smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(NC(=O)c1csc(I)c1Br)c1cccs1 ZINC001360323870 1065162238 /nfs/dbraw/zinc/16/22/38/1065162238.db2.gz JETDHKCDLJHMMG-UHFFFAOYSA-N 0 0 456.168 4.842 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359712600 1064261408 /nfs/dbraw/zinc/26/14/08/1064261408.db2.gz ZVSMBZAGJBRWDV-QFIPXVFZSA-N 0 0 486.039 4.609 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCc1csc(C(C)(C)C)n1 ZINC001545851295 1064261689 /nfs/dbraw/zinc/26/16/89/1064261689.db2.gz BIAIYDJIXFTEFH-SJORKVTESA-N 0 0 460.692 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC1CCC(F)(F)CC1 ZINC001545851606 1064261744 /nfs/dbraw/zinc/26/17/44/1064261744.db2.gz GTLWAZFVFPSWNH-PGRDOPGGSA-N 0 0 489.611 4.988 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1CCC(F)(F)CC1 ZINC001545851605 1064261812 /nfs/dbraw/zinc/26/18/12/1064261812.db2.gz GTLWAZFVFPSWNH-GCJKJVERSA-N 0 0 489.611 4.988 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359713493 1064261856 /nfs/dbraw/zinc/26/18/56/1064261856.db2.gz OMXDPFOMIVKFFU-KRWDZBQOSA-N 0 0 451.587 4.641 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCC[C@@H]1CCCCO1 ZINC001359713419 1064262005 /nfs/dbraw/zinc/26/20/05/1064262005.db2.gz LQHLDAJIRFVZSD-SFHVURJKSA-N 0 0 478.012 4.506 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545852046 1064262264 /nfs/dbraw/zinc/26/22/64/1064262264.db2.gz NEWWRMOJTFVXFH-CYFREDJKSA-N 0 0 497.684 4.564 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359714221 1064262413 /nfs/dbraw/zinc/26/24/13/1064262413.db2.gz OESLDWPFDSFEEB-UHFFFAOYSA-N 0 0 477.575 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC1CC(C)(C)C1 ZINC001545852142 1064262417 /nfs/dbraw/zinc/26/24/17/1064262417.db2.gz OHLFSAUCTWORCX-PGRDOPGGSA-N 0 0 453.631 4.599 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359713939 1064262451 /nfs/dbraw/zinc/26/24/51/1064262451.db2.gz DVKIBEJPXKCKTF-UHFFFAOYSA-N 0 0 493.574 4.967 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359714375 1064262891 /nfs/dbraw/zinc/26/28/91/1064262891.db2.gz UJMLCVFNHCSPRQ-VWNXMTODSA-N 0 0 473.706 4.862 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359715316 1064263195 /nfs/dbraw/zinc/26/31/95/1064263195.db2.gz XHRUFHUQDZKNHK-KRWDZBQOSA-N 0 0 497.562 4.837 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359715008 1064263216 /nfs/dbraw/zinc/26/32/16/1064263216.db2.gz NMSVGGVMMFEZOX-INIZCTEOSA-N 0 0 482.000 4.719 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359715636 1064263879 /nfs/dbraw/zinc/26/38/79/1064263879.db2.gz HGBLSFBCCQCVKZ-CRAIPNDOSA-N 0 0 453.484 4.687 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1[C@H]1C[C@H](c2ccccc2C)C1 ZINC001545855441 1064264040 /nfs/dbraw/zinc/26/40/40/1064264040.db2.gz VZIQGENTIFOJKU-YUNDZKQISA-N 0 0 455.672 4.954 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359715776 1064264379 /nfs/dbraw/zinc/26/43/79/1064264379.db2.gz LEJMYUXRBHSRAB-NIYFSFCBSA-N 0 0 475.628 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CC(CC)(CC)OC ZINC001545856479 1064264498 /nfs/dbraw/zinc/26/44/98/1064264498.db2.gz ALMAWUVIOFBROK-UHFFFAOYSA-N 0 0 492.462 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001545856595 1064264508 /nfs/dbraw/zinc/26/45/08/1064264508.db2.gz DJJVSAKOPAOYBJ-INIZCTEOSA-N 0 0 450.587 4.612 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCc1nc(C)c(C)s1 ZINC001545856516 1064264600 /nfs/dbraw/zinc/26/46/00/1064264600.db2.gz BGIRQTYHTKIPNV-LJQANCHMSA-N 0 0 458.676 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1Cc1cccc(Br)n1 ZINC001545856868 1064264969 /nfs/dbraw/zinc/26/49/69/1064264969.db2.gz JXPFCUZVPRTVLS-SFHVURJKSA-N 0 0 489.462 4.561 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3C3(CCC3)C2)n1C[C@@H](OC)[C@@H](C)CC ZINC001545856879 1064264993 /nfs/dbraw/zinc/26/49/93/1064264993.db2.gz KEKZXIDJEYMPPU-WMZHIEFXSA-N 0 0 467.658 4.700 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCc1cc(C)ccc1OC ZINC001545856908 1064265031 /nfs/dbraw/zinc/26/50/31/1064265031.db2.gz KSYOZSMXTNHKRX-JOCHJYFZSA-N 0 0 467.658 4.915 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1Cc1cnn(CC(C)C)c1C ZINC001545856856 1064265043 /nfs/dbraw/zinc/26/50/43/1064265043.db2.gz JSXMIZIXYFJMNU-JOCHJYFZSA-N 0 0 469.678 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC1CCC(OC)CC1 ZINC001545857465 1064266403 /nfs/dbraw/zinc/26/64/03/1064266403.db2.gz XDJNZGWDALAULS-UHFFFAOYSA-N 0 0 471.646 4.584 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359719585 1064266737 /nfs/dbraw/zinc/26/67/37/1064266737.db2.gz QHTMFZDWSODWPL-KRWDZBQOSA-N 0 0 492.521 4.849 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCc1ccccc1OC(F)F ZINC001359719101 1064266797 /nfs/dbraw/zinc/26/67/97/1064266797.db2.gz BZICDNJEZVFCIP-UHFFFAOYSA-N 0 0 461.582 4.629 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCCCOc1ccc(F)cc1 ZINC001359719592 1064266858 /nfs/dbraw/zinc/26/68/58/1064266858.db2.gz QKFPNXDPRYMELD-UHFFFAOYSA-N 0 0 457.619 4.784 20 0 JJADRN C[C@H](CONC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858723 1064267020 /nfs/dbraw/zinc/26/70/20/1064267020.db2.gz WBNSILVHPYRGPF-MRXNPFEDSA-N 0 0 455.530 4.868 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359719704 1064267468 /nfs/dbraw/zinc/26/74/68/1064267468.db2.gz UWDNNEPPGVNWQE-GOSISDBHSA-N 0 0 492.590 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1Cc1csc(C)c1 ZINC001545859694 1064267968 /nfs/dbraw/zinc/26/79/68/1064267968.db2.gz RPYZQJLMCMEMIY-UHFFFAOYSA-N 0 0 465.623 4.614 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1Cc1nnc(C(C)(C)C)s1 ZINC001545859610 1064268235 /nfs/dbraw/zinc/26/82/35/1064268235.db2.gz PZKUIQOMFWJPMP-AEFFLSMTSA-N 0 0 473.691 4.553 20 0 JJADRN CC(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359722466 1064268527 /nfs/dbraw/zinc/26/85/27/1064268527.db2.gz UZTNZSYIFGZUAV-CHWSQXEVSA-N 0 0 450.431 4.931 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001545859849 1064268605 /nfs/dbraw/zinc/26/86/05/1064268605.db2.gz VQNDGKYMKLQYLX-SANMLTNESA-N 0 0 459.679 4.710 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC1CCOCC1 ZINC001359722702 1064269043 /nfs/dbraw/zinc/26/90/43/1064269043.db2.gz ASKSLCGDNQWGLK-FQEVSTJZSA-N 0 0 452.521 4.815 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H]1CCC[C@H](O)C1 ZINC001359723077 1064269576 /nfs/dbraw/zinc/26/95/76/1064269576.db2.gz JLDISXGBJVAELZ-VDGAXYAQSA-N 0 0 452.521 4.549 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)NCCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001545861711 1064269701 /nfs/dbraw/zinc/26/97/01/1064269701.db2.gz OEUFLNFQIIAXHQ-UHFFFAOYSA-N 0 0 458.514 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001545862524 1064270157 /nfs/dbraw/zinc/27/01/57/1064270157.db2.gz LMXPIBOVDHFBKC-HNNXBMFYSA-N 0 0 492.455 4.682 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1Cc1ccncc1Cl ZINC001359723288 1064270164 /nfs/dbraw/zinc/27/01/64/1064270164.db2.gz OLRSPUTYBNXHCK-IBGZPJMESA-N 0 0 450.345 4.869 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001359723240 1064270287 /nfs/dbraw/zinc/27/02/87/1064270287.db2.gz NEHUKWUFWYFXAU-WVBUVRCRSA-N 0 0 452.521 4.549 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359723192 1064270312 /nfs/dbraw/zinc/27/03/12/1064270312.db2.gz MAPPYKOGKMMDPD-XLIONFOSSA-N 0 0 478.037 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCn1c(C)nc2ccccc21 ZINC001545862488 1064270330 /nfs/dbraw/zinc/27/03/30/1064270330.db2.gz KNHRZQFUFDKLCH-FQEVSTJZSA-N 0 0 479.673 4.817 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CC1(O)CCCCC1 ZINC001359723625 1064270653 /nfs/dbraw/zinc/27/06/53/1064270653.db2.gz VWOYYPQMCPNTEU-IBGZPJMESA-N 0 0 453.414 4.981 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1Cc1nccn1C(F)F ZINC001359723420 1064270815 /nfs/dbraw/zinc/27/08/15/1064270815.db2.gz RNGZRQPKDXFJEE-MRXNPFEDSA-N 0 0 470.446 4.638 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359723778 1064271365 /nfs/dbraw/zinc/27/13/65/1064271365.db2.gz YQUCMLJVLNGNTG-QRWLVFNGSA-N 0 0 453.033 4.664 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CCOc1ccc(Cl)cn1 ZINC001359724290 1064271670 /nfs/dbraw/zinc/27/16/70/1064271670.db2.gz KAUZTTYYORSZLP-IBGZPJMESA-N 0 0 493.942 4.708 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCCN1CCCCCC1=O ZINC001359724110 1064271842 /nfs/dbraw/zinc/27/18/42/1064271842.db2.gz GGQKJJOPQXSYHW-IBGZPJMESA-N 0 0 488.702 4.526 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001359724400 1064271887 /nfs/dbraw/zinc/27/18/87/1064271887.db2.gz MCKMHIDTULXSQH-CLOONOSVSA-N 0 0 469.655 4.641 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1ccccc1Cl ZINC001545863779 1064271805 /nfs/dbraw/zinc/27/18/05/1064271805.db2.gz AUXFHTUNIHBUGE-UHFFFAOYSA-N 0 0 471.955 4.871 20 0 JJADRN Cc1c(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cnn1CC(C)C ZINC001545863623 1064271873 /nfs/dbraw/zinc/27/18/73/1064271873.db2.gz VKDDDWZBUZONGM-UHFFFAOYSA-N 0 0 459.344 4.637 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCCN1CCCCCC1=O ZINC001359724111 1064271928 /nfs/dbraw/zinc/27/19/28/1064271928.db2.gz GGQKJJOPQXSYHW-LJQANCHMSA-N 0 0 488.702 4.526 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@H]1CCCS1 ZINC001359724566 1064272331 /nfs/dbraw/zinc/27/23/31/1064272331.db2.gz PRQIMKURYSSGNK-QAPCUYQASA-N 0 0 451.434 4.638 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@@H]1CCCS1 ZINC001359724567 1064272351 /nfs/dbraw/zinc/27/23/51/1064272351.db2.gz PRQIMKURYSSGNK-YJBOKZPZSA-N 0 0 451.434 4.638 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001545864774 1064272452 /nfs/dbraw/zinc/27/24/52/1064272452.db2.gz CFCSJNTYFCSIFU-UHFFFAOYSA-N 0 0 452.780 4.817 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(Br)C2)n1CCC1=CCCCC1 ZINC001545865441 1064273042 /nfs/dbraw/zinc/27/30/42/1064273042.db2.gz BNYLWOHFEYPKEH-UHFFFAOYSA-N 0 0 464.452 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(Br)C2)n1CC(C)(C)C(C)C ZINC001545865448 1064273172 /nfs/dbraw/zinc/27/31/72/1064273172.db2.gz BQGVFXINWVZNQH-UHFFFAOYSA-N 0 0 454.457 4.758 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001545865608 1064273805 /nfs/dbraw/zinc/27/38/05/1064273805.db2.gz HDNPDZVMLGJFBQ-IBGZPJMESA-N 0 0 482.673 4.834 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359727318 1064274135 /nfs/dbraw/zinc/27/41/35/1064274135.db2.gz PKFFBQSMSGMNJX-CEMLEFRQSA-N 0 0 471.621 4.991 20 0 JJADRN CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC1CCC(F)(F)CC1 ZINC001359728004 1064274875 /nfs/dbraw/zinc/27/48/75/1064274875.db2.gz PAEDDVCMRCDSRU-HDICACEKSA-N 0 0 453.578 4.530 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(C(C)(C)C)no3)CC2)n1 ZINC001359728288 1064275490 /nfs/dbraw/zinc/27/54/90/1064275490.db2.gz ASDHILMDJNYNJY-GOSISDBHSA-N 0 0 498.676 4.590 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359728429 1064275851 /nfs/dbraw/zinc/27/58/51/1064275851.db2.gz CVTFFPAYSGNHSO-IBGZPJMESA-N 0 0 458.628 4.777 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001545867482 1064277262 /nfs/dbraw/zinc/27/72/62/1064277262.db2.gz CLXXUFIAZGSNMK-QZTJIDSGSA-N 0 0 495.590 4.806 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1Cc1ccccc1C(F)(F)F ZINC001545867491 1064277279 /nfs/dbraw/zinc/27/72/79/1064277279.db2.gz COSLRDPXRBMIOH-HNAYVOBHSA-N 0 0 451.537 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](OC)c1ccccc1 ZINC001545867510 1064277331 /nfs/dbraw/zinc/27/73/31/1064277331.db2.gz CVFLIEIECNHTQW-KNQAVFIVSA-N 0 0 453.631 4.601 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001359728736 1064277402 /nfs/dbraw/zinc/27/74/02/1064277402.db2.gz KARLGZYUNKZBBE-MQSCRBSSSA-N 0 0 488.076 4.795 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4)n3CC(C)(C)C(F)(F)F)CC2)n1 ZINC001359728901 1064277842 /nfs/dbraw/zinc/27/78/42/1064277842.db2.gz OAKCOKBVIQPOMV-QGZVFWFLSA-N 0 0 491.562 4.923 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001545867758 1064278035 /nfs/dbraw/zinc/27/80/35/1064278035.db2.gz HCUGKWYBAHRKNT-OALUTQOASA-N 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Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)C[C@H]3OCc4ccccc43)cc2Cl)n1 ZINC001434896998 1064325538 /nfs/dbraw/zinc/32/55/38/1064325538.db2.gz NFEFVSREQHJNHF-OPAMFIHVSA-N 0 0 452.942 4.953 20 0 JJADRN CCO[C@@H](C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@@H]1CCOC1 ZINC001434897962 1064326230 /nfs/dbraw/zinc/32/62/30/1064326230.db2.gz UUAILWDOHMSATR-OXQOHEQNSA-N 0 0 451.441 4.613 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001359747144 1064326152 /nfs/dbraw/zinc/32/61/52/1064326152.db2.gz UUXQMKKFBNMZIO-RTBURBONSA-N 0 0 481.410 4.523 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CCOCC2)CCO1 ZINC001359747160 1064326526 /nfs/dbraw/zinc/32/65/26/1064326526.db2.gz VHCZZTLTNBQVEI-HXUWFJFHSA-N 0 0 481.410 4.525 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CCOCC2)CCO1 ZINC001359747159 1064326549 /nfs/dbraw/zinc/32/65/49/1064326549.db2.gz VHCZZTLTNBQVEI-FQEVSTJZSA-N 0 0 481.410 4.525 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c1 ZINC001434898960 1064326910 /nfs/dbraw/zinc/32/69/10/1064326910.db2.gz XZLZZLIFCFLBRH-DGQTTZFYSA-N 0 0 459.587 4.557 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(COC(C)(C)C)on2)CCO1 ZINC001359747315 1064327370 /nfs/dbraw/zinc/32/73/70/1064327370.db2.gz YUFPTWXSNJELOD-NRFANRHFSA-N 0 0 474.005 4.811 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001359747264 1064327650 /nfs/dbraw/zinc/32/76/50/1064327650.db2.gz XKVDUHKTVWROEZ-ZJSXRUAMSA-N 0 0 491.474 4.900 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)cc2Cl)n1 ZINC001434899544 1064327701 /nfs/dbraw/zinc/32/77/01/1064327701.db2.gz WNTYRHCFZOHQCA-TXCZRRACSA-N 0 0 450.917 4.973 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cn4cc(C)ccc4n3)cc2Cl)n1 ZINC001434899500 1064327830 /nfs/dbraw/zinc/32/78/30/1064327830.db2.gz WMLMSNNYGLZWFP-INIZCTEOSA-N 0 0 450.930 4.561 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC001434901554 1064328966 /nfs/dbraw/zinc/32/89/66/1064328966.db2.gz PJYYDHYEMBRFID-IRXDYDNUSA-N 0 0 453.539 4.720 20 0 JJADRN COc1ccc(I)c(NC(=O)c2cc(Br)c(C)s2)c1 ZINC001434922173 1064350397 /nfs/dbraw/zinc/35/03/97/1064350397.db2.gz XYQKJWZSQOOVQN-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCS1 ZINC001359747570 1064329716 /nfs/dbraw/zinc/32/97/16/1064329716.db2.gz DTRHRJROFPVXLT-UYAOXDASSA-N 0 0 459.660 4.778 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC(=O)Cc1ccc(F)cc1Br)c1ccccc1 ZINC001434901827 1064329833 /nfs/dbraw/zinc/32/98/33/1064329833.db2.gz VXDGZIOLBFZDTI-QFIPXVFZSA-N 0 0 452.327 4.923 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2n1 ZINC001434902980 1064330402 /nfs/dbraw/zinc/33/04/02/1064330402.db2.gz ZQRUWEGYBMBDFR-KSFYIVLOSA-N 0 0 457.361 4.766 20 0 JJADRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CC(C)(C)NC(=O)OCc1ccccc1 ZINC001434903785 1064331287 /nfs/dbraw/zinc/33/12/87/1064331287.db2.gz AXBXDZVIKRBHAM-UHFFFAOYSA-N 0 0 451.567 4.701 20 0 JJADRN C[C@H](O)C(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001545887635 1064331375 /nfs/dbraw/zinc/33/13/75/1064331375.db2.gz LJPWRBYDOJJMTP-KRWDZBQOSA-N 0 0 452.624 4.600 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2n1 ZINC001434902982 1064331441 /nfs/dbraw/zinc/33/14/41/1064331441.db2.gz ZQRUWEGYBMBDFR-ZHRRBRCNSA-N 0 0 457.361 4.766 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)c1 ZINC001434904304 1064331932 /nfs/dbraw/zinc/33/19/32/1064331932.db2.gz QSOYVJAIBSYJCB-NHCUHLMSSA-N 0 0 457.574 4.791 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC001434904507 1064331943 /nfs/dbraw/zinc/33/19/43/1064331943.db2.gz JCVVVTXVURJUKX-ORAYPTAESA-N 0 0 455.407 4.975 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NC2CCCCC2)CCO1 ZINC001359748092 1064332041 /nfs/dbraw/zinc/33/20/41/1064332041.db2.gz OGCCKUCOUZTFOJ-HXUWFJFHSA-N 0 0 480.440 4.562 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccnc(N2CCCCC2)n1 ZINC001434905154 1064332535 /nfs/dbraw/zinc/33/25/35/1064332535.db2.gz DBXAOVISUULWCX-NRFANRHFSA-N 0 0 451.368 4.749 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCOC(F)(F)F)CCO1 ZINC001359748124 1064332722 /nfs/dbraw/zinc/33/27/22/1064332722.db2.gz PASDRGMSVRVTER-LBPRGKRZSA-N 0 0 483.354 4.557 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCCO)CCO1 ZINC001359748158 1064332734 /nfs/dbraw/zinc/33/27/34/1064332734.db2.gz PNYMZCIDNDKMEL-LJQANCHMSA-N 0 0 485.854 4.775 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)n2)cc1 ZINC001434906328 1064333232 /nfs/dbraw/zinc/33/32/32/1064333232.db2.gz JQRDUYNEUVFXNT-GBXCKJPGSA-N 0 0 469.632 4.757 20 0 JJADRN Cc1ccc(OC[C@H](C)NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cc1 ZINC001434905736 1064333316 /nfs/dbraw/zinc/33/33/16/1064333316.db2.gz HJFNCMJDQWZINE-PXNSSMCTSA-N 0 0 452.473 4.516 20 0 JJADRN O=C(Cc1ccccc1I)NCCOc1ccccc1-c1ccccc1 ZINC001434905291 1064333326 /nfs/dbraw/zinc/33/33/26/1064333326.db2.gz MQSXCXHIOCDMKW-UHFFFAOYSA-N 0 0 457.311 4.696 20 0 JJADRN CCC[C@@H](NC(=O)c1cn(C)nc1I)c1ccc(Cl)c(Cl)c1 ZINC001434907228 1064334677 /nfs/dbraw/zinc/33/46/77/1064334677.db2.gz ZRLSONMQRBPZRS-CYBMUJFWSA-N 0 0 452.123 4.603 20 0 JJADRN COc1ccc(C)cc1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001434907583 1064334698 /nfs/dbraw/zinc/33/46/98/1064334698.db2.gz SQUQEJVDCWNPGI-RTWAWAEBSA-N 0 0 458.986 4.924 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCCNC(=O)OC(C)(C)C)CCO1 ZINC001359748489 1064334783 /nfs/dbraw/zinc/33/47/83/1064334783.db2.gz WOYFKTJPXIRLBD-HSZRJFAPSA-N 0 0 494.640 4.659 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCS1 ZINC001359748453 1064334830 /nfs/dbraw/zinc/33/48/30/1064334830.db2.gz VZKVLUDLRFXDTI-NRFANRHFSA-N 0 0 471.671 4.922 20 0 JJADRN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2nnn(-c3ccccc3Br)c2C)c1C ZINC001434909046 1064335167 /nfs/dbraw/zinc/33/51/67/1064335167.db2.gz HBIJAKPZULJNEX-UHFFFAOYSA-N 0 0 452.356 4.675 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001434908729 1064335385 /nfs/dbraw/zinc/33/53/85/1064335385.db2.gz DEZSQSNCBOIBQZ-OUXDILKSSA-N 0 0 454.998 4.837 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)CCO1 ZINC001359748542 1064335418 /nfs/dbraw/zinc/33/54/18/1064335418.db2.gz XSGILZCXTBLURF-HXUWFJFHSA-N 0 0 450.574 4.776 20 0 JJADRN CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)c2ccccc21 ZINC001434909651 1064336294 /nfs/dbraw/zinc/33/62/94/1064336294.db2.gz IPFVTWWIAOGHNR-SFTDATJTSA-N 0 0 455.396 4.983 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)nc2)cc1 ZINC001434909392 1064336310 /nfs/dbraw/zinc/33/63/10/1064336310.db2.gz IIBVLOLSSJPDJK-UHFFFAOYSA-N 0 0 455.308 4.646 20 0 JJADRN O=C(NCCc1cc(Br)ccc1F)[C@H]1CCOc2ccc(Br)cc21 ZINC001434910315 1064336839 /nfs/dbraw/zinc/33/68/39/1064336839.db2.gz ROGOTSRZTYBCEV-AWEZNQCLSA-N 0 0 457.137 4.576 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359749628 1064337936 /nfs/dbraw/zinc/33/79/36/1064337936.db2.gz VMPSZYPCQUXZEK-TZIWHRDSSA-N 0 0 488.702 4.509 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359749747 1064337988 /nfs/dbraw/zinc/33/79/88/1064337988.db2.gz YEQFEXSWUGEEDP-FQEVSTJZSA-N 0 0 479.572 4.978 20 0 JJADRN COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)Cc1nc(C)c(C)s1)CC2 ZINC001434912007 1064338293 /nfs/dbraw/zinc/33/82/93/1064338293.db2.gz INCUGFQWPOQLMA-UHFFFAOYSA-N 0 0 451.592 4.517 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC001434912100 1064338447 /nfs/dbraw/zinc/33/84/47/1064338447.db2.gz TZRKFAUCVQKQSA-QHCPKHFHSA-N 0 0 451.567 4.984 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CCS1 ZINC001359750131 1064338503 /nfs/dbraw/zinc/33/85/03/1064338503.db2.gz GGVJWGMKXROBDB-PMACEKPBSA-N 0 0 459.660 4.718 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccsc2Br)CCS1 ZINC001359749958 1064338613 /nfs/dbraw/zinc/33/86/13/1064338613.db2.gz CHBGBKBJUGQWEQ-HOTGVXAUSA-N 0 0 471.490 4.970 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCC3)n2CCc2cc(Br)ccc2F)CCO1 ZINC001359749902 1064338668 /nfs/dbraw/zinc/33/86/68/1064338668.db2.gz BOUWELDGSYRGSQ-LJQANCHMSA-N 0 0 451.384 4.551 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)CCS1 ZINC001359749996 1064338708 /nfs/dbraw/zinc/33/87/08/1064338708.db2.gz CVVIMIGTKCPQID-QFIPXVFZSA-N 0 0 476.712 4.519 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c2ccccc21 ZINC001434912475 1064338880 /nfs/dbraw/zinc/33/88/80/1064338880.db2.gz UKZRWHHOSZEYCJ-HXUWFJFHSA-N 0 0 454.617 4.685 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001434912397 1064339091 /nfs/dbraw/zinc/33/90/91/1064339091.db2.gz JKVBRAIHQIULRC-GMAHTHKFSA-N 0 0 454.542 4.848 20 0 JJADRN CC(C)n1ccc(CC(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)n1 ZINC001434912530 1064339104 /nfs/dbraw/zinc/33/91/04/1064339104.db2.gz VGAGMYIKCNZFOG-UHFFFAOYSA-N 0 0 458.437 4.972 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCS1 ZINC001359750463 1064339599 /nfs/dbraw/zinc/33/95/99/1064339599.db2.gz MYDXSAXUVIRGNV-GOSISDBHSA-N 0 0 451.681 4.817 20 0 JJADRN COCc1cncc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 ZINC001434913452 1064339724 /nfs/dbraw/zinc/33/97/24/1064339724.db2.gz ZRYZNQQBPNCTTE-UHFFFAOYSA-N 0 0 457.405 4.807 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)CN(C)C(=O)OCc2ccccc2)cc1 ZINC001434913024 1064339931 /nfs/dbraw/zinc/33/99/31/1064339931.db2.gz MEWAKTWODDQUBF-DEOSSOPVSA-N 0 0 450.510 4.503 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359751775 1064340210 /nfs/dbraw/zinc/34/02/10/1064340210.db2.gz JEOYQZIOVLNPTR-LEWJYISDSA-N 0 0 498.615 4.877 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)cc1 ZINC001434913930 1064340485 /nfs/dbraw/zinc/34/04/85/1064340485.db2.gz DDWIIVPTFUMUMQ-HNNXBMFYSA-N 0 0 455.356 4.670 20 0 JJADRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cn(-c2ccc(F)cc2C)nn1 ZINC001434914108 1064340538 /nfs/dbraw/zinc/34/05/38/1064340538.db2.gz SPQCJEAFZMJFGM-UHFFFAOYSA-N 0 0 450.445 4.694 20 0 JJADRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC001434914472 1064341132 /nfs/dbraw/zinc/34/11/32/1064341132.db2.gz HOEBVJPQMUUYAT-UHFFFAOYSA-N 0 0 454.155 4.967 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)c(F)c2)CCS1 ZINC001359753013 1064341728 /nfs/dbraw/zinc/34/17/28/1064341728.db2.gz AXKWNUHANBSCER-FQEVSTJZSA-N 0 0 477.556 4.631 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)CC1=O ZINC001434915709 1064342851 /nfs/dbraw/zinc/34/28/51/1064342851.db2.gz MSFBXEKGPLRWLV-QUCCMNQESA-N 0 0 457.530 4.806 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)CCS1 ZINC001359753712 1064343630 /nfs/dbraw/zinc/34/36/30/1064343630.db2.gz OHHHMVBGPFZMFX-OAQYLSRUSA-N 0 0 490.117 4.749 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)(F)F)CCS1 ZINC001359753843 1064343840 /nfs/dbraw/zinc/34/38/40/1064343840.db2.gz SEAZPOJAMONNDT-FQEVSTJZSA-N 0 0 477.556 4.789 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)nc1 ZINC001434917985 1064345059 /nfs/dbraw/zinc/34/50/59/1064345059.db2.gz DTVVZNZHCAULHO-UHFFFAOYSA-N 0 0 459.546 4.889 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCc2nc(C(F)(F)F)cs2)CCO1 ZINC001359754236 1064345001 /nfs/dbraw/zinc/34/50/01/1064345001.db2.gz ANJZYBBGXAFJJB-SFHVURJKSA-N 0 0 479.572 4.643 20 0 JJADRN CCc1cc(C(=O)Nc2cc(Br)ccc2-n2cncn2)c2c(n1)onc2C(C)C ZINC001434918698 1064345488 /nfs/dbraw/zinc/34/54/88/1064345488.db2.gz VHUVCUHYZIVMRU-UHFFFAOYSA-N 0 0 455.316 4.504 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCS1 ZINC001359754666 1064345838 /nfs/dbraw/zinc/34/58/38/1064345838.db2.gz JRCZMDVXQKUIFL-LJQANCHMSA-N 0 0 465.708 4.892 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCS1 ZINC001359755092 1064347289 /nfs/dbraw/zinc/34/72/89/1064347289.db2.gz SEUKRUJTCFZXDO-WIYYLYMNSA-N 0 0 499.578 4.600 20 0 JJADRN CC(C)(CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC001434919709 1064347351 /nfs/dbraw/zinc/34/73/51/1064347351.db2.gz GTCJGDKVBAYEBF-UHFFFAOYSA-N 0 0 450.341 4.705 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001434920474 1064347712 /nfs/dbraw/zinc/34/77/12/1064347712.db2.gz KBFAYTBAITVRRA-NEKDWFFYSA-N 0 0 458.602 4.556 20 0 JJADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N(C)c2ccccc2Oc2ccccc2)cc1 ZINC001434921307 1064349719 /nfs/dbraw/zinc/34/97/19/1064349719.db2.gz STRSXQLGBQGAQS-UHFFFAOYSA-N 0 0 454.473 4.701 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC001434922383 1064350537 /nfs/dbraw/zinc/35/05/37/1064350537.db2.gz PEWFKQJRPBQJPD-GOSISDBHSA-N 0 0 451.336 4.513 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccsc1 ZINC001359755894 1064350972 /nfs/dbraw/zinc/35/09/72/1064350972.db2.gz IEOBIHOVCPZFIO-MAUKXSAKSA-N 0 0 464.433 4.795 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)CCO1 ZINC001359755882 1064351086 /nfs/dbraw/zinc/35/10/86/1064351086.db2.gz HZRMHZUQRBUJQF-NIJIEXERSA-N 0 0 483.440 4.576 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCCOC1 ZINC001434922604 1064351368 /nfs/dbraw/zinc/35/13/68/1064351368.db2.gz RFAGNYYANKJFDH-JOCHJYFZSA-N 0 0 459.414 4.709 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)ccc21 ZINC001434924693 1064352753 /nfs/dbraw/zinc/35/27/53/1064352753.db2.gz PLNOLVWOQLEOJX-UHFFFAOYSA-N 0 0 457.317 4.949 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc21 ZINC001434925734 1064353798 /nfs/dbraw/zinc/35/37/98/1064353798.db2.gz YNQPQBHFKYOIQQ-OAQYLSRUSA-N 0 0 459.587 4.718 20 0 JJADRN 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O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cccc(OCC(F)F)n1 ZINC001434928872 1064356316 /nfs/dbraw/zinc/35/63/16/1064356316.db2.gz UMTPSMRJFCSASD-UHFFFAOYSA-N 0 0 457.864 4.721 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001434929497 1064356431 /nfs/dbraw/zinc/35/64/31/1064356431.db2.gz RTZRDUJRYWSOOC-OAQYLSRUSA-N 0 0 457.876 4.972 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359757226 1064356799 /nfs/dbraw/zinc/35/67/99/1064356799.db2.gz FCLOTNKLNAGVOZ-KNKQGSTJSA-N 0 0 488.076 4.791 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001359757307 1064357045 /nfs/dbraw/zinc/35/70/45/1064357045.db2.gz GFVIGLYJHCFALA-QZCPTFHJSA-N 0 0 469.374 4.702 20 0 JJADRN O=C(Nc1ccnn1CCc1ccccc1)c1cc(Br)sc1Br ZINC001434929879 1064356873 /nfs/dbraw/zinc/35/68/73/1064356873.db2.gz NVWWMELTNIBOFK-UHFFFAOYSA-N 0 0 455.175 4.965 20 0 JJADRN C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC001434930127 1064357110 /nfs/dbraw/zinc/35/71/10/1064357110.db2.gz KEXKOEVGZBCMAH-AWEZNQCLSA-N 0 0 456.867 4.976 20 0 JJADRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c2)C1 ZINC001434929656 1064357123 /nfs/dbraw/zinc/35/71/23/1064357123.db2.gz QZJCIBCFVOIIKQ-WIYYLYMNSA-N 0 0 454.567 4.538 20 0 JJADRN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c2)C1 ZINC001434929648 1064357173 /nfs/dbraw/zinc/35/71/73/1064357173.db2.gz QZJCIBCFVOIIKQ-NQIIRXRSSA-N 0 0 454.567 4.538 20 0 JJADRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001434930379 1064357456 /nfs/dbraw/zinc/35/74/56/1064357456.db2.gz XISAXSZYBHXGAR-UHFFFAOYSA-N 0 0 456.384 4.846 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757514 1064357594 /nfs/dbraw/zinc/35/75/94/1064357594.db2.gz IFCIROYVSVUEDM-XMSQKQJNSA-N 0 0 455.990 4.570 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001434931260 1064358277 /nfs/dbraw/zinc/35/82/77/1064358277.db2.gz YIYLRKFLOBAPEW-OALUTQOASA-N 0 0 459.546 4.791 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCOCC1 ZINC001359757612 1064358418 /nfs/dbraw/zinc/35/84/18/1064358418.db2.gz JMRDYSXKFCAZAW-NQIIRXRSSA-N 0 0 477.447 4.632 20 0 JJADRN CC[C@@H](SC)C(=O)Nc1ccccc1NC(=O)c1ccccc1I ZINC001434932737 1064359244 /nfs/dbraw/zinc/35/92/44/1064359244.db2.gz RWWUFDUDYUWSOW-MRXNPFEDSA-N 0 0 454.333 4.624 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(F)(F)F ZINC001359757836 1064359241 /nfs/dbraw/zinc/35/92/41/1064359241.db2.gz LRHWBIQWTCRQFV-PXNSSMCTSA-N 0 0 462.520 4.581 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359758562 1064360398 /nfs/dbraw/zinc/36/03/98/1064360398.db2.gz VVKZTFTXWKMSLK-NWSQWKLXSA-N 0 0 498.672 4.531 20 0 JJADRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001434934764 1064360491 /nfs/dbraw/zinc/36/04/91/1064360491.db2.gz YMCOZLQRJICAGO-NJDAHSKKSA-N 0 0 456.652 4.839 20 0 JJADRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001434934766 1064360556 /nfs/dbraw/zinc/36/05/56/1064360556.db2.gz YMCOZLQRJICAGO-NJYVYQBISA-N 0 0 456.652 4.839 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001359758472 1064360601 /nfs/dbraw/zinc/36/06/01/1064360601.db2.gz UXVDMMSZLJCKLT-ZCYQVOJMSA-N 0 0 497.684 4.633 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759007 1064361201 /nfs/dbraw/zinc/36/12/01/1064361201.db2.gz BQAHJRSDTYZGGG-OFNKIYASSA-N 0 0 471.552 4.563 20 0 JJADRN COc1cc(C)ccc1NC(=O)c1cc(I)ccc1N1CCCCC1 ZINC001434937007 1064361927 /nfs/dbraw/zinc/36/19/27/1064361927.db2.gz IHIBAOFQLYQEGV-UHFFFAOYSA-N 0 0 450.320 4.851 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)c3cnn(-c4cccc(Br)c4)c3)cc2)cs1 ZINC001434937589 1064362026 /nfs/dbraw/zinc/36/20/26/1064362026.db2.gz KXDVCTGEZIRMCP-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN CCOc1ccc(OCCCC(=O)N(CC)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001434938711 1064362506 /nfs/dbraw/zinc/36/25/06/1064362506.db2.gz XMTWXWIOHAMORH-UHFFFAOYSA-N 0 0 459.486 4.591 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)NC3(c4ccc(Br)cc4)CCC3)CC2=O)cc1 ZINC001434941087 1064363403 /nfs/dbraw/zinc/36/34/03/1064363403.db2.gz DSXYJELTVQFLTN-SFHVURJKSA-N 0 0 455.396 4.950 20 0 JJADRN COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)C1CCCC1 ZINC001434941224 1064363454 /nfs/dbraw/zinc/36/34/54/1064363454.db2.gz YJINAZKEXAWPDA-UHFFFAOYSA-N 0 0 454.571 4.583 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001359759331 1064363470 /nfs/dbraw/zinc/36/34/70/1064363470.db2.gz GRHYPSZYNBKHIU-ROKPMTFOSA-N 0 0 474.621 4.841 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359759460 1064364289 /nfs/dbraw/zinc/36/42/89/1064364289.db2.gz IDRHEVNQTJJYMC-XXBNENTESA-N 0 0 484.442 4.724 20 0 JJADRN CN(C(=O)c1cc(Cl)c(F)cc1Br)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001434942524 1064364305 /nfs/dbraw/zinc/36/43/05/1064364305.db2.gz BDGMJQIWWMMELD-SFHVURJKSA-N 0 0 454.702 4.976 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001434941711 1064364344 /nfs/dbraw/zinc/36/43/44/1064364344.db2.gz DDGRKKQADZPKLY-KBXCAEBGSA-N 0 0 454.311 4.702 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001359759443 1064364373 /nfs/dbraw/zinc/36/43/73/1064364373.db2.gz IAPJWCAANICRFD-WHZJULEDSA-N 0 0 461.651 4.503 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C ZINC001359759682 1064364686 /nfs/dbraw/zinc/36/46/86/1064364686.db2.gz KUYCGKBAUIHZDY-FVJLSDCUSA-N 0 0 463.420 4.669 20 0 JJADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001434943606 1064364881 /nfs/dbraw/zinc/36/48/81/1064364881.db2.gz MGZGDOXYSMRHIE-HSZRJFAPSA-N 0 0 451.567 4.511 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1 ZINC001359759743 1064365624 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ZINC001434950032 1064370386 /nfs/dbraw/zinc/37/03/86/1064370386.db2.gz PLSQUXDRYOQDIO-ZDUSSCGKSA-N 0 0 455.864 4.596 20 0 JJADRN CCCc1c(C(=O)Nc2ccccc2CN2CCCC2=O)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001434949908 1064370507 /nfs/dbraw/zinc/37/05/07/1064370507.db2.gz QAIAJKWLNXYPFL-UHFFFAOYSA-N 0 0 459.594 4.892 20 0 JJADRN CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950699 1064372068 /nfs/dbraw/zinc/37/20/68/1064372068.db2.gz VPSANCOGDMLVAV-JTAQYXEDSA-N 0 0 455.549 4.982 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001359761510 1064372340 /nfs/dbraw/zinc/37/23/40/1064372340.db2.gz IIPAUSWTKHXCCB-UXHICEINSA-N 0 0 451.537 4.960 20 0 JJADRN CCCC[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950974 1064372834 /nfs/dbraw/zinc/37/28/34/1064372834.db2.gz YVJFPYWDQDWZOY-XMMPIXPASA-N 0 0 459.594 4.615 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001359761612 1064373110 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XTQGEZQNDOOFBN-UHFFFAOYSA-N 0 0 454.910 4.735 20 0 JJADRN O=C(NCCN1C(=O)Cc2ccccc21)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001434961315 1064376490 /nfs/dbraw/zinc/37/64/90/1064376490.db2.gz HXJJXLCYHRUKLX-QHCPKHFHSA-N 0 0 455.341 4.819 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001359762892 1064377426 /nfs/dbraw/zinc/37/74/26/1064377426.db2.gz AGDAQAVSBLMSOE-SFHVURJKSA-N 0 0 456.541 4.788 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001359763004 1064378078 /nfs/dbraw/zinc/37/80/78/1064378078.db2.gz BWEUNFOZNMAXHF-BGJURXJTSA-N 0 0 464.720 4.978 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F ZINC001434962147 1064378258 /nfs/dbraw/zinc/37/82/58/1064378258.db2.gz SMKCYPLBOZKCBA-AWRGLXIESA-N 0 0 451.469 4.678 20 0 JJADRN CS[C@H](C)CCC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001434963099 1064378378 /nfs/dbraw/zinc/37/83/78/1064378378.db2.gz CKORMPGPYJVLQM-BFUOFWGJSA-N 0 0 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Cc1cnc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1C ZINC001434966077 1064381162 /nfs/dbraw/zinc/38/11/62/1064381162.db2.gz DPQFDGUVEZZGRN-FQEVSTJZSA-N 0 0 453.539 4.507 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C)C2)c1 ZINC001359763955 1064381594 /nfs/dbraw/zinc/38/15/94/1064381594.db2.gz SQFXRVXETXPAHZ-KRWDZBQOSA-N 0 0 485.057 4.968 20 0 JJADRN C[C@H](NC(=O)CCCc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434966602 1064381938 /nfs/dbraw/zinc/38/19/38/1064381938.db2.gz BNPGVGUSXYOYSQ-WMZOPIPTSA-N 0 0 453.421 4.924 20 0 JJADRN Cc1ccccc1CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001434967895 1064383553 /nfs/dbraw/zinc/38/35/53/1064383553.db2.gz NOMMIOLEVNJGDT-QFIPXVFZSA-N 0 0 452.551 4.733 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCSC(C)(C)C2)c1 ZINC001359764446 1064383803 /nfs/dbraw/zinc/38/38/03/1064383803.db2.gz BBNFVXBESQIQFE-UHFFFAOYSA-N 0 0 478.666 4.629 20 0 JJADRN C[C@H](Cc1ccco1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001434968661 1064384302 /nfs/dbraw/zinc/38/43/02/1064384302.db2.gz RXAQWJCOKPGBNM-XLIONFOSSA-N 0 0 456.539 4.653 20 0 JJADRN CC(C)(C)Sc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC001434969118 1064384361 /nfs/dbraw/zinc/38/43/61/1064384361.db2.gz RGJZXPCVDJNGHD-INIZCTEOSA-N 0 0 450.601 4.756 20 0 JJADRN CC(C)[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1nc(-c2cccnc2)no1 ZINC001434970986 1064385682 /nfs/dbraw/zinc/38/56/82/1064385682.db2.gz DFRZNSJLFGFQBL-GOSISDBHSA-N 0 0 455.356 4.730 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001434971032 1064385829 /nfs/dbraw/zinc/38/58/29/1064385829.db2.gz DPGRWGZSJQZVGG-GOSISDBHSA-N 0 0 451.918 4.757 20 0 JJADRN C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001434971133 1064386480 /nfs/dbraw/zinc/38/64/80/1064386480.db2.gz NTDSORTUOSVKGR-KRWDZBQOSA-N 0 0 456.589 4.816 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001434973014 1064387351 /nfs/dbraw/zinc/38/73/51/1064387351.db2.gz CJSDFLQPESVMBY-OAHLLOKOSA-N 0 0 457.260 4.948 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001434973013 1064387433 /nfs/dbraw/zinc/38/74/33/1064387433.db2.gz CJSDFLQPESVMBY-HNNXBMFYSA-N 0 0 457.260 4.948 20 0 JJADRN COCCCOc1cccc(C(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c1C ZINC001434973145 1064388042 /nfs/dbraw/zinc/38/80/42/1064388042.db2.gz ICWYGUSQTZGMSS-FQEVSTJZSA-N 0 0 454.350 4.703 20 0 JJADRN O=C(CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC001434973986 1064388967 /nfs/dbraw/zinc/38/89/67/1064388967.db2.gz DMSJDWQCQKRXIG-UHFFFAOYSA-N 0 0 451.242 4.990 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434974914 1064390584 /nfs/dbraw/zinc/39/05/84/1064390584.db2.gz HERZZGDABGJOTR-CQSZACIVSA-N 0 0 451.539 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(NC(=O)C(C)(C)C(C)(F)F)cc1 ZINC001434975305 1064390599 /nfs/dbraw/zinc/39/05/99/1064390599.db2.gz QHGFUNRQSJSGIS-QGZVFWFLSA-N 0 0 454.514 4.863 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC001434975274 1064390745 /nfs/dbraw/zinc/39/07/45/1064390745.db2.gz LIXJFOQDLHXZMI-UHFFFAOYSA-N 0 0 452.551 4.682 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1coc2c1ccc(OC)c2C ZINC001434976052 1064391457 /nfs/dbraw/zinc/39/14/57/1064391457.db2.gz RRRNGKGXWZSYHN-HXUWFJFHSA-N 0 0 450.318 4.972 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC001434978581 1064394508 /nfs/dbraw/zinc/39/45/08/1064394508.db2.gz KEYLBXWDOJDBPI-UHFFFAOYSA-N 0 0 452.429 4.777 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001434978300 1064394769 /nfs/dbraw/zinc/39/47/69/1064394769.db2.gz PGBRJJRUDLNSFE-INIZCTEOSA-N 0 0 454.995 4.904 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001434979035 1064395390 /nfs/dbraw/zinc/39/53/90/1064395390.db2.gz SRWRNYZTWXFMOQ-QGZVFWFLSA-N 0 0 459.384 4.540 20 0 JJADRN O=C(COC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC001434980814 1064397915 /nfs/dbraw/zinc/39/79/15/1064397915.db2.gz ZVHDLXBRSXMKLA-UHFFFAOYSA-N 0 0 450.800 4.922 20 0 JJADRN COC[C@]1(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CCCCN1C(=O)OC(C)(C)C ZINC001434981471 1064398071 /nfs/dbraw/zinc/39/80/71/1064398071.db2.gz HWYPECDJWIBRCF-NYHFZMIOSA-N 0 0 459.414 4.847 20 0 JJADRN COc1cc(CNC(=O)c2ccc(Oc3cccc(C)c3)cn2)cc(Br)c1OC ZINC001434982874 1064399366 /nfs/dbraw/zinc/39/93/66/1064399366.db2.gz BNZVCWQWTMTYAE-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN COc1cc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)cc(Br)c1OC ZINC001434982863 1064399526 /nfs/dbraw/zinc/39/95/26/1064399526.db2.gz BKYFGAZPVIJAEM-INCPQMAJSA-N 0 0 450.295 4.697 20 0 JJADRN CC(C)n1nc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c2ccccc2c1=O ZINC001434983879 1064400440 /nfs/dbraw/zinc/40/04/40/1064400440.db2.gz APHPGSNJRFPQIY-UHFFFAOYSA-N 0 0 452.942 4.509 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc1C ZINC001434988242 1064404387 /nfs/dbraw/zinc/40/43/87/1064404387.db2.gz LHLJMSHBWAFEOH-UHFFFAOYSA-N 0 0 455.562 4.997 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC001434989957 1064405955 /nfs/dbraw/zinc/40/59/55/1064405955.db2.gz TVYJWNSYCHRRMZ-UHFFFAOYSA-N 0 0 451.958 4.917 20 0 JJADRN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1nn(C)cc1I ZINC001434989918 1064406035 /nfs/dbraw/zinc/40/60/35/1064406035.db2.gz WVRHHZVTNRGVNK-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)[C@@H](c1ccccc1)N1CCSCC1 ZINC001434990233 1064406291 /nfs/dbraw/zinc/40/62/91/1064406291.db2.gz CCBQBDFPYYMSEI-JOCHJYFZSA-N 0 0 458.027 4.695 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn2cccc(Br)c12 ZINC001434993767 1064408314 /nfs/dbraw/zinc/40/83/14/1064408314.db2.gz NZMXDKYHSYGQNJ-UHFFFAOYSA-N 0 0 455.125 4.661 20 0 JJADRN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1cnc(OCc2ccccc2)cn1 ZINC001434993097 1064408354 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JJADRN CC(C)CC1(Cn2c(-c3ccccc3Cl)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001359773435 1064411731 /nfs/dbraw/zinc/41/17/31/1064411731.db2.gz PIVSNABGCACFJH-GOSISDBHSA-N 0 0 465.063 4.828 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1cc2ccccc2n1CC(F)(F)F ZINC001434997067 1064412828 /nfs/dbraw/zinc/41/28/28/1064412828.db2.gz MMMCGWRBUNZFEZ-UHFFFAOYSA-N 0 0 452.436 4.781 20 0 JJADRN O=C(COC(=O)c1cnc(-c2ccccc2Br)s1)N1CCCc2ccccc21 ZINC001434997442 1064412895 /nfs/dbraw/zinc/41/28/95/1064412895.db2.gz NTVFVIXQABBHRO-UHFFFAOYSA-N 0 0 457.349 4.709 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(OC(F)(F)F)c(C)c1 ZINC001434997719 1064413032 /nfs/dbraw/zinc/41/30/32/1064413032.db2.gz PJRJPDGBZHIXDQ-UHFFFAOYSA-N 0 0 459.262 4.723 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccccc3F)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001359773968 1064413634 /nfs/dbraw/zinc/41/36/34/1064413634.db2.gz FFGNUHPQKJTGEC-UHFFFAOYSA-N 0 0 455.622 4.529 20 0 JJADRN CC(C)CC1(Cn2c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001359774068 1064414702 /nfs/dbraw/zinc/41/47/02/1064414702.db2.gz HMULBLJBAOKFKZ-RTWAWAEBSA-N 0 0 472.699 4.832 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2nccs2)CC1 ZINC001359774576 1064415179 /nfs/dbraw/zinc/41/51/79/1064415179.db2.gz XQJDWYPPBATGSO-SFHVURJKSA-N 0 0 490.674 4.506 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001359774636 1064415335 /nfs/dbraw/zinc/41/53/35/1064415335.db2.gz YRNYITQLSQKUQC-SFHVURJKSA-N 0 0 467.555 4.907 20 0 JJADRN CCc1noc(-c2ccc(CCNC(=O)C(F)(F)c3ccc(Br)cc3)cc2)n1 ZINC001435001280 1064416438 /nfs/dbraw/zinc/41/64/38/1064416438.db2.gz MUVGZXZVDHQCTP-UHFFFAOYSA-N 0 0 450.283 4.512 20 0 JJADRN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001435001797 1064416481 /nfs/dbraw/zinc/41/64/81/1064416481.db2.gz TUHGRHNCRIOZMR-AWEZNQCLSA-N 0 0 450.391 4.538 20 0 JJADRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001435001579 1064416571 /nfs/dbraw/zinc/41/65/71/1064416571.db2.gz QPIPEKCNGLUZCX-XMSQKQJNSA-N 0 0 454.299 4.920 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359775228 1064417090 /nfs/dbraw/zinc/41/70/90/1064417090.db2.gz LFLNKQWWVYIVEG-AXBDGMTFSA-N 0 0 460.688 4.863 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1 ZINC001435004124 1064418749 /nfs/dbraw/zinc/41/87/49/1064418749.db2.gz DRVCVQMZCFNNBW-UHFFFAOYSA-N 0 0 458.580 4.810 20 0 JJADRN COc1cc(C2(C(=O)NCC(=O)Nc3ccc(Br)c(C)c3)CCCC2)ccc1C ZINC001435003342 1064418762 /nfs/dbraw/zinc/41/87/62/1064418762.db2.gz DLRVCFXTSAYGGH-UHFFFAOYSA-N 0 0 459.384 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cccn4ncc(Br)c34)ccc21 ZINC001435004565 1064419678 /nfs/dbraw/zinc/41/96/78/1064419678.db2.gz HZDXPKCFSWDAHJ-UHFFFAOYSA-N 0 0 457.328 4.647 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001359776718 1064419703 /nfs/dbraw/zinc/41/97/03/1064419703.db2.gz REWAHNFDJDAYEG-GOSISDBHSA-N 0 0 482.032 4.579 20 0 JJADRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCCNC(=O)c1ccc(Br)cc1 ZINC001435006491 1064422050 /nfs/dbraw/zinc/42/20/50/1064422050.db2.gz LJQNHOYJFGSTQE-UHFFFAOYSA-N 0 0 451.364 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(OCc4ccccc4)CCOCC3)ccc21 ZINC001435006510 1064422137 /nfs/dbraw/zinc/42/21/37/1064422137.db2.gz LYCKSOCPIKWPDO-UHFFFAOYSA-N 0 0 452.551 4.689 20 0 JJADRN COc1cccc(Cn2c(NC(=O)c3nc(F)ccc3Br)nc3ccccc32)c1 ZINC001435007354 1064422738 /nfs/dbraw/zinc/42/27/38/1064422738.db2.gz AZDNUEAJZHEENS-UHFFFAOYSA-N 0 0 455.287 4.642 20 0 JJADRN CC(C)(C)N1C[C@H](C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)CC1=O ZINC001435007793 1064423893 /nfs/dbraw/zinc/42/38/93/1064423893.db2.gz DRDWUEPZHVOCDF-GOSISDBHSA-N 0 0 452.986 4.908 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@@H]1CC[C@H](C)C1 ZINC001359779114 1064424667 /nfs/dbraw/zinc/42/46/67/1064424667.db2.gz CPWQGUKEDCAUPC-JKSUJKDBSA-N 0 0 450.530 4.879 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1Cc1csc(-c2ccco2)n1 ZINC001359778823 1064424700 /nfs/dbraw/zinc/42/47/00/1064424700.db2.gz UDCCMCIREARMAP-LJQANCHMSA-N 0 0 492.649 4.897 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1nc(C)c(C)s1 ZINC001545888140 1064425355 /nfs/dbraw/zinc/42/53/55/1064425355.db2.gz AHUPCUSXMWSONO-GOSISDBHSA-N 0 0 472.684 4.893 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cccc(OC(C)C)c2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001359779261 1064425208 /nfs/dbraw/zinc/42/52/08/1064425208.db2.gz HPFRTDOETAKGEX-UHFFFAOYSA-N 0 0 482.032 4.839 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001435010645 1064425994 /nfs/dbraw/zinc/42/59/94/1064425994.db2.gz JOFRTIXPNKAXJV-BJKOFHAPSA-N 0 0 456.652 4.737 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001435010668 1064426027 /nfs/dbraw/zinc/42/60/27/1064426027.db2.gz KBLVLPYJLLLSEH-NTOOTBGVSA-N 0 0 455.643 4.773 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)c3nccn4c(Br)cnc34)cc2)cc1 ZINC001435011094 1064427048 /nfs/dbraw/zinc/42/70/48/1064427048.db2.gz ASJSDRQHHLKZRR-UHFFFAOYSA-N 0 0 455.337 4.904 20 0 JJADRN COC(=O)Nc1cc(NC(=O)c2scc(Br)c2Br)ccc1F ZINC001435012023 1064427931 /nfs/dbraw/zinc/42/79/31/1064427931.db2.gz FDPSLQHSOUOVSJ-UHFFFAOYSA-N 0 0 452.099 4.843 20 0 JJADRN COC(=O)c1occc1CN(C(=O)[C@@H](C)Cc1cncc2ccccc21)[C@H](C)c1ccccn1 ZINC001435012352 1064428003 /nfs/dbraw/zinc/42/80/03/1064428003.db2.gz ABHLXNXLTLSRHP-RBUKOAKNSA-N 0 0 457.530 4.978 20 0 JJADRN CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(Br)ccc2Sc2nncn2C)CCO1 ZINC001435012476 1064428546 /nfs/dbraw/zinc/42/85/46/1064428546.db2.gz CKAJCNCRHKCFJF-CZUORRHYSA-N 0 0 453.406 4.509 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Cl)s2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001359780214 1064428593 /nfs/dbraw/zinc/42/85/93/1064428593.db2.gz NQHMSEOXHBXVAY-GDLZYMKVSA-N 0 0 451.061 4.755 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1Cc1ccnc(-n2cccn2)c1 ZINC001359780534 1064430416 /nfs/dbraw/zinc/43/04/16/1064430416.db2.gz ZHMOFQNOKUBABN-UHFFFAOYSA-N 0 0 453.953 4.535 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC1(c2ccccc2)CCOCC1 ZINC001359781332 1064432297 /nfs/dbraw/zinc/43/22/97/1064432297.db2.gz DKXBBMXXPGKXJU-UHFFFAOYSA-N 0 0 490.574 4.614 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC001435015218 1064432339 /nfs/dbraw/zinc/43/23/39/1064432339.db2.gz TVKXCSLPXWREPG-ZEQRLZLVSA-N 0 0 458.602 4.870 20 0 JJADRN CC(C)n1c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)cc2nc1C(F)(F)F ZINC001435015374 1064432434 /nfs/dbraw/zinc/43/24/34/1064432434.db2.gz ILJJILGEOJFKAS-UHFFFAOYSA-N 0 0 450.436 4.864 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)NC(C)(C)Cc3ccc(Br)cc3)CC2=O)c(C)c1 ZINC001435016625 1064433448 /nfs/dbraw/zinc/43/34/48/1064433448.db2.gz NORRTNMRLKKHIE-IBGZPJMESA-N 0 0 457.412 4.865 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CCCc4cc(Br)cc(C)c43)cc2)no1 ZINC001435016051 1064433461 /nfs/dbraw/zinc/43/34/61/1064433461.db2.gz TXFQAIJZRULBFG-UHFFFAOYSA-N 0 0 456.340 4.875 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359782152 1064434303 /nfs/dbraw/zinc/43/43/03/1064434303.db2.gz JOQPPCRMTBVPJN-UHFFFAOYSA-N 0 0 484.954 4.627 20 0 JJADRN COCCOc1ccc(F)cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001435017134 1064434388 /nfs/dbraw/zinc/43/43/88/1064434388.db2.gz PYNGUYILAGUPJG-UHFFFAOYSA-N 0 0 453.239 4.660 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001435017903 1064435264 /nfs/dbraw/zinc/43/52/64/1064435264.db2.gz ZDCDWEYQSPRJIZ-UHFFFAOYSA-N 0 0 453.464 4.743 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1 ZINC001435019463 1064435851 /nfs/dbraw/zinc/43/58/51/1064435851.db2.gz QVEISIKQPKNFTE-GJZGRUSLSA-N 0 0 450.457 4.666 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359783810 1064436017 /nfs/dbraw/zinc/43/60/17/1064436017.db2.gz KGPAWDNFXZNWCL-SFLYRZDNSA-N 0 0 493.618 4.965 20 0 JJADRN 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IFAWMYVMISRTKN-OAHLLOKOSA-N 0 0 489.380 4.813 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1CC1(C(C)C)CC1 ZINC001359787701 1064443281 /nfs/dbraw/zinc/44/32/81/1064443281.db2.gz LQFXWORNEZZJPI-UHFFFAOYSA-N 0 0 455.466 4.736 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@H]1CCC(F)(F)C1 ZINC001359787569 1064443305 /nfs/dbraw/zinc/44/33/05/1064443305.db2.gz IFAWMYVMISRTKN-HNNXBMFYSA-N 0 0 489.380 4.813 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1CC1(CC)CCOCC1 ZINC001545888245 1064443735 /nfs/dbraw/zinc/44/37/35/1064443735.db2.gz DUEHHXFNXWOXDZ-FQEVSTJZSA-N 0 0 473.687 4.979 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001435028603 1064445397 /nfs/dbraw/zinc/44/53/97/1064445397.db2.gz RMTWZXZNRAFEJC-FQEVSTJZSA-N 0 0 453.341 4.521 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001359789283 1064445381 /nfs/dbraw/zinc/44/53/81/1064445381.db2.gz MPRHZVCOHVQYJW-UGKGYDQZSA-N 0 0 485.648 4.988 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CCCC1)c1cn(-c2ccccc2Br)nn1 ZINC001359789423 1064445440 /nfs/dbraw/zinc/44/54/40/1064445440.db2.gz GLJAFEAYYXWXNN-UHFFFAOYSA-N 0 0 457.397 4.865 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC001435028360 1064445558 /nfs/dbraw/zinc/44/55/58/1064445558.db2.gz YATQSVJUWZURDX-UHFFFAOYSA-N 0 0 451.544 4.579 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001359790325 1064446324 /nfs/dbraw/zinc/44/63/24/1064446324.db2.gz VMTJKCIZRFYOBO-SIKLNZKXSA-N 0 0 498.672 4.591 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC001359789642 1064446435 /nfs/dbraw/zinc/44/64/35/1064446435.db2.gz JFHWEFCSHGLZBY-CYBMUJFWSA-N 0 0 456.153 4.668 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1Cl ZINC001359789820 1064446466 /nfs/dbraw/zinc/44/64/66/1064446466.db2.gz LPRXQQOVPGBZEN-AWEZNQCLSA-N 0 0 458.407 4.510 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001359790323 1064446523 /nfs/dbraw/zinc/44/65/23/1064446523.db2.gz VMTJKCIZRFYOBO-DENIHFKCSA-N 0 0 498.672 4.591 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359789928 1064446567 /nfs/dbraw/zinc/44/65/67/1064446567.db2.gz RUGVXWNPQZVEMI-APWZRJJASA-N 0 0 497.562 4.773 20 0 JJADRN COc1ccc(Cl)c2c1N(C(=O)[C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)CCC2 ZINC001435029275 1064446379 /nfs/dbraw/zinc/44/63/79/1064446379.db2.gz QAWXYPFVFNDTHB-GFCCVEGCSA-N 0 0 453.753 4.988 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3cc4ccc(Br)cc4s3)c2)cn1 ZINC001435029360 1064446446 /nfs/dbraw/zinc/44/64/46/1064446446.db2.gz CGKBEQAYGTUOJE-UHFFFAOYSA-N 0 0 456.321 4.869 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)c1 ZINC001359790607 1064447332 /nfs/dbraw/zinc/44/73/32/1064447332.db2.gz SFVNMXMYTROYKU-UHFFFAOYSA-N 0 0 455.551 4.918 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359791665 1064448291 /nfs/dbraw/zinc/44/82/91/1064448291.db2.gz FEVLGPNJKYLRTI-SLFFLAALSA-N 0 0 465.708 4.987 20 0 JJADRN O=C(Oc1ccccc1C(=O)OCc1ccc(Br)cc1)c1ncc2ccccn21 ZINC001435031689 1064449312 /nfs/dbraw/zinc/44/93/12/1064449312.db2.gz RNKOOWZPAHWFAB-UHFFFAOYSA-N 0 0 451.276 4.673 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359791928 1064449243 /nfs/dbraw/zinc/44/92/43/1064449243.db2.gz HONUXNWHZUBCND-GOSISDBHSA-N 0 0 453.587 4.616 20 0 JJADRN O=C(Oc1ccccc1C(=O)OCc1ccc(Br)cc1)c1ncc2n1CCCC2 ZINC001435032656 1064450088 /nfs/dbraw/zinc/45/00/88/1064450088.db2.gz YPECKJZSYCEMFB-UHFFFAOYSA-N 0 0 455.308 4.558 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cccc(Br)c3C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359792910 1064451138 /nfs/dbraw/zinc/45/11/38/1064451138.db2.gz QMKKFONMBSCRCD-UHFFFAOYSA-N 0 0 478.435 4.626 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCC(=O)Nc1ccccc1 ZINC001359793946 1064451905 /nfs/dbraw/zinc/45/19/05/1064451905.db2.gz SHUAEKFCMVFGIU-NQIIRXRSSA-N 0 0 453.612 4.533 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359793777 1064452079 /nfs/dbraw/zinc/45/20/79/1064452079.db2.gz XPDBFBRLEVCNMP-OAHLLOKOSA-N 0 0 478.435 4.673 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001435037544 1064452559 /nfs/dbraw/zinc/45/25/59/1064452559.db2.gz HTROFUAACGWGGL-AWEZNQCLSA-N 0 0 454.404 4.912 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC001435038056 1064453698 /nfs/dbraw/zinc/45/36/98/1064453698.db2.gz HGJFZVCPYVCOQW-UHFFFAOYSA-N 0 0 454.567 4.588 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1sc(-c2ccc(OC)cc2F)nc1C ZINC001435037913 1064453770 /nfs/dbraw/zinc/45/37/70/1064453770.db2.gz BFGBFKKVMGEOKG-UHFFFAOYSA-N 0 0 455.555 4.630 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001435038731 1064455512 /nfs/dbraw/zinc/45/55/12/1064455512.db2.gz UHUKFCCJLOTCBX-OAHLLOKOSA-N 0 0 456.388 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359796095 1064455547 /nfs/dbraw/zinc/45/55/47/1064455547.db2.gz UKOURJSRBGICSS-UHFFFAOYSA-N 0 0 481.641 4.875 20 0 JJADRN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435039864 1064456301 /nfs/dbraw/zinc/45/63/01/1064456301.db2.gz GWVSLONGHXTNLM-MQSCRBSSSA-N 0 0 458.524 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001359796901 1064457231 /nfs/dbraw/zinc/45/72/31/1064457231.db2.gz OEJAWLMWELJGGG-FQEVSTJZSA-N 0 0 469.649 4.725 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCc4c(Cl)ccc(F)c43)s2)CC1 ZINC001435041746 1064458089 /nfs/dbraw/zinc/45/80/89/1064458089.db2.gz XOMUFOPHDDFEKT-UHFFFAOYSA-N 0 0 456.992 4.554 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001359797213 1064458863 /nfs/dbraw/zinc/45/88/63/1064458863.db2.gz XWLQDBVEFWCYAC-UHFFFAOYSA-N 0 0 475.659 4.552 20 0 JJADRN O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1cccc(CN2CCCC2=O)c1 ZINC001435043194 1064459916 /nfs/dbraw/zinc/45/99/16/1064459916.db2.gz FGGZESRVLYTSMP-UHFFFAOYSA-N 0 0 453.995 4.809 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435043158 1064459988 /nfs/dbraw/zinc/45/99/88/1064459988.db2.gz AFWSQSSOECGFFR-UHFFFAOYSA-N 0 0 453.848 4.925 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC001359798015 1064460686 /nfs/dbraw/zinc/46/06/86/1064460686.db2.gz RXEBGXGSCNTOEH-SFHVURJKSA-N 0 0 456.542 4.588 20 0 JJADRN Cc1ccc(F)c2c1CCCN2C(=O)CCCOc1ccc(I)cc1 ZINC001435043658 1064460930 /nfs/dbraw/zinc/46/09/30/1064460930.db2.gz CSYAQVLEZGUWGR-UHFFFAOYSA-N 0 0 453.295 4.877 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435045464 1064461964 /nfs/dbraw/zinc/46/19/64/1064461964.db2.gz DPCCOBJGEMTWJA-UTKZUKDTSA-N 0 0 456.464 4.839 20 0 JJADRN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001435045805 1064462095 /nfs/dbraw/zinc/46/20/95/1064462095.db2.gz MVCGRCMFKSQIDT-KRWDZBQOSA-N 0 0 456.258 4.816 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCC(F)(F)F ZINC001359798569 1064462299 /nfs/dbraw/zinc/46/22/99/1064462299.db2.gz KYHINPKYWUZSDG-CVEARBPZSA-N 0 0 479.613 4.512 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359798520 1064462369 /nfs/dbraw/zinc/46/23/69/1064462369.db2.gz KMBZTKZIMKPHAX-FQEVSTJZSA-N 0 0 473.612 4.716 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 ZINC001435046381 1064462683 /nfs/dbraw/zinc/46/26/83/1064462683.db2.gz NNTAQBGLYXXWDF-UHFFFAOYSA-N 0 0 459.370 4.802 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001435046178 1064462975 /nfs/dbraw/zinc/46/29/75/1064462975.db2.gz RNHNRYZOXRIZAC-QGZVFWFLSA-N 0 0 454.493 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001359798679 1064463223 /nfs/dbraw/zinc/46/32/23/1064463223.db2.gz NDRYMAJENHASGG-PMACEKPBSA-N 0 0 470.662 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359799051 1064464081 /nfs/dbraw/zinc/46/40/81/1064464081.db2.gz WRKCDTVDLJZNGI-UHFFFAOYSA-N 0 0 491.583 4.629 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H]1CCCCC1(F)F ZINC001545888387 1064464278 /nfs/dbraw/zinc/46/42/78/1064464278.db2.gz JQQJSDDSFPNAAF-INIZCTEOSA-N 0 0 480.991 4.633 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048085 1064464297 /nfs/dbraw/zinc/46/42/97/1064464297.db2.gz BGXJLGBCYCFPHM-OPAMFIHVSA-N 0 0 454.640 4.787 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048084 1064464653 /nfs/dbraw/zinc/46/46/53/1064464653.db2.gz BGXJLGBCYCFPHM-KSFYIVLOSA-N 0 0 454.640 4.787 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001435048035 1064464673 /nfs/dbraw/zinc/46/46/73/1064464673.db2.gz ARDPCVUDNDKEQZ-UHFFFAOYSA-N 0 0 450.560 4.827 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047806 1064464746 /nfs/dbraw/zinc/46/47/46/1064464746.db2.gz TYKWWFSHEYBTRY-INIZCTEOSA-N 0 0 457.199 4.935 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cnnc(-c2ccccc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048538 1064465574 /nfs/dbraw/zinc/46/55/74/1064465574.db2.gz DUTRWSHOZFEQBC-CLOONOSVSA-N 0 0 457.578 4.527 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)CC2=O)c(C)c1 ZINC001435048542 1064465702 /nfs/dbraw/zinc/46/57/02/1064465702.db2.gz DVSPMRRYPFZHEO-HSZRJFAPSA-N 0 0 456.542 4.960 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCc2nnc(-c3cccc(C)c3)o2)c1 ZINC001359799256 1064465916 /nfs/dbraw/zinc/46/59/16/1064465916.db2.gz CMTBDLAAXLUIAY-UHFFFAOYSA-N 0 0 454.376 4.690 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(OCc2cscn2)c1 ZINC001435048999 1064466312 /nfs/dbraw/zinc/46/63/12/1064466312.db2.gz LEXUTGHEGAZVBS-DEOSSOPVSA-N 0 0 457.555 4.702 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)cc1OC ZINC001435050411 1064468183 /nfs/dbraw/zinc/46/81/83/1064468183.db2.gz ZNPGFNIPXLCWKW-UHFFFAOYSA-N 0 0 451.567 4.632 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCCOC1CCOCC1 ZINC001359801411 1064468788 /nfs/dbraw/zinc/46/87/88/1064468788.db2.gz URQGMHGKUXUVFT-RUZDIDTESA-N 0 0 491.076 4.666 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001435050834 1064469369 /nfs/dbraw/zinc/46/93/69/1064469369.db2.gz BJRGDWGJBAPZMQ-UHFFFAOYSA-N 0 0 456.319 4.785 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3cc4ccccc4[nH]3)CC2)n1CCCNC(=O)C(C)C ZINC001359802711 1064471743 /nfs/dbraw/zinc/47/17/43/1064471743.db2.gz UGOQNQXTZDOJON-UHFFFAOYSA-N 0 0 450.631 4.504 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)c1 ZINC001435053165 1064471864 /nfs/dbraw/zinc/47/18/64/1064471864.db2.gz OLHOPKWDEFMPAF-UHFFFAOYSA-N 0 0 453.498 4.733 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC001435053906 1064472024 /nfs/dbraw/zinc/47/20/24/1064472024.db2.gz ZSYXHYOUGFQVCP-UHFFFAOYSA-N 0 0 459.011 4.642 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1cc(I)cc(C)c1C ZINC001359803642 1064472905 /nfs/dbraw/zinc/47/29/05/1064472905.db2.gz LIQNHUJHPUHEJM-UHFFFAOYSA-N 0 0 451.348 4.629 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1OC1CCCC1 ZINC001435054412 1064472998 /nfs/dbraw/zinc/47/29/98/1064472998.db2.gz CVTWENIBAJCAGO-HSZRJFAPSA-N 0 0 450.579 4.704 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1I ZINC001435055688 1064473575 /nfs/dbraw/zinc/47/35/75/1064473575.db2.gz WBJWAFHHXKHVPU-UHFFFAOYSA-N 0 0 454.333 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359805316 1064474374 /nfs/dbraw/zinc/47/43/74/1064474374.db2.gz JUIZAVQPMLUVHW-QFIPXVFZSA-N 0 0 480.575 4.857 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1Cc1cc(Br)cs1 ZINC001359805510 1064474513 /nfs/dbraw/zinc/47/45/13/1064474513.db2.gz NYPXIXHKKDPTAH-UHFFFAOYSA-N 0 0 494.503 4.578 20 0 JJADRN CCN(C(=O)C1CCN(C(=O)N(C)C)CC1)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC001435056001 1064474614 /nfs/dbraw/zinc/47/46/14/1064474614.db2.gz VOARSYQFUMYTHO-HSZRJFAPSA-N 0 0 450.608 4.628 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cn3cc(C)ccc3n2)c2ccccc2)cc1Br ZINC001435056311 1064474713 /nfs/dbraw/zinc/47/47/13/1064474713.db2.gz NVFVFXMEUUPVFB-JOCHJYFZSA-N 0 0 450.336 4.933 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC1CCCC1 ZINC001435056469 1064475449 /nfs/dbraw/zinc/47/54/49/1064475449.db2.gz PJEZGPASBRLPMD-RXFWQSSRSA-N 0 0 458.599 4.670 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](OC)c2ccc(Br)s2)cc1OC1CCCC1 ZINC001435056722 1064475539 /nfs/dbraw/zinc/47/55/39/1064475539.db2.gz SAGGLPCYSQJXKC-IBGZPJMESA-N 0 0 454.386 4.845 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(Oc2ccccc2F)nc1)C(=O)N1CCc2sccc2C1 ZINC001359806738 1064476270 /nfs/dbraw/zinc/47/62/70/1064476270.db2.gz OGVPGQGIRVECIC-LJQANCHMSA-N 0 0 453.539 4.558 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC001435057647 1064476295 /nfs/dbraw/zinc/47/62/95/1064476295.db2.gz BNNPCWPNECFNNU-FQEVSTJZSA-N 0 0 453.048 4.830 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001435057787 1064476366 /nfs/dbraw/zinc/47/63/66/1064476366.db2.gz SWUVVACXSHJUTB-UHFFFAOYSA-N 0 0 454.926 4.609 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Br)c(C)c2F)c(C)c1 ZINC001435059040 1064477131 /nfs/dbraw/zinc/47/71/31/1064477131.db2.gz DNGLGTOCDKNLJN-QGZVFWFLSA-N 0 0 451.361 4.667 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2c(C)cc(C)nc2OC)c1 ZINC001359807244 1064477287 /nfs/dbraw/zinc/47/72/87/1064477287.db2.gz XRPJLCAHZXOTGU-UHFFFAOYSA-N 0 0 456.546 4.807 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001435060057 1064478025 /nfs/dbraw/zinc/47/80/25/1064478025.db2.gz JOZRGUWIYHIJLA-CQSZACIVSA-N 0 0 458.436 4.794 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001435060055 1064478051 /nfs/dbraw/zinc/47/80/51/1064478051.db2.gz JOZRGUWIYHIJLA-AWEZNQCLSA-N 0 0 458.436 4.794 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[C@@H]1CCCCO1 ZINC001545888500 1064478058 /nfs/dbraw/zinc/47/80/58/1064478058.db2.gz OJBFSSLHWPBSDX-APWZRJJASA-N 0 0 475.584 4.558 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)c(Br)c(Cl)c1 ZINC001435059858 1064478122 /nfs/dbraw/zinc/47/81/22/1064478122.db2.gz IEULHGYCLHHRNA-INIZCTEOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359807647 1064478195 /nfs/dbraw/zinc/47/81/95/1064478195.db2.gz AJZJYPIMYIDRTR-QHCPKHFHSA-N 0 0 470.065 4.546 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001435060690 1064479102 /nfs/dbraw/zinc/47/91/02/1064479102.db2.gz NITKKKVVURJJOW-CYFREDJKSA-N 0 0 458.583 4.870 20 0 JJADRN CN(c1ccc(CNC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)cc1)S(C)(=O)=O ZINC001435062776 1064480656 /nfs/dbraw/zinc/48/06/56/1064480656.db2.gz BOCLEWADPINGIA-BMRMRWSQSA-N 0 0 481.445 4.904 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1CCCOc1ccc(C)cc1 ZINC001545888512 1064482624 /nfs/dbraw/zinc/48/26/24/1064482624.db2.gz OTQOHBREZNTTCJ-UHFFFAOYSA-N 0 0 467.639 4.598 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1ccccc1OC(C)C ZINC001545888515 1064482657 /nfs/dbraw/zinc/48/26/57/1064482657.db2.gz OWOCDBAHMILMEO-UHFFFAOYSA-N 0 0 497.043 4.643 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(CC(F)(F)F)c3ccccc3)c2)C1 ZINC001435064616 1064483360 /nfs/dbraw/zinc/48/33/60/1064483360.db2.gz KTTIAQPJKJSYJO-IAGOWNOFSA-N 0 0 454.514 4.562 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001435064352 1064483533 /nfs/dbraw/zinc/48/35/33/1064483533.db2.gz COXNLLODZICBBX-DWXRJYCRSA-N 0 0 454.615 4.621 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001359809591 1064484188 /nfs/dbraw/zinc/48/41/88/1064484188.db2.gz WNQVOVRAYKFBIG-UHFFFAOYSA-N 0 0 462.425 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1(c2ccc(F)cc2)CC1 ZINC001359809550 1064484351 /nfs/dbraw/zinc/48/43/51/1064484351.db2.gz VBDNWOMXJOSJDR-LJQANCHMSA-N 0 0 471.621 4.699 20 0 JJADRN COc1ccc(CNC(=O)Cc2c(F)ccc(Br)c2F)cc1OC1CCCC1 ZINC001359810279 1064485085 /nfs/dbraw/zinc/48/50/85/1064485085.db2.gz KTSDZRAGMYFQJE-UHFFFAOYSA-N 0 0 454.311 4.916 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cn1 ZINC001359810289 1064485215 /nfs/dbraw/zinc/48/52/15/1064485215.db2.gz LGPWKJKJHJVDBE-UHFFFAOYSA-N 0 0 458.743 4.955 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359811076 1064486001 /nfs/dbraw/zinc/48/60/01/1064486001.db2.gz CQBJAGAAMDUYGT-IBGZPJMESA-N 0 0 481.563 4.989 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359811077 1064486036 /nfs/dbraw/zinc/48/60/36/1064486036.db2.gz CQBJAGAAMDUYGT-LJQANCHMSA-N 0 0 481.563 4.989 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCCN(C)c1ccccc1 ZINC001359811470 1064486598 /nfs/dbraw/zinc/48/65/98/1064486598.db2.gz OYMDZAUJRAJFBO-QHCPKHFHSA-N 0 0 484.689 4.839 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N(CC(F)(F)F)c3ccccc3)CC2=O)ccc1Br ZINC001435066194 1064486804 /nfs/dbraw/zinc/48/68/04/1064486804.db2.gz RQTCIGPUKFPXBX-CQSZACIVSA-N 0 0 455.274 4.706 20 0 JJADRN CC(C)Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359811717 1064487549 /nfs/dbraw/zinc/48/75/49/1064487549.db2.gz WXWMZCTUOAJNNX-UHFFFAOYSA-N 0 0 484.689 4.839 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1OC ZINC001435067315 1064487705 /nfs/dbraw/zinc/48/77/05/1064487705.db2.gz KECCMZZJUQMPMI-UHFFFAOYSA-N 0 0 459.999 4.705 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359811501 1064487683 /nfs/dbraw/zinc/48/76/83/1064487683.db2.gz PTWMFTXJVCOPDN-QGZVFWFLSA-N 0 0 496.027 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359811726 1064487740 /nfs/dbraw/zinc/48/77/40/1064487740.db2.gz XECVOJFHGCNAAB-SFHVURJKSA-N 0 0 494.084 4.671 20 0 JJADRN C[C@H](CSc1ccccc1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435067719 1064488444 /nfs/dbraw/zinc/48/84/44/1064488444.db2.gz AWKSTNAXPQBYJR-GOSISDBHSA-N 0 0 456.612 4.506 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001359812578 1064489206 /nfs/dbraw/zinc/48/92/06/1064489206.db2.gz OLLDCHLIOKSAKR-LJQANCHMSA-N 0 0 483.657 4.955 20 0 JJADRN CCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001435068625 1064489212 /nfs/dbraw/zinc/48/92/12/1064489212.db2.gz RTSCLWROKBTMQY-SANMLTNESA-N 0 0 456.521 4.635 20 0 JJADRN C[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2C1 ZINC001435068630 1064489408 /nfs/dbraw/zinc/48/94/08/1064489408.db2.gz IZRCWWLHGUOSPP-INIZCTEOSA-N 0 0 456.612 4.577 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001359813501 1064490396 /nfs/dbraw/zinc/49/03/96/1064490396.db2.gz WCPVYPSHGOYTQA-YADHBBJMSA-N 0 0 451.394 4.587 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001435068717 1064490489 /nfs/dbraw/zinc/49/04/89/1064490489.db2.gz SQVYVZGYZQWCEC-INIZCTEOSA-N 0 0 458.425 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359812949 1064490482 /nfs/dbraw/zinc/49/04/82/1064490482.db2.gz UCKRQVYYNUTUCF-UHFFFAOYSA-N 0 0 498.672 4.613 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)N(CC)[C@H](c1csc2ccccc21)c1cccnc1 ZINC001359813634 1064491173 /nfs/dbraw/zinc/49/11/73/1064491173.db2.gz AEAZNJRIUZDZFI-OFNKIYASSA-N 0 0 453.633 4.936 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069465 1064491212 /nfs/dbraw/zinc/49/12/12/1064491212.db2.gz YVKPGLDQQOTXQJ-MHECFPHRSA-N 0 0 451.929 4.865 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1Cc1ccccc1OC(F)F ZINC001359814533 1064491841 /nfs/dbraw/zinc/49/18/41/1064491841.db2.gz JFVJDCIIMDTIFB-UHFFFAOYSA-N 0 0 489.592 4.587 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCc1ccc(Cl)s1 ZINC001359814474 1064491995 /nfs/dbraw/zinc/49/19/95/1064491995.db2.gz GVXQICSSIFPKPU-UHFFFAOYSA-N 0 0 468.067 4.928 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC(C)(C)C(F)(F)F ZINC001359814622 1064492711 /nfs/dbraw/zinc/49/27/11/1064492711.db2.gz LRHQBVGCNQEGRS-UHFFFAOYSA-N 0 0 457.566 4.525 20 0 JJADRN O=C(CCS(=O)(=O)C1CCCC1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435070761 1064493012 /nfs/dbraw/zinc/49/30/12/1064493012.db2.gz BTKWORBJUPELSB-HNNXBMFYSA-N 0 0 457.308 4.733 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc(OC)c(OC2CCCC2)c1)C1CC1 ZINC001435071422 1064493879 /nfs/dbraw/zinc/49/38/79/1064493879.db2.gz DDNDWUPOYCRVMN-HSZRJFAPSA-N 0 0 451.563 4.796 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001435071317 1064493898 /nfs/dbraw/zinc/49/38/98/1064493898.db2.gz QLXUOGZWXVTGCN-OAQYLSRUSA-N 0 0 455.967 4.792 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359814830 1064493901 /nfs/dbraw/zinc/49/39/01/1064493901.db2.gz BPGJBZWCCQFKRX-XUZZJYLKSA-N 0 0 472.649 4.785 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCC(C)(C)C1CC1 ZINC001359814959 1064494533 /nfs/dbraw/zinc/49/45/33/1064494533.db2.gz SHTBLTOOMBHAGK-NRFANRHFSA-N 0 0 456.610 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359815585 1064496410 /nfs/dbraw/zinc/49/64/10/1064496410.db2.gz PNCMEGPKAZPBQW-FQEVSTJZSA-N 0 0 463.667 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1Cc1sccc1Br ZINC001359815606 1064496426 /nfs/dbraw/zinc/49/64/26/1064496426.db2.gz PWWQWDHESRNUOI-OAQYLSRUSA-N 0 0 479.419 4.586 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N(C)CCc2ccc(Br)cc2)cc1 ZINC001435074356 1064496509 /nfs/dbraw/zinc/49/65/09/1064496509.db2.gz MPAUWWCWTLTSNE-UHFFFAOYSA-N 0 0 457.368 4.877 20 0 JJADRN O=C(Cc1ccccc1)NCCC(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435074886 1064496529 /nfs/dbraw/zinc/49/65/29/1064496529.db2.gz 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CC1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C1=O ZINC001435077934 1064500373 /nfs/dbraw/zinc/50/03/73/1064500373.db2.gz YTMDKURVTWERJU-UHFFFAOYSA-N 0 0 456.713 4.708 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359818194 1064501977 /nfs/dbraw/zinc/50/19/77/1064501977.db2.gz VVDNKTXJJXZDHQ-UHFFFAOYSA-N 0 0 467.445 4.686 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC001435080148 1064502206 /nfs/dbraw/zinc/50/22/06/1064502206.db2.gz JTOZLQGRBIVJSQ-LBPRGKRZSA-N 0 0 458.946 4.932 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001435080566 1064502537 /nfs/dbraw/zinc/50/25/37/1064502537.db2.gz IPVDZTAPNPKUOG-AWEZNQCLSA-N 0 0 453.377 4.945 20 0 JJADRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001435080375 1064502607 /nfs/dbraw/zinc/50/26/07/1064502607.db2.gz JIVZDAYBVNKRAU-UHFFFAOYSA-N 0 0 454.521 4.845 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCC(=O)OC(C)(C)C ZINC001435080542 1064502769 /nfs/dbraw/zinc/50/27/69/1064502769.db2.gz IJULOFHKEUBQKQ-UHFFFAOYSA-N 0 0 450.885 4.656 20 0 JJADRN CCCC1CCC(N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)CC1 ZINC001435080986 1064503233 /nfs/dbraw/zinc/50/32/33/1064503233.db2.gz SVNUBSOTFYQJIH-SNCIUUNGSA-N 0 0 452.636 4.822 20 0 JJADRN O=C(Cc1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1)Nc1ccccc1F ZINC001359819438 1064503446 /nfs/dbraw/zinc/50/34/46/1064503446.db2.gz ZPDKEIVWLQLTKW-UHFFFAOYSA-N 0 0 452.383 4.717 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1nc(C)n(-c2ccccc2)n1)C1CC1 ZINC001435081897 1064503763 /nfs/dbraw/zinc/50/37/63/1064503763.db2.gz WPBXIJGTFQZIHG-UHFFFAOYSA-N 0 0 455.356 4.542 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001359820071 1064503884 /nfs/dbraw/zinc/50/38/84/1064503884.db2.gz GELIVMRDNLOUQM-OAHLLOKOSA-N 0 0 458.527 4.601 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(C)c1 ZINC001359820942 1064503975 /nfs/dbraw/zinc/50/39/75/1064503975.db2.gz XVTSZKKWSYFGEI-UZLBHIALSA-N 0 0 454.621 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@H]1CC[C@H](C)C1 ZINC001545888627 1064504496 /nfs/dbraw/zinc/50/44/96/1064504496.db2.gz SCMDYSAIKYZTTR-IRXDYDNUSA-N 0 0 488.474 4.958 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359822763 1064505255 /nfs/dbraw/zinc/50/52/55/1064505255.db2.gz HKHDXOMGFJWIJT-IFMALSPDSA-N 0 0 468.690 4.730 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2cnccc2-n2cccn2)cc1Br ZINC001435084434 1064505422 /nfs/dbraw/zinc/50/54/22/1064505422.db2.gz LFZBVJNGIZDPQS-UHFFFAOYSA-N 0 0 450.134 4.607 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359823147 1064505740 /nfs/dbraw/zinc/50/57/40/1064505740.db2.gz NQAJQKJQKZSYOB-VGOFRKELSA-N 0 0 489.611 4.963 20 0 JJADRN C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001435085042 1064506185 /nfs/dbraw/zinc/50/61/85/1064506185.db2.gz FJOZHMSBRVGRLG-YKSBVNFPSA-N 0 0 450.583 4.564 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)c1C ZINC001359824011 1064506284 /nfs/dbraw/zinc/50/62/84/1064506284.db2.gz DHXWMDGBLVWNMT-NRFANRHFSA-N 0 0 454.983 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359823738 1064506360 /nfs/dbraw/zinc/50/63/60/1064506360.db2.gz YRFCUKFQZYNMHK-UHFFFAOYSA-N 0 0 457.472 4.841 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCCc2ccc(OCC(C)C)cc2)cc1 ZINC001435085916 1064506569 /nfs/dbraw/zinc/50/65/69/1064506569.db2.gz UJKJMYZQRNSXOM-UHFFFAOYSA-N 0 0 456.384 4.951 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC001359824174 1064506643 /nfs/dbraw/zinc/50/66/43/1064506643.db2.gz HYRQSGHZFPYGQM-KSSFIOAISA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC001359824121 1064506869 /nfs/dbraw/zinc/50/68/69/1064506869.db2.gz GKHKDMVWGOBNBD-QAPCUYQASA-N 0 0 457.646 4.934 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)ccn1 ZINC001435087281 1064506972 /nfs/dbraw/zinc/50/69/72/1064506972.db2.gz GUQLHLAMJVUFFG-QGZVFWFLSA-N 0 0 450.539 4.653 20 0 JJADRN CC(C)(CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC001435087492 1064507061 /nfs/dbraw/zinc/50/70/61/1064507061.db2.gz UBRRQRPXYFQAAP-UHFFFAOYSA-N 0 0 454.297 4.995 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c(C)c1 ZINC001359824474 1064507318 /nfs/dbraw/zinc/50/73/18/1064507318.db2.gz NYAXHADYFIEVLH-YJBOKZPZSA-N 0 0 452.498 4.630 20 0 JJADRN CCCCCC[C@](C)(NC(=O)c1cnn(-c2cccc(Br)c2)c1)C(=O)OCC ZINC001435089377 1064507563 /nfs/dbraw/zinc/50/75/63/1064507563.db2.gz CAUWSAQQKMVUBP-NRFANRHFSA-N 0 0 450.377 4.657 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC001435089179 1064507659 /nfs/dbraw/zinc/50/76/59/1064507659.db2.gz BPYFCCVIYXFBEB-GOSISDBHSA-N 0 0 452.986 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccccc3CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359825393 1064507706 /nfs/dbraw/zinc/50/77/06/1064507706.db2.gz 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453.970 4.699 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@@H]1CCC=CO1 ZINC001545888711 1064509393 /nfs/dbraw/zinc/50/93/93/1064509393.db2.gz VNOFYYMJIUADRH-DEOSSOPVSA-N 0 0 495.668 4.877 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc2nsnc2c1 ZINC001359827022 1064509593 /nfs/dbraw/zinc/50/95/93/1064509593.db2.gz UAYLJKIATIGEGZ-PKOBYXMFSA-N 0 0 499.685 4.659 20 0 JJADRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001359827745 1064509650 /nfs/dbraw/zinc/50/96/50/1064509650.db2.gz NZTZKMBNJHPYHM-RUZDIDTESA-N 0 0 452.501 4.864 20 0 JJADRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001359828367 1064509937 /nfs/dbraw/zinc/50/99/37/1064509937.db2.gz DNEVEYHVDCIEQP-MRXNPFEDSA-N 0 0 453.395 4.562 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435094184 1064510149 /nfs/dbraw/zinc/51/01/49/1064510149.db2.gz ANEFWROSFLFJEJ-UHFFFAOYSA-N 0 0 456.633 4.831 20 0 JJADRN CC[C@H](NC(=O)c1cccn1-c1cccc(I)c1)c1nc(C)cs1 ZINC001435093307 1064510167 /nfs/dbraw/zinc/51/01/67/1064510167.db2.gz MWUOAHJCHVJMHG-HNNXBMFYSA-N 0 0 451.333 4.728 20 0 JJADRN CO[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccccc1Br ZINC001435093321 1064510190 /nfs/dbraw/zinc/51/01/90/1064510190.db2.gz VYMNIXPHKXHQID-LJQANCHMSA-N 0 0 456.340 4.593 20 0 JJADRN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001359828702 1064510965 /nfs/dbraw/zinc/51/09/65/1064510965.db2.gz HOHQHEAYMFUUBD-KRWDZBQOSA-N 0 0 455.432 4.889 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001359829650 1064511440 /nfs/dbraw/zinc/51/14/40/1064511440.db2.gz SOIFALLFECUFIU-RNUYOQPASA-N 0 0 450.482 4.658 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001359829619 1064511503 /nfs/dbraw/zinc/51/15/03/1064511503.db2.gz YBVOLSKTUPMIIS-UHFFFAOYSA-N 0 0 452.473 4.859 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001359829648 1064511613 /nfs/dbraw/zinc/51/16/13/1064511613.db2.gz SOIFALLFECUFIU-FIIODCPWSA-N 0 0 450.482 4.658 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC001435097462 1064512044 /nfs/dbraw/zinc/51/20/44/1064512044.db2.gz GHFHSNHZJXTUQT-ISKFKSNPSA-N 0 0 457.014 4.988 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCSc2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC001435097154 1064512247 /nfs/dbraw/zinc/51/22/47/1064512247.db2.gz XNRSECTUQMDIOV-OAQYLSRUSA-N 0 0 451.007 4.930 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc32)c1)c1ccccc1 ZINC001435098091 1064512832 /nfs/dbraw/zinc/51/28/32/1064512832.db2.gz PDZQLLVWMBIGQS-HXUWFJFHSA-N 0 0 458.583 4.852 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3cccc4ccccc43)cc2)cc1 ZINC001435098439 1064512860 /nfs/dbraw/zinc/51/28/60/1064512860.db2.gz QMWCDQXFGLUQER-UHFFFAOYSA-N 0 0 458.583 4.946 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1CCCOC(F)(F)F ZINC001359830255 1064512758 /nfs/dbraw/zinc/51/27/58/1064512758.db2.gz FWKKJPMFVLPLMU-INIZCTEOSA-N 0 0 450.509 4.663 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359830496 1064513127 /nfs/dbraw/zinc/51/31/27/1064513127.db2.gz KSGOECMWEVYEKZ-QUCCMNQESA-N 0 0 481.563 4.504 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc2)c1 ZINC001435098794 1064513391 /nfs/dbraw/zinc/51/33/91/1064513391.db2.gz BRHXHXPBVWXDOM-MRXNPFEDSA-N 0 0 452.473 4.762 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCc1ccc(Br)s1 ZINC001359830880 1064513620 /nfs/dbraw/zinc/51/36/20/1064513620.db2.gz SHFSSQNJVCVJIW-MRXNPFEDSA-N 0 0 477.476 4.661 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(N(C)C)cc1 ZINC001359830926 1064513804 /nfs/dbraw/zinc/51/38/04/1064513804.db2.gz TUHCCCHEYHOUBM-QHCPKHFHSA-N 0 0 498.716 4.869 20 0 JJADRN COc1ccc(C(=O)C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1Cl ZINC001435100843 1064514236 /nfs/dbraw/zinc/51/42/36/1064514236.db2.gz RHOLNBHZEWOOBD-OAHLLOKOSA-N 0 0 454.773 4.989 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359831765 1064514713 /nfs/dbraw/zinc/51/47/13/1064514713.db2.gz BMFLBFKNUKGNPI-SFHVURJKSA-N 0 0 474.650 4.646 20 0 JJADRN Cc1c(NC(=O)c2cccnc2-n2cc(Br)cn2)cccc1OCC(F)(F)F ZINC001359831323 1064514792 /nfs/dbraw/zinc/51/47/92/1064514792.db2.gz BYFZZTXPJVDYOU-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC001435102214 1064514786 /nfs/dbraw/zinc/51/47/86/1064514786.db2.gz ZUIJURZGDDWQNM-UHFFFAOYSA-N 0 0 454.504 4.783 20 0 JJADRN Cc1ccccc1COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC001435101629 1064514892 /nfs/dbraw/zinc/51/48/92/1064514892.db2.gz XUCFGNNLJIQRAH-UHFFFAOYSA-N 0 0 450.560 4.609 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001435102803 1064514927 /nfs/dbraw/zinc/51/49/27/1064514927.db2.gz FKBNJXMJFMVLQN-HXUWFJFHSA-N 0 0 450.576 4.533 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1 ZINC001435104335 1064515439 /nfs/dbraw/zinc/51/54/39/1064515439.db2.gz ZACRGVWQPJIQRN-UHFFFAOYSA-N 0 0 453.441 4.780 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1 ZINC001435104116 1064515488 /nfs/dbraw/zinc/51/54/88/1064515488.db2.gz GJOZDOQZOKUAIK-UHFFFAOYSA-N 0 0 450.438 4.515 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1 ZINC001435105791 1064516164 /nfs/dbraw/zinc/51/61/64/1064516164.db2.gz XQEAQPPFFZHGIT-JOCHJYFZSA-N 0 0 458.558 4.830 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001359832804 1064516696 /nfs/dbraw/zinc/51/66/96/1064516696.db2.gz COEDBJIOIGVAPE-MOPGFXCFSA-N 0 0 452.498 4.748 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCc2cc(F)ccc2Br)c1 ZINC001435107507 1064516816 /nfs/dbraw/zinc/51/68/16/1064516816.db2.gz DQUMNDUVFCVOAR-UHFFFAOYSA-N 0 0 456.377 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H](C)Sc1ccccc1 ZINC001359832864 1064517073 /nfs/dbraw/zinc/51/70/73/1064517073.db2.gz PTTFBPAAYUWJDR-NHCUHLMSSA-N 0 0 457.688 4.646 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C2(c3ccc(Br)cc3)CC2)c1 ZINC001435107849 1064517795 /nfs/dbraw/zinc/51/77/95/1064517795.db2.gz GVAZUHYWILLRRV-UHFFFAOYSA-N 0 0 450.398 4.833 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108309 1064518289 /nfs/dbraw/zinc/51/82/89/1064518289.db2.gz FORMACVKSAZBPQ-RRWZXMNXSA-N 0 0 450.598 4.868 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)Cc1ccc2cnccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108955 1064518472 /nfs/dbraw/zinc/51/84/72/1064518472.db2.gz JHVFTTNXWPGFEA-PIKZIKFNSA-N 0 0 457.618 4.790 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359833272 1064518360 /nfs/dbraw/zinc/51/83/60/1064518360.db2.gz VUSMEWNOEBITIX-IBVKSMDESA-N 0 0 477.694 4.549 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001359833407 1064518577 /nfs/dbraw/zinc/51/85/77/1064518577.db2.gz IIIWTFINJRSURA-FRQCXROJSA-N 0 0 451.375 4.646 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)cc1C ZINC001359833931 1064519831 /nfs/dbraw/zinc/51/98/31/1064519831.db2.gz PTHPWUIQWVLTGZ-IBGZPJMESA-N 0 0 451.514 4.542 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCOc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435110680 1064519863 /nfs/dbraw/zinc/51/98/63/1064519863.db2.gz BKUMWXAHTZTPNA-QSAZIKIQSA-N 0 0 458.961 4.850 20 0 JJADRN C[C@@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001435110654 1064520120 /nfs/dbraw/zinc/52/01/20/1064520120.db2.gz NPLFHTACRVDQQV-IIBYNOLFSA-N 0 0 453.336 4.713 20 0 JJADRN COCc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)sc2cccc(F)c21 ZINC001359834126 1064520171 /nfs/dbraw/zinc/52/01/71/1064520171.db2.gz VNZSUCGZMWJOQC-SFHVURJKSA-N 0 0 458.580 4.957 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC001435111117 1064520305 /nfs/dbraw/zinc/52/03/05/1064520305.db2.gz PJSBKCWJSQXLEK-ZDUSSCGKSA-N 0 0 456.630 4.513 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCOc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435110692 1064520408 /nfs/dbraw/zinc/52/04/08/1064520408.db2.gz BKUMWXAHTZTPNA-WLENULPWSA-N 0 0 458.961 4.850 20 0 JJADRN CCCc1c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cnn1Cc1ccccc1 ZINC001435111299 1064520536 /nfs/dbraw/zinc/52/05/36/1064520536.db2.gz WCBFBXSMNPBRGR-UHFFFAOYSA-N 0 0 453.608 4.850 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435112109 1064520980 /nfs/dbraw/zinc/52/09/80/1064520980.db2.gz LDGSZOVOGFPDKB-VQIMIIECSA-N 0 0 459.974 4.682 20 0 JJADRN O=C(NCCc1cccc(OCCCc2ccccc2)c1)C1([C@H]2CCCCO2)CCOCC1 ZINC001435111754 1064521115 /nfs/dbraw/zinc/52/11/15/1064521115.db2.gz ULLZMXBHZCIGMD-AREMUKBSSA-N 0 0 451.607 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001359834808 1064521188 /nfs/dbraw/zinc/52/11/88/1064521188.db2.gz MBFULSRJFXTLRG-CUYJMHBOSA-N 0 0 481.685 4.776 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359834748 1064521295 /nfs/dbraw/zinc/52/12/95/1064521295.db2.gz KOJGFNGNDGTTGP-GOSISDBHSA-N 0 0 474.719 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1 ZINC001435113257 1064521524 /nfs/dbraw/zinc/52/15/24/1064521524.db2.gz RBXQSGFDXGOWKE-QGZVFWFLSA-N 0 0 451.552 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001359834994 1064521921 /nfs/dbraw/zinc/52/19/21/1064521921.db2.gz PQRANFCRMSNMEX-DHLKQENFSA-N 0 0 483.701 4.530 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001435114708 1064522310 /nfs/dbraw/zinc/52/23/10/1064522310.db2.gz NSPROLSVWWIFJP-GOSISDBHSA-N 0 0 456.608 4.642 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001435115112 1064522359 /nfs/dbraw/zinc/52/23/59/1064522359.db2.gz RAGSZVIMSKRTLR-QGZVFWFLSA-N 0 0 454.592 4.703 20 0 JJADRN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001435114996 1064522399 /nfs/dbraw/zinc/52/23/99/1064522399.db2.gz AGDAWGSDOXVFLB-UHFFFAOYSA-N 0 0 459.449 4.579 20 0 JJADRN Cc1ccc2c(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)cc(-c3cnn(C)c3)nc2c1C ZINC001435114913 1064522523 /nfs/dbraw/zinc/52/25/23/1064522523.db2.gz PPWGXCFHFXCEOZ-UHFFFAOYSA-N 0 0 455.562 4.951 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC001435115331 1064522935 /nfs/dbraw/zinc/52/29/35/1064522935.db2.gz XIKFZFDENDKQPT-UHFFFAOYSA-N 0 0 455.234 4.700 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001435115458 1064522963 /nfs/dbraw/zinc/52/29/63/1064522963.db2.gz FEJBIUYRGIFQPT-ZDUSSCGKSA-N 0 0 451.420 4.761 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2ccco2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359836685 1064523524 /nfs/dbraw/zinc/52/35/24/1064523524.db2.gz OADIPWJENPYZND-FQEVSTJZSA-N 0 0 455.603 4.978 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001359837872 1064524612 /nfs/dbraw/zinc/52/46/12/1064524612.db2.gz OZRIHKITICOFBV-ZHRRBRCNSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)CCc3cc(Cl)ccc3Br)cc2)no1 ZINC001435117251 1064524843 /nfs/dbraw/zinc/52/48/43/1064524843.db2.gz BZRMQOXOAILMLI-UHFFFAOYSA-N 0 0 450.720 4.944 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001435117430 1064524875 /nfs/dbraw/zinc/52/48/75/1064524875.db2.gz CYGWDWSTUPBNJV-HSZRJFAPSA-N 0 0 450.583 4.546 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC001359838314 1064525285 /nfs/dbraw/zinc/52/52/85/1064525285.db2.gz YLIUHNAQZMINHZ-SZNDQCEHSA-N 0 0 457.040 4.600 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001435119587 1064525766 /nfs/dbraw/zinc/52/57/66/1064525766.db2.gz NQBWIHGSPHSENG-OAQYLSRUSA-N 0 0 456.995 4.916 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359840507 1064526832 /nfs/dbraw/zinc/52/68/32/1064526832.db2.gz IGTQEKWUONLNDX-UHFFFAOYSA-N 0 0 481.685 4.813 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H]1CC=CCC1 ZINC001359840595 1064526864 /nfs/dbraw/zinc/52/68/64/1064526864.db2.gz LEKXPCGHCIAMOQ-HXUWFJFHSA-N 0 0 456.034 4.839 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCc1c(F)cccc1F ZINC001359840535 1064526932 /nfs/dbraw/zinc/52/69/32/1064526932.db2.gz JLRALXINLCNXOV-UHFFFAOYSA-N 0 0 473.612 4.617 20 0 JJADRN COC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1cccc(C(F)(F)F)c1 ZINC001435120448 1064527008 /nfs/dbraw/zinc/52/70/08/1064527008.db2.gz QHPOIKZTAWTSHV-YDZRNGNQSA-N 0 0 454.286 4.858 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1Cl)c1ccncc1 ZINC001435120962 1064527030 /nfs/dbraw/zinc/52/70/30/1064527030.db2.gz AYPQPIBXBKXWLX-OAHLLOKOSA-N 0 0 455.301 4.705 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359840919 1064527359 /nfs/dbraw/zinc/52/73/59/1064527359.db2.gz VJEOWMKZZNUDJX-HXUWFJFHSA-N 0 0 451.606 4.531 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545888761 1064527391 /nfs/dbraw/zinc/52/73/91/1064527391.db2.gz XLTGNOMJWFIARC-IRXDYDNUSA-N 0 0 474.049 4.616 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(SC)cc2)c1 ZINC001435121289 1064527536 /nfs/dbraw/zinc/52/75/36/1064527536.db2.gz WEZKQWXSORLZOY-UHFFFAOYSA-N 0 0 457.573 4.852 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCc1ccc(Cl)cc1 ZINC001359840923 1064527489 /nfs/dbraw/zinc/52/74/89/1064527489.db2.gz VKHKTHWEZYLMCB-UHFFFAOYSA-N 0 0 472.058 4.787 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cnn(C)c1Cc1ccccc1 ZINC001435121744 1064528009 /nfs/dbraw/zinc/52/80/09/1064528009.db2.gz XGHDCINOWKQSGF-UHFFFAOYSA-N 0 0 455.558 4.741 20 0 JJADRN CC(C)COc1ncccc1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001435122308 1064528107 /nfs/dbraw/zinc/52/81/07/1064528107.db2.gz ZNIKHXUPAXALFS-UHFFFAOYSA-N 0 0 452.938 4.962 20 0 JJADRN COC[C@@H](NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)c1cccc(C(F)(F)F)c1 ZINC001435121730 1064528164 /nfs/dbraw/zinc/52/81/64/1064528164.db2.gz YBSJPUYYHIEDPQ-QGZVFWFLSA-N 0 0 456.827 4.505 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2nc(F)ccc2Br)cc1 ZINC001435122871 1064528423 /nfs/dbraw/zinc/52/84/23/1064528423.db2.gz DCFGAVPOQVYTSW-ROUUACIJSA-N 0 0 451.336 4.892 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC(OCCc3ccccc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435122919 1064528768 /nfs/dbraw/zinc/52/87/68/1064528768.db2.gz DMTQDWJWDDIMCU-GOTSBHOMSA-N 0 0 454.567 4.500 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(OC(F)F)c1 ZINC001359841964 1064529012 /nfs/dbraw/zinc/52/90/12/1064529012.db2.gz IKTYAEBHFNLGSJ-UHFFFAOYSA-N 0 0 454.429 4.604 20 0 JJADRN CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359842994 1064529559 /nfs/dbraw/zinc/52/95/59/1064529559.db2.gz IQHYSUHFBBMZRT-NRFANRHFSA-N 0 0 489.542 4.829 20 0 JJADRN O=C(Cc1cn2cc(F)ccc2n1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001435123593 1064529580 /nfs/dbraw/zinc/52/95/80/1064529580.db2.gz URARGHSSMXMBKJ-UHFFFAOYSA-N 0 0 458.280 4.609 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC001435124658 1064530786 /nfs/dbraw/zinc/53/07/86/1064530786.db2.gz TXLKWRQXUASYIN-UHFFFAOYSA-N 0 0 450.457 4.748 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(C)c(C(N)=O)c3)c12 ZINC001359845620 1064531254 /nfs/dbraw/zinc/53/12/54/1064531254.db2.gz VVQWOBXGFVPFIU-UHFFFAOYSA-N 0 0 454.408 4.877 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)C1 ZINC001359845013 1064531286 /nfs/dbraw/zinc/53/12/86/1064531286.db2.gz OGJYAANTINCZOL-IAGOWNOFSA-N 0 0 454.514 4.562 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cnn(-c3nc(CC)cs3)c2)cc1 ZINC001435125274 1064531316 /nfs/dbraw/zinc/53/13/16/1064531316.db2.gz XMFWCBYRUUPLLJ-FGZHOGPDSA-N 0 0 454.596 4.800 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1NC(=O)C(C)(C)C ZINC001435125412 1064531422 /nfs/dbraw/zinc/53/14/22/1064531422.db2.gz HJHBXGNYQMVKNB-UHFFFAOYSA-N 0 0 457.521 4.749 20 0 JJADRN O=C(OCc1ccc(Br)cc1)c1ccccc1OC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001359845512 1064531332 /nfs/dbraw/zinc/53/13/32/1064531332.db2.gz QBDLMDHRJUIMMM-VQTJNVASSA-N 0 0 459.336 4.774 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359845712 1064531350 /nfs/dbraw/zinc/53/13/50/1064531350.db2.gz ACXYHTBPAYWUJA-VXKWHMMOSA-N 0 0 491.602 4.737 20 0 JJADRN CCN(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125929 1064531786 /nfs/dbraw/zinc/53/17/86/1064531786.db2.gz UQIMDBSJFIENMP-HOTGVXAUSA-N 0 0 457.514 4.734 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001359845795 1064531794 /nfs/dbraw/zinc/53/17/94/1064531794.db2.gz DFEMAMUBUIJVGV-UHFFFAOYSA-N 0 0 476.040 4.936 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC(C)(C)C(F)(F)F ZINC001359845873 1064531951 /nfs/dbraw/zinc/53/19/51/1064531951.db2.gz GJLWIYKUBCCAOK-UHFFFAOYSA-N 0 0 471.955 4.681 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001359846642 1064532368 /nfs/dbraw/zinc/53/23/68/1064532368.db2.gz FPBBLNIWPAGUKN-VAMGGRTRSA-N 0 0 483.657 4.855 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(-n2cccc2)cc1 ZINC001435126954 1064532892 /nfs/dbraw/zinc/53/28/92/1064532892.db2.gz UHEHMVBAXAMCMY-UHFFFAOYSA-N 0 0 452.482 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001545888818 1064534030 /nfs/dbraw/zinc/53/40/30/1064534030.db2.gz YQVLFNOEFOOXBK-NFBKMPQASA-N 0 0 453.631 4.650 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC001435128433 1064534078 /nfs/dbraw/zinc/53/40/78/1064534078.db2.gz RHPDUVPTQHPOOS-FQEVSTJZSA-N 0 0 456.587 4.649 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC001435129565 1064534890 /nfs/dbraw/zinc/53/48/90/1064534890.db2.gz DXQPRCJKXBIYLQ-QFIPXVFZSA-N 0 0 455.396 4.877 20 0 JJADRN Cc1cc(CCC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc1Br ZINC001435129308 1064535027 /nfs/dbraw/zinc/53/50/27/1064535027.db2.gz KIBPNVAEXKHTJC-MRXNPFEDSA-N 0 0 453.327 4.687 20 0 JJADRN Cc1cc(CCC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)ccc1Br ZINC001435129307 1064535081 /nfs/dbraw/zinc/53/50/81/1064535081.db2.gz KIBPNVAEXKHTJC-INIZCTEOSA-N 0 0 453.327 4.687 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCCc1ccc(Br)cc1 ZINC001435130325 1064535696 /nfs/dbraw/zinc/53/56/96/1064535696.db2.gz HXHVEMVZCJBCIQ-MOPGFXCFSA-N 0 0 453.421 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC(F)(F)Br ZINC001359849981 1064535881 /nfs/dbraw/zinc/53/58/81/1064535881.db2.gz NPVCUKSVQSNYHW-CQSZACIVSA-N 0 0 492.359 4.626 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001435131112 1064535939 /nfs/dbraw/zinc/53/59/39/1064535939.db2.gz NBSZDSNEGZTUGP-HUUCEWRRSA-N 0 0 455.407 4.937 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H](C)c1nccs1 ZINC001359849544 1064535995 /nfs/dbraw/zinc/53/59/95/1064535995.db2.gz JYVHMSVSMKDIHH-MSOLQXFVSA-N 0 0 474.625 4.898 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001359850102 1064536012 /nfs/dbraw/zinc/53/60/12/1064536012.db2.gz ODGKTBYIJFOCSB-OALUTQOASA-N 0 0 458.701 4.757 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001359850106 1064536232 /nfs/dbraw/zinc/53/62/32/1064536232.db2.gz ODGKTBYIJFOCSB-RTBURBONSA-N 0 0 458.701 4.757 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001435131111 1064536186 /nfs/dbraw/zinc/53/61/86/1064536186.db2.gz NBSZDSNEGZTUGP-GJZGRUSLSA-N 0 0 455.407 4.937 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC001435132523 1064536725 /nfs/dbraw/zinc/53/67/25/1064536725.db2.gz AQNCOSZCFBNASF-UHFFFAOYSA-N 0 0 451.500 4.701 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCCCS1 ZINC001359850818 1064537734 /nfs/dbraw/zinc/53/77/34/1064537734.db2.gz XQFZLMCEHSQPEM-AZUAARDMSA-N 0 0 463.642 4.924 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001435135502 1064538978 /nfs/dbraw/zinc/53/89/78/1064538978.db2.gz DIMSOWSAIUCXRS-QZEGLACASA-N 0 0 453.482 4.700 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359851940 1064538980 /nfs/dbraw/zinc/53/89/80/1064538980.db2.gz HUXWCTQXSJEJDC-UHFFFAOYSA-N 0 0 479.648 4.663 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 ZINC001435136364 1064539348 /nfs/dbraw/zinc/53/93/48/1064539348.db2.gz VMRDTJRRTFZQFA-UHFFFAOYSA-N 0 0 453.589 4.567 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001435137202 1064539678 /nfs/dbraw/zinc/53/96/78/1064539678.db2.gz YSZDCOBUVXCBQO-UHFFFAOYSA-N 0 0 451.542 4.583 20 0 JJADRN Cc1ccccc1[C@H](CC(C)C)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001435138551 1064540251 /nfs/dbraw/zinc/54/02/51/1064540251.db2.gz IUVCMZITQNYHJQ-NRFANRHFSA-N 0 0 456.384 4.761 20 0 JJADRN Cc1ccc(F)c(-n2nc(C(=O)NCCCc3cccc(Br)c3)c3c2CCC3)c1 ZINC001435138888 1064540394 /nfs/dbraw/zinc/54/03/94/1064540394.db2.gz WCBLMIWPYZRUEA-UHFFFAOYSA-N 0 0 456.359 4.934 20 0 JJADRN COc1cc(Br)c(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC001359853424 1064540723 /nfs/dbraw/zinc/54/07/23/1064540723.db2.gz BLGATJDSALZVSW-HNNXBMFYSA-N 0 0 450.373 4.982 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CCc1ccc(Cl)cc1 ZINC001359853548 1064540750 /nfs/dbraw/zinc/54/07/50/1064540750.db2.gz JFFTWQYEFJBGDJ-UHFFFAOYSA-N 0 0 468.049 4.613 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)Oc2c(Cl)cc(Br)cc2Cl)CC1=O ZINC001435140107 1064540943 /nfs/dbraw/zinc/54/09/43/1064540943.db2.gz USBRFCYPQURTMC-JTQLQIEISA-N 0 0 459.123 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359854141 1064541249 /nfs/dbraw/zinc/54/12/49/1064541249.db2.gz PXAFXUMWWSEHGE-SJORKVTESA-N 0 0 454.516 4.631 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCCO[C@H]3CCC[C@H](C)C3)CC2)c1 ZINC001435140828 1064541446 /nfs/dbraw/zinc/54/14/46/1064541446.db2.gz BGFFTBAKVISRDS-QTJGBDASSA-N 0 0 458.643 4.589 20 0 JJADRN O=C(N[C@@H]1CCc2c1cccc2Br)c1cnnn1-c1c(Cl)cccc1Cl ZINC001359854656 1064541765 /nfs/dbraw/zinc/54/17/65/1064541765.db2.gz PPVLVNOVLCSMSZ-OAHLLOKOSA-N 0 0 452.139 4.754 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359854723 1064541878 /nfs/dbraw/zinc/54/18/78/1064541878.db2.gz ZFONENJIJLJPRM-FQEVSTJZSA-N 0 0 475.632 4.932 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2cc(Br)cc(C)c2C)cc1OC ZINC001359854667 1064541995 /nfs/dbraw/zinc/54/19/95/1064541995.db2.gz PTOOKLBFGPMPBP-UHFFFAOYSA-N 0 0 457.162 4.776 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 ZINC001435141890 1064541895 /nfs/dbraw/zinc/54/18/95/1064541895.db2.gz FPAWKCUQULPJQQ-JOCHJYFZSA-N 0 0 456.924 4.984 20 0 JJADRN Cc1cc(Br)oc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001435141900 1064541978 /nfs/dbraw/zinc/54/19/78/1064541978.db2.gz FRLJJZVMQDXNST-CYBMUJFWSA-N 0 0 456.178 4.632 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)cc1 ZINC001435141521 1064542112 /nfs/dbraw/zinc/54/21/12/1064542112.db2.gz CSPLIWOTEHQRIQ-SXGWCWSVSA-N 0 0 454.570 4.930 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c1 ZINC001435141240 1064542132 /nfs/dbraw/zinc/54/21/32/1064542132.db2.gz DWRKAGFRPCTXAO-SFHVURJKSA-N 0 0 452.938 4.660 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001435142552 1064543128 /nfs/dbraw/zinc/54/31/28/1064543128.db2.gz JMNYKRBBSXIIOO-JTHBVZDNSA-N 0 0 450.579 4.687 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC001435142617 1064543203 /nfs/dbraw/zinc/54/32/03/1064543203.db2.gz KQJZKLRIPKPBLH-SFHVURJKSA-N 0 0 452.938 4.660 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1F ZINC001435143034 1064543493 /nfs/dbraw/zinc/54/34/93/1064543493.db2.gz TVEVHJVCWGOFAN-PMERELPUSA-N 0 0 459.852 4.732 20 0 JJADRN COc1ccc2cc(C(=O)N3CCN([C@@H](C)c4ccc(Br)cc4)CC3)cnc2c1 ZINC001435143374 1064543596 /nfs/dbraw/zinc/54/35/96/1064543596.db2.gz MZCHGEFWQATVJL-INIZCTEOSA-N 0 0 454.368 4.525 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC001435143309 1064543613 /nfs/dbraw/zinc/54/36/13/1064543613.db2.gz MLAWDBAJIOQUTM-CLOONOSVSA-N 0 0 458.549 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359856178 1064544057 /nfs/dbraw/zinc/54/40/57/1064544057.db2.gz WTAJPJUPGCDZEB-NRFANRHFSA-N 0 0 484.714 4.648 20 0 JJADRN CCN(CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C)C(=O)OC(C)(C)C ZINC001359857091 1064544152 /nfs/dbraw/zinc/54/41/52/1064544152.db2.gz PRQGYHKOXNJHHW-QFIPXVFZSA-N 0 0 451.567 4.539 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3CC)CC2)cc1 ZINC001435143778 1064544065 /nfs/dbraw/zinc/54/40/65/1064544065.db2.gz ZJYVLPVGINLZEA-QFIPXVFZSA-N 0 0 450.623 4.663 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001435143732 1064544223 /nfs/dbraw/zinc/54/42/23/1064544223.db2.gz YQLNAIBBFHECIX-UHFFFAOYSA-N 0 0 453.424 4.555 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 ZINC001435143693 1064544277 /nfs/dbraw/zinc/54/42/77/1064544277.db2.gz YFTMTSYIOXUEAD-YTTGMZPUSA-N 0 0 458.465 4.672 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435145008 1064545314 /nfs/dbraw/zinc/54/53/14/1064545314.db2.gz ZGRTXQFFZMUSDV-UTKZUKDTSA-N 0 0 455.396 4.706 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 ZINC001435145560 1064545856 /nfs/dbraw/zinc/54/58/56/1064545856.db2.gz XXKJSXZTEXKJBQ-OAHLLOKOSA-N 0 0 458.331 4.762 20 0 JJADRN COc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001435145744 1064546454 /nfs/dbraw/zinc/54/64/54/1064546454.db2.gz BELKUTOIHANUKL-UHFFFAOYSA-N 0 0 458.530 4.889 20 0 JJADRN CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)cc1 ZINC001435145798 1064546481 /nfs/dbraw/zinc/54/64/81/1064546481.db2.gz USCZIXQASIQIQA-UHFFFAOYSA-N 0 0 455.923 4.583 20 0 JJADRN CC(=O)NCc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001435146131 1064547015 /nfs/dbraw/zinc/54/70/15/1064547015.db2.gz ZTCVKVBYOYKHEQ-UHFFFAOYSA-N 0 0 455.514 4.593 20 0 JJADRN CCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001359859239 1064547310 /nfs/dbraw/zinc/54/73/10/1064547310.db2.gz YRTMAFORJBCOBX-LOSJGSFVSA-N 0 0 450.604 4.546 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c2ccccc2)cc1 ZINC001435147193 1064547634 /nfs/dbraw/zinc/54/76/34/1064547634.db2.gz DFSRFYHDRPCODG-KAYWLYCHSA-N 0 0 455.602 4.984 20 0 JJADRN CCCCc1nc(-c2ccc(OC(=O)[C@H]3CC(=O)N(c4ccc(SC)cc4)C3)cc2)no1 ZINC001435148074 1064548010 /nfs/dbraw/zinc/54/80/10/1064548010.db2.gz JHRVWACRXYRMNX-KRWDZBQOSA-N 0 0 451.548 4.760 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC001435147965 1064548022 /nfs/dbraw/zinc/54/80/22/1064548022.db2.gz GXZYCSODPDOYCZ-QHCPKHFHSA-N 0 0 459.619 4.909 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N[C@H](Cc2ccccc2)c2sccc2C)cc1 ZINC001435147911 1064548141 /nfs/dbraw/zinc/54/81/41/1064548141.db2.gz GXUYKKBPPXFRBW-OAQYLSRUSA-N 0 0 454.617 4.837 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001435148779 1064548606 /nfs/dbraw/zinc/54/86/06/1064548606.db2.gz KWJLOGWNGRKMSV-HXUWFJFHSA-N 0 0 450.476 4.579 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001435148818 1064549352 /nfs/dbraw/zinc/54/93/52/1064549352.db2.gz LMXMBOYFZZOXBD-JOCHJYFZSA-N 0 0 457.412 4.625 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435149741 1064549943 /nfs/dbraw/zinc/54/99/43/1064549943.db2.gz VHDROZBYIMOOMO-NRFANRHFSA-N 0 0 452.457 4.641 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC001435150386 1064550386 /nfs/dbraw/zinc/55/03/86/1064550386.db2.gz ULPIWLUGTCSYII-INIZCTEOSA-N 0 0 455.146 4.810 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3sc(-c4ccc(C)cc4F)nc3C)sc21 ZINC001435150480 1064550474 /nfs/dbraw/zinc/55/04/74/1064550474.db2.gz RELDHVQVAYPRHU-UHFFFAOYSA-N 0 0 456.524 4.918 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N(CCc2ccc(OC)cc2)CC(C)(C)C)c1=O ZINC001435150799 1064551011 /nfs/dbraw/zinc/55/10/11/1064551011.db2.gz VMKCLMXVSMRVQG-UHFFFAOYSA-N 0 0 451.611 4.729 20 0 JJADRN CC(C)n1ncc(C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)c1I ZINC001435152277 1064551619 /nfs/dbraw/zinc/55/16/19/1064551619.db2.gz FEABRVDVMGNDOW-SNVBAGLBSA-N 0 0 450.223 4.588 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC001435151566 1064551656 /nfs/dbraw/zinc/55/16/56/1064551656.db2.gz DQWZTHSMXJDAEQ-SFHVURJKSA-N 0 0 453.896 4.859 20 0 JJADRN CCCc1nc(C(=O)OCc2ccc(OC)cc2OC(F)F)nn1-c1ccccc1Cl ZINC001435152538 1064551750 /nfs/dbraw/zinc/55/17/50/1064551750.db2.gz KBWDROFCQAENGJ-UHFFFAOYSA-N 0 0 451.857 4.840 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1Cc1cc(Br)cs1 ZINC001359861544 1064552025 /nfs/dbraw/zinc/55/20/25/1064552025.db2.gz YUKTXEJTGDFSHG-UHFFFAOYSA-N 0 0 480.501 4.733 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)c(F)c1 ZINC001435154143 1064552262 /nfs/dbraw/zinc/55/22/62/1064552262.db2.gz NWNLCXIPRHLTEV-OAQYLSRUSA-N 0 0 457.843 4.561 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ccc1F ZINC001435154550 1064552634 /nfs/dbraw/zinc/55/26/34/1064552634.db2.gz ISXYFBFTELXRTP-DHUIEDIVSA-N 0 0 452.979 4.637 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001435154245 1064552703 /nfs/dbraw/zinc/55/27/03/1064552703.db2.gz HFOJMRPOJOJQEN-UHFFFAOYSA-N 0 0 455.576 4.850 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1ccc(Cn2ccccc2=O)o1 ZINC001435155206 1064552774 /nfs/dbraw/zinc/55/27/74/1064552774.db2.gz ULCSWCPKVCFEQN-QHCPKHFHSA-N 0 0 454.860 4.941 20 0 JJADRN C[C@@H](C(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc(Br)s1 ZINC001359861957 1064552998 /nfs/dbraw/zinc/55/29/98/1064552998.db2.gz MNWOMAOMUOXYTG-CYBMUJFWSA-N 0 0 450.427 4.568 20 0 JJADRN CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c2ccccc2n1 ZINC001435155814 1064553017 /nfs/dbraw/zinc/55/30/17/1064553017.db2.gz MBXXYXTVMWXXDO-OAQYLSRUSA-N 0 0 453.489 4.885 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)ccc1N1CCNC1=O ZINC001435155809 1064553089 /nfs/dbraw/zinc/55/30/89/1064553089.db2.gz XGWHGLLSFQJXMT-JOCHJYFZSA-N 0 0 455.892 4.976 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)ccc1N1CCNC1=O ZINC001435155815 1064553170 /nfs/dbraw/zinc/55/31/70/1064553170.db2.gz XGWHGLLSFQJXMT-QFIPXVFZSA-N 0 0 455.892 4.976 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1 ZINC001435155225 1064553216 /nfs/dbraw/zinc/55/32/16/1064553216.db2.gz MUZWEQYDQZUUOJ-VQUVXCFPSA-N 0 0 456.999 4.843 20 0 JJADRN CCc1sc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1Br ZINC001359862734 1064553521 /nfs/dbraw/zinc/55/35/21/1064553521.db2.gz ZMMDFKWIWKVWQP-UHFFFAOYSA-N 0 0 450.427 4.641 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001435157486 1064554114 /nfs/dbraw/zinc/55/41/14/1064554114.db2.gz MZTMVLSECXEMNT-JPQMRUPTSA-N 0 0 454.498 4.545 20 0 JJADRN Cc1c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001435158262 1064554782 /nfs/dbraw/zinc/55/47/82/1064554782.db2.gz MODICXFUCHEDPM-UHFFFAOYSA-N 0 0 450.436 4.707 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001359865004 1064554809 /nfs/dbraw/zinc/55/48/09/1064554809.db2.gz UXJJKPXMTWYKFB-MHZLTWQESA-N 0 0 468.690 4.942 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC001435159252 1064555456 /nfs/dbraw/zinc/55/54/56/1064555456.db2.gz CRZACJXHDMFRPI-HHHXNRCGSA-N 0 0 454.386 4.766 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001359865833 1064556583 /nfs/dbraw/zinc/55/65/83/1064556583.db2.gz JQDMICYNYIZLDS-LZJOCLMNSA-N 0 0 450.986 4.662 20 0 JJADRN O=C(Cc1csc(-c2ccccn2)n1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435161378 1064556888 /nfs/dbraw/zinc/55/68/88/1064556888.db2.gz DDWITBUYGBTCEF-UHFFFAOYSA-N 0 0 458.366 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@](C)(O)c1cccs1 ZINC001359866221 1064556832 /nfs/dbraw/zinc/55/68/32/1064556832.db2.gz ODANXCKPDCWTSS-DVECYGJZSA-N 0 0 492.592 4.625 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 ZINC001435161208 1064556929 /nfs/dbraw/zinc/55/69/29/1064556929.db2.gz BTSSEPGHYZPTPM-UHFFFAOYSA-N 0 0 459.333 4.776 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H]1c1ccccc1 ZINC001435161607 1064557284 /nfs/dbraw/zinc/55/72/84/1064557284.db2.gz BWOLDOJMTDQOQV-XPIZARPCSA-N 0 0 459.409 4.507 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001435161909 1064557456 /nfs/dbraw/zinc/55/74/56/1064557456.db2.gz HZRGEEHNSRACOQ-UHFFFAOYSA-N 0 0 457.330 4.712 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CCCOC1CCOCC1 ZINC001359866380 1064557414 /nfs/dbraw/zinc/55/74/14/1064557414.db2.gz QENADUMHPPXJDJ-QFIPXVFZSA-N 0 0 497.467 4.947 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@H]1CSCCS1 ZINC001359866591 1064558029 /nfs/dbraw/zinc/55/80/29/1064558029.db2.gz VESKNSGSBRISMK-RBUKOAKNSA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@H]1CSCCS1 ZINC001359866634 1064558227 /nfs/dbraw/zinc/55/82/27/1064558227.db2.gz VYTIPBMQLITWAB-OALUTQOASA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001359866513 1064558270 /nfs/dbraw/zinc/55/82/70/1064558270.db2.gz SUJOYXXJKOMGBE-RRPUWOKSSA-N 0 0 491.474 4.878 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccccc1 ZINC001435162285 1064558329 /nfs/dbraw/zinc/55/83/29/1064558329.db2.gz QTFNLCLWPCIRFD-GFJKYASSSA-N 0 0 458.624 4.981 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C[C@@H]1CSCCS1 ZINC001359866636 1064558664 /nfs/dbraw/zinc/55/86/64/1064558664.db2.gz VYTIPBMQLITWAB-RTBURBONSA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359866656 1064558676 /nfs/dbraw/zinc/55/86/76/1064558676.db2.gz WNVAMBQEUQABNV-XLIONFOSSA-N 0 0 478.037 4.621 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C[C@H]1CSCCS1 ZINC001359866635 1064558685 /nfs/dbraw/zinc/55/86/85/1064558685.db2.gz VYTIPBMQLITWAB-RBUKOAKNSA-N 0 0 453.077 4.557 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(Cl)c1 ZINC001435162914 1064559030 /nfs/dbraw/zinc/55/90/30/1064559030.db2.gz UTELWAFFCBTMQB-UHFFFAOYSA-N 0 0 451.697 4.950 20 0 JJADRN Cc1cc(NC(=O)Cc2ccc(Br)c(F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001359866880 1064559070 /nfs/dbraw/zinc/55/90/70/1064559070.db2.gz CIUPJEFFQYNGOV-UHFFFAOYSA-N 0 0 457.225 4.677 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001359866980 1064559131 /nfs/dbraw/zinc/55/91/31/1064559131.db2.gz GOMPUOCKQRRYEO-VAWYXSNFSA-N 0 0 456.945 4.798 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC001435163377 1064559486 /nfs/dbraw/zinc/55/94/86/1064559486.db2.gz XXKIOXDIAGKQKV-DHMKHTPVSA-N 0 0 450.963 4.518 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2ncc(Br)cc2Br)[C@@H]1c1ccccc1 ZINC001435163752 1064559512 /nfs/dbraw/zinc/55/95/12/1064559512.db2.gz KRAHWIDRVKLZFE-ZBEGNZNMSA-N 0 0 456.203 4.925 20 0 JJADRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1NC(=O)C1CCCCC1 ZINC001435163390 1064559538 /nfs/dbraw/zinc/55/95/38/1064559538.db2.gz SZFKHBIUQUZQKB-UHFFFAOYSA-N 0 0 458.580 4.648 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nccs3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359867908 1064559628 /nfs/dbraw/zinc/55/96/28/1064559628.db2.gz FQZFJZJSTPPXJQ-LJQANCHMSA-N 0 0 495.571 4.638 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC001435163386 1064559616 /nfs/dbraw/zinc/55/96/16/1064559616.db2.gz XXKIOXDIAGKQKV-JGVYIQDASA-N 0 0 450.963 4.518 20 0 JJADRN C[C@H]1CCCC[C@@H]1CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001435163903 1064560093 /nfs/dbraw/zinc/56/00/93/1064560093.db2.gz ZZJXNKQBBIOMPQ-QWHCGFSZSA-N 0 0 459.310 4.995 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359868326 1064560292 /nfs/dbraw/zinc/56/02/92/1064560292.db2.gz JOZUBRAVVUIFJD-HXUWFJFHSA-N 0 0 459.541 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359868164 1064560317 /nfs/dbraw/zinc/56/03/17/1064560317.db2.gz IIDBTMARZKPTEO-SFHVURJKSA-N 0 0 478.519 4.628 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001435163898 1064560193 /nfs/dbraw/zinc/56/01/93/1064560193.db2.gz ZZJXNKQBBIOMPQ-CHWSQXEVSA-N 0 0 459.310 4.995 20 0 JJADRN O=C(NCCCNC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(F)c1 ZINC001435165046 1064561013 /nfs/dbraw/zinc/56/10/13/1064561013.db2.gz GQQFBSAUVKCQDO-QFIPXVFZSA-N 0 0 458.892 4.675 20 0 JJADRN CC(C)c1nnc(CCC(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)o1 ZINC001435165263 1064561029 /nfs/dbraw/zinc/56/10/29/1064561029.db2.gz IZQRTDPQWKAUOM-UHFFFAOYSA-N 0 0 451.502 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359868941 1064561153 /nfs/dbraw/zinc/56/11/53/1064561153.db2.gz PNCKQTUVYZZCHY-JQVVWYNYSA-N 0 0 478.584 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001359868940 1064561207 /nfs/dbraw/zinc/56/12/07/1064561207.db2.gz PNCKQTUVYZZCHY-IPJJNNNSSA-N 0 0 478.584 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[C@H]1CCCCO1 ZINC001359869286 1064561839 /nfs/dbraw/zinc/56/18/39/1064561839.db2.gz VNXMHELNZHHNKA-RTBURBONSA-N 0 0 461.676 4.768 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2cc(Cl)ccc2OC)c2ccc(OC)cc2OC)cc1 ZINC001435166245 1064561968 /nfs/dbraw/zinc/56/19/68/1064561968.db2.gz VPZGMXGOVSKSNN-VWLOTQADSA-N 0 0 455.938 4.823 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001435166752 1064562079 /nfs/dbraw/zinc/56/20/79/1064562079.db2.gz KWUALZXMZNRSGY-OAQYLSRUSA-N 0 0 453.340 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](COc3ccccc3)C2)n1Cc1cc(Br)cs1 ZINC001359869873 1064562137 /nfs/dbraw/zinc/56/21/37/1064562137.db2.gz IMDJWIBBONSIER-IBGZPJMESA-N 0 0 491.455 4.633 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001435167478 1064562655 /nfs/dbraw/zinc/56/26/55/1064562655.db2.gz CLNYAVLYYIMVAS-UHFFFAOYSA-N 0 0 451.498 4.887 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(N3CCCCC3)cn2)cnn1-c1cc(F)c(OC)cc1F ZINC001359871008 1064562829 /nfs/dbraw/zinc/56/28/29/1064562829.db2.gz HELWNGPBJFTJKT-UHFFFAOYSA-N 0 0 455.509 4.749 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)O[C@@H](C)C2 ZINC001435167551 1064563043 /nfs/dbraw/zinc/56/30/43/1064563043.db2.gz FNWZPPHBILGYJZ-BUKVSMQUSA-N 0 0 452.551 4.786 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359871449 1064563225 /nfs/dbraw/zinc/56/32/25/1064563225.db2.gz UQZBLLMIIOZTSJ-OAQJYPMSSA-N 0 0 455.549 4.725 20 0 JJADRN CC(C)Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[S@@](=O)C(C)(C)C ZINC001359873125 1064563860 /nfs/dbraw/zinc/56/38/60/1064563860.db2.gz JQDDYWJUXOIRJD-WJOKGBTCSA-N 0 0 459.685 4.617 20 0 JJADRN CC(=O)N[C@H](CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F ZINC001359872903 1064563913 /nfs/dbraw/zinc/56/39/13/1064563913.db2.gz OXLWTVFGYCOHQY-JOCHJYFZSA-N 0 0 456.420 4.529 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cn2)c1C ZINC001435168638 1064564063 /nfs/dbraw/zinc/56/40/63/1064564063.db2.gz LCDMQVUVVJYURB-UHFFFAOYSA-N 0 0 459.955 4.647 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCc1cc(Br)ccc1F ZINC001359874037 1064564317 /nfs/dbraw/zinc/56/43/17/1064564317.db2.gz UZPCYTVZBUWDIB-HUUCEWRRSA-N 0 0 455.441 4.951 20 0 JJADRN CC(C)Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CCNC(=O)OC(C)(C)C ZINC001359873506 1064564416 /nfs/dbraw/zinc/56/44/16/1064564416.db2.gz MQEORCIFZLXGNS-UHFFFAOYSA-N 0 0 470.643 4.595 20 0 JJADRN CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359873847 1064564432 /nfs/dbraw/zinc/56/44/32/1064564432.db2.gz OTBTYNQNKMJGPD-JOCHJYFZSA-N 0 0 488.698 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCSC3(CCCCC3)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001359873503 1064564479 /nfs/dbraw/zinc/56/44/79/1064564479.db2.gz MOCVLOXCSYKSPG-HKBQPEDESA-N 0 0 460.713 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001359874386 1064564944 /nfs/dbraw/zinc/56/49/44/1064564944.db2.gz VFPSJFWRBZOBRM-JOCHJYFZSA-N 0 0 467.639 4.948 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001359874750 1064564957 /nfs/dbraw/zinc/56/49/57/1064564957.db2.gz AFPZTVNCIOOPAO-UHFFFAOYSA-N 0 0 450.397 4.937 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)Nc3ccc(Cl)c(C[S@@](C)=O)c3)c2C(F)(F)F)c1 ZINC001435170201 1064565158 /nfs/dbraw/zinc/56/51/58/1064565158.db2.gz OFTPEYLSQWQUTQ-SSEXGKCCSA-N 0 0 455.889 4.984 20 0 JJADRN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001359875153 1064565359 /nfs/dbraw/zinc/56/53/59/1064565359.db2.gz HYULRAFBVCWCMV-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001435170808 1064565748 /nfs/dbraw/zinc/56/57/48/1064565748.db2.gz NDJAPFUZTJXLND-UHFFFAOYSA-N 0 0 458.403 4.830 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 ZINC001435171951 1064566312 /nfs/dbraw/zinc/56/63/12/1064566312.db2.gz ZBXDPUPDUVMIRZ-UHFFFAOYSA-N 0 0 454.477 4.526 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)ccn1 ZINC001435173138 1064567354 /nfs/dbraw/zinc/56/73/54/1064567354.db2.gz ZOBUDVGWGLFZMT-JGCGQSQUSA-N 0 0 451.548 4.989 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@](=O)C(C)(C)C)C1 ZINC001359877609 1064567719 /nfs/dbraw/zinc/56/77/19/1064567719.db2.gz CLGDGLTXOBJOEH-HEKQDTSFSA-N 0 0 464.651 4.977 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435173963 1064567735 /nfs/dbraw/zinc/56/77/35/1064567735.db2.gz VHSWNXFNCYOCRE-JGCGQSQUSA-N 0 0 452.620 4.759 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359878007 1064569011 /nfs/dbraw/zinc/56/90/11/1064569011.db2.gz ZMBMDMYNQPRAAA-WIYYLYMNSA-N 0 0 489.636 4.885 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001359878343 1064569514 /nfs/dbraw/zinc/56/95/14/1064569514.db2.gz QEGLFCVWZTUNSW-UHFFFAOYSA-N 0 0 452.620 4.861 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c(OC2CCCC2)c1 ZINC001359878497 1064570216 /nfs/dbraw/zinc/57/02/16/1064570216.db2.gz SBPDCWWJOJLASJ-UHFFFAOYSA-N 0 0 454.592 4.766 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CC(OC(C)(C)C)C2)C1 ZINC001359878598 1064570285 /nfs/dbraw/zinc/57/02/85/1064570285.db2.gz KFEWZKQTSCNOIG-NYLDSWQDSA-N 0 0 468.646 4.782 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCOCC2)C1 ZINC001359878693 1064570310 /nfs/dbraw/zinc/57/03/10/1064570310.db2.gz LSLMLEIMGYHIDX-QGZVFWFLSA-N 0 0 495.437 4.651 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cccc(OCc4ccc(C)cc4)c3)CC2=O)cc1 ZINC001435177586 1064570448 /nfs/dbraw/zinc/57/04/48/1064570448.db2.gz FTAQLGKUZMVCGJ-OAQYLSRUSA-N 0 0 457.530 4.524 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNC(=O)C(C)C)C1 ZINC001359878788 1064570559 /nfs/dbraw/zinc/57/05/59/1064570559.db2.gz NCRWOZBKUUWPLL-QGZVFWFLSA-N 0 0 494.453 4.881 20 0 JJADRN CCCN(C(=O)/C(C)=C\c1ccc(Br)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001359878824 1064570630 /nfs/dbraw/zinc/57/06/30/1064570630.db2.gz WUVWQNHQHAFTNC-MSUUIHNZSA-N 0 0 459.384 4.989 20 0 JJADRN COc1ccc(C2(CNC(=O)Cc3ccn(-c4ccc(F)cc4)n3)CCCCC2)cc1OC ZINC001435178368 1064571141 /nfs/dbraw/zinc/57/11/41/1064571141.db2.gz NQIHKNSWUWLAFG-UHFFFAOYSA-N 0 0 451.542 4.589 20 0 JJADRN O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1cccn1-c1c(Cl)cccc1Cl ZINC001435178866 1064571484 /nfs/dbraw/zinc/57/14/84/1064571484.db2.gz BPYDTXSBQHAGBN-UHFFFAOYSA-N 0 0 456.329 4.590 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1 ZINC001435180756 1064572309 /nfs/dbraw/zinc/57/23/09/1064572309.db2.gz MTIZCWBXFSEICK-SSEXGKCCSA-N 0 0 456.511 4.771 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359879384 1064572414 /nfs/dbraw/zinc/57/24/14/1064572414.db2.gz VCMNLVHHBTZRIO-MOPGFXCFSA-N 0 0 480.650 4.643 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC001435180994 1064572596 /nfs/dbraw/zinc/57/25/96/1064572596.db2.gz YHLGUMWUUOCBIG-UHFFFAOYSA-N 0 0 459.546 4.890 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1 ZINC001435181048 1064572638 /nfs/dbraw/zinc/57/26/38/1064572638.db2.gz YWQIFHUTVNUBAD-UHFFFAOYSA-N 0 0 453.564 4.937 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1 ZINC001435181632 1064572741 /nfs/dbraw/zinc/57/27/41/1064572741.db2.gz WYOWIDFQQKKFFM-GDLZYMKVSA-N 0 0 453.347 4.796 20 0 JJADRN C[C@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435184006 1064574004 /nfs/dbraw/zinc/57/40/04/1064574004.db2.gz LCVSGBCQZBWKOH-ZDUSSCGKSA-N 0 0 454.317 4.779 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)CC(F)(F)F)C1 ZINC001359880387 1064573968 /nfs/dbraw/zinc/57/39/68/1064573968.db2.gz FKBHCQRHTWXOLF-SFHVURJKSA-N 0 0 476.547 4.967 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001359880852 1064574455 /nfs/dbraw/zinc/57/44/55/1064574455.db2.gz KHAJVMLHEXGLDR-IBGZPJMESA-N 0 0 458.672 4.692 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC001435184862 1064574728 /nfs/dbraw/zinc/57/47/28/1064574728.db2.gz MWPIJCDODSWVQE-GFCCVEGCSA-N 0 0 456.369 4.723 20 0 JJADRN C[C@H](NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185814 1064575018 /nfs/dbraw/zinc/57/50/18/1064575018.db2.gz SPNSKFLEPGTAAW-OYHNWAKOSA-N 0 0 454.933 4.607 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359881447 1064575189 /nfs/dbraw/zinc/57/51/89/1064575189.db2.gz POYBZQNKEKQYMR-UXHICEINSA-N 0 0 499.656 4.844 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001435186177 1064575563 /nfs/dbraw/zinc/57/55/63/1064575563.db2.gz ULVCBWDJAMZMEZ-MRXNPFEDSA-N 0 0 457.361 4.922 20 0 JJADRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(CS(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC001435186298 1064575829 /nfs/dbraw/zinc/57/58/29/1064575829.db2.gz QDPCYDYWHSLREP-JOCHJYFZSA-N 0 0 454.617 4.883 20 0 JJADRN COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1Cl ZINC001435186425 1064575871 /nfs/dbraw/zinc/57/58/71/1064575871.db2.gz ROJDBXCGIKKINE-UHFFFAOYSA-N 0 0 453.341 4.951 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359882064 1064576089 /nfs/dbraw/zinc/57/60/89/1064576089.db2.gz WXMKXVODDCAHPJ-RTWAWAEBSA-N 0 0 468.646 4.860 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435186555 1064576094 /nfs/dbraw/zinc/57/60/94/1064576094.db2.gz VZSLXQDODNUVPD-AWEZNQCLSA-N 0 0 456.315 4.655 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)NCC(C)(C)CCCc2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001435186656 1064576165 /nfs/dbraw/zinc/57/61/65/1064576165.db2.gz XKRRMXGLERUOKS-RPWUZVMVSA-N 0 0 452.595 4.578 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)c(F)cc1Br ZINC001435186950 1064576724 /nfs/dbraw/zinc/57/67/24/1064576724.db2.gz RPDVWXLHEIJPSS-SFHVURJKSA-N 0 0 451.764 4.911 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001359883601 1064577653 /nfs/dbraw/zinc/57/76/53/1064577653.db2.gz JHUSOMONSGUPNP-PBDKAQRYSA-N 0 0 489.705 4.816 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001359883406 1064577682 /nfs/dbraw/zinc/57/76/82/1064577682.db2.gz JWJZZQZLEYXRIV-PXNSSMCTSA-N 0 0 453.023 4.690 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001359883612 1064577802 /nfs/dbraw/zinc/57/78/02/1064577802.db2.gz JKZPWVAQEKZTOW-HZAQMHFWSA-N 0 0 451.080 4.942 20 0 JJADRN COc1ccc(Br)c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC001435188548 1064577861 /nfs/dbraw/zinc/57/78/61/1064577861.db2.gz AJOQXMKFGAKWDP-UHFFFAOYSA-N 0 0 456.258 4.610 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001435188591 1064577899 /nfs/dbraw/zinc/57/78/99/1064577899.db2.gz ADOJPJVGVPDIAX-KVPUOBJLSA-N 0 0 455.274 4.756 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001359883813 1064578225 /nfs/dbraw/zinc/57/82/25/1064578225.db2.gz JUGZTDKQCRCDFJ-OALUTQOASA-N 0 0 467.536 4.777 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(Br)cn2)C1 ZINC001359884488 1064578813 /nfs/dbraw/zinc/57/88/13/1064578813.db2.gz ONDZTKGZZLXBAA-IBGZPJMESA-N 0 0 489.437 4.930 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)C1 ZINC001359884774 1064579090 /nfs/dbraw/zinc/57/90/90/1064579090.db2.gz QHPWEMBQTWYNSK-UNMCSNQZSA-N 0 0 487.620 4.646 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190129 1064579553 /nfs/dbraw/zinc/57/95/53/1064579553.db2.gz GFVVBMGBVKVVAG-RHSMWYFYSA-N 0 0 455.393 4.579 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190066 1064579600 /nfs/dbraw/zinc/57/96/00/1064579600.db2.gz GFVVBMGBVKVVAG-PBHICJAKSA-N 0 0 455.393 4.579 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001359885151 1064579779 /nfs/dbraw/zinc/57/97/79/1064579779.db2.gz WHGSODOQFOTGLS-FQEVSTJZSA-N 0 0 453.034 4.904 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(-c3ccccc3)ns1)C2=O ZINC001435190133 1064579741 /nfs/dbraw/zinc/57/97/41/1064579741.db2.gz MUMHVSSRPJSNNE-UHFFFAOYSA-N 0 0 454.596 4.666 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)c2cc(Br)ncc2Br)[C@H](C)CO1 ZINC001435190554 1064580163 /nfs/dbraw/zinc/58/01/63/1064580163.db2.gz GZOWTANFIKBWBP-MLGOLLRUSA-N 0 0 454.162 4.517 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001359885622 1064580715 /nfs/dbraw/zinc/58/07/15/1064580715.db2.gz DBEXUTSJXSHPMY-UZUQRXQVSA-N 0 0 462.063 4.575 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)C1 ZINC001359885532 1064580877 /nfs/dbraw/zinc/58/08/77/1064580877.db2.gz BZSNILGXKXJEQT-UYAOXDASSA-N 0 0 465.063 4.902 20 0 JJADRN CCCOc1ccc(C(=O)N(C)c2nc(CC(=O)OC)cs2)c(OCc2ccccc2)c1 ZINC001435192240 1064580978 /nfs/dbraw/zinc/58/09/78/1064580978.db2.gz AYJJBZWGCUZDRV-UHFFFAOYSA-N 0 0 454.548 4.503 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC(C)C)c1 ZINC001435192112 1064581083 /nfs/dbraw/zinc/58/10/83/1064581083.db2.gz BRWGIKXDQFZSIV-QHCPKHFHSA-N 0 0 458.624 4.569 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001359886106 1064581271 /nfs/dbraw/zinc/58/12/71/1064581271.db2.gz ITFXSRBFHHTQTL-LUGTWXOSSA-N 0 0 499.675 4.552 20 0 JJADRN COc1ccc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c(Cl)c1 ZINC001435192331 1064581535 /nfs/dbraw/zinc/58/15/35/1064581535.db2.gz QBBXJCNDAJNCMC-QHCPKHFHSA-N 0 0 457.979 4.888 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)c2cc(C(=O)OC)nn2-c2ccccc2)cc1 ZINC001435192502 1064581553 /nfs/dbraw/zinc/58/15/53/1064581553.db2.gz RHWGGHDPPAESQP-UHFFFAOYSA-N 0 0 454.530 4.747 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001359886475 1064581985 /nfs/dbraw/zinc/58/19/85/1064581985.db2.gz MEWUQFFRNHYMOS-VQTJNVASSA-N 0 0 457.585 4.666 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001435193451 1064581937 /nfs/dbraw/zinc/58/19/37/1064581937.db2.gz GCQHZSQWYCTMBU-UHFFFAOYSA-N 0 0 459.358 4.950 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435193145 1064581974 /nfs/dbraw/zinc/58/19/74/1064581974.db2.gz SMFWVEAGTJTHFP-UQBPGWFLSA-N 0 0 453.579 4.930 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435193137 1064582046 /nfs/dbraw/zinc/58/20/46/1064582046.db2.gz SMFWVEAGTJTHFP-KBMIEXCESA-N 0 0 453.579 4.930 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435193128 1064582126 /nfs/dbraw/zinc/58/21/26/1064582126.db2.gz SMFWVEAGTJTHFP-DFBJGRDBSA-N 0 0 453.579 4.930 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1Cl ZINC001435193598 1064582434 /nfs/dbraw/zinc/58/24/34/1064582434.db2.gz WGKABIKTNWSTSG-YOEHRIQHSA-N 0 0 456.391 4.698 20 0 JJADRN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1c(F)cc(Br)cc1F ZINC001359886615 1064582561 /nfs/dbraw/zinc/58/25/61/1064582561.db2.gz GEFLRZBMVIJAOT-UHFFFAOYSA-N 0 0 450.239 4.819 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001359887406 1064583298 /nfs/dbraw/zinc/58/32/98/1064583298.db2.gz UTJOFLFSGFYJGT-WOJBJXKFSA-N 0 0 478.106 4.817 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cccc2c(Br)cccc12)c1noc(C)n1 ZINC001435195792 1064583629 /nfs/dbraw/zinc/58/36/29/1064583629.db2.gz RCCUAPCFFIQVGH-HXUWFJFHSA-N 0 0 452.308 4.822 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCc3nc(-c4cccc(Cl)c4)no3)cc2)no1 ZINC001435195256 1064583724 /nfs/dbraw/zinc/58/37/24/1064583724.db2.gz PCQISJXEEAXNHX-UHFFFAOYSA-N 0 0 451.914 4.959 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359887457 1064584070 /nfs/dbraw/zinc/58/40/70/1064584070.db2.gz VXLHFIPRGDJETK-RBUKOAKNSA-N 0 0 483.554 4.753 20 0 JJADRN O=C(Nc1ccccc1CC(F)(F)F)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001435196219 1064584090 /nfs/dbraw/zinc/58/40/90/1064584090.db2.gz AMYSGBYDDNXMSL-HNNXBMFYSA-N 0 0 456.411 4.884 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C1 ZINC001359887453 1064584098 /nfs/dbraw/zinc/58/40/98/1064584098.db2.gz VVRKAUSZURKQCS-KDYSTLNUSA-N 0 0 470.658 4.833 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001359887892 1064584542 /nfs/dbraw/zinc/58/45/42/1064584542.db2.gz ZORARTXIMPEGSG-QHCPKHFHSA-N 0 0 472.699 4.683 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccccc2F)C1 ZINC001359887742 1064584665 /nfs/dbraw/zinc/58/46/65/1064584665.db2.gz YABUEZWRWJNCFG-RTBURBONSA-N 0 0 485.629 4.749 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)N[C@@H](Cc3cc(C)cc(C)c3)c3cccc(OC)c3)C2)c1 ZINC001435196397 1064584867 /nfs/dbraw/zinc/58/48/67/1064584867.db2.gz XGPDZBQDRHRWRB-AHKZPQOWSA-N 0 0 458.558 4.914 20 0 JJADRN COc1ccccc1[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1noc(C)n1 ZINC001435197189 1064585187 /nfs/dbraw/zinc/58/51/87/1064585187.db2.gz DPTPBSKUFGWCDM-KRWDZBQOSA-N 0 0 456.713 4.631 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cc(Br)c(OC)c(OC)c3)cn2)cc1 ZINC001435197258 1064585224 /nfs/dbraw/zinc/58/52/24/1064585224.db2.gz FIMGZKLVWPTMGS-UHFFFAOYSA-N 0 0 459.296 4.915 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359888566 1064585426 /nfs/dbraw/zinc/58/54/26/1064585426.db2.gz FQAOQAWEKKLJRO-UTKZUKDTSA-N 0 0 456.557 4.646 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001359888468 1064585538 /nfs/dbraw/zinc/58/55/38/1064585538.db2.gz CZVIWLJERWJURP-OFNKIYASSA-N 0 0 479.463 4.929 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)cn2)cc1 ZINC001435197537 1064585668 /nfs/dbraw/zinc/58/56/68/1064585668.db2.gz GKWCAYGLYNHAJO-UHFFFAOYSA-N 0 0 455.898 4.741 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cc(Cl)ncc1Br ZINC001435197439 1064585901 /nfs/dbraw/zinc/58/59/01/1064585901.db2.gz XPQFJBNLNDZUSB-UHFFFAOYSA-N 0 0 453.724 4.550 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359888574 1064585958 /nfs/dbraw/zinc/58/59/58/1064585958.db2.gz FUARAPDESGLTMT-HHHXNRCGSA-N 0 0 497.640 4.936 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001359888602 1064585985 /nfs/dbraw/zinc/58/59/85/1064585985.db2.gz GMNDBXISCBKCHJ-MUAVYFROSA-N 0 0 497.728 4.588 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001359888595 1064586141 /nfs/dbraw/zinc/58/61/41/1064586141.db2.gz GIWQVYRNYPDHJV-VGSWGCGISA-N 0 0 454.587 4.675 20 0 JJADRN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001435198026 1064586249 /nfs/dbraw/zinc/58/62/49/1064586249.db2.gz HWBLEVFRSFFBLV-UHFFFAOYSA-N 0 0 457.939 4.564 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)C1 ZINC001435197984 1064586377 /nfs/dbraw/zinc/58/63/77/1064586377.db2.gz HLYZPUZYKXWYGM-SFHVURJKSA-N 0 0 451.548 4.547 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001359889047 1064587021 /nfs/dbraw/zinc/58/70/21/1064587021.db2.gz KUFMCTQFSHEYNB-VWLOTQADSA-N 0 0 487.023 4.646 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc2cc(C)cc(Br)c2o1)c1noc(C)n1 ZINC001435199560 1064587354 /nfs/dbraw/zinc/58/73/54/1064587354.db2.gz OUVJTDLLUKUBDD-SFHVURJKSA-N 0 0 456.296 4.723 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(C)C)CC1 ZINC001359889341 1064587258 /nfs/dbraw/zinc/58/72/58/1064587258.db2.gz AQKWVJAEWGWVSU-SANMLTNESA-N 0 0 456.631 4.776 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCOCC1 ZINC001359889156 1064587387 /nfs/dbraw/zinc/58/73/87/1064587387.db2.gz MBUNVVRJUJKAMQ-OAQYLSRUSA-N 0 0 485.492 4.819 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001359889632 1064587873 /nfs/dbraw/zinc/58/78/73/1064587873.db2.gz NDNWXOKFGFMVFN-IECBHUPTSA-N 0 0 450.579 4.671 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1cc(-c2ccc(F)cc2)on1 ZINC001359889803 1064588076 /nfs/dbraw/zinc/58/80/76/1064588076.db2.gz NLVQUOVSKQEDJS-UHFFFAOYSA-N 0 0 459.315 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 ZINC001435200725 1064588066 /nfs/dbraw/zinc/58/80/66/1064588066.db2.gz VSNIZVXAXJQWFK-ZWKOTPCHSA-N 0 0 452.536 4.849 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](C)C1 ZINC001359889989 1064588521 /nfs/dbraw/zinc/58/85/21/1064588521.db2.gz QQKXJSNFFYNAIC-HTAPYJJXSA-N 0 0 466.468 4.860 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(NC(=O)C3CC3)s2)n1C ZINC001435201631 1064588517 /nfs/dbraw/zinc/58/85/17/1064588517.db2.gz YZVLENGYEQOHCN-UHFFFAOYSA-N 0 0 459.369 4.820 20 0 JJADRN COc1cc(CCC(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc(OC)c1 ZINC001435201621 1064588689 /nfs/dbraw/zinc/58/86/89/1064588689.db2.gz YXLGYYONYUPSAO-UHFFFAOYSA-N 0 0 458.356 4.747 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435202494 1064588987 /nfs/dbraw/zinc/58/89/87/1064588987.db2.gz GRMUTUNWJZOSDX-OXQOHEQNSA-N 0 0 451.007 4.947 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359890138 1064589131 /nfs/dbraw/zinc/58/91/31/1064589131.db2.gz HSABFQNAWCXLJM-NIYFSFCBSA-N 0 0 456.631 4.776 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001435202858 1064589456 /nfs/dbraw/zinc/58/94/56/1064589456.db2.gz KIKZMHDGZPNFEH-UHFFFAOYSA-N 0 0 459.930 4.743 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)c3cnn(C(C)C)c3n2)s1 ZINC001435203082 1064589715 /nfs/dbraw/zinc/58/97/15/1064589715.db2.gz YUSUMNNGDLZIJB-UHFFFAOYSA-N 0 0 451.527 4.848 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359890754 1064590080 /nfs/dbraw/zinc/59/00/80/1064590080.db2.gz LWLCOHGRNKAREV-CLOONOSVSA-N 0 0 471.049 4.903 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001359890806 1064590143 /nfs/dbraw/zinc/59/01/43/1064590143.db2.gz MJMILCHHOPSPKZ-OAQYLSRUSA-N 0 0 453.400 4.880 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)(F)F ZINC001359890889 1064590604 /nfs/dbraw/zinc/59/06/04/1064590604.db2.gz VVVLRFIVCUKYSZ-KRWDZBQOSA-N 0 0 466.346 4.612 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001435204763 1064590639 /nfs/dbraw/zinc/59/06/39/1064590639.db2.gz ANKURETUJPKRSC-JQNAMAILSA-N 0 0 462.999 4.667 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001359890936 1064590817 /nfs/dbraw/zinc/59/08/17/1064590817.db2.gz WOVNABJCQSLLIB-NDEPHWFRSA-N 0 0 491.684 4.546 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001435205528 1064591232 /nfs/dbraw/zinc/59/12/32/1064591232.db2.gz FZFUZGXVSQKBBS-NMEJYPJZSA-N 0 0 456.486 4.647 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)C1 ZINC001359891107 1064591280 /nfs/dbraw/zinc/59/12/80/1064591280.db2.gz YBZOMBXQDUGPIN-BTYIYWSLSA-N 0 0 485.467 4.976 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1C ZINC001435207065 1064591814 /nfs/dbraw/zinc/59/18/14/1064591814.db2.gz QZZYKHMNCVYXDE-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001359891467 1064592268 /nfs/dbraw/zinc/59/22/68/1064592268.db2.gz RSGWIQGBVYTERV-QPPBQGQZSA-N 0 0 457.022 4.861 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2sc(N(C)C)nc2Cl)c1C ZINC001435207478 1064592603 /nfs/dbraw/zinc/59/26/03/1064592603.db2.gz UCBIMTAQZXYKLF-UHFFFAOYSA-N 0 0 454.781 4.680 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)[C@@H](OCC)C3CCOCC3)cc21 ZINC001435208848 1064592949 /nfs/dbraw/zinc/59/29/49/1064592949.db2.gz SIOGENSTMFLDTG-DEOSSOPVSA-N 0 0 457.567 4.979 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)Cc3ccc(C)s3)CC2)c2ccccc12 ZINC001435208225 1064593206 /nfs/dbraw/zinc/59/32/06/1064593206.db2.gz PMKCPHGUQDWTDP-QGZVFWFLSA-N 0 0 450.604 4.818 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359891699 1064593218 /nfs/dbraw/zinc/59/32/18/1064593218.db2.gz WGAIUHFTFQEKBA-IDISGSTGSA-N 0 0 469.674 4.509 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1C ZINC001435210071 1064593605 /nfs/dbraw/zinc/59/36/05/1064593605.db2.gz DEPAIVIBBVLYNM-UHFFFAOYSA-N 0 0 457.456 4.991 20 0 JJADRN CN(C(=O)Cc1ccc(Br)cc1Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001359892061 1064593650 /nfs/dbraw/zinc/59/36/50/1064593650.db2.gz COAKIXJPEOXXAA-KRWDZBQOSA-N 0 0 456.167 4.562 20 0 JJADRN Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)ccc1OC1CCOCC1 ZINC001435212601 1064594069 /nfs/dbraw/zinc/59/40/69/1064594069.db2.gz JVAAVCFPJYBLFK-QHCPKHFHSA-N 0 0 454.567 4.832 20 0 JJADRN CCOc1cc(CCCNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)ccc1OC ZINC001435212727 1064594280 /nfs/dbraw/zinc/59/42/80/1064594280.db2.gz HRMSPLLGGWABRD-UHFFFAOYSA-N 0 0 456.974 4.814 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)[C@H]1c1ccc(OC)cc1 ZINC001435213213 1064594547 /nfs/dbraw/zinc/59/45/47/1064594547.db2.gz YJQBBNYNGWRJGE-PXDATVDWSA-N 0 0 451.567 4.599 20 0 JJADRN CCCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435213539 1064595085 /nfs/dbraw/zinc/59/50/85/1064595085.db2.gz PURHEMMIUROUNT-OAQYLSRUSA-N 0 0 450.539 4.549 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359894171 1064595305 /nfs/dbraw/zinc/59/53/05/1064595305.db2.gz LIQQDXDIYJVEKW-YKSBVNFPSA-N 0 0 464.557 4.522 20 0 JJADRN CCCN(C(=O)c1nn2c(c1Br)CCC2)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214272 1064595463 /nfs/dbraw/zinc/59/54/63/1064595463.db2.gz VJLXRHWRIMFGMX-OAQYLSRUSA-N 0 0 457.347 4.768 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCc1cccs1 ZINC001359894338 1064595601 /nfs/dbraw/zinc/59/56/01/1064595601.db2.gz MOLRPLLONVBHLT-RUZDIDTESA-N 0 0 480.638 4.522 20 0 JJADRN CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359894498 1064595722 /nfs/dbraw/zinc/59/57/22/1064595722.db2.gz YTSOHXHSEGIGQI-FDPACGJWSA-N 0 0 455.451 4.962 20 0 JJADRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359894499 1064595750 /nfs/dbraw/zinc/59/57/50/1064595750.db2.gz YTSOHXHSEGIGQI-MVPZIENHSA-N 0 0 455.451 4.962 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359894773 1064596070 /nfs/dbraw/zinc/59/60/70/1064596070.db2.gz RBDBVBSHHYHSFD-YTZAWJCFSA-N 0 0 450.574 4.835 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(CSC3CCCC3)c2)cc1 ZINC001435215112 1064596087 /nfs/dbraw/zinc/59/60/87/1064596087.db2.gz IPWXGVCEGBOOBD-QHCPKHFHSA-N 0 0 458.649 4.963 20 0 JJADRN CCCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214769 1064596142 /nfs/dbraw/zinc/59/61/42/1064596142.db2.gz CPEQUCPEYFSMBN-QFIPXVFZSA-N 0 0 450.514 4.608 20 0 JJADRN Cc1ccc(CN2CCOCC2)cc1NC(=O)Cc1csc2ccc(Br)cc12 ZINC001435216035 1064596706 /nfs/dbraw/zinc/59/67/06/1064596706.db2.gz OSVZYLAVFLHMNX-UHFFFAOYSA-N 0 0 459.409 4.986 20 0 JJADRN CCCN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435217124 1064597105 /nfs/dbraw/zinc/59/71/05/1064597105.db2.gz OJNIYZYYMVTRGM-VWLOTQADSA-N 0 0 451.517 4.898 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCc3cc(C)ccc3O2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217210 1064597123 /nfs/dbraw/zinc/59/71/23/1064597123.db2.gz PDBXSNHTZDEWLW-JBRSBNLGSA-N 0 0 450.579 4.727 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001359895669 1064597136 /nfs/dbraw/zinc/59/71/36/1064597136.db2.gz GPGJZDMMTOLGLT-SXOMAYOGSA-N 0 0 454.659 4.732 20 0 JJADRN C[C@@H](C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)c1ccc(Br)cc1 ZINC001435216880 1064597257 /nfs/dbraw/zinc/59/72/57/1064597257.db2.gz MLWXTEREHFENEU-MRXNPFEDSA-N 0 0 452.352 4.541 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001435216713 1064597347 /nfs/dbraw/zinc/59/73/47/1064597347.db2.gz NHIASEYQEKOJJN-DHIUTWEWSA-N 0 0 454.615 4.662 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001359895495 1064597465 /nfs/dbraw/zinc/59/74/65/1064597465.db2.gz DJDSLTWYVOWNFY-SANMLTNESA-N 0 0 455.647 4.519 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@@H]1C ZINC001359895683 1064597687 /nfs/dbraw/zinc/59/76/87/1064597687.db2.gz GXAFYLUAWXJDEY-DFBJGRDBSA-N 0 0 495.734 4.522 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@H]1C ZINC001359895684 1064597811 /nfs/dbraw/zinc/59/78/11/1064597811.db2.gz GXAFYLUAWXJDEY-KBMIEXCESA-N 0 0 495.734 4.522 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001359895816 1064597848 /nfs/dbraw/zinc/59/78/48/1064597848.db2.gz INMJSUHABJLFCO-SBQVMTCPSA-N 0 0 489.705 4.959 20 0 JJADRN Cc1ccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1S(=O)(=O)NC1CC1 ZINC001435219357 1064598666 /nfs/dbraw/zinc/59/86/66/1064598666.db2.gz DYFDFUKUTZIGQU-BOPFTXTBSA-N 0 0 458.889 4.674 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001359896499 1064598721 /nfs/dbraw/zinc/59/87/21/1064598721.db2.gz PXXUKIXKWWRNRC-ZYVVXELTSA-N 0 0 483.705 4.654 20 0 JJADRN C[C@@H]1Cc2ccccc2N(C(=O)c2cc(Br)cc(I)c2)C1 ZINC001359896566 1064598943 /nfs/dbraw/zinc/59/89/43/1064598943.db2.gz HTUJRLVTDIGHEI-LLVKDONJSA-N 0 0 456.121 4.893 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359896597 1064599004 /nfs/dbraw/zinc/59/90/04/1064599004.db2.gz QUMAABKPVMIKCQ-UQBPGWFLSA-N 0 0 465.683 4.547 20 0 JJADRN CC[C@H]1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001435219542 1064599197 /nfs/dbraw/zinc/59/91/97/1064599197.db2.gz IFVXNLFBAQJQDQ-RXVVDRJESA-N 0 0 456.608 4.535 20 0 JJADRN Cc1ccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1S(=O)(=O)NC1CC1 ZINC001435219359 1064599425 /nfs/dbraw/zinc/59/94/25/1064599425.db2.gz DYFDFUKUTZIGQU-GZTJUZNOSA-N 0 0 458.889 4.674 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(C)C)CC1 ZINC001359897059 1064599406 /nfs/dbraw/zinc/59/94/06/1064599406.db2.gz VFRKFBNVCDGBCM-BVAGGSTKSA-N 0 0 456.631 4.850 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)Cc1cccc(Br)c1 ZINC001435220828 1064600708 /nfs/dbraw/zinc/60/07/08/1064600708.db2.gz HJOUEMDAVABRKK-BBRMVZONSA-N 0 0 458.322 4.927 20 0 JJADRN 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CC(C)CCCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1C(C)(C)C ZINC001359911582 1064628385 /nfs/dbraw/zinc/62/83/85/1064628385.db2.gz BNBPZDCSDAHHIF-UHFFFAOYSA-N 0 0 450.002 4.767 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC001435252783 1064629313 /nfs/dbraw/zinc/62/93/13/1064629313.db2.gz MVYJKKWYFXOZAA-UHFFFAOYSA-N 0 0 453.174 4.611 20 0 JJADRN CC(C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001359912087 1064629958 /nfs/dbraw/zinc/62/99/58/1064629958.db2.gz LMBFXKGNEVSKQM-RTWAWAEBSA-N 0 0 456.587 4.705 20 0 JJADRN CC(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001359912052 1064630101 /nfs/dbraw/zinc/63/01/01/1064630101.db2.gz KNSJWAKEIVTNDF-PZJWPPBQSA-N 0 0 467.639 4.672 20 0 JJADRN CC(C)CCCn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359912276 1064630538 /nfs/dbraw/zinc/63/05/38/1064630538.db2.gz RRPYFPXXOZCYOV-AREMUKBSSA-N 0 0 454.615 4.754 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001359912278 1064630582 /nfs/dbraw/zinc/63/05/82/1064630582.db2.gz RSXDZNLWQUHCHE-WOJBJXKFSA-N 0 0 476.735 4.636 20 0 JJADRN CC(C)CCCn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359912398 1064630677 /nfs/dbraw/zinc/63/06/77/1064630677.db2.gz WLVFXXFJQQPLPG-RDGATRHJSA-N 0 0 478.584 4.611 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)C3=Cc4ccccc4O[C@H]3C(F)F)cc2)n1 ZINC001435254504 1064631670 /nfs/dbraw/zinc/63/16/70/1064631670.db2.gz SUGPYWRWBKKDQO-HXUWFJFHSA-N 0 0 456.445 4.961 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 ZINC001435255785 1064632678 /nfs/dbraw/zinc/63/26/78/1064632678.db2.gz RYKFAKOAZFCHJL-UHFFFAOYSA-N 0 0 458.949 4.525 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)cc2)C1 ZINC001359914526 1064633901 /nfs/dbraw/zinc/63/39/01/1064633901.db2.gz WIEAEQJTVCYMDC-PBXXJUDPSA-N 0 0 454.636 4.639 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(N2CCCC2=O)c1 ZINC001359914488 1064634061 /nfs/dbraw/zinc/63/40/61/1064634061.db2.gz JFMKYQYXZCZDSE-UHFFFAOYSA-N 0 0 499.457 4.704 20 0 JJADRN CN(C(=O)C(C)(C)Oc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001435257531 1064634321 /nfs/dbraw/zinc/63/43/21/1064634321.db2.gz CSOIEZIPPDKKJB-GOSISDBHSA-N 0 0 454.876 4.780 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359914710 1064634802 /nfs/dbraw/zinc/63/48/02/1064634802.db2.gz NBFFKUUIWKDNRB-GOSISDBHSA-N 0 0 458.561 4.619 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001435258223 1064634941 /nfs/dbraw/zinc/63/49/41/1064634941.db2.gz WLWAVCHOSYFXNW-UHFFFAOYSA-N 0 0 451.342 4.597 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC001435258402 1064635100 /nfs/dbraw/zinc/63/51/00/1064635100.db2.gz YLNNAGDFTJKTJY-UHFFFAOYSA-N 0 0 454.704 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ccc(N3CCSCC3)cc2)C1 ZINC001435258440 1064635109 /nfs/dbraw/zinc/63/51/09/1064635109.db2.gz VPCDYNXARLAKHO-ZJSXRUAMSA-N 0 0 481.662 4.904 20 0 JJADRN CN(C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001435259691 1064635964 /nfs/dbraw/zinc/63/59/64/1064635964.db2.gz GFJJFRCJLYEQHR-ZEQRLZLVSA-N 0 0 450.485 4.739 20 0 JJADRN COc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)cc1Br ZINC001359915911 1064637410 /nfs/dbraw/zinc/63/74/10/1064637410.db2.gz CHAUHOKYDJNPTA-UHFFFAOYSA-N 0 0 458.356 4.608 20 0 JJADRN COc1ccc(CNC(=O)c2cc3c(Br)cccc3cn2)cc1Br ZINC001359916175 1064637429 /nfs/dbraw/zinc/63/74/29/1064637429.db2.gz MHFLDIZQDVZVIT-UHFFFAOYSA-N 0 0 450.130 4.698 20 0 JJADRN COc1ccc(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)cc1Br ZINC001359915827 1064637627 /nfs/dbraw/zinc/63/76/27/1064637627.db2.gz APCBOZUFWYUXBR-OAHLLOKOSA-N 0 0 455.352 4.932 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001435261789 1064637590 /nfs/dbraw/zinc/63/75/90/1064637590.db2.gz SGGNKWJTQCKEPL-UHFFFAOYSA-N 0 0 453.424 4.746 20 0 JJADRN CN(C(=O)c1cc2sc(Br)cc2s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001435262276 1064638243 /nfs/dbraw/zinc/63/82/43/1064638243.db2.gz VSNJEPAULKAVID-GFCCVEGCSA-N 0 0 453.358 4.742 20 0 JJADRN COC(=O)CN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)c1cccc(C)n1 ZINC001435261940 1064638294 /nfs/dbraw/zinc/63/82/94/1064638294.db2.gz WRFIBGZSPBUCHG-UHFFFAOYSA-N 0 0 457.534 4.511 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)no1 ZINC001435263058 1064639431 /nfs/dbraw/zinc/63/94/31/1064639431.db2.gz GZWYRHKNYLZZKU-WMLDXEAASA-N 0 0 457.577 4.788 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCOC(C)(C)C ZINC001359917707 1064639472 /nfs/dbraw/zinc/63/94/72/1064639472.db2.gz LJYKMOWYKFQGJA-UHFFFAOYSA-N 0 0 454.619 4.533 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3cc4ccccc4o3)CC2)c(Cl)c1 ZINC001435263609 1064639842 /nfs/dbraw/zinc/63/98/42/1064639842.db2.gz BXRWGNBIXFEYJO-ROUUACIJSA-N 0 0 454.954 4.636 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)c1ccccc1 ZINC001359917900 1064639937 /nfs/dbraw/zinc/63/99/37/1064639937.db2.gz RPGOUUVMPSDFKQ-UHFFFAOYSA-N 0 0 476.597 4.513 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359917897 1064640088 /nfs/dbraw/zinc/64/00/88/1064640088.db2.gz RLJWRQKCXAEZLV-UHFFFAOYSA-N 0 0 481.645 4.916 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[C@@H]1CCCCO1 ZINC001359917939 1064640113 /nfs/dbraw/zinc/64/01/13/1064640113.db2.gz TUJAVFOUOADGSD-FQEVSTJZSA-N 0 0 466.630 4.677 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccc(C)cc2C(=O)NC)cc1Br ZINC001435263998 1064640989 /nfs/dbraw/zinc/64/09/89/1064640989.db2.gz BZOTWIYEXODOAZ-UHFFFAOYSA-N 0 0 454.162 4.694 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc(OCc2cscn2)c1 ZINC001435264354 1064641491 /nfs/dbraw/zinc/64/14/91/1064641491.db2.gz IMGAKMZIUBPUAM-UHFFFAOYSA-N 0 0 457.861 4.598 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001435265071 1064641505 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ZINC001435295047 1064671385 /nfs/dbraw/zinc/67/13/85/1064671385.db2.gz HEIBXTFBSQGRGN-GTNSWQLSSA-N 0 0 457.155 4.617 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001435294887 1064671392 /nfs/dbraw/zinc/67/13/92/1064671392.db2.gz FWKHYUIVTGBXDH-HNNXBMFYSA-N 0 0 457.155 4.703 20 0 JJADRN C[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)Oc1ccc(Cl)cc1 ZINC001435295411 1064671414 /nfs/dbraw/zinc/67/14/14/1064671414.db2.gz XZUPDKCXUMCUCR-CEXWTWQISA-N 0 0 458.986 4.706 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359932828 1064671499 /nfs/dbraw/zinc/67/14/99/1064671499.db2.gz GQVSXERZDUUBFE-SFHVURJKSA-N 0 0 478.357 4.612 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001359932839 1064671511 /nfs/dbraw/zinc/67/15/11/1064671511.db2.gz GYQQPRXNEWHZMW-KGLIPLIRSA-N 0 0 491.883 4.665 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001359932886 1064672128 /nfs/dbraw/zinc/67/21/28/1064672128.db2.gz IDRZXJQGWKEZBT-UHFFFAOYSA-N 0 0 461.383 4.548 20 0 JJADRN CC(C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359933205 1064673036 /nfs/dbraw/zinc/67/30/36/1064673036.db2.gz PESLDTYMAGYJKF-UHFFFAOYSA-N 0 0 479.316 4.786 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001359933385 1064673679 /nfs/dbraw/zinc/67/36/79/1064673679.db2.gz QZVGGYCHIPKGNG-ICSRJNTNSA-N 0 0 474.049 4.860 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001359933360 1064673733 /nfs/dbraw/zinc/67/37/33/1064673733.db2.gz QOJXJMNZCSMHKS-LYXWCMDISA-N 0 0 463.022 4.890 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435298491 1064674376 /nfs/dbraw/zinc/67/43/76/1064674376.db2.gz XDZYAJAMIPCCCC-QPPBQGQZSA-N 0 0 456.428 4.887 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435298494 1064674442 /nfs/dbraw/zinc/67/44/42/1064674442.db2.gz XDZYAJAMIPCCCC-XUZZJYLKSA-N 0 0 456.428 4.887 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001359933559 1064674591 /nfs/dbraw/zinc/67/45/91/1064674591.db2.gz TWFUTJBENPMJJP-UHFFFAOYSA-N 0 0 497.484 4.855 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 ZINC001435300404 1064675300 /nfs/dbraw/zinc/67/53/00/1064675300.db2.gz DVOBYXWVAJVZDG-NRFANRHFSA-N 0 0 453.652 4.683 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001359933628 1064675464 /nfs/dbraw/zinc/67/54/64/1064675464.db2.gz VHUFYMURPIZYPY-AQNXPRMDSA-N 0 0 487.620 4.906 20 0 JJADRN Cc1nc2cc(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)ccc2n1C ZINC001435300890 1064675952 /nfs/dbraw/zinc/67/59/52/1064675952.db2.gz AOKWAOWBJNFQMJ-UHFFFAOYSA-N 0 0 453.296 4.742 20 0 JJADRN CC(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001359933836 1064676196 /nfs/dbraw/zinc/67/61/96/1064676196.db2.gz YQFCLYZUIOUMBG-KRWDZBQOSA-N 0 0 462.417 4.788 20 0 JJADRN CC(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001359933809 1064676281 /nfs/dbraw/zinc/67/62/81/1064676281.db2.gz YFIOYPFBJWNCCG-GOSISDBHSA-N 0 0 457.688 4.872 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001435302167 1064677070 /nfs/dbraw/zinc/67/70/70/1064677070.db2.gz FHIINNZOCMOVSE-OXJNMPFZSA-N 0 0 456.999 4.699 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 ZINC001435302782 1064677846 /nfs/dbraw/zinc/67/78/46/1064677846.db2.gz SDZACIKGOALWGU-GHTZIAJQSA-N 0 0 463.500 4.504 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC001359934472 1064677864 /nfs/dbraw/zinc/67/78/64/1064677864.db2.gz JBBMQULOEYZENH-UHFFFAOYSA-N 0 0 453.498 4.668 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359934178 1064677901 /nfs/dbraw/zinc/67/79/01/1064677901.db2.gz YPRXXUFYYKUUKH-INIZCTEOSA-N 0 0 451.974 4.887 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1C ZINC001435303679 1064678472 /nfs/dbraw/zinc/67/84/72/1064678472.db2.gz DUFNGDBOSUUXDK-HSZRJFAPSA-N 0 0 458.599 4.985 20 0 JJADRN Cn1c(SCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)nnc1-c1cccs1 ZINC001435303863 1064678547 /nfs/dbraw/zinc/67/85/47/1064678547.db2.gz WSQXRBKFCDJHAB-UHFFFAOYSA-N 0 0 452.527 4.850 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935062 1064678677 /nfs/dbraw/zinc/67/86/77/1064678677.db2.gz CFUNBMFJXKOMHH-NRFANRHFSA-N 0 0 458.400 4.895 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC001435304846 1064679438 /nfs/dbraw/zinc/67/94/38/1064679438.db2.gz ZNAQVHUSZIDLLL-OAQYLSRUSA-N 0 0 459.974 4.788 20 0 JJADRN CCCN(C(=O)c1ccc(NC(=O)OCC)cc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359936225 1064680082 /nfs/dbraw/zinc/68/00/82/1064680082.db2.gz SEVSZNNIIYDIBD-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN CC(C)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001359937437 1064680972 /nfs/dbraw/zinc/68/09/72/1064680972.db2.gz ZDTHDTBMKAAVOR-HXUWFJFHSA-N 0 0 456.388 4.727 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938076 1064681497 /nfs/dbraw/zinc/68/14/97/1064681497.db2.gz IUDQDRPORXTNMS-GNYVGCIUSA-N 0 0 455.549 4.838 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938425 1064682639 /nfs/dbraw/zinc/68/26/39/1064682639.db2.gz MWMVPXRPQRGUSV-WAIKUNEKSA-N 0 0 450.608 4.988 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)n1 ZINC001435308798 1064682595 /nfs/dbraw/zinc/68/25/95/1064682595.db2.gz OZXVHNSIJGHTPZ-NRFANRHFSA-N 0 0 456.999 4.613 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC001359938515 1064682690 /nfs/dbraw/zinc/68/26/90/1064682690.db2.gz LVFPYEPMFQUYBX-UHFFFAOYSA-N 0 0 459.527 4.951 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001359939355 1064683222 /nfs/dbraw/zinc/68/32/22/1064683222.db2.gz WGPPARFGTMKPSA-UHFFFAOYSA-N 0 0 451.564 4.675 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 ZINC001435309668 1064684155 /nfs/dbraw/zinc/68/41/55/1064684155.db2.gz MUBTYOMORPQYCV-MRXNPFEDSA-N 0 0 456.892 4.565 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 ZINC001435309632 1064684270 /nfs/dbraw/zinc/68/42/70/1064684270.db2.gz MADNLTIEABCENO-SFHVURJKSA-N 0 0 458.986 4.580 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001359940405 1064685005 /nfs/dbraw/zinc/68/50/05/1064685005.db2.gz LDTQKYXWSDLCSN-LEWJYISDSA-N 0 0 461.651 4.587 20 0 JJADRN Cc1cccc(C2(CNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)CCCC2)c1 ZINC001359940410 1064685144 /nfs/dbraw/zinc/68/51/44/1064685144.db2.gz DSYLOZNZYDLSKY-OAQYLSRUSA-N 0 0 454.636 4.657 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)N(C(=O)OCc2ccccc2)C1 ZINC001435313250 1064685741 /nfs/dbraw/zinc/68/57/41/1064685741.db2.gz PWIQUUILBFXCFF-IRLDBZIGSA-N 0 0 456.514 4.512 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cnn(-c2ccccc2Cl)c1 ZINC001435313485 1064685757 /nfs/dbraw/zinc/68/57/57/1064685757.db2.gz ULIKGPPURBJVKG-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN Cc1csc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1I ZINC001435314133 1064686840 /nfs/dbraw/zinc/68/68/40/1064686840.db2.gz XBROWGXWYANJOO-UHFFFAOYSA-N 0 0 457.333 4.798 20 0 JJADRN CC(C)CCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001359942744 1064687329 /nfs/dbraw/zinc/68/73/29/1064687329.db2.gz IBJCIIOINVRWOU-UHFFFAOYSA-N 0 0 455.622 4.529 20 0 JJADRN CC(C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359943092 1064687379 /nfs/dbraw/zinc/68/73/79/1064687379.db2.gz RTWHIZRNRATISH-LJQANCHMSA-N 0 0 454.644 4.642 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001435316631 1064689237 /nfs/dbraw/zinc/68/92/37/1064689237.db2.gz KNBCWPRFZHPLJG-GCJKJVERSA-N 0 0 451.567 4.710 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC001359944046 1064689980 /nfs/dbraw/zinc/68/99/80/1064689980.db2.gz NHXWHGFKVSHSSS-UHFFFAOYSA-N 0 0 463.420 4.815 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001359944191 1064690006 /nfs/dbraw/zinc/69/00/06/1064690006.db2.gz OYDYJGLLZNVWLB-UXHICEINSA-N 0 0 469.413 4.594 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC001435317241 1064690115 /nfs/dbraw/zinc/69/01/15/1064690115.db2.gz VWAUMBBDYLHOIK-UHFFFAOYSA-N 0 0 450.438 4.505 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001359944341 1064690800 /nfs/dbraw/zinc/69/08/00/1064690800.db2.gz PZROCGHXDKSIOU-HNNXBMFYSA-N 0 0 454.493 4.560 20 0 JJADRN CN(C(=O)CSCC(=O)Nc1nc2ccccc2n1-c1ccccc1F)C1CCCCC1 ZINC001435317861 1064690900 /nfs/dbraw/zinc/69/09/00/1064690900.db2.gz QMYUNJBYQDNMNM-UHFFFAOYSA-N 0 0 454.571 4.627 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)cc1OC ZINC001435317997 1064690957 /nfs/dbraw/zinc/69/09/57/1064690957.db2.gz CEDUMOZXQCUBLT-AWEZNQCLSA-N 0 0 457.933 4.532 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359944590 1064691600 /nfs/dbraw/zinc/69/16/00/1064691600.db2.gz WTMRGIKLQOWCPW-FXAWDEMLSA-N 0 0 478.037 4.906 20 0 JJADRN CC(C)CCn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001359944588 1064691643 /nfs/dbraw/zinc/69/16/43/1064691643.db2.gz WQOUGPYMZGRQOR-UHFFFAOYSA-N 0 0 451.640 4.570 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 ZINC001359945266 1064692459 /nfs/dbraw/zinc/69/24/59/1064692459.db2.gz JDRNNPUQFQGPBQ-UHFFFAOYSA-N 0 0 454.592 4.793 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001359944764 1064692513 /nfs/dbraw/zinc/69/25/13/1064692513.db2.gz TVXKIJMBDFQZMU-MRXNPFEDSA-N 0 0 459.450 4.905 20 0 JJADRN Cc1cccc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)c1F ZINC001359945158 1064692540 /nfs/dbraw/zinc/69/25/40/1064692540.db2.gz FFGLGSQXFRNHBH-IBGZPJMESA-N 0 0 456.514 4.943 20 0 JJADRN CCOc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319433 1064692696 /nfs/dbraw/zinc/69/26/96/1064692696.db2.gz CRUZAPAPINCCJC-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)CC2=O)cc1 ZINC001359945905 1064693490 /nfs/dbraw/zinc/69/34/90/1064693490.db2.gz TYPHYOHYDWROQT-XMMPIXPASA-N 0 0 459.590 4.870 20 0 JJADRN COc1nc(C)ccc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001359946662 1064694106 /nfs/dbraw/zinc/69/41/06/1064694106.db2.gz NOTNEFJMQPXBCI-HSZRJFAPSA-N 0 0 450.583 4.728 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@H]2CCOc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320242 1064694438 /nfs/dbraw/zinc/69/44/38/1064694438.db2.gz NVVQGXWAWVVALF-GMAHTHKFSA-N 0 0 455.963 4.515 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1C ZINC001435320485 1064695042 /nfs/dbraw/zinc/69/50/42/1064695042.db2.gz RPIGKKGWJDVBAF-NRFANRHFSA-N 0 0 459.468 4.932 20 0 JJADRN Cc1cccc(OCCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435320492 1064695102 /nfs/dbraw/zinc/69/51/02/1064695102.db2.gz RZVHSWUAKUGYFJ-DEOSSOPVSA-N 0 0 457.979 4.727 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cncc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320462 1064695159 /nfs/dbraw/zinc/69/51/59/1064695159.db2.gz QIPGJEUBMVISEH-QHCPKHFHSA-N 0 0 450.947 4.811 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccccc1C ZINC001435323014 1064695761 /nfs/dbraw/zinc/69/57/61/1064695761.db2.gz HRCDASHLMFWLFQ-VWLOTQADSA-N 0 0 458.558 4.658 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001435323036 1064695992 /nfs/dbraw/zinc/69/59/92/1064695992.db2.gz LIXVGQJGHPQZDH-UHFFFAOYSA-N 0 0 451.324 4.621 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001435323194 1064696501 /nfs/dbraw/zinc/69/65/01/1064696501.db2.gz LHPHMLBDEGWTPY-VWLOTQADSA-N 0 0 455.424 4.644 20 0 JJADRN COc1cc(CN2CCN(C(=O)c3csc(C4CCCCC4)c3)CC2)cc(OC)c1OC ZINC001435325232 1064697858 /nfs/dbraw/zinc/69/78/58/1064697858.db2.gz WNKWGXHJUWFXTO-UHFFFAOYSA-N 0 0 458.624 4.780 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(Br)cc(OC(C)C)c3)cc2n1 ZINC001435325792 1064697971 /nfs/dbraw/zinc/69/79/71/1064697971.db2.gz SUISMUVZCHUTCM-UHFFFAOYSA-N 0 0 457.250 4.859 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)Oc2ccccc21 ZINC001435326197 1064698854 /nfs/dbraw/zinc/69/88/54/1064698854.db2.gz UYSRKDJITKYAQC-RPWUZVMVSA-N 0 0 452.913 4.807 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)Oc2ccccc21 ZINC001435326199 1064698932 /nfs/dbraw/zinc/69/89/32/1064698932.db2.gz UYSRKDJITKYAQC-ZEQRLZLVSA-N 0 0 452.913 4.807 20 0 JJADRN CSc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435327860 1064699276 /nfs/dbraw/zinc/69/92/76/1064699276.db2.gz FNWWFTWFHOUEMZ-XMMPIXPASA-N 0 0 457.592 4.790 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435328403 1064699435 /nfs/dbraw/zinc/69/94/35/1064699435.db2.gz KOUPLPHJZPYQLP-OCDQVXHZSA-N 0 0 467.562 4.637 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)c1 ZINC001435328502 1064700169 /nfs/dbraw/zinc/70/01/69/1064700169.db2.gz LEHRJPTVVAKXPH-HXUWFJFHSA-N 0 0 451.441 4.767 20 0 JJADRN CCc1ccc([C@H](NC(=O)CCc2ccc(F)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330326 1064701640 /nfs/dbraw/zinc/70/16/40/1064701640.db2.gz MLTJCAFRAZGVKO-VWLOTQADSA-N 0 0 457.542 4.769 20 0 JJADRN C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330253 1064701755 /nfs/dbraw/zinc/70/17/55/1064701755.db2.gz UPGKCEHLHAWDMO-XDHUDOTRSA-N 0 0 457.542 4.843 20 0 JJADRN COC(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F ZINC001435330682 1064702353 /nfs/dbraw/zinc/70/23/53/1064702353.db2.gz ROVWYQDZYHARSN-QFIPXVFZSA-N 0 0 455.869 4.556 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H](CC)OC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330671 1064702366 /nfs/dbraw/zinc/70/23/66/1064702366.db2.gz RIBPHNZEKCYZEP-JWQCQUIFSA-N 0 0 457.636 4.986 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc(Cl)n1 ZINC001435330955 1064702671 /nfs/dbraw/zinc/70/26/71/1064702671.db2.gz UPBUKMZTSNEIOF-JOCHJYFZSA-N 0 0 456.995 4.955 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001359949905 1064702637 /nfs/dbraw/zinc/70/26/37/1064702637.db2.gz YQTSQEMUVUGIKP-FQEVSTJZSA-N 0 0 453.542 4.738 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001435331397 1064702808 /nfs/dbraw/zinc/70/28/08/1064702808.db2.gz XAKBCJOPNKVFRG-UHFFFAOYSA-N 0 0 452.551 4.683 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCOC(C)C)cc1 ZINC001359950012 1064703254 /nfs/dbraw/zinc/70/32/54/1064703254.db2.gz BXSUUORWHUQPOX-NQIIRXRSSA-N 0 0 484.563 4.951 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCn2cncn2)cc1 ZINC001359950015 1064703270 /nfs/dbraw/zinc/70/32/70/1064703270.db2.gz BZCBEWNXCNZFTO-FQEVSTJZSA-N 0 0 451.619 4.534 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC2(O)CCCC2)cc1 ZINC001359950091 1064703748 /nfs/dbraw/zinc/70/37/48/1064703748.db2.gz DRFQXNASVJPDIV-UHFFFAOYSA-N 0 0 486.657 4.510 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)ccc2NC1=O ZINC001435332244 1064704284 /nfs/dbraw/zinc/70/42/84/1064704284.db2.gz JAKHCLRZUITSAP-LHSJRXKWSA-N 0 0 451.548 4.631 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC2(O)CCCC2)cc1 ZINC001359950457 1064704973 /nfs/dbraw/zinc/70/49/73/1064704973.db2.gz IYHDADXINYGHFR-RXVVDRJESA-N 0 0 496.574 4.831 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(F)(F)c3ccccc3Br)ccc2NC1=O ZINC001435333655 1064705276 /nfs/dbraw/zinc/70/52/76/1064705276.db2.gz QIUNCRKWFBQNLP-BDJLRTHQSA-N 0 0 453.283 4.528 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435333153 1064705416 /nfs/dbraw/zinc/70/54/16/1064705416.db2.gz QISSZDRXQIZVEW-FCHUYYIVSA-N 0 0 453.620 4.988 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001435333163 1064705445 /nfs/dbraw/zinc/70/54/45/1064705445.db2.gz QISSZDRXQIZVEW-VXKWHMMOSA-N 0 0 453.620 4.988 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001359950511 1064705470 /nfs/dbraw/zinc/70/54/70/1064705470.db2.gz JXLOSBKAWPIHMY-FIXSFTCYSA-N 0 0 470.658 4.905 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)OCc2cc(Cl)ccc2OC2CCCC2)n1 ZINC001435333726 1064705834 /nfs/dbraw/zinc/70/58/34/1064705834.db2.gz KGGFJWRCXBPHOF-UHFFFAOYSA-N 0 0 454.752 4.637 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001435334136 1064705956 /nfs/dbraw/zinc/70/59/56/1064705956.db2.gz SRCOHOGZQLGSQZ-NVQXNPDNSA-N 0 0 453.583 4.512 20 0 JJADRN Cc1ccc(C)c(N(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C(C)C)c1 ZINC001359950724 1064705959 /nfs/dbraw/zinc/70/59/59/1064705959.db2.gz LGYXJXFPQKDQFN-KRWDZBQOSA-N 0 0 452.414 4.917 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC2(O)CCOCC2)cc1 ZINC001359950544 1064706043 /nfs/dbraw/zinc/70/60/43/1064706043.db2.gz KMCUAXOJOGLWBU-UHFFFAOYSA-N 0 0 470.658 4.784 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2)cc1 ZINC001359950556 1064706144 /nfs/dbraw/zinc/70/61/44/1064706144.db2.gz IRPMSRHTWKKKDQ-UHFFFAOYSA-N 0 0 454.958 4.523 20 0 JJADRN CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435334968 1064706515 /nfs/dbraw/zinc/70/65/15/1064706515.db2.gz VGEVOMLMXPCRIO-UHFFFAOYSA-N 0 0 457.596 4.908 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3c(Cl)cccc3Br)ccc2NC1=O ZINC001435335786 1064706876 /nfs/dbraw/zinc/70/68/76/1064706876.db2.gz YQDPVEKKJNNMGQ-APPDUMDISA-N 0 0 451.748 4.632 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001359950865 1064707116 /nfs/dbraw/zinc/70/71/16/1064707116.db2.gz PIVCQQLICFOANH-QHCPKHFHSA-N 0 0 483.701 4.963 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2occc2COc2ccccc2)cc1 ZINC001359950894 1064707210 /nfs/dbraw/zinc/70/72/10/1064707210.db2.gz OCCCPSXVMJRILZ-UHFFFAOYSA-N 0 0 450.535 4.856 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001435336283 1064707487 /nfs/dbraw/zinc/70/74/87/1064707487.db2.gz OKPSGWCJIFDNMN-UHFFFAOYSA-N 0 0 451.910 4.580 20 0 JJADRN CN(C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(Br)nc1 ZINC001435336932 1064708002 /nfs/dbraw/zinc/70/80/02/1064708002.db2.gz XYVONIAEJAVYFO-UHFFFAOYSA-N 0 0 453.271 4.977 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951160 1064708146 /nfs/dbraw/zinc/70/81/46/1064708146.db2.gz SUPBVRYUMQIDGG-JTHBVZDNSA-N 0 0 488.698 4.677 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1I ZINC001435337438 1064708208 /nfs/dbraw/zinc/70/82/08/1064708208.db2.gz OVMPFZDXPIMQIJ-NVXWUHKLSA-N 0 0 456.121 4.514 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)ccc1C(F)(F)F ZINC001435338665 1064708839 /nfs/dbraw/zinc/70/88/39/1064708839.db2.gz FMVSBRWLIRBBIY-GASCZTMLSA-N 0 0 454.514 4.933 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[C@H]2CCOC2)cc1 ZINC001359951357 1064709407 /nfs/dbraw/zinc/70/94/07/1064709407.db2.gz WKGREUCXSRHTOX-RTWAWAEBSA-N 0 0 456.631 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[C@@H]2CCOC2)cc1 ZINC001359951355 1064709428 /nfs/dbraw/zinc/70/94/28/1064709428.db2.gz WKGREUCXSRHTOX-LEWJYISDSA-N 0 0 456.631 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2Cc2ccc(F)cn2)cc1 ZINC001359951239 1064709444 /nfs/dbraw/zinc/70/94/44/1064709444.db2.gz UTAIZGNNLLGDRN-NRFANRHFSA-N 0 0 455.603 4.894 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001359951486 1064709810 /nfs/dbraw/zinc/70/98/10/1064709810.db2.gz XJYKIHMMABVFQY-XQBPLPMBSA-N 0 0 485.698 4.615 20 0 JJADRN Cc1nn(-c2cccnc2)nc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001435340885 1064709888 /nfs/dbraw/zinc/70/98/88/1064709888.db2.gz KBDXKDVGIREGGR-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001359951652 1064710121 /nfs/dbraw/zinc/71/01/21/1064710121.db2.gz AVZDGPMXUIMSAR-LVXARBLLSA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC4(C3)CCOCC4)n2C[C@@](C)(O)C(C)C)cc1 ZINC001359951637 1064710325 /nfs/dbraw/zinc/71/03/25/1064710325.db2.gz AJLRGTUCRXMVKZ-AREMUKBSSA-N 0 0 470.658 4.784 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC001435341603 1064710603 /nfs/dbraw/zinc/71/06/03/1064710603.db2.gz NUPGAKMJXUUKEX-RUZDIDTESA-N 0 0 455.514 4.534 20 0 JJADRN CN(CCc1cccs1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001435342201 1064711039 /nfs/dbraw/zinc/71/10/39/1064711039.db2.gz DCGSMSFLPOHHAC-UHFFFAOYSA-N 0 0 452.580 4.928 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)C2=O)cc1 ZINC001435341980 1064711189 /nfs/dbraw/zinc/71/11/89/1064711189.db2.gz MIDYBWQIMIJJSW-QHCPKHFHSA-N 0 0 459.521 4.620 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C)cc4)C3=O)c(F)c2)c(F)c1 ZINC001435341890 1064711242 /nfs/dbraw/zinc/71/12/42/1064711242.db2.gz LOTMYJMZYQLISK-XMMPIXPASA-N 0 0 450.485 4.874 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCS(C)(=O)=O)cc1 ZINC001359951762 1064711297 /nfs/dbraw/zinc/71/12/97/1064711297.db2.gz FKQYBUBGESCBAX-HXUWFJFHSA-N 0 0 476.687 4.677 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cccc(N2CCNC2=O)c1 ZINC001435343113 1064711576 /nfs/dbraw/zinc/71/15/76/1064711576.db2.gz NBIFVQDNDLINBP-UHFFFAOYSA-N 0 0 455.436 4.957 20 0 JJADRN C[C@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC001435343052 1064711629 /nfs/dbraw/zinc/71/16/29/1064711629.db2.gz NNPZCYVETVBOER-QHCPKHFHSA-N 0 0 454.983 4.663 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N(CCOC)c1ccc(OC)c(OC)c1 ZINC001435342341 1064711674 /nfs/dbraw/zinc/71/16/74/1064711674.db2.gz WDQHJUHCVHZURB-QGZVFWFLSA-N 0 0 450.373 4.715 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CCOC)c1ccc(OC)c(OC)c1 ZINC001435342339 1064711719 /nfs/dbraw/zinc/71/17/19/1064711719.db2.gz WDQHJUHCVHZURB-KRWDZBQOSA-N 0 0 450.373 4.715 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1cnn(C)c1Cl ZINC001435343084 1064711782 /nfs/dbraw/zinc/71/17/82/1064711782.db2.gz OKIDQKZZBRCLRO-UHFFFAOYSA-N 0 0 450.764 4.919 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2CC2)cc1 ZINC001359951974 1064712228 /nfs/dbraw/zinc/71/22/28/1064712228.db2.gz KMLBUDPZZIVUNW-UHFFFAOYSA-N 0 0 453.631 4.521 20 0 JJADRN COc1ccccc1C[C@H](C)N(C)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001435343841 1064712337 /nfs/dbraw/zinc/71/23/37/1064712337.db2.gz BTEDTXLDWJRMSJ-KRWDZBQOSA-N 0 0 457.571 4.501 20 0 JJADRN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1 ZINC001435343870 1064712383 /nfs/dbraw/zinc/71/23/83/1064712383.db2.gz BWNFTOSAAQBGBB-YZUZCNPQSA-N 0 0 455.526 4.686 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001359952080 1064712865 /nfs/dbraw/zinc/71/28/65/1064712865.db2.gz MJLJVFBHNGRGRR-LADGPHEKSA-N 0 0 456.631 4.658 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC001435344949 1064713273 /nfs/dbraw/zinc/71/32/73/1064713273.db2.gz JFCBCFIOWPUWEZ-SIKLNZKXSA-N 0 0 458.558 4.910 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCCCCC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001359952115 1064713283 /nfs/dbraw/zinc/71/32/83/1064713283.db2.gz NCIKBXJHEGQYIE-AREMUKBSSA-N 0 0 453.631 4.619 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)/C=C/Sc2ccccc2)c2cc(F)ccc2F)c1 ZINC001435345104 1064713376 /nfs/dbraw/zinc/71/33/76/1064713376.db2.gz GZOAINZLPSJEQC-OTOIZHKDSA-N 0 0 459.539 4.880 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H]2COCCO2)cc1 ZINC001359952109 1064713532 /nfs/dbraw/zinc/71/35/32/1064713532.db2.gz MYEQDZZPUHGKCK-UPVQGACJSA-N 0 0 456.631 4.658 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1 ZINC001435346219 1064713861 /nfs/dbraw/zinc/71/38/61/1064713861.db2.gz TXAZPSICSIISNS-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001359952156 1064714003 /nfs/dbraw/zinc/71/40/03/1064714003.db2.gz NZYMEAFRMBFIBF-JTHBVZDNSA-N 0 0 488.698 4.821 20 0 JJADRN O=C(NCCCNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccccc1F ZINC001435347763 1064714365 /nfs/dbraw/zinc/71/43/65/1064714365.db2.gz YTLKMVFWVCEJBE-JOCHJYFZSA-N 0 0 458.505 4.874 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Oc1cccc(Br)c1 ZINC001435347034 1064714424 /nfs/dbraw/zinc/71/44/24/1064714424.db2.gz PCGZCKSACPABGS-XHBKTUGNSA-N 0 0 458.274 4.515 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Oc1cccc(Br)c1 ZINC001435347031 1064714574 /nfs/dbraw/zinc/71/45/74/1064714574.db2.gz PCGZCKSACPABGS-BJOOFOGMSA-N 0 0 458.274 4.515 20 0 JJADRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001435347984 1064714928 /nfs/dbraw/zinc/71/49/28/1064714928.db2.gz BIOXCLWONHHLFY-HNNXBMFYSA-N 0 0 455.352 4.982 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]3C)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001359952422 1064715146 /nfs/dbraw/zinc/71/51/46/1064715146.db2.gz VTHYBYQDLACNFB-HXUWFJFHSA-N 0 0 499.656 4.652 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)C2(Cc3ccccc3Br)CC2)n1 ZINC001435348898 1064715454 /nfs/dbraw/zinc/71/54/54/1064715454.db2.gz IJYCLKCAKIZIEA-AWEZNQCLSA-N 0 0 456.340 4.708 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(Br)cc3cccnc32)n1 ZINC001435348515 1064715506 /nfs/dbraw/zinc/71/55/06/1064715506.db2.gz FYPFDFJEKIARIS-LBPRGKRZSA-N 0 0 453.296 4.547 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)ccn2)c1C ZINC001435348942 1064715652 /nfs/dbraw/zinc/71/56/52/1064715652.db2.gz IQPGYGLLRARGCO-XMMPIXPASA-N 0 0 458.624 4.879 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]3c3nncn3C)n2CCC(C)(F)F)cc1 ZINC001359952635 1064715790 /nfs/dbraw/zinc/71/57/90/1064715790.db2.gz YHEQNFWOBNPZPX-FQEVSTJZSA-N 0 0 473.572 4.885 20 0 JJADRN CSc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1-c1ccccc1 ZINC001359953246 1064716672 /nfs/dbraw/zinc/71/66/72/1064716672.db2.gz FMXOHFSVBHPBBJ-JOCHJYFZSA-N 0 0 456.571 4.574 20 0 JJADRN Cc1cccc2c1CCN(C(=O)c1cc(S(=O)(=O)Nc3ccccc3F)ccc1Cl)C2 ZINC001359952834 1064716976 /nfs/dbraw/zinc/71/69/76/1064716976.db2.gz JNDSVGCHMXFBGC-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001359953935 1064717157 /nfs/dbraw/zinc/71/71/57/1064717157.db2.gz ADQBYVJMTQWBPU-UHFFFAOYSA-N 0 0 483.617 4.714 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001359953940 1064717174 /nfs/dbraw/zinc/71/71/74/1064717174.db2.gz AHTVGHZNSPMANL-UHFFFAOYSA-N 0 0 463.626 4.647 20 0 JJADRN CN1CCN(C(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c2ccc(F)cc21 ZINC001435350887 1064717384 /nfs/dbraw/zinc/71/73/84/1064717384.db2.gz SGXDCQRPYXEBNC-LJQANCHMSA-N 0 0 453.558 4.867 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cncc(N3CCCC3=O)c2)c2ccc(F)c(F)c2)c1 ZINC001435350838 1064717400 /nfs/dbraw/zinc/71/74/00/1064717400.db2.gz IMIUOZYNAYBZNP-QHCPKHFHSA-N 0 0 453.514 4.728 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCCC1 ZINC001359953695 1064717316 /nfs/dbraw/zinc/71/73/16/1064717316.db2.gz RJWQWIURIWSBMW-UHFFFAOYSA-N 0 0 455.483 4.641 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001359953969 1064717780 /nfs/dbraw/zinc/71/77/80/1064717780.db2.gz AZAZQEGPXRCTMR-JGCGQSQUSA-N 0 0 479.090 4.931 20 0 JJADRN CS[C@H]1CC[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C1 ZINC001435351596 1064717668 /nfs/dbraw/zinc/71/76/68/1064717668.db2.gz IZQSRPPFLXQDEC-UWVGGRQHSA-N 0 0 454.852 4.589 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCS(=O)(=O)c2cccc(Br)c2)o1 ZINC001435351731 1064717904 /nfs/dbraw/zinc/71/79/04/1064717904.db2.gz ZTJWQYVKJIJLLH-KBXCAEBGSA-N 0 0 454.386 4.514 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1 ZINC001435353824 1064718949 /nfs/dbraw/zinc/71/89/49/1064718949.db2.gz XZTIHMKVBHQMLG-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN CS[C@H]1CC[C@@H](NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001435353541 1064719026 /nfs/dbraw/zinc/71/90/26/1064719026.db2.gz WIDOLEINKYRVCU-MJGOQNOKSA-N 0 0 452.498 4.737 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 ZINC001435354739 1064720025 /nfs/dbraw/zinc/72/00/25/1064720025.db2.gz KIZXLRMWGNVUIS-UHFFFAOYSA-N 0 0 455.470 4.783 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1nc(C(C)(C)C)no1 ZINC001435356814 1064720898 /nfs/dbraw/zinc/72/08/98/1064720898.db2.gz GBIUBKAEACHOJH-QAPCUYQASA-N 0 0 456.587 4.803 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 ZINC001359954801 1064721556 /nfs/dbraw/zinc/72/15/56/1064721556.db2.gz QUMFUHXYKSOYNK-IFMALSPDSA-N 0 0 472.605 4.934 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCc2ccncc2)cc1 ZINC001359954800 1064721586 /nfs/dbraw/zinc/72/15/86/1064721586.db2.gz LJHILIKAGQXBGE-VWLOTQADSA-N 0 0 463.626 4.869 20 0 JJADRN CC(C)[C@@H](C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1)S(=O)(=O)C1CCCCC1 ZINC001435357304 1064721631 /nfs/dbraw/zinc/72/16/31/1064721631.db2.gz PINKQCQGCHAODB-FQEVSTJZSA-N 0 0 453.601 4.735 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCSC2)cc1 ZINC001359954876 1064722013 /nfs/dbraw/zinc/72/20/13/1064722013.db2.gz MOWHMDKXXDNPIN-NFBKMPQASA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCSC2)cc1 ZINC001359954877 1064722148 /nfs/dbraw/zinc/72/21/48/1064722148.db2.gz MOWHMDKXXDNPIN-NZQKXSOJSA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2[C@@H]2C[C@H]2CF)cc1 ZINC001359954846 1064722310 /nfs/dbraw/zinc/72/23/10/1064722310.db2.gz MAUSUBCKABOMNR-AZUAARDMSA-N 0 0 469.527 4.585 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1F ZINC001435358388 1064722748 /nfs/dbraw/zinc/72/27/48/1064722748.db2.gz UIUMQQLMWBRNJX-GOSISDBHSA-N 0 0 454.542 4.656 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1F ZINC001435359587 1064723318 /nfs/dbraw/zinc/72/33/18/1064723318.db2.gz ZUUUARKWSJMODK-ZDUSSCGKSA-N 0 0 458.486 4.627 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1F ZINC001435359584 1064723345 /nfs/dbraw/zinc/72/33/45/1064723345.db2.gz ZUUUARKWSJMODK-CYBMUJFWSA-N 0 0 458.486 4.627 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C2CC2)cc1 ZINC001359955089 1064723415 /nfs/dbraw/zinc/72/34/15/1064723415.db2.gz QBLXUWSTLJEQGH-UHFFFAOYSA-N 0 0 455.603 4.762 20 0 JJADRN CC1CCN(c2ccc(C(=O)N(CC(=O)OC(C)(C)C)c3ccc4c(c3)OCO4)cc2)CC1 ZINC001435359685 1064723895 /nfs/dbraw/zinc/72/38/95/1064723895.db2.gz CADPBGXCLFMBOW-UHFFFAOYSA-N 0 0 452.551 4.640 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N(CC)c1ccccc1S(=O)(=O)CC ZINC001435362018 1064724710 /nfs/dbraw/zinc/72/47/10/1064724710.db2.gz GSDHVGDQCFFNOE-QGZVFWFLSA-N 0 0 452.414 4.865 20 0 JJADRN COC(=O)CCc1ccc(NC(=O)c2cc(Br)c(C)cc2Br)cc1 ZINC001359956739 1064724960 /nfs/dbraw/zinc/72/49/60/1064724960.db2.gz XYHIROQHAIARCV-UHFFFAOYSA-N 0 0 455.146 4.878 20 0 JJADRN C[C@H](OC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2n1C ZINC001435364978 1064725672 /nfs/dbraw/zinc/72/56/72/1064725672.db2.gz VPASTDSWSQQTHP-LBPRGKRZSA-N 0 0 455.363 4.737 20 0 JJADRN NC(=O)C[C@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)C1CCCCC1 ZINC001435365134 1064726181 /nfs/dbraw/zinc/72/61/81/1064726181.db2.gz XDHRMKQGQONINM-QHCPKHFHSA-N 0 0 453.533 4.986 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)Cc3cc(Cl)ccc3Cl)CCCC2)cc1OC ZINC001435366609 1064726212 /nfs/dbraw/zinc/72/62/12/1064726212.db2.gz MVGVAFBULBEDER-UHFFFAOYSA-N 0 0 451.350 4.621 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC001435365766 1064726309 /nfs/dbraw/zinc/72/63/09/1064726309.db2.gz FVAFOCCMHIGEAV-HBFSDRIKSA-N 0 0 457.412 4.918 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C)c3ccc(Cl)cc32)cc1 ZINC001435367016 1064726911 /nfs/dbraw/zinc/72/69/11/1064726911.db2.gz BCTQJJXPHMICIJ-ROUUACIJSA-N 0 0 455.986 4.605 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001359957969 1064726974 /nfs/dbraw/zinc/72/69/74/1064726974.db2.gz JAJYXWHTOXKEKN-IBGZPJMESA-N 0 0 476.691 4.749 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1csc(-c2ccccc2F)n1 ZINC001435368526 1064727122 /nfs/dbraw/zinc/72/71/22/1064727122.db2.gz HFRWNLAAZZPRRS-GOSISDBHSA-N 0 0 457.958 4.802 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001359958230 1064727441 /nfs/dbraw/zinc/72/74/41/1064727441.db2.gz POLNERDKAQBDAT-NRFANRHFSA-N 0 0 493.574 4.522 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001435369733 1064727604 /nfs/dbraw/zinc/72/76/04/1064727604.db2.gz LSMCZLLWFJTHRQ-RLWLMLJZSA-N 0 0 454.570 4.832 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001435369732 1064727670 /nfs/dbraw/zinc/72/76/70/1064727670.db2.gz LSMCZLLWFJTHRQ-QFQXNSOFSA-N 0 0 454.570 4.832 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2CCOC2CCCCCC2)CC1 ZINC001359958410 1064727779 /nfs/dbraw/zinc/72/77/79/1064727779.db2.gz VHFIPOJQUMOLIY-JOCHJYFZSA-N 0 0 462.679 4.943 20 0 JJADRN Cc1nc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)ccc1I ZINC001435370898 1064728193 /nfs/dbraw/zinc/72/81/93/1064728193.db2.gz BSJXVGVXCHSGKR-AULYBMBSSA-N 0 0 455.365 4.926 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001359958465 1064728201 /nfs/dbraw/zinc/72/82/01/1064728201.db2.gz XBENZCZCWSFPDD-HSZRJFAPSA-N 0 0 458.622 4.855 20 0 JJADRN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001435372450 1064728235 /nfs/dbraw/zinc/72/82/35/1064728235.db2.gz JZFGYYKYKXEIJY-XMMPIXPASA-N 0 0 454.636 4.695 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c1 ZINC001435374549 1064728827 /nfs/dbraw/zinc/72/88/27/1064728827.db2.gz AGNACQVLVDGIHW-NHCUHLMSSA-N 0 0 458.558 4.959 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1OC ZINC001435375210 1064729082 /nfs/dbraw/zinc/72/90/82/1064729082.db2.gz HJENTAMWMVOPBM-OAHLLOKOSA-N 0 0 453.764 4.519 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001435374995 1064729289 /nfs/dbraw/zinc/72/92/89/1064729289.db2.gz UAXJMUYIZNIYPG-XARZLDAJSA-N 0 0 451.542 4.542 20 0 JJADRN CC(C)CCOCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001359958794 1064729260 /nfs/dbraw/zinc/72/92/60/1064729260.db2.gz HQNMEYBQOWUIGX-MRXNPFEDSA-N 0 0 476.046 4.578 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001435375813 1064729709 /nfs/dbraw/zinc/72/97/09/1064729709.db2.gz DNAINYKIQRIANY-SVBPBHIXSA-N 0 0 456.586 4.798 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001435375815 1064729742 /nfs/dbraw/zinc/72/97/42/1064729742.db2.gz DNAINYKIQRIANY-SXOMAYOGSA-N 0 0 456.586 4.798 20 0 JJADRN 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COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC001435423601 1064750510 /nfs/dbraw/zinc/75/05/10/1064750510.db2.gz LLKTXXDZSCWGPF-NQIIRXRSSA-N 0 0 454.998 4.681 20 0 JJADRN CC(C)(C)c1ccc(SCC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC001435425255 1064751170 /nfs/dbraw/zinc/75/11/70/1064751170.db2.gz FKIWLJUXXYGZJB-UHFFFAOYSA-N 0 0 453.633 4.779 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1nc(C)cs1 ZINC001359974438 1064751377 /nfs/dbraw/zinc/75/13/77/1064751377.db2.gz CYIKTWGVSIMPFH-UTKZUKDTSA-N 0 0 451.592 4.733 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1nc(C)cs1 ZINC001359974439 1064751453 /nfs/dbraw/zinc/75/14/53/1064751453.db2.gz CYIKTWGVSIMPFH-UWJYYQICSA-N 0 0 451.592 4.733 20 0 JJADRN C[C@@H](Cc1cccs1)N(C)C(=O)c1cccn1-c1cccc(I)c1 ZINC001435427682 1064751646 /nfs/dbraw/zinc/75/16/46/1064751646.db2.gz VVROSTUFXGJGED-AWEZNQCLSA-N 0 0 450.345 4.847 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001359974962 1064752028 /nfs/dbraw/zinc/75/20/28/1064752028.db2.gz CMEXRRALQCHODR-NHYWBVRUSA-N 0 0 455.274 4.641 20 0 JJADRN Cc1c(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)cnn1-c1cccc(Br)c1 ZINC001359975321 1064752148 /nfs/dbraw/zinc/75/21/48/1064752148.db2.gz KYRAUWRNSNKAOX-UHFFFAOYSA-N 0 0 459.369 4.969 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359976123 1064752532 /nfs/dbraw/zinc/75/25/32/1064752532.db2.gz HBYBQZQAPLTANG-JOCHJYFZSA-N 0 0 481.645 4.772 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1cccc(OCC(F)(F)F)c1)OCO2 ZINC001435430911 1064752565 /nfs/dbraw/zinc/75/25/65/1064752565.db2.gz OLCXDCILDJMNEX-UHFFFAOYSA-N 0 0 454.401 4.956 20 0 JJADRN C[C@H]1Sc2ccccc2N(C(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC001435432162 1064753571 /nfs/dbraw/zinc/75/35/71/1064753571.db2.gz BXQMDACELFCRFG-ZIAGYGMSSA-N 0 0 454.411 4.529 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001359977559 1064753575 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ARDBAYDQODHUPF-KNQAVFIVSA-N 0 0 471.646 4.586 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cn2)cc1OC ZINC001359977948 1064754151 /nfs/dbraw/zinc/75/41/51/1064754151.db2.gz XIYXREQKMFITKR-UHFFFAOYSA-N 0 0 455.505 4.812 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435432751 1064754219 /nfs/dbraw/zinc/75/42/19/1064754219.db2.gz DWLMRFYYNALLIP-AZYRPFHASA-N 0 0 450.589 4.566 20 0 JJADRN C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435433367 1064754458 /nfs/dbraw/zinc/75/44/58/1064754458.db2.gz HTVARTOKPPTYQM-CRAIPNDOSA-N 0 0 459.359 4.586 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001435433592 1064754603 /nfs/dbraw/zinc/75/46/03/1064754603.db2.gz HLFLCQMZIRSXTI-QPPBQGQZSA-N 0 0 451.611 4.694 20 0 JJADRN C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435433368 1064754632 /nfs/dbraw/zinc/75/46/32/1064754632.db2.gz HTVARTOKPPTYQM-MAUKXSAKSA-N 0 0 459.359 4.586 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001435433597 1064755038 /nfs/dbraw/zinc/75/50/38/1064755038.db2.gz HLFLCQMZIRSXTI-XUZZJYLKSA-N 0 0 451.611 4.694 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435433790 1064755083 /nfs/dbraw/zinc/75/50/83/1064755083.db2.gz KYAUWOQAAQZPGL-YQQAZPJKSA-N 0 0 462.612 4.983 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSc1ccccc1 ZINC001359979777 1064755158 /nfs/dbraw/zinc/75/51/58/1064755158.db2.gz QOQKXNDUJGFINE-NRFANRHFSA-N 0 0 489.686 4.861 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2ccc(OC3CCCC3)nc2)c2ccc(Cl)cc2)CCO1 ZINC001359980363 1064755558 /nfs/dbraw/zinc/75/55/58/1064755558.db2.gz IYVRRJRWLHPOAX-QFIPXVFZSA-N 0 0 458.002 4.638 20 0 JJADRN C[S@@](=O)c1ccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1 ZINC001435434848 1064755679 /nfs/dbraw/zinc/75/56/79/1064755679.db2.gz JCWXDQQRQYQLNA-LYZGTLIUSA-N 0 0 458.377 4.623 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)s2)cc1OC ZINC001435436354 1064756229 /nfs/dbraw/zinc/75/62/29/1064756229.db2.gz QMGSMHRCFCBGDW-IWAYBZMOSA-N 0 0 458.605 4.706 20 0 JJADRN CC(C)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001359981026 1064756291 /nfs/dbraw/zinc/75/62/91/1064756291.db2.gz OGQDTHYLUZJXNN-UHFFFAOYSA-N 0 0 476.606 4.597 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001359981107 1064756487 /nfs/dbraw/zinc/75/64/87/1064756487.db2.gz QTKVWOMZWSIHRV-PKTZIBPZSA-N 0 0 453.970 4.886 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 ZINC001359981359 1064756535 /nfs/dbraw/zinc/75/65/35/1064756535.db2.gz VOVYOEWNPKDFDQ-QHCPKHFHSA-N 0 0 459.030 4.985 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c2cc(F)ccc2OC)c1 ZINC001435438477 1064756944 /nfs/dbraw/zinc/75/69/44/1064756944.db2.gz VZMBHYCGFBBFMJ-RBZFPXEDSA-N 0 0 451.420 4.525 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)C1 ZINC001435438414 1064757203 /nfs/dbraw/zinc/75/72/03/1064757203.db2.gz YTZWMMQPUXYDEA-HNNXBMFYSA-N 0 0 459.978 4.674 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CSCCS1 ZINC001359982459 1064757656 /nfs/dbraw/zinc/75/76/56/1064757656.db2.gz DQZJIOUWNUTMAQ-KRWDZBQOSA-N 0 0 471.490 4.560 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)s2)cc1 ZINC001435439480 1064758043 /nfs/dbraw/zinc/75/80/43/1064758043.db2.gz IJQLDAWNXNEJQW-JOCHJYFZSA-N 0 0 450.560 4.841 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1OC(C)C)c1ccc(Cl)cc1 ZINC001435440004 1064758161 /nfs/dbraw/zinc/75/81/61/1064758161.db2.gz QSVCZCKBDZUQMB-KRWDZBQOSA-N 0 0 454.748 4.924 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001435439997 1064758229 /nfs/dbraw/zinc/75/82/29/1064758229.db2.gz LTIOUYLQNSRWRX-FQEVSTJZSA-N 0 0 457.578 4.640 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1nc2ccccc2[nH]1 ZINC001359982871 1064758658 /nfs/dbraw/zinc/75/86/58/1064758658.db2.gz MTRYNAZXUMLUGC-NRFANRHFSA-N 0 0 481.645 4.951 20 0 JJADRN CC(C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001359982921 1064758843 /nfs/dbraw/zinc/75/88/43/1064758843.db2.gz OOUCRYKNEJHHTO-QGZVFWFLSA-N 0 0 451.036 4.859 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001435443495 1064759687 /nfs/dbraw/zinc/75/96/87/1064759687.db2.gz LIOTUYINYQPOBC-QWHCGFSZSA-N 0 0 451.752 4.600 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(C)O)cc1)C1CCCC1 ZINC001359983245 1064759863 /nfs/dbraw/zinc/75/98/63/1064759863.db2.gz MSZXIKUPHQYYTA-MUUNZHRXSA-N 0 0 484.685 4.999 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359983236 1064759994 /nfs/dbraw/zinc/75/99/94/1064759994.db2.gz UWDVYHLZZSXGEH-FUMQJTLXSA-N 0 0 492.064 4.702 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(c4cc(F)ccc4F)CC3)c12 ZINC001435444209 1064760208 /nfs/dbraw/zinc/76/02/08/1064760208.db2.gz URHXBPAQUZRFCG-UHFFFAOYSA-N 0 0 455.553 4.859 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn(C)nc1-c1ccccc1)C(C)C ZINC001359983338 1064760230 /nfs/dbraw/zinc/76/02/30/1064760230.db2.gz NRSUKLYTIGNLCQ-MHZLTWQESA-N 0 0 480.657 4.638 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NC1CCCCC1)C(C)C ZINC001359983415 1064760520 /nfs/dbraw/zinc/76/05/20/1064760520.db2.gz PMXYGGJCRGGSDR-LJQANCHMSA-N 0 0 459.610 4.877 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001435444219 1064760400 /nfs/dbraw/zinc/76/04/00/1064760400.db2.gz UTFQFLDSSUUCHE-HUUCEWRRSA-N 0 0 454.995 4.820 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001435444064 1064760448 /nfs/dbraw/zinc/76/04/48/1064760448.db2.gz SGUFIVQHLCZJGM-STQMWFEESA-N 0 0 458.805 4.770 20 0 JJADRN C[C@H](NC(=O)COc1ccc(F)cc1Br)c1noc(-c2ccc(Cl)cc2)n1 ZINC001435444968 1064760680 /nfs/dbraw/zinc/76/06/80/1064760680.db2.gz BKGQPAGIZIIXQQ-JTQLQIEISA-N 0 0 454.683 4.548 20 0 JJADRN COc1ccccc1SCC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001435444559 1064760760 /nfs/dbraw/zinc/76/07/60/1064760760.db2.gz BLRMHNLXTUNGQE-UHFFFAOYSA-N 0 0 456.545 4.511 20 0 JJADRN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1(C)C ZINC001435444736 1064760827 /nfs/dbraw/zinc/76/08/27/1064760827.db2.gz VEOCLVJRHAHVJI-DHIUTWEWSA-N 0 0 458.624 4.568 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C)C1CCCC1 ZINC001359983730 1064761522 /nfs/dbraw/zinc/76/15/22/1064761522.db2.gz XFJPWHLKVIILSE-AVRDEDQJSA-N 0 0 471.621 4.877 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCCC2)nc1)C(C)C ZINC001359984591 1064762207 /nfs/dbraw/zinc/76/22/07/1064762207.db2.gz AYCMSMDGLRPYNK-UHFFFAOYSA-N 0 0 486.462 4.950 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC001435449232 1064763426 /nfs/dbraw/zinc/76/34/26/1064763426.db2.gz VLBLQMZYVLKSKY-LJQANCHMSA-N 0 0 455.769 4.678 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)COc3cc(C)c(Cl)c(C)c3)c2C)ccn1 ZINC001435449742 1064764159 /nfs/dbraw/zinc/76/41/59/1064764159.db2.gz PJGONBMJMCXMJH-UHFFFAOYSA-N 0 0 454.910 4.797 20 0 JJADRN COc1cc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)ccc1OCc1c(C)noc1C ZINC001435449804 1064764238 /nfs/dbraw/zinc/76/42/38/1064764238.db2.gz KRKZHDWABIQYJH-CSKARUKUSA-N 0 0 454.910 4.971 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(C)(=O)=O)C1CCCC1 ZINC001359985516 1064764251 /nfs/dbraw/zinc/76/42/51/1064764251.db2.gz MVYKKVSZJDLGCZ-KRWDZBQOSA-N 0 0 464.701 4.581 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1CCn1cc([C@H]2CCOC2)cn1)C(C)C ZINC001359985365 1064764339 /nfs/dbraw/zinc/76/43/39/1064764339.db2.gz KZPJKENPBNKRTR-FQEVSTJZSA-N 0 0 457.022 4.870 20 0 JJADRN CCCc1nc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)nn1-c1ccccc1F ZINC001359985400 1064764517 /nfs/dbraw/zinc/76/45/17/1064764517.db2.gz RDPGXWMKIYTHLM-UHFFFAOYSA-N 0 0 452.530 4.619 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)c1cc(Cl)cc(Cl)c1 ZINC001435451373 1064764581 /nfs/dbraw/zinc/76/45/81/1064764581.db2.gz MKLDXBCLJBAFSN-OAHLLOKOSA-N 0 0 450.366 4.835 20 0 JJADRN Cc1c(C(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)nnn1Cc1ccc(F)cc1F ZINC001435451763 1064764731 /nfs/dbraw/zinc/76/47/31/1064764731.db2.gz IJSFFXPXBJLXOQ-UHFFFAOYSA-N 0 0 453.320 4.971 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1)C1CCCC1 ZINC001359985782 1064764883 /nfs/dbraw/zinc/76/48/83/1064764883.db2.gz PTEDZUPCQUUEFY-UHFFFAOYSA-N 0 0 465.063 4.971 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC001435452602 1064765064 /nfs/dbraw/zinc/76/50/64/1064765064.db2.gz XUNQXSUZFNRGLV-UHFFFAOYSA-N 0 0 451.777 4.782 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1cc(Br)ccc1OC(F)F ZINC001435453624 1064765262 /nfs/dbraw/zinc/76/52/62/1064765262.db2.gz KZJKGYIGTNXQKU-UHFFFAOYSA-N 0 0 458.646 4.642 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC001435454065 1064765653 /nfs/dbraw/zinc/76/56/53/1064765653.db2.gz DZQXRVMHFPPAIZ-UHFFFAOYSA-N 0 0 456.333 4.793 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCS1(=O)=O)C(C)C ZINC001359986047 1064765819 /nfs/dbraw/zinc/76/58/19/1064765819.db2.gz WLHDPDDPTFKIPN-LJQANCHMSA-N 0 0 483.476 4.546 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCO[C@@H]1C)C(C)C ZINC001359986030 1064766001 /nfs/dbraw/zinc/76/60/01/1064766001.db2.gz VWOWNLBVFQMIAP-FQRUVTKNSA-N 0 0 468.598 4.528 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCOC[C@@H]1C)C(C)C ZINC001359986070 1064766404 /nfs/dbraw/zinc/76/64/04/1064766404.db2.gz XTNNUKLQUGOPTK-PMACEKPBSA-N 0 0 459.704 4.723 20 0 JJADRN COc1cccc(OC)c1COC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001435454402 1064766489 /nfs/dbraw/zinc/76/64/89/1064766489.db2.gz NVJSWNYIXHWPSH-UHFFFAOYSA-N 0 0 454.367 4.937 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435454845 1064766527 /nfs/dbraw/zinc/76/65/27/1064766527.db2.gz FFNCHBNOFGNSIC-UXHICEINSA-N 0 0 451.792 4.512 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCS(C)(=O)=O)C(C)C ZINC001359986123 1064766511 /nfs/dbraw/zinc/76/65/11/1064766511.db2.gz ZOUXAZKXGDFBMP-UHFFFAOYSA-N 0 0 464.632 4.728 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nc(C2CC2)cs1)C(C)C ZINC001359986107 1064766603 /nfs/dbraw/zinc/76/66/03/1064766603.db2.gz YYAKIQGOZSLEDI-UHFFFAOYSA-N 0 0 473.668 4.602 20 0 JJADRN CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435454333 1064766743 /nfs/dbraw/zinc/76/67/43/1064766743.db2.gz CFUOQJDVEOFKIR-OHCFRWENSA-N 0 0 455.668 4.775 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccc2Cl)n1C[C@@H](N1CCOCC1)C(F)(F)F)C(C)C ZINC001359986370 1064767079 /nfs/dbraw/zinc/76/70/79/1064767079.db2.gz KCTGVTQYLXDQJS-LJQANCHMSA-N 0 0 473.971 4.732 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)c(OC(F)F)c1 ZINC001435456106 1064767417 /nfs/dbraw/zinc/76/74/17/1064767417.db2.gz ZVIZLUWQAVUVKZ-ZDUSSCGKSA-N 0 0 458.299 4.923 20 0 JJADRN CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435456686 1064767762 /nfs/dbraw/zinc/76/77/62/1064767762.db2.gz QPNNJJKKERDQAI-SSKFGXFMSA-N 0 0 451.394 4.557 20 0 JJADRN CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@](=O)C(C)(C)C)C(C)C ZINC001359987172 1064768198 /nfs/dbraw/zinc/76/81/98/1064768198.db2.gz MIZNQTSGKCXUGN-YTTGMZPUSA-N 0 0 456.660 4.549 20 0 JJADRN CC(C)CN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1cccc(Cl)c1)C1CCCC1 ZINC001359987720 1064768517 /nfs/dbraw/zinc/76/85/17/1064768517.db2.gz UTBPGNXIAYZOGP-DEOSSOPVSA-N 0 0 455.006 4.701 20 0 JJADRN CC(C)CN(c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001359987486 1064768679 /nfs/dbraw/zinc/76/86/79/1064768679.db2.gz RVDXCIXARGCXPX-UHFFFAOYSA-N 0 0 463.504 4.944 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC001359988209 1064769218 /nfs/dbraw/zinc/76/92/18/1064769218.db2.gz WVOXOAXDHRNIAR-NSPYISDASA-N 0 0 451.778 4.850 20 0 JJADRN CC(C)CN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC(F)(F)F)C(C)C ZINC001359987948 1064769260 /nfs/dbraw/zinc/76/92/60/1064769260.db2.gz ZHZVPRHAEWWONI-UHFFFAOYSA-N 0 0 450.509 4.669 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC001435460656 1064770359 /nfs/dbraw/zinc/77/03/59/1064770359.db2.gz QKCJRUNKMVQSTJ-GFCCVEGCSA-N 0 0 451.173 4.606 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC001359989471 1064770729 /nfs/dbraw/zinc/77/07/29/1064770729.db2.gz MNOLBKHJHUQPBG-FQEVSTJZSA-N 0 0 479.547 4.776 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1)C1CCCC1 ZINC001359989591 1064770918 /nfs/dbraw/zinc/77/09/18/1064770918.db2.gz BDXRCMHGTOWUEB-QHCPKHFHSA-N 0 0 498.672 4.629 20 0 JJADRN Cc1cc(C(=O)Nc2ncc(Br)cc2C)nn1-c1ccccc1Br ZINC001435462089 1064771235 /nfs/dbraw/zinc/77/12/35/1064771235.db2.gz YHUTVMAAIXXZIE-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(C(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1 ZINC001435461698 1064771268 /nfs/dbraw/zinc/77/12/68/1064771268.db2.gz UPAMFZNHCHOQQD-QHCPKHFHSA-N 0 0 454.979 4.530 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359989877 1064771290 /nfs/dbraw/zinc/77/12/90/1064771290.db2.gz QYMDUEYVRLGMQR-FDDCHVKYSA-N 0 0 466.548 4.637 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 ZINC001435461470 1064771428 /nfs/dbraw/zinc/77/14/28/1064771428.db2.gz PEJHAMSVDLHHLJ-OAQYLSRUSA-N 0 0 451.445 4.610 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC001435462152 1064771758 /nfs/dbraw/zinc/77/17/58/1064771758.db2.gz UIQHKMXMKDHOSZ-UHFFFAOYSA-N 0 0 453.951 4.843 20 0 JJADRN COCCN(CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC001435462104 1064771822 /nfs/dbraw/zinc/77/18/22/1064771822.db2.gz YXFDNQMAWHLCJJ-QFIPXVFZSA-N 0 0 458.986 4.850 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1Br)CC(C)C ZINC001435462459 1064771946 /nfs/dbraw/zinc/77/19/46/1064771946.db2.gz DZVNEZYPFZPSLJ-QHCPKHFHSA-N 0 0 457.412 4.970 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1)C1CCCC1 ZINC001359990543 1064772234 /nfs/dbraw/zinc/77/22/34/1064772234.db2.gz NLAIIXJTNILLQC-IBGZPJMESA-N 0 0 466.598 4.571 20 0 JJADRN COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)c(C(=O)NC2CC2)c1 ZINC001359990940 1064772661 /nfs/dbraw/zinc/77/26/61/1064772661.db2.gz KIYQYRPHNJILAX-UHFFFAOYSA-N 0 0 459.333 4.641 20 0 JJADRN COC(=O)Cc1cccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 ZINC001435464140 1064772659 /nfs/dbraw/zinc/77/26/59/1064772659.db2.gz CSNRGMPJIVOVRJ-UHFFFAOYSA-N 0 0 459.271 4.743 20 0 JJADRN Cc1ccc(C2(C(=O)NCc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CCOCC2)cc1 ZINC001435463893 1064772694 /nfs/dbraw/zinc/77/26/94/1064772694.db2.gz APPFRYCXFRRPGP-FQEVSTJZSA-N 0 0 452.595 4.945 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2s1)C(C)C ZINC001359991094 1064772710 /nfs/dbraw/zinc/77/27/10/1064772710.db2.gz VTVCTWUWDQAFBP-LJQANCHMSA-N 0 0 460.669 4.508 20 0 JJADRN CC(C)CN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(-n2cccn2)c1)C(C)C ZINC001359990815 1064772737 /nfs/dbraw/zinc/77/27/37/1064772737.db2.gz QICXHRHCIIQJSO-UHFFFAOYSA-N 0 0 465.552 4.647 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)C2CCC2)c1)C(C)C ZINC001359991019 1064772818 /nfs/dbraw/zinc/77/28/18/1064772818.db2.gz UHGRXYZRZPHUCU-UHFFFAOYSA-N 0 0 460.626 4.922 20 0 JJADRN Cc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)c(I)cc1Cl ZINC001435465046 1064773115 /nfs/dbraw/zinc/77/31/15/1064773115.db2.gz VIDQIEWKVMLNKU-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN COc1ccc(CCCC(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1 ZINC001435464986 1064773287 /nfs/dbraw/zinc/77/32/87/1064773287.db2.gz MBYOHERZRJCFTG-SFHVURJKSA-N 0 0 456.583 4.929 20 0 JJADRN O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001435465025 1064773348 /nfs/dbraw/zinc/77/33/48/1064773348.db2.gz VVOSYYYJHDEQTH-UHFFFAOYSA-N 0 0 458.320 4.998 20 0 JJADRN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001359991572 1064773778 /nfs/dbraw/zinc/77/37/78/1064773778.db2.gz WZXQUQWNXCKJLN-OAQYLSRUSA-N 0 0 450.913 4.556 20 0 JJADRN CC(C)CN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1)C(C)C ZINC001359991832 1064773859 /nfs/dbraw/zinc/77/38/59/1064773859.db2.gz GWFBUFVQBKSFFD-RUZDIDTESA-N 0 0 466.674 4.578 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1Cc1ccc(NC(=O)NC(C)C)cc1)C(C)C ZINC001359992373 1064774470 /nfs/dbraw/zinc/77/44/70/1064774470.db2.gz SPZAZZULRPANBE-UHFFFAOYSA-N 0 0 463.630 4.713 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1Cc1nc2cccc(Cl)c2n1C)C(C)C ZINC001359992505 1064774499 /nfs/dbraw/zinc/77/44/99/1064774499.db2.gz WGLQAESQHYSXRG-UHFFFAOYSA-N 0 0 452.006 4.723 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001359992408 1064774585 /nfs/dbraw/zinc/77/45/85/1064774585.db2.gz FUXKMCVWAGAHRN-UHFFFAOYSA-N 0 0 451.319 4.537 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccccc1 ZINC001435467641 1064774872 /nfs/dbraw/zinc/77/48/72/1064774872.db2.gz PRBSSTDSYCCNPE-FQEVSTJZSA-N 0 0 455.967 4.952 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC001435468545 1064775447 /nfs/dbraw/zinc/77/54/47/1064775447.db2.gz VDPNQVSRXATVDU-UHFFFAOYSA-N 0 0 453.442 4.873 20 0 JJADRN Cc1ccc(CNC(=O)c2ncc(Br)cc2Br)c(OCC2CC2)c1 ZINC001435468602 1064775568 /nfs/dbraw/zinc/77/55/68/1064775568.db2.gz HDLAXQZXGRRBDW-UHFFFAOYSA-N 0 0 454.162 4.634 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1Cc1csc(-c2ccco2)n1)C(C)C ZINC001359992940 1064775463 /nfs/dbraw/zinc/77/54/63/1064775463.db2.gz IPFDDFHQRFVFSS-UHFFFAOYSA-N 0 0 484.651 4.905 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1F ZINC001435469549 1064775950 /nfs/dbraw/zinc/77/59/50/1064775950.db2.gz GBTOTQMOVDKAPK-UHFFFAOYSA-N 0 0 455.461 4.774 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001435470235 1064776442 /nfs/dbraw/zinc/77/64/42/1064776442.db2.gz SSWOHYLUVROIBR-QHCPKHFHSA-N 0 0 456.546 4.789 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccc(Br)nc3)[C@@H]2c2cccs2)cc1 ZINC001435469747 1064776699 /nfs/dbraw/zinc/77/66/99/1064776699.db2.gz KFEGIHHLVXBXDB-OXJNMPFZSA-N 0 0 456.365 4.947 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCCCC1)C(C)C ZINC001359993357 1064776809 /nfs/dbraw/zinc/77/68/09/1064776809.db2.gz SPQIMFSBNGJYRL-BGYRXZFFSA-N 0 0 463.667 4.615 20 0 JJADRN Cc1sc([C@H](C)NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)nc1-c1ccc(Cl)cc1 ZINC001435471503 1064776987 /nfs/dbraw/zinc/77/69/87/1064776987.db2.gz WDTZGARDQWZGFB-AWEZNQCLSA-N 0 0 452.971 4.611 20 0 JJADRN COCCOc1cc(C)ccc1CNC(=O)CSc1cc(C)c(Br)cc1C ZINC001435471473 1064777003 /nfs/dbraw/zinc/77/70/03/1064777003.db2.gz VICGHSZKPVZHKH-UHFFFAOYSA-N 0 0 452.414 4.808 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C)C(C)C ZINC001359993411 1064777188 /nfs/dbraw/zinc/77/71/88/1064777188.db2.gz UJWCYRUJWYJFGC-ACRUOGEOSA-N 0 0 463.667 4.894 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(N2CCOCC2)CC1)C(C)C ZINC001359993537 1064777272 /nfs/dbraw/zinc/77/72/72/1064777272.db2.gz WWDIJMOBMYNLBA-UHFFFAOYSA-N 0 0 496.483 4.900 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)C1CCCCC1 ZINC001435472313 1064777383 /nfs/dbraw/zinc/77/73/83/1064777383.db2.gz RYXCYNSTEUZAGI-OAQYLSRUSA-N 0 0 452.382 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC001435472590 1064777469 /nfs/dbraw/zinc/77/74/69/1064777469.db2.gz ARJWGWYDALUVCS-NSHDSACASA-N 0 0 453.711 4.933 20 0 JJADRN CC(C)CN(c1nnc(CSc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1)C(C)C ZINC001359993578 1064777754 /nfs/dbraw/zinc/77/77/54/1064777754.db2.gz YOASTPADNYAQEQ-UHFFFAOYSA-N 0 0 485.119 4.919 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C1CCCCC1 ZINC001435472873 1064778168 /nfs/dbraw/zinc/77/81/68/1064778168.db2.gz VKUXSPBVTJRWQG-FQEVSTJZSA-N 0 0 459.999 4.960 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001359994815 1064778253 /nfs/dbraw/zinc/77/82/53/1064778253.db2.gz GUHASULWTZDFPH-KBPBESRZSA-N 0 0 455.049 4.727 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359993763 1064778269 /nfs/dbraw/zinc/77/82/69/1064778269.db2.gz VTDZELGFWAXMIU-QWRGUYRKSA-N 0 0 459.456 4.669 20 0 JJADRN CC(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359994863 1064778599 /nfs/dbraw/zinc/77/85/99/1064778599.db2.gz JGNJLACTEXWENJ-UHFFFAOYSA-N 0 0 459.310 4.711 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)c1 ZINC001435474356 1064778671 /nfs/dbraw/zinc/77/86/71/1064778671.db2.gz GDJTYJMZGUTICF-UHFFFAOYSA-N 0 0 459.550 4.865 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)Sc3ccccc32)c1)c1ccccc1 ZINC001435473534 1064778708 /nfs/dbraw/zinc/77/87/08/1064778708.db2.gz ISCYPLXABZWPLR-MSOLQXFVSA-N 0 0 452.601 4.867 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c2c1CCC2 ZINC001435475299 1064779148 /nfs/dbraw/zinc/77/91/48/1064779148.db2.gz ZVCZBGZGRBHCPL-HNNXBMFYSA-N 0 0 456.359 4.932 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359995064 1064779077 /nfs/dbraw/zinc/77/90/77/1064779077.db2.gz SYSJFRVFSBAOCI-MRXNPFEDSA-N 0 0 459.944 4.802 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001359995057 1064779105 /nfs/dbraw/zinc/77/91/05/1064779105.db2.gz SRCAVEGEDKAXBE-IBGZPJMESA-N 0 0 471.621 4.879 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001359995008 1064779240 /nfs/dbraw/zinc/77/92/40/1064779240.db2.gz QBVHKIKAUUFPLB-HXUWFJFHSA-N 0 0 472.431 4.920 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001359995111 1064779627 /nfs/dbraw/zinc/77/96/27/1064779627.db2.gz WAWXMZNVGYBXQB-PEGYKEAPSA-N 0 0 478.460 4.637 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001359995110 1064779767 /nfs/dbraw/zinc/77/97/67/1064779767.db2.gz WAWXMZNVGYBXQB-MHTXLSKPSA-N 0 0 478.460 4.637 20 0 JJADRN CC(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001359995199 1064779799 /nfs/dbraw/zinc/77/97/99/1064779799.db2.gz BMTDDURFZJXWSX-CVEARBPZSA-N 0 0 455.594 4.860 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(c2nccs2)CC1 ZINC001359995223 1064780316 /nfs/dbraw/zinc/78/03/16/1064780316.db2.gz CLNXDRHPSUREEV-UHFFFAOYSA-N 0 0 467.462 4.598 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359995436 1064780551 /nfs/dbraw/zinc/78/05/51/1064780551.db2.gz RFNOTCQACIXZCQ-UHFFFAOYSA-N 0 0 480.426 4.586 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(Br)C1 ZINC001359995471 1064780607 /nfs/dbraw/zinc/78/06/07/1064780607.db2.gz UDHHTGSZMNUURW-UHFFFAOYSA-N 0 0 458.173 4.992 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001359995344 1064780623 /nfs/dbraw/zinc/78/06/23/1064780623.db2.gz LBWRCGDTHOKUBR-NRFANRHFSA-N 0 0 477.447 4.918 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359995332 1064780638 /nfs/dbraw/zinc/78/06/38/1064780638.db2.gz KJTMSXBPNRKULC-CQSZACIVSA-N 0 0 467.717 4.785 20 0 JJADRN COC[C@@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001435478322 1064781125 /nfs/dbraw/zinc/78/11/25/1064781125.db2.gz WTWXHQTUVVQXRJ-HHHXNRCGSA-N 0 0 452.595 4.819 20 0 JJADRN Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC[C@H]2CCOC2)c1 ZINC001435478303 1064781198 /nfs/dbraw/zinc/78/11/98/1064781198.db2.gz VYYTVDOFXLOERB-SFHVURJKSA-N 0 0 454.954 4.968 20 0 JJADRN COC[C@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001435478323 1064781212 /nfs/dbraw/zinc/78/12/12/1064781212.db2.gz WTWXHQTUVVQXRJ-MHZLTWQESA-N 0 0 452.595 4.819 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001359995544 1064781144 /nfs/dbraw/zinc/78/11/44/1064781144.db2.gz XVQXJBUJPIHHHT-GOSISDBHSA-N 0 0 488.474 4.839 20 0 JJADRN O=C(NCCOc1ccc(F)c(F)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001359996646 1064781602 /nfs/dbraw/zinc/78/16/02/1064781602.db2.gz BNKKTXSSXDUHBS-UHFFFAOYSA-N 0 0 452.288 4.755 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3cccc(F)c3)n2)c(C)c1 ZINC001359996275 1064781719 /nfs/dbraw/zinc/78/17/19/1064781719.db2.gz PQBHMXJQMRNDTR-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001359996173 1064781732 /nfs/dbraw/zinc/78/17/32/1064781732.db2.gz NWIKHDZOAYKMPK-LJQANCHMSA-N 0 0 457.914 4.820 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001359996172 1064781747 /nfs/dbraw/zinc/78/17/47/1064781747.db2.gz NWIKHDZOAYKMPK-IBGZPJMESA-N 0 0 457.914 4.820 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001359996273 1064781762 /nfs/dbraw/zinc/78/17/62/1064781762.db2.gz PQBBPJFNFNBPHB-KXBFYZLASA-N 0 0 452.498 4.630 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2c(C)cc(C)c(Br)c2C)c1 ZINC001435479032 1064781620 /nfs/dbraw/zinc/78/16/20/1064781620.db2.gz RGUMBZDTQAEVCP-CQSZACIVSA-N 0 0 453.402 4.703 20 0 JJADRN COc1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c(C)c1 ZINC001435482285 1064782905 /nfs/dbraw/zinc/78/29/05/1064782905.db2.gz HROBDYVKYUEMPY-UHFFFAOYSA-N 0 0 450.103 4.845 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@@H](C)N4CCOCC4)c3)s2)c(F)c1 ZINC001359997313 1064783012 /nfs/dbraw/zinc/78/30/12/1064783012.db2.gz VLKWVWAQCKMBRL-MRXNPFEDSA-N 0 0 455.555 4.912 20 0 JJADRN CC[C@@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)C(=O)OC(C)(C)C ZINC001435482892 1064783342 /nfs/dbraw/zinc/78/33/42/1064783342.db2.gz VSACOYGEAVUOIA-OAHLLOKOSA-N 0 0 454.951 4.951 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001359997863 1064783747 /nfs/dbraw/zinc/78/37/47/1064783747.db2.gz FYEKJSQDAVACLR-UHFFFAOYSA-N 0 0 480.613 4.997 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)nn1-c1cccc(Cl)c1 ZINC001359998010 1064783858 /nfs/dbraw/zinc/78/38/58/1064783858.db2.gz BLPLCECTJFHORY-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3Br)CCC(=O)N2C)cc1 ZINC001435484317 1064784273 /nfs/dbraw/zinc/78/42/73/1064784273.db2.gz NSIODVKXRVBWHU-HNAYVOBHSA-N 0 0 451.748 4.659 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3Br)CCC(=O)N2C)cc1 ZINC001435484313 1064784288 /nfs/dbraw/zinc/78/42/88/1064784288.db2.gz NSIODVKXRVBWHU-BEFAXECRSA-N 0 0 451.748 4.659 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CSC[C@H]3C(=O)Nc3ccccc3F)cs2)cc1 ZINC001359998314 1064784423 /nfs/dbraw/zinc/78/44/23/1064784423.db2.gz FTNCOFNJSLSIKY-FQEVSTJZSA-N 0 0 455.580 4.594 20 0 JJADRN CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001359998903 1064784754 /nfs/dbraw/zinc/78/47/54/1064784754.db2.gz JOJYXVWMGYGWBX-AWEZNQCLSA-N 0 0 453.391 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NCCOc2ccc(F)c(F)c2)CC1 ZINC001359998784 1064784898 /nfs/dbraw/zinc/78/48/98/1064784898.db2.gz IRDOXJTXOYHMEA-GOSISDBHSA-N 0 0 452.542 4.667 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001359999307 1064785327 /nfs/dbraw/zinc/78/53/27/1064785327.db2.gz SOCGFWRDTDHQJG-LJQANCHMSA-N 0 0 453.589 4.589 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC001359999226 1064785355 /nfs/dbraw/zinc/78/53/55/1064785355.db2.gz RPFJDAKVAQTIRA-QFIPXVFZSA-N 0 0 454.592 4.677 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Br)c(F)cc2C)c(C)c1 ZINC001359999752 1064785848 /nfs/dbraw/zinc/78/58/48/1064785848.db2.gz YAGQTLFSOBKLME-SFHVURJKSA-N 0 0 451.361 4.667 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)CSc3cccc(Br)c3)c2C(N)=O)C1 ZINC001435487604 1064786068 /nfs/dbraw/zinc/78/60/68/1064786068.db2.gz YVEYMHSVJMWTCJ-UHFFFAOYSA-N 0 0 453.427 4.855 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2ccc(C)cc2Oc2ccccc2)C1 ZINC001435488997 1064786459 /nfs/dbraw/zinc/78/64/59/1064786459.db2.gz LHRJKYMPUJXNHY-LVXARBLLSA-N 0 0 454.567 4.818 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360001089 1064786974 /nfs/dbraw/zinc/78/69/74/1064786974.db2.gz DVAUPDHLKPUPKO-MRXNPFEDSA-N 0 0 457.541 4.747 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360000992 1064787041 /nfs/dbraw/zinc/78/70/41/1064787041.db2.gz BQFYFKIKIUQKLT-SFHVURJKSA-N 0 0 489.583 4.596 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001360001617 1064787589 /nfs/dbraw/zinc/78/75/89/1064787589.db2.gz XBUOVDQILMWQSD-LJQANCHMSA-N 0 0 475.609 4.703 20 0 JJADRN CC(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360001439 1064787605 /nfs/dbraw/zinc/78/76/05/1064787605.db2.gz OSFLBVMYEHQKGR-QZTJIDSGSA-N 0 0 471.593 4.647 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001360001404 1064787674 /nfs/dbraw/zinc/78/76/74/1064787674.db2.gz NKCZMLAQRSQQJY-UHFFFAOYSA-N 0 0 475.584 4.890 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc(C)cc(Br)c3o2)cc1 ZINC001360001790 1064788023 /nfs/dbraw/zinc/78/80/23/1064788023.db2.gz CEDWQUQOYTXDPY-QGZVFWFLSA-N 0 0 459.365 4.966 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001435493106 1064788057 /nfs/dbraw/zinc/78/80/57/1064788057.db2.gz MAGUHYJENUPCKZ-GOSISDBHSA-N 0 0 455.908 4.942 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2(Cc3ccccc3Br)CC2)cc1 ZINC001360001818 1064788108 /nfs/dbraw/zinc/78/81/08/1064788108.db2.gz CMIFFWKSXHIKQG-LJQANCHMSA-N 0 0 459.409 4.620 20 0 JJADRN CN(CCC1CCOCC1)C(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001435494468 1064788646 /nfs/dbraw/zinc/78/86/46/1064788646.db2.gz HZFHNUHIJPCWKM-UHFFFAOYSA-N 0 0 457.621 4.572 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC001360002640 1064788768 /nfs/dbraw/zinc/78/87/68/1064788768.db2.gz NBFXYDRQDFLRSG-UHFFFAOYSA-N 0 0 455.486 4.829 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 ZINC001435495251 1064788918 /nfs/dbraw/zinc/78/89/18/1064788918.db2.gz JRTMIVCNEJMHLX-UHFFFAOYSA-N 0 0 457.284 4.852 20 0 JJADRN CC(C)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001360003120 1064789017 /nfs/dbraw/zinc/78/90/17/1064789017.db2.gz GUDDRXQUCSZEAD-UHFFFAOYSA-N 0 0 458.701 4.663 20 0 JJADRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Cl)c(I)c1 ZINC001435494924 1064789031 /nfs/dbraw/zinc/78/90/31/1064789031.db2.gz FVDHDXABAHTWFL-SNVBAGLBSA-N 0 0 456.736 4.915 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)ccc1-n1cccn1 ZINC001435495064 1064789076 /nfs/dbraw/zinc/78/90/76/1064789076.db2.gz GXQQOXCBBMGKHA-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(-c3c(F)cccc3F)c2)cc1 ZINC001360003189 1064789109 /nfs/dbraw/zinc/78/91/09/1064789109.db2.gz RFSSRVMAMMFLEZ-OAQYLSRUSA-N 0 0 454.498 4.794 20 0 JJADRN COc1ncc(/C=C/C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)cn1 ZINC001435496740 1064789958 /nfs/dbraw/zinc/78/99/58/1064789958.db2.gz GZZXXBDYBYPIRT-IDVQTMNDSA-N 0 0 459.369 4.570 20 0 JJADRN CC(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004232 1064790130 /nfs/dbraw/zinc/79/01/30/1064790130.db2.gz DVLKTGFDVCKEIQ-OALUTQOASA-N 0 0 475.609 4.782 20 0 JJADRN CC(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004237 1064790268 /nfs/dbraw/zinc/79/02/68/1064790268.db2.gz DVLKTGFDVCKEIQ-RTBURBONSA-N 0 0 475.609 4.782 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)Cn1ccc(C(F)F)n1 ZINC001435497983 1064790731 /nfs/dbraw/zinc/79/07/31/1064790731.db2.gz PFXXFRJDLGIYRA-JTQLQIEISA-N 0 0 455.328 4.893 20 0 JJADRN COc1cnc(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)c(F)c1 ZINC001435498737 1064791128 /nfs/dbraw/zinc/79/11/28/1064791128.db2.gz QWICYEBDBUJPMJ-JTQLQIEISA-N 0 0 450.333 4.915 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360004702 1064791159 /nfs/dbraw/zinc/79/11/59/1064791159.db2.gz QTWOIQOZCDUYHO-UHFFFAOYSA-N 0 0 459.310 4.974 20 0 JJADRN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001435500277 1064791270 /nfs/dbraw/zinc/79/12/70/1064791270.db2.gz PPLNXPBWODZSBV-UHFFFAOYSA-N 0 0 459.898 4.833 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004678 1064791315 /nfs/dbraw/zinc/79/13/15/1064791315.db2.gz QBDVATVHEADDMS-RTBURBONSA-N 0 0 475.609 4.782 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC001435501275 1064791808 /nfs/dbraw/zinc/79/18/08/1064791808.db2.gz SKNJQZHAEAKFIJ-UHFFFAOYSA-N 0 0 459.340 4.500 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001360004762 1064791868 /nfs/dbraw/zinc/79/18/68/1064791868.db2.gz SHEWWJUKKLWJED-UHFFFAOYSA-N 0 0 459.953 4.748 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360005876 1064792984 /nfs/dbraw/zinc/79/29/84/1064792984.db2.gz FMGTWHRPKOBEFP-OAHLLOKOSA-N 0 0 461.985 4.953 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 ZINC001360006539 1064793369 /nfs/dbraw/zinc/79/33/69/1064793369.db2.gz QWWKSZADAKULFP-QHCPKHFHSA-N 0 0 493.656 4.887 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)c2)n1 ZINC001435505693 1064793837 /nfs/dbraw/zinc/79/38/37/1064793837.db2.gz PJSJIDIEBHOQHV-SFHVURJKSA-N 0 0 453.564 4.774 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC001435508111 1064795171 /nfs/dbraw/zinc/79/51/71/1064795171.db2.gz SNVMQVRFOVZAIQ-GOSISDBHSA-N 0 0 454.548 4.698 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)Nc2cc(I)ccc2Cl)cc1 ZINC001435509171 1064795639 /nfs/dbraw/zinc/79/56/39/1064795639.db2.gz GDQDYCWZDGUFMA-UHFFFAOYSA-N 0 0 457.695 4.945 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001435509550 1064796136 /nfs/dbraw/zinc/79/61/36/1064796136.db2.gz IEPZPNADOGUAKZ-BDAKNGLRSA-N 0 0 450.052 4.766 20 0 JJADRN C[C@H](Sc1ccccc1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21)C(N)=O ZINC001435511996 1064797632 /nfs/dbraw/zinc/79/76/32/1064797632.db2.gz ABXKVEYAIZIFKV-AWEZNQCLSA-N 0 0 459.409 4.887 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCN(c3cccs3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435512856 1064798132 /nfs/dbraw/zinc/79/81/32/1064798132.db2.gz GMKAGPBRTPYMRQ-UXHICEINSA-N 0 0 476.042 4.701 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCN(c2cccs2)CC1 ZINC001435514150 1064798619 /nfs/dbraw/zinc/79/86/19/1064798619.db2.gz OKAMIUDAFXONCP-UHFFFAOYSA-N 0 0 454.440 4.587 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001435513941 1064798832 /nfs/dbraw/zinc/79/88/32/1064798832.db2.gz ONUHSCSKIROZFU-UHFFFAOYSA-N 0 0 452.551 4.580 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001360008935 1064799139 /nfs/dbraw/zinc/79/91/39/1064799139.db2.gz BEFJZQWCPPYLTI-XHDPSFHLSA-N 0 0 458.830 4.823 20 0 JJADRN Cc1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)ccc1NC(=O)c1cccs1 ZINC001435517288 1064800126 /nfs/dbraw/zinc/80/01/26/1064800126.db2.gz TZNSLBQNFXLJSV-UHFFFAOYSA-N 0 0 450.347 4.819 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC001435516962 1064800213 /nfs/dbraw/zinc/80/02/13/1064800213.db2.gz WBAYXLMQLYTNSG-UHFFFAOYSA-N 0 0 458.558 4.521 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cn(C)nc2-c2ccccn2)cc1Br ZINC001435517316 1064800955 /nfs/dbraw/zinc/80/09/55/1064800955.db2.gz UJYNGNWFHWHFGS-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(OC2CCCC2)nc1 ZINC001435518240 1064801675 /nfs/dbraw/zinc/80/16/75/1064801675.db2.gz ZNCMTWQYQKNVNI-LJQANCHMSA-N 0 0 451.350 4.614 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001435518261 1064801769 /nfs/dbraw/zinc/80/17/69/1064801769.db2.gz ZUHIUWYNIWTXRW-UVQUFPMPSA-N 0 0 457.361 4.957 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001435519664 1064802622 /nfs/dbraw/zinc/80/26/22/1064802622.db2.gz FFBKUKFXQNZUHH-UHFFFAOYSA-N 0 0 459.653 4.883 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)n1nnc(-c2ccccc2)n1 ZINC001435520105 1064803316 /nfs/dbraw/zinc/80/33/16/1064803316.db2.gz UPMIBAJDBHGAIE-OAQYLSRUSA-N 0 0 457.500 4.962 20 0 JJADRN Cc1ccc(SCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)cc1 ZINC001435520968 1064804002 /nfs/dbraw/zinc/80/40/02/1064804002.db2.gz YYJBWAFEVVGFOB-UHFFFAOYSA-N 0 0 458.649 4.775 20 0 JJADRN COC(=O)CCc1csc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 ZINC001435520830 1064804212 /nfs/dbraw/zinc/80/42/12/1064804212.db2.gz ZSZLPFFTQKDQJJ-UHFFFAOYSA-N 0 0 456.911 4.600 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H](C)Cc2ccccc2Br)c1 ZINC001435522798 1064805587 /nfs/dbraw/zinc/80/55/87/1064805587.db2.gz DDYNHDSMGMYGOB-LBPRGKRZSA-N 0 0 458.137 4.723 20 0 JJADRN Cc1cc(I)cc(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC001435523547 1064805669 /nfs/dbraw/zinc/80/56/69/1064805669.db2.gz AJBUCCVWJOHVBB-UHFFFAOYSA-N 0 0 459.331 4.839 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)c1nc(C(C)C)ncc1Br ZINC001435523451 1064805699 /nfs/dbraw/zinc/80/56/99/1064805699.db2.gz FQXOTWGQRIEWFC-CYBMUJFWSA-N 0 0 455.194 4.876 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC001435523344 1064805729 /nfs/dbraw/zinc/80/57/29/1064805729.db2.gz DJFXBVNXLIEUGN-SFHVURJKSA-N 0 0 456.384 4.686 20 0 JJADRN O=C(CCn1cc(Br)cn1)N(Cc1ccccc1Br)C1CCCC1 ZINC001435526212 1064808058 /nfs/dbraw/zinc/80/80/58/1064808058.db2.gz LONQYPVAMJHPEH-UHFFFAOYSA-N 0 0 455.194 4.770 20 0 JJADRN Cc1cc(-c2csc(NC(=O)C[C@H]3CSCCN3C(=O)OC(C)(C)C)n2)ccc1F ZINC001435526207 1064808097 /nfs/dbraw/zinc/80/80/97/1064808097.db2.gz LNYGCJNWUHPLRT-HNNXBMFYSA-N 0 0 451.589 4.939 20 0 JJADRN C[C@@H](C[C@@H]1CCOC1)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001435525169 1064808144 /nfs/dbraw/zinc/80/81/44/1064808144.db2.gz TYNHXQBLWSSJSW-IRXDYDNUSA-N 0 0 456.999 4.611 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001360012200 1064808180 /nfs/dbraw/zinc/80/81/80/1064808180.db2.gz QHCVBMUYAWJKEU-ASSNKEHSSA-N 0 0 455.386 4.845 20 0 JJADRN CCc1c(C(=O)N[C@H](CC)Cc2ccccc2Br)nnn1Cc1ccc(F)cc1 ZINC001435526679 1064808797 /nfs/dbraw/zinc/80/87/97/1064808797.db2.gz RRMXQCLNDDTNBF-GOSISDBHSA-N 0 0 459.363 4.542 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(Br)ccc1F ZINC001360012413 1064810113 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471.621 4.687 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1=O ZINC001360015283 1064813899 /nfs/dbraw/zinc/81/38/99/1064813899.db2.gz PEDULLJFQFSBMI-GBESFXJTSA-N 0 0 493.574 4.686 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n2)cc1F ZINC001435533953 1064814726 /nfs/dbraw/zinc/81/47/26/1064814726.db2.gz AJFJPHJTASXSAH-JTQLQIEISA-N 0 0 457.355 4.878 20 0 JJADRN Cc1ccc(CNC(=O)CSc2ccc(Br)cc2C)c(O[C@@H]2CCOC2)c1 ZINC001435535279 1064815185 /nfs/dbraw/zinc/81/51/85/1064815185.db2.gz IGVWBRJEXBWSIZ-GOSISDBHSA-N 0 0 450.398 4.642 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NCCc3ccccc3OC(F)(F)F)cc2)c1 ZINC001435535767 1064815382 /nfs/dbraw/zinc/81/53/82/1064815382.db2.gz DUTWGVPLKIDGNE-UHFFFAOYSA-N 0 0 456.464 4.796 20 0 JJADRN CCC1(C(=O)N2CCc3cccc(Br)c3C2)CCN(C(=O)c2ccccc2)CC1 ZINC001435536589 1064815421 /nfs/dbraw/zinc/81/54/21/1064815421.db2.gz NQNWPZJCPJBERF-UHFFFAOYSA-N 0 0 455.396 4.666 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)[C@@H](C)C1=O ZINC001360016253 1064815349 /nfs/dbraw/zinc/81/53/49/1064815349.db2.gz YJUDPSYIONAVDA-VQTJNVASSA-N 0 0 471.621 4.831 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(Br)cc3cccnc32)c(OC(F)F)c1 ZINC001360016244 1064815432 /nfs/dbraw/zinc/81/54/32/1064815432.db2.gz MDDJZUCGJPGRDN-UHFFFAOYSA-N 0 0 451.223 4.638 20 0 JJADRN CCCC1(CNC(=O)c2cn(C)nc2[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCC1 ZINC001435536824 1064816145 /nfs/dbraw/zinc/81/61/45/1064816145.db2.gz GWNXIXSDBLNRHW-OAQYLSRUSA-N 0 0 452.599 4.637 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(F)(F)F)[C@H](C)C1=O ZINC001360017053 1064816109 /nfs/dbraw/zinc/81/61/09/1064816109.db2.gz BQJVJIKKOXDHBK-OAHLLOKOSA-N 0 0 469.577 4.531 20 0 JJADRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001360016396 1064816188 /nfs/dbraw/zinc/81/61/88/1064816188.db2.gz OIRSNZALNMGIOI-LBPRGKRZSA-N 0 0 453.308 4.626 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001435538768 1064816834 /nfs/dbraw/zinc/81/68/34/1064816834.db2.gz GOPZEQKEQNEVHO-IBGZPJMESA-N 0 0 456.583 4.708 20 0 JJADRN C[C@H](NC(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435539596 1064816920 /nfs/dbraw/zinc/81/69/20/1064816920.db2.gz HGVPHVCDERFGSC-WEHUKYGOSA-N 0 0 455.337 4.999 20 0 JJADRN C[C@H](NC(=O)CCCc1c(F)cccc1F)c1nc(-c2ccc(Br)cc2)no1 ZINC001435538513 1064816942 /nfs/dbraw/zinc/81/69/42/1064816942.db2.gz BPSPWTQHBPADIR-LBPRGKRZSA-N 0 0 450.283 4.977 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2C[C@@H]2C)[C@@H](C)C1=O ZINC001360017376 1064817817 /nfs/dbraw/zinc/81/78/17/1064817817.db2.gz DBLISXMRLYNTLG-JYJNAYRXSA-N 0 0 450.414 4.601 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CCCS2)[C@H](C)C1=O ZINC001360017390 1064817873 /nfs/dbraw/zinc/81/78/73/1064817873.db2.gz DDXMQPIMOKBLSV-MWTRTKDXSA-N 0 0 480.053 4.716 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2C[C@@H]2C)[C@H](C)C1=O ZINC001360017385 1064817880 /nfs/dbraw/zinc/81/78/80/1064817880.db2.gz DBLISXMRLYNTLG-XHSDSOJGSA-N 0 0 450.414 4.601 20 0 JJADRN C[C@H](NC(=O)CCc1cncc2ccccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001435540934 1064818293 /nfs/dbraw/zinc/81/82/93/1064818293.db2.gz YGDSVGCZXXSJGI-AWEZNQCLSA-N 0 0 451.324 4.857 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)c1nc(-c3ccc(Br)cc3)no1)CCC2 ZINC001435540621 1064818329 /nfs/dbraw/zinc/81/83/29/1064818329.db2.gz SSHMJAWMKYKFRN-FZKQIMNGSA-N 0 0 456.340 4.805 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(C)(F)F)[C@H](C)C1=O ZINC001360018318 1064819386 /nfs/dbraw/zinc/81/93/86/1064819386.db2.gz NSDCRCXEYYBBLO-IAGOWNOFSA-N 0 0 479.641 4.870 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(C)(F)F)[C@@H](C)C1=O ZINC001360018330 1064819442 /nfs/dbraw/zinc/81/94/42/1064819442.db2.gz NSDCRCXEYYBBLO-SJORKVTESA-N 0 0 479.641 4.870 20 0 JJADRN CC1(C)[C@H](C(=O)Nc2ncc(Br)cc2I)[C@H]1c1ccccc1 ZINC001435546319 1064821301 /nfs/dbraw/zinc/82/13/01/1064821301.db2.gz IXODBOSJRDTOLB-KGLIPLIRSA-N 0 0 471.136 4.827 20 0 JJADRN CCc1c(C(=O)Nc2c(C)ccc(Cl)c2C(=O)OC)nnn1-c1ccc(OC(C)C)cc1 ZINC001435547325 1064822110 /nfs/dbraw/zinc/82/21/10/1064822110.db2.gz VLXZZCDNHJCUBB-UHFFFAOYSA-N 0 0 456.930 4.618 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2cc(F)cc(F)c2)c1Cl ZINC001435547006 1064822264 /nfs/dbraw/zinc/82/22/64/1064822264.db2.gz LMXZQSWBAVDUNW-SNVBAGLBSA-N 0 0 453.290 4.610 20 0 JJADRN CC(C)Sc1ccccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001435548187 1064823015 /nfs/dbraw/zinc/82/30/15/1064823015.db2.gz BXSLFPKDRMDBEL-CQSZACIVSA-N 0 0 456.427 4.998 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1F ZINC001435549855 1064823674 /nfs/dbraw/zinc/82/36/74/1064823674.db2.gz AAMNYRXNNFFZCM-OAQYLSRUSA-N 0 0 450.551 4.657 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1 ZINC001360021021 1064824453 /nfs/dbraw/zinc/82/44/53/1064824453.db2.gz UURLLLSETXCFSC-DFBJGRDBSA-N 0 0 457.530 4.854 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)CN(C(=O)c3ccccc3)c3ccccc3)n2)ccc1F ZINC001435551073 1064824573 /nfs/dbraw/zinc/82/45/73/1064824573.db2.gz VPEINGJCWXAOSE-GOSISDBHSA-N 0 0 458.493 4.708 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)CC1=O ZINC001435552626 1064825965 /nfs/dbraw/zinc/82/59/65/1064825965.db2.gz OOZFMYMRQRDYAR-UNMCSNQZSA-N 0 0 452.595 4.876 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 ZINC001360023400 1064826833 /nfs/dbraw/zinc/82/68/33/1064826833.db2.gz RUHMJANKGPQRAL-UHFFFAOYSA-N 0 0 451.441 4.978 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2CC2CC(C)(C)C2)[C@@H](C)C1=O ZINC001360022097 1064826865 /nfs/dbraw/zinc/82/68/65/1064826865.db2.gz ZWNIYNHEVJOVCW-KRWDZBQOSA-N 0 0 488.474 4.837 20 0 JJADRN CC(C)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2Cl)N(C)C)[C@H](C)C1=O ZINC001360025870 1064827480 /nfs/dbraw/zinc/82/74/80/1064827480.db2.gz XIFJPVCXLSFQIT-AUSIDOKSSA-N 0 0 487.092 4.585 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)nnn1CCOc1ccc(F)cc1 ZINC001435554700 1064827559 /nfs/dbraw/zinc/82/75/59/1064827559.db2.gz IEAQGDABEYHPGU-GOSISDBHSA-N 0 0 451.546 4.744 20 0 JJADRN CC(C)CN1CCN(c2nnc(C3CCCC3)n2CC(C)(C)c2ccccc2F)[C@@H](C)C1=O ZINC001360025321 1064827703 /nfs/dbraw/zinc/82/77/03/1064827703.db2.gz QNURNCQMZIHMIQ-IBGZPJMESA-N 0 0 455.622 4.746 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC001435556841 1064829137 /nfs/dbraw/zinc/82/91/37/1064829137.db2.gz ILQQCJNPDIFSKF-UHFFFAOYSA-N 0 0 454.567 4.518 20 0 JJADRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC001435556545 1064829165 /nfs/dbraw/zinc/82/91/65/1064829165.db2.gz HPKJDFHUOKLUTR-OOGFAMDPSA-N 0 0 450.579 4.883 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N(C)Cc3cc(Br)cn3C)c2C(F)(F)F)c1 ZINC001435557400 1064829174 /nfs/dbraw/zinc/82/91/74/1064829174.db2.gz PGICIQYWRVOROG-UHFFFAOYSA-N 0 0 455.278 4.573 20 0 JJADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1 ZINC001435558409 1064830723 /nfs/dbraw/zinc/83/07/23/1064830723.db2.gz MGSAEISCBGUDOF-UHFFFAOYSA-N 0 0 458.697 4.582 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)CC2=O)cc1 ZINC001435558444 1064830731 /nfs/dbraw/zinc/83/07/31/1064830731.db2.gz MJOLDVWOGUNJQB-AWEZNQCLSA-N 0 0 457.304 4.827 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccs2)[C@@H](C)C1=O ZINC001360029108 1064830959 /nfs/dbraw/zinc/83/09/59/1064830959.db2.gz GVHCNAJSTNJASU-IBGZPJMESA-N 0 0 457.688 4.743 20 0 JJADRN CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360030273 1064832029 /nfs/dbraw/zinc/83/20/29/1064832029.db2.gz GXXCWKBMTMKJQO-UNMCSNQZSA-N 0 0 460.066 4.506 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(OCc3ccccc3F)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435560372 1064832191 /nfs/dbraw/zinc/83/21/91/1064832191.db2.gz XCPUHSJWYAUKIA-FCHUYYIVSA-N 0 0 458.530 4.597 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCC2(C)C)[C@@H](C)C1=O ZINC001360030936 1064832837 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CC(C)c1ccc(C[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC001435569819 1064839518 /nfs/dbraw/zinc/83/95/18/1064839518.db2.gz RUFIVVOGUCSNED-HBMCJLEFSA-N 0 0 456.652 4.838 20 0 JJADRN CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc1 ZINC001435569731 1064839543 /nfs/dbraw/zinc/83/95/43/1064839543.db2.gz QQUXVTJMJDHLKA-QGZVFWFLSA-N 0 0 451.032 4.853 20 0 JJADRN CC(C)c1ccc(C[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC001435569827 1064840530 /nfs/dbraw/zinc/84/05/30/1064840530.db2.gz RUFIVVOGUCSNED-QHAWAJNXSA-N 0 0 456.652 4.838 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001435571473 1064841144 /nfs/dbraw/zinc/84/11/44/1064841144.db2.gz DAOLXAMBSNVELH-UHFFFAOYSA-N 0 0 459.290 4.839 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2ccccc2OCCOc2ccccc2)nc2ccccc21 ZINC001435573541 1064842784 /nfs/dbraw/zinc/84/27/84/1064842784.db2.gz PTQHPNGOAMZHPS-UHFFFAOYSA-N 0 0 455.514 4.695 20 0 JJADRN O=C(O[C@H](c1nccs1)c1ccccc1)c1cc(F)c(F)cc1I ZINC001435573100 1064842876 /nfs/dbraw/zinc/84/28/76/1064842876.db2.gz QKIXRENXBFEURS-HNNXBMFYSA-N 0 0 457.239 4.972 20 0 JJADRN CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360036015 1064843287 /nfs/dbraw/zinc/84/32/87/1064843287.db2.gz ZTKSCOPEGNUWLH-JOCHJYFZSA-N 0 0 450.514 4.526 20 0 JJADRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2ccc(I)o2)c1 ZINC001435574176 1064843563 /nfs/dbraw/zinc/84/35/63/1064843563.db2.gz UWLWIBNWDDGQTJ-TWGQIWQCSA-N 0 0 458.683 4.928 20 0 JJADRN CC(=O)N1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc21 ZINC001435575569 1064844308 /nfs/dbraw/zinc/84/43/08/1064844308.db2.gz RIBABFOPIRREKS-HXUWFJFHSA-N 0 0 455.967 4.532 20 0 JJADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001435576540 1064844940 /nfs/dbraw/zinc/84/49/40/1064844940.db2.gz DNHPLHRVHLHHQP-WBVHZDCISA-N 0 0 452.860 4.537 20 0 JJADRN Cc1cc(C2(C(=O)N3CC(=O)N(Cc4ccccc4)C3)CCCCC2)ccc1Br ZINC001435576283 1064844958 /nfs/dbraw/zinc/84/49/58/1064844958.db2.gz XYJYBCUBNDXWBV-UHFFFAOYSA-N 0 0 455.396 4.788 20 0 JJADRN O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1cccn(CC(F)(F)F)c1=O ZINC001435577445 1064845024 /nfs/dbraw/zinc/84/50/24/1064845024.db2.gz WKMUFJIDBGPBJF-UHFFFAOYSA-N 0 0 450.844 4.824 20 0 JJADRN CCN(C(=O)[C@@H]1COc2ccccc2O1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001360037168 1064845294 /nfs/dbraw/zinc/84/52/94/1064845294.db2.gz BKKRUHLHRUCHQB-FCHUYYIVSA-N 0 0 453.336 4.622 20 0 JJADRN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001435577475 1064845842 /nfs/dbraw/zinc/84/58/42/1064845842.db2.gz LFYRPWLQTBENER-IVZQSRNASA-N 0 0 450.366 4.520 20 0 JJADRN CCN(C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001360037379 1064845988 /nfs/dbraw/zinc/84/59/88/1064845988.db2.gz ITAXZSVXSBUREH-HXOBKFHXSA-N 0 0 456.995 4.880 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCC(C)(c4ccccc4)CC3)cc2)cc1 ZINC001435579501 1064846449 /nfs/dbraw/zinc/84/64/49/1064846449.db2.gz IQIZFPCBRIQXQG-UHFFFAOYSA-N 0 0 456.586 4.748 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)c(OC)c1OC ZINC001435579913 1064846500 /nfs/dbraw/zinc/84/65/00/1064846500.db2.gz GOSYULFZZMITDQ-UHFFFAOYSA-N 0 0 450.207 4.626 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)CC2)c1 ZINC001435581044 1064847156 /nfs/dbraw/zinc/84/71/56/1064847156.db2.gz KJGOLXOXGWBGDN-UHFFFAOYSA-N 0 0 456.583 4.547 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001435581133 1064847209 /nfs/dbraw/zinc/84/72/09/1064847209.db2.gz VQOQKBSBHMYPCG-HNNXBMFYSA-N 0 0 452.370 4.540 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC001435580802 1064847288 /nfs/dbraw/zinc/84/72/88/1064847288.db2.gz GOMVICMWIMYZHY-QGZVFWFLSA-N 0 0 458.462 4.570 20 0 JJADRN CCN(C(=O)Cc1cccc(S(=O)(=O)CC)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001360037716 1064847331 /nfs/dbraw/zinc/84/73/31/1064847331.db2.gz RKGOSQZJMDLANU-XMMPIXPASA-N 0 0 456.995 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001435581212 1064847858 /nfs/dbraw/zinc/84/78/58/1064847858.db2.gz XQAALHLIULPRLW-VOJFVSQTSA-N 0 0 479.293 4.933 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001435581188 1064847878 /nfs/dbraw/zinc/84/78/78/1064847878.db2.gz XGDRLNMWZNFTOB-UHFFFAOYSA-N 0 0 453.255 4.591 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2nnn(-c3ccc(OC)cc3)c2C)cc1 ZINC001360037831 1064848039 /nfs/dbraw/zinc/84/80/39/1064848039.db2.gz VYYQFTCCQORWHN-SANMLTNESA-N 0 0 455.562 4.793 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cncc3ccccc32)C1 ZINC001435584824 1064849531 /nfs/dbraw/zinc/84/95/31/1064849531.db2.gz SPLREMWDBPAKMQ-KRWDZBQOSA-N 0 0 452.352 4.797 20 0 JJADRN CC[C@H](C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(Br)cc1 ZINC001435585329 1064850502 /nfs/dbraw/zinc/85/05/02/1064850502.db2.gz FQVVHFUFJZNAIS-HOCLYGCPSA-N 0 0 453.739 4.657 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1ccccc1Br ZINC001435586499 1064851271 /nfs/dbraw/zinc/85/12/71/1064851271.db2.gz VCKVVXDODNGHAG-UHFFFAOYSA-N 0 0 456.134 4.961 20 0 JJADRN CCc1cc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc(Cl)n1 ZINC001360038844 1064851363 /nfs/dbraw/zinc/85/13/63/1064851363.db2.gz BWKFQAXJVZTPKG-MHECFPHRSA-N 0 0 456.030 4.923 20 0 JJADRN Cc1cc(=O)c(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435586397 1064851479 /nfs/dbraw/zinc/85/14/79/1064851479.db2.gz XHGGASYRMOEPQW-HIFRSBDPSA-N 0 0 459.443 4.847 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Oc1cc(Br)ccc1Cl ZINC001435588359 1064853468 /nfs/dbraw/zinc/85/34/68/1064853468.db2.gz UDQJDUUNUHSVIA-UHFFFAOYSA-N 0 0 452.153 4.915 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC001435588921 1064854406 /nfs/dbraw/zinc/85/44/06/1064854406.db2.gz CVJRVIQDQXPXMS-UHFFFAOYSA-N 0 0 453.757 4.907 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(C)c(Br)cc3C)c2)ccn1 ZINC001435588825 1064854416 /nfs/dbraw/zinc/85/44/16/1064854416.db2.gz BMNATBLJDPMRSP-UHFFFAOYSA-N 0 0 455.308 4.832 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)c3ccc(OCc4noc(C)n4)cc3)cc2)cc1 ZINC001435589294 1064854453 /nfs/dbraw/zinc/85/44/53/1064854453.db2.gz GOXSMOJELGOTLY-UHFFFAOYSA-N 0 0 459.502 4.730 20 0 JJADRN CCSCc1cc(C(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)no1 ZINC001360040210 1064855059 /nfs/dbraw/zinc/85/50/59/1064855059.db2.gz OPJIXLJOCZOBHR-MBSDFSHPSA-N 0 0 457.640 4.554 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(Oc4ccccc4C)cn3)c2)ccn1 ZINC001435589352 1064855094 /nfs/dbraw/zinc/85/50/94/1064855094.db2.gz HXYFCVIMGKCIMK-UHFFFAOYSA-N 0 0 455.470 4.948 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC001435589408 1064855263 /nfs/dbraw/zinc/85/52/63/1064855263.db2.gz WKYHJGAHJXZGNY-FQEVSTJZSA-N 0 0 455.308 4.623 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(-c2ccccn2)c1C ZINC001435589862 1064855322 /nfs/dbraw/zinc/85/53/22/1064855322.db2.gz YAJMRLOBTWOQQH-OAQYLSRUSA-N 0 0 453.336 4.806 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001360040544 1064856025 /nfs/dbraw/zinc/85/60/25/1064856025.db2.gz YURJYKCXJLMSQI-IEBWSBKVSA-N 0 0 490.446 4.668 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC001435591059 1064856803 /nfs/dbraw/zinc/85/68/03/1064856803.db2.gz DNXUYAACKWTDMB-GFCCVEGCSA-N 0 0 452.349 4.770 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Br)c1)c1cc(Br)cnc1Cl ZINC001435591853 1064857326 /nfs/dbraw/zinc/85/73/26/1064857326.db2.gz FPROIZSWGGHJQC-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001435592107 1064858079 /nfs/dbraw/zinc/85/80/79/1064858079.db2.gz SFOTYTHSPCYRFI-IBGZPJMESA-N 0 0 456.002 4.703 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC001435592353 1064858199 /nfs/dbraw/zinc/85/81/99/1064858199.db2.gz LQHODBGWJFKQMX-ZDUSSCGKSA-N 0 0 454.361 4.589 20 0 JJADRN CC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001435592655 1064858651 /nfs/dbraw/zinc/85/86/51/1064858651.db2.gz JSLWBZOFTPAKAR-DJPFJPOOSA-N 0 0 451.621 4.861 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccs2)CC1 ZINC001360042814 1064859067 /nfs/dbraw/zinc/85/90/67/1064859067.db2.gz BMNLINZOVFSDSL-NHCUHLMSSA-N 0 0 489.686 4.611 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001435593355 1064859505 /nfs/dbraw/zinc/85/95/05/1064859505.db2.gz OLYRWPUERUDKIZ-ILBGXUMGSA-N 0 0 457.534 4.580 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001360043138 1064859608 /nfs/dbraw/zinc/85/96/08/1064859608.db2.gz GJCBUWFMRMJKNW-JOCHJYFZSA-N 0 0 489.611 4.803 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360042957 1064859679 /nfs/dbraw/zinc/85/96/79/1064859679.db2.gz BKYQHXBPEPQKIW-UHFFFAOYSA-N 0 0 483.657 4.844 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1C(C)C ZINC001435594377 1064859931 /nfs/dbraw/zinc/85/99/31/1064859931.db2.gz MOAJOTCIWRYMDU-OAHLLOKOSA-N 0 0 453.605 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458.552 4.631 20 0 JJADRN CN(C)c1cc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)cc(Cl)n1 ZINC001435653684 1064910166 /nfs/dbraw/zinc/91/01/66/1064910166.db2.gz RBTLGIUPWUHLHZ-UHFFFAOYSA-N 0 0 451.777 4.863 20 0 JJADRN O=C(CCc1nc(-c2ccoc2)no1)Nc1nc(Cc2ccccc2Br)cs1 ZINC001435653240 1064910220 /nfs/dbraw/zinc/91/02/20/1064910220.db2.gz LAKYSNISLCSLSJ-UHFFFAOYSA-N 0 0 459.325 4.711 20 0 JJADRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(Cc4ccccc4Br)cs3)c12 ZINC001435653803 1064910404 /nfs/dbraw/zinc/91/04/04/1064910404.db2.gz OQLPSHAYBUEBFI-UHFFFAOYSA-N 0 0 456.369 4.647 20 0 JJADRN O=C(Cc1cccc(I)c1)Oc1ccc(-n2ncc3ccccc32)cc1 ZINC001435654349 1064910955 /nfs/dbraw/zinc/91/09/55/1064910955.db2.gz QXBHQWOMXUVOKE-UHFFFAOYSA-N 0 0 454.267 4.778 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2Br)cs1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001435654174 1064910980 /nfs/dbraw/zinc/91/09/80/1064910980.db2.gz WLEBXIHKDHAVQO-AEFFLSMTSA-N 0 0 462.413 4.616 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001435654367 1064911063 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KVWGJSGMBGKMAI-ZDUSSCGKSA-N 0 0 452.732 4.516 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001435656684 1064912866 /nfs/dbraw/zinc/91/28/66/1064912866.db2.gz ORTPEXZMSHTLIL-ZWKOTPCHSA-N 0 0 454.311 4.912 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N(CCC)CC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC001360067980 1064912989 /nfs/dbraw/zinc/91/29/89/1064912989.db2.gz JDJARPHCGZALKI-IBGZPJMESA-N 0 0 455.986 4.523 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N(CCC)CC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC001360067981 1064913015 /nfs/dbraw/zinc/91/30/15/1064913015.db2.gz JDJARPHCGZALKI-LJQANCHMSA-N 0 0 455.986 4.523 20 0 JJADRN CC(C)COCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001360067565 1064913024 /nfs/dbraw/zinc/91/30/24/1064913024.db2.gz ZFCSLWLFGUDCAZ-UHFFFAOYSA-N 0 0 483.613 4.669 20 0 JJADRN CC(C)COCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360069156 1064914223 /nfs/dbraw/zinc/91/42/23/1064914223.db2.gz DYZMQRFAOHDOCE-NRFANRHFSA-N 0 0 457.619 4.501 20 0 JJADRN Cn1cc([C@H](NC(=O)c2cnc(-c3ccccc3Br)s2)c2ccccc2)cn1 ZINC001435659795 1064914264 /nfs/dbraw/zinc/91/42/64/1064914264.db2.gz DINJQJZCPCNVRX-LJQANCHMSA-N 0 0 453.365 4.826 20 0 JJADRN CC(C)COCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001360069522 1064914783 /nfs/dbraw/zinc/91/47/83/1064914783.db2.gz MCXDIUAUMLNLRK-RTBURBONSA-N 0 0 477.447 4.633 20 0 JJADRN CN(C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001435660669 1064914822 /nfs/dbraw/zinc/91/48/22/1064914822.db2.gz MLLYGWGUARGTLZ-QGZVFWFLSA-N 0 0 459.917 4.915 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC001435660323 1064915005 /nfs/dbraw/zinc/91/50/05/1064915005.db2.gz RMPSZEQHUUDXIB-MRXNPFEDSA-N 0 0 450.526 4.781 20 0 JJADRN CC(C)COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001360069977 1064915444 /nfs/dbraw/zinc/91/54/44/1064915444.db2.gz BIYHAUHWVPUDEN-CZYKHXBRSA-N 0 0 475.678 4.690 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Nc3cnc(Br)c(C)c3)ccc21 ZINC001435661491 1064915394 /nfs/dbraw/zinc/91/53/94/1064915394.db2.gz CBGQIUHKLSQGJQ-UHFFFAOYSA-N 0 0 451.324 4.811 20 0 JJADRN CC(C)COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360070420 1064916133 /nfs/dbraw/zinc/91/61/33/1064916133.db2.gz IMWJGZFBOISQNE-YPAWHYETSA-N 0 0 477.694 4.938 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cn1)c1cccc(Br)c1 ZINC001435662777 1064916880 /nfs/dbraw/zinc/91/68/80/1064916880.db2.gz YCDLHKFUYIWGMF-HXUWFJFHSA-N 0 0 455.308 4.671 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(C)cc(Br)c1)c1cccc(Br)c1 ZINC001435663035 1064916967 /nfs/dbraw/zinc/91/69/67/1064916967.db2.gz NJEVJZGUZGAARG-MRXNPFEDSA-N 0 0 455.146 4.554 20 0 JJADRN CC(C)COCCCn1c(C2CCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360071155 1064917529 /nfs/dbraw/zinc/91/75/29/1064917529.db2.gz UXLXGHJVBWVANS-CTNGQTDRSA-N 0 0 463.667 4.738 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1sc(N(C)C)nc1Cl ZINC001435663503 1064917539 /nfs/dbraw/zinc/91/75/39/1064917539.db2.gz QGUOIZMNFYKMTF-UHFFFAOYSA-N 0 0 450.992 4.568 20 0 JJADRN C[C@@H](OC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1nc(C2CC2)cs1 ZINC001435663737 1064917565 /nfs/dbraw/zinc/91/75/65/1064917565.db2.gz GBZPWLOKQUQXFZ-LLVKDONJSA-N 0 0 458.399 4.640 20 0 JJADRN CC(C)CS(=O)(=O)CCC(=O)Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCC2 ZINC001435664669 1064917951 /nfs/dbraw/zinc/91/79/51/1064917951.db2.gz RZZJMEQLTAJMHU-UHFFFAOYSA-N 0 0 454.013 4.521 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1 ZINC001360072945 1064918038 /nfs/dbraw/zinc/91/80/38/1064918038.db2.gz UKHBIYMGVKJIQJ-UHFFFAOYSA-N 0 0 451.544 4.868 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2ccc(C(F)(F)F)nn2)c1 ZINC001435664900 1064918350 /nfs/dbraw/zinc/91/83/50/1064918350.db2.gz MFVYNJXQPDLNAV-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CC(C)COCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360073226 1064918454 /nfs/dbraw/zinc/91/84/54/1064918454.db2.gz HGJACHSIBASEEV-OAQYLSRUSA-N 0 0 489.636 4.564 20 0 JJADRN COc1ccc(Br)cc1C(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001435665903 1064919077 /nfs/dbraw/zinc/91/90/77/1064919077.db2.gz CREQMHGMPAARMB-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN COc1cc(C2(C(=O)N[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)CC2)ccc1C ZINC001435665707 1064919119 /nfs/dbraw/zinc/91/91/19/1064919119.db2.gz CFWZELUVBVMQMH-NFBKMPQASA-N 0 0 458.961 4.695 20 0 JJADRN CC(C)COCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CC2)C1 ZINC001360073938 1064919958 /nfs/dbraw/zinc/91/99/58/1064919958.db2.gz BGCVUYMEVZNGHZ-UHFFFAOYSA-N 0 0 470.658 4.834 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCCC1 ZINC001435666733 1064919955 /nfs/dbraw/zinc/91/99/55/1064919955.db2.gz FHQXPSNFNVPGNB-GOSISDBHSA-N 0 0 454.354 4.765 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(C(=O)OCC)C2)ccc1Sc1ccccc1 ZINC001435667045 1064920531 /nfs/dbraw/zinc/92/05/31/1064920531.db2.gz RLZKSLGFLCFUIJ-KRWDZBQOSA-N 0 0 456.564 4.822 20 0 JJADRN CC(C)CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001360074490 1064921062 /nfs/dbraw/zinc/92/10/62/1064921062.db2.gz SFIYBAGEWVFAMJ-HRAATJIYSA-N 0 0 497.496 4.725 20 0 JJADRN Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492596937 1064922221 /nfs/dbraw/zinc/92/22/21/1064922221.db2.gz YSMMYVPKHXFNKR-OAQYLSRUSA-N 0 0 484.689 4.615 20 0 JJADRN CO[C@@H](C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001360075542 1064922363 /nfs/dbraw/zinc/92/23/63/1064922363.db2.gz IURGFIIHVRTRCP-MOPGFXCFSA-N 0 0 456.341 4.889 20 0 JJADRN Cc1cccc(CC(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1Br ZINC001435669628 1064922346 /nfs/dbraw/zinc/92/23/46/1064922346.db2.gz XSXABPPISKLMGD-UHFFFAOYSA-N 0 0 455.139 4.931 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)ccc1Sc1ccccc1 ZINC001435668925 1064922464 /nfs/dbraw/zinc/92/24/64/1064922464.db2.gz YZWXCFZRINWCHX-NRFANRHFSA-N 0 0 454.592 4.990 20 0 JJADRN O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001360075435 1064922525 /nfs/dbraw/zinc/92/25/25/1064922525.db2.gz CTVCLRMVATXOAI-VBKZILBWSA-N 0 0 458.382 4.747 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccn(C)c2-c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435669618 1064922930 /nfs/dbraw/zinc/92/29/30/1064922930.db2.gz QXZRABFCBNCXQW-QPPBQGQZSA-N 0 0 453.945 4.965 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669525 1064922966 /nfs/dbraw/zinc/92/29/66/1064922966.db2.gz PEHHPRUIBHDJQB-ROUUACIJSA-N 0 0 453.332 4.964 20 0 JJADRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001435670191 1064923814 /nfs/dbraw/zinc/92/38/14/1064923814.db2.gz YCHKZWMZICTLQA-ZWKOTPCHSA-N 0 0 453.332 4.822 20 0 JJADRN CC(C)CSCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001360076200 1064924289 /nfs/dbraw/zinc/92/42/89/1064924289.db2.gz IXUGEDVUHOTZDW-UHFFFAOYSA-N 0 0 482.698 4.521 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001360076302 1064925196 /nfs/dbraw/zinc/92/51/96/1064925196.db2.gz LLOQOGXISGMTNF-SFHVURJKSA-N 0 0 458.607 4.634 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360076369 1064925643 /nfs/dbraw/zinc/92/56/43/1064925643.db2.gz NBZBZPOALUIAMX-NRFANRHFSA-N 0 0 457.688 4.856 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360076462 1064926394 /nfs/dbraw/zinc/92/63/94/1064926394.db2.gz ADPNUFHMENHSLT-PMACEKPBSA-N 0 0 481.707 4.650 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c1 ZINC001435673260 1064926424 /nfs/dbraw/zinc/92/64/24/1064926424.db2.gz NDKKGTFHXNIGED-RCDICMHDSA-N 0 0 455.473 4.710 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360076514 1064926514 /nfs/dbraw/zinc/92/65/14/1064926514.db2.gz QUYANFDWGGTJRN-UHFFFAOYSA-N 0 0 461.651 4.605 20 0 JJADRN CC(C)CSCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C)CC1 ZINC001360076669 1064927760 /nfs/dbraw/zinc/92/77/60/1064927760.db2.gz CMHZKKZTEGUVPW-IBGZPJMESA-N 0 0 478.732 4.644 20 0 JJADRN CC(C)CSCCCn1c(C2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001360077031 1064929183 /nfs/dbraw/zinc/92/91/83/1064929183.db2.gz INQNODJYSGQGHO-UHFFFAOYSA-N 0 0 451.681 4.676 20 0 JJADRN CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001360077101 1064929485 /nfs/dbraw/zinc/92/94/85/1064929485.db2.gz YXXAJGMEYTYHRB-DOTOQJQBSA-N 0 0 452.466 4.814 20 0 JJADRN CC(C)CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360077143 1064930404 /nfs/dbraw/zinc/93/04/04/1064930404.db2.gz KJPCJUBMGDXOLD-QZTJIDSGSA-N 0 0 454.644 4.856 20 0 JJADRN CC(C)CSCCCn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001360077451 1064930866 /nfs/dbraw/zinc/93/08/66/1064930866.db2.gz QJSQVZHQRCZYEY-OAQYLSRUSA-N 0 0 474.650 4.864 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C ZINC001360077435 1064930914 /nfs/dbraw/zinc/93/09/14/1064930914.db2.gz QEJJQHTVRBKSEQ-IBGZPJMESA-N 0 0 483.723 4.848 20 0 JJADRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001435680820 1064931032 /nfs/dbraw/zinc/93/10/32/1064931032.db2.gz WKEBWFYDNCPQLF-UHFFFAOYSA-N 0 0 458.465 4.695 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(-c2ccccc2)ns1 ZINC001435682009 1064931146 /nfs/dbraw/zinc/93/11/46/1064931146.db2.gz HRFVPXRQWXULLC-GOSISDBHSA-N 0 0 459.493 4.750 20 0 JJADRN CCOCCN(C)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC001435680701 1064931180 /nfs/dbraw/zinc/93/11/80/1064931180.db2.gz LDSXNGVDIDKIJM-UHFFFAOYSA-N 0 0 451.514 4.690 20 0 JJADRN CC(C)CSCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSC[C@@H]1C ZINC001360077882 1064931289 /nfs/dbraw/zinc/93/12/89/1064931289.db2.gz ZFWZTUGLPXRAGR-IBGZPJMESA-N 0 0 456.685 4.852 20 0 JJADRN CC(C)CSCCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001360077880 1064931399 /nfs/dbraw/zinc/93/13/99/1064931399.db2.gz ZEPQMGUXAWXAGW-UHFFFAOYSA-N 0 0 497.713 4.836 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cn1ccc2ccccc2c1=O ZINC001435682931 1064931685 /nfs/dbraw/zinc/93/16/85/1064931685.db2.gz XPKPTUPNIBJJFR-NRFANRHFSA-N 0 0 457.496 4.538 20 0 JJADRN Cc1noc(C)c1CSCC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC001435683715 1064932107 /nfs/dbraw/zinc/93/21/07/1064932107.db2.gz KRKHRRLTJVYCKE-FQEVSTJZSA-N 0 0 452.502 4.747 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)[C@H]1CC(c2ccccc2C)=NO1)C(F)(F)F ZINC001435684144 1064932335 /nfs/dbraw/zinc/93/23/35/1064932335.db2.gz NOZVDXSRJXJVGD-IFMALSPDSA-N 0 0 456.468 4.710 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@@H]3c4ccccc4CC[C@H]3C)n2)cc(Cl)c1OC ZINC001435684246 1064932764 /nfs/dbraw/zinc/93/27/64/1064932764.db2.gz YWOVNBDJUPGAPU-PEBXRYMYSA-N 0 0 455.942 4.780 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001435686295 1064933329 /nfs/dbraw/zinc/93/33/29/1064933329.db2.gz FXUANRYLEDCENW-SSKFGXFMSA-N 0 0 453.583 4.987 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360079469 1064933895 /nfs/dbraw/zinc/93/38/95/1064933895.db2.gz JSOZNILOITVOCD-DEOSSOPVSA-N 0 0 464.626 4.933 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001360079424 1064933946 /nfs/dbraw/zinc/93/39/46/1064933946.db2.gz IQCACFQRWHBOIB-HAGHYFMRSA-N 0 0 463.692 4.817 20 0 JJADRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccn(Cc2ccccc2)c1=O ZINC001435688841 1064934611 /nfs/dbraw/zinc/93/46/11/1064934611.db2.gz HUUDTMQXJZNEGW-GOSISDBHSA-N 0 0 454.370 4.949 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(OC)c(Br)c1 ZINC001435688922 1064934652 /nfs/dbraw/zinc/93/46/52/1064934652.db2.gz XGOYYWRDAJHGHR-FRQCXROJSA-N 0 0 466.759 4.635 20 0 JJADRN C[C@@H](c1ccccn1)N(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001435688724 1064934687 /nfs/dbraw/zinc/93/46/87/1064934687.db2.gz OGNNXMGQOMIHRT-DXIQSLLYSA-N 0 0 452.599 4.887 20 0 JJADRN CN1CCc2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)ccc3Cl)cc21 ZINC001435689430 1064935199 /nfs/dbraw/zinc/93/51/99/1064935199.db2.gz OMBZVJXPNUDJJF-UHFFFAOYSA-N 0 0 459.930 4.525 20 0 JJADRN CC(C)CSCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360079926 1064935285 /nfs/dbraw/zinc/93/52/85/1064935285.db2.gz QZRNDERVNNNJOJ-GOSISDBHSA-N 0 0 463.717 4.921 20 0 JJADRN CC(C)CSCCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001360079758 1064935303 /nfs/dbraw/zinc/93/53/03/1064935303.db2.gz OBDJEFIMDJWJAF-OAQYLSRUSA-N 0 0 463.736 4.731 20 0 JJADRN COc1ccc(CCC(=O)N2CCC3(CC2)OCCc2ccsc23)c(Br)c1 ZINC001435690331 1064935849 /nfs/dbraw/zinc/93/58/49/1064935849.db2.gz BEPVEKKXZVWYKE-UHFFFAOYSA-N 0 0 450.398 4.542 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001435691038 1064936623 /nfs/dbraw/zinc/93/66/23/1064936623.db2.gz HEOXKJQRPYHNOW-KKSFZXQISA-N 0 0 459.384 4.581 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435691073 1064937117 /nfs/dbraw/zinc/93/71/17/1064937117.db2.gz IMGQCVBJRVBIRI-DJJJIMSYSA-N 0 0 456.340 4.883 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001435691340 1064937130 /nfs/dbraw/zinc/93/71/30/1064937130.db2.gz PHEJTMLFQBBWMP-WZONZLPQSA-N 0 0 456.583 4.755 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001435691336 1064937185 /nfs/dbraw/zinc/93/71/85/1064937185.db2.gz PHEJTMLFQBBWMP-MBSDFSHPSA-N 0 0 456.583 4.755 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2cnc3c(c2)COCC3)CC1 ZINC001435691272 1064937197 /nfs/dbraw/zinc/93/71/97/1064937197.db2.gz JNXTUWIKIDQIFD-UHFFFAOYSA-N 0 0 451.567 4.596 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001360080177 1064937266 /nfs/dbraw/zinc/93/72/66/1064937266.db2.gz WUJJIPFRVPLRJQ-UHFFFAOYSA-N 0 0 468.646 4.509 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435691638 1064937676 /nfs/dbraw/zinc/93/76/76/1064937676.db2.gz MBZYGLGVDONQKY-KPZWWZAWSA-N 0 0 453.764 4.792 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435691644 1064937692 /nfs/dbraw/zinc/93/76/92/1064937692.db2.gz MBZYGLGVDONQKY-XIKOKIGWSA-N 0 0 453.764 4.792 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)c2ccccc2C(=O)N1 ZINC001435691642 1064937836 /nfs/dbraw/zinc/93/78/36/1064937836.db2.gz OYUBMDALROZNTF-GFCCVEGCSA-N 0 0 455.274 4.566 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)cc2s1 ZINC001435691737 1064937878 /nfs/dbraw/zinc/93/78/78/1064937878.db2.gz VGIGMVLYSVNWQR-UHFFFAOYSA-N 0 0 457.547 4.897 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)C1 ZINC001435691842 1064938436 /nfs/dbraw/zinc/93/84/36/1064938436.db2.gz QVKGSPVBIBYYQQ-RZQQEMMASA-N 0 0 453.432 4.670 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360080447 1064938545 /nfs/dbraw/zinc/93/85/45/1064938545.db2.gz ICGBFLDJOLPRFW-JQVVWYNYSA-N 0 0 462.635 4.952 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)C1 ZINC001435691846 1064938461 /nfs/dbraw/zinc/93/84/61/1064938461.db2.gz QVKGSPVBIBYYQQ-YRNRMSPPSA-N 0 0 453.432 4.670 20 0 JJADRN CC(C)CSCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 ZINC001360080643 1064938901 /nfs/dbraw/zinc/93/89/01/1064938901.db2.gz NDNHGBWMDKQYMG-UHFFFAOYSA-N 0 0 482.492 4.585 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360080652 1064939136 /nfs/dbraw/zinc/93/91/36/1064939136.db2.gz NMYMXFGOBDUHCF-UHFFFAOYSA-N 0 0 497.503 4.932 20 0 JJADRN CC(C)CSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccccc2)CC1 ZINC001360080908 1064939531 /nfs/dbraw/zinc/93/95/31/1064939531.db2.gz VOGWBNZHNAACEQ-UHFFFAOYSA-N 0 0 464.639 4.699 20 0 JJADRN CC(C)CSCCn1c(C(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360080826 1064939665 /nfs/dbraw/zinc/93/96/65/1064939665.db2.gz SIUSBNDKSNTJDV-SFHVURJKSA-N 0 0 453.697 4.920 20 0 JJADRN Cn1nnc2ccc(C(=O)N[C@@H](COc3cccc(F)c3)c3cccc(C(F)(F)F)c3)cc21 ZINC001435692583 1064939537 /nfs/dbraw/zinc/93/95/37/1064939537.db2.gz XOPODTKCEPGEAK-FQEVSTJZSA-N 0 0 458.415 4.676 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 ZINC001435692859 1064939662 /nfs/dbraw/zinc/93/96/62/1064939662.db2.gz UVOUGNYKQWFQGU-PIGZYNQJSA-N 0 0 457.162 4.726 20 0 JJADRN COC(=O)[C@H](CCC(=O)Nc1cccc(-c2cccs2)c1)NC(=O)OCc1ccccc1 ZINC001360081218 1064940774 /nfs/dbraw/zinc/94/07/74/1064940774.db2.gz FKKVWMOIPXEMIU-FQEVSTJZSA-N 0 0 452.532 4.602 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC001360081292 1064940818 /nfs/dbraw/zinc/94/08/18/1064940818.db2.gz ABRXALPRMNVBCQ-XIKOKIGWSA-N 0 0 457.349 4.532 20 0 JJADRN Cc1ccc(C(F)(F)C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC001360081621 1064940835 /nfs/dbraw/zinc/94/08/35/1064940835.db2.gz ONSNHLBLEWHZQQ-UHFFFAOYSA-N 0 0 451.311 4.727 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1 ZINC001435693599 1064940984 /nfs/dbraw/zinc/94/09/84/1064940984.db2.gz ZVNMQDOFDQGYIY-MGPUTAFESA-N 0 0 450.373 4.898 20 0 JJADRN COc1cc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)ccc1OCc1cscn1 ZINC001360081908 1064941410 /nfs/dbraw/zinc/94/14/10/1064941410.db2.gz LXVVLLZUJMWGEE-UHFFFAOYSA-N 0 0 456.524 4.564 20 0 JJADRN C[C@@]1(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435696531 1064942718 /nfs/dbraw/zinc/94/27/18/1064942718.db2.gz ICTFBVLDFSWPLT-RUZDIDTESA-N 0 0 457.521 4.942 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc3scc(Br)c3c2)c1 ZINC001435696776 1064943430 /nfs/dbraw/zinc/94/34/30/1064943430.db2.gz GZCJCNMCDDDHHB-UHFFFAOYSA-N 0 0 455.337 4.509 20 0 JJADRN CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360082982 1064944041 /nfs/dbraw/zinc/94/40/41/1064944041.db2.gz RZFXGVUKCMJHNW-UHFFFAOYSA-N 0 0 476.691 4.556 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001435698619 1064944564 /nfs/dbraw/zinc/94/45/64/1064944564.db2.gz CHFPONCEFUXMRR-ZDUSSCGKSA-N 0 0 458.183 4.702 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001360083231 1064944633 /nfs/dbraw/zinc/94/46/33/1064944633.db2.gz ARPWUVARBJJOHB-OALUTQOASA-N 0 0 468.671 4.596 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)nn1-c1cc(C)cc(C)c1 ZINC001435699587 1064945736 /nfs/dbraw/zinc/94/57/36/1064945736.db2.gz BMJSFNGKXJPSMQ-MBSDFSHPSA-N 0 0 454.933 4.748 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N[C@@H]1CCCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435700163 1064946108 /nfs/dbraw/zinc/94/61/08/1064946108.db2.gz QVIVUIJUNPQFBF-LJQANCHMSA-N 0 0 454.954 4.528 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(Cl)cccc1OCC1CC1 ZINC001435699933 1064946324 /nfs/dbraw/zinc/94/63/24/1064946324.db2.gz MKSOTDIPZZRTPQ-KRWDZBQOSA-N 0 0 453.753 4.971 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(Cc3cc(F)ccc3F)c3ccccc3)C2)c1 ZINC001360085045 1064947103 /nfs/dbraw/zinc/94/71/03/1064947103.db2.gz XIZHGMHOFISVOF-XMMPIXPASA-N 0 0 452.457 4.708 20 0 JJADRN CC(C)CSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1 ZINC001360085489 1064947472 /nfs/dbraw/zinc/94/74/72/1064947472.db2.gz BLOYMUFIKSANIF-OAQYLSRUSA-N 0 0 489.686 4.612 20 0 JJADRN CC(C)CSCCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360085629 1064948114 /nfs/dbraw/zinc/94/81/14/1064948114.db2.gz FVCPMURMKQXIJF-UHFFFAOYSA-N 0 0 478.106 4.872 20 0 JJADRN CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001360085727 1064948265 /nfs/dbraw/zinc/94/82/65/1064948265.db2.gz HVHNZUYSACRTIJ-HRAATJIYSA-N 0 0 450.599 4.540 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(Br)c1 ZINC001435705390 1064948518 /nfs/dbraw/zinc/94/85/18/1064948518.db2.gz ZREJTYACTYAZDW-GTNSWQLSSA-N 0 0 456.167 4.781 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)[C@H]3CCc4nnn(C)c4C3)oc21 ZINC001435705353 1064948530 /nfs/dbraw/zinc/94/85/30/1064948530.db2.gz CSIITYPDRFRKPY-VBKZILBWSA-N 0 0 459.388 4.593 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(Br)cc(Br)c2)cc1 ZINC001435706905 1064949088 /nfs/dbraw/zinc/94/90/88/1064949088.db2.gz TWOJGXQZBOHYRX-PIGZYNQJSA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001360086121 1064949293 /nfs/dbraw/zinc/94/92/93/1064949293.db2.gz QJOLHIAJSKDFCG-ZJSXRUAMSA-N 0 0 479.090 4.746 20 0 JJADRN CC(C)CSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360086404 1064949907 /nfs/dbraw/zinc/94/99/07/1064949907.db2.gz XNXVIFOGSJTDTI-IBGZPJMESA-N 0 0 495.734 4.786 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1C ZINC001435709512 1064950181 /nfs/dbraw/zinc/95/01/81/1064950181.db2.gz CMBTVKPJXYZYRB-HXUWFJFHSA-N 0 0 453.583 4.878 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001360086443 1064950517 /nfs/dbraw/zinc/95/05/17/1064950517.db2.gz YTNGNGZQPVMRQB-JOCHJYFZSA-N 0 0 478.106 4.885 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001360086444 1064950544 /nfs/dbraw/zinc/95/05/44/1064950544.db2.gz YTNGNGZQPVMRQB-QFIPXVFZSA-N 0 0 478.106 4.885 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC001435711711 1064950704 /nfs/dbraw/zinc/95/07/04/1064950704.db2.gz WIRWQHJFBYCICQ-HXUWFJFHSA-N 0 0 451.419 4.956 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1c(Cl)cccc1OC ZINC001545892516 1064950890 /nfs/dbraw/zinc/95/08/90/1064950890.db2.gz VRWPMIVHGFKFOZ-ROUUACIJSA-N 0 0 474.049 4.923 20 0 JJADRN CC(C)CSCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001360086910 1064950862 /nfs/dbraw/zinc/95/08/62/1064950862.db2.gz IIDNTXLBBRTLEU-FQEVSTJZSA-N 0 0 479.488 4.960 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001360087180 1064951387 /nfs/dbraw/zinc/95/13/87/1064951387.db2.gz NXTKGVMMHMQGQF-FQEVSTJZSA-N 0 0 472.058 4.964 20 0 JJADRN CC(C)CSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001360087460 1064952214 /nfs/dbraw/zinc/95/22/14/1064952214.db2.gz STEGYMVLVKVLOB-WZONZLPQSA-N 0 0 497.130 4.997 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H]1c1cccc(C)c1 ZINC001360087587 1064952480 /nfs/dbraw/zinc/95/24/80/1064952480.db2.gz NILQPTVIMXAOLN-NOZRDPDXSA-N 0 0 452.620 4.955 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1oc2ccccc2c1Br ZINC001435716156 1064952832 /nfs/dbraw/zinc/95/28/32/1064952832.db2.gz WXVRCFOZVOCBBP-AWEZNQCLSA-N 0 0 451.679 4.523 20 0 JJADRN CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001435717081 1064952908 /nfs/dbraw/zinc/95/29/08/1064952908.db2.gz HEPKQYSNJULLIZ-UHFFFAOYSA-N 0 0 454.951 4.693 20 0 JJADRN CC(C)CSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001360087710 1064953233 /nfs/dbraw/zinc/95/32/33/1064953233.db2.gz YAPGMHNXSYQYAM-QFIPXVFZSA-N 0 0 472.058 4.884 20 0 JJADRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCO1 ZINC001435717602 1064953590 /nfs/dbraw/zinc/95/35/90/1064953590.db2.gz CAVKMPFEVIPRPJ-URXFXBBRSA-N 0 0 458.624 4.615 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC001360088978 1064954847 /nfs/dbraw/zinc/95/48/47/1064954847.db2.gz FQXGTEWREXDEEF-ZEQRLZLVSA-N 0 0 481.685 4.827 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(F)cc2OCC(F)F)nnc1-c1cccc(C)c1 ZINC001435722519 1064954995 /nfs/dbraw/zinc/95/49/95/1064954995.db2.gz QNZUILOKAJUGBC-UHFFFAOYSA-N 0 0 450.486 4.787 20 0 JJADRN Cc1nc(Br)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001435722763 1064955161 /nfs/dbraw/zinc/95/51/61/1064955161.db2.gz UPZWTKNDLJZLBD-KRWDZBQOSA-N 0 0 452.352 4.797 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001360089082 1064955285 /nfs/dbraw/zinc/95/52/85/1064955285.db2.gz JAJZUWSRIRVNKU-QZTJIDSGSA-N 0 0 479.716 4.851 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360089063 1064955294 /nfs/dbraw/zinc/95/52/94/1064955294.db2.gz ILRHIVDAECVIOL-MOPGFXCFSA-N 0 0 481.707 4.743 20 0 JJADRN Cc1nc(Br)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 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/nfs/dbraw/zinc/02/15/49/1065021549.db2.gz JFANDLHWSOBHBP-UHFFFAOYSA-N 0 0 457.191 4.510 20 0 JJADRN Cc1cc(I)cc(C(=O)NCCc2ccc(OCC(C)C)cc2)c1C ZINC001360127415 1065021554 /nfs/dbraw/zinc/02/15/54/1065021554.db2.gz GLGCMTPBDANISI-UHFFFAOYSA-N 0 0 451.348 4.915 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C)c1cccc(Br)c1 ZINC001435849170 1065021912 /nfs/dbraw/zinc/02/19/12/1065021912.db2.gz DTWRVSVLHHODPX-RTBURBONSA-N 0 0 455.755 4.932 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)Cc2csc3cc(C)sc23)c(OC)c1 ZINC001435849679 1065021946 /nfs/dbraw/zinc/02/19/46/1065021946.db2.gz OCBYYQDHAGOOCW-UHFFFAOYSA-N 0 0 457.577 4.723 20 0 JJADRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001435849540 1065021963 /nfs/dbraw/zinc/02/19/63/1065021963.db2.gz GADREBPGVNAVRQ-GOSISDBHSA-N 0 0 456.342 4.611 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)c2cccc(OCC=C(C)C)c2)c(OC)c1 ZINC001435849909 1065022020 /nfs/dbraw/zinc/02/20/20/1065022020.db2.gz QWAMICJODGEXIE-UHFFFAOYSA-N 0 0 451.523 4.555 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001435850432 1065022462 /nfs/dbraw/zinc/02/24/62/1065022462.db2.gz CIJIBYZNAQYCMJ-JOCHJYFZSA-N 0 0 459.550 4.737 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cnc(Br)c(Br)c1)[C@@H]2C ZINC001435852553 1065024769 /nfs/dbraw/zinc/02/47/69/1065024769.db2.gz GOPKKYQHFGBQFL-WDEREUQCSA-N 0 0 454.162 4.763 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001435856228 1065027553 /nfs/dbraw/zinc/02/75/53/1065027553.db2.gz VOEFOJBEBOKWRX-HXUWFJFHSA-N 0 0 455.436 4.514 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1 ZINC001435857078 1065028122 /nfs/dbraw/zinc/02/81/22/1065028122.db2.gz BVGHXWCRJLSSLG-UHFFFAOYSA-N 0 0 450.366 4.672 20 0 JJADRN O=C(Nc1ncc(C2CCCCC2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001435857597 1065028276 /nfs/dbraw/zinc/02/82/76/1065028276.db2.gz YWEVMJXUPYELOI-UHFFFAOYSA-N 0 0 454.017 4.881 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3ccc(C(F)(F)F)c(F)c3C)c12 ZINC001435858337 1065028814 /nfs/dbraw/zinc/02/88/14/1065028814.db2.gz INACBINJXZEEOG-CQSZACIVSA-N 0 0 450.436 4.946 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859754 1065029335 /nfs/dbraw/zinc/02/93/35/1065029335.db2.gz PYPWLPQDSHNVFC-CQSZACIVSA-N 0 0 454.399 4.631 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001435861570 1065030008 /nfs/dbraw/zinc/03/00/08/1065030008.db2.gz CJBSKDATJJEPBG-UHFFFAOYSA-N 0 0 457.796 4.678 20 0 JJADRN O=C(N1CCN(Cc2c(F)cccc2Cl)CC1)C1(c2ccccc2Br)CC1 ZINC001435862920 1065030654 /nfs/dbraw/zinc/03/06/54/1065030654.db2.gz PGLUALGVZUYYBW-UHFFFAOYSA-N 0 0 451.767 4.618 20 0 JJADRN Cc1cc(Br)c(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC001435862497 1065030694 /nfs/dbraw/zinc/03/06/94/1065030694.db2.gz LELOQKGFLNNKTD-UHFFFAOYSA-N 0 0 452.711 4.963 20 0 JJADRN Cc1cc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1-n1nnnc1C(C)C ZINC001435862233 1065030737 /nfs/dbraw/zinc/03/07/37/1065030737.db2.gz XLOMBACPAAQCCA-UHFFFAOYSA-N 0 0 458.497 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC1Cc2ccccc2C1 ZINC001545893805 1065031126 /nfs/dbraw/zinc/03/11/26/1065031126.db2.gz IPMQPYBQPFNZDR-FQEVSTJZSA-N 0 0 477.575 4.780 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864740 1065031770 /nfs/dbraw/zinc/03/17/70/1065031770.db2.gz PJYYKYWPRNOGOT-INIZCTEOSA-N 0 0 453.404 4.793 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC001360135701 1065032001 /nfs/dbraw/zinc/03/20/01/1065032001.db2.gz WREADLJWMLYWRM-SFHVURJKSA-N 0 0 457.368 4.942 20 0 JJADRN Cn1cnc(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)c2)n1 ZINC001435865229 1065032952 /nfs/dbraw/zinc/03/29/52/1065032952.db2.gz VLRLKMAIVDFCQF-JOCHJYFZSA-N 0 0 459.937 4.635 20 0 JJADRN Cc1c(Br)c(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nn1C ZINC001435865439 1065033132 /nfs/dbraw/zinc/03/31/32/1065033132.db2.gz YMDZIOZKZRPILH-ZDUSSCGKSA-N 0 0 458.200 4.885 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001360137670 1065033521 /nfs/dbraw/zinc/03/35/21/1065033521.db2.gz YHAGBRAIGYOIDC-UHFFFAOYSA-N 0 0 455.393 4.613 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001545893838 1065034039 /nfs/dbraw/zinc/03/40/39/1065034039.db2.gz JDVQKNUJQDKUHX-CQSZACIVSA-N 0 0 457.928 4.519 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1oc2ccccc2c1Br ZINC001435868498 1065035344 /nfs/dbraw/zinc/03/53/44/1065035344.db2.gz FKEFTLHXRBNPLB-HSZRJFAPSA-N 0 0 456.336 4.976 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ccc(C)cc2C(=O)OC)cc1OCC ZINC001360139082 1065035426 /nfs/dbraw/zinc/03/54/26/1065035426.db2.gz ZMYBMPZDKDRXNY-UHFFFAOYSA-N 0 0 450.329 4.523 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001360139722 1065036071 /nfs/dbraw/zinc/03/60/71/1065036071.db2.gz PONRLSDEODZDKI-UHFFFAOYSA-N 0 0 456.340 4.710 20 0 JJADRN CS[C@H](CNC(=O)c1cc(Br)ccc1I)C(C)(C)C ZINC001435871308 1065036646 /nfs/dbraw/zinc/03/66/46/1065036646.db2.gz VYHCMISJUCMGJW-GFCCVEGCSA-N 0 0 456.187 4.561 20 0 JJADRN O=C(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cnc2ccccc2c1C(F)(F)F ZINC001435872273 1065036677 /nfs/dbraw/zinc/03/66/77/1065036677.db2.gz HEUARKJNCSTMPW-UHFFFAOYSA-N 0 0 450.779 4.984 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCc3cc(Br)cc(F)c32)cc1 ZINC001435872612 1065037172 /nfs/dbraw/zinc/03/71/72/1065037172.db2.gz VGERNARVIYVQAY-ZDUSSCGKSA-N 0 0 451.361 4.546 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCc3cc(Br)cc(F)c32)cc1 ZINC001435872610 1065037218 /nfs/dbraw/zinc/03/72/18/1065037218.db2.gz VGERNARVIYVQAY-CYBMUJFWSA-N 0 0 451.361 4.546 20 0 JJADRN COc1cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)ccc1C(F)(F)F ZINC001435873825 1065037540 /nfs/dbraw/zinc/03/75/40/1065037540.db2.gz WIYCAWIQAQEHLT-UHFFFAOYSA-N 0 0 454.445 4.870 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545893877 1065037745 /nfs/dbraw/zinc/03/77/45/1065037745.db2.gz JWGIQJJYILUFLX-HNNXBMFYSA-N 0 0 487.954 4.686 20 0 JJADRN COc1cc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc(NC(C)=O)c1OC ZINC001435874601 1065037788 /nfs/dbraw/zinc/03/77/88/1065037788.db2.gz UEKAVMSSLPVATH-UHFFFAOYSA-N 0 0 450.457 4.880 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001360140744 1065039170 /nfs/dbraw/zinc/03/91/70/1065039170.db2.gz AIUAWDACWHCXRR-YAQIIAKESA-N 0 0 452.334 4.787 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3cc(-n4cccc4)ccc3F)CC2=O)ccc1Br ZINC001360141387 1065039662 /nfs/dbraw/zinc/03/96/62/1065039662.db2.gz JHGCVDJVLPRMIP-HNNXBMFYSA-N 0 0 456.315 4.679 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)CCSCC1 ZINC001435879056 1065039952 /nfs/dbraw/zinc/03/99/52/1065039952.db2.gz AWUPIYQWMAEKKS-KRWDZBQOSA-N 0 0 459.637 4.800 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 ZINC001435878342 1065039963 /nfs/dbraw/zinc/03/99/63/1065039963.db2.gz LDJXNTQAPJXAQN-LJQANCHMSA-N 0 0 455.624 4.540 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1OCCC(C)C ZINC001435878989 1065040013 /nfs/dbraw/zinc/04/00/13/1065040013.db2.gz NBZYLJHWNLCLMV-NRFANRHFSA-N 0 0 458.986 4.695 20 0 JJADRN O=C(NCCc1ccc2c(c1)CCO2)c1ccccc1Sc1ccc(Br)cn1 ZINC001435878940 1065040095 /nfs/dbraw/zinc/04/00/95/1065040095.db2.gz TUZSMGHQHJZGEQ-UHFFFAOYSA-N 0 0 455.377 4.903 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(-n4cccc4)ccc3F)cc2)C1 ZINC001360141450 1065040289 /nfs/dbraw/zinc/04/02/89/1065040289.db2.gz KINFVOZDMAVUIU-HDICACEKSA-N 0 0 455.555 4.535 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)c3cn4c(Br)cnc4s3)cc2)c1 ZINC001435879822 1065040610 /nfs/dbraw/zinc/04/06/10/1065040610.db2.gz QSKXDKZCZHLPOU-UHFFFAOYSA-N 0 0 456.365 4.976 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3scc(Br)c3C)c2)n1 ZINC001435879132 1065040616 /nfs/dbraw/zinc/04/06/16/1065040616.db2.gz HPHFQLNHPUEGES-UHFFFAOYSA-N 0 0 451.367 4.659 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001435880940 1065041369 /nfs/dbraw/zinc/04/13/69/1065041369.db2.gz YBYLCDWREKINGX-UHFFFAOYSA-N 0 0 455.352 4.660 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1ccc2c(c1)OCO2)C1CC1 ZINC001435881260 1065042036 /nfs/dbraw/zinc/04/20/36/1065042036.db2.gz HUZOFGNYUSSQOQ-OAQYLSRUSA-N 0 0 450.318 4.560 20 0 JJADRN COCCOc1cccc(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(C)cc2)c1 ZINC001360142854 1065042957 /nfs/dbraw/zinc/04/29/57/1065042957.db2.gz YDKNLLVORFTSQE-AREMUKBSSA-N 0 0 458.558 4.549 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2cccc(Br)n2)cc1 ZINC001360142563 1065043262 /nfs/dbraw/zinc/04/32/62/1065043262.db2.gz UUGSPHZDHFERLR-HXUWFJFHSA-N 0 0 450.336 4.753 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(I)c(Cl)c1 ZINC001435885373 1065043816 /nfs/dbraw/zinc/04/38/16/1065043816.db2.gz SEEBACQSIDJCJZ-SWLSCSKDSA-N 0 0 479.742 4.681 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)OCc3ccc(I)c(Cl)c3)c21 ZINC001435885737 1065044419 /nfs/dbraw/zinc/04/44/19/1065044419.db2.gz XCXOJAGNCRLKAK-UHFFFAOYSA-N 0 0 455.679 4.720 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001435888129 1065045471 /nfs/dbraw/zinc/04/54/71/1065045471.db2.gz DUKZJFMMYYYPJS-UHFFFAOYSA-N 0 0 450.501 4.660 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 ZINC001435888760 1065045636 /nfs/dbraw/zinc/04/56/36/1065045636.db2.gz DWOJEPFJCTVIGK-UHFFFAOYSA-N 0 0 458.469 4.509 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435888726 1065045921 /nfs/dbraw/zinc/04/59/21/1065045921.db2.gz IKBCOWVMPQHKEB-IBNJYYFUSA-N 0 0 453.341 4.578 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001435888710 1065045961 /nfs/dbraw/zinc/04/59/61/1065045961.db2.gz HYWVQMMQGYUXJP-UHFFFAOYSA-N 0 0 456.262 4.506 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435888701 1065046164 /nfs/dbraw/zinc/04/61/64/1065046164.db2.gz HKQUZTWLOFWRCE-SJORKVTESA-N 0 0 458.430 4.687 20 0 JJADRN CC[C@@H](CN(C)C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889933 1065047091 /nfs/dbraw/zinc/04/70/91/1065047091.db2.gz LAQQBWLQZDVDFD-ZBFHGGJFSA-N 0 0 458.407 4.816 20 0 JJADRN CC[C@@H](CN(C)C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889932 1065047103 /nfs/dbraw/zinc/04/71/03/1065047103.db2.gz LAQQBWLQZDVDFD-HOCLYGCPSA-N 0 0 458.407 4.816 20 0 JJADRN CC[C@@H](CN(C)C(=O)C1CCN(C(=O)N(CC)CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889891 1065047158 /nfs/dbraw/zinc/04/71/58/1065047158.db2.gz KVUXGTXPMHPNTO-KRWDZBQOSA-N 0 0 458.430 4.783 20 0 JJADRN CC[C@H](CN(C)C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889907 1065047184 /nfs/dbraw/zinc/04/71/84/1065047184.db2.gz LAQQBWLQZDVDFD-GDBMZVCRSA-N 0 0 458.407 4.816 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2F)c1 ZINC001360145661 1065047251 /nfs/dbraw/zinc/04/72/51/1065047251.db2.gz UEXHSMKEODWUBC-QGZVFWFLSA-N 0 0 453.297 4.553 20 0 JJADRN CCc1nc2ccccc2c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)OC)c2)c1C ZINC001360145863 1065047484 /nfs/dbraw/zinc/04/74/84/1065047484.db2.gz YXECLLZHGYBWRW-HSZRJFAPSA-N 0 0 459.546 4.526 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC001360145605 1065047531 /nfs/dbraw/zinc/04/75/31/1065047531.db2.gz SBZFEFMQZKKWEU-UHFFFAOYSA-N 0 0 451.544 4.718 20 0 JJADRN CC[C@@H](CN(C)C(=O)CC1(Cn2cnnn2)CCCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890300 1065047556 /nfs/dbraw/zinc/04/75/56/1065047556.db2.gz OJBDJFRLGXHNQH-INIZCTEOSA-N 0 0 454.402 4.637 20 0 JJADRN CC[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890687 1065047637 /nfs/dbraw/zinc/04/76/37/1065047637.db2.gz WGLVUHMXDFPVFU-GJZGRUSLSA-N 0 0 453.341 4.801 20 0 JJADRN C[C@@H](CN(C)C(=O)CCCNC(=O)c1ccc(F)cc1F)Oc1ccc(Cl)c(Cl)c1 ZINC001435890607 1065047654 /nfs/dbraw/zinc/04/76/54/1065047654.db2.gz VCOCNPLPQKMZSM-ZDUSSCGKSA-N 0 0 459.320 4.708 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2c(Cl)cccc2OC)[C@@H]1c1ccccc1OC ZINC001435891338 1065048166 /nfs/dbraw/zinc/04/81/66/1065048166.db2.gz LEFQUWGBUJXRDZ-KOSHJBKYSA-N 0 0 458.986 4.753 20 0 JJADRN CCOc1cc(C(=O)NCc2ccc(C3CCC3)cc2)ccc1OCC(=O)N1CCCCC1 ZINC001435892183 1065048426 /nfs/dbraw/zinc/04/84/26/1065048426.db2.gz SZBKYDHMRCFBGN-UHFFFAOYSA-N 0 0 450.579 4.674 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)Oc1cc(F)cc(I)c1 ZINC001435892539 1065048589 /nfs/dbraw/zinc/04/85/89/1065048589.db2.gz DQSJLNVMOHRFPL-UHFFFAOYSA-N 0 0 456.251 4.534 20 0 JJADRN C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001435891820 1065048645 /nfs/dbraw/zinc/04/86/45/1065048645.db2.gz PDSZKYGJHVNSMO-HMMYKYKNSA-N 0 0 454.636 4.900 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)Cc2ccc(F)c(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435893290 1065049063 /nfs/dbraw/zinc/04/90/63/1065049063.db2.gz PHYYXEJGDJKXFA-UHFFFAOYSA-N 0 0 453.823 4.624 20 0 JJADRN O=C(Cc1cccc(F)c1F)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001435896053 1065050376 /nfs/dbraw/zinc/05/03/76/1065050376.db2.gz WBZORDVGLFRPTL-UHFFFAOYSA-N 0 0 456.148 4.874 20 0 JJADRN CC1(C)CC[C@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)OC1 ZINC001435895956 1065050388 /nfs/dbraw/zinc/05/03/88/1065050388.db2.gz UPVJBTQDMXWVBO-GFCCVEGCSA-N 0 0 456.242 4.949 20 0 JJADRN Cc1onc(OC(F)F)c1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001435895673 1065050604 /nfs/dbraw/zinc/05/06/04/1065050604.db2.gz BAXAHXFLDXNTBK-UHFFFAOYSA-N 0 0 450.286 4.713 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C)N4CCOCC4)cc3)c2C(F)(F)F)cc1 ZINC001360148877 1065051682 /nfs/dbraw/zinc/05/16/82/1065051682.db2.gz RDKTXEJVNHTQBN-KRWDZBQOSA-N 0 0 458.484 4.845 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3cc(Br)ncc3Br)CC2)c1 ZINC001435898727 1065051889 /nfs/dbraw/zinc/05/18/89/1065051889.db2.gz BIIDNZPOBZTORO-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)c2ccccc12 ZINC001435899230 1065052296 /nfs/dbraw/zinc/05/22/96/1065052296.db2.gz DPLGLDDDZVBBQJ-UHFFFAOYSA-N 0 0 455.230 4.848 20 0 JJADRN O=C(NCc1cccc(C(F)F)c1)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC001435899375 1065052357 /nfs/dbraw/zinc/05/23/57/1065052357.db2.gz LNXQLFCYXWBPIZ-UHFFFAOYSA-N 0 0 456.942 4.575 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCCCNC(=O)c3ccccc3)c3cnn(C(C)C)c3n2)cc1 ZINC001435900397 1065052847 /nfs/dbraw/zinc/05/28/47/1065052847.db2.gz SHXFBJKMUWDBBM-UHFFFAOYSA-N 0 0 455.562 4.538 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)Nc3ccc(OC4COC4)cc3)cc21 ZINC001435901283 1065053142 /nfs/dbraw/zinc/05/31/42/1065053142.db2.gz HLPLSJNQFZGDOO-LJQANCHMSA-N 0 0 452.551 4.661 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)Nc3ccc(OC4COC4)cc3)cc21 ZINC001435901282 1065053178 /nfs/dbraw/zinc/05/31/78/1065053178.db2.gz HLPLSJNQFZGDOO-IBGZPJMESA-N 0 0 452.551 4.661 20 0 JJADRN COc1ccc(CCC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1F ZINC001435902840 1065054026 /nfs/dbraw/zinc/05/40/26/1065054026.db2.gz WXSPFZBUBYJXOD-UHFFFAOYSA-N 0 0 450.348 4.737 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(COc2ccc(F)cc2)o1 ZINC001435902350 1065054153 /nfs/dbraw/zinc/05/41/53/1065054153.db2.gz PSBMZBKKEWIYCN-XMMPIXPASA-N 0 0 458.489 4.978 20 0 JJADRN COCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC001435904577 1065054916 /nfs/dbraw/zinc/05/49/16/1065054916.db2.gz QDINIODWHAJZDL-UHFFFAOYSA-N 0 0 458.967 4.606 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC001360151045 1065055086 /nfs/dbraw/zinc/05/50/86/1065055086.db2.gz QLHQSXNAOIHJPZ-OAHLLOKOSA-N 0 0 456.327 4.775 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001360151417 1065055770 /nfs/dbraw/zinc/05/57/70/1065055770.db2.gz ATBNTNILMLZJBC-QHCPKHFHSA-N 0 0 458.558 4.721 20 0 JJADRN CSC[C@H](C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001360151901 1065055889 /nfs/dbraw/zinc/05/58/89/1065055889.db2.gz SXFCCFVREPVACX-AIZKBTNYSA-N 0 0 451.588 4.651 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435906444 1065055906 /nfs/dbraw/zinc/05/59/06/1065055906.db2.gz HGMBAWWAXOPHLJ-VOQZNFBZSA-N 0 0 458.986 4.764 20 0 JJADRN Cc1c(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cnn1-c1ccc(F)cc1 ZINC001435907647 1065056710 /nfs/dbraw/zinc/05/67/10/1065056710.db2.gz IYMMELVMDLBHHS-UHFFFAOYSA-N 0 0 450.514 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccn(-c4ccccc4Cl)n3)cc2C1 ZINC001435907841 1065056837 /nfs/dbraw/zinc/05/68/37/1065056837.db2.gz LKRPSWYWDNDGNE-UHFFFAOYSA-N 0 0 452.942 4.706 20 0 JJADRN O=C(Cc1ccccc1I)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001360154673 1065056777 /nfs/dbraw/zinc/05/67/77/1065056777.db2.gz FOXFOMSUKWWGAQ-NRFANRHFSA-N 0 0 457.311 4.770 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c(-n2cc(Cl)cn2)n1 ZINC001435908370 1065057197 /nfs/dbraw/zinc/05/71/97/1065057197.db2.gz SHDBTTSTWFUGPN-UHFFFAOYSA-N 0 0 458.374 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC001360155367 1065057201 /nfs/dbraw/zinc/05/72/01/1065057201.db2.gz VZUAHBURWHWANF-OBTVHEKISA-N 0 0 450.579 4.960 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001435909002 1065057506 /nfs/dbraw/zinc/05/75/06/1065057506.db2.gz MSXVJUWCAKYZHN-ABAIWWIYSA-N 0 0 462.088 4.601 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br ZINC001435909154 1065057520 /nfs/dbraw/zinc/05/75/20/1065057520.db2.gz HMTAUXPASAZBTA-JTQLQIEISA-N 0 0 459.182 4.663 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C1CCCC1 ZINC001435908640 1065057554 /nfs/dbraw/zinc/05/75/54/1065057554.db2.gz TZWPEBUUWGHQRS-NRFANRHFSA-N 0 0 458.599 4.702 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)Cc3ccco3)n2CCSC(F)(F)F)c2ccccc2c1=O ZINC001360156446 1065057907 /nfs/dbraw/zinc/05/79/07/1065057907.db2.gz ALIAGIWDXAWKOP-UHFFFAOYSA-N 0 0 492.527 4.718 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCCCCO)c2ccccc2c1=O ZINC001360156785 1065058398 /nfs/dbraw/zinc/05/83/98/1065058398.db2.gz NKIZZJCJMARWAO-UHFFFAOYSA-N 0 0 492.668 4.971 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)cc1F ZINC001435909886 1065058488 /nfs/dbraw/zinc/05/84/88/1065058488.db2.gz ZTSHHOAYUAQTAS-GTNSWQLSSA-N 0 0 459.686 4.686 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)cc1F ZINC001435909890 1065058553 /nfs/dbraw/zinc/05/85/53/1065058553.db2.gz ZTSHHOAYUAQTAS-PIGZYNQJSA-N 0 0 459.686 4.686 20 0 JJADRN COC(=O)c1ccc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001435909880 1065058672 /nfs/dbraw/zinc/05/86/72/1065058672.db2.gz NAZJQUJFPHTECI-UHFFFAOYSA-N 0 0 458.274 4.894 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)cc1F ZINC001435909884 1065058682 /nfs/dbraw/zinc/05/86/82/1065058682.db2.gz ZTSHHOAYUAQTAS-DIFFPNOSSA-N 0 0 459.686 4.686 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)c(Br)c1 ZINC001435910425 1065059025 /nfs/dbraw/zinc/05/90/25/1065059025.db2.gz PWMUXQDUXDQLRK-GOSISDBHSA-N 0 0 454.748 4.609 20 0 JJADRN COCCCOc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1 ZINC001435910887 1065059110 /nfs/dbraw/zinc/05/91/10/1065059110.db2.gz CHZYGBUIVHVONO-MRXNPFEDSA-N 0 0 450.379 4.939 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)CC1(C(F)(F)F)CC1 ZINC001435911533 1065059471 /nfs/dbraw/zinc/05/94/71/1065059471.db2.gz CLPGDADGAJDZMH-AWEZNQCLSA-N 0 0 450.295 4.698 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1Cc2ccccc2C1=O ZINC001360157747 1065059516 /nfs/dbraw/zinc/05/95/16/1065059516.db2.gz SUZQOTYBHMURCM-OAQYLSRUSA-N 0 0 454.933 4.733 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2ccc([C@@H]3CCCOC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001360161102 1065059788 /nfs/dbraw/zinc/05/97/88/1065059788.db2.gz BYWSEEIVCCEWDZ-VWNXMTODSA-N 0 0 457.014 4.816 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cncc(N4CCCC4)n3)cc2Cl)n1 ZINC001435913605 1065060223 /nfs/dbraw/zinc/06/02/23/1065060223.db2.gz RCBRFTYLBGCOCQ-UHFFFAOYSA-N 0 0 458.975 4.924 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 ZINC001360161386 1065060348 /nfs/dbraw/zinc/06/03/48/1065060348.db2.gz IATVLMVLKXYAIF-DEOSSOPVSA-N 0 0 456.030 4.831 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)c1 ZINC001435914515 1065060695 /nfs/dbraw/zinc/06/06/95/1065060695.db2.gz SWDCXQMRWZOKHY-GOSISDBHSA-N 0 0 456.608 4.586 20 0 JJADRN CC(C)(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccc(F)cc1F ZINC001360161944 1065060813 /nfs/dbraw/zinc/06/08/13/1065060813.db2.gz QBJRZQZXUUXNOS-NRFANRHFSA-N 0 0 450.957 4.864 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001360161715 1065060882 /nfs/dbraw/zinc/06/08/82/1065060882.db2.gz GFKCZMPOXHHLCG-HXUWFJFHSA-N 0 0 476.625 4.769 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001435914107 1065060969 /nfs/dbraw/zinc/06/09/69/1065060969.db2.gz YSIBAYVBXWTQQZ-UHFFFAOYSA-N 0 0 455.502 4.648 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccc(F)c(F)c1F ZINC001435915160 1065061307 /nfs/dbraw/zinc/06/13/07/1065061307.db2.gz YSOQSMLTBCODLF-ZDUSSCGKSA-N 0 0 458.274 4.696 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360164256 1065062190 /nfs/dbraw/zinc/06/21/90/1065062190.db2.gz QTCNBPBLYSRLDN-BAGYTPMASA-N 0 0 467.658 4.770 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1csc(-c2ccc(C)n2C)n1 ZINC001435917143 1065062199 /nfs/dbraw/zinc/06/21/99/1065062199.db2.gz HHGUWMIWVKIFSS-UHFFFAOYSA-N 0 0 454.596 4.723 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CC1 ZINC001435917841 1065062221 /nfs/dbraw/zinc/06/22/21/1065062221.db2.gz PYWWFBLEGRURST-HXUWFJFHSA-N 0 0 454.596 4.995 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(-c2cccc(OC)c2)no1 ZINC001435917595 1065062410 /nfs/dbraw/zinc/06/24/10/1065062410.db2.gz NZTBPCCRHXGDHF-UHFFFAOYSA-N 0 0 451.523 4.616 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C1CC1 ZINC001435917263 1065062463 /nfs/dbraw/zinc/06/24/63/1065062463.db2.gz IUYMNSPTBWDDBQ-QGZVFWFLSA-N 0 0 457.880 4.550 20 0 JJADRN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)C1CC1 ZINC001360165501 1065062646 /nfs/dbraw/zinc/06/26/46/1065062646.db2.gz PQWIBPSROBOPRU-TWFHAPMSSA-N 0 0 450.645 4.591 20 0 JJADRN Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(I)ccc1Br ZINC001360165215 1065062734 /nfs/dbraw/zinc/06/27/34/1065062734.db2.gz IQIWPVDUFHRFQU-INIZCTEOSA-N 0 0 456.121 4.779 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)ccc2c1 ZINC001360168000 1065063051 /nfs/dbraw/zinc/06/30/51/1065063051.db2.gz ZYDFDVAQXNXOFF-SBUREZEXSA-N 0 0 453.560 4.543 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1CCCC1CCCC1 ZINC001360168168 1065063201 /nfs/dbraw/zinc/06/32/01/1065063201.db2.gz MDKCRWPIVVHPIS-UHFFFAOYSA-N 0 0 468.465 4.847 20 0 JJADRN CC(C)Oc1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC001435919547 1065063429 /nfs/dbraw/zinc/06/34/29/1065063429.db2.gz IATGLBBJRBDTSH-UHFFFAOYSA-N 0 0 457.727 4.787 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H]1CCCc2ccccc21 ZINC001360169360 1065063687 /nfs/dbraw/zinc/06/36/87/1065063687.db2.gz CAFMTQKUMYEQMH-KRWDZBQOSA-N 0 0 458.031 4.888 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCCc2ccc(F)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435920145 1065063790 /nfs/dbraw/zinc/06/37/90/1065063790.db2.gz HUJPGZVTEGIRJN-YCRPNKLZSA-N 0 0 452.904 4.804 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919969 1065063808 /nfs/dbraw/zinc/06/38/08/1065063808.db2.gz GCMFJYGNFVMEJV-UNMCSNQZSA-N 0 0 455.599 4.924 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c2ccccc21 ZINC001435921031 1065064444 /nfs/dbraw/zinc/06/44/44/1065064444.db2.gz OJAKUMHPXFASNK-YDPRHXJPSA-N 0 0 454.611 4.715 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc1N1CCCCC1 ZINC001360171082 1065065126 /nfs/dbraw/zinc/06/51/26/1065065126.db2.gz UPEGATQVNVUVIZ-UHFFFAOYSA-N 0 0 458.349 4.521 20 0 JJADRN CN(C)Cc1ccc(NC(=O)c2cc(Br)cnc2C2CC2)cc1Br ZINC001435922669 1065065192 /nfs/dbraw/zinc/06/51/92/1065065192.db2.gz DALWOTWEJVYYCV-UHFFFAOYSA-N 0 0 453.178 4.798 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001360173263 1065065464 /nfs/dbraw/zinc/06/54/64/1065065464.db2.gz SKJMTKLSOXULBM-LJQANCHMSA-N 0 0 460.022 4.588 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360173417 1065065493 /nfs/dbraw/zinc/06/54/93/1065065493.db2.gz XQUZFSAKPNTTTR-AZUAARDMSA-N 0 0 462.038 4.547 20 0 JJADRN C[C@H](CC(=O)N1CCN(C(=O)CC2CCCCC2)CC1)c1ccc(F)c(Br)c1 ZINC001360173501 1065065930 /nfs/dbraw/zinc/06/59/30/1065065930.db2.gz AITJFWNUGGNVBA-MRXNPFEDSA-N 0 0 453.396 4.723 20 0 JJADRN C[C@@H](CC(=O)N1CCN(C(=O)CC2CCCCC2)CC1)c1ccc(F)c(Br)c1 ZINC001360173500 1065065961 /nfs/dbraw/zinc/06/59/61/1065065961.db2.gz AITJFWNUGGNVBA-INIZCTEOSA-N 0 0 453.396 4.723 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC001435924872 1065066099 /nfs/dbraw/zinc/06/60/99/1065066099.db2.gz MVTZXQPEIZACMD-CQSZACIVSA-N 0 0 459.461 4.935 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C ZINC001360175116 1065066389 /nfs/dbraw/zinc/06/63/89/1065066389.db2.gz XRCGYKSFOQABGK-UHFFFAOYSA-N 0 0 455.942 4.837 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1F)c1cnn(-c2cccc(Br)c2)c1 ZINC001435925353 1065066647 /nfs/dbraw/zinc/06/66/47/1065066647.db2.gz RIKZNZAWHIOASC-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001360176883 1065067026 /nfs/dbraw/zinc/06/70/26/1065067026.db2.gz GVITUJRRMYGICZ-OALUTQOASA-N 0 0 481.563 4.609 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC001435927125 1065067056 /nfs/dbraw/zinc/06/70/56/1065067056.db2.gz VPWXCFNMUXZUPD-GFCCVEGCSA-N 0 0 456.178 4.679 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001435926049 1065067245 /nfs/dbraw/zinc/06/72/45/1065067245.db2.gz UFZCBOIZSLYZLJ-WSZRMNBISA-N 0 0 452.979 4.729 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(Br)cc(Br)c1 ZINC001360179494 1065067695 /nfs/dbraw/zinc/06/76/95/1065067695.db2.gz LFVLLQHCRGOWFE-UHFFFAOYSA-N 0 0 453.159 4.906 20 0 JJADRN C[C@@H](c1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)N1CCOCC1 ZINC001360179216 1065067779 /nfs/dbraw/zinc/06/77/79/1065067779.db2.gz ASHSLEBPZZXDOS-CVDCTZTESA-N 0 0 453.583 4.674 20 0 JJADRN C[C@H](c1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)N1CCOCC1 ZINC001360179218 1065067832 /nfs/dbraw/zinc/06/78/32/1065067832.db2.gz ASHSLEBPZZXDOS-XXBNENTESA-N 0 0 453.583 4.674 20 0 JJADRN Cc1cc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001360179342 1065067849 /nfs/dbraw/zinc/06/78/49/1065067849.db2.gz FUXLTBPFVWJTKK-QGZVFWFLSA-N 0 0 458.484 4.845 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ncc(C(=O)OCC)n1C ZINC001435931642 1065069177 /nfs/dbraw/zinc/06/91/77/1065069177.db2.gz PAYYIZYIWMMNPH-UHFFFAOYSA-N 0 0 451.310 4.763 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)CC2=O)cc1C ZINC001360182108 1065069303 /nfs/dbraw/zinc/06/93/03/1065069303.db2.gz DNMOSCLDQQKANP-GOSISDBHSA-N 0 0 453.970 4.575 20 0 JJADRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932639 1065069472 /nfs/dbraw/zinc/06/94/72/1065069472.db2.gz JHWSXWNZVQJTKH-CTNGQTDRSA-N 0 0 455.396 4.868 20 0 JJADRN C[C@H](CC(=O)Nc1cn2cc(Br)ncc2n1)c1ccc(F)c(Br)c1 ZINC001435933496 1065069998 /nfs/dbraw/zinc/06/99/98/1065069998.db2.gz HENJMFYKHDGEKU-SECBINFHSA-N 0 0 456.113 4.526 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1cnnn1-c1ccccc1Cl ZINC001435934184 1065070294 /nfs/dbraw/zinc/07/02/94/1065070294.db2.gz VANWCIXZGAPTMP-QGZVFWFLSA-N 0 0 459.775 4.824 20 0 JJADRN COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)c1cccc(CSc2cc(C)ccc2C)c1 ZINC001435933818 1065070332 /nfs/dbraw/zinc/07/03/32/1065070332.db2.gz QPAPEDWWYSCRFT-UHFFFAOYSA-N 0 0 452.532 4.749 20 0 JJADRN COc1ccc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cc1OC(F)F ZINC001435934785 1065071322 /nfs/dbraw/zinc/07/13/22/1065071322.db2.gz NZMINPXBHDWJMZ-HXUWFJFHSA-N 0 0 455.457 4.554 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)[C@H]1COc2ccc(Cl)cc2C1 ZINC001435936355 1065071594 /nfs/dbraw/zinc/07/15/94/1065071594.db2.gz HZEANPMZGFGERB-GFCCVEGCSA-N 0 0 459.565 4.733 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001360185612 1065071643 /nfs/dbraw/zinc/07/16/43/1065071643.db2.gz VMHWBNBFAFLMBY-SANMLTNESA-N 0 0 453.586 4.931 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360185213 1065071675 /nfs/dbraw/zinc/07/16/75/1065071675.db2.gz LKMMBYHNINMVPC-AWEZNQCLSA-N 0 0 450.329 4.847 20 0 JJADRN O=C(CCCOc1ccc2c(c1)OCO2)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001435936778 1065071825 /nfs/dbraw/zinc/07/18/25/1065071825.db2.gz FJKJMHLNGUBHDV-GOSISDBHSA-N 0 0 453.482 4.910 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC001360187429 1065072188 /nfs/dbraw/zinc/07/21/88/1065072188.db2.gz DICDFAJSPPCCOS-QFIPXVFZSA-N 0 0 458.940 4.928 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001360187437 1065072229 /nfs/dbraw/zinc/07/22/29/1065072229.db2.gz DKGGIBHIWDBTMV-MRXNPFEDSA-N 0 0 456.359 4.964 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CC1 ZINC001360188402 1065073193 /nfs/dbraw/zinc/07/31/93/1065073193.db2.gz QIZZAHPSKWWNLZ-PDIWNELESA-N 0 0 456.428 4.524 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC001360188797 1065073308 /nfs/dbraw/zinc/07/33/08/1065073308.db2.gz WJJUWICDCKJHOF-KRWDZBQOSA-N 0 0 454.974 4.584 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC001435939954 1065073585 /nfs/dbraw/zinc/07/35/85/1065073585.db2.gz HJPLCJQBXCCPRE-HSZRJFAPSA-N 0 0 456.539 4.538 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360189365 1065073717 /nfs/dbraw/zinc/07/37/17/1065073717.db2.gz TUOPLCJDXRAGET-IRFCIJBXSA-N 0 0 475.584 4.598 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2ccccc2Br)CC1 ZINC001435940060 1065073687 /nfs/dbraw/zinc/07/36/87/1065073687.db2.gz BJMBVVSHAVHYHW-UHFFFAOYSA-N 0 0 450.760 4.822 20 0 JJADRN Cc1ccc(SC2(C(=O)N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CCCC2)cc1 ZINC001435939703 1065073748 /nfs/dbraw/zinc/07/37/48/1065073748.db2.gz DSZZQGZEORZSGZ-QFIPXVFZSA-N 0 0 458.574 4.986 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001360189994 1065074173 /nfs/dbraw/zinc/07/41/73/1065074173.db2.gz IIQFKMXSZSQVLR-KKXDTOCCSA-N 0 0 459.999 4.514 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cc(F)cc(Br)c1 ZINC001435941480 1065074564 /nfs/dbraw/zinc/07/45/64/1065074564.db2.gz JPTRHEKKXCIPHR-KXBFYZLASA-N 0 0 457.347 4.677 20 0 JJADRN O=C(COc1ccccc1Br)N1CCC(c2ccccc2Br)CC1 ZINC001435941709 1065074587 /nfs/dbraw/zinc/07/45/87/1065074587.db2.gz LTUHVGCQUHRGKE-UHFFFAOYSA-N 0 0 453.174 4.997 20 0 JJADRN CC1(C)CC[C@@H](C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC001360190277 1065074577 /nfs/dbraw/zinc/07/45/77/1065074577.db2.gz QPYFGPVURKLNGD-NHCUHLMSSA-N 0 0 451.592 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001435943051 1065075017 /nfs/dbraw/zinc/07/50/17/1065075017.db2.gz PBFJSPJIMYBOSB-OAHLLOKOSA-N 0 0 453.402 4.722 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360190830 1065075113 /nfs/dbraw/zinc/07/51/13/1065075113.db2.gz GFRZEXQRWHBYQD-MXEMCNAFSA-N 0 0 459.679 4.805 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C(F)(F)F ZINC001545894344 1065075141 /nfs/dbraw/zinc/07/51/41/1065075141.db2.gz UVSXMKKEOODCAQ-UHFFFAOYSA-N 0 0 451.537 4.890 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001360192145 1065075643 /nfs/dbraw/zinc/07/56/43/1065075643.db2.gz OZTXSSCNJOHVMZ-OFVILXPXSA-N 0 0 458.558 4.677 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1cc(F)cc(Br)c1 ZINC001435944047 1065075764 /nfs/dbraw/zinc/07/57/64/1065075764.db2.gz WBQSJOYABKTEFI-WBVHZDCISA-N 0 0 457.137 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001545894370 1065075770 /nfs/dbraw/zinc/07/57/70/1065075770.db2.gz VKPCJCLCVZEUNF-QHCPKHFHSA-N 0 0 495.716 4.893 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360193008 1065076352 /nfs/dbraw/zinc/07/63/52/1065076352.db2.gz MGRCFZSMMAXXML-UHFFFAOYSA-N 0 0 491.558 4.784 20 0 JJADRN C[C@H]1CCCCCN1C(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001435947327 1065076792 /nfs/dbraw/zinc/07/67/92/1065076792.db2.gz ALLSMYAMKNEKAJ-LBPRGKRZSA-N 0 0 458.727 4.663 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360194740 1065076770 /nfs/dbraw/zinc/07/67/70/1065076770.db2.gz LKKGIDKVJHWCME-QHGAOEGBSA-N 0 0 490.693 4.543 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001360196896 1065076904 /nfs/dbraw/zinc/07/69/04/1065076904.db2.gz FYSDTXXLAMFNEH-NRFANRHFSA-N 0 0 459.512 4.521 20 0 JJADRN O=C(c1cc(COc2c(Cl)cccc2Cl)on1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001435948361 1065076997 /nfs/dbraw/zinc/07/69/97/1065076997.db2.gz XUSSELYCYOASJN-UHFFFAOYSA-N 0 0 451.228 4.544 20 0 JJADRN CN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360197511 1065077127 /nfs/dbraw/zinc/07/71/27/1065077127.db2.gz KLOIBJMSKPCTJU-MRXNPFEDSA-N 0 0 454.739 4.686 20 0 JJADRN Cn1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2ccc(Cl)s2)n1 ZINC001360198159 1065077218 /nfs/dbraw/zinc/07/72/18/1065077218.db2.gz QRFNZWBRQLYMPA-ZDUSSCGKSA-N 0 0 454.905 4.830 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1)c1ccccc1 ZINC001360196981 1065077357 /nfs/dbraw/zinc/07/73/57/1065077357.db2.gz GRYMGMIVGPZEJS-NRFANRHFSA-N 0 0 453.464 4.966 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3CCCCC[C@H]3C)cc2)cc1C ZINC001435949064 1065077449 /nfs/dbraw/zinc/07/74/49/1065077449.db2.gz JXEAICUECLKMRM-NHCUHLMSSA-N 0 0 458.624 4.687 20 0 JJADRN CCN(C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1cccc(Cl)c1Cl ZINC001435948692 1065077592 /nfs/dbraw/zinc/07/75/92/1065077592.db2.gz XVFDOVDLOJZVOQ-ZDUSSCGKSA-N 0 0 453.370 4.996 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360200780 1065078005 /nfs/dbraw/zinc/07/80/05/1065078005.db2.gz JELAHOFHGPVZEC-JYJNAYRXSA-N 0 0 463.495 4.582 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC34CCCCC4)cc2c1 ZINC001360201944 1065078694 /nfs/dbraw/zinc/07/86/94/1065078694.db2.gz JDMNCWKJCXEYDQ-UHFFFAOYSA-N 0 0 453.583 4.948 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3nc4ccccc4o3)CC2)n1CCCC(C)(C)C ZINC001360201350 1065078727 /nfs/dbraw/zinc/07/87/27/1065078727.db2.gz RWMPAIPQIRYCNW-UHFFFAOYSA-N 0 0 452.603 4.768 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)c2C(=O)OC(C)(C)C)C1 ZINC001435952532 1065078860 /nfs/dbraw/zinc/07/88/60/1065078860.db2.gz XOFMQZDVHGBTQD-AWEZNQCLSA-N 0 0 454.592 4.894 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001435953021 1065079026 /nfs/dbraw/zinc/07/90/26/1065079026.db2.gz DPHZHIVFAJVJGI-NHCUHLMSSA-N 0 0 457.412 4.781 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC001360203326 1065079061 /nfs/dbraw/zinc/07/90/61/1065079061.db2.gz YDMKDRMUHKVOAZ-JKOKRWQUSA-N 0 0 451.778 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)C2(CCCCC2)C1 ZINC001360202466 1065079124 /nfs/dbraw/zinc/07/91/24/1065079124.db2.gz YHLLVCISRDAPOG-UHFFFAOYSA-N 0 0 456.631 4.858 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc2ncsc2c1 ZINC001435954657 1065079479 /nfs/dbraw/zinc/07/94/79/1065079479.db2.gz GHRZYKJJQMIEEB-FOIQADDNSA-N 0 0 453.633 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001360205209 1065079522 /nfs/dbraw/zinc/07/95/22/1065079522.db2.gz GLVKJKCPVYLCHK-GFCCVEGCSA-N 0 0 450.935 4.662 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001435955250 1065079865 /nfs/dbraw/zinc/07/98/65/1065079865.db2.gz DTOHLLAOYPBFNT-UHFFFAOYSA-N 0 0 455.461 4.824 20 0 JJADRN COc1ccccc1CCN(C)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001360205944 1065080049 /nfs/dbraw/zinc/08/00/49/1065080049.db2.gz PMRMRACSILRGQY-UHFFFAOYSA-N 0 0 455.601 4.565 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccn(CCC(F)(F)F)n1 ZINC001360209466 1065081334 /nfs/dbraw/zinc/08/13/34/1065081334.db2.gz VHYQVSPXMKRVCS-UHFFFAOYSA-N 0 0 458.362 4.972 20 0 JJADRN COc1cc(CCC(=O)N2CCN(C3CC3)c3cc(F)ccc32)ccc1OCC(F)(F)F ZINC001435958288 1065082096 /nfs/dbraw/zinc/08/20/96/1065082096.db2.gz GIVQCLJNUQAOSZ-UHFFFAOYSA-N 0 0 452.448 4.724 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)cc1 ZINC001435958611 1065082147 /nfs/dbraw/zinc/08/21/47/1065082147.db2.gz ZFLRVHVJELFBAS-NRFANRHFSA-N 0 0 454.636 4.914 20 0 JJADRN O=C([C@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CCCN(c2ncccc2F)CC1 ZINC001435964278 1065084217 /nfs/dbraw/zinc/08/42/17/1065084217.db2.gz XTCPODJRYCZUQD-JOCHJYFZSA-N 0 0 457.908 4.872 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001360216818 1065084745 /nfs/dbraw/zinc/08/47/45/1065084745.db2.gz VMRZUFXBINQWGT-CQSZACIVSA-N 0 0 488.608 4.621 20 0 JJADRN O=C(Oc1ccc(Br)c(F)c1)c1cc(I)c(F)cc1F ZINC001360217684 1065085066 /nfs/dbraw/zinc/08/50/66/1065085066.db2.gz UVDMVSVBLRWUNM-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCc1ccc(C)cc1C ZINC001545894594 1065085252 /nfs/dbraw/zinc/08/52/52/1065085252.db2.gz ZRCPHLCDAPSPPU-IBGZPJMESA-N 0 0 465.564 4.835 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001435968533 1065085880 /nfs/dbraw/zinc/08/58/80/1065085880.db2.gz QDJGSTGTMRJUJD-NUJGCVRESA-N 0 0 455.860 4.633 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1cccc(-n2cncn2)n1 ZINC001360220713 1065086079 /nfs/dbraw/zinc/08/60/79/1065086079.db2.gz QJYKDHDAYXOGLV-UHFFFAOYSA-N 0 0 455.562 4.829 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001435968867 1065086150 /nfs/dbraw/zinc/08/61/50/1065086150.db2.gz CHXDWICPBPSNOK-IBGZPJMESA-N 0 0 451.158 4.873 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cccc(N2C(=O)CCC2=O)c1 ZINC001360220930 1065086212 /nfs/dbraw/zinc/08/62/12/1065086212.db2.gz YCENYOLPOIGWMW-HSZRJFAPSA-N 0 0 454.860 4.791 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@@H]1CC(c3cccc(Cl)c3F)=NO1)CC2 ZINC001435970977 1065086758 /nfs/dbraw/zinc/08/67/58/1065086758.db2.gz PPBWHVYIJOGGHM-SFHVURJKSA-N 0 0 459.905 4.908 20 0 JJADRN O=C(Nc1ccc(C(=O)NCC2(CCOCc3ccccc3)CC2)cc1)OCC(F)(F)F ZINC001435973205 1065087658 /nfs/dbraw/zinc/08/76/58/1065087658.db2.gz CPJOHEUQKDILGZ-UHFFFAOYSA-N 0 0 450.457 4.914 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccc(F)cc2Cl)cc1 ZINC001360225288 1065087994 /nfs/dbraw/zinc/08/79/94/1065087994.db2.gz SAUDNYMVTXHZIO-NRFANRHFSA-N 0 0 457.933 4.996 20 0 JJADRN Cc1ccc(Sc2c(Cl)cccc2NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)cc1 ZINC001360225456 1065088613 /nfs/dbraw/zinc/08/86/13/1065088613.db2.gz SZACTPHBVHWLOZ-UHFFFAOYSA-N 0 0 458.971 4.985 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)[C@H](C(C)C)S(=O)(=O)C3CCCCC3)c2o1 ZINC001435975580 1065088711 /nfs/dbraw/zinc/08/87/11/1065088711.db2.gz LIZRBHRYBAQQGW-SFHVURJKSA-N 0 0 457.390 4.609 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001360226095 1065088955 /nfs/dbraw/zinc/08/89/55/1065088955.db2.gz GQXRYRMWTWYHHI-UXHICEINSA-N 0 0 487.073 4.776 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)C34CCC(CC3)N4C(=O)OC(C)(C)C)c2o1 ZINC001435976338 1065089027 /nfs/dbraw/zinc/08/90/27/1065089027.db2.gz QKPFJYLBNRADBN-UHFFFAOYSA-N 0 0 450.333 4.769 20 0 JJADRN COc1cc(N(C)C(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)cc(OC)c1OC ZINC001360225716 1065089182 /nfs/dbraw/zinc/08/91/82/1065089182.db2.gz WTDYYRXPPQIBPV-UHFFFAOYSA-N 0 0 457.527 4.615 20 0 JJADRN CCOC(=O)C1(CNC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc32)CC1 ZINC001435975876 1065089124 /nfs/dbraw/zinc/08/91/24/1065089124.db2.gz UPOVOCSYMUKQEX-UHFFFAOYSA-N 0 0 453.336 4.737 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC001435977154 1065089632 /nfs/dbraw/zinc/08/96/32/1065089632.db2.gz USDOZKNDMPSGCQ-LEWJYISDSA-N 0 0 458.396 4.989 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1ccccc1Br ZINC001360227227 1065089592 /nfs/dbraw/zinc/08/95/92/1065089592.db2.gz LTGPUAPWSSIUON-QHCPKHFHSA-N 0 0 472.431 4.554 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)c2o1 ZINC001435978665 1065090061 /nfs/dbraw/zinc/09/00/61/1065090061.db2.gz ZTXRRYGUEMZDSU-UHFFFAOYSA-N 0 0 452.308 4.811 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001360228169 1065090642 /nfs/dbraw/zinc/09/06/42/1065090642.db2.gz LOEKFSNFNQHENQ-UHFFFAOYSA-N 0 0 451.548 4.656 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)OC(C)C ZINC001435979115 1065090819 /nfs/dbraw/zinc/09/08/19/1065090819.db2.gz VLWIGFXWSZNFNL-DEOSSOPVSA-N 0 0 450.510 4.983 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCCO[C@@H](C)c1ccccc1 ZINC001360228349 1065091156 /nfs/dbraw/zinc/09/11/56/1065091156.db2.gz VIOIZZFKZKNTSJ-SIKLNZKXSA-N 0 0 467.639 4.987 20 0 JJADRN CC(C)OC[C@H](OC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1cccc(F)c1 ZINC001435981718 1065091684 /nfs/dbraw/zinc/09/16/84/1065091684.db2.gz YPIGAADTXXERRS-FXSPECFOSA-N 0 0 455.526 4.884 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@H]4CCC[C@@H](C(C)C)CC4)cnc32)c(OC)c1 ZINC001435981869 1065091714 /nfs/dbraw/zinc/09/17/14/1065091714.db2.gz QLHXEKNZQOFDGK-GCJKJVERSA-N 0 0 450.583 4.832 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(NC(C)C)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360230990 1065091894 /nfs/dbraw/zinc/09/18/94/1065091894.db2.gz BZPAWPIKHMPAPK-CJFMBICVSA-N 0 0 450.627 4.528 20 0 JJADRN COc1cc(-c2cc(C(=O)NCC3CCSCC3)c3ccccc3n2)cc(OC)c1OC ZINC001360231181 1065091906 /nfs/dbraw/zinc/09/19/06/1065091906.db2.gz GWDQTHIMNPXAEK-UHFFFAOYSA-N 0 0 452.576 4.801 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)nc1Br ZINC001435983426 1065091978 /nfs/dbraw/zinc/09/19/78/1065091978.db2.gz FGIATEZRNFVEFT-ZDUSSCGKSA-N 0 0 455.736 4.706 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)NCCc3ccc(Br)cc3F)CCCC2)c1 ZINC001360232194 1065092321 /nfs/dbraw/zinc/09/23/21/1065092321.db2.gz YZFQABMSNPOYQG-UHFFFAOYSA-N 0 0 450.348 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)C1 ZINC001435983802 1065092433 /nfs/dbraw/zinc/09/24/33/1065092433.db2.gz FZOWBCPBQKILBF-SFHVURJKSA-N 0 0 455.599 4.742 20 0 JJADRN CCOc1ccc(CCC(=O)Nc2nc3ccc(I)cc3s2)cc1 ZINC001435984051 1065092474 /nfs/dbraw/zinc/09/24/74/1065092474.db2.gz DTEKRPCPWIATEA-UHFFFAOYSA-N 0 0 452.317 4.871 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001435985556 1065092983 /nfs/dbraw/zinc/09/29/83/1065092983.db2.gz JIGPIVUCFHJQRF-IYBDPMFKSA-N 0 0 454.995 4.997 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435986745 1065093251 /nfs/dbraw/zinc/09/32/51/1065093251.db2.gz NKVJMPBIQWMLNH-HNNXBMFYSA-N 0 0 455.393 4.501 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001435986189 1065093361 /nfs/dbraw/zinc/09/33/61/1065093361.db2.gz VZGCYCIHFCTGLW-UHFFFAOYSA-N 0 0 455.194 4.582 20 0 JJADRN O=C(COC(=O)Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(F)(F)F)cc1 ZINC001360233348 1065093483 /nfs/dbraw/zinc/09/34/83/1065093483.db2.gz JGZAXPLWGIPBBM-UHFFFAOYSA-N 0 0 459.449 4.806 20 0 JJADRN Cc1ccc([C@H]2CCC[C@@H]2OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC001435986442 1065093688 /nfs/dbraw/zinc/09/36/88/1065093688.db2.gz WVCADWLVSZHURV-XLIONFOSSA-N 0 0 456.336 4.623 20 0 JJADRN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1)C2=O ZINC001360235388 1065093825 /nfs/dbraw/zinc/09/38/25/1065093825.db2.gz AJFBWMGDVSEOOF-YRRZUFETSA-N 0 0 453.627 4.869 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@H](CC3CCCCC3)c3ccccc3)CC2=O)c(OC)c1 ZINC001360233841 1065093838 /nfs/dbraw/zinc/09/38/38/1065093838.db2.gz SBQQUCUXMCFYPM-JTHBVZDNSA-N 0 0 450.579 4.885 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001435987246 1065094303 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WTNAPUCKMMMQGT-FQEVSTJZSA-N 0 0 454.958 4.667 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)[nH]c(=O)c2c1C ZINC001435987776 1065094779 /nfs/dbraw/zinc/09/47/79/1065094779.db2.gz YTGRNWWTMFWMDW-BPQIPLTHSA-N 0 0 457.621 4.672 20 0 JJADRN C[C@@H](CC(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001435988203 1065095075 /nfs/dbraw/zinc/09/50/75/1065095075.db2.gz RMOLQRZZGPZPSE-LBPRGKRZSA-N 0 0 454.388 4.776 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC001360239247 1065095091 /nfs/dbraw/zinc/09/50/91/1065095091.db2.gz OXIFGOFFFXNDRT-OAQYLSRUSA-N 0 0 452.979 4.781 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC001360239246 1065095293 /nfs/dbraw/zinc/09/52/93/1065095293.db2.gz OXIFGOFFFXNDRT-NRFANRHFSA-N 0 0 452.979 4.781 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001435989006 1065095497 /nfs/dbraw/zinc/09/54/97/1065095497.db2.gz RIWDFXGFDNZRKO-UOKFIYJESA-N 0 0 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CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC001436028648 1065124101 /nfs/dbraw/zinc/12/41/01/1065124101.db2.gz HRWMOBWJPTTYQU-AVRDEDQJSA-N 0 0 456.558 4.976 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001360285246 1065124250 /nfs/dbraw/zinc/12/42/50/1065124250.db2.gz AGBNTSFXSPFYCG-KXBFYZLASA-N 0 0 478.410 4.530 20 0 JJADRN C[S@@](=O)Cc1cc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)ccc1Cl ZINC001360285117 1065124296 /nfs/dbraw/zinc/12/42/96/1065124296.db2.gz WOHOKNCGWOHROL-WJOKGBTCSA-N 0 0 457.979 4.858 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cnn(C(C)(C)C)c1I ZINC001360286541 1065124839 /nfs/dbraw/zinc/12/48/39/1065124839.db2.gz KJGANJQMNSBBRO-AWEZNQCLSA-N 0 0 459.759 4.647 20 0 JJADRN O=C(NC[C@@H]1OCCc2ccccc21)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001360286572 1065124891 /nfs/dbraw/zinc/12/48/91/1065124891.db2.gz KYLOITGSYYMCQL-XZOQPEGZSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001360287088 1065125605 /nfs/dbraw/zinc/12/56/05/1065125605.db2.gz AFVOHQFSDBYZPX-OAHLLOKOSA-N 0 0 494.865 4.902 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(Cc1ccccc1F)C1CC1 ZINC001360287517 1065126211 /nfs/dbraw/zinc/12/62/11/1065126211.db2.gz OSOQWMFJZIEUBK-UHFFFAOYSA-N 0 0 492.418 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2Cl)[C@@H](c2ccncc2)C1 ZINC001436031734 1065127980 /nfs/dbraw/zinc/12/79/80/1065127980.db2.gz AWHHFUPCXFBDRN-GOSISDBHSA-N 0 0 450.366 4.752 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N(C)CCOc1ccc(OCc3ccccc3)cc1)C2 ZINC001360293642 1065128204 /nfs/dbraw/zinc/12/82/04/1065128204.db2.gz NLXNWNJYJJTDAQ-MUUNZHRXSA-N 0 0 459.542 4.583 20 0 JJADRN COC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001360293413 1065128321 /nfs/dbraw/zinc/12/83/21/1065128321.db2.gz HJPABELCIYQCEF-NRFANRHFSA-N 0 0 454.452 4.865 20 0 JJADRN O=C([C@H]1CC(=O)Nc2ccccc21)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001436032025 1065128786 /nfs/dbraw/zinc/12/87/86/1065128786.db2.gz VHUUZWIPQRNFQJ-KRWDZBQOSA-N 0 0 454.299 4.642 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1OC ZINC001360293838 1065128884 /nfs/dbraw/zinc/12/88/84/1065128884.db2.gz UTYPYTAXJSHMKY-LBPRGKRZSA-N 0 0 453.445 4.985 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001360295440 1065128894 /nfs/dbraw/zinc/12/88/94/1065128894.db2.gz CFLYKVDZRMXVKP-NRFANRHFSA-N 0 0 495.693 4.952 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N(CCCCOC)c1ccc(Br)cn1 ZINC001436032779 1065129290 /nfs/dbraw/zinc/12/92/90/1065129290.db2.gz LPOGFNHLHFCMAN-UHFFFAOYSA-N 0 0 455.780 4.899 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001360296099 1065129484 /nfs/dbraw/zinc/12/94/84/1065129484.db2.gz YLTXPUMQAQZDGC-INIZCTEOSA-N 0 0 480.440 4.705 20 0 JJADRN CO[C@H](C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001436032958 1065129853 /nfs/dbraw/zinc/12/98/53/1065129853.db2.gz KXWCCCXKDPHAAY-AVRDEDQJSA-N 0 0 456.505 4.643 20 0 JJADRN CC[C@@H](Sc1ccccc1)C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC001436032969 1065130005 /nfs/dbraw/zinc/13/00/05/1065130005.db2.gz YSDPRHRFXFYGRV-QGZVFWFLSA-N 0 0 455.443 4.546 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001436032974 1065130015 /nfs/dbraw/zinc/13/00/15/1065130015.db2.gz YTMROYPZRLIQKM-UHFFFAOYSA-N 0 0 459.363 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](c2ccncc2)C1 ZINC001436033757 1065130551 /nfs/dbraw/zinc/13/05/51/1065130551.db2.gz NXQHAJAIYZKTPR-GOSISDBHSA-N 0 0 453.436 4.674 20 0 JJADRN O=C(CSc1nc2ccccc2s1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360297654 1065131639 /nfs/dbraw/zinc/13/16/39/1065131639.db2.gz YNUVLFHNJZMOLH-CYBMUJFWSA-N 0 0 453.511 4.682 20 0 JJADRN O=C(CCNC(=O)c1ccc(F)cc1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC001360300189 1065132973 /nfs/dbraw/zinc/13/29/73/1065132973.db2.gz HUHQFFTZLGIHPS-UHFFFAOYSA-N 0 0 454.346 4.532 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001360300311 1065133057 /nfs/dbraw/zinc/13/30/57/1065133057.db2.gz LIJIJDWMHUUTGQ-GTJUCTONSA-N 0 0 450.535 4.515 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)C(C)(C)C ZINC001436038366 1065133524 /nfs/dbraw/zinc/13/35/24/1065133524.db2.gz JUOPXUABAIJKNT-CYBMUJFWSA-N 0 0 451.764 4.911 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cccn2ncc(Br)c12 ZINC001360300592 1065133597 /nfs/dbraw/zinc/13/35/97/1065133597.db2.gz UEHUFFGHQMSVMS-NDEPHWFRSA-N 0 0 454.349 4.657 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3c4ccc(Br)cc4nn3C)c2)cn1 ZINC001436039340 1065134318 /nfs/dbraw/zinc/13/43/18/1065134318.db2.gz UXBDMLUBEBAHGX-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)C(C)(C)C ZINC001436039221 1065134366 /nfs/dbraw/zinc/13/43/66/1065134366.db2.gz RDVWTYJMIGDSKR-HXUWFJFHSA-N 0 0 458.578 4.559 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)cc1 ZINC001360301725 1065134383 /nfs/dbraw/zinc/13/43/83/1065134383.db2.gz GGHYCEUBGYSQNV-FQEVSTJZSA-N 0 0 460.573 4.851 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001360300744 1065134440 /nfs/dbraw/zinc/13/44/40/1065134440.db2.gz YNGGKUQCFGVLQX-RYUDHWBXSA-N 0 0 456.431 4.857 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(C)c(N3CCOCC3)c2)cc1 ZINC001360302366 1065134895 /nfs/dbraw/zinc/13/48/95/1065134895.db2.gz BJHQQCXHJPEKKQ-AZGAKELHSA-N 0 0 452.595 4.740 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](C(C)C)C2)cc1 ZINC001360302135 1065134998 /nfs/dbraw/zinc/13/49/98/1065134998.db2.gz UCHUBXZFVHLFMC-QFIPXVFZSA-N 0 0 461.614 4.791 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC001360302322 1065135004 /nfs/dbraw/zinc/13/50/04/1065135004.db2.gz ABGLCRXMJRQOAV-QGZVFWFLSA-N 0 0 451.430 4.995 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC001360302394 1065135043 /nfs/dbraw/zinc/13/50/43/1065135043.db2.gz BYIXRZMLIAPZKE-NHCUHLMSSA-N 0 0 459.612 4.575 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F ZINC001436040310 1065135042 /nfs/dbraw/zinc/13/50/42/1065135042.db2.gz JNPGBNSKJHSCPS-DEOSSOPVSA-N 0 0 459.464 4.905 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(N3CCOCC3)c(C)c2)cc1 ZINC001360302417 1065135686 /nfs/dbraw/zinc/13/56/86/1065135686.db2.gz CSPFVFGTLYHIFX-AZGAKELHSA-N 0 0 452.595 4.740 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)CC2)c1 ZINC001436042044 1065136395 /nfs/dbraw/zinc/13/63/95/1065136395.db2.gz DDIUTFLDXRVXBA-OAQYLSRUSA-N 0 0 452.929 4.586 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c12 ZINC001436042313 1065136409 /nfs/dbraw/zinc/13/64/09/1065136409.db2.gz AKJRCSWNDAYQDV-IBGZPJMESA-N 0 0 456.587 4.818 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001360303842 1065137096 /nfs/dbraw/zinc/13/70/96/1065137096.db2.gz ADQGQXKVEQWDMC-VQIMIIECSA-N 0 0 496.578 4.601 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c2)c(C)c1 ZINC001436042826 1065137286 /nfs/dbraw/zinc/13/72/86/1065137286.db2.gz DSZXXLINWWWGSE-QFIPXVFZSA-N 0 0 453.583 4.831 20 0 JJADRN CCc1nc2cc(CNC(=O)c3cc(OC)c(Br)c(OC)c3)ccc2n1C1CC1 ZINC001436042978 1065137314 /nfs/dbraw/zinc/13/73/14/1065137314.db2.gz YWEARQYYXJKWAQ-UHFFFAOYSA-N 0 0 458.356 4.643 20 0 JJADRN CCc1nc2cc(CNC(=O)CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2n1C1CC1 ZINC001436042848 1065137347 /nfs/dbraw/zinc/13/73/47/1065137347.db2.gz WKEOJAXVFHMPCB-GOSISDBHSA-N 0 0 454.615 4.977 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CCC=C(Br)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436043326 1065138047 /nfs/dbraw/zinc/13/80/47/1065138047.db2.gz WLNIGRPEYONFQH-OAHLLOKOSA-N 0 0 458.784 4.510 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1F ZINC001436044172 1065138659 /nfs/dbraw/zinc/13/86/59/1065138659.db2.gz OXLIGOUIVAMQRK-UHFFFAOYSA-N 0 0 455.442 4.832 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001360305161 1065139466 /nfs/dbraw/zinc/13/94/66/1065139466.db2.gz XFBSMWZFFXQZSC-OAQYLSRUSA-N 0 0 454.619 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3cccc(Cl)c3F)no2)C(C)(C)C1 ZINC001436044847 1065139916 /nfs/dbraw/zinc/13/99/16/1065139916.db2.gz WMORGDXWJHQRSF-KRWDZBQOSA-N 0 0 451.926 4.900 20 0 JJADRN O=C(NCc1ccncc1OCC(F)(F)F)c1cc(C(F)(F)F)ccc1Br ZINC001436045416 1065140729 /nfs/dbraw/zinc/14/07/29/1065140729.db2.gz UFDAUROOGGPUID-UHFFFAOYSA-N 0 0 457.168 4.734 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3O[C@H](C)c3ccccc3)CC2=O)cc1 ZINC001360306925 1065141952 /nfs/dbraw/zinc/14/19/52/1065141952.db2.gz IDJNFLBWBLEMHG-WIYYLYMNSA-N 0 0 457.530 4.777 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC001436049287 1065143116 /nfs/dbraw/zinc/14/31/16/1065143116.db2.gz PADFFISFJOVBBQ-CYBMUJFWSA-N 0 0 457.821 4.502 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001360307846 1065143137 /nfs/dbraw/zinc/14/31/37/1065143137.db2.gz ZXNJPDMKNFEQDL-UHFFFAOYSA-N 0 0 455.518 4.821 20 0 JJADRN COc1cc(CC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc(OC)c1OC ZINC001436049079 1065143212 /nfs/dbraw/zinc/14/32/12/1065143212.db2.gz VLVJFGPZIBJMON-UHFFFAOYSA-N 0 0 455.448 4.761 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001436051721 1065145167 /nfs/dbraw/zinc/14/51/67/1065145167.db2.gz LAUYGTMCARQIFV-QHCPKHFHSA-N 0 0 450.551 4.804 20 0 JJADRN CC(C)C[C@@H](C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC001436051146 1065145255 /nfs/dbraw/zinc/14/52/55/1065145255.db2.gz WBYDTPLYYJGLQD-GOSISDBHSA-N 0 0 457.423 4.608 20 0 JJADRN CC(C)C[C@H](C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC001436051148 1065145448 /nfs/dbraw/zinc/14/54/48/1065145448.db2.gz WBYDTPLYYJGLQD-SFHVURJKSA-N 0 0 457.423 4.608 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC001436052156 1065146037 /nfs/dbraw/zinc/14/60/37/1065146037.db2.gz PHSPSOLBWXOANO-UHFFFAOYSA-N 0 0 452.511 4.538 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001436052721 1065146069 /nfs/dbraw/zinc/14/60/69/1065146069.db2.gz ILHZMPVQKQLTAQ-RDVQEIBISA-N 0 0 450.417 4.867 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001360311124 1065147821 /nfs/dbraw/zinc/14/78/21/1065147821.db2.gz OYWCIHWIJGJXFV-JBACZVJFSA-N 0 0 459.587 4.782 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1sc2ccccc2c1Br ZINC001436055218 1065148050 /nfs/dbraw/zinc/14/80/50/1065148050.db2.gz FBQMWLJVUHJZJK-MRXNPFEDSA-N 0 0 459.365 4.834 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001436055222 1065148127 /nfs/dbraw/zinc/14/81/27/1065148127.db2.gz FECMGUAZXGHTLJ-UHFFFAOYSA-N 0 0 453.970 4.796 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001436056256 1065148767 /nfs/dbraw/zinc/14/87/67/1065148767.db2.gz ZUFPLYLYPUXABN-CYBMUJFWSA-N 0 0 456.306 4.517 20 0 JJADRN C[C@H](Cc1ccco1)C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360312844 1065149406 /nfs/dbraw/zinc/14/94/06/1065149406.db2.gz CHRHSSWPZZBHSO-QGZVFWFLSA-N 0 0 456.539 4.653 20 0 JJADRN Cc1cc(=O)c(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001360317247 1065150473 /nfs/dbraw/zinc/15/04/73/1065150473.db2.gz MXTMJLKWGTTYHO-SFHVURJKSA-N 0 0 454.807 4.664 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001360317115 1065150586 /nfs/dbraw/zinc/15/05/86/1065150586.db2.gz IEATYOHFXGNOAX-LJQANCHMSA-N 0 0 452.860 4.773 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1-c1ccccc1 ZINC001436057970 1065150572 /nfs/dbraw/zinc/15/05/72/1065150572.db2.gz ZYASZTWAFAKBSK-LJQANCHMSA-N 0 0 453.384 4.902 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2cc3c(cc2Br)CCC3)cs1 ZINC001436058493 1065150607 /nfs/dbraw/zinc/15/06/07/1065150607.db2.gz WGHBVOLDSFBBTC-UHFFFAOYSA-N 0 0 452.374 4.671 20 0 JJADRN CCCc1sc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1Br ZINC001436059299 1065151246 /nfs/dbraw/zinc/15/12/46/1065151246.db2.gz OWOICIQTOGNHOH-UHFFFAOYSA-N 0 0 457.821 4.883 20 0 JJADRN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(N2CCCCCC2)nc1 ZINC001360318241 1065152129 /nfs/dbraw/zinc/15/21/29/1065152129.db2.gz JKTDOTHAKPCJRM-UHFFFAOYSA-N 0 0 454.315 4.756 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl ZINC001436060899 1065152708 /nfs/dbraw/zinc/15/27/08/1065152708.db2.gz COBBFWLIKABIBM-GOSISDBHSA-N 0 0 451.972 4.876 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1sc(Cl)nc1C(F)(F)F ZINC001360318889 1065152899 /nfs/dbraw/zinc/15/28/99/1065152899.db2.gz YPDVHTRILVQJDQ-UHFFFAOYSA-N 0 0 450.891 4.532 20 0 JJADRN CSc1ccc(/C=C\C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)s1 ZINC001436061907 1065153384 /nfs/dbraw/zinc/15/33/84/1065153384.db2.gz HTVGQVVXHVTNJA-UTCJRWHESA-N 0 0 455.418 4.729 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[C@@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360319375 1065153493 /nfs/dbraw/zinc/15/34/93/1065153493.db2.gz HCYCCULSJNGMHY-AVJFOWIRSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@@](C)(O)c2ccsc2)CCOC1 ZINC001360319732 1065154080 /nfs/dbraw/zinc/15/40/80/1065154080.db2.gz MIFBSSHSVOARCX-PISWEHOVSA-N 0 0 488.629 4.624 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2ccc(F)cc2F)CCOC1 ZINC001360319566 1065154090 /nfs/dbraw/zinc/15/40/90/1065154090.db2.gz KCNOPUXEKMMFHT-QMHKHESXSA-N 0 0 462.566 4.904 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@@](C)(O)c2ccsc2)CCOC1 ZINC001360319734 1065154101 /nfs/dbraw/zinc/15/41/01/1065154101.db2.gz MIFBSSHSVOARCX-ZYKLXPEUSA-N 0 0 488.629 4.624 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2ccc(F)cc2F)CCOC1 ZINC001360319564 1065154121 /nfs/dbraw/zinc/15/41/21/1065154121.db2.gz KCNOPUXEKMMFHT-HJPURHCSSA-N 0 0 462.566 4.904 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CC(C)(C)Oc4ccccc43)c2)C1 ZINC001436063177 1065154097 /nfs/dbraw/zinc/15/40/97/1065154097.db2.gz MMMVNWHREWKPCF-PMAPCBKXSA-N 0 0 457.592 4.812 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H]2CCSC2(C)C)CCOC1 ZINC001360319661 1065154157 /nfs/dbraw/zinc/15/41/57/1065154157.db2.gz LMAYUDPFUXDFGT-JVFUWBCBSA-N 0 0 474.671 4.753 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360319818 1065154875 /nfs/dbraw/zinc/15/48/75/1065154875.db2.gz NQPDFZKHGCHIKD-IUKKYPGJSA-N 0 0 464.557 4.657 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001360319879 1065154918 /nfs/dbraw/zinc/15/49/18/1065154918.db2.gz OEMBHMDCXXIRKK-KOSHJBKYSA-N 0 0 489.542 4.978 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc(Br)c4ccccc4c3)c2)C1=O ZINC001436063695 1065154889 /nfs/dbraw/zinc/15/48/89/1065154889.db2.gz XRVZLZGNSAJXJK-UHFFFAOYSA-N 0 0 452.308 4.689 20 0 JJADRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 ZINC001436065369 1065155728 /nfs/dbraw/zinc/15/57/28/1065155728.db2.gz VIVFAHVDABDNSE-JOCHJYFZSA-N 0 0 450.901 4.513 20 0 JJADRN C[C@@]1(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1(Br)Br ZINC001436064943 1065155739 /nfs/dbraw/zinc/15/57/39/1065155739.db2.gz KCNHQLSHDPFFBR-KRWDZBQOSA-N 0 0 453.178 4.721 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccco3)n2CCc2c(F)cccc2F)CCOC1 ZINC001360320372 1065156291 /nfs/dbraw/zinc/15/62/91/1065156291.db2.gz WYEQUUJCFMKXFQ-OSPHWJPCSA-N 0 0 460.525 4.630 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC001436066270 1065156368 /nfs/dbraw/zinc/15/63/68/1065156368.db2.gz UFUYINFXRPGMRV-SVBQJQNYSA-N 0 0 453.739 4.638 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001436065909 1065156377 /nfs/dbraw/zinc/15/63/77/1065156377.db2.gz YZKTVYDTRLDLLE-NRFANRHFSA-N 0 0 457.361 4.946 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC001436066141 1065156424 /nfs/dbraw/zinc/15/64/24/1065156424.db2.gz TWIRNDCTKSUTEZ-UHFFFAOYSA-N 0 0 456.292 4.803 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccco3)n2CCc2c(F)cccc2F)CCOC1 ZINC001360320373 1065156339 /nfs/dbraw/zinc/15/63/39/1065156339.db2.gz WYEQUUJCFMKXFQ-XDHUDOTRSA-N 0 0 460.525 4.630 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)NCc1cccc(CN2C(=O)CSC2=O)c1 ZINC001545895289 1065157236 /nfs/dbraw/zinc/15/72/36/1065157236.db2.gz SRKJXRGFRNMLBE-UHFFFAOYSA-N 0 0 453.589 4.521 20 0 JJADRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1I ZINC001436069298 1065158191 /nfs/dbraw/zinc/15/81/91/1065158191.db2.gz BKAHZJYWQXVSGX-JTQLQIEISA-N 0 0 450.103 4.682 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360321018 1065158728 /nfs/dbraw/zinc/15/87/28/1065158728.db2.gz ISPWSMPTSIVEJO-KBMIEXCESA-N 0 0 460.594 4.694 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1)NCc1ccc(Cl)cc1I ZINC001436070280 1065158955 /nfs/dbraw/zinc/15/89/55/1065158955.db2.gz NXWJTNFIKPYBIW-UHFFFAOYSA-N 0 0 450.103 4.683 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCOC(F)(F)F)CCOC1 ZINC001360322287 1065159275 /nfs/dbraw/zinc/15/92/75/1065159275.db2.gz UBSGZMTUJGNKBY-HXUWFJFHSA-N 0 0 494.917 4.674 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2ccccc2OC(F)(F)F)CCOC1 ZINC001360322396 1065160024 /nfs/dbraw/zinc/16/00/24/1065160024.db2.gz WFLMUNVELUAALG-JOCHJYFZSA-N 0 0 470.536 4.748 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2Cc2ccc(F)cn2)CCOC1 ZINC001360323395 1065160687 /nfs/dbraw/zinc/16/06/87/1065160687.db2.gz BWKJLVOSEVHLID-HSZRJFAPSA-N 0 0 493.505 4.556 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cnc4c(cnn4CC(C)C)c3)CCCCC2)cc1OC ZINC001360323499 1065161306 /nfs/dbraw/zinc/16/13/06/1065161306.db2.gz ANVNPDDHZTYPIP-UHFFFAOYSA-N 0 0 450.583 4.736 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2CCC2CC2)CCOC1 ZINC001360323704 1065161354 /nfs/dbraw/zinc/16/13/54/1065161354.db2.gz HAOADVYMPYTVAW-QFIPXVFZSA-N 0 0 463.420 4.518 20 0 JJADRN Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)sc1Cc1ccc(F)cc1F ZINC001436073198 1065161730 /nfs/dbraw/zinc/16/17/30/1065161730.db2.gz KRUUEIGDXADCJU-OKILXGFUSA-N 0 0 458.534 4.581 20 0 JJADRN COc1ccc(C2(CNC(=O)CCCOc3ccc4c(c3)OCO4)CCCCC2)cc1OC ZINC001360323904 1065162248 /nfs/dbraw/zinc/16/22/48/1065162248.db2.gz JLMQTLMXHZYVOM-UHFFFAOYSA-N 0 0 455.551 4.610 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001436073592 1065162356 /nfs/dbraw/zinc/16/23/56/1065162356.db2.gz YTOYFAYAVWYJMT-KRWDZBQOSA-N 0 0 452.860 4.755 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC2(C)CCOCC2)CCOC1 ZINC001360324487 1065163733 /nfs/dbraw/zinc/16/37/33/1065163733.db2.gz PCDUKSDSHBVNDF-DEOSSOPVSA-N 0 0 481.012 4.564 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccco3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360324333 1065163738 /nfs/dbraw/zinc/16/37/38/1065163738.db2.gz NUAXLSBZCUHKAQ-DEOSSOPVSA-N 0 0 473.643 4.545 20 0 JJADRN Cc1nc(NC(=O)c2ccc(CN3CCCC3=O)cc2)sc1Cc1ccc(F)c(F)c1F ZINC001436075582 1065164443 /nfs/dbraw/zinc/16/44/43/1065164443.db2.gz MPEHZTXKBGDSMN-UHFFFAOYSA-N 0 0 459.493 4.834 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001436075938 1065164461 /nfs/dbraw/zinc/16/44/61/1065164461.db2.gz ARJKLOBTVHCWPF-QFIPXVFZSA-N 0 0 454.542 4.556 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@]2(C)CCCS2)CCOC1 ZINC001360324786 1065164873 /nfs/dbraw/zinc/16/48/73/1065164873.db2.gz RXGJVGGCKRYFSF-SFTDATJTSA-N 0 0 471.092 4.956 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CCSC2)CCOC1 ZINC001360324800 1065164963 /nfs/dbraw/zinc/16/49/63/1065164963.db2.gz SAEIKCRPTVYLLL-XMSQKQJNSA-N 0 0 484.588 4.727 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H]2CCC=CO2)CCOC1 ZINC001360325011 1065165646 /nfs/dbraw/zinc/16/56/46/1065165646.db2.gz WJBPZHKNEIPHGH-AUSIDOKSSA-N 0 0 480.531 4.667 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@H]2CCC=CO2)CCOC1 ZINC001360325012 1065165712 /nfs/dbraw/zinc/16/57/12/1065165712.db2.gz WJBPZHKNEIPHGH-CVDCTZTESA-N 0 0 480.531 4.667 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2CCOc2cccc(Cl)c2)CCOC1 ZINC001360324804 1065165760 /nfs/dbraw/zinc/16/57/60/1065165760.db2.gz SAJQFRCPHNRKGR-QHCPKHFHSA-N 0 0 477.030 4.749 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2Cc2cccs2)CCOC1 ZINC001360324855 1065165770 /nfs/dbraw/zinc/16/57/70/1065165770.db2.gz SZMZNQZMPROQAQ-JOCHJYFZSA-N 0 0 464.994 4.857 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2C[C@H]2C)CCOC1 ZINC001360325168 1065166212 /nfs/dbraw/zinc/16/62/12/1065166212.db2.gz ZPTYZBSEUFNIRR-RADWXHQJSA-N 0 0 452.521 4.630 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2Cc2cccs2)CCOC1 ZINC001360325097 1065166255 /nfs/dbraw/zinc/16/62/55/1065166255.db2.gz YFFYRZOZANWECU-JOCHJYFZSA-N 0 0 464.994 4.857 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H]2CCSC2(C)C)CCOC1 ZINC001360325203 1065166292 /nfs/dbraw/zinc/16/62/92/1065166292.db2.gz ZZAXVHSNNBILIW-HTAPYJJXSA-N 0 0 450.674 4.548 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)C3)n2Cc2ccccc2C(F)(F)F)CCOC1 ZINC001360325259 1065166827 /nfs/dbraw/zinc/16/68/27/1065166827.db2.gz ARMFOXVRSIUCIG-CWZMJNCASA-N 0 0 470.511 4.570 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2Cc2ccc(C(C)(F)F)cc2)CCOC1 ZINC001360325671 1065167446 /nfs/dbraw/zinc/16/74/46/1065167446.db2.gz JZAZNMYYMVZEKR-HSZRJFAPSA-N 0 0 484.538 4.960 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001436081812 1065168362 /nfs/dbraw/zinc/16/83/62/1065168362.db2.gz DYUUNVAFJFIBOL-HDMKZQKVSA-N 0 0 468.178 4.781 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOC1 ZINC001360326485 1065169401 /nfs/dbraw/zinc/16/94/01/1065169401.db2.gz ZWXIPCCQZCFCRN-IPVFLDMMSA-N 0 0 462.679 4.785 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1-c1ccc(C)cc1 ZINC001360326596 1065169428 /nfs/dbraw/zinc/16/94/28/1065169428.db2.gz DDHGBNVGPUYVFC-SFHVURJKSA-N 0 0 454.521 4.743 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)[C@@H]1C ZINC001436085089 1065170275 /nfs/dbraw/zinc/17/02/75/1065170275.db2.gz DQBMNMYHGPOAJH-KCZVDYSFSA-N 0 0 455.046 4.859 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1C ZINC001436085249 1065170286 /nfs/dbraw/zinc/17/02/86/1065170286.db2.gz SGSCKYGZFWVLFL-GOSISDBHSA-N 0 0 450.322 4.723 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1Br ZINC001436085330 1065170872 /nfs/dbraw/zinc/17/08/72/1065170872.db2.gz FEJIKJWZHZZQES-DOTOQJQBSA-N 0 0 453.174 4.825 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001360328667 1065171187 /nfs/dbraw/zinc/17/11/87/1065171187.db2.gz KCNATIDPINKSQG-RWWKDMOOSA-N 0 0 476.584 4.691 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC(F)F)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CCOC1 ZINC001360329342 1065171797 /nfs/dbraw/zinc/17/17/97/1065171797.db2.gz WBUWQQYAQHTHIZ-LTMIRXACSA-N 0 0 452.521 4.668 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCc3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001360329089 1065171836 /nfs/dbraw/zinc/17/18/36/1065171836.db2.gz RHDIWUMJVYMKQG-WZONZLPQSA-N 0 0 466.548 4.572 20 0 JJADRN CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(C(F)(F)F)nn1 ZINC001436088331 1065172158 /nfs/dbraw/zinc/17/21/58/1065172158.db2.gz WFXKXVAJBRWSFY-UHFFFAOYSA-N 0 0 455.234 4.509 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(I)c(C)c2)cnn1C1CCCC1 ZINC001436089461 1065172938 /nfs/dbraw/zinc/17/29/38/1065172938.db2.gz FKBBHYUUICEIMO-UHFFFAOYSA-N 0 0 451.352 4.794 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360329667 1065173019 /nfs/dbraw/zinc/17/30/19/1065173019.db2.gz BKYWWZPHQDXXNU-DNQXCXABSA-N 0 0 495.089 4.773 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1I ZINC001436090450 1065173339 /nfs/dbraw/zinc/17/33/39/1065173339.db2.gz KRFZXKCFBHQFJS-UHFFFAOYSA-N 0 0 451.638 4.784 20 0 JJADRN COc1cccc(C2(NC(=O)CSc3ccccc3Br)CCOCC2)c1F ZINC001436090261 1065173516 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AQBSDTNWNXHOCJ-UHFFFAOYSA-N 0 0 451.394 4.535 20 0 JJADRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC001436105507 1065182877 /nfs/dbraw/zinc/18/28/77/1065182877.db2.gz LRSWBEGRPCSKPB-UHFFFAOYSA-N 0 0 451.954 4.562 20 0 JJADRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cn1 ZINC001436104845 1065182911 /nfs/dbraw/zinc/18/29/11/1065182911.db2.gz XCFFCTUVXOVSIC-UHFFFAOYSA-N 0 0 454.361 4.814 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360336034 1065184178 /nfs/dbraw/zinc/18/41/78/1065184178.db2.gz MMPDVUUSOADPCI-YGKZAACZSA-N 0 0 450.986 4.642 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC001436108999 1065184330 /nfs/dbraw/zinc/18/43/30/1065184330.db2.gz DMKPMYCBDDRLRY-XZOQPEGZSA-N 0 0 457.954 4.807 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCc2cc(F)cc(F)c2)CCOC1 ZINC001360336428 1065184807 /nfs/dbraw/zinc/18/48/07/1065184807.db2.gz RWNYYVHUIYSCFJ-BVZFJXPGSA-N 0 0 462.585 4.712 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COc1cc(-c2noc(CCC(=O)N[C@@H](c3ccccc3C)C3CC3)n2)cc(Cl)c1OC ZINC001360337041 1065186315 /nfs/dbraw/zinc/18/63/15/1065186315.db2.gz BGLMRCNYHDMMEV-JOCHJYFZSA-N 0 0 455.942 4.916 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(CO)(Cc4ccccc4)CC3)n2CCCC(C)(C)C)CCOC1 ZINC001360338898 1065187451 /nfs/dbraw/zinc/18/74/51/1065187451.db2.gz MXJCBOAIPNFHHA-LJAQVGFWSA-N 0 0 498.712 4.967 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)s1 ZINC001436111995 1065187514 /nfs/dbraw/zinc/18/75/14/1065187514.db2.gz SEBOPSLMQILCNJ-UHFFFAOYSA-N 0 0 452.536 4.896 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2Cc2cccc(COC(C)(C)C)c2)CCOC1 ZINC001360339613 1065188076 /nfs/dbraw/zinc/18/80/76/1065188076.db2.gz VSEBOQVYHGOQMM-VWLOTQADSA-N 0 0 492.611 4.918 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCSC(F)(F)F)CCOC1 ZINC001360339139 1065188088 /nfs/dbraw/zinc/18/80/88/1065188088.db2.gz QXFKCXBJYUXUAG-KRWDZBQOSA-N 0 0 490.514 4.741 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360339851 1065188104 /nfs/dbraw/zinc/18/81/04/1065188104.db2.gz XYRMEACDAXFKND-HJPURHCSSA-N 0 0 499.414 4.825 20 0 JJADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC001436113420 1065188140 /nfs/dbraw/zinc/18/81/40/1065188140.db2.gz ZGUVXRYCNVYMLR-LJQANCHMSA-N 0 0 456.395 4.588 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001436113791 1065188280 /nfs/dbraw/zinc/18/82/80/1065188280.db2.gz QUWLMQZIBVEOOT-CPCISQLKSA-N 0 0 451.148 4.723 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)cc1 ZINC001360340141 1065189030 /nfs/dbraw/zinc/18/90/30/1065189030.db2.gz NJUBNSDAKYSXEC-PEZBUJJGSA-N 0 0 451.441 4.637 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001436113793 1065189078 /nfs/dbraw/zinc/18/90/78/1065189078.db2.gz QUWLMQZIBVEOOT-RDDDGLTNSA-N 0 0 451.148 4.723 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)COC[C@@H](C)c1ccccc1 ZINC001436113903 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FPYVAABCYWJZSK-UHFFFAOYSA-N 0 0 452.461 4.570 20 0 JJADRN CC(C)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)cnn1-c1ccccc1Cl ZINC001436118974 1065192301 /nfs/dbraw/zinc/19/23/01/1065192301.db2.gz JEEWLLSVZPLINS-AWEZNQCLSA-N 0 0 458.896 4.919 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCCCC3)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001360343173 1065192873 /nfs/dbraw/zinc/19/28/73/1065192873.db2.gz HZDZKASNNDVLNK-DEOSSOPVSA-N 0 0 464.557 4.543 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)nn1 ZINC001436119279 1065192984 /nfs/dbraw/zinc/19/29/84/1065192984.db2.gz MICYLFGATKPQNM-UHFFFAOYSA-N 0 0 455.234 4.743 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1 ZINC001436119552 1065193007 /nfs/dbraw/zinc/19/30/07/1065193007.db2.gz SCAVJFIBSWHDAC-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1nc(Br)ccc1C)C1CC1 ZINC001436120103 1065193093 /nfs/dbraw/zinc/19/30/93/1065193093.db2.gz VAFJNCQZGUPYFB-GOSISDBHSA-N 0 0 451.748 4.715 20 0 JJADRN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 ZINC001436120507 1065193586 /nfs/dbraw/zinc/19/35/86/1065193586.db2.gz VNGJDVVESBFLPI-FQEVSTJZSA-N 0 0 454.313 4.740 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)C2)n1 ZINC001436120447 1065193630 /nfs/dbraw/zinc/19/36/30/1065193630.db2.gz LZBWSTMQRYYBJT-LPHOPBHVSA-N 0 0 452.624 4.754 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CC(C)(C)N(C)c2cc(Br)ccc21 ZINC001436120334 1065193791 /nfs/dbraw/zinc/19/37/91/1065193791.db2.gz ZCJYGKAVJDFUHM-UHFFFAOYSA-N 0 0 457.347 4.958 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)n2)cc1 ZINC001360344674 1065194248 /nfs/dbraw/zinc/19/42/48/1065194248.db2.gz LCTINPRKZMQSQY-UHFFFAOYSA-N 0 0 455.820 4.911 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360344962 1065194332 /nfs/dbraw/zinc/19/43/32/1065194332.db2.gz WGGIQGCNLPYZEM-LLVKDONJSA-N 0 0 453.841 4.611 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccncc3Br)C2)n1 ZINC001436120706 1065194307 /nfs/dbraw/zinc/19/43/07/1065194307.db2.gz NLQBSLIKKOJOSD-CQSZACIVSA-N 0 0 458.381 4.996 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001436121789 1065195628 /nfs/dbraw/zinc/19/56/28/1065195628.db2.gz UDDCIPGKRMKHTM-QGZVFWFLSA-N 0 0 452.624 4.626 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001436122068 1065195752 /nfs/dbraw/zinc/19/57/52/1065195752.db2.gz AFCADQWXIFVFPP-NSHDSACASA-N 0 0 450.347 4.690 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)O[C@H]([C@@H]1CCCOC1)C(F)(F)F ZINC001436121853 1065195848 /nfs/dbraw/zinc/19/58/48/1065195848.db2.gz VKNSJXDSDKTTQR-QLJPJBMISA-N 0 0 452.292 4.892 20 0 JJADRN Cc1sc2ncc(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)c(=O)n2c1C ZINC001436123092 1065196387 /nfs/dbraw/zinc/19/63/87/1065196387.db2.gz ILNJWACCIBDQMH-UHFFFAOYSA-N 0 0 450.467 4.767 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)[C@H](SCc3ccccc3)C(C)C)c2)n1 ZINC001436122774 1065196418 /nfs/dbraw/zinc/19/64/18/1065196418.db2.gz HULQOYAJFJYESX-HSZRJFAPSA-N 0 0 451.592 4.623 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2ccc(Cl)cc2)CCOC1 ZINC001360349985 1065196520 /nfs/dbraw/zinc/19/65/20/1065196520.db2.gz NMLVLNQVLFIYFB-XUZZJYLKSA-N 0 0 479.090 4.793 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001436123208 1065196951 /nfs/dbraw/zinc/19/69/51/1065196951.db2.gz FCAJUOHPOLOKCZ-UHFFFAOYSA-N 0 0 458.266 4.566 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360350413 1065197180 /nfs/dbraw/zinc/19/71/80/1065197180.db2.gz UQBLNGXCDHZMLS-NFBKMPQASA-N 0 0 465.063 4.598 20 0 JJADRN C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1)c1ccc(F)c(Br)c1 ZINC001360350790 1065197716 /nfs/dbraw/zinc/19/77/16/1065197716.db2.gz ARPVMWWJKAPHAH-CYBMUJFWSA-N 0 0 455.368 4.993 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H](CCc2ccccc2)C(C)C)c1 ZINC001360351732 1065198483 /nfs/dbraw/zinc/19/84/83/1065198483.db2.gz SNRUROKWMNYRAU-RPWUZVMVSA-N 0 0 450.579 4.698 20 0 JJADRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001436124336 1065198493 /nfs/dbraw/zinc/19/84/93/1065198493.db2.gz DHVZGKULFWOHTE-SFHVURJKSA-N 0 0 453.558 4.864 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1)OCc1ccccc1 ZINC001436124865 1065199242 /nfs/dbraw/zinc/19/92/42/1065199242.db2.gz XZSNPDOCDLSCQT-ZEQKJWHPSA-N 0 0 458.558 4.972 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCSC2(C)C)CCOC1 ZINC001360352346 1065200155 /nfs/dbraw/zinc/20/01/55/1065200155.db2.gz OUGFVVHIOXXGLZ-RQXXJAGISA-N 0 0 472.646 4.578 20 0 JJADRN O=C(NCc1sccc1Br)c1ccc(I)cc1Cl ZINC001436126108 1065200099 /nfs/dbraw/zinc/20/00/99/1065200099.db2.gz JUKDFNLJCQHOCM-UHFFFAOYSA-N 0 0 456.530 4.699 20 0 JJADRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)onc1-c1cccc(Cl)c1Cl ZINC001360353035 1065200491 /nfs/dbraw/zinc/20/04/91/1065200491.db2.gz BNDGIXLRSSAOQR-ZDUSSCGKSA-N 0 0 457.354 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCc2cc(F)c(Cl)cc2F)(c2ccccc2)C1 ZINC001436126683 1065200651 /nfs/dbraw/zinc/20/06/51/1065200651.db2.gz VYLRSLVVPMFXMZ-QHCPKHFHSA-N 0 0 450.913 4.813 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001436127015 1065200710 /nfs/dbraw/zinc/20/07/10/1065200710.db2.gz BXHBFDOZLCAGGS-NSHDSACASA-N 0 0 456.109 4.724 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 ZINC001436126257 1065200732 /nfs/dbraw/zinc/20/07/32/1065200732.db2.gz XSOUIXDPCCWCCJ-UHFFFAOYSA-N 0 0 452.551 4.643 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c(-c2cc(F)ccc2F)n1 ZINC001436127287 1065200747 /nfs/dbraw/zinc/20/07/47/1065200747.db2.gz GKSPVUYMBVXWAO-MRXNPFEDSA-N 0 0 450.308 4.705 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)no1 ZINC001360353459 1065201035 /nfs/dbraw/zinc/20/10/35/1065201035.db2.gz NBNWJGLYXSTOOP-UHFFFAOYSA-N 0 0 457.889 4.634 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001360353651 1065201206 /nfs/dbraw/zinc/20/12/06/1065201206.db2.gz RCOBTTNVYHAMDI-UHFFFAOYSA-N 0 0 454.876 4.890 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@H]2C)cn1 ZINC001360354224 1065202127 /nfs/dbraw/zinc/20/21/27/1065202127.db2.gz IBPYKHKIWGUQJJ-RTBURBONSA-N 0 0 483.588 4.791 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001360354210 1065202140 /nfs/dbraw/zinc/20/21/40/1065202140.db2.gz HWRLRMJDWALNAK-OAHLLOKOSA-N 0 0 499.040 4.744 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC001360354195 1065202191 /nfs/dbraw/zinc/20/21/91/1065202191.db2.gz HIDDRQRAOXQFTO-MOPGFXCFSA-N 0 0 483.588 4.791 20 0 JJADRN COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c1 ZINC001436129750 1065202524 /nfs/dbraw/zinc/20/25/24/1065202524.db2.gz LCYVNIRXRMNMHG-XYOKQWHBSA-N 0 0 458.470 4.921 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC001360354486 1065203264 /nfs/dbraw/zinc/20/32/64/1065203264.db2.gz QFIJPBZKJSRSBF-UHFFFAOYSA-N 0 0 482.673 4.838 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cn1 ZINC001360354479 1065203344 /nfs/dbraw/zinc/20/33/44/1065203344.db2.gz QAYSOKDFGKNZJJ-IYBDPMFKSA-N 0 0 476.959 4.952 20 0 JJADRN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001436131192 1065203667 /nfs/dbraw/zinc/20/36/67/1065203667.db2.gz IBUSBSJEUAFJBF-UHFFFAOYSA-N 0 0 459.247 4.822 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1=O ZINC001436130779 1065203712 /nfs/dbraw/zinc/20/37/12/1065203712.db2.gz RYUGWAUKTZKPOW-GFCCVEGCSA-N 0 0 458.383 4.697 20 0 JJADRN CCCC[C@](C)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130884 1065203799 /nfs/dbraw/zinc/20/37/99/1065203799.db2.gz PYYQESXDXFVPKY-UPVQGACJSA-N 0 0 459.428 4.872 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC=CCC2)cn1 ZINC001360354780 1065203748 /nfs/dbraw/zinc/20/37/48/1065203748.db2.gz WVBSPPLTWOXZSY-UHFFFAOYSA-N 0 0 472.362 4.844 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)cn1 ZINC001360354549 1065203851 /nfs/dbraw/zinc/20/38/51/1065203851.db2.gz SCPYZPQGIORHRY-LJQANCHMSA-N 0 0 476.556 4.819 20 0 JJADRN CCCC[C@@](C)(NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130880 1065203827 /nfs/dbraw/zinc/20/38/27/1065203827.db2.gz PYYQESXDXFVPKY-ISKFKSNPSA-N 0 0 459.428 4.872 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)c2)C1 ZINC001436131944 1065204260 /nfs/dbraw/zinc/20/42/60/1065204260.db2.gz ZEGBZGLOSDTEHK-JGQIHZOTSA-N 0 0 458.599 4.558 20 0 JJADRN O=C(Nc1ccc(Br)cc1OC(F)(F)F)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001436132724 1065204647 /nfs/dbraw/zinc/20/46/47/1065204647.db2.gz TWRQEJDJMALBPP-QWHCGFSZSA-N 0 0 458.230 4.861 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N(C)[C@@H](C)C3CCCCC3)cc2OC)cc1 ZINC001436132659 1065204725 /nfs/dbraw/zinc/20/47/25/1065204725.db2.gz RLDQTYXDXAOEKD-SFHVURJKSA-N 0 0 454.567 4.762 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1ccc(OC(F)(F)F)cc1Cl ZINC001436131948 1065204889 /nfs/dbraw/zinc/20/48/89/1065204889.db2.gz ZGCXBUHXXNPOMQ-UHFFFAOYSA-N 0 0 454.832 4.699 20 0 JJADRN Cc1c(C(=O)NCc2ccc(-c3ccco3)cc2F)nnn1-c1ccccc1Br ZINC001436133658 1065205320 /nfs/dbraw/zinc/20/53/20/1065205320.db2.gz DRTNOSFQHXYTIG-UHFFFAOYSA-N 0 0 455.287 4.667 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001360355810 1065205417 /nfs/dbraw/zinc/20/54/17/1065205417.db2.gz GPCDILNBUVFDKI-NFBKMPQASA-N 0 0 499.656 4.801 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001360355966 1065205935 /nfs/dbraw/zinc/20/59/35/1065205935.db2.gz KLSLYXNMVXYIBH-LJQANCHMSA-N 0 0 463.504 4.656 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)cn1 ZINC001360355900 1065206004 /nfs/dbraw/zinc/20/60/04/1065206004.db2.gz JASGYJLCSNHRKR-UHFFFAOYSA-N 0 0 484.645 4.517 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)cn1 ZINC001360356367 1065206356 /nfs/dbraw/zinc/20/63/56/1065206356.db2.gz VHCZKCMSPYZQOY-UHFFFAOYSA-N 0 0 485.514 4.750 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360356439 1065206378 /nfs/dbraw/zinc/20/63/78/1065206378.db2.gz XLJAWGVIIUWAEO-OAQYLSRUSA-N 0 0 469.630 4.827 20 0 JJADRN CCc1c(NC(=O)c2ccc(I)cc2)cnn1-c1ccccc1Cl ZINC001436135241 1065206422 /nfs/dbraw/zinc/20/64/22/1065206422.db2.gz NOHIUIGPMVBWRN-UHFFFAOYSA-N 0 0 451.695 4.945 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001360356940 1065207047 /nfs/dbraw/zinc/20/70/47/1065207047.db2.gz AKHBEMDMLFYBII-UHFFFAOYSA-N 0 0 457.500 4.798 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)Oc1ccc(Oc3ncc(Br)cn3)cc1)C2 ZINC001436135911 1065207073 /nfs/dbraw/zinc/20/70/73/1065207073.db2.gz RATPZPHHPIPTDZ-INIZCTEOSA-N 0 0 455.308 4.751 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001436136536 1065207501 /nfs/dbraw/zinc/20/75/01/1065207501.db2.gz WDXIDLNKPWDGDC-KRWDZBQOSA-N 0 0 454.933 4.718 20 0 JJADRN CSc1ncc(C(=O)N(C)Cc2ccc(F)cc2Br)n1-c1ccc(F)cc1 ZINC001436136500 1065207555 /nfs/dbraw/zinc/20/75/55/1065207555.db2.gz IRSGYDBKCWZUNQ-UHFFFAOYSA-N 0 0 452.324 4.907 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)NCc1ccc(-c2ccco2)cc1F)C(=O)N1CCCC1 ZINC001436136781 1065207627 /nfs/dbraw/zinc/20/76/27/1065207627.db2.gz ZSJSKIVCOFUKTO-INIZCTEOSA-N 0 0 453.539 4.514 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccnc(OC2CCCCC2)c1 ZINC001436136829 1065208192 /nfs/dbraw/zinc/20/81/92/1065208192.db2.gz GURBQCBXFJSERZ-UHFFFAOYSA-N 0 0 457.328 4.536 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N(C)Cc2ccsc2)cn1 ZINC001360357338 1065208267 /nfs/dbraw/zinc/20/82/67/1065208267.db2.gz HGGPDAPURGCUAX-UHFFFAOYSA-N 0 0 467.570 4.925 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001360357448 1065208278 /nfs/dbraw/zinc/20/82/78/1065208278.db2.gz RXSZXEABQVBEOC-JTSKRJEESA-N 0 0 453.583 4.817 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1 ZINC001436137705 1065208584 /nfs/dbraw/zinc/20/85/84/1065208584.db2.gz ZNCJYFPLRPSMTQ-SFHVURJKSA-N 0 0 455.190 4.979 20 0 JJADRN CN(C(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC001436137648 1065208603 /nfs/dbraw/zinc/20/86/03/1065208603.db2.gz YBEVNWMMQMMUIU-DEOSSOPVSA-N 0 0 458.949 4.881 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C)[C@H]2C)cn1 ZINC001360357571 1065208778 /nfs/dbraw/zinc/20/87/78/1065208778.db2.gz LDCIPLFTVIYIJJ-QZTJIDSGSA-N 0 0 471.602 4.557 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001360357607 1065208852 /nfs/dbraw/zinc/20/88/52/1065208852.db2.gz VDFQGACVWCRPGK-CYBMUJFWSA-N 0 0 450.532 4.914 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001360357451 1065208893 /nfs/dbraw/zinc/20/88/93/1065208893.db2.gz RXSZXEABQVBEOC-VGOFRKELSA-N 0 0 453.583 4.817 20 0 JJADRN COc1cc(I)ccc1C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC001436138480 1065209373 /nfs/dbraw/zinc/20/93/73/1065209373.db2.gz PJSPAHANADGHHO-HXUWFJFHSA-N 0 0 458.299 4.523 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccn2)CC1 ZINC001360357814 1065209504 /nfs/dbraw/zinc/20/95/04/1065209504.db2.gz YQYYFWKJBLKYRM-KQKLFZNRSA-N 0 0 455.986 4.528 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)Oc2ccccc21 ZINC001436139605 1065209832 /nfs/dbraw/zinc/20/98/32/1065209832.db2.gz YIOYTSJHSKLMJF-GGAORHGYSA-N 0 0 459.384 4.641 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCN([C@@H](C)c4ccc(F)cc4F)CC3)nnc2C(C)(C)C)cn1 ZINC001360358152 1065210583 /nfs/dbraw/zinc/21/05/83/1065210583.db2.gz YUUDKZDMHZFJNV-IBGZPJMESA-N 0 0 498.622 4.968 20 0 JJADRN CCN(C(=O)c1cc(Br)cnc1Br)[C@@H](C)Cc1ccc(OC)cc1 ZINC001360358664 1065210899 /nfs/dbraw/zinc/21/08/99/1065210899.db2.gz LSQWXDVISDTQIM-LBPRGKRZSA-N 0 0 456.178 4.709 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1Cl ZINC001360358649 1065210943 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CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC001436148088 1065214238 /nfs/dbraw/zinc/21/42/38/1065214238.db2.gz DRIZNIUMAOWODF-BFUOFWGJSA-N 0 0 454.061 4.941 20 0 JJADRN CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1nc2c(cccc2Cl)s1 ZINC001436147911 1065214443 /nfs/dbraw/zinc/21/44/43/1065214443.db2.gz IUOCVSSDQZARKZ-ZMZPIMSZSA-N 0 0 452.338 4.925 20 0 JJADRN C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)Oc1ccccc1 ZINC001360360744 1065214495 /nfs/dbraw/zinc/21/44/95/1065214495.db2.gz VVQWDYRRLXOSRC-ZDUSSCGKSA-N 0 0 451.363 4.766 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cc(Cl)c1OCCC(C)C ZINC001436149107 1065215072 /nfs/dbraw/zinc/21/50/72/1065215072.db2.gz VGVUFAMJBAHIOA-QGZVFWFLSA-N 0 0 450.938 4.991 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360361095 1065215147 /nfs/dbraw/zinc/21/51/47/1065215147.db2.gz DLXFWHJMNBUAKY-FPOVZHCZSA-N 0 0 482.547 4.903 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccsc3)n2Cc2ncccc2N(C)C)c1 ZINC001360361215 1065215648 /nfs/dbraw/zinc/21/56/48/1065215648.db2.gz IXPXTTMGMXAIQL-UHFFFAOYSA-N 0 0 476.650 4.863 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001360361576 1065216179 /nfs/dbraw/zinc/21/61/79/1065216179.db2.gz UPRQOJHZIDBSTM-IAGOWNOFSA-N 0 0 472.431 4.974 20 0 JJADRN CO[C@]1(C)CCCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 ZINC001436150589 1065216172 /nfs/dbraw/zinc/21/61/72/1065216172.db2.gz INBVILZOWOJZBK-HSZRJFAPSA-N 0 0 459.384 4.662 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360361912 1065216624 /nfs/dbraw/zinc/21/66/24/1065216624.db2.gz DVWRICJZAUPJNM-GOSISDBHSA-N 0 0 493.599 4.839 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360361990 1065216754 /nfs/dbraw/zinc/21/67/54/1065216754.db2.gz GROXWWKBIGNPRO-OAQYLSRUSA-N 0 0 469.630 4.560 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](CC)c2ccc(Br)cc2)n1 ZINC001436152230 1065217035 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CCCCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1 ZINC001436156036 1065219331 /nfs/dbraw/zinc/21/93/31/1065219331.db2.gz VWJLOULALZIDIL-UHFFFAOYSA-N 0 0 453.948 4.824 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H](C)c3ccc(NC(=O)c4ccncc4)cc3)cc2)n1 ZINC001360363432 1065219408 /nfs/dbraw/zinc/21/94/08/1065219408.db2.gz BRTZFQVPSHSDEL-FQEVSTJZSA-N 0 0 453.546 4.556 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001360363758 1065219798 /nfs/dbraw/zinc/21/97/98/1065219798.db2.gz DEZWKCVSRMLZLE-XIFFEERXSA-N 0 0 472.699 4.938 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC001436158106 1065220395 /nfs/dbraw/zinc/22/03/95/1065220395.db2.gz WTKVKZXFNHOVRK-LJQANCHMSA-N 0 0 451.792 4.589 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001436158957 1065220970 /nfs/dbraw/zinc/22/09/70/1065220970.db2.gz UVNWGUYMHFKOGT-KRWDZBQOSA-N 0 0 451.350 4.542 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cc4ccccc4nc3Br)cnc21 ZINC001436158912 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PYMJIOCSENXQJG-UHFFFAOYSA-N 0 0 478.012 4.580 20 0 JJADRN O=C(C[C@@H]1CSCCS1)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001360364613 1065222191 /nfs/dbraw/zinc/22/21/91/1065222191.db2.gz NOVUXYRAHPAGHN-GOSISDBHSA-N 0 0 454.539 4.813 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001436161954 1065222535 /nfs/dbraw/zinc/22/25/35/1065222535.db2.gz SUCHQJRBTUKKEO-IIYDPXPESA-N 0 0 457.279 4.826 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)CC1 ZINC001360365025 1065222615 /nfs/dbraw/zinc/22/26/15/1065222615.db2.gz XDQUUUVJBXYTKA-UHFFFAOYSA-N 0 0 481.410 4.546 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 ZINC001360364911 1065222745 /nfs/dbraw/zinc/22/27/45/1065222745.db2.gz PFXFBHFRHRPADW-NRFANRHFSA-N 0 0 475.678 4.977 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001360365007 1065222778 /nfs/dbraw/zinc/22/27/78/1065222778.db2.gz WVOCQHBRPAZUNM-SJORKVTESA-N 0 0 495.437 4.913 20 0 JJADRN 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IHYLPLIRTCHISH-XLIONFOSSA-N 0 0 484.975 4.576 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCO1 ZINC001360375292 1065233234 /nfs/dbraw/zinc/23/32/34/1065233234.db2.gz OJMRFYIYXWOCCY-KLJDGLGGSA-N 0 0 498.712 4.925 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC001360375119 1065233303 /nfs/dbraw/zinc/23/33/03/1065233303.db2.gz LZDQLZIYFSGZPL-FQEVSTJZSA-N 0 0 480.556 4.628 20 0 JJADRN Cc1cc(I)cc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001436181541 1065233751 /nfs/dbraw/zinc/23/37/51/1065233751.db2.gz HSKAOPHZSNWKNR-JKSUJKDBSA-N 0 0 458.340 4.622 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC001436181634 1065233759 /nfs/dbraw/zinc/23/37/59/1065233759.db2.gz IQOYDKRFWBQESP-SIKLNZKXSA-N 0 0 459.428 4.799 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001436182222 1065233896 /nfs/dbraw/zinc/23/38/96/1065233896.db2.gz MHJCLCKWIYKNGY-FQEVSTJZSA-N 0 0 453.384 4.650 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)c1c(F)ccc(I)c1Cl ZINC001360375957 1065234020 /nfs/dbraw/zinc/23/40/20/1065234020.db2.gz UJFMMCALVHZBSG-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC001436182776 1065234538 /nfs/dbraw/zinc/23/45/38/1065234538.db2.gz NZOTVGCGDVXFSY-UQNRQAKVSA-N 0 0 465.432 4.519 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1)c1ccc(F)cc1F ZINC001436183032 1065234936 /nfs/dbraw/zinc/23/49/36/1065234936.db2.gz WTSGJNOXRPYYJJ-QGZVFWFLSA-N 0 0 455.914 4.598 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)COc3ccc(C4SCCCS4)cc3)cn2)cc1 ZINC001436183088 1065234947 /nfs/dbraw/zinc/23/49/47/1065234947.db2.gz ROORPOQDVBGIJA-UHFFFAOYSA-N 0 0 455.605 4.826 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360376527 1065234969 /nfs/dbraw/zinc/23/49/69/1065234969.db2.gz GNISMNAULUWSST-OAQYLSRUSA-N 0 0 494.478 4.647 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001436183407 1065235094 /nfs/dbraw/zinc/23/50/94/1065235094.db2.gz UOJHOHBKFSVPRF-YTQUADARSA-N 0 0 456.505 4.985 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001360376439 1065235189 /nfs/dbraw/zinc/23/51/89/1065235189.db2.gz DHZNOGCOKJBMID-QRTHJKPMSA-N 0 0 495.437 4.649 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360376444 1065235261 /nfs/dbraw/zinc/23/52/61/1065235261.db2.gz DJRXFOBMAUKCAX-UTKZUKDTSA-N 0 0 450.986 4.948 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001436183561 1065235795 /nfs/dbraw/zinc/23/57/95/1065235795.db2.gz VVGPWXLWUVKNNB-KRWDZBQOSA-N 0 0 451.995 4.844 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)CCc2ccccc2Br)C1 ZINC001436184711 1065236120 /nfs/dbraw/zinc/23/61/20/1065236120.db2.gz AFSWTTKPBFDDNX-IEBWSBKVSA-N 0 0 451.405 4.631 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)cnn1-c1ccccc1Cl ZINC001436184736 1065236150 /nfs/dbraw/zinc/23/61/50/1065236150.db2.gz ANZYIYSIPVLTCF-IEBWSBKVSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)cnn1-c1ccccc1Cl ZINC001436184738 1065236211 /nfs/dbraw/zinc/23/62/11/1065236211.db2.gz ANZYIYSIPVLTCF-MJGOQNOKSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1sc(Br)c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1C ZINC001436185950 1065236975 /nfs/dbraw/zinc/23/69/75/1065236975.db2.gz JJWIWHBYIPWJGW-MRXNPFEDSA-N 0 0 457.434 4.991 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001360376927 1065236751 /nfs/dbraw/zinc/23/67/51/1065236751.db2.gz RXFOBRWQITYLSO-GMAHTHKFSA-N 0 0 474.671 4.713 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001360376933 1065236768 /nfs/dbraw/zinc/23/67/68/1065236768.db2.gz RZYJSAYQWAMPLU-FNZWTVRRSA-N 0 0 490.620 4.537 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001360376896 1065236991 /nfs/dbraw/zinc/23/69/91/1065236991.db2.gz QXUOULDKTGSFGQ-RUZDIDTESA-N 0 0 470.017 4.951 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001545895964 1065237005 /nfs/dbraw/zinc/23/70/05/1065237005.db2.gz IOTPLUHUQOOVIW-JIPXPUAJSA-N 0 0 467.658 4.712 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360376995 1065237585 /nfs/dbraw/zinc/23/75/85/1065237585.db2.gz UONFEDFNYHEVGA-ZWOKBUDYSA-N 0 0 488.526 4.918 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)Nc3cc(F)c(Br)c(Cl)c3)CC2=O)cc1 ZINC001436186845 1065237515 /nfs/dbraw/zinc/23/75/15/1065237515.db2.gz IXTWHCYFAMYFLW-JTQLQIEISA-N 0 0 457.752 4.955 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001436187761 1065238168 /nfs/dbraw/zinc/23/81/68/1065238168.db2.gz FXDBUGWCAAJMMR-FZKQIMNGSA-N 0 0 454.354 4.792 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001436188717 1065238619 /nfs/dbraw/zinc/23/86/19/1065238619.db2.gz PADJDLZTGYONRT-XZVRFQMRSA-N 0 0 451.445 4.629 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001360377306 1065238719 /nfs/dbraw/zinc/23/87/19/1065238719.db2.gz FGBTVKMUZSYLOG-UHFFFAOYSA-N 0 0 458.743 4.841 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC001436188911 1065239050 /nfs/dbraw/zinc/23/90/50/1065239050.db2.gz ASRPGNJZRODGPB-NRFANRHFSA-N 0 0 451.611 4.658 20 0 JJADRN Cc1ccc(Cl)c2sc(NC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)nc21 ZINC001436189618 1065239722 /nfs/dbraw/zinc/23/97/22/1065239722.db2.gz VIAKMSNJSLPCRN-UHFFFAOYSA-N 0 0 459.774 4.676 20 0 JJADRN COC(=O)c1cc(NC(=O)CCCc2nnc(-c3ccccc3)o2)c(C)cc1Br ZINC001436191392 1065240914 /nfs/dbraw/zinc/24/09/14/1065240914.db2.gz LFAWABSQEHFXOL-UHFFFAOYSA-N 0 0 458.312 4.556 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC001436191643 1065241312 /nfs/dbraw/zinc/24/13/12/1065241312.db2.gz SIQZEHUXBNLTCB-CQSZACIVSA-N 0 0 450.436 4.746 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001436191698 1065241358 /nfs/dbraw/zinc/24/13/58/1065241358.db2.gz UFZBYZYNVDPVTJ-AEFFLSMTSA-N 0 0 459.384 4.509 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001360380185 1065241672 /nfs/dbraw/zinc/24/16/72/1065241672.db2.gz PKCPOKKMEYXFQX-QZTJIDSGSA-N 0 0 477.447 4.873 20 0 JJADRN COc1cc(NC(=O)c2cc3cccc(Cl)c3s2)ccc1S(=O)(=O)N1CCCC1 ZINC001360380892 1065242104 /nfs/dbraw/zinc/24/21/04/1065242104.db2.gz MBWOUVDONCHUHI-UHFFFAOYSA-N 0 0 450.969 4.600 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H]2CSc3ccccc32)C1=O ZINC001436193749 1065242341 /nfs/dbraw/zinc/24/23/41/1065242341.db2.gz MDOIKCHZVSOZTQ-ROUUACIJSA-N 0 0 459.409 4.567 20 0 JJADRN Cc1ccc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc1Br ZINC001360381610 1065242374 /nfs/dbraw/zinc/24/23/74/1065242374.db2.gz NRLSSAFVVIKQEY-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC001436193150 1065242433 /nfs/dbraw/zinc/24/24/33/1065242433.db2.gz ZWUGHCPYPFVJIZ-PKOBYXMFSA-N 0 0 459.587 4.736 20 0 JJADRN COCCN(CC(=O)OC)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC001360381752 1065242487 /nfs/dbraw/zinc/24/24/87/1065242487.db2.gz UYQZGPSIEJLLDI-UHFFFAOYSA-N 0 0 454.526 4.830 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360382111 1065242948 /nfs/dbraw/zinc/24/29/48/1065242948.db2.gz GNJSWQJLYWNIQS-UGKGYDQZSA-N 0 0 463.022 4.721 20 0 JJADRN CC(C)OCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001360382147 1065242979 /nfs/dbraw/zinc/24/29/79/1065242979.db2.gz HITCUCDZMNQJLO-UXHICEINSA-N 0 0 459.660 4.634 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cccc3cnccc32)C1=O ZINC001436195863 1065243594 /nfs/dbraw/zinc/24/35/94/1065243594.db2.gz QIIUPGAWNZCJSB-FQEVSTJZSA-N 0 0 452.352 4.540 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360382271 1065243543 /nfs/dbraw/zinc/24/35/43/1065243543.db2.gz LHWXDNIFWBCSMA-FQEVSTJZSA-N 0 0 468.520 4.775 20 0 JJADRN CC(C)OCCCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360382262 1065243696 /nfs/dbraw/zinc/24/36/96/1065243696.db2.gz LCFNMXKHQLBHRR-TZIWHRDSSA-N 0 0 463.667 4.565 20 0 JJADRN Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001436196876 1065244044 /nfs/dbraw/zinc/24/40/44/1065244044.db2.gz SWVODUZYNSTXJC-CQSZACIVSA-N 0 0 455.299 4.830 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001360382984 1065245164 /nfs/dbraw/zinc/24/51/64/1065245164.db2.gz HBNVPVOKZHBMDS-UHFFFAOYSA-N 0 0 485.430 4.979 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)c2)c1 ZINC001436199151 1065246277 /nfs/dbraw/zinc/24/62/77/1065246277.db2.gz HALNEMUQQRBTDT-XZOQPEGZSA-N 0 0 470.566 4.806 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)c3ccc(-n4nc(C)cc4C)nc3)c2)c1 ZINC001436198455 1065246376 /nfs/dbraw/zinc/24/63/76/1065246376.db2.gz BALXTNCSIWRHJE-UHFFFAOYSA-N 0 0 458.518 4.624 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C(C)(C)C)c1 ZINC001436200267 1065246939 /nfs/dbraw/zinc/24/69/39/1065246939.db2.gz AJIZBNKUCOVTGV-UHFFFAOYSA-N 0 0 458.562 4.938 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001360385317 1065247931 /nfs/dbraw/zinc/24/79/31/1065247931.db2.gz CDICMPPFOWXXKG-UUOWRZLLSA-N 0 0 476.021 4.517 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2nc(C(C)C)ncc2Br)C(C)(C)C)c1 ZINC001436201740 1065247988 /nfs/dbraw/zinc/24/79/88/1065247988.db2.gz LCUMNZVBDQETRM-UHFFFAOYSA-N 0 0 450.377 4.821 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360385219 1065248010 /nfs/dbraw/zinc/24/80/10/1065248010.db2.gz AGCZNGAEKSIEAT-SFHVURJKSA-N 0 0 460.928 4.961 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001360385292 1065248038 /nfs/dbraw/zinc/24/80/38/1065248038.db2.gz BJMHUWFJAHYCOS-UHFFFAOYSA-N 0 0 462.642 4.779 20 0 JJADRN CC(C)OCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360385290 1065248072 /nfs/dbraw/zinc/24/80/72/1065248072.db2.gz BHSQFZJHEITZNL-QGZVFWFLSA-N 0 0 465.520 4.579 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC001436202603 1065248438 /nfs/dbraw/zinc/24/84/38/1065248438.db2.gz ARRRGUZUPXEQAA-UHFFFAOYSA-N 0 0 455.462 4.770 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 ZINC001436202385 1065248509 /nfs/dbraw/zinc/24/85/09/1065248509.db2.gz BAPKABJKXCVSQC-HNNXBMFYSA-N 0 0 455.498 4.678 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)Cc3cnn(-c4ccccc4)n3)c2C(=O)OC(C)(C)C)C1 ZINC001436203294 1065248915 /nfs/dbraw/zinc/24/89/15/1065248915.db2.gz XHNPVRKKNRMVSV-HNNXBMFYSA-N 0 0 452.580 4.590 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)C1=Cc2cc(Br)ccc2OC1 ZINC001360385728 1065249197 /nfs/dbraw/zinc/24/91/97/1065249197.db2.gz WOFJBNXQJQFSBS-UHFFFAOYSA-N 0 0 451.320 4.880 20 0 JJADRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001436204036 1065249625 /nfs/dbraw/zinc/24/96/25/1065249625.db2.gz 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C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)s1 ZINC001360429946 1065305663 /nfs/dbraw/zinc/30/56/63/1065305663.db2.gz ZVFVULXXPUVRPC-CYBMUJFWSA-N 0 0 465.957 4.639 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)CSc1ccccc1Br)c1ccccc1 ZINC001436388688 1065306987 /nfs/dbraw/zinc/30/69/87/1065306987.db2.gz YOCKDJZOQCJGRC-KRWDZBQOSA-N 0 0 458.324 4.597 20 0 JJADRN Cc1nc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)nn1-c1ccccc1 ZINC001436388063 1065307170 /nfs/dbraw/zinc/30/71/70/1065307170.db2.gz XKWFYQYASFWJCO-UHFFFAOYSA-N 0 0 457.321 4.894 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(Cc2ccccn2)n1CC(F)(F)Br ZINC001360431000 1065306977 /nfs/dbraw/zinc/30/69/77/1065306977.db2.gz CWOOUQVHZHTHFQ-LBPRGKRZSA-N 0 0 472.284 4.727 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360431352 1065307559 /nfs/dbraw/zinc/30/75/59/1065307559.db2.gz CKOBYKRSCIGEKH-CQSZACIVSA-N 0 0 474.466 4.531 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccn2C)n1CC(=O)N(C)C1CCCCC1 ZINC001360431834 1065307962 /nfs/dbraw/zinc/30/79/62/1065307962.db2.gz MAYNTQYRMCXMSF-KRWDZBQOSA-N 0 0 470.568 4.550 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(C)(F)F ZINC001360431792 1065308013 /nfs/dbraw/zinc/30/80/13/1065308013.db2.gz LPXGNQJRMKEWOU-LBPRGKRZSA-N 0 0 453.440 4.527 20 0 JJADRN Cc1nn(C)c2cc(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)ccc12 ZINC001436395750 1065308207 /nfs/dbraw/zinc/30/82/07/1065308207.db2.gz KEYMHRNKJXSIAR-UHFFFAOYSA-N 0 0 453.296 4.742 20 0 JJADRN Cc1ccc(NC(=O)c2cc(COc3ccccc3F)on2)cc1S(=O)(=O)C1CCCC1 ZINC001436393612 1065308486 /nfs/dbraw/zinc/30/84/86/1065308486.db2.gz ALJLJGCCPKRIJF-UHFFFAOYSA-N 0 0 458.511 4.670 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CC1(C)CCCC1 ZINC001545897580 1065308502 /nfs/dbraw/zinc/30/85/02/1065308502.db2.gz BVKCNTRQQDEATB-SFHVURJKSA-N 0 0 471.650 4.667 20 0 JJADRN CO[C@@](C)(CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C1CC1 ZINC001436396992 1065309149 /nfs/dbraw/zinc/30/91/49/1065309149.db2.gz LPRPXIYAXASLSZ-KRWDZBQOSA-N 0 0 451.823 4.724 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360432514 1065309981 /nfs/dbraw/zinc/30/99/81/1065309981.db2.gz KUXFGIAGFIDXMG-SFHVURJKSA-N 0 0 468.577 4.934 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001436402227 1065310430 /nfs/dbraw/zinc/31/04/30/1065310430.db2.gz PGQIHQWKTVSOTM-UHFFFAOYSA-N 0 0 452.389 4.730 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnccn2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360432814 1065310473 /nfs/dbraw/zinc/31/04/73/1065310473.db2.gz MMRDBGDGJSKSAL-OAHLLOKOSA-N 0 0 471.462 4.728 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C[C@H]1CCCO1 ZINC001436405225 1065310984 /nfs/dbraw/zinc/31/09/84/1065310984.db2.gz WVRGPUCWBSHGMP-CYBMUJFWSA-N 0 0 452.857 4.593 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cccs1 ZINC001360433222 1065311039 /nfs/dbraw/zinc/31/10/39/1065311039.db2.gz SXAIUJXGVYMYDQ-VOIUYBSRSA-N 0 0 469.561 4.709 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360433123 1065311080 /nfs/dbraw/zinc/31/10/80/1065311080.db2.gz PAOQPCLKAYIJFX-SJLPKXTDSA-N 0 0 494.512 4.624 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360432939 1065311100 /nfs/dbraw/zinc/31/11/00/1065311100.db2.gz RWSXSEFBGFZFPS-QINHECLXSA-N 0 0 487.517 4.880 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)O ZINC001360433109 1065311189 /nfs/dbraw/zinc/31/11/89/1065311189.db2.gz ORSMODZSYSOFAH-AWEZNQCLSA-N 0 0 464.383 4.544 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)O ZINC001360433110 1065311267 /nfs/dbraw/zinc/31/12/67/1065311267.db2.gz ORSMODZSYSOFAH-CQSZACIVSA-N 0 0 464.383 4.544 20 0 JJADRN O=C(Oc1cccc(-c2ccncc2)c1)c1cc(Br)nn1-c1ncccc1Cl ZINC001436404918 1065311193 /nfs/dbraw/zinc/31/11/93/1065311193.db2.gz PWWSMVJPRCOKLT-UHFFFAOYSA-N 0 0 455.699 4.964 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(C(C)(C)C)n1CCn1cc(Br)cn1 ZINC001360433237 1065311908 /nfs/dbraw/zinc/31/19/08/1065311908.db2.gz TUXDLRWAXLMTRX-CYBMUJFWSA-N 0 0 467.362 4.710 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CC1 ZINC001436410507 1065311827 /nfs/dbraw/zinc/31/18/27/1065311827.db2.gz KLYJWIFHUVSNES-INIZCTEOSA-N 0 0 458.324 4.884 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)Nc3ccc(N(C)C(=O)OC(C)(C)C)nc3)nc2)c1 ZINC001436409389 1065311980 /nfs/dbraw/zinc/31/19/80/1065311980.db2.gz BGDXCNIQXDTJSV-UHFFFAOYSA-N 0 0 450.495 4.901 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1CCCNC(=O)C1CCC1 ZINC001360433568 1065312328 /nfs/dbraw/zinc/31/23/28/1065312328.db2.gz SMUHTMVYAVCEJG-KRWDZBQOSA-N 0 0 459.585 4.793 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC(C)(C)C ZINC001360433669 1065312455 /nfs/dbraw/zinc/31/24/55/1065312455.db2.gz UCRSMTVKZVVRBQ-HNNXBMFYSA-N 0 0 458.969 4.635 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCCCCC1 ZINC001360433674 1065312512 /nfs/dbraw/zinc/31/25/12/1065312512.db2.gz UDCOQHFBTRSDNG-UGKGYDQZSA-N 0 0 457.594 4.649 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1CCN1CCOC(C)(C)C1 ZINC001360433624 1065312576 /nfs/dbraw/zinc/31/25/76/1065312576.db2.gz SZPSLEUITCWOQM-SFHVURJKSA-N 0 0 461.601 4.597 20 0 JJADRN Cn1c(=O)c(COC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc2ccccc21 ZINC001436418243 1065313372 /nfs/dbraw/zinc/31/33/72/1065313372.db2.gz ZLQXTKYUADGWNH-UHFFFAOYSA-N 0 0 459.285 4.769 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1)[C@@H]1C[C@@H]1C ZINC001436424638 1065314491 /nfs/dbraw/zinc/31/44/91/1065314491.db2.gz CFWYPOQWHFHBPG-GKVQRAMASA-N 0 0 451.567 4.728 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)C[C@@H]3CCOC[C@@H]3OCC)cc21 ZINC001360434987 1065314517 /nfs/dbraw/zinc/31/45/17/1065314517.db2.gz WUWLOHHNIHZPOM-MBSDFSHPSA-N 0 0 457.567 4.979 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(F)c(Br)c1 ZINC001436424485 1065314736 /nfs/dbraw/zinc/31/47/36/1065314736.db2.gz BXVCXCTVXFOUNO-CMPLNLGQSA-N 0 0 457.702 4.611 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1)[C@H]1C[C@@H]1C ZINC001436424244 1065314746 /nfs/dbraw/zinc/31/47/46/1065314746.db2.gz AOPPBJVNMOVEQY-QKKBWIMNSA-N 0 0 459.468 4.846 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1)[C@@H]1C[C@@H]1C ZINC001436425474 1065315113 /nfs/dbraw/zinc/31/51/13/1065315113.db2.gz CZJJWWYWZKYOGO-IMRHEYAYSA-N 0 0 451.567 4.728 20 0 JJADRN COCc1c(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)sc2cccc(F)c21 ZINC001436425637 1065315144 /nfs/dbraw/zinc/31/51/44/1065315144.db2.gz CTSIFYNBNSKTMR-KUHUBIRLSA-N 0 0 458.530 4.808 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]4CCC[C@H]43)c2)cc1 ZINC001360435393 1065315130 /nfs/dbraw/zinc/31/51/30/1065315130.db2.gz DOIZXQFSYLNGKK-NTKDMRAZSA-N 0 0 456.608 4.624 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCOCC3)nc2)c1 ZINC001360435333 1065315184 /nfs/dbraw/zinc/31/51/84/1065315184.db2.gz CPONIYFIJUVGGW-XMMPIXPASA-N 0 0 451.954 4.639 20 0 JJADRN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(N2CCCC2=O)ccc1Cl ZINC001360435807 1065315807 /nfs/dbraw/zinc/31/58/07/1065315807.db2.gz KNYCBNAYEJUHDA-UHFFFAOYSA-N 0 0 450.804 4.788 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001360435697 1065315892 /nfs/dbraw/zinc/31/58/92/1065315892.db2.gz KGPVZFHOSRZRDU-JOCHJYFZSA-N 0 0 458.440 4.636 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCc2nc3cc(Cl)ccc3s2)C1=O ZINC001436427765 1065316645 /nfs/dbraw/zinc/31/66/45/1065316645.db2.gz LKDJIZBDIJZRRG-KDOFPFPSSA-N 0 0 459.974 4.890 20 0 JJADRN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360436189 1065316580 /nfs/dbraw/zinc/31/65/80/1065316580.db2.gz NLPBXEYESWVHMA-QFIPXVFZSA-N 0 0 455.896 4.511 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)C2(CCCOCc3ccccc3)CC2)C1=O ZINC001436428813 1065317348 /nfs/dbraw/zinc/31/73/48/1065317348.db2.gz QBQPHMSXUYQWAA-YKSBVNFPSA-N 0 0 452.570 4.771 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360436849 1065317247 /nfs/dbraw/zinc/31/72/47/1065317247.db2.gz XNRPQCQOQDGGLD-FQEVSTJZSA-N 0 0 456.798 4.705 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)c1cccs1 ZINC001360437186 1065317764 /nfs/dbraw/zinc/31/77/64/1065317764.db2.gz FDAJTUCECRZAHV-GOSISDBHSA-N 0 0 497.690 4.924 20 0 JJADRN CC1(C)CCC[C@@H]1CNC(=O)Cc1ccc(I)c(Br)c1 ZINC001436432212 1065318179 /nfs/dbraw/zinc/31/81/79/1065318179.db2.gz BGESRJUILUUFOL-GFCCVEGCSA-N 0 0 450.158 4.539 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1Cc1ccc(C)cc1C ZINC001545898156 1065318977 /nfs/dbraw/zinc/31/89/77/1065318977.db2.gz ONTRPRKUUJDHGS-YADHBBJMSA-N 0 0 467.658 4.505 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360437643 1065319155 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XTHRWECXIHNEKX-UHFFFAOYSA-N 0 0 457.343 4.967 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CC(C)(C)c1ccccn1 ZINC001360439431 1065321903 /nfs/dbraw/zinc/32/19/03/1065321903.db2.gz JEIIRPMLLOUDFU-CVCYQNGTSA-N 0 0 451.640 4.853 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001436453580 1065322322 /nfs/dbraw/zinc/32/23/22/1065322322.db2.gz YGUGUGFUJNGOIG-KUHUBIRLSA-N 0 0 450.457 4.658 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc(Br)cc1 ZINC001436451210 1065322396 /nfs/dbraw/zinc/32/23/96/1065322396.db2.gz UHYTVZAADRKQRR-ACJLOTCBSA-N 0 0 458.274 4.835 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360439842 1065322483 /nfs/dbraw/zinc/32/24/83/1065322483.db2.gz MQPMKUTUASPWCT-CPVRMDTQSA-N 0 0 458.672 4.932 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1cc2ccccc2s1 ZINC001436455041 1065323094 /nfs/dbraw/zinc/32/30/94/1065323094.db2.gz CGFRKUCBDKXARA-CYBMUJFWSA-N 0 0 453.379 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ZINC001436576529 1065376463 /nfs/dbraw/zinc/37/64/63/1065376463.db2.gz RGPLCDCGNVAVMJ-GOSISDBHSA-N 0 0 456.608 4.657 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc1 ZINC001436576918 1065376871 /nfs/dbraw/zinc/37/68/71/1065376871.db2.gz YTYQDIAPRUSILO-SFHVURJKSA-N 0 0 456.608 4.657 20 0 JJADRN COc1cc(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)ccc1Br ZINC001436576946 1065376895 /nfs/dbraw/zinc/37/68/95/1065376895.db2.gz DUJZKSNJABMZTB-UHFFFAOYSA-N 0 0 454.320 4.745 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1-c1ccccn1 ZINC001436577787 1065377559 /nfs/dbraw/zinc/37/75/59/1065377559.db2.gz BSNYMHBPCXBNDF-NRFANRHFSA-N 0 0 451.567 4.811 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)cs1 ZINC001436579391 1065378330 /nfs/dbraw/zinc/37/83/30/1065378330.db2.gz VMCFOJMPKVJLCX-UHFFFAOYSA-N 0 0 459.571 4.767 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001360466507 1065378819 /nfs/dbraw/zinc/37/88/19/1065378819.db2.gz MMCABEVYTCUFOU-OAHLLOKOSA-N 0 0 461.623 4.816 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CC2CCCC2)n1CCNC(=O)c1ccccc1F ZINC001360466791 1065379447 /nfs/dbraw/zinc/37/94/47/1065379447.db2.gz PDPNTAHRXXCDPY-KRWDZBQOSA-N 0 0 455.603 4.839 20 0 JJADRN C[C@@H](c1nccs1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001360466764 1065379503 /nfs/dbraw/zinc/37/95/03/1065379503.db2.gz HZUBKGHRROSIRC-KRWDZBQOSA-N 0 0 490.624 4.856 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NC1CCCCC1 ZINC001360466696 1065379515 /nfs/dbraw/zinc/37/95/15/1065379515.db2.gz OJMQXNPADXCRGN-QGZVFWFLSA-N 0 0 471.602 4.704 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)CSCC(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001436581825 1065380244 /nfs/dbraw/zinc/38/02/44/1065380244.db2.gz OHOCDASALAMZHH-NRFANRHFSA-N 0 0 456.608 4.547 20 0 JJADRN CCCc1c(C(=O)Oc2ccc3c(c2)CCCO3)nnn1Cc1cccc(Br)c1 ZINC001436581632 1065380386 /nfs/dbraw/zinc/38/03/86/1065380386.db2.gz ZTJDTDBAGMOMDK-UHFFFAOYSA-N 0 0 456.340 4.586 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cs1 ZINC001436581280 1065380413 /nfs/dbraw/zinc/38/04/13/1065380413.db2.gz YTBZACDZJJHNTM-IRXDYDNUSA-N 0 0 451.386 4.611 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1cnnn1 ZINC001360467079 1065380851 /nfs/dbraw/zinc/38/08/51/1065380851.db2.gz RVHUSKFPAIGWMI-HNNXBMFYSA-N 0 0 475.047 4.560 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360467436 1065380898 /nfs/dbraw/zinc/38/08/98/1065380898.db2.gz OKUSLZOTQZVHNR-INIZCTEOSA-N 0 0 475.613 4.587 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2c(F)cccc2F)n1CCn1cc(Cl)cn1 ZINC001360467145 1065380953 /nfs/dbraw/zinc/38/09/53/1065380953.db2.gz SXCIWBJSVKBDFG-CQSZACIVSA-N 0 0 462.957 4.956 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(F)cc21)NC(=O)OC(C)(C)C ZINC001436581864 1065380889 /nfs/dbraw/zinc/38/08/89/1065380889.db2.gz OWFXNOGYKCZVPN-NRFANRHFSA-N 0 0 453.514 4.638 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360467489 1065381795 /nfs/dbraw/zinc/38/17/95/1065381795.db2.gz WDMYVANXBFLOAM-MRXNPFEDSA-N 0 0 488.539 4.907 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001436583265 1065381878 /nfs/dbraw/zinc/38/18/78/1065381878.db2.gz JTYWKXRSXQVYKR-SJORKVTESA-N 0 0 452.477 4.913 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1cccc(-c2nnc(C)o2)c1)NC(=O)OC(C)(C)C ZINC001436583895 1065382591 /nfs/dbraw/zinc/38/25/91/1065382591.db2.gz VXTIGGYZWFIKEG-OAQYLSRUSA-N 0 0 450.539 4.603 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001360467962 1065382948 /nfs/dbraw/zinc/38/29/48/1065382948.db2.gz VOERIZLRPPXVGK-IBVKSMDESA-N 0 0 467.683 4.719 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001360467961 1065383031 /nfs/dbraw/zinc/38/30/31/1065383031.db2.gz VOERIZLRPPXVGK-FQRUVTKNSA-N 0 0 467.683 4.719 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)NC(=O)OC(C)(C)C ZINC001436584783 1065383092 /nfs/dbraw/zinc/38/30/92/1065383092.db2.gz ZATDRLOVBIELFD-QHCPKHFHSA-N 0 0 450.583 4.831 20 0 JJADRN COC(=O)c1nc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)sc1C(C)C ZINC001436584964 1065383116 /nfs/dbraw/zinc/38/31/16/1065383116.db2.gz PGIAEKSNKGMQIV-SFHVURJKSA-N 0 0 451.548 4.553 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(Cc3ccsc3)n2CCCOC(F)(F)F)CC1 ZINC001360467951 1065383281 /nfs/dbraw/zinc/38/32/81/1065383281.db2.gz UXUYTTWBDUPEQF-MRXNPFEDSA-N 0 0 485.601 4.802 20 0 JJADRN CC(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)n1 ZINC001360468333 1065383868 /nfs/dbraw/zinc/38/38/68/1065383868.db2.gz DWDZIWKFWURZIW-CYBMUJFWSA-N 0 0 454.365 4.659 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC001436585256 1065383871 /nfs/dbraw/zinc/38/38/71/1065383871.db2.gz OWIORWZBMLECMI-UHFFFAOYSA-N 0 0 457.861 4.590 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001360468053 1065383881 /nfs/dbraw/zinc/38/38/81/1065383881.db2.gz XMYPXNMCLGSFMC-HXUWFJFHSA-N 0 0 466.699 4.926 20 0 JJADRN C[C@H](c1nccs1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(Cl)cc2)CC1 ZINC001360468071 1065383973 /nfs/dbraw/zinc/38/39/73/1065383973.db2.gz XWCYHKAQFWYFTL-QGZVFWFLSA-N 0 0 459.063 4.908 20 0 JJADRN O=C(CSCc1cccnc1)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001436585638 1065384012 /nfs/dbraw/zinc/38/40/12/1065384012.db2.gz MYFJSVYOEGTNBP-HNNXBMFYSA-N 0 0 450.377 4.622 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360468208 1065384113 /nfs/dbraw/zinc/38/41/13/1065384113.db2.gz ZHOHKLABCVBXEV-SFHVURJKSA-N 0 0 486.652 4.696 20 0 JJADRN O=C(COc1cccc(NC(=O)C2CC2)c1)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC001436587044 1065384761 /nfs/dbraw/zinc/38/47/61/1065384761.db2.gz DAKVFTXFVGPJAE-UHFFFAOYSA-N 0 0 458.230 4.801 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]1c1cccc(C)c1 ZINC001436586611 1065384851 /nfs/dbraw/zinc/38/48/51/1065384851.db2.gz YBBBEYRFGJGARZ-SIKLNZKXSA-N 0 0 456.468 4.748 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1cc(C(C)C)nn1-c1ccccc1)c1cccc(Br)c1 ZINC001436589040 1065386077 /nfs/dbraw/zinc/38/60/77/1065386077.db2.gz PSRWFNFLWPGZKV-NRFANRHFSA-N 0 0 455.356 4.574 20 0 JJADRN CCSc1cccc(CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)c1 ZINC001436590388 1065386680 /nfs/dbraw/zinc/38/66/80/1065386680.db2.gz VOTVYDYJWKVQOX-UHFFFAOYSA-N 0 0 452.399 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)[C@H](C(F)F)C1 ZINC001436589746 1065386866 /nfs/dbraw/zinc/38/68/66/1065386866.db2.gz WGKCJCJMWLRRQP-SGWGQVFISA-N 0 0 450.526 4.734 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001436590682 1065387538 /nfs/dbraw/zinc/38/75/38/1065387538.db2.gz PTAUURRYQQJJTN-UHFFFAOYSA-N 0 0 454.727 4.733 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)c1ccc2ccccc2c1 ZINC001436592026 1065388133 /nfs/dbraw/zinc/38/81/33/1065388133.db2.gz JNHACYPQDNZEGS-SFHVURJKSA-N 0 0 450.482 4.754 20 0 JJADRN Cc1c(I)cccc1C(=O)NCc1ccncc1OCCC(C)(C)C ZINC001436592378 1065388193 /nfs/dbraw/zinc/38/81/93/1065388193.db2.gz RVFYHAWKKFBSKL-UHFFFAOYSA-N 0 0 452.336 4.740 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)CCCC(=O)N3)c1C ZINC001360470295 1065388206 /nfs/dbraw/zinc/38/82/06/1065388206.db2.gz SFXURALFCJGCHO-UHFFFAOYSA-N 0 0 453.340 4.779 20 0 JJADRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001436592984 1065388931 /nfs/dbraw/zinc/38/89/31/1065388931.db2.gz XHTJUJPSVCQZDB-UHFFFAOYSA-N 0 0 456.411 4.649 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4cccnc4)cc3)cc2)CC1 ZINC001436595438 1065389972 /nfs/dbraw/zinc/38/99/72/1065389972.db2.gz IUXJSZPUSIXZGX-UHFFFAOYSA-N 0 0 451.548 4.547 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n1 ZINC001436597945 1065391521 /nfs/dbraw/zinc/39/15/21/1065391521.db2.gz MANXHRQXYYRNGN-UHFFFAOYSA-N 0 0 451.759 4.962 20 0 JJADRN COCC1(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CCCCC1 ZINC001436598253 1065391582 /nfs/dbraw/zinc/39/15/82/1065391582.db2.gz SBUCMSPUXXKEFB-UBFVSLLYSA-N 0 0 456.671 4.889 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1F ZINC001436598485 1065391593 /nfs/dbraw/zinc/39/15/93/1065391593.db2.gz HUXBDLYQDOWRPU-CYBMUJFWSA-N 0 0 452.320 4.800 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(F)(F)F ZINC001436598916 1065392076 /nfs/dbraw/zinc/39/20/76/1065392076.db2.gz RHXXQBVQSQQONF-MFKMUULPSA-N 0 0 457.246 4.843 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(F)(F)F ZINC001436598905 1065392093 /nfs/dbraw/zinc/39/20/93/1065392093.db2.gz RHXXQBVQSQQONF-GWCFXTLKSA-N 0 0 457.246 4.843 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001436598812 1065392162 /nfs/dbraw/zinc/39/21/62/1065392162.db2.gz QOZKEKYRIGGAHV-VWLOTQADSA-N 0 0 452.982 4.973 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 ZINC001436600073 1065392851 /nfs/dbraw/zinc/39/28/51/1065392851.db2.gz SRBGTBZQFQUYNZ-UHFFFAOYSA-N 0 0 450.923 4.523 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001436602207 1065394447 /nfs/dbraw/zinc/39/44/47/1065394447.db2.gz WETUMMHWTKNZGF-KRWDZBQOSA-N 0 0 455.418 4.591 20 0 JJADRN O=C(NCc1ccccc1Cn1ccnc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436601991 1065394657 /nfs/dbraw/zinc/39/46/57/1065394657.db2.gz ZVJLQNBACMUHEH-UHFFFAOYSA-N 0 0 454.246 4.523 20 0 JJADRN CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001436602750 1065394801 /nfs/dbraw/zinc/39/48/01/1065394801.db2.gz SCCDQMOHHJHFHR-PMACEKPBSA-N 0 0 456.336 4.874 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(C)[C@H]3C[C@@H](Oc4ccccc4)C3(C)C)o2)cc1 ZINC001436603322 1065395385 /nfs/dbraw/zinc/39/53/85/1065395385.db2.gz XFFVNCVSNQWCAU-VQTJNVASSA-N 0 0 453.564 4.542 20 0 JJADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001436615036 1065398236 /nfs/dbraw/zinc/39/82/36/1065398236.db2.gz KEXBFZONGITKHB-MRXNPFEDSA-N 0 0 452.363 4.641 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)NCCc2ccc(C)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001436613760 1065398348 /nfs/dbraw/zinc/39/83/48/1065398348.db2.gz RUAUJSFQJCWPAG-SHQCIBLASA-N 0 0 457.574 4.550 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001436621021 1065400888 /nfs/dbraw/zinc/40/08/88/1065400888.db2.gz HGBREEFYTOFXHT-IBGZPJMESA-N 0 0 453.560 4.879 20 0 JJADRN Cc1cc(COCC(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)no1 ZINC001360481808 1065401413 /nfs/dbraw/zinc/40/14/13/1065401413.db2.gz PISBEZJJXIHIHO-UHFFFAOYSA-N 0 0 456.367 4.905 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC001436621651 1065401477 /nfs/dbraw/zinc/40/14/77/1065401477.db2.gz NPDNTUPYXKXDHE-UHFFFAOYSA-N 0 0 453.174 4.877 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 ZINC001436622553 1065402201 /nfs/dbraw/zinc/40/22/01/1065402201.db2.gz MMFBAJVIZGWFPQ-XMSQKQJNSA-N 0 0 456.608 4.996 20 0 JJADRN CCC(=O)N1CC[C@@H](C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)C1 ZINC001360482300 1065402213 /nfs/dbraw/zinc/40/22/13/1065402213.db2.gz ZYFHWHVWDNQVQA-CQSZACIVSA-N 0 0 456.411 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@H](C)c1ccccc1 ZINC001545899989 1065403711 /nfs/dbraw/zinc/40/37/11/1065403711.db2.gz DEIKSTFDBONOHN-CYFREDJKSA-N 0 0 477.657 4.655 20 0 JJADRN Cc1ccc(CO[C@H](C)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001436627537 1065405490 /nfs/dbraw/zinc/40/54/90/1065405490.db2.gz PUVKEIQLKDTZQC-VEXUSMLFSA-N 0 0 470.585 4.949 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2Br)CC[C@H]1c1ccc(F)cc1 ZINC001436627705 1065405528 /nfs/dbraw/zinc/40/55/28/1065405528.db2.gz RKXGNGMCPZLYIF-DOTOQJQBSA-N 0 0 467.335 4.704 20 0 JJADRN CC(=O)NC[C@H](CC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1)CC(C)C ZINC001436627614 1065405610 /nfs/dbraw/zinc/40/56/10/1065405610.db2.gz QCXBUFNFSLHBCL-FQEVSTJZSA-N 0 0 459.631 4.928 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 ZINC001436628125 1065405621 /nfs/dbraw/zinc/40/56/21/1065405621.db2.gz FICTXEYZZKDHCG-DENIHFKCSA-N 0 0 453.583 4.885 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc2ccccc2s1 ZINC001360485664 1065405574 /nfs/dbraw/zinc/40/55/74/1065405574.db2.gz LQRLXDUGDNGSKB-GFCCVEGCSA-N 0 0 490.452 4.732 20 0 JJADRN C[C@@H]1[C@H](C)SCCN1C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001360486911 1065406539 /nfs/dbraw/zinc/40/65/39/1065406539.db2.gz XRJZLTBFORVWAY-ZJUUUORDSA-N 0 0 454.852 4.541 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCS[C@@H](C)[C@H]2C)cc1OC ZINC001360486808 1065406576 /nfs/dbraw/zinc/40/65/76/1065406576.db2.gz XLNFLBDWAMNKBJ-MSOLQXFVSA-N 0 0 451.592 4.582 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N[C@H]3C[C@@H](OC(C)C)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436630220 1065407153 /nfs/dbraw/zinc/40/71/53/1065407153.db2.gz XTADGVBCRWWASA-OKJKUSBXSA-N 0 0 450.579 4.560 20 0 JJADRN CCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360488547 1065407205 /nfs/dbraw/zinc/40/72/05/1065407205.db2.gz IMQSXEWTCVFNFP-FGZHOGPDSA-N 0 0 450.579 4.658 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 ZINC001360489116 1065408157 /nfs/dbraw/zinc/40/81/57/1065408157.db2.gz GWVBAJUZVPDFOU-UHFFFAOYSA-N 0 0 451.544 4.868 20 0 JJADRN O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001360489112 1065408172 /nfs/dbraw/zinc/40/81/72/1065408172.db2.gz GRHABZLRBLOFHN-UHFFFAOYSA-N 0 0 450.343 4.985 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCCc4cc(C)cc(Cl)c43)n2)CCCCCC1 ZINC001436633065 1065408791 /nfs/dbraw/zinc/40/87/91/1065408791.db2.gz BKOLKTIPAJKCRF-UHFFFAOYSA-N 0 0 458.990 4.629 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)N(C)c1ccc(-c2nccs2)cc1)C(=O)N1CCCC1 ZINC001436633315 1065408969 /nfs/dbraw/zinc/40/89/69/1065408969.db2.gz BXRYGGPDMUAHRB-INIZCTEOSA-N 0 0 452.605 4.585 20 0 JJADRN O=C(NCc1cc(F)ccc1N1CCOCC1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC001360493394 1065409820 /nfs/dbraw/zinc/40/98/20/1065409820.db2.gz BIBLZSQASVNPMM-DEOSSOPVSA-N 0 0 454.542 4.951 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(N2CCCCCC2)c1 ZINC001360493700 1065410431 /nfs/dbraw/zinc/41/04/31/1065410431.db2.gz FOVDMYDVOIPHCU-NRFANRHFSA-N 0 0 454.958 4.564 20 0 JJADRN C[C@@H](C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001360496156 1065412196 /nfs/dbraw/zinc/41/21/96/1065412196.db2.gz JGEXTXUUPFCRIN-HSALFYBXSA-N 0 0 450.579 4.877 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCc3cccc(Cl)c3C2)c1 ZINC001436639285 1065412184 /nfs/dbraw/zinc/41/21/84/1065412184.db2.gz CRYGPXMJEAIJNW-UHFFFAOYSA-N 0 0 454.979 4.754 20 0 JJADRN CC(=O)NCc1cccc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1 ZINC001436639079 1065412230 /nfs/dbraw/zinc/41/22/30/1065412230.db2.gz UPZUHIJUHKPWPF-UHFFFAOYSA-N 0 0 451.567 4.690 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001436639669 1065412325 /nfs/dbraw/zinc/41/23/25/1065412325.db2.gz PCQOERBKEROTKZ-QBIMZIAESA-N 0 0 455.393 4.574 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(F)(F)F ZINC001360496766 1065412853 /nfs/dbraw/zinc/41/28/53/1065412853.db2.gz BKUXYLAVWHWADJ-AWEZNQCLSA-N 0 0 452.502 4.655 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360497012 1065412924 /nfs/dbraw/zinc/41/29/24/1065412924.db2.gz DHDJZYDBIRUUJE-QGZVFWFLSA-N 0 0 458.603 4.860 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360496728 1065412978 /nfs/dbraw/zinc/41/29/78/1065412978.db2.gz BBWSEEVZEULYKH-CEXWTWQISA-N 0 0 485.629 4.589 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnccn1 ZINC001360496922 1065413018 /nfs/dbraw/zinc/41/30/18/1065413018.db2.gz CLFISVHQXOJSML-MSOLQXFVSA-N 0 0 466.586 4.924 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001360497150 1065414110 /nfs/dbraw/zinc/41/41/10/1065414110.db2.gz VZODUYRSJXVCJA-IYBDPMFKSA-N 0 0 458.580 4.656 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N(C)[C@H](C)Cc1cccc(F)c1 ZINC001436642036 1065414227 /nfs/dbraw/zinc/41/42/27/1065414227.db2.gz JVRKVZCVKOJWHZ-WIYYLYMNSA-N 0 0 458.578 4.606 20 0 JJADRN Cc1c(C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)nnn1-c1ccccc1Br ZINC001360497392 1065414656 /nfs/dbraw/zinc/41/46/56/1065414656.db2.gz YULXBMXLUYXTHL-FOIQADDNSA-N 0 0 457.397 4.657 20 0 JJADRN COc1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1SC ZINC001436644659 1065414617 /nfs/dbraw/zinc/41/46/17/1065414617.db2.gz HMJBOAURKONJRW-UHFFFAOYSA-N 0 0 454.371 4.862 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Br)c(C)cc2Cl)cc1 ZINC001436646233 1065415713 /nfs/dbraw/zinc/41/57/13/1065415713.db2.gz ZXXIOEQTQLFGNY-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 ZINC001360497946 1065415719 /nfs/dbraw/zinc/41/57/19/1065415719.db2.gz MMZAEZKNMXMMNF-CABCVRRESA-N 0 0 464.433 4.591 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360497550 1065415769 /nfs/dbraw/zinc/41/57/69/1065415769.db2.gz JEKJTSDIJOZWJX-QINHECLXSA-N 0 0 476.021 4.596 20 0 JJADRN Cc1nc(NC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc(-c2ccc(F)cc2)n1 ZINC001436648780 1065416383 /nfs/dbraw/zinc/41/63/83/1065416383.db2.gz IYCZYSZOCXEGJI-UHFFFAOYSA-N 0 0 454.506 4.508 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001360498191 1065416476 /nfs/dbraw/zinc/41/64/76/1065416476.db2.gz PLJHUZXMVNPRPB-ZACQAIPSSA-N 0 0 481.087 4.797 20 0 JJADRN O=C(Nc1cc(-c2nn[nH]n2)ccc1F)c1ccc(-c2ccc(Br)s2)s1 ZINC001436648953 1065416463 /nfs/dbraw/zinc/41/64/63/1065416463.db2.gz LCWFKQJVDGTCRP-UHFFFAOYSA-N 0 0 450.318 4.811 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360498459 1065417342 /nfs/dbraw/zinc/41/73/42/1065417342.db2.gz SHKARDSBYMGLTK-IAGOWNOFSA-N 0 0 458.031 4.631 20 0 JJADRN Cc1nc(NC(=O)c2cccc(F)c2I)cc(-c2ccc(F)cc2)n1 ZINC001436649454 1065417485 /nfs/dbraw/zinc/41/74/85/1065417485.db2.gz OLJDBYGLVZHYFZ-UHFFFAOYSA-N 0 0 451.214 4.587 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 ZINC001436655223 1065418851 /nfs/dbraw/zinc/41/88/51/1065418851.db2.gz RNXJHHXDLYFYFB-GOSISDBHSA-N 0 0 454.379 4.596 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001436653653 1065418894 /nfs/dbraw/zinc/41/88/94/1065418894.db2.gz GLRUCUZNKQYZBY-UHFFFAOYSA-N 0 0 456.951 4.948 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001436654599 1065418975 /nfs/dbraw/zinc/41/89/75/1065418975.db2.gz ODQVXWYMDKYRHL-YXAHYSCSSA-N 0 0 459.999 4.732 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001436654597 1065419037 /nfs/dbraw/zinc/41/90/37/1065419037.db2.gz ODQVXWYMDKYRHL-SZRHCGQDSA-N 0 0 459.999 4.732 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360499353 1065419767 /nfs/dbraw/zinc/41/97/67/1065419767.db2.gz DQWXKKCYEQOICS-AABGKKOBSA-N 0 0 489.686 4.606 20 0 JJADRN CCOC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001436659052 1065419816 /nfs/dbraw/zinc/41/98/16/1065419816.db2.gz VEMNDTBKDGDSMN-IBGZPJMESA-N 0 0 454.571 4.583 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360499355 1065419949 /nfs/dbraw/zinc/41/99/49/1065419949.db2.gz DQWXKKCYEQOICS-AQNXPRMDSA-N 0 0 489.686 4.606 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F ZINC001360499105 1065419958 /nfs/dbraw/zinc/41/99/58/1065419958.db2.gz AIPOOHICWVIKCB-SJLPKXTDSA-N 0 0 499.628 4.618 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360500213 1065421390 /nfs/dbraw/zinc/42/13/90/1065421390.db2.gz KZRNPXWQOSAVMO-AWEZNQCLSA-N 0 0 463.533 4.602 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360500208 1065421437 /nfs/dbraw/zinc/42/14/37/1065421437.db2.gz KZDKGFFLZBJIOM-RTBURBONSA-N 0 0 484.670 4.670 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)Cc2cccs2)cn1 ZINC001360500200 1065421476 /nfs/dbraw/zinc/42/14/76/1065421476.db2.gz KWJNLQXXRSFYPB-LJQANCHMSA-N 0 0 461.639 4.754 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001360500501 1065422238 /nfs/dbraw/zinc/42/22/38/1065422238.db2.gz MZHQYKOYGNJGRZ-LJQANCHMSA-N 0 0 456.631 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001545900411 1065422379 /nfs/dbraw/zinc/42/23/79/1065422379.db2.gz NVBUCKFPFCDGHK-GHTZIAJQSA-N 0 0 475.584 4.680 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1 ZINC001360500749 1065423054 /nfs/dbraw/zinc/42/30/54/1065423054.db2.gz OFEHBLKNSZRDGW-GOSISDBHSA-N 0 0 465.648 4.846 20 0 JJADRN CCCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360500688 1065423064 /nfs/dbraw/zinc/42/30/64/1065423064.db2.gz CHBHWZHOTHWKDR-IZZNHLLZSA-N 0 0 458.537 4.773 20 0 JJADRN CC[C@](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1)(C(=O)OC)c1ccccc1 ZINC001436694792 1065424391 /nfs/dbraw/zinc/42/43/91/1065424391.db2.gz LTVPOGMOIMLKQP-HHHXNRCGSA-N 0 0 457.530 4.692 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)C3(c4ccc(Br)cc4)CCOCC3)C2)c1 ZINC001436698671 1065425074 /nfs/dbraw/zinc/42/50/74/1065425074.db2.gz OVCGIAVQLLHZMO-XGAFWQRZSA-N 0 0 458.396 4.911 20 0 JJADRN O=C(CSc1ccc2c(c1)OCCO2)N1CCCc2c(Br)c(F)cc(F)c21 ZINC001436705695 1065425190 /nfs/dbraw/zinc/42/51/90/1065425190.db2.gz FEBGGIDFLKVIQX-UHFFFAOYSA-N 0 0 456.308 4.570 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001360501354 1065425774 /nfs/dbraw/zinc/42/57/74/1065425774.db2.gz SBKWAGNHTVUVLL-RTBURBONSA-N 0 0 458.603 4.942 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC001360501476 1065425789 /nfs/dbraw/zinc/42/57/89/1065425789.db2.gz KFULHIKQTJFEJA-UHFFFAOYSA-N 0 0 456.521 4.603 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001360501353 1065425937 /nfs/dbraw/zinc/42/59/37/1065425937.db2.gz SBKWAGNHTVUVLL-RBUKOAKNSA-N 0 0 458.603 4.942 20 0 JJADRN Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cccc1S(=O)(=O)N(C)C ZINC001436706756 1065426031 /nfs/dbraw/zinc/42/60/31/1065426031.db2.gz QSIMQNCOWFWHRA-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN Cc1c(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cccc1S(=O)(=O)N(C)C ZINC001436708013 1065426048 /nfs/dbraw/zinc/42/60/48/1065426048.db2.gz WUHXDNRKDPTOAJ-JOCHJYFZSA-N 0 0 458.580 4.857 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC001436710469 1065426101 /nfs/dbraw/zinc/42/61/01/1065426101.db2.gz HJHDODOVZUGZMF-IEBWSBKVSA-N 0 0 456.999 4.864 20 0 JJADRN Cc1cc(NC(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)cc(F)c1Br ZINC001436711375 1065426732 /nfs/dbraw/zinc/42/67/32/1065426732.db2.gz BYOVZJIOCAGMCP-ZDUSSCGKSA-N 0 0 459.356 4.545 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2=O)c(OC)c1 ZINC001436712235 1065426823 /nfs/dbraw/zinc/42/68/23/1065426823.db2.gz AVUQVAXIPGBFIE-GGPKGHCWSA-N 0 0 456.970 4.553 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436711551 1065426836 /nfs/dbraw/zinc/42/68/36/1065426836.db2.gz BADPSFODWXJLCY-ZGXWSNOMSA-N 0 0 467.329 4.699 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1F ZINC001436711676 1065426893 /nfs/dbraw/zinc/42/68/93/1065426893.db2.gz DGMPRZOJEOQNFG-GHTZIAJQSA-N 0 0 465.491 4.570 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCOC1 ZINC001360502282 1065427363 /nfs/dbraw/zinc/42/73/63/1065427363.db2.gz ZKJASRHIDCFNIA-AZUAARDMSA-N 0 0 489.686 4.558 20 0 JJADRN CCOC(=O)Cc1cnc(N(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)s1 ZINC001436713276 1065427594 /nfs/dbraw/zinc/42/75/94/1065427594.db2.gz FMYYAVBBAKRGSD-UHFFFAOYSA-N 0 0 459.571 4.978 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)oc1-c1ccccc1 ZINC001436713301 1065427635 /nfs/dbraw/zinc/42/76/35/1065427635.db2.gz KOWLUAWAHKWKKQ-LEWJYISDSA-N 0 0 457.496 4.729 20 0 JJADRN Cc1ccc(I)c(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001436712942 1065427646 /nfs/dbraw/zinc/42/76/46/1065427646.db2.gz LKCGHIPIQODQET-CYBMUJFWSA-N 0 0 450.295 4.591 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC001436713723 1065427693 /nfs/dbraw/zinc/42/76/93/1065427693.db2.gz ICDPZBHVJUKTNA-QVKFZJNVSA-N 0 0 474.330 4.807 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc(F)c1Br ZINC001436713727 1065427701 /nfs/dbraw/zinc/42/77/01/1065427701.db2.gz ICGZPXKUIFVKMS-UHFFFAOYSA-N 0 0 451.361 4.863 20 0 JJADRN COc1ccc(/C=C\C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1OC ZINC001360502464 1065428197 /nfs/dbraw/zinc/42/81/97/1065428197.db2.gz URHMQCPLVVOUFV-ICFOKQHNSA-N 0 0 458.558 4.695 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@](C)(Cc3ccccc3)C(C)C)CC2)c(C)c1 ZINC001360502423 1065428360 /nfs/dbraw/zinc/42/83/60/1065428360.db2.gz STGQKICSRYAQFC-NEKDWFFYSA-N 0 0 450.623 4.647 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001436716237 1065428556 /nfs/dbraw/zinc/42/85/56/1065428556.db2.gz ZHQHBMBXSLVQGE-LEWJYISDSA-N 0 0 459.443 4.773 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccccc1Br ZINC001436716143 1065428576 /nfs/dbraw/zinc/42/85/76/1065428576.db2.gz XFUWASPHEINLDC-QFBILLFUSA-N 0 0 469.345 4.873 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Br ZINC001436715100 1065428660 /nfs/dbraw/zinc/42/86/60/1065428660.db2.gz QQPWQDWZXZCLQD-DOTOQJQBSA-N 0 0 461.709 4.863 20 0 JJADRN O=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001436717152 1065429256 /nfs/dbraw/zinc/42/92/56/1065429256.db2.gz NHDDUCOJEFUEFA-UHFFFAOYSA-N 0 0 455.318 4.791 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc(OC(F)F)cc1F ZINC001436717666 1065429314 /nfs/dbraw/zinc/42/93/14/1065429314.db2.gz PSYIHNHIKPJNSR-UHFFFAOYSA-N 0 0 457.290 4.584 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1 ZINC001360502884 1065429746 /nfs/dbraw/zinc/42/97/46/1065429746.db2.gz FLWZEHZABYXSFJ-DCFHFQCYSA-N 0 0 465.642 4.778 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C ZINC001360502890 1065429790 /nfs/dbraw/zinc/42/97/90/1065429790.db2.gz FOGUCDPSINVVDO-LJQANCHMSA-N 0 0 473.662 4.897 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 ZINC001360502895 1065429900 /nfs/dbraw/zinc/42/99/00/1065429900.db2.gz FPKAEJBHCKGILF-QUCCMNQESA-N 0 0 483.682 4.942 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C ZINC001360502889 1065429923 /nfs/dbraw/zinc/42/99/23/1065429923.db2.gz FOGUCDPSINVVDO-IBGZPJMESA-N 0 0 473.662 4.897 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360502917 1065429931 /nfs/dbraw/zinc/42/99/31/1065429931.db2.gz GCUSDYBKBSOOEI-IBGZPJMESA-N 0 0 494.640 4.807 20 0 JJADRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cnn(Cc2ccccc2)c1Br ZINC001436726456 1065430121 /nfs/dbraw/zinc/43/01/21/1065430121.db2.gz LFMJLNIQJMJKMI-UHFFFAOYSA-N 0 0 450.296 4.529 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCN1Cc1ccccc1 ZINC001436726413 1065430279 /nfs/dbraw/zinc/43/02/79/1065430279.db2.gz NHORWDIYBMDVGV-ZDUSSCGKSA-N 0 0 459.281 4.954 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001360503363 1065431545 /nfs/dbraw/zinc/43/15/45/1065431545.db2.gz JRQVOQHMYQESLX-FQEVSTJZSA-N 0 0 469.674 4.869 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001436735054 1065431980 /nfs/dbraw/zinc/43/19/80/1065431980.db2.gz KUUAWVSATLCRCZ-RYUDHWBXSA-N 0 0 453.274 4.732 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)no1 ZINC001360503660 1065432309 /nfs/dbraw/zinc/43/23/09/1065432309.db2.gz MYGQLSQOVBIYQN-UHFFFAOYSA-N 0 0 457.309 4.884 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001360503662 1065432483 /nfs/dbraw/zinc/43/24/83/1065432483.db2.gz MZJYSPPOCYXHIB-NWDGAFQWSA-N 0 0 450.280 4.654 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc(Cl)c1OCC(C)C ZINC001436735328 1065433115 /nfs/dbraw/zinc/43/31/15/1065433115.db2.gz CXUOLLNHZSLTPV-SFHVURJKSA-N 0 0 454.995 4.901 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001436738307 1065433726 /nfs/dbraw/zinc/43/37/26/1065433726.db2.gz GTYNRDOPUXHTEF-IUCAKERBSA-N 0 0 453.148 4.729 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCCC(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001436738423 1065433823 /nfs/dbraw/zinc/43/38/23/1065433823.db2.gz DINWUKWWUXMMGZ-QUCCMNQESA-N 0 0 450.000 4.745 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360503769 1065434145 /nfs/dbraw/zinc/43/41/45/1065434145.db2.gz NITIJKLDBDBWCE-MJGOQNOKSA-N 0 0 467.580 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc2cccnc21 ZINC001545900990 1065434767 /nfs/dbraw/zinc/43/47/67/1065434767.db2.gz YTFYKYXBXDUJEO-JOCHJYFZSA-N 0 0 478.641 4.577 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCCOC1 ZINC001360504328 1065434866 /nfs/dbraw/zinc/43/48/66/1065434866.db2.gz SUMFDDGANAPMIG-MRXNPFEDSA-N 0 0 486.414 4.546 20 0 JJADRN CC(C)c1c(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cnn1-c1ccccn1 ZINC001436748760 1065435683 /nfs/dbraw/zinc/43/56/83/1065435683.db2.gz FNUDZZOJCHCDBM-UHFFFAOYSA-N 0 0 454.943 4.727 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360504535 1065435953 /nfs/dbraw/zinc/43/59/53/1065435953.db2.gz WUPOWBSDUSSHPY-FQEVSTJZSA-N 0 0 496.656 4.704 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001436756243 1065437390 /nfs/dbraw/zinc/43/73/90/1065437390.db2.gz ZKEWWZGDJYHZGG-CRAIPNDOSA-N 0 0 453.421 4.922 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 ZINC001360505190 1065439802 /nfs/dbraw/zinc/43/98/02/1065439802.db2.gz JTSXNOWTEIWQJS-NWSQWKLXSA-N 0 0 499.656 4.550 20 0 JJADRN C[C@H](CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC001360505473 1065440838 /nfs/dbraw/zinc/44/08/38/1065440838.db2.gz OZDFMFSLFNUGBT-GOSISDBHSA-N 0 0 476.522 4.556 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCc2cccc(Br)c2Cl)[C@H]1c1cccc(Cl)c1 ZINC001436786366 1065440815 /nfs/dbraw/zinc/44/08/15/1065440815.db2.gz NUYBVRHVCIYFPF-KBXCAEBGSA-N 0 0 456.167 4.592 20 0 JJADRN O=C(NCc1cc(Cl)cc(Br)c1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001436787579 1065440895 /nfs/dbraw/zinc/44/08/95/1065440895.db2.gz CFDHRAQGFISVBV-INIZCTEOSA-N 0 0 457.755 4.925 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360505641 1065441595 /nfs/dbraw/zinc/44/15/95/1065441595.db2.gz RQUYLDNVZONQSC-HTAPYJJXSA-N 0 0 489.542 4.949 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001436804181 1065442468 /nfs/dbraw/zinc/44/24/68/1065442468.db2.gz NCCQUUXMMUJQPB-CVYDXHPNSA-N 0 0 453.396 4.771 20 0 JJADRN Cc1ccc(Br)c(OC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 ZINC001436804347 1065442620 /nfs/dbraw/zinc/44/26/20/1065442620.db2.gz FFSSZNMPYCKMCA-UHFFFAOYSA-N 0 0 455.333 4.802 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Cc1cccc(OC)c1Cl ZINC001360506157 1065443202 /nfs/dbraw/zinc/44/32/02/1065443202.db2.gz CIDXJKGCAZDHPK-RTWAWAEBSA-N 0 0 458.986 4.929 20 0 JJADRN CN(C)c1ccc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)cc1C(F)(F)F ZINC001436806667 1065443532 /nfs/dbraw/zinc/44/35/32/1065443532.db2.gz QKRRHVKMXUZSAA-GFCCVEGCSA-N 0 0 456.262 4.598 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Oc1ccc(Br)c(C(F)(F)F)c1 ZINC001436804454 1065443655 /nfs/dbraw/zinc/44/36/55/1065443655.db2.gz GCYKCWKDFTVCKP-INIZCTEOSA-N 0 0 458.230 4.957 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N3CC(C)(C)C[C@@H]3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436807484 1065444460 /nfs/dbraw/zinc/44/44/60/1065444460.db2.gz UHCZTZHPUBGJOR-VVMVZBAXSA-N 0 0 450.579 4.835 20 0 JJADRN CC[C@@H]1CN(C(=O)c2noc3c2CC(C)(C)CC3)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506566 1065444739 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C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC2CC2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001360516940 1065479363 /nfs/dbraw/zinc/47/93/63/1065479363.db2.gz WMZYSSAOJNCRBE-NZQKXSOJSA-N 0 0 467.658 4.803 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360517239 1065480136 /nfs/dbraw/zinc/48/01/36/1065480136.db2.gz ZAKDZGWILZFENO-XLIONFOSSA-N 0 0 493.052 4.708 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC001360517466 1065481034 /nfs/dbraw/zinc/48/10/34/1065481034.db2.gz GYRLCMJWASGSGC-LJAQVGFWSA-N 0 0 450.391 4.986 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001545903461 1065481125 /nfs/dbraw/zinc/48/11/25/1065481125.db2.gz AQVNSXPIROYVMG-QFQXNSOFSA-N 0 0 483.613 4.557 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1CC1(OC)CCCC1 ZINC001545903458 1065481144 /nfs/dbraw/zinc/48/11/44/1065481144.db2.gz APTMNTITCNKRTF-QFIPXVFZSA-N 0 0 469.630 4.506 20 0 JJADRN 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452.550 4.526 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccc2F)n1CCCNC(=O)OC(C)(C)C)c1nccs1 ZINC001360520414 1065492995 /nfs/dbraw/zinc/49/29/95/1065492995.db2.gz GIMOULSDNDXFAR-MRXNPFEDSA-N 0 0 474.606 4.695 20 0 JJADRN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(Br)nc(Br)c1 ZINC001437008270 1065493630 /nfs/dbraw/zinc/49/36/30/1065493630.db2.gz KEQXDJQUPLKPTD-GOSISDBHSA-N 0 0 456.153 4.983 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccn2)n1Cc1cc(Br)cs1)c1nccs1 ZINC001360521043 1065494708 /nfs/dbraw/zinc/49/47/08/1065494708.db2.gz PYLSENAGCAEHLG-CYBMUJFWSA-N 0 0 475.441 4.909 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccccn2)n1CCOc1ccccc1Cl)c1nccs1 ZINC001360520892 1065494762 /nfs/dbraw/zinc/49/47/62/1065494762.db2.gz OCAZDUIQEBWNSM-INIZCTEOSA-N 0 0 454.987 4.769 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccsc1Br)c1nccs1 ZINC001360521258 1065495789 /nfs/dbraw/zinc/49/57/89/1065495789.db2.gz SHVJDBFUWCQADK-LBPRGKRZSA-N 0 0 463.430 4.842 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C)c1nccs1 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/nfs/dbraw/zinc/51/77/41/1065517741.db2.gz ACXNTZNOOXCAFU-FGSXEWAUSA-N 0 0 457.594 4.572 20 0 JJADRN O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001437189376 1065517971 /nfs/dbraw/zinc/51/79/71/1065517971.db2.gz YQSRADMLFMIHJZ-HOCLYGCPSA-N 0 0 459.262 4.866 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC001437192067 1065518974 /nfs/dbraw/zinc/51/89/74/1065518974.db2.gz UKPJYHUEXVONJZ-LEWJYISDSA-N 0 0 481.346 4.665 20 0 JJADRN CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)[C@@H]1CCCCO1 ZINC001437192794 1065518992 /nfs/dbraw/zinc/51/89/92/1065518992.db2.gz CMEHGLFXHRTAIA-RTWAWAEBSA-N 0 0 454.571 4.629 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)F)N(C)C(=O)OC(C)(C)C ZINC001360536465 1065519003 /nfs/dbraw/zinc/51/90/03/1065519003.db2.gz NJUNODGCYJHBMO-AWEZNQCLSA-N 0 0 457.953 4.945 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360536328 1065519125 /nfs/dbraw/zinc/51/91/25/1065519125.db2.gz XBUJYHPBHPHOHE-QLFBSQMISA-N 0 0 462.367 4.735 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2nccs2)CC1)C(F)(F)F ZINC001360536749 1065519672 /nfs/dbraw/zinc/51/96/72/1065519672.db2.gz PONNKDXCFCSOOG-LSDHHAIUSA-N 0 0 484.979 4.932 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccc(F)cc1 ZINC001360536519 1065519711 /nfs/dbraw/zinc/51/97/11/1065519711.db2.gz YFCCVVBJUUZRKW-CVEARBPZSA-N 0 0 492.393 4.505 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCCC1)c1nccs1 ZINC001360536886 1065520171 /nfs/dbraw/zinc/52/01/71/1065520171.db2.gz SUHYVRMMSOXVFY-KRWDZBQOSA-N 0 0 473.668 4.625 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cccn(Cc2ccccc2)c1=O ZINC001437214976 1065520772 /nfs/dbraw/zinc/52/07/72/1065520772.db2.gz QLDXIQRGSOKGRW-UHFFFAOYSA-N 0 0 456.464 4.647 20 0 JJADRN C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCOCC1)N(C)C(=O)OC(C)(C)C ZINC001360537207 1065521130 /nfs/dbraw/zinc/52/11/30/1065521130.db2.gz YZIOCDWXUNWOCA-SFHVURJKSA-N 0 0 489.686 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C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001360538422 1065522841 /nfs/dbraw/zinc/52/28/41/1065522841.db2.gz JFFBSUKGFCCWLS-MRXNPFEDSA-N 0 0 454.368 4.549 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001360538421 1065522886 /nfs/dbraw/zinc/52/28/86/1065522886.db2.gz JFFBSUKGFCCWLS-INIZCTEOSA-N 0 0 454.368 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCc1ccc(F)cc1 ZINC001545905614 1065522960 /nfs/dbraw/zinc/52/29/60/1065522960.db2.gz FUXCDMRGZWOCSH-AREMUKBSSA-N 0 0 453.606 4.905 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1F ZINC001360538826 1065523317 /nfs/dbraw/zinc/52/33/17/1065523317.db2.gz RXYUALZYKCCDNT-UHFFFAOYSA-N 0 0 452.857 4.827 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCc2ccccc2NC1=O ZINC001437234416 1065524323 /nfs/dbraw/zinc/52/43/23/1065524323.db2.gz QVPCLPQZWAXRSJ-SFHVURJKSA-N 0 0 453.951 4.646 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(F)(F)CC1)Oc1ccc(F)cc1 ZINC001360540177 1065524427 /nfs/dbraw/zinc/52/44/27/1065524427.db2.gz AYCZKRNOSCJNBG-AWEZNQCLSA-N 0 0 451.880 4.836 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1)c1ccc(F)cc1 ZINC001360540168 1065524490 /nfs/dbraw/zinc/52/44/90/1065524490.db2.gz ASVJDGMGLYRIMO-QGZVFWFLSA-N 0 0 457.981 4.925 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc2[nH]ccc2c1Br ZINC001437249770 1065525652 /nfs/dbraw/zinc/52/56/52/1065525652.db2.gz AIKYUUZUEDESTG-MRXNPFEDSA-N 0 0 459.344 4.605 20 0 JJADRN CC(C)CN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cn1 ZINC001437254909 1065526197 /nfs/dbraw/zinc/52/61/97/1065526197.db2.gz WRHSQVIQICTEIS-UHFFFAOYSA-N 0 0 451.464 4.781 20 0 JJADRN Cc1c(Br)csc1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001437265411 1065527097 /nfs/dbraw/zinc/52/70/97/1065527097.db2.gz WTWPSRHTEXGOAA-UHFFFAOYSA-N 0 0 456.163 4.547 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)C1CCCCCC1 ZINC001437271467 1065527691 /nfs/dbraw/zinc/52/76/91/1065527691.db2.gz QUSKVTDEHZCQJF-IBGZPJMESA-N 0 0 454.514 4.531 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCCC1)Oc1ccc(F)cc1 ZINC001360541293 1065527865 /nfs/dbraw/zinc/52/78/65/1065527865.db2.gz OBISHYOHOYJENS-CYBMUJFWSA-N 0 0 451.365 4.976 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360541419 1065527878 /nfs/dbraw/zinc/52/78/78/1065527878.db2.gz LIJSEWJIEQJNHL-INIZCTEOSA-N 0 0 491.061 4.989 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)cnc2Br)cnn1-c1ccc(C)cc1 ZINC001437278352 1065528781 /nfs/dbraw/zinc/52/87/81/1065528781.db2.gz OKWRRGAYCOWYGV-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccc(Br)c1Cl ZINC001437282641 1065529561 /nfs/dbraw/zinc/52/95/61/1065529561.db2.gz AMAKXSMVGBCEBU-AWEZNQCLSA-N 0 0 454.752 4.572 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1 ZINC001437283990 1065530094 /nfs/dbraw/zinc/53/00/94/1065530094.db2.gz NNRJAZAAWACABD-BDTNDASRSA-N 0 0 456.970 4.594 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001437284333 1065530161 /nfs/dbraw/zinc/53/01/61/1065530161.db2.gz RHSKZLPUEZPILK-CWFSZBLJSA-N 0 0 455.576 4.640 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccon1)c1nccs1 ZINC001360541983 1065530333 /nfs/dbraw/zinc/53/03/33/1065530333.db2.gz VXRTXYZVSWCKAE-NSHDSACASA-N 0 0 465.402 4.654 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)c1 ZINC001437285757 1065530503 /nfs/dbraw/zinc/53/05/03/1065530503.db2.gz BXJZBIMLPWBEQU-GOSISDBHSA-N 0 0 456.391 4.945 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCOCC1 ZINC001360542129 1065530925 /nfs/dbraw/zinc/53/09/25/1065530925.db2.gz XSTFQIHPAALWTF-SJORKVTESA-N 0 0 466.457 4.845 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1cccs1)N1CCOCC1 ZINC001360542252 1065531258 /nfs/dbraw/zinc/53/12/58/1065531258.db2.gz ZBIBKFJXOOCDSD-GJZGRUSLSA-N 0 0 496.500 4.749 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)cc2)n1 ZINC001360542710 1065532151 /nfs/dbraw/zinc/53/21/51/1065532151.db2.gz CGXULILRGWYKQR-UHFFFAOYSA-N 0 0 457.328 4.572 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001360543382 1065532505 /nfs/dbraw/zinc/53/25/05/1065532505.db2.gz WGTILTMPVAYYPS-OCCSQVGLSA-N 0 0 454.415 4.754 20 0 JJADRN Cc1cc(C)cc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 ZINC001360543170 1065532629 /nfs/dbraw/zinc/53/26/29/1065532629.db2.gz AOUVSKBKLLIULZ-UHFFFAOYSA-N 0 0 456.995 4.754 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001437289634 1065532712 /nfs/dbraw/zinc/53/27/12/1065532712.db2.gz UFIUZSGVKYJQRC-QTEQDKRBSA-N 0 0 452.595 4.949 20 0 JJADRN Cc1c(Cl)ccc2c1N(C(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1Cl)CCC2 ZINC001360543702 1065533049 /nfs/dbraw/zinc/53/30/49/1065533049.db2.gz NBQODMJEVQVGHQ-UHFFFAOYSA-N 0 0 453.391 4.679 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)NCCc2cc(C)cc(C)c2)c2ccccc2)cc1 ZINC001360543598 1065533145 /nfs/dbraw/zinc/53/31/45/1065533145.db2.gz JQBDDCNIWAUQJL-UHFFFAOYSA-N 0 0 450.604 4.556 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544348 1065533683 /nfs/dbraw/zinc/53/36/83/1065533683.db2.gz HMMZVKDMPXYIGG-WMZOPIPTSA-N 0 0 467.536 4.979 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(Br)cc(I)c1)CC2 ZINC001437297115 1065534013 /nfs/dbraw/zinc/53/40/13/1065534013.db2.gz HOYGAFJGYIAXJL-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(C)C[C@@H](C)c1nccs1)Oc1cccc(F)c1 ZINC001360544464 1065534268 /nfs/dbraw/zinc/53/42/68/1065534268.db2.gz JQPFNTWOQQUBNK-IAGOWNOFSA-N 0 0 452.559 4.643 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(F)(F)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544539 1065534306 /nfs/dbraw/zinc/53/43/06/1065534306.db2.gz KWXTYOUPIUJRQB-HNNXBMFYSA-N 0 0 453.509 4.575 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360544774 1065534713 /nfs/dbraw/zinc/53/47/13/1065534713.db2.gz PRIMDQWELJWDTI-HOTGVXAUSA-N 0 0 489.045 4.962 20 0 JJADRN CC(F)(F)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001437305368 1065534844 /nfs/dbraw/zinc/53/48/44/1065534844.db2.gz QSEDCBVBRXLBOH-UHFFFAOYSA-N 0 0 456.942 4.645 20 0 JJADRN O=C(C[C@@H]1OCCc2ccccc21)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437305215 1065535032 /nfs/dbraw/zinc/53/50/32/1065535032.db2.gz STASJPUUBDTXGH-KRWDZBQOSA-N 0 0 456.258 4.897 20 0 JJADRN COCCN(C(=O)[C@@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437311532 1065535790 /nfs/dbraw/zinc/53/57/90/1065535790.db2.gz BBYIILJNCRNRQB-IBGZPJMESA-N 0 0 458.986 4.720 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001360545312 1065536040 /nfs/dbraw/zinc/53/60/40/1065536040.db2.gz BQTHGDMUMBYWDO-CVEARBPZSA-N 0 0 451.468 4.669 20 0 JJADRN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)C1 ZINC001437314216 1065536206 /nfs/dbraw/zinc/53/62/06/1065536206.db2.gz DQBSMMALGVGPCG-UGKGYDQZSA-N 0 0 450.526 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CSC)n1CC[C@@H]1CCc2ccccc21 ZINC001545906235 1065536296 /nfs/dbraw/zinc/53/62/96/1065536296.db2.gz URORUUGJDHMXPS-FPOVZHCZSA-N 0 0 455.672 4.648 20 0 JJADRN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)C1 ZINC001437314213 1065536428 /nfs/dbraw/zinc/53/64/28/1065536428.db2.gz DQBSMMALGVGPCG-KNQAVFIVSA-N 0 0 450.526 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1CC[C@H]1CCc2ccccc21 ZINC001545906237 1065536940 /nfs/dbraw/zinc/53/69/40/1065536940.db2.gz URORUUGJDHMXPS-TZIWHRDSSA-N 0 0 455.672 4.648 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360545770 1065536966 /nfs/dbraw/zinc/53/69/66/1065536966.db2.gz JXXZUEZWIGMSND-NHCUHLMSSA-N 0 0 492.624 4.643 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001360545895 1065537016 /nfs/dbraw/zinc/53/70/16/1065537016.db2.gz MVHOSUWYDSJLMP-DLBZAZTESA-N 0 0 494.949 4.534 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360546298 1065537630 /nfs/dbraw/zinc/53/76/30/1065537630.db2.gz QGPOEWVOZNBICE-ICSRJNTNSA-N 0 0 499.059 4.536 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCCCC[C@H]21)N(C)C(=O)OC(C)(C)C ZINC001360546669 1065538048 /nfs/dbraw/zinc/53/80/48/1065538048.db2.gz SVPGQFBDRCKLQX-HSALFYBXSA-N 0 0 456.635 4.698 20 0 JJADRN COc1ccc(C(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)cc1S(=O)(=O)N(C)C ZINC001437337435 1065538184 /nfs/dbraw/zinc/53/81/84/1065538184.db2.gz SYZOCFPRUYWSSZ-FJDUUPPCSA-N 0 0 458.624 4.551 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)[C@H](C)CO1 ZINC001437338951 1065538899 /nfs/dbraw/zinc/53/88/99/1065538899.db2.gz WNFHZSLTCOWDEH-SJLPKXTDSA-N 0 0 450.535 4.567 20 0 JJADRN CC[C@@H]1CCCCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001360547661 1065539317 /nfs/dbraw/zinc/53/93/17/1065539317.db2.gz PJPFOUODDVVFCD-OAQYLSRUSA-N 0 0 456.608 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CC)n1Cc1ccccc1OC(F)(F)F ZINC001545906386 1065539407 /nfs/dbraw/zinc/53/94/07/1065539407.db2.gz XYBLKBSVTRVHBB-KRWDZBQOSA-N 0 0 453.509 4.522 20 0 JJADRN O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001360548224 1065539794 /nfs/dbraw/zinc/53/97/94/1065539794.db2.gz KYLPAAMTYLMKGP-QHCPKHFHSA-N 0 0 454.904 4.735 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)NCc2cccc(Oc3ccccc3F)c2)cc1 ZINC001437347420 1065539956 /nfs/dbraw/zinc/53/99/56/1065539956.db2.gz KXRXNFQNLNARKS-UHFFFAOYSA-N 0 0 454.523 4.615 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360548931 1065540304 /nfs/dbraw/zinc/54/03/04/1065540304.db2.gz IMLFYYBHTWBAKZ-MZKRTTBSSA-N 0 0 476.625 4.978 20 0 JJADRN Cn1cc(-c2nn(C)cc2C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)cn1 ZINC001437349125 1065540531 /nfs/dbraw/zinc/54/05/31/1065540531.db2.gz QHGIAQFBAJXYTH-UHFFFAOYSA-N 0 0 452.312 4.628 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC001360549290 1065540704 /nfs/dbraw/zinc/54/07/04/1065540704.db2.gz PLAYZHIOPFRAMF-HNNXBMFYSA-N 0 0 473.478 4.672 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360549402 1065540932 /nfs/dbraw/zinc/54/09/32/1065540932.db2.gz RPPLRDNRZOWZRG-FQEVSTJZSA-N 0 0 478.666 4.604 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1Cc1csc([C@@H](C)OC)n1 ZINC001545906433 1065540806 /nfs/dbraw/zinc/54/08/06/1065540806.db2.gz YSDWBVLGAYHDCG-IQGLISFBSA-N 0 0 486.686 4.735 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccccc1F ZINC001437353230 1065540964 /nfs/dbraw/zinc/54/09/64/1065540964.db2.gz YSRNASUVZDVYOS-QRWLVFNGSA-N 0 0 452.979 4.781 20 0 JJADRN COc1cc(CCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(F)(F)F ZINC001437360070 1065541716 /nfs/dbraw/zinc/54/17/16/1065541716.db2.gz KEMHKDVUWUIMIU-UHFFFAOYSA-N 0 0 451.420 4.841 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360550187 1065541731 /nfs/dbraw/zinc/54/17/31/1065541731.db2.gz HHYYOCQYISXSNV-OALUTQOASA-N 0 0 498.603 4.621 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)Cc1ccc(Br)c(F)c1)c1ccccc1 ZINC001437363530 1065542173 /nfs/dbraw/zinc/54/21/73/1065542173.db2.gz NNMGHHRMIGUJAA-JOCHJYFZSA-N 0 0 450.348 4.547 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccccc1 ZINC001437360467 1065542239 /nfs/dbraw/zinc/54/22/39/1065542239.db2.gz FKGGZWJAGAAFNP-VWLOTQADSA-N 0 0 451.954 4.826 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 ZINC001360551716 1065542948 /nfs/dbraw/zinc/54/29/48/1065542948.db2.gz WMZGPXSWUWLLEA-UHFFFAOYSA-N 0 0 453.442 4.764 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)c2ccc(N3CCCc4ccccc43)cc2)c1 ZINC001437369702 1065543480 /nfs/dbraw/zinc/54/34/80/1065543480.db2.gz XENDMGVEPHMTGJ-UHFFFAOYSA-N 0 0 451.320 4.852 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001360552571 1065543601 /nfs/dbraw/zinc/54/36/01/1065543601.db2.gz WOCOQWFJOZTVHV-GOSISDBHSA-N 0 0 453.995 4.966 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC001437370513 1065543683 /nfs/dbraw/zinc/54/36/83/1065543683.db2.gz ZVJMRTUDCJEPNC-SANMLTNESA-N 0 0 455.570 4.581 20 0 JJADRN C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC001360553078 1065544049 /nfs/dbraw/zinc/54/40/49/1065544049.db2.gz HUPXWQDXCLZUQM-HNNXBMFYSA-N 0 0 469.412 4.999 20 0 JJADRN C[C@H](Cn1c(-c2cnccn2)nnc1N(CCC(F)(F)F)CC1CC1)Oc1cccc(F)c1 ZINC001360553185 1065544110 /nfs/dbraw/zinc/54/41/10/1065544110.db2.gz JFSKKKDALMAMTD-OAHLLOKOSA-N 0 0 464.467 4.511 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360553856 1065544604 /nfs/dbraw/zinc/54/46/04/1065544604.db2.gz DPEPFVMDMBFMNS-MOPGFXCFSA-N 0 0 487.620 4.845 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1)Oc1cccc(F)c1 ZINC001360553660 1065544665 /nfs/dbraw/zinc/54/46/65/1065544665.db2.gz CAEFHNDFCFIOFG-CQSZACIVSA-N 0 0 495.418 4.585 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360553726 1065544725 /nfs/dbraw/zinc/54/47/25/1065544725.db2.gz CLNZVDFUOBXBLI-PXNSSMCTSA-N 0 0 485.604 4.649 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC001437379271 1065544809 /nfs/dbraw/zinc/54/48/09/1065544809.db2.gz MKALKWYZPFFMAC-CRAIPNDOSA-N 0 0 456.505 4.831 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC001437376889 1065544902 /nfs/dbraw/zinc/54/49/02/1065544902.db2.gz CEONHJKRVBZUMT-JOCHJYFZSA-N 0 0 453.558 4.508 20 0 JJADRN C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCSC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360554374 1065545246 /nfs/dbraw/zinc/54/52/46/1065545246.db2.gz WMLKTDBWUYNGMR-DLBZAZTESA-N 0 0 470.643 4.624 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437381940 1065545367 /nfs/dbraw/zinc/54/53/67/1065545367.db2.gz SZRDWEVOUGJGDI-UHFFFAOYSA-N 0 0 456.373 4.859 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC001437379308 1065545540 /nfs/dbraw/zinc/54/55/40/1065545540.db2.gz MKALKWYZPFFMAC-YJBOKZPZSA-N 0 0 456.505 4.831 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437379796 1065545576 /nfs/dbraw/zinc/54/55/76/1065545576.db2.gz OAYUQFZNQGURHG-ZDUSSCGKSA-N 0 0 458.183 4.872 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)c2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360554940 1065545770 /nfs/dbraw/zinc/54/57/70/1065545770.db2.gz QCGSFVLAMCOAFF-GOSISDBHSA-N 0 0 467.614 4.510 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)Oc1ccccc1 ZINC001360554951 1065545860 /nfs/dbraw/zinc/54/58/60/1065545860.db2.gz QKOAAUBADVKLFL-LJQANCHMSA-N 0 0 469.630 4.706 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360554854 1065545916 /nfs/dbraw/zinc/54/59/16/1065545916.db2.gz OQZPCOFBQVUYMZ-UTKZUKDTSA-N 0 0 457.594 4.934 20 0 JJADRN CC[C@@]1(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437383879 1065546034 /nfs/dbraw/zinc/54/60/34/1065546034.db2.gz YXNJTIFNLDQWLU-JOCHJYFZSA-N 0 0 456.414 4.679 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NCCC1CCOCC1 ZINC001360557226 1065546294 /nfs/dbraw/zinc/54/62/94/1065546294.db2.gz RATYAFXNNWXRCR-UHFFFAOYSA-N 0 0 456.999 4.613 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360557734 1065546725 /nfs/dbraw/zinc/54/67/25/1065546725.db2.gz FCUFWPAGXDWUIU-MRXNPFEDSA-N 0 0 491.036 4.529 20 0 JJADRN CC(=O)N[C@H](CC(=O)Oc1ccc(NC(=O)OC(C)C)cc1Cl)c1c(F)cccc1F ZINC001437399485 1065547387 /nfs/dbraw/zinc/54/73/87/1065547387.db2.gz UZBPBYSPBHSETE-QGZVFWFLSA-N 0 0 454.857 4.748 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)c(Cl)c1 ZINC001437400786 1065547475 /nfs/dbraw/zinc/54/74/75/1065547475.db2.gz YHFZZWKQKFQDTR-UHFFFAOYSA-N 0 0 450.829 4.710 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)Nc3cccc(C(C)C)c3)CCCC2)c1 ZINC001437412304 1065547925 /nfs/dbraw/zinc/54/79/25/1065547925.db2.gz NBHQWKSZYFLJPS-UHFFFAOYSA-N 0 0 457.592 4.695 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC001437412477 1065548057 /nfs/dbraw/zinc/54/80/57/1065548057.db2.gz NZQIIOREQRMRQS-DFBJGRDBSA-N 0 0 458.599 4.501 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC001437412479 1065548076 /nfs/dbraw/zinc/54/80/76/1065548076.db2.gz NZQIIOREQRMRQS-KBMIEXCESA-N 0 0 458.599 4.501 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccc(Cl)cc1 ZINC001360558817 1065548127 /nfs/dbraw/zinc/54/81/27/1065548127.db2.gz CMJRWSXHPNKNPO-QFBILLFUSA-N 0 0 462.019 4.776 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437416455 1065548345 /nfs/dbraw/zinc/54/83/45/1065548345.db2.gz NPZYSIMTJRLUCH-YLJYHZDGSA-N 0 0 455.603 4.763 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](C)Oc2cccc(F)c2)cn1 ZINC001360559195 1065548547 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OLARWHGHTZFWOR-QHAWAJNXSA-N 0 0 457.688 4.662 20 0 JJADRN CCc1nc(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)nn1-c1ccccc1Cl ZINC001437422136 1065550588 /nfs/dbraw/zinc/55/05/88/1065550588.db2.gz XQLIJPQQRJMEBH-UHFFFAOYSA-N 0 0 451.889 4.740 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001437422754 1065550697 /nfs/dbraw/zinc/55/06/97/1065550697.db2.gz NZZDHYFQCBSFIA-XDHUDOTRSA-N 0 0 458.990 4.601 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CCc1ncc(-c3ccc(F)cc3F)o1)C2 ZINC001437422510 1065550744 /nfs/dbraw/zinc/55/07/44/1065550744.db2.gz MNYVFOGONQWRKF-LMKMVOKYSA-N 0 0 475.536 4.706 20 0 JJADRN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](C)Sc2ccccc2)C1 ZINC001360560332 1065551011 /nfs/dbraw/zinc/55/10/11/1065551011.db2.gz VCXSSRPSBGWSMP-TZIWHRDSSA-N 0 0 455.672 4.858 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(F)cc(F)c1)N(C)C(=O)OC(C)(C)C ZINC001360560621 1065551514 /nfs/dbraw/zinc/55/15/14/1065551514.db2.gz ZRBUVPHIXJZTDP-JXFKEZNVSA-N 0 0 479.572 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1065580091 /nfs/dbraw/zinc/58/00/91/1065580091.db2.gz RSDXGYXRHLOBTF-KRWDZBQOSA-N 0 0 462.038 4.728 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC001360582596 1065580202 /nfs/dbraw/zinc/58/02/02/1065580202.db2.gz VTCKZENAPIDCHD-RHSMWYFYSA-N 0 0 453.327 4.588 20 0 JJADRN C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360582892 1065580222 /nfs/dbraw/zinc/58/02/22/1065580222.db2.gz RWYMKBUOWCCDOR-FYYLOGMGSA-N 0 0 499.700 4.960 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC001360582554 1065580231 /nfs/dbraw/zinc/58/02/31/1065580231.db2.gz UYBDXSFFRIWORZ-UDNBHOFDSA-N 0 0 459.514 4.619 20 0 JJADRN C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360583260 1065580736 /nfs/dbraw/zinc/58/07/36/1065580736.db2.gz ZUHLVMCDFURALT-MRXNPFEDSA-N 0 0 499.965 4.690 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c1cccc2OC ZINC001437581911 1065581358 /nfs/dbraw/zinc/58/13/58/1065581358.db2.gz GXZPHFUROJZTCL-SIBVEZHUSA-N 0 0 456.558 4.638 20 0 JJADRN Cc1cccc(C)c1[C@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001437584488 1065581759 /nfs/dbraw/zinc/58/17/59/1065581759.db2.gz KWQBLRNLPABVSF-XMMPIXPASA-N 0 0 454.636 4.774 20 0 JJADRN C[C@H](CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1ccc(F)cc1)c1nccs1 ZINC001360583614 1065581888 /nfs/dbraw/zinc/58/18/88/1065581888.db2.gz HANUNQFTKYXBNU-IAGOWNOFSA-N 0 0 498.653 4.909 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001360583611 1065581915 /nfs/dbraw/zinc/58/19/15/1065581915.db2.gz GZIGXJOFKFJSQA-OKZBNKHCSA-N 0 0 455.603 4.695 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360583626 1065581924 /nfs/dbraw/zinc/58/19/24/1065581924.db2.gz HCEYXFHJBUXWMM-SJORKVTESA-N 0 0 464.010 4.755 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360583624 1065581995 /nfs/dbraw/zinc/58/19/95/1065581995.db2.gz HCEYXFHJBUXWMM-IAGOWNOFSA-N 0 0 464.010 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001545907912 1065582126 /nfs/dbraw/zinc/58/21/26/1065582126.db2.gz UDIHCVQOKHYQGS-IPMKNSEASA-N 0 0 453.631 4.756 20 0 JJADRN CCN(C(C)=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cn1 ZINC001437588853 1065582326 /nfs/dbraw/zinc/58/23/26/1065582326.db2.gz JAEAHGZVIPRLAQ-UHFFFAOYSA-N 0 0 455.518 4.568 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC001437592398 1065582927 /nfs/dbraw/zinc/58/29/27/1065582927.db2.gz VGALODHQQMBIDU-OAHLLOKOSA-N 0 0 457.361 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1Cc1cscc1C(F)(F)F ZINC001545908002 1065582955 /nfs/dbraw/zinc/58/29/55/1065582955.db2.gz WCEQFHMQSZBDCH-HNNXBMFYSA-N 0 0 487.592 4.578 20 0 JJADRN CC(C)c1nc(C(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001437593926 1065582991 /nfs/dbraw/zinc/58/29/91/1065582991.db2.gz WZECMBZJFNCIJY-ZDUSSCGKSA-N 0 0 458.349 4.681 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001545908021 1065583404 /nfs/dbraw/zinc/58/34/04/1065583404.db2.gz WMLIJCGZQMDBQM-OAQYLSRUSA-N 0 0 461.054 4.533 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)Nc3ccc(Nc4cccc(OC(F)(F)F)c4)cn3)ccc21 ZINC001437597511 1065583592 /nfs/dbraw/zinc/58/35/92/1065583592.db2.gz BWBMHELWPZJDCG-UHFFFAOYSA-N 0 0 456.424 4.885 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NCC[S@@](=O)CC(F)(F)F)c2C1 ZINC001437604644 1065584036 /nfs/dbraw/zinc/58/40/36/1065584036.db2.gz ODWBBGYZLDLVJM-LHEBDHONSA-N 0 0 454.558 4.817 20 0 JJADRN CCc1ccc(C)nc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001437604428 1065584070 /nfs/dbraw/zinc/58/40/70/1065584070.db2.gz ARNUASWYQFTESW-UHFFFAOYSA-N 0 0 454.250 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545908126 1065584684 /nfs/dbraw/zinc/58/46/84/1065584684.db2.gz YSDLOSGVRJNAEJ-SFHLNBCPSA-N 0 0 471.621 4.707 20 0 JJADRN Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)c1 ZINC001437611599 1065584801 /nfs/dbraw/zinc/58/48/01/1065584801.db2.gz CQRBMSWHOCVGJN-UHFFFAOYSA-N 0 0 459.937 4.607 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)c1cccc(Cn2cncn2)c1)C(F)(F)F ZINC001437617466 1065585258 /nfs/dbraw/zinc/58/52/58/1065585258.db2.gz GVEJQSHSNFPQKC-QGZVFWFLSA-N 0 0 454.246 4.858 20 0 JJADRN COc1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1S(=O)(=O)NC1CC1 ZINC001360584901 1065585425 /nfs/dbraw/zinc/58/54/25/1065585425.db2.gz LPPSBBKUPKQDSO-UHFFFAOYSA-N 0 0 456.608 4.737 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)COc2ccccc2OCc2ccccc2)n1 ZINC001437626729 1065585803 /nfs/dbraw/zinc/58/58/03/1065585803.db2.gz ATAXYWJPRYADRV-UHFFFAOYSA-N 0 0 454.939 4.794 20 0 JJADRN Cn1cc([C@@H]2[C@H](C(=O)NCCc3ccc(C4CCCCC4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001437623132 1065585951 /nfs/dbraw/zinc/58/59/51/1065585951.db2.gz PPGZROSJQVYAFZ-ILBGXUMGSA-N 0 0 450.627 4.515 20 0 JJADRN Cn1cc([C@@H]2[C@@H](C(=O)NCCc3ccc(C4CCCCC4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001437623138 1065585974 /nfs/dbraw/zinc/58/59/74/1065585974.db2.gz PPGZROSJQVYAFZ-UKILVPOCSA-N 0 0 450.627 4.515 20 0 JJADRN CC(C)c1noc2ncc(C(=O)NCc3cc(Cl)ccc3I)cc21 ZINC001437627983 1065586444 /nfs/dbraw/zinc/58/64/44/1065586444.db2.gz NHVOIQRRWKKTSJ-UHFFFAOYSA-N 0 0 455.683 4.534 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)CC(=O)N2C(C)(C)C)cn1 ZINC001437635777 1065587044 /nfs/dbraw/zinc/58/70/44/1065587044.db2.gz HAEUVCKUYKQPCC-DHKLJZFPSA-N 0 0 480.609 4.666 20 0 JJADRN CC(C)C[C@H](C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001437642505 1065587719 /nfs/dbraw/zinc/58/77/19/1065587719.db2.gz JHMLOOIBDRWFDO-JZWVFAODSA-N 0 0 459.034 4.708 20 0 JJADRN O=C(Nc1ncc(F)cc1Br)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001437646858 1065587793 /nfs/dbraw/zinc/58/77/93/1065587793.db2.gz ROFXVGKXZXVRJF-UHFFFAOYSA-N 0 0 452.287 4.542 20 0 JJADRN C[C@@H](Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587236 1065588334 /nfs/dbraw/zinc/58/83/34/1065588334.db2.gz NVFRXUDQCLUWNT-KRWDZBQOSA-N 0 0 467.643 4.626 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccon1)Sc1ccccc1 ZINC001360587109 1065588373 /nfs/dbraw/zinc/58/83/73/1065588373.db2.gz KSDLSBUQJPKDTH-GGPKGHCWSA-N 0 0 498.653 4.854 20 0 JJADRN C[C@@H](Cn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C)c1nccs1 ZINC001360587325 1065588441 /nfs/dbraw/zinc/58/84/41/1065588441.db2.gz MHFKHWRHDLHHNN-SFHVURJKSA-N 0 0 482.654 4.541 20 0 JJADRN C[C@H](Cn1c(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360587348 1065588548 /nfs/dbraw/zinc/58/85/48/1065588548.db2.gz MHVDOWXNLDQQDN-MOPGFXCFSA-N 0 0 489.636 4.875 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)CCS1 ZINC001360587303 1065588583 /nfs/dbraw/zinc/58/85/83/1065588583.db2.gz LZVHDHPVLQAPSQ-APWZRJJASA-N 0 0 461.632 4.834 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)/C=C/c1ccc(Cl)s1 ZINC001437669519 1065589644 /nfs/dbraw/zinc/58/96/44/1065589644.db2.gz SZYIJKJXFKDDHP-RCMYXZNBSA-N 0 0 458.761 4.559 20 0 JJADRN C[C@@H](Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360588019 1065591236 /nfs/dbraw/zinc/59/12/36/1065591236.db2.gz WLGTZXSMRBVNEG-ICSRJNTNSA-N 0 0 493.656 4.560 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3ccc4c(c3)CC(C)(C)O4)cc2)C1 ZINC001437686777 1065591442 /nfs/dbraw/zinc/59/14/42/1065591442.db2.gz OGVFVZHTYTZURZ-JOCHJYFZSA-N 0 0 452.551 4.961 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001545908800 1065591507 /nfs/dbraw/zinc/59/15/07/1065591507.db2.gz OCNLNTAXMDUVRF-YCYVKTGYSA-N 0 0 460.615 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cnc([C@@H]4CCCO4)s3)cc2)C1 ZINC001437688446 1065591538 /nfs/dbraw/zinc/59/15/38/1065591538.db2.gz UVZICKCZXWLKBL-ZWKOTPCHSA-N 0 0 459.568 4.555 20 0 JJADRN C[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)CCC(F)(F)F)N(C)C(=O)OC(C)(C)C ZINC001360588296 1065591641 /nfs/dbraw/zinc/59/16/41/1065591641.db2.gz UEOGNLDRQZRJNW-HNNXBMFYSA-N 0 0 489.514 4.640 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001360588084 1065591656 /nfs/dbraw/zinc/59/16/56/1065591656.db2.gz RMRVDKNMWMYXLI-ROUUACIJSA-N 0 0 459.610 4.869 20 0 JJADRN C[C@@H](Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360588196 1065591816 /nfs/dbraw/zinc/59/18/16/1065591816.db2.gz XOEKTTQBEOJOFO-TZPNTHKFSA-N 0 0 490.048 4.800 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)CCC2 ZINC001437692172 1065591960 /nfs/dbraw/zinc/59/19/60/1065591960.db2.gz JFNXWBGIIJVIKW-JOCHJYFZSA-N 0 0 459.384 4.583 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1 ZINC001437689796 1065592047 /nfs/dbraw/zinc/59/20/47/1065592047.db2.gz AQNFRGSCFGKSOK-IBGZPJMESA-N 0 0 459.587 4.624 20 0 JJADRN C[C@H](Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360588489 1065592150 /nfs/dbraw/zinc/59/21/50/1065592150.db2.gz XPKLLVGTFLUITJ-LJQANCHMSA-N 0 0 485.648 4.848 20 0 JJADRN C[C@@H](Cn1c(N2CCC(CNC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360588467 1065592429 /nfs/dbraw/zinc/59/24/29/1065592429.db2.gz WZALLKCXHXWDLX-SFHVURJKSA-N 0 0 489.636 4.923 20 0 JJADRN Cc1cc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cnc1C(F)(F)F ZINC001437695699 1065592744 /nfs/dbraw/zinc/59/27/44/1065592744.db2.gz QVLHGJWHKUWGQB-BOPFTXTBSA-N 0 0 456.453 4.761 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)NCc2c(Cl)oc3ccccc32)=NN1c1ccccc1 ZINC001437705414 1065594038 /nfs/dbraw/zinc/59/40/38/1065594038.db2.gz WNARSTWFPUODCI-LJQANCHMSA-N 0 0 453.926 4.679 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001437703933 1065594080 /nfs/dbraw/zinc/59/40/80/1065594080.db2.gz URRUSQPJXAABBS-MAUKXSAKSA-N 0 0 456.505 4.812 20 0 JJADRN COc1cc2c(cc1CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)O[C@H](C)C2 ZINC001545908951 1065594400 /nfs/dbraw/zinc/59/44/00/1065594400.db2.gz RRSJMZMOFDSPIA-SEPYTNNBSA-N 0 0 454.567 4.537 20 0 JJADRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001437711827 1065595273 /nfs/dbraw/zinc/59/52/73/1065595273.db2.gz BGWBBPFOQHPREL-UHFFFAOYSA-N 0 0 459.373 4.732 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C)c1nccs1 ZINC001360590478 1065595589 /nfs/dbraw/zinc/59/55/89/1065595589.db2.gz KBWNLRLDVZWYGJ-IRXDYDNUSA-N 0 0 460.648 4.989 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1)Oc1ccccc1F ZINC001360590387 1065595692 /nfs/dbraw/zinc/59/56/92/1065595692.db2.gz IOGIMQGOSBTOFL-QUCCMNQESA-N 0 0 471.577 4.723 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC1CCOCC1)N(C)c1ccccc1 ZINC001360590508 1065595754 /nfs/dbraw/zinc/59/57/54/1065595754.db2.gz KJSXVUJDKLLNEK-FTBPSBKWSA-N 0 0 483.701 4.975 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccc(F)cc1 ZINC001360590754 1065596335 /nfs/dbraw/zinc/59/63/35/1065596335.db2.gz PQFVJMCKUSYWNX-DNVCBOLYSA-N 0 0 456.484 4.905 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)c1cccc(OC)c1 ZINC001437730002 1065596597 /nfs/dbraw/zinc/59/65/97/1065596597.db2.gz RJSXTLDDDFMHNG-VWLOTQADSA-N 0 0 455.514 4.500 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360590901 1065596880 /nfs/dbraw/zinc/59/68/80/1065596880.db2.gz SJHBXXFBBFFBNN-TUNNFDKTSA-N 0 0 469.630 4.627 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)c1cc(I)c(F)cc1F ZINC001437733669 1065596988 /nfs/dbraw/zinc/59/69/88/1065596988.db2.gz GPNSEELAQJDFSJ-OAHLLOKOSA-N 0 0 451.201 4.566 20 0 JJADRN O=C(c1cccc(OCc2cscn2)c1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001437734252 1065597004 /nfs/dbraw/zinc/59/70/04/1065597004.db2.gz SPYMDBMFHXTBLC-HXUWFJFHSA-N 0 0 459.365 4.698 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C)c1ccc(F)cc1 ZINC001360590949 1065597351 /nfs/dbraw/zinc/59/73/51/1065597351.db2.gz TWKARQZTGNUIIN-OPYAIIAOSA-N 0 0 473.593 4.518 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)C2)c1 ZINC001437738120 1065597861 /nfs/dbraw/zinc/59/78/61/1065597861.db2.gz YBAMSNANKJCOFM-NVQXNPDNSA-N 0 0 456.558 4.633 20 0 JJADRN Cc1cc(Br)c(F)cc1OC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437742532 1065598229 /nfs/dbraw/zinc/59/82/29/1065598229.db2.gz FAIGMRQWIBDBTK-UHFFFAOYSA-N 0 0 450.304 4.851 20 0 JJADRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1c(F)cccc1I ZINC001437746051 1065598792 /nfs/dbraw/zinc/59/87/92/1065598792.db2.gz UHEIWESJUIVYGB-INIZCTEOSA-N 0 0 457.258 4.562 20 0 JJADRN Cc1sc(=O)n(CC(=O)Oc2cc(F)c(Br)cc2C)c1-c1ccc(F)cc1 ZINC001437744339 1065598814 /nfs/dbraw/zinc/59/88/14/1065598814.db2.gz LMZNUBQCPONMFX-UHFFFAOYSA-N 0 0 454.292 4.840 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3ccc4cncc(Br)c4n3)nc2)c1 ZINC001437747997 1065599924 /nfs/dbraw/zinc/59/99/24/1065599924.db2.gz FOOWSFZQNHHHIC-UHFFFAOYSA-N 0 0 450.296 4.792 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001437765028 1065602219 /nfs/dbraw/zinc/60/22/19/1065602219.db2.gz CRBXDELSKLAAHG-PGRDOPGGSA-N 0 0 451.405 4.944 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)CCc1nnc(C3CCCC3)o1)CCC2 ZINC001437772494 1065603662 /nfs/dbraw/zinc/60/36/62/1065603662.db2.gz VQIAMTKONNVXPQ-UHFFFAOYSA-N 0 0 454.571 4.664 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC[C@H]3c3cccc(C)c3)C2)cc1 ZINC001360595660 1065607641 /nfs/dbraw/zinc/60/76/41/1065607641.db2.gz BSKIBCZUUIVTHP-NOZRDPDXSA-N 0 0 454.636 4.848 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 ZINC001437791292 1065607798 /nfs/dbraw/zinc/60/77/98/1065607798.db2.gz GANIYCZOHWJWFG-UHFFFAOYSA-N 0 0 456.014 4.872 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)nnn1Cc1ccc(F)cc1F ZINC001437792360 1065607879 /nfs/dbraw/zinc/60/78/79/1065607879.db2.gz SPSLFAJZPXTQLL-UHFFFAOYSA-N 0 0 457.481 4.537 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001360595846 1065608276 /nfs/dbraw/zinc/60/82/76/1065608276.db2.gz IKDRBUNOVLUXIW-UHFFFAOYSA-N 0 0 456.564 4.510 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1F ZINC001437793810 1065608485 /nfs/dbraw/zinc/60/84/85/1065608485.db2.gz WSQLWPXHNKBPMB-CQSZACIVSA-N 0 0 459.420 4.876 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)COC(c1ccccc1)c1ccccc1 ZINC001360596402 1065609156 /nfs/dbraw/zinc/60/91/56/1065609156.db2.gz ZRJGWZHZECOADH-DEOSSOPVSA-N 0 0 458.558 4.739 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437796164 1065609250 /nfs/dbraw/zinc/60/92/50/1065609250.db2.gz ZMFMBXUKDZTNQD-TUNNFDKTSA-N 0 0 458.647 4.864 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001437795541 1065609406 /nfs/dbraw/zinc/60/94/06/1065609406.db2.gz FQESIQJKXRAEQZ-CRAIPNDOSA-N 0 0 456.251 4.844 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(I)cc1Cl ZINC001437799707 1065610885 /nfs/dbraw/zinc/61/08/85/1065610885.db2.gz RQVKBWLHMVUMHL-UKRRQHHQSA-N 0 0 481.639 4.609 20 0 JJADRN C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813370 1065613176 /nfs/dbraw/zinc/61/31/76/1065613176.db2.gz SYCZNVFDFZDYCT-ORAYPTAESA-N 0 0 455.368 4.695 20 0 JJADRN Cc1cc(Br)c(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1 ZINC001437812842 1065613418 /nfs/dbraw/zinc/61/34/18/1065613418.db2.gz HIGNZNGGDWZQHK-LJQANCHMSA-N 0 0 457.393 4.997 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(OC)c1 ZINC001437818338 1065614885 /nfs/dbraw/zinc/61/48/85/1065614885.db2.gz GGTCKKXGZAODLL-HNNXBMFYSA-N 0 0 456.589 4.987 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)CCN1C(=O)OC(C)(C)C ZINC001437816757 1065614899 /nfs/dbraw/zinc/61/48/99/1065614899.db2.gz VVECAIIRRRTIOE-ZWKOTPCHSA-N 0 0 476.980 4.671 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CCO[C@@H](c4cccc(Cl)c4)[C@@H]3C)no2)c1 ZINC001437837436 1065616802 /nfs/dbraw/zinc/61/68/02/1065616802.db2.gz LCUKSAJDNLXHJN-NPMXOYFQSA-N 0 0 454.910 4.712 20 0 JJADRN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001437838188 1065617633 /nfs/dbraw/zinc/61/76/33/1065617633.db2.gz ILLFWXVFIFBFGU-UHFFFAOYSA-N 0 0 459.449 4.530 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437841927 1065618465 /nfs/dbraw/zinc/61/84/65/1065618465.db2.gz VIGLOGKUZKAVIJ-HJOCRKTISA-N 0 0 454.998 4.628 20 0 JJADRN COc1ccccc1CN(CCO)C(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 ZINC001545910068 1065619012 /nfs/dbraw/zinc/61/90/12/1065619012.db2.gz FPQFTQNAKFJIQE-UHFFFAOYSA-N 0 0 452.576 4.767 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437843024 1065619042 /nfs/dbraw/zinc/61/90/42/1065619042.db2.gz ZFYSRNMBCRGNIL-QRXQEZHUSA-N 0 0 460.958 4.892 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@@H]1CCCSc2ccc(Br)cc21)N1CCCCC1=O ZINC001437849532 1065619960 /nfs/dbraw/zinc/61/99/60/1065619960.db2.gz NAOBEWOLGNUHEK-MSOLQXFVSA-N 0 0 453.446 4.920 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001437853036 1065620047 /nfs/dbraw/zinc/62/00/47/1065620047.db2.gz RYNVXEYVVYLMQH-INIZCTEOSA-N 0 0 453.427 4.764 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)cc(OC)c1OC ZINC001437848761 1065620061 /nfs/dbraw/zinc/62/00/61/1065620061.db2.gz KRKNNKAZHPHBIS-HNNXBMFYSA-N 0 0 452.370 4.832 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(F)F)C2CCCCC2)cc1 ZINC001437853684 1065620669 /nfs/dbraw/zinc/62/06/69/1065620669.db2.gz QWAYYDGXQJASLR-OAQYLSRUSA-N 0 0 450.551 4.846 20 0 JJADRN O=C(OCc1cccc(F)c1OC(F)F)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001437860643 1065621741 /nfs/dbraw/zinc/62/17/41/1065621741.db2.gz WFEAEZAQODAVMC-HXUWFJFHSA-N 0 0 457.404 4.726 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)cc1)N1CCc2ccccc21 ZINC001360599994 1065622625 /nfs/dbraw/zinc/62/26/25/1065622625.db2.gz ADBQKQGJQYSXQC-UHFFFAOYSA-N 0 0 453.325 4.947 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC001437884560 1065625192 /nfs/dbraw/zinc/62/51/92/1065625192.db2.gz GXIIROKWORRCBH-HYFFOGBASA-N 0 0 458.505 4.894 20 0 JJADRN CC(=O)CCc1ccc(OCCC(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)cc1 ZINC001437891087 1065625888 /nfs/dbraw/zinc/62/58/88/1065625888.db2.gz DALMAYRBLNAHSP-LJQANCHMSA-N 0 0 457.954 4.879 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)cc1 ZINC001437893205 1065626034 /nfs/dbraw/zinc/62/60/34/1065626034.db2.gz IQRSQHFARZVLBO-LJQANCHMSA-N 0 0 456.970 4.816 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001437896396 1065626748 /nfs/dbraw/zinc/62/67/48/1065626748.db2.gz UZFZDEZSDRYRQU-GOSISDBHSA-N 0 0 457.811 4.545 20 0 JJADRN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001437895643 1065626752 /nfs/dbraw/zinc/62/67/52/1065626752.db2.gz MPHPMOBSUSETRS-ATIYNZHBSA-N 0 0 455.602 4.662 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001492597435 1065626834 /nfs/dbraw/zinc/62/68/34/1065626834.db2.gz YGVSFKQGZFDUKQ-FQEVSTJZSA-N 0 0 492.624 4.610 20 0 JJADRN COCc1c(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cnn1-c1ccccc1 ZINC001437898614 1065627629 /nfs/dbraw/zinc/62/76/29/1065627629.db2.gz XJGAALAZTFWNSY-OAQYLSRUSA-N 0 0 454.368 4.979 20 0 JJADRN CC(C)(C(=O)NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC001437902923 1065628387 /nfs/dbraw/zinc/62/83/87/1065628387.db2.gz CWLSLWGKJHXQDR-OAQYLSRUSA-N 0 0 451.485 4.875 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC001437900666 1065628510 /nfs/dbraw/zinc/62/85/10/1065628510.db2.gz JEHNZHJRDKQYCZ-VPWXQRGCSA-N 0 0 451.380 4.622 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCC[C@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC001437900649 1065628527 /nfs/dbraw/zinc/62/85/27/1065628527.db2.gz JEHNZHJRDKQYCZ-KNBMTAEXSA-N 0 0 451.380 4.622 20 0 JJADRN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001437906433 1065629329 /nfs/dbraw/zinc/62/93/29/1065629329.db2.gz HAQQBBODEWDSFB-RUZDIDTESA-N 0 0 450.579 4.831 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024031155 1065629804 /nfs/dbraw/zinc/62/98/04/1065629804.db2.gz DOYNITMRXCXQLS-UHFFFAOYSA-N 0 0 462.556 4.890 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001360605602 1065630762 /nfs/dbraw/zinc/63/07/62/1065630762.db2.gz BANKLNPAVDGWNA-BJKOFHAPSA-N 0 0 497.728 4.995 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 ZINC001360606309 1065631548 /nfs/dbraw/zinc/63/15/48/1065631548.db2.gz BQWDCDKLAUUTGN-OAHLLOKOSA-N 0 0 494.409 4.774 20 0 JJADRN Cc1c(Br)cnn1CC(=O)Nc1cc2ccc(Br)cc2nc1Cl ZINC001437929803 1065631975 /nfs/dbraw/zinc/63/19/75/1065631975.db2.gz RMFMFTHACVPRNQ-UHFFFAOYSA-N 0 0 458.541 4.557 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@@H](C)c1c(C)noc1C ZINC001545910959 1065632018 /nfs/dbraw/zinc/63/20/18/1065632018.db2.gz POZMILBBGIOFIZ-JLTOFOAXSA-N 0 0 485.658 4.711 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCOCC1 ZINC001360606780 1065632549 /nfs/dbraw/zinc/63/25/49/1065632549.db2.gz FNOWTBMRYNWARV-HNNXBMFYSA-N 0 0 484.428 4.639 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CCc1sc(C)nc1C ZINC001545910996 1065633466 /nfs/dbraw/zinc/63/34/66/1065633466.db2.gz QPAQCVZYGITBIX-LJQANCHMSA-N 0 0 487.699 4.619 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360607127 1065633606 /nfs/dbraw/zinc/63/36/06/1065633606.db2.gz IGFKNPBPFSJTLA-CEXWTWQISA-N 0 0 490.048 4.622 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)C(F)(F)F ZINC001545911876 1065634430 /nfs/dbraw/zinc/63/44/30/1065634430.db2.gz ULJBMEQECKVAPH-MBSDFSHPSA-N 0 0 456.512 4.656 20 0 JJADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC001437953598 1065635340 /nfs/dbraw/zinc/63/53/40/1065635340.db2.gz LBRDAJOVBOVQEO-SECBINFHSA-N 0 0 457.724 4.940 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001360608675 1065636181 /nfs/dbraw/zinc/63/61/81/1065636181.db2.gz RITKGWVVDONXEN-RLLQIKCJSA-N 0 0 490.048 4.622 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001360608596 1065636394 /nfs/dbraw/zinc/63/63/94/1065636394.db2.gz QVRHVZFKKJBIRO-FGTMMUONSA-N 0 0 493.649 4.660 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 ZINC001437961931 1065636441 /nfs/dbraw/zinc/63/64/41/1065636441.db2.gz KJTRAOFCVAFGMQ-FOIQADDNSA-N 0 0 450.398 4.756 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CCC1 ZINC001360608753 1065636900 /nfs/dbraw/zinc/63/69/00/1065636900.db2.gz SVQCAQHODBRBFT-GOSISDBHSA-N 0 0 464.614 4.890 20 0 JJADRN 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COc1cc(NC(=O)c2ccccc2[S@](=O)C(F)(F)F)c(Cl)cc1Br ZINC001437969759 1065639618 /nfs/dbraw/zinc/63/96/18/1065639618.db2.gz OPAIOMNYPQTHTO-VWLOTQADSA-N 0 0 456.667 4.991 20 0 JJADRN CC1(C)[C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1(F)F ZINC001437971009 1065640597 /nfs/dbraw/zinc/64/05/97/1065640597.db2.gz YQZTWBSXQUMBEV-MRXNPFEDSA-N 0 0 453.272 4.815 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001437970257 1065640649 /nfs/dbraw/zinc/64/06/49/1065640649.db2.gz HKBOLVFUXOLLBR-OAQYLSRUSA-N 0 0 451.361 4.941 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001437992371 1065642203 /nfs/dbraw/zinc/64/22/03/1065642203.db2.gz ZURJYPLUZCWCGN-FQEVSTJZSA-N 0 0 452.334 4.538 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)c(OC)c1 ZINC001437988293 1065642307 /nfs/dbraw/zinc/64/23/07/1065642307.db2.gz NXPCNSXHXUOCJY-XYASWCNUSA-N 0 0 452.334 4.787 20 0 JJADRN 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ZINC001438068168 1065664949 /nfs/dbraw/zinc/66/49/49/1065664949.db2.gz JAICIINRTNLBDG-HUUCEWRRSA-N 0 0 454.304 4.552 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 ZINC001360615963 1065665072 /nfs/dbraw/zinc/66/50/72/1065665072.db2.gz WPEARSNDKDKJQF-BHIYHBOVSA-N 0 0 499.647 4.839 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360616118 1065665945 /nfs/dbraw/zinc/66/59/45/1065665945.db2.gz ZCGBDOKQUXWGOR-SFTDATJTSA-N 0 0 493.618 4.937 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1 ZINC001360616169 1065666020 /nfs/dbraw/zinc/66/60/20/1065666020.db2.gz ZUNUUYMIJCNJRQ-NRFANRHFSA-N 0 0 483.657 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC001438078739 1065666447 /nfs/dbraw/zinc/66/64/47/1065666447.db2.gz PAWBVFQWEQRVCH-UHFFFAOYSA-N 0 0 457.415 4.932 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc(Br)cnc2Cl)c1 ZINC001360620575 1065667637 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RHHLDLKPTOXGKT-IBGZPJMESA-N 0 0 453.295 4.644 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC001438090271 1065668155 /nfs/dbraw/zinc/66/81/55/1065668155.db2.gz KECWGEUOMFMOHM-ZBLYBZFDSA-N 0 0 456.586 4.881 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc3c(Cl)c(C)cnc23)cc1S(=O)(=O)N1CCCCC1 ZINC001438090733 1065668182 /nfs/dbraw/zinc/66/81/82/1065668182.db2.gz GWMMQGLIZDGCBD-UHFFFAOYSA-N 0 0 457.983 4.932 20 0 JJADRN COc1cc(OC)cc([C@H](C)OC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c1 ZINC001438093562 1065669177 /nfs/dbraw/zinc/66/91/77/1065669177.db2.gz DKWYXVDFGLMPBT-INIZCTEOSA-N 0 0 450.528 4.624 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(OC)nc4ccccc43)cc2)c1 ZINC001438093985 1065669304 /nfs/dbraw/zinc/66/93/04/1065669304.db2.gz QUSYAMLOTSCQAD-UHFFFAOYSA-N 0 0 457.486 4.522 20 0 JJADRN O=C(NCc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360625736 1065669745 /nfs/dbraw/zinc/66/97/45/1065669745.db2.gz KITIKSLDLVIJOB-YADHBBJMSA-N 0 0 469.463 4.747 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001438097616 1065669955 /nfs/dbraw/zinc/66/99/55/1065669955.db2.gz CQNJEFBTQWFMFD-LEWJYISDSA-N 0 0 457.368 4.779 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001438097620 1065670054 /nfs/dbraw/zinc/67/00/54/1065670054.db2.gz CQNJEFBTQWFMFD-NHCUHLMSSA-N 0 0 457.368 4.779 20 0 JJADRN CC(F)(F)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001360626209 1065670411 /nfs/dbraw/zinc/67/04/11/1065670411.db2.gz DLCZSOWPSQLFAK-QGZVFWFLSA-N 0 0 456.484 4.845 20 0 JJADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(F)F)C1 ZINC001360626082 1065670471 /nfs/dbraw/zinc/67/04/71/1065670471.db2.gz BBZOPKHWGBPRFV-QGZVFWFLSA-N 0 0 498.416 4.884 20 0 JJADRN CC(C)(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(F)F)cc2)C1 ZINC001360626029 1065670512 /nfs/dbraw/zinc/67/05/12/1065670512.db2.gz ADEDYUBDMNAKRZ-IBGZPJMESA-N 0 0 468.552 4.958 20 0 JJADRN CC(=O)Nc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)cc(C(F)(F)F)c1 ZINC001438099018 1065670644 /nfs/dbraw/zinc/67/06/44/1065670644.db2.gz QBFFGZBVESINAS-UHFFFAOYSA-N 0 0 457.493 4.621 20 0 JJADRN CC(F)(F)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001360626713 1065672118 /nfs/dbraw/zinc/67/21/18/1065672118.db2.gz SBISFSFUQUFOCK-KRWDZBQOSA-N 0 0 487.929 4.778 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(C)(F)F)c2)CCO1 ZINC001360626778 1065672202 /nfs/dbraw/zinc/67/22/02/1065672202.db2.gz UTQQAHPFAKDBLO-NTKDMRAZSA-N 0 0 462.585 4.974 20 0 JJADRN CC(C)(C)[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(C)(F)F)c2)CCO1 ZINC001360626776 1065672272 /nfs/dbraw/zinc/67/22/72/1065672272.db2.gz UTQQAHPFAKDBLO-CYFREDJKSA-N 0 0 462.585 4.974 20 0 JJADRN O=C(CSc1ccccc1C(=O)NCC1([C@H]2CCCCO2)CCC1)NCC1CCCCC1 ZINC001438109673 1065672323 /nfs/dbraw/zinc/67/23/23/1065672323.db2.gz KYBMBJGBORLJER-HSZRJFAPSA-N 0 0 458.668 4.944 20 0 JJADRN 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DNUDPFLKGGNVCL-UHFFFAOYSA-N 0 0 455.594 4.940 20 0 JJADRN Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001360629892 1065677334 /nfs/dbraw/zinc/67/73/34/1065677334.db2.gz QIGRPZGBPKAISD-SNVBAGLBSA-N 0 0 458.301 4.890 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)CO2 ZINC001438139721 1065677778 /nfs/dbraw/zinc/67/77/78/1065677778.db2.gz HUDUTKRMLIUNOI-QGZVFWFLSA-N 0 0 458.436 4.769 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)CO2 ZINC001438139714 1065678013 /nfs/dbraw/zinc/67/80/13/1065678013.db2.gz HUDUTKRMLIUNOI-KRWDZBQOSA-N 0 0 458.436 4.769 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)N3C[C@]4(C)CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)cs2)cc1 ZINC001438145946 1065679629 /nfs/dbraw/zinc/67/96/29/1065679629.db2.gz CYPUDTQGGRRFLF-PLQXJYEYSA-N 0 0 455.624 4.761 20 0 JJADRN Cc1cccc(CC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1Br ZINC001360631279 1065680572 /nfs/dbraw/zinc/68/05/72/1065680572.db2.gz NDOXAQPAHQRGLZ-INIZCTEOSA-N 0 0 452.352 4.825 20 0 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C[C@@](O)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC001360728249 1065756068 /nfs/dbraw/zinc/75/60/68/1065756068.db2.gz JIYGXVIWVJSHOD-SPLOXXLWSA-N 0 0 486.510 4.895 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001438829976 1065756499 /nfs/dbraw/zinc/75/64/99/1065756499.db2.gz OATTVGURTKGYSB-YVEFUNNKSA-N 0 0 457.702 4.578 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001438829974 1065756631 /nfs/dbraw/zinc/75/66/31/1065756631.db2.gz OATTVGURTKGYSB-SJKOYZFVSA-N 0 0 457.702 4.578 20 0 JJADRN C[C@@](O)(Cn1c(Cc2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001360728705 1065756496 /nfs/dbraw/zinc/75/64/96/1065756496.db2.gz PXCCOSTXCJXWQS-HSZRJFAPSA-N 0 0 493.961 4.994 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001438844645 1065757199 /nfs/dbraw/zinc/75/71/99/1065757199.db2.gz FGYMNESTBGFXTD-DOTOQJQBSA-N 0 0 457.811 4.757 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)OCc2ccc(Br)cc2Cl)CC1=O ZINC001360729271 1065757129 /nfs/dbraw/zinc/75/71/29/1065757129.db2.gz FXIFYKGHDDJJIJ-CQSZACIVSA-N 0 0 452.732 4.598 20 0 JJADRN O=C(Cc1ccccc1C(F)(F)F)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730263 1065757627 /nfs/dbraw/zinc/75/76/27/1065757627.db2.gz ALTFCQDQFKRJMN-UHFFFAOYSA-N 0 0 457.168 4.985 20 0 JJADRN Cc1cc(Br)oc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730341 1065757643 /nfs/dbraw/zinc/75/76/43/1065757643.db2.gz DVZKWVXTNLQYKS-UHFFFAOYSA-N 0 0 458.028 4.701 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N2CCCCc3ccc(Br)cc32)cc1 ZINC001438851344 1065757721 /nfs/dbraw/zinc/75/77/21/1065757721.db2.gz FMZJVSMACIWDMC-UHFFFAOYSA-N 0 0 450.398 4.545 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)O[C@H](c3ccc(Cl)cc3)C(F)(F)F)CC2=O)c1 ZINC001438851199 1065757730 /nfs/dbraw/zinc/75/77/30/1065757730.db2.gz VGMRTYDLEUHBAL-BFUOFWGJSA-N 0 0 457.832 4.557 20 0 JJADRN O=C(NCc1ccc(N2CCNC2=O)cc1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001438850699 1065757835 /nfs/dbraw/zinc/75/78/35/1065757835.db2.gz ODNZVXAMGUEMLH-UHFFFAOYSA-N 0 0 457.427 4.971 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1OC(C)C ZINC001360730645 1065758109 /nfs/dbraw/zinc/75/81/09/1065758109.db2.gz QMBRFDSOQORCID-UHFFFAOYSA-N 0 0 450.988 4.863 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccncc2)nnc1N1CCC(CC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001360731012 1065758309 /nfs/dbraw/zinc/75/83/09/1065758309.db2.gz CESDAKZNIWIQPO-HSZRJFAPSA-N 0 0 493.961 4.994 20 0 JJADRN COc1cc(C(=O)N(C)Cc2ccns2)ccc1OCc1ccc(Br)s1 ZINC001438856274 1065759035 /nfs/dbraw/zinc/75/90/35/1065759035.db2.gz LHMSGVQZXYFNMX-UHFFFAOYSA-N 0 0 453.383 4.827 20 0 JJADRN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC001438856602 1065759065 /nfs/dbraw/zinc/75/90/65/1065759065.db2.gz FWNVVMIQWNPYRP-UHFFFAOYSA-N 0 0 456.652 4.982 20 0 JJADRN C[C@@](O)(Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1Cl ZINC001360731441 1065759313 /nfs/dbraw/zinc/75/93/13/1065759313.db2.gz ILCFRRQEZKDJKL-HSZRJFAPSA-N 0 0 498.977 4.920 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001360731596 1065759533 /nfs/dbraw/zinc/75/95/33/1065759533.db2.gz FNCZJTGJLPZLEG-LPHOPBHVSA-N 0 0 454.537 4.516 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CCCCO2)cc1 ZINC001360732126 1065759861 /nfs/dbraw/zinc/75/98/61/1065759861.db2.gz JAHJXBHGTBAWJD-QAPCUYQASA-N 0 0 491.455 4.876 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865123 1065760239 /nfs/dbraw/zinc/76/02/39/1065760239.db2.gz SOCUCSRIHZQFGE-AOMKIAJQSA-N 0 0 452.904 4.864 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865127 1065760397 /nfs/dbraw/zinc/76/03/97/1065760397.db2.gz SOCUCSRIHZQFGE-KSFYIVLOSA-N 0 0 452.904 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001438866123 1065760530 /nfs/dbraw/zinc/76/05/30/1065760530.db2.gz JLNRSOFNSDBYER-VLIAUNLRSA-N 0 0 457.796 4.551 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCN(C(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)C1 ZINC001438866078 1065760599 /nfs/dbraw/zinc/76/05/99/1065760599.db2.gz IXSBHCVVWWKLOL-SFHVURJKSA-N 0 0 450.288 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCc2cc(Cl)cc(Br)c2)CCCCC1 ZINC001438870559 1065760941 /nfs/dbraw/zinc/76/09/41/1065760941.db2.gz WQOFJTFEPOLMMK-UHFFFAOYSA-N 0 0 459.812 4.989 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)s2)cc1 ZINC001360732944 1065761437 /nfs/dbraw/zinc/76/14/37/1065761437.db2.gz PVZKNFSTLVBOKQ-HNNXBMFYSA-N 0 0 484.423 4.902 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)cc1 ZINC001438881829 1065761440 /nfs/dbraw/zinc/76/14/40/1065761440.db2.gz ALMZSJHTPQAIFE-UHFFFAOYSA-N 0 0 455.318 4.988 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)cc1 ZINC001360733327 1065761489 /nfs/dbraw/zinc/76/14/89/1065761489.db2.gz TZHHFDMZGSLCFP-MRXNPFEDSA-N 0 0 453.999 4.717 20 0 JJADRN C[C@](O)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1)c1cccs1 ZINC001360733003 1065761613 /nfs/dbraw/zinc/76/16/13/1065761613.db2.gz XINJAVKJBYMPHW-NYHFZMIOSA-N 0 0 482.984 4.961 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)CCCC2 ZINC001438885494 1065761992 /nfs/dbraw/zinc/76/19/92/1065761992.db2.gz AEQNXNHUGJUFFB-QGZVFWFLSA-N 0 0 454.311 4.871 20 0 JJADRN CN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360734237 1065762248 /nfs/dbraw/zinc/76/22/48/1065762248.db2.gz PANIMSBOHDRTTG-HSZRJFAPSA-N 0 0 452.913 4.936 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)CCc3ncc(-c4ccc(C)cc4)o3)C2)nc1C ZINC001438885773 1065762688 /nfs/dbraw/zinc/76/26/88/1065762688.db2.gz SRKZZPJYNIOIPX-GOSISDBHSA-N 0 0 453.564 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2ccc(F)cc2C1)c1ccc(C(F)(F)F)cc1 ZINC001545918842 1065762777 /nfs/dbraw/zinc/76/27/77/1065762777.db2.gz FRUDXRUBIWETHX-LJQANCHMSA-N 0 0 452.448 4.995 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc(CNC(=O)C3CCCC3)cc1)CCCC2 ZINC001438887998 1065763353 /nfs/dbraw/zinc/76/33/53/1065763353.db2.gz INNORXVUCBOYJB-QHCPKHFHSA-N 0 0 450.579 4.708 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccnc(OC3CCCCC3)c2)c2ccccc2O1 ZINC001360735254 1065763483 /nfs/dbraw/zinc/76/34/83/1065763483.db2.gz DPCVFJHELSMAHV-HSZRJFAPSA-N 0 0 451.567 4.506 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCC[C@@]3(C)Cc3cc(F)c(F)c(F)c3)c2)o1 ZINC001438903476 1065763993 /nfs/dbraw/zinc/76/39/93/1065763993.db2.gz BMJWFWLMMNGEJQ-DEOSSOPVSA-N 0 0 459.468 4.580 20 0 JJADRN COc1ccc(C(=O)N2CCCSC[C@H]2c2ccccc2)c(I)c1 ZINC001438905767 1065764369 /nfs/dbraw/zinc/76/43/69/1065764369.db2.gz AZFQEZBOVZBDNR-SFHVURJKSA-N 0 0 453.345 4.620 20 0 JJADRN CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC001360736053 1065764696 /nfs/dbraw/zinc/76/46/96/1065764696.db2.gz QXZMYFKSRIXGKE-CGTJXYLNSA-N 0 0 453.149 4.895 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001438909112 1065764924 /nfs/dbraw/zinc/76/49/24/1065764924.db2.gz PIPGTTLALGEQIQ-HSZRJFAPSA-N 0 0 451.510 4.525 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)C1CCC(NC(=O)CC3CCCC3)CC1)CC2 ZINC001438908448 1065764935 /nfs/dbraw/zinc/76/49/35/1065764935.db2.gz HRHSSRQZGBMTKX-UHFFFAOYSA-N 0 0 456.627 4.579 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c(Cl)n1 ZINC001438914671 1065765647 /nfs/dbraw/zinc/76/56/47/1065765647.db2.gz DXKUWLHREDHSSF-UHFFFAOYSA-N 0 0 456.770 4.856 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001360736618 1065765750 /nfs/dbraw/zinc/76/57/50/1065765750.db2.gz DRCXVBZNRRRIJF-CZUORRHYSA-N 0 0 481.391 4.655 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3cc(Cl)nc(C(C)(C)C)c3)CC2)n1 ZINC001438915335 1065766239 /nfs/dbraw/zinc/76/62/39/1065766239.db2.gz AUERMPPSEIXSBG-UHFFFAOYSA-N 0 0 450.004 4.761 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H]1CCCCO1 ZINC001360736817 1065766177 /nfs/dbraw/zinc/76/61/77/1065766177.db2.gz IAZTVSPVESGRGP-IERDGZPVSA-N 0 0 459.953 4.811 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1CCCNC(=O)OC(C)(C)C ZINC001360736888 1065766347 /nfs/dbraw/zinc/76/63/47/1065766347.db2.gz ACPCCAHDIBAOPV-INIZCTEOSA-N 0 0 497.562 4.954 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC001438917588 1065766824 /nfs/dbraw/zinc/76/68/24/1065766824.db2.gz RJMAPCAVJKSETG-ISKFKSNPSA-N 0 0 450.579 4.621 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3cnc4c(F)ccc(F)c4c3)CC2)nc1C ZINC001438918194 1065766843 /nfs/dbraw/zinc/76/68/43/1065766843.db2.gz IMQIDWAUTYPGRD-UHFFFAOYSA-N 0 0 459.518 4.550 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCCCC2)n1CCC(=O)NC(C)(C)C ZINC001360736913 1065766899 /nfs/dbraw/zinc/76/68/99/1065766899.db2.gz AQHCUYJOURMHEM-SFHVURJKSA-N 0 0 459.610 4.879 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)C2)n1C[C@](C)(O)c1cccs1 ZINC001360737428 1065767239 /nfs/dbraw/zinc/76/72/39/1065767239.db2.gz FLEOCUOJKXIMHT-KXJUXOIGSA-N 0 0 462.566 4.711 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001360737658 1065767375 /nfs/dbraw/zinc/76/73/75/1065767375.db2.gz MNDDINSHWUYYDI-GDBMZVCRSA-N 0 0 450.967 4.740 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)c1cccs1 ZINC001360738372 1065768047 /nfs/dbraw/zinc/76/80/47/1065768047.db2.gz POLRZVNGUMTGSC-QGZVFWFLSA-N 0 0 487.645 4.947 20 0 JJADRN COc1cc(COCC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)ccn1 ZINC001438938310 1065769688 /nfs/dbraw/zinc/76/96/88/1065769688.db2.gz WQHMEXIJSHDXIG-UHFFFAOYSA-N 0 0 456.539 4.919 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CCN1CCc2sccc2C1 ZINC001360738743 1065769776 /nfs/dbraw/zinc/76/97/76/1065769776.db2.gz SIUUIFGVEDTCQQ-HNNXBMFYSA-N 0 0 483.535 4.676 20 0 JJADRN COc1cccc(COC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)c1OC(F)F ZINC001360738768 1065769920 /nfs/dbraw/zinc/76/99/20/1065769920.db2.gz WUTRCUNUAKXXEF-UHFFFAOYSA-N 0 0 450.388 4.606 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC001438938271 1065769796 /nfs/dbraw/zinc/76/97/96/1065769796.db2.gz PDVWZCBECMZOQZ-QFIPXVFZSA-N 0 0 454.567 4.755 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC001438940263 1065770368 /nfs/dbraw/zinc/77/03/68/1065770368.db2.gz UZTZFTPQBCFNGG-DSITVLBTSA-N 0 0 480.605 4.606 20 0 JJADRN CC(=O)c1c(C)cc(OC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1C ZINC001438943897 1065770397 /nfs/dbraw/zinc/77/03/97/1065770397.db2.gz JTBUYLHIZKYFBK-UHFFFAOYSA-N 0 0 457.592 4.763 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCC1)N1CCOCC1 ZINC001360739113 1065770524 /nfs/dbraw/zinc/77/05/24/1065770524.db2.gz QKKLMSXEIGQRIJ-GBXCKJPGSA-N 0 0 473.637 4.540 20 0 JJADRN CN(Cc1cscc1Br)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001438946241 1065770745 /nfs/dbraw/zinc/77/07/45/1065770745.db2.gz GRVPJCNQJLPHAV-UHFFFAOYSA-N 0 0 457.143 4.652 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CCCC1(C)C ZINC001360739525 1065770779 /nfs/dbraw/zinc/77/07/79/1065770779.db2.gz UCZCYFMCQOIFEZ-OALUTQOASA-N 0 0 452.578 4.852 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cnccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360739325 1065771003 /nfs/dbraw/zinc/77/10/03/1065771003.db2.gz SFDNYKQCFAYZNN-KRWDZBQOSA-N 0 0 495.628 4.828 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001438961859 1065771427 /nfs/dbraw/zinc/77/14/27/1065771427.db2.gz ABHVMFOCPROAAM-MRXNPFEDSA-N 0 0 451.388 4.976 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360739711 1065771460 /nfs/dbraw/zinc/77/14/60/1065771460.db2.gz VPCGAYKMUDUDEA-LEWJYISDSA-N 0 0 483.632 4.998 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NCc3cc4cc(Br)ccc4o3)CC2=O)cc1 ZINC001438966381 1065772170 /nfs/dbraw/zinc/77/21/70/1065772170.db2.gz MZRWOGUTWISRKD-QGZVFWFLSA-N 0 0 455.352 4.817 20 0 JJADRN C=C/C=C\CCNC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001438970890 1065772620 /nfs/dbraw/zinc/77/26/20/1065772620.db2.gz DZCULZJEMDMMQJ-RXNFCKPNSA-N 0 0 456.711 4.509 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1C[C@H]1C ZINC001360739996 1065772612 /nfs/dbraw/zinc/77/26/12/1065772612.db2.gz ADVWXIXWLDYJOW-IJEWVQPXSA-N 0 0 454.468 4.561 20 0 JJADRN C=C/C=C/CCNC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001438970894 1065773019 /nfs/dbraw/zinc/77/30/19/1065773019.db2.gz DZCULZJEMDMMQJ-ZYOFXKKJSA-N 0 0 456.711 4.509 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)c1 ZINC001438973998 1065773123 /nfs/dbraw/zinc/77/31/23/1065773123.db2.gz VUEQJGOTTURZNA-INIZCTEOSA-N 0 0 452.295 4.922 20 0 JJADRN COc1cccc2c1OCCC[C@H]2NC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1SC ZINC001438974355 1065773203 /nfs/dbraw/zinc/77/32/03/1065773203.db2.gz OZMOUIZVMPPLQV-GOSISDBHSA-N 0 0 453.539 4.965 20 0 JJADRN COc1cccc2[nH]c(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)nc21 ZINC001438978456 1065773591 /nfs/dbraw/zinc/77/35/91/1065773591.db2.gz BQPHWQFWKVIQFK-UHFFFAOYSA-N 0 0 450.495 4.694 20 0 JJADRN CC(C)CS(=O)(=O)CCC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001438975112 1065773701 /nfs/dbraw/zinc/77/37/01/1065773701.db2.gz PYOMQJICXRXGPD-UHFFFAOYSA-N 0 0 459.942 4.830 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCOCC(F)(F)C(F)F ZINC001360740544 1065774067 /nfs/dbraw/zinc/77/40/67/1065774067.db2.gz IEGAXOXSQBKBGT-XYPHTWIQSA-N 0 0 474.474 4.566 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C3CCC2(C)CC3)n1CCCN(C)CC(F)(F)F ZINC001360740505 1065774250 /nfs/dbraw/zinc/77/42/50/1065774250.db2.gz HPCWQVBBJLTLOX-FVYSKSNYSA-N 0 0 469.527 4.963 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc4ccc(Br)cc4c3)CC2=O)cc1F ZINC001438985609 1065774195 /nfs/dbraw/zinc/77/41/95/1065774195.db2.gz GOUZQWFTDGMAOS-SFHVURJKSA-N 0 0 455.327 4.719 20 0 JJADRN C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)NC(=O)OC(C)(C)C ZINC001360740749 1065774502 /nfs/dbraw/zinc/77/45/02/1065774502.db2.gz KFTAWHGIMQBUHA-SMOSDQRPSA-N 0 0 473.593 4.563 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C ZINC001438993396 1065775015 /nfs/dbraw/zinc/77/50/15/1065775015.db2.gz KFHBAGDNJZXOKB-MISYRCLQSA-N 0 0 456.608 4.991 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC(C)(C)O ZINC001360740972 1065774979 /nfs/dbraw/zinc/77/49/79/1065774979.db2.gz LVKUADWTHNJHAX-YLJYHZDGSA-N 0 0 474.602 4.575 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1cccc(Br)n1 ZINC001360741111 1065775016 /nfs/dbraw/zinc/77/50/16/1065775016.db2.gz MLNAVIJKBIIAKE-OWCLPIDISA-N 0 0 474.378 4.855 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001360740943 1065775026 /nfs/dbraw/zinc/77/50/26/1065775026.db2.gz LLDUMKWQMBFKTE-RQOHWKINSA-N 0 0 488.551 4.637 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[C@H]1C ZINC001545919615 1065775328 /nfs/dbraw/zinc/77/53/28/1065775328.db2.gz CFYNEOZWHKAIBX-MOPGFXCFSA-N 0 0 473.065 4.613 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001438996802 1065775843 /nfs/dbraw/zinc/77/58/43/1065775843.db2.gz HAVNSWJXBYFQLI-JOCHJYFZSA-N 0 0 452.002 4.887 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439002152 1065776485 /nfs/dbraw/zinc/77/64/85/1065776485.db2.gz UQFXQXOWPKUJEE-HSZRJFAPSA-N 0 0 451.514 4.813 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC001439003435 1065776554 /nfs/dbraw/zinc/77/65/54/1065776554.db2.gz OAXKBXYQKXGQPB-IBGZPJMESA-N 0 0 452.498 4.519 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360741958 1065776670 /nfs/dbraw/zinc/77/66/70/1065776670.db2.gz UBEXFDGGJMWHMY-SFHVURJKSA-N 0 0 475.609 4.954 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C)CC2)n1C[C@@H]1CCC[C@@H]1CC ZINC001545919693 1065776996 /nfs/dbraw/zinc/77/69/96/1065776996.db2.gz FDGFEDSSMCHERK-VXKWHMMOSA-N 0 0 466.674 4.658 20 0 JJADRN COc1cc(NC(=O)c2cc(Cl)c(Br)cc2OC)c2nccc(OC)c2c1 ZINC001439022061 1065778148 /nfs/dbraw/zinc/77/81/48/1065778148.db2.gz DERJEGGNMFKMLF-UHFFFAOYSA-N 0 0 451.704 4.929 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@](C)(O)c1ccco1 ZINC001360742846 1065778222 /nfs/dbraw/zinc/77/82/22/1065778222.db2.gz AIHPDKSGJQTWJZ-PEBXRYMYSA-N 0 0 481.355 4.957 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC001360743040 1065778283 /nfs/dbraw/zinc/77/82/83/1065778283.db2.gz MSXRHQYXLOIGEZ-NRFANRHFSA-N 0 0 452.551 4.555 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@](C)(O)c1ccco1 ZINC001360742847 1065778309 /nfs/dbraw/zinc/77/83/09/1065778309.db2.gz AIHPDKSGJQTWJZ-RCDICMHDSA-N 0 0 481.355 4.957 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001439021712 1065778271 /nfs/dbraw/zinc/77/82/71/1065778271.db2.gz XUBHXLJNQFLUMQ-MRXNPFEDSA-N 0 0 457.958 4.957 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCNC(=O)C(C)(C)C ZINC001360743233 1065778794 /nfs/dbraw/zinc/77/87/94/1065778794.db2.gz DAHASCCMMXVQBW-ZWKOTPCHSA-N 0 0 459.610 4.592 20 0 JJADRN C[C@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC001439036468 1065779351 /nfs/dbraw/zinc/77/93/51/1065779351.db2.gz COQSJOOUMXSPGI-UGSOOPFHSA-N 0 0 456.306 4.877 20 0 JJADRN COc1cc(C(=O)NCCC[C@@H]2CCOC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001439043839 1065779769 /nfs/dbraw/zinc/77/97/69/1065779769.db2.gz ZWPRVWUKIPKBBT-CQSZACIVSA-N 0 0 452.334 4.654 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1cccc(C(F)(F)F)c1 ZINC001439044505 1065779954 /nfs/dbraw/zinc/77/99/54/1065779954.db2.gz KEAAJKBPNFEXAA-GOSISDBHSA-N 0 0 452.429 4.536 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)N2c3ccc(Br)cc3CCC2(C)C)CC1=O ZINC001439045443 1065780296 /nfs/dbraw/zinc/78/02/96/1065780296.db2.gz DXMBXJYSXSSIJK-INIZCTEOSA-N 0 0 457.368 4.569 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC001439045348 1065780308 /nfs/dbraw/zinc/78/03/08/1065780308.db2.gz UODCSRFPVLUFMA-KUHUBIRLSA-N 0 0 457.876 4.708 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC(F)(F)F ZINC001360743884 1065780521 /nfs/dbraw/zinc/78/05/21/1065780521.db2.gz LBAUGCSYJAWPNK-CQSZACIVSA-N 0 0 483.441 4.701 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC001439046580 1065780428 /nfs/dbraw/zinc/78/04/28/1065780428.db2.gz QDOBTEHKMIAPLT-FQEVSTJZSA-N 0 0 451.441 4.680 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCC(=O)NC1CC1 ZINC001360743808 1065780602 /nfs/dbraw/zinc/78/06/02/1065780602.db2.gz JUPCDCLAPDROBU-CQSZACIVSA-N 0 0 482.387 4.515 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001439048374 1065780994 /nfs/dbraw/zinc/78/09/94/1065780994.db2.gz YWLLUBBGRQHQAB-QFYYESIMSA-N 0 0 450.240 4.810 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(C)CC1 ZINC001360744088 1065781120 /nfs/dbraw/zinc/78/11/20/1065781120.db2.gz NVJJASJXQSCRNV-IEBWSBKVSA-N 0 0 473.593 4.803 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Br)cc(I)c2)Cc2ccccc21 ZINC001439059556 1065781497 /nfs/dbraw/zinc/78/14/97/1065781497.db2.gz BXTRYEYTBDPLCH-LLVKDONJSA-N 0 0 456.121 4.813 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001439054804 1065781677 /nfs/dbraw/zinc/78/16/77/1065781677.db2.gz JZICTRXBVBUSHT-OFNKIYASSA-N 0 0 451.485 4.691 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C)CC2)n1CCCOC1CCOCC1 ZINC001360744287 1065781690 /nfs/dbraw/zinc/78/16/90/1065781690.db2.gz QSKRAMHCKRMPJE-IBGZPJMESA-N 0 0 460.594 4.769 20 0 JJADRN CC(C)OC1(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CCC1 ZINC001439070597 1065782072 /nfs/dbraw/zinc/78/20/72/1065782072.db2.gz ZWNNCOFHTHIYCP-UHFFFAOYSA-N 0 0 451.276 4.670 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC1(C)CCCC1 ZINC001360744581 1065782275 /nfs/dbraw/zinc/78/22/75/1065782275.db2.gz WUZXFCYDSMXUSR-IBGZPJMESA-N 0 0 471.621 4.832 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cnc4ccccc4c3Br)CCC2=O)cc1C ZINC001439072488 1065782477 /nfs/dbraw/zinc/78/24/77/1065782477.db2.gz GYGNEPQFWRSTCO-INIZCTEOSA-N 0 0 452.352 4.996 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CC[C@](C)(C(F)(F)F)C3)ccc21 ZINC001439071398 1065782543 /nfs/dbraw/zinc/78/25/43/1065782543.db2.gz UITJXSHQTJHYID-QFIPXVFZSA-N 0 0 453.505 4.971 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCNC(=O)c1cccs1 ZINC001360744754 1065782653 /nfs/dbraw/zinc/78/26/53/1065782653.db2.gz AHZACWNMYPZCDS-JKSUJKDBSA-N 0 0 493.555 4.530 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCNC(=O)c1cccs1 ZINC001360744751 1065782803 /nfs/dbraw/zinc/78/28/03/1065782803.db2.gz AHZACWNMYPZCDS-CVEARBPZSA-N 0 0 493.555 4.530 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(ccc(F)c3F)c2)[C@H]1c1ccc(OC)cc1 ZINC001439083930 1065783092 /nfs/dbraw/zinc/78/30/92/1065783092.db2.gz NJDURVIZACQLGN-NTKDMRAZSA-N 0 0 453.489 4.850 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)c1cccc(OC(F)(F)F)c1 ZINC001439085273 1065783106 /nfs/dbraw/zinc/78/31/06/1065783106.db2.gz XEPBUJULSWLUQV-UKRRQHHQSA-N 0 0 450.486 4.684 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(ccc(F)c3F)c2)[C@H]1c1ccc(OC)cc1 ZINC001439083936 1065783135 /nfs/dbraw/zinc/78/31/35/1065783135.db2.gz NJDURVIZACQLGN-YADARESESA-N 0 0 453.489 4.850 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001360744952 1065783793 /nfs/dbraw/zinc/78/37/93/1065783793.db2.gz DNWKXSNCCXTMAI-OALUTQOASA-N 0 0 459.610 4.592 20 0 JJADRN O=C(NCC(F)(F)c1ccc(F)cc1F)c1cc(Cl)ccc1I ZINC001439092541 1065784144 /nfs/dbraw/zinc/78/41/44/1065784144.db2.gz DBOSRBLOSOFRKJ-UHFFFAOYSA-N 0 0 457.592 4.745 20 0 JJADRN CN(C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C1(Cc2ccccc2)CCCC1 ZINC001439092779 1065784179 /nfs/dbraw/zinc/78/41/79/1065784179.db2.gz GYCHEMNPADWCEI-NRFANRHFSA-N 0 0 454.998 4.581 20 0 JJADRN CCc1c(C(=O)N2CCCSC[C@H]2c2ccccc2OC)nnn1-c1cccc(Cl)c1 ZINC001439094169 1065784206 /nfs/dbraw/zinc/78/42/06/1065784206.db2.gz MSRDBBLMESOUCN-FQEVSTJZSA-N 0 0 456.999 4.812 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1ccccc1Cl ZINC001439096642 1065784633 /nfs/dbraw/zinc/78/46/33/1065784633.db2.gz YILZJJQVGVRGIU-GOSISDBHSA-N 0 0 452.338 4.511 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)COc1ccc(F)cc1Br ZINC001439097132 1065784717 /nfs/dbraw/zinc/78/47/17/1065784717.db2.gz HLPREZHSYXYNPW-QGZVFWFLSA-N 0 0 454.361 4.682 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCOCC(F)F ZINC001360745531 1065784773 /nfs/dbraw/zinc/78/47/73/1065784773.db2.gz MGHAGDSDBMLYSC-OKZBNKHCSA-N 0 0 452.521 4.855 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC(F)(F)Br ZINC001360745593 1065785213 /nfs/dbraw/zinc/78/52/13/1065785213.db2.gz NAHLHRJNZBHNSQ-VBQJREDUSA-N 0 0 489.336 4.550 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCOCC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360745620 1065785334 /nfs/dbraw/zinc/78/53/34/1065785334.db2.gz NNLJNSNKYCCTGL-ZWKOTPCHSA-N 0 0 452.521 5.000 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cc(Cl)cn2)C1 ZINC001360745904 1065786338 /nfs/dbraw/zinc/78/63/38/1065786338.db2.gz QFJXISKYWFEFHF-QZTJIDSGSA-N 0 0 460.985 4.980 20 0 JJADRN CCc1ccc(Br)c(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)c1 ZINC001439101388 1065786476 /nfs/dbraw/zinc/78/64/76/1065786476.db2.gz RGSUTKNXWDZRAE-OPAMFIHVSA-N 0 0 470.367 4.922 20 0 JJADRN C[C@H]1CCN(c2cc(C(=O)N[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001439104611 1065786857 /nfs/dbraw/zinc/78/68/57/1065786857.db2.gz OFJSACBBVPXITG-FPOVZHCZSA-N 0 0 456.631 4.618 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001439106141 1065786936 /nfs/dbraw/zinc/78/69/36/1065786936.db2.gz SPINUDAERBFTQL-OAQYLSRUSA-N 0 0 457.615 4.515 20 0 JJADRN C[C@H]1CCN(c2cc(C(=O)N[C@@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001439104613 1065786995 /nfs/dbraw/zinc/78/69/95/1065786995.db2.gz OFJSACBBVPXITG-PZJWPPBQSA-N 0 0 456.631 4.618 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CCNC(=O)C(C)(C)C ZINC001360745937 1065787110 /nfs/dbraw/zinc/78/71/10/1065787110.db2.gz QQRFSNPVCFYOHL-AZUAARDMSA-N 0 0 499.656 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC001439107952 1065787395 /nfs/dbraw/zinc/78/73/95/1065787395.db2.gz ZHVXKMAELBDFCL-HXUWFJFHSA-N 0 0 457.546 4.769 20 0 JJADRN Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2ccccn2)cc1NC(=O)c1ccco1 ZINC001439110322 1065787491 /nfs/dbraw/zinc/78/74/91/1065787491.db2.gz NTUGINRAOVUIJT-UHFFFAOYSA-N 0 0 454.530 4.672 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1)C1CCCC1 ZINC001439111618 1065788107 /nfs/dbraw/zinc/78/81/07/1065788107.db2.gz JFNMVDVFQPRGIX-NZQKXSOJSA-N 0 0 456.627 4.876 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)Cc2c[nH]c3cnccc23)C1)C1CCCC1 ZINC001439112389 1065788573 /nfs/dbraw/zinc/78/85/73/1065788573.db2.gz PXVKIAVMANOMPG-XMSQKQJNSA-N 0 0 454.615 4.818 20 0 JJADRN C[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC001439112138 1065788600 /nfs/dbraw/zinc/78/86/00/1065788600.db2.gz OFEXZBOHUUUOOF-HSZRJFAPSA-N 0 0 455.396 4.539 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCc3sccc3C2)n1CC[S@@](=O)C(C)(C)C ZINC001360746694 1065788643 /nfs/dbraw/zinc/78/86/43/1065788643.db2.gz XYZIYHCOECSTHJ-MWOWJKGTSA-N 0 0 476.643 4.729 20 0 JJADRN Cn1cnc2cccc(C(=O)N3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c21 ZINC001439112520 1065789220 /nfs/dbraw/zinc/78/92/20/1065789220.db2.gz UKVHAMRCFVNPHA-AVRDEDQJSA-N 0 0 454.615 4.899 20 0 JJADRN Cc1ccc(N(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439116815 1065789507 /nfs/dbraw/zinc/78/95/07/1065789507.db2.gz MKJRWUOTNSDHCF-SBUREZEXSA-N 0 0 477.026 4.694 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1CC=CCC1 ZINC001360748690 1065790381 /nfs/dbraw/zinc/79/03/81/1065790381.db2.gz DQOWTWXSWSIPQE-WOJBJXKFSA-N 0 0 484.620 4.544 20 0 JJADRN CC[C@@H](C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C(F)(F)F)c1 ZINC001439131846 1065791245 /nfs/dbraw/zinc/79/12/45/1065791245.db2.gz DZRJXMCXZZXROQ-VROYJQPTSA-N 0 0 455.517 4.985 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360749038 1065791364 /nfs/dbraw/zinc/79/13/64/1065791364.db2.gz KOVVGYQRLMEVNR-CPLUKWAASA-N 0 0 469.527 4.847 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360749040 1065791561 /nfs/dbraw/zinc/79/15/61/1065791561.db2.gz KOVVGYQRLMEVNR-YAJHFMINSA-N 0 0 469.527 4.847 20 0 JJADRN Cc1cscc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001545920550 1065791534 /nfs/dbraw/zinc/79/15/34/1065791534.db2.gz NNSCPENDFUHBPD-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439133823 1065791638 /nfs/dbraw/zinc/79/16/38/1065791638.db2.gz KXCKRRLZZUVNFV-CSKUQDPHSA-N 0 0 456.608 4.826 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360749184 1065791700 /nfs/dbraw/zinc/79/17/00/1065791700.db2.gz BFCKEGGCFPXYJT-LZJOCLMNSA-N 0 0 491.583 4.751 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001439140885 1065792471 /nfs/dbraw/zinc/79/24/71/1065792471.db2.gz MEOQAWOOBOFKOK-CQSZACIVSA-N 0 0 454.368 4.564 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1CCCS1 ZINC001360749602 1065792665 /nfs/dbraw/zinc/79/26/65/1065792665.db2.gz OTOYCENHZRAGDP-BXWFABGCSA-N 0 0 487.567 4.526 20 0 JJADRN O=C(NCc1c(F)cc(F)cc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001439151840 1065792949 /nfs/dbraw/zinc/79/29/49/1065792949.db2.gz RMXFGZMEKMBTKW-UHFFFAOYSA-N 0 0 451.182 4.556 20 0 JJADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC12CCC(CC1)C2 ZINC001360749771 1065793217 /nfs/dbraw/zinc/79/32/17/1065793217.db2.gz IIBIIUSGKHEFRO-PVHMTZQWSA-N 0 0 495.089 4.910 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360749797 1065793234 /nfs/dbraw/zinc/79/32/34/1065793234.db2.gz QILIYADZKPJAEB-BYXPDZEBSA-N 0 0 474.621 4.750 20 0 JJADRN CN(C)[C@@H](CCNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(F)(F)F ZINC001439159959 1065793326 /nfs/dbraw/zinc/79/33/26/1065793326.db2.gz LPQPJMWAIAIIJH-ROUUACIJSA-N 0 0 459.306 4.568 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC(=O)NC(C)(C)C ZINC001360750033 1065793489 /nfs/dbraw/zinc/79/34/89/1065793489.db2.gz STHONHMAMKBSKS-DWXRJYCRSA-N 0 0 489.636 4.503 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2c(C)cnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001439157474 1065793504 /nfs/dbraw/zinc/79/35/04/1065793504.db2.gz RICSWZGOKOXMBN-AZUAARDMSA-N 0 0 456.587 4.572 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC(=O)NC(C)(C)C ZINC001360750036 1065794177 /nfs/dbraw/zinc/79/41/77/1065794177.db2.gz STHONHMAMKBSKS-WXTAPIANSA-N 0 0 489.636 4.503 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001360750104 1065794254 /nfs/dbraw/zinc/79/42/54/1065794254.db2.gz UHPMXKZQYWLRJQ-MAUKXSAKSA-N 0 0 476.540 4.714 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)co2)cc1 ZINC001439172630 1065794519 /nfs/dbraw/zinc/79/45/19/1065794519.db2.gz VGQNJKVLPDOURF-FQEVSTJZSA-N 0 0 458.345 4.878 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCOCC(F)(F)C(F)F ZINC001360750366 1065794763 /nfs/dbraw/zinc/79/47/63/1065794763.db2.gz MABCOUSIQYORID-KKUMJFAQSA-N 0 0 494.530 4.804 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc(OC)c1OCc1ccccc1 ZINC001439179534 1065795067 /nfs/dbraw/zinc/79/50/67/1065795067.db2.gz OHBLPDXULHFPRF-PXNSSMCTSA-N 0 0 453.457 4.513 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360750436 1065795170 /nfs/dbraw/zinc/79/51/70/1065795170.db2.gz MTLOWLKMVKBQAZ-KNPDAFQQSA-N 0 0 486.604 4.832 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)nn1-c1ccccc1F ZINC001439183832 1065795494 /nfs/dbraw/zinc/79/54/94/1065795494.db2.gz BVGYIIVTMKXHMK-INIZCTEOSA-N 0 0 459.319 4.546 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001439182729 1065795531 /nfs/dbraw/zinc/79/55/31/1065795531.db2.gz YIYBMNIOXSYWEF-WIYYLYMNSA-N 0 0 459.468 4.778 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H](C)NC(=O)OC(C)(C)C ZINC001439185114 1065796005 /nfs/dbraw/zinc/79/60/05/1065796005.db2.gz ZMGMGAZNISGXGZ-XCRHUMRWSA-N 0 0 455.393 4.574 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2ccco2)n1CC[C@H]1COCCO1 ZINC001360750836 1065796126 /nfs/dbraw/zinc/79/61/26/1065796126.db2.gz QOOHINUTEQTMRP-ZWOKBUDYSA-N 0 0 460.962 4.667 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC(C)(C)c1cccs1 ZINC001360750807 1065796211 /nfs/dbraw/zinc/79/62/11/1065796211.db2.gz QFAMUPVVFKDMRW-HLIPFELVSA-N 0 0 458.603 4.804 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1Cc1cc(Br)cs1 ZINC001360750793 1065796322 /nfs/dbraw/zinc/79/63/22/1065796322.db2.gz POIAMDZGLNOICV-GFCCVEGCSA-N 0 0 477.363 4.907 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CC[S@@](=O)C(C)(C)C ZINC001360751124 1065796749 /nfs/dbraw/zinc/79/67/49/1065796749.db2.gz VHCHVCVVQFTWSK-NQLCIYNBSA-N 0 0 462.635 4.873 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc2cccc(Br)c21 ZINC001439197525 1065796933 /nfs/dbraw/zinc/79/69/33/1065796933.db2.gz HGCXJVDEWYNUOU-IBGZPJMESA-N 0 0 452.304 4.863 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c(Cl)cc1NC(C)=O ZINC001439202070 1065797647 /nfs/dbraw/zinc/79/76/47/1065797647.db2.gz HHGKCKAHVPIXMI-VIFPVBQESA-N 0 0 459.713 4.798 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1C ZINC001360751508 1065797930 /nfs/dbraw/zinc/79/79/30/1065797930.db2.gz CCLRMCOCYJGKHV-UHFFFAOYSA-N 0 0 453.340 4.734 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001439204210 1065798011 /nfs/dbraw/zinc/79/80/11/1065798011.db2.gz UOLFUHDWYFAXGU-GUYCJALGSA-N 0 0 450.288 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC2(CCOCC2)C1 ZINC001439203816 1065798055 /nfs/dbraw/zinc/79/80/55/1065798055.db2.gz ZRFWBXHOQDKNPN-DNVJHFABSA-N 0 0 456.627 4.883 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC)cc2OCC(C)C)c(Br)cc1F ZINC001360752875 1065798255 /nfs/dbraw/zinc/79/82/55/1065798255.db2.gz SYKNZAJCKMGCGL-UHFFFAOYSA-N 0 0 454.292 4.671 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c(C)c1 ZINC001360752562 1065798285 /nfs/dbraw/zinc/79/82/85/1065798285.db2.gz QWNMKUWDPGVTTP-UHFFFAOYSA-N 0 0 457.328 4.991 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)c(Br)cc1F ZINC001360752778 1065798302 /nfs/dbraw/zinc/79/83/02/1065798302.db2.gz RQZUMHOOTMWALM-UHFFFAOYSA-N 0 0 459.271 4.601 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ncoc2-c2ccccc2Cl)c(Br)cc1F ZINC001360752712 1065798408 /nfs/dbraw/zinc/79/84/08/1065798408.db2.gz QWLFPJYRAUQSOA-UHFFFAOYSA-N 0 0 453.651 4.936 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c(Br)cc1F ZINC001360751894 1065798429 /nfs/dbraw/zinc/79/84/29/1065798429.db2.gz DKVSGTQAQZJIDW-NWDGAFQWSA-N 0 0 458.230 4.718 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC001439205777 1065798361 /nfs/dbraw/zinc/79/83/61/1065798361.db2.gz YJGJGRJVDPDDOZ-FQEVSTJZSA-N 0 0 452.507 4.602 20 0 JJADRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001360752984 1065798794 /nfs/dbraw/zinc/79/87/94/1065798794.db2.gz WHMDJYCIKYKGND-VQTJNVASSA-N 0 0 450.505 4.876 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CCN(C)CC(F)(F)F ZINC001360753346 1065798842 /nfs/dbraw/zinc/79/88/42/1065798842.db2.gz BGILLBXSKKGWNZ-ZDUSSCGKSA-N 0 0 487.876 4.954 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)c(Br)cc1F ZINC001360752935 1065798909 /nfs/dbraw/zinc/79/89/09/1065798909.db2.gz 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ZINC001439229049 1065802515 /nfs/dbraw/zinc/80/25/15/1065802515.db2.gz REZXRSQRHYPJGJ-UHFFFAOYSA-N 0 0 454.552 4.515 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@]1(C)COCCO1 ZINC001360754067 1065803090 /nfs/dbraw/zinc/80/30/90/1065803090.db2.gz NSJZEVMUOSRTNV-QMHKHESXSA-N 0 0 492.407 4.562 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCSC2)n1CC[S@@](=O)C(C)(C)C ZINC001360754297 1065803742 /nfs/dbraw/zinc/80/37/42/1065803742.db2.gz RDJLTFHDXNJMKK-VFDYIDJGSA-N 0 0 471.092 4.560 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cnccc3-c3ccc(N(C)C)cc3)C2)c1 ZINC001439241300 1065803868 /nfs/dbraw/zinc/80/38/68/1065803868.db2.gz POLSNYJCHRTYSI-JOCHJYFZSA-N 0 0 456.590 4.922 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCCCC2)n1CCCC(=O)N(C)C ZINC001360754330 1065804430 /nfs/dbraw/zinc/80/44/30/1065804430.db2.gz SBPCIHLNGFIYLO-SFHVURJKSA-N 0 0 462.038 4.956 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1C[C@H]1CSCCS1 ZINC001360754386 1065804479 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481.597 4.895 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272221 1065808927 /nfs/dbraw/zinc/80/89/27/1065808927.db2.gz JFYAGXMNUDOSMI-HZPDHXFCSA-N 0 0 458.521 4.872 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1=O ZINC001439275516 1065809420 /nfs/dbraw/zinc/80/94/20/1065809420.db2.gz VAWHXKUXXLTVJR-NCYKPQTJSA-N 0 0 471.642 4.562 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1=O ZINC001439275513 1065809685 /nfs/dbraw/zinc/80/96/85/1065809685.db2.gz VAWHXKUXXLTVJR-DOIPELPJSA-N 0 0 471.642 4.562 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C1CC(C(C)(C)C)C1 ZINC001360755744 1065810218 /nfs/dbraw/zinc/81/02/18/1065810218.db2.gz ILQMAFOJQSZXSA-HNXFYBAISA-N 0 0 460.022 4.736 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001360755685 1065810254 /nfs/dbraw/zinc/81/02/54/1065810254.db2.gz HWMIFWXYEYCNPV-BXKMTCNYSA-N 0 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C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCOC1 ZINC001360756070 1065813113 /nfs/dbraw/zinc/81/31/13/1065813113.db2.gz NZPMWTIFDMJKSS-QZTJIDSGSA-N 0 0 451.011 4.749 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H]1CCCC1(C)C ZINC001360756167 1065813791 /nfs/dbraw/zinc/81/37/91/1065813791.db2.gz PNAXVWCLVFKUQA-OKZBNKHCSA-N 0 0 460.022 4.565 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC001439310425 1065813969 /nfs/dbraw/zinc/81/39/69/1065813969.db2.gz IAFADGKMBIENNQ-ORAYPTAESA-N 0 0 459.411 4.853 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCN1CCOC[C@H]1C ZINC001360756472 1065815234 /nfs/dbraw/zinc/81/52/34/1065815234.db2.gz VCTKULPGCNHHLC-HSALFYBXSA-N 0 0 476.065 4.665 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001439337340 1065815741 /nfs/dbraw/zinc/81/57/41/1065815741.db2.gz CJQKYFAYYLSEGG-DZGCQCFKSA-N 0 0 454.411 4.932 20 0 JJADRN 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C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360757814 1065820913 /nfs/dbraw/zinc/82/09/13/1065820913.db2.gz IRCYSHOZDBPBGN-OALUTQOASA-N 0 0 460.022 4.853 20 0 JJADRN C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001439363418 1065821293 /nfs/dbraw/zinc/82/12/93/1065821293.db2.gz YUMAURWFNKIXEJ-UNMCSNQZSA-N 0 0 450.417 4.739 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360757857 1065821305 /nfs/dbraw/zinc/82/13/05/1065821305.db2.gz JCOWLWTVDFHVKR-ULQDDVLXSA-N 0 0 454.949 4.980 20 0 JJADRN C[C@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1cccc(SC(F)(F)F)c1 ZINC001439376553 1065822114 /nfs/dbraw/zinc/82/21/14/1065822114.db2.gz XEPGPZAWIRYCPP-ZDUSSCGKSA-N 0 0 453.461 4.793 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)s2)cc1 ZINC001439385853 1065822230 /nfs/dbraw/zinc/82/22/30/1065822230.db2.gz KRMQZILJZUXJAX-CRAIPNDOSA-N 0 0 459.612 4.750 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC001439387752 1065822253 /nfs/dbraw/zinc/82/22/53/1065822253.db2.gz NYUSNWRLEQQEDH-IAGOWNOFSA-N 0 0 465.432 4.880 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC2(C)C)n1CCCCCS(C)(=O)=O ZINC001360758097 1065822864 /nfs/dbraw/zinc/82/28/64/1065822864.db2.gz MPMRVPMDNCWPNO-KRWDZBQOSA-N 0 0 469.051 4.665 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCCC[C@@H]3c3ncc(Br)cn3)cc2nc1CC ZINC001439388720 1065822886 /nfs/dbraw/zinc/82/28/86/1065822886.db2.gz LNRVLUVFIIRERS-HXUWFJFHSA-N 0 0 454.372 4.675 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C ZINC001439392970 1065823513 /nfs/dbraw/zinc/82/35/13/1065823513.db2.gz XYTQXTXQPAEERE-WIYYLYMNSA-N 0 0 475.589 4.642 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001360758162 1065823389 /nfs/dbraw/zinc/82/33/89/1065823389.db2.gz NVMGVYSNWQWNHA-RTBURBONSA-N 0 0 495.089 4.911 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CCC=CO1 ZINC001360758212 1065823470 /nfs/dbraw/zinc/82/34/70/1065823470.db2.gz OOCJLRJOWDDVGY-XMSQKQJNSA-N 0 0 461.006 4.753 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ncnn1C(C)(C)C ZINC001360758180 1065823502 /nfs/dbraw/zinc/82/35/02/1065823502.db2.gz OEGGPKKIYHFHSO-JKSUJKDBSA-N 0 0 493.990 4.948 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC(C)(C)C1CC1 ZINC001360758352 1065824128 /nfs/dbraw/zinc/82/41/28/1065824128.db2.gz QWPKRZODYGNAFW-OXJNMPFZSA-N 0 0 481.062 4.521 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1SC ZINC001439397423 1065824450 /nfs/dbraw/zinc/82/44/50/1065824450.db2.gz XWUKTILAURWEGE-NRFANRHFSA-N 0 0 453.482 4.802 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(F)cc1 ZINC001439421533 1065825586 /nfs/dbraw/zinc/82/55/86/1065825586.db2.gz OKXPJHPXDIDWFR-WJOKGBTCSA-N 0 0 456.882 4.577 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N=[S@@]1(=O)CCc2ccccc21 ZINC001439423076 1065825758 /nfs/dbraw/zinc/82/57/58/1065825758.db2.gz KEPDFFPLEQQRFR-XMMPIXPASA-N 0 0 453.345 4.614 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(F)cc1 ZINC001439421526 1065825778 /nfs/dbraw/zinc/82/57/78/1065825778.db2.gz OKXPJHPXDIDWFR-HKBQPEDESA-N 0 0 456.882 4.577 20 0 JJADRN O=C(N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001439430579 1065827020 /nfs/dbraw/zinc/82/70/20/1065827020.db2.gz PJZICIJQMQMTBG-GOSISDBHSA-N 0 0 456.251 4.632 20 0 JJADRN COc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(OCCC(C)C)c1 ZINC001439433410 1065827560 /nfs/dbraw/zinc/82/75/60/1065827560.db2.gz SAYHPJYOSMXYND-UHFFFAOYSA-N 0 0 450.457 4.824 20 0 JJADRN C[S@@](=O)(=NC(=O)CCc1cc(Br)cs1)c1ccccc1Br ZINC001439436533 1065828438 /nfs/dbraw/zinc/82/84/38/1065828438.db2.gz NQTMOGSZGIKHIU-NRFANRHFSA-N 0 0 451.205 4.889 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1cccc(Br)c1 ZINC001439438988 1065829035 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C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CCCN(C)CC(F)(F)F ZINC001360760234 1065831283 /nfs/dbraw/zinc/83/12/83/1065831283.db2.gz IZNYLXFWFNVOJU-INIZCTEOSA-N 0 0 489.970 4.571 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360760123 1065831425 /nfs/dbraw/zinc/83/14/25/1065831425.db2.gz HTZWOKYJOXAGFJ-ZOBUZTSGSA-N 0 0 485.938 4.644 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)OCc2ccccc2I)c2c1CCC2 ZINC001439461809 1065831751 /nfs/dbraw/zinc/83/17/51/1065831751.db2.gz UHIALKUDWAQSQM-UHFFFAOYSA-N 0 0 458.299 4.631 20 0 JJADRN Cn1cc(-c2nc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)c(F)c(F)c3F)cs2)cn1 ZINC001439460787 1065831857 /nfs/dbraw/zinc/83/18/57/1065831857.db2.gz PMWSVZODCJXWBQ-UHFFFAOYSA-N 0 0 453.446 4.560 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCC(C)(F)F ZINC001360760398 1065831993 /nfs/dbraw/zinc/83/19/93/1065831993.db2.gz LKZGFNDXRGTVPM-AWEZNQCLSA-N 0 0 463.907 4.504 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)CCC2 ZINC001439487120 1065833073 /nfs/dbraw/zinc/83/30/73/1065833073.db2.gz QAEYFNWVZNKAGI-NRFANRHFSA-N 0 0 454.571 4.915 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)Nc2cc(Br)ccc2C2=NCCO2)c1 ZINC001439489672 1065833196 /nfs/dbraw/zinc/83/31/96/1065833196.db2.gz FGGGTQKFLMOVJB-UHFFFAOYSA-N 0 0 452.146 4.858 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001439484497 1065833259 /nfs/dbraw/zinc/83/32/59/1065833259.db2.gz JZZWSVZPWQBOKM-UHFFFAOYSA-N 0 0 456.367 4.552 20 0 JJADRN CCOC(=O)[C@@](C)(NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(F)(F)F ZINC001439494410 1065833943 /nfs/dbraw/zinc/83/39/43/1065833943.db2.gz BKLLAQKUCIIYEI-MRXNPFEDSA-N 0 0 454.392 4.751 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCCCC[C@H]1C(F)(F)F ZINC001439490299 1065834038 /nfs/dbraw/zinc/83/40/38/1065834038.db2.gz ZIWXXICSBQMLNQ-INIZCTEOSA-N 0 0 454.474 4.605 20 0 JJADRN CO[C@]1(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CCSC1 ZINC001439497606 1065834792 /nfs/dbraw/zinc/83/47/92/1065834792.db2.gz GAAKTGFSXFMPSO-NRFANRHFSA-N 0 0 454.423 4.700 20 0 JJADRN Cn1c(Cl)c(Cl)cc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001439502810 1065835474 /nfs/dbraw/zinc/83/54/74/1065835474.db2.gz OHYOOJPGCNCJDY-LBPRGKRZSA-N 0 0 456.345 4.815 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@](C)(O)c1ccco1 ZINC001360760951 1065835637 /nfs/dbraw/zinc/83/56/37/1065835637.db2.gz VSAGGWMXMNDJLT-WOGXIUBCSA-N 0 0 474.989 4.576 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOCC3(CC3)C2)n1CCSCC(F)(F)F ZINC001360760895 1065835724 /nfs/dbraw/zinc/83/57/24/1065835724.db2.gz USKGPSNHEMDVPM-OAHLLOKOSA-N 0 0 490.979 4.984 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1CC1 ZINC001360761040 1065836129 /nfs/dbraw/zinc/83/61/29/1065836129.db2.gz XKTMJGCCNPZJEF-KRWDZBQOSA-N 0 0 476.021 4.929 20 0 JJADRN C[C@@H](C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC001439506606 1065836728 /nfs/dbraw/zinc/83/67/28/1065836728.db2.gz VFNZWANGPKUIOV-LJQANCHMSA-N 0 0 450.560 4.590 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001360761744 1065836896 /nfs/dbraw/zinc/83/68/96/1065836896.db2.gz PJDDRPBHCXXMRC-DHIUTWEWSA-N 0 0 453.652 4.856 20 0 JJADRN Cc1c(I)ccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)c1C ZINC001439507647 1065836971 /nfs/dbraw/zinc/83/69/71/1065836971.db2.gz ORTANLRZWMWQFJ-QGZVFWFLSA-N 0 0 457.352 4.995 20 0 JJADRN Cc1c(I)ccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1C ZINC001439510629 1065837453 /nfs/dbraw/zinc/83/74/53/1065837453.db2.gz YKZOVMWRYZLHRK-UHFFFAOYSA-N 0 0 459.287 4.529 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCN1CCOC(C)(C)C1 ZINC001360762116 1065837907 /nfs/dbraw/zinc/83/79/07/1065837907.db2.gz ABBWHSKNHJZRGH-GBESFXJTSA-N 0 0 494.105 4.513 20 0 JJADRN C[C@@H](CC(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21)S(=O)(=O)c1ccc(F)cc1 ZINC001439528332 1065838404 /nfs/dbraw/zinc/83/84/04/1065838404.db2.gz HVLCLKRRDHWOAY-ZDUSSCGKSA-N 0 0 459.461 4.601 20 0 JJADRN CC1(C)CN(C(=O)c2cc(Br)cn3ccnc23)c2cc(C(F)(F)F)ccc2O1 ZINC001439530438 1065838422 /nfs/dbraw/zinc/83/84/22/1065838422.db2.gz BLNHPFOOCONFCL-UHFFFAOYSA-N 0 0 454.246 4.933 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@H]2C)n1C[C@@](C)(O)c1cccs1 ZINC001360762427 1065838655 /nfs/dbraw/zinc/83/86/55/1065838655.db2.gz FRVDNYKRPSACDE-ZMPRRUGASA-N 0 0 479.071 4.982 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@@H]2C)n1C[C@](C)(O)c1cccs1 ZINC001360762426 1065838735 /nfs/dbraw/zinc/83/87/35/1065838735.db2.gz FRVDNYKRPSACDE-WCJKSRRJSA-N 0 0 479.071 4.982 20 0 JJADRN O=C(N[C@H](c1ccccn1)C1CC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC001439542208 1065838807 /nfs/dbraw/zinc/83/88/07/1065838807.db2.gz XZKWBHKGCIXGCU-NRFANRHFSA-N 0 0 459.930 4.556 20 0 JJADRN COC(=O)[C@H](CCC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C)NC(=O)OCc1ccccc1 ZINC001439534236 1065839028 /nfs/dbraw/zinc/83/90/28/1065839028.db2.gz ZASBKVDVLYYECU-UWJYYQICSA-N 0 0 452.551 4.658 20 0 JJADRN CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC001439541536 1065839107 /nfs/dbraw/zinc/83/91/07/1065839107.db2.gz BRQJPNLXXCWVCN-QFIPXVFZSA-N 0 0 456.608 4.751 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)CCS1 ZINC001360762499 1065839523 /nfs/dbraw/zinc/83/95/23/1065839523.db2.gz GMDIBXGKFGSCRG-NQIIRXRSSA-N 0 0 495.089 4.581 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)cs1 ZINC001439545598 1065839820 /nfs/dbraw/zinc/83/98/20/1065839820.db2.gz ICKMBWRPEQDSIY-CQSZACIVSA-N 0 0 453.530 4.882 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 ZINC001439549862 1065840519 /nfs/dbraw/zinc/84/05/19/1065840519.db2.gz SDZNCRICGGBYLC-OAHLLOKOSA-N 0 0 459.917 4.959 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1 ZINC001439551836 1065840538 /nfs/dbraw/zinc/84/05/38/1065840538.db2.gz XNZRNFRZHIURJW-GOSISDBHSA-N 0 0 453.526 4.623 20 0 JJADRN O=C(CCOc1ccccc1-c1ccccc1)NC1(c2ncc(Br)cn2)CCC1 ZINC001439560414 1065841783 /nfs/dbraw/zinc/84/17/83/1065841783.db2.gz AUSKSXQMORLCJO-UHFFFAOYSA-N 0 0 452.352 4.871 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC001360762933 1065842030 /nfs/dbraw/zinc/84/20/30/1065842030.db2.gz NJMWPVCIIPGCHR-XGHQBKJUSA-N 0 0 458.994 5.000 20 0 JJADRN C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360763103 1065842133 /nfs/dbraw/zinc/84/21/33/1065842133.db2.gz QJOSLVGSFDKQTO-HOTGVXAUSA-N 0 0 490.008 4.804 20 0 JJADRN COc1cc(/C=C\C(=O)Nc2cccc(-c3cccnc3)n2)ccc1OCc1c(C)noc1C ZINC001439580677 1065842665 /nfs/dbraw/zinc/84/26/65/1065842665.db2.gz ACHMWSAYAQXZSP-BENRWUELSA-N 0 0 456.502 4.988 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccnc1OCC(F)F ZINC001360763221 1065842685 /nfs/dbraw/zinc/84/26/85/1065842685.db2.gz SDFKYZKCKOYRGG-NVXWUHKLSA-N 0 0 493.555 4.586 20 0 JJADRN COc1cc(/C=C/C(=O)Nc2cccc(-c3cccnc3)n2)ccc1OCc1c(C)noc1C ZINC001439580682 1065842703 /nfs/dbraw/zinc/84/27/03/1065842703.db2.gz ACHMWSAYAQXZSP-ZRDIBKRKSA-N 0 0 456.502 4.988 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C ZINC001360763329 1065843565 /nfs/dbraw/zinc/84/35/65/1065843565.db2.gz USLKTABMWZMUPB-FUHIMQAGSA-N 0 0 473.593 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)CC2CC(F)(F)C2)c2ccccc21 ZINC001439583632 1065843971 /nfs/dbraw/zinc/84/39/71/1065843971.db2.gz ISJDPRUKGWYBFP-ROUUACIJSA-N 0 0 450.526 4.578 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C2CCC2)n1Cc1cccnc1OCC(F)(F)F ZINC001360763587 1065844059 /nfs/dbraw/zinc/84/40/59/1065844059.db2.gz YWOHNKSGJDAHBE-OAHLLOKOSA-N 0 0 479.478 4.930 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCOC[C@H]1CCCO1 ZINC001360763594 1065844124 /nfs/dbraw/zinc/84/41/24/1065844124.db2.gz ZBCIOATXXWRPAQ-VQQMMKBISA-N 0 0 495.089 4.987 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001439585475 1065844538 /nfs/dbraw/zinc/84/45/38/1065844538.db2.gz NJXJSSYVCANBBF-PMACEKPBSA-N 0 0 454.542 4.904 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001439586763 1065844552 /nfs/dbraw/zinc/84/45/52/1065844552.db2.gz QDVNIUZQHUMBKS-YFXJRYMSSA-N 0 0 450.579 4.919 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccon2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360764427 1065844897 /nfs/dbraw/zinc/84/48/97/1065844897.db2.gz AIJPTCITEKSSFJ-KRWDZBQOSA-N 0 0 480.544 4.802 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1Cc1sccc1Br ZINC001360764489 1065844973 /nfs/dbraw/zinc/84/49/73/1065844973.db2.gz AYSXSXIOLNBBBW-GJZGRUSLSA-N 0 0 495.418 4.902 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360764714 1065845509 /nfs/dbraw/zinc/84/55/09/1065845509.db2.gz DSAQLAHDWHHKHC-DLBZAZTESA-N 0 0 482.547 4.828 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CCSC1 ZINC001360764513 1065845534 /nfs/dbraw/zinc/84/55/34/1065845534.db2.gz BDWZPMIZDIBIGV-GJZGRUSLSA-N 0 0 498.550 4.699 20 0 JJADRN CO[C@](C)(C(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1F ZINC001439587960 1065845589 /nfs/dbraw/zinc/84/55/89/1065845589.db2.gz VCRPXIIAKYWFQW-DWXRJYCRSA-N 0 0 456.558 4.808 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1C[C@](C)(O)c1cccs1 ZINC001360764921 1065846753 /nfs/dbraw/zinc/84/67/53/1065846753.db2.gz HOXVFHMTYYJVJH-SZNDQCEHSA-N 0 0 454.518 4.618 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1C[C@](C)(O)c1cccs1 ZINC001360764919 1065846976 /nfs/dbraw/zinc/84/69/76/1065846976.db2.gz HOXVFHMTYYJVJH-QKKBWIMNSA-N 0 0 454.518 4.618 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(C)c(Br)cc2C1 ZINC001439607685 1065847670 /nfs/dbraw/zinc/84/76/70/1065847670.db2.gz BGHGRNQTHDKRRX-UHFFFAOYSA-N 0 0 454.368 4.931 20 0 JJADRN CN1c2ccc(C(=O)NCc3c(Cl)cc(Br)cc3Cl)cc2C(C)(C)C1=O ZINC001439612547 1065847689 /nfs/dbraw/zinc/84/76/89/1065847689.db2.gz LKNKXWOSNAJVMS-UHFFFAOYSA-N 0 0 456.167 4.940 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@](C)(O)C1CC1 ZINC001360765007 1065847794 /nfs/dbraw/zinc/84/77/94/1065847794.db2.gz JJJVAWKCYNORBC-ZSEKCTLFSA-N 0 0 499.534 4.830 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H]1CCCSC1 ZINC001360765327 1065848825 /nfs/dbraw/zinc/84/88/25/1065848825.db2.gz PHQOTMLBAMPBJV-ZWKOTPCHSA-N 0 0 478.634 4.536 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@]1(O)CCCC1(C)C ZINC001360765306 1065848965 /nfs/dbraw/zinc/84/89/65/1065848965.db2.gz OZUJDWNPQITCGF-AVRWGWEMSA-N 0 0 453.562 4.530 20 0 JJADRN O=C(N1CCc2cc(F)c(Br)cc2C1)C1(c2cccc(Br)c2)CC1 ZINC001439624939 1065849117 /nfs/dbraw/zinc/84/91/17/1065849117.db2.gz JWAXZXPAUUERIA-UHFFFAOYSA-N 0 0 453.149 4.967 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCc3cc(C)c(Br)cc3C2)CCN1C(=O)OC(C)(C)C ZINC001439624214 1065849273 /nfs/dbraw/zinc/84/92/73/1065849273.db2.gz JSSAXULWWXEAPN-PKOBYXMFSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360765497 1065850513 /nfs/dbraw/zinc/85/05/13/1065850513.db2.gz SCMZYLBXOJKLHG-HOIFWPIMSA-N 0 0 491.011 4.642 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CCC1(O)CCOCC1 ZINC001360765424 1065850547 /nfs/dbraw/zinc/85/05/47/1065850547.db2.gz QTQKRPYIZIXYQY-IBGZPJMESA-N 0 0 460.594 4.505 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccoc2)n1CCC(=O)NC1CCCCC1 ZINC001360765759 1065851870 /nfs/dbraw/zinc/85/18/70/1065851870.db2.gz XULGMDQKDBIKLD-SFHVURJKSA-N 0 0 469.561 4.626 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCOc1ccc(Cl)cn1 ZINC001360765788 1065851915 /nfs/dbraw/zinc/85/19/15/1065851915.db2.gz YDWRCPYQJVLAGK-MJGOQNOKSA-N 0 0 489.979 4.690 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001439640848 1065852272 /nfs/dbraw/zinc/85/22/72/1065852272.db2.gz ZOBKTHFMEQJALW-NQSCKRDGSA-N 0 0 456.549 4.954 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(C)c2OCc2ccccc2)C1 ZINC001439641360 1065852563 /nfs/dbraw/zinc/85/25/63/1065852563.db2.gz AEENSJCGCTZCIO-DEOSSOPVSA-N 0 0 457.530 4.711 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2c(F)cccc2Cl)c2ccccc2Br)n(C)n1 ZINC001360766008 1065852535 /nfs/dbraw/zinc/85/25/35/1065852535.db2.gz DGJXRPCFHGEYOZ-SFHVURJKSA-N 0 0 450.739 4.997 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2c(F)cccc2Cl)c2ccccc2Br)n(C)n1 ZINC001360766007 1065852671 /nfs/dbraw/zinc/85/26/71/1065852671.db2.gz DGJXRPCFHGEYOZ-GOSISDBHSA-N 0 0 450.739 4.997 20 0 JJADRN CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766221 1065852820 /nfs/dbraw/zinc/85/28/20/1065852820.db2.gz LGDDXTMYSRELRB-MOPGFXCFSA-N 0 0 455.755 4.556 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)Cc3csc4ccc(Br)cc34)cc12 ZINC001439648260 1065852913 /nfs/dbraw/zinc/85/29/13/1065852913.db2.gz IBQUEJIISLTXLA-UHFFFAOYSA-N 0 0 458.337 4.669 20 0 JJADRN CCc1ccc(-c2nc(C(=O)N3CCNC(=O)c4cc(Br)ccc43)cs2)cc1 ZINC001439643332 1065852952 /nfs/dbraw/zinc/85/29/52/1065852952.db2.gz OWFMRIZEFYXNGB-UHFFFAOYSA-N 0 0 456.365 4.525 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)N(c1ccc(CNC(=O)OC(C)(C)C)cc1C)C1CC1 ZINC001360766549 1065853334 /nfs/dbraw/zinc/85/33/34/1065853334.db2.gz WXCMDCNNYZJBKF-UHFFFAOYSA-N 0 0 454.615 4.616 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1 ZINC001360766386 1065853505 /nfs/dbraw/zinc/85/35/05/1065853505.db2.gz RCLNSMRXLOKGJJ-SFHVURJKSA-N 0 0 454.386 4.902 20 0 JJADRN CC(C)Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001439654245 1065853683 /nfs/dbraw/zinc/85/36/83/1065853683.db2.gz HAXROMHIBXFQJA-UHFFFAOYSA-N 0 0 455.620 4.518 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC001439668439 1065854420 /nfs/dbraw/zinc/85/44/20/1065854420.db2.gz DJDXHAHMVYGLQF-QWXGXRTQSA-N 0 0 458.805 4.981 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccoc1 ZINC001360766984 1065854818 /nfs/dbraw/zinc/85/48/18/1065854818.db2.gz HNRNXVVDTRXZHD-AWEZNQCLSA-N 0 0 466.435 4.546 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ncc(Br)cc1Br)c1ccc(Cl)cc1 ZINC001439672606 1065855080 /nfs/dbraw/zinc/85/50/80/1065855080.db2.gz UAVUQILYAGPWAI-NRFANRHFSA-N 0 0 452.555 4.557 20 0 JJADRN O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001439674828 1065855123 /nfs/dbraw/zinc/85/51/23/1065855123.db2.gz JFHNVPQQMAFZLD-DEOSSOPVSA-N 0 0 454.448 4.535 20 0 JJADRN C[S@](=O)(=NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1cccc(Cl)c1 ZINC001439673693 1065855218 /nfs/dbraw/zinc/85/52/18/1065855218.db2.gz KFISAMDKMUVRAK-WJOKGBTCSA-N 0 0 454.935 4.553 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@@](C)(O)c1cccs1 ZINC001360766996 1065855291 /nfs/dbraw/zinc/85/52/91/1065855291.db2.gz HOYSQIDJPUBTKF-QMHKHESXSA-N 0 0 487.626 4.662 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001439679695 1065856312 /nfs/dbraw/zinc/85/63/12/1065856312.db2.gz XJIPXJKRFPODGO-JJCDCTGGSA-N 0 0 452.960 4.598 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(I)c(Cl)c1)c1cccc(Cl)c1 ZINC001439679751 1065856374 /nfs/dbraw/zinc/85/63/74/1065856374.db2.gz XTCDPWLQAMADRR-NRFANRHFSA-N 0 0 454.116 4.895 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC001439681453 1065856498 /nfs/dbraw/zinc/85/64/98/1065856498.db2.gz PDRMGWOVSCASJV-FMTVUPSXSA-N 0 0 457.258 4.560 20 0 JJADRN Cn1cc([C@@H]2CSCCCN2C(=O)CCCSc2ccc(Br)cc2)cn1 ZINC001439680289 1065856650 /nfs/dbraw/zinc/85/66/50/1065856650.db2.gz MAFKMZNYYYKIHW-SFHVURJKSA-N 0 0 454.459 4.762 20 0 JJADRN C/C(=C/C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001439680119 1065856665 /nfs/dbraw/zinc/85/66/65/1065856665.db2.gz RDYPESIOVWXJGM-KAMYIIQDSA-N 0 0 450.461 4.695 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360767556 1065856715 /nfs/dbraw/zinc/85/67/15/1065856715.db2.gz QTMFFPHFPOKFGH-VFNWGFHPSA-N 0 0 456.484 4.663 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O ZINC001360767593 1065856801 /nfs/dbraw/zinc/85/68/01/1065856801.db2.gz RKKHBNSPHMFZAW-ICSRJNTNSA-N 0 0 490.601 4.533 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(Br)cnc1Br ZINC001439685661 1065857138 /nfs/dbraw/zinc/85/71/38/1065857138.db2.gz XERMFICLYGVKDT-HSMVNMDESA-N 0 0 454.162 4.597 20 0 JJADRN Cc1c(Br)cncc1NC(=O)c1ccc(I)cc1Cl ZINC001439681716 1065857309 /nfs/dbraw/zinc/85/73/09/1065857309.db2.gz PXVRRXMRHGKOQG-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001439690172 1065858098 /nfs/dbraw/zinc/85/80/98/1065858098.db2.gz CXVLMKAVCALXER-FNZWTVRRSA-N 0 0 458.599 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC001360768454 1065858139 /nfs/dbraw/zinc/85/81/39/1065858139.db2.gz MTWAHAKUKZYEAV-UGKGYDQZSA-N 0 0 458.599 4.968 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC001360768451 1065858149 /nfs/dbraw/zinc/85/81/49/1065858149.db2.gz MTWAHAKUKZYEAV-DENIHFKCSA-N 0 0 458.599 4.968 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001360768401 1065858303 /nfs/dbraw/zinc/85/83/03/1065858303.db2.gz LSRSGQZCYUZYAO-HXUWFJFHSA-N 0 0 451.441 4.833 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC001360768402 1065858319 /nfs/dbraw/zinc/85/83/19/1065858319.db2.gz LUACOXXKDNUUCL-UHFFFAOYSA-N 0 0 458.942 4.723 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1Br ZINC001439694188 1065858731 /nfs/dbraw/zinc/85/87/31/1065858731.db2.gz OLMJYYRYOBHDPT-SFHVURJKSA-N 0 0 452.776 4.714 20 0 JJADRN C[C@H](CC(N)=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 ZINC001439694294 1065858791 /nfs/dbraw/zinc/85/87/91/1065858791.db2.gz PCZLJNHUVXKAPV-CQSZACIVSA-N 0 0 454.324 4.868 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC001439695832 1065859308 /nfs/dbraw/zinc/85/93/08/1065859308.db2.gz REWDYJZSINHCHR-BVFJVTDLSA-N 0 0 454.489 4.894 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc2ccccc21 ZINC001439699371 1065859860 /nfs/dbraw/zinc/85/98/60/1065859860.db2.gz BNGUYDWMDBJJCV-NRFANRHFSA-N 0 0 453.583 4.933 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)ccc1OC1CCCC1 ZINC001439697154 1065860077 /nfs/dbraw/zinc/86/00/77/1065860077.db2.gz VKZGDPJQCPJAJO-NIYFSFCBSA-N 0 0 458.599 4.926 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCC(C)(F)F ZINC001360769149 1065860497 /nfs/dbraw/zinc/86/04/97/1065860497.db2.gz DYCSTINNGJBTKL-FUHWJXTLSA-N 0 0 452.521 4.855 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(Br)c1 ZINC001439700250 1065860627 /nfs/dbraw/zinc/86/06/27/1065860627.db2.gz BXIQNHHKLGLKAO-CXAGYDPISA-N 0 0 457.384 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C(C)(C)C1 ZINC001439699874 1065860670 /nfs/dbraw/zinc/86/06/70/1065860670.db2.gz JTBVHRZPHVTOLV-KRWDZBQOSA-N 0 0 451.405 4.633 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCOc1ncccc1Cl ZINC001360769182 1065860864 /nfs/dbraw/zinc/86/08/64/1065860864.db2.gz FLQOTWPTZRKRNO-BBWFWOEESA-N 0 0 459.953 4.919 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCOc1ncccc1Cl ZINC001360769183 1065860965 /nfs/dbraw/zinc/86/09/65/1065860965.db2.gz FLQOTWPTZRKRNO-IKGGRYGDSA-N 0 0 459.953 4.919 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001439702355 1065861308 /nfs/dbraw/zinc/86/13/08/1065861308.db2.gz IKCSBUCKPRLXPZ-JOCHJYFZSA-N 0 0 458.599 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C(C)(C)C1 ZINC001439705803 1065862004 /nfs/dbraw/zinc/86/20/04/1065862004.db2.gz ZFDJPJFMMKLTLD-KRWDZBQOSA-N 0 0 450.004 4.768 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)c1 ZINC001439702962 1065862085 /nfs/dbraw/zinc/86/20/85/1065862085.db2.gz KENXGFHLKUEGMC-UHFFFAOYSA-N 0 0 451.885 4.819 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@@H](Cc2nc(C)no2)C1 ZINC001439708482 1065862361 /nfs/dbraw/zinc/86/23/61/1065862361.db2.gz JZXUQYFLWWXOFW-HNNXBMFYSA-N 0 0 458.971 4.749 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)C2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC001439706750 1065862434 /nfs/dbraw/zinc/86/24/34/1065862434.db2.gz XWBGKISQCMMWQY-UHFFFAOYSA-N 0 0 451.405 4.825 20 0 JJADRN Cc1cccc(C)c1CN(C)C(=O)c1ccc(Br)cc1I ZINC001439708876 1065863247 /nfs/dbraw/zinc/86/32/47/1065863247.db2.gz QUCKPVKPMOSQPF-UHFFFAOYSA-N 0 0 458.137 4.943 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCSCC(F)(F)F ZINC001360769725 1065863315 /nfs/dbraw/zinc/86/33/15/1065863315.db2.gz MMEAVSDCTDGNTQ-YESZJQIVSA-N 0 0 488.551 4.716 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1CCSCC(F)(F)F ZINC001360769722 1065863379 /nfs/dbraw/zinc/86/33/79/1065863379.db2.gz MMEAVSDCTDGNTQ-BBWFWOEESA-N 0 0 488.551 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C(C)(C)C1 ZINC001439710040 1065863311 /nfs/dbraw/zinc/86/33/11/1065863311.db2.gz PURQRDVFYWSUQY-SFHVURJKSA-N 0 0 455.521 4.681 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC001439725595 1065864526 /nfs/dbraw/zinc/86/45/26/1065864526.db2.gz DJTOGPGBSSLUIG-UHFFFAOYSA-N 0 0 459.365 4.989 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CC(C)(C)C(F)(F)F ZINC001360770048 1065864805 /nfs/dbraw/zinc/86/48/05/1065864805.db2.gz SCYSGPFIDZRHOJ-IRXDYDNUSA-N 0 0 494.537 4.948 20 0 JJADRN CC[S@@](=O)(=NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1cccc(Cl)c1 ZINC001439729795 1065865300 /nfs/dbraw/zinc/86/53/00/1065865300.db2.gz AQOOJWRNAXOJSK-NDEPHWFRSA-N 0 0 457.770 4.974 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C ZINC001360770143 1065865447 /nfs/dbraw/zinc/86/54/47/1065865447.db2.gz UCHVEUGOXAHOPW-ZWKOTPCHSA-N 0 0 469.609 4.824 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC001439731588 1065865960 /nfs/dbraw/zinc/86/59/60/1065865960.db2.gz DJHHWNPBPVURSL-VQIMIIECSA-N 0 0 457.396 4.962 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCSCC(F)(F)F ZINC001360770250 1065866008 /nfs/dbraw/zinc/86/60/08/1065866008.db2.gz WGNMBBNNJYXEJW-JKSUJKDBSA-N 0 0 498.550 4.580 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(Br)cn2)C1 ZINC001360770354 1065866058 /nfs/dbraw/zinc/86/60/58/1065866058.db2.gz XOMNQFWMQCURLN-DLBZAZTESA-N 0 0 491.409 4.699 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCSCC(F)(F)F ZINC001360770249 1065866181 /nfs/dbraw/zinc/86/61/81/1065866181.db2.gz WGNMBBNNJYXEJW-HZPDHXFCSA-N 0 0 498.550 4.580 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439732446 1065866535 /nfs/dbraw/zinc/86/65/35/1065866535.db2.gz FQQQQFXADPBBAE-MGPUTAFESA-N 0 0 452.904 4.958 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360770530 1065866682 /nfs/dbraw/zinc/86/66/82/1065866682.db2.gz YUXVPSSVFSDOEB-AABGKKOBSA-N 0 0 457.594 4.585 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360770532 1065866715 /nfs/dbraw/zinc/86/67/15/1065866715.db2.gz YUXVPSSVFSDOEB-AQNXPRMDSA-N 0 0 457.594 4.585 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cc1C ZINC001439733416 1065867091 /nfs/dbraw/zinc/86/70/91/1065867091.db2.gz NJHPHSLCEKYZTC-UEVCKROQSA-N 0 0 452.595 4.907 20 0 JJADRN CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001360770745 1065867290 /nfs/dbraw/zinc/86/72/90/1065867290.db2.gz JUJYMVYEKAYOFC-HSZRJFAPSA-N 0 0 450.966 4.785 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C ZINC001360770559 1065867482 /nfs/dbraw/zinc/86/74/82/1065867482.db2.gz ZCIZXOZTUHVQJP-FUHIMQAGSA-N 0 0 473.593 4.879 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3)c2n1 ZINC001360770982 1065867584 /nfs/dbraw/zinc/86/75/84/1065867584.db2.gz PWZDVMMNMBYRTK-DEOSSOPVSA-N 0 0 457.961 4.854 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)cn1 ZINC001360770986 1065868047 /nfs/dbraw/zinc/86/80/47/1065868047.db2.gz PYLDPCJZGHHKAV-SANMLTNESA-N 0 0 451.526 4.531 20 0 JJADRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001360771040 1065868171 /nfs/dbraw/zinc/86/81/71/1065868171.db2.gz RGNRCQIMIRQVRC-KDYSTLNUSA-N 0 0 452.554 4.651 20 0 JJADRN Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001360771167 1065868256 /nfs/dbraw/zinc/86/82/56/1065868256.db2.gz UZTCRNWVSDWLMH-QHCPKHFHSA-N 0 0 455.583 4.776 20 0 JJADRN C[C@]12CN(C(=O)c3c(F)c(Br)ccc3I)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001439742474 1065868510 /nfs/dbraw/zinc/86/85/10/1065868510.db2.gz QPRVUOZVHDBGBF-VZVWNTEVSA-N 0 0 478.143 4.701 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1F ZINC001439743561 1065868585 /nfs/dbraw/zinc/86/85/85/1065868585.db2.gz MDBIGVMJPDYKRQ-UHFFFAOYSA-N 0 0 451.285 4.876 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001360771698 1065868721 /nfs/dbraw/zinc/86/87/21/1065868721.db2.gz BZNHFIUGOQDGJI-RTBURBONSA-N 0 0 489.636 4.503 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001360771695 1065868856 /nfs/dbraw/zinc/86/88/56/1065868856.db2.gz BZNHFIUGOQDGJI-MOPGFXCFSA-N 0 0 489.636 4.503 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001360771844 1065869008 /nfs/dbraw/zinc/86/90/08/1065869008.db2.gz GFCANOKNHLKRHU-LHSJRXKWSA-N 0 0 453.963 4.701 20 0 JJADRN COc1ccc(-n2nc(C(=O)N3CCC[C@H]3Cc3ccc(Br)cc3)cc2C)cc1 ZINC001439745431 1065869375 /nfs/dbraw/zinc/86/93/75/1065869375.db2.gz DMBFNSLXFWZLFU-FQEVSTJZSA-N 0 0 454.368 4.799 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c(OCCC(C)C)c1 ZINC001439744271 1065869588 /nfs/dbraw/zinc/86/95/88/1065869588.db2.gz YZXLMVJZSINNOT-HXUWFJFHSA-N 0 0 458.986 4.808 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(C)cc(C(=O)OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC001439747818 1065870041 /nfs/dbraw/zinc/87/00/41/1065870041.db2.gz RYZQLVYRRBLMIA-UPVQGACJSA-N 0 0 452.551 4.509 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 ZINC001439749878 1065870213 /nfs/dbraw/zinc/87/02/13/1065870213.db2.gz SVBZXUNRWRYVAG-ZLNRFVROSA-N 0 0 470.610 4.560 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC001439749091 1065870338 /nfs/dbraw/zinc/87/03/38/1065870338.db2.gz WADZGJHXVDVTMD-QFIPXVFZSA-N 0 0 450.922 4.935 20 0 JJADRN Cc1ccc([S@](C)(=O)=NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001439750971 1065870843 /nfs/dbraw/zinc/87/08/43/1065870843.db2.gz XEXKKVRZDRSBNP-LJAQVGFWSA-N 0 0 459.614 4.847 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCc1cccs1 ZINC001360773527 1065871516 /nfs/dbraw/zinc/87/15/16/1065871516.db2.gz JLYBSEOQIBHBIV-IAGOWNOFSA-N 0 0 497.562 4.934 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCOCC(F)F ZINC001360773842 1065872361 /nfs/dbraw/zinc/87/23/61/1065872361.db2.gz MRYKFFFADPTQLQ-KBPBESRZSA-N 0 0 466.426 4.618 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCOCC(F)F ZINC001360773843 1065872733 /nfs/dbraw/zinc/87/27/33/1065872733.db2.gz MRYKFFFADPTQLQ-KGLIPLIRSA-N 0 0 466.426 4.618 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1Cc1cccc(Br)n1 ZINC001360773819 1065872769 /nfs/dbraw/zinc/87/27/69/1065872769.db2.gz MMIPPSBSJYHSKN-HUUCEWRRSA-N 0 0 460.351 4.752 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2CCc3cc(Br)c(F)cc3C2)cc1F ZINC001439766993 1065873206 /nfs/dbraw/zinc/87/32/06/1065873206.db2.gz AOIDPCVBVHPEKI-UHFFFAOYSA-N 0 0 451.311 4.910 20 0 JJADRN C[C@@H]1Cc2cc(NC(=O)c3ccc(Br)cc3I)ccc2O1 ZINC001439773242 1065873636 /nfs/dbraw/zinc/87/36/36/1065873636.db2.gz TWYCVFIBZPWHHA-SECBINFHSA-N 0 0 458.093 4.629 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)c1nc(Cl)ccc1F ZINC001439777167 1065874309 /nfs/dbraw/zinc/87/43/09/1065874309.db2.gz KWWRSGAZWDNGNO-GOSISDBHSA-N 0 0 458.702 4.716 20 0 JJADRN CC(C)(C)OCc1cccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 ZINC001439776022 1065874362 /nfs/dbraw/zinc/87/43/62/1065874362.db2.gz WALRCBUAPHCFAS-UHFFFAOYSA-N 0 0 458.605 4.710 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCc1cccs1 ZINC001360774810 1065874565 /nfs/dbraw/zinc/87/45/65/1065874565.db2.gz UBDOCLZEQSDICO-IAGOWNOFSA-N 0 0 497.562 4.934 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCc1cccs1 ZINC001360774811 1065874738 /nfs/dbraw/zinc/87/47/38/1065874738.db2.gz UBDOCLZEQSDICO-IRXDYDNUSA-N 0 0 497.562 4.934 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC3(CCC3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001360774785 1065874793 /nfs/dbraw/zinc/87/47/93/1065874793.db2.gz PQXHHXREHJCRHM-GOSISDBHSA-N 0 0 473.593 4.852 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360774772 1065874895 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ZINC001360785717 1065899965 /nfs/dbraw/zinc/89/99/65/1065899965.db2.gz BBHOPTRHPHTHKR-OFNKIYASSA-N 0 0 457.014 4.979 20 0 JJADRN O=C(c1cc(F)c(Oc2ccccc2)c(F)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001360786373 1065900430 /nfs/dbraw/zinc/90/04/30/1065900430.db2.gz XXNYYUQCXSBWSH-UHFFFAOYSA-N 0 0 456.876 4.895 20 0 JJADRN Cc1nn(C)c(Cl)c1COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001360787692 1065900516 /nfs/dbraw/zinc/90/05/16/1065900516.db2.gz ZXEJAPPETPDLCX-SJORKVTESA-N 0 0 468.381 4.729 20 0 JJADRN CC(C)(C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1)c1csc(-c2ccccc2F)n1 ZINC001360787004 1065900600 /nfs/dbraw/zinc/90/06/00/1065900600.db2.gz MKRPBFYMXOQARU-SFHVURJKSA-N 0 0 451.567 4.648 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)[C@H]1c1ccccc1OC ZINC001440001227 1065901346 /nfs/dbraw/zinc/90/13/46/1065901346.db2.gz PQNOPXKAMWPRQR-UWDQQESISA-N 0 0 454.998 4.712 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)[C@H]1c1ccccc1OC ZINC001440001199 1065901360 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O=C(Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1)c1c(F)cccc1I ZINC001440031826 1065905258 /nfs/dbraw/zinc/90/52/58/1065905258.db2.gz ZLHJZBMJYNDDOF-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3cccc(OC)c3OC(F)F)nc21 ZINC001440044879 1065906549 /nfs/dbraw/zinc/90/65/49/1065906549.db2.gz OHHHWEHVFCFUGO-UHFFFAOYSA-N 0 0 459.268 4.930 20 0 JJADRN CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c2cc(Br)ccc21 ZINC001440047072 1065906606 /nfs/dbraw/zinc/90/66/06/1065906606.db2.gz NXSDMJKLBJPHRW-GJZGRUSLSA-N 0 0 455.274 4.934 20 0 JJADRN C[C@@]1(C(N)=O)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCC2CCCC2)C1 ZINC001360792356 1065906987 /nfs/dbraw/zinc/90/69/87/1065906987.db2.gz NKMWQKWXIJTJHG-JOCHJYFZSA-N 0 0 478.410 4.519 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](C)OCc2cccc(C)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793023 1065907543 /nfs/dbraw/zinc/90/75/43/1065907543.db2.gz GTAONWQROCCDBR-FTBPSBKWSA-N 0 0 452.595 4.938 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccc(F)cc2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793216 1065907738 /nfs/dbraw/zinc/90/77/38/1065907738.db2.gz IOOUYRATBNLEQB-CTUHWIOQSA-N 0 0 456.558 4.769 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NCCc2nc(Cc3ccccc3)no2)ccc1Br ZINC001440064019 1065908188 /nfs/dbraw/zinc/90/81/88/1065908188.db2.gz VXNLAHZKCKGOTR-UHFFFAOYSA-N 0 0 456.384 4.659 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccn(-c3ccccc3F)n1)CC2 ZINC001440063368 1065908244 /nfs/dbraw/zinc/90/82/44/1065908244.db2.gz IQLRELNOXVUPCF-NRFANRHFSA-N 0 0 456.562 4.509 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793801 1065908245 /nfs/dbraw/zinc/90/82/45/1065908245.db2.gz OEWMPUUBUONOGZ-PMACEKPBSA-N 0 0 457.571 4.642 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC001360794464 1065908622 /nfs/dbraw/zinc/90/86/22/1065908622.db2.gz WKLFJDJKWZRZDI-DNQXCXABSA-N 0 0 450.579 4.592 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 ZINC001360794486 1065908676 /nfs/dbraw/zinc/90/86/76/1065908676.db2.gz WWDHIRFKCFKDFT-JOCHJYFZSA-N 0 0 450.922 4.935 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCOc3c(F)cccc32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794805 1065909236 /nfs/dbraw/zinc/90/92/36/1065909236.db2.gz ZDGAEMUZAZREQY-VWPQPMDRSA-N 0 0 454.542 4.730 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOC2CCCCCC2)C1 ZINC001360794871 1065909246 /nfs/dbraw/zinc/90/92/46/1065909246.db2.gz UAEXOGDABIFUKZ-QHCPKHFHSA-N 0 0 480.440 4.693 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCOc3c(F)cccc32)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794802 1065909283 /nfs/dbraw/zinc/90/92/83/1065909283.db2.gz ZDGAEMUZAZREQY-KCZVDYSFSA-N 0 0 454.542 4.730 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccc3)n2)c1 ZINC001440074127 1065909386 /nfs/dbraw/zinc/90/93/86/1065909386.db2.gz KEZIEEDYNRJDHR-UHFFFAOYSA-N 0 0 459.955 4.809 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2)n1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001440072607 1065909446 /nfs/dbraw/zinc/90/94/46/1065909446.db2.gz GDPZZHCNMSVRBT-HNNXBMFYSA-N 0 0 452.308 4.628 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(Cl)ncc1Br)c1ccc(C(C)(C)C)cc1 ZINC001360795214 1065909595 /nfs/dbraw/zinc/90/95/95/1065909595.db2.gz BIYUGPBVHLIMNG-MRXNPFEDSA-N 0 0 453.764 4.829 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001440076453 1065909964 /nfs/dbraw/zinc/90/99/64/1065909964.db2.gz MHLCYTJTJUFIAW-LIIATPLRSA-N 0 0 465.594 4.943 20 0 JJADRN C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cccc(C(=O)c2ccccc2)c1 ZINC001440077811 1065910159 /nfs/dbraw/zinc/91/01/59/1065910159.db2.gz LTTQVHYYAMUTQX-LEBAXDHQSA-N 0 0 462.590 4.927 20 0 JJADRN CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360798969 1065910158 /nfs/dbraw/zinc/91/01/58/1065910158.db2.gz SIBOLYXXESTPBI-GOSISDBHSA-N 0 0 483.966 4.606 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC[C@H]1c1ccc(C)cc1)C2=O ZINC001360799200 1065910650 /nfs/dbraw/zinc/91/06/50/1065910650.db2.gz BODJBDNHEHZUMD-ZVOVCPRUSA-N 0 0 453.627 4.966 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001360800455 1065911253 /nfs/dbraw/zinc/91/12/53/1065911253.db2.gz DEANUAZDNVUENY-NQIIRXRSSA-N 0 0 459.631 4.713 20 0 JJADRN CC1(C)CCC(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001360800622 1065911332 /nfs/dbraw/zinc/91/13/32/1065911332.db2.gz ICXLLTWGUWCUFW-UHFFFAOYSA-N 0 0 454.596 4.676 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001360800456 1065911345 /nfs/dbraw/zinc/91/13/45/1065911345.db2.gz DEANUAZDNVUENY-RXVVDRJESA-N 0 0 459.631 4.713 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001440098998 1065911626 /nfs/dbraw/zinc/91/16/26/1065911626.db2.gz FPJLDWQUNJCDOO-UHFFFAOYSA-N 0 0 457.615 4.905 20 0 JJADRN CC1(C)C[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360801755 1065912723 /nfs/dbraw/zinc/91/27/23/1065912723.db2.gz NBSOJKUPCCFXSH-LBPRGKRZSA-N 0 0 491.327 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001440114730 1065913146 /nfs/dbraw/zinc/91/31/46/1065913146.db2.gz KOWOYTUYEHXCFK-QFIPXVFZSA-N 0 0 456.505 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccn(CCc3ccccc3)n2)C1 ZINC001440113194 1065913353 /nfs/dbraw/zinc/91/33/53/1065913353.db2.gz IESZINFRNWQBGC-SANMLTNESA-N 0 0 452.599 4.522 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001440114096 1065913395 /nfs/dbraw/zinc/91/33/95/1065913395.db2.gz UFLMAUFOALJTST-HNNXBMFYSA-N 0 0 450.898 4.602 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)COc1ccc(F)cc1F)C(F)(F)F ZINC001440121989 1065913687 /nfs/dbraw/zinc/91/36/87/1065913687.db2.gz PYJKOMIORDIXQW-KRWDZBQOSA-N 0 0 453.411 4.608 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360802760 1065914247 /nfs/dbraw/zinc/91/42/47/1065914247.db2.gz MZMJWCLGSVSYMZ-KUHUBIRLSA-N 0 0 484.485 4.782 20 0 JJADRN CC1(C)Cc2occc2CN(c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)C1 ZINC001360802490 1065914357 /nfs/dbraw/zinc/91/43/57/1065914357.db2.gz HUFFOMHNPPUONG-UHFFFAOYSA-N 0 0 481.544 4.794 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360803104 1065914686 /nfs/dbraw/zinc/91/46/86/1065914686.db2.gz UKKCSEMOYZHGNK-MRXNPFEDSA-N 0 0 471.955 4.631 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001360802893 1065914958 /nfs/dbraw/zinc/91/49/58/1065914958.db2.gz PLVJMXDSYLVMHW-NRFANRHFSA-N 0 0 450.425 4.747 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)NCCCCSc1ccccc1Br)C2 ZINC001360804166 1065915326 /nfs/dbraw/zinc/91/53/26/1065915326.db2.gz NODFXSUMPMCHQN-INIZCTEOSA-N 0 0 450.398 4.698 20 0 JJADRN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)no1 ZINC001360804507 1065915713 /nfs/dbraw/zinc/91/57/13/1065915713.db2.gz UVBQTAKWMFSVPS-MRXNPFEDSA-N 0 0 453.852 4.662 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360804888 1065915741 /nfs/dbraw/zinc/91/57/41/1065915741.db2.gz AVWNRKFIXGSUIF-DOTOQJQBSA-N 0 0 483.476 4.779 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360805212 1065916741 /nfs/dbraw/zinc/91/67/41/1065916741.db2.gz KUZVPHJWRDFAEA-CYBMUJFWSA-N 0 0 490.368 4.756 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCC(F)(F)F)C1 ZINC001360805272 1065916911 /nfs/dbraw/zinc/91/69/11/1065916911.db2.gz MYKPCZOKTXBJLU-UHFFFAOYSA-N 0 0 466.371 4.958 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2cc(Br)ccc2Cl)CC[C@H](C)c2ccccc21 ZINC001440146744 1065917017 /nfs/dbraw/zinc/91/70/17/1065917017.db2.gz LJBDZDFGWCSKPD-ZSEKCTLFSA-N 0 0 450.760 4.727 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001440151309 1065917477 /nfs/dbraw/zinc/91/74/77/1065917477.db2.gz JXGPKIKVVGWECH-OAHLLOKOSA-N 0 0 453.967 4.675 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360805771 1065918279 /nfs/dbraw/zinc/91/82/79/1065918279.db2.gz ZLPGHERJJFEQFO-MRXNPFEDSA-N 0 0 488.961 4.842 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@@H]1CCOCC12CCCC2 ZINC001440160714 1065918415 /nfs/dbraw/zinc/91/84/15/1065918415.db2.gz WQLKLKNZIYVCQR-CYBMUJFWSA-N 0 0 451.224 4.671 20 0 JJADRN O=C(COc1ccc(F)c(Cl)c1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001440163880 1065918470 /nfs/dbraw/zinc/91/84/70/1065918470.db2.gz CYLZUVFYEWMMNG-UHFFFAOYSA-N 0 0 456.739 4.828 20 0 JJADRN O=C(Nc1ccccc1NC(=O)c1cc(Br)c2nccnc2c1)c1cccs1 ZINC001360806328 1065918774 /nfs/dbraw/zinc/91/87/74/1065918774.db2.gz GKRBMXGESVGADX-UHFFFAOYSA-N 0 0 453.321 4.958 20 0 JJADRN CNC(=O)c1cc(OC)ccc1NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21 ZINC001360806467 1065918984 /nfs/dbraw/zinc/91/89/84/1065918984.db2.gz IJPVRSIWGJPVOM-UHFFFAOYSA-N 0 0 457.530 4.627 20 0 JJADRN O=C(CCCOc1cccc(F)c1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001440164907 1065919042 /nfs/dbraw/zinc/91/90/42/1065919042.db2.gz LOWANDIKFPFZLB-UHFFFAOYSA-N 0 0 450.348 4.955 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)ccc1S(C)(=O)=O ZINC001440165281 1065919104 /nfs/dbraw/zinc/91/91/04/1065919104.db2.gz NMWUMWASSJORHY-LLVKDONJSA-N 0 0 457.495 4.823 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ncccc2C(F)(F)F)c2ccc(OC)cc2)n1 ZINC001360807696 1065919501 /nfs/dbraw/zinc/91/95/01/1065919501.db2.gz XXNNRRSSTFTNRH-UHFFFAOYSA-N 0 0 451.426 4.721 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c1 ZINC001360807014 1065919524 /nfs/dbraw/zinc/91/95/24/1065919524.db2.gz VVBPMQAIIZTUCG-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C1 ZINC001440171711 1065920056 /nfs/dbraw/zinc/92/00/56/1065920056.db2.gz SEVMIRSPRJYWMC-MRXNPFEDSA-N 0 0 452.477 4.769 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1cnn(-c3ccccc3Cl)c1)CCOC2 ZINC001440170880 1065920256 /nfs/dbraw/zinc/92/02/56/1065920256.db2.gz LHWMQJOWQANTQD-UHFFFAOYSA-N 0 0 459.955 4.868 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCCC(C)(C)C3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001360808283 1065920719 /nfs/dbraw/zinc/92/07/19/1065920719.db2.gz JHFATQAHPQVLOP-UYXZNNOOSA-N 0 0 475.678 4.616 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001360808159 1065920740 /nfs/dbraw/zinc/92/07/40/1065920740.db2.gz IEFPEFBJYMDQRX-UHFFFAOYSA-N 0 0 474.049 4.930 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)ccc1S(C)(=O)=O ZINC001440179332 1065921288 /nfs/dbraw/zinc/92/12/88/1065921288.db2.gz SLPWUYGEWNRIFG-HNNXBMFYSA-N 0 0 458.605 4.837 20 0 JJADRN Cc1cc(C(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)nn1[C@@H](C)C1CC1 ZINC001440178322 1065921486 /nfs/dbraw/zinc/92/14/86/1065921486.db2.gz BXFVEGKOXSNUQD-HNNXBMFYSA-N 0 0 458.525 4.567 20 0 JJADRN CC1(C)CCCN(c2nnc(CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001360808366 1065921649 /nfs/dbraw/zinc/92/16/49/1065921649.db2.gz MNBSHCGEDWPDMY-UHFFFAOYSA-N 0 0 459.516 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001440184599 1065922464 /nfs/dbraw/zinc/92/24/64/1065922464.db2.gz XLJAIQUSGKQDCA-UHFFFAOYSA-N 0 0 456.292 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC001440184578 1065922548 /nfs/dbraw/zinc/92/25/48/1065922548.db2.gz XDUOXHVHSQFKTH-UHFFFAOYSA-N 0 0 456.505 4.804 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001440183476 1065922589 /nfs/dbraw/zinc/92/25/89/1065922589.db2.gz VSZOLHHPYQLKGK-KRWDZBQOSA-N 0 0 458.521 4.691 20 0 JJADRN CC(C)(C)[S@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCCC1(C)C ZINC001360808884 1065922780 /nfs/dbraw/zinc/92/27/80/1065922780.db2.gz WFZGYGNQVIHACD-HHHXNRCGSA-N 0 0 453.450 4.634 20 0 JJADRN CO[C@@H](C(=O)Nc1scc(-c2ccsc2)c1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001440199305 1065923000 /nfs/dbraw/zinc/92/30/00/1065923000.db2.gz KHAWXCOGKHDLAQ-HNNXBMFYSA-N 0 0 453.582 4.727 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001360809555 1065923023 /nfs/dbraw/zinc/92/30/23/1065923023.db2.gz DCVAZVXXMWPLFA-HXUWFJFHSA-N 0 0 451.613 4.946 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOC[C@@H]1CCOC1 ZINC001360811305 1065924168 /nfs/dbraw/zinc/92/41/68/1065924168.db2.gz NAXSLQDMKRRSIO-KRWDZBQOSA-N 0 0 463.420 4.530 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCOC[C@H]1CCOC1 ZINC001360811112 1065924186 /nfs/dbraw/zinc/92/41/86/1065924186.db2.gz GKGBJOQWRFSGFB-MRXNPFEDSA-N 0 0 481.410 4.669 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCOC[C@@H]1CCOC1 ZINC001360811111 1065924277 /nfs/dbraw/zinc/92/42/77/1065924277.db2.gz GKGBJOQWRFSGFB-INIZCTEOSA-N 0 0 481.410 4.669 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001360810836 1065924399 /nfs/dbraw/zinc/92/43/99/1065924399.db2.gz YCWLBGDZJSBYDP-LLVKDONJSA-N 0 0 456.896 4.598 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2c3ccc(Cl)cc3C[C@H]2C)c1)c1ccccc1 ZINC001440217287 1065924642 /nfs/dbraw/zinc/92/46/42/1065924642.db2.gz WWEYVMARQBFPMY-IAGOWNOFSA-N 0 0 454.979 4.971 20 0 JJADRN C[C@@H]1CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC001440216692 1065924739 /nfs/dbraw/zinc/92/47/39/1065924739.db2.gz PFPKKHKGPFTHBU-KBMXLJTQSA-N 0 0 454.411 4.813 20 0 JJADRN CCC[C@H](NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001360811918 1065924828 /nfs/dbraw/zinc/92/48/28/1065924828.db2.gz MCUDVXQLJQCIID-IBGZPJMESA-N 0 0 456.530 4.844 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1)C(=O)OC(C)(C)C ZINC001440224519 1065925205 /nfs/dbraw/zinc/92/52/05/1065925205.db2.gz DQLGQEAABWETDA-SFHVURJKSA-N 0 0 451.011 4.587 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC001360812313 1065925231 /nfs/dbraw/zinc/92/52/31/1065925231.db2.gz UHRWCPBONUXHCP-APWZRJJASA-N 0 0 478.014 4.885 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)c2cnn(C(C)C)c2n1 ZINC001440246814 1065926209 /nfs/dbraw/zinc/92/62/09/1065926209.db2.gz CCSSMVCXLAQVKF-IBGZPJMESA-N 0 0 456.472 4.755 20 0 JJADRN C[C@@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1N(C)C ZINC001440249317 1065926419 /nfs/dbraw/zinc/92/64/19/1065926419.db2.gz GBQTWSKSUUYGDP-LLVKDONJSA-N 0 0 455.843 4.636 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H](CC)c1ccccc1 ZINC001545929434 1065926451 /nfs/dbraw/zinc/92/64/51/1065926451.db2.gz YDXUMSBAIJCBEX-SIKLNZKXSA-N 0 0 455.647 4.642 20 0 JJADRN CC(C)(C)[S@@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C)CC1 ZINC001360814015 1065926744 /nfs/dbraw/zinc/92/67/44/1065926744.db2.gz LNNNSTLMZAUYHZ-NDEPHWFRSA-N 0 0 467.477 4.881 20 0 JJADRN CC1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)CC1 ZINC001360814268 1065926842 /nfs/dbraw/zinc/92/68/42/1065926842.db2.gz QPJQNCHCKAUOJF-UHFFFAOYSA-N 0 0 475.565 4.664 20 0 JJADRN CC[C@@H](CNC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C)Cc1cccc(Br)c1 ZINC001360814539 1065927294 /nfs/dbraw/zinc/92/72/94/1065927294.db2.gz HDVULGOUSPAZNH-UQNRQAKVSA-N 0 0 465.432 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(Br)cc4cccnc43)CCC[C@@H]12 ZINC001440279175 1065927330 /nfs/dbraw/zinc/92/73/30/1065927330.db2.gz YSRQCUPQLRFDHA-VGSWGCGISA-N 0 0 460.372 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(-c4ccc(Br)cc4)no3)CCC[C@@H]12 ZINC001440277093 1065927367 /nfs/dbraw/zinc/92/73/67/1065927367.db2.gz QURRVOSZJNNPSL-GCJKJVERSA-N 0 0 476.371 4.766 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)NC[C@H](CC)Cc3cccc(Br)c3)CC2=O)cc1 ZINC001360814360 1065927426 /nfs/dbraw/zinc/92/74/26/1065927426.db2.gz FHSFJCBCOLPCQH-UYAOXDASSA-N 0 0 457.412 4.750 20 0 JJADRN CC(C)(C)c1csc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C)(C)CC2)n1 ZINC001360814639 1065927442 /nfs/dbraw/zinc/92/74/42/1065927442.db2.gz ZOBHCMLXXHSBOX-UHFFFAOYSA-N 0 0 487.695 4.777 20 0 JJADRN CC1(C)CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001360814650 1065927534 /nfs/dbraw/zinc/92/75/34/1065927534.db2.gz ZQZVZFZHGDBVGG-UHFFFAOYSA-N 0 0 458.672 4.589 20 0 JJADRN CC[C@@H](CNC(=O)CCc1c(C)nc(SC)nc1C)Cc1cccc(Br)c1 ZINC001360814935 1065927994 /nfs/dbraw/zinc/92/79/94/1065927994.db2.gz NVVFUXIQOVRCTF-MRXNPFEDSA-N 0 0 450.446 4.896 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)cnc1C ZINC001440291252 1065928259 /nfs/dbraw/zinc/92/82/59/1065928259.db2.gz JCOMRAKFDWEYTJ-UHFFFAOYSA-N 0 0 454.324 4.925 20 0 JJADRN CC[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)Cc1cccc(Br)c1 ZINC001360815236 1065928392 /nfs/dbraw/zinc/92/83/92/1065928392.db2.gz TZRKXQGDPVVQIE-UUOWRZLLSA-N 0 0 457.412 4.829 20 0 JJADRN CC1(C)CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001360815594 1065928546 /nfs/dbraw/zinc/92/85/46/1065928546.db2.gz DGZDVHCUTIDVKQ-UHFFFAOYSA-N 0 0 465.545 4.941 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001440296859 1065929168 /nfs/dbraw/zinc/92/91/68/1065929168.db2.gz WEFITODWWLYXKJ-AREMUKBSSA-N 0 0 450.535 4.793 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001440297352 1065929231 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Cc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c(C)c1 ZINC001440653011 1065959037 /nfs/dbraw/zinc/95/90/37/1065959037.db2.gz NXYNTSHOUJBDGB-UHFFFAOYSA-N 0 0 454.567 4.914 20 0 JJADRN CN1CCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 ZINC001440656095 1065959050 /nfs/dbraw/zinc/95/90/50/1065959050.db2.gz FXRHVTADGWWFQD-UHFFFAOYSA-N 0 0 451.436 4.785 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)CC(N)=O)c1Br ZINC001360849341 1065959109 /nfs/dbraw/zinc/95/91/09/1065959109.db2.gz RGAGNFLEHMLUEV-LLVKDONJSA-N 0 0 496.862 4.788 20 0 JJADRN C[C@@]12CCN(c3nnc(COc4ccccc4F)n3CCCOCC(F)F)C[C@@H]1C2(Cl)Cl ZINC001360849492 1065959499 /nfs/dbraw/zinc/95/94/99/1065959499.db2.gz TZBBOKHAIQDSPX-OXJNMPFZSA-N 0 0 493.357 4.688 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001440658508 1065959821 /nfs/dbraw/zinc/95/98/21/1065959821.db2.gz LKWAFJPHNHPQFG-HXUWFJFHSA-N 0 0 455.555 4.775 20 0 JJADRN COc1ccc(-c2nc(NC(=O)CCC(=O)Nc3nnc(CC(C)C)s3)sc2C)cc1 ZINC001440659201 1065959960 /nfs/dbraw/zinc/95/99/60/1065959960.db2.gz MRXMRXBCAJZGAF-UHFFFAOYSA-N 0 0 459.597 4.535 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)cc2)c1 ZINC001360849890 1065960269 /nfs/dbraw/zinc/96/02/69/1065960269.db2.gz MMQKJYCPWCSVGS-UHFFFAOYSA-N 0 0 454.979 4.640 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nc(C)c(C(=O)OCC)s1 ZINC001360850015 1065960310 /nfs/dbraw/zinc/96/03/10/1065960310.db2.gz OTXGKYCDWJQQOZ-QGTPRVQTSA-N 0 0 458.580 4.725 20 0 JJADRN CN(CCCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)OC(C)(C)C ZINC001440664349 1065960420 /nfs/dbraw/zinc/96/04/20/1065960420.db2.gz GRMFSVKZDARVHD-UHFFFAOYSA-N 0 0 453.583 4.635 20 0 JJADRN Cc1sc(C)c(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H]2CCSC2)c1Br ZINC001360850555 1065961046 /nfs/dbraw/zinc/96/10/46/1065961046.db2.gz ICYHONSRYSGYGJ-MRXNPFEDSA-N 0 0 478.485 4.695 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC001360850515 1065961097 /nfs/dbraw/zinc/96/10/97/1065961097.db2.gz HEZYSVOAGSILCI-IRXDYDNUSA-N 0 0 482.467 4.955 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(Br)C3)n2Cc2ccn(C)n2)c1C ZINC001360850712 1065961544 /nfs/dbraw/zinc/96/15/44/1065961544.db2.gz NGLCZGUNDIKVNM-SFHVURJKSA-N 0 0 485.430 4.696 20 0 JJADRN Cc1sc(C)c(Cn2c(N(C)CC(C)C)nnc2[C@@]2(OC(C)C)CCOC2)c1Br ZINC001360850822 1065962311 /nfs/dbraw/zinc/96/23/11/1065962311.db2.gz QZEDANGHDRZBDC-OAQYLSRUSA-N 0 0 485.492 4.900 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001360850950 1065962824 /nfs/dbraw/zinc/96/28/24/1065962824.db2.gz WLAZAQXSAAHQDQ-AEFFLSMTSA-N 0 0 482.467 4.926 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(F)(F)F)CC1 ZINC001360850968 1065962848 /nfs/dbraw/zinc/96/28/48/1065962848.db2.gz WWYUATJTVLGDMV-GFCCVEGCSA-N 0 0 463.273 4.999 20 0 JJADRN O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H](c1cccs1)N1CCOCC1 ZINC001440676590 1065963205 /nfs/dbraw/zinc/96/32/05/1065963205.db2.gz OSIMDSNKKUHSGA-GOSISDBHSA-N 0 0 455.407 4.598 20 0 JJADRN Cc1sc(C)c(Cn2c(Cc3cccnc3)nnc2N2CCC(F)(F)C2)c1Br ZINC001360851070 1065963351 /nfs/dbraw/zinc/96/33/51/1065963351.db2.gz ZWMICAFNYJYAGT-UHFFFAOYSA-N 0 0 468.371 4.598 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccnc3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001360851131 1065963772 /nfs/dbraw/zinc/96/37/72/1065963772.db2.gz BVJZOUBCYPRDBV-UHFFFAOYSA-N 0 0 460.326 4.740 20 0 JJADRN Cc1nc(CCn2c(-c3ccccn3)nnc2N2CCC(C)=C(Br)C2)sc1C ZINC001360851162 1065963814 /nfs/dbraw/zinc/96/38/14/1065963814.db2.gz DIEMIUIRTRJROP-UHFFFAOYSA-N 0 0 459.417 4.535 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)O)CC1 ZINC001360851305 1065964166 /nfs/dbraw/zinc/96/41/66/1065964166.db2.gz GQXWXQBNXBYUQY-UHFFFAOYSA-N 0 0 465.461 4.925 20 0 JJADRN C[C@@H](C(=O)NCC(C)(C)Sc1ccc(Br)cc1)n1ccc(C(F)(F)F)n1 ZINC001360851269 1065964204 /nfs/dbraw/zinc/96/42/04/1065964204.db2.gz BYPDDPDKXKHRLF-NSHDSACASA-N 0 0 450.324 4.913 20 0 JJADRN Cc1ccsc1CCn1c(N2CCC(C)=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360851460 1065964691 /nfs/dbraw/zinc/96/46/91/1065964691.db2.gz KYYZGWKNQPPZIG-QFIPXVFZSA-N 0 0 495.487 4.810 20 0 JJADRN CO[C@@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC001440682858 1065965374 /nfs/dbraw/zinc/96/53/74/1065965374.db2.gz TVTAGKLISGRLLM-RUZDIDTESA-N 0 0 454.492 4.725 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C)CCOCC2)CC1 ZINC001360851666 1065965413 /nfs/dbraw/zinc/96/54/13/1065965413.db2.gz PAZSDEFDZIWHEN-UHFFFAOYSA-N 0 0 499.251 4.731 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)C2CC2)CC1 ZINC001360851827 1065965904 /nfs/dbraw/zinc/96/59/04/1065965904.db2.gz RUFXLFYJRYPTKI-NRFANRHFSA-N 0 0 483.357 4.587 20 0 JJADRN Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001360851825 1065966147 /nfs/dbraw/zinc/96/61/47/1065966147.db2.gz RTJMBQYCKKNVMQ-OAHLLOKOSA-N 0 0 453.331 4.557 20 0 JJADRN CC(C)(CNC(=O)c1c(C(F)F)nc2cnccn21)Sc1ccc(Br)cc1 ZINC001360851925 1065966431 /nfs/dbraw/zinc/96/64/31/1065966431.db2.gz NDQKKWOXJOIIFJ-UHFFFAOYSA-N 0 0 455.328 4.730 20 0 JJADRN Cc1cc(N2CCN(C(=O)/C=C\c3ccccc3OCc3ccccc3)CC2)nc(C(C)C)n1 ZINC001440687115 1065966761 /nfs/dbraw/zinc/96/67/61/1065966761.db2.gz NMXPGOONZFGZAK-YPKPFQOOSA-N 0 0 456.590 4.849 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc4cccnc43)n2CCCNC(=O)C(C)C)CC1 ZINC001360852008 1065966838 /nfs/dbraw/zinc/96/68/38/1065966838.db2.gz VGEHMNRGZRGCKH-UHFFFAOYSA-N 0 0 497.441 4.535 20 0 JJADRN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC001440700212 1065967342 /nfs/dbraw/zinc/96/73/42/1065967342.db2.gz ORCKCKMHDUBOIC-NRFANRHFSA-N 0 0 455.558 4.796 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001360852113 1065967556 /nfs/dbraw/zinc/96/75/56/1065967556.db2.gz YGBWRFPTZKSOAC-HNNXBMFYSA-N 0 0 488.817 4.974 20 0 JJADRN CN1CCC[C@H]1c1cc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)n[nH]1 ZINC001440703284 1065967958 /nfs/dbraw/zinc/96/79/58/1065967958.db2.gz FXSBWJGMTSVJAR-NRFANRHFSA-N 0 0 455.356 4.770 20 0 JJADRN COc1cccc2c(C(=O)Nc3ccc(COc4ccc(Br)cc4)cc3)cnn21 ZINC001440701669 1065968111 /nfs/dbraw/zinc/96/81/11/1065968111.db2.gz ACHJMJKVQUGLAT-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360853147 1065968305 /nfs/dbraw/zinc/96/83/05/1065968305.db2.gz FHKOZNNKSCWALT-HNNXBMFYSA-N 0 0 484.483 4.907 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N2CCCc3ccccc32)cc1 ZINC001360852967 1065968344 /nfs/dbraw/zinc/96/83/44/1065968344.db2.gz XKFLGWOGADITAK-UHFFFAOYSA-N 0 0 454.979 4.628 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360853409 1065969414 /nfs/dbraw/zinc/96/94/14/1065969414.db2.gz KJLOQMDXYIAXIK-HOTGVXAUSA-N 0 0 459.379 4.877 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)cs1 ZINC001360853369 1065969500 /nfs/dbraw/zinc/96/95/00/1065969500.db2.gz BMFSHRNWUYBBQY-UWJYYQICSA-N 0 0 494.503 4.964 20 0 JJADRN CCN1C[C@H](CN(C)C(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)Oc2ccccc21 ZINC001440711648 1065969554 /nfs/dbraw/zinc/96/95/54/1065969554.db2.gz RIKJLXJDRPROEM-MWLMUJSGSA-N 0 0 458.558 4.687 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N(C)CCOc2ccccc2C)[C@H]1c1ccc(OC)cc1 ZINC001440710998 1065969617 /nfs/dbraw/zinc/96/96/17/1065969617.db2.gz HUFNVEHAVFJJDM-ZEQKJWHPSA-N 0 0 452.595 4.621 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001360853459 1065969887 /nfs/dbraw/zinc/96/98/87/1065969887.db2.gz KUGYZGYFZYSOKF-GOSISDBHSA-N 0 0 453.331 4.725 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001360853470 1065970016 /nfs/dbraw/zinc/97/00/16/1065970016.db2.gz DZMLDDSSLJRQGE-UHFFFAOYSA-N 0 0 474.353 4.664 20 0 JJADRN CC1=C(Br)CN(c2nnc(C3CCC3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001360853650 1065970599 /nfs/dbraw/zinc/97/05/99/1065970599.db2.gz MRXLNXKICRSWCO-UHFFFAOYSA-N 0 0 453.331 4.782 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C)=C(Br)C2)n1 ZINC001360853794 1065970694 /nfs/dbraw/zinc/97/06/94/1065970694.db2.gz KDMGKQFNKZVOJS-HNNXBMFYSA-N 0 0 473.444 4.712 20 0 JJADRN CN(CCOc1cccc(Cl)c1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440715071 1065970932 /nfs/dbraw/zinc/97/09/32/1065970932.db2.gz TUSNQKUMXNMJGR-IBGZPJMESA-N 0 0 458.889 4.627 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2CCCc2ccccc2)CC1 ZINC001360853930 1065971591 /nfs/dbraw/zinc/97/15/91/1065971591.db2.gz MUTFRWUOWVLUOF-UHFFFAOYSA-N 0 0 452.400 4.776 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2Br)CC1 ZINC001360854078 1065972004 /nfs/dbraw/zinc/97/20/04/1065972004.db2.gz SAQZEAWVIUBBSS-INIZCTEOSA-N 0 0 496.247 4.862 20 0 JJADRN Cc1ccc(NC(=O)Cc2c(F)cccc2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440735446 1065972601 /nfs/dbraw/zinc/97/26/01/1065972601.db2.gz SFUVGDWOSXKGEU-UHFFFAOYSA-N 0 0 450.894 4.909 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2cccs2)CC1 ZINC001360854167 1065972759 /nfs/dbraw/zinc/97/27/59/1065972759.db2.gz SXAYUZRTCFSECQ-HNNXBMFYSA-N 0 0 451.434 4.700 20 0 JJADRN Nc1c(Cl)c(Cl)ccc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001440735202 1065972710 /nfs/dbraw/zinc/97/27/10/1065972710.db2.gz ARMGFHNBXNLIRK-UHFFFAOYSA-N 0 0 454.310 4.768 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cs2)cc1 ZINC001440736594 1065973362 /nfs/dbraw/zinc/97/33/62/1065973362.db2.gz DTDUCIHCDILGEU-KRWDZBQOSA-N 0 0 457.596 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@](C)(O)CCC(C)C)cs1 ZINC001360854556 1065974063 /nfs/dbraw/zinc/97/40/63/1065974063.db2.gz ZHFROBMHIABKOY-OAQYLSRUSA-N 0 0 482.492 4.700 20 0 JJADRN COc1cc(CNC(=O)c2c3c(sc2NC(=O)c2ccco2)CCC3)ccc1OC(C)C ZINC001440743749 1065974263 /nfs/dbraw/zinc/97/42/63/1065974263.db2.gz FOUPBXOOXRBNLR-UHFFFAOYSA-N 0 0 454.548 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001440742432 1065974293 /nfs/dbraw/zinc/97/42/93/1065974293.db2.gz FREDSNXFEMQMJE-JOCHJYFZSA-N 0 0 458.562 4.850 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1 ZINC001440745473 1065975394 /nfs/dbraw/zinc/97/53/94/1065975394.db2.gz JMFGVZBUUHZGPL-UHFFFAOYSA-N 0 0 451.567 4.647 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2CCCO2)c1 ZINC001360857652 1065975647 /nfs/dbraw/zinc/97/56/47/1065975647.db2.gz HMOUZGUTTBAHIZ-GOSISDBHSA-N 0 0 461.404 4.532 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360857776 1065976217 /nfs/dbraw/zinc/97/62/17/1065976217.db2.gz MEYKFKOXEDPFOU-SIKLNZKXSA-N 0 0 471.646 4.543 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C)=C(Br)C2)cn1 ZINC001360857824 1065976225 /nfs/dbraw/zinc/97/62/25/1065976225.db2.gz NVWQPWGPCVABHW-UYAOXDASSA-N 0 0 474.447 4.827 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001440754217 1065976276 /nfs/dbraw/zinc/97/62/76/1065976276.db2.gz PPTNZIOVWTXPDU-UHFFFAOYSA-N 0 0 453.494 4.789 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2CCc2cc(F)cc(F)c2)n1 ZINC001360857890 1065976384 /nfs/dbraw/zinc/97/63/84/1065976384.db2.gz PYIDHDMVDITFPT-UHFFFAOYSA-N 0 0 491.384 4.540 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2C[C@]2(C)CCCO2)cc1 ZINC001360857956 1065976811 /nfs/dbraw/zinc/97/68/11/1065976811.db2.gz SCBWHBOFZRWVJI-QFIPXVFZSA-N 0 0 461.404 4.614 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001360858047 1065976905 /nfs/dbraw/zinc/97/69/05/1065976905.db2.gz WSZTXDNOPKTFBS-AJYBTWMASA-N 0 0 481.479 4.627 20 0 JJADRN COC[C@@]1(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CCCCN1C(=O)OC(C)(C)C ZINC001440760314 1065977023 /nfs/dbraw/zinc/97/70/23/1065977023.db2.gz UCDHQZPDVAYRQM-AREMUKBSSA-N 0 0 453.583 4.590 20 0 JJADRN CC(C)c1nc2cc(NC(=O)[C@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2o1 ZINC001440758339 1065977038 /nfs/dbraw/zinc/97/70/38/1065977038.db2.gz YFDXJJCBPJUUPF-GOSISDBHSA-N 0 0 456.340 4.843 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC001440758036 1065977198 /nfs/dbraw/zinc/97/71/98/1065977198.db2.gz WBZLAMKHGIJCDC-HSZRJFAPSA-N 0 0 455.396 4.856 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360858147 1065977405 /nfs/dbraw/zinc/97/74/05/1065977405.db2.gz AILUXXGBKBKDRF-IBGZPJMESA-N 0 0 455.990 4.802 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCc2nccnc2C)c1 ZINC001360858061 1065977411 /nfs/dbraw/zinc/97/74/11/1065977411.db2.gz XJCRZSGGVKBKGH-UHFFFAOYSA-N 0 0 497.441 4.694 20 0 JJADRN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(CCc2ccccc2)CC1 ZINC001440762723 1065977491 /nfs/dbraw/zinc/97/74/91/1065977491.db2.gz FOXGLYRPRVYVDA-UHFFFAOYSA-N 0 0 459.537 4.758 20 0 JJADRN CCCc1ccccc1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 ZINC001440772507 1065978225 /nfs/dbraw/zinc/97/82/25/1065978225.db2.gz FRXYLZOANJVURV-HSZRJFAPSA-N 0 0 456.633 4.831 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@H]1C ZINC001360858585 1065978241 /nfs/dbraw/zinc/97/82/41/1065978241.db2.gz OZSPFIDTCGOJAF-BWAGFHJFSA-N 0 0 479.625 4.991 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001360858840 1065978544 /nfs/dbraw/zinc/97/85/44/1065978544.db2.gz XZCAUIBMESNHDX-IYBDPMFKSA-N 0 0 492.020 4.789 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCC(C)(C)C2CC2)CC1 ZINC001360858852 1065978567 /nfs/dbraw/zinc/97/85/67/1065978567.db2.gz YSRMVMICTOJFQI-UHFFFAOYSA-N 0 0 455.647 4.993 20 0 JJADRN C[C@@H](CNC(=O)CCc1ccc(Br)cc1F)Oc1ccc(Br)cc1 ZINC001360858967 1065978685 /nfs/dbraw/zinc/97/86/85/1065978685.db2.gz CAKASFMJVVPTGH-LBPRGKRZSA-N 0 0 459.153 4.867 20 0 JJADRN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)c1 ZINC001440789602 1065979298 /nfs/dbraw/zinc/97/92/98/1065979298.db2.gz BGZXAKXXIZFVEL-QHCPKHFHSA-N 0 0 454.567 4.918 20 0 JJADRN COc1cccc([C@H]2CCCN2C(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)c1 ZINC001440789599 1065979309 /nfs/dbraw/zinc/97/93/09/1065979309.db2.gz BGZXAKXXIZFVEL-HSZRJFAPSA-N 0 0 454.567 4.918 20 0 JJADRN COc1cccc([C@@H]2CCCN2C(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001440789775 1065979336 /nfs/dbraw/zinc/97/93/36/1065979336.db2.gz CNTLCDOQLXAYGK-QFIPXVFZSA-N 0 0 452.551 4.802 20 0 JJADRN O=C(Nc1sc2c(c1C(=O)NCc1ccc(OC(F)(F)F)cc1)CCC2)c1ccco1 ZINC001440790517 1065979523 /nfs/dbraw/zinc/97/95/23/1065979523.db2.gz YWQYQRDZMFVXNT-UHFFFAOYSA-N 0 0 450.438 4.911 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001360861609 1065979525 /nfs/dbraw/zinc/97/95/25/1065979525.db2.gz OHMCGTJKONNTKX-UHFFFAOYSA-N 0 0 492.668 4.532 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCCCO)c1C ZINC001360862157 1065979750 /nfs/dbraw/zinc/97/97/50/1065979750.db2.gz HBHTYXZGWWWXBJ-SFHVURJKSA-N 0 0 495.693 4.986 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001360861862 1065979812 /nfs/dbraw/zinc/97/98/12/1065979812.db2.gz XKOJHYSPTUJPDD-RXVVDRJESA-N 0 0 469.561 4.578 20 0 JJADRN C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440814352 1065980330 /nfs/dbraw/zinc/98/03/30/1065980330.db2.gz ABDDNOCFAWLTBU-IERDGZPVSA-N 0 0 459.974 4.639 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1C(C)(C)C ZINC001360862247 1065980350 /nfs/dbraw/zinc/98/03/50/1065980350.db2.gz KJGWOZMYVVCXIS-HXUWFJFHSA-N 0 0 486.016 4.528 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Cl)cc1 ZINC001440821068 1065980761 /nfs/dbraw/zinc/98/07/61/1065980761.db2.gz BXUKTYLRNOBEND-BDTNDASRSA-N 0 0 451.954 4.745 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cs1 ZINC001440818829 1065980904 /nfs/dbraw/zinc/98/09/04/1065980904.db2.gz OOZIVSYRAZQNLB-KBXCAEBGSA-N 0 0 455.584 4.593 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360862610 1065981451 /nfs/dbraw/zinc/98/14/51/1065981451.db2.gz UDKHTNPSCTZZIM-UHFFFAOYSA-N 0 0 489.542 4.786 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1)c1ccccc1 ZINC001360863479 1065982231 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YEYMHBKEYXWIJJ-UHFFFAOYSA-N 0 0 456.467 4.938 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCOC2CCCC2)c1C ZINC001360864701 1065983310 /nfs/dbraw/zinc/98/33/10/1065983310.db2.gz GDBJAJRSPJCZPD-UHFFFAOYSA-N 0 0 453.631 4.977 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001440862806 1065984344 /nfs/dbraw/zinc/98/43/44/1065984344.db2.gz NXUVPPOYFDJNTB-AWEZNQCLSA-N 0 0 451.796 4.749 20 0 JJADRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1 ZINC001440865145 1065984715 /nfs/dbraw/zinc/98/47/15/1065984715.db2.gz DXXXYFGUCVGFPN-UHFFFAOYSA-N 0 0 455.917 4.910 20 0 JJADRN CC(C)(C)NC(=O)c1ccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001440864060 1065984987 /nfs/dbraw/zinc/98/49/87/1065984987.db2.gz AJUFXZKOXBQSBJ-UHFFFAOYSA-N 0 0 456.612 4.979 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)no2)cc1 ZINC001440866051 1065985310 /nfs/dbraw/zinc/98/53/10/1065985310.db2.gz IUVHCYHMMZKFDL-UHFFFAOYSA-N 0 0 458.543 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)on2)CC1 ZINC001440869056 1065985730 /nfs/dbraw/zinc/98/57/30/1065985730.db2.gz GYSCYARSZFMQDO-UHFFFAOYSA-N 0 0 455.433 4.940 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3sc(C)cc3OCc3ccccc3)CC2)cc1 ZINC001440869583 1065986230 /nfs/dbraw/zinc/98/62/30/1065986230.db2.gz DGGQYCUWKOHRHO-UHFFFAOYSA-N 0 0 450.604 4.992 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4cc(C)ccc43)ccc2C)cc1 ZINC001440878455 1065988190 /nfs/dbraw/zinc/98/81/90/1065988190.db2.gz CVRQYEPEHOEREO-UHFFFAOYSA-N 0 0 450.560 4.706 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCOC2CCCCCC2)c1C ZINC001360866316 1065988505 /nfs/dbraw/zinc/98/85/05/1065988505.db2.gz QTLJSMFHMCYXBG-FGZHOGPDSA-N 0 0 456.631 4.999 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC001440881363 1065988823 /nfs/dbraw/zinc/98/88/23/1065988823.db2.gz WEBRGFJKJNGMHP-WOJBJXKFSA-N 0 0 451.567 4.639 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360866501 1065988965 /nfs/dbraw/zinc/98/89/65/1065988965.db2.gz UIXQAJZRNLNNOR-WOJBJXKFSA-N 0 0 465.598 4.871 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)nc2)c1C ZINC001360866569 1065989026 /nfs/dbraw/zinc/98/90/26/1065989026.db2.gz VTNVYYNOYJAGGX-KRWDZBQOSA-N 0 0 462.520 4.543 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccoc1C ZINC001360866597 1065989102 /nfs/dbraw/zinc/98/91/02/1065989102.db2.gz WDNSFUOSKODHDW-GOSISDBHSA-N 0 0 452.584 4.781 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)c2cccs2)cnn1C ZINC001360866584 1065989152 /nfs/dbraw/zinc/98/91/52/1065989152.db2.gz VYSJMLWGJKCFJG-FQRUVTKNSA-N 0 0 494.665 4.682 20 0 JJADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nscc1I ZINC001440883520 1065989064 /nfs/dbraw/zinc/98/90/64/1065989064.db2.gz UFKOISYFFBOLOK-UHFFFAOYSA-N 0 0 456.227 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC001440883581 1065989212 /nfs/dbraw/zinc/98/92/12/1065989212.db2.gz KRHGZBOKGIFXLJ-RDPSFJRHSA-N 0 0 450.535 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1C[C@H](C)Sc1ccccc1 ZINC001545936547 1065989745 /nfs/dbraw/zinc/98/97/45/1065989745.db2.gz OGKIQVAYSWSQSD-IBGZPJMESA-N 0 0 471.671 4.527 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001440885039 1065989972 /nfs/dbraw/zinc/98/99/72/1065989972.db2.gz PYGNPZYZCAGDMG-IZZNHLLZSA-N 0 0 458.558 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCO[C@H]1CCCC[C@H]1C ZINC001545936458 1065989995 /nfs/dbraw/zinc/98/99/95/1065989995.db2.gz LVSGGWATCOMOEP-GGAORHGYSA-N 0 0 489.705 4.721 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCC1 ZINC001360866719 1065990202 /nfs/dbraw/zinc/99/02/02/1065990202.db2.gz XZPYZWXZFGFVMW-LJQANCHMSA-N 0 0 455.628 4.741 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1C[C@H](C)c1ccc(C)cc1 ZINC001545936555 1065990591 /nfs/dbraw/zinc/99/05/91/1065990591.db2.gz OIENZPBYQCSVCD-NZQKXSOJSA-N 0 0 467.658 4.562 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360868233 1065991297 /nfs/dbraw/zinc/99/12/97/1065991297.db2.gz YZSWEBZMITUKOF-NRFANRHFSA-N 0 0 458.400 4.696 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001440895871 1065991468 /nfs/dbraw/zinc/99/14/68/1065991468.db2.gz BHZHRRDUXNRQCT-XMMPIXPASA-N 0 0 456.543 4.720 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2ccnc(Br)c2)c2c[nH]c3ccccc32)cc1 ZINC001440896415 1065991488 /nfs/dbraw/zinc/99/14/88/1065991488.db2.gz UBSVTENGBAQGCO-IBGZPJMESA-N 0 0 450.336 4.896 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCCO2)c1C ZINC001360868363 1065991733 /nfs/dbraw/zinc/99/17/33/1065991733.db2.gz CHICVQDWPOPGTD-IRLDBZIGSA-N 0 0 464.614 4.764 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC3(C2)OCCO3)c1C ZINC001360868426 1065992073 /nfs/dbraw/zinc/99/20/73/1065992073.db2.gz DXFNSLZTNQPFRX-MOPGFXCFSA-N 0 0 482.547 4.967 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3nccs3)n2CC[C@@H]2CCOC2)c1C ZINC001360868444 1065992102 /nfs/dbraw/zinc/99/21/02/1065992102.db2.gz FGWBEHYFVBNZCV-VQTJNVASSA-N 0 0 455.628 4.597 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2CC[C@@H]2CCOC2)c1C ZINC001360868445 1065992121 /nfs/dbraw/zinc/99/21/21/1065992121.db2.gz FGWBEHYFVBNZCV-WOJBJXKFSA-N 0 0 455.628 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC001440899407 1065992350 /nfs/dbraw/zinc/99/23/50/1065992350.db2.gz ZBOXAPRCASPAEJ-JOCHJYFZSA-N 0 0 452.599 4.590 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)nc1C ZINC001440899345 1065992394 /nfs/dbraw/zinc/99/23/94/1065992394.db2.gz YQECAKXTMKCNFY-JOCHJYFZSA-N 0 0 457.530 4.619 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCC(F)(F)F)cnn1C ZINC001360868544 1065992730 /nfs/dbraw/zinc/99/27/30/1065992730.db2.gz HJYNKFBLHCZXFT-KRWDZBQOSA-N 0 0 450.509 4.514 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCn3cccn3)n2CCCC(F)(F)F)c1C ZINC001360868767 1065993913 /nfs/dbraw/zinc/99/39/13/1065993913.db2.gz JSHXAVMUCUREMO-SFHVURJKSA-N 0 0 450.509 4.710 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440922204 1065994341 /nfs/dbraw/zinc/99/43/41/1065994341.db2.gz NQLNBKNBSNMOOU-WRDGEJPTSA-N 0 0 458.967 4.659 20 0 JJADRN Cc1sc(NC(=O)c2cc(=O)[nH]cc2Br)nc1-c1ccc(OC(F)F)cc1 ZINC001440924226 1065994535 /nfs/dbraw/zinc/99/45/35/1065994535.db2.gz NJRYTDKPUWBXIG-UHFFFAOYSA-N 0 0 456.268 4.835 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncnn3CC(F)F)n2CC2CCCC2)c1C ZINC001360868880 1065994845 /nfs/dbraw/zinc/99/48/45/1065994845.db2.gz LBOYRIUMROCOSI-SFHVURJKSA-N 0 0 473.572 4.718 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360868960 1065994917 /nfs/dbraw/zinc/99/49/17/1065994917.db2.gz CWSXFEFECFANFI-RBBKRZOGSA-N 0 0 497.684 4.830 20 0 JJADRN COc1ccc(CN(C)C(=O)c2ccccc2CSC2=NCCS2)cc1OC(F)F ZINC001440925815 1065994980 /nfs/dbraw/zinc/99/49/80/1065994980.db2.gz IUEUNSJJAMRFPP-UHFFFAOYSA-N 0 0 452.548 4.905 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001440927679 1065995277 /nfs/dbraw/zinc/99/52/77/1065995277.db2.gz DZCJWXQODJZOLP-MHECFPHRSA-N 0 0 456.652 4.583 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001440933960 1065995347 /nfs/dbraw/zinc/99/53/47/1065995347.db2.gz NKZPVEVYPUSTOO-XNMGPUDCSA-N 0 0 451.526 4.554 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1C ZINC001360869020 1065995449 /nfs/dbraw/zinc/99/54/49/1065995449.db2.gz LTLUQYDMDIFEKQ-CUYJMHBOSA-N 0 0 480.657 4.819 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@](C)(O)c2cccs2)c1C ZINC001360869009 1065995508 /nfs/dbraw/zinc/99/55/08/1065995508.db2.gz DASASTYFDWWQRE-DFIYOIEZSA-N 0 0 470.639 4.619 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001440927677 1065995527 /nfs/dbraw/zinc/99/55/27/1065995527.db2.gz DZCJWXQODJZOLP-HOYKHHGWSA-N 0 0 456.652 4.583 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360869094 1065995831 /nfs/dbraw/zinc/99/58/31/1065995831.db2.gz FAAUAQOWNGQTPQ-UNMCSNQZSA-N 0 0 497.684 4.830 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)F)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360869171 1065996406 /nfs/dbraw/zinc/99/64/06/1065996406.db2.gz MOLLOXQSSVEUEA-IBGZPJMESA-N 0 0 477.600 4.917 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360869133 1065996421 /nfs/dbraw/zinc/99/64/21/1065996421.db2.gz FDRMNLCEODHGHH-HLLQZAQXSA-N 0 0 493.530 4.844 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2Cc2ccc(F)cn2)c1C ZINC001360869190 1065996434 /nfs/dbraw/zinc/99/64/34/1065996434.db2.gz MQOVTKDCFULXIH-GOSISDBHSA-N 0 0 466.586 4.753 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCN2CCOC2=O)c1C ZINC001360869230 1065996509 /nfs/dbraw/zinc/99/65/09/1065996509.db2.gz FXPIWGDMFZGTGY-GHTZIAJQSA-N 0 0 469.630 4.750 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001440953679 1065996695 /nfs/dbraw/zinc/99/66/95/1065996695.db2.gz FCEKJWYNZDVMBT-UHFFFAOYSA-N 0 0 450.283 4.698 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N(Cc1cccnc1)C1CC1 ZINC001440954792 1065996739 /nfs/dbraw/zinc/99/67/39/1065996739.db2.gz MCKCLUSNZXBVPO-UHFFFAOYSA-N 0 0 456.612 4.766 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCN2CCOC2=O)c1C ZINC001360869238 1065997202 /nfs/dbraw/zinc/99/72/02/1065997202.db2.gz FXPIWGDMFZGTGY-WIYYLYMNSA-N 0 0 469.630 4.750 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CCO[C@@H](c3ccccc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001440967439 1065997744 /nfs/dbraw/zinc/99/77/44/1065997744.db2.gz LZMGDUHNWXNMDF-WOJBJXKFSA-N 0 0 459.974 4.599 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccsc3)n2CCCN2CCOC2=O)c1C ZINC001360869378 1065997694 /nfs/dbraw/zinc/99/76/94/1065997694.db2.gz OMHOHFQJIJLLJC-IBGZPJMESA-N 0 0 469.611 4.575 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H]2CCC(=O)N2)c1C ZINC001360869554 1065998070 /nfs/dbraw/zinc/99/80/70/1065998070.db2.gz IEOYOJSJRWINLD-TUNNFDKTSA-N 0 0 453.631 4.719 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCOC2)c1C ZINC001360869493 1065998172 /nfs/dbraw/zinc/99/81/72/1065998172.db2.gz HXWDHMAKLAYYET-KHCICDEESA-N 0 0 496.574 4.601 20 0 JJADRN CCO[C@@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)C(C)C ZINC001440974406 1065998232 /nfs/dbraw/zinc/99/82/32/1065998232.db2.gz YMNUOWAPMSFRNM-SLHXSTLSSA-N 0 0 459.395 4.597 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC001440973144 1065998418 /nfs/dbraw/zinc/99/84/18/1065998418.db2.gz VSHFZNFBTZFKCL-KRWDZBQOSA-N 0 0 453.587 4.706 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCC[C@@H](O)C2)c1C ZINC001360869580 1065998520 /nfs/dbraw/zinc/99/85/20/1065998520.db2.gz ITVUXEGTPFTQNU-BHIFYINESA-N 0 0 458.647 4.837 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)CCOCC1 ZINC001545937200 1065999136 /nfs/dbraw/zinc/99/91/36/1065999136.db2.gz GOSQVTIUKLQMIS-GMAHTHKFSA-N 0 0 458.643 4.958 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2Cc2nccn2C(F)F)c1C ZINC001360869864 1065999334 /nfs/dbraw/zinc/99/93/34/1065999334.db2.gz RECNAOPMAICHMR-RBUKOAKNSA-N 0 0 474.556 4.538 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCC3)n2CCC(=O)N2CCCCC2)c1C ZINC001360869894 1066000159 /nfs/dbraw/zinc/00/01/59/1066000159.db2.gz RSSXOHUEMDTNFZ-NRFANRHFSA-N 0 0 453.631 4.674 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CCc2ccncc2)c1C ZINC001360869941 1066000295 /nfs/dbraw/zinc/00/02/95/1066000295.db2.gz SKJIHULCIJHZTO-QFIPXVFZSA-N 0 0 463.626 4.926 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCO[C@@H](C)C2)c1C ZINC001360870018 1066000673 /nfs/dbraw/zinc/00/06/73/1066000673.db2.gz LWOKETGPPDIRRZ-JITRPMOWSA-N 0 0 456.631 4.854 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)CC2)c1 ZINC001441017251 1066000869 /nfs/dbraw/zinc/00/08/69/1066000869.db2.gz HVIISCLOLRPPBZ-QGZVFWFLSA-N 0 0 450.501 4.561 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)c1C ZINC001360870152 1066001045 /nfs/dbraw/zinc/00/10/45/1066001045.db2.gz VRCBSZFGZTYCFE-RPWUZVMVSA-N 0 0 497.684 4.690 20 0 JJADRN COc1ccc(F)c2[nH]c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC001441020327 1066001248 /nfs/dbraw/zinc/00/12/48/1066001248.db2.gz ZQDKUNXPGKYUKH-UHFFFAOYSA-N 0 0 457.811 4.699 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441027627 1066001702 /nfs/dbraw/zinc/00/17/02/1066001702.db2.gz NFLGPMDPHRTAPF-WZONZLPQSA-N 0 0 456.583 4.954 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001441025143 1066001850 /nfs/dbraw/zinc/00/18/50/1066001850.db2.gz HGXOZRNKKDMRSY-RDPSFJRHSA-N 0 0 456.945 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC001441028937 1066001859 /nfs/dbraw/zinc/00/18/59/1066001859.db2.gz NZAMSNWNJKCKQK-ILBGXUMGSA-N 0 0 462.590 4.734 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(SC(F)(F)F)o1)c1ccc(Br)cc1 ZINC001441029755 1066002153 /nfs/dbraw/zinc/00/21/53/1066002153.db2.gz OCQBNQLTPRQLRL-NSHDSACASA-N 0 0 452.248 4.688 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)CC2)c1 ZINC001441039425 1066002573 /nfs/dbraw/zinc/00/25/73/1066002573.db2.gz FMCJOXDBZQMOBP-HSZRJFAPSA-N 0 0 456.586 4.728 20 0 JJADRN COc1cc(CNC(=O)c2ccn3cc(C(F)(F)F)nc3c2)ccc1OCc1ccccc1 ZINC001441035277 1066002616 /nfs/dbraw/zinc/00/26/16/1066002616.db2.gz VDQYXNPCQRECKC-UHFFFAOYSA-N 0 0 455.436 4.871 20 0 JJADRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(Br)c(Br)[nH]1 ZINC001441045496 1066003631 /nfs/dbraw/zinc/00/36/31/1066003631.db2.gz JUZXXEPODAHHAT-UHFFFAOYSA-N 0 0 450.514 4.607 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CCCN(C(=O)c3cccc(F)c3)CC1)ccc2Br ZINC001441048464 1066003930 /nfs/dbraw/zinc/00/39/30/1066003930.db2.gz SQJDZYILUBDXRH-UHFFFAOYSA-N 0 0 459.315 4.631 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)C)c1C ZINC001360871002 1066004313 /nfs/dbraw/zinc/00/43/13/1066004313.db2.gz SJOXTEUPOKIVGW-RXVVDRJESA-N 0 0 455.647 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H]2NC(=O)CC2(C)C)c1C ZINC001360871012 1066004330 /nfs/dbraw/zinc/00/43/30/1066004330.db2.gz SOWGBJNVQUDMNE-BUBGKSFDSA-N 0 0 453.631 4.574 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC(=O)N2CCOCC2)c1C ZINC001360871350 1066004814 /nfs/dbraw/zinc/00/48/14/1066004814.db2.gz WKXADJMKBWERBH-XZOQPEGZSA-N 0 0 497.684 4.689 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360871405 1066005191 /nfs/dbraw/zinc/00/51/91/1066005191.db2.gz OVMNYCHPYWFESW-IVZQSRNASA-N 0 0 456.384 4.667 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360871406 1066005259 /nfs/dbraw/zinc/00/52/59/1066005259.db2.gz OVMNYCHPYWFESW-NYHFZMIOSA-N 0 0 456.384 4.667 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360871441 1066005286 /nfs/dbraw/zinc/00/52/86/1066005286.db2.gz WWVGNWFZYSCVQY-NQIIRXRSSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC2CCCC2)c1C ZINC001360871600 1066005528 /nfs/dbraw/zinc/00/55/28/1066005528.db2.gz XYPJPWODVVYTPI-TZIWHRDSSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCNC(=O)c2cccs2)c1C ZINC001360871601 1066005577 /nfs/dbraw/zinc/00/55/77/1066005577.db2.gz YCUULVOEPIIBGX-CMKODMSKSA-N 0 0 467.639 4.619 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC001441070233 1066005650 /nfs/dbraw/zinc/00/56/50/1066005650.db2.gz XGVNLTNQGYTFQR-UHFFFAOYSA-N 0 0 452.624 4.805 20 0 JJADRN Cc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1S(=O)(=O)NC(C)(C)C ZINC001360871919 1066005965 /nfs/dbraw/zinc/00/59/65/1066005965.db2.gz AIAVSXNBNJEBER-HSZRJFAPSA-N 0 0 452.576 4.831 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001441077752 1066006236 /nfs/dbraw/zinc/00/62/36/1066006236.db2.gz MAAZCBXDWISMGB-HXUWFJFHSA-N 0 0 451.281 4.913 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1ccc(O[C@@H]3CCOC3)cc1)N2C(=O)OC(C)(C)C ZINC001360871937 1066006470 /nfs/dbraw/zinc/00/64/70/1066006470.db2.gz AQJMZKCJCBAENX-GCJKJVERSA-N 0 0 456.514 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001441091627 1066006948 /nfs/dbraw/zinc/00/69/48/1066006948.db2.gz ARYHSKDIFNSYGT-HXUWFJFHSA-N 0 0 452.555 4.698 20 0 JJADRN C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001441099830 1066007395 /nfs/dbraw/zinc/00/73/95/1066007395.db2.gz GUVFJULGTZLVRO-PEZBUJJGSA-N 0 0 457.361 4.791 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)c1cccc(OCc3ccc(Cl)cc3)c1)C[C@H]2O ZINC001441106296 1066007895 /nfs/dbraw/zinc/00/78/95/1066007895.db2.gz CKJXXCMMWQDOPR-OAQYLSRUSA-N 0 0 453.922 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001545938462 1066007946 /nfs/dbraw/zinc/00/79/46/1066007946.db2.gz VUJUHOQFQPLFNK-NRFANRHFSA-N 0 0 455.672 4.722 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOCCC(C)C)c1C ZINC001360873146 1066007973 /nfs/dbraw/zinc/00/79/73/1066007973.db2.gz CLBSTYWBUHHOQB-QHCPKHFHSA-N 0 0 497.684 4.546 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](c4ccco4)C3)n2CCC(=O)NC(C)C)c1C ZINC001360873073 1066008044 /nfs/dbraw/zinc/00/80/44/1066008044.db2.gz DYDFIJPWOMZSCU-SFTDATJTSA-N 0 0 465.598 4.537 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCCNC(=O)C2CCC2)c1C ZINC001360873368 1066008830 /nfs/dbraw/zinc/00/88/30/1066008830.db2.gz DKJOACKFIKODLP-RXVVDRJESA-N 0 0 453.631 4.578 20 0 JJADRN CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001441119064 1066008817 /nfs/dbraw/zinc/00/88/17/1066008817.db2.gz KKXPYLMPIIFXBF-QHCPKHFHSA-N 0 0 453.945 4.654 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 ZINC001441116234 1066008834 /nfs/dbraw/zinc/00/88/34/1066008834.db2.gz HAWHXEYEIHCFFR-FQEVSTJZSA-N 0 0 453.480 4.861 20 0 JJADRN O=C(NCc1c(F)cccc1Cl)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001441117179 1066008845 /nfs/dbraw/zinc/00/88/45/1066008845.db2.gz NITHMHSOUSCCKK-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2CCCC2)c1C ZINC001360873490 1066009242 /nfs/dbraw/zinc/00/92/42/1066009242.db2.gz HWQZYMMJJBUANO-FQEVSTJZSA-N 0 0 453.631 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C[C@@H]1[C@H]1CCCO1 ZINC001441123383 1066009735 /nfs/dbraw/zinc/00/97/35/1066009735.db2.gz FEPIWMOTZQLZLB-GDIGMMSISA-N 0 0 457.398 4.804 20 0 JJADRN C=CC(=O)N1CCC(C(=O)N(CC)Cc2cccc(Br)c2)(c2ccccc2)CC1 ZINC001441138215 1066010237 /nfs/dbraw/zinc/01/02/37/1066010237.db2.gz QPORRKKWRNLCIZ-UHFFFAOYSA-N 0 0 455.396 4.544 20 0 JJADRN CCN(Cc1ccccc1Cl)C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001441150545 1066010619 /nfs/dbraw/zinc/01/06/19/1066010619.db2.gz KRFRXDVXVKVKBP-XMMPIXPASA-N 0 0 451.007 4.621 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](C)CN2CCOCC2)c1C ZINC001360873967 1066011395 /nfs/dbraw/zinc/01/13/95/1066011395.db2.gz IVLRUSBSOJQYNZ-HUVFLSCGSA-N 0 0 469.674 4.628 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2CC(=O)NC(C)C)c1C ZINC001360874030 1066011842 /nfs/dbraw/zinc/01/18/42/1066011842.db2.gz JVQNOYJAIKBBEY-BHIFYINESA-N 0 0 453.631 4.576 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(C)[C@H](C)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001441180036 1066012116 /nfs/dbraw/zinc/01/21/16/1066012116.db2.gz SMKQCMDTEKPXDA-MRXNPFEDSA-N 0 0 450.482 4.886 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(C)[C@@H](C)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001441180031 1066012143 /nfs/dbraw/zinc/01/21/43/1066012143.db2.gz SMKQCMDTEKPXDA-INIZCTEOSA-N 0 0 450.482 4.886 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360874263 1066012607 /nfs/dbraw/zinc/01/26/07/1066012607.db2.gz NKMHGEUUJYOMID-UNMCSNQZSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874389 1066013442 /nfs/dbraw/zinc/01/34/42/1066013442.db2.gz MECCOZUSFNHMTQ-FPOVZHCZSA-N 0 0 499.656 4.517 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H]2CCCCS2(=O)=O)c1C ZINC001360874431 1066013474 /nfs/dbraw/zinc/01/34/74/1066013474.db2.gz MUMMPOZINPZWIB-BHIFYINESA-N 0 0 474.671 4.627 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1C ZINC001360874430 1066013547 /nfs/dbraw/zinc/01/35/47/1066013547.db2.gz MUKFPFNDTAUIPM-RTBURBONSA-N 0 0 451.537 4.519 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H]2CCCCS2(=O)=O)c1C ZINC001360874432 1066013559 /nfs/dbraw/zinc/01/35/59/1066013559.db2.gz MUMMPOZINPZWIB-FSSWDIPSSA-N 0 0 474.671 4.627 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(N(CC)CC(C)C)n2)cc1Cl ZINC001441189765 1066013554 /nfs/dbraw/zinc/01/35/54/1066013554.db2.gz SZINKFWZZHWMLO-UHFFFAOYSA-N 0 0 451.036 4.942 20 0 JJADRN CCN(Cc1cccc(NC(=O)Cc2ccccc2O[C@@H]2CCOC2)c1)C(=O)OC(C)(C)C ZINC001441188816 1066013638 /nfs/dbraw/zinc/01/36/38/1066013638.db2.gz QISHPDVZEMXHFA-JOCHJYFZSA-N 0 0 454.567 4.793 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360874488 1066013778 /nfs/dbraw/zinc/01/37/78/1066013778.db2.gz PRRIMFCCGHZLON-XLIONFOSSA-N 0 0 457.619 4.796 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192228 1066013884 /nfs/dbraw/zinc/01/38/84/1066013884.db2.gz XKWXGZKEUHKVQF-QHCPKHFHSA-N 0 0 452.599 4.832 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360874489 1066014034 /nfs/dbraw/zinc/01/40/34/1066014034.db2.gz PRRIMFCCGHZLON-YLJYHZDGSA-N 0 0 457.619 4.796 20 0 JJADRN COc1ccc(C(NC(=O)c2cc(Br)cc(C=O)c2)c2ccc(OC)cc2)cc1 ZINC001441196898 1066014546 /nfs/dbraw/zinc/01/45/46/1066014546.db2.gz SCUJDXPUPVJANO-UHFFFAOYSA-N 0 0 454.320 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC001441204483 1066015198 /nfs/dbraw/zinc/01/51/98/1066015198.db2.gz NEJKPHQQGFQCRZ-JCTQEILZSA-N 0 0 458.443 4.659 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCC(=O)N(C)C)c1C ZINC001360874996 1066015872 /nfs/dbraw/zinc/01/58/72/1066015872.db2.gz WDRXBFFDOJBLOM-NRFANRHFSA-N 0 0 485.673 4.687 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2C[C@H]2C)c1C ZINC001360874919 1066015947 /nfs/dbraw/zinc/01/59/47/1066015947.db2.gz PIAXRVDWNBDJHD-YJMBLLCNSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1C ZINC001360874920 1066015958 /nfs/dbraw/zinc/01/59/58/1066015958.db2.gz PIIBUKXWUCVXSM-GHTZIAJQSA-N 0 0 476.687 4.875 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)c(C)c1 ZINC001441219358 1066016384 /nfs/dbraw/zinc/01/63/84/1066016384.db2.gz JAQDOXSPHVXRDL-UHFFFAOYSA-N 0 0 453.336 4.954 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)c1C ZINC001360875077 1066016430 /nfs/dbraw/zinc/01/64/30/1066016430.db2.gz PTFOJNGZRZAEPJ-SFTDATJTSA-N 0 0 491.627 4.770 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC=C(Br)C3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360875079 1066016466 /nfs/dbraw/zinc/01/64/66/1066016466.db2.gz PXCVBFZCQLNCSN-FUHWJXTLSA-N 0 0 497.384 4.948 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCCO2)c1C ZINC001360875191 1066016939 /nfs/dbraw/zinc/01/69/39/1066016939.db2.gz XOLWNBWUEZXIDG-JTHBVZDNSA-N 0 0 456.631 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H]1CCCCC(F)(F)C1 ZINC001545939474 1066016830 /nfs/dbraw/zinc/01/68/30/1066016830.db2.gz CETPCFYXOJPJFF-BBWFWOEESA-N 0 0 457.635 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360875304 1066017454 /nfs/dbraw/zinc/01/74/54/1066017454.db2.gz SGIKJPZZXVFNLK-HFZDXXHNSA-N 0 0 498.697 4.615 20 0 JJADRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccnc(Cl)c2I)C2CC2)o1 ZINC001441236749 1066017745 /nfs/dbraw/zinc/01/77/45/1066017745.db2.gz FHZLUPRJDNNLGP-HZMBPMFUSA-N 0 0 456.711 4.861 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)ccc1OC(C)C ZINC001441237939 1066017803 /nfs/dbraw/zinc/01/78/03/1066017803.db2.gz DKTSZWZNXVBXET-QGZVFWFLSA-N 0 0 450.539 4.829 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1C ZINC001360875549 1066018185 /nfs/dbraw/zinc/01/81/85/1066018185.db2.gz VHULAMWGQVYAKC-FGZHOGPDSA-N 0 0 485.673 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360875634 1066018580 /nfs/dbraw/zinc/01/85/80/1066018580.db2.gz WOPXYVDUNYEGBA-PKTZIBPZSA-N 0 0 477.653 4.963 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCCOC(C)C)c1C ZINC001360875568 1066018745 /nfs/dbraw/zinc/01/87/45/1066018745.db2.gz VQPFVQHVAIQUOZ-ATIYNZHBSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]3c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360875745 1066019085 /nfs/dbraw/zinc/01/90/85/1066019085.db2.gz YFHRAJHCHKWYSH-SFTDATJTSA-N 0 0 465.598 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCn2cc(Br)cn2)c1C ZINC001360875803 1066019525 /nfs/dbraw/zinc/01/95/25/1066019525.db2.gz ZHMJKVGELDOAFW-LPHOPBHVSA-N 0 0 487.446 4.930 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360875823 1066019555 /nfs/dbraw/zinc/01/95/55/1066019555.db2.gz ZLDNQBXKLTVHEC-VHSZZVNMSA-N 0 0 480.657 4.559 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360875821 1066019662 /nfs/dbraw/zinc/01/96/62/1066019662.db2.gz ZLDNQBXKLTVHEC-UMTXDNHDSA-N 0 0 480.657 4.559 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@@]2(O)CCCC2(C)C)c1C ZINC001360875797 1066019708 /nfs/dbraw/zinc/01/97/08/1066019708.db2.gz ZDFPNSQEDYTYTD-KCPMXOJXSA-N 0 0 456.631 4.591 20 0 JJADRN O=C(Cc1nc(C(F)(F)F)cs1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441244134 1066019716 /nfs/dbraw/zinc/01/97/16/1066019716.db2.gz SMIRKTOQGRXCRN-GFCCVEGCSA-N 0 0 452.285 4.641 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC001441244841 1066019786 /nfs/dbraw/zinc/01/97/86/1066019786.db2.gz QDOXDPLWKLIBSQ-SFHVURJKSA-N 0 0 452.312 4.503 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC001360876464 1066020562 /nfs/dbraw/zinc/02/05/62/1066020562.db2.gz RWJKUUHCBCZDCF-RRQGHBQHSA-N 0 0 453.530 4.729 20 0 JJADRN CC[C@@H](NC(=O)c1cc(F)ccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876221 1066020596 /nfs/dbraw/zinc/02/05/96/1066020596.db2.gz LMLSRBYDXTXYQQ-SNVBAGLBSA-N 0 0 458.218 4.787 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 ZINC001360876542 1066020670 /nfs/dbraw/zinc/02/06/70/1066020670.db2.gz ULBZUZFPJNBSGC-UHFFFAOYSA-N 0 0 456.390 4.842 20 0 JJADRN COc1ccc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1NC(=O)OC(C)(C)C ZINC001441251601 1066020791 /nfs/dbraw/zinc/02/07/91/1066020791.db2.gz XQLQIOABPDMERE-HZPDHXFCSA-N 0 0 463.575 4.874 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3Cc3cccs3)n2CC(=O)NC(C)C)c1C ZINC001360876796 1066021014 /nfs/dbraw/zinc/02/10/14/1066021014.db2.gz BKMKHBQCWPBDLW-NHCUHLMSSA-N 0 0 481.666 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1Cc1ccc(C)cc1OC ZINC001545939718 1066021310 /nfs/dbraw/zinc/02/13/10/1066021310.db2.gz IYAHTJVZPQMXOY-UHFFFAOYSA-N 0 0 485.698 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@]2(C)CCCS2)c1C ZINC001360876833 1066021626 /nfs/dbraw/zinc/02/16/26/1066021626.db2.gz BVMGKZNTWCGSFO-QFQXNSOFSA-N 0 0 485.698 4.625 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876853 1066021673 /nfs/dbraw/zinc/02/16/73/1066021673.db2.gz CBTQLMAGDWORLN-RTWAWAEBSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360876889 1066022084 /nfs/dbraw/zinc/02/20/84/1066022084.db2.gz CWQHBHVPUFVPRN-PMACEKPBSA-N 0 0 475.584 4.529 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)ccc2c1 ZINC001360877578 1066023364 /nfs/dbraw/zinc/02/33/64/1066023364.db2.gz HJQLKVVZGZIHMF-KRWDZBQOSA-N 0 0 454.592 4.976 20 0 JJADRN NC(=O)C1CCN(c2cccc(NC(=O)CCc3cccc(OCc4ccccc4)c3)c2)CC1 ZINC001360877572 1066023465 /nfs/dbraw/zinc/02/34/65/1066023465.db2.gz HGLKDHHCVSNQDV-UHFFFAOYSA-N 0 0 457.574 4.539 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)c2nccs2)c1C ZINC001360877444 1066023659 /nfs/dbraw/zinc/02/36/59/1066023659.db2.gz LMJQZXZJCOPEAA-TZIWHRDSSA-N 0 0 496.681 4.600 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360877818 1066023892 /nfs/dbraw/zinc/02/38/92/1066023892.db2.gz ODBXMAPQYKSYGV-CMUXUYBJSA-N 0 0 458.672 4.961 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1S(=O)(=O)NC(C)(C)C ZINC001360877930 1066024280 /nfs/dbraw/zinc/02/42/80/1066024280.db2.gz NMMIGJQCRAATLL-UHFFFAOYSA-N 0 0 450.429 4.621 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360878286 1066025320 /nfs/dbraw/zinc/02/53/20/1066025320.db2.gz TZDMKBOPAYLVPS-AMGIVPHBSA-N 0 0 497.709 4.826 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CCCC2CCOCC2)c1C ZINC001360878251 1066025555 /nfs/dbraw/zinc/02/55/55/1066025555.db2.gz SOHHAMFVLPBNKD-NRFANRHFSA-N 0 0 491.627 4.629 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCOC(C)C)c1C ZINC001360878765 1066026846 /nfs/dbraw/zinc/02/68/46/1066026846.db2.gz ZUSHMZDPJGYCEJ-VQTJNVASSA-N 0 0 483.579 4.533 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2C[C@@](C)(O)C2CCCCC2)c1C ZINC001360878779 1066026860 /nfs/dbraw/zinc/02/68/60/1066026860.db2.gz ACTQOBDVKMJMDV-JDRJUVJTSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2C[C@@](C)(O)C2CCCCC2)c1C ZINC001360878781 1066026884 /nfs/dbraw/zinc/02/68/84/1066026884.db2.gz ACTQOBDVKMJMDV-NYUJMHJJSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC2(F)CCC2)c1C ZINC001360878682 1066027080 /nfs/dbraw/zinc/02/70/80/1066027080.db2.gz YGFXMXZQLONGBG-OAQYLSRUSA-N 0 0 471.621 4.622 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1C ZINC001360878780 1066027090 /nfs/dbraw/zinc/02/70/90/1066027090.db2.gz ACTQOBDVKMJMDV-KCPMXOJXSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc([C@@H](CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)N2CCOCC2)c1 ZINC001441319793 1066027174 /nfs/dbraw/zinc/02/71/74/1066027174.db2.gz SDILNMKJEUCLHA-HHHXNRCGSA-N 0 0 456.586 4.815 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360878863 1066027378 /nfs/dbraw/zinc/02/73/78/1066027378.db2.gz BOCFLMIXTXUUBJ-DHLKQENFSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360879052 1066028117 /nfs/dbraw/zinc/02/81/17/1066028117.db2.gz FHFVIOAYTNDIDG-UQBPGWFLSA-N 0 0 470.639 4.867 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360879044 1066028238 /nfs/dbraw/zinc/02/82/38/1066028238.db2.gz FFHMVUGWXKXWNC-WOJBJXKFSA-N 0 0 453.587 4.692 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360879049 1066028267 /nfs/dbraw/zinc/02/82/67/1066028267.db2.gz FHFVIOAYTNDIDG-CLOONOSVSA-N 0 0 470.639 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCn1ccc2ccccc21 ZINC001545940253 1066028594 /nfs/dbraw/zinc/02/85/94/1066028594.db2.gz VKVSUBNUHHQGJK-RTBURBONSA-N 0 0 468.671 4.572 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2CCCOC2CCOCC2)c1C ZINC001360879060 1066028688 /nfs/dbraw/zinc/02/86/88/1066028688.db2.gz FLVFDOXDQUKZCC-TZIWHRDSSA-N 0 0 474.671 4.562 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001441326303 1066028869 /nfs/dbraw/zinc/02/88/69/1066028869.db2.gz JCGQUOGIDTWHLZ-KYJSFNMBSA-N 0 0 455.393 4.816 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1Cl)c1ccccc1 ZINC001441328750 1066028964 /nfs/dbraw/zinc/02/89/64/1066028964.db2.gz QYGGHMYCIWRQJQ-WMZOPIPTSA-N 0 0 451.958 4.628 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001441326299 1066028989 /nfs/dbraw/zinc/02/89/89/1066028989.db2.gz JCGQUOGIDTWHLZ-HFTRVMKXSA-N 0 0 455.393 4.816 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360879098 1066029108 /nfs/dbraw/zinc/02/91/08/1066029108.db2.gz FWRUWSUTCSJGJM-IRLDBZIGSA-N 0 0 487.714 4.918 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC(C)(C)C(C)C)c1C ZINC001360879152 1066029406 /nfs/dbraw/zinc/02/94/06/1066029406.db2.gz HAIDQQHVONRUCS-FDFHNCONSA-N 0 0 467.658 4.774 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](c4ccco4)C3)n2CCCOC(F)F)c1C ZINC001360879201 1066029542 /nfs/dbraw/zinc/02/95/42/1066029542.db2.gz HWPXFWZPIWPKRE-RXVVDRJESA-N 0 0 476.524 4.835 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545940383 1066029786 /nfs/dbraw/zinc/02/97/86/1066029786.db2.gz YVFXQLXXWNCNNE-JOCHJYFZSA-N 0 0 487.714 4.892 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545940406 1066029976 /nfs/dbraw/zinc/02/99/76/1066029976.db2.gz ZCGVUVGAZQEQSO-QZTJIDSGSA-N 0 0 473.687 4.513 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CCCC(C)C)c1C ZINC001360879388 1066029977 /nfs/dbraw/zinc/02/99/77/1066029977.db2.gz KMOIBQLCJSUVPX-AMGIVPHBSA-N 0 0 480.657 4.957 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC(C)(C)C3)n2CCN(C)CC(F)(F)F)c1C ZINC001360879385 1066030016 /nfs/dbraw/zinc/03/00/16/1066030016.db2.gz KLLNJUDLDPEIII-GOSISDBHSA-N 0 0 485.620 4.861 20 0 JJADRN CC(=O)c1cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1OC(C)C ZINC001441346105 1066031274 /nfs/dbraw/zinc/03/12/74/1066031274.db2.gz HFCODXHKQVTSAO-UHFFFAOYSA-N 0 0 452.532 4.730 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1C ZINC001360879867 1066031614 /nfs/dbraw/zinc/03/16/14/1066031614.db2.gz RFCIUEHYUGDVAZ-RDJZCZTQSA-N 0 0 462.463 4.848 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)sc1C ZINC001360879908 1066031660 /nfs/dbraw/zinc/03/16/60/1066031660.db2.gz RRTKPFKHTXNSFQ-PBEJRMEISA-N 0 0 469.655 4.558 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCOc2ncccc2F)c1C ZINC001360879909 1066031675 /nfs/dbraw/zinc/03/16/75/1066031675.db2.gz RSXSUDRFZUKQRP-NFBKMPQASA-N 0 0 483.588 4.509 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC001441349411 1066031634 /nfs/dbraw/zinc/03/16/34/1066031634.db2.gz QXKWONOZEOFPTF-FBMGVBCBSA-N 0 0 450.560 4.932 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(C3)CCCCCC4)n2CC(C)(C)O)c1C ZINC001360879944 1066031910 /nfs/dbraw/zinc/03/19/10/1066031910.db2.gz SFBKUFBVNOWBQB-OAQYLSRUSA-N 0 0 456.631 4.735 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4ccco4)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360879950 1066032023 /nfs/dbraw/zinc/03/20/23/1066032023.db2.gz SHQSQHWRKQNUKS-SEIBCYHCSA-N 0 0 468.598 4.613 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCc2cccnc2)c1C ZINC001360880001 1066032147 /nfs/dbraw/zinc/03/21/47/1066032147.db2.gz UGKWZLOZAUNLQV-QPPBQGQZSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1C ZINC001360880117 1066032525 /nfs/dbraw/zinc/03/25/25/1066032525.db2.gz WHCGAMQWBXKAFA-DENIHFKCSA-N 0 0 487.048 4.836 20 0 JJADRN Cc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1NS(=O)(=O)c1ccccc1 ZINC001441353756 1066032367 /nfs/dbraw/zinc/03/23/67/1066032367.db2.gz PGTZJVDQLQKNJC-MRXNPFEDSA-N 0 0 454.573 4.631 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC4(CCOCC4)C3)n2CCCOC(F)F)c1C ZINC001360880315 1066032770 /nfs/dbraw/zinc/03/27/70/1066032770.db2.gz ZFVUALWXMYLCHS-IBGZPJMESA-N 0 0 496.624 4.767 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360880301 1066032848 /nfs/dbraw/zinc/03/28/48/1066032848.db2.gz ZCZAGKGJJZYIJB-KZNAEPCWSA-N 0 0 458.657 4.573 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCSc2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC001441355131 1066032730 /nfs/dbraw/zinc/03/27/30/1066032730.db2.gz RXDHAONWLZUYQB-WIOPSUGQSA-N 0 0 454.636 4.992 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1C(C)C ZINC001441355367 1066033147 /nfs/dbraw/zinc/03/31/47/1066033147.db2.gz FCZVJIGFBDBYGZ-UHFFFAOYSA-N 0 0 450.366 4.554 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@H]2C)c1C ZINC001360880349 1066033070 /nfs/dbraw/zinc/03/30/70/1066033070.db2.gz ZTQYLNWEYVIVLO-PBASOCQRSA-N 0 0 469.630 4.794 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC001360880387 1066033114 /nfs/dbraw/zinc/03/31/14/1066033114.db2.gz AKTMHPUXBLMPJX-RPBOFIJWSA-N 0 0 456.652 4.753 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3c(Cl)cc(F)cc3Br)CC2)cc1 ZINC001360880617 1066033584 /nfs/dbraw/zinc/03/35/84/1066033584.db2.gz GTBWSCXYPOXWKZ-UHFFFAOYSA-N 0 0 454.771 4.706 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)c1Cl ZINC001360881043 1066034064 /nfs/dbraw/zinc/03/40/64/1066034064.db2.gz MTGOULPRUITDGL-CQSZACIVSA-N 0 0 450.771 4.558 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1Cl ZINC001441360040 1066034249 /nfs/dbraw/zinc/03/42/49/1066034249.db2.gz MXMNEYWKODNTJT-CQSZACIVSA-N 0 0 455.769 4.707 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3ccn(C)n3)n2CCOc2ncccc2Cl)c1C ZINC001360881923 1066035063 /nfs/dbraw/zinc/03/50/63/1066035063.db2.gz SCFNPZWBSFCCRQ-QGZVFWFLSA-N 0 0 467.961 4.639 20 0 JJADRN Cc1cc(Cn2nnc(C(=O)N(C)[C@@H](C)c3sc(-c4ccc(C)cc4)nc3C)c2C)no1 ZINC001360882364 1066035835 /nfs/dbraw/zinc/03/58/35/1066035835.db2.gz IAAAXXNPJHDUFM-KRWDZBQOSA-N 0 0 450.568 4.505 20 0 JJADRN O=C(Nc1nc2ccsc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001360882588 1066035985 /nfs/dbraw/zinc/03/59/85/1066035985.db2.gz QBNJECZYYQNCJO-UHFFFAOYSA-N 0 0 456.014 4.828 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@](C)(O)CSc3cccc(F)c3)CC2)cc1 ZINC001441369191 1066036095 /nfs/dbraw/zinc/03/60/95/1066036095.db2.gz KEGWABFDLKCRGB-AREMUKBSSA-N 0 0 457.611 4.989 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(Br)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001360882884 1066036100 /nfs/dbraw/zinc/03/61/00/1066036100.db2.gz CGHHVIAMENNPAV-UHFFFAOYSA-N 0 0 486.458 4.903 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001441387971 1066036535 /nfs/dbraw/zinc/03/65/35/1066036535.db2.gz BTEWGDKRZWCVEA-NRFANRHFSA-N 0 0 452.523 4.832 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCc2ccccc2C1 ZINC001441388007 1066036731 /nfs/dbraw/zinc/03/67/31/1066036731.db2.gz CARPNAZQCUNJQM-DEOSSOPVSA-N 0 0 456.514 4.899 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C)=C(C)C2)n1CCCSCC(C)C ZINC001360883404 1066036998 /nfs/dbraw/zinc/03/69/98/1066036998.db2.gz QQIAOFGNZIBYFX-UHFFFAOYSA-N 0 0 490.743 4.872 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001441397017 1066037263 /nfs/dbraw/zinc/03/72/63/1066037263.db2.gz JVFXJWKWRRZGBP-VXKWHMMOSA-N 0 0 452.599 4.621 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001441397221 1066037345 /nfs/dbraw/zinc/03/73/45/1066037345.db2.gz LMHMPKDEQPGLBA-UHFFFAOYSA-N 0 0 457.500 4.922 20 0 JJADRN O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001441392725 1066037502 /nfs/dbraw/zinc/03/75/02/1066037502.db2.gz DGGVKBVXVVLWNP-CPNJWEJPSA-N 0 0 456.399 4.512 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCOCc2ccccc2)CC1 ZINC001360883671 1066037397 /nfs/dbraw/zinc/03/73/97/1066037397.db2.gz WIFNHGXOHKDRQU-UHFFFAOYSA-N 0 0 470.415 4.809 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001360883427 1066037561 /nfs/dbraw/zinc/03/75/61/1066037561.db2.gz RDJJTXHZBHCMCY-UHFFFAOYSA-N 0 0 493.356 4.637 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN1CCOC[C@H]1C ZINC001360883481 1066037617 /nfs/dbraw/zinc/03/76/17/1066037617.db2.gz SZCKSWKCVQDORO-YADHBBJMSA-N 0 0 488.076 4.956 20 0 JJADRN CSC1(CNC(=O)c2ccccc2OCc2cccc(Br)c2)CCOCC1 ZINC001360883925 1066037863 /nfs/dbraw/zinc/03/78/63/1066037863.db2.gz GRMVTADMGLJGNL-UHFFFAOYSA-N 0 0 450.398 4.670 20 0 JJADRN CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360883756 1066037904 /nfs/dbraw/zinc/03/79/04/1066037904.db2.gz XYKXFRQHJJHHGO-IDISGSTGSA-N 0 0 468.642 4.718 20 0 JJADRN C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1ccc(OCc2cccnc2)cc1 ZINC001441402859 1066037880 /nfs/dbraw/zinc/03/78/80/1066037880.db2.gz HXWCTLLGWLBJNU-NOHMWWQBSA-N 0 0 451.567 4.626 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001360884471 1066038787 /nfs/dbraw/zinc/03/87/87/1066038787.db2.gz VJPZLRXKUGHFED-KJBBBAAKSA-N 0 0 455.643 4.896 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)C1CCCC1 ZINC001441408839 1066038957 /nfs/dbraw/zinc/03/89/57/1066038957.db2.gz WKTFJBKFCCYGIM-NRFANRHFSA-N 0 0 458.580 4.574 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC2CCCCCC2)CC1 ZINC001360884772 1066039091 /nfs/dbraw/zinc/03/90/91/1066039091.db2.gz GMOORRALAHFQNI-UHFFFAOYSA-N 0 0 472.655 4.635 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)=C(C)C1 ZINC001360884847 1066039263 /nfs/dbraw/zinc/03/92/63/1066039263.db2.gz JDATWCBFABKQDZ-UHFFFAOYSA-N 0 0 459.417 4.771 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001360885026 1066039537 /nfs/dbraw/zinc/03/95/37/1066039537.db2.gz PJRWGZHMKYZGMF-QHCPKHFHSA-N 0 0 467.658 4.637 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CC1 ZINC001441421845 1066039601 /nfs/dbraw/zinc/03/96/01/1066039601.db2.gz VRGIDTMPSLXSBY-UHFFFAOYSA-N 0 0 450.505 4.563 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001441420206 1066039644 /nfs/dbraw/zinc/03/96/44/1066039644.db2.gz JRXFFNWSYAESNT-ZEQRLZLVSA-N 0 0 458.558 4.626 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001360885002 1066039623 /nfs/dbraw/zinc/03/96/23/1066039623.db2.gz OIVQGBHEZOGWBE-UHFFFAOYSA-N 0 0 479.547 4.595 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Nc1c(F)cccc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441424399 1066040164 /nfs/dbraw/zinc/04/01/64/1066040164.db2.gz CQLLSXOVXKEBTL-INIZCTEOSA-N 0 0 451.473 4.813 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360886021 1066040298 /nfs/dbraw/zinc/04/02/98/1066040298.db2.gz GRXSPVLZQAGNCW-LJQANCHMSA-N 0 0 464.614 4.897 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441427076 1066040378 /nfs/dbraw/zinc/04/03/78/1066040378.db2.gz KHJHJHTWIICZCA-AWEZNQCLSA-N 0 0 454.324 4.601 20 0 JJADRN COc1ccc(NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc1N1CCCCC1=O ZINC001441426301 1066040516 /nfs/dbraw/zinc/04/05/16/1066040516.db2.gz PBJLICFXDFPHDP-UHFFFAOYSA-N 0 0 457.502 4.951 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC001441426466 1066040526 /nfs/dbraw/zinc/04/05/26/1066040526.db2.gz UAEOJPSHWPVIPE-HXUWFJFHSA-N 0 0 453.970 4.894 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C)=C(C)C1 ZINC001360886201 1066040845 /nfs/dbraw/zinc/04/08/45/1066040845.db2.gz MRPWNUHFCGPXKS-UHFFFAOYSA-N 0 0 450.974 4.877 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC001441427860 1066040835 /nfs/dbraw/zinc/04/08/35/1066040835.db2.gz ZFVXAIVSUHBBNA-PWRODBHTSA-N 0 0 450.579 4.632 20 0 JJADRN O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc(I)cc1O ZINC001441427121 1066040856 /nfs/dbraw/zinc/04/08/56/1066040856.db2.gz KMIKYBGCBMJSCT-UHFFFAOYSA-N 0 0 459.283 4.506 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Br)ccc1N ZINC001441427890 1066040907 /nfs/dbraw/zinc/04/09/07/1066040907.db2.gz ZKXMNWCUNWDPHG-UHFFFAOYSA-N 0 0 459.171 4.829 20 0 JJADRN C[C@@H](CNC(=O)Cc1csc(-c2sccc2Br)n1)Oc1ccccc1F ZINC001360887006 1066041041 /nfs/dbraw/zinc/04/10/41/1066041041.db2.gz LQSJVRVDXQYYJD-NSHDSACASA-N 0 0 455.374 4.899 20 0 JJADRN CC(C)n1c2ccc(C(=O)NCCc3ccn(-c4ccc(F)cc4)n3)cc2nc1C(F)(F)F ZINC001360887090 1066041086 /nfs/dbraw/zinc/04/10/86/1066041086.db2.gz OLCXIXVFTHKVFO-UHFFFAOYSA-N 0 0 459.447 4.933 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 ZINC001360888299 1066041524 /nfs/dbraw/zinc/04/15/24/1066041524.db2.gz UGRYEKHAKJKMEY-LEWJYISDSA-N 0 0 459.635 4.508 20 0 JJADRN CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1cccc(Cl)c1 ZINC001360888524 1066041847 /nfs/dbraw/zinc/04/18/47/1066041847.db2.gz ANUSKTVTLXYUIR-GOSISDBHSA-N 0 0 453.004 4.948 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001360888726 1066041910 /nfs/dbraw/zinc/04/19/10/1066041910.db2.gz GGQCKWGZBUVZEM-CYBMUJFWSA-N 0 0 458.502 4.690 20 0 JJADRN CCCCCOc1ccc([C@H](C)NC(=O)c2cc(Br)c(C)[nH]c2=O)cc1OC ZINC001441452285 1066042085 /nfs/dbraw/zinc/04/20/85/1066042085.db2.gz RZFFFHKVVXHPFC-ZDUSSCGKSA-N 0 0 451.361 4.927 20 0 JJADRN C[C@H](C(=O)NC[C@H](c1ccccc1)C(C)(C)CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545942057 1066042099 /nfs/dbraw/zinc/04/20/99/1066042099.db2.gz ILULOVSHDFBTGC-PMOQBDJRSA-N 0 0 454.611 4.807 20 0 JJADRN CSc1ccc([C@@H](CNC(=O)Cc2cc(F)ccc2O)N2CCc3sccc3C2)cc1 ZINC001441462703 1066043119 /nfs/dbraw/zinc/04/31/19/1066043119.db2.gz CXQZLCFPRCZLHJ-OAQYLSRUSA-N 0 0 456.608 4.773 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001360890566 1066043168 /nfs/dbraw/zinc/04/31/68/1066043168.db2.gz MGJXVKGTTVMCBU-ZWKOTPCHSA-N 0 0 459.077 4.651 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360892057 1066043415 /nfs/dbraw/zinc/04/34/15/1066043415.db2.gz IZKMYKBLXLBUDC-UHFFFAOYSA-N 0 0 497.441 4.675 20 0 JJADRN Cc1ccccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360892581 1066044318 /nfs/dbraw/zinc/04/43/18/1066044318.db2.gz DYJKQFFSDXFRMG-SZPZYZBQSA-N 0 0 451.615 4.952 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001360892343 1066044349 /nfs/dbraw/zinc/04/43/49/1066044349.db2.gz UMRACTHPMKKATL-UHFFFAOYSA-N 0 0 465.642 4.669 20 0 JJADRN CNc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001441474587 1066044395 /nfs/dbraw/zinc/04/43/95/1066044395.db2.gz QMQZUBVFXVPNOR-NRFANRHFSA-N 0 0 452.649 4.745 20 0 JJADRN Nc1ccc(Br)cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001441474174 1066044600 /nfs/dbraw/zinc/04/46/00/1066044600.db2.gz PSXPUAFWERJAPJ-FQEVSTJZSA-N 0 0 456.409 4.622 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1 ZINC001441476165 1066045122 /nfs/dbraw/zinc/04/51/22/1066045122.db2.gz OJGBWYYLCYFHGE-UHFFFAOYSA-N 0 0 459.546 4.648 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC1 ZINC001360892941 1066045357 /nfs/dbraw/zinc/04/53/57/1066045357.db2.gz ROBSIIWSERCUHZ-SFHVURJKSA-N 0 0 458.632 4.596 20 0 JJADRN NC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)c(F)c1 ZINC001360893174 1066045727 /nfs/dbraw/zinc/04/57/27/1066045727.db2.gz BQOOUWXPIVMSJW-UHFFFAOYSA-N 0 0 457.292 4.887 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC001441482652 1066046043 /nfs/dbraw/zinc/04/60/43/1066046043.db2.gz RNZTWKSUCNVMII-MRXNPFEDSA-N 0 0 450.476 4.811 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)CC2)oc1C ZINC001360893964 1066046005 /nfs/dbraw/zinc/04/60/05/1066046005.db2.gz CCUUVIQCDCBGMS-UHFFFAOYSA-N 0 0 484.620 4.750 20 0 JJADRN COCCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001441493234 1066046566 /nfs/dbraw/zinc/04/65/66/1066046566.db2.gz FECWNSMLZBWDBY-AREMUKBSSA-N 0 0 458.558 4.809 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C4CC4)n3CCCNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894344 1066046984 /nfs/dbraw/zinc/04/69/84/1066046984.db2.gz NVSLHQUOWBDIGE-SFHVURJKSA-N 0 0 460.648 4.528 20 0 JJADRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001441501295 1066047052 /nfs/dbraw/zinc/04/70/52/1066047052.db2.gz ZYCGSGDBYCUMMM-UHFFFAOYSA-N 0 0 456.468 4.589 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)cs2)c1 ZINC001441497475 1066047098 /nfs/dbraw/zinc/04/70/98/1066047098.db2.gz PMJPHNPOPTZJPQ-NRFANRHFSA-N 0 0 455.555 4.995 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C)n3Cc3ccsc3Br)C2)sc1C ZINC001360894863 1066047316 /nfs/dbraw/zinc/04/73/16/1066047316.db2.gz XBKPCKCRHASZKL-HNNXBMFYSA-N 0 0 452.447 4.916 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC(=O)N(C)C)C2)sc1C ZINC001360894814 1066047389 /nfs/dbraw/zinc/04/73/89/1066047389.db2.gz VUMVZDGADFRYIO-INIZCTEOSA-N 0 0 491.036 4.673 20 0 JJADRN C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCN(c2ccccc2)CC1 ZINC001441509030 1066047376 /nfs/dbraw/zinc/04/73/76/1066047376.db2.gz OKEJDPRGRXIJIE-HXUWFJFHSA-N 0 0 459.556 4.844 20 0 JJADRN O=C(N[C@H](C(=O)Nc1ccc(Oc2cnccn2)cc1)c1ccccc1)OCc1ccccc1 ZINC001441508148 1066047406 /nfs/dbraw/zinc/04/74/06/1066047406.db2.gz JIEBSBUIYTWRDF-DEOSSOPVSA-N 0 0 454.486 4.875 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C)n3Cc3ccc(NC(=O)NC(C)C)cc3)C2)sc1C ZINC001360894866 1066047766 /nfs/dbraw/zinc/04/77/66/1066047766.db2.gz XCXYXNCNBNBTGC-HXUWFJFHSA-N 0 0 467.643 4.622 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CCSC(F)(F)F)C2)sc1C ZINC001360895382 1066047955 /nfs/dbraw/zinc/04/79/55/1066047955.db2.gz AFFBJORSNFDMNA-HZPDHXFCSA-N 0 0 475.606 4.882 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC4CC4)n3CCN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360895550 1066047992 /nfs/dbraw/zinc/04/79/92/1066047992.db2.gz GNLGWAVHFYXJIW-LJQANCHMSA-N 0 0 474.675 4.555 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)sc1C ZINC001360895592 1066048384 /nfs/dbraw/zinc/04/83/84/1066048384.db2.gz HKLKZDOASWNUPW-GOEBONIOSA-N 0 0 461.632 4.815 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441532026 1066048757 /nfs/dbraw/zinc/04/87/57/1066048757.db2.gz DZFPSIBZIPDHMD-INIZCTEOSA-N 0 0 459.477 4.859 20 0 JJADRN CN(CCOc1cccc(C(=O)Oc2ccc(NC(=O)C3CC3)cc2)c1)C(=O)OC(C)(C)C ZINC001441534268 1066048817 /nfs/dbraw/zinc/04/88/17/1066048817.db2.gz MOYLTKGPPPCOSI-UHFFFAOYSA-N 0 0 454.523 4.500 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C[C@H](C)C2)sc1C ZINC001360895783 1066048758 /nfs/dbraw/zinc/04/87/58/1066048758.db2.gz MBGHFPCVIHBODB-KBPBESRZSA-N 0 0 477.476 4.844 20 0 JJADRN C[C@@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441538267 1066049211 /nfs/dbraw/zinc/04/92/11/1066049211.db2.gz VPJOYTGJMGTYAE-CPJLOUKISA-N 0 0 454.929 4.745 20 0 JJADRN Cc1cccc(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCCC1 ZINC001441539204 1066049256 /nfs/dbraw/zinc/04/92/56/1066049256.db2.gz KLRPZPMLHMCAIX-WOJBJXKFSA-N 0 0 457.615 4.843 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@H](SC)C(C)(C)C ZINC001545942742 1066049767 /nfs/dbraw/zinc/04/97/67/1066049767.db2.gz FWIGMDVLZOBJPC-NJYVYQBISA-N 0 0 475.678 4.916 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc(F)cc(Br)c2N)ccc1OC1CCCC1 ZINC001441548357 1066050294 /nfs/dbraw/zinc/05/02/94/1066050294.db2.gz FUDVAVAOABINDV-GFCCVEGCSA-N 0 0 451.336 4.991 20 0 JJADRN C[C@H]1CN([C@H](CNC(=O)c2cc3cc(Cl)sc3[nH]2)c2c(F)cccc2Cl)CCO1 ZINC001441547553 1066050367 /nfs/dbraw/zinc/05/03/67/1066050367.db2.gz ZPXXDLAILDZBOZ-MEDUHNTESA-N 0 0 456.370 4.867 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c2ccccc2Cl)cc1 ZINC001360897646 1066050656 /nfs/dbraw/zinc/05/06/56/1066050656.db2.gz MVCJVXHNKPCCPV-DEOSSOPVSA-N 0 0 455.938 4.823 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1NC(=O)Nc1ccccc1 ZINC001441557855 1066050859 /nfs/dbraw/zinc/05/08/59/1066050859.db2.gz DTNQCMRMOCCNSX-UHFFFAOYSA-N 0 0 452.555 4.768 20 0 JJADRN Cc1ccc(OCCCCNC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001441561539 1066051032 /nfs/dbraw/zinc/05/10/32/1066051032.db2.gz DFVIVQDFQMBGPR-UHFFFAOYSA-N 0 0 458.521 4.850 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccccc2O[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC001360898300 1066051121 /nfs/dbraw/zinc/05/11/21/1066051121.db2.gz YBJBZGSUHZKNIK-RLWLMLJZSA-N 0 0 451.950 4.965 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2ccccc2Cl)sc1C ZINC001360898693 1066051540 /nfs/dbraw/zinc/05/15/40/1066051540.db2.gz ZAVFCOQOQLCKGA-GOSISDBHSA-N 0 0 476.046 4.657 20 0 JJADRN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(Br)cc1O ZINC001441567630 1066051709 /nfs/dbraw/zinc/05/17/09/1066051709.db2.gz YHZAJTLPCSEGFI-LJQANCHMSA-N 0 0 454.299 4.815 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)C2)sc1C ZINC001360898765 1066051935 /nfs/dbraw/zinc/05/19/35/1066051935.db2.gz CGUZDFJMQAZCGF-AWEZNQCLSA-N 0 0 464.060 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](C)Cc1cccs1 ZINC001545942880 1066051973 /nfs/dbraw/zinc/05/19/73/1066051973.db2.gz KHVYENVPOQNOQU-IIDMSEBBSA-N 0 0 471.593 4.771 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)c3ccc(C(C)C)cc3O)cc2)cc1 ZINC001441573569 1066052016 /nfs/dbraw/zinc/05/20/16/1066052016.db2.gz RXEFXJSCBUGPKZ-UHFFFAOYSA-N 0 0 454.548 4.718 20 0 JJADRN Cc1ccc(OCCCCNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001441571795 1066052063 /nfs/dbraw/zinc/05/20/63/1066052063.db2.gz ZONDIYVZTOOJBV-UHFFFAOYSA-N 0 0 458.558 4.809 20 0 JJADRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)sc1C ZINC001360898957 1066052162 /nfs/dbraw/zinc/05/21/62/1066052162.db2.gz FYFBMJHOUOCDOZ-KRWDZBQOSA-N 0 0 485.601 4.794 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(=O)[nH]1 ZINC001441592936 1066052600 /nfs/dbraw/zinc/05/26/00/1066052600.db2.gz QCTYHMCWYCQYLT-UHFFFAOYSA-N 0 0 458.562 4.601 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 ZINC001441598294 1066052659 /nfs/dbraw/zinc/05/26/59/1066052659.db2.gz CVPMUJJQDXUJBY-UHFFFAOYSA-N 0 0 450.564 4.936 20 0 JJADRN CC(=O)N1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)c2ccccc21 ZINC001360899545 1066052993 /nfs/dbraw/zinc/05/29/93/1066052993.db2.gz NXTYDTYCLQCPRH-UHFFFAOYSA-N 0 0 458.287 4.647 20 0 JJADRN Cc1nc(CCn2c(COc3ccccc3F)nnc2N2CC[C@@H](OCC(C)C)C2)sc1C ZINC001360899874 1066053044 /nfs/dbraw/zinc/05/30/44/1066053044.db2.gz UEURUMFKZZVTRW-LJQANCHMSA-N 0 0 473.618 4.564 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001441608975 1066053283 /nfs/dbraw/zinc/05/32/83/1066053283.db2.gz CIJCDXWBDNADAA-IBGZPJMESA-N 0 0 450.366 4.836 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2sc([C@H]3CCOC3)nc2C)CC1 ZINC001441608718 1066053331 /nfs/dbraw/zinc/05/33/31/1066053331.db2.gz BKFCBXKTPQWPOK-LEWJYISDSA-N 0 0 456.608 4.545 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360899891 1066053335 /nfs/dbraw/zinc/05/33/35/1066053335.db2.gz URWGMXKSZDNNEI-LJQANCHMSA-N 0 0 476.691 4.534 20 0 JJADRN CCSc1c[nH]c(=O)c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 ZINC001441609720 1066053445 /nfs/dbraw/zinc/05/34/45/1066053445.db2.gz GFAXAOMNYHYHJL-UHFFFAOYSA-N 0 0 459.930 4.874 20 0 JJADRN CC[C@H](CNC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(C)c1 ZINC001441613617 1066054073 /nfs/dbraw/zinc/05/40/73/1066054073.db2.gz JVFNZUNGHDMIHC-LJQANCHMSA-N 0 0 457.571 4.685 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cccc(N=S(C)(C)=O)c2)CC1 ZINC001441615462 1066054276 /nfs/dbraw/zinc/05/42/76/1066054276.db2.gz RZUKVRKKHGVSNT-HSZRJFAPSA-N 0 0 456.608 4.635 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CCCO)CC2)sc1C ZINC001360901225 1066054475 /nfs/dbraw/zinc/05/44/75/1066054475.db2.gz IWWYVEPUPCCNOJ-QGZVFWFLSA-N 0 0 473.618 4.668 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001441618150 1066054960 /nfs/dbraw/zinc/05/49/60/1066054960.db2.gz CGBXOBRYWQHWEK-LJQANCHMSA-N 0 0 455.599 4.669 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC001441620319 1066055030 /nfs/dbraw/zinc/05/50/30/1066055030.db2.gz HFTYRXAKAOWCOI-UHFFFAOYSA-N 0 0 450.608 4.617 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(Br)c3)nnc2N2CCOC(C)(C)[C@@H]2C)sc1C ZINC001360901544 1066055103 /nfs/dbraw/zinc/05/51/03/1066055103.db2.gz ULRJGORSNIOGRW-HNNXBMFYSA-N 0 0 476.444 4.833 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)sc1C ZINC001360901661 1066055430 /nfs/dbraw/zinc/05/54/30/1066055430.db2.gz XYKLSRFSKFDXML-MRXNPFEDSA-N 0 0 489.617 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)Nc3ccc(SC(F)(F)F)cc3)=NO2)CC1 ZINC001441624040 1066055394 /nfs/dbraw/zinc/05/53/94/1066055394.db2.gz OIHUDQHYNGJAMS-UHFFFAOYSA-N 0 0 459.490 4.783 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCSC2)sc1C ZINC001360902304 1066055790 /nfs/dbraw/zinc/05/57/90/1066055790.db2.gz FWRLWTVUSCMXIZ-CQSZACIVSA-N 0 0 464.458 4.771 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360902303 1066055966 /nfs/dbraw/zinc/05/59/66/1066055966.db2.gz FWRLWTVUSCMXIZ-AWEZNQCLSA-N 0 0 464.458 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Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001441642996 1066057348 /nfs/dbraw/zinc/05/73/48/1066057348.db2.gz MMMOVTDRIVZBKW-WQRHYEAKSA-N 0 0 458.477 4.992 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](C)C2)sc1C ZINC001360904178 1066057403 /nfs/dbraw/zinc/05/74/03/1066057403.db2.gz DTSIUOKPTLTMON-FUHIMQAGSA-N 0 0 488.702 4.997 20 0 JJADRN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001360903780 1066057513 /nfs/dbraw/zinc/05/75/13/1066057513.db2.gz MWBKCQVTQDSIPY-GOSISDBHSA-N 0 0 454.317 4.944 20 0 JJADRN O=C(C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccc(Br)s1 ZINC001441650102 1066057578 /nfs/dbraw/zinc/05/75/78/1066057578.db2.gz KRZCRXJYKJKJIE-UHFFFAOYSA-N 0 0 453.745 4.894 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@H](OCC(C)C)C2)sc1C ZINC001360904390 1066057790 /nfs/dbraw/zinc/05/77/90/1066057790.db2.gz HJPOFSKMANENJT-FQEVSTJZSA-N 0 0 460.047 4.895 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)CCc3ccccc3)CC2)sc1C ZINC001360904482 1066057868 /nfs/dbraw/zinc/05/78/68/1066057868.db2.gz JTELRINIAUKFEQ-UHFFFAOYSA-N 0 0 494.709 4.660 20 0 JJADRN Cc1nc(Cn2c(CC3CCCC3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)sc1C ZINC001360904425 1066057897 /nfs/dbraw/zinc/05/78/97/1066057897.db2.gz ILCKLLSDQSXIEC-LJQANCHMSA-N 0 0 480.682 4.788 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)sc1C ZINC001360904732 1066058462 /nfs/dbraw/zinc/05/84/62/1066058462.db2.gz NKLPGJUENCPGHY-SJKOYZFVSA-N 0 0 453.509 4.764 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3CCC3CC(OC(C)(C)C)C3)CC2)sc1C ZINC001360904967 1066058763 /nfs/dbraw/zinc/05/87/63/1066058763.db2.gz IFXLDURAOAIVRR-UHFFFAOYSA-N 0 0 474.719 4.959 20 0 JJADRN COc1cccc(Oc2ccc(CNC(=O)[C@H](C)[NH+]3CCC(Cc4ccccc4)CC3)cn2)c1 ZINC001441666308 1066058982 /nfs/dbraw/zinc/05/89/82/1066058982.db2.gz CYULAJXPLVYCEX-NRFANRHFSA-N 0 0 459.590 4.842 20 0 JJADRN Cc1nc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)sc1C ZINC001360905123 1066059156 /nfs/dbraw/zinc/05/91/56/1066059156.db2.gz UDMYIXVWTKBMRA-AWEZNQCLSA-N 0 0 482.473 4.754 20 0 JJADRN Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N(Cc2cccc(F)c2)C(C)C)sc1C ZINC001360905010 1066059288 /nfs/dbraw/zinc/05/92/88/1066059288.db2.gz JUJPIZJMIKGEPC-UHFFFAOYSA-N 0 0 498.653 4.945 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)C)n3Cc3ccccc3OC(C)C)CC2)sc1C ZINC001360905238 1066059641 /nfs/dbraw/zinc/05/96/41/1066059641.db2.gz MUUBBALGXVOZDF-UHFFFAOYSA-N 0 0 454.644 4.637 20 0 JJADRN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001441671521 1066059854 /nfs/dbraw/zinc/05/98/54/1066059854.db2.gz QNKTWUGPYFDXOA-IKGGRYGDSA-N 0 0 450.505 4.787 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C1 ZINC001441677160 1066060201 /nfs/dbraw/zinc/06/02/01/1066060201.db2.gz CZSYJWOXPUKLQA-UHFFFAOYSA-N 0 0 454.567 4.866 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)CCc2cc(Br)cs2)c2ccc(Cl)cc21 ZINC001360906577 1066060215 /nfs/dbraw/zinc/06/02/15/1066060215.db2.gz GXBCDFKHDCMWGP-LBPRGKRZSA-N 0 0 455.805 4.705 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(Cl)c(-n2cccc2)cc1OC ZINC001360905911 1066060525 /nfs/dbraw/zinc/06/05/25/1066060525.db2.gz FWVVTSJYFDXXAV-UHFFFAOYSA-N 0 0 452.986 4.913 20 0 JJADRN CC(C)n1nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c2ccccc2c1=O ZINC001441680853 1066060717 /nfs/dbraw/zinc/06/07/17/1066060717.db2.gz JSTKRBGOJNNOCM-UHFFFAOYSA-N 0 0 457.578 4.853 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1OCc1ccncc1 ZINC001441685294 1066061143 /nfs/dbraw/zinc/06/11/43/1066061143.db2.gz GTWNMLNYVIJOOJ-XGARDCMYSA-N 0 0 481.593 4.634 20 0 JJADRN CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1C ZINC001441687496 1066061241 /nfs/dbraw/zinc/06/12/41/1066061241.db2.gz AWZLDTGQEDFASG-QFIPXVFZSA-N 0 0 456.633 4.601 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)c(Cl)c1 ZINC001441691625 1066061728 /nfs/dbraw/zinc/06/17/28/1066061728.db2.gz ICSDVVUDAFFGSX-UHFFFAOYSA-N 0 0 458.868 4.943 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001360907625 1066061947 /nfs/dbraw/zinc/06/19/47/1066061947.db2.gz MENXUSVCBPWROD-SFHVURJKSA-N 0 0 487.695 4.684 20 0 JJADRN Cc1nc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)C)CC2)sc1C ZINC001360907579 1066062141 /nfs/dbraw/zinc/06/21/41/1066062141.db2.gz KHHBLROKURLCOQ-UHFFFAOYSA-N 0 0 459.063 4.968 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1OCc1ccncc1 ZINC001441694460 1066062177 /nfs/dbraw/zinc/06/21/77/1066062177.db2.gz ZFRWDZJESMMYPZ-MZNJEOGPSA-N 0 0 453.970 4.803 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H]1CC=CCC1 ZINC001360907877 1066062310 /nfs/dbraw/zinc/06/23/10/1066062310.db2.gz SZMDTJCMSWADHB-HSALFYBXSA-N 0 0 499.706 4.991 20 0 JJADRN CCOc1cc(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)ccc1OC(F)F ZINC001441697126 1066062406 /nfs/dbraw/zinc/06/24/06/1066062406.db2.gz UMJVGBOZIDLSKL-UHFFFAOYSA-N 0 0 453.283 4.789 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)c1cc2c(cc1O)CCCC2)Nc1ccccc1F ZINC001441703116 1066063019 /nfs/dbraw/zinc/06/30/19/1066063019.db2.gz NMWQKUHPFCVLLA-UHFFFAOYSA-N 0 0 450.485 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC001441711107 1066063472 /nfs/dbraw/zinc/06/34/72/1066063472.db2.gz HFVVBFZDIUKQIB-NRFANRHFSA-N 0 0 455.530 4.639 20 0 JJADRN COc1c(F)cc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)c(N)c1F ZINC001441721527 1066063636 /nfs/dbraw/zinc/06/36/36/1066063636.db2.gz BSZWECODZFKDGB-UHFFFAOYSA-N 0 0 454.296 4.618 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001441715846 1066063672 /nfs/dbraw/zinc/06/36/72/1066063672.db2.gz NCVHQRFSLWUMSC-UHFFFAOYSA-N 0 0 456.539 4.926 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCc1cc(F)cc(F)c1 ZINC001360908589 1066064209 /nfs/dbraw/zinc/06/42/09/1066064209.db2.gz MWLBTHAAKODFMP-UHFFFAOYSA-N 0 0 490.624 4.550 20 0 JJADRN CCCOc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001441721900 1066064107 /nfs/dbraw/zinc/06/41/07/1066064107.db2.gz DOWPXMAGKPNEJV-UHFFFAOYSA-N 0 0 453.004 4.733 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCCCO1 ZINC001360908650 1066064394 /nfs/dbraw/zinc/06/43/94/1066064394.db2.gz OMPQBSSELIABJE-MRXNPFEDSA-N 0 0 451.518 4.945 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CC(=O)NCC1CC1 ZINC001360908790 1066064553 /nfs/dbraw/zinc/06/45/53/1066064553.db2.gz QFEKOUYIGPBGMR-UHFFFAOYSA-N 0 0 466.655 4.774 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC(O)C1 ZINC001441732114 1066064797 /nfs/dbraw/zinc/06/47/97/1066064797.db2.gz JYDWFSZAPYRLAY-UHFFFAOYSA-N 0 0 459.612 4.712 20 0 JJADRN Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)nn1-c1ccc(Br)cc1 ZINC001441734662 1066065240 /nfs/dbraw/zinc/06/52/40/1066065240.db2.gz PVWYAKBQQJDVIR-UHFFFAOYSA-N 0 0 459.369 4.807 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1c(F)cc(Br)cc1F ZINC001360909483 1066065604 /nfs/dbraw/zinc/06/56/04/1066065604.db2.gz STYFTBHADOHTBM-UHFFFAOYSA-N 0 0 451.223 4.590 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCS(C)(=O)=O ZINC001360910241 1066065698 /nfs/dbraw/zinc/06/56/98/1066065698.db2.gz ADUAVSMXTPWEII-UHFFFAOYSA-N 0 0 485.679 4.604 20 0 JJADRN Cc1cc(Cc2cnc(NC(=O)C[C@H]3NC(=O)c4ccccc43)s2)ccc1Br ZINC001441740480 1066066040 /nfs/dbraw/zinc/06/60/40/1066066040.db2.gz UXDNWZFGLWYXEM-GOSISDBHSA-N 0 0 456.365 4.618 20 0 JJADRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)s1 ZINC001441740618 1066066049 /nfs/dbraw/zinc/06/60/49/1066066049.db2.gz VFYICVXSSJZZAD-HOTGVXAUSA-N 0 0 456.999 4.957 20 0 JJADRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)s1 ZINC001441740625 1066066103 /nfs/dbraw/zinc/06/61/03/1066066103.db2.gz VFYICVXSSJZZAD-HZPDHXFCSA-N 0 0 456.999 4.957 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001441738454 1066066133 /nfs/dbraw/zinc/06/61/33/1066066133.db2.gz DTCKWLFCPVBNKE-GOSISDBHSA-N 0 0 456.593 4.707 20 0 JJADRN Cc1cc(Cc2cnc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)s2)ccc1Br ZINC001441740490 1066066239 /nfs/dbraw/zinc/06/62/39/1066066239.db2.gz UXDNWZFGLWYXEM-SFHVURJKSA-N 0 0 456.365 4.618 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCSCCCO ZINC001360910616 1066066987 /nfs/dbraw/zinc/06/69/87/1066066987.db2.gz LDQLCNDUNDJHFZ-IAGOWNOFSA-N 0 0 489.736 4.823 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C)(C)CC2)n1CCSCC(C)C ZINC001360910680 1066067178 /nfs/dbraw/zinc/06/71/78/1066067178.db2.gz MTXWIEHJHXFVJL-UHFFFAOYSA-N 0 0 478.732 4.562 20 0 JJADRN COc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OCCO ZINC001441744735 1066067460 /nfs/dbraw/zinc/06/74/60/1066067460.db2.gz FAWHTQHMTHVHPM-UHFFFAOYSA-N 0 0 453.347 4.673 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)C(C)C ZINC001360911115 1066067906 /nfs/dbraw/zinc/06/79/06/1066067906.db2.gz XGIIMNMZGSBNDN-QGZVFWFLSA-N 0 0 482.645 4.710 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCOC(C)(C)C ZINC001360911203 1066068193 /nfs/dbraw/zinc/06/81/93/1066068193.db2.gz YICYFWYIUXTGHO-QGZVFWFLSA-N 0 0 495.571 4.960 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001360911315 1066068341 /nfs/dbraw/zinc/06/83/41/1066068341.db2.gz HHIRMRYGPQGVQG-UHFFFAOYSA-N 0 0 487.446 4.766 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001360911895 1066069086 /nfs/dbraw/zinc/06/90/86/1066069086.db2.gz ZSVMZLONRKIEBE-HOTGVXAUSA-N 0 0 462.570 4.541 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)n1 ZINC001441771062 1066069114 /nfs/dbraw/zinc/06/91/14/1066069114.db2.gz JUUXKGQGEDZBGB-GBXCKJPGSA-N 0 0 455.558 4.602 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360912993 1066069909 /nfs/dbraw/zinc/06/99/09/1066069909.db2.gz JAMVNSPEEWRZMH-HUUCEWRRSA-N 0 0 475.410 4.993 20 0 JJADRN Cc1nc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)sc1Cc1ccccc1F ZINC001441795459 1066069851 /nfs/dbraw/zinc/06/98/51/1066069851.db2.gz VIFKEKBCOGJLEB-UHFFFAOYSA-N 0 0 451.445 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCCCCOCCc2ccccc2)C1 ZINC001441792849 1066069865 /nfs/dbraw/zinc/06/98/65/1066069865.db2.gz LQSPQOLPQFOOIL-XMMPIXPASA-N 0 0 452.595 4.677 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545944593 1066070261 /nfs/dbraw/zinc/07/02/61/1066070261.db2.gz NGRULIMJUAEHGB-HDICACEKSA-N 0 0 489.611 4.664 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001360913709 1066070285 /nfs/dbraw/zinc/07/02/85/1066070285.db2.gz GYLCHJRXOUZZPJ-HOKHCIIBSA-N 0 0 454.636 4.699 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001360914839 1066071024 /nfs/dbraw/zinc/07/10/24/1066071024.db2.gz PFGOYDCICRLMSL-NOZRDPDXSA-N 0 0 450.631 4.745 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001492597761 1066071103 /nfs/dbraw/zinc/07/11/03/1066071103.db2.gz GAGIRRSRQGTCEB-AZUAARDMSA-N 0 0 455.628 4.677 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001441808972 1066071099 /nfs/dbraw/zinc/07/10/99/1066071099.db2.gz IRJYCAGWMDEJDA-UHFFFAOYSA-N 0 0 458.002 4.935 20 0 JJADRN CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441809017 1066071156 /nfs/dbraw/zinc/07/11/56/1066071156.db2.gz IYKQQGBVIZEOIG-OALUTQOASA-N 0 0 458.400 4.599 20 0 JJADRN CCCOc1ccc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1Cl ZINC001441810796 1066071430 /nfs/dbraw/zinc/07/14/30/1066071430.db2.gz BMPXIVRDCZJDQQ-KDURUIRLSA-N 0 0 453.926 4.659 20 0 JJADRN C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC001360915355 1066071567 /nfs/dbraw/zinc/07/15/67/1066071567.db2.gz DWGPCWQKQABSIR-CYBMUJFWSA-N 0 0 450.461 4.754 20 0 JJADRN Cc1c(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1N1CCOC1=O ZINC001360915966 1066071735 /nfs/dbraw/zinc/07/17/35/1066071735.db2.gz WNIINJMPCFJBRE-FQEVSTJZSA-N 0 0 453.539 4.936 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc3n[nH]nc3cc2F)ccc1Cl ZINC001441813950 1066071910 /nfs/dbraw/zinc/07/19/10/1066071910.db2.gz MJEKGNOKIBNYSM-UHFFFAOYSA-N 0 0 451.889 4.665 20 0 JJADRN Cc1n[nH]cc1CCCn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001360916531 1066072262 /nfs/dbraw/zinc/07/22/62/1066072262.db2.gz PSEGUQPYNMMHSP-FQEVSTJZSA-N 0 0 487.446 4.580 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001441813877 1066072475 /nfs/dbraw/zinc/07/24/75/1066072475.db2.gz QLBNIRYQAXJJFW-AWEZNQCLSA-N 0 0 458.946 4.797 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC001441815689 1066072543 /nfs/dbraw/zinc/07/25/43/1066072543.db2.gz KCFFCQYSUMOKDG-UHFFFAOYSA-N 0 0 452.374 4.980 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccc(Nc3nccs3)cc2F)C1 ZINC001441813804 1066072561 /nfs/dbraw/zinc/07/25/61/1066072561.db2.gz PQJXXUHTTHHCAZ-ZDUSSCGKSA-N 0 0 459.934 4.565 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC001441817347 1066072980 /nfs/dbraw/zinc/07/29/80/1066072980.db2.gz OWWDLERCUFVOBJ-QHCPKHFHSA-N 0 0 454.567 4.899 20 0 JJADRN CCCc1sc(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1CC ZINC001360917766 1066072979 /nfs/dbraw/zinc/07/29/79/1066072979.db2.gz WTJSKTRECIZZEP-UHFFFAOYSA-N 0 0 458.605 4.784 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001360917966 1066073008 /nfs/dbraw/zinc/07/30/08/1066073008.db2.gz FVFUSFUFJKUYFT-PMACEKPBSA-N 0 0 488.629 4.800 20 0 JJADRN CC[C@H](C)[C@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001360917793 1066073094 /nfs/dbraw/zinc/07/30/94/1066073094.db2.gz XGJKAKQYGAAYPY-MBSDFSHPSA-N 0 0 452.576 4.724 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCc2cc(F)ccc2Br)cc1 ZINC001441818129 1066073101 /nfs/dbraw/zinc/07/31/01/1066073101.db2.gz GRLLBGWMXVPSPJ-UHFFFAOYSA-N 0 0 451.336 4.585 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001441820840 1066073309 /nfs/dbraw/zinc/07/33/09/1066073309.db2.gz PZTQQBDZCUYKCV-KOIKSQSCSA-N 0 0 455.599 4.843 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360917968 1066073345 /nfs/dbraw/zinc/07/33/45/1066073345.db2.gz FVFUSFUFJKUYFT-VQTJNVASSA-N 0 0 488.629 4.800 20 0 JJADRN Cc1ncsc1CCn1c(C(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360918087 1066073483 /nfs/dbraw/zinc/07/34/83/1066073483.db2.gz IIBCULFXRHSYPE-SJLPKXTDSA-N 0 0 462.664 4.539 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360918244 1066073858 /nfs/dbraw/zinc/07/38/58/1066073858.db2.gz MTJOCUMTUNUAJV-IKGGRYGDSA-N 0 0 461.632 4.895 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)cc1 ZINC001441820910 1066073886 /nfs/dbraw/zinc/07/38/86/1066073886.db2.gz QENHGWQLYFSDKM-RXVVDRJESA-N 0 0 455.599 4.819 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)cc1 ZINC001441820907 1066073938 /nfs/dbraw/zinc/07/39/38/1066073938.db2.gz QENHGWQLYFSDKM-NQIIRXRSSA-N 0 0 455.599 4.819 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1 ZINC001360918418 1066074324 /nfs/dbraw/zinc/07/43/24/1066074324.db2.gz RMQKTSDFODKHQF-UHFFFAOYSA-N 0 0 471.428 4.690 20 0 JJADRN O=C(CCCC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC001441824996 1066074564 /nfs/dbraw/zinc/07/45/64/1066074564.db2.gz VHPZATHHCUZXEB-IBGZPJMESA-N 0 0 458.352 4.937 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001360918921 1066074595 /nfs/dbraw/zinc/07/45/95/1066074595.db2.gz FLPIFAAWKZLJBV-LJQANCHMSA-N 0 0 454.573 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC001441850348 1066074929 /nfs/dbraw/zinc/07/49/29/1066074929.db2.gz ADXCNZMERBJNHX-LJQANCHMSA-N 0 0 457.958 4.714 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC(C)C)C(C)C ZINC001360919784 1066075030 /nfs/dbraw/zinc/07/50/30/1066075030.db2.gz BAULANGSLWKHHZ-UHFFFAOYSA-N 0 0 460.669 4.832 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001441844744 1066075050 /nfs/dbraw/zinc/07/50/50/1066075050.db2.gz SXNXTTQPOQRTFU-UHFFFAOYSA-N 0 0 452.527 4.597 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCCCS1 ZINC001545944818 1066075458 /nfs/dbraw/zinc/07/54/58/1066075458.db2.gz VYUSYYGETRDSDA-VOQZNFBZSA-N 0 0 489.661 4.588 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360919841 1066075585 /nfs/dbraw/zinc/07/55/85/1066075585.db2.gz CRWLGVSEVOZSOH-HNNXBMFYSA-N 0 0 484.979 4.679 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3c3ccccc3Cl)cs2)c1 ZINC001441870923 1066075717 /nfs/dbraw/zinc/07/57/17/1066075717.db2.gz UFFBWNVNDLDCLZ-LJQANCHMSA-N 0 0 455.967 4.969 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001360920055 1066075907 /nfs/dbraw/zinc/07/59/07/1066075907.db2.gz MCQCZIQQGQUEKP-UHFFFAOYSA-N 0 0 490.471 4.671 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001360920103 1066076000 /nfs/dbraw/zinc/07/60/00/1066076000.db2.gz NVYXZGIBUCYDSR-UHFFFAOYSA-N 0 0 450.381 4.701 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874133 1066076136 /nfs/dbraw/zinc/07/61/36/1066076136.db2.gz ZETSSTYCKRMWKA-SQJMNOBHSA-N 0 0 459.590 4.901 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360920205 1066076351 /nfs/dbraw/zinc/07/63/51/1066076351.db2.gz RGRMWWKDMIHHSB-BETUJISGSA-N 0 0 452.962 4.729 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)no1 ZINC001441880023 1066076685 /nfs/dbraw/zinc/07/66/85/1066076685.db2.gz DUVQQVZHRUKNSD-UHFFFAOYSA-N 0 0 451.907 4.818 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC001441880446 1066076816 /nfs/dbraw/zinc/07/68/16/1066076816.db2.gz CULBEWVWUOUTSN-RLWLMLJZSA-N 0 0 457.615 4.905 20 0 JJADRN Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)c(Cl)c4)cc3)cc2o1 ZINC001441883373 1066077368 /nfs/dbraw/zinc/07/73/68/1066077368.db2.gz KSDVOJXHVUGDGO-UHFFFAOYSA-N 0 0 459.886 4.982 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360921127 1066077485 /nfs/dbraw/zinc/07/74/85/1066077485.db2.gz BQDLXKMTRQOADK-HNNXBMFYSA-N 0 0 466.405 4.519 20 0 JJADRN Cc1ncsc1CCn1c(C2CC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360921207 1066077603 /nfs/dbraw/zinc/07/76/03/1066077603.db2.gz DZCHZZYXROHTCN-QGZVFWFLSA-N 0 0 496.628 4.634 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360922845 1066078279 /nfs/dbraw/zinc/07/82/79/1066078279.db2.gz DXEMRGUWILSSRH-GGPKGHCWSA-N 0 0 489.686 4.681 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360923219 1066078705 /nfs/dbraw/zinc/07/87/05/1066078705.db2.gz NKUVMVOWDMTVEX-LJQANCHMSA-N 0 0 461.676 4.925 20 0 JJADRN CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC001441892709 1066079145 /nfs/dbraw/zinc/07/91/45/1066079145.db2.gz MFEGSURZPVVLMR-UHFFFAOYSA-N 0 0 450.539 4.706 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001360923532 1066079501 /nfs/dbraw/zinc/07/95/01/1066079501.db2.gz WEKGMXJTLDJXAA-LJQANCHMSA-N 0 0 486.642 4.630 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001360923669 1066079872 /nfs/dbraw/zinc/07/98/72/1066079872.db2.gz ZIMUPYCXWBYAIH-QHCPKHFHSA-N 0 0 471.646 4.963 20 0 JJADRN C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC001441894271 1066080136 /nfs/dbraw/zinc/08/01/36/1066080136.db2.gz SOQXMAZJRGKDGY-SFHLNBCPSA-N 0 0 453.583 4.731 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCc2ccc(OCc3ccccn3)cc2)CCC1 ZINC001441895954 1066080249 /nfs/dbraw/zinc/08/02/49/1066080249.db2.gz WRBZEPLXCRVLRH-UHFFFAOYSA-N 0 0 451.567 4.599 20 0 JJADRN Cc1ccsc1CCn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001360924272 1066080333 /nfs/dbraw/zinc/08/03/33/1066080333.db2.gz LRVZVIXHGPPTLO-UHFFFAOYSA-N 0 0 495.693 4.981 20 0 JJADRN Cc1ccsc1CCn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360924512 1066080584 /nfs/dbraw/zinc/08/05/84/1066080584.db2.gz QSFPMCHIVSBMFR-UHFFFAOYSA-N 0 0 496.681 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC001441917121 1066080917 /nfs/dbraw/zinc/08/09/17/1066080917.db2.gz LJSWBAWWKKILDA-UHFFFAOYSA-N 0 0 459.587 4.785 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360924852 1066080987 /nfs/dbraw/zinc/08/09/87/1066080987.db2.gz YPIWEXBCXQGDBL-FQEVSTJZSA-N 0 0 460.047 4.781 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)n1ccc2ccccc2c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441929713 1066081264 /nfs/dbraw/zinc/08/12/64/1066081264.db2.gz NCBZAVOWQILMBI-QZTJIDSGSA-N 0 0 457.505 4.831 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001360925477 1066081414 /nfs/dbraw/zinc/08/14/14/1066081414.db2.gz GRJKXHBIRLJXQV-YWZLYKJASA-N 0 0 456.391 4.603 20 0 JJADRN COc1cccc(Oc2ccc(NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001441928463 1066081462 /nfs/dbraw/zinc/08/14/62/1066081462.db2.gz FIKUSBGGOIEKEP-JOCHJYFZSA-N 0 0 456.539 4.842 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(I)c(F)c2)cc1 ZINC001360925552 1066081545 /nfs/dbraw/zinc/08/15/45/1066081545.db2.gz JRRFAAJIQWLAOU-LPHOPBHVSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(I)c(F)c2)cc1 ZINC001360925553 1066081581 /nfs/dbraw/zinc/08/15/81/1066081581.db2.gz JRRFAAJIQWLAOU-QFBILLFUSA-N 0 0 453.295 4.636 20 0 JJADRN CCOCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 ZINC001360925521 1066081593 /nfs/dbraw/zinc/08/15/93/1066081593.db2.gz IRHVZFNRGQMCJC-UHFFFAOYSA-N 0 0 450.560 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC001441932461 1066081793 /nfs/dbraw/zinc/08/17/93/1066081793.db2.gz QYXNMVGQYJGUGN-UHFFFAOYSA-N 0 0 453.539 4.518 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3nc(C(F)(F)F)cs3)cc12 ZINC001360926061 1066082333 /nfs/dbraw/zinc/08/23/33/1066082333.db2.gz VUDCZMRYWDDOEL-UHFFFAOYSA-N 0 0 450.511 4.902 20 0 JJADRN Cc1ccsc1CCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 ZINC001360926105 1066082587 /nfs/dbraw/zinc/08/25/87/1066082587.db2.gz HJKQPNVNVRNVKR-UHFFFAOYSA-N 0 0 454.987 4.550 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)OC1CCCC1 ZINC001360926545 1066083036 /nfs/dbraw/zinc/08/30/36/1066083036.db2.gz SLNRSQNRKWXSOC-HDICACEKSA-N 0 0 475.659 4.972 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)c4cc(NC(=O)OC(C)(C)C)n(C)n4)CC3)c[nH]c21 ZINC001441959122 1066082958 /nfs/dbraw/zinc/08/29/58/1066082958.db2.gz VPZATPFMFZWCJQ-UHFFFAOYSA-N 0 0 451.571 4.831 20 0 JJADRN Cc1nnc(NC(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001441969661 1066083625 /nfs/dbraw/zinc/08/36/25/1066083625.db2.gz YKWPHJUBVGBLHI-NRFANRHFSA-N 0 0 450.564 4.691 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001441976770 1066083653 /nfs/dbraw/zinc/08/36/53/1066083653.db2.gz CBSQLHRQUWVBKL-UHFFFAOYSA-N 0 0 451.542 4.791 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001360927929 1066083827 /nfs/dbraw/zinc/08/38/27/1066083827.db2.gz RKYBYGPKQDGBAH-GOSISDBHSA-N 0 0 456.720 4.914 20 0 JJADRN O=C(c1ccccc1NCc1ccco1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441983510 1066084029 /nfs/dbraw/zinc/08/40/29/1066084029.db2.gz ODJBXCSGMNIXKT-UHFFFAOYSA-N 0 0 458.345 4.797 20 0 JJADRN Cc1nc2ncnn2c(C)c1CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001360928483 1066084359 /nfs/dbraw/zinc/08/43/59/1066084359.db2.gz IUDOBYOLELAQMR-UHFFFAOYSA-N 0 0 459.516 4.711 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)c1cc(C)cc(C)c1 ZINC001441993239 1066084806 /nfs/dbraw/zinc/08/48/06/1066084806.db2.gz WUIGQRWLYBKSCX-JOCHJYFZSA-N 0 0 451.567 4.748 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 ZINC001360929574 1066085779 /nfs/dbraw/zinc/08/57/79/1066085779.db2.gz JQRPLEFQBTXMHQ-HZPDHXFCSA-N 0 0 479.672 4.807 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([S@@](C)=O)CC1 ZINC001360929809 1066086276 /nfs/dbraw/zinc/08/62/76/1066086276.db2.gz MWSJDOBOMYENFF-RKXCMPKHSA-N 0 0 463.003 4.520 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)Cc1cccs1 ZINC001360930060 1066086485 /nfs/dbraw/zinc/08/64/85/1066086485.db2.gz RNZYAGBKVDTPAJ-HXOBKFHXSA-N 0 0 475.684 4.660 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)s1 ZINC001442026882 1066086506 /nfs/dbraw/zinc/08/65/06/1066086506.db2.gz ZZBCUCSNLARSKM-UHFFFAOYSA-N 0 0 455.584 4.705 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1C ZINC001442026429 1066086571 /nfs/dbraw/zinc/08/65/71/1066086571.db2.gz XATWPELGQBEVRI-UHFFFAOYSA-N 0 0 459.331 4.804 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)cnn1C ZINC001360930298 1066086633 /nfs/dbraw/zinc/08/66/33/1066086633.db2.gz SOPRYWKKTLBGSO-QGZVFWFLSA-N 0 0 454.575 4.540 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC001442031182 1066086850 /nfs/dbraw/zinc/08/68/50/1066086850.db2.gz KIKDPOBZURFOAV-FQEVSTJZSA-N 0 0 451.007 4.684 20 0 JJADRN CC(C)(C(=O)NCc1cccnc1-n1cccn1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001442034994 1066086876 /nfs/dbraw/zinc/08/68/76/1066086876.db2.gz ZYQOBSJDVWRMRN-UHFFFAOYSA-N 0 0 455.946 4.777 20 0 JJADRN Cc1cc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)ccc1NC(=O)c1ccco1 ZINC001442042217 1066087274 /nfs/dbraw/zinc/08/72/74/1066087274.db2.gz USDQFXNNLNFBSP-CJLVFECKSA-N 0 0 455.470 4.843 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442043008 1066087288 /nfs/dbraw/zinc/08/72/88/1066087288.db2.gz FRXULPOZFQLSJF-SFHVURJKSA-N 0 0 457.412 4.740 20 0 JJADRN CCCN(C(=O)CCCn1c(C)cc(=O)cc1C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930915 1066087487 /nfs/dbraw/zinc/08/74/87/1066087487.db2.gz JYRCZDCYDGXMCK-SANMLTNESA-N 0 0 453.533 4.947 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442043002 1066087370 /nfs/dbraw/zinc/08/73/70/1066087370.db2.gz FRXULPOZFQLSJF-GOSISDBHSA-N 0 0 457.412 4.740 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1OC(F)(F)F ZINC001442045288 1066087897 /nfs/dbraw/zinc/08/78/97/1066087897.db2.gz IEIQBVZUQCDDGK-CQSZACIVSA-N 0 0 457.290 4.912 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)c(F)cc2I)s1 ZINC001360931706 1066088036 /nfs/dbraw/zinc/08/80/36/1066088036.db2.gz UIGZBZOATQAPHJ-VIFPVBQESA-N 0 0 450.292 4.730 20 0 JJADRN Cc1cc(C)cc(N2CC[C@@H](C(=O)NCC3(c4cccc(Br)c4)CCC3)C2=O)c1 ZINC001442059316 1066088296 /nfs/dbraw/zinc/08/82/96/1066088296.db2.gz AFAHTNOAUWCASM-NRFANRHFSA-N 0 0 455.396 4.657 20 0 JJADRN CCCN(C(=O)CCc1nc(-c2ccoc2)no1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360931893 1066088583 /nfs/dbraw/zinc/08/85/83/1066088583.db2.gz XSMRNRJDSVMABM-QHCPKHFHSA-N 0 0 452.461 4.964 20 0 JJADRN COc1ccc(CCCN(C)C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001442065220 1066089275 /nfs/dbraw/zinc/08/92/75/1066089275.db2.gz ADQFFXZUMIALGP-UHFFFAOYSA-N 0 0 452.595 4.622 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(F)c1 ZINC001360932070 1066089456 /nfs/dbraw/zinc/08/94/56/1066089456.db2.gz DQKJMQVCBDURTH-UHFFFAOYSA-N 0 0 461.364 4.624 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCc1c[nH]nc1C ZINC001360932084 1066089493 /nfs/dbraw/zinc/08/94/93/1066089493.db2.gz DYZYDAVZSDSAPE-UHFFFAOYSA-N 0 0 473.553 4.612 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(F)CCC1 ZINC001360932314 1066089728 /nfs/dbraw/zinc/08/97/28/1066089728.db2.gz LBDHGEZKVLHASA-UHFFFAOYSA-N 0 0 450.356 4.866 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCO1 ZINC001360933204 1066091119 /nfs/dbraw/zinc/09/11/19/1066091119.db2.gz YMNNOGIQADRTLO-HXUWFJFHSA-N 0 0 480.407 4.817 20 0 JJADRN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1cccc(F)c1Sc1ccccc1)C2 ZINC001442085122 1066091873 /nfs/dbraw/zinc/09/18/73/1066091873.db2.gz STIXYBSIKRIIGA-UHFFFAOYSA-N 0 0 456.564 4.547 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1CCCCO1 ZINC001442086808 1066092246 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477.457 4.752 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCOCC1(C)C ZINC001360934740 1066093318 /nfs/dbraw/zinc/09/33/18/1066093318.db2.gz KGKFWANISJTTEA-UHFFFAOYSA-N 0 0 478.424 4.901 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N(C)CCCCCc3cc(-c4cccc(F)c4)n[nH]3)c2N1 ZINC001442105237 1066093753 /nfs/dbraw/zinc/09/37/53/1066093753.db2.gz JPHDWEUCIRBDLV-QVKFZJNVSA-N 0 0 474.531 4.908 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001442104569 1066093869 /nfs/dbraw/zinc/09/38/69/1066093869.db2.gz MMMLBFSHMBKGEY-HGFMEPNGSA-N 0 0 458.961 4.766 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCCNC(=O)OC(C)(C)C ZINC001360935023 1066094337 /nfs/dbraw/zinc/09/43/37/1066094337.db2.gz UXBYOAQMXXOHBM-UHFFFAOYSA-N 0 0 492.049 4.700 20 0 JJADRN CO[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1C(F)(F)F ZINC001442109596 1066094549 /nfs/dbraw/zinc/09/45/49/1066094549.db2.gz TUGXEEDAUIJPDV-ZWKOTPCHSA-N 0 0 458.274 4.756 20 0 JJADRN COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001442109683 1066094591 /nfs/dbraw/zinc/09/45/91/1066094591.db2.gz ZEQRFWJNRJSOHC-IBGZPJMESA-N 0 0 451.542 4.962 20 0 JJADRN CCOc1ccc(C2(CNC(=O)CN(Cc3ccccc3)c3ccccc3)CCOCC2)cc1 ZINC001442111552 1066095153 /nfs/dbraw/zinc/09/51/53/1066095153.db2.gz RSGIERQESVRBDG-UHFFFAOYSA-N 0 0 458.602 4.957 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Cl)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001360935338 1066095182 /nfs/dbraw/zinc/09/51/82/1066095182.db2.gz GXDUZQINWDPHFB-FQEVSTJZSA-N 0 0 497.949 4.790 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H](O)C1 ZINC001360935635 1066095491 /nfs/dbraw/zinc/09/54/91/1066095491.db2.gz RLRYURXFRGBOTE-WMZOPIPTSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc3cccnc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001360935833 1066095511 /nfs/dbraw/zinc/09/55/11/1066095511.db2.gz YQISTHYILBODJS-UHFFFAOYSA-N 0 0 476.581 4.898 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360935633 1066095602 /nfs/dbraw/zinc/09/56/02/1066095602.db2.gz RLRYURXFRGBOTE-FUHWJXTLSA-N 0 0 459.388 4.797 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)sc2C1 ZINC001360936134 1066095841 /nfs/dbraw/zinc/09/58/41/1066095841.db2.gz LETHZXSTUXWOHJ-DYVFJYSZSA-N 0 0 450.029 4.855 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCOc1cccc(Cl)c1Cl ZINC001442113202 1066095934 /nfs/dbraw/zinc/09/59/34/1066095934.db2.gz PVDMVNLNWACSNL-QGZVFWFLSA-N 0 0 457.785 4.987 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1nnc(C(F)F)s1 ZINC001442113549 1066096103 /nfs/dbraw/zinc/09/61/03/1066096103.db2.gz OZQFFSQWDGXRCM-UHFFFAOYSA-N 0 0 459.544 4.607 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC001442116271 1066096168 /nfs/dbraw/zinc/09/61/68/1066096168.db2.gz JAIVKPACKRTCJI-OAHLLOKOSA-N 0 0 459.812 4.751 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOc1cccc(Cl)c1Cl ZINC001442113303 1066096175 /nfs/dbraw/zinc/09/61/75/1066096175.db2.gz 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COc1ccc2c(c1)N(C(=O)c1cc(Br)c(C)cc1Br)C[C@H](C)O2 ZINC001360938436 1066097104 /nfs/dbraw/zinc/09/71/04/1066097104.db2.gz UXAQPGLXAPMJAE-NSHDSACASA-N 0 0 455.146 4.956 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001442149742 1066097552 /nfs/dbraw/zinc/09/75/52/1066097552.db2.gz JOUHLIFOTVSORD-HOTGVXAUSA-N 0 0 451.792 4.821 20 0 JJADRN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cnc(Cc2ccccc2)s1 ZINC001442144655 1066097605 /nfs/dbraw/zinc/09/76/05/1066097605.db2.gz FBYSXXANJKLSQU-KRWDZBQOSA-N 0 0 456.409 4.753 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c2ccc(F)cc2)cc1 ZINC001442141675 1066097703 /nfs/dbraw/zinc/09/77/03/1066097703.db2.gz AZSAVBPSQRIEEL-BHIFYINESA-N 0 0 456.558 4.979 20 0 JJADRN COc1ccc([C@@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)c2ccc(F)cc2)cc1 ZINC001442149676 1066097722 /nfs/dbraw/zinc/09/77/22/1066097722.db2.gz JGPQINTWIMUWFE-DEOSSOPVSA-N 0 0 453.583 4.717 20 0 JJADRN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001442149822 1066098010 /nfs/dbraw/zinc/09/80/10/1066098010.db2.gz KGSMXFIBDRHROH-OAHLLOKOSA-N 0 0 459.775 4.545 20 0 JJADRN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)n1 ZINC001442154317 1066098103 /nfs/dbraw/zinc/09/81/03/1066098103.db2.gz FZYFYDBCYGVYEU-INIZCTEOSA-N 0 0 450.926 4.581 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F ZINC001360941460 1066098342 /nfs/dbraw/zinc/09/83/42/1066098342.db2.gz QORIMEIYUUVKDF-UHFFFAOYSA-N 0 0 484.617 4.839 20 0 JJADRN COc1ccc2cccc(CC(=O)NC[C@H]3CCN(c4cccc(Br)c4)C3)c2c1 ZINC001442158453 1066098384 /nfs/dbraw/zinc/09/83/84/1066098384.db2.gz XBDJTYIZHYAITR-QGZVFWFLSA-N 0 0 453.380 4.796 20 0 JJADRN COc1ccc2cccc(CC(=O)NC[C@@H]3CCN(c4cccc(Br)c4)C3)c2c1 ZINC001442158445 1066098461 /nfs/dbraw/zinc/09/84/61/1066098461.db2.gz XBDJTYIZHYAITR-KRWDZBQOSA-N 0 0 453.380 4.796 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)o1 ZINC001360942507 1066098657 /nfs/dbraw/zinc/09/86/57/1066098657.db2.gz RPFMUWKHMJGTMD-QRWLVFNGSA-N 0 0 450.988 4.649 20 0 JJADRN CCc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)s1 ZINC001360943896 1066099052 /nfs/dbraw/zinc/09/90/52/1066099052.db2.gz XMACLLCMBPBLKP-UHFFFAOYSA-N 0 0 453.948 4.575 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1CCCCNC(=O)OC(C)(C)C ZINC001360944383 1066099479 /nfs/dbraw/zinc/09/94/79/1066099479.db2.gz VVSHNQJWVZBPFH-UHFFFAOYSA-N 0 0 450.653 4.573 20 0 JJADRN CC(C)COc1ccc(C2(C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)CCC2)cc1 ZINC001442180347 1066099502 /nfs/dbraw/zinc/09/95/02/1066099502.db2.gz HFQCZDZYBQRUGN-DEOSSOPVSA-N 0 0 450.579 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442186832 1066099918 /nfs/dbraw/zinc/09/99/18/1066099918.db2.gz QUJAQRFVBDGNMR-QGZVFWFLSA-N 0 0 458.546 4.943 20 0 JJADRN CCOc1cc(Br)c(NC(=O)c2cn(CC(F)(F)F)nc2C)cc1OCC ZINC001442187734 1066099937 /nfs/dbraw/zinc/09/99/37/1066099937.db2.gz WSLFYRIXTUACNM-UHFFFAOYSA-N 0 0 450.255 4.566 20 0 JJADRN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001442185118 1066099985 /nfs/dbraw/zinc/09/99/85/1066099985.db2.gz BTQQUKSUYNXIMZ-SFHVURJKSA-N 0 0 450.421 4.550 20 0 JJADRN CCc1nc(CN2CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)cs1 ZINC001442184602 1066100153 /nfs/dbraw/zinc/10/01/53/1066100153.db2.gz JJKDIGZHMRSXIV-QHCPKHFHSA-N 0 0 456.011 4.823 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)c2)n1 ZINC001442187729 1066100180 /nfs/dbraw/zinc/10/01/80/1066100180.db2.gz UDLYBIORFYQUSA-UHFFFAOYSA-N 0 0 450.905 4.745 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 ZINC001360944996 1066100175 /nfs/dbraw/zinc/10/01/75/1066100175.db2.gz QJTIYXDCXXGQFA-JOCHJYFZSA-N 0 0 474.055 4.893 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC001360946252 1066100602 /nfs/dbraw/zinc/10/06/02/1066100602.db2.gz GDSAERGBVSLOBW-QZTJIDSGSA-N 0 0 452.550 4.902 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1NC(=O)NC(C)(C)C ZINC001442191238 1066100607 /nfs/dbraw/zinc/10/06/07/1066100607.db2.gz MXVFHLPYFWRAGS-UHFFFAOYSA-N 0 0 450.583 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 ZINC001442189590 1066100645 /nfs/dbraw/zinc/10/06/45/1066100645.db2.gz JKGFYLVMGIXETC-UHFFFAOYSA-N 0 0 457.615 4.607 20 0 JJADRN C[C@]1(CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)NC(=O)NC1=O ZINC001442190269 1066101275 /nfs/dbraw/zinc/10/12/75/1066101275.db2.gz WBQSIOYPLUUDMT-HXUWFJFHSA-N 0 0 454.285 4.632 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442203702 1066101333 /nfs/dbraw/zinc/10/13/33/1066101333.db2.gz BGTSJQIWKBSYDC-UHFFFAOYSA-N 0 0 452.938 4.514 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC2CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001360947099 1066101917 /nfs/dbraw/zinc/10/19/17/1066101917.db2.gz YIUGYUPCRJOEHB-UHFFFAOYSA-N 0 0 451.518 4.621 20 0 JJADRN Cc1cc(C)cc(OCCNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001442207641 1066102032 /nfs/dbraw/zinc/10/20/32/1066102032.db2.gz GDVAVQKUDHKLEY-FQEVSTJZSA-N 0 0 458.558 4.726 20 0 JJADRN Cc1sc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)nc1-c1ccc(Cl)cc1 ZINC001442217337 1066103244 /nfs/dbraw/zinc/10/32/44/1066103244.db2.gz CHRMCRGFUPMVBK-CQSZACIVSA-N 0 0 459.946 4.937 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC001442215083 1066103270 /nfs/dbraw/zinc/10/32/70/1066103270.db2.gz UQDWNSKDBJHWKO-UHFFFAOYSA-N 0 0 456.167 4.744 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)cnn1C ZINC001360949308 1066103605 /nfs/dbraw/zinc/10/36/05/1066103605.db2.gz BUOVRNQSEWFCFL-HFZDXXHNSA-N 0 0 494.684 4.894 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1Cc1cc(C(C)(C)C)no1 ZINC001360949265 1066103690 /nfs/dbraw/zinc/10/36/90/1066103690.db2.gz ABWJFEVOBRCMGZ-UHFFFAOYSA-N 0 0 470.574 4.731 20 0 JJADRN CCCC1CCC(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001442223746 1066103732 /nfs/dbraw/zinc/10/37/32/1066103732.db2.gz UMHUHKIZHCGGQI-VCWRXUFXSA-N 0 0 456.656 4.811 20 0 JJADRN O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 ZINC001442220208 1066103753 /nfs/dbraw/zinc/10/37/53/1066103753.db2.gz VNTXGXVTFGXJKG-UHFFFAOYSA-N 0 0 456.974 4.764 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCCCC1=O ZINC001360949291 1066103755 /nfs/dbraw/zinc/10/37/55/1066103755.db2.gz BGMPBRFYKDQOMV-FYYLOGMGSA-N 0 0 471.646 4.527 20 0 JJADRN O=C(CCc1cc2ccccc2[nH]c1=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001442226953 1066104424 /nfs/dbraw/zinc/10/44/24/1066104424.db2.gz NBVPCBSIGRHOAP-UHFFFAOYSA-N 0 0 458.480 4.756 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC(C)C ZINC001360949444 1066104864 /nfs/dbraw/zinc/10/48/64/1066104864.db2.gz GUSWLBPMMABGIL-FQEVSTJZSA-N 0 0 461.607 4.703 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 ZINC001442231075 1066105048 /nfs/dbraw/zinc/10/50/48/1066105048.db2.gz HXURWTXTLOMJMK-OAQYLSRUSA-N 0 0 452.505 4.652 20 0 JJADRN CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)c1 ZINC001442228661 1066105085 /nfs/dbraw/zinc/10/50/85/1066105085.db2.gz WRJGRBRDZASMGH-UHFFFAOYSA-N 0 0 450.417 4.761 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1CCc1cccnc1 ZINC001360949601 1066105569 /nfs/dbraw/zinc/10/55/69/1066105569.db2.gz MDIXNOBQUYYNOZ-UHFFFAOYSA-N 0 0 499.438 4.659 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1 ZINC001442241136 1066106601 /nfs/dbraw/zinc/10/66/01/1066106601.db2.gz WSHMKQCEVDFXGR-ICSRJNTNSA-N 0 0 458.599 4.769 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)[nH]c1C ZINC001442238153 1066106660 /nfs/dbraw/zinc/10/66/60/1066106660.db2.gz ZZTLDRDZTAYHCM-XMMPIXPASA-N 0 0 454.530 4.899 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CCN(Cc2cscn2)CC1 ZINC001442240027 1066106696 /nfs/dbraw/zinc/10/66/96/1066106696.db2.gz TWJPZXZYFCHXGR-UHFFFAOYSA-N 0 0 454.440 4.654 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 ZINC001360949753 1066106829 /nfs/dbraw/zinc/10/68/29/1066106829.db2.gz RSINTSWMCHCLME-NRFANRHFSA-N 0 0 466.586 4.526 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC001442245292 1066107301 /nfs/dbraw/zinc/10/73/01/1066107301.db2.gz LAMZQMCWDFRSFZ-FQEVSTJZSA-N 0 0 454.885 4.994 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001360950009 1066107494 /nfs/dbraw/zinc/10/74/94/1066107494.db2.gz CACYLJVIASKXAN-KJJMTIBFSA-N 0 0 487.645 4.648 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCC1 ZINC001360949896 1066107557 /nfs/dbraw/zinc/10/75/57/1066107557.db2.gz XUGLZUBQLJYCCG-UHFFFAOYSA-N 0 0 469.655 4.861 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360950517 1066108061 /nfs/dbraw/zinc/10/80/61/1066108061.db2.gz NYZHHCQYJUETQQ-UHFFFAOYSA-N 0 0 469.508 4.629 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1c[nH]c2ncc(Br)cc12 ZINC001442248563 1066108440 /nfs/dbraw/zinc/10/84/40/1066108440.db2.gz MECAPXIKSGXBBB-CYBMUJFWSA-N 0 0 450.720 4.789 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC001442253445 1066108999 /nfs/dbraw/zinc/10/89/99/1066108999.db2.gz WVJUNYHZOVMSTP-JQHSSLGASA-N 0 0 452.979 4.920 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cnn1CC(C)C ZINC001360952932 1066109710 /nfs/dbraw/zinc/10/97/10/1066109710.db2.gz OKMMTPMZKQGGIS-DEOSSOPVSA-N 0 0 468.621 4.700 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442265311 1066110147 /nfs/dbraw/zinc/11/01/47/1066110147.db2.gz SFYLRASFYVGTIL-NRFANRHFSA-N 0 0 454.615 4.793 20 0 JJADRN O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CCN(CCc2cccs2)CC1 ZINC001442265131 1066110248 /nfs/dbraw/zinc/11/02/48/1066110248.db2.gz RTCHXULFVFSVLV-UHFFFAOYSA-N 0 0 450.482 4.907 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC001442266347 1066110823 /nfs/dbraw/zinc/11/08/23/1066110823.db2.gz QPEPUIDRVSOERY-KRWDZBQOSA-N 0 0 450.760 4.918 20 0 JJADRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)s1 ZINC001442268265 1066110853 /nfs/dbraw/zinc/11/08/53/1066110853.db2.gz YJMIGQMAXZYUHF-CXAGYDPISA-N 0 0 453.377 4.830 20 0 JJADRN COc1ccc(CCCNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001442282803 1066111275 /nfs/dbraw/zinc/11/12/75/1066111275.db2.gz HPFGHHZNKLCQNK-IBGZPJMESA-N 0 0 454.567 4.682 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360955550 1066111454 /nfs/dbraw/zinc/11/14/54/1066111454.db2.gz FCLRTCTWZIKTGT-VQIMIIECSA-N 0 0 474.606 4.549 20 0 JJADRN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442285638 1066111897 /nfs/dbraw/zinc/11/18/97/1066111897.db2.gz RQYSGBYMIYATMN-UHFFFAOYSA-N 0 0 450.485 4.532 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360955737 1066111949 /nfs/dbraw/zinc/11/19/49/1066111949.db2.gz HBWOJUXMJMQDIO-BBTUJRGHSA-N 0 0 499.587 4.856 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCCNC(=O)c1ccccc1)CCO2 ZINC001360955596 1066112006 /nfs/dbraw/zinc/11/20/06/1066112006.db2.gz URVXEVBZXILYBG-RUZDIDTESA-N 0 0 458.558 4.758 20 0 JJADRN CCN(CC(=O)N(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21)C(=O)OC(C)(C)C ZINC001360955720 1066112020 /nfs/dbraw/zinc/11/20/20/1066112020.db2.gz VQQSMCINWSTQNB-QFIPXVFZSA-N 0 0 454.567 4.805 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360955680 1066112031 /nfs/dbraw/zinc/11/20/31/1066112031.db2.gz GXUZKPVRDUCZOZ-OALUTQOASA-N 0 0 486.016 4.714 20 0 JJADRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC001442292342 1066112461 /nfs/dbraw/zinc/11/24/61/1066112461.db2.gz HLGCKRLLBJMRHR-UHFFFAOYSA-N 0 0 451.836 4.767 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)CCCCNC(=O)OCc3ccccc3)n2)cc1 ZINC001360956258 1066112485 /nfs/dbraw/zinc/11/24/85/1066112485.db2.gz JIOPQUVHIWOVQA-UHFFFAOYSA-N 0 0 456.593 4.962 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 ZINC001360956413 1066112561 /nfs/dbraw/zinc/11/25/61/1066112561.db2.gz KZYISDWCBVWCQI-UHFFFAOYSA-N 0 0 459.618 4.896 20 0 JJADRN C[C@@](O)(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC001442296485 1066112580 /nfs/dbraw/zinc/11/25/80/1066112580.db2.gz MFKOKJCUWKCYAI-RDPSFJRHSA-N 0 0 454.339 4.970 20 0 JJADRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1ncoc1-c1ccccc1Cl ZINC001442298402 1066112810 /nfs/dbraw/zinc/11/28/10/1066112810.db2.gz UHWXVIBVTINSDZ-UHFFFAOYSA-N 0 0 459.377 4.591 20 0 JJADRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cccc2cccc(Br)c21 ZINC001360956662 1066112963 /nfs/dbraw/zinc/11/29/63/1066112963.db2.gz PJOXZKAOWKUSIJ-SFHVURJKSA-N 0 0 452.396 4.543 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)cnn1CC(C)C ZINC001360957164 1066113495 /nfs/dbraw/zinc/11/34/95/1066113495.db2.gz VJCPDINCTISDMR-IEBWSBKVSA-N 0 0 473.021 4.506 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360956799 1066113504 /nfs/dbraw/zinc/11/35/04/1066113504.db2.gz QMXUBLKEACRQMQ-UONOGXRCSA-N 0 0 468.961 4.761 20 0 JJADRN CCn1c(SCC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)nnc1-c1cccs1 ZINC001360957694 1066113928 /nfs/dbraw/zinc/11/39/28/1066113928.db2.gz NSYJCLKMCYRDCK-UHFFFAOYSA-N 0 0 458.609 4.642 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(Br)c1C(F)(F)F ZINC001360957632 1066113998 /nfs/dbraw/zinc/11/39/98/1066113998.db2.gz LXKVBIBUCLOZNP-UHFFFAOYSA-N 0 0 450.230 4.914 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](CC(C)C)n3ccnc3)cc2Cl)n1 ZINC001442301626 1066114016 /nfs/dbraw/zinc/11/40/16/1066114016.db2.gz ISNFYWFZMUWTNZ-DYESRHJHSA-N 0 0 456.978 4.775 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360957327 1066114060 /nfs/dbraw/zinc/11/40/60/1066114060.db2.gz ZNTBMTQUDIDCIG-SFHVURJKSA-N 0 0 485.629 4.716 20 0 JJADRN Cc1c(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2nccs2)cnn1CC(C)C ZINC001360957859 1066114439 /nfs/dbraw/zinc/11/44/39/1066114439.db2.gz CFYCKFUJDYAQQX-UHFFFAOYSA-N 0 0 456.019 4.901 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)(F)F)cc1OC ZINC001360958336 1066115176 /nfs/dbraw/zinc/11/51/76/1066115176.db2.gz BFUMUTFMPDXLCJ-UHFFFAOYSA-N 0 0 455.429 4.854 20 0 JJADRN Cc1c(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCC(F)F)cnn1CC(C)C ZINC001360958712 1066115567 /nfs/dbraw/zinc/11/55/67/1066115567.db2.gz SFJZGFZFTUJODJ-UHFFFAOYSA-N 0 0 468.556 4.636 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001360958635 1066115628 /nfs/dbraw/zinc/11/56/28/1066115628.db2.gz PTQHYCIEBSGPHG-UHFFFAOYSA-N 0 0 472.565 4.951 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001360959375 1066116187 /nfs/dbraw/zinc/11/61/87/1066116187.db2.gz AHRZBPKOVCNZHX-UHFFFAOYSA-N 0 0 463.626 4.935 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001360959391 1066116297 /nfs/dbraw/zinc/11/62/97/1066116297.db2.gz AQBIQOOMBRKING-OAHLLOKOSA-N 0 0 461.433 4.788 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001442325667 1066116465 /nfs/dbraw/zinc/11/64/65/1066116465.db2.gz GDVGIGQBFKPXOV-DNVCBOLYSA-N 0 0 450.564 4.919 20 0 JJADRN C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC001442333582 1066116939 /nfs/dbraw/zinc/11/69/39/1066116939.db2.gz DXXQQQUEHFIJAN-ARNIEWOOSA-N 0 0 455.599 4.559 20 0 JJADRN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329938 1066117095 /nfs/dbraw/zinc/11/70/95/1066117095.db2.gz TZZJTFRJKDBLPZ-ZNMIVQPWSA-N 0 0 454.423 4.831 20 0 JJADRN Cc1ccoc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360959690 1066117169 /nfs/dbraw/zinc/11/71/69/1066117169.db2.gz LSXANNTVWKNGKG-UHFFFAOYSA-N 0 0 477.011 4.650 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC(F)C1 ZINC001360959591 1066117176 /nfs/dbraw/zinc/11/71/76/1066117176.db2.gz IOQSRZIUJCKNHB-UHFFFAOYSA-N 0 0 485.814 4.754 20 0 JJADRN COc1cc(/C=C(\C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)ccc1O ZINC001442336500 1066117672 /nfs/dbraw/zinc/11/76/72/1066117672.db2.gz NQQOKDKDFBJWLA-RJDQKLELSA-N 0 0 456.542 4.946 20 0 JJADRN COc1cc(/C=C(/C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)ccc1O ZINC001442336487 1066117695 /nfs/dbraw/zinc/11/76/95/1066117695.db2.gz NQQOKDKDFBJWLA-QUESDIRFSA-N 0 0 456.542 4.946 20 0 JJADRN Cc1ccoc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360960086 1066118136 /nfs/dbraw/zinc/11/81/36/1066118136.db2.gz ZHXVAMRCQLJKBW-QGZVFWFLSA-N 0 0 489.523 4.600 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360960055 1066118238 /nfs/dbraw/zinc/11/82/38/1066118238.db2.gz XSLQRZBJXBOVDU-QMTHXVAHSA-N 0 0 487.349 4.550 20 0 JJADRN O=C(c1ccc(Oc2ccc(Cl)cc2Cl)cc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC001442340953 1066118353 /nfs/dbraw/zinc/11/83/53/1066118353.db2.gz BLXSGOQXWMLRNN-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360960121 1066118555 /nfs/dbraw/zinc/11/85/55/1066118555.db2.gz AVJBLQBBDARYDN-CQSZACIVSA-N 0 0 464.422 4.762 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001360960347 1066119052 /nfs/dbraw/zinc/11/90/52/1066119052.db2.gz JXYMRMUCUQTQPQ-UHFFFAOYSA-N 0 0 461.035 4.838 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1)OC ZINC001545948470 1066119088 /nfs/dbraw/zinc/11/90/88/1066119088.db2.gz RRGQUHMCKZOHMM-PMACEKPBSA-N 0 0 474.030 4.690 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCOC1 ZINC001360960371 1066119117 /nfs/dbraw/zinc/11/91/17/1066119117.db2.gz KMTVNMRJEMRZIN-OAHLLOKOSA-N 0 0 463.351 4.659 20 0 JJADRN C[C@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)NC(C)(C)C ZINC001442350933 1066119234 /nfs/dbraw/zinc/11/92/34/1066119234.db2.gz IMTQAZCZCCUODA-LBPRGKRZSA-N 0 0 451.354 4.670 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360960547 1066119711 /nfs/dbraw/zinc/11/97/11/1066119711.db2.gz PZYNDODONONQOQ-INIZCTEOSA-N 0 0 461.271 4.969 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001360960531 1066119731 /nfs/dbraw/zinc/11/97/31/1066119731.db2.gz PHRKHSJSRNDDPI-CALCHBBNSA-N 0 0 478.424 4.747 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001360960583 1066119767 /nfs/dbraw/zinc/11/97/67/1066119767.db2.gz RLRYZXAHSCPKKN-GOSISDBHSA-N 0 0 455.990 4.537 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(F)(F)F)cnn1CC(C)C ZINC001360960517 1066119773 /nfs/dbraw/zinc/11/97/73/1066119773.db2.gz OIBSUWYTIYUABD-UHFFFAOYSA-N 0 0 458.891 4.945 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001360960671 1066120154 /nfs/dbraw/zinc/12/01/54/1066120154.db2.gz VLTSJOIIPUIHER-UHFFFAOYSA-N 0 0 450.793 4.901 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360960659 1066120157 /nfs/dbraw/zinc/12/01/57/1066120157.db2.gz UYVDTDBNFPASJG-OAHLLOKOSA-N 0 0 464.998 4.730 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)C2)c1 ZINC001360960868 1066120692 /nfs/dbraw/zinc/12/06/92/1066120692.db2.gz CERAEACOWBVCTB-NRFANRHFSA-N 0 0 450.579 4.679 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC001360961553 1066121096 /nfs/dbraw/zinc/12/10/96/1066121096.db2.gz NJCOPDCZKODMON-LJQANCHMSA-N 0 0 456.970 4.715 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001360961588 1066121145 /nfs/dbraw/zinc/12/11/45/1066121145.db2.gz OGQJPSJGBOFKTA-UHFFFAOYSA-N 0 0 458.562 4.955 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)OCc3csc(-c4ccc(OC)cc4)n3)CC2=O)cc1 ZINC001360961479 1066121212 /nfs/dbraw/zinc/12/12/12/1066121212.db2.gz KUWWJMBJNUVOPV-LJQANCHMSA-N 0 0 450.560 4.868 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)c1sc(-c2ccc(OCC)cc2)nc1C)Cc1ccccc1 ZINC001442372853 1066121406 /nfs/dbraw/zinc/12/14/06/1066121406.db2.gz ZUSCWUNEQLBVAZ-FQEVSTJZSA-N 0 0 452.576 4.669 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360962511 1066122266 /nfs/dbraw/zinc/12/22/66/1066122266.db2.gz IGTPMBNCMPCSHC-CYBMUJFWSA-N 0 0 461.433 4.788 20 0 JJADRN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC001442387446 1066122519 /nfs/dbraw/zinc/12/25/19/1066122519.db2.gz AMKODGBYGYCMGY-UHFFFAOYSA-N 0 0 456.995 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442387002 1066122524 /nfs/dbraw/zinc/12/25/24/1066122524.db2.gz OGNBPWOHNZXRIO-RTBURBONSA-N 0 0 450.526 4.961 20 0 JJADRN C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)(c2ccccc2)CC1 ZINC001442386149 1066122527 /nfs/dbraw/zinc/12/25/27/1066122527.db2.gz HCAAHKSVWNZVMJ-JOCHJYFZSA-N 0 0 454.517 4.528 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962855 1066122736 /nfs/dbraw/zinc/12/27/36/1066122736.db2.gz UHPJGIIDROLNCD-RBUKOAKNSA-N 0 0 482.654 4.888 20 0 JJADRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442393661 1066123569 /nfs/dbraw/zinc/12/35/69/1066123569.db2.gz HYKYKLPEFOJVBD-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN CCOc1ccc2c(c1)CN(C(=O)c1c(C)nn(-c3ccc(Br)cc3)c1C)CC2 ZINC001442393974 1066123658 /nfs/dbraw/zinc/12/36/58/1066123658.db2.gz NIKLZINKIUFDOF-UHFFFAOYSA-N 0 0 454.368 4.849 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COc3ccc(C)cc3)c2)cc1 ZINC001442395823 1066124051 /nfs/dbraw/zinc/12/40/51/1066124051.db2.gz LKHJJHCMUSKTGA-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001360967451 1066124520 /nfs/dbraw/zinc/12/45/20/1066124520.db2.gz HKPNYHQWDNNMBO-CYBMUJFWSA-N 0 0 457.290 4.944 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)cnn1C ZINC001360966886 1066124563 /nfs/dbraw/zinc/12/45/63/1066124563.db2.gz GFHCOJHOTTZKJQ-HXUWFJFHSA-N 0 0 475.410 4.935 20 0 JJADRN COc1ccc(N(CCC(=O)N(C)CC2CCCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001442400349 1066124719 /nfs/dbraw/zinc/12/47/19/1066124719.db2.gz YWDNXYMTDHJKEJ-UHFFFAOYSA-N 0 0 458.624 4.546 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001360968041 1066124982 /nfs/dbraw/zinc/12/49/82/1066124982.db2.gz QWURNLLYGQLKGM-UHFFFAOYSA-N 0 0 454.368 4.885 20 0 JJADRN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1 ZINC001442402475 1066125081 /nfs/dbraw/zinc/12/50/81/1066125081.db2.gz MZXQSKVIDCSPHO-UHFFFAOYSA-N 0 0 455.668 4.946 20 0 JJADRN O=C(CN1C(=O)COc2ccccc21)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001360968665 1066125691 /nfs/dbraw/zinc/12/56/91/1066125691.db2.gz FMAVADXRNVQKPP-UHFFFAOYSA-N 0 0 456.420 4.540 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001442404473 1066125815 /nfs/dbraw/zinc/12/58/15/1066125815.db2.gz VUXPXOIQJUVTAF-UHFFFAOYSA-N 0 0 454.409 4.609 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)C(C)(C)c1ccc(Br)c(C)c1 ZINC001442415995 1066126288 /nfs/dbraw/zinc/12/62/88/1066126288.db2.gz YAIZRXAAQJYKDO-UHFFFAOYSA-N 0 0 453.465 4.776 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)o1 ZINC001360969517 1066126540 /nfs/dbraw/zinc/12/65/40/1066126540.db2.gz VCPXCNJYEGXCKP-GBPOLFSSSA-N 0 0 458.624 4.868 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C2=O)cc1 ZINC001360969557 1066126582 /nfs/dbraw/zinc/12/65/82/1066126582.db2.gz VZOYCIUXKARXCS-NRFANRHFSA-N 0 0 453.995 4.550 20 0 JJADRN COc1ccccc1C[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001442434956 1066126910 /nfs/dbraw/zinc/12/69/10/1066126910.db2.gz QFDNMRRMLSAILA-QFIPXVFZSA-N 0 0 450.579 4.769 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001360971666 1066127507 /nfs/dbraw/zinc/12/75/07/1066127507.db2.gz WCIGHVSMGUVRDW-SXLOBPIMSA-N 0 0 473.618 4.551 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442464338 1066127946 /nfs/dbraw/zinc/12/79/46/1066127946.db2.gz KPZVNYABMGZMCS-ZFWWWQNUSA-N 0 0 455.318 4.688 20 0 JJADRN COCCN(C(=O)CCC(=O)Nc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001442466220 1066128019 /nfs/dbraw/zinc/12/80/19/1066128019.db2.gz LQIQGBMYPMYSEK-CQSZACIVSA-N 0 0 458.427 4.939 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)cnn1CC(C)C ZINC001360972152 1066128164 /nfs/dbraw/zinc/12/81/64/1066128164.db2.gz OZUPNMQEISSPQB-UHFFFAOYSA-N 0 0 493.700 4.549 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360972637 1066128436 /nfs/dbraw/zinc/12/84/36/1066128436.db2.gz GGBKCWOZIUITQD-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442468156 1066128441 /nfs/dbraw/zinc/12/84/41/1066128441.db2.gz QGIGYSAMHRUYNI-OAHLLOKOSA-N 0 0 451.608 4.950 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442468145 1066128527 /nfs/dbraw/zinc/12/85/27/1066128527.db2.gz QGIGYSAMHRUYNI-HNNXBMFYSA-N 0 0 451.608 4.950 20 0 JJADRN Cc1nnsc1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1csc(Br)c1 ZINC001360972890 1066129232 /nfs/dbraw/zinc/12/92/32/1066129232.db2.gz PHEXOMCKUPRIDP-UHFFFAOYSA-N 0 0 493.431 4.677 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)no2)cc1 ZINC001442472596 1066129262 /nfs/dbraw/zinc/12/92/62/1066129262.db2.gz JJPFKNXTGKPMDZ-NRFANRHFSA-N 0 0 455.555 4.602 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001360973063 1066129679 /nfs/dbraw/zinc/12/96/79/1066129679.db2.gz VUNFYCGGNZPEGX-FQEVSTJZSA-N 0 0 451.640 4.541 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001442474744 1066129745 /nfs/dbraw/zinc/12/97/45/1066129745.db2.gz LYLQSRWUCNNEJH-HXOBKFHXSA-N 0 0 456.558 4.737 20 0 JJADRN CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1cc(F)cc(I)c1N ZINC001442474222 1066129824 /nfs/dbraw/zinc/12/98/24/1066129824.db2.gz JBVMWQDAZHLWDT-GFCCVEGCSA-N 0 0 458.290 4.635 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360973559 1066130162 /nfs/dbraw/zinc/13/01/62/1066130162.db2.gz LCJAJKPSZUCGDR-FQEVSTJZSA-N 0 0 457.619 4.702 20 0 JJADRN Cc1c(Cn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cnn1CC(C)C ZINC001360973270 1066130192 /nfs/dbraw/zinc/13/01/92/1066130192.db2.gz DEWHVZKPEALEDK-NHCUHLMSSA-N 0 0 466.699 4.993 20 0 JJADRN Cc1c(Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cnn1CC(C)C ZINC001360973306 1066130200 /nfs/dbraw/zinc/13/02/00/1066130200.db2.gz FKRBJZRUYKUEIF-WOJBJXKFSA-N 0 0 452.672 4.603 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001360973302 1066130205 /nfs/dbraw/zinc/13/02/05/1066130205.db2.gz FJMRCMOPHOUURK-UHFFFAOYSA-N 0 0 491.405 4.861 20 0 JJADRN CCOc1c(OC)cc(CNC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)cc1OC ZINC001442475332 1066130340 /nfs/dbraw/zinc/13/03/40/1066130340.db2.gz VPUJNTCZPXZNNK-UHFFFAOYSA-N 0 0 459.546 4.988 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442475991 1066130398 /nfs/dbraw/zinc/13/03/98/1066130398.db2.gz STVCLUULFDEDGL-ICSRJNTNSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1ccoc1Cn1c(Cc2cccnc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360973746 1066130642 /nfs/dbraw/zinc/13/06/42/1066130642.db2.gz GTJLRXIOJFPKOB-UHFFFAOYSA-N 0 0 494.640 4.687 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)C2=O)cc1 ZINC001360975106 1066131202 /nfs/dbraw/zinc/13/12/02/1066131202.db2.gz NHWOCCBTIRSPPC-FQEVSTJZSA-N 0 0 457.958 4.921 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC001442513163 1066132008 /nfs/dbraw/zinc/13/20/08/1066132008.db2.gz DMNZMZAKSRBAHJ-LAUBAEHRSA-N 0 0 450.539 4.514 20 0 JJADRN Cc1cc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)ccc1OCC(F)(F)F ZINC001360976204 1066132116 /nfs/dbraw/zinc/13/21/16/1066132116.db2.gz UFMGBNXNMFFHKF-UHFFFAOYSA-N 0 0 451.372 4.860 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001442521667 1066132608 /nfs/dbraw/zinc/13/26/08/1066132608.db2.gz ZBQLZMQGZPEHGB-LJQANCHMSA-N 0 0 452.595 4.782 20 0 JJADRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001442524208 1066132623 /nfs/dbraw/zinc/13/26/23/1066132623.db2.gz GRJCGOULQSVNAN-XMSQKQJNSA-N 0 0 454.368 4.875 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(F)(F)F ZINC001360976842 1066133036 /nfs/dbraw/zinc/13/30/36/1066133036.db2.gz VUSIOOHBJQSXRR-UHFFFAOYSA-N 0 0 477.512 4.761 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC001442532045 1066133630 /nfs/dbraw/zinc/13/36/30/1066133630.db2.gz MVIWRTBKGHYNQV-MRXNPFEDSA-N 0 0 455.352 4.832 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)cnn1CC(C)C ZINC001360977225 1066134284 /nfs/dbraw/zinc/13/42/84/1066134284.db2.gz IWLLRFOVTRMJCT-MJGOQNOKSA-N 0 0 472.634 4.536 20 0 JJADRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(I)cc1F ZINC001442543577 1066134713 /nfs/dbraw/zinc/13/47/13/1066134713.db2.gz ZNPOMRXAIMNJKQ-BEFAXECRSA-N 0 0 453.295 4.670 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC001442542191 1066134726 /nfs/dbraw/zinc/13/47/26/1066134726.db2.gz GTKPOARQKDMOHG-NHCUHLMSSA-N 0 0 455.555 4.744 20 0 JJADRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001442540600 1066134746 /nfs/dbraw/zinc/13/47/46/1066134746.db2.gz UWOYCNOUEZFEFA-ISKFKSNPSA-N 0 0 452.595 4.994 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)N(C)C(=O)OC(C)(C)C ZINC001442543081 1066134750 /nfs/dbraw/zinc/13/47/50/1066134750.db2.gz IIWYEJXDJPOEPU-KRWDZBQOSA-N 0 0 450.580 4.931 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC001442542210 1066134761 /nfs/dbraw/zinc/13/47/61/1066134761.db2.gz GTKPOARQKDMOHG-SFTDATJTSA-N 0 0 455.555 4.744 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccccc2F)nnc1N(C)CCCc1ccccn1 ZINC001360977575 1066135215 /nfs/dbraw/zinc/13/52/15/1066135215.db2.gz VJNJDNBOZONMDT-UHFFFAOYSA-N 0 0 451.571 4.878 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(F)F ZINC001442546902 1066135270 /nfs/dbraw/zinc/13/52/70/1066135270.db2.gz WEABDFPBYQCIMZ-RBUKOAKNSA-N 0 0 454.464 4.913 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360977671 1066135802 /nfs/dbraw/zinc/13/58/02/1066135802.db2.gz YPEAYCLWSWARDG-QFIPXVFZSA-N 0 0 498.933 4.990 20 0 JJADRN O=C(Nc1ccccc1CN1CCSCC1)c1c(O)cnc2c(Br)cccc21 ZINC001442548558 1066135807 /nfs/dbraw/zinc/13/58/07/1066135807.db2.gz CMHCAYFZWVBHMN-UHFFFAOYSA-N 0 0 458.381 4.504 20 0 JJADRN COC(=O)Cc1cccc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 ZINC001360978116 1066136056 /nfs/dbraw/zinc/13/60/56/1066136056.db2.gz LTYQMPAWMRZXNR-XMMPIXPASA-N 0 0 453.922 4.592 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)c2ccccc2Cl)c(OC)c1 ZINC001360978731 1066136789 /nfs/dbraw/zinc/13/67/89/1066136789.db2.gz YUDHGNJWFDASRE-DEOSSOPVSA-N 0 0 452.938 4.513 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2sc(C(C)C)nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978343 1066136792 /nfs/dbraw/zinc/13/67/92/1066136792.db2.gz TZGXLTWKLCSXNS-HXUWFJFHSA-N 0 0 458.605 4.506 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001442552183 1066136898 /nfs/dbraw/zinc/13/68/98/1066136898.db2.gz XHUSXRAJPCXLHF-RBUKOAKNSA-N 0 0 451.995 4.916 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1(C)C ZINC001360978801 1066137126 /nfs/dbraw/zinc/13/71/26/1066137126.db2.gz DMCKVVSQBRJJHA-PMACEKPBSA-N 0 0 459.384 4.977 20 0 JJADRN COC(=O)c1ccc(CC(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001360978757 1066137149 /nfs/dbraw/zinc/13/71/49/1066137149.db2.gz ZKROXOOWTDGZAZ-XMMPIXPASA-N 0 0 453.922 4.592 20 0 JJADRN Cc1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1C(=O)NCCc1ccccc1 ZINC001442554167 1066137320 /nfs/dbraw/zinc/13/73/20/1066137320.db2.gz PMPZHGBACBNGDD-UHFFFAOYSA-N 0 0 453.542 4.793 20 0 JJADRN O=C(Nc1ccc(OCC2CCCCC2)cc1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001442552691 1066137356 /nfs/dbraw/zinc/13/73/56/1066137356.db2.gz HYWBOFZROFDJBD-UHFFFAOYSA-N 0 0 459.340 4.991 20 0 JJADRN Cc1c(Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360978997 1066137633 /nfs/dbraw/zinc/13/76/33/1066137633.db2.gz HSRGVZWCZAMXCF-UHFFFAOYSA-N 0 0 478.641 4.590 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360978929 1066137648 /nfs/dbraw/zinc/13/76/48/1066137648.db2.gz GZPDIJOEMFSAFJ-OWYHZJEWSA-N 0 0 459.660 4.949 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cc(Br)ccc3OC)n2)C1(C)C ZINC001360979730 1066137990 /nfs/dbraw/zinc/13/79/90/1066137990.db2.gz LXNKOVHJUXQEPY-SJORKVTESA-N 0 0 453.402 4.857 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)c2cccn3cc(C(F)(F)F)nc23)cc1Cl ZINC001442567255 1066138974 /nfs/dbraw/zinc/13/89/74/1066138974.db2.gz DOHXXBOBYQCSNY-UHFFFAOYSA-N 0 0 452.849 4.539 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442573231 1066139432 /nfs/dbraw/zinc/13/94/32/1066139432.db2.gz SKQMVEXMKXQDQA-CPFIRTDXSA-N 0 0 452.979 4.897 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)o1 ZINC001442570549 1066139644 /nfs/dbraw/zinc/13/96/44/1066139644.db2.gz MNEMSSFEGYIDSA-HXUWFJFHSA-N 0 0 454.592 4.976 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)NCc1csc(Br)c1)N2C(=O)OC(C)(C)C ZINC001442576360 1066140273 /nfs/dbraw/zinc/14/02/73/1066140273.db2.gz XLBQUECMUHYSFC-MRXNPFEDSA-N 0 0 451.386 4.802 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC001360981853 1066140672 /nfs/dbraw/zinc/14/06/72/1066140672.db2.gz XMBZFGZQZLDDTR-CYBMUJFWSA-N 0 0 452.960 4.582 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)C1 ZINC001442577827 1066140745 /nfs/dbraw/zinc/14/07/45/1066140745.db2.gz QFHKZNRTIDYUMY-NRFANRHFSA-N 0 0 457.615 4.533 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360982181 1066141193 /nfs/dbraw/zinc/14/11/93/1066141193.db2.gz CRLNFGVOKWNZOO-OAQYLSRUSA-N 0 0 497.043 4.768 20 0 JJADRN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc(Cl)ncc1Br ZINC001442590148 1066141341 /nfs/dbraw/zinc/14/13/41/1066141341.db2.gz FGXFRNPHKWWEQL-UHFFFAOYSA-N 0 0 455.743 4.826 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360982287 1066141578 /nfs/dbraw/zinc/14/15/78/1066141578.db2.gz HVLACTZJYKPPAJ-HNNXBMFYSA-N 0 0 465.779 4.784 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001442592169 1066141686 /nfs/dbraw/zinc/14/16/86/1066141686.db2.gz IJXUGUKXPDMUOP-UHFFFAOYSA-N 0 0 459.732 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCCCCC1 ZINC001442592177 1066141709 /nfs/dbraw/zinc/14/17/09/1066141709.db2.gz IKAYXJJEECZGFU-OAQYLSRUSA-N 0 0 455.603 4.571 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccs1 ZINC001360983360 1066143051 /nfs/dbraw/zinc/14/30/51/1066143051.db2.gz ACBMUFMVQGOLPZ-UHFFFAOYSA-N 0 0 454.987 4.962 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001360982884 1066143106 /nfs/dbraw/zinc/14/31/06/1066143106.db2.gz XYAJNPLTSGQEMM-UHFFFAOYSA-N 0 0 497.993 4.916 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360982815 1066143179 /nfs/dbraw/zinc/14/31/79/1066143179.db2.gz WBQHHBPRLQREQF-HXUWFJFHSA-N 0 0 497.043 4.625 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC001442599772 1066143156 /nfs/dbraw/zinc/14/31/56/1066143156.db2.gz ITGRMPKGCSZBBV-UHFFFAOYSA-N 0 0 455.352 4.841 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2cc(Br)cc(Br)c2)cc1OC ZINC001360983268 1066143235 /nfs/dbraw/zinc/14/32/35/1066143235.db2.gz KAZDPUKSVAVJSJ-LLVKDONJSA-N 0 0 457.162 4.590 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001360983407 1066143893 /nfs/dbraw/zinc/14/38/93/1066143893.db2.gz BNZYMMGLAVNNGT-OAQYLSRUSA-N 0 0 484.048 4.932 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001360983760 1066144191 /nfs/dbraw/zinc/14/41/91/1066144191.db2.gz IEBOJEQXOZLVSQ-MRXNPFEDSA-N 0 0 466.655 4.723 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccco1)C(C)C ZINC001360984110 1066144893 /nfs/dbraw/zinc/14/48/93/1066144893.db2.gz NCKNQXWEZMJYFG-GOSISDBHSA-N 0 0 471.989 4.781 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)CCC(F)(F)F ZINC001360983944 1066144917 /nfs/dbraw/zinc/14/49/17/1066144917.db2.gz KDDIRHDMUHLJPS-UHFFFAOYSA-N 0 0 480.922 4.643 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442612048 1066144989 /nfs/dbraw/zinc/14/49/89/1066144989.db2.gz CVIIMHWXRGLGHN-LSTHTHJFSA-N 0 0 451.325 4.522 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)C1 ZINC001360984164 1066145260 /nfs/dbraw/zinc/14/52/60/1066145260.db2.gz OKHQJNQZUZXGSE-LBXVMSDZSA-N 0 0 463.985 4.695 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)CCn3ccc4cc(Cl)ccc43)CC2)cc1 ZINC001442617637 1066145952 /nfs/dbraw/zinc/14/59/52/1066145952.db2.gz WRVZTUWYVNFZPB-UHFFFAOYSA-N 0 0 453.970 4.505 20 0 JJADRN CN(C)c1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001442637421 1066146372 /nfs/dbraw/zinc/14/63/72/1066146372.db2.gz BGSGYKVXJPFWKN-IBGZPJMESA-N 0 0 451.489 4.654 20 0 JJADRN COc1c(C)cnc(CNC(=O)Cc2csc(-c3sccc3Br)n2)c1C ZINC001442653360 1066146961 /nfs/dbraw/zinc/14/69/61/1066146961.db2.gz GYJVLKGQNXLSPO-UHFFFAOYSA-N 0 0 452.399 4.513 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545950667 1066147427 /nfs/dbraw/zinc/14/74/27/1066147427.db2.gz UCPBZUVPRQSAHN-NLWGTHIKSA-N 0 0 475.609 4.748 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC3(c4ccc(Br)cc4)CCC3)[nH]n2)c(OC)c1 ZINC001442658885 1066148196 /nfs/dbraw/zinc/14/81/96/1066148196.db2.gz PEBZBYZMSLEXNB-UHFFFAOYSA-N 0 0 456.340 4.666 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1Cc1cc(Br)cs1 ZINC001360985665 1066148446 /nfs/dbraw/zinc/14/84/46/1066148446.db2.gz IMTDDHWOLLHCMY-UHFFFAOYSA-N 0 0 474.428 4.720 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360985791 1066149047 /nfs/dbraw/zinc/14/90/47/1066149047.db2.gz LLRGXCPSFMCGBJ-PTUXOGIPSA-N 0 0 483.657 4.807 20 0 JJADRN C[C@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001442665257 1066149475 /nfs/dbraw/zinc/14/94/75/1066149475.db2.gz HZJCPOUWLZXQSD-UGSOOPFHSA-N 0 0 453.174 4.915 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCC1(F)F ZINC001360986017 1066149674 /nfs/dbraw/zinc/14/96/74/1066149674.db2.gz RLTQCPFIPYNMGY-IBGZPJMESA-N 0 0 468.552 4.857 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@@H]1C ZINC001360985936 1066149681 /nfs/dbraw/zinc/14/96/81/1066149681.db2.gz PEEFVBRSSZYOCJ-FPOVZHCZSA-N 0 0 496.656 4.665 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1Cc1ccnc(OC(F)F)c1 ZINC001360985951 1066149688 /nfs/dbraw/zinc/14/96/88/1066149688.db2.gz PLNREEHTBMZKLP-UHFFFAOYSA-N 0 0 484.551 4.672 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCCCC1(F)F ZINC001360986018 1066149698 /nfs/dbraw/zinc/14/96/98/1066149698.db2.gz RLTQCPFIPYNMGY-LJQANCHMSA-N 0 0 468.552 4.857 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001360986235 1066150308 /nfs/dbraw/zinc/15/03/08/1066150308.db2.gz YGSFAJGSYBVTHG-QPPBQGQZSA-N 0 0 453.631 4.689 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1O ZINC001442671399 1066150620 /nfs/dbraw/zinc/15/06/20/1066150620.db2.gz XYYUBLZMOSNCDA-SFHVURJKSA-N 0 0 454.523 4.509 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC001442672544 1066150697 /nfs/dbraw/zinc/15/06/97/1066150697.db2.gz WFIKEKFOVYVQMZ-OAHLLOKOSA-N 0 0 458.605 4.864 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360986304 1066150735 /nfs/dbraw/zinc/15/07/35/1066150735.db2.gz AHEALPPDTNEWFH-FPOVZHCZSA-N 0 0 487.048 4.756 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986279 1066150749 /nfs/dbraw/zinc/15/07/49/1066150749.db2.gz ZNANSJMQBIIICS-GHTZIAJQSA-N 0 0 480.613 4.620 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)Cc1cccs1 ZINC001360986295 1066150842 /nfs/dbraw/zinc/15/08/42/1066150842.db2.gz ACXHQPKZHZFUTR-IBGZPJMESA-N 0 0 488.661 4.896 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545950807 1066151331 /nfs/dbraw/zinc/15/13/31/1066151331.db2.gz WMKJDLYBQJUFSM-RPPIVITFSA-N 0 0 473.593 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CCOC(C)C ZINC001360986361 1066151469 /nfs/dbraw/zinc/15/14/69/1066151469.db2.gz BVAHNGQRIRXJHP-MOPGFXCFSA-N 0 0 451.011 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCOC(C)C ZINC001360986363 1066151478 /nfs/dbraw/zinc/15/14/78/1066151478.db2.gz BVAHNGQRIRXJHP-RBUKOAKNSA-N 0 0 451.011 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC(F)(F)C2)n1CCC(=O)N(C)C ZINC001360986454 1066152096 /nfs/dbraw/zinc/15/20/96/1066152096.db2.gz DELAWZADVMAFGN-MRXNPFEDSA-N 0 0 483.991 4.648 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360986479 1066152648 /nfs/dbraw/zinc/15/26/48/1066152648.db2.gz DUZHRZHKXFMBHU-AVRDEDQJSA-N 0 0 453.631 4.518 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)CC1 ZINC001442707770 1066153218 /nfs/dbraw/zinc/15/32/18/1066153218.db2.gz KGHCDTGIWAHPCG-RJYAGPCLSA-N 0 0 452.389 4.881 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H]1CC[C@H](C)C1 ZINC001360986613 1066153267 /nfs/dbraw/zinc/15/32/67/1066153267.db2.gz IMHHXTZVOQUSGN-OBZTUIKSSA-N 0 0 497.105 4.994 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)NCC1CC1 ZINC001360986722 1066154162 /nfs/dbraw/zinc/15/41/62/1066154162.db2.gz KMPWLWQLWNTPPK-GOSISDBHSA-N 0 0 486.016 4.752 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950976 1066154171 /nfs/dbraw/zinc/15/41/71/1066154171.db2.gz ZQWNRVFHKDUWBD-FYYLOGMGSA-N 0 0 499.700 4.917 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CC(=O)NCc1ccco1 ZINC001360986738 1066154263 /nfs/dbraw/zinc/15/42/63/1066154263.db2.gz KYHGNWUHTHCQQH-KRWDZBQOSA-N 0 0 471.989 4.586 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1C[C@H](C)Cc1cccs1 ZINC001360986718 1066154319 /nfs/dbraw/zinc/15/43/19/1066154319.db2.gz KHVOTYNWPAODSN-QGZVFWFLSA-N 0 0 451.640 4.863 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC1CC1 ZINC001360986735 1066154328 /nfs/dbraw/zinc/15/43/28/1066154328.db2.gz KVIJZQVPIFIDCT-FQEVSTJZSA-N 0 0 490.092 4.893 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC001442711014 1066154312 /nfs/dbraw/zinc/15/43/12/1066154312.db2.gz UGZXJZTWYQCALD-UQBPGWFLSA-N 0 0 455.555 4.622 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1(C)CCC1 ZINC001360986774 1066154552 /nfs/dbraw/zinc/15/45/52/1066154552.db2.gz LSNWPDDZSXKPQO-QZTJIDSGSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCC2)n1CCCn1ccnn1 ZINC001360986798 1066154689 /nfs/dbraw/zinc/15/46/89/1066154689.db2.gz MLEUKJMQALPDBZ-GOSISDBHSA-N 0 0 458.010 4.606 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CCc1ccsc1 ZINC001360986752 1066154737 /nfs/dbraw/zinc/15/47/37/1066154737.db2.gz LEADVHCEBGLILX-SJORKVTESA-N 0 0 476.046 4.693 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2nccs2)n1CCc1ccn(C)n1 ZINC001360986824 1066155227 /nfs/dbraw/zinc/15/52/27/1066155227.db2.gz MXNVFILTYUPLQR-KRWDZBQOSA-N 0 0 486.045 4.757 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(F)(F)F)n1CCC(=O)NC(C)(C)C ZINC001360986801 1066155265 /nfs/dbraw/zinc/15/52/65/1066155265.db2.gz MPRIPTKGMMFZRJ-HNNXBMFYSA-N 0 0 489.970 4.992 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CCOCC2)cnn1C ZINC001360986807 1066155290 /nfs/dbraw/zinc/15/52/90/1066155290.db2.gz MQMAJLKXJHEGMK-IBGZPJMESA-N 0 0 487.048 4.793 20 0 JJADRN C[C@]1(c2cccc(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)c2)NC(=O)NC1=O ZINC001442724608 1066155670 /nfs/dbraw/zinc/15/56/70/1066155670.db2.gz VKFZXDQSGYVNHN-HSZRJFAPSA-N 0 0 451.935 4.798 20 0 JJADRN CCCC[C@H](NC(=O)c1cnn2cccc(Cl)c12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442724353 1066155694 /nfs/dbraw/zinc/15/56/94/1066155694.db2.gz GYQNZLSEHXAVIY-NRFANRHFSA-N 0 0 453.974 4.515 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)C)n1CCNC(=O)C(C)C ZINC001360986941 1066156024 /nfs/dbraw/zinc/15/60/24/1066156024.db2.gz PVSWUZMBUXUNGF-SFHVURJKSA-N 0 0 464.054 4.943 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cscn2)n1CCc1cn[nH]c1 ZINC001360986920 1066156027 /nfs/dbraw/zinc/15/60/27/1066156027.db2.gz PGOZKVFNMUCYNH-MRXNPFEDSA-N 0 0 472.018 4.747 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)nn1-c1ccc(Cl)cc1Cl ZINC001442730354 1066156086 /nfs/dbraw/zinc/15/60/86/1066156086.db2.gz NOSPRDRFRXWMHN-SFHVURJKSA-N 0 0 457.361 4.522 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@@H]1CCCS1 ZINC001360987046 1066156313 /nfs/dbraw/zinc/15/63/13/1066156313.db2.gz REYBDPORZOAOEI-NEWSRXKRSA-N 0 0 451.036 4.809 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001360987019 1066156331 /nfs/dbraw/zinc/15/63/31/1066156331.db2.gz QXFZBRVTHHTZKP-PXDATVDWSA-N 0 0 481.666 4.683 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)C)n1CCNC(=O)c1ccco1 ZINC001360987085 1066156719 /nfs/dbraw/zinc/15/67/19/1066156719.db2.gz RZFHNOBKMRMZIC-SFHVURJKSA-N 0 0 474.005 4.804 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCC1(C)CC1 ZINC001360987082 1066156738 /nfs/dbraw/zinc/15/67/38/1066156738.db2.gz RWRAUXOSKJUTHP-ROUUACIJSA-N 0 0 483.078 4.748 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1)OC ZINC001545951625 1066156890 /nfs/dbraw/zinc/15/68/90/1066156890.db2.gz AJYARJFQZFLNOP-RXVVDRJESA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnccn2)n1C[C@@H]1CCCCO1 ZINC001360987102 1066156946 /nfs/dbraw/zinc/15/69/46/1066156946.db2.gz SGHBRLZPFBZENG-NQIIRXRSSA-N 0 0 471.005 4.684 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1=CCCCC1 ZINC001360987171 1066157375 /nfs/dbraw/zinc/15/73/75/1066157375.db2.gz UIUMVSRFNMJQRS-NQIIRXRSSA-N 0 0 493.073 4.812 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1C[C@H]1C ZINC001360987194 1066157611 /nfs/dbraw/zinc/15/76/11/1066157611.db2.gz UOTOQUNWWNPLKS-QSGLGXSPSA-N 0 0 483.078 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1CC1(O)CCCCCC1 ZINC001360987227 1066157617 /nfs/dbraw/zinc/15/76/17/1066157617.db2.gz VGCFVPCBTGVNCT-CTNGQTDRSA-N 0 0 477.049 4.999 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cs1 ZINC001442761963 1066157853 /nfs/dbraw/zinc/15/78/53/1066157853.db2.gz SJJAOMIKLVVNFI-FQEVSTJZSA-N 0 0 453.612 4.972 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)C)n1CC[C@@H]1COCCO1 ZINC001360987284 1066157974 /nfs/dbraw/zinc/15/79/74/1066157974.db2.gz XBVYYLUEPGEWTE-AZUAARDMSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H]1C[C@@H]1C ZINC001360987406 1066158337 /nfs/dbraw/zinc/15/83/37/1066158337.db2.gz XIQAOESILVUJKK-XKQJLSEDSA-N 0 0 493.990 4.837 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC001360988184 1066158802 /nfs/dbraw/zinc/15/88/02/1066158802.db2.gz XEDATTZRFBISJN-UHFFFAOYSA-N 0 0 454.530 4.810 20 0 JJADRN CC(C)c1c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cnn1-c1cccc(Cl)c1 ZINC001360988919 1066159049 /nfs/dbraw/zinc/15/90/49/1066159049.db2.gz TWLMIGPJHYALBD-NRFANRHFSA-N 0 0 454.933 4.666 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 ZINC001360988440 1066159111 /nfs/dbraw/zinc/15/91/11/1066159111.db2.gz FPFSEXWKSIEFQX-UHFFFAOYSA-N 0 0 454.958 4.770 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCCC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360989037 1066159467 /nfs/dbraw/zinc/15/94/67/1066159467.db2.gz XHGGTJQLTLDRGX-FQEVSTJZSA-N 0 0 459.359 4.664 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@](C)(O)C1CC1 ZINC001360989276 1066160067 /nfs/dbraw/zinc/16/00/67/1066160067.db2.gz BSQGGQBNRSNEHR-YYULODDRSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CC(C)C ZINC001360989480 1066161411 /nfs/dbraw/zinc/16/14/11/1066161411.db2.gz FUNHTHXQZOBKSN-NHCUHLMSSA-N 0 0 476.065 4.503 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)F)n1CCc1cn[nH]c1 ZINC001360989561 1066162105 /nfs/dbraw/zinc/16/21/05/1066162105.db2.gz HGKVPNQZOHXCFU-HNNXBMFYSA-N 0 0 452.937 4.746 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CCOC(C)(C)C ZINC001360989592 1066162135 /nfs/dbraw/zinc/16/21/35/1066162135.db2.gz HOKXHKDYKKGEPN-QRQLOZEOSA-N 0 0 493.004 4.618 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC[C@@H]1COCCO1 ZINC001360989599 1066162527 /nfs/dbraw/zinc/16/25/27/1066162527.db2.gz HQQCRQPMOLPGSG-SJLPKXTDSA-N 0 0 490.954 4.882 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@]1(C)CCCS1 ZINC001360989656 1066162802 /nfs/dbraw/zinc/16/28/02/1066162802.db2.gz IPYRDHCPPNZFCL-YTZAWJCFSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360989685 1066162807 /nfs/dbraw/zinc/16/28/07/1066162807.db2.gz JBNHHCKIBRTERL-CEXWTWQISA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(C)C)C2)n1CCCN1CCOCC1 ZINC001360989665 1066162817 /nfs/dbraw/zinc/16/28/17/1066162817.db2.gz IWKCNQHRHLDLDR-VXKWHMMOSA-N 0 0 490.092 4.893 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCCCCO ZINC001360989866 1066164201 /nfs/dbraw/zinc/16/42/01/1066164201.db2.gz MCPJFHWHICOZLH-KNQAVFIVSA-N 0 0 487.048 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCC(=O)N(C)C ZINC001360989961 1066164509 /nfs/dbraw/zinc/16/45/09/1066164509.db2.gz NUAMJYDFORPISM-DYXWJJEUSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@H](C)N1CCOCC1 ZINC001360990005 1066164930 /nfs/dbraw/zinc/16/49/30/1066164930.db2.gz ONEOLCGSBNSWHS-LLUDDFSJSA-N 0 0 476.065 4.644 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@H](C)N1CCOCC1 ZINC001360990006 1066164979 /nfs/dbraw/zinc/16/49/79/1066164979.db2.gz ONEOLCGSBNSWHS-LRGNLBRXSA-N 0 0 476.065 4.644 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccoc1 ZINC001360990035 1066165173 /nfs/dbraw/zinc/16/51/73/1066165173.db2.gz PCUCXSNVTREVKX-GOSISDBHSA-N 0 0 474.005 4.538 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCOC(C)C ZINC001360990041 1066165184 /nfs/dbraw/zinc/16/51/84/1066165184.db2.gz PENBCPBPMLRBOG-PZJWPPBQSA-N 0 0 488.036 4.546 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(=O)NCC1CC1 ZINC001360990104 1066165640 /nfs/dbraw/zinc/16/56/40/1066165640.db2.gz PWWUFSQZCWJVFX-FUHWJXTLSA-N 0 0 496.002 4.696 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1(O)CCSC1 ZINC001360990146 1066165804 /nfs/dbraw/zinc/16/58/04/1066165804.db2.gz QGXSWTVDEQKSRW-XFAGBWLFSA-N 0 0 495.089 4.560 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1=CCCCC1 ZINC001360990133 1066165844 /nfs/dbraw/zinc/16/58/44/1066165844.db2.gz QCCSKZMMDUWGTG-QUCCMNQESA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360990177 1066166206 /nfs/dbraw/zinc/16/62/06/1066166206.db2.gz QRGSHAWBKAAZIJ-SFHLNBCPSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CC1([S@@](C)=O)CC1 ZINC001360990268 1066166954 /nfs/dbraw/zinc/16/69/54/1066166954.db2.gz RWVRWANUOACEOI-QTQHQBLZSA-N 0 0 465.063 4.692 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CCc1nccs1 ZINC001360990436 1066167756 /nfs/dbraw/zinc/16/77/56/1066167756.db2.gz VMUGTXJAJGMXSD-SFHVURJKSA-N 0 0 486.045 4.720 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCNC(=O)C(C)C)n1CC1(C)CC1 ZINC001360990493 1066167788 /nfs/dbraw/zinc/16/77/88/1066167788.db2.gz WIRVAGAVGQALIM-GOSISDBHSA-N 0 0 462.038 4.697 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCC1(O)CCC1 ZINC001360990544 1066167985 /nfs/dbraw/zinc/16/79/85/1066167985.db2.gz XCWWWJZFYXBACK-MRXNPFEDSA-N 0 0 454.949 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001360990539 1066168015 /nfs/dbraw/zinc/16/80/15/1066168015.db2.gz XAJJGOKUZJBQJK-FCEWJHQRSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001360990643 1066168716 /nfs/dbraw/zinc/16/87/16/1066168716.db2.gz YTCURNDFTPJSPC-FUQIYGJBSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCSC(C)C ZINC001360990636 1066168767 /nfs/dbraw/zinc/16/87/67/1066168767.db2.gz YOAXQMRCYIMRON-UZUQRXQVSA-N 0 0 480.078 4.532 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CCOCC(F)F ZINC001360990765 1066168930 /nfs/dbraw/zinc/16/89/30/1066168930.db2.gz YYPSNQZONSEBCS-QWFCFKBJSA-N 0 0 499.002 4.975 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CC(F)(F)F ZINC001360990802 1066168959 /nfs/dbraw/zinc/16/89/59/1066168959.db2.gz ZMKMUIBVXLIWSL-MRUHUIDDSA-N 0 0 488.938 4.635 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CC(F)(F)F ZINC001360990803 1066168986 /nfs/dbraw/zinc/16/89/86/1066168986.db2.gz ZMKMUIBVXLIWSL-WHSLLNHNSA-N 0 0 488.938 4.635 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)ccc1C ZINC001360990751 1066169008 /nfs/dbraw/zinc/16/90/08/1066169008.db2.gz CUTAKQGBSYFXEC-QHCPKHFHSA-N 0 0 455.963 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCc1ccccn1 ZINC001360991232 1066169442 /nfs/dbraw/zinc/16/94/42/1066169442.db2.gz ASDDSWPEYUMTRX-PERKRYKHSA-N 0 0 470.017 4.533 20 0 JJADRN C[C@H](c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1)C(F)(F)F ZINC001360991070 1066169482 /nfs/dbraw/zinc/16/94/82/1066169482.db2.gz KYHHSDQZYJJNTK-HZPDHXFCSA-N 0 0 452.904 4.921 20 0 JJADRN Cc1nc(Cl)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001360991370 1066169725 /nfs/dbraw/zinc/16/97/25/1066169725.db2.gz QVLCYVIDLLJYCB-INIZCTEOSA-N 0 0 455.388 4.681 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS[C@@H](C)C2)n1CCC(=O)NC(C)(C)C ZINC001360991441 1066169788 /nfs/dbraw/zinc/16/97/88/1066169788.db2.gz CMQQMWNPWCCLEI-ROUUACIJSA-N 0 0 494.105 4.935 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CC[S@@](=O)C(C)(C)C ZINC001360991454 1066169981 /nfs/dbraw/zinc/16/99/81/1066169981.db2.gz CONOTUDUVNMZET-MWOWJKGTSA-N 0 0 479.050 4.713 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ccc(Cl)cc2)c1 ZINC001360991563 1066170271 /nfs/dbraw/zinc/17/02/71/1066170271.db2.gz UVDGGTKUMNAOEK-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC(C)(C)[C@@H]2C)cnn1C ZINC001360991690 1066170545 /nfs/dbraw/zinc/17/05/45/1066170545.db2.gz FCUALPVWPJLERN-OALUTQOASA-N 0 0 487.048 4.782 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS(=O)CC2)n1CCSC(F)(F)F ZINC001360991891 1066170767 /nfs/dbraw/zinc/17/07/67/1066170767.db2.gz GPVMQMQHTVLFDG-CQSZACIVSA-N 0 0 497.008 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1C[C@](C)(O)c1ccco1 ZINC001360991981 1066170770 /nfs/dbraw/zinc/17/07/70/1066170770.db2.gz HYQDENXOKJSFCP-HJPURHCSSA-N 0 0 470.961 4.666 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC1CC1 ZINC001360992202 1066171296 /nfs/dbraw/zinc/17/12/96/1066171296.db2.gz KQSRVGZJAFMZDX-NQIIRXRSSA-N 0 0 463.022 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC1=CCCOC1 ZINC001360992246 1066171329 /nfs/dbraw/zinc/17/13/29/1066171329.db2.gz LWKJOAJLVUEIOG-ROUUACIJSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ncn(C)n1 ZINC001360992269 1066171349 /nfs/dbraw/zinc/17/13/49/1066171349.db2.gz MGAQZKNYGNPCKQ-IXDOHACOSA-N 0 0 493.990 4.593 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC1CC1 ZINC001360992204 1066171367 /nfs/dbraw/zinc/17/13/67/1066171367.db2.gz KQSRVGZJAFMZDX-WIYYLYMNSA-N 0 0 463.022 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360992318 1066171547 /nfs/dbraw/zinc/17/15/47/1066171547.db2.gz MTDUOJNKALNPCS-RLLQIKCJSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOCC3(CC3)C2)n1CCCOCC(F)F ZINC001360992403 1066171851 /nfs/dbraw/zinc/17/18/51/1066171851.db2.gz OAWUIDFOSUTHIY-GOSISDBHSA-N 0 0 499.002 4.977 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCc3c(C)cccc3C)CC2)c(C)o1 ZINC001360992574 1066172025 /nfs/dbraw/zinc/17/20/25/1066172025.db2.gz PUIKPETUDNBIAO-UHFFFAOYSA-N 0 0 463.626 4.607 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360992696 1066172310 /nfs/dbraw/zinc/17/23/10/1066172310.db2.gz RFYKNPPVCHOKRS-RTBURBONSA-N 0 0 487.048 4.897 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CCCOCC(F)F ZINC001360992711 1066172352 /nfs/dbraw/zinc/17/23/52/1066172352.db2.gz RTGKZERIGLLHOC-INIZCTEOSA-N 0 0 475.005 4.913 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCOCC2)n1C[C@H]1CCOC[C@H]1C ZINC001360993047 1066172951 /nfs/dbraw/zinc/17/29/51/1066172951.db2.gz XQCRRHLOVKMHLC-VAMGGRTRSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC1(O)CCC1 ZINC001360993119 1066173131 /nfs/dbraw/zinc/17/31/31/1066173131.db2.gz YZPGXAQDRDHGAK-UYAOXDASSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360993149 1066173345 /nfs/dbraw/zinc/17/33/45/1066173345.db2.gz ZJXVTRZFTANIKT-YWMUFLPLSA-N 0 0 475.012 4.881 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)no1 ZINC001360994463 1066173574 /nfs/dbraw/zinc/17/35/74/1066173574.db2.gz MZABKGBHKQCNFS-RDJZCZTQSA-N 0 0 482.551 4.564 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)no1 ZINC001360994464 1066173599 /nfs/dbraw/zinc/17/35/99/1066173599.db2.gz MZABKGBHKQCNFS-WBVHZDCISA-N 0 0 482.551 4.564 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccc(F)cc4)n3CCC(C)C)CC2)c(C)o1 ZINC001360995039 1066174036 /nfs/dbraw/zinc/17/40/36/1066174036.db2.gz KCOZHGOZOZQPIU-UHFFFAOYSA-N 0 0 467.589 4.663 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[C@H]3C)CC2)c(C)o1 ZINC001360995137 1066174310 /nfs/dbraw/zinc/17/43/10/1066174310.db2.gz NOKJZLALOHQMFT-XLIONFOSSA-N 0 0 455.647 4.912 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)c(C)c3)CC2)c(C)o1 ZINC001360995470 1066174560 /nfs/dbraw/zinc/17/45/60/1066174560.db2.gz XIZPXUSEIUIAFO-UHFFFAOYSA-N 0 0 481.616 4.971 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3Cc3csc(C)c3)CC2)c(C)o1 ZINC001360995610 1066174563 /nfs/dbraw/zinc/17/45/63/1066174563.db2.gz YWXULHLDRGBPBM-UHFFFAOYSA-N 0 0 455.628 4.503 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H]2CCOC2)c(C)o1 ZINC001360997224 1066175645 /nfs/dbraw/zinc/17/56/45/1066175645.db2.gz CZODFNNKAGRKLY-MWTRTKDXSA-N 0 0 479.408 4.842 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H]2CCOC2)c(C)o1 ZINC001360997226 1066175655 /nfs/dbraw/zinc/17/56/55/1066175655.db2.gz CZODFNNKAGRKLY-WAIKUNEKSA-N 0 0 479.408 4.842 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H]2C)c(C)o1 ZINC001360997236 1066175669 /nfs/dbraw/zinc/17/56/69/1066175669.db2.gz DCEAPOUYINEQEG-RCDICMHDSA-N 0 0 459.388 4.814 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H]2C)c(C)o1 ZINC001360997234 1066175688 /nfs/dbraw/zinc/17/56/88/1066175688.db2.gz DCEAPOUYINEQEG-JLCFBVMHSA-N 0 0 459.388 4.814 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)c(C)o1 ZINC001360997348 1066175970 /nfs/dbraw/zinc/17/59/70/1066175970.db2.gz GGONQEDVXFRQJR-ZJSXRUAMSA-N 0 0 458.990 4.577 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCCO2)c(C)o1 ZINC001360997356 1066175996 /nfs/dbraw/zinc/17/59/96/1066175996.db2.gz GKSDRPWECCRMDT-BVFVYWQFSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCCO2)c(C)o1 ZINC001360997384 1066176139 /nfs/dbraw/zinc/17/61/39/1066176139.db2.gz GVHFAUNWNPAGIQ-KCVHQNEMSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccccc3Cl)C2)c(C)o1 ZINC001360997560 1066176420 /nfs/dbraw/zinc/17/64/20/1066176420.db2.gz KAYJNJMLFXFDQH-URXFXBBRSA-N 0 0 458.990 4.750 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)c(C)o1 ZINC001360997806 1066176583 /nfs/dbraw/zinc/17/65/83/1066176583.db2.gz OORMNGRILRJXTK-RUZDIDTESA-N 0 0 499.974 4.765 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C)C2)c(C)o1 ZINC001360997840 1066176626 /nfs/dbraw/zinc/17/66/26/1066176626.db2.gz PAUYPWZIGHQYEX-FPTDNZKUSA-N 0 0 465.381 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](C)C2)c(C)o1 ZINC001360997892 1066176789 /nfs/dbraw/zinc/17/67/89/1066176789.db2.gz PTZFCWQBTDGEQO-LFVRLGFBSA-N 0 0 473.415 4.980 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC001360998044 1066177029 /nfs/dbraw/zinc/17/70/29/1066177029.db2.gz SVVZKLXBTWMLHM-KISOLHGJSA-N 0 0 489.016 4.803 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)OC2CCCC2)c(C)o1 ZINC001360998103 1066177324 /nfs/dbraw/zinc/17/73/24/1066177324.db2.gz UMEOHVAWSDFXBK-CJAUYULYSA-N 0 0 472.561 4.985 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@@H](C)[C@H]2C)c(C)o1 ZINC001360998217 1066177490 /nfs/dbraw/zinc/17/74/90/1066177490.db2.gz XEBMXSSOWRGGRB-QEEIZYTISA-N 0 0 492.592 4.994 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Br)cc2)c(C)o1 ZINC001360999040 1066177941 /nfs/dbraw/zinc/17/79/41/1066177941.db2.gz JBENLSDABXASEF-DEOSSOPVSA-N 0 0 496.409 4.857 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C)o1 ZINC001360998481 1066177967 /nfs/dbraw/zinc/17/79/67/1066177967.db2.gz CDJFFQHNLDEESO-HUYGQZFBSA-N 0 0 462.516 4.929 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)Oc1ccccc1C ZINC001360999539 1066178160 /nfs/dbraw/zinc/17/81/60/1066178160.db2.gz NDLOUWHROVWMQK-MQSCRBSSSA-N 0 0 452.595 4.751 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC001360999907 1066178390 /nfs/dbraw/zinc/17/83/90/1066178390.db2.gz TUCXHENEBJWROC-MMTVBGGISA-N 0 0 455.558 4.649 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)c(C)o1 ZINC001361000181 1066178418 /nfs/dbraw/zinc/17/84/18/1066178418.db2.gz SCVWSUICIHOOQS-VWLOTQADSA-N 0 0 456.562 4.596 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)c2ccccc2)c(C)o1 ZINC001360999810 1066178430 /nfs/dbraw/zinc/17/84/30/1066178430.db2.gz OSWDOBASQYXNBV-HBTLOVQCSA-N 0 0 452.599 4.530 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3C)nnc2N2CC[C@@H](OCC(C)C)C2)c(C)o1 ZINC001361000631 1066178837 /nfs/dbraw/zinc/17/88/37/1066178837.db2.gz XFZUBIXJXGRGDV-QFQXNSOFSA-N 0 0 452.599 4.622 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCCC[C@@H](C)C2)c(C)o1 ZINC001361002364 1066179293 /nfs/dbraw/zinc/17/92/93/1066179293.db2.gz DBDHMPZLDHKDFO-NSYGIPOTSA-N 0 0 456.562 4.740 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 ZINC001361002516 1066179550 /nfs/dbraw/zinc/17/95/50/1066179550.db2.gz DVHMDMMNAZXCKI-FNZWTVRRSA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)c(C)o1 ZINC001361002390 1066179573 /nfs/dbraw/zinc/17/95/73/1066179573.db2.gz DJIMKFNSDARJRV-RUZDIDTESA-N 0 0 468.598 4.866 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccc3C)nnc2N2CCC=C(Br)C2)c(C)o1 ZINC001361003142 1066180512 /nfs/dbraw/zinc/18/05/12/1066180512.db2.gz PIBNCLUZVFGWQM-XMMPIXPASA-N 0 0 485.426 4.784 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N(C)[C@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)o1 ZINC001361003264 1066180679 /nfs/dbraw/zinc/18/06/79/1066180679.db2.gz RMRSWFVTZKMGGD-ZYKLXPEUSA-N 0 0 488.654 4.695 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)c(C)o1 ZINC001361003256 1066180716 /nfs/dbraw/zinc/18/07/16/1066180716.db2.gz RGAPTRDPKRILDF-ZBLYBZFDSA-N 0 0 482.625 4.595 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)c(C)o1 ZINC001361003253 1066180720 /nfs/dbraw/zinc/18/07/20/1066180720.db2.gz RGAPTRDPKRILDF-IDISGSTGSA-N 0 0 482.625 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)c(C)o1 ZINC001361003549 1066181159 /nfs/dbraw/zinc/18/11/59/1066181159.db2.gz XBRQGLXUSBSBCP-HHHXNRCGSA-N 0 0 465.642 4.831 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)c(C)o1 ZINC001361003684 1066181458 /nfs/dbraw/zinc/18/14/58/1066181458.db2.gz ZCDNYKKEVYMABP-QHCPKHFHSA-N 0 0 495.407 4.508 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CCCc3ccccc3)nnc2N(C)Cc2cscn2)c(C)o1 ZINC001361003682 1066181520 /nfs/dbraw/zinc/18/15/20/1066181520.db2.gz ZBHVQPMCMUNITF-VWLOTQADSA-N 0 0 465.623 4.664 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@H](Oc3ccccc3Cl)C2)c(C)o1 ZINC001361003688 1066181930 /nfs/dbraw/zinc/18/19/30/1066181930.db2.gz ZEUJSSVPRVTAKF-UQBPGWFLSA-N 0 0 473.017 4.905 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361003904 1066182006 /nfs/dbraw/zinc/18/20/06/1066182006.db2.gz DSWOIGFHPRSXMM-IRLDBZIGSA-N 0 0 462.642 4.527 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361004269 1066182497 /nfs/dbraw/zinc/18/24/97/1066182497.db2.gz KNQNLJOTVZMTTD-BWKNWUBXSA-N 0 0 474.552 4.549 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)C2)c1 ZINC001361004021 1066182513 /nfs/dbraw/zinc/18/25/13/1066182513.db2.gz GOOCSCNWISBNHB-AWEZNQCLSA-N 0 0 450.331 4.993 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361004270 1066182517 /nfs/dbraw/zinc/18/25/17/1066182517.db2.gz KNQNLJOTVZMTTD-OFVILXPXSA-N 0 0 474.552 4.549 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361004272 1066182550 /nfs/dbraw/zinc/18/25/50/1066182550.db2.gz KNQNLJOTVZMTTD-SQJMNOBHSA-N 0 0 474.552 4.549 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361005021 1066183522 /nfs/dbraw/zinc/18/35/22/1066183522.db2.gz XMGBTSMPGOUCMG-MHECFPHRSA-N 0 0 473.543 4.982 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001361005568 1066184110 /nfs/dbraw/zinc/18/41/10/1066184110.db2.gz UXAPXCCPBSZGHN-NRFANRHFSA-N 0 0 458.599 4.938 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001361006563 1066184603 /nfs/dbraw/zinc/18/46/03/1066184603.db2.gz SFGUWPJWDKPALT-HNNXBMFYSA-N 0 0 457.324 4.842 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(Br)c(C)c2F)ccn1 ZINC001361006611 1066184656 /nfs/dbraw/zinc/18/46/56/1066184656.db2.gz SYNULDVHTOQSEA-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC001361006035 1066184661 /nfs/dbraw/zinc/18/46/61/1066184661.db2.gz HGNXXNJMJXKGIQ-OAHLLOKOSA-N 0 0 457.434 4.788 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@H](C)C2)c1 ZINC001361006760 1066185226 /nfs/dbraw/zinc/18/52/26/1066185226.db2.gz AIQULPJBRYEZAB-XUVXKRRUSA-N 0 0 451.640 4.864 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001361006690 1066185290 /nfs/dbraw/zinc/18/52/90/1066185290.db2.gz VQVPOGDOCXKQGU-CQSZACIVSA-N 0 0 451.283 4.549 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccs1 ZINC001361007032 1066185800 /nfs/dbraw/zinc/18/58/00/1066185800.db2.gz CXVWCPHFHFERIX-UHFFFAOYSA-N 0 0 463.529 4.588 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001361007397 1066186472 /nfs/dbraw/zinc/18/64/72/1066186472.db2.gz KBWNQDDEDAYLER-RXVVDRJESA-N 0 0 493.574 4.527 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001361007398 1066186544 /nfs/dbraw/zinc/18/65/44/1066186544.db2.gz KBWNQDDEDAYLER-WIYYLYMNSA-N 0 0 493.574 4.527 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001361007852 1066187541 /nfs/dbraw/zinc/18/75/41/1066187541.db2.gz CLJFYFHXYVGPGD-QGZVFWFLSA-N 0 0 452.521 4.551 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2C[C@H](C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001361008435 1066189337 /nfs/dbraw/zinc/18/93/37/1066189337.db2.gz NARKNAPMWILFKX-IEGUWTFLSA-N 0 0 466.548 4.786 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361008325 1066189391 /nfs/dbraw/zinc/18/93/91/1066189391.db2.gz WNVKRYOHJCDXBD-KNQAVFIVSA-N 0 0 453.631 4.836 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 ZINC001361008496 1066189795 /nfs/dbraw/zinc/18/97/95/1066189795.db2.gz NSDDSWNUMZVRJX-VDUSKEEQSA-N 0 0 484.588 4.571 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C ZINC001361008638 1066190543 /nfs/dbraw/zinc/19/05/43/1066190543.db2.gz QBBZQSSABNDKMR-LJQANCHMSA-N 0 0 465.564 4.692 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001361008746 1066190548 /nfs/dbraw/zinc/19/05/48/1066190548.db2.gz RQLRRARTVUPPPC-KRWDZBQOSA-N 0 0 463.548 4.614 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001361008653 1066190622 /nfs/dbraw/zinc/19/06/22/1066190622.db2.gz ZGKILOOICJGQHQ-UHFFFAOYSA-N 0 0 467.580 4.572 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CN2CCCC2=O)nnc1N(CCC(C)C)C1CC1 ZINC001361008788 1066190764 /nfs/dbraw/zinc/19/07/64/1066190764.db2.gz TUGVNAVGJJNYCW-UHFFFAOYSA-N 0 0 463.548 4.791 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001361008903 1066191729 /nfs/dbraw/zinc/19/17/29/1066191729.db2.gz XLODMILTASDZLD-UHFFFAOYSA-N 0 0 492.590 4.626 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001361009195 1066191733 /nfs/dbraw/zinc/19/17/33/1066191733.db2.gz GOWMIQJOFOSSSZ-UHFFFAOYSA-N 0 0 455.633 4.773 20 0 JJADRN Cc1ccc(C2(C(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)CCOCC2)cc1C ZINC001361009650 1066191970 /nfs/dbraw/zinc/19/19/70/1066191970.db2.gz OWWCFFMMVSRPKD-UHFFFAOYSA-N 0 0 456.892 4.614 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC[C@@H]1SCCc3ccccc31)N2C(=O)OC(C)(C)C ZINC001361009856 1066191974 /nfs/dbraw/zinc/19/19/74/1066191974.db2.gz ISJOCMQNKXTVKU-VXKWHMMOSA-N 0 0 456.583 4.947 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1SCCc2ccccc21)Nc1ccccc1F ZINC001361009822 1066192040 /nfs/dbraw/zinc/19/20/40/1066192040.db2.gz HNWFWWWLBGHSDN-QHCPKHFHSA-N 0 0 450.535 4.604 20 0 JJADRN CN(C(=O)c1cn(Cc2ccccn2)nn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001361009794 1066192052 /nfs/dbraw/zinc/19/20/52/1066192052.db2.gz GPXDEDGUPFJLOY-UHFFFAOYSA-N 0 0 452.345 4.890 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccon2)c(C)c1 ZINC001361010299 1066192663 /nfs/dbraw/zinc/19/26/63/1066192663.db2.gz AGDGPXBERHBMSC-OAQYLSRUSA-N 0 0 494.640 4.991 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)c1 ZINC001361010368 1066192798 /nfs/dbraw/zinc/19/27/98/1066192798.db2.gz BQXTWNFCHJHYJQ-INIZCTEOSA-N 0 0 465.545 4.867 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361011204 1066194089 /nfs/dbraw/zinc/19/40/89/1066194089.db2.gz LQRSSHUJUHMZBL-CALCHBBNSA-N 0 0 458.404 4.623 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cccn3C)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361011673 1066194768 /nfs/dbraw/zinc/19/47/68/1066194768.db2.gz ZLTQJDFJINHVPH-YADHBBJMSA-N 0 0 492.668 4.997 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCCC2)c(C)c1 ZINC001361011993 1066196016 /nfs/dbraw/zinc/19/60/16/1066196016.db2.gz LKKFBLCUBNKGGA-UHFFFAOYSA-N 0 0 489.624 4.506 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361012039 1066196042 /nfs/dbraw/zinc/19/60/42/1066196042.db2.gz MSKWIJSGLJEPKV-MYGLTJDJSA-N 0 0 483.657 4.636 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@H]2C)c(C)c1 ZINC001361012178 1066196774 /nfs/dbraw/zinc/19/67/74/1066196774.db2.gz RKXKQJRYVPJTMQ-XCIGCYOISA-N 0 0 497.684 4.755 20 0 JJADRN Cc1nc(C)c(Cn2c(N(C)CC(=O)Nc3c(C)cc(C)cc3C)nnc2C(C)(C)C)s1 ZINC001361012041 1066196829 /nfs/dbraw/zinc/19/68/29/1066196829.db2.gz MURSCJKVWPPPQD-UHFFFAOYSA-N 0 0 454.644 4.697 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)s1 ZINC001361012217 1066196864 /nfs/dbraw/zinc/19/68/64/1066196864.db2.gz TXBNBQQVRZLJIS-VWLOTQADSA-N 0 0 469.655 4.694 20 0 JJADRN Cc1cc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361012049 1066196917 /nfs/dbraw/zinc/19/69/17/1066196917.db2.gz NDBFCEATPMTZFT-QHCPKHFHSA-N 0 0 490.652 4.683 20 0 JJADRN Cc1cc(C)c(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1 ZINC001361012446 1066197379 /nfs/dbraw/zinc/19/73/79/1066197379.db2.gz YGKPJUPUFXRRDO-DEOSSOPVSA-N 0 0 465.686 4.973 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@](C)(O)CCC(C)C)c(C)c1 ZINC001361014175 1066200090 /nfs/dbraw/zinc/20/00/90/1066200090.db2.gz JEHYVLIIIJNLBK-MHZLTWQESA-N 0 0 478.641 4.527 20 0 JJADRN Cc1cc(C)cc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361014619 1066201275 /nfs/dbraw/zinc/20/12/75/1066201275.db2.gz GNBGHGKTHLUTJL-IBGZPJMESA-N 0 0 472.515 4.564 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361014948 1066202334 /nfs/dbraw/zinc/20/23/34/1066202334.db2.gz KZQNXPXOYYXVRF-QFIPXVFZSA-N 0 0 476.625 4.551 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361014947 1066202358 /nfs/dbraw/zinc/20/23/58/1066202358.db2.gz KZQNXPXOYYXVRF-JOCHJYFZSA-N 0 0 476.625 4.551 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2nccc(C(F)F)n2)c(C)c1 ZINC001361015051 1066202780 /nfs/dbraw/zinc/20/27/80/1066202780.db2.gz XZVDEYVDZXYRLM-UHFFFAOYSA-N 0 0 497.594 4.787 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC001361015079 1066202858 /nfs/dbraw/zinc/20/28/58/1066202858.db2.gz YURWDRYAOUWMBC-UHFFFAOYSA-N 0 0 452.628 4.667 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016350 1066204353 /nfs/dbraw/zinc/20/43/53/1066204353.db2.gz MRDVLSCEONIRHF-ATPOPXNDSA-N 0 0 450.623 4.508 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(-n2cccc2)ccc1Cl ZINC001361016891 1066205033 /nfs/dbraw/zinc/20/50/33/1066205033.db2.gz WZDBVPCFVKNRSA-RUZDIDTESA-N 0 0 457.961 4.788 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC(C)CC3)n2CC(C)(C)N2CCOCC2)c1 ZINC001361017898 1066207288 /nfs/dbraw/zinc/20/72/88/1066207288.db2.gz FKSDXTOOHADMKZ-UHFFFAOYSA-N 0 0 469.674 4.600 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(C)(C)C)n2CCC(=O)N2CCCCCC2)c1 ZINC001361017986 1066207325 /nfs/dbraw/zinc/20/73/25/1066207325.db2.gz HJQZOFFZXYIHRA-UHFFFAOYSA-N 0 0 455.647 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361018136 1066207385 /nfs/dbraw/zinc/20/73/85/1066207385.db2.gz IONFQBOQHJVFBK-IBGZPJMESA-N 0 0 457.619 4.576 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCCO[C@@H]2CCOC2)c1 ZINC001361019360 1066209251 /nfs/dbraw/zinc/20/92/51/1066209251.db2.gz ZQXYBWDPAHMAHP-ZUEZHPSSSA-N 0 0 456.631 4.684 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001361019092 1066209412 /nfs/dbraw/zinc/20/94/12/1066209412.db2.gz QSDIQMCKJSHQEX-WJOKGBTCSA-N 0 0 453.951 4.795 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361020631 1066210550 /nfs/dbraw/zinc/21/05/50/1066210550.db2.gz BGCYWLXJIVCSGO-IDISGSTGSA-N 0 0 478.641 4.575 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCOC(C)(C)C)c1 ZINC001361020784 1066211238 /nfs/dbraw/zinc/21/12/38/1066211238.db2.gz HSXDNZOXKWOMKO-UHFFFAOYSA-N 0 0 458.006 4.974 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361020671 1066211286 /nfs/dbraw/zinc/21/12/86/1066211286.db2.gz COXJGMGIWUZRBM-WMZHIEFXSA-N 0 0 455.628 4.628 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361020829 1066211651 /nfs/dbraw/zinc/21/16/51/1066211651.db2.gz JROLATQPUBEYLA-GGAORHGYSA-N 0 0 478.641 4.696 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccco2)c(C)o1 ZINC001361020965 1066212346 /nfs/dbraw/zinc/21/23/46/1066212346.db2.gz OJFZLVFGKQNNHA-AREMUKBSSA-N 0 0 464.566 4.821 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361020991 1066212563 /nfs/dbraw/zinc/21/25/63/1066212563.db2.gz PKEBASGKGFXSRT-GOSISDBHSA-N 0 0 497.562 4.872 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CCCCO2)c1 ZINC001361021392 1066214474 /nfs/dbraw/zinc/21/44/74/1066214474.db2.gz WRPGVANVMDFJCC-NRFANRHFSA-N 0 0 455.990 4.728 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC2([S@](C)=O)CCC2)c1 ZINC001361022139 1066216399 /nfs/dbraw/zinc/21/63/99/1066216399.db2.gz HESYRGAQJGCCJL-MNAQKMTRSA-N 0 0 456.656 4.568 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCSC(F)(F)F)c1 ZINC001361022116 1066216452 /nfs/dbraw/zinc/21/64/52/1066216452.db2.gz GTIUSCRQLXURGW-KRWDZBQOSA-N 0 0 458.550 4.590 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361022212 1066216821 /nfs/dbraw/zinc/21/68/21/1066216821.db2.gz JCPJLAXJFHOTSA-NRFANRHFSA-N 0 0 488.698 4.841 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCCc2ccccn2)s1 ZINC001361022200 1066216842 /nfs/dbraw/zinc/21/68/42/1066216842.db2.gz IYFKGFBGXMQOFU-UHFFFAOYSA-N 0 0 462.623 4.751 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)(F)F)c(C)o1 ZINC001361022296 1066217452 /nfs/dbraw/zinc/21/74/52/1066217452.db2.gz MDKJGKXGHRNLMD-HSZRJFAPSA-N 0 0 480.531 4.980 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCc4c3cccc4C(F)(F)F)c2)ccn1 ZINC000201609985 1066219364 /nfs/dbraw/zinc/21/93/64/1066219364.db2.gz UKYDKFNSKASUKM-UHFFFAOYSA-N 0 0 456.424 4.847 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361023739 1066219918 /nfs/dbraw/zinc/21/99/18/1066219918.db2.gz CLNIGHZKXVQZLW-WOJBJXKFSA-N 0 0 479.591 4.840 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361024012 1066220733 /nfs/dbraw/zinc/22/07/33/1066220733.db2.gz GNAJQZZUCZSSSR-NHCUHLMSSA-N 0 0 456.631 4.540 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)O[C@@H](C)C2 ZINC001442773056 1066221022 /nfs/dbraw/zinc/22/10/22/1066221022.db2.gz YUHANFYVXXRSFI-INIZCTEOSA-N 0 0 452.551 4.954 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)s1 ZINC001442774982 1066221103 /nfs/dbraw/zinc/22/11/03/1066221103.db2.gz FQOKZSRWCJWKGN-IAGOWNOFSA-N 0 0 450.605 4.619 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)O[C@@H](C)C2 ZINC001442772548 1066221265 /nfs/dbraw/zinc/22/12/65/1066221265.db2.gz WEFAHXGKUBHEMA-HOTGVXAUSA-N 0 0 455.555 4.774 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 ZINC001361024067 1066221233 /nfs/dbraw/zinc/22/12/33/1066221233.db2.gz HBOBSKQAFQEMSC-FOIQADDNSA-N 0 0 495.571 4.752 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361024090 1066221275 /nfs/dbraw/zinc/22/12/75/1066221275.db2.gz HQPOSEQUTCLTBD-WOJBJXKFSA-N 0 0 467.580 4.840 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC3(O)CCC(F)(F)CC3)cc12 ZINC001453932019 1066221881 /nfs/dbraw/zinc/22/18/81/1066221881.db2.gz LZKKOWLXSIKWTM-UHFFFAOYSA-N 0 0 453.942 4.778 20 0 JJADRN C[C@@H](CCOc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361024147 1066221982 /nfs/dbraw/zinc/22/19/82/1066221982.db2.gz SOHLJXKYXLNIIC-MHECFPHRSA-N 0 0 455.551 4.540 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001442776365 1066221950 /nfs/dbraw/zinc/22/19/50/1066221950.db2.gz YTMMRINGOWBVQH-HXUWFJFHSA-N 0 0 451.876 4.643 20 0 JJADRN O=C(c1ccc(I)c(F)c1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001442794613 1066222517 /nfs/dbraw/zinc/22/25/17/1066222517.db2.gz DSUVTAJKZNPPTP-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)c1 ZINC001453937246 1066222590 /nfs/dbraw/zinc/22/25/90/1066222590.db2.gz ZYHAQIGQIQXTOF-VWLOTQADSA-N 0 0 454.567 4.515 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[C@@H]2CCCCO2)c1 ZINC001361024724 1066222574 /nfs/dbraw/zinc/22/25/74/1066222574.db2.gz PHLXROSCAFFMLL-NRFANRHFSA-N 0 0 456.631 4.827 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)O1 ZINC001546056193 1066222714 /nfs/dbraw/zinc/22/27/14/1066222714.db2.gz CEGIQLCGVFPCTM-BWKNWUBXSA-N 0 0 469.655 4.935 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cs1 ZINC001361024620 1066222757 /nfs/dbraw/zinc/22/27/57/1066222757.db2.gz NWZBZMXWPGDKME-UZLBHIALSA-N 0 0 495.571 4.638 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCC(C)(F)F)c1 ZINC001361024938 1066223330 /nfs/dbraw/zinc/22/33/30/1066223330.db2.gz RMBULNZIVWKAJK-DOTOQJQBSA-N 0 0 462.463 4.675 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361024947 1066223380 /nfs/dbraw/zinc/22/33/80/1066223380.db2.gz RTXBQGKMQNPHMD-DHIUTWEWSA-N 0 0 467.658 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1 ZINC001361024939 1066223422 /nfs/dbraw/zinc/22/34/22/1066223422.db2.gz RMBULNZIVWKAJK-NVXWUHKLSA-N 0 0 462.463 4.675 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361025115 1066223861 /nfs/dbraw/zinc/22/38/61/1066223861.db2.gz WXFRODZKWAZEJN-PCCBWWKXSA-N 0 0 471.646 4.822 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)C2)c(O)cc1Cl ZINC001453953278 1066224528 /nfs/dbraw/zinc/22/45/28/1066224528.db2.gz YMTYFYJRCXZCPA-CQSZACIVSA-N 0 0 451.350 4.590 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cnn(C(C)C)c2I)cc1 ZINC001361025739 1066224775 /nfs/dbraw/zinc/22/47/75/1066224775.db2.gz NFHVACKENZUEHI-MAUKXSAKSA-N 0 0 451.352 4.990 20 0 JJADRN CC(C)(CNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)[C@]1(O)CCCOC1 ZINC001453952381 1066224614 /nfs/dbraw/zinc/22/46/14/1066224614.db2.gz PUXFBTUHJRBUGD-QHCPKHFHSA-N 0 0 452.378 4.870 20 0 JJADRN C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccccn1 ZINC001442802970 1066224688 /nfs/dbraw/zinc/22/46/88/1066224688.db2.gz OCIOIVREMYZDSQ-XOBRGWDASA-N 0 0 456.315 4.583 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cnn(C(C)C)c2I)cc1 ZINC001361025740 1066224823 /nfs/dbraw/zinc/22/48/23/1066224823.db2.gz NFHVACKENZUEHI-QAPCUYQASA-N 0 0 451.352 4.990 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1F ZINC001442805947 1066224988 /nfs/dbraw/zinc/22/49/88/1066224988.db2.gz BVDPTMMLSXBXKN-OAHLLOKOSA-N 0 0 458.877 4.727 20 0 JJADRN CCSC1(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 ZINC001453960441 1066225612 /nfs/dbraw/zinc/22/56/12/1066225612.db2.gz YQEDIZLCPQVFRF-QHCPKHFHSA-N 0 0 452.620 4.952 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)C(F)(F)c3ccccc3Br)co2)cc1 ZINC001442806194 1066225593 /nfs/dbraw/zinc/22/55/93/1066225593.db2.gz DXJDGXHXUSNUDX-UHFFFAOYSA-N 0 0 451.267 4.563 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC([C@H]4CC4(F)F)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361026424 1066226041 /nfs/dbraw/zinc/22/60/41/1066226041.db2.gz BIZJACMDIBLULI-OAQYLSRUSA-N 0 0 489.611 4.508 20 0 JJADRN CCc1ccc([C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026255 1066226205 /nfs/dbraw/zinc/22/62/05/1066226205.db2.gz CCNDXCBRWQQICD-PUAOIOHZSA-N 0 0 454.592 4.657 20 0 JJADRN O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442811966 1066226490 /nfs/dbraw/zinc/22/64/90/1066226490.db2.gz NASZXYFSCSCBJH-LBPRGKRZSA-N 0 0 452.820 4.529 20 0 JJADRN C[C@H](CC(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001453960704 1066226456 /nfs/dbraw/zinc/22/64/56/1066226456.db2.gz NCWKQLKQYDZQDQ-RTBURBONSA-N 0 0 454.652 4.876 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)CC2)c(OC)c1 ZINC001453969781 1066226712 /nfs/dbraw/zinc/22/67/12/1066226712.db2.gz GAOKGZJACZRBTJ-AWEZNQCLSA-N 0 0 451.922 4.678 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001453965751 1066226794 /nfs/dbraw/zinc/22/67/94/1066226794.db2.gz NKXIKXBNSLPBHT-IAGOWNOFSA-N 0 0 457.434 4.691 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCCCS2)c1 ZINC001361026708 1066226851 /nfs/dbraw/zinc/22/68/51/1066226851.db2.gz FJJJAZBXGOANDQ-QHCPKHFHSA-N 0 0 458.672 4.749 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCC[C@H]1CC1(Cl)Cl ZINC001453966636 1066226996 /nfs/dbraw/zinc/22/69/96/1066226996.db2.gz ADYIGJNEXDJOFC-AWEZNQCLSA-N 0 0 452.769 4.969 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1C ZINC001442821352 1066227133 /nfs/dbraw/zinc/22/71/33/1066227133.db2.gz YREUYSAAUVEQNB-HXUWFJFHSA-N 0 0 452.576 4.642 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@H]2Cc3ccccc3S2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027069 1066228314 /nfs/dbraw/zinc/22/83/14/1066228314.db2.gz MSCYNCDZGODZCK-RPWUZVMVSA-N 0 0 451.613 4.575 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001453978496 1066228480 /nfs/dbraw/zinc/22/84/80/1066228480.db2.gz ZEOCIXOAUBRDFH-UHFFFAOYSA-N 0 0 453.461 4.729 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001453977380 1066228689 /nfs/dbraw/zinc/22/86/89/1066228689.db2.gz ILSCUBTYJZOVTR-KRWDZBQOSA-N 0 0 453.605 4.927 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)c3ccccc3Nc3ccccc3)cc2)cc1 ZINC001453979293 1066228706 /nfs/dbraw/zinc/22/87/06/1066228706.db2.gz WJALZYQPYCZPHB-UHFFFAOYSA-N 0 0 451.526 4.891 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc1C ZINC001442835911 1066228992 /nfs/dbraw/zinc/22/89/92/1066228992.db2.gz DOSOYBKIAYFAIB-HXUWFJFHSA-N 0 0 452.576 4.642 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1 ZINC001361027274 1066228943 /nfs/dbraw/zinc/22/89/43/1066228943.db2.gz AKEKQJFXYFHTEA-RTWAWAEBSA-N 0 0 495.624 4.855 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361027219 1066229014 /nfs/dbraw/zinc/22/90/14/1066229014.db2.gz MBCSAIIVFUPXTG-NRFANRHFSA-N 0 0 450.631 4.884 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)C3)n2Cc2cccnc2OCC(F)(F)F)c1 ZINC001361027452 1066229477 /nfs/dbraw/zinc/22/94/77/1066229477.db2.gz NYCQXDTXUAXKHF-INIZCTEOSA-N 0 0 475.515 4.705 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001361027588 1066230379 /nfs/dbraw/zinc/23/03/79/1066230379.db2.gz PYPHGAGAGVFESV-FQEVSTJZSA-N 0 0 481.641 4.871 20 0 JJADRN COc1cc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c(Cl)cc1Br ZINC001453988122 1066230553 /nfs/dbraw/zinc/23/05/53/1066230553.db2.gz YSXMJHQNOIAXMB-MRXNPFEDSA-N 0 0 451.670 4.943 20 0 JJADRN Cc1cc(NC(=O)CCc2ccccc2N2CCOCC2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001442844476 1066230821 /nfs/dbraw/zinc/23/08/21/1066230821.db2.gz UUTHRMSJXFMHLV-UHFFFAOYSA-N 0 0 458.484 4.607 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc2)cc1 ZINC001453988624 1066230759 /nfs/dbraw/zinc/23/07/59/1066230759.db2.gz NNLGWMQHODELGG-UHFFFAOYSA-N 0 0 458.502 4.595 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)O1 ZINC001546057123 1066231096 /nfs/dbraw/zinc/23/10/96/1066231096.db2.gz NYFZYJVDTVHNRZ-HFZDXXHNSA-N 0 0 456.631 4.863 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)nc1C ZINC001454000389 1066231877 /nfs/dbraw/zinc/23/18/77/1066231877.db2.gz WZLWVZFNIRBATB-UHFFFAOYSA-N 0 0 459.955 4.804 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546057289 1066231916 /nfs/dbraw/zinc/23/19/16/1066231916.db2.gz PSPWCORYCUGNSE-CUNXSJBXSA-N 0 0 480.657 4.808 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)cs1 ZINC001442857835 1066232110 /nfs/dbraw/zinc/23/21/10/1066232110.db2.gz RMPKXUMDAMJOBT-UHFFFAOYSA-N 0 0 451.548 4.580 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCc3c(Br)cccc3C2)cc(C(F)(F)F)c1 ZINC001442858195 1066232228 /nfs/dbraw/zinc/23/22/28/1066232228.db2.gz KYULIMDVZINXJP-UHFFFAOYSA-N 0 0 457.246 4.845 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2cccnc2OCC(F)F)c1 ZINC001361028299 1066232454 /nfs/dbraw/zinc/23/24/54/1066232454.db2.gz XUJSQHUWKLDBNJ-RBUKOAKNSA-N 0 0 471.552 4.796 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028342 1066232629 /nfs/dbraw/zinc/23/26/29/1066232629.db2.gz YFVZEAHGCLNGSR-HHHXNRCGSA-N 0 0 469.674 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1cccc(OCc2cscn2)c1 ZINC001442862035 1066232889 /nfs/dbraw/zinc/23/28/89/1066232889.db2.gz YYRCXGFYFPIIPG-UHFFFAOYSA-N 0 0 452.536 4.667 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCOC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028523 1066233331 /nfs/dbraw/zinc/23/33/31/1066233331.db2.gz KETVUQDRTBPXTD-LVXARBLLSA-N 0 0 456.631 4.684 20 0 JJADRN Nc1c(F)cc(Br)cc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001442865292 1066233511 /nfs/dbraw/zinc/23/35/11/1066233511.db2.gz LYOIHHWUZWBWDS-UHFFFAOYSA-N 0 0 457.303 4.744 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001442866885 1066233783 /nfs/dbraw/zinc/23/37/83/1066233783.db2.gz FBXLHVRPOZADFN-KRWDZBQOSA-N 0 0 453.421 4.699 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CCCC(F)(F)F)c1 ZINC001361028576 1066234010 /nfs/dbraw/zinc/23/40/10/1066234010.db2.gz LLYYRVVIQYMBTO-XXBNENTESA-N 0 0 482.547 4.591 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454009760 1066234156 /nfs/dbraw/zinc/23/41/56/1066234156.db2.gz ZXWAPPUYGGZGIR-IQUTYRLHSA-N 0 0 473.397 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454009452 1066234270 /nfs/dbraw/zinc/23/42/70/1066234270.db2.gz ALLOJVOSMARUCX-JTSKRJEESA-N 0 0 458.505 4.743 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001454010160 1066234302 /nfs/dbraw/zinc/23/43/02/1066234302.db2.gz XINNKZLCEZXWAU-HSZRJFAPSA-N 0 0 456.558 4.908 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001442869543 1066234461 /nfs/dbraw/zinc/23/44/61/1066234461.db2.gz JSNMIMCLCJODJY-UHFFFAOYSA-N 0 0 456.514 4.617 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001454012120 1066234889 /nfs/dbraw/zinc/23/48/89/1066234889.db2.gz RPEWCIGOEYNFQD-OAHLLOKOSA-N 0 0 457.600 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2cc(-n3cccc3)ccc2F)CC1 ZINC001442881053 1066236183 /nfs/dbraw/zinc/23/61/83/1066236183.db2.gz OQGCDRMHEYZLRU-UHFFFAOYSA-N 0 0 454.502 4.971 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccnc(Cl)c2Cl)CC1 ZINC001442875908 1066236261 /nfs/dbraw/zinc/23/62/61/1066236261.db2.gz ZPVGKIHARCPUBL-UHFFFAOYSA-N 0 0 457.155 4.642 20 0 JJADRN O=C(/C=C\Sc1cc(F)ccc1F)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC001361029410 1066236623 /nfs/dbraw/zinc/23/66/23/1066236623.db2.gz ITIXBJQNUSBABC-FLIBITNWSA-N 0 0 454.502 4.604 20 0 JJADRN O=C(CNC(=O)c1ccccc1NCCc1ccc(Cl)cc1)Nc1cccc2cccnc21 ZINC001442889687 1066237878 /nfs/dbraw/zinc/23/78/78/1066237878.db2.gz VEDPYCZSOWRTCM-UHFFFAOYSA-N 0 0 458.949 4.911 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)CCC2 ZINC001454035852 1066238171 /nfs/dbraw/zinc/23/81/71/1066238171.db2.gz WPNHGYZTVPENRL-UHFFFAOYSA-N 0 0 456.951 4.742 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)O1 ZINC001546056854 1066238375 /nfs/dbraw/zinc/23/83/75/1066238375.db2.gz KRHXVVLTIYNWCQ-KCWPFWIISA-N 0 0 480.657 4.872 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)O1 ZINC001546056855 1066238388 /nfs/dbraw/zinc/23/83/88/1066238388.db2.gz KRHXVVLTIYNWCQ-WNCULLNHSA-N 0 0 480.657 4.872 20 0 JJADRN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001442910156 1066238567 /nfs/dbraw/zinc/23/85/67/1066238567.db2.gz QPPZNDFVYASSKE-FQEVSTJZSA-N 0 0 456.989 4.888 20 0 JJADRN Cc1ccoc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC=C(Br)C1 ZINC001361030960 1066238767 /nfs/dbraw/zinc/23/87/67/1066238767.db2.gz BWLKIXUWSAUMFS-UHFFFAOYSA-N 0 0 457.372 4.913 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)O1 ZINC001546057424 1066239033 /nfs/dbraw/zinc/23/90/33/1066239033.db2.gz RZVXLORWBAZOGA-VWQFJMCTSA-N 0 0 463.022 4.862 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC/C=C/c3ccc(Br)cc3)[nH]n2)c(OC)c1 ZINC001454042139 1066239729 /nfs/dbraw/zinc/23/97/29/1066239729.db2.gz BNNINYRWJWRDLZ-HWKANZROSA-N 0 0 456.340 4.690 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC[C@H]2CCCO2)c1 ZINC001361031161 1066240132 /nfs/dbraw/zinc/24/01/32/1066240132.db2.gz JLKJUDQFWAVOND-LEWJYISDSA-N 0 0 496.574 4.838 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC[C@H]2CCCO2)c1 ZINC001361031162 1066240174 /nfs/dbraw/zinc/24/01/74/1066240174.db2.gz JLKJUDQFWAVOND-NHCUHLMSSA-N 0 0 496.574 4.838 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCC2CC2)c1 ZINC001361031130 1066240242 /nfs/dbraw/zinc/24/02/42/1066240242.db2.gz IMYMTVJLLNHGJL-UHFFFAOYSA-N 0 0 469.630 4.768 20 0 JJADRN O=C(c1ccc(SC(F)(F)F)nc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442919370 1066240285 /nfs/dbraw/zinc/24/02/85/1066240285.db2.gz DGLVKUCZDFAKSN-CQSZACIVSA-N 0 0 452.433 4.902 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)O1 ZINC001546057471 1066240348 /nfs/dbraw/zinc/24/03/48/1066240348.db2.gz SIWXROFWOJKJOC-NFBKMPQASA-N 0 0 461.582 4.896 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)C(F)(F)c2ccccc2OC(C)C)CC1)c1ccccc1 ZINC001442923219 1066240769 /nfs/dbraw/zinc/24/07/69/1066240769.db2.gz LNJJJSIOWTYNPA-OAQYLSRUSA-N 0 0 458.549 4.867 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cccc(Nc4nccs4)c3)s2)c1 ZINC001442921800 1066240907 /nfs/dbraw/zinc/24/09/07/1066240907.db2.gz IPFJZIGCYLPVSU-UHFFFAOYSA-N 0 0 450.545 4.973 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H](C)c2cccc(Br)c2)CC1)c1ccccc1 ZINC001442919637 1066240982 /nfs/dbraw/zinc/24/09/82/1066240982.db2.gz GQJVEMITHHKMER-HTAPYJJXSA-N 0 0 457.412 4.854 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2occc2NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001442921649 1066241057 /nfs/dbraw/zinc/24/10/57/1066241057.db2.gz IRDKAJRIYKTHGI-IBGZPJMESA-N 0 0 455.555 4.541 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(C3)CCCCC4)n2CCCNC(=O)C(C)C)c1 ZINC001361031246 1066241039 /nfs/dbraw/zinc/24/10/39/1066241039.db2.gz MEELZJOBQUVAKK-UHFFFAOYSA-N 0 0 467.658 4.797 20 0 JJADRN CC(C)COC(=O)N1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC001442924049 1066241722 /nfs/dbraw/zinc/24/17/22/1066241722.db2.gz DKJFYMYZQPXAAT-UHFFFAOYSA-N 0 0 451.542 4.843 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361031389 1066241783 /nfs/dbraw/zinc/24/17/83/1066241783.db2.gz QCLFPERIOCWDTM-WZONZLPQSA-N 0 0 478.515 4.753 20 0 JJADRN CCc1c(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001454058549 1066241887 /nfs/dbraw/zinc/24/18/87/1066241887.db2.gz CMEDUJFQKRDDHO-VOIUYBSRSA-N 0 0 458.990 4.608 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361031579 1066242292 /nfs/dbraw/zinc/24/22/92/1066242292.db2.gz VWBZHKXJROCIJR-OAQYLSRUSA-N 0 0 489.611 4.748 20 0 JJADRN CCC(CC)(C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1)c1ccc(Cl)cc1 ZINC001442927986 1066242521 /nfs/dbraw/zinc/24/25/21/1066242521.db2.gz ZUARMFNIIVDFKC-UHFFFAOYSA-N 0 0 455.002 4.788 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)O1 ZINC001546057581 1066242785 /nfs/dbraw/zinc/24/27/85/1066242785.db2.gz UVLQLSIXPFBMOP-XUZZJYLKSA-N 0 0 455.990 4.890 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCSC(F)(F)F)c1 ZINC001361031677 1066243183 /nfs/dbraw/zinc/24/31/83/1066243183.db2.gz YKPUHYOWOYJJMM-IEBWSBKVSA-N 0 0 470.561 4.732 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001454073171 1066243209 /nfs/dbraw/zinc/24/32/09/1066243209.db2.gz XACKAVCGRKDORH-DWXRJYCRSA-N 0 0 451.567 4.958 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001454073186 1066243537 /nfs/dbraw/zinc/24/35/37/1066243537.db2.gz XACKAVCGRKDORH-WXTAPIANSA-N 0 0 451.567 4.958 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cccc4cccc(Br)c43)C2)s1 ZINC001454090391 1066244068 /nfs/dbraw/zinc/24/40/68/1066244068.db2.gz LFOSLPPRMQCVDR-AWEZNQCLSA-N 0 0 459.365 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3ccc(OC4CCCC4)nc3)cccc2C1 ZINC001442941107 1066244509 /nfs/dbraw/zinc/24/45/09/1066244509.db2.gz NTIFFWULXMBCFK-UHFFFAOYSA-N 0 0 451.567 4.877 20 0 JJADRN O=C(CC(F)(F)F)N1CCC(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)CC1 ZINC001442942175 1066244599 /nfs/dbraw/zinc/24/45/99/1066244599.db2.gz RDMUGAWDLUGWHW-UHFFFAOYSA-N 0 0 451.316 4.865 20 0 JJADRN CCCc1sc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1Br ZINC001454092349 1066244629 /nfs/dbraw/zinc/24/46/29/1066244629.db2.gz OKSZUJNTMDAMDK-LLVKDONJSA-N 0 0 457.415 4.726 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546057812 1066244796 /nfs/dbraw/zinc/24/47/96/1066244796.db2.gz XMFJMKUTBNWNNS-SQJMNOBHSA-N 0 0 458.672 4.751 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCOC(F)F)C2)n1 ZINC001361032163 1066244991 /nfs/dbraw/zinc/24/49/91/1066244991.db2.gz MMFJMSBLPYOFOS-NRFANRHFSA-N 0 0 488.583 4.758 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC3(C)C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361032069 1066245081 /nfs/dbraw/zinc/24/50/81/1066245081.db2.gz KCPGAQREWVWLHB-UHFFFAOYSA-N 0 0 453.631 4.692 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CCC(C)(C)CC3)nnc2-c2ccc(C)cc2)cc1 ZINC001442955339 1066245085 /nfs/dbraw/zinc/24/50/85/1066245085.db2.gz JMNJVMNIWYWDRG-UHFFFAOYSA-N 0 0 450.608 4.992 20 0 JJADRN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545952841 1066245109 /nfs/dbraw/zinc/24/51/09/1066245109.db2.gz PGLPUMDQIZWIMT-RXVVDRJESA-N 0 0 485.629 4.812 20 0 JJADRN O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2ccccc2NCCC2=CCCCC2)CC1 ZINC001442950720 1066245131 /nfs/dbraw/zinc/24/51/31/1066245131.db2.gz IOUXIXQJHCKBJZ-UHFFFAOYSA-N 0 0 453.533 4.865 20 0 JJADRN O=C(NCc1ccc(OC2CCCCC2)cc1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001442955116 1066245176 /nfs/dbraw/zinc/24/51/76/1066245176.db2.gz VCSZMDKBRHDXMJ-NLRVBDNBSA-N 0 0 455.558 4.880 20 0 JJADRN O=C(Cc1ccc(NC(=O)[C@@H](O)c2ccccc2C(F)(F)F)cc1)N1CCc2ccccc21 ZINC001442958076 1066245701 /nfs/dbraw/zinc/24/57/01/1066245701.db2.gz AMQIDKUDXXYMFT-QHCPKHFHSA-N 0 0 454.448 4.509 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001442956313 1066245721 /nfs/dbraw/zinc/24/57/21/1066245721.db2.gz IBMQNMWCKHNCRB-OPAMFIHVSA-N 0 0 455.396 4.992 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC3(C)C)n2CCOCC(F)(F)C(F)F)c1 ZINC001361032184 1066245807 /nfs/dbraw/zinc/24/58/07/1066245807.db2.gz NHMLLYSABZHWAW-UHFFFAOYSA-N 0 0 458.500 4.770 20 0 JJADRN CC(C)[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H](O)c1ccc(Cl)cc1 ZINC001454109839 1066246100 /nfs/dbraw/zinc/24/61/00/1066246100.db2.gz RGSMDGODYKWRJC-OALUTQOASA-N 0 0 453.757 4.716 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001442959373 1066246227 /nfs/dbraw/zinc/24/62/27/1066246227.db2.gz NLUZREBMGGJYNE-CVDCTZTESA-N 0 0 459.631 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC(C)(C)C3)n2CCCOCC2CCOCC2)c1 ZINC001361032583 1066246389 /nfs/dbraw/zinc/24/63/89/1066246389.db2.gz SGMGOJSZVNUDAM-UHFFFAOYSA-N 0 0 470.658 4.934 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC001361032452 1066246405 /nfs/dbraw/zinc/24/64/05/1066246405.db2.gz BHZIAHCSHLJKCJ-KRWDZBQOSA-N 0 0 459.512 4.871 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001454109504 1066246188 /nfs/dbraw/zinc/24/61/88/1066246188.db2.gz QOXKXOXVCZAJLH-IEBWSBKVSA-N 0 0 450.764 4.547 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@@H](C(C)C)[C@@H](O)c3ccc(Cl)cc3)n2)cc1 ZINC001454107796 1066246234 /nfs/dbraw/zinc/24/62/34/1066246234.db2.gz PCZBCWBKFQZQFQ-GOTSBHOMSA-N 0 0 457.958 4.596 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361032732 1066246781 /nfs/dbraw/zinc/24/67/81/1066246781.db2.gz UOHVPXGOJLWYIZ-ZBLYBZFDSA-N 0 0 496.656 4.771 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361032731 1066246877 /nfs/dbraw/zinc/24/68/77/1066246877.db2.gz UOHVPXGOJLWYIZ-KDYSTLNUSA-N 0 0 496.656 4.771 20 0 JJADRN Cc1cccc(-c2cccc(CNC(=O)CS(=O)(=O)Nc3ccc(OC(C)C)cc3)c2)c1 ZINC001442965177 1066246938 /nfs/dbraw/zinc/24/69/38/1066246938.db2.gz OZPWTTMUMVDUKB-UHFFFAOYSA-N 0 0 452.576 4.507 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)C1 ZINC001442965326 1066247079 /nfs/dbraw/zinc/24/70/79/1066247079.db2.gz RETFPUMHPSBLRL-FYYLOGMGSA-N 0 0 477.605 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001454117573 1066247189 /nfs/dbraw/zinc/24/71/89/1066247189.db2.gz LMZYZAGGPSUUDB-LWDTVCSHSA-N 0 0 458.599 4.563 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC001454119080 1066248018 /nfs/dbraw/zinc/24/80/18/1066248018.db2.gz MBVFXMZFMDCIBI-QHCPKHFHSA-N 0 0 458.606 4.787 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1 ZINC001361032898 1066248082 /nfs/dbraw/zinc/24/80/82/1066248082.db2.gz JIEMTAURUNKAQW-UHFFFAOYSA-N 0 0 456.546 4.955 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2CCCC(F)(F)F)c1 ZINC001361032928 1066248345 /nfs/dbraw/zinc/24/83/45/1066248345.db2.gz WEQSADMTJHZIEO-VQTJNVASSA-N 0 0 452.521 4.964 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)Nc2csc(-c3ccc(Br)cc3)n2)cc1 ZINC001454128774 1066248315 /nfs/dbraw/zinc/24/83/15/1066248315.db2.gz CPRFZMBZKMNZFV-GOSISDBHSA-N 0 0 458.381 4.794 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)CC[C@@H]2[C@H](C)Nc3ccnn3[C@H]2C)cc1OC ZINC001442976607 1066248884 /nfs/dbraw/zinc/24/88/84/1066248884.db2.gz VXHBSAMVSPTUNI-BLKABHOGSA-N 0 0 454.615 4.686 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001361033082 1066249010 /nfs/dbraw/zinc/24/90/10/1066249010.db2.gz XUZKXRANTAFHOI-LJQANCHMSA-N 0 0 479.625 4.822 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2csc(-c3ccc(Br)cc3)n2)cc1 ZINC001454137861 1066249458 /nfs/dbraw/zinc/24/94/58/1066249458.db2.gz 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ZINC001443099570 1066267572 /nfs/dbraw/zinc/26/75/72/1066267572.db2.gz MPYCNFHUNGELJN-OAQYLSRUSA-N 0 0 451.454 4.610 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCOc2cc(C)cc(C)c2)cs1 ZINC001361043048 1066268056 /nfs/dbraw/zinc/26/80/56/1066268056.db2.gz ZPFIKZUODVIPCR-UHFFFAOYSA-N 0 0 491.665 4.879 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 ZINC001443100580 1066268186 /nfs/dbraw/zinc/26/81/86/1066268186.db2.gz GWCUUKFOPQYHGM-IIBYNOLFSA-N 0 0 458.986 4.523 20 0 JJADRN COc1ccccc1[C@H]1CCCN1C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001443100570 1066268223 /nfs/dbraw/zinc/26/82/23/1066268223.db2.gz PEBYYYFGAKGKHV-HSZRJFAPSA-N 0 0 450.579 4.895 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N3CCCN(C(=O)CCc4ccccc4)CC3)nnc2C(C)(C)C)O1 ZINC001546059698 1066268953 /nfs/dbraw/zinc/26/89/53/1066268953.db2.gz ONKGPZXQGHAAIC-LXFBAYGMSA-N 0 0 481.685 4.595 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCCn1cncc1-c1ccccc1 ZINC001454320729 1066269487 /nfs/dbraw/zinc/26/94/87/1066269487.db2.gz JSYIQOQWXOXODM-UHFFFAOYSA-N 0 0 455.381 4.671 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCCN(Cc4cscn4)CC3)s2)cc1 ZINC001443118257 1066270226 /nfs/dbraw/zinc/27/02/26/1066270226.db2.gz YOUDPUUWXJEKFB-UHFFFAOYSA-N 0 0 456.637 4.576 20 0 JJADRN CCOC(=O)[C@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CCC1(F)F ZINC001454328804 1066270135 /nfs/dbraw/zinc/27/01/35/1066270135.db2.gz MDAOFXCKBDJAHI-APWZRJJASA-N 0 0 455.860 4.646 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545954606 1066270899 /nfs/dbraw/zinc/27/08/99/1066270899.db2.gz HPQNZQKYOZQJMN-YPAWHYETSA-N 0 0 471.646 4.739 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(Cc2cccc(F)c2)C(C)C)O1 ZINC001546059969 1066270993 /nfs/dbraw/zinc/27/09/93/1066270993.db2.gz TUZBWZQVIJUGRU-PETUGJSASA-N 0 0 474.621 4.904 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N(C)Cc3cnn(Cc4ccccc4)c3)nnc2C(C)(C)C)O1 ZINC001546059887 1066271039 /nfs/dbraw/zinc/27/10/39/1066271039.db2.gz SFRNDCQHCUXBSN-ATIYNZHBSA-N 0 0 450.631 4.805 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361045658 1066271103 /nfs/dbraw/zinc/27/11/03/1066271103.db2.gz FDQZMAIXPSJORZ-XIFFEERXSA-N 0 0 465.623 4.887 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546060025 1066271786 /nfs/dbraw/zinc/27/17/86/1066271786.db2.gz ULSBJNGQBFZNEY-RBISFHTESA-N 0 0 499.675 4.904 20 0 JJADRN O=C(CCN1CSCCSC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001454334999 1066271827 /nfs/dbraw/zinc/27/18/27/1066271827.db2.gz NGNKQTFQWWFSIB-UHFFFAOYSA-N 0 0 457.543 4.596 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cn1)c1ccccc1 ZINC001443129448 1066271767 /nfs/dbraw/zinc/27/17/67/1066271767.db2.gz CCNVBKFZBRBRSK-HRAATJIYSA-N 0 0 451.523 4.515 20 0 JJADRN O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1)Oc1ccccc1 ZINC001443126640 1066271823 /nfs/dbraw/zinc/27/18/23/1066271823.db2.gz WHLFVMCWBFKUHX-UHFFFAOYSA-N 0 0 459.333 4.572 20 0 JJADRN CCn1c(Br)ncc1C(=O)N[C@@H](C)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001443137633 1066272216 /nfs/dbraw/zinc/27/22/16/1066272216.db2.gz PQHYIVJZZNVMDI-KRWDZBQOSA-N 0 0 456.384 4.914 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136306 1066272264 /nfs/dbraw/zinc/27/22/64/1066272264.db2.gz JYAWETKJECRNNC-AVRWGWEMSA-N 0 0 455.574 4.624 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCCOC2CCCCC2)c2ccccc2n1 ZINC001361045847 1066272554 /nfs/dbraw/zinc/27/25/54/1066272554.db2.gz LRUCSDNBRJOZOK-UHFFFAOYSA-N 0 0 478.641 4.502 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001454341794 1066272947 /nfs/dbraw/zinc/27/29/47/1066272947.db2.gz OYLNCAPXNVWIEC-OAQYLSRUSA-N 0 0 457.596 4.688 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)O1 ZINC001546060189 1066273867 /nfs/dbraw/zinc/27/38/67/1066273867.db2.gz WOAJEDISBOVIRQ-SKPHWETLSA-N 0 0 488.595 4.700 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443155218 1066275210 /nfs/dbraw/zinc/27/52/10/1066275210.db2.gz RRDPEPNEOGMBEH-KUCQQTCKSA-N 0 0 453.377 4.990 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3NC(=O)c3ccoc3C)CCO2)cc1 ZINC001454354189 1066275284 /nfs/dbraw/zinc/27/52/84/1066275284.db2.gz LHPYTINYLJIFJL-JOCHJYFZSA-N 0 0 454.910 4.716 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)cc1Cl ZINC001454361332 1066275705 /nfs/dbraw/zinc/27/57/05/1066275705.db2.gz WYDWUBFDGSXIMK-MRXNPFEDSA-N 0 0 451.995 4.541 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1 ZINC001361046926 1066276271 /nfs/dbraw/zinc/27/62/71/1066276271.db2.gz PGKLVNFNGJIJJF-IAGOWNOFSA-N 0 0 454.548 4.928 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001361046764 1066276485 /nfs/dbraw/zinc/27/64/85/1066276485.db2.gz LLICUEGUFKNZBT-AWEZNQCLSA-N 0 0 455.150 4.839 20 0 JJADRN COCCCOc1cccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C ZINC001443166143 1066276569 /nfs/dbraw/zinc/27/65/69/1066276569.db2.gz NLNZLRJTPUILFK-QHCPKHFHSA-N 0 0 456.970 4.652 20 0 JJADRN O=C(NCc1ccnc(Br)c1)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC001454402018 1066278557 /nfs/dbraw/zinc/27/85/57/1066278557.db2.gz ZPDPVNQMAJGUFC-UHFFFAOYSA-N 0 0 451.299 4.766 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 ZINC001443200413 1066278604 /nfs/dbraw/zinc/27/86/04/1066278604.db2.gz FYMDCKQDOYTQTG-UHFFFAOYSA-N 0 0 456.340 4.694 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCSCC(C)C)c2ccccc2n1 ZINC001361048867 1066278972 /nfs/dbraw/zinc/27/89/72/1066278972.db2.gz LPLQNLGRIOBSMT-SZPZYZBQSA-N 0 0 496.725 4.736 20 0 JJADRN CCc1c(C(=O)N2CC(Cc3cccc(Br)c3)C2)nnn1-c1cccc(Cl)c1 ZINC001454406677 1066279081 /nfs/dbraw/zinc/27/90/81/1066279081.db2.gz ZEJFSWLMAMLJMW-UHFFFAOYSA-N 0 0 459.775 4.560 20 0 JJADRN Cc1cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 ZINC001361048900 1066279637 /nfs/dbraw/zinc/27/96/37/1066279637.db2.gz MLJLUYNRIMOULX-UHFFFAOYSA-N 0 0 486.542 4.663 20 0 JJADRN Cc1occc1-c1cc(NC(=O)CCSc2ccnc3cc(Cl)ccc32)n(CCO)n1 ZINC001443210601 1066280422 /nfs/dbraw/zinc/28/04/22/1066280422.db2.gz XZPMWVXRSNDZIF-UHFFFAOYSA-N 0 0 456.955 4.766 20 0 JJADRN O=C(CSc1ncnc2scc(-c3ccccc3)c21)NCC(=O)c1cccc(F)c1F ZINC001454412298 1066280690 /nfs/dbraw/zinc/28/06/90/1066280690.db2.gz NEEHEECLSQULGC-UHFFFAOYSA-N 0 0 455.511 4.728 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCSCC(F)(F)F)c2ccccc2n1 ZINC001361049231 1066280726 /nfs/dbraw/zinc/28/07/26/1066280726.db2.gz WZOFFSJTKXXBRG-HZPDHXFCSA-N 0 0 465.545 4.711 20 0 JJADRN C/C=C/C[C@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001454414975 1066280761 /nfs/dbraw/zinc/28/07/61/1066280761.db2.gz UFMJKQDBZMAJHB-IBUXWKBASA-N 0 0 457.294 4.867 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361049296 1066281282 /nfs/dbraw/zinc/28/12/82/1066281282.db2.gz YYGNFWLXCCGHJQ-BVFVYWQFSA-N 0 0 451.615 4.603 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCCCCS(C)(=O)=O)c2ccccc2n1 ZINC001361049460 1066282014 /nfs/dbraw/zinc/28/20/14/1066282014.db2.gz FCWIWVQXQBWFSV-HSZRJFAPSA-N 0 0 469.655 4.641 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC(=O)NC(C)C)c2ccccc2n1 ZINC001361049584 1066282553 /nfs/dbraw/zinc/28/25/53/1066282553.db2.gz JMXPLNZQUCXRJQ-HXUWFJFHSA-N 0 0 478.641 4.500 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 ZINC001443247900 1066283380 /nfs/dbraw/zinc/28/33/80/1066283380.db2.gz UHCQFHBVXQPRLQ-UHFFFAOYSA-N 0 0 456.340 4.694 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)N3CCN(Cc4ccc(O)c(Cl)c4)CC3)c2)c1 ZINC001454456257 1066284381 /nfs/dbraw/zinc/28/43/81/1066284381.db2.gz XTVGPZSVLZUTQT-UHFFFAOYSA-N 0 0 450.966 4.891 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001443251221 1066284271 /nfs/dbraw/zinc/28/42/71/1066284271.db2.gz ZJPNYWVAUWHAQW-RUZDIDTESA-N 0 0 457.530 4.581 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H]3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050056 1066284323 /nfs/dbraw/zinc/28/43/23/1066284323.db2.gz SNOOYVVNYPMZTH-IEBWSBKVSA-N 0 0 464.614 4.951 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCCCc2nc(-c3cccnc3)cs2)C1 ZINC001443258128 1066285055 /nfs/dbraw/zinc/28/50/55/1066285055.db2.gz ZDIBHGMFLJSKLT-PXNSSMCTSA-N 0 0 458.628 4.680 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC001443257774 1066285108 /nfs/dbraw/zinc/28/51/08/1066285108.db2.gz VOXXYXVMHQQPCH-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCC(C)C)c2ccccc2n1 ZINC001361050309 1066284960 /nfs/dbraw/zinc/28/49/60/1066284960.db2.gz XGXOUGDYFAXIBI-UHFFFAOYSA-N 0 0 460.548 4.922 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1C(F)F ZINC001454458788 1066285156 /nfs/dbraw/zinc/28/51/56/1066285156.db2.gz DOJCHDZCCGOWIW-QGTPRVQTSA-N 0 0 454.562 4.631 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001454462283 1066285683 /nfs/dbraw/zinc/28/56/83/1066285683.db2.gz OJFREOMOBJNASK-LAUBAEHRSA-N 0 0 480.895 4.844 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)c21 ZINC001454462284 1066286031 /nfs/dbraw/zinc/28/60/31/1066286031.db2.gz KCKIKVLTEQZLOA-IMRHEYAYSA-N 0 0 455.599 4.649 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccn(C)c2-c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051717 1066286314 /nfs/dbraw/zinc/28/63/14/1066286314.db2.gz YWIBGXVXRDXLMC-RUZDIDTESA-N 0 0 458.583 4.923 20 0 JJADRN CCc1c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cnn1-c1ccccc1 ZINC001454465414 1066286431 /nfs/dbraw/zinc/28/64/31/1066286431.db2.gz MEBUVVJAZKKRBN-QIJUGHKUSA-N 0 0 452.599 4.589 20 0 JJADRN O=C(c1cc(F)c(Br)c(Cl)c1)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001454466378 1066286447 /nfs/dbraw/zinc/28/64/47/1066286447.db2.gz KXOFUMJIGIPABN-UHFFFAOYSA-N 0 0 450.739 4.681 20 0 JJADRN COC[C@@H](C)N(C(=O)CSc1nccn1-c1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC001454466167 1066286746 /nfs/dbraw/zinc/28/67/46/1066286746.db2.gz FBSQSMGYTXKLPQ-JPYJTQIMSA-N 0 0 451.592 4.524 20 0 JJADRN Cc1cc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361051817 1066287029 /nfs/dbraw/zinc/28/70/29/1066287029.db2.gz BHEJVVSBQUCDSG-IRXDYDNUSA-N 0 0 478.588 4.626 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546061969 1066287351 /nfs/dbraw/zinc/28/73/51/1066287351.db2.gz IFVUISAZNRKMDH-HMAOPQBPSA-N 0 0 450.624 4.731 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(F)(F)C2)no1 ZINC001361052440 1066287812 /nfs/dbraw/zinc/28/78/12/1066287812.db2.gz QUXSSEZVDBNGLS-KRWDZBQOSA-N 0 0 458.513 4.515 20 0 JJADRN CC[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCOC1)OC ZINC001545956432 1066288552 /nfs/dbraw/zinc/28/85/52/1066288552.db2.gz CCTOWRGRQOBTFO-QUCCMNQESA-N 0 0 455.628 4.665 20 0 JJADRN CC(C)[C@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1cccc(Cl)c1 ZINC001454474817 1066288579 /nfs/dbraw/zinc/28/85/79/1066288579.db2.gz VLTDOMRBRNXMCN-NRFANRHFSA-N 0 0 452.904 4.969 20 0 JJADRN CC[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCOC1)OC ZINC001545956433 1066288601 /nfs/dbraw/zinc/28/86/01/1066288601.db2.gz CCTOWRGRQOBTFO-UYAOXDASSA-N 0 0 455.628 4.665 20 0 JJADRN CC[C@H](C(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)N(C)C(=O)OC(C)(C)C ZINC001443281799 1066289094 /nfs/dbraw/zinc/28/90/94/1066289094.db2.gz BRSDBFPFHZCCIO-HSZRJFAPSA-N 0 0 456.583 4.878 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361053331 1066289098 /nfs/dbraw/zinc/28/90/98/1066289098.db2.gz FXSBZYLAKWFWIS-HHHXNRCGSA-N 0 0 497.640 4.615 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361053266 1066289114 /nfs/dbraw/zinc/28/91/14/1066289114.db2.gz DDVNDRHNWBWGGO-BVAGGSTKSA-N 0 0 456.631 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC001454476278 1066289257 /nfs/dbraw/zinc/28/92/57/1066289257.db2.gz PLXXMKDSXDLCHE-KRWDZBQOSA-N 0 0 455.368 4.509 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)no1 ZINC001361053520 1066289513 /nfs/dbraw/zinc/28/95/13/1066289513.db2.gz KEPKORYKVZOZBI-HNNXBMFYSA-N 0 0 490.461 4.952 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)c1 ZINC001361053692 1066289723 /nfs/dbraw/zinc/28/97/23/1066289723.db2.gz PFJQMRRBDNAPDF-NRFANRHFSA-N 0 0 472.577 4.559 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)c2cccs2)no1 ZINC001361054657 1066290242 /nfs/dbraw/zinc/29/02/42/1066290242.db2.gz ANTRVLNMEHZZFG-NRFANRHFSA-N 0 0 488.411 4.610 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(CC)(CC)c2ccccc2)c1 ZINC001361054204 1066290254 /nfs/dbraw/zinc/29/02/54/1066290254.db2.gz HAGFOLCQLVFQGO-UHFFFAOYSA-N 0 0 451.032 4.858 20 0 JJADRN C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443293023 1066290367 /nfs/dbraw/zinc/29/03/67/1066290367.db2.gz LQJDRVCKMNZDFR-GCJKJVERSA-N 0 0 458.002 4.891 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N[C@H](CCO)c3cc(Cl)cc(Cl)c3)n2)c1 ZINC001454481389 1066290841 /nfs/dbraw/zinc/29/08/41/1066290841.db2.gz UQTFQEXRJVDFJI-QGZVFWFLSA-N 0 0 452.363 4.684 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)Oc1ccccc1F ZINC001545956762 1066291150 /nfs/dbraw/zinc/29/11/50/1066291150.db2.gz IUMCPBOYHMFUMG-CRAIPNDOSA-N 0 0 450.967 4.876 20 0 JJADRN COc1cccc([C@H](O)C2CCN(C(=O)CSc3ccc(Br)cc3)CC2)c1 ZINC001454486932 1066291468 /nfs/dbraw/zinc/29/14/68/1066291468.db2.gz GHYYGBXXADARKJ-OAQYLSRUSA-N 0 0 450.398 4.522 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001546062131 1066291484 /nfs/dbraw/zinc/29/14/84/1066291484.db2.gz LGHNFQPBCJUSPZ-GAJHUEQPSA-N 0 0 481.062 4.523 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCCCCO)c1 ZINC001361054793 1066291551 /nfs/dbraw/zinc/29/15/51/1066291551.db2.gz GNGKWYSMRWESOJ-UHFFFAOYSA-N 0 0 460.420 4.544 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001546062133 1066291921 /nfs/dbraw/zinc/29/19/21/1066291921.db2.gz LGHNFQPBCJUSPZ-SBUREZEXSA-N 0 0 481.062 4.523 20 0 JJADRN C/C(=C/C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001443298897 1066291891 /nfs/dbraw/zinc/29/18/91/1066291891.db2.gz DDLWTFCGINSDFU-KAMYIIQDSA-N 0 0 454.290 4.615 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361054914 1066292099 /nfs/dbraw/zinc/29/20/99/1066292099.db2.gz KNXJRFSRZVPPPH-MJGOQNOKSA-N 0 0 472.431 4.664 20 0 JJADRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccnc(Cl)c1Br ZINC001443298987 1066291953 /nfs/dbraw/zinc/29/19/53/1066291953.db2.gz DBTGHDFYDBTORU-UHFFFAOYSA-N 0 0 456.683 4.550 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC001443303567 1066292503 /nfs/dbraw/zinc/29/25/03/1066292503.db2.gz OHBJUOUZWKLHID-XUZZJYLKSA-N 0 0 456.652 4.570 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c(C)n1Cc1ccccc1 ZINC001454493402 1066292725 /nfs/dbraw/zinc/29/27/25/1066292725.db2.gz VMRDUHOTBOLMDG-DHIUTWEWSA-N 0 0 453.380 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C1 ZINC001443303791 1066292990 /nfs/dbraw/zinc/29/29/90/1066292990.db2.gz MHXGTHJNZFWZNV-FUHWJXTLSA-N 0 0 463.534 4.509 20 0 JJADRN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443303618 1066293104 /nfs/dbraw/zinc/29/31/04/1066293104.db2.gz OPHGNPKOJIYWLD-BVYCBKJFSA-N 0 0 455.396 4.720 20 0 JJADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001454497050 1066293106 /nfs/dbraw/zinc/29/31/06/1066293106.db2.gz CZCFPTLLFLFFDY-INIZCTEOSA-N 0 0 458.527 4.797 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCOCCC(C)C)no1 ZINC001361055067 1066293252 /nfs/dbraw/zinc/29/32/52/1066293252.db2.gz QQBOMHVCENJEIO-UHFFFAOYSA-N 0 0 480.382 4.842 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCCO)no1 ZINC001361055105 1066293294 /nfs/dbraw/zinc/29/32/94/1066293294.db2.gz RRVBFRRJFJBWLH-UHFFFAOYSA-N 0 0 462.392 4.502 20 0 JJADRN CCCc1c(C(=O)NCc2c3ccccc3sc2C(=O)OC)cnn1-c1ccc(F)cc1 ZINC001443314714 1066294466 /nfs/dbraw/zinc/29/44/66/1066294466.db2.gz YKCSIHQLWKCNND-UHFFFAOYSA-N 0 0 451.523 4.895 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC001361056095 1066294909 /nfs/dbraw/zinc/29/49/09/1066294909.db2.gz CHLBWLBVKVXPJE-AWEZNQCLSA-N 0 0 492.983 4.926 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 ZINC001546062673 1066295657 /nfs/dbraw/zinc/29/56/57/1066295657.db2.gz VIBCSMIDJNZDFW-NIYFSFCBSA-N 0 0 462.598 4.754 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC001361056096 1066295811 /nfs/dbraw/zinc/29/58/11/1066295811.db2.gz CHLBWLBVKVXPJE-CQSZACIVSA-N 0 0 492.983 4.926 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001361056234 1066295863 /nfs/dbraw/zinc/29/58/63/1066295863.db2.gz IQSMQSSUEVUPIK-UHFFFAOYSA-N 0 0 450.587 4.590 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1cccc(COC2CCOCC2)c1)c1cccs1 ZINC001443333382 1066295973 /nfs/dbraw/zinc/29/59/73/1066295973.db2.gz IHSKFTOCZZMZBC-UHFFFAOYSA-N 0 0 450.560 4.626 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2c(C)nn(C)c2C)no1 ZINC001361056515 1066296308 /nfs/dbraw/zinc/29/63/08/1066296308.db2.gz SHVZHIGFTPVXTR-UHFFFAOYSA-N 0 0 477.613 4.701 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361056351 1066296518 /nfs/dbraw/zinc/29/65/18/1066296518.db2.gz MWFTUEHQYAPFDG-NZQKXSOJSA-N 0 0 476.625 4.930 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@H](O)C2)no1 ZINC001361056705 1066296927 /nfs/dbraw/zinc/29/69/27/1066296927.db2.gz ZWYBGPRMSWUWGD-YOEHRIQHSA-N 0 0 450.370 4.736 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3C)n2CCCc2ccnc(C(C)(C)C)n2)no1 ZINC001361056681 1066297016 /nfs/dbraw/zinc/29/70/16/1066297016.db2.gz YVDKOUWIYJXQLL-UHFFFAOYSA-N 0 0 459.598 4.907 20 0 JJADRN CCc1c(C(=O)NC(C)(C)Cc2cccc(Br)c2)nnn1Cc1ccc(F)cc1 ZINC001361056710 1066297208 /nfs/dbraw/zinc/29/72/08/1066297208.db2.gz AATXZGZDYNPPPB-UHFFFAOYSA-N 0 0 459.363 4.542 20 0 JJADRN CCON(C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)[C@H](C)c1cccc(Br)c1 ZINC001454539855 1066297862 /nfs/dbraw/zinc/29/78/62/1066297862.db2.gz KFPQDNDIQIUBGD-UONOGXRCSA-N 0 0 453.764 4.762 20 0 JJADRN CCON(C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)[C@@H](C)c1cccc(Br)c1 ZINC001454539848 1066298049 /nfs/dbraw/zinc/29/80/49/1066298049.db2.gz KFPQDNDIQIUBGD-KBPBESRZSA-N 0 0 453.764 4.762 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)COc1ccc(Br)cc1F ZINC001361057904 1066298235 /nfs/dbraw/zinc/29/82/35/1066298235.db2.gz VUCKRVXKODTAIM-UHFFFAOYSA-N 0 0 459.153 4.867 20 0 JJADRN C[C@H]1CC[C@H](NC(=O)c2ccccc2OCCOc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001454547152 1066299122 /nfs/dbraw/zinc/29/91/22/1066299122.db2.gz HQBYYQSTERFYBG-PMACEKPBSA-N 0 0 454.567 4.662 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)CC1CCC2(CC1)OCCO2)C(F)(F)F ZINC001361059159 1066299087 /nfs/dbraw/zinc/29/90/87/1066299087.db2.gz CDBKFEWWTNUKIQ-OAQYLSRUSA-N 0 0 452.473 4.959 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCc2ccccn2)cc1 ZINC001443355776 1066299341 /nfs/dbraw/zinc/29/93/41/1066299341.db2.gz GVIRRSJSFKSWBW-SANMLTNESA-N 0 0 451.526 4.640 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001443356373 1066300033 /nfs/dbraw/zinc/30/00/33/1066300033.db2.gz FYWUGMQWHWJPTJ-QFIPXVFZSA-N 0 0 451.567 4.751 20 0 JJADRN O=C(NCCc1ccccc1OCc1ccccc1)c1sccc1NC(=O)c1ccncc1 ZINC001454551128 1066300116 /nfs/dbraw/zinc/30/01/16/1066300116.db2.gz OIRBAEFBCCHJRP-UHFFFAOYSA-N 0 0 457.555 4.947 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)n2)cc1 ZINC001454550778 1066300170 /nfs/dbraw/zinc/30/01/70/1066300170.db2.gz WKWNHWYGWRWCDM-MOPGFXCFSA-N 0 0 454.615 4.996 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 ZINC001361061119 1066301119 /nfs/dbraw/zinc/30/11/19/1066301119.db2.gz DVJOWNPUPWDJCD-HSZRJFAPSA-N 0 0 495.624 4.789 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCCCC1 ZINC001454559328 1066301150 /nfs/dbraw/zinc/30/11/50/1066301150.db2.gz NGQBJDFJHPVFSR-JOCHJYFZSA-N 0 0 451.592 4.726 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)N1CCC(CCF)CC1 ZINC001454562322 1066301188 /nfs/dbraw/zinc/30/11/88/1066301188.db2.gz JEYKOGOPVSVIRZ-UHFFFAOYSA-N 0 0 453.377 4.904 20 0 JJADRN C[C@@](O)(C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358087 1066301101 /nfs/dbraw/zinc/30/11/01/1066301101.db2.gz ORGAGDZFQSGGSS-UNMCSNQZSA-N 0 0 454.920 4.737 20 0 JJADRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001443359111 1066301206 /nfs/dbraw/zinc/30/12/06/1066301206.db2.gz HPIBEGHPBRBDJC-RUZDIDTESA-N 0 0 452.555 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c2ccccc21 ZINC001454566038 1066301812 /nfs/dbraw/zinc/30/18/12/1066301812.db2.gz UIUMUONXYADBDN-FUHWJXTLSA-N 0 0 459.949 4.713 20 0 JJADRN CC[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCN1CCOC(C)(C)C1)OC ZINC001545957434 1066302024 /nfs/dbraw/zinc/30/20/24/1066302024.db2.gz VULOMRYGUPOJAS-KRWDZBQOSA-N 0 0 492.089 4.785 20 0 JJADRN CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 ZINC001454571183 1066301980 /nfs/dbraw/zinc/30/19/80/1066301980.db2.gz PCZUJXGIKOQTSQ-CHWSQXEVSA-N 0 0 466.838 4.547 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3ccncc3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361063082 1066302134 /nfs/dbraw/zinc/30/21/34/1066302134.db2.gz DJPDSCHQFXWDRT-UHFFFAOYSA-N 0 0 469.637 4.929 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C)c3)n2CCc2nc(C)c(C)s2)cs1 ZINC001361063295 1066302363 /nfs/dbraw/zinc/30/23/63/1066302363.db2.gz HTNQEVRJHPLSKV-UHFFFAOYSA-N 0 0 452.653 4.895 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC001454572314 1066302405 /nfs/dbraw/zinc/30/24/05/1066302405.db2.gz QMTJMPFPGRWUJO-RZDIXWSQSA-N 0 0 453.421 4.926 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccsc1 ZINC001546063308 1066302490 /nfs/dbraw/zinc/30/24/90/1066302490.db2.gz NFHBXFCAURBJDS-UHFFFAOYSA-N 0 0 459.493 4.982 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 ZINC001454571636 1066302561 /nfs/dbraw/zinc/30/25/61/1066302561.db2.gz JKXZNEBGDWMXKO-XGAFWQRZSA-N 0 0 459.631 4.618 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001361063561 1066302918 /nfs/dbraw/zinc/30/29/18/1066302918.db2.gz MEHILTMQSGWUHN-UHFFFAOYSA-N 0 0 482.510 4.593 20 0 JJADRN Cn1c(CCNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)nc2c1cccc2F ZINC001443370345 1066302981 /nfs/dbraw/zinc/30/29/81/1066302981.db2.gz VQXSWHQTUOSMQS-UHFFFAOYSA-N 0 0 450.739 4.519 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C)c2)c(C)o1 ZINC001361064165 1066303231 /nfs/dbraw/zinc/30/32/31/1066303231.db2.gz XWRJFWNNGMERCU-VWLOTQADSA-N 0 0 465.623 4.696 20 0 JJADRN CNc1cc(I)ccc1C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001454576814 1066304012 /nfs/dbraw/zinc/30/40/12/1066304012.db2.gz KMKOEWRRROQKKV-UHFFFAOYSA-N 0 0 455.246 4.613 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001443385157 1066304126 /nfs/dbraw/zinc/30/41/26/1066304126.db2.gz QSQWXZFUOSDXOI-UHFFFAOYSA-N 0 0 459.732 4.539 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCC[C@@H](O)C2)no1 ZINC001361064912 1066304188 /nfs/dbraw/zinc/30/41/88/1066304188.db2.gz XFEWBIZEYHPOCT-SIKLNZKXSA-N 0 0 488.032 4.735 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)no1 ZINC001361064660 1066304264 /nfs/dbraw/zinc/30/42/64/1066304264.db2.gz NDGWNYNNMNZQQY-UHFFFAOYSA-N 0 0 470.499 4.848 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](C)C2)no1 ZINC001361064950 1066304425 /nfs/dbraw/zinc/30/44/25/1066304425.db2.gz YPAVMVKAYGRANH-NVXWUHKLSA-N 0 0 474.403 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2ccccc2Br)CC(C)(C)C1 ZINC001454586066 1066304754 /nfs/dbraw/zinc/30/47/54/1066304754.db2.gz YFSUVHDIQSRLLQ-KRWDZBQOSA-N 0 0 453.421 4.924 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)N[C@H](c3ccccc3Cl)c3ccccc3OC)C2)c1 ZINC001361065297 1066304919 /nfs/dbraw/zinc/30/49/19/1066304919.db2.gz NKHHTXVLLUVAJI-DNQXCXABSA-N 0 0 450.922 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3ccc(-c4ccccc4)[nH]c3=O)cccc2C1 ZINC001454585870 1066304872 /nfs/dbraw/zinc/30/48/72/1066304872.db2.gz NVABDVKXHCQLHO-UHFFFAOYSA-N 0 0 459.546 4.677 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C)c1 ZINC001361066050 1066305151 /nfs/dbraw/zinc/30/51/51/1066305151.db2.gz ADJGNXCWDISFGN-DHIUTWEWSA-N 0 0 450.631 4.806 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)CC[C@H]1CC1(Cl)Cl ZINC001361065910 1066305486 /nfs/dbraw/zinc/30/54/86/1066305486.db2.gz KKBLTAPJSDAKGG-VIFPVBQESA-N 0 0 450.189 4.641 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3C4CCC3(CNC(=O)OC(C)(C)C)CC4)cs2)cc1 ZINC001454589393 1066305268 /nfs/dbraw/zinc/30/52/68/1066305268.db2.gz CUSQHYGYJBCBIK-UHFFFAOYSA-N 0 0 457.596 4.871 20 0 JJADRN CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)co1 ZINC001443390329 1066305523 /nfs/dbraw/zinc/30/55/23/1066305523.db2.gz ZZGQDDZOFJXERZ-CSKARUKUSA-N 0 0 450.539 4.749 20 0 JJADRN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)C[C@H](C)O1 ZINC000030575725 1066305674 /nfs/dbraw/zinc/30/56/74/1066305674.db2.gz DRBHJXQHXJRIJC-CALCHBBNSA-N 0 0 456.612 4.523 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001454590642 1066305979 /nfs/dbraw/zinc/30/59/79/1066305979.db2.gz VGMWHPKBVNYWNG-LPHOPBHVSA-N 0 0 459.587 4.502 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)no1 ZINC001361066642 1066306334 /nfs/dbraw/zinc/30/63/34/1066306334.db2.gz NGWUUCYDVOPIID-ZPMCFJSWSA-N 0 0 471.577 4.736 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCC(COc3ccccc3)CC2)cc1 ZINC001443408507 1066307396 /nfs/dbraw/zinc/30/73/96/1066307396.db2.gz NBRBBJVATWAAMD-OAQYLSRUSA-N 0 0 456.384 4.600 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c(Cl)c1 ZINC001454596053 1066307682 /nfs/dbraw/zinc/30/76/82/1066307682.db2.gz YGIUIQZISOVAQW-UHFFFAOYSA-N 0 0 451.951 4.570 20 0 JJADRN Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(OC(F)F)c2)cs1 ZINC001361067174 1066307908 /nfs/dbraw/zinc/30/79/08/1066307908.db2.gz HZSXRQROIVEYHY-UHFFFAOYSA-N 0 0 484.532 4.581 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545958304 1066307954 /nfs/dbraw/zinc/30/79/54/1066307954.db2.gz ASMWVGBVBSESKO-UYAOXDASSA-N 0 0 457.619 4.883 20 0 JJADRN CC(C)Cc1cc(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc(=O)[nH]1 ZINC001454598897 1066307920 /nfs/dbraw/zinc/30/79/20/1066307920.db2.gz FWZWNNMGGLNFPF-UHFFFAOYSA-N 0 0 459.590 4.523 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1ccc(CCNC(=O)N(C)C)cc1 ZINC001454597964 1066308056 /nfs/dbraw/zinc/30/80/56/1066308056.db2.gz NIVTVHFBMPSWII-UHFFFAOYSA-N 0 0 458.356 4.878 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)OC ZINC001545958318 1066308219 /nfs/dbraw/zinc/30/82/19/1066308219.db2.gz AVHXZGLDDQNTDE-ZWKOTPCHSA-N 0 0 490.555 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC001454600135 1066308295 /nfs/dbraw/zinc/30/82/95/1066308295.db2.gz KPOLQFFHBCLJSR-CQSZACIVSA-N 0 0 456.490 4.856 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC001443415158 1066308473 /nfs/dbraw/zinc/30/84/73/1066308473.db2.gz WPQHLQXUGMXEKD-MRXNPFEDSA-N 0 0 457.496 4.923 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)n1 ZINC001361068325 1066308491 /nfs/dbraw/zinc/30/84/91/1066308491.db2.gz CLXOCBGGZLAZBS-UHFFFAOYSA-N 0 0 450.495 4.588 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)ccc1C(F)(F)F ZINC001361068415 1066308530 /nfs/dbraw/zinc/30/85/30/1066308530.db2.gz KWILSMKHGQHYPX-UHFFFAOYSA-N 0 0 454.239 4.571 20 0 JJADRN Cc1noc(C)c1N(C)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001361068962 1066308853 /nfs/dbraw/zinc/30/88/53/1066308853.db2.gz ONNBIGZAELRCJN-UHFFFAOYSA-N 0 0 453.955 4.948 20 0 JJADRN CCOCCC1(C(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CCCC1 ZINC001454600562 1066308790 /nfs/dbraw/zinc/30/87/90/1066308790.db2.gz RMXDUOIZONNFCY-UHFFFAOYSA-N 0 0 450.623 4.897 20 0 JJADRN COc1ccc([C@@H](NC(=O)CNc2ccccc2OC)c2ccccc2)cc1Br ZINC001443418438 1066308779 /nfs/dbraw/zinc/30/87/79/1066308779.db2.gz USPKSKQBRWWGKI-QHCPKHFHSA-N 0 0 455.352 4.784 20 0 JJADRN CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361069490 1066308903 /nfs/dbraw/zinc/30/89/03/1066308903.db2.gz UIWBDFKASOSRAC-YTFSRNRJSA-N 0 0 450.570 4.899 20 0 JJADRN CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC001454608326 1066309302 /nfs/dbraw/zinc/30/93/02/1066309302.db2.gz JEDPHAWIMPELCX-UHFFFAOYSA-N 0 0 455.580 4.577 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1(C)C ZINC001443420480 1066309486 /nfs/dbraw/zinc/30/94/86/1066309486.db2.gz ZPZYHDLRIATXGE-UQBPGWFLSA-N 0 0 455.555 4.911 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)cs1 ZINC001361070492 1066310034 /nfs/dbraw/zinc/31/00/34/1066310034.db2.gz NQVNAQQNOKSYDT-INIZCTEOSA-N 0 0 476.046 4.841 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)CC1 ZINC001492597862 1066310084 /nfs/dbraw/zinc/31/00/84/1066310084.db2.gz HDTIWHXMZYAUOG-ICSRJNTNSA-N 0 0 467.639 4.672 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2c(C)noc2C)no1 ZINC001361070865 1066310540 /nfs/dbraw/zinc/31/05/40/1066310540.db2.gz WXBADPJAZAXFCT-INIZCTEOSA-N 0 0 456.934 4.657 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC1CC1)NC(=O)OC(C)(C)C ZINC001545958466 1066310442 /nfs/dbraw/zinc/31/04/42/1066310442.db2.gz DQTKRIHBADLNQT-HXUWFJFHSA-N 0 0 479.629 4.875 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(CO)CC2)cs1 ZINC001361070987 1066311138 /nfs/dbraw/zinc/31/11/38/1066311138.db2.gz AKKUNOIDJXPEDF-UHFFFAOYSA-N 0 0 481.847 4.988 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001545958560 1066311166 /nfs/dbraw/zinc/31/11/66/1066311166.db2.gz GLEAOHHYAYMJJI-KKWNJKKUSA-N 0 0 493.450 4.860 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001454626837 1066311449 /nfs/dbraw/zinc/31/14/49/1066311449.db2.gz SVHXEHLNJZXOKD-SFHVURJKSA-N 0 0 455.295 4.811 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cccc(OC(C)C)c2)no1 ZINC001361071225 1066311571 /nfs/dbraw/zinc/31/15/71/1066311571.db2.gz GLOMZSHTDADNRV-UHFFFAOYSA-N 0 0 485.386 4.804 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC001545958612 1066312060 /nfs/dbraw/zinc/31/20/60/1066312060.db2.gz HUMGBBRZNSMIHH-QGZVFWFLSA-N 0 0 477.034 4.995 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)cc1Cl ZINC001443447107 1066312465 /nfs/dbraw/zinc/31/24/65/1066312465.db2.gz FCZCCQYRTCGHOY-UHFFFAOYSA-N 0 0 457.825 4.892 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)o1 ZINC001361072018 1066312362 /nfs/dbraw/zinc/31/23/62/1066312362.db2.gz TXWUAUZLIIIAHD-VWLOTQADSA-N 0 0 456.546 4.774 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC[C@H]2CCOC2)C1 ZINC001546063982 1066312861 /nfs/dbraw/zinc/31/28/61/1066312861.db2.gz HDBUSWVJTDLOCL-WZONZLPQSA-N 0 0 477.447 4.777 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC[C@H]2CCOC2)C1 ZINC001546063980 1066313302 /nfs/dbraw/zinc/31/33/02/1066313302.db2.gz HDBUSWVJTDLOCL-JPYJTQIMSA-N 0 0 477.447 4.777 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001454634200 1066313374 /nfs/dbraw/zinc/31/33/74/1066313374.db2.gz RRYAUCXZQINNPJ-UHFFFAOYSA-N 0 0 452.480 4.947 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)cc2)no1 ZINC001361072450 1066313450 /nfs/dbraw/zinc/31/34/50/1066313450.db2.gz DGXJDFBDDXUEJL-UHFFFAOYSA-N 0 0 455.927 4.559 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@H]2C(C)C)C1 ZINC001546064024 1066313522 /nfs/dbraw/zinc/31/35/22/1066313522.db2.gz HXYDYNKZURZECZ-FYINFDKHSA-N 0 0 450.425 4.723 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(=O)(=O)CC)C1 ZINC001546064042 1066313540 /nfs/dbraw/zinc/31/35/40/1066313540.db2.gz IDOWDMXIVNPUSD-OAQYLSRUSA-N 0 0 467.060 4.874 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001546064025 1066313884 /nfs/dbraw/zinc/31/38/84/1066313884.db2.gz HXYDYNKZURZECZ-RRMPHLOHSA-N 0 0 450.425 4.723 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)c3cnc(CCC(F)(F)F)s3)c2)cn1 ZINC001361073195 1066313987 /nfs/dbraw/zinc/31/39/87/1066313987.db2.gz BIMYJEVIYBFIPJ-UHFFFAOYSA-N 0 0 450.442 4.546 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)C(C)(C)C ZINC001443456196 1066314175 /nfs/dbraw/zinc/31/41/75/1066314175.db2.gz CLABZWRSZHSYGY-QFIPXVFZSA-N 0 0 450.583 4.971 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCc2nnc(C)s2)C1 ZINC001546064152 1066314660 /nfs/dbraw/zinc/31/46/60/1066314660.db2.gz KEWPNXKOLSXRHT-OAQYLSRUSA-N 0 0 491.459 4.745 20 0 JJADRN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443461888 1066314862 /nfs/dbraw/zinc/31/48/62/1066314862.db2.gz KGILDNHCOVCRKP-AREMUKBSSA-N 0 0 452.514 4.536 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2scnc2C)no1 ZINC001361073900 1066315165 /nfs/dbraw/zinc/31/51/65/1066315165.db2.gz SBVZZVDGULOCEW-UHFFFAOYSA-N 0 0 477.363 4.593 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001545959457 1066315322 /nfs/dbraw/zinc/31/53/22/1066315322.db2.gz WHGOPIUGCQOTBB-CEWLAPEOSA-N 0 0 490.048 4.907 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@H](C)[C@H]2C)no1 ZINC001361074107 1066315243 /nfs/dbraw/zinc/31/52/43/1066315243.db2.gz XSXMTESJFSSFEB-CHWSQXEVSA-N 0 0 466.380 4.522 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCCS2)C1 ZINC001546064169 1066315446 /nfs/dbraw/zinc/31/54/46/1066315446.db2.gz KMTDOVJCOXHBOF-MHECFPHRSA-N 0 0 460.644 4.883 20 0 JJADRN Cc1cc(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(Br)cc2)cs1 ZINC001361074800 1066315503 /nfs/dbraw/zinc/31/55/03/1066315503.db2.gz ORRHGAABXFTEIB-UHFFFAOYSA-N 0 0 455.385 4.552 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)ccc1F ZINC001361074665 1066315680 /nfs/dbraw/zinc/31/56/80/1066315680.db2.gz KOVVUUUHQNFSHN-UHFFFAOYSA-N 0 0 450.465 4.881 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001545958953 1066315737 /nfs/dbraw/zinc/31/57/37/1066315737.db2.gz NLAKSCVORDFILK-ONSGGECDSA-N 0 0 455.603 4.778 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001454655637 1066315789 /nfs/dbraw/zinc/31/57/89/1066315789.db2.gz JVSKRPOOBNENHC-VQIMIIECSA-N 0 0 454.489 4.689 20 0 JJADRN CCc1cnc(CCNC(=O)CCCCCc2ccc(I)cc2)s1 ZINC001361075537 1066316010 /nfs/dbraw/zinc/31/60/10/1066316010.db2.gz IXNGSTVTMCCMCK-UHFFFAOYSA-N 0 0 456.393 4.772 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C ZINC001361075786 1066316047 /nfs/dbraw/zinc/31/60/47/1066316047.db2.gz PAKOFJFUUSOMMV-UHFFFAOYSA-N 0 0 458.606 4.687 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001492597917 1066316087 /nfs/dbraw/zinc/31/60/87/1066316087.db2.gz DTBYFOUZVORWRN-CPJSRVTESA-N 0 0 454.640 4.695 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)C1 ZINC001454657218 1066316473 /nfs/dbraw/zinc/31/64/73/1066316473.db2.gz TUCKQAGSDDJESF-QGZVFWFLSA-N 0 0 452.636 4.676 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC001361077172 1066316539 /nfs/dbraw/zinc/31/65/39/1066316539.db2.gz KFVXBZHBUFKQLI-ZDUSSCGKSA-N 0 0 454.440 4.521 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC)C1)Oc1cccc(F)c1 ZINC001545959084 1066316649 /nfs/dbraw/zinc/31/66/49/1066316649.db2.gz PLXDGSAYAKXXGP-PKOBYXMFSA-N 0 0 492.393 4.648 20 0 JJADRN O=C(c1ccc2c(c1)CCOC2)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443483453 1066316807 /nfs/dbraw/zinc/31/68/07/1066316807.db2.gz YEFUTVKEBFNFIN-UHFFFAOYSA-N 0 0 455.327 4.899 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Br)c(OC(C)C)c2)c1 ZINC001454659145 1066317365 /nfs/dbraw/zinc/31/73/65/1066317365.db2.gz QCCXVPIZXFTLNK-UHFFFAOYSA-N 0 0 455.374 4.640 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)ccc1F ZINC001361078191 1066317433 /nfs/dbraw/zinc/31/74/33/1066317433.db2.gz NUWLTYHJWIZGBQ-IBGZPJMESA-N 0 0 455.553 4.944 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)ccc1F ZINC001361077927 1066317563 /nfs/dbraw/zinc/31/75/63/1066317563.db2.gz FHHXUJPJXNLHIE-UHFFFAOYSA-N 0 0 455.622 4.591 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CCc1ccccc1N1CCOCC1 ZINC001454663597 1066317721 /nfs/dbraw/zinc/31/77/21/1066317721.db2.gz YHKIVFOAPVZMGN-WIYYLYMNSA-N 0 0 457.412 4.623 20 0 JJADRN Cc1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)CC2)cs1 ZINC001361078442 1066318101 /nfs/dbraw/zinc/31/81/01/1066318101.db2.gz UDGZVWAYJGTFOQ-PXNSSMCTSA-N 0 0 475.659 4.631 20 0 JJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cnn(-c4cc(C)ccc4C)c3C)n2)cc1 ZINC001443493259 1066318085 /nfs/dbraw/zinc/31/80/85/1066318085.db2.gz RPKDMQNDCTWHSX-UHFFFAOYSA-N 0 0 459.575 4.809 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(F)(F)F)CC1)OC ZINC001545959229 1066318151 /nfs/dbraw/zinc/31/81/51/1066318151.db2.gz SAJQVOBXHFRIAI-GOSISDBHSA-N 0 0 462.520 4.929 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F)N1CC(c2ccccc2)C1 ZINC001454671446 1066318218 /nfs/dbraw/zinc/31/82/18/1066318218.db2.gz XHJVJAVPACXHQB-UHFFFAOYSA-N 0 0 456.802 4.814 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001546064272 1066318295 /nfs/dbraw/zinc/31/82/95/1066318295.db2.gz MHNKIXSMCIXODH-SXOMAYOGSA-N 0 0 498.672 4.523 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@H]2CC[C@@H](SC)C2)c(OC)c1 ZINC001361079121 1066318646 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20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C)C2 ZINC001454689987 1066319773 /nfs/dbraw/zinc/31/97/73/1066319773.db2.gz FKUSBSGRZLRQEK-JOCHJYFZSA-N 0 0 457.412 4.795 20 0 JJADRN CN(CC(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1)c1ccc(C(F)(F)F)cc1C=O ZINC001454690091 1066320045 /nfs/dbraw/zinc/32/00/45/1066320045.db2.gz OHKVOPLSFJYEBH-UHFFFAOYSA-N 0 0 453.848 4.800 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001546064490 1066320297 /nfs/dbraw/zinc/32/02/97/1066320297.db2.gz QIXQRGUHDDDTGR-SANMLTNESA-N 0 0 479.629 4.876 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001546064537 1066320421 /nfs/dbraw/zinc/32/04/21/1066320421.db2.gz REOFMONEBGYQFY-LEWJYISDSA-N 0 0 487.592 4.663 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361081446 1066320644 /nfs/dbraw/zinc/32/06/44/1066320644.db2.gz OPNUOTSSEDADDI-IBGZPJMESA-N 0 0 473.668 4.842 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)ccc1F ZINC001361081932 1066321267 /nfs/dbraw/zinc/32/12/67/1066321267.db2.gz XDYLBKJHTXGKNO-SFHVURJKSA-N 0 0 455.603 4.638 20 0 JJADRN Cc1ccc(-c2ccccc2NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC001454699445 1066321893 /nfs/dbraw/zinc/32/18/93/1066321893.db2.gz IVPHLFSCCNTEAV-UHFFFAOYSA-N 0 0 454.495 4.659 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](F)C1)Oc1cccc(F)c1 ZINC001545959409 1066322255 /nfs/dbraw/zinc/32/22/55/1066322255.db2.gz VKZXVDRJBDODOZ-QBIMZIAESA-N 0 0 480.357 4.827 20 0 JJADRN Cc1cc(Cn2c(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)ccc1F ZINC001361084114 1066322474 /nfs/dbraw/zinc/32/24/74/1066322474.db2.gz NXBSFPHWKIITNU-UHFFFAOYSA-N 0 0 459.610 4.907 20 0 JJADRN Cc1cc(Cn2c(N(CCO)Cc3cc(Br)ccc3F)nnc2C(C)(C)C)cs1 ZINC001361084100 1066322756 /nfs/dbraw/zinc/32/27/56/1066322756.db2.gz NASQBXZJEMZPHW-UHFFFAOYSA-N 0 0 481.435 4.894 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001454705571 1066322590 /nfs/dbraw/zinc/32/25/90/1066322590.db2.gz SBAVMZLCJJLXTN-UHFFFAOYSA-N 0 0 453.543 4.692 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCn2ccnc2C)C1 ZINC001546064638 1066322780 /nfs/dbraw/zinc/32/27/80/1066322780.db2.gz SYHAWPOZFTWRBK-QFIPXVFZSA-N 0 0 474.451 4.658 20 0 JJADRN C[C@H](CNC(=O)CSc1ccc2c(c1)OCCO2)Sc1ccc(Br)cc1 ZINC001443528021 1066322691 /nfs/dbraw/zinc/32/26/91/1066322691.db2.gz DGGXFEVSKDRVSV-CYBMUJFWSA-N 0 0 454.411 4.609 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001454706996 1066323317 /nfs/dbraw/zinc/32/33/17/1066323317.db2.gz IRNVNSIWDMRQFN-IXDOHACOSA-N 0 0 451.514 4.966 20 0 JJADRN C[C@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)Sc1ccc(Br)cc1 ZINC001443530666 1066323095 /nfs/dbraw/zinc/32/30/95/1066323095.db2.gz IRNVCEIHWVPUHZ-RGQASFKMSA-N 0 0 469.445 4.595 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC001361084933 1066323528 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NTARGJPXZNBORG-FOIQADDNSA-N 0 0 451.405 4.850 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c(OC(F)F)c1 ZINC001443531444 1066324065 /nfs/dbraw/zinc/32/40/65/1066324065.db2.gz LQEHJFULKLEOSP-OAHLLOKOSA-N 0 0 458.502 4.685 20 0 JJADRN COc1cc(C(=O)NC[C@H](OC)C(C)(C)C)ccc1OCc1ccc(Br)cc1 ZINC001361085748 1066324052 /nfs/dbraw/zinc/32/40/52/1066324052.db2.gz FZLVORQKYOREKR-FQEVSTJZSA-N 0 0 450.373 4.828 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3nccc4occc43)cc2)s1 ZINC001361085328 1066324323 /nfs/dbraw/zinc/32/43/23/1066324323.db2.gz AZCVWMIFPDJBKJ-UHFFFAOYSA-N 0 0 456.321 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)Cc2csc(-c3ccoc3)n2)c2ccccc21 ZINC001454711324 1066324205 /nfs/dbraw/zinc/32/42/05/1066324205.db2.gz JGWGAGMRDTUBGV-INIZCTEOSA-N 0 0 453.564 4.991 20 0 JJADRN COc1ccc(COCCC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001454711519 1066324342 /nfs/dbraw/zinc/32/43/42/1066324342.db2.gz KUXVTYHEWFRDKD-FQEVSTJZSA-N 0 0 454.567 4.647 20 0 JJADRN C[C@@H](CNC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)Sc1ccc(Br)cc1 ZINC001443531727 1066324452 /nfs/dbraw/zinc/32/44/52/1066324452.db2.gz OGQNGQYJTSGOHA-FWQNXSRISA-N 0 0 469.445 4.739 20 0 JJADRN Cc1ccc(OC(=O)C2(c3ccccc3Br)CC2)c(I)c1 ZINC001361086147 1066324827 /nfs/dbraw/zinc/32/48/27/1066324827.db2.gz KRENOOXLDUOVRK-UHFFFAOYSA-N 0 0 457.105 4.999 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N(C)CCCc3cc(-c4ccccc4)n(C)n3)CCC2=O)cc1C ZINC001443533074 1066324808 /nfs/dbraw/zinc/32/48/08/1066324808.db2.gz SCPCGCVNZSHYEP-QHCPKHFHSA-N 0 0 458.606 4.538 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)NCCCC(=O)N3CCc4ccccc43)cc2)c(OC)c1 ZINC001443533028 1066324855 /nfs/dbraw/zinc/32/48/55/1066324855.db2.gz KDNPQIPGSZHKAG-UHFFFAOYSA-N 0 0 459.546 4.547 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Sc1ccc(Br)cc1 ZINC001443532786 1066324927 /nfs/dbraw/zinc/32/49/27/1066324927.db2.gz UIBQPTVTMIVHDT-KXBFYZLASA-N 0 0 450.398 4.918 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3coc(C(F)F)c3)cc2)s1 ZINC001361086582 1066325044 /nfs/dbraw/zinc/32/50/44/1066325044.db2.gz POOUJAXEKMYMCW-UHFFFAOYSA-N 0 0 455.280 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC001454715548 1066325311 /nfs/dbraw/zinc/32/53/11/1066325311.db2.gz ZRNFGGWLJNSWAP-YADHBBJMSA-N 0 0 456.970 4.893 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001454715170 1066325538 /nfs/dbraw/zinc/32/55/38/1066325538.db2.gz WPWJGBNRIQHDJK-ZRNYENFQSA-N 0 0 452.954 4.603 20 0 JJADRN CCCN(Cc1ccc(OC)cc1)C(=O)c1cc(Br)cc(Br)c1N ZINC001454715924 1066325785 /nfs/dbraw/zinc/32/57/85/1066325785.db2.gz IQBSBQZDADSXRS-UHFFFAOYSA-N 0 0 456.178 4.855 20 0 JJADRN CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)n2)cc1 ZINC001443536415 1066325887 /nfs/dbraw/zinc/32/58/87/1066325887.db2.gz FXJRIWFPNLGGCP-FQEVSTJZSA-N 0 0 458.628 4.642 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2CC(F)(F)C2)cnn1C ZINC001361087327 1066326383 /nfs/dbraw/zinc/32/63/83/1066326383.db2.gz GZYHJIWGKGVBET-UHFFFAOYSA-N 0 0 493.002 4.975 20 0 JJADRN Cc1nn(CC(F)(F)F)cc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001443537961 1066326475 /nfs/dbraw/zinc/32/64/75/1066326475.db2.gz BAEKNESLVIGLOO-UHFFFAOYSA-N 0 0 457.456 4.596 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1CCNC(=O)C(C)(C)C ZINC001361087454 1066326944 /nfs/dbraw/zinc/32/69/44/1066326944.db2.gz LHLQIWZOETWFTJ-UHFFFAOYSA-N 0 0 478.081 4.896 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ncc(Cl)n2C)n1[C@H]1C[C@H]1C ZINC001361087431 1066326963 /nfs/dbraw/zinc/32/69/63/1066326963.db2.gz KKZCFOXDMVZVLX-PBHICJAKSA-N 0 0 463.413 4.856 20 0 JJADRN O=C(N[C@H](CO)c1cccc(C(F)(F)F)c1)c1cc(Br)ccc1OC(F)F ZINC001454730016 1066327279 /nfs/dbraw/zinc/32/72/79/1066327279.db2.gz LKLVJYIYZNNQIV-CYBMUJFWSA-N 0 0 454.189 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001454730769 1066327336 /nfs/dbraw/zinc/32/73/36/1066327336.db2.gz LFHKKCMBXLGFIN-CQSZACIVSA-N 0 0 455.386 4.797 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1cc(Br)ccc1OC(F)F ZINC001454730020 1066327528 /nfs/dbraw/zinc/32/75/28/1066327528.db2.gz LKLVJYIYZNNQIV-ZDUSSCGKSA-N 0 0 454.189 4.533 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCc1ccncc1 ZINC001361087676 1066327437 /nfs/dbraw/zinc/32/74/37/1066327437.db2.gz AAFBJGPZLMJEOJ-HXUWFJFHSA-N 0 0 484.044 4.893 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1-n1ccc(C2CC2)n1 ZINC001454733103 1066327894 /nfs/dbraw/zinc/32/78/94/1066327894.db2.gz NWFAHOWOICGCIB-LJQANCHMSA-N 0 0 452.599 4.905 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[C@H]32)n1CCN(C)CC(F)(F)F ZINC001361087805 1066327900 /nfs/dbraw/zinc/32/79/00/1066327900.db2.gz CLVOJMPTYLWMKI-IEBWSBKVSA-N 0 0 485.982 4.734 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[C@@H]32)n1CCN(C)CC(F)(F)F ZINC001361087804 1066328125 /nfs/dbraw/zinc/32/81/25/1066328125.db2.gz CLVOJMPTYLWMKI-HKUYNNGSSA-N 0 0 485.982 4.734 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CSc1nccc2ccccc21 ZINC001454732535 1066328045 /nfs/dbraw/zinc/32/80/45/1066328045.db2.gz AASZOGPGIKHTFN-KRWDZBQOSA-N 0 0 451.375 4.532 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC001454733457 1066328338 /nfs/dbraw/zinc/32/83/38/1066328338.db2.gz FUZBQMFJISAPOA-HNNXBMFYSA-N 0 0 453.402 4.767 20 0 JJADRN Cc1c(Br)cccc1CC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C ZINC001454733353 1066328375 /nfs/dbraw/zinc/32/83/75/1066328375.db2.gz PMGCGUZKZNHWBL-KRWDZBQOSA-N 0 0 453.421 4.842 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1occc1COc1ccccc1 ZINC001454734157 1066328463 /nfs/dbraw/zinc/32/84/63/1066328463.db2.gz UMYLMWAWFHKWOW-GOSISDBHSA-N 0 0 450.318 4.677 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)c12 ZINC001454735102 1066328779 /nfs/dbraw/zinc/32/87/79/1066328779.db2.gz RNUPDAROSQENJD-KRWDZBQOSA-N 0 0 458.603 4.893 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC001454735491 1066328959 /nfs/dbraw/zinc/32/89/59/1066328959.db2.gz BSHKQTHXDMNQDO-CTNGQTDRSA-N 0 0 452.542 4.776 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(F)(F)F)n1C[C@@](C)(O)c1ccco1 ZINC001361087991 1066329139 /nfs/dbraw/zinc/32/91/39/1066329139.db2.gz QLUUKXSLGCEXNV-OAQYLSRUSA-N 0 0 486.922 4.751 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001454735571 1066329087 /nfs/dbraw/zinc/32/90/87/1066329087.db2.gz DBQLFLBNLSDOGO-NJYVYQBISA-N 0 0 452.542 4.775 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001454737607 1066329512 /nfs/dbraw/zinc/32/95/12/1066329512.db2.gz VQFJSPJUFQACET-CQSZACIVSA-N 0 0 455.386 4.797 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCCCC2)n1C[C@@]1(C)COCCO1 ZINC001361088111 1066329339 /nfs/dbraw/zinc/32/93/39/1066329339.db2.gz RMPQKYQCAFITEW-VWLOTQADSA-N 0 0 477.049 4.826 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)CC2)n1CCC(=O)NC(C)(C)C ZINC001361088257 1066329356 /nfs/dbraw/zinc/32/93/56/1066329356.db2.gz GRSQNCOWSRYDPU-UHFFFAOYSA-N 0 0 476.065 4.793 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001454744219 1066329802 /nfs/dbraw/zinc/32/98/02/1066329802.db2.gz RVUMEWVRTHGFPV-ZDUSSCGKSA-N 0 0 454.684 4.760 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088292 1066329887 /nfs/dbraw/zinc/32/98/87/1066329887.db2.gz HOUVJHCLJRVJPV-ICSRJNTNSA-N 0 0 483.060 4.996 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(N(C)C)c2)C1 ZINC001546064944 1066330089 /nfs/dbraw/zinc/33/00/89/1066330089.db2.gz ZOFZWRRYBVZUCY-QHCPKHFHSA-N 0 0 471.447 4.787 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)C(F)(F)F)o1 ZINC001443571455 1066329945 /nfs/dbraw/zinc/32/99/45/1066329945.db2.gz XKDXWWDWZIFBOS-OAHLLOKOSA-N 0 0 454.348 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC001443575256 1066330156 /nfs/dbraw/zinc/33/01/56/1066330156.db2.gz PYYMDHBUPOSHRN-WMZOPIPTSA-N 0 0 457.521 4.589 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC[C@@H](C)C2)n1C[C@]1(O)CCSC1 ZINC001361088350 1066330536 /nfs/dbraw/zinc/33/05/36/1066330536.db2.gz IROGBIWRLYNIHG-HOYKHHGWSA-N 0 0 479.090 4.746 20 0 JJADRN CNC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454745382 1066330638 /nfs/dbraw/zinc/33/06/38/1066330638.db2.gz QQRAOQBBNHZUHP-GOSISDBHSA-N 0 0 454.621 4.512 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2C2CCC2)n1CC(=O)NC(C)C ZINC001361088305 1066330689 /nfs/dbraw/zinc/33/06/89/1066330689.db2.gz IAHQKXCKQHTXBD-NRFANRHFSA-N 0 0 474.049 4.545 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H]1CCCO1 ZINC001361088472 1066331002 /nfs/dbraw/zinc/33/10/02/1066331002.db2.gz WOBMTTUBVHYMPQ-FQEVSTJZSA-N 0 0 477.049 4.824 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1Cc1ncnn1C(C)(C)C ZINC001361088545 1066331627 /nfs/dbraw/zinc/33/16/27/1066331627.db2.gz JBFOSLLAMOGDDN-GOSISDBHSA-N 0 0 486.064 4.883 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc([C@@H](O)C(F)(F)F)cc3)CCCC2)c1 ZINC001454766781 1066331841 /nfs/dbraw/zinc/33/18/41/1066331841.db2.gz JZVONIFTUUYOQP-LJQANCHMSA-N 0 0 455.498 4.624 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H]1CCSC1 ZINC001454769726 1066332217 /nfs/dbraw/zinc/33/22/17/1066332217.db2.gz CBAKPXCBAXKNQH-HFJWLAOPSA-N 0 0 452.620 4.953 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c(C)c2c1 ZINC001443585423 1066332254 /nfs/dbraw/zinc/33/22/54/1066332254.db2.gz ZWQIEUJLWVNLFQ-CVEARBPZSA-N 0 0 450.601 4.964 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)NC(=O)OC(C)(C)C)cc1 ZINC001443584847 1066332709 /nfs/dbraw/zinc/33/27/09/1066332709.db2.gz MMARMFKVLSXCDF-ZLNRFVROSA-N 0 0 453.583 4.665 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@]1(C)CN(C)C1=O ZINC001361088671 1066332713 /nfs/dbraw/zinc/33/27/13/1066332713.db2.gz XXEUZVZHNQNISR-BVZFJXPGSA-N 0 0 486.016 4.520 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1[nH]c2ccccc2c1CC(=O)OC ZINC001443586924 1066332970 /nfs/dbraw/zinc/33/29/70/1066332970.db2.gz AAXZEHWHOFJBBG-UHFFFAOYSA-N 0 0 456.498 4.979 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)NC(=O)OC(C)(C)C)cc1 ZINC001443589410 1066333381 /nfs/dbraw/zinc/33/33/81/1066333381.db2.gz WNKZLSUANFXMKB-OAQYLSRUSA-N 0 0 453.583 4.634 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N[C@@H](CCc3ccccc3)c3ccccn3)c2)cc1 ZINC001454776353 1066333472 /nfs/dbraw/zinc/33/34/72/1066333472.db2.gz XFKZPZLAOOJDKV-VWLOTQADSA-N 0 0 459.571 4.532 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C(F)(F)F)CC2)n1CC(C)(C)O ZINC001361088996 1066333607 /nfs/dbraw/zinc/33/36/07/1066333607.db2.gz OOMXKRSMGZNAQP-UHFFFAOYSA-N 0 0 474.955 4.801 20 0 JJADRN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1NCc1ccccc1Cl ZINC001546065347 1066334100 /nfs/dbraw/zinc/33/41/00/1066334100.db2.gz MDIWPIYHHXYSDY-LJQANCHMSA-N 0 0 456.995 4.934 20 0 JJADRN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1NCc1ccccc1Cl ZINC001546065346 1066334161 /nfs/dbraw/zinc/33/41/61/1066334161.db2.gz MDIWPIYHHXYSDY-IBGZPJMESA-N 0 0 456.995 4.934 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NCc2c(Cl)cccc2OC(F)F)c1 ZINC001454796893 1066334245 /nfs/dbraw/zinc/33/42/45/1066334245.db2.gz ZWERFEPMYRKVCL-UHFFFAOYSA-N 0 0 453.898 4.544 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCOC(C)(C)C ZINC001361089068 1066334303 /nfs/dbraw/zinc/33/43/03/1066334303.db2.gz PIVCKZCEWLPHMC-NHCUHLMSSA-N 0 0 491.076 4.929 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)OCC(F)(F)F ZINC001443589645 1066334304 /nfs/dbraw/zinc/33/43/04/1066334304.db2.gz VPTCAILRAQSUHU-VKJFTORMSA-N 0 0 458.477 4.531 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc(OCc2ccccc2)ccc1O ZINC001443594747 1066334435 /nfs/dbraw/zinc/33/44/35/1066334435.db2.gz ZJZPZIQSIHRRMS-UHFFFAOYSA-N 0 0 450.388 4.898 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ncc(Cl)n1C)OC ZINC001545960408 1066334656 /nfs/dbraw/zinc/33/46/56/1066334656.db2.gz CIENKVHWLUPJHL-MRXNPFEDSA-N 0 0 463.051 4.724 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001361089189 1066334683 /nfs/dbraw/zinc/33/46/83/1066334683.db2.gz QFSKBNPXYXCBIP-RXFWQSSRSA-N 0 0 488.076 4.602 20 0 JJADRN COc1cc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl ZINC001454813062 1066334814 /nfs/dbraw/zinc/33/48/14/1066334814.db2.gz INPNUTQEPSGYGF-NRFANRHFSA-N 0 0 459.970 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001454824014 1066335057 /nfs/dbraw/zinc/33/50/57/1066335057.db2.gz VPMYFLLDDUBJQK-FPVCRCAZSA-N 0 0 450.579 4.789 20 0 JJADRN CCN(C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443599645 1066335132 /nfs/dbraw/zinc/33/51/32/1066335132.db2.gz LYVZUOITOXZSIY-GHTZIAJQSA-N 0 0 457.521 4.555 20 0 JJADRN Nc1c(I)cccc1C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC001454818890 1066335243 /nfs/dbraw/zinc/33/52/43/1066335243.db2.gz SYHGTARGOHPMBC-UHFFFAOYSA-N 0 0 454.739 4.622 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC(Cc2ccccc2Cl)CC1)C[C@H]1CCCO1 ZINC001454823359 1066335737 /nfs/dbraw/zinc/33/57/37/1066335737.db2.gz UHOMDPQWAUEHGX-HXUWFJFHSA-N 0 0 451.007 4.537 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[C@@H]1COCCO1 ZINC001361089489 1066335662 /nfs/dbraw/zinc/33/56/62/1066335662.db2.gz VSDLWUCMHPMZQM-WOIUINJBSA-N 0 0 477.049 4.539 20 0 JJADRN C[C@@H](CCNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC001454830032 1066335859 /nfs/dbraw/zinc/33/58/59/1066335859.db2.gz UEUUZKBEKTYVFY-NSHDSACASA-N 0 0 458.399 4.523 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1[nH]ncc1C(F)(F)F ZINC001443603707 1066336300 /nfs/dbraw/zinc/33/63/00/1066336300.db2.gz KRFCLGJSFAFUMV-UHFFFAOYSA-N 0 0 456.774 4.590 20 0 JJADRN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001546065698 1066336534 /nfs/dbraw/zinc/33/65/34/1066336534.db2.gz WSWUELBAQIZFKO-CQSZACIVSA-N 0 0 451.375 4.971 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC001443605309 1066336717 /nfs/dbraw/zinc/33/67/17/1066336717.db2.gz QEDOGTAWRKUXNW-AOMKIAJQSA-N 0 0 453.583 4.633 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@@H](O)CCc1ccccc1 ZINC001443605385 1066337056 /nfs/dbraw/zinc/33/70/56/1066337056.db2.gz QKCSSNDOQIODAH-IBGZPJMESA-N 0 0 456.892 4.528 20 0 JJADRN CC(C)c1nc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)nn1-c1ccccc1F ZINC001443616887 1066337744 /nfs/dbraw/zinc/33/77/44/1066337744.db2.gz LJKQXVWDGQUBPR-UHFFFAOYSA-N 0 0 453.518 4.807 20 0 JJADRN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC001443614670 1066337864 /nfs/dbraw/zinc/33/78/64/1066337864.db2.gz DIPHXJIBXBKFSU-FPOVZHCZSA-N 0 0 459.359 4.565 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C)C2)n1C[C@H](C)c1nccs1 ZINC001361090075 1066338002 /nfs/dbraw/zinc/33/80/02/1066338002.db2.gz AEDIYYHHIRBZNZ-ROUUACIJSA-N 0 0 476.046 4.737 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C)C2)n1C[C@H](C)c1nccs1 ZINC001361090076 1066338018 /nfs/dbraw/zinc/33/80/18/1066338018.db2.gz AEDIYYHHIRBZNZ-ZWKOTPCHSA-N 0 0 476.046 4.737 20 0 JJADRN COc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c(I)c1 ZINC001361089744 1066338119 /nfs/dbraw/zinc/33/81/19/1066338119.db2.gz BHSAVXQZIINAPL-AWEZNQCLSA-N 0 0 453.345 4.554 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)N2CCCCC2)C1 ZINC001546065998 1066338066 /nfs/dbraw/zinc/33/80/66/1066338066.db2.gz DYXAQDNDXGWACO-DEOSSOPVSA-N 0 0 460.022 4.636 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc2[nH]c(=O)n(CC)c2c1)C1CC1 ZINC001443620143 1066338438 /nfs/dbraw/zinc/33/84/38/1066338438.db2.gz SIWPAJLJYPKSLA-UHFFFAOYSA-N 0 0 458.356 4.728 20 0 JJADRN Cc1c(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSC(C)(C)C2)cnn1C ZINC001361090171 1066338380 /nfs/dbraw/zinc/33/83/80/1066338380.db2.gz BVKCFBREZIQSCE-UHFFFAOYSA-N 0 0 489.089 4.674 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)CC2 ZINC001361090142 1066338439 /nfs/dbraw/zinc/33/84/39/1066338439.db2.gz BGPIFJAZFNIHSK-UHFFFAOYSA-N 0 0 467.536 4.572 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1)OCc1ccccc1 ZINC001454883206 1066338736 /nfs/dbraw/zinc/33/87/36/1066338736.db2.gz BLONFQKNFMVKJX-UHFFFAOYSA-N 0 0 454.527 4.557 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 ZINC001361090614 1066338918 /nfs/dbraw/zinc/33/89/18/1066338918.db2.gz IKANXUHNQVJGQE-LBPRGKRZSA-N 0 0 450.511 4.505 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)OC ZINC001545960579 1066339129 /nfs/dbraw/zinc/33/91/29/1066339129.db2.gz GOQSJESEIYSGAC-DLBZAZTESA-N 0 0 495.418 4.911 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546066069 1066339285 /nfs/dbraw/zinc/33/92/85/1066339285.db2.gz GKGVIICLNGDSHV-HFJWLAOPSA-N 0 0 485.629 4.598 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC001361090853 1066339337 /nfs/dbraw/zinc/33/93/37/1066339337.db2.gz KLZZTPNAQYIJHM-QGZVFWFLSA-N 0 0 451.527 4.719 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCCCc2c[nH]c3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001443628123 1066339523 /nfs/dbraw/zinc/33/95/23/1066339523.db2.gz BIMGUUROWQDAKS-NFBKMPQASA-N 0 0 457.496 4.845 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)C1 ZINC001546066117 1066339742 /nfs/dbraw/zinc/33/97/42/1066339742.db2.gz HDHYNYFLZVOWOL-QFIPXVFZSA-N 0 0 452.430 4.601 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@](C)(O)C(C)C ZINC001361090999 1066339964 /nfs/dbraw/zinc/33/99/64/1066339964.db2.gz LLGYNQDIVRDEPS-NVQXNPDNSA-N 0 0 493.092 4.910 20 0 JJADRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)cc1 ZINC001443629718 1066340245 /nfs/dbraw/zinc/34/02/45/1066340245.db2.gz AALRTTDZJLNESO-UHFFFAOYSA-N 0 0 457.534 4.655 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546066324 1066340236 /nfs/dbraw/zinc/34/02/36/1066340236.db2.gz KXKYXKIFHBXXRW-IBVKSMDESA-N 0 0 469.630 4.980 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546066325 1066340252 /nfs/dbraw/zinc/34/02/52/1066340252.db2.gz KXKYXKIFHBXXRW-RXFWQSSRSA-N 0 0 469.630 4.980 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccnc(SC)c2)C1 ZINC001546066331 1066340428 /nfs/dbraw/zinc/34/04/28/1066340428.db2.gz LBCSXZNRVUKSMV-XMMPIXPASA-N 0 0 453.612 4.754 20 0 JJADRN CCOc1ccc(CN(C(=O)c2cncc3ncn(C)c32)c2ccc(OC)c(Cl)c2)cc1 ZINC001443630092 1066340399 /nfs/dbraw/zinc/34/03/99/1066340399.db2.gz FSRDKQKHLCPKAW-UHFFFAOYSA-N 0 0 450.926 4.876 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC001454904214 1066340782 /nfs/dbraw/zinc/34/07/82/1066340782.db2.gz CZOMPSLFSXEZDK-LLVKDONJSA-N 0 0 457.415 4.828 20 0 JJADRN Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c3cc4cccc(Cl)c4s3)C2)cn1 ZINC001454902090 1066340805 /nfs/dbraw/zinc/34/08/05/1066340805.db2.gz AETWNESUNFYVJJ-JKSUJKDBSA-N 0 0 459.999 4.876 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccoc1 ZINC001361091184 1066340835 /nfs/dbraw/zinc/34/08/35/1066340835.db2.gz OAUBEUSONVEBEM-UHFFFAOYSA-N 0 0 497.949 4.577 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1C[C@H]1CCSC1 ZINC001361091722 1066341336 /nfs/dbraw/zinc/34/13/36/1066341336.db2.gz STXWPLWJHYSYOV-QZTJIDSGSA-N 0 0 467.104 4.946 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1 ZINC001443635295 1066341605 /nfs/dbraw/zinc/34/16/05/1066341605.db2.gz UTCIYVPGYZRZSO-OAQYLSRUSA-N 0 0 450.482 4.834 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1C[C@@H]1CCSC1 ZINC001361091724 1066341687 /nfs/dbraw/zinc/34/16/87/1066341687.db2.gz STXWPLWJHYSYOV-ROUUACIJSA-N 0 0 467.104 4.946 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)CSc1nnc2ccccn21 ZINC001454919978 1066342102 /nfs/dbraw/zinc/34/21/02/1066342102.db2.gz HXCCORVLXNAZPX-FQEVSTJZSA-N 0 0 452.477 4.603 20 0 JJADRN CCOc1nc2cc(C(=O)N(CCCn3ccnc3)Cc3c(F)cccc3Cl)ccc2[nH]1 ZINC001443636634 1066342188 /nfs/dbraw/zinc/34/21/88/1066342188.db2.gz WZRQMPJUWYYJSM-UHFFFAOYSA-N 0 0 455.921 4.683 20 0 JJADRN CCOc1ccc(CN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)c2ccc(OC)c(Cl)c2)cc1 ZINC001443636946 1066342297 /nfs/dbraw/zinc/34/22/97/1066342297.db2.gz YAYXPRSGMWGXNM-UHFFFAOYSA-N 0 0 453.926 4.967 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC(C)(C)C2)n1C[C@H]1CCCO1 ZINC001361092053 1066342422 /nfs/dbraw/zinc/34/24/22/1066342422.db2.gz ZDPZYHCUPMAXKU-LJQANCHMSA-N 0 0 465.063 4.762 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N3CCC[C@H](OC4CCC4)CC3)C2)C1 ZINC001454921469 1066342718 /nfs/dbraw/zinc/34/27/18/1066342718.db2.gz CPILKBJDMTZSHU-ALMLBHMKSA-N 0 0 452.661 4.506 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@]1(C)CCCO1 ZINC001361092131 1066342880 /nfs/dbraw/zinc/34/28/80/1066342880.db2.gz ZQEIRFGPOWBWOW-WIOPSUGQSA-N 0 0 477.049 4.682 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@](C)=O)CCC2)C1 ZINC001546066618 1066343318 /nfs/dbraw/zinc/34/33/18/1066343318.db2.gz RLPWKMUGTNDRSM-JRPXNJEYSA-N 0 0 495.487 4.644 20 0 JJADRN O=C(NCC[C@@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)c2ccccc21)C(F)(F)F ZINC001454939734 1066343680 /nfs/dbraw/zinc/34/36/80/1066343680.db2.gz YKYHNVQHIZLFEI-LLVKDONJSA-N 0 0 453.873 4.762 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC2(CO)CCCCCCC2)CC1 ZINC001454939762 1066343986 /nfs/dbraw/zinc/34/39/86/1066343986.db2.gz GDJBSHJHTYYTKA-UBFVSLLYSA-N 0 0 456.671 4.768 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001443644689 1066343763 /nfs/dbraw/zinc/34/37/63/1066343763.db2.gz OOIYRURAUKCEEN-DEDYPNTBSA-N 0 0 454.573 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@H]3CCCn4cc(C(F)(F)F)nc43)ccc21 ZINC001361093623 1066344060 /nfs/dbraw/zinc/34/40/60/1066344060.db2.gz NDNJIZKHBQUBAQ-HNNXBMFYSA-N 0 0 450.461 4.716 20 0 JJADRN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001454938992 1066344125 /nfs/dbraw/zinc/34/41/25/1066344125.db2.gz WITXZOWSLQRVDQ-AVRWGWEMSA-N 0 0 459.512 4.972 20 0 JJADRN COC(C)(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC001454940208 1066344181 /nfs/dbraw/zinc/34/41/81/1066344181.db2.gz IORATUFKOUPZMV-VWLOTQADSA-N 0 0 457.574 4.594 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(F)(F)c2ccc(Br)cc2)C1 ZINC001361094136 1066344546 /nfs/dbraw/zinc/34/45/46/1066344546.db2.gz UHJBTZRQLFDTPS-OAHLLOKOSA-N 0 0 459.718 4.598 20 0 JJADRN C[C@H](Cc1cncc2ccccc21)C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454940217 1066344541 /nfs/dbraw/zinc/34/45/41/1066344541.db2.gz ZVDHJMVEIQPIGA-SJLPKXTDSA-N 0 0 455.480 4.612 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)nc1 ZINC001454946614 1066344716 /nfs/dbraw/zinc/34/47/16/1066344716.db2.gz XFELMZWZUAVVLB-UHFFFAOYSA-N 0 0 457.530 4.785 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cccnc2OC)C1 ZINC001546066816 1066345001 /nfs/dbraw/zinc/34/50/01/1066345001.db2.gz VQNAAVQWTOAYJJ-HSZRJFAPSA-N 0 0 486.414 4.795 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N(Cc3ccncc3)Cc3cccnc3)cc21 ZINC001443654020 1066344987 /nfs/dbraw/zinc/34/49/87/1066344987.db2.gz OOHKMCMBRCWSLX-UHFFFAOYSA-N 0 0 451.324 4.572 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443659068 1066345541 /nfs/dbraw/zinc/34/55/41/1066345541.db2.gz ZLNXEWSHVQNXSE-CGQZWFTASA-N 0 0 454.970 4.657 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1)OC ZINC001545960884 1066345811 /nfs/dbraw/zinc/34/58/11/1066345811.db2.gz LLDVQZYVTMKPQP-WOJBJXKFSA-N 0 0 463.420 4.528 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962675 1066345710 /nfs/dbraw/zinc/34/57/10/1066345710.db2.gz AUBVGTLEEAGOQL-MXEMCNAFSA-N 0 0 456.608 4.688 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001361095434 1066345952 /nfs/dbraw/zinc/34/59/52/1066345952.db2.gz WAXNUOXOPTXKME-NRFANRHFSA-N 0 0 485.629 4.724 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001454964380 1066346234 /nfs/dbraw/zinc/34/62/34/1066346234.db2.gz XNRYCJMMVXOBRX-LLVKDONJSA-N 0 0 458.277 4.702 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001361095809 1066346450 /nfs/dbraw/zinc/34/64/50/1066346450.db2.gz PPPXDEMYBWFLBA-PBNJOUANSA-N 0 0 471.621 4.974 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCSc3ccc(F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965300 1066346724 /nfs/dbraw/zinc/34/67/24/1066346724.db2.gz RDKKXLJOYPEHFV-FCHUYYIVSA-N 0 0 474.598 4.836 20 0 JJADRN C[C@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)Oc1cccc(Br)c1 ZINC001361096332 1066346743 /nfs/dbraw/zinc/34/67/43/1066346743.db2.gz GHFYXIWRZFMOSV-QIAWRQBBSA-N 0 0 450.329 4.594 20 0 JJADRN Cc1c2ccccc2oc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001361096347 1066346867 /nfs/dbraw/zinc/34/68/67/1066346867.db2.gz GQTMBTRJPSORQT-QFIPXVFZSA-N 0 0 455.482 4.942 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NC[C@H](Cc3cccc(C)c3)C(=O)OC)cs2)cc1 ZINC001443672198 1066347243 /nfs/dbraw/zinc/34/72/43/1066347243.db2.gz QWLOYXHJKPSPHB-FQEVSTJZSA-N 0 0 452.576 4.669 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)Cc1cccc(C)c1 ZINC001443671636 1066347276 /nfs/dbraw/zinc/34/72/76/1066347276.db2.gz PIYFUHJKNALPSO-DEOSSOPVSA-N 0 0 453.542 4.609 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3SCCc4sccc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966820 1066347123 /nfs/dbraw/zinc/34/71/23/1066347123.db2.gz YQCHKNQXIPDLGE-ZVDOUQERSA-N 0 0 474.648 4.606 20 0 JJADRN Cc1ccc(C[C@@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 ZINC001361096536 1066347091 /nfs/dbraw/zinc/34/70/91/1066347091.db2.gz KPOVZRAYDUNGNA-MZNJEOGPSA-N 0 0 457.542 4.761 20 0 JJADRN O=C(NCc1n[nH]cc1Br)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001443672007 1066347344 /nfs/dbraw/zinc/34/73/44/1066347344.db2.gz VPNMKKABXWVUQO-KRWDZBQOSA-N 0 0 455.139 4.916 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)Cc1cccc(C)c1 ZINC001443671651 1066347381 /nfs/dbraw/zinc/34/73/81/1066347381.db2.gz PIYFUHJKNALPSO-XMMPIXPASA-N 0 0 453.542 4.609 20 0 JJADRN C[C@@H](CNC(=O)CSc1ccccc1Br)Oc1cccc(Br)c1 ZINC001361097006 1066347820 /nfs/dbraw/zinc/34/78/20/1066347820.db2.gz UOHFTJALAQYPKI-LBPRGKRZSA-N 0 0 459.203 4.887 20 0 JJADRN CCN(C(=O)c1cccc(NS(=O)(=O)CC)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443672454 1066347854 /nfs/dbraw/zinc/34/78/54/1066347854.db2.gz ILYBWYVNVRZNGG-HSZRJFAPSA-N 0 0 455.555 4.542 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC001454970353 1066348229 /nfs/dbraw/zinc/34/82/29/1066348229.db2.gz MKYQZGKKGLFIBT-SFHVURJKSA-N 0 0 455.640 4.516 20 0 JJADRN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001443677676 1066348112 /nfs/dbraw/zinc/34/81/12/1066348112.db2.gz RUXKRNNLKMOOBE-SFHVURJKSA-N 0 0 450.583 4.717 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 ZINC001443680198 1066348785 /nfs/dbraw/zinc/34/87/85/1066348785.db2.gz JMTWBATYBQOEAB-UHFFFAOYSA-N 0 0 452.576 4.652 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545961055 1066348799 /nfs/dbraw/zinc/34/87/99/1066348799.db2.gz NVCNKYAYCTYSHA-QXAKKESOSA-N 0 0 489.686 4.660 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(C(=O)NC)cc1)OC ZINC001545961043 1066348809 /nfs/dbraw/zinc/34/88/09/1066348809.db2.gz NQYJNLJSMKXGBT-UTKZUKDTSA-N 0 0 481.666 4.552 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)cc1C ZINC001454974462 1066348837 /nfs/dbraw/zinc/34/88/37/1066348837.db2.gz LGCMWTNQVJPYRS-HXUWFJFHSA-N 0 0 450.579 4.997 20 0 JJADRN C[C@]1(C(F)(F)F)CN(C(=O)c2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001454976542 1066348858 /nfs/dbraw/zinc/34/88/58/1066348858.db2.gz QSTGBQDNCFWJDZ-LJQANCHMSA-N 0 0 458.274 4.822 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C)Oc1ccccc1F ZINC001545961017 1066348929 /nfs/dbraw/zinc/34/89/29/1066348929.db2.gz NFWCHDJUQYLUPB-CABCVRRESA-N 0 0 495.418 4.991 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)cs1 ZINC001454980688 1066349415 /nfs/dbraw/zinc/34/94/15/1066349415.db2.gz KLNZWWQDGMBTIA-UHFFFAOYSA-N 0 0 457.508 4.792 20 0 JJADRN CCC[C@@H](C(=O)N[C@@H](CC)C[C@H](C)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454979805 1066349493 /nfs/dbraw/zinc/34/94/93/1066349493.db2.gz FWNGUFUAZPONRT-MHPIHPPYSA-N 0 0 452.595 4.702 20 0 JJADRN Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361099665 1066349279 /nfs/dbraw/zinc/34/92/79/1066349279.db2.gz IDOUPLMHUHWNFY-DENIHFKCSA-N 0 0 462.598 4.843 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2N(C)C)c1 ZINC001361099438 1066349505 /nfs/dbraw/zinc/34/95/05/1066349505.db2.gz GPVGKMIPDXYAEG-UHFFFAOYSA-N 0 0 480.414 4.632 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(-c4ccccc4OC)cc3)CC2=O)cc1 ZINC001361100294 1066350476 /nfs/dbraw/zinc/35/04/76/1066350476.db2.gz DOKZGKUOGBRINK-AUSIDOKSSA-N 0 0 458.558 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(Br)c(Br)c1)C2 ZINC001454997617 1066350408 /nfs/dbraw/zinc/35/04/08/1066350408.db2.gz AWPZTEXKYYFSNI-XUJVJEKNSA-N 0 0 474.193 4.938 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 ZINC001361100364 1066350576 /nfs/dbraw/zinc/35/05/76/1066350576.db2.gz GVYGACOWJDZDGH-GOSISDBHSA-N 0 0 457.505 4.847 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)CCOc2cccc(Cl)c2)c2ccc(Cl)cc2)CCO1 ZINC001443694062 1066351005 /nfs/dbraw/zinc/35/10/05/1066351005.db2.gz DQXNCHOBDSSRCT-NRFANRHFSA-N 0 0 451.394 4.731 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(C)cc1 ZINC001443692861 1066351044 /nfs/dbraw/zinc/35/10/44/1066351044.db2.gz UEFZXWBSLHFPLI-OAQYLSRUSA-N 0 0 459.571 4.850 20 0 JJADRN CC(C)(CNC(=O)CCc1ccc2c(c1)OCCO2)Sc1ccc(Br)cc1 ZINC001361101859 1066351114 /nfs/dbraw/zinc/35/11/14/1066351114.db2.gz FAUNPGDIHJIBNU-UHFFFAOYSA-N 0 0 450.398 4.840 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)c1C ZINC001455003797 1066351209 /nfs/dbraw/zinc/35/12/09/1066351209.db2.gz RCBPMEFTWYOGSF-BXKMTCNYSA-N 0 0 451.615 4.987 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCOc2cccc(Cl)c2)c2ccc(Cl)cc2)CCO1 ZINC001443694067 1066351644 /nfs/dbraw/zinc/35/16/44/1066351644.db2.gz DQXNCHOBDSSRCT-OAQYLSRUSA-N 0 0 451.394 4.731 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001443694114 1066351662 /nfs/dbraw/zinc/35/16/62/1066351662.db2.gz FHJGIWIZULHEML-XMMPIXPASA-N 0 0 456.995 4.819 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001443694112 1066351702 /nfs/dbraw/zinc/35/17/02/1066351702.db2.gz FHJGIWIZULHEML-DEOSSOPVSA-N 0 0 456.995 4.819 20 0 JJADRN CC(C)N(CCCNC(=O)c1cccc(COc2cccc(C=O)c2)c1)C(=O)OC(C)(C)C ZINC001443697126 1066352108 /nfs/dbraw/zinc/35/21/08/1066352108.db2.gz MZVLOVKQRCZTAC-UHFFFAOYSA-N 0 0 454.567 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001455009134 1066352999 /nfs/dbraw/zinc/35/29/99/1066352999.db2.gz VVAZHHPQORRZFX-KBPBESRZSA-N 0 0 454.390 4.606 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361103200 1066353145 /nfs/dbraw/zinc/35/31/45/1066353145.db2.gz VOKFPTYAFVMQQE-BNIKKZEQSA-N 0 0 469.630 4.978 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(SC)cc1 ZINC001361103685 1066353252 /nfs/dbraw/zinc/35/32/52/1066353252.db2.gz GQVRONKZVSEXGU-QGZVFWFLSA-N 0 0 456.789 4.788 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(Oc4ccccc4)ccn3)cn2)cc1 ZINC001443701776 1066353433 /nfs/dbraw/zinc/35/34/33/1066353433.db2.gz PHRUWZIZCADTSQ-UHFFFAOYSA-N 0 0 459.531 4.683 20 0 JJADRN O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cc2sc(Br)cc2s1 ZINC001455012018 1066353473 /nfs/dbraw/zinc/35/34/73/1066353473.db2.gz IOIHTVREFPUXQZ-JOCQHMNTSA-N 0 0 450.379 4.977 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(NC(C)=O)c2C)CC1 ZINC001443703403 1066353802 /nfs/dbraw/zinc/35/38/02/1066353802.db2.gz VTEKYUPPCMDEPP-QFIPXVFZSA-N 0 0 458.400 4.625 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(NC(C)=O)c2C)CC1 ZINC001443703399 1066353845 /nfs/dbraw/zinc/35/38/45/1066353845.db2.gz VTEKYUPPCMDEPP-JOCHJYFZSA-N 0 0 458.400 4.625 20 0 JJADRN CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545961259 1066353960 /nfs/dbraw/zinc/35/39/60/1066353960.db2.gz RKXQNSPNMNASDW-GOSISDBHSA-N 0 0 469.586 4.610 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc2cc(Cl)cnc2n1 ZINC001455023383 1066354009 /nfs/dbraw/zinc/35/40/09/1066354009.db2.gz BNSLOJZAYWUQDJ-SANMLTNESA-N 0 0 452.761 4.572 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC001455018350 1066354079 /nfs/dbraw/zinc/35/40/79/1066354079.db2.gz WVKBZCFRHMAIOL-QGZVFWFLSA-N 0 0 458.386 4.689 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC001443704280 1066354345 /nfs/dbraw/zinc/35/43/45/1066354345.db2.gz ZSNNSUSGYIIMCJ-QGZVFWFLSA-N 0 0 455.805 4.886 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067504 1066354734 /nfs/dbraw/zinc/35/47/34/1066354734.db2.gz SPONHEKPTQYWPE-SFHVURJKSA-N 0 0 457.424 4.657 20 0 JJADRN C[C@@H](C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001443706222 1066354765 /nfs/dbraw/zinc/35/47/65/1066354765.db2.gz SPUKFMUFXZCSPA-UXHICEINSA-N 0 0 450.579 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Cn2c3ccccc3nc2C2CCCCC2)C1 ZINC001443706225 1066354914 /nfs/dbraw/zinc/35/49/14/1066354914.db2.gz SQAJEQKIWIUMOF-IBGZPJMESA-N 0 0 454.615 4.847 20 0 JJADRN Cc1c(Cl)ccc2c1CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)CC2 ZINC001455034439 1066354771 /nfs/dbraw/zinc/35/47/71/1066354771.db2.gz YMRXBJOOLWSTQC-AREMUKBSSA-N 0 0 454.817 4.884 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4ccc(Cl)c(C)c4C3)c2)cc1 ZINC001455032449 1066354844 /nfs/dbraw/zinc/35/48/44/1066354844.db2.gz FAJRJDMKNNQTPO-UHFFFAOYSA-N 0 0 454.979 4.956 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001455044722 1066355253 /nfs/dbraw/zinc/35/52/53/1066355253.db2.gz GUCVBDBIQNPEMA-UHFFFAOYSA-N 0 0 453.377 4.921 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2Cc2cnccc2OC)C1 ZINC001546067846 1066355302 /nfs/dbraw/zinc/35/53/02/1066355302.db2.gz CQRGUPDGZPMWMG-JOCHJYFZSA-N 0 0 456.388 4.786 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC001361106527 1066355578 /nfs/dbraw/zinc/35/55/78/1066355578.db2.gz HTYAUNJOLARMKO-UHFFFAOYSA-N 0 0 458.484 4.917 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccnc3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC001546068046 1066355577 /nfs/dbraw/zinc/35/55/77/1066355577.db2.gz GZFXLSMLEYXJHJ-JOCHJYFZSA-N 0 0 459.520 4.883 20 0 JJADRN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1(C)C ZINC001361106965 1066355939 /nfs/dbraw/zinc/35/59/39/1066355939.db2.gz MYMQOKJWRBYBKB-RLWLMLJZSA-N 0 0 457.615 4.832 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001361106827 1066355968 /nfs/dbraw/zinc/35/59/68/1066355968.db2.gz LBKYCRQATJPUML-UHFFFAOYSA-N 0 0 455.643 4.736 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)[C@@H](C)Cc3cncc4ccccc43)CC2)nc1C ZINC001455057495 1066356178 /nfs/dbraw/zinc/35/61/78/1066356178.db2.gz VPWKVTRPJMEPKR-INIZCTEOSA-N 0 0 451.592 4.761 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(Br)c2)C1 ZINC001546068111 1066356264 /nfs/dbraw/zinc/35/62/64/1066356264.db2.gz IFGCRTNHKXFSRA-QHCPKHFHSA-N 0 0 472.431 4.924 20 0 JJADRN O=C([C@@H](Sc1ccc(F)cc1)c1ccccc1)N1CC(c2ncc(Br)cn2)C1 ZINC001455056699 1066356312 /nfs/dbraw/zinc/35/63/12/1066356312.db2.gz BOGISOKBIAHTCT-IBGZPJMESA-N 0 0 458.356 4.838 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361107331 1066356514 /nfs/dbraw/zinc/35/65/14/1066356514.db2.gz MMJVSTTXNCGRQO-LEWJYISDSA-N 0 0 467.658 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361107542 1066356559 /nfs/dbraw/zinc/35/65/59/1066356559.db2.gz OHEHJWSJIMPHFQ-IBGZPJMESA-N 0 0 477.531 4.697 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001455067904 1066356867 /nfs/dbraw/zinc/35/68/67/1066356867.db2.gz UGMNZOOJGJFEQO-SJBKTWHCSA-N 0 0 479.802 4.706 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(F)cc2C1)OC ZINC001545961426 1066356720 /nfs/dbraw/zinc/35/67/20/1066356720.db2.gz VLNYWTNYIMUNLL-MRXNPFEDSA-N 0 0 465.392 4.896 20 0 JJADRN CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCSc2ccc(Br)cc21 ZINC001443722148 1066357000 /nfs/dbraw/zinc/35/70/00/1066357000.db2.gz DMHXRWACQPUNNN-BJJXKVORSA-N 0 0 455.418 4.748 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361108283 1066356971 /nfs/dbraw/zinc/35/69/71/1066356971.db2.gz VLMQHUJZXBAEAB-YADHBBJMSA-N 0 0 479.625 4.611 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)nc21 ZINC001455071950 1066357153 /nfs/dbraw/zinc/35/71/53/1066357153.db2.gz RDBXTUHMBXODIX-KRWDZBQOSA-N 0 0 457.552 4.826 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001361108392 1066357369 /nfs/dbraw/zinc/35/73/69/1066357369.db2.gz XJTRRBLWIGEFPV-KSZLIROESA-N 0 0 472.431 4.914 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361108380 1066357386 /nfs/dbraw/zinc/35/73/86/1066357386.db2.gz XDAGJYQWMDJDDA-UXHICEINSA-N 0 0 457.619 4.623 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443726864 1066357967 /nfs/dbraw/zinc/35/79/67/1066357967.db2.gz KTEKQVFWZNZXTR-LPMFXHHGSA-N 0 0 475.388 4.926 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001443726188 1066358093 /nfs/dbraw/zinc/35/80/93/1066358093.db2.gz GLJUVKUQALPLPX-LJQANCHMSA-N 0 0 451.741 4.500 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)c1 ZINC001361109812 1066358322 /nfs/dbraw/zinc/35/83/22/1066358322.db2.gz GHFVVDDFNSPODD-GGAORHGYSA-N 0 0 499.656 4.599 20 0 JJADRN Cc1noc(C2(C)CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)CC2)n1 ZINC001361109720 1066358370 /nfs/dbraw/zinc/35/83/70/1066358370.db2.gz DVQYZIIASKXKEH-SFHVURJKSA-N 0 0 452.603 4.601 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](F)C2)c1 ZINC001361110023 1066358736 /nfs/dbraw/zinc/35/87/36/1066358736.db2.gz LHZWCAILPYJZFM-WKDRNLAYSA-N 0 0 487.620 4.920 20 0 JJADRN O=C(c1nc(Br)ccc1F)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443729287 1066358885 /nfs/dbraw/zinc/35/88/85/1066358885.db2.gz OOJWDCSYKORAEA-CYBMUJFWSA-N 0 0 452.082 4.643 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1C ZINC001361110100 1066358857 /nfs/dbraw/zinc/35/88/57/1066358857.db2.gz AZYNTLWSWXTBCN-UHFFFAOYSA-N 0 0 458.356 4.749 20 0 JJADRN CN(C)c1cc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c2ccccc2n1 ZINC001361110029 1066358986 /nfs/dbraw/zinc/35/89/86/1066358986.db2.gz ABISRVDBNHRRQE-UHFFFAOYSA-N 0 0 457.431 4.574 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)Nc3ccc(C4CC4)cc3F)ccc2NC1=O ZINC001455086257 1066359137 /nfs/dbraw/zinc/35/91/37/1066359137.db2.gz PPOUMIBWQLPZSU-NRFANRHFSA-N 0 0 453.514 4.733 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)Nc3ccc(C4CC4)cc3F)ccc2NC1=O ZINC001455086260 1066359162 /nfs/dbraw/zinc/35/91/62/1066359162.db2.gz PPOUMIBWQLPZSU-OAQYLSRUSA-N 0 0 453.514 4.733 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CCC(C(F)(F)F)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110161 1066359352 /nfs/dbraw/zinc/35/93/52/1066359352.db2.gz LVZVMSWDLNNAQM-YADARESESA-N 0 0 496.574 4.873 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC001443729608 1066359331 /nfs/dbraw/zinc/35/93/31/1066359331.db2.gz PSMUPYLTDLYVKU-HXUWFJFHSA-N 0 0 452.288 4.979 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)=C2 ZINC001455095313 1066359614 /nfs/dbraw/zinc/35/96/14/1066359614.db2.gz FAZVMDZBBPVLMJ-SANMLTNESA-N 0 0 458.599 4.651 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001443731127 1066359909 /nfs/dbraw/zinc/35/99/09/1066359909.db2.gz OGZLUBWKBLLQDO-JTQLQIEISA-N 0 0 452.629 4.873 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)nn1-c1ccc(F)cc1 ZINC001443731726 1066359946 /nfs/dbraw/zinc/35/99/46/1066359946.db2.gz SNWGRXGKBAEWNU-FQEVSTJZSA-N 0 0 452.288 4.979 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC001455096889 1066359842 /nfs/dbraw/zinc/35/98/42/1066359842.db2.gz IQHRMIPVEJUMCY-SANMLTNESA-N 0 0 454.615 4.594 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)c1C ZINC001361110697 1066360205 /nfs/dbraw/zinc/36/02/05/1066360205.db2.gz KNAJYEITHSEBJG-UHFFFAOYSA-N 0 0 455.505 4.753 20 0 JJADRN Cc1c(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cnn1-c1ccc(C)cc1 ZINC001455097842 1066360551 /nfs/dbraw/zinc/36/05/51/1066360551.db2.gz LRMNPWYKGJWMBE-SANMLTNESA-N 0 0 454.615 4.892 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001546068640 1066360660 /nfs/dbraw/zinc/36/06/60/1066360660.db2.gz SWUNIXDXYBCXBY-GHTZIAJQSA-N 0 0 450.484 4.926 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)C2)c1 ZINC001455101290 1066360829 /nfs/dbraw/zinc/36/08/29/1066360829.db2.gz LPSUXHRNZLENLH-HFZDXXHNSA-N 0 0 457.615 4.586 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2ccc(F)cc2I)c1C ZINC001361111247 1066361350 /nfs/dbraw/zinc/36/13/50/1066361350.db2.gz QNEBSGAPXNOTOB-UHFFFAOYSA-N 0 0 457.283 4.544 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361111195 1066361427 /nfs/dbraw/zinc/36/14/27/1066361427.db2.gz XIHUFHIXSVLTTP-RBBKRZOGSA-N 0 0 483.657 4.748 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361111772 1066362011 /nfs/dbraw/zinc/36/20/11/1066362011.db2.gz BCPIJCGJSGIVBV-CUNXSJBXSA-N 0 0 470.658 4.969 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)cc1 ZINC001455108595 1066362064 /nfs/dbraw/zinc/36/20/64/1066362064.db2.gz KSRZPCGXLLHONH-UHFFFAOYSA-N 0 0 456.539 4.621 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361111951 1066362241 /nfs/dbraw/zinc/36/22/41/1066362241.db2.gz GWEOXUAELDUNHH-VSKRKVRLSA-N 0 0 483.657 4.872 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455109121 1066362477 /nfs/dbraw/zinc/36/24/77/1066362477.db2.gz FMBJGEHAAFOKTA-OBGWFSINSA-N 0 0 452.551 4.952 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1 ZINC001455111773 1066362516 /nfs/dbraw/zinc/36/25/16/1066362516.db2.gz ZJCQKFVAKXDZIP-FHNCXKBBSA-N 0 0 464.562 4.924 20 0 JJADRN CCc1c(C(=O)N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)cnn1CCC(C)C ZINC001455110968 1066362551 /nfs/dbraw/zinc/36/25/51/1066362551.db2.gz WNCYDSXHQFRFLL-UHFFFAOYSA-N 0 0 456.587 4.873 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361112144 1066362795 /nfs/dbraw/zinc/36/27/95/1066362795.db2.gz MTDINPLYICHKPG-UHFFFAOYSA-N 0 0 457.619 4.626 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCC3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361112043 1066363000 /nfs/dbraw/zinc/36/30/00/1066363000.db2.gz KAYCSMLQFUEZRM-UHFFFAOYSA-N 0 0 465.564 4.644 20 0 JJADRN O=C([C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001455116297 1066363166 /nfs/dbraw/zinc/36/31/66/1066363166.db2.gz UWYODSBUBHEDLU-UTKZUKDTSA-N 0 0 450.362 4.504 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)Cc2c(Cl)cccc2Br)n1 ZINC001361112730 1066364106 /nfs/dbraw/zinc/36/41/06/1066364106.db2.gz HSRYLZASGSZBFV-NSHDSACASA-N 0 0 450.720 4.581 20 0 JJADRN CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C(=O)c1ccccc1 ZINC001455126123 1066363950 /nfs/dbraw/zinc/36/39/50/1066363950.db2.gz ZZDPFEFUTUJNBB-RUZDIDTESA-N 0 0 453.542 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001546069026 1066364028 /nfs/dbraw/zinc/36/40/28/1066364028.db2.gz BDAJODNNKUCBLX-OAHLLOKOSA-N 0 0 452.477 4.867 20 0 JJADRN CCn1cc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@H]4CCC(C(C)C)=CC4=CC[C@H]23)c(=O)[nH]c1=O ZINC001455124006 1066364211 /nfs/dbraw/zinc/36/42/11/1066364211.db2.gz AAADJZWPAHFTTN-DOQQYFFYSA-N 0 0 453.627 4.720 20 0 JJADRN C[C@H](CCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001443765439 1066364395 /nfs/dbraw/zinc/36/43/95/1066364395.db2.gz IHNKQPSBLMDWGH-GUDVDZBRSA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(C(F)(F)F)cc2Cl)(c2ccccc2)C1 ZINC001455138701 1066364436 /nfs/dbraw/zinc/36/44/36/1066364436.db2.gz HNQSFUSCACNSEY-UHFFFAOYSA-N 0 0 455.864 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC001455135538 1066364457 /nfs/dbraw/zinc/36/44/57/1066364457.db2.gz JBPRUGCPNMXQJE-UHFFFAOYSA-N 0 0 455.864 4.630 20 0 JJADRN C/C(=C/C(=O)NC1(c2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F ZINC001455139558 1066364529 /nfs/dbraw/zinc/36/45/29/1066364529.db2.gz JJJSDCYJMTYZMD-VKAVYKQESA-N 0 0 458.505 4.954 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)c1ccc2ccccc2c1 ZINC001546069156 1066364656 /nfs/dbraw/zinc/36/46/56/1066364656.db2.gz FWLAZZRMOORELD-HXUWFJFHSA-N 0 0 454.404 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)(c2ccccc2)C1 ZINC001455137419 1066364679 /nfs/dbraw/zinc/36/46/79/1066364679.db2.gz MVLUVSFLUJGCGM-UHFFFAOYSA-N 0 0 453.926 4.871 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)ccn2)c1C ZINC001361113205 1066364578 /nfs/dbraw/zinc/36/45/78/1066364578.db2.gz QZGNTYDYZNIEJF-UHFFFAOYSA-N 0 0 451.910 4.759 20 0 JJADRN COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C)CCCC1 ZINC001443765231 1066364609 /nfs/dbraw/zinc/36/46/09/1066364609.db2.gz MYLATFAYMFXIKB-XMMPIXPASA-N 0 0 450.579 4.627 20 0 JJADRN Cc1cc2cc(Cn3c(C(C)C)nnc3N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)ccc2[nH]1 ZINC001361113696 1066364822 /nfs/dbraw/zinc/36/48/22/1066364822.db2.gz PHGGCKIVTWSPMX-QUCCMNQESA-N 0 0 466.630 4.979 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2CCCc2c[nH]nc2C)C1 ZINC001546068478 1066365332 /nfs/dbraw/zinc/36/53/32/1066365332.db2.gz QCMKXSDQWQWFCK-JOCHJYFZSA-N 0 0 457.420 4.998 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCOc2cccc(C)c2)cn1 ZINC001361114026 1066365400 /nfs/dbraw/zinc/36/54/00/1066365400.db2.gz ZNAQBXUMCGILKB-UHFFFAOYSA-N 0 0 473.625 4.628 20 0 JJADRN C[C@H](CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)N(C)C(=O)OC(C)(C)C ZINC001443769930 1066365575 /nfs/dbraw/zinc/36/55/75/1066365575.db2.gz OSBVGFJLDXLVME-UZLBHIALSA-N 0 0 456.002 4.768 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H](C)c2ncc(C)s2)n1 ZINC001361113969 1066365570 /nfs/dbraw/zinc/36/55/70/1066365570.db2.gz YERZJMOOBCKIHW-GOSISDBHSA-N 0 0 479.654 4.532 20 0 JJADRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001455148009 1066365540 /nfs/dbraw/zinc/36/55/40/1066365540.db2.gz YSKVRIMRFKLGAZ-UHFFFAOYSA-N 0 0 453.539 4.869 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c2ccc(F)cc2Cl)cc1 ZINC001443770550 1066366090 /nfs/dbraw/zinc/36/60/90/1066366090.db2.gz VFQULHUZHUSMAU-AOYPEHQESA-N 0 0 450.941 4.841 20 0 JJADRN CN(CCCNC(=O)c1ccccc1OCc1ccc(Br)cc1)c1ccccn1 ZINC001455155771 1066366097 /nfs/dbraw/zinc/36/60/97/1066366097.db2.gz VRTMEWQELQXIMW-UHFFFAOYSA-N 0 0 454.368 4.679 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001455157056 1066366295 /nfs/dbraw/zinc/36/62/95/1066366295.db2.gz CSQDDUBLGPUJOK-SFHVURJKSA-N 0 0 450.988 4.889 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(O)c(C(C)C)c3)cc2)cc1 ZINC001455164107 1066366740 /nfs/dbraw/zinc/36/67/40/1066366740.db2.gz BFXUHBGOGAPUTL-UHFFFAOYSA-N 0 0 452.532 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC001455160927 1066366981 /nfs/dbraw/zinc/36/69/81/1066366981.db2.gz SORCROVMFMZPGV-JOCHJYFZSA-N 0 0 450.988 4.891 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CC2)s1 ZINC001361115441 1066366885 /nfs/dbraw/zinc/36/68/85/1066366885.db2.gz KNDBNKOQNAFESW-QGZVFWFLSA-N 0 0 485.629 4.515 20 0 JJADRN Cc1ccn2cc(Cn3c(COc4ccc(Cl)cc4)nnc3N(C)CCC(C)C)nc2c1 ZINC001361115502 1066367004 /nfs/dbraw/zinc/36/70/04/1066367004.db2.gz MSEJXDFYCKQFCX-UHFFFAOYSA-N 0 0 452.990 4.997 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC001443776895 1066367209 /nfs/dbraw/zinc/36/72/09/1066367209.db2.gz YHFFKLCEJFTARP-QFIPXVFZSA-N 0 0 451.571 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1(C)C ZINC001455166967 1066367218 /nfs/dbraw/zinc/36/72/18/1066367218.db2.gz NHLBJSRNUSLJLM-ICSRJNTNSA-N 0 0 451.592 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)cn2)C1 ZINC001443779423 1066367556 /nfs/dbraw/zinc/36/75/56/1066367556.db2.gz RSTQCVTXIQQTMM-ATIYNZHBSA-N 0 0 452.599 4.649 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1 ZINC001361116539 1066367489 /nfs/dbraw/zinc/36/74/89/1066367489.db2.gz FRVSWRXMXJHHCD-ILBGXUMGSA-N 0 0 495.712 4.979 20 0 JJADRN CN(CC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc(C(F)(F)F)cc1C=O ZINC001443780239 1066367625 /nfs/dbraw/zinc/36/76/25/1066367625.db2.gz OYKRLPGHYPJBDX-UHFFFAOYSA-N 0 0 455.436 4.590 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(C)(F)F)c3)CC2)s1 ZINC001361116816 1066367883 /nfs/dbraw/zinc/36/78/83/1066367883.db2.gz QJYUNFRKUYCUQW-UHFFFAOYSA-N 0 0 487.620 4.969 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCCOCCC(C)C)CC2)cc1 ZINC001361116782 1066367975 /nfs/dbraw/zinc/36/79/75/1066367975.db2.gz PMAPJKCYXMQPJI-UHFFFAOYSA-N 0 0 469.674 4.590 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3CCc3csc(C(C)C)n3)CC2)s1 ZINC001361116547 1066368169 /nfs/dbraw/zinc/36/81/69/1066368169.db2.gz FUCUZDXXXQBLRK-UHFFFAOYSA-N 0 0 472.684 4.556 20 0 JJADRN COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)[nH]c2c(OC)c1OC ZINC001443788102 1066368645 /nfs/dbraw/zinc/36/86/45/1066368645.db2.gz GKCZPAHWVPFHCY-UHFFFAOYSA-N 0 0 454.870 4.682 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001455186627 1066368459 /nfs/dbraw/zinc/36/84/59/1066368459.db2.gz JBBZEQRIXLJMLZ-OHUGHZGNSA-N 0 0 458.599 4.649 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4ccsc4)n3CCC(C)(F)F)CC2)s1 ZINC001361117586 1066369158 /nfs/dbraw/zinc/36/91/58/1066369158.db2.gz JCVUONXNRQRFMG-UHFFFAOYSA-N 0 0 479.622 4.744 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001455193120 1066369167 /nfs/dbraw/zinc/36/91/67/1066369167.db2.gz GUPLJYAGWQGSAS-QGZVFWFLSA-N 0 0 453.417 4.855 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)s2)cc1 ZINC001443803382 1066369597 /nfs/dbraw/zinc/36/95/97/1066369597.db2.gz LEEMOJWGOVBXRC-HXUWFJFHSA-N 0 0 452.580 4.950 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4csc(C)n4)n3CCCC(C)C)CC2)s1 ZINC001361118178 1066369606 /nfs/dbraw/zinc/36/96/06/1066369606.db2.gz UREYXKNRXBQLDA-UHFFFAOYSA-N 0 0 486.711 4.839 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455213016 1066370873 /nfs/dbraw/zinc/37/08/73/1066370873.db2.gz MWKZPKKVCWJMBU-HKUYNNGSSA-N 0 0 452.473 4.830 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(C[S@@](=O)C4CCOCC4)c3)o2)cc1 ZINC001443817146 1066371184 /nfs/dbraw/zinc/37/11/84/1066371184.db2.gz JQJZJQAYWZBPIR-JGCGQSQUSA-N 0 0 451.544 4.829 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3cccnc3)nnc2N(CC(C)C)C2CCCC2)cc1F ZINC001361120682 1066371447 /nfs/dbraw/zinc/37/14/47/1066371447.db2.gz ZBDVDAMURNAVHA-UHFFFAOYSA-N 0 0 464.589 4.623 20 0 JJADRN COc1cc(C2(C(=O)Nc3cccc(C[S@](=O)C4CCOCC4)c3)CCCC2)ccc1C ZINC001443822590 1066371748 /nfs/dbraw/zinc/37/17/48/1066371748.db2.gz PPPBVDRVPUJNBM-YTTGMZPUSA-N 0 0 455.620 4.882 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc(Oc2ccccc2F)nc1 ZINC001443822167 1066371811 /nfs/dbraw/zinc/37/18/11/1066371811.db2.gz OFEHUKHQVCVLRZ-YTTGMZPUSA-N 0 0 454.523 4.693 20 0 JJADRN COc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(Cl)c1OCC(C)C ZINC001455220283 1066371788 /nfs/dbraw/zinc/37/17/88/1066371788.db2.gz OGOOBNSWBZXBJB-XLIONFOSSA-N 0 0 459.892 4.648 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)cc12 ZINC001361121451 1066371945 /nfs/dbraw/zinc/37/19/45/1066371945.db2.gz JZPJUVXDQYASJZ-CYBMUJFWSA-N 0 0 456.015 4.819 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cncc(-c2ccc(OC)cc2)c1)Cc1cccc2ccccc21 ZINC001443825665 1066372261 /nfs/dbraw/zinc/37/22/61/1066372261.db2.gz UZQSSFZCEJRJST-XMMPIXPASA-N 0 0 454.526 4.672 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)CC[C@H]2C)cc1F ZINC001361122660 1066372272 /nfs/dbraw/zinc/37/22/72/1066372272.db2.gz NDRCLCQZAPHNND-HGPLWSSJSA-N 0 0 485.648 4.699 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1 ZINC001455221838 1066372460 /nfs/dbraw/zinc/37/24/60/1066372460.db2.gz NANMHSJDOFLEPE-ZBFHGGJFSA-N 0 0 455.502 4.744 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC001443827974 1066372740 /nfs/dbraw/zinc/37/27/40/1066372740.db2.gz XUGSWIGMZSSRTH-LJQANCHMSA-N 0 0 459.635 4.897 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H]2NC(=O)CC2(C)C)c1 ZINC001361122999 1066372761 /nfs/dbraw/zinc/37/27/61/1066372761.db2.gz SCJAWIMTIBIQPW-WMZHIEFXSA-N 0 0 479.625 4.994 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001455227234 1066372754 /nfs/dbraw/zinc/37/27/54/1066372754.db2.gz QOTVQIPSHBGCGS-GOSISDBHSA-N 0 0 458.521 4.720 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545962554 1066373308 /nfs/dbraw/zinc/37/33/08/1066373308.db2.gz FQEHKYVUROVUCV-BHIFYINESA-N 0 0 451.615 4.586 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001361123412 1066373453 /nfs/dbraw/zinc/37/34/53/1066373453.db2.gz AGDLYFGFUZZSTQ-IEBWSBKVSA-N 0 0 477.600 4.685 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)cc1F ZINC001361123371 1066373488 /nfs/dbraw/zinc/37/34/88/1066373488.db2.gz ZGKBXUDCUWVSSG-QZNHQXDQSA-N 0 0 485.648 4.557 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001455229724 1066373516 /nfs/dbraw/zinc/37/35/16/1066373516.db2.gz YTDIKTNYOFAQCC-FGZHOGPDSA-N 0 0 456.464 4.512 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCc1sccc1Br)c1ccccc1 ZINC001455227366 1066373534 /nfs/dbraw/zinc/37/35/34/1066373534.db2.gz UVZLGNXKGMZORM-HXUWFJFHSA-N 0 0 453.402 4.609 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001455229709 1066373696 /nfs/dbraw/zinc/37/36/96/1066373696.db2.gz YTDIKTNYOFAQCC-FCHUYYIVSA-N 0 0 456.464 4.512 20 0 JJADRN CC(C)C(=O)Nc1cccc(OC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001443835546 1066373798 /nfs/dbraw/zinc/37/37/98/1066373798.db2.gz XIELUQIJQRWECU-UHFFFAOYSA-N 0 0 457.527 4.603 20 0 JJADRN Cn1[nH]c(-c2ccccc2)c2c(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)nnc1-2 ZINC001443834777 1066373867 /nfs/dbraw/zinc/37/38/67/1066373867.db2.gz VTQZLLCUXJYRPK-UHFFFAOYSA-N 0 0 450.713 4.941 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC001443840368 1066374399 /nfs/dbraw/zinc/37/43/99/1066374399.db2.gz RCTTYRIJHCZYAA-AVRDEDQJSA-N 0 0 458.562 4.626 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1([S@@](C)=O)CCC1 ZINC001361123663 1066374432 /nfs/dbraw/zinc/37/44/32/1066374432.db2.gz IXQBIFOOENSUTP-PGUFJCEWSA-N 0 0 499.681 4.831 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361123604 1066374558 /nfs/dbraw/zinc/37/45/58/1066374558.db2.gz HHNPJBKNCFLPNY-ROUUACIJSA-N 0 0 454.537 4.839 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361123605 1066374571 /nfs/dbraw/zinc/37/45/71/1066374571.db2.gz HHNPJBKNCFLPNY-ZWKOTPCHSA-N 0 0 454.537 4.839 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C3CCCCC3)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001361123576 1066374633 /nfs/dbraw/zinc/37/46/33/1066374633.db2.gz GAPPDFUGCMAKAS-RXFWQSSRSA-N 0 0 456.631 4.598 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C(/C)c1ccccc1OC(F)F)Cc1ccc2ccccc2c1 ZINC001443843910 1066374938 /nfs/dbraw/zinc/37/49/38/1066374938.db2.gz YEFKDQRESABRTF-YULVEUEDSA-N 0 0 453.485 4.993 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCC3)n2CCN2CCOC(C)(C)C2)c1 ZINC001361123787 1066375460 /nfs/dbraw/zinc/37/54/60/1066375460.db2.gz MSMOZXKHURAULI-UHFFFAOYSA-N 0 0 469.674 4.636 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N(C)CCOc3ccc(OCc4ccccc4)cc3)c2N1 ZINC001443846023 1066375542 /nfs/dbraw/zinc/37/55/42/1066375542.db2.gz XJINBFFXJUSASL-VGOFRKELSA-N 0 0 470.520 4.623 20 0 JJADRN O=C(NCc1cc(O)ccc1Cl)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001455252516 1066375422 /nfs/dbraw/zinc/37/54/22/1066375422.db2.gz KRVODMZKYWOVTN-UHFFFAOYSA-N 0 0 459.727 4.990 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)N2CCOCC2)o1 ZINC001361123899 1066375503 /nfs/dbraw/zinc/37/55/03/1066375503.db2.gz QKICPEPAKAGGHE-OAQYLSRUSA-N 0 0 481.641 4.547 20 0 JJADRN 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Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC2([S@](C)=O)CC2)c1 ZINC001361126282 1066383601 /nfs/dbraw/zinc/38/36/01/1066383601.db2.gz PJVGOWGTHYVOMX-YTTGMZPUSA-N 0 0 458.672 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2sccc2F)(c2ccc(Br)cc2)C1 ZINC001455345492 1066383715 /nfs/dbraw/zinc/38/37/15/1066383715.db2.gz IGPQUIOHLPCMBE-UHFFFAOYSA-N 0 0 455.349 4.526 20 0 JJADRN O=C(N[C@@H]1Cc2cnccc2NC1=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001455346768 1066383867 /nfs/dbraw/zinc/38/38/67/1066383867.db2.gz UWWYRDAESGGLBW-HXUWFJFHSA-N 0 0 458.370 4.974 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545963158 1066384043 /nfs/dbraw/zinc/38/40/43/1066384043.db2.gz QTISONFCNDFTRM-HXUWFJFHSA-N 0 0 483.613 4.837 20 0 JJADRN Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)c(Br)n1 ZINC001455352762 1066384583 /nfs/dbraw/zinc/38/45/83/1066384583.db2.gz SEYCEHFYFLZQLN-UHFFFAOYSA-N 0 0 456.731 4.941 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1nc(/C=C\c2ccccc2)cs1)c1cnn(C)c1 ZINC001443909689 1066384580 /nfs/dbraw/zinc/38/45/80/1066384580.db2.gz ILAMQKYWOFOMRI-JZHDPFOFSA-N 0 0 453.568 4.594 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1nc(/C=C\c2ccccc2)cs1)c1cnn(C)c1 ZINC001443909697 1066384850 /nfs/dbraw/zinc/38/48/50/1066384850.db2.gz ILAMQKYWOFOMRI-YAINUAMHSA-N 0 0 453.568 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3COC(C)(C)O[C@@H]3c3ccccc3)cc2C1 ZINC001455373873 1066384733 /nfs/dbraw/zinc/38/47/33/1066384733.db2.gz ACVSNLVQLYRIMT-DHIUTWEWSA-N 0 0 466.578 4.602 20 0 JJADRN CC(C)n1cc2c(n1)[C@@H](NC(=O)CCC(=O)Nc1ccc(N3CCC(C)CC3)cc1)CCC2 ZINC001546071941 1066384751 /nfs/dbraw/zinc/38/47/51/1066384751.db2.gz SVGKTYKAEMHQFC-QHCPKHFHSA-N 0 0 451.615 4.613 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455374137 1066384843 /nfs/dbraw/zinc/38/48/43/1066384843.db2.gz FKCQCTCIQWESGL-KTDPBYDISA-N 0 0 460.615 4.669 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455374133 1066384897 /nfs/dbraw/zinc/38/48/97/1066384897.db2.gz FKCQCTCIQWESGL-BWKHYTDRSA-N 0 0 460.615 4.669 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361126659 1066385804 /nfs/dbraw/zinc/38/58/04/1066385804.db2.gz XHJQAJSVGZGANW-NOMHHCBYSA-N 0 0 470.658 4.844 20 0 JJADRN COC(=O)CC[C@@H]1CCCN(C(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001455398311 1066386325 /nfs/dbraw/zinc/38/63/25/1066386325.db2.gz FIFZRBFNZIOOEN-SFTDATJTSA-N 0 0 452.636 4.822 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2nc(C)cc2C)C1 ZINC001546072324 1066386382 /nfs/dbraw/zinc/38/63/82/1066386382.db2.gz CSIUHJYYQAPMLC-HHHXNRCGSA-N 0 0 499.704 4.923 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCC(=O)NC(C)C)c1 ZINC001361126922 1066386480 /nfs/dbraw/zinc/38/64/80/1066386480.db2.gz CAGYDLYBKBLGJU-UHFFFAOYSA-N 0 0 455.647 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)C(C)(C)C ZINC001443928733 1066386574 /nfs/dbraw/zinc/38/65/74/1066386574.db2.gz AYDDMERKQXWVRC-KRWDZBQOSA-N 0 0 452.958 4.992 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)c2ccccc2)C1 ZINC001546072330 1066387081 /nfs/dbraw/zinc/38/70/81/1066387081.db2.gz CTEMXAXYGUUSFD-IZLXSDGUSA-N 0 0 497.684 4.927 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@H](OCC(C)C)C2)no1 ZINC001361127283 1066387552 /nfs/dbraw/zinc/38/75/52/1066387552.db2.gz GYELSPLVFNJRPO-JOCHJYFZSA-N 0 0 467.614 4.885 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001455407654 1066387477 /nfs/dbraw/zinc/38/74/77/1066387477.db2.gz OPRIVOXLLTZCDQ-DTQAZKPQSA-N 0 0 454.489 4.848 20 0 JJADRN CCN(C(=O)CSc1nncn1-c1ccc(C(C)C)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001443947979 1066387760 /nfs/dbraw/zinc/38/77/60/1066387760.db2.gz PCQQEEIQNOWQCH-LJQANCHMSA-N 0 0 452.624 4.971 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC2(C)CCOCC2)c1 ZINC001361127145 1066387649 /nfs/dbraw/zinc/38/76/49/1066387649.db2.gz GBPLMCDPFFBXHR-NRFANRHFSA-N 0 0 456.631 4.721 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001455414748 1066387950 /nfs/dbraw/zinc/38/79/50/1066387950.db2.gz IIPVQYVOYDRGTF-FQEVSTJZSA-N 0 0 450.579 4.980 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545963402 1066388293 /nfs/dbraw/zinc/38/82/93/1066388293.db2.gz VUWCEFPBHRBEHS-NHCUHLMSSA-N 0 0 497.615 4.974 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 ZINC001361127387 1066388443 /nfs/dbraw/zinc/38/84/43/1066388443.db2.gz INCQYDGCKAWHQL-RLWLMLJZSA-N 0 0 456.631 4.599 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Cn4ccnn4)CC3)n2CCC(C)(F)F)c1 ZINC001361127522 1066388475 /nfs/dbraw/zinc/38/84/75/1066388475.db2.gz KUZODPMVMYSTJV-UHFFFAOYSA-N 0 0 487.599 4.842 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NC[C@@H](CO)c1ccc(Cl)cc1)C1CCCCCC1 ZINC001455420115 1066388556 /nfs/dbraw/zinc/38/85/56/1066388556.db2.gz IVJUWQAQIWKWBL-PZJWPPBQSA-N 0 0 453.023 4.643 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)c2ccccc21 ZINC001455426045 1066389090 /nfs/dbraw/zinc/38/90/90/1066389090.db2.gz PBCGMENHRMRAOS-MRXNPFEDSA-N 0 0 457.958 4.743 20 0 JJADRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001443968365 1066389088 /nfs/dbraw/zinc/38/90/88/1066389088.db2.gz PTTZYWYESAJKGB-XMMPIXPASA-N 0 0 457.640 4.631 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(F)(F)CC3)n2CCNC(=O)c2ccco2)c1 ZINC001361127637 1066389172 /nfs/dbraw/zinc/38/91/72/1066389172.db2.gz MNYZEJXQWCKTTF-UHFFFAOYSA-N 0 0 487.551 4.547 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001443974749 1066389628 /nfs/dbraw/zinc/38/96/28/1066389628.db2.gz QNIQZEPMJTXJOW-AWEZNQCLSA-N 0 0 452.885 4.835 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cccc(NCC(C)(C)C)c3C)CC2)c1 ZINC001443975130 1066389829 /nfs/dbraw/zinc/38/98/29/1066389829.db2.gz YWJSIOXHRPIESL-NRFANRHFSA-N 0 0 451.611 4.513 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C)n2CCN(C)CC(F)(F)F)c1 ZINC001361127838 1066390013 /nfs/dbraw/zinc/39/00/13/1066390013.db2.gz OYLHVSQNUSFBTH-SFHVURJKSA-N 0 0 453.553 4.772 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCNC(=O)C2CC2)c1 ZINC001361127906 1066390109 /nfs/dbraw/zinc/39/01/09/1066390109.db2.gz PZRKUWJBLKYQSM-JOCHJYFZSA-N 0 0 467.658 4.688 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCCCO2)C1 ZINC001546072874 1066390172 /nfs/dbraw/zinc/39/01/72/1066390172.db2.gz LRGOTDYVWYIHPK-QFQXNSOFSA-N 0 0 475.678 4.978 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3ccc4[nH]c(=O)n(CC(F)(F)F)c4c3)cc2)cc1 ZINC001443978356 1066390239 /nfs/dbraw/zinc/39/02/39/1066390239.db2.gz YFQHFCOSYNNGJT-UHFFFAOYSA-N 0 0 455.436 4.910 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361128057 1066390373 /nfs/dbraw/zinc/39/03/73/1066390373.db2.gz RNRUCNNUEPBSCA-SANMLTNESA-N 0 0 458.647 4.703 20 0 JJADRN C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455444410 1066390639 /nfs/dbraw/zinc/39/06/39/1066390639.db2.gz GIFDTHDULHLNLF-FKYXPWRRSA-N 0 0 456.627 4.977 20 0 JJADRN COc1cc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2nccc(OC)c2c1 ZINC001455443678 1066390815 /nfs/dbraw/zinc/39/08/15/1066390815.db2.gz IVIWAISIHZLKDJ-SJORKVTESA-N 0 0 457.571 4.864 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443988343 1066390963 /nfs/dbraw/zinc/39/09/63/1066390963.db2.gz CRUITKBQDBZMKP-KRWDZBQOSA-N 0 0 451.336 4.892 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CC(=O)NCC(F)F)c1 ZINC001361128111 1066390982 /nfs/dbraw/zinc/39/09/82/1066390982.db2.gz SJKVRYNNTLFKEK-IBGZPJMESA-N 0 0 477.600 4.543 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC001443989502 1066391154 /nfs/dbraw/zinc/39/11/54/1066391154.db2.gz PMEJYYATLQDCFP-HSZRJFAPSA-N 0 0 455.352 4.620 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2ccncc2Br)cnn1-c1cccc(C(F)(F)F)c1 ZINC001455445821 1066391344 /nfs/dbraw/zinc/39/13/44/1066391344.db2.gz FZLIDELDOJNTEV-LLVKDONJSA-N 0 0 453.262 4.848 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccncc1Br ZINC001455446095 1066391480 /nfs/dbraw/zinc/39/14/80/1066391480.db2.gz HUFJXXSLFWCUNW-JTQLQIEISA-N 0 0 457.225 4.679 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br ZINC001455456855 1066392706 /nfs/dbraw/zinc/39/27/06/1066392706.db2.gz XSNSJXMRAVBXPS-GAJHUEQPSA-N 0 0 454.364 4.957 20 0 JJADRN C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001455456859 1066392725 /nfs/dbraw/zinc/39/27/25/1066392725.db2.gz XSNSJXMRAVBXPS-HXOBKFHXSA-N 0 0 454.364 4.957 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)C[C@H]3Oc4ccccc4NC3=O)cc2C)c1 ZINC001443998229 1066392965 /nfs/dbraw/zinc/39/29/65/1066392965.db2.gz YMQAOAUMFNWEKQ-RUZDIDTESA-N 0 0 458.558 4.939 20 0 JJADRN C[S@@](=O)C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC001443999255 1066393009 /nfs/dbraw/zinc/39/30/09/1066393009.db2.gz QWTHGGZNZJSQEH-KWMCUTETSA-N 0 0 453.416 4.895 20 0 JJADRN C[S@](=O)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC001443999253 1066393122 /nfs/dbraw/zinc/39/31/22/1066393122.db2.gz QWTHGGZNZJSQEH-JMQGSBJISA-N 0 0 453.416 4.895 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)C(C)(C)Cc3ccc(Br)cc3)CC2)cc1 ZINC001361129426 1066393189 /nfs/dbraw/zinc/39/31/89/1066393189.db2.gz XHQFOJGMERDLBU-UHFFFAOYSA-N 0 0 458.444 4.869 20 0 JJADRN CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)C2)[nH]n1 ZINC001455460655 1066393431 /nfs/dbraw/zinc/39/34/31/1066393431.db2.gz CTSMZIVZQMREFX-NRFANRHFSA-N 0 0 451.592 4.527 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)c2ccccc2)C1 ZINC001546072388 1066393463 /nfs/dbraw/zinc/39/34/63/1066393463.db2.gz DPTNXMNHTVAIBR-BCQCSXDESA-N 0 0 499.656 4.601 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001361129366 1066393318 /nfs/dbraw/zinc/39/33/18/1066393318.db2.gz WBWCAFQSUBFUOA-UHFFFAOYSA-N 0 0 452.599 4.646 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC001444004673 1066393452 /nfs/dbraw/zinc/39/34/52/1066393452.db2.gz VQZSBQUVSWZDRG-UHFFFAOYSA-N 0 0 453.583 4.953 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361129701 1066393411 /nfs/dbraw/zinc/39/34/11/1066393411.db2.gz BXRUZXLHBCSWQH-UHFFFAOYSA-N 0 0 469.655 4.928 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC001455461408 1066393697 /nfs/dbraw/zinc/39/36/97/1066393697.db2.gz CTXWDQYBWDQSPW-OAQYLSRUSA-N 0 0 451.464 4.712 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)n(C)n1 ZINC001361129716 1066393824 /nfs/dbraw/zinc/39/38/24/1066393824.db2.gz CJTWEQVYKOEBAI-DEOSSOPVSA-N 0 0 480.657 4.630 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001455462070 1066394085 /nfs/dbraw/zinc/39/40/85/1066394085.db2.gz FRWVNCRYSYQDQL-VGSWGCGISA-N 0 0 456.587 4.514 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)c2ccccc2)C1 ZINC001546072390 1066394019 /nfs/dbraw/zinc/39/40/19/1066394019.db2.gz DPTNXMNHTVAIBR-UMTXDNHDSA-N 0 0 499.656 4.601 20 0 JJADRN CC(C)(C)Oc1cccc(CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC001455468094 1066394735 /nfs/dbraw/zinc/39/47/35/1066394735.db2.gz FDJMCQOPTJZXGI-UHFFFAOYSA-N 0 0 450.608 4.790 20 0 JJADRN Cc1nnc(SCC(=O)Nc2cccc(SC(=O)N(C)C)c2)n1-c1cc(C)ccc1C ZINC001444015921 1066394580 /nfs/dbraw/zinc/39/45/80/1066394580.db2.gz NSXXTTMKVBDZJM-UHFFFAOYSA-N 0 0 455.609 4.697 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC(C)C)c1 ZINC001361130202 1066394953 /nfs/dbraw/zinc/39/49/53/1066394953.db2.gz KBQMWMFOSQKVLJ-UHFFFAOYSA-N 0 0 453.553 4.629 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2CCCC(C)C)c1 ZINC001361130091 1066395113 /nfs/dbraw/zinc/39/51/13/1066395113.db2.gz IVMFXBDMDIFLTQ-AREMUKBSSA-N 0 0 469.630 4.756 20 0 JJADRN 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O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001361130761 1066396276 /nfs/dbraw/zinc/39/62/76/1066396276.db2.gz WKIZUMGBESCIJN-QFIPXVFZSA-N 0 0 453.945 4.946 20 0 JJADRN CCc1cccc2c(CCNC(=O)c3cc(Br)cnc3Br)c[nH]c21 ZINC001444029260 1066396329 /nfs/dbraw/zinc/39/63/29/1066396329.db2.gz BKTUOEAVZKCDFF-UHFFFAOYSA-N 0 0 451.162 4.623 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1 ZINC001444036598 1066396515 /nfs/dbraw/zinc/39/65/15/1066396515.db2.gz XOFKCZWFNUGYOD-UQIDSAAFSA-N 0 0 456.999 4.799 20 0 JJADRN CCCc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC001444035664 1066396549 /nfs/dbraw/zinc/39/65/49/1066396549.db2.gz SATZSPSKPGUTLK-NRFANRHFSA-N 0 0 458.505 4.515 20 0 JJADRN CCOc1ccc(N(C)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC001455486122 1066396965 /nfs/dbraw/zinc/39/69/65/1066396965.db2.gz QQDQMHCLHJHHFW-UHFFFAOYSA-N 0 0 457.324 4.899 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCCCS2)c1 ZINC001361130959 1066397035 /nfs/dbraw/zinc/39/70/35/1066397035.db2.gz TXUNORRQXRETQV-FQEVSTJZSA-N 0 0 493.668 4.962 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001546073113 1066397089 /nfs/dbraw/zinc/39/70/89/1066397089.db2.gz OYVSXXNLTOWSHI-YZYNAAERSA-N 0 0 475.678 4.570 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001546073112 1066397143 /nfs/dbraw/zinc/39/71/43/1066397143.db2.gz OYVSXXNLTOWSHI-WGURPXDASA-N 0 0 475.678 4.570 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361131025 1066397240 /nfs/dbraw/zinc/39/72/40/1066397240.db2.gz VVPHNZUVCUUXEW-KNKQGSTJSA-N 0 0 496.574 4.729 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1 ZINC001444041239 1066397372 /nfs/dbraw/zinc/39/73/72/1066397372.db2.gz UUDWZWSOVSZVLH-DEOSSOPVSA-N 0 0 458.949 4.734 20 0 JJADRN COc1ccc(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)cc1NC(=O)C1CCCCC1 ZINC001444053412 1066397475 /nfs/dbraw/zinc/39/74/75/1066397475.db2.gz BVXZRSHBYDDBIC-UHFFFAOYSA-N 0 0 450.539 4.757 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CC(C)C)c1 ZINC001361131065 1066397545 /nfs/dbraw/zinc/39/75/45/1066397545.db2.gz XFIZEPXQPQFOGE-UHFFFAOYSA-N 0 0 467.658 4.926 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(C(F)(F)F)n2ccccc12 ZINC001444058075 1066397682 /nfs/dbraw/zinc/39/76/82/1066397682.db2.gz DHSZJQUFQFKKRQ-UHFFFAOYSA-N 0 0 459.449 4.579 20 0 JJADRN CC[C@@H](C)CN(C)C(=O)c1sccc1NC(=O)c1ccccc1I ZINC001444057301 1066397925 /nfs/dbraw/zinc/39/79/25/1066397925.db2.gz OKQUEBTZSCKIPR-GFCCVEGCSA-N 0 0 456.349 4.723 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001455496404 1066398057 /nfs/dbraw/zinc/39/80/57/1066398057.db2.gz QQCIJQOKNHAWEY-JOCHJYFZSA-N 0 0 452.599 4.870 20 0 JJADRN COc1ccc(C[C@](C)(CO)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 ZINC001455502947 1066398563 /nfs/dbraw/zinc/39/85/63/1066398563.db2.gz MPZJGNBTJJBYJY-HSZRJFAPSA-N 0 0 453.589 4.834 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C[C@H]21 ZINC001455502730 1066398636 /nfs/dbraw/zinc/39/86/36/1066398636.db2.gz QUVGTBSVYVSYNB-LUYSREMJSA-N 0 0 491.673 4.612 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC(C)C)C1 ZINC001546073201 1066398670 /nfs/dbraw/zinc/39/86/70/1066398670.db2.gz PWCOYWWALARJHN-NLFFAJNJSA-N 0 0 495.734 4.992 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C[C@H]21 ZINC001455502746 1066398789 /nfs/dbraw/zinc/39/87/89/1066398789.db2.gz QUVGTBSVYVSYNB-QGLKVJOYSA-N 0 0 491.673 4.612 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC[C@@H]1C ZINC001361131458 1066398753 /nfs/dbraw/zinc/39/87/53/1066398753.db2.gz ITYGSAISUAUWDS-MOPGFXCFSA-N 0 0 467.614 4.923 20 0 JJADRN CC[C@@H]1CCCN1C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC001444064885 1066398865 /nfs/dbraw/zinc/39/88/65/1066398865.db2.gz JMACRTWHFHPPMC-HXUWFJFHSA-N 0 0 450.608 4.956 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)c2nccs2)c1 ZINC001361131417 1066398916 /nfs/dbraw/zinc/39/89/16/1066398916.db2.gz HTTYFWMHMDOBAZ-SBHAEUEKSA-N 0 0 469.655 4.756 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)c2nccs2)c1 ZINC001361131416 1066398975 /nfs/dbraw/zinc/39/89/75/1066398975.db2.gz HTTYFWMHMDOBAZ-DYXWJJEUSA-N 0 0 469.655 4.756 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC001361131575 1066399437 /nfs/dbraw/zinc/39/94/37/1066399437.db2.gz LBODOIQPFRQKSD-XQBPLPMBSA-N 0 0 467.639 4.556 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@H](C)[C@H]2C)cnn1C ZINC001361131476 1066399457 /nfs/dbraw/zinc/39/94/57/1066399457.db2.gz IZFWPIJQIBFFEI-UYAOXDASSA-N 0 0 468.671 4.709 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC001361131574 1066399506 /nfs/dbraw/zinc/39/95/06/1066399506.db2.gz LBODOIQPFRQKSD-WOIUINJBSA-N 0 0 467.639 4.556 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)[C@@H]1c1ccccc1 ZINC001444070688 1066399440 /nfs/dbraw/zinc/39/94/40/1066399440.db2.gz PIKOSEDMABXYRB-ACJLOTCBSA-N 0 0 454.470 4.822 20 0 JJADRN COc1ccc(C[C@](C)(CO)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC ZINC001455506897 1066399732 /nfs/dbraw/zinc/39/97/32/1066399732.db2.gz JTXQTKBAMDDLFR-RUZDIDTESA-N 0 0 455.938 4.873 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC001444071613 1066399708 /nfs/dbraw/zinc/39/97/08/1066399708.db2.gz UKSIZTSIENFZTC-WJOKGBTCSA-N 0 0 457.621 4.659 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001361131613 1066400010 /nfs/dbraw/zinc/40/00/10/1066400010.db2.gz MJGZPGPTVGYHKU-QUCCMNQESA-N 0 0 498.697 4.693 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)C[C@@](C)(O)c2ccccc2)C1)C1CCCC1 ZINC001455508502 1066400294 /nfs/dbraw/zinc/40/02/94/1066400294.db2.gz FJILQXXUGQFDTH-HRRBBWQUSA-N 0 0 458.643 4.996 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCOC[C@@H]2C)s1 ZINC001361131715 1066400753 /nfs/dbraw/zinc/40/07/53/1066400753.db2.gz OPFBADPEJYMWIX-KRWDZBQOSA-N 0 0 455.628 4.636 20 0 JJADRN CCNc1nc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cs1 ZINC001455509828 1066400763 /nfs/dbraw/zinc/40/07/63/1066400763.db2.gz LFQKNNMYGIFCFC-FUHWJXTLSA-N 0 0 450.649 4.901 20 0 JJADRN CCOc1cccc(CC(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001455510430 1066401543 /nfs/dbraw/zinc/40/15/43/1066401543.db2.gz NBPYUPSUGSXEMU-KNQAVFIVSA-N 0 0 459.631 4.735 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2N)C1)C1CCCC1 ZINC001455512081 1066401590 /nfs/dbraw/zinc/40/15/90/1066401590.db2.gz UGMYYIIAFRSJJY-FOIQADDNSA-N 0 0 451.558 4.873 20 0 JJADRN Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H](C)c1ccc(C)cc1 ZINC001361132433 1066402354 /nfs/dbraw/zinc/40/23/54/1066402354.db2.gz YFVSYKRXYCZVMS-IBGZPJMESA-N 0 0 452.672 4.775 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)sc2nccc(C)c12 ZINC001455513155 1066402409 /nfs/dbraw/zinc/40/24/09/1066402409.db2.gz MJHQLAVXNYTWAT-KGLIPLIRSA-N 0 0 457.518 4.688 20 0 JJADRN C[C@H](CN(C)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F)C(C)(C)C ZINC001455521098 1066403485 /nfs/dbraw/zinc/40/34/85/1066403485.db2.gz GEZMJNKXEYBPLE-CQSZACIVSA-N 0 0 457.566 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)C[C@]2(C)C1 ZINC001455521356 1066403986 /nfs/dbraw/zinc/40/39/86/1066403986.db2.gz PGDSXKXDDYUYTE-HTAPYJJXSA-N 0 0 468.516 4.623 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)c2)c1 ZINC001455531265 1066404805 /nfs/dbraw/zinc/40/48/05/1066404805.db2.gz HSIGWSZZDOFNIN-FGZHOGPDSA-N 0 0 456.514 4.575 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)S[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545964282 1066404957 /nfs/dbraw/zinc/40/49/57/1066404957.db2.gz AXTZEUKWQXTWMS-BFYDXBDKSA-N 0 0 481.066 4.627 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001361134058 1066405484 /nfs/dbraw/zinc/40/54/84/1066405484.db2.gz GGTKHMVQSQAKFQ-REWPJTCUSA-N 0 0 454.640 4.673 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361134103 1066405543 /nfs/dbraw/zinc/40/55/43/1066405543.db2.gz GLXJJDSLTDVKHZ-SFHVURJKSA-N 0 0 483.542 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001455533044 1066405741 /nfs/dbraw/zinc/40/57/41/1066405741.db2.gz QZAJFXCLXUAQBC-MSOLQXFVSA-N 0 0 450.542 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001455533048 1066405770 /nfs/dbraw/zinc/40/57/70/1066405770.db2.gz QZAJFXCLXUAQBC-ROUUACIJSA-N 0 0 450.542 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001455533047 1066405820 /nfs/dbraw/zinc/40/58/20/1066405820.db2.gz QZAJFXCLXUAQBC-QZTJIDSGSA-N 0 0 450.542 4.810 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)NC[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)on2)c1 ZINC001455540916 1066407816 /nfs/dbraw/zinc/40/78/16/1066407816.db2.gz VBPLQBOJXOEFHS-HYBUGGRVSA-N 0 0 475.973 4.913 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361135136 1066408632 /nfs/dbraw/zinc/40/86/32/1066408632.db2.gz PXPTXYFNZJXQDW-OAQYLSRUSA-N 0 0 490.652 4.870 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1C ZINC001455543817 1066408597 /nfs/dbraw/zinc/40/85/97/1066408597.db2.gz DNSDTPNFXLJZJY-IBGZPJMESA-N 0 0 452.576 4.912 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)cc1O)c1cc(Cl)cc(Cl)c1F ZINC001455543423 1066408696 /nfs/dbraw/zinc/40/86/96/1066408696.db2.gz CCVDIZDEFXTKMI-ZETCQYMHSA-N 0 0 454.066 4.934 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H](O)c1ccccc1 ZINC001455542732 1066408747 /nfs/dbraw/zinc/40/87/47/1066408747.db2.gz MTZWUEIYADPOHD-XLIONFOSSA-N 0 0 457.324 4.536 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001444122101 1066409320 /nfs/dbraw/zinc/40/93/20/1066409320.db2.gz QYTAXOJQVCMHCE-GOSISDBHSA-N 0 0 453.535 4.788 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cn1C ZINC001361135526 1066409281 /nfs/dbraw/zinc/40/92/81/1066409281.db2.gz DSGXLQYNPSSCPM-UHFFFAOYSA-N 0 0 456.955 4.875 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361135309 1066409329 /nfs/dbraw/zinc/40/93/29/1066409329.db2.gz RCZURYRLVGTBFB-GOSISDBHSA-N 0 0 483.542 4.765 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001444122107 1066409350 /nfs/dbraw/zinc/40/93/50/1066409350.db2.gz QYTAXOJQVCMHCE-SFHVURJKSA-N 0 0 453.535 4.788 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC001444120161 1066409510 /nfs/dbraw/zinc/40/95/10/1066409510.db2.gz QCAZVXODIHHSHV-SYYKKAFVSA-N 0 0 458.599 4.826 20 0 JJADRN CC[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H](O)c1ccccc1 ZINC001455547733 1066409467 /nfs/dbraw/zinc/40/94/67/1066409467.db2.gz QMEXRVLDSPYVJF-RBUKOAKNSA-N 0 0 455.908 4.599 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC[C@@H]2C)cc1 ZINC001361135562 1066409427 /nfs/dbraw/zinc/40/94/27/1066409427.db2.gz RZCYRVDFOFSSFU-SFTDATJTSA-N 0 0 483.657 4.730 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC001361136075 1066410249 /nfs/dbraw/zinc/41/02/49/1066410249.db2.gz KIHAJTNFANXBKW-UHFFFAOYSA-N 0 0 454.530 4.820 20 0 JJADRN O=C(NCCOC1CCCCCC1)c1cc(I)cc(C(F)(F)F)c1 ZINC001444128250 1066410277 /nfs/dbraw/zinc/41/02/77/1066410277.db2.gz ZCABBLHQPMLNKR-UHFFFAOYSA-N 0 0 455.258 4.779 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001455560237 1066410319 /nfs/dbraw/zinc/41/03/19/1066410319.db2.gz VEQVHHBCIORULV-GXTWGEPZSA-N 0 0 464.868 4.517 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001455557985 1066410359 /nfs/dbraw/zinc/41/03/59/1066410359.db2.gz FHLMNPMNYZOMAE-UHOFOFEASA-N 0 0 472.807 4.696 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361136193 1066410350 /nfs/dbraw/zinc/41/03/50/1066410350.db2.gz VUWPLHRMTCUNNH-KRWDZBQOSA-N 0 0 469.515 4.841 20 0 JJADRN O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1C(=O)N1CCC[C@@H](O)C1 ZINC001455566929 1066411929 /nfs/dbraw/zinc/41/19/29/1066411929.db2.gz CLOGRMULXHMVDU-RUZDIDTESA-N 0 0 456.586 4.714 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001455569469 1066412524 /nfs/dbraw/zinc/41/25/24/1066412524.db2.gz LWRUCVDVKDQFCI-GBAJDQEWSA-N 0 0 458.599 4.535 20 0 JJADRN CC(C)(C(=O)N1CC[C@@](CO)(C(F)(F)F)C1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001455576935 1066412528 /nfs/dbraw/zinc/41/25/28/1066412528.db2.gz QYMCVCOZSPSADT-GOSISDBHSA-N 0 0 450.885 4.654 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H]2CCc3cccc(OC)c32)cc1 ZINC001361137634 1066412935 /nfs/dbraw/zinc/41/29/35/1066412935.db2.gz FLHYSKOJZSYAJX-HXUWFJFHSA-N 0 0 451.544 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCCNC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC001455585047 1066413196 /nfs/dbraw/zinc/41/31/96/1066413196.db2.gz MSLKJPTVRTXGTQ-UHFFFAOYSA-N 0 0 454.615 4.869 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545964779 1066413269 /nfs/dbraw/zinc/41/32/69/1066413269.db2.gz JZCCKPZODFNGHR-QZTJIDSGSA-N 0 0 494.036 4.526 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1 ZINC001361138932 1066413760 /nfs/dbraw/zinc/41/37/60/1066413760.db2.gz UYOUWKLYUDGFLV-UHFFFAOYSA-N 0 0 453.516 4.702 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC001545964879 1066413933 /nfs/dbraw/zinc/41/39/33/1066413933.db2.gz LTAPDZZLEOODNN-UXHICEINSA-N 0 0 481.044 4.880 20 0 JJADRN CC/C(=C/C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccc(OC)cc1 ZINC001455598214 1066413886 /nfs/dbraw/zinc/41/38/86/1066413886.db2.gz GUYJQOXHHOVFKD-SDXDJHTJSA-N 0 0 450.514 4.554 20 0 JJADRN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)N2CCOCC2)cc1 ZINC001361139492 1066415161 /nfs/dbraw/zinc/41/51/61/1066415161.db2.gz KQUMDADFJNYWMM-BJKOFHAPSA-N 0 0 485.742 4.826 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]2CC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545964963 1066415539 /nfs/dbraw/zinc/41/55/39/1066415539.db2.gz NFNPQMNDYKLULR-NXHRZFHOSA-N 0 0 461.010 4.676 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)CO1 ZINC001455618269 1066415609 /nfs/dbraw/zinc/41/56/09/1066415609.db2.gz DCAYHUCZUNIMEG-LSDHHAIUSA-N 0 0 452.523 4.638 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1nc(-c2ccccc2)c[nH]1 ZINC001455618258 1066415737 /nfs/dbraw/zinc/41/57/37/1066415737.db2.gz ILNMPZDDRVGEJE-UHFFFAOYSA-N 0 0 452.967 4.667 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001455617514 1066415770 /nfs/dbraw/zinc/41/57/70/1066415770.db2.gz QWAVEHNFWUGXKG-UHFFFAOYSA-N 0 0 454.246 4.710 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001545964922 1066415697 /nfs/dbraw/zinc/41/56/97/1066415697.db2.gz MMFVKKPEKYYOMC-XLIONFOSSA-N 0 0 473.980 4.853 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4c(C)nccc34)cc2)cc1 ZINC001455623395 1066416445 /nfs/dbraw/zinc/41/64/45/1066416445.db2.gz ZWLNIUBIAUPGSJ-UHFFFAOYSA-N 0 0 459.527 4.799 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1)OC ZINC001545965051 1066417083 /nfs/dbraw/zinc/41/70/83/1066417083.db2.gz OUWKJMRWWDRMSW-SFHVURJKSA-N 0 0 492.020 4.623 20 0 JJADRN Cc1ccc([C@H](Cn2c(N(Cc3ccco3)C(C)C)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361140563 1066417996 /nfs/dbraw/zinc/41/79/96/1066417996.db2.gz CWGQGRNAQCWMMT-NRFANRHFSA-N 0 0 455.603 4.559 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965122 1066418133 /nfs/dbraw/zinc/41/81/33/1066418133.db2.gz QHGOXJQNBMJHKQ-HOCLYGCPSA-N 0 0 484.428 4.780 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N(Cc3ccco3)C(C)C)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361140565 1066418117 /nfs/dbraw/zinc/41/81/17/1066418117.db2.gz CWGQGRNAQCWMMT-OAQYLSRUSA-N 0 0 455.603 4.559 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001455646274 1066419041 /nfs/dbraw/zinc/41/90/41/1066419041.db2.gz CZDBPMXKJAAESW-HJPURHCSSA-N 0 0 456.514 4.989 20 0 JJADRN Cc1cccc(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1Cl ZINC001455648917 1066419493 /nfs/dbraw/zinc/41/94/93/1066419493.db2.gz ZCQFMRKKXCUPTL-UHFFFAOYSA-N 0 0 458.002 4.631 20 0 JJADRN C[C@@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455648883 1066419520 /nfs/dbraw/zinc/41/95/20/1066419520.db2.gz NWZIBOYYELBISP-DOIPELPJSA-N 0 0 481.678 4.669 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3cc(C(F)(F)F)ccn3)C[C@H]21 ZINC001546074736 1066420290 /nfs/dbraw/zinc/42/02/90/1066420290.db2.gz YWTZYQCEZJJILU-USXIJHARSA-N 0 0 455.521 4.530 20 0 JJADRN C[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1Br)n1ccc2ccccc2c1=O ZINC001455651610 1066420318 /nfs/dbraw/zinc/42/03/18/1066420318.db2.gz RCKUNVJAGVUMCG-GFCCVEGCSA-N 0 0 453.258 4.660 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001361141588 1066420954 /nfs/dbraw/zinc/42/09/54/1066420954.db2.gz QKKQUDYONPSZHA-HUUCEWRRSA-N 0 0 458.356 4.954 20 0 JJADRN Cc1ccc([C@H](Cn2c(N(CCC(C)C)C3CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361141379 1066420967 /nfs/dbraw/zinc/42/09/67/1066420967.db2.gz MIBKFVFXKAGXHF-DEOSSOPVSA-N 0 0 453.675 4.972 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1CC ZINC001455652194 1066420879 /nfs/dbraw/zinc/42/08/79/1066420879.db2.gz SOUMOARVNUSHMR-WEBUEUPWSA-N 0 0 468.978 4.757 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001455660092 1066420984 /nfs/dbraw/zinc/42/09/84/1066420984.db2.gz CVHVKIOMIUHUKK-LENZSSGSSA-N 0 0 456.384 4.980 20 0 JJADRN CCOC(=O)Cc1csc(CNC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n1 ZINC001455668227 1066421878 /nfs/dbraw/zinc/42/18/78/1066421878.db2.gz XIYXNQNVFOGKJV-RGVLZGJSSA-N 0 0 458.942 4.898 20 0 JJADRN CNC(=O)N[C@@H]1CCCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)C1 ZINC001455672816 1066422567 /nfs/dbraw/zinc/42/25/67/1066422567.db2.gz PAJZGEIAWTXONS-GOSISDBHSA-N 0 0 452.407 4.819 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001455671568 1066422658 /nfs/dbraw/zinc/42/26/58/1066422658.db2.gz ZNRXHAPNBBVTFX-HNNXBMFYSA-N 0 0 458.331 4.977 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Oc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC001361142186 1066423576 /nfs/dbraw/zinc/42/35/76/1066423576.db2.gz ZRIWEXYPZYTSNP-UHFFFAOYSA-N 0 0 450.882 4.533 20 0 JJADRN CCO[C@@H](CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)C(C)C ZINC001444168043 1066424241 /nfs/dbraw/zinc/42/42/41/1066424241.db2.gz FKRCVZOAKGHQDB-ROUUACIJSA-N 0 0 450.377 4.538 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@@H](C)c3ccc(F)cc3F)cc2)c1 ZINC001361142827 1066424185 /nfs/dbraw/zinc/42/41/85/1066424185.db2.gz HXGGDQHTJIFNOF-MRXNPFEDSA-N 0 0 454.473 4.524 20 0 JJADRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001455690943 1066424301 /nfs/dbraw/zinc/42/43/01/1066424301.db2.gz YEVWBHBGFVUXJX-LBPRGKRZSA-N 0 0 451.379 4.788 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001444169703 1066424721 /nfs/dbraw/zinc/42/47/21/1066424721.db2.gz NJMRAVXZSSBNNH-UHFFFAOYSA-N 0 0 456.329 4.999 20 0 JJADRN CC(C)(C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1nccs1 ZINC001444169429 1066424889 /nfs/dbraw/zinc/42/48/89/1066424889.db2.gz ZCKNHSYEHNCQJV-UHFFFAOYSA-N 0 0 458.381 4.752 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001444169889 1066424895 /nfs/dbraw/zinc/42/48/95/1066424895.db2.gz FSAOJCNEBKGGIL-CQSZACIVSA-N 0 0 455.584 4.998 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001455702706 1066424989 /nfs/dbraw/zinc/42/49/89/1066424989.db2.gz ZNZIUEJXDGFITD-SFTDATJTSA-N 0 0 452.352 4.580 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)c1cc(F)c(Br)cc1F)CC2 ZINC001455714145 1066425542 /nfs/dbraw/zinc/42/55/42/1066425542.db2.gz AUMGRFCWXNRFMP-FQEVSTJZSA-N 0 0 452.295 4.894 20 0 JJADRN CC[C@H](Cc1ccccc1)NC(=O)c1ccc(I)c(Br)c1 ZINC001361144100 1066425473 /nfs/dbraw/zinc/42/54/73/1066425473.db2.gz HYOKCBQVAQPLPA-CQSZACIVSA-N 0 0 458.137 4.805 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCNC(=O)c2ccco2)c1 ZINC001361143946 1066425536 /nfs/dbraw/zinc/42/55/36/1066425536.db2.gz AUYVDXXDXJMKGM-RXVVDRJESA-N 0 0 465.598 4.512 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC001444171269 1066425632 /nfs/dbraw/zinc/42/56/32/1066425632.db2.gz QGRDZOUTHODVGZ-UXHICEINSA-N 0 0 458.628 4.653 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545965477 1066426397 /nfs/dbraw/zinc/42/63/97/1066426397.db2.gz YJVRCGIABRFSRN-FUHWJXTLSA-N 0 0 454.949 4.904 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)CCc1cc(Br)cs1)CC2 ZINC001455717468 1066426715 /nfs/dbraw/zinc/42/67/15/1066426715.db2.gz SWFUBXFUHONWFS-OAQYLSRUSA-N 0 0 450.398 4.996 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361144617 1066426802 /nfs/dbraw/zinc/42/68/02/1066426802.db2.gz KDTDGLNKBCBYQO-QHCPKHFHSA-N 0 0 496.700 4.723 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001361144847 1066426883 /nfs/dbraw/zinc/42/68/83/1066426883.db2.gz MQTKHSQUVPSDPM-UHFFFAOYSA-N 0 0 496.700 4.677 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@]2(O)CCSC2)c1 ZINC001361145453 1066427944 /nfs/dbraw/zinc/42/79/44/1066427944.db2.gz YHRONZIQMCAELZ-JPYJTQIMSA-N 0 0 458.653 4.601 20 0 JJADRN C[C@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)c1nc2ccccc2s1 ZINC001444200582 1066427900 /nfs/dbraw/zinc/42/79/00/1066427900.db2.gz NPIDTUMBYVIEHV-AWEZNQCLSA-N 0 0 456.568 4.890 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546075851 1066428427 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CCOC(=O)[C@@H](CSC)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC001455782307 1066430696 /nfs/dbraw/zinc/43/06/96/1066430696.db2.gz WBPBLWGJTTUVMA-OAHLLOKOSA-N 0 0 450.607 4.515 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)CCC1 ZINC001546076042 1066430968 /nfs/dbraw/zinc/43/09/68/1066430968.db2.gz BPYYIJOTZODWKB-UHFFFAOYSA-N 0 0 451.405 4.825 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc4c(c3)N[C@H](C)CC(=O)N4)s2)cc1 ZINC001444215472 1066430790 /nfs/dbraw/zinc/43/07/90/1066430790.db2.gz LUIPOCSXIQWPDE-ZIAGYGMSSA-N 0 0 450.564 4.761 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2CCCCO2)c1 ZINC001361145970 1066430849 /nfs/dbraw/zinc/43/08/49/1066430849.db2.gz NYYRDLHHIPGZGW-VQTJNVASSA-N 0 0 455.628 4.739 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361146145 1066431710 /nfs/dbraw/zinc/43/17/10/1066431710.db2.gz UEVCJAPOTPLOOQ-UQBPGWFLSA-N 0 0 470.017 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)c1 ZINC001361146077 1066431723 /nfs/dbraw/zinc/43/17/23/1066431723.db2.gz RFFYXGVYIRZSIT-UHFFFAOYSA-N 0 0 459.598 4.585 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545965440 1066431802 /nfs/dbraw/zinc/43/18/02/1066431802.db2.gz XULYHINNWJPEAY-KBAYOESNSA-N 0 0 463.026 4.922 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)CCC(=O)c1cccs1 ZINC001455790903 1066431742 /nfs/dbraw/zinc/43/17/42/1066431742.db2.gz DZZYSEWOZLNAGI-UHFFFAOYSA-N 0 0 450.988 4.918 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC001361148111 1066432841 /nfs/dbraw/zinc/43/28/41/1066432841.db2.gz ADXBREUNYFDCRD-IBGZPJMESA-N 0 0 498.628 4.662 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1F ZINC001361147155 1066432879 /nfs/dbraw/zinc/43/28/79/1066432879.db2.gz WCSPHNBDCWAPQM-MRXNPFEDSA-N 0 0 450.466 4.552 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)CC2 ZINC001455796322 1066433006 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GKRTYRGMLVETBO-UHFFFAOYSA-N 0 0 459.171 4.786 20 0 JJADRN COc1cccc(N(CC(=O)NCCOc2cccc(C(C)(C)C)c2)C(=O)OC(C)(C)C)c1 ZINC001444246795 1066433854 /nfs/dbraw/zinc/43/38/54/1066433854.db2.gz NSUKIXZQRWCDGB-UHFFFAOYSA-N 0 0 456.583 4.929 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361148286 1066434292 /nfs/dbraw/zinc/43/42/92/1066434292.db2.gz GFNQZRFRLIQHFK-QFIPXVFZSA-N 0 0 483.657 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361148400 1066434390 /nfs/dbraw/zinc/43/43/90/1066434390.db2.gz JNCGUORXFJZRFY-HXUWFJFHSA-N 0 0 487.551 4.524 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001444248683 1066434502 /nfs/dbraw/zinc/43/45/02/1066434502.db2.gz PFONIYMEQXUPNK-KRWDZBQOSA-N 0 0 453.421 4.842 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809958 1066435363 /nfs/dbraw/zinc/43/53/63/1066435363.db2.gz RLMCSMGAZSGEKC-CDHQVMDDSA-N 0 0 452.904 4.728 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccco3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361148495 1066435184 /nfs/dbraw/zinc/43/51/84/1066435184.db2.gz MRQBOEFZWOSLOR-LJQANCHMSA-N 0 0 469.586 4.617 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361148562 1066435295 /nfs/dbraw/zinc/43/52/95/1066435295.db2.gz OXKUKIWVBDAVPZ-AUSIDOKSSA-N 0 0 455.628 4.628 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCOc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444250502 1066435180 /nfs/dbraw/zinc/43/51/80/1066435180.db2.gz XUCDHSUONORUDY-RUZDIDTESA-N 0 0 455.551 4.521 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C(=O)OC)c2ccccc2)cc1 ZINC001444251548 1066435292 /nfs/dbraw/zinc/43/52/92/1066435292.db2.gz AWIWUMOWXJFRHH-DEOSSOPVSA-N 0 0 453.542 4.788 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001444250079 1066435378 /nfs/dbraw/zinc/43/53/78/1066435378.db2.gz VAQQOCCAOIQURQ-QFBILLFUSA-N 0 0 457.546 4.946 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CCc2ccccc21 ZINC001444252344 1066435841 /nfs/dbraw/zinc/43/58/41/1066435841.db2.gz JCUNWMFBXKXOBA-HSZRJFAPSA-N 0 0 457.452 4.539 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCSCC(F)(F)F)c1 ZINC001361148708 1066436746 /nfs/dbraw/zinc/43/67/46/1066436746.db2.gz UCKPGQKIEHNPAR-SFHVURJKSA-N 0 0 472.577 4.632 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)cc1 ZINC001444256527 1066436774 /nfs/dbraw/zinc/43/67/74/1066436774.db2.gz AHMGMKWDICSLHJ-SANMLTNESA-N 0 0 458.606 4.985 20 0 JJADRN O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444258281 1066436803 /nfs/dbraw/zinc/43/68/03/1066436803.db2.gz DWRQIFAYRTUUGT-LJQANCHMSA-N 0 0 452.308 4.628 20 0 JJADRN CCC(=O)N[C@@H](CCSC)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001444258073 1066436864 /nfs/dbraw/zinc/43/68/64/1066436864.db2.gz GVHUOFAUPDHCLJ-KRWDZBQOSA-N 0 0 455.502 4.503 20 0 JJADRN Cc1ccccc1[C@H](CO)N(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001455819965 1066437547 /nfs/dbraw/zinc/43/75/47/1066437547.db2.gz FZALROQGBIHBLN-INIZCTEOSA-N 0 0 451.411 4.677 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001444260286 1066437769 /nfs/dbraw/zinc/43/77/69/1066437769.db2.gz KDVHDXHYMSWKRE-KRWDZBQOSA-N 0 0 459.612 4.763 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361149205 1066438739 /nfs/dbraw/zinc/43/87/39/1066438739.db2.gz MLFUDMBIJZBUAZ-QFIPXVFZSA-N 0 0 454.537 4.804 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001455822802 1066438722 /nfs/dbraw/zinc/43/87/22/1066438722.db2.gz DLXHOCHIOBCLQF-ORAYPTAESA-N 0 0 454.398 4.823 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2cnn3ccccc23)c1 ZINC001361149125 1066438790 /nfs/dbraw/zinc/43/87/90/1066438790.db2.gz JGDPACRHVONUIH-UHFFFAOYSA-N 0 0 458.488 4.559 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@H]2OCCC2(C)C)c1 ZINC001361149328 1066439402 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JJADRN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(CCc2ccccc2)CC1 ZINC001455856418 1066442027 /nfs/dbraw/zinc/44/20/27/1066442027.db2.gz ZVQYYLVBRJDLDL-HXUWFJFHSA-N 0 0 455.396 4.673 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361151267 1066442056 /nfs/dbraw/zinc/44/20/56/1066442056.db2.gz GCUSEAPLJBSWKJ-OAQYLSRUSA-N 0 0 467.614 4.640 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361151246 1066442067 /nfs/dbraw/zinc/44/20/67/1066442067.db2.gz FUZSQBOVTRWQIK-MOPGFXCFSA-N 0 0 467.614 4.886 20 0 JJADRN COc1cc2c(cc1O)CCN(C(=O)c1cc(Oc3cccc(Br)c3)ccn1)C2 ZINC001455859504 1066442662 /nfs/dbraw/zinc/44/26/62/1066442662.db2.gz NZGUAWRHTHLYTK-UHFFFAOYSA-N 0 0 455.308 4.549 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)C2)c1 ZINC001444277062 1066442663 /nfs/dbraw/zinc/44/26/63/1066442663.db2.gz IAWSNMGZOWNRHQ-HXUWFJFHSA-N 0 0 456.424 4.984 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C12CCC2 ZINC001444277612 1066442689 /nfs/dbraw/zinc/44/26/89/1066442689.db2.gz HVMYZHBTTCCDEZ-WOJBJXKFSA-N 0 0 457.368 4.779 20 0 JJADRN COc1cc2c(cc1O)CCN(C(=O)c1ccc(OCc3ccccc3Cl)c(OC)c1)C2 ZINC001455864344 1066442704 /nfs/dbraw/zinc/44/27/04/1066442704.db2.gz JHKZYQZJODTIRA-UHFFFAOYSA-N 0 0 453.922 4.840 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccc(F)cc1F ZINC001455869689 1066443301 /nfs/dbraw/zinc/44/33/01/1066443301.db2.gz KIQLQDZGGXVZLH-OPAMFIHVSA-N 0 0 454.473 4.924 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444287490 1066443466 /nfs/dbraw/zinc/44/34/66/1066443466.db2.gz WWWQXOWOLNYZOQ-UHFFFAOYSA-N 0 0 458.440 4.611 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361151656 1066443890 /nfs/dbraw/zinc/44/38/90/1066443890.db2.gz CXOGHSQZTLUILE-HXUWFJFHSA-N 0 0 476.687 4.560 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)NC4CCCC4)CC3)n2CC(C)C)c1 ZINC001361151677 1066443903 /nfs/dbraw/zinc/44/39/03/1066443903.db2.gz DGQBIGURZCMLPA-UHFFFAOYSA-N 0 0 467.658 4.795 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001444290128 1066443934 /nfs/dbraw/zinc/44/39/34/1066443934.db2.gz PEMVDHUHVAJGHM-UHFFFAOYSA-N 0 0 457.452 4.827 20 0 JJADRN CO[C@@H](C)CN(C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001444291878 1066444006 /nfs/dbraw/zinc/44/40/06/1066444006.db2.gz GFHZKHFMBPSFIB-JKSUJKDBSA-N 0 0 459.637 4.958 20 0 JJADRN O=C([C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455870391 1066444024 /nfs/dbraw/zinc/44/40/24/1066444024.db2.gz HOUULHKLMAQNLL-IXDGSTSKSA-N 0 0 451.316 4.558 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3Cc4ccoc4CC(C)(C)C3)n2CCC(=O)NC(C)C)c1 ZINC001361151793 1066444741 /nfs/dbraw/zinc/44/47/41/1066444741.db2.gz MJBZONWTHVNIKN-UHFFFAOYSA-N 0 0 479.625 4.571 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2COCc2ccccc2)C[C@H]1C(F)(F)F ZINC001455876702 1066444651 /nfs/dbraw/zinc/44/46/51/1066444651.db2.gz JCKAQCQBNWZFIT-NHCUHLMSSA-N 0 0 478.511 4.931 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)C[C@H]1C(F)(F)F ZINC001455875568 1066444783 /nfs/dbraw/zinc/44/47/83/1066444783.db2.gz FRBTZGUVCLIDSE-PJVUMNMVSA-N 0 0 452.448 4.906 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N2CCC(c3ccccc3F)CC2)[C@H]1c1ccc(OC)cc1 ZINC001444300113 1066445319 /nfs/dbraw/zinc/44/53/19/1066445319.db2.gz OPCDLWVYANGDRX-ZEQKJWHPSA-N 0 0 452.570 4.930 20 0 JJADRN COC(=O)C[C@@H]1CN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C[C@H]1C ZINC001455880781 1066445437 /nfs/dbraw/zinc/44/54/37/1066445437.db2.gz KLUWBZXWNLUSAX-TZMCWYRMSA-N 0 0 467.747 4.561 20 0 JJADRN COc1ccc(CNC(=O)/C=C\C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC001444305908 1066445973 /nfs/dbraw/zinc/44/59/73/1066445973.db2.gz YSFMNXNMLGSMHR-YPKPFQOOSA-N 0 0 450.922 4.739 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545966688 1066446068 /nfs/dbraw/zinc/44/60/68/1066446068.db2.gz IPWKGTOTALUIMQ-GOSISDBHSA-N 0 0 486.642 4.658 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361152402 1066446050 /nfs/dbraw/zinc/44/60/50/1066446050.db2.gz SRFQAUATTRCLJX-SBHAEUEKSA-N 0 0 479.591 4.840 20 0 JJADRN Cc1c(I)cccc1C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001455887435 1066446089 /nfs/dbraw/zinc/44/60/89/1066446089.db2.gz SNIBNNTWHHYJRF-CYBMUJFWSA-N 0 0 452.361 4.565 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCSC(C)C)c1 ZINC001361152424 1066446625 /nfs/dbraw/zinc/44/66/25/1066446625.db2.gz SZMQSSNCDVFSLT-OAQYLSRUSA-N 0 0 458.672 4.747 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545966758 1066446733 /nfs/dbraw/zinc/44/67/33/1066446733.db2.gz KBPYRZBNYAXKQC-AZUAARDMSA-N 0 0 490.574 4.629 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(C(=O)[C@H](C)c3ccc(I)cc3)C2)n1 ZINC001455888972 1066446759 /nfs/dbraw/zinc/44/67/59/1066446759.db2.gz OYLKPKAJDLJUOF-CABCVRRESA-N 0 0 454.377 4.641 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@@H](F)C2)c1 ZINC001361152884 1066447098 /nfs/dbraw/zinc/44/70/98/1066447098.db2.gz XUFOAUOWKMSWIC-XFKSJGNHSA-N 0 0 470.511 4.768 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCCCS(C)(=O)=O)c1 ZINC001361152704 1066447307 /nfs/dbraw/zinc/44/73/07/1066447307.db2.gz PIHFABTUWYBMQM-OAQYLSRUSA-N 0 0 476.687 4.561 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444316442 1066447206 /nfs/dbraw/zinc/44/72/06/1066447206.db2.gz CCDMLXFKUQAWBV-ZRNHHAHNSA-N 0 0 499.652 4.574 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC001444318466 1066447269 /nfs/dbraw/zinc/44/72/69/1066447269.db2.gz ISNFDKFPFMDORK-XPWALMASSA-N 0 0 458.986 4.802 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)CSc1nccn1-c1ccc(C(C)C)cc1 ZINC001455897641 1066447380 /nfs/dbraw/zinc/44/73/80/1066447380.db2.gz VNSARELYNCMVCZ-UHFFFAOYSA-N 0 0 453.564 4.912 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)ccc1Cl ZINC001455895754 1066447446 /nfs/dbraw/zinc/44/74/46/1066447446.db2.gz JKKVKNWMDOVUTG-UHFFFAOYSA-N 0 0 459.377 4.686 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@]2(C)CCCS2)c1 ZINC001361152847 1066447348 /nfs/dbraw/zinc/44/73/48/1066447348.db2.gz XJAPONVRIJCHRK-LRXVAGHRSA-N 0 0 484.588 4.916 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CCSCC(C)C)c1 ZINC001361152977 1066447838 /nfs/dbraw/zinc/44/78/38/1066447838.db2.gz YIHUPLNCOYKEBO-ATIYNZHBSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)cc1OCc1csc(Br)c1 ZINC001455901260 1066447908 /nfs/dbraw/zinc/44/79/08/1066447908.db2.gz YPFGRDLYFFFEPP-WIYYLYMNSA-N 0 0 450.398 4.775 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC001361153017 1066448003 /nfs/dbraw/zinc/44/80/03/1066448003.db2.gz UORANUFPPISUPK-PMACEKPBSA-N 0 0 493.574 4.544 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001546077383 1066448082 /nfs/dbraw/zinc/44/80/82/1066448082.db2.gz NJXBNCHJFWDLSG-HFZDXXHNSA-N 0 0 488.698 4.883 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361153130 1066448544 /nfs/dbraw/zinc/44/85/44/1066448544.db2.gz VNSHHFBBFBGZQS-CTNGQTDRSA-N 0 0 471.646 4.966 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361153122 1066448575 /nfs/dbraw/zinc/44/85/75/1066448575.db2.gz VGBDURBURWMAET-CQOQZXRMSA-N 0 0 499.675 4.989 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001444322303 1066448660 /nfs/dbraw/zinc/44/86/60/1066448660.db2.gz YGEWZMZTIRCDTH-UHFFFAOYSA-N 0 0 456.167 4.549 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Br)c3ccccc3c1)CC2 ZINC001455907024 1066448699 /nfs/dbraw/zinc/44/86/99/1066448699.db2.gz WJMQMFPTXICSIC-UHFFFAOYSA-N 0 0 455.352 4.616 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361153126 1066448705 /nfs/dbraw/zinc/44/87/05/1066448705.db2.gz VHCUAXVXXWMOAE-MORLXBONSA-N 0 0 493.574 4.544 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 ZINC001444323037 1066448756 /nfs/dbraw/zinc/44/87/56/1066448756.db2.gz OYVBFDOYDFHEDA-UHFFFAOYSA-N 0 0 457.552 4.665 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 ZINC001444323459 1066448788 /nfs/dbraw/zinc/44/87/88/1066448788.db2.gz QEZUROAJEALEBM-UHFFFAOYSA-N 0 0 450.358 4.725 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C(=O)CCCCCS(N)(=O)=O ZINC001455903819 1066448781 /nfs/dbraw/zinc/44/87/81/1066448781.db2.gz NEWQSAJUGUHQTD-UHFFFAOYSA-N 0 0 459.395 4.593 20 0 JJADRN Cc1cc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)ccc1OC1CCOCC1 ZINC001444321259 1066448831 /nfs/dbraw/zinc/44/88/31/1066448831.db2.gz UYGAOTCRUUQFCW-UHFFFAOYSA-N 0 0 458.971 4.518 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361153372 1066449249 /nfs/dbraw/zinc/44/92/49/1066449249.db2.gz YLJVOAKKWPPNNQ-PZJWPPBQSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361153295 1066449309 /nfs/dbraw/zinc/44/93/09/1066449309.db2.gz XCGWPWAUWIEXPW-MQFAKOPTSA-N 0 0 460.688 4.894 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(C)C)CC3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361153458 1066450030 /nfs/dbraw/zinc/45/00/30/1066450030.db2.gz ZVCYCADBNNVMSN-UHFFFAOYSA-N 0 0 488.698 4.704 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H](CO)CCc3ccccc3)cc12 ZINC001455912445 1066450129 /nfs/dbraw/zinc/45/01/29/1066450129.db2.gz GEATVRWJFSYKSE-LJQANCHMSA-N 0 0 453.995 4.831 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361153404 1066450082 /nfs/dbraw/zinc/45/00/82/1066450082.db2.gz ZKYSFTHYPVRAJE-RBBKRZOGSA-N 0 0 495.624 4.855 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(F)cc2NC(=O)c2ccc(OC)cc2)c1 ZINC001444327658 1066450119 /nfs/dbraw/zinc/45/01/19/1066450119.db2.gz ZOPKNJWKZZBQFX-UHFFFAOYSA-N 0 0 456.857 4.779 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CC=CCC2)c1 ZINC001361154537 1066451216 /nfs/dbraw/zinc/45/12/16/1066451216.db2.gz BYZPDJSWCKBNQB-IBGZPJMESA-N 0 0 464.532 4.724 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCO[C@@H]2CCOC2)c1 ZINC001361154550 1066451226 /nfs/dbraw/zinc/45/12/26/1066451226.db2.gz CQLDBDJBAWGBQK-GOSISDBHSA-N 0 0 481.424 4.569 20 0 JJADRN C[C@H](NC(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C)c1cccc(SC(F)(F)F)c1 ZINC001455916090 1066451283 /nfs/dbraw/zinc/45/12/83/1066451283.db2.gz PGLYVBOTXBIRCP-LBPRGKRZSA-N 0 0 458.506 4.548 20 0 JJADRN O=C(/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ncnc3ccsc32)CC1 ZINC001444345602 1066452574 /nfs/dbraw/zinc/45/25/74/1066452574.db2.gz WOGYJFURBPVLBX-GDNBJRDFSA-N 0 0 454.424 4.508 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCCC2(C)C)c1 ZINC001361154986 1066452502 /nfs/dbraw/zinc/45/25/02/1066452502.db2.gz IDZGELRIRHWJGX-JOCHJYFZSA-N 0 0 467.658 4.782 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC2CC2)c1 ZINC001361155058 1066452507 /nfs/dbraw/zinc/45/25/07/1066452507.db2.gz KAHIWDUHSLGAOW-UHFFFAOYSA-N 0 0 469.630 4.625 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)c1 ZINC001361155078 1066452516 /nfs/dbraw/zinc/45/25/16/1066452516.db2.gz KOHKOKSKQLUYTJ-HXUWFJFHSA-N 0 0 469.630 4.768 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CCC2(C)CC2)c1 ZINC001361155087 1066452601 /nfs/dbraw/zinc/45/26/01/1066452601.db2.gz KSISUQJZZFUIKR-UHFFFAOYSA-N 0 0 493.574 4.559 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)[C@H]1CCc2nccn2C1 ZINC001455930696 1066452950 /nfs/dbraw/zinc/45/29/50/1066452950.db2.gz VTHSSJUWSNOWPX-HNNXBMFYSA-N 0 0 458.331 4.798 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CC=CCO2)c1 ZINC001361155303 1066453588 /nfs/dbraw/zinc/45/35/88/1066453588.db2.gz AJQXNHYWAWBOSS-OALUTQOASA-N 0 0 450.505 4.598 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546077698 1066453794 /nfs/dbraw/zinc/45/37/94/1066453794.db2.gz UJQABFGYLKKQDF-XMMPIXPASA-N 0 0 477.600 4.850 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)[C@@H]1CCc2nccn2C1 ZINC001455930814 1066453842 /nfs/dbraw/zinc/45/38/42/1066453842.db2.gz WHRPWFKGANDLQD-MRXNPFEDSA-N 0 0 458.331 4.798 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)N(C)C(=O)OC(C)(C)C ZINC001455932304 1066453930 /nfs/dbraw/zinc/45/39/30/1066453930.db2.gz JOAGFVOTZNPPIS-BBRMVZONSA-N 0 0 453.377 4.567 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2F)c1 ZINC001444358238 1066454387 /nfs/dbraw/zinc/45/43/87/1066454387.db2.gz LQNOFSWOODTFLY-XMMPIXPASA-N 0 0 458.493 4.926 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)c2ccc(OC)cc2)C1 ZINC001546077729 1066455262 /nfs/dbraw/zinc/45/52/62/1066455262.db2.gz UTSQLPDYFTXHRN-AFMDSPMNSA-N 0 0 450.631 4.969 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CCCC(C)(C)C)c1 ZINC001361155791 1066455621 /nfs/dbraw/zinc/45/56/21/1066455621.db2.gz GNQMMGXEKYPXTO-NRFANRHFSA-N 0 0 451.619 4.733 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361155738 1066455696 /nfs/dbraw/zinc/45/56/96/1066455696.db2.gz FVSHKUGPSPKDOU-FQEVSTJZSA-N 0 0 479.591 4.985 20 0 JJADRN CO[C@@H]1CCCN(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)C1 ZINC001455937102 1066455726 /nfs/dbraw/zinc/45/57/26/1066455726.db2.gz CRQVKSXVSWVJLI-OAHLLOKOSA-N 0 0 453.395 4.517 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CC1 ZINC001455936739 1066455735 /nfs/dbraw/zinc/45/57/35/1066455735.db2.gz ATBTWZLLFALWJV-SFHVURJKSA-N 0 0 458.599 4.889 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C ZINC001545966967 1066455996 /nfs/dbraw/zinc/45/59/96/1066455996.db2.gz NLMGDAWMHWTPEZ-LJQANCHMSA-N 0 0 473.618 4.646 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361155809 1066456351 /nfs/dbraw/zinc/45/63/51/1066456351.db2.gz GUTLLIISCLIUCH-KOSHJBKYSA-N 0 0 476.593 4.925 20 0 JJADRN CC(C)Oc1cc(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)ccc1Br ZINC001455939163 1066456483 /nfs/dbraw/zinc/45/64/83/1066456483.db2.gz BMGWOSKUEZLGMM-UHFFFAOYSA-N 0 0 457.290 4.874 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361156188 1066457468 /nfs/dbraw/zinc/45/74/68/1066457468.db2.gz PUHDIGNLHKRZKC-IBGZPJMESA-N 0 0 495.590 4.803 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 ZINC001455946782 1066457612 /nfs/dbraw/zinc/45/76/12/1066457612.db2.gz BXGUEUBTCAHWOV-KSFYIVLOSA-N 0 0 458.521 4.712 20 0 JJADRN CCCCN(C)c1ccc(C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455947751 1066457728 /nfs/dbraw/zinc/45/77/28/1066457728.db2.gz BTFXAYDSIWHMOW-JOCHJYFZSA-N 0 0 457.537 4.985 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156217 1066458097 /nfs/dbraw/zinc/45/80/97/1066458097.db2.gz QIGKMXSADOCBDT-RXVVDRJESA-N 0 0 479.591 4.985 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444401908 1066458129 /nfs/dbraw/zinc/45/81/29/1066458129.db2.gz JHOWPPUEXPTZCI-IUDNXUCKSA-N 0 0 457.384 4.719 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361156368 1066458858 /nfs/dbraw/zinc/45/88/58/1066458858.db2.gz TZLVPFPCWNMZCP-SFHVURJKSA-N 0 0 489.533 4.840 20 0 JJADRN Cc1noc([C@@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCCC(F)(F)F)C2)n1 ZINC001361156361 1066458938 /nfs/dbraw/zinc/45/89/38/1066458938.db2.gz TUJVPJPPFVYFJL-GOSISDBHSA-N 0 0 478.519 4.892 20 0 JJADRN O=C(CCSc1ccccc1Br)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001444403034 1066458894 /nfs/dbraw/zinc/45/88/94/1066458894.db2.gz MRVXAEYVLCFDBN-UHFFFAOYSA-N 0 0 456.409 4.828 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156575 1066459264 /nfs/dbraw/zinc/45/92/64/1066459264.db2.gz YTNYZFAGMXUMHH-ICSRJNTNSA-N 0 0 465.564 4.594 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001361156449 1066459311 /nfs/dbraw/zinc/45/93/11/1066459311.db2.gz VROVVNAWJDWOGQ-WOJBJXKFSA-N 0 0 478.584 4.682 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156576 1066459380 /nfs/dbraw/zinc/45/93/80/1066459380.db2.gz YTNYZFAGMXUMHH-QUCCMNQESA-N 0 0 465.564 4.594 20 0 JJADRN COc1cc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc(Cl)c1OCC(C)C ZINC001444405463 1066459338 /nfs/dbraw/zinc/45/93/38/1066459338.db2.gz RLDDYZGDDPOZNN-UHFFFAOYSA-N 0 0 453.970 4.894 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455955889 1066459813 /nfs/dbraw/zinc/45/98/13/1066459813.db2.gz LMSFPECJNRTQGB-QHCPKHFHSA-N 0 0 454.364 4.995 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967090 1066460186 /nfs/dbraw/zinc/46/01/86/1066460186.db2.gz PQXKGOLRGBOGCZ-QUCCMNQESA-N 0 0 487.645 4.892 20 0 JJADRN C[C@@H](OC(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1nc2ccc(Cl)cc2n1C ZINC001361157660 1066460515 /nfs/dbraw/zinc/46/05/15/1066460515.db2.gz VRVZHQXGQNCOPT-CHWSQXEVSA-N 0 0 456.955 4.802 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c(C)cc(CO)cc2C)c1 ZINC001455959670 1066460704 /nfs/dbraw/zinc/46/07/04/1066460704.db2.gz GXYWXKDIIHNMJF-UHFFFAOYSA-N 0 0 455.558 4.646 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1F ZINC001444416367 1066460722 /nfs/dbraw/zinc/46/07/22/1066460722.db2.gz ZTEIUOCFRSLYMT-LJQANCHMSA-N 0 0 458.433 4.566 20 0 JJADRN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC001455960720 1066461185 /nfs/dbraw/zinc/46/11/85/1066461185.db2.gz LJLNHCZSJQVTKL-NRFANRHFSA-N 0 0 456.542 4.633 20 0 JJADRN CN(C(=O)CCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158124 1066461234 /nfs/dbraw/zinc/46/12/34/1066461234.db2.gz MJNKELHHZIHHMW-MRXNPFEDSA-N 0 0 450.004 4.838 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(COc3cc(C)ccc3C)n2CCC(C)(C)O)cs1 ZINC001361158458 1066461384 /nfs/dbraw/zinc/46/13/84/1066461384.db2.gz BNPAUFDWIZYHJY-HXUWFJFHSA-N 0 0 455.628 4.741 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCCN(C)CC(F)(F)F)c1 ZINC001361158923 1066461724 /nfs/dbraw/zinc/46/17/24/1066461724.db2.gz IQHIUEKRWVXNGX-UXHICEINSA-N 0 0 465.564 4.737 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(COc3cc(C)ccc3C)n2CCOCC(F)F)o1 ZINC001361158927 1066461768 /nfs/dbraw/zinc/46/17/68/1066461768.db2.gz IRXBQUHRONZWPQ-LJQANCHMSA-N 0 0 460.525 4.999 20 0 JJADRN CCOC(Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cn1)OCC ZINC001455964940 1066462509 /nfs/dbraw/zinc/46/25/09/1066462509.db2.gz DNEZGBKOPCBLHF-INIZCTEOSA-N 0 0 454.276 4.622 20 0 JJADRN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001455966760 1066462531 /nfs/dbraw/zinc/46/25/31/1066462531.db2.gz HTDVJXUINIWAIH-UHFFFAOYSA-N 0 0 456.424 4.694 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001361158947 1066462683 /nfs/dbraw/zinc/46/26/83/1066462683.db2.gz JSYUSEBTIFOFHF-JIPXPUAJSA-N 0 0 499.656 4.537 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001444461662 1066462736 /nfs/dbraw/zinc/46/27/36/1066462736.db2.gz VCNLWCJAFQUAGL-UHFFFAOYSA-N 0 0 452.982 4.930 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361159117 1066463213 /nfs/dbraw/zinc/46/32/13/1066463213.db2.gz PESSGXANRUGCQU-TZIWHRDSSA-N 0 0 479.591 4.985 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001444468796 1066463337 /nfs/dbraw/zinc/46/33/37/1066463337.db2.gz WUVTVWDJQVQVRZ-SIKLNZKXSA-N 0 0 455.599 4.611 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC2(CC(C)C)CC2)c1 ZINC001361159440 1066463833 /nfs/dbraw/zinc/46/38/33/1066463833.db2.gz ZFJGGHUOVIQUPR-UHFFFAOYSA-N 0 0 467.658 4.605 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)c3cccc(C)c3)cc2)cc1 ZINC001444471922 1066463841 /nfs/dbraw/zinc/46/38/41/1066463841.db2.gz YSIKKPYDHNHVMA-UHFFFAOYSA-N 0 0 452.576 4.860 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc(OCc2cccnc2)c(OC)c1 ZINC001444471134 1066464068 /nfs/dbraw/zinc/46/40/68/1066464068.db2.gz USFHYMAMQBITEL-SFHVURJKSA-N 0 0 459.550 4.623 20 0 JJADRN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)sc2n1 ZINC001455977036 1066465108 /nfs/dbraw/zinc/46/51/08/1066465108.db2.gz LOJIIUIAZPXEML-UHFFFAOYSA-N 0 0 452.561 4.670 20 0 JJADRN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)sc2n1 ZINC001455976824 1066465232 /nfs/dbraw/zinc/46/52/32/1066465232.db2.gz JIUKBCGKINCXPL-UHFFFAOYSA-N 0 0 452.561 4.670 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(SC)cc1OC ZINC001444477310 1066465216 /nfs/dbraw/zinc/46/52/16/1066465216.db2.gz BKYUZXKMSFNKSV-RUZDIDTESA-N 0 0 459.608 4.799 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361159852 1066465246 /nfs/dbraw/zinc/46/52/46/1066465246.db2.gz MQPQKISYAFANML-IFMALSPDSA-N 0 0 483.657 4.967 20 0 JJADRN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1cc(Br)ccc1Br ZINC001455975657 1066465282 /nfs/dbraw/zinc/46/52/82/1066465282.db2.gz YCMVDIADVCLEGD-UHFFFAOYSA-N 0 0 453.130 4.667 20 0 JJADRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(Cl)ncc1Br ZINC001455981708 1066465757 /nfs/dbraw/zinc/46/57/57/1066465757.db2.gz JBXTWJJBBITGFT-UHFFFAOYSA-N 0 0 456.683 4.550 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c(SC)cc1OC ZINC001444487519 1066465938 /nfs/dbraw/zinc/46/59/38/1066465938.db2.gz OFEHPNPXQPROIT-UHFFFAOYSA-N 0 0 455.580 4.868 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)co1 ZINC001455980244 1066465897 /nfs/dbraw/zinc/46/58/97/1066465897.db2.gz GMLDJXIEQFYABI-SEYXRHQNSA-N 0 0 458.470 4.687 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCCC(C)C)c1 ZINC001361160191 1066466495 /nfs/dbraw/zinc/46/64/95/1066466495.db2.gz UYOZQLWPHROHIN-HXUWFJFHSA-N 0 0 467.580 4.983 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc(SC(F)(F)F)nc2)c1 ZINC001455982743 1066466600 /nfs/dbraw/zinc/46/66/00/1066466600.db2.gz GSPMZPWEADOKMW-UHFFFAOYSA-N 0 0 457.474 4.849 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444493148 1066466666 /nfs/dbraw/zinc/46/66/66/1066466666.db2.gz XEVGTROXPMLSMC-NTKDMRAZSA-N 0 0 452.551 4.768 20 0 JJADRN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444493129 1066466754 /nfs/dbraw/zinc/46/67/54/1066466754.db2.gz XEVGTROXPMLSMC-CYFREDJKSA-N 0 0 452.551 4.768 20 0 JJADRN CON(C[C@@H]1CCCc2ccccc21)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001455984611 1066467051 /nfs/dbraw/zinc/46/70/51/1066467051.db2.gz WKNCIBGRTDUYJI-NRFANRHFSA-N 0 0 450.560 4.611 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C)c2Cl)c1 ZINC001361161431 1066467168 /nfs/dbraw/zinc/46/71/68/1066467168.db2.gz NDMVQILIWKRWDC-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cnn1-c1cccc(Br)c1 ZINC001361161670 1066467803 /nfs/dbraw/zinc/46/78/03/1066467803.db2.gz UNBSZNUVIMGOPC-LJQANCHMSA-N 0 0 454.368 4.622 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC001455989027 1066467809 /nfs/dbraw/zinc/46/78/09/1066467809.db2.gz ZLDCAGACXZZWIU-GOSISDBHSA-N 0 0 457.914 4.742 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001455988973 1066467915 /nfs/dbraw/zinc/46/79/15/1066467915.db2.gz YVEYUQADELQUNJ-UYAOXDASSA-N 0 0 480.483 4.711 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)OCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC001455989030 1066467918 /nfs/dbraw/zinc/46/79/18/1066467918.db2.gz ZLDCAGACXZZWIU-SFHVURJKSA-N 0 0 457.914 4.742 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)C3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361161978 1066468373 /nfs/dbraw/zinc/46/83/73/1066468373.db2.gz DSASJVVIYHDGHX-UHFFFAOYSA-N 0 0 469.655 4.891 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001361162145 1066468934 /nfs/dbraw/zinc/46/89/34/1066468934.db2.gz JFNWSNCPKNOCDP-JOCHJYFZSA-N 0 0 467.614 4.669 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 ZINC001455996310 1066469172 /nfs/dbraw/zinc/46/91/72/1066469172.db2.gz IORBXIQAAAHXQL-UHFFFAOYSA-N 0 0 459.337 4.559 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCOc2ncccc2Cl)c1 ZINC001361162350 1066469520 /nfs/dbraw/zinc/46/95/20/1066469520.db2.gz AJQUFXNAAMZWPA-GOSISDBHSA-N 0 0 474.030 4.543 20 0 JJADRN O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001455996524 1066469657 /nfs/dbraw/zinc/46/96/57/1066469657.db2.gz KPAZIPKHZSYZNR-UHFFFAOYSA-N 0 0 456.373 4.859 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCc2cccc(OC(F)F)c2)c1 ZINC001455997255 1066469715 /nfs/dbraw/zinc/46/97/15/1066469715.db2.gz JOFBMBFZFXUJII-UHFFFAOYSA-N 0 0 450.482 4.763 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)n2CC(C)C)c1 ZINC001361162495 1066470103 /nfs/dbraw/zinc/47/01/03/1066470103.db2.gz CKWOSHNXCOOGDR-VXKWHMMOSA-N 0 0 483.657 4.966 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCc4cc(Cl)cc(F)c43)s2)CC1 ZINC001456003395 1066470324 /nfs/dbraw/zinc/47/03/24/1066470324.db2.gz AOWTUYKKTKMOFO-UHFFFAOYSA-N 0 0 456.992 4.554 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2nccs2)c1 ZINC001361162874 1066470828 /nfs/dbraw/zinc/47/08/28/1066470828.db2.gz STZJRLAWDZJUED-XMMPIXPASA-N 0 0 455.628 4.620 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)nc1Br ZINC001444511976 1066470991 /nfs/dbraw/zinc/47/09/91/1066470991.db2.gz RJJRELIJDPWWOH-CYBMUJFWSA-N 0 0 453.764 4.610 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)/C=C\C2CCOCC2)cc1 ZINC001456007969 1066471137 /nfs/dbraw/zinc/47/11/37/1066471137.db2.gz LEIOLQGZVICOEG-WCIBSUBMSA-N 0 0 457.368 4.924 20 0 JJADRN COc1cc(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)ccc1Br ZINC001361162979 1066471534 /nfs/dbraw/zinc/47/15/34/1066471534.db2.gz FXACZHZDCWZIFV-UHFFFAOYSA-N 0 0 453.086 4.579 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2cccc(C)n2)c1 ZINC001361163040 1066471572 /nfs/dbraw/zinc/47/15/72/1066471572.db2.gz JZOKLWHYMGKCCW-XMMPIXPASA-N 0 0 465.667 4.998 20 0 JJADRN CCCn1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)cn1 ZINC001456011667 1066471671 /nfs/dbraw/zinc/47/16/71/1066471671.db2.gz WHMHYOYRHVZPEH-UHFFFAOYSA-N 0 0 455.356 4.861 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC001456009577 1066471687 /nfs/dbraw/zinc/47/16/87/1066471687.db2.gz OJTFCQIRFDFUDN-UHFFFAOYSA-N 0 0 453.955 4.661 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COc1cccc(Cl)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012315 1066471693 /nfs/dbraw/zinc/47/16/93/1066471693.db2.gz ABLUQIKCPYNYEJ-BXKMTCNYSA-N 0 0 458.002 4.797 20 0 JJADRN Cc1cc(C(=O)Nc2c(F)cccc2N2CCCC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456009364 1066471874 /nfs/dbraw/zinc/47/18/74/1066471874.db2.gz QVFYWLPCDIJTTP-UHFFFAOYSA-N 0 0 453.558 4.686 20 0 JJADRN O=C(NCc1cccc(COC2CCOCC2)c1)C(F)(F)c1ccc(Br)cc1 ZINC001456011646 1066471897 /nfs/dbraw/zinc/47/18/97/1066471897.db2.gz VXPXZTYPJKWJIS-UHFFFAOYSA-N 0 0 454.311 4.553 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC001361163095 1066472075 /nfs/dbraw/zinc/47/20/75/1066472075.db2.gz HLXDXWTWKMHQGM-UHFFFAOYSA-N 0 0 454.495 4.817 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(N3CCSCC3)cc2)nnc1-c1ccccc1C ZINC001444529013 1066472746 /nfs/dbraw/zinc/47/27/46/1066472746.db2.gz PTAVPFCOMCOEIT-UHFFFAOYSA-N 0 0 453.637 4.557 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC2CCN(CC(F)(F)F)CC2)c1 ZINC001361163241 1066472718 /nfs/dbraw/zinc/47/27/18/1066472718.db2.gz LFDGMXWAEQOXAM-CTNGQTDRSA-N 0 0 497.581 4.933 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)c(C)n1-c1cnn(C)c1 ZINC001456015359 1066473136 /nfs/dbraw/zinc/47/31/36/1066473136.db2.gz GDZPZMPGFDMXQE-UHFFFAOYSA-N 0 0 457.321 4.969 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COCc1cccc(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456014335 1066473189 /nfs/dbraw/zinc/47/31/89/1066473189.db2.gz IRGLKRDIWYNYEK-KOSHJBKYSA-N 0 0 458.002 4.626 20 0 JJADRN CCCc1nc(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)nn1-c1ccccc1Cl ZINC001456015275 1066473218 /nfs/dbraw/zinc/47/32/18/1066473218.db2.gz CEJXEFRPKSCKGB-UHFFFAOYSA-N 0 0 456.974 4.598 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC001456014938 1066473259 /nfs/dbraw/zinc/47/32/59/1066473259.db2.gz CZFNEERZTDHRBA-HXUWFJFHSA-N 0 0 453.539 4.839 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC001456014255 1066473373 /nfs/dbraw/zinc/47/33/73/1066473373.db2.gz HOWCVAGGQUWVRA-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1)c1cccc(CN2CCOCC2)c1 ZINC001456015418 1066473948 /nfs/dbraw/zinc/47/39/48/1066473948.db2.gz GITZVYGJARINMJ-UHFFFAOYSA-N 0 0 459.333 4.660 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)n2)cc1 ZINC001456015458 1066474026 /nfs/dbraw/zinc/47/40/26/1066474026.db2.gz JQIZRLSUZZMDHB-UHFFFAOYSA-N 0 0 457.486 4.674 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCn2cc(Cl)cn2)c1 ZINC001361163892 1066474151 /nfs/dbraw/zinc/47/41/51/1066474151.db2.gz SDNNJZFIHPSLMS-HDICACEKSA-N 0 0 478.975 4.752 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456015954 1066474058 /nfs/dbraw/zinc/47/40/58/1066474058.db2.gz KVLYMUKCPIFOJI-CDNOPDGFSA-N 0 0 455.549 4.838 20 0 JJADRN O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC001444549164 1066474236 /nfs/dbraw/zinc/47/42/36/1066474236.db2.gz IAPFOICPYYSJEK-UHFFFAOYSA-N 0 0 450.423 4.647 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361164052 1066474817 /nfs/dbraw/zinc/47/48/17/1066474817.db2.gz UGEXSNJKATWCCC-NZQKXSOJSA-N 0 0 458.672 4.868 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001456016031 1066474720 /nfs/dbraw/zinc/47/47/20/1066474720.db2.gz DAEGMYQBTBENLR-MRXNPFEDSA-N 0 0 454.493 4.560 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456016208 1066474893 /nfs/dbraw/zinc/47/48/93/1066474893.db2.gz MDDSWYUDFGSBPC-YEHREXKJSA-N 0 0 463.622 4.547 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444559055 1066475662 /nfs/dbraw/zinc/47/56/62/1066475662.db2.gz ASKQFGFQGCBNEO-HBGVWJBISA-N 0 0 451.007 4.648 20 0 JJADRN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017638 1066475654 /nfs/dbraw/zinc/47/56/54/1066475654.db2.gz KQBIYCVLEIPCBL-RRPNLBNLSA-N 0 0 455.602 4.716 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCNc2ccccn2)c1 ZINC001361164169 1066475617 /nfs/dbraw/zinc/47/56/17/1066475617.db2.gz XNMMBDSUVUUOOA-QHCPKHFHSA-N 0 0 480.682 4.949 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2Cc2ccncc2Cl)c1 ZINC001361164170 1066475680 /nfs/dbraw/zinc/47/56/80/1066475680.db2.gz XPBXPXXRDNXNOW-UHFFFAOYSA-N 0 0 458.031 4.902 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3Cc3cc(Br)cs3)C2)cc1 ZINC001361165009 1066476332 /nfs/dbraw/zinc/47/63/32/1066476332.db2.gz BVAMZPLYGVIEJM-NRFANRHFSA-N 0 0 461.429 4.680 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361165642 1066476343 /nfs/dbraw/zinc/47/63/43/1066476343.db2.gz JNTVJIGDZYZDAB-XXBNENTESA-N 0 0 452.603 4.792 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC3=CCCCC3)CC2)cc1 ZINC001361166059 1066476961 /nfs/dbraw/zinc/47/69/61/1066476961.db2.gz PGMBHBSGXJPRSL-NRFANRHFSA-N 0 0 485.698 4.645 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019969 1066477058 /nfs/dbraw/zinc/47/70/58/1066477058.db2.gz VMVGUHVLBLKHIZ-YADARESESA-N 0 0 451.586 4.918 20 0 JJADRN CCOC(=O)Nc1scnc1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC001444564368 1066477262 /nfs/dbraw/zinc/47/72/62/1066477262.db2.gz IXQHXDHWYPCVDN-UHFFFAOYSA-N 0 0 453.499 4.965 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC001456021800 1066478257 /nfs/dbraw/zinc/47/82/57/1066478257.db2.gz XCJKBPUPVBUQHG-QGZVFWFLSA-N 0 0 453.421 4.827 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1C ZINC001456021149 1066478420 /nfs/dbraw/zinc/47/84/20/1066478420.db2.gz YUNOZDCPJFNSTD-UHFFFAOYSA-N 0 0 453.926 4.963 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@](O)(c4ccc(C)cc4)C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361166874 1066478478 /nfs/dbraw/zinc/47/84/78/1066478478.db2.gz AZVCTRORVUTPBZ-HHHXNRCGSA-N 0 0 495.624 4.510 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC001444594615 1066479391 /nfs/dbraw/zinc/47/93/91/1066479391.db2.gz AJVLNYLFZWVHEU-FZMZJTMJSA-N 0 0 450.885 4.849 20 0 JJADRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001444586423 1066479540 /nfs/dbraw/zinc/47/95/40/1066479540.db2.gz XJXGSKHZVVKYKU-UHFFFAOYSA-N 0 0 454.495 4.584 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001361167162 1066479873 /nfs/dbraw/zinc/47/98/73/1066479873.db2.gz IZFUMDURFOFREL-DWACAAAGSA-N 0 0 497.684 4.673 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc([C@H]4CCCCO4)n3CCCSCC(C)C)C2)cc1 ZINC001361167367 1066480002 /nfs/dbraw/zinc/48/00/02/1066480002.db2.gz OJBYZWLXQRVWPZ-RDGATRHJSA-N 0 0 458.672 4.705 20 0 JJADRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C ZINC001444601086 1066480285 /nfs/dbraw/zinc/48/02/85/1066480285.db2.gz ITMVLVQHTUFWQZ-UHFFFAOYSA-N 0 0 459.568 4.741 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)CCC(C)C)C2)cc1 ZINC001361167372 1066480543 /nfs/dbraw/zinc/48/05/43/1066480543.db2.gz OKEURDGNSGEPAN-UIOOFZCWSA-N 0 0 484.044 4.587 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)CCC(C)C)C2)cc1 ZINC001361167370 1066480648 /nfs/dbraw/zinc/48/06/48/1066480648.db2.gz OKEURDGNSGEPAN-FTJBHMTQSA-N 0 0 484.044 4.587 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N(C)Cc3ncc(Cl)n3C)co2)cc1 ZINC001361167501 1066480665 /nfs/dbraw/zinc/48/06/65/1066480665.db2.gz RZSFNQLRWJGDRG-UHFFFAOYSA-N 0 0 468.005 4.706 20 0 JJADRN CCc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c2c(n1)onc2C(C)C ZINC001456027141 1066481520 /nfs/dbraw/zinc/48/15/20/1066481520.db2.gz GEJRLRCBJJGYTJ-JOCHJYFZSA-N 0 0 456.546 4.888 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1ccccc1Cl ZINC001456028284 1066481561 /nfs/dbraw/zinc/48/15/61/1066481561.db2.gz JNWXWBAOOSTJBZ-QHCPKHFHSA-N 0 0 458.949 4.814 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC001361168034 1066481952 /nfs/dbraw/zinc/48/19/52/1066481952.db2.gz YNCFJCJZXQXYHT-VWLOTQADSA-N 0 0 487.570 4.930 20 0 JJADRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc(I)c1C ZINC001361168627 1066482107 /nfs/dbraw/zinc/48/21/07/1066482107.db2.gz VRPPJBFHRGXAKR-UHFFFAOYSA-N 0 0 459.711 4.921 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCCC(C)C)cc1Br ZINC001361169425 1066482720 /nfs/dbraw/zinc/48/27/20/1066482720.db2.gz DHJNMRYJACWORS-IAGOWNOFSA-N 0 0 485.492 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361169380 1066482776 /nfs/dbraw/zinc/48/27/76/1066482776.db2.gz CDKYMNSUYQVSBU-VFUUUVHZSA-N 0 0 470.639 4.985 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030620 1066483009 /nfs/dbraw/zinc/48/30/09/1066483009.db2.gz OXALOOHBLQVHSN-HNNXBMFYSA-N 0 0 457.199 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCCNC(=O)c2occc2C)o1 ZINC001361169579 1066483697 /nfs/dbraw/zinc/48/36/97/1066483697.db2.gz HKYKWVHEIHHQPO-KRWDZBQOSA-N 0 0 453.568 4.827 20 0 JJADRN Cc1c(I)ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1C ZINC001456030934 1066483621 /nfs/dbraw/zinc/48/36/21/1066483621.db2.gz TYVYNEBXNZTFEL-INIZCTEOSA-N 0 0 458.340 4.540 20 0 JJADRN CCn1c(SCC(=O)NCC2(O)CCCCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC001444616083 1066483742 /nfs/dbraw/zinc/48/37/42/1066483742.db2.gz IFXPWMFXRKBSEN-UHFFFAOYSA-N 0 0 457.427 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361169698 1066484078 /nfs/dbraw/zinc/48/40/78/1066484078.db2.gz JDOKZYPCGPBAGV-MRXNPFEDSA-N 0 0 452.509 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)o1 ZINC001361169744 1066484107 /nfs/dbraw/zinc/48/41/07/1066484107.db2.gz JVAIQOXDXBKTBD-AMJCMPABSA-N 0 0 470.639 4.987 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC ZINC001456033370 1066484092 /nfs/dbraw/zinc/48/40/92/1066484092.db2.gz VMWPDWXLECABTP-QGZVFWFLSA-N 0 0 451.494 4.984 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1NC(=O)c1cccs1 ZINC001444616696 1066484166 /nfs/dbraw/zinc/48/41/66/1066484166.db2.gz DBEXPOODRWEBBR-APWZRJJASA-N 0 0 457.596 4.684 20 0 JJADRN C[C@@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444616723 1066484304 /nfs/dbraw/zinc/48/43/04/1066484304.db2.gz DJQWKMXDJGSOPU-QAPCUYQASA-N 0 0 456.505 4.670 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2)cc1 ZINC001444618476 1066484668 /nfs/dbraw/zinc/48/46/68/1066484668.db2.gz MLNGGSIYSOVEIK-UHFFFAOYSA-N 0 0 454.552 4.519 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3cc(C4CCCCCC4)[nH]n3)CC2=O)ccc1Br ZINC001444620977 1066485058 /nfs/dbraw/zinc/48/50/58/1066485058.db2.gz KLPRWXHTBBNRMX-MRXNPFEDSA-N 0 0 459.388 4.910 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC001456035309 1066485131 /nfs/dbraw/zinc/48/51/31/1066485131.db2.gz QWBVSGMOJDGUOR-IBGZPJMESA-N 0 0 451.368 4.621 20 0 JJADRN O=C(CCc1c[nH]cn1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621973 1066485154 /nfs/dbraw/zinc/48/51/54/1066485154.db2.gz ZUSWFHHPGXTDNV-IBGZPJMESA-N 0 0 450.739 4.998 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2c[nH]c3cnccc23)c2ccccc2)cc1Br ZINC001456034594 1066485252 /nfs/dbraw/zinc/48/52/52/1066485252.db2.gz IUYFLLJXAMQZAL-HSZRJFAPSA-N 0 0 450.336 4.782 20 0 JJADRN CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC001456036336 1066485790 /nfs/dbraw/zinc/48/57/90/1066485790.db2.gz DXYSBKWXRBVTSS-YADARESESA-N 0 0 458.624 4.777 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c(C)cc1Br ZINC001456035133 1066485814 /nfs/dbraw/zinc/48/58/14/1066485814.db2.gz GNJXOADUGXMBPL-OAHLLOKOSA-N 0 0 452.190 4.837 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3cc(Br)c(Cl)cc3OC)n2)cc1 ZINC001456034875 1066485827 /nfs/dbraw/zinc/48/58/27/1066485827.db2.gz MELDXPQPMOUGJN-UHFFFAOYSA-N 0 0 454.733 4.891 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2csc(C)c2)o1 ZINC001361170642 1066485824 /nfs/dbraw/zinc/48/58/24/1066485824.db2.gz PHLUNPGOUKTZHX-QGZVFWFLSA-N 0 0 470.620 4.866 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@H](C)c2nc3ccccc3n2C)cc1Br ZINC001444635993 1066486583 /nfs/dbraw/zinc/48/65/83/1066486583.db2.gz WZSXKHDUXHRQBO-LLVKDONJSA-N 0 0 451.162 4.898 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@@H](C)c1nc3ccccc3n1C)N2C(=O)OC(C)(C)C ZINC001444634457 1066486765 /nfs/dbraw/zinc/48/67/65/1066486765.db2.gz SEDUEFDACGFVSW-YCRPNKLZSA-N 0 0 452.530 4.564 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456038456 1066487165 /nfs/dbraw/zinc/48/71/65/1066487165.db2.gz PEZAFBOSDQSIRG-XJKSGUPXSA-N 0 0 457.290 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)o1 ZINC001361171861 1066487870 /nfs/dbraw/zinc/48/78/70/1066487870.db2.gz XDOXLRQRGZHCRS-LJQANCHMSA-N 0 0 481.597 4.646 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2CCC2=CCCCC2)o1 ZINC001361171875 1066487909 /nfs/dbraw/zinc/48/79/09/1066487909.db2.gz XHBMRJCICADAFJ-GOSISDBHSA-N 0 0 469.611 4.582 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CC[C@H](F)C2)o1 ZINC001361171996 1066488694 /nfs/dbraw/zinc/48/86/94/1066488694.db2.gz XYMPYGXOAQRCLJ-AOIWGVFYSA-N 0 0 460.575 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CC[C@@H](F)C2)o1 ZINC001361171999 1066488785 /nfs/dbraw/zinc/48/87/85/1066488785.db2.gz XYMPYGXOAQRCLJ-ZIFCJYIRSA-N 0 0 460.575 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CC[C@@H](F)C2)o1 ZINC001361171998 1066488820 /nfs/dbraw/zinc/48/88/20/1066488820.db2.gz XYMPYGXOAQRCLJ-ZHALLVOQSA-N 0 0 460.575 4.586 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c(Cl)c1 ZINC001456044638 1066489477 /nfs/dbraw/zinc/48/94/77/1066489477.db2.gz RAHQSEANJFTGMY-GOSISDBHSA-N 0 0 456.886 4.554 20 0 JJADRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC001444663262 1066489455 /nfs/dbraw/zinc/48/94/55/1066489455.db2.gz NBAVSDQQRCCUTG-UHFFFAOYSA-N 0 0 454.039 4.866 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2Cc2cnn(C)c2)o1 ZINC001361172301 1066490118 /nfs/dbraw/zinc/49/01/18/1066490118.db2.gz ZQRDEMBKESAEHN-SFHVURJKSA-N 0 0 473.350 4.538 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001444665795 1066490167 /nfs/dbraw/zinc/49/01/67/1066490167.db2.gz IKZFGDXCGOKMLT-FQEVSTJZSA-N 0 0 458.452 4.849 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1coc(Sc2ncccn2)n1)c1ccccc1Cl ZINC001444666269 1066490231 /nfs/dbraw/zinc/49/02/31/1066490231.db2.gz IJHUGASCLUXCOD-LJQANCHMSA-N 0 0 452.923 4.797 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@@H]1CCCN1Cc1ccccn1 ZINC001444665884 1066490255 /nfs/dbraw/zinc/49/02/55/1066490255.db2.gz IUPBJBBAFNGOJS-QFIPXVFZSA-N 0 0 456.428 4.827 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001444664219 1066490337 /nfs/dbraw/zinc/49/03/37/1066490337.db2.gz AXIBFMAUQKOUKT-QGZVFWFLSA-N 0 0 457.393 4.576 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)[C@@H]2CCOC2)sc1C ZINC001361173483 1066490605 /nfs/dbraw/zinc/49/06/05/1066490605.db2.gz HPJNATQNNDVCSX-QGZVFWFLSA-N 0 0 476.444 4.557 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCCOC(F)F)cc1Br ZINC001361173745 1066490725 /nfs/dbraw/zinc/49/07/25/1066490725.db2.gz ITMTUDNSQUVQGT-CQSZACIVSA-N 0 0 461.376 4.587 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001456047132 1066491126 /nfs/dbraw/zinc/49/11/26/1066491126.db2.gz HCDAGFRSVGZSSI-BQFCYCMXSA-N 0 0 450.482 4.537 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001456047136 1066491312 /nfs/dbraw/zinc/49/13/12/1066491312.db2.gz HCDAGFRSVGZSSI-NUJGCVRESA-N 0 0 450.482 4.537 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2C[C@H]2CCO[C@H]2C(C)C)o1 ZINC001361174594 1066491580 /nfs/dbraw/zinc/49/15/80/1066491580.db2.gz UOWHFBCACHMKTJ-LFAGZIFBSA-N 0 0 479.625 4.563 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001444676522 1066492179 /nfs/dbraw/zinc/49/21/79/1066492179.db2.gz TVJQETKAERQHSE-JLTOFOAXSA-N 0 0 452.769 4.925 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001444676541 1066492255 /nfs/dbraw/zinc/49/22/55/1066492255.db2.gz TVJQETKAERQHSE-VBKZILBWSA-N 0 0 452.769 4.925 20 0 JJADRN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)CN1CCOCC1 ZINC001444677755 1066492265 /nfs/dbraw/zinc/49/22/65/1066492265.db2.gz CWSFXPNNEXWYGF-OAHLLOKOSA-N 0 0 456.505 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CCc2nccc(C(F)(F)F)n2)o1 ZINC001361175420 1066492775 /nfs/dbraw/zinc/49/27/75/1066492775.db2.gz MMZKEJOSHONLPY-CYBMUJFWSA-N 0 0 477.516 4.594 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001456049630 1066492737 /nfs/dbraw/zinc/49/27/37/1066492737.db2.gz NYWQVRDHOVMIKB-IPMKNSEASA-N 0 0 450.482 4.537 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CCc2nccc(C(F)(F)F)n2)o1 ZINC001361175421 1066492890 /nfs/dbraw/zinc/49/28/90/1066492890.db2.gz MMZKEJOSHONLPY-ZDUSSCGKSA-N 0 0 477.516 4.594 20 0 JJADRN O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cnnn1-c1ccccc1Br ZINC001456050850 1066493414 /nfs/dbraw/zinc/49/34/14/1066493414.db2.gz MKDZIVZYXMPYGH-UHFFFAOYSA-N 0 0 459.687 4.695 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361175629 1066493519 /nfs/dbraw/zinc/49/35/19/1066493519.db2.gz SXVBLUFEZVHKHB-UHFFFAOYSA-N 0 0 487.595 4.801 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1cccc(Cl)c1 ZINC001444688384 1066493512 /nfs/dbraw/zinc/49/35/12/1066493512.db2.gz JKVKFIJSXVJEOO-BFUOFWGJSA-N 0 0 454.901 4.768 20 0 JJADRN C[C@H](CNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)CN1CCOCC1 ZINC001444686611 1066493555 /nfs/dbraw/zinc/49/35/55/1066493555.db2.gz OIURZBLRJSTRLF-HXUWFJFHSA-N 0 0 450.604 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361175938 1066493822 /nfs/dbraw/zinc/49/38/22/1066493822.db2.gz ZBSOKQDIFCBPGU-UHFFFAOYSA-N 0 0 497.587 4.770 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N=[S@@](C)(=O)C1CCCCC1)NC(=O)OC(C)(C)C ZINC001456054108 1066495079 /nfs/dbraw/zinc/49/50/79/1066495079.db2.gz XKBPHUJIABZKJJ-RQZFFVEVSA-N 0 0 452.617 4.998 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c2ccccc2Cl)c(C)c1 ZINC001444710301 1066495754 /nfs/dbraw/zinc/49/57/54/1066495754.db2.gz YLMYPYRNEIWQHM-VWNXMTODSA-N 0 0 451.954 4.662 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccnc1 ZINC001361177475 1066495856 /nfs/dbraw/zinc/49/58/56/1066495856.db2.gz FWDYMTQSQDQRQX-UHFFFAOYSA-N 0 0 481.398 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361177448 1066495987 /nfs/dbraw/zinc/49/59/87/1066495987.db2.gz DZKWLSQEOXBKFH-UHFFFAOYSA-N 0 0 480.535 4.752 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cccn1 ZINC001361177739 1066497076 /nfs/dbraw/zinc/49/70/76/1066497076.db2.gz PCCGOEJHZRGNEQ-UHFFFAOYSA-N 0 0 486.443 4.704 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001456057761 1066497325 /nfs/dbraw/zinc/49/73/25/1066497325.db2.gz XPAZOCLQOHFWJY-GAJHUEQPSA-N 0 0 450.535 4.800 20 0 JJADRN C[C@H](CNC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)Oc1ccc(Cl)cc1 ZINC001444721819 1066497463 /nfs/dbraw/zinc/49/74/63/1066497463.db2.gz FPDCNJFNJYHGEM-CQSZACIVSA-N 0 0 450.992 4.542 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)C1 ZINC001546078951 1066497925 /nfs/dbraw/zinc/49/79/25/1066497925.db2.gz CKDWAPXMEFOPRO-MNFWLRKXSA-N 0 0 474.675 4.935 20 0 JJADRN O=C(NCc1ccnc(OCC2CC2)c1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001456059678 1066497936 /nfs/dbraw/zinc/49/79/36/1066497936.db2.gz ZPNGHBKTLAHLPH-UHFFFAOYSA-N 0 0 454.324 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CC(F)(F)CO2)o1 ZINC001361178163 1066498077 /nfs/dbraw/zinc/49/80/77/1066498077.db2.gz HBDWYBOJMPNMET-MRXNPFEDSA-N 0 0 467.314 4.670 20 0 JJADRN COc1ccc(-c2cc(C(=O)OCc3ncc(-c4cccc(Cl)c4)o3)nn2C)cc1OC ZINC001456061529 1066498953 /nfs/dbraw/zinc/49/89/53/1066498953.db2.gz ZEPYNOUZSRABCR-UHFFFAOYSA-N 0 0 453.882 4.770 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CCCS(=O)(=O)c2ccccc2)o1 ZINC001361178208 1066498891 /nfs/dbraw/zinc/49/88/91/1066498891.db2.gz IRXQSZTXCZQWJE-UHFFFAOYSA-N 0 0 470.620 4.717 20 0 JJADRN CC[C@@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1nc(C(F)(F)F)cs1 ZINC001444729983 1066498903 /nfs/dbraw/zinc/49/89/03/1066498903.db2.gz CHTNVFSMGOOKQU-OAHLLOKOSA-N 0 0 454.518 4.541 20 0 JJADRN CC(C)(CNC(=O)c1csc(Br)n1)Sc1ccc(Br)cc1 ZINC001444731614 1066498913 /nfs/dbraw/zinc/49/89/13/1066498913.db2.gz YUTDNNKJNDEJAI-UHFFFAOYSA-N 0 0 450.221 4.969 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)c21 ZINC001456064798 1066499633 /nfs/dbraw/zinc/49/96/33/1066499633.db2.gz AZTOPJRIDHTYIZ-UHFFFAOYSA-N 0 0 459.516 4.683 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001546079003 1066500689 /nfs/dbraw/zinc/50/06/89/1066500689.db2.gz DESDTUGCJIEAKB-XMMPIXPASA-N 0 0 478.106 4.961 20 0 JJADRN CCN(C(=O)CN1c2ccccc2O[C@@H](C)C1=O)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067284 1066500780 /nfs/dbraw/zinc/50/07/80/1066500780.db2.gz QOWCPQGHJCBDCP-DCFHFQCYSA-N 0 0 457.574 4.957 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001444744079 1066500835 /nfs/dbraw/zinc/50/08/35/1066500835.db2.gz VHIKUVPXYVMBDR-LJQANCHMSA-N 0 0 450.295 4.909 20 0 JJADRN CCN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456068868 1066501194 /nfs/dbraw/zinc/50/11/94/1066501194.db2.gz WIRLSBUYSKJEPR-XMMPIXPASA-N 0 0 455.480 4.647 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001444749758 1066501246 /nfs/dbraw/zinc/50/12/46/1066501246.db2.gz URDRRFPDGLGNTH-BVGQSLNGSA-N 0 0 458.274 4.747 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)n2C[C@]2(O)CCCC2(C)C)o1 ZINC001361180921 1066501659 /nfs/dbraw/zinc/50/16/59/1066501659.db2.gz AYHQHZPIQAHFHN-IQGLISFBSA-N 0 0 486.617 4.541 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)nn1C ZINC001444754781 1066501582 /nfs/dbraw/zinc/50/15/82/1066501582.db2.gz QGBUFFNWEFLEQK-SFHVURJKSA-N 0 0 452.559 4.675 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCc2sc(C)nc2C)o1 ZINC001361180973 1066501956 /nfs/dbraw/zinc/50/19/56/1066501956.db2.gz CDSLBEBSXUKUFK-UHFFFAOYSA-N 0 0 451.600 4.712 20 0 JJADRN CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456070910 1066502093 /nfs/dbraw/zinc/50/20/93/1066502093.db2.gz GJTFJWFOJCFYIO-RUZDIDTESA-N 0 0 458.949 4.592 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545968675 1066502068 /nfs/dbraw/zinc/50/20/68/1066502068.db2.gz JETNOBURWJSHPD-SQGPQFPESA-N 0 0 478.037 4.763 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 ZINC001361181104 1066502361 /nfs/dbraw/zinc/50/23/61/1066502361.db2.gz QFQFPGRBRAAHEH-UHFFFAOYSA-N 0 0 467.371 4.701 20 0 JJADRN CCN(CC1CCN(C(=O)c2c(OC)ccc(SC)c2OC)CC1)C(=O)OC(C)(C)C ZINC001444767967 1066502554 /nfs/dbraw/zinc/50/25/54/1066502554.db2.gz JYLLHKJBOUEEGO-UHFFFAOYSA-N 0 0 452.617 4.535 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001444766083 1066502658 /nfs/dbraw/zinc/50/26/58/1066502658.db2.gz BIGZQIJLRALLTI-UHFFFAOYSA-N 0 0 453.967 4.583 20 0 JJADRN CCN(CC1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001444765521 1066502756 /nfs/dbraw/zinc/50/27/56/1066502756.db2.gz AWJMRZXIRAXWFB-UHFFFAOYSA-N 0 0 453.583 4.770 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)c1 ZINC001456072053 1066502572 /nfs/dbraw/zinc/50/25/72/1066502572.db2.gz YTPOBKLSCKBKRF-FQEVSTJZSA-N 0 0 458.400 4.940 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2CCCOC[C@@H]2CCOC2)cc1Br ZINC001361181376 1066502994 /nfs/dbraw/zinc/50/29/94/1066502994.db2.gz KSIFLNSLJULFMT-IBGZPJMESA-N 0 0 489.414 4.689 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)c2)n1 ZINC001456073486 1066503044 /nfs/dbraw/zinc/50/30/44/1066503044.db2.gz GJFJELCKFHONPW-HSZRJFAPSA-N 0 0 454.527 4.884 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)c2)n1 ZINC001456073488 1066503075 /nfs/dbraw/zinc/50/30/75/1066503075.db2.gz GJFJELCKFHONPW-QHCPKHFHSA-N 0 0 454.527 4.884 20 0 JJADRN CCN(C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075421 1066503521 /nfs/dbraw/zinc/50/35/21/1066503521.db2.gz OYGJEYMHSADEKE-NFBKMPQASA-N 0 0 454.979 4.634 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)c3nnn(CCOc4ccc(F)cc4)c3C)c2)n1 ZINC001456075944 1066503528 /nfs/dbraw/zinc/50/35/28/1066503528.db2.gz LFLJMEJWVNRQCC-UHFFFAOYSA-N 0 0 452.515 4.565 20 0 JJADRN COc1ccc(C2CCN(C(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)CC2)cc1 ZINC001444782743 1066503723 /nfs/dbraw/zinc/50/37/23/1066503723.db2.gz DXLXQAXZXZXFPZ-UHFFFAOYSA-N 0 0 450.579 4.942 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001444782923 1066503736 /nfs/dbraw/zinc/50/37/36/1066503736.db2.gz FYRXLZLXMVYVDK-OAHLLOKOSA-N 0 0 450.888 4.950 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC)c2)cc1 ZINC001456076854 1066504117 /nfs/dbraw/zinc/50/41/17/1066504117.db2.gz RZFUFACJECJXIT-UHFFFAOYSA-N 0 0 456.589 4.636 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@@H]3CC(Br)=NN3c3ccc(C)cc3)CC2)cc1 ZINC001444786824 1066504129 /nfs/dbraw/zinc/50/41/29/1066504129.db2.gz NRCMSYYXSXHMFZ-NRFANRHFSA-N 0 0 456.384 4.697 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@]2(O)CCC[C@@H]2C)o1 ZINC001361181781 1066504211 /nfs/dbraw/zinc/50/42/11/1066504211.db2.gz WJVDLKJTBJKMIT-BUXKBTBVSA-N 0 0 455.506 4.509 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)cc1 ZINC001456078117 1066504646 /nfs/dbraw/zinc/50/46/46/1066504646.db2.gz LTSQQKAMYHMLHT-SFHVURJKSA-N 0 0 456.015 4.672 20 0 JJADRN Cc1cc(I)cnc1NC(=O)CCOc1cc(Cl)ccc1Cl ZINC001361182461 1066504602 /nfs/dbraw/zinc/50/46/02/1066504602.db2.gz AFEMGCKWELVORM-UHFFFAOYSA-N 0 0 451.091 4.709 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC[C@H]2CCCCO2)cc1Br ZINC001361182884 1066504994 /nfs/dbraw/zinc/50/49/94/1066504994.db2.gz CPDHGIQKMDXUFV-GOSISDBHSA-N 0 0 460.376 4.600 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)c2)n1 ZINC001456078927 1066505066 /nfs/dbraw/zinc/50/50/66/1066505066.db2.gz PAUMEUFSXGCAMU-UHFFFAOYSA-N 0 0 452.561 4.794 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3cc4cc(Br)ccc4s3)cc2)cn1 ZINC001456079165 1066505196 /nfs/dbraw/zinc/50/51/96/1066505196.db2.gz XAXBZSKQOAVACM-UHFFFAOYSA-N 0 0 456.321 4.869 20 0 JJADRN O=C(CCNC(=O)c1[nH]nc2ccccc21)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444802836 1066505485 /nfs/dbraw/zinc/50/54/85/1066505485.db2.gz ASZYHWXOQICRLK-UHFFFAOYSA-N 0 0 458.484 4.677 20 0 JJADRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001444799491 1066505601 /nfs/dbraw/zinc/50/56/01/1066505601.db2.gz FXYXSJYXFURAQN-WOJBJXKFSA-N 0 0 454.514 4.875 20 0 JJADRN O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001444805792 1066505989 /nfs/dbraw/zinc/50/59/89/1066505989.db2.gz OTZKLNYBABGKEE-INIZCTEOSA-N 0 0 455.805 4.978 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC001444804273 1066506078 /nfs/dbraw/zinc/50/60/78/1066506078.db2.gz LTJDXTMEWSDAMR-OPAMFIHVSA-N 0 0 458.961 4.950 20 0 JJADRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001456081228 1066505930 /nfs/dbraw/zinc/50/59/30/1066505930.db2.gz XMIGWADEEFOFLL-HXUWFJFHSA-N 0 0 454.492 4.711 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001456089136 1066507019 /nfs/dbraw/zinc/50/70/19/1066507019.db2.gz OZUQFHUASZPEDG-RUZDIDTESA-N 0 0 455.558 4.813 20 0 JJADRN C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001456089045 1066507061 /nfs/dbraw/zinc/50/70/61/1066507061.db2.gz WTWRGFLHINAPKI-KRWDZBQOSA-N 0 0 458.990 4.609 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C2CC2)nc1C ZINC001456090940 1066507455 /nfs/dbraw/zinc/50/74/55/1066507455.db2.gz YHLQSVNGGVMDOT-JKSUJKDBSA-N 0 0 454.470 4.826 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C1 ZINC001546079266 1066507491 /nfs/dbraw/zinc/50/74/91/1066507491.db2.gz IPOBPDKBVQMSFO-HHHXNRCGSA-N 0 0 467.658 4.893 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(C)C)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361184399 1066507531 /nfs/dbraw/zinc/50/75/31/1066507531.db2.gz IYVVSUAMUJERFQ-INIZCTEOSA-N 0 0 457.363 4.923 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361184438 1066507646 /nfs/dbraw/zinc/50/76/46/1066507646.db2.gz KCTDLUVTRXUKTE-MRXNPFEDSA-N 0 0 450.461 4.656 20 0 JJADRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001444810096 1066507727 /nfs/dbraw/zinc/50/77/27/1066507727.db2.gz TXCDICDWPDQHFU-HKUYNNGSSA-N 0 0 450.398 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC2CC2)cc1Br ZINC001361184436 1066507768 /nfs/dbraw/zinc/50/77/68/1066507768.db2.gz KBJFATHPBPFVBN-UHFFFAOYSA-N 0 0 463.420 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccccc2OC(C)C)o1 ZINC001361184739 1066508087 /nfs/dbraw/zinc/50/80/87/1066508087.db2.gz SBTSYQAYGVMMQX-UHFFFAOYSA-N 0 0 454.571 4.517 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2C[C@](C)(O)CCC(C)C)cc1Br ZINC001361184708 1066508161 /nfs/dbraw/zinc/50/81/61/1066508161.db2.gz RFVSIIPAMADEOM-WZONZLPQSA-N 0 0 479.463 4.676 20 0 JJADRN O=C(NCCCc1cccc(F)c1)c1cc(I)cc(C(F)(F)F)c1 ZINC001456093732 1066508145 /nfs/dbraw/zinc/50/81/45/1066508145.db2.gz GLAZFUDMBXOEPJ-UHFFFAOYSA-N 0 0 451.201 4.812 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 ZINC001456095011 1066508278 /nfs/dbraw/zinc/50/82/78/1066508278.db2.gz IZQINNRFXCGUGO-LHSJRXKWSA-N 0 0 451.614 4.841 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811406 1066508174 /nfs/dbraw/zinc/50/81/74/1066508174.db2.gz NYKHMXYHRPICBU-RBUKOAKNSA-N 0 0 450.601 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)C1 ZINC001456095754 1066508719 /nfs/dbraw/zinc/50/87/19/1066508719.db2.gz AGFVYLWYNCMNDN-KRWDZBQOSA-N 0 0 459.493 4.514 20 0 JJADRN CC(C)(C)n1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(-c2ccc(F)cc2F)n1 ZINC001456097924 1066508916 /nfs/dbraw/zinc/50/89/16/1066508916.db2.gz AAONLPQMFORNAX-UHFFFAOYSA-N 0 0 454.521 4.668 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001361185650 1066509077 /nfs/dbraw/zinc/50/90/77/1066509077.db2.gz JCWSKKNATSUSMP-UHFFFAOYSA-N 0 0 452.595 4.956 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C1CC1 ZINC001456100265 1066509348 /nfs/dbraw/zinc/50/93/48/1066509348.db2.gz AUVOTQNEKVJEEW-KXBFYZLASA-N 0 0 450.362 4.926 20 0 JJADRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCOc2cccc(I)c2)C1 ZINC001444819546 1066509303 /nfs/dbraw/zinc/50/93/03/1066509303.db2.gz UYNVPSJDCGWRRR-LIRRHRJNSA-N 0 0 453.295 4.809 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCOCC2)C1 ZINC001546079390 1066509433 /nfs/dbraw/zinc/50/94/33/1066509433.db2.gz LDXNWTCLLPNKBI-HSZRJFAPSA-N 0 0 464.079 4.573 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)[C@H](C)C2)cc1C ZINC001361186279 1066509611 /nfs/dbraw/zinc/50/96/11/1066509611.db2.gz PXQGQRIRKHVUAD-IFMALSPDSA-N 0 0 454.014 4.546 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSC(C)C)C1 ZINC001546079451 1066509833 /nfs/dbraw/zinc/50/98/33/1066509833.db2.gz MRNOHDDPHXGGGZ-IXFSTUDKSA-N 0 0 451.681 4.817 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545969565 1066509959 /nfs/dbraw/zinc/50/99/59/1066509959.db2.gz ZRXICVJXROBYOE-SJORKVTESA-N 0 0 464.010 4.517 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)C1 ZINC001361186627 1066510118 /nfs/dbraw/zinc/51/01/18/1066510118.db2.gz YRNHJLDRXZMALQ-KRWDZBQOSA-N 0 0 457.537 4.577 20 0 JJADRN Cn1ccnc1[C@@H](CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)C(F)(F)F ZINC001444831084 1066510465 /nfs/dbraw/zinc/51/04/65/1066510465.db2.gz YCXPPVASABHQND-OAHLLOKOSA-N 0 0 451.411 4.969 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)Nc3nnc(Cc4ccc(F)cc4)s3)cs2)cc1 ZINC001456105201 1066510498 /nfs/dbraw/zinc/51/04/98/1066510498.db2.gz NCGCMHQFBXWCKD-UHFFFAOYSA-N 0 0 454.552 4.971 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)c1C(F)(F)F ZINC001361186811 1066510470 /nfs/dbraw/zinc/51/04/70/1066510470.db2.gz WYJTVJMHQWNPCM-HOTGVXAUSA-N 0 0 459.468 4.990 20 0 JJADRN CC1(N(Cc2ccc3c(c2)OCO3)C(=O)CCCNC(=O)OCc2ccccc2)CCCC1 ZINC001456103920 1066510618 /nfs/dbraw/zinc/51/06/18/1066510618.db2.gz LKJBEQVJHFKCDM-UHFFFAOYSA-N 0 0 452.551 4.783 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001444838720 1066510942 /nfs/dbraw/zinc/51/09/42/1066510942.db2.gz ITRYILRJLQMFIK-QFIPXVFZSA-N 0 0 451.391 4.724 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001444838500 1066511009 /nfs/dbraw/zinc/51/10/09/1066511009.db2.gz IKHOGEGERAXTIP-FQEVSTJZSA-N 0 0 458.864 4.867 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(I)ccc1Br)c1ccccn1 ZINC001456107673 1066510918 /nfs/dbraw/zinc/51/09/18/1066510918.db2.gz RNKOLFTVENPPPI-OAHLLOKOSA-N 0 0 459.125 4.720 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361187143 1066510917 /nfs/dbraw/zinc/51/09/17/1066510917.db2.gz HEKMESLDXDPWEY-FUHWJXTLSA-N 0 0 486.642 4.627 20 0 JJADRN CC(C)(C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001456108459 1066510966 /nfs/dbraw/zinc/51/09/66/1066510966.db2.gz TUDDKTUIJXNZPF-UHFFFAOYSA-N 0 0 456.951 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2CC2(O)CCCCCC2)cc1Br ZINC001361187261 1066511468 /nfs/dbraw/zinc/51/14/68/1066511468.db2.gz KQTLVYGMDYMIEX-UHFFFAOYSA-N 0 0 479.463 4.700 20 0 JJADRN COc1ccc(CN(C(=O)c2nscc2Br)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001456111322 1066511561 /nfs/dbraw/zinc/51/15/61/1066511561.db2.gz OUXXTNPDQBHSJZ-UHFFFAOYSA-N 0 0 457.353 4.946 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001444846804 1066511557 /nfs/dbraw/zinc/51/15/57/1066511557.db2.gz RORMEONEKGKBRO-QLFBSQMISA-N 0 0 451.316 4.746 20 0 JJADRN O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(Cl)nc(C2CC2)c1 ZINC001444849647 1066511918 /nfs/dbraw/zinc/51/19/18/1066511918.db2.gz OIHHJQSSFHOUGI-KRWDZBQOSA-N 0 0 452.782 4.811 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC001444849807 1066512074 /nfs/dbraw/zinc/51/20/74/1066512074.db2.gz WSNGOYOGZZGDMC-HXUWFJFHSA-N 0 0 454.533 4.909 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)[C@H]1c1ccccc1 ZINC001444850237 1066512102 /nfs/dbraw/zinc/51/21/02/1066512102.db2.gz AONIAZIPYLIHRJ-FQELHTAISA-N 0 0 459.359 4.660 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001456114740 1066512150 /nfs/dbraw/zinc/51/21/50/1066512150.db2.gz DJEPKEFQNGAXME-UHFFFAOYSA-N 0 0 456.424 4.961 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCO[C@@H]2CCOC2)C1 ZINC001546079573 1066512485 /nfs/dbraw/zinc/51/24/85/1066512485.db2.gz PEJGCFNFGAFQAN-KCWPFWIISA-N 0 0 470.658 4.977 20 0 JJADRN CCOC(=O)[C@H](CC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C)C(C)=O ZINC001444850524 1066512527 /nfs/dbraw/zinc/51/25/27/1066512527.db2.gz BHPUPGJWBXMCTH-LJQANCHMSA-N 0 0 453.514 4.829 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccccc3F)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361187507 1066512610 /nfs/dbraw/zinc/51/26/10/1066512610.db2.gz UXMKCEPPAGOVHE-VWLOTQADSA-N 0 0 452.530 4.782 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cnn(CC3CC3)c2)c1 ZINC001444852792 1066512714 /nfs/dbraw/zinc/51/27/14/1066512714.db2.gz GAJZZAMAOPGSLY-UHFFFAOYSA-N 0 0 452.580 4.541 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361188145 1066512955 /nfs/dbraw/zinc/51/29/55/1066512955.db2.gz LMNWKQRLWBBQHY-UHFFFAOYSA-N 0 0 469.586 4.619 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@H](C)c2nccs2)cc1Br ZINC001361187768 1066513030 /nfs/dbraw/zinc/51/30/30/1066513030.db2.gz GDKDOPUFWBKWPU-INIZCTEOSA-N 0 0 486.443 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361187848 1066513042 /nfs/dbraw/zinc/51/30/42/1066513042.db2.gz INTRETFPUMDNCC-NSHGMRRFSA-N 0 0 490.490 4.608 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361187849 1066513176 /nfs/dbraw/zinc/51/31/76/1066513176.db2.gz INTRETFPUMDNCC-WSTZPKSXSA-N 0 0 490.490 4.608 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001444853721 1066513161 /nfs/dbraw/zinc/51/31/61/1066513161.db2.gz PPVWKWJSXDFHSO-APPDUMDISA-N 0 0 455.782 4.692 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCc2cnn(C)n2)C1 ZINC001546079659 1066513554 /nfs/dbraw/zinc/51/35/54/1066513554.db2.gz RCABYXXQLHYTHR-QFIPXVFZSA-N 0 0 478.428 4.552 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@H]2CC[C@H](C)C2)cc1Br ZINC001361188155 1066513607 /nfs/dbraw/zinc/51/36/07/1066513607.db2.gz MBIHAZBZXAVNRM-WMZOPIPTSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@H]2CC[C@@H](C)C2)cc1Br ZINC001361188152 1066513793 /nfs/dbraw/zinc/51/37/93/1066513793.db2.gz MBIHAZBZXAVNRM-AEFFLSMTSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1 ZINC001361188496 1066514027 /nfs/dbraw/zinc/51/40/27/1066514027.db2.gz JTUNAALCAIBHTD-CEQIKUNHSA-N 0 0 450.348 4.948 20 0 JJADRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC001444858663 1066514031 /nfs/dbraw/zinc/51/40/31/1066514031.db2.gz QZFSXFKAUDKFML-FCHUYYIVSA-N 0 0 454.567 4.851 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2csc(N3CCCCC3)n2)cc1 ZINC001456119985 1066514092 /nfs/dbraw/zinc/51/40/92/1066514092.db2.gz MXKSUDFMXHTVMM-UHFFFAOYSA-N 0 0 451.592 4.993 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC001456120068 1066514103 /nfs/dbraw/zinc/51/41/03/1066514103.db2.gz YKIZTERBSKIKME-LJQANCHMSA-N 0 0 452.295 4.506 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001444859326 1066514241 /nfs/dbraw/zinc/51/42/41/1066514241.db2.gz UZVGJHGKTNRPCV-YLJYHZDGSA-N 0 0 459.587 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC001361189743 1066515125 /nfs/dbraw/zinc/51/51/25/1066515125.db2.gz LPOBVYGUENBNPG-SFHVURJKSA-N 0 0 458.427 4.908 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cc(F)c(Br)cc1F)C2 ZINC001456124721 1066515248 /nfs/dbraw/zinc/51/52/48/1066515248.db2.gz AJSCUUSTWSXQMG-HXUWFJFHSA-N 0 0 459.331 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)COCCc2ccccc2)C1 ZINC001456125312 1066515293 /nfs/dbraw/zinc/51/52/93/1066515293.db2.gz TUFACXLRZVWZGU-XMMPIXPASA-N 0 0 452.595 4.674 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001456128232 1066516196 /nfs/dbraw/zinc/51/61/96/1066516196.db2.gz YXUZLBIJMQEHGK-UHFFFAOYSA-N 0 0 452.274 4.968 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)c3cn(-c4ccccc4Br)nn3)c(C)c2c1 ZINC001456128005 1066516298 /nfs/dbraw/zinc/51/62/98/1066516298.db2.gz XBYCBDPXFNLXKG-CYBMUJFWSA-N 0 0 455.312 4.584 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444890920 1066516441 /nfs/dbraw/zinc/51/64/41/1066516441.db2.gz NGJJFPPJWSHKPL-UHFFFAOYSA-N 0 0 458.465 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCCNC(=O)C2CCC2)o1 ZINC001361190949 1066516816 /nfs/dbraw/zinc/51/68/16/1066516816.db2.gz CAPZSLGVJNHLOS-UHFFFAOYSA-N 0 0 453.562 4.707 20 0 JJADRN Nc1c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cnn1-c1ccccn1 ZINC001444897333 1066517112 /nfs/dbraw/zinc/51/71/12/1066517112.db2.gz KAYJOIXPEUNSAP-UHFFFAOYSA-N 0 0 453.424 4.591 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@H]2OC)C1 ZINC001546079806 1066517196 /nfs/dbraw/zinc/51/71/96/1066517196.db2.gz UEACBMIVOYEGRM-UVPKRVSESA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1ccc(OCc3ccccc3)nc1)C2 ZINC001456131189 1066517378 /nfs/dbraw/zinc/51/73/78/1066517378.db2.gz NYRSMNNITHRXDC-SANMLTNESA-N 0 0 451.567 4.666 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1OC ZINC001444910390 1066517699 /nfs/dbraw/zinc/51/76/99/1066517699.db2.gz TVBFWRYCPOMYNK-UMVBOHGHSA-N 0 0 450.457 4.808 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001456132285 1066517894 /nfs/dbraw/zinc/51/78/94/1066517894.db2.gz YRBXBHDPBWBYEH-PKOBYXMFSA-N 0 0 463.582 4.541 20 0 JJADRN Cc1ccc(-c2nnc(N(CC3CC3)CC3CCC3)n2CCCC(=O)N(C)C)cc1Br ZINC001361191444 1066518025 /nfs/dbraw/zinc/51/80/25/1066518025.db2.gz UAHSGRYUNCQBBR-UHFFFAOYSA-N 0 0 488.474 4.901 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC001444919211 1066518299 /nfs/dbraw/zinc/51/82/99/1066518299.db2.gz QYJGWXKSUNHVBH-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001444925202 1066518308 /nfs/dbraw/zinc/51/83/08/1066518308.db2.gz UPFXDSTZXXBQJB-KRWDZBQOSA-N 0 0 451.954 4.527 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)o1 ZINC001361191499 1066518186 /nfs/dbraw/zinc/51/81/86/1066518186.db2.gz VNUMLNDKTVBQPN-UHFFFAOYSA-N 0 0 493.633 4.838 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccc(F)c3)C(C)C)n2Cc2ncnn2C(C)(C)C)o1 ZINC001361191415 1066518237 /nfs/dbraw/zinc/51/82/37/1066518237.db2.gz SESXWPFTLRVJHQ-UHFFFAOYSA-N 0 0 451.550 4.795 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)NC(=O)OC(C)(C)C ZINC001444927576 1066518824 /nfs/dbraw/zinc/51/88/24/1066518824.db2.gz AYQRFSJKBFIORJ-CQSZACIVSA-N 0 0 459.465 4.564 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ncccc1Br)C1CC1 ZINC001456138763 1066519242 /nfs/dbraw/zinc/51/92/42/1066519242.db2.gz PTGPTLWQLGLOKZ-UHFFFAOYSA-N 0 0 454.162 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)cc2C1 ZINC001456137791 1066519286 /nfs/dbraw/zinc/51/92/86/1066519286.db2.gz MOWBBRCSXFKQHW-HXUWFJFHSA-N 0 0 456.514 4.887 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccnc(N2CC[C@H](C)C2)c1)C1CC1 ZINC001456138385 1066519294 /nfs/dbraw/zinc/51/92/94/1066519294.db2.gz OKQIMRIRTXTVEK-INIZCTEOSA-N 0 0 458.400 4.894 20 0 JJADRN C[C@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)[C@@H]1CNC(=O)OC(C)(C)C ZINC001361192458 1066519389 /nfs/dbraw/zinc/51/93/89/1066519389.db2.gz IFQOJBWJFOJVKU-MGPUTAFESA-N 0 0 459.974 4.873 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)Nc3ccc4c(c3)N(C)C(=O)C(C)(C)CO4)cc21 ZINC001456139968 1066519785 /nfs/dbraw/zinc/51/97/85/1066519785.db2.gz PFBRVVGRSLXZKR-UHFFFAOYSA-N 0 0 456.340 4.873 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC001456140099 1066519795 /nfs/dbraw/zinc/51/97/95/1066519795.db2.gz VIZVSNFPSKPIMK-VQTJNVASSA-N 0 0 458.530 4.978 20 0 JJADRN O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001444937933 1066519882 /nfs/dbraw/zinc/51/98/82/1066519882.db2.gz UAUMDFCANUHXRS-UHFFFAOYSA-N 0 0 454.324 4.550 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001444936133 1066519990 /nfs/dbraw/zinc/51/99/90/1066519990.db2.gz PPFOLJACSOASST-OTWHNJEPSA-N 0 0 453.421 4.950 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)Cc1cccc(OCc2cccnc2)c1)NC(=O)OC(C)(C)C ZINC001444938279 1066520045 /nfs/dbraw/zinc/52/00/45/1066520045.db2.gz VMXOPMVUIKBOII-QHCPKHFHSA-N 0 0 455.599 4.601 20 0 JJADRN COc1ccsc1C(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456141089 1066520245 /nfs/dbraw/zinc/52/02/45/1066520245.db2.gz CJVJOCSVUQZJGH-DLBZAZTESA-N 0 0 458.580 4.527 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccccc3)n2Cc2sccc2Br)o1 ZINC001361194224 1066520551 /nfs/dbraw/zinc/52/05/51/1066520551.db2.gz HNPKWVSAGVDHKJ-UHFFFAOYSA-N 0 0 473.396 4.718 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2C[C@H]2CCCSC2)o1 ZINC001361194046 1066520716 /nfs/dbraw/zinc/52/07/16/1066520716.db2.gz CPYHPLJPLZQODM-OAHLLOKOSA-N 0 0 497.484 4.813 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001546080022 1066520731 /nfs/dbraw/zinc/52/07/31/1066520731.db2.gz YYPYPOLWSHAWJU-HHHXNRCGSA-N 0 0 499.656 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2ccc(F)cn2)cc1Br ZINC001361194682 1066521037 /nfs/dbraw/zinc/52/10/37/1066521037.db2.gz UMQCJYQKPMRDNR-HNNXBMFYSA-N 0 0 474.378 4.602 20 0 JJADRN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2I)C1 ZINC001456145665 1066521052 /nfs/dbraw/zinc/52/10/52/1066521052.db2.gz AQTBJBDUUBUWJH-AAEUAGOBSA-N 0 0 450.158 4.998 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(OC2CCCC2)c1 ZINC001444947224 1066521074 /nfs/dbraw/zinc/52/10/74/1066521074.db2.gz RGWVVEQUBBKHRY-UHFFFAOYSA-N 0 0 450.560 4.739 20 0 JJADRN CCCN(C(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456147299 1066521500 /nfs/dbraw/zinc/52/15/00/1066521500.db2.gz UTBDEDDMMPFXCJ-AWEZNQCLSA-N 0 0 451.926 4.996 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001456146843 1066521556 /nfs/dbraw/zinc/52/15/56/1066521556.db2.gz RZJBYCNAZSGKHY-KRWDZBQOSA-N 0 0 458.400 4.985 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC001456146542 1066521605 /nfs/dbraw/zinc/52/16/05/1066521605.db2.gz JYMJTIOZDMDAMV-NSHDSACASA-N 0 0 452.960 4.806 20 0 JJADRN Cc1cc(-c2csc(NC(=O)CNC(=O)Cc3cccc4ccccc43)n2)c(F)cc1F ZINC001444951123 1066521623 /nfs/dbraw/zinc/52/16/23/1066521623.db2.gz DGIPGKDHBTZKFP-UHFFFAOYSA-N 0 0 451.498 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCCC(=O)N(C)C)cc1Br ZINC001361195544 1066522014 /nfs/dbraw/zinc/52/20/14/1066522014.db2.gz CPSDDQSUIISZIO-RDJZCZTQSA-N 0 0 462.436 4.509 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1sc2ncccc2c1Cl ZINC001444953741 1066522156 /nfs/dbraw/zinc/52/21/56/1066522156.db2.gz OFUCOCWEQSGXPC-UHFFFAOYSA-N 0 0 457.964 4.681 20 0 JJADRN C[C@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001456149130 1066522407 /nfs/dbraw/zinc/52/24/07/1066522407.db2.gz KRKLAYZXQRCJKO-REWPJTCUSA-N 0 0 450.583 4.564 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC[C@H]2COCCO2)cc1Br ZINC001361195535 1066522159 /nfs/dbraw/zinc/52/21/59/1066522159.db2.gz CNQRHBMILFBTTH-LPHOPBHVSA-N 0 0 477.447 4.694 20 0 JJADRN Nc1cc(I)ccc1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001444958256 1066522390 /nfs/dbraw/zinc/52/23/90/1066522390.db2.gz OIFMGJQKFLSOBF-GOSISDBHSA-N 0 0 456.327 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC001361195674 1066522406 /nfs/dbraw/zinc/52/24/06/1066522406.db2.gz DRYBJSSRFOIHQU-QGZVFWFLSA-N 0 0 478.515 4.977 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001456149191 1066522522 /nfs/dbraw/zinc/52/25/22/1066522522.db2.gz SSRVXVBRCCFRCV-KRWDZBQOSA-N 0 0 450.580 4.782 20 0 JJADRN C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001456149122 1066522560 /nfs/dbraw/zinc/52/25/60/1066522560.db2.gz KRKLAYZXQRCJKO-NFBKMPQASA-N 0 0 450.583 4.564 20 0 JJADRN O=C(COc1ccc(F)cc1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001456150060 1066522871 /nfs/dbraw/zinc/52/28/71/1066522871.db2.gz OJVGJDWKRWBRKA-DEOSSOPVSA-N 0 0 453.558 4.920 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC001456149583 1066522923 /nfs/dbraw/zinc/52/29/23/1066522923.db2.gz PNMGQWBXNRDIKO-LBPRGKRZSA-N 0 0 450.532 4.681 20 0 JJADRN O=Cc1ccc(OCC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(Br)c1 ZINC001444963986 1066523390 /nfs/dbraw/zinc/52/33/90/1066523390.db2.gz YHSWFSUSGBWDCO-NRFANRHFSA-N 0 0 452.348 4.783 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCC(C)C)C1)Oc1ccccc1F ZINC001545970802 1066523509 /nfs/dbraw/zinc/52/35/09/1066523509.db2.gz MHSPRDREJWDGAJ-VQTJNVASSA-N 0 0 453.562 4.588 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC001545970935 1066523900 /nfs/dbraw/zinc/52/39/00/1066523900.db2.gz OWLUNBIWRJYIOL-QFIPXVFZSA-N 0 0 487.608 4.828 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1)NC(=O)OC(C)(C)C ZINC001545970842 1066523957 /nfs/dbraw/zinc/52/39/57/1066523957.db2.gz MVFYOLZJCKBRKT-IBGZPJMESA-N 0 0 482.604 4.852 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001456152212 1066524073 /nfs/dbraw/zinc/52/40/73/1066524073.db2.gz OUKIBRBREXUEKV-LJQANCHMSA-N 0 0 457.914 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCCCn2cc(Br)cn2)o1 ZINC001361196393 1066524116 /nfs/dbraw/zinc/52/41/16/1066524116.db2.gz PDZILXNVBKLQMG-HZPDHXFCSA-N 0 0 479.448 4.616 20 0 JJADRN O=C(Nc1cc(C(=O)NCc2sncc2Br)ccc1Cl)c1cccs1 ZINC001456152191 1066524124 /nfs/dbraw/zinc/52/41/24/1066524124.db2.gz KIQCUVGXNHWJGP-UHFFFAOYSA-N 0 0 456.774 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCC2(O)CCC2)cc1Br ZINC001361196607 1066524369 /nfs/dbraw/zinc/52/43/69/1066524369.db2.gz SIMUMHZKGDCURZ-IYBDPMFKSA-N 0 0 465.461 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCC2(O)CCC2)cc1Br ZINC001361196605 1066524383 /nfs/dbraw/zinc/52/43/83/1066524383.db2.gz SIMUMHZKGDCURZ-HOTGVXAUSA-N 0 0 465.461 4.651 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001444970670 1066524628 /nfs/dbraw/zinc/52/46/28/1066524628.db2.gz AYNWLZJLFQHKLE-NOZRDPDXSA-N 0 0 450.485 4.799 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CCCS2)cc1Br ZINC001361196916 1066524835 /nfs/dbraw/zinc/52/48/35/1066524835.db2.gz VVUNUKMIVQDHTK-YQQAZPJKSA-N 0 0 451.434 4.525 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)no2)cc1 ZINC001456156134 1066524900 /nfs/dbraw/zinc/52/49/00/1066524900.db2.gz DZXUJEWSMHMIRQ-OAQYLSRUSA-N 0 0 459.905 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccsc2Br)o1 ZINC001361196888 1066524954 /nfs/dbraw/zinc/52/49/54/1066524954.db2.gz VOKWUKDNESCGGI-SMDDNHRTSA-N 0 0 491.333 4.875 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)Cc2cccs2)o1 ZINC001361196829 1066525023 /nfs/dbraw/zinc/52/50/23/1066525023.db2.gz USURYGXMFBMGBO-YEWWUXTCSA-N 0 0 454.518 4.943 20 0 JJADRN C[C@@H](c1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1)N1CCOCC1 ZINC001456156337 1066525206 /nfs/dbraw/zinc/52/52/06/1066525206.db2.gz HANXYFHZBQDQOA-HNNXBMFYSA-N 0 0 456.340 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCNC(=O)C(C)C)cc1Br ZINC001361196977 1066525411 /nfs/dbraw/zinc/52/54/11/1066525411.db2.gz WQVCQQJEGVVBJV-IAGOWNOFSA-N 0 0 476.463 4.661 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC001456157533 1066525810 /nfs/dbraw/zinc/52/58/10/1066525810.db2.gz NGJXVLJCLKSFOJ-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C)COCc2ccccc2)o1 ZINC001361197895 1066525915 /nfs/dbraw/zinc/52/59/15/1066525915.db2.gz AQJKLGBYJCWNPJ-OAQYLSRUSA-N 0 0 493.652 4.783 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc4c(ccc(Br)c4C)[nH]3)ccc2NC1=O ZINC001444981728 1066526131 /nfs/dbraw/zinc/52/61/31/1066526131.db2.gz AZQWRGJDHKGGOC-BUXKBTBVSA-N 0 0 456.340 4.839 20 0 JJADRN COC[C@]1(C(=O)NCc2ccccc2Oc2ccc(C)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456160010 1066526179 /nfs/dbraw/zinc/52/61/79/1066526179.db2.gz WLJXGUORPKYONU-SANMLTNESA-N 0 0 454.567 4.677 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCc2c(F)cccc2F)o1 ZINC001361198071 1066526251 /nfs/dbraw/zinc/52/62/51/1066526251.db2.gz HSOYCPLRNLTMEO-GOSISDBHSA-N 0 0 485.579 4.745 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C12CCCCC2 ZINC001444988020 1066526370 /nfs/dbraw/zinc/52/63/70/1066526370.db2.gz AEXRRZOIKLDIAL-VAMGGRTRSA-N 0 0 452.636 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3Cc4ccccc4O[C@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361198218 1066526834 /nfs/dbraw/zinc/52/68/34/1066526834.db2.gz LQNBHBYUEXRFBK-PKOBYXMFSA-N 0 0 481.597 4.889 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2[C@@H]2C[C@H]2C)cc1Br ZINC001361198170 1066526951 /nfs/dbraw/zinc/52/69/51/1066526951.db2.gz KOUKBWVYVRXBMV-MLGOLLRUSA-N 0 0 471.321 4.945 20 0 JJADRN CCc1cnc(CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)s1 ZINC001444992183 1066526975 /nfs/dbraw/zinc/52/69/75/1066526975.db2.gz CWZPMSFONXBJBH-UHFFFAOYSA-N 0 0 454.905 4.982 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001444989316 1066527102 /nfs/dbraw/zinc/52/71/02/1066527102.db2.gz VWVANOGAOISOKH-GFCCVEGCSA-N 0 0 451.741 4.649 20 0 JJADRN O=C(NCc1ccc(F)nc1Br)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001456165730 1066527112 /nfs/dbraw/zinc/52/71/12/1066527112.db2.gz PCKYBGZEEJUZPG-GOSISDBHSA-N 0 0 451.242 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361198439 1066527374 /nfs/dbraw/zinc/52/73/74/1066527374.db2.gz RIGSQXWLEGBCMD-MHZLTWQESA-N 0 0 485.673 4.699 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC(F)(F)c2ccccc2)o1 ZINC001361198306 1066527392 /nfs/dbraw/zinc/52/73/92/1066527392.db2.gz NXFKMOSPLYLGQM-UHFFFAOYSA-N 0 0 471.552 4.722 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)ccc2NC1=O ZINC001444992419 1066527505 /nfs/dbraw/zinc/52/75/05/1066527505.db2.gz VXNICTHJQISDIZ-RNCFNFMXSA-N 0 0 459.515 4.593 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](CO)c3ccccc3C(F)(F)F)c2c1C ZINC001456168988 1066527571 /nfs/dbraw/zinc/52/75/71/1066527571.db2.gz DRVIEAZEMNULNQ-HNNXBMFYSA-N 0 0 455.527 4.577 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@H](CO)c3ccccc3C(F)(F)F)c2c1C ZINC001456168996 1066527587 /nfs/dbraw/zinc/52/75/87/1066527587.db2.gz DRVIEAZEMNULNQ-OAHLLOKOSA-N 0 0 455.527 4.577 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CCS1 ZINC001444993304 1066527589 /nfs/dbraw/zinc/52/75/89/1066527589.db2.gz UOKHHCZKCXRRIZ-KRWDZBQOSA-N 0 0 459.662 4.897 20 0 JJADRN CCCN(C(=O)c1c(Br)nc2n1CCCC2)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001444994050 1066527619 /nfs/dbraw/zinc/52/76/19/1066527619.db2.gz FXXYMXILYWXPHE-IAGOWNOFSA-N 0 0 452.437 4.962 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)Sc1ccccc1 ZINC001444993555 1066527826 /nfs/dbraw/zinc/52/78/26/1066527826.db2.gz DYAGMHUOCIRUFZ-VMRPVKRXSA-N 0 0 450.526 4.912 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2ccnc2C)o1 ZINC001361199181 1066528151 /nfs/dbraw/zinc/52/81/51/1066528151.db2.gz ACERESVVUXIIFF-CTNGQTDRSA-N 0 0 497.644 4.571 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1(C)C ZINC001444997623 1066528329 /nfs/dbraw/zinc/52/83/29/1066528329.db2.gz KLLPXDAQIPISCO-LSDHHAIUSA-N 0 0 450.992 4.660 20 0 JJADRN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC001456173249 1066528539 /nfs/dbraw/zinc/52/85/39/1066528539.db2.gz UBIYTNPHDABDLS-XMMPIXPASA-N 0 0 451.636 4.504 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2ccc(C)c(F)c2)o1 ZINC001361200122 1066529445 /nfs/dbraw/zinc/52/94/45/1066529445.db2.gz OAXGRSAFUJJMRQ-LJQANCHMSA-N 0 0 453.562 4.596 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001456176188 1066529546 /nfs/dbraw/zinc/52/95/46/1066529546.db2.gz VHFSYOHXRVJSTB-HSZRJFAPSA-N 0 0 455.961 4.918 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1Cl ZINC001456176778 1066529583 /nfs/dbraw/zinc/52/95/83/1066529583.db2.gz HZFZKEUUVALYHP-ZDUSSCGKSA-N 0 0 458.049 4.616 20 0 JJADRN COCCOCc1ccc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1 ZINC001456176826 1066529599 /nfs/dbraw/zinc/52/95/99/1066529599.db2.gz GTVJGZSZWHCEKL-LJQANCHMSA-N 0 0 450.398 4.921 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC001445007705 1066529474 /nfs/dbraw/zinc/52/94/74/1066529474.db2.gz IPKZKNBKPBBBIN-OAHLLOKOSA-N 0 0 457.880 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361200207 1066529923 /nfs/dbraw/zinc/52/99/23/1066529923.db2.gz PPKAOAADCCGMCT-VPWXQRGCSA-N 0 0 498.628 4.995 20 0 JJADRN CCNC(=O)NCc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 ZINC001445019456 1066529919 /nfs/dbraw/zinc/52/99/19/1066529919.db2.gz RUTUDLWXCCSYJP-UHFFFAOYSA-N 0 0 455.518 4.783 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CCc3c2cccc3C)nnn1Cc1cccc(Br)c1 ZINC001456177543 1066530025 /nfs/dbraw/zinc/53/00/25/1066530025.db2.gz ZLMDJGTVXAHMRO-HXUWFJFHSA-N 0 0 453.384 4.767 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCCOC[C@H]2CCOC2)o1 ZINC001361200384 1066530358 /nfs/dbraw/zinc/53/03/58/1066530358.db2.gz UZHCQUBJQADMDF-OAHLLOKOSA-N 0 0 496.452 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001445025550 1066530411 /nfs/dbraw/zinc/53/04/11/1066530411.db2.gz GQDOPQRJQKNHTN-ZNMIVQPWSA-N 0 0 463.294 4.909 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)no1 ZINC001361201147 1066530844 /nfs/dbraw/zinc/53/08/44/1066530844.db2.gz RHXOSTNYKPJNSG-IBGZPJMESA-N 0 0 452.942 4.514 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1nc2ccccc2n1CCC(C)C)c1cccc(Br)c1 ZINC001361200568 1066530944 /nfs/dbraw/zinc/53/09/44/1066530944.db2.gz AFRVRRDBTQDPFY-FQEVSTJZSA-N 0 0 457.372 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361200519 1066530991 /nfs/dbraw/zinc/53/09/91/1066530991.db2.gz YWSGYTCVVJHIDL-INIZCTEOSA-N 0 0 467.561 4.879 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc3ccccc32)C1 ZINC001445028742 1066531106 /nfs/dbraw/zinc/53/11/06/1066531106.db2.gz AACQHNFNIMPZDY-HKUYNNGSSA-N 0 0 450.501 4.647 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)nn1-c1ccccc1F ZINC001456179765 1066531073 /nfs/dbraw/zinc/53/10/73/1066531073.db2.gz QKUAVHDTEIMBAB-UHFFFAOYSA-N 0 0 455.921 4.501 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1C)NC(N)=O ZINC001456181431 1066531363 /nfs/dbraw/zinc/53/13/63/1066531363.db2.gz UKZKQPIAJKTNTP-INIZCTEOSA-N 0 0 458.278 4.823 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001456181732 1066531548 /nfs/dbraw/zinc/53/15/48/1066531548.db2.gz WDOLYFDPNXPNPL-XXBNENTESA-N 0 0 459.631 4.882 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(C)CC1 ZINC001361201926 1066531781 /nfs/dbraw/zinc/53/17/81/1066531781.db2.gz JZOOAHRLNDYMHZ-UHFFFAOYSA-N 0 0 461.433 4.851 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C3)n2C[C@@](C)(O)c2cccs2)cc1Br ZINC001361201744 1066531798 /nfs/dbraw/zinc/53/17/98/1066531798.db2.gz ILCMJUIALZUMFP-LHSJRXKWSA-N 0 0 461.429 4.831 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2ccc(OCC(F)(F)F)cn2)c1 ZINC001456186500 1066532371 /nfs/dbraw/zinc/53/23/71/1066532371.db2.gz VRNNFDOEUWSGQS-UHFFFAOYSA-N 0 0 457.452 4.925 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc3c(Cl)cccc3nc2C)C1 ZINC001445041255 1066532522 /nfs/dbraw/zinc/53/25/22/1066532522.db2.gz SNORCLZLHGGFAL-OAHLLOKOSA-N 0 0 455.908 4.850 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cs1 ZINC001445042207 1066532534 /nfs/dbraw/zinc/53/25/34/1066532534.db2.gz BYCFKLVCBXUSKO-WOJBJXKFSA-N 0 0 459.656 4.784 20 0 JJADRN CS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)C1 ZINC001445041404 1066532673 /nfs/dbraw/zinc/53/26/73/1066532673.db2.gz SZVPRNSBMKCLBS-KGLIPLIRSA-N 0 0 451.386 4.675 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2ccccc2OCc2ccncc2)c1 ZINC001456188526 1066532874 /nfs/dbraw/zinc/53/28/74/1066532874.db2.gz OHZUDWDJQHFPCH-UHFFFAOYSA-N 0 0 452.576 4.555 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ccccc4CO)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361203135 1066533325 /nfs/dbraw/zinc/53/33/25/1066533325.db2.gz XRMUOWRNXWJBEB-GOSISDBHSA-N 0 0 495.624 4.636 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cccc(Br)c1OC ZINC001361203600 1066533651 /nfs/dbraw/zinc/53/36/51/1066533651.db2.gz WSEDDPQNYZRGOR-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN Cc1ccc(S[C@H](C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c2ccccc2)c(C)c1 ZINC001546080618 1066533669 /nfs/dbraw/zinc/53/36/69/1066533669.db2.gz WOUKVAKMKHZHSV-QHCPKHFHSA-N 0 0 455.601 4.542 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccnc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456192030 1066533924 /nfs/dbraw/zinc/53/39/24/1066533924.db2.gz HLLJLALYGPLIRD-YICOQCBLSA-N 0 0 454.014 4.760 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)c2cc3c(ncnc3N(C)C)n2C)C(C)C)cc1 ZINC001445052632 1066534174 /nfs/dbraw/zinc/53/41/74/1066534174.db2.gz NJHUESIOAJTRKS-UHFFFAOYSA-N 0 0 457.578 4.761 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)cc1 ZINC001456195377 1066534150 /nfs/dbraw/zinc/53/41/50/1066534150.db2.gz MRJWYAHXHAJKAN-UHFFFAOYSA-N 0 0 456.589 4.912 20 0 JJADRN CCOc1c(F)cccc1C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H](C)CC ZINC001456194980 1066534190 /nfs/dbraw/zinc/53/41/90/1066534190.db2.gz OIYHCAAMNQFIJM-YADARESESA-N 0 0 454.586 4.850 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)C/C=C/c2ccc(Br)cc2)n1 ZINC001456195405 1066534329 /nfs/dbraw/zinc/53/43/29/1066534329.db2.gz KLFWPYOENOFWKG-AATRIKPKSA-N 0 0 454.324 4.854 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)Cc1ccc2cccnc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456194653 1066534348 /nfs/dbraw/zinc/53/43/48/1066534348.db2.gz NQVYLSYDIAOQAC-LYZGTLIUSA-N 0 0 457.618 4.790 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361204293 1066534770 /nfs/dbraw/zinc/53/47/70/1066534770.db2.gz RTDQYYFLATUXQY-FQEVSTJZSA-N 0 0 473.618 4.547 20 0 JJADRN CC(C)c1nc(C(=O)NCCc2c(F)cc(O)cc2F)nn1-c1c(Cl)cccc1Cl ZINC001456197195 1066534706 /nfs/dbraw/zinc/53/47/06/1066534706.db2.gz PUWCACPAZOVDNR-UHFFFAOYSA-N 0 0 455.292 4.654 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)o1 ZINC001361204437 1066535108 /nfs/dbraw/zinc/53/51/08/1066535108.db2.gz WSVWFTDYGULFQH-RZUBCFFCSA-N 0 0 487.645 4.601 20 0 JJADRN COC(=O)CCC1(NC(=O)c2oc3ccccc3c2CSc2ncccn2)CCCCC1 ZINC001456198039 1066535166 /nfs/dbraw/zinc/53/51/66/1066535166.db2.gz VONSQVASJMTQFF-UHFFFAOYSA-N 0 0 453.564 4.901 20 0 JJADRN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001445057716 1066535389 /nfs/dbraw/zinc/53/53/89/1066535389.db2.gz NPCVGXGCAKOIKG-AWEZNQCLSA-N 0 0 455.754 4.570 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199870 1066535772 /nfs/dbraw/zinc/53/57/72/1066535772.db2.gz YYRLOGZVEWWQFI-CPJSRVTESA-N 0 0 450.627 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CCCOC2CCCC2)o1 ZINC001361205009 1066536051 /nfs/dbraw/zinc/53/60/51/1066536051.db2.gz AUGXCELSPJPBDI-UHFFFAOYSA-N 0 0 487.645 4.937 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c(OC)c1 ZINC001456200866 1066536199 /nfs/dbraw/zinc/53/61/99/1066536199.db2.gz HMHJFLXWLSJWHP-UHFFFAOYSA-N 0 0 457.958 4.647 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1CCCCN1Cc1ccncc1 ZINC001456200582 1066536260 /nfs/dbraw/zinc/53/62/60/1066536260.db2.gz YTSJUPREPLWYQC-GOSISDBHSA-N 0 0 457.199 4.822 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2ccn(C)n2)cc1Br ZINC001361205179 1066536359 /nfs/dbraw/zinc/53/63/59/1066536359.db2.gz DUTDHKRRVXHIBE-UHFFFAOYSA-N 0 0 482.213 4.697 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200377 1066536386 /nfs/dbraw/zinc/53/63/86/1066536386.db2.gz WHWRVLHSBWTMQB-TYCQWZJGSA-N 0 0 459.512 4.543 20 0 JJADRN O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC001456201330 1066536653 /nfs/dbraw/zinc/53/66/53/1066536653.db2.gz IESZPVZWKGDQLV-UHFFFAOYSA-N 0 0 455.337 4.776 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc3)o2)c1 ZINC001445081636 1066537499 /nfs/dbraw/zinc/53/74/99/1066537499.db2.gz PDEYXTYVVZCVJA-UHFFFAOYSA-N 0 0 450.539 4.745 20 0 JJADRN Cc1cccc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c1I ZINC001456205624 1066537760 /nfs/dbraw/zinc/53/77/60/1066537760.db2.gz XCJRNJKCSXNIDO-QGZVFWFLSA-N 0 0 455.311 4.962 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCSC2)o1 ZINC001361205978 1066538292 /nfs/dbraw/zinc/53/82/92/1066538292.db2.gz ZOOLHAFJZOUHMV-LJQANCHMSA-N 0 0 475.659 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361205992 1066538309 /nfs/dbraw/zinc/53/83/09/1066538309.db2.gz ZYOVBAUEIVBKHV-DNVCBOLYSA-N 0 0 484.601 4.606 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)cc2)no1 ZINC001456213718 1066538600 /nfs/dbraw/zinc/53/86/00/1066538600.db2.gz NFHYLLDQJZFLOI-UHFFFAOYSA-N 0 0 451.870 4.699 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)NC[C@@H]1CCOc2ccccc21 ZINC001456213608 1066538650 /nfs/dbraw/zinc/53/86/50/1066538650.db2.gz OUJQZSDISAFECQ-QFIPXVFZSA-N 0 0 450.579 4.936 20 0 JJADRN COC[C@H](NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001361206519 1066538794 /nfs/dbraw/zinc/53/87/94/1066538794.db2.gz PMMRLNFRYKYEME-IBGZPJMESA-N 0 0 455.311 4.647 20 0 JJADRN Cc1cc(Br)c(CC(=O)Nc2cc(Br)ccc2-n2cccn2)s1 ZINC001456214522 1066538915 /nfs/dbraw/zinc/53/89/15/1066538915.db2.gz OPEZJRUEZDJSRI-UHFFFAOYSA-N 0 0 455.175 4.948 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456214564 1066538936 /nfs/dbraw/zinc/53/89/36/1066538936.db2.gz OUDITMADHCCHPN-HNNXBMFYSA-N 0 0 450.322 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)NC4CCCCC4)CC3)n2CCCC(C)C)o1 ZINC001361207010 1066539323 /nfs/dbraw/zinc/53/93/23/1066539323.db2.gz FSFMFJWJMLDJGF-UHFFFAOYSA-N 0 0 456.635 4.883 20 0 JJADRN CC1CCC(OC2CCN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)CC2)CC1 ZINC001456217238 1066539597 /nfs/dbraw/zinc/53/95/97/1066539597.db2.gz UHBSJMLQCLANAC-LNDAIVQLSA-N 0 0 451.405 4.508 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1 ZINC001456216756 1066539612 /nfs/dbraw/zinc/53/96/12/1066539612.db2.gz ZWEXBFQQWFZTGC-UHFFFAOYSA-N 0 0 455.898 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cnn(CC(C)C)c2C)o1 ZINC001361207161 1066539648 /nfs/dbraw/zinc/53/96/48/1066539648.db2.gz LJBQTEGYLNWELZ-OAQYLSRUSA-N 0 0 497.644 4.501 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445100228 1066539789 /nfs/dbraw/zinc/53/97/89/1066539789.db2.gz XXSNYVARCYXYMY-MRXNPFEDSA-N 0 0 453.583 4.634 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)s2)cc1 ZINC001456221372 1066539855 /nfs/dbraw/zinc/53/98/55/1066539855.db2.gz XAUPNLAPCAFBSW-GOSISDBHSA-N 0 0 456.612 4.803 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)cc1 ZINC001456218537 1066539881 /nfs/dbraw/zinc/53/98/81/1066539881.db2.gz IZULHLYJYJYWSJ-FQEVSTJZSA-N 0 0 457.636 4.857 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)cc1 ZINC001456218576 1066539888 /nfs/dbraw/zinc/53/98/88/1066539888.db2.gz IZULHLYJYJYWSJ-HXUWFJFHSA-N 0 0 457.636 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)cc2)o1 ZINC001361207346 1066540015 /nfs/dbraw/zinc/54/00/15/1066540015.db2.gz QSYHGDCSHOHSPU-SFHVURJKSA-N 0 0 457.962 4.652 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2csc(C)c2)o1 ZINC001361207221 1066540060 /nfs/dbraw/zinc/54/00/60/1066540060.db2.gz NELBZNZIXMAXLN-GOSISDBHSA-N 0 0 457.600 4.710 20 0 JJADRN COc1cccc(C2(CNC(=O)c3scc(C)c3I)CCCC2)c1 ZINC001456221339 1066540031 /nfs/dbraw/zinc/54/00/31/1066540031.db2.gz CBCBLYVMAUWUSH-UHFFFAOYSA-N 0 0 455.361 4.912 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(SC(F)(F)F)o3)ccc2C)ccn1 ZINC001445116224 1066540077 /nfs/dbraw/zinc/54/00/77/1066540077.db2.gz DCOYWIOYMMPUAB-UHFFFAOYSA-N 0 0 451.426 4.999 20 0 JJADRN C[C@H](O)c1ccc(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001445131866 1066540213 /nfs/dbraw/zinc/54/02/13/1066540213.db2.gz XUNKTNIBMNCZLL-IBGZPJMESA-N 0 0 458.558 4.627 20 0 JJADRN O=C([C@@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CC[C@@H](c2cnccn2)C1 ZINC001456222225 1066540479 /nfs/dbraw/zinc/54/04/79/1066540479.db2.gz WVWURWANNLICLY-IERDGZPVSA-N 0 0 456.315 4.514 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCCOCCC(C)C)o1 ZINC001361207641 1066540494 /nfs/dbraw/zinc/54/04/94/1066540494.db2.gz WXOULPYZPUFMGQ-UHFFFAOYSA-N 0 0 475.634 4.793 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001456227453 1066540916 /nfs/dbraw/zinc/54/09/16/1066540916.db2.gz RVRNJXCKBADJPJ-UHFFFAOYSA-N 0 0 456.564 4.627 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001456229120 1066541161 /nfs/dbraw/zinc/54/11/61/1066541161.db2.gz KDKMOZUHAZFPAF-QFIPXVFZSA-N 0 0 450.580 4.784 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC001361208960 1066541259 /nfs/dbraw/zinc/54/12/59/1066541259.db2.gz IIUGCNZBGIAYOQ-AEFFLSMTSA-N 0 0 470.536 4.581 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445164701 1066541682 /nfs/dbraw/zinc/54/16/82/1066541682.db2.gz PKZMMLBHHJOFRE-RBUKOAKNSA-N 0 0 452.576 4.808 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001456236383 1066541636 /nfs/dbraw/zinc/54/16/36/1066541636.db2.gz FCKYTECKOUMWTP-IRLDBZIGSA-N 0 0 452.352 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2Cc2cc(Br)cs2)o1 ZINC001361208988 1066541709 /nfs/dbraw/zinc/54/17/09/1066541709.db2.gz IXCATJKGWFKBTQ-MRXNPFEDSA-N 0 0 465.417 4.970 20 0 JJADRN CCOC(=O)[C@@H](C)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC001445165404 1066541880 /nfs/dbraw/zinc/54/18/80/1066541880.db2.gz ZQUVLRRBYKDRMH-NSHDSACASA-N 0 0 454.379 4.690 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445164707 1066541920 /nfs/dbraw/zinc/54/19/20/1066541920.db2.gz PKZMMLBHHJOFRE-RTBURBONSA-N 0 0 452.576 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CCN(C)CC(F)(F)F)o1 ZINC001361209262 1066542158 /nfs/dbraw/zinc/54/21/58/1066542158.db2.gz RHWBQYATUPDGHC-UHFFFAOYSA-N 0 0 483.579 4.905 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2cccc(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545972445 1066542308 /nfs/dbraw/zinc/54/23/08/1066542308.db2.gz GGMKABORIKAIIH-PZJWPPBQSA-N 0 0 482.604 4.720 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC001456238837 1066542351 /nfs/dbraw/zinc/54/23/51/1066542351.db2.gz DRBMIBWYDIKYAA-XUZZJYLKSA-N 0 0 452.530 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361209183 1066542350 /nfs/dbraw/zinc/54/23/50/1066542350.db2.gz OJRCCOPWCPMVCB-IBGZPJMESA-N 0 0 483.579 4.762 20 0 JJADRN COC[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001456239683 1066542678 /nfs/dbraw/zinc/54/26/78/1066542678.db2.gz BUUUQNMFFHEUJV-WBVHZDCISA-N 0 0 458.274 4.838 20 0 JJADRN CC(=O)c1cc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC001456240206 1066542695 /nfs/dbraw/zinc/54/26/95/1066542695.db2.gz JUEIITQDQGYHAD-UHFFFAOYSA-N 0 0 451.544 4.903 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1cnc(-c2ccccc2)s1 ZINC001445170292 1066542711 /nfs/dbraw/zinc/54/27/11/1066542711.db2.gz AQXSJZJFSMDVAR-HSZRJFAPSA-N 0 0 457.555 4.693 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2OC(C)(C)C)c1 ZINC001361209813 1066543172 /nfs/dbraw/zinc/54/31/72/1066543172.db2.gz OGFIEWUAZUOSIL-UHFFFAOYSA-N 0 0 453.004 4.524 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)C2)c1 ZINC001445176517 1066543338 /nfs/dbraw/zinc/54/33/38/1066543338.db2.gz UZVZEAJQHNDALE-DOUQRPAJSA-N 0 0 452.551 4.840 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445175636 1066543387 /nfs/dbraw/zinc/54/33/87/1066543387.db2.gz ILLQAFBDSWWJFP-CMJOXMDJSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361210172 1066543595 /nfs/dbraw/zinc/54/35/95/1066543595.db2.gz CNBAVJDTHMYDGG-KKSFZXQISA-N 0 0 452.477 4.743 20 0 JJADRN CCc1cnccc1NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001456243085 1066543650 /nfs/dbraw/zinc/54/36/50/1066543650.db2.gz LUTRLDJWDXTSPN-AWEZNQCLSA-N 0 0 450.589 4.704 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2Cc2cccc(C(F)(F)F)n2)o1 ZINC001361210533 1066544078 /nfs/dbraw/zinc/54/40/78/1066544078.db2.gz NFITURZVWTUYRH-UHFFFAOYSA-N 0 0 468.277 4.798 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC3(C)C)c2)cc1 ZINC001445188674 1066544175 /nfs/dbraw/zinc/54/41/75/1066544175.db2.gz UQZSORNRPUDCDG-HXUWFJFHSA-N 0 0 450.988 4.848 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3sc(-c4ccc(Cl)cc4)nc3C)C2)c1 ZINC001361211034 1066544561 /nfs/dbraw/zinc/54/45/61/1066544561.db2.gz GDUQKNFXFNPCSU-QGZVFWFLSA-N 0 0 457.983 4.798 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361211091 1066544575 /nfs/dbraw/zinc/54/45/75/1066544575.db2.gz XELHVGCFQVOLLR-IBGZPJMESA-N 0 0 497.571 4.610 20 0 JJADRN COC[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1cccc(C(F)(F)F)c1 ZINC001456244899 1066544635 /nfs/dbraw/zinc/54/46/35/1066544635.db2.gz LEXNWBSTAXFYNK-SFHVURJKSA-N 0 0 451.420 4.721 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545972559 1066544648 /nfs/dbraw/zinc/54/46/48/1066544648.db2.gz IFBHMMZCDDTAMW-GMAHTHKFSA-N 0 0 492.624 4.691 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001456244526 1066544722 /nfs/dbraw/zinc/54/47/22/1066544722.db2.gz KFPIELIMINPNJR-YADHBBJMSA-N 0 0 451.485 4.993 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@H](C)O1 ZINC001456245607 1066544827 /nfs/dbraw/zinc/54/48/27/1066544827.db2.gz ACRNYKVHCCEXQL-PMACEKPBSA-N 0 0 454.636 4.960 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCc1cccc(OC(F)(F)F)c1 ZINC001361211599 1066544993 /nfs/dbraw/zinc/54/49/93/1066544993.db2.gz UTOGSRWPRCXILT-KRWDZBQOSA-N 0 0 457.832 4.595 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCCOc3ccc(C(C)(C)C)cc3C)C2)c1 ZINC001361211251 1066545023 /nfs/dbraw/zinc/54/50/23/1066545023.db2.gz KFENXQCLVNAVRF-OAQYLSRUSA-N 0 0 454.611 4.864 20 0 JJADRN COc1cccc(N(CC(=O)N2CCCC[C@@H]2c2noc(C(C)C)n2)C(=O)OC(C)(C)C)c1 ZINC001445213152 1066545130 /nfs/dbraw/zinc/54/51/30/1066545130.db2.gz UKVRZTJQCWHCNA-LJQANCHMSA-N 0 0 458.559 4.697 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC001456247036 1066545187 /nfs/dbraw/zinc/54/51/87/1066545187.db2.gz GSECGBIGCBUYFQ-JTHBVZDNSA-N 0 0 452.551 4.670 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC001445211324 1066545273 /nfs/dbraw/zinc/54/52/73/1066545273.db2.gz AXUMKMUMQPMHSA-UHFFFAOYSA-N 0 0 453.974 4.701 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC001456248242 1066545727 /nfs/dbraw/zinc/54/57/27/1066545727.db2.gz SEJPFBJNOPJIJA-JOCHJYFZSA-N 0 0 453.558 4.837 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CCC2 ZINC001456251469 1066546530 /nfs/dbraw/zinc/54/65/30/1066546530.db2.gz WHWOQHWVXUYJJU-LJQANCHMSA-N 0 0 455.396 4.898 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1F ZINC001445221420 1066546515 /nfs/dbraw/zinc/54/65/15/1066546515.db2.gz LUOUXUOKICGSLE-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN O=Cc1ccc(OCCC(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1 ZINC001445219795 1066546543 /nfs/dbraw/zinc/54/65/43/1066546543.db2.gz VBWJJPCNAUVDLF-UHFFFAOYSA-N 0 0 451.910 4.882 20 0 JJADRN CCc1nc2ccccc2c(C(=O)N2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1C ZINC001445219468 1066546696 /nfs/dbraw/zinc/54/66/96/1066546696.db2.gz YXNDYDYOAOEQOW-GOSISDBHSA-N 0 0 452.624 4.618 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CCSCCCO)cc1Br ZINC001361212312 1066546959 /nfs/dbraw/zinc/54/69/59/1066546959.db2.gz LKXYXCNXDZHLKL-MRXNPFEDSA-N 0 0 467.477 4.758 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3OC(C)C)C2)s1 ZINC001456251549 1066546980 /nfs/dbraw/zinc/54/69/80/1066546980.db2.gz WUFPYOWLKIIMFM-OAHLLOKOSA-N 0 0 457.017 4.537 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3Br)s2)c1 ZINC001456251894 1066547038 /nfs/dbraw/zinc/54/70/38/1066547038.db2.gz NVXRJOBQUOJXNQ-UHFFFAOYSA-N 0 0 451.367 4.619 20 0 JJADRN COC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1cccc(C(F)(F)F)c1 ZINC001456251565 1066547095 /nfs/dbraw/zinc/54/70/95/1066547095.db2.gz WURWIOJTIHZHTG-RXVVDRJESA-N 0 0 456.464 4.715 20 0 JJADRN Nc1cc(Br)cc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1N ZINC001445226905 1066547012 /nfs/dbraw/zinc/54/70/12/1066547012.db2.gz LTBIQZFWHAGBAE-LBPRGKRZSA-N 0 0 459.171 4.604 20 0 JJADRN CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCC2)co1 ZINC001445222379 1066547097 /nfs/dbraw/zinc/54/70/97/1066547097.db2.gz NIQLBAKPZOXREX-UHFFFAOYSA-N 0 0 458.605 4.891 20 0 JJADRN Cc1ccc(SC2(CNC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CCCC2)cc1 ZINC001445225030 1066547150 /nfs/dbraw/zinc/54/71/50/1066547150.db2.gz GCAFUMASIJSBPA-UHFFFAOYSA-N 0 0 453.029 4.855 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)c1 ZINC001361212654 1066547275 /nfs/dbraw/zinc/54/72/75/1066547275.db2.gz HGNGQXSLFDUMAO-DYESRHJHSA-N 0 0 458.624 4.929 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCc4c(F)ccc(F)c4C3)cc2)c1 ZINC001445229748 1066547686 /nfs/dbraw/zinc/54/76/86/1066547686.db2.gz JUUJMZSKJPZKPY-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001361212842 1066547879 /nfs/dbraw/zinc/54/78/79/1066547879.db2.gz QKNOHRZXOOOPLF-GFCCVEGCSA-N 0 0 456.900 4.927 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCc4ccccc4[C@H]3C(=O)OC)s2)cc1 ZINC001361213060 1066547940 /nfs/dbraw/zinc/54/79/40/1066547940.db2.gz NSLOWLPSLBMFRM-NRFANRHFSA-N 0 0 450.560 4.684 20 0 JJADRN O=C(CCCOc1ccc(F)cc1F)Nc1cc(F)c(F)cc1I ZINC001361212951 1066547945 /nfs/dbraw/zinc/54/79/45/1066547945.db2.gz NNZKJHBGSJGXIL-UHFFFAOYSA-N 0 0 453.173 4.645 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)N(CCc1ccc(Cl)cc1)CC1CC1)N1C(=O)c2ccccc2C1=O ZINC001456256306 1066547929 /nfs/dbraw/zinc/54/79/29/1066547929.db2.gz ZQLXJDINXQAFNR-SBUREZEXSA-N 0 0 452.982 4.832 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)N(CCc1ccc(Cl)cc1)CC1CC1)N1C(=O)c2ccccc2C1=O ZINC001456256307 1066548018 /nfs/dbraw/zinc/54/80/18/1066548018.db2.gz ZQLXJDINXQAFNR-UZUQRXQVSA-N 0 0 452.982 4.832 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCc2cc(F)cc(F)c2)o1 ZINC001361213335 1066548295 /nfs/dbraw/zinc/54/82/95/1066548295.db2.gz WZTUEIZYXNFUCI-LJQANCHMSA-N 0 0 485.579 4.746 20 0 JJADRN CSC(C)(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001361213415 1066548329 /nfs/dbraw/zinc/54/83/29/1066548329.db2.gz SVEVRLXYPIESOI-UHFFFAOYSA-N 0 0 451.017 4.590 20 0 JJADRN COc1cc(C(=O)Nc2ccc3[nH]c(CC4CCCCC4)nc3c2)cc(NC(C)=O)c1OC ZINC001445233273 1066548411 /nfs/dbraw/zinc/54/84/11/1066548411.db2.gz PFRQLZAWCYTVOD-UHFFFAOYSA-N 0 0 450.539 4.914 20 0 JJADRN O=C(NCCCc1ccc(Br)cc1F)c1ccccc1COC1CCOCC1 ZINC001456262903 1066548982 /nfs/dbraw/zinc/54/89/82/1066548982.db2.gz GBNNJTAMGXAOSR-UHFFFAOYSA-N 0 0 450.348 4.646 20 0 JJADRN O=C(NCc1cnn2c1CCCC2)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001456262488 1066548997 /nfs/dbraw/zinc/54/89/97/1066548997.db2.gz NNORLKNRWLMXHI-OAQYLSRUSA-N 0 0 458.331 4.558 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361213905 1066549039 /nfs/dbraw/zinc/54/90/39/1066549039.db2.gz DCTAKJVMYKWBQI-UHFFFAOYSA-N 0 0 474.447 4.797 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC2CCCC2)c1 ZINC001445244532 1066549071 /nfs/dbraw/zinc/54/90/71/1066549071.db2.gz YDYGXKAYAGAMLE-HXUWFJFHSA-N 0 0 451.567 4.577 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCOc2ccccc2C(C)C)o1 ZINC001361214040 1066549307 /nfs/dbraw/zinc/54/93/07/1066549307.db2.gz HMXQCVCLXQCGRL-NRFANRHFSA-N 0 0 479.625 4.790 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001456265045 1066549329 /nfs/dbraw/zinc/54/93/29/1066549329.db2.gz FFGZMIPSCXSOIO-QGZVFWFLSA-N 0 0 452.551 4.895 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001456265043 1066549374 /nfs/dbraw/zinc/54/93/74/1066549374.db2.gz FFGZMIPSCXSOIO-KRWDZBQOSA-N 0 0 452.551 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cccs2)o1 ZINC001361214066 1066549724 /nfs/dbraw/zinc/54/97/24/1066549724.db2.gz HXPZKXFZKOCGKG-QGZVFWFLSA-N 0 0 457.600 4.792 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCO[C@@H](C)C2)o1 ZINC001361214202 1066549771 /nfs/dbraw/zinc/54/97/71/1066549771.db2.gz KQIMOHNBXHFVBD-HBMCJLEFSA-N 0 0 487.645 4.887 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001445268166 1066549938 /nfs/dbraw/zinc/54/99/38/1066549938.db2.gz FEJVRNDZBILXMP-QIIPPGSGSA-N 0 0 453.391 4.523 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC001445268158 1066549985 /nfs/dbraw/zinc/54/99/85/1066549985.db2.gz FEJVRNDZBILXMP-DHSIGJKJSA-N 0 0 453.391 4.523 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC(C)C)cc1Br ZINC001361214311 1066550117 /nfs/dbraw/zinc/55/01/17/1066550117.db2.gz MPHAYZAYZXCFIG-GOSISDBHSA-N 0 0 476.463 4.661 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1 ZINC001456266696 1066550179 /nfs/dbraw/zinc/55/01/79/1066550179.db2.gz DYJDTUKTXLZFAY-FCHUYYIVSA-N 0 0 470.541 4.747 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)c2ccccc21 ZINC001456269801 1066550740 /nfs/dbraw/zinc/55/07/40/1066550740.db2.gz UAILQVDJMAVBOX-QGZVFWFLSA-N 0 0 450.514 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361214538 1066550708 /nfs/dbraw/zinc/55/07/08/1066550708.db2.gz RLLGMLCSNARAJH-AEFFLSMTSA-N 0 0 461.607 4.544 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1)c1cccs1 ZINC001445268330 1066550616 /nfs/dbraw/zinc/55/06/16/1066550616.db2.gz GCABZWUXZMHTEB-LBPRGKRZSA-N 0 0 459.736 4.884 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2Cc2ccc(OC(C)C)cc2)o1 ZINC001361214576 1066550820 /nfs/dbraw/zinc/55/08/20/1066550820.db2.gz SAPNTJZYNWZHSA-JOCHJYFZSA-N 0 0 479.625 4.671 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)o1 ZINC001361214607 1066551164 /nfs/dbraw/zinc/55/11/64/1066551164.db2.gz SSXMBKDSTOMNAA-SJLPKXTDSA-N 0 0 486.642 4.942 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)CC2=O)c1 ZINC001445272988 1066551380 /nfs/dbraw/zinc/55/13/80/1066551380.db2.gz LXUBXFBYNGLKOQ-UNMCSNQZSA-N 0 0 450.604 4.806 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCCc1ccc(Br)cc1F ZINC001456270547 1066551312 /nfs/dbraw/zinc/55/13/12/1066551312.db2.gz ZIJPMDOPWSNYFW-UHFFFAOYSA-N 0 0 451.283 4.843 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C3)n2CC(C)C)o1 ZINC001361214751 1066551677 /nfs/dbraw/zinc/55/16/77/1066551677.db2.gz WMDHXYHABCSXQG-QGZVFWFLSA-N 0 0 467.561 4.974 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCOC2CCCCC2)o1 ZINC001361214813 1066551684 /nfs/dbraw/zinc/55/16/84/1066551684.db2.gz XYBAGFBUPFLDBO-FQEVSTJZSA-N 0 0 471.646 4.717 20 0 JJADRN COc1cccn2ncc(C(=O)NCc3ccc(Br)cc3Oc3ccccc3)c12 ZINC001456272630 1066551835 /nfs/dbraw/zinc/55/18/35/1066551835.db2.gz YYQGAYCENSCXRN-UHFFFAOYSA-N 0 0 452.308 4.828 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)Cc2c[nH]c3nccc(Cl)c23)c2ccccc21 ZINC001456272068 1066551858 /nfs/dbraw/zinc/55/18/58/1066551858.db2.gz ZTZDFZIENOBHRZ-HNNXBMFYSA-N 0 0 454.958 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@H](C)O)cc2)o1 ZINC001361214867 1066552044 /nfs/dbraw/zinc/55/20/44/1066552044.db2.gz ZAOMODZJVNSRPI-SIKLNZKXSA-N 0 0 495.624 4.784 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N2CCCc3cc(Br)cc(C)c32)c1=O ZINC001361215106 1066552188 /nfs/dbraw/zinc/55/21/88/1066552188.db2.gz GVHOIWREBGNICA-UHFFFAOYSA-N 0 0 456.384 4.653 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1cccs1 ZINC001445279314 1066552314 /nfs/dbraw/zinc/55/23/14/1066552314.db2.gz WTNRHUDUZHZDMH-SFHVURJKSA-N 0 0 458.381 4.633 20 0 JJADRN O=Cc1ccc(OCC(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c(Br)c1 ZINC001445278320 1066552409 /nfs/dbraw/zinc/55/24/09/1066552409.db2.gz UVFIKHTXOOIUHQ-LJQANCHMSA-N 0 0 458.352 4.685 20 0 JJADRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC001445278595 1066552445 /nfs/dbraw/zinc/55/24/45/1066552445.db2.gz ZMJVZGMYSMQQOB-GOSISDBHSA-N 0 0 454.514 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361217334 1066552960 /nfs/dbraw/zinc/55/29/60/1066552960.db2.gz BYICCAXRKNJYAL-OALUTQOASA-N 0 0 474.447 4.556 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)NCCCc1ccc(Cl)cc1Cl ZINC001445282812 1066552990 /nfs/dbraw/zinc/55/29/90/1066552990.db2.gz CPLWUXKPJZHCOW-UHFFFAOYSA-N 0 0 455.386 4.756 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC001445285297 1066553220 /nfs/dbraw/zinc/55/32/20/1066553220.db2.gz LBARMNMZDJTYTO-QGZVFWFLSA-N 0 0 458.324 4.564 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3cnn(C4CCC4)c3)ccc2C)c(C)c1 ZINC001456276203 1066553351 /nfs/dbraw/zinc/55/33/51/1066553351.db2.gz IFEVGAJAPQNVLX-UHFFFAOYSA-N 0 0 452.580 4.895 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C)C2=O ZINC001361217621 1066553391 /nfs/dbraw/zinc/55/33/91/1066553391.db2.gz IHWFWLONEPZWOQ-NUANOYTQSA-N 0 0 453.627 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2CCOCCCO)cc1Br ZINC001361217806 1066553800 /nfs/dbraw/zinc/55/38/00/1066553800.db2.gz HAWXVGBMLQZOTE-IBGZPJMESA-N 0 0 491.455 4.818 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1(CC)CC ZINC001445286960 1066553836 /nfs/dbraw/zinc/55/38/36/1066553836.db2.gz LRSRCTZWVUARND-KFDHSVMUSA-N 0 0 458.462 4.779 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(Cl)c(Br)cc1F ZINC001456278688 1066553970 /nfs/dbraw/zinc/55/39/70/1066553970.db2.gz YEEJDJVMVCAEOY-UHFFFAOYSA-N 0 0 458.755 4.972 20 0 JJADRN O=C(NCCc1ccc(Br)cc1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001456277742 1066553994 /nfs/dbraw/zinc/55/39/94/1066553994.db2.gz FWDUZCRNIQBQIO-HXUWFJFHSA-N 0 0 456.302 4.776 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001456280951 1066554327 /nfs/dbraw/zinc/55/43/27/1066554327.db2.gz RTIMNYJFPKIWFE-UHFFFAOYSA-N 0 0 456.184 4.592 20 0 JJADRN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC001445290585 1066554579 /nfs/dbraw/zinc/55/45/79/1066554579.db2.gz WBWKDEXWSOOZRQ-UHFFFAOYSA-N 0 0 450.564 4.554 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCCc3c(C)cccc31)C2 ZINC001456281432 1066554777 /nfs/dbraw/zinc/55/47/77/1066554777.db2.gz JYOBWCIPWBYBHQ-OAQYLSRUSA-N 0 0 452.551 4.658 20 0 JJADRN CO[C@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1C(F)(F)F ZINC001456281073 1066554783 /nfs/dbraw/zinc/55/47/83/1066554783.db2.gz SADXVFJMZSYPMB-MOPGFXCFSA-N 0 0 458.521 4.983 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445292577 1066554971 /nfs/dbraw/zinc/55/49/71/1066554971.db2.gz CGDFCQMCBZNFLS-XMMPIXPASA-N 0 0 454.929 4.856 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCc2ccc(F)c(F)c2)o1 ZINC001361218541 1066555039 /nfs/dbraw/zinc/55/50/39/1066555039.db2.gz UGCRFZBTLNTVIW-UHFFFAOYSA-N 0 0 487.551 4.672 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545973348 1066555054 /nfs/dbraw/zinc/55/50/54/1066555054.db2.gz XMXZHBMXINOSBU-TZIWHRDSSA-N 0 0 496.656 4.663 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC2CCC(F)(F)CC2)o1 ZINC001361218555 1066555256 /nfs/dbraw/zinc/55/52/56/1066555256.db2.gz UUQSNWIYHBVIDO-UHFFFAOYSA-N 0 0 479.572 4.977 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361218825 1066555313 /nfs/dbraw/zinc/55/53/13/1066555313.db2.gz RMLGEGCJRNJFJW-UHFFFAOYSA-N 0 0 473.618 4.548 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC001456284927 1066555401 /nfs/dbraw/zinc/55/54/01/1066555401.db2.gz SANCHKVKKSNZMW-UHFFFAOYSA-N 0 0 457.796 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCC3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361218877 1066555555 /nfs/dbraw/zinc/55/55/55/1066555555.db2.gz SILFGTQRAIQLII-UHFFFAOYSA-N 0 0 474.447 4.799 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCSCC(F)(F)F)cc1Br ZINC001361219051 1066555626 /nfs/dbraw/zinc/55/56/26/1066555626.db2.gz ZUOACAGHHRYDSW-AWEZNQCLSA-N 0 0 493.393 4.927 20 0 JJADRN CC1(C)CN(C(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)CCS1 ZINC001445297825 1066556018 /nfs/dbraw/zinc/55/60/18/1066556018.db2.gz UAGSMUFTYPPMAM-UHFFFAOYSA-N 0 0 452.498 4.691 20 0 JJADRN O=C(NC[C@H]1CSCCS1)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001445300627 1066556063 /nfs/dbraw/zinc/55/60/63/1066556063.db2.gz YTJUUFGXJNGBAE-MAUKXSAKSA-N 0 0 456.402 4.673 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC001456292128 1066556646 /nfs/dbraw/zinc/55/66/46/1066556646.db2.gz LYVGPHCSNGYRHV-UHFFFAOYSA-N 0 0 452.382 4.979 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4F)C3)c2)c1 ZINC001456292996 1066556721 /nfs/dbraw/zinc/55/67/21/1066556721.db2.gz JHWWGUSPSRIGBC-IRJFHVNHSA-N 0 0 456.514 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCCOC(C)C)cc1Br ZINC001361219746 1066556800 /nfs/dbraw/zinc/55/68/00/1066556800.db2.gz NRQAZTGJGRIAFN-CTNGQTDRSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1csc(COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 ZINC001361220556 1066557862 /nfs/dbraw/zinc/55/78/62/1066557862.db2.gz VIUWQGDSQOQLKM-UHFFFAOYSA-N 0 0 450.438 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC(OCC3CCCC3)CC2)CC1 ZINC001445336039 1066558327 /nfs/dbraw/zinc/55/83/27/1066558327.db2.gz MWZXTNCXXSIIJR-UHFFFAOYSA-N 0 0 459.631 4.872 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@@H]2C)cc1Br ZINC001361220816 1066558445 /nfs/dbraw/zinc/55/84/45/1066558445.db2.gz FSXPTOSQRCDZPK-MAUKXSAKSA-N 0 0 476.419 4.654 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001456301276 1066558605 /nfs/dbraw/zinc/55/86/05/1066558605.db2.gz SQVDCWWYNRFCBX-OAQYLSRUSA-N 0 0 459.384 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)Oc2ccc(F)cc2)o1 ZINC001361221131 1066559578 /nfs/dbraw/zinc/55/95/78/1066559578.db2.gz OKVOPBUROUPEOV-PKOBYXMFSA-N 0 0 499.587 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCCCS2)o1 ZINC001361221413 1066560001 /nfs/dbraw/zinc/56/00/01/1066560001.db2.gz YMCKMUOJICCZFX-WMZOPIPTSA-N 0 0 461.632 4.578 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(Br)c1 ZINC001545973993 1066560132 /nfs/dbraw/zinc/56/01/32/1066560132.db2.gz MSBRBCSWXXXXMQ-ICSRJNTNSA-N 0 0 450.348 4.780 20 0 JJADRN C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001361221658 1066560431 /nfs/dbraw/zinc/56/04/31/1066560431.db2.gz FOZKYXRUZGSBAN-UYAOXDASSA-N 0 0 459.512 4.619 20 0 JJADRN Cc1cc(Br)cc(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1C ZINC001445346384 1066560440 /nfs/dbraw/zinc/56/04/40/1066560440.db2.gz JZNKXSDLNDRUJZ-QGZVFWFLSA-N 0 0 450.682 4.899 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(F)c(F)cc1Br ZINC001361222118 1066560488 /nfs/dbraw/zinc/56/04/88/1066560488.db2.gz UAJIFDARYJQZFQ-UHFFFAOYSA-N 0 0 457.278 4.967 20 0 JJADRN Cc1cc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)ccc1Br ZINC001456311567 1066560612 /nfs/dbraw/zinc/56/06/12/1066560612.db2.gz MFIAGGWNPMMFFW-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)cc(Cl)c1Br ZINC001456311867 1066560659 /nfs/dbraw/zinc/56/06/59/1066560659.db2.gz OZEDRGUCSYGHGW-UHFFFAOYSA-N 0 0 450.764 4.752 20 0 JJADRN COCCCOc1cccc(NC(=O)c2cc(C)c(Cl)cc2I)c1 ZINC001361222299 1066560909 /nfs/dbraw/zinc/56/09/09/1066560909.db2.gz YOXKUITYSYJOEF-UHFFFAOYSA-N 0 0 459.711 4.921 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCCC(C)C)cc1Br ZINC001361222480 1066560978 /nfs/dbraw/zinc/56/09/78/1066560978.db2.gz FDOKXMHUBJHQGO-UHFFFAOYSA-N 0 0 484.446 4.569 20 0 JJADRN O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(=O)c1cccs1 ZINC001445350119 1066561010 /nfs/dbraw/zinc/56/10/10/1066561010.db2.gz PHTUXKUXFJKVII-HXUWFJFHSA-N 0 0 453.869 4.812 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001445352861 1066561543 /nfs/dbraw/zinc/56/15/43/1066561543.db2.gz BFGXUXWQRIZUGU-VBQJREDUSA-N 0 0 450.954 4.676 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(CC)cc3)CC2)cc1 ZINC001456319626 1066561783 /nfs/dbraw/zinc/56/17/83/1066561783.db2.gz KSSYEZHHTYRVRB-JOCHJYFZSA-N 0 0 450.623 4.663 20 0 JJADRN CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccs1 ZINC001456317834 1066561857 /nfs/dbraw/zinc/56/18/57/1066561857.db2.gz KPJVSERHNVIWIE-UHFFFAOYSA-N 0 0 454.617 4.597 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361224046 1066561915 /nfs/dbraw/zinc/56/19/15/1066561915.db2.gz HRQRKDUPKGNLLD-QYZOEREBSA-N 0 0 481.563 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCSCc2ccccc2)o1 ZINC001361223892 1066561957 /nfs/dbraw/zinc/56/19/57/1066561957.db2.gz BLMSQPOEAALCIL-QGZVFWFLSA-N 0 0 479.572 4.853 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001445361191 1066562080 /nfs/dbraw/zinc/56/20/80/1066562080.db2.gz UOOBDOOIZUQHCY-NRFANRHFSA-N 0 0 455.530 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC001456322680 1066562295 /nfs/dbraw/zinc/56/22/95/1066562295.db2.gz SVFTUBYNBWQLKG-HFZDXXHNSA-N 0 0 451.567 4.679 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC(C)(C)c2cccc(F)c2)o1 ZINC001361224294 1066562470 /nfs/dbraw/zinc/56/24/70/1066562470.db2.gz OUGGKFFGDPKEOQ-UHFFFAOYSA-N 0 0 497.512 4.986 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 ZINC001445365692 1066562882 /nfs/dbraw/zinc/56/28/82/1066562882.db2.gz JVNHFDDRMPVRMT-UHFFFAOYSA-N 0 0 454.857 4.585 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C2=CCCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001445370567 1066563219 /nfs/dbraw/zinc/56/32/19/1066563219.db2.gz XMCHJBBCPXXATE-UHFFFAOYSA-N 0 0 450.583 4.580 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1)CC(F)(F)F ZINC001445369022 1066563245 /nfs/dbraw/zinc/56/32/45/1066563245.db2.gz HYXQBLAERMDTNE-OAHLLOKOSA-N 0 0 450.929 4.730 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC001456326934 1066563264 /nfs/dbraw/zinc/56/32/64/1066563264.db2.gz DXKMJZDQNONBAD-SFHVURJKSA-N 0 0 459.281 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCc2ccccc2OC(F)F)o1 ZINC001361224466 1066563442 /nfs/dbraw/zinc/56/34/42/1066563442.db2.gz VJDMXMPEKAKNDH-OAHLLOKOSA-N 0 0 499.484 4.763 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCC2CCCCC2)cc1 ZINC001456328048 1066563410 /nfs/dbraw/zinc/56/34/10/1066563410.db2.gz BHRYQUVXKOSZGT-IBGZPJMESA-N 0 0 458.624 4.999 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C)COCc2ccccc2)o1 ZINC001361224509 1066563507 /nfs/dbraw/zinc/56/35/07/1066563507.db2.gz WJAQSIVXCCKSLY-RBUKOAKNSA-N 0 0 491.558 4.772 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(Cc4ccc(Cl)cc4)C(=O)C3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361224470 1066563513 /nfs/dbraw/zinc/56/35/13/1066563513.db2.gz VKHWWRPHSIXBRQ-UHFFFAOYSA-N 0 0 495.933 4.937 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1c(F)cccc1Cl ZINC001445371611 1066563771 /nfs/dbraw/zinc/56/37/71/1066563771.db2.gz BKWFKDXKQLOBKT-CYBMUJFWSA-N 0 0 450.894 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CC[C@@H](OCCCc4ccccc4)C3)CC2)CC1 ZINC001361224685 1066563908 /nfs/dbraw/zinc/56/39/08/1066563908.db2.gz CMADKXTYQOHTFK-HSZRJFAPSA-N 0 0 456.627 4.664 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001361224668 1066564054 /nfs/dbraw/zinc/56/40/54/1066564054.db2.gz BZEOZKRHOVEXNJ-GOSISDBHSA-N 0 0 457.412 4.767 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)cc2)cc1 ZINC001456331523 1066564415 /nfs/dbraw/zinc/56/44/15/1066564415.db2.gz NOSIYQSXRANGNK-PKTZIBPZSA-N 0 0 467.363 4.914 20 0 JJADRN CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC001456333279 1066564483 /nfs/dbraw/zinc/56/44/83/1066564483.db2.gz HHGHDRHEUJRUOZ-DMTNHVFBSA-N 0 0 477.649 4.840 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1)CC(F)(F)F ZINC001445374867 1066564541 /nfs/dbraw/zinc/56/45/41/1066564541.db2.gz YHNYRVDYWAOYEI-LJQANCHMSA-N 0 0 458.528 4.691 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001456335494 1066564799 /nfs/dbraw/zinc/56/47/99/1066564799.db2.gz IWFADDRLACZSBV-HXUWFJFHSA-N 0 0 453.384 4.684 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(NC=O)c3)ccc2C)c(C)c1 ZINC001456335524 1066564873 /nfs/dbraw/zinc/56/48/73/1066564873.db2.gz MFKQPTAVVYLEFL-UHFFFAOYSA-N 0 0 451.548 4.542 20 0 JJADRN CCOC(=O)c1n[nH]c(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1C ZINC001456339555 1066565308 /nfs/dbraw/zinc/56/53/08/1066565308.db2.gz OMDRMDWBJIHPAG-UHFFFAOYSA-N 0 0 452.540 4.510 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545974629 1066565448 /nfs/dbraw/zinc/56/54/48/1066565448.db2.gz BXCYRJPOQLXRJN-MRXNPFEDSA-N 0 0 474.556 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccsc2)cc1Br ZINC001361227134 1066565503 /nfs/dbraw/zinc/56/55/03/1066565503.db2.gz GYEGCPAIMIDCAE-LJQANCHMSA-N 0 0 461.429 4.987 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCc2nccs2)cc1Br ZINC001361227217 1066565604 /nfs/dbraw/zinc/56/56/04/1066565604.db2.gz IEOQJWFTXYJJEE-HNNXBMFYSA-N 0 0 476.444 4.719 20 0 JJADRN Cc1c([C@@H](C)NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cnn1C ZINC001456341030 1066565919 /nfs/dbraw/zinc/56/59/19/1066565919.db2.gz QCWRWUSYDRCSJY-OAHLLOKOSA-N 0 0 453.999 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)C(C)(C)C1 ZINC001456342754 1066566364 /nfs/dbraw/zinc/56/63/64/1066566364.db2.gz XIOVANIKNUOANC-UHFFFAOYSA-N 0 0 455.530 4.550 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456345170 1066566426 /nfs/dbraw/zinc/56/64/26/1066566426.db2.gz RITFMWYKPVFDJG-OAQYLSRUSA-N 0 0 455.480 4.617 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001545974706 1066567022 /nfs/dbraw/zinc/56/70/22/1066567022.db2.gz DDJTXNYMOOSMFJ-IBGZPJMESA-N 0 0 489.624 4.772 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001456350867 1066567303 /nfs/dbraw/zinc/56/73/03/1066567303.db2.gz KZUFZEFZXDRGDE-KRWDZBQOSA-N 0 0 454.702 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](CCc4ccccc4)C3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361228786 1066567506 /nfs/dbraw/zinc/56/75/06/1066567506.db2.gz FHTAETGZVWHOTJ-QFIPXVFZSA-N 0 0 495.624 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361228536 1066567613 /nfs/dbraw/zinc/56/76/13/1066567613.db2.gz AYOOGRXTAKMYDD-NRFANRHFSA-N 0 0 499.587 4.867 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCCCCC(=O)OCc2ccccc2)CC2(CCC2)C1 ZINC001445407588 1066567497 /nfs/dbraw/zinc/56/74/97/1066567497.db2.gz AZCSERAYYPVYJX-UHFFFAOYSA-N 0 0 458.599 4.634 20 0 JJADRN CNC(=O)[C@@H](C)CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(OC)cc1 ZINC001445401383 1066567692 /nfs/dbraw/zinc/56/76/92/1066567692.db2.gz GPNFGUUYJTTXPR-OBKVJGTNSA-N 0 0 457.574 4.574 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545974721 1066567777 /nfs/dbraw/zinc/56/77/77/1066567777.db2.gz DJTSYYJMNKGVQA-LJQANCHMSA-N 0 0 464.614 4.961 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001456354850 1066568412 /nfs/dbraw/zinc/56/84/12/1066568412.db2.gz VXFBGQCSAYOUBY-BJKOFHAPSA-N 0 0 456.920 4.725 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)CC2=O)ccc1Br ZINC001456353472 1066568500 /nfs/dbraw/zinc/56/85/00/1066568500.db2.gz SQCWCLHFRRGFAF-VGUOSERISA-N 0 0 455.396 4.904 20 0 JJADRN O=C(c1ccc(I)c(Br)c1)N1CC[C@H]1Cc1ccccc1 ZINC001445413458 1066568708 /nfs/dbraw/zinc/56/87/08/1066568708.db2.gz KWJYHCOIWVRLKM-AWEZNQCLSA-N 0 0 456.121 4.511 20 0 JJADRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)CC1(CSc2ccccc2)CC1 ZINC001445413919 1066568840 /nfs/dbraw/zinc/56/88/40/1066568840.db2.gz APFFRBATRHUGKT-QGZVFWFLSA-N 0 0 453.526 4.866 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC001456356951 1066568793 /nfs/dbraw/zinc/56/87/93/1066568793.db2.gz PZXDHKRVWRNJGW-UHFFFAOYSA-N 0 0 458.393 4.843 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)ccc2OC(F)F)C1 ZINC001546081771 1066569318 /nfs/dbraw/zinc/56/93/18/1066569318.db2.gz WJGFFGAWUHPGJH-REIDKSKDSA-N 0 0 464.557 4.587 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@H](C)Cc2cc(C)cc(C)c2)nnc1-c1ccccc1 ZINC001361230102 1066569481 /nfs/dbraw/zinc/56/94/81/1066569481.db2.gz NACMLCLMHWRARQ-UXHICEINSA-N 0 0 452.624 4.609 20 0 JJADRN CC(C)COc1ncccc1C(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359672 1066569763 /nfs/dbraw/zinc/56/97/63/1066569763.db2.gz NCIFJJVLEMECRM-FQEVSTJZSA-N 0 0 458.679 4.849 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)c1-c1cccc(Br)c1 ZINC001445422421 1066569831 /nfs/dbraw/zinc/56/98/31/1066569831.db2.gz CDLRUZDFGYENHE-UHFFFAOYSA-N 0 0 457.328 4.750 20 0 JJADRN CC1(C)CN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359585 1066569805 /nfs/dbraw/zinc/56/98/05/1066569805.db2.gz MKSLLSLMIIFXOZ-HXUWFJFHSA-N 0 0 452.631 4.673 20 0 JJADRN CN(Cc1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)c1cc2ccccc2o1 ZINC001456359867 1066569833 /nfs/dbraw/zinc/56/98/33/1066569833.db2.gz RMUNOUJDMVQZQZ-UHFFFAOYSA-N 0 0 456.424 4.710 20 0 JJADRN C[C@@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)n1ccc(C(F)(F)F)n1 ZINC001456359132 1066569924 /nfs/dbraw/zinc/56/99/24/1066569924.db2.gz KWOJTLFNNCFRRK-LBPRGKRZSA-N 0 0 458.362 4.985 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2CCOc3c(F)cccc32)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359129 1066569984 /nfs/dbraw/zinc/56/99/84/1066569984.db2.gz KOVBOSJKRGMHRO-WIYYLYMNSA-N 0 0 459.638 4.810 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361230791 1066570062 /nfs/dbraw/zinc/57/00/62/1066570062.db2.gz CBJIMHYGWSXNAB-SFHVURJKSA-N 0 0 475.659 4.825 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001445424488 1066570094 /nfs/dbraw/zinc/57/00/94/1066570094.db2.gz MTIVLXXVESIUFR-LJQANCHMSA-N 0 0 451.485 4.593 20 0 JJADRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445429436 1066570326 /nfs/dbraw/zinc/57/03/26/1066570326.db2.gz JYWDUKSVEJPQLT-PMACEKPBSA-N 0 0 450.601 4.729 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(COc2ccccc2)c1C ZINC001445428719 1066570399 /nfs/dbraw/zinc/57/03/99/1066570399.db2.gz RDAXMDOPSMCMME-UHFFFAOYSA-N 0 0 450.560 4.575 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)CN3C(=S)N=NC3c3cccc(C)c3)c2)cc1 ZINC001445429523 1066570531 /nfs/dbraw/zinc/57/05/31/1066570531.db2.gz AGWKVEKLZVAMMD-UHFFFAOYSA-N 0 0 450.589 4.596 20 0 JJADRN COc1cc(N(C)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc(OC)c1OC ZINC001456361390 1066570733 /nfs/dbraw/zinc/57/07/33/1066570733.db2.gz QOVHZWXVSSCMRI-UHFFFAOYSA-N 0 0 459.340 4.757 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC001456361759 1066570744 /nfs/dbraw/zinc/57/07/44/1066570744.db2.gz FNQLCKQQCSOTRM-QGOAFFKASA-N 0 0 452.860 4.705 20 0 JJADRN C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccc(Cl)cc1 ZINC001456362035 1066570787 /nfs/dbraw/zinc/57/07/87/1066570787.db2.gz RVUFINQXFMOQQP-PZDGAKPMSA-N 0 0 456.789 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361231122 1066571062 /nfs/dbraw/zinc/57/10/62/1066571062.db2.gz LSQUNDJPEOYGTR-AZUAARDMSA-N 0 0 477.472 4.939 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001456364300 1066571647 /nfs/dbraw/zinc/57/16/47/1066571647.db2.gz ZULGWVSKYSPYHU-AREMUKBSSA-N 0 0 459.542 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC001361231753 1066571838 /nfs/dbraw/zinc/57/18/38/1066571838.db2.gz TZALJAKKAGVLEW-LSDHHAIUSA-N 0 0 467.517 4.561 20 0 JJADRN COc1cccc(-c2cc(C(=O)Nc3n[nH]c(C)c3-c3cccc(Br)c3)n[nH]2)c1 ZINC001445440692 1066571962 /nfs/dbraw/zinc/57/19/62/1066571962.db2.gz VJCGUGBYCKGVJX-UHFFFAOYSA-N 0 0 452.312 4.799 20 0 JJADRN CC(C)CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC001445441926 1066571984 /nfs/dbraw/zinc/57/19/84/1066571984.db2.gz AXDOTPOVRHFOHG-GOSISDBHSA-N 0 0 453.396 4.725 20 0 JJADRN Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3noc(-c4ccc(Cl)cc4)n3)c2c1C ZINC001445449920 1066572509 /nfs/dbraw/zinc/57/25/09/1066572509.db2.gz ZUAZOXDZIMTMDM-NSHDSACASA-N 0 0 459.984 4.981 20 0 JJADRN C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445444474 1066572693 /nfs/dbraw/zinc/57/26/93/1066572693.db2.gz WBOKSKRXMPPLGD-OAHLLOKOSA-N 0 0 453.930 4.511 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC001456368852 1066572701 /nfs/dbraw/zinc/57/27/01/1066572701.db2.gz CCZHTOCFIAQWSP-CNGOPUHISA-N 0 0 459.575 4.718 20 0 JJADRN Cc1c(C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)nnn1-c1cccc(Br)c1 ZINC001456372863 1066573070 /nfs/dbraw/zinc/57/30/70/1066573070.db2.gz IKXNHTPWQPNAJC-GFCCVEGCSA-N 0 0 452.255 4.858 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545975372 1066573242 /nfs/dbraw/zinc/57/32/42/1066573242.db2.gz QMWPFGQNWJAWCF-AZUAARDMSA-N 0 0 498.603 4.621 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361232698 1066573310 /nfs/dbraw/zinc/57/33/10/1066573310.db2.gz UIGRXLUPUDFWSO-DJIMGWMZSA-N 0 0 483.535 4.881 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)c2)cs1 ZINC001456376178 1066573750 /nfs/dbraw/zinc/57/37/50/1066573750.db2.gz NSARUCOLZLQZME-LJQANCHMSA-N 0 0 457.502 4.645 20 0 JJADRN O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001361233236 1066573822 /nfs/dbraw/zinc/57/38/22/1066573822.db2.gz GLQXRLLSNDQLDQ-UHFFFAOYSA-N 0 0 457.357 4.696 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001456378696 1066573909 /nfs/dbraw/zinc/57/39/09/1066573909.db2.gz PLHXNDSZIIEPFD-MBNYWOFBSA-N 0 0 457.294 4.747 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361233338 1066574205 /nfs/dbraw/zinc/57/42/05/1066574205.db2.gz FMRZNVKKAKHZPA-IBGZPJMESA-N 0 0 457.525 4.819 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361233339 1066574289 /nfs/dbraw/zinc/57/42/89/1066574289.db2.gz FMRZNVKKAKHZPA-LJQANCHMSA-N 0 0 457.525 4.819 20 0 JJADRN Cc1ccc(-c2nnc(Nc3ccn(C)n3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001361233336 1066574444 /nfs/dbraw/zinc/57/44/44/1066574444.db2.gz FJTSKPYIIJWRIP-HUUCEWRRSA-N 0 0 459.392 4.697 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC001456388487 1066574789 /nfs/dbraw/zinc/57/47/89/1066574789.db2.gz MMYVMPSZFCOLCC-YTTGMZPUSA-N 0 0 451.563 4.962 20 0 JJADRN O=C(COc1ccccc1C(=O)N1CC(Cc2ccccc2Cl)C1)Nc1ccccc1F ZINC001445473618 1066575050 /nfs/dbraw/zinc/57/50/50/1066575050.db2.gz JZIQCUHBFJJRRM-UHFFFAOYSA-N 0 0 452.913 4.811 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361234304 1066575000 /nfs/dbraw/zinc/57/50/00/1066575000.db2.gz MWIVHJAIBGJSFR-KDOFPFPSSA-N 0 0 491.543 4.870 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001361234876 1066575445 /nfs/dbraw/zinc/57/54/45/1066575445.db2.gz TWUUBBVPQYYVDJ-UHFFFAOYSA-N 0 0 457.702 4.509 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001445475547 1066575464 /nfs/dbraw/zinc/57/54/64/1066575464.db2.gz QEARRMDCIUFXFM-UHFFFAOYSA-N 0 0 459.464 4.763 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc(Br)c1)c1ccccc1 ZINC001456389761 1066575598 /nfs/dbraw/zinc/57/55/98/1066575598.db2.gz MLQQFSMMHDEZEN-NRFANRHFSA-N 0 0 455.327 4.592 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccccn2)cc1 ZINC001456392211 1066576039 /nfs/dbraw/zinc/57/60/39/1066576039.db2.gz HGLKXTBPEMWARP-LJQANCHMSA-N 0 0 452.580 4.585 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)o1 ZINC001361235765 1066576231 /nfs/dbraw/zinc/57/62/31/1066576231.db2.gz ZBPNKHFTPDIFCH-UYAOXDASSA-N 0 0 469.561 4.715 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361235939 1066576287 /nfs/dbraw/zinc/57/62/87/1066576287.db2.gz AWOFPTJZOHIJSL-NRFANRHFSA-N 0 0 481.597 4.667 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)C)o1 ZINC001361235914 1066576310 /nfs/dbraw/zinc/57/63/10/1066576310.db2.gz AHHCKUHFAWHUPS-ZCNNSNEGSA-N 0 0 473.618 4.717 20 0 JJADRN C[C@H](CCc1cccn1C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001456391702 1066576175 /nfs/dbraw/zinc/57/61/75/1066576175.db2.gz POOBPHBQDIRZHI-YHYVQYDKSA-N 0 0 460.018 4.767 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@@H]1C(F)(F)F)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445486291 1066576323 /nfs/dbraw/zinc/57/63/23/1066576323.db2.gz YWRCOMVMTVYVRP-IBGZPJMESA-N 0 0 457.370 4.993 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)o1 ZINC001361235930 1066576374 /nfs/dbraw/zinc/57/63/74/1066576374.db2.gz AQHCSDHXEZTQAJ-NHCUHLMSSA-N 0 0 487.645 4.798 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445486143 1066576385 /nfs/dbraw/zinc/57/63/85/1066576385.db2.gz XDYKNNXMJSZWGM-UHFFFAOYSA-N 0 0 457.374 4.655 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001445484519 1066576422 /nfs/dbraw/zinc/57/64/22/1066576422.db2.gz ATTTYSSJMWGKBZ-JOCHJYFZSA-N 0 0 456.505 4.623 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 ZINC001456392622 1066576563 /nfs/dbraw/zinc/57/65/63/1066576563.db2.gz JDVQASOJNPHZFT-WJOKGBTCSA-N 0 0 450.486 4.586 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361236017 1066576737 /nfs/dbraw/zinc/57/67/37/1066576737.db2.gz CGQVYFFOJIDXQX-AABGKKOBSA-N 0 0 473.618 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3csc(CCc4ccccc4)n3)CCC[C@H]12 ZINC001445486812 1066576935 /nfs/dbraw/zinc/57/69/35/1066576935.db2.gz OLJKMQTXSVPZFP-NBGIEHNGSA-N 0 0 455.624 4.724 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001445486737 1066576995 /nfs/dbraw/zinc/57/69/95/1066576995.db2.gz QKYZJWJGHPNSMU-RBUKOAKNSA-N 0 0 456.505 4.622 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cnc(OCc2ccccc2)cn1 ZINC001456393884 1066577206 /nfs/dbraw/zinc/57/72/06/1066577206.db2.gz VRCPYKXXWYQTRE-XIFFEERXSA-N 0 0 457.555 4.757 20 0 JJADRN CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001445491200 1066577481 /nfs/dbraw/zinc/57/74/81/1066577481.db2.gz NIKSPTVASGDQFT-IAPPQJPRSA-N 0 0 458.602 4.587 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC ZINC001456394660 1066577572 /nfs/dbraw/zinc/57/75/72/1066577572.db2.gz UATRDWMCFZHEGL-UHFFFAOYSA-N 0 0 457.530 4.937 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC001361237037 1066577570 /nfs/dbraw/zinc/57/75/70/1066577570.db2.gz LWDCZQWBTXKPOP-MZYLBHOOSA-N 0 0 467.658 4.765 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)cc1 ZINC001361237015 1066577584 /nfs/dbraw/zinc/57/75/84/1066577584.db2.gz LSODKSYZIZWAFH-DENIHFKCSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361236881 1066577670 /nfs/dbraw/zinc/57/76/70/1066577670.db2.gz LFUBRMIMXYTHPP-ZEQRLZLVSA-N 0 0 483.657 4.804 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)cc1 ZINC001361237017 1066577694 /nfs/dbraw/zinc/57/76/94/1066577694.db2.gz LSODKSYZIZWAFH-SIKLNZKXSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 ZINC001361237045 1066577744 /nfs/dbraw/zinc/57/77/44/1066577744.db2.gz LWDCZQWBTXKPOP-WWNPGLIZSA-N 0 0 467.658 4.765 20 0 JJADRN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001445497606 1066577768 /nfs/dbraw/zinc/57/77/68/1066577768.db2.gz DETSRQYQZSPUQM-UHFFFAOYSA-N 0 0 458.961 4.718 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC001445498291 1066577786 /nfs/dbraw/zinc/57/77/86/1066577786.db2.gz FQHCBSSBZVGGSF-HIFRSBDPSA-N 0 0 458.194 4.751 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)NCc2nccn2CCCc2ccccc2)c1C(F)F ZINC001445494952 1066577859 /nfs/dbraw/zinc/57/78/59/1066577859.db2.gz YCXORNCHZSOOBU-UHFFFAOYSA-N 0 0 455.431 4.619 20 0 JJADRN COC(=O)CN(CCC(F)(F)F)C(=O)c1cc2sc(Nc3ccccc3C)nc2s1 ZINC001445492734 1066577943 /nfs/dbraw/zinc/57/79/43/1066577943.db2.gz IFHKQNJTVKRHRW-UHFFFAOYSA-N 0 0 457.499 4.977 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CCSc1ccc(Br)cc1)O[C@H](C)C2 ZINC001361237444 1066578205 /nfs/dbraw/zinc/57/82/05/1066578205.db2.gz ICCCAJPROWXGNC-CQSZACIVSA-N 0 0 450.398 4.970 20 0 JJADRN CC[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Oc1cccc(Cl)c1 ZINC001445503198 1066578231 /nfs/dbraw/zinc/57/82/31/1066578231.db2.gz YYXOQJDEEKNBKY-UPVQGACJSA-N 0 0 450.966 4.655 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC001445502002 1066578255 /nfs/dbraw/zinc/57/82/55/1066578255.db2.gz JFGYCEOSVSGMCF-AZUAARDMSA-N 0 0 458.400 4.838 20 0 JJADRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001445499013 1066578314 /nfs/dbraw/zinc/57/83/14/1066578314.db2.gz VZCJLCYLZXOABD-RXVVDRJESA-N 0 0 458.624 4.843 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ncoc1-c1ccccc1 ZINC001456400697 1066578696 /nfs/dbraw/zinc/57/86/96/1066578696.db2.gz AEXSMNVQBSTEJP-UHFFFAOYSA-N 0 0 454.273 4.943 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 ZINC001361238337 1066579319 /nfs/dbraw/zinc/57/93/19/1066579319.db2.gz VIVKQINAWFPOIY-NFBKMPQASA-N 0 0 497.043 4.577 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456402259 1066579152 /nfs/dbraw/zinc/57/91/52/1066579152.db2.gz QNAINMUVENXRJC-ZIAGYGMSSA-N 0 0 453.370 4.649 20 0 JJADRN COC(=O)C1([C@@]2(O)CCCN(C(=O)/C=C/c3cccc(-c4ccc(Cl)cc4)c3)C2)CCC1 ZINC001456402850 1066579170 /nfs/dbraw/zinc/57/91/70/1066579170.db2.gz ZWJWYJZCRKYCTH-PATFTRMSSA-N 0 0 453.966 4.717 20 0 JJADRN C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456402242 1066579189 /nfs/dbraw/zinc/57/91/89/1066579189.db2.gz QNAINMUVENXRJC-KBPBESRZSA-N 0 0 453.370 4.649 20 0 JJADRN C[C@@H](CC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1C(F)(F)F ZINC001445513834 1066579222 /nfs/dbraw/zinc/57/92/22/1066579222.db2.gz ZHNXTWKVRZTBCO-KRWDZBQOSA-N 0 0 450.476 4.642 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC001445512951 1066579291 /nfs/dbraw/zinc/57/92/91/1066579291.db2.gz JMFLAJUFVFCDPM-HSZRJFAPSA-N 0 0 456.558 4.881 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)o1 ZINC001361238683 1066579834 /nfs/dbraw/zinc/57/98/34/1066579834.db2.gz XDYIZBGOEIOLMF-JOCHJYFZSA-N 0 0 465.598 4.585 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCC(Cc2ccccc2F)CC1 ZINC001445516645 1066579672 /nfs/dbraw/zinc/57/96/72/1066579672.db2.gz SZHVLRKLLVXOLQ-UHFFFAOYSA-N 0 0 451.563 4.895 20 0 JJADRN Cn1nc(C2CCCCC2)cc1NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445516786 1066579932 /nfs/dbraw/zinc/57/99/32/1066579932.db2.gz FENQXGWNELMRMJ-UHFFFAOYSA-N 0 0 457.575 4.823 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001361238807 1066580142 /nfs/dbraw/zinc/58/01/42/1066580142.db2.gz XVVNNLFIQQDXBR-FPOVZHCZSA-N 0 0 491.558 4.591 20 0 JJADRN COC1(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCC(F)(F)CC1 ZINC001456408534 1066580223 /nfs/dbraw/zinc/58/02/23/1066580223.db2.gz HOMQDUXSQJEJOC-UHFFFAOYSA-N 0 0 459.280 4.569 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001361238808 1066580220 /nfs/dbraw/zinc/58/02/20/1066580220.db2.gz XVVNNLFIQQDXBR-PZJWPPBQSA-N 0 0 491.558 4.591 20 0 JJADRN O=C(c1cc2ncccc2o1)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361238879 1066580344 /nfs/dbraw/zinc/58/03/44/1066580344.db2.gz RXRAIVCKHJHLSP-UHFFFAOYSA-N 0 0 454.246 4.572 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001545975939 1066580395 /nfs/dbraw/zinc/58/03/95/1066580395.db2.gz CQHILHJZDBCADS-KRWDZBQOSA-N 0 0 456.315 4.856 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)(F)F)o1 ZINC001361239011 1066580804 /nfs/dbraw/zinc/58/08/04/1066580804.db2.gz ZRCGHDGARCGYMV-MRXNPFEDSA-N 0 0 485.869 4.659 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001445522399 1066580818 /nfs/dbraw/zinc/58/08/18/1066580818.db2.gz GPPJTKBTGKWKCN-SFTDATJTSA-N 0 0 456.970 4.534 20 0 JJADRN CCCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)c1ccc(Cl)cc1 ZINC001456412360 1066580872 /nfs/dbraw/zinc/58/08/72/1066580872.db2.gz NVSIHLGCIKNIKA-UHFFFAOYSA-N 0 0 450.988 4.626 20 0 JJADRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c(C(=O)OC)c1 ZINC001456410047 1066580936 /nfs/dbraw/zinc/58/09/36/1066580936.db2.gz ICINJGWDQWBIMK-UHFFFAOYSA-N 0 0 458.971 4.698 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCCO[C@H](C)C2)c(C)c1 ZINC001361239378 1066581405 /nfs/dbraw/zinc/58/14/05/1066581405.db2.gz DEAVBEWJFZZWFX-GOSISDBHSA-N 0 0 472.431 4.521 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001361239512 1066581434 /nfs/dbraw/zinc/58/14/34/1066581434.db2.gz HMNYAEVZSOWZAK-FBILRYNDSA-N 0 0 481.685 4.646 20 0 JJADRN Cc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c(C)c1 ZINC001361239848 1066581692 /nfs/dbraw/zinc/58/16/92/1066581692.db2.gz KOFSBDYNMVLGRZ-JOCHJYFZSA-N 0 0 476.625 4.569 20 0 JJADRN Cc1cc(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)ncc1C(N)=O ZINC001456417013 1066581814 /nfs/dbraw/zinc/58/18/14/1066581814.db2.gz CEYVJQGCCYDTHH-UHFFFAOYSA-N 0 0 451.954 4.610 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)c1 ZINC001445525302 1066581934 /nfs/dbraw/zinc/58/19/34/1066581934.db2.gz JUMTUSGBFXTGIM-UHFFFAOYSA-N 0 0 453.347 4.943 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nn1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001445527212 1066582447 /nfs/dbraw/zinc/58/24/47/1066582447.db2.gz IMDUYKCSEDRGFP-UHFFFAOYSA-N 0 0 451.313 4.735 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NCCc2nc3cc(Cl)ccc3s2)c1 ZINC001445530001 1066583050 /nfs/dbraw/zinc/58/30/50/1066583050.db2.gz KJFZTTMNTVRCGC-UHFFFAOYSA-N 0 0 458.996 4.595 20 0 JJADRN O=Cc1cn(CC(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c2ccccc12 ZINC001445528397 1066583115 /nfs/dbraw/zinc/58/31/15/1066583115.db2.gz GULSOCMLRVGJMU-UHFFFAOYSA-N 0 0 457.715 4.899 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361241422 1066583161 /nfs/dbraw/zinc/58/31/61/1066583161.db2.gz DDKKBTSSODGUOJ-UHFFFAOYSA-N 0 0 472.431 4.576 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@H](O)c1ccccc1F ZINC001445530924 1066583257 /nfs/dbraw/zinc/58/32/57/1066583257.db2.gz CNDGDXNQTJINGR-KRWDZBQOSA-N 0 0 450.894 4.704 20 0 JJADRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC001445531787 1066583566 /nfs/dbraw/zinc/58/35/66/1066583566.db2.gz IXTHNPZRYVCLMI-AUUYWEPGSA-N 0 0 456.327 4.713 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241791 1066583724 /nfs/dbraw/zinc/58/37/24/1066583724.db2.gz PFSQCQKZXBQIGG-NRFANRHFSA-N 0 0 464.614 4.565 20 0 JJADRN COc1ccc([C@H](NC(=O)COc2ccc(F)cc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001456432453 1066583897 /nfs/dbraw/zinc/58/38/97/1066583897.db2.gz PSKBPMUIJZRPFE-DEOSSOPVSA-N 0 0 459.901 4.790 20 0 JJADRN Cc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC001361241961 1066584226 /nfs/dbraw/zinc/58/42/26/1066584226.db2.gz WMUYMNJMJAWPBJ-UHFFFAOYSA-N 0 0 457.500 4.547 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)c1 ZINC001546082433 1066584353 /nfs/dbraw/zinc/58/43/53/1066584353.db2.gz RYLDWVOFLIMZOB-UHFFFAOYSA-N 0 0 452.551 4.608 20 0 JJADRN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456433501 1066584403 /nfs/dbraw/zinc/58/44/03/1066584403.db2.gz SGQGZFPBHSHAKQ-ROUUACIJSA-N 0 0 455.530 4.723 20 0 JJADRN C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456433495 1066584431 /nfs/dbraw/zinc/58/44/31/1066584431.db2.gz SGQGZFPBHSHAKQ-QZTJIDSGSA-N 0 0 455.530 4.723 20 0 JJADRN Cc1ccc(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)C)C2)c(C)c1 ZINC001361242648 1066584674 /nfs/dbraw/zinc/58/46/74/1066584674.db2.gz CKPWPIBAYOURFT-DNQXCXABSA-N 0 0 497.684 4.928 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c1 ZINC001545976411 1066584814 /nfs/dbraw/zinc/58/48/14/1066584814.db2.gz NWASRNQJXCOYKL-NRFANRHFSA-N 0 0 455.555 4.649 20 0 JJADRN CC[C@H]1c2ccccc2CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001456434425 1066584949 /nfs/dbraw/zinc/58/49/49/1066584949.db2.gz WVDIRYZIFOXECM-IBGZPJMESA-N 0 0 457.315 4.627 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)cc1 ZINC001361243447 1066585139 /nfs/dbraw/zinc/58/51/39/1066585139.db2.gz NHAYENZXCULXAW-IRLDBZIGSA-N 0 0 485.698 4.885 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001445540033 1066585401 /nfs/dbraw/zinc/58/54/01/1066585401.db2.gz LJBQMALMKJCFJG-FCHUYYIVSA-N 0 0 450.604 4.742 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)n1 ZINC001445542548 1066585651 /nfs/dbraw/zinc/58/56/51/1066585651.db2.gz OPHNIXVNGBKVJN-IBGZPJMESA-N 0 0 453.564 4.866 20 0 JJADRN COc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc(OC)c1OC(F)F ZINC001445541873 1066585732 /nfs/dbraw/zinc/58/57/32/1066585732.db2.gz JZGXCPSQNGYMCQ-UHFFFAOYSA-N 0 0 452.841 4.852 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001445542176 1066585749 /nfs/dbraw/zinc/58/57/49/1066585749.db2.gz WIBVJAPBFCPPDK-PIBDYAPNSA-N 0 0 454.586 4.910 20 0 JJADRN CN(CCC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)C(=O)OCc1ccccc1 ZINC001456437042 1066585755 /nfs/dbraw/zinc/58/57/55/1066585755.db2.gz CDZQFUAUQMYHLQ-JGCGQSQUSA-N 0 0 450.560 4.592 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c(Cl)c1 ZINC001456436920 1066585878 /nfs/dbraw/zinc/58/58/78/1066585878.db2.gz BCNWKNHSDHXCRV-WJOKGBTCSA-N 0 0 455.967 4.994 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1 ZINC001361243985 1066586174 /nfs/dbraw/zinc/58/61/74/1066586174.db2.gz ZQBVYBYIWIZLJT-JTHBVZDNSA-N 0 0 483.657 4.825 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1Cl ZINC001456439439 1066586444 /nfs/dbraw/zinc/58/64/44/1066586444.db2.gz FKDVRRVZHBHNOO-UHFFFAOYSA-N 0 0 450.672 4.556 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001456438993 1066586465 /nfs/dbraw/zinc/58/64/65/1066586465.db2.gz ZNUSRRNMIAAGCY-OAHLLOKOSA-N 0 0 451.470 4.548 20 0 JJADRN Cc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCCC(C)(C)C2)c(C)c1 ZINC001361245003 1066586559 /nfs/dbraw/zinc/58/65/59/1066586559.db2.gz ALDNLSPFRLTJEC-UHFFFAOYSA-N 0 0 451.640 4.756 20 0 JJADRN Cc1ccc(CCn2c(N(C)[C@H](C)c3ccco3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245085 1066586625 /nfs/dbraw/zinc/58/66/25/1066586625.db2.gz DEPVZGJGARSNRD-RLWLMLJZSA-N 0 0 452.599 4.969 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC001361244362 1066586651 /nfs/dbraw/zinc/58/66/51/1066586651.db2.gz JOIOUPWLZXVSTR-JOCHJYFZSA-N 0 0 457.603 4.901 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CCc2ccc(C)cc2C)n1 ZINC001361245446 1066587026 /nfs/dbraw/zinc/58/70/26/1066587026.db2.gz OYNYZRFSOHQWDA-UHFFFAOYSA-N 0 0 497.441 4.991 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3COc3ccc(F)cc3)s2)cc1OC ZINC001456442089 1066587311 /nfs/dbraw/zinc/58/73/11/1066587311.db2.gz KCGOFXAGMQBLOT-SFHVURJKSA-N 0 0 456.539 4.958 20 0 JJADRN Cc1ccc(CCn2c(N(C)C[C@@H]3CC=CCC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245715 1066587489 /nfs/dbraw/zinc/58/74/89/1066587489.db2.gz SLMFQCYQAUXAQC-KCWPFWIISA-N 0 0 452.643 4.971 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001361245626 1066587638 /nfs/dbraw/zinc/58/76/38/1066587638.db2.gz DRLAYFJJLPXLMV-WJOKGBTCSA-N 0 0 451.445 4.770 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1C ZINC001456444992 1066587737 /nfs/dbraw/zinc/58/77/37/1066587737.db2.gz IFNWJGRZCOAYRS-GJZUVCINSA-N 0 0 452.620 4.603 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccc(C)cc2)no1 ZINC001361245945 1066587917 /nfs/dbraw/zinc/58/79/17/1066587917.db2.gz WCGJXJACJSAFCZ-QFIPXVFZSA-N 0 0 480.613 4.834 20 0 JJADRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(CSC3CCCCC3)c2)C1=O ZINC001456445700 1066588589 /nfs/dbraw/zinc/58/85/89/1066588589.db2.gz ROZYPRLOFQGFBB-VWLOTQADSA-N 0 0 451.592 4.658 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccco2)s1 ZINC001361246826 1066588850 /nfs/dbraw/zinc/58/88/50/1066588850.db2.gz FNBZYZACDNNJIK-VWLOTQADSA-N 0 0 479.606 4.654 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCOC2)s1 ZINC001361246808 1066588942 /nfs/dbraw/zinc/58/89/42/1066588942.db2.gz DMRJOSZXUWBSTI-LJQANCHMSA-N 0 0 453.612 4.580 20 0 JJADRN CC(C)(C)c1noc(-c2ccccc2C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC001456448401 1066589065 /nfs/dbraw/zinc/58/90/65/1066589065.db2.gz LUXAMGJVWYNZJQ-UHFFFAOYSA-N 0 0 451.914 4.710 20 0 JJADRN CO[C@](C)(C(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1)C(=O)OC(C)(C)C ZINC001456449266 1066589393 /nfs/dbraw/zinc/58/93/93/1066589393.db2.gz VBOJDIZJTBIJPF-XMMPIXPASA-N 0 0 457.958 4.732 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)c1 ZINC001361247505 1066589964 /nfs/dbraw/zinc/58/99/64/1066589964.db2.gz FNGZYOMHODYLIV-OAQYLSRUSA-N 0 0 455.605 4.548 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc2)n[nH]1 ZINC001445583306 1066590498 /nfs/dbraw/zinc/59/04/98/1066590498.db2.gz GHWBPWGLKCLCRK-FQEVSTJZSA-N 0 0 458.465 4.993 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1cccn(Cc3ccccc3)c1=O)N2C(=O)OC(C)(C)C ZINC001445584138 1066590597 /nfs/dbraw/zinc/59/05/97/1066590597.db2.gz OOQSWJVGOACSNV-HSZRJFAPSA-N 0 0 459.546 4.510 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001456451410 1066590665 /nfs/dbraw/zinc/59/06/65/1066590665.db2.gz XJYCZJRTCJMRGE-UHFFFAOYSA-N 0 0 459.731 4.535 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001361248110 1066590787 /nfs/dbraw/zinc/59/07/87/1066590787.db2.gz GXRVSHYKKOWGCA-IBGZPJMESA-N 0 0 483.588 4.744 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)c2)cc1 ZINC001456452088 1066591030 /nfs/dbraw/zinc/59/10/30/1066591030.db2.gz YGQSFMLUJWZKGR-SFHVURJKSA-N 0 0 450.560 4.537 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 ZINC001445585307 1066591149 /nfs/dbraw/zinc/59/11/49/1066591149.db2.gz MIEGKXLGLQYSSB-FQEVSTJZSA-N 0 0 450.543 4.504 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001456452537 1066591453 /nfs/dbraw/zinc/59/14/53/1066591453.db2.gz QAUPUACXPYQOBP-UHFFFAOYSA-N 0 0 453.457 4.511 20 0 JJADRN CCn1c(SCC(=O)NCc2csc(-c3ccco3)n2)nnc1-c1ccc(Cl)cc1 ZINC001445586425 1066591631 /nfs/dbraw/zinc/59/16/31/1066591631.db2.gz VEQMAMWZVUOOOF-UHFFFAOYSA-N 0 0 459.984 4.743 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n[nH]1 ZINC001445590529 1066592608 /nfs/dbraw/zinc/59/26/08/1066592608.db2.gz SOQWHBIFBOYVFB-KKSFZXQISA-N 0 0 459.333 4.975 20 0 JJADRN COc1cc(NC2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C)CC2)cc(OC)c1 ZINC001445589233 1066592684 /nfs/dbraw/zinc/59/26/84/1066592684.db2.gz XXRPLPQHKFLLCO-UHFFFAOYSA-N 0 0 454.958 4.568 20 0 JJADRN CN(C)c1nc2cc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)ccc2o1 ZINC001445597062 1066593591 /nfs/dbraw/zinc/59/35/91/1066593591.db2.gz ILWWVGUJADGFOQ-UHFFFAOYSA-N 0 0 455.312 4.883 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC001456471025 1066593782 /nfs/dbraw/zinc/59/37/82/1066593782.db2.gz UBHYWDSQDJZSAO-KHCICDEESA-N 0 0 450.608 4.860 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccccc1Br ZINC001445603250 1066594091 /nfs/dbraw/zinc/59/40/91/1066594091.db2.gz UEMYGTQMHWXNSZ-QGZVFWFLSA-N 0 0 455.274 4.561 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCn2ccnc2C)s1 ZINC001361249840 1066594722 /nfs/dbraw/zinc/59/47/22/1066594722.db2.gz HKNBNHFNZIUGAY-UHFFFAOYSA-N 0 0 471.428 4.919 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCCC2(C)C)o1 ZINC001361249914 1066595122 /nfs/dbraw/zinc/59/51/22/1066595122.db2.gz KEEIYEJANVIMLB-NRFANRHFSA-N 0 0 462.392 4.515 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545977046 1066595419 /nfs/dbraw/zinc/59/54/19/1066595419.db2.gz DEZDYBMGOAMADR-OAQYLSRUSA-N 0 0 479.629 4.670 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCC2CCOCC2)o1 ZINC001361250060 1066595622 /nfs/dbraw/zinc/59/56/22/1066595622.db2.gz PJTXBHOOXHMNIX-UHFFFAOYSA-N 0 0 476.419 4.791 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001361250026 1066595692 /nfs/dbraw/zinc/59/56/92/1066595692.db2.gz OEBFINKTGGSIDE-UHFFFAOYSA-N 0 0 455.990 4.785 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC001456483744 1066595647 /nfs/dbraw/zinc/59/56/47/1066595647.db2.gz BCSQVIBTEAKQTH-LLVKDONJSA-N 0 0 455.433 4.676 20 0 JJADRN CO[C@@H](C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)c1ccc(Br)s1 ZINC001456484014 1066595703 /nfs/dbraw/zinc/59/57/03/1066595703.db2.gz YKTAAJVJZYFQEF-TYJKZOGGSA-N 0 0 453.402 4.867 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC001456483747 1066595818 /nfs/dbraw/zinc/59/58/18/1066595818.db2.gz BCSQVIBTEAKQTH-NSHDSACASA-N 0 0 455.433 4.676 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCSC2)s1 ZINC001361250089 1066596166 /nfs/dbraw/zinc/59/61/66/1066596166.db2.gz QEXCXPLDQJWOKF-ZDUSSCGKSA-N 0 0 452.447 4.795 20 0 JJADRN CCCc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cnn1-c1ccccc1 ZINC001456486648 1066596205 /nfs/dbraw/zinc/59/62/05/1066596205.db2.gz JNFKJBHRSUKAJY-UHFFFAOYSA-N 0 0 455.480 4.977 20 0 JJADRN CCCC[C@H](CCC)CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC001445632277 1066596212 /nfs/dbraw/zinc/59/62/12/1066596212.db2.gz PMFFYQLRCYIMLU-PXNSSMCTSA-N 0 0 452.437 4.846 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCOCC(C)C)o1 ZINC001361250145 1066596361 /nfs/dbraw/zinc/59/63/61/1066596361.db2.gz SJHZZBKJSXAGQO-UHFFFAOYSA-N 0 0 464.408 4.647 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCSCC(C)C)o1 ZINC001361250348 1066596701 /nfs/dbraw/zinc/59/67/01/1066596701.db2.gz WPKHFMAZCOOOOU-UHFFFAOYSA-N 0 0 466.449 4.973 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1ccccn1 ZINC001456486895 1066596721 /nfs/dbraw/zinc/59/67/21/1066596721.db2.gz FWFUHTFMTARODC-SFHVURJKSA-N 0 0 454.534 4.529 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2cccc3c2CCOC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001456487433 1066596814 /nfs/dbraw/zinc/59/68/14/1066596814.db2.gz HWABELDZAPHFMK-UHFFFAOYSA-N 0 0 454.448 4.960 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N2CCCCC2)s1 ZINC001361250320 1066596794 /nfs/dbraw/zinc/59/67/94/1066596794.db2.gz VRYNUBZZYIUBFB-UHFFFAOYSA-N 0 0 489.592 4.955 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)on1 ZINC001361250456 1066596899 /nfs/dbraw/zinc/59/68/99/1066596899.db2.gz IEJMAQHEALRHJD-UHFFFAOYSA-N 0 0 455.580 4.642 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001361250181 1066596933 /nfs/dbraw/zinc/59/69/33/1066596933.db2.gz AXLMJSWCTCLZRD-RUZDIDTESA-N 0 0 454.571 4.850 20 0 JJADRN COC(=O)C[C@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001445636216 1066596960 /nfs/dbraw/zinc/59/69/60/1066596960.db2.gz ZMUPKNDLVMZFSS-CNEDASOKSA-N 0 0 450.560 4.694 20 0 JJADRN O=C(c1sc(Cl)nc1C(F)(F)F)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001456487336 1066596945 /nfs/dbraw/zinc/59/69/45/1066596945.db2.gz MCVVYNIPXUHICV-UHFFFAOYSA-N 0 0 456.795 4.968 20 0 JJADRN COc1cc(CN(C)C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)ccc1O ZINC001445637180 1066597013 /nfs/dbraw/zinc/59/70/13/1066597013.db2.gz HKQAMMLNWAGIDJ-UHFFFAOYSA-N 0 0 454.567 4.626 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CC1=O ZINC001361250719 1066597168 /nfs/dbraw/zinc/59/71/68/1066597168.db2.gz OCXREMFAEABOIM-AZUAARDMSA-N 0 0 456.546 4.839 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@H](C)Oc1ccccc1 ZINC001456491620 1066598007 /nfs/dbraw/zinc/59/80/07/1066598007.db2.gz JCBNJIVTYASTNS-SJORKVTESA-N 0 0 451.348 4.834 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H](O)C2)o1 ZINC001361251076 1066598235 /nfs/dbraw/zinc/59/82/35/1066598235.db2.gz HOFHEEJSJKQVAG-IRXDYDNUSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)s1 ZINC001361251208 1066598387 /nfs/dbraw/zinc/59/83/87/1066598387.db2.gz JGLPMTWQVLAMMB-UHFFFAOYSA-N 0 0 467.422 4.800 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)Oc1ccccc1 ZINC001456492084 1066598497 /nfs/dbraw/zinc/59/84/97/1066598497.db2.gz JUWMSMXOOGUWES-HNAYVOBHSA-N 0 0 452.473 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001456492583 1066598522 /nfs/dbraw/zinc/59/85/22/1066598522.db2.gz OCHRUCGMJIBJIQ-MRXNPFEDSA-N 0 0 456.974 4.804 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC001445653322 1066598603 /nfs/dbraw/zinc/59/86/03/1066598603.db2.gz WSUFGVPHNXTUDQ-HSZRJFAPSA-N 0 0 454.567 4.592 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001456494202 1066599018 /nfs/dbraw/zinc/59/90/18/1066599018.db2.gz MIDWBPCDWBYAJH-NHCUHLMSSA-N 0 0 458.628 4.797 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)N(C)C)c2)s1 ZINC001361251588 1066599469 /nfs/dbraw/zinc/59/94/69/1066599469.db2.gz XXWBSVOCQKHUGG-UHFFFAOYSA-N 0 0 495.052 4.944 20 0 JJADRN C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Oc1ccccc1 ZINC001456496521 1066599787 /nfs/dbraw/zinc/59/97/87/1066599787.db2.gz PSTKXTGIHRQFKT-ZDUSSCGKSA-N 0 0 451.363 4.766 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(S(C)(=O)=O)cc(C)c3C)s2)cc1 ZINC001456496781 1066599898 /nfs/dbraw/zinc/59/98/98/1066599898.db2.gz CWFZVXGNFNTJAI-OAHLLOKOSA-N 0 0 458.605 4.638 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC001361252728 1066600404 /nfs/dbraw/zinc/60/04/04/1066600404.db2.gz KJJJBVWJTIKVAJ-UWJYYQICSA-N 0 0 454.567 4.633 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)s1 ZINC001361253026 1066600416 /nfs/dbraw/zinc/60/04/16/1066600416.db2.gz UZCLKGNRCQYLGA-UHFFFAOYSA-N 0 0 456.616 4.651 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCCC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598196 1066600430 /nfs/dbraw/zinc/60/04/30/1066600430.db2.gz KKJRDVXGUXTEEX-RLWLMLJZSA-N 0 0 456.631 4.721 20 0 JJADRN CCOc1c(Br)cc(C(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001445675786 1066600441 /nfs/dbraw/zinc/60/04/41/1066600441.db2.gz JEBHKCKFERJEPS-GOSISDBHSA-N 0 0 450.373 4.617 20 0 JJADRN COc1ccc(-n2nc(C(=O)N3CCC[C@@H]3c3c(C)nn(CC(C)C)c3Cl)cc2C)cc1 ZINC001445676313 1066601066 /nfs/dbraw/zinc/60/10/66/1066601066.db2.gz FZESGAAZGJXONY-OAQYLSRUSA-N 0 0 455.990 4.981 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001361253565 1066601054 /nfs/dbraw/zinc/60/10/54/1066601054.db2.gz YHDXIEDFQVLVTP-UHFFFAOYSA-N 0 0 452.938 4.811 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)cc2)s1 ZINC001361253075 1066601109 /nfs/dbraw/zinc/60/11/09/1066601109.db2.gz WRPNOZIGKXBNQS-UHFFFAOYSA-N 0 0 471.428 4.690 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001456499765 1066601649 /nfs/dbraw/zinc/60/16/49/1066601649.db2.gz DVXMDSHKZWFFOS-XXBNENTESA-N 0 0 451.364 4.964 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C ZINC001361253748 1066601747 /nfs/dbraw/zinc/60/17/47/1066601747.db2.gz GSPUZXMSZRRYCH-HNNXBMFYSA-N 0 0 450.461 4.748 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cc(COC(C)(C)C)on2)s1 ZINC001361253930 1066601784 /nfs/dbraw/zinc/60/17/84/1066601784.db2.gz DAERPNXTFUSWOX-HXUWFJFHSA-N 0 0 459.616 4.877 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCSCC(F)(F)F)s1 ZINC001361254245 1066602508 /nfs/dbraw/zinc/60/25/08/1066602508.db2.gz HZEBLBLPNVJJAQ-UHFFFAOYSA-N 0 0 494.568 4.896 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2nc(-c3ccccc3)cs2)CC1 ZINC001445681678 1066602492 /nfs/dbraw/zinc/60/24/92/1066602492.db2.gz IATUESIBGKSYOD-UHFFFAOYSA-N 0 0 453.633 4.958 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001445681065 1066602512 /nfs/dbraw/zinc/60/25/12/1066602512.db2.gz SMRWDWKGOAQGEZ-ZHRRBRCNSA-N 0 0 456.990 4.514 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001445681499 1066602556 /nfs/dbraw/zinc/60/25/56/1066602556.db2.gz UMZDYEYCZIVHNE-GFCCVEGCSA-N 0 0 452.418 4.611 20 0 JJADRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445686544 1066602983 /nfs/dbraw/zinc/60/29/83/1066602983.db2.gz KTZHOSRHMQYEMG-BVZFJXPGSA-N 0 0 451.950 4.978 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(N4CCOC4=O)ccc3F)s2)cc1 ZINC001456501850 1066603057 /nfs/dbraw/zinc/60/30/57/1066603057.db2.gz ZGWDSUGSJQEAHM-ZDUSSCGKSA-N 0 0 455.511 4.714 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)C2)cc(OC)c1 ZINC001445688888 1066603784 /nfs/dbraw/zinc/60/37/84/1066603784.db2.gz LBRVDTJRJLBICN-NRFANRHFSA-N 0 0 458.558 4.960 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001445690614 1066604400 /nfs/dbraw/zinc/60/44/00/1066604400.db2.gz RCWKHMUWMYYPDJ-SQJMNOBHSA-N 0 0 450.966 4.595 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)C2)cc(OC)c1 ZINC001445694777 1066604972 /nfs/dbraw/zinc/60/49/72/1066604972.db2.gz WIWSDRSZFUTRMG-LJQANCHMSA-N 0 0 455.555 4.768 20 0 JJADRN COc1cccc([C@H](C)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361256695 1066604997 /nfs/dbraw/zinc/60/49/97/1066604997.db2.gz FYHRFKLFIAFSDF-QMHKHESXSA-N 0 0 457.979 4.761 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001361256666 1066605087 /nfs/dbraw/zinc/60/50/87/1066605087.db2.gz FLDKSBZPMDTOQH-NTKDMRAZSA-N 0 0 459.055 4.900 20 0 JJADRN CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001456507944 1066605043 /nfs/dbraw/zinc/60/50/43/1066605043.db2.gz JZIRKRTWUSKMGT-CQSZACIVSA-N 0 0 457.337 4.848 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccnc(OCc2ccccc2)c1 ZINC001445691921 1066605086 /nfs/dbraw/zinc/60/50/86/1066605086.db2.gz TTXNKVUFUQDEIW-SANMLTNESA-N 0 0 454.526 4.703 20 0 JJADRN COc1cc(C)cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1C ZINC001361257424 1066605595 /nfs/dbraw/zinc/60/55/95/1066605595.db2.gz NQZYBJLOUYSVOS-QHCPKHFHSA-N 0 0 457.979 4.888 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)C1 ZINC001361256806 1066605610 /nfs/dbraw/zinc/60/56/10/1066605610.db2.gz GETJGQYMOBTOIJ-QFQXNSOFSA-N 0 0 452.551 4.670 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CC[C@H](c4nccc(C(F)(F)F)n4)C3)cc2c1Br ZINC001456508140 1066605737 /nfs/dbraw/zinc/60/57/37/1066605737.db2.gz BQGZRHBUBCWLPP-NSHDSACASA-N 0 0 453.262 4.677 20 0 JJADRN C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361257060 1066605699 /nfs/dbraw/zinc/60/56/99/1066605699.db2.gz IYIQHCHLPMFHAC-JXFKEZNVSA-N 0 0 452.904 4.678 20 0 JJADRN CC[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC(C)C)c1ccccc1 ZINC001545978036 1066606454 /nfs/dbraw/zinc/60/64/54/1066606454.db2.gz WOWVUQDDFDAPEA-HXUWFJFHSA-N 0 0 468.671 4.914 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456511327 1066606944 /nfs/dbraw/zinc/60/69/44/1066606944.db2.gz GKRRWOMIRMAQHP-OTWHNJEPSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)s1 ZINC001361258091 1066606946 /nfs/dbraw/zinc/60/69/46/1066606946.db2.gz OKUBGKYVNHSKRO-UHFFFAOYSA-N 0 0 492.615 4.935 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCN(C)c2ccccc2F)s1 ZINC001361258300 1066607562 /nfs/dbraw/zinc/60/75/62/1066607562.db2.gz RRYXGHWTUAGZOC-UHFFFAOYSA-N 0 0 464.614 4.936 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001456513677 1066608599 /nfs/dbraw/zinc/60/85/99/1066608599.db2.gz IJBQHEONZVGFBZ-UTKZUKDTSA-N 0 0 457.546 4.613 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)o1 ZINC001361258790 1066609030 /nfs/dbraw/zinc/60/90/30/1066609030.db2.gz DRQLRBNEGBGDIT-UHFFFAOYSA-N 0 0 475.435 4.988 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC001445713065 1066609271 /nfs/dbraw/zinc/60/92/71/1066609271.db2.gz PVPQZBREAZGYGV-AWEZNQCLSA-N 0 0 454.821 4.763 20 0 JJADRN Cc1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456519343 1066610377 /nfs/dbraw/zinc/61/03/77/1066610377.db2.gz RHVSESCXRUVYBM-UHFFFAOYSA-N 0 0 452.570 4.681 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)nc2)cc1 ZINC001456519353 1066610443 /nfs/dbraw/zinc/61/04/43/1066610443.db2.gz NSGPSHNVQKJGTO-DYESRHJHSA-N 0 0 455.555 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)s1 ZINC001361261093 1066611651 /nfs/dbraw/zinc/61/16/51/1066611651.db2.gz HDJQMBWFMQBBPA-CGTJXYLNSA-N 0 0 454.587 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445726730 1066611740 /nfs/dbraw/zinc/61/17/40/1066611740.db2.gz WHEXDBCVYCRGJQ-LSUHJGNXSA-N 0 0 452.595 4.805 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445724053 1066611832 /nfs/dbraw/zinc/61/18/32/1066611832.db2.gz PQFPVRXNQOGCCQ-JOCHJYFZSA-N 0 0 452.963 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1C(F)(F)F ZINC001456522018 1066612315 /nfs/dbraw/zinc/61/23/15/1066612315.db2.gz WYTLCSBPLAXCAT-CBSYKJJGSA-N 0 0 450.501 4.942 20 0 JJADRN Cc1cc(CCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1Br ZINC001456523519 1066612406 /nfs/dbraw/zinc/61/24/06/1066612406.db2.gz RIMGQDYGYZUZOQ-IEBWSBKVSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2nccs2)o1 ZINC001361261150 1066612425 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LUEMHWGIGITAKS-QWHCGFSZSA-N 0 0 450.284 4.747 20 0 JJADRN COC(=O)Cc1csc(N(C)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC001456529341 1066614113 /nfs/dbraw/zinc/61/41/13/1066614113.db2.gz QHHLAPRTKJZDKN-ARJAWSKDSA-N 0 0 452.376 4.572 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1 ZINC001456528558 1066614289 /nfs/dbraw/zinc/61/42/89/1066614289.db2.gz NTVKDXXUMZOZGR-KRWDZBQOSA-N 0 0 456.568 4.564 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4[nH]c(C)nc4c3)cc2)c1C(F)(F)F ZINC001445751781 1066614497 /nfs/dbraw/zinc/61/44/97/1066614497.db2.gz SGIVLWJTOWWSMK-UHFFFAOYSA-N 0 0 457.412 4.505 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@@H](O)c1ccc(F)cc1 ZINC001445751107 1066614695 /nfs/dbraw/zinc/61/46/95/1066614695.db2.gz YPVYSXGCAZIYNE-YCRPNKLZSA-N 0 0 458.559 4.513 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2C[C@@H]2CCCCS2(=O)=O)s1 ZINC001361261976 1066614841 /nfs/dbraw/zinc/61/48/41/1066614841.db2.gz MVURGKNJYGDGSD-FQEVSTJZSA-N 0 0 462.641 4.539 20 0 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CCN1C(=O)C[C@@H](C(=O)NCC2(c3cccc(Br)c3)CC2)[C@H]1c1cccc(C)c1 ZINC001456537443 1066617468 /nfs/dbraw/zinc/61/74/68/1066617468.db2.gz WVBWJVXDODWMEI-IFMALSPDSA-N 0 0 455.396 4.515 20 0 JJADRN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC001445785727 1066617592 /nfs/dbraw/zinc/61/75/92/1066617592.db2.gz XCXLPTPAEKPIAO-KRWDZBQOSA-N 0 0 451.391 4.820 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)c2c1C ZINC001445791929 1066618121 /nfs/dbraw/zinc/61/81/21/1066618121.db2.gz BWQWODILTCONEF-MLCYQJTMSA-N 0 0 453.992 4.739 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@H](O)c3c(F)cccc3Cl)c2c1C ZINC001445791939 1066618145 /nfs/dbraw/zinc/61/81/45/1066618145.db2.gz BWQWODILTCONEF-YPMLDQLKSA-N 0 0 453.992 4.739 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)c2c1C ZINC001445791934 1066618175 /nfs/dbraw/zinc/61/81/75/1066618175.db2.gz BWQWODILTCONEF-XTZNXHDOSA-N 0 0 453.992 4.739 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCOCC2)cn1 ZINC001361266673 1066618536 /nfs/dbraw/zinc/61/85/36/1066618536.db2.gz CPZSWHNOSRWJQZ-GOSISDBHSA-N 0 0 455.990 4.686 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 ZINC001456538727 1066618596 /nfs/dbraw/zinc/61/85/96/1066618596.db2.gz YUVPNHFVPMDFCG-FQEVSTJZSA-N 0 0 454.636 4.981 20 0 JJADRN COc1ccc(C(F)(F)C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1 ZINC001456538069 1066618719 /nfs/dbraw/zinc/61/87/19/1066618719.db2.gz DDMMFMNZNWKFJT-UHFFFAOYSA-N 0 0 455.177 4.524 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H](O)c1c(Cl)cccc1Cl ZINC001445795256 1066618743 /nfs/dbraw/zinc/61/87/43/1066618743.db2.gz FXBOYXISLPEKKS-DEYYWGMASA-N 0 0 457.398 4.569 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445795286 1066618754 /nfs/dbraw/zinc/61/87/54/1066618754.db2.gz FXTNFVOQHIUHOQ-DLVCFXQMSA-N 0 0 451.394 4.685 20 0 JJADRN COC(=O)c1cnc(N(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C2CC2)s1 ZINC001456539281 1066619300 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JPIIVZNADCGRLG-GOSISDBHSA-N 0 0 454.901 4.798 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1OCC1CC1 ZINC001361267984 1066620661 /nfs/dbraw/zinc/62/06/61/1066620661.db2.gz FYODRAPOCSXSPY-JOCHJYFZSA-N 0 0 483.657 4.815 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCc1cccc(Cl)c1F ZINC001361268066 1066620723 /nfs/dbraw/zinc/62/07/23/1066620723.db2.gz UVFRWHIBDRBOGQ-UHFFFAOYSA-N 0 0 453.930 4.530 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC2CCOCC2)s1 ZINC001361268200 1066620748 /nfs/dbraw/zinc/62/07/48/1066620748.db2.gz IBCDUGHRVVCUKZ-UHFFFAOYSA-N 0 0 464.433 4.707 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC(F)(F)C2)s1 ZINC001361268414 1066621226 /nfs/dbraw/zinc/62/12/26/1066621226.db2.gz KILKECKAZPZJFS-UHFFFAOYSA-N 0 0 470.387 4.946 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001361268532 1066621369 /nfs/dbraw/zinc/62/13/69/1066621369.db2.gz UDWCMAUQXDSDPA-MSOLQXFVSA-N 0 0 488.057 4.808 20 0 JJADRN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cnn(-c2cccc(Br)c2)c1 ZINC001456546397 1066621740 /nfs/dbraw/zinc/62/17/40/1066621740.db2.gz ISRQTDSTCCXADZ-UHFFFAOYSA-N 0 0 456.340 4.693 20 0 JJADRN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1c(Cl)cccc1Br ZINC001445807415 1066621834 /nfs/dbraw/zinc/62/18/34/1066621834.db2.gz QPEXNJDXLJSLMJ-SECBINFHSA-N 0 0 453.547 4.579 20 0 JJADRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(NCc2ccsc2)cc1 ZINC001445807519 1066621918 /nfs/dbraw/zinc/62/19/18/1066621918.db2.gz RACXTZHYBCVRML-KRWDZBQOSA-N 0 0 451.375 4.837 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N2CCCCC[C@H]2c2ccco2)nnc1-c1ccccc1 ZINC001456545894 1066621817 /nfs/dbraw/zinc/62/18/17/1066621817.db2.gz LRQSTYOEGXLMFU-QUCCMNQESA-N 0 0 454.596 4.982 20 0 JJADRN Cc1ccc(C(=O)N2CCC3(CO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1C(F)(F)F ZINC001456547228 1066621986 /nfs/dbraw/zinc/62/19/86/1066621986.db2.gz BVEACJDUKOOIPI-KRWDZBQOSA-N 0 0 456.505 4.550 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCOC(C)(C)C)c(F)c1 ZINC001361268813 1066622521 /nfs/dbraw/zinc/62/25/21/1066622521.db2.gz QRJWDTDNEZUBIJ-UHFFFAOYSA-N 0 0 478.410 4.793 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001445813140 1066622645 /nfs/dbraw/zinc/62/26/45/1066622645.db2.gz IZPVURYHUZDIBG-HNNXBMFYSA-N 0 0 455.502 4.877 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccccc1CSC1=NCCS1 ZINC001445812753 1066622669 /nfs/dbraw/zinc/62/26/69/1066622669.db2.gz DZXJTFJVPXQRRB-KRWDZBQOSA-N 0 0 451.658 4.836 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1F ZINC001361269072 1066622938 /nfs/dbraw/zinc/62/29/38/1066622938.db2.gz WRGCXZJVKKNTPU-UHFFFAOYSA-N 0 0 475.391 4.933 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC001361269415 1066622950 /nfs/dbraw/zinc/62/29/50/1066622950.db2.gz AZSKQXYFVGLKOV-UHFFFAOYSA-N 0 0 458.561 4.638 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361269355 1066622972 /nfs/dbraw/zinc/62/29/72/1066622972.db2.gz HXCKOIKFAJWHKV-CTNGQTDRSA-N 0 0 456.542 4.873 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(C)C)C2)s1 ZINC001456551245 1066623029 /nfs/dbraw/zinc/62/30/29/1066623029.db2.gz OYDIZTKTEFZKAD-CQSZACIVSA-N 0 0 458.971 4.522 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445822237 1066623700 /nfs/dbraw/zinc/62/37/00/1066623700.db2.gz MXXZIJFIZIAEDQ-RBUKOAKNSA-N 0 0 455.640 4.613 20 0 JJADRN O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001456556468 1066624257 /nfs/dbraw/zinc/62/42/57/1066624257.db2.gz SBWTXIIJIVLEEQ-UHFFFAOYSA-N 0 0 452.686 4.969 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)C(C)(C)CCCc1ccccc1)CC2 ZINC001456558889 1066624336 /nfs/dbraw/zinc/62/43/36/1066624336.db2.gz NGVWIQLYXGMSFE-QFIPXVFZSA-N 0 0 458.643 4.958 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3ccc(F)cc3)o1)CC2 ZINC001456560245 1066624983 /nfs/dbraw/zinc/62/49/83/1066624983.db2.gz OILAGRHWAIMPNO-LJQANCHMSA-N 0 0 458.530 4.622 20 0 JJADRN C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)COc1ccc(C=O)cc1Br ZINC001456560293 1066624998 /nfs/dbraw/zinc/62/49/98/1066624998.db2.gz AYKAVHCXLUQUTJ-IBGZPJMESA-N 0 0 456.789 4.979 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Br)nnc2N(C)CC2CCOCC2)s1 ZINC001361271810 1066624965 /nfs/dbraw/zinc/62/49/65/1066624965.db2.gz CFKMIAPCZVFFSF-UHFFFAOYSA-N 0 0 461.429 4.989 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1)c1ccccc1 ZINC001361271368 1066625047 /nfs/dbraw/zinc/62/50/47/1066625047.db2.gz XDUMCJZCXQBYAZ-INIZCTEOSA-N 0 0 454.514 4.531 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C2CCCCC2)c(=O)n1C ZINC001361272087 1066625463 /nfs/dbraw/zinc/62/54/63/1066625463.db2.gz BZIZRVCKFNELAF-UHFFFAOYSA-N 0 0 470.415 4.532 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Br)nnc2N(C)CCc2cnccn2)s1 ZINC001361272487 1066626896 /nfs/dbraw/zinc/62/68/96/1066626896.db2.gz NCFJYFZGBGUTST-UHFFFAOYSA-N 0 0 469.412 4.595 20 0 JJADRN C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001456566128 1066627075 /nfs/dbraw/zinc/62/70/75/1066627075.db2.gz FOKFEYUUEBLISC-QHCPKHFHSA-N 0 0 458.580 4.925 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)cn1 ZINC001361272514 1066627619 /nfs/dbraw/zinc/62/76/19/1066627619.db2.gz NWJQCODHDVLRHM-RUZDIDTESA-N 0 0 463.626 4.983 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)CC[C@H]2C)c(=O)n1C ZINC001361272803 1066627630 /nfs/dbraw/zinc/62/76/30/1066627630.db2.gz QQRBLTCITPDCIH-GDBMZVCRSA-N 0 0 488.405 4.527 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001445860603 1066627815 /nfs/dbraw/zinc/62/78/15/1066627815.db2.gz BTYOEOWMBYTRBE-DVECYGJZSA-N 0 0 454.530 4.698 20 0 JJADRN CCCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001456566879 1066627835 /nfs/dbraw/zinc/62/78/35/1066627835.db2.gz UWIAZRSIMNLVLT-UZMIIQGXSA-N 0 0 452.639 4.915 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1 ZINC001445864462 1066627860 /nfs/dbraw/zinc/62/78/60/1066627860.db2.gz HNUOXRPCEFCQQF-LPHOPBHVSA-N 0 0 452.356 4.727 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001445860605 1066627873 /nfs/dbraw/zinc/62/78/73/1066627873.db2.gz BTYOEOWMBYTRBE-NTKDMRAZSA-N 0 0 454.530 4.698 20 0 JJADRN O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(I)c(Cl)cc1Cl ZINC001445862929 1066627920 /nfs/dbraw/zinc/62/79/20/1066627920.db2.gz RTCNXRPRQIHXKC-UHFFFAOYSA-N 0 0 459.074 4.635 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Br)nc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001361273076 1066628141 /nfs/dbraw/zinc/62/81/41/1066628141.db2.gz MEXLFRICHQYTGG-INIZCTEOSA-N 0 0 450.336 4.674 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001361272892 1066628154 /nfs/dbraw/zinc/62/81/54/1066628154.db2.gz KOHHFEZFJZSTFK-AKTZAPLRSA-N 0 0 454.489 4.989 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546083378 1066628337 /nfs/dbraw/zinc/62/83/37/1066628337.db2.gz MOMOKVBVLATHKK-VQIMIIECSA-N 0 0 491.352 4.680 20 0 JJADRN COc1ccc(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(OC2CCCC2)c1 ZINC001445871651 1066629600 /nfs/dbraw/zinc/62/96/00/1066629600.db2.gz SSJUEPPCTTWCKL-QGZVFWFLSA-N 0 0 451.485 4.616 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC001361273321 1066629585 /nfs/dbraw/zinc/62/95/85/1066629585.db2.gz XYWUMSGYKPDMID-LBPRGKRZSA-N 0 0 473.451 4.539 20 0 JJADRN CCCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001456577004 1066629619 /nfs/dbraw/zinc/62/96/19/1066629619.db2.gz KBVOCTQSFCFEMT-WOJBJXKFSA-N 0 0 458.672 4.967 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)s2)cc(S(=O)(=O)N(C)C)c1C ZINC001456573472 1066629718 /nfs/dbraw/zinc/62/97/18/1066629718.db2.gz ZTZXLCRELCNMBI-NRFANRHFSA-N 0 0 455.045 4.506 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(O)c1 ZINC001445874008 1066629723 /nfs/dbraw/zinc/62/97/23/1066629723.db2.gz CSVODDNZALYPJE-KRWDZBQOSA-N 0 0 450.438 4.569 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC=C(C(F)(F)F)CC2)c(=O)n1C ZINC001361273740 1066630203 /nfs/dbraw/zinc/63/02/03/1066630203.db2.gz YVGLJELCBOUTFB-UHFFFAOYSA-N 0 0 485.554 4.997 20 0 JJADRN O=C(Nc1cccc(CSC2CCCC2)c1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001456579292 1066630272 /nfs/dbraw/zinc/63/02/72/1066630272.db2.gz BCPKTJRKBYMAOB-QHCPKHFHSA-N 0 0 454.592 4.839 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n1 ZINC001361274015 1066630273 /nfs/dbraw/zinc/63/02/73/1066630273.db2.gz ZVYZJXIHUQBFJG-DNVCBOLYSA-N 0 0 481.858 4.700 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456577460 1066630384 /nfs/dbraw/zinc/63/03/84/1066630384.db2.gz LRHDNCLREQIDNO-QHCPKHFHSA-N 0 0 451.611 4.739 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361274299 1066630792 /nfs/dbraw/zinc/63/07/92/1066630792.db2.gz CORATLZITGCUMR-NRFANRHFSA-N 0 0 476.625 4.698 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccc(F)cc1F ZINC001456580655 1066630801 /nfs/dbraw/zinc/63/08/01/1066630801.db2.gz AVSVWBCDPJHCKB-QFIPXVFZSA-N 0 0 450.551 4.799 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001456581871 1066631680 /nfs/dbraw/zinc/63/16/80/1066631680.db2.gz DGIHYOBHXJKACH-MWTRTKDXSA-N 0 0 458.530 4.885 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001456581883 1066631746 /nfs/dbraw/zinc/63/17/46/1066631746.db2.gz DGIHYOBHXJKACH-WAIKUNEKSA-N 0 0 458.530 4.885 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC001361275334 1066632248 /nfs/dbraw/zinc/63/22/48/1066632248.db2.gz PRPIREJCABETGX-UHFFFAOYSA-N 0 0 494.615 4.919 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N[C@H](COCc2ccccc2)c2ccccc2)C1 ZINC001456582392 1066632380 /nfs/dbraw/zinc/63/23/80/1066632380.db2.gz GESCICWEENIRBZ-KAYWLYCHSA-N 0 0 456.586 4.542 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC[C@H](Nc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001445902633 1066632552 /nfs/dbraw/zinc/63/25/52/1066632552.db2.gz QDKZYXYUECILHA-SKPFHBQLSA-N 0 0 457.977 4.880 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC001445908176 1066632934 /nfs/dbraw/zinc/63/29/34/1066632934.db2.gz HOSKMMRJUDRUDY-UHFFFAOYSA-N 0 0 458.527 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC001445905788 1066632997 /nfs/dbraw/zinc/63/29/97/1066632997.db2.gz FWYLBLUDUSZOHD-LJQANCHMSA-N 0 0 459.974 4.917 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@H](OCC2CCCC2)c2ccccc2)cc1 ZINC001456585880 1066633119 /nfs/dbraw/zinc/63/31/19/1066633119.db2.gz HAAXNCCTAVQIGX-AREMUKBSSA-N 0 0 457.574 4.923 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC2CC(F)C2)c(OCC(F)(F)F)c1 ZINC001361275904 1066633487 /nfs/dbraw/zinc/63/34/87/1066633487.db2.gz ZCJBNFRAUSAJIX-UHFFFAOYSA-N 0 0 463.479 4.822 20 0 JJADRN O=C(CCCN1C(=O)CCC1=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc32)cc1 ZINC001361276109 1066633511 /nfs/dbraw/zinc/63/35/11/1066633511.db2.gz UIJCDTIXIHJHCZ-UHFFFAOYSA-N 0 0 454.935 4.874 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(c2ccccc2O)CC1 ZINC001445912483 1066633794 /nfs/dbraw/zinc/63/37/94/1066633794.db2.gz QCAUGYZIKKNTNU-UHFFFAOYSA-N 0 0 455.967 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCCSc1ccccc1Br ZINC001456588363 1066634408 /nfs/dbraw/zinc/63/44/08/1066634408.db2.gz DVQVSAUPCCHGPA-INIZCTEOSA-N 0 0 457.434 4.837 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2ccc(F)cc2OCC2CC2)=NN1c1ccccc1 ZINC001456590749 1066635045 /nfs/dbraw/zinc/63/50/45/1066635045.db2.gz PEOYNNCIIIYTLG-OAQYLSRUSA-N 0 0 453.514 4.530 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1 ZINC001361277760 1066635422 /nfs/dbraw/zinc/63/54/22/1066635422.db2.gz DEUXOXYTECIZLY-NRFANRHFSA-N 0 0 476.625 4.759 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC001456591413 1066635551 /nfs/dbraw/zinc/63/55/51/1066635551.db2.gz SZFVUZXTCIIKGU-DQEYMECFSA-N 0 0 452.501 4.606 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001545979802 1066636273 /nfs/dbraw/zinc/63/62/73/1066636273.db2.gz IPIHEPPPHGHKSV-WZONZLPQSA-N 0 0 493.530 4.555 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C(F)(F)c3c(F)cccc3F)cc2)c1 ZINC001456594656 1066636647 /nfs/dbraw/zinc/63/66/47/1066636647.db2.gz ARDQEHAOMSDLNQ-UHFFFAOYSA-N 0 0 453.413 4.891 20 0 JJADRN CCCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456594513 1066636671 /nfs/dbraw/zinc/63/66/71/1066636671.db2.gz OJZUELIWAIHIIS-SANMLTNESA-N 0 0 459.521 4.512 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@H](C)Cc3ccc(OCc4ccc(C)cc4)cc3)nn2)c1 ZINC001361279474 1066636765 /nfs/dbraw/zinc/63/67/65/1066636765.db2.gz GJIQJXLXWZJKGF-HXUWFJFHSA-N 0 0 456.546 4.524 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC001456596959 1066637342 /nfs/dbraw/zinc/63/73/42/1066637342.db2.gz VLBSUWPNKIQCGM-OAQYLSRUSA-N 0 0 453.608 4.713 20 0 JJADRN CCC[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)N1CCc2sccc2C1 ZINC001361280084 1066637512 /nfs/dbraw/zinc/63/75/12/1066637512.db2.gz VGSHYCXYFVQJNO-OAQYLSRUSA-N 0 0 453.995 4.947 20 0 JJADRN CC[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545979909 1066637479 /nfs/dbraw/zinc/63/74/79/1066637479.db2.gz KRBNGHZLLSYXNB-KRWDZBQOSA-N 0 0 495.628 4.524 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1c(F)cccc1F ZINC001456598813 1066637994 /nfs/dbraw/zinc/63/79/94/1066637994.db2.gz XSGVEYDHVSBDEM-ZEQRLZLVSA-N 0 0 452.501 4.606 20 0 JJADRN O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001456598522 1066638021 /nfs/dbraw/zinc/63/80/21/1066638021.db2.gz VXNCTFOHMCHCIX-QGZVFWFLSA-N 0 0 456.384 4.821 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC001456599536 1066638026 /nfs/dbraw/zinc/63/80/26/1066638026.db2.gz YZJROHNTFXSPJX-UHFFFAOYSA-N 0 0 451.596 4.696 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)cc1S(=O)(=O)NC1CC1 ZINC001456599270 1066638052 /nfs/dbraw/zinc/63/80/52/1066638052.db2.gz MKTZDLXRNCLKRM-UHFFFAOYSA-N 0 0 457.939 4.529 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)cc2F)c1 ZINC001456599139 1066638064 /nfs/dbraw/zinc/63/80/64/1066638064.db2.gz PWYXTWWTXLWIDS-IFMALSPDSA-N 0 0 478.568 4.984 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)c(OCC(F)(F)F)c1 ZINC001361280548 1066638045 /nfs/dbraw/zinc/63/80/45/1066638045.db2.gz ISCMJSYQJAYNFC-OAQYLSRUSA-N 0 0 496.574 4.806 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001445942761 1066638066 /nfs/dbraw/zinc/63/80/66/1066638066.db2.gz XYKXGYXGBDTZAS-DQEYMECFSA-N 0 0 450.485 4.529 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)c1 ZINC001445941345 1066638072 /nfs/dbraw/zinc/63/80/72/1066638072.db2.gz WBOHYPGVKNBLIC-ZPMCFJSWSA-N 0 0 454.521 4.578 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCCCO)C2CC2)s1 ZINC001361280865 1066638119 /nfs/dbraw/zinc/63/81/19/1066638119.db2.gz QNWJUPIZVDHVPQ-IBGZPJMESA-N 0 0 489.686 4.552 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)Oc1ccccc1F ZINC001545979975 1066638206 /nfs/dbraw/zinc/63/82/06/1066638206.db2.gz LTDVNXSRICYTKZ-BOCKYXSRSA-N 0 0 453.562 4.506 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1)Oc1ccccc1F ZINC001545979977 1066638209 /nfs/dbraw/zinc/63/82/09/1066638209.db2.gz LTDVNXSRICYTKZ-GWJPWWOOSA-N 0 0 453.562 4.506 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)CC1=O ZINC001456601112 1066638702 /nfs/dbraw/zinc/63/87/02/1066638702.db2.gz UGVGRJCNEPNOSG-ASHZAFPQSA-N 0 0 456.627 4.914 20 0 JJADRN CC[C@@H](CNC(=O)C1(NC(=O)OCc2ccccc2)CC1)Cc1cccc(Br)c1 ZINC001456603760 1066640077 /nfs/dbraw/zinc/64/00/77/1066640077.db2.gz NNVQGDWGSLFZKU-QGZVFWFLSA-N 0 0 459.384 4.593 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)c(OCC2CC2)c1 ZINC001361282649 1066640824 /nfs/dbraw/zinc/64/08/24/1066640824.db2.gz VCGBUWDLWGRFHX-IBGZPJMESA-N 0 0 452.521 4.706 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccc(Cl)cc2Br)cc1 ZINC001456605189 1066640829 /nfs/dbraw/zinc/64/08/29/1066640829.db2.gz XMXVFMWABUNHJZ-UHFFFAOYSA-N 0 0 458.743 4.704 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001361282749 1066640987 /nfs/dbraw/zinc/64/09/87/1066640987.db2.gz WKCRDJMJTKOOJW-PKOBYXMFSA-N 0 0 489.686 4.815 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445971725 1066641156 /nfs/dbraw/zinc/64/11/56/1066641156.db2.gz QCJAIIWYANMLIF-INIZCTEOSA-N 0 0 458.967 4.516 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)c21 ZINC001456607118 1066641374 /nfs/dbraw/zinc/64/13/74/1066641374.db2.gz SXECZFUXJYFHCB-UHFFFAOYSA-N 0 0 455.558 4.697 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)Cc1cccc(Br)c1 ZINC001456607563 1066641382 /nfs/dbraw/zinc/64/13/82/1066641382.db2.gz RVMGLBRCCXANKG-FDDCHVKYSA-N 0 0 457.412 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC001445982029 1066641773 /nfs/dbraw/zinc/64/17/73/1066641773.db2.gz MVBBWUIPBDAPHS-IBGZPJMESA-N 0 0 454.914 4.536 20 0 JJADRN CCC(CC)(CC)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O ZINC001445993423 1066642541 /nfs/dbraw/zinc/64/25/41/1066642541.db2.gz AEFNSKVGTQICAV-KOSHJBKYSA-N 0 0 452.595 4.607 20 0 JJADRN O=C(CCc1ccc(Cl)s1)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445994028 1066642565 /nfs/dbraw/zinc/64/25/65/1066642565.db2.gz GXLNYJAFNVKUQA-UHFFFAOYSA-N 0 0 452.960 4.590 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC001456610309 1066642867 /nfs/dbraw/zinc/64/28/67/1066642867.db2.gz XDIJDPSQRFOGDJ-UHFFFAOYSA-N 0 0 450.626 4.697 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(Br)c1 ZINC001456611735 1066642925 /nfs/dbraw/zinc/64/29/25/1066642925.db2.gz WXXKXYUSTHSALN-CABCVRRESA-N 0 0 457.384 4.845 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)ccc2C)cc1 ZINC001445998834 1066643157 /nfs/dbraw/zinc/64/31/57/1066643157.db2.gz IDAVDUBTOBUWCM-IBGZPJMESA-N 0 0 452.576 4.513 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(Br)cs3)cc2)c1 ZINC001456612968 1066643783 /nfs/dbraw/zinc/64/37/83/1066643783.db2.gz XDVHJAVYOVGFLS-UHFFFAOYSA-N 0 0 452.351 4.959 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCc2nccs2)c(O[C@H]2CCOC2)c1 ZINC001361285089 1066643865 /nfs/dbraw/zinc/64/38/65/1066643865.db2.gz PTCZOKUHAYQQHY-FQEVSTJZSA-N 0 0 469.655 4.527 20 0 JJADRN COc1ccc2[nH]c(C)c(C(=O)NC3CCN(Cc4ccc(Br)cc4)CC3)c2c1 ZINC001446000211 1066643991 /nfs/dbraw/zinc/64/39/91/1066643991.db2.gz LCXWOOIUXPDRMK-UHFFFAOYSA-N 0 0 456.384 4.642 20 0 JJADRN CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)c2O1 ZINC001456614565 1066644343 /nfs/dbraw/zinc/64/43/43/1066644343.db2.gz VEGMQXHQADAMBE-LJQANCHMSA-N 0 0 456.340 4.541 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC001361286094 1066644308 /nfs/dbraw/zinc/64/43/08/1066644308.db2.gz LYVGPHGMIFNOBI-UHFFFAOYSA-N 0 0 458.031 4.511 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)c(O[C@H]2CCOC2)c1 ZINC001361285484 1066644439 /nfs/dbraw/zinc/64/44/39/1066644439.db2.gz AKPCZSFDVNURCT-GOTSBHOMSA-N 0 0 470.658 4.785 20 0 JJADRN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC001446011615 1066644832 /nfs/dbraw/zinc/64/48/32/1066644832.db2.gz XZVUXIWAENNJJK-OHUGHZGNSA-N 0 0 454.636 4.947 20 0 JJADRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC001446011149 1066644904 /nfs/dbraw/zinc/64/49/04/1066644904.db2.gz XZVUXIWAENNJJK-DFIYOIEZSA-N 0 0 454.636 4.947 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)s1 ZINC001361286539 1066644995 /nfs/dbraw/zinc/64/49/95/1066644995.db2.gz SUMHCHZQSZFWFY-UHFFFAOYSA-N 0 0 452.550 4.952 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)c(OCC(F)(F)F)c1 ZINC001361286324 1066645045 /nfs/dbraw/zinc/64/50/45/1066645045.db2.gz OZVMKDUUPHMYPL-UYAOXDASSA-N 0 0 466.548 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)C(C)(C)C3CCC(O)CC3)CC2)CC1 ZINC001456615711 1066645114 /nfs/dbraw/zinc/64/51/14/1066645114.db2.gz DPLYZIBJLKTHGK-KPQWGBOZSA-N 0 0 450.664 4.840 20 0 JJADRN Cc1c(C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)ccn1Cc1ccccc1 ZINC001456617100 1066645616 /nfs/dbraw/zinc/64/56/16/1066645616.db2.gz NHUOYDRWTTZLIK-XMMPIXPASA-N 0 0 453.380 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)CC1 ZINC001456616521 1066645653 /nfs/dbraw/zinc/64/56/53/1066645653.db2.gz FTMTUYXHDMHXEW-GOSISDBHSA-N 0 0 453.583 4.830 20 0 JJADRN CC[C@H](OC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(C)(C)c1ccccc1 ZINC001456617682 1066645664 /nfs/dbraw/zinc/64/56/64/1066645664.db2.gz SAIWOILUWCYWQA-DEOSSOPVSA-N 0 0 453.579 4.856 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC001361286662 1066645661 /nfs/dbraw/zinc/64/56/61/1066645661.db2.gz SPUPSNKVAAKQLX-QGZVFWFLSA-N 0 0 454.942 4.612 20 0 JJADRN C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001446013959 1066645873 /nfs/dbraw/zinc/64/58/73/1066645873.db2.gz MRUFPPWDHDVQNF-DYVFJYSZSA-N 0 0 452.338 4.561 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OCC2CC2)c1 ZINC001361286896 1066645776 /nfs/dbraw/zinc/64/57/76/1066645776.db2.gz YFEONMOLWWANBP-QFIPXVFZSA-N 0 0 483.657 4.726 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3cccs3)oc21 ZINC001446015747 1066645914 /nfs/dbraw/zinc/64/59/14/1066645914.db2.gz OZQKYYGBGSAMKG-JKSUJKDBSA-N 0 0 450.354 4.530 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)Cc1ccc(Cl)cc1 ZINC001361288253 1066646426 /nfs/dbraw/zinc/64/64/26/1066646426.db2.gz DUHFSHVBXJCIDP-DNVCBOLYSA-N 0 0 452.904 4.845 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001456619016 1066646414 /nfs/dbraw/zinc/64/64/14/1066646414.db2.gz LGIMXGLCDRCIBA-CEWLAPEOSA-N 0 0 464.647 4.630 20 0 JJADRN O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361288901 1066646961 /nfs/dbraw/zinc/64/69/61/1066646961.db2.gz VHJKTFGEBFTFJZ-HNNXBMFYSA-N 0 0 459.295 4.862 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456619865 1066647161 /nfs/dbraw/zinc/64/71/61/1066647161.db2.gz TZSZDEJQLBXTMA-ZDUSSCGKSA-N 0 0 456.494 4.924 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456622186 1066648476 /nfs/dbraw/zinc/64/84/76/1066648476.db2.gz COJDJILAKIJYFD-IUODEOHRSA-N 0 0 455.502 4.814 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492598829 1066648658 /nfs/dbraw/zinc/64/86/58/1066648658.db2.gz PZQKFCOFXQLQOM-IFMALSPDSA-N 0 0 454.640 4.958 20 0 JJADRN O=C(NC[C@H](CO)c1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001446030670 1066648666 /nfs/dbraw/zinc/64/86/66/1066648666.db2.gz HQPHKBRFRHMVNT-QGZVFWFLSA-N 0 0 458.389 4.954 20 0 JJADRN O=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001446033764 1066648764 /nfs/dbraw/zinc/64/87/64/1066648764.db2.gz NPDMVZFPPFOTBD-NRFANRHFSA-N 0 0 459.514 4.530 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2ccc3c(cnn3C(C)C)c2)nn1-c1ccccc1C(F)(F)F ZINC001456624582 1066649001 /nfs/dbraw/zinc/64/90/01/1066649001.db2.gz GRKNUZTZKFSDNF-UHFFFAOYSA-N 0 0 455.440 4.743 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1 ZINC001492598874 1066649173 /nfs/dbraw/zinc/64/91/73/1066649173.db2.gz QMOJVCPCNZTXMY-UHFFFAOYSA-N 0 0 462.598 4.719 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)CC1=O ZINC001446036468 1066649323 /nfs/dbraw/zinc/64/93/23/1066649323.db2.gz UCBRVVKRECHNRZ-RCZVLFRGSA-N 0 0 458.558 4.661 20 0 JJADRN C[C@@H]1CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456626505 1066649602 /nfs/dbraw/zinc/64/96/02/1066649602.db2.gz ATOVOLBXTSWCOX-NRSPTQNISA-N 0 0 475.630 4.652 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1 ZINC001446040059 1066650611 /nfs/dbraw/zinc/65/06/11/1066650611.db2.gz WOANIUBPXGXJRY-SFHVURJKSA-N 0 0 457.611 4.585 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC2(OC)CCC2)CCO1 ZINC001546083767 1066650767 /nfs/dbraw/zinc/65/07/67/1066650767.db2.gz SOOQPHNVPUZORJ-BWKNWUBXSA-N 0 0 456.631 4.999 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N(C)C ZINC001492599169 1066651132 /nfs/dbraw/zinc/65/11/32/1066651132.db2.gz UTAQEHSFSZNYJX-IBGZPJMESA-N 0 0 495.693 4.823 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C(C)(C)C)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492599728 1066651172 /nfs/dbraw/zinc/65/11/72/1066651172.db2.gz CIDYAOKMEQCUFM-UHFFFAOYSA-N 0 0 467.580 4.674 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCc2csc(C)n2)CCO1 ZINC001546083824 1066651583 /nfs/dbraw/zinc/65/15/83/1066651583.db2.gz TWGJQCZJNIDURU-OAQYLSRUSA-N 0 0 476.444 4.721 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCCCO1 ZINC001492599923 1066651959 /nfs/dbraw/zinc/65/19/59/1066651959.db2.gz FQWFVFPWECVIQK-HXUWFJFHSA-N 0 0 455.990 4.776 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001492599994 1066651971 /nfs/dbraw/zinc/65/19/71/1066651971.db2.gz FKHATYQCZPSBGN-UHFFFAOYSA-N 0 0 492.624 4.611 20 0 JJADRN COc1ncc(/C=C/C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)cn1 ZINC001456632569 1066652189 /nfs/dbraw/zinc/65/21/89/1066652189.db2.gz KLDRXAZMQVJUKU-OXFRDRNISA-N 0 0 459.369 4.570 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1(C)C ZINC001492600062 1066652482 /nfs/dbraw/zinc/65/24/82/1066652482.db2.gz HLLISEFQCZBSIA-RLWLMLJZSA-N 0 0 488.698 4.674 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC001446053321 1066652718 /nfs/dbraw/zinc/65/27/18/1066652718.db2.gz YBNGTARMORMYEY-JPYJTQIMSA-N 0 0 454.530 4.648 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)c1nc(C)c(C(=O)OCC)s1 ZINC001456633903 1066652774 /nfs/dbraw/zinc/65/27/74/1066652774.db2.gz ANCNDHBHZMFINF-JXFKEZNVSA-N 0 0 457.596 4.960 20 0 JJADRN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 ZINC001456634061 1066652815 /nfs/dbraw/zinc/65/28/15/1066652815.db2.gz NGKRQIDRHNZPEH-INIZCTEOSA-N 0 0 458.967 4.680 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)c1 ZINC001456632806 1066652848 /nfs/dbraw/zinc/65/28/48/1066652848.db2.gz DEALHLMUWAEPKG-UHFFFAOYSA-N 0 0 451.976 4.851 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC2CC(F)(F)C2)CCO1 ZINC001546083913 1066652859 /nfs/dbraw/zinc/65/28/59/1066652859.db2.gz VFGVOJMHAUEDHK-IBGZPJMESA-N 0 0 455.347 4.758 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001456635662 1066652870 /nfs/dbraw/zinc/65/28/70/1066652870.db2.gz PBKJAQZSTORFET-QKSZAEPWSA-N 0 0 472.416 4.640 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC2CC(F)(F)C2)CCO1 ZINC001546083914 1066652911 /nfs/dbraw/zinc/65/29/11/1066652911.db2.gz VFGVOJMHAUEDHK-LJQANCHMSA-N 0 0 455.347 4.758 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2F)CCO1 ZINC001546083941 1066653469 /nfs/dbraw/zinc/65/34/69/1066653469.db2.gz VTJGPUFGJYUZTE-JOCHJYFZSA-N 0 0 476.394 4.547 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@@H]1CCCc2cccnc21 ZINC001456636567 1066653527 /nfs/dbraw/zinc/65/35/27/1066653527.db2.gz LPCRINTWPGBGGG-GOSISDBHSA-N 0 0 456.612 4.768 20 0 JJADRN Cc1ccsc1Cn1c(N(C)CCOc2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492600632 1066653813 /nfs/dbraw/zinc/65/38/13/1066653813.db2.gz QEZZAIBPHHPFGS-VWLOTQADSA-N 0 0 470.639 4.561 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001446063198 1066653975 /nfs/dbraw/zinc/65/39/75/1066653975.db2.gz GGUWCOVFKIDQPF-QZTJIDSGSA-N 0 0 458.578 4.729 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCc3ccnc(O[C@@H](C)CC(C)C)c3)cs2)cc1OC ZINC001456638591 1066654204 /nfs/dbraw/zinc/65/42/04/1066654204.db2.gz FDVYWAJORGZCQZ-INIZCTEOSA-N 0 0 455.580 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CCO)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446069272 1066654677 /nfs/dbraw/zinc/65/46/77/1066654677.db2.gz CKLUMOUOXZTZKP-QYZOEREBSA-N 0 0 465.015 4.592 20 0 JJADRN CS[C@H](CO)[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001446070684 1066654690 /nfs/dbraw/zinc/65/46/90/1066654690.db2.gz CQHZGMWQWPXWPE-GAJHUEQPSA-N 0 0 450.560 4.573 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001546084029 1066654699 /nfs/dbraw/zinc/65/46/99/1066654699.db2.gz WXQYGCBCSUUPNN-AJTFRIOCSA-N 0 0 497.684 4.689 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cccn2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492600981 1066655055 /nfs/dbraw/zinc/65/50/55/1066655055.db2.gz WPJQCVSERDKOCA-UHFFFAOYSA-N 0 0 487.652 4.828 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)ccc1OCCO ZINC001446076419 1066655422 /nfs/dbraw/zinc/65/54/22/1066655422.db2.gz VYZQVAPYJLXIJW-BXKMTCNYSA-N 0 0 455.551 4.916 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001446071928 1066655492 /nfs/dbraw/zinc/65/54/92/1066655492.db2.gz QMAGHQISIDSRJQ-BLKABHOGSA-N 0 0 450.048 4.803 20 0 JJADRN Cc1ccccc1OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(F)F ZINC001492601468 1066655841 /nfs/dbraw/zinc/65/58/41/1066655841.db2.gz CAXYDUWPAOVOCZ-UHFFFAOYSA-N 0 0 493.599 4.871 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CC[C@H]1c1ccc(C)o1 ZINC001456644306 1066656050 /nfs/dbraw/zinc/65/60/50/1066656050.db2.gz LNOLJYRBLTXRHT-GIVPXCGWSA-N 0 0 457.571 4.775 20 0 JJADRN O=C(C=CC(=O)NC(CCc1ccccc1)CCc1ccccc1)Nc1ccc2n[nH]cc2c1 ZINC001446078324 1066656052 /nfs/dbraw/zinc/65/60/52/1066656052.db2.gz VJLNBRUUERUVQQ-ZCXUNETKSA-N 0 0 452.558 4.808 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)N(CC(C)C)CC(C)(C)C)cc1OC ZINC001446076910 1066656142 /nfs/dbraw/zinc/65/61/42/1066656142.db2.gz ZKQJSBBAFJUJAB-UHFFFAOYSA-N 0 0 456.583 4.866 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)nnc1-c1ccccc1 ZINC001456644343 1066656175 /nfs/dbraw/zinc/65/61/75/1066656175.db2.gz BUIHFBWQCYYRAN-DYESRHJHSA-N 0 0 452.580 4.815 20 0 JJADRN COc1cc([C@H](C)NC(=O)COc2ccc(-c3ccccc3)cc2Cl)ccc1OCCO ZINC001446080811 1066656798 /nfs/dbraw/zinc/65/67/98/1066656798.db2.gz ZEQVKMMGKDKDLG-KRWDZBQOSA-N 0 0 455.938 4.643 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3C)nc2)c1 ZINC001456644575 1066656887 /nfs/dbraw/zinc/65/68/87/1066656887.db2.gz FDARTZCVQVAHGI-UHFFFAOYSA-N 0 0 453.564 4.820 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001492601960 1066657050 /nfs/dbraw/zinc/65/70/50/1066657050.db2.gz LUIMDROTEYAIRD-OZXSUGGESA-N 0 0 463.626 4.539 20 0 JJADRN Cc1ccccc1OCCn1c(C2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492602014 1066657094 /nfs/dbraw/zinc/65/70/94/1066657094.db2.gz JMGTUTSJAUVRMM-LJQANCHMSA-N 0 0 452.521 4.871 20 0 JJADRN Cc1ccccc1OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492601825 1066657132 /nfs/dbraw/zinc/65/71/32/1066657132.db2.gz HLZMZWKMJQRBRU-UHFFFAOYSA-N 0 0 493.917 4.729 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C ZINC001456645975 1066657493 /nfs/dbraw/zinc/65/74/93/1066657493.db2.gz GPCKFRQTTWODRK-UHFFFAOYSA-N 0 0 456.564 4.510 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492602138 1066657591 /nfs/dbraw/zinc/65/75/91/1066657591.db2.gz NURLUCNHQZWVJE-UHFFFAOYSA-N 0 0 496.537 4.744 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H]1C ZINC001492602117 1066657615 /nfs/dbraw/zinc/65/76/15/1066657615.db2.gz NKXVXZIJKGCLBI-BHDDXSALSA-N 0 0 483.657 4.872 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccsc2)n1CC1(O)CCCCCC1 ZINC001492602275 1066657631 /nfs/dbraw/zinc/65/76/31/1066657631.db2.gz PDMNWWADXXDRKD-UHFFFAOYSA-N 0 0 454.640 4.839 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492602101 1066657685 /nfs/dbraw/zinc/65/76/85/1066657685.db2.gz MZJXXGIIOKWXHT-OOMBGRCJSA-N 0 0 470.658 4.980 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC001446090929 1066658129 /nfs/dbraw/zinc/65/81/29/1066658129.db2.gz GZFBNCYDQAHXID-UHFFFAOYSA-N 0 0 454.983 4.531 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)Cn2c(C)c(Br)c3ccccc32)n1 ZINC001446089460 1066658317 /nfs/dbraw/zinc/65/83/17/1066658317.db2.gz ZLBIEMGPRMNSLW-ZDUSSCGKSA-N 0 0 451.390 4.568 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492602483 1066658361 /nfs/dbraw/zinc/65/83/61/1066658361.db2.gz RZRLUTXGEFLACG-OALUTQOASA-N 0 0 479.547 4.518 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001446093073 1066658895 /nfs/dbraw/zinc/65/88/95/1066658895.db2.gz JWOIJPRYWRLDPF-CQSZACIVSA-N 0 0 459.490 4.697 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001492602768 1066658982 /nfs/dbraw/zinc/65/89/82/1066658982.db2.gz UDDOARYMSVHCPQ-IRLDBZIGSA-N 0 0 499.656 4.600 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492602616 1066659015 /nfs/dbraw/zinc/65/90/15/1066659015.db2.gz RDLRWDYMGPBXOF-OAHLLOKOSA-N 0 0 480.357 4.905 20 0 JJADRN Cc1ccccc1OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C ZINC001492602855 1066659692 /nfs/dbraw/zinc/65/96/92/1066659692.db2.gz VHFIKQYNXNFMFP-FQEVSTJZSA-N 0 0 469.630 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)C[C@@H]2C1 ZINC001456654421 1066659958 /nfs/dbraw/zinc/65/99/58/1066659958.db2.gz JAWOOLFJKNONKL-CABCVRRESA-N 0 0 456.480 4.592 20 0 JJADRN C[C@@](O)(C(=O)Nc1nc(-c2c(F)cccc2F)cs1)c1ccc(F)c(Br)c1 ZINC001446101659 1066660125 /nfs/dbraw/zinc/66/01/25/1066660125.db2.gz SBFQCZJHCVFBJU-SFHVURJKSA-N 0 0 457.271 4.836 20 0 JJADRN Cc1cccnc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492603443 1066660073 /nfs/dbraw/zinc/66/00/73/1066660073.db2.gz NLVGEIXDLYEAGT-KRWDZBQOSA-N 0 0 494.949 4.508 20 0 JJADRN Cc1cccnc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492603560 1066660168 /nfs/dbraw/zinc/66/01/68/1066660168.db2.gz QOVJCWKWEMHTCQ-QZTJIDSGSA-N 0 0 493.505 4.857 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001492603988 1066660210 /nfs/dbraw/zinc/66/02/10/1066660210.db2.gz CNHXBKSGKJPNBD-HDICACEKSA-N 0 0 479.572 4.528 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001456657309 1066660758 /nfs/dbraw/zinc/66/07/58/1066660758.db2.gz QNJAVBQMWVUPLT-JZWVFAODSA-N 0 0 450.645 4.952 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001456657311 1066660778 /nfs/dbraw/zinc/66/07/78/1066660778.db2.gz QNJAVBQMWVUPLT-ZEYPLWLESA-N 0 0 450.645 4.952 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)CSc1nnnn1C1CCCC1 ZINC001456657401 1066660803 /nfs/dbraw/zinc/66/08/03/1066660803.db2.gz DUZSSXAZVMKANO-INIZCTEOSA-N 0 0 456.641 4.840 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001456656194 1066660821 /nfs/dbraw/zinc/66/08/21/1066660821.db2.gz CIANHYPIHTYHAW-XLIONFOSSA-N 0 0 454.617 4.908 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CCOCC1 ZINC001446105552 1066660799 /nfs/dbraw/zinc/66/07/99/1066660799.db2.gz XWHXQJNSMBVBFG-UHFFFAOYSA-N 0 0 456.486 4.906 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@]3(NC(=O)OC(C)(C)C)C[C@@H](OCC)C3(C)C)cc21 ZINC001446106186 1066660908 /nfs/dbraw/zinc/66/09/08/1066660908.db2.gz GFXIRUYMXPBNFN-QFQXNSOFSA-N 0 0 459.631 4.886 20 0 JJADRN Cc1ccccc1OCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492604239 1066660898 /nfs/dbraw/zinc/66/08/98/1066660898.db2.gz KTYFCLGROLABFK-FCHUYYIVSA-N 0 0 497.684 4.994 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)n2)cc1Cl ZINC001446104423 1066660927 /nfs/dbraw/zinc/66/09/27/1066660927.db2.gz ZJOWDQJZDBJIKD-GFCCVEGCSA-N 0 0 451.976 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC001456659256 1066661142 /nfs/dbraw/zinc/66/11/42/1066661142.db2.gz YXACTEBWEPLJGL-MSOLQXFVSA-N 0 0 476.042 4.645 20 0 JJADRN Cc1ccc(NC(=O)c2cc(OCc3ccccc3)cs2)cc1S(=O)(=O)NC(C)(C)C ZINC001456659166 1066661152 /nfs/dbraw/zinc/66/11/52/1066661152.db2.gz CXAKWUWODCIITH-UHFFFAOYSA-N 0 0 458.605 4.965 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492605125 1066661332 /nfs/dbraw/zinc/66/13/32/1066661332.db2.gz QQDAKSMDZVITDS-UHFFFAOYSA-N 0 0 488.405 4.992 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Oc3ccccc3F)nc2)cc1S(=O)(=O)NC(C)(C)C ZINC001456660508 1066661928 /nfs/dbraw/zinc/66/19/28/1066661928.db2.gz FZMFRJKYLDVZOM-UHFFFAOYSA-N 0 0 457.527 4.651 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001446112394 1066662090 /nfs/dbraw/zinc/66/20/90/1066662090.db2.gz KWAGXWIBYQYABY-MJGOQNOKSA-N 0 0 456.587 4.550 20 0 JJADRN CC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C(C)(C)C1)OC ZINC001545980752 1066662195 /nfs/dbraw/zinc/66/21/95/1066662195.db2.gz ZVTCGRKDGXHMOY-RTBURBONSA-N 0 0 466.630 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)C[C@@H]2C1 ZINC001456662849 1066662433 /nfs/dbraw/zinc/66/24/33/1066662433.db2.gz ZYPOAEKJCWNNMW-OLZOCXBDSA-N 0 0 461.411 4.733 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2ncc(C)s2)CCO1 ZINC001546084188 1066662460 /nfs/dbraw/zinc/66/24/60/1066662460.db2.gz YZTWLJDOPWCAIF-SZNDQCEHSA-N 0 0 493.475 4.620 20 0 JJADRN Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)ccc1F ZINC001446117019 1066662498 /nfs/dbraw/zinc/66/24/98/1066662498.db2.gz UFOGXYJXTSHVDM-HNAYVOBHSA-N 0 0 454.502 4.627 20 0 JJADRN Cc1cccnc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(Br)C1 ZINC001492605345 1066662573 /nfs/dbraw/zinc/66/25/73/1066662573.db2.gz ZPVWSNNETCTDSV-UHFFFAOYSA-N 0 0 476.325 4.787 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2)CC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001456667860 1066663151 /nfs/dbraw/zinc/66/31/51/1066663151.db2.gz YZAOMYUJPVDRDC-MRXNPFEDSA-N 0 0 450.888 4.555 20 0 JJADRN Cc1cccnc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492605947 1066663251 /nfs/dbraw/zinc/66/32/51/1066663251.db2.gz QYGZUSXBRZPQOH-UHFFFAOYSA-N 0 0 498.672 4.538 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)ccc1Br ZINC001456666335 1066663166 /nfs/dbraw/zinc/66/31/66/1066663166.db2.gz PHKJSNXXLMQMNE-UHFFFAOYSA-N 0 0 453.402 4.649 20 0 JJADRN Cc1cc(-c2cc(C(=O)N3CCOC[C@@H]3C(F)(F)F)c3cnn(C(C)C)c3n2)c(C)s1 ZINC001456668754 1066663262 /nfs/dbraw/zinc/66/32/62/1066663262.db2.gz RMZDRWGCKSURHI-GOSISDBHSA-N 0 0 452.502 4.761 20 0 JJADRN Cc1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)nn1-c1nc(C)cc(C)n1 ZINC001456668260 1066663289 /nfs/dbraw/zinc/66/32/89/1066663289.db2.gz ZDXXQCNUIIKQSO-UHFFFAOYSA-N 0 0 458.469 4.982 20 0 JJADRN COCCOc1ccc(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)cc1Br ZINC001456668869 1066663820 /nfs/dbraw/zinc/66/38/20/1066663820.db2.gz IKCSBLLCHQEVQJ-UHFFFAOYSA-N 0 0 453.642 4.794 20 0 JJADRN CC(C)(C)C[C@@H](CO)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001545981439 1066663898 /nfs/dbraw/zinc/66/38/98/1066663898.db2.gz SCVNKPABNYAWSW-SFHVURJKSA-N 0 0 459.015 4.593 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCCCO)CCO1 ZINC001546084238 1066664399 /nfs/dbraw/zinc/66/43/99/1066664399.db2.gz ZWOBVSCIYCYJAG-YADARESESA-N 0 0 465.038 4.856 20 0 JJADRN Cc1cccnc1Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492606725 1066664483 /nfs/dbraw/zinc/66/44/83/1066664483.db2.gz PXHHYOSXYGYWJE-UHFFFAOYSA-N 0 0 468.646 4.504 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492606598 1066664489 /nfs/dbraw/zinc/66/44/89/1066664489.db2.gz LZJAKPZTBMWQLE-LJQANCHMSA-N 0 0 497.043 4.720 20 0 JJADRN Nc1c(I)cccc1C(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC001456676959 1066664947 /nfs/dbraw/zinc/66/49/47/1066664947.db2.gz RKIAJNPNJCSSBK-QUCCMNQESA-N 0 0 470.310 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)[C@@H]2C[C@@H]21 ZINC001456681379 1066665002 /nfs/dbraw/zinc/66/50/02/1066665002.db2.gz UXFNEKVRTQYMLI-CVEARBPZSA-N 0 0 454.379 4.951 20 0 JJADRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001446143938 1066665258 /nfs/dbraw/zinc/66/52/58/1066665258.db2.gz WBOUTMBTTKKDQG-UHFFFAOYSA-N 0 0 455.292 4.660 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)cc2)cn1 ZINC001446143999 1066665309 /nfs/dbraw/zinc/66/53/09/1066665309.db2.gz WQEXVAKODOBCIO-UHFFFAOYSA-N 0 0 455.292 4.870 20 0 JJADRN CCc1nc(C(=O)NC2(C(=O)OC(C)(C)C)CCCC2)nn1-c1c(Cl)cccc1Cl ZINC001456683320 1066665814 /nfs/dbraw/zinc/66/58/14/1066665814.db2.gz FTUIURLIGDUJFN-UHFFFAOYSA-N 0 0 453.370 4.521 20 0 JJADRN Cc1cccnc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C(C)C ZINC001492607157 1066665908 /nfs/dbraw/zinc/66/59/08/1066665908.db2.gz HEKAYBVPPUGRCA-BGYRXZFFSA-N 0 0 456.635 4.671 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C ZINC001492607111 1066665959 /nfs/dbraw/zinc/66/59/59/1066665959.db2.gz FPULMCQAORDGLL-IBGZPJMESA-N 0 0 483.642 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCc2ccccc2OCC2CC2)(c2ccccc2)C1 ZINC001456684913 1066665938 /nfs/dbraw/zinc/66/59/38/1066665938.db2.gz LUCXJRSKHMEXDP-HHHXNRCGSA-N 0 0 450.579 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001446152321 1066666501 /nfs/dbraw/zinc/66/65/01/1066666501.db2.gz KIEIFBIVEGJCJA-UHFFFAOYSA-N 0 0 454.542 4.945 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N3CCc4c(Cl)cc(Cl)cc4C3)o2)cc1 ZINC001446147378 1066666610 /nfs/dbraw/zinc/66/66/10/1066666610.db2.gz CWVNYOBLIBKYJP-UHFFFAOYSA-N 0 0 450.347 4.729 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001456686197 1066666482 /nfs/dbraw/zinc/66/64/82/1066666482.db2.gz CCDORLOYXBEMMW-LBPRGKRZSA-N 0 0 453.739 4.772 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccncc3Cl)CC2)c1 ZINC001492607636 1066667225 /nfs/dbraw/zinc/66/72/25/1066667225.db2.gz BWGHVMHUBHRDKG-UHFFFAOYSA-N 0 0 455.006 4.715 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1C ZINC001492607843 1066667807 /nfs/dbraw/zinc/66/78/07/1066667807.db2.gz GQTUSOQLXCKWLT-HXUWFJFHSA-N 0 0 482.629 4.559 20 0 JJADRN Cc1noc(C)c1[C@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001456690107 1066667984 /nfs/dbraw/zinc/66/79/84/1066667984.db2.gz SEMWXQPLTBIJLF-ZDUSSCGKSA-N 0 0 456.340 4.726 20 0 JJADRN O=C(c1cccc(OCC(F)(F)F)c1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001456692798 1066668093 /nfs/dbraw/zinc/66/80/93/1066668093.db2.gz FXQXXXCXWRMBLA-IBGZPJMESA-N 0 0 458.274 4.514 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001456691107 1066668154 /nfs/dbraw/zinc/66/81/54/1066668154.db2.gz KLNJMBWQCXIQTM-FQEVSTJZSA-N 0 0 450.336 4.735 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC(=O)c2ccco2)CC1 ZINC001446162870 1066668164 /nfs/dbraw/zinc/66/81/64/1066668164.db2.gz MODUJOPQVZJCAR-JMJGKCIBSA-N 0 0 452.595 4.547 20 0 JJADRN CC1=CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC2CCCCC2)C1 ZINC001492608466 1066668938 /nfs/dbraw/zinc/66/89/38/1066668938.db2.gz BDWUEZWYGNBWCE-UHFFFAOYSA-N 0 0 459.541 4.542 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CCCn1ccnn1 ZINC001492608355 1066668970 /nfs/dbraw/zinc/66/89/70/1066668970.db2.gz AJLPHZCNBGKERW-IBGZPJMESA-N 0 0 455.994 4.527 20 0 JJADRN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001492608249 1066669005 /nfs/dbraw/zinc/66/90/05/1066669005.db2.gz WCYKKFLYLZDBCL-UNMCSNQZSA-N 0 0 486.060 4.859 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(Cc4ccccc4F)n3CCC(C)(F)F)CC2)c1 ZINC001492607888 1066669072 /nfs/dbraw/zinc/66/90/72/1066669072.db2.gz IUUNFGLHWNEFLR-UHFFFAOYSA-N 0 0 459.516 4.805 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCNc2ncc(Cl)cc2Cl)C1 ZINC001492608893 1066669916 /nfs/dbraw/zinc/66/99/16/1066669916.db2.gz IYEGHGPCKGFCKJ-UHFFFAOYSA-N 0 0 464.788 4.964 20 0 JJADRN CN1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186410 1066670504 /nfs/dbraw/zinc/67/05/04/1066670504.db2.gz DZPOXOSIHUMSNS-NZQKXSOJSA-N 0 0 459.974 4.619 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC001456704829 1066670761 /nfs/dbraw/zinc/67/07/61/1066670761.db2.gz KNZNOHMWEIIMAA-UHFFFAOYSA-N 0 0 457.412 4.915 20 0 JJADRN CCC[C@@H]1CN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001446188049 1066671144 /nfs/dbraw/zinc/67/11/44/1066671144.db2.gz NFMMLWDXBWZVAD-WINIVTDRSA-N 0 0 450.579 4.721 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CC[C@@H](C)[C@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001446188189 1066671161 /nfs/dbraw/zinc/67/11/61/1066671161.db2.gz QXSALZQPIIZAOM-RTBURBONSA-N 0 0 450.608 4.848 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC001446189658 1066671798 /nfs/dbraw/zinc/67/17/98/1066671798.db2.gz YTMNBWVGKIQKBL-NRFANRHFSA-N 0 0 455.436 4.810 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001446190047 1066671824 /nfs/dbraw/zinc/67/18/24/1066671824.db2.gz ISZATCLLZSLRBQ-WIYYLYMNSA-N 0 0 458.331 4.727 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001456710516 1066672342 /nfs/dbraw/zinc/67/23/42/1066672342.db2.gz VJJPADURWLILOC-HNNXBMFYSA-N 0 0 456.306 4.732 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)c2ccsc2)C1 ZINC001492610260 1066672808 /nfs/dbraw/zinc/67/28/08/1066672808.db2.gz NHRGOMXPYNIRKK-NRFANRHFSA-N 0 0 459.413 4.833 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001456714925 1066673031 /nfs/dbraw/zinc/67/30/31/1066673031.db2.gz OOWVKXGKFWHPAX-UHFFFAOYSA-N 0 0 458.335 4.649 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[C@H]2CCCCO2)C1 ZINC001492611169 1066673326 /nfs/dbraw/zinc/67/33/26/1066673326.db2.gz TYBCTQNAFBQIFZ-FGZHOGPDSA-N 0 0 473.662 4.898 20 0 JJADRN CC1=CCCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCC(F)(F)F)C1 ZINC001492611222 1066673463 /nfs/dbraw/zinc/67/34/63/1066673463.db2.gz WANMABNMCMKLDX-UHFFFAOYSA-N 0 0 460.504 4.735 20 0 JJADRN CC(C)C[C@@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC001456719620 1066673849 /nfs/dbraw/zinc/67/38/49/1066673849.db2.gz NIOJXEMADQTWAW-HXUWFJFHSA-N 0 0 452.929 4.802 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001492612375 1066674225 /nfs/dbraw/zinc/67/42/25/1066674225.db2.gz DPJGIZYTZJXQQK-UHFFFAOYSA-N 0 0 451.493 4.882 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)c2ccccc2)C1 ZINC001492611616 1066674286 /nfs/dbraw/zinc/67/42/86/1066674286.db2.gz GZQQIHODQKDNND-UNMCSNQZSA-N 0 0 467.614 4.547 20 0 JJADRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC001446211963 1066674932 /nfs/dbraw/zinc/67/49/32/1066674932.db2.gz XJLWWUIPCVPZCU-UHFFFAOYSA-N 0 0 458.849 4.501 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1OC(C)(C)C)c1ccc(Br)cc1 ZINC001446196864 1066674964 /nfs/dbraw/zinc/67/49/64/1066674964.db2.gz RGXHQERPSPAZKI-SFHVURJKSA-N 0 0 451.336 4.972 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](OC)C1 ZINC001446202460 1066675012 /nfs/dbraw/zinc/67/50/12/1066675012.db2.gz ZUZQBIMXCZZHDQ-CEYNDMKZSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446209182 1066675037 /nfs/dbraw/zinc/67/50/37/1066675037.db2.gz UNRRQNIKPDKYQG-UHFFFAOYSA-N 0 0 454.886 4.671 20 0 JJADRN CC1=CCCN(c2nnc(CCOc3ccccc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001492613246 1066675658 /nfs/dbraw/zinc/67/56/58/1066675658.db2.gz MZNGEKBNJGKANS-QFIPXVFZSA-N 0 0 469.630 4.605 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC001456729635 1066675814 /nfs/dbraw/zinc/67/58/14/1066675814.db2.gz PWEIVJRYVJIQPP-UHFFFAOYSA-N 0 0 459.365 4.669 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492613431 1066676008 /nfs/dbraw/zinc/67/60/08/1066676008.db2.gz SZNPMELSRCIGMB-HXUWFJFHSA-N 0 0 463.548 4.515 20 0 JJADRN CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001492613585 1066676129 /nfs/dbraw/zinc/67/61/29/1066676129.db2.gz AEKJAIHIMYWLSK-UHFFFAOYSA-N 0 0 464.035 4.905 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001492613584 1066676210 /nfs/dbraw/zinc/67/62/10/1066676210.db2.gz ADYBSHMCIMOZIU-HXUWFJFHSA-N 0 0 471.577 4.552 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)C[C@@H]2CCC[C@H]2O)s1 ZINC001446236558 1066676359 /nfs/dbraw/zinc/67/63/59/1066676359.db2.gz KUTSJNPJMDZGEM-AZUAARDMSA-N 0 0 451.592 4.724 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC001492613774 1066677036 /nfs/dbraw/zinc/67/70/36/1066677036.db2.gz HXNQPIGZKCHCEO-JOCHJYFZSA-N 0 0 494.640 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCC(C)(c4ccccc4)CC3)cn2)C1 ZINC001446237665 1066677260 /nfs/dbraw/zinc/67/72/60/1066677260.db2.gz KJWKADNTGRNBIA-QFIPXVFZSA-N 0 0 452.599 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCC(C)(c4ccccc4)CC3)cn2)C1 ZINC001446237664 1066677306 /nfs/dbraw/zinc/67/73/06/1066677306.db2.gz KJWKADNTGRNBIA-JOCHJYFZSA-N 0 0 452.599 4.649 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001492614081 1066677712 /nfs/dbraw/zinc/67/77/12/1066677712.db2.gz SVBVCHCXEZFUQL-DNRQZRRGSA-N 0 0 459.034 4.914 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)n2)cc1 ZINC001456736951 1066678382 /nfs/dbraw/zinc/67/83/82/1066678382.db2.gz OHRHMMKMVOVUCL-UHFFFAOYSA-N 0 0 457.581 4.850 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC=C(C)C2)c(C)o1 ZINC001492614218 1066678433 /nfs/dbraw/zinc/67/84/33/1066678433.db2.gz YNMWUPKCYBXVSH-HFZDXXHNSA-N 0 0 485.629 4.624 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)n[nH]1 ZINC001446242949 1066678919 /nfs/dbraw/zinc/67/89/19/1066678919.db2.gz LYFKZSLZRPKUNC-UHFFFAOYSA-N 0 0 456.337 4.736 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492614411 1066678994 /nfs/dbraw/zinc/67/89/94/1066678994.db2.gz DVPBZXGFUOPINS-QGZVFWFLSA-N 0 0 455.500 4.598 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C)CC3)n2CCNC(=O)c2cccs2)c1C ZINC001492614569 1066679080 /nfs/dbraw/zinc/67/90/80/1066679080.db2.gz JTNHRGYPLFDTLX-HXUWFJFHSA-N 0 0 465.623 4.683 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)Oc1cccc(F)c1 ZINC001545982779 1066680225 /nfs/dbraw/zinc/68/02/25/1066680225.db2.gz RANPVJDUODLQCV-PGRDOPGGSA-N 0 0 471.621 4.529 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001456746937 1066680441 /nfs/dbraw/zinc/68/04/41/1066680441.db2.gz LJYXKNQGHDUKIT-NEKDWFFYSA-N 0 0 457.618 4.732 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC001446270852 1066681725 /nfs/dbraw/zinc/68/17/25/1066681725.db2.gz BDDHASQHYZQHHO-UHFFFAOYSA-N 0 0 453.992 4.834 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446271824 1066682522 /nfs/dbraw/zinc/68/25/22/1066682522.db2.gz INSMNKLZOANFFB-KRWDZBQOSA-N 0 0 451.880 4.921 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC001456763450 1066682502 /nfs/dbraw/zinc/68/25/02/1066682502.db2.gz UNTCIOVSOGAIIW-UHFFFAOYSA-N 0 0 455.396 4.801 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Oc1cccc(-c3nc(C(C)(C)C)cs3)c1)C2=O ZINC001456763331 1066682556 /nfs/dbraw/zinc/68/25/56/1066682556.db2.gz BYNNNJWYOSJFMZ-MYYSRTQBSA-N 0 0 455.580 4.514 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001456762519 1066682581 /nfs/dbraw/zinc/68/25/81/1066682581.db2.gz IFFYVZRLMLWGCC-IBGZPJMESA-N 0 0 452.414 4.531 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001446274040 1066683111 /nfs/dbraw/zinc/68/31/11/1066683111.db2.gz NPAYNBLTVNBMMW-UHFFFAOYSA-N 0 0 459.300 4.660 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)c1cccc(Br)c1 ZINC001456764532 1066683237 /nfs/dbraw/zinc/68/32/37/1066683237.db2.gz HHEUDBWNPPSNMF-KRWDZBQOSA-N 0 0 459.262 4.515 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2cccs2)CC1 ZINC001492616163 1066683777 /nfs/dbraw/zinc/68/37/77/1066683777.db2.gz NMLAJIYBKWTREZ-UHFFFAOYSA-N 0 0 462.406 4.900 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001446276958 1066683971 /nfs/dbraw/zinc/68/39/71/1066683971.db2.gz QPXOMBMOXBKQNF-UHFFFAOYSA-N 0 0 454.636 4.933 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC001446279077 1066684410 /nfs/dbraw/zinc/68/44/10/1066684410.db2.gz PFNMQPSWWLEUNJ-GUYCJALGSA-N 0 0 451.365 4.513 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(F)(F)Br)CC1 ZINC001492617303 1066684501 /nfs/dbraw/zinc/68/45/01/1066684501.db2.gz CFZBFJUMKRJRTL-OAHLLOKOSA-N 0 0 490.393 4.537 20 0 JJADRN COc1cccc(COC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1OC(F)F ZINC001456769018 1066684542 /nfs/dbraw/zinc/68/45/42/1066684542.db2.gz JHBWACJWNRUMBZ-UHFFFAOYSA-N 0 0 451.447 4.698 20 0 JJADRN CN(C(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001456769297 1066684610 /nfs/dbraw/zinc/68/46/10/1066684610.db2.gz MVVNGQXSRRXZPC-MRXNPFEDSA-N 0 0 451.316 4.817 20 0 JJADRN COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)C2=O)cc1 ZINC001456770826 1066685259 /nfs/dbraw/zinc/68/52/59/1066685259.db2.gz LNMIWLUGAOAWBQ-QHCPKHFHSA-N 0 0 452.913 4.686 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001456770981 1066685326 /nfs/dbraw/zinc/68/53/26/1066685326.db2.gz LXDKUKFBCHNOSK-LBPRGKRZSA-N 0 0 454.162 4.689 20 0 JJADRN CCOC(=O)CC1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)COC1 ZINC001456770703 1066685408 /nfs/dbraw/zinc/68/54/08/1066685408.db2.gz OWAJNTXAXHGQCT-UHFFFAOYSA-N 0 0 454.375 4.738 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)c(F)c1 ZINC001446282047 1066685377 /nfs/dbraw/zinc/68/53/77/1066685377.db2.gz ZMIZUMFLGAIBRI-CYBMUJFWSA-N 0 0 450.894 4.910 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492618173 1066685871 /nfs/dbraw/zinc/68/58/71/1066685871.db2.gz ZFVWLFWDVRPZOL-KDYSTLNUSA-N 0 0 499.656 4.667 20 0 JJADRN Cc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001446292448 1066686148 /nfs/dbraw/zinc/68/61/48/1066686148.db2.gz OHFQVSNSQGTCAF-UHFFFAOYSA-N 0 0 454.979 4.737 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001446294690 1066686885 /nfs/dbraw/zinc/68/68/85/1066686885.db2.gz ROJNNQQWSAEODW-RBSFLKMASA-N 0 0 457.384 4.671 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC001456772287 1066686933 /nfs/dbraw/zinc/68/69/33/1066686933.db2.gz HEWBHNUZBLCDEL-UHFFFAOYSA-N 0 0 454.857 4.835 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001456772698 1066687046 /nfs/dbraw/zinc/68/70/46/1066687046.db2.gz ABERUGLWIMXKRA-UHFFFAOYSA-N 0 0 452.782 4.999 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001492619628 1066687248 /nfs/dbraw/zinc/68/72/48/1066687248.db2.gz CWYKAVWMHPEPRH-UHFFFAOYSA-N 0 0 461.463 4.809 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001492619589 1066687319 /nfs/dbraw/zinc/68/73/19/1066687319.db2.gz BLYIIVDXSXYBLY-NRFANRHFSA-N 0 0 482.629 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC=C(c4ccccc4Cl)CC3)n[nH]2)C1 ZINC001446298054 1066687596 /nfs/dbraw/zinc/68/75/96/1066687596.db2.gz WFRGOTSMTMZFHZ-QGZVFWFLSA-N 0 0 456.974 4.717 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)o1 ZINC001456780602 1066688608 /nfs/dbraw/zinc/68/86/08/1066688608.db2.gz FIVOKUWUZACLFP-JLHYYAGUSA-N 0 0 454.523 4.608 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(c2nccs2)CC1)NC(=O)OC(C)(C)C ZINC001545984289 1066688809 /nfs/dbraw/zinc/68/88/09/1066688809.db2.gz HFKAZPTXGNFPES-SFHVURJKSA-N 0 0 460.648 4.689 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492620026 1066689335 /nfs/dbraw/zinc/68/93/35/1066689335.db2.gz SMUORTMRJBACCU-GOSISDBHSA-N 0 0 476.021 4.828 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001456785042 1066689956 /nfs/dbraw/zinc/68/99/56/1066689956.db2.gz KYTOJCCQDRRHNM-MRXNPFEDSA-N 0 0 453.029 4.880 20 0 JJADRN CCc1c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456786412 1066690068 /nfs/dbraw/zinc/69/00/68/1066690068.db2.gz KIIWDUQIJXUWME-NRFANRHFSA-N 0 0 457.361 4.619 20 0 JJADRN Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc(C)c1OCc1cccnc1 ZINC001446330119 1066691122 /nfs/dbraw/zinc/69/11/22/1066691122.db2.gz HTNALMQAUSWOPD-FQEVSTJZSA-N 0 0 452.580 4.517 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCNc3ncc(Cl)cc3Cl)C2)c1 ZINC001492620832 1066691391 /nfs/dbraw/zinc/69/13/91/1066691391.db2.gz MKFQTYNBFGPZLM-KRWDZBQOSA-N 0 0 477.444 4.736 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)C)n3CCc3ccc(Br)cc3)C2)c1 ZINC001492621185 1066691497 /nfs/dbraw/zinc/69/14/97/1066691497.db2.gz UQKNBTHURVCSHN-HXUWFJFHSA-N 0 0 457.420 4.753 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001456793474 1066691763 /nfs/dbraw/zinc/69/17/63/1066691763.db2.gz BLBYWBZPOZGNMB-LJQANCHMSA-N 0 0 453.420 4.536 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@H]2C(C)C)CCO1 ZINC001546084962 1066692140 /nfs/dbraw/zinc/69/21/40/1066692140.db2.gz BCBFSEDLTNKAKP-NIJIEXERSA-N 0 0 495.437 4.913 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCCSC)CCO1 ZINC001546084999 1066692236 /nfs/dbraw/zinc/69/22/36/1066692236.db2.gz CFTZJMAHVMCLNG-FQEVSTJZSA-N 0 0 453.450 4.856 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCSC(F)(F)F)C2)c1 ZINC001492621954 1066692757 /nfs/dbraw/zinc/69/27/57/1066692757.db2.gz JOBLBQQWHNZTOM-SFHVURJKSA-N 0 0 468.524 4.607 20 0 JJADRN CC(C)C[C@@H](NC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001446338450 1066692723 /nfs/dbraw/zinc/69/27/23/1066692723.db2.gz SHDVONWHAIXITD-SYJIQKIWSA-N 0 0 452.515 4.639 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1)NC(=O)OC(C)(C)C ZINC001545984643 1066692941 /nfs/dbraw/zinc/69/29/41/1066692941.db2.gz MTAXCWJRHQVQIW-SFHVURJKSA-N 0 0 463.026 4.924 20 0 JJADRN CN(C)c1ccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(C(N)=O)c1 ZINC001446337520 1066693010 /nfs/dbraw/zinc/69/30/10/1066693010.db2.gz OKASVOYYJDLFIE-QHCPKHFHSA-N 0 0 453.995 4.966 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001456796170 1066692846 /nfs/dbraw/zinc/69/28/46/1066692846.db2.gz WOLHIJPRIODUAQ-HSZRJFAPSA-N 0 0 450.901 4.839 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccc(F)cc3)CC2)c1 ZINC001492621611 1066692978 /nfs/dbraw/zinc/69/29/78/1066692978.db2.gz CRRABCMKWNENPB-IBGZPJMESA-N 0 0 454.594 4.604 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001492622049 1066693471 /nfs/dbraw/zinc/69/34/71/1066693471.db2.gz JZDDLBHVUYRJMA-QFIPXVFZSA-N 0 0 499.704 4.644 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)C3CCCCC3)CC2)c1 ZINC001492622171 1066693480 /nfs/dbraw/zinc/69/34/80/1066693480.db2.gz IHJLMGLVIOZLJM-AREMUKBSSA-N 0 0 456.679 4.620 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001456799700 1066693466 /nfs/dbraw/zinc/69/34/66/1066693466.db2.gz FGVCCFUFMAJVCK-DEOSSOPVSA-N 0 0 455.583 4.776 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001456800497 1066693479 /nfs/dbraw/zinc/69/34/79/1066693479.db2.gz KEOMPAOZUDJKGL-FFZOFVMBSA-N 0 0 461.389 4.544 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)/C=C\c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001456802863 1066694372 /nfs/dbraw/zinc/69/43/72/1066694372.db2.gz PNVPMJTWFKNLQU-GTBONMDNSA-N 0 0 453.391 4.515 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001456802871 1066694450 /nfs/dbraw/zinc/69/44/50/1066694450.db2.gz PNVPMJTWFKNLQU-PXTSUWAFSA-N 0 0 453.391 4.515 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)CC2)c1 ZINC001492622952 1066694648 /nfs/dbraw/zinc/69/46/48/1066694648.db2.gz VPBBAOUBFYDOCZ-UHFFFAOYSA-N 0 0 490.574 4.950 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CC(F)(F)F)CC2)c1 ZINC001492622958 1066694822 /nfs/dbraw/zinc/69/48/22/1066694822.db2.gz VRUTVFMONUGJTF-INIZCTEOSA-N 0 0 466.483 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC001446352542 1066694979 /nfs/dbraw/zinc/69/49/79/1066694979.db2.gz BFKCODDVYWQSNZ-UHFFFAOYSA-N 0 0 458.386 4.619 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001456802876 1066695228 /nfs/dbraw/zinc/69/52/28/1066695228.db2.gz PNVPMJTWFKNLQU-SBJJXXPASA-N 0 0 453.391 4.515 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccc2)c1 ZINC001492623333 1066695473 /nfs/dbraw/zinc/69/54/73/1066695473.db2.gz AHVIMOFPGADHPE-UHFFFAOYSA-N 0 0 457.401 4.611 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)[C@@H]1c1cccc(C)c1 ZINC001456804859 1066695726 /nfs/dbraw/zinc/69/57/26/1066695726.db2.gz BOWLXXPYRGNJIA-OZXSUGGESA-N 0 0 450.579 4.657 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)[C@H]1c1cccc(C)c1 ZINC001456804852 1066695834 /nfs/dbraw/zinc/69/58/34/1066695834.db2.gz BOWLXXPYRGNJIA-JYFHCDHNSA-N 0 0 450.579 4.657 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(C(F)(F)F)CC2)c1 ZINC001492623682 1066696293 /nfs/dbraw/zinc/69/62/93/1066696293.db2.gz KZZYDFRIDDICAR-UHFFFAOYSA-N 0 0 497.363 5.000 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)c2cccc(O)c2)c1 ZINC001492623657 1066696367 /nfs/dbraw/zinc/69/63/67/1066696367.db2.gz KITJIBDDERBGPN-HNNXBMFYSA-N 0 0 487.427 4.877 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2Cl)CC1)NC(=O)OC(C)(C)C ZINC001545984940 1066696382 /nfs/dbraw/zinc/69/63/82/1066696382.db2.gz SLRNPDLRUVXUGD-IBGZPJMESA-N 0 0 489.064 4.829 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001545984953 1066696445 /nfs/dbraw/zinc/69/64/45/1066696445.db2.gz SQOWNJXRPKMAAS-NZQKXSOJSA-N 0 0 485.648 4.921 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001456805148 1066696607 /nfs/dbraw/zinc/69/66/07/1066696607.db2.gz VOHBLKVIPWHUNH-LJQANCHMSA-N 0 0 456.271 4.907 20 0 JJADRN CCCCCS(=O)(=O)CC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC001456807125 1066696616 /nfs/dbraw/zinc/69/66/16/1066696616.db2.gz ZCKNZUWGWDMBQW-UHFFFAOYSA-N 0 0 454.386 4.572 20 0 JJADRN O=C(Cc1cccnc1Br)NCC1(c2cccc(Br)c2)CCCC1 ZINC001446363888 1066696885 /nfs/dbraw/zinc/69/68/85/1066696885.db2.gz FLVLXAIEZZJSNL-UHFFFAOYSA-N 0 0 452.190 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(=O)CSc3cccs3)cc1)C2 ZINC001456807509 1066697201 /nfs/dbraw/zinc/69/72/01/1066697201.db2.gz DSIHLXJQVKLEFY-QRVBRYPASA-N 0 0 487.647 4.749 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc4c(o3)c(F)ccc4C)CC2)c(Cl)c1 ZINC001456807390 1066697297 /nfs/dbraw/zinc/69/72/97/1066697297.db2.gz ZYNJTCCFBBGEBE-INIZCTEOSA-N 0 0 458.917 4.594 20 0 JJADRN Cc1cnn(C[C@H]2CN(c3nnc(CSc4ccc(Cl)cc4)n3CCC(C)(F)F)CCO2)c1 ZINC001492624707 1066697363 /nfs/dbraw/zinc/69/73/63/1066697363.db2.gz OIGRSOXPXDXJMT-GOSISDBHSA-N 0 0 497.015 4.679 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)cc3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001492624774 1066697421 /nfs/dbraw/zinc/69/74/21/1066697421.db2.gz ZZVFMIMCVGJPHG-UHFFFAOYSA-N 0 0 487.446 4.697 20 0 JJADRN Cc1cnn(CCn2c(-c3ccccc3C)nnc2N(C)Cc2ccc(Br)s2)c1 ZINC001492626661 1066697961 /nfs/dbraw/zinc/69/79/61/1066697961.db2.gz GPICEGCCPCENEW-UHFFFAOYSA-N 0 0 471.428 4.919 20 0 JJADRN Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001492626874 1066697997 /nfs/dbraw/zinc/69/79/97/1066697997.db2.gz WZVGVQLMYDAPKN-HXUWFJFHSA-N 0 0 476.547 4.669 20 0 JJADRN Cc1cnn(CCn2c(-c3ccccc3C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC001492627153 1066698040 /nfs/dbraw/zinc/69/80/40/1066698040.db2.gz NXGSBPQFGFJVOZ-UHFFFAOYSA-N 0 0 472.437 4.780 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(Br)c2)c1 ZINC001492627134 1066698089 /nfs/dbraw/zinc/69/80/89/1066698089.db2.gz NMNFDCQPAAUEQP-UHFFFAOYSA-N 0 0 486.805 4.598 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC001545985129 1066698479 /nfs/dbraw/zinc/69/84/79/1066698479.db2.gz VSSPEVOQTHDAMT-QFIPXVFZSA-N 0 0 453.675 4.924 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001446378635 1066698549 /nfs/dbraw/zinc/69/85/49/1066698549.db2.gz NNKVJJPXOLKLGW-KOSHJBKYSA-N 0 0 453.970 4.889 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](OCC(C)C)C2)c1 ZINC001492627349 1066698765 /nfs/dbraw/zinc/69/87/65/1066698765.db2.gz WACRLQLWNHGZDZ-GOSISDBHSA-N 0 0 463.413 4.708 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628432 1066699223 /nfs/dbraw/zinc/69/92/23/1066699223.db2.gz FQOZPGPPFOXUSU-QFIPXVFZSA-N 0 0 499.704 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384153 1066699929 /nfs/dbraw/zinc/69/99/29/1066699929.db2.gz DDAQJQLYINLHLJ-INIZCTEOSA-N 0 0 453.421 4.880 20 0 JJADRN O=C(NCC1CCN(C(=O)c2ccccc2SCc2cccs2)CC1)c1ccccn1 ZINC001446382619 1066699959 /nfs/dbraw/zinc/69/99/59/1066699959.db2.gz KKGIXXVYKZSNFQ-UHFFFAOYSA-N 0 0 451.617 4.718 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384100 1066699994 /nfs/dbraw/zinc/69/99/94/1066699994.db2.gz CUQTYVSCKRXGFH-CRAIPNDOSA-N 0 0 453.421 4.879 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccco2)Cc2ccccc2)s1 ZINC001492628677 1066700014 /nfs/dbraw/zinc/70/00/14/1066700014.db2.gz KJDJTDMDGRGNMO-GOSISDBHSA-N 0 0 478.622 4.785 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1Br ZINC001446387123 1066700309 /nfs/dbraw/zinc/70/03/09/1066700309.db2.gz FSRSMWIRXXOHMT-QGZVFWFLSA-N 0 0 458.400 4.787 20 0 JJADRN O=C(c1ccccc1SCc1ccc(Br)cc1)N(CCO)Cc1cccnc1 ZINC001446387227 1066700355 /nfs/dbraw/zinc/70/03/55/1066700355.db2.gz QYLHVRRGWFCGCM-UHFFFAOYSA-N 0 0 457.393 4.771 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)C(F)(F)F ZINC001446389195 1066700388 /nfs/dbraw/zinc/70/03/88/1066700388.db2.gz RLZCHSIFTSDOPZ-OAQYLSRUSA-N 0 0 458.484 4.892 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(-c3ccc(Br)cc3)nnc1N(C)CC(F)(F)F)CCC2 ZINC001492628935 1066700901 /nfs/dbraw/zinc/70/09/01/1066700901.db2.gz PSFJCRPLNCMBTQ-HNNXBMFYSA-N 0 0 483.336 4.789 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492629380 1066700935 /nfs/dbraw/zinc/70/09/35/1066700935.db2.gz ANLODDFAFJYRCT-FZMZJTMJSA-N 0 0 467.462 4.546 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCCc3cc(Cl)ccc3Br)c2N1 ZINC001446390250 1066701012 /nfs/dbraw/zinc/70/10/12/1066701012.db2.gz ITMHLRWEJNAVDC-YMTOWFKASA-N 0 0 465.701 4.579 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492629490 1066701462 /nfs/dbraw/zinc/70/14/62/1066701462.db2.gz CCGVIZCQMUVXMC-ICSRJNTNSA-N 0 0 480.682 4.892 20 0 JJADRN O=C(c1c(Cl)ccnc1Br)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446395705 1066701583 /nfs/dbraw/zinc/70/15/83/1066701583.db2.gz NTUNAKKWPKNUFA-MRVPVSSYSA-N 0 0 454.699 4.993 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001492629739 1066701834 /nfs/dbraw/zinc/70/18/34/1066701834.db2.gz HFFDCEPXHJJYFA-DJIMGWMZSA-N 0 0 487.651 4.518 20 0 JJADRN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446397303 1066702087 /nfs/dbraw/zinc/70/20/87/1066702087.db2.gz OUUFTTZUVLYTKQ-SECBINFHSA-N 0 0 459.291 4.821 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001446398607 1066702100 /nfs/dbraw/zinc/70/21/00/1066702100.db2.gz PDURGANNGLLMIV-UHFFFAOYSA-N 0 0 458.027 4.581 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cc(Cl)cc(Br)c2F)o1 ZINC001456830860 1066702910 /nfs/dbraw/zinc/70/29/10/1066702910.db2.gz OZTYZEAEVUIPNP-INIZCTEOSA-N 0 0 450.695 4.873 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492630005 1066702964 /nfs/dbraw/zinc/70/29/64/1066702964.db2.gz LSYYGGXFCUZWGF-MMOPVJDHSA-N 0 0 473.618 4.987 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492630003 1066702997 /nfs/dbraw/zinc/70/29/97/1066702997.db2.gz LSYYGGXFCUZWGF-BLIXFSHQSA-N 0 0 473.618 4.987 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492630013 1066703014 /nfs/dbraw/zinc/70/30/14/1066703014.db2.gz MBGVFCOIBXLKKW-AWEZNQCLSA-N 0 0 493.475 4.593 20 0 JJADRN Nc1cc(I)ccc1C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001446418078 1066703159 /nfs/dbraw/zinc/70/31/59/1066703159.db2.gz APMQYFLCISMJPW-NRFANRHFSA-N 0 0 454.311 4.813 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC001456835673 1066703347 /nfs/dbraw/zinc/70/33/47/1066703347.db2.gz WBBLFOHOFPCXQU-FHWLQOOXSA-N 0 0 455.640 4.610 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492630254 1066704008 /nfs/dbraw/zinc/70/40/08/1066704008.db2.gz QPWFZNVYRFLXFZ-MRXNPFEDSA-N 0 0 474.581 4.951 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cnccn2)s1 ZINC001492630237 1066704042 /nfs/dbraw/zinc/70/40/42/1066704042.db2.gz QIWOJTBSXTXGEP-CYBMUJFWSA-N 0 0 457.966 4.733 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC2CCOCC2)s1 ZINC001492630297 1066704157 /nfs/dbraw/zinc/70/41/57/1066704157.db2.gz RKTDGDZCNKXEOP-HNNXBMFYSA-N 0 0 477.581 4.978 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 ZINC001456840837 1066704110 /nfs/dbraw/zinc/70/41/10/1066704110.db2.gz FIGJQSDAFGYLNZ-IBGZPJMESA-N 0 0 451.954 4.616 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492630398 1066704679 /nfs/dbraw/zinc/70/46/79/1066704679.db2.gz TZXINISHTSCHMB-FPMFFAJLSA-N 0 0 481.489 4.935 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)CC2(Cl)Cl)cc1 ZINC001446428263 1066704621 /nfs/dbraw/zinc/70/46/21/1066704621.db2.gz PELYAVDSXUXWCZ-NZQKXSOJSA-N 0 0 450.406 4.819 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001492630577 1066705008 /nfs/dbraw/zinc/70/50/08/1066705008.db2.gz XDENDJUEIMMFTA-CABCVRRESA-N 0 0 476.444 4.891 20 0 JJADRN COc1cnc([C@@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[nH]c1=O ZINC001456847796 1066705090 /nfs/dbraw/zinc/70/50/90/1066705090.db2.gz LYIGOMFXRJKWLD-AWEZNQCLSA-N 0 0 451.335 4.598 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC001456845448 1066705123 /nfs/dbraw/zinc/70/51/23/1066705123.db2.gz VOOXFAXTYCCTGF-NRFANRHFSA-N 0 0 454.526 4.815 20 0 JJADRN CC(C)(CO)[C@H](CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC001446430805 1066705092 /nfs/dbraw/zinc/70/50/92/1066705092.db2.gz WEEOZKCHUQKTDV-OAQYLSRUSA-N 0 0 459.011 4.837 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492630665 1066705534 /nfs/dbraw/zinc/70/55/34/1066705534.db2.gz YQYOXAWXXWEOIN-AZUAARDMSA-N 0 0 482.654 4.579 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC001446435697 1066705748 /nfs/dbraw/zinc/70/57/48/1066705748.db2.gz SCZUJNHASYZPLM-AWEZNQCLSA-N 0 0 456.955 4.777 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492630876 1066706142 /nfs/dbraw/zinc/70/61/42/1066706142.db2.gz BRRPHHPXSYKUPH-SFHVURJKSA-N 0 0 476.691 4.740 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492630929 1066706794 /nfs/dbraw/zinc/70/67/94/1066706794.db2.gz CGAAQSHGBJPQMQ-DBXWQHBBSA-N 0 0 469.655 4.904 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545986250 1066706850 /nfs/dbraw/zinc/70/68/50/1066706850.db2.gz CAPXJEKQODLKGC-FYYLOGMGSA-N 0 0 499.656 4.913 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2c(F)ccc(C(F)(F)F)c2Br)n1 ZINC001456855680 1066706829 /nfs/dbraw/zinc/70/68/29/1066706829.db2.gz PZWLYCSHSZFFSN-UHFFFAOYSA-N 0 0 455.227 4.517 20 0 JJADRN CCCOc1ccc(C(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1OCC ZINC001456856875 1066706855 /nfs/dbraw/zinc/70/68/55/1066706855.db2.gz AOZNVOJIYWLYED-UHFFFAOYSA-N 0 0 451.485 4.629 20 0 JJADRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001446462474 1066707031 /nfs/dbraw/zinc/70/70/31/1066707031.db2.gz UXNJARPVNCQOAX-DZGCQCFKSA-N 0 0 452.454 4.591 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631193 1066707417 /nfs/dbraw/zinc/70/74/17/1066707417.db2.gz HQPQDVIOBUSZOL-AEFFLSMTSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1cc(C)cc(C2CCN(C(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001456858330 1066707425 /nfs/dbraw/zinc/70/74/25/1066707425.db2.gz PFJTUHQKCIMABN-FQEVSTJZSA-N 0 0 452.599 4.771 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(C1)CCCCC2)OC ZINC001545986364 1066707381 /nfs/dbraw/zinc/70/73/81/1066707381.db2.gz DUDJEMLDTSLCBR-LEWJYISDSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631451 1066707833 /nfs/dbraw/zinc/70/78/33/1066707833.db2.gz KXLGYBIWEGJFSH-AEFFLSMTSA-N 0 0 474.675 4.855 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)s1 ZINC001492631431 1066707852 /nfs/dbraw/zinc/70/78/52/1066707852.db2.gz KQZDTKJQTLUJOA-HZPDHXFCSA-N 0 0 496.578 4.649 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CCSc2ccccc2Br)n1 ZINC001456860712 1066707972 /nfs/dbraw/zinc/70/79/72/1066707972.db2.gz JSPJKRNXLIJTTF-AWEZNQCLSA-N 0 0 456.406 4.707 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1)OC ZINC001545986392 1066708118 /nfs/dbraw/zinc/70/81/18/1066708118.db2.gz FELWYVLWFRVGQF-PZJWPPBQSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cnc(C)s2)s1 ZINC001492631504 1066708282 /nfs/dbraw/zinc/70/82/82/1066708282.db2.gz LSDPBGBYWIRGRB-CQSZACIVSA-N 0 0 456.616 4.978 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)C1 ZINC001456862430 1066708340 /nfs/dbraw/zinc/70/83/40/1066708340.db2.gz MDXZYJHXPXTJJQ-CYFREDJKSA-N 0 0 457.412 4.672 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001545986638 1066708421 /nfs/dbraw/zinc/70/84/21/1066708421.db2.gz IMUDXXXVPZIGJJ-AKIFATBCSA-N 0 0 467.658 4.845 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001545986639 1066708535 /nfs/dbraw/zinc/70/85/35/1066708535.db2.gz IMUDXXXVPZIGJJ-MZYLBHOOSA-N 0 0 467.658 4.845 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492631883 1066708892 /nfs/dbraw/zinc/70/88/92/1066708892.db2.gz SZXCCQGGNJXWDG-QUCCMNQESA-N 0 0 461.676 4.772 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(Cl)cc2)CCO1 ZINC001546085309 1066709112 /nfs/dbraw/zinc/70/91/12/1066709112.db2.gz IZLASVMKSIOQAR-JOCHJYFZSA-N 0 0 492.849 4.948 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492631867 1066709104 /nfs/dbraw/zinc/70/91/04/1066709104.db2.gz SMIPOZSAANPHTR-RDJZCZTQSA-N 0 0 461.582 4.721 20 0 JJADRN COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c2ccccc12 ZINC001456865901 1066709593 /nfs/dbraw/zinc/70/95/93/1066709593.db2.gz QIASXSSOZOLTOG-GOSISDBHSA-N 0 0 453.560 4.939 20 0 JJADRN O=C(c1c(F)c(Br)ccc1I)N1CCC2(CCCC2)C1 ZINC001456866243 1066709677 /nfs/dbraw/zinc/70/96/77/1066709677.db2.gz VXPSMKQNBRUNPJ-UHFFFAOYSA-N 0 0 452.105 4.599 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)s1 ZINC001492632209 1066709870 /nfs/dbraw/zinc/70/98/70/1066709870.db2.gz YSJMBMGQWRGGIC-SJLPKXTDSA-N 0 0 458.607 4.627 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)s1 ZINC001492632207 1066709884 /nfs/dbraw/zinc/70/98/84/1066709884.db2.gz YSJMBMGQWRGGIC-AEFFLSMTSA-N 0 0 458.607 4.627 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC001492632018 1066709894 /nfs/dbraw/zinc/70/98/94/1066709894.db2.gz VUJXLXRVAHZEGG-ZDUSSCGKSA-N 0 0 469.581 4.824 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)s1 ZINC001492632210 1066709905 /nfs/dbraw/zinc/70/99/05/1066709905.db2.gz YSJMBMGQWRGGIC-WMZOPIPTSA-N 0 0 458.607 4.627 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446487815 1066710037 /nfs/dbraw/zinc/71/00/37/1066710037.db2.gz PKVNWZGDLBCCSL-WOJBJXKFSA-N 0 0 452.389 4.936 20 0 JJADRN O=C(Cn1cnc(-c2ccccc2)cc1=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001456866529 1066710106 /nfs/dbraw/zinc/71/01/06/1066710106.db2.gz UCVPFPFYIUOISZ-IBGZPJMESA-N 0 0 456.342 4.776 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC001446489904 1066710147 /nfs/dbraw/zinc/71/01/47/1066710147.db2.gz FGZPBTPQFFGWTR-LJQANCHMSA-N 0 0 456.534 4.988 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)C2)s1 ZINC001492632425 1066710431 /nfs/dbraw/zinc/71/04/31/1066710431.db2.gz FAPMZLBFDRGFJV-BQFCYCMXSA-N 0 0 460.648 4.765 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(I)c3)cc2)o1 ZINC001456868960 1066710554 /nfs/dbraw/zinc/71/05/54/1066710554.db2.gz ZBRDUHQTTVFQHX-UHFFFAOYSA-N 0 0 453.667 4.809 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456869039 1066710641 /nfs/dbraw/zinc/71/06/41/1066710641.db2.gz CECIWAXMLWHYKI-DAYGRLMNSA-N 0 0 452.393 4.907 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1)c1cccs1 ZINC001446491543 1066710806 /nfs/dbraw/zinc/71/08/06/1066710806.db2.gz ZSVAYHATGNZYQW-FGZHOGPDSA-N 0 0 452.551 4.546 20 0 JJADRN Cc1ccc(OC(=O)C2(c3cccc(Cl)c3)CCOCC2)c(I)c1 ZINC001456870797 1066711109 /nfs/dbraw/zinc/71/11/09/1066711109.db2.gz YUXJZSXRKCXDOW-UHFFFAOYSA-N 0 0 456.707 4.907 20 0 JJADRN CO[C@@]1(C)C[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(C)C ZINC001456871181 1066711166 /nfs/dbraw/zinc/71/11/66/1066711166.db2.gz IIVWUOVENWQDKJ-MBSDFSHPSA-N 0 0 458.484 4.887 20 0 JJADRN CC(C)[C@@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001446499389 1066711178 /nfs/dbraw/zinc/71/11/78/1066711178.db2.gz VFVIHJZKHDJRGD-HXUWFJFHSA-N 0 0 457.537 4.508 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC001446502663 1066711292 /nfs/dbraw/zinc/71/12/92/1066711292.db2.gz WIONEHAZGVTHBE-RPBOFIJWSA-N 0 0 458.533 4.951 20 0 JJADRN CC(C)(C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1cccnc1 ZINC001456870034 1066711328 /nfs/dbraw/zinc/71/13/28/1066711328.db2.gz UYRNSBZDJMXQFP-UHFFFAOYSA-N 0 0 458.381 4.517 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CCC(F)(F)F)s1 ZINC001492632693 1066711433 /nfs/dbraw/zinc/71/14/33/1066711433.db2.gz KKLQMQMZJBBVGS-ZDUSSCGKSA-N 0 0 457.497 4.953 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446506760 1066711646 /nfs/dbraw/zinc/71/16/46/1066711646.db2.gz RJKWOZQTADYYOW-QHCPKHFHSA-N 0 0 454.011 4.826 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001456876791 1066712183 /nfs/dbraw/zinc/71/21/83/1066712183.db2.gz KRTHUCPJLYAFHP-BFUOFWGJSA-N 0 0 455.769 4.835 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CCOCC(F)(F)C(F)F)CC2)s1 ZINC001492632927 1066712479 /nfs/dbraw/zinc/71/24/79/1066712479.db2.gz QFZWPKJHUDKDNF-UHFFFAOYSA-N 0 0 463.545 4.642 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)s1 ZINC001492633002 1066712514 /nfs/dbraw/zinc/71/25/14/1066712514.db2.gz RZWAOQVMGUEVEB-STZQEDGTSA-N 0 0 483.682 4.764 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)s1 ZINC001492633003 1066712542 /nfs/dbraw/zinc/71/25/42/1066712542.db2.gz RZWAOQVMGUEVEB-VLCRHTCISA-N 0 0 483.682 4.764 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC001492632932 1066712585 /nfs/dbraw/zinc/71/25/85/1066712585.db2.gz QJVQHGKGBKHZGP-LZLYRXPVSA-N 0 0 472.684 4.853 20 0 JJADRN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCO1 ZINC001456878873 1066712706 /nfs/dbraw/zinc/71/27/06/1066712706.db2.gz GQAWVPFNABMFSL-CKDRMYOASA-N 0 0 458.599 4.601 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC001446511250 1066712793 /nfs/dbraw/zinc/71/27/93/1066712793.db2.gz FSGYZPFXQYOUKW-VGOFRKELSA-N 0 0 450.627 4.554 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)c(C)c1 ZINC001456879700 1066712773 /nfs/dbraw/zinc/71/27/73/1066712773.db2.gz GJIUJPKXUSLRHT-HTAPYJJXSA-N 0 0 458.624 4.605 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Oc1ccc(Br)cc1 ZINC001456879696 1066712839 /nfs/dbraw/zinc/71/28/39/1066712839.db2.gz GILXJRSYBCTVQM-XHBKTUGNSA-N 0 0 458.274 4.515 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492633042 1066712964 /nfs/dbraw/zinc/71/29/64/1066712964.db2.gz SSVXPNRKYRASGJ-PXNSSMCTSA-N 0 0 488.702 4.883 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC001446511253 1066712979 /nfs/dbraw/zinc/71/29/79/1066712979.db2.gz FSGYZPFXQYOUKW-VGSWGCGISA-N 0 0 450.627 4.554 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)C[C@H](C)c3nccs3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633114 1066712994 /nfs/dbraw/zinc/71/29/94/1066712994.db2.gz UWGMSLAHMYPXES-YGKZAACZSA-N 0 0 490.699 4.584 20 0 JJADRN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001456881456 1066713330 /nfs/dbraw/zinc/71/33/30/1066713330.db2.gz FCGURGBUTNFHQX-XXBNENTESA-N 0 0 459.384 4.977 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2cccs2)s1 ZINC001492633212 1066713449 /nfs/dbraw/zinc/71/34/49/1066713449.db2.gz WRNRETWMNNRUBA-AWEZNQCLSA-N 0 0 458.682 4.943 20 0 JJADRN COc1ccc([C@@H](NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)c2ccccc2OC)cc1 ZINC001446517264 1066713651 /nfs/dbraw/zinc/71/36/51/1066713651.db2.gz OBCKAGOLLSDRFU-VWLBVBLESA-N 0 0 454.567 4.603 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001456882586 1066713840 /nfs/dbraw/zinc/71/38/40/1066713840.db2.gz MIWPBRJNQJIQTB-OTWHNJEPSA-N 0 0 455.640 4.612 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001492633364 1066713963 /nfs/dbraw/zinc/71/39/63/1066713963.db2.gz AVEPTVWJXOKHDD-LJQANCHMSA-N 0 0 492.393 4.584 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O ZINC001446519441 1066714186 /nfs/dbraw/zinc/71/41/86/1066714186.db2.gz YRPSGRJOGLEYPJ-UHFFFAOYSA-N 0 0 456.502 4.925 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1O2 ZINC001456885521 1066714230 /nfs/dbraw/zinc/71/42/30/1066714230.db2.gz KXSUVCZVJSNVJY-NTKDMRAZSA-N 0 0 458.942 4.679 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)CC2)n1 ZINC001456885956 1066714328 /nfs/dbraw/zinc/71/43/28/1066714328.db2.gz TWJHBKFATIAYNI-UHFFFAOYSA-N 0 0 453.439 4.958 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633445 1066714506 /nfs/dbraw/zinc/71/45/06/1066714506.db2.gz ZUNRFRUBQNPJHX-GGUMNFRJSA-N 0 0 461.676 4.760 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)Nc1ccc(N2CCCC2)cn1 ZINC001446520908 1066714598 /nfs/dbraw/zinc/71/45/98/1066714598.db2.gz REWWIILZOREADW-UHFFFAOYSA-N 0 0 459.207 4.840 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@](C)(OC)C2CC2)CCO1 ZINC001546085444 1066714833 /nfs/dbraw/zinc/71/48/33/1066714833.db2.gz LLXXDLQJYBPPMB-XZOQPEGZSA-N 0 0 493.446 4.537 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CCC4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)CC2)s1 ZINC001492633495 1066714803 /nfs/dbraw/zinc/71/48/03/1066714803.db2.gz CZCKTKIELCUYIW-INIZCTEOSA-N 0 0 474.675 4.855 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4ccsc4)n3CCCOC(F)F)CC2)s1 ZINC001492633698 1066715444 /nfs/dbraw/zinc/71/54/44/1066715444.db2.gz LWOVOVALODGQHK-UHFFFAOYSA-N 0 0 453.584 4.709 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001456893143 1066715846 /nfs/dbraw/zinc/71/58/46/1066715846.db2.gz CIPJEOBJMMFVRK-IVZQSRNASA-N 0 0 456.384 4.667 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(Br)c(Cl)cc1OC ZINC001456895775 1066716339 /nfs/dbraw/zinc/71/63/39/1066716339.db2.gz OFRIDSZGFYMKTP-UHFFFAOYSA-N 0 0 453.764 4.829 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2cc(Br)c(C)cc2Br)c1 ZINC001456896879 1066716396 /nfs/dbraw/zinc/71/63/96/1066716396.db2.gz PAUKICRDHIBCGC-LBPRGKRZSA-N 0 0 457.162 4.726 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)Nc3nc4c(cccc4OCC(F)(F)F)s3)c2N1 ZINC001456898489 1066716998 /nfs/dbraw/zinc/71/69/98/1066716998.db2.gz CSMDMAOVTRBBIM-PSASIEDQSA-N 0 0 461.416 4.697 20 0 JJADRN Cc1cc(C(=O)Nc2cnccc2OC(C)(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001446532705 1066717103 /nfs/dbraw/zinc/71/71/03/1066717103.db2.gz DRSNDRHBIMWONP-UHFFFAOYSA-N 0 0 459.612 4.549 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001492634490 1066717254 /nfs/dbraw/zinc/71/72/54/1066717254.db2.gz PIMFULQWLRSWJJ-WOJBJXKFSA-N 0 0 497.615 4.946 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001446531817 1066717255 /nfs/dbraw/zinc/71/72/55/1066717255.db2.gz ZXPVFZONOLADPN-INIZCTEOSA-N 0 0 453.720 4.548 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21)Cc1ccccc1OC ZINC001446537107 1066717553 /nfs/dbraw/zinc/71/75/53/1066717553.db2.gz FEDZQOPVDKULMS-LJQANCHMSA-N 0 0 458.514 4.574 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)Cc1ccccc1OC ZINC001446535200 1066717598 /nfs/dbraw/zinc/71/75/98/1066717598.db2.gz CECNKVWGLJDZRA-LJQANCHMSA-N 0 0 453.485 4.711 20 0 JJADRN CC(C)(C)OC(=O)Nc1nc(CNC(=O)COc2ccccc2Cc2ccccc2)cs1 ZINC001456904014 1066717957 /nfs/dbraw/zinc/71/79/57/1066717957.db2.gz XJFUZWSMUDRLBC-UHFFFAOYSA-N 0 0 453.564 4.776 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2nc3c(cccc3OCC(F)(F)F)s2)CCC1 ZINC001456902168 1066717979 /nfs/dbraw/zinc/71/79/79/1066717979.db2.gz KWESQAZVYHVJCN-UHFFFAOYSA-N 0 0 459.490 4.966 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)CCCC2)cc1 ZINC001446540332 1066718274 /nfs/dbraw/zinc/71/82/74/1066718274.db2.gz WIRMNYVSSMXVMH-FGZHOGPDSA-N 0 0 452.620 4.616 20 0 JJADRN COc1ccc(-c2cncc(C(=O)NCc3csc(=NC(=O)OC(C)(C)C)[nH]3)c2)c(C)c1 ZINC001456909329 1066718487 /nfs/dbraw/zinc/71/84/87/1066718487.db2.gz ZWVXPWWGFYSVPY-UHFFFAOYSA-N 0 0 454.552 4.799 20 0 JJADRN CCCc1c(C(=O)NCc2csc(=NC(=O)OC(C)(C)C)[nH]2)cnn1-c1cccc(C)c1 ZINC001456906734 1066718538 /nfs/dbraw/zinc/71/85/38/1066718538.db2.gz OEMNDGSUINESCK-UHFFFAOYSA-N 0 0 455.584 4.867 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001492635625 1066718792 /nfs/dbraw/zinc/71/87/92/1066718792.db2.gz XHUVCBJQLIBMRJ-AZUAARDMSA-N 0 0 487.645 4.654 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001492635613 1066718866 /nfs/dbraw/zinc/71/88/66/1066718866.db2.gz WSDBEXKJFYMGAI-OAQYLSRUSA-N 0 0 460.525 4.914 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546085581 1066719084 /nfs/dbraw/zinc/71/90/84/1066719084.db2.gz NXIODRAJUAORJB-GOSISDBHSA-N 0 0 470.824 4.804 20 0 JJADRN CCSc1ccc(CC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001456910662 1066719103 /nfs/dbraw/zinc/71/91/03/1066719103.db2.gz CUYOMVCIAAFWQH-HNNXBMFYSA-N 0 0 457.434 4.571 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)n[nH]2)CC1 ZINC001446548089 1066719504 /nfs/dbraw/zinc/71/95/04/1066719504.db2.gz QCYOCTPGPVHPJQ-KZNAEPCWSA-N 0 0 450.505 4.557 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001456910849 1066719539 /nfs/dbraw/zinc/71/95/39/1066719539.db2.gz CLHMBIMATLVRHW-SVFBPWRDSA-N 0 0 455.396 4.905 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001446550796 1066719560 /nfs/dbraw/zinc/71/95/60/1066719560.db2.gz FCUNRFTXHAWSGK-CDNPAEQRSA-N 0 0 458.599 4.781 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492636074 1066719984 /nfs/dbraw/zinc/71/99/84/1066719984.db2.gz KKUUPBJGAZOKLX-SLFFLAALSA-N 0 0 457.619 4.789 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001456913416 1066720201 /nfs/dbraw/zinc/72/02/01/1066720201.db2.gz QYWUEJSJUBJVJX-DEOSSOPVSA-N 0 0 451.590 4.693 20 0 JJADRN O=C(N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001446559979 1066720458 /nfs/dbraw/zinc/72/04/58/1066720458.db2.gz SHXGENXINUUJCZ-SJLPKXTDSA-N 0 0 453.327 4.831 20 0 JJADRN CON(C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCCOc2ccccc21 ZINC001446553818 1066720474 /nfs/dbraw/zinc/72/04/74/1066720474.db2.gz JRHVROOPEKQSCO-GOSISDBHSA-N 0 0 458.580 4.959 20 0 JJADRN O=C(N1CCCCC[C@@H]1C[C@H](O)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001446559972 1066720553 /nfs/dbraw/zinc/72/05/53/1066720553.db2.gz SHXGENXINUUJCZ-AEFFLSMTSA-N 0 0 453.327 4.831 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccccc1F ZINC001545987371 1066720645 /nfs/dbraw/zinc/72/06/45/1066720645.db2.gz SFDVAAHBCCZZEF-YLJYHZDGSA-N 0 0 459.591 4.652 20 0 JJADRN CC[C@H](NC(=O)c1cc(C)ccc1I)c1nc(C(F)(F)F)cs1 ZINC001456917622 1066720619 /nfs/dbraw/zinc/72/06/19/1066720619.db2.gz OYGGEMYCGNFJKU-NSHDSACASA-N 0 0 454.255 4.956 20 0 JJADRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001446566260 1066721077 /nfs/dbraw/zinc/72/10/77/1066721077.db2.gz LBXMBCLFEDOAEM-QRWLVFNGSA-N 0 0 458.580 4.860 20 0 JJADRN Cc1coc(C)c1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492636497 1066721736 /nfs/dbraw/zinc/72/17/36/1066721736.db2.gz SAKVWGNXBRQYDW-QFIPXVFZSA-N 0 0 479.625 4.672 20 0 JJADRN C[C@H](CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)Oc1ccccc1F ZINC001456918298 1066721892 /nfs/dbraw/zinc/72/18/92/1066721892.db2.gz GPZGPWMIZCPVAU-GOSISDBHSA-N 0 0 458.599 4.812 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001492636866 1066722185 /nfs/dbraw/zinc/72/21/85/1066722185.db2.gz ZCYLWCAIVAKLQW-OAQYLSRUSA-N 0 0 470.017 4.521 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC001492636908 1066722682 /nfs/dbraw/zinc/72/26/82/1066722682.db2.gz HOOZQOXLMVHCBW-MRXNPFEDSA-N 0 0 485.633 4.900 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)n1 ZINC001492637092 1066722697 /nfs/dbraw/zinc/72/26/97/1066722697.db2.gz KTSBAUQSHTYRMU-HIFRSBDPSA-N 0 0 451.518 4.971 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC001456922044 1066722981 /nfs/dbraw/zinc/72/29/81/1066722981.db2.gz NFVMNASTMJXELG-MRXNPFEDSA-N 0 0 453.516 4.743 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001492637262 1066722952 /nfs/dbraw/zinc/72/29/52/1066722952.db2.gz NPOFSOQZKVLFMQ-GOEBONIOSA-N 0 0 476.444 4.749 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1cnc2ccccn21 ZINC001446573404 1066723070 /nfs/dbraw/zinc/72/30/70/1066723070.db2.gz WPUYOVYADXBKSW-UHFFFAOYSA-N 0 0 457.231 4.857 20 0 JJADRN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446583430 1066723485 /nfs/dbraw/zinc/72/34/85/1066723485.db2.gz IAPYBGMVONPRPT-LRDDRELGSA-N 0 0 457.905 4.907 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](C)Oc3ccc(F)cc3)[C@H]2c2cccs2)cc1 ZINC001456925148 1066723475 /nfs/dbraw/zinc/72/34/75/1066723475.db2.gz UGGGQASFMCKBAY-GQOCTPOGSA-N 0 0 452.551 4.874 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C)C2)n1 ZINC001492637424 1066723523 /nfs/dbraw/zinc/72/35/23/1066723523.db2.gz RCSUCNQETDBBPD-CVEARBPZSA-N 0 0 473.046 4.666 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)n1 ZINC001492637409 1066723623 /nfs/dbraw/zinc/72/36/23/1066723623.db2.gz QTDZTXIBBGZRET-NQIIRXRSSA-N 0 0 479.654 4.936 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456925976 1066723959 /nfs/dbraw/zinc/72/39/59/1066723959.db2.gz UXUDELWRNZPFMT-LEXZLQQCSA-N 0 0 452.904 4.975 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1c(Cl)cccc1Br ZINC001456927899 1066723993 /nfs/dbraw/zinc/72/39/93/1066723993.db2.gz JPWDTSOJGMMRCS-UHFFFAOYSA-N 0 0 450.808 4.805 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCSC[C@H]2C)n1 ZINC001492637628 1066723984 /nfs/dbraw/zinc/72/39/84/1066723984.db2.gz VXQXQTUJKOXTAJ-SJLPKXTDSA-N 0 0 470.668 4.658 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCSC[C@H]2C)n1 ZINC001492637627 1066724082 /nfs/dbraw/zinc/72/40/82/1066724082.db2.gz VXQXQTUJKOXTAJ-FUHWJXTLSA-N 0 0 470.668 4.658 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C)C2)n1 ZINC001492637544 1066724088 /nfs/dbraw/zinc/72/40/88/1066724088.db2.gz UKFCKZYTSPAQPH-HIFRSBDPSA-N 0 0 462.417 4.501 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)n1 ZINC001492637622 1066724161 /nfs/dbraw/zinc/72/41/61/1066724161.db2.gz VWXOAMQHBWBIEK-AWEZNQCLSA-N 0 0 471.993 4.775 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1ccc(Cl)cc1Br ZINC001456929648 1066724360 /nfs/dbraw/zinc/72/43/60/1066724360.db2.gz NBSQXRIVHCNFND-UHFFFAOYSA-N 0 0 450.808 4.805 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)n1 ZINC001492637704 1066724492 /nfs/dbraw/zinc/72/44/92/1066724492.db2.gz XTUGOGIFGIKDHA-DLBZAZTESA-N 0 0 487.695 4.790 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)n1nnnc1C(C)(C)C ZINC001446590566 1066724546 /nfs/dbraw/zinc/72/45/46/1066724546.db2.gz WXJRRHKGCZCEKT-CYBMUJFWSA-N 0 0 451.918 4.559 20 0 JJADRN COc1cc(NCCNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1 ZINC001446602016 1066724995 /nfs/dbraw/zinc/72/49/95/1066724995.db2.gz QDDVHMCPIYSLIQ-UHFFFAOYSA-N 0 0 452.363 4.976 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987677 1066725143 /nfs/dbraw/zinc/72/51/43/1066725143.db2.gz VNMWJFFUNGDSRU-XPNTWCBSSA-N 0 0 499.656 4.728 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987676 1066725205 /nfs/dbraw/zinc/72/52/05/1066725205.db2.gz VNMWJFFUNGDSRU-XJUOHMSHSA-N 0 0 499.656 4.728 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC001456933094 1066725467 /nfs/dbraw/zinc/72/54/67/1066725467.db2.gz SMNHWVSOTRYHGV-YLJYHZDGSA-N 0 0 456.384 4.707 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC001456936169 1066725538 /nfs/dbraw/zinc/72/55/38/1066725538.db2.gz WSPDFIBREHDFAN-CCLHPLFOSA-N 0 0 454.574 4.586 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)c(F)c1)OC ZINC001545987688 1066725624 /nfs/dbraw/zinc/72/56/24/1066725624.db2.gz VOGLZAIDGDHNSJ-RBUKOAKNSA-N 0 0 493.599 4.732 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)c2nccs2)n1 ZINC001492638389 1066726475 /nfs/dbraw/zinc/72/64/75/1066726475.db2.gz GLSGORHYCWFJRT-HOTGVXAUSA-N 0 0 453.641 4.529 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC001545987822 1066726476 /nfs/dbraw/zinc/72/64/76/1066726476.db2.gz XJJWWRUDXUKFHW-MSOLQXFVSA-N 0 0 489.583 4.644 20 0 JJADRN CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456941094 1066726990 /nfs/dbraw/zinc/72/69/90/1066726990.db2.gz PNFRSUGLBUDULN-CQSZACIVSA-N 0 0 454.445 4.927 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)[C@H](C)c3ccco3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492638651 1066727007 /nfs/dbraw/zinc/72/70/07/1066727007.db2.gz JFUGCCDNAIPWIE-UQNRQAKVSA-N 0 0 459.616 4.678 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC001492638963 1066727565 /nfs/dbraw/zinc/72/75/65/1066727565.db2.gz KQTYFHHUHAQAMR-GOSISDBHSA-N 0 0 475.622 4.600 20 0 JJADRN Cc1ccc(O[C@H](C)CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 ZINC001456950871 1066728248 /nfs/dbraw/zinc/72/82/48/1066728248.db2.gz WPYBAUKMYMGARB-MRXNPFEDSA-N 0 0 454.368 4.629 20 0 JJADRN C[C@@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC001456950037 1066728313 /nfs/dbraw/zinc/72/83/13/1066728313.db2.gz ICVZTGKZAFOAIQ-OAQYLSRUSA-N 0 0 452.558 4.736 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC001492639048 1066728134 /nfs/dbraw/zinc/72/81/34/1066728134.db2.gz MLIPBDIDBWDZBT-LJQANCHMSA-N 0 0 489.649 4.524 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@H](C)C2)n1 ZINC001492639296 1066728717 /nfs/dbraw/zinc/72/87/17/1066728717.db2.gz ORCQYBKJQUVBRX-PKOBYXMFSA-N 0 0 457.669 4.984 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)c2)n1 ZINC001446648782 1066728812 /nfs/dbraw/zinc/72/88/12/1066728812.db2.gz UULZNKAWNBHRCU-UHFFFAOYSA-N 0 0 452.440 4.854 20 0 JJADRN CN(C[C@H](O)c1cccnc1)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001456950967 1066728826 /nfs/dbraw/zinc/72/88/26/1066728826.db2.gz PEGPELNSVZKXFD-INIZCTEOSA-N 0 0 450.391 4.982 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)cc1Cl)c1nc(C2CCCCC2)no1 ZINC001456955468 1066729117 /nfs/dbraw/zinc/72/91/17/1066729117.db2.gz BTHDJHAEHWDMCH-JTQLQIEISA-N 0 0 459.715 4.866 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001446651479 1066729364 /nfs/dbraw/zinc/72/93/64/1066729364.db2.gz MFPRGUUZUSYIEL-HSZRJFAPSA-N 0 0 452.551 4.655 20 0 JJADRN Cc1nc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)nn1-c1ccc(F)cc1 ZINC001456957421 1066729699 /nfs/dbraw/zinc/72/96/99/1066729699.db2.gz FOQZKWOYBWMTAO-UHFFFAOYSA-N 0 0 450.436 4.841 20 0 JJADRN CC(=O)Nc1ncccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c21 ZINC001446656155 1066729843 /nfs/dbraw/zinc/72/98/43/1066729843.db2.gz YUQUVVZHYNIRPM-UHFFFAOYSA-N 0 0 455.396 4.823 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446658236 1066729869 /nfs/dbraw/zinc/72/98/69/1066729869.db2.gz KOLJRYBAEGVPKC-WEKPXBEKSA-N 0 0 457.517 4.873 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(C)Cc3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492640066 1066730117 /nfs/dbraw/zinc/73/01/17/1066730117.db2.gz WMHVSGZJGICMCP-XDHUDOTRSA-N 0 0 473.618 4.663 20 0 JJADRN C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(C2CCCCC2)no1 ZINC001456962575 1066730266 /nfs/dbraw/zinc/73/02/66/1066730266.db2.gz PTXXMYPUKHATSD-QGZVFWFLSA-N 0 0 453.564 4.582 20 0 JJADRN NC(=O)c1ccc(C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)nc1Cl ZINC001456962264 1066730352 /nfs/dbraw/zinc/73/03/52/1066730352.db2.gz DGWRFOQUKRPVNT-UHFFFAOYSA-N 0 0 450.800 4.651 20 0 JJADRN O=C(NCCn1c2ccccc2c2ccccc21)c1ccc(I)cc1F ZINC001446660041 1066730381 /nfs/dbraw/zinc/73/03/81/1066730381.db2.gz RYRVMXBVCOQTPF-UHFFFAOYSA-N 0 0 458.274 4.968 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492640117 1066730642 /nfs/dbraw/zinc/73/06/42/1066730642.db2.gz UHJSPWNYGDUHSH-HOCLYGCPSA-N 0 0 476.444 4.891 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(CSC(C)C)c2C)nc1I ZINC001456962771 1066730648 /nfs/dbraw/zinc/73/06/48/1066730648.db2.gz DVSPFPDIAADNGW-UHFFFAOYSA-N 0 0 456.349 4.897 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492640275 1066730735 /nfs/dbraw/zinc/73/07/35/1066730735.db2.gz YLMSANNPSAIUGQ-RXVVDRJESA-N 0 0 469.655 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)(c2ccccc2)CC1 ZINC001446674955 1066730930 /nfs/dbraw/zinc/73/09/30/1066730930.db2.gz WSRCFBKXIWOXCT-UHFFFAOYSA-N 0 0 452.580 4.759 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001492640437 1066731137 /nfs/dbraw/zinc/73/11/37/1066731137.db2.gz ZJZISXOWZRBVJU-HZPDHXFCSA-N 0 0 472.684 4.711 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CC[C@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)n1 ZINC001492640285 1066731156 /nfs/dbraw/zinc/73/11/56/1066731156.db2.gz YPPNJLMWIVZYNY-FYSMJZIKSA-N 0 0 474.074 4.982 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C(C)(C)C2)n1 ZINC001492640436 1066731202 /nfs/dbraw/zinc/73/12/02/1066731202.db2.gz ZJZISXOWZRBVJU-HOTGVXAUSA-N 0 0 472.684 4.711 20 0 JJADRN O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)NCc1cccc(=O)[nH]1 ZINC001446690177 1066731350 /nfs/dbraw/zinc/73/13/50/1066731350.db2.gz AKLURWVIJBQIIV-UHFFFAOYSA-N 0 0 450.336 4.947 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 ZINC001446690654 1066731410 /nfs/dbraw/zinc/73/14/10/1066731410.db2.gz IEXPQCALVYSVDQ-UHFFFAOYSA-N 0 0 454.886 4.526 20 0 JJADRN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001446697703 1066731773 /nfs/dbraw/zinc/73/17/73/1066731773.db2.gz BOZFBPGKCOCHDB-UHFFFAOYSA-N 0 0 456.369 4.717 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C1 ZINC001456968153 1066732224 /nfs/dbraw/zinc/73/22/24/1066732224.db2.gz BFUVSSICJRZSCL-YMPZKCBVSA-N 0 0 463.622 4.831 20 0 JJADRN CC(C)(C)Oc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001456969698 1066732241 /nfs/dbraw/zinc/73/22/41/1066732241.db2.gz FUGKCSOKFNNNMS-LJQANCHMSA-N 0 0 459.384 4.547 20 0 JJADRN COC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)CCCCCC1 ZINC001446711327 1066732913 /nfs/dbraw/zinc/73/29/13/1066732913.db2.gz MWGBUQNMTMPEKL-UHFFFAOYSA-N 0 0 452.960 4.524 20 0 JJADRN Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cnn1-c1ccc(Br)cc1 ZINC001456973416 1066733382 /nfs/dbraw/zinc/73/33/82/1066733382.db2.gz HUPBVGOSABHNOY-UHFFFAOYSA-N 0 0 450.340 4.606 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2CCC(CCCn3ccnc3)CC2)c2ccccc2)cc1 ZINC001446714893 1066733675 /nfs/dbraw/zinc/73/36/75/1066733675.db2.gz JTINPNBYOXWDPO-AREMUKBSSA-N 0 0 458.606 4.772 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641270 1066734256 /nfs/dbraw/zinc/73/42/56/1066734256.db2.gz KPRBACGNXKMVMP-OFVILXPXSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCC[C@H]4CCC(F)(F)C4)cc3[nH]c2=S)c1C ZINC001456977500 1066734537 /nfs/dbraw/zinc/73/45/37/1066734537.db2.gz QBPWMVJZXZLOBB-MRXNPFEDSA-N 0 0 457.546 4.847 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CCO2)n1 ZINC001492641522 1066734415 /nfs/dbraw/zinc/73/44/15/1066734415.db2.gz MAORUIDMACVIHN-XLIONFOSSA-N 0 0 473.618 4.816 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(=O)N(C)C)C2)n1 ZINC001492641356 1066734461 /nfs/dbraw/zinc/73/44/61/1066734461.db2.gz FFPRDJWOQYITIK-SFHVURJKSA-N 0 0 473.046 4.616 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001446731305 1066734845 /nfs/dbraw/zinc/73/48/45/1066734845.db2.gz HLFSHSZKFHWEQC-UHFFFAOYSA-N 0 0 458.923 4.531 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546085910 1066734863 /nfs/dbraw/zinc/73/48/63/1066734863.db2.gz VGFKOMPIUWTJPO-JWQCQUIFSA-N 0 0 478.584 4.883 20 0 JJADRN O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)NC1(C(F)(F)F)CCC1 ZINC001456981252 1066734975 /nfs/dbraw/zinc/73/49/75/1066734975.db2.gz FEDLNXXCAJMQHE-UHFFFAOYSA-N 0 0 453.511 4.898 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)cc3Cl)CCO2)n1 ZINC001492642229 1066735748 /nfs/dbraw/zinc/73/57/48/1066735748.db2.gz TULKOWVNCSDMAF-LJQANCHMSA-N 0 0 464.010 4.855 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CC(C)(C)C(F)(F)F)CCO2)n1 ZINC001492642435 1066736360 /nfs/dbraw/zinc/73/63/60/1066736360.db2.gz VTUXFVDZEXEMOP-OAHLLOKOSA-N 0 0 455.506 4.778 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1 ZINC001456990281 1066737569 /nfs/dbraw/zinc/73/75/69/1066737569.db2.gz FMBKHGKSAPWCTI-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCCC(C)C)C2)n1 ZINC001492642987 1066737838 /nfs/dbraw/zinc/73/78/38/1066737838.db2.gz WWWVLVSSCYQEON-FQEVSTJZSA-N 0 0 487.695 4.934 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)C2)cc1 ZINC001446778697 1066737938 /nfs/dbraw/zinc/73/79/38/1066737938.db2.gz GVNZFRJDTWOVME-DQEYMECFSA-N 0 0 451.611 4.763 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)CC2)cc1 ZINC001446782714 1066738527 /nfs/dbraw/zinc/73/85/27/1066738527.db2.gz JPKLPAMMBKPFRM-UHFFFAOYSA-N 0 0 454.636 4.655 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccon2)n1 ZINC001492643164 1066738860 /nfs/dbraw/zinc/73/88/60/1066738860.db2.gz AKJBUMPVASFCNG-UHFFFAOYSA-N 0 0 457.003 4.935 20 0 JJADRN Cc1csc(CCCCn2c(Cc3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC001492643455 1066739310 /nfs/dbraw/zinc/73/93/10/1066739310.db2.gz JMPKONHWWFEGBT-IBGZPJMESA-N 0 0 494.587 4.599 20 0 JJADRN O=C(NC[C@@H]1CCC=CCCC1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001457004587 1066739614 /nfs/dbraw/zinc/73/96/14/1066739614.db2.gz OEFVEDMBODNPCR-UZLBHIALSA-N 0 0 451.380 4.836 20 0 JJADRN Cc1csc(CCCCn2c(N3C[C@H](C)CC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492643604 1066739665 /nfs/dbraw/zinc/73/96/65/1066739665.db2.gz NXPNCWNHQGUBRJ-CLOONOSVSA-N 0 0 475.703 4.979 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)nnc2C(C)(C)C)n1 ZINC001492643589 1066739692 /nfs/dbraw/zinc/73/96/92/1066739692.db2.gz NJKFOKIFXVGSET-IBGZPJMESA-N 0 0 486.730 4.838 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc1OC ZINC001457006492 1066740061 /nfs/dbraw/zinc/74/00/61/1066740061.db2.gz CAXBJENXKYTZQT-GOSISDBHSA-N 0 0 456.542 4.788 20 0 JJADRN O=C(NCC1(c2ccccn2)CC1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001446790453 1066740509 /nfs/dbraw/zinc/74/05/09/1066740509.db2.gz DCSHPUYPSCIXAI-UHFFFAOYSA-N 0 0 450.336 4.558 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)CNC(=O)c2ccc(F)cc2F)cc1 ZINC001446791170 1066740526 /nfs/dbraw/zinc/74/05/26/1066740526.db2.gz ILLODEBCRRACRH-UHFFFAOYSA-N 0 0 452.501 4.712 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC001446790321 1066740687 /nfs/dbraw/zinc/74/06/87/1066740687.db2.gz ORKPOVMCHKHIKK-YADARESESA-N 0 0 458.624 4.729 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)cc1)OCC(F)(F)F ZINC001457009578 1066741049 /nfs/dbraw/zinc/74/10/49/1066741049.db2.gz BXKUONOMUIHRDK-UHFFFAOYSA-N 0 0 457.206 4.689 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(F)c(Cl)c2)n1 ZINC001492644306 1066741622 /nfs/dbraw/zinc/74/16/22/1066741622.db2.gz ZTTXEGNGRBGXBW-UHFFFAOYSA-N 0 0 471.993 4.952 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NC1(c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC001457012490 1066741636 /nfs/dbraw/zinc/74/16/36/1066741636.db2.gz GDBHNUWXVWFKBS-JOCHJYFZSA-N 0 0 456.558 4.994 20 0 JJADRN COc1ccc([C@@H](NC(=O)C/C=C\c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011157 1066741750 /nfs/dbraw/zinc/74/17/50/1066741750.db2.gz DOTRMGSQSFYXAG-GZWUMCHYSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccn3C)nnc2N(C)C[C@H](C)c2nccs2)n1 ZINC001492644218 1066741660 /nfs/dbraw/zinc/74/16/60/1066741660.db2.gz IEKBENQQGLKSDO-INIZCTEOSA-N 0 0 455.657 4.768 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492644333 1066741685 /nfs/dbraw/zinc/74/16/85/1066741685.db2.gz KOJJKEHCKKSSSI-SFHVURJKSA-N 0 0 462.664 4.635 20 0 JJADRN CCc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1CC ZINC001457013096 1066742263 /nfs/dbraw/zinc/74/22/63/1066742263.db2.gz IBGBVHLACDYWMG-VWLOTQADSA-N 0 0 451.588 4.743 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(=O)NC(C)(C)C)n1 ZINC001492644419 1066742226 /nfs/dbraw/zinc/74/22/26/1066742226.db2.gz NRQNTPVVTALIOQ-UHFFFAOYSA-N 0 0 491.665 4.632 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492644344 1066742293 /nfs/dbraw/zinc/74/22/93/1066742293.db2.gz KVPFPZPVIYVPBD-FQEVSTJZSA-N 0 0 482.654 4.836 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001457013977 1066742818 /nfs/dbraw/zinc/74/28/18/1066742818.db2.gz QSEOJBCOESXWNL-DEOSSOPVSA-N 0 0 456.652 4.582 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001492644667 1066743354 /nfs/dbraw/zinc/74/33/54/1066743354.db2.gz WDUAUYZIGSUIGE-SFHVURJKSA-N 0 0 485.658 4.507 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)n1 ZINC001492644655 1066743470 /nfs/dbraw/zinc/74/34/70/1066743470.db2.gz VTTAUKOTWHFVDS-UHFFFAOYSA-N 0 0 496.040 4.856 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1ccc(OC)cc1Br ZINC001446810145 1066743532 /nfs/dbraw/zinc/74/35/32/1066743532.db2.gz BTBXTKMASGALDZ-IBFADTKTSA-N 0 0 467.404 4.694 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)n1 ZINC001492644730 1066743849 /nfs/dbraw/zinc/74/38/49/1066743849.db2.gz XWRMVDQFRXQPQL-NRFANRHFSA-N 0 0 480.682 4.782 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)c2ccccc2Cl)c(OC)c1 ZINC001457016346 1066743795 /nfs/dbraw/zinc/74/37/95/1066743795.db2.gz MFMHIUVXUSOZMT-IBGZPJMESA-N 0 0 454.939 4.723 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492644745 1066744005 /nfs/dbraw/zinc/74/40/05/1066744005.db2.gz YGXPNACOZHJCFB-NVQXNPDNSA-N 0 0 483.682 4.593 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001457015949 1066744069 /nfs/dbraw/zinc/74/40/69/1066744069.db2.gz FETACQPQSDDDTE-CYBMUJFWSA-N 0 0 458.287 4.642 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2c(OC)cccc2OC)c2ccccc2Cl)c(OC)c1 ZINC001457019087 1066744384 /nfs/dbraw/zinc/74/43/84/1066744384.db2.gz QPHWHHCZWFZFBU-RUZDIDTESA-N 0 0 455.938 4.823 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3CCNC(=O)OC(C)(C)C)ccc21 ZINC001446815509 1066744540 /nfs/dbraw/zinc/74/45/40/1066744540.db2.gz UBBJXYJFNZOEGA-UHFFFAOYSA-N 0 0 451.567 4.695 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001492645145 1066744801 /nfs/dbraw/zinc/74/48/01/1066744801.db2.gz MGUIQDDFSFIFQN-KRWDZBQOSA-N 0 0 494.658 4.777 20 0 JJADRN Cc1csc(CCCCn2c(N3CCS[C@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492645118 1066744921 /nfs/dbraw/zinc/74/49/21/1066744921.db2.gz LHOTULVSVOJCIF-GBXCKJPGSA-N 0 0 493.743 4.684 20 0 JJADRN CN1C[C@@H](C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc2C1=O ZINC001457019828 1066744835 /nfs/dbraw/zinc/74/48/35/1066744835.db2.gz XTJBKSWAQASSAN-JOCHJYFZSA-N 0 0 454.448 4.983 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC001457019507 1066745084 /nfs/dbraw/zinc/74/50/84/1066745084.db2.gz MTDRPKCLOOPBHH-PMACEKPBSA-N 0 0 451.588 4.992 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001492645248 1066745449 /nfs/dbraw/zinc/74/54/49/1066745449.db2.gz PJWBXOLJOGLYRU-XIFFEERXSA-N 0 0 487.695 4.701 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001492645239 1066745470 /nfs/dbraw/zinc/74/54/70/1066745470.db2.gz OXFAYZGJVNXVMK-WIYYLYMNSA-N 0 0 482.654 4.773 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)CC1CCCC1 ZINC001457019959 1066745468 /nfs/dbraw/zinc/74/54/68/1066745468.db2.gz XBLAFYAUFZTRNF-SFTDATJTSA-N 0 0 452.636 4.583 20 0 JJADRN CCC(CC)(CNC(=O)c1ccc(Br)cc1I)SC ZINC001457021384 1066745565 /nfs/dbraw/zinc/74/55/65/1066745565.db2.gz SIKCPHNEGMSHSO-UHFFFAOYSA-N 0 0 456.187 4.705 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H](C)C2)c1 ZINC001492645229 1066745535 /nfs/dbraw/zinc/74/55/35/1066745535.db2.gz OQYYNCYTYQTFGH-MJGOQNOKSA-N 0 0 488.057 4.683 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)n([C@@H](C)CC)n3)c2)cc1 ZINC001446826506 1066745767 /nfs/dbraw/zinc/74/57/67/1066745767.db2.gz ORBNTADXHKCYBQ-INIZCTEOSA-N 0 0 456.568 4.614 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@H](C)Oc1ccccc1OC ZINC001457022627 1066746079 /nfs/dbraw/zinc/74/60/79/1066746079.db2.gz AXJPGRVDXZGALE-AWEZNQCLSA-N 0 0 459.340 4.872 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC001457022630 1066746098 /nfs/dbraw/zinc/74/60/98/1066746098.db2.gz AXJPGRVDXZGALE-CQSZACIVSA-N 0 0 459.340 4.872 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545989962 1066746221 /nfs/dbraw/zinc/74/62/21/1066746221.db2.gz MZWAVTIQMGBOCX-SCTDSRPQSA-N 0 0 485.620 4.545 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001457024168 1066746455 /nfs/dbraw/zinc/74/64/55/1066746455.db2.gz YHAYJUAAWRWTCV-RDJZCZTQSA-N 0 0 457.958 4.917 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2ncn(C)n2)c1 ZINC001492645547 1066746487 /nfs/dbraw/zinc/74/64/87/1066746487.db2.gz ZSQKDLUBSCQCKP-KRWDZBQOSA-N 0 0 486.045 4.871 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457024005 1066746563 /nfs/dbraw/zinc/74/65/63/1066746563.db2.gz COYKZNRRYIUTOH-HNNXBMFYSA-N 0 0 451.369 4.712 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1SCc1cscn1)C2 ZINC001457025595 1066746945 /nfs/dbraw/zinc/74/69/45/1066746945.db2.gz KCRSZHPYZRAEAO-JZXOWHBKSA-N 0 0 459.637 4.953 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001446845131 1066747304 /nfs/dbraw/zinc/74/73/04/1066747304.db2.gz IYKDDAFBDWAVCY-UHFFFAOYSA-N 0 0 458.440 4.848 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)c1 ZINC001492645840 1066747413 /nfs/dbraw/zinc/74/74/13/1066747413.db2.gz LBRORDHHKNSCFC-HSZRJFAPSA-N 0 0 462.566 4.652 20 0 JJADRN Cc1cc([C@H](NC(=O)Cn2cccc(C(F)(F)F)c2=O)c2ccccc2Cl)ccc1F ZINC001457028491 1066747856 /nfs/dbraw/zinc/74/78/56/1066747856.db2.gz RUAVUPKFYOIKFM-FQEVSTJZSA-N 0 0 452.835 4.874 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446847722 1066747983 /nfs/dbraw/zinc/74/79/83/1066747983.db2.gz VXUGKMXOFQPPSC-YADHBBJMSA-N 0 0 454.615 4.608 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(C)C)CC2)c1 ZINC001492645964 1066747942 /nfs/dbraw/zinc/74/79/42/1066747942.db2.gz PYZCNMMGIAVUAU-UHFFFAOYSA-N 0 0 458.653 4.791 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492645972 1066747988 /nfs/dbraw/zinc/74/79/88/1066747988.db2.gz QDTZTZUSTCEBAJ-QZTJIDSGSA-N 0 0 488.679 4.559 20 0 JJADRN O=C(c1nc(Br)sc1Cl)N1CCc2cc(Br)cc(F)c2C1 ZINC001446857060 1066748817 /nfs/dbraw/zinc/74/88/17/1066748817.db2.gz NMEFKTRBEUOPHH-UHFFFAOYSA-N 0 0 454.546 4.659 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCSC2)c1 ZINC001492646181 1066748851 /nfs/dbraw/zinc/74/88/51/1066748851.db2.gz YRJNIQAOWDBCLQ-CYBMUJFWSA-N 0 0 452.447 4.795 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCCc2cnn(C)n2)c1 ZINC001492646174 1066748869 /nfs/dbraw/zinc/74/88/69/1066748869.db2.gz YKIXUAOOTRXTDY-UHFFFAOYSA-N 0 0 492.472 4.537 20 0 JJADRN O=C(NC[C@@H]1SCCc2ccccc21)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001457032123 1066748936 /nfs/dbraw/zinc/74/89/36/1066748936.db2.gz VGOSMMPEVDIFOJ-SFHVURJKSA-N 0 0 452.889 4.700 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@](C)(O)C2CC2)c1 ZINC001492646190 1066749524 /nfs/dbraw/zinc/74/95/24/1066749524.db2.gz YVFXXSDMISMOHD-NRFANRHFSA-N 0 0 461.429 4.875 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC2(C)CCCCCC2)C[C@H](C)O1 ZINC001446867819 1066749894 /nfs/dbraw/zinc/74/98/94/1066749894.db2.gz LSCJFYHAOWCIOG-KDURUIRLSA-N 0 0 456.656 4.812 20 0 JJADRN C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC2(C)CCCCCC2)C[C@H](C)O1 ZINC001446867826 1066749983 /nfs/dbraw/zinc/74/99/83/1066749983.db2.gz LSCJFYHAOWCIOG-OALUTQOASA-N 0 0 456.656 4.812 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001457037994 1066749970 /nfs/dbraw/zinc/74/99/70/1066749970.db2.gz WVMKEPKQOVFSAJ-QWDLEPIUSA-N 0 0 456.671 4.744 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC001457037706 1066750001 /nfs/dbraw/zinc/75/00/01/1066750001.db2.gz WAXCDKWOHLBMLI-IBGZPJMESA-N 0 0 450.539 4.522 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)c1 ZINC001492646892 1066750475 /nfs/dbraw/zinc/75/04/75/1066750475.db2.gz VEOHBQLZAFSZHA-IBGZPJMESA-N 0 0 477.675 4.562 20 0 JJADRN CCc1cnccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001446873244 1066750528 /nfs/dbraw/zinc/75/05/28/1066750528.db2.gz WQSYGBPABZJAGC-MRXNPFEDSA-N 0 0 457.983 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001446873605 1066750958 /nfs/dbraw/zinc/75/09/58/1066750958.db2.gz OTWJXQZFPKVLII-CNNODRBYSA-N 0 0 456.583 4.534 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001446873610 1066750989 /nfs/dbraw/zinc/75/09/89/1066750989.db2.gz OTWJXQZFPKVLII-WOIUINJBSA-N 0 0 456.583 4.534 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(CC)CC ZINC001457047087 1066751132 /nfs/dbraw/zinc/75/11/32/1066751132.db2.gz BAABPNPIZSOLDO-QWHCGFSZSA-N 0 0 453.723 4.797 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)cc3c[nH]nc32)c1 ZINC001457045226 1066751191 /nfs/dbraw/zinc/75/11/91/1066751191.db2.gz COEVOGGJLQFCDB-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN COCCn1ccc2ccc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc21 ZINC001446875094 1066751314 /nfs/dbraw/zinc/75/13/14/1066751314.db2.gz UDHNMKZBVDVWRU-UHFFFAOYSA-N 0 0 455.580 4.895 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC001446876848 1066751349 /nfs/dbraw/zinc/75/13/49/1066751349.db2.gz XCUFWJRRRFICEA-OALUTQOASA-N 0 0 459.633 4.520 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC001446876858 1066751365 /nfs/dbraw/zinc/75/13/65/1066751365.db2.gz XCUFWJRRRFICEA-RTBURBONSA-N 0 0 459.633 4.520 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001446876738 1066751380 /nfs/dbraw/zinc/75/13/80/1066751380.db2.gz WSVBYTMQSWRDMY-QVKFZJNVSA-N 0 0 455.356 4.797 20 0 JJADRN CCSc1ccc(CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457052886 1066751507 /nfs/dbraw/zinc/75/15/07/1066751507.db2.gz CJEHVNKWJKBAGU-XMMPIXPASA-N 0 0 457.592 4.790 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)c1 ZINC001492647651 1066751877 /nfs/dbraw/zinc/75/18/77/1066751877.db2.gz RZRHFUKUMSEYBM-UHFFFAOYSA-N 0 0 479.576 4.801 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001446879166 1066752293 /nfs/dbraw/zinc/75/22/93/1066752293.db2.gz ISQHCOVVDIVUPF-UHFFFAOYSA-N 0 0 452.979 4.611 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001446878596 1066752338 /nfs/dbraw/zinc/75/23/38/1066752338.db2.gz KEUFDUVJPGWBOY-LBPRGKRZSA-N 0 0 451.741 4.898 20 0 JJADRN Cc1cc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)nn1-c1ccc(Cl)cc1Cl ZINC001446878663 1066752416 /nfs/dbraw/zinc/75/24/16/1066752416.db2.gz KUXKISXMOCXTAZ-UHFFFAOYSA-N 0 0 459.333 4.996 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCCCCC2)c1 ZINC001492647848 1066752508 /nfs/dbraw/zinc/75/25/08/1066752508.db2.gz YHVKSZUAKJVABU-UHFFFAOYSA-N 0 0 487.620 4.946 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cn2)nnc1-c1ccccc1 ZINC001457060911 1066752683 /nfs/dbraw/zinc/75/26/83/1066752683.db2.gz VGDLAPAMYIJHFL-DYESRHJHSA-N 0 0 451.596 4.776 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC001446881372 1066752790 /nfs/dbraw/zinc/75/27/90/1066752790.db2.gz WMWNMGUECYFCFJ-UHFFFAOYSA-N 0 0 452.511 4.557 20 0 JJADRN COc1ccc(CN(C(=O)c2[nH]nc(C)c2Br)[C@H]2CCCC[C@H]2C)cc1OC ZINC001446882091 1066752824 /nfs/dbraw/zinc/75/28/24/1066752824.db2.gz RMEIHJUOILDNMY-CJNGLKHVSA-N 0 0 450.377 4.719 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457061684 1066753086 /nfs/dbraw/zinc/75/30/86/1066753086.db2.gz CGHKCMXNWFNICL-LOSJGSFVSA-N 0 0 451.588 4.770 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccccc1F ZINC001545990435 1066753251 /nfs/dbraw/zinc/75/32/51/1066753251.db2.gz SGNBSUCRJXLTFR-LSDHHAIUSA-N 0 0 499.534 4.890 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cn2)C[C@@H](C)O1 ZINC001446884771 1066753343 /nfs/dbraw/zinc/75/33/43/1066753343.db2.gz XHFCXAAAHDEMGF-HUUCEWRRSA-N 0 0 454.423 4.665 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2CCCn2ccnc2C)c1 ZINC001492648198 1066753436 /nfs/dbraw/zinc/75/34/36/1066753436.db2.gz MRGVPNANCRMWEO-UHFFFAOYSA-N 0 0 454.575 4.598 20 0 JJADRN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)c(F)c2)c1 ZINC001492648271 1066753571 /nfs/dbraw/zinc/75/35/71/1066753571.db2.gz OUMIDEVOWVKALU-UHFFFAOYSA-N 0 0 487.601 4.797 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2ccccc2OC(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064933 1066753492 /nfs/dbraw/zinc/75/34/92/1066753492.db2.gz FDWYSXGUZYJULO-QFIPXVFZSA-N 0 0 459.514 4.773 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001446886524 1066753854 /nfs/dbraw/zinc/75/38/54/1066753854.db2.gz ZGFIKMOFLHVUNC-UHFFFAOYSA-N 0 0 457.434 4.611 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001492648356 1066753883 /nfs/dbraw/zinc/75/38/83/1066753883.db2.gz RNWZBIXKYSLSBK-GXCZYJTRSA-N 0 0 466.717 4.750 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)Cc3ccncc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457067752 1066754073 /nfs/dbraw/zinc/75/40/73/1066754073.db2.gz JJEPJWISTCSOPW-ZBKJKTKLSA-N 0 0 457.574 4.630 20 0 JJADRN CN(C(=O)Cc1ccc(Cl)cc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457066976 1066754126 /nfs/dbraw/zinc/75/41/26/1066754126.db2.gz RWVGZWMHOVWRRV-UHFFFAOYSA-N 0 0 459.812 4.939 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCc2ccccc2F)c1 ZINC001492648428 1066754467 /nfs/dbraw/zinc/75/44/67/1066754467.db2.gz VOUMBFWRBABRES-UHFFFAOYSA-N 0 0 452.603 4.918 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001492648434 1066754528 /nfs/dbraw/zinc/75/45/28/1066754528.db2.gz VULXOKQOFFDWPX-XMMPIXPASA-N 0 0 458.603 4.944 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(C(F)(F)F)s2)c2ccc(F)cc2)c1 ZINC001457070729 1066754678 /nfs/dbraw/zinc/75/46/78/1066754678.db2.gz YWCJWIHJRRENAX-GOSISDBHSA-N 0 0 457.470 4.829 20 0 JJADRN CCc1ccc([C@@H](NC(=O)/C=C\c2ccnc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457068091 1066754717 /nfs/dbraw/zinc/75/47/17/1066754717.db2.gz FZGHHAUKSKJXFU-XCJSZKDFSA-N 0 0 454.979 4.620 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)c1 ZINC001492647700 1066755108 /nfs/dbraw/zinc/75/51/08/1066755108.db2.gz UOGWFHVZZABMEU-UHFFFAOYSA-N 0 0 460.047 4.691 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCN1C(=O)OC(C)(C)C ZINC001446906454 1066755499 /nfs/dbraw/zinc/75/54/99/1066755499.db2.gz VYMIYOIFAAZHEU-NWDGAFQWSA-N 0 0 451.778 4.882 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCn2cccn2)n1 ZINC001492648818 1066755615 /nfs/dbraw/zinc/75/56/15/1066755615.db2.gz JDCAGKSGIJGRGE-GOSISDBHSA-N 0 0 486.045 4.834 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCCc2ccccn2)n1 ZINC001492649162 1066755867 /nfs/dbraw/zinc/75/58/67/1066755867.db2.gz STMSSSPIVAJTGG-UHFFFAOYSA-N 0 0 483.439 4.985 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545990608 1066755940 /nfs/dbraw/zinc/75/59/40/1066755940.db2.gz VKYNMLKIIKLHIL-XJUOHMSHSA-N 0 0 483.657 4.717 20 0 JJADRN Cc1ccc([C@@H](NC(=O)COc2ccc3ccccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457076921 1066756132 /nfs/dbraw/zinc/75/61/32/1066756132.db2.gz VGKBAIJRNAGHSM-HHHXNRCGSA-N 0 0 459.567 4.836 20 0 JJADRN C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446915545 1066756349 /nfs/dbraw/zinc/75/63/49/1066756349.db2.gz ZPGMKHJMKXDARE-CYBMUJFWSA-N 0 0 455.992 4.945 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC001446912119 1066756513 /nfs/dbraw/zinc/75/65/13/1066756513.db2.gz HNDPOBQBNZTVQA-XJKSGUPXSA-N 0 0 456.008 4.771 20 0 JJADRN Cc1c(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccn1Cc1ccccc1 ZINC001457078028 1066756709 /nfs/dbraw/zinc/75/67/09/1066756709.db2.gz SFIQWDXEOAGGBN-SANMLTNESA-N 0 0 458.583 4.768 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 ZINC001457078914 1066756737 /nfs/dbraw/zinc/75/67/37/1066756737.db2.gz YKBKASUXDZAXPF-UHFFFAOYSA-N 0 0 450.926 4.950 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NCc1cc(OCC(F)F)ccn1)OCC3 ZINC001446917328 1066756943 /nfs/dbraw/zinc/75/69/43/1066756943.db2.gz IECMWAMWIRAFRB-VWLOTQADSA-N 0 0 457.521 4.654 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)c2ccccc2Nc2cccc(OC)c2)[nH]n1 ZINC001446923989 1066757099 /nfs/dbraw/zinc/75/70/99/1066757099.db2.gz FCNBRJXLZRNHBY-UHFFFAOYSA-N 0 0 456.502 4.546 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC001492649733 1066757105 /nfs/dbraw/zinc/75/71/05/1066757105.db2.gz NGJUMISOJYPJPE-NRFANRHFSA-N 0 0 465.545 4.596 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1nc2cc(C)c(F)cc2s1)c1ccc(Br)cc1 ZINC001457081598 1066757277 /nfs/dbraw/zinc/75/72/77/1066757277.db2.gz QMZOPAMCTIYPJW-HNNXBMFYSA-N 0 0 450.333 4.712 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2cc(C)on2)n1 ZINC001492649834 1066757463 /nfs/dbraw/zinc/75/74/63/1066757463.db2.gz QFUPRRQMEKFPGK-UHFFFAOYSA-N 0 0 477.363 4.593 20 0 JJADRN Cc1csc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1 ZINC001492650143 1066757570 /nfs/dbraw/zinc/75/75/70/1066757570.db2.gz BMTXLXLCEVKHLE-HSZRJFAPSA-N 0 0 460.047 4.517 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC001546086886 1066758218 /nfs/dbraw/zinc/75/82/18/1066758218.db2.gz AOTCPDREQRMTAM-ULYRPOKDSA-N 0 0 453.414 4.808 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCCCO2)n1 ZINC001492650996 1066758400 /nfs/dbraw/zinc/75/84/00/1066758400.db2.gz AANKXAILYRLXDS-OAQYLSRUSA-N 0 0 469.655 4.973 20 0 JJADRN Cc1csc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492651015 1066758460 /nfs/dbraw/zinc/75/84/60/1066758460.db2.gz AUFLAQMNEFQIHX-CQSZACIVSA-N 0 0 455.481 4.588 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@H](C(C)C)C2)n1 ZINC001492651030 1066758504 /nfs/dbraw/zinc/75/85/04/1066758504.db2.gz BNJYVDVOHSYZGL-FQEVSTJZSA-N 0 0 457.669 4.865 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccccc2NCc2ccccc2C)C1 ZINC001446961712 1066758618 /nfs/dbraw/zinc/75/86/18/1066758618.db2.gz LADKAQRMOMVLFS-RUZDIDTESA-N 0 0 456.546 4.744 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492651442 1066758741 /nfs/dbraw/zinc/75/87/41/1066758741.db2.gz RCXHRZRQODMBBU-UHFFFAOYSA-N 0 0 480.407 4.617 20 0 JJADRN Cc1csc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C2CCCCC2)n1 ZINC001492651627 1066758819 /nfs/dbraw/zinc/75/88/19/1066758819.db2.gz XFYRVESLKOCGOT-CALCHBBNSA-N 0 0 460.648 4.631 20 0 JJADRN Cc1csc(Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)n1 ZINC001492651700 1066759383 /nfs/dbraw/zinc/75/93/83/1066759383.db2.gz ZSGQUOHAUBFSTI-QGZVFWFLSA-N 0 0 453.637 4.907 20 0 JJADRN Cc1csc(Cn2c(N3CCO[C@H](c4ccccc4Br)C3)nnc2C(C)(C)C)n1 ZINC001492651865 1066759402 /nfs/dbraw/zinc/75/94/02/1066759402.db2.gz GLUSOTKVWUNYNG-KRWDZBQOSA-N 0 0 476.444 4.729 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3sc(-c4ccc(OC)cc4)nc3C)ccc2NC1=O ZINC001457092246 1066759670 /nfs/dbraw/zinc/75/96/70/1066759670.db2.gz MNWLKQNHEKCMRM-ORAYPTAESA-N 0 0 451.548 4.728 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)Cc3cccc(Br)c3)C2)cc1 ZINC001457093530 1066759772 /nfs/dbraw/zinc/75/97/72/1066759772.db2.gz OFFVEMJHNTXTBV-HXUWFJFHSA-N 0 0 457.412 4.747 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492652322 1066759832 /nfs/dbraw/zinc/75/98/32/1066759832.db2.gz CMHQDMVGSIUISU-INIZCTEOSA-N 0 0 483.535 4.660 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)ccc2NC1=O ZINC001457094264 1066760312 /nfs/dbraw/zinc/76/03/12/1066760312.db2.gz PDECFHLVAJNXDP-XIKOKIGWSA-N 0 0 459.424 4.961 20 0 JJADRN C[S@@](=O)(=NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC001457095072 1066760331 /nfs/dbraw/zinc/76/03/31/1066760331.db2.gz CGJUQIVNVFVCNX-PPHZAIPVSA-N 0 0 453.377 4.626 20 0 JJADRN COCCN(C(=O)c1cc(Br)cc(OC(C)C)c1)c1ccc(OC)c(OC)c1 ZINC001457096082 1066760728 /nfs/dbraw/zinc/76/07/28/1066760728.db2.gz FULSHUAOCAMVNX-UHFFFAOYSA-N 0 0 452.345 4.547 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC001457097132 1066760855 /nfs/dbraw/zinc/76/08/55/1066760855.db2.gz IMONTNQANCIIDS-UGDMGKLASA-N 0 0 454.979 4.755 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CCc4ccccc4)n3CCCC(C)(C)C)CC2)n1 ZINC001492652772 1066760808 /nfs/dbraw/zinc/76/08/08/1066760808.db2.gz LVRRRCBAICRIQU-UHFFFAOYSA-N 0 0 452.672 4.981 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC001457097143 1066760923 /nfs/dbraw/zinc/76/09/23/1066760923.db2.gz IMONTNQANCIIDS-UVDDSOTQSA-N 0 0 454.979 4.755 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3cccnc3)C(C)C)CC2)n1 ZINC001492652743 1066760907 /nfs/dbraw/zinc/76/09/07/1066760907.db2.gz LAWKMUYIFDCKNT-NRFANRHFSA-N 0 0 467.687 4.793 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492652886 1066761310 /nfs/dbraw/zinc/76/13/10/1066761310.db2.gz QAJGFGWFQUORES-RBUKOAKNSA-N 0 0 485.629 4.669 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001492653221 1066761443 /nfs/dbraw/zinc/76/14/43/1066761443.db2.gz BIRJCTAOCDELRL-CVCYQNGTSA-N 0 0 465.648 4.617 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C12CCCCC2 ZINC001457098634 1066761429 /nfs/dbraw/zinc/76/14/29/1066761429.db2.gz AJUFWJADYBDPMK-RPWUZVMVSA-N 0 0 455.643 4.537 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3c2CCCC3)cc1 ZINC001446982431 1066761432 /nfs/dbraw/zinc/76/14/32/1066761432.db2.gz CCXPQAUTPOLERE-OALUTQOASA-N 0 0 452.599 4.529 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c3c2CCCC3)cc1 ZINC001446982437 1066761514 /nfs/dbraw/zinc/76/15/14/1066761514.db2.gz CCXPQAUTPOLERE-RTBURBONSA-N 0 0 452.599 4.529 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001457100107 1066761918 /nfs/dbraw/zinc/76/19/18/1066761918.db2.gz WPPWRFCQUBNZNJ-PUZFROQSSA-N 0 0 459.384 4.591 20 0 JJADRN CCc1cnc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)s1 ZINC001457100499 1066762005 /nfs/dbraw/zinc/76/20/05/1066762005.db2.gz UOZGTSMLRQWLJQ-KRWDZBQOSA-N 0 0 457.518 4.649 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001446984594 1066761962 /nfs/dbraw/zinc/76/19/62/1066761962.db2.gz GJKMWSYERUFZKE-HZPDHXFCSA-N 0 0 458.584 4.862 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C2=O ZINC001446987318 1066761995 /nfs/dbraw/zinc/76/19/95/1066761995.db2.gz LSBASYNVZUSUGD-FYINFDKHSA-N 0 0 458.480 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)c2ccccc21 ZINC001457101629 1066762243 /nfs/dbraw/zinc/76/22/43/1066762243.db2.gz JKJSOABCMJTAOD-CRAIPNDOSA-N 0 0 458.505 4.704 20 0 JJADRN Cc1cscc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001492653931 1066762918 /nfs/dbraw/zinc/76/29/18/1066762918.db2.gz ISGNHUQCRLHJBN-FQEVSTJZSA-N 0 0 458.031 4.758 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001492653857 1066762925 /nfs/dbraw/zinc/76/29/25/1066762925.db2.gz PCFLULQBRLDNNJ-LJQANCHMSA-N 0 0 483.657 4.803 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001446990173 1066762965 /nfs/dbraw/zinc/76/29/65/1066762965.db2.gz XMYIIAINFTZCPC-FQEVSTJZSA-N 0 0 458.389 4.809 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446990229 1066763099 /nfs/dbraw/zinc/76/30/99/1066763099.db2.gz LFRMOBLHCLQNQR-JKSUJKDBSA-N 0 0 458.580 4.656 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3nc4c(o3)CCCC4)ccc2C)c(C)c1 ZINC001457102440 1066763006 /nfs/dbraw/zinc/76/30/06/1066763006.db2.gz KBLWYLCEHPFQIO-UHFFFAOYSA-N 0 0 453.564 4.840 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001492654066 1066763360 /nfs/dbraw/zinc/76/33/60/1066763360.db2.gz LKTLGWDRSBIKPH-UHFFFAOYSA-N 0 0 465.667 4.965 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001492654289 1066763415 /nfs/dbraw/zinc/76/34/15/1066763415.db2.gz QZILWSJFHZPZLF-SFHVURJKSA-N 0 0 455.603 4.634 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC001457104534 1066763502 /nfs/dbraw/zinc/76/35/02/1066763502.db2.gz VVXBGDSLMAOOPO-VUCTXSBTSA-N 0 0 451.386 4.515 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC001457104502 1066763553 /nfs/dbraw/zinc/76/35/53/1066763553.db2.gz VVXBGDSLMAOOPO-CSMYWGQOSA-N 0 0 451.386 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446991593 1066763429 /nfs/dbraw/zinc/76/34/29/1066763429.db2.gz XGRJROBCJAEYMR-PMACEKPBSA-N 0 0 459.635 4.738 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC001446991565 1066763475 /nfs/dbraw/zinc/76/34/75/1066763475.db2.gz OHYNEFXCHZDRMD-RTBURBONSA-N 0 0 454.615 4.940 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(C)(C)C1 ZINC001492654424 1066763751 /nfs/dbraw/zinc/76/37/51/1066763751.db2.gz UCQYNMLPGOIYJG-UHFFFAOYSA-N 0 0 466.474 4.796 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001492654548 1066763887 /nfs/dbraw/zinc/76/38/87/1066763887.db2.gz WPNCGSTWCWAFAU-AWEZNQCLSA-N 0 0 483.947 4.522 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(F)F)CCO1 ZINC001546087328 1066763870 /nfs/dbraw/zinc/76/38/70/1066763870.db2.gz KGNWRVSMQIQUQA-JOCHJYFZSA-N 0 0 463.916 4.649 20 0 JJADRN CSc1ccccc1N(C)C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC001457108275 1066763891 /nfs/dbraw/zinc/76/38/91/1066763891.db2.gz AHSGBOKVCBXCCN-UHFFFAOYSA-N 0 0 454.617 4.965 20 0 JJADRN O=C(Nc1ncc(-c2cccc(F)c2)s1)c1ccnc(Cl)c1I ZINC001457106921 1066763903 /nfs/dbraw/zinc/76/39/03/1066763903.db2.gz DUAAKYFWELDAKD-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001457107458 1066763989 /nfs/dbraw/zinc/76/39/89/1066763989.db2.gz GAEAFFWZYXEYFM-DLBZAZTESA-N 0 0 453.029 4.521 20 0 JJADRN CC(C)(C(=O)N1CCO[C@H](Cc2ccccc2)C1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001446996886 1066764053 /nfs/dbraw/zinc/76/40/53/1066764053.db2.gz OBPXISRNLNOBIH-KAYWLYCHSA-N 0 0 459.586 4.795 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446997065 1066764069 /nfs/dbraw/zinc/76/40/69/1066764069.db2.gz VFYRHWGYJPAOFS-UONOGXRCSA-N 0 0 453.370 4.649 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991466 1066764078 /nfs/dbraw/zinc/76/40/78/1066764078.db2.gz OWMCAXSYZMIYBF-UZUQRXQVSA-N 0 0 451.640 4.627 20 0 JJADRN NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2cccc(Oc3ccccc3)n2)cc1 ZINC001457110583 1066764392 /nfs/dbraw/zinc/76/43/92/1066764392.db2.gz UMFUCPLGTWHQSN-UHFFFAOYSA-N 0 0 456.527 4.912 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)[C@@H]2CC[C@H](SC)C2)cc1OC ZINC001457109482 1066764446 /nfs/dbraw/zinc/76/44/46/1066764446.db2.gz JQYVWWMEJSBZMN-UXHICEINSA-N 0 0 451.592 4.913 20 0 JJADRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1[nH]nc(C2CC2)c1Br ZINC001447000376 1066764556 /nfs/dbraw/zinc/76/45/56/1066764556.db2.gz ACSMXNCPAIUFFD-ZDUSSCGKSA-N 0 0 454.193 4.684 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001457112476 1066764796 /nfs/dbraw/zinc/76/47/96/1066764796.db2.gz HKEUBYGXXVNTMP-PMERELPUSA-N 0 0 452.523 4.762 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CCNC(=O)[C@H]1c1cccs1 ZINC001457112310 1066764835 /nfs/dbraw/zinc/76/48/35/1066764835.db2.gz JUVDRDWLELHNLO-CQSZACIVSA-N 0 0 455.786 4.692 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001457112315 1066764876 /nfs/dbraw/zinc/76/48/76/1066764876.db2.gz JWKQIWSATVJIOP-LLVKDONJSA-N 0 0 452.761 4.951 20 0 JJADRN Cc1cc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1 ZINC001447009277 1066765030 /nfs/dbraw/zinc/76/50/30/1066765030.db2.gz HFCYLSQBVBADOX-UHFFFAOYSA-N 0 0 451.527 4.536 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C)CC2)s1 ZINC001492655166 1066765232 /nfs/dbraw/zinc/76/52/32/1066765232.db2.gz LZZKKPPTWLXIRJ-UHFFFAOYSA-N 0 0 463.449 4.978 20 0 JJADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447011613 1066765544 /nfs/dbraw/zinc/76/55/44/1066765544.db2.gz LJESZLPKYAVWSZ-YLJYHZDGSA-N 0 0 454.514 4.508 20 0 JJADRN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3nc(C(C)(C)C)sc3c1)C2=O ZINC001457115485 1066765874 /nfs/dbraw/zinc/76/58/74/1066765874.db2.gz SYQDVDWZPKNYTA-BSEYFRJRSA-N 0 0 456.612 4.669 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001546087376 1066765885 /nfs/dbraw/zinc/76/58/85/1066765885.db2.gz KWMQJHBVKQTEAX-JDRJUVJTSA-N 0 0 472.630 4.563 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2Cc2sccc2Br)CCO1 ZINC001546087368 1066765970 /nfs/dbraw/zinc/76/59/70/1066765970.db2.gz KVZHWYYUPDPHHX-NRFANRHFSA-N 0 0 477.428 4.831 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447015919 1066766120 /nfs/dbraw/zinc/76/61/20/1066766120.db2.gz SPAIDLVJBYPTDC-HYEGPXJVSA-N 0 0 458.521 4.512 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cc1cccc(C(F)(F)F)n1)CC2 ZINC001457117722 1066766567 /nfs/dbraw/zinc/76/65/67/1066766567.db2.gz PJYDGAOEIMYLBP-LJQANCHMSA-N 0 0 455.521 4.527 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)C12CCCCC2 ZINC001457123585 1066767084 /nfs/dbraw/zinc/76/70/84/1066767084.db2.gz YYKGIBMEUABWOE-DHIUTWEWSA-N 0 0 454.615 4.817 20 0 JJADRN Cc1ccc(SCCC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001447023605 1066767321 /nfs/dbraw/zinc/76/73/21/1066767321.db2.gz CTROXDJUSGZOCH-UHFFFAOYSA-N 0 0 453.526 4.972 20 0 JJADRN Cc1nc(C)c(CCn2c(C)nnc2N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)s1 ZINC001492655771 1066767267 /nfs/dbraw/zinc/76/72/67/1066767267.db2.gz YCRIMFDWQVJMML-UHFFFAOYSA-N 0 0 468.627 4.812 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c1 ZINC001457126841 1066767589 /nfs/dbraw/zinc/76/75/89/1066767589.db2.gz PEMSLSDTDUJCKN-UHFFFAOYSA-N 0 0 454.239 4.653 20 0 JJADRN COC(=O)COc1cccc(C(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1 ZINC001457123731 1066767728 /nfs/dbraw/zinc/76/77/28/1066767728.db2.gz ZGNJPNCGYLAGEI-QHCPKHFHSA-N 0 0 457.498 4.758 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cs1 ZINC001457125287 1066767747 /nfs/dbraw/zinc/76/77/47/1066767747.db2.gz KXLYKUOZKIXYLZ-UHFFFAOYSA-N 0 0 450.280 4.700 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492655954 1066767807 /nfs/dbraw/zinc/76/78/07/1066767807.db2.gz RKYIXKHTVIPHNI-SFHVURJKSA-N 0 0 488.057 4.622 20 0 JJADRN Cc1cscc1Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492655960 1066767946 /nfs/dbraw/zinc/76/79/46/1066767946.db2.gz ROLQOQFRUWFEFW-UHFFFAOYSA-N 0 0 482.503 4.762 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492656247 1066768504 /nfs/dbraw/zinc/76/85/04/1066768504.db2.gz BONJTIBCMGUOQN-UHFFFAOYSA-N 0 0 456.660 4.631 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492656356 1066768553 /nfs/dbraw/zinc/76/85/53/1066768553.db2.gz FTABRNYEMCYQEN-SFHVURJKSA-N 0 0 476.691 4.676 20 0 JJADRN CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)N1CCO[C@H](CC)C1 ZINC001447035107 1066768578 /nfs/dbraw/zinc/76/85/78/1066768578.db2.gz XYJDHSQGHKYDFU-PKTZIBPZSA-N 0 0 459.428 4.867 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC001457129078 1066768659 /nfs/dbraw/zinc/76/86/59/1066768659.db2.gz VPQKYXIREOQVFQ-MRXNPFEDSA-N 0 0 450.970 4.639 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492656422 1066768969 /nfs/dbraw/zinc/76/89/69/1066768969.db2.gz HTHAWOZGPQMLNP-IBGZPJMESA-N 0 0 474.675 4.697 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001457133074 1066769228 /nfs/dbraw/zinc/76/92/28/1066769228.db2.gz ZPRYCOLJUCUEEF-APWZRJJASA-N 0 0 450.485 4.871 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2nccs2)s1 ZINC001492656672 1066769425 /nfs/dbraw/zinc/76/94/25/1066769425.db2.gz LQZBEWHZUVPOPV-UHFFFAOYSA-N 0 0 460.579 4.556 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492656627 1066769504 /nfs/dbraw/zinc/76/95/04/1066769504.db2.gz KPBIVXUQCVWJGZ-UHFFFAOYSA-N 0 0 473.528 4.706 20 0 JJADRN CCCN(CCNC(=O)c1sc(COc2ccc(F)cc2)nc1C)C(=O)OC(C)(C)C ZINC001447051248 1066769714 /nfs/dbraw/zinc/76/97/14/1066769714.db2.gz XHWSTXGJIORCEH-UHFFFAOYSA-N 0 0 451.564 4.547 20 0 JJADRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001447054245 1066769724 /nfs/dbraw/zinc/76/97/24/1066769724.db2.gz QHHMUTYTJUGLJO-KUHUBIRLSA-N 0 0 452.382 4.572 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546087007 1066769683 /nfs/dbraw/zinc/76/96/83/1066769683.db2.gz DBMVJWDLVMZMJS-XMMPIXPASA-N 0 0 475.012 4.952 20 0 JJADRN C[C@H](CNC(=O)c1ccc(OC(F)F)c(Br)c1)c1nc(-c2ccccc2)no1 ZINC001447053089 1066769748 /nfs/dbraw/zinc/76/97/48/1066769748.db2.gz NLYRWLDSHZMKRT-LLVKDONJSA-N 0 0 452.255 4.634 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)s1 ZINC001492657033 1066769940 /nfs/dbraw/zinc/76/99/40/1066769940.db2.gz PUOGLWCZMNVYMI-HNNXBMFYSA-N 0 0 496.500 4.949 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCCO3)nnc2N(C)CCOc2ccccc2C)s1 ZINC001492657014 1066770033 /nfs/dbraw/zinc/77/00/33/1066770033.db2.gz PFCIKBWQQPECCH-OAQYLSRUSA-N 0 0 455.628 4.659 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(C(F)F)cc2)c2ccc(F)c(F)c2)c1 ZINC001457137836 1066770216 /nfs/dbraw/zinc/77/02/16/1066770216.db2.gz RBNGDSOVJZDGNI-FQEVSTJZSA-N 0 0 451.441 4.825 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001447056754 1066770220 /nfs/dbraw/zinc/77/02/20/1066770220.db2.gz UTZXMJCWVLTSBE-PBEJRMEISA-N 0 0 451.558 4.984 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001447056741 1066770256 /nfs/dbraw/zinc/77/02/56/1066770256.db2.gz UTZXMJCWVLTSBE-LRQRDZAKSA-N 0 0 451.558 4.984 20 0 JJADRN CC(C)(CO)N1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001447055329 1066770303 /nfs/dbraw/zinc/77/03/03/1066770303.db2.gz BLHNEPBKJNFKKD-HXUWFJFHSA-N 0 0 453.435 4.742 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492657299 1066770449 /nfs/dbraw/zinc/77/04/49/1066770449.db2.gz UAPPUUZNCOEHNA-FQEVSTJZSA-N 0 0 460.047 4.700 20 0 JJADRN COc1ccc(C(=O)CCCCCC(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001457137624 1066770579 /nfs/dbraw/zinc/77/05/79/1066770579.db2.gz PZMNDQMBTHEBQZ-FNZWTVRRSA-N 0 0 458.599 4.734 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C12CCCC2 ZINC001457138301 1066770891 /nfs/dbraw/zinc/77/08/91/1066770891.db2.gz BXNUXHUWDCMQSA-GOTSBHOMSA-N 0 0 457.592 4.539 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CCC(O)(Cc3ccccc3F)CC2)s1 ZINC001492657315 1066770941 /nfs/dbraw/zinc/77/09/41/1066770941.db2.gz UTJBWPRTXIQWMB-UHFFFAOYSA-N 0 0 471.646 4.506 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001457139909 1066771114 /nfs/dbraw/zinc/77/11/14/1066771114.db2.gz ZBLHAUNYXGSIDS-RUZDIDTESA-N 0 0 455.424 4.644 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1)c1ccccc1 ZINC001545992318 1066771353 /nfs/dbraw/zinc/77/13/53/1066771353.db2.gz HLTGIWYAXHBQHW-GMAHTHKFSA-N 0 0 481.641 4.937 20 0 JJADRN CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1)c1ccccc1 ZINC001545992319 1066771420 /nfs/dbraw/zinc/77/14/20/1066771420.db2.gz HLTGIWYAXHBQHW-JTHBVZDNSA-N 0 0 481.641 4.937 20 0 JJADRN COc1ccccc1C[C@H](C)N(C)C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001457142375 1066771555 /nfs/dbraw/zinc/77/15/55/1066771555.db2.gz ZRKVHQIKMMHJTF-BBRMVZONSA-N 0 0 459.637 4.734 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ccnc(-n3cccn3)c2)cc1OCC ZINC001457141186 1066771580 /nfs/dbraw/zinc/77/15/80/1066771580.db2.gz QXMXIYIAGLDVBH-UHFFFAOYSA-N 0 0 456.502 4.548 20 0 JJADRN CN1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)c2ccc(F)cc21 ZINC001457143962 1066771959 /nfs/dbraw/zinc/77/19/59/1066771959.db2.gz OQVSVMBUWREDCJ-UHFFFAOYSA-N 0 0 452.374 4.799 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)s1 ZINC001492657829 1066771955 /nfs/dbraw/zinc/77/19/55/1066771955.db2.gz CJDGDVZVEPVCJZ-UHFFFAOYSA-N 0 0 494.434 4.568 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492657780 1066771989 /nfs/dbraw/zinc/77/19/89/1066771989.db2.gz AEKURLQFNQJWJJ-KRWDZBQOSA-N 0 0 496.628 4.750 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001457145206 1066772038 /nfs/dbraw/zinc/77/20/38/1066772038.db2.gz AOFPKUWMUFLDDA-CYBMUJFWSA-N 0 0 454.939 4.942 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCC(F)F)s1 ZINC001492658268 1066772483 /nfs/dbraw/zinc/77/24/83/1066772483.db2.gz AGIYYGHWQYMTFI-UHFFFAOYSA-N 0 0 462.389 4.982 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492658309 1066772514 /nfs/dbraw/zinc/77/25/14/1066772514.db2.gz ARTYLOYDGHNXNE-CQSZACIVSA-N 0 0 456.925 4.894 20 0 JJADRN COC[C@@]1(C(=O)Nc2cc(Cc3ccccc3)ccc2O)CCCCN1C(=O)OC(C)(C)C ZINC001447094017 1066772612 /nfs/dbraw/zinc/77/26/12/1066772612.db2.gz NICDHUNEEGUGNO-AREMUKBSSA-N 0 0 454.567 4.728 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001457145209 1066772512 /nfs/dbraw/zinc/77/25/12/1066772512.db2.gz AOFPKUWMUFLDDA-ZDUSSCGKSA-N 0 0 454.939 4.942 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2cc(C)cc(C)c2)CCO1 ZINC001546087229 1066772578 /nfs/dbraw/zinc/77/25/78/1066772578.db2.gz IPZQMLAUNQJQEP-XMMPIXPASA-N 0 0 455.990 4.695 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545992697 1066773324 /nfs/dbraw/zinc/77/33/24/1066773324.db2.gz MACMMGKROUIYJF-JJHGTGHCSA-N 0 0 485.629 4.720 20 0 JJADRN CCOC(=O)CC1(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CCCCC1 ZINC001447106954 1066773781 /nfs/dbraw/zinc/77/37/81/1066773781.db2.gz RPNXMXRUXCQOIR-NRFANRHFSA-N 0 0 452.636 4.870 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447103477 1066773793 /nfs/dbraw/zinc/77/37/93/1066773793.db2.gz DLOZHWYXBONUIN-OAHLLOKOSA-N 0 0 453.349 4.608 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 ZINC001447106941 1066774580 /nfs/dbraw/zinc/77/45/80/1066774580.db2.gz VIZUYSGVCGYCND-LJQANCHMSA-N 0 0 452.624 4.829 20 0 JJADRN CCOC(=O)c1ccc(NCCNC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)nc1 ZINC001457155948 1066774590 /nfs/dbraw/zinc/77/45/90/1066774590.db2.gz PBUDBLOHLXJYCX-JZJQOUJISA-N 0 0 476.404 4.992 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCCCCC2)s1 ZINC001492658344 1066774654 /nfs/dbraw/zinc/77/46/54/1066774654.db2.gz BNRZVIZGFJXKEM-UHFFFAOYSA-N 0 0 473.046 4.754 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492659034 1066774750 /nfs/dbraw/zinc/77/47/50/1066774750.db2.gz OGRMGVUXQQTTJP-UHFFFAOYSA-N 0 0 492.834 4.842 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)s1 ZINC001492659125 1066774798 /nfs/dbraw/zinc/77/47/98/1066774798.db2.gz REODIACIYOGKES-IBGZPJMESA-N 0 0 487.073 4.851 20 0 JJADRN CC1(C)CC(C)(C)c2cc(NC(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OCc3ccccc3)ccc21 ZINC001447109928 1066774966 /nfs/dbraw/zinc/77/49/66/1066774966.db2.gz OVEKHWNNTPABTP-NFQMXDRXSA-N 0 0 450.579 4.746 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001447111201 1066775048 /nfs/dbraw/zinc/77/50/48/1066775048.db2.gz VDLCOEHXJQZESP-UHFFFAOYSA-N 0 0 450.970 4.767 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(I)cc2)CCO1 ZINC001546087752 1066775181 /nfs/dbraw/zinc/77/51/81/1066775181.db2.gz SFMPKMBICGPECJ-NRFANRHFSA-N 0 0 492.361 4.505 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)s3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001492659285 1066775247 /nfs/dbraw/zinc/77/52/47/1066775247.db2.gz WKRPGUOUGHINIR-NSHDSACASA-N 0 0 482.473 4.894 20 0 JJADRN Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)s1 ZINC001492659187 1066775253 /nfs/dbraw/zinc/77/52/53/1066775253.db2.gz TVGCQXDNERKKMW-UHFFFAOYSA-N 0 0 453.538 4.580 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)s1 ZINC001492659413 1066775595 /nfs/dbraw/zinc/77/55/95/1066775595.db2.gz AGIPPFRTWLXGMM-UHFFFAOYSA-N 0 0 453.015 4.718 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492659403 1066775648 /nfs/dbraw/zinc/77/56/48/1066775648.db2.gz ZXMRUDXNSLPQBR-STQMWFEESA-N 0 0 463.449 4.650 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2csc(C(C)C)n2)CCO1 ZINC001546087861 1066775859 /nfs/dbraw/zinc/77/58/59/1066775859.db2.gz VBMDILUDECWYDY-VWLOTQADSA-N 0 0 485.654 4.790 20 0 JJADRN Cc1nc(C)c(Cn2c(CC3CCCC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659511 1066776173 /nfs/dbraw/zinc/77/61/73/1066776173.db2.gz DAHVYNOCKAVGGX-JXFKEZNVSA-N 0 0 488.702 4.872 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccsc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)s1 ZINC001492659605 1066776192 /nfs/dbraw/zinc/77/61/92/1066776192.db2.gz GTXJVTHSTOLEMX-FQEVSTJZSA-N 0 0 485.601 4.582 20 0 JJADRN O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447115844 1066776375 /nfs/dbraw/zinc/77/63/75/1066776375.db2.gz WNCWOEBJHHZEFM-MRXNPFEDSA-N 0 0 459.686 4.826 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)s1 ZINC001492659967 1066776848 /nfs/dbraw/zinc/77/68/48/1066776848.db2.gz FXVIEQRIEZKLOV-ZIAGYGMSSA-N 0 0 476.444 4.833 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)Oc1ccc(F)cc1 ZINC001447136728 1066777417 /nfs/dbraw/zinc/77/74/17/1066777417.db2.gz IYLSTSFUZGBZGO-VXKWHMMOSA-N 0 0 457.498 4.535 20 0 JJADRN CC(C)(C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1ccccc1Br ZINC001447131233 1066777477 /nfs/dbraw/zinc/77/74/77/1066777477.db2.gz NDCVIXCXUVGELH-GOSISDBHSA-N 0 0 454.311 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)C(C)(C)Sc1ccc(Br)cc1)C1CC1 ZINC001447138103 1066777499 /nfs/dbraw/zinc/77/74/99/1066777499.db2.gz WGOWHBHOOQVILY-MRXNPFEDSA-N 0 0 457.434 4.739 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccoc2)s1 ZINC001492660089 1066777386 /nfs/dbraw/zinc/77/73/86/1066777386.db2.gz HVMRQRCJMAFXBY-SFHVURJKSA-N 0 0 472.615 4.701 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccsc3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492660613 1066778001 /nfs/dbraw/zinc/77/80/01/1066778001.db2.gz XSQOGLVKXATQGQ-UHFFFAOYSA-N 0 0 453.637 4.957 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001457165764 1066778009 /nfs/dbraw/zinc/77/80/09/1066778009.db2.gz CRUVJXDOLHXOCM-INIZCTEOSA-N 0 0 456.564 4.738 20 0 JJADRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(I)cc1F ZINC001457165973 1066778134 /nfs/dbraw/zinc/77/81/34/1066778134.db2.gz UMTOFOPYLUPHJQ-GFCCVEGCSA-N 0 0 452.050 4.601 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(Cl)ccc1SC1CCCC1)Oc1ccc(F)cc1 ZINC001447143747 1066778066 /nfs/dbraw/zinc/77/80/66/1066778066.db2.gz OYDPIAPUQGOQEI-LJQANCHMSA-N 0 0 451.947 4.864 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)c[nH]c1=O ZINC001447162905 1066779158 /nfs/dbraw/zinc/77/91/58/1066779158.db2.gz XLHZNGBUQYTNMT-UHFFFAOYSA-N 0 0 459.527 4.816 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001492661126 1066779768 /nfs/dbraw/zinc/77/97/68/1066779768.db2.gz DBTFFGKVVYOKCB-LJQANCHMSA-N 0 0 492.649 4.861 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001492661106 1066779858 /nfs/dbraw/zinc/77/98/58/1066779858.db2.gz CXLDIQAGKVDWND-HTAPYJJXSA-N 0 0 469.655 4.612 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001457172047 1066780180 /nfs/dbraw/zinc/78/01/80/1066780180.db2.gz SRFRKMOIPWRQTG-ZDUSSCGKSA-N 0 0 452.320 4.627 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H]2CCO[C@@H]2C(C)C)cs1 ZINC001492661217 1066780224 /nfs/dbraw/zinc/78/02/24/1066780224.db2.gz GEKJHFKNTTZGHQ-ZDWFVDTJSA-N 0 0 455.628 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 ZINC001492661297 1066780232 /nfs/dbraw/zinc/78/02/32/1066780232.db2.gz HJEUDIRQVIQNCP-IQMFZBJNSA-N 0 0 471.627 4.940 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 ZINC001447172995 1066780307 /nfs/dbraw/zinc/78/03/07/1066780307.db2.gz VXMRXCUBGGUAIT-OAHLLOKOSA-N 0 0 454.319 4.711 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C(F)F ZINC001447170111 1066780332 /nfs/dbraw/zinc/78/03/32/1066780332.db2.gz OTWRXJTYXUVKGV-SJKOYZFVSA-N 0 0 459.324 4.942 20 0 JJADRN CN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)[C@@H]1CCSC1 ZINC001447169716 1066780370 /nfs/dbraw/zinc/78/03/70/1066780370.db2.gz OCLBJJLWZQEMHH-UZUQRXQVSA-N 0 0 452.620 4.904 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001457177097 1066780709 /nfs/dbraw/zinc/78/07/09/1066780709.db2.gz VUXDHPFWDPFDRG-CQSZACIVSA-N 0 0 453.905 4.752 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)n2)c1 ZINC001457173908 1066780808 /nfs/dbraw/zinc/78/08/08/1066780808.db2.gz ZQOZTSIERRQNGW-LBPRGKRZSA-N 0 0 458.305 4.729 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1ccccc1SCc1ccco1 ZINC001447175766 1066780878 /nfs/dbraw/zinc/78/08/78/1066780878.db2.gz QNJCBUGHFOOKOS-GOSISDBHSA-N 0 0 450.560 4.669 20 0 JJADRN O=C(Nc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1Cl)c1cccs1 ZINC001447178970 1066780887 /nfs/dbraw/zinc/78/08/87/1066780887.db2.gz DXGLQALPZXDTGG-UHFFFAOYSA-N 0 0 457.958 4.751 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1ccccc1SCc1ccco1 ZINC001447175790 1066780931 /nfs/dbraw/zinc/78/09/31/1066780931.db2.gz QNJCBUGHFOOKOS-SFHVURJKSA-N 0 0 450.560 4.669 20 0 JJADRN CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1S(C)(=O)=O ZINC001457180170 1066781311 /nfs/dbraw/zinc/78/13/11/1066781311.db2.gz WBZWCOAGFTXROM-UHFFFAOYSA-N 0 0 453.347 4.648 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC001447192691 1066781407 /nfs/dbraw/zinc/78/14/07/1066781407.db2.gz CSHPAEMHQKMVRH-UHFFFAOYSA-N 0 0 456.011 4.592 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492661757 1066781346 /nfs/dbraw/zinc/78/13/46/1066781346.db2.gz LZJDNCFWSSMRFR-INIZCTEOSA-N 0 0 488.633 4.885 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc(CCCc4ccccc4)n3CCCC(C)(C)C)CCO2)no1 ZINC001492661901 1066781355 /nfs/dbraw/zinc/78/13/55/1066781355.db2.gz FWMGTWVWNGPZOF-OAQYLSRUSA-N 0 0 452.603 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2CC2CC2)cs1 ZINC001492662186 1066781846 /nfs/dbraw/zinc/78/18/46/1066781846.db2.gz QAJCESYRXZHMJX-GOSISDBHSA-N 0 0 464.408 4.953 20 0 JJADRN C[C@@H](OC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457183709 1066781888 /nfs/dbraw/zinc/78/18/88/1066781888.db2.gz HUTCMJJRQKVCFJ-SDMNGIDPSA-N 0 0 451.954 4.783 20 0 JJADRN CCN(C(=O)Cc1csc(NC2(C)CCCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457183818 1066781927 /nfs/dbraw/zinc/78/19/27/1066781927.db2.gz DBYUFDHQCKCQDV-UHFFFAOYSA-N 0 0 450.649 4.678 20 0 JJADRN O=C(N[C@H](CO)c1cc(F)ccc1F)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC001457186231 1066781964 /nfs/dbraw/zinc/78/19/64/1066781964.db2.gz GZZFBMHEFFYANU-HSZRJFAPSA-N 0 0 453.876 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2CC2CC2)cs1 ZINC001492662187 1066781978 /nfs/dbraw/zinc/78/19/78/1066781978.db2.gz QAJCESYRXZHMJX-SFHVURJKSA-N 0 0 464.408 4.953 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001447202942 1066782298 /nfs/dbraw/zinc/78/22/98/1066782298.db2.gz LHDZDMLWQUJCCI-OAHLLOKOSA-N 0 0 455.967 4.560 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)[C@]4(C(=O)OC(C)(C)C)CCCO4)cc32)c1 ZINC001447204344 1066782338 /nfs/dbraw/zinc/78/23/38/1066782338.db2.gz VVJMEWDNVAZQDO-SANMLTNESA-N 0 0 450.535 4.528 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccccc1 ZINC001447214509 1066782742 /nfs/dbraw/zinc/78/27/42/1066782742.db2.gz ZAKUKBCTTUNOMP-AHWVRZQESA-N 0 0 458.558 4.605 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCC(=O)Nc2ccccc2)cs1 ZINC001492662676 1066782847 /nfs/dbraw/zinc/78/28/47/1066782847.db2.gz WVWCNYGIKCWZBN-MRXNPFEDSA-N 0 0 466.636 4.922 20 0 JJADRN CCN(C(=O)c1ccc(Br)c(OC(C)C)c1)c1ccccc1S(=O)(=O)CC ZINC001457188550 1066782826 /nfs/dbraw/zinc/78/28/26/1066782826.db2.gz BKQVJQBMVJQZLW-UHFFFAOYSA-N 0 0 454.386 4.697 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC2(C)CCCC2)cs1 ZINC001492662901 1066782979 /nfs/dbraw/zinc/78/29/79/1066782979.db2.gz ZLKWASSIASWFFX-QGZVFWFLSA-N 0 0 487.695 4.815 20 0 JJADRN CCN(C(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1)c1ccccc1S(=O)(=O)CC ZINC001457191737 1066783315 /nfs/dbraw/zinc/78/33/15/1066783315.db2.gz MUOHNIZXAOOURW-HXUWFJFHSA-N 0 0 451.588 4.891 20 0 JJADRN CSc1cccc([C@H](NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c2ccc(F)c(F)c2)c1 ZINC001457191302 1066783340 /nfs/dbraw/zinc/78/33/40/1066783340.db2.gz FFPSPUGAPTXRSO-OFNKIYASSA-N 0 0 452.526 4.762 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001457191829 1066783356 /nfs/dbraw/zinc/78/33/56/1066783356.db2.gz NDBNVIBNINZVIA-PNPHSEOMSA-N 0 0 458.205 4.645 20 0 JJADRN CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1S(=O)(=O)CC ZINC001457190992 1066783448 /nfs/dbraw/zinc/78/34/48/1066783448.db2.gz KNXDSGYWAQRABY-UHFFFAOYSA-N 0 0 451.548 4.791 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCOCCC(C)C)CCO2)no1 ZINC001492663006 1066783450 /nfs/dbraw/zinc/78/34/50/1066783450.db2.gz PRMKFMKJNKDJED-LJQANCHMSA-N 0 0 495.411 4.584 20 0 JJADRN CO[C@H](C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F ZINC001457193843 1066783793 /nfs/dbraw/zinc/78/37/93/1066783793.db2.gz JGDDLTNUOYCYGV-APWZRJJASA-N 0 0 458.521 4.936 20 0 JJADRN C[C@@](Cc1nc2ccccc2s1)(C(=O)N[C@@H](CO)c1cc(F)ccc1F)c1ccccc1 ZINC001457192861 1066783919 /nfs/dbraw/zinc/78/39/19/1066783919.db2.gz RLOJROMPLXLUGB-OFVILXPXSA-N 0 0 452.526 4.925 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC001447232834 1066783971 /nfs/dbraw/zinc/78/39/71/1066783971.db2.gz QOCAVKIXATXTHP-KRWDZBQOSA-N 0 0 455.967 4.576 20 0 JJADRN CSCC[C@@H](CC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F)NC(=O)OC(C)(C)C ZINC001447232918 1066784033 /nfs/dbraw/zinc/78/40/33/1066784033.db2.gz QYJYFFDAPOMZKN-JSGCOSHPSA-N 0 0 450.523 4.641 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCC4(CC3)OCCO4)n2CCCSCC(C)C)cs1 ZINC001492663702 1066783930 /nfs/dbraw/zinc/78/39/30/1066783930.db2.gz HGAMLVZPJHRICE-UHFFFAOYSA-N 0 0 479.716 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492663735 1066783974 /nfs/dbraw/zinc/78/39/74/1066783974.db2.gz IIBDFMWJVUBHID-QFIPXVFZSA-N 0 0 479.572 4.853 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001545993707 1066784430 /nfs/dbraw/zinc/78/44/30/1066784430.db2.gz BNMNSLRPGPHGTR-UHFFFAOYSA-N 0 0 456.262 4.932 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccsc2)cs1 ZINC001492664599 1066784928 /nfs/dbraw/zinc/78/49/28/1066784928.db2.gz VCVHOXDHBREWMG-UHFFFAOYSA-N 0 0 488.683 4.579 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3ccc4ccc(Cl)cc4n3)CCCC2)cc1OC ZINC001457196674 1066785403 /nfs/dbraw/zinc/78/54/03/1066785403.db2.gz FHRABROXQGAWKB-UHFFFAOYSA-N 0 0 453.926 4.587 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196813 1066785637 /nfs/dbraw/zinc/78/56/37/1066785637.db2.gz BVFNKWMTNOMUCT-SFTDATJTSA-N 0 0 452.551 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccc(Br)cc2O)C1 ZINC001457196997 1066785685 /nfs/dbraw/zinc/78/56/85/1066785685.db2.gz DNIFMORCBRRZBX-OAQYLSRUSA-N 0 0 453.377 4.551 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993982 1066786040 /nfs/dbraw/zinc/78/60/40/1066786040.db2.gz KCRPPQQSIRVIPU-LAUBAEHRSA-N 0 0 452.624 4.717 20 0 JJADRN O=C(O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001457196892 1066786174 /nfs/dbraw/zinc/78/61/74/1066786174.db2.gz ZYVCSOIWGSTLCV-AWEZNQCLSA-N 0 0 450.726 4.795 20 0 JJADRN Cc1ccc(O)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC001447270628 1066786381 /nfs/dbraw/zinc/78/63/81/1066786381.db2.gz SQUCWEZPFLWODS-UHFFFAOYSA-N 0 0 454.939 4.985 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492665447 1066786598 /nfs/dbraw/zinc/78/65/98/1066786598.db2.gz IYAQXOROOQWCSU-JOCHJYFZSA-N 0 0 482.057 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)CC1 ZINC001457199482 1066786662 /nfs/dbraw/zinc/78/66/62/1066786662.db2.gz SOPBDLWOEHIRJE-INIZCTEOSA-N 0 0 457.537 4.922 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199495 1066786671 /nfs/dbraw/zinc/78/66/71/1066786671.db2.gz SRLGTVLXYJSLSU-MOPGFXCFSA-N 0 0 455.640 4.566 20 0 JJADRN COC(=O)CC1(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCCCC1 ZINC001457201129 1066787284 /nfs/dbraw/zinc/78/72/84/1066787284.db2.gz UWTSYHWHVYJDBZ-OAQYLSRUSA-N 0 0 456.970 4.583 20 0 JJADRN C[C@H]1CCc2[nH]c3ccc(C(=O)N(CCO)Cc4cc(Br)ccc4F)cc3c2C1 ZINC001447279688 1066787203 /nfs/dbraw/zinc/78/72/03/1066787203.db2.gz XZYIUDMXXYIBOR-AWEZNQCLSA-N 0 0 459.359 4.829 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2CCOC(C)(C)C)cs1 ZINC001492665555 1066787228 /nfs/dbraw/zinc/78/72/28/1066787228.db2.gz NCJWYHIITJYYHT-UHFFFAOYSA-N 0 0 478.460 4.848 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@@H]2C)cs1 ZINC001492665554 1066787341 /nfs/dbraw/zinc/78/73/41/1066787341.db2.gz NAZNNUSLVQNQPV-YJBOKZPZSA-N 0 0 477.581 4.544 20 0 JJADRN O=C(c1ccc(COc2ccccc2)cc1)N(CCO)Cc1cc(Br)ccc1F ZINC001447277377 1066787326 /nfs/dbraw/zinc/78/73/26/1066787326.db2.gz MLWIRMKYTIUDCH-UHFFFAOYSA-N 0 0 458.327 4.802 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Br)ccc1O ZINC001447278552 1066787377 /nfs/dbraw/zinc/78/73/77/1066787377.db2.gz PUEOMHRNIZDRQA-ZDUSSCGKSA-N 0 0 457.162 4.751 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001545994050 1066787448 /nfs/dbraw/zinc/78/74/48/1066787448.db2.gz MDOBTAIXLBNTAN-FQEVSTJZSA-N 0 0 459.384 4.593 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@@H]2CSCCS2)cs1 ZINC001492665818 1066787727 /nfs/dbraw/zinc/78/77/27/1066787727.db2.gz AOMALGQZZQLUAS-OAHLLOKOSA-N 0 0 485.626 4.536 20 0 JJADRN C[C@H]1CCCN(C(=O)CSc2ccc(Br)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457202577 1066787845 /nfs/dbraw/zinc/78/78/45/1066787845.db2.gz SXOVDYWEDZTHGI-WMLDXEAASA-N 0 0 457.434 4.693 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001457202929 1066788330 /nfs/dbraw/zinc/78/83/30/1066788330.db2.gz QBYKZROYFIZUCS-UHFFFAOYSA-N 0 0 450.576 4.778 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2Cc2ccc(OCC(C)C)cc2)cs1 ZINC001492665845 1066788150 /nfs/dbraw/zinc/78/81/50/1066788150.db2.gz BJUIAKZFCDBPPL-UHFFFAOYSA-N 0 0 480.638 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CC2(C(=O)N(C)C)CCCC2)cs1 ZINC001492665888 1066788379 /nfs/dbraw/zinc/78/83/79/1066788379.db2.gz WSFQYYSISABYJG-UHFFFAOYSA-N 0 0 487.073 4.572 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2CC[C@@H]2CCCCO2)cs1 ZINC001492666003 1066788932 /nfs/dbraw/zinc/78/89/32/1066788932.db2.gz YNSAZEHNMJGGPH-FQEVSTJZSA-N 0 0 490.471 4.992 20 0 JJADRN O=C(NC[C@H]1OCc2ccccc21)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001457204230 1066789015 /nfs/dbraw/zinc/78/90/15/1066789015.db2.gz AWLPMOJVLSELFV-GOSISDBHSA-N 0 0 457.349 4.764 20 0 JJADRN Cc1cc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)on1 ZINC001447300412 1066789012 /nfs/dbraw/zinc/78/90/12/1066789012.db2.gz CFKRPBACCYAASE-MHZLTWQESA-N 0 0 456.542 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001457205455 1066789427 /nfs/dbraw/zinc/78/94/27/1066789427.db2.gz YEGWDNFQOFKILN-GCJKJVERSA-N 0 0 457.398 4.809 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2CC2(O)CCCCC2)cs1 ZINC001492666046 1066789451 /nfs/dbraw/zinc/78/94/51/1066789451.db2.gz FQUZYCKPWBPLFS-UHFFFAOYSA-N 0 0 452.049 4.680 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1OC ZINC001457206298 1066789973 /nfs/dbraw/zinc/78/99/73/1066789973.db2.gz GZTOYAWRJYNCFO-SFHVURJKSA-N 0 0 451.350 4.716 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cs1 ZINC001492666136 1066789888 /nfs/dbraw/zinc/78/98/88/1066789888.db2.gz IKKHPIXPSAJYDC-HTAPYJJXSA-N 0 0 475.062 4.770 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCc2csc(C(C)(C)C)n2)cs1 ZINC001492666099 1066789996 /nfs/dbraw/zinc/78/99/96/1066789996.db2.gz GXNMYFONLRYMKU-UHFFFAOYSA-N 0 0 485.683 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCCO[C@H]2C(C)C)cs1 ZINC001492666139 1066790079 /nfs/dbraw/zinc/79/00/79/1066790079.db2.gz IKKHPIXPSAJYDC-VGSWGCGISA-N 0 0 475.062 4.770 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC[C@H]2CCOC2)cs1 ZINC001492666196 1066790422 /nfs/dbraw/zinc/79/04/22/1066790422.db2.gz KTUITUDHZJZRBR-HNNXBMFYSA-N 0 0 483.535 4.855 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2Cc2ncccc2N(C)C)cs1 ZINC001492666189 1066790444 /nfs/dbraw/zinc/79/04/44/1066790444.db2.gz KPQZAABZTRGLCB-UHFFFAOYSA-N 0 0 486.020 4.572 20 0 JJADRN O=C(c1ccc(=O)[nH]c1)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447315008 1066790527 /nfs/dbraw/zinc/79/05/27/1066790527.db2.gz OVOJGZNXNWSVSW-AREMUKBSSA-N 0 0 454.526 4.742 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC001447315792 1066791166 /nfs/dbraw/zinc/79/11/66/1066791166.db2.gz PSDTWNXERPIUNX-BDTNDASRSA-N 0 0 451.485 4.648 20 0 JJADRN Cn1c2ccc(NC(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)cc2nc1C(C)(C)C ZINC001447315850 1066791177 /nfs/dbraw/zinc/79/11/77/1066791177.db2.gz GXRMCCUQVOYNRT-UHFFFAOYSA-N 0 0 457.571 4.979 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC001457209650 1066791325 /nfs/dbraw/zinc/79/13/25/1066791325.db2.gz VFDASLTVOTZJDY-LBPRGKRZSA-N 0 0 452.935 4.705 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H]2CCC=CO2)cs1 ZINC001492666409 1066791375 /nfs/dbraw/zinc/79/13/75/1066791375.db2.gz SFPUHOUNQJNUSD-LJQANCHMSA-N 0 0 474.428 4.725 20 0 JJADRN CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 ZINC001447319272 1066791578 /nfs/dbraw/zinc/79/15/78/1066791578.db2.gz OWELDTYEGWKFTB-UHFFFAOYSA-N 0 0 450.771 4.946 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2C[C@@H]2CCO[C@@H](C)C2)cs1 ZINC001492666435 1066791540 /nfs/dbraw/zinc/79/15/40/1066791540.db2.gz UBXOIWQVRUOULV-GOEBONIOSA-N 0 0 464.010 4.878 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc3c([nH]2)c(Br)ccc3C)n1C ZINC001457212251 1066791762 /nfs/dbraw/zinc/79/17/62/1066791762.db2.gz BCQJPBHQCBDITJ-GOSISDBHSA-N 0 0 458.356 4.731 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CSCc1ccncc1)c1ccc2ccccc2c1 ZINC001447321980 1066792001 /nfs/dbraw/zinc/79/20/01/1066792001.db2.gz PYPUEVWHLDUUHZ-QFIPXVFZSA-N 0 0 451.592 4.850 20 0 JJADRN CC(C)c1nc(C(=O)N2CCCN2C(=O)OC(C)(C)C)nn1-c1c(Cl)cccc1Cl ZINC001447321457 1066792043 /nfs/dbraw/zinc/79/20/43/1066792043.db2.gz WYCGCYJXUBWSCK-UHFFFAOYSA-N 0 0 454.358 4.696 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)s1 ZINC001457212902 1066792136 /nfs/dbraw/zinc/79/21/36/1066792136.db2.gz KPLTXLFDTUVINY-QFBILLFUSA-N 0 0 450.626 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](C)Oc2ccccc2F)cs1 ZINC001492667028 1066792817 /nfs/dbraw/zinc/79/28/17/1066792817.db2.gz QSPWBULOPQODCY-QGZVFWFLSA-N 0 0 495.628 4.790 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001447326407 1066793067 /nfs/dbraw/zinc/79/30/67/1066793067.db2.gz KKUSLYHMCPDOEA-UHFFFAOYSA-N 0 0 458.341 4.868 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457220530 1066793115 /nfs/dbraw/zinc/79/31/15/1066793115.db2.gz HJMLRYQEOFNQJN-FYSMJZIKSA-N 0 0 454.929 4.773 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2c(F)cccc2OC(F)F)s1 ZINC001492667177 1066793026 /nfs/dbraw/zinc/79/30/26/1066793026.db2.gz XGPOLSXVNRQYRA-UHFFFAOYSA-N 0 0 494.568 4.824 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)CC[C@@H](C)c2ccccc21 ZINC001457218982 1066793148 /nfs/dbraw/zinc/79/31/48/1066793148.db2.gz IYCHNHDQPNPLCN-QKFKETGDSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492667240 1066793594 /nfs/dbraw/zinc/79/35/94/1066793594.db2.gz ZEJHULLPJFRRKN-SFHVURJKSA-N 0 0 486.642 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3csc(Br)c3)n2C[C@@]2(C)CCCO2)cs1 ZINC001492667223 1066793612 /nfs/dbraw/zinc/79/36/12/1066793612.db2.gz YPBYRWLROSZOLV-LJQANCHMSA-N 0 0 482.473 4.663 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC001457222530 1066793671 /nfs/dbraw/zinc/79/36/71/1066793671.db2.gz LHWTZPZPOYPRFC-UHFFFAOYSA-N 0 0 459.340 4.888 20 0 JJADRN CC[C@@H]1CN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447330143 1066793978 /nfs/dbraw/zinc/79/39/78/1066793978.db2.gz HPPOOCJCCIBWPT-LJHODMEESA-N 0 0 454.489 4.545 20 0 JJADRN CC[C@H]1CN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329565 1066794093 /nfs/dbraw/zinc/79/40/93/1066794093.db2.gz HGINYUCBRCQSMM-UPVQGACJSA-N 0 0 452.595 4.960 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329623 1066794130 /nfs/dbraw/zinc/79/41/30/1066794130.db2.gz HIGQJJRSACHWST-NNMXDRDESA-N 0 0 453.583 4.987 20 0 JJADRN CC[C@@H]1CN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC)CN1C(C)=O ZINC001457223503 1066794040 /nfs/dbraw/zinc/79/40/40/1066794040.db2.gz ADBAZYWULXQMCD-IBQUMJASSA-N 0 0 450.423 4.985 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001457226483 1066794051 /nfs/dbraw/zinc/79/40/51/1066794051.db2.gz XYVBEQAFHCFRLH-AWEZNQCLSA-N 0 0 453.461 4.997 20 0 JJADRN C[C@H](CC(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1)NC(=O)c1ccccc1 ZINC001447331316 1066794602 /nfs/dbraw/zinc/79/46/02/1066794602.db2.gz UPVBMPQYOGCRNM-LJQANCHMSA-N 0 0 452.599 4.677 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492667961 1066794866 /nfs/dbraw/zinc/79/48/66/1066794866.db2.gz UOBJXCXKTCWMHP-KRWDZBQOSA-N 0 0 474.581 4.514 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC001546088947 1066794925 /nfs/dbraw/zinc/79/49/25/1066794925.db2.gz DVURUZJQJPYBJL-HHHXNRCGSA-N 0 0 494.640 4.802 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCC1(c2ccccc2Cl)CC1 ZINC001447333922 1066794938 /nfs/dbraw/zinc/79/49/38/1066794938.db2.gz JIPXHKVXPPRIDW-FQEVSTJZSA-N 0 0 454.901 4.938 20 0 JJADRN CC[C@H](C(=O)NCc1ccc(Br)cc1C(F)(F)F)N(C)C(=O)OC(C)(C)C ZINC001447334012 1066794974 /nfs/dbraw/zinc/79/49/74/1066794974.db2.gz LLQJNMTZOPKTBW-CQSZACIVSA-N 0 0 453.299 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCCCC(F)(F)C2)cs1 ZINC001492667925 1066794950 /nfs/dbraw/zinc/79/49/50/1066794950.db2.gz SPPWYHPLKAYBJM-ZWKOTPCHSA-N 0 0 453.603 4.712 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001447333511 1066795033 /nfs/dbraw/zinc/79/50/33/1066795033.db2.gz ICJDOEUZHLGAHX-HXUWFJFHSA-N 0 0 458.400 4.529 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCC1(c2ccccc2Cl)CC1 ZINC001447333927 1066795042 /nfs/dbraw/zinc/79/50/42/1066795042.db2.gz JIPXHKVXPPRIDW-HXUWFJFHSA-N 0 0 454.901 4.938 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)CC[C@H](C)c2ccccc21 ZINC001457230328 1066795287 /nfs/dbraw/zinc/79/52/87/1066795287.db2.gz RWZQBZAFFXIFBY-NPMABZOXSA-N 0 0 455.352 4.934 20 0 JJADRN C[C@@H](NC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1)c1cc(Cl)ccc1F ZINC001447334715 1066795524 /nfs/dbraw/zinc/79/55/24/1066795524.db2.gz PKGMXYTYBRZGKM-OAHLLOKOSA-N 0 0 454.970 4.589 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC[C@H]1c1ccccc1 ZINC001447338054 1066795833 /nfs/dbraw/zinc/79/58/33/1066795833.db2.gz CYHPZXNXUBGPIR-DEOSSOPVSA-N 0 0 452.551 4.923 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC001447336747 1066796013 /nfs/dbraw/zinc/79/60/13/1066796013.db2.gz XABJSGBPOGURML-BBEJJTJUSA-N 0 0 477.321 4.778 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)CCC(C)C)CCO1 ZINC001546089053 1066795938 /nfs/dbraw/zinc/79/59/38/1066795938.db2.gz GVDHAISCBOJNIS-DHIUTWEWSA-N 0 0 479.463 4.900 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001457232940 1066796005 /nfs/dbraw/zinc/79/60/05/1066796005.db2.gz NYACQVJXZXRLAG-SFHVURJKSA-N 0 0 452.776 4.732 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001492668441 1066796249 /nfs/dbraw/zinc/79/62/49/1066796249.db2.gz KYXOTWVXXCFYOQ-UHFFFAOYSA-N 0 0 474.675 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492668509 1066796295 /nfs/dbraw/zinc/79/62/95/1066796295.db2.gz NWAKHNJWFSOKLX-UHFFFAOYSA-N 0 0 470.468 4.546 20 0 JJADRN COc1ccc(C=O)c(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 ZINC001447346738 1066796886 /nfs/dbraw/zinc/79/68/86/1066796886.db2.gz HSDFEQYTXFZJBB-UHFFFAOYSA-N 0 0 456.857 4.570 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCc4sccc43)cc2)cc1 ZINC001447346723 1066797030 /nfs/dbraw/zinc/79/70/30/1066797030.db2.gz MQRRUHCHTTUAHA-NRFANRHFSA-N 0 0 456.589 4.755 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOCC3CC3)n2Cc2ccc(C(F)(F)F)cc2C)cs1 ZINC001492668949 1066797270 /nfs/dbraw/zinc/79/72/70/1066797270.db2.gz CZJPVOFGQARBDJ-UHFFFAOYSA-N 0 0 479.572 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@]2(C)CCCS2)cs1 ZINC001492669038 1066797335 /nfs/dbraw/zinc/79/73/35/1066797335.db2.gz HCBDGZKFCFHMQQ-QHCPKHFHSA-N 0 0 457.669 4.743 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CC(C)(C)c2cccs2)cs1 ZINC001492668831 1066797418 /nfs/dbraw/zinc/79/74/18/1066797418.db2.gz ZDQBSJZCYGVSHZ-UHFFFAOYSA-N 0 0 458.682 4.809 20 0 JJADRN Cn1cnc2c1ccc1c2CCCN1C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001457244370 1066797784 /nfs/dbraw/zinc/79/77/84/1066797784.db2.gz HHASAWXBMJNHTF-UHFFFAOYSA-N 0 0 454.246 4.827 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3)n2C[C@]2(C)CCCS2)cs1 ZINC001492669171 1066797855 /nfs/dbraw/zinc/79/78/55/1066797855.db2.gz LLKAAHSNZULQKE-QHCPKHFHSA-N 0 0 457.669 4.825 20 0 JJADRN Cc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1I ZINC001447360872 1066798155 /nfs/dbraw/zinc/79/81/55/1066798155.db2.gz LMYRBKRFWWWJGL-HXUWFJFHSA-N 0 0 457.311 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccsc2Br)cs1 ZINC001492669748 1066798272 /nfs/dbraw/zinc/79/82/72/1066798272.db2.gz AAYGLBVHZBQXIK-BETUJISGSA-N 0 0 466.474 4.988 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n[nH]1 ZINC001457248084 1066798300 /nfs/dbraw/zinc/79/83/00/1066798300.db2.gz WXIHPCRSAQZRRJ-UHFFFAOYSA-N 0 0 450.923 4.553 20 0 JJADRN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001447362148 1066798540 /nfs/dbraw/zinc/79/85/40/1066798540.db2.gz LBKPTBNSLFNHBV-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)c2)n1 ZINC001457263033 1066798599 /nfs/dbraw/zinc/79/85/99/1066798599.db2.gz GLZVWNRJCXYZJN-UHFFFAOYSA-N 0 0 456.550 4.688 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)C[C@H](C)c1ccc(F)c(Br)c1)C(F)(F)F ZINC001457263011 1066798730 /nfs/dbraw/zinc/79/87/30/1066798730.db2.gz GFXQQLNAKNQCOA-HUTHGQBESA-N 0 0 450.274 4.852 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492669906 1066799066 /nfs/dbraw/zinc/79/90/66/1066799066.db2.gz KXLWNGNPAIWQAZ-OXJNMPFZSA-N 0 0 490.674 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO3)n2Cc2c(C)sc(C)c2Br)cs1 ZINC001492669909 1066799156 /nfs/dbraw/zinc/79/91/56/1066799156.db2.gz KXVJFKIAQIUWNG-MRXNPFEDSA-N 0 0 496.500 4.738 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001447365406 1066799155 /nfs/dbraw/zinc/79/91/55/1066799155.db2.gz HCYXDPRWYKSHLV-UIFIKXQLSA-N 0 0 458.624 4.612 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1 ZINC001457264382 1066799189 /nfs/dbraw/zinc/79/91/89/1066799189.db2.gz DZLWANQYEXZRJR-UHFFFAOYSA-N 0 0 458.305 4.670 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2CC2CCC(C(F)(F)F)CC2)cs1 ZINC001492670099 1066799518 /nfs/dbraw/zinc/79/95/18/1066799518.db2.gz NTKXBNIKRDUFDE-UHFFFAOYSA-N 0 0 471.593 4.744 20 0 JJADRN CCC(CC)[C@@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)N1CCOCC1 ZINC001447365547 1066799596 /nfs/dbraw/zinc/79/95/96/1066799596.db2.gz BPEGQHVWXUBUFO-QHCPKHFHSA-N 0 0 458.002 4.976 20 0 JJADRN Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492670131 1066799563 /nfs/dbraw/zinc/79/95/63/1066799563.db2.gz OPOPAABVGBCQOW-ICSRJNTNSA-N 0 0 479.572 4.926 20 0 JJADRN Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2ccc([C@H](C)O)cc2)cs1 ZINC001492670128 1066799632 /nfs/dbraw/zinc/79/96/32/1066799632.db2.gz OMHQXIPDNKVIMH-HNNXBMFYSA-N 0 0 479.572 4.904 20 0 JJADRN C[C@@](O)(CNC(=O)c1cnc(-c2ccccc2Br)s1)c1ccccc1Cl ZINC001447365564 1066799665 /nfs/dbraw/zinc/79/96/65/1066799665.db2.gz BZXRZAMYRGAYOW-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC001447365903 1066799811 /nfs/dbraw/zinc/79/98/11/1066799811.db2.gz KFSOYTBBPNPUCJ-HSZRJFAPSA-N 0 0 459.951 4.649 20 0 JJADRN COc1cccc(C(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c2cccc(OC)c2)c1 ZINC001457270528 1066800680 /nfs/dbraw/zinc/80/06/80/1066800680.db2.gz RJJFNTQGALAMNQ-VGOFRKELSA-N 0 0 454.567 4.555 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)Oc1ccccc1F ZINC001545995056 1066800878 /nfs/dbraw/zinc/80/08/78/1066800878.db2.gz LNCMYYOFUKLCPJ-INIZCTEOSA-N 0 0 472.527 4.757 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCc2ccc(N(C)C)cc2)cs1 ZINC001492671196 1066801222 /nfs/dbraw/zinc/80/12/22/1066801222.db2.gz SKYQIINHZZQJRN-SFHVURJKSA-N 0 0 452.672 4.815 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2Cc2cccnc2OCC(F)(F)F)cs1 ZINC001492670964 1066801249 /nfs/dbraw/zinc/80/12/49/1066801249.db2.gz NTYHSPZTNLSOPP-HUUCEWRRSA-N 0 0 480.560 4.643 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545995172 1066801501 /nfs/dbraw/zinc/80/15/01/1066801501.db2.gz NSYLIPTVXNGYIT-QUCCMNQESA-N 0 0 457.619 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(OCC(C)C)cc2)cs1 ZINC001492671388 1066801887 /nfs/dbraw/zinc/80/18/87/1066801887.db2.gz VRKFCGZVNWMNMY-SFHVURJKSA-N 0 0 469.655 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492671370 1066802018 /nfs/dbraw/zinc/80/20/18/1066802018.db2.gz VMGHJZZRPOYGFR-IRXDYDNUSA-N 0 0 462.664 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCCSCC(C)C)cs1 ZINC001492671411 1066802069 /nfs/dbraw/zinc/80/20/69/1066802069.db2.gz WPXZJIAUHHXREU-RHSMWYFYSA-N 0 0 477.622 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492671542 1066802654 /nfs/dbraw/zinc/80/26/54/1066802654.db2.gz YRHINBQCPUHQDO-FXAWDEMLSA-N 0 0 488.702 4.810 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001457281805 1066803230 /nfs/dbraw/zinc/80/32/30/1066803230.db2.gz YFOUQUBMPMTAGL-NWDGAFQWSA-N 0 0 456.123 4.829 20 0 JJADRN O=C([C@H]1CCCCN1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399305 1066803837 /nfs/dbraw/zinc/80/38/37/1066803837.db2.gz HTHFHLXVHDVOPV-OAQYLSRUSA-N 0 0 450.385 4.836 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)c1 ZINC001447398551 1066803915 /nfs/dbraw/zinc/80/39/15/1066803915.db2.gz JOANCISXKGQSJU-OAQYLSRUSA-N 0 0 454.636 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492672319 1066804398 /nfs/dbraw/zinc/80/43/98/1066804398.db2.gz AADBKKCIXDNCLA-OAHLLOKOSA-N 0 0 461.582 4.863 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2CCCOC(F)(F)F)cs1 ZINC001492672213 1066804421 /nfs/dbraw/zinc/80/44/21/1066804421.db2.gz PSZWDMNDDAQBIW-UHFFFAOYSA-N 0 0 493.555 4.660 20 0 JJADRN COc1cc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(C)C ZINC001447404765 1066804477 /nfs/dbraw/zinc/80/44/77/1066804477.db2.gz SKKCSNHKOZSIPC-UHFFFAOYSA-N 0 0 459.543 4.837 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492672751 1066805001 /nfs/dbraw/zinc/80/50/01/1066805001.db2.gz XLVDLFXREPRPKF-WZONZLPQSA-N 0 0 493.599 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492672746 1066805070 /nfs/dbraw/zinc/80/50/70/1066805070.db2.gz XLVDLFXREPRPKF-FDDCHVKYSA-N 0 0 493.599 4.956 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290861 1066805072 /nfs/dbraw/zinc/80/50/72/1066805072.db2.gz AQTFUTIDEROGEN-WOJBJXKFSA-N 0 0 452.595 4.556 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c(OC2CCCC2)c1 ZINC001457291043 1066805093 /nfs/dbraw/zinc/80/50/93/1066805093.db2.gz BSHXWPJWCHNNNB-GOSISDBHSA-N 0 0 456.608 4.702 20 0 JJADRN Cc1cc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)ncc1Br ZINC001457297881 1066806287 /nfs/dbraw/zinc/80/62/87/1066806287.db2.gz ZTHZAOUMBVQTLT-KRWDZBQOSA-N 0 0 453.178 4.691 20 0 JJADRN Cc1c2ccccc2sc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001447416422 1066806396 /nfs/dbraw/zinc/80/63/96/1066806396.db2.gz UHGUMHMDBVEBFQ-QGZVFWFLSA-N 0 0 456.633 4.634 20 0 JJADRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001447416076 1066806514 /nfs/dbraw/zinc/80/65/14/1066806514.db2.gz SOWRRAASRYUVQY-AAIMPIBUSA-N 0 0 452.599 4.899 20 0 JJADRN COc1ccc(COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1SC(F)(F)F ZINC001457297031 1066806414 /nfs/dbraw/zinc/80/64/14/1066806414.db2.gz WEDYALLKXSPHLA-KRWDZBQOSA-N 0 0 453.482 4.707 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)Nc1ccc(-c2ccccc2)nn1 ZINC001457297510 1066806463 /nfs/dbraw/zinc/80/64/63/1066806463.db2.gz SFPFCMGJLCOUFN-IBGZPJMESA-N 0 0 458.440 4.720 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2CC(=O)Nc2c(C)cccc2C)cs1 ZINC001492673504 1066806689 /nfs/dbraw/zinc/80/66/89/1066806689.db2.gz VKVSLJMOEGHMOI-UHFFFAOYSA-N 0 0 452.628 4.516 20 0 JJADRN Cc1nnc(SCC(=O)N2Cc3ccc(Br)cc3C2)n1-c1cc(C)ccc1C ZINC001447416788 1066806826 /nfs/dbraw/zinc/80/68/26/1066806826.db2.gz VXOORGPNPWEIHJ-UHFFFAOYSA-N 0 0 457.397 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492673790 1066807355 /nfs/dbraw/zinc/80/73/55/1066807355.db2.gz BSFPEGZLPAZERH-KBPBESRZSA-N 0 0 480.469 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492673791 1066807478 /nfs/dbraw/zinc/80/74/78/1066807478.db2.gz BSFPEGZLPAZERH-KGLIPLIRSA-N 0 0 480.469 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCCCn2cc(Br)cn2)cs1 ZINC001492673707 1066807527 /nfs/dbraw/zinc/80/75/27/1066807527.db2.gz ZXROUKHXRMAPMA-HZPDHXFCSA-N 0 0 492.491 4.556 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674113 1066807928 /nfs/dbraw/zinc/80/79/28/1066807928.db2.gz KZMRLYOVNXHWAZ-JENIJYKNSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492673956 1066807970 /nfs/dbraw/zinc/80/79/70/1066807970.db2.gz GXHSSGRZXKRZFI-HUUCEWRRSA-N 0 0 465.545 4.858 20 0 JJADRN CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(I)cc1Br ZINC001457314875 1066808240 /nfs/dbraw/zinc/80/82/40/1066808240.db2.gz DQOLHWBATAFXOY-CQSZACIVSA-N 0 0 452.130 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@](C)(O)c2ccsc2)cs1 ZINC001492674295 1066808620 /nfs/dbraw/zinc/80/86/20/1066808620.db2.gz PFGRERKZXSVDEL-HXUWFJFHSA-N 0 0 485.601 4.772 20 0 JJADRN Cc1nc2ccc(C(=O)Nc3ccc(I)cc3Br)cc2o1 ZINC001457315733 1066808793 /nfs/dbraw/zinc/80/87/93/1066808793.db2.gz HXPGLYRIBCIFDZ-UHFFFAOYSA-N 0 0 457.065 4.756 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC001492674953 1066809564 /nfs/dbraw/zinc/80/95/64/1066809564.db2.gz YNPNTRZVMMBNQH-GOSISDBHSA-N 0 0 494.587 4.891 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3)n2CCNc2ncc(Cl)cc2Cl)CCO1 ZINC001546089884 1066809805 /nfs/dbraw/zinc/80/98/05/1066809805.db2.gz YFZCARUPZCJFRZ-QFIPXVFZSA-N 0 0 461.397 4.764 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CC=C(c3cccc(Br)c3)CC1)C2 ZINC001447448565 1066810844 /nfs/dbraw/zinc/81/08/44/1066810844.db2.gz JWNGIVCBXFFRPT-AABGKKOBSA-N 0 0 461.400 4.853 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492675661 1066810932 /nfs/dbraw/zinc/81/09/32/1066810932.db2.gz GZYDYLTZBRJCDP-XMMPIXPASA-N 0 0 490.073 4.589 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001457330176 1066811446 /nfs/dbraw/zinc/81/14/46/1066811446.db2.gz ACGHSEADDBUFOM-UHFFFAOYSA-N 0 0 459.587 4.908 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCc2c(F)cccc2F)cs1 ZINC001492675998 1066811426 /nfs/dbraw/zinc/81/14/26/1066811426.db2.gz REKIJOUETXAVRG-UHFFFAOYSA-N 0 0 461.582 4.549 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001457333063 1066811828 /nfs/dbraw/zinc/81/18/28/1066811828.db2.gz AOXRWNXQXSZFDN-WMLDXEAASA-N 0 0 456.391 4.570 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001545995415 1066811970 /nfs/dbraw/zinc/81/19/70/1066811970.db2.gz RXOIVSHSXYWGKU-UXHICEINSA-N 0 0 473.637 4.604 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001545995414 1066812235 /nfs/dbraw/zinc/81/22/35/1066812235.db2.gz RXOIVSHSXYWGKU-PMACEKPBSA-N 0 0 473.637 4.604 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n(C)n1 ZINC001457339699 1066813060 /nfs/dbraw/zinc/81/30/60/1066813060.db2.gz CAKJHNQHNNUYEO-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]4CCCC[C@@H]4C3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492676417 1066813171 /nfs/dbraw/zinc/81/31/71/1066813171.db2.gz FHHJCUQIZIVWOM-WOJBJXKFSA-N 0 0 488.702 4.955 20 0 JJADRN C[C@H]1CCCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc21 ZINC001447477465 1066813502 /nfs/dbraw/zinc/81/35/02/1066813502.db2.gz NERQYZAPSODLIJ-IBGZPJMESA-N 0 0 450.583 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)cs1 ZINC001492676566 1066813688 /nfs/dbraw/zinc/81/36/88/1066813688.db2.gz IZLAJCPVVPTOPS-SJLPKXTDSA-N 0 0 474.675 4.564 20 0 JJADRN O=C(c1scc(Br)c1Br)N1CCO[C@H](CCc2ccccc2)C1 ZINC001447484645 1066814034 /nfs/dbraw/zinc/81/40/34/1066814034.db2.gz MTJZOZKYGXOATM-CYBMUJFWSA-N 0 0 459.203 4.747 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001545996543 1066814064 /nfs/dbraw/zinc/81/40/64/1066814064.db2.gz XRCUYAILUXAIOR-DENIHFKCSA-N 0 0 452.423 4.960 20 0 JJADRN COc1cc(CC(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC001447485544 1066814131 /nfs/dbraw/zinc/81/41/31/1066814131.db2.gz JSUFATSVJWEQQY-CQSZACIVSA-N 0 0 451.363 4.781 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492676764 1066814412 /nfs/dbraw/zinc/81/44/12/1066814412.db2.gz OCYHQTOVUTWHLW-HOTGVXAUSA-N 0 0 475.556 4.567 20 0 JJADRN CCCC[C@H](CCC)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001457352219 1066814519 /nfs/dbraw/zinc/81/45/19/1066814519.db2.gz USRQKGAVVZOWNT-NRFANRHFSA-N 0 0 458.624 4.925 20 0 JJADRN COc1ccc(Br)c(C(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)c1 ZINC001457352257 1066814533 /nfs/dbraw/zinc/81/45/33/1066814533.db2.gz UVJXJVIGYZJLES-NSHDSACASA-N 0 0 455.146 4.956 20 0 JJADRN Cc1cc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c(C)n1Cc1ccccc1 ZINC001447486332 1066814561 /nfs/dbraw/zinc/81/45/61/1066814561.db2.gz FJJCHAWZBKLMLR-UHFFFAOYSA-N 0 0 451.368 4.802 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)CCCOc1ccc(I)cc1 ZINC001457350433 1066814584 /nfs/dbraw/zinc/81/45/84/1066814584.db2.gz REMFZVGNWCAEMJ-UHFFFAOYSA-N 0 0 455.340 4.784 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CCc2nccc(C(F)(F)F)n2)CCO1 ZINC001546089587 1066814631 /nfs/dbraw/zinc/81/46/31/1066814631.db2.gz RQYPDFKFOUSEJV-NRFANRHFSA-N 0 0 480.922 4.655 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC001457349424 1066814639 /nfs/dbraw/zinc/81/46/39/1066814639.db2.gz YEUQLZBRCBPFOD-CQSZACIVSA-N 0 0 456.905 4.719 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)OC ZINC001545996838 1066815877 /nfs/dbraw/zinc/81/58/77/1066815877.db2.gz FGQTXOOWVQCQSJ-HXUWFJFHSA-N 0 0 476.547 4.659 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457356809 1066815912 /nfs/dbraw/zinc/81/59/12/1066815912.db2.gz NIJPMKXGSQPIDT-GOSISDBHSA-N 0 0 453.167 4.901 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(F)(F)F)cc2)cc1 ZINC001457358242 1066815964 /nfs/dbraw/zinc/81/59/64/1066815964.db2.gz FDDBDYKBHIWNEJ-QRWLVFNGSA-N 0 0 470.513 4.689 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1=O ZINC001457361441 1066816664 /nfs/dbraw/zinc/81/66/64/1066816664.db2.gz QMRXMZDSBWZIHQ-XMMPIXPASA-N 0 0 451.929 4.863 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC001457361440 1066816685 /nfs/dbraw/zinc/81/66/85/1066816685.db2.gz NNWKYRUIAOFLNX-OAQYLSRUSA-N 0 0 459.464 4.859 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1 ZINC001457362404 1066817002 /nfs/dbraw/zinc/81/70/02/1066817002.db2.gz WDZRJLKVTLRLQZ-OAQYLSRUSA-N 0 0 454.958 4.832 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492677932 1066817077 /nfs/dbraw/zinc/81/70/77/1066817077.db2.gz FUUKTCFBYSBGOZ-UHFFFAOYSA-N 0 0 456.563 4.784 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492677580 1066817176 /nfs/dbraw/zinc/81/71/76/1066817176.db2.gz ATTVRPLPAMVCGJ-LJQANCHMSA-N 0 0 488.702 4.955 20 0 JJADRN CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCN1Cc1ccccc1 ZINC001447515202 1066817190 /nfs/dbraw/zinc/81/71/90/1066817190.db2.gz XNAQAZOTAUQQGZ-FQEVSTJZSA-N 0 0 456.999 4.605 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1scnc1C)NC(=O)OC(C)(C)C ZINC001545996947 1066817428 /nfs/dbraw/zinc/81/74/28/1066817428.db2.gz HJKAJCCETVNVPK-IBGZPJMESA-N 0 0 488.633 4.713 20 0 JJADRN Cc1cccc(C(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1Br ZINC001457364808 1066817832 /nfs/dbraw/zinc/81/78/32/1066817832.db2.gz PEBSAWMLODBEBI-OPAMFIHVSA-N 0 0 451.405 4.915 20 0 JJADRN C/C=C\C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC ZINC001447521249 1066817855 /nfs/dbraw/zinc/81/78/55/1066817855.db2.gz LHZWCECOLKFFIN-XOYLTFLUSA-N 0 0 454.596 4.985 20 0 JJADRN C[Si](C)(CNC(=O)c1cccc(OCc2ccccc2Br)c1)c1ccccc1 ZINC001447517596 1066817990 /nfs/dbraw/zinc/81/79/90/1066817990.db2.gz QARRHDVNRBCTOW-UHFFFAOYSA-N 0 0 454.440 4.913 20 0 JJADRN CN(CC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c2C1)c1nc2ccccc2s1 ZINC001457369943 1066818227 /nfs/dbraw/zinc/81/82/27/1066818227.db2.gz MKULPADKPTVRLX-UHFFFAOYSA-N 0 0 452.580 4.664 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001492678337 1066818319 /nfs/dbraw/zinc/81/83/19/1066818319.db2.gz WUONEGGSPIRMDB-UHFFFAOYSA-N 0 0 486.686 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001447522299 1066818491 /nfs/dbraw/zinc/81/84/91/1066818491.db2.gz IBRKZGFHLVDZQU-JJXSEGSLSA-N 0 0 464.431 4.511 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCc3cc(C(C)C)ccc3C2)cc1 ZINC001457375061 1066818687 /nfs/dbraw/zinc/81/86/87/1066818687.db2.gz QDUKXBMPACTZHC-UHFFFAOYSA-N 0 0 450.608 4.731 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)c1cc(F)ccc1N(C)C ZINC001457376738 1066818742 /nfs/dbraw/zinc/81/87/42/1066818742.db2.gz ZDVQWBRNSNXJOA-CYBMUJFWSA-N 0 0 451.336 4.503 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492678723 1066819402 /nfs/dbraw/zinc/81/94/02/1066819402.db2.gz MYSLKVLMDUSDNR-DLBZAZTESA-N 0 0 462.664 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492678724 1066819481 /nfs/dbraw/zinc/81/94/81/1066819481.db2.gz MYSLKVLMDUSDNR-IAGOWNOFSA-N 0 0 462.664 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)C3)n2Cc2cc(Br)cs2)cs1 ZINC001492678728 1066819524 /nfs/dbraw/zinc/81/95/24/1066819524.db2.gz NARDIJBBDRBSAG-LBPRGKRZSA-N 0 0 452.447 4.742 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492678725 1066819540 /nfs/dbraw/zinc/81/95/40/1066819540.db2.gz MYSLKVLMDUSDNR-IRXDYDNUSA-N 0 0 462.664 4.516 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)CCC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545997106 1066819763 /nfs/dbraw/zinc/81/97/63/1066819763.db2.gz JWZXYQITGQUDAO-QHCPKHFHSA-N 0 0 485.673 4.734 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)cs1 ZINC001492678968 1066820019 /nfs/dbraw/zinc/82/00/19/1066820019.db2.gz RBUYQEOFXUTFJC-PRUHCIRGSA-N 0 0 494.665 4.841 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCCCCNC(=O)OC(C)(C)C)OCC3 ZINC001447550052 1066820066 /nfs/dbraw/zinc/82/00/66/1066820066.db2.gz GAYJQEHJZGLNAG-AREMUKBSSA-N 0 0 457.615 4.720 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(CCCO)c1)c1cccc(C(F)(F)F)c1 ZINC001447549784 1066820096 /nfs/dbraw/zinc/82/00/96/1066820096.db2.gz HEOZQTGBIQKNGT-LJQANCHMSA-N 0 0 452.473 4.835 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(F)(F)F ZINC001457390650 1066820878 /nfs/dbraw/zinc/82/08/78/1066820878.db2.gz UOTKRQUOIITSCS-IBGZPJMESA-N 0 0 459.859 4.960 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC[C@@H]1c1ccccc1 ZINC001457394514 1066821231 /nfs/dbraw/zinc/82/12/31/1066821231.db2.gz HZEFOONCVQCTFC-KAGYGMCKSA-N 0 0 456.533 4.935 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001447557197 1066821462 /nfs/dbraw/zinc/82/14/62/1066821462.db2.gz VKXXAMACTLRHNT-UHFFFAOYSA-N 0 0 457.518 4.793 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCCC2(C)C)cs1 ZINC001492679899 1066821819 /nfs/dbraw/zinc/82/18/19/1066821819.db2.gz UNDYKNRKTAALIV-QGZVFWFLSA-N 0 0 470.609 4.535 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NC[C@H](C)Oc3ccccc3Br)c2)cn1 ZINC001457396478 1066821861 /nfs/dbraw/zinc/82/18/61/1066821861.db2.gz XLGDDMPJLWVFTR-KRWDZBQOSA-N 0 0 455.352 4.929 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C[C@H](O)C(F)(F)F)cs2)cc1 ZINC001447560025 1066822009 /nfs/dbraw/zinc/82/20/09/1066822009.db2.gz DRUOMYLUNLQRLJ-IBGZPJMESA-N 0 0 450.482 4.774 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccccc1 ZINC001457400179 1066822571 /nfs/dbraw/zinc/82/25/71/1066822571.db2.gz KVSPUUWBCJXSIE-GAKIBJFNSA-N 0 0 453.970 4.935 20 0 JJADRN CCCCOCCN(C(=O)c1ccc(-n2cncn2)c(C)c1)c1cccc(Br)c1 ZINC001457402722 1066823166 /nfs/dbraw/zinc/82/31/66/1066823166.db2.gz WWCMOHISXVOUMD-UHFFFAOYSA-N 0 0 457.372 4.802 20 0 JJADRN CON(C)S(=O)(=O)c1cccc(C(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)c1 ZINC001457400588 1066823039 /nfs/dbraw/zinc/82/30/39/1066823039.db2.gz MNKNTTBKYZYPQA-QGZVFWFLSA-N 0 0 458.967 4.930 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001457400617 1066823087 /nfs/dbraw/zinc/82/30/87/1066823087.db2.gz VIZIPNJRYMSYDK-GAKIBJFNSA-N 0 0 467.651 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)Cc3ccc(Br)cc3Cl)CC2)C1 ZINC001457404971 1066823600 /nfs/dbraw/zinc/82/36/00/1066823600.db2.gz FNBGVIUBYQSBND-CQSZACIVSA-N 0 0 457.796 4.551 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)cs1 ZINC001492681685 1066823651 /nfs/dbraw/zinc/82/36/51/1066823651.db2.gz DHQKEOMVHBPJQK-AREMUKBSSA-N 0 0 483.682 4.551 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(Cc4cccs4)CC3)n2CCCC(C)(C)C)cs1 ZINC001492681133 1066823665 /nfs/dbraw/zinc/82/36/65/1066823665.db2.gz LIHSZCQDZNSDMB-UHFFFAOYSA-N 0 0 458.701 4.844 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001492680953 1066823703 /nfs/dbraw/zinc/82/37/03/1066823703.db2.gz GMQNLFPQWZSKAJ-JKSUJKDBSA-N 0 0 496.578 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC001457405730 1066823663 /nfs/dbraw/zinc/82/36/63/1066823663.db2.gz HFTNZKUIZXLYCN-GHTZIAJQSA-N 0 0 477.026 4.590 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001447573892 1066823688 /nfs/dbraw/zinc/82/36/88/1066823688.db2.gz PFAOAWKSOZWYAI-IBGZPJMESA-N 0 0 457.596 4.862 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(NC(=O)OCC)ccc1Cl ZINC001447570536 1066823749 /nfs/dbraw/zinc/82/37/49/1066823749.db2.gz KPUZZNUCDVTHEO-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545997751 1066823766 /nfs/dbraw/zinc/82/37/66/1066823766.db2.gz VGNABURVCIEFKS-XPWALMASSA-N 0 0 483.657 4.628 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CCCC(C)C)cs1 ZINC001492680993 1066823748 /nfs/dbraw/zinc/82/37/48/1066823748.db2.gz HTUYKDMNNNQMMM-UHFFFAOYSA-N 0 0 456.635 4.531 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001492680951 1066823762 /nfs/dbraw/zinc/82/37/62/1066823762.db2.gz GMQNLFPQWZSKAJ-HOTGVXAUSA-N 0 0 496.578 4.649 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CCC2=CCCCC2)cs1 ZINC001492681346 1066823782 /nfs/dbraw/zinc/82/37/82/1066823782.db2.gz UREYHNIWCHXMBB-UHFFFAOYSA-N 0 0 486.583 4.547 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCc2csc(C(C)(C)C)n2)cs1 ZINC001492681734 1066824268 /nfs/dbraw/zinc/82/42/68/1066824268.db2.gz FRHWUCOKXGPTEC-IBGZPJMESA-N 0 0 488.727 4.882 20 0 JJADRN O=C(c1cccn(C2CC2)c1=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447576512 1066824299 /nfs/dbraw/zinc/82/42/99/1066824299.db2.gz JVGRWUWNKACLQS-JOCHJYFZSA-N 0 0 456.464 4.578 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545997832 1066824333 /nfs/dbraw/zinc/82/43/33/1066824333.db2.gz WYSRCFDVSVFYEY-HXUWFJFHSA-N 0 0 484.670 4.882 20 0 JJADRN COc1ccc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)cc1 ZINC001457411806 1066824724 /nfs/dbraw/zinc/82/47/24/1066824724.db2.gz QHYUAFHJRFGMNG-NRFANRHFSA-N 0 0 452.551 4.719 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC001457410527 1066824825 /nfs/dbraw/zinc/82/48/25/1066824825.db2.gz XJRZNRCXHDPASN-UHFFFAOYSA-N 0 0 459.812 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccccc2OC(F)F)cs1 ZINC001492682170 1066824945 /nfs/dbraw/zinc/82/49/45/1066824945.db2.gz QYPFBPMKHUCXCU-DEOSSOPVSA-N 0 0 491.608 4.925 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)Oc1ccccc1F ZINC001545997939 1066825574 /nfs/dbraw/zinc/82/55/74/1066825574.db2.gz YYWHHEFPWQFESX-JOCHJYFZSA-N 0 0 485.648 4.845 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001457414741 1066826121 /nfs/dbraw/zinc/82/61/21/1066826121.db2.gz LZLNBGCMKLBXNS-SFHVURJKSA-N 0 0 451.794 4.957 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(CC)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545997977 1066826256 /nfs/dbraw/zinc/82/62/56/1066826256.db2.gz ZOMUIUAXANBCQX-NRFANRHFSA-N 0 0 459.610 4.938 20 0 JJADRN Cn1cc(CNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c(-c2ccccc2)n1 ZINC001447599699 1066827180 /nfs/dbraw/zinc/82/71/80/1066827180.db2.gz ZUKCASCXDSAAND-UHFFFAOYSA-N 0 0 452.440 4.570 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCc2ccc(F)c(F)c2F)cs1 ZINC001492683878 1066827195 /nfs/dbraw/zinc/82/71/95/1066827195.db2.gz KQZXYMDFSKTSLJ-UHFFFAOYSA-N 0 0 467.586 4.626 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(C)C2CC2)cs1 ZINC001492683898 1066827233 /nfs/dbraw/zinc/82/72/33/1066827233.db2.gz LAMJBJNRNFBQFX-GOSISDBHSA-N 0 0 474.675 4.564 20 0 JJADRN O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)Nc1ncccc1O ZINC001447599994 1066827340 /nfs/dbraw/zinc/82/73/40/1066827340.db2.gz BHOPYWPXBLAXLU-UHFFFAOYSA-N 0 0 458.465 4.935 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1cc(F)cc(Br)c1F ZINC001457419478 1066827331 /nfs/dbraw/zinc/82/73/31/1066827331.db2.gz UOEGVTMKIRPZQC-OAHLLOKOSA-N 0 0 458.608 4.561 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001457419548 1066827430 /nfs/dbraw/zinc/82/74/30/1066827430.db2.gz VRDYJZZTZSYTJH-ZGXWSNOMSA-N 0 0 471.598 4.862 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)(C)C ZINC001457423995 1066828578 /nfs/dbraw/zinc/82/85/78/1066828578.db2.gz FPYKJTVHMDWYMI-IFXJQAMLSA-N 0 0 457.368 4.646 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)(C)C ZINC001457423997 1066828713 /nfs/dbraw/zinc/82/87/13/1066828713.db2.gz FPYKJTVHMDWYMI-LIRRHRJNSA-N 0 0 457.368 4.646 20 0 JJADRN Cc1[nH]nc(NC(=O)CCCc2ccc(Br)cc2)c1-c1ccc2c(c1)OCCO2 ZINC001457424276 1066828828 /nfs/dbraw/zinc/82/88/28/1066828828.db2.gz OPCXQZGRDSGGQQ-UHFFFAOYSA-N 0 0 456.340 4.880 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1 ZINC001447616879 1066829151 /nfs/dbraw/zinc/82/91/51/1066829151.db2.gz OVRZGXBHRHBYCX-CQSZACIVSA-N 0 0 450.358 4.692 20 0 JJADRN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC001447616492 1066829173 /nfs/dbraw/zinc/82/91/73/1066829173.db2.gz ZOYBPFHUZDHZHW-INIZCTEOSA-N 0 0 456.905 4.973 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997579 1066829877 /nfs/dbraw/zinc/82/98/77/1066829877.db2.gz RQJBUTJNOIDVCC-GHTZIAJQSA-N 0 0 459.610 4.938 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)c2)cc1 ZINC001457426468 1066829866 /nfs/dbraw/zinc/82/98/66/1066829866.db2.gz PCNDWCZREGLALJ-RTBURBONSA-N 0 0 450.604 4.963 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492685545 1066830268 /nfs/dbraw/zinc/83/02/68/1066830268.db2.gz IJFSDJPLPAZIJM-AUUYWEPGSA-N 0 0 499.534 4.666 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC(C)(C)O)C2)no1 ZINC001492685895 1066830303 /nfs/dbraw/zinc/83/03/03/1066830303.db2.gz NNYCMRQEJCZWDS-LJQANCHMSA-N 0 0 466.630 4.554 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3nc(C(C)C)cs3)C2)no1 ZINC001492685575 1066830388 /nfs/dbraw/zinc/83/03/88/1066830388.db2.gz WLQXNGCYTAHZMY-KRWDZBQOSA-N 0 0 457.648 4.645 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)ccc1F ZINC001447621280 1066830311 /nfs/dbraw/zinc/83/03/11/1066830311.db2.gz XPMANDVISTYLJK-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)n[nH]1 ZINC001492686384 1066830649 /nfs/dbraw/zinc/83/06/49/1066830649.db2.gz AHJAEPCVMFHPII-BSLVTKGXSA-N 0 0 451.619 4.719 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545998910 1066830801 /nfs/dbraw/zinc/83/08/01/1066830801.db2.gz DXOXOPUMYPZKIT-XUZZJYLKSA-N 0 0 490.652 4.951 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)c2cccc(Cl)c2O1 ZINC001447628200 1066831400 /nfs/dbraw/zinc/83/14/00/1066831400.db2.gz KWUYRSBHMWUEFF-CQSZACIVSA-N 0 0 451.976 4.568 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@@H](O)CCc3ccccc3)cc12 ZINC001447629298 1066831452 /nfs/dbraw/zinc/83/14/52/1066831452.db2.gz JKBUVFIJNKJNOO-IBGZPJMESA-N 0 0 453.995 4.831 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cs1 ZINC001492686465 1066831436 /nfs/dbraw/zinc/83/14/36/1066831436.db2.gz BNKRWXUNNCZXIB-INIZCTEOSA-N 0 0 460.598 4.571 20 0 JJADRN Nc1cc(Br)cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1N ZINC001447629991 1066831538 /nfs/dbraw/zinc/83/15/38/1066831538.db2.gz GRJCABXWEHFKLT-CYBMUJFWSA-N 0 0 456.184 4.666 20 0 JJADRN CCN(CC(=O)NCC[C@@H]1CCO[C@H](C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447629497 1066831564 /nfs/dbraw/zinc/83/15/64/1066831564.db2.gz INRCFCZTDRUQCU-WOJBJXKFSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)cs1 ZINC001492686957 1066832041 /nfs/dbraw/zinc/83/20/41/1066832041.db2.gz PSSHQNVPCRKQKH-HOTGVXAUSA-N 0 0 459.591 4.569 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](COC(C)C)C2)cs1 ZINC001492686917 1066832077 /nfs/dbraw/zinc/83/20/77/1066832077.db2.gz OONMRQXBVIWVAF-REWPJTCUSA-N 0 0 499.681 4.673 20 0 JJADRN Cc1ccc(I)c(OC(=O)c2cc(-c3cnc4[nH]ccc4c3)ccn2)c1 ZINC001457442287 1066832584 /nfs/dbraw/zinc/83/25/84/1066832584.db2.gz JQPRUWIVEYEWBT-UHFFFAOYSA-N 0 0 455.255 4.709 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(OCC(F)(F)F)cc2)ccn1 ZINC001457441447 1066832607 /nfs/dbraw/zinc/83/26/07/1066832607.db2.gz QXAODILCEORYRE-UHFFFAOYSA-N 0 0 459.424 4.735 20 0 JJADRN Cc1nn(C)cc1CNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001447631530 1066832596 /nfs/dbraw/zinc/83/25/96/1066832596.db2.gz ULGDCULHCRFUPJ-NQSCKRDGSA-N 0 0 457.640 4.755 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCS[C@H](C)C2)cs1 ZINC001492687152 1066832580 /nfs/dbraw/zinc/83/25/80/1066832580.db2.gz UCVRSONCIYIXCI-SJLPKXTDSA-N 0 0 457.669 4.984 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N(C)CCc2nccs2)cs1 ZINC001492687306 1066832619 /nfs/dbraw/zinc/83/26/19/1066832619.db2.gz FMGZCSOSPWKHDO-UHFFFAOYSA-N 0 0 495.497 4.912 20 0 JJADRN O=C(Nc1ccc(C(=O)N2NC(=O)C[C@@H]2c2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001457447965 1066832969 /nfs/dbraw/zinc/83/29/69/1066832969.db2.gz GJPXQYZBKDBJTG-HXUWFJFHSA-N 0 0 454.313 4.864 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447633885 1066832918 /nfs/dbraw/zinc/83/29/18/1066832918.db2.gz OOUJFRPWSLCSFU-DUFRMZEJSA-N 0 0 468.516 4.665 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N(C)[C@H]2CCSC2)cs1 ZINC001492687517 1066832952 /nfs/dbraw/zinc/83/29/52/1066832952.db2.gz IHEKILBISBFENB-KRWDZBQOSA-N 0 0 464.458 4.657 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(I)cc1O ZINC001447633554 1066832943 /nfs/dbraw/zinc/83/29/43/1066832943.db2.gz ZSHFCTZLBFXOEW-UHFFFAOYSA-N 0 0 451.289 4.758 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(CC)[C@H]3c3cccc(C)c3)c(Cl)c2)n1 ZINC001447634449 1066832980 /nfs/dbraw/zinc/83/29/80/1066832980.db2.gz OMITUFMWSWGQRJ-JTSKRJEESA-N 0 0 452.942 4.809 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2scnc2C)cs1 ZINC001492687436 1066833072 /nfs/dbraw/zinc/83/30/72/1066833072.db2.gz XMUBKLGJUAXWHG-OAHLLOKOSA-N 0 0 472.615 4.966 20 0 JJADRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001457454896 1066833649 /nfs/dbraw/zinc/83/36/49/1066833649.db2.gz TTZRTGWXPQEUMC-NQIIRXRSSA-N 0 0 453.583 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001447635144 1066833657 /nfs/dbraw/zinc/83/36/57/1066833657.db2.gz SXCISTTZSRLUQB-IBGZPJMESA-N 0 0 454.489 4.563 20 0 JJADRN Nc1ncc(Br)cc1CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001457453204 1066833691 /nfs/dbraw/zinc/83/36/91/1066833691.db2.gz SEMCAUDXOWPUBL-UHFFFAOYSA-N 0 0 456.218 4.515 20 0 JJADRN O=C(c1ccc(COc2ccccc2Br)cc1)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001457451400 1066833759 /nfs/dbraw/zinc/83/37/59/1066833759.db2.gz LJYAYIMZVWUGIC-HXUWFJFHSA-N 0 0 451.320 4.647 20 0 JJADRN Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4)c3)C2)c1 ZINC001447636442 1066833857 /nfs/dbraw/zinc/83/38/57/1066833857.db2.gz WXAVYVNHCQGCQC-OAQYLSRUSA-N 0 0 452.551 4.873 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457456030 1066834098 /nfs/dbraw/zinc/83/40/98/1066834098.db2.gz DBDSTNYVXXDKEY-OAQYLSRUSA-N 0 0 453.880 4.764 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457455904 1066834129 /nfs/dbraw/zinc/83/41/29/1066834129.db2.gz AWGIVAVXLSGDNS-KOSHJBKYSA-N 0 0 451.954 4.667 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457455913 1066834141 /nfs/dbraw/zinc/83/41/41/1066834141.db2.gz AWGIVAVXLSGDNS-UUOWRZLLSA-N 0 0 451.954 4.667 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(Br)c2)cs1 ZINC001492688362 1066834389 /nfs/dbraw/zinc/83/43/89/1066834389.db2.gz BNVMMAUDYIFBKI-IBGZPJMESA-N 0 0 476.444 4.926 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1c(CC)nc2ccc(Cl)cn21 ZINC001457458162 1066834748 /nfs/dbraw/zinc/83/47/48/1066834748.db2.gz QKXMOVAXEHXLJJ-UHFFFAOYSA-N 0 0 454.958 4.827 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)CCc1ncc(-c3ccccc3)o1)OCO2 ZINC001457458549 1066834786 /nfs/dbraw/zinc/83/47/86/1066834786.db2.gz CEOZZADGVVJPDH-UHFFFAOYSA-N 0 0 451.479 4.989 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)s1 ZINC001457459372 1066834820 /nfs/dbraw/zinc/83/48/20/1066834820.db2.gz DXDVGGDEENGSCP-MRVPVSSYSA-N 0 0 450.273 4.849 20 0 JJADRN COc1ccc2[nH]c(NC(=O)c3ccc(OS(=O)(=O)c4cc(C)ccc4C)cc3)cc2c1 ZINC001447642595 1066834980 /nfs/dbraw/zinc/83/49/80/1066834980.db2.gz GUMUVTXOIBRBFE-UHFFFAOYSA-N 0 0 450.516 4.813 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(Br)c2)cs1 ZINC001492688363 1066835117 /nfs/dbraw/zinc/83/51/17/1066835117.db2.gz BNVMMAUDYIFBKI-LJQANCHMSA-N 0 0 476.444 4.926 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc(CN4CCCCCC4)cs3)n[nH]2)c1C ZINC001457459695 1066835166 /nfs/dbraw/zinc/83/51/66/1066835166.db2.gz KHVAWXLYZXNDBJ-OAHLLOKOSA-N 0 0 455.632 4.946 20 0 JJADRN CCCn1ccnc1CCCN(C)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001447649611 1066835361 /nfs/dbraw/zinc/83/53/61/1066835361.db2.gz DLGXNKGZBCRMJR-UHFFFAOYSA-N 0 0 453.431 4.945 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492689950 1066835576 /nfs/dbraw/zinc/83/55/76/1066835576.db2.gz HSXRBONKQIWYAR-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN Cc1nc(CCn2c(C3CCCC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001492689314 1066835638 /nfs/dbraw/zinc/83/56/38/1066835638.db2.gz QMOQHUYITQYTTF-INIZCTEOSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C(C)C)C2)cs1 ZINC001492689186 1066835687 /nfs/dbraw/zinc/83/56/87/1066835687.db2.gz ZARXPBYKJNQCQD-IBGZPJMESA-N 0 0 476.444 4.576 20 0 JJADRN Cc1nc(CCn2c(-c3cccc4cccnc43)nnc2N(C)CCOC(C)(C)C)cs1 ZINC001492689208 1066835722 /nfs/dbraw/zinc/83/57/22/1066835722.db2.gz ZNKWTXWCGKNDNP-UHFFFAOYSA-N 0 0 450.612 4.752 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)CSc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC001457460526 1066835852 /nfs/dbraw/zinc/83/58/52/1066835852.db2.gz KYRXDGCKBXREPL-UHFFFAOYSA-N 0 0 458.512 4.843 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)Nc2nc(CN3CCCCCC3)cs2)c(Br)c1 ZINC001457460797 1066835857 /nfs/dbraw/zinc/83/58/57/1066835857.db2.gz QNRSKFVZGMTZDG-OAHLLOKOSA-N 0 0 452.418 4.996 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545999171 1066836047 /nfs/dbraw/zinc/83/60/47/1066836047.db2.gz JBLNOBLIUMMTHB-SFTDATJTSA-N 0 0 471.646 4.663 20 0 JJADRN O=C(Nc1sccc1C(=O)N1CCO[C@@H](COc2ccccc2)C1)c1ccccc1Cl ZINC001447651859 1066836103 /nfs/dbraw/zinc/83/61/03/1066836103.db2.gz FBAKOIWAQUFVQE-QGZVFWFLSA-N 0 0 456.951 4.574 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N(CCO)Cc1cc(Br)cs1 ZINC001447652493 1066836168 /nfs/dbraw/zinc/83/61/68/1066836168.db2.gz PLBDIXMUFBGZGC-UHFFFAOYSA-N 0 0 450.320 4.873 20 0 JJADRN CCOc1cc(O)ccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001447651420 1066836194 /nfs/dbraw/zinc/83/61/94/1066836194.db2.gz DCJMDTCEICJWKA-UHFFFAOYSA-N 0 0 453.539 4.913 20 0 JJADRN Cc1nc(CCn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)cs1 ZINC001492690566 1066836252 /nfs/dbraw/zinc/83/62/52/1066836252.db2.gz RXLYTYNMEGZMIZ-OAHLLOKOSA-N 0 0 454.550 4.747 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)s1 ZINC001457463449 1066836354 /nfs/dbraw/zinc/83/63/54/1066836354.db2.gz QXBRKRADKQBPJH-DOMZBBRYSA-N 0 0 454.390 4.657 20 0 JJADRN COC(=O)[C@@H](C)[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC001457464677 1066836358 /nfs/dbraw/zinc/83/63/58/1066836358.db2.gz FUUYWFHCVFFGJA-OYHNWAKOSA-N 0 0 456.336 4.648 20 0 JJADRN COC(=O)[C@H](C)[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC001457464682 1066836360 /nfs/dbraw/zinc/83/63/60/1066836360.db2.gz FUUYWFHCVFFGJA-QRQCRPRQSA-N 0 0 456.336 4.648 20 0 JJADRN C[S@](=O)c1ccc(CNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1 ZINC001457468257 1066837385 /nfs/dbraw/zinc/83/73/85/1066837385.db2.gz RTYXSERDDWVAAB-KMRXNPHXSA-N 0 0 458.377 4.623 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC001447656541 1066837538 /nfs/dbraw/zinc/83/75/38/1066837538.db2.gz OLJZEQNHPQATCC-QGZVFWFLSA-N 0 0 454.792 4.537 20 0 JJADRN CCc1cc(O)ccc1NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001447658363 1066837883 /nfs/dbraw/zinc/83/78/83/1066837883.db2.gz AJDSUGJCMXHAMD-OAHLLOKOSA-N 0 0 452.473 4.837 20 0 JJADRN CCOc1cc(O)ccc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447657130 1066837938 /nfs/dbraw/zinc/83/79/38/1066837938.db2.gz UAPCHKMUWYKBDX-UHFFFAOYSA-N 0 0 459.593 4.642 20 0 JJADRN C/C(=C\C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC001447659731 1066837965 /nfs/dbraw/zinc/83/79/65/1066837965.db2.gz DHJMEMLOSHEIER-HFQYIWAZSA-N 0 0 456.302 4.839 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC001447657242 1066838003 /nfs/dbraw/zinc/83/80/03/1066838003.db2.gz QIQLJFLJWYUFAU-CJFMBICVSA-N 0 0 456.558 4.957 20 0 JJADRN Cc1nc(CCn2c(N3CCO[C@H](c4cccc(OC(F)F)c4)C3)nnc2C(C)(C)C)cs1 ZINC001492692573 1066838107 /nfs/dbraw/zinc/83/81/07/1066838107.db2.gz XRUXDFTUWNYEGC-IBGZPJMESA-N 0 0 477.581 4.763 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC[S@@]1=O ZINC001447662808 1066838592 /nfs/dbraw/zinc/83/85/92/1066838592.db2.gz JNNOIGOMHCTGKT-MUWSIPGASA-N 0 0 454.379 4.621 20 0 JJADRN Cc1cc(C(=O)CCC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(C)s1 ZINC001447660708 1066838616 /nfs/dbraw/zinc/83/86/16/1066838616.db2.gz LBRIOQHBYSHUNP-UHFFFAOYSA-N 0 0 455.498 4.737 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001457471428 1066838561 /nfs/dbraw/zinc/83/85/61/1066838561.db2.gz FJJDORANFNONCM-IQVDJAOASA-N 0 0 456.608 4.945 20 0 JJADRN COc1cccc([C@H](NC(=O)CCc2cc(OC)cc(OC)c2)c2cc(F)ccc2OC)c1 ZINC001457471509 1066838579 /nfs/dbraw/zinc/83/85/79/1066838579.db2.gz HDIPLQJCPYTNCT-SANMLTNESA-N 0 0 453.510 4.699 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)c1 ZINC001447665114 1066839129 /nfs/dbraw/zinc/83/91/29/1066839129.db2.gz QMHKZNNGHBYKGK-UHFFFAOYSA-N 0 0 452.576 4.656 20 0 JJADRN Cc1oc(C(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC001447665138 1066839240 /nfs/dbraw/zinc/83/92/40/1066839240.db2.gz QPVFZMRIEQOSEV-UHFFFAOYSA-N 0 0 458.967 4.850 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3CCc3ccc(Cl)s3)CC2)cs1 ZINC001492693726 1066839324 /nfs/dbraw/zinc/83/93/24/1066839324.db2.gz OUQYJYRBCCFBAY-UHFFFAOYSA-N 0 0 465.092 4.521 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)Oc1cccc(C(F)(F)F)c1 ZINC001457478532 1066840100 /nfs/dbraw/zinc/84/01/00/1066840100.db2.gz SFHRKKXRXKMJOB-NXHRZFHOSA-N 0 0 459.505 4.506 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2ccn(CCc3ccccc3)n2)c2cc(F)ccc2OC)c1 ZINC001457480143 1066840238 /nfs/dbraw/zinc/84/02/38/1066840238.db2.gz UAIKBJOCZNIJSD-AREMUKBSSA-N 0 0 459.521 4.802 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)c1ccc(C)cc1 ZINC001457477106 1066840245 /nfs/dbraw/zinc/84/02/45/1066840245.db2.gz NROWRWUKHLGWIL-XMMPIXPASA-N 0 0 456.498 4.663 20 0 JJADRN C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001447676062 1066840338 /nfs/dbraw/zinc/84/03/38/1066840338.db2.gz AXCQYQPSNBYXMV-CQSZACIVSA-N 0 0 458.432 4.935 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc(Br)c1F ZINC001447680461 1066840357 /nfs/dbraw/zinc/84/03/57/1066840357.db2.gz LHKMOFFWIQJFCZ-JTQLQIEISA-N 0 0 456.695 4.876 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1 ZINC001447686813 1066840988 /nfs/dbraw/zinc/84/09/88/1066840988.db2.gz FGCCSAMUZSXOJE-UHFFFAOYSA-N 0 0 459.793 4.526 20 0 JJADRN CCCc1c(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cnn1-c1ccc(C)cc1 ZINC001447686745 1066841509 /nfs/dbraw/zinc/84/15/09/1066841509.db2.gz GNNXJDBCUYXOKH-LAUBAEHRSA-N 0 0 456.587 4.832 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492695260 1066841697 /nfs/dbraw/zinc/84/16/97/1066841697.db2.gz UYXWSHCXBKMTDU-MRXNPFEDSA-N 0 0 484.573 4.651 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001457490420 1066841813 /nfs/dbraw/zinc/84/18/13/1066841813.db2.gz CPDUYXARUBMECZ-DLBZAZTESA-N 0 0 451.032 4.822 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[C@](C)(O)c2ccccc2)s1 ZINC001492695411 1066842156 /nfs/dbraw/zinc/84/21/56/1066842156.db2.gz AMAXYPOYLJAHOG-QHCPKHFHSA-N 0 0 469.014 4.693 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2ccco2)s1 ZINC001492695467 1066842183 /nfs/dbraw/zinc/84/21/83/1066842183.db2.gz COALNXGDTSBEOA-OAQYLSRUSA-N 0 0 461.950 4.640 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)c2C(F)(F)F)c1 ZINC001457492805 1066842275 /nfs/dbraw/zinc/84/22/75/1066842275.db2.gz AFZOJFANIOLFNJ-HNNXBMFYSA-N 0 0 455.440 4.664 20 0 JJADRN CN(C(=O)COC[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001457493774 1066842945 /nfs/dbraw/zinc/84/29/45/1066842945.db2.gz VFRWKBJFZJSAPR-FPOVZHCZSA-N 0 0 452.776 4.846 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1)O[C@@H](C)C2 ZINC001457494999 1066843076 /nfs/dbraw/zinc/84/30/76/1066843076.db2.gz XGAOJKAPLSWKHM-DUVNUKRYSA-N 0 0 458.580 4.692 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC001447692855 1066843433 /nfs/dbraw/zinc/84/34/33/1066843433.db2.gz BVWXZPKLUFTZMJ-OAHLLOKOSA-N 0 0 451.430 4.843 20 0 JJADRN O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1occc1CN1C(=O)Cc2ccccc21 ZINC001447694146 1066843459 /nfs/dbraw/zinc/84/34/59/1066843459.db2.gz RYUDZLUXVXUSOV-FQEVSTJZSA-N 0 0 459.329 4.529 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)c(Cl)c1 ZINC001457497726 1066843505 /nfs/dbraw/zinc/84/35/05/1066843505.db2.gz QVFHLUDLLMLPRP-UHFFFAOYSA-N 0 0 451.901 4.928 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001447694876 1066843959 /nfs/dbraw/zinc/84/39/59/1066843959.db2.gz TYSSHBFCHMYKGJ-IBGZPJMESA-N 0 0 450.391 4.820 20 0 JJADRN Cc1nc(-c2ccc(C(=O)NC[C@H](CO)Cc3ccccc3Br)s2)cs1 ZINC001447697017 1066843992 /nfs/dbraw/zinc/84/39/92/1066843992.db2.gz KZLKTQGOWZHNKI-CYBMUJFWSA-N 0 0 451.411 4.524 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1O ZINC001447696061 1066844036 /nfs/dbraw/zinc/84/40/36/1066844036.db2.gz IAKIQNJVDVYMLK-HXUWFJFHSA-N 0 0 456.292 4.700 20 0 JJADRN CC(C)(C)OC1CC(CCNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001447700828 1066844506 /nfs/dbraw/zinc/84/45/06/1066844506.db2.gz ILMJEMQUOIAARO-UHFFFAOYSA-N 0 0 450.579 4.625 20 0 JJADRN CC[C@@H](CN(C)C(=O)CNC(=O)CCc1ccc(C)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001447700020 1066844563 /nfs/dbraw/zinc/84/45/63/1066844563.db2.gz FHCHDWOPDLPXTR-SFHVURJKSA-N 0 0 451.394 4.667 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC001492696023 1066844571 /nfs/dbraw/zinc/84/45/71/1066844571.db2.gz DUFNTJAZXPWIBI-IEBWSBKVSA-N 0 0 497.669 4.557 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC(=O)N(C)C)s1 ZINC001492696007 1066844577 /nfs/dbraw/zinc/84/45/77/1066844577.db2.gz SZWGJVVZXVTQTL-UHFFFAOYSA-N 0 0 467.426 4.522 20 0 JJADRN C[C@H](CN(C)C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001447705407 1066845161 /nfs/dbraw/zinc/84/51/61/1066845161.db2.gz PSNGARMCXZUMDE-KZULUSFZSA-N 0 0 450.284 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)C(F)(F)c2ccccc2Br)C1 ZINC001447705120 1066845190 /nfs/dbraw/zinc/84/51/90/1066845190.db2.gz BMADPBSLPSBDCF-LJQANCHMSA-N 0 0 459.331 4.543 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)s1 ZINC001492696243 1066845270 /nfs/dbraw/zinc/84/52/70/1066845270.db2.gz ZLFFLRDRBQFGNV-OAHLLOKOSA-N 0 0 477.725 4.648 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001457505687 1066845510 /nfs/dbraw/zinc/84/55/10/1066845510.db2.gz NMAYZKYNACGEJS-BBWFWOEESA-N 0 0 457.434 4.805 20 0 JJADRN Cc1cc2sc(NC(=O)c3cnn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)nc2c(C)c1 ZINC001457504240 1066845552 /nfs/dbraw/zinc/84/55/52/1066845552.db2.gz FJDMEAGKDBVTHN-KRWDZBQOSA-N 0 0 455.584 4.934 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCC4(CCCCC4)O3)ccc2C)c1 ZINC001447714189 1066845698 /nfs/dbraw/zinc/84/56/98/1066845698.db2.gz AMFXEUFLGRTELO-JOCHJYFZSA-N 0 0 456.608 4.716 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447715156 1066845930 /nfs/dbraw/zinc/84/59/30/1066845930.db2.gz DBVWWBKEWZSQBH-KRWDZBQOSA-N 0 0 452.979 4.552 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CCCS2)s1 ZINC001492696617 1066845880 /nfs/dbraw/zinc/84/58/80/1066845880.db2.gz RXERYODLWLQUNI-LJQANCHMSA-N 0 0 481.489 4.733 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC001492696190 1066845901 /nfs/dbraw/zinc/84/59/01/1066845901.db2.gz XCYZUHZMYZQEAC-UHFFFAOYSA-N 0 0 474.512 4.731 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Cl)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001492696267 1066845920 /nfs/dbraw/zinc/84/59/20/1066845920.db2.gz ZZZAQUGZFCGHRY-GDLZYMKVSA-N 0 0 452.049 4.547 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H](C)C2)s1 ZINC001492696210 1066845965 /nfs/dbraw/zinc/84/59/65/1066845965.db2.gz XZHVXNCSFUAPOY-GDBMZVCRSA-N 0 0 476.444 4.924 20 0 JJADRN CS(=O)(=O)Nc1ccccc1CC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC001457506179 1066846027 /nfs/dbraw/zinc/84/60/27/1066846027.db2.gz KSOOYAJEJHIDBO-UHFFFAOYSA-N 0 0 453.545 4.641 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc(C(F)(F)F)c1 ZINC001457506782 1066846033 /nfs/dbraw/zinc/84/60/33/1066846033.db2.gz HOCZXXXJPATXNF-JTQLQIEISA-N 0 0 452.820 4.858 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCc2cccnc2)s1 ZINC001492696355 1066846561 /nfs/dbraw/zinc/84/65/61/1066846561.db2.gz KSRYKYGRVLQCME-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(F)(F)Br)s1 ZINC001492696498 1066847091 /nfs/dbraw/zinc/84/70/91/1066847091.db2.gz OAOWPRMEDUPWFD-UHFFFAOYSA-N 0 0 499.385 4.536 20 0 JJADRN O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC001457510034 1066847112 /nfs/dbraw/zinc/84/71/12/1066847112.db2.gz MGKNVABIWJSDHB-UHFFFAOYSA-N 0 0 454.979 4.950 20 0 JJADRN C[C@H](NC(=O)c1ccc2cncc(Br)c2n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457512107 1066847156 /nfs/dbraw/zinc/84/71/56/1066847156.db2.gz RBTPSSASHJRDNG-JTQLQIEISA-N 0 0 458.703 4.587 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)n1 ZINC001457511394 1066847164 /nfs/dbraw/zinc/84/71/64/1066847164.db2.gz XSHNIOYLZQTZPE-UHFFFAOYSA-N 0 0 450.564 4.574 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC001457513690 1066847833 /nfs/dbraw/zinc/84/78/33/1066847833.db2.gz ASWRQJCJOVNPBO-UHFFFAOYSA-N 0 0 456.901 4.825 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2ncccc2C)s1 ZINC001492696734 1066847713 /nfs/dbraw/zinc/84/77/13/1066847713.db2.gz WAVYXSZDTPNEMU-UHFFFAOYSA-N 0 0 487.402 5.000 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2OCCC2(C)C)s1 ZINC001492696872 1066848301 /nfs/dbraw/zinc/84/83/01/1066848301.db2.gz ZSJPFDUPQKGOPJ-QRWLVFNGSA-N 0 0 459.591 4.774 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545999705 1066848283 /nfs/dbraw/zinc/84/82/83/1066848283.db2.gz SOKTVSXTQFOZSF-OAQYLSRUSA-N 0 0 476.625 4.515 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC001447729053 1066848411 /nfs/dbraw/zinc/84/84/11/1066848411.db2.gz HGFXWXFNPNRKEO-AZGAKELHSA-N 0 0 452.526 4.513 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCC[C@H]2C)s1 ZINC001492696803 1066848325 /nfs/dbraw/zinc/84/83/25/1066848325.db2.gz XXMGFILLFIXFRZ-SYJLOODJSA-N 0 0 459.591 4.510 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 ZINC001545999867 1066848828 /nfs/dbraw/zinc/84/88/28/1066848828.db2.gz VKTMDYNCTJWGTQ-WOJBJXKFSA-N 0 0 472.559 4.531 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)s1 ZINC001447734440 1066849395 /nfs/dbraw/zinc/84/93/95/1066849395.db2.gz NJEJQQHAZYOAAI-UHFFFAOYSA-N 0 0 453.568 4.500 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C[C@H](C)[S@@]1=O ZINC001447737022 1066849459 /nfs/dbraw/zinc/84/94/59/1066849459.db2.gz RRISPPFVCCINKL-FEQTUCOHSA-N 0 0 454.379 4.619 20 0 JJADRN Cc1cc(C)c(NC(=O)CNC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)c(C)c1 ZINC001457518545 1066849538 /nfs/dbraw/zinc/84/95/38/1066849538.db2.gz KICUMZBBUIRDCJ-UHFFFAOYSA-N 0 0 455.514 4.614 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2ccncc2Cl)s1 ZINC001492697887 1066849655 /nfs/dbraw/zinc/84/96/55/1066849655.db2.gz HGFARMOAJQLBEQ-UHFFFAOYSA-N 0 0 460.941 4.645 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001492697551 1066849684 /nfs/dbraw/zinc/84/96/84/1066849684.db2.gz WMGBNOFYJAGFNI-SFHVURJKSA-N 0 0 474.675 4.984 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC001492697642 1066849792 /nfs/dbraw/zinc/84/97/92/1066849792.db2.gz XRZCPJPJSUGNBA-SFHVURJKSA-N 0 0 495.575 4.837 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC001457520587 1066850285 /nfs/dbraw/zinc/85/02/85/1066850285.db2.gz OFNRCPPAMVWCOU-OBGWFSINSA-N 0 0 456.608 4.653 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc32)C[C@H](C)[S@@]1=O ZINC001447737677 1066850128 /nfs/dbraw/zinc/85/01/28/1066850128.db2.gz TVLQPQZNIMPADW-JYQBWVSASA-N 0 0 457.393 4.646 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2Cl)s1 ZINC001492698077 1066850279 /nfs/dbraw/zinc/85/02/79/1066850279.db2.gz MFRHYVDNWWITKL-UHFFFAOYSA-N 0 0 490.967 4.676 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cnc2OC)c1 ZINC001457518928 1066850448 /nfs/dbraw/zinc/85/04/48/1066850448.db2.gz UFLUHAMTVDFVLU-UHFFFAOYSA-N 0 0 453.564 4.646 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC001457520596 1066850464 /nfs/dbraw/zinc/85/04/64/1066850464.db2.gz OFNRCPPAMVWCOU-SDXDJHTJSA-N 0 0 456.608 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ccccc3NC(=O)C(C)(C)C)C2)CC1 ZINC001447741539 1066850801 /nfs/dbraw/zinc/85/08/01/1066850801.db2.gz HTPCQVPOVBXHOV-UHFFFAOYSA-N 0 0 457.615 4.925 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001457520816 1066850877 /nfs/dbraw/zinc/85/08/77/1066850877.db2.gz SIGRBFNWCFHHFI-QFIPXVFZSA-N 0 0 458.624 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)C2)CC1 ZINC001447741034 1066850902 /nfs/dbraw/zinc/85/09/02/1066850902.db2.gz HLWKDRHSGAHBPZ-UHFFFAOYSA-N 0 0 454.611 4.778 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2CCCO[C@H](C)c2ccccc2)s1 ZINC001492697775 1066850918 /nfs/dbraw/zinc/85/09/18/1066850918.db2.gz ZVNNOGZSYOXQAH-GOSISDBHSA-N 0 0 450.612 4.853 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001447743522 1066851384 /nfs/dbraw/zinc/85/13/84/1066851384.db2.gz ORODFUNATQXDEG-UHFFFAOYSA-N 0 0 456.562 4.573 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC001447744039 1066851418 /nfs/dbraw/zinc/85/14/18/1066851418.db2.gz ADRVZURFWZYKSS-SFHVURJKSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)nn1 ZINC001447745030 1066851482 /nfs/dbraw/zinc/85/14/82/1066851482.db2.gz VJTQWOKAPGPQPH-UHFFFAOYSA-N 0 0 450.583 4.705 20 0 JJADRN COc1cc(CN(C)C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)ccc1O ZINC001457526598 1066851511 /nfs/dbraw/zinc/85/15/11/1066851511.db2.gz KHARCAQONAOIID-UHFFFAOYSA-N 0 0 455.561 4.871 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001492698577 1066851508 /nfs/dbraw/zinc/85/15/08/1066851508.db2.gz CFXXXRRSLFAFQP-MRXNPFEDSA-N 0 0 462.664 4.668 20 0 JJADRN O=C(C[C@@H](O)c1ccc(Cl)cc1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001447746438 1066851677 /nfs/dbraw/zinc/85/16/77/1066851677.db2.gz WESTYRFATUSQDV-HXUWFJFHSA-N 0 0 452.776 4.734 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)s1 ZINC001492698464 1066851723 /nfs/dbraw/zinc/85/17/23/1066851723.db2.gz YJEJAMZODYWCNN-UHFFFAOYSA-N 0 0 480.682 4.942 20 0 JJADRN CCCCOc1ccc(CNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1Cl ZINC001447748653 1066852256 /nfs/dbraw/zinc/85/22/56/1066852256.db2.gz APBILRVMBHFBSC-BEFAXECRSA-N 0 0 454.995 4.896 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2Cc2cccc(Br)n2)s1 ZINC001492698734 1066852455 /nfs/dbraw/zinc/85/24/55/1066852455.db2.gz JPOATOIAUVROOD-UHFFFAOYSA-N 0 0 483.439 4.670 20 0 JJADRN Cc1ccc(Cn2ccccc2=NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001457528898 1066852786 /nfs/dbraw/zinc/85/27/86/1066852786.db2.gz ALJKYZWUCBQYKM-UHFFFAOYSA-N 0 0 457.574 4.879 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2cccs2)s1 ZINC001492698944 1066853624 /nfs/dbraw/zinc/85/36/24/1066853624.db2.gz RTWVOZMMFLCRIB-UHFFFAOYSA-N 0 0 486.692 4.710 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)s1 ZINC001492698990 1066853723 /nfs/dbraw/zinc/85/37/23/1066853723.db2.gz SZEAUKFYKKGTPU-NRFANRHFSA-N 0 0 464.060 4.786 20 0 JJADRN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001447756883 1066854447 /nfs/dbraw/zinc/85/44/47/1066854447.db2.gz XKFMKLNVANCYAD-YSZBQJHXSA-N 0 0 455.599 4.711 20 0 JJADRN CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 ZINC001457538096 1066855055 /nfs/dbraw/zinc/85/50/55/1066855055.db2.gz WBFILGURPXVUCZ-UHFFFAOYSA-N 0 0 458.864 4.954 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1C=O ZINC001447759019 1066855123 /nfs/dbraw/zinc/85/51/23/1066855123.db2.gz FQCROASYKVFPEB-IBGZPJMESA-N 0 0 454.324 4.906 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)cccc1C(F)(F)F ZINC001457538488 1066855216 /nfs/dbraw/zinc/85/52/16/1066855216.db2.gz ONLRGQCAGGVYIQ-UHFFFAOYSA-N 0 0 454.239 4.571 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492700116 1066855591 /nfs/dbraw/zinc/85/55/91/1066855591.db2.gz DRWDCARWRXMYNW-NVXWUHKLSA-N 0 0 486.617 4.637 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492700117 1066855631 /nfs/dbraw/zinc/85/56/31/1066855631.db2.gz DRWDCARWRXMYNW-RDJZCZTQSA-N 0 0 486.617 4.637 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC001447762532 1066855597 /nfs/dbraw/zinc/85/55/97/1066855597.db2.gz LHVVZTQKMMRFMV-TXSJAIKKSA-N 0 0 467.404 4.694 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1 ZINC001447774479 1066855676 /nfs/dbraw/zinc/85/56/76/1066855676.db2.gz AZIDPAHJNSSELD-IIBYNOLFSA-N 0 0 457.983 4.615 20 0 JJADRN CCCOc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)c(OC(F)F)c1 ZINC001457541169 1066855885 /nfs/dbraw/zinc/85/58/85/1066855885.db2.gz IYKINBSQYSYPPD-UHFFFAOYSA-N 0 0 450.429 4.899 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492700290 1066856198 /nfs/dbraw/zinc/85/61/98/1066856198.db2.gz KRFPZQKVTBSZCE-IBGZPJMESA-N 0 0 482.654 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2CCOc3ccc(C(F)(F)F)cc32)C1 ZINC001457541613 1066856437 /nfs/dbraw/zinc/85/64/37/1066856437.db2.gz LDDFRFLWZPDBEN-MRXNPFEDSA-N 0 0 454.489 4.858 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492700457 1066856778 /nfs/dbraw/zinc/85/67/78/1066856778.db2.gz NQPUKYKYFXEDTD-UHFFFAOYSA-N 0 0 462.410 4.743 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492701092 1066857475 /nfs/dbraw/zinc/85/74/75/1066857475.db2.gz WPDMNPFOPHMYGR-CHWSQXEVSA-N 0 0 451.568 4.690 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001447790306 1066857740 /nfs/dbraw/zinc/85/77/40/1066857740.db2.gz GHOFTJREGFSZJN-AVRDEDQJSA-N 0 0 454.567 4.989 20 0 JJADRN CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457548474 1066857836 /nfs/dbraw/zinc/85/78/36/1066857836.db2.gz UXPZWLIOIMVPRS-CLJLJLNGSA-N 0 0 452.639 4.939 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492701419 1066857804 /nfs/dbraw/zinc/85/78/04/1066857804.db2.gz UKHJTJKANLBDIA-JFIYKMOQSA-N 0 0 492.715 4.536 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCC(C)C)s1 ZINC001492701346 1066857893 /nfs/dbraw/zinc/85/78/93/1066857893.db2.gz RZHOMLFTIPFWEE-GOSISDBHSA-N 0 0 462.664 4.688 20 0 JJADRN CC[C@H](CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)Oc1cccc(Cl)c1 ZINC001457547198 1066857909 /nfs/dbraw/zinc/85/79/09/1066857909.db2.gz UBEQNJGNUPDSKG-OAQYLSRUSA-N 0 0 457.979 4.901 20 0 JJADRN CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457546725 1066857943 /nfs/dbraw/zinc/85/79/43/1066857943.db2.gz SSJJQCIFFKECOE-JTHBVZDNSA-N 0 0 451.636 4.805 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)c(OC)c1 ZINC001447791900 1066858198 /nfs/dbraw/zinc/85/81/98/1066858198.db2.gz SFGHRDHTGLMHPC-UHFFFAOYSA-N 0 0 455.894 4.975 20 0 JJADRN CN(C(=O)c1cc(I)ccc1O)c1ccc(OCc2ccccc2)cc1 ZINC001447791302 1066858343 /nfs/dbraw/zinc/85/83/43/1066858343.db2.gz JROPZPWTEPEXNM-UHFFFAOYSA-N 0 0 459.283 4.852 20 0 JJADRN CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457548480 1066858432 /nfs/dbraw/zinc/85/84/32/1066858432.db2.gz UXPZWLIOIMVPRS-IZZNHLLZSA-N 0 0 452.639 4.939 20 0 JJADRN CCOC(=O)c1cnc(C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)c(Cl)c1 ZINC001457551285 1066858582 /nfs/dbraw/zinc/85/85/82/1066858582.db2.gz RPFNATPVPOZRHK-UHFFFAOYSA-N 0 0 456.836 4.986 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccc(Cl)cn1 ZINC001447793092 1066859080 /nfs/dbraw/zinc/85/90/80/1066859080.db2.gz MWZXKXUOAWKCLC-CYBMUJFWSA-N 0 0 450.347 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC001457550459 1066859213 /nfs/dbraw/zinc/85/92/13/1066859213.db2.gz CINPVPPRKXSNEW-DAYGRLMNSA-N 0 0 459.978 4.879 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)s1 ZINC001492701831 1066859233 /nfs/dbraw/zinc/85/92/33/1066859233.db2.gz INODQUQUHRTVTC-UHFFFAOYSA-N 0 0 477.053 4.795 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@H](C)C2)s1 ZINC001492702022 1066859806 /nfs/dbraw/zinc/85/98/06/1066859806.db2.gz PCLANWLDPONAIZ-MDZRGWNJSA-N 0 0 460.648 4.646 20 0 JJADRN CC[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1)Oc1cccc(Cl)c1 ZINC001457553600 1066859825 /nfs/dbraw/zinc/85/98/25/1066859825.db2.gz YSQQCYHVSVCYQS-LJQANCHMSA-N 0 0 450.000 4.709 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001457554648 1066860019 /nfs/dbraw/zinc/86/00/19/1066860019.db2.gz JVMKQMIZYKLSRK-FQEVSTJZSA-N 0 0 452.580 4.670 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001447797580 1066860263 /nfs/dbraw/zinc/86/02/63/1066860263.db2.gz SDCIFDYQGFQABM-UHFFFAOYSA-N 0 0 451.778 4.931 20 0 JJADRN Cc1ncc(Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492702622 1066860684 /nfs/dbraw/zinc/86/06/84/1066860684.db2.gz KTWAJGAOFRRKHH-OAQYLSRUSA-N 0 0 496.681 4.712 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001447799732 1066860797 /nfs/dbraw/zinc/86/07/97/1066860797.db2.gz LJKDBMAYIUQMRG-KDOFPFPSSA-N 0 0 452.311 4.598 20 0 JJADRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001447799335 1066860844 /nfs/dbraw/zinc/86/08/44/1066860844.db2.gz KNFZTQRQJONIOI-QMIHWGKISA-N 0 0 450.904 4.606 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492702722 1066861153 /nfs/dbraw/zinc/86/11/53/1066861153.db2.gz OUNHHJNSWSZENX-WIYYLYMNSA-N 0 0 496.681 4.730 20 0 JJADRN Cc1ncc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cccs2)s1 ZINC001492702760 1066861263 /nfs/dbraw/zinc/86/12/63/1066861263.db2.gz PUBQYYPJODRBKQ-IYBDPMFKSA-N 0 0 474.656 4.560 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001457558813 1066861249 /nfs/dbraw/zinc/86/12/49/1066861249.db2.gz RJYNYHYECRWCLO-ADGBJGEGSA-N 0 0 455.643 4.760 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cn1 ZINC001447801581 1066861473 /nfs/dbraw/zinc/86/14/73/1066861473.db2.gz UJPYEQDKBPOUHG-ZDUSSCGKSA-N 0 0 450.347 4.680 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NOCc1ccc(F)cc1Br ZINC001447800647 1066861604 /nfs/dbraw/zinc/86/16/04/1066861604.db2.gz GJLOHNPFLXFBOX-YJBOKZPZSA-N 0 0 457.137 4.876 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(Cc4ccccc4F)n3CCCC(C)C)CC2)s1 ZINC001492703682 1066861878 /nfs/dbraw/zinc/86/18/78/1066861878.db2.gz XCKNSSSBEMEWDW-UHFFFAOYSA-N 0 0 456.635 4.531 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NCCc3ccc(Cl)nc3)ccc21 ZINC001457561930 1066862174 /nfs/dbraw/zinc/86/21/74/1066862174.db2.gz HIAWZACPSAXTNY-UHFFFAOYSA-N 0 0 456.974 4.577 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)/C=C/c1ccc(Cl)s1 ZINC001447802855 1066862279 /nfs/dbraw/zinc/86/22/79/1066862279.db2.gz OVBABFSNVREDPG-CSKARUKUSA-N 0 0 458.805 4.986 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)C)nnc2N(Cc2cccc(F)c2)C(C)C)cn1 ZINC001492704285 1066862453 /nfs/dbraw/zinc/86/24/53/1066862453.db2.gz XAECGTKKVOXEGL-UHFFFAOYSA-N 0 0 461.589 4.968 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457564135 1066862554 /nfs/dbraw/zinc/86/25/54/1066862554.db2.gz KARNSMZGAPNGAB-SJORKVTESA-N 0 0 450.501 4.981 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001457564232 1066862617 /nfs/dbraw/zinc/86/26/17/1066862617.db2.gz YWWRHHYOBMDYCI-QGZVFWFLSA-N 0 0 455.624 4.612 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)nn1[C@@H](C)C1CC1 ZINC001457563729 1066862770 /nfs/dbraw/zinc/86/27/70/1066862770.db2.gz AFJMSAJMZKAMQB-INIZCTEOSA-N 0 0 456.543 4.663 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001447805001 1066862977 /nfs/dbraw/zinc/86/29/77/1066862977.db2.gz JEJQDJMRXVEUOC-MGPUTAFESA-N 0 0 453.480 4.732 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001447805005 1066863024 /nfs/dbraw/zinc/86/30/24/1066863024.db2.gz JEJQDJMRXVEUOC-YWZLYKJASA-N 0 0 453.480 4.732 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)cc1F ZINC001492704336 1066863297 /nfs/dbraw/zinc/86/32/97/1066863297.db2.gz ZEQJIFXWHBZGNE-SJORKVTESA-N 0 0 456.635 4.878 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704432 1066863313 /nfs/dbraw/zinc/86/33/13/1066863313.db2.gz BPEOQKORSGDJJB-SFHVURJKSA-N 0 0 493.475 4.965 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(F)cc(F)c3OC)CC2)c2ccccc12 ZINC001457564724 1066863484 /nfs/dbraw/zinc/86/34/84/1066863484.db2.gz PSELZYAVNHOOSC-UHFFFAOYSA-N 0 0 454.473 4.626 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704558 1066863955 /nfs/dbraw/zinc/86/39/55/1066863955.db2.gz HERGUVZIJDFROM-QGZVFWFLSA-N 0 0 493.475 4.618 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Cl)cc3I)cnc21 ZINC001457566652 1066864005 /nfs/dbraw/zinc/86/40/05/1066864005.db2.gz ONBKXAFQCJJZDF-UHFFFAOYSA-N 0 0 454.699 4.598 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001447814234 1066865050 /nfs/dbraw/zinc/86/50/50/1066865050.db2.gz ZRCOTUKAJQRYEH-NSHDSACASA-N 0 0 457.836 4.624 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@H]1C ZINC001492705510 1066865435 /nfs/dbraw/zinc/86/54/35/1066865435.db2.gz IDFJHJXOUJICIK-MRXNPFEDSA-N 0 0 475.460 4.635 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001492705536 1066865459 /nfs/dbraw/zinc/86/54/59/1066865459.db2.gz JBBLQUOTEOOBKD-QGZVFWFLSA-N 0 0 495.981 4.657 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cc(Br)c(F)cc2F)cc1 ZINC001447819027 1066865547 /nfs/dbraw/zinc/86/55/47/1066865547.db2.gz PJCRVVSDZTYWNL-UHFFFAOYSA-N 0 0 453.312 4.612 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001447817710 1066865562 /nfs/dbraw/zinc/86/55/62/1066865562.db2.gz XRYWFEJVYGWJOR-QHCPKHFHSA-N 0 0 457.452 4.705 20 0 JJADRN Cc1nccn1CCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492705886 1066866071 /nfs/dbraw/zinc/86/60/71/1066866071.db2.gz VHMJGSNPLJGAPH-OAQYLSRUSA-N 0 0 476.547 4.984 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705736 1066866263 /nfs/dbraw/zinc/86/62/63/1066866263.db2.gz PUECKTOIQDHKSB-UHFFFAOYSA-N 0 0 480.016 4.930 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492705617 1066866303 /nfs/dbraw/zinc/86/63/03/1066866303.db2.gz LUQNHOJFCJOHKM-RBUKOAKNSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(Br)c(F)cc2F)cc1C ZINC001447827112 1066866318 /nfs/dbraw/zinc/86/63/18/1066866318.db2.gz YLAOURRDGMJBGM-UHFFFAOYSA-N 0 0 453.312 4.656 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)nc3C)[C@@H]2c2ccccc2OC)cc1 ZINC001457570215 1066866724 /nfs/dbraw/zinc/86/67/24/1066866724.db2.gz DQOKGAXHEIEPMA-NVQXNPDNSA-N 0 0 459.546 4.839 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492706055 1066866859 /nfs/dbraw/zinc/86/68/59/1066866859.db2.gz APALXWJFCGOGCM-JOCHJYFZSA-N 0 0 456.635 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC001447835129 1066866917 /nfs/dbraw/zinc/86/69/17/1066866917.db2.gz CWHSDCZJHVDUJC-QGZVFWFLSA-N 0 0 456.505 4.913 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC001457571567 1066867096 /nfs/dbraw/zinc/86/70/96/1066867096.db2.gz FKARNCJXZKOYQD-KGLIPLIRSA-N 0 0 456.724 4.700 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001492706197 1066867519 /nfs/dbraw/zinc/86/75/19/1066867519.db2.gz FYAHTEFSBYHIAP-GOSISDBHSA-N 0 0 487.446 4.841 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492706177 1066867666 /nfs/dbraw/zinc/86/76/66/1066867666.db2.gz FOAXKGGUCSMNKV-RJGXRXQPSA-N 0 0 497.688 4.827 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001447837589 1066867791 /nfs/dbraw/zinc/86/77/91/1066867791.db2.gz MXLVYONSPOEMCU-NFBKMPQASA-N 0 0 457.412 4.744 20 0 JJADRN Cc1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1S(=O)(=O)Nc1ccccc1F ZINC001457573764 1066867623 /nfs/dbraw/zinc/86/76/23/1066867623.db2.gz RRRRFCNQDGHBFY-UHFFFAOYSA-N 0 0 455.486 4.667 20 0 JJADRN CCCOc1cc(C)ccc1CNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC001457574977 1066867768 /nfs/dbraw/zinc/86/77/68/1066867768.db2.gz NGSRDZFCQPKXNB-UHFFFAOYSA-N 0 0 458.986 4.614 20 0 JJADRN CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)N1C[C@@H](C)O[C@H](C)C1 ZINC001457572317 1066867823 /nfs/dbraw/zinc/86/78/23/1066867823.db2.gz OSQGZNGVLNRIQR-CKEIUWERSA-N 0 0 455.049 4.556 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCCN1Cc1cccnc1 ZINC001447845485 1066868378 /nfs/dbraw/zinc/86/83/78/1066868378.db2.gz ICEHJKCLTPNMNB-DHIUTWEWSA-N 0 0 456.428 4.726 20 0 JJADRN Cc1cc(F)ccc1CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC001457574359 1066868464 /nfs/dbraw/zinc/86/84/64/1066868464.db2.gz KSAGYYAPIFXHQV-UHFFFAOYSA-N 0 0 456.359 4.934 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001492706327 1066868528 /nfs/dbraw/zinc/86/85/28/1066868528.db2.gz JMLKHVYJYVPILL-SFHVURJKSA-N 0 0 465.552 4.725 20 0 JJADRN Cc1nccn1CCCCn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 ZINC001492706774 1066868901 /nfs/dbraw/zinc/86/89/01/1066868901.db2.gz ZOLGSTFKAVVVHZ-UHFFFAOYSA-N 0 0 452.672 4.771 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001447846721 1066868914 /nfs/dbraw/zinc/86/89/14/1066868914.db2.gz MIIGHFBPIAAIMS-IRLDBZIGSA-N 0 0 455.396 4.720 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846149 1066869022 /nfs/dbraw/zinc/86/90/22/1066869022.db2.gz XUHJLVOXLPKASZ-ICSRJNTNSA-N 0 0 453.583 4.750 20 0 JJADRN C[C@H]1CCC[C@@H](NC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CC1 ZINC001447846175 1066869044 /nfs/dbraw/zinc/86/90/44/1066869044.db2.gz HMCARFRNAAHUAY-QFBILLFUSA-N 0 0 450.421 4.646 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846199 1066869144 /nfs/dbraw/zinc/86/91/44/1066869144.db2.gz XZXFAIKFIRIMJF-NQIIRXRSSA-N 0 0 453.583 4.750 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 ZINC001492707007 1066870087 /nfs/dbraw/zinc/87/00/87/1066870087.db2.gz IFYGJWCNHDVKKX-CQSZACIVSA-N 0 0 463.811 4.802 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492707195 1066870123 /nfs/dbraw/zinc/87/01/23/1066870123.db2.gz NTTSWYAEZRYKDK-HXUWFJFHSA-N 0 0 487.446 4.554 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001447856611 1066870309 /nfs/dbraw/zinc/87/03/09/1066870309.db2.gz KDTZBBQOPHQUKT-FQEVSTJZSA-N 0 0 452.320 4.599 20 0 JJADRN Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c(C)n1 ZINC001457579648 1066870213 /nfs/dbraw/zinc/87/02/13/1066870213.db2.gz YJFWOJSTRLUMBD-UHFFFAOYSA-N 0 0 454.324 4.731 20 0 JJADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1occc1CSc1ccccc1 ZINC001457580360 1066870317 /nfs/dbraw/zinc/87/03/17/1066870317.db2.gz QTXAWYPLBFUIJZ-UHFFFAOYSA-N 0 0 456.011 4.777 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492707461 1066870619 /nfs/dbraw/zinc/87/06/19/1066870619.db2.gz WGRXNKTUJLIMGA-QHCPKHFHSA-N 0 0 450.631 4.843 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001492707483 1066870811 /nfs/dbraw/zinc/87/08/11/1066870811.db2.gz XHQOANGIPBBDSA-HNNXBMFYSA-N 0 0 488.459 4.900 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492707350 1066870908 /nfs/dbraw/zinc/87/09/08/1066870908.db2.gz SMDMHHRGOWZUMT-UHFFFAOYSA-N 0 0 485.402 4.846 20 0 JJADRN Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)sc1C ZINC001457581094 1066870892 /nfs/dbraw/zinc/87/08/92/1066870892.db2.gz DVBDULOJUMYVMV-WMZHIEFXSA-N 0 0 453.633 4.973 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492707534 1066871503 /nfs/dbraw/zinc/87/15/03/1066871503.db2.gz YUQQMSRIVBRGOM-SFHVURJKSA-N 0 0 470.593 4.546 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc3cc(Br)ccc3c2)CC1=O ZINC001457588063 1066872268 /nfs/dbraw/zinc/87/22/68/1066872268.db2.gz PDROMWMLSDPCDJ-QGZVFWFLSA-N 0 0 453.336 4.911 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001492708557 1066872225 /nfs/dbraw/zinc/87/22/25/1066872225.db2.gz DWLZWYYAFBYHPC-IBGZPJMESA-N 0 0 479.629 4.616 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC001457587834 1066872303 /nfs/dbraw/zinc/87/23/03/1066872303.db2.gz WLMBUZWKAOWRJO-HNNXBMFYSA-N 0 0 454.379 4.752 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CC2(CCC2)C1 ZINC001457589288 1066872762 /nfs/dbraw/zinc/87/27/62/1066872762.db2.gz CBTGPFNAWLZWSI-UHFFFAOYSA-N 0 0 450.004 4.836 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)cnn1-c1ccccc1Cl ZINC001457589648 1066872822 /nfs/dbraw/zinc/87/28/22/1066872822.db2.gz DLOLDCAZOIWYDU-UHFFFAOYSA-N 0 0 456.333 4.596 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1 ZINC001447874197 1066872845 /nfs/dbraw/zinc/87/28/45/1066872845.db2.gz UUZFISSQXCGMBE-DXPJPUQTSA-N 0 0 454.455 4.942 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001492708925 1066873153 /nfs/dbraw/zinc/87/31/53/1066873153.db2.gz QFDMNDCGQQUMFN-UHFFFAOYSA-N 0 0 450.631 4.648 20 0 JJADRN Cc1ccnc(N2CCN(C(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC001457591054 1066873263 /nfs/dbraw/zinc/87/32/63/1066873263.db2.gz CVUDTERGASRXMJ-KRWDZBQOSA-N 0 0 456.999 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[C@H]1C1CC1 ZINC001457590214 1066873324 /nfs/dbraw/zinc/87/33/24/1066873324.db2.gz FIJTYNLNMQQUOE-IRXDYDNUSA-N 0 0 450.004 4.787 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001447890271 1066873439 /nfs/dbraw/zinc/87/34/39/1066873439.db2.gz GJFCCFFQZAYQEG-NRFANRHFSA-N 0 0 452.599 4.579 20 0 JJADRN COc1ccc(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1S(C)(=O)=O ZINC001457592141 1066873457 /nfs/dbraw/zinc/87/34/57/1066873457.db2.gz SBDPPAFSFGMDNB-UHFFFAOYSA-N 0 0 454.375 4.725 20 0 JJADRN O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447899722 1066874075 /nfs/dbraw/zinc/87/40/75/1066874075.db2.gz IKJIIMYYIHSTNN-LJQANCHMSA-N 0 0 453.823 4.897 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492710108 1066874341 /nfs/dbraw/zinc/87/43/41/1066874341.db2.gz DICAURQVCJDKKQ-UHFFFAOYSA-N 0 0 468.671 4.907 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001492709951 1066874417 /nfs/dbraw/zinc/87/44/17/1066874417.db2.gz YNXTWWIITJMEPS-NRFANRHFSA-N 0 0 499.685 4.686 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC001457595304 1066874766 /nfs/dbraw/zinc/87/47/66/1066874766.db2.gz HIPUKUYWZSPVEC-KXBFYZLASA-N 0 0 458.352 4.793 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001492710303 1066875083 /nfs/dbraw/zinc/87/50/83/1066875083.db2.gz KOTDWXUAGGZYLQ-KBPBESRZSA-N 0 0 463.811 4.658 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492710347 1066875310 /nfs/dbraw/zinc/87/53/10/1066875310.db2.gz LXQYJDKCFSVADF-CQSZACIVSA-N 0 0 459.982 4.639 20 0 JJADRN O=C(c1[nH]nc(C2CC2)c1Br)N1CCC(c2ccccc2Br)CC1 ZINC001447907728 1066875318 /nfs/dbraw/zinc/87/53/18/1066875318.db2.gz ZRBINGWZXKTSMM-UHFFFAOYSA-N 0 0 453.178 4.832 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1nnc(-c2ccccc2Cl)s1)C(F)(F)F ZINC001457601029 1066875401 /nfs/dbraw/zinc/87/54/01/1066875401.db2.gz MFDQFRYWNXDYIN-GOSISDBHSA-N 0 0 456.877 4.612 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC001457598143 1066875439 /nfs/dbraw/zinc/87/54/39/1066875439.db2.gz YMKPGSKGJDJVLX-UHFFFAOYSA-N 0 0 459.527 4.752 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)NN1CCc2ccccc2C1=O ZINC001546092367 1066876608 /nfs/dbraw/zinc/87/66/08/1066876608.db2.gz WTDDDFVSAAEWPJ-UHFFFAOYSA-N 0 0 456.365 4.533 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(Br)ccc1O)C1CCCCCC1 ZINC001447928145 1066877327 /nfs/dbraw/zinc/87/73/27/1066877327.db2.gz VIFZPDXCBKCYQK-CQSZACIVSA-N 0 0 456.381 4.600 20 0 JJADRN O=C(CCc1cc2ccccc2[nH]c1=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447924331 1066877510 /nfs/dbraw/zinc/87/75/10/1066877510.db2.gz WNRHQACKKGTBEG-XMMPIXPASA-N 0 0 454.526 4.516 20 0 JJADRN O=C(CCOc1ccccc1Cl)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001447935671 1066878119 /nfs/dbraw/zinc/87/81/19/1066878119.db2.gz DDBJXCCBDBTCIC-UHFFFAOYSA-N 0 0 454.876 4.549 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)Nc3cccn(Cc4ccc(F)cc4)c3=O)on2)c1 ZINC001457611590 1066878439 /nfs/dbraw/zinc/87/84/39/1066878439.db2.gz YDUZNEULYYUTJG-UHFFFAOYSA-N 0 0 453.857 4.605 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492712680 1066878506 /nfs/dbraw/zinc/87/85/06/1066878506.db2.gz KPCAWHMKMHHTAL-UXHICEINSA-N 0 0 452.578 4.771 20 0 JJADRN O=C(CCc1cccc(F)c1F)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457612723 1066878580 /nfs/dbraw/zinc/87/85/80/1066878580.db2.gz CJUIPTZIGRIENA-UHFFFAOYSA-N 0 0 453.230 4.531 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC001457613317 1066878624 /nfs/dbraw/zinc/87/86/24/1066878624.db2.gz KKBFXZXOVWYXGB-LZHZSBQWSA-N 0 0 454.983 4.564 20 0 JJADRN O=C(N[C@H](CO)Cc1ccncc1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001447938405 1066878714 /nfs/dbraw/zinc/87/87/14/1066878714.db2.gz UXMPTRRXNYBNCR-KRWDZBQOSA-N 0 0 450.457 4.724 20 0 JJADRN CC(C)(C)c1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)on2)cc1 ZINC001457614188 1066878989 /nfs/dbraw/zinc/87/89/89/1066878989.db2.gz ICFALKDTJUJBBZ-UHFFFAOYSA-N 0 0 453.564 4.580 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccn2C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001492713308 1066878996 /nfs/dbraw/zinc/87/89/96/1066878996.db2.gz FWCVSBJVZPOOBF-OAQYLSRUSA-N 0 0 498.404 4.534 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccn2C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001492713307 1066879129 /nfs/dbraw/zinc/87/91/29/1066879129.db2.gz FWCVSBJVZPOOBF-NRFANRHFSA-N 0 0 498.404 4.534 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 ZINC001492713531 1066879618 /nfs/dbraw/zinc/87/96/18/1066879618.db2.gz NBWZQQRYXCRFFY-UHFFFAOYSA-N 0 0 461.639 4.719 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457615219 1066879693 /nfs/dbraw/zinc/87/96/93/1066879693.db2.gz NENNXDWMROEUNS-DYVFJYSZSA-N 0 0 453.324 4.605 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC(C)C ZINC001492713446 1066879742 /nfs/dbraw/zinc/87/97/42/1066879742.db2.gz JYTGNSCZLSSLTG-UHFFFAOYSA-N 0 0 463.811 4.794 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001492713519 1066879806 /nfs/dbraw/zinc/87/98/06/1066879806.db2.gz MTCGTCZJVDMVSA-HXUWFJFHSA-N 0 0 455.404 4.674 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(Cl)cc1 ZINC001457615730 1066879802 /nfs/dbraw/zinc/87/98/02/1066879802.db2.gz OGOORQQXBGBWML-VPUINMBXSA-N 0 0 450.969 4.659 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cs1 ZINC001447947687 1066879904 /nfs/dbraw/zinc/87/99/04/1066879904.db2.gz OUKPKVNLZSXAKF-QUCCMNQESA-N 0 0 450.391 4.517 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492713750 1066880201 /nfs/dbraw/zinc/88/02/01/1066880201.db2.gz UTMFSNOTYZWHIJ-HNNXBMFYSA-N 0 0 461.397 4.597 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492713882 1066880303 /nfs/dbraw/zinc/88/03/03/1066880303.db2.gz ZEFXSALSRVEXBB-CVEARBPZSA-N 0 0 455.404 4.674 20 0 JJADRN C[C@@H](NC(=O)c1cnc(Br)c(Br)c1)c1cccc(N2CCCC2)c1 ZINC001457617456 1066880227 /nfs/dbraw/zinc/88/02/27/1066880227.db2.gz KBESSJRIBHTTDT-GFCCVEGCSA-N 0 0 453.178 4.698 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1-c1ccc(Cl)cc1 ZINC001457617570 1066880302 /nfs/dbraw/zinc/88/03/02/1066880302.db2.gz VDHNZUDJYRLFDR-DSIZOQBWSA-N 0 0 459.999 4.513 20 0 JJADRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(F)(F)c1cc(Cl)ccc1Cl)CC3 ZINC001447949270 1066880340 /nfs/dbraw/zinc/88/03/40/1066880340.db2.gz XDNWLADBZGTZPB-UHFFFAOYSA-N 0 0 453.272 4.938 20 0 JJADRN Cc1sc([C@H](C)NC(=O)C2CCN(Cc3nccn3C)CC2)nc1-c1ccc(Cl)cc1 ZINC001457618527 1066881045 /nfs/dbraw/zinc/88/10/45/1066881045.db2.gz WKPKRFHBGZEAHT-HNNXBMFYSA-N 0 0 458.031 4.595 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001447954412 1066881119 /nfs/dbraw/zinc/88/11/19/1066881119.db2.gz CREYSOYCDMTKJL-SFTDATJTSA-N 0 0 454.567 4.597 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC(F)F ZINC001492715023 1066881421 /nfs/dbraw/zinc/88/14/21/1066881421.db2.gz WLZMQCPMKQXGGZ-UHFFFAOYSA-N 0 0 471.339 4.596 20 0 JJADRN O=C(NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1)c1c[nH]c(=S)[nH]1 ZINC001457618735 1066881592 /nfs/dbraw/zinc/88/15/92/1066881592.db2.gz ABHASPDYJMRPLV-UHFFFAOYSA-N 0 0 452.363 4.783 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001447956087 1066881780 /nfs/dbraw/zinc/88/17/80/1066881780.db2.gz HQOKPDZGGLIXMA-LEWJYISDSA-N 0 0 451.567 4.529 20 0 JJADRN CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)c1C ZINC001457620076 1066882133 /nfs/dbraw/zinc/88/21/33/1066882133.db2.gz QTBROSZHXDXDRE-UHFFFAOYSA-N 0 0 459.571 4.987 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)c(OC[C@H]2CCOC2)c1 ZINC001457621723 1066882241 /nfs/dbraw/zinc/88/22/41/1066882241.db2.gz GSXQZJBVAQVOGS-KRWDZBQOSA-N 0 0 456.539 4.515 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001447956641 1066882237 /nfs/dbraw/zinc/88/22/37/1066882237.db2.gz DLVFUKVKGPRNPO-AWEZNQCLSA-N 0 0 457.434 4.788 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC1(C)C ZINC001492717193 1066882646 /nfs/dbraw/zinc/88/26/46/1066882646.db2.gz MPVWQLNRVGVMCD-AWEZNQCLSA-N 0 0 463.449 4.802 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001457622171 1066882660 /nfs/dbraw/zinc/88/26/60/1066882660.db2.gz TYXLVEOZDJESKJ-KRWDZBQOSA-N 0 0 451.748 4.745 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC001447958746 1066882689 /nfs/dbraw/zinc/88/26/89/1066882689.db2.gz LSKKEBUEFWDWKZ-UHFFFAOYSA-N 0 0 456.599 4.931 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001447958832 1066882818 /nfs/dbraw/zinc/88/28/18/1066882818.db2.gz JGUHHEKOIRUGEZ-CVEARBPZSA-N 0 0 453.674 4.981 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 ZINC001492717008 1066883197 /nfs/dbraw/zinc/88/31/97/1066883197.db2.gz GXPPDSYDDKRUEX-HNNXBMFYSA-N 0 0 465.454 4.992 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1 ZINC001457622391 1066883196 /nfs/dbraw/zinc/88/31/96/1066883196.db2.gz HDOKOQAZXWXENB-RUZDIDTESA-N 0 0 450.608 4.603 20 0 JJADRN CN(CC(=O)NCCc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(Br)s1 ZINC001457622263 1066883337 /nfs/dbraw/zinc/88/33/37/1066883337.db2.gz JTOYMFFNGAGMQD-UHFFFAOYSA-N 0 0 457.393 4.609 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOCC2(CCCC2)C1)c1ccccc1C(F)(F)F ZINC001447960391 1066883303 /nfs/dbraw/zinc/88/33/03/1066883303.db2.gz SDZLXWFICPOWPM-SFHVURJKSA-N 0 0 456.505 4.690 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCOCC2(CCCC2)C1)c1ccccc1C(F)(F)F ZINC001447960386 1066883331 /nfs/dbraw/zinc/88/33/31/1066883331.db2.gz SDZLXWFICPOWPM-GOSISDBHSA-N 0 0 456.505 4.690 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)C(C)C ZINC001492717135 1066883330 /nfs/dbraw/zinc/88/33/30/1066883330.db2.gz KNAYXEPKBHBDKM-QFIPXVFZSA-N 0 0 465.429 4.646 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1 ZINC001457622393 1066883359 /nfs/dbraw/zinc/88/33/59/1066883359.db2.gz HDOKOQAZXWXENB-VWLOTQADSA-N 0 0 450.608 4.603 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001457622805 1066883864 /nfs/dbraw/zinc/88/38/64/1066883864.db2.gz KKCDTPBAYMMDJJ-JOCHJYFZSA-N 0 0 459.546 4.758 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCn1ccnc1C ZINC001492717260 1066883863 /nfs/dbraw/zinc/88/38/63/1066883863.db2.gz PBAVQHMTMBZNIG-IBGZPJMESA-N 0 0 497.047 4.653 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC001447962054 1066883947 /nfs/dbraw/zinc/88/39/47/1066883947.db2.gz BAIQSCXWZBOAFX-LJQANCHMSA-N 0 0 459.384 4.636 20 0 JJADRN O=C(c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)N1C[C@@H](O)CC(F)(F)C1 ZINC001447965417 1066884303 /nfs/dbraw/zinc/88/43/03/1066884303.db2.gz QONOYUYHSLLJND-AWEZNQCLSA-N 0 0 458.317 4.750 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001447966754 1066884366 /nfs/dbraw/zinc/88/43/66/1066884366.db2.gz ULZIDABRJANQEK-IBGZPJMESA-N 0 0 456.549 4.900 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)COc1ccc(Br)cc1Cl ZINC001457623624 1066884469 /nfs/dbraw/zinc/88/44/69/1066884469.db2.gz KUVXAOJPLRMIAC-UHFFFAOYSA-N 0 0 456.764 4.521 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3OC[C@H]3CCOC3)cs2)cc1 ZINC001457626339 1066884981 /nfs/dbraw/zinc/88/49/81/1066884981.db2.gz QWRHGNBAMOZOHJ-FQEVSTJZSA-N 0 0 450.604 4.955 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001546001610 1066884972 /nfs/dbraw/zinc/88/49/72/1066884972.db2.gz QLADPMOVABSGHV-FYYLOGMGSA-N 0 0 467.589 4.514 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@H](F)C1 ZINC001492717906 1066885282 /nfs/dbraw/zinc/88/52/82/1066885282.db2.gz OJBZOGXLULKDGQ-IAGOWNOFSA-N 0 0 475.410 4.833 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1 ZINC001492717959 1066885919 /nfs/dbraw/zinc/88/59/19/1066885919.db2.gz YOKIGPIEABZBLA-RTBURBONSA-N 0 0 472.634 4.830 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC=CCC1 ZINC001492718001 1066886107 /nfs/dbraw/zinc/88/61/07/1066886107.db2.gz ZGCFVIPBSGWIOO-WOJBJXKFSA-N 0 0 452.578 4.900 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CSCCS1 ZINC001492717996 1066886204 /nfs/dbraw/zinc/88/62/04/1066886204.db2.gz ZFVCRJWKOZGXKF-INIZCTEOSA-N 0 0 481.066 4.573 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCSC1)Oc1ccccc1F ZINC001546001699 1066886251 /nfs/dbraw/zinc/88/62/51/1066886251.db2.gz RVBNQDJRGVRKEP-QZTJIDSGSA-N 0 0 461.632 4.572 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC001447973479 1066886342 /nfs/dbraw/zinc/88/63/42/1066886342.db2.gz YAOUXKICYKUIFR-UHFFFAOYSA-N 0 0 458.305 4.584 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCc2ccccc2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001492718321 1066886789 /nfs/dbraw/zinc/88/67/89/1066886789.db2.gz APGFMVUKQUQDKH-NBGIEHNGSA-N 0 0 464.658 4.645 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c(OC(C)C)c1 ZINC001457631358 1066886694 /nfs/dbraw/zinc/88/66/94/1066886694.db2.gz JLUKYHGSDQWJIM-QFIPXVFZSA-N 0 0 454.636 4.911 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001546001848 1066886830 /nfs/dbraw/zinc/88/68/30/1066886830.db2.gz VBOYOKUWYSKWNC-DHIUTWEWSA-N 0 0 490.652 4.809 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001546001851 1066886850 /nfs/dbraw/zinc/88/68/50/1066886850.db2.gz VBOYOKUWYSKWNC-XZOQPEGZSA-N 0 0 490.652 4.809 20 0 JJADRN Cc1coc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)ccc2C)n1 ZINC001457631356 1066886958 /nfs/dbraw/zinc/88/69/58/1066886958.db2.gz YODBHPYDJNAQAM-GOSISDBHSA-N 0 0 453.564 4.774 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492718386 1066886855 /nfs/dbraw/zinc/88/68/55/1066886855.db2.gz DKIAOALYWJMJEA-UHFFFAOYSA-N 0 0 478.689 4.718 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)cc2C1 ZINC001457632060 1066887346 /nfs/dbraw/zinc/88/73/46/1066887346.db2.gz LUGAIMKJFNRPNP-NSHDSACASA-N 0 0 459.369 4.835 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC001457632285 1066887486 /nfs/dbraw/zinc/88/74/86/1066887486.db2.gz NJMPUJUSELZJMA-HKBQPEDESA-N 0 0 456.637 4.618 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c(OC(C)C)c1 ZINC001457633905 1066888038 /nfs/dbraw/zinc/88/80/38/1066888038.db2.gz RZVQONIFFOUTCL-UHFFFAOYSA-N 0 0 456.542 4.551 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC001457634041 1066888105 /nfs/dbraw/zinc/88/81/05/1066888105.db2.gz CNWXVYXWHZVRNL-NRFANRHFSA-N 0 0 456.329 4.684 20 0 JJADRN O=C(c1ccc2[nH]cnc2c1F)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447984694 1066888067 /nfs/dbraw/zinc/88/80/67/1066888067.db2.gz RGNSCZGHIKPKIY-HXUWFJFHSA-N 0 0 455.436 4.679 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(CC(C)C)CC1 ZINC001492719146 1066888352 /nfs/dbraw/zinc/88/83/52/1066888352.db2.gz DFXNOEICWXPPAC-UHFFFAOYSA-N 0 0 456.585 4.960 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492719151 1066888422 /nfs/dbraw/zinc/88/84/22/1066888422.db2.gz DIBXBSABTOACNC-VGOFRKELSA-N 0 0 485.677 4.568 20 0 JJADRN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1 ZINC001457636900 1066888461 /nfs/dbraw/zinc/88/84/61/1066888461.db2.gz GLFIIRXLJPZRJX-UHFFFAOYSA-N 0 0 458.518 4.984 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001492719460 1066888735 /nfs/dbraw/zinc/88/87/35/1066888735.db2.gz MOQLKNPUJSPJIJ-QFIPXVFZSA-N 0 0 472.081 4.810 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001492719698 1066888777 /nfs/dbraw/zinc/88/87/77/1066888777.db2.gz SROPRCLIXRHEBQ-UHFFFAOYSA-N 0 0 477.588 4.838 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492718912 1066888793 /nfs/dbraw/zinc/88/87/93/1066888793.db2.gz WBHCAUMRYJJIEM-JOCHJYFZSA-N 0 0 487.693 4.547 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492718910 1066888842 /nfs/dbraw/zinc/88/88/42/1066888842.db2.gz WABJEOUCCULQDS-MBSDFSHPSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c(OC(C)C)c1 ZINC001457637705 1066889174 /nfs/dbraw/zinc/88/91/74/1066889174.db2.gz ZSCJUCRIGCCUPD-UHFFFAOYSA-N 0 0 452.595 4.720 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(C)C)CC1 ZINC001492720053 1066889527 /nfs/dbraw/zinc/88/95/27/1066889527.db2.gz CZKFEPOXHDSKSG-LJQANCHMSA-N 0 0 454.594 4.828 20 0 JJADRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001457640795 1066889685 /nfs/dbraw/zinc/88/96/85/1066889685.db2.gz UMXBDVDCMDMUSM-RBBKRZOGSA-N 0 0 456.876 4.660 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 ZINC001457641142 1066889722 /nfs/dbraw/zinc/88/97/22/1066889722.db2.gz ZALVOMAESQTCNQ-HXUWFJFHSA-N 0 0 450.970 4.991 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(NCC2CC2)nc1 ZINC001448005926 1066889982 /nfs/dbraw/zinc/88/99/82/1066889982.db2.gz RIHOYNIMFCJVRZ-NRFANRHFSA-N 0 0 451.368 4.775 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)cnn1CCO[C@@H]1CCCCO1 ZINC001457645811 1066890240 /nfs/dbraw/zinc/89/02/40/1066890240.db2.gz NXNXFHRAPWFNAE-XMMPIXPASA-N 0 0 451.571 4.507 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c2ccccc2OC)cc1 ZINC001546002202 1066890465 /nfs/dbraw/zinc/89/04/65/1066890465.db2.gz CLEKVKVNSCWKNI-UWUFEASWSA-N 0 0 468.594 4.993 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492720882 1066890828 /nfs/dbraw/zinc/89/08/28/1066890828.db2.gz DQKHPABYWPOBQE-MRXNPFEDSA-N 0 0 482.938 4.545 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492720712 1066890937 /nfs/dbraw/zinc/89/09/37/1066890937.db2.gz YWTKXNWWDHOOIK-UGKGYDQZSA-N 0 0 487.048 4.721 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492720798 1066890981 /nfs/dbraw/zinc/89/09/81/1066890981.db2.gz BAKCOVCWTPZNGJ-RUZDIDTESA-N 0 0 488.583 4.587 20 0 JJADRN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457655282 1066890846 /nfs/dbraw/zinc/89/08/46/1066890846.db2.gz RFUSKIJWLHVAHY-UHFFFAOYSA-N 0 0 459.402 4.893 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1Cl ZINC001457652213 1066891008 /nfs/dbraw/zinc/89/10/08/1066891008.db2.gz NYUXDTLTJKTINN-ICSRJNTNSA-N 0 0 450.938 4.591 20 0 JJADRN CC[C@]1(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC001448021149 1066891000 /nfs/dbraw/zinc/89/10/00/1066891000.db2.gz MDRLWKQBCYCCOY-KSFYIVLOSA-N 0 0 455.521 4.580 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CC2(O)CCCCCC2)CC1 ZINC001448021686 1066891083 /nfs/dbraw/zinc/89/10/83/1066891083.db2.gz JYJLHOWHMHXGSI-UBFVSLLYSA-N 0 0 456.671 4.720 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(Br)c1 ZINC001457655784 1066891067 /nfs/dbraw/zinc/89/10/67/1066891067.db2.gz SKXOHQOFWGBVRC-INIZCTEOSA-N 0 0 451.792 4.523 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492720903 1066891469 /nfs/dbraw/zinc/89/14/69/1066891469.db2.gz FJQXFPQULVKKKM-GJZGRUSLSA-N 0 0 457.420 4.731 20 0 JJADRN O=C(Nc1ccc(Cl)cc1Br)c1ccc(Br)cc1-n1cncn1 ZINC001457659596 1066891561 /nfs/dbraw/zinc/89/15/61/1066891561.db2.gz FAXMIZQDXBGKCL-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001448023649 1066891737 /nfs/dbraw/zinc/89/17/37/1066891737.db2.gz NPHSUINSZFQSTP-FQEVSTJZSA-N 0 0 451.395 4.691 20 0 JJADRN CCc1nc(C(=O)NC[C@@H](OC)c2ccccc2Cl)nn1-c1c(Cl)cccc1Cl ZINC001457660285 1066892041 /nfs/dbraw/zinc/89/20/41/1066892041.db2.gz YJMVGXYCMCVUMM-MRXNPFEDSA-N 0 0 453.757 4.907 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492721199 1066892111 /nfs/dbraw/zinc/89/21/11/1066892111.db2.gz PCXQNTBBLRHJPT-UHFFFAOYSA-N 0 0 475.012 4.920 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492721487 1066892680 /nfs/dbraw/zinc/89/26/80/1066892680.db2.gz AFRHXWHVWCMJJD-FCHUYYIVSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1 ZINC001492721223 1066892690 /nfs/dbraw/zinc/89/26/90/1066892690.db2.gz PXJBAYOSVAQXDJ-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 ZINC001492721411 1066892786 /nfs/dbraw/zinc/89/27/86/1066892786.db2.gz XVTHFYYDCQAPOM-GFCCVEGCSA-N 0 0 463.811 4.606 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 ZINC001492722315 1066893154 /nfs/dbraw/zinc/89/31/54/1066893154.db2.gz YNLOCKNJDVEJRP-UHFFFAOYSA-N 0 0 471.447 4.591 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492722226 1066893395 /nfs/dbraw/zinc/89/33/95/1066893395.db2.gz VZLKSFOKKOIAGQ-NHCUHLMSSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 ZINC001492722589 1066893930 /nfs/dbraw/zinc/89/39/30/1066893930.db2.gz ICPNYPTXWPLYIB-UHFFFAOYSA-N 0 0 487.446 4.645 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)Cc2ccccn2)n(C)n1 ZINC001492724016 1066894808 /nfs/dbraw/zinc/89/48/08/1066894808.db2.gz ISRQDNNXSZCBED-IBGZPJMESA-N 0 0 480.016 4.810 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(CCC(F)(F)F)CC2CC2)n(C)n1 ZINC001492724129 1066894923 /nfs/dbraw/zinc/89/49/23/1066894923.db2.gz LZYUVTJLNTXRFF-MRXNPFEDSA-N 0 0 480.510 4.816 20 0 JJADRN C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC12CCCCC2 ZINC001448060925 1066895258 /nfs/dbraw/zinc/89/52/58/1066895258.db2.gz AWEVSSBLGUBWGJ-MRXNPFEDSA-N 0 0 452.667 4.721 20 0 JJADRN Cc1ccc(/C=C\c2cc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c3cc(Br)ccc3n2)o1 ZINC001457672981 1066895401 /nfs/dbraw/zinc/89/54/01/1066895401.db2.gz PSXYFUQQIGERMU-YZFBUXBQSA-N 0 0 453.336 4.736 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@@H](C)[C@H]2C)n(C)n1 ZINC001492724714 1066895470 /nfs/dbraw/zinc/89/54/70/1066895470.db2.gz IQOQZJFFCHIQHG-KGLIPLIRSA-N 0 0 451.427 4.672 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@H](C)[C@H]2C)n(C)n1 ZINC001492724718 1066895504 /nfs/dbraw/zinc/89/55/04/1066895504.db2.gz IQOQZJFFCHIQHG-ZIAGYGMSSA-N 0 0 451.427 4.672 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)c2)no1 ZINC001448064785 1066895735 /nfs/dbraw/zinc/89/57/35/1066895735.db2.gz HVTZJUFXSIAKNB-UHFFFAOYSA-N 0 0 451.542 4.674 20 0 JJADRN CN(C)[C@@H](CNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448067237 1066895745 /nfs/dbraw/zinc/89/57/45/1066895745.db2.gz OUPDKEJWBURGPI-QFIPXVFZSA-N 0 0 456.464 4.675 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCOC(C)(C)C)n(C)n1 ZINC001492725202 1066895807 /nfs/dbraw/zinc/89/58/07/1066895807.db2.gz WZVJQEOHQSOWKO-UHFFFAOYSA-N 0 0 451.402 4.593 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCCc2ccccc2)n(C)n1 ZINC001492725184 1066895818 /nfs/dbraw/zinc/89/58/18/1066895818.db2.gz WKSBRQSCOSHSKO-UHFFFAOYSA-N 0 0 485.455 4.928 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC(C(C)C)CC2)n(C)n1 ZINC001492725276 1066895888 /nfs/dbraw/zinc/89/58/88/1066895888.db2.gz ZBWNZGIYHFJFSP-UHFFFAOYSA-N 0 0 457.420 4.670 20 0 JJADRN CCc1[nH]nc(NC(=O)COc2ccc3ccccc3c2Br)c1Br ZINC001457680261 1066895830 /nfs/dbraw/zinc/89/58/30/1066895830.db2.gz IDUROKKVQADEFS-UHFFFAOYSA-N 0 0 453.134 4.668 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1cc(NCc2ccccc2)nc2ccccc21)c1cccc(Cl)c1 ZINC001457681090 1066896469 /nfs/dbraw/zinc/89/64/69/1066896469.db2.gz MRIIBQJPTQCMGF-HSZRJFAPSA-N 0 0 458.949 4.847 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1O ZINC001457683155 1066896530 /nfs/dbraw/zinc/89/65/30/1066896530.db2.gz QMVIAXNJOVPMEZ-UHFFFAOYSA-N 0 0 457.530 4.927 20 0 JJADRN CCCc1c(C(=O)Nc2cccc3ccncc32)nnn1Cc1cccc(Br)c1 ZINC001457681887 1066896572 /nfs/dbraw/zinc/89/65/72/1066896572.db2.gz DSDQLYOBTGSCMO-UHFFFAOYSA-N 0 0 450.340 4.842 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(-c4ccc(Cl)nc4)nnc3N(C)CCC(F)(F)F)cn2)n1 ZINC001492728287 1066897606 /nfs/dbraw/zinc/89/76/06/1066897606.db2.gz ZNMPSXUXBKJZTK-UHFFFAOYSA-N 0 0 490.921 4.628 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(C(C)C)nnc3N(C)[C@@H](C)CCc3ccc(O)cc3)cn2)n1 ZINC001492727922 1066897625 /nfs/dbraw/zinc/89/76/25/1066897625.db2.gz MHTDULDRFBUEQN-FQEVSTJZSA-N 0 0 473.625 4.810 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[C@@](C)(O)c3ccccc3)C2)n1 ZINC001492728358 1066897740 /nfs/dbraw/zinc/89/77/40/1066897740.db2.gz BHDYDXPKMJANSX-ATIYNZHBSA-N 0 0 450.631 4.528 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC001457688435 1066897962 /nfs/dbraw/zinc/89/79/62/1066897962.db2.gz MCQSNWXYVFKKOC-UHFFFAOYSA-N 0 0 451.567 4.589 20 0 JJADRN Cc1cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(C)c1OCc1cccnc1 ZINC001448079084 1066898069 /nfs/dbraw/zinc/89/80/69/1066898069.db2.gz SJHUNCVKPXTUPG-BGYRXZFFSA-N 0 0 453.583 4.747 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccc(Cl)cc3)C2)n1 ZINC001492728675 1066898089 /nfs/dbraw/zinc/89/80/89/1066898089.db2.gz JADHXGWXHMJXMA-OXJNMPFZSA-N 0 0 472.037 4.746 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c(Oc2ccccc2)c1 ZINC001457692034 1066898331 /nfs/dbraw/zinc/89/83/31/1066898331.db2.gz RYQZAEDGDXWGLZ-UHFFFAOYSA-N 0 0 458.558 4.721 20 0 JJADRN COC(=O)CC1(CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)CCCCC1 ZINC001448097087 1066899451 /nfs/dbraw/zinc/89/94/51/1066899451.db2.gz DTJFQUONDFNVBM-UHFFFAOYSA-N 0 0 454.514 4.996 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCCC(C)C)C2)n1 ZINC001492729730 1066899770 /nfs/dbraw/zinc/89/97/70/1066899770.db2.gz JAWDIHLAPUVROI-OAQYLSRUSA-N 0 0 472.037 4.711 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3Br)nc2c1 ZINC001448107045 1066899917 /nfs/dbraw/zinc/89/99/17/1066899917.db2.gz URDIMYDOIJJGMO-LLVKDONJSA-N 0 0 452.736 4.634 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)nc2c1 ZINC001448107147 1066899969 /nfs/dbraw/zinc/89/99/69/1066899969.db2.gz VVKAITLPILSHHT-GHMZBOCLSA-N 0 0 452.736 4.632 20 0 JJADRN CN(c1ccccc1NC(=O)CCN1c2ccccc2Sc2ccccc21)S(C)(=O)=O ZINC001457699771 1066899948 /nfs/dbraw/zinc/89/99/48/1066899948.db2.gz SFIVBLBATJPQDI-UHFFFAOYSA-N 0 0 453.589 4.714 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)[C@H](C1CCCCC1)C2 ZINC001457701655 1066899999 /nfs/dbraw/zinc/89/99/99/1066899999.db2.gz WTUDMXYAUKEAOO-XDHUDOTRSA-N 0 0 459.583 4.530 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)c1 ZINC001457700295 1066900024 /nfs/dbraw/zinc/90/00/24/1066900024.db2.gz UVHQSULKHFTHAH-UHFFFAOYSA-N 0 0 455.624 4.876 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC(C)(C)C)C2)n1 ZINC001492729890 1066900343 /nfs/dbraw/zinc/90/03/43/1066900343.db2.gz MJIIIQIDACLKJP-SFHVURJKSA-N 0 0 490.450 4.506 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)n1 ZINC001492730217 1066900365 /nfs/dbraw/zinc/90/03/65/1066900365.db2.gz RGBJLCHKFIRVFB-GOSISDBHSA-N 0 0 472.435 4.804 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730225 1066900434 /nfs/dbraw/zinc/90/04/34/1066900434.db2.gz RITWGAKKTMZUQH-ATIYNZHBSA-N 0 0 472.678 4.656 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cn(CC)c4ccc(Cl)cc4c3=O)n2)cc1 ZINC001457703987 1066900341 /nfs/dbraw/zinc/90/03/41/1066900341.db2.gz WEOWLWARJNFDNT-CQSZACIVSA-N 0 0 450.926 4.778 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(Br)cc2[nH]cnc21 ZINC001448108892 1066900461 /nfs/dbraw/zinc/90/04/61/1066900461.db2.gz IBSKQXKZSGYHNQ-NSHDSACASA-N 0 0 450.720 4.646 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCCc3ccnc(C(C)(C)C)n3)C2)n1 ZINC001492730368 1066900673 /nfs/dbraw/zinc/90/06/73/1066900673.db2.gz UZAJPLFHOWMABA-QFIPXVFZSA-N 0 0 464.662 4.777 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccn4C)n3CCCSCC(C)C)C2)n1 ZINC001492730576 1066900696 /nfs/dbraw/zinc/90/06/96/1066900696.db2.gz YLMNSTVWVJUORH-OAQYLSRUSA-N 0 0 455.676 4.718 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)nc2ccccc21 ZINC001457707017 1066900801 /nfs/dbraw/zinc/90/08/01/1066900801.db2.gz AGNMBSUJDBKVKC-UHFFFAOYSA-N 0 0 454.552 4.670 20 0 JJADRN CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001457707160 1066900885 /nfs/dbraw/zinc/90/08/85/1066900885.db2.gz SNPQAGYOHRJSHR-UHFFFAOYSA-N 0 0 450.442 4.957 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C2)n1 ZINC001492730857 1066901173 /nfs/dbraw/zinc/90/11/73/1066901173.db2.gz FQDMGCCDKWWDDY-NRFANRHFSA-N 0 0 454.594 4.740 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448115616 1066901555 /nfs/dbraw/zinc/90/15/55/1066901555.db2.gz FDKJOWKFRZPOML-FOIQADDNSA-N 0 0 450.526 4.731 20 0 JJADRN CC[C@]1(CO)CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001448118203 1066901575 /nfs/dbraw/zinc/90/15/75/1066901575.db2.gz YBGBDUPLROPVGD-IRLDBZIGSA-N 0 0 450.348 4.719 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccsc3Br)C2)n1 ZINC001492730992 1066901641 /nfs/dbraw/zinc/90/16/41/1066901641.db2.gz JAKCHOCFVRUHKM-KRWDZBQOSA-N 0 0 492.491 4.789 20 0 JJADRN O=C(c1ccccc1I)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001457711026 1066901656 /nfs/dbraw/zinc/90/16/56/1066901656.db2.gz GBXPVHUYHCVSNX-ZDUSSCGKSA-N 0 0 452.361 4.646 20 0 JJADRN Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4ccc(CS(C)(=O)=O)c(F)c4)ccc32)c1 ZINC001457710803 1066901674 /nfs/dbraw/zinc/90/16/74/1066901674.db2.gz LIPXFLNHKOFGSK-UHFFFAOYSA-N 0 0 451.523 4.578 20 0 JJADRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(Cl)ccc1I ZINC001457709738 1066901698 /nfs/dbraw/zinc/90/16/98/1066901698.db2.gz FQMZZWMGHFUMTG-JTQLQIEISA-N 0 0 456.736 4.915 20 0 JJADRN CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1C ZINC001457710651 1066901795 /nfs/dbraw/zinc/90/17/95/1066901795.db2.gz XPUWTQGVSRZUTM-UHFFFAOYSA-N 0 0 456.951 4.582 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3c(F)cc(F)c(F)c3F)C2)n1 ZINC001492731611 1066902833 /nfs/dbraw/zinc/90/28/33/1066902833.db2.gz VOGWYTSAHLUOJO-MRXNPFEDSA-N 0 0 464.511 4.736 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001546002929 1066902964 /nfs/dbraw/zinc/90/29/64/1066902964.db2.gz ACICTSWZPPUMCE-FGZHOGPDSA-N 0 0 499.656 4.668 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCOCCC(C)C)C2)n1 ZINC001492731769 1066903181 /nfs/dbraw/zinc/90/31/81/1066903181.db2.gz WUHYDPKYKDIMDY-DEOSSOPVSA-N 0 0 468.621 4.726 20 0 JJADRN Cc1cc(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cnc1N1CCCC[C@@H]1C ZINC001457715802 1066903236 /nfs/dbraw/zinc/90/32/36/1066903236.db2.gz ISOLXMLQCNCJGX-HNNXBMFYSA-N 0 0 457.003 4.608 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCSCC(F)(F)F)C2)n1 ZINC001492731806 1066903337 /nfs/dbraw/zinc/90/33/37/1066903337.db2.gz XPGKYDVBIXICPH-LJQANCHMSA-N 0 0 496.578 4.958 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1 ZINC001448131632 1066903514 /nfs/dbraw/zinc/90/35/14/1066903514.db2.gz SBNGODBKKOLZER-UQBPGWFLSA-N 0 0 459.587 4.830 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 ZINC001448129252 1066903615 /nfs/dbraw/zinc/90/36/15/1066903615.db2.gz AKIOSNIXQKFGMD-UHFFFAOYSA-N 0 0 459.587 4.972 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001448132005 1066903663 /nfs/dbraw/zinc/90/36/63/1066903663.db2.gz PEQQTCUWKLVDFD-KBPBESRZSA-N 0 0 451.375 4.691 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2cccc(C(C)(C)O)c2)n1 ZINC001492732027 1066903666 /nfs/dbraw/zinc/90/36/66/1066903666.db2.gz HMFJKSNHPGWXQO-IBGZPJMESA-N 0 0 464.639 4.674 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(N2CCOCC2)c1 ZINC001457716913 1066903801 /nfs/dbraw/zinc/90/38/01/1066903801.db2.gz MQMSGDWUTRZGBM-UHFFFAOYSA-N 0 0 457.290 4.543 20 0 JJADRN C[C@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c2ccccc21 ZINC001448133122 1066903928 /nfs/dbraw/zinc/90/39/28/1066903928.db2.gz RQHIRFVIEACSGD-IZHWHUGBSA-N 0 0 457.958 4.826 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546003026 1066903989 /nfs/dbraw/zinc/90/39/89/1066903989.db2.gz BYJZIUPLIJQBFC-ROUUACIJSA-N 0 0 486.642 4.524 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2Cc2cc(COC(C)(C)C)on2)n1 ZINC001492732154 1066904186 /nfs/dbraw/zinc/90/41/86/1066904186.db2.gz JWURKELLUKXWBN-OAQYLSRUSA-N 0 0 491.640 4.997 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001457719740 1066904351 /nfs/dbraw/zinc/90/43/51/1066904351.db2.gz GACRPWSGUSOOAU-UHFFFAOYSA-N 0 0 457.162 4.694 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001457719802 1066904400 /nfs/dbraw/zinc/90/44/00/1066904400.db2.gz POPSCGAMZHGPEI-UHFFFAOYSA-N 0 0 458.274 4.995 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(N2CCOCC2)c1 ZINC001457718442 1066904420 /nfs/dbraw/zinc/90/44/20/1066904420.db2.gz UWUHUPYGOSAVPD-UHFFFAOYSA-N 0 0 459.974 4.762 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)cc12 ZINC001457722409 1066904608 /nfs/dbraw/zinc/90/46/08/1066904608.db2.gz YUKWSIUEBUDDTM-UHFFFAOYSA-N 0 0 457.552 4.640 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCC(Cc4ccc(F)c(F)c4)CC3)n2)cc1 ZINC001448153057 1066904700 /nfs/dbraw/zinc/90/47/00/1066904700.db2.gz GSSJMSQKYCRRMZ-UHFFFAOYSA-N 0 0 455.505 4.827 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001448154784 1066904907 /nfs/dbraw/zinc/90/49/07/1066904907.db2.gz LGKKLQHTVMLQHM-UHFFFAOYSA-N 0 0 459.924 4.604 20 0 JJADRN COC(=O)c1cccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)c1 ZINC001457727705 1066905104 /nfs/dbraw/zinc/90/51/04/1066905104.db2.gz VYRYXSUOGUBNFF-NRFANRHFSA-N 0 0 454.320 4.672 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC001457724726 1066905122 /nfs/dbraw/zinc/90/51/22/1066905122.db2.gz KVOAKENOZOZOKV-NKRSRWBGSA-N 0 0 452.599 4.865 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)[C@H]1Oc1ccccc1 ZINC001448157594 1066905314 /nfs/dbraw/zinc/90/53/14/1066905314.db2.gz HTEBOFCVVHAYSD-SFHLNBCPSA-N 0 0 459.468 4.759 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)c2)n1 ZINC001457729485 1066905829 /nfs/dbraw/zinc/90/58/29/1066905829.db2.gz VMKVUZQANHDQHO-UHFFFAOYSA-N 0 0 450.495 4.988 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CCc1cccs1)NC(=O)OC(C)(C)C ZINC001546003191 1066906142 /nfs/dbraw/zinc/90/61/42/1066906142.db2.gz FHWTZZLRANJVFS-SFHVURJKSA-N 0 0 475.684 4.974 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCCOC2CCCC2)n1 ZINC001492732694 1066906228 /nfs/dbraw/zinc/90/62/28/1066906228.db2.gz TZWGLOBPXQFNTI-HXUWFJFHSA-N 0 0 454.594 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@H]2CCCCS2)n1 ZINC001492733029 1066906512 /nfs/dbraw/zinc/90/65/12/1066906512.db2.gz ZRDREYVZJZIGPA-IEBWSBKVSA-N 0 0 460.598 4.901 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@H]2CCCCS2)n1 ZINC001492733031 1066906620 /nfs/dbraw/zinc/90/66/20/1066906620.db2.gz ZRDREYVZJZIGPA-PKOBYXMFSA-N 0 0 460.598 4.901 20 0 JJADRN COC(=O)[C@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1C)c1ccc(C)c(C)c1 ZINC001448170564 1066906679 /nfs/dbraw/zinc/90/66/79/1066906679.db2.gz UCVUHOIOOZVYND-OAQYLSRUSA-N 0 0 457.983 4.574 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCCN(c4ccccc4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492733363 1066906977 /nfs/dbraw/zinc/90/69/77/1066906977.db2.gz ITDIHFLMMRLOEI-XMMPIXPASA-N 0 0 463.674 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N[C@]3(Cc4ccc(Cl)cc4)CCOC3)c2C1 ZINC001448181205 1066907034 /nfs/dbraw/zinc/90/70/34/1066907034.db2.gz YIIHBEVXOWFWIQ-VWLOTQADSA-N 0 0 456.970 4.722 20 0 JJADRN O=C(c1nccc2cccnc21)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001448173459 1066907112 /nfs/dbraw/zinc/90/71/12/1066907112.db2.gz NBMMVYXUQDUDPW-MRXNPFEDSA-N 0 0 455.358 4.881 20 0 JJADRN O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001448181271 1066907534 /nfs/dbraw/zinc/90/75/34/1066907534.db2.gz YUIZLPNIIICWBY-NRFANRHFSA-N 0 0 450.844 4.744 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)C(F)(F)F)c2)cc1 ZINC001448182936 1066907583 /nfs/dbraw/zinc/90/75/83/1066907583.db2.gz AGGQVLVBPGHSRJ-UHFFFAOYSA-N 0 0 458.502 4.513 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3scnc3C)n2Cc2ccccc2C(F)(F)F)n1 ZINC001492734933 1066908175 /nfs/dbraw/zinc/90/81/75/1066908175.db2.gz FBXFZAPJUJKMEX-UHFFFAOYSA-N 0 0 475.544 4.608 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCCn2ccnc2C)n1 ZINC001492734954 1066908311 /nfs/dbraw/zinc/90/83/11/1066908311.db2.gz FOINFJDTGYEPNS-UHFFFAOYSA-N 0 0 485.011 4.554 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001457742580 1066908456 /nfs/dbraw/zinc/90/84/56/1066908456.db2.gz BGRXPFKUODHJBH-JOCHJYFZSA-N 0 0 451.535 4.671 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3scnc3C)n2CC(C)(C)c2ccc(F)cc2)n1 ZINC001492735077 1066908510 /nfs/dbraw/zinc/90/85/10/1066908510.db2.gz JHTPMVQCCLQZHX-UHFFFAOYSA-N 0 0 467.618 4.658 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492735142 1066908589 /nfs/dbraw/zinc/90/85/89/1066908589.db2.gz LRYDZHVRKASKPJ-JXFKEZNVSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492735150 1066908665 /nfs/dbraw/zinc/90/86/65/1066908665.db2.gz LTSQCDITTKRDIP-XMMPIXPASA-N 0 0 479.579 4.889 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)[C@H]2CSC(c3ccccc3O)=N2)CC1 ZINC001448195857 1066908874 /nfs/dbraw/zinc/90/88/74/1066908874.db2.gz LRDJYPGWZHGZAZ-GOSISDBHSA-N 0 0 459.409 4.597 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC001448195064 1066908992 /nfs/dbraw/zinc/90/89/92/1066908992.db2.gz KBLYPMWYUPTEHY-UHFFFAOYSA-N 0 0 454.162 4.506 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccc(OCC4CC4)c(F)c3)no2)c1 ZINC001457743462 1066908976 /nfs/dbraw/zinc/90/89/76/1066908976.db2.gz SVKYNJALMBZFKV-HNNXBMFYSA-N 0 0 452.482 4.875 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H]2CCCSC2)n1 ZINC001492735433 1066909024 /nfs/dbraw/zinc/90/90/24/1066909024.db2.gz WDPQELVVXUGZJE-LJQANCHMSA-N 0 0 489.487 4.682 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)nc1 ZINC001457745696 1066909303 /nfs/dbraw/zinc/90/93/03/1066909303.db2.gz FMLUTKAPBSAPFM-FQEVSTJZSA-N 0 0 457.299 4.679 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2[C@@H]2C[C@H]2C(C)C)n1 ZINC001492735878 1066909504 /nfs/dbraw/zinc/90/95/04/1066909504.db2.gz MZZUPBFEWJJMCG-VQTJNVASSA-N 0 0 457.420 4.756 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001457746843 1066909911 /nfs/dbraw/zinc/90/99/11/1066909911.db2.gz KXQHOABKVMAEQM-VBKZILBWSA-N 0 0 450.760 4.912 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2ccc(C(C)(C)O)cc2)n1 ZINC001492735893 1066909893 /nfs/dbraw/zinc/90/98/93/1066909893.db2.gz NMFGOIJQIMFPDI-UHFFFAOYSA-N 0 0 485.057 4.767 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001492735972 1066909913 /nfs/dbraw/zinc/90/99/13/1066909913.db2.gz PJVCTEDVNXKQCA-UHFFFAOYSA-N 0 0 481.645 4.912 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CC2(O)CCCCCC2)n1 ZINC001492735995 1066909989 /nfs/dbraw/zinc/90/99/89/1066909989.db2.gz QHQHKTICMJOHNQ-UHFFFAOYSA-N 0 0 490.574 4.880 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccccc1F ZINC001546003683 1066910256 /nfs/dbraw/zinc/91/02/56/1066910256.db2.gz NYTSBSHBHUJHCW-WOJBJXKFSA-N 0 0 458.603 4.790 20 0 JJADRN COc1cc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)ncc1Br ZINC001457748017 1066910219 /nfs/dbraw/zinc/91/02/19/1066910219.db2.gz WFKRKFCHUREKCD-UHFFFAOYSA-N 0 0 450.720 4.744 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CCCSC2)n1 ZINC001492736053 1066910237 /nfs/dbraw/zinc/91/02/37/1066910237.db2.gz SJUFNRWOSWYCAF-IBGZPJMESA-N 0 0 489.487 4.682 20 0 JJADRN Cc1nn(CC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c(C)c1Cl ZINC001457748503 1066910252 /nfs/dbraw/zinc/91/02/52/1066910252.db2.gz LFIBHFGYKMRBFP-FQEVSTJZSA-N 0 0 450.739 4.961 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC001457747218 1066910339 /nfs/dbraw/zinc/91/03/39/1066910339.db2.gz MDSYLYACGGAXTE-HUUCEWRRSA-N 0 0 450.457 4.848 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492735719 1066910334 /nfs/dbraw/zinc/91/03/34/1066910334.db2.gz GVEWSNIAZUAPLP-UHFFFAOYSA-N 0 0 474.487 4.624 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492735668 1066910366 /nfs/dbraw/zinc/91/03/66/1066910366.db2.gz FKHIWGAZGPHFNV-CEQLMSFQSA-N 0 0 488.583 4.581 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492735669 1066910394 /nfs/dbraw/zinc/91/03/94/1066910394.db2.gz FKHIWGAZGPHFNV-OALUTQOASA-N 0 0 488.583 4.581 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC001546093599 1066910732 /nfs/dbraw/zinc/91/07/32/1066910732.db2.gz QNFQQEMDBZWSIM-VWLOTQADSA-N 0 0 459.635 4.508 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC001457751928 1066911182 /nfs/dbraw/zinc/91/11/82/1066911182.db2.gz XPXQPRIAVUUFMZ-IBGZPJMESA-N 0 0 454.542 4.793 20 0 JJADRN COC(=O)CN(CC(C)C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001457751270 1066911190 /nfs/dbraw/zinc/91/11/90/1066911190.db2.gz CMQKQHBQLWBONI-UHFFFAOYSA-N 0 0 455.352 4.936 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2Cc2c(F)cccc2OC(F)F)n1 ZINC001492736354 1066911078 /nfs/dbraw/zinc/91/10/78/1066911078.db2.gz CZLXWKKXAULYLD-UHFFFAOYSA-N 0 0 476.528 4.626 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492736298 1066911264 /nfs/dbraw/zinc/91/12/64/1066911264.db2.gz BJSROCATSVHVRD-UKILVPOCSA-N 0 0 450.631 4.536 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546003805 1066911115 /nfs/dbraw/zinc/91/11/15/1066911115.db2.gz QMEXRRNNOBOYSR-LZLYRXPVSA-N 0 0 465.689 4.564 20 0 JJADRN CCC(CC)(CCO)NC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 ZINC001448230161 1066911666 /nfs/dbraw/zinc/91/16/66/1066911666.db2.gz QVVRQNOIZKAPMR-UHFFFAOYSA-N 0 0 456.402 4.769 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001448229625 1066911703 /nfs/dbraw/zinc/91/17/03/1066911703.db2.gz NIMXOEJUHYCFBJ-HSZRJFAPSA-N 0 0 450.579 4.936 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001448229627 1066911715 /nfs/dbraw/zinc/91/17/15/1066911715.db2.gz NIMXOEJUHYCFBJ-QHCPKHFHSA-N 0 0 450.579 4.936 20 0 JJADRN O=C(Nc1ccc(Br)c(O)c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457753216 1066911957 /nfs/dbraw/zinc/91/19/57/1066911957.db2.gz YGBGSFIHJONPEU-KRWDZBQOSA-N 0 0 454.162 4.693 20 0 JJADRN Cc1cc2cc(C(=O)Nc3ccc(Cl)c(CN(C)CCO)c3)oc2c(Br)c1 ZINC001448231168 1066912318 /nfs/dbraw/zinc/91/23/18/1066912318.db2.gz ZPKZCRUERDLURA-UHFFFAOYSA-N 0 0 451.748 4.834 20 0 JJADRN Cc1ccc(Sc2nsc(NC(=O)[C@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001457757091 1066912645 /nfs/dbraw/zinc/91/26/45/1066912645.db2.gz NDRHMBJDCRLUNV-DZGCQCFKSA-N 0 0 452.577 4.531 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)n1 ZINC001492737699 1066912809 /nfs/dbraw/zinc/91/28/09/1066912809.db2.gz BLHPANNWHMQCDM-RUZDIDTESA-N 0 0 471.049 4.717 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492737372 1066912853 /nfs/dbraw/zinc/91/28/53/1066912853.db2.gz QDKOWEOIDTVRBM-UHFFFAOYSA-N 0 0 480.567 4.675 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3csc(Br)c3)n2CCSCC(C)C)n1 ZINC001492737529 1066912882 /nfs/dbraw/zinc/91/28/82/1066912882.db2.gz WGEAJDNIUIKKNC-UHFFFAOYSA-N 0 0 497.532 4.989 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3cc4cc(C(F)(F)F)ccc4s3)C2)cc1F ZINC001448234743 1066913102 /nfs/dbraw/zinc/91/31/02/1066913102.db2.gz FLFJTTREAHVLCE-AWEZNQCLSA-N 0 0 452.429 4.991 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)C(C)(C)c3csc(-c4cccs4)n3)C2)cc1F ZINC001448235340 1066913115 /nfs/dbraw/zinc/91/31/15/1066913115.db2.gz GLTQRHVKNFVINW-AWEZNQCLSA-N 0 0 459.568 4.606 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccccc2OC2CCCC2)n1 ZINC001492738701 1066913530 /nfs/dbraw/zinc/91/35/30/1066913530.db2.gz HDHQWWOQHSOPGF-UHFFFAOYSA-N 0 0 476.547 4.898 20 0 JJADRN O=C(Nc1ncc(C2(O)CCCCC2)s1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001457764195 1066913936 /nfs/dbraw/zinc/91/39/36/1066913936.db2.gz WVENNQHZHVSCCH-ZDUSSCGKSA-N 0 0 454.379 4.593 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)CSCc2ccccn2)c1 ZINC001457764281 1066913989 /nfs/dbraw/zinc/91/39/89/1066913989.db2.gz OVJLROODPQZRTL-UHFFFAOYSA-N 0 0 459.980 4.940 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001457764581 1066914022 /nfs/dbraw/zinc/91/40/22/1066914022.db2.gz WOUSMQGXCYMXIX-HSZRJFAPSA-N 0 0 454.530 4.701 20 0 JJADRN CCn1nc(C)c(CC(=O)Nc2cc(C(=O)OC)ccc2Sc2ccc(Cl)cn2)c1C ZINC001457766416 1066914377 /nfs/dbraw/zinc/91/43/77/1066914377.db2.gz VBSHURDRGYOEJV-UHFFFAOYSA-N 0 0 458.971 4.687 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2CC(F)(F)Br)n1 ZINC001492739739 1066914384 /nfs/dbraw/zinc/91/43/84/1066914384.db2.gz SQNHWOPNXUAAHD-UHFFFAOYSA-N 0 0 481.389 4.587 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)C(=O)CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001448244909 1066914418 /nfs/dbraw/zinc/91/44/18/1066914418.db2.gz JGKAMWIZTOUJMG-UHFFFAOYSA-N 0 0 453.402 4.873 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)c3ccc(Br)[nH]c3=O)nc21 ZINC001457768129 1066914727 /nfs/dbraw/zinc/91/47/27/1066914727.db2.gz FOPNTORXLACJKU-UHFFFAOYSA-N 0 0 457.147 4.737 20 0 JJADRN COC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2ccc(C)cc2Br)nc1 ZINC001448245054 1066914896 /nfs/dbraw/zinc/91/48/96/1066914896.db2.gz JVTAVUFVJFXYAI-UHFFFAOYSA-N 0 0 459.365 4.843 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2[C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC001492740186 1066915244 /nfs/dbraw/zinc/91/52/44/1066915244.db2.gz KVKFSSAVCBUYGL-MXVIHJGJSA-N 0 0 454.594 4.649 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2CC2(C)CCCC2)n1 ZINC001492740263 1066915424 /nfs/dbraw/zinc/91/54/24/1066915424.db2.gz ODNATNOXPQCSRA-UHFFFAOYSA-N 0 0 457.022 4.889 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546004112 1066915635 /nfs/dbraw/zinc/91/56/35/1066915635.db2.gz WDZODTNNDVDFNY-HLLBOEOZSA-N 0 0 498.644 4.665 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1)NC(=O)OC(C)(C)C ZINC001546004158 1066915755 /nfs/dbraw/zinc/91/57/55/1066915755.db2.gz XCLVFVMCTNRMBP-AHRSYUTCSA-N 0 0 475.659 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)N(C)c2ccccc2)n1 ZINC001492740594 1066915839 /nfs/dbraw/zinc/91/58/39/1066915839.db2.gz ATRRSAXZTQQURR-JOCHJYFZSA-N 0 0 461.614 4.673 20 0 JJADRN O=C(NOC[C@@H]1CCOC1)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc21 ZINC001457772955 1066916132 /nfs/dbraw/zinc/91/61/32/1066916132.db2.gz PGHAWXNYHXOFJX-ZRUQZJFASA-N 0 0 459.365 4.927 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[C@@H]2CCO[C@H](C)C2)n1 ZINC001492740873 1066916259 /nfs/dbraw/zinc/91/62/59/1066916259.db2.gz LLLBQLOKWJDHNL-RTBURBONSA-N 0 0 468.568 4.514 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1ccc(OC)c(Br)n1)[C@H](c1ccccc1)C2 ZINC001457774521 1066916438 /nfs/dbraw/zinc/91/64/38/1066916438.db2.gz OUKFXMLXILNYAG-FQEVSTJZSA-N 0 0 453.336 4.801 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1cc(-c2ccccc2F)on1 ZINC001457774829 1066916481 /nfs/dbraw/zinc/91/64/81/1066916481.db2.gz DEECQABTSSTRCT-HHHXNRCGSA-N 0 0 451.317 4.770 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775215 1066916976 /nfs/dbraw/zinc/91/69/76/1066916976.db2.gz SFCBWJIMSPLPTE-CXAGYDPISA-N 0 0 453.753 4.680 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775220 1066917062 /nfs/dbraw/zinc/91/70/62/1066917062.db2.gz SFCBWJIMSPLPTE-DYVFJYSZSA-N 0 0 453.753 4.680 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001546004423 1066917073 /nfs/dbraw/zinc/91/70/73/1066917073.db2.gz CMZUULCZINPXGE-HZPDHXFCSA-N 0 0 455.780 4.610 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492741263 1066917085 /nfs/dbraw/zinc/91/70/85/1066917085.db2.gz WQDAXLFFGJDZJJ-JOCHJYFZSA-N 0 0 499.704 4.802 20 0 JJADRN C[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308565 1066917218 /nfs/dbraw/zinc/91/72/18/1066917218.db2.gz QJEUZRFHWYVRIJ-ZBFHGGJFSA-N 0 0 455.407 4.889 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H](C)COCc2ccccc2)n1 ZINC001492741900 1066917467 /nfs/dbraw/zinc/91/74/67/1066917467.db2.gz IQNZRKZVFLDZFF-RTWAWAEBSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC001448338373 1066917607 /nfs/dbraw/zinc/91/76/07/1066917607.db2.gz NLIDYRIKFPWCGT-INIZCTEOSA-N 0 0 451.773 4.998 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1OCC ZINC001457778149 1066917835 /nfs/dbraw/zinc/91/78/35/1066917835.db2.gz GWEAURWWSRZNJS-UHFFFAOYSA-N 0 0 457.477 4.764 20 0 JJADRN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)C1 ZINC001448345914 1066918152 /nfs/dbraw/zinc/91/81/52/1066918152.db2.gz CYUWEDMVIAEUQI-XFQXTVEOSA-N 0 0 458.990 4.550 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492743079 1066918399 /nfs/dbraw/zinc/91/83/99/1066918399.db2.gz LRMKUQZKAGIZFM-HSZRJFAPSA-N 0 0 477.657 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](c4ccccc4)C[C@H]3C)n2CCSCC(C)C)n1 ZINC001492742810 1066918444 /nfs/dbraw/zinc/91/84/44/1066918444.db2.gz SQIFCOMMUZHLQZ-OFNKIYASSA-N 0 0 452.672 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3cccc(NCc4cncs4)c3)C2)C1 ZINC001448352912 1066918727 /nfs/dbraw/zinc/91/87/27/1066918727.db2.gz IBQGOAPCXAPXBI-XMMPIXPASA-N 0 0 456.612 4.618 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2F)co1)OCc1ccccc1 ZINC001457784869 1066918987 /nfs/dbraw/zinc/91/89/87/1066918987.db2.gz FISQRVXPDQNUFM-JOCHJYFZSA-N 0 0 459.477 4.957 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCc2ccnc(C(C)(C)C)n2)n1 ZINC001492743420 1066918991 /nfs/dbraw/zinc/91/89/91/1066918991.db2.gz PXDMYNFLGXECSY-OAQYLSRUSA-N 0 0 478.689 4.732 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](CC(C)C)n2ccnc2)cc1 ZINC001448354235 1066919140 /nfs/dbraw/zinc/91/91/40/1066919140.db2.gz MKKAQNYDSHMZKW-XZOQPEGZSA-N 0 0 454.615 4.853 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccccc1OCC(F)F ZINC001457784274 1066919367 /nfs/dbraw/zinc/91/93/67/1066919367.db2.gz QYRQEWNVBLWREK-IBGZPJMESA-N 0 0 459.493 4.886 20 0 JJADRN O=C(c1cc2cc(Br)sc2[nH]1)N1CCOc2ccc(Br)cc2C1 ZINC001448357730 1066919406 /nfs/dbraw/zinc/91/94/06/1066919406.db2.gz WBGFTAOKFIJYJY-UHFFFAOYSA-N 0 0 456.159 4.789 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2c(F)cccc2Cl)n1 ZINC001492743794 1066919431 /nfs/dbraw/zinc/91/94/31/1066919431.db2.gz YASBYYVIQPGKGG-UHFFFAOYSA-N 0 0 468.886 4.679 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)cc(NC2CC2)n1 ZINC001448358042 1066919525 /nfs/dbraw/zinc/91/95/25/1066919525.db2.gz SIUBRIDAMXMGTO-NRFANRHFSA-N 0 0 454.546 4.538 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC001457787095 1066919622 /nfs/dbraw/zinc/91/96/22/1066919622.db2.gz FETZFPNLSRZEBT-UHFFFAOYSA-N 0 0 451.438 4.595 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C[C@H](O)c2cccc(F)c2)cc1 ZINC001448359779 1066919805 /nfs/dbraw/zinc/91/98/05/1066919805.db2.gz UORNDZDOKUIMAQ-GOTSBHOMSA-N 0 0 456.558 4.632 20 0 JJADRN CCCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(CC)cc2)c(C)n1 ZINC001448360849 1066919950 /nfs/dbraw/zinc/91/99/50/1066919950.db2.gz XHXBYQXWJAGDEO-HSZRJFAPSA-N 0 0 454.615 4.988 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)C)C3)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492744453 1066920116 /nfs/dbraw/zinc/92/01/16/1066920116.db2.gz OZXHMSARKCOLRI-FQEVSTJZSA-N 0 0 460.548 4.884 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN(C)c2ccccc2F)n1 ZINC001492744554 1066920176 /nfs/dbraw/zinc/92/01/76/1066920176.db2.gz RSMNUWCKJCEOKH-IBGZPJMESA-N 0 0 467.637 4.678 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)cc(C)c4C3)cc2)cc1C ZINC001448361922 1066920324 /nfs/dbraw/zinc/92/03/24/1066920324.db2.gz WJSVCPFTCJMAGZ-UHFFFAOYSA-N 0 0 452.551 4.750 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCOc3cccc(F)c3C2)cc1 ZINC001448373907 1066920763 /nfs/dbraw/zinc/92/07/63/1066920763.db2.gz PBBRZRCPZPEAAJ-UHFFFAOYSA-N 0 0 450.535 4.900 20 0 JJADRN COc1cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)ccc1OCc1cscn1 ZINC001448370850 1066920870 /nfs/dbraw/zinc/92/08/70/1066920870.db2.gz HHYBAMCPSZVFIM-SFTDATJTSA-N 0 0 454.548 4.665 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](c4ccccc4)[C@H]3C)n2CC(F)(F)Br)n1 ZINC001492745321 1066920927 /nfs/dbraw/zinc/92/09/27/1066920927.db2.gz LEEQPAGONWBLJQ-SJLPKXTDSA-N 0 0 479.373 4.510 20 0 JJADRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)[nH]1 ZINC001457790564 1066921181 /nfs/dbraw/zinc/92/11/81/1066921181.db2.gz WSITVQCTKMRCNK-AHIWAGSCSA-N 0 0 454.402 4.647 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(c4ccccc4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001492745431 1066921278 /nfs/dbraw/zinc/92/12/78/1066921278.db2.gz OQJAZDAOQYJAHU-HHHXNRCGSA-N 0 0 464.658 4.711 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc(F)c2ncccc2c1 ZINC001448383448 1066921624 /nfs/dbraw/zinc/92/16/24/1066921624.db2.gz CDQFLFRQFGHMFY-MRXNPFEDSA-N 0 0 457.221 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)C1 ZINC001448383383 1066921651 /nfs/dbraw/zinc/92/16/51/1066921651.db2.gz CCZDBMHXIOJETN-DVECYGJZSA-N 0 0 451.007 4.683 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)Oc2ccccc2F)n1 ZINC001492746038 1066921660 /nfs/dbraw/zinc/92/16/60/1066921660.db2.gz GDULGVZAFWLGJZ-MRXNPFEDSA-N 0 0 479.387 4.646 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001457790896 1066921779 /nfs/dbraw/zinc/92/17/79/1066921779.db2.gz NWYKMGSSDSSAFJ-OLZOCXBDSA-N 0 0 456.346 4.927 20 0 JJADRN O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448385641 1066921966 /nfs/dbraw/zinc/92/19/66/1066921966.db2.gz FJMDDXDUMDXRLE-UHFFFAOYSA-N 0 0 457.397 4.879 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@]12CCc1ccccc12 ZINC001448385595 1066921982 /nfs/dbraw/zinc/92/19/82/1066921982.db2.gz DSKWRIICDXPBMP-NSHGMRRFSA-N 0 0 454.286 4.522 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCc2cccc(F)c2)n1 ZINC001492746872 1066922261 /nfs/dbraw/zinc/92/22/61/1066922261.db2.gz IAXADVRPFPZPAG-UHFFFAOYSA-N 0 0 468.621 4.696 20 0 JJADRN C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC001457791314 1066922363 /nfs/dbraw/zinc/92/23/63/1066922363.db2.gz AUONSQBEUTWYPS-INIZCTEOSA-N 0 0 458.599 4.692 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001448389599 1066922539 /nfs/dbraw/zinc/92/25/39/1066922539.db2.gz AQJBCWVJALBCNC-SFHVURJKSA-N 0 0 458.578 4.731 20 0 JJADRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccnc2n[nH]nc21 ZINC001448391709 1066922556 /nfs/dbraw/zinc/92/25/56/1066922556.db2.gz CMACIUQDJFIBMN-LJQANCHMSA-N 0 0 455.440 4.654 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4ccc(Br)cc4C3)n2CCCC(C)C)n1 ZINC001492747926 1066922594 /nfs/dbraw/zinc/92/25/94/1066922594.db2.gz QSEOJEPSURVGTP-UHFFFAOYSA-N 0 0 471.447 4.901 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCOc2ccccc2C)n1 ZINC001492747376 1066922693 /nfs/dbraw/zinc/92/26/93/1066922693.db2.gz YQZCLEOQENKFRQ-UHFFFAOYSA-N 0 0 480.657 4.701 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC001457795576 1066922656 /nfs/dbraw/zinc/92/26/56/1066922656.db2.gz QRFXGJXJVIUEPM-CFVMTHIKSA-N 0 0 453.402 4.642 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1F ZINC001457794148 1066922680 /nfs/dbraw/zinc/92/26/80/1066922680.db2.gz YHYXDPLPKCPTLL-QHCPKHFHSA-N 0 0 454.542 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)[C@@H](c2cccnc2)C1 ZINC001448398822 1066922931 /nfs/dbraw/zinc/92/29/31/1066922931.db2.gz DOIUWAMWAJRALG-RTWAWAEBSA-N 0 0 457.958 4.517 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC001492748179 1066923071 /nfs/dbraw/zinc/92/30/71/1066923071.db2.gz YUKIUYAKQKLGOJ-XPWALMASSA-N 0 0 486.705 4.621 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)Oc1ccccc1F ZINC001546005494 1066923137 /nfs/dbraw/zinc/92/31/37/1066923137.db2.gz CYLUNUJJZCBBTR-QFIPXVFZSA-N 0 0 485.648 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)n1 ZINC001492748852 1066923507 /nfs/dbraw/zinc/92/35/07/1066923507.db2.gz PNJIBSGULFWREP-FGZHOGPDSA-N 0 0 499.704 4.706 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1O ZINC001457800511 1066923738 /nfs/dbraw/zinc/92/37/38/1066923738.db2.gz CLBWYZXWFAQGHE-JKSUJKDBSA-N 0 0 458.493 4.535 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCc2c(C)cccc2C)n1 ZINC001492749115 1066923838 /nfs/dbraw/zinc/92/38/38/1066923838.db2.gz UMHMGPZDBQGKNH-FQEVSTJZSA-N 0 0 460.548 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCc2ccc(Br)cc2)n1 ZINC001492749164 1066923963 /nfs/dbraw/zinc/92/39/63/1066923963.db2.gz VOHMQVJDRYOMLG-GOSISDBHSA-N 0 0 493.400 4.626 20 0 JJADRN CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)OC ZINC001546005622 1066924200 /nfs/dbraw/zinc/92/42/00/1066924200.db2.gz GDENZBLYFWGUAP-OAQYLSRUSA-N 0 0 490.574 4.935 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C)COCc2ccccc2)n1 ZINC001492749369 1066924196 /nfs/dbraw/zinc/92/41/96/1066924196.db2.gz ZLTVCOQWCXGLQA-BWKNWUBXSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(N3C(=S)N=NC3C)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001457805840 1066924423 /nfs/dbraw/zinc/92/44/23/1066924423.db2.gz KMJSVJNGXZZURB-UHFFFAOYSA-N 0 0 459.362 4.918 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC001492749394 1066924751 /nfs/dbraw/zinc/92/47/51/1066924751.db2.gz ZSKDRVISLGOOSK-ZWKOTPCHSA-N 0 0 478.975 4.742 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492749876 1066924766 /nfs/dbraw/zinc/92/47/66/1066924766.db2.gz LFQXDZBIFGPMAC-ZWKOTPCHSA-N 0 0 490.521 4.513 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001492749877 1066924976 /nfs/dbraw/zinc/92/49/76/1066924976.db2.gz LGEBCMMUKVUGTJ-BEFAXECRSA-N 0 0 461.383 4.602 20 0 JJADRN Cc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457806358 1066925056 /nfs/dbraw/zinc/92/50/56/1066925056.db2.gz MEJQAVDARQOQFI-UHFFFAOYSA-N 0 0 458.942 4.828 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001448409784 1066925115 /nfs/dbraw/zinc/92/51/15/1066925115.db2.gz ZHUOSPOGMJJJLW-MRXNPFEDSA-N 0 0 451.995 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001492751273 1066925876 /nfs/dbraw/zinc/92/58/76/1066925876.db2.gz WBEXARHFNRGXLT-OZXSUGGESA-N 0 0 450.631 4.668 20 0 JJADRN COc1nccc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc21 ZINC001457811931 1066926267 /nfs/dbraw/zinc/92/62/67/1066926267.db2.gz RELMPNTXPUJGFX-XMMPIXPASA-N 0 0 455.514 4.720 20 0 JJADRN COc1ccccc1[C@@](N)(C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C(F)(F)F ZINC001457811640 1066926306 /nfs/dbraw/zinc/92/63/06/1066926306.db2.gz TYJFIICDHOQLEI-LJQANCHMSA-N 0 0 455.889 4.505 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCSCC(C)C)n1 ZINC001492751338 1066926396 /nfs/dbraw/zinc/92/63/96/1066926396.db2.gz YNTPNNFQZWNZCO-JOCHJYFZSA-N 0 0 454.644 4.576 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCSCC(C)C)n1 ZINC001492751339 1066926414 /nfs/dbraw/zinc/92/64/14/1066926414.db2.gz YNTPNNFQZWNZCO-QFIPXVFZSA-N 0 0 454.644 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2F)C[C@@H]1[C@H]1CCCO1 ZINC001448434433 1066926647 /nfs/dbraw/zinc/92/66/47/1066926647.db2.gz HUSWYUPEJNEYRX-MORSLUCNSA-N 0 0 458.477 4.560 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492754135 1066926943 /nfs/dbraw/zinc/92/69/43/1066926943.db2.gz QXDOIRCFQAJMGW-AMGIVPHBSA-N 0 0 480.657 4.557 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C)Cc1ccccc1Br ZINC001457814763 1066927085 /nfs/dbraw/zinc/92/70/85/1066927085.db2.gz KVHNZKHETOKJTK-OAHLLOKOSA-N 0 0 458.352 4.553 20 0 JJADRN Cc1c2cc(C(=O)NC[C@H](NCc3ccccc3)C(F)(F)F)[nH]c2ccc1Br ZINC001457815558 1066927115 /nfs/dbraw/zinc/92/71/15/1066927115.db2.gz RZYWKBQUQBQABH-SFHVURJKSA-N 0 0 454.290 4.689 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCC(N2CCc3ccccc32)CC1 ZINC001448437072 1066927298 /nfs/dbraw/zinc/92/72/98/1066927298.db2.gz WGXSMLQFWSSIBA-UHFFFAOYSA-N 0 0 457.265 4.673 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCSC(C)(C)C3)n2Cc2cccc(C(C)(F)F)c2)n1 ZINC001492755582 1066927498 /nfs/dbraw/zinc/92/74/98/1066927498.db2.gz DIKGPRAAFTWURY-UHFFFAOYSA-N 0 0 460.598 4.632 20 0 JJADRN CCc1nnc(C)cc1C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457819598 1066928060 /nfs/dbraw/zinc/92/80/60/1066928060.db2.gz JKMNAQNKVNFSOK-UHFFFAOYSA-N 0 0 450.970 4.542 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)OC ZINC001546006043 1066928146 /nfs/dbraw/zinc/92/81/46/1066928146.db2.gz OAGARBDOUIHEBC-PZJWPPBQSA-N 0 0 464.557 4.615 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1c1ccccc1 ZINC001448447739 1066928422 /nfs/dbraw/zinc/92/84/22/1066928422.db2.gz HFIZXZRGWSIUOO-PKOBYXMFSA-N 0 0 452.448 4.977 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@H](C)COCc3ccccc3)CC2)n1 ZINC001492757694 1066928460 /nfs/dbraw/zinc/92/84/60/1066928460.db2.gz KKTJPUJCGKRNHO-NRFANRHFSA-N 0 0 464.658 4.984 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3ccccc3OC(F)F)C2)n1 ZINC001492756739 1066928547 /nfs/dbraw/zinc/92/85/47/1066928547.db2.gz KXRPACRLNAWCLV-LJQANCHMSA-N 0 0 487.599 4.545 20 0 JJADRN COC[C@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1Cl ZINC001448445355 1066928584 /nfs/dbraw/zinc/92/85/84/1066928584.db2.gz AJUKXXDDBGCBFH-ASNKMWSDSA-N 0 0 454.929 4.641 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492757344 1066928834 /nfs/dbraw/zinc/92/88/34/1066928834.db2.gz WYVIPQSFZQRYGH-PXNSSMCTSA-N 0 0 491.562 4.722 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Cc3ccc(-n4cnnn4)cc3)c2)cc1 ZINC001457826884 1066928911 /nfs/dbraw/zinc/92/89/11/1066928911.db2.gz DXRGFNAVYJZUSR-FQEVSTJZSA-N 0 0 455.562 4.879 20 0 JJADRN Cc1c(NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001448448858 1066928823 /nfs/dbraw/zinc/92/88/23/1066928823.db2.gz BWGWGGDBHPVZHN-JKSUJKDBSA-N 0 0 477.453 4.691 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001448449705 1066928881 /nfs/dbraw/zinc/92/88/81/1066928881.db2.gz BSDCSCMBRMCAQP-INIZCTEOSA-N 0 0 458.868 4.755 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(F)(F)c2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC001448450858 1066928983 /nfs/dbraw/zinc/92/89/83/1066928983.db2.gz MMBYWXCHMTZXDX-RBUKOAKNSA-N 0 0 452.448 4.576 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CO[C@@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC001448450967 1066929023 /nfs/dbraw/zinc/92/90/23/1066929023.db2.gz MWOKWXIBPDJTOQ-RBZQAINGSA-N 0 0 450.579 4.600 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CCN2)cc1 ZINC001448452243 1066929273 /nfs/dbraw/zinc/92/92/73/1066929273.db2.gz RDOJWBYETWQNHD-JOCHJYFZSA-N 0 0 456.011 4.654 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)n1 ZINC001492757949 1066929413 /nfs/dbraw/zinc/92/94/13/1066929413.db2.gz RFVUPXGICGFBCX-GOTSBHOMSA-N 0 0 456.679 4.973 20 0 JJADRN C[C@@](O)(CNC(=O)c1cc2ccccc2cc1OC(F)F)c1ccccc1Br ZINC001448451981 1066929312 /nfs/dbraw/zinc/92/93/12/1066929312.db2.gz FNPOQKDGJUGHAZ-OAQYLSRUSA-N 0 0 450.279 4.841 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CCN2)cc1 ZINC001448454273 1066929346 /nfs/dbraw/zinc/92/93/46/1066929346.db2.gz ULVGONAXSNMUDQ-OAQYLSRUSA-N 0 0 454.640 4.548 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)c1C1CC1 ZINC001448453445 1066929417 /nfs/dbraw/zinc/92/94/17/1066929417.db2.gz RNZHZAJQODFFHK-VOQZNFBZSA-N 0 0 452.599 4.864 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001457827117 1066929388 /nfs/dbraw/zinc/92/93/88/1066929388.db2.gz AGJHCPVVMSZKIJ-UHFFFAOYSA-N 0 0 455.440 4.995 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)n1 ZINC001457829020 1066929523 /nfs/dbraw/zinc/92/95/23/1066929523.db2.gz QUBUQAMVILZJEN-UHFFFAOYSA-N 0 0 454.361 4.971 20 0 JJADRN C[C@](O)(CNC(=O)c1cc2ccccc2cc1OC(F)F)c1ccccc1Br ZINC001448451974 1066929481 /nfs/dbraw/zinc/92/94/81/1066929481.db2.gz FNPOQKDGJUGHAZ-NRFANRHFSA-N 0 0 450.279 4.841 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccncc2)c1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457830027 1066929729 /nfs/dbraw/zinc/92/97/29/1066929729.db2.gz XLLUOFUQRSCAGD-IBGZPJMESA-N 0 0 455.562 4.929 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3Cc3nc(C(C)C)cs3)CC2)n1 ZINC001492758446 1066930094 /nfs/dbraw/zinc/93/00/94/1066930094.db2.gz DGOOYKQVQSMOIA-UHFFFAOYSA-N 0 0 455.676 4.835 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3C)CC2)n1 ZINC001492757756 1066930104 /nfs/dbraw/zinc/93/01/04/1066930104.db2.gz LYKVCEVIPYFBLM-JOCHJYFZSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)c(Sc2ccccc2)n1 ZINC001448465456 1066930105 /nfs/dbraw/zinc/93/01/05/1066930105.db2.gz XOFCARWKVYPKBU-QFIPXVFZSA-N 0 0 457.393 4.941 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)n1 ZINC001457830449 1066930223 /nfs/dbraw/zinc/93/02/23/1066930223.db2.gz ZQKVRKYJZNNQLI-QFIPXVFZSA-N 0 0 454.615 4.908 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(F)F)C2)n1 ZINC001492757769 1066930436 /nfs/dbraw/zinc/93/04/36/1066930436.db2.gz MJRDWXXJECMXIL-LJQANCHMSA-N 0 0 477.991 4.693 20 0 JJADRN CCC[C@@H]1CCc2ccccc2N1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001457833801 1066930644 /nfs/dbraw/zinc/93/06/44/1066930644.db2.gz PLAMPPKKOBHDRU-MRXNPFEDSA-N 0 0 450.398 4.923 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001546006407 1066930797 /nfs/dbraw/zinc/93/07/97/1066930797.db2.gz UJCVLMORLVRPNR-LEWJYISDSA-N 0 0 473.687 4.698 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCCSc3ccccc3)CCO2)n1 ZINC001492759415 1066930748 /nfs/dbraw/zinc/93/07/48/1066930748.db2.gz DWORQPICIDTZPW-JOCHJYFZSA-N 0 0 482.698 4.768 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001492759383 1066930774 /nfs/dbraw/zinc/93/07/74/1066930774.db2.gz DGHPLCRRKCZQQI-AQNXPRMDSA-N 0 0 472.634 4.791 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3CCCOC3CCCC3)CC2)n1 ZINC001492758577 1066930876 /nfs/dbraw/zinc/93/08/76/1066930876.db2.gz HYXNVYMFEWHVGU-UHFFFAOYSA-N 0 0 456.679 4.946 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC001457837059 1066930978 /nfs/dbraw/zinc/93/09/78/1066930978.db2.gz WQNMXVQTNMFAFV-CZUORRHYSA-N 0 0 457.320 4.612 20 0 JJADRN CC(C)n1ncc(C(=O)NC2CCC(C)(c3ccccc3)CC2)c1I ZINC001457836717 1066931056 /nfs/dbraw/zinc/93/10/56/1066931056.db2.gz HQEXSYKXCLDVBF-UHFFFAOYSA-N 0 0 451.352 4.699 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4)n3CCCCOC(C)C)CC2)n1 ZINC001492758853 1066931221 /nfs/dbraw/zinc/93/12/21/1066931221.db2.gz OTXOVFVZQQUOIB-UHFFFAOYSA-N 0 0 450.631 4.880 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)c3ccccc3F)CCO2)n1 ZINC001492759613 1066931599 /nfs/dbraw/zinc/93/15/99/1066931599.db2.gz IRBVFTISKHEVTH-OAQYLSRUSA-N 0 0 482.648 4.702 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nccc2cc(Br)ccc21 ZINC001457848346 1066931780 /nfs/dbraw/zinc/93/17/80/1066931780.db2.gz FYIXPHNZHJZZIQ-IBGZPJMESA-N 0 0 456.340 4.887 20 0 JJADRN O=C(CCCc1nc2ccccc2[nH]1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001457847101 1066931914 /nfs/dbraw/zinc/93/19/14/1066931914.db2.gz GKZYOTLZPBQIOV-IBGZPJMESA-N 0 0 453.892 4.534 20 0 JJADRN C[C@H](Cn1ccc2ccccc21)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448487745 1066932178 /nfs/dbraw/zinc/93/21/78/1066932178.db2.gz LGFPQWNGVULVHP-QGZVFWFLSA-N 0 0 458.484 4.673 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC001492760028 1066932273 /nfs/dbraw/zinc/93/22/73/1066932273.db2.gz TUTKXAHEBHKTRC-OAQYLSRUSA-N 0 0 476.547 4.902 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)s3)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492760441 1066932364 /nfs/dbraw/zinc/93/23/64/1066932364.db2.gz FUBTVENFAHYLEE-INIZCTEOSA-N 0 0 493.475 4.676 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1(C)C ZINC001448490483 1066932641 /nfs/dbraw/zinc/93/26/41/1066932641.db2.gz YFSSHWUBWWIAER-HQKZVIGLSA-N 0 0 452.595 4.910 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@H](C)C2)n1 ZINC001492760447 1066932799 /nfs/dbraw/zinc/93/27/99/1066932799.db2.gz GAAQUIPIPNKRNR-CQSZACIVSA-N 0 0 461.383 4.597 20 0 JJADRN COc1c(N)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc(Cl)c1Br ZINC001448492446 1066933048 /nfs/dbraw/zinc/93/30/48/1066933048.db2.gz ANPGZCRVSZWDDU-YFKPBYRVSA-N 0 0 458.687 4.660 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cccc(OCc4cscn4)c3)cc2c(OC)c1 ZINC001457866411 1066933217 /nfs/dbraw/zinc/93/32/17/1066933217.db2.gz ZZNXSZNWVBJSSV-UHFFFAOYSA-N 0 0 451.548 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCc2nc(-c3ccccc3F)cs2)C1 ZINC001448500200 1066933586 /nfs/dbraw/zinc/93/35/86/1066933586.db2.gz HOWJEJVUVSCXDT-KRWDZBQOSA-N 0 0 459.587 4.993 20 0 JJADRN O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1)C(F)(F)c1ccccc1Br ZINC001448499409 1066933602 /nfs/dbraw/zinc/93/36/02/1066933602.db2.gz DGLLXCZIWCLYIT-AWEZNQCLSA-N 0 0 452.343 4.985 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001457868379 1066933571 /nfs/dbraw/zinc/93/35/71/1066933571.db2.gz PRWKSQDOQJJLRL-UHFFFAOYSA-N 0 0 455.601 4.878 20 0 JJADRN Cc1cc(C)n(CCCn2c(C3CCC3)nnc2N(C)Cc2ccccc2Br)n1 ZINC001492761156 1066933794 /nfs/dbraw/zinc/93/37/94/1066933794.db2.gz DOXYYLTXNSSMLO-UHFFFAOYSA-N 0 0 457.420 4.848 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001457868009 1066933781 /nfs/dbraw/zinc/93/37/81/1066933781.db2.gz HDPYMQZTEKJEKD-VXKWHMMOSA-N 0 0 456.464 4.978 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC001492760924 1066933859 /nfs/dbraw/zinc/93/38/59/1066933859.db2.gz WUXKGADGOTWXLT-GOSISDBHSA-N 0 0 451.525 4.719 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)C2CCCCC2)n1 ZINC001492760888 1066933915 /nfs/dbraw/zinc/93/39/15/1066933915.db2.gz VLBHRSMRXGYKIU-UHFFFAOYSA-N 0 0 474.451 4.719 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1OC(F)(F)F ZINC001457875491 1066934452 /nfs/dbraw/zinc/93/44/52/1066934452.db2.gz PPHKJWVQMSAUMT-IBGZPJMESA-N 0 0 452.473 4.585 20 0 JJADRN Cc1sc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)cc1Br ZINC001448506871 1066934495 /nfs/dbraw/zinc/93/44/95/1066934495.db2.gz WHKVIJIFLPCFIL-UHFFFAOYSA-N 0 0 455.175 4.697 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc(Cl)ccc1OC(F)F ZINC001448505029 1066934567 /nfs/dbraw/zinc/93/45/67/1066934567.db2.gz INIOOMUUXDKNOW-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001448506644 1066934596 /nfs/dbraw/zinc/93/45/96/1066934596.db2.gz STENWLPWIMLMBQ-UHFFFAOYSA-N 0 0 454.615 4.635 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)cc1Br ZINC001448505520 1066934650 /nfs/dbraw/zinc/93/46/50/1066934650.db2.gz OIXOSYGIJRDLQI-UHFFFAOYSA-N 0 0 452.150 4.715 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1NCc1ccco1 ZINC001448505779 1066934731 /nfs/dbraw/zinc/93/47/31/1066934731.db2.gz MTLOZBZVVBUHAP-UHFFFAOYSA-N 0 0 451.324 4.770 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)CC2)c1 ZINC001457879242 1066934959 /nfs/dbraw/zinc/93/49/59/1066934959.db2.gz SXYRSURWWZBQMA-UHFFFAOYSA-N 0 0 451.954 4.772 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc(-c3ccc(F)cc3Br)n1CCCC(C)(C)C)C2 ZINC001492763264 1066935734 /nfs/dbraw/zinc/93/57/34/1066935734.db2.gz XBYMDKOMHHBBEM-UHFFFAOYSA-N 0 0 476.398 4.593 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@H]2C)n1 ZINC001492762634 1066935812 /nfs/dbraw/zinc/93/58/12/1066935812.db2.gz YZPIJGCNMJGXHD-RTBURBONSA-N 0 0 475.062 4.744 20 0 JJADRN C[C@@H](Sc1nc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)cs1)C(N)=O ZINC001457883660 1066935721 /nfs/dbraw/zinc/93/57/21/1066935721.db2.gz CCUWFHAFMJADKT-BFUOFWGJSA-N 0 0 452.045 4.743 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CCCCc2nc(C)cs2)CCO1 ZINC001546094876 1066935783 /nfs/dbraw/zinc/93/57/83/1066935783.db2.gz BATYLDWDPBGOOQ-VWLOTQADSA-N 0 0 469.655 4.671 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(O)c(OC)c2)cc1OC ZINC001448522519 1066935925 /nfs/dbraw/zinc/93/59/25/1066935925.db2.gz WJRCZTOPZKGDAO-UHFFFAOYSA-N 0 0 459.502 4.582 20 0 JJADRN CSC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)CCC1 ZINC001448520301 1066935962 /nfs/dbraw/zinc/93/59/62/1066935962.db2.gz UCDKGEFCGUXLHT-UHFFFAOYSA-N 0 0 459.420 4.810 20 0 JJADRN CC[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001546007584 1066936081 /nfs/dbraw/zinc/93/60/81/1066936081.db2.gz ANSPFFNVYNRUTO-SFTDATJTSA-N 0 0 471.646 4.829 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCCSCC(C)C)CCO2)o1 ZINC001492765022 1066936097 /nfs/dbraw/zinc/93/60/97/1066936097.db2.gz UWFYJEYYSQWXCZ-LJQANCHMSA-N 0 0 477.034 4.647 20 0 JJADRN Cc1nnc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492764713 1066936158 /nfs/dbraw/zinc/93/61/58/1066936158.db2.gz MTNPLKJTDLGACG-FQEVSTJZSA-N 0 0 467.643 4.565 20 0 JJADRN Cc1nnc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(Cc2ccco2)C(C)C)s1 ZINC001492764776 1066936251 /nfs/dbraw/zinc/93/62/51/1066936251.db2.gz OGCWAALAZHPADT-UHFFFAOYSA-N 0 0 493.637 4.948 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NCc3ccc(C)cc3O[C@@H]3CCOC3)c2C(F)(F)F)cc1 ZINC001457885832 1066936161 /nfs/dbraw/zinc/93/61/61/1066936161.db2.gz WEPOQJYKBBIPTB-LJQANCHMSA-N 0 0 459.468 4.606 20 0 JJADRN O=C(c1ccc(-c2cccs2)s1)N1CCC(O)(c2scnc2Br)CC1 ZINC001448534415 1066936415 /nfs/dbraw/zinc/93/64/15/1066936415.db2.gz FITUUEJLSJMJRH-UHFFFAOYSA-N 0 0 455.424 4.819 20 0 JJADRN CCc1cccc2c(CC(=O)N[C@@H](C)c3nc(-c4ccc(Br)cc4)no3)c[nH]c21 ZINC001457886469 1066936429 /nfs/dbraw/zinc/93/64/29/1066936429.db2.gz PXRKVCKQCXQAMW-ZDUSSCGKSA-N 0 0 453.340 4.963 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3nc(-c4ccc(Br)cc4)no3)cc21 ZINC001457888090 1066936468 /nfs/dbraw/zinc/93/64/68/1066936468.db2.gz VOWRHMXHNPXZAA-NSHDSACASA-N 0 0 456.300 4.650 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492765366 1066936489 /nfs/dbraw/zinc/93/64/89/1066936489.db2.gz DYUOLCSBXBNSJQ-CQSZACIVSA-N 0 0 497.463 4.581 20 0 JJADRN C[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457886725 1066936516 /nfs/dbraw/zinc/93/65/16/1066936516.db2.gz RNKUDGOIDLHUNQ-KSSFIOAISA-N 0 0 456.340 4.884 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2nc(-c3cccnc3Cl)ns2)c1C ZINC001457886424 1066936550 /nfs/dbraw/zinc/93/65/50/1066936550.db2.gz LNHJDPNXIWWLPW-UHFFFAOYSA-N 0 0 456.984 4.787 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492765393 1066936599 /nfs/dbraw/zinc/93/65/99/1066936599.db2.gz FVQJNMUADTYLSN-MXWWQKGMSA-N 0 0 462.570 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC001448536420 1066936840 /nfs/dbraw/zinc/93/68/40/1066936840.db2.gz DOSWDDLWTKFMFY-SFHVURJKSA-N 0 0 455.368 4.899 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492765460 1066936822 /nfs/dbraw/zinc/93/68/22/1066936822.db2.gz HRGNRLCCHHPUCA-KBPBESRZSA-N 0 0 493.500 4.831 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C)CC2)s1 ZINC001492765422 1066936941 /nfs/dbraw/zinc/93/69/41/1066936941.db2.gz GOIDJDKMZBNQEQ-MRXNPFEDSA-N 0 0 458.607 4.976 20 0 JJADRN Cc1ccc(C(=O)N2CCC(O)(c3scnc3Br)CC2)c(Cl)c1Cl ZINC001448538511 1066937129 /nfs/dbraw/zinc/93/71/29/1066937129.db2.gz OBPXBRFGVICANF-UHFFFAOYSA-N 0 0 450.185 4.645 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC001457892198 1066937141 /nfs/dbraw/zinc/93/71/41/1066937141.db2.gz GDWXWZWNUQFTNT-GOSISDBHSA-N 0 0 456.779 4.538 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001457891164 1066937229 /nfs/dbraw/zinc/93/72/29/1066937229.db2.gz ZDVVNNRGGWFMBS-CYBMUJFWSA-N 0 0 453.996 4.864 20 0 JJADRN COC(=O)c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)nc1 ZINC001457891540 1066937302 /nfs/dbraw/zinc/93/73/02/1066937302.db2.gz IVSPUZUZBFAUCM-UHFFFAOYSA-N 0 0 457.313 4.678 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448539605 1066937601 /nfs/dbraw/zinc/93/76/01/1066937601.db2.gz KWBMYYZPSOXPRL-MSOLQXFVSA-N 0 0 455.368 4.945 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)C/C=C/c1ccc(Br)cc1 ZINC001457894077 1066937697 /nfs/dbraw/zinc/93/76/97/1066937697.db2.gz LZNNDODDGWMZOI-GNAXCBTBSA-N 0 0 456.258 4.642 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2c[nH]nc2Br)s1 ZINC001457893378 1066937750 /nfs/dbraw/zinc/93/77/50/1066937750.db2.gz IZCGVLMCLBNNCV-UHFFFAOYSA-N 0 0 450.343 4.623 20 0 JJADRN COc1ccccc1C1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC001457893040 1066937760 /nfs/dbraw/zinc/93/77/60/1066937760.db2.gz IKHFCIBEKCAYSH-UHFFFAOYSA-N 0 0 456.951 4.569 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492765722 1066937728 /nfs/dbraw/zinc/93/77/28/1066937728.db2.gz PBECVKDTDYSYGJ-LJQANCHMSA-N 0 0 456.685 4.977 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492765861 1066938044 /nfs/dbraw/zinc/93/80/44/1066938044.db2.gz UXNDBUSTIILPSW-KGLIPLIRSA-N 0 0 493.500 4.831 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001448546311 1066938386 /nfs/dbraw/zinc/93/83/86/1066938386.db2.gz IDVNFSUFAWLRBF-UHFFFAOYSA-N 0 0 455.470 4.622 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)s1 ZINC001492765998 1066938422 /nfs/dbraw/zinc/93/84/22/1066938422.db2.gz YNYMIAHFVAIKSK-JOCHJYFZSA-N 0 0 498.697 4.666 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 ZINC001457899726 1066938461 /nfs/dbraw/zinc/93/84/61/1066938461.db2.gz CIZNFHFISBMPIA-HXUWFJFHSA-N 0 0 450.645 4.691 20 0 JJADRN O=C(NCC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1)OCc1ccccc1 ZINC001448551446 1066938900 /nfs/dbraw/zinc/93/89/00/1066938900.db2.gz OOKVWVWPHISLFD-UHFFFAOYSA-N 0 0 453.539 4.728 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Cl)ccn1)Oc1cccc(F)c1 ZINC001546007862 1066938984 /nfs/dbraw/zinc/93/89/84/1066938984.db2.gz GFCVBOULIPCWMA-QFIPXVFZSA-N 0 0 498.006 4.821 20 0 JJADRN Cc1nnc(CCCn2c(C3CCCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492766423 1066939104 /nfs/dbraw/zinc/93/91/04/1066939104.db2.gz MFKBPLBDOUENHX-UHFFFAOYSA-N 0 0 489.690 4.564 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@H](CO)CC1CCCC1 ZINC001448566299 1066939200 /nfs/dbraw/zinc/93/92/00/1066939200.db2.gz SUNSQYNNVHTCEF-LJQANCHMSA-N 0 0 455.986 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H](CO)CC2CCCC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001448567636 1066939491 /nfs/dbraw/zinc/93/94/91/1066939491.db2.gz WBSFQWXYCUGKFC-BWAGFHJFSA-N 0 0 465.034 4.596 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC001457907465 1066939664 /nfs/dbraw/zinc/93/96/64/1066939664.db2.gz ULDWTQVKZUATBY-VBKZILBWSA-N 0 0 451.398 4.548 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)cc21 ZINC001457908958 1066939696 /nfs/dbraw/zinc/93/96/96/1066939696.db2.gz VRXPOYPOASGOST-UHFFFAOYSA-N 0 0 455.624 4.631 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)cc21 ZINC001457906871 1066939791 /nfs/dbraw/zinc/93/97/91/1066939791.db2.gz RXBGGKYRMIDSFT-QGZVFWFLSA-N 0 0 456.384 4.603 20 0 JJADRN Cc1ccc(C)n1-c1sccc1C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001448575958 1066939881 /nfs/dbraw/zinc/93/98/81/1066939881.db2.gz ZPFOXQNMLQXHIF-UHFFFAOYSA-N 0 0 456.511 4.508 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC[C@H]2C)s1 ZINC001492767385 1066940151 /nfs/dbraw/zinc/94/01/51/1066940151.db2.gz PSWSDDKKIIMDRB-CYBMUJFWSA-N 0 0 467.426 4.945 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NC(C)(C)c2cccc(Cl)c2F)C1(C)C ZINC001457910290 1066940130 /nfs/dbraw/zinc/94/01/30/1066940130.db2.gz WTRVDYAGPDHBRA-HJPURHCSSA-N 0 0 456.986 4.929 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(C(C)C)CC2)s1 ZINC001492767196 1066940212 /nfs/dbraw/zinc/94/02/12/1066940212.db2.gz KDJYXLDIYLATSB-UHFFFAOYSA-N 0 0 458.607 4.661 20 0 JJADRN CC(C)CON(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001457913763 1066940542 /nfs/dbraw/zinc/94/05/42/1066940542.db2.gz SIOJQPUXBFKWAW-FQEVSTJZSA-N 0 0 450.645 4.860 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)Cc3noc4ccc(Br)cc34)n2)ccc1F ZINC001457912291 1066940631 /nfs/dbraw/zinc/94/06/31/1066940631.db2.gz IBNFBSLSFDNEME-LLVKDONJSA-N 0 0 459.275 4.508 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC001448585891 1066940666 /nfs/dbraw/zinc/94/06/66/1066940666.db2.gz HDKNOLHDACFOQY-XMMPIXPASA-N 0 0 459.933 4.854 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546008539 1066940973 /nfs/dbraw/zinc/94/09/73/1066940973.db2.gz SGLQTPHDWFDQCI-PZJWPPBQSA-N 0 0 496.656 4.588 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546008538 1066941029 /nfs/dbraw/zinc/94/10/29/1066941029.db2.gz SGLQTPHDWFDQCI-FPOVZHCZSA-N 0 0 496.656 4.588 20 0 JJADRN CC[C@@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)CC1)OC ZINC001546008174 1066941177 /nfs/dbraw/zinc/94/11/77/1066941177.db2.gz LUROZZGTJBJNKQ-SFHVURJKSA-N 0 0 456.965 4.912 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 ZINC001457914234 1066941096 /nfs/dbraw/zinc/94/10/96/1066941096.db2.gz WMUHGTDQFBCIJG-QFIPXVFZSA-N 0 0 453.441 4.681 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCCCCC2)s1 ZINC001492767844 1066941561 /nfs/dbraw/zinc/94/15/61/1066941561.db2.gz DXEIIMCVYFVTNH-UHFFFAOYSA-N 0 0 461.433 4.799 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccc(Br)cc3)no2)n1 ZINC001457917619 1066941569 /nfs/dbraw/zinc/94/15/69/1066941569.db2.gz XMEKVAMZMDQOFR-LLVKDONJSA-N 0 0 451.346 4.573 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1)C1CCC1 ZINC001457921668 1066941864 /nfs/dbraw/zinc/94/18/64/1066941864.db2.gz CUYCHGIJDRGBAA-AWEZNQCLSA-N 0 0 456.490 4.856 20 0 JJADRN C[C@@H](OC(=O)c1cnn(-c2ccccc2)c1I)c1cc(F)cc(F)c1 ZINC001457920661 1066941969 /nfs/dbraw/zinc/94/19/69/1066941969.db2.gz XSYXNIQYVAGLON-LLVKDONJSA-N 0 0 454.214 4.673 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2sc(COc3ccc(F)cc3)nc2C)n1 ZINC001457919264 1066941990 /nfs/dbraw/zinc/94/19/90/1066941990.db2.gz ZZAMGUDJSUBASI-CYBMUJFWSA-N 0 0 450.561 4.639 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC001546008278 1066942406 /nfs/dbraw/zinc/94/24/06/1066942406.db2.gz NQJUIZWBPIJZOX-LJQANCHMSA-N 0 0 495.653 4.677 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C(C)C)CC2)s1 ZINC001492768428 1066942402 /nfs/dbraw/zinc/94/24/02/1066942402.db2.gz WRXOHYJOFVHREZ-UHFFFAOYSA-N 0 0 462.570 4.822 20 0 JJADRN O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457933100 1066942756 /nfs/dbraw/zinc/94/27/56/1066942756.db2.gz OIZQJZFMAZEPHM-IBGZPJMESA-N 0 0 459.855 4.881 20 0 JJADRN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492770180 1066943014 /nfs/dbraw/zinc/94/30/14/1066943014.db2.gz QEHFVXMZBPWRJS-UHFFFAOYSA-N 0 0 471.002 4.862 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)nc3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001492769955 1066943082 /nfs/dbraw/zinc/94/30/82/1066943082.db2.gz JVUYQBXIEYXKML-UHFFFAOYSA-N 0 0 471.940 4.565 20 0 JJADRN Cc1cccc(-c2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)nc2)c1 ZINC001457934655 1066943143 /nfs/dbraw/zinc/94/31/43/1066943143.db2.gz PTGPFKPTYYGSNJ-SFHVURJKSA-N 0 0 450.336 4.811 20 0 JJADRN C[C@]12CCN(C(=O)c3cc(Cl)c4ccccc4n3)C[C@H]1C2(Br)Br ZINC001457934212 1066943154 /nfs/dbraw/zinc/94/31/54/1066943154.db2.gz IWHPMBMEGJHUOX-ZBFHGGJFSA-N 0 0 458.581 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC001448619421 1066943387 /nfs/dbraw/zinc/94/33/87/1066943387.db2.gz HHFRQWBMUYDBQH-WMUXEFRJSA-N 0 0 467.379 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c2ccccc21 ZINC001448619166 1066943478 /nfs/dbraw/zinc/94/34/78/1066943478.db2.gz JSJVQKDTDXDXQW-HNNXBMFYSA-N 0 0 451.502 4.868 20 0 JJADRN Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)s1 ZINC001492770541 1066943601 /nfs/dbraw/zinc/94/36/01/1066943601.db2.gz WYRFKTOZXQKARE-NQSCKRDGSA-N 0 0 468.671 4.839 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(F)c(Cl)c2)s1 ZINC001492771186 1066944020 /nfs/dbraw/zinc/94/40/20/1066944020.db2.gz BUUZYMIBVVXTEK-UHFFFAOYSA-N 0 0 464.357 4.631 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001546095243 1066944155 /nfs/dbraw/zinc/94/41/55/1066944155.db2.gz JFRPAFMRLCNEHU-VVMVZBAXSA-N 0 0 462.585 4.604 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001448622885 1066944373 /nfs/dbraw/zinc/94/43/73/1066944373.db2.gz XNCHDZBUVWFSHG-MQMHXKEQSA-N 0 0 457.137 4.661 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)s1 ZINC001457941574 1066944714 /nfs/dbraw/zinc/94/47/14/1066944714.db2.gz XRUJBQQDJRRKEZ-GIPWTMENSA-N 0 0 453.536 4.770 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC001492773285 1066945219 /nfs/dbraw/zinc/94/52/19/1066945219.db2.gz AODZTJNJTGEMDM-RHSMWYFYSA-N 0 0 491.459 4.843 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)s1 ZINC001492773287 1066945301 /nfs/dbraw/zinc/94/53/01/1066945301.db2.gz AODZTJNJTGEMDM-YOEHRIQHSA-N 0 0 491.459 4.843 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457945712 1066945597 /nfs/dbraw/zinc/94/55/97/1066945597.db2.gz BVZJIDCPNUYWLD-QHCPKHFHSA-N 0 0 450.897 4.761 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccc(Cl)cc2)s1 ZINC001492773858 1066945709 /nfs/dbraw/zinc/94/57/09/1066945709.db2.gz UOWKSFMTJSNWRB-UYAOXDASSA-N 0 0 491.061 4.574 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492773990 1066945803 /nfs/dbraw/zinc/94/58/03/1066945803.db2.gz YGNCCNNWKQCOHA-CALCHBBNSA-N 0 0 454.644 4.845 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492774618 1066946187 /nfs/dbraw/zinc/94/61/87/1066946187.db2.gz KUSLAGHURVLBQI-XHVUARLKSA-N 0 0 467.639 4.676 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001457948548 1066946294 /nfs/dbraw/zinc/94/62/94/1066946294.db2.gz LRRLTWLGRTVWCE-UHFFFAOYSA-N 0 0 456.262 4.549 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)C1CCCC1 ZINC001457948969 1066946353 /nfs/dbraw/zinc/94/63/53/1066946353.db2.gz FNROUHGPOBDOBS-JOCHJYFZSA-N 0 0 454.542 4.842 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)C1CCCCCC1 ZINC001457950660 1066946691 /nfs/dbraw/zinc/94/66/91/1066946691.db2.gz FTZBALKQDRCYMW-UHFFFAOYSA-N 0 0 457.615 4.654 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001546008663 1066946722 /nfs/dbraw/zinc/94/67/22/1066946722.db2.gz VDGDNNFCQVUEEZ-DHIUTWEWSA-N 0 0 493.656 4.785 20 0 JJADRN O=C(c1ccnc(Cl)c1Br)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001448656364 1066946732 /nfs/dbraw/zinc/94/67/32/1066946732.db2.gz ZYZLCRNMUJQOGT-UHFFFAOYSA-N 0 0 454.155 4.690 20 0 JJADRN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457950680 1066946887 /nfs/dbraw/zinc/94/68/87/1066946887.db2.gz NCUNGWGKIIWSAU-VWLOTQADSA-N 0 0 452.913 4.891 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001492776908 1066947061 /nfs/dbraw/zinc/94/70/61/1066947061.db2.gz JQHJFPNHGWCACZ-JTHBVZDNSA-N 0 0 469.630 4.590 20 0 JJADRN CN(C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448659715 1066947188 /nfs/dbraw/zinc/94/71/88/1066947188.db2.gz GYFMEHVRJPCHBU-XUZZJYLKSA-N 0 0 451.007 4.792 20 0 JJADRN Cn1nccc1[C@H](O)C1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001457952496 1066947246 /nfs/dbraw/zinc/94/72/46/1066947246.db2.gz OOBXTMNNTDZNCS-XMMPIXPASA-N 0 0 455.643 4.626 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001492780665 1066947524 /nfs/dbraw/zinc/94/75/24/1066947524.db2.gz XLCRXYWNEWZAOT-UHFFFAOYSA-N 0 0 471.499 4.780 20 0 JJADRN CCCc1c(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)cnn1-c1cc(F)c(OC)cc1F ZINC001448669047 1066947699 /nfs/dbraw/zinc/94/76/99/1066947699.db2.gz AAZVCJFCYOTGGE-UHFFFAOYSA-N 0 0 457.477 4.757 20 0 JJADRN O=C([C@@H]1CCCc2cccnc21)N1CCc2cc(Br)c(Br)cc2C1 ZINC001457954908 1066947985 /nfs/dbraw/zinc/94/79/85/1066947985.db2.gz WJKOOYILMIVDAR-OAHLLOKOSA-N 0 0 450.174 4.611 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001457955102 1066948035 /nfs/dbraw/zinc/94/80/35/1066948035.db2.gz VXEOTOWQQGFQOA-UHFFFAOYSA-N 0 0 453.901 4.845 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C)nc(NC3CC3)c2)c(Br)c1 ZINC001448671744 1066948299 /nfs/dbraw/zinc/94/82/99/1066948299.db2.gz PSNKIGDDIYSJEJ-HXUWFJFHSA-N 0 0 458.400 4.857 20 0 JJADRN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001448672347 1066948334 /nfs/dbraw/zinc/94/83/34/1066948334.db2.gz KKVMTRZJBSGOMN-QGZVFWFLSA-N 0 0 455.555 4.515 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)C(C)(C)C ZINC001457957439 1066948345 /nfs/dbraw/zinc/94/83/45/1066948345.db2.gz FRUDTXSNEKHTDP-JOCHJYFZSA-N 0 0 453.558 4.531 20 0 JJADRN Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1csc(CCc2ccccc2)n1 ZINC001492783012 1066948585 /nfs/dbraw/zinc/94/85/85/1066948585.db2.gz IFFUVWYRBRXIBY-UHFFFAOYSA-N 0 0 478.569 4.988 20 0 JJADRN Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCNc1ncc(Cl)cc1Cl ZINC001492783878 1066948742 /nfs/dbraw/zinc/94/87/42/1066948742.db2.gz ZJIRILJPVNLSOE-UHFFFAOYSA-N 0 0 466.320 4.512 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)c1cncc(I)c1)C(C)(C)C ZINC001457961180 1066948784 /nfs/dbraw/zinc/94/87/84/1066948784.db2.gz MORNVNUBOFVJKJ-QGZVFWFLSA-N 0 0 452.336 4.527 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccccc1N=S(C)(C)=O)C1CCCCCC1 ZINC001457958435 1066948832 /nfs/dbraw/zinc/94/88/32/1066948832.db2.gz ZNMSBWLJXDBOGY-UHFFFAOYSA-N 0 0 451.633 4.735 20 0 JJADRN O=C(CSc1cccc2cccc(Cl)c21)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001457960142 1066948860 /nfs/dbraw/zinc/94/88/60/1066948860.db2.gz LBYFWIMMNVMFSJ-HXUWFJFHSA-N 0 0 453.007 4.935 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001457960457 1066949023 /nfs/dbraw/zinc/94/90/23/1066949023.db2.gz PIBLJNPSUHUREI-SFHVURJKSA-N 0 0 459.377 4.722 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2ccccc2F)CC1 ZINC001448677676 1066949062 /nfs/dbraw/zinc/94/90/62/1066949062.db2.gz QDITYZAGEPNABY-HNNXBMFYSA-N 0 0 452.339 4.502 20 0 JJADRN Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1Cc1sccc1Br ZINC001492787740 1066949446 /nfs/dbraw/zinc/94/94/46/1066949446.db2.gz AXMREYKQMGIZHO-QGZVFWFLSA-N 0 0 465.392 4.784 20 0 JJADRN CN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)c1nccn1C ZINC001448676898 1066949520 /nfs/dbraw/zinc/94/95/20/1066949520.db2.gz WYZABBFUPAUGSP-UHFFFAOYSA-N 0 0 453.618 4.966 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448677538 1066949678 /nfs/dbraw/zinc/94/96/78/1066949678.db2.gz WPDUZFFPHCXCTB-HNNXBMFYSA-N 0 0 453.432 4.755 20 0 JJADRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001457966311 1066949682 /nfs/dbraw/zinc/94/96/82/1066949682.db2.gz KWBVHIKFFRHHLS-UHFFFAOYSA-N 0 0 459.230 4.931 20 0 JJADRN Cc1nnc(N(Cc2ccco2)Cc2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492788717 1066950072 /nfs/dbraw/zinc/95/00/72/1066950072.db2.gz AAERKUAXDIQBHF-LJQANCHMSA-N 0 0 453.587 4.889 20 0 JJADRN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC001457975118 1066950190 /nfs/dbraw/zinc/95/01/90/1066950190.db2.gz VUBNJIRVDSSCOQ-UHFFFAOYSA-N 0 0 452.551 4.728 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)CNC(=O)c2ccc(O)cc2)ccc1Cl ZINC001457977571 1066950715 /nfs/dbraw/zinc/95/07/15/1066950715.db2.gz JNAXXSZBZLQUBM-UHFFFAOYSA-N 0 0 459.329 4.846 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@H](O)c1ccccc1 ZINC001448686382 1066950760 /nfs/dbraw/zinc/95/07/60/1066950760.db2.gz HAXDPCVNWQTJBM-NHCUHLMSSA-N 0 0 459.409 4.990 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@H]1c1cccc(Cl)c1 ZINC001457979801 1066951080 /nfs/dbraw/zinc/95/10/80/1066951080.db2.gz JMGOLQHWUZFXIH-FOIQADDNSA-N 0 0 458.743 4.809 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001492798001 1066951326 /nfs/dbraw/zinc/95/13/26/1066951326.db2.gz VPEDGEZCFACMTO-UHFFFAOYSA-N 0 0 478.906 4.557 20 0 JJADRN CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC001448687780 1066951417 /nfs/dbraw/zinc/95/14/17/1066951417.db2.gz ODYHASGLLXELQQ-UXHICEINSA-N 0 0 452.481 4.773 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492798715 1066952056 /nfs/dbraw/zinc/95/20/56/1066952056.db2.gz LDCOSAVLWQQXSJ-DKSSEZFCSA-N 0 0 496.425 4.799 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@H](C)N3CSCCSC3)ccc2OC(F)F)cc1 ZINC001448692743 1066952119 /nfs/dbraw/zinc/95/21/19/1066952119.db2.gz OYKJGEVDGYXCON-AWEZNQCLSA-N 0 0 454.564 4.988 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001492798822 1066952120 /nfs/dbraw/zinc/95/21/20/1066952120.db2.gz NBYAEXYFDOVYPD-XMSQKQJNSA-N 0 0 456.635 4.551 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492798717 1066952178 /nfs/dbraw/zinc/95/21/78/1066952178.db2.gz LDCOSAVLWQQXSJ-LJHODMEESA-N 0 0 496.425 4.799 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)cc1OC ZINC001448696999 1066952678 /nfs/dbraw/zinc/95/26/78/1066952678.db2.gz SYQMWZZWFSPMQH-WOJBJXKFSA-N 0 0 450.373 4.735 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001492799043 1066952702 /nfs/dbraw/zinc/95/27/02/1066952702.db2.gz SWMOJWXRYVMWGT-UHFFFAOYSA-N 0 0 489.464 4.582 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NCCSCC(F)(F)F)ccc21 ZINC001457987636 1066952735 /nfs/dbraw/zinc/95/27/35/1066952735.db2.gz CUHHGZUZWMNMQH-UHFFFAOYSA-N 0 0 459.534 4.581 20 0 JJADRN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448724265 1066953812 /nfs/dbraw/zinc/95/38/12/1066953812.db2.gz WJPPUPIFDRLOHX-UHFFFAOYSA-N 0 0 456.464 4.814 20 0 JJADRN NC(=O)N[C@H](CC(=O)Nc1ccc(-c2nncs2)cc1)c1cccc(Oc2ccccc2)c1 ZINC001448724725 1066953976 /nfs/dbraw/zinc/95/39/76/1066953976.db2.gz WIOAUNVHMPIWSO-OAQYLSRUSA-N 0 0 459.531 4.736 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1 ZINC001448726952 1066954261 /nfs/dbraw/zinc/95/42/61/1066954261.db2.gz CZJQSCCCTVMNNR-ZDXQCDESSA-N 0 0 450.579 4.694 20 0 JJADRN Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001492806309 1066954468 /nfs/dbraw/zinc/95/44/68/1066954468.db2.gz LSKKNTHCBQBNAT-AWEZNQCLSA-N 0 0 468.911 4.764 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc1OC ZINC001448733501 1066954624 /nfs/dbraw/zinc/95/46/24/1066954624.db2.gz ADZYLKKQRCFKHP-UHFFFAOYSA-N 0 0 457.914 4.516 20 0 JJADRN Cc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492815955 1066954972 /nfs/dbraw/zinc/95/49/72/1066954972.db2.gz UXZYJZFCVUBMCC-ZDUSSCGKSA-N 0 0 457.909 4.616 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001492821795 1066955016 /nfs/dbraw/zinc/95/50/16/1066955016.db2.gz WLJHZTPWTFBJOJ-UHFFFAOYSA-N 0 0 471.612 4.815 20 0 JJADRN Cc1ccc(C(=O)N2CCSC(C)(C)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001448736391 1066955198 /nfs/dbraw/zinc/95/51/98/1066955198.db2.gz MXTZDEMOKVVXKT-UHFFFAOYSA-N 0 0 453.029 4.807 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCC(S(=O)(=O)CC)CC3)c2C1 ZINC001448739557 1066955255 /nfs/dbraw/zinc/95/52/55/1066955255.db2.gz SBIQEQSNOGFVCY-GOSISDBHSA-N 0 0 456.652 4.815 20 0 JJADRN O=C(Nc1ccc(Nc2ncccn2)cc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001448735941 1066955389 /nfs/dbraw/zinc/95/53/89/1066955389.db2.gz QZYYEMSNMBGNOB-IBGZPJMESA-N 0 0 456.333 4.770 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492836671 1066955489 /nfs/dbraw/zinc/95/54/89/1066955489.db2.gz AXMRKADYNFKNEI-RHSMWYFYSA-N 0 0 483.535 4.505 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001492837220 1066955734 /nfs/dbraw/zinc/95/57/34/1066955734.db2.gz FQAZCKHUFODCPR-PKOBYXMFSA-N 0 0 459.610 4.833 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001492839026 1066956180 /nfs/dbraw/zinc/95/61/80/1066956180.db2.gz RIAHXJUTJZOYMP-LPHOPBHVSA-N 0 0 470.593 4.579 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001492845043 1066956571 /nfs/dbraw/zinc/95/65/71/1066956571.db2.gz URUBIXZXCAZGGT-HXUWFJFHSA-N 0 0 452.603 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458012891 1066956661 /nfs/dbraw/zinc/95/66/61/1066956661.db2.gz PGMIEPQWSLCSDD-FGZHOGPDSA-N 0 0 451.567 4.639 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC001458013209 1066956812 /nfs/dbraw/zinc/95/68/12/1066956812.db2.gz LKQAALFHMIAGDK-UTKZUKDTSA-N 0 0 456.533 4.864 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)CC2)c1 ZINC001448779079 1066956966 /nfs/dbraw/zinc/95/69/66/1066956966.db2.gz SVFOMOLWQVOPSK-UHFFFAOYSA-N 0 0 459.586 4.592 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001448781185 1066956980 /nfs/dbraw/zinc/95/69/80/1066956980.db2.gz VLZPNASKKMPPPA-JTHBVZDNSA-N 0 0 458.643 4.564 20 0 JJADRN CN1Cc2cc(OC(=O)c3ccccc3OCc3cccc(Br)c3)ccc2C1=O ZINC001458015265 1066957317 /nfs/dbraw/zinc/95/73/17/1066957317.db2.gz DISPARSQGTUYBT-UHFFFAOYSA-N 0 0 452.304 4.833 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2CCCCc2nc(C)cs2)CCO1 ZINC001546096034 1066958068 /nfs/dbraw/zinc/95/80/68/1066958068.db2.gz YGIABWSYFUTDIH-XMMPIXPASA-N 0 0 457.619 4.801 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492848287 1066958071 /nfs/dbraw/zinc/95/80/71/1066958071.db2.gz NZVMJLHEDNUHOV-SJLPKXTDSA-N 0 0 470.643 4.836 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001492849395 1066958173 /nfs/dbraw/zinc/95/81/73/1066958173.db2.gz UHHDLTZRXVMQLG-GOSISDBHSA-N 0 0 475.584 4.680 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccon3)c2)c1 ZINC001458028929 1066958377 /nfs/dbraw/zinc/95/83/77/1066958377.db2.gz YPDIMIYVYBJJGL-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492851467 1066958454 /nfs/dbraw/zinc/95/84/54/1066958454.db2.gz DOFYJELPASHXDF-ILXRZTDVSA-N 0 0 450.431 4.937 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492851470 1066958467 /nfs/dbraw/zinc/95/84/67/1066958467.db2.gz DOFYJELPASHXDF-ZNMIVQPWSA-N 0 0 450.431 4.937 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492851499 1066958540 /nfs/dbraw/zinc/95/85/40/1066958540.db2.gz FDKRAQXVKZTHQS-QFBILLFUSA-N 0 0 496.425 4.801 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc2cc(Br)cnc2n1)NC(=O)OC(C)(C)C ZINC001458029608 1066958569 /nfs/dbraw/zinc/95/85/69/1066958569.db2.gz RIRMZXLAESYUBE-HNNXBMFYSA-N 0 0 451.365 4.660 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccnc(N2CCCCC2)c1)OCc1ccccc1 ZINC001458028394 1066958656 /nfs/dbraw/zinc/95/86/56/1066958656.db2.gz SZHYQNLCXLEHPU-XMMPIXPASA-N 0 0 458.562 4.548 20 0 JJADRN Cc1c(NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1NC(=O)N(C)C ZINC001448800471 1066958679 /nfs/dbraw/zinc/95/86/79/1066958679.db2.gz RSPWTCSXRPLLCA-DYESRHJHSA-N 0 0 454.571 4.929 20 0 JJADRN COCCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)[C@H]1CC[C@H](C)C1 ZINC001448810091 1066959363 /nfs/dbraw/zinc/95/93/63/1066959363.db2.gz VRXFFSNVNSMCBZ-WMZOPIPTSA-N 0 0 451.633 4.535 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N(c1ccccc1)c1ncccc1Br ZINC001458045542 1066959968 /nfs/dbraw/zinc/95/99/68/1066959968.db2.gz JLJROTDLTSSVOR-UHFFFAOYSA-N 0 0 454.353 4.988 20 0 JJADRN CCC(=O)N[C@H](C)C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001458043538 1066960005 /nfs/dbraw/zinc/96/00/05/1066960005.db2.gz RSHRZXYZYJEWEA-CYBMUJFWSA-N 0 0 457.290 4.916 20 0 JJADRN O=C(c1cn(Cc2cccc(F)c2)nn1)N(c1ccccc1)c1ncccc1Br ZINC001458045555 1066960345 /nfs/dbraw/zinc/96/03/45/1066960345.db2.gz JZHYDTAEZQCVQQ-UHFFFAOYSA-N 0 0 452.287 4.602 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001492909998 1066960427 /nfs/dbraw/zinc/96/04/27/1066960427.db2.gz ZQRXMDRGFXKKGH-CQSZACIVSA-N 0 0 481.815 4.736 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001448832477 1066960881 /nfs/dbraw/zinc/96/08/81/1066960881.db2.gz QHGCPRJLQPDQMN-AWEZNQCLSA-N 0 0 457.246 4.729 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C2 ZINC001458050304 1066961156 /nfs/dbraw/zinc/96/11/56/1066961156.db2.gz TUYGKPZBOIXOPI-GOSISDBHSA-N 0 0 458.230 4.766 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)Oc1cc(Br)ccc1Cl ZINC001458050825 1066961244 /nfs/dbraw/zinc/96/12/44/1066961244.db2.gz NHGPHHCMGYGAPO-UHFFFAOYSA-N 0 0 451.704 4.533 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448835717 1066961158 /nfs/dbraw/zinc/96/11/58/1066961158.db2.gz DDXVYAJZLLWINW-IJEWVQPXSA-N 0 0 457.384 4.671 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448836161 1066961265 /nfs/dbraw/zinc/96/12/65/1066961265.db2.gz DPZAMUAISCOCNQ-YLJYHZDGSA-N 0 0 453.583 4.952 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001492944895 1066961235 /nfs/dbraw/zinc/96/12/35/1066961235.db2.gz UYJDSVLXIQMIRD-GOSISDBHSA-N 0 0 450.370 4.805 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1Cc1sccc1Br ZINC001492946992 1066961415 /nfs/dbraw/zinc/96/14/15/1066961415.db2.gz CARSEKOFCSXZHN-GFCCVEGCSA-N 0 0 459.822 4.752 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492948343 1066961758 /nfs/dbraw/zinc/96/17/58/1066961758.db2.gz JKZMGDOOMGBEIU-DLBZAZTESA-N 0 0 482.050 4.526 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCN1C(=O)OC(C)(C)C ZINC001448841458 1066962045 /nfs/dbraw/zinc/96/20/45/1066962045.db2.gz JHAFAVROXJBZPW-VXGBXAGGSA-N 0 0 454.340 4.587 20 0 JJADRN O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001448840439 1066962246 /nfs/dbraw/zinc/96/22/46/1066962246.db2.gz AKMBBNATZJDBGQ-IBGZPJMESA-N 0 0 459.315 4.808 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492949506 1066962226 /nfs/dbraw/zinc/96/22/26/1066962226.db2.gz VIVDBOXFYQNSDV-LJQANCHMSA-N 0 0 498.912 4.873 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448842293 1066962520 /nfs/dbraw/zinc/96/25/20/1066962520.db2.gz KORYPWYVBQULCK-MBQNMEIASA-N 0 0 453.583 4.941 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC001458055313 1066962630 /nfs/dbraw/zinc/96/26/30/1066962630.db2.gz LLDNBNYJFLCGND-ZWKOTPCHSA-N 0 0 455.551 4.789 20 0 JJADRN COc1cc(C(=O)NCC2(C)CCOCC2)ccc1OCc1ccc(Br)s1 ZINC001458055242 1066962660 /nfs/dbraw/zinc/96/26/60/1066962660.db2.gz GWMAUQSRPFWTLS-UHFFFAOYSA-N 0 0 454.386 4.645 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc12 ZINC001448844116 1066962910 /nfs/dbraw/zinc/96/29/10/1066962910.db2.gz MRONGTMOPAJOSP-RDJZCZTQSA-N 0 0 454.596 4.913 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c(C(F)(F)F)n1 ZINC001458056060 1066962911 /nfs/dbraw/zinc/96/29/11/1066962911.db2.gz DMWCKRRLIGLVDR-HNNXBMFYSA-N 0 0 453.509 4.838 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC001458056518 1066963108 /nfs/dbraw/zinc/96/31/08/1066963108.db2.gz CKAPCZDGXWWWHG-GJZGRUSLSA-N 0 0 452.979 4.658 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001545695953 1066963050 /nfs/dbraw/zinc/96/30/50/1066963050.db2.gz HCKKWROGVFYFOF-PMACEKPBSA-N 0 0 462.598 4.697 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCCCC1 ZINC001545695986 1066963099 /nfs/dbraw/zinc/96/30/99/1066963099.db2.gz HOJVXCCJSZGYIK-SFHVURJKSA-N 0 0 450.587 4.674 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458058343 1066964072 /nfs/dbraw/zinc/96/40/72/1066964072.db2.gz KMNKQXXKCQTNSF-JAXLGGSGSA-N 0 0 458.647 4.573 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)NCCc1csc(-c2ccccc2)n1 ZINC001545700563 1066964287 /nfs/dbraw/zinc/96/42/87/1066964287.db2.gz SOERQLQDRATCQK-UHFFFAOYSA-N 0 0 459.365 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCCc2csc(-c3ccccc3)n2)COC1(C)C ZINC001545700252 1066964392 /nfs/dbraw/zinc/96/43/92/1066964392.db2.gz MQDXTOUZZSVIAP-LJQANCHMSA-N 0 0 459.612 4.621 20 0 JJADRN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cc1C ZINC001458059882 1066964508 /nfs/dbraw/zinc/96/45/08/1066964508.db2.gz ZNQPKSIOJILZCV-UHFFFAOYSA-N 0 0 455.624 4.585 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001545702214 1066964675 /nfs/dbraw/zinc/96/46/75/1066964675.db2.gz XSSLUZQCYVLOIV-FNZWTVRRSA-N 0 0 453.606 4.640 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001545701967 1066964705 /nfs/dbraw/zinc/96/47/05/1066964705.db2.gz TWPTZLGJIKZYRL-OALUTQOASA-N 0 0 458.050 4.844 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001545702039 1066964712 /nfs/dbraw/zinc/96/47/12/1066964712.db2.gz UVTZLDUTKZISFH-QGZVFWFLSA-N 0 0 485.579 4.634 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001545702216 1066964780 /nfs/dbraw/zinc/96/47/80/1066964780.db2.gz XSSLUZQCYVLOIV-IBVKSMDESA-N 0 0 453.606 4.640 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001458061533 1066964987 /nfs/dbraw/zinc/96/49/87/1066964987.db2.gz HAHKKSPJRVRWBY-CYBMUJFWSA-N 0 0 459.732 4.867 20 0 JJADRN CCN(C(=O)c1ccc(S(N)(=O)=O)c(C)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702513 1066965151 /nfs/dbraw/zinc/96/51/51/1066965151.db2.gz FKNMFDZGGDBKAN-GOSISDBHSA-N 0 0 452.576 4.541 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)CCOc3ccc(C=O)cc3)C2)n1 ZINC001448862900 1066965159 /nfs/dbraw/zinc/96/51/59/1066965159.db2.gz VUSKDTNUUWFBQS-LJQANCHMSA-N 0 0 450.560 4.806 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@H](CO)c3ccc(Cl)cc3)C2)n1 ZINC001448862952 1066965177 /nfs/dbraw/zinc/96/51/77/1066965177.db2.gz WFVGOOVLTPXFKH-FXAWDEMLSA-N 0 0 456.995 4.954 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)s2)cc1 ZINC001458065193 1066965433 /nfs/dbraw/zinc/96/54/33/1066965433.db2.gz QIWVMUMSUYETHV-UWJYYQICSA-N 0 0 450.560 4.907 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)s2)cc1 ZINC001458065189 1066965462 /nfs/dbraw/zinc/96/54/62/1066965462.db2.gz QIWVMUMSUYETHV-LAUBAEHRSA-N 0 0 450.560 4.907 20 0 JJADRN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458066794 1066965815 /nfs/dbraw/zinc/96/58/15/1066965815.db2.gz IERQENGKQHNASO-UHFFFAOYSA-N 0 0 453.732 4.934 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001545703155 1066965732 /nfs/dbraw/zinc/96/57/32/1066965732.db2.gz AQTTUJPXSLMWHM-HXUWFJFHSA-N 0 0 480.682 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 ZINC001448869302 1066965897 /nfs/dbraw/zinc/96/58/97/1066965897.db2.gz XZZYIXMVNJNUCG-OAHLLOKOSA-N 0 0 459.465 4.972 20 0 JJADRN C[C@H]1c2ccc(C(=O)NCc3sccc3Br)n2CCN1C(=O)OC(C)(C)C ZINC001448873192 1066965983 /nfs/dbraw/zinc/96/59/83/1066965983.db2.gz XDXGKDLWEOPNIT-LBPRGKRZSA-N 0 0 454.390 4.554 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)n[nH]2)c1C ZINC001448869028 1066966021 /nfs/dbraw/zinc/96/60/21/1066966021.db2.gz QIEQQODYXNASAK-CALCHBBNSA-N 0 0 450.587 4.556 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001458067963 1066966117 /nfs/dbraw/zinc/96/61/17/1066966117.db2.gz IUYSQPDVGQDXGW-UHFFFAOYSA-N 0 0 453.757 4.658 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001448878889 1066966249 /nfs/dbraw/zinc/96/62/49/1066966249.db2.gz AEXHLWFJTKOJJT-LLVKDONJSA-N 0 0 459.243 4.892 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCC[C@@H]3CSC)c3ccccc3n2)cc(OC)c1OC ZINC001545705049 1066966370 /nfs/dbraw/zinc/96/63/70/1066966370.db2.gz QBRXRKAGPOXEQN-QGZVFWFLSA-N 0 0 452.576 4.895 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1CC)Oc1ccccc1F ZINC001546010221 1066966428 /nfs/dbraw/zinc/96/64/28/1066966428.db2.gz IHGDNKFITQNPGZ-NSHGMRRFSA-N 0 0 485.629 4.891 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001546010257 1066966462 /nfs/dbraw/zinc/96/64/62/1066966462.db2.gz IWGBXEBJVRVPSJ-GMAHTHKFSA-N 0 0 466.630 4.789 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)o1 ZINC001448890893 1066967106 /nfs/dbraw/zinc/96/71/06/1066967106.db2.gz UJPXUGCYYRFSFB-CQSZACIVSA-N 0 0 453.358 4.644 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)c1ccc(Cl)c(F)c1 ZINC001458074762 1066967707 /nfs/dbraw/zinc/96/77/07/1066967707.db2.gz HCCAPKFNDYTHRY-LJQANCHMSA-N 0 0 455.313 4.761 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC001458073218 1066967780 /nfs/dbraw/zinc/96/77/80/1066967780.db2.gz XTZZEASXKYAEAN-HNNXBMFYSA-N 0 0 457.397 4.593 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001545706323 1066967905 /nfs/dbraw/zinc/96/79/05/1066967905.db2.gz PDKIFAAEKZVKOU-OAQYLSRUSA-N 0 0 485.698 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448896616 1066967919 /nfs/dbraw/zinc/96/79/19/1066967919.db2.gz ANZMVDHJFKEFDE-YTFSRNRJSA-N 0 0 452.599 4.708 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC001448901538 1066968256 /nfs/dbraw/zinc/96/82/56/1066968256.db2.gz DFKFFQWPIZAECQ-UHFFFAOYSA-N 0 0 456.367 4.793 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001545706777 1066968287 /nfs/dbraw/zinc/96/82/87/1066968287.db2.gz YGGVQKJMCZRIBS-NJYVYQBISA-N 0 0 469.674 4.942 20 0 JJADRN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1Sc1nc(C2CCOCC2)ns1 ZINC001458078064 1066968408 /nfs/dbraw/zinc/96/84/08/1066968408.db2.gz AARVCUALFXAKLO-UHFFFAOYSA-N 0 0 451.017 4.993 20 0 JJADRN CCOC(=O)CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001458077987 1066968420 /nfs/dbraw/zinc/96/84/20/1066968420.db2.gz ZSNZISXIBCHYJH-CQSZACIVSA-N 0 0 452.382 4.910 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCc1cc(Br)cnc1OC ZINC001458077176 1066968488 /nfs/dbraw/zinc/96/84/88/1066968488.db2.gz IERCLHJTLMFWRO-UHFFFAOYSA-N 0 0 451.704 4.662 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001448909347 1066968892 /nfs/dbraw/zinc/96/88/92/1066968892.db2.gz OEQSAZAGDDTGNM-ICSRJNTNSA-N 0 0 454.571 4.614 20 0 JJADRN CCc1ccccc1NC(=O)CN1CCN(c2nc(C)nc3scc(CC(C)C)c32)CC1 ZINC001458079473 1066969166 /nfs/dbraw/zinc/96/91/66/1066969166.db2.gz RTWTXPBKKQZMFY-UHFFFAOYSA-N 0 0 451.640 4.521 20 0 JJADRN CCCn1c(Sc2ccc3c(c2)S(=O)(=O)N=C3Cl)nnc1-c1ccc(Cl)cc1 ZINC001458078711 1066969390 /nfs/dbraw/zinc/96/93/90/1066969390.db2.gz KOGIGZJWNIATRS-UHFFFAOYSA-N 0 0 453.376 4.847 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001545708854 1066969440 /nfs/dbraw/zinc/96/94/40/1066969440.db2.gz QUHZGTIIGBCTHW-USHXRURQSA-N 0 0 485.648 4.635 20 0 JJADRN CN(C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)[C@H](CC(N)=O)c1ccccc1 ZINC001448919265 1066969538 /nfs/dbraw/zinc/96/95/38/1066969538.db2.gz GNARFTZEPSPGKU-HSZRJFAPSA-N 0 0 458.949 4.881 20 0 JJADRN COc1ccc(CN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)cc1OC ZINC001458080412 1066969575 /nfs/dbraw/zinc/96/95/75/1066969575.db2.gz MAJDNSXMHUJKFX-GOSISDBHSA-N 0 0 459.608 4.572 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(CCO)cc2)cc1NC(=O)c1ccc(Br)cc1 ZINC001545709626 1066969859 /nfs/dbraw/zinc/96/98/59/1066969859.db2.gz IAGAQWZFUCTRMR-UHFFFAOYSA-N 0 0 453.336 4.797 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001545709337 1066969890 /nfs/dbraw/zinc/96/98/90/1066969890.db2.gz ZVIFCIRPWQUUPW-UTADQONYSA-N 0 0 497.684 4.852 20 0 JJADRN CCc1c(NC(=O)c2cc(C)n(-c3cnccn3)c2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448919864 1066970074 /nfs/dbraw/zinc/97/00/74/1066970074.db2.gz BLWXFUKWDDZVIX-UHFFFAOYSA-N 0 0 454.456 4.903 20 0 JJADRN Clc1ccc(-n2c(CN3CCCC3)nnc2Sc2ncccc2Br)cc1 ZINC001458082673 1066970134 /nfs/dbraw/zinc/97/01/34/1066970134.db2.gz ANLBUIZWAFPUFH-UHFFFAOYSA-N 0 0 450.793 4.825 20 0 JJADRN CN(C)c1cc(C(F)(F)F)nc(Sc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 ZINC001458081691 1066970224 /nfs/dbraw/zinc/97/02/24/1066970224.db2.gz DIJAHFBHNITUFE-UHFFFAOYSA-N 0 0 456.497 4.884 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC001545710049 1066970087 /nfs/dbraw/zinc/97/00/87/1066970087.db2.gz QYJFZZWPBUZUEB-LSDHHAIUSA-N 0 0 452.395 4.690 20 0 JJADRN COc1cc(C(=O)NC[C@@H](CO)Cc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC001545711817 1066970116 /nfs/dbraw/zinc/97/01/16/1066970116.db2.gz BYVKQJDVDVPXND-SFHVURJKSA-N 0 0 457.929 4.648 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001448923583 1066970458 /nfs/dbraw/zinc/97/04/58/1066970458.db2.gz IVGWCIFRDGWRAG-QGZVFWFLSA-N 0 0 451.958 4.971 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)cc1 ZINC001448929980 1066970865 /nfs/dbraw/zinc/97/08/65/1066970865.db2.gz ICGYDSBZDOQERZ-GCJKJVERSA-N 0 0 454.357 4.956 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001458087126 1066971060 /nfs/dbraw/zinc/97/10/60/1066971060.db2.gz FEYRXHFMLMEPBB-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN CCn1c(NC(=O)c2cc(OC)c(Br)s2)nc2cc(Br)ccc21 ZINC001458087052 1066971076 /nfs/dbraw/zinc/97/10/76/1066971076.db2.gz CFJZDWSYLUTEJM-UHFFFAOYSA-N 0 0 459.163 4.904 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC001545716140 1066970979 /nfs/dbraw/zinc/97/09/79/1066970979.db2.gz ITARWKUAVAKVSB-VWLOTQADSA-N 0 0 456.542 4.758 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c1 ZINC001545716084 1066971088 /nfs/dbraw/zinc/97/10/88/1066971088.db2.gz HIKCCSXNZCSQRH-VWLOTQADSA-N 0 0 451.588 4.605 20 0 JJADRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001545716333 1066971129 /nfs/dbraw/zinc/97/11/29/1066971129.db2.gz NQJIABHYGPCPGU-DVECYGJZSA-N 0 0 450.485 4.623 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001458090179 1066971512 /nfs/dbraw/zinc/97/15/12/1066971512.db2.gz YENALKGCPYFWPY-UHFFFAOYSA-N 0 0 456.266 4.623 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545717184 1066971734 /nfs/dbraw/zinc/97/17/34/1066971734.db2.gz HGBFUEUVWNWBLE-VRFNDQNJSA-N 0 0 490.714 4.673 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001545716926 1066971884 /nfs/dbraw/zinc/97/18/84/1066971884.db2.gz CEASBTLRHOQHNW-CEWLAPEOSA-N 0 0 482.641 4.905 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545717183 1066971931 /nfs/dbraw/zinc/97/19/31/1066971931.db2.gz HGBFUEUVWNWBLE-IZVXIEFVSA-N 0 0 490.714 4.673 20 0 JJADRN COc1ccc(COCC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc1 ZINC001458092283 1066972260 /nfs/dbraw/zinc/97/22/60/1066972260.db2.gz GEERDOVUPMUKRA-QGZVFWFLSA-N 0 0 458.530 4.523 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC001448941661 1066972252 /nfs/dbraw/zinc/97/22/52/1066972252.db2.gz VAWVYYPJTDXVHZ-MRXNPFEDSA-N 0 0 454.445 4.543 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001448939359 1066972394 /nfs/dbraw/zinc/97/23/94/1066972394.db2.gz RCIPSIBYVCDFGE-KRWDZBQOSA-N 0 0 452.816 4.889 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545719065 1066972763 /nfs/dbraw/zinc/97/27/63/1066972763.db2.gz AHOVADYPDUVYOM-SFALCAIUSA-N 0 0 455.622 4.842 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1)OC ZINC001546010727 1066972813 /nfs/dbraw/zinc/97/28/13/1066972813.db2.gz QRZJXQMPBCZKRV-PMACEKPBSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001545719192 1066973086 /nfs/dbraw/zinc/97/30/86/1066973086.db2.gz CBCNLCYVRSTCQZ-KKSHJYNMSA-N 0 0 458.672 4.660 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)c1ccccc1 ZINC001545719423 1066973096 /nfs/dbraw/zinc/97/30/96/1066973096.db2.gz GPHIDXURTRYMNU-GGAORHGYSA-N 0 0 450.631 4.703 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)c1ccccc1 ZINC001545719424 1066973119 /nfs/dbraw/zinc/97/31/19/1066973119.db2.gz GPHIDXURTRYMNU-GMAHTHKFSA-N 0 0 450.631 4.703 20 0 JJADRN CC(C)c1c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC001448959821 1066973227 /nfs/dbraw/zinc/97/32/27/1066973227.db2.gz CVHKYMCSCQFXQY-UHFFFAOYSA-N 0 0 452.971 4.961 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545719569 1066973490 /nfs/dbraw/zinc/97/34/90/1066973490.db2.gz JBGQPPDSQRGWFJ-ICSRJNTNSA-N 0 0 453.656 4.678 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC001448961563 1066973625 /nfs/dbraw/zinc/97/36/25/1066973625.db2.gz AEFUBDKMCMDFIR-HSZRJFAPSA-N 0 0 456.558 4.856 20 0 JJADRN C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458095007 1066973761 /nfs/dbraw/zinc/97/37/61/1066973761.db2.gz NUDOOMITOPSJHW-DHINHOHASA-N 0 0 454.498 4.740 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(F)c1 ZINC001458097081 1066974025 /nfs/dbraw/zinc/97/40/25/1066974025.db2.gz SKEVOHBZOGIWFZ-UHFFFAOYSA-N 0 0 457.452 4.986 20 0 JJADRN Cc1ncc(I)c(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC001458095838 1066974107 /nfs/dbraw/zinc/97/41/07/1066974107.db2.gz ICIITXJFBPKTAI-BRPSZJMVSA-N 0 0 453.168 4.711 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCOC(C)(C)C)c1ccccc1 ZINC001545720259 1066974501 /nfs/dbraw/zinc/97/45/01/1066974501.db2.gz UBXVYSLUOTZFMQ-UNMCSNQZSA-N 0 0 450.631 4.882 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1 ZINC001545720452 1066974730 /nfs/dbraw/zinc/97/47/30/1066974730.db2.gz XEIIQFNZWVCQEX-VXKWHMMOSA-N 0 0 476.673 4.803 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)c1ccccc1 ZINC001545720444 1066974818 /nfs/dbraw/zinc/97/48/18/1066974818.db2.gz XCKFOIUFNZMNRW-RBUKOAKNSA-N 0 0 475.424 4.859 20 0 JJADRN C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458100180 1066974894 /nfs/dbraw/zinc/97/48/94/1066974894.db2.gz AGCDEGVWNNGHCZ-CYFREDJKSA-N 0 0 457.998 4.830 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001448977603 1066975077 /nfs/dbraw/zinc/97/50/77/1066975077.db2.gz UJZYALXLJGQYNA-IAGOWNOFSA-N 0 0 459.413 4.902 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc(OC)c1 ZINC001545720926 1066975203 /nfs/dbraw/zinc/97/52/03/1066975203.db2.gz JJRZNXKKSHCIOL-SFHVURJKSA-N 0 0 455.938 4.731 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)c1C ZINC001448987343 1066975380 /nfs/dbraw/zinc/97/53/80/1066975380.db2.gz AFFLFQJKCPPYSP-UHFFFAOYSA-N 0 0 456.506 4.517 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCC1(OC)CCC1)c1ccccc1 ZINC001545721531 1066975557 /nfs/dbraw/zinc/97/55/57/1066975557.db2.gz BQQVFYWKWJKSIP-JOCHJYFZSA-N 0 0 450.631 4.766 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001545721211 1066975702 /nfs/dbraw/zinc/97/57/02/1066975702.db2.gz RTLIFZGHPUEJKD-UHFFFAOYSA-N 0 0 452.576 4.741 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCOc3ccc(Br)cc32)n(-c2ccccc2)n1 ZINC001458101503 1066975791 /nfs/dbraw/zinc/97/57/91/1066975791.db2.gz FGYFFGDLIAJPDV-YWZLYKJASA-N 0 0 454.368 4.557 20 0 JJADRN CC(C)(CO)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 ZINC001448992285 1066975788 /nfs/dbraw/zinc/97/57/88/1066975788.db2.gz BGXVUWXRDLKPTF-HXUWFJFHSA-N 0 0 450.539 4.625 20 0 JJADRN Cc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c(Br)n1 ZINC001458102958 1066976084 /nfs/dbraw/zinc/97/60/84/1066976084.db2.gz PSLHDMCXOBORRO-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)ccc1Cl ZINC001448995760 1066976104 /nfs/dbraw/zinc/97/61/04/1066976104.db2.gz APLZUWNXBUNFJH-UHFFFAOYSA-N 0 0 458.971 4.502 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)n[nH]2)cc1OC ZINC001448999642 1066976275 /nfs/dbraw/zinc/97/62/75/1066976275.db2.gz LWJWRVPFDMXXTP-UHFFFAOYSA-N 0 0 459.890 4.657 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545721925 1066976363 /nfs/dbraw/zinc/97/63/63/1066976363.db2.gz JWPUOKJPNAIOHS-CGKQSPDFSA-N 0 0 457.644 4.608 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001449001168 1066976516 /nfs/dbraw/zinc/97/65/16/1066976516.db2.gz OPRYCZXKFOAULH-UHFFFAOYSA-N 0 0 450.970 4.719 20 0 JJADRN C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458103018 1066976563 /nfs/dbraw/zinc/97/65/63/1066976563.db2.gz 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ZINC001545728047 1066985197 /nfs/dbraw/zinc/98/51/97/1066985197.db2.gz FABLZBDFLNCLOM-KITAHSCOSA-N 0 0 458.672 4.831 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545728030 1066985209 /nfs/dbraw/zinc/98/52/09/1066985209.db2.gz DTSDSYPWFWXHNF-QFIPXVFZSA-N 0 0 463.655 4.896 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC001458136478 1066985607 /nfs/dbraw/zinc/98/56/07/1066985607.db2.gz SQESLHHTKJOTSK-KRWDZBQOSA-N 0 0 453.461 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545728255 1066985549 /nfs/dbraw/zinc/98/55/49/1066985549.db2.gz IQOUAIFBTGOFFZ-BHIFYINESA-N 0 0 469.699 4.989 20 0 JJADRN CC[C@@H](c1nnc(N(CC)CC2CCC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545728251 1066985652 /nfs/dbraw/zinc/98/56/52/1066985652.db2.gz IMEGLAAGSQWRLE-HSZRJFAPSA-N 0 0 453.631 4.925 20 0 JJADRN COc1cc(CC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1O ZINC001546011752 1066985584 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/nfs/dbraw/zinc/98/64/91/1066986491.db2.gz OQJSSPPGPNJVOQ-YADHBBJMSA-N 0 0 458.672 4.660 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC001458142481 1066986768 /nfs/dbraw/zinc/98/67/68/1066986768.db2.gz JTTFRCQMOBBAPU-XMMPIXPASA-N 0 0 456.974 4.933 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C)c(I)c1 ZINC001458142166 1066986806 /nfs/dbraw/zinc/98/68/06/1066986806.db2.gz IBMBULXQTUREQK-GOSISDBHSA-N 0 0 458.727 4.626 20 0 JJADRN CC[C@H](c1nnc(N(C)OC2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545728938 1066986867 /nfs/dbraw/zinc/98/68/67/1066986867.db2.gz UJLDIFRIRLNPKC-QFIPXVFZSA-N 0 0 453.631 4.779 20 0 JJADRN CC[C@@H](c1nnc(N(C)OC2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545728937 1066986902 /nfs/dbraw/zinc/98/69/02/1066986902.db2.gz UJLDIFRIRLNPKC-JOCHJYFZSA-N 0 0 453.631 4.779 20 0 JJADRN C[C@@H](O)c1cc(NC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC001449168911 1066986980 /nfs/dbraw/zinc/98/69/80/1066986980.db2.gz PHQPAWMVFLVQCG-QGZVFWFLSA-N 0 0 457.546 4.699 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC001545730035 1066987052 /nfs/dbraw/zinc/98/70/52/1066987052.db2.gz PPSMHUABXMUZGB-HKUYNNGSSA-N 0 0 454.542 4.822 20 0 JJADRN CC[C@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545729170 1066987198 /nfs/dbraw/zinc/98/71/98/1066987198.db2.gz XSQLAUDKSFDJFA-ZEQRLZLVSA-N 0 0 467.658 4.618 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]3CCCC[C@]3(C)NC(=O)OC(C)(C)C)n2)cc1 ZINC001545730418 1066987442 /nfs/dbraw/zinc/98/74/42/1066987442.db2.gz ZETAEIHZHIPACP-GIIVHJRKSA-N 0 0 456.587 4.950 20 0 JJADRN C[C@]1(C(=O)N2CCCN(c3ccccc3Cl)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001449176927 1066987440 /nfs/dbraw/zinc/98/74/40/1066987440.db2.gz LRWPNGITFLLYHG-JOCHJYFZSA-N 0 0 450.341 4.755 20 0 JJADRN Brc1cc(CNc2ncnc3cc(I)sc32)cs1 ZINC001458145399 1066987647 /nfs/dbraw/zinc/98/76/47/1066987647.db2.gz QITNJIXSZZADHU-UHFFFAOYSA-N 0 0 452.140 4.732 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545730477 1066987887 /nfs/dbraw/zinc/98/78/87/1066987887.db2.gz AOJNPEYKABJDKZ-ITTUMRLJSA-N 0 0 471.646 4.594 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001458146592 1066987990 /nfs/dbraw/zinc/98/79/90/1066987990.db2.gz XHBMBSHATWPSMX-UHFFFAOYSA-N 0 0 459.449 4.808 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1ccc(C(F)(F)F)cc1 ZINC001458147372 1066988001 /nfs/dbraw/zinc/98/80/01/1066988001.db2.gz LEKCNQJUHYLUEU-QGZVFWFLSA-N 0 0 457.378 4.827 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC001458147244 1066988015 /nfs/dbraw/zinc/98/80/15/1066988015.db2.gz ZYTPNQBMAUNOAJ-HXUWFJFHSA-N 0 0 451.017 4.984 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@@H](C)COc2ccccc2OC)CCO1 ZINC001546097505 1066988220 /nfs/dbraw/zinc/98/82/20/1066988220.db2.gz LQNZLDRXUNJWRH-IBVKSMDESA-N 0 0 456.631 4.740 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001449180622 1066988459 /nfs/dbraw/zinc/98/84/59/1066988459.db2.gz WHJVJSCRYJZALB-KOSHJBKYSA-N 0 0 450.023 4.852 20 0 JJADRN O=C(OCc1cn(-c2ccccc2Cl)nn1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001458149674 1066988661 /nfs/dbraw/zinc/98/86/61/1066988661.db2.gz GSAVLXSHJDBCBO-UHFFFAOYSA-N 0 0 450.695 4.597 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC001458149761 1066988734 /nfs/dbraw/zinc/98/87/34/1066988734.db2.gz OESGPBXXTGKYML-LJQANCHMSA-N 0 0 459.571 4.582 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)S(=O)(=O)C1CCCCC1 ZINC001458150312 1066988754 /nfs/dbraw/zinc/98/87/54/1066988754.db2.gz XNGRVNMGUBWSAR-LJQANCHMSA-N 0 0 457.518 4.602 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCOC)c1ccccc1 ZINC001545730792 1066988758 /nfs/dbraw/zinc/98/87/58/1066988758.db2.gz GDKBBGLCXDCARD-FCEUIQTBSA-N 0 0 471.646 4.596 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001545730861 1066988875 /nfs/dbraw/zinc/98/88/75/1066988875.db2.gz HEBYLNLBIKAJJX-SGUKYYTLSA-N 0 0 484.666 4.635 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccnc1)c1ccccc1 ZINC001545730941 1066989099 /nfs/dbraw/zinc/98/90/99/1066989099.db2.gz ICKOZBQCOZKKHX-AGILITTLSA-N 0 0 490.652 4.807 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccnc1)c1ccccc1 ZINC001545730943 1066989109 /nfs/dbraw/zinc/98/91/09/1066989109.db2.gz ICKOZBQCOZKKHX-TUACAJSNSA-N 0 0 490.652 4.807 20 0 JJADRN O=C(Nc1ccc(OCCCO)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001449208135 1066989310 /nfs/dbraw/zinc/98/93/10/1066989310.db2.gz YICFGQQHFHLFCG-AHKZPQOWSA-N 0 0 458.558 4.566 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731053 1066989564 /nfs/dbraw/zinc/98/95/64/1066989564.db2.gz JHTDMKUKYZGJAG-UWXQAFAOSA-N 0 0 497.684 4.985 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731104 1066989576 /nfs/dbraw/zinc/98/95/76/1066989576.db2.gz JURXDCTVCSFWNS-TYPHKJRUSA-N 0 0 488.558 4.873 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731106 1066989669 /nfs/dbraw/zinc/98/96/69/1066989669.db2.gz JVVBHXHETCQQGI-SFHLNBCPSA-N 0 0 471.646 4.737 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@@H](C)S1(=O)=O ZINC001449209550 1066989594 /nfs/dbraw/zinc/98/95/94/1066989594.db2.gz UZVQPJZFNJWBGB-JSNMRZPZSA-N 0 0 456.391 4.538 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)S1(=O)=O ZINC001449209558 1066989618 /nfs/dbraw/zinc/98/96/18/1066989618.db2.gz UZVQPJZFNJWBGB-VHKYSDTDSA-N 0 0 456.391 4.538 20 0 JJADRN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)c1c(Cl)cccc1Cl ZINC001458153220 1066989711 /nfs/dbraw/zinc/98/97/11/1066989711.db2.gz FGMVGIMOCZZEFZ-HSZRJFAPSA-N 0 0 456.329 4.577 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001449213139 1066989712 /nfs/dbraw/zinc/98/97/12/1066989712.db2.gz UZVQNURPXKLPJJ-UHFFFAOYSA-N 0 0 459.509 4.570 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cc1 ZINC001449218069 1066989940 /nfs/dbraw/zinc/98/99/40/1066989940.db2.gz MPHLFDNMGBIBGH-AYBZRNKSSA-N 0 0 458.521 4.881 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c2ccccc2OC)cc1 ZINC001458154409 1066990317 /nfs/dbraw/zinc/99/03/17/1066990317.db2.gz LRFWIPWVBNVMLH-AREMUKBSSA-N 0 0 458.558 4.849 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc(NC(=O)C=Cc3cc4cnn(C(C)C)c4[nH]c3=O)sc2C1 ZINC001449221678 1066990514 /nfs/dbraw/zinc/99/05/14/1066990514.db2.gz CNCHJMRMYVSRSA-JEZWAEDTSA-N 0 0 453.612 4.955 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154604 1066990616 /nfs/dbraw/zinc/99/06/16/1066990616.db2.gz OMEMKPQZPKMLRW-NTKDMRAZSA-N 0 0 451.611 4.718 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCn1cc(Cl)cn1)c1ccccc1 ZINC001545731306 1066990781 /nfs/dbraw/zinc/99/07/81/1066990781.db2.gz MTNDGOFPTYVBJG-HXUWFJFHSA-N 0 0 457.022 4.764 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1NC(=O)NC(C)(C)C ZINC001449226011 1066990804 /nfs/dbraw/zinc/99/08/04/1066990804.db2.gz KLJVWSRKRWADRQ-HXUWFJFHSA-N 0 0 458.603 4.532 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731429 1066991139 /nfs/dbraw/zinc/99/11/39/1066991139.db2.gz OCWOSWZLBVGRQI-QLBZUPSYSA-N 0 0 480.575 4.917 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001458156534 1066991144 /nfs/dbraw/zinc/99/11/44/1066991144.db2.gz GCXYEEANKLBLSP-DFBJGRDBSA-N 0 0 456.539 4.841 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228765 1066991152 /nfs/dbraw/zinc/99/11/52/1066991152.db2.gz OAJIXPQKUUZIRQ-YLJYHZDGSA-N 0 0 457.368 4.765 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CSC[C@@H]1C ZINC001449230831 1066991201 /nfs/dbraw/zinc/99/12/01/1066991201.db2.gz UMFGDWNPDIVLAY-FFLGGZPMSA-N 0 0 452.620 4.808 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155860 1066991310 /nfs/dbraw/zinc/99/13/10/1066991310.db2.gz SNRPEUAUWXIQAA-OPAMFIHVSA-N 0 0 450.410 4.835 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)Nc3ccc4nnc(Br)n4n3)cc2)cc1 ZINC001458156399 1066991443 /nfs/dbraw/zinc/99/14/43/1066991443.db2.gz JRGQXMZQQJEORW-INIZCTEOSA-N 0 0 452.356 4.817 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(OC)C2)n1Cc1cc(Br)cs1)c1ccccc1 ZINC001545731529 1066991776 /nfs/dbraw/zinc/99/17/76/1066991776.db2.gz POADWILJDVHPSY-SFHVURJKSA-N 0 0 461.429 4.917 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(Br)cc2OC)c2ccccc2OC)cc1 ZINC001458157454 1066992145 /nfs/dbraw/zinc/99/21/45/1066992145.db2.gz WWHCVCAXULRJBK-QFIPXVFZSA-N 0 0 456.336 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449241612 1066992140 /nfs/dbraw/zinc/99/21/40/1066992140.db2.gz OJIISHUIDIFGTD-WGLAPVJTSA-N 0 0 457.398 4.736 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545731881 1066992249 /nfs/dbraw/zinc/99/22/49/1066992249.db2.gz UPWYEJYNZIYPRA-GCJKJVERSA-N 0 0 484.588 4.847 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC001449235311 1066992241 /nfs/dbraw/zinc/99/22/41/1066992241.db2.gz QCBLAHCXYOABCE-UHFFFAOYSA-N 0 0 459.271 4.857 20 0 JJADRN O=C(CN1CCCCS1(=O)=O)N[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001458159897 1066992621 /nfs/dbraw/zinc/99/26/21/1066992621.db2.gz CQKNSQWYZIKWDN-DEOSSOPVSA-N 0 0 456.608 4.642 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)Nc2cc(F)c(F)cc2Br)n1 ZINC001458159519 1066992667 /nfs/dbraw/zinc/99/26/67/1066992667.db2.gz SRHJEFUXPPRPRX-UHFFFAOYSA-N 0 0 459.291 4.645 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cnc(C)s3)n2-c2ccc(C)cc2)cc1 ZINC001458159715 1066992767 /nfs/dbraw/zinc/99/27/67/1066992767.db2.gz MZQVRWHKIKWOLD-UHFFFAOYSA-N 0 0 451.577 4.747 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)nc1 ZINC001449245852 1066992640 /nfs/dbraw/zinc/99/26/40/1066992640.db2.gz VPDXBCWJMBQIMY-GOSISDBHSA-N 0 0 454.354 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449247190 1066992681 /nfs/dbraw/zinc/99/26/81/1066992681.db2.gz WBMIADHTMWSLDK-BEFAXECRSA-N 0 0 459.414 4.960 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545731927 1066992769 /nfs/dbraw/zinc/99/27/69/1066992769.db2.gz VGVRVCSMNYLQPO-VSBUBRIKSA-N 0 0 470.658 4.798 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccccc3)cc2OC)cc1 ZINC001458160150 1066992841 /nfs/dbraw/zinc/99/28/41/1066992841.db2.gz WVFHHPSJGBIGDO-UHFFFAOYSA-N 0 0 452.532 4.807 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(OC)nc1OC)c1ccccc1 ZINC001545732060 1066993081 /nfs/dbraw/zinc/99/30/81/1066993081.db2.gz WZRVMSSTHHMMAI-LVCYWYKZSA-N 0 0 467.639 4.611 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2)c1 ZINC001449260207 1066993259 /nfs/dbraw/zinc/99/32/59/1066993259.db2.gz APJPOVCIJJRYON-QFIPXVFZSA-N 0 0 458.555 4.662 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449261742 1066993271 /nfs/dbraw/zinc/99/32/71/1066993271.db2.gz QGQAZHKNSHKTPL-DYESRHJHSA-N 0 0 459.775 4.524 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(OC)nc1OC)c1ccccc1 ZINC001545732061 1066993291 /nfs/dbraw/zinc/99/32/91/1066993291.db2.gz WZRVMSSTHHMMAI-UEXGIBASSA-N 0 0 467.639 4.611 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449261755 1066993708 /nfs/dbraw/zinc/99/37/08/1066993708.db2.gz QGQAZHKNSHKTPL-UWJYYQICSA-N 0 0 459.775 4.524 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545732172 1066993745 /nfs/dbraw/zinc/99/37/45/1066993745.db2.gz YRFMPMQLKCSGGF-ATZDWAIDSA-N 0 0 494.587 4.769 20 0 JJADRN Cc1nc2c(s1)[C@H](N(C)c1cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c1Cl)CCC2 ZINC001458166742 1066993912 /nfs/dbraw/zinc/99/39/12/1066993912.db2.gz MSKJMEPATUAZBF-CYBMUJFWSA-N 0 0 455.893 4.578 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)OC ZINC001546012526 1066994128 /nfs/dbraw/zinc/99/41/28/1066994128.db2.gz KGEKBUJNDXNMAL-ZTQAJYAQSA-N 0 0 469.413 4.593 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC001545733129 1066994447 /nfs/dbraw/zinc/99/44/47/1066994447.db2.gz UXDFVAPYHXIQCU-GMAHTHKFSA-N 0 0 451.611 4.845 20 0 JJADRN COCCC[C@H](CNC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001449271183 1066994483 /nfs/dbraw/zinc/99/44/83/1066994483.db2.gz TYFFKLWUDKZGJV-GOSISDBHSA-N 0 0 456.986 4.706 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545733510 1066994961 /nfs/dbraw/zinc/99/49/61/1066994961.db2.gz COMUTRQJNDHXJK-RBZQAINGSA-N 0 0 468.642 4.661 20 0 JJADRN COC[C@@](C)(O)CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC001458169981 1066995081 /nfs/dbraw/zinc/99/50/81/1066995081.db2.gz GLDBLUWJEJNMGM-NRFANRHFSA-N 0 0 450.029 4.935 20 0 JJADRN C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001449284512 1066995436 /nfs/dbraw/zinc/99/54/36/1066995436.db2.gz LCASIAQUJKRAKX-UKRRQHHQSA-N 0 0 457.411 4.725 20 0 JJADRN COCC1(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC001449282739 1066995526 /nfs/dbraw/zinc/99/55/26/1066995526.db2.gz QOMRXINPYZFHGT-DEOSSOPVSA-N 0 0 450.579 4.625 20 0 JJADRN CNC(=O)Nc1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1F ZINC001449283943 1066995548 /nfs/dbraw/zinc/99/55/48/1066995548.db2.gz YOONUCHKDMDCHT-UHFFFAOYSA-N 0 0 451.483 4.511 20 0 JJADRN O=C(Oc1cccc(F)c1I)c1cccc(OCc2cscn2)c1 ZINC001458172167 1066995629 /nfs/dbraw/zinc/99/56/29/1066995629.db2.gz BTLPGEOXTPDGSW-UHFFFAOYSA-N 0 0 455.248 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(OC(=O)Cc3csc(-c4cccnc4)n3)cc2C1 ZINC001458171932 1066995648 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LMGPRJLIJGMXEQ-PXDATVDWSA-N 0 0 479.669 4.544 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545733839 1066996306 /nfs/dbraw/zinc/99/63/06/1066996306.db2.gz JAOPBZTVAQINKM-SYYKKAFVSA-N 0 0 452.624 4.760 20 0 JJADRN O=C(c1cc(F)c(F)cc1F)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173701 1066996354 /nfs/dbraw/zinc/99/63/54/1066996354.db2.gz QKOQAODWFWRSLC-UHFFFAOYSA-N 0 0 454.492 4.668 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCc2ccc(OC(C)(C)C)cc2)cc1 ZINC001458173255 1066996373 /nfs/dbraw/zinc/99/63/73/1066996373.db2.gz ODVNDVOOWNYGMJ-UHFFFAOYSA-N 0 0 455.558 4.844 20 0 JJADRN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001458174139 1066996731 /nfs/dbraw/zinc/99/67/31/1066996731.db2.gz NEQWHGCWFOEBOZ-KGLIPLIRSA-N 0 0 451.748 4.788 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001458174833 1066996743 /nfs/dbraw/zinc/99/67/43/1066996743.db2.gz SHIJZNVZAJHQSM-YIXXDRMTSA-N 0 0 450.579 4.571 20 0 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CKOPNFXMLWOEIT-KVZCNWPJSA-N 0 0 453.675 4.802 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545735440 1066998472 /nfs/dbraw/zinc/99/84/72/1066998472.db2.gz AENTXKGOFWIIFD-VXKWHMMOSA-N 0 0 479.591 4.710 20 0 JJADRN CC(C)CN(CC(C)(C)C)C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001545734951 1066998578 /nfs/dbraw/zinc/99/85/78/1066998578.db2.gz FVWHTXCLFSNDQJ-KDURUIRLSA-N 0 0 458.672 4.866 20 0 JJADRN COC(=O)[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)Cc1cccc2ccccc21 ZINC001458180078 1066998672 /nfs/dbraw/zinc/99/86/72/1066998672.db2.gz KAXKKGWPPRSUBX-KRWDZBQOSA-N 0 0 451.466 4.577 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Cc2nc(C3CCCCC3)cs2)C1 ZINC001449319758 1066998734 /nfs/dbraw/zinc/99/87/34/1066998734.db2.gz FMEIARJTGFSRPP-QFIPXVFZSA-N 0 0 453.652 4.863 20 0 JJADRN O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001449315521 1066998849 /nfs/dbraw/zinc/99/88/49/1066998849.db2.gz KBYNMIWAFGDVFB-UHFFFAOYSA-N 0 0 450.560 4.739 20 0 JJADRN 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ZINC001449325134 1066999582 /nfs/dbraw/zinc/99/95/82/1066999582.db2.gz LNEQITDKUZBSHQ-GOSISDBHSA-N 0 0 450.913 4.685 20 0 JJADRN Cc1ccc(N2CCN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1 ZINC001449326064 1066999684 /nfs/dbraw/zinc/99/96/84/1066999684.db2.gz JIRDIEMUIYEBIU-DAXSKMNVSA-N 0 0 456.386 4.921 20 0 JJADRN COc1cc(F)c([C@@H](C)Nc2ncnc3ccc(I)cc32)cc1OC ZINC001458185299 1066999672 /nfs/dbraw/zinc/99/96/72/1066999672.db2.gz ZPXPXXZMDOOACH-SNVBAGLBSA-N 0 0 453.255 4.564 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185444 1066999756 /nfs/dbraw/zinc/99/97/56/1066999756.db2.gz XHTLYTMDIUJLHH-GGAORHGYSA-N 0 0 454.615 4.785 20 0 JJADRN O=C(Nc1cccc2oc(C(F)(F)F)nc21)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458184891 1066999808 /nfs/dbraw/zinc/99/98/08/1066999808.db2.gz CBGGYRDHNIKZAP-ZDUSSCGKSA-N 0 0 455.845 4.654 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc(Cl)ccc3Br)c(C)c12 ZINC001458186393 1067000181 /nfs/dbraw/zinc/00/01/81/1067000181.db2.gz IIQTWUDIMLBGTJ-UHFFFAOYSA-N 0 0 451.752 4.581 20 0 JJADRN CCOC(=O)CN(C(=O)[C@H](C)Oc1ccccc1F)[C@@H](C)c1cccc(Br)c1 ZINC001458186804 1067000212 /nfs/dbraw/zinc/00/02/12/1067000212.db2.gz JNPUIITVQRLLGA-GJZGRUSLSA-N 0 0 452.320 4.508 20 0 JJADRN COc1cccc(Br)c1OC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC001458189566 1067000412 /nfs/dbraw/zinc/00/04/12/1067000412.db2.gz XNWGLBJOCMFORZ-UHFFFAOYSA-N 0 0 458.337 4.996 20 0 JJADRN CCOC(=O)CN(C(=O)[C@@H](C)Oc1ccccc1F)[C@@H](C)c1cccc(Br)c1 ZINC001458186808 1067000482 /nfs/dbraw/zinc/00/04/82/1067000482.db2.gz JNPUIITVQRLLGA-LSDHHAIUSA-N 0 0 452.320 4.508 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCNC(=O)c1ccco1)c1ccccc1 ZINC001545736654 1067000599 /nfs/dbraw/zinc/00/05/99/1067000599.db2.gz TYTPFPOZEGSFKZ-IBGZPJMESA-N 0 0 498.425 4.722 20 0 JJADRN COc1cc(-c2noc(CCCCCNc3ncc(Br)cc3F)n2)ccc1O ZINC001458190969 1067000896 /nfs/dbraw/zinc/00/08/96/1067000896.db2.gz LTYFDNDVKHMASX-UHFFFAOYSA-N 0 0 451.296 4.572 20 0 JJADRN COCCCOc1ccc(NC(=O)c2cc3c(ccc(Br)c3F)[nH]2)cc1OC ZINC001449332322 1067000780 /nfs/dbraw/zinc/00/07/80/1067000780.db2.gz GUFWFMJNBFPYBP-UHFFFAOYSA-N 0 0 451.292 4.746 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(OC)cc2)nnc1N1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC001546013214 1067000793 /nfs/dbraw/zinc/00/07/93/1067000793.db2.gz WQDWHSNHYPUYFW-SFHVURJKSA-N 0 0 473.618 4.548 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@]3(CCC)CCOC3)c2)cc1 ZINC001449331488 1067000860 /nfs/dbraw/zinc/00/08/60/1067000860.db2.gz NIQMZNLTBKRBBZ-VWLOTQADSA-N 0 0 458.624 4.827 20 0 JJADRN Cc1nc2scc(CC(C)C)c2c(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC001458192781 1067001087 /nfs/dbraw/zinc/00/10/87/1067001087.db2.gz CVOVGKOFTQWKFQ-UHFFFAOYSA-N 0 0 458.653 4.605 20 0 JJADRN O=C(NC1CCCC1)N1CCC[C@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)C1 ZINC001449336005 1067001229 /nfs/dbraw/zinc/00/12/29/1067001229.db2.gz WQAMOGVTOGZTKR-IBGZPJMESA-N 0 0 451.533 4.808 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545736951 1067001448 /nfs/dbraw/zinc/00/14/48/1067001448.db2.gz XSTVUJHMFSJGAG-QGZVFWFLSA-N 0 0 450.534 4.807 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)=C(Br)C2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001545736995 1067001456 /nfs/dbraw/zinc/00/14/56/1067001456.db2.gz YJXCCDGOUSONRS-LJQANCHMSA-N 0 0 486.458 4.745 20 0 JJADRN NS(=O)(=O)c1ccc(SCC(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cc1 ZINC001545737705 1067001789 /nfs/dbraw/zinc/00/17/89/1067001789.db2.gz QJKCKRULUCVRJA-NRFANRHFSA-N 0 0 453.029 4.517 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC001458198534 1067001825 /nfs/dbraw/zinc/00/18/25/1067001825.db2.gz IXJIXWBJCLXRON-VQTJNVASSA-N 0 0 453.608 4.533 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@@H](c4ccccc4C)C[C@H]3C)c2c1C ZINC001458197788 1067001930 /nfs/dbraw/zinc/00/19/30/1067001930.db2.gz LPFYINPGLYABRG-AEFFLSMTSA-N 0 0 452.624 4.929 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001545738117 1067001954 /nfs/dbraw/zinc/00/19/54/1067001954.db2.gz BZPGQXLYIWUFRX-HSZRJFAPSA-N 0 0 450.631 4.581 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(c2nn3c(nnc3C(F)(F)F)c(C)c2C)C1 ZINC001458201298 1067002272 /nfs/dbraw/zinc/00/22/72/1067002272.db2.gz YXFATLHOCUYVPS-CQSZACIVSA-N 0 0 453.896 4.881 20 0 JJADRN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001449354033 1067002303 /nfs/dbraw/zinc/00/23/03/1067002303.db2.gz YGRWSZKTSVMRBA-AWEZNQCLSA-N 0 0 455.321 4.554 20 0 JJADRN O=C(N(Cc1ccccc1)C[C@@H](O)c1ccccc1)C1(c2ccc(F)cc2F)CCOCC1 ZINC001449351921 1067002415 /nfs/dbraw/zinc/00/24/15/1067002415.db2.gz ANCRFUWAOIXLEB-RUZDIDTESA-N 0 0 451.513 4.775 20 0 JJADRN CC[C@@H]1CN(c2ncc(Br)cc2F)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001458204233 1067002571 /nfs/dbraw/zinc/00/25/71/1067002571.db2.gz PUAHGRSCSZXFFC-ZWKOTPCHSA-N 0 0 450.352 4.999 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001449354034 1067002478 /nfs/dbraw/zinc/00/24/78/1067002478.db2.gz JAPWQKQJGQDYCF-SFHVURJKSA-N 0 0 458.584 4.913 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001545738390 1067002632 /nfs/dbraw/zinc/00/26/32/1067002632.db2.gz HIUSADIBMLYSGY-ZEQRLZLVSA-N 0 0 451.659 4.999 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H](C)c1nccs1)c1ccccc1 ZINC001545738343 1067002687 /nfs/dbraw/zinc/00/26/87/1067002687.db2.gz GPHJCAKXXAYLIX-RXVVDRJESA-N 0 0 466.655 4.562 20 0 JJADRN CCOC(=O)CN(C(=O)[C@@H](C)Cc1cccc(F)c1)[C@@H](C)c1cccc(Br)c1 ZINC001458207326 1067002730 /nfs/dbraw/zinc/00/27/30/1067002730.db2.gz XLRFAQMVEAXUIL-HOTGVXAUSA-N 0 0 450.348 4.920 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001449355185 1067002893 /nfs/dbraw/zinc/00/28/93/1067002893.db2.gz GVFXGIPSMUTWRU-RUZDIDTESA-N 0 0 457.599 4.786 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c(F)cccc1N1CCCC1)Cc1ccccc1 ZINC001449356898 1067003099 /nfs/dbraw/zinc/00/30/99/1067003099.db2.gz PKAPLSYBGKTJGL-HXUWFJFHSA-N 0 0 455.574 4.568 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC001449356309 1067003159 /nfs/dbraw/zinc/00/31/59/1067003159.db2.gz NIEAJGZLOJTEKY-IBGZPJMESA-N 0 0 456.486 4.618 20 0 JJADRN COc1ccc([C@@H](Nc2ccnc(Cc3ccccc3)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458207823 1067003086 /nfs/dbraw/zinc/00/30/86/1067003086.db2.gz JGJWCEUEOUSDBE-AREMUKBSSA-N 0 0 459.571 4.681 20 0 JJADRN O=C([C@H]1CCc2cc(Br)ccc21)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458207859 1067003125 /nfs/dbraw/zinc/00/31/25/1067003125.db2.gz CRQLCGPPYPCJSH-IBGZPJMESA-N 0 0 453.302 4.847 20 0 JJADRN CCOC(=O)CN(C(=O)COc1cccc(Cl)c1)[C@H](C)c1cccc(Br)c1 ZINC001458207479 1067003218 /nfs/dbraw/zinc/00/32/18/1067003218.db2.gz YFRTWLAWZRJXQV-CQSZACIVSA-N 0 0 454.748 4.634 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449357585 1067003251 /nfs/dbraw/zinc/00/32/51/1067003251.db2.gz MSAQASQCLQAVEC-ZNBJOCHUSA-N 0 0 464.606 4.808 20 0 JJADRN CCOC(=O)CN(C(=O)[C@@H](C)Cc1cccc(F)c1)[C@H](C)c1cccc(Br)c1 ZINC001458207333 1067003255 /nfs/dbraw/zinc/00/32/55/1067003255.db2.gz XLRFAQMVEAXUIL-JKSUJKDBSA-N 0 0 450.348 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3nc(C)no3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545738602 1067003404 /nfs/dbraw/zinc/00/34/04/1067003404.db2.gz KWZOMLOFXAXEBZ-OAQYLSRUSA-N 0 0 452.603 4.711 20 0 JJADRN CCCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(OCc2ccccc2)c1 ZINC001449359081 1067003431 /nfs/dbraw/zinc/00/34/31/1067003431.db2.gz WVYXKZDRSXMENR-RXVVDRJESA-N 0 0 451.485 4.687 20 0 JJADRN CC(C)n1ncc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1-c1ccccc1 ZINC001458210397 1067003582 /nfs/dbraw/zinc/00/35/82/1067003582.db2.gz BKPFYBJSNZBJAW-KSEOMHKRSA-N 0 0 452.599 4.896 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545738837 1067003627 /nfs/dbraw/zinc/00/36/27/1067003627.db2.gz PCXNRHQTAXOAID-JOCHJYFZSA-N 0 0 494.709 4.975 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N(Cc3ccccc3)C[C@H](O)c3ccccc3)n2)ccc1F ZINC001449361176 1067003822 /nfs/dbraw/zinc/00/38/22/1067003822.db2.gz XJVFNECWKYDLBH-DEOSSOPVSA-N 0 0 459.521 4.879 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc2ccccc2c1 ZINC001458211239 1067003927 /nfs/dbraw/zinc/00/39/27/1067003927.db2.gz CTQKVEHRQPZGOU-AREMUKBSSA-N 0 0 458.514 4.597 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H](C)c1nccs1)c1ccccc1 ZINC001545738860 1067004060 /nfs/dbraw/zinc/00/40/60/1067004060.db2.gz PHCLQHLZMKZBSE-KNQAVFIVSA-N 0 0 480.682 4.775 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(C)c1Br ZINC001458213226 1067004123 /nfs/dbraw/zinc/00/41/23/1067004123.db2.gz KWZWPRNDUJGWIY-RYQLBKOJSA-N 0 0 451.405 4.831 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC=CCO1)c1ccccc1 ZINC001545739144 1067004254 /nfs/dbraw/zinc/00/42/54/1067004254.db2.gz UNGNGPVOGHXYLG-ZEQRLZLVSA-N 0 0 495.668 4.906 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCO1)c1ccccc1 ZINC001545739143 1067004308 /nfs/dbraw/zinc/00/43/08/1067004308.db2.gz UNGNGPVOGHXYLG-RPWUZVMVSA-N 0 0 495.668 4.906 20 0 JJADRN C[C@H](CCOc1ccccc1)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449365358 1067004362 /nfs/dbraw/zinc/00/43/62/1067004362.db2.gz KLDYBOSDNWPKTN-LJQANCHMSA-N 0 0 456.384 4.780 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)C[C@H]21 ZINC001458214097 1067004427 /nfs/dbraw/zinc/00/44/27/1067004427.db2.gz OKMAZJHNCANAQB-JJRVBVJISA-N 0 0 457.796 4.868 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3ccc(C(=O)OCc4ccccc4)[nH]3)CC2)cc1Cl ZINC001449365379 1067004549 /nfs/dbraw/zinc/00/45/49/1067004549.db2.gz WNUAIGRFFDJCAV-UHFFFAOYSA-N 0 0 451.954 4.550 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739273 1067004707 /nfs/dbraw/zinc/00/47/07/1067004707.db2.gz XHXRCRLFWUIROL-BWAGFHJFSA-N 0 0 490.574 4.590 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cccnc3Oc3cccc(Br)c3)CC2)cc1 ZINC001458215211 1067004782 /nfs/dbraw/zinc/00/47/82/1067004782.db2.gz LVKOLBLVPWXANT-UHFFFAOYSA-N 0 0 452.352 4.907 20 0 JJADRN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1Br ZINC001458216296 1067005128 /nfs/dbraw/zinc/00/51/28/1067005128.db2.gz ZYSPZUYVUNTCDG-OFQRWUPVSA-N 0 0 455.368 4.662 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545739407 1067005187 /nfs/dbraw/zinc/00/51/87/1067005187.db2.gz ZNIYAHOKXARKJS-PKTZIBPZSA-N 0 0 467.658 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458217656 1067005460 /nfs/dbraw/zinc/00/54/60/1067005460.db2.gz JIOKETOIXIFENK-IRXDYDNUSA-N 0 0 452.477 4.913 20 0 JJADRN CCC[C@@H](C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(Cl)cc1 ZINC001449377951 1067005466 /nfs/dbraw/zinc/00/54/66/1067005466.db2.gz QMCVWBTYZDMVFV-PXDATVDWSA-N 0 0 453.970 4.765 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449377987 1067005791 /nfs/dbraw/zinc/00/57/91/1067005791.db2.gz WLBIBZRKNPDVBW-QJWNTBNXSA-N 0 0 456.505 4.789 20 0 JJADRN COc1nsc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1Br ZINC001449391507 1067005954 /nfs/dbraw/zinc/00/59/54/1067005954.db2.gz QNFCROLPNRETKM-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001449393557 1067006072 /nfs/dbraw/zinc/00/60/72/1067006072.db2.gz RHGTWVDCKASZBJ-IEBWSBKVSA-N 0 0 450.913 4.904 20 0 JJADRN CC[C@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001545740816 1067006162 /nfs/dbraw/zinc/00/61/62/1067006162.db2.gz DTDYLOVTZUVCRY-URXFXBBRSA-N 0 0 457.022 4.672 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(Br)c1 ZINC001458219501 1067006195 /nfs/dbraw/zinc/00/61/95/1067006195.db2.gz GUENPHCGDYIGJP-CHWSQXEVSA-N 0 0 452.732 4.768 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545740772 1067006252 /nfs/dbraw/zinc/00/62/52/1067006252.db2.gz CZOSUVYBANPFIO-GPUOULLFSA-N 0 0 481.685 4.862 20 0 JJADRN CC[C@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001545740817 1067006261 /nfs/dbraw/zinc/00/62/61/1067006261.db2.gz DTDYLOVTZUVCRY-XUZZJYLKSA-N 0 0 457.022 4.672 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545740915 1067006618 /nfs/dbraw/zinc/00/66/18/1067006618.db2.gz GLDRKLJMZWZSLY-LGPLSSKUSA-N 0 0 481.685 4.718 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)c2nnn(-c3ccccc3Cl)c2C)c(Br)c1 ZINC001458221687 1067006755 /nfs/dbraw/zinc/00/67/55/1067006755.db2.gz LNLWBWOIXNCMGF-GFCCVEGCSA-N 0 0 450.720 4.918 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC001458222827 1067006859 /nfs/dbraw/zinc/00/68/59/1067006859.db2.gz LMZJDDKBTHSCPC-SFHVURJKSA-N 0 0 458.360 4.553 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncc(OC)s3)ccc2C)cc1 ZINC001449403946 1067006940 /nfs/dbraw/zinc/00/69/40/1067006940.db2.gz XDYCOKYEGORPSP-UHFFFAOYSA-N 0 0 459.593 4.856 20 0 JJADRN CC[C@H](c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545740947 1067006946 /nfs/dbraw/zinc/00/69/46/1067006946.db2.gz GZSHELACOSKQMO-MJGOQNOKSA-N 0 0 471.518 4.940 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3ccccc3N[C@@H](C)c3ccccc3)CC2=O)c1 ZINC001449404462 1067007090 /nfs/dbraw/zinc/00/70/90/1067007090.db2.gz GDAGSIWRKWBLKL-ICSRJNTNSA-N 0 0 459.546 4.869 20 0 JJADRN CON(CC1CCOCC1)C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001449404119 1067007176 /nfs/dbraw/zinc/00/71/76/1067007176.db2.gz DIYPVCKZHSTFEP-HXUWFJFHSA-N 0 0 452.320 4.525 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001458226326 1067007373 /nfs/dbraw/zinc/00/73/73/1067007373.db2.gz DPMXCYNZZWZPFX-KRWDZBQOSA-N 0 0 455.605 4.549 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc4c(c3)N(CC(F)F)CCS4)C2=O)cc1 ZINC001449404625 1067007483 /nfs/dbraw/zinc/00/74/83/1067007483.db2.gz SBTPTJMYGDPXGT-IBGZPJMESA-N 0 0 459.562 4.979 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCCOC)c1ccccc1 ZINC001545741249 1067007433 /nfs/dbraw/zinc/00/74/33/1067007433.db2.gz MSZSROFGKKECIL-JOCHJYFZSA-N 0 0 471.646 4.740 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](COC)C2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545741345 1067007464 /nfs/dbraw/zinc/00/74/64/1067007464.db2.gz OSTMSMQHKFQWIY-PZJWPPBQSA-N 0 0 489.542 4.677 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001545741390 1067007767 /nfs/dbraw/zinc/00/77/67/1067007767.db2.gz PHYQIMBONYPOQK-JTSKRJEESA-N 0 0 453.414 4.507 20 0 JJADRN Cc1cccc(-n2cc(C(=O)Nc3nc(Cc4ccccc4Br)cs3)nn2)c1 ZINC001458227291 1067007869 /nfs/dbraw/zinc/00/78/69/1067007869.db2.gz KZTGHMFQGCGOPE-UHFFFAOYSA-N 0 0 454.353 4.638 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC001449406525 1067007779 /nfs/dbraw/zinc/00/77/79/1067007779.db2.gz JPSHWNPSZXNWBM-UHOSZYNNSA-N 0 0 456.505 4.593 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2cc(F)ccc2O)c1 ZINC001449406845 1067007886 /nfs/dbraw/zinc/00/78/86/1067007886.db2.gz DPQOYFDTUVNSSM-UHFFFAOYSA-N 0 0 456.539 4.708 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(C)=O)CC2)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545741404 1067007806 /nfs/dbraw/zinc/00/78/06/1067007806.db2.gz PRMTWGVYISPWPZ-QFIPXVFZSA-N 0 0 457.688 4.847 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc4cccc(Cl)c4n3)CC2=O)ccc1Br ZINC001458230716 1067008176 /nfs/dbraw/zinc/00/81/76/1067008176.db2.gz LUERLYTXJWZLLU-AWEZNQCLSA-N 0 0 458.743 4.951 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC=CO1)c1ccccc1 ZINC001545741779 1067008612 /nfs/dbraw/zinc/00/86/12/1067008612.db2.gz WOEJKLZTWYJDOZ-DNVJHFABSA-N 0 0 481.641 4.958 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545742919 1067009377 /nfs/dbraw/zinc/00/93/77/1067009377.db2.gz AHWIAGWDQGGBTO-QFIPXVFZSA-N 0 0 469.674 4.766 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1)[C@H](C)O ZINC001449420901 1067009308 /nfs/dbraw/zinc/00/93/08/1067009308.db2.gz ANKGYFDUWRXYTK-HFJWLAOPSA-N 0 0 458.558 4.615 20 0 JJADRN CCc1nc(-c2ccc(C(=O)NCc3ccc(Oc4cc(OC)cc(OC)c4)cc3)cc2)n[nH]1 ZINC001449431076 1067009570 /nfs/dbraw/zinc/00/95/70/1067009570.db2.gz XHGNLIPKYUZKII-UHFFFAOYSA-N 0 0 458.518 4.774 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](OCCOC)C2)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545743242 1067009642 /nfs/dbraw/zinc/00/96/42/1067009642.db2.gz GWAVFDKAQKZJBN-LEWJYISDSA-N 0 0 483.682 4.864 20 0 JJADRN CC[C@H](c1nnc(N2CCC3(C2)CCOCC3)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743334 1067009757 /nfs/dbraw/zinc/00/97/57/1067009757.db2.gz HYIYJOORNYLZJG-GMAHTHKFSA-N 0 0 497.684 4.988 20 0 JJADRN CC[C@@H](c1nnc(N2CCC3(C2)CCOCC3)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743332 1067009781 /nfs/dbraw/zinc/00/97/81/1067009781.db2.gz HYIYJOORNYLZJG-FYYLOGMGSA-N 0 0 497.684 4.988 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OC(C)C)CC2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545743121 1067009793 /nfs/dbraw/zinc/00/97/93/1067009793.db2.gz DXHAOLSSAVGXPY-QFIPXVFZSA-N 0 0 467.589 4.827 20 0 JJADRN CC[C@H](c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1(CC)CCCC1)c1ccccc1 ZINC001545743413 1067010052 /nfs/dbraw/zinc/01/00/52/1067010052.db2.gz KDCCVOOWYOZKJF-QFIPXVFZSA-N 0 0 458.672 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC(C)C)CC2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545743730 1067010174 /nfs/dbraw/zinc/01/01/74/1067010174.db2.gz PZWJZTKTAHKCKG-JOCHJYFZSA-N 0 0 452.603 4.538 20 0 JJADRN Cc1cc(CNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)cc(NC(=O)OC(C)(C)C)c1 ZINC001449465968 1067010564 /nfs/dbraw/zinc/01/05/64/1067010564.db2.gz IILGUEBCGLNXGD-LJQANCHMSA-N 0 0 452.473 4.581 20 0 JJADRN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)c1 ZINC001449477132 1067010825 /nfs/dbraw/zinc/01/08/25/1067010825.db2.gz WBWDBXZIHQYOBP-UHFFFAOYSA-N 0 0 459.346 4.806 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001545744129 1067010950 /nfs/dbraw/zinc/01/09/50/1067010950.db2.gz WWFRAWIDPZIVQZ-YIXXDRMTSA-N 0 0 463.626 4.732 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458245907 1067011161 /nfs/dbraw/zinc/01/11/61/1067011161.db2.gz SGGDFIJRYFVSFL-UHFFFAOYSA-N 0 0 452.292 4.648 20 0 JJADRN C[C@@](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)(c1ccc(F)cc1)C(F)(F)F ZINC001458245899 1067011194 /nfs/dbraw/zinc/01/11/94/1067011194.db2.gz KPGJZGPSNHTAER-SCLBCKFNSA-N 0 0 459.237 4.608 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3cccc4c(=O)[nH]ccc34)cc2Br)no1 ZINC001449490661 1067011661 /nfs/dbraw/zinc/01/16/61/1067011661.db2.gz PDSPRTJCRFVJTF-UHFFFAOYSA-N 0 0 454.280 4.831 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001449481226 1067011706 /nfs/dbraw/zinc/01/17/06/1067011706.db2.gz ARULLNMPTKFLDZ-GOSISDBHSA-N 0 0 452.776 4.773 20 0 JJADRN O=C(NC[C@H]1CCCCS1(=O)=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001458248097 1067011865 /nfs/dbraw/zinc/01/18/65/1067011865.db2.gz VTZWMHRAYPYUPB-LJQANCHMSA-N 0 0 458.432 4.983 20 0 JJADRN COc1cc(/C=C(/C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)c2ccccc2)ccc1O ZINC001449504458 1067012060 /nfs/dbraw/zinc/01/20/60/1067012060.db2.gz DIUIZOSSFNRXKY-NEIHUHTASA-N 0 0 457.530 4.792 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545745525 1067012097 /nfs/dbraw/zinc/01/20/97/1067012097.db2.gz CCGBXAIZABQMRM-FCHUYYIVSA-N 0 0 460.688 4.906 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc2c(Br)cnn2c1 ZINC001458250797 1067012284 /nfs/dbraw/zinc/01/22/84/1067012284.db2.gz DTZSCVPJOYBHIQ-UHFFFAOYSA-N 0 0 450.218 4.554 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCO[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545745650 1067012427 /nfs/dbraw/zinc/01/24/27/1067012427.db2.gz DUDUVVAOEMDJMB-LUGTWXOSSA-N 0 0 467.658 4.507 20 0 JJADRN CC[C@@H](Cn1c(N(C)C2CCC3(CC2)OCCO3)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546015001 1067012727 /nfs/dbraw/zinc/01/27/27/1067012727.db2.gz RZJFHURMGBRGBI-IBGZPJMESA-N 0 0 460.594 4.694 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001546015075 1067012899 /nfs/dbraw/zinc/01/28/99/1067012899.db2.gz TZNFQGHOHZXPJI-FQEVSTJZSA-N 0 0 486.711 4.704 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC1(SC)CC1)c1ccccc1 ZINC001545745903 1067013171 /nfs/dbraw/zinc/01/31/71/1067013171.db2.gz IBVPMLFBUWOGNF-RBBKRZOGSA-N 0 0 469.699 4.704 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccc(F)cc1)OC ZINC001546015187 1067013496 /nfs/dbraw/zinc/01/34/96/1067013496.db2.gz VSPABYSBMQZQOS-HLAWJBBLSA-N 0 0 475.609 4.639 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](OC)C1CC1)c1ccccc1 ZINC001545745951 1067013561 /nfs/dbraw/zinc/01/35/61/1067013561.db2.gz INUZSZKNUHTRSH-AGILITTLSA-N 0 0 497.684 4.986 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001449540164 1067014087 /nfs/dbraw/zinc/01/40/87/1067014087.db2.gz IWJFROOBLKLROU-HXUWFJFHSA-N 0 0 459.468 4.639 20 0 JJADRN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(Br)c(Cl)c1F ZINC001449537140 1067014097 /nfs/dbraw/zinc/01/40/97/1067014097.db2.gz ACTYYNDVYWQMBI-LBPRGKRZSA-N 0 0 456.617 4.604 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@](C)(CO)c3cc(Cl)cc(Cl)c3)c2)cs1 ZINC001449538867 1067014129 /nfs/dbraw/zinc/01/41/29/1067014129.db2.gz YNBKCNLNSNICOB-NRFANRHFSA-N 0 0 451.375 4.975 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001546015268 1067014147 /nfs/dbraw/zinc/01/41/47/1067014147.db2.gz XEJOYYJFPLDKMA-FGZHOGPDSA-N 0 0 468.671 4.959 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1 ZINC001545746343 1067014169 /nfs/dbraw/zinc/01/41/69/1067014169.db2.gz NLUAPXMBXQQWFK-BXXSPATCSA-N 0 0 481.685 4.752 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458256714 1067014209 /nfs/dbraw/zinc/01/42/09/1067014209.db2.gz HZRXFFWSUBSFOY-INIZCTEOSA-N 0 0 457.405 4.896 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015387 1067014345 /nfs/dbraw/zinc/01/43/45/1067014345.db2.gz ZCLNVCAKOJDTLI-KSYXXAMZSA-N 0 0 460.594 4.550 20 0 JJADRN CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC001449561364 1067014599 /nfs/dbraw/zinc/01/45/99/1067014599.db2.gz BJGDFCJJPAUURD-UHFFFAOYSA-N 0 0 452.521 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)c2ccccc21 ZINC001449563200 1067014855 /nfs/dbraw/zinc/01/48/55/1067014855.db2.gz MKKPEGWASWBEGV-DNVFCKCGSA-N 0 0 451.567 4.737 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@@H]1CCSC1(C)C)c1ccccc1 ZINC001545746599 1067014996 /nfs/dbraw/zinc/01/49/96/1067014996.db2.gz RKLVSMGDXRBVIG-ACIOBRDBSA-N 0 0 469.699 4.704 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1 ZINC001449572430 1067015191 /nfs/dbraw/zinc/01/51/91/1067015191.db2.gz SDRMCAWOAKIDBX-VQTJNVASSA-N 0 0 471.623 4.861 20 0 JJADRN COCC[C@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1cccc(C(F)(F)F)c1 ZINC001449572546 1067015202 /nfs/dbraw/zinc/01/52/02/1067015202.db2.gz CSZKAOMTZZTISH-HNNXBMFYSA-N 0 0 456.262 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)CCCn2cnc3ccccc32)CC1 ZINC001449572573 1067015225 /nfs/dbraw/zinc/01/52/25/1067015225.db2.gz DBKNFYMQTQOTBK-HSZRJFAPSA-N 0 0 454.615 4.701 20 0 JJADRN C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H](c2ccsc2)O1 ZINC001458259789 1067015286 /nfs/dbraw/zinc/01/52/86/1067015286.db2.gz JFBDPMFKLMHNFM-RNCFNFMXSA-N 0 0 454.255 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC001458259548 1067015336 /nfs/dbraw/zinc/01/53/36/1067015336.db2.gz RNEWCBCXXZAIHG-UHFFFAOYSA-N 0 0 459.812 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)C1 ZINC001449577147 1067015488 /nfs/dbraw/zinc/01/54/88/1067015488.db2.gz DZXVQQSHIDGJAD-GNKDASKISA-N 0 0 491.673 4.564 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001546015533 1067015537 /nfs/dbraw/zinc/01/55/37/1067015537.db2.gz CRXJBYWGFOUHTI-LJAQVGFWSA-N 0 0 457.570 4.911 20 0 JJADRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCN(c2ccccc2F)C1 ZINC001458263195 1067015752 /nfs/dbraw/zinc/01/57/52/1067015752.db2.gz YRFSOLVTHQFKKI-KRWDZBQOSA-N 0 0 450.385 4.740 20 0 JJADRN O=C(CCOc1ccccc1Br)Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC001449587834 1067016061 /nfs/dbraw/zinc/01/60/61/1067016061.db2.gz AFCFDQFGTGPPGP-UHFFFAOYSA-N 0 0 451.386 4.599 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc2s1 ZINC001449589107 1067016266 /nfs/dbraw/zinc/01/62/66/1067016266.db2.gz SMFHQSJBGMUTCF-UHFFFAOYSA-N 0 0 457.602 4.743 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CCCOC(C)C)c1ccccc1 ZINC001545747029 1067016558 /nfs/dbraw/zinc/01/65/58/1067016558.db2.gz YPTIIQKPTWSCQG-FCHUYYIVSA-N 0 0 452.603 4.711 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(C)on1)c1ccccc1 ZINC001545747096 1067016636 /nfs/dbraw/zinc/01/66/36/1067016636.db2.gz ZCZQOIOCNWXXFS-REWPJTCUSA-N 0 0 478.641 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449597986 1067016982 /nfs/dbraw/zinc/01/69/82/1067016982.db2.gz CHFWSNBWOKRYIW-QHCPKHFHSA-N 0 0 458.549 4.882 20 0 JJADRN CC1(C)C[C@@H](O)CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001449596614 1067017076 /nfs/dbraw/zinc/01/70/76/1067017076.db2.gz PBPFCIHZEYFWDQ-HNNXBMFYSA-N 0 0 453.764 4.913 20 0 JJADRN CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1(C)C ZINC001458270729 1067017002 /nfs/dbraw/zinc/01/70/02/1067017002.db2.gz ATJCHINFFRRMFN-SKOKVVANSA-N 0 0 454.368 4.849 20 0 JJADRN O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449603567 1067017289 /nfs/dbraw/zinc/01/72/89/1067017289.db2.gz MCFXJYVZCMDWGI-UHFFFAOYSA-N 0 0 453.411 4.677 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545748677 1067017600 /nfs/dbraw/zinc/01/76/00/1067017600.db2.gz DFLRHOFIHWDVLQ-QJMIMBQPSA-N 0 0 481.685 4.909 20 0 JJADRN CCO[C@H](C(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC001458272261 1067017595 /nfs/dbraw/zinc/01/75/95/1067017595.db2.gz MBSWMZCPXVGIKD-VXKWHMMOSA-N 0 0 451.485 4.751 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545748583 1067017759 /nfs/dbraw/zinc/01/77/59/1067017759.db2.gz CEXDFVLJOBBUEB-CNNODRBYSA-N 0 0 469.655 4.895 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CCC(C)C)c1ccccc1 ZINC001545748514 1067017776 /nfs/dbraw/zinc/01/77/76/1067017776.db2.gz BMEVCEXIBGSZAQ-DNQXCXABSA-N 0 0 487.714 4.697 20 0 JJADRN CC(C)(C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1 ZINC001449611536 1067018044 /nfs/dbraw/zinc/01/80/44/1067018044.db2.gz VGYYRJJLLHHQHM-KRWDZBQOSA-N 0 0 458.371 4.986 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CCC(=O)N(CCC)CCC ZINC001458273464 1067018746 /nfs/dbraw/zinc/01/87/46/1067018746.db2.gz SPSKBKOHURLCJV-NRFANRHFSA-N 0 0 455.565 4.952 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545748953 1067018971 /nfs/dbraw/zinc/01/89/71/1067018971.db2.gz HPOZPNAJUFCCEW-LEWJYISDSA-N 0 0 451.640 4.995 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCc1nccs1)c1ccccc1 ZINC001545749291 1067019204 /nfs/dbraw/zinc/01/92/04/1067019204.db2.gz MOCYQNJWJVIJRU-LEWJYISDSA-N 0 0 480.682 4.650 20 0 JJADRN O=C(N[C@H](C(=O)NCCOc1ccc(Cl)c(F)c1)c1ccccc1)OCc1ccccc1 ZINC001449653746 1067019235 /nfs/dbraw/zinc/01/92/35/1067019235.db2.gz PARDMVJFPGFPPK-QFIPXVFZSA-N 0 0 456.901 4.642 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545749067 1067019275 /nfs/dbraw/zinc/01/92/75/1067019275.db2.gz JLOPGMPIRDULEM-VXKWHMMOSA-N 0 0 483.657 4.739 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545749349 1067019814 /nfs/dbraw/zinc/01/98/14/1067019814.db2.gz NAOJYEYUZWLVKR-VXKWHMMOSA-N 0 0 459.585 4.750 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ncc(Br)cc1Br ZINC001458278100 1067019630 /nfs/dbraw/zinc/01/96/30/1067019630.db2.gz RYWQMKNLAVUABT-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016248 1067019857 /nfs/dbraw/zinc/01/98/57/1067019857.db2.gz ACASLNHQSIXGQX-VQTJNVASSA-N 0 0 466.548 4.721 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001449679244 1067019872 /nfs/dbraw/zinc/01/98/72/1067019872.db2.gz LRRNJJVRBRWVDA-OAHLLOKOSA-N 0 0 455.889 4.678 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545749348 1067019856 /nfs/dbraw/zinc/01/98/56/1067019856.db2.gz NAOJYEYUZWLVKR-FGZHOGPDSA-N 0 0 459.585 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC001449684946 1067020450 /nfs/dbraw/zinc/02/04/50/1067020450.db2.gz BUSKMSDGUCUMKW-QZTJIDSGSA-N 0 0 458.990 4.635 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1[C@@H]1CCCOC1 ZINC001449692423 1067020873 /nfs/dbraw/zinc/02/08/73/1067020873.db2.gz IESVFNFDDYDQMN-FDFHNCONSA-N 0 0 459.631 4.566 20 0 JJADRN CCc1cccc2c(CC(=O)N[C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)c[nH]c21 ZINC001458283001 1067020774 /nfs/dbraw/zinc/02/07/74/1067020774.db2.gz AEPBPNRMYTVGOF-OAQYLSRUSA-N 0 0 457.496 4.599 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCc2ccccc2CC1 ZINC001449698011 1067021489 /nfs/dbraw/zinc/02/14/89/1067021489.db2.gz QQEVFSOCOJFJAN-UHFFFAOYSA-N 0 0 452.551 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)C2)C1 ZINC001449704466 1067021670 /nfs/dbraw/zinc/02/16/70/1067021670.db2.gz OPEXSMKREVXJNY-GOTSBHOMSA-N 0 0 456.627 4.830 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001458284016 1067021589 /nfs/dbraw/zinc/02/15/89/1067021589.db2.gz RBTACGNQEZQZBK-JKXTWKSPSA-N 0 0 453.457 4.634 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545750062 1067022053 /nfs/dbraw/zinc/02/20/53/1067022053.db2.gz XPINMJVVEHXOSC-WOJBJXKFSA-N 0 0 454.644 4.812 20 0 JJADRN Cc1c(Br)scc1C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449708790 1067022113 /nfs/dbraw/zinc/02/21/13/1067022113.db2.gz QYHWOYSWQCWBBK-HUUCEWRRSA-N 0 0 457.434 4.928 20 0 JJADRN Clc1cc(NC2CCN(Cc3ccc(Br)cc3)CC2)nc([C@@H]2CCCO2)n1 ZINC001458289930 1067022335 /nfs/dbraw/zinc/02/23/35/1067022335.db2.gz IBVZRKSGYQGMRI-KRWDZBQOSA-N 0 0 451.796 4.821 20 0 JJADRN COc1cc(Nc2ncnc(C(F)(F)F)c2Br)cc(OC)c1Br ZINC001458289019 1067022508 /nfs/dbraw/zinc/02/25/08/1067022508.db2.gz ZODLQMDYTVODOD-UHFFFAOYSA-N 0 0 457.044 4.781 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545750170 1067022434 /nfs/dbraw/zinc/02/24/34/1067022434.db2.gz YUFIBAGDSRNCBS-KSEOMHKRSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2CSC)n1CCOc1ncccc1F)c1ccccc1 ZINC001545750221 1067022567 /nfs/dbraw/zinc/02/25/67/1067022567.db2.gz ZONSBHDOLOACMM-PMACEKPBSA-N 0 0 455.603 4.765 20 0 JJADRN COc1cc([C@H](NC(=O)c2ccc(Br)s2)C(F)(F)F)cc(OC)c1OC ZINC001458291895 1067022770 /nfs/dbraw/zinc/02/27/70/1067022770.db2.gz OJKZFSMFVRSZKP-AWEZNQCLSA-N 0 0 454.264 4.570 20 0 JJADRN CC[C@@H](c1nnc(N2CCCOCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751209 1067022932 /nfs/dbraw/zinc/02/29/32/1067022932.db2.gz AWJDZSDXDLENBV-IFMALSPDSA-N 0 0 471.646 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3ncsc3Nc3ccccc3)C2)C1 ZINC001449715342 1067022834 /nfs/dbraw/zinc/02/28/34/1067022834.db2.gz VTGJPCZBPVHQEN-ROUUACIJSA-N 0 0 456.612 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)C1 ZINC001449717054 1067022903 /nfs/dbraw/zinc/02/29/03/1067022903.db2.gz YHSWGNMENLBIGL-OALUTQOASA-N 0 0 451.007 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)C1 ZINC001449717078 1067022985 /nfs/dbraw/zinc/02/29/85/1067022985.db2.gz YHSWGNMENLBIGL-RTBURBONSA-N 0 0 451.007 4.995 20 0 JJADRN COCCCOCCN(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001458294169 1067023250 /nfs/dbraw/zinc/02/32/50/1067023250.db2.gz MLBLKGRITHMUHT-UHFFFAOYSA-N 0 0 457.368 4.789 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cnn1-c1ccc(C)cc1 ZINC001449717959 1067023242 /nfs/dbraw/zinc/02/32/42/1067023242.db2.gz ZUSQIINDLVLHMG-NHCUHLMSSA-N 0 0 452.599 4.598 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](COC)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545751327 1067023477 /nfs/dbraw/zinc/02/34/77/1067023477.db2.gz DFTNDMPURYSWAT-UPVQGACJSA-N 0 0 470.658 4.516 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545751544 1067024684 /nfs/dbraw/zinc/02/46/84/1067024684.db2.gz HORHXWQDPVKHHV-QFIPXVFZSA-N 0 0 494.709 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C)c1ccccc1 ZINC001545751670 1067024930 /nfs/dbraw/zinc/02/49/30/1067024930.db2.gz JPYUBQRZGZJEOI-UBFVSLLYSA-N 0 0 481.685 4.576 20 0 JJADRN COC[C@H](CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC001449742744 1067024933 /nfs/dbraw/zinc/02/49/33/1067024933.db2.gz LAORLHUTBKSXEY-UGKGYDQZSA-N 0 0 458.986 4.721 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC001449746144 1067025142 /nfs/dbraw/zinc/02/51/42/1067025142.db2.gz VKMUFZPBILTUOI-XOBRGWDASA-N 0 0 456.783 4.949 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(F)(F)F ZINC001458301223 1067025317 /nfs/dbraw/zinc/02/53/17/1067025317.db2.gz HOPOJDRWMBQIQB-LJQANCHMSA-N 0 0 451.832 4.905 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CCCC[C@H]1C(=O)NCC(F)F ZINC001449749699 1067025263 /nfs/dbraw/zinc/02/52/63/1067025263.db2.gz VIPHTYMWXVIOMJ-NRFANRHFSA-N 0 0 457.496 4.669 20 0 JJADRN Cn1ccnc1SCc1cccc(C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001449752709 1067025290 /nfs/dbraw/zinc/02/52/90/1067025290.db2.gz ZNTLUQSCXIGNAX-FQEVSTJZSA-N 0 0 458.628 4.622 20 0 JJADRN COc1ccc([C@H](C)OC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c(Br)c1 ZINC001458306549 1067025573 /nfs/dbraw/zinc/02/55/73/1067025573.db2.gz YBGSDNIGHVSJEI-HOTGVXAUSA-N 0 0 455.393 4.530 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1I ZINC001458304541 1067025590 /nfs/dbraw/zinc/02/55/90/1067025590.db2.gz BZVLZPHVTZQWQW-UHFFFAOYSA-N 0 0 459.331 4.587 20 0 JJADRN CCc1ccc2c(c1)[C@@H](Nc1cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c1Cl)CCO2 ZINC001458302664 1067025655 /nfs/dbraw/zinc/02/56/55/1067025655.db2.gz IHGQETPZDHUWDF-HNNXBMFYSA-N 0 0 450.848 4.798 20 0 JJADRN O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001449758947 1067025945 /nfs/dbraw/zinc/02/59/45/1067025945.db2.gz GKHYEWFZCOUUQP-LBPRGKRZSA-N 0 0 456.802 4.640 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)OCc3ccc4c(c3)CCCN4C)[nH]c(=O)c2c1C ZINC001458307372 1067025907 /nfs/dbraw/zinc/02/59/07/1067025907.db2.gz AUUAOKMXNBAFMS-HNNXBMFYSA-N 0 0 457.621 4.761 20 0 JJADRN Cc1c(CC(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)nnn1-c1ccc(C)cc1 ZINC001458307745 1067025940 /nfs/dbraw/zinc/02/59/40/1067025940.db2.gz FGTBGZRZQMCCEF-HXUWFJFHSA-N 0 0 454.578 4.682 20 0 JJADRN Brc1cc(Oc2ncnc(-c3ccccc3)n2)ccc1I ZINC001458307986 1067025957 /nfs/dbraw/zinc/02/59/57/1067025957.db2.gz UDBBYRKTIBNNMP-UHFFFAOYSA-N 0 0 454.065 4.698 20 0 JJADRN O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001449758935 1067026024 /nfs/dbraw/zinc/02/60/24/1067026024.db2.gz GKHYEWFZCOUUQP-GFCCVEGCSA-N 0 0 456.802 4.640 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC001458309089 1067026071 /nfs/dbraw/zinc/02/60/71/1067026071.db2.gz LTEULNIVABVIKY-BENRWUELSA-N 0 0 455.255 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1OCCC1(C)C)c1ccccc1 ZINC001545751925 1067026045 /nfs/dbraw/zinc/02/60/45/1067026045.db2.gz NOMFGBSUZDWQNN-RPWUZVMVSA-N 0 0 497.684 4.940 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H](CO)c1cccc(Br)c1 ZINC001546099217 1067026328 /nfs/dbraw/zinc/02/63/28/1067026328.db2.gz ZOXFQYCUYROEMZ-KRWDZBQOSA-N 0 0 451.773 4.618 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](CO)c1cccc(Br)c1 ZINC001546099218 1067026404 /nfs/dbraw/zinc/02/64/04/1067026404.db2.gz ZOXFQYCUYROEMZ-QGZVFWFLSA-N 0 0 451.773 4.618 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449763157 1067026509 /nfs/dbraw/zinc/02/65/09/1067026509.db2.gz YFQBXRHEQLIWOU-IUDNXUCKSA-N 0 0 450.004 4.883 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017204 1067026523 /nfs/dbraw/zinc/02/65/23/1067026523.db2.gz QDCLSMWIDGIWJU-MJGOQNOKSA-N 0 0 456.566 4.648 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545752128 1067026708 /nfs/dbraw/zinc/02/67/08/1067026708.db2.gz RGRLBRFTWDNSQU-KSEOMHKRSA-N 0 0 479.591 4.567 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](COC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545752137 1067026979 /nfs/dbraw/zinc/02/69/79/1067026979.db2.gz RIIBDVANCJDCQI-UKILVPOCSA-N 0 0 481.685 4.866 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545752176 1067027059 /nfs/dbraw/zinc/02/70/59/1067027059.db2.gz SDEZUFVDOLCPEJ-ZJSXRUAMSA-N 0 0 467.658 4.522 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001458313921 1067027288 /nfs/dbraw/zinc/02/72/88/1067027288.db2.gz DIMJSXGRHKDVGD-QHCPKHFHSA-N 0 0 456.583 4.675 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 ZINC001449776643 1067027404 /nfs/dbraw/zinc/02/74/04/1067027404.db2.gz RRROIUMILGKGLH-DSITVLBTSA-N 0 0 480.605 4.728 20 0 JJADRN COc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1Br ZINC001458314378 1067027554 /nfs/dbraw/zinc/02/75/54/1067027554.db2.gz HDEPTECZSYBMRL-UHFFFAOYSA-N 0 0 455.308 4.971 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 ZINC001449778383 1067027690 /nfs/dbraw/zinc/02/76/90/1067027690.db2.gz XKPSDQMNKIFRKG-QPPBQGQZSA-N 0 0 472.626 4.597 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C2=O)cc1 ZINC001449781399 1067027728 /nfs/dbraw/zinc/02/77/28/1067027728.db2.gz GYTRJYCINYPZCO-UYAOXDASSA-N 0 0 459.359 4.868 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)s1 ZINC001449781172 1067027751 /nfs/dbraw/zinc/02/77/51/1067027751.db2.gz GNWIWTGDUNGYRO-LBPRGKRZSA-N 0 0 456.337 4.809 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001545752308 1067027770 /nfs/dbraw/zinc/02/77/70/1067027770.db2.gz UXFQNPWERIBDJX-UNMCSNQZSA-N 0 0 473.612 4.950 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC001458314379 1067027805 /nfs/dbraw/zinc/02/78/05/1067027805.db2.gz CRLYKBSAZNOCBJ-KSFYIVLOSA-N 0 0 458.345 4.555 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC001458314386 1067027887 /nfs/dbraw/zinc/02/78/87/1067027887.db2.gz CRLYKBSAZNOCBJ-OPAMFIHVSA-N 0 0 458.345 4.555 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC2(CCCCC2)C1)OC ZINC001546016830 1067028045 /nfs/dbraw/zinc/02/80/45/1067028045.db2.gz KGRZPSQBQVAKTB-HSALFYBXSA-N 0 0 493.718 4.730 20 0 JJADRN COc1cc(NC(=O)c2coc(/C=C\C(=O)OC(C)(C)C)c2)cc(OC)c1Br ZINC001458315836 1067028169 /nfs/dbraw/zinc/02/81/69/1067028169.db2.gz NLKCYUIYSGGPAC-SREVYHEPSA-N 0 0 452.301 4.667 20 0 JJADRN CON(C(=O)c1cc(C)c(Cl)cc1I)[C@H](C)c1csc(C)n1 ZINC001449786440 1067028235 /nfs/dbraw/zinc/02/82/35/1067028235.db2.gz HPHMAVLRFYKRQZ-SECBINFHSA-N 0 0 450.729 4.783 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)cc1OC ZINC001458315468 1067028312 /nfs/dbraw/zinc/02/83/12/1067028312.db2.gz FOBGMDQGMQDQGO-UHFFFAOYSA-N 0 0 459.340 4.903 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C ZINC001449788844 1067028368 /nfs/dbraw/zinc/02/83/68/1067028368.db2.gz XAPRBWICUQLZGW-ROUUACIJSA-N 0 0 452.636 4.676 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)OC(C)(C)C ZINC001449790058 1067028525 /nfs/dbraw/zinc/02/85/25/1067028525.db2.gz YFPBZPALNNFDLV-WMLDXEAASA-N 0 0 455.020 4.796 20 0 JJADRN O=C(c1cc(Cl)cc(Br)c1F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001458317497 1067028611 /nfs/dbraw/zinc/02/86/11/1067028611.db2.gz VLZQAWQIYNKGCR-UHFFFAOYSA-N 0 0 454.649 4.934 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC001545752526 1067028647 /nfs/dbraw/zinc/02/86/47/1067028647.db2.gz YRRMKIHUSBKBKD-QLBJFCOMSA-N 0 0 453.675 4.803 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC001545752523 1067028688 /nfs/dbraw/zinc/02/86/88/1067028688.db2.gz YRRMKIHUSBKBKD-CAOCKLPOSA-N 0 0 453.675 4.803 20 0 JJADRN Cc1nc(Br)sc1C(=O)Nc1c(F)cc(C)cc1I ZINC001458319728 1067029136 /nfs/dbraw/zinc/02/91/36/1067029136.db2.gz KEFOOBQJMARQAW-UHFFFAOYSA-N 0 0 455.090 4.518 20 0 JJADRN CON(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)c1csc(C)n1 ZINC001449796146 1067029459 /nfs/dbraw/zinc/02/94/59/1067029459.db2.gz PASQQXRYXRLUGU-WFASDCNBSA-N 0 0 456.395 4.762 20 0 JJADRN CON(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C)c1csc(C)n1 ZINC001449799094 1067029483 /nfs/dbraw/zinc/02/94/83/1067029483.db2.gz SRUVTMBEAXLBDV-MOFZMDFASA-N 0 0 455.502 4.531 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545754062 1067029981 /nfs/dbraw/zinc/02/99/81/1067029981.db2.gz DYRQRBIYGZJHGZ-QPPBQGQZSA-N 0 0 490.652 4.903 20 0 JJADRN COc1ccc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1Br ZINC001458321986 1067030146 /nfs/dbraw/zinc/03/01/46/1067030146.db2.gz GNNOJCIICOHXKE-PIGZYNQJSA-N 0 0 457.162 4.726 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1(CC)CC1)c1ccccc1 ZINC001545754222 1067030432 /nfs/dbraw/zinc/03/04/32/1067030432.db2.gz IMQLQOFSYNPDOZ-NRFANRHFSA-N 0 0 452.647 4.640 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545754212 1067030467 /nfs/dbraw/zinc/03/04/67/1067030467.db2.gz IHUBMHLPQZTCMC-OMRWSRCMSA-N 0 0 495.712 4.846 20 0 JJADRN O=C(CCOC1CCOCC1)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001458323695 1067030473 /nfs/dbraw/zinc/03/04/73/1067030473.db2.gz XASPSZQSUGOHHG-OAQYLSRUSA-N 0 0 455.448 4.667 20 0 JJADRN COCCn1ccc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(F)cc4)CCCCC3)cc21 ZINC001458322814 1067030593 /nfs/dbraw/zinc/03/05/93/1067030593.db2.gz LCIOLPLFUXXFFF-UHFFFAOYSA-N 0 0 458.555 4.542 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c(F)cc(C)cc1I ZINC001458323109 1067030630 /nfs/dbraw/zinc/03/06/30/1067030630.db2.gz UDUFYMOPTNXHFG-UHFFFAOYSA-N 0 0 457.331 4.779 20 0 JJADRN Cc1cc(Br)cc(Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)n1 ZINC001458324422 1067030905 /nfs/dbraw/zinc/03/09/05/1067030905.db2.gz GDFWXNRUKLILNW-UHFFFAOYSA-N 0 0 452.308 4.571 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)Cc1cn3cc(Cl)cc(Cl)c3n1)CC2 ZINC001458325600 1067031344 /nfs/dbraw/zinc/03/13/44/1067031344.db2.gz GSVZRDNKRODCRP-UHFFFAOYSA-N 0 0 453.167 4.839 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC2 ZINC001458327223 1067031668 /nfs/dbraw/zinc/03/16/68/1067031668.db2.gz RNVKYCSAKDNFST-KXBFYZLASA-N 0 0 453.421 4.828 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCOC(C)C)c1ccccc1 ZINC001545754783 1067031827 /nfs/dbraw/zinc/03/18/27/1067031827.db2.gz UYZSPALATYIYDW-RBBKRZOGSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001458326667 1067031813 /nfs/dbraw/zinc/03/18/13/1067031813.db2.gz GYNPBEKFFRIBIE-INIZCTEOSA-N 0 0 452.356 4.741 20 0 JJADRN CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001449847820 1067031890 /nfs/dbraw/zinc/03/18/90/1067031890.db2.gz CPNVIKFGSZRJLG-JXFKEZNVSA-N 0 0 451.350 4.803 20 0 JJADRN CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001449847835 1067031992 /nfs/dbraw/zinc/03/19/92/1067031992.db2.gz CPNVIKFGSZRJLG-UZLBHIALSA-N 0 0 451.350 4.803 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)nn1-c1ccccc1 ZINC001449845284 1067032042 /nfs/dbraw/zinc/03/20/42/1067032042.db2.gz XRFTYKXLLFOGQQ-CQSZACIVSA-N 0 0 457.456 4.745 20 0 JJADRN Cc1ncsc1CCNC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001449853477 1067032308 /nfs/dbraw/zinc/03/23/08/1067032308.db2.gz YDFGSHWXZUJOOO-UHFFFAOYSA-N 0 0 453.365 4.797 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCc1csc(C)n1)c1ccccc1 ZINC001545756083 1067032379 /nfs/dbraw/zinc/03/23/79/1067032379.db2.gz AMXNEEGIAHVJLB-UTKZUKDTSA-N 0 0 492.615 4.900 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)C(=O)OCc1ccccc1 ZINC001458330269 1067032507 /nfs/dbraw/zinc/03/25/07/1067032507.db2.gz ICEAWMFWCYAMSY-HXUWFJFHSA-N 0 0 459.468 4.779 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001458331594 1067032608 /nfs/dbraw/zinc/03/26/08/1067032608.db2.gz BCWDLAQHEDPAMH-UHFFFAOYSA-N 0 0 456.942 4.801 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@@H](C)Oc2cccc3ccccc32)CC1 ZINC001449856260 1067032639 /nfs/dbraw/zinc/03/26/39/1067032639.db2.gz UCMDRRFRBSOGOQ-HXUWFJFHSA-N 0 0 459.542 4.662 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017684 1067032675 /nfs/dbraw/zinc/03/26/75/1067032675.db2.gz ZTQGPUHFBZVECY-PMACEKPBSA-N 0 0 499.656 4.992 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017685 1067032804 /nfs/dbraw/zinc/03/28/04/1067032804.db2.gz ZTQGPUHFBZVECY-UXHICEINSA-N 0 0 499.656 4.992 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545756118 1067032958 /nfs/dbraw/zinc/03/29/58/1067032958.db2.gz AYTLJXVDMZRLFH-WIYYLYMNSA-N 0 0 480.682 4.679 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001458332241 1067033067 /nfs/dbraw/zinc/03/30/67/1067033067.db2.gz PVZSFZOYVAMHFM-MRXNPFEDSA-N 0 0 454.552 4.571 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017709 1067033262 /nfs/dbraw/zinc/03/32/62/1067033262.db2.gz ZXKJTOFAYSNKIP-FPOVZHCZSA-N 0 0 471.646 4.927 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545756226 1067033534 /nfs/dbraw/zinc/03/35/34/1067033534.db2.gz CYNGBZJRFHOMTL-SMIHKQSGSA-N 0 0 483.657 4.550 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)C2=O)cc1 ZINC001449876454 1067033557 /nfs/dbraw/zinc/03/35/57/1067033557.db2.gz HAKRPJDPSUOAAG-DENIHFKCSA-N 0 0 455.396 4.942 20 0 JJADRN CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC)c1cccc(Cl)c1 ZINC001546017756 1067033824 /nfs/dbraw/zinc/03/38/24/1067033824.db2.gz BTMMTHJRXBSCHS-LJQANCHMSA-N 0 0 452.020 4.935 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545756611 1067033872 /nfs/dbraw/zinc/03/38/72/1067033872.db2.gz KUSIWMHAQOPRAH-YWQGAKJTSA-N 0 0 481.607 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)C1 ZINC001449887094 1067034052 /nfs/dbraw/zinc/03/40/52/1067034052.db2.gz GATWMZHKNRKPQH-MCMMXHMISA-N 0 0 456.555 4.677 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545756400 1067034110 /nfs/dbraw/zinc/03/41/10/1067034110.db2.gz HFKQIUPBTKCBCT-WRALFONMSA-N 0 0 497.684 4.938 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2ccnc2C)CCO1 ZINC001546099553 1067034211 /nfs/dbraw/zinc/03/42/11/1067034211.db2.gz HMYILUXYRUOXIJ-MHZLTWQESA-N 0 0 480.657 4.889 20 0 JJADRN CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC12CCCCC2 ZINC001449891396 1067034538 /nfs/dbraw/zinc/03/45/38/1067034538.db2.gz IONDTRNULATYAZ-UHFFFAOYSA-N 0 0 455.396 4.771 20 0 JJADRN Cc1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1cccc(F)c1 ZINC001458340184 1067035051 /nfs/dbraw/zinc/03/50/51/1067035051.db2.gz KMSYNJOQAKINOG-HXUWFJFHSA-N 0 0 456.493 4.706 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC001546018063 1067035113 /nfs/dbraw/zinc/03/51/13/1067035113.db2.gz OAOPYTYNUNQWFN-UHFFFAOYSA-N 0 0 451.592 4.607 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545756906 1067035227 /nfs/dbraw/zinc/03/52/27/1067035227.db2.gz PXOMGFSUBCNWBO-QFIPXVFZSA-N 0 0 477.657 4.627 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC001458341100 1067035384 /nfs/dbraw/zinc/03/53/84/1067035384.db2.gz AUUGBHQVQIWRIA-IBGZPJMESA-N 0 0 458.345 4.811 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC001458341111 1067035526 /nfs/dbraw/zinc/03/55/26/1067035526.db2.gz AUUGBHQVQIWRIA-LJQANCHMSA-N 0 0 458.345 4.811 20 0 JJADRN COc1cc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc(OC)c1C(C)C ZINC001458341783 1067035702 /nfs/dbraw/zinc/03/57/02/1067035702.db2.gz OPFDWLXXCDKXBL-HMMYKYKNSA-N 0 0 459.506 4.711 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H](C)SC)c1ccccc1 ZINC001545757449 1067035742 /nfs/dbraw/zinc/03/57/42/1067035742.db2.gz ZHMOXQSEKYDNEE-RBBKRZOGSA-N 0 0 479.698 4.812 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545757448 1067035926 /nfs/dbraw/zinc/03/59/26/1067035926.db2.gz ZHMOXQSEKYDNEE-IRLDBZIGSA-N 0 0 479.698 4.812 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757322 1067035983 /nfs/dbraw/zinc/03/59/83/1067035983.db2.gz XIBXTZLQRZAUOJ-XZOQPEGZSA-N 0 0 481.714 4.658 20 0 JJADRN CC(C)c1[nH]nc(C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c1Br ZINC001449904374 1067036311 /nfs/dbraw/zinc/03/63/11/1067036311.db2.gz VMMJTXYJVRNYIC-UHFFFAOYSA-N 0 0 451.365 4.915 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001458344153 1067036585 /nfs/dbraw/zinc/03/65/85/1067036585.db2.gz AETRPMATSIGEIP-POCHDABASA-N 0 0 451.485 4.556 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001458344794 1067036602 /nfs/dbraw/zinc/03/66/02/1067036602.db2.gz IWQGEFWDXPVRKL-SFHVURJKSA-N 0 0 451.369 4.867 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)c2)c1 ZINC001449908668 1067036693 /nfs/dbraw/zinc/03/66/93/1067036693.db2.gz DRJMDSBFVJEXRR-XMSQKQJNSA-N 0 0 450.560 4.746 20 0 JJADRN CC[C@H](C)[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908071 1067036821 /nfs/dbraw/zinc/03/68/21/1067036821.db2.gz AYIRHNSGSSSJEU-DJJJIMSYSA-N 0 0 459.395 4.585 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545758294 1067036867 /nfs/dbraw/zinc/03/68/67/1067036867.db2.gz DOIXNYQYMYSPTK-FQEVSTJZSA-N 0 0 461.532 4.762 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545758327 1067037076 /nfs/dbraw/zinc/03/70/76/1067037076.db2.gz DTBSHIGVWSVPHX-QFIPXVFZSA-N 0 0 451.640 4.543 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)c1ncnc2c1c(Br)nn2C(C)(C)C ZINC001458345495 1067036998 /nfs/dbraw/zinc/03/69/98/1067036998.db2.gz LNOBTLPWFIZTEN-AWEZNQCLSA-N 0 0 452.784 4.821 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCC1(F)CCC1)c1ccccc1 ZINC001545758398 1067037390 /nfs/dbraw/zinc/03/73/90/1067037390.db2.gz GJISSOJDKGRCHF-IFMALSPDSA-N 0 0 455.622 4.795 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2cccc(O)c2Br)cc1OC ZINC001449931231 1067037744 /nfs/dbraw/zinc/03/77/44/1067037744.db2.gz DVJNTNVNUWYVOO-UHFFFAOYSA-N 0 0 459.134 4.967 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC001458346924 1067037693 /nfs/dbraw/zinc/03/76/93/1067037693.db2.gz FWHIFGZHLHUGQC-BCHFMIIMSA-N 0 0 456.546 4.508 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cnn1-c1ccccc1 ZINC001458347599 1067038022 /nfs/dbraw/zinc/03/80/22/1067038022.db2.gz OWWRPKKMNZHTQT-FQEVSTJZSA-N 0 0 457.361 4.667 20 0 JJADRN CC[C@H](CNC(=O)c1cc(Br)c(C(F)(F)F)cc1F)NC(=O)OC(C)(C)C ZINC001449944883 1067038165 /nfs/dbraw/zinc/03/81/65/1067038165.db2.gz OHCVFKQCKJYXKL-SECBINFHSA-N 0 0 457.262 4.640 20 0 JJADRN CC[C@@](C)(CNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)OC ZINC001449949623 1067038305 /nfs/dbraw/zinc/03/83/05/1067038305.db2.gz BMRBMIYUFBKETF-IGKIAQTJSA-N 0 0 450.579 4.721 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)c2nccs2)CCO1 ZINC001546099686 1067038858 /nfs/dbraw/zinc/03/88/58/1067038858.db2.gz KRDFIMLJXGKXOJ-NTKDMRAZSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)c2nccs2)CCO1 ZINC001546099687 1067038875 /nfs/dbraw/zinc/03/88/75/1067038875.db2.gz KRDFIMLJXGKXOJ-YADARESESA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001546018452 1067038911 /nfs/dbraw/zinc/03/89/11/1067038911.db2.gz BXVOQHPJXOXCQZ-JTHBVZDNSA-N 0 0 498.672 4.670 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545758584 1067038790 /nfs/dbraw/zinc/03/87/90/1067038790.db2.gz JHEIURTXZIFQSI-BBFADADBSA-N 0 0 481.685 4.861 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449968455 1067039175 /nfs/dbraw/zinc/03/91/75/1067039175.db2.gz MNQHKUZKTFSEIA-SECBINFHSA-N 0 0 452.729 4.544 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4cc(N(C)C)ccc4c3)cc2)C1 ZINC001449966298 1067039339 /nfs/dbraw/zinc/03/93/39/1067039339.db2.gz NGUFIVZEENZTGA-SFHVURJKSA-N 0 0 451.592 4.579 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001449978943 1067039821 /nfs/dbraw/zinc/03/98/21/1067039821.db2.gz WQTOOKNYFIZJDI-CYBMUJFWSA-N 0 0 454.379 4.643 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2C1=O ZINC001449970706 1067039851 /nfs/dbraw/zinc/03/98/51/1067039851.db2.gz OONZDTVETOUCEI-NSHDSACASA-N 0 0 459.333 4.757 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546018641 1067040159 /nfs/dbraw/zinc/04/01/59/1067040159.db2.gz GJJYBJBOGUACQK-DOIPELPJSA-N 0 0 477.694 4.982 20 0 JJADRN C[C@H](NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449980401 1067040318 /nfs/dbraw/zinc/04/03/18/1067040318.db2.gz YBUNRFKANROMGP-ISVAXAHUSA-N 0 0 451.301 4.595 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)cc1 ZINC001450006225 1067040778 /nfs/dbraw/zinc/04/07/78/1067040778.db2.gz WPZXLSWCCMTKMS-XPNTWCBSSA-N 0 0 450.579 4.539 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545759150 1067040834 /nfs/dbraw/zinc/04/08/34/1067040834.db2.gz SLGKRNKIORVHIG-DHIUTWEWSA-N 0 0 482.698 4.660 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3ccsc3)CC2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545759095 1067040871 /nfs/dbraw/zinc/04/08/71/1067040871.db2.gz RRRXVNLDRRREGF-HUBRWUETSA-N 0 0 499.750 4.751 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Cl)cc2C1)NC(=O)OC(C)(C)C ZINC001546018833 1067041140 /nfs/dbraw/zinc/04/11/40/1067041140.db2.gz JCURTEXRDZSDMP-VQTJNVASSA-N 0 0 476.021 4.649 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1)OC ZINC001546018832 1067041348 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4.684 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545765922 1067050746 /nfs/dbraw/zinc/05/07/46/1067050746.db2.gz KIKYKGHGROWINJ-XIDUCYGFSA-N 0 0 497.684 4.673 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)[C@@H]1c1ccccc1OC ZINC001458395604 1067050753 /nfs/dbraw/zinc/05/07/53/1067050753.db2.gz HFVCAKQODOBYRA-VAVFWORHSA-N 0 0 458.643 4.875 20 0 JJADRN C[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001458395921 1067050860 /nfs/dbraw/zinc/05/08/60/1067050860.db2.gz RBLTYOKLAVFESE-XMCHAPAWSA-N 0 0 457.489 4.801 20 0 JJADRN COc1cc(CCNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)ccc1Cl ZINC001450117852 1067050949 /nfs/dbraw/zinc/05/09/49/1067050949.db2.gz WHNHUROSXJEDDV-UHFFFAOYSA-N 0 0 450.848 4.874 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC001458397036 1067051068 /nfs/dbraw/zinc/05/10/68/1067051068.db2.gz LKPZPNWMHBTCFP-INIZCTEOSA-N 0 0 456.384 4.992 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1F ZINC001458397913 1067051483 /nfs/dbraw/zinc/05/14/83/1067051483.db2.gz OFVFYTVFCXIUKA-KRWDZBQOSA-N 0 0 453.276 4.663 20 0 JJADRN CCC(CC)[C@H]1C[C@H](NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)CCO1 ZINC001458397241 1067051589 /nfs/dbraw/zinc/05/15/89/1067051589.db2.gz LQCDGCIXVIAZIK-AQNXPRMDSA-N 0 0 458.521 4.724 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545766475 1067051829 /nfs/dbraw/zinc/05/18/29/1067051829.db2.gz SLBRGYIKDMORNP-WNRNVDISSA-N 0 0 469.374 4.526 20 0 JJADRN Cc1nc(Br)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001458398305 1067051995 /nfs/dbraw/zinc/05/19/95/1067051995.db2.gz PEMJUJSJGSULPJ-MPGHIAIKSA-N 0 0 452.393 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545766649 1067052388 /nfs/dbraw/zinc/05/23/88/1067052388.db2.gz XDTOGIWUQJGWGV-MBOZVWFJSA-N 0 0 457.669 4.974 20 0 JJADRN CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398814 1067052357 /nfs/dbraw/zinc/05/23/57/1067052357.db2.gz ZBVYLCSKEMBHRJ-NQIIRXRSSA-N 0 0 458.480 4.876 20 0 JJADRN CS(=O)(=O)C[C@@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC001545767117 1067052820 /nfs/dbraw/zinc/05/28/20/1067052820.db2.gz LRFMGBWIIBNSSD-MRXNPFEDSA-N 0 0 454.495 4.596 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545767900 1067053158 /nfs/dbraw/zinc/05/31/58/1067053158.db2.gz JAMFABLWZGQVAC-OVCVCBDASA-N 0 0 497.684 4.937 20 0 JJADRN COc1cccc(-c2nc3ccccc3c(NC[C@](C)(O)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC001458402840 1067053303 /nfs/dbraw/zinc/05/33/03/1067053303.db2.gz BUZJXYVXCVKQPF-HHHXNRCGSA-N 0 0 459.546 4.728 20 0 JJADRN Cc1ccccc1Cn1c2ccccc2nc1NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC001458406115 1067053524 /nfs/dbraw/zinc/05/35/24/1067053524.db2.gz DKPUCYFJLIGCNX-INIZCTEOSA-N 0 0 452.356 4.942 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1)OC ZINC001546019633 1067053638 /nfs/dbraw/zinc/05/36/38/1067053638.db2.gz ZJHVEEJLBXGDQF-RLLQIKCJSA-N 0 0 490.674 4.882 20 0 JJADRN CC[C@H](c1nnc(Nc2cnn(C)c2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545768048 1067053808 /nfs/dbraw/zinc/05/38/08/1067053808.db2.gz LUNVQOBEXVZABK-FQEVSTJZSA-N 0 0 453.591 4.554 20 0 JJADRN C[C@H]1CN(C(=O)CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145212 1067054140 /nfs/dbraw/zinc/05/41/40/1067054140.db2.gz LDEWACVCNYOXGP-YJBOKZPZSA-N 0 0 456.505 4.689 20 0 JJADRN CC[C@H](c1nnc(Nc2cnn(C)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545768328 1067054111 /nfs/dbraw/zinc/05/41/11/1067054111.db2.gz SPMFLWRCXPDRRC-NQIIRXRSSA-N 0 0 467.618 4.943 20 0 JJADRN CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)cc2C1)SC ZINC001545768496 1067054688 /nfs/dbraw/zinc/05/46/88/1067054688.db2.gz XRQCSLMQQMMBIV-UHFFFAOYSA-N 0 0 462.063 4.652 20 0 JJADRN CCC1(CC)[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[C@@H](C)[C@@H]1OC ZINC001458408284 1067054600 /nfs/dbraw/zinc/05/46/00/1067054600.db2.gz GWQFJVKIHJCNRU-YSGRDPCXSA-N 0 0 454.533 4.514 20 0 JJADRN C[C@H]1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450154442 1067054986 /nfs/dbraw/zinc/05/49/86/1067054986.db2.gz UOGGRXOZTXNZAX-FZDIXFNVSA-N 0 0 456.505 4.687 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1)OC ZINC001545769706 1067055432 /nfs/dbraw/zinc/05/54/32/1067055432.db2.gz IDOJVODXSURLEN-ROUUACIJSA-N 0 0 462.038 4.549 20 0 JJADRN CC(=O)c1cccc(CNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 ZINC001450156786 1067055510 /nfs/dbraw/zinc/05/55/10/1067055510.db2.gz MBTRCPGERJHJLT-UHFFFAOYSA-N 0 0 452.352 4.646 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C)SC ZINC001545770027 1067055682 /nfs/dbraw/zinc/05/56/82/1067055682.db2.gz SAIVSCGOBOTPIV-INIZCTEOSA-N 0 0 450.052 4.772 20 0 JJADRN CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC)c1ccc(C)c(F)c1 ZINC001458412588 1067055705 /nfs/dbraw/zinc/05/57/05/1067055705.db2.gz TYAOBEFRAMOGQW-UTKZUKDTSA-N 0 0 456.587 4.960 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1)SC ZINC001545769812 1067055779 /nfs/dbraw/zinc/05/57/79/1067055779.db2.gz LQZKZBDXIOTHIL-INIZCTEOSA-N 0 0 482.119 4.725 20 0 JJADRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001545770384 1067056164 /nfs/dbraw/zinc/05/61/64/1067056164.db2.gz GNDKCLNLYZRVEV-UHFFFAOYSA-N 0 0 450.541 4.742 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCCCC2)CCO1 ZINC001546100430 1067056241 /nfs/dbraw/zinc/05/62/41/1067056241.db2.gz ZADNXTBXTUWWSJ-MUUNZHRXSA-N 0 0 497.684 4.563 20 0 JJADRN C[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1noc(-c2ccccc2)n1 ZINC001545770460 1067056187 /nfs/dbraw/zinc/05/61/87/1067056187.db2.gz IYPNYQOPMGANET-PGRDOPGGSA-N 0 0 456.502 4.582 20 0 JJADRN C[C@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450160006 1067056570 /nfs/dbraw/zinc/05/65/70/1067056570.db2.gz YOOWDLJVQFNNJB-KXBFYZLASA-N 0 0 454.489 4.561 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC001450163943 1067056761 /nfs/dbraw/zinc/05/67/61/1067056761.db2.gz ZHOPEORAHXSCAB-RBUKOAKNSA-N 0 0 452.407 4.593 20 0 JJADRN C=C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001450168726 1067056995 /nfs/dbraw/zinc/05/69/95/1067056995.db2.gz LPAWAINMSDXYRG-UHFFFAOYSA-N 0 0 452.963 4.806 20 0 JJADRN C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1F ZINC001458421047 1067057082 /nfs/dbraw/zinc/05/70/82/1067057082.db2.gz IFNYMRGTFCOMQR-INIZCTEOSA-N 0 0 453.963 4.891 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC ZINC001545771035 1067057249 /nfs/dbraw/zinc/05/72/49/1067057249.db2.gz DAYUZIDVZRSFCC-KCWPFWIISA-N 0 0 499.700 4.541 20 0 JJADRN Cc1c(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)nnn1Cc1ccncc1 ZINC001450173041 1067057347 /nfs/dbraw/zinc/05/73/47/1067057347.db2.gz RTIJUWSQVKNCNF-UHFFFAOYSA-N 0 0 458.522 4.782 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001450184036 1067057758 /nfs/dbraw/zinc/05/77/58/1067057758.db2.gz SEELEGQZBYAYFM-MRXNPFEDSA-N 0 0 453.926 4.614 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1)SC ZINC001545771213 1067057685 /nfs/dbraw/zinc/05/76/85/1067057685.db2.gz ITVMDMAVAQJTFR-OAQYLSRUSA-N 0 0 495.487 4.625 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1)SC ZINC001545771223 1067057694 /nfs/dbraw/zinc/05/76/94/1067057694.db2.gz JCAHJMTXWUUNJE-GOSISDBHSA-N 0 0 453.450 4.849 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC[C@H](c4ccccn4)C3)cc2Br)on1 ZINC001450180781 1067057795 /nfs/dbraw/zinc/05/77/95/1067057795.db2.gz KBPRKWNNSQEIQD-KRWDZBQOSA-N 0 0 456.340 4.739 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N3CCC=C(c4cn(C(C)C)nn4)CC3)c2C(F)(F)F)c1 ZINC001450182795 1067057893 /nfs/dbraw/zinc/05/78/93/1067057893.db2.gz UNPRFGPIWRPDLF-UHFFFAOYSA-N 0 0 458.488 4.692 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC ZINC001545771316 1067057970 /nfs/dbraw/zinc/05/79/70/1067057970.db2.gz LUFMJSAQOOANPA-INIZCTEOSA-N 0 0 491.352 4.680 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@H](c2ccccn2)C1 ZINC001450185565 1067058241 /nfs/dbraw/zinc/05/82/41/1067058241.db2.gz XXKFRYVAWBCCBT-ZDUSSCGKSA-N 0 0 452.292 4.624 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1)OC ZINC001545771361 1067058290 /nfs/dbraw/zinc/05/82/90/1067058290.db2.gz MZUCFIMKZCSXIF-KRWDZBQOSA-N 0 0 453.450 4.855 20 0 JJADRN CCc1nn(Cc2ccccc2)c(CC)c1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458428409 1067058468 /nfs/dbraw/zinc/05/84/68/1067058468.db2.gz JMZGXWZSNKHUJH-UHFFFAOYSA-N 0 0 451.514 4.962 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1C(F)F ZINC001458428196 1067058479 /nfs/dbraw/zinc/05/84/79/1067058479.db2.gz IGUJXWFLTQIVRB-SECBINFHSA-N 0 0 454.802 4.661 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CCCO)CC1)OC ZINC001545771393 1067058504 /nfs/dbraw/zinc/05/85/04/1067058504.db2.gz NSSVEBTTWPVHOK-UHFFFAOYSA-N 0 0 465.642 4.996 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2cnn(C3CCOCC3)c2C)nnc1-c1ccccc1 ZINC001450195878 1067058812 /nfs/dbraw/zinc/05/88/12/1067058812.db2.gz JXSCWFMDKSBUBB-INIZCTEOSA-N 0 0 454.600 4.503 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ccccn2)CC1)OC ZINC001545771548 1067058784 /nfs/dbraw/zinc/05/87/84/1067058784.db2.gz SDMDTBVNOGACAS-UHFFFAOYSA-N 0 0 499.457 4.634 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCCc2cc(C)c(Br)cc21)c1c(F)cccc1F ZINC001458430687 1067058911 /nfs/dbraw/zinc/05/89/11/1067058911.db2.gz KKMRTCISFRKEFT-GOSISDBHSA-N 0 0 451.311 4.582 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001458434290 1067059486 /nfs/dbraw/zinc/05/94/86/1067059486.db2.gz VHHKCCZZARMXKB-ZDUSSCGKSA-N 0 0 454.811 4.557 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545771611 1067059311 /nfs/dbraw/zinc/05/93/11/1067059311.db2.gz UVKSVDMLSWLVOH-ZWKOTPCHSA-N 0 0 494.036 4.554 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](OC)C(C)(C)C1)SC ZINC001545771685 1067059596 /nfs/dbraw/zinc/05/95/96/1067059596.db2.gz XAGUHWHBVWNCDV-MRXNPFEDSA-N 0 0 470.481 4.819 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)C(C)(C)C1)SC ZINC001545771684 1067059629 /nfs/dbraw/zinc/05/96/29/1067059629.db2.gz XAGUHWHBVWNCDV-INIZCTEOSA-N 0 0 470.481 4.819 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC001458436892 1067059683 /nfs/dbraw/zinc/05/96/83/1067059683.db2.gz FKIWNSIJKWKAHD-SGTLLEGYSA-N 0 0 451.311 4.665 20 0 JJADRN Cc1c(C(=O)Nc2ncc(C)cc2Br)cnn1-c1ccc(Br)cc1 ZINC001458437371 1067059815 /nfs/dbraw/zinc/05/98/15/1067059815.db2.gz FJDNCKULSFOUMJ-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001450212791 1067060197 /nfs/dbraw/zinc/06/01/97/1067060197.db2.gz JVONBRVHMLSKNH-UIFIKXQLSA-N 0 0 455.555 4.783 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1)Oc1ccccc1F ZINC001546020482 1067060356 /nfs/dbraw/zinc/06/03/56/1067060356.db2.gz GUWUIWFEAHHEQI-QYWGDWMGSA-N 0 0 499.414 4.898 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cc(C)ccn3)ccc2C)cc1 ZINC001450216379 1067060666 /nfs/dbraw/zinc/06/06/66/1067060666.db2.gz GNVYSFYEGPPAHF-UHFFFAOYSA-N 0 0 451.592 4.772 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C(C)C)C1)Oc1cccc(F)c1 ZINC001546020700 1067060905 /nfs/dbraw/zinc/06/09/05/1067060905.db2.gz NEKFVAQOYYXJCX-MHADKKCISA-N 0 0 492.661 4.577 20 0 JJADRN O=C([C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450225389 1067061139 /nfs/dbraw/zinc/06/11/39/1067061139.db2.gz FUUFTKIXLRLJAJ-YXJHDRRASA-N 0 0 453.739 4.810 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C(C)C)C1)Oc1cccc(F)c1 ZINC001546020702 1067061281 /nfs/dbraw/zinc/06/12/81/1067061281.db2.gz NEKFVAQOYYXJCX-WJFJTQNHSA-N 0 0 492.661 4.577 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)OC ZINC001545772679 1067061328 /nfs/dbraw/zinc/06/13/28/1067061328.db2.gz IJCPJQRRCFERNK-TZMCWYRMSA-N 0 0 478.357 4.876 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1)SC ZINC001545772716 1067061454 /nfs/dbraw/zinc/06/14/54/1067061454.db2.gz JUYAELCBERFCCS-MRXNPFEDSA-N 0 0 450.052 4.612 20 0 JJADRN CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001450228597 1067061639 /nfs/dbraw/zinc/06/16/39/1067061639.db2.gz WKAYYOIAUMMSJY-UDKWZTAFSA-N 0 0 457.395 4.540 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CC2)C1)SC ZINC001545772735 1067061766 /nfs/dbraw/zinc/06/17/66/1067061766.db2.gz KKGVCTZXXFVBAH-UHFFFAOYSA-N 0 0 462.685 4.651 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](Oc4cncc(Br)c4)C3)cc2)nc1 ZINC001450229969 1067061891 /nfs/dbraw/zinc/06/18/91/1067061891.db2.gz KTFXTGPZWHFVAH-IBGZPJMESA-N 0 0 454.324 4.633 20 0 JJADRN Cc1c(Br)ccc(O)c1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001450233286 1067061904 /nfs/dbraw/zinc/06/19/04/1067061904.db2.gz YGNRIVSHAILSCE-UHFFFAOYSA-N 0 0 452.658 4.971 20 0 JJADRN CN(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1c(F)cccc1Cl ZINC001450232260 1067062076 /nfs/dbraw/zinc/06/20/76/1067062076.db2.gz BFGBOZTZSMSLGM-BEFAXECRSA-N 0 0 453.986 4.520 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545772796 1067062140 /nfs/dbraw/zinc/06/21/40/1067062140.db2.gz MKZVFDMOVWMSQL-RTBURBONSA-N 0 0 487.645 4.651 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545772817 1067062173 /nfs/dbraw/zinc/06/21/73/1067062173.db2.gz NILXFMRLNLNNEX-JOCHJYFZSA-N 0 0 466.630 4.792 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1scnc1C)SC ZINC001545772839 1067062347 /nfs/dbraw/zinc/06/23/47/1067062347.db2.gz OAPWQSXZNVIJPW-UHFFFAOYSA-N 0 0 493.724 4.672 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001450236382 1067062417 /nfs/dbraw/zinc/06/24/17/1067062417.db2.gz JFGGHPJIRKQUDN-HZPDHXFCSA-N 0 0 456.505 4.911 20 0 JJADRN Cc1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1Br ZINC001450235771 1067062518 /nfs/dbraw/zinc/06/25/18/1067062518.db2.gz IOOXWEOMGFKCRN-AWEZNQCLSA-N 0 0 455.368 4.949 20 0 JJADRN CN1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445837 1067062521 /nfs/dbraw/zinc/06/25/21/1067062521.db2.gz FEFADERTNZNQNX-BZNIZROVSA-N 0 0 450.263 4.969 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)[C@@H]1C)OC ZINC001545772950 1067062604 /nfs/dbraw/zinc/06/26/04/1067062604.db2.gz RPOMFJUTMGBLHH-AWEZNQCLSA-N 0 0 471.465 4.978 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)OC ZINC001545772939 1067062772 /nfs/dbraw/zinc/06/27/72/1067062772.db2.gz RIFMYXIRNMQSLM-OAQYLSRUSA-N 0 0 482.467 4.882 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC ZINC001545772897 1067062815 /nfs/dbraw/zinc/06/28/15/1067062815.db2.gz PZBFSYTYZNUHEF-FQEVSTJZSA-N 0 0 488.583 4.999 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cs1 ZINC001450238030 1067062997 /nfs/dbraw/zinc/06/29/97/1067062997.db2.gz LYQJBOZCDCYATN-GOSISDBHSA-N 0 0 458.628 4.532 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](COC)C1)SC ZINC001545772984 1067062945 /nfs/dbraw/zinc/06/29/45/1067062945.db2.gz SKMLQEOQVCRFBE-GOSISDBHSA-N 0 0 454.644 4.730 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001450241909 1067063223 /nfs/dbraw/zinc/06/32/23/1067063223.db2.gz UQARUELWDHFMRO-KRWDZBQOSA-N 0 0 451.832 4.922 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545773115 1067063308 /nfs/dbraw/zinc/06/33/08/1067063308.db2.gz XGFNYVHOYSCWEO-UHFFFAOYSA-N 0 0 496.624 4.854 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CCOC)CC1)SC ZINC001545773101 1067063474 /nfs/dbraw/zinc/06/34/74/1067063474.db2.gz WSGOHXIMIOLQFM-IBGZPJMESA-N 0 0 491.771 4.822 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(C)OC[C@@H]1C)OC ZINC001545773105 1067063565 /nfs/dbraw/zinc/06/35/65/1067063565.db2.gz WTZZXYULKDUZGC-SFHVURJKSA-N 0 0 452.603 4.544 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(F)(F)F)OC ZINC001545773137 1067063739 /nfs/dbraw/zinc/06/37/39/1067063739.db2.gz XYMQINSURKROCY-UHFFFAOYSA-N 0 0 450.509 4.929 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1)c1ccc(F)cc1Cl ZINC001450251910 1067064340 /nfs/dbraw/zinc/06/43/40/1067064340.db2.gz VOVHDBKGDMQEMV-PBGAUENZSA-N 0 0 454.970 4.851 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)SC ZINC001545774024 1067064472 /nfs/dbraw/zinc/06/44/72/1067064472.db2.gz BKQGQOQAEVGFLU-OAHLLOKOSA-N 0 0 491.027 4.988 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1cccc(C2CC2)c1 ZINC001450254187 1067064880 /nfs/dbraw/zinc/06/48/80/1067064880.db2.gz ZKTBBLROQANZCM-KRWDZBQOSA-N 0 0 454.617 4.638 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)[nH]c(C)c1C(C)=O ZINC001450256147 1067064903 /nfs/dbraw/zinc/06/49/03/1067064903.db2.gz LSRSUALLWQPBDZ-WOJBJXKFSA-N 0 0 459.631 4.978 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545774174 1067065164 /nfs/dbraw/zinc/06/51/64/1067065164.db2.gz GETNUJPGFYNSAO-LJQANCHMSA-N 0 0 478.037 4.907 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1)SC ZINC001545774165 1067065227 /nfs/dbraw/zinc/06/52/27/1067065227.db2.gz FYSNQHOIYYGADP-UHFFFAOYSA-N 0 0 477.000 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc(CCc3ccccc3)ccc2O)C1 ZINC001546100866 1067065850 /nfs/dbraw/zinc/06/58/50/1067065850.db2.gz MKFPRNKPYSBAQM-HHHXNRCGSA-N 0 0 452.595 4.944 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)SC ZINC001545774325 1067065942 /nfs/dbraw/zinc/06/59/42/1067065942.db2.gz LHVYBKAZLYUYLH-KRWDZBQOSA-N 0 0 482.069 4.964 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1)OC ZINC001545774285 1067066103 /nfs/dbraw/zinc/06/61/03/1067066103.db2.gz KCDIWGTWAKJHKI-IBGZPJMESA-N 0 0 457.022 4.921 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001450263395 1067066023 /nfs/dbraw/zinc/06/60/23/1067066023.db2.gz IUMCAZAXBKJBRE-CYBMUJFWSA-N 0 0 450.992 4.803 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450263273 1067066233 /nfs/dbraw/zinc/06/62/33/1067066233.db2.gz ZHSBLKXFDVSUAI-NHCUHLMSSA-N 0 0 452.599 4.680 20 0 JJADRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001450262631 1067066289 /nfs/dbraw/zinc/06/62/89/1067066289.db2.gz OIUDPDSPISFXPB-UHFFFAOYSA-N 0 0 453.823 4.515 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1)SC ZINC001545774331 1067066329 /nfs/dbraw/zinc/06/63/29/1067066329.db2.gz LPKYMKNJNDFWMU-UHFFFAOYSA-N 0 0 464.079 4.825 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545774414 1067066792 /nfs/dbraw/zinc/06/67/92/1067066792.db2.gz OSXMOJSZWUUJKL-QGZVFWFLSA-N 0 0 493.052 4.550 20 0 JJADRN CN1C(=S)N=NC1CCCNC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001450268569 1067067070 /nfs/dbraw/zinc/06/70/70/1067067070.db2.gz JDJOGDOKLSQJST-UHFFFAOYSA-N 0 0 452.605 4.646 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 ZINC001458454907 1067067122 /nfs/dbraw/zinc/06/71/22/1067067122.db2.gz LJURFMZIHZFPJT-INIZCTEOSA-N 0 0 456.384 4.903 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453738 1067067146 /nfs/dbraw/zinc/06/71/46/1067067146.db2.gz MNFZPZNFBWXYFK-AHWVRZQESA-N 0 0 457.014 4.566 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453752 1067067193 /nfs/dbraw/zinc/06/71/93/1067067193.db2.gz MNFZPZNFBWXYFK-AZGAKELHSA-N 0 0 457.014 4.566 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545774492 1067067254 /nfs/dbraw/zinc/06/72/54/1067067254.db2.gz QVQIFHZRFNXRJU-UHFFFAOYSA-N 0 0 485.629 4.812 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453831 1067067479 /nfs/dbraw/zinc/06/74/79/1067067479.db2.gz MRAPMTYJIVAVRX-PXNSSMCTSA-N 0 0 459.826 4.927 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001458457752 1067067709 /nfs/dbraw/zinc/06/77/09/1067067709.db2.gz QEGVMHUYTIJSBP-MBSDFSHPSA-N 0 0 459.428 4.932 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)C[C@@H]1CSc2ccccc2O1)Cc1ccccc1 ZINC001450274123 1067068022 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453.427 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC[C@@H]21 ZINC001450275890 1067068455 /nfs/dbraw/zinc/06/84/55/1067068455.db2.gz KWHXDGYVJGRXJV-SPUZQDLCSA-N 0 0 454.489 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC001546101053 1067068747 /nfs/dbraw/zinc/06/87/47/1067068747.db2.gz RRPSIGQHKXVHDJ-NRFANRHFSA-N 0 0 450.377 4.697 20 0 JJADRN CC(C)Cn1ncc(C(=O)NC[C@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)c1C1CC1 ZINC001450281336 1067068763 /nfs/dbraw/zinc/06/87/63/1067068763.db2.gz RPWCTYOHKGMZAT-NRFANRHFSA-N 0 0 454.615 4.625 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC001450279089 1067068902 /nfs/dbraw/zinc/06/89/02/1067068902.db2.gz NSEDGKORHOKCKI-GOSISDBHSA-N 0 0 452.473 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC001546101054 1067068911 /nfs/dbraw/zinc/06/89/11/1067068911.db2.gz RRPSIGQHKXVHDJ-OAQYLSRUSA-N 0 0 450.377 4.697 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001450287822 1067069004 /nfs/dbraw/zinc/06/90/04/1067069004.db2.gz AYCGPKDCEOLGMP-ZDUSSCGKSA-N 0 0 453.368 4.710 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC001458466514 1067069131 /nfs/dbraw/zinc/06/91/31/1067069131.db2.gz ITXZEGQSHHGSKM-QHCPKHFHSA-N 0 0 451.636 4.636 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001458465833 1067069155 /nfs/dbraw/zinc/06/91/55/1067069155.db2.gz ZVKRVPZCHIBPKF-QFIPXVFZSA-N 0 0 450.966 4.735 20 0 JJADRN COc1cc(Br)cc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC001458465145 1067069233 /nfs/dbraw/zinc/06/92/33/1067069233.db2.gz AXLCUSVEXSSTGV-SFHVURJKSA-N 0 0 453.745 4.679 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)OC ZINC001545775699 1067069201 /nfs/dbraw/zinc/06/92/01/1067069201.db2.gz HYHLAFJEFXRTCZ-OXJNMPFZSA-N 0 0 477.531 4.855 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCCCO1)SC ZINC001545775950 1067069999 /nfs/dbraw/zinc/06/99/99/1067069999.db2.gz QGAWXXPRUOOYPQ-IBGZPJMESA-N 0 0 460.644 4.643 20 0 JJADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001546021488 1067070185 /nfs/dbraw/zinc/07/01/85/1067070185.db2.gz IHJMOAJULHNNJL-AVRDEDQJSA-N 0 0 458.484 4.795 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1)SC ZINC001545776086 1067070374 /nfs/dbraw/zinc/07/03/74/1067070374.db2.gz VJLZGAYCHMXURD-HSZRJFAPSA-N 0 0 498.697 4.594 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1)SC ZINC001545776000 1067070461 /nfs/dbraw/zinc/07/04/61/1067070461.db2.gz SARISYKFNWBHTD-UHFFFAOYSA-N 0 0 473.687 4.570 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545776038 1067070528 /nfs/dbraw/zinc/07/05/28/1067070528.db2.gz UFSSZWMUIMLIIQ-IBGZPJMESA-N 0 0 487.645 4.652 20 0 JJADRN COc1ccc(-c2cc(CNc3ncnc4c3c(Br)nn4C(C)(C)C)on2)cc1 ZINC001458474081 1067070960 /nfs/dbraw/zinc/07/09/60/1067070960.db2.gz GBDBCGQIFXFIHK-UHFFFAOYSA-N 0 0 457.332 4.620 20 0 JJADRN CN(C)C(=O)OC1CCN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC001450312120 1067071026 /nfs/dbraw/zinc/07/10/26/1067071026.db2.gz PUMOGWUESQEEDZ-UHFFFAOYSA-N 0 0 455.505 4.735 20 0 JJADRN O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001450321529 1067071076 /nfs/dbraw/zinc/07/10/76/1067071076.db2.gz ZJQAHNKECQJGHE-GFCCVEGCSA-N 0 0 453.730 4.525 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)SC ZINC001545777496 1067071148 /nfs/dbraw/zinc/07/11/48/1067071148.db2.gz CFWDAYWHHLRXJF-HXUWFJFHSA-N 0 0 495.697 4.771 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545777511 1067071162 /nfs/dbraw/zinc/07/11/62/1067071162.db2.gz CSUMJQCNBQVJGN-SFHVURJKSA-N 0 0 475.609 4.735 20 0 JJADRN CNc1ncnc2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)Cc3ccccn3)ccc21 ZINC001545777149 1067071259 /nfs/dbraw/zinc/07/12/59/1067071259.db2.gz SNAFOEBTEJCQIW-UHFFFAOYSA-N 0 0 451.452 4.928 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001545777435 1067071295 /nfs/dbraw/zinc/07/12/95/1067071295.db2.gz ZZKNDPLNMQKCSR-LJQANCHMSA-N 0 0 451.489 4.933 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cccc(OCC(F)F)n1 ZINC001458476381 1067071591 /nfs/dbraw/zinc/07/15/91/1067071591.db2.gz LWDMRLXHOUVIKY-UHFFFAOYSA-N 0 0 454.296 4.793 20 0 JJADRN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001450342442 1067071800 /nfs/dbraw/zinc/07/18/00/1067071800.db2.gz GFEMEMNXQJYYHI-MRXNPFEDSA-N 0 0 455.139 4.609 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC001458478502 1067071785 /nfs/dbraw/zinc/07/17/85/1067071785.db2.gz PEHMJDAYJWLPLT-UHFFFAOYSA-N 0 0 459.974 4.781 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545777712 1067072109 /nfs/dbraw/zinc/07/21/09/1067072109.db2.gz KAYBCRXDAVNQCS-ROUUACIJSA-N 0 0 476.691 4.697 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545777711 1067072133 /nfs/dbraw/zinc/07/21/33/1067072133.db2.gz KAYBCRXDAVNQCS-QZTJIDSGSA-N 0 0 476.691 4.697 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NC[C@H](O)c1c(Cl)cccc1Cl ZINC001450344412 1067071972 /nfs/dbraw/zinc/07/19/72/1067071972.db2.gz IIVNANXEWWMNFR-ZDUSSCGKSA-N 0 0 453.547 4.638 20 0 JJADRN CN(Cc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001450343356 1067071983 /nfs/dbraw/zinc/07/19/83/1067071983.db2.gz FVSFHMIPIRHPST-UHFFFAOYSA-N 0 0 450.894 4.691 20 0 JJADRN COCCOCc1ccc(CNC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001450342441 1067072030 /nfs/dbraw/zinc/07/20/30/1067072030.db2.gz DMRKVJZSQZIIIS-OAQYLSRUSA-N 0 0 451.592 4.786 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1)OC ZINC001545777676 1067072185 /nfs/dbraw/zinc/07/21/85/1067072185.db2.gz JSBACBVRAIHZFJ-UHFFFAOYSA-N 0 0 497.713 4.622 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)cs2)cc1 ZINC001450344904 1067072347 /nfs/dbraw/zinc/07/23/47/1067072347.db2.gz KGYRGBYFAGSDAO-GOSISDBHSA-N 0 0 451.375 4.908 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1)SC ZINC001545777775 1067072518 /nfs/dbraw/zinc/07/25/18/1067072518.db2.gz MDEAQLLTFBGTFA-UHFFFAOYSA-N 0 0 491.105 4.904 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1)SC ZINC001545777903 1067072557 /nfs/dbraw/zinc/07/25/57/1067072557.db2.gz PPQLFVYQSUYHFL-UHFFFAOYSA-N 0 0 492.693 4.969 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N(C)CCC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545777812 1067072570 /nfs/dbraw/zinc/07/25/70/1067072570.db2.gz NCNLUBWORFXDTB-UHFFFAOYSA-N 0 0 486.661 4.677 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CC2(C1)CCCCC2 ZINC001450350482 1067072625 /nfs/dbraw/zinc/07/26/25/1067072625.db2.gz LHSUDFWDNJODOE-UHFFFAOYSA-N 0 0 452.498 4.913 20 0 JJADRN CCCc1nc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)nn1-c1ccccc1Cl ZINC001450351900 1067072912 /nfs/dbraw/zinc/07/29/12/1067072912.db2.gz XRWPYHLUJCZKRT-INIZCTEOSA-N 0 0 453.757 4.643 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1(C)C ZINC001450356632 1067073311 /nfs/dbraw/zinc/07/33/11/1067073311.db2.gz AOXSQLLBHCGXNW-AXHZCLLHSA-N 0 0 452.542 4.557 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)SC ZINC001545778031 1067073240 /nfs/dbraw/zinc/07/32/40/1067073240.db2.gz UXUGGUARVAINBH-IBGZPJMESA-N 0 0 473.687 4.617 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001546022185 1067073648 /nfs/dbraw/zinc/07/36/48/1067073648.db2.gz YNJUSUYHWDFYHL-NZQKXSOJSA-N 0 0 458.986 4.801 20 0 JJADRN COc1cc(NC(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)cc2cccnc21 ZINC001450363979 1067073759 /nfs/dbraw/zinc/07/37/59/1067073759.db2.gz XGDUVFBKUAZYKN-UHFFFAOYSA-N 0 0 451.523 4.741 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)c1ccc(F)cc1F ZINC001545778838 1067073750 /nfs/dbraw/zinc/07/37/50/1067073750.db2.gz UDGOFQQOOMTVAR-QGZVFWFLSA-N 0 0 450.283 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)C1 ZINC001450380073 1067074088 /nfs/dbraw/zinc/07/40/88/1067074088.db2.gz MEMAWGIMJJHEQP-PMACEKPBSA-N 0 0 451.007 4.680 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001450379884 1067074271 /nfs/dbraw/zinc/07/42/71/1067074271.db2.gz KQJQXSRXFFFPOT-MRXNPFEDSA-N 0 0 454.246 4.541 20 0 JJADRN CC(C)c1cc(Br)ccc1NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001458494261 1067074386 /nfs/dbraw/zinc/07/43/86/1067074386.db2.gz BGBOAKCRFWAYEQ-MRXNPFEDSA-N 0 0 455.393 4.927 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001546022361 1067074467 /nfs/dbraw/zinc/07/44/67/1067074467.db2.gz DAHCHPSLUMNPOJ-PZJWPPBQSA-N 0 0 485.654 4.620 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(Br)cc2C1)OC ZINC001545779527 1067074688 /nfs/dbraw/zinc/07/46/88/1067074688.db2.gz QZUDBGKSCWVOLN-UHFFFAOYSA-N 0 0 458.404 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)C1 ZINC001450380086 1067074753 /nfs/dbraw/zinc/07/47/53/1067074753.db2.gz MEMAWGIMJJHEQP-WOJBJXKFSA-N 0 0 451.007 4.680 20 0 JJADRN Cc1sc(Br)c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001450381561 1067074948 /nfs/dbraw/zinc/07/49/48/1067074948.db2.gz AFQMAXDVFSOYAA-UHFFFAOYSA-N 0 0 457.434 4.991 20 0 JJADRN COc1cccc([C@H](CNc2ncc(C(F)(F)F)cc2I)OC)c1 ZINC001458495974 1067075054 /nfs/dbraw/zinc/07/50/54/1067075054.db2.gz PRNHQSRZVGPHGG-AWEZNQCLSA-N 0 0 452.214 4.513 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2CCc2nc(C(C)(C)C)cs2)CCO1 ZINC001546101429 1067075099 /nfs/dbraw/zinc/07/50/99/1067075099.db2.gz CVLQNSQVDTWOPA-AREMUKBSSA-N 0 0 499.681 4.868 20 0 JJADRN Cc1cc(Cl)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001458498286 1067075399 /nfs/dbraw/zinc/07/53/99/1067075399.db2.gz USBRJBRUYWTVMI-UHFFFAOYSA-N 0 0 459.370 4.789 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)cc2)cn1 ZINC001450386308 1067075380 /nfs/dbraw/zinc/07/53/80/1067075380.db2.gz NIZJVRDUIXHJCE-UHFFFAOYSA-N 0 0 458.484 4.951 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450394046 1067075454 /nfs/dbraw/zinc/07/54/54/1067075454.db2.gz AGGVVAUPULSNTK-MPGHIAIKSA-N 0 0 458.521 4.933 20 0 JJADRN C[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)n1ccc2ccccc2c1=O ZINC001450397429 1067075821 /nfs/dbraw/zinc/07/58/21/1067075821.db2.gz CTPAJEUCFRLZTN-KKSFZXQISA-N 0 0 458.480 4.960 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001545780468 1067076065 /nfs/dbraw/zinc/07/60/65/1067076065.db2.gz XFUYDVMZUPOHFZ-QGZVFWFLSA-N 0 0 453.587 4.642 20 0 JJADRN Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c(C2CCCCC2)n1 ZINC001450401663 1067076268 /nfs/dbraw/zinc/07/62/68/1067076268.db2.gz LIRPEESYYDCEIU-UHFFFAOYSA-N 0 0 454.477 4.956 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545780776 1067076311 /nfs/dbraw/zinc/07/63/11/1067076311.db2.gz HQRPEATZUDJNPP-KRWDZBQOSA-N 0 0 469.590 4.609 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](COC)C1)SC ZINC001545780806 1067076346 /nfs/dbraw/zinc/07/63/46/1067076346.db2.gz IYXJWKGSBPTBTP-FQEVSTJZSA-N 0 0 468.671 4.915 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(OC)CC1)SC ZINC001545780753 1067076427 /nfs/dbraw/zinc/07/64/27/1067076427.db2.gz GUYGILDMDPLIFD-RUZDIDTESA-N 0 0 498.697 4.509 20 0 JJADRN CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001450403983 1067076588 /nfs/dbraw/zinc/07/65/88/1067076588.db2.gz HZQVVPUQKYITSQ-JWWGGVBKSA-N 0 0 456.549 4.518 20 0 JJADRN O=C(Nc1cncc(Br)c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001458504027 1067076738 /nfs/dbraw/zinc/07/67/38/1067076738.db2.gz ZIKDEIZHHUGTLU-UHFFFAOYSA-N 0 0 456.683 4.550 20 0 JJADRN Cc1cc(NC(=O)c2cc(=O)c3ccc(Cl)cc3o2)nn1CCCOc1ccc(F)cc1 ZINC001458504565 1067076974 /nfs/dbraw/zinc/07/69/74/1067076974.db2.gz FSLBQJFZVYTYLH-UHFFFAOYSA-N 0 0 455.873 4.812 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001450405521 1067077384 /nfs/dbraw/zinc/07/73/84/1067077384.db2.gz GQVPDLZWPZBKLT-MRXNPFEDSA-N 0 0 454.514 4.880 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)SC ZINC001545782002 1067077415 /nfs/dbraw/zinc/07/74/15/1067077415.db2.gz AUAHKTTVJGYLHA-MOPGFXCFSA-N 0 0 496.052 4.521 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOCC1)NC(=O)OC(C)(C)C ZINC001545781297 1067077506 /nfs/dbraw/zinc/07/75/06/1067077506.db2.gz ZRGYXFFVPAIWII-UHFFFAOYSA-N 0 0 496.612 4.520 20 0 JJADRN Fc1cc2ncc(N3CCc4cc(Br)c(Br)cc4C3)nc2cc1F ZINC001458505699 1067077463 /nfs/dbraw/zinc/07/74/63/1067077463.db2.gz SGPAFLGHCKKQOH-UHFFFAOYSA-N 0 0 455.100 4.996 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1ccco1)SC ZINC001545781259 1067077602 /nfs/dbraw/zinc/07/76/02/1067077602.db2.gz YOYUGMNHIIFUAI-QGZVFWFLSA-N 0 0 480.638 4.904 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1(OC)CCC1 ZINC001450407124 1067077618 /nfs/dbraw/zinc/07/76/18/1067077618.db2.gz JAYZDORVCZFFHG-IBGZPJMESA-N 0 0 450.579 4.627 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1)SC ZINC001545782005 1067077676 /nfs/dbraw/zinc/07/76/76/1067077676.db2.gz AUAHKTTVJGYLHA-RTBURBONSA-N 0 0 496.052 4.521 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C(C)(C)C)C1)SC ZINC001545782017 1067077923 /nfs/dbraw/zinc/07/79/23/1067077923.db2.gz BHXOUISFAVJUTH-IBGZPJMESA-N 0 0 484.670 4.767 20 0 JJADRN Cc1sc(CC(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccco1 ZINC001450411014 1067077970 /nfs/dbraw/zinc/07/79/70/1067077970.db2.gz NSGGBMAWRGIGFD-MSOLQXFVSA-N 0 0 459.612 4.892 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cccc(NCc4cncs4)c3)CC2)cc1 ZINC001450411092 1067078039 /nfs/dbraw/zinc/07/80/39/1067078039.db2.gz OIHXUJVOJOQXLM-DEOSSOPVSA-N 0 0 451.592 4.740 20 0 JJADRN O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450410540 1067078211 /nfs/dbraw/zinc/07/82/11/1067078211.db2.gz KZCFUEQQSXJISS-XNMGPUDCSA-N 0 0 451.513 4.929 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NC[C@]3(C)CCCc4ccccc43)CC2=O)ccc1Br ZINC001458506475 1067078359 /nfs/dbraw/zinc/07/83/59/1067078359.db2.gz MCKQVOLPXCDVLP-UUOWRZLLSA-N 0 0 455.396 4.521 20 0 JJADRN NC(=O)Nc1cc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)ccc1F ZINC001450413748 1067078512 /nfs/dbraw/zinc/07/85/12/1067078512.db2.gz STJVDVGGYQJUIN-IBGZPJMESA-N 0 0 458.287 4.838 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)C1 ZINC001458509717 1067078773 /nfs/dbraw/zinc/07/87/73/1067078773.db2.gz YYMRIHUSJMGUKB-GMAHTHKFSA-N 0 0 451.611 4.911 20 0 JJADRN COc1nsc(CNc2nc(C(F)(F)F)c(Br)s2)c1Br ZINC001458510599 1067078791 /nfs/dbraw/zinc/07/87/91/1067078791.db2.gz IOSOEWJXPVLSSH-UHFFFAOYSA-N 0 0 453.103 4.764 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1)OC ZINC001545783910 1067079044 /nfs/dbraw/zinc/07/90/44/1067079044.db2.gz GLDYSIDNMJCBGH-RTWAWAEBSA-N 0 0 493.693 4.603 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1)OC ZINC001545783823 1067079125 /nfs/dbraw/zinc/07/91/25/1067079125.db2.gz DAKBQIOOSSWZGK-SLFFLAALSA-N 0 0 463.667 4.690 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450420277 1067079371 /nfs/dbraw/zinc/07/93/71/1067079371.db2.gz XUKKULDMVJKJAR-AREMUKBSSA-N 0 0 452.982 4.783 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450420779 1067079437 /nfs/dbraw/zinc/07/94/37/1067079437.db2.gz ZTVLHFHJSNOXLJ-OAQYLSRUSA-N 0 0 454.311 4.508 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)CC2)cc1 ZINC001450418041 1067079527 /nfs/dbraw/zinc/07/95/27/1067079527.db2.gz VCNBWKOKUBJXRT-UIOOFZCWSA-N 0 0 454.586 4.551 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450418117 1067079601 /nfs/dbraw/zinc/07/96/01/1067079601.db2.gz VFBOLYLPMQVXSU-DOIPELPJSA-N 0 0 479.662 4.708 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSCC(C)C)CCO1 ZINC001546101617 1067079945 /nfs/dbraw/zinc/07/99/45/1067079945.db2.gz HCOFWUNWBKICOA-CYFREDJKSA-N 0 0 481.707 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC001458520391 1067079958 /nfs/dbraw/zinc/07/99/58/1067079958.db2.gz XRDYVXUQWFPSBE-AOMKIAJQSA-N 0 0 459.388 4.790 20 0 JJADRN O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450437278 1067080468 /nfs/dbraw/zinc/08/04/68/1067080468.db2.gz PULGVZDVXZIOMD-ZEQKJWHPSA-N 0 0 452.957 4.935 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)nc(C2CC2)c1)c1ccc(Br)cc1OCCCO ZINC001450447168 1067080667 /nfs/dbraw/zinc/08/06/67/1067080667.db2.gz LDFBEGKQMXEOTN-GFCCVEGCSA-N 0 0 453.764 4.627 20 0 JJADRN Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC001450446835 1067080682 /nfs/dbraw/zinc/08/06/82/1067080682.db2.gz JQPABBQSMRRMTB-AWEZNQCLSA-N 0 0 459.340 4.665 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1)OC ZINC001545784438 1067080919 /nfs/dbraw/zinc/08/09/19/1067080919.db2.gz SSLVYMFLUPXZES-SMIHKQSGSA-N 0 0 470.658 4.981 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1)c1ccc(Cl)cc1 ZINC001450439117 1067080909 /nfs/dbraw/zinc/08/09/09/1067080909.db2.gz RNBBFQVSTAYSRN-SQJMNOBHSA-N 0 0 452.913 4.533 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1)c1ccc(Cl)cc1 ZINC001450439111 1067080923 /nfs/dbraw/zinc/08/09/23/1067080923.db2.gz RNBBFQVSTAYSRN-PXDATVDWSA-N 0 0 452.913 4.533 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)OC ZINC001545784465 1067080971 /nfs/dbraw/zinc/08/09/71/1067080971.db2.gz TULCCPLFDAYLQZ-IBGZPJMESA-N 0 0 495.590 4.723 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c(C)n1 ZINC001458525796 1067081133 /nfs/dbraw/zinc/08/11/33/1067081133.db2.gz MJLRVBQHLUSOAC-UDFXALJUSA-N 0 0 457.018 4.746 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC001450449769 1067081202 /nfs/dbraw/zinc/08/12/02/1067081202.db2.gz CBWFLZNXOMGOQY-ZAGZISDZSA-N 0 0 455.352 4.649 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545786155 1067081922 /nfs/dbraw/zinc/08/19/22/1067081922.db2.gz JSZKOORGZKDDAN-OALUTQOASA-N 0 0 473.618 4.800 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1c(F)cccc1F)C1CC1)SC ZINC001545786219 1067081980 /nfs/dbraw/zinc/08/19/80/1067081980.db2.gz KSUCMEKNLAHXHV-INIZCTEOSA-N 0 0 498.665 4.549 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1)OC ZINC001545785921 1067082157 /nfs/dbraw/zinc/08/21/57/1067082157.db2.gz FPEGICOXPMSHQQ-HXUWFJFHSA-N 0 0 469.678 4.530 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001458530931 1067082221 /nfs/dbraw/zinc/08/22/21/1067082221.db2.gz KGIBROCTUBRTCD-UHFFFAOYSA-N 0 0 453.823 4.624 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)cn1 ZINC001458529806 1067082238 /nfs/dbraw/zinc/08/22/38/1067082238.db2.gz FJEUPDZMSSWVAA-UHFFFAOYSA-N 0 0 454.958 4.946 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001546023095 1067082214 /nfs/dbraw/zinc/08/22/14/1067082214.db2.gz WCJNPMUTRNQCHX-RVKKMQEKSA-N 0 0 458.500 4.743 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001546023084 1067082287 /nfs/dbraw/zinc/08/22/87/1067082287.db2.gz VOCYFEMHLOSJPR-BBWFWOEESA-N 0 0 453.052 4.953 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C)c1)NC(=O)OC(C)(C)C ZINC001545786378 1067082361 /nfs/dbraw/zinc/08/23/61/1067082361.db2.gz NSUGRVBMCVFUOS-OAQYLSRUSA-N 0 0 471.646 4.810 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545786232 1067082392 /nfs/dbraw/zinc/08/23/92/1067082392.db2.gz KYXRIRWPLOTCAV-XQBPLPMBSA-N 0 0 499.656 4.966 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(OC2CCCC2)CC1 ZINC001546023100 1067082507 /nfs/dbraw/zinc/08/25/07/1067082507.db2.gz WDYZLFBEXKMHMN-UHFFFAOYSA-N 0 0 494.478 4.525 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)c(OC)c1 ZINC001458531964 1067082745 /nfs/dbraw/zinc/08/27/45/1067082745.db2.gz SKSOPMIMKFPUOK-BJKOFHAPSA-N 0 0 450.579 4.626 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)SC ZINC001545786611 1067082758 /nfs/dbraw/zinc/08/27/58/1067082758.db2.gz SQNPEUQYCQKDAV-RTBURBONSA-N 0 0 481.707 4.540 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545786659 1067082856 /nfs/dbraw/zinc/08/28/56/1067082856.db2.gz UEXVCIYJMRIXQA-IBGZPJMESA-N 0 0 493.693 4.649 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546101860 1067083053 /nfs/dbraw/zinc/08/30/53/1067083053.db2.gz NFKXRSRZJNSLMO-DNVKUUNQSA-N 0 0 474.671 4.645 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)SC ZINC001545787953 1067083112 /nfs/dbraw/zinc/08/31/12/1067083112.db2.gz CLPBMJWFTYFRQY-LJQANCHMSA-N 0 0 475.678 4.623 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2cccc(F)c2)CCO1 ZINC001546101827 1067083213 /nfs/dbraw/zinc/08/32/13/1067083213.db2.gz MLKYXFFBMFXZHZ-DUWWHKKTSA-N 0 0 474.621 4.809 20 0 JJADRN Cc1cccc(CSCC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450467494 1067083231 /nfs/dbraw/zinc/08/32/31/1067083231.db2.gz FOVGXLASMFATOP-ZEQRLZLVSA-N 0 0 452.620 4.782 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(CC)(CC)C1 ZINC001546023171 1067083246 /nfs/dbraw/zinc/08/32/46/1067083246.db2.gz YAGWVRVCMKVIEC-UHFFFAOYSA-N 0 0 484.508 4.709 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)SC ZINC001545788200 1067083504 /nfs/dbraw/zinc/08/35/04/1067083504.db2.gz MJOOCBRIUOGDNS-IBGZPJMESA-N 0 0 491.061 4.713 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450474460 1067083751 /nfs/dbraw/zinc/08/37/51/1067083751.db2.gz OMROUXVOKIHDJA-DQEYMECFSA-N 0 0 450.579 4.779 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CSc1ccc(C)cc1C)c1ccc(Br)cc1 ZINC001458537124 1067083925 /nfs/dbraw/zinc/08/39/25/1067083925.db2.gz TXIYFWKQXYZBIG-SFHVURJKSA-N 0 0 450.398 4.969 20 0 JJADRN O=C(CCOc1ccccc1Cl)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450477877 1067084206 /nfs/dbraw/zinc/08/42/06/1067084206.db2.gz UBAIBCWMPIEDDW-RBBKRZOGSA-N 0 0 456.970 4.662 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545788227 1067084215 /nfs/dbraw/zinc/08/42/15/1067084215.db2.gz NLLUCQDIMARVNZ-HXUWFJFHSA-N 0 0 457.688 4.888 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1)SC ZINC001545788232 1067084328 /nfs/dbraw/zinc/08/43/28/1067084328.db2.gz NODIQAVEKUGRDL-FQEVSTJZSA-N 0 0 478.106 4.797 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001458540301 1067084731 /nfs/dbraw/zinc/08/47/31/1067084731.db2.gz GBNVRQYOCSZICS-UHFFFAOYSA-N 0 0 457.502 4.781 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001450495119 1067085026 /nfs/dbraw/zinc/08/50/26/1067085026.db2.gz SCDOSDIHZTUHKI-IBGZPJMESA-N 0 0 455.382 4.569 20 0 JJADRN Oc1ccc(CN2CCN(c3nc(C(F)(F)F)c(Br)s3)CC2)cc1Cl ZINC001458543715 1067085156 /nfs/dbraw/zinc/08/51/56/1067085156.db2.gz GQEPYRRFDGITBV-UHFFFAOYSA-N 0 0 456.715 4.606 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ncnc2ccc(Br)cc21 ZINC001458543561 1067085283 /nfs/dbraw/zinc/08/52/83/1067085283.db2.gz QJOQLGQTELWREC-CQSZACIVSA-N 0 0 457.155 4.575 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCOCC1 ZINC001545788753 1067085487 /nfs/dbraw/zinc/08/54/87/1067085487.db2.gz GRZBWGDXFZWAPD-CQSZACIVSA-N 0 0 457.398 4.588 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1 ZINC001458546782 1067085581 /nfs/dbraw/zinc/08/55/81/1067085581.db2.gz ZDTOCDCKGTYECR-IBGZPJMESA-N 0 0 456.587 4.715 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545789667 1067086010 /nfs/dbraw/zinc/08/60/10/1067086010.db2.gz OXJQJFKBVVSWDK-QFIPXVFZSA-N 0 0 492.693 4.675 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)Cc3c(F)ccc(Br)c3F)CC2)cc1 ZINC001450524452 1067086057 /nfs/dbraw/zinc/08/60/57/1067086057.db2.gz NZTKRHVCSFIGIO-UHFFFAOYSA-N 0 0 451.355 4.738 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450529760 1067086398 /nfs/dbraw/zinc/08/63/98/1067086398.db2.gz RCUNJCFHYXNFBI-NRFANRHFSA-N 0 0 459.974 4.679 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(c2cc(-c3ccccc3)nc3ncnn32)C1 ZINC001458550122 1067086417 /nfs/dbraw/zinc/08/64/17/1067086417.db2.gz PFDGEQBERININY-RUZDIDTESA-N 0 0 450.587 4.559 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545789674 1067086600 /nfs/dbraw/zinc/08/66/00/1067086600.db2.gz PAXKNZFHCYNSPW-HXUWFJFHSA-N 0 0 494.640 4.934 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545789676 1067086765 /nfs/dbraw/zinc/08/67/65/1067086765.db2.gz PDYCDDNSMGSZDO-PMACEKPBSA-N 0 0 470.662 4.830 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001545789795 1067086798 /nfs/dbraw/zinc/08/67/98/1067086798.db2.gz UCMMSEUDVDNMCH-NRFANRHFSA-N 0 0 470.662 4.972 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC001458552082 1067086838 /nfs/dbraw/zinc/08/68/38/1067086838.db2.gz YIZWYHXHFKEVBO-SFHVURJKSA-N 0 0 452.624 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC001450532772 1067086960 /nfs/dbraw/zinc/08/69/60/1067086960.db2.gz KSXFTENTOMSCCM-NXWXRZEISA-N 0 0 451.405 4.895 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cc(Br)ccc2F)cc1 ZINC001450533846 1067087034 /nfs/dbraw/zinc/08/70/34/1067087034.db2.gz MSFSPPXVVUIALP-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1)OC ZINC001545789897 1067087215 /nfs/dbraw/zinc/08/72/15/1067087215.db2.gz XNDOEABAUGYXTO-FQEVSTJZSA-N 0 0 473.618 4.556 20 0 JJADRN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)[C@@H]1CCCCN1Cc1ccncc1 ZINC001450537173 1067087382 /nfs/dbraw/zinc/08/73/82/1067087382.db2.gz CATZMKMAYJBTKY-SFHVURJKSA-N 0 0 457.397 4.961 20 0 JJADRN COc1cc2cc(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)[nH]c2c(OC)c1OC ZINC001450538108 1067087445 /nfs/dbraw/zinc/08/74/45/1067087445.db2.gz YTUQXPXZJXKBCR-SAZUREKKSA-N 0 0 459.340 4.632 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC001450536697 1067087610 /nfs/dbraw/zinc/08/76/10/1067087610.db2.gz DBUDZGPJXIPPIT-FDDCHVKYSA-N 0 0 455.352 4.563 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CCc2ccsc2)CCO1 ZINC001546102111 1067087693 /nfs/dbraw/zinc/08/76/93/1067087693.db2.gz RKMVXIWBBJSTOR-HSZRJFAPSA-N 0 0 458.653 4.889 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)SC ZINC001545791045 1067087835 /nfs/dbraw/zinc/08/78/35/1067087835.db2.gz FVHNCRHXOXWEAH-UHFFFAOYSA-N 0 0 474.719 4.860 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC001450538856 1067087870 /nfs/dbraw/zinc/08/78/70/1067087870.db2.gz ZULDRADWJXMMAG-UHFFFAOYSA-N 0 0 458.374 4.995 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC001458560892 1067087908 /nfs/dbraw/zinc/08/79/08/1067087908.db2.gz FRIRNSJEGPGAMU-HNNXBMFYSA-N 0 0 450.276 4.808 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCSC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545791067 1067087913 /nfs/dbraw/zinc/08/79/13/1067087913.db2.gz GQBSCVZKVZMSKT-KRWDZBQOSA-N 0 0 479.716 4.956 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001545791184 1067088442 /nfs/dbraw/zinc/08/84/42/1067088442.db2.gz KBUXJDFFNBKRNF-UHFFFAOYSA-N 0 0 491.558 4.903 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)SC ZINC001545791397 1067088773 /nfs/dbraw/zinc/08/87/73/1067088773.db2.gz QWKQDAYXYLASLA-GOSISDBHSA-N 0 0 475.707 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N[C@@H](CCO)c3ccc(Cl)cc3)cc2C1 ZINC001450545306 1067088823 /nfs/dbraw/zinc/08/88/23/1067088823.db2.gz QFVJRERZDKOGQV-KRWDZBQOSA-N 0 0 450.988 4.548 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC001458569020 1067088959 /nfs/dbraw/zinc/08/89/59/1067088959.db2.gz WCOYSXSXXWTDFQ-PMACEKPBSA-N 0 0 451.523 4.675 20 0 JJADRN COc1ncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1Cl ZINC001458568899 1067088975 /nfs/dbraw/zinc/08/89/75/1067088975.db2.gz SYWBNTATNLAFGH-HXUWFJFHSA-N 0 0 455.942 4.893 20 0 JJADRN CC(C)Oc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])[NH+](C)C)cc1 ZINC001450543113 1067089132 /nfs/dbraw/zinc/08/91/32/1067089132.db2.gz MGQMUMXFCBMZOW-HSZRJFAPSA-N 0 0 450.583 4.521 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)SC ZINC001545791531 1067089280 /nfs/dbraw/zinc/08/92/80/1067089280.db2.gz WLNXNUBGSFRGJS-SFHVURJKSA-N 0 0 492.740 4.898 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cccc(F)c2)C1)OC ZINC001545791600 1067089579 /nfs/dbraw/zinc/08/95/79/1067089579.db2.gz ZLZYDYATYQOIAE-LJQANCHMSA-N 0 0 457.619 4.972 20 0 JJADRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458569667 1067089657 /nfs/dbraw/zinc/08/96/57/1067089657.db2.gz ZNXHAUJKIWYZII-VXGBXAGGSA-N 0 0 452.782 4.860 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N(C)c3cccc4ncccc43)n2)cc(Cl)c1OC ZINC001458573400 1067089819 /nfs/dbraw/zinc/08/98/19/1067089819.db2.gz WXDAGKRGPYSKST-UHFFFAOYSA-N 0 0 452.898 4.551 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CC[C@@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545791578 1067089839 /nfs/dbraw/zinc/08/98/39/1067089839.db2.gz YJLJDMWEEKFTOK-HSZRJFAPSA-N 0 0 463.692 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)C[C@@H]1[C@H]1CCCO1 ZINC001545792326 1067090066 /nfs/dbraw/zinc/09/00/66/1067090066.db2.gz WODJAOINOHERCP-IPMKNSEASA-N 0 0 457.596 4.943 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)CCO1 ZINC001546102203 1067090424 /nfs/dbraw/zinc/09/04/24/1067090424.db2.gz TYSLTXUGZDIQLP-NRFANRHFSA-N 0 0 451.354 4.811 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001450552797 1067090628 /nfs/dbraw/zinc/09/06/28/1067090628.db2.gz YDFGUPUNCOSXLZ-TZIWHRDSSA-N 0 0 451.828 4.882 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@H]1C(F)(F)F ZINC001458582146 1067090741 /nfs/dbraw/zinc/09/07/41/1067090741.db2.gz RRUNTWDTRRCHSO-GOEBONIOSA-N 0 0 456.896 4.936 20 0 JJADRN CN(C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001450554006 1067091113 /nfs/dbraw/zinc/09/11/13/1067091113.db2.gz SXTJNHBKKJISEK-UHFFFAOYSA-N 0 0 452.338 4.872 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC001545792902 1067091152 /nfs/dbraw/zinc/09/11/52/1067091152.db2.gz PZZXJILEWNCZCE-UHFFFAOYSA-N 0 0 473.666 4.602 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCC[C@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC001458589312 1067091159 /nfs/dbraw/zinc/09/11/59/1067091159.db2.gz DMDVRXDVCKAXHO-XCBNKYQSSA-N 0 0 454.152 4.617 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)c1c(F)cccc1F ZINC001458588205 1067091297 /nfs/dbraw/zinc/09/12/97/1067091297.db2.gz BIUBWKALTZKFME-JXFKEZNVSA-N 0 0 450.913 4.503 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001450562820 1067091358 /nfs/dbraw/zinc/09/13/58/1067091358.db2.gz WLBVWHKNSCLYMV-UHFFFAOYSA-N 0 0 454.399 4.825 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001546024254 1067091823 /nfs/dbraw/zinc/09/18/23/1067091823.db2.gz YWLXUZHFKIWYAD-QHCPKHFHSA-N 0 0 458.389 4.968 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[C@](CO)(C(C)C)C1 ZINC001450564984 1067091961 /nfs/dbraw/zinc/09/19/61/1067091961.db2.gz ZSIIQCPQAJJNMG-NRFANRHFSA-N 0 0 457.562 4.814 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)C[C@@H](C)O1 ZINC001458593476 1067091833 /nfs/dbraw/zinc/09/18/33/1067091833.db2.gz MOXPPDHTWDTEBL-SJBKTWHCSA-N 0 0 457.014 4.880 20 0 JJADRN CCCc1nc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)nn1-c1ccccc1F ZINC001458590836 1067091901 /nfs/dbraw/zinc/09/19/01/1067091901.db2.gz HMOYIGPKGBZKHD-QGZVFWFLSA-N 0 0 456.949 4.944 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)SC ZINC001545793153 1067092028 /nfs/dbraw/zinc/09/20/28/1067092028.db2.gz XPOHNLUQHRPNGZ-ICSRJNTNSA-N 0 0 474.627 4.510 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546102255 1067092124 /nfs/dbraw/zinc/09/21/24/1067092124.db2.gz UXRDUIIQZKFOMY-PXAQALGRSA-N 0 0 496.077 4.817 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@H](COc4ccccc4Cl)C3)c(C)c12 ZINC001458594760 1067092261 /nfs/dbraw/zinc/09/22/61/1067092261.db2.gz QQVSUCSFXJATDR-IBGZPJMESA-N 0 0 455.002 4.797 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C)SC ZINC001545793225 1067092240 /nfs/dbraw/zinc/09/22/40/1067092240.db2.gz ZZXLNUWCQFCOBS-PZJWPPBQSA-N 0 0 455.672 4.705 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001545794070 1067092256 /nfs/dbraw/zinc/09/22/56/1067092256.db2.gz UDYGMCCCSFGLKX-HNNXBMFYSA-N 0 0 458.868 4.836 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001458593833 1067092306 /nfs/dbraw/zinc/09/23/06/1067092306.db2.gz YOEXGSCUUCNXFD-UHFFFAOYSA-N 0 0 458.628 4.740 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001546024355 1067092362 /nfs/dbraw/zinc/09/23/62/1067092362.db2.gz BWFMGSNHIVGSNL-LAUBAEHRSA-N 0 0 456.612 4.533 20 0 JJADRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001450589284 1067092407 /nfs/dbraw/zinc/09/24/07/1067092407.db2.gz NGAHPZUMKGVWDM-HOTGVXAUSA-N 0 0 452.523 4.596 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC001450593355 1067092658 /nfs/dbraw/zinc/09/26/58/1067092658.db2.gz FWAAMKPPQVMHIL-LIRRHRJNSA-N 0 0 451.336 4.716 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1)SC ZINC001545794577 1067092914 /nfs/dbraw/zinc/09/29/14/1067092914.db2.gz HXPZXHASYBPRSU-KRWDZBQOSA-N 0 0 481.062 4.822 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)OC ZINC001545794553 1067092930 /nfs/dbraw/zinc/09/29/30/1067092930.db2.gz HAEFGFRSXMJPKS-FQEVSTJZSA-N 0 0 497.606 4.752 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001458599543 1067092934 /nfs/dbraw/zinc/09/29/34/1067092934.db2.gz YUVJLLLJDXZJKX-OAHLLOKOSA-N 0 0 455.440 4.591 20 0 JJADRN Cn1cnnc1-c1cncc(NC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 ZINC001458605570 1067093478 /nfs/dbraw/zinc/09/34/78/1067093478.db2.gz HZUIFGCPAKVDRF-FQEVSTJZSA-N 0 0 454.317 4.943 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCC3CCN(CC(F)F)CC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001450596153 1067093334 /nfs/dbraw/zinc/09/33/34/1067093334.db2.gz IPNYNNWJTGYUEX-UHFFFAOYSA-N 0 0 459.541 4.596 20 0 JJADRN COc1ccc(C[C@](C)(O)CNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1OC ZINC001450601521 1067093663 /nfs/dbraw/zinc/09/36/63/1067093663.db2.gz VWUGHFQTSXNERA-NRFANRHFSA-N 0 0 454.375 4.949 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccc(OC)cc1 ZINC001458606645 1067093711 /nfs/dbraw/zinc/09/37/11/1067093711.db2.gz ZNJZSGZGJDDQAQ-HXOBKFHXSA-N 0 0 458.942 4.796 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCCC2)C1)OC ZINC001545795066 1067094636 /nfs/dbraw/zinc/09/46/36/1067094636.db2.gz WGBHTZBOIKCVAH-UHFFFAOYSA-N 0 0 472.630 4.610 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611850 1067094942 /nfs/dbraw/zinc/09/49/42/1067094942.db2.gz YQYBYDZXIYEDLH-AWEZNQCLSA-N 0 0 452.404 4.973 20 0 JJADRN C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001458611388 1067094960 /nfs/dbraw/zinc/09/49/60/1067094960.db2.gz WAHAWBKJAGLMPW-AWEZNQCLSA-N 0 0 453.029 4.805 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H]2CSC)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545795145 1067094869 /nfs/dbraw/zinc/09/48/69/1067094869.db2.gz ZMOFGGIXBWZENH-QGZVFWFLSA-N 0 0 453.697 4.991 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1 ZINC001450608635 1067094906 /nfs/dbraw/zinc/09/49/06/1067094906.db2.gz MLSQAQOWBIISGX-OAQYLSRUSA-N 0 0 455.904 4.914 20 0 JJADRN O=C(CCCOc1ccc(F)cc1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450608938 1067095051 /nfs/dbraw/zinc/09/50/51/1067095051.db2.gz NUPSMZMDOBJPCE-JTSKRJEESA-N 0 0 450.348 4.719 20 0 JJADRN O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450611030 1067095445 /nfs/dbraw/zinc/09/54/45/1067095445.db2.gz QUMQRVCEJONGMW-NFXUCOAQSA-N 0 0 458.396 4.717 20 0 JJADRN C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458613031 1067095839 /nfs/dbraw/zinc/09/58/39/1067095839.db2.gz GGFHZRAQMXQAEJ-NSHDSACASA-N 0 0 454.832 4.864 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)OC ZINC001545796347 1067095873 /nfs/dbraw/zinc/09/58/73/1067095873.db2.gz BSWAQQVMLJTRHC-UXHICEINSA-N 0 0 480.556 4.514 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450611734 1067095960 /nfs/dbraw/zinc/09/59/60/1067095960.db2.gz UEKKRYSOJMKASL-DYVFJYSZSA-N 0 0 457.162 4.699 20 0 JJADRN O=C(c1cccn1Cc1cccs1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450611370 1067096105 /nfs/dbraw/zinc/09/61/05/1067096105.db2.gz VPYWSZJSNFBRKE-LJQANCHMSA-N 0 0 456.917 4.859 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)OC ZINC001545796600 1067096179 /nfs/dbraw/zinc/09/61/79/1067096179.db2.gz JVOMTSJANPODGY-UXHICEINSA-N 0 0 466.985 4.705 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1)SC ZINC001545796733 1067096626 /nfs/dbraw/zinc/09/66/26/1067096626.db2.gz NQZHPNQLZNNVOL-IEBWSBKVSA-N 0 0 473.678 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001450620618 1067096640 /nfs/dbraw/zinc/09/66/40/1067096640.db2.gz GPFJDNQQWXEGBE-CFEOAZKQSA-N 0 0 450.579 4.781 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)CCO1 ZINC001546102415 1067096968 /nfs/dbraw/zinc/09/69/68/1067096968.db2.gz XUCZSCUSYAZFBN-VXKWHMMOSA-N 0 0 451.036 4.802 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCc2c(cccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545796845 1067097068 /nfs/dbraw/zinc/09/70/68/1067097068.db2.gz QXQGOAQLANJDRV-JOCHJYFZSA-N 0 0 499.656 4.784 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc1 ZINC001450628186 1067097048 /nfs/dbraw/zinc/09/70/48/1067097048.db2.gz RLURDHDVXLQPMC-GOSISDBHSA-N 0 0 458.864 4.517 20 0 JJADRN Cc1c(CC(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)nnn1-c1ccc(C)cc1 ZINC001458621531 1067097090 /nfs/dbraw/zinc/09/70/90/1067097090.db2.gz ZZKZVEVIQJSJNW-OAHLLOKOSA-N 0 0 457.456 4.637 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(F)F)C1)NC(=O)OC(C)(C)C ZINC001545796792 1067097151 /nfs/dbraw/zinc/09/71/51/1067097151.db2.gz PQACEKAPTNRNGJ-DLBZAZTESA-N 0 0 471.593 4.695 20 0 JJADRN CCC(CC)(Cn1c(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)OC ZINC001545796905 1067097194 /nfs/dbraw/zinc/09/71/94/1067097194.db2.gz SBFDNMCNYMQVGP-IBGZPJMESA-N 0 0 466.573 4.960 20 0 JJADRN O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001450628102 1067097161 /nfs/dbraw/zinc/09/71/61/1067097161.db2.gz VDQFMCAZPKHLPK-VQTJNVASSA-N 0 0 453.420 4.960 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545797905 1067097401 /nfs/dbraw/zinc/09/74/01/1067097401.db2.gz BWWOWTHTVGJPII-ISKFKSNPSA-N 0 0 467.662 4.780 20 0 JJADRN O=C(c1ncccc1NCC1CCC1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450630841 1067097692 /nfs/dbraw/zinc/09/76/92/1067097692.db2.gz WYFKJQZORWFPAN-IBGZPJMESA-N 0 0 455.908 4.555 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001546024595 1067097794 /nfs/dbraw/zinc/09/77/94/1067097794.db2.gz KISNVMVWYBMAKN-HXUWFJFHSA-N 0 0 477.447 4.654 20 0 JJADRN CCC(CC)(Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cc(Br)c[nH]1)OC ZINC001545796990 1067097714 /nfs/dbraw/zinc/09/77/14/1067097714.db2.gz VFJBPPJDRMXXNN-OAHLLOKOSA-N 0 0 484.349 4.761 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1)OC ZINC001545797945 1067097880 /nfs/dbraw/zinc/09/78/80/1067097880.db2.gz CJGWULWUJSVDDT-FQEVSTJZSA-N 0 0 498.455 4.982 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCOC(C)(C)C ZINC001546024634 1067098105 /nfs/dbraw/zinc/09/81/05/1067098105.db2.gz LWPZZPHXYKXNPL-UHFFFAOYSA-N 0 0 483.451 4.519 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001546024664 1067098554 /nfs/dbraw/zinc/09/85/54/1067098554.db2.gz MPFICBXPACDFKC-CABCVRRESA-N 0 0 453.400 4.880 20 0 JJADRN C[C@@H](NC(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c2ccccc21 ZINC001450644600 1067098595 /nfs/dbraw/zinc/09/85/95/1067098595.db2.gz GXMSKWUKMJBJTC-PUAOIOHZSA-N 0 0 455.530 4.702 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)OC ZINC001545798179 1067098702 /nfs/dbraw/zinc/09/87/02/1067098702.db2.gz GYBKAHFWLMSFLA-FCHUYYIVSA-N 0 0 474.049 4.641 20 0 JJADRN CC[C@@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1cccc(Br)c1 ZINC001458629039 1067098976 /nfs/dbraw/zinc/09/89/76/1067098976.db2.gz TZORPKGULUAAIX-GOSISDBHSA-N 0 0 454.386 4.624 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c2ccccc21 ZINC001450647026 1067098926 /nfs/dbraw/zinc/09/89/26/1067098926.db2.gz MJRIJGHQGNOTIM-VBKZILBWSA-N 0 0 455.327 4.972 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC(C)(C)C1)OC ZINC001545798253 1067099233 /nfs/dbraw/zinc/09/92/33/1067099233.db2.gz IBXVTEUWSODZHB-OXQOHEQNSA-N 0 0 496.494 4.891 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1)OC ZINC001545798249 1067099268 /nfs/dbraw/zinc/09/92/68/1067099268.db2.gz IAMNAEDCSSTMSS-JOCHJYFZSA-N 0 0 477.049 4.826 20 0 JJADRN 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CCC(CC)[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1)OC ZINC001545798523 1067101160 /nfs/dbraw/zinc/10/11/60/1067101160.db2.gz MHCYQTQCJSRUBI-SIKLNZKXSA-N 0 0 482.467 4.882 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1C[S@](C)=O ZINC001458656305 1067101158 /nfs/dbraw/zinc/10/11/58/1067101158.db2.gz GRNNZARSAOIHMC-LJAQVGFWSA-N 0 0 450.391 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC001450671742 1067101188 /nfs/dbraw/zinc/10/11/88/1067101188.db2.gz ITOYKQSKPDVBLW-MGPUTAFESA-N 0 0 457.398 4.977 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)C1(C)C ZINC001450670140 1067101290 /nfs/dbraw/zinc/10/12/90/1067101290.db2.gz IFZVXBXLQFJABF-QFBILLFUSA-N 0 0 459.587 4.714 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC(CCCO)CC1)c1cccc(Cl)c1Cl ZINC001546102565 1067101831 /nfs/dbraw/zinc/10/18/31/1067101831.db2.gz ASJRFAUYKPISGT-LJQANCHMSA-N 0 0 459.414 4.913 20 0 JJADRN 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MELFLZAWLJZEGO-INIZCTEOSA-N 0 0 451.983 4.838 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1)OC ZINC001545799118 1067104200 /nfs/dbraw/zinc/10/42/00/1067104200.db2.gz XCPFDJVBMOPRKD-QHCPKHFHSA-N 0 0 471.621 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)C1 ZINC001450695008 1067104237 /nfs/dbraw/zinc/10/42/37/1067104237.db2.gz UFTNPIQRXVVBIE-MRXNPFEDSA-N 0 0 457.398 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCOCc3ccc(Cl)cc3)cc2C1 ZINC001545799266 1067105067 /nfs/dbraw/zinc/10/50/67/1067105067.db2.gz ADPKOPXAKDPTFZ-UHFFFAOYSA-N 0 0 450.988 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3csc(-c4ccc(O)cc4)n3)CC2)C1 ZINC001450699016 1067105105 /nfs/dbraw/zinc/10/51/05/1067105105.db2.gz WJHYINXGKYXQKJ-SFHVURJKSA-N 0 0 457.596 4.625 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1)OC ZINC001545799207 1067105121 /nfs/dbraw/zinc/10/51/21/1067105121.db2.gz ZDDDUKRTIYOWDV-SIKLNZKXSA-N 0 0 480.028 4.684 20 0 JJADRN 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ZINC001545800177 1067106188 /nfs/dbraw/zinc/10/61/88/1067106188.db2.gz BZLUYSVPSNXSLO-QFIPXVFZSA-N 0 0 461.695 4.689 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)OC ZINC001545800131 1067106264 /nfs/dbraw/zinc/10/62/64/1067106264.db2.gz BLKUKWXYAPTQEN-DNQXCXABSA-N 0 0 491.627 4.966 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccccc2C)C1)OC ZINC001545800326 1067106665 /nfs/dbraw/zinc/10/66/65/1067106665.db2.gz DYJICRIGMWGCRK-XUZZJYLKSA-N 0 0 450.631 4.822 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC001458675747 1067106989 /nfs/dbraw/zinc/10/69/89/1067106989.db2.gz SMDYUEPHOIJIGP-UHFFFAOYSA-N 0 0 456.486 4.890 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001458675957 1067106998 /nfs/dbraw/zinc/10/69/98/1067106998.db2.gz LYZWDOBVJOAXQR-FQEVSTJZSA-N 0 0 455.480 4.550 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001546102726 1067107046 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VCAZJJIJTHMYOF-XLIONFOSSA-N 0 0 459.601 4.850 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1)OC ZINC001545801628 1067109906 /nfs/dbraw/zinc/10/99/06/1067109906.db2.gz ZJGKVWURCIQSNE-SHQCIBLASA-N 0 0 481.616 4.727 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)OC ZINC001545801573 1067109944 /nfs/dbraw/zinc/10/99/44/1067109944.db2.gz YOANDNKWTHIWIM-GOTSBHOMSA-N 0 0 487.048 4.751 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)OC ZINC001545801568 1067109988 /nfs/dbraw/zinc/10/99/88/1067109988.db2.gz YNFICZFTPCPCJC-DENIHFKCSA-N 0 0 491.474 4.949 20 0 JJADRN CO[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc(Br)s1 ZINC001458688409 1067110070 /nfs/dbraw/zinc/11/00/70/1067110070.db2.gz DYKPURGTBPHXKQ-OAHLLOKOSA-N 0 0 458.175 4.758 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl ZINC001458689296 1067110151 /nfs/dbraw/zinc/11/01/51/1067110151.db2.gz JLONKTWXEQNWHS-UHFFFAOYSA-N 0 0 457.379 4.819 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CCC2)C1)OC ZINC001545801646 1067110506 /nfs/dbraw/zinc/11/05/06/1067110506.db2.gz ZTQKLHPJEKPPIP-HSZRJFAPSA-N 0 0 476.612 4.995 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 ZINC001450724588 1067110894 /nfs/dbraw/zinc/11/08/94/1067110894.db2.gz SLGWWGZUIYQDBH-RUZDIDTESA-N 0 0 453.602 4.892 20 0 JJADRN Cc1noc(-c2ccc(CNC(=O)c3cc(Br)cc(Br)c3)cc2)n1 ZINC001458696961 1067111447 /nfs/dbraw/zinc/11/14/47/1067111447.db2.gz XAMHNELMMPAXJC-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN CCc1c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)nnn1-c1cccc(Cl)c1 ZINC001458697272 1067111527 /nfs/dbraw/zinc/11/15/27/1067111527.db2.gz ZKSFFBXEGKJMKE-UHFFFAOYSA-N 0 0 458.747 4.657 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccc(OC)cc12)NC(=O)OC(C)(C)C ZINC001450729689 1067111581 /nfs/dbraw/zinc/11/15/81/1067111581.db2.gz NXXFFSKYPFMKOK-QHCPKHFHSA-N 0 0 451.567 4.664 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)c(C(F)(F)F)n1 ZINC001458710869 1067112844 /nfs/dbraw/zinc/11/28/44/1067112844.db2.gz QGDJTHXELSEERE-UHFFFAOYSA-N 0 0 452.315 4.946 20 0 JJADRN COC(=O)[C@H](CC(F)(F)F)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001458711034 1067113015 /nfs/dbraw/zinc/11/30/15/1067113015.db2.gz QURNUTUCNAPKLD-ZDUSSCGKSA-N 0 0 454.495 4.691 20 0 JJADRN CN(C)c1cc(C(F)(F)F)nc(N2CCC(OCc3ccc(Br)cc3)CC2)n1 ZINC001458712702 1067113622 /nfs/dbraw/zinc/11/36/22/1067113622.db2.gz KFBCSKKODKQHAM-UHFFFAOYSA-N 0 0 459.310 4.510 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(c1cc(Cl)nc([C@H]3CCCO3)n1)CC2 ZINC001458712642 1067113627 /nfs/dbraw/zinc/11/36/27/1067113627.db2.gz KCZKIXNISSRHQK-DLBZAZTESA-N 0 0 451.011 4.893 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C)OC ZINC001545803740 1067114063 /nfs/dbraw/zinc/11/40/63/1067114063.db2.gz TWPQZHFIXZGXGX-FTRWYGJKSA-N 0 0 451.706 4.805 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3c4ccccc4CCC[C@@H]3C)CC2)c(C)c1 ZINC001458716405 1067114244 /nfs/dbraw/zinc/11/42/44/1067114244.db2.gz PYSBMAIBPDBUAA-DFBJGRDBSA-N 0 0 454.636 4.534 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccccc2NCc2cccnc2)CC1 ZINC001450743398 1067114305 /nfs/dbraw/zinc/11/43/05/1067114305.db2.gz KDJADPFFZYZWDR-MXVIHJGJSA-N 0 0 452.599 4.755 20 0 JJADRN CC1(C)C[C@@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c2ccc(F)cc2O1 ZINC001546025653 1067114355 /nfs/dbraw/zinc/11/43/55/1067114355.db2.gz OTSKBPRIDKLIDH-DOTOQJQBSA-N 0 0 451.325 4.904 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@H]1C)OC ZINC001545803919 1067114713 /nfs/dbraw/zinc/11/47/13/1067114713.db2.gz XCAQKXFTERTUIN-CWJKEVGVSA-N 0 0 452.709 4.980 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001450743643 1067115059 /nfs/dbraw/zinc/11/50/59/1067115059.db2.gz KSJUAHTXXXXWKE-SHTZXODSSA-N 0 0 457.384 4.958 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccccc2C)C1)OC ZINC001545804070 1067115505 /nfs/dbraw/zinc/11/55/05/1067115505.db2.gz ZKIJPWDTOXHYKI-VXNXHJTFSA-N 0 0 456.631 4.857 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccccc2C)C1)OC ZINC001545804069 1067115540 /nfs/dbraw/zinc/11/55/40/1067115540.db2.gz ZKIJPWDTOXHYKI-SMIHKQSGSA-N 0 0 456.631 4.857 20 0 JJADRN C[C@]1(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)CCO[C@H]1C1CC1 ZINC001458720306 1067115640 /nfs/dbraw/zinc/11/56/40/1067115640.db2.gz JQABSEGZWQTWNH-FUHWJXTLSA-N 0 0 457.162 4.893 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@H](CCC)C3)ccc2C)cc1 ZINC001545804436 1067116143 /nfs/dbraw/zinc/11/61/43/1067116143.db2.gz OKKFLFQOQVSZRF-HSZRJFAPSA-N 0 0 458.624 4.780 20 0 JJADRN CC[C@H](CNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001450751372 1067116387 /nfs/dbraw/zinc/11/63/87/1067116387.db2.gz HMYNIKRQADGSKQ-WOJBJXKFSA-N 0 0 450.579 4.579 20 0 JJADRN CCN(C(=O)[C@H](C)Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)C1CCCCC1 ZINC001458722445 1067116938 /nfs/dbraw/zinc/11/69/38/1067116938.db2.gz BMRDAYNOWMBCPQ-HNNXBMFYSA-N 0 0 456.637 4.501 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC001458721908 1067117010 /nfs/dbraw/zinc/11/70/10/1067117010.db2.gz COAIGBYODPQGML-MBSDFSHPSA-N 0 0 451.954 4.616 20 0 JJADRN CCCCCCn1c2ccccc2nc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC001458721995 1067117015 /nfs/dbraw/zinc/11/70/15/1067117015.db2.gz HKSFOPGMMMCECR-UHFFFAOYSA-N 0 0 456.637 4.997 20 0 JJADRN CCSc1cccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1 ZINC001450759064 1067117035 /nfs/dbraw/zinc/11/70/35/1067117035.db2.gz MWMQLKPGKGBFDL-QHCPKHFHSA-N 0 0 456.633 4.571 20 0 JJADRN COC[C@@H](NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC001546025959 1067117561 /nfs/dbraw/zinc/11/75/61/1067117561.db2.gz YBIHLSLXQSPXDH-XMMPIXPASA-N 0 0 450.579 4.625 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)[C@@H](O)c1ccccc1 ZINC001450761816 1067117651 /nfs/dbraw/zinc/11/76/51/1067117651.db2.gz MBYOINDTYIYTNR-HRAATJIYSA-N 0 0 454.452 4.534 20 0 JJADRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001450772803 1067118256 /nfs/dbraw/zinc/11/82/56/1067118256.db2.gz LUILOLMEGNMAPY-NIRIFSCTSA-N 0 0 481.612 4.589 20 0 JJADRN CCOc1ccc(-n2c(SCc3cc(Br)no3)nnc2-c2cccnc2)cc1 ZINC001458724886 1067118294 /nfs/dbraw/zinc/11/82/94/1067118294.db2.gz DMZKEKOZBYUOPI-UHFFFAOYSA-N 0 0 458.341 4.771 20 0 JJADRN CCOC(CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)OCC ZINC001458724190 1067118314 /nfs/dbraw/zinc/11/83/14/1067118314.db2.gz BCVSNKULFFSVIR-UHFFFAOYSA-N 0 0 457.987 4.810 20 0 JJADRN COc1cc(-c2nnc(SC[C@@H]3CCO[C@H]3C)n2-c2ccccc2F)cc(OC)c1OC ZINC001458726359 1067118661 /nfs/dbraw/zinc/11/86/61/1067118661.db2.gz JRFRKZPGQVZVHK-GJZGRUSLSA-N 0 0 459.543 4.616 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C ZINC001450778606 1067119835 /nfs/dbraw/zinc/11/98/35/1067119835.db2.gz FDHPSWLMRSFALM-UHFFFAOYSA-N 0 0 454.571 4.519 20 0 JJADRN C[C@@H](SCC(=O)NCCc1c[nH]c2cccc(Br)c12)c1nc2ccccc2[nH]1 ZINC001450779521 1067119848 /nfs/dbraw/zinc/11/98/48/1067119848.db2.gz JSEBGSRKHUJSTG-CYBMUJFWSA-N 0 0 457.397 4.960 20 0 JJADRN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)no1 ZINC001450777642 1067119850 /nfs/dbraw/zinc/11/98/50/1067119850.db2.gz YDQICIIYBAGHDB-HNNXBMFYSA-N 0 0 451.552 4.654 20 0 JJADRN COc1ccc(/C=C2\N=C(SCC[C@H]3CCCC3=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458727548 1067120145 /nfs/dbraw/zinc/12/01/45/1067120145.db2.gz KMJPJOSUJRCEDN-OSVNEOKWSA-N 0 0 450.560 4.940 20 0 JJADRN CCc1sc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)cc1Br ZINC001458728324 1067120190 /nfs/dbraw/zinc/12/01/90/1067120190.db2.gz KOGLLGJJDJTBQF-YOEHRIQHSA-N 0 0 450.398 4.855 20 0 JJADRN Cc1c(C(=O)NCCc2c[nH]c3cccc(Br)c23)cnn1-c1ccc(F)cc1F ZINC001450781519 1067120273 /nfs/dbraw/zinc/12/02/73/1067120273.db2.gz MBIVJVQYVOOOSQ-UHFFFAOYSA-N 0 0 459.294 4.675 20 0 JJADRN CCCNC(=O)CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC001458729323 1067121055 /nfs/dbraw/zinc/12/10/55/1067121055.db2.gz FOBJNLYJTVJSDO-MRXNPFEDSA-N 0 0 455.649 4.971 20 0 JJADRN COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4cccc(Br)c34)[nH]2)c1 ZINC001450785216 1067121235 /nfs/dbraw/zinc/12/12/35/1067121235.db2.gz ROISHOLCZLWIHX-UHFFFAOYSA-N 0 0 453.340 4.610 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001546026222 1067121876 /nfs/dbraw/zinc/12/18/76/1067121876.db2.gz ILFFQEHPUNLHDF-GOSISDBHSA-N 0 0 481.607 4.867 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)c1ccc2ccccc2c1 ZINC001450793849 1067121890 /nfs/dbraw/zinc/12/18/90/1067121890.db2.gz OSFCIGXMXLVAOQ-KRWDZBQOSA-N 0 0 458.392 4.740 20 0 JJADRN CCOC(=O)[C@H](CC)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl ZINC001458730017 1067122125 /nfs/dbraw/zinc/12/21/25/1067122125.db2.gz MICYIIRHSLINGU-IBGZPJMESA-N 0 0 455.971 4.753 20 0 JJADRN CC[C@H](C)[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC ZINC001458729986 1067122198 /nfs/dbraw/zinc/12/21/98/1067122198.db2.gz KBBOHUBPXULNLT-VOJFVSQTSA-N 0 0 452.910 4.997 20 0 JJADRN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccc(C(F)(F)F)cc1 ZINC001458731630 1067122811 /nfs/dbraw/zinc/12/28/11/1067122811.db2.gz JRRCBSATSSAYIX-UHFFFAOYSA-N 0 0 456.873 4.690 20 0 JJADRN Nn1c(SCc2ccc(OCC(F)(F)F)nc2)nnc1-c1ccc(Cl)cc1Cl ZINC001458732252 1067122863 /nfs/dbraw/zinc/12/28/63/1067122863.db2.gz PYUPWVCKLBPXCC-UHFFFAOYSA-N 0 0 450.273 4.594 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)C(C)(C)C ZINC001545806605 1067122868 /nfs/dbraw/zinc/12/28/68/1067122868.db2.gz MFBJFESRAMHZOX-QHCPKHFHSA-N 0 0 450.579 4.671 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC001458732763 1067123531 /nfs/dbraw/zinc/12/35/31/1067123531.db2.gz IWDAAOZBGALFPT-IAGOWNOFSA-N 0 0 456.011 4.980 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CCCOc2cccc3ccccc32)C1=O ZINC001458732834 1067123542 /nfs/dbraw/zinc/12/35/42/1067123542.db2.gz LOHGRRQXFVUOIO-QHCPKHFHSA-N 0 0 453.336 4.838 20 0 JJADRN O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545806771 1067123609 /nfs/dbraw/zinc/12/36/09/1067123609.db2.gz PYGGPZDQAHXKLA-NHCUHLMSSA-N 0 0 456.329 4.709 20 0 JJADRN COc1ccc([C@@H](CCO)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 ZINC001545806929 1067123685 /nfs/dbraw/zinc/12/36/85/1067123685.db2.gz VHORCPRFQCTZLL-LJQANCHMSA-N 0 0 455.967 4.911 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC001458735493 1067124024 /nfs/dbraw/zinc/12/40/24/1067124024.db2.gz TURDPTHPUBVLDV-HFRGRHLUSA-N 0 0 454.636 4.939 20 0 JJADRN C[S@@](=O)CCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F ZINC001458733166 1067124083 /nfs/dbraw/zinc/12/40/83/1067124083.db2.gz PMJCHLJDPWPNIZ-FEBJRPPSSA-N 0 0 457.379 4.988 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC001458735502 1067124730 /nfs/dbraw/zinc/12/47/30/1067124730.db2.gz TURDPTHPUBVLDV-VPHKFGTKSA-N 0 0 454.636 4.939 20 0 JJADRN COc1ccc(-n2c(SCc3cc(=O)c(OC)co3)nnc2-c2ccccc2Cl)cc1 ZINC001458734271 1067124807 /nfs/dbraw/zinc/12/48/07/1067124807.db2.gz QEKDTXCOLBIIEZ-UHFFFAOYSA-N 0 0 455.923 4.850 20 0 JJADRN CN(C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001450812089 1067124954 /nfs/dbraw/zinc/12/49/54/1067124954.db2.gz LKGDASPOZHGTBN-LOSJGSFVSA-N 0 0 458.558 4.913 20 0 JJADRN COCCCn1c(SC[C@H]2CN(c3ccccc3)CCO2)nnc1-c1ccccc1Cl ZINC001458735799 1067125492 /nfs/dbraw/zinc/12/54/92/1067125492.db2.gz VNQIHZVKBYCNBE-LJQANCHMSA-N 0 0 459.015 4.633 20 0 JJADRN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O ZINC001458734509 1067125505 /nfs/dbraw/zinc/12/55/05/1067125505.db2.gz IQFBZTSSDFYJDF-FIKMYACPSA-N 0 0 452.860 4.679 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001546026403 1067125600 /nfs/dbraw/zinc/12/56/00/1067125600.db2.gz NUGLQVBBUIWNMQ-UHFFFAOYSA-N 0 0 469.033 4.650 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001546026451 1067125612 /nfs/dbraw/zinc/12/56/12/1067125612.db2.gz PDRUWPSNFTUMRM-HXUWFJFHSA-N 0 0 454.571 4.756 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001546026441 1067125649 /nfs/dbraw/zinc/12/56/49/1067125649.db2.gz OUKJFQWYCKUMRV-UHFFFAOYSA-N 0 0 452.361 4.974 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001546026382 1067125704 /nfs/dbraw/zinc/12/57/04/1067125704.db2.gz MVTNQZDCUBVCCJ-HXUWFJFHSA-N 0 0 486.016 4.903 20 0 JJADRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450823491 1067126393 /nfs/dbraw/zinc/12/63/93/1067126393.db2.gz CIIPHERWXGIFJZ-TZIWHRDSSA-N 0 0 457.368 4.643 20 0 JJADRN CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2oc(-c3ccccc3)nc2C(F)(F)F)C1 ZINC001458737693 1067127003 /nfs/dbraw/zinc/12/70/03/1067127003.db2.gz ZJHVTZHANIXFCZ-INIZCTEOSA-N 0 0 455.477 4.559 20 0 JJADRN CC(C)N(C)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 ZINC001458738622 1067127419 /nfs/dbraw/zinc/12/74/19/1067127419.db2.gz YIBDEJQIZXMHEE-AWEZNQCLSA-N 0 0 459.612 4.813 20 0 JJADRN CCS(=O)(=O)NCCCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC001458738519 1067127547 /nfs/dbraw/zinc/12/75/47/1067127547.db2.gz XQFGFHUORDVFQZ-UHFFFAOYSA-N 0 0 450.674 4.779 20 0 JJADRN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCCCCCCNC(=O)OC(C)(C)C)C1=O ZINC001458740686 1067128372 /nfs/dbraw/zinc/12/83/72/1067128372.db2.gz OWEHBPQSPYUYFD-HSZRJFAPSA-N 0 0 451.995 4.972 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450833746 1067128352 /nfs/dbraw/zinc/12/83/52/1067128352.db2.gz XKLZMNOQGKJCHK-PYJSORCASA-N 0 0 458.381 4.663 20 0 JJADRN O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001450836337 1067128884 /nfs/dbraw/zinc/12/88/84/1067128884.db2.gz DUHZMWKXGDRZMJ-HSZRJFAPSA-N 0 0 450.579 4.841 20 0 JJADRN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(Br)cc(F)c3F)C2=O)cc1 ZINC001458745921 1067130204 /nfs/dbraw/zinc/13/02/04/1067130204.db2.gz WPUVWXDOOZSOPI-NRFANRHFSA-N 0 0 451.311 4.992 20 0 JJADRN CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccnn1C ZINC001458746592 1067130276 /nfs/dbraw/zinc/13/02/76/1067130276.db2.gz XBLMEPAQQUKGHY-UHFFFAOYSA-N 0 0 452.967 4.871 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001546103194 1067130321 /nfs/dbraw/zinc/13/03/21/1067130321.db2.gz CIDRORVVEMTQFP-FQRUVTKNSA-N 0 0 453.631 4.715 20 0 JJADRN CCCn1c(SCCOC(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC001458748652 1067130901 /nfs/dbraw/zinc/13/09/01/1067130901.db2.gz BVDNZQFLIINFDH-AWEZNQCLSA-N 0 0 451.658 4.809 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1cccc(Cl)n1 ZINC001458748774 1067130997 /nfs/dbraw/zinc/13/09/97/1067130997.db2.gz CIVJLPYMFSPCED-UHFFFAOYSA-N 0 0 451.017 4.572 20 0 JJADRN Cc1cc(CCC(=O)N2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001450843215 1067131022 /nfs/dbraw/zinc/13/10/22/1067131022.db2.gz JNMCOFGPBRCHAW-YJBOKZPZSA-N 0 0 453.421 4.699 20 0 JJADRN CCOc1ccc(OCCSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC001458750641 1067131595 /nfs/dbraw/zinc/13/15/95/1067131595.db2.gz JVMXVMQRJYXMCG-UHFFFAOYSA-N 0 0 456.587 4.962 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001546026756 1067131744 /nfs/dbraw/zinc/13/17/44/1067131744.db2.gz ZWHWOHYCQXMKLU-LJQANCHMSA-N 0 0 463.022 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC001450848194 1067131804 /nfs/dbraw/zinc/13/18/04/1067131804.db2.gz DELNUBMRVFBKNO-JTHBVZDNSA-N 0 0 453.583 4.606 20 0 JJADRN CC(C)OC(=O)OCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC001458752732 1067132110 /nfs/dbraw/zinc/13/21/10/1067132110.db2.gz MCEATACXLQYUIU-UHFFFAOYSA-N 0 0 458.506 4.883 20 0 JJADRN COC(=O)[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1C ZINC001458755163 1067132141 /nfs/dbraw/zinc/13/21/41/1067132141.db2.gz VYVUGABLBPHXSE-JOCHJYFZSA-N 0 0 454.571 4.707 20 0 JJADRN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001458752793 1067132233 /nfs/dbraw/zinc/13/22/33/1067132233.db2.gz PTYMIFZHHFOXIQ-CALCHBBNSA-N 0 0 452.546 4.893 20 0 JJADRN O=C(NCC(=O)N(Cc1ccco1)Cc1ccc(O)cc1)c1sc2ccccc2c1Cl ZINC001450851445 1067132323 /nfs/dbraw/zinc/13/23/23/1067132323.db2.gz SQAPQXWQZKOEMA-UHFFFAOYSA-N 0 0 454.935 4.812 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(c4cccc(F)c4)CC3)cc2)cc1 ZINC001450853818 1067132508 /nfs/dbraw/zinc/13/25/08/1067132508.db2.gz XLBIJZNBXSHDBU-UHFFFAOYSA-N 0 0 452.551 4.955 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(Br)ccc2F)C1 ZINC001546103286 1067132797 /nfs/dbraw/zinc/13/27/97/1067132797.db2.gz FSEHEPFKOFSZDQ-UHFFFAOYSA-N 0 0 492.437 4.675 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)C1 ZINC001546103254 1067132836 /nfs/dbraw/zinc/13/28/36/1067132836.db2.gz DRLGAFBGUMBKCF-UHFFFAOYSA-N 0 0 463.630 4.828 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001546026488 1067133100 /nfs/dbraw/zinc/13/31/00/1067133100.db2.gz PUJIXUNOHCRWTA-JOCHJYFZSA-N 0 0 477.447 4.574 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001546026474 1067133142 /nfs/dbraw/zinc/13/31/42/1067133142.db2.gz PPOLUVYKMAOGHW-JOCHJYFZSA-N 0 0 481.685 4.536 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546103291 1067133512 /nfs/dbraw/zinc/13/35/12/1067133512.db2.gz FVKLFHUTCRAZCX-URXFXBBRSA-N 0 0 487.664 4.931 20 0 JJADRN CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458760933 1067133532 /nfs/dbraw/zinc/13/35/32/1067133532.db2.gz GLUFBLQIPKVOKQ-QAPCUYQASA-N 0 0 457.258 4.562 20 0 JJADRN COC(=O)C[C@@]1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCOC1 ZINC001458758504 1067133565 /nfs/dbraw/zinc/13/35/65/1067133565.db2.gz GBGKCKNLFNCVQV-NRFANRHFSA-N 0 0 454.375 4.738 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)cc1 ZINC001458763526 1067134078 /nfs/dbraw/zinc/13/40/78/1067134078.db2.gz PXZSUTDJFQLGHP-HNNXBMFYSA-N 0 0 452.532 4.613 20 0 JJADRN Cc1ccc(-c2[nH]nc(NC(=O)CCc3c(C)nn(COCC[Si](C)(C)C)c3C)c2C)o1 ZINC001450897415 1067134525 /nfs/dbraw/zinc/13/45/25/1067134525.db2.gz GYVKSMYMQKXDDV-UHFFFAOYSA-N 0 0 457.651 4.983 20 0 JJADRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NCC(C)C)n2-c2ccc(C)cc2)cc1 ZINC001458764716 1067134793 /nfs/dbraw/zinc/13/47/93/1067134793.db2.gz CASAQWDAUIIBNJ-SFHVURJKSA-N 0 0 451.596 4.514 20 0 JJADRN CC(C)c1ccc(C[C@H](C)NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 ZINC001545808538 1067135048 /nfs/dbraw/zinc/13/50/48/1067135048.db2.gz BKIDTXYTLCRAIK-CCLHPLFOSA-N 0 0 458.643 4.790 20 0 JJADRN CN(C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458766950 1067135432 /nfs/dbraw/zinc/13/54/32/1067135432.db2.gz WOGJKQMPIGLOAS-KMDXXIMOSA-N 0 0 454.542 4.696 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001546027454 1067136131 /nfs/dbraw/zinc/13/61/31/1067136131.db2.gz AAJVVAHPHGKJCO-UWJYYQICSA-N 0 0 456.612 4.533 20 0 JJADRN COC(=O)c1oc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1C ZINC001458769467 1067136759 /nfs/dbraw/zinc/13/67/59/1067136759.db2.gz KOMWHDYLLJWIMH-HNNXBMFYSA-N 0 0 450.516 4.936 20 0 JJADRN Cc1cccc(CN2CCN(C(=O)c3scc(Br)c3Br)CC2)c1 ZINC001458769424 1067136765 /nfs/dbraw/zinc/13/67/65/1067136765.db2.gz QVDQSNYYIYOTTA-UHFFFAOYSA-N 0 0 458.219 4.540 20 0 JJADRN COc1cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)cc(Br)c1OC ZINC001450938275 1067136840 /nfs/dbraw/zinc/13/68/40/1067136840.db2.gz AHRFCIDYISREGG-UHFFFAOYSA-N 0 0 456.377 4.631 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)CCCCC1 ZINC001450949381 1067136849 /nfs/dbraw/zinc/13/68/49/1067136849.db2.gz UBVSNIPOAGWMKV-UHFFFAOYSA-N 0 0 459.612 4.510 20 0 JJADRN CCCCCn1nc(C(=O)OCc2ccc(C(=O)OC(C)(C)C)cc2)c2ccccc2c1=O ZINC001458770568 1067137222 /nfs/dbraw/zinc/13/72/22/1067137222.db2.gz YDKKUKZRTVYXEP-UHFFFAOYSA-N 0 0 450.535 4.899 20 0 JJADRN Cc1cccnc1NC(=O)CCNC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001450957846 1067137373 /nfs/dbraw/zinc/13/73/73/1067137373.db2.gz IZUCSSIOGNKBSB-NRFANRHFSA-N 0 0 458.345 4.962 20 0 JJADRN CC(C)c1ccccc1-n1c(SCC(=O)c2cnn(C)n2)nnc1-c1ccc(Cl)cc1 ZINC001458772121 1067138583 /nfs/dbraw/zinc/13/85/83/1067138583.db2.gz BFCGEBFLFHZWJO-UHFFFAOYSA-N 0 0 452.971 4.815 20 0 JJADRN COc1ccc(Br)c(CC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC001450995066 1067138603 /nfs/dbraw/zinc/13/86/03/1067138603.db2.gz SWLVINLZKIZDJG-KRWDZBQOSA-N 0 0 454.162 4.521 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1 ZINC001546027975 1067138683 /nfs/dbraw/zinc/13/86/83/1067138683.db2.gz RTTJAKSBJTVWCI-UHFFFAOYSA-N 0 0 472.431 4.723 20 0 JJADRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3nc2SCCNC(=O)OCC(F)(F)F)[C@H]1C ZINC001458772294 1067139077 /nfs/dbraw/zinc/13/90/77/1067139077.db2.gz ARPNWKWEOPFVIE-JKIFEVAISA-N 0 0 457.518 4.774 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)c(=O)[nH]1 ZINC001450997284 1067139137 /nfs/dbraw/zinc/13/91/37/1067139137.db2.gz WBTOCRFJIBOLCB-IBGZPJMESA-N 0 0 454.324 4.598 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001546028029 1067139145 /nfs/dbraw/zinc/13/91/45/1067139145.db2.gz TZPYQJRTTDISNP-GOSISDBHSA-N 0 0 485.467 4.976 20 0 JJADRN C[C@H]1Cc2cccc(C(=O)Oc3ccc(I)c(Br)c3)c2O1 ZINC001458773820 1067139592 /nfs/dbraw/zinc/13/95/92/1067139592.db2.gz IGYBITPSIXUPPA-VIFPVBQESA-N 0 0 459.077 4.596 20 0 JJADRN COc1cccc(-n2c(SCC(=O)N(C)[C@H]3CCCC[C@@H]3C)nc3ccccc3c2=O)c1 ZINC001458774168 1067139626 /nfs/dbraw/zinc/13/96/26/1067139626.db2.gz IJZOITCMNJVQMI-JTSKRJEESA-N 0 0 451.592 4.524 20 0 JJADRN COc1ccccc1-n1c(SCC(=O)OCC(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC001458773861 1067139690 /nfs/dbraw/zinc/13/96/90/1067139690.db2.gz VSBXYYDLPQHSJJ-UHFFFAOYSA-N 0 0 458.605 4.626 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001546028096 1067139913 /nfs/dbraw/zinc/13/99/13/1067139913.db2.gz WLFAIPCMMPAGGG-AWEZNQCLSA-N 0 0 457.363 4.740 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Nc3cnccn3)c2)[C@H](c2ccccc2)C1 ZINC001451025065 1067139965 /nfs/dbraw/zinc/13/99/65/1067139965.db2.gz BQLXDJNJGPUZHW-QFIPXVFZSA-N 0 0 459.550 4.654 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CSc2nnc(-c3cccs3)n2-c2ccccc2)C1 ZINC001458775104 1067139884 /nfs/dbraw/zinc/13/98/84/1067139884.db2.gz JLWSKKISOBPQHR-KRWDZBQOSA-N 0 0 458.609 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CSc2nnc(-c3cccs3)n2-c2ccccc2)C1 ZINC001458775110 1067140089 /nfs/dbraw/zinc/14/00/89/1067140089.db2.gz JLWSKKISOBPQHR-QGZVFWFLSA-N 0 0 458.609 4.724 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)c1ccc(Cl)cc1 ZINC001451026510 1067140053 /nfs/dbraw/zinc/14/00/53/1067140053.db2.gz DGOSYOUFLIBOFK-CYBMUJFWSA-N 0 0 450.894 4.910 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@H](C)C1 ZINC001546027758 1067140843 /nfs/dbraw/zinc/14/08/43/1067140843.db2.gz KLQYTAAJZVBQOZ-INIZCTEOSA-N 0 0 465.436 4.894 20 0 JJADRN CCCc1nc(C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)nn1-c1ccccc1F ZINC001458777166 1067141820 /nfs/dbraw/zinc/14/18/20/1067141820.db2.gz WQBCNRSHGKLZON-UHFFFAOYSA-N 0 0 457.531 4.512 20 0 JJADRN C[C@H]1C[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCO1 ZINC001545813231 1067141818 /nfs/dbraw/zinc/14/18/18/1067141818.db2.gz CDKDBTXOBHIFSB-HOOSLVGPSA-N 0 0 450.579 4.624 20 0 JJADRN Fc1cc(Br)cnc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC001458777813 1067142425 /nfs/dbraw/zinc/14/24/25/1067142425.db2.gz KAXKWYCDHFYZDI-UHFFFAOYSA-N 0 0 456.344 4.977 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCO1 ZINC001545813234 1067142457 /nfs/dbraw/zinc/14/24/57/1067142457.db2.gz CDKDBTXOBHIFSB-QZTZHPFYSA-N 0 0 450.579 4.624 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCO1 ZINC001545813233 1067142492 /nfs/dbraw/zinc/14/24/92/1067142492.db2.gz CDKDBTXOBHIFSB-NXMSCROESA-N 0 0 450.579 4.624 20 0 JJADRN CC[C@@](O)(CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001451045133 1067142604 /nfs/dbraw/zinc/14/26/04/1067142604.db2.gz FIIXEIRDIDYPKC-QHWMMSMNSA-N 0 0 470.585 4.723 20 0 JJADRN Cc1cc(CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)ccc1Br ZINC001451043139 1067142661 /nfs/dbraw/zinc/14/26/61/1067142661.db2.gz XYDBRRAYXAIZMR-LBPRGKRZSA-N 0 0 454.390 4.730 20 0 JJADRN Cc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)n1CC(F)(F)F ZINC001451045540 1067142691 /nfs/dbraw/zinc/14/26/91/1067142691.db2.gz FUBZKSPQLRETJA-UHFFFAOYSA-N 0 0 457.537 4.921 20 0 JJADRN Cc1nnc(-c2ccccc2C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC001451047707 1067143292 /nfs/dbraw/zinc/14/32/92/1067143292.db2.gz MLKSBTMOJODKJN-SIKLNZKXSA-N 0 0 480.540 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)n[nH]1)CC2 ZINC001451047728 1067143332 /nfs/dbraw/zinc/14/33/32/1067143332.db2.gz MQIAHIYOXQXVBL-UHFFFAOYSA-N 0 0 458.990 4.983 20 0 JJADRN O=C(NCc1ccc(NC(=O)C(F)(F)F)nc1)c1sc(-c2ccccc2)nc1C(F)F ZINC001451073175 1067144704 /nfs/dbraw/zinc/14/47/04/1067144704.db2.gz NTUBHXPHODXNQU-UHFFFAOYSA-N 0 0 456.396 4.574 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](CCCO)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451060198 1067144852 /nfs/dbraw/zinc/14/48/52/1067144852.db2.gz FHHYJZODSKONLL-RBZQAINGSA-N 0 0 470.585 4.591 20 0 JJADRN CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)cc1F ZINC001458783720 1067145058 /nfs/dbraw/zinc/14/50/58/1067145058.db2.gz ULJVLXCRVCSTRO-UHFFFAOYSA-N 0 0 451.292 4.754 20 0 JJADRN COC(=O)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 ZINC001458783668 1067145127 /nfs/dbraw/zinc/14/51/27/1067145127.db2.gz XLAMKXFQLZSGKZ-UHFFFAOYSA-N 0 0 458.539 4.764 20 0 JJADRN COC(=O)C(C)(C)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC001458783088 1067145147 /nfs/dbraw/zinc/14/51/47/1067145147.db2.gz UFIBVTAHBXLZSH-CQSZACIVSA-N 0 0 458.971 4.540 20 0 JJADRN Cc1cc(Br)c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC001458783411 1067145206 /nfs/dbraw/zinc/14/52/06/1067145206.db2.gz UBFZVPFZTJDOBZ-UHFFFAOYSA-N 0 0 451.169 4.867 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)c1noc(C(F)F)n1 ZINC001451078573 1067145398 /nfs/dbraw/zinc/14/53/98/1067145398.db2.gz DYPOFLVLKLXGJA-LLVKDONJSA-N 0 0 452.255 4.840 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001451104007 1067146037 /nfs/dbraw/zinc/14/60/37/1067146037.db2.gz DMOPTMJXKMLIRV-IFMALSPDSA-N 0 0 458.599 4.686 20 0 JJADRN CCCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)cc1 ZINC001545816735 1067146148 /nfs/dbraw/zinc/14/61/48/1067146148.db2.gz TYQBKDBMRWQVBP-UHFFFAOYSA-N 0 0 454.548 4.927 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)N(C)C)C1 ZINC001546103714 1067146450 /nfs/dbraw/zinc/14/64/50/1067146450.db2.gz UIADSKWQNZDOIV-GOSISDBHSA-N 0 0 462.038 4.956 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCOCC2)C1 ZINC001546103728 1067146459 /nfs/dbraw/zinc/14/64/59/1067146459.db2.gz UXSKKTVKZPBDSR-FQEVSTJZSA-N 0 0 473.637 4.685 20 0 JJADRN C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1)C1CCCCCC1 ZINC001458788271 1067147411 /nfs/dbraw/zinc/14/74/11/1067147411.db2.gz ILITVOUNNTVYLJ-APWZRJJASA-N 0 0 458.462 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2noc(-c3cccc(F)c3)n2)C1 ZINC001451120667 1067147468 /nfs/dbraw/zinc/14/74/68/1067147468.db2.gz XJMGGXYLUCWKCD-HKUYNNGSSA-N 0 0 458.534 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC001451120408 1067147586 /nfs/dbraw/zinc/14/75/86/1067147586.db2.gz WOQGZEIHTJENFC-DENIHFKCSA-N 0 0 453.583 4.511 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cnn1-c1ccc(C)cc1 ZINC001451123536 1067147603 /nfs/dbraw/zinc/14/76/03/1067147603.db2.gz BHIVMTLUQOXHNX-VAMGGRTRSA-N 0 0 452.599 4.509 20 0 JJADRN O=C(Oc1ccc(I)c(Br)c1)c1ccc2cccnc2c1 ZINC001458789317 1067147894 /nfs/dbraw/zinc/14/78/94/1067147894.db2.gz MBBVXPVIJUEJHD-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC001458791167 1067148672 /nfs/dbraw/zinc/14/86/72/1067148672.db2.gz WARDBZMBDPRHOW-PMACEKPBSA-N 0 0 454.636 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C[C@H]2C1 ZINC001451131756 1067148808 /nfs/dbraw/zinc/14/88/08/1067148808.db2.gz IMGIUCCBPVHPPD-TXPKVOOTSA-N 0 0 452.517 4.889 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c2c(n1)onc2C(C)C ZINC001451131716 1067148819 /nfs/dbraw/zinc/14/88/19/1067148819.db2.gz IKNVVYIUMLTXNB-XYJFISCASA-N 0 0 456.587 4.674 20 0 JJADRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC001458795539 1067149145 /nfs/dbraw/zinc/14/91/45/1067149145.db2.gz WFEWFAGOYGEWIU-MJGOQNOKSA-N 0 0 456.637 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCc3ccccc3OC(F)(F)F)C[C@H]2C1 ZINC001451141509 1067149376 /nfs/dbraw/zinc/14/93/76/1067149376.db2.gz PIVGGHPQDGMWMP-BZSNNMDCSA-N 0 0 456.505 4.670 20 0 JJADRN C/C(=C/C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1OC(F)F ZINC001451143241 1067150034 /nfs/dbraw/zinc/15/00/34/1067150034.db2.gz QMHYODRDQOFYOG-KPFMSVRHSA-N 0 0 450.526 4.843 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 ZINC001458806353 1067150406 /nfs/dbraw/zinc/15/04/06/1067150406.db2.gz AYNVKGNJBPPHIA-QGZVFWFLSA-N 0 0 458.400 4.963 20 0 JJADRN C[C@H](CCCc1cccnc1)NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451151929 1067150497 /nfs/dbraw/zinc/15/04/97/1067150497.db2.gz RPUPEZHLBAMPQV-WOJBJXKFSA-N 0 0 457.574 4.836 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCOc3ccc(Cl)cc3Cl)C[C@H]2C1 ZINC001451150788 1067150528 /nfs/dbraw/zinc/15/05/28/1067150528.db2.gz YRHVLQWCKJFXRX-ZOBUZTSGSA-N 0 0 457.398 4.914 20 0 JJADRN O=C(c1cc(Br)cc2cccnc21)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451151953 1067150682 /nfs/dbraw/zinc/15/06/82/1067150682.db2.gz BIYZYKBLKUATFJ-INIZCTEOSA-N 0 0 457.290 4.819 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2cc(C)c(Br)c(C)n2)cc1OC ZINC001458808957 1067151251 /nfs/dbraw/zinc/15/12/51/1067151251.db2.gz AEMJOKUIDNONQQ-UHFFFAOYSA-N 0 0 458.150 4.883 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC001458812403 1067151829 /nfs/dbraw/zinc/15/18/29/1067151829.db2.gz DAJBWMFIYWFVIS-JOCHJYFZSA-N 0 0 453.970 4.738 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)c2)c1 ZINC001545819090 1067153143 /nfs/dbraw/zinc/15/31/43/1067153143.db2.gz ZDVZDODPQMMQNZ-JOCHJYFZSA-N 0 0 459.571 4.599 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)[C@@H]1O ZINC001451193567 1067153257 /nfs/dbraw/zinc/15/32/57/1067153257.db2.gz GSBMUIYTRYKSIO-OCCSQVGLSA-N 0 0 450.276 4.532 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC001458815770 1067153236 /nfs/dbraw/zinc/15/32/36/1067153236.db2.gz GEWVPGIAHDHUHP-NRFANRHFSA-N 0 0 455.505 4.580 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC001458816094 1067153576 /nfs/dbraw/zinc/15/35/76/1067153576.db2.gz JMHIFKOUSCNEBX-HXUWFJFHSA-N 0 0 458.331 4.604 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC001458817896 1067154398 /nfs/dbraw/zinc/15/43/98/1067154398.db2.gz KPUQWQWGGSWXDY-VWLOTQADSA-N 0 0 459.590 4.728 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccc(I)c(Br)c1)C1CCC1 ZINC001451240203 1067154497 /nfs/dbraw/zinc/15/44/97/1067154497.db2.gz BGOOGMVZOCJERL-HNNXBMFYSA-N 0 0 450.158 4.681 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccc(I)c(Br)c1)C1CCC1 ZINC001451240208 1067154653 /nfs/dbraw/zinc/15/46/53/1067154653.db2.gz BGOOGMVZOCJERL-OAHLLOKOSA-N 0 0 450.158 4.681 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001458818638 1067154911 /nfs/dbraw/zinc/15/49/11/1067154911.db2.gz MEZLYBDOFTXPOZ-WMZHIEFXSA-N 0 0 451.592 4.578 20 0 JJADRN O=C(c1cc2cc(Br)sc2[nH]1)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451246073 1067155109 /nfs/dbraw/zinc/15/51/09/1067155109.db2.gz MOCWAVPCATUKQT-KRWDZBQOSA-N 0 0 455.324 4.856 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(Br)c1C ZINC001458820562 1067155380 /nfs/dbraw/zinc/15/53/80/1067155380.db2.gz NZCRPVCANUQGAR-NRFANRHFSA-N 0 0 454.368 4.774 20 0 JJADRN COc1cccc([C@@H](OC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccncc2)c1 ZINC001458820410 1067155489 /nfs/dbraw/zinc/15/54/89/1067155489.db2.gz WRUBLXMXQNLBQK-BVAGGSTKSA-N 0 0 458.558 4.892 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)c(=O)[nH]1 ZINC001451246671 1067155642 /nfs/dbraw/zinc/15/56/42/1067155642.db2.gz GDJKLNJRNSUZRW-MRXNPFEDSA-N 0 0 453.583 4.768 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnc(CC(C)(C)C)s1 ZINC001458821898 1067156186 /nfs/dbraw/zinc/15/61/86/1067156186.db2.gz RIVUHRAIHANPND-FQEVSTJZSA-N 0 0 452.624 4.807 20 0 JJADRN CCCCCn1c(=O)c2cc(Br)ccc2nc1SCc1cn2cccnc2n1 ZINC001458823815 1067157146 /nfs/dbraw/zinc/15/71/46/1067157146.db2.gz RGTRRKIJLCKNTG-UHFFFAOYSA-N 0 0 458.385 4.684 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001451298399 1067157780 /nfs/dbraw/zinc/15/77/80/1067157780.db2.gz HQUJCUKSOZWJOM-JTSKRJEESA-N 0 0 450.595 4.993 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3n2CCc2ccccc2)c1 ZINC001458824953 1067157888 /nfs/dbraw/zinc/15/78/88/1067157888.db2.gz OTGZTCFQXRGISJ-UHFFFAOYSA-N 0 0 451.617 4.822 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458824698 1067157997 /nfs/dbraw/zinc/15/79/97/1067157997.db2.gz XZYNFERLHBHSFY-UYAOXDASSA-N 0 0 454.395 4.972 20 0 JJADRN CC(C)CCC[C@@H](C)n1c(SCC(=O)N2C[C@H](C)OC(C)(C)C2)nc2ccccc2c1=O ZINC001458825447 1067158414 /nfs/dbraw/zinc/15/84/14/1067158414.db2.gz KYJXQEUHTRGFDT-MOPGFXCFSA-N 0 0 459.656 4.902 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1OC ZINC001451310907 1067158545 /nfs/dbraw/zinc/15/85/45/1067158545.db2.gz DRRPQTSXBSEEOQ-FCHUYYIVSA-N 0 0 454.567 4.668 20 0 JJADRN CC(C)CCC[C@H](C)n1c(SCC(=O)N2C[C@H](C)OC(C)(C)C2)nc2ccccc2c1=O ZINC001458825450 1067158478 /nfs/dbraw/zinc/15/84/78/1067158478.db2.gz KYJXQEUHTRGFDT-OALUTQOASA-N 0 0 459.656 4.902 20 0 JJADRN CCOC(=O)CC[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 ZINC001458825279 1067158540 /nfs/dbraw/zinc/15/85/40/1067158540.db2.gz QSRGWQWMDHFPFZ-CQSZACIVSA-N 0 0 458.605 4.768 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N3CCC(Cc4cccc(F)c4F)CC3)c(=O)oc2c1 ZINC001451320270 1067159368 /nfs/dbraw/zinc/15/93/68/1067159368.db2.gz BZUOWGMZWAERDS-UHFFFAOYSA-N 0 0 455.501 4.802 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(Cl)cc1)Sc1nnc(COc2ccc(Cl)cc2)n1C ZINC001458827051 1067159681 /nfs/dbraw/zinc/15/96/81/1067159681.db2.gz LUOFYZBAUZMVEW-QGZVFWFLSA-N 0 0 452.363 4.577 20 0 JJADRN CCCc1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2C)cc1 ZINC001458826920 1067159765 /nfs/dbraw/zinc/15/97/65/1067159765.db2.gz KGWZIAWEXDCZFU-UHFFFAOYSA-N 0 0 458.653 4.757 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(I)c1C ZINC001458826829 1067159816 /nfs/dbraw/zinc/15/98/16/1067159816.db2.gz WQSHCUJIXGDOJS-GFCCVEGCSA-N 0 0 455.317 4.506 20 0 JJADRN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3sc(CC)cc3C(=O)OCC)ccc12 ZINC001458828449 1067160349 /nfs/dbraw/zinc/16/03/49/1067160349.db2.gz KWYFHWCYSSKZAR-AWEZNQCLSA-N 0 0 457.548 4.952 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)c3nc4ccccc4o3)o2)c1 ZINC001458828109 1067160362 /nfs/dbraw/zinc/16/03/62/1067160362.db2.gz ZKQWQOLCZQIGGW-CQSZACIVSA-N 0 0 458.565 4.762 20 0 JJADRN O=C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cccc(CCO)c1 ZINC001451338231 1067160528 /nfs/dbraw/zinc/16/05/28/1067160528.db2.gz BGOFJDQUGSVFAN-UHFFFAOYSA-N 0 0 458.558 4.869 20 0 JJADRN O=C1[C@H](Sc2nncn2-c2ccccc2F)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001458829392 1067160793 /nfs/dbraw/zinc/16/07/93/1067160793.db2.gz XKMMPHSXCMYFJJ-GOSISDBHSA-N 0 0 450.461 4.709 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCO[C@H](C)C2)on1 ZINC001545821422 1067161314 /nfs/dbraw/zinc/16/13/14/1067161314.db2.gz CLJLYMLDNLFPDB-LJQANCHMSA-N 0 0 480.613 4.702 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)cc1OCC ZINC001451375577 1067161319 /nfs/dbraw/zinc/16/13/19/1067161319.db2.gz FDTANHIJTAKVOL-NQIIRXRSSA-N 0 0 458.986 4.710 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(CC)C(C)C)on1 ZINC001545821642 1067161538 /nfs/dbraw/zinc/16/15/38/1067161538.db2.gz IJHHLVIVGLKDRS-UHFFFAOYSA-N 0 0 487.674 4.721 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCCN(CC)C(=O)C2)on1 ZINC001545821517 1067161739 /nfs/dbraw/zinc/16/17/39/1067161739.db2.gz FRHPSKGJHXBDCH-SFHVURJKSA-N 0 0 498.603 4.556 20 0 JJADRN COC(=O)C1(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2OC)CCCC1 ZINC001458832024 1067161924 /nfs/dbraw/zinc/16/19/24/1067161924.db2.gz FRUVTITXIUWXLH-UHFFFAOYSA-N 0 0 458.967 4.873 20 0 JJADRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451384745 1067162523 /nfs/dbraw/zinc/16/25/23/1067162523.db2.gz CQZJFTVPBJLNHP-PZJWPPBQSA-N 0 0 465.525 4.521 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451390114 1067163104 /nfs/dbraw/zinc/16/31/04/1067163104.db2.gz LSCCSHGKAOSTPQ-ONGXBYRLSA-N 0 0 462.949 4.766 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](OC)C2)on1 ZINC001545822108 1067162999 /nfs/dbraw/zinc/16/29/99/1067162999.db2.gz TWRLHPKDQILFIB-OXJNMPFZSA-N 0 0 457.550 4.722 20 0 JJADRN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458835618 1067164188 /nfs/dbraw/zinc/16/41/88/1067164188.db2.gz GOALQNSLYASOBL-FQEVSTJZSA-N 0 0 458.352 4.552 20 0 JJADRN O=C1[C@H](Sc2n[nH]c(COc3ccc(Cl)cc3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC001458836094 1067164287 /nfs/dbraw/zinc/16/42/87/1067164287.db2.gz RFIZZTSMBBQGQP-MRXNPFEDSA-N 0 0 453.326 4.727 20 0 JJADRN O=C(CCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)OCc1ccccc1 ZINC001458835902 1067164326 /nfs/dbraw/zinc/16/43/26/1067164326.db2.gz MRXBTPLSXANJRW-FQEVSTJZSA-N 0 0 451.592 4.543 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC001458836741 1067164856 /nfs/dbraw/zinc/16/48/56/1067164856.db2.gz SQBHSKMSJSEVJW-XMMPIXPASA-N 0 0 451.592 4.948 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 ZINC001451399704 1067164991 /nfs/dbraw/zinc/16/49/91/1067164991.db2.gz KPXVXZRUFDOSES-VDGAXYAQSA-N 0 0 453.526 4.654 20 0 JJADRN CCSc1ccc(CC(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(Br)c1 ZINC001451399419 1067165048 /nfs/dbraw/zinc/16/50/48/1067165048.db2.gz MKROTYZFVDJEOE-MAUKXSAKSA-N 0 0 469.445 4.571 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H]2CCOC2)on1 ZINC001545823130 1067165007 /nfs/dbraw/zinc/16/50/07/1067165007.db2.gz BLMRJVPETSKGEV-KRWDZBQOSA-N 0 0 459.978 4.772 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N(C)C[C@H](C)c2nccs2)on1 ZINC001545823163 1067165034 /nfs/dbraw/zinc/16/50/34/1067165034.db2.gz CINFAAVLTOHHKJ-INIZCTEOSA-N 0 0 451.600 4.976 20 0 JJADRN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001458836455 1067164958 /nfs/dbraw/zinc/16/49/58/1067164958.db2.gz PQQWUBFTJONIQS-AUUYWEPGSA-N 0 0 450.482 4.905 20 0 JJADRN CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCC(=O)[C@H]1Cc2ccccc21 ZINC001458837374 1067165446 /nfs/dbraw/zinc/16/54/46/1067165446.db2.gz ZDTRTZLSAJYMSN-KRWDZBQOSA-N 0 0 457.393 4.816 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](C)(C(=O)NC)C2)on1 ZINC001545823326 1067166191 /nfs/dbraw/zinc/16/61/91/1067166191.db2.gz ITHSYSBRANTTGQ-DEOSSOPVSA-N 0 0 471.005 4.501 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(C3CCOCC3)cc2)C[C@H]1c1cccc(F)c1 ZINC001451407939 1067166369 /nfs/dbraw/zinc/16/63/69/1067166369.db2.gz ZIGBDRGJQSMBGJ-BJKOFHAPSA-N 0 0 468.569 4.853 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)C2)on1 ZINC001545823336 1067166280 /nfs/dbraw/zinc/16/62/80/1067166280.db2.gz IYJJCXXGFXEOPR-UHFFFAOYSA-N 0 0 469.334 4.821 20 0 JJADRN O=C(CCSc1ccccc1Br)NC[C@@H](O)c1ccccc1Br ZINC001451409376 1067166762 /nfs/dbraw/zinc/16/67/62/1067166762.db2.gz IMGLYJYJXWLHFK-OAHLLOKOSA-N 0 0 459.203 4.544 20 0 JJADRN CCc1c(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)cnn1-c1ccc(Cl)cc1 ZINC001458839917 1067166833 /nfs/dbraw/zinc/16/68/33/1067166833.db2.gz GIBLCDIWNDPHBF-UHFFFAOYSA-N 0 0 459.377 4.826 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)on1 ZINC001545823408 1067166805 /nfs/dbraw/zinc/16/68/05/1067166805.db2.gz LXEFUGCXLZLHRF-NRFANRHFSA-N 0 0 455.525 4.625 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)on1 ZINC001545823469 1067166904 /nfs/dbraw/zinc/16/69/04/1067166904.db2.gz NLFJMODSILEYLL-KRWDZBQOSA-N 0 0 480.535 4.771 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)on1 ZINC001545823524 1067167490 /nfs/dbraw/zinc/16/74/90/1067167490.db2.gz PCKRMAGWEMZUJB-UHFFFAOYSA-N 0 0 475.597 4.905 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCOC(C)(C)C2)on1 ZINC001545823664 1067167495 /nfs/dbraw/zinc/16/74/95/1067167495.db2.gz UHCMOZCAUAOBTE-UHFFFAOYSA-N 0 0 469.586 4.517 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3)nnc2N2CCCN(C(=O)C(C)C)CC2)on1 ZINC001545823530 1067167504 /nfs/dbraw/zinc/16/75/04/1067167504.db2.gz PGGQFBDKHBXIGZ-UHFFFAOYSA-N 0 0 464.614 4.580 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)c21 ZINC001451412045 1067168075 /nfs/dbraw/zinc/16/80/75/1067168075.db2.gz OLVNCSHJMRLLSB-SIKLNZKXSA-N 0 0 451.542 4.677 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)on1 ZINC001545823725 1067168152 /nfs/dbraw/zinc/16/81/52/1067168152.db2.gz WOGVSSNOTSSIJD-QZTJIDSGSA-N 0 0 485.654 4.771 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(F)(F)F)on1 ZINC001545823783 1067168169 /nfs/dbraw/zinc/16/81/69/1067168169.db2.gz YQWKLHPHQQTFHP-UHFFFAOYSA-N 0 0 465.476 4.655 20 0 JJADRN CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001451412927 1067168540 /nfs/dbraw/zinc/16/85/40/1067168540.db2.gz MFVIUNODFQTYFS-QHCPKHFHSA-N 0 0 454.364 4.746 20 0 JJADRN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC001458842587 1067168555 /nfs/dbraw/zinc/16/85/55/1067168555.db2.gz CCYJTMWTOXPICO-FQEVSTJZSA-N 0 0 451.748 4.554 20 0 JJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(Br)no1 ZINC001458842422 1067168599 /nfs/dbraw/zinc/16/85/99/1067168599.db2.gz AQGVRYJOWWESOV-UHFFFAOYSA-N 0 0 458.765 4.519 20 0 JJADRN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC001458842588 1067168641 /nfs/dbraw/zinc/16/86/41/1067168641.db2.gz CCYJTMWTOXPICO-HXUWFJFHSA-N 0 0 451.748 4.554 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823811 1067168615 /nfs/dbraw/zinc/16/86/15/1067168615.db2.gz ZTTMVZQJECAHGN-VGSWGCGISA-N 0 0 495.628 4.629 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)ccc1F ZINC001545824395 1067168642 /nfs/dbraw/zinc/16/86/42/1067168642.db2.gz WYHDXWULVOLFEG-UHFFFAOYSA-N 0 0 456.518 4.514 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCCCC3)CC2)on1 ZINC001545824599 1067169287 /nfs/dbraw/zinc/16/92/87/1067169287.db2.gz CYXIGYGGRFTMMJ-UHFFFAOYSA-N 0 0 485.677 4.535 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccncc3)nnc2N2CCC(C(F)(F)F)CC2)on1 ZINC001545824513 1067169311 /nfs/dbraw/zinc/16/93/11/1067169311.db2.gz APQRTJZTBFOHNL-UHFFFAOYSA-N 0 0 462.520 4.983 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC=C(C(F)(F)F)CC2)on1 ZINC001545824676 1067169366 /nfs/dbraw/zinc/16/93/66/1067169366.db2.gz GCEQPTAAZMVLOP-UHFFFAOYSA-N 0 0 477.535 4.778 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](C)CSc4ccc(Cl)cc43)C2=O)c1 ZINC001458845559 1067169926 /nfs/dbraw/zinc/16/99/26/1067169926.db2.gz FFSZLICOPUGSFW-QAPCUYQASA-N 0 0 457.983 4.628 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458846693 1067170492 /nfs/dbraw/zinc/17/04/92/1067170492.db2.gz CVMSGIMDRWRYPW-MRXNPFEDSA-N 0 0 457.452 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001451433331 1067171335 /nfs/dbraw/zinc/17/13/35/1067171335.db2.gz TXGWOJRNGJCHNX-MOPGFXCFSA-N 0 0 456.505 4.630 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)on1 ZINC001545825219 1067171611 /nfs/dbraw/zinc/17/16/11/1067171611.db2.gz WGQJTLJLLVACNZ-IBGZPJMESA-N 0 0 492.546 4.752 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)C1 ZINC001451441146 1067171945 /nfs/dbraw/zinc/17/19/45/1067171945.db2.gz QHVTVQLRYIRTSI-OFNKIYASSA-N 0 0 454.567 4.871 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)on1 ZINC001545825920 1067172110 /nfs/dbraw/zinc/17/21/10/1067172110.db2.gz ADFGBWDURGRDNW-KNQAVFIVSA-N 0 0 485.551 4.599 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)C1 ZINC001451435756 1067172074 /nfs/dbraw/zinc/17/20/74/1067172074.db2.gz LJLWMTWBHVSRCQ-CIAFKFPVSA-N 0 0 463.018 4.754 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCO[C@H]1CCCC[C@@H]1C)n2CC ZINC001458851250 1067172534 /nfs/dbraw/zinc/17/25/34/1067172534.db2.gz FIMLOYFVLXTISI-UWJYYQICSA-N 0 0 453.674 4.774 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001546031253 1067172633 /nfs/dbraw/zinc/17/26/33/1067172633.db2.gz AFUJFVKIINXCHB-CALCHBBNSA-N 0 0 459.541 4.879 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@H](C)[C@H]3CC)nnc2[C@@]2(OC(C)C)CCOC2)on1 ZINC001545826052 1067172619 /nfs/dbraw/zinc/17/26/19/1067172619.db2.gz DLOYCBNDDAEDBK-QRJOEMBSSA-N 0 0 459.635 4.883 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1CCc1csc(C)n1 ZINC001545826118 1067172642 /nfs/dbraw/zinc/17/26/42/1067172642.db2.gz GHJCEESPQLYBCT-OAHLLOKOSA-N 0 0 458.607 4.541 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CC[C@H](Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1=O ZINC001458852649 1067173289 /nfs/dbraw/zinc/17/32/89/1067173289.db2.gz ODQLCXGFRATXGS-BMIGLBTASA-N 0 0 458.868 4.995 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001451460256 1067173299 /nfs/dbraw/zinc/17/32/99/1067173299.db2.gz JHKUUUWXWDSZAL-HKUYNNGSSA-N 0 0 456.999 4.782 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C(F)(F)F)CC[C@@H]3C)cc2)cc1 ZINC001458852825 1067173825 /nfs/dbraw/zinc/17/38/25/1067173825.db2.gz FZMUYFHECNCQAJ-WMZOPIPTSA-N 0 0 454.514 4.623 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nc(C(C)(C)C)co1)n2CC ZINC001458853517 1067173828 /nfs/dbraw/zinc/17/38/28/1067173828.db2.gz QASCIHQVWHBIGP-UHFFFAOYSA-N 0 0 450.630 4.665 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC001451470296 1067173843 /nfs/dbraw/zinc/17/38/43/1067173843.db2.gz JEZIRDHFPJKAOO-LJQANCHMSA-N 0 0 459.365 4.569 20 0 JJADRN CS(=O)(=O)C1CN(C(=O)c2sc3ccccc3c2CSc2ccccc2Cl)C1 ZINC001451468997 1067173872 /nfs/dbraw/zinc/17/38/72/1067173872.db2.gz KIPLQOUOSVPPHK-UHFFFAOYSA-N 0 0 452.022 4.716 20 0 JJADRN CCC(CC)c1cc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H](C)Oc2ccccc2F)on1 ZINC001545826335 1067173952 /nfs/dbraw/zinc/17/39/52/1067173952.db2.gz KUCGGMNLRBWPDJ-OAHLLOKOSA-N 0 0 453.522 4.974 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)c1 ZINC001458854580 1067174379 /nfs/dbraw/zinc/17/43/79/1067174379.db2.gz ZQROMGVJBURCBX-ZDUSSCGKSA-N 0 0 456.992 4.554 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CCc1ccsc1 ZINC001545826491 1067174425 /nfs/dbraw/zinc/17/44/25/1067174425.db2.gz OGBPFHOIWYFTKI-OAHLLOKOSA-N 0 0 461.582 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC1(OC)CCC(C)CC1 ZINC001545826494 1067174528 /nfs/dbraw/zinc/17/45/28/1067174528.db2.gz OGSICKNIBGDNEU-VJLZTBLDSA-N 0 0 455.647 4.989 20 0 JJADRN CCC(O)(CC)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001546031549 1067174657 /nfs/dbraw/zinc/17/46/57/1067174657.db2.gz KYNOSXFFJVYUHS-IBGZPJMESA-N 0 0 480.657 4.659 20 0 JJADRN COc1cc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)ccc1OCCC(C)C ZINC001451475600 1067174671 /nfs/dbraw/zinc/17/46/71/1067174671.db2.gz TUCREWWCKMDRGI-LJQANCHMSA-N 0 0 450.373 4.688 20 0 JJADRN CCC(O)(CC)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001546031550 1067174809 /nfs/dbraw/zinc/17/48/09/1067174809.db2.gz KYNOSXFFJVYUHS-LJQANCHMSA-N 0 0 480.657 4.659 20 0 JJADRN Cc1nc2ccccc2n1CCCCCSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC001458855835 1067174999 /nfs/dbraw/zinc/17/49/99/1067174999.db2.gz XYEYJYPCOUEJLA-UHFFFAOYSA-N 0 0 458.609 4.699 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3C[C@H](C)C[C@@H]3CC)nnc2[C@]2(OC(C)C)CCOC2)on1 ZINC001545826577 1067175111 /nfs/dbraw/zinc/17/51/11/1067175111.db2.gz QJINIMXTENPMQQ-AOUJKTHWSA-N 0 0 459.635 4.883 20 0 JJADRN NC(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001451488079 1067175175 /nfs/dbraw/zinc/17/51/75/1067175175.db2.gz PZZLWIVTQPPPJJ-INIZCTEOSA-N 0 0 450.347 4.967 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001451496279 1067175234 /nfs/dbraw/zinc/17/52/34/1067175234.db2.gz ZRMJCTRKMMEBAA-MBSDFSHPSA-N 0 0 470.978 4.683 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001546031631 1067175250 /nfs/dbraw/zinc/17/52/50/1067175250.db2.gz NFQHIHZEZCEJCP-OAQYLSRUSA-N 0 0 473.980 4.570 20 0 JJADRN CNC(=O)[C@H](Cc1ccccc1)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC001458858920 1067175469 /nfs/dbraw/zinc/17/54/69/1067175469.db2.gz XPLKTEIXFGVCJH-GTRUEHEQSA-N 0 0 459.546 4.660 20 0 JJADRN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(C(F)(F)F)nc3Cl)C2=O)cc1 ZINC001458859170 1067175514 /nfs/dbraw/zinc/17/55/14/1067175514.db2.gz OGMWHVNKPLLTHR-FQEVSTJZSA-N 0 0 453.848 4.527 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC001458858579 1067175651 /nfs/dbraw/zinc/17/56/51/1067175651.db2.gz BQGLPAITOQQPBV-UHFFFAOYSA-N 0 0 458.996 4.745 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001545826687 1067175719 /nfs/dbraw/zinc/17/57/19/1067175719.db2.gz RUOUGDQBSDWBQG-HXUWFJFHSA-N 0 0 489.624 4.838 20 0 JJADRN Cc1cc(NC(=O)CCCOc2cccc(Br)c2)ccc1-n1nnnc1C(C)C ZINC001458859264 1067176206 /nfs/dbraw/zinc/17/62/06/1067176206.db2.gz HYRWKQSSZPTDMP-UHFFFAOYSA-N 0 0 458.360 4.654 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001545826755 1067176239 /nfs/dbraw/zinc/17/62/39/1067176239.db2.gz SPBMJKQHGILITJ-OXJNMPFZSA-N 0 0 475.584 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545826830 1067176244 /nfs/dbraw/zinc/17/62/44/1067176244.db2.gz UOGOFTLGAGEJKV-RTWAWAEBSA-N 0 0 477.657 4.785 20 0 JJADRN CN(CCCN(C)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001451524109 1067176498 /nfs/dbraw/zinc/17/64/98/1067176498.db2.gz YTDCRASOJRLCPC-MOPGFXCFSA-N 0 0 455.640 4.566 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC001451525562 1067176620 /nfs/dbraw/zinc/17/66/20/1067176620.db2.gz RVUGPCPBWOLEOT-LJQANCHMSA-N 0 0 452.979 4.973 20 0 JJADRN CCC(C)(C)NC(=O)[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(C)C ZINC001458861189 1067176601 /nfs/dbraw/zinc/17/66/01/1067176601.db2.gz MXKUDOPNPLBQIX-SFHVURJKSA-N 0 0 450.052 4.942 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(S[C@H]3CCN(c4cccc(Cl)c4)C3=O)n2C)cc1 ZINC001458860838 1067176771 /nfs/dbraw/zinc/17/67/71/1067176771.db2.gz MGZWJBCQRIPKHM-FQEVSTJZSA-N 0 0 456.015 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCc1cccnc1 ZINC001545826965 1067176800 /nfs/dbraw/zinc/17/68/00/1067176800.db2.gz XZCDMCGYJCTELP-GOSISDBHSA-N 0 0 460.582 4.778 20 0 JJADRN Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C ZINC001458863667 1067177251 /nfs/dbraw/zinc/17/72/51/1067177251.db2.gz QWUGIIKIBQYCDF-LJQANCHMSA-N 0 0 459.575 4.977 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC001458863310 1067177295 /nfs/dbraw/zinc/17/72/95/1067177295.db2.gz MAZFCEFKGKZWPH-HNNXBMFYSA-N 0 0 454.368 4.734 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)CSc3nc(-c4ccc(F)cc4)c[nH]3)CC2)cc1 ZINC001458862303 1067177338 /nfs/dbraw/zinc/17/73/38/1067177338.db2.gz PQMSGIJTIIVZBC-UHFFFAOYSA-N 0 0 452.599 4.776 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1C ZINC001451534531 1067177410 /nfs/dbraw/zinc/17/74/10/1067177410.db2.gz FENYAWGGEZHCNB-UHFFFAOYSA-N 0 0 457.571 4.537 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1C[C@H]1CCCOC1 ZINC001545827043 1067177408 /nfs/dbraw/zinc/17/74/08/1067177408.db2.gz ZCRGUJXVEPXUQJ-QZTJIDSGSA-N 0 0 453.587 4.567 20 0 JJADRN CCC(O)(CC)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546031884 1067177758 /nfs/dbraw/zinc/17/77/58/1067177758.db2.gz XQVNMHAJFBJNMH-MOPGFXCFSA-N 0 0 496.656 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CC1(C)C ZINC001451546291 1067177784 /nfs/dbraw/zinc/17/77/84/1067177784.db2.gz FRKWIVBIVREQAM-UHFFFAOYSA-N 0 0 455.521 4.777 20 0 JJADRN O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001451541640 1067177844 /nfs/dbraw/zinc/17/78/44/1067177844.db2.gz ZYNSJKSIVFPVJT-UHFFFAOYSA-N 0 0 456.366 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1(C)C ZINC001451547083 1067177954 /nfs/dbraw/zinc/17/79/54/1067177954.db2.gz IGFAICRLNCKDLS-UHFFFAOYSA-N 0 0 454.615 4.942 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1Cc1ccc(Cl)s1 ZINC001545827079 1067177870 /nfs/dbraw/zinc/17/78/70/1067177870.db2.gz ZRRQHLMUDRNLKU-AWEZNQCLSA-N 0 0 462.019 4.863 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1Cc1ccc(OC)nc1 ZINC001545827073 1067177891 /nfs/dbraw/zinc/17/78/91/1067177891.db2.gz ZRFNWCCAMQROJT-KRWDZBQOSA-N 0 0 476.581 4.592 20 0 JJADRN CN(C(=O)Cc1nnc(-c2ccccc2)n1C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458863884 1067177934 /nfs/dbraw/zinc/17/79/34/1067177934.db2.gz LCSDDKPYMPVYPW-SFHVURJKSA-N 0 0 456.390 4.805 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1CCCc2cccnc21 ZINC001545828267 1067178370 /nfs/dbraw/zinc/17/83/70/1067178370.db2.gz OUVIRKUXCXQLNE-JGBTYHIZSA-N 0 0 452.647 4.727 20 0 JJADRN O=C1NCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 ZINC001458865143 1067178402 /nfs/dbraw/zinc/17/84/02/1067178402.db2.gz ZVVDTQMFXMEOFI-INIZCTEOSA-N 0 0 450.511 4.759 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC001451570137 1067178543 /nfs/dbraw/zinc/17/85/43/1067178543.db2.gz ANLAGWXEBKVAEK-RDJZCZTQSA-N 0 0 451.405 4.581 20 0 JJADRN COc1ccc(SCCCC(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)cc1 ZINC001458865932 1067179096 /nfs/dbraw/zinc/17/90/96/1067179096.db2.gz UDFWKGXINWXJJF-IBGZPJMESA-N 0 0 454.596 4.747 20 0 JJADRN CCCc1c(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cnn1-c1ccccc1 ZINC001458866104 1067179106 /nfs/dbraw/zinc/17/91/06/1067179106.db2.gz WXMGVVQOAIRIFD-UHFFFAOYSA-N 0 0 455.555 4.933 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001545828577 1067179211 /nfs/dbraw/zinc/17/92/11/1067179211.db2.gz ZASXYWORAYLXNN-UHFFFAOYSA-N 0 0 472.581 4.735 20 0 JJADRN CCCc1c(NC(=O)Cc2cc3c(cc2Br)OCCO3)cnn1-c1ccccc1 ZINC001458866560 1067179206 /nfs/dbraw/zinc/17/92/06/1067179206.db2.gz YKUCRTAJKANDCE-UHFFFAOYSA-N 0 0 456.340 4.540 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001451577393 1067179773 /nfs/dbraw/zinc/17/97/73/1067179773.db2.gz QCKRMWZSZOTDGL-FXAWDEMLSA-N 0 0 456.587 4.602 20 0 JJADRN O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(COc2ccc(Br)cc2)o1 ZINC001458870699 1067180337 /nfs/dbraw/zinc/18/03/37/1067180337.db2.gz ATAPXZVQSOFGEP-MRXNPFEDSA-N 0 0 450.235 4.763 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)c1 ZINC001451593327 1067180443 /nfs/dbraw/zinc/18/04/43/1067180443.db2.gz WANOJNPQALXESI-UHFFFAOYSA-N 0 0 454.390 4.810 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001545829920 1067180488 /nfs/dbraw/zinc/18/04/88/1067180488.db2.gz JNVOEOTUEKBJIP-PXNSSMCTSA-N 0 0 474.650 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001545829910 1067180528 /nfs/dbraw/zinc/18/05/28/1067180528.db2.gz JKQBQMHKUTVDNY-NQIIRXRSSA-N 0 0 450.631 4.935 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@H](C)c1c(C)noc1C ZINC001545829802 1067180548 /nfs/dbraw/zinc/18/05/48/1067180548.db2.gz HBBHNNRTKNVUHK-AOMKIAJQSA-N 0 0 464.614 4.729 20 0 JJADRN COCCCn1c(SCc2cccc3ncccc23)nnc1-c1ccc(OC)c(OC)c1 ZINC001458872529 1067180745 /nfs/dbraw/zinc/18/07/45/1067180745.db2.gz AUTOFXIFHWGJOP-UHFFFAOYSA-N 0 0 450.564 4.839 20 0 JJADRN CCN(Cc1occc1C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001451627416 1067181096 /nfs/dbraw/zinc/18/10/96/1067181096.db2.gz AAKGEDIPYHMBEV-SFHVURJKSA-N 0 0 451.361 4.965 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N(C)c3ccc(C(=O)NC(C)(C)C)cc3)c2c1C ZINC001451614091 1067181124 /nfs/dbraw/zinc/18/11/24/1067181124.db2.gz FCNGDCQHNZGXTF-UHFFFAOYSA-N 0 0 456.637 4.982 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001458872978 1067181677 /nfs/dbraw/zinc/18/16/77/1067181677.db2.gz DKWXZPYKFCEINH-SBHAEUEKSA-N 0 0 452.636 4.821 20 0 JJADRN C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)C1CC1 ZINC001451644440 1067181822 /nfs/dbraw/zinc/18/18/22/1067181822.db2.gz XAJRXRCHUUVNMS-CYBMUJFWSA-N 0 0 450.461 4.574 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 ZINC001545830372 1067181811 /nfs/dbraw/zinc/18/18/11/1067181811.db2.gz SSWPJEOMRWRDOF-HXUWFJFHSA-N 0 0 482.673 4.501 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001451647807 1067182247 /nfs/dbraw/zinc/18/22/47/1067182247.db2.gz GLEHWIXXYLYYAJ-GOSISDBHSA-N 0 0 458.986 4.524 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545831873 1067182139 /nfs/dbraw/zinc/18/21/39/1067182139.db2.gz AEQQXILTSFJKHR-UEAVEIDSSA-N 0 0 489.668 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1C[C@H]1CCSC1(C)C ZINC001545830426 1067182171 /nfs/dbraw/zinc/18/21/71/1067182171.db2.gz USLJCOBMVBYSQQ-NFBKMPQASA-N 0 0 498.741 4.833 20 0 JJADRN Brc1cc2c(cc1CSc1nnc(NCCc3ccccc3)s1)OCO2 ZINC001458874281 1067182221 /nfs/dbraw/zinc/18/22/21/1067182221.db2.gz QJSZWNCVQRCXPG-UHFFFAOYSA-N 0 0 450.383 4.976 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)C2 ZINC001451645712 1067182452 /nfs/dbraw/zinc/18/24/52/1067182452.db2.gz WMWYPMGPCNWCIB-UHFFFAOYSA-N 0 0 452.429 4.619 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(C(=O)NCc3cccc(C)c3)cc1)C2 ZINC001451651886 1067183099 /nfs/dbraw/zinc/18/30/99/1067183099.db2.gz GGIUFNLHHJYCSK-UHFFFAOYSA-N 0 0 458.558 4.747 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1Br ZINC001458875836 1067183096 /nfs/dbraw/zinc/18/30/96/1067183096.db2.gz LCUJVXJMLXHXBK-LBPRGKRZSA-N 0 0 457.168 4.905 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC001458876264 1067183233 /nfs/dbraw/zinc/18/32/33/1067183233.db2.gz NYZBUZUCZWPSGQ-FUHWJXTLSA-N 0 0 450.526 4.722 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1C[C@H]1CCCc2cc(OC)ccc21 ZINC001545833760 1067183547 /nfs/dbraw/zinc/18/35/47/1067183547.db2.gz JQGITVBBGBVKTJ-LJQANCHMSA-N 0 0 496.681 4.727 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1c(C)sc(C)c1Br ZINC001545833623 1067183674 /nfs/dbraw/zinc/18/36/74/1067183674.db2.gz FARLUNTZNNLMCR-UHFFFAOYSA-N 0 0 496.397 4.684 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)CC1=O ZINC001451657216 1067183772 /nfs/dbraw/zinc/18/37/72/1067183772.db2.gz WMVTZUWLAHBDJQ-ACRUOGEOSA-N 0 0 456.627 4.914 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(OC)cc2I)c2cccc(Cl)c2O1 ZINC001458877135 1067183840 /nfs/dbraw/zinc/18/38/40/1067183840.db2.gz OQLAJJCEGBSPHB-NSHDSACASA-N 0 0 457.695 4.771 20 0 JJADRN C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1oc2ccccc2c1CSc1ncccn1)C1CC1 ZINC001451656369 1067183825 /nfs/dbraw/zinc/18/38/25/1067183825.db2.gz CVAVQNCEDCGCBF-OAHLLOKOSA-N 0 0 453.564 4.850 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)C1 ZINC001451654828 1067183832 /nfs/dbraw/zinc/18/38/32/1067183832.db2.gz RWXHWSLECWSQNP-KRWDZBQOSA-N 0 0 453.539 4.776 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)cs2)n1CCc1c[nH]c2ccccc12 ZINC001545834008 1067184198 /nfs/dbraw/zinc/18/41/98/1067184198.db2.gz STPMQJQHKLTSPJ-UHFFFAOYSA-N 0 0 464.639 4.927 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC1(SC)CCC1 ZINC001545833816 1067184217 /nfs/dbraw/zinc/18/42/17/1067184217.db2.gz LRBGRTSEKKGCLT-UHFFFAOYSA-N 0 0 468.042 4.911 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545833873 1067184327 /nfs/dbraw/zinc/18/43/27/1067184327.db2.gz NMLSLZMCTUCLQF-RDJZCZTQSA-N 0 0 486.608 4.967 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3n1C(F)F)CCC2 ZINC001458880565 1067184969 /nfs/dbraw/zinc/18/49/69/1067184969.db2.gz ZMWVLCLOKKALQX-UHFFFAOYSA-N 0 0 451.520 4.889 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@H]1CCSC1 ZINC001545834897 1067185365 /nfs/dbraw/zinc/18/53/65/1067185365.db2.gz FHNWPOYUYLTSQD-MRXNPFEDSA-N 0 0 469.577 4.605 20 0 JJADRN COc1ccc(Cn2nnnc2SCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1 ZINC001458882569 1067185483 /nfs/dbraw/zinc/18/54/83/1067185483.db2.gz MPVXUGJUBIVFMC-UHFFFAOYSA-N 0 0 454.987 4.537 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 ZINC001546033167 1067186302 /nfs/dbraw/zinc/18/63/02/1067186302.db2.gz PCZNHNPKNGBXGD-FQEVSTJZSA-N 0 0 463.667 4.570 20 0 JJADRN COc1ccc(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC001451682427 1067186388 /nfs/dbraw/zinc/18/63/88/1067186388.db2.gz DBKKZHYPLUKAPL-UHFFFAOYSA-N 0 0 456.539 4.938 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC001458885263 1067186582 /nfs/dbraw/zinc/18/65/82/1067186582.db2.gz HKEANSSYRLNVAP-FQEVSTJZSA-N 0 0 459.384 4.675 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1Cc2ccccc2C1 ZINC001546033240 1067187039 /nfs/dbraw/zinc/18/70/39/1067187039.db2.gz RLNZWXUXHYYOOA-JOCHJYFZSA-N 0 0 497.684 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1CC1(C)CCCC1 ZINC001545835338 1067187164 /nfs/dbraw/zinc/18/71/64/1067187164.db2.gz UQNMITWJXUCFSS-UHFFFAOYSA-N 0 0 466.424 4.769 20 0 JJADRN C[C@H]1CCc2c(sc3nc(SC[C@@](C)(O)C(F)F)n(-c4ccccc4F)c(=O)c23)C1 ZINC001458888379 1067187346 /nfs/dbraw/zinc/18/73/46/1067187346.db2.gz OFFLLNLATIYGFB-WIUDPPPLSA-N 0 0 454.539 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CCc1csc(C)n1 ZINC001545835465 1067187598 /nfs/dbraw/zinc/18/75/98/1067187598.db2.gz YZQTUAGYJMXWCN-UHFFFAOYSA-N 0 0 466.611 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1Cc1ccncc1Cl ZINC001545836194 1067188531 /nfs/dbraw/zinc/18/85/31/1067188531.db2.gz FFWPWFUDAWKFQC-UHFFFAOYSA-N 0 0 461.397 4.583 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)CSc3nnc(-c4cccc(Cl)c4)o3)cc2)C[C@H](C)O1 ZINC001458892456 1067188568 /nfs/dbraw/zinc/18/85/68/1067188568.db2.gz HXXLNUJXBSULLP-GJZGRUSLSA-N 0 0 458.971 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001451730239 1067188913 /nfs/dbraw/zinc/18/89/13/1067188913.db2.gz GDYMIXPLCCMPIT-AZUAARDMSA-N 0 0 451.007 4.899 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451730433 1067188925 /nfs/dbraw/zinc/18/89/25/1067188925.db2.gz GNCNDRASWMNRNC-HIFRSBDPSA-N 0 0 455.805 4.736 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451733428 1067189010 /nfs/dbraw/zinc/18/90/10/1067189010.db2.gz JFGWOJMFCQMEHF-JTHBVZDNSA-N 0 0 454.014 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1csc(-c2ccco2)n1 ZINC001545836381 1067189703 /nfs/dbraw/zinc/18/97/03/1067189703.db2.gz LBXWSRXJJQPUOT-UHFFFAOYSA-N 0 0 482.585 4.737 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1C[C@H](OC)C(C)(C)C ZINC001545836484 1067189734 /nfs/dbraw/zinc/18/97/34/1067189734.db2.gz ORRBVUCIVNVSJR-IBGZPJMESA-N 0 0 483.579 4.913 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1CCSC(F)(F)F ZINC001545836475 1067189801 /nfs/dbraw/zinc/18/98/01/1067189801.db2.gz OKYYMMRDBSCPRE-UHFFFAOYSA-N 0 0 463.957 4.739 20 0 JJADRN C[C@@H]1[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001451735728 1067189787 /nfs/dbraw/zinc/18/97/87/1067189787.db2.gz CYUSCJXBAXOXII-PTUXOGIPSA-N 0 0 481.593 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001545836738 1067190104 /nfs/dbraw/zinc/19/01/04/1067190104.db2.gz XKPBOEWGOLGNLW-TZIWHRDSSA-N 0 0 470.637 4.571 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2nnc(SCCCc3cccc4ccccc43)n2c1 ZINC001458900155 1067190092 /nfs/dbraw/zinc/19/00/92/1067190092.db2.gz IAKMYHDTZDNDRC-UHFFFAOYSA-N 0 0 454.621 4.638 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001545836562 1067190110 /nfs/dbraw/zinc/19/01/10/1067190110.db2.gz RCBIBSHUXHBZMB-MRXNPFEDSA-N 0 0 484.645 4.602 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)CCCN1C(=O)OC(C)(C)C ZINC001451739155 1067190265 /nfs/dbraw/zinc/19/02/65/1067190265.db2.gz MWSNTZVBSLZMIR-DNVCBOLYSA-N 0 0 466.420 4.567 20 0 JJADRN CC1CCN(c2nnc(SCCOc3ccc(F)c(Cl)c3)n2C[C@@H]2CCCO2)CC1 ZINC001458899884 1067190176 /nfs/dbraw/zinc/19/01/76/1067190176.db2.gz GURNJJXMGARFCR-KRWDZBQOSA-N 0 0 454.999 4.657 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451741858 1067190827 /nfs/dbraw/zinc/19/08/27/1067190827.db2.gz OQOPOKPBVQPWAP-ZSXPUABSSA-N 0 0 475.630 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2csc(Br)c2)n1CC[C@H]1C[C@H](F)C1 ZINC001545837490 1067190855 /nfs/dbraw/zinc/19/08/55/1067190855.db2.gz FJIOTYSIZXXQSR-CTYIDZIISA-N 0 0 486.455 4.795 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)NCc3ccc(C(C)=O)c(C)n3)cc2s1 ZINC001545836843 1067190962 /nfs/dbraw/zinc/19/09/62/1067190962.db2.gz BVAJVFUYEDAXGC-UHFFFAOYSA-N 0 0 452.561 4.946 20 0 JJADRN Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)oc1C ZINC001458903507 1067190937 /nfs/dbraw/zinc/19/09/37/1067190937.db2.gz LEQKDBGVKBGXAK-UHFFFAOYSA-N 0 0 455.605 4.893 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC001451741998 1067190894 /nfs/dbraw/zinc/19/08/94/1067190894.db2.gz ZTCPQBULKCAUCL-DNVCBOLYSA-N 0 0 466.022 4.520 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458903930 1067191416 /nfs/dbraw/zinc/19/14/16/1067191416.db2.gz JSJBYDBOUYDFOB-MHZLTWQESA-N 0 0 455.558 4.665 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2SC)n1C[C@@H]1CCCCS1 ZINC001545837754 1067191409 /nfs/dbraw/zinc/19/14/09/1067191409.db2.gz PCZDDFOOUZXHCJ-IBGZPJMESA-N 0 0 461.701 4.841 20 0 JJADRN CN(CCC1CCN(C(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC1)C(=O)OC(C)(C)C ZINC001545838146 1067191419 /nfs/dbraw/zinc/19/14/19/1067191419.db2.gz DBXNOHUSYAETEZ-LJQANCHMSA-N 0 0 450.023 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CSc3n[nH]c(C=Cc4ccccc4)n3)C2)CC1 ZINC001458904171 1067191435 /nfs/dbraw/zinc/19/14/35/1067191435.db2.gz RARGTAZZENXEJF-VJIACCKLSA-N 0 0 456.612 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CSc3n[nH]c(C=Cc4ccccc4)n3)C2)CC1 ZINC001458904169 1067191452 /nfs/dbraw/zinc/19/14/52/1067191452.db2.gz RARGTAZZENXEJF-JBVUFVISSA-N 0 0 456.612 4.873 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001451798549 1067192044 /nfs/dbraw/zinc/19/20/44/1067192044.db2.gz JONJZJMSRAJMKK-FUHWJXTLSA-N 0 0 457.409 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001545838759 1067192125 /nfs/dbraw/zinc/19/21/25/1067192125.db2.gz CLESMMFIOCIMOP-UHFFFAOYSA-N 0 0 468.602 4.758 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc2cc(C)c(C)cc2o1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905897 1067192057 /nfs/dbraw/zinc/19/20/57/1067192057.db2.gz QYVTWCBHZKUMRY-RUZDIDTESA-N 0 0 459.546 4.945 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904684 1067192079 /nfs/dbraw/zinc/19/20/79/1067192079.db2.gz NMSARXJCZYUEHX-DEIPZHPTSA-N 0 0 459.590 4.907 20 0 JJADRN O=C(OCc1cc(Cl)c(Br)c(Cl)c1)c1cccn(CC(F)(F)F)c1=O ZINC001458904702 1067192141 /nfs/dbraw/zinc/19/21/41/1067192141.db2.gz NTRBGTGRIQEUGO-UHFFFAOYSA-N 0 0 459.045 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC[C@@]3(C)Cc3ccc(F)cc3)nc2C1 ZINC001451797499 1067192164 /nfs/dbraw/zinc/19/21/64/1067192164.db2.gz LLXGCGSTPRFNOP-SANMLTNESA-N 0 0 453.558 4.751 20 0 JJADRN Cc1cc(C)c(CC(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c(C)c1Br ZINC001451796148 1067192195 /nfs/dbraw/zinc/19/21/95/1067192195.db2.gz GDOFCESQRMWRRB-KRWDZBQOSA-N 0 0 457.409 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545839145 1067192557 /nfs/dbraw/zinc/19/25/57/1067192557.db2.gz RJDBSAHPIVCZGX-SAABIXHNSA-N 0 0 463.548 4.936 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC001458907017 1067192588 /nfs/dbraw/zinc/19/25/88/1067192588.db2.gz JLLVIYWSHLONOM-DEOSSOPVSA-N 0 0 453.564 4.504 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)c1c(C)nn(Cc2ccccc2)c1C ZINC001458908390 1067192994 /nfs/dbraw/zinc/19/29/94/1067192994.db2.gz XJTXNGPKOQPBEI-GSLIJJQTSA-N 0 0 459.590 4.635 20 0 JJADRN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001451807641 1067193086 /nfs/dbraw/zinc/19/30/86/1067193086.db2.gz ZHRRIJQQUMQCSX-KEGXSBDUSA-N 0 0 450.620 4.523 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C[C@H](CC)O1 ZINC001451814844 1067193134 /nfs/dbraw/zinc/19/31/34/1067193134.db2.gz ZBGBYWJKKJNMOQ-OYRHEFFESA-N 0 0 459.384 4.660 20 0 JJADRN CC[C@H]1CN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C[C@H](CC)O1 ZINC001451814858 1067193213 /nfs/dbraw/zinc/19/32/13/1067193213.db2.gz ZBGBYWJKKJNMOQ-SFTDATJTSA-N 0 0 459.384 4.660 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)CCC(=O)c1ccc(OC)c(OC)c1OC ZINC001451852007 1067194003 /nfs/dbraw/zinc/19/40/03/1067194003.db2.gz ASJBZTBLSCPNTO-GOSISDBHSA-N 0 0 455.551 4.545 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1cc(Cl)ccc1OC ZINC001545840796 1067193894 /nfs/dbraw/zinc/19/38/94/1067193894.db2.gz NNNRXRHHXYPLSS-QGZVFWFLSA-N 0 0 460.022 4.699 20 0 JJADRN O=C(Cc1cc(Cl)cc2ccccc21)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001458913102 1067194836 /nfs/dbraw/zinc/19/48/36/1067194836.db2.gz JMGVWMIVPGGNAV-UHFFFAOYSA-N 0 0 454.905 4.645 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001458912988 1067194842 /nfs/dbraw/zinc/19/48/42/1067194842.db2.gz JEZXVDLALSMTAT-UHFFFAOYSA-N 0 0 456.559 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545842501 1067195093 /nfs/dbraw/zinc/19/50/93/1067195093.db2.gz ZYYKRURIXOTPFI-QZTJIDSGSA-N 0 0 476.065 4.732 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC001451861996 1067195245 /nfs/dbraw/zinc/19/52/45/1067195245.db2.gz WOUNOPADZJJTIX-FAJBIJEISA-N 0 0 451.007 4.947 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC(C)C)C(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001545843720 1067195682 /nfs/dbraw/zinc/19/56/82/1067195682.db2.gz GUKQVMWQCWHCFU-PZJWPPBQSA-N 0 0 492.709 4.713 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@H]1c1ccc(Br)cc1 ZINC001451874061 1067195808 /nfs/dbraw/zinc/19/58/08/1067195808.db2.gz KCYXYSBKTFCMOM-RBUKOAKNSA-N 0 0 478.408 4.506 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001545844228 1067196233 /nfs/dbraw/zinc/19/62/33/1067196233.db2.gz XPESGIPOXJXXMV-GHTZIAJQSA-N 0 0 490.693 4.611 20 0 JJADRN CCc1cc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)nn1C ZINC001451882337 1067196549 /nfs/dbraw/zinc/19/65/49/1067196549.db2.gz ZWBZNYMWPOUOCR-UHFFFAOYSA-N 0 0 454.596 4.578 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001451900928 1067196587 /nfs/dbraw/zinc/19/65/87/1067196587.db2.gz PWVJILSRRLQKLH-HZPDHXFCSA-N 0 0 453.461 4.926 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)OC(C)(C)C)s2)cc1 ZINC001451880670 1067196678 /nfs/dbraw/zinc/19/66/78/1067196678.db2.gz JSKREJZWPWAAMQ-YWZLYKJASA-N 0 0 458.580 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)[C@@H]2C1 ZINC001451904068 1067197273 /nfs/dbraw/zinc/19/72/73/1067197273.db2.gz NKYGUKYXFWOHNX-YLJYHZDGSA-N 0 0 461.484 4.849 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001451901722 1067197333 /nfs/dbraw/zinc/19/73/33/1067197333.db2.gz UJNOYUXYCHXYSY-IAGOWNOFSA-N 0 0 476.980 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1Cc1ccc(F)c(F)c1 ZINC001545845568 1067197345 /nfs/dbraw/zinc/19/73/45/1067197345.db2.gz KNDLLBNDIZKEAC-UHFFFAOYSA-N 0 0 459.566 4.754 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001458921029 1067197790 /nfs/dbraw/zinc/19/77/90/1067197790.db2.gz CORNOHUKSWKJCV-UHFFFAOYSA-N 0 0 451.336 4.885 20 0 JJADRN O=C(c1cc(F)c(Br)cc1F)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC001451918776 1067197921 /nfs/dbraw/zinc/19/79/21/1067197921.db2.gz JVFIUMAWBADCQM-GOSISDBHSA-N 0 0 452.686 4.892 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC001451912535 1067198160 /nfs/dbraw/zinc/19/81/60/1067198160.db2.gz GXIXUPGIINMNFM-FQEVSTJZSA-N 0 0 451.567 4.628 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)s1 ZINC001458922684 1067198351 /nfs/dbraw/zinc/19/83/51/1067198351.db2.gz SRKFQVGJZAIQNX-UHFFFAOYSA-N 0 0 456.976 4.950 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)s1 ZINC001451920356 1067198646 /nfs/dbraw/zinc/19/86/46/1067198646.db2.gz NPQOCLZQXFSILT-LJQANCHMSA-N 0 0 450.789 4.912 20 0 JJADRN O=C(c1cc(Br)c(F)cc1F)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC001451923499 1067198742 /nfs/dbraw/zinc/19/87/42/1067198742.db2.gz QSJJEYQZVNKWQG-SFHVURJKSA-N 0 0 452.686 4.892 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@@H]1OCCC1(C)C ZINC001545846002 1067198752 /nfs/dbraw/zinc/19/87/52/1067198752.db2.gz YITXBYABZHOUBK-NRFANRHFSA-N 0 0 459.610 4.566 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2nc(C)cs2)C1 ZINC001546104781 1067198932 /nfs/dbraw/zinc/19/89/32/1067198932.db2.gz IZRDZRMUINEKOJ-KOSHJBKYSA-N 0 0 461.676 4.904 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)s1 ZINC001451928205 1067199232 /nfs/dbraw/zinc/19/92/32/1067199232.db2.gz YZVAVGWVJNIJDI-KRWDZBQOSA-N 0 0 459.959 4.655 20 0 JJADRN O=C(CSc1ccc(Br)cn1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC001458926883 1067199285 /nfs/dbraw/zinc/19/92/85/1067199285.db2.gz CSGISAMZTZZZLS-UHFFFAOYSA-N 0 0 453.317 4.620 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(Br)cn2ccnc12 ZINC001458926533 1067199299 /nfs/dbraw/zinc/19/92/99/1067199299.db2.gz DSIREEJDSPSZHQ-UHFFFAOYSA-N 0 0 457.553 4.785 20 0 JJADRN C[C@@H](S[C@@H](C)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458927225 1067199322 /nfs/dbraw/zinc/19/93/22/1067199322.db2.gz AYHACWZIMRMAOZ-DLBZAZTESA-N 0 0 450.601 4.822 20 0 JJADRN Cc1sc2nc(S[C@H]([C@@H]3CCOC3)C(F)(F)F)n(Cc3ccccn3)c(=O)c2c1C ZINC001458925535 1067199401 /nfs/dbraw/zinc/19/94/01/1067199401.db2.gz VGDNDTJYQZLTRW-CZUORRHYSA-N 0 0 455.527 4.578 20 0 JJADRN C[C@@H](S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F ZINC001458927237 1067200007 /nfs/dbraw/zinc/20/00/07/1067200007.db2.gz AYHACWZIMRMAOZ-SJORKVTESA-N 0 0 450.601 4.822 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451941649 1067200037 /nfs/dbraw/zinc/20/00/37/1067200037.db2.gz KOHHEKLMHNCWPI-HZPDHXFCSA-N 0 0 451.361 4.925 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451941655 1067200116 /nfs/dbraw/zinc/20/01/16/1067200116.db2.gz KOHHEKLMHNCWPI-JKSUJKDBSA-N 0 0 451.361 4.925 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001458929735 1067200153 /nfs/dbraw/zinc/20/01/53/1067200153.db2.gz MKIKISJWORQRAP-YJBOKZPZSA-N 0 0 455.967 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001545848660 1067200413 /nfs/dbraw/zinc/20/04/13/1067200413.db2.gz DPXUVFAFRCBAKR-LJQANCHMSA-N 0 0 497.688 4.647 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001458931418 1067200530 /nfs/dbraw/zinc/20/05/30/1067200530.db2.gz OVGXNKHKHWKVJQ-OAHLLOKOSA-N 0 0 459.775 4.582 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC001458930582 1067200587 /nfs/dbraw/zinc/20/05/87/1067200587.db2.gz KIMZINVDJMRLKK-YOEHRIQHSA-N 0 0 453.589 4.912 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1(C)C ZINC001451950922 1067200559 /nfs/dbraw/zinc/20/05/59/1067200559.db2.gz SPWURTPDDIXSIC-IRXDYDNUSA-N 0 0 451.405 4.679 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451953490 1067200695 /nfs/dbraw/zinc/20/06/95/1067200695.db2.gz UZSOLKZVGAVASI-MAZHCROVSA-N 0 0 457.434 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C1CC(C(C)(C)C)C1 ZINC001545848662 1067200619 /nfs/dbraw/zinc/20/06/19/1067200619.db2.gz DQEKGLWNFFOXNF-KTLDDFEXSA-N 0 0 490.693 4.543 20 0 JJADRN CC[C@@]1(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001458933262 1067201052 /nfs/dbraw/zinc/20/10/52/1067201052.db2.gz RCBWIUUGLAMEEG-HOYKHHGWSA-N 0 0 456.612 4.982 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC001458933664 1067201172 /nfs/dbraw/zinc/20/11/72/1067201172.db2.gz VLHLFTLOTPPDJT-UHFFFAOYSA-N 0 0 455.352 4.504 20 0 JJADRN CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC001458932787 1067201183 /nfs/dbraw/zinc/20/11/83/1067201183.db2.gz FWGQIOXOYQSWJY-MRXNPFEDSA-N 0 0 458.868 4.987 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001458932438 1067201220 /nfs/dbraw/zinc/20/12/20/1067201220.db2.gz RQQPSRIBFWSDRL-UHFFFAOYSA-N 0 0 455.690 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545848977 1067201769 /nfs/dbraw/zinc/20/17/69/1067201769.db2.gz IODVZZQLMWKISA-NQIIRXRSSA-N 0 0 468.646 4.586 20 0 JJADRN CCOC(=O)c1c(C[C@H](C)CC)c(C)sc1NC(=O)CSc1nnc(C(C)C)n1C ZINC001458936522 1067202346 /nfs/dbraw/zinc/20/23/46/1067202346.db2.gz RJAMYGPXFYPVPQ-CYBMUJFWSA-N 0 0 452.646 4.805 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1CCc1cc(Br)ccc1F ZINC001545849324 1067202589 /nfs/dbraw/zinc/20/25/89/1067202589.db2.gz NHXXZZGAICNQQB-HNAYVOBHSA-N 0 0 494.453 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 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OSALZUZSPLSACD-QFIPXVFZSA-N 0 0 455.923 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cn2c(=O)onc2-c2cccc(Oc3ccccc3)c2)CC1 ZINC001458948196 1067205250 /nfs/dbraw/zinc/20/52/50/1067205250.db2.gz KJYGLHXZPDPEJI-UHFFFAOYSA-N 0 0 451.523 4.943 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC001458947724 1067205354 /nfs/dbraw/zinc/20/53/54/1067205354.db2.gz BESJABJCVPGGTR-UHFFFAOYSA-N 0 0 453.347 4.544 20 0 JJADRN CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546035370 1067205529 /nfs/dbraw/zinc/20/55/29/1067205529.db2.gz QNQUWJDVQJERTO-RTBURBONSA-N 0 0 465.683 4.547 20 0 JJADRN CCc1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458950687 1067205779 /nfs/dbraw/zinc/20/57/79/1067205779.db2.gz BUPUXBVAOJKMQY-UHFFFAOYSA-N 0 0 455.440 4.575 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001546105046 1067205851 /nfs/dbraw/zinc/20/58/51/1067205851.db2.gz SBHILEVHAIYKSZ-LJQANCHMSA-N 0 0 482.597 4.530 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001546035658 1067206561 /nfs/dbraw/zinc/20/65/61/1067206561.db2.gz WMFBSWNYNBNBNK-HXUWFJFHSA-N 0 0 495.734 4.522 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1ccc(=O)c2sccc21 ZINC001458952115 1067206806 /nfs/dbraw/zinc/20/68/06/1067206806.db2.gz YKATYKGHCIKLRY-UHFFFAOYSA-N 0 0 452.557 4.915 20 0 JJADRN CCc1c(NC(=O)Cc2ccccc2O[C@@H]2CCOC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458952371 1067206868 /nfs/dbraw/zinc/20/68/68/1067206868.db2.gz GEHMMKSBTXYVEZ-LJQANCHMSA-N 0 0 459.468 4.802 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)C[C@@]3(O)CCc4ccccc43)c2)cc1 ZINC001452108972 1067207548 /nfs/dbraw/zinc/20/75/48/1067207548.db2.gz VCQCGXXOVUGSBB-LJAQVGFWSA-N 0 0 457.570 4.693 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)N1CCC(C2CCOCC2)CC1 ZINC001452114251 1067207643 /nfs/dbraw/zinc/20/76/43/1067207643.db2.gz XMSFZSIFBYTLBD-UHFFFAOYSA-N 0 0 455.443 4.842 20 0 JJADRN Cc1c(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)nnn1-c1ccc(F)c(F)c1 ZINC001458955164 1067207852 /nfs/dbraw/zinc/20/78/52/1067207852.db2.gz HRAOCMVNPDOQEN-LLVKDONJSA-N 0 0 455.292 4.700 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001452130962 1067208251 /nfs/dbraw/zinc/20/82/51/1067208251.db2.gz KFRUEIJZYPWPMB-VHPHOLNESA-N 0 0 455.640 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)c2ccccc21 ZINC001452124137 1067208328 /nfs/dbraw/zinc/20/83/28/1067208328.db2.gz DCFOIINZBNCGDB-KKLQWCBXSA-N 0 0 451.567 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC(c3ncco3)CC2)CC1 ZINC001452136887 1067208368 /nfs/dbraw/zinc/20/83/68/1067208368.db2.gz NWHSHJWKOOUSDY-UHFFFAOYSA-N 0 0 453.583 4.884 20 0 JJADRN CN(C)c1cccc(-c2nnc(SCc3cc(Br)c4ccccc4c3)n2N)c1 ZINC001458957197 1067208527 /nfs/dbraw/zinc/20/85/27/1067208527.db2.gz ZCXOCHOFMAVJAX-UHFFFAOYSA-N 0 0 454.397 4.933 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2oc3ccccc3c2C)cc1S(=O)(=O)NC1CCCC1 ZINC001458958786 1067209000 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REJYXAMQNCSFQS-KSMMKXTCSA-N 0 0 456.366 4.568 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)CCSc1ccc(Br)cc1)C1CC1 ZINC001452158886 1067211093 /nfs/dbraw/zinc/21/10/93/1067211093.db2.gz JNSKHFIDVQBZHY-UHFFFAOYSA-N 0 0 457.434 4.837 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)CCCOc1cccc(Br)c1)C1CC1 ZINC001452160101 1067211106 /nfs/dbraw/zinc/21/11/06/1067211106.db2.gz CEUZLZOSVBMFLF-UHFFFAOYSA-N 0 0 455.393 4.514 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(CCc2ccccc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001458964978 1067211597 /nfs/dbraw/zinc/21/15/97/1067211597.db2.gz VPNXALNODWWEOQ-CQSZACIVSA-N 0 0 451.470 4.723 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)[C@H]1CCc2cc(Br)ccc21 ZINC001452179251 1067212592 /nfs/dbraw/zinc/21/25/92/1067212592.db2.gz MCLCKHFHHNPGGC-ROUUACIJSA-N 0 0 458.274 4.617 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001546036634 1067212754 /nfs/dbraw/zinc/21/27/54/1067212754.db2.gz CHERCWLGJUUDQC-GOSISDBHSA-N 0 0 474.955 4.621 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)[C@H]1CCc2cc(Br)ccc21 ZINC001452179254 1067212795 /nfs/dbraw/zinc/21/27/95/1067212795.db2.gz MCLCKHFHHNPGGC-ZWKOTPCHSA-N 0 0 458.274 4.617 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452183917 1067213112 /nfs/dbraw/zinc/21/31/12/1067213112.db2.gz SLAQMGBADPWOCV-GOSISDBHSA-N 0 0 450.482 4.794 20 0 JJADRN O=C(N[C@@H](C1CCC1)C1CCCCC1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC001452185269 1067213207 /nfs/dbraw/zinc/21/32/07/1067213207.db2.gz JELNFZRIHVWNQX-LJQANCHMSA-N 0 0 452.667 4.767 20 0 JJADRN O=C(CSc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458969691 1067213237 /nfs/dbraw/zinc/21/32/37/1067213237.db2.gz POJUZBWGBHZIDT-UHFFFAOYSA-N 0 0 459.420 4.899 20 0 JJADRN COC(=O)c1cccc2c1CN(C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001452194262 1067213589 /nfs/dbraw/zinc/21/35/89/1067213589.db2.gz RFTGYSHRQRCWCK-UHFFFAOYSA-N 0 0 458.599 4.565 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)C(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001452192417 1067213858 /nfs/dbraw/zinc/21/38/58/1067213858.db2.gz QDJNYORFQVTAEX-MRXNPFEDSA-N 0 0 450.423 4.577 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001458975014 1067214234 /nfs/dbraw/zinc/21/42/34/1067214234.db2.gz IJZOJOMKBNSXQJ-JOCHJYFZSA-N 0 0 457.954 4.578 20 0 JJADRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001458973272 1067214358 /nfs/dbraw/zinc/21/43/58/1067214358.db2.gz NUOKSLRARQQAFF-UHFFFAOYSA-N 0 0 451.380 4.940 20 0 JJADRN Cc1cnnn1-c1ccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001452216274 1067214406 /nfs/dbraw/zinc/21/44/06/1067214406.db2.gz FKYFUOTWSJGOQR-UHFFFAOYSA-N 0 0 458.469 4.511 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001458975732 1067214866 /nfs/dbraw/zinc/21/48/66/1067214866.db2.gz JRIDIPNTCYFXGA-QGZVFWFLSA-N 0 0 454.514 4.995 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)CC1 ZINC001458975205 1067214890 /nfs/dbraw/zinc/21/48/90/1067214890.db2.gz UVQRMFVTAIWOCI-UHFFFAOYSA-N 0 0 452.555 4.852 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)Sc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1 ZINC001458975550 1067214924 /nfs/dbraw/zinc/21/49/24/1067214924.db2.gz DJCNUWZTYNEJCH-CVEARBPZSA-N 0 0 451.983 4.886 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 ZINC001546036921 1067215132 /nfs/dbraw/zinc/21/51/32/1067215132.db2.gz NLADMBYIKBIJJA-UHFFFAOYSA-N 0 0 458.672 4.685 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2F)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001546037048 1067215698 /nfs/dbraw/zinc/21/56/98/1067215698.db2.gz RCTGJGBYCTXWHW-UHFFFAOYSA-N 0 0 494.537 4.616 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)c1coc(C2CCC2)n1 ZINC001458978428 1067215639 /nfs/dbraw/zinc/21/56/39/1067215639.db2.gz DCRLRJIONURLRI-UHFFFAOYSA-N 0 0 451.182 4.923 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cc4ccccc4o3)o2)cc1OC ZINC001458978595 1067216239 /nfs/dbraw/zinc/21/62/39/1067216239.db2.gz FJYMMHPDEWAGDD-CQSZACIVSA-N 0 0 453.520 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CCc4sc(Cl)cc4C3)on2)CC1 ZINC001452248836 1067216412 /nfs/dbraw/zinc/21/64/12/1067216412.db2.gz QHSDTJQIOKVPBE-UHFFFAOYSA-N 0 0 451.976 4.703 20 0 JJADRN COCCN1[C@H](C)CN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)C[C@@H]1C ZINC001452261207 1067216703 /nfs/dbraw/zinc/21/67/03/1067216703.db2.gz STZRYOMSFNDWPV-CALCHBBNSA-N 0 0 459.637 4.671 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452260482 1067216726 /nfs/dbraw/zinc/21/67/26/1067216726.db2.gz YGHVSBIEFMMQPY-KUHUBIRLSA-N 0 0 451.489 4.639 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001452259369 1067216799 /nfs/dbraw/zinc/21/67/99/1067216799.db2.gz XERFAWXJUMVCOM-XJKSGUPXSA-N 0 0 452.382 4.927 20 0 JJADRN O=C(NCc1nc(Cc2ccccc2)no1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001458981154 1067217101 /nfs/dbraw/zinc/21/71/01/1067217101.db2.gz LTNLEVTUQHGPSF-UHFFFAOYSA-N 0 0 458.209 4.511 20 0 JJADRN CNC(=O)[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 ZINC001458981568 1067217112 /nfs/dbraw/zinc/21/71/12/1067217112.db2.gz YAUQWGZFBHRODE-HSZRJFAPSA-N 0 0 458.587 4.701 20 0 JJADRN Cc1ccccc1C[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC001458981250 1067217181 /nfs/dbraw/zinc/21/71/81/1067217181.db2.gz XTHWFFGOQXYXFD-QGZVFWFLSA-N 0 0 452.605 4.796 20 0 JJADRN CNC(=O)[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 ZINC001458981569 1067217256 /nfs/dbraw/zinc/21/72/56/1067217256.db2.gz YAUQWGZFBHRODE-QHCPKHFHSA-N 0 0 458.587 4.701 20 0 JJADRN Cc1ccccc1C[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105320 1067217781 /nfs/dbraw/zinc/21/77/81/1067217781.db2.gz DBIJMBXREFMSOU-INIZCTEOSA-N 0 0 458.967 4.972 20 0 JJADRN Cc1sc(-n2cccc2)c(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001452274306 1067217768 /nfs/dbraw/zinc/21/77/68/1067217768.db2.gz HQWPFGUFKQWQDA-FQEVSTJZSA-N 0 0 453.583 4.853 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001452275433 1067217838 /nfs/dbraw/zinc/21/78/38/1067217838.db2.gz VODLPXNNFVAJJO-SQGPQFPESA-N 0 0 450.362 4.611 20 0 JJADRN CCOc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)cc1 ZINC001458983035 1067218088 /nfs/dbraw/zinc/21/80/88/1067218088.db2.gz UULFUPWQCXEQCB-UHFFFAOYSA-N 0 0 451.939 4.751 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)c2ccc(C3SCCS3)cc2)C1)NCc1ccc(F)cc1 ZINC001452277385 1067218402 /nfs/dbraw/zinc/21/84/02/1067218402.db2.gz MGNWLYFBTDTZHT-SFHVURJKSA-N 0 0 458.624 4.863 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2F)CCCC1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001458983880 1067218613 /nfs/dbraw/zinc/21/86/13/1067218613.db2.gz ONQZLNXCWDMLJT-UHFFFAOYSA-N 0 0 450.341 4.904 20 0 JJADRN CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC001458984123 1067219198 /nfs/dbraw/zinc/21/91/98/1067219198.db2.gz GSPYCRLXTGWSPF-UHFFFAOYSA-N 0 0 450.568 4.535 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458985801 1067219759 /nfs/dbraw/zinc/21/97/59/1067219759.db2.gz ZYWFZRJACKSKSM-NSHDSACASA-N 0 0 453.454 4.570 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2ccncc2)C1 ZINC001546104914 1067220054 /nfs/dbraw/zinc/22/00/54/1067220054.db2.gz NOZJQZWEILBNBL-UHFFFAOYSA-N 0 0 465.598 4.625 20 0 JJADRN CC(C)Oc1cccc(-c2nnc(S[C@@H](C(=O)Nc3ccccc3)c3ccccc3)n2N)c1 ZINC001458986075 1067220125 /nfs/dbraw/zinc/22/01/25/1067220125.db2.gz FEBJMLGSPHYICM-JOCHJYFZSA-N 0 0 459.575 4.918 20 0 JJADRN CC(C)Oc1cccc(-c2nnc(S[C@H](C(=O)Nc3ccccc3)c3ccccc3)n2N)c1 ZINC001458986076 1067220162 /nfs/dbraw/zinc/22/01/62/1067220162.db2.gz FEBJMLGSPHYICM-QFIPXVFZSA-N 0 0 459.575 4.918 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC001458987303 1067220584 /nfs/dbraw/zinc/22/05/84/1067220584.db2.gz CDGNXLJLHXGZSH-GOSISDBHSA-N 0 0 459.633 4.853 20 0 JJADRN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458987652 1067221222 /nfs/dbraw/zinc/22/12/22/1067221222.db2.gz ZBLZZFCHJSSIMQ-HNNXBMFYSA-N 0 0 454.531 4.622 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncco1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452400736 1067221289 /nfs/dbraw/zinc/22/12/89/1067221289.db2.gz GHBUSQVSDAHSPD-PMACEKPBSA-N 0 0 458.345 4.686 20 0 JJADRN O=C(Nc1ccnc(OCc2ccccc2)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001452393539 1067221317 /nfs/dbraw/zinc/22/13/17/1067221317.db2.gz BTDBCQREYDXUNE-GOSISDBHSA-N 0 0 456.329 4.959 20 0 JJADRN CCc1nc(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)nn1-c1c(Cl)cccc1Cl ZINC001452395648 1067221490 /nfs/dbraw/zinc/22/14/90/1067221490.db2.gz ADOAWCVVBFRDHI-KRWDZBQOSA-N 0 0 456.333 4.838 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2F)nnc1-c1ccc(C)cc1 ZINC001458989966 1067221727 /nfs/dbraw/zinc/22/17/27/1067221727.db2.gz AXAFIXAGUZJDQU-UHFFFAOYSA-N 0 0 450.543 4.637 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl ZINC001452413934 1067222308 /nfs/dbraw/zinc/22/23/08/1067222308.db2.gz GAZHABOQXIQIMH-GOSISDBHSA-N 0 0 452.986 4.972 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001452413984 1067222443 /nfs/dbraw/zinc/22/24/43/1067222443.db2.gz AAIVOAWIOAHJAF-LRQRDZAKSA-N 0 0 458.345 4.601 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(F)ccc3F)nnc2-c2ccco2)cc1 ZINC001458992166 1067222471 /nfs/dbraw/zinc/22/24/71/1067222471.db2.gz GEJZAHRSMQQFGG-ZDUSSCGKSA-N 0 0 456.474 4.933 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001452419193 1067222806 /nfs/dbraw/zinc/22/28/06/1067222806.db2.gz OLKCYNGGGVTCNQ-XMMPIXPASA-N 0 0 458.558 4.781 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001458993332 1067222890 /nfs/dbraw/zinc/22/28/90/1067222890.db2.gz BIFMMFXSDKZBDD-UHFFFAOYSA-N 0 0 455.274 4.959 20 0 JJADRN C[C@@](CO)(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(Br)cc1 ZINC001452427175 1067223347 /nfs/dbraw/zinc/22/33/47/1067223347.db2.gz YBYQNZKCRIJWAZ-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN CCC(=O)c1ccc(OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c(F)c1 ZINC001458995348 1067223770 /nfs/dbraw/zinc/22/37/70/1067223770.db2.gz DAKKQNYMQVDLRR-LJQANCHMSA-N 0 0 451.494 4.938 20 0 JJADRN O=C(Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1ccc(Br)cc1Cl ZINC001452432954 1067223768 /nfs/dbraw/zinc/22/37/68/1067223768.db2.gz KGNCCTJAGCFPJF-UHFFFAOYSA-N 0 0 456.731 4.990 20 0 JJADRN CCn1c(=O)c2cc(F)ccc2nc1SCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001458995189 1067223993 /nfs/dbraw/zinc/22/39/93/1067223993.db2.gz HHJIEPFCEHEUOE-UHFFFAOYSA-N 0 0 450.326 4.735 20 0 JJADRN O=C(NCc1cccc(C(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001458996912 1067224311 /nfs/dbraw/zinc/22/43/11/1067224311.db2.gz VAGBGGNUQPBFPI-UHFFFAOYSA-N 0 0 456.942 4.772 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cc(Br)cc(Br)c1 ZINC001452444260 1067224289 /nfs/dbraw/zinc/22/42/89/1067224289.db2.gz UYDZJMZQFQJYSC-KRWDZBQOSA-N 0 0 453.174 4.845 20 0 JJADRN O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001452445135 1067224365 /nfs/dbraw/zinc/22/43/65/1067224365.db2.gz SZCFUGDDJLUTRV-SFTDATJTSA-N 0 0 455.352 4.702 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001458998272 1067224848 /nfs/dbraw/zinc/22/48/48/1067224848.db2.gz YNJAARVXCMMBSF-NSHDSACASA-N 0 0 459.237 4.989 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001546038679 1067224776 /nfs/dbraw/zinc/22/47/76/1067224776.db2.gz VOHDKPHPHWVJPC-UHFFFAOYSA-N 0 0 470.614 4.720 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001546038782 1067224809 /nfs/dbraw/zinc/22/48/09/1067224809.db2.gz ZEZDBODRLMDOIV-UHFFFAOYSA-N 0 0 468.671 4.574 20 0 JJADRN CC(C)[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)C(=O)N1CCOCC1 ZINC001458998859 1067225404 /nfs/dbraw/zinc/22/54/04/1067225404.db2.gz RFBGGVABBCPQDQ-HXUWFJFHSA-N 0 0 456.999 4.563 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N[C@H](c3ccccc3)C3(CO)CCCCC3)CC2=O)cc1 ZINC001452455707 1067225391 /nfs/dbraw/zinc/22/53/91/1067225391.db2.gz CPLWMBSGYMZDSA-HYBUGGRVSA-N 0 0 452.620 4.562 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2)cn1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001452459708 1067225743 /nfs/dbraw/zinc/22/57/43/1067225743.db2.gz YQZNEIJSUABANY-UHFFFAOYSA-N 0 0 458.539 4.778 20 0 JJADRN COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1 ZINC001458999705 1067225763 /nfs/dbraw/zinc/22/57/63/1067225763.db2.gz XDRXJARXHKMGCC-UHFFFAOYSA-N 0 0 457.379 4.784 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)ccc1F ZINC001546039052 1067226330 /nfs/dbraw/zinc/22/63/30/1067226330.db2.gz KRSIKCLDKQVLLE-XUZZJYLKSA-N 0 0 452.551 4.788 20 0 JJADRN COc1cccc2nc(NC(=O)c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)no3)sc21 ZINC001452485516 1067226761 /nfs/dbraw/zinc/22/67/61/1067226761.db2.gz OEZCFCLFMYJTDH-UHFFFAOYSA-N 0 0 458.540 4.660 20 0 JJADRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C1 ZINC001452484529 1067226813 /nfs/dbraw/zinc/22/68/13/1067226813.db2.gz PGTPUCNZXRIXCZ-UZLBHIALSA-N 0 0 458.580 4.831 20 0 JJADRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)C1 ZINC001452481617 1067226880 /nfs/dbraw/zinc/22/68/80/1067226880.db2.gz LTALOTVPMBQRCD-APWZRJJASA-N 0 0 454.380 4.709 20 0 JJADRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)C1 ZINC001452481620 1067226904 /nfs/dbraw/zinc/22/69/04/1067226904.db2.gz LTALOTVPMBQRCD-VQIMIIECSA-N 0 0 454.380 4.709 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC=Cc4ccccc43)CC2)cc1 ZINC001459002859 1067226838 /nfs/dbraw/zinc/22/68/38/1067226838.db2.gz APWCABQXCFSULE-UHFFFAOYSA-N 0 0 452.620 4.835 20 0 JJADRN CC(C)C[C@H](CNC(=O)c1c2c(sc1-n1cccc1)CCCC2)CC(=O)O[C@@H]1CCOC1 ZINC001452488026 1067227296 /nfs/dbraw/zinc/22/72/96/1067227296.db2.gz BOLFRBJRNFWULA-RBUKOAKNSA-N 0 0 458.624 4.532 20 0 JJADRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001452488399 1067227323 /nfs/dbraw/zinc/22/73/23/1067227323.db2.gz VVAQZELVQNSESY-KXBFYZLASA-N 0 0 450.304 4.605 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)c2cc(OC)cc(OC)c2)cc1 ZINC001459005861 1067227774 /nfs/dbraw/zinc/22/77/74/1067227774.db2.gz GAJISPOCACEKAB-UHFFFAOYSA-N 0 0 457.530 4.901 20 0 JJADRN CC(C)C[C@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)CC(=O)O[C@@H]1CCOC1 ZINC001452491887 1067227767 /nfs/dbraw/zinc/22/77/67/1067227767.db2.gz HXYGBBPOQXKBTI-DLBZAZTESA-N 0 0 456.410 4.916 20 0 JJADRN CS(=O)(=O)Cc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459012180 1067228774 /nfs/dbraw/zinc/22/87/74/1067228774.db2.gz HPBUFBPZSZAUFD-MRXNPFEDSA-N 0 0 453.404 4.674 20 0 JJADRN CCCCOC(=O)C(C)(C)NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC001452513887 1067230442 /nfs/dbraw/zinc/23/04/42/1067230442.db2.gz OXYVCPZEGUZALR-UHFFFAOYSA-N 0 0 457.958 4.507 20 0 JJADRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452513267 1067230471 /nfs/dbraw/zinc/23/04/71/1067230471.db2.gz GAIXPRNLZRRIBW-LBPRGKRZSA-N 0 0 457.394 4.779 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c1 ZINC001452513528 1067230561 /nfs/dbraw/zinc/23/05/61/1067230561.db2.gz GUVYHMHFHVGEMX-UHFFFAOYSA-N 0 0 456.163 4.806 20 0 JJADRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001452520413 1067231110 /nfs/dbraw/zinc/23/11/10/1067231110.db2.gz UEWWSBAOCJLSHX-OSPHWJPCSA-N 0 0 452.913 4.943 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(F)cc(F)c2Br)c1 ZINC001459024760 1067231186 /nfs/dbraw/zinc/23/11/86/1067231186.db2.gz PDIBIUDUQGQODC-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2Br)c(Cl)cc1Cl ZINC001459024356 1067231270 /nfs/dbraw/zinc/23/12/70/1067231270.db2.gz MDWZPDYSXBAHHK-UHFFFAOYSA-N 0 0 459.095 4.690 20 0 JJADRN COC(=O)c1ccc(CNC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC001459026281 1067231792 /nfs/dbraw/zinc/23/17/92/1067231792.db2.gz QSPWDVLBLAMIAF-UHFFFAOYSA-N 0 0 454.311 4.941 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001546039994 1067232642 /nfs/dbraw/zinc/23/26/42/1067232642.db2.gz SAFVMVWDNLRLMT-NRFANRHFSA-N 0 0 478.584 4.741 20 0 JJADRN CC(C)Nc1cccc(F)c1NC(=O)CCC(=O)c1ccc(I)cc1 ZINC001452532395 1067232695 /nfs/dbraw/zinc/23/26/95/1067232695.db2.gz MTACWIZQWYLVRZ-UHFFFAOYSA-N 0 0 454.283 4.852 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N(C3CC3)C3CN(C(=O)OC(C)(C)C)C3)cc2)n1 ZINC001452538148 1067233066 /nfs/dbraw/zinc/23/30/66/1067233066.db2.gz CEVGIXPXMUPKRS-UHFFFAOYSA-N 0 0 459.637 4.968 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC001452556411 1067233648 /nfs/dbraw/zinc/23/36/48/1067233648.db2.gz YOOVKVWWIQPJFX-SFHVURJKSA-N 0 0 455.407 4.723 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)NCc2nc3ccc(Br)cc3o2)c1 ZINC001452555579 1067233671 /nfs/dbraw/zinc/23/36/71/1067233671.db2.gz RXDDIPCPKGYUKO-UHFFFAOYSA-N 0 0 458.356 4.783 20 0 JJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nccn2ccnc12 ZINC001459030951 1067233698 /nfs/dbraw/zinc/23/36/98/1067233698.db2.gz DSBGETNOSIFYLD-UHFFFAOYSA-N 0 0 458.952 4.629 20 0 JJADRN Cc1ccc(C)n1-c1c(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cnn1C ZINC001459030574 1067233750 /nfs/dbraw/zinc/23/37/50/1067233750.db2.gz PDODWOXYXBQVHC-UHFFFAOYSA-N 0 0 450.892 4.961 20 0 JJADRN COC1(OC)CC2(CN(C(=O)/C=C/c3ccc(C(=O)OC(C)(C)C)o3)[C@H]2c2ccccc2)C1 ZINC001452561853 1067234094 /nfs/dbraw/zinc/23/40/94/1067234094.db2.gz PQUKJIVMNXMDTB-VKXNWWILSA-N 0 0 453.535 4.601 20 0 JJADRN COC1(OC)CC2(CN(C(=O)/C=C\c3ccc(C(=O)OC(C)(C)C)o3)[C@@H]2c2ccccc2)C1 ZINC001452561845 1067234155 /nfs/dbraw/zinc/23/41/55/1067234155.db2.gz PQUKJIVMNXMDTB-FYEXEBAFSA-N 0 0 453.535 4.601 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)c1 ZINC001452561690 1067234181 /nfs/dbraw/zinc/23/41/81/1067234181.db2.gz OYIYEPAQTJJJRV-IBGZPJMESA-N 0 0 451.441 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C12CCC2 ZINC001452568318 1067234678 /nfs/dbraw/zinc/23/46/78/1067234678.db2.gz OMHYEKBGIYYMKF-HOTGVXAUSA-N 0 0 457.796 4.597 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cn1)c1ccccc1 ZINC001452568735 1067235220 /nfs/dbraw/zinc/23/52/20/1067235220.db2.gz PIIHZYLWTGWELW-WMQCIHAUSA-N 0 0 451.567 4.787 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)c3ccsc3)c2)cc1 ZINC001452571799 1067235313 /nfs/dbraw/zinc/23/53/13/1067235313.db2.gz YDBVWTIAGVNICX-UHFFFAOYSA-N 0 0 450.969 4.878 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)n[nH]2)s1 ZINC001452584761 1067235588 /nfs/dbraw/zinc/23/55/88/1067235588.db2.gz WMPLKAHXUXBUIJ-UHFFFAOYSA-N 0 0 452.561 4.808 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001452574456 1067235635 /nfs/dbraw/zinc/23/56/35/1067235635.db2.gz NGZZGDRCCDURCK-KRWDZBQOSA-N 0 0 458.465 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC001546105790 1067236811 /nfs/dbraw/zinc/23/68/11/1067236811.db2.gz WHMJZXVXJWLDHC-QHCPKHFHSA-N 0 0 452.599 4.784 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(OC)c1 ZINC001459040381 1067236901 /nfs/dbraw/zinc/23/69/01/1067236901.db2.gz HJKIZLREQUUBTP-UHFFFAOYSA-N 0 0 453.495 4.641 20 0 JJADRN Cc1cccc(C)c1NCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC001546105804 1067236949 /nfs/dbraw/zinc/23/69/49/1067236949.db2.gz WUJDZCRXSPTMKC-UHFFFAOYSA-N 0 0 459.955 4.514 20 0 JJADRN O=C(N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1[nH]ncc1I ZINC001546040885 1067237785 /nfs/dbraw/zinc/23/77/85/1067237785.db2.gz NVTCNRWJBIVVTQ-PKOBYXMFSA-N 0 0 457.315 4.606 20 0 JJADRN C/C=C/c1ccc(OCC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC001459042944 1067237913 /nfs/dbraw/zinc/23/79/13/1067237913.db2.gz POXZDGUHEKPWED-VOTSOKGWSA-N 0 0 452.551 4.674 20 0 JJADRN O=C(Nc1ccc(Br)c(CO)c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001452624943 1067238279 /nfs/dbraw/zinc/23/82/79/1067238279.db2.gz MUROUCMAOMMCJI-UHFFFAOYSA-N 0 0 455.337 4.503 20 0 JJADRN CC[C@@]1(C)CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCO1 ZINC001459045329 1067238386 /nfs/dbraw/zinc/23/83/86/1067238386.db2.gz OVDXSWAOWRJJKD-QHCPKHFHSA-N 0 0 456.999 4.707 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459046904 1067238846 /nfs/dbraw/zinc/23/88/46/1067238846.db2.gz BONIGQKQAZVHOI-VGOFRKELSA-N 0 0 458.524 4.853 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459046900 1067238903 /nfs/dbraw/zinc/23/89/03/1067238903.db2.gz BONIGQKQAZVHOI-JTSKRJEESA-N 0 0 458.524 4.853 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)n[nH]1 ZINC001452631450 1067238932 /nfs/dbraw/zinc/23/89/32/1067238932.db2.gz IICAMPGBBGXFJZ-UHFFFAOYSA-N 0 0 450.340 4.908 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)C1CCCCCC1 ZINC001452640502 1067239293 /nfs/dbraw/zinc/23/92/93/1067239293.db2.gz BFDMLJCUJHMARH-QFIPXVFZSA-N 0 0 458.628 4.501 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@@H]3CNC(=O)c4ccccc43)cc2Cl)n1 ZINC001459050943 1067239391 /nfs/dbraw/zinc/23/93/91/1067239391.db2.gz JFOBIZGBODBKAJ-OAHLLOKOSA-N 0 0 456.955 4.747 20 0 JJADRN Cc1ccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001459051668 1067239666 /nfs/dbraw/zinc/23/96/66/1067239666.db2.gz ZBWAFLLJOJZDAJ-UHFFFAOYSA-N 0 0 456.608 4.553 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001546041509 1067239850 /nfs/dbraw/zinc/23/98/50/1067239850.db2.gz DZYUOVQZPMLZJM-UUOWRZLLSA-N 0 0 495.089 4.549 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459054280 1067240015 /nfs/dbraw/zinc/24/00/15/1067240015.db2.gz URDKYCZWZORQIS-PXAZEXFGSA-N 0 0 454.445 4.813 20 0 JJADRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001452648867 1067240244 /nfs/dbraw/zinc/24/02/44/1067240244.db2.gz HEDDYVNIPXSMAR-UHFFFAOYSA-N 0 0 459.262 4.608 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC(CCc4ccc(F)cc4F)CC3)[nH]n2)c(OC)c1 ZINC001452649894 1067240341 /nfs/dbraw/zinc/24/03/41/1067240341.db2.gz ACOCMZMTHWFSQN-UHFFFAOYSA-N 0 0 455.505 4.857 20 0 JJADRN COc1cc(CN(C)C(=O)CS[C@H](C)C(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001459054729 1067240495 /nfs/dbraw/zinc/24/04/95/1067240495.db2.gz JIBNQHNBFKURNX-GOSISDBHSA-N 0 0 459.608 4.696 20 0 JJADRN Brc1nc(Br)n(Cc2nsc3ccccc32)c1Br ZINC001459056235 1067240572 /nfs/dbraw/zinc/24/05/72/1067240572.db2.gz MUUKSSKTPQNWKF-UHFFFAOYSA-N 0 0 451.969 4.829 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC(C)C)C1 ZINC001546106107 1067240892 /nfs/dbraw/zinc/24/08/92/1067240892.db2.gz JHSCKPZALMMWND-UHFFFAOYSA-N 0 0 488.485 4.596 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001546041795 1067240815 /nfs/dbraw/zinc/24/08/15/1067240815.db2.gz OCFFLDDALFMUDD-FQEVSTJZSA-N 0 0 458.672 4.561 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(Cc3nc(CC)cs3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001452657906 1067241388 /nfs/dbraw/zinc/24/13/88/1067241388.db2.gz PJEJUKQNAJTVMA-VQTJNVASSA-N 0 0 459.612 4.750 20 0 JJADRN Cc1cc(C(=O)CSCCC(F)(F)F)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC001459062602 1067241906 /nfs/dbraw/zinc/24/19/06/1067241906.db2.gz HTPXMKHKEIVCLU-UHFFFAOYSA-N 0 0 451.514 4.760 20 0 JJADRN C[C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC001459064038 1067242463 /nfs/dbraw/zinc/24/24/63/1067242463.db2.gz OCOAHVSYOQNCSC-LBPRGKRZSA-N 0 0 458.274 4.702 20 0 JJADRN Cc1c(C(=O)OCc2ccc(C)c(Br)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC001459067617 1067242829 /nfs/dbraw/zinc/24/28/29/1067242829.db2.gz LCXWHTDHCAMSBP-UHFFFAOYSA-N 0 0 452.255 4.605 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NC[C@](C)(C(=O)OC)c3ccccc3)s2)cc1 ZINC001459069008 1067243289 /nfs/dbraw/zinc/24/32/89/1067243289.db2.gz AXUXJKGBAWIQSM-VWLOTQADSA-N 0 0 452.576 4.632 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)c2cc(Cl)c(Br)cc2OC)c2ccccc21 ZINC001459070500 1067243708 /nfs/dbraw/zinc/24/37/08/1067243708.db2.gz NSGRTODLRSFSRH-ZDUSSCGKSA-N 0 0 452.732 4.808 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001459070285 1067243771 /nfs/dbraw/zinc/24/37/71/1067243771.db2.gz FFMPSNMCEIOSLZ-NSHDSACASA-N 0 0 455.729 4.894 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC001452688228 1067243887 /nfs/dbraw/zinc/24/38/87/1067243887.db2.gz DBZLLFMXIIRGKV-QHCPKHFHSA-N 0 0 458.514 4.883 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1)c1ccccc1 ZINC001459071010 1067244206 /nfs/dbraw/zinc/24/42/06/1067244206.db2.gz FGOSMVODLMYOPP-VWLOTQADSA-N 0 0 451.954 4.572 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCC(C)(C)C2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001459071174 1067244284 /nfs/dbraw/zinc/24/42/84/1067244284.db2.gz HMMJJRAVTNXWGD-HXUWFJFHSA-N 0 0 456.608 4.535 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc(C(F)(F)F)c1 ZINC001459071441 1067244361 /nfs/dbraw/zinc/24/43/61/1067244361.db2.gz JLDKDAISCOQKKL-UHFFFAOYSA-N 0 0 458.278 4.740 20 0 JJADRN CN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452692094 1067244955 /nfs/dbraw/zinc/24/49/55/1067244955.db2.gz CTIOGCBUTJISGD-NRFANRHFSA-N 0 0 450.514 4.661 20 0 JJADRN COc1ccc(-c2nc(S[C@@H](C)c3cn(-c4ccccc4)nn3)n[nH]2)cc1Br ZINC001459073883 1067245376 /nfs/dbraw/zinc/24/53/76/1067245376.db2.gz NZBUOXOVIKJVEA-LBPRGKRZSA-N 0 0 457.357 4.677 20 0 JJADRN CCCc1nc(C(=O)N(C)[C@@H](c2ncc[nH]2)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001452696954 1067245429 /nfs/dbraw/zinc/24/54/29/1067245429.db2.gz YBACOYNBIILHDX-HXUWFJFHSA-N 0 0 452.921 4.597 20 0 JJADRN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452700645 1067245451 /nfs/dbraw/zinc/24/54/51/1067245451.db2.gz ZHONUEYYUFZFRZ-SFHVURJKSA-N 0 0 457.918 4.592 20 0 JJADRN CC1(C)[C@@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC001452714118 1067246038 /nfs/dbraw/zinc/24/60/38/1067246038.db2.gz MXLFDRFAMUCPFD-SFTDATJTSA-N 0 0 450.476 4.741 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C ZINC001546043069 1067246106 /nfs/dbraw/zinc/24/61/06/1067246106.db2.gz HPJHJYYTEXTNMI-OYRHEFFESA-N 0 0 471.646 4.545 20 0 JJADRN O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001452719707 1067246556 /nfs/dbraw/zinc/24/65/56/1067246556.db2.gz CDGLBHUDWZOAAX-QGZVFWFLSA-N 0 0 452.388 4.928 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C)c1ccccc1 ZINC001459077024 1067246485 /nfs/dbraw/zinc/24/64/85/1067246485.db2.gz LIPUOZBZGJCFQV-MUUNZHRXSA-N 0 0 453.542 4.708 20 0 JJADRN Cc1c(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)c(=O)n(C2CCCCC2)n1C ZINC001452733526 1067246963 /nfs/dbraw/zinc/24/69/63/1067246963.db2.gz QRSTXDCRWOFZTM-UHFFFAOYSA-N 0 0 450.352 4.572 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(OCc3ccccc3)ccc2O)CC1 ZINC001452733959 1067247054 /nfs/dbraw/zinc/24/70/54/1067247054.db2.gz IPTGNSXJRPHXOT-UHFFFAOYSA-N 0 0 454.567 4.738 20 0 JJADRN Cc1c(NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c(=O)n(C2CCCCC2)n1C ZINC001452735004 1067247618 /nfs/dbraw/zinc/24/76/18/1067247618.db2.gz UBHKRFBVURDGPS-SFHVURJKSA-N 0 0 450.624 4.611 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)c2C(F)(F)F)c1 ZINC001459082048 1067247831 /nfs/dbraw/zinc/24/78/31/1067247831.db2.gz GYOOZLYKNFEZRM-UHFFFAOYSA-N 0 0 457.861 4.509 20 0 JJADRN CCn1c(SCC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 ZINC001459083189 1067247849 /nfs/dbraw/zinc/24/78/49/1067247849.db2.gz NVXBPKFKPJMDJT-UHFFFAOYSA-N 0 0 452.502 4.763 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001459085631 1067248255 /nfs/dbraw/zinc/24/82/55/1067248255.db2.gz VTIDTHDDRKYHMY-ZTBDEIDFSA-N 0 0 459.386 4.985 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1nnc(COc2ccc(Cl)c(Br)c2)s1 ZINC001459083551 1067248429 /nfs/dbraw/zinc/24/84/29/1067248429.db2.gz IIDZNOWPXHZWLE-UHFFFAOYSA-N 0 0 456.724 4.602 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001546043465 1067248487 /nfs/dbraw/zinc/24/84/87/1067248487.db2.gz SYDYSIZYXBZUFX-JOCHJYFZSA-N 0 0 456.631 4.668 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001452758452 1067248992 /nfs/dbraw/zinc/24/89/92/1067248992.db2.gz RYXZYAYPJDQEFS-YDIMBITNSA-N 0 0 455.574 4.531 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1C ZINC001546043625 1067249085 /nfs/dbraw/zinc/24/90/85/1067249085.db2.gz YFOIBMNJLOCGRA-IFMALSPDSA-N 0 0 458.647 4.571 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC001452765947 1067249558 /nfs/dbraw/zinc/24/95/58/1067249558.db2.gz GJVQEXKYSDXGOI-OAQYLSRUSA-N 0 0 451.567 4.550 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cnn1-c1cccc(Cl)c1 ZINC001459092355 1067249692 /nfs/dbraw/zinc/24/96/92/1067249692.db2.gz YLIVMFQVIONRRW-UHFFFAOYSA-N 0 0 452.363 4.958 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1Br ZINC001459096533 1067249776 /nfs/dbraw/zinc/24/97/76/1067249776.db2.gz IMCLYLGWVYHKRG-MRXNPFEDSA-N 0 0 455.274 4.620 20 0 JJADRN O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)c1cccc(Br)c1 ZINC001459100285 1067250120 /nfs/dbraw/zinc/25/01/20/1067250120.db2.gz OUSOCXPBHKEQFR-UHFFFAOYSA-N 0 0 457.143 4.841 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1ncc(C(F)(F)F)s1 ZINC001459100959 1067250183 /nfs/dbraw/zinc/25/01/83/1067250183.db2.gz CKVLTWPYYOHPTE-UHFFFAOYSA-N 0 0 453.265 4.607 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOc3c(C)cccc32)cc1 ZINC001459101033 1067250611 /nfs/dbraw/zinc/25/06/11/1067250611.db2.gz FAGZOLWEOKDQOB-HSZRJFAPSA-N 0 0 451.544 4.891 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCSC2)C1 ZINC001546106293 1067250627 /nfs/dbraw/zinc/25/06/27/1067250627.db2.gz QFINWHZMKKGXDA-RUZDIDTESA-N 0 0 474.671 4.625 20 0 JJADRN CCOC(=O)[C@H](COC)N(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC001459101187 1067250651 /nfs/dbraw/zinc/25/06/51/1067250651.db2.gz UZXMRGPHMWRJRK-FQEVSTJZSA-N 0 0 451.441 4.680 20 0 JJADRN Cc1cccc2c1OCC[C@H]2OC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001459102656 1067251092 /nfs/dbraw/zinc/25/10/92/1067251092.db2.gz NQXTUBXWKRJIQI-JOCHJYFZSA-N 0 0 457.592 4.713 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@H]3C)n2)c1 ZINC001452777944 1067251312 /nfs/dbraw/zinc/25/13/12/1067251312.db2.gz SGODDXOQDSVUSN-SLFFLAALSA-N 0 0 450.608 4.647 20 0 JJADRN O=C(Cn1cnc2cc(Cl)cc(Cl)c2c1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001459105738 1067251604 /nfs/dbraw/zinc/25/16/04/1067251604.db2.gz RSNNFYSRYIMTNL-HXUWFJFHSA-N 0 0 452.341 4.804 20 0 JJADRN Fc1cc(COc2c(I)cccc2C(F)(F)F)c2c(c1)COCO2 ZINC001459105245 1067251675 /nfs/dbraw/zinc/25/16/75/1067251675.db2.gz PUBVNVYNJJZEFL-UHFFFAOYSA-N 0 0 454.157 4.895 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1C(F)F ZINC001452791143 1067252015 /nfs/dbraw/zinc/25/20/15/1067252015.db2.gz PGWWSYLXRBGHGF-GOSISDBHSA-N 0 0 451.823 4.637 20 0 JJADRN CN(C(=O)Cn1cnc2cc(F)c(Cl)cc2c1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459110918 1067252552 /nfs/dbraw/zinc/25/25/52/1067252552.db2.gz RWDAFNKJIYCNGY-HSZRJFAPSA-N 0 0 453.876 4.576 20 0 JJADRN Cc1ccc(C)c(-c2cc(NC(=O)CSc3cccc(C(N)=O)c3)n(-c3ccccc3)n2)c1 ZINC001459113115 1067253053 /nfs/dbraw/zinc/25/30/53/1067253053.db2.gz LPCNZWAOUGDWSY-UHFFFAOYSA-N 0 0 456.571 4.986 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC[C@@]2(C)Cc2cccc(Cl)c2)c(OC)c1OC ZINC001452799410 1067253330 /nfs/dbraw/zinc/25/33/30/1067253330.db2.gz JDWXEPAUKVOEBT-VWLOTQADSA-N 0 0 459.970 4.953 20 0 JJADRN C[C@@H](C(=O)NCc1cccc(Oc2ccccc2F)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001452805938 1067253992 /nfs/dbraw/zinc/25/39/92/1067253992.db2.gz XMUQLNPAVYXXIK-IBGZPJMESA-N 0 0 451.517 4.584 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2c(Br)cccc12 ZINC001459117967 1067254610 /nfs/dbraw/zinc/25/46/10/1067254610.db2.gz GQPQURBCDDGPES-NRFANRHFSA-N 0 0 451.320 4.598 20 0 JJADRN COC(=O)[C@](C)(NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(Cl)c(Cl)c1 ZINC001459120015 1067255143 /nfs/dbraw/zinc/25/51/43/1067255143.db2.gz HLRGSNPWPWKBTO-LRTDBIEQSA-N 0 0 455.769 4.678 20 0 JJADRN CN(Cc1ccccc1CNC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001452815622 1067255161 /nfs/dbraw/zinc/25/51/61/1067255161.db2.gz MBOQYJSJPCEDRL-UHFFFAOYSA-N 0 0 454.958 4.823 20 0 JJADRN CC(C)(C)OC(=O)NOCC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 ZINC001452823645 1067255614 /nfs/dbraw/zinc/25/56/14/1067255614.db2.gz WLXUDEWKOQLNFA-UHFFFAOYSA-N 0 0 455.280 4.775 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC001452832196 1067256133 /nfs/dbraw/zinc/25/61/33/1067256133.db2.gz VQDVLFIPSHEATP-XMMPIXPASA-N 0 0 451.586 4.591 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001452826618 1067256164 /nfs/dbraw/zinc/25/61/64/1067256164.db2.gz CXWRQZMKRYSBEU-XXBNENTESA-N 0 0 452.599 4.849 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)c1 ZINC001452828576 1067256218 /nfs/dbraw/zinc/25/62/18/1067256218.db2.gz XCEMYEGOOYUHMW-UHFFFAOYSA-N 0 0 450.366 4.559 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@H]1CCCOC1 ZINC001452834938 1067256515 /nfs/dbraw/zinc/25/65/15/1067256515.db2.gz KPVQWJSNSKOBRO-PMACEKPBSA-N 0 0 450.579 4.579 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@@H]1CCCOC1 ZINC001452834949 1067256528 /nfs/dbraw/zinc/25/65/28/1067256528.db2.gz KPVQWJSNSKOBRO-VQTJNVASSA-N 0 0 450.579 4.579 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccccc3CN(C)C(=O)OC(C)(C)C)cc2C1 ZINC001452833865 1067256605 /nfs/dbraw/zinc/25/66/05/1067256605.db2.gz ZTAIEFRMGJBPAK-QGZVFWFLSA-N 0 0 453.583 4.599 20 0 JJADRN O=C(Cc1ccccc1O[C@@H]1CCOC1)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459126946 1067257086 /nfs/dbraw/zinc/25/70/86/1067257086.db2.gz VBFMEUIZGZFZLA-FGZHOGPDSA-N 0 0 458.396 4.687 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC001459128918 1067257435 /nfs/dbraw/zinc/25/74/35/1067257435.db2.gz VICAEMFXHCOQIA-OAQYLSRUSA-N 0 0 454.636 4.800 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC001452857743 1067257674 /nfs/dbraw/zinc/25/76/74/1067257674.db2.gz UEAZMYZLPRDNGP-UHFFFAOYSA-N 0 0 458.584 4.899 20 0 JJADRN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001452859972 1067258106 /nfs/dbraw/zinc/25/81/06/1067258106.db2.gz ZMUXLMSOBICUKD-QHCPKHFHSA-N 0 0 450.510 4.662 20 0 JJADRN CCOC(=O)c1c(C[C@H](C)CC)c(C)sc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC001459136149 1067258541 /nfs/dbraw/zinc/25/85/41/1067258541.db2.gz GTHFRCOXJAEGTA-CQSZACIVSA-N 0 0 451.610 4.543 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@H](c3ccccc3)[C@H]2C)O1 ZINC001546045139 1067258635 /nfs/dbraw/zinc/25/86/35/1067258635.db2.gz LJZSESDOGNDNTQ-YUPYUMOFSA-N 0 0 456.631 4.732 20 0 JJADRN CCO[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452878591 1067259201 /nfs/dbraw/zinc/25/92/01/1067259201.db2.gz VGUSHXDARIAWTB-WZONZLPQSA-N 0 0 474.548 4.942 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)O1 ZINC001546045196 1067259225 /nfs/dbraw/zinc/25/92/25/1067259225.db2.gz LVTXDEJAESEKLO-JDRJUVJTSA-N 0 0 462.598 4.513 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)c1ccc(OC)c(F)c1 ZINC001459140939 1067259202 /nfs/dbraw/zinc/25/92/02/1067259202.db2.gz OILRWDWEHDMBIY-HXUWFJFHSA-N 0 0 458.313 4.721 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001459142829 1067259523 /nfs/dbraw/zinc/25/95/23/1067259523.db2.gz MKJUFUHAARDURH-XMMPIXPASA-N 0 0 453.922 4.844 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(OC)c(Cl)c1 ZINC001459142338 1067259604 /nfs/dbraw/zinc/25/96/04/1067259604.db2.gz TVCQOVYWSRYRLK-OAHLLOKOSA-N 0 0 452.212 4.545 20 0 JJADRN O=C(N[C@H](C(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccccc1)c1ccccc1 ZINC001452892855 1067260147 /nfs/dbraw/zinc/26/01/47/1067260147.db2.gz HEUHAUFJZBRQIW-VWLOTQADSA-N 0 0 455.489 4.801 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1 ZINC001459145924 1067260480 /nfs/dbraw/zinc/26/04/80/1067260480.db2.gz DXELPYHAWCNVGJ-KRWDZBQOSA-N 0 0 451.748 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(NCc3cncs3)c2)C12CCCC2 ZINC001452898618 1067261073 /nfs/dbraw/zinc/26/10/73/1067261073.db2.gz CWJWDFHHZUPHAI-FQEVSTJZSA-N 0 0 456.612 4.807 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)C1 ZINC001452901825 1067261635 /nfs/dbraw/zinc/26/16/35/1067261635.db2.gz GYQDHBLPSLPVHW-KSMMKXTCSA-N 0 0 458.933 4.543 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001452900191 1067261683 /nfs/dbraw/zinc/26/16/83/1067261683.db2.gz GBEYDRNNJGPGQN-MOPGFXCFSA-N 0 0 474.667 4.810 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)c2ccsc2)C1 ZINC001546106249 1067262009 /nfs/dbraw/zinc/26/20/09/1067262009.db2.gz OPKHXLDJZOJJRS-XMMPIXPASA-N 0 0 470.639 4.948 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCc3cc(Cl)cs3)C2)C1 ZINC001452902819 1067262051 /nfs/dbraw/zinc/26/20/51/1067262051.db2.gz ITZZSJHWOBLKEN-WDYCEAGBSA-N 0 0 457.036 4.645 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)C1 ZINC001452901829 1067262138 /nfs/dbraw/zinc/26/21/38/1067262138.db2.gz GYQDHBLPSLPVHW-LPMFXHHGSA-N 0 0 458.933 4.543 20 0 JJADRN Cc1cc(C)cc(C2(C(=O)N3CCC[C@H]([C@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)CC2)c1 ZINC001452905943 1067262502 /nfs/dbraw/zinc/26/25/02/1067262502.db2.gz PIGJVEKFINYJEY-MDNUFGMLSA-N 0 0 456.627 4.646 20 0 JJADRN Cc1cc(C)cc(C2(C(=O)N3CCC[C@H]([C@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)CC2)c1 ZINC001452905939 1067262642 /nfs/dbraw/zinc/26/26/42/1067262642.db2.gz PIGJVEKFINYJEY-ACIOBRDBSA-N 0 0 456.627 4.646 20 0 JJADRN CSCc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001459156866 1067262984 /nfs/dbraw/zinc/26/29/84/1067262984.db2.gz PJSGPYKNVDYEST-UHFFFAOYSA-N 0 0 450.526 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)C1 ZINC001452907516 1067262992 /nfs/dbraw/zinc/26/29/92/1067262992.db2.gz UMLBNECGVWJDMA-NRSPTQNISA-N 0 0 451.007 4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)o3)C2)C1 ZINC001452907653 1067263003 /nfs/dbraw/zinc/26/30/03/1067263003.db2.gz VLNUTPVPNADKAM-TXTKFYIRSA-N 0 0 454.567 4.871 20 0 JJADRN CCOC(=O)c1snc2c1ncn(Cc1ccc(Oc3ccc(Cl)cc3C)cc1)c2=O ZINC001459155738 1067263172 /nfs/dbraw/zinc/26/31/72/1067263172.db2.gz ZSBMVMOAXDFDNK-UHFFFAOYSA-N 0 0 455.923 4.832 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3F)C2)C1 ZINC001452908680 1067263568 /nfs/dbraw/zinc/26/35/68/1067263568.db2.gz ZCTQIZNZCQVNTE-CKEIUWERSA-N 0 0 458.933 4.543 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCC(C2(O)CC2)CC1 ZINC001452919769 1067264117 /nfs/dbraw/zinc/26/41/17/1067264117.db2.gz HWXQGOIBIDFYKX-UHFFFAOYSA-N 0 0 455.546 4.711 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)c2)c1 ZINC001452913440 1067264239 /nfs/dbraw/zinc/26/42/39/1067264239.db2.gz LROWRTJQSXCDBG-RUZDIDTESA-N 0 0 452.551 4.739 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)Cc1ccccc1 ZINC001459163731 1067264575 /nfs/dbraw/zinc/26/45/75/1067264575.db2.gz SIYDDBQRPSTLTC-ZFGGDYGUSA-N 0 0 456.652 4.598 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2C(=O)OC(C)(C)C)C1 ZINC001459163559 1067264669 /nfs/dbraw/zinc/26/46/69/1067264669.db2.gz MYEDBECEPNRGMY-KDOFPFPSSA-N 0 0 455.576 4.939 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)CC(C)C ZINC001452925547 1067265133 /nfs/dbraw/zinc/26/51/33/1067265133.db2.gz RTHWWXVXNZDKIS-PWRODBHTSA-N 0 0 454.652 4.972 20 0 JJADRN C[C@H]1O[C@@H](C)Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cnn(-c4ccccc4)n3)sc21 ZINC001459166932 1067265112 /nfs/dbraw/zinc/26/51/12/1067265112.db2.gz SWNAUAIFOSUERJ-UONOGXRCSA-N 0 0 454.552 4.559 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(Br)cnc2Cl)cc1 ZINC001459165429 1067265120 /nfs/dbraw/zinc/26/51/20/1067265120.db2.gz UYMSDKGEYMYKQP-UHFFFAOYSA-N 0 0 450.720 4.863 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)Cn1c(C)c(Br)c2ccccc21)CC(C)C ZINC001452923398 1067265208 /nfs/dbraw/zinc/26/52/08/1067265208.db2.gz MDRZAAYPYQUKIK-KRWDZBQOSA-N 0 0 451.405 4.834 20 0 JJADRN CC1(C)CC(=O)c2cnc(SCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)nc2C1 ZINC001459171948 1067265457 /nfs/dbraw/zinc/26/54/57/1067265457.db2.gz MVVFNIUNHZIGFO-OAQYLSRUSA-N 0 0 455.580 4.830 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC(C)(C)OC[C@@H]3CC)c2)cc1 ZINC001452931740 1067265480 /nfs/dbraw/zinc/26/54/80/1067265480.db2.gz JEAURUCDLRAZNC-QFIPXVFZSA-N 0 0 458.624 4.860 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)O1 ZINC001546046241 1067265527 /nfs/dbraw/zinc/26/55/27/1067265527.db2.gz YIMPYPJCNKIOPK-NYHFZMIOSA-N 0 0 475.018 4.624 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@H](CC)OC[C@H]3CC)c2)cc1 ZINC001452939121 1067265577 /nfs/dbraw/zinc/26/55/77/1067265577.db2.gz XRYRNFSXHVMWMJ-PKTZIBPZSA-N 0 0 458.624 4.860 20 0 JJADRN C[C@H](CO)C1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001452940642 1067265997 /nfs/dbraw/zinc/26/59/97/1067265997.db2.gz ILYRJCAUYJUOBF-AUUYWEPGSA-N 0 0 459.414 4.768 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2c(O)cnc3c(Br)cccc32)cc1 ZINC001452946414 1067266062 /nfs/dbraw/zinc/26/60/62/1067266062.db2.gz YCASTUIDPNKTCC-INIZCTEOSA-N 0 0 455.352 4.949 20 0 JJADRN COc1cc(CNC(=O)CSc2nc3cnccc3s2)ccc1OCc1ccccc1 ZINC001459174596 1067266058 /nfs/dbraw/zinc/26/60/58/1067266058.db2.gz WFIYTVCWZIZYJG-UHFFFAOYSA-N 0 0 451.573 4.687 20 0 JJADRN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2ncc(C)cc2C)nc1C ZINC001459172896 1067266084 /nfs/dbraw/zinc/26/60/84/1067266084.db2.gz LAXCOZGVNAKGBX-UHFFFAOYSA-N 0 0 455.605 4.966 20 0 JJADRN COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001459179199 1067266481 /nfs/dbraw/zinc/26/64/81/1067266481.db2.gz DXUHFRFKHPAVTD-CYBMUJFWSA-N 0 0 451.386 4.774 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001459180355 1067266961 /nfs/dbraw/zinc/26/69/61/1067266961.db2.gz ZFVIMMGQSZQWDZ-MGPUTAFESA-N 0 0 451.311 4.700 20 0 JJADRN COCc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1C(F)(F)F ZINC001452951844 1067267115 /nfs/dbraw/zinc/26/71/15/1067267115.db2.gz ARNDOVGHYRIMIJ-AWEZNQCLSA-N 0 0 453.436 4.874 20 0 JJADRN CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@H](CO)c1cccc(Cl)c1Cl ZINC001452956232 1067267167 /nfs/dbraw/zinc/26/71/67/1067267167.db2.gz INWLTLNRTTUHNT-MRXNPFEDSA-N 0 0 456.167 4.972 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccccn3)C(C)(C)C)C2)c2ccccc12 ZINC001459185014 1067267859 /nfs/dbraw/zinc/26/78/59/1067267859.db2.gz ACXNCWCHRMAGIX-HXUWFJFHSA-N 0 0 459.590 4.923 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)cn21 ZINC001459185298 1067267915 /nfs/dbraw/zinc/26/79/15/1067267915.db2.gz CXOPEZNNVUEDNQ-KKSFZXQISA-N 0 0 457.937 4.582 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)cn21 ZINC001459185283 1067267922 /nfs/dbraw/zinc/26/79/22/1067267922.db2.gz CXOPEZNNVUEDNQ-IERDGZPVSA-N 0 0 457.937 4.582 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001459186920 1067268107 /nfs/dbraw/zinc/26/81/07/1067268107.db2.gz IQPBMTVMXFVEQY-HOTGVXAUSA-N 0 0 454.958 4.717 20 0 JJADRN CCc1nc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)nn1-c1ccccc1Cl ZINC001452962794 1067268161 /nfs/dbraw/zinc/26/81/61/1067268161.db2.gz MPQDKFSJWKXAQE-UHFFFAOYSA-N 0 0 451.741 4.693 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CS1(=O)=O ZINC001452965660 1067268510 /nfs/dbraw/zinc/26/85/10/1067268510.db2.gz QTZCNCQRFWNZRO-AZOIQLNYSA-N 0 0 458.432 4.909 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001452964433 1067268530 /nfs/dbraw/zinc/26/85/30/1067268530.db2.gz WVBRSINXLWJFTE-GJZGRUSLSA-N 0 0 458.525 4.831 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC001459187023 1067268543 /nfs/dbraw/zinc/26/85/43/1067268543.db2.gz NARXOMHADNXOMX-UHFFFAOYSA-N 0 0 455.927 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001452966244 1067268590 /nfs/dbraw/zinc/26/85/90/1067268590.db2.gz OQQGDVOYLVZOQK-QGZVFWFLSA-N 0 0 454.958 4.632 20 0 JJADRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC001459190286 1067269079 /nfs/dbraw/zinc/26/90/79/1067269079.db2.gz YXKBDFAYTZTEAV-HXUWFJFHSA-N 0 0 454.448 4.678 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(OC(F)F)c4cccnc34)n2)cc1 ZINC001459191088 1067269090 /nfs/dbraw/zinc/26/90/90/1067269090.db2.gz SUCJODPEZKBCHE-UHFFFAOYSA-N 0 0 454.433 4.856 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459188834 1067269145 /nfs/dbraw/zinc/26/91/45/1067269145.db2.gz OQLWUDOHOVOSAY-KDOFPFPSSA-N 0 0 464.266 4.710 20 0 JJADRN COc1c(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)oc2ccccc21 ZINC001459193623 1067269419 /nfs/dbraw/zinc/26/94/19/1067269419.db2.gz ZRKWOSPJKWFUKA-RDPWEWGOSA-N 0 0 452.938 4.806 20 0 JJADRN CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC001452977546 1067270006 /nfs/dbraw/zinc/27/00/06/1067270006.db2.gz VOSQEFIBOAQQFU-LVXARBLLSA-N 0 0 455.620 4.533 20 0 JJADRN CC(C)c1ccc2c(c1)CN(C(=O)c1cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c1)CC2 ZINC001452979963 1067270041 /nfs/dbraw/zinc/27/00/41/1067270041.db2.gz XIRDQZQVEUKQOG-HSZRJFAPSA-N 0 0 452.599 4.777 20 0 JJADRN O=C(c1cnc(-c2ccccc2Br)s1)N1CCSC[C@H]1c1nccs1 ZINC001459201057 1067270499 /nfs/dbraw/zinc/27/04/99/1067270499.db2.gz FBDCOBZURRCRHA-ZDUSSCGKSA-N 0 0 452.424 4.959 20 0 JJADRN COC(=O)c1cc(Cl)c(OCC(=O)N(C2CC2)C2CCC(C)CC2)c(Br)c1 ZINC001459209383 1067271506 /nfs/dbraw/zinc/27/15/06/1067271506.db2.gz KAMMTJSARCLBPX-UHFFFAOYSA-N 0 0 458.780 4.838 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993946 1067271539 /nfs/dbraw/zinc/27/15/39/1067271539.db2.gz KOEQXXVATPNHGZ-UHFFFAOYSA-N 0 0 452.691 4.952 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1(C)C ZINC001452993709 1067271725 /nfs/dbraw/zinc/27/17/25/1067271725.db2.gz JJDQVXIAJQKWHQ-YJBOKZPZSA-N 0 0 456.414 4.581 20 0 JJADRN O=C(COc1cccc(OC(F)(F)F)c1Br)Nc1ccccc1OC(F)F ZINC001459212630 1067272338 /nfs/dbraw/zinc/27/23/38/1067272338.db2.gz WJONKGHWLBJAJA-UHFFFAOYSA-N 0 0 456.161 4.967 20 0 JJADRN COC(=O)c1cc(Br)ccc1SCC(=O)N(C)[C@H](C)c1ccccc1OC ZINC001459212380 1067272346 /nfs/dbraw/zinc/27/23/46/1067272346.db2.gz PVUXVICLHABMFW-CYBMUJFWSA-N 0 0 452.370 4.556 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)c2)cn1 ZINC001459225234 1067273191 /nfs/dbraw/zinc/27/31/91/1067273191.db2.gz KOQNJARHIRZSBA-FQEVSTJZSA-N 0 0 455.480 4.997 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1 ZINC001452998645 1067273241 /nfs/dbraw/zinc/27/32/41/1067273241.db2.gz UUQMRVLDZNOATP-GOSISDBHSA-N 0 0 451.375 4.908 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(-c3cccs3)cc2)cc1 ZINC001452998195 1067273344 /nfs/dbraw/zinc/27/33/44/1067273344.db2.gz NGWHOIPRSNXQSD-QFIPXVFZSA-N 0 0 456.633 4.733 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)C2CC(OC)C2)cc1OC ZINC001459226277 1067273261 /nfs/dbraw/zinc/27/32/61/1067273261.db2.gz YOBVAQIWOZBTDN-UHFFFAOYSA-N 0 0 455.942 4.633 20 0 JJADRN O=C(c1c(Br)cccc1Br)N1CCN(C2CC2)c2ccc(F)cc21 ZINC001459224051 1067273280 /nfs/dbraw/zinc/27/32/80/1067273280.db2.gz JYULJGOAIDKYJH-UHFFFAOYSA-N 0 0 454.137 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](Cn3nc(-c4ccc(Cl)cc4)nc3Cl)C2)C1 ZINC001459228532 1067273805 /nfs/dbraw/zinc/27/38/05/1067273805.db2.gz MLFMAGKSMRMASD-KKSFZXQISA-N 0 0 453.370 4.668 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1F ZINC001453000009 1067273853 /nfs/dbraw/zinc/27/38/53/1067273853.db2.gz VFMVLHMWSFLICZ-QFIPXVFZSA-N 0 0 454.523 4.612 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[C@H]1CCO ZINC001453000264 1067273970 /nfs/dbraw/zinc/27/39/70/1067273970.db2.gz VEPQWJNADXHHLI-UZLBHIALSA-N 0 0 459.612 4.704 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCN(C2CC2)c2ccc(F)cc21 ZINC001459229298 1067274422 /nfs/dbraw/zinc/27/44/22/1067274422.db2.gz RLXBQGRJVOCDSE-UHFFFAOYSA-N 0 0 454.137 4.980 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 ZINC001459231667 1067274643 /nfs/dbraw/zinc/27/46/43/1067274643.db2.gz QKLZHQNVABZRFM-WMZOPIPTSA-N 0 0 454.958 4.666 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001459232079 1067274648 /nfs/dbraw/zinc/27/46/48/1067274648.db2.gz XLFCQAKDBILHQY-CQSZACIVSA-N 0 0 452.546 4.832 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC001459232015 1067274750 /nfs/dbraw/zinc/27/47/50/1067274750.db2.gz FHRHJDMHTPJOSI-SFHVURJKSA-N 0 0 455.368 4.945 20 0 JJADRN O=C(c1n[nH]c2ccc(Br)cc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001453028027 1067274913 /nfs/dbraw/zinc/27/49/13/1067274913.db2.gz UHSPRDCZCHCCJZ-UHFFFAOYSA-N 0 0 454.155 4.595 20 0 JJADRN O=C(NOc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001453034539 1067275012 /nfs/dbraw/zinc/27/50/12/1067275012.db2.gz VIXDLCCUCQVPAQ-UHFFFAOYSA-N 0 0 455.294 4.657 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(Br)co1 ZINC001459233181 1067275207 /nfs/dbraw/zinc/27/52/07/1067275207.db2.gz ZTUZAPLIUKPHQZ-MRXNPFEDSA-N 0 0 450.130 4.913 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1 ZINC001459232950 1067275231 /nfs/dbraw/zinc/27/52/31/1067275231.db2.gz YQMLOPBHUXUBQM-CVDCTZTESA-N 0 0 450.380 4.771 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC2CC2)nc1 ZINC001459232676 1067275240 /nfs/dbraw/zinc/27/52/40/1067275240.db2.gz XWMDXFCPQSVWPJ-OAQYLSRUSA-N 0 0 452.352 4.742 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@]3(C)CC[C@H](C)C3(C)C)c2)cc1 ZINC001453051553 1067275599 /nfs/dbraw/zinc/27/55/99/1067275599.db2.gz QLCACAGTLNRQNW-BVZFJXPGSA-N 0 0 458.624 4.997 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1sc(-c2ccc(OC)cc2)nc1C ZINC001459238275 1067275739 /nfs/dbraw/zinc/27/57/39/1067275739.db2.gz LYUKOJLCGXNGHO-IBGZPJMESA-N 0 0 458.967 4.685 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001459236515 1067275751 /nfs/dbraw/zinc/27/57/51/1067275751.db2.gz KBPDMAJOMYDOFQ-IBGZPJMESA-N 0 0 451.991 4.613 20 0 JJADRN Cc1sc2nc(CCC(=O)N[C@@]3(Cc4ccc(Cl)cc4)CCCOC3)[nH]c(=O)c2c1C ZINC001453075714 1067277205 /nfs/dbraw/zinc/27/72/05/1067277205.db2.gz JMYBLFCWCQDEHA-HSZRJFAPSA-N 0 0 459.999 4.508 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC001453073260 1067277236 /nfs/dbraw/zinc/27/72/36/1067277236.db2.gz GNSKEOHTVSMGGH-UHFFFAOYSA-N 0 0 453.461 4.730 20 0 JJADRN COc1cc(OC)c(NC(=O)CCCc2ccc3c(c2)OCCCO3)cc1Br ZINC001459247893 1067277095 /nfs/dbraw/zinc/27/70/95/1067277095.db2.gz WGXXAYOHYWRALZ-UHFFFAOYSA-N 0 0 450.329 4.589 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCCCCc1ccc(F)cc1 ZINC001459246325 1067277191 /nfs/dbraw/zinc/27/71/91/1067277191.db2.gz QZKMNYIRHALRAM-UHFFFAOYSA-N 0 0 450.352 4.629 20 0 JJADRN Cc1cc(C(=O)CCC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(C)s1 ZINC001453077287 1067277785 /nfs/dbraw/zinc/27/77/85/1067277785.db2.gz JEABICJCBNPWDB-AEFFLSMTSA-N 0 0 458.546 4.510 20 0 JJADRN Cn1c2ccccc2nc1C(C)(C)NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001459254259 1067278111 /nfs/dbraw/zinc/27/81/11/1067278111.db2.gz IGFRECLYOLTLTL-UHFFFAOYSA-N 0 0 452.352 4.919 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@H](C)[C@@H](OC)C2)O1 ZINC001546047642 1067278168 /nfs/dbraw/zinc/27/81/68/1067278168.db2.gz BIWQSIKORJLTAF-XLJIZYSNSA-N 0 0 477.447 4.917 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@@H](C)[C@@H](OC)C2)O1 ZINC001546047641 1067278194 /nfs/dbraw/zinc/27/81/94/1067278194.db2.gz BIWQSIKORJLTAF-TVLQYADYSA-N 0 0 477.447 4.917 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Br)cc4nc(C)oc43)CC2=O)cc1 ZINC001459259517 1067278867 /nfs/dbraw/zinc/27/88/67/1067278867.db2.gz DTPIDQVSJLPLKE-HNNXBMFYSA-N 0 0 456.340 4.843 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)n1 ZINC001459263166 1067279356 /nfs/dbraw/zinc/27/93/56/1067279356.db2.gz MJWDFOFHTWRWPY-UHFFFAOYSA-N 0 0 459.369 4.655 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)n1cnc2ccccc21 ZINC001453110890 1067279352 /nfs/dbraw/zinc/27/93/52/1067279352.db2.gz IQQLYGJLQXYRNL-NQSCKRDGSA-N 0 0 466.557 4.646 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Br)cc3nc(C)oc32)c1 ZINC001459266118 1067279763 /nfs/dbraw/zinc/27/97/63/1067279763.db2.gz PRPXTKSDGCMIKM-UHFFFAOYSA-N 0 0 457.733 4.598 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@]1(C)Cc1ccccc1)C2=O ZINC001459270944 1067280468 /nfs/dbraw/zinc/28/04/68/1067280468.db2.gz ZEFVDTMORISIRL-NGRVGSHDSA-N 0 0 453.627 4.527 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc3cc(C)cn3c2)cc1 ZINC001453120291 1067280808 /nfs/dbraw/zinc/28/08/08/1067280808.db2.gz MGDYYEMSRFGQCE-ZEQRLZLVSA-N 0 0 463.578 4.779 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)C(C)(C)C)c(OC)c1 ZINC001459272421 1067281057 /nfs/dbraw/zinc/28/10/57/1067281057.db2.gz SXFTYDZLAYUJNL-UHFFFAOYSA-N 0 0 452.473 4.574 20 0 JJADRN CC1(C)[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C[C@@H]1OCc1ccccc1 ZINC001459279091 1067281948 /nfs/dbraw/zinc/28/19/48/1067281948.db2.gz CIYIEIZGHPKJDX-PKTZIBPZSA-N 0 0 455.620 4.663 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccns2)c1 ZINC001453127881 1067282067 /nfs/dbraw/zinc/28/20/67/1067282067.db2.gz BXBSTJNFOQWVNN-UHFFFAOYSA-N 0 0 457.621 4.822 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccn1 ZINC001453133165 1067282499 /nfs/dbraw/zinc/28/24/99/1067282499.db2.gz KSJRBHUNDWOMCN-UHFFFAOYSA-N 0 0 459.568 4.644 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@@H](C)O1 ZINC001459283101 1067282525 /nfs/dbraw/zinc/28/25/25/1067282525.db2.gz WNOXAAIVVSDJFX-HZPDHXFCSA-N 0 0 456.999 4.644 20 0 JJADRN O=C(CSCc1ccncc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC001459282391 1067282580 /nfs/dbraw/zinc/28/25/80/1067282580.db2.gz LUOKHMITTLPSSG-UHFFFAOYSA-N 0 0 451.617 4.824 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)O1 ZINC001546047982 1067283733 /nfs/dbraw/zinc/28/37/33/1067283733.db2.gz GUAOIIFOBATENH-JPYJTQIMSA-N 0 0 477.447 4.918 20 0 JJADRN Cc1c(C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)nnn1-c1ccccc1Cl ZINC001453148434 1067283819 /nfs/dbraw/zinc/28/38/19/1067283819.db2.gz POHSWUAKXGWCAW-UHFFFAOYSA-N 0 0 453.930 4.732 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)nnn1-c1cccc(Cl)c1 ZINC001459292428 1067284076 /nfs/dbraw/zinc/28/40/76/1067284076.db2.gz XMAGBEJCDTTYBE-FCHUYYIVSA-N 0 0 452.986 4.987 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)ccc21 ZINC001459296148 1067284946 /nfs/dbraw/zinc/28/49/46/1067284946.db2.gz FTUVPENNRPSBEQ-XMMPIXPASA-N 0 0 450.922 4.634 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2sc3ccccc3c2C)cc1S(=O)(=O)N1CCCC1 ZINC001459296443 1067285076 /nfs/dbraw/zinc/28/50/76/1067285076.db2.gz GRDSWIQUPSAEDJ-MRXNPFEDSA-N 0 0 459.589 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C1(C)C ZINC001453170471 1067285259 /nfs/dbraw/zinc/28/52/59/1067285259.db2.gz SVOUFWALPJWXEW-IEBWSBKVSA-N 0 0 459.587 4.815 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cnn(C)c2)O1 ZINC001546048167 1067285779 /nfs/dbraw/zinc/28/57/79/1067285779.db2.gz IYUHCUGRBJWYRU-WMZHIEFXSA-N 0 0 487.446 4.734 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cn(Cc2ccccc2)nn1 ZINC001459298664 1067285938 /nfs/dbraw/zinc/28/59/38/1067285938.db2.gz SYEBTJFAQFKZHS-MRXNPFEDSA-N 0 0 453.262 4.512 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)C2 ZINC001459298533 1067285979 /nfs/dbraw/zinc/28/59/79/1067285979.db2.gz SGMSYAUYRHMLGT-RHSMWYFYSA-N 0 0 458.274 4.819 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@H]1c1ccc(F)cc1 ZINC001459299658 1067286366 /nfs/dbraw/zinc/28/63/66/1067286366.db2.gz YBWNWKFIIKIRID-WMTXJRDZSA-N 0 0 481.568 4.886 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546048202 1067286384 /nfs/dbraw/zinc/28/63/84/1067286384.db2.gz JGQTWIIJIYECAY-HYBUGGRVSA-N 0 0 457.022 4.933 20 0 JJADRN O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001459299368 1067286456 /nfs/dbraw/zinc/28/64/56/1067286456.db2.gz WIWDIDAXTKKSJA-PRPIBZDOSA-N 0 0 454.370 4.860 20 0 JJADRN CCc1nc(COc2ccc(C(=O)OCc3ccc(Cl)cc3Br)cc2)no1 ZINC001459300190 1067286847 /nfs/dbraw/zinc/28/68/47/1067286847.db2.gz RNDALLIGRKZYAZ-UHFFFAOYSA-N 0 0 451.704 4.984 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 ZINC001459300407 1067287002 /nfs/dbraw/zinc/28/70/02/1067287002.db2.gz VKUDRCWCLSWTDT-QGZVFWFLSA-N 0 0 450.425 4.602 20 0 JJADRN COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459301587 1067287400 /nfs/dbraw/zinc/28/74/00/1067287400.db2.gz PFBNYCWDUHHOON-CVDCTZTESA-N 0 0 452.478 4.935 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)c1ccccc1OCC1CC1 ZINC001459303468 1067287871 /nfs/dbraw/zinc/28/78/71/1067287871.db2.gz DKTOUHDPDFIGJR-UHFFFAOYSA-N 0 0 450.301 4.942 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2Br)cc1Br ZINC001459304425 1067288418 /nfs/dbraw/zinc/28/84/18/1067288418.db2.gz MVOUFQOPIHVANA-UHFFFAOYSA-N 0 0 459.134 4.880 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)O1 ZINC001546048405 1067288300 /nfs/dbraw/zinc/28/83/00/1067288300.db2.gz LODYIKFESBZZMX-NBGIEHNGSA-N 0 0 483.016 4.725 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)O1 ZINC001546048419 1067288369 /nfs/dbraw/zinc/28/83/69/1067288369.db2.gz LYVKRIRTGNWRKS-CTIGNXTNSA-N 0 0 474.049 4.639 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(Cl)ccc3OC3CCCC3)C2=O)c1 ZINC001459305447 1067288765 /nfs/dbraw/zinc/28/87/65/1067288765.db2.gz YPSFCKBHVNIRMQ-LJQANCHMSA-N 0 0 455.942 4.814 20 0 JJADRN Cc1cccc(C)c1OCCNC(=O)CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001459307196 1067289225 /nfs/dbraw/zinc/28/92/25/1067289225.db2.gz BBKZHPBMWOUQQA-UHFFFAOYSA-N 0 0 450.623 4.592 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](OC)C2)O1 ZINC001546048572 1067289199 /nfs/dbraw/zinc/28/91/99/1067289199.db2.gz NUALAVNORFITMT-HMFYCAOWSA-N 0 0 463.420 4.589 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)c1n[nH]c2ccc(Cl)cc21 ZINC001459307099 1067289291 /nfs/dbraw/zinc/28/92/91/1067289291.db2.gz ZGMVSQMYJJWYNV-UHFFFAOYSA-N 0 0 454.680 4.683 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN(Cc3ccccc3OC)C[C@H]3CCCO3)cs2)c1 ZINC001459306703 1067289298 /nfs/dbraw/zinc/28/92/98/1067289298.db2.gz KXGFFOHULGNHIN-JOCHJYFZSA-N 0 0 452.576 4.787 20 0 JJADRN COc1cc(CN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)ccc1OC(F)F ZINC001459307919 1067289929 /nfs/dbraw/zinc/28/99/29/1067289929.db2.gz GAIGXANYIWQNHD-UHFFFAOYSA-N 0 0 459.537 4.890 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546048637 1067290200 /nfs/dbraw/zinc/29/02/00/1067290200.db2.gz OLWPJLZUKGLBSX-KDYSTLNUSA-N 0 0 494.640 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC001453228157 1067290975 /nfs/dbraw/zinc/29/09/75/1067290975.db2.gz QSFWFZHRRAJYKT-HSZRJFAPSA-N 0 0 450.579 4.720 20 0 JJADRN O=C([C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453251904 1067291321 /nfs/dbraw/zinc/29/13/21/1067291321.db2.gz ZBHWISZVBGMUOL-QHCPKHFHSA-N 0 0 454.929 4.590 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546048950 1067291362 /nfs/dbraw/zinc/29/13/62/1067291362.db2.gz RVRAZGVAQLSDON-HCLVMJGWSA-N 0 0 477.447 4.918 20 0 JJADRN O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453249076 1067291410 /nfs/dbraw/zinc/29/14/10/1067291410.db2.gz VHMFIODJBVILEH-PLNGDYQASA-N 0 0 458.402 4.729 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459313799 1067291540 /nfs/dbraw/zinc/29/15/40/1067291540.db2.gz CFZDMESATFKYSI-BUXKBTBVSA-N 0 0 453.297 4.680 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001459315164 1067291746 /nfs/dbraw/zinc/29/17/46/1067291746.db2.gz RQXCVJHSUDZJGE-UHFFFAOYSA-N 0 0 450.801 4.917 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CCC(O)(Cc4nc(C)cs4)CC3)c(F)c2)c(F)c1 ZINC001453263731 1067291928 /nfs/dbraw/zinc/29/19/28/1067291928.db2.gz HLSPIHILYTWFDQ-UHFFFAOYSA-N 0 0 458.530 4.615 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2scnc2C)O1 ZINC001546048990 1067291958 /nfs/dbraw/zinc/29/19/58/1067291958.db2.gz SJBJPURGCVLBJE-YWZLYKJASA-N 0 0 479.448 4.785 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H](C3OCCO3)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459317385 1067292567 /nfs/dbraw/zinc/29/25/67/1067292567.db2.gz JEMSERQKSDDEQN-CQSZACIVSA-N 0 0 456.395 4.719 20 0 JJADRN CCOC(=O)[C@]1(F)CN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC12CCC2 ZINC001453274617 1067293007 /nfs/dbraw/zinc/29/30/07/1067293007.db2.gz CMLTUVSVLBGIQQ-HXUWFJFHSA-N 0 0 456.461 4.726 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1cccc(C)c1C ZINC001459317726 1067293159 /nfs/dbraw/zinc/29/31/59/1067293159.db2.gz NHLBRYRKDPDYCD-QFIPXVFZSA-N 0 0 450.560 4.960 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC001459317739 1067293169 /nfs/dbraw/zinc/29/31/69/1067293169.db2.gz YCUKBPKMVSPWAT-MRXNPFEDSA-N 0 0 457.983 4.570 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC001453269324 1067293108 /nfs/dbraw/zinc/29/31/08/1067293108.db2.gz PKFKXFUQFCOANT-KRWDZBQOSA-N 0 0 454.493 4.576 20 0 JJADRN COc1ccc(CN(C)C(=O)c2cc3cc(Br)cc(Br)c3o2)cn1 ZINC001453285255 1067293438 /nfs/dbraw/zinc/29/34/38/1067293438.db2.gz IAXZMRWNWNSKQN-UHFFFAOYSA-N 0 0 454.118 4.634 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc(OC)c1OCc1ccccc1 ZINC001453281456 1067293507 /nfs/dbraw/zinc/29/35/07/1067293507.db2.gz JUMRVTYZHJWMDG-BJKOFHAPSA-N 0 0 461.558 4.521 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccnc(OC(C)C)c2)c1 ZINC001459318740 1067293547 /nfs/dbraw/zinc/29/35/47/1067293547.db2.gz HVFPINGSFUYNMF-UHFFFAOYSA-N 0 0 458.518 4.991 20 0 JJADRN COc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)sc1Br ZINC001453282589 1067293638 /nfs/dbraw/zinc/29/36/38/1067293638.db2.gz CVAGWMCNECAIRN-CQSZACIVSA-N 0 0 452.370 4.601 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453287376 1067294060 /nfs/dbraw/zinc/29/40/60/1067294060.db2.gz NZOOLADHLDVALP-GHTZIAJQSA-N 0 0 460.521 4.996 20 0 JJADRN COc1cc(Cl)ccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001459322707 1067294533 /nfs/dbraw/zinc/29/45/33/1067294533.db2.gz XUQPAZRGINBMPP-UHFFFAOYSA-N 0 0 450.988 4.638 20 0 JJADRN O=C(COc1cccc(Br)c1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459322715 1067294636 /nfs/dbraw/zinc/29/46/36/1067294636.db2.gz CDDFVVZIZFZBBU-SFHVURJKSA-N 0 0 457.137 4.997 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)S[C@@H](C)C2)O1 ZINC001546049224 1067294919 /nfs/dbraw/zinc/29/49/19/1067294919.db2.gz XHRVEWXFKSNAGE-LPRVAIFDSA-N 0 0 468.465 4.714 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)N(CC(C)C)C(C)(C)c1ccc(Br)cc1 ZINC001459324534 1067295015 /nfs/dbraw/zinc/29/50/15/1067295015.db2.gz GXRHJORQLVRADB-SFHVURJKSA-N 0 0 455.462 4.870 20 0 JJADRN O=C(CCN1CSCCSC1)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001453305268 1067295688 /nfs/dbraw/zinc/29/56/88/1067295688.db2.gz TULPSBXYOXQUAH-UHFFFAOYSA-N 0 0 458.531 4.749 20 0 JJADRN O=C(Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1)c1cc2c([nH]c1=O)CCCC2=O ZINC001453304052 1067295732 /nfs/dbraw/zinc/29/57/32/1067295732.db2.gz NHFOXEZFJLNXAE-UHFFFAOYSA-N 0 0 458.396 4.596 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)N1Cc2ccccc2C1=O ZINC001459327901 1067295714 /nfs/dbraw/zinc/29/57/14/1067295714.db2.gz DZYWBMFJANJBPX-NHCUHLMSSA-N 0 0 459.359 4.836 20 0 JJADRN CC(C)CN(C(=O)Cn1c(=O)cnc2ccccc21)C(C)(C)c1ccc(Br)cc1 ZINC001459326243 1067295771 /nfs/dbraw/zinc/29/57/71/1067295771.db2.gz JCNVCSAOFFNBST-UHFFFAOYSA-N 0 0 456.384 4.579 20 0 JJADRN CN(CCCNC(=O)OC(C)(C)C)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001453304297 1067295831 /nfs/dbraw/zinc/29/58/31/1067295831.db2.gz UMTOBUXXHFMHQC-UHFFFAOYSA-N 0 0 455.983 4.603 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC001459327644 1067295838 /nfs/dbraw/zinc/29/58/38/1067295838.db2.gz CXJPLPRAYVJBND-UHFFFAOYSA-N 0 0 457.596 4.894 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546049392 1067296269 /nfs/dbraw/zinc/29/62/69/1067296269.db2.gz YYCXZGHQJRAGLW-BKMJKUGQSA-N 0 0 464.614 4.851 20 0 JJADRN CCOC(=O)C[C@@](C)(NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C(C)C ZINC001459328646 1067296331 /nfs/dbraw/zinc/29/63/31/1067296331.db2.gz MCTAXSSZQLNCHJ-HXUWFJFHSA-N 0 0 459.896 4.701 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSCC2)O1 ZINC001546049382 1067296366 /nfs/dbraw/zinc/29/63/66/1067296366.db2.gz YTNVIGVLBNQJDF-YWZLYKJASA-N 0 0 469.424 4.748 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546049393 1067296433 /nfs/dbraw/zinc/29/64/33/1067296433.db2.gz YYCXZGHQJRAGLW-GJZUVCINSA-N 0 0 464.614 4.851 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)c3sc(-c4ccc(Cl)cc4)nc3C)ccc21 ZINC001459331110 1067296420 /nfs/dbraw/zinc/29/64/20/1067296420.db2.gz QRNJCKWILJZWCZ-UHFFFAOYSA-N 0 0 455.967 4.950 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)O1 ZINC001459328804 1067296550 /nfs/dbraw/zinc/29/65/50/1067296550.db2.gz PWRCKIQBICWURE-IBGZPJMESA-N 0 0 454.368 4.989 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)[nH]c(C)c1C(C)=O ZINC001453320496 1067296718 /nfs/dbraw/zinc/29/67/18/1067296718.db2.gz CWQDNLFPNYLECN-FQEVSTJZSA-N 0 0 459.631 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc4ccc(O)cc4c3O)CC2)C1 ZINC001453316539 1067296823 /nfs/dbraw/zinc/29/68/23/1067296823.db2.gz CUFYNZPFFRCRBV-IBGZPJMESA-N 0 0 454.567 4.750 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001459331760 1067296929 /nfs/dbraw/zinc/29/69/29/1067296929.db2.gz MSAWJGIWRAMHGT-SANMLTNESA-N 0 0 454.526 4.718 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001459333085 1067297027 /nfs/dbraw/zinc/29/70/27/1067297027.db2.gz JUJXNHNUUYRWBA-UHFFFAOYSA-N 0 0 451.361 4.546 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)C[C@@H]3CCc4sccc4C3=O)nc21 ZINC001453324184 1067297134 /nfs/dbraw/zinc/29/71/34/1067297134.db2.gz CQEODHKXMAZTLM-VIFPVBQESA-N 0 0 451.367 4.903 20 0 JJADRN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(N2CCOC2=O)ccc1F ZINC001459335755 1067297464 /nfs/dbraw/zinc/29/74/64/1067297464.db2.gz NRKDVUJYPDSSBS-GOSISDBHSA-N 0 0 451.267 4.565 20 0 JJADRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001459336839 1067298026 /nfs/dbraw/zinc/29/80/26/1067298026.db2.gz PQNJZHGGILVPLI-HUUCEWRRSA-N 0 0 456.151 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001453333377 1067298151 /nfs/dbraw/zinc/29/81/51/1067298151.db2.gz KDAUVMDZTUOXEM-QGZVFWFLSA-N 0 0 455.521 4.529 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001459340145 1067298340 /nfs/dbraw/zinc/29/83/40/1067298340.db2.gz USXIOMRTTXCOND-UHFFFAOYSA-N 0 0 452.601 4.963 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001459340174 1067298390 /nfs/dbraw/zinc/29/83/90/1067298390.db2.gz UVRLYOPXNBVPHN-UHFFFAOYSA-N 0 0 454.885 4.996 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001453333894 1067298674 /nfs/dbraw/zinc/29/86/74/1067298674.db2.gz LLTOPCSABMLWOO-OAQYLSRUSA-N 0 0 452.599 4.680 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3cc(F)cc(Br)c3)C3CC3)CC2=O)c1C ZINC001459342307 1067298753 /nfs/dbraw/zinc/29/87/53/1067298753.db2.gz ZGKCZONHNVGBPT-VGOFRKELSA-N 0 0 459.359 4.825 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)N[C@@H](c3cc(F)cc(Br)c3)C3CC3)CC2=O)c1C ZINC001459342298 1067298919 /nfs/dbraw/zinc/29/89/19/1067298919.db2.gz ZGKCZONHNVGBPT-HTAPYJJXSA-N 0 0 459.359 4.825 20 0 JJADRN CN(CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(Br)c1 ZINC001459345414 1067298986 /nfs/dbraw/zinc/29/89/86/1067298986.db2.gz IOMGJTUHONQRMQ-UHFFFAOYSA-N 0 0 453.380 4.776 20 0 JJADRN Cn1cc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C2CCCCC2)n1 ZINC001453341127 1067298950 /nfs/dbraw/zinc/29/89/50/1067298950.db2.gz RCQFKDMDEZFADG-OAQYLSRUSA-N 0 0 458.647 4.967 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1-c1ccccc1 ZINC001453337114 1067299072 /nfs/dbraw/zinc/29/90/72/1067299072.db2.gz LIZMFABPVPQLLH-OAQYLSRUSA-N 0 0 452.599 4.680 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1-c1ccccc1 ZINC001453337108 1067299100 /nfs/dbraw/zinc/29/91/00/1067299100.db2.gz LIZMFABPVPQLLH-NRFANRHFSA-N 0 0 452.599 4.680 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c(NC(C)C)c1 ZINC001453349879 1067300227 /nfs/dbraw/zinc/30/02/27/1067300227.db2.gz QKOKOOOZEWOELX-UHFFFAOYSA-N 0 0 455.555 4.961 20 0 JJADRN C[C@H](CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccccn1 ZINC001453355438 1067300549 /nfs/dbraw/zinc/30/05/49/1067300549.db2.gz HXFCUQQYTDOPRC-SNVBAGLBSA-N 0 0 459.806 4.806 20 0 JJADRN Cc1cc(CN(C)CC(=O)N(C)c2nc3ccccc3s2)cc(C)c1OCC(F)(F)F ZINC001459349272 1067300683 /nfs/dbraw/zinc/30/06/83/1067300683.db2.gz JISSZZGSNKJIFA-UHFFFAOYSA-N 0 0 451.514 4.949 20 0 JJADRN Cc1c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cnn1-c1cc(C)ccc1C ZINC001453364698 1067300986 /nfs/dbraw/zinc/30/09/86/1067300986.db2.gz IGTMWPNDKPKEJR-MJGOQNOKSA-N 0 0 481.232 4.766 20 0 JJADRN COc1cccc(C(F)F)c1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001453361921 1067301002 /nfs/dbraw/zinc/30/10/02/1067301002.db2.gz ATNYPPIVOLOPQH-ABAIWWIYSA-N 0 0 453.121 4.601 20 0 JJADRN C[C@]12CCN(C(=O)c3ccccc3-c3ccncc3)C[C@H]1C2(Br)Br ZINC001453367715 1067301419 /nfs/dbraw/zinc/30/14/19/1067301419.db2.gz MSTPOWGKKDAVFL-AEFFLSMTSA-N 0 0 450.174 4.717 20 0 JJADRN CCc1c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cnn1C1CCCC1 ZINC001453367703 1067301544 /nfs/dbraw/zinc/30/15/44/1067301544.db2.gz MKLOCSYFUFNJSP-WBVHZDCISA-N 0 0 459.226 4.529 20 0 JJADRN COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001459353922 1067301681 /nfs/dbraw/zinc/30/16/81/1067301681.db2.gz WQTDGCXQKPRKCU-MSOLQXFVSA-N 0 0 458.274 4.756 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)NCC(C)(C)c3cccc(Cl)c3F)CCCC2)cc1 ZINC001459353796 1067301772 /nfs/dbraw/zinc/30/17/72/1067301772.db2.gz OTMZQUZEVOMGJW-UHFFFAOYSA-N 0 0 451.991 4.968 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)[C@@H](C)C(=O)OC(C)(C)C ZINC001453380083 1067302562 /nfs/dbraw/zinc/30/25/62/1067302562.db2.gz ZOPLDQFTJWQFKK-HNNXBMFYSA-N 0 0 454.398 4.917 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N[C@@](C)(CC(=O)OC)c1ccccn1 ZINC001459361166 1067302792 /nfs/dbraw/zinc/30/27/92/1067302792.db2.gz BEOOIPGTYNEMKR-QFIPXVFZSA-N 0 0 451.489 4.545 20 0 JJADRN O=C(/C=C\c1cc(Cl)cc(Cl)c1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453395402 1067303445 /nfs/dbraw/zinc/30/34/45/1067303445.db2.gz BATNINBKKLLKNK-WTXXCYMFSA-N 0 0 455.179 4.805 20 0 JJADRN CCCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001459363211 1067303651 /nfs/dbraw/zinc/30/36/51/1067303651.db2.gz CHWKIAZTNYVHKB-HNNXBMFYSA-N 0 0 457.372 4.605 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccncc1 ZINC001459366656 1067304301 /nfs/dbraw/zinc/30/43/01/1067304301.db2.gz ORJPXMBPRXAONI-QFIPXVFZSA-N 0 0 459.384 4.641 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC001459367236 1067304309 /nfs/dbraw/zinc/30/43/09/1067304309.db2.gz OESVEHFEUSTSJD-HNNXBMFYSA-N 0 0 455.536 4.541 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)C(C)(C)c1ccccc1Cl ZINC001459369117 1067304845 /nfs/dbraw/zinc/30/48/45/1067304845.db2.gz MVVAMZMFFQANFR-UHFFFAOYSA-N 0 0 457.821 4.607 20 0 JJADRN C[C@H](C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)c1c(Cl)cccc1Cl ZINC001453412784 1067304836 /nfs/dbraw/zinc/30/48/36/1067304836.db2.gz YLQZNXMNWFGHIZ-FKIZINRSSA-N 0 0 457.195 4.896 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001459369433 1067304991 /nfs/dbraw/zinc/30/49/91/1067304991.db2.gz BZWXYXDPYMFPOQ-UHFFFAOYSA-N 0 0 450.922 4.950 20 0 JJADRN C[C@H](C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)c1c(Cl)cccc1Cl ZINC001453412790 1067304948 /nfs/dbraw/zinc/30/49/48/1067304948.db2.gz YLQZNXMNWFGHIZ-YUNKPMOVSA-N 0 0 457.195 4.896 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc(Br)ccc1N ZINC001453411431 1067304999 /nfs/dbraw/zinc/30/49/99/1067304999.db2.gz VBIRACUCTKZVHJ-MRXNPFEDSA-N 0 0 454.162 4.780 20 0 JJADRN C[C@@H](C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)c1c(Cl)cccc1Cl ZINC001453412788 1067305041 /nfs/dbraw/zinc/30/50/41/1067305041.db2.gz YLQZNXMNWFGHIZ-ODXCJYRJSA-N 0 0 457.195 4.896 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)O1 ZINC001546050784 1067305059 /nfs/dbraw/zinc/30/50/59/1067305059.db2.gz BMUIWODALSMFPV-CDNPAEQRSA-N 0 0 481.563 4.526 20 0 JJADRN CC[S@](=O)c1ccccc1C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001453420662 1067305326 /nfs/dbraw/zinc/30/53/26/1067305326.db2.gz VJQJRPHBMRACSJ-SANMLTNESA-N 0 0 454.239 4.867 20 0 JJADRN O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453431342 1067305644 /nfs/dbraw/zinc/30/56/44/1067305644.db2.gz CCXCZZYGWSCSCH-OAHLLOKOSA-N 0 0 452.960 4.740 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)c1cc(C2CC2)oc1C1CC1 ZINC001459374144 1067306668 /nfs/dbraw/zinc/30/66/68/1067306668.db2.gz IHQCACJIPYIQSX-UHFFFAOYSA-N 0 0 451.386 4.637 20 0 JJADRN Cc1ccc(SC2(C(=O)N3CCC[C@H](S(=O)(=O)Nc4ccccc4)C3)CCCC2)cc1 ZINC001453447952 1067306866 /nfs/dbraw/zinc/30/68/66/1067306866.db2.gz WXWTYQLXIDTHGQ-QFIPXVFZSA-N 0 0 458.649 4.833 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001459373784 1067306815 /nfs/dbraw/zinc/30/68/15/1067306815.db2.gz HXAMWQMSIWFHBT-GOSISDBHSA-N 0 0 459.550 4.564 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC001459375685 1067306960 /nfs/dbraw/zinc/30/69/60/1067306960.db2.gz KICZTJNVTWPRPV-KRWDZBQOSA-N 0 0 453.583 4.905 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)Oc1ccc(NC(=O)c2cccnc2)cc1C ZINC001459378545 1067307568 /nfs/dbraw/zinc/30/75/68/1067307568.db2.gz VDXIFBFJEYFIAW-UHFFFAOYSA-N 0 0 450.564 4.979 20 0 JJADRN COc1ccc(NC(C)=O)cc1N(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)C(C)C ZINC001459378830 1067307664 /nfs/dbraw/zinc/30/76/64/1067307664.db2.gz QOELBHVGZLSNNB-UHFFFAOYSA-N 0 0 453.518 4.552 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)C2)c1 ZINC001453472775 1067307691 /nfs/dbraw/zinc/30/76/91/1067307691.db2.gz CGHZROGKOBNFFO-DEOSSOPVSA-N 0 0 456.612 4.503 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C12CCC2 ZINC001453470127 1067307769 /nfs/dbraw/zinc/30/77/69/1067307769.db2.gz TXZLPKYLSREPBW-ZOCZFRKYSA-N 0 0 456.530 4.679 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC001459377296 1067307740 /nfs/dbraw/zinc/30/77/40/1067307740.db2.gz PEGSAEFOTNSJMN-UHFFFAOYSA-N 0 0 452.363 4.797 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C12CCC2 ZINC001453470124 1067307817 /nfs/dbraw/zinc/30/78/17/1067307817.db2.gz TXZLPKYLSREPBW-WHSLLNHNSA-N 0 0 456.530 4.679 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)on1 ZINC001453472934 1067307841 /nfs/dbraw/zinc/30/78/41/1067307841.db2.gz AGPOWIDUCDLJMA-HXUWFJFHSA-N 0 0 457.983 4.564 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C12CCC2 ZINC001453470121 1067307851 /nfs/dbraw/zinc/30/78/51/1067307851.db2.gz TXZLPKYLSREPBW-MRUHUIDDSA-N 0 0 456.530 4.679 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCOC[C@@H]3c3cc(F)cc(F)c3)cc2)c(OC)c1 ZINC001453480455 1067308066 /nfs/dbraw/zinc/30/80/66/1067308066.db2.gz AJFLUIPSSWBBCY-HSZRJFAPSA-N 0 0 454.473 4.939 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)c1coc2ccc(Cl)cc21 ZINC001459379154 1067308274 /nfs/dbraw/zinc/30/82/74/1067308274.db2.gz UAUSGXNHSRBIFN-UHFFFAOYSA-N 0 0 455.761 4.689 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCc2cccc(OCC(F)(F)F)c2)c1 ZINC001459379535 1067308284 /nfs/dbraw/zinc/30/82/84/1067308284.db2.gz HHNZQBJDUSNIHR-UHFFFAOYSA-N 0 0 452.473 4.876 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC001459379315 1067308331 /nfs/dbraw/zinc/30/83/31/1067308331.db2.gz WRTGHAUSYRHAGV-UHFFFAOYSA-N 0 0 458.265 4.934 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC001459379080 1067308344 /nfs/dbraw/zinc/30/83/44/1067308344.db2.gz SIEXASZTSZKQAB-UHFFFAOYSA-N 0 0 452.605 4.544 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480364 1067308275 /nfs/dbraw/zinc/30/82/75/1067308275.db2.gz VCMFJVSYTQZGHI-AFMDSPMNSA-N 0 0 458.599 4.685 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC001453480614 1067308438 /nfs/dbraw/zinc/30/84/38/1067308438.db2.gz SYSAHZZVXGVPSE-FQEVSTJZSA-N 0 0 459.518 4.902 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001459382132 1067308762 /nfs/dbraw/zinc/30/87/62/1067308762.db2.gz ZSNCTDJLFNVMSY-HOYKHHGWSA-N 0 0 459.993 4.684 20 0 JJADRN CCCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)Cc1c(F)cccc1Cl ZINC001459381150 1067308789 /nfs/dbraw/zinc/30/87/89/1067308789.db2.gz ULGCZSSUASRPII-UHFFFAOYSA-N 0 0 450.942 4.812 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCc2sc(Br)cc2C1 ZINC001453486496 1067308863 /nfs/dbraw/zinc/30/88/63/1067308863.db2.gz DNZYANIGTSXYSU-LSDHHAIUSA-N 0 0 457.434 4.869 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCC[C@](O)(c2ccccc2)C1 ZINC001453497141 1067309485 /nfs/dbraw/zinc/30/94/85/1067309485.db2.gz YFNVTDLYJKGVBW-HSZRJFAPSA-N 0 0 455.352 4.790 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546051875 1067309971 /nfs/dbraw/zinc/30/99/71/1067309971.db2.gz PKGZBNJCYZOZJG-DRCLYLBJSA-N 0 0 461.651 4.633 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546051877 1067310004 /nfs/dbraw/zinc/31/00/04/1067310004.db2.gz PKGZBNJCYZOZJG-NAOGDZDTSA-N 0 0 461.651 4.633 20 0 JJADRN CCC1(CC)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC001546108477 1067310336 /nfs/dbraw/zinc/31/03/36/1067310336.db2.gz CGTNFGMMNHHZLJ-QHCPKHFHSA-N 0 0 453.675 4.784 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001453512344 1067310465 /nfs/dbraw/zinc/31/04/65/1067310465.db2.gz QREDACBWMBXOGN-ACIOBRDBSA-N 0 0 464.562 4.558 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N(CCOC)[C@H]2CC[C@@H](C)C2)O1 ZINC001546052048 1067310519 /nfs/dbraw/zinc/31/05/19/1067310519.db2.gz QYOMQGCHPHHJOK-SBZFUYPRSA-N 0 0 456.631 4.943 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)O1 ZINC001546052238 1067310923 /nfs/dbraw/zinc/31/09/23/1067310923.db2.gz TZAPFBZYQJTSIW-NJNPRVFISA-N 0 0 467.536 4.544 20 0 JJADRN O=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390226 1067311576 /nfs/dbraw/zinc/31/15/76/1067311576.db2.gz HSUXSONQRDPOTO-OAQYLSRUSA-N 0 0 457.546 4.632 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCC([C@@H]2CCCCO2)CC1 ZINC001453535262 1067311712 /nfs/dbraw/zinc/31/17/12/1067311712.db2.gz IQHYWHAUFWKZFG-INIZCTEOSA-N 0 0 455.443 4.984 20 0 JJADRN CC(C)Cc1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453534832 1067311725 /nfs/dbraw/zinc/31/17/25/1067311725.db2.gz AIBFDUAUSHRSBL-VQTJNVASSA-N 0 0 456.549 4.979 20 0 JJADRN COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Br)ccc2OC)cc1Cl ZINC001459393176 1067311743 /nfs/dbraw/zinc/31/17/43/1067311743.db2.gz BEQYDJXIJJJPNA-QGZVFWFLSA-N 0 0 453.764 4.895 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001453535861 1067311826 /nfs/dbraw/zinc/31/18/26/1067311826.db2.gz LBJBIRZCUKKMQH-QFBILLFUSA-N 0 0 453.530 4.791 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)cc21 ZINC001453543665 1067312869 /nfs/dbraw/zinc/31/28/69/1067312869.db2.gz MPGPLVAZLPDQMT-DZGCQCFKSA-N 0 0 457.468 4.781 20 0 JJADRN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001459397164 1067313163 /nfs/dbraw/zinc/31/31/63/1067313163.db2.gz RQQAWIZBRQSWHE-LBPRGKRZSA-N 0 0 459.390 4.530 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001453549439 1067313580 /nfs/dbraw/zinc/31/35/80/1067313580.db2.gz SXEOFWVWTHOQCV-IRXDYDNUSA-N 0 0 451.489 4.847 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)c1oc2ccc(Br)cc2c1C ZINC001453549227 1067313687 /nfs/dbraw/zinc/31/36/87/1067313687.db2.gz MGUKGIQVXJJFED-UHFFFAOYSA-N 0 0 454.118 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1[C@@H]1CCCO1 ZINC001453549572 1067313733 /nfs/dbraw/zinc/31/37/33/1067313733.db2.gz KMBGGZGFMYKHQK-IPELMVKDSA-N 0 0 457.398 4.804 20 0 JJADRN Cc1ccc(CC2CN(C(=O)c3cc(I)cc(C(F)(F)F)c3)C2)cc1 ZINC001453562382 1067314755 /nfs/dbraw/zinc/31/47/55/1067314755.db2.gz JTFXVNLDCQXUOQ-UHFFFAOYSA-N 0 0 459.249 4.933 20 0 JJADRN CCO[C@@H](C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@H]1CCOC1 ZINC001459408080 1067315275 /nfs/dbraw/zinc/31/52/75/1067315275.db2.gz ZQEWFKPIXGRYLT-FXAWDEMLSA-N 0 0 452.414 4.789 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453573800 1067315245 /nfs/dbraw/zinc/31/52/45/1067315245.db2.gz CCEWLOTUZHBSJH-LOSJGSFVSA-N 0 0 474.605 4.551 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCc2ccc(C)cc2Br)[C@H](C)C1 ZINC001459409927 1067315604 /nfs/dbraw/zinc/31/56/04/1067315604.db2.gz GUBNOXDLSSVNIH-LJQANCHMSA-N 0 0 459.428 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccccc2Br)C1 ZINC001453577470 1067315605 /nfs/dbraw/zinc/31/56/05/1067315605.db2.gz MDALJVHEADPRPP-AZUAARDMSA-N 0 0 459.384 4.511 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc21 ZINC001453579252 1067315822 /nfs/dbraw/zinc/31/58/22/1067315822.db2.gz AXHJIUMMOLIPKL-FZKQIMNGSA-N 0 0 469.257 4.603 20 0 JJADRN CC[C@@](C)(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001453581306 1067316175 /nfs/dbraw/zinc/31/61/75/1067316175.db2.gz HCGBSVDUPBSWLV-HXUWFJFHSA-N 0 0 451.386 4.558 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc(F)c(Br)cc2N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453581788 1067316303 /nfs/dbraw/zinc/31/63/03/1067316303.db2.gz NJVPPTPPMVUZFX-FZKQIMNGSA-N 0 0 472.399 4.716 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001453582608 1067316563 /nfs/dbraw/zinc/31/65/63/1067316563.db2.gz UBGYWYNAIHXPFI-NFBKMPQASA-N 0 0 471.642 4.815 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001453600762 1067317435 /nfs/dbraw/zinc/31/74/35/1067317435.db2.gz GIKADMMELDNJSP-GFCCVEGCSA-N 0 0 454.315 4.679 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001453602680 1067317896 /nfs/dbraw/zinc/31/78/96/1067317896.db2.gz XGGKWMVRNQIQLA-XLIONFOSSA-N 0 0 455.574 4.856 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414508 1067318024 /nfs/dbraw/zinc/31/80/24/1067318024.db2.gz LBXOZAOPMZTXSA-OAHLLOKOSA-N 0 0 450.377 4.841 20 0 JJADRN C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cc(F)c(Br)cc1F ZINC001453605214 1067318212 /nfs/dbraw/zinc/31/82/12/1067318212.db2.gz MEMLYRTZEQQAKT-FVMDXXJSSA-N 0 0 452.217 4.527 20 0 JJADRN C[C@@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453607655 1067318707 /nfs/dbraw/zinc/31/87/07/1067318707.db2.gz LYEGAGJVVRUZGB-OXQOHEQNSA-N 0 0 455.555 4.878 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)O1 ZINC001546053466 1067318973 /nfs/dbraw/zinc/31/89/73/1067318973.db2.gz BATUGZVKLVLBQP-DHLKQENFSA-N 0 0 470.017 4.780 20 0 JJADRN Cc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)cnn1-c1ccc(Br)cc1 ZINC001453610357 1067319002 /nfs/dbraw/zinc/31/90/02/1067319002.db2.gz VSWAKINOJAYPRY-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453616393 1067319417 /nfs/dbraw/zinc/31/94/17/1067319417.db2.gz ZIDJTVNHBFBAFA-OAHLLOKOSA-N 0 0 455.908 4.783 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)c1I ZINC001459418390 1067319423 /nfs/dbraw/zinc/31/94/23/1067319423.db2.gz ZCSKIBNGEOPYJL-QGZVFWFLSA-N 0 0 451.352 4.902 20 0 JJADRN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001453634181 1067319784 /nfs/dbraw/zinc/31/97/84/1067319784.db2.gz ABWGPNCONSOGAH-UHFFFAOYSA-N 0 0 457.876 4.958 20 0 JJADRN O=C(NCc1cc2c([nH]c1=O)CCC2)c1cccnc1Sc1ccc(Br)cc1 ZINC001453632045 1067319952 /nfs/dbraw/zinc/31/99/52/1067319952.db2.gz DEBPATCXEZAAIP-UHFFFAOYSA-N 0 0 456.365 4.515 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H]2CCc3ccc(O)cc32)c1)c1cccc(Br)c1 ZINC001453634637 1067320084 /nfs/dbraw/zinc/32/00/84/1067320084.db2.gz GPCDLXIFWRPVPM-NRFANRHFSA-N 0 0 451.320 4.824 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC001459419342 1067320182 /nfs/dbraw/zinc/32/01/82/1067320182.db2.gz QYSCISWJTDSPNT-QHCPKHFHSA-N 0 0 458.602 4.924 20 0 JJADRN COc1ccc(C(C)(C)NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1F ZINC001453647959 1067320269 /nfs/dbraw/zinc/32/02/69/1067320269.db2.gz LWEWIUPQOJQNRO-UHFFFAOYSA-N 0 0 454.571 4.521 20 0 JJADRN Cn1ccnc1[C@@H](CC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)C(F)(F)F ZINC001453644454 1067320288 /nfs/dbraw/zinc/32/02/88/1067320288.db2.gz SLFLILKPUKWWRK-IAGOWNOFSA-N 0 0 452.477 4.607 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCC[C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2Br)on1 ZINC001459421329 1067320380 /nfs/dbraw/zinc/32/03/80/1067320380.db2.gz UYEUICZYYGGTSB-MUJYYYPQSA-N 0 0 451.361 4.648 20 0 JJADRN C[C@@H]1CC(=O)Nc2ccc(C(=O)N[C@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)cc2N1 ZINC001453645733 1067320416 /nfs/dbraw/zinc/32/04/16/1067320416.db2.gz VKLGEFRCDXYVNR-KUHUBIRLSA-N 0 0 450.539 4.594 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546053821 1067320751 /nfs/dbraw/zinc/32/07/51/1067320751.db2.gz FVMSJPIFZRMDST-NVQXNPDNSA-N 0 0 488.076 4.565 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546053842 1067321413 /nfs/dbraw/zinc/32/14/13/1067321413.db2.gz GIOLKRBQBACQLE-HHJKRLRDSA-N 0 0 463.667 4.660 20 0 JJADRN CC(C)C(=O)N1CCCN(Cc2cc(Br)c(Cl)c(Br)c2)CC1 ZINC001459424158 1067322207 /nfs/dbraw/zinc/32/22/07/1067322207.db2.gz PAZXNQWUASOMSS-UHFFFAOYSA-N 0 0 452.618 4.555 20 0 JJADRN Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)c2ccccn12 ZINC001459424362 1067322219 /nfs/dbraw/zinc/32/22/19/1067322219.db2.gz HELCPIVFALNYJE-HXUWFJFHSA-N 0 0 454.958 4.730 20 0 JJADRN Cc1cc2cc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)oc2c(Br)c1 ZINC001459425002 1067322265 /nfs/dbraw/zinc/32/22/65/1067322265.db2.gz IKAOXJMQWMRRRC-NRFANRHFSA-N 0 0 451.361 4.881 20 0 JJADRN O=C(N[C@@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453686894 1067322284 /nfs/dbraw/zinc/32/22/84/1067322284.db2.gz XZHSTPFQHFUIHK-WOJBJXKFSA-N 0 0 464.915 4.726 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001459425187 1067322549 /nfs/dbraw/zinc/32/25/49/1067322549.db2.gz JGGXCZBVXMCRSG-HSZRJFAPSA-N 0 0 451.995 4.702 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)Cc2ccccc2OC)O1 ZINC001546053908 1067322788 /nfs/dbraw/zinc/32/27/88/1067322788.db2.gz GXYZMHLYJJIVEZ-SZEHJLNQSA-N 0 0 463.626 4.688 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(C(C)(C)C)nc2)[C@@H](c2cccc(Cl)c2)C1 ZINC001459427450 1067322952 /nfs/dbraw/zinc/32/29/52/1067322952.db2.gz SKIXVNCODXRTEC-LJQANCHMSA-N 0 0 458.990 4.862 20 0 JJADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001453694290 1067323162 /nfs/dbraw/zinc/32/31/62/1067323162.db2.gz WMZXGFZIQGCQNO-UEMAFTKYSA-N 0 0 451.405 4.979 20 0 JJADRN C[C@](CO)(NC(=O)Cc1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1 ZINC001453696756 1067323218 /nfs/dbraw/zinc/32/32/18/1067323218.db2.gz JGAWXDMJVCODLQ-QGZVFWFLSA-N 0 0 450.682 4.688 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2-c2ccc(Cl)cc2)cc1 ZINC001453693467 1067323242 /nfs/dbraw/zinc/32/32/42/1067323242.db2.gz JEJSJOPFQQOMLO-HNNXBMFYSA-N 0 0 458.971 4.546 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC001459429483 1067323869 /nfs/dbraw/zinc/32/38/69/1067323869.db2.gz YOOWSLXSFVOWNZ-UHFFFAOYSA-N 0 0 459.718 4.789 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001453706030 1067324071 /nfs/dbraw/zinc/32/40/71/1067324071.db2.gz KLVCVUJZEMVHGQ-MJGOQNOKSA-N 0 0 453.366 4.717 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546108865 1067324371 /nfs/dbraw/zinc/32/43/71/1067324371.db2.gz MNEPPVZLUSEQLV-PMACEKPBSA-N 0 0 461.651 4.936 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546054365 1067324727 /nfs/dbraw/zinc/32/47/27/1067324727.db2.gz NEXOPWPTOJXQAR-AMGIVPHBSA-N 0 0 479.625 4.574 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)cc1Br ZINC001453735252 1067324936 /nfs/dbraw/zinc/32/49/36/1067324936.db2.gz ILRUHGSJRXUJAB-KRWDZBQOSA-N 0 0 459.812 4.749 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1=O ZINC001459446468 1067325907 /nfs/dbraw/zinc/32/59/07/1067325907.db2.gz HENAKQFTBCQGJN-UHFFFAOYSA-N 0 0 455.864 4.836 20 0 JJADRN CON(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001453740118 1067326011 /nfs/dbraw/zinc/32/60/11/1067326011.db2.gz QKLNTRXLWIGNIL-LLVKDONJSA-N 0 0 455.376 4.764 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001459446292 1067326095 /nfs/dbraw/zinc/32/60/95/1067326095.db2.gz GRSDTYOHQGAUNY-UHFFFAOYSA-N 0 0 454.401 4.914 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1ccc(Br)cc1 ZINC001453745509 1067326744 /nfs/dbraw/zinc/32/67/44/1067326744.db2.gz UVFYMWRNMIHXCS-GOSISDBHSA-N 0 0 457.759 4.847 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)O1 ZINC001546054481 1067326879 /nfs/dbraw/zinc/32/68/79/1067326879.db2.gz OUGPGQOYCVMRRR-RCZVLFRGSA-N 0 0 454.018 4.944 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1 ZINC001453747208 1067326912 /nfs/dbraw/zinc/32/69/12/1067326912.db2.gz QAKUBDLQMWPPAC-UHFFFAOYSA-N 0 0 454.647 4.946 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)O1 ZINC001546054502 1067327065 /nfs/dbraw/zinc/32/70/65/1067327065.db2.gz OWLYQKWSONMWFA-SNYIIPAISA-N 0 0 463.022 4.688 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)O1 ZINC001546054501 1067327194 /nfs/dbraw/zinc/32/71/94/1067327194.db2.gz OWLYQKWSONMWFA-NSXLHWASSA-N 0 0 463.022 4.688 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC001453749005 1067327234 /nfs/dbraw/zinc/32/72/34/1067327234.db2.gz SALOCVUXWGCEIR-CFGKVWFZSA-N 0 0 453.365 4.711 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546054635 1067327530 /nfs/dbraw/zinc/32/75/30/1067327530.db2.gz PXISLCMCIDAEEA-QDPGVEIFSA-N 0 0 490.652 4.612 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)O1 ZINC001546054602 1067327735 /nfs/dbraw/zinc/32/77/35/1067327735.db2.gz PNGMTQVXCKZABS-LVCYWYKZSA-N 0 0 472.939 4.638 20 0 JJADRN COc1cc2ccc(NC(=O)C3(c4cccc(Br)c4)CC(=O)C3)cc2cc1OC ZINC001453767525 1067328144 /nfs/dbraw/zinc/32/81/44/1067328144.db2.gz CWOYIHIFWLHCMA-UHFFFAOYSA-N 0 0 454.320 4.859 20 0 JJADRN O=C(Nc1n[nH]cc1I)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001453772008 1067328536 /nfs/dbraw/zinc/32/85/36/1067328536.db2.gz CBNQAKQLQMMKDE-QWRGUYRKSA-N 0 0 452.321 4.537 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001453772887 1067328882 /nfs/dbraw/zinc/32/88/82/1067328882.db2.gz QBGNFVALHLGAKQ-HXUWFJFHSA-N 0 0 454.983 4.969 20 0 JJADRN COc1cc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2cc1OC ZINC001453773064 1067329023 /nfs/dbraw/zinc/32/90/23/1067329023.db2.gz SQDMPUNIDRIGEI-KRWDZBQOSA-N 0 0 451.498 4.879 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001459461122 1067329521 /nfs/dbraw/zinc/32/95/21/1067329521.db2.gz AAZJUQKFGISKNB-OALUTQOASA-N 0 0 456.739 4.919 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)Nc3cc(Cl)c(O)c4ccccc34)cc2CN1C(=O)OC(C)(C)C ZINC001453784224 1067329701 /nfs/dbraw/zinc/32/97/01/1067329701.db2.gz TUTUZERHHDHZIP-CYBMUJFWSA-N 0 0 456.930 4.787 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)O1 ZINC001546055212 1067330871 /nfs/dbraw/zinc/33/08/71/1067330871.db2.gz YCUTVFDWXCGYNP-HFZDXXHNSA-N 0 0 490.092 4.679 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)O1 ZINC001546055215 1067330916 /nfs/dbraw/zinc/33/09/16/1067330916.db2.gz YCUTVFDWXCGYNP-RLWLMLJZSA-N 0 0 490.092 4.679 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)NCCC(=O)OC1CCCCC1 ZINC001459467117 1067331282 /nfs/dbraw/zinc/33/12/82/1067331282.db2.gz UJTCNYKOOJRPPK-UHFFFAOYSA-N 0 0 458.599 4.636 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1cc(Br)cc(N)c1N ZINC001453824011 1067331411 /nfs/dbraw/zinc/33/14/11/1067331411.db2.gz QVIJHCUYOUUNBT-LJQANCHMSA-N 0 0 456.306 4.870 20 0 JJADRN OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001459466143 1067331528 /nfs/dbraw/zinc/33/15/28/1067331528.db2.gz KXEBHCNEPNHULO-SANMLTNESA-N 0 0 454.973 4.909 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3)n2)CCCC1 ZINC001453859097 1067332323 /nfs/dbraw/zinc/33/23/23/1067332323.db2.gz FDIZJTIYCQURGR-UHFFFAOYSA-N 0 0 455.452 4.738 20 0 JJADRN COC(=O)/C=C/c1ccc(OCCN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001459467832 1067332367 /nfs/dbraw/zinc/33/23/67/1067332367.db2.gz NCVIGUINWLIICQ-HXRGIAOBSA-N 0 0 454.325 4.771 20 0 JJADRN CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001459468335 1067332443 /nfs/dbraw/zinc/33/24/43/1067332443.db2.gz YPCWCLPODJJBLU-UHFFFAOYSA-N 0 0 450.276 4.538 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459469165 1067332808 /nfs/dbraw/zinc/33/28/08/1067332808.db2.gz NPLJIJCVBQQJQC-RDPSFJRHSA-N 0 0 451.007 4.993 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)COc4cc(C)ccc4C(C)C)CC3)n2)CCCC1 ZINC001453864820 1067332746 /nfs/dbraw/zinc/33/27/46/1067332746.db2.gz VMXSZAMHCXFNMD-UHFFFAOYSA-N 0 0 455.599 4.777 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC001453866335 1067332756 /nfs/dbraw/zinc/33/27/56/1067332756.db2.gz ZMIZHQLJFAWDCC-NRFANRHFSA-N 0 0 456.970 4.591 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC001453866339 1067332797 /nfs/dbraw/zinc/33/27/97/1067332797.db2.gz ZMIZHQLJFAWDCC-OAQYLSRUSA-N 0 0 456.970 4.591 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)c3c2CCC3)c1 ZINC001453870852 1067332831 /nfs/dbraw/zinc/33/28/31/1067332831.db2.gz OYMQHPLCJPJNGY-SFHVURJKSA-N 0 0 457.590 4.932 20 0 JJADRN CC(C)[C@@H](CCNC(=O)c1ccccc1N(C)C(=O)c1cccs1)NC(=O)OC(C)(C)C ZINC001453865195 1067332862 /nfs/dbraw/zinc/33/28/62/1067332862.db2.gz SPOMXBREOACSLK-GOSISDBHSA-N 0 0 459.612 4.694 20 0 JJADRN CCc1ccccc1OCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC001459469112 1067332885 /nfs/dbraw/zinc/33/28/85/1067332885.db2.gz SBGZJLVUSWJMAS-JOCHJYFZSA-N 0 0 456.558 4.978 20 0 JJADRN CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001453872818 1067332970 /nfs/dbraw/zinc/33/29/70/1067332970.db2.gz QTJFUTVZGUNJKG-NJNPRVFISA-N 0 0 453.421 4.782 20 0 JJADRN CO[C@@]1(C)C[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC001453873610 1067333237 /nfs/dbraw/zinc/33/32/37/1067333237.db2.gz WXQMOWKZMOVPJG-UTKZUKDTSA-N 0 0 463.390 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001453876891 1067333578 /nfs/dbraw/zinc/33/35/78/1067333578.db2.gz KPHVSPQQDOTZQJ-SFHVURJKSA-N 0 0 456.505 4.617 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC001453876959 1067333678 /nfs/dbraw/zinc/33/36/78/1067333678.db2.gz RXQNDFZQBDLTJH-DETOXJSWSA-N 0 0 473.358 4.716 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC001453885207 1067334157 /nfs/dbraw/zinc/33/41/57/1067334157.db2.gz BIJDVWWJNRDNAA-QFIPXVFZSA-N 0 0 457.357 4.695 20 0 JJADRN COc1ccc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(Br)c1OC ZINC001459473351 1067334137 /nfs/dbraw/zinc/33/41/37/1067334137.db2.gz CFDZTYWZCQXXQK-AWEZNQCLSA-N 0 0 457.409 4.592 20 0 JJADRN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)cnn1C1CCCCC1 ZINC001459474283 1067334506 /nfs/dbraw/zinc/33/45/06/1067334506.db2.gz AZXQSPPDOLQCFE-QFIPXVFZSA-N 0 0 453.587 4.526 20 0 JJADRN CC1(C)CCC[C@H]1CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001453891611 1067334607 /nfs/dbraw/zinc/33/46/07/1067334607.db2.gz APVIFUYQSKSUMC-LPHOPBHVSA-N 0 0 453.396 4.916 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)C[C@@H](CC(F)(F)F)O1 ZINC001453904888 1067334799 /nfs/dbraw/zinc/33/47/99/1067334799.db2.gz SPIZVBHOWLVXSR-RKDXNWHRSA-N 0 0 455.321 4.816 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001459478885 1067335157 /nfs/dbraw/zinc/33/51/57/1067335157.db2.gz RABWUVUDEZTJTN-HXUWFJFHSA-N 0 0 457.393 4.651 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C1 ZINC001546109118 1067335303 /nfs/dbraw/zinc/33/53/03/1067335303.db2.gz UJSBVTPZKFDYNK-OAQYLSRUSA-N 0 0 485.677 4.614 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3cccc(Br)c3Cl)CC2)c1 ZINC001459477605 1067335365 /nfs/dbraw/zinc/33/53/65/1067335365.db2.gz DBNYFVMXGLVFCI-INIZCTEOSA-N 0 0 451.792 4.523 20 0 JJADRN C[C@H](C(=O)N1CCC[C@]1(C)Cc1cccc2ccccc21)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001453928879 1067335506 /nfs/dbraw/zinc/33/55/06/1067335506.db2.gz DZWOLWKEMZMAPD-AVHWCYKHSA-N 0 0 454.611 4.627 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)N[C@H](CO)c1ccc(F)cc1F ZINC001453908848 1067335546 /nfs/dbraw/zinc/33/55/46/1067335546.db2.gz KIHHWZLJYSDPCI-MRXNPFEDSA-N 0 0 452.217 4.529 20 0 JJADRN COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001453921574 1067335562 /nfs/dbraw/zinc/33/55/62/1067335562.db2.gz MFTJPUHKUSVNSY-UHFFFAOYSA-N 0 0 452.595 4.594 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC001459481884 1067336301 /nfs/dbraw/zinc/33/63/01/1067336301.db2.gz JHKYNNOYLITTGR-SFHVURJKSA-N 0 0 453.583 4.623 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)c2)cn1 ZINC001459487338 1067336587 /nfs/dbraw/zinc/33/65/87/1067336587.db2.gz RIURIGTZQVTEEA-FQEVSTJZSA-N 0 0 457.299 4.734 20 0 JJADRN COc1cccc([C@H](C)N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001459490454 1067337503 /nfs/dbraw/zinc/33/75/03/1067337503.db2.gz ZOIPVLMGEUVNFN-KRWDZBQOSA-N 0 0 456.384 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccccc3c(Cl)n2)[C@H](c2ccncc2)C1 ZINC001459493740 1067338389 /nfs/dbraw/zinc/33/83/89/1067338389.db2.gz XPDCYWMRXVKSSS-FQEVSTJZSA-N 0 0 452.942 4.717 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493645 1067338576 /nfs/dbraw/zinc/33/85/76/1067338576.db2.gz MAHOGNMRBUQYJG-YWZLYKJASA-N 0 0 457.334 4.880 20 0 JJADRN COc1ccc2oc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccncc3)c(C)c2c1 ZINC001459495904 1067338989 /nfs/dbraw/zinc/33/89/89/1067338989.db2.gz ZNDVBADBWJUWJL-FQEVSTJZSA-N 0 0 451.523 4.579 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 ZINC001459497357 1067339121 /nfs/dbraw/zinc/33/91/21/1067339121.db2.gz ZTIAHMMAFAAFSK-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN COc1ccc(-c2nccnc2NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 ZINC001459504033 1067339666 /nfs/dbraw/zinc/33/96/66/1067339666.db2.gz PKCWYZSPKAKZHH-UHFFFAOYSA-N 0 0 457.387 4.748 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(OC)c1 ZINC001459506008 1067340243 /nfs/dbraw/zinc/34/02/43/1067340243.db2.gz AUMMLOSOHPYKML-UHFFFAOYSA-N 0 0 456.627 4.698 20 0 JJADRN COc1ccc([C@@H](CO)N(C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504967 1067340313 /nfs/dbraw/zinc/34/03/13/1067340313.db2.gz VDILQYDIFQGAPV-CQSZACIVSA-N 0 0 452.165 4.913 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001459507619 1067340553 /nfs/dbraw/zinc/34/05/53/1067340553.db2.gz ICBAOWUWDHATDA-JFIYKMOQSA-N 0 0 457.983 4.768 20 0 JJADRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001459507799 1067340741 /nfs/dbraw/zinc/34/07/41/1067340741.db2.gz DKXFREZQFTZVPK-NRFANRHFSA-N 0 0 454.876 4.769 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccccc3COC3CCOCC3)CC2)c1 ZINC001459512714 1067341940 /nfs/dbraw/zinc/34/19/40/1067341940.db2.gz ODTZVRNBGPPWQD-UHFFFAOYSA-N 0 0 457.542 4.500 20 0 JJADRN COc1cc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521393 1067343897 /nfs/dbraw/zinc/34/38/97/1067343897.db2.gz OWWZMFCUVLAZQB-SFHVURJKSA-N 0 0 450.576 4.823 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1ccc2c(c1)CCCCC2=O ZINC001459521665 1067343983 /nfs/dbraw/zinc/34/39/83/1067343983.db2.gz CNJOLHVGLUEIKO-UHFFFAOYSA-N 0 0 453.707 4.784 20 0 JJADRN COc1ccc(CN(C(=O)Cc2cc(F)ccc2Br)[C@H](C)C2CC2)c(OC)c1 ZINC001459527286 1067345095 /nfs/dbraw/zinc/34/50/95/1067345095.db2.gz IVCXZPKJPSMSPO-CQSZACIVSA-N 0 0 450.348 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)C(C)(C)C1 ZINC001459531063 1067346308 /nfs/dbraw/zinc/34/63/08/1067346308.db2.gz VFVXXBCOVPLRFC-LJQANCHMSA-N 0 0 457.596 4.766 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc(OC)cc2OC)[C@@H](C)C2CC2)sc1Br ZINC001459532502 1067346670 /nfs/dbraw/zinc/34/66/70/1067346670.db2.gz QUJLJNMJDDJITF-LBPRGKRZSA-N 0 0 454.386 4.977 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(Br)c2cccnc12)NC(C)=O ZINC001459532764 1067346696 /nfs/dbraw/zinc/34/66/96/1067346696.db2.gz ZCUMAGBXQDQKCY-LJQANCHMSA-N 0 0 456.340 4.602 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CN3CCCCC3=O)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459533978 1067347032 /nfs/dbraw/zinc/34/70/32/1067347032.db2.gz VFVMFHKFKTZBKX-IBGZPJMESA-N 0 0 450.579 4.657 20 0 JJADRN COc1ccc(CN(C(=O)c2cnn(C(C)C)c2Br)[C@H](C)C2CC2)c(OC)c1 ZINC001459533410 1067347044 /nfs/dbraw/zinc/34/70/44/1067347044.db2.gz RZHFPTAMOXBNJH-CQSZACIVSA-N 0 0 450.377 4.685 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2ccc(Br)c3cccnc23)c1-c1ccccc1 ZINC001459533059 1067347156 /nfs/dbraw/zinc/34/71/56/1067347156.db2.gz ZQGRVKZCVWIMRG-UHFFFAOYSA-N 0 0 454.349 4.835 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C2CC2)c(OC)c1 ZINC001459535700 1067347379 /nfs/dbraw/zinc/34/73/79/1067347379.db2.gz ZLBIZSCDMHZHJB-LJQANCHMSA-N 0 0 450.579 4.771 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC001459540001 1067347855 /nfs/dbraw/zinc/34/78/55/1067347855.db2.gz VWWFVLNAPDIJFI-SFHVURJKSA-N 0 0 451.394 4.601 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](CO)c1c(F)cccc1F ZINC001546109702 1067348054 /nfs/dbraw/zinc/34/80/54/1067348054.db2.gz ISNBMOGLFUJDGP-INIZCTEOSA-N 0 0 450.894 4.704 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC001459539081 1067348166 /nfs/dbraw/zinc/34/81/66/1067348166.db2.gz VWWFVLNAPDIJFI-GOSISDBHSA-N 0 0 451.394 4.601 20 0 JJADRN CC(C)CC1(C(=O)NC[C@H]2CCCN2Cc2ccc(I)cc2)CCC1 ZINC001459546497 1067348598 /nfs/dbraw/zinc/34/85/98/1067348598.db2.gz GTTOCUUEIIVAPS-LJQANCHMSA-N 0 0 454.396 4.588 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1c2c(nc3ccccc31)CCC2 ZINC001459552276 1067349266 /nfs/dbraw/zinc/34/92/66/1067349266.db2.gz WSARTQZLRCYSIY-UHFFFAOYSA-N 0 0 456.373 4.809 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001459552528 1067349460 /nfs/dbraw/zinc/34/94/60/1067349460.db2.gz FFZQALYNIZNCBB-KRWDZBQOSA-N 0 0 459.862 4.913 20 0 JJADRN CC(C)c1ncc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC001459558869 1067351052 /nfs/dbraw/zinc/35/10/52/1067351052.db2.gz YNJONPFFXWPWQG-UHFFFAOYSA-N 0 0 458.440 4.889 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1=O ZINC001459559155 1067351406 /nfs/dbraw/zinc/35/14/06/1067351406.db2.gz WUKLZZVDRCTINL-BFUOFWGJSA-N 0 0 458.839 4.569 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c2ccc(Br)cc2nn1C ZINC001459561991 1067351720 /nfs/dbraw/zinc/35/17/20/1067351720.db2.gz ZQCXEPOABZVMTI-UHFFFAOYSA-N 0 0 450.749 4.704 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)nn2C)cc1OC ZINC001459561779 1067351819 /nfs/dbraw/zinc/35/18/19/1067351819.db2.gz XUIPYFSRVVGAIG-UHFFFAOYSA-N 0 0 457.933 4.859 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Br)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001459564158 1067352296 /nfs/dbraw/zinc/35/22/96/1067352296.db2.gz KPSFAVDKOVUBMW-QZTJIDSGSA-N 0 0 457.409 4.534 20 0 JJADRN CCN(CC1CCN([C@@H](C(=O)OC)c2ccccc2C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC001459562733 1067352487 /nfs/dbraw/zinc/35/24/87/1067352487.db2.gz PMJGNMRRAGBKMC-LJQANCHMSA-N 0 0 458.521 4.889 20 0 JJADRN C[C@@H]1CC(=O)Oc2cc(OC(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)ccc21 ZINC001459565160 1067352670 /nfs/dbraw/zinc/35/26/70/1067352670.db2.gz RALNPEXTEKJJFS-FDOZXCGHSA-N 0 0 453.922 4.753 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001459564768 1067352878 /nfs/dbraw/zinc/35/28/78/1067352878.db2.gz QOBNMRRYCPZERS-FDMDGMSGSA-N 0 0 455.274 4.756 20 0 JJADRN CCN(CC1CCN([C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)CC1)C(=O)OC(C)(C)C ZINC001459565085 1067353199 /nfs/dbraw/zinc/35/31/99/1067353199.db2.gz ZQOABENJYQPAGP-LJQANCHMSA-N 0 0 458.521 4.889 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001459568691 1067354479 /nfs/dbraw/zinc/35/44/79/1067354479.db2.gz GPOXENXNIWGTLG-HNNXBMFYSA-N 0 0 455.343 4.648 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001459570437 1067354687 /nfs/dbraw/zinc/35/46/87/1067354687.db2.gz MYRXZJASGXSKQS-HSZRJFAPSA-N 0 0 452.457 4.927 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(Cc1ccccc1)C(C)(C)C(=O)OC ZINC001459570699 1067354872 /nfs/dbraw/zinc/35/48/72/1067354872.db2.gz NOSKDXWRKBEVRJ-UHFFFAOYSA-N 0 0 456.546 4.712 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cc(Cl)cc2cccnc21 ZINC001459574085 1067355278 /nfs/dbraw/zinc/35/52/78/1067355278.db2.gz XQSZRKMNNNPXKP-UHFFFAOYSA-N 0 0 456.731 4.504 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001459578136 1067355524 /nfs/dbraw/zinc/35/55/24/1067355524.db2.gz SGOZGSQTTZTRPG-RUZDIDTESA-N 0 0 458.002 4.846 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cnc(-c3ccccc3Br)s2)C1 ZINC001459575648 1067355708 /nfs/dbraw/zinc/35/57/08/1067355708.db2.gz RKUNLKFKIWBHBG-FQEVSTJZSA-N 0 0 451.386 4.624 20 0 JJADRN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@@H](CCO)c1ccccc1 ZINC001459581020 1067356433 /nfs/dbraw/zinc/35/64/33/1067356433.db2.gz BMQGOPNVNKXVQU-QHCPKHFHSA-N 0 0 451.954 4.586 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC001459586233 1067357587 /nfs/dbraw/zinc/35/75/87/1067357587.db2.gz SXFZZPNICZDHFP-GXTWGEPZSA-N 0 0 452.374 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459607023 1067361611 /nfs/dbraw/zinc/36/16/11/1067361611.db2.gz GAKANEFPZQILGI-UGSOOPFHSA-N 0 0 451.445 4.686 20 0 JJADRN CC(C)(C)c1ncc(COC(=O)CCCOc2ccc(I)cc2)s1 ZINC001459608009 1067362156 /nfs/dbraw/zinc/36/21/56/1067362156.db2.gz GVPHNYXMKLRRQX-UHFFFAOYSA-N 0 0 459.349 4.948 20 0 JJADRN O=C(OCc1ncc(C(F)(F)F)s1)c1nn(-c2ccccc2F)cc1Br ZINC001459609238 1067362167 /nfs/dbraw/zinc/36/21/67/1067362167.db2.gz SKSIAKYWAZIZBW-UHFFFAOYSA-N 0 0 450.211 4.606 20 0 JJADRN Cc1cc(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)n(-c2cc(C)ccn2)n1 ZINC001459609045 1067362290 /nfs/dbraw/zinc/36/22/90/1067362290.db2.gz RNAPKJSJVPLORJ-UHFFFAOYSA-N 0 0 453.428 4.689 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC001459610224 1067362982 /nfs/dbraw/zinc/36/29/82/1067362982.db2.gz ZDTDTZQLZZFITR-UHFFFAOYSA-N 0 0 452.599 4.905 20 0 JJADRN C[C@H]1CCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459610897 1067363128 /nfs/dbraw/zinc/36/31/28/1067363128.db2.gz QJWDRLNISXJQLZ-HOCLYGCPSA-N 0 0 458.584 4.782 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC001459610290 1067363234 /nfs/dbraw/zinc/36/32/34/1067363234.db2.gz AAQYNYNWQNERGA-KRWDZBQOSA-N 0 0 451.386 4.771 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610417 1067363288 /nfs/dbraw/zinc/36/32/88/1067363288.db2.gz APJCTOYAPXYRDU-PBHICJAKSA-N 0 0 453.366 4.881 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)C(F)(F)F ZINC001459615859 1067364848 /nfs/dbraw/zinc/36/48/48/1067364848.db2.gz MKNUMBRRCFFYBS-GCKMJXCFSA-N 0 0 450.501 4.794 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615916 1067365203 /nfs/dbraw/zinc/36/52/03/1067365203.db2.gz PBYGSTVYZWFAEI-LZFFWASXSA-N 0 0 451.611 4.879 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001459617530 1067365751 /nfs/dbraw/zinc/36/57/51/1067365751.db2.gz IRSBDLGTPMNSEZ-SFHVURJKSA-N 0 0 452.274 4.888 20 0 JJADRN CC(C)n1nc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c2ccccc2c1=O ZINC001459617509 1067365770 /nfs/dbraw/zinc/36/57/70/1067365770.db2.gz IBRVLWWGKUSTEF-LJQANCHMSA-N 0 0 458.331 4.856 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1C[C@H](C)Oc2ccc(C)cc21 ZINC001459624837 1067367429 /nfs/dbraw/zinc/36/74/29/1067367429.db2.gz BEJRWZHMPTWHMR-INIZCTEOSA-N 0 0 453.564 4.624 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC2CC2)cc1 ZINC001459626962 1067367928 /nfs/dbraw/zinc/36/79/28/1067367928.db2.gz ABIKXVWOPIYWFS-UHFFFAOYSA-N 0 0 451.972 4.516 20 0 JJADRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1nnnn1-c1ccccc1Br ZINC001459629803 1067368453 /nfs/dbraw/zinc/36/84/53/1067368453.db2.gz TXADSTLLBMPZDO-NSHDSACASA-N 0 0 453.171 4.851 20 0 JJADRN Cc1c(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)nnn1-c1ccc(OC(F)F)cc1 ZINC001459635554 1067369097 /nfs/dbraw/zinc/36/90/97/1067369097.db2.gz VOELZBGJIIMLTC-QGZVFWFLSA-N 0 0 454.399 4.909 20 0 JJADRN Cc1nc(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)sc1Cc1ccc(F)cc1F ZINC001459635381 1067369189 /nfs/dbraw/zinc/36/91/89/1067369189.db2.gz CTZGLCLIUMXVHY-UHFFFAOYSA-N 0 0 450.532 4.593 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)CCO1 ZINC001459635543 1067369440 /nfs/dbraw/zinc/36/94/40/1067369440.db2.gz OGVVDCCLZNXDPP-UXHICEINSA-N 0 0 450.348 4.720 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(Cl)cc1Br ZINC001459637075 1067369713 /nfs/dbraw/zinc/36/97/13/1067369713.db2.gz XXEOUYKGZIWHMK-QGZVFWFLSA-N 0 0 459.167 4.589 20 0 JJADRN Cc1nc(NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)sc1Cc1c(F)cccc1F ZINC001459638104 1067370022 /nfs/dbraw/zinc/37/00/22/1067370022.db2.gz OIDLNTUYCOHVFQ-UHFFFAOYSA-N 0 0 454.502 4.560 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)sc1Cc1ccc(F)cc1F ZINC001459638171 1067370045 /nfs/dbraw/zinc/37/00/45/1067370045.db2.gz PFVAGJDVVXFVRW-SFHVURJKSA-N 0 0 455.530 4.616 20 0 JJADRN Cc1nc(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)sc1Cc1ccc(F)cc1F ZINC001459639113 1067370214 /nfs/dbraw/zinc/37/02/14/1067370214.db2.gz RDRIPZTUZZHCBU-UHFFFAOYSA-N 0 0 459.493 4.768 20 0 JJADRN COCCOCc1cc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)ccc1F ZINC001459639243 1067370352 /nfs/dbraw/zinc/37/03/52/1067370352.db2.gz SBDNENGVLLQUDL-UHFFFAOYSA-N 0 0 450.482 4.875 20 0 JJADRN CCCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)[C@@H](C)C(=O)OCC ZINC001459641913 1067370807 /nfs/dbraw/zinc/37/08/07/1067370807.db2.gz DBYQJSCEKBDINM-HNNXBMFYSA-N 0 0 451.361 4.535 20 0 JJADRN O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1I ZINC001459641337 1067370840 /nfs/dbraw/zinc/37/08/40/1067370840.db2.gz AFUMIIAQCAQRHZ-UHFFFAOYSA-N 0 0 457.764 4.842 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC(C)(C)C)C1 ZINC001546110695 1067370982 /nfs/dbraw/zinc/37/09/82/1067370982.db2.gz JXZKJVORQGEDAR-UHFFFAOYSA-N 0 0 450.631 4.602 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)[C@H]1C[C@]12CCCc1ccccc12 ZINC001459644603 1067371119 /nfs/dbraw/zinc/37/11/19/1067371119.db2.gz PEOKATKUSIZAIY-XLIONFOSSA-N 0 0 451.735 4.855 20 0 JJADRN O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(Cl)cc1I ZINC001459648529 1067371556 /nfs/dbraw/zinc/37/15/56/1067371556.db2.gz ZLICLIRSMRCPEC-UHFFFAOYSA-N 0 0 450.707 4.594 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647986 1067371561 /nfs/dbraw/zinc/37/15/61/1067371561.db2.gz XJOIGFDKSPTZQB-DLBZAZTESA-N 0 0 456.608 4.629 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459650815 1067371835 /nfs/dbraw/zinc/37/18/35/1067371835.db2.gz GTYQKULNPFDQFZ-KOSHJBKYSA-N 0 0 455.551 4.617 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)cnn1-c1ccc(F)cc1 ZINC001459657261 1067373581 /nfs/dbraw/zinc/37/35/81/1067373581.db2.gz BTVHYCMICJHMLE-NRFANRHFSA-N 0 0 458.578 4.948 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C1CCCC1 ZINC001459661408 1067374484 /nfs/dbraw/zinc/37/44/84/1067374484.db2.gz LMUJPNMCDKISQY-KRWDZBQOSA-N 0 0 459.812 4.845 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001459661384 1067374506 /nfs/dbraw/zinc/37/45/06/1067374506.db2.gz LGYGIYOQPCJTBA-DNVCBOLYSA-N 0 0 458.521 4.964 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)CCC2)cc1C ZINC001459661706 1067374821 /nfs/dbraw/zinc/37/48/21/1067374821.db2.gz FLCYZRUUACDHQE-LJQANCHMSA-N 0 0 454.636 4.576 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)c1 ZINC001459662622 1067375136 /nfs/dbraw/zinc/37/51/36/1067375136.db2.gz KZAMGISLLYVDDJ-UHFFFAOYSA-N 0 0 455.356 4.762 20 0 JJADRN CC[C@H](C)N(CC(=O)OC)C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1OC ZINC001459663720 1067375552 /nfs/dbraw/zinc/37/55/52/1067375552.db2.gz HHQQZLJOGVLMID-KRWDZBQOSA-N 0 0 452.551 4.585 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC001459664400 1067375658 /nfs/dbraw/zinc/37/56/58/1067375658.db2.gz SOWNXTQXEARXDV-RTBURBONSA-N 0 0 451.405 4.679 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1)c1cccc(Br)c1 ZINC001459664084 1067375740 /nfs/dbraw/zinc/37/57/40/1067375740.db2.gz OBSFCUSSAIMMNU-MRXNPFEDSA-N 0 0 452.352 4.859 20 0 JJADRN Cc1cc(NC(=O)CN2CCC[C@H]2c2ccccc2Br)n(-c2ccccc2F)n1 ZINC001459668596 1067377717 /nfs/dbraw/zinc/37/77/17/1067377717.db2.gz HVODUGWJYMAIKK-IBGZPJMESA-N 0 0 457.347 4.858 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CCCS(=O)(=O)c2ccccc2)C1 ZINC001546111022 1067378657 /nfs/dbraw/zinc/37/86/57/1067378657.db2.gz WJMYTSIXAYSBMA-UHFFFAOYSA-N 0 0 472.680 4.811 20 0 JJADRN C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001459671678 1067379004 /nfs/dbraw/zinc/37/90/04/1067379004.db2.gz TVZUANPGVZHEHL-BEFAXECRSA-N 0 0 456.414 4.598 20 0 JJADRN COc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001459671965 1067379240 /nfs/dbraw/zinc/37/92/40/1067379240.db2.gz FJOSAUKBADPMGE-OAQYLSRUSA-N 0 0 450.988 4.511 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@H]1CCC(F)(F)C1)Nc1cccc(C(F)(F)F)c1 ZINC001459672388 1067379511 /nfs/dbraw/zinc/37/95/11/1067379511.db2.gz NISQPMIGCFHJKQ-AWEZNQCLSA-N 0 0 456.411 4.888 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001459675286 1067380308 /nfs/dbraw/zinc/38/03/08/1067380308.db2.gz FVVULGHTBJUXHA-AREMUKBSSA-N 0 0 455.602 4.738 20 0 JJADRN CCS(=O)(=O)c1ccc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1 ZINC001459675224 1067380333 /nfs/dbraw/zinc/38/03/33/1067380333.db2.gz HFHPDMZJFXHJRS-UHFFFAOYSA-N 0 0 452.551 4.824 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001546111070 1067380379 /nfs/dbraw/zinc/38/03/79/1067380379.db2.gz YDLKRAMABNTUJL-UHFFFAOYSA-N 0 0 468.646 4.680 20 0 JJADRN O=C(NC1CCCCC1)NC1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC001459677269 1067381154 /nfs/dbraw/zinc/38/11/54/1067381154.db2.gz LJXLORXLADDFOD-UHFFFAOYSA-N 0 0 452.386 4.640 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)n2)CCCCCC1 ZINC001459679733 1067381415 /nfs/dbraw/zinc/38/14/15/1067381415.db2.gz CZZPZLZIQAYURN-HXUWFJFHSA-N 0 0 452.599 4.864 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)C2)n(C)n1 ZINC001459680044 1067381886 /nfs/dbraw/zinc/38/18/86/1067381886.db2.gz WNYFFCPLJBDOOX-FDDCHVKYSA-N 0 0 456.562 4.625 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2ccccc2c1 ZINC001459680420 1067381895 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458.396 4.967 20 0 JJADRN O=C(NC[C@H]1CCCCN1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689830 1067384562 /nfs/dbraw/zinc/38/45/62/1067384562.db2.gz CZOVHJGJOIADIT-LDLUVENISA-N 0 0 454.423 4.777 20 0 JJADRN CCc1ccc(N(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)Cc2ccc(C)s2)cc1 ZINC001459689639 1067384825 /nfs/dbraw/zinc/38/48/25/1067384825.db2.gz OGLVPBNQOOGWCH-UHFFFAOYSA-N 0 0 455.668 4.731 20 0 JJADRN CCCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459690589 1067384908 /nfs/dbraw/zinc/38/49/08/1067384908.db2.gz GXKKSERKNFUUCE-INIZCTEOSA-N 0 0 451.548 4.727 20 0 JJADRN COc1cc(N[C@@H]2CCCN(CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690910 1067385266 /nfs/dbraw/zinc/38/52/66/1067385266.db2.gz BMPFMVGZYXKVOT-HSZRJFAPSA-N 0 0 459.590 4.810 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(OC(F)F)c2)c(Br)c1 ZINC001459692740 1067385602 /nfs/dbraw/zinc/38/56/02/1067385602.db2.gz XFJTUJVJLYVHBN-MRXNPFEDSA-N 0 0 455.299 4.575 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(I)cc1 ZINC001459693827 1067386133 /nfs/dbraw/zinc/38/61/33/1067386133.db2.gz KXWIDCCSACIWDF-AYHJJNSGSA-N 0 0 456.368 4.701 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC001459696713 1067386891 /nfs/dbraw/zinc/38/68/91/1067386891.db2.gz UQLCHKGKRZPNBE-UHFFFAOYSA-N 0 0 455.490 4.930 20 0 JJADRN CCCc1nc(C(=O)N(CCC)[C@@H](C)C(=O)Nc2ccccc2C)nn1-c1ccccc1F ZINC001459697310 1067387000 /nfs/dbraw/zinc/38/70/00/1067387000.db2.gz RMJGUCZVOSQSPL-SFHVURJKSA-N 0 0 451.546 4.547 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC001459699957 1067387703 /nfs/dbraw/zinc/38/77/03/1067387703.db2.gz JJJGRDBJAXXNGT-HUUCEWRRSA-N 0 0 457.368 4.824 20 0 JJADRN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)ccc1I ZINC001459700835 1067387844 /nfs/dbraw/zinc/38/78/44/1067387844.db2.gz LYXNTTQANBOCEN-JKSUJKDBSA-N 0 0 457.258 4.621 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)C2)cc1 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CC(C)c1oc([C@@H]2CCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC001459718187 1067394707 /nfs/dbraw/zinc/39/47/07/1067394707.db2.gz RFIGIZIVHDWHEY-VXKWHMMOSA-N 0 0 454.592 4.739 20 0 JJADRN COc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4C)CC3)cs2)c(OC)c1 ZINC001459717710 1067394839 /nfs/dbraw/zinc/39/48/39/1067394839.db2.gz NKNZWLXIHNXSDZ-UHFFFAOYSA-N 0 0 451.592 4.530 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Br)cc2cccnc21 ZINC001459722277 1067395382 /nfs/dbraw/zinc/39/53/82/1067395382.db2.gz NJLJXNMLDLEMKB-IBGZPJMESA-N 0 0 453.258 4.761 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1=O ZINC001459724096 1067396273 /nfs/dbraw/zinc/39/62/73/1067396273.db2.gz XHCRCPBUWZIPAD-DOTOQJQBSA-N 0 0 452.505 4.870 20 0 JJADRN COC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)sc2c1CCCC2 ZINC001459723811 1067396495 /nfs/dbraw/zinc/39/64/95/1067396495.db2.gz VHHSKXGYFSVABP-QHCPKHFHSA-N 0 0 452.551 4.870 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC001459726036 1067396636 /nfs/dbraw/zinc/39/66/36/1067396636.db2.gz IAKHSBVZPNLQMQ-CYBMUJFWSA-N 0 0 450.295 4.592 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1nnn(-c2ccccc2)c1C(F)F ZINC001459727036 1067397196 /nfs/dbraw/zinc/39/71/96/1067397196.db2.gz DDWULHDEVVFUQH-CYBMUJFWSA-N 0 0 452.292 4.520 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)CCc2ccc(I)cc2)nn1-c1ccccc1 ZINC001459727511 1067397328 /nfs/dbraw/zinc/39/73/28/1067397328.db2.gz RRZLDFWCKKWEBU-OAHLLOKOSA-N 0 0 459.331 4.536 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)nnn1-c1ccccc1Cl ZINC001459727746 1067397386 /nfs/dbraw/zinc/39/73/86/1067397386.db2.gz HVKWJCPIISQTTR-CQSZACIVSA-N 0 0 450.757 4.545 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N[C@H](C)CCc2ccc(I)cc2)cc1 ZINC001459728005 1067397688 /nfs/dbraw/zinc/39/76/88/1067397688.db2.gz UODGGRZLOAVFLB-HZPDHXFCSA-N 0 0 451.348 4.616 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730097 1067398259 /nfs/dbraw/zinc/39/82/59/1067398259.db2.gz KGGWDLKNPXVFND-CYBMUJFWSA-N 0 0 456.306 4.900 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)ccc1Oc1ccncc1 ZINC001459730469 1067398675 /nfs/dbraw/zinc/39/86/75/1067398675.db2.gz UIIZGWCNDIPILE-FQEVSTJZSA-N 0 0 453.951 4.990 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)CCCN(Cc2ccccc2F)c2ccccc2F)cc1 ZINC001459733304 1067398909 /nfs/dbraw/zinc/39/89/09/1067398909.db2.gz VIUUTPZNYPMNNG-UHFFFAOYSA-N 0 0 458.530 4.794 20 0 JJADRN COc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(OCCC(C)C)c1 ZINC001459734445 1067399147 /nfs/dbraw/zinc/39/91/47/1067399147.db2.gz AQMYEMTTZQKYJG-AREMUKBSSA-N 0 0 454.567 4.651 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001459734092 1067399156 /nfs/dbraw/zinc/39/91/56/1067399156.db2.gz AMWCSXYOHKOKQN-IBGZPJMESA-N 0 0 456.537 4.714 20 0 JJADRN CS(=O)(=O)c1cccnc1CNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC001459736545 1067399694 /nfs/dbraw/zinc/39/96/94/1067399694.db2.gz RHRNLTQBEAPTMC-UHFFFAOYSA-N 0 0 451.331 4.514 20 0 JJADRN COC(=O)c1cc(F)cc(NC(=O)c2cnc(-c3ccccc3Br)s2)c1F ZINC001459736382 1067399763 /nfs/dbraw/zinc/39/97/63/1067399763.db2.gz PXSCDTMVOUWGOZ-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)ccc1Cl)C(C)C ZINC001459736651 1067399791 /nfs/dbraw/zinc/39/97/91/1067399791.db2.gz SBKCODQVHYFPFI-UUKMXZOPSA-N 0 0 451.007 4.903 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)ccc1Cl)C(C)C ZINC001459736630 1067399904 /nfs/dbraw/zinc/39/99/04/1067399904.db2.gz RPJCGFRKJREOSU-UHFFFAOYSA-N 0 0 457.379 4.520 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C)c(-c2cnn(C)c2)c1)C1CC1 ZINC001459737460 1067400068 /nfs/dbraw/zinc/40/00/68/1067400068.db2.gz AKSAYPOQQQIQLT-QHCPKHFHSA-N 0 0 451.954 4.958 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](N(C)Cc3nc(C)c(-c4ccc(Cl)cc4)o3)C2=O)c1 ZINC001459738328 1067400413 /nfs/dbraw/zinc/40/04/13/1067400413.db2.gz XMSNGMKEBRYZFV-NRFANRHFSA-N 0 0 455.942 4.558 20 0 JJADRN C[C@@]1(NC(=O)c2cc3ccccc3cc2OC(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739637 1067400921 /nfs/dbraw/zinc/40/09/21/1067400921.db2.gz YOXPVXFWVPEYOR-RUZDIDTESA-N 0 0 454.473 4.972 20 0 JJADRN Cc1noc(C)c1N(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001459740601 1067401531 /nfs/dbraw/zinc/40/15/31/1067401531.db2.gz KDEWLFWSOVUWOS-FQEVSTJZSA-N 0 0 457.456 4.529 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cc3nccc(C(F)(F)F)n3n2)c(Cl)c1 ZINC001459741764 1067402000 /nfs/dbraw/zinc/40/20/00/1067402000.db2.gz NZLLMOWZBMUZIY-UHFFFAOYSA-N 0 0 456.808 4.968 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC)C1CC1 ZINC001459744034 1067403052 /nfs/dbraw/zinc/40/30/52/1067403052.db2.gz SECKNSDANXHVGE-WPYKKVEZSA-N 0 0 457.954 4.756 20 0 JJADRN O=S(=O)(CCN(c1ccccc1)C1Cc2ccccc2C1)c1cccc(Br)c1 ZINC001459744908 1067403303 /nfs/dbraw/zinc/40/33/03/1067403303.db2.gz TXRCWCCOKLQUAD-UHFFFAOYSA-N 0 0 456.405 4.897 20 0 JJADRN Cc1cc(CN(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cs1 ZINC001459745372 1067403458 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453.336 4.764 20 0 JJADRN Cc1cc(Br)cc2c1N(C[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCC2 ZINC001459755796 1067408498 /nfs/dbraw/zinc/40/84/98/1067408498.db2.gz WRSQFVVABXRXIA-SFHVURJKSA-N 0 0 451.405 4.679 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1Oc1ccncc1 ZINC001459756941 1067409338 /nfs/dbraw/zinc/40/93/38/1067409338.db2.gz RYPOQPSKYUNRQT-JOCHJYFZSA-N 0 0 459.546 4.961 20 0 JJADRN O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1scc(Br)c1Br ZINC001459757433 1067409480 /nfs/dbraw/zinc/40/94/80/1067409480.db2.gz IHLIYFUQVZPDPY-QUBYGPBYSA-N 0 0 452.086 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)OCc1ccn(-c2ccc(F)cc2F)n1 ZINC001459758387 1067410283 /nfs/dbraw/zinc/41/02/83/1067410283.db2.gz PFEMOEYYFSZIDN-NSHDSACASA-N 0 0 455.230 4.563 20 0 JJADRN Cc1ccc(C2(C(=O)Nc3ccc4c(c3)OCC(=O)N4C)CCCCC2)c(Br)c1 ZINC001459760269 1067411433 /nfs/dbraw/zinc/41/14/33/1067411433.db2.gz TVSLKLDIKDZAGQ-UHFFFAOYSA-N 0 0 457.368 4.953 20 0 JJADRN CCSc1ccc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)c(Br)c1 ZINC001459761040 1067411800 /nfs/dbraw/zinc/41/18/00/1067411800.db2.gz RFYKGXYVSJQLLA-UHFFFAOYSA-N 0 0 455.368 4.731 20 0 JJADRN Cn1c(SCC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)nnc1-c1cccs1 ZINC001459767054 1067414480 /nfs/dbraw/zinc/41/44/80/1067414480.db2.gz VBGDTWZHAGYXJV-UHFFFAOYSA-N 0 0 458.609 4.549 20 0 JJADRN COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001459773296 1067416056 /nfs/dbraw/zinc/41/60/56/1067416056.db2.gz HHMFDBYCTHNERJ-IBGZPJMESA-N 0 0 458.521 4.889 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)OCc3ccc(OC(F)(F)F)cc3Cl)cnc21 ZINC001459774443 1067416692 /nfs/dbraw/zinc/41/66/92/1067416692.db2.gz HFWVTPGYVMRFHM-UHFFFAOYSA-N 0 0 453.726 4.896 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC001459774687 1067416758 /nfs/dbraw/zinc/41/67/58/1067416758.db2.gz JUKLTIHLQXEFRB-UONOGXRCSA-N 0 0 452.311 4.685 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001459778101 1067417175 /nfs/dbraw/zinc/41/71/75/1067417175.db2.gz OOESHUDZFHFTPX-UHFFFAOYSA-N 0 0 459.035 4.664 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777749 1067417235 /nfs/dbraw/zinc/41/72/35/1067417235.db2.gz GYYPJIZALHYMTM-OAQYLSRUSA-N 0 0 459.656 4.934 20 0 JJADRN CC[C@@H]1C[C@H](C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)CCO1 ZINC001459781764 1067418724 /nfs/dbraw/zinc/41/87/24/1067418724.db2.gz ACJLSPOEQRMNKB-YVWKXTFCSA-N 0 0 456.446 4.757 20 0 JJADRN C[C@@H](NC(=O)CN1CCCc2cc(Br)ccc21)c1ccc(OC(F)(F)F)cc1 ZINC001459781519 1067418742 /nfs/dbraw/zinc/41/87/42/1067418742.db2.gz BQODNJKOWVSPMF-CYBMUJFWSA-N 0 0 457.290 4.978 20 0 JJADRN FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CN1CCc2cc(Br)ccc21 ZINC001459783197 1067419938 /nfs/dbraw/zinc/41/99/38/1067419938.db2.gz CFWFAYMJKCJECY-UHFFFAOYSA-N 0 0 458.669 4.660 20 0 JJADRN CCc1c(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)cnn1-c1ccc(Cl)cc1 ZINC001459783123 1067419940 /nfs/dbraw/zinc/41/99/40/1067419940.db2.gz NJIOMVJQMOEUDW-UHFFFAOYSA-N 0 0 459.937 4.917 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@H]3CSc4ccc(Br)cc43)CC2=O)cc1 ZINC001459783147 1067419958 /nfs/dbraw/zinc/41/99/58/1067419958.db2.gz XIWCTNIYWVXMIV-KXBFYZLASA-N 0 0 459.409 4.718 20 0 JJADRN O=C(COc1ccc(F)c(Cl)c1)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC001459783798 1067420490 /nfs/dbraw/zinc/42/04/90/1067420490.db2.gz TZYKKINLNYAQIO-UHFFFAOYSA-N 0 0 453.651 4.808 20 0 JJADRN CCCN1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c2cc(F)ccc21 ZINC001459790229 1067423284 /nfs/dbraw/zinc/42/32/84/1067423284.db2.gz XXKCWBBGYZIDII-HXUWFJFHSA-N 0 0 459.537 4.836 20 0 JJADRN COCCOC1CCC(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)CC1 ZINC001459789892 1067423382 /nfs/dbraw/zinc/42/33/82/1067423382.db2.gz ALFCVFHZXQYHNR-UHFFFAOYSA-N 0 0 458.624 4.747 20 0 JJADRN CCCN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c2cc(F)ccc21 ZINC001459790163 1067423421 /nfs/dbraw/zinc/42/34/21/1067423421.db2.gz XXKCWBBGYZIDII-FQEVSTJZSA-N 0 0 459.537 4.836 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)Cc2ccc(F)cc2Br)cc1 ZINC001459791219 1067423967 /nfs/dbraw/zinc/42/39/67/1067423967.db2.gz JPFLFZYAULPNJZ-AWEZNQCLSA-N 0 0 453.377 4.615 20 0 JJADRN COC(=O)c1ccc(OC)c(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001459793089 1067425993 /nfs/dbraw/zinc/42/59/93/1067425993.db2.gz HDUXUHLJCULROT-LJQANCHMSA-N 0 0 451.350 4.782 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccncc1Oc1ccccc1 ZINC001459793214 1067426056 /nfs/dbraw/zinc/42/60/56/1067426056.db2.gz TZRGLCHKNHNASB-UHFFFAOYSA-N 0 0 451.280 4.616 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459794759 1067426719 /nfs/dbraw/zinc/42/67/19/1067426719.db2.gz CPFLPNSCYHLFOO-GOSISDBHSA-N 0 0 457.290 4.504 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798448 1067428562 /nfs/dbraw/zinc/42/85/62/1067428562.db2.gz RPOSUWCSXKTAGW-NSYGIPOTSA-N 0 0 453.970 4.699 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 ZINC001459799530 1067429231 /nfs/dbraw/zinc/42/92/31/1067429231.db2.gz XKMZXMFZOCOWKS-CFJPQMKISA-N 0 0 459.826 4.837 20 0 JJADRN Cc1ccc(Br)c(OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1F ZINC001459800427 1067429622 /nfs/dbraw/zinc/42/96/22/1067429622.db2.gz CRIOAKQECKECRP-UHFFFAOYSA-N 0 0 453.285 4.683 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)=NN1c1ccccc1 ZINC001459802586 1067430202 /nfs/dbraw/zinc/43/02/02/1067430202.db2.gz SNXLDHHXHJXLCU-LJQANCHMSA-N 0 0 458.465 4.991 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459804269 1067430663 /nfs/dbraw/zinc/43/06/63/1067430663.db2.gz AMBADZHPQFHANO-AWEZNQCLSA-N 0 0 459.306 4.656 20 0 JJADRN Cc1cccc(N(CCC(N)=O)C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c1 ZINC001459804521 1067430674 /nfs/dbraw/zinc/43/06/74/1067430674.db2.gz VVKXXNMXRAWFNI-QHCPKHFHSA-N 0 0 453.380 4.840 20 0 JJADRN CCOC(=O)CN(Cc1cc(C(=O)OC)ccc1F)[C@H](C)c1cccc(Br)c1 ZINC001459807263 1067431555 /nfs/dbraw/zinc/43/15/55/1067431555.db2.gz WYMGWQFRLAPTSJ-CQSZACIVSA-N 0 0 452.320 4.501 20 0 JJADRN CN(CC(=O)N(C)c1nc2cc(Cl)ccc2s1)C(=O)c1ccc(Br)s1 ZINC001459808703 1067432269 /nfs/dbraw/zinc/43/22/69/1067432269.db2.gz DIJKVJUADGGXGH-UHFFFAOYSA-N 0 0 458.790 4.509 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)c(=O)n1C ZINC001459810559 1067432786 /nfs/dbraw/zinc/43/27/86/1067432786.db2.gz PJYBYWRFYOWTNB-UHFFFAOYSA-N 0 0 450.457 4.933 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)Cc1cc(Br)cn1C ZINC001459811017 1067433378 /nfs/dbraw/zinc/43/33/78/1067433378.db2.gz XAHUUEHICNDTTM-JTQLQIEISA-N 0 0 452.702 4.919 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812378 1067433901 /nfs/dbraw/zinc/43/39/01/1067433901.db2.gz GSNPXTQRSOBZOH-RPWUZVMVSA-N 0 0 456.995 4.727 20 0 JJADRN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459812908 1067434429 /nfs/dbraw/zinc/43/44/29/1067434429.db2.gz SPUGWIDDVJOQMQ-JOYOIKCWSA-N 0 0 450.280 4.796 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817426 1067436474 /nfs/dbraw/zinc/43/64/74/1067436474.db2.gz CSMQMUWNBXRBHM-UTKZUKDTSA-N 0 0 451.508 4.840 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C1 ZINC001546112087 1067438849 /nfs/dbraw/zinc/43/88/49/1067438849.db2.gz CICRFHFOWMSWLN-UHFFFAOYSA-N 0 0 457.022 4.893 20 0 JJADRN COc1cc([C@@H](NCc2nc(C)c(Br)s2)C(F)(F)F)cc(OC)c1OC ZINC001459822060 1067439204 /nfs/dbraw/zinc/43/92/04/1067439204.db2.gz YYSKHDXZADYWKP-CQSZACIVSA-N 0 0 455.296 4.633 20 0 JJADRN Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccc(-n3cc(Br)cn3)nn2)o1 ZINC001459823166 1067439727 /nfs/dbraw/zinc/43/97/27/1067439727.db2.gz XCJHUSSWANRRSQ-UHFFFAOYSA-N 0 0 458.703 4.899 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)NCCCCn3cc(Br)cn3)c2)c1 ZINC001459823355 1067440224 /nfs/dbraw/zinc/44/02/24/1067440224.db2.gz COCRFIGWTVSJCF-UHFFFAOYSA-N 0 0 456.384 4.672 20 0 JJADRN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1OC(F)F ZINC001459823950 1067440228 /nfs/dbraw/zinc/44/02/28/1067440228.db2.gz FPGYNQNIZZFWFU-KGLIPLIRSA-N 0 0 451.901 4.746 20 0 JJADRN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001459825605 1067440728 /nfs/dbraw/zinc/44/07/28/1067440728.db2.gz RVYQRNOEDJUOTO-UONOGXRCSA-N 0 0 451.901 4.746 20 0 JJADRN COC(=O)C(C)(C)[C@H](NCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 ZINC001459824903 1067440754 /nfs/dbraw/zinc/44/07/54/1067440754.db2.gz HPOUGIPUKOEBQS-HSZRJFAPSA-N 0 0 451.592 4.663 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N1CCc2cc(Br)cc(F)c2C1 ZINC001459826057 1067441339 /nfs/dbraw/zinc/44/13/39/1067441339.db2.gz QBTLKIKKJNVPAO-KRWDZBQOSA-N 0 0 457.137 4.623 20 0 JJADRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001459827387 1067441767 /nfs/dbraw/zinc/44/17/67/1067441767.db2.gz PPRIXZJPHDLIDW-GOSISDBHSA-N 0 0 452.580 4.589 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3cc4ccccc4nc3Br)c(C)c12 ZINC001459829954 1067443315 /nfs/dbraw/zinc/44/33/15/1067443315.db2.gz RIDCRGMGTBVWIL-UHFFFAOYSA-N 0 0 452.356 4.776 20 0 JJADRN COc1ncc(/C=C/C(=O)Nc2sc(Br)cc2C(=O)c2ccc(C)cc2)cn1 ZINC001459830991 1067443627 /nfs/dbraw/zinc/44/36/27/1067443627.db2.gz AUSMIUSZPYFKGY-VMPITWQZSA-N 0 0 458.337 4.501 20 0 JJADRN COc1ncc(/C=C\C(=O)Nc2sc(Br)cc2C(=O)c2ccc(C)cc2)cn1 ZINC001459830992 1067443778 /nfs/dbraw/zinc/44/37/78/1067443778.db2.gz AUSMIUSZPYFKGY-YVMONPNESA-N 0 0 458.337 4.501 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001459832824 1067444847 /nfs/dbraw/zinc/44/48/47/1067444847.db2.gz NGDDSNMCRUNYRJ-UHFFFAOYSA-N 0 0 451.372 4.550 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC001459833045 1067444853 /nfs/dbraw/zinc/44/48/53/1067444853.db2.gz MPLBNXCVOHQSNX-UHFFFAOYSA-N 0 0 453.739 4.570 20 0 JJADRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001459835859 1067446486 /nfs/dbraw/zinc/44/64/86/1067446486.db2.gz XZROAZQVXGNICZ-LLVKDONJSA-N 0 0 457.763 4.639 20 0 JJADRN Cc1noc(C(C)C)c1C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001459835935 1067446516 /nfs/dbraw/zinc/44/65/16/1067446516.db2.gz YXYDTGQNLORQBA-UHFFFAOYSA-N 0 0 459.344 4.939 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001459840649 1067448104 /nfs/dbraw/zinc/44/81/04/1067448104.db2.gz MOIZSSLKIZYVRG-MRXNPFEDSA-N 0 0 456.167 4.990 20 0 JJADRN CCn1c(CNC(=O)[C@@H](C)Cc2cncc3ccccc32)nc2cc(Br)ccc21 ZINC001459840348 1067448182 /nfs/dbraw/zinc/44/81/82/1067448182.db2.gz JTLKUYWKAOPKJT-HNNXBMFYSA-N 0 0 451.368 4.862 20 0 JJADRN CN(Cc1cc(F)cc(F)c1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC001459840053 1067448222 /nfs/dbraw/zinc/44/82/22/1067448222.db2.gz GUDZRJZJTFDNFY-UHFFFAOYSA-N 0 0 454.502 4.615 20 0 JJADRN CCn1c(CNC(=O)CCc2ccc(OC(F)F)cc2)nc2cc(Br)ccc21 ZINC001459841934 1067448677 /nfs/dbraw/zinc/44/86/77/1067448677.db2.gz QFOFKGAKTMXKNS-UHFFFAOYSA-N 0 0 452.299 4.669 20 0 JJADRN C[C@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459842034 1067449137 /nfs/dbraw/zinc/44/91/37/1067449137.db2.gz SXIVAIFXSCKKSX-KRWDZBQOSA-N 0 0 457.559 4.894 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842476 1067449651 /nfs/dbraw/zinc/44/96/51/1067449651.db2.gz UIZKWFQWUXIRPL-AWEZNQCLSA-N 0 0 459.612 4.733 20 0 JJADRN Cc1cc(I)cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC001459844964 1067451129 /nfs/dbraw/zinc/45/11/29/1067451129.db2.gz WUOUNHSLGGLMKF-UHFFFAOYSA-N 0 0 453.295 4.560 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)C1 ZINC001546112216 1067451363 /nfs/dbraw/zinc/45/13/63/1067451363.db2.gz IRPVRHZVQIZBDY-XMMPIXPASA-N 0 0 470.639 4.851 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2ccccc2-n2ccc(C3CC3)n2)c1C ZINC001459846512 1067452064 /nfs/dbraw/zinc/45/20/64/1067452064.db2.gz WOPJTQYGZJPMMR-UHFFFAOYSA-N 0 0 454.324 4.860 20 0 JJADRN COC(=O)[C@@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)c1cccc(Br)c1 ZINC001459848556 1067454055 /nfs/dbraw/zinc/45/40/55/1067454055.db2.gz RVZJWNPLGODRSV-ZHRRBRCNSA-N 0 0 455.352 4.988 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1cccc(F)c1Br ZINC001459851110 1067456226 /nfs/dbraw/zinc/45/62/26/1067456226.db2.gz TVFQJPLTMUOYNU-UHFFFAOYSA-N 0 0 451.155 4.701 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001459851523 1067456723 /nfs/dbraw/zinc/45/67/23/1067456723.db2.gz XHMDPLUKBSTAOR-UHFFFAOYSA-N 0 0 457.296 4.733 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)n2)CCCCCC1 ZINC001459852933 1067457199 /nfs/dbraw/zinc/45/71/99/1067457199.db2.gz AWBIJVCLFHKHJF-FCHUYYIVSA-N 0 0 452.599 4.530 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1Br ZINC001459852321 1067457209 /nfs/dbraw/zinc/45/72/09/1067457209.db2.gz PNQQIXXVKBMMOA-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001459855770 1067459324 /nfs/dbraw/zinc/45/93/24/1067459324.db2.gz DZIBFLNNFUFSOI-CQSZACIVSA-N 0 0 450.438 4.658 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC001459857745 1067460279 /nfs/dbraw/zinc/46/02/79/1067460279.db2.gz XTMVLZLNJZHXOR-JOCHJYFZSA-N 0 0 451.567 4.720 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001459858501 1067460361 /nfs/dbraw/zinc/46/03/61/1067460361.db2.gz XVSIJLAAGWEGOI-FGTMMUONSA-N 0 0 457.983 4.768 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001459858508 1067460368 /nfs/dbraw/zinc/46/03/68/1067460368.db2.gz XVSIJLAAGWEGOI-OKZBNKHCSA-N 0 0 457.983 4.768 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001459857778 1067460406 /nfs/dbraw/zinc/46/04/06/1067460406.db2.gz YFNVLUWEHSCNNZ-KRWDZBQOSA-N 0 0 450.004 4.866 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2=O)ccc1Br ZINC001459859150 1067460824 /nfs/dbraw/zinc/46/08/24/1067460824.db2.gz SFHIVQLXMIEEMC-ZCNNSNEGSA-N 0 0 455.396 4.953 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC001459859665 1067460863 /nfs/dbraw/zinc/46/08/63/1067460863.db2.gz UOFFPJYAXMRCLT-XDHUDOTRSA-N 0 0 457.530 4.797 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001459860876 1067461417 /nfs/dbraw/zinc/46/14/17/1067461417.db2.gz YEKAMJZGFXCROH-INIZCTEOSA-N 0 0 456.530 4.576 20 0 JJADRN Cc1ccc([C@@H](CN2CCOCC2)NCc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001459860935 1067461444 /nfs/dbraw/zinc/46/14/44/1067461444.db2.gz FKNSHUIMPYKGFU-OAQYLSRUSA-N 0 0 456.384 4.576 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(F)F)C1 ZINC001546112336 1067461797 /nfs/dbraw/zinc/46/17/97/1067461797.db2.gz NLWRXFIHKXMHBI-UHFFFAOYSA-N 0 0 489.592 4.936 20 0 JJADRN CC(=O)N1c2ccccc2C[C@H]1C(=O)O[C@@H](c1ccc(Br)c(C)c1)C(F)(F)F ZINC001459864366 1067462965 /nfs/dbraw/zinc/46/29/65/1067462965.db2.gz OKUOQNJKSHUTNG-ROUUACIJSA-N 0 0 456.258 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC001459868789 1067465846 /nfs/dbraw/zinc/46/58/46/1067465846.db2.gz ZHFURVRUJBZSHT-MZKRTTBSSA-N 0 0 459.606 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC001459868793 1067465887 /nfs/dbraw/zinc/46/58/87/1067465887.db2.gz ZHFURVRUJBZSHT-SXWKCWPCSA-N 0 0 459.606 4.680 20 0 JJADRN COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)cc2)c(I)c1 ZINC001459869013 1067466156 /nfs/dbraw/zinc/46/61/56/1067466156.db2.gz ILNWLJVILKOQIS-UHFFFAOYSA-N 0 0 450.320 4.788 20 0 JJADRN O=C(O[C@@H]1CCOc2c(F)cc(F)cc21)c1cc(Cl)ccc1I ZINC001459870141 1067466815 /nfs/dbraw/zinc/46/68/15/1067466815.db2.gz QGZVPDXSFNOSNW-CQSZACIVSA-N 0 0 450.606 4.903 20 0 JJADRN O=C1[C@@H](N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001459873491 1067468333 /nfs/dbraw/zinc/46/83/33/1067468333.db2.gz CHYCBVRLDQEBIM-OALUTQOASA-N 0 0 457.304 4.774 20 0 JJADRN Cc1cc(C)c(N2CC[C@H](N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)C2=O)c(C)c1 ZINC001459876555 1067469837 /nfs/dbraw/zinc/46/98/37/1067469837.db2.gz OXLNWFNARNDQAH-QFIPXVFZSA-N 0 0 455.002 4.529 20 0 JJADRN CC(C)c1ccc(CN(C(=O)CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)C2CC2)cc1 ZINC001459877611 1067469862 /nfs/dbraw/zinc/46/98/62/1067469862.db2.gz UKKZIARUSMTTND-DEOSSOPVSA-N 0 0 458.549 4.976 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1OC ZINC001459876689 1067469900 /nfs/dbraw/zinc/46/99/00/1067469900.db2.gz LVCRMOXCIVMVAP-ZRGWGRIASA-N 0 0 454.995 4.901 20 0 JJADRN Cc1nc(N2CCN(CC(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)CC2)sc1C ZINC001459878579 1067470294 /nfs/dbraw/zinc/47/02/94/1067470294.db2.gz ZOLPVUYNPGUGIO-UHFFFAOYSA-N 0 0 455.653 4.768 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]3C)c2)c(C)c1 ZINC001459880494 1067471309 /nfs/dbraw/zinc/47/13/09/1067471309.db2.gz USKWRCSSSOZENC-JTUHZDRVSA-N 0 0 453.583 4.829 20 0 JJADRN COC1(CNC(=O)CSc2nncn2-c2ccc(C)cc2)CCC(c2ccccc2)CC1 ZINC001459882754 1067472298 /nfs/dbraw/zinc/47/22/98/1067472298.db2.gz UGRVFKDKZQTSMQ-UHFFFAOYSA-N 0 0 450.608 4.527 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001546112489 1067472707 /nfs/dbraw/zinc/47/27/07/1067472707.db2.gz UBRONDOKWSYJJW-KRWDZBQOSA-N 0 0 483.103 4.675 20 0 JJADRN CCOc1ccc(CN(CCCn2ccnc2)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC001459886746 1067473014 /nfs/dbraw/zinc/47/30/14/1067473014.db2.gz PDCIHGDDHCGICA-UHFFFAOYSA-N 0 0 450.612 4.578 20 0 JJADRN Cc1cc(NC(=O)CN[C@@H](COCc2ccccc2)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001459885507 1067473052 /nfs/dbraw/zinc/47/30/52/1067473052.db2.gz OTHYHBBZFQUCQM-VWLOTQADSA-N 0 0 458.537 4.806 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@H]2C(C)C)C1 ZINC001546112515 1067473208 /nfs/dbraw/zinc/47/32/08/1067473208.db2.gz UUDMCHFKSZHALM-YKSBVNFPSA-N 0 0 456.631 4.943 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)CC(F)(F)C(F)(F)F)sc2c1CC[C@H](C)C2 ZINC001459888330 1067474111 /nfs/dbraw/zinc/47/41/11/1067474111.db2.gz YUXZLOOKDBBSKN-QWRGUYRKSA-N 0 0 456.477 4.506 20 0 JJADRN CC(=O)N(c1nc(CN[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cs1)c1ccc(C)cc1 ZINC001459888174 1067474120 /nfs/dbraw/zinc/47/41/20/1067474120.db2.gz DTSLOFZSTRLQIE-LJQANCHMSA-N 0 0 451.518 4.880 20 0 JJADRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC001459888575 1067474186 /nfs/dbraw/zinc/47/41/86/1067474186.db2.gz JWTKPGGXEINWEO-OAQYLSRUSA-N 0 0 459.516 4.834 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC001459889435 1067474686 /nfs/dbraw/zinc/47/46/86/1067474686.db2.gz WRBBTXFEUXLTSF-DYESRHJHSA-N 0 0 461.896 4.520 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001459890852 1067475289 /nfs/dbraw/zinc/47/52/89/1067475289.db2.gz RFZJIFRSBQJVSZ-LBPRGKRZSA-N 0 0 454.193 4.709 20 0 JJADRN CCCc1nc(C(=O)Nc2cc(Cl)cnc2Br)nn1-c1ccccc1Cl ZINC001459892020 1067475638 /nfs/dbraw/zinc/47/56/38/1067475638.db2.gz UXRBMJCENCZTEM-UHFFFAOYSA-N 0 0 455.143 4.936 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)s1 ZINC001459893836 1067476669 /nfs/dbraw/zinc/47/66/69/1067476669.db2.gz DYSLTGXXPMRQJP-NWDGAFQWSA-N 0 0 457.987 4.573 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)s1 ZINC001459896684 1067478354 /nfs/dbraw/zinc/47/83/54/1067478354.db2.gz NTPFUZPCFQXHBX-RYUDHWBXSA-N 0 0 455.411 4.609 20 0 JJADRN CCc1nc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)nn1-c1c(Cl)cccc1Cl ZINC001459896483 1067478375 /nfs/dbraw/zinc/47/83/75/1067478375.db2.gz XSOUHQQDEBGDIZ-UHFFFAOYSA-N 0 0 457.317 4.828 20 0 JJADRN C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(C(F)(F)F)nc1 ZINC001459899728 1067479258 /nfs/dbraw/zinc/47/92/58/1067479258.db2.gz PIAHUDZNXPUURE-XOBRGWDASA-N 0 0 456.420 4.961 20 0 JJADRN Cc1cc(I)cc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC001459903208 1067481380 /nfs/dbraw/zinc/48/13/80/1067481380.db2.gz UJOTUJMKWWRDCG-UHFFFAOYSA-N 0 0 458.299 4.755 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN[C@H](C)c2cnn(C(C)C)c2)c(Br)c1 ZINC001459903435 1067481481 /nfs/dbraw/zinc/48/14/81/1067481481.db2.gz TYJAARWXWSYXBE-GFCCVEGCSA-N 0 0 458.198 4.587 20 0 JJADRN CCC1(CC)CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2C(C)C)C1 ZINC001546112607 1067481793 /nfs/dbraw/zinc/48/17/93/1067481793.db2.gz XYSKVHSPDUWSEG-UHFFFAOYSA-N 0 0 453.631 4.619 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cc(C)cc(I)c1 ZINC001459904485 1067481798 /nfs/dbraw/zinc/48/17/98/1067481798.db2.gz ZHBUJFJIYSDXQB-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N[C@@H]3CCOC3)c(F)c2)cc1C ZINC001459906024 1067483067 /nfs/dbraw/zinc/48/30/67/1067483067.db2.gz KAVIGVGXSCOTON-YADHBBJMSA-N 0 0 454.542 4.619 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Oc2ccc(SC(F)(F)F)cc2)cc1Br ZINC001459907367 1067483608 /nfs/dbraw/zinc/48/36/08/1067483608.db2.gz BMCOTINEXAAQCL-UHFFFAOYSA-N 0 0 455.273 4.684 20 0 JJADRN Cc1sc([C@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001459909682 1067485083 /nfs/dbraw/zinc/48/50/83/1067485083.db2.gz LRQHKQICZQVBGD-AWEZNQCLSA-N 0 0 450.029 4.873 20 0 JJADRN C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459910722 1067485862 /nfs/dbraw/zinc/48/58/62/1067485862.db2.gz NTKQVWRGXGIENL-KBPBESRZSA-N 0 0 455.385 4.960 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001459911032 1067486346 /nfs/dbraw/zinc/48/63/46/1067486346.db2.gz FIXZYVXODPMAKD-HOTGVXAUSA-N 0 0 455.393 4.512 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001459911048 1067486352 /nfs/dbraw/zinc/48/63/52/1067486352.db2.gz FIXZYVXODPMAKD-JKSUJKDBSA-N 0 0 455.393 4.512 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)c2)c1 ZINC001459911586 1067486740 /nfs/dbraw/zinc/48/67/40/1067486740.db2.gz RTWZVDRUPYACRE-UHFFFAOYSA-N 0 0 451.954 4.590 20 0 JJADRN COc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1C ZINC001459915794 1067488918 /nfs/dbraw/zinc/48/89/18/1067488918.db2.gz URUFTFOZNBCDRG-UHFFFAOYSA-N 0 0 459.384 4.874 20 0 JJADRN Cc1c(Br)ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1F ZINC001459917709 1067489888 /nfs/dbraw/zinc/48/98/88/1067489888.db2.gz FXHZRNQISUYHNI-INIZCTEOSA-N 0 0 455.368 4.760 20 0 JJADRN O=C(NCCn1cc(Br)cn1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001459917776 1067489948 /nfs/dbraw/zinc/48/99/48/1067489948.db2.gz HDEFRTSTVQXPOI-UHFFFAOYSA-N 0 0 455.287 4.537 20 0 JJADRN O=C(OC[C@H]1CCCCN1C(=O)c1cc2sc(Br)cc2s1)N1CCCC1 ZINC001459917053 1067490036 /nfs/dbraw/zinc/49/00/36/1067490036.db2.gz BEARYKAELRSVRI-GFCCVEGCSA-N 0 0 457.415 4.952 20 0 JJADRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459918163 1067490342 /nfs/dbraw/zinc/49/03/42/1067490342.db2.gz BAYPNHBEKMFMPQ-QFIPXVFZSA-N 0 0 457.615 4.508 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2nc(Br)ccc2Br)cc1 ZINC001459919454 1067490733 /nfs/dbraw/zinc/49/07/33/1067490733.db2.gz HGBYVTALHPBZJI-LBPRGKRZSA-N 0 0 456.178 4.927 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)c(Cl)ccc2C)c1cccc(Br)c1 ZINC001459920613 1067491730 /nfs/dbraw/zinc/49/17/30/1067491730.db2.gz PPVARSOZUHAQHY-OAHLLOKOSA-N 0 0 452.761 4.837 20 0 JJADRN CC[C@H](NCC(=O)Nc1c(F)cc(F)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001459920972 1067491803 /nfs/dbraw/zinc/49/18/03/1067491803.db2.gz HNZFKZKGXNJLLR-JTQLQIEISA-N 0 0 458.250 4.882 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1OCC ZINC001459921145 1067491816 /nfs/dbraw/zinc/49/18/16/1067491816.db2.gz PCPMXOOMPNJNMP-GOSISDBHSA-N 0 0 452.979 4.755 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459922033 1067492733 /nfs/dbraw/zinc/49/27/33/1067492733.db2.gz OHNITNSGGIJIPO-KRWDZBQOSA-N 0 0 455.368 4.760 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)c2)c1 ZINC001459924259 1067493774 /nfs/dbraw/zinc/49/37/74/1067493774.db2.gz VUWXOFXLXCXIIZ-XMMPIXPASA-N 0 0 450.579 4.730 20 0 JJADRN O=C(CCc1cccc(OCc2ccccc2)c1)N1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001459924185 1067493827 /nfs/dbraw/zinc/49/38/27/1067493827.db2.gz VLQHHPQMDTZEFR-DEOSSOPVSA-N 0 0 450.579 4.812 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001459925037 1067493855 /nfs/dbraw/zinc/49/38/55/1067493855.db2.gz ODFBFEDUYGVXAA-IERDGZPVSA-N 0 0 450.501 4.761 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001459925651 1067494391 /nfs/dbraw/zinc/49/43/91/1067494391.db2.gz PYPKRQCOMUKRKV-HNNXBMFYSA-N 0 0 451.489 4.828 20 0 JJADRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001459926011 1067494931 /nfs/dbraw/zinc/49/49/31/1067494931.db2.gz WHBSZZPRSAZDER-AWEZNQCLSA-N 0 0 456.395 4.739 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459927099 1067494961 /nfs/dbraw/zinc/49/49/61/1067494961.db2.gz ZCHVUHNWBLMSME-IBGZPJMESA-N 0 0 458.990 4.697 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001459934477 1067497963 /nfs/dbraw/zinc/49/79/63/1067497963.db2.gz RPVRJYVSDHFAMC-GOSISDBHSA-N 0 0 458.274 4.828 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCc2c(cccc2OC)C1 ZINC001459934720 1067498089 /nfs/dbraw/zinc/49/80/89/1067498089.db2.gz PRVRTXFTURSFCR-UHFFFAOYSA-N 0 0 450.560 4.597 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 ZINC001459939413 1067500234 /nfs/dbraw/zinc/50/02/34/1067500234.db2.gz YEQNAEDIEXHSRK-ZIAGYGMSSA-N 0 0 459.310 4.637 20 0 JJADRN COCc1cnc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)s1 ZINC001459942581 1067500931 /nfs/dbraw/zinc/50/09/31/1067500931.db2.gz LKBMGKSEUXQKOG-UHFFFAOYSA-N 0 0 458.590 4.539 20 0 JJADRN C[C@@]1(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1(Br)Br ZINC001459943742 1067501515 /nfs/dbraw/zinc/50/15/15/1067501515.db2.gz UGMCZPGINMSSBU-SFHVURJKSA-N 0 0 453.174 4.778 20 0 JJADRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001459947024 1067502544 /nfs/dbraw/zinc/50/25/44/1067502544.db2.gz MXHOQJPCIKHCHT-FZKQIMNGSA-N 0 0 458.274 4.820 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CCN(c4ccccc4F)C3)c2)c1 ZINC001459947508 1067502572 /nfs/dbraw/zinc/50/25/72/1067502572.db2.gz RVJYUASYVPVLMO-IBGZPJMESA-N 0 0 450.510 4.778 20 0 JJADRN O=C(c1ccc2c(Br)cnn2c1)N1CCc2cc(Cl)cc(Br)c21 ZINC001459950815 1067504322 /nfs/dbraw/zinc/50/43/22/1067504322.db2.gz KCDRAQVJTSQJLK-UHFFFAOYSA-N 0 0 455.537 4.716 20 0 JJADRN CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC(c2cccc(OC)c2)CC1 ZINC001459952841 1067504916 /nfs/dbraw/zinc/50/49/16/1067504916.db2.gz LVHAWLDVKJAEJA-GOSISDBHSA-N 0 0 453.402 4.706 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001459955613 1067505869 /nfs/dbraw/zinc/50/58/69/1067505869.db2.gz ATQCFWSWYKGUPL-INIZCTEOSA-N 0 0 459.514 4.828 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC001459955796 1067506407 /nfs/dbraw/zinc/50/64/07/1067506407.db2.gz VNXIFLLXABFBLX-HZPDHXFCSA-N 0 0 452.509 4.912 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC001459955797 1067506514 /nfs/dbraw/zinc/50/65/14/1067506514.db2.gz VNXIFLLXABFBLX-JKSUJKDBSA-N 0 0 452.509 4.912 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)/C(=C\c2ccc(OC)cc2)c2cccs2)cc1 ZINC001459956473 1067506795 /nfs/dbraw/zinc/50/67/95/1067506795.db2.gz FKJVIMQAUIHHNP-VULIGXMUSA-N 0 0 455.601 4.968 20 0 JJADRN Cc1cc2c(cc1C)N(C(=O)[C@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CC2 ZINC001459960797 1067508501 /nfs/dbraw/zinc/50/85/01/1067508501.db2.gz OWUHLCSEMNJNMH-IBGZPJMESA-N 0 0 455.396 4.816 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC001459962071 1067508751 /nfs/dbraw/zinc/50/87/51/1067508751.db2.gz DNUOVTIQIXPZBX-XMMPIXPASA-N 0 0 459.594 4.724 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC001459962154 1067508884 /nfs/dbraw/zinc/50/88/84/1067508884.db2.gz QXIGHAZHZBPFGN-NZHZHZHDSA-N 0 0 452.576 4.708 20 0 JJADRN FC(F)C(F)(F)COCCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963792 1067509280 /nfs/dbraw/zinc/50/92/80/1067509280.db2.gz NCJMCGDZCUDCAL-ZDUSSCGKSA-N 0 0 452.246 4.553 20 0 JJADRN COc1cc(NC(=O)CCN2CCO[C@H](c3ccc(F)cc3Cl)C2)c(OC)cc1Cl ZINC001459964551 1067509527 /nfs/dbraw/zinc/50/95/27/1067509527.db2.gz SOZGCRGQXZYIQL-FQEVSTJZSA-N 0 0 457.329 4.552 20 0 JJADRN O=C(CCN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)Nc1ccc(Cl)cc1F ZINC001459966368 1067509969 /nfs/dbraw/zinc/50/99/69/1067509969.db2.gz YTIGZWLQQOYSOQ-GOSISDBHSA-N 0 0 459.718 4.783 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)CO1 ZINC001459973169 1067511489 /nfs/dbraw/zinc/51/14/89/1067511489.db2.gz HWGMODXORLCPDE-OALUTQOASA-N 0 0 455.517 4.971 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC001459973693 1067511558 /nfs/dbraw/zinc/51/15/58/1067511558.db2.gz LEFDCIDJPTUXKK-UHFFFAOYSA-N 0 0 452.519 4.769 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001459978236 1067513482 /nfs/dbraw/zinc/51/34/82/1067513482.db2.gz XNXAYUFOGIOQLZ-GPMSIDNRSA-N 0 0 450.760 4.756 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N3CCN(C)c4cc(Br)ccc43)CCCC2)c1 ZINC001459978414 1067513526 /nfs/dbraw/zinc/51/35/26/1067513526.db2.gz WMULUQPDGSAKDP-UHFFFAOYSA-N 0 0 459.384 4.761 20 0 JJADRN CC[C@](NC(=O)CCc1cc(Br)ccc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981481 1067514715 /nfs/dbraw/zinc/51/47/15/1067514715.db2.gz WQKUJOVVXSUPRN-HXUWFJFHSA-N 0 0 456.739 4.769 20 0 JJADRN CCOc1ccc2ccccc2c1C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459984153 1067515545 /nfs/dbraw/zinc/51/55/45/1067515545.db2.gz BCMNQQLRZKMQKW-UHFFFAOYSA-N 0 0 456.583 4.632 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991177 1067517937 /nfs/dbraw/zinc/51/79/37/1067517937.db2.gz MPWHVEIFTNIBAW-RXVVDRJESA-N 0 0 452.628 4.798 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001459995352 1067519410 /nfs/dbraw/zinc/51/94/10/1067519410.db2.gz YDACCWDNBVFROA-UHFFFAOYSA-N 0 0 457.502 4.940 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001459996031 1067519507 /nfs/dbraw/zinc/51/95/07/1067519507.db2.gz ROJJWYGLLXGCMF-IBGZPJMESA-N 0 0 453.526 4.836 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(OC)c(OC)c1 ZINC001459998083 1067520274 /nfs/dbraw/zinc/52/02/74/1067520274.db2.gz WFIFZKPHKCXHBG-HNNXBMFYSA-N 0 0 459.711 4.843 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459998546 1067520611 /nfs/dbraw/zinc/52/06/11/1067520611.db2.gz ROHAISDVNIJBQJ-MOEXGYKKSA-N 0 0 452.395 4.865 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459999881 1067521576 /nfs/dbraw/zinc/52/15/76/1067521576.db2.gz UWNIRFMXFJSKCJ-QGZVFWFLSA-N 0 0 452.942 4.793 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccnc1C(F)(F)F ZINC001460006304 1067524021 /nfs/dbraw/zinc/52/40/21/1067524021.db2.gz NTSQSEQBOJQZOU-SFHVURJKSA-N 0 0 451.489 4.903 20 0 JJADRN O=C(Nc1ccccc1)c1nnc(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)s1 ZINC001460007009 1067524880 /nfs/dbraw/zinc/52/48/80/1067524880.db2.gz ZIJBFTKMGFNOKP-HXUWFJFHSA-N 0 0 450.461 4.880 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC001460009493 1067525609 /nfs/dbraw/zinc/52/56/09/1067525609.db2.gz ZMOOBXJPORXNIV-UHFFFAOYSA-N 0 0 457.514 4.591 20 0 JJADRN O=C(Oc1cnc2ccc(Cl)cc2c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001460010881 1067526008 /nfs/dbraw/zinc/52/60/08/1067526008.db2.gz GFIHNEBTPBDESK-JLHYYAGUSA-N 0 0 456.951 4.506 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1CC[C@H](OCc2ccncc2)C1 ZINC001460012047 1067526692 /nfs/dbraw/zinc/52/66/92/1067526692.db2.gz CHNRVOVLPSJCIB-KRWDZBQOSA-N 0 0 459.340 4.558 20 0 JJADRN COCC[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001460011728 1067526898 /nfs/dbraw/zinc/52/68/98/1067526898.db2.gz QGEIOMDPGBRNJU-SFHVURJKSA-N 0 0 456.757 4.684 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1 ZINC001460013574 1067527168 /nfs/dbraw/zinc/52/71/68/1067527168.db2.gz JBOUXKHVBPOSRM-LJQANCHMSA-N 0 0 456.892 4.790 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001460013526 1067527369 /nfs/dbraw/zinc/52/73/69/1067527369.db2.gz ITSVRODJVNFTCE-UYAOXDASSA-N 0 0 450.023 4.723 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN3CC[C@](F)(c4ccccc4C)C3)n2)c(OC)c1 ZINC001460014325 1067527660 /nfs/dbraw/zinc/52/76/60/1067527660.db2.gz PYIVPEWQOAAAEX-XMMPIXPASA-N 0 0 455.555 4.645 20 0 JJADRN O=C1[C@H](N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)CCN1c1c(F)cccc1F ZINC001460016706 1067529367 /nfs/dbraw/zinc/52/93/67/1067529367.db2.gz LLOBSRUGFRKLOC-QGZVFWFLSA-N 0 0 458.402 4.930 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018098 1067529679 /nfs/dbraw/zinc/52/96/79/1067529679.db2.gz ZFACPMSMGJDDGD-LJQANCHMSA-N 0 0 455.908 4.879 20 0 JJADRN C[C@H](NC(=O)CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1Cl ZINC001460019233 1067530063 /nfs/dbraw/zinc/53/00/63/1067530063.db2.gz RAJKIQINDWCRJP-HNNXBMFYSA-N 0 0 450.385 4.837 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c(Cl)c1 ZINC001460019207 1067530175 /nfs/dbraw/zinc/53/01/75/1067530175.db2.gz TUWVSADWKCCWAS-KRWDZBQOSA-N 0 0 456.011 4.957 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc(Cl)cnc1OC(C)C ZINC001460023844 1067532255 /nfs/dbraw/zinc/53/22/55/1067532255.db2.gz QMYCVMBUQZQITE-CQSZACIVSA-N 0 0 457.017 4.825 20 0 JJADRN Cc1cc([C@@H]2CCCN2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025453 1067532625 /nfs/dbraw/zinc/53/26/25/1067532625.db2.gz VKDPDIDMPHCWQJ-NRFANRHFSA-N 0 0 452.414 4.767 20 0 JJADRN Cc1ccc(CNC(=O)c2nnc(CN3CCC(C)(c4cccc(Cl)c4)CC3)s2)cc1 ZINC001460025028 1067532663 /nfs/dbraw/zinc/53/26/63/1067532663.db2.gz XOGQFNBZHSMEQV-UHFFFAOYSA-N 0 0 455.027 4.984 20 0 JJADRN COc1ccccc1S(=O)(=O)CCCN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC001460025693 1067532771 /nfs/dbraw/zinc/53/27/71/1067532771.db2.gz WYUXJZJXBIEHOP-LJQANCHMSA-N 0 0 452.414 4.767 20 0 JJADRN CC1=C(Br)CN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC001460027734 1067533111 /nfs/dbraw/zinc/53/31/11/1067533111.db2.gz CGWTURBNEXAFHJ-HXUWFJFHSA-N 0 0 452.396 4.791 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001460028651 1067533212 /nfs/dbraw/zinc/53/32/12/1067533212.db2.gz IHTSSUGRYKMHDX-AWEZNQCLSA-N 0 0 454.880 4.536 20 0 JJADRN 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ZINC001460049377 1067539227 /nfs/dbraw/zinc/53/92/27/1067539227.db2.gz LKQRTJDKYCDVHP-RUZDIDTESA-N 0 0 453.583 4.983 20 0 JJADRN CN=[S@](C)(=O)c1cccc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001460054653 1067540266 /nfs/dbraw/zinc/54/02/66/1067540266.db2.gz NTWPZYKLFCPKJG-AREMUKBSSA-N 0 0 451.264 4.687 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC001460056332 1067540930 /nfs/dbraw/zinc/54/09/30/1067540930.db2.gz SSPOVIYIRIITTK-VGSWGCGISA-N 0 0 453.535 4.892 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC001460056381 1067540992 /nfs/dbraw/zinc/54/09/92/1067540992.db2.gz UDZZBUHCMFNJAY-OXQOHEQNSA-N 0 0 451.610 4.773 20 0 JJADRN Cn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cn1 ZINC001460056323 1067541058 /nfs/dbraw/zinc/54/10/58/1067541058.db2.gz OWIOOBRKWVHPEC-SONOPUAISA-N 0 0 450.391 4.825 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC001460057272 1067541096 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Cc1ccc(-c2csc(NC(=O)CN3CCC[C@@H]3COC(=O)NC3CCCCC3)n2)cc1 ZINC001460068569 1067545359 /nfs/dbraw/zinc/54/53/59/1067545359.db2.gz JDJCOTAESDBWGO-HXUWFJFHSA-N 0 0 456.612 4.580 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001460071765 1067545954 /nfs/dbraw/zinc/54/59/54/1067545954.db2.gz ZGPMPTLWHSCPQC-FQEVSTJZSA-N 0 0 453.391 4.755 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073857 1067547223 /nfs/dbraw/zinc/54/72/23/1067547223.db2.gz SSDCGRKUGKORTJ-QGZVFWFLSA-N 0 0 455.393 4.505 20 0 JJADRN COCC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)c1cccc(C(F)(F)F)c1 ZINC001460074374 1067547252 /nfs/dbraw/zinc/54/72/52/1067547252.db2.gz FZJYCBASGOXUIU-QGZVFWFLSA-N 0 0 453.461 4.955 20 0 JJADRN O=C(OC[C@@H]1CCCCN1Cc1csc(COc2ccc(Cl)cc2)n1)N1CCCC1 ZINC001460074768 1067547390 /nfs/dbraw/zinc/54/73/90/1067547390.db2.gz HSSIWEFQBCTJCX-IBGZPJMESA-N 0 0 450.004 4.962 20 0 JJADRN COCC[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1cccc(C(F)(F)F)c1 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OC[C@]1(N(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088758 1067551330 /nfs/dbraw/zinc/55/13/30/1067551330.db2.gz IQWFDCUMIRXWHU-JOCHJYFZSA-N 0 0 450.432 4.653 20 0 JJADRN O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001460090938 1067552284 /nfs/dbraw/zinc/55/22/84/1067552284.db2.gz BBADPNGQNRVGMO-UHFFFAOYSA-N 0 0 456.514 4.743 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)NC1(c2ccccc2Br)CCCCC1 ZINC001460093830 1067553141 /nfs/dbraw/zinc/55/31/41/1067553141.db2.gz OUZZCUXZHFOUHF-LUAWRHEFSA-N 0 0 455.352 4.769 20 0 JJADRN CO[C@H]([C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001460097438 1067554326 /nfs/dbraw/zinc/55/43/26/1067554326.db2.gz MYTZEDOKVQRVIE-OYHNWAKOSA-N 0 0 454.368 4.845 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460102263 1067555504 /nfs/dbraw/zinc/55/55/04/1067555504.db2.gz KWXLEBLXLWNSMF-JOCHJYFZSA-N 0 0 459.571 4.985 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460102264 1067555567 /nfs/dbraw/zinc/55/55/67/1067555567.db2.gz KWXLEBLXLWNSMF-QFIPXVFZSA-N 0 0 459.571 4.985 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001460103681 1067555824 /nfs/dbraw/zinc/55/58/24/1067555824.db2.gz FLGOKNCEWIXXDY-OEMFJLHTSA-N 0 0 452.620 4.691 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H](C)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104973 1067556271 /nfs/dbraw/zinc/55/62/71/1067556271.db2.gz JPKZWAJZGFERIM-XMSQKQJNSA-N 0 0 459.631 4.770 20 0 JJADRN CCc1ccc(N(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC(C)(C)C)cc1 ZINC001460109513 1067556576 /nfs/dbraw/zinc/55/65/76/1067556576.db2.gz PDFXVEQTLOPCKL-UHFFFAOYSA-N 0 0 450.562 4.732 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001460112808 1067557596 /nfs/dbraw/zinc/55/75/96/1067557596.db2.gz UWWPENCMRIMPEK-GFCCVEGCSA-N 0 0 450.764 4.770 20 0 JJADRN COc1cc(C(=O)NCCOc2ccc(Cl)c(F)c2)cc(OC)c1OCc1ccccc1 ZINC001460112497 1067557621 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ZDXBTNWRUFQZNP-REWPJTCUSA-N 0 0 450.608 4.767 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc3c(Br)ccnc23)nc1 ZINC001460116943 1067558709 /nfs/dbraw/zinc/55/87/09/1067558709.db2.gz RXOGMSSQJNISGV-UHFFFAOYSA-N 0 0 457.328 4.921 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc1I ZINC001460123265 1067559805 /nfs/dbraw/zinc/55/98/05/1067559805.db2.gz JOMQDBVVVUIVGB-SKDRFNHKSA-N 0 0 481.174 4.645 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125819 1067560087 /nfs/dbraw/zinc/56/00/87/1067560087.db2.gz NATSJSZBUSDYAB-UHFFFAOYSA-N 0 0 452.979 4.790 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cc(Br)cn4ccnc34)cc2C1 ZINC001460127616 1067560564 /nfs/dbraw/zinc/56/05/64/1067560564.db2.gz BODXURVHZNKQAD-UHFFFAOYSA-N 0 0 457.328 4.600 20 0 JJADRN O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001460132329 1067561280 /nfs/dbraw/zinc/56/12/80/1067561280.db2.gz ZFYFFAFVOYDPNE-UHFFFAOYSA-N 0 0 459.924 4.707 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC001460132839 1067561296 /nfs/dbraw/zinc/56/12/96/1067561296.db2.gz QZAZFURTCCOEGE-SFHVURJKSA-N 0 0 456.970 4.504 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)C[C@H](C)O1 ZINC001460131492 1067561318 /nfs/dbraw/zinc/56/13/18/1067561318.db2.gz PPJACXQXDWDECE-HDICACEKSA-N 0 0 451.567 4.803 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2cccc(F)c2)CCS1 ZINC001546114103 1067561480 /nfs/dbraw/zinc/56/14/80/1067561480.db2.gz VQHRFTYFQHCFNW-SFHVURJKSA-N 0 0 498.628 4.644 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOc3ccccc32)CCS1 ZINC001546114080 1067561490 /nfs/dbraw/zinc/56/14/90/1067561490.db2.gz VAHFNGFXFQSHHC-VQTJNVASSA-N 0 0 474.671 4.680 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC(C)(C)C)CCS1 ZINC001546114116 1067561652 /nfs/dbraw/zinc/56/16/52/1067561652.db2.gz WBNUMIONRHUUED-UHFFFAOYSA-N 0 0 494.105 4.789 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CCS1 ZINC001546114139 1067563239 /nfs/dbraw/zinc/56/32/39/1067563239.db2.gz WTEDJUAMNZWFJN-IBGZPJMESA-N 0 0 463.717 4.649 20 0 JJADRN CC(C)c1ccc(OCCNC(=O)CN2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC001460143990 1067563823 /nfs/dbraw/zinc/56/38/23/1067563823.db2.gz XOHSEKKXUVQJSO-UHFFFAOYSA-N 0 0 455.546 4.660 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(OC)cc2)CCS1 ZINC001546114164 1067563903 /nfs/dbraw/zinc/56/39/03/1067563903.db2.gz XLMLFTZDJTVCMP-UHFFFAOYSA-N 0 0 473.687 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001460148538 1067565230 /nfs/dbraw/zinc/56/52/30/1067565230.db2.gz FRADAPGDNAUXKH-LJQANCHMSA-N 0 0 452.636 4.965 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1 ZINC001460151883 1067565713 /nfs/dbraw/zinc/56/57/13/1067565713.db2.gz MQFPHJKTNIXRDG-GOSISDBHSA-N 0 0 455.555 4.792 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001460151291 1067565726 /nfs/dbraw/zinc/56/57/26/1067565726.db2.gz IQCTUNKHSBMDQQ-WWGRRREGSA-N 0 0 451.017 4.957 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC001460156764 1067566362 /nfs/dbraw/zinc/56/63/62/1067566362.db2.gz BXZDJECROBKQAK-DEOSSOPVSA-N 0 0 458.961 4.754 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001460154371 1067566505 /nfs/dbraw/zinc/56/65/05/1067566505.db2.gz UZILQIDWOXJPPQ-SFHVURJKSA-N 0 0 455.603 4.799 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(Br)c1 ZINC001460157422 1067566714 /nfs/dbraw/zinc/56/67/14/1067566714.db2.gz GUBLFXBGSMJQLY-RTBURBONSA-N 0 0 453.739 4.686 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1C ZINC001460159996 1067567194 /nfs/dbraw/zinc/56/71/94/1067567194.db2.gz SQYZCFVTTYZWSU-UHFFFAOYSA-N 0 0 459.468 4.717 20 0 JJADRN CCCOc1ccc(C(=O)Nc2nnc3ccc(Br)cn32)c(OC2CCCC2)c1 ZINC001460159780 1067567351 /nfs/dbraw/zinc/56/73/51/1067567351.db2.gz FHZXVJWSAZVPAK-UHFFFAOYSA-N 0 0 459.344 4.854 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001460160799 1067567585 /nfs/dbraw/zinc/56/75/85/1067567585.db2.gz SHJMASFIYFRNMA-HXUWFJFHSA-N 0 0 454.723 4.823 20 0 JJADRN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001460164333 1067567960 /nfs/dbraw/zinc/56/79/60/1067567960.db2.gz NZBBGDGKTBXUIU-AZUAARDMSA-N 0 0 454.324 4.682 20 0 JJADRN COc1ccc([C@@H](OC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C(F)(F)F)cc1 ZINC001460165938 1067568380 /nfs/dbraw/zinc/56/83/80/1067568380.db2.gz DXMDHRYTQLBJST-QGZVFWFLSA-N 0 0 454.426 4.695 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@]1(C)CC1(Cl)Cl)c1cccc(C(F)(F)F)c1 ZINC001460168049 1067568771 /nfs/dbraw/zinc/56/87/71/1067568771.db2.gz SPYPBTSCRZEPKL-GUYCJALGSA-N 0 0 455.304 4.971 20 0 JJADRN CN(CCc1cccc(Br)c1)Cc1nc(-c2ccc(Br)s2)no1 ZINC001460170210 1067569110 /nfs/dbraw/zinc/56/91/10/1067569110.db2.gz HMWSRWDDXCIZGB-UHFFFAOYSA-N 0 0 457.191 4.998 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1ccc(C)cc1Br ZINC001460169837 1067569278 /nfs/dbraw/zinc/56/92/78/1067569278.db2.gz JASUGNRJZMZVIX-SFHVURJKSA-N 0 0 453.174 4.620 20 0 JJADRN COc1ccc([C@@H](C)NCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)c1OC ZINC001460177618 1067571465 /nfs/dbraw/zinc/57/14/65/1067571465.db2.gz RRLCRVBIDIBNQM-GFCCVEGCSA-N 0 0 455.868 4.511 20 0 JJADRN CCc1cc2oc(=O)cc(CN[C@@H](CO)c3ccc(Br)c(F)c3)c2cc1Cl ZINC001460177172 1067571565 /nfs/dbraw/zinc/57/15/65/1067571565.db2.gz ZYASYJQLLNVQAS-SFHVURJKSA-N 0 0 454.723 4.734 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CN2CCC(C)(C)c3ccccc32)c(C(=O)OCC)c1C ZINC001460180329 1067572370 /nfs/dbraw/zinc/57/23/70/1067572370.db2.gz FCPUGEXSDYMTNY-UHFFFAOYSA-N 0 0 458.580 4.536 20 0 JJADRN COC[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccc(Cl)cc1 ZINC001460184419 1067573808 /nfs/dbraw/zinc/57/38/08/1067573808.db2.gz CJAYHOBEXPRTFC-LJFZDNNRSA-N 0 0 451.007 4.756 20 0 JJADRN COC[C@H](CNC(=O)c1cc(I)c(C)cc1C)c1ccc(Cl)cc1 ZINC001460184394 1067573974 /nfs/dbraw/zinc/57/39/74/1067573974.db2.gz BMBMFRFOUWWPKF-HNNXBMFYSA-N 0 0 457.739 4.721 20 0 JJADRN COc1c(F)cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(OC)c1F ZINC001460185378 1067574141 /nfs/dbraw/zinc/57/41/41/1067574141.db2.gz BRPATYVHZBMRQY-UHFFFAOYSA-N 0 0 453.445 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184449 1067574212 /nfs/dbraw/zinc/57/42/12/1067574212.db2.gz XWVPOEQTKFUVAM-KNQAVFIVSA-N 0 0 451.567 4.749 20 0 JJADRN Cc1noc(-c2ccc(NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)cn2)n1 ZINC001460187340 1067574635 /nfs/dbraw/zinc/57/46/35/1067574635.db2.gz KTRLAFJGTFELPH-UHFFFAOYSA-N 0 0 452.268 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001460190193 1067575272 /nfs/dbraw/zinc/57/52/72/1067575272.db2.gz QSSVMLHVDSYAJG-QGZVFWFLSA-N 0 0 452.473 4.707 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192057 1067575502 /nfs/dbraw/zinc/57/55/02/1067575502.db2.gz CJKWBESGQYBNAN-UUOWRZLLSA-N 0 0 459.993 4.752 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196254 1067576358 /nfs/dbraw/zinc/57/63/58/1067576358.db2.gz KQETZDZLCHLYKV-FGZHOGPDSA-N 0 0 453.583 4.989 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC001460198078 1067576805 /nfs/dbraw/zinc/57/68/05/1067576805.db2.gz OYCSRJKEZWKIDW-AWEZNQCLSA-N 0 0 459.543 4.720 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)CN3CCCC[C@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197046 1067576861 /nfs/dbraw/zinc/57/68/61/1067576861.db2.gz NOKLJGUKMZWUCA-NRFANRHFSA-N 0 0 456.612 4.580 20 0 JJADRN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199181 1067577624 /nfs/dbraw/zinc/57/76/24/1067577624.db2.gz XKQRQTKDZHPQKH-ROUUACIJSA-N 0 0 453.327 4.844 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001460203214 1067578308 /nfs/dbraw/zinc/57/83/08/1067578308.db2.gz IYWUGPBKWHNLCS-UHFFFAOYSA-N 0 0 450.901 4.595 20 0 JJADRN CCOC(=O)c1ncc(C(=O)NCC2(c3ccccc3Br)CCCCC2)s1 ZINC001460209257 1067579558 /nfs/dbraw/zinc/57/95/58/1067579558.db2.gz XYCGSGFUIMGWDR-UHFFFAOYSA-N 0 0 451.386 4.714 20 0 JJADRN CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460209359 1067580174 /nfs/dbraw/zinc/58/01/74/1067580174.db2.gz STEZSLKSLZHTQR-ZRBLBEILSA-N 0 0 456.558 4.813 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)OC)CCS1 ZINC001546114665 1067580508 /nfs/dbraw/zinc/58/05/08/1067580508.db2.gz BHFBYTMTDLDQKS-GOSISDBHSA-N 0 0 462.660 4.888 20 0 JJADRN CC(C)(C)Sc1c(F)cc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1F ZINC001460213031 1067580664 /nfs/dbraw/zinc/58/06/64/1067580664.db2.gz SZIKZPQWRBFGTI-UHFFFAOYSA-N 0 0 454.583 4.993 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCCC2)CCS1 ZINC001546114683 1067580957 /nfs/dbraw/zinc/58/09/57/1067580957.db2.gz BUFJZGFHUMNBJC-UHFFFAOYSA-N 0 0 480.053 4.895 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)CCS1 ZINC001546114743 1067582181 /nfs/dbraw/zinc/58/21/81/1067582181.db2.gz FFAVSFKAMBTAHV-UHFFFAOYSA-N 0 0 483.451 4.995 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC001460218143 1067582364 /nfs/dbraw/zinc/58/23/64/1067582364.db2.gz XKSGZKWPXPMCPR-QHCPKHFHSA-N 0 0 455.002 4.985 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001460219851 1067582793 /nfs/dbraw/zinc/58/27/93/1067582793.db2.gz YGOCNUFXIVKTMX-KWOQKUFVSA-N 0 0 458.961 4.550 20 0 JJADRN CCOc1nccc(C)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460227909 1067584307 /nfs/dbraw/zinc/58/43/07/1067584307.db2.gz AEDDMNQPRISQKF-TZIWHRDSSA-N 0 0 471.573 4.698 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC001460228853 1067584697 /nfs/dbraw/zinc/58/46/97/1067584697.db2.gz VZAJOWUJMRYJIO-CYBMUJFWSA-N 0 0 459.157 4.720 20 0 JJADRN Cc1ncsc1CCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460232602 1067585832 /nfs/dbraw/zinc/58/58/32/1067585832.db2.gz QSODLWRWYLGOFL-UYAOXDASSA-N 0 0 461.603 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ncc(Br)cc2F)C[C@H]1c1cccc(F)c1 ZINC001460236177 1067586845 /nfs/dbraw/zinc/58/68/45/1067586845.db2.gz VKVCEXDUBDWNDE-FUHWJXTLSA-N 0 0 468.342 4.615 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NCc2ccccc2)CCS1 ZINC001546114990 1067587300 /nfs/dbraw/zinc/58/73/00/1067587300.db2.gz NITFBEBYPJQKKY-UHFFFAOYSA-N 0 0 467.639 4.665 20 0 JJADRN CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1cccc(Br)c1 ZINC001460237101 1067587311 /nfs/dbraw/zinc/58/73/11/1067587311.db2.gz IFLNWLDOMNREKP-QFIPXVFZSA-N 0 0 455.352 4.845 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC(C)(C)C2)CCS1 ZINC001546115013 1067587368 /nfs/dbraw/zinc/58/73/68/1067587368.db2.gz OQBABMDFBLMBIE-UHFFFAOYSA-N 0 0 496.096 4.960 20 0 JJADRN CSc1ccccc1OC[C@H](O)CN(Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237705 1067587873 /nfs/dbraw/zinc/58/78/73/1067587873.db2.gz BCUBUEBMHDLTNL-OAHLLOKOSA-N 0 0 459.837 4.870 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1)c1ccccc1 ZINC001460240345 1067589169 /nfs/dbraw/zinc/58/91/69/1067589169.db2.gz MRLWRFGRUPUOTN-TXPKVOOTSA-N 0 0 454.514 4.529 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3Br)C2)cc1 ZINC001460242476 1067589617 /nfs/dbraw/zinc/58/96/17/1067589617.db2.gz SGIHQJRMRXSHAW-SFHVURJKSA-N 0 0 454.368 4.738 20 0 JJADRN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245150 1067590229 /nfs/dbraw/zinc/59/02/29/1067590229.db2.gz ZLOCTPHFPQNVGA-WDOIYZOTSA-N 0 0 481.612 4.875 20 0 JJADRN CC(=O)N(c1nc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)cs1)c1ccc(C)c(C)c1 ZINC001460251931 1067591625 /nfs/dbraw/zinc/59/16/25/1067591625.db2.gz BEFDYCHDPJUOHC-QHCPKHFHSA-N 0 0 454.640 4.715 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC2)CCS1 ZINC001546115076 1067591957 /nfs/dbraw/zinc/59/19/57/1067591957.db2.gz QSFWFWMRFHBDQV-AWEZNQCLSA-N 0 0 471.490 4.918 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001460258414 1067592620 /nfs/dbraw/zinc/59/26/20/1067592620.db2.gz MGFFEQOGXPGENA-IBGZPJMESA-N 0 0 457.640 4.967 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2ccccc2)c2ccccc2)ncc1I ZINC001460260821 1067592803 /nfs/dbraw/zinc/59/28/03/1067592803.db2.gz ASRGKHWTCXXWQH-UHFFFAOYSA-N 0 0 457.315 4.640 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nnc(C)s2)CCS1 ZINC001546115147 1067593298 /nfs/dbraw/zinc/59/32/98/1067593298.db2.gz UOMSVTCIQSCLKM-UHFFFAOYSA-N 0 0 464.064 4.508 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)cc2nc1C(F)(F)F ZINC001460261259 1067593304 /nfs/dbraw/zinc/59/33/04/1067593304.db2.gz FIRDDOGHXJXILJ-QEORTHHSSA-N 0 0 470.492 4.647 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(Cc2cn3cc(Br)ccc3n2)C1 ZINC001460265311 1067593946 /nfs/dbraw/zinc/59/39/46/1067593946.db2.gz RUHPCXSYULRZLT-QGZVFWFLSA-N 0 0 457.372 4.553 20 0 JJADRN COc1ccccc1-c1nnc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)s1 ZINC001460270416 1067594638 /nfs/dbraw/zinc/59/46/38/1067594638.db2.gz TWPPGPDKPNGGRC-UHFFFAOYSA-N 0 0 453.955 4.981 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccc(Cl)cc1 ZINC001460270371 1067594659 /nfs/dbraw/zinc/59/46/59/1067594659.db2.gz RSKNKTLQVMKXPD-MRXNPFEDSA-N 0 0 459.921 4.789 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)OCc1ccc(OC(F)F)c(Br)c1)C2 ZINC001460272898 1067595030 /nfs/dbraw/zinc/59/50/30/1067595030.db2.gz WBMUJTPIBAJLFY-HXUWFJFHSA-N 0 0 455.251 4.574 20 0 JJADRN O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460283263 1067597786 /nfs/dbraw/zinc/59/77/86/1067597786.db2.gz AEGFAZKXRZGUGW-CQSZACIVSA-N 0 0 456.306 4.706 20 0 JJADRN COc1ccc(Br)cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460283291 1067597896 /nfs/dbraw/zinc/59/78/96/1067597896.db2.gz AGIQKQKLKZAQDS-CQSZACIVSA-N 0 0 453.174 4.925 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001460284257 1067598274 /nfs/dbraw/zinc/59/82/74/1067598274.db2.gz DUXWCCOXMHESEV-UHFFFAOYSA-N 0 0 456.739 4.529 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1)c1ccco1 ZINC001460287333 1067599288 /nfs/dbraw/zinc/59/92/88/1067599288.db2.gz PRCJNFIIISAESZ-QGZVFWFLSA-N 0 0 453.336 4.999 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3C)n2CC[C@H](C(F)F)N2CCOCC2)CCS1 ZINC001546115280 1067599303 /nfs/dbraw/zinc/59/93/03/1067599303.db2.gz YPHOFEADQQABQX-OAQYLSRUSA-N 0 0 493.668 4.722 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)CCOCC2)CCS1 ZINC001546115290 1067599935 /nfs/dbraw/zinc/59/99/35/1067599935.db2.gz YXURXACNMMTBJF-UHFFFAOYSA-N 0 0 450.052 4.922 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2)c1 ZINC001460297603 1067600821 /nfs/dbraw/zinc/60/08/21/1067600821.db2.gz QHPHALDJTQTZSS-QHCPKHFHSA-N 0 0 450.560 4.689 20 0 JJADRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OCc1ccc(F)cc1 ZINC001460299674 1067601298 /nfs/dbraw/zinc/60/12/98/1067601298.db2.gz BOKMXXZFPDTLQG-KRWDZBQOSA-N 0 0 457.523 4.573 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC001460299904 1067601406 /nfs/dbraw/zinc/60/14/06/1067601406.db2.gz ZTOUOUNHOULGMO-ZDUSSCGKSA-N 0 0 450.333 4.621 20 0 JJADRN C[C@@H]1[C@@H](C)N(CC(=O)Nc2ccccc2Cc2ccccc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460301117 1067601903 /nfs/dbraw/zinc/60/19/03/1067601903.db2.gz UPJNDPOXCKKNPM-PWRODBHTSA-N 0 0 451.611 4.934 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301168 1067602341 /nfs/dbraw/zinc/60/23/41/1067602341.db2.gz BRAKJHKMFHXETQ-ZIFCJYIRSA-N 0 0 455.624 4.651 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302983 1067602928 /nfs/dbraw/zinc/60/29/28/1067602928.db2.gz VLGUFDOEAMZTNQ-NNMXDRDESA-N 0 0 458.961 4.642 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Cl)ccc1I ZINC001460306413 1067603838 /nfs/dbraw/zinc/60/38/38/1067603838.db2.gz AHDNUJSQMSKMFO-UHFFFAOYSA-N 0 0 459.696 4.627 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001460308836 1067604709 /nfs/dbraw/zinc/60/47/09/1067604709.db2.gz UJGJGOSXKSHWRE-ZNLUXHQJSA-N 0 0 453.587 4.545 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC001460309518 1067605027 /nfs/dbraw/zinc/60/50/27/1067605027.db2.gz ZVOGJLBQNDTQRJ-UHFFFAOYSA-N 0 0 458.606 4.859 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001460312011 1067605118 /nfs/dbraw/zinc/60/51/18/1067605118.db2.gz DILGPJGSBVZZJH-BJKOFHAPSA-N 0 0 462.977 4.758 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315073 1067605820 /nfs/dbraw/zinc/60/58/20/1067605820.db2.gz XCIFTTKBBFBPAG-UHFFFAOYSA-N 0 0 450.551 4.713 20 0 JJADRN COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315398 1067605853 /nfs/dbraw/zinc/60/58/53/1067605853.db2.gz XUWMSOPDBKSWJC-UHOFOFEASA-N 0 0 455.769 4.862 20 0 JJADRN Fc1ccccc1COc1ccc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)cn1 ZINC001460317384 1067606340 /nfs/dbraw/zinc/60/63/40/1067606340.db2.gz SEUKSYAKBUPBLR-LJQANCHMSA-N 0 0 458.331 4.611 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)c1ccccc1 ZINC001460316991 1067606450 /nfs/dbraw/zinc/60/64/50/1067606450.db2.gz QENZQPGSTNGFTE-QZTJIDSGSA-N 0 0 454.311 4.999 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Oc1cccc(-n2ccccc2=O)c1 ZINC001460319134 1067606715 /nfs/dbraw/zinc/60/67/15/1067606715.db2.gz PGXDGUOVBXDUOQ-UHFFFAOYSA-N 0 0 452.919 4.675 20 0 JJADRN CO[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(Br)c1)c1ccc(Br)s1 ZINC001460320817 1067607657 /nfs/dbraw/zinc/60/76/57/1067607657.db2.gz OYEXZLQBTCXFIC-RMLUDKJBSA-N 0 0 451.155 4.977 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001460324372 1067608003 /nfs/dbraw/zinc/60/80/03/1067608003.db2.gz QVWLHWVCWMTJML-VIFPVBQESA-N 0 0 455.690 4.761 20 0 JJADRN O=C(CN1c2cc(F)ccc2OC[C@@H]1CCO)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460331043 1067609990 /nfs/dbraw/zinc/60/99/90/1067609990.db2.gz DKBSHUAQMKFJHD-SFHVURJKSA-N 0 0 456.901 4.860 20 0 JJADRN O=C(NCCc1cccc(C(F)(F)F)n1)c1cc(Br)ccc1Br ZINC001460334189 1067610565 /nfs/dbraw/zinc/61/05/65/1067610565.db2.gz RIUDEYLUGKIESS-UHFFFAOYSA-N 0 0 452.068 4.598 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001460342949 1067612938 /nfs/dbraw/zinc/61/29/38/1067612938.db2.gz DCKPHPNIMHJLNB-YJYMSZOUSA-N 0 0 455.860 4.661 20 0 JJADRN COc1ccc2c(c1)OC[C@@H]2CC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001460348152 1067613786 /nfs/dbraw/zinc/61/37/86/1067613786.db2.gz BWZGNKNOUTWUHJ-ZDUSSCGKSA-N 0 0 450.760 4.825 20 0 JJADRN CCC[C@@H](CNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001460348567 1067614205 /nfs/dbraw/zinc/61/42/05/1067614205.db2.gz KBABSKMYLFCEBI-PMACEKPBSA-N 0 0 450.579 4.579 20 0 JJADRN CC(C)C[C@@H](C(=O)NCC(C)(C)c1ccc(Br)cc1Cl)N1CCCCC1=O ZINC001460351742 1067615004 /nfs/dbraw/zinc/61/50/04/1067615004.db2.gz SDDHWAWAHDGLSY-SFHVURJKSA-N 0 0 457.840 4.924 20 0 JJADRN Cc1cc(C(=O)OCc2ccc(C(C)C)nc2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001460353834 1067615448 /nfs/dbraw/zinc/61/54/48/1067615448.db2.gz LILSQNITGYWOFZ-UHFFFAOYSA-N 0 0 458.624 4.908 20 0 JJADRN C[C@@H](OC(=O)c1ccc(F)c(I)c1)c1ccc(-n2cccn2)c(F)c1 ZINC001460355436 1067615799 /nfs/dbraw/zinc/61/57/99/1067615799.db2.gz CTLISRHUZLJKKR-LLVKDONJSA-N 0 0 454.214 4.673 20 0 JJADRN CCOC(=O)[C@H](NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CCCCCC1 ZINC001460357205 1067616978 /nfs/dbraw/zinc/61/69/78/1067616978.db2.gz LSJSHSFDKRRXKT-JOCHJYFZSA-N 0 0 454.533 4.688 20 0 JJADRN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001460358032 1067617316 /nfs/dbraw/zinc/61/73/16/1067617316.db2.gz WOULIODJHWQSTG-CQSZACIVSA-N 0 0 456.306 4.617 20 0 JJADRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358449 1067617479 /nfs/dbraw/zinc/61/74/79/1067617479.db2.gz FSFPPBIZPKREAF-JNEQXLIQSA-N 0 0 469.582 4.589 20 0 JJADRN COCc1cc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc(C(=O)OC)c1 ZINC001460360214 1067617734 /nfs/dbraw/zinc/61/77/34/1067617734.db2.gz BGGNBXWYCGPUMV-UHFFFAOYSA-N 0 0 452.732 4.706 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(C)nc3ccc(Br)cc32)c1 ZINC001460360552 1067618348 /nfs/dbraw/zinc/61/83/48/1067618348.db2.gz OPHIFWVWGMWEJR-UHFFFAOYSA-N 0 0 457.324 4.881 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC001460363445 1067618598 /nfs/dbraw/zinc/61/85/98/1067618598.db2.gz QRSUNIPAUVTJCR-NYHFZMIOSA-N 0 0 466.413 4.701 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1)c1ccco1 ZINC001460363523 1067618627 /nfs/dbraw/zinc/61/86/27/1067618627.db2.gz TXTQVWAIAWAGNE-UHFFFAOYSA-N 0 0 451.280 4.732 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001460363758 1067619148 /nfs/dbraw/zinc/61/91/48/1067619148.db2.gz UTKKWLAAICPEBP-SFHVURJKSA-N 0 0 458.432 4.941 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)CC1=O ZINC001460372006 1067620526 /nfs/dbraw/zinc/62/05/26/1067620526.db2.gz GRNDGEGXTYKZIS-CTNGQTDRSA-N 0 0 452.570 4.600 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c2ccc(F)cc2Cl)c1 ZINC001460371212 1067620567 /nfs/dbraw/zinc/62/05/67/1067620567.db2.gz YMMKEGZBKLHIPP-XOBRGWDASA-N 0 0 450.938 4.801 20 0 JJADRN COc1ccc(-c2nc(CN3CCC[C@H]3c3nccc(C(F)(F)F)n3)cs2)c(OC)c1 ZINC001460372291 1067620877 /nfs/dbraw/zinc/62/08/77/1067620877.db2.gz ZCRAEYHTSRYPOH-INIZCTEOSA-N 0 0 450.486 4.973 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1=O ZINC001460374113 1067621320 /nfs/dbraw/zinc/62/13/20/1067621320.db2.gz JWIICOUORHTLFS-MGPUTAFESA-N 0 0 450.476 4.991 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1OC1CCCC1 ZINC001460376513 1067621746 /nfs/dbraw/zinc/62/17/46/1067621746.db2.gz OQBKAKAVIQPBDN-VGOFRKELSA-N 0 0 454.542 4.638 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001460379593 1067622602 /nfs/dbraw/zinc/62/26/02/1067622602.db2.gz BODFDRHRSSYBHK-UHFFFAOYSA-N 0 0 452.679 4.996 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)CC1=O ZINC001460383319 1067622861 /nfs/dbraw/zinc/62/28/61/1067622861.db2.gz UTMATPHGJDLIPQ-HNNXBMFYSA-N 0 0 453.901 4.850 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCS1 ZINC001546116141 1067623306 /nfs/dbraw/zinc/62/33/06/1067623306.db2.gz IUAHPTWBMMWVDK-UYAOXDASSA-N 0 0 458.676 4.688 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@H](OC)c2ccc(Cl)cc2)CCS1 ZINC001546115948 1067624212 /nfs/dbraw/zinc/62/42/12/1067624212.db2.gz BBUBGZWFMOMVCX-FQEVSTJZSA-N 0 0 473.046 4.888 20 0 JJADRN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC001460389432 1067624540 /nfs/dbraw/zinc/62/45/40/1067624540.db2.gz KPFPCRBJVHHALG-GDIGMMSISA-N 0 0 479.394 4.822 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC001460391675 1067624988 /nfs/dbraw/zinc/62/49/88/1067624988.db2.gz 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CCOC(=O)[C@]1(F)CN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC12CCC2 ZINC001460402849 1067627282 /nfs/dbraw/zinc/62/72/82/1067627282.db2.gz KUIQEKMGWKQVLG-AVRWGWEMSA-N 0 0 456.583 4.922 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546116026 1067627806 /nfs/dbraw/zinc/62/78/06/1067627806.db2.gz DVGDKRRYFLFEBR-UHFFFAOYSA-N 0 0 474.675 4.709 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001460404788 1067627825 /nfs/dbraw/zinc/62/78/25/1067627825.db2.gz WHZYSYGDIKLIRA-IFMALSPDSA-N 0 0 454.998 4.901 20 0 JJADRN CN(C(=O)CN1CCc2ccccc2C(C)(C)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460406027 1067628239 /nfs/dbraw/zinc/62/82/39/1067628239.db2.gz MYMPSFZOSBFGTR-HHHXNRCGSA-N 0 0 453.026 4.973 20 0 JJADRN Cc1c(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)nnn1-c1ccc(C)cc1 ZINC001460407984 1067628824 /nfs/dbraw/zinc/62/88/24/1067628824.db2.gz WDUQIPGCVMMPBS-MRXNPFEDSA-N 0 0 455.234 4.502 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2cccc(Cl)c2)CCS1 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LITFQHATGXYXCK-MRXNPFEDSA-N 0 0 456.468 4.899 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CCS1 ZINC001546117462 1067662316 /nfs/dbraw/zinc/66/23/16/1067662316.db2.gz HPRKEIHTXDYNHD-UHFFFAOYSA-N 0 0 492.133 4.745 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2C)CCS1 ZINC001546117474 1067662343 /nfs/dbraw/zinc/66/23/43/1067662343.db2.gz HVDHUYSFKPHQAR-GOSISDBHSA-N 0 0 481.588 4.717 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001460590516 1067664165 /nfs/dbraw/zinc/66/41/65/1067664165.db2.gz DPQUKYIMYMZEAE-RHGYRFJNSA-N 0 0 452.982 4.823 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001460591158 1067664222 /nfs/dbraw/zinc/66/42/22/1067664222.db2.gz FLEMWFNKXVJHRM-KSFYIVLOSA-N 0 0 454.954 4.593 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596445 1067665080 /nfs/dbraw/zinc/66/50/80/1067665080.db2.gz NQGXUYQRBAUAHC-YKSBVNFPSA-N 0 0 454.611 4.941 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ncc(OC)cc1Br ZINC001460594997 1067665098 /nfs/dbraw/zinc/66/50/98/1067665098.db2.gz HFKPGVXVGCBAIV-UHFFFAOYSA-N 0 0 452.312 4.537 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)CCS1 ZINC001546117569 1067666088 /nfs/dbraw/zinc/66/60/88/1067666088.db2.gz JVXHWSVRERPUTG-OAQYLSRUSA-N 0 0 460.692 4.841 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)N[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001460598247 1067666109 /nfs/dbraw/zinc/66/61/09/1067666109.db2.gz SISGZIGYACXTBV-YADHBBJMSA-N 0 0 459.464 4.837 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc(OC)c1 ZINC001460601161 1067667135 /nfs/dbraw/zinc/66/71/35/1067667135.db2.gz XCZNYGDJANMKRP-XMMPIXPASA-N 0 0 454.910 4.744 20 0 JJADRN CCOc1cc(C(=O)N2CCC(C)(C)c3ccccc32)ccc1OCC(=O)N1CCCCC1 ZINC001460600694 1067667142 /nfs/dbraw/zinc/66/71/42/1067667142.db2.gz QIORAFBCGGXORE-UHFFFAOYSA-N 0 0 450.579 4.805 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc(OC)c1 ZINC001460601159 1067667156 /nfs/dbraw/zinc/66/71/56/1067667156.db2.gz XCZNYGDJANMKRP-DEOSSOPVSA-N 0 0 454.910 4.744 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)Cc1csc(C2CCCC2)n1 ZINC001460601691 1067667389 /nfs/dbraw/zinc/66/73/89/1067667389.db2.gz AJZVPQCCPZAUPR-UHFFFAOYSA-N 0 0 453.358 4.540 20 0 JJADRN C[C@@H]1[C@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001460602731 1067667459 /nfs/dbraw/zinc/66/74/59/1067667459.db2.gz APQUPHAEADFNBI-IUODEOHRSA-N 0 0 456.440 4.614 20 0 JJADRN Cc1ccc(C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)c(Br)n1 ZINC001460601640 1067667493 /nfs/dbraw/zinc/66/74/93/1067667493.db2.gz AAHZRNOGYXNNEW-KBPBESRZSA-N 0 0 456.306 4.911 20 0 JJADRN O[C@H](c1ccccc1)[C@@H]1CCCN1CCOc1c(Br)cccc1Br ZINC001460606945 1067669675 /nfs/dbraw/zinc/66/96/75/1067669675.db2.gz IEGSTEWQFZMWSR-ZWKOTPCHSA-N 0 0 455.190 4.788 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(Br)c1 ZINC001460607178 1067669813 /nfs/dbraw/zinc/66/98/13/1067669813.db2.gz OMBPNYNVZRPLDH-GOSISDBHSA-N 0 0 451.405 4.596 20 0 JJADRN O[C@H](CN1CCC[C@@H]1c1ccc(Br)cc1Cl)c1cc(Br)no1 ZINC001460607920 1067670131 /nfs/dbraw/zinc/67/01/31/1067670131.db2.gz RGTQOSVHVVCGDF-CHWSQXEVSA-N 0 0 450.558 4.724 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC001460609172 1067670703 /nfs/dbraw/zinc/67/07/03/1067670703.db2.gz ODAWOWBKWBTSKJ-QRVBRYPASA-N 0 0 458.521 4.896 20 0 JJADRN O=C(COc1ccc(I)cc1)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC001460611061 1067671281 /nfs/dbraw/zinc/67/12/81/1067671281.db2.gz UEONFNDESYJXGW-UHFFFAOYSA-N 0 0 455.723 4.605 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)ccc1F ZINC001460610824 1067671310 /nfs/dbraw/zinc/67/13/10/1067671310.db2.gz RYSQYAPBFWGTGI-IBGZPJMESA-N 0 0 459.518 4.780 20 0 JJADRN Cc1sc2ncc(C(=O)N[C@H](Cc3ccccc3C(F)(F)F)C(C)(C)C)c(=O)n2c1C ZINC001460612375 1067671724 /nfs/dbraw/zinc/67/17/24/1067671724.db2.gz QNYRARRMALQTFV-QGZVFWFLSA-N 0 0 451.514 4.779 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)C1 ZINC001460613371 1067672933 /nfs/dbraw/zinc/67/29/33/1067672933.db2.gz SKKOIGXOWYKTRI-CQSZACIVSA-N 0 0 454.424 4.582 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)OC2)NC1CCCCCCC1 ZINC001460614549 1067673551 /nfs/dbraw/zinc/67/35/51/1067673551.db2.gz ANENXIJIDHPNQX-UHFFFAOYSA-N 0 0 452.576 4.931 20 0 JJADRN CCOC(=O)[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC001460617350 1067674177 /nfs/dbraw/zinc/67/41/77/1067674177.db2.gz PJHOIPBLMOPHHW-QRVBRYPASA-N 0 0 456.739 4.966 20 0 JJADRN CCOC(=O)[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC001460617351 1067674199 /nfs/dbraw/zinc/67/41/99/1067674199.db2.gz PJHOIPBLMOPHHW-QYZOEREBSA-N 0 0 456.739 4.966 20 0 JJADRN CCOCCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCc2ccccc21 ZINC001460618888 1067674558 /nfs/dbraw/zinc/67/45/58/1067674558.db2.gz QGUJFZHKEMZFOG-IBGZPJMESA-N 0 0 453.327 4.692 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001460620373 1067675227 /nfs/dbraw/zinc/67/52/27/1067675227.db2.gz CTPBNAKFRDKQQR-IBGZPJMESA-N 0 0 455.839 4.689 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NC2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC001460619860 1067675259 /nfs/dbraw/zinc/67/52/59/1067675259.db2.gz YQMRROXYNTUCFP-NSHDSACASA-N 0 0 457.370 4.768 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)cc1 ZINC001460621344 1067675709 /nfs/dbraw/zinc/67/57/09/1067675709.db2.gz ZVZXVOKYRFSRFF-UHFFFAOYSA-N 0 0 452.414 4.996 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CCS1 ZINC001546117694 1067675765 /nfs/dbraw/zinc/67/57/65/1067675765.db2.gz NDWWEWPTSGHCSH-NJYVYQBISA-N 0 0 450.693 4.735 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1nn(C(C)C)cc1Br ZINC001460625743 1067676786 /nfs/dbraw/zinc/67/67/86/1067676786.db2.gz LKJWSUPFRIBLJA-UHFFFAOYSA-N 0 0 454.268 4.736 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CCS1 ZINC001546117763 1067677426 /nfs/dbraw/zinc/67/74/26/1067677426.db2.gz OMUHNYYSFYVIMS-PZJWPPBQSA-N 0 0 462.635 4.811 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001546117828 1067677826 /nfs/dbraw/zinc/67/78/26/1067677826.db2.gz QCBHXOYVGUFHTC-WIYYLYMNSA-N 0 0 493.668 4.865 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1coc(-c2c(F)cccc2F)n1 ZINC001460629976 1067677860 /nfs/dbraw/zinc/67/78/60/1067677860.db2.gz JNYCHXPPMUSMSZ-UHFFFAOYSA-N 0 0 459.250 4.879 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC001460631123 1067678466 /nfs/dbraw/zinc/67/84/66/1067678466.db2.gz GOTAHFLPTPIHBE-UHFFFAOYSA-N 0 0 452.246 4.884 20 0 JJADRN CCCCNC(=O)CN1CCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC001460631465 1067678994 /nfs/dbraw/zinc/67/89/94/1067678994.db2.gz CVAZBNXNTZTEMR-UHFFFAOYSA-N 0 0 457.043 4.651 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001460633782 1067679637 /nfs/dbraw/zinc/67/96/37/1067679637.db2.gz JGOATLKYCPZXFK-CYBMUJFWSA-N 0 0 454.470 4.552 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC001460640604 1067682112 /nfs/dbraw/zinc/68/21/12/1067682112.db2.gz KNOZDKQYZPWIGY-IBGZPJMESA-N 0 0 459.370 4.700 20 0 JJADRN CCOc1cc(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)ccc1OCC(=O)OC ZINC001460642080 1067682644 /nfs/dbraw/zinc/68/26/44/1067682644.db2.gz MMHQIFHISOLPMR-NRFANRHFSA-N 0 0 452.334 4.825 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001460642018 1067682774 /nfs/dbraw/zinc/68/27/74/1067682774.db2.gz LYSOYFYXKXOJEU-MRXNPFEDSA-N 0 0 455.580 4.914 20 0 JJADRN C[C@@H](OC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460646671 1067684596 /nfs/dbraw/zinc/68/45/96/1067684596.db2.gz ZAQYLVAKVUUXDK-OAHLLOKOSA-N 0 0 459.593 4.606 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3coc(-c4ccccc4F)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648646 1067685650 /nfs/dbraw/zinc/68/56/50/1067685650.db2.gz DSKAVDNFQGWDFE-JTHBVZDNSA-N 0 0 467.541 4.982 20 0 JJADRN COC(=O)[C@H](c1ccccc1Cl)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460649971 1067686783 /nfs/dbraw/zinc/68/67/83/1067686783.db2.gz IKUQWRGOFBNMCT-NNWRFLSQSA-N 0 0 474.985 4.555 20 0 JJADRN COc1ccc([C@@H]2CN([C@H](C)c3nc(-c4cccs4)no3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652506 1067688059 /nfs/dbraw/zinc/68/80/59/1067688059.db2.gz RXNIXFLRCQOIFO-AYOQOUSVSA-N 0 0 470.595 4.860 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)C1(c2ccc(C)c(OC)c2)CC1)NC(=O)OC(C)(C)C ZINC001460653845 1067688266 /nfs/dbraw/zinc/68/82/66/1067688266.db2.gz KDRSKASGUKOLCH-QFIPXVFZSA-N 0 0 452.595 4.980 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1 ZINC001460655709 1067689779 /nfs/dbraw/zinc/68/97/79/1067689779.db2.gz RFQQOGJPXXGRDP-GOSISDBHSA-N 0 0 450.848 4.751 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(-c4ccccn4)cc3)CC2=O)ccc1Br ZINC001460665124 1067693052 /nfs/dbraw/zinc/69/30/52/1067693052.db2.gz LUZQXJMROABVSB-QGZVFWFLSA-N 0 0 450.336 4.811 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460666279 1067693462 /nfs/dbraw/zinc/69/34/62/1067693462.db2.gz HVFCOGQMTQLUJP-XCLFUZPHSA-N 0 0 454.439 4.599 20 0 JJADRN C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666669 1067693560 /nfs/dbraw/zinc/69/35/60/1067693560.db2.gz SBPDIQKSOJVOBZ-HIFRSBDPSA-N 0 0 451.311 4.900 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460666211 1067693575 /nfs/dbraw/zinc/69/35/75/1067693575.db2.gz GXOKZJUNGYZXJF-UHFFFAOYSA-N 0 0 455.379 4.656 20 0 JJADRN O=C(CSC[C@@H]1CCCCO1)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666697 1067694017 /nfs/dbraw/zinc/69/40/17/1067694017.db2.gz SMEHZRVBMWQVIQ-GJZGRUSLSA-N 0 0 457.409 4.596 20 0 JJADRN CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F)c1cccc(C(F)(F)F)c1 ZINC001460671054 1067695042 /nfs/dbraw/zinc/69/50/42/1067695042.db2.gz LRHICLJWOKMYRN-CVEARBPZSA-N 0 0 450.448 4.912 20 0 JJADRN Cn1nc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1-c1ccc(F)cc1 ZINC001460672679 1067695576 /nfs/dbraw/zinc/69/55/76/1067695576.db2.gz GDHJDJNCFVDIEG-UHFFFAOYSA-N 0 0 450.695 4.681 20 0 JJADRN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460674701 1067696510 /nfs/dbraw/zinc/69/65/10/1067696510.db2.gz PUVFTQQBWFUCFG-INIZCTEOSA-N 0 0 452.732 4.700 20 0 JJADRN CCOC(=O)c1sc(C2CCN([C@@H](C(=O)OCC)c3cccc(Cl)c3)CC2)nc1C ZINC001460674674 1067696588 /nfs/dbraw/zinc/69/65/88/1067696588.db2.gz DOWIDDBHNKLQCT-GOSISDBHSA-N 0 0 450.988 4.765 20 0 JJADRN CC[C@]1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)OCCc2ccccc21 ZINC001460676294 1067697683 /nfs/dbraw/zinc/69/76/83/1067697683.db2.gz UFOFHNCHRLMHFZ-LADGPHEKSA-N 0 0 457.412 4.580 20 0 JJADRN CC[C@@]1(CNC(=O)c2ccc(Cl)c(I)c2)OCCc2ccccc21 ZINC001460677645 1067698113 /nfs/dbraw/zinc/69/81/13/1067698113.db2.gz ZUYYRAZPNOAZFB-IBGZPJMESA-N 0 0 455.723 4.553 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCC[C@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678997 1067698624 /nfs/dbraw/zinc/69/86/24/1067698624.db2.gz SSMFJGQRGPRRQS-INIZCTEOSA-N 0 0 454.596 4.537 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)CCS1 ZINC001546117811 1067698730 /nfs/dbraw/zinc/69/87/30/1067698730.db2.gz PUGVAPHMQQKFBI-UHFFFAOYSA-N 0 0 491.583 4.872 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)c1 ZINC001460683069 1067700795 /nfs/dbraw/zinc/70/07/95/1067700795.db2.gz RFVYEXJSUXLHMB-NRFANRHFSA-N 0 0 459.587 4.626 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CN[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 ZINC001460685617 1067701423 /nfs/dbraw/zinc/70/14/23/1067701423.db2.gz RZICKIPMWCBXQJ-IBGZPJMESA-N 0 0 459.616 4.540 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)CC1=O ZINC001460688293 1067701962 /nfs/dbraw/zinc/70/19/62/1067701962.db2.gz HVAZBPWJEPZKIA-QWHCGFSZSA-N 0 0 456.848 4.670 20 0 JJADRN COC(=O)c1c(NC(=O)CN2CCC[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 ZINC001460689448 1067702527 /nfs/dbraw/zinc/70/25/27/1067702527.db2.gz VCRGPOFPNJNJGE-INIZCTEOSA-N 0 0 452.498 4.818 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)CCSc2ccc(Br)cc2)n1 ZINC001460690846 1067702906 /nfs/dbraw/zinc/70/29/06/1067702906.db2.gz RUFLFRKHXPWKNP-UHFFFAOYSA-N 0 0 457.415 4.867 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C(F)(F)F ZINC001460691369 1067702919 /nfs/dbraw/zinc/70/29/19/1067702919.db2.gz NBLKZJVYVBXMMZ-ZYHUDNBSSA-N 0 0 457.246 4.843 20 0 JJADRN CN(C)c1ccccc1CN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001460693576 1067703269 /nfs/dbraw/zinc/70/32/69/1067703269.db2.gz SNXNXHJBARLMKF-UHFFFAOYSA-N 0 0 454.308 4.547 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)c3ccccc3n2)o1 ZINC001460694615 1067703351 /nfs/dbraw/zinc/70/33/51/1067703351.db2.gz UJZIOCCFRMVRAB-UHFFFAOYSA-N 0 0 451.429 4.798 20 0 JJADRN Cc1ccc(Oc2ccccc2NC(=O)CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001460698253 1067703760 /nfs/dbraw/zinc/70/37/60/1067703760.db2.gz UGHOKFDYVWHDSC-URXFXBBRSA-N 0 0 458.480 4.850 20 0 JJADRN CC1=CC[C@@](C)(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460710686 1067706436 /nfs/dbraw/zinc/70/64/36/1067706436.db2.gz VWMSTBUBJLJHHZ-AREMUKBSSA-N 0 0 457.615 4.693 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(F)c(F)cc2I)cc1 ZINC001460712426 1067706932 /nfs/dbraw/zinc/70/69/32/1067706932.db2.gz HJNGOEDBKTXSQI-GFCCVEGCSA-N 0 0 459.274 4.577 20 0 JJADRN COC(=O)CC[C@H]1CCCN(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716395 1067707810 /nfs/dbraw/zinc/70/78/10/1067707810.db2.gz GXRDYWRDXAARSB-CYBMUJFWSA-N 0 0 456.395 4.721 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001460723988 1067709686 /nfs/dbraw/zinc/70/96/86/1067709686.db2.gz JSPIEOYTYXCYPD-NYVPOHFXSA-N 0 0 459.011 4.832 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCc3c(F)ccc(Cl)c32)c1 ZINC001460723613 1067709918 /nfs/dbraw/zinc/70/99/18/1067709918.db2.gz KPGREAQHZJJFOE-UHFFFAOYSA-N 0 0 458.942 4.897 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)c2ccccc21 ZINC001460725793 1067710198 /nfs/dbraw/zinc/71/01/98/1067710198.db2.gz JHULLVWXCMAVJZ-HRAATJIYSA-N 0 0 457.521 4.589 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)sc1-c1cccc(Cl)c1 ZINC001460725266 1067710305 /nfs/dbraw/zinc/71/03/05/1067710305.db2.gz FQUVZLKDVLVRJT-QGZVFWFLSA-N 0 0 450.988 4.743 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)c2ccccc21 ZINC001460725796 1067710331 /nfs/dbraw/zinc/71/03/31/1067710331.db2.gz JHULLVWXCMAVJZ-IIBYNOLFSA-N 0 0 457.521 4.589 20 0 JJADRN COCc1ccccc1OC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001460727199 1067710645 /nfs/dbraw/zinc/71/06/45/1067710645.db2.gz GASYWPZFNGZASU-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729406 1067711193 /nfs/dbraw/zinc/71/11/93/1067711193.db2.gz WWPDHNNUAODBKS-XOBRGWDASA-N 0 0 459.812 4.703 20 0 JJADRN CCCn1nc(C)c(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1C ZINC001460736484 1067712195 /nfs/dbraw/zinc/71/21/95/1067712195.db2.gz MVCMXKYGJJQTBJ-UHFFFAOYSA-N 0 0 450.768 4.823 20 0 JJADRN C[C@@H](NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)c1ccc(Cl)cc1 ZINC001460737025 1067712598 /nfs/dbraw/zinc/71/25/98/1067712598.db2.gz MYXWUNWDUWLKFI-OAHLLOKOSA-N 0 0 455.407 4.852 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@H]2C[C@H]2C(C)C)n1-c1ccccc1 ZINC001460737105 1067712607 /nfs/dbraw/zinc/71/26/07/1067712607.db2.gz GRLAMNODAKMWEY-LEWJYISDSA-N 0 0 450.608 4.716 20 0 JJADRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001460740879 1067713062 /nfs/dbraw/zinc/71/30/62/1067713062.db2.gz OKTBNQIIZQSOPC-HXOBKFHXSA-N 0 0 452.551 4.968 20 0 JJADRN Cc1c(C(=O)N2CCCc3cc(F)c(F)c(F)c32)cnn1-c1ccc(Br)cc1 ZINC001460741948 1067713320 /nfs/dbraw/zinc/71/33/20/1067713320.db2.gz OWGIRCQWIMAHPI-UHFFFAOYSA-N 0 0 450.258 4.954 20 0 JJADRN Cc1ccc(C2=NO[C@@H](C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460743738 1067713750 /nfs/dbraw/zinc/71/37/50/1067713750.db2.gz CPMUWPZSNXPXJL-QPTUXGOLSA-N 0 0 481.568 4.537 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001460744087 1067713819 /nfs/dbraw/zinc/71/38/19/1067713819.db2.gz GFKPRXBEMBBUCF-MTEHYEEQSA-N 0 0 452.517 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccnc(Br)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460745655 1067714526 /nfs/dbraw/zinc/71/45/26/1067714526.db2.gz SEZUJNXRJWRZMR-ZWKOTPCHSA-N 0 0 478.362 4.506 20 0 JJADRN Cc1ccccc1C1=NO[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001460747356 1067715166 /nfs/dbraw/zinc/71/51/66/1067715166.db2.gz XYOADMANMPDJRM-QTJGBDASSA-N 0 0 481.568 4.537 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c(Cl)c1 ZINC001460749798 1067715491 /nfs/dbraw/zinc/71/54/91/1067715491.db2.gz OJEWQMJZINTXHC-HNNXBMFYSA-N 0 0 457.937 4.514 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@H]1C(F)(F)F ZINC001460751966 1067716567 /nfs/dbraw/zinc/71/65/67/1067716567.db2.gz RLDHSBFMPRSZAP-SJLPKXTDSA-N 0 0 455.546 4.869 20 0 JJADRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N[C@H]1CCOc2ccc(Br)cc21 ZINC001460752379 1067716621 /nfs/dbraw/zinc/71/66/21/1067716621.db2.gz ZOSLQMJXFNHQDU-PXAZEXFGSA-N 0 0 457.324 4.838 20 0 JJADRN Cc1cc(Br)c(COC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1Cl ZINC001460755263 1067717332 /nfs/dbraw/zinc/71/73/32/1067717332.db2.gz GFNWKPCHPDGQCW-UHFFFAOYSA-N 0 0 452.732 4.882 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)O[C@H](C)c2ncccc2Br)CC[C@H]1c1ccc(C)o1 ZINC001460756798 1067717339 /nfs/dbraw/zinc/71/73/39/1067717339.db2.gz IBEGULVMTRPBTI-VNQPRFMTSA-N 0 0 451.317 4.712 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1(C(=O)OCc2ccccc2)CCC1 ZINC001460757035 1067717722 /nfs/dbraw/zinc/71/77/22/1067717722.db2.gz DWPAHVLNFCKKLS-UHFFFAOYSA-N 0 0 454.523 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC001460758104 1067717754 /nfs/dbraw/zinc/71/77/54/1067717754.db2.gz FKSCOEXUVCBWPP-IFMALSPDSA-N 0 0 455.599 4.603 20 0 JJADRN Cc1c(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001460763606 1067719513 /nfs/dbraw/zinc/71/95/13/1067719513.db2.gz NMYZAMUFNAZLQJ-UHFFFAOYSA-N 0 0 457.452 4.595 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)N3CCCc4c(Cl)ccc(Br)c43)CC2=O)CC1 ZINC001460769134 1067720278 /nfs/dbraw/zinc/72/02/78/1067720278.db2.gz XESDAQSEYSMLOZ-SLTAFYQDSA-N 0 0 453.808 4.809 20 0 JJADRN CCOc1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001460767901 1067720313 /nfs/dbraw/zinc/72/03/13/1067720313.db2.gz SFMIJPRIHZBYGA-VQIMIIECSA-N 0 0 451.995 4.776 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460772060 1067720760 /nfs/dbraw/zinc/72/07/60/1067720760.db2.gz HWEOEMVTXJTWQM-BDJLRTHQSA-N 0 0 459.171 4.640 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC001460770296 1067720768 /nfs/dbraw/zinc/72/07/68/1067720768.db2.gz YOQSOLLRHJHFCA-REWPJTCUSA-N 0 0 452.599 4.823 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001460774571 1067721108 /nfs/dbraw/zinc/72/11/08/1067721108.db2.gz WVMZXMICZFSING-KNQAVFIVSA-N 0 0 450.579 4.708 20 0 JJADRN CC(C)(C)C[C@H](OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC001460786656 1067723327 /nfs/dbraw/zinc/72/33/27/1067723327.db2.gz GBCZNQNLPSGLGH-HIFRSBDPSA-N 0 0 450.295 4.880 20 0 JJADRN CCN(c1ccnc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)n1)C1CCCC1 ZINC001460785529 1067723352 /nfs/dbraw/zinc/72/33/52/1067723352.db2.gz GNTRNIZHAXLFOA-UHFFFAOYSA-N 0 0 458.488 4.761 20 0 JJADRN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC(CCc2ccccc2)CC1 ZINC001460795659 1067724946 /nfs/dbraw/zinc/72/49/46/1067724946.db2.gz YHTUXABVGDPDRO-KRWDZBQOSA-N 0 0 459.512 4.724 20 0 JJADRN CCc1nc(COc2ccc(C(=O)OCc3cc(Cl)cc(Br)c3)cc2)no1 ZINC001460797334 1067725892 /nfs/dbraw/zinc/72/58/92/1067725892.db2.gz RNNJIMOKDZOPGB-UHFFFAOYSA-N 0 0 451.704 4.984 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN2Cc3cc(Br)ccc3OC3(CCC3)C2)n1 ZINC001460803171 1067727104 /nfs/dbraw/zinc/72/71/04/1067727104.db2.gz SYCIVBNHHLUQQL-HNNXBMFYSA-N 0 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CC(C)(C)c1ccc(S(=O)(=O)CCN2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001460816773 1067728948 /nfs/dbraw/zinc/72/89/48/1067728948.db2.gz VSFLKLPMEPIMDB-QHCPKHFHSA-N 0 0 458.027 4.782 20 0 JJADRN CCC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C1CCCC1 ZINC001460816343 1067729005 /nfs/dbraw/zinc/72/90/05/1067729005.db2.gz NLDXBYCVRRVIFE-CQSZACIVSA-N 0 0 454.390 4.769 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)Oc1ccc(Br)c(Cl)c1 ZINC001460819766 1067729501 /nfs/dbraw/zinc/72/95/01/1067729501.db2.gz YELOANYRCXARQW-UTCJRWHESA-N 0 0 453.457 4.919 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460824331 1067729796 /nfs/dbraw/zinc/72/97/96/1067729796.db2.gz BCKZHPMAEAWULF-DLBZAZTESA-N 0 0 458.990 4.656 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC001460824580 1067729869 /nfs/dbraw/zinc/72/98/69/1067729869.db2.gz BUQDPEKSAPYITP-LJQANCHMSA-N 0 0 458.002 4.550 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)COc1cccc(C(F)(F)F)c1)COCC2 ZINC001460827778 1067730500 /nfs/dbraw/zinc/73/05/00/1067730500.db2.gz DCPOCHVGDAANOG-UHFFFAOYSA-N 0 0 457.470 4.812 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC001460828705 1067730776 /nfs/dbraw/zinc/73/07/76/1067730776.db2.gz KCINSJFDMHDZIN-HZPDHXFCSA-N 0 0 450.486 4.521 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(CCOCC(F)(F)C(F)(F)F)C1 ZINC001460831188 1067731028 /nfs/dbraw/zinc/73/10/28/1067731028.db2.gz NPKZEGAMMVKOLB-OAHLLOKOSA-N 0 0 452.464 4.794 20 0 JJADRN CS(=O)(=O)c1c(F)cccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001460830585 1067731140 /nfs/dbraw/zinc/73/11/40/1067731140.db2.gz DVBVOTNMSHBMQP-UHFFFAOYSA-N 0 0 454.310 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2CCSc2ccncc2)c2ccccc21 ZINC001460836030 1067731914 /nfs/dbraw/zinc/73/19/14/1067731914.db2.gz VEFMASRQHVIACL-PMACEKPBSA-N 0 0 455.624 4.804 20 0 JJADRN Cc1c(Br)cccc1CN1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839525 1067732328 /nfs/dbraw/zinc/73/23/28/1067732328.db2.gz 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ZINC001546119671 1067736884 /nfs/dbraw/zinc/73/68/84/1067736884.db2.gz LUGGHLTZIOHVJD-HXUWFJFHSA-N 0 0 486.661 4.858 20 0 JJADRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1cc(Cl)ccc1Sc1ccccc1 ZINC001460865104 1067737148 /nfs/dbraw/zinc/73/71/48/1067737148.db2.gz RTQLFPFIZYOOMN-UHFFFAOYSA-N 0 0 450.994 4.671 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001460863833 1067737185 /nfs/dbraw/zinc/73/71/85/1067737185.db2.gz FFSUDLCOVXXFQM-LOSJGSFVSA-N 0 0 468.519 4.955 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCCc3c(Br)c(F)cc(F)c32)n1 ZINC001460866635 1067737437 /nfs/dbraw/zinc/73/74/37/1067737437.db2.gz MPRWOMNGQMIQEF-UHFFFAOYSA-N 0 0 450.258 4.954 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)c2cccs2)CCS1 ZINC001546119704 1067737617 /nfs/dbraw/zinc/73/76/17/1067737617.db2.gz NGIRVOQWIZGJAK-XMMPIXPASA-N 0 0 486.707 4.981 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1)c1ccccc1 ZINC001460865795 1067737654 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OKBMWFFYFJJLRK-SFHVURJKSA-N 0 0 456.942 4.672 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)CCS1 ZINC001546119792 1067741222 /nfs/dbraw/zinc/74/12/22/1067741222.db2.gz QAWVZRKWZKRURT-LJQANCHMSA-N 0 0 462.733 4.783 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CCS1 ZINC001546119809 1067741268 /nfs/dbraw/zinc/74/12/68/1067741268.db2.gz QSBHXDYESKGSNS-QGZVFWFLSA-N 0 0 456.685 4.945 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC001460885738 1067742644 /nfs/dbraw/zinc/74/26/44/1067742644.db2.gz CNNQIPRUSUFQHW-QFIPXVFZSA-N 0 0 458.436 4.940 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001460887976 1067743423 /nfs/dbraw/zinc/74/34/23/1067743423.db2.gz QTSZGZNEMKVEBO-NHCUHLMSSA-N 0 0 454.571 4.629 20 0 JJADRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889087 1067743739 /nfs/dbraw/zinc/74/37/39/1067743739.db2.gz KDNWVYRBMDISRF-YCRPNKLZSA-N 0 0 451.792 4.722 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)n1)N1CCCc2c(Cl)ccc(Cl)c21 ZINC001460893370 1067744801 /nfs/dbraw/zinc/74/48/01/1067744801.db2.gz DEQFRMWZFSSQOR-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2c(F)cc(I)cc2F)c(OC)c1 ZINC001460898925 1067745430 /nfs/dbraw/zinc/74/54/30/1067745430.db2.gz SFDSRNVGTOBYLW-ONEGZZNKSA-N 0 0 459.230 4.629 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001460904667 1067745912 /nfs/dbraw/zinc/74/59/12/1067745912.db2.gz ISZUFLDBVCPHEU-CXAGYDPISA-N 0 0 457.384 4.671 20 0 JJADRN C[C@](CO)(NCC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC001460912683 1067747088 /nfs/dbraw/zinc/74/70/88/1067747088.db2.gz WBJUIABPIRIAIF-HSZRJFAPSA-N 0 0 455.352 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001460914760 1067747334 /nfs/dbraw/zinc/74/73/34/1067747334.db2.gz BDPABMQCSMOSCM-AREMUKBSSA-N 0 0 451.567 4.893 20 0 JJADRN CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001460915684 1067747483 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MAHJSFWEVJWVKQ-CYBMUJFWSA-N 0 0 457.290 4.978 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCCc2ccc(Br)cc2)c1 ZINC001460938982 1067751232 /nfs/dbraw/zinc/75/12/32/1067751232.db2.gz PBXKWVJDYAYLSP-UHFFFAOYSA-N 0 0 458.805 4.535 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN2CCCc3c(Br)cccc32)c(OC)c1 ZINC001460941461 1067751623 /nfs/dbraw/zinc/75/16/23/1067751623.db2.gz WWGZJRSWHVNBMJ-NRFANRHFSA-N 0 0 459.384 4.583 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)NCc1cc(Cl)cc(Br)c1 ZINC001460945563 1067751994 /nfs/dbraw/zinc/75/19/94/1067751994.db2.gz BEJLXMMHWVTFBX-UHFFFAOYSA-N 0 0 457.553 4.751 20 0 JJADRN CC(C)(C)C[C@H]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001460951264 1067752679 /nfs/dbraw/zinc/75/26/79/1067752679.db2.gz AZYXNBHUSARXSW-GFCCVEGCSA-N 0 0 459.310 4.947 20 0 JJADRN C/C(=C/C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1OC(F)F ZINC001460952769 1067753108 /nfs/dbraw/zinc/75/31/08/1067753108.db2.gz NTHBZVQDXVZKRU-SSCKCOOKSA-N 0 0 452.420 4.653 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)C(F)(F)F ZINC001460953858 1067753195 /nfs/dbraw/zinc/75/31/95/1067753195.db2.gz SDAXNQJOMIOXPH-SFHVURJKSA-N 0 0 450.457 4.886 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC001460958467 1067753481 /nfs/dbraw/zinc/75/34/81/1067753481.db2.gz XIGJGOLSIQEECW-QFIPXVFZSA-N 0 0 451.364 4.935 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21)c1ccncc1 ZINC001460955464 1067753494 /nfs/dbraw/zinc/75/34/94/1067753494.db2.gz AGFMBSNALQQACX-VWLOTQADSA-N 0 0 455.514 4.730 20 0 JJADRN CCc1c(C(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)nnn1-c1cccc(Cl)c1 ZINC001460961094 1067753617 /nfs/dbraw/zinc/75/36/17/1067753617.db2.gz LLXJWBNCKGZCRE-UHFFFAOYSA-N 0 0 451.329 4.564 20 0 JJADRN C[C@@H]1C[C@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)[C@@H](C)O1 ZINC001460963566 1067753938 /nfs/dbraw/zinc/75/39/38/1067753938.db2.gz RUKHMDKPFDGDAE-IJLUTSLNSA-N 0 0 451.823 4.723 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 ZINC001460966738 1067754178 /nfs/dbraw/zinc/75/41/78/1067754178.db2.gz WTLXBGLHJNTJJA-QGZVFWFLSA-N 0 0 454.792 4.965 20 0 JJADRN CC(C)(C)n1cncc1[C@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC001460974677 1067755124 /nfs/dbraw/zinc/75/51/24/1067755124.db2.gz OPBXPJAAIGMWJO-SFHVURJKSA-N 0 0 455.603 4.643 20 0 JJADRN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001460980353 1067756558 /nfs/dbraw/zinc/75/65/58/1067756558.db2.gz OVLPONPDTDOTQM-UHFFFAOYSA-N 0 0 457.939 4.891 20 0 JJADRN COc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC001460987258 1067758122 /nfs/dbraw/zinc/75/81/22/1067758122.db2.gz JHFGVDMHOBMUOZ-ZDUSSCGKSA-N 0 0 458.363 4.642 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC001460990012 1067758472 /nfs/dbraw/zinc/75/84/72/1067758472.db2.gz YFVUGPICTMOUIK-YKSBVNFPSA-N 0 0 454.636 4.966 20 0 JJADRN C[C@@H](CC(=O)OCc1c(Br)cc(F)c(F)c1F)n1cc(Br)cn1 ZINC001460991924 1067758939 /nfs/dbraw/zinc/75/89/39/1067758939.db2.gz BQCWDKAJCSWJOP-ZETCQYMHSA-N 0 0 456.056 4.520 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C ZINC001460998371 1067760272 /nfs/dbraw/zinc/76/02/72/1067760272.db2.gz XDZIUEHSEBNUHP-UHFFFAOYSA-N 0 0 451.571 4.541 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F ZINC001460997848 1067760290 /nfs/dbraw/zinc/76/02/90/1067760290.db2.gz WFFUFILAIFLVQT-UHFFFAOYSA-N 0 0 452.429 4.865 20 0 JJADRN CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(F)c1 ZINC001461002660 1067760516 /nfs/dbraw/zinc/76/05/16/1067760516.db2.gz XIMHFQOZKFSBCY-KRWDZBQOSA-N 0 0 450.510 4.877 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)c1cccnc1SCc1cc(C)on1 ZINC001461002019 1067760639 /nfs/dbraw/zinc/76/06/39/1067760639.db2.gz QYRAKSNPZWKIHX-UHFFFAOYSA-N 0 0 452.305 4.833 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)Cc2ccc(Br)cc2C)c1C ZINC001461003519 1067760863 /nfs/dbraw/zinc/76/08/63/1067760863.db2.gz KMUYQMKRMCTDKZ-UHFFFAOYSA-N 0 0 455.146 4.796 20 0 JJADRN COc1cc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc(OC)c1Br ZINC001461010504 1067761597 /nfs/dbraw/zinc/76/15/97/1067761597.db2.gz PMLGPOFGCVMKOH-UHFFFAOYSA-N 0 0 453.358 4.612 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(Br)c(OC)c2)c1C ZINC001461007399 1067761688 /nfs/dbraw/zinc/76/16/88/1067761688.db2.gz XKNGVPYYTKPILD-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN COc1ccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Br)c(Cl)c1OC ZINC001461015584 1067762329 /nfs/dbraw/zinc/76/23/29/1067762329.db2.gz DNGDQDRFVKMLTQ-MRXNPFEDSA-N 0 0 452.776 4.896 20 0 JJADRN O=C(COc1ccc(Br)cc1)N1CCC[C@H]1Cc1ccccc1Br ZINC001461014630 1067762333 /nfs/dbraw/zinc/76/23/33/1067762333.db2.gz BMNRXDFNBGRMMF-INIZCTEOSA-N 0 0 453.174 4.824 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC001461017882 1067762642 /nfs/dbraw/zinc/76/26/42/1067762642.db2.gz VOGZICWBZYVMFS-MRXNPFEDSA-N 0 0 451.311 4.733 20 0 JJADRN COC(=O)c1c2c(sc1NC(=O)c1sc(-c3ccccc3)nc1C(F)F)COCC2 ZINC001461021555 1067763422 /nfs/dbraw/zinc/76/34/22/1067763422.db2.gz KLQBCAJBQUQEGP-UHFFFAOYSA-N 0 0 450.488 4.921 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CCS1 ZINC001546120901 1067763758 /nfs/dbraw/zinc/76/37/58/1067763758.db2.gz DDQOUCFLUMZOTD-MGBGTMOVSA-N 0 0 494.727 4.525 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ncc(-c2cnccn2)s1 ZINC001461024455 1067763959 /nfs/dbraw/zinc/76/39/59/1067763959.db2.gz RHRXYNQCJGZZDS-UHFFFAOYSA-N 0 0 450.907 4.502 20 0 JJADRN COc1cc(CCC(=O)N2CCc3c2cccc3Br)ccc1OCC(F)(F)F ZINC001461033454 1067766149 /nfs/dbraw/zinc/76/61/49/1067766149.db2.gz XGQPYPYQEZZNBG-UHFFFAOYSA-N 0 0 458.274 4.921 20 0 JJADRN COC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)nc2C1 ZINC001461034613 1067766265 /nfs/dbraw/zinc/76/62/65/1067766265.db2.gz YLBJSHHEDBCIPA-QRWLVFNGSA-N 0 0 456.951 4.833 20 0 JJADRN O=C(c1cn(CCc2ccccc2)nn1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461035129 1067766294 /nfs/dbraw/zinc/76/62/94/1067766294.db2.gz BCRXALRCXBSQSO-NRFANRHFSA-N 0 0 453.384 4.521 20 0 JJADRN O=C(c1cn(CCc2ccccc2)nn1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461035136 1067766661 /nfs/dbraw/zinc/76/66/61/1067766661.db2.gz BCRXALRCXBSQSO-OAQYLSRUSA-N 0 0 453.384 4.521 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461036828 1067766967 /nfs/dbraw/zinc/76/69/67/1067766967.db2.gz HNQQTSNDCFJIPX-YCPHGPKFSA-N 0 0 457.384 4.529 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1Cl ZINC001461036905 1067767015 /nfs/dbraw/zinc/76/70/15/1067767015.db2.gz HVKBCAZTDAIYFL-NUJGCVRESA-N 0 0 454.011 4.781 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)s1 ZINC001461037968 1067767212 /nfs/dbraw/zinc/76/72/12/1067767212.db2.gz CVZPFNRMOGAZIE-QCUKBLKESA-N 0 0 458.486 4.949 20 0 JJADRN O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC001461039037 1067767704 /nfs/dbraw/zinc/76/77/04/1067767704.db2.gz IUCZCSFQPUFRIZ-UHFFFAOYSA-N 0 0 452.139 4.756 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461041394 1067767931 /nfs/dbraw/zinc/76/79/31/1067767931.db2.gz OTVGEBRMJSDGDZ-QFQXNSOFSA-N 0 0 454.542 4.607 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC001461040667 1067767956 /nfs/dbraw/zinc/76/79/56/1067767956.db2.gz OCRUGGFVZLTGPX-SCTDSRPQSA-N 0 0 456.583 4.884 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC001461040664 1067767973 /nfs/dbraw/zinc/76/79/73/1067767973.db2.gz OCRUGGFVZLTGPX-LNLFQRSKSA-N 0 0 456.583 4.884 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC001461040660 1067768042 /nfs/dbraw/zinc/76/80/42/1067768042.db2.gz OCRUGGFVZLTGPX-LMMKCTJWSA-N 0 0 456.583 4.884 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461049538 1067769203 /nfs/dbraw/zinc/76/92/03/1067769203.db2.gz FRGARXZMZWCYTI-XXTHSBEZSA-N 0 0 470.407 4.823 20 0 JJADRN C[C@@H](NCc1ccc(F)cc1I)c1ccc(NC(=O)NC2CC2)cc1 ZINC001461050547 1067769610 /nfs/dbraw/zinc/76/96/10/1067769610.db2.gz IDSLFYUFJVKPBT-GFCCVEGCSA-N 0 0 453.299 4.565 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(F)cc2Br)C[C@H]1c1ccc(F)cc1F ZINC001461050394 1067769659 /nfs/dbraw/zinc/76/96/59/1067769659.db2.gz NURAWMBFKYMNMD-QWHCGFSZSA-N 0 0 476.676 4.549 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461052896 1067770584 /nfs/dbraw/zinc/77/05/84/1067770584.db2.gz VTNBMEXLKXYEMW-RBUKOAKNSA-N 0 0 453.938 4.906 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCC(C)(C)c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461054336 1067770989 /nfs/dbraw/zinc/77/09/89/1067770989.db2.gz ZEXFFUALVQPKAY-LEWJYISDSA-N 0 0 458.396 4.922 20 0 JJADRN CCc1cc(Br)cc2c1N(C(=O)Cc1csc(NC(=O)C(C)C)n1)CCC2 ZINC001461055085 1067771038 /nfs/dbraw/zinc/77/10/38/1067771038.db2.gz OKDSVCNFRXAOCJ-UHFFFAOYSA-N 0 0 450.402 4.584 20 0 JJADRN CC[C@@H](CC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1)c1ccc(OC)cc1 ZINC001461053652 1067771055 /nfs/dbraw/zinc/77/10/55/1067771055.db2.gz VHSXYQBJJIBAIF-WQTXXOFMSA-N 0 0 474.395 4.757 20 0 JJADRN O=C(c1ccc(I)cc1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001461056106 1067771304 /nfs/dbraw/zinc/77/13/04/1067771304.db2.gz DJKZVFOLTUKNOF-UHFFFAOYSA-N 0 0 452.361 4.646 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)NC1(c2ccc(C)cc2Br)CCCCC1 ZINC001461059041 1067772207 /nfs/dbraw/zinc/77/22/07/1067772207.db2.gz PGWMCDXCDQPXDQ-UHFFFAOYSA-N 0 0 454.386 4.652 20 0 JJADRN CC(C)C[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)C(=O)OC(C)(C)C ZINC001461059971 1067772471 /nfs/dbraw/zinc/77/24/71/1067772471.db2.gz AMSKVJJFKYIOJD-QGZVFWFLSA-N 0 0 453.023 4.736 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)c2c1C ZINC001461060079 1067772541 /nfs/dbraw/zinc/77/25/41/1067772541.db2.gz BHIHHSRACMBIQT-INIZCTEOSA-N 0 0 451.658 4.829 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CNc2ccc(NC(C)=O)c(OC)c2)cc1Br ZINC001461060796 1067772931 /nfs/dbraw/zinc/77/29/31/1067772931.db2.gz MDYAQMZMGHKCRS-LBPRGKRZSA-N 0 0 455.324 4.849 20 0 JJADRN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)c(I)c1 ZINC001461064626 1067773826 /nfs/dbraw/zinc/77/38/26/1067773826.db2.gz DSCWGBJLYLFDSV-UHFFFAOYSA-N 0 0 453.667 4.566 20 0 JJADRN CCn1c(Br)c(Br)nc1CNc1cccc(Oc2cnccn2)c1 ZINC001461065057 1067774263 /nfs/dbraw/zinc/77/42/63/1067774263.db2.gz MRFVIHFPLHQWRA-UHFFFAOYSA-N 0 0 453.138 4.622 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2OC(F)(F)F)C1 ZINC001461064931 1067774400 /nfs/dbraw/zinc/77/44/00/1067774400.db2.gz OLYHHNQWQGWKOC-NEPJUHHUSA-N 0 0 451.283 4.571 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)Nc3ccc(Cl)c(I)c3)C2)c1 ZINC001461066444 1067774635 /nfs/dbraw/zinc/77/46/35/1067774635.db2.gz KWENVFSMLOILCX-KRWDZBQOSA-N 0 0 454.695 4.693 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC001461068814 1067775492 /nfs/dbraw/zinc/77/54/92/1067775492.db2.gz WDFGVOAKGVPUPY-UHFFFAOYSA-N 0 0 459.686 4.771 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001461069297 1067775503 /nfs/dbraw/zinc/77/55/03/1067775503.db2.gz MCDPVLXDWXIEEU-LJQANCHMSA-N 0 0 454.567 4.725 20 0 JJADRN CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001461070325 1067775776 /nfs/dbraw/zinc/77/57/76/1067775776.db2.gz BJIKZPPPCCWLPR-JXMROGBWSA-N 0 0 450.844 4.517 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461071147 1067775781 /nfs/dbraw/zinc/77/57/81/1067775781.db2.gz OMJKTJNIXZPNHP-IBGZPJMESA-N 0 0 454.567 4.970 20 0 JJADRN COc1ccccc1OCC(=O)Nc1cccc(NCc2nccc(C)c2Br)c1 ZINC001461074303 1067776372 /nfs/dbraw/zinc/77/63/72/1067776372.db2.gz XOMRNBPIFNYREQ-UHFFFAOYSA-N 0 0 456.340 4.791 20 0 JJADRN O=C(CCOc1ccc(F)c(Cl)c1)NCc1c(F)c(F)c(Br)c(F)c1F ZINC001461076781 1067777076 /nfs/dbraw/zinc/77/70/76/1067777076.db2.gz JZMCLGWTGQXTMP-UHFFFAOYSA-N 0 0 458.608 4.883 20 0 JJADRN O=C(NCc1cc(Cl)cc(I)c1)c1cc(-c2ccccc2F)on1 ZINC001461076835 1067777140 /nfs/dbraw/zinc/77/71/40/1067777140.db2.gz STBGAWZFDUUWEO-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001461078940 1067777745 /nfs/dbraw/zinc/77/77/45/1067777745.db2.gz KNKQVBLLFITXSL-UHFFFAOYSA-N 0 0 450.326 4.936 20 0 JJADRN O=C(Cc1coc2c1ccc(F)c2F)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461088202 1067779526 /nfs/dbraw/zinc/77/95/26/1067779526.db2.gz VDHAYIHPCCLVPK-AWEZNQCLSA-N 0 0 451.267 4.623 20 0 JJADRN CCN(C(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC001461089387 1067779765 /nfs/dbraw/zinc/77/97/65/1067779765.db2.gz MVOVHJZEMRLEJV-UHFFFAOYSA-N 0 0 454.514 4.901 20 0 JJADRN CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001461089431 1067779939 /nfs/dbraw/zinc/77/99/39/1067779939.db2.gz NKLNROAQRWIBDP-UHFFFAOYSA-N 0 0 450.276 4.538 20 0 JJADRN CN1CCN(C(=O)Cc2ccc(NCc3cccc(OCCCc4ccccc4)c3)cc2)CC1 ZINC001461092696 1067780670 /nfs/dbraw/zinc/78/06/70/1067780670.db2.gz IHHUPYQFEIWSIU-UHFFFAOYSA-N 0 0 457.618 4.627 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C)cc3C)CC(C)C)C2)cc1 ZINC001461098954 1067781674 /nfs/dbraw/zinc/78/16/74/1067781674.db2.gz GKOHDSVBYYJXDZ-DEOSSOPVSA-N 0 0 456.652 4.697 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(C)c1 ZINC001461101425 1067781950 /nfs/dbraw/zinc/78/19/50/1067781950.db2.gz RNDSTVRVIQXIED-QFIPXVFZSA-N 0 0 457.014 4.869 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(C)c1 ZINC001461101415 1067781960 /nfs/dbraw/zinc/78/19/60/1067781960.db2.gz RJHZWARRWZMMRX-RUZDIDTESA-N 0 0 450.623 4.996 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(C)c1 ZINC001461101416 1067782000 /nfs/dbraw/zinc/78/20/00/1067782000.db2.gz RJHZWARRWZMMRX-VWLOTQADSA-N 0 0 450.623 4.996 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001461103910 1067782363 /nfs/dbraw/zinc/78/23/63/1067782363.db2.gz GLMWVUSDQNTSOZ-DVECYGJZSA-N 0 0 450.560 4.996 20 0 JJADRN O=C(Cc1cc(-c2ccccc2)on1)OCc1cc(Cl)ccc1I ZINC001461103432 1067782446 /nfs/dbraw/zinc/78/24/46/1067782446.db2.gz LCVXNZHEZJDIKV-UHFFFAOYSA-N 0 0 453.663 4.886 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)OCc3cc(F)cc(N4CCOCC4)c3)cs2)cc1 ZINC001461107296 1067783064 /nfs/dbraw/zinc/78/30/64/1067783064.db2.gz LEZPPMZFXFQSSG-UHFFFAOYSA-N 0 0 456.539 4.932 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001461108949 1067783448 /nfs/dbraw/zinc/78/34/48/1067783448.db2.gz XAQJORGYBXTZKM-HXUWFJFHSA-N 0 0 454.615 4.938 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc(Cl)cc1 ZINC001461110297 1067783804 /nfs/dbraw/zinc/78/38/04/1067783804.db2.gz BVBIBTZBIMFXRE-FXAWDEMLSA-N 0 0 455.839 4.948 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c2c1CCC2 ZINC001461113995 1067784157 /nfs/dbraw/zinc/78/41/57/1067784157.db2.gz AXLCKDGAQRXEOM-QYZOEREBSA-N 0 0 452.599 4.528 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC001461115151 1067784458 /nfs/dbraw/zinc/78/44/58/1067784458.db2.gz OGRMAXKPEWJLRW-UHFFFAOYSA-N 0 0 450.029 4.830 20 0 JJADRN O=C(OCc1cc(F)cc(N2CCOCC2)c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001461116273 1067784565 /nfs/dbraw/zinc/78/45/65/1067784565.db2.gz UOAIJOJWWAOAMG-UHFFFAOYSA-N 0 0 455.432 4.529 20 0 JJADRN O=C(OCc1cc(F)cc(N2CCOCC2)c1)c1cc2ccc(Br)cc2s1 ZINC001461117114 1067784824 /nfs/dbraw/zinc/78/48/24/1067784824.db2.gz YRDLOUBOFGJJAR-UHFFFAOYSA-N 0 0 450.329 4.997 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 ZINC001461123604 1067785750 /nfs/dbraw/zinc/78/57/50/1067785750.db2.gz YXHIUUUWIBXTIQ-UHFFFAOYSA-N 0 0 458.873 4.593 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001461127115 1067786652 /nfs/dbraw/zinc/78/66/52/1067786652.db2.gz XRLOPLLWSQXRFT-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)CCC1 ZINC001461127547 1067786669 /nfs/dbraw/zinc/78/66/69/1067786669.db2.gz ZXMCPPIVTSRONB-UHFFFAOYSA-N 0 0 452.374 4.808 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)CN2c3ccccc3Sc3ccccc32)CCOCC1 ZINC001461131795 1067787411 /nfs/dbraw/zinc/78/74/11/1067787411.db2.gz FLQGYMFFDHSVSK-UHFFFAOYSA-N 0 0 454.592 4.544 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)[C@@H]1SC ZINC001461137113 1067787909 /nfs/dbraw/zinc/78/79/09/1067787909.db2.gz VOZMXBHCHCAWTC-HRYLBOCVSA-N 0 0 458.649 4.566 20 0 JJADRN COc1cc(CNc2cc(-c3ccc(Cl)cc3)nn2CCO)c(F)cc1Br ZINC001461140477 1067788301 /nfs/dbraw/zinc/78/83/01/1067788301.db2.gz RLDLDBRPKMCDEO-UHFFFAOYSA-N 0 0 454.727 4.718 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)C(=O)NCc1cccs1 ZINC001461154424 1067790258 /nfs/dbraw/zinc/79/02/58/1067790258.db2.gz BUSJRXDLNZMBCT-HSZRJFAPSA-N 0 0 458.587 4.734 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CC2=O)ccc1F ZINC001461155182 1067790586 /nfs/dbraw/zinc/79/05/86/1067790586.db2.gz FDYVONSYSYDVNX-FQEVSTJZSA-N 0 0 450.485 4.522 20 0 JJADRN CC[C@H](NC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1)C(=O)NCc1cccs1 ZINC001461158504 1067790961 /nfs/dbraw/zinc/79/09/61/1067790961.db2.gz SSOHIFVENGIMDA-QHCPKHFHSA-N 0 0 458.587 4.734 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(=O)OC ZINC001461159378 1067791034 /nfs/dbraw/zinc/79/10/34/1067791034.db2.gz FBVAGGZBIYYWHP-MEDUHNTESA-N 0 0 453.402 4.897 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)cnc21 ZINC001461157148 1067791042 /nfs/dbraw/zinc/79/10/42/1067791042.db2.gz LUMVVYHRMGFDDO-UHFFFAOYSA-N 0 0 458.415 4.635 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001461160395 1067791351 /nfs/dbraw/zinc/79/13/51/1067791351.db2.gz YZNVMDKMCCPMRX-WOIUINJBSA-N 0 0 455.396 4.530 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)cc1 ZINC001461167775 1067791972 /nfs/dbraw/zinc/79/19/72/1067791972.db2.gz SJVHKYJIIFWEKZ-UHFFFAOYSA-N 0 0 450.866 4.568 20 0 JJADRN FC(F)Oc1ccc(Br)cc1CNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461179333 1067793935 /nfs/dbraw/zinc/79/39/35/1067793935.db2.gz FNJXYNYKLHBIJP-UHFFFAOYSA-N 0 0 454.237 4.892 20 0 JJADRN CC[C@H]1C[C@H](CC(=O)Nc2cccc(Br)c2I)CCO1 ZINC001461183801 1067794519 /nfs/dbraw/zinc/79/45/19/1067794519.db2.gz DPTGLWOGEOIOOT-MNOVXSKESA-N 0 0 452.130 4.588 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)[C@H]1c1ccc(F)cc1 ZINC001461183903 1067794531 /nfs/dbraw/zinc/79/45/31/1067794531.db2.gz FWLHEMYLULHMCD-VBKZILBWSA-N 0 0 476.733 4.948 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001461188080 1067795646 /nfs/dbraw/zinc/79/56/46/1067795646.db2.gz GCFARXNAFABIBC-LZNRXBQRSA-N 0 0 456.608 4.635 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001461188478 1067795687 /nfs/dbraw/zinc/79/56/87/1067795687.db2.gz GPWMAJDOPIROGA-HXUWFJFHSA-N 0 0 453.539 4.858 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)Nc3ccccc3OCCC(C)C)n2)CCCCCC1 ZINC001461190836 1067796316 /nfs/dbraw/zinc/79/63/16/1067796316.db2.gz VLCJEFMQTWWUEZ-UHFFFAOYSA-N 0 0 456.587 4.751 20 0 JJADRN COc1ccc([C@@H](NCc2nc(Br)c[nH]2)c2ccccc2)cc1Br ZINC001461192041 1067796463 /nfs/dbraw/zinc/79/64/63/1067796463.db2.gz ZDEGEWZDBLRBQR-SFHVURJKSA-N 0 0 451.162 4.823 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cc(Br)cc2c1OCCO2 ZINC001461200473 1067798244 /nfs/dbraw/zinc/79/82/44/1067798244.db2.gz FMGAXNJBANBSTO-UHFFFAOYSA-N 0 0 458.230 4.538 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C)Cc2ccccn2)cc1NC(=O)c1ccc(Br)cc1 ZINC001461201649 1067798715 /nfs/dbraw/zinc/79/87/15/1067798715.db2.gz GCWUGQSDJPPPMN-MRXNPFEDSA-N 0 0 452.352 4.766 20 0 JJADRN CN(C)c1cccc(Cl)c1CNCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001461210047 1067799666 /nfs/dbraw/zinc/79/96/66/1067799666.db2.gz ZSIVARWJZMPUFD-UHFFFAOYSA-N 0 0 459.837 4.511 20 0 JJADRN COc1ccc([C@@H](NCc2ccc3c(c2)sc(=O)n3C)c2ccc(OC)cc2OC)cc1 ZINC001461209655 1067799757 /nfs/dbraw/zinc/79/97/57/1067799757.db2.gz UYVKTZZWTIMWFC-XMMPIXPASA-N 0 0 450.560 4.505 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001461214484 1067800723 /nfs/dbraw/zinc/80/07/23/1067800723.db2.gz DEIYJHNZQBBPCJ-RTBURBONSA-N 0 0 455.860 4.566 20 0 JJADRN Cc1ccc([C@H](NCc2cncc(Br)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001461220002 1067802194 /nfs/dbraw/zinc/80/21/94/1067802194.db2.gz WSWVSUBQYKMNCW-JOCHJYFZSA-N 0 0 459.409 4.744 20 0 JJADRN O=C(c1cncc(OCC(F)F)c1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001461223004 1067802957 /nfs/dbraw/zinc/80/29/57/1067802957.db2.gz HHOLGDFEHFCCMH-UHFFFAOYSA-N 0 0 450.700 4.648 20 0 JJADRN COc1ccc(C(=O)Oc2cccc3sccc32)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001461222622 1067803062 /nfs/dbraw/zinc/80/30/62/1067803062.db2.gz MPPQJOMKROUSKW-IYBDPMFKSA-N 0 0 459.589 4.796 20 0 JJADRN COc1cc(NC(=O)c2cnn(Cc3ccccc3)c2Br)cc(Cl)c1OC ZINC001461223763 1067803566 /nfs/dbraw/zinc/80/35/66/1067803566.db2.gz SQXPRNWTIFXNHT-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001461230096 1067804760 /nfs/dbraw/zinc/80/47/60/1067804760.db2.gz PJQJEKBLEPJQAO-UHFFFAOYSA-N 0 0 456.411 4.874 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001461229633 1067804770 /nfs/dbraw/zinc/80/47/70/1067804770.db2.gz DWHSWKTXAATZSW-ALKREAHSSA-N 0 0 450.963 4.881 20 0 JJADRN Cc1c(C(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 ZINC001461236843 1067806285 /nfs/dbraw/zinc/80/62/85/1067806285.db2.gz BQFCZGUANAYPTA-UHFFFAOYSA-N 0 0 452.921 4.989 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC001461244527 1067808318 /nfs/dbraw/zinc/80/83/18/1067808318.db2.gz NWIAKSKEFCUZHF-ZGFBMJKBSA-N 0 0 454.655 4.784 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@H]2CCC3(CCCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461246501 1067808969 /nfs/dbraw/zinc/80/89/69/1067808969.db2.gz UIXJGAYARUWRQD-QZTJIDSGSA-N 0 0 451.995 4.607 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@@H]2CCC3(CCCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461246506 1067808979 /nfs/dbraw/zinc/80/89/79/1067808979.db2.gz UIXJGAYARUWRQD-ZWKOTPCHSA-N 0 0 451.995 4.607 20 0 JJADRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)cc1 ZINC001461249273 1067809476 /nfs/dbraw/zinc/80/94/76/1067809476.db2.gz YRGWHTZDAXRQAH-NFQMXDRXSA-N 0 0 450.579 4.846 20 0 JJADRN COC(OC)[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1 ZINC001461257228 1067812086 /nfs/dbraw/zinc/81/20/86/1067812086.db2.gz UYHWWTXNLSILPU-NRFANRHFSA-N 0 0 459.340 4.513 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461262686 1067813553 /nfs/dbraw/zinc/81/35/53/1067813553.db2.gz GBBOYZRRYUBFHE-UHFFFAOYSA-N 0 0 456.731 4.924 20 0 JJADRN COc1cc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)ccc1Cl ZINC001461262411 1067813662 /nfs/dbraw/zinc/81/36/62/1067813662.db2.gz HWZJLRVKHNIGDP-JOCHJYFZSA-N 0 0 451.922 4.910 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)Nc3cnn(-c4ccccc4C)c3C(F)F)CC2=O)cc1 ZINC001461268288 1067814548 /nfs/dbraw/zinc/81/45/48/1067814548.db2.gz ACRWEWQYSCFPGJ-HNNXBMFYSA-N 0 0 456.518 4.832 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461270727 1067815037 /nfs/dbraw/zinc/81/50/37/1067815037.db2.gz ZYBJVIBRZZRGBW-OAHLLOKOSA-N 0 0 451.324 4.721 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)c2ccccc21 ZINC001461281793 1067817160 /nfs/dbraw/zinc/81/71/60/1067817160.db2.gz GUOYXKPCNRBBMS-LOSJGSFVSA-N 0 0 458.558 4.890 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c2ccccc21 ZINC001461281456 1067817176 /nfs/dbraw/zinc/81/71/76/1067817176.db2.gz FVMCGRWUYVLBBS-GHTZIAJQSA-N 0 0 454.954 4.767 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001461284484 1067818098 /nfs/dbraw/zinc/81/80/98/1067818098.db2.gz AFMQKMBRLFDSKZ-ZIAGYGMSSA-N 0 0 453.370 4.697 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CCCC1 ZINC001461288310 1067819188 /nfs/dbraw/zinc/81/91/88/1067819188.db2.gz VTHRFFPZKUYOGS-UXHICEINSA-N 0 0 458.599 4.758 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001461291446 1067819930 /nfs/dbraw/zinc/81/99/30/1067819930.db2.gz DTYJGUXCPLYSDO-QWHCGFSZSA-N 0 0 459.356 4.505 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC001461293423 1067820263 /nfs/dbraw/zinc/82/02/63/1067820263.db2.gz IMMMPXYVLZUTDT-UHFFFAOYSA-N 0 0 452.002 4.515 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NCc2cnc3c(C)cc(Br)cn23)cc1 ZINC001461294044 1067820828 /nfs/dbraw/zinc/82/08/28/1067820828.db2.gz NDBSEWLAIBREBD-UHFFFAOYSA-N 0 0 451.390 4.559 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001461295810 1067821141 /nfs/dbraw/zinc/82/11/41/1067821141.db2.gz CIXHBMHMVRQWEH-UHFFFAOYSA-N 0 0 459.612 4.744 20 0 JJADRN COc1ccc(NCc2sc(Sc3ccccc3)nc2Cl)cc1NS(C)(=O)=O ZINC001461303997 1067823679 /nfs/dbraw/zinc/82/36/79/1067823679.db2.gz SHSLNVRKGCAAMO-UHFFFAOYSA-N 0 0 456.014 4.940 20 0 JJADRN COCCN(C(=O)CC(C1CCC1)C1CCC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461310824 1067825542 /nfs/dbraw/zinc/82/55/42/1067825542.db2.gz LOEQERJHAMWPDH-UHFFFAOYSA-N 0 0 456.627 4.869 20 0 JJADRN CC1CCN(c2ccc(NCc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001461313728 1067825903 /nfs/dbraw/zinc/82/59/03/1067825903.db2.gz NJWDICQRDJVWQN-JOCHJYFZSA-N 0 0 454.619 4.699 20 0 JJADRN CC1CCN(c2ccc(NCc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001461313733 1067825996 /nfs/dbraw/zinc/82/59/96/1067825996.db2.gz NJWDICQRDJVWQN-QFIPXVFZSA-N 0 0 454.619 4.699 20 0 JJADRN CCN1CCN(C(=O)Cc2ccc(NCc3oc4ccccc4c3Br)cc2)CC1 ZINC001461316116 1067826460 /nfs/dbraw/zinc/82/64/60/1067826460.db2.gz RJFCLFVCMIWUKW-UHFFFAOYSA-N 0 0 456.384 4.514 20 0 JJADRN Cc1cc(C)c2c(c1)N(C(=O)c1cccc(NC(=O)c3ccc(Br)o3)c1)CCO2 ZINC001461315571 1067826474 /nfs/dbraw/zinc/82/64/74/1067826474.db2.gz IQCRDTQYKYJRPK-UHFFFAOYSA-N 0 0 455.308 4.950 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNc1ccn(-c2ncccc2C(F)(F)F)n1)CC(F)(F)F ZINC001461322997 1067827717 /nfs/dbraw/zinc/82/77/17/1067827717.db2.gz BDGYZCMUJDBWPD-LLVKDONJSA-N 0 0 453.387 4.544 20 0 JJADRN Cc1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC001461323467 1067828115 /nfs/dbraw/zinc/82/81/15/1067828115.db2.gz DUILFFXYLLGYDL-FQEVSTJZSA-N 0 0 456.384 4.995 20 0 JJADRN Cc1cc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC001461326513 1067829044 /nfs/dbraw/zinc/82/90/44/1067829044.db2.gz WICMMQHDSGEKKY-RUZDIDTESA-N 0 0 453.970 4.864 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC001461327075 1067829578 /nfs/dbraw/zinc/82/95/78/1067829578.db2.gz ZSBCESXXAXWKSF-JOCHJYFZSA-N 0 0 450.348 4.547 20 0 JJADRN O=C(NCc1cccc(Oc2ccccc2F)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001461328525 1067830027 /nfs/dbraw/zinc/83/00/27/1067830027.db2.gz LWTHCWPHOROUEA-HXUWFJFHSA-N 0 0 450.485 4.926 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCc1cccc(Oc2ccccc2F)c1 ZINC001461332508 1067831055 /nfs/dbraw/zinc/83/10/55/1067831055.db2.gz XHXJSXCXTNYNJZ-UHFFFAOYSA-N 0 0 453.535 4.587 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001461336560 1067831780 /nfs/dbraw/zinc/83/17/80/1067831780.db2.gz TYPBNTLNANXILI-HNNXBMFYSA-N 0 0 455.308 4.822 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)Cc2ccc(Br)s2)c(F)c1 ZINC001461337823 1067832490 /nfs/dbraw/zinc/83/24/90/1067832490.db2.gz YTYZIQRZOPPNSW-UHFFFAOYSA-N 0 0 457.365 4.533 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1cc(Cn2cccn2)on1 ZINC001461340282 1067833364 /nfs/dbraw/zinc/83/33/64/1067833364.db2.gz XWWWXCCGCMJCRF-UHFFFAOYSA-N 0 0 457.259 4.866 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cccc3cccc(Br)c32)c2cnccc21 ZINC001461342293 1067834173 /nfs/dbraw/zinc/83/41/73/1067834173.db2.gz TWYSKCDELYBOLL-UHFFFAOYSA-N 0 0 455.333 4.806 20 0 JJADRN O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1cncc(I)c1 ZINC001546123589 1067835448 /nfs/dbraw/zinc/83/54/48/1067835448.db2.gz VIVDAWWPCMPDHE-UHFFFAOYSA-N 0 0 451.214 4.960 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC001546123685 1067836787 /nfs/dbraw/zinc/83/67/87/1067836787.db2.gz YCTFISXOSXMOOF-HXUWFJFHSA-N 0 0 455.465 4.862 20 0 JJADRN CCN(CCSC)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001461363161 1067838990 /nfs/dbraw/zinc/83/89/90/1067838990.db2.gz YTVUWLIFIJAVKE-IBGZPJMESA-N 0 0 452.620 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c(F)ccc(Br)c2F)C12CCCC2 ZINC001461365705 1067839326 /nfs/dbraw/zinc/83/93/26/1067839326.db2.gz UCWDGZBBQNRMEQ-AWEZNQCLSA-N 0 0 459.331 4.779 20 0 JJADRN O=C(N1CCS[C@H](c2ccccc2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001461370076 1067840121 /nfs/dbraw/zinc/84/01/21/1067840121.db2.gz QRLNIGJVTDODCM-FQEVSTJZSA-N 0 0 450.025 4.743 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC001461375499 1067841027 /nfs/dbraw/zinc/84/10/27/1067841027.db2.gz JJEDHDXZVZLCEK-DEOSSOPVSA-N 0 0 451.586 4.713 20 0 JJADRN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)n1 ZINC001461374119 1067841037 /nfs/dbraw/zinc/84/10/37/1067841037.db2.gz UTQYVUZGMFVWEH-GWCFXTLKSA-N 0 0 456.743 4.843 20 0 JJADRN CCOc1cc(CNc2cc(C)n(-c3cc(C)cc(C)c3)n2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461376779 1067841470 /nfs/dbraw/zinc/84/14/70/1067841470.db2.gz BEPROIIHMQTZKL-FQEVSTJZSA-N 0 0 450.583 4.664 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC001461378364 1067841863 /nfs/dbraw/zinc/84/18/63/1067841863.db2.gz IQVBSBWITUYXSV-IBGZPJMESA-N 0 0 454.368 4.881 20 0 JJADRN O=C(c1cc(I)c(F)cc1F)N1CCCC[C@H]1Cc1ccccc1F ZINC001461378238 1067841973 /nfs/dbraw/zinc/84/19/73/1067841973.db2.gz VOQRCORHJIBIMT-ZDUSSCGKSA-N 0 0 459.249 4.946 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461381001 1067842982 /nfs/dbraw/zinc/84/29/82/1067842982.db2.gz GWKMODSHYIXERF-CWTRNNRKSA-N 0 0 453.743 4.688 20 0 JJADRN O=C([C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CCN([C@@H]2CCOC2)CC1 ZINC001461384782 1067843876 /nfs/dbraw/zinc/84/38/76/1067843876.db2.gz GDSKUAXNXOOZAA-NQIIRXRSSA-N 0 0 451.419 4.760 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C2 ZINC001461383113 1067843931 /nfs/dbraw/zinc/84/39/31/1067843931.db2.gz ZGIJNCQIHLXFKN-LMKMVOKYSA-N 0 0 461.578 4.577 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CC)OC[C@@H]2CC)c1 ZINC001461384577 1067843966 /nfs/dbraw/zinc/84/39/66/1067843966.db2.gz ZFBHLJSPDSBUGY-JTHBVZDNSA-N 0 0 458.624 4.712 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCCCOC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001461385382 1067844082 /nfs/dbraw/zinc/84/40/82/1067844082.db2.gz KHXODUILJWNLKX-ILBGXUMGSA-N 0 0 452.595 4.809 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCCCOC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001461385385 1067844227 /nfs/dbraw/zinc/84/42/27/1067844227.db2.gz KHXODUILJWNLKX-ZCYQVOJMSA-N 0 0 452.595 4.809 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461386428 1067844245 /nfs/dbraw/zinc/84/42/45/1067844245.db2.gz PVCYHLSUBJDOBI-UHFFFAOYSA-N 0 0 453.327 4.677 20 0 JJADRN O=C(N1CCN(c2ccc(Br)cc2)CC1)C1(CCCOCc2ccccc2)CC1 ZINC001461384822 1067844264 /nfs/dbraw/zinc/84/42/64/1067844264.db2.gz HEHDDNWGHNJUGZ-UHFFFAOYSA-N 0 0 457.412 4.875 20 0 JJADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461385723 1067844270 /nfs/dbraw/zinc/84/42/70/1067844270.db2.gz MCMGTYOYEYAABH-MZLICYQSSA-N 0 0 458.624 4.598 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCCCOC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001461385383 1067844297 /nfs/dbraw/zinc/84/42/97/1067844297.db2.gz KHXODUILJWNLKX-NOZRDPDXSA-N 0 0 452.595 4.809 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C)c1ccc(O[C@H](C)c3ccccc3)cc1)C2=O ZINC001461386704 1067844610 /nfs/dbraw/zinc/84/46/10/1067844610.db2.gz SFOFUSLGJLGDTB-XUVXKRRUSA-N 0 0 456.542 4.997 20 0 JJADRN O=C([C@H]1CCOc2ccc(Br)cc21)N1CCOc2cc(Br)ccc21 ZINC001461395352 1067845361 /nfs/dbraw/zinc/84/53/61/1067845361.db2.gz YNHCOPLKSXAYKR-ZDUSSCGKSA-N 0 0 453.130 4.503 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC001461397313 1067845770 /nfs/dbraw/zinc/84/57/70/1067845770.db2.gz MEXFUZVQDPQBRN-SFHVURJKSA-N 0 0 453.564 4.818 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001461398173 1067846329 /nfs/dbraw/zinc/84/63/29/1067846329.db2.gz VKJDHOAAHYAMKY-YQVWRLOYSA-N 0 0 458.628 4.729 20 0 JJADRN COc1cc(CNc2ccc(CN3CCOCC3)cn2)ccc1OCc1ccc(Cl)cc1 ZINC001461404062 1067847080 /nfs/dbraw/zinc/84/70/80/1067847080.db2.gz DAJZOECEEQYZAU-UHFFFAOYSA-N 0 0 453.970 4.767 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001461406956 1067848182 /nfs/dbraw/zinc/84/81/82/1067848182.db2.gz CVSGGZZJTPOKHB-LBPRGKRZSA-N 0 0 454.151 4.767 20 0 JJADRN COC(=O)Cc1occc1C(=O)O[C@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC001461412585 1067849605 /nfs/dbraw/zinc/84/96/05/1067849605.db2.gz PPJVDTMUNHJJLS-CQSZACIVSA-N 0 0 455.610 4.871 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCOC[C@@H]3c3ccc(Br)cc3)sc21 ZINC001461414985 1067850371 /nfs/dbraw/zinc/85/03/71/1067850371.db2.gz WZSKSCQKHDYROA-CYBMUJFWSA-N 0 0 456.312 4.549 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001461416905 1067850745 /nfs/dbraw/zinc/85/07/45/1067850745.db2.gz PFROFMQGDCRPLD-SBUREZEXSA-N 0 0 454.533 4.984 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001461417847 1067851403 /nfs/dbraw/zinc/85/14/03/1067851403.db2.gz WAELZHVXOZDUKD-XMSQKQJNSA-N 0 0 450.432 4.774 20 0 JJADRN CC(C)(C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461419081 1067851815 /nfs/dbraw/zinc/85/18/15/1067851815.db2.gz NFEMIGRKNRHOJD-DOMZBBRYSA-N 0 0 452.407 4.522 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccc(-c3cccs3)cc2)cc1 ZINC001461419183 1067851852 /nfs/dbraw/zinc/85/18/52/1067851852.db2.gz PLRWIXREPDBEHP-OAQYLSRUSA-N 0 0 452.601 4.645 20 0 JJADRN COc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc(Br)c1O ZINC001461419250 1067851903 /nfs/dbraw/zinc/85/19/03/1067851903.db2.gz ZJTDUBQKVWBOBF-UHFFFAOYSA-N 0 0 457.372 4.684 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001461419344 1067852108 /nfs/dbraw/zinc/85/21/08/1067852108.db2.gz VHEFPWPAFYWNKI-UHFFFAOYSA-N 0 0 457.615 4.563 20 0 JJADRN Cc1c(C(=O)Nc2ccc(I)cc2F)cnn1-c1ccc(Cl)cc1 ZINC001461421827 1067852614 /nfs/dbraw/zinc/85/26/14/1067852614.db2.gz QBDWRYVDZYIFDS-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CCn1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)n1 ZINC001461424678 1067853183 /nfs/dbraw/zinc/85/31/83/1067853183.db2.gz TZEBQXFQCOXNCB-UHFFFAOYSA-N 0 0 450.926 4.698 20 0 JJADRN Cc1cc(Br)cn2c(CNc3cccc(I)c3C)cnc12 ZINC001461428456 1067853951 /nfs/dbraw/zinc/85/39/51/1067853951.db2.gz RNTTYZQLMQJGDM-UHFFFAOYSA-N 0 0 456.125 4.930 20 0 JJADRN CNC(=O)Oc1cccc(OC(=O)c2ccccc2OCc2cccc(Br)c2)c1 ZINC001461436315 1067856207 /nfs/dbraw/zinc/85/62/07/1067856207.db2.gz GGMSZVFJTLHZTL-UHFFFAOYSA-N 0 0 456.292 4.966 20 0 JJADRN Cc1ccc(CCNC(=O)c2cccc(Br)c2I)cc1C ZINC001461445223 1067858125 /nfs/dbraw/zinc/85/81/25/1067858125.db2.gz HPFWRTCFMYUYSY-UHFFFAOYSA-N 0 0 458.137 4.643 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461449716 1067859512 /nfs/dbraw/zinc/85/95/12/1067859512.db2.gz UNUIIBDCHWEXBP-KSSFIOAISA-N 0 0 455.908 4.546 20 0 JJADRN O=C(c1sc2ncccc2c1Cl)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461451286 1067859909 /nfs/dbraw/zinc/85/99/09/1067859909.db2.gz YUTHPWLATOZKMO-TZMCWYRMSA-N 0 0 459.921 4.745 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CNCc1ccncc1OCC(F)(F)F ZINC001461459663 1067861689 /nfs/dbraw/zinc/86/16/89/1067861689.db2.gz BUPSULMBUTWBQG-UHFFFAOYSA-N 0 0 455.278 4.569 20 0 JJADRN Cc1c(NCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)cnn1C1CCCC1 ZINC001461464064 1067863241 /nfs/dbraw/zinc/86/32/41/1067863241.db2.gz NTQHNAXOMNKGAN-UHFFFAOYSA-N 0 0 453.414 4.937 20 0 JJADRN Fc1ccc(-n2cc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)nn2)c(Cl)c1 ZINC001461466523 1067864100 /nfs/dbraw/zinc/86/41/00/1067864100.db2.gz VFHQVMBXBBWGEY-UHFFFAOYSA-N 0 0 454.855 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001461468856 1067864849 /nfs/dbraw/zinc/86/48/49/1067864849.db2.gz QWQYTFSWRZHYEV-QTGUNEKASA-N 0 0 481.568 4.551 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)nn1C ZINC001461468276 1067864985 /nfs/dbraw/zinc/86/49/85/1067864985.db2.gz DEBRZQMURURVDI-CYBMUJFWSA-N 0 0 454.493 4.589 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2cc(C)ccc2C)cc1F ZINC001461469551 1067865223 /nfs/dbraw/zinc/86/52/23/1067865223.db2.gz HAFQKFRKCIOVKP-GMAHTHKFSA-N 0 0 470.585 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001461470745 1067865859 /nfs/dbraw/zinc/86/58/59/1067865859.db2.gz MNDRPUNTDJHJMC-GMKZXUHWSA-N 0 0 468.569 4.853 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C(\C)c2ccco2)cc1 ZINC001461472371 1067866592 /nfs/dbraw/zinc/86/65/92/1067866592.db2.gz DDXLSCPBAGAXFQ-YMECQYLLSA-N 0 0 454.567 4.991 20 0 JJADRN C[C@H]1[C@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)CCN1C(=O)OC(C)(C)C ZINC001461472957 1067866853 /nfs/dbraw/zinc/86/68/53/1067866853.db2.gz QNLXSLSLTSTGOC-NWDGAFQWSA-N 0 0 456.490 4.808 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H](C)c2ccncc2)cc1F ZINC001461473294 1067866970 /nfs/dbraw/zinc/86/69/70/1067866970.db2.gz SDMAPSOHGIYXJK-AGHHOFFYSA-N 0 0 471.573 4.632 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2cc(F)ccc2F)cc1F ZINC001461474537 1067867747 /nfs/dbraw/zinc/86/77/47/1067867747.db2.gz WOGCLSPFPFHDEA-RXVVDRJESA-N 0 0 478.511 4.564 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)c1Br ZINC001461476444 1067868471 /nfs/dbraw/zinc/86/84/71/1067868471.db2.gz TVJSXLXOUUHBKO-CQSZACIVSA-N 0 0 459.207 4.707 20 0 JJADRN O=C(N[C@@H]1CSCc2ccc(Br)cc21)C1(c2ccc(F)cc2)CCOCC1 ZINC001461476384 1067868482 /nfs/dbraw/zinc/86/84/82/1067868482.db2.gz SSHQNKGJFXJNJH-LJQANCHMSA-N 0 0 450.373 4.741 20 0 JJADRN COc1cc(CNc2ccc(F)c(N3CCOC3=O)c2)cc(OC)c1OCc1ccccc1 ZINC001461477377 1067869249 /nfs/dbraw/zinc/86/92/49/1067869249.db2.gz CBBKEHRDOCOMES-UHFFFAOYSA-N 0 0 452.482 4.991 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2CCCC(F)(F)C2)cc1 ZINC001461477364 1067869350 /nfs/dbraw/zinc/86/93/50/1067869350.db2.gz NFIJQJVLFFDXDA-HOJAQTOUSA-N 0 0 452.542 4.730 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cnn1CCC(C)C ZINC001461478369 1067869649 /nfs/dbraw/zinc/86/96/49/1067869649.db2.gz QSQQMIQHSPPIKH-FYYLOGMGSA-N 0 0 472.605 4.900 20 0 JJADRN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C2 ZINC001461479161 1067870045 /nfs/dbraw/zinc/87/00/45/1067870045.db2.gz QYRQZTBCZWYENB-CQOQZXRMSA-N 0 0 468.569 4.655 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)C2)c1 ZINC001461480434 1067870457 /nfs/dbraw/zinc/87/04/57/1067870457.db2.gz TVPBHSSSIQRMTI-NQHRYMMQSA-N 0 0 477.605 4.706 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(C)c(Br)c2C)c1 ZINC001461485358 1067872174 /nfs/dbraw/zinc/87/21/74/1067872174.db2.gz NWHKYOFTAIUUDS-UHFFFAOYSA-N 0 0 455.418 4.717 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1cccc(N2C(=O)CNC2=O)c1C ZINC001461484983 1067872232 /nfs/dbraw/zinc/87/22/32/1067872232.db2.gz LNVDCUACRCWFOZ-UHFFFAOYSA-N 0 0 458.349 4.523 20 0 JJADRN Cc1c(F)c(Br)ccc1NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461485542 1067872284 /nfs/dbraw/zinc/87/22/84/1067872284.db2.gz MRVJILDGKQCFKR-FQEVSTJZSA-N 0 0 453.283 4.586 20 0 JJADRN O=C(c1cc(Br)cc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1)N1CCCC1 ZINC001461484502 1067872357 /nfs/dbraw/zinc/87/23/57/1067872357.db2.gz OPHOXVNLRSTBCC-JOCHJYFZSA-N 0 0 459.384 4.855 20 0 JJADRN COc1cc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)cc(Cl)c1OCCC(C)C ZINC001546124815 1067873236 /nfs/dbraw/zinc/87/32/36/1067873236.db2.gz KVJSGSSBDIKYAR-UHFFFAOYSA-N 0 0 454.350 4.900 20 0 JJADRN Cc1ccc(COc2ccc(CNc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)cc2)cc1 ZINC001461489468 1067873877 /nfs/dbraw/zinc/87/38/77/1067873877.db2.gz CGYGPLFNQVZGPW-UHFFFAOYSA-N 0 0 453.608 4.502 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1sccc1Br ZINC001461491559 1067874402 /nfs/dbraw/zinc/87/44/02/1067874402.db2.gz BCNKVZXJZUTZJJ-UHFFFAOYSA-N 0 0 459.431 4.696 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001461494390 1067875415 /nfs/dbraw/zinc/87/54/15/1067875415.db2.gz FKTPYHFFGUDTFZ-NHYWBVRUSA-N 0 0 456.399 4.671 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccc(-c2ccncc2)cc1F ZINC001461494151 1067875518 /nfs/dbraw/zinc/87/55/18/1067875518.db2.gz LUBHKNUWQMXDKW-UHFFFAOYSA-N 0 0 457.571 4.929 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC001461494931 1067875536 /nfs/dbraw/zinc/87/55/36/1067875536.db2.gz NZWFCRYLWHKWMP-UHFFFAOYSA-N 0 0 458.502 4.613 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)cc2Br)c2ccccc2)cc1 ZINC001461496746 1067875825 /nfs/dbraw/zinc/87/58/25/1067875825.db2.gz PWOJEGALOQQANC-QFIPXVFZSA-N 0 0 456.336 4.994 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1csc(Br)c1 ZINC001461495175 1067875929 /nfs/dbraw/zinc/87/59/29/1067875929.db2.gz QFECBPNUPJNDEL-UHFFFAOYSA-N 0 0 459.431 4.696 20 0 JJADRN CN(CC(=O)N(C)C1CCCCC1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001461500807 1067877195 /nfs/dbraw/zinc/87/71/95/1067877195.db2.gz GANDUMOAUJDAOI-HJWRWDBZSA-N 0 0 450.423 4.987 20 0 JJADRN Cc1sc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)nc1C(C)C ZINC001461501195 1067877202 /nfs/dbraw/zinc/87/72/02/1067877202.db2.gz QOBQWIASZUJSDU-UHFFFAOYSA-N 0 0 450.402 4.828 20 0 JJADRN CCN(C(C)=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cn1 ZINC001461501449 1067877227 /nfs/dbraw/zinc/87/72/27/1067877227.db2.gz KQBHZJSTVCCJKJ-UHFFFAOYSA-N 0 0 455.518 4.568 20 0 JJADRN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001461500100 1067877421 /nfs/dbraw/zinc/87/74/21/1067877421.db2.gz HFIARHFBNCXMSG-AWEZNQCLSA-N 0 0 452.308 4.619 20 0 JJADRN COc1cc(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)ccc1Br ZINC001461503861 1067877696 /nfs/dbraw/zinc/87/76/96/1067877696.db2.gz JIEVVQXDYIDDKL-UHFFFAOYSA-N 0 0 458.646 4.849 20 0 JJADRN CCN(C(C)=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1 ZINC001461504732 1067878381 /nfs/dbraw/zinc/87/83/81/1067878381.db2.gz VBJPGDMVKIKPHD-UHFFFAOYSA-N 0 0 457.509 4.627 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CNc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC001461505877 1067878435 /nfs/dbraw/zinc/87/84/35/1067878435.db2.gz OJVAZSRQFDOUSW-UHFFFAOYSA-N 0 0 451.546 4.929 20 0 JJADRN COc1cc(OC(=O)c2ccn(-c3cccc(Br)c3)n2)ccc1Br ZINC001461506383 1067878798 /nfs/dbraw/zinc/87/87/98/1067878798.db2.gz YJTQDXVMEWLVGT-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN COC[C@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)C1CCOCC1 ZINC001461521370 1067880916 /nfs/dbraw/zinc/88/09/16/1067880916.db2.gz IMTBQUNUINYJKL-INIZCTEOSA-N 0 0 457.423 4.952 20 0 JJADRN O=C(NCCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001461530073 1067882156 /nfs/dbraw/zinc/88/21/56/1067882156.db2.gz OYVZQMDMXXIMSA-VWLOTQADSA-N 0 0 454.636 4.636 20 0 JJADRN O=C(NCCc1ccc(C2CCCCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001461530068 1067882324 /nfs/dbraw/zinc/88/23/24/1067882324.db2.gz OYVZQMDMXXIMSA-RUZDIDTESA-N 0 0 454.636 4.636 20 0 JJADRN Brc1ccc(-n2ccc(NCc3ccccc3I)n2)cc1 ZINC001461530812 1067882384 /nfs/dbraw/zinc/88/23/84/1067882384.db2.gz TWKAJPLRKWUCMH-UHFFFAOYSA-N 0 0 454.109 4.852 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)CCCOc2ccccc2Br)n1 ZINC001461535571 1067883800 /nfs/dbraw/zinc/88/38/00/1067883800.db2.gz LSYIPVXCACRXRS-UHFFFAOYSA-N 0 0 455.765 4.757 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCC(=O)OCc3ccc(Cl)cc3)c21 ZINC001546125168 1067884617 /nfs/dbraw/zinc/88/46/17/1067884617.db2.gz XYBIVDQAJRPXQI-UHFFFAOYSA-N 0 0 453.882 4.733 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CO1 ZINC001461540479 1067884815 /nfs/dbraw/zinc/88/48/15/1067884815.db2.gz GLMWTMWFWXRNMB-OAHLLOKOSA-N 0 0 456.391 4.607 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cn(C(C)(C)C)nc2Br)c1 ZINC001461542114 1067885336 /nfs/dbraw/zinc/88/53/36/1067885336.db2.gz HFIBJLAENWBXPL-UHFFFAOYSA-N 0 0 451.365 4.678 20 0 JJADRN NC(=O)c1ccc(OCC(F)F)c(NCc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC001461550491 1067886586 /nfs/dbraw/zinc/88/65/86/1067886586.db2.gz KTGIESINKCWUAB-UHFFFAOYSA-N 0 0 459.880 4.947 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001461561281 1067888347 /nfs/dbraw/zinc/88/83/47/1067888347.db2.gz OVSQAKUZWXFUFF-PSKUBERUSA-N 0 0 455.502 4.552 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1ncc(I)s1 ZINC001461561832 1067888418 /nfs/dbraw/zinc/88/84/18/1067888418.db2.gz YPNMWDFHYKHKPH-CYBMUJFWSA-N 0 0 455.365 4.683 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 ZINC001461561322 1067888429 /nfs/dbraw/zinc/88/84/29/1067888429.db2.gz SWICFFBWHDBAEG-UHFFFAOYSA-N 0 0 457.596 4.505 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NCc2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC001461561293 1067888508 /nfs/dbraw/zinc/88/85/08/1067888508.db2.gz RVGDLJFAXOKEHR-UHFFFAOYSA-N 0 0 450.910 4.924 20 0 JJADRN CCOc1c(OC)cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)cc1OC ZINC001461563084 1067888911 /nfs/dbraw/zinc/88/89/11/1067888911.db2.gz AXLSHQYIZLRNTC-ZDUSSCGKSA-N 0 0 453.461 4.636 20 0 JJADRN COc1ccc(CNc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c(Br)c1O ZINC001461563549 1067888991 /nfs/dbraw/zinc/88/89/91/1067888991.db2.gz GGHQZVVINRHIFY-UHFFFAOYSA-N 0 0 454.386 4.800 20 0 JJADRN CN(C(=O)c1ccc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1)C1CCOCC1 ZINC001461565518 1067889690 /nfs/dbraw/zinc/88/96/90/1067889690.db2.gz PHDATOHFPMEJMJ-QHCPKHFHSA-N 0 0 458.986 4.761 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc1)CO2 ZINC001461567773 1067890227 /nfs/dbraw/zinc/89/02/27/1067890227.db2.gz DZSHSXASKPIGNC-FYYLOGMGSA-N 0 0 452.551 4.727 20 0 JJADRN O=C(Nc1cccc(Br)c1F)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001461569609 1067890726 /nfs/dbraw/zinc/89/07/26/1067890726.db2.gz WRDTZRDKSYTYJD-UHFFFAOYSA-N 0 0 452.283 4.599 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1F ZINC001461568394 1067890823 /nfs/dbraw/zinc/89/08/23/1067890823.db2.gz KGVXIZIPYDEPDC-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cnc1C(F)(F)F ZINC001461572030 1067891361 /nfs/dbraw/zinc/89/13/61/1067891361.db2.gz QGZNQQPTMZESBA-UHFFFAOYSA-N 0 0 455.502 4.614 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2c3ccccc3C(C)(C)[C@H]2C)cc1 ZINC001461576216 1067892245 /nfs/dbraw/zinc/89/22/45/1067892245.db2.gz UTNMDNKOJBXXMY-QGZVFWFLSA-N 0 0 454.592 4.638 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001461579108 1067893051 /nfs/dbraw/zinc/89/30/51/1067893051.db2.gz HASJEEXUGLFNMF-UHFFFAOYSA-N 0 0 450.626 4.588 20 0 JJADRN CO[C@](C)(C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1)c1ccccc1 ZINC001461588735 1067894734 /nfs/dbraw/zinc/89/47/34/1067894734.db2.gz MXXPGIQTGYGLMU-FQEVSTJZSA-N 0 0 457.353 4.949 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNCc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC001461587465 1067894843 /nfs/dbraw/zinc/89/48/43/1067894843.db2.gz FDKROJZYCSILSO-UHFFFAOYSA-N 0 0 450.938 4.839 20 0 JJADRN CN(C)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)cc1C(F)(F)F ZINC001461586544 1067895148 /nfs/dbraw/zinc/89/51/48/1067895148.db2.gz ZKPJDZFNYCTNEG-UHFFFAOYSA-N 0 0 458.322 4.983 20 0 JJADRN Cc1c(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)cnn1C(C)(C)C ZINC001461589108 1067895511 /nfs/dbraw/zinc/89/55/11/1067895511.db2.gz OGOWQEWDSFGDSM-UHFFFAOYSA-N 0 0 459.373 4.961 20 0 JJADRN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001461598577 1067898060 /nfs/dbraw/zinc/89/80/60/1067898060.db2.gz WYLOIKOYKPUVIL-MRXNPFEDSA-N 0 0 450.201 4.960 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)c1Cl ZINC001461598360 1067898196 /nfs/dbraw/zinc/89/81/96/1067898196.db2.gz WVSUECZKJMWWPX-NRFANRHFSA-N 0 0 456.391 4.599 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CCCC(F)(F)CC2)c1 ZINC001461603094 1067899494 /nfs/dbraw/zinc/89/94/94/1067899494.db2.gz JGHBAYVEBOUXBB-UHFFFAOYSA-N 0 0 451.311 4.892 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)N1CCc2sc(Br)cc2C1 ZINC001461604048 1067900048 /nfs/dbraw/zinc/90/00/48/1067900048.db2.gz YGWXLRMGJOFBRQ-UHFFFAOYSA-N 0 0 451.130 4.679 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@H](C)O1 ZINC001461610579 1067901254 /nfs/dbraw/zinc/90/12/54/1067901254.db2.gz VUJWRZIKUITTMX-HOTGVXAUSA-N 0 0 457.546 4.874 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](OC)C2)CCOCC1 ZINC001546125719 1067901850 /nfs/dbraw/zinc/90/18/50/1067901850.db2.gz JUDFKRORPYHOBK-YADHBBJMSA-N 0 0 456.631 4.857 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001546125715 1067901893 /nfs/dbraw/zinc/90/18/93/1067901893.db2.gz JTSZHYKALWLSGI-SJORKVTESA-N 0 0 469.527 4.820 20 0 JJADRN CN1C(=O)N[C@@](C)(c2ccc(NCc3cc(F)ccc3Oc3cc(F)cc(F)c3)cc2)C1=O ZINC001461614196 1067902228 /nfs/dbraw/zinc/90/22/28/1067902228.db2.gz YMQOIPJFGBOXCG-DEOSSOPVSA-N 0 0 455.436 4.905 20 0 JJADRN OCc1cc2cc(NCc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)ccc2o1 ZINC001461613227 1067902263 /nfs/dbraw/zinc/90/22/63/1067902263.db2.gz PEACWHYHCTXRQW-UHFFFAOYSA-N 0 0 451.350 4.555 20 0 JJADRN FC(F)(F)Cn1cc(Cl)c(NCc2cc(Cl)ccc2I)n1 ZINC001461614331 1067902279 /nfs/dbraw/zinc/90/22/79/1067902279.db2.gz ZDYIPMJXPDHWON-UHFFFAOYSA-N 0 0 450.029 4.969 20 0 JJADRN C[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001461620362 1067902994 /nfs/dbraw/zinc/90/29/94/1067902994.db2.gz LQSLNABVDIDJJY-INIZCTEOSA-N 0 0 454.368 4.904 20 0 JJADRN CN(C(=O)c1cnc(OCc2ccccc2)cn1)c1nc2cc(Br)ccc2s1 ZINC001461621681 1067903232 /nfs/dbraw/zinc/90/32/32/1067903232.db2.gz HQIQSQOGEOWNBY-UHFFFAOYSA-N 0 0 455.337 4.704 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)c3ccc(Br)cc32)c1 ZINC001461624887 1067904017 /nfs/dbraw/zinc/90/40/17/1067904017.db2.gz BFYPPTFIRRQQFY-UHFFFAOYSA-N 0 0 456.789 4.834 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c1C ZINC001461627991 1067904881 /nfs/dbraw/zinc/90/48/81/1067904881.db2.gz JMQGOVSSQHCXQT-UHFFFAOYSA-N 0 0 454.368 4.705 20 0 JJADRN CCN(C(C)=O)c1nc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cs1 ZINC001461627907 1067904912 /nfs/dbraw/zinc/90/49/12/1067904912.db2.gz PKISNXOJKWCEFZ-NHCUHLMSSA-N 0 0 476.618 4.538 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCC1 ZINC001546125836 1067905622 /nfs/dbraw/zinc/90/56/22/1067905622.db2.gz MCLMLZNUNOGRST-QUCCMNQESA-N 0 0 495.089 4.892 20 0 JJADRN COC(=O)c1ccc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)c(F)c1 ZINC001461630959 1067905708 /nfs/dbraw/zinc/90/57/08/1067905708.db2.gz SOHPRKHRBVMDHK-UHFFFAOYSA-N 0 0 454.145 4.665 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1csc(-c3ccccn3)n1)CCC2 ZINC001461632616 1067906078 /nfs/dbraw/zinc/90/60/78/1067906078.db2.gz MCARXDCJMGTMQG-UHFFFAOYSA-N 0 0 450.564 4.823 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)C(C)C)CC2)CCC1 ZINC001546125928 1067908046 /nfs/dbraw/zinc/90/80/46/1067908046.db2.gz NTJVECVLWLDPCF-JOCHJYFZSA-N 0 0 467.658 4.920 20 0 JJADRN O=C(Nc1ccn(C2CCOCC2)n1)c1ccc(COc2ccccc2Br)cc1 ZINC001461642226 1067908154 /nfs/dbraw/zinc/90/81/54/1067908154.db2.gz HTIHDOXAEAXAMB-UHFFFAOYSA-N 0 0 456.340 4.828 20 0 JJADRN C[C@H]1CCC[C@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)O1 ZINC001461646690 1067908958 /nfs/dbraw/zinc/90/89/58/1067908958.db2.gz DZNIHHORPJGVRF-WCQYABFASA-N 0 0 451.823 4.867 20 0 JJADRN Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001461649957 1067909771 /nfs/dbraw/zinc/90/97/71/1067909771.db2.gz ABCBCZVGWQSHJT-KBAYOESNSA-N 0 0 451.633 4.501 20 0 JJADRN C[Si](C)(C)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC001461650492 1067909791 /nfs/dbraw/zinc/90/97/91/1067909791.db2.gz TYYBNSTXWAOSLF-UHFFFAOYSA-N 0 0 454.650 4.511 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC001461652167 1067910535 /nfs/dbraw/zinc/91/05/35/1067910535.db2.gz ZTIONKKREDZURF-UGKGYDQZSA-N 0 0 453.970 4.802 20 0 JJADRN CCCOc1ccc(CNc2nc3cc(I)ccc3[nH]2)cc1OCC ZINC001461654276 1067910844 /nfs/dbraw/zinc/91/08/44/1067910844.db2.gz SNNAGXDERWTFFE-UHFFFAOYSA-N 0 0 451.308 4.967 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2cc3ccc(Br)cc3s2)cc1 ZINC001461655469 1067911291 /nfs/dbraw/zinc/91/12/91/1067911291.db2.gz BLKSRGBBWWEMOO-UHFFFAOYSA-N 0 0 453.383 4.702 20 0 JJADRN COc1cc(NCc2ccccc2OCC(=O)NCC2CC2)c(Cl)cc1Br ZINC001461655025 1067911364 /nfs/dbraw/zinc/91/13/64/1067911364.db2.gz ITEANFMPVFFGEY-UHFFFAOYSA-N 0 0 453.764 4.628 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461657490 1067911657 /nfs/dbraw/zinc/91/16/57/1067911657.db2.gz DRHCVOBFPANJGC-IIBYNOLFSA-N 0 0 450.844 4.978 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c(C)n1 ZINC001461658136 1067911664 /nfs/dbraw/zinc/91/16/64/1067911664.db2.gz HAFKCRNHKWJOTP-OXQOHEQNSA-N 0 0 464.676 4.680 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1csc(COc2ccc(F)cc2)n1 ZINC001461659122 1067912188 /nfs/dbraw/zinc/91/21/88/1067912188.db2.gz JZNMDPQSHSMHAF-DNVCBOLYSA-N 0 0 452.429 4.526 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cs2)cc1 ZINC001461661845 1067912450 /nfs/dbraw/zinc/91/24/50/1067912450.db2.gz RIBWFMAIEOBVAW-WIYYLYMNSA-N 0 0 462.493 4.802 20 0 JJADRN C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1cc(F)c(Br)cc1F ZINC001461660953 1067912547 /nfs/dbraw/zinc/91/25/47/1067912547.db2.gz XXHKNLFGKUXOFR-SNVBAGLBSA-N 0 0 457.702 4.999 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)NCCc1cccc2c1OC(F)(F)O2 ZINC001461666241 1067913825 /nfs/dbraw/zinc/91/38/25/1067913825.db2.gz QKZHPZUFDWRFAR-UHFFFAOYSA-N 0 0 453.532 4.615 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CNC(C)(C)C(=O)Nc2ccccc2)cc1Br ZINC001461666386 1067913885 /nfs/dbraw/zinc/91/38/85/1067913885.db2.gz DVKAESWUNCXDGW-AWEZNQCLSA-N 0 0 453.352 4.777 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNCc1csnn1 ZINC001461670821 1067915029 /nfs/dbraw/zinc/91/50/29/1067915029.db2.gz IINJSKVLKNISKU-UHFFFAOYSA-N 0 0 456.369 4.877 20 0 JJADRN Brc1cc(I)cc(NCc2ccc(-n3ccnc3)cc2)c1 ZINC001461673227 1067915430 /nfs/dbraw/zinc/91/54/30/1067915430.db2.gz PKYGJNZLNVOXAS-UHFFFAOYSA-N 0 0 454.109 4.852 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCc2cc(Br)ccc2C1 ZINC001461673863 1067915486 /nfs/dbraw/zinc/91/54/86/1067915486.db2.gz WLILSCDVXKZMIZ-IBGZPJMESA-N 0 0 457.151 4.586 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1 ZINC001461676530 1067915903 /nfs/dbraw/zinc/91/59/03/1067915903.db2.gz FWEPFSZCWBJCCC-GOSISDBHSA-N 0 0 459.974 4.700 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676523 1067915956 /nfs/dbraw/zinc/91/59/56/1067915956.db2.gz FVLDLSQSTDJYKH-IBGZPJMESA-N 0 0 459.468 4.682 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678928 1067916953 /nfs/dbraw/zinc/91/69/53/1067916953.db2.gz RHFXRXYVNAMLMQ-NRFANRHFSA-N 0 0 452.501 4.557 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461681318 1067917413 /nfs/dbraw/zinc/91/74/13/1067917413.db2.gz AWKIVRIHNQJMAQ-FXAWDEMLSA-N 0 0 457.571 4.751 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461681328 1067917475 /nfs/dbraw/zinc/91/74/75/1067917475.db2.gz AWKIVRIHNQJMAQ-PXNSSMCTSA-N 0 0 457.571 4.751 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@H](C(F)F)C2CCCCC2)nnc1-c1ccccc1 ZINC001461681812 1067917498 /nfs/dbraw/zinc/91/74/98/1067917498.db2.gz NICDHWCVFRRWCD-KXBFYZLASA-N 0 0 452.571 4.575 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC001461684186 1067917887 /nfs/dbraw/zinc/91/78/87/1067917887.db2.gz HHXRGLQQDXURBQ-GOSISDBHSA-N 0 0 454.552 4.881 20 0 JJADRN O=C1[C@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1c1ccc(Cl)cc1F ZINC001461688289 1067918720 /nfs/dbraw/zinc/91/87/20/1067918720.db2.gz VPEUJMDWQOQWEZ-GOSISDBHSA-N 0 0 452.839 4.579 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461700386 1067921241 /nfs/dbraw/zinc/92/12/41/1067921241.db2.gz UMTONZKYLPQJJZ-HZPDHXFCSA-N 0 0 453.967 4.849 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1 ZINC001461709486 1067923219 /nfs/dbraw/zinc/92/32/19/1067923219.db2.gz ACWLWRYHFVZDLB-UGKGYDQZSA-N 0 0 455.396 4.690 20 0 JJADRN Cc1cc([C@@H](CC(=O)Nc2nc(C3(C)CC3)ns2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461724496 1067925873 /nfs/dbraw/zinc/92/58/73/1067925873.db2.gz QOUCQOOSLMDHCB-CYBMUJFWSA-N 0 0 451.980 4.541 20 0 JJADRN CNC(=O)N(C)c1ccc(NCc2cc(Br)c([C@H](C)OCOC)cc2F)cc1 ZINC001461723584 1067925898 /nfs/dbraw/zinc/92/58/98/1067925898.db2.gz YZIYMGQZVZWGIT-ZDUSSCGKSA-N 0 0 454.340 4.657 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNc2nn(CC(F)(F)F)cc2Br)cn1 ZINC001461728032 1067926695 /nfs/dbraw/zinc/92/66/95/1067926695.db2.gz HWDQRLGQWVVXCQ-UHFFFAOYSA-N 0 0 450.259 4.562 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(I)cc1Cl ZINC001461725499 1067926701 /nfs/dbraw/zinc/92/67/01/1067926701.db2.gz SIVFBYHRWBBAOO-XOKHGSTOSA-N 0 0 458.126 4.975 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@]2(C)CC2(C)C)n1-c1ccccc1 ZINC001461729582 1067926968 /nfs/dbraw/zinc/92/69/68/1067926968.db2.gz PXTOYYKXLKCSPX-RUZDIDTESA-N 0 0 450.608 4.860 20 0 JJADRN CCN(CC)c1ccc(S(N)(=O)=O)cc1NCc1cc(-c2ccccc2C)ccc1OC ZINC001461728934 1067926986 /nfs/dbraw/zinc/92/69/86/1067926986.db2.gz NRHTUVRYEGJHTG-UHFFFAOYSA-N 0 0 453.608 4.776 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)NCC(F)(F)c1ccc(Br)cc1 ZINC001461729367 1067927042 /nfs/dbraw/zinc/92/70/42/1067927042.db2.gz PEWGQWFUHRQBAZ-UHFFFAOYSA-N 0 0 451.080 4.801 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)c12 ZINC001461735206 1067927282 /nfs/dbraw/zinc/92/72/82/1067927282.db2.gz LEXPYCVSJWUTLW-XMMPIXPASA-N 0 0 454.527 4.565 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3ccc(F)c(Br)c3C2)nc1 ZINC001461737898 1067928172 /nfs/dbraw/zinc/92/81/72/1067928172.db2.gz CMUPZPSJNQYZQA-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CC(C)Sc1cccc(Cl)c1CNc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC001461740589 1067928474 /nfs/dbraw/zinc/92/84/74/1067928474.db2.gz CBQLPKLGELXHPZ-KRWDZBQOSA-N 0 0 455.045 4.598 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CCc2ccc(F)c(Br)c2C1 ZINC001461744165 1067929186 /nfs/dbraw/zinc/92/91/86/1067929186.db2.gz XMNPPWONBPOUKS-UHFFFAOYSA-N 0 0 454.752 4.746 20 0 JJADRN C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC001461742527 1067929246 /nfs/dbraw/zinc/92/92/46/1067929246.db2.gz FMGZBMCWEMVZGB-AREMUKBSSA-N 0 0 451.588 4.636 20 0 JJADRN Cc1ccc(-c2nc(CNc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001461756960 1067931331 /nfs/dbraw/zinc/93/13/31/1067931331.db2.gz RTFTZQZZJRXACP-HDICACEKSA-N 0 0 457.621 4.529 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(NCc3cnn(Cc4ccccc4Cl)c3)cc2)CC1 ZINC001461757999 1067931458 /nfs/dbraw/zinc/93/14/58/1067931458.db2.gz UWQUUCMPXATGLD-UHFFFAOYSA-N 0 0 459.015 4.618 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC001461759158 1067932168 /nfs/dbraw/zinc/93/21/68/1067932168.db2.gz PCOOAERCUIGMEU-AREMUKBSSA-N 0 0 454.636 4.738 20 0 JJADRN CC[C@@H](c1ccccc1)N(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(C)C ZINC001461763153 1067932208 /nfs/dbraw/zinc/93/22/08/1067932208.db2.gz JKLASFYRJGGVNJ-KRWDZBQOSA-N 0 0 456.377 4.994 20 0 JJADRN Cc1cc(C)cc(CNC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1 ZINC001461760282 1067932254 /nfs/dbraw/zinc/93/22/54/1067932254.db2.gz XLQXXIYEZGXDDE-UHFFFAOYSA-N 0 0 456.995 4.708 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)NCC(C)(C)CC(F)(F)F)c(=O)c23)cc1 ZINC001461762393 1067932292 /nfs/dbraw/zinc/93/22/92/1067932292.db2.gz CILFEECOSKTILW-UHFFFAOYSA-N 0 0 451.514 4.918 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2)cc1 ZINC001461777017 1067935379 /nfs/dbraw/zinc/93/53/79/1067935379.db2.gz QQLRKCIFKDPUNI-UHFFFAOYSA-N 0 0 452.551 4.768 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)c(F)c1 ZINC001461786456 1067937274 /nfs/dbraw/zinc/93/72/74/1067937274.db2.gz ONMBLOKIFUBAFB-GOSISDBHSA-N 0 0 450.348 4.896 20 0 JJADRN COCCOCCOc1ccc(NCc2nc3c(s2)C[C@H](C)CC3)cc1Br ZINC001461790512 1067937602 /nfs/dbraw/zinc/93/76/02/1067937602.db2.gz YOQXHAWZJJGLFC-CQSZACIVSA-N 0 0 455.418 4.684 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(Cc2cccc(Cl)c2)CC(C)C)c(OC)c1 ZINC001461797725 1067938603 /nfs/dbraw/zinc/93/86/03/1067938603.db2.gz VLDYUVDHWXLTBQ-QFIPXVFZSA-N 0 0 458.986 4.647 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCC/C=C/c1ccc(Br)cc1 ZINC001461800051 1067939097 /nfs/dbraw/zinc/93/90/97/1067939097.db2.gz SJJIJCJKRCIKHK-HNQUOIGGSA-N 0 0 455.274 4.712 20 0 JJADRN C[C@]1(C(=O)NCC/C=C/c2ccc(Br)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001461800070 1067939099 /nfs/dbraw/zinc/93/90/99/1067939099.db2.gz SMOBNMONEITJAR-LNJOJYBOSA-N 0 0 455.396 4.911 20 0 JJADRN COCCOCCOc1cccc(NCc2cc(Br)ccc2Br)c1 ZINC001461800855 1067939102 /nfs/dbraw/zinc/93/91/02/1067939102.db2.gz URFRFZBEVFSHOD-UHFFFAOYSA-N 0 0 459.178 4.866 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC001461800128 1067939109 /nfs/dbraw/zinc/93/91/09/1067939109.db2.gz UOWBTGXNIGMEJW-UHFFFAOYSA-N 0 0 457.939 4.519 20 0 JJADRN COCCOc1ccc(NCc2c[nH]c(C(=O)OCc3ccccc3)c2)cc1Br ZINC001461801975 1067939398 /nfs/dbraw/zinc/93/93/98/1067939398.db2.gz UPYCPFDFUOHZNR-UHFFFAOYSA-N 0 0 459.340 4.772 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)cnn1-c1ccc(F)cc1 ZINC001461804913 1067939728 /nfs/dbraw/zinc/93/97/28/1067939728.db2.gz QMGGFXQUODTHOB-UHFFFAOYSA-N 0 0 455.534 4.660 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC001461804869 1067939754 /nfs/dbraw/zinc/93/97/54/1067939754.db2.gz PYXFSCJTWMATOD-UHFFFAOYSA-N 0 0 456.768 4.937 20 0 JJADRN O=C(COc1ccc(Br)cc1F)NCC/C=C/c1ccc(Br)cc1 ZINC001461803536 1067939772 /nfs/dbraw/zinc/93/97/72/1067939772.db2.gz VDFMGFKYXXHVOD-HNQUOIGGSA-N 0 0 457.137 4.949 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC001461806413 1067940179 /nfs/dbraw/zinc/94/01/79/1067940179.db2.gz ZLKVKEDDBBCBKM-UHFFFAOYSA-N 0 0 453.543 4.560 20 0 JJADRN CSc1cc(Br)ccc1C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC001461805372 1067940197 /nfs/dbraw/zinc/94/01/97/1067940197.db2.gz QSMYQBXOJZUKDK-UHFFFAOYSA-N 0 0 454.390 4.697 20 0 JJADRN COc1ccc(OC)c(CN[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809562 1067940437 /nfs/dbraw/zinc/94/04/37/1067940437.db2.gz GRZLHMRSBJGQJP-LVXARBLLSA-N 0 0 454.567 4.697 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCCc1nsc2ccccc21 ZINC001461811238 1067940544 /nfs/dbraw/zinc/94/05/44/1067940544.db2.gz CRRSKPWFSGANLY-BGVYSJOJSA-N 0 0 453.995 4.703 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001461808544 1067940593 /nfs/dbraw/zinc/94/05/93/1067940593.db2.gz ZMONKQWLPFFADW-JPEVHGAISA-N 0 0 450.988 4.855 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NCCc1nsc3ccccc13)N2C(=O)OC(C)(C)C ZINC001461816778 1067941239 /nfs/dbraw/zinc/94/12/39/1067941239.db2.gz VPBXKZBMGCQGQL-FQEVSTJZSA-N 0 0 455.555 4.769 20 0 JJADRN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001461818244 1067941740 /nfs/dbraw/zinc/94/17/40/1067941740.db2.gz RHPZYAKYQRUTEI-PBHICJAKSA-N 0 0 450.366 4.520 20 0 JJADRN Cn1ccnc1[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccc(F)c(F)c1 ZINC001461818103 1067941771 /nfs/dbraw/zinc/94/17/71/1067941771.db2.gz YBDSVYAJIDRVJU-QGZVFWFLSA-N 0 0 458.253 4.941 20 0 JJADRN O=C(Nc1ccccc1-c1ncco1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001461828675 1067942879 /nfs/dbraw/zinc/94/28/79/1067942879.db2.gz XMXYLYKMPDXAJW-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC001461835844 1067944035 /nfs/dbraw/zinc/94/40/35/1067944035.db2.gz IIOZZNXJKFPCLT-UHFFFAOYSA-N 0 0 457.452 4.846 20 0 JJADRN COC[C@@]1(C(=O)OC)CCCCN1C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001461835948 1067944170 /nfs/dbraw/zinc/94/41/70/1067944170.db2.gz JWSSPPSOHXWPDM-HSZRJFAPSA-N 0 0 459.589 4.971 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cc2)C1 ZINC001461839026 1067944605 /nfs/dbraw/zinc/94/46/05/1067944605.db2.gz LPDDGAKUHJVXRR-OKILXGFUSA-N 0 0 458.477 4.763 20 0 JJADRN NC(=O)CN(Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)Cc1ccccc1 ZINC001461846613 1067945767 /nfs/dbraw/zinc/94/57/67/1067945767.db2.gz ABPZGAQXFKFLTI-UHFFFAOYSA-N 0 0 456.443 4.647 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C1CCC(F)CC1 ZINC001461845804 1067945788 /nfs/dbraw/zinc/94/57/88/1067945788.db2.gz LJMVXSDCMPLAAA-KLAILNCOSA-N 0 0 458.555 4.793 20 0 JJADRN C[C@@H]1CN(Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848487 1067946211 /nfs/dbraw/zinc/94/62/11/1067946211.db2.gz CGWYMOSZLXQIPP-GOSISDBHSA-N 0 0 458.002 4.962 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC001461848285 1067946315 /nfs/dbraw/zinc/94/63/15/1067946315.db2.gz HLZOITPEIHLAOM-UHFFFAOYSA-N 0 0 459.432 4.558 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](C)CSc1ccc(F)cc1)C2 ZINC001461851920 1067947189 /nfs/dbraw/zinc/94/71/89/1067947189.db2.gz KLWHXBCPVPDMLX-SNVBAGLBSA-N 0 0 458.374 4.707 20 0 JJADRN C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461855806 1067948161 /nfs/dbraw/zinc/94/81/61/1067948161.db2.gz ZXHSDEVRRUUYGW-OAHLLOKOSA-N 0 0 458.883 4.696 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)CSc1ccc(Br)cc1)c1ccccc1 ZINC001461856507 1067948495 /nfs/dbraw/zinc/94/84/95/1067948495.db2.gz QLRJAXRBTSOXPB-NRFANRHFSA-N 0 0 450.398 4.915 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccsc2)CCOCC1 ZINC001546127829 1067948578 /nfs/dbraw/zinc/94/85/78/1067948578.db2.gz FYKJQZXJIQUJOU-UHFFFAOYSA-N 0 0 478.460 4.951 20 0 JJADRN C[C@@H]1C[C@H](OC(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001461859302 1067948831 /nfs/dbraw/zinc/94/88/31/1067948831.db2.gz RFLWHAOVNGLDFA-BEKAIBRUSA-N 0 0 471.457 4.801 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@H]1C ZINC001461865070 1067949975 /nfs/dbraw/zinc/94/99/75/1067949975.db2.gz IPTHWJLBIKYTCJ-YOJMASELSA-N 0 0 452.542 4.932 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3ccc(Cl)nc3n2)cc1 ZINC001461863990 1067950089 /nfs/dbraw/zinc/95/00/89/1067950089.db2.gz JJDQTMPNPZTGMA-QGZVFWFLSA-N 0 0 454.983 4.735 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1 ZINC001461864987 1067950120 /nfs/dbraw/zinc/95/01/20/1067950120.db2.gz FBRIVELMGUHMNA-QHCPKHFHSA-N 0 0 457.621 4.945 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@H]1C ZINC001461871320 1067951170 /nfs/dbraw/zinc/95/11/70/1067951170.db2.gz VUKMLWUBHOFASC-VNHYZAJKSA-N 0 0 455.386 4.795 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)[C@H]1C ZINC001461871158 1067951287 /nfs/dbraw/zinc/95/12/87/1067951287.db2.gz VLTAVDAZMUSADA-RVKKMQEKSA-N 0 0 457.537 4.925 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)[C@@H]1C ZINC001461871156 1067951365 /nfs/dbraw/zinc/95/13/65/1067951365.db2.gz VLTAVDAZMUSADA-RKVPGOIHSA-N 0 0 457.537 4.925 20 0 JJADRN COc1cc(Br)cc(C(=O)N2[C@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461872082 1067951640 /nfs/dbraw/zinc/95/16/40/1067951640.db2.gz ZMRBZMFCXULSSE-CPUCHLNUSA-N 0 0 455.393 4.612 20 0 JJADRN O=C(Nc1cccc(-c2nnsc2Cl)c1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001461871642 1067951754 /nfs/dbraw/zinc/95/17/54/1067951754.db2.gz XGQXJBAPMINGSC-UHFFFAOYSA-N 0 0 451.726 4.998 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1cnc(Br)c2ccccc12 ZINC001461872900 1067952165 /nfs/dbraw/zinc/95/21/65/1067952165.db2.gz PRWCJRFGXHSSLS-UHFFFAOYSA-N 0 0 454.093 4.916 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccccc1 ZINC001461876106 1067952540 /nfs/dbraw/zinc/95/25/40/1067952540.db2.gz YWHVIPCRXZJFBQ-QHCPKHFHSA-N 0 0 457.368 4.846 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2[C@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC001461880257 1067953223 /nfs/dbraw/zinc/95/32/23/1067953223.db2.gz ZNIHHYAAPPOAOQ-ZACQAIPSSA-N 0 0 459.612 4.973 20 0 JJADRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3cc(O)c(OC)cc3Br)n2)c1 ZINC001461879860 1067953257 /nfs/dbraw/zinc/95/32/57/1067953257.db2.gz AHMGHTWEMGTJIL-IBGZPJMESA-N 0 0 458.356 4.899 20 0 JJADRN CC(C)Sc1cc(Br)ccc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001461892796 1067955756 /nfs/dbraw/zinc/95/57/56/1067955756.db2.gz XOJGMPKEVGKKOP-UHFFFAOYSA-N 0 0 453.368 4.840 20 0 JJADRN CCOc1cc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893845 1067956314 /nfs/dbraw/zinc/95/63/14/1067956314.db2.gz CFBHJBGIMUROCC-HNNXBMFYSA-N 0 0 457.409 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899692 1067957479 /nfs/dbraw/zinc/95/74/79/1067957479.db2.gz ISYOEDCPGCGJGI-IBGZPJMESA-N 0 0 459.612 4.590 20 0 JJADRN COc1ccc(OC(=O)c2nc(C)sc2-c2ccccc2)cc1I ZINC001461900125 1067957606 /nfs/dbraw/zinc/95/76/06/1067957606.db2.gz MLPWKINFRUDXBW-UHFFFAOYSA-N 0 0 451.285 4.951 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461901258 1067957904 /nfs/dbraw/zinc/95/79/04/1067957904.db2.gz DAPAKMJTGBXXCX-VHHKXPHXSA-N 0 0 450.982 4.631 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001546127939 1067957928 /nfs/dbraw/zinc/95/79/28/1067957928.db2.gz JQUCNSIDANFZJK-UHFFFAOYSA-N 0 0 474.447 4.593 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCCC1 ZINC001546127958 1067958464 /nfs/dbraw/zinc/95/84/64/1067958464.db2.gz KFKQFZRZIXGXPS-MRXNPFEDSA-N 0 0 483.476 4.547 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN2CCC(Oc3ccc(F)cc3F)CC2)on1 ZINC001461905357 1067958791 /nfs/dbraw/zinc/95/87/91/1067958791.db2.gz RWXSPUJOLGPHDY-UHFFFAOYSA-N 0 0 451.514 4.756 20 0 JJADRN CS(=O)(=O)c1cc(OC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1F ZINC001461907863 1067959193 /nfs/dbraw/zinc/95/91/93/1067959193.db2.gz FJYFQPJNYKSPJK-UHFFFAOYSA-N 0 0 458.294 4.729 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC2CCOCC2)CCOCC1 ZINC001546128003 1067959240 /nfs/dbraw/zinc/95/92/40/1067959240.db2.gz LUSFXOGGTJELCN-UHFFFAOYSA-N 0 0 494.478 4.506 20 0 JJADRN Cc1cccc(C(=O)NC2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)CC2)c1 ZINC001461908565 1067959785 /nfs/dbraw/zinc/95/97/85/1067959785.db2.gz MAALPWAFPAKNMX-UHFFFAOYSA-N 0 0 457.361 4.522 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001546128026 1067960256 /nfs/dbraw/zinc/96/02/56/1067960256.db2.gz MGWLYKOIAAXJCU-UHFFFAOYSA-N 0 0 474.447 4.639 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001461915352 1067960817 /nfs/dbraw/zinc/96/08/17/1067960817.db2.gz VAUKGQCWFXIXNP-GFCCVEGCSA-N 0 0 458.347 4.837 20 0 JJADRN COc1ccc2c(c1)C=C(C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)CO2 ZINC001461919781 1067961072 /nfs/dbraw/zinc/96/10/72/1067961072.db2.gz OTSQLIODJJGWAT-UHFFFAOYSA-N 0 0 456.420 4.994 20 0 JJADRN COc1ccc(OC2CCN(Cc3c(Br)cncc3Br)CC2)cc1 ZINC001461917722 1067961077 /nfs/dbraw/zinc/96/10/77/1067961077.db2.gz CJIYLZMDXNHELM-UHFFFAOYSA-N 0 0 456.178 4.659 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc2ccccc21 ZINC001461922503 1067961845 /nfs/dbraw/zinc/96/18/45/1067961845.db2.gz UFFHWMNTWZWIBX-LJQANCHMSA-N 0 0 452.982 4.922 20 0 JJADRN COc1cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1OCC(F)F ZINC001461926292 1067962428 /nfs/dbraw/zinc/96/24/28/1067962428.db2.gz JUOOYFCJODTGQL-IBGZPJMESA-N 0 0 459.436 4.523 20 0 JJADRN NC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929683 1067962807 /nfs/dbraw/zinc/96/28/07/1067962807.db2.gz XSJFGRDTEPAZPD-ZDUSSCGKSA-N 0 0 459.171 4.791 20 0 JJADRN C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932839 1067963590 /nfs/dbraw/zinc/96/35/90/1067963590.db2.gz FCLNMHAADKSYGS-XBXLIOEISA-N 0 0 458.549 4.920 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOC[C@@H]4C)c(Cl)c3)n2)cc1F ZINC001461933086 1067963678 /nfs/dbraw/zinc/96/36/78/1067963678.db2.gz FGHVIABHMYLOPF-HNNXBMFYSA-N 0 0 458.921 4.634 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H]3CCc4ccc(Cl)cc43)cc2)cc1 ZINC001461935082 1067964024 /nfs/dbraw/zinc/96/40/24/1067964024.db2.gz SRAQHYNGSNKDCW-QHCPKHFHSA-N 0 0 454.979 4.891 20 0 JJADRN CN(C)c1cc(Cl)cc(Cl)c1CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934345 1067964079 /nfs/dbraw/zinc/96/40/79/1067964079.db2.gz JDPUIFRWVRYQPG-HNNXBMFYSA-N 0 0 451.316 4.950 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c1 ZINC001461938848 1067964808 /nfs/dbraw/zinc/96/48/08/1067964808.db2.gz RANSCMNIBWODRG-RLWLMLJZSA-N 0 0 454.636 4.796 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)Cc2c(F)ccc(Br)c2F)cc1Cl ZINC001461939371 1067964821 /nfs/dbraw/zinc/96/48/21/1067964821.db2.gz NPAUNDULMHHALX-LLVKDONJSA-N 0 0 459.718 4.787 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1Cl ZINC001461941505 1067965309 /nfs/dbraw/zinc/96/53/09/1067965309.db2.gz VNINONHAXKRLJL-INIZCTEOSA-N 0 0 459.974 4.842 20 0 JJADRN O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001461943716 1067965971 /nfs/dbraw/zinc/96/59/71/1067965971.db2.gz KRMCBXCQYUXYBS-UHFFFAOYSA-N 0 0 454.929 4.995 20 0 JJADRN O=C(NCc1ccnc(N2CCSCC2)c1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC001461945757 1067966409 /nfs/dbraw/zinc/96/64/09/1067966409.db2.gz OSWPKVDHROJEHJ-UHFFFAOYSA-N 0 0 453.995 4.797 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@]2(C)Cc2ccc(C)cc2)nnn1-c1cccc(Br)c1 ZINC001461948157 1067966731 /nfs/dbraw/zinc/96/67/31/1067966731.db2.gz VOSHRFVMYUTMFQ-QHCPKHFHSA-N 0 0 453.384 4.884 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CCO2)cc1 ZINC001461948125 1067966828 /nfs/dbraw/zinc/96/68/28/1067966828.db2.gz ROAZVHTXMPUHIL-FQEVSTJZSA-N 0 0 456.951 4.876 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1Cl ZINC001461948741 1067967215 /nfs/dbraw/zinc/96/72/15/1067967215.db2.gz ITUGWNDGPJPVTK-NSHDSACASA-N 0 0 455.363 4.509 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001461949276 1067967543 /nfs/dbraw/zinc/96/75/43/1067967543.db2.gz MHIJSLFLTRESMJ-UHFFFAOYSA-N 0 0 455.356 4.837 20 0 JJADRN COC[C@@]1(C)CN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CCO1 ZINC001461953461 1067967892 /nfs/dbraw/zinc/96/78/92/1067967892.db2.gz HWSFJZDGNBPPKX-OAQYLSRUSA-N 0 0 450.398 4.619 20 0 JJADRN COc1cc(C(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)cnc1Br ZINC001461951834 1067967622 /nfs/dbraw/zinc/96/76/22/1067967622.db2.gz FOTJWDXASNAOQS-UHFFFAOYSA-N 0 0 459.699 4.853 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1OCC ZINC001461953192 1067967895 /nfs/dbraw/zinc/96/78/95/1067967895.db2.gz STYUQMKPGXKXOT-UHFFFAOYSA-N 0 0 458.986 4.871 20 0 JJADRN O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2nc(C(F)(F)F)n3c2CCCC3)CC1 ZINC001461956579 1067968738 /nfs/dbraw/zinc/96/87/38/1067968738.db2.gz FDRFZELNEITXJG-UHFFFAOYSA-N 0 0 455.912 4.631 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1Br ZINC001461964770 1067970491 /nfs/dbraw/zinc/97/04/91/1067970491.db2.gz PKJRQUQFGFOWGC-QKKBWIMNSA-N 0 0 456.327 4.982 20 0 JJADRN CCOC(=O)Cn1cc(CN(Cc2ccco2)Cc2ccc(C)s2)c(-c2cccnc2)n1 ZINC001461966167 1067970798 /nfs/dbraw/zinc/97/07/98/1067970798.db2.gz BWKRKSZMOUKOCP-UHFFFAOYSA-N 0 0 450.564 4.674 20 0 JJADRN Cc1cncc(CCC(=O)Nc2cc(Br)cc(I)c2C)c1 ZINC001461969950 1067971380 /nfs/dbraw/zinc/97/13/80/1067971380.db2.gz SEVHRYBXWJYKCW-UHFFFAOYSA-N 0 0 459.125 4.637 20 0 JJADRN CSc1ccc(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)s1 ZINC001461970691 1067971840 /nfs/dbraw/zinc/97/18/40/1067971840.db2.gz JYLHNXHUMLDBLQ-UHFFFAOYSA-N 0 0 454.543 4.857 20 0 JJADRN Cc1ccc(-c2ncc(CN3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)s2)cc1C ZINC001461973105 1067972576 /nfs/dbraw/zinc/97/25/76/1067972576.db2.gz AENFVUJKJBFLPY-LJQANCHMSA-N 0 0 452.599 4.711 20 0 JJADRN COc1ccc(C(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)c(I)c1 ZINC001461974668 1067973061 /nfs/dbraw/zinc/97/30/61/1067973061.db2.gz LFTCZFUIBADMAI-KRWDZBQOSA-N 0 0 459.274 4.638 20 0 JJADRN CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001461976261 1067973407 /nfs/dbraw/zinc/97/34/07/1067973407.db2.gz QNNZWIQWUYJUPZ-UHFFFAOYSA-N 0 0 454.885 4.628 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986818 1067975362 /nfs/dbraw/zinc/97/53/62/1067975362.db2.gz BRKRAQSPVYFXGW-WNCULLNHSA-N 0 0 455.602 4.762 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986820 1067975592 /nfs/dbraw/zinc/97/55/92/1067975592.db2.gz BRKRAQSPVYFXGW-YIXXDRMTSA-N 0 0 455.602 4.762 20 0 JJADRN O=C(NC1CCN(Cc2cc(Br)ccc2Br)CC1)c1ccsc1 ZINC001461987318 1067976178 /nfs/dbraw/zinc/97/61/78/1067976178.db2.gz OKSWSHXAUNJHRP-UHFFFAOYSA-N 0 0 458.219 4.668 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(SC(F)(F)F)c1 ZINC001461996150 1067977153 /nfs/dbraw/zinc/97/71/53/1067977153.db2.gz KCRSGCBNMWYOCE-UHFFFAOYSA-N 0 0 458.527 4.654 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 ZINC001461998149 1067977633 /nfs/dbraw/zinc/97/76/33/1067977633.db2.gz IQBJMRLRPWULQV-UHFFFAOYSA-N 0 0 458.558 4.912 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001461997546 1067977646 /nfs/dbraw/zinc/97/76/46/1067977646.db2.gz PALUMCOZDCJNHL-INIZCTEOSA-N 0 0 452.498 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3o2)C1 ZINC001462002542 1067978141 /nfs/dbraw/zinc/97/81/41/1067978141.db2.gz WRSPTCKYEGLXAF-QGZVFWFLSA-N 0 0 453.564 4.859 20 0 JJADRN COCCN(C(=O)c1nc(NCc2ccco2)ncc1Cl)c1cc(Cl)cc(Cl)c1 ZINC001462005744 1067978675 /nfs/dbraw/zinc/97/86/75/1067978675.db2.gz RCEWUKNTELMPJO-UHFFFAOYSA-N 0 0 455.729 4.935 20 0 JJADRN CCN1c2ccc(NC(=O)c3cc(OC)ccc3OC(F)(F)F)cc2OCC(C)(C)C1=O ZINC001462009330 1067979654 /nfs/dbraw/zinc/97/96/54/1067979654.db2.gz ITIIUYNJUXOOIL-UHFFFAOYSA-N 0 0 452.429 4.618 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCCC[C@@H]3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001462013134 1067980370 /nfs/dbraw/zinc/98/03/70/1067980370.db2.gz RBPRHODEZPRDGW-STAYPELNSA-N 0 0 454.542 4.585 20 0 JJADRN CC(C)c1ncc(Cl)c(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)n1 ZINC001462013025 1067980523 /nfs/dbraw/zinc/98/05/23/1067980523.db2.gz VMNISSLJIMCSRT-UHFFFAOYSA-N 0 0 450.764 4.725 20 0 JJADRN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001462013264 1067980970 /nfs/dbraw/zinc/98/09/70/1067980970.db2.gz MTYCZTINRRXGHK-MSOLQXFVSA-N 0 0 455.274 4.525 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCO[C@H](Cc3ccccc3)C2)cc1Br ZINC001462015125 1067981384 /nfs/dbraw/zinc/98/13/84/1067981384.db2.gz SLKOGVJHDTYBCL-QFBILLFUSA-N 0 0 452.364 4.713 20 0 JJADRN Cc1cc(Br)c(CN2CCN(c3ccc(Cl)cn3)CC2)cc1Br ZINC001462014860 1067981482 /nfs/dbraw/zinc/98/14/82/1067981482.db2.gz XHQVGZXPBSMBQI-UHFFFAOYSA-N 0 0 459.613 4.891 20 0 JJADRN O=C(NCCc1ccccc1OCc1ccccc1)c1ccc(I)cc1 ZINC001462021352 1067982851 /nfs/dbraw/zinc/98/28/51/1067982851.db2.gz JYKBTLDXJSIZOM-UHFFFAOYSA-N 0 0 457.311 4.843 20 0 JJADRN COC(=O)c1cc(I)cc(NCc2ccsc2Br)c1 ZINC001462022144 1067982878 /nfs/dbraw/zinc/98/28/78/1067982878.db2.gz CHCBYKBBCNOSJS-UHFFFAOYSA-N 0 0 452.111 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCc3ccsc3C(F)(F)F)o2)CC1 ZINC001462021272 1067982916 /nfs/dbraw/zinc/98/29/16/1067982916.db2.gz NIKOPSNPZLASGY-UHFFFAOYSA-N 0 0 459.490 4.799 20 0 JJADRN O=C(c1nnn(-c2ccccc2)c1C(F)F)N1CCc2cc(Br)c(Cl)cc21 ZINC001462023583 1067983227 /nfs/dbraw/zinc/98/32/27/1067983227.db2.gz XIOKTHLMNFVNRJ-UHFFFAOYSA-N 0 0 453.674 4.824 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN(C)Cc1cnn(Cc2ccccc2)c1 ZINC001462024909 1067983676 /nfs/dbraw/zinc/98/36/76/1067983676.db2.gz JKAMDARHYOTBTD-UHFFFAOYSA-N 0 0 450.384 4.820 20 0 JJADRN O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1cc(Cl)ccc1-n1cncn1 ZINC001462028977 1067984625 /nfs/dbraw/zinc/98/46/25/1067984625.db2.gz AZBSTJVSGRKAPO-UHFFFAOYSA-N 0 0 451.726 4.998 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCC(OC(C)(C)C)CC3)cc2)cc1 ZINC001462036303 1067985400 /nfs/dbraw/zinc/98/54/00/1067985400.db2.gz SMQNARWGLJWHQH-UHFFFAOYSA-N 0 0 458.624 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3cc(-c4cccc(F)c4)no3)cccc2C1 ZINC001462036609 1067985658 /nfs/dbraw/zinc/98/56/58/1067985658.db2.gz DWANURAYSVJNNL-UHFFFAOYSA-N 0 0 451.498 4.704 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC001462035700 1067985673 /nfs/dbraw/zinc/98/56/73/1067985673.db2.gz RJCZFLOSXIFDPM-JCURWCKSSA-N 0 0 451.158 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3cccc(OC(F)(F)F)c3)cccc2C1 ZINC001462037175 1067985995 /nfs/dbraw/zinc/98/59/95/1067985995.db2.gz HYDLCLLZYWZOTO-UHFFFAOYSA-N 0 0 450.457 4.808 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)NCc1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CCC2 ZINC001462037942 1067986113 /nfs/dbraw/zinc/98/61/13/1067986113.db2.gz JYHMNDSVHQVIFC-HSZRJFAPSA-N 0 0 450.579 4.725 20 0 JJADRN O=C(CN1CCN(C/C=C/c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001462037890 1067986552 /nfs/dbraw/zinc/98/65/52/1067986552.db2.gz LCOTYXGCSNSPLM-OWOJBTEDSA-N 0 0 455.883 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3sccc3Br)cccc2C1 ZINC001462038312 1067986839 /nfs/dbraw/zinc/98/68/39/1067986839.db2.gz LTYKWCUKQHUVHD-UHFFFAOYSA-N 0 0 451.386 4.734 20 0 JJADRN Cc1cc(Br)ccc1C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001462041405 1067987371 /nfs/dbraw/zinc/98/73/71/1067987371.db2.gz ZIZVSHMIDLLDQU-UHFFFAOYSA-N 0 0 459.384 4.981 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001462042918 1067988381 /nfs/dbraw/zinc/98/83/81/1067988381.db2.gz FVQXZLARQXYHAE-KDURUIRLSA-N 0 0 459.587 4.577 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001462047367 1067989415 /nfs/dbraw/zinc/98/94/15/1067989415.db2.gz GKUZJFAMVFHEIJ-DECQCQTCSA-N 0 0 455.368 4.803 20 0 JJADRN C[C@H](c1ccc(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1)C(F)(F)F ZINC001462053259 1067991371 /nfs/dbraw/zinc/99/13/71/1067991371.db2.gz QDUNERKFPRDGBD-OAHLLOKOSA-N 0 0 451.489 4.724 20 0 JJADRN CC1(C)CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC001462051158 1067991428 /nfs/dbraw/zinc/99/14/28/1067991428.db2.gz NCPUPGJKYNJCFC-NTCAYCPXSA-N 0 0 459.011 4.677 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1CCc2c(Br)ccc(F)c2C1 ZINC001462053909 1067991870 /nfs/dbraw/zinc/99/18/70/1067991870.db2.gz VSGRMUKRXLPECD-UHFFFAOYSA-N 0 0 456.153 4.867 20 0 JJADRN COC(=O)c1oc(CNC(=O)c2ccccc2OCc2cccc(Br)c2)cc1C ZINC001462054196 1067991960 /nfs/dbraw/zinc/99/19/60/1067991960.db2.gz QNYUWMPJKFFKRI-UHFFFAOYSA-N 0 0 458.308 4.646 20 0 JJADRN O=C(NCc1ccccc1)C1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001462054096 1067991975 /nfs/dbraw/zinc/99/19/75/1067991975.db2.gz MHZZGWPMEXKLBF-UHFFFAOYSA-N 0 0 455.318 4.996 20 0 JJADRN CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1Br ZINC001462053974 1067992055 /nfs/dbraw/zinc/99/20/55/1067992055.db2.gz UUQOXJUCHIMSAM-BIGGFVEDSA-N 0 0 451.405 4.918 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCC(O)(c3ccccc3)CC2)cc1Br ZINC001462055387 1067992090 /nfs/dbraw/zinc/99/20/90/1067992090.db2.gz TXGYFDRSUYNMDE-INIZCTEOSA-N 0 0 452.364 4.753 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001462053886 1067992115 /nfs/dbraw/zinc/99/21/15/1067992115.db2.gz UAAJJZNILSEUIB-KYYHFZFISA-N 0 0 456.505 4.765 20 0 JJADRN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001462066465 1067995016 /nfs/dbraw/zinc/99/50/16/1067995016.db2.gz VRNPZXOBYGHILE-UHFFFAOYSA-N 0 0 458.199 4.937 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)nnn1-c1ccccc1Br ZINC001462066525 1067995044 /nfs/dbraw/zinc/99/50/44/1067995044.db2.gz SWXXUVCURLOTLG-QGZVFWFLSA-N 0 0 457.347 4.886 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3cc4c(Cl)cccc4nc3C)cc2F)n1 ZINC001462068608 1067995690 /nfs/dbraw/zinc/99/56/90/1067995690.db2.gz OYESFMYZYVEITA-UHFFFAOYSA-N 0 0 452.873 4.950 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3csc(-c4ccccc4C)n3)cc2F)n1 ZINC001462068584 1067995721 /nfs/dbraw/zinc/99/57/21/1067995721.db2.gz ORTLXHKBMCCHLT-UHFFFAOYSA-N 0 0 450.495 4.872 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN(C)Cc2ncc(C)c(OC)c2C)cc1Br ZINC001462077318 1067997470 /nfs/dbraw/zinc/99/74/70/1067997470.db2.gz ZXGCQQRWVSIHDM-HNNXBMFYSA-N 0 0 455.368 4.922 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCOCC1 ZINC001546129285 1067997531 /nfs/dbraw/zinc/99/75/31/1067997531.db2.gz AFTHSHDRENKZJX-FQEVSTJZSA-N 0 0 499.656 4.606 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CCOCC1 ZINC001546129294 1067997544 /nfs/dbraw/zinc/99/75/44/1067997544.db2.gz AKQBNGNAPNAGHT-KRWDZBQOSA-N 0 0 464.557 4.757 20 0 JJADRN C[S@@](=O)Cc1cc(N[C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1Cl ZINC001462085754 1067998987 /nfs/dbraw/zinc/99/89/87/1067998987.db2.gz IKGPDNXKIXYHSJ-VPTFNQTCSA-N 0 0 457.036 4.579 20 0 JJADRN CN(C)c1ccc(F)cc1CN(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093277 1068000464 /nfs/dbraw/zinc/00/04/64/1068000464.db2.gz HREZSIDSXCZPGI-IBGZPJMESA-N 0 0 451.380 4.844 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccnc1Sc1ccccc1 ZINC001462094749 1068001075 /nfs/dbraw/zinc/00/10/75/1068001075.db2.gz JKMFXRNVIUBGIX-LJQANCHMSA-N 0 0 457.477 4.787 20 0 JJADRN C[C@@H](CN(C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094112 1068001328 /nfs/dbraw/zinc/00/13/28/1068001328.db2.gz HQMURNYJSYGNSD-VIFPVBQESA-N 0 0 457.164 4.954 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462099604 1068002106 /nfs/dbraw/zinc/00/21/06/1068002106.db2.gz RHVQLBAASZKJQD-UGSOOPFHSA-N 0 0 458.402 4.825 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)c(F)c2)cc1 ZINC001462100659 1068002386 /nfs/dbraw/zinc/00/23/86/1068002386.db2.gz ZVUIHSPNILPGPY-NRFANRHFSA-N 0 0 456.876 4.829 20 0 JJADRN COC(=O)c1ccc(COc2ccc(CNc3cc(C(=O)OC)c(C)cc3C)cc2OC)o1 ZINC001462101119 1068002553 /nfs/dbraw/zinc/00/25/53/1068002553.db2.gz BXCBEVKZKVMOMF-UHFFFAOYSA-N 0 0 453.491 4.669 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)o2)cc1 ZINC001462102119 1068002736 /nfs/dbraw/zinc/00/27/36/1068002736.db2.gz YQEAPYVLJZJZKS-LJQANCHMSA-N 0 0 456.420 4.703 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)ccc1Br ZINC001462101886 1068002970 /nfs/dbraw/zinc/00/29/70/1068002970.db2.gz AMTCNELOOFFSLU-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC001462104500 1068003652 /nfs/dbraw/zinc/00/36/52/1068003652.db2.gz OKXVBOSGCPFWLS-YQOVMPOYSA-N 0 0 455.396 4.848 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462105913 1068004165 /nfs/dbraw/zinc/00/41/65/1068004165.db2.gz KFRZQMZOWRQUGE-AWEZNQCLSA-N 0 0 451.951 4.688 20 0 JJADRN O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001462111263 1068006769 /nfs/dbraw/zinc/00/67/69/1068006769.db2.gz XPOJTJGVFNUMDV-UHFFFAOYSA-N 0 0 459.489 4.878 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@@H](C)[C@H]2C)CCOCC1 ZINC001546129524 1068009059 /nfs/dbraw/zinc/00/90/59/1068009059.db2.gz JFYDDJXMCHEUFD-CABCVRRESA-N 0 0 468.465 4.573 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(OCCCOC)CC2)CCC1 ZINC001546129547 1068010953 /nfs/dbraw/zinc/01/09/53/1068010953.db2.gz KEPIZNCKRWRGQP-UHFFFAOYSA-N 0 0 494.478 4.648 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)c2ccccc12 ZINC001462126831 1068011234 /nfs/dbraw/zinc/01/12/34/1068011234.db2.gz RBJTUDWRNBCNLN-UHFFFAOYSA-N 0 0 452.511 4.544 20 0 JJADRN CC(C)(NC(=O)c1cc(Br)cc2c1OCCO2)c1nc2cc(Cl)ccc2o1 ZINC001462126553 1068011347 /nfs/dbraw/zinc/01/13/47/1068011347.db2.gz WDNFNNCZYJZVQR-UHFFFAOYSA-N 0 0 451.704 4.680 20 0 JJADRN CCOC(=O)[C@H](N[C@@H](C)COc1ccc2cc(Br)ccc2c1)c1cccc(O)c1 ZINC001462129740 1068011638 /nfs/dbraw/zinc/01/16/38/1068011638.db2.gz MPEUEGDQPKUCEM-OYHNWAKOSA-N 0 0 458.352 4.969 20 0 JJADRN CCOC(=O)[C@H](N[C@H](C)COc1ccc2cc(Br)ccc2c1)c1cccc(O)c1 ZINC001462129730 1068011701 /nfs/dbraw/zinc/01/17/01/1068011701.db2.gz MPEUEGDQPKUCEM-IVZQSRNASA-N 0 0 458.352 4.969 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CN2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC001462129822 1068011956 /nfs/dbraw/zinc/01/19/56/1068011956.db2.gz OVKIKRCTSRXCPA-HXUWFJFHSA-N 0 0 450.604 4.993 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546129591 1068013054 /nfs/dbraw/zinc/01/30/54/1068013054.db2.gz LOEHBBKIKKMRNX-INIZCTEOSA-N 0 0 491.478 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cnc(F)c(Br)c2)cc1 ZINC001462143228 1068014288 /nfs/dbraw/zinc/01/42/88/1068014288.db2.gz BJHQDHJCUDQHGO-GOEBONIOSA-N 0 0 450.308 4.616 20 0 JJADRN C[C@@H](NCc1cccc(F)c1I)c1noc(-c2ccc(Cl)cc2)n1 ZINC001462145904 1068014879 /nfs/dbraw/zinc/01/48/79/1068014879.db2.gz JSGVAGFRPOMGBL-SNVBAGLBSA-N 0 0 457.674 4.985 20 0 JJADRN C[C@H](NCc1ccc(F)cc1I)c1noc(-c2ccc(Cl)cc2)n1 ZINC001462146113 1068014942 /nfs/dbraw/zinc/01/49/42/1068014942.db2.gz LYRMRZXHWBLYRG-JTQLQIEISA-N 0 0 457.674 4.985 20 0 JJADRN CO[C@H]1CC[C@@H](C)N(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001462146136 1068015012 /nfs/dbraw/zinc/01/50/12/1068015012.db2.gz OKQQZSYLTLPTDH-CJNGLKHVSA-N 0 0 450.486 4.654 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC001462150484 1068016028 /nfs/dbraw/zinc/01/60/28/1068016028.db2.gz YMAZLXLSVHPQEE-ZWKOTPCHSA-N 0 0 478.515 4.800 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1Br)C[C@@H](O)COc1ccccc1 ZINC001462152349 1068017129 /nfs/dbraw/zinc/01/71/29/1068017129.db2.gz APKQUXMUVNCCMC-QGZVFWFLSA-N 0 0 457.206 4.862 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCO)Cc2ccccc2OC)CCC1 ZINC001546129710 1068018166 /nfs/dbraw/zinc/01/81/66/1068018166.db2.gz PSBQWFNRQRPKMQ-UHFFFAOYSA-N 0 0 488.430 4.624 20 0 JJADRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC001462163929 1068019820 /nfs/dbraw/zinc/01/98/20/1068019820.db2.gz XFHOLXUISNFWEM-YLJYHZDGSA-N 0 0 453.970 4.797 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CCC1 ZINC001546129770 1068019934 /nfs/dbraw/zinc/01/99/34/1068019934.db2.gz SQYGMQXMBIRSIF-DOMZBBRYSA-N 0 0 476.341 4.772 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC001462167054 1068020641 /nfs/dbraw/zinc/02/06/41/1068020641.db2.gz OLADYXGYBVCVNL-GOSISDBHSA-N 0 0 453.951 4.519 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC[C@@H](SC)C2)CCOCC1 ZINC001546129810 1068021028 /nfs/dbraw/zinc/02/10/28/1068021028.db2.gz VEYXQENSONIWRH-QGZVFWFLSA-N 0 0 482.492 4.964 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC[C@H](SC)C2)CCOCC1 ZINC001546129809 1068021109 /nfs/dbraw/zinc/02/11/09/1068021109.db2.gz VEYXQENSONIWRH-KRWDZBQOSA-N 0 0 482.492 4.964 20 0 JJADRN Cc1ccc2sc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)OC(C)(C)C)C3)nc2c1C ZINC001462171922 1068021347 /nfs/dbraw/zinc/02/13/47/1068021347.db2.gz NDOPRRSMNXETGF-GOSISDBHSA-N 0 0 450.564 4.828 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC[C@H](C)CC2)CCOCC1 ZINC001546129844 1068021434 /nfs/dbraw/zinc/02/14/34/1068021434.db2.gz WHNKRUAWKHUOOJ-IBGZPJMESA-N 0 0 472.630 4.804 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC[C@@H](C)CC2)CCOCC1 ZINC001546129845 1068021608 /nfs/dbraw/zinc/02/16/08/1068021608.db2.gz WHNKRUAWKHUOOJ-LJQANCHMSA-N 0 0 472.630 4.804 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC[C@H]1CC=CCC1)Nc1ccc(Br)cc1 ZINC001462175167 1068022290 /nfs/dbraw/zinc/02/22/90/1068022290.db2.gz LAKZYDPANAHRHP-KRWDZBQOSA-N 0 0 457.368 4.943 20 0 JJADRN O=C(CCC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NC(c1ccccc1)c1ccccc1 ZINC001462176526 1068022348 /nfs/dbraw/zinc/02/23/48/1068022348.db2.gz MXPVREUOUGWAAR-KCWPFWIISA-N 0 0 464.512 4.597 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001462176785 1068022485 /nfs/dbraw/zinc/02/24/85/1068022485.db2.gz MHNSASZICJVWEE-RRFJBIMHSA-N 0 0 464.385 4.629 20 0 JJADRN O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1ccc(OC(F)F)c(Br)c1 ZINC001462178817 1068023055 /nfs/dbraw/zinc/02/30/55/1068023055.db2.gz UWNHIDJKGLZEKY-APHBMKBZSA-N 0 0 473.111 4.881 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC001462181607 1068023927 /nfs/dbraw/zinc/02/39/27/1068023927.db2.gz AQFBUOWWMHDGTE-AREMUKBSSA-N 0 0 452.570 4.881 20 0 JJADRN O=C(NCc1cc(F)c(Br)cc1F)c1cc(Br)cc2cccnc21 ZINC001462184328 1068024729 /nfs/dbraw/zinc/02/47/29/1068024729.db2.gz HSERWTRIYLILNH-UHFFFAOYSA-N 0 0 456.084 4.968 20 0 JJADRN COc1cc(C(=O)NCC[C@H]2CCSC2)ccc1OCc1ccc(Br)s1 ZINC001462197413 1068026874 /nfs/dbraw/zinc/02/68/74/1068026874.db2.gz VTJUJDUTKNLHLO-ZDUSSCGKSA-N 0 0 456.427 4.971 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN1CCOCC1)c1ccccc1Cl ZINC001462196447 1068026939 /nfs/dbraw/zinc/02/69/39/1068026939.db2.gz BJPAZKYEWJHJNH-QGZVFWFLSA-N 0 0 454.920 4.903 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N(CCN3CCOCC3)c3ccccc3Cl)ccc2c1 ZINC001462196809 1068027069 /nfs/dbraw/zinc/02/70/69/1068027069.db2.gz HITGZDURUMQBQY-XFFZJAGNSA-N 0 0 450.966 4.880 20 0 JJADRN Cc1nc(Cl)c(Cl)cc1C(=O)N1CCOc2ccc(CNC(=O)OC(C)(C)C)cc21 ZINC001462195757 1068027099 /nfs/dbraw/zinc/02/70/99/1068027099.db2.gz KYFOCUWQOBZNNZ-UHFFFAOYSA-N 0 0 452.338 4.761 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N(CCN1CCOCC1)c1ccccc1Cl ZINC001462198713 1068027378 /nfs/dbraw/zinc/02/73/78/1068027378.db2.gz NSRSDXPBAUGLTC-UHFFFAOYSA-N 0 0 457.785 4.781 20 0 JJADRN COc1cccc2c1OCC[C@@H]2OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462198783 1068027545 /nfs/dbraw/zinc/02/75/45/1068027545.db2.gz MZWNFHLHVXUDDA-ROUUACIJSA-N 0 0 450.318 4.674 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1c(Cl)ccc2cnccc21 ZINC001462202638 1068028333 /nfs/dbraw/zinc/02/83/33/1068028333.db2.gz GFHKESKTEUUNJC-UHFFFAOYSA-N 0 0 457.983 4.634 20 0 JJADRN CCCOc1c(Br)cc(C(=O)O[C@@H]2CCOc3c(OC)cccc32)cc1OC ZINC001462201591 1068028473 /nfs/dbraw/zinc/02/84/73/1068028473.db2.gz SVWCXRDBRGGLML-MRXNPFEDSA-N 0 0 451.313 4.936 20 0 JJADRN O=C(OCc1csc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001462206535 1068028873 /nfs/dbraw/zinc/02/88/73/1068028873.db2.gz FYZZSABNQUSPDS-UHFFFAOYSA-N 0 0 453.891 4.562 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)Cc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)ccc12 ZINC001462218830 1068030664 /nfs/dbraw/zinc/03/06/64/1068030664.db2.gz VVIQUFPDUHSCET-SFHVURJKSA-N 0 0 452.551 4.889 20 0 JJADRN CC[C@@H]1CN(Cc2ccccc2Oc2ccc(Br)cc2F)C[C@H](C)S1(=O)=O ZINC001462223287 1068031715 /nfs/dbraw/zinc/03/17/15/1068031715.db2.gz DVQVFHNJQVOTKX-WMLDXEAASA-N 0 0 456.377 4.778 20 0 JJADRN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001462222984 1068031750 /nfs/dbraw/zinc/03/17/50/1068031750.db2.gz SXJIQGANBFHQPV-KRWDZBQOSA-N 0 0 459.443 4.799 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222826 1068031845 /nfs/dbraw/zinc/03/18/45/1068031845.db2.gz CTOZIYFMRLIOTG-DLBZAZTESA-N 0 0 452.621 4.713 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2cccc(I)c2)C1 ZINC001462224431 1068032292 /nfs/dbraw/zinc/03/22/92/1068032292.db2.gz GUHKPMRCMXNULV-QFBILLFUSA-N 0 0 456.368 4.514 20 0 JJADRN Cc1cccc(CN2CCO[C@@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229218 1068033171 /nfs/dbraw/zinc/03/31/71/1068033171.db2.gz CPXYHUPYHMUVBR-KRWDZBQOSA-N 0 0 459.409 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001462230110 1068033746 /nfs/dbraw/zinc/03/37/46/1068033746.db2.gz RSSPXNZZNXMDSX-QUZZAMIASA-N 0 0 456.961 4.998 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NCc1cc(Cl)cc(Cl)c1F ZINC001462231079 1068033826 /nfs/dbraw/zinc/03/38/26/1068033826.db2.gz WZKYRQXXTRUMNH-UHFFFAOYSA-N 0 0 456.301 4.839 20 0 JJADRN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001462233156 1068034351 /nfs/dbraw/zinc/03/43/51/1068034351.db2.gz XABJKBDLWUCBJQ-NPMXOYFQSA-N 0 0 450.888 4.734 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC001462232234 1068034376 /nfs/dbraw/zinc/03/43/76/1068034376.db2.gz DCACDERDLJDUOE-OAQYLSRUSA-N 0 0 459.999 4.930 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC001462234551 1068034636 /nfs/dbraw/zinc/03/46/36/1068034636.db2.gz LUCCWMVHFWLZFM-MRXNPFEDSA-N 0 0 454.514 4.761 20 0 JJADRN COc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCC2)cc1I ZINC001462235448 1068035361 /nfs/dbraw/zinc/03/53/61/1068035361.db2.gz RPDREYFBULLHTJ-UHFFFAOYSA-N 0 0 455.723 4.805 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1OC1CCOCC1 ZINC001462242332 1068036319 /nfs/dbraw/zinc/03/63/19/1068036319.db2.gz XAIOSGMMPHUVQT-AWEZNQCLSA-N 0 0 451.336 4.975 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)c1C(F)F ZINC001462243311 1068036564 /nfs/dbraw/zinc/03/65/64/1068036564.db2.gz LISDAAOACXINGD-UHFFFAOYSA-N 0 0 453.415 4.600 20 0 JJADRN CC(C)[C@@H]1N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC12CCCCCC2 ZINC001462244020 1068037017 /nfs/dbraw/zinc/03/70/17/1068037017.db2.gz KDJIVFRMMXGZMD-LPHOPBHVSA-N 0 0 459.077 4.762 20 0 JJADRN C[C@H](NC(=O)c1oc2ccccc2c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462243411 1068037166 /nfs/dbraw/zinc/03/71/66/1068037166.db2.gz YGTHUTBMBGJFOG-ZDUSSCGKSA-N 0 0 451.361 4.961 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NCC(C)(C)CNC(=O)OC(C)(C)C)cc2nc1C(F)(F)F ZINC001462252900 1068038544 /nfs/dbraw/zinc/03/85/44/1068038544.db2.gz XOHOEWIKPYUOSN-AWEZNQCLSA-N 0 0 458.525 4.961 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462254472 1068038902 /nfs/dbraw/zinc/03/89/02/1068038902.db2.gz DNKCTPHGRNEXFU-UHFFFAOYSA-N 0 0 454.111 4.663 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001462254360 1068038913 /nfs/dbraw/zinc/03/89/13/1068038913.db2.gz BETKVVKWCATWIT-UHFFFAOYSA-N 0 0 453.365 4.714 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257318 1068039537 /nfs/dbraw/zinc/03/95/37/1068039537.db2.gz GHLLQMUOCWYOGL-IBGZPJMESA-N 0 0 459.409 4.603 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1csc(C(F)(F)F)c1 ZINC001462257412 1068039573 /nfs/dbraw/zinc/03/95/73/1068039573.db2.gz IOZSGNDYGWMEOB-HNNXBMFYSA-N 0 0 452.292 4.884 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCc3cccc(Br)c32)cc1I ZINC001462259730 1068040129 /nfs/dbraw/zinc/04/01/29/1068040129.db2.gz HSVMHZLYIIZCSD-UHFFFAOYSA-N 0 0 456.121 4.873 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262392 1068040646 /nfs/dbraw/zinc/04/06/46/1068040646.db2.gz UKBFAMCHAZVIJC-MHZLTWQESA-N 0 0 458.558 4.621 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)cc1 ZINC001462264853 1068041175 /nfs/dbraw/zinc/04/11/75/1068041175.db2.gz FNDLVGYEFKVQEJ-IYBDPMFKSA-N 0 0 452.942 4.704 20 0 JJADRN Cc1cc(C(C)(C)C)c(C)cc1OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001462286466 1068043974 /nfs/dbraw/zinc/04/39/74/1068043974.db2.gz ZFCBMRXMDBERMX-RTBURBONSA-N 0 0 459.608 4.618 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)/C=C/c1nc2ccccc2s1 ZINC001462287776 1068044004 /nfs/dbraw/zinc/04/40/04/1068044004.db2.gz JDASRIFJXVNPOG-OAGJVSPASA-N 0 0 451.367 4.506 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)COc1ccc(C(C)C)c(C)c1 ZINC001462287463 1068044085 /nfs/dbraw/zinc/04/40/85/1068044085.db2.gz HIQWNRCLOPQAFD-LJQANCHMSA-N 0 0 454.386 4.694 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001462290559 1068044507 /nfs/dbraw/zinc/04/45/07/1068044507.db2.gz DZPAOLOKJBJESJ-INIZCTEOSA-N 0 0 453.745 4.699 20 0 JJADRN C[C@@H]1C[C@H]1c1cc(NC(=O)COCCc2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC001462288900 1068044627 /nfs/dbraw/zinc/04/46/27/1068044627.db2.gz DXTUXGBNYWTLEN-OXQOHEQNSA-N 0 0 454.368 4.956 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1ccnc(SC(C)(C)C)c1 ZINC001462293547 1068045727 /nfs/dbraw/zinc/04/57/27/1068045727.db2.gz JFQSTOARPZNMRE-HNNXBMFYSA-N 0 0 457.415 4.783 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1S(C)(=O)=O ZINC001462297958 1068046439 /nfs/dbraw/zinc/04/64/39/1068046439.db2.gz BMGWDRROVTZTHY-OAQYLSRUSA-N 0 0 457.489 4.794 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001462299724 1068046928 /nfs/dbraw/zinc/04/69/28/1068046928.db2.gz SJQQUNKFFYYJNC-CYBMUJFWSA-N 0 0 454.239 4.655 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)o1 ZINC001462308574 1068047809 /nfs/dbraw/zinc/04/78/09/1068047809.db2.gz KWQSEPRVKWRDDJ-CMQXMCPJSA-N 0 0 451.544 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3nc(Cl)ccc3Br)CC2)C1 ZINC001462310193 1068048119 /nfs/dbraw/zinc/04/81/19/1068048119.db2.gz ANGWHSPXXYQWEN-HNNXBMFYSA-N 0 0 458.828 4.967 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001462311498 1068048728 /nfs/dbraw/zinc/04/87/28/1068048728.db2.gz SDPOGDAZAOMBJS-IBGZPJMESA-N 0 0 456.464 4.893 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC)CC ZINC001462315352 1068049534 /nfs/dbraw/zinc/04/95/34/1068049534.db2.gz JHFWTPIODHJVCC-FQEVSTJZSA-N 0 0 453.970 4.767 20 0 JJADRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC001462314336 1068049758 /nfs/dbraw/zinc/04/97/58/1068049758.db2.gz HJRROZFVUOHKJE-JOCHJYFZSA-N 0 0 453.583 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CN1CC(Cc2ccccc2OC(F)(F)F)C1)CC(F)(F)F ZINC001462321212 1068050582 /nfs/dbraw/zinc/05/05/82/1068050582.db2.gz KYZKYOMZTCIHHX-OAHLLOKOSA-N 0 0 456.427 4.905 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CCCC1 ZINC001546130798 1068050762 /nfs/dbraw/zinc/05/07/62/1068050762.db2.gz DRXRBPHFVNJJNF-FQEVSTJZSA-N 0 0 474.447 4.783 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](COC)c3cccc(Br)c3)c12 ZINC001462322279 1068051087 /nfs/dbraw/zinc/05/10/87/1068051087.db2.gz JXOREBDCPFWBES-IBGZPJMESA-N 0 0 458.356 4.933 20 0 JJADRN Cc1cc(Br)cn2c(CN3CC(Cc4cccc(OC(F)(F)F)c4)C3)cnc12 ZINC001462322572 1068051147 /nfs/dbraw/zinc/05/11/47/1068051147.db2.gz SVNFJQDSECOTSZ-UHFFFAOYSA-N 0 0 454.290 4.978 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1 ZINC001462325402 1068051467 /nfs/dbraw/zinc/05/14/67/1068051467.db2.gz IHVOZCILYJBKNY-QGZVFWFLSA-N 0 0 459.575 4.941 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1 ZINC001462325396 1068051638 /nfs/dbraw/zinc/05/16/38/1068051638.db2.gz IHVOZCILYJBKNY-KRWDZBQOSA-N 0 0 459.575 4.941 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(OCC(F)(F)C(F)F)nc4)c3)[nH]c2n1 ZINC001462326584 1068051908 /nfs/dbraw/zinc/05/19/08/1068051908.db2.gz QBLSLLVKAMZBFV-UHFFFAOYSA-N 0 0 459.403 4.860 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)Cc1c[nH]c2cccc(OCC)c12 ZINC001462328845 1068052131 /nfs/dbraw/zinc/05/21/31/1068052131.db2.gz DGUXCMNAYPKVAU-UHFFFAOYSA-N 0 0 459.340 4.995 20 0 JJADRN COc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc(NC(C)=O)c1OC ZINC001462328986 1068052318 /nfs/dbraw/zinc/05/23/18/1068052318.db2.gz FEIFRLSUOLJEPO-QFIPXVFZSA-N 0 0 450.539 4.590 20 0 JJADRN O=C(Nc1cncc(C(F)F)c1)c1cc(Br)ccc1I ZINC001462333018 1068053168 /nfs/dbraw/zinc/05/31/68/1068053168.db2.gz DBOLKYDLZIRUNC-UHFFFAOYSA-N 0 0 453.024 4.639 20 0 JJADRN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001462341212 1068054795 /nfs/dbraw/zinc/05/47/95/1068054795.db2.gz UBDNMKZZUMYBGE-DJJJIMSYSA-N 0 0 453.327 4.578 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Br)c(Br)c2)c1 ZINC001462341634 1068055265 /nfs/dbraw/zinc/05/52/65/1068055265.db2.gz OZXOBOUEEYADRK-JSGCOSHPSA-N 0 0 455.146 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)C1 ZINC001462343478 1068055406 /nfs/dbraw/zinc/05/54/06/1068055406.db2.gz IFGLFQCVIQKBOH-YLJYHZDGSA-N 0 0 457.546 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)C1 ZINC001462343472 1068055440 /nfs/dbraw/zinc/05/54/40/1068055440.db2.gz IFGLFQCVIQKBOH-PXNSSMCTSA-N 0 0 457.546 4.661 20 0 JJADRN CC(F)(F)c1c(F)cccc1NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001462343857 1068055651 /nfs/dbraw/zinc/05/56/51/1068055651.db2.gz KFUCACKVGWBOMU-UHFFFAOYSA-N 0 0 454.495 4.646 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)ccc1NC(=O)CC(C)C ZINC001462345788 1068055856 /nfs/dbraw/zinc/05/58/56/1068055856.db2.gz UGTSYAAGDPUBRR-RBBKRZOGSA-N 0 0 457.615 4.841 20 0 JJADRN CC(F)(F)c1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001462345195 1068055958 /nfs/dbraw/zinc/05/59/58/1068055958.db2.gz FUAYZOVLZDFRBE-HNNXBMFYSA-N 0 0 451.514 4.828 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC2CCCCC2)CCC1 ZINC001546130980 1068056216 /nfs/dbraw/zinc/05/62/16/1068056216.db2.gz KXTIMSVPTLDPND-UHFFFAOYSA-N 0 0 473.687 4.792 20 0 JJADRN COCc1cc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)ccc1OC ZINC001462347380 1068056259 /nfs/dbraw/zinc/05/62/59/1068056259.db2.gz XPCMFEUXJIZLBL-UHFFFAOYSA-N 0 0 453.383 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3ccccc3F)nc2)C1 ZINC001462348045 1068056792 /nfs/dbraw/zinc/05/67/92/1068056792.db2.gz GOEADMOVJNVYRW-AZUAARDMSA-N 0 0 455.530 4.875 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462350689 1068057397 /nfs/dbraw/zinc/05/73/97/1068057397.db2.gz SSLHJAZQSIGMPG-HKUYNNGSSA-N 0 0 458.990 4.696 20 0 JJADRN Cc1c(Br)cc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)cc1Br ZINC001462354929 1068057845 /nfs/dbraw/zinc/05/78/45/1068057845.db2.gz GQKLJHNQOORFNN-SFHVURJKSA-N 0 0 458.238 4.791 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001546131046 1068057906 /nfs/dbraw/zinc/05/79/06/1068057906.db2.gz NLPGNEIEVMJXMN-CQSZACIVSA-N 0 0 481.822 4.941 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462356802 1068058199 /nfs/dbraw/zinc/05/81/99/1068058199.db2.gz NTWHKPJIUIEACQ-AWEZNQCLSA-N 0 0 454.258 4.943 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(CCC(F)(F)F)CC2CC2)CC1 ZINC001546131058 1068058774 /nfs/dbraw/zinc/05/87/74/1068058774.db2.gz NTQFINVKOVIESK-UHFFFAOYSA-N 0 0 470.561 4.708 20 0 JJADRN COc1cc(F)c(Br)cc1NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462358193 1068058905 /nfs/dbraw/zinc/05/89/05/1068058905.db2.gz RDTSUBUCHGIFCI-UHFFFAOYSA-N 0 0 456.312 4.531 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@H](OC)C(C)(C)C2)CCOCC1 ZINC001546131097 1068059488 /nfs/dbraw/zinc/05/94/88/1068059488.db2.gz OMOGOTZOTVSFDI-INIZCTEOSA-N 0 0 483.476 4.837 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3cc4c(cncc4Br)s3)nc21 ZINC001462363409 1068060050 /nfs/dbraw/zinc/06/00/50/1068060050.db2.gz UILTUPVEFBGVID-UHFFFAOYSA-N 0 0 450.339 4.938 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCO[C@@H](c4cccc(F)c4)[C@@H]3C)cs2)cc1 ZINC001462364984 1068060481 /nfs/dbraw/zinc/06/04/81/1068060481.db2.gz AQVSZYFBGXREMB-QMHKHESXSA-N 0 0 455.555 4.937 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCN(CCOC)CC2)CCC1 ZINC001546131111 1068060796 /nfs/dbraw/zinc/06/07/96/1068060796.db2.gz PDLQLOPIRJYSHM-UHFFFAOYSA-N 0 0 496.881 4.710 20 0 JJADRN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC001462363690 1068060825 /nfs/dbraw/zinc/06/08/25/1068060825.db2.gz JOHJFIPCWDXAMH-JOCHJYFZSA-N 0 0 451.014 4.886 20 0 JJADRN Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]3C)cnc12 ZINC001462370671 1068061306 /nfs/dbraw/zinc/06/13/06/1068061306.db2.gz ACCDXIOTKXNMNJ-OAGGEKHMSA-N 0 0 451.409 4.623 20 0 JJADRN COCCC1(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462374813 1068062367 /nfs/dbraw/zinc/06/23/67/1068062367.db2.gz SFFYQTCMAJRAHO-SFHVURJKSA-N 0 0 453.023 4.831 20 0 JJADRN COCCC1(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462374804 1068062522 /nfs/dbraw/zinc/06/25/22/1068062522.db2.gz SFFYQTCMAJRAHO-GOSISDBHSA-N 0 0 453.023 4.831 20 0 JJADRN COC(=O)c1ccc(CNc2cnn(Cc3cc(F)ccc3Cl)c2)c(Br)c1 ZINC001462377747 1068062791 /nfs/dbraw/zinc/06/27/91/1068062791.db2.gz YHMKCUYMGAAJSR-UHFFFAOYSA-N 0 0 452.711 4.885 20 0 JJADRN COc1cc(Br)c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1O ZINC001462386307 1068063868 /nfs/dbraw/zinc/06/38/68/1068063868.db2.gz NKFXXASOMOSZSO-LZWOXQAQSA-N 0 0 457.409 4.535 20 0 JJADRN COc1cc(Br)c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1O ZINC001462385351 1068064060 /nfs/dbraw/zinc/06/40/60/1068064060.db2.gz NKFXXASOMOSZSO-DZKIICNBSA-N 0 0 457.409 4.535 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001462387377 1068064192 /nfs/dbraw/zinc/06/41/92/1068064192.db2.gz KMRFALKFCZUJBR-QGZVFWFLSA-N 0 0 450.000 4.697 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC001462386980 1068064245 /nfs/dbraw/zinc/06/42/45/1068064245.db2.gz IWOIRRBXWXRCHA-CQSZACIVSA-N 0 0 453.295 4.849 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCS[C@@H](C)C2)CCOCC1 ZINC001546131247 1068064406 /nfs/dbraw/zinc/06/44/06/1068064406.db2.gz UTOIAJSCNZZPHV-INIZCTEOSA-N 0 0 495.487 4.865 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1 ZINC001462408052 1068067172 /nfs/dbraw/zinc/06/71/72/1068067172.db2.gz NUEPIGWPCILOJZ-MDWZMJQESA-N 0 0 454.324 4.772 20 0 JJADRN COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c(C)cc1Br ZINC001462409838 1068067893 /nfs/dbraw/zinc/06/78/93/1068067893.db2.gz UBJRHMFONWYNIP-UHFFFAOYSA-N 0 0 451.626 4.864 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)nc1C ZINC001462409850 1068068032 /nfs/dbraw/zinc/06/80/32/1068068032.db2.gz GQPVDRUOLDDBGK-FQEVSTJZSA-N 0 0 453.539 4.572 20 0 JJADRN O=C(Nc1cc(Br)cc2c1NC(=O)CO2)c1ccc(-c2ccc(F)cc2)cc1F ZINC001462419014 1068070543 /nfs/dbraw/zinc/07/05/43/1068070543.db2.gz UHQUAIQDBSBUCS-UHFFFAOYSA-N 0 0 459.246 4.978 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@H]2CCCOC2)c1 ZINC001462422112 1068071180 /nfs/dbraw/zinc/07/11/80/1068071180.db2.gz DKOVGQYFAPNPIJ-URXFXBBRSA-N 0 0 458.624 4.617 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@H]2CCCOC2)c1 ZINC001462422126 1068071423 /nfs/dbraw/zinc/07/14/23/1068071423.db2.gz DKOVGQYFAPNPIJ-XUZZJYLKSA-N 0 0 458.624 4.617 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1c(Cl)cccc1Cl ZINC001462429075 1068072696 /nfs/dbraw/zinc/07/26/96/1068072696.db2.gz UWQNZGAZNFAGMT-QFYYESIMSA-N 0 0 456.167 4.929 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCCC[C@H](C2CCOCC2)C1 ZINC001462433000 1068073616 /nfs/dbraw/zinc/07/36/16/1068073616.db2.gz ALNJDBYVVRWRTP-HNNXBMFYSA-N 0 0 456.896 4.608 20 0 JJADRN CNC(=O)NC[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)CCO1 ZINC001462435625 1068073690 /nfs/dbraw/zinc/07/36/90/1068073690.db2.gz ATFZMMQEGHLUHX-MRXNPFEDSA-N 0 0 458.773 4.569 20 0 JJADRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1Cc2ccccc2N(C)C(=O)C1 ZINC001462442534 1068075110 /nfs/dbraw/zinc/07/51/10/1068075110.db2.gz RBYPRUYCHVSOIY-UHFFFAOYSA-N 0 0 453.384 4.737 20 0 JJADRN O=S(=O)(C1CC1)N1CCN(Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)CC1 ZINC001462444729 1068075738 /nfs/dbraw/zinc/07/57/38/1068075738.db2.gz RJLHWPREZNZTLH-UHFFFAOYSA-N 0 0 459.370 4.535 20 0 JJADRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001462447231 1068076509 /nfs/dbraw/zinc/07/65/09/1068076509.db2.gz SCNIZKHKHAKHGO-RZIGYZOXSA-N 0 0 450.623 4.643 20 0 JJADRN CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1=O ZINC001546131693 1068076805 /nfs/dbraw/zinc/07/68/05/1068076805.db2.gz IYRYMAKSQAHQOW-ROUUACIJSA-N 0 0 454.592 4.990 20 0 JJADRN COc1ccc(SCCC(=O)NCCc2cc(Cl)cc(Br)c2)cc1OC ZINC001462454276 1068078174 /nfs/dbraw/zinc/07/81/74/1068078174.db2.gz YZLPJMKIOCSHSL-UHFFFAOYSA-N 0 0 458.805 4.961 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001462454348 1068078204 /nfs/dbraw/zinc/07/82/04/1068078204.db2.gz ZQFJOLOHWKEVBU-UHFFFAOYSA-N 0 0 458.921 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CC[C@H](c3nccs3)C2)CC1 ZINC001462463110 1068079946 /nfs/dbraw/zinc/07/99/46/1068079946.db2.gz NJBCCSCDVMRJDS-FQEVSTJZSA-N 0 0 455.624 4.962 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nc(-c3ccc(C)c(F)c3)no1)CCCC2 ZINC001462464882 1068080626 /nfs/dbraw/zinc/08/06/26/1068080626.db2.gz GGYUNSMLOOFFFF-FQEVSTJZSA-N 0 0 453.514 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NC[C@@]2(C)OCCc3ccccc32)CC1 ZINC001462471233 1068081210 /nfs/dbraw/zinc/08/12/10/1068081210.db2.gz RCCUNBMUDRWARD-ATIYNZHBSA-N 0 0 456.627 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CN[C@@H](CCO)c3cc(Cl)cc(Cl)c3)on2)C1 ZINC001462477003 1068081882 /nfs/dbraw/zinc/08/18/82/1068081882.db2.gz CNOGUBIDYKLQIL-SFHVURJKSA-N 0 0 456.370 4.529 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(Nc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC001462484284 1068083075 /nfs/dbraw/zinc/08/30/75/1068083075.db2.gz KGZDRQDTJFELMS-UHFFFAOYSA-N 0 0 452.576 4.539 20 0 JJADRN CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001462486882 1068083645 /nfs/dbraw/zinc/08/36/45/1068083645.db2.gz OECYBIMGOZCPKQ-FGZHOGPDSA-N 0 0 455.352 4.540 20 0 JJADRN Cn1nc(C(F)(F)F)cc1C(=O)Oc1cc(C(C)(C)C)ccc1I ZINC001462491826 1068084273 /nfs/dbraw/zinc/08/42/73/1068084273.db2.gz RMOHHBYDQYMQPU-UHFFFAOYSA-N 0 0 452.214 4.560 20 0 JJADRN Cc1ccc(CNC(=O)C[C@@H](C)CCc2ccc(I)cc2)c(Cl)n1 ZINC001462494382 1068085020 /nfs/dbraw/zinc/08/50/20/1068085020.db2.gz QXRCLFUNICJCSW-ZDUSSCGKSA-N 0 0 456.755 4.923 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC001462496964 1068085563 /nfs/dbraw/zinc/08/55/63/1068085563.db2.gz PJKBQBWKDDUVFV-JOCHJYFZSA-N 0 0 451.567 4.801 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC001462497920 1068085738 /nfs/dbraw/zinc/08/57/38/1068085738.db2.gz ZVCJPQDLHOXDJQ-UXHICEINSA-N 0 0 450.398 4.701 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001462498477 1068086023 /nfs/dbraw/zinc/08/60/23/1068086023.db2.gz XULKCSTUSXEFEA-HSZRJFAPSA-N 0 0 453.526 4.915 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC001462499387 1068086069 /nfs/dbraw/zinc/08/60/69/1068086069.db2.gz DRVDGGYCRZQTOX-AEFFLSMTSA-N 0 0 457.398 4.790 20 0 JJADRN CCC(=O)N(C)c1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 ZINC001462498870 1068086111 /nfs/dbraw/zinc/08/61/11/1068086111.db2.gz IXWPZBHGUITWIA-UHFFFAOYSA-N 0 0 457.456 4.789 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COc2c(C)cccc2C)cc1 ZINC001462501349 1068086637 /nfs/dbraw/zinc/08/66/37/1068086637.db2.gz OTAUTGDAQNBRBZ-QFIPXVFZSA-N 0 0 454.567 4.511 20 0 JJADRN C[C@@]1(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)Oc2ccccc2NC1=O ZINC001462501607 1068086692 /nfs/dbraw/zinc/08/66/92/1068086692.db2.gz KDJBXDOVGVMTHU-QHCPKHFHSA-N 0 0 458.848 4.817 20 0 JJADRN CO[C@@](C)(C(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)C(=O)OC(C)(C)C ZINC001462503876 1068087111 /nfs/dbraw/zinc/08/71/11/1068087111.db2.gz KMFMCTGDPZDNTP-QHCPKHFHSA-N 0 0 451.922 4.943 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CNc1cccc(CN=S2(=O)CCCC2)c1 ZINC001462511302 1068088440 /nfs/dbraw/zinc/08/84/40/1068088440.db2.gz KVMHOGZCMIYYJT-UHFFFAOYSA-N 0 0 450.402 4.781 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)NCc2ccc3ccc(Br)cc3c2)CC1=O ZINC001462512511 1068089102 /nfs/dbraw/zinc/08/91/02/1068089102.db2.gz XNJDIFJHCKMGOB-FQEVSTJZSA-N 0 0 451.364 4.834 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2CCCc3sccc32)c1 ZINC001462519270 1068090013 /nfs/dbraw/zinc/09/00/13/1068090013.db2.gz YJAVYTBDUBDGNO-SFTDATJTSA-N 0 0 456.608 4.997 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC001462523474 1068091058 /nfs/dbraw/zinc/09/10/58/1068091058.db2.gz ARJWMQHYBYLKJI-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN Cc1ccnc(-c2noc(CC3CCN(C(=O)CSCc4ccc(Cl)cc4)CC3)n2)c1 ZINC001462523958 1068091556 /nfs/dbraw/zinc/09/15/56/1068091556.db2.gz OYBQJNZALOPMIE-UHFFFAOYSA-N 0 0 456.999 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(Cc2ccc(Br)nc2)CC1 ZINC001462526411 1068091795 /nfs/dbraw/zinc/09/17/95/1068091795.db2.gz IEGKVADNHUSCCT-IBGZPJMESA-N 0 0 450.421 4.846 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN(C)C(=O)c2cnn3ncccc23)cc1 ZINC001462527478 1068091958 /nfs/dbraw/zinc/09/19/58/1068091958.db2.gz SHXIBKXJASKYGA-UHFFFAOYSA-N 0 0 451.324 4.865 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462528541 1068092396 /nfs/dbraw/zinc/09/23/96/1068092396.db2.gz HFPFWVLMLGGWGD-OAHLLOKOSA-N 0 0 457.434 4.896 20 0 JJADRN CCc1nc(C(=O)NCc2cc3cc(Br)ccc3o2)nn1-c1ccccc1Cl ZINC001462531007 1068092608 /nfs/dbraw/zinc/09/26/08/1068092608.db2.gz BIHCDCAJWBSIEY-UHFFFAOYSA-N 0 0 459.731 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)(C(F)(F)F)C1 ZINC001462530703 1068092700 /nfs/dbraw/zinc/09/27/00/1068092700.db2.gz LZBVTMUPZDZPAC-KHYOSLBOSA-N 0 0 466.422 4.867 20 0 JJADRN COC[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccc(Br)c1 ZINC001462534133 1068093007 /nfs/dbraw/zinc/09/30/07/1068093007.db2.gz QRYVAVGGUASVCK-MRXNPFEDSA-N 0 0 456.171 4.814 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC001462534535 1068093024 /nfs/dbraw/zinc/09/30/24/1068093024.db2.gz SPWZEGLXBMQBQX-UHFFFAOYSA-N 0 0 457.926 4.726 20 0 JJADRN COC[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccc(Br)c1 ZINC001462534130 1068093109 /nfs/dbraw/zinc/09/31/09/1068093109.db2.gz QRYVAVGGUASVCK-INIZCTEOSA-N 0 0 456.171 4.814 20 0 JJADRN O=C(NC[C@@H]1CCC2(CCOCC2)CO1)C1(c2cccc(Br)c2)CCCCC1 ZINC001462535355 1068093431 /nfs/dbraw/zinc/09/34/31/1068093431.db2.gz PIEFTQNRAZJEIX-FQEVSTJZSA-N 0 0 450.417 4.743 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001546132335 1068094477 /nfs/dbraw/zinc/09/44/77/1068094477.db2.gz FBEPZCWNKRAWHM-OAHLLOKOSA-N 0 0 451.384 4.900 20 0 JJADRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1c(Br)cncc1Br)C3 ZINC001462540196 1068094540 /nfs/dbraw/zinc/09/45/40/1068094540.db2.gz ZPKQGFQFBWSION-UHFFFAOYSA-N 0 0 451.162 4.655 20 0 JJADRN CN=[S@](C)(=O)c1cccc(NCc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 ZINC001462545575 1068095596 /nfs/dbraw/zinc/09/55/96/1068095596.db2.gz ZOUWEUJYVZFQEL-SSEXGKCCSA-N 0 0 450.536 4.805 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001462543849 1068095700 /nfs/dbraw/zinc/09/57/00/1068095700.db2.gz JWMODMSZCFIYKD-UHFFFAOYSA-N 0 0 457.935 4.661 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNc1ccccc1[C@@H]1CCC(=O)N1 ZINC001462549232 1068096234 /nfs/dbraw/zinc/09/62/34/1068096234.db2.gz UJMDAHUHCYXKBJ-IBGZPJMESA-N 0 0 459.333 4.529 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)O[C@H](COC)C2)CCCC1 ZINC001546132390 1068096580 /nfs/dbraw/zinc/09/65/80/1068096580.db2.gz HGSFGFRNNFAHAW-HKUYNNGSSA-N 0 0 463.022 4.818 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)s1 ZINC001462551390 1068096956 /nfs/dbraw/zinc/09/69/56/1068096956.db2.gz BAGOZMBGEPLGLD-UHFFFAOYSA-N 0 0 458.502 4.953 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C(=O)C1CCc2ccccc2CC1)C(C)C ZINC001462552988 1068096996 /nfs/dbraw/zinc/09/69/96/1068096996.db2.gz KHQQTEPDFMPNNK-KRWDZBQOSA-N 0 0 456.608 4.602 20 0 JJADRN CCOC(=O)[C@@H]1CN(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C[C@H]1C(F)(F)F ZINC001462553555 1068097015 /nfs/dbraw/zinc/09/70/15/1068097015.db2.gz DIJUQXUCMWEHDM-IAGOWNOFSA-N 0 0 475.920 4.655 20 0 JJADRN COc1cc(C(=O)NCc2noc3c2CC(C)(C)CC3)cc(OC)c1OCc1ccccc1 ZINC001462559248 1068097869 /nfs/dbraw/zinc/09/78/69/1068097869.db2.gz YTYWCBLHRMQDQJ-UHFFFAOYSA-N 0 0 450.535 4.716 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546132454 1068098964 /nfs/dbraw/zinc/09/89/64/1068098964.db2.gz JMHMHMAXGREJGS-HXUWFJFHSA-N 0 0 487.645 4.889 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)COc1ccc(Br)cc1Cl)CC2 ZINC001462569357 1068099906 /nfs/dbraw/zinc/09/99/06/1068099906.db2.gz HHTHJHHMYMSPAB-GFCCVEGCSA-N 0 0 454.748 4.644 20 0 JJADRN COC(=O)c1c(C)c(C)ccc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001462568540 1068099986 /nfs/dbraw/zinc/09/99/86/1068099986.db2.gz IQAOYADEDKEZHV-UHFFFAOYSA-N 0 0 456.340 4.907 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCN2CCOCC2)CCC1 ZINC001546132499 1068099998 /nfs/dbraw/zinc/09/99/98/1068099998.db2.gz KTDSYAIRWZMUMZ-UHFFFAOYSA-N 0 0 452.430 4.601 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CCCC1 ZINC001546132541 1068100907 /nfs/dbraw/zinc/10/09/07/1068100907.db2.gz MEMUINHJNZZYCP-UHFFFAOYSA-N 0 0 467.536 4.712 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccccc2N=S(C)(C)=O)c2ccccc21 ZINC001462573522 1068100989 /nfs/dbraw/zinc/10/09/89/1068100989.db2.gz WMQYSAOMASHTFL-QGZVFWFLSA-N 0 0 457.596 4.705 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H]2CCOC2)CCC1 ZINC001546132574 1068101914 /nfs/dbraw/zinc/10/19/14/1068101914.db2.gz NJUFUTULPZTFRN-OAHLLOKOSA-N 0 0 451.384 4.900 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC[C@H](C(F)(F)F)O[C@H](C)C3)cc12 ZINC001462577389 1068102227 /nfs/dbraw/zinc/10/22/27/1068102227.db2.gz HCGHEPVDHMTYRF-KZULUSFZSA-N 0 0 455.477 4.776 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC[C@@H](C(F)(F)F)O[C@H](C)C3)cc12 ZINC001462577398 1068102332 /nfs/dbraw/zinc/10/23/32/1068102332.db2.gz HCGHEPVDHMTYRF-XIKOKIGWSA-N 0 0 455.477 4.776 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccc(C(F)(F)F)nc1 ZINC001462578171 1068103213 /nfs/dbraw/zinc/10/32/13/1068103213.db2.gz ITLFQYFUBBUDMX-SNVBAGLBSA-N 0 0 459.291 4.660 20 0 JJADRN Cc1nn(-c2ccccn2)c(Cl)c1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001462579642 1068103831 /nfs/dbraw/zinc/10/38/31/1068103831.db2.gz WUPZTORYCNBBDY-UHFFFAOYSA-N 0 0 451.880 4.686 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001546132616 1068103880 /nfs/dbraw/zinc/10/38/80/1068103880.db2.gz OEUDKWJARUIKNW-SFHVURJKSA-N 0 0 451.384 4.898 20 0 JJADRN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN[C@@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584336 1068104382 /nfs/dbraw/zinc/10/43/82/1068104382.db2.gz JUIQBJZTYSQFKV-KXBFYZLASA-N 0 0 456.965 4.661 20 0 JJADRN CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001462588706 1068105853 /nfs/dbraw/zinc/10/58/53/1068105853.db2.gz NRKGSFFVXKICHO-IBGZPJMESA-N 0 0 452.274 4.912 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)CCOCC1 ZINC001546132647 1068106611 /nfs/dbraw/zinc/10/66/11/1068106611.db2.gz PJDIMPGZGXSOJH-UHFFFAOYSA-N 0 0 492.039 4.828 20 0 JJADRN C[C@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(C(F)(F)F)nc1 ZINC001462592012 1068107667 /nfs/dbraw/zinc/10/76/67/1068107667.db2.gz WGAZMMSYOVOHGL-ZETCQYMHSA-N 0 0 453.056 4.511 20 0 JJADRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC001462602639 1068109561 /nfs/dbraw/zinc/10/95/61/1068109561.db2.gz UTXIYQFAHUPBFX-SFESLNEESA-N 0 0 456.366 4.885 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC001546132725 1068109591 /nfs/dbraw/zinc/10/95/91/1068109591.db2.gz RAPSVOFRTDFILJ-IRXDYDNUSA-N 0 0 493.446 4.537 20 0 JJADRN COC(=O)[C@](C)(NCc1cc(-c2ccncc2)ccc1OC)c1cccc(Br)c1 ZINC001462605964 1068110230 /nfs/dbraw/zinc/11/02/30/1068110230.db2.gz ULRRFQSDKBEIQX-HSZRJFAPSA-N 0 0 455.352 4.698 20 0 JJADRN CCOCOc1ccc(CN[C@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)cc1 ZINC001462605476 1068110246 /nfs/dbraw/zinc/11/02/46/1068110246.db2.gz RUCDIDVRZRNCOU-IBGZPJMESA-N 0 0 456.764 4.869 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)Cc2ccccc21 ZINC001462604365 1068110260 /nfs/dbraw/zinc/11/02/60/1068110260.db2.gz HIYDFAPFDBGRFE-KRWDZBQOSA-N 0 0 454.979 4.925 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCc2cc(C)c(Br)cc2C1 ZINC001462612570 1068112327 /nfs/dbraw/zinc/11/23/27/1068112327.db2.gz KHUDIAFGRZLXPG-UHFFFAOYSA-N 0 0 454.368 4.678 20 0 JJADRN O=C(Nc1cnc2ccccc2c1Br)c1cnc2ncc(Br)cc2c1 ZINC001462616002 1068113047 /nfs/dbraw/zinc/11/30/47/1068113047.db2.gz WCDYLQJIGXTLFD-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN COc1nsc(CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1Cl ZINC001462620958 1068113714 /nfs/dbraw/zinc/11/37/14/1068113714.db2.gz XLLBFWHGLKOUBI-UHFFFAOYSA-N 0 0 452.020 4.864 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccccc1Cl ZINC001462617425 1068113765 /nfs/dbraw/zinc/11/37/65/1068113765.db2.gz KETAYMJUIHNOHB-OAQYLSRUSA-N 0 0 456.901 4.877 20 0 JJADRN CC(C)COc1cc(N[C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1Br ZINC001462621259 1068114184 /nfs/dbraw/zinc/11/41/84/1068114184.db2.gz DBEPHWIRHGCBSE-DNVCBOLYSA-N 0 0 457.409 4.920 20 0 JJADRN COC(=O)c1ccc(CN2CC(Cc3ccc(Br)cc3)C2)c(Br)c1 ZINC001462623098 1068115015 /nfs/dbraw/zinc/11/50/15/1068115015.db2.gz PXDSIQXKLVSKDF-UHFFFAOYSA-N 0 0 453.174 4.673 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)C(F)(F)c3ncccc3Br)s2)c1 ZINC001462624493 1068115817 /nfs/dbraw/zinc/11/58/17/1068115817.db2.gz BCHRTLPYKLRFFE-UHFFFAOYSA-N 0 0 454.296 4.631 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001462626829 1068116170 /nfs/dbraw/zinc/11/61/70/1068116170.db2.gz JUCCEGRGGSHNEM-UHFFFAOYSA-N 0 0 456.509 4.599 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)CC2=O)cc1 ZINC001462626538 1068116235 /nfs/dbraw/zinc/11/62/35/1068116235.db2.gz AEISOFKBYNSGLL-QGZVFWFLSA-N 0 0 450.888 4.995 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)Cc3csc(COc4ccccc4)n3)s2)c1 ZINC001462628246 1068117016 /nfs/dbraw/zinc/11/70/16/1068117016.db2.gz PLULYKAYIFGIKZ-UHFFFAOYSA-N 0 0 451.573 4.959 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001462631807 1068118355 /nfs/dbraw/zinc/11/83/55/1068118355.db2.gz DXTGUGQVPQXFRV-UHFFFAOYSA-N 0 0 457.137 4.821 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCC3(c4ccc(Br)cc4)CC3)CCC2=O)cc1C ZINC001462631506 1068118379 /nfs/dbraw/zinc/11/83/79/1068118379.db2.gz ADEVKCNYKXHVSW-SFHVURJKSA-N 0 0 455.396 4.657 20 0 JJADRN Cc1nc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c2ccccn12 ZINC001462633490 1068118826 /nfs/dbraw/zinc/11/88/26/1068118826.db2.gz GMEGWEJAIXRMHQ-PZJWPPBQSA-N 0 0 454.615 4.969 20 0 JJADRN Cc1ncc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c(C2CC2)n1 ZINC001462635802 1068120206 /nfs/dbraw/zinc/12/02/06/1068120206.db2.gz QWORLPKAVNECSE-AVRDEDQJSA-N 0 0 456.631 4.988 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001462636528 1068120226 /nfs/dbraw/zinc/12/02/26/1068120226.db2.gz VJVNISYXIFOVGD-XMSQKQJNSA-N 0 0 458.599 4.799 20 0 JJADRN CCOC(=O)C(F)(F)[C@H]1CCC[C@@H](Nc2ccc(OCCOC)c(Br)c2)C1 ZINC001462637047 1068120824 /nfs/dbraw/zinc/12/08/24/1068120824.db2.gz ZOAPWXAQNYYEEA-UONOGXRCSA-N 0 0 450.320 4.643 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)C1(c2ccc(Br)cc2)CC1 ZINC001462640238 1068121570 /nfs/dbraw/zinc/12/15/70/1068121570.db2.gz ZWXOTJOYMSUUQK-UHFFFAOYSA-N 0 0 450.380 4.699 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462643430 1068122214 /nfs/dbraw/zinc/12/22/14/1068122214.db2.gz HYTZPUNHPYVPSP-REWPJTCUSA-N 0 0 452.457 4.569 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001462642670 1068122387 /nfs/dbraw/zinc/12/23/87/1068122387.db2.gz DOTQIWSSUGPVGZ-LSDHHAIUSA-N 0 0 470.722 4.801 20 0 JJADRN Cc1ccc(N(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462647030 1068123064 /nfs/dbraw/zinc/12/30/64/1068123064.db2.gz ALKHGPFMMFYSSC-ZJBJCVSYSA-N 0 0 461.389 4.861 20 0 JJADRN Cc1ccc(N(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462650570 1068123776 /nfs/dbraw/zinc/12/37/76/1068123776.db2.gz PZECQWXVXLBGMO-MBSDFSHPSA-N 0 0 466.969 4.698 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462651799 1068124451 /nfs/dbraw/zinc/12/44/51/1068124451.db2.gz UNOWCOLVXCTCLG-JTSKRJEESA-N 0 0 465.015 4.502 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462653125 1068125329 /nfs/dbraw/zinc/12/53/29/1068125329.db2.gz GOSCZFJFCRXRMH-UKRRQHHQSA-N 0 0 450.288 4.776 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)nnc1-c1ccccc1 ZINC001462655424 1068125686 /nfs/dbraw/zinc/12/56/86/1068125686.db2.gz LQVMBKOVWJLJIY-USXIJHARSA-N 0 0 456.534 4.624 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001462670912 1068127782 /nfs/dbraw/zinc/12/77/82/1068127782.db2.gz QPWBMZJSTFCDIO-PBGAUENZSA-N 0 0 453.316 4.678 20 0 JJADRN COc1ccc(/C=C(\C(=O)NCC2(n3cc(Br)cn3)CC2)c2cccs2)cc1 ZINC001462670117 1068127845 /nfs/dbraw/zinc/12/78/45/1068127845.db2.gz QYDVPRULGHYWAN-WQRHYEAKSA-N 0 0 458.381 4.562 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2nc3c(s2)CCCC3)cc1 ZINC001462667241 1068127868 /nfs/dbraw/zinc/12/78/68/1068127868.db2.gz MJBCGCFSRBBTRF-UHFFFAOYSA-N 0 0 451.617 4.991 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001462670906 1068127891 /nfs/dbraw/zinc/12/78/91/1068127891.db2.gz QPWBMZJSTFCDIO-IONDEXAJSA-N 0 0 453.316 4.678 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCCc2cnc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001462666113 1068127956 /nfs/dbraw/zinc/12/79/56/1068127956.db2.gz XZFWOPNNKDWSBD-OFNKIYASSA-N 0 0 455.480 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cccn3-c3c(Cl)cccc3Cl)[C@@H]2C1 ZINC001462675479 1068128602 /nfs/dbraw/zinc/12/86/02/1068128602.db2.gz KLCVLZOOVHDGSV-QKDCVEJESA-N 0 0 450.366 4.627 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462677937 1068129206 /nfs/dbraw/zinc/12/92/06/1068129206.db2.gz PDKCKJYFQSSGFZ-XBATYDOSSA-N 0 0 458.382 4.546 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(C(F)(F)F)c1 ZINC001462678233 1068129255 /nfs/dbraw/zinc/12/92/55/1068129255.db2.gz YJGFMCMMYLJXJO-INIZCTEOSA-N 0 0 456.214 4.858 20 0 JJADRN COc1ccc([C@H](C)NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1C ZINC001462682649 1068130542 /nfs/dbraw/zinc/13/05/42/1068130542.db2.gz SMRMCJRVCBFUIH-AWEZNQCLSA-N 0 0 459.468 4.885 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001462686367 1068131382 /nfs/dbraw/zinc/13/13/82/1068131382.db2.gz GHXACMBPHHFGRL-RISCZKNCSA-N 0 0 451.308 4.608 20 0 JJADRN COc1ccc(F)c(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)c1 ZINC001462689514 1068132072 /nfs/dbraw/zinc/13/20/72/1068132072.db2.gz RTZOPVRTUMJGGG-UHFFFAOYSA-N 0 0 456.558 4.999 20 0 JJADRN CCOC(=O)c1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)cc1 ZINC001462688311 1068132111 /nfs/dbraw/zinc/13/21/11/1068132111.db2.gz SWVMWYOBYSIBRN-UHFFFAOYSA-N 0 0 454.125 4.700 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)c1 ZINC001462686401 1068132159 /nfs/dbraw/zinc/13/21/59/1068132159.db2.gz JQYPHBJEJXQEIK-UHFFFAOYSA-N 0 0 454.368 4.761 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)ccc1Br ZINC001462693056 1068133388 /nfs/dbraw/zinc/13/33/88/1068133388.db2.gz FVYHQQCHWZIILO-UHFFFAOYSA-N 0 0 459.317 4.650 20 0 JJADRN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Br)sc1Br ZINC001462692509 1068133456 /nfs/dbraw/zinc/13/34/56/1068133456.db2.gz ZKJXZTJRIDGUCF-SVRRBLITSA-N 0 0 451.102 4.503 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1ccco1)Cc1ccccc1 ZINC001462695540 1068134089 /nfs/dbraw/zinc/13/40/89/1068134089.db2.gz KFADJEDTKDTOIN-UHFFFAOYSA-N 0 0 454.317 4.581 20 0 JJADRN C/C=C\c1ccc(OS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)c(OC)c1 ZINC001462696324 1068134121 /nfs/dbraw/zinc/13/41/21/1068134121.db2.gz XSSUWLQMUBMVQO-ARJAWSKDSA-N 0 0 457.733 4.560 20 0 JJADRN O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001462695269 1068134135 /nfs/dbraw/zinc/13/41/35/1068134135.db2.gz SCTYMWZHMXRGEP-UHFFFAOYSA-N 0 0 452.919 4.586 20 0 JJADRN COC(=O)CCOc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC001462695430 1068134151 /nfs/dbraw/zinc/13/41/51/1068134151.db2.gz VHSLIKHYXQUWLU-UHFFFAOYSA-N 0 0 454.544 4.722 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC001462696483 1068134682 /nfs/dbraw/zinc/13/46/82/1068134682.db2.gz ZDEUJTKCEQNPIL-UHFFFAOYSA-N 0 0 452.292 4.735 20 0 JJADRN C/C=C/c1ccc(OS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)c(OC)c1 ZINC001462696329 1068134768 /nfs/dbraw/zinc/13/47/68/1068134768.db2.gz XSSUWLQMUBMVQO-ONEGZZNKSA-N 0 0 457.733 4.560 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N2C[C@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)Oc2ccccc21 ZINC001462706861 1068137746 /nfs/dbraw/zinc/13/77/46/1068137746.db2.gz GQHHGUADKGWLME-CWTRNNRKSA-N 0 0 452.860 4.698 20 0 JJADRN COC(=O)c1ccc(OS(=O)(=O)c2c(Cl)cc(C)cc2Br)c(Cl)c1 ZINC001462711473 1068139354 /nfs/dbraw/zinc/13/93/54/1068139354.db2.gz XYTCHXFDWMBBAE-UHFFFAOYSA-N 0 0 454.125 4.619 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1oc2ccc(Br)cc2c1C ZINC001462711298 1068139510 /nfs/dbraw/zinc/13/95/10/1068139510.db2.gz CVJQEKNNALGSMX-KRWDZBQOSA-N 0 0 456.292 4.764 20 0 JJADRN O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc(F)c(F)cc1I ZINC001462715628 1068140587 /nfs/dbraw/zinc/14/05/87/1068140587.db2.gz NWHMFNZUGUDBJI-UHFFFAOYSA-N 0 0 456.057 4.849 20 0 JJADRN COCC[C@@H](C)S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718048 1068141322 /nfs/dbraw/zinc/14/13/22/1068141322.db2.gz JPGDMAACXYWXKM-AUUYWEPGSA-N 0 0 455.407 4.951 20 0 JJADRN CO[C@]12CCC[C@@]1(NC(=O)c1cc(Cl)nc(Oc3ccc(Br)cc3)c1)CCO2 ZINC001462717992 1068141357 /nfs/dbraw/zinc/14/13/57/1068141357.db2.gz LQISVGJZYZEXOI-UXHICEINSA-N 0 0 467.747 4.705 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC001462717770 1068141380 /nfs/dbraw/zinc/14/13/80/1068141380.db2.gz FZGDCTPNLGTFFJ-SFHVURJKSA-N 0 0 456.470 4.657 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2Cl)c(OC)cc1F ZINC001462720254 1068141824 /nfs/dbraw/zinc/14/18/24/1068141824.db2.gz KZGMLXVWAUEBGB-UHFFFAOYSA-N 0 0 450.871 4.709 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001462722051 1068142474 /nfs/dbraw/zinc/14/24/74/1068142474.db2.gz GJLILOGJIZWMHA-GDBMZVCRSA-N 0 0 478.387 4.727 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c3c2CCCC3)cc1 ZINC001462723648 1068142706 /nfs/dbraw/zinc/14/27/06/1068142706.db2.gz OJFCLNTZIQPNEJ-WOJBJXKFSA-N 0 0 466.626 4.682 20 0 JJADRN O=S(=O)(Oc1ccc(I)cc1)c1ccc2oc3ccccc3c2c1 ZINC001462726299 1068144014 /nfs/dbraw/zinc/14/40/14/1068144014.db2.gz PBNBIFSZXLWNJD-UHFFFAOYSA-N 0 0 450.253 4.958 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N(C)CCOc2ccc(Br)cc2)cc1C ZINC001462726351 1068144704 /nfs/dbraw/zinc/14/47/04/1068144704.db2.gz PYVMPONHZVCKPU-UHFFFAOYSA-N 0 0 456.402 4.589 20 0 JJADRN COc1ccc([C@H](CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)N2CCCC2)cc1 ZINC001462730621 1068146304 /nfs/dbraw/zinc/14/63/04/1068146304.db2.gz HVHOQOSRQJHEAU-IBGZPJMESA-N 0 0 451.013 4.679 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2cccc(Br)n2)s1 ZINC001462737417 1068148937 /nfs/dbraw/zinc/14/89/37/1068148937.db2.gz HZSGCRPOSDJHRL-UHFFFAOYSA-N 0 0 451.411 4.648 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546133946 1068149456 /nfs/dbraw/zinc/14/94/56/1068149456.db2.gz GIFQEXPGXQYJFD-LJQANCHMSA-N 0 0 483.657 4.531 20 0 JJADRN CCCCc1oc2ccccc2c1CN(C)S(=O)(=O)c1cnn(-c2ccccc2OC)c1 ZINC001462737610 1068149516 /nfs/dbraw/zinc/14/95/16/1068149516.db2.gz FFDQYKCJEWZPNN-UHFFFAOYSA-N 0 0 453.564 4.790 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N(Cc1ccccc1F)C1CC1 ZINC001462740077 1068150173 /nfs/dbraw/zinc/15/01/73/1068150173.db2.gz WCUNVAFOQAWIFJ-IBGZPJMESA-N 0 0 453.963 4.780 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC001462739944 1068150189 /nfs/dbraw/zinc/15/01/89/1068150189.db2.gz MHEDNFZMOAKYDL-QMHKHESXSA-N 0 0 462.594 4.999 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001462739910 1068150196 /nfs/dbraw/zinc/15/01/96/1068150196.db2.gz MCUVKHLGJISBQC-NPMXOYFQSA-N 0 0 454.979 4.697 20 0 JJADRN COc1ccc(C[C@@H](NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c2ccc(OC)cc2)cc1 ZINC001462740360 1068150472 /nfs/dbraw/zinc/15/04/72/1068150472.db2.gz BMBUGHGORSWZRP-PGRDOPGGSA-N 0 0 453.551 4.733 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC001462743691 1068152485 /nfs/dbraw/zinc/15/24/85/1068152485.db2.gz JQQRKXQDACUWAD-HSZRJFAPSA-N 0 0 458.624 4.873 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CCC1 ZINC001546134011 1068153120 /nfs/dbraw/zinc/15/31/20/1068153120.db2.gz IPJORHMLYFGEQT-BEFAXECRSA-N 0 0 468.520 4.699 20 0 JJADRN COC(=O)c1cc(Br)ccc1OS(=O)(=O)c1sc2cccc(F)c2c1C ZINC001462747500 1068153886 /nfs/dbraw/zinc/15/38/86/1068153886.db2.gz NXFHUGJEJCVVHB-UHFFFAOYSA-N 0 0 459.314 4.666 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)c1 ZINC001462749716 1068154340 /nfs/dbraw/zinc/15/43/40/1068154340.db2.gz AJTJCMBRQUOTPD-QHCPKHFHSA-N 0 0 455.551 4.963 20 0 JJADRN CC(=O)N1Cc2ccc(S(=O)(=O)N[C@H](c3cccs3)c3ccc(C(C)C)cc3)cc2C1 ZINC001462750559 1068155237 /nfs/dbraw/zinc/15/52/37/1068155237.db2.gz IJHPNGCWLZQQHE-DEOSSOPVSA-N 0 0 454.617 4.802 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C(C)C)cc1OCC ZINC001462752957 1068155812 /nfs/dbraw/zinc/15/58/12/1068155812.db2.gz LAUCAIBQQLEMDK-FQEVSTJZSA-N 0 0 451.976 4.689 20 0 JJADRN CCN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462755791 1068156857 /nfs/dbraw/zinc/15/68/57/1068156857.db2.gz JGGTYAGRVFHTPT-LJQANCHMSA-N 0 0 456.587 4.797 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2c3ccccc3OC[C@H]2F)oc1-c1ccc(Br)cc1 ZINC001462756476 1068157050 /nfs/dbraw/zinc/15/70/50/1068157050.db2.gz KXHJJRVZVGKHGO-DYESRHJHSA-N 0 0 459.315 4.933 20 0 JJADRN CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462757165 1068157758 /nfs/dbraw/zinc/15/77/58/1068157758.db2.gz LNCXJHFTYGRTTR-OAQYLSRUSA-N 0 0 451.567 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)Cc2ccccc2OC2CCCC2)C1 ZINC001462759806 1068158233 /nfs/dbraw/zinc/15/82/33/1068158233.db2.gz ATZLDEZLWHHFQB-GOSISDBHSA-N 0 0 452.542 4.559 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCc2ccc3ncccc3c2)[C@@H]1c1ccc(OC)cc1 ZINC001462761326 1068158766 /nfs/dbraw/zinc/15/87/66/1068158766.db2.gz DPJJKSIAWPDIMM-IGKIAQTJSA-N 0 0 459.590 4.682 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC001462761560 1068158962 /nfs/dbraw/zinc/15/89/62/1068158962.db2.gz FKGJDWAAWXMZGH-INIZCTEOSA-N 0 0 450.969 4.571 20 0 JJADRN O=S(=O)(NCCCCc1ccccc1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462763929 1068159447 /nfs/dbraw/zinc/15/94/47/1068159447.db2.gz JKPIHWQHNQTYAW-UHFFFAOYSA-N 0 0 451.411 4.874 20 0 JJADRN O=c1ccc2ccc(OS(=O)(=O)c3ccc(Br)c(Cl)c3Cl)cc2o1 ZINC001462768365 1068160780 /nfs/dbraw/zinc/16/07/80/1068160780.db2.gz VYJVFMJLTDZQBW-UHFFFAOYSA-N 0 0 450.093 4.630 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1NC(=O)CC(C)C ZINC001462768668 1068161231 /nfs/dbraw/zinc/16/12/31/1068161231.db2.gz FRPOWBXLACBPBV-IFMALSPDSA-N 0 0 461.528 4.772 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)nnc1-c1ccccc1 ZINC001462769518 1068161897 /nfs/dbraw/zinc/16/18/97/1068161897.db2.gz PEIFVVCRSAITSX-KUHUBIRLSA-N 0 0 456.509 4.901 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462770000 1068161954 /nfs/dbraw/zinc/16/19/54/1068161954.db2.gz NFKNNVDOXCRDQN-HZPDHXFCSA-N 0 0 481.515 4.799 20 0 JJADRN COc1ccc(-c2nc(CN3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)cs2)cc1 ZINC001462770742 1068162495 /nfs/dbraw/zinc/16/24/95/1068162495.db2.gz CPTGKDMNAYTYBX-UHFFFAOYSA-N 0 0 457.983 4.927 20 0 JJADRN Cc1csc(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)c1 ZINC001462771884 1068162998 /nfs/dbraw/zinc/16/29/98/1068162998.db2.gz OJWKDOOYIDSYMR-UHFFFAOYSA-N 0 0 452.351 4.839 20 0 JJADRN C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462774687 1068164360 /nfs/dbraw/zinc/16/43/60/1068164360.db2.gz QUUVVFPLEANXLD-ZIAGYGMSSA-N 0 0 461.347 4.550 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462777244 1068164871 /nfs/dbraw/zinc/16/48/71/1068164871.db2.gz XVEOQVQLJVHTSU-HZPDHXFCSA-N 0 0 466.504 4.514 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1cccc2ccccc21 ZINC001462788721 1068167556 /nfs/dbraw/zinc/16/75/56/1068167556.db2.gz XZLBAGRXPNCRIY-JOCHJYFZSA-N 0 0 451.320 4.657 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F ZINC001462791012 1068168497 /nfs/dbraw/zinc/16/84/97/1068168497.db2.gz MACLNLJNQVRYAT-LJQANCHMSA-N 0 0 459.880 4.808 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)c2cnc3ccsc3c2)ccc1OCc1ccccc1 ZINC001462792509 1068169134 /nfs/dbraw/zinc/16/91/34/1068169134.db2.gz GHSHDXAENWNRBN-UHFFFAOYSA-N 0 0 454.573 4.705 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2cccc(Cl)c2nc1C)c1ccccc1OC(F)(F)F ZINC001462794530 1068169540 /nfs/dbraw/zinc/16/95/40/1068169540.db2.gz VULXRILKSCNAFW-GOSISDBHSA-N 0 0 452.816 4.739 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1OC(F)(F)F ZINC001462794690 1068169636 /nfs/dbraw/zinc/16/96/36/1068169636.db2.gz WFFHPFYISHBJRQ-AWEZNQCLSA-N 0 0 455.738 4.902 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1Br)c1cccc2ccccc21 ZINC001462796186 1068170126 /nfs/dbraw/zinc/17/01/26/1068170126.db2.gz YJZOGFLSNGBPSB-QFIPXVFZSA-N 0 0 456.336 4.574 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC001462795488 1068170130 /nfs/dbraw/zinc/17/01/30/1068170130.db2.gz ULOVRIKQXHYUGO-LAZGGGQISA-N 0 0 451.441 4.806 20 0 JJADRN CO[C@@H](C(=O)NCc1cc(Br)ccc1Cl)c1ccc(Br)s1 ZINC001462797777 1068170588 /nfs/dbraw/zinc/17/05/88/1068170588.db2.gz XZFURSOXWHMTJA-CYBMUJFWSA-N 0 0 453.583 4.930 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462798754 1068170704 /nfs/dbraw/zinc/17/07/04/1068170704.db2.gz YPXLYAMCPWYGMG-WMZOPIPTSA-N 0 0 451.894 4.862 20 0 JJADRN CCOc1cc(CN(C)S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1OC(F)F ZINC001462799574 1068171123 /nfs/dbraw/zinc/17/11/23/1068171123.db2.gz QWVUCOJHXFMKJM-UHFFFAOYSA-N 0 0 458.285 4.953 20 0 JJADRN CCCCSCC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001462802845 1068171732 /nfs/dbraw/zinc/17/17/32/1068171732.db2.gz CQEURRLIJCBHEX-UHFFFAOYSA-N 0 0 451.386 4.599 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CCCC1 ZINC001546134178 1068171788 /nfs/dbraw/zinc/17/17/88/1068171788.db2.gz ODUYPNYGSZVUIH-OAQYLSRUSA-N 0 0 497.684 4.921 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CC2 ZINC001462807084 1068172155 /nfs/dbraw/zinc/17/21/55/1068172155.db2.gz NPVXOTKFINJRMD-FICVDOATSA-N 0 0 457.436 4.811 20 0 JJADRN CCOC(=O)N[C@H](CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)CC(C)C ZINC001462805755 1068172196 /nfs/dbraw/zinc/17/21/96/1068172196.db2.gz MDROYUASRSLKFR-KRWDZBQOSA-N 0 0 454.976 4.571 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@H]1CC2(CCC2)CO1)c1cccc(Cl)c1Cl ZINC001462810853 1068173300 /nfs/dbraw/zinc/17/33/00/1068173300.db2.gz AUWCPWKSXUFGGY-KDOFPFPSSA-N 0 0 457.398 4.977 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cc1 ZINC001462813172 1068173949 /nfs/dbraw/zinc/17/39/49/1068173949.db2.gz JDRHENUVSKIUFY-UHFFFAOYSA-N 0 0 455.967 4.902 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)c1ccccc1OC(F)F ZINC001462813041 1068174023 /nfs/dbraw/zinc/17/40/23/1068174023.db2.gz DRDLVDHSVBVPHQ-GOSISDBHSA-N 0 0 459.474 4.921 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(N)=O ZINC001462815188 1068175004 /nfs/dbraw/zinc/17/50/04/1068175004.db2.gz XDMBNGLPOFKTKT-GFCCVEGCSA-N 0 0 451.976 4.751 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001462817530 1068175631 /nfs/dbraw/zinc/17/56/31/1068175631.db2.gz PKBJXBDWEHPXMY-LJQANCHMSA-N 0 0 457.379 4.574 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc12 ZINC001462821549 1068176808 /nfs/dbraw/zinc/17/68/08/1068176808.db2.gz MMQRFRZGQIRPDV-KRWDZBQOSA-N 0 0 454.596 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCCc2cc(F)ccc2F)CC[C@H]1C(F)(F)F ZINC001462821451 1068176834 /nfs/dbraw/zinc/17/68/34/1068176834.db2.gz DWDDKTRDTOIFCF-NVXWUHKLSA-N 0 0 450.448 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)CCCc2cc(F)ccc2F)CC[C@H]1C(F)(F)F ZINC001462821454 1068176848 /nfs/dbraw/zinc/17/68/48/1068176848.db2.gz DWDDKTRDTOIFCF-WBVHZDCISA-N 0 0 450.448 4.592 20 0 JJADRN O=S(=O)(NCc1ccnc(OC2CCCC2)c1)c1cc(Cl)ccc1OCC1CCC1 ZINC001462823120 1068177350 /nfs/dbraw/zinc/17/73/50/1068177350.db2.gz HFSMUMBRXGXDSF-UHFFFAOYSA-N 0 0 450.988 4.714 20 0 JJADRN CC(C)(NS(=O)(=O)c1cc(F)ccc1Br)c1ccc(Br)cc1 ZINC001462823428 1068177423 /nfs/dbraw/zinc/17/74/23/1068177423.db2.gz AWVFARFXEMFTAG-UHFFFAOYSA-N 0 0 451.155 4.564 20 0 JJADRN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2ccc(Br)c(F)c2C1 ZINC001462823515 1068177470 /nfs/dbraw/zinc/17/74/70/1068177470.db2.gz LAHQRIZHWXTXJH-UHFFFAOYSA-N 0 0 451.723 4.567 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cnc(Cl)c(Br)c1 ZINC001462825179 1068178076 /nfs/dbraw/zinc/17/80/76/1068178076.db2.gz RBIDHRFBVDVTHR-KRWDZBQOSA-N 0 0 455.736 4.705 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cnc(Cl)c(Br)c1 ZINC001462825181 1068178090 /nfs/dbraw/zinc/17/80/90/1068178090.db2.gz RBIDHRFBVDVTHR-QGZVFWFLSA-N 0 0 455.736 4.705 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001462824760 1068178111 /nfs/dbraw/zinc/17/81/11/1068178111.db2.gz QEPJSIYKBBUMLY-UONOGXRCSA-N 0 0 462.731 4.669 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1Br ZINC001462825576 1068178389 /nfs/dbraw/zinc/17/83/89/1068178389.db2.gz HOJZBMCRDJGVKG-SECBINFHSA-N 0 0 456.255 4.655 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1 ZINC001462825627 1068178430 /nfs/dbraw/zinc/17/84/30/1068178430.db2.gz OGXSEGHDTCTENQ-UHFFFAOYSA-N 0 0 450.000 4.831 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CCC1 ZINC001546134354 1068179091 /nfs/dbraw/zinc/17/90/91/1068179091.db2.gz UDFIBNDBNQYMDW-QGZVFWFLSA-N 0 0 451.537 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)CC[C@H]1C(F)(F)F ZINC001462826341 1068179132 /nfs/dbraw/zinc/17/91/32/1068179132.db2.gz PSQLIZMSRYZOHV-CXAGYDPISA-N 0 0 457.880 4.806 20 0 JJADRN O=S(=O)(NCCc1ccc(N2CCCCC2)cc1)c1cccnc1Oc1ccc(F)cc1 ZINC001462826952 1068179174 /nfs/dbraw/zinc/17/91/74/1068179174.db2.gz VWQDKKOOAVQFIK-UHFFFAOYSA-N 0 0 455.555 4.524 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001462829266 1068180785 /nfs/dbraw/zinc/18/07/85/1068180785.db2.gz HBGYASXPXJPXSF-XMMPIXPASA-N 0 0 455.396 4.742 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1Br ZINC001462830711 1068182056 /nfs/dbraw/zinc/18/20/56/1068182056.db2.gz IUCUZUSVAHKSDT-LJQANCHMSA-N 0 0 453.402 4.863 20 0 JJADRN CC(=O)N(CCC(=O)N1CCC[C@]1(C)Cc1cccc(Br)c1)Cc1ccccc1 ZINC001462832488 1068182636 /nfs/dbraw/zinc/18/26/36/1068182636.db2.gz WNHMEKVDCWLTKV-XMMPIXPASA-N 0 0 457.412 4.812 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccc3COCc3ccccc3)cc(Cl)c2O1 ZINC001462834786 1068183877 /nfs/dbraw/zinc/18/38/77/1068183877.db2.gz UHCMJUKECDBSDY-QGZVFWFLSA-N 0 0 457.979 4.859 20 0 JJADRN O=S(=O)(NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1ccco1 ZINC001462836061 1068184529 /nfs/dbraw/zinc/18/45/29/1068184529.db2.gz HRSMILOLOCOKRP-QGZVFWFLSA-N 0 0 457.404 4.726 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C(=C\c3ccc(OC(F)F)cc3)c3ccccc3)O2)[C@H]1C ZINC001462839703 1068185817 /nfs/dbraw/zinc/18/58/17/1068185817.db2.gz JNTBNTXCZHLBAB-NFYABQHUSA-N 0 0 457.517 4.917 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001462841792 1068186810 /nfs/dbraw/zinc/18/68/10/1068186810.db2.gz CRAPSCAOLHVIHC-OXQOHEQNSA-N 0 0 480.540 4.776 20 0 JJADRN COc1ccc(-c2ccc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)c(F)c1 ZINC001462842683 1068186898 /nfs/dbraw/zinc/18/68/98/1068186898.db2.gz IZVFXMIDMJXTBX-NVXWUHKLSA-N 0 0 460.521 4.873 20 0 JJADRN COC(=O)C[C@H](C)CC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F ZINC001462845525 1068188011 /nfs/dbraw/zinc/18/80/11/1068188011.db2.gz NYCFQRAXJACCFO-CQSZACIVSA-N 0 0 452.320 4.928 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nn(C(C)C)cc3Cl)C2)c2ccccc12 ZINC001462845999 1068188039 /nfs/dbraw/zinc/18/80/39/1068188039.db2.gz RCDCPQGRMMOTAQ-MRXNPFEDSA-N 0 0 454.958 4.770 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001462844915 1068188050 /nfs/dbraw/zinc/18/80/50/1068188050.db2.gz OLEZIMLWNXTQAZ-NRFANRHFSA-N 0 0 459.493 4.974 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC001462846885 1068188727 /nfs/dbraw/zinc/18/87/27/1068188727.db2.gz FBAYXRAHVZDBOH-JOCHJYFZSA-N 0 0 450.000 4.619 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)C1 ZINC001462847499 1068189247 /nfs/dbraw/zinc/18/92/47/1068189247.db2.gz WGAUCATXSGGBOL-LSDHHAIUSA-N 0 0 464.331 4.928 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)nc1Cl)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001462849719 1068190109 /nfs/dbraw/zinc/19/01/09/1068190109.db2.gz ZEPQAPXIECWJAL-UHFFFAOYSA-N 0 0 459.852 4.852 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1OC1CCCC1 ZINC001462851857 1068190551 /nfs/dbraw/zinc/19/05/51/1068190551.db2.gz UCZWAITUSZNWOO-CYBMUJFWSA-N 0 0 450.944 4.851 20 0 JJADRN COC(=O)C1(c2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)cc2)CC1 ZINC001462851514 1068190555 /nfs/dbraw/zinc/19/05/55/1068190555.db2.gz GPOQEAYSXVRSFX-QFIPXVFZSA-N 0 0 455.963 4.613 20 0 JJADRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC001462853470 1068191133 /nfs/dbraw/zinc/19/11/33/1068191133.db2.gz YQLJKSBSLUHRPV-ZDUSSCGKSA-N 0 0 458.349 4.537 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1C ZINC001462853439 1068191643 /nfs/dbraw/zinc/19/16/43/1068191643.db2.gz VVSMFMGPDBEJNT-UHFFFAOYSA-N 0 0 453.516 4.623 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1SC ZINC001462854906 1068191668 /nfs/dbraw/zinc/19/16/68/1068191668.db2.gz KEAMBXIXSFTNEU-UHFFFAOYSA-N 0 0 459.159 4.972 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3cccnc3OCC(F)F)ccc21 ZINC001462854189 1068191745 /nfs/dbraw/zinc/19/17/45/1068191745.db2.gz LYMPHMMBLOBGNJ-UHFFFAOYSA-N 0 0 459.518 4.674 20 0 JJADRN CCn1cc(Cl)c(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC001462856507 1068192968 /nfs/dbraw/zinc/19/29/68/1068192968.db2.gz YKUPXRAHEVDPLK-CVEARBPZSA-N 0 0 453.370 4.799 20 0 JJADRN CC1(CS(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)CCCCC1 ZINC001462856677 1068193023 /nfs/dbraw/zinc/19/30/23/1068193023.db2.gz IUVJXKQEFPUPBQ-UHFFFAOYSA-N 0 0 450.551 4.706 20 0 JJADRN CCCCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(Br)c2C)cc1OC ZINC001462857830 1068193466 /nfs/dbraw/zinc/19/34/66/1068193466.db2.gz MIIRSXZYANBCJY-HNNXBMFYSA-N 0 0 456.402 4.985 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1cc(F)cc(F)c1 ZINC001462866594 1068196120 /nfs/dbraw/zinc/19/61/20/1068196120.db2.gz CJASRMNDNYLWCL-LJQANCHMSA-N 0 0 456.283 4.934 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1Cl ZINC001462866439 1068196311 /nfs/dbraw/zinc/19/63/11/1068196311.db2.gz AOSJPBFXANVKNQ-OAHLLOKOSA-N 0 0 454.976 4.605 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N=[S@@](C)(=O)c2ccccc2Br)o1 ZINC001462869032 1068197394 /nfs/dbraw/zinc/19/73/94/1068197394.db2.gz GEZJWGDCEBJVLF-GMTSLGDESA-N 0 0 454.342 4.694 20 0 JJADRN C[S@](=O)(=NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1ccccc1Br ZINC001462870691 1068197910 /nfs/dbraw/zinc/19/79/10/1068197910.db2.gz JJPYSNIOOTZKBE-MUUNZHRXSA-N 0 0 459.365 4.649 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N=[S@](C)(=O)c2ccccc2Br)CCCC1 ZINC001462871658 1068197914 /nfs/dbraw/zinc/19/79/14/1068197914.db2.gz MRCMXAFDENASHM-HHHXNRCGSA-N 0 0 459.406 4.518 20 0 JJADRN O=S(=O)(CCc1cccs1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462874317 1068199088 /nfs/dbraw/zinc/19/90/88/1068199088.db2.gz RIHGSSPNFHTONW-IBGZPJMESA-N 0 0 454.386 4.901 20 0 JJADRN O=S(=O)(CCc1cccs1)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462874319 1068199128 /nfs/dbraw/zinc/19/91/28/1068199128.db2.gz RIHGSSPNFHTONW-LJQANCHMSA-N 0 0 454.386 4.901 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1Br ZINC001462874767 1068199132 /nfs/dbraw/zinc/19/91/32/1068199132.db2.gz UTCPPZSWDHEDIA-AREMUKBSSA-N 0 0 455.761 4.526 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 ZINC001462875570 1068199595 /nfs/dbraw/zinc/19/95/95/1068199595.db2.gz NIQAALCAHKSWRY-WJOKGBTCSA-N 0 0 453.545 4.821 20 0 JJADRN O=S(=O)(c1ccc(I)s1)N1CCC[C@H]1c1ccccc1Cl ZINC001462876534 1068200164 /nfs/dbraw/zinc/20/01/64/1068200164.db2.gz WUWDIPZNPFPMFR-LBPRGKRZSA-N 0 0 453.754 4.532 20 0 JJADRN COc1cc(/C=C/C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001462879103 1068200591 /nfs/dbraw/zinc/20/05/91/1068200591.db2.gz SPOJJEAIRHGNRQ-OXCISUODSA-N 0 0 458.511 4.715 20 0 JJADRN COc1cc(/C=C/C(=O)N=[S@](C)(=O)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001462879108 1068200611 /nfs/dbraw/zinc/20/06/11/1068200611.db2.gz SPOJJEAIRHGNRQ-OZBDQGCQSA-N 0 0 458.511 4.715 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c(C)c1 ZINC001462877997 1068200617 /nfs/dbraw/zinc/20/06/17/1068200617.db2.gz ZGJAUIJJNXMMFW-IBGZPJMESA-N 0 0 455.576 4.939 20 0 JJADRN COc1cc(/C=C\C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001462879117 1068200659 /nfs/dbraw/zinc/20/06/59/1068200659.db2.gz SPOJJEAIRHGNRQ-SXNHMRIJSA-N 0 0 458.511 4.715 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n(C)n1)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC001462879855 1068201218 /nfs/dbraw/zinc/20/12/18/1068201218.db2.gz LNOPPMYRMMSBIU-UHFFFAOYSA-N 0 0 451.567 4.774 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c(Cl)cc1F ZINC001462879692 1068201239 /nfs/dbraw/zinc/20/12/39/1068201239.db2.gz ZOXBBLKLJYDEEB-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nccc(C)c1C(=O)c1ccccc1F ZINC001462881160 1068201675 /nfs/dbraw/zinc/20/16/75/1068201675.db2.gz QBIBTHQECMOZIZ-UHFFFAOYSA-N 0 0 458.493 4.987 20 0 JJADRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001462886121 1068203243 /nfs/dbraw/zinc/20/32/43/1068203243.db2.gz IOONZBBHIJRNQC-UHFFFAOYSA-N 0 0 459.589 4.595 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc(Cl)c2O1 ZINC001462888606 1068203949 /nfs/dbraw/zinc/20/39/49/1068203949.db2.gz UQGDZYZMOZSJNL-CYBMUJFWSA-N 0 0 454.375 4.600 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](C)c3oc4ccccc4c3C)cc2c1C ZINC001462889779 1068204410 /nfs/dbraw/zinc/20/44/10/1068204410.db2.gz BIHPYVGXSBGCCV-AWEZNQCLSA-N 0 0 458.561 4.876 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC001462891791 1068204921 /nfs/dbraw/zinc/20/49/21/1068204921.db2.gz LXQZPEUPHCHLJW-SJKOYZFVSA-N 0 0 453.404 4.875 20 0 JJADRN O=C(OCc1ccccc1I)c1c(F)ccc(Br)c1F ZINC001462893610 1068205496 /nfs/dbraw/zinc/20/54/96/1068205496.db2.gz GBNUYVUNMAHOBG-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F)CO2 ZINC001462893994 1068206095 /nfs/dbraw/zinc/20/60/95/1068206095.db2.gz IBOBVRRFQCHELR-GFCCVEGCSA-N 0 0 452.429 4.649 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2cscc2Br)c2ccc(F)cc2)cc1 ZINC001462897619 1068207593 /nfs/dbraw/zinc/20/75/93/1068207593.db2.gz CUPPQUWRYNEBQS-GOSISDBHSA-N 0 0 456.358 4.726 20 0 JJADRN CC(C)c1ccc(CNS(=O)(=O)c2scc(Br)c2Br)cc1 ZINC001462901244 1068209245 /nfs/dbraw/zinc/20/92/45/1068209245.db2.gz HSMBORIGSDRIQB-UHFFFAOYSA-N 0 0 453.221 4.875 20 0 JJADRN Cc1cc(F)ccc1[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001462902641 1068209327 /nfs/dbraw/zinc/20/93/27/1068209327.db2.gz XLGCNJAQYBJWEQ-SFHVURJKSA-N 0 0 459.583 4.718 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC001462903243 1068209792 /nfs/dbraw/zinc/20/97/92/1068209792.db2.gz XHXCHVQFPXOPPU-AWEZNQCLSA-N 0 0 453.992 4.938 20 0 JJADRN CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1cscc1Br ZINC001462903407 1068209833 /nfs/dbraw/zinc/20/98/33/1068209833.db2.gz QBOQSBUVSHIZDX-UHFFFAOYSA-N 0 0 453.221 4.872 20 0 JJADRN O=S(=O)(NCc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1Br ZINC001462904390 1068210410 /nfs/dbraw/zinc/21/04/10/1068210410.db2.gz WGTXNIBDDGCCBC-UHFFFAOYSA-N 0 0 458.683 4.522 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC001462905119 1068210551 /nfs/dbraw/zinc/21/05/51/1068210551.db2.gz DIYZAFUHTJKNEL-UHFFFAOYSA-N 0 0 457.567 4.793 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCCn2ncc(NC(=O)OC(C)(C)C)c21 ZINC001462913511 1068212568 /nfs/dbraw/zinc/21/25/68/1068212568.db2.gz OWAOLRXFNWBQBV-GFCCVEGCSA-N 0 0 455.342 4.741 20 0 JJADRN CCc1ccc(-c2nc(C(=O)N3CCCn4ncc(NC(=O)OC(C)(C)C)c43)cs2)cc1 ZINC001462912616 1068212721 /nfs/dbraw/zinc/21/27/21/1068212721.db2.gz MENOJHWBNJWUME-UHFFFAOYSA-N 0 0 453.568 4.967 20 0 JJADRN COc1ccc(-c2cc(C(=O)OCc3cc(F)c(C(F)(F)F)c(F)c3)nn2C)cc1OC ZINC001462915499 1068213146 /nfs/dbraw/zinc/21/31/46/1068213146.db2.gz WIDOIHCFYPOTFG-UHFFFAOYSA-N 0 0 456.367 4.758 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)ccc3C3=NCCO3)nc2)cc1 ZINC001462917725 1068213616 /nfs/dbraw/zinc/21/36/16/1068213616.db2.gz AHDPNUKUFMOILX-UHFFFAOYSA-N 0 0 452.308 4.974 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)cc1)c1cccs1 ZINC001462919675 1068214430 /nfs/dbraw/zinc/21/44/30/1068214430.db2.gz KXYKRRMCFTTZRE-UHFFFAOYSA-N 0 0 453.951 4.932 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C)s2)c1 ZINC001462921312 1068214919 /nfs/dbraw/zinc/21/49/19/1068214919.db2.gz LVKYUPFRHBEVSX-UHFFFAOYSA-N 0 0 456.383 4.812 20 0 JJADRN Cc1ccc(-c2ccc(CN(C(C)C)S(=O)(=O)c3ccc4c(c3)OCC(=O)N4)s2)cc1 ZINC001462922990 1068216087 /nfs/dbraw/zinc/21/60/87/1068216087.db2.gz CUXBSJVSTOKQOP-UHFFFAOYSA-N 0 0 456.589 4.654 20 0 JJADRN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC001462926435 1068216522 /nfs/dbraw/zinc/21/65/22/1068216522.db2.gz FUHDTYWVBXLISO-NSHDSACASA-N 0 0 453.185 4.810 20 0 JJADRN Cc1nc2ccc(C(=O)Nc3ccc(C(F)(F)F)c(I)c3)cc2n1C ZINC001462925755 1068216668 /nfs/dbraw/zinc/21/66/68/1068216668.db2.gz QVKIEITVODZKOW-UHFFFAOYSA-N 0 0 459.209 4.757 20 0 JJADRN Cc1cccc(CN(CC(C)C)S(=O)(=O)c2ccc(C)c(I)c2)c1 ZINC001462926955 1068217135 /nfs/dbraw/zinc/21/71/35/1068217135.db2.gz NXMUVSSIRRGFRM-UHFFFAOYSA-N 0 0 457.377 4.755 20 0 JJADRN CC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)c(F)c1 ZINC001462927474 1068217665 /nfs/dbraw/zinc/21/76/65/1068217665.db2.gz WPQWVBJOSYSYLS-UHFFFAOYSA-N 0 0 451.157 4.904 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001462931551 1068219246 /nfs/dbraw/zinc/21/92/46/1068219246.db2.gz SYAOAVMXUCLXKO-CYBMUJFWSA-N 0 0 452.342 4.776 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001462933860 1068220183 /nfs/dbraw/zinc/22/01/83/1068220183.db2.gz XPWHNNPLYYAVDA-MQNAVGNWSA-N 0 0 467.585 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001462933791 1068220235 /nfs/dbraw/zinc/22/02/35/1068220235.db2.gz XAEAZGMXOWISOQ-CQSZACIVSA-N 0 0 450.913 4.891 20 0 JJADRN CCCN(Cc1ccccc1Br)S(=O)(=O)c1cscc1Br ZINC001462933740 1068220274 /nfs/dbraw/zinc/22/02/74/1068220274.db2.gz SCXSUVAGFOYQPH-UHFFFAOYSA-N 0 0 453.221 4.874 20 0 JJADRN CCCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001462936510 1068221442 /nfs/dbraw/zinc/22/14/42/1068221442.db2.gz QVLSCMJRZCKVFY-OAHLLOKOSA-N 0 0 459.942 4.634 20 0 JJADRN CC1(C)CN(C(=O)CCCNC(=O)c2ccc(F)cc2F)c2cc(C(F)(F)F)ccc2O1 ZINC001462937666 1068222211 /nfs/dbraw/zinc/22/22/11/1068222211.db2.gz QHIKHYJHXKZUOL-UHFFFAOYSA-N 0 0 456.411 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC001462940756 1068222689 /nfs/dbraw/zinc/22/26/89/1068222689.db2.gz CXEVFPYWZOSHPD-BBVSWNNQSA-N 0 0 455.020 4.895 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc21 ZINC001462939447 1068222833 /nfs/dbraw/zinc/22/28/33/1068222833.db2.gz OVKWMOSTPCLJBG-UHFFFAOYSA-N 0 0 451.466 4.856 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(C)c3ncccc23)cc1 ZINC001462944785 1068223302 /nfs/dbraw/zinc/22/33/02/1068223302.db2.gz GLFGYDUGJIMZRH-HSZRJFAPSA-N 0 0 450.535 4.953 20 0 JJADRN COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)ccc2cccnc21 ZINC001462944906 1068224006 /nfs/dbraw/zinc/22/40/06/1068224006.db2.gz HOGLEASTJJFDQH-INIZCTEOSA-N 0 0 452.498 4.960 20 0 JJADRN CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC001462945429 1068224070 /nfs/dbraw/zinc/22/40/70/1068224070.db2.gz XVJGPOAUUVOMAE-UHFFFAOYSA-N 0 0 452.592 4.815 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2Cl)cc1Br ZINC001462946677 1068224560 /nfs/dbraw/zinc/22/45/60/1068224560.db2.gz RMQLYFRNVUMJCL-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc4c3[C@@H](C)CC4(C)C)CC2)c1 ZINC001462947242 1068225128 /nfs/dbraw/zinc/22/51/28/1068225128.db2.gz OBBFBSUJHUNGSW-KRWDZBQOSA-N 0 0 450.579 4.980 20 0 JJADRN CCOc1ccncc1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462948090 1068225744 /nfs/dbraw/zinc/22/57/44/1068225744.db2.gz KNJBRXAOPBSNNB-UHFFFAOYSA-N 0 0 452.363 4.573 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Cl)c1 ZINC001462951263 1068226405 /nfs/dbraw/zinc/22/64/05/1068226405.db2.gz MFSOYIDGFBKEEN-GOSISDBHSA-N 0 0 450.894 4.860 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)CCc1cc(C(F)(F)F)ccc1Br)[C@@H]2C ZINC001462952229 1068226779 /nfs/dbraw/zinc/22/67/79/1068226779.db2.gz MLPBDASLXSSVLF-GFCCVEGCSA-N 0 0 459.310 4.719 20 0 JJADRN O=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1)c1c(Cl)cc(F)cc1Cl ZINC001462953064 1068227444 /nfs/dbraw/zinc/22/74/44/1068227444.db2.gz HYIBCHTVGAQHGU-UHFFFAOYSA-N 0 0 450.322 4.950 20 0 JJADRN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c21 ZINC001462953750 1068227487 /nfs/dbraw/zinc/22/74/87/1068227487.db2.gz XYWGQPLOIATBJV-BBRMVZONSA-N 0 0 453.029 4.978 20 0 JJADRN CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001462954332 1068228181 /nfs/dbraw/zinc/22/81/81/1068228181.db2.gz ODSGFUVYUQSMRU-KRWDZBQOSA-N 0 0 456.530 4.707 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1Br ZINC001462954727 1068228894 /nfs/dbraw/zinc/22/88/94/1068228894.db2.gz KXLQYVQFDRGLBA-UHFFFAOYSA-N 0 0 456.365 4.575 20 0 JJADRN CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001462954978 1068228926 /nfs/dbraw/zinc/22/89/26/1068228926.db2.gz XJXJUPHLMPKCOD-HWELCPFYSA-N 0 0 450.645 4.512 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 ZINC001462959749 1068230176 /nfs/dbraw/zinc/23/01/76/1068230176.db2.gz BEZCXKJGKLZAIY-BLVKFPJESA-N 0 0 458.274 4.776 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CC(Cl)(Cl)C4=O)C2)cc1 ZINC001462960203 1068230303 /nfs/dbraw/zinc/23/03/03/1068230303.db2.gz BBUZXMFHRPVMTN-KRWDZBQOSA-N 0 0 452.403 4.551 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc2nc(C)ccc2o1)c1ccc(Br)c(Cl)c1 ZINC001462963600 1068230702 /nfs/dbraw/zinc/23/07/02/1068230702.db2.gz LVADCLYTNOWTOC-KRWDZBQOSA-N 0 0 451.704 4.586 20 0 JJADRN C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1 ZINC001462963031 1068230716 /nfs/dbraw/zinc/23/07/16/1068230716.db2.gz CZOUWVVEKYJSLA-GOSISDBHSA-N 0 0 455.601 4.643 20 0 JJADRN O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001462963158 1068230867 /nfs/dbraw/zinc/23/08/67/1068230867.db2.gz LGXGNECJRFUGEV-KRWDZBQOSA-N 0 0 452.910 4.536 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 ZINC001462964979 1068231530 /nfs/dbraw/zinc/23/15/30/1068231530.db2.gz WSANGPDSIYJQKT-DEOSSOPVSA-N 0 0 452.348 4.786 20 0 JJADRN COC(=O)[C@](C)(NC(=O)/C=C\c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462965105 1068231558 /nfs/dbraw/zinc/23/15/58/1068231558.db2.gz OYKLSTVXEVAJPE-OEIFXAAASA-N 0 0 456.258 4.686 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1S(=O)(=O)CCc1cccc(Cl)c1 ZINC001462967993 1068232296 /nfs/dbraw/zinc/23/22/96/1068232296.db2.gz PEJKWWHVAYDUMA-GOSISDBHSA-N 0 0 458.805 4.821 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1sc2ncccc2c1Cl)c1cccc(Br)c1 ZINC001462968510 1068232639 /nfs/dbraw/zinc/23/26/39/1068232639.db2.gz ZZBOPMRRMZJPKU-SFHVURJKSA-N 0 0 453.745 4.530 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001462969069 1068232770 /nfs/dbraw/zinc/23/27/70/1068232770.db2.gz SQIHOCHDQQOJLM-KPFFTGBYSA-N 0 0 454.361 4.620 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1sc2ncccc2c1Cl)c1cccc(Br)c1 ZINC001462968508 1068232800 /nfs/dbraw/zinc/23/28/00/1068232800.db2.gz ZZBOPMRRMZJPKU-GOSISDBHSA-N 0 0 453.745 4.530 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC001462969255 1068232812 /nfs/dbraw/zinc/23/28/12/1068232812.db2.gz IEEAZMYYFMPRAI-LJQANCHMSA-N 0 0 455.649 4.830 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001462974135 1068234548 /nfs/dbraw/zinc/23/45/48/1068234548.db2.gz WNAXIMZGJLUKOM-XJKSGUPXSA-N 0 0 456.873 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)/C=C/c2ccsc2)c2ccccc21 ZINC001462975889 1068234964 /nfs/dbraw/zinc/23/49/64/1068234964.db2.gz IUWHGCAYCFECLM-GUKSKWGUSA-N 0 0 454.592 4.918 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@H]1c1ccccc1OC ZINC001462976365 1068234976 /nfs/dbraw/zinc/23/49/76/1068234976.db2.gz NKCASIKHWJDEOH-HFZDXXHNSA-N 0 0 458.562 4.871 20 0 JJADRN Cc1noc2nc(C)cc(C(=O)N3C[C@@H](CCNC(=O)OC(C)(C)C)Cc4ccccc43)c12 ZINC001462978652 1068236853 /nfs/dbraw/zinc/23/68/53/1068236853.db2.gz QNKTUYRCTWZPGQ-KRWDZBQOSA-N 0 0 450.539 4.574 20 0 JJADRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC001462979112 1068236943 /nfs/dbraw/zinc/23/69/43/1068236943.db2.gz QDGOJJXEMVPSRC-FQEVSTJZSA-N 0 0 458.580 4.797 20 0 JJADRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001462982206 1068238696 /nfs/dbraw/zinc/23/86/96/1068238696.db2.gz XYLPINLCIOQXDA-UHFFFAOYSA-N 0 0 455.511 4.520 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)c1F ZINC001462984090 1068239239 /nfs/dbraw/zinc/23/92/39/1068239239.db2.gz NXDJTDWCBLSXRO-NRFANRHFSA-N 0 0 453.963 4.894 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC001462985440 1068239925 /nfs/dbraw/zinc/23/99/25/1068239925.db2.gz WTPFWOVQMCKHRE-QGZVFWFLSA-N 0 0 455.532 4.704 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1F ZINC001462984769 1068239957 /nfs/dbraw/zinc/23/99/57/1068239957.db2.gz CPTXYUUDDJQJLQ-FQEVSTJZSA-N 0 0 456.564 4.696 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001462985937 1068240370 /nfs/dbraw/zinc/24/03/70/1068240370.db2.gz RXNSMJLZCVJXGD-ZDUSSCGKSA-N 0 0 452.359 4.843 20 0 JJADRN CCn1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC001462986416 1068240511 /nfs/dbraw/zinc/24/05/11/1068240511.db2.gz SGRGOQSRPUYDCU-IBGZPJMESA-N 0 0 453.486 4.622 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1OC ZINC001462988221 1068241080 /nfs/dbraw/zinc/24/10/80/1068241080.db2.gz APGIARLCKQRLRL-SFHVURJKSA-N 0 0 455.979 4.813 20 0 JJADRN O=C(CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl)N[C@]12C[C@H]1CCC2 ZINC001462988714 1068241597 /nfs/dbraw/zinc/24/15/97/1068241597.db2.gz LWVWSGZRTFJQJW-VGOFRKELSA-N 0 0 467.418 4.633 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001462991099 1068242215 /nfs/dbraw/zinc/24/22/15/1068242215.db2.gz KZOWAKKODZOVIM-INIZCTEOSA-N 0 0 453.010 4.565 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC001462996536 1068243102 /nfs/dbraw/zinc/24/31/02/1068243102.db2.gz DUDUYCTWKDQXKC-MRXNPFEDSA-N 0 0 451.995 4.904 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c2ncccc12 ZINC001463000097 1068244511 /nfs/dbraw/zinc/24/45/11/1068244511.db2.gz IDVZXMHPRDVJSK-UHFFFAOYSA-N 0 0 454.470 4.528 20 0 JJADRN CCc1cccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001462998996 1068244601 /nfs/dbraw/zinc/24/46/01/1068244601.db2.gz FHKJKVINVVWZFG-RUZDIDTESA-N 0 0 455.023 4.998 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cc(Cl)cc4c3OCC4)cs2)cc1OC ZINC001463001462 1068244997 /nfs/dbraw/zinc/24/49/97/1068244997.db2.gz LOCZHKJWSMKZBK-CYBMUJFWSA-N 0 0 458.967 4.836 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC001463000592 1068245066 /nfs/dbraw/zinc/24/50/66/1068245066.db2.gz FKYCIXHVESOJGW-HNNXBMFYSA-N 0 0 456.408 4.861 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC001463000593 1068245084 /nfs/dbraw/zinc/24/50/84/1068245084.db2.gz FKYCIXHVESOJGW-OAHLLOKOSA-N 0 0 456.408 4.861 20 0 JJADRN CC(F)(F)CCCS(=O)(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001463001209 1068245189 /nfs/dbraw/zinc/24/51/89/1068245189.db2.gz NQAPTYZCXUFHMF-OAQYLSRUSA-N 0 0 456.986 4.812 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463003269 1068245777 /nfs/dbraw/zinc/24/57/77/1068245777.db2.gz DNGXNZZVHQQZLB-GBESFXJTSA-N 0 0 453.954 4.861 20 0 JJADRN COc1ccc(C(=O)C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1Cl ZINC001463005427 1068246836 /nfs/dbraw/zinc/24/68/36/1068246836.db2.gz AHPCEADTKRYIQK-UHFFFAOYSA-N 0 0 451.531 4.917 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC001463004841 1068246883 /nfs/dbraw/zinc/24/68/83/1068246883.db2.gz FBURVYOXXWERPX-UHFFFAOYSA-N 0 0 450.004 4.566 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)c2cc(C)nc3cc(Br)ccc32)c1 ZINC001463004613 1068246925 /nfs/dbraw/zinc/24/69/25/1068246925.db2.gz JOEBGOCJQCXROZ-UHFFFAOYSA-N 0 0 450.292 4.893 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463005578 1068246946 /nfs/dbraw/zinc/24/69/46/1068246946.db2.gz YSLIEFPTGJWQSY-AAEUAGOBSA-N 0 0 453.753 4.812 20 0 JJADRN O=S(=O)(C[C@H]1COc2ccccc2O1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463006011 1068247354 /nfs/dbraw/zinc/24/73/54/1068247354.db2.gz NXOXSDVSZUYGIB-RTWAWAEBSA-N 0 0 450.000 4.591 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(C)(C)c1ccccc1F ZINC001463005726 1068247393 /nfs/dbraw/zinc/24/73/93/1068247393.db2.gz KZERTMHBRCSAFJ-UHFFFAOYSA-N 0 0 450.757 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc2C1 ZINC001463007224 1068248024 /nfs/dbraw/zinc/24/80/24/1068248024.db2.gz SVSYPLUQCBRRGF-UHFFFAOYSA-N 0 0 457.379 4.939 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@H](COCCOC)C2)CCC1 ZINC001546135814 1068249236 /nfs/dbraw/zinc/24/92/36/1068249236.db2.gz GZMQQTDZTBKCRY-GOSISDBHSA-N 0 0 477.447 4.777 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1C(F)(F)F ZINC001463010096 1068249717 /nfs/dbraw/zinc/24/97/17/1068249717.db2.gz WHQOZXYLDLYDNB-RHSMWYFYSA-N 0 0 458.521 4.981 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCc1c(Cl)cc(Br)cc1Cl)c1ccc(C)cc1 ZINC001463011726 1068250322 /nfs/dbraw/zinc/25/03/22/1068250322.db2.gz NHSLXAZJTLZINH-GOSISDBHSA-N 0 0 458.183 4.948 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)Oc2c(Cl)c(Cl)ccc2C(C)=O)c(C)c1Cl ZINC001463012812 1068250896 /nfs/dbraw/zinc/25/08/96/1068250896.db2.gz XNZBCLCPDVMYBG-UHFFFAOYSA-N 0 0 457.740 4.774 20 0 JJADRN COc1ccc(C[C@H](NS(=O)(=O)c2cc(C)cc(C)c2OC)c2ccccc2)cc1OC ZINC001463012239 1068251050 /nfs/dbraw/zinc/25/10/50/1068251050.db2.gz AFQALQFWCQLJGZ-NRFANRHFSA-N 0 0 455.576 4.592 20 0 JJADRN COc1ccc2cc(C(=O)NCc3ccc(Br)c(Br)c3)cnc2c1 ZINC001463015407 1068252066 /nfs/dbraw/zinc/25/20/66/1068252066.db2.gz BTKLKCMQIRZGQX-UHFFFAOYSA-N 0 0 450.130 4.698 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001463015181 1068252078 /nfs/dbraw/zinc/25/20/78/1068252078.db2.gz AHAPLKBVGXXYML-AWEZNQCLSA-N 0 0 458.536 4.760 20 0 JJADRN CCC(CC)(CNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC001463015619 1068252594 /nfs/dbraw/zinc/25/25/94/1068252594.db2.gz BBWOBVGJJRUORN-HXUWFJFHSA-N 0 0 452.444 4.555 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463017537 1068253244 /nfs/dbraw/zinc/25/32/44/1068253244.db2.gz GOEXAHHPWQTYDE-LUAWRHEFSA-N 0 0 454.151 4.936 20 0 JJADRN Cc1csc(-c2cccc(OS(=O)(=O)c3cc(Br)cc4c3OCC4)c2)n1 ZINC001463018169 1068254003 /nfs/dbraw/zinc/25/40/03/1068254003.db2.gz OANOBWXYMWJNPA-UHFFFAOYSA-N 0 0 452.351 4.584 20 0 JJADRN CCOc1ccc(SCC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1 ZINC001463020661 1068254689 /nfs/dbraw/zinc/25/46/89/1068254689.db2.gz KLWLUEYPIALJEZ-UHFFFAOYSA-N 0 0 454.514 4.667 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1Cl)Oc1ccccc1OCC(F)(F)F ZINC001463024111 1068255865 /nfs/dbraw/zinc/25/58/65/1068255865.db2.gz RKOOSXVTNNILFA-UHFFFAOYSA-N 0 0 459.667 4.952 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1csc(N2CCCCC2)n1 ZINC001463023804 1068255887 /nfs/dbraw/zinc/25/58/87/1068255887.db2.gz RHEDWBAMIVOPGF-UHFFFAOYSA-N 0 0 459.207 4.588 20 0 JJADRN C[C@H](CC(=O)N1CCNC(=O)c2cc(Br)ccc21)c1cccc(C(F)(F)F)c1 ZINC001463026867 1068256358 /nfs/dbraw/zinc/25/63/58/1068256358.db2.gz ZGFGWBHUUGEICT-GFCCVEGCSA-N 0 0 455.274 4.738 20 0 JJADRN C[C@@H](NC(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC001463027614 1068256810 /nfs/dbraw/zinc/25/68/10/1068256810.db2.gz YYQLMSNIQKYVIH-LLVKDONJSA-N 0 0 459.293 4.530 20 0 JJADRN CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001463027197 1068256950 /nfs/dbraw/zinc/25/69/50/1068256950.db2.gz ZMASVNQLLWPDJJ-UHFFFAOYSA-N 0 0 459.877 4.712 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc2c(c1)CCC(=O)N2 ZINC001463028408 1068256998 /nfs/dbraw/zinc/25/69/98/1068256998.db2.gz XOVDLYMEVQAALY-ZDUSSCGKSA-N 0 0 459.365 4.527 20 0 JJADRN CC(C)COc1ccc(S(=O)(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cc1 ZINC001463033701 1068258256 /nfs/dbraw/zinc/25/82/56/1068258256.db2.gz SYCRNVRXFHBALD-OAHLLOKOSA-N 0 0 458.443 4.943 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)c2cc(C(C)C)ccc2Cl)cc1C ZINC001463037508 1068259339 /nfs/dbraw/zinc/25/93/39/1068259339.db2.gz DQEIHXJZVKXCHF-IBGZPJMESA-N 0 0 453.029 4.783 20 0 JJADRN CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(C)c(OC)cc1C(C)C ZINC001463037280 1068259460 /nfs/dbraw/zinc/25/94/60/1068259460.db2.gz CDZBRRZNOSBURG-GOSISDBHSA-N 0 0 454.633 4.537 20 0 JJADRN COc1ccccc1C(C)(C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463039792 1068260195 /nfs/dbraw/zinc/26/01/95/1068260195.db2.gz GFWVYFJSLNSSBI-UHFFFAOYSA-N 0 0 453.185 4.978 20 0 JJADRN CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC001463042760 1068261610 /nfs/dbraw/zinc/26/16/10/1068261610.db2.gz UFTIZFVYUUEYJR-QGZVFWFLSA-N 0 0 458.580 4.996 20 0 JJADRN CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC001463042758 1068261847 /nfs/dbraw/zinc/26/18/47/1068261847.db2.gz UFTIZFVYUUEYJR-KRWDZBQOSA-N 0 0 458.580 4.996 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2ccccn2)c1 ZINC001463044821 1068262468 /nfs/dbraw/zinc/26/24/68/1068262468.db2.gz UQCNCEXCNOLTPT-QFIPXVFZSA-N 0 0 458.967 4.712 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@H]2CCSC(C)(C)C2)cc1OC ZINC001463045730 1068263053 /nfs/dbraw/zinc/26/30/53/1068263053.db2.gz DPSTXQUDYVVXND-SFHVURJKSA-N 0 0 451.592 4.961 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)c1 ZINC001463045877 1068263875 /nfs/dbraw/zinc/26/38/75/1068263875.db2.gz BQZPOLKXIQTEOO-LJAQVGFWSA-N 0 0 453.841 4.925 20 0 JJADRN O=S(=O)(NCc1ccccc1Oc1cccc(F)c1)c1c(F)cccc1Br ZINC001463047228 1068264236 /nfs/dbraw/zinc/26/42/36/1068264236.db2.gz JROWZTAEABUYHV-UHFFFAOYSA-N 0 0 454.292 4.998 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 ZINC001463047000 1068264541 /nfs/dbraw/zinc/26/45/41/1068264541.db2.gz YFPBRDPSKNBURU-UHFFFAOYSA-N 0 0 453.589 4.800 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)nc1 ZINC001463049772 1068265592 /nfs/dbraw/zinc/26/55/92/1068265592.db2.gz VBAHGOIEGMLTQD-UHFFFAOYSA-N 0 0 450.510 4.728 20 0 JJADRN Cc1ccc(Oc2ccccc2CNS(=O)(=O)Cc2ncsc2Br)cc1 ZINC001463052179 1068266128 /nfs/dbraw/zinc/26/61/28/1068266128.db2.gz BXYQWJJTNYWJSD-UHFFFAOYSA-N 0 0 453.383 4.626 20 0 JJADRN CCc1c(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)nnn1Cc1ccccc1 ZINC001463050523 1068266351 /nfs/dbraw/zinc/26/63/51/1068266351.db2.gz YVYXSCJLCVLHRM-UHFFFAOYSA-N 0 0 458.537 4.579 20 0 JJADRN Cc1c(C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001463051605 1068266366 /nfs/dbraw/zinc/26/63/66/1068266366.db2.gz RVVXSQAVMIQNBO-PMERELPUSA-N 0 0 456.877 4.604 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2CCc3c(C)cccc3C2)c(Br)c1 ZINC001463053308 1068266774 /nfs/dbraw/zinc/26/67/74/1068266774.db2.gz CQQLEZXTCJWYDK-UHFFFAOYSA-N 0 0 459.203 4.575 20 0 JJADRN Cc1c(Br)cncc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001463054896 1068268030 /nfs/dbraw/zinc/26/80/30/1068268030.db2.gz HYAATUXSGMGVQW-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)Oc2ccc(-c3csc(C)n3)cc2)c1 ZINC001463057559 1068269278 /nfs/dbraw/zinc/26/92/78/1068269278.db2.gz XTSBWULNXDVSHM-UHFFFAOYSA-N 0 0 457.451 4.692 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1F)N1CCCC1 ZINC001463057698 1068269295 /nfs/dbraw/zinc/26/92/95/1068269295.db2.gz YWPWSTMVZAAXTA-OAQYLSRUSA-N 0 0 450.963 4.535 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001463058886 1068269308 /nfs/dbraw/zinc/26/93/08/1068269308.db2.gz PUSWXLRJNVDJAD-LIRRHRJNSA-N 0 0 450.174 4.687 20 0 JJADRN CN(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463061768 1068270969 /nfs/dbraw/zinc/27/09/69/1068270969.db2.gz DAERVDBPTYXNHZ-UHFFFAOYSA-N 0 0 454.558 4.608 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)cs2)cc1 ZINC001463061625 1068271074 /nfs/dbraw/zinc/27/10/74/1068271074.db2.gz FLMNFNCYARAVAR-FQEVSTJZSA-N 0 0 452.576 4.892 20 0 JJADRN COC(=O)c1ccc(C)c(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1 ZINC001463061837 1068271190 /nfs/dbraw/zinc/27/11/90/1068271190.db2.gz WXHNXRRHXDKRQI-UHFFFAOYSA-N 0 0 455.498 4.934 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1 ZINC001463062712 1068271523 /nfs/dbraw/zinc/27/15/23/1068271523.db2.gz MVUYTQDCSAXMKK-DEOSSOPVSA-N 0 0 458.558 4.930 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccc3c(c2)OC(F)(F)O3)CCC1 ZINC001463062291 1068271822 /nfs/dbraw/zinc/27/18/22/1068271822.db2.gz DZRFDVYEVBDKQJ-GOSISDBHSA-N 0 0 452.498 4.698 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)Nc2ccnc(N3CCCCC3)c2)(c2ccccc2)C1 ZINC001463063754 1068272345 /nfs/dbraw/zinc/27/23/45/1068272345.db2.gz SLWZCCCAMLUWCO-WVPZODRTSA-N 0 0 450.583 4.636 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001463063989 1068272760 /nfs/dbraw/zinc/27/27/60/1068272760.db2.gz LTDSADKRWYMBHO-ZEQRLZLVSA-N 0 0 454.636 4.636 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001463066773 1068274630 /nfs/dbraw/zinc/27/46/30/1068274630.db2.gz PFGTWGRQEDJYKQ-TZIWHRDSSA-N 0 0 459.384 4.607 20 0 JJADRN COc1cccc(CNS(=O)(=O)c2cccc(Br)c2C)c1OC1CCCC1 ZINC001463069846 1068275958 /nfs/dbraw/zinc/27/59/58/1068275958.db2.gz FDSSRINVZIKZKK-UHFFFAOYSA-N 0 0 454.386 4.566 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001463073355 1068277838 /nfs/dbraw/zinc/27/78/38/1068277838.db2.gz BUVZOABDLVFDDR-UHFFFAOYSA-N 0 0 456.395 4.833 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546136298 1068278511 /nfs/dbraw/zinc/27/85/11/1068278511.db2.gz ZCCHICNMNXJIBK-HXUWFJFHSA-N 0 0 451.615 4.654 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCSc2ccc(Br)cc2)C(C)(C)C1 ZINC001463075129 1068278644 /nfs/dbraw/zinc/27/86/44/1068278644.db2.gz VCVLWLIMKNRMCM-MRXNPFEDSA-N 0 0 457.434 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)F)c1)C1CCCCC1 ZINC001463076765 1068278950 /nfs/dbraw/zinc/27/89/50/1068278950.db2.gz KXTQYEVJPNNBAV-QGZVFWFLSA-N 0 0 450.523 4.515 20 0 JJADRN CN([C@@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001463079073 1068279942 /nfs/dbraw/zinc/27/99/42/1068279942.db2.gz VFWIBYKGQSGMRI-MRXNPFEDSA-N 0 0 455.388 4.634 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC001463080261 1068280728 /nfs/dbraw/zinc/28/07/28/1068280728.db2.gz OIYRJRZKXNRVTP-MRVPVSSYSA-N 0 0 457.184 4.760 20 0 JJADRN Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1F ZINC001463081834 1068281180 /nfs/dbraw/zinc/28/11/80/1068281180.db2.gz DIOIAVZSKNJTLX-DEOSSOPVSA-N 0 0 455.526 4.942 20 0 JJADRN COCCc1ccc(S(=O)(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)cc1 ZINC001463084291 1068282098 /nfs/dbraw/zinc/28/20/98/1068282098.db2.gz DYJIHKUPHFQFEG-JOCHJYFZSA-N 0 0 451.922 4.875 20 0 JJADRN CC(C)[C@@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)Cc1ccc(Cl)cc1Cl ZINC001463086200 1068282485 /nfs/dbraw/zinc/28/24/85/1068282485.db2.gz NUQGRPFXMXUOBN-LJQANCHMSA-N 0 0 456.435 4.905 20 0 JJADRN Cc1ncsc1CCS(=O)(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001463086085 1068282525 /nfs/dbraw/zinc/28/25/25/1068282525.db2.gz LYCVNPVAZVBKOD-UHFFFAOYSA-N 0 0 458.649 4.960 20 0 JJADRN COc1cccc(-c2ccc(CNS(=O)(=O)c3cc(Br)sc3C)cc2)c1 ZINC001463088844 1068283010 /nfs/dbraw/zinc/28/30/10/1068283010.db2.gz DLDSTTJIVBGBNE-UHFFFAOYSA-N 0 0 452.395 4.973 20 0 JJADRN COc1ccccc1-n1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2sccc2C)cn1 ZINC001463092468 1068284183 /nfs/dbraw/zinc/28/41/83/1068284183.db2.gz HQCRQNJLLSPIEH-HXUWFJFHSA-N 0 0 453.589 4.513 20 0 JJADRN CSc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC001463094532 1068284950 /nfs/dbraw/zinc/28/49/50/1068284950.db2.gz KMWSTCSTYONLRE-CYBMUJFWSA-N 0 0 450.935 4.638 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001463095030 1068284969 /nfs/dbraw/zinc/28/49/69/1068284969.db2.gz QQTOSXOJCHSNIS-PNLZDCPESA-N 0 0 457.412 4.668 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1Cl ZINC001463098671 1068286071 /nfs/dbraw/zinc/28/60/71/1068286071.db2.gz QZWOJKWJYJXDIK-UHFFFAOYSA-N 0 0 453.944 4.644 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)Cc2ccc(C)c(C)c2)c2ccc(OC)cc2OC)cc1 ZINC001463100524 1068286574 /nfs/dbraw/zinc/28/65/74/1068286574.db2.gz XKPSRZZIQADSDH-RUZDIDTESA-N 0 0 455.576 4.538 20 0 JJADRN Cc1ccc([S@@](C)(=O)=NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001463101268 1068287407 /nfs/dbraw/zinc/28/74/07/1068287407.db2.gz OXXDGRKAVONVRC-XFSFLGPDSA-N 0 0 455.580 4.596 20 0 JJADRN CC(C)CC[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100916 1068287474 /nfs/dbraw/zinc/28/74/74/1068287474.db2.gz YCFQVPDWPRAKAP-UPCLLVRISA-N 0 0 453.468 4.591 20 0 JJADRN Cc1ccc([S@](C)(=O)=NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001463101259 1068287644 /nfs/dbraw/zinc/28/76/44/1068287644.db2.gz OXXDGRKAVONVRC-MNAQKMTRSA-N 0 0 455.580 4.596 20 0 JJADRN COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2C)c1 ZINC001463102716 1068288139 /nfs/dbraw/zinc/28/81/39/1068288139.db2.gz YZHCRVCEUUAUSK-GOSISDBHSA-N 0 0 454.386 4.610 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001463101377 1068288185 /nfs/dbraw/zinc/28/81/85/1068288185.db2.gz RUFLYFFCIYQURA-SFHVURJKSA-N 0 0 456.530 4.832 20 0 JJADRN Cc1ccc([S@](C)(=O)=NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 ZINC001463102910 1068288720 /nfs/dbraw/zinc/28/87/20/1068288720.db2.gz SHOWQIHPWLUZDC-LJAQVGFWSA-N 0 0 459.305 4.814 20 0 JJADRN CC1(C)CC[C@@H](CCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)OC1 ZINC001463104311 1068288906 /nfs/dbraw/zinc/28/89/06/1068288906.db2.gz WJXMVHYMKCGTQN-AWEZNQCLSA-N 0 0 457.411 4.894 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001463103296 1068288986 /nfs/dbraw/zinc/28/89/86/1068288986.db2.gz WRAPCOJVAZFQHB-LLVKDONJSA-N 0 0 450.757 4.502 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1-c1ccccc1 ZINC001463104337 1068288997 /nfs/dbraw/zinc/28/89/97/1068288997.db2.gz QVDRHDZDDCRXQS-OAQYLSRUSA-N 0 0 450.970 4.819 20 0 JJADRN O=S(=O)(c1cnc2c(Br)csc2c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001463105174 1068289513 /nfs/dbraw/zinc/28/95/13/1068289513.db2.gz BPSDZHKSAFOMRZ-LBPRGKRZSA-N 0 0 457.802 4.890 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)c4ccc(Cl)cc4)C3)o2)cc1 ZINC001463109373 1068290131 /nfs/dbraw/zinc/29/01/31/1068290131.db2.gz YRLLMYOIWJDUPW-NRFANRHFSA-N 0 0 450.922 4.837 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001463110801 1068290541 /nfs/dbraw/zinc/29/05/41/1068290541.db2.gz KGSMUGFBGBNAAD-JOCHJYFZSA-N 0 0 454.567 4.660 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)C1)c1ccc(Cl)cc1 ZINC001463109681 1068290627 /nfs/dbraw/zinc/29/06/27/1068290627.db2.gz ZTCHFFBTPXWIFG-HNNXBMFYSA-N 0 0 456.167 4.791 20 0 JJADRN Cc1cc(Br)ccc1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC001463111695 1068291249 /nfs/dbraw/zinc/29/12/49/1068291249.db2.gz MDARPVRHFLJWAI-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1-c1ccccc1 ZINC001463114125 1068291647 /nfs/dbraw/zinc/29/16/47/1068291647.db2.gz BMENOWSEKPEIBB-UHFFFAOYSA-N 0 0 455.923 4.544 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC001463113825 1068291731 /nfs/dbraw/zinc/29/17/31/1068291731.db2.gz UVBUQIGHBDICMS-AWEZNQCLSA-N 0 0 459.381 4.584 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)s1 ZINC001463117130 1068293267 /nfs/dbraw/zinc/29/32/67/1068293267.db2.gz OQIHENFHUWGXFO-UHFFFAOYSA-N 0 0 458.380 4.901 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H]1COc1ccc(Br)cc1)[C@@H]1OCCc2sccc21 ZINC001463120111 1068293617 /nfs/dbraw/zinc/29/36/17/1068293617.db2.gz HWVIAFIHTQMDSH-UVFQYZLESA-N 0 0 450.398 4.831 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001463120552 1068293854 /nfs/dbraw/zinc/29/38/54/1068293854.db2.gz BODSERLGZWOHGI-VLIAUNLRSA-N 0 0 450.919 4.721 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC001463124756 1068295648 /nfs/dbraw/zinc/29/56/48/1068295648.db2.gz LKHRKBOGNMSJDR-UHFFFAOYSA-N 0 0 456.608 4.696 20 0 JJADRN O=S(=O)(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccccc1Cl ZINC001463124457 1068295677 /nfs/dbraw/zinc/29/56/77/1068295677.db2.gz HWKWDAICPZHLLJ-UHFFFAOYSA-N 0 0 457.979 4.903 20 0 JJADRN COCCOCCOc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1 ZINC001463125792 1068296210 /nfs/dbraw/zinc/29/62/10/1068296210.db2.gz CFHCKTQXWQFDOZ-UHFFFAOYSA-N 0 0 451.306 4.943 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)CCc1nc(-c2ccsc2)no1 ZINC001463129577 1068297289 /nfs/dbraw/zinc/29/72/89/1068297289.db2.gz YNWQYWOLEPKSPI-UHFFFAOYSA-N 0 0 452.399 4.574 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001463130940 1068297391 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CCc1cc(S(=O)(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)c(C)cc1OC ZINC001463147696 1068302935 /nfs/dbraw/zinc/30/29/35/1068302935.db2.gz YAMPRCHALQJVHR-KRWDZBQOSA-N 0 0 452.016 4.871 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)NC(C)(C)c3cccc(Cl)c3)cc2c1C ZINC001463150102 1068304301 /nfs/dbraw/zinc/30/43/01/1068304301.db2.gz UWYGSLSICCQEGV-UHFFFAOYSA-N 0 0 452.985 4.648 20 0 JJADRN Cc1ccc(-c2ccsc2C(=O)N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001463151860 1068304854 /nfs/dbraw/zinc/30/48/54/1068304854.db2.gz ZIULOSXANAZJLK-UHFFFAOYSA-N 0 0 456.608 4.964 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(Cl)cc(F)c1C(N)=O ZINC001463154787 1068305781 /nfs/dbraw/zinc/30/57/81/1068305781.db2.gz HGDGQZFBBOFEMM-UHFFFAOYSA-N 0 0 454.310 4.828 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2Br)CC1)c1ccc(OC2CCCC2)cc1 ZINC001463157862 1068306265 /nfs/dbraw/zinc/30/62/65/1068306265.db2.gz ZIDQVSDJYCJPHY-UHFFFAOYSA-N 0 0 450.398 4.781 20 0 JJADRN COC(=O)C[C@H](NS(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccc(C(C)(C)C)cc1 ZINC001463163691 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CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)ccc2s1 ZINC001463182795 1068312385 /nfs/dbraw/zinc/31/23/85/1068312385.db2.gz BVKLNYRZHAVVHL-LBPRGKRZSA-N 0 0 451.953 4.708 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)c1 ZINC001463182812 1068312556 /nfs/dbraw/zinc/31/25/56/1068312556.db2.gz OAUSSJZQGNFAEN-NOZRDPDXSA-N 0 0 464.587 4.710 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186419 1068313698 /nfs/dbraw/zinc/31/36/98/1068313698.db2.gz PIRKHICAVXSIGV-BEFAXECRSA-N 0 0 458.805 4.857 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1C ZINC001463187536 1068314033 /nfs/dbraw/zinc/31/40/33/1068314033.db2.gz RJUNCKRJXFSKBN-FQEVSTJZSA-N 0 0 454.514 4.511 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)S(=O)(=O)C[C@@H]1CCCC(C)(C)O1)CCO2 ZINC001463186786 1068314165 /nfs/dbraw/zinc/31/41/65/1068314165.db2.gz LVXNKGLLSKVBRD-JTHBVZDNSA-N 0 0 459.608 4.699 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC001463188293 1068314731 /nfs/dbraw/zinc/31/47/31/1068314731.db2.gz UMFMNYVMUSPWFN-UHFFFAOYSA-N 0 0 452.363 4.585 20 0 JJADRN COCCOc1ccc(NC(=O)CCc2ccc(Br)cc2)cc1Br ZINC001463190398 1068315260 /nfs/dbraw/zinc/31/52/60/1068315260.db2.gz JVNSGHSMJVJRMC-UHFFFAOYSA-N 0 0 457.162 4.808 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@@H](C2CC2)O1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001463191345 1068315421 /nfs/dbraw/zinc/31/54/21/1068315421.db2.gz CLRCNKUWOVDNDC-RTWAWAEBSA-N 0 0 455.498 4.875 20 0 JJADRN CC(C)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC001463190873 1068315509 /nfs/dbraw/zinc/31/55/09/1068315509.db2.gz IWLPLSYYXLGXHH-ZWKOTPCHSA-N 0 0 454.493 4.518 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@H](C2CC2)O1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001463191340 1068315564 /nfs/dbraw/zinc/31/55/64/1068315564.db2.gz CLRCNKUWOVDNDC-NHCUHLMSSA-N 0 0 455.498 4.875 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC001463192807 1068316029 /nfs/dbraw/zinc/31/60/29/1068316029.db2.gz JKHIPKAKBNTLFF-BSDZUQITSA-N 0 0 453.535 4.617 20 0 JJADRN O=S(=O)(NCc1ccc(Oc2ccccc2F)c(F)c1)c1c(Cl)nc2sccn21 ZINC001463192489 1068316050 /nfs/dbraw/zinc/31/60/50/1068316050.db2.gz GQXXLDMZKJWZFE-UHFFFAOYSA-N 0 0 455.895 4.598 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 ZINC001463195745 1068316734 /nfs/dbraw/zinc/31/67/34/1068316734.db2.gz PBJNGFOYHBIYER-NRFANRHFSA-N 0 0 450.579 4.827 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)s1 ZINC001463196018 1068316964 /nfs/dbraw/zinc/31/69/64/1068316964.db2.gz BULVFYUAYOPLKY-UGSOOPFHSA-N 0 0 451.386 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2nc3ccc4scnc4c3s2)C1 ZINC001463202556 1068318514 /nfs/dbraw/zinc/31/85/14/1068318514.db2.gz AXQKIFPZZDUHNS-SNVBAGLBSA-N 0 0 454.524 4.737 20 0 JJADRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1(CC)CC ZINC001463201963 1068318573 /nfs/dbraw/zinc/31/85/73/1068318573.db2.gz KHYFACZMNHACMN-HUUCEWRRSA-N 0 0 458.340 4.730 20 0 JJADRN CC[C@H](C(=O)N[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463204739 1068319069 /nfs/dbraw/zinc/31/90/69/1068319069.db2.gz DDPVCPDBPIYOTL-DLBZAZTESA-N 0 0 458.274 4.992 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2c2ccc(CC)o2)c(F)cc1Cl ZINC001463203880 1068319244 /nfs/dbraw/zinc/31/92/44/1068319244.db2.gz XGGKPMCHZCTWCB-ACJLOTCBSA-N 0 0 457.951 4.973 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001463205862 1068319767 /nfs/dbraw/zinc/31/97/67/1068319767.db2.gz QYJNOVNIKBNDPJ-SFHVURJKSA-N 0 0 452.816 4.587 20 0 JJADRN Cc1cnc2c(cccc2S(=O)(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 ZINC001463206732 1068320117 /nfs/dbraw/zinc/32/01/17/1068320117.db2.gz VGEJYWLREVDLJF-UHFFFAOYSA-N 0 0 451.592 4.637 20 0 JJADRN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001463209355 1068321267 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454.297 4.998 20 0 JJADRN CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463217899 1068323537 /nfs/dbraw/zinc/32/35/37/1068323537.db2.gz GIRCJCIXEGGLPL-SKDRFNHKSA-N 0 0 451.770 4.539 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001463220309 1068324183 /nfs/dbraw/zinc/32/41/83/1068324183.db2.gz BMNDODGWGGBJNV-UHFFFAOYSA-N 0 0 456.377 4.777 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC001463221806 1068324831 /nfs/dbraw/zinc/32/48/31/1068324831.db2.gz DZXIUNBMTNRTTB-UHFFFAOYSA-N 0 0 452.548 4.640 20 0 JJADRN CS(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)cc1F ZINC001463223168 1068325051 /nfs/dbraw/zinc/32/50/51/1068325051.db2.gz WNXYWRYQMHSKRN-PZJWPPBQSA-N 0 0 457.633 4.521 20 0 JJADRN CCCN([C@H]1C[C@H](OCC)C12CCCCC2)S(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC001463222492 1068325351 /nfs/dbraw/zinc/32/53/51/1068325351.db2.gz RZUFLTCROXWMCX-VXKWHMMOSA-N 0 0 451.629 4.700 20 0 JJADRN CCC1(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)CC1 ZINC001546137355 1068325983 /nfs/dbraw/zinc/32/59/83/1068325983.db2.gz OZZNMDZNGSYISH-QGZVFWFLSA-N 0 0 478.588 4.934 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC001463226163 1068327189 /nfs/dbraw/zinc/32/71/89/1068327189.db2.gz ZXRKMMFRQXKTKI-UHFFFAOYSA-N 0 0 455.841 4.802 20 0 JJADRN CCc1nc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)nn1-c1ccccc1F ZINC001463228007 1068327752 /nfs/dbraw/zinc/32/77/52/1068327752.db2.gz DOPPSCWILDZERL-UHFFFAOYSA-N 0 0 451.889 4.740 20 0 JJADRN CC1(C)CCC[C@H]1N(Cc1ccccc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463229904 1068328167 /nfs/dbraw/zinc/32/81/67/1068328167.db2.gz GZWCHBJUFFJKMA-DNQXCXABSA-N 0 0 454.636 4.702 20 0 JJADRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463229918 1068328282 /nfs/dbraw/zinc/32/82/82/1068328282.db2.gz GZWCHBJUFFJKMA-ZEQRLZLVSA-N 0 0 454.636 4.702 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c2ccccc21 ZINC001463229949 1068328482 /nfs/dbraw/zinc/32/84/82/1068328482.db2.gz DRKFEMCHKHTTDD-KRWDZBQOSA-N 0 0 451.498 4.590 20 0 JJADRN O=C(Nc1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1)[C@@]1(F)CCS(=O)(=O)C1 ZINC001463230258 1068328841 /nfs/dbraw/zinc/32/88/41/1068328841.db2.gz PWSGWPKQPVLGOC-HXUWFJFHSA-N 0 0 450.944 4.596 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC001463230509 1068328994 /nfs/dbraw/zinc/32/89/94/1068328994.db2.gz HZSIPQCJCRFMKQ-MRXNPFEDSA-N 0 0 459.424 4.843 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(Cl)c1 ZINC001463234012 1068329833 /nfs/dbraw/zinc/32/98/33/1068329833.db2.gz ZGKMNSBKRBLAKJ-OAQYLSRUSA-N 0 0 454.885 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001463236426 1068330462 /nfs/dbraw/zinc/33/04/62/1068330462.db2.gz JNFTYLODBZPLNC-INIZCTEOSA-N 0 0 458.386 4.509 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC001463235492 1068330595 /nfs/dbraw/zinc/33/05/95/1068330595.db2.gz UERAEBLSRCXBLX-JOCHJYFZSA-N 0 0 456.542 4.807 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001463236663 1068331058 /nfs/dbraw/zinc/33/10/58/1068331058.db2.gz KWQGLDRRVMSOMA-OAQYLSRUSA-N 0 0 452.389 4.788 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)S(=O)(=O)c2ccc3sc(Cl)nc3c2)n1 ZINC001463238172 1068331290 /nfs/dbraw/zinc/33/12/90/1068331290.db2.gz IPAZXSMYQAFDEP-UHFFFAOYSA-N 0 0 458.996 4.748 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)c2ccccc21 ZINC001463237918 1068331441 /nfs/dbraw/zinc/33/14/41/1068331441.db2.gz ZGSGAEVTPSCKHC-HNNXBMFYSA-N 0 0 455.352 4.947 20 0 JJADRN CN1C(=O)CN(C(=O)CCCc2ccccc2Br)c2ccc(C(F)(F)F)cc21 ZINC001463239624 1068331760 /nfs/dbraw/zinc/33/17/60/1068331760.db2.gz MNNSWIUTGKNOSR-UHFFFAOYSA-N 0 0 455.274 4.800 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001463239592 1068331803 /nfs/dbraw/zinc/33/18/03/1068331803.db2.gz MRTUSHYDONTMLI-SFHVURJKSA-N 0 0 458.805 4.515 20 0 JJADRN COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001463239124 1068331992 /nfs/dbraw/zinc/33/19/92/1068331992.db2.gz NVHYOIOEBQEPBQ-ZHRRBRCNSA-N 0 0 459.951 4.961 20 0 JJADRN Cc1ccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c(F)c1F ZINC001463241714 1068332451 /nfs/dbraw/zinc/33/24/51/1068332451.db2.gz SVLYYEQOYKTOJQ-QGZVFWFLSA-N 0 0 456.514 4.794 20 0 JJADRN O=C(NCCc1ccc(OS(=O)(=O)c2sccc2Cl)cc1)c1ccc(Cl)cc1 ZINC001463243520 1068332756 /nfs/dbraw/zinc/33/27/56/1068332756.db2.gz YVSKBQNBMBZUFO-UHFFFAOYSA-N 0 0 456.372 4.795 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)S(=O)(=O)c2cc3nc(Cl)ccc3s2)n1 ZINC001463243496 1068332942 /nfs/dbraw/zinc/33/29/42/1068332942.db2.gz UJFIBIHHCSDNCC-UHFFFAOYSA-N 0 0 458.996 4.748 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CCCCC1 ZINC001463246253 1068333292 /nfs/dbraw/zinc/33/32/92/1068333292.db2.gz FDUDSPWZZFOKTJ-UHFFFAOYSA-N 0 0 454.489 4.607 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1)C2 ZINC001463246543 1068333481 /nfs/dbraw/zinc/33/34/81/1068333481.db2.gz ZYQLESGDLRQCMC-VIZSFHNOSA-N 0 0 480.605 4.755 20 0 JJADRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1ccc(C(F)(F)F)s1)C[C@H](C)O2 ZINC001463248953 1068334360 /nfs/dbraw/zinc/33/43/60/1068334360.db2.gz UWVVMEDTOSMXBX-VIFPVBQESA-N 0 0 456.305 4.814 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC001463251668 1068335424 /nfs/dbraw/zinc/33/54/24/1068335424.db2.gz OVEOMXZFUXQTOE-UHFFFAOYSA-N 0 0 453.873 4.695 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1)Oc1cccc(F)c1 ZINC001463256618 1068336451 /nfs/dbraw/zinc/33/64/51/1068336451.db2.gz RNUZNGJIMCBOFX-QFIPXVFZSA-N 0 0 456.539 4.587 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1cc2c(Br)cccc2cn1 ZINC001463254727 1068336541 /nfs/dbraw/zinc/33/65/41/1068336541.db2.gz VMDXUZXHZCFAGZ-UHFFFAOYSA-N 0 0 452.283 4.599 20 0 JJADRN Cc1ccccc1[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC001463257213 1068336844 /nfs/dbraw/zinc/33/68/44/1068336844.db2.gz FSTDCTCZXMHBMO-GMAHTHKFSA-N 0 0 458.624 4.660 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)c(Cl)cc1Cl ZINC001463260132 1068337465 /nfs/dbraw/zinc/33/74/65/1068337465.db2.gz UMYRQRREKBHWSR-UHFFFAOYSA-N 0 0 454.244 4.637 20 0 JJADRN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cccnc2SCc2cccc(Br)c2)C1 ZINC001463260934 1068337503 /nfs/dbraw/zinc/33/75/03/1068337503.db2.gz GPDFKSWJTYMTPQ-PBHICJAKSA-N 0 0 463.397 4.598 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001463262574 1068337660 /nfs/dbraw/zinc/33/76/60/1068337660.db2.gz OCMWVAGXLLVTLZ-ZFWWWQNUSA-N 0 0 458.805 4.753 20 0 JJADRN O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC001463262274 1068337675 /nfs/dbraw/zinc/33/76/75/1068337675.db2.gz SDKPPBYBMWDMBU-LPHOPBHVSA-N 0 0 455.548 4.555 20 0 JJADRN COc1cccc([C@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2cc(F)ccc2OC)c1 ZINC001463263649 1068338177 /nfs/dbraw/zinc/33/81/77/1068338177.db2.gz OZEXOAAXKGTUBP-QHCPKHFHSA-N 0 0 459.539 4.536 20 0 JJADRN CC[C@@H](CNS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)Oc1cccc(C(F)(F)F)c1 ZINC001463263610 1068338453 /nfs/dbraw/zinc/33/84/53/1068338453.db2.gz ONFCNDSUMJJWCK-SFHVURJKSA-N 0 0 455.498 4.778 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463263821 1068338890 /nfs/dbraw/zinc/33/88/90/1068338890.db2.gz PRADMUNFWVFOQP-HXUWFJFHSA-N 0 0 456.980 4.664 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463267867 1068339387 /nfs/dbraw/zinc/33/93/87/1068339387.db2.gz JGTMOXPCJOFXDS-IRXDYDNUSA-N 0 0 457.983 4.800 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463267868 1068339922 /nfs/dbraw/zinc/33/99/22/1068339922.db2.gz JGTMOXPCJOFXDS-SJORKVTESA-N 0 0 457.983 4.800 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2F)c2cc(OC)ccc21 ZINC001463270991 1068340551 /nfs/dbraw/zinc/34/05/51/1068340551.db2.gz CKNPJXVSIFGSLF-HSZRJFAPSA-N 0 0 452.505 4.899 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O ZINC001463279006 1068341919 /nfs/dbraw/zinc/34/19/19/1068341919.db2.gz LZNAUZHOZPRLSB-JOCHJYFZSA-N 0 0 458.624 4.795 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)Oc1cc(F)cc(Br)c1 ZINC001463278672 1068342645 /nfs/dbraw/zinc/34/26/45/1068342645.db2.gz VQUPDRSCXWRJSW-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463278938 1068342773 /nfs/dbraw/zinc/34/27/73/1068342773.db2.gz RJWKGVUSTGWNJG-UHFFFAOYSA-N 0 0 451.523 4.616 20 0 JJADRN COc1ccccc1C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(C)C ZINC001463279184 1068342789 /nfs/dbraw/zinc/34/27/89/1068342789.db2.gz MRLLVNPFHNHXQN-OAHLLOKOSA-N 0 0 451.894 4.793 20 0 JJADRN COc1cccc(C=C2CCN(S(=O)(=O)Cc3cc(C)ccc3Br)CC2)c1 ZINC001463280693 1068343304 /nfs/dbraw/zinc/34/33/04/1068343304.db2.gz CCLJZMYGNVAAIH-UHFFFAOYSA-N 0 0 450.398 4.775 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC001463289576 1068345859 /nfs/dbraw/zinc/34/58/59/1068345859.db2.gz XVPLCPHWQSURGQ-DOMZBBRYSA-N 0 0 455.026 4.647 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001463291424 1068346346 /nfs/dbraw/zinc/34/63/46/1068346346.db2.gz URHGWSSDKCOSNF-OAQYLSRUSA-N 0 0 458.436 4.714 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001463293553 1068347399 /nfs/dbraw/zinc/34/73/99/1068347399.db2.gz LXSZBIYYYZCNJC-HXUWFJFHSA-N 0 0 452.320 4.936 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OS(=O)(=O)CCc2ccccc2F)cc1 ZINC001463295645 1068347856 /nfs/dbraw/zinc/34/78/56/1068347856.db2.gz KQBQJABLMJISOT-UHFFFAOYSA-N 0 0 451.523 4.642 20 0 JJADRN COCCO[C@]12CCC[C@@]1(NC(=O)c1ccc(Oc3cccc(Cl)c3Cl)nc1)CCO2 ZINC001463297174 1068348539 /nfs/dbraw/zinc/34/85/39/1068348539.db2.gz WLTQTDAMYNFVLX-FGZHOGPDSA-N 0 0 467.349 4.613 20 0 JJADRN C[C@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1nc2ccccc2s1 ZINC001463297048 1068348770 /nfs/dbraw/zinc/34/87/70/1068348770.db2.gz COFSTJHWTJGEHF-CYBMUJFWSA-N 0 0 450.532 4.908 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)Cc2ccc(Br)c(Br)c2)cc1 ZINC001463300129 1068349497 /nfs/dbraw/zinc/34/94/97/1068349497.db2.gz VHAXQUNAEWDHEK-UHFFFAOYSA-N 0 0 455.190 4.854 20 0 JJADRN COc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1Br ZINC001463305024 1068350595 /nfs/dbraw/zinc/35/05/95/1068350595.db2.gz CFNSHPLBFINIOH-UHFFFAOYSA-N 0 0 451.792 4.701 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001463306002 1068350890 /nfs/dbraw/zinc/35/08/90/1068350890.db2.gz JECTWEKYYAJZJR-CYBMUJFWSA-N 0 0 458.930 4.721 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001463313597 1068352657 /nfs/dbraw/zinc/35/26/57/1068352657.db2.gz JWMVROABNCDMAF-QKDODKLFSA-N 0 0 465.615 4.563 20 0 JJADRN CCCCn1cc(S(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)c(C)n1 ZINC001463312204 1068352781 /nfs/dbraw/zinc/35/27/81/1068352781.db2.gz LWMZAPOGLXATSZ-UHFFFAOYSA-N 0 0 454.434 4.888 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1C ZINC001463315699 1068353230 /nfs/dbraw/zinc/35/32/30/1068353230.db2.gz QLLWUWLJGSKZDQ-UHFFFAOYSA-N 0 0 456.486 4.760 20 0 JJADRN CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)c(I)c1 ZINC001463316660 1068353690 /nfs/dbraw/zinc/35/36/90/1068353690.db2.gz GDKXUIJLJDFARB-MRXNPFEDSA-N 0 0 455.361 4.910 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)N2CCCc3c(C(F)(F)F)ccc(Cl)c32)CC1=O ZINC001463317305 1068353966 /nfs/dbraw/zinc/35/39/66/1068353966.db2.gz FBBBDYIDJWSOPZ-ZDUSSCGKSA-N 0 0 452.860 4.700 20 0 JJADRN CCOc1ccc(NC(=O)CCSc2ccccc2Br)c(C(=O)OC)c1F ZINC001463319254 1068354270 /nfs/dbraw/zinc/35/42/70/1068354270.db2.gz KOPKTNLQPFMIKG-UHFFFAOYSA-N 0 0 456.333 4.894 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C[C@H]1CCCO1 ZINC001463319864 1068354884 /nfs/dbraw/zinc/35/48/84/1068354884.db2.gz KVUJEZSQWWKHRF-LJQANCHMSA-N 0 0 451.523 4.849 20 0 JJADRN CC(C)C[C@@H]1CCCN(S(=O)(=O)c2c(Br)cc(F)cc2Br)C1 ZINC001463320557 1068354893 /nfs/dbraw/zinc/35/48/93/1068354893.db2.gz MHKIWMWFEVBZQA-NSHDSACASA-N 0 0 457.203 4.798 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccc(F)cc1F ZINC001463320107 1068354937 /nfs/dbraw/zinc/35/49/37/1068354937.db2.gz IDSUTNIOWCKRGI-HNNXBMFYSA-N 0 0 452.292 4.695 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCc4c(F)cc(F)cc4[C@@H]3C)cc2)cc1 ZINC001463320860 1068355096 /nfs/dbraw/zinc/35/50/96/1068355096.db2.gz AOKQXHADHFYFAG-HNNXBMFYSA-N 0 0 456.514 4.898 20 0 JJADRN CCOc1cccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1OC(F)F ZINC001463321428 1068355490 /nfs/dbraw/zinc/35/54/90/1068355490.db2.gz CLTMBDLFRPKICF-UHFFFAOYSA-N 0 0 459.820 4.837 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC001463322609 1068355907 /nfs/dbraw/zinc/35/59/07/1068355907.db2.gz RPIHZWQUMGXCFJ-CQSZACIVSA-N 0 0 451.386 4.895 20 0 JJADRN C[C@H](Cc1ccccc1Br)NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463322437 1068355936 /nfs/dbraw/zinc/35/59/36/1068355936.db2.gz KETPRMMGDVXFNB-LLVKDONJSA-N 0 0 457.752 4.699 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c1C ZINC001463323922 1068356570 /nfs/dbraw/zinc/35/65/70/1068356570.db2.gz RNVHRNIGDRYNFA-UHFFFAOYSA-N 0 0 452.620 4.798 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1cncnc1-c1ccccc1 ZINC001463326245 1068357617 /nfs/dbraw/zinc/35/76/17/1068357617.db2.gz JFUOLPXPLHFBTQ-UHFFFAOYSA-N 0 0 458.562 4.804 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N1CCCc3cc(CCNC(=O)OC(C)(C)C)ccc31)CC2 ZINC001463328193 1068357984 /nfs/dbraw/zinc/35/79/84/1068357984.db2.gz NRBKFXLOMQURTI-OAQYLSRUSA-N 0 0 450.579 4.772 20 0 JJADRN CCOCc1nc(C)c(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)s1 ZINC001463329058 1068358046 /nfs/dbraw/zinc/35/80/46/1068358046.db2.gz QSKHAFXHLCWXBM-UHFFFAOYSA-N 0 0 459.612 4.648 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)nc1C ZINC001463331599 1068358680 /nfs/dbraw/zinc/35/86/80/1068358680.db2.gz GYXGTVVUCRIGSA-UHFFFAOYSA-N 0 0 454.910 4.978 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001463331760 1068358748 /nfs/dbraw/zinc/35/87/48/1068358748.db2.gz VIHDSWCVYCIQEZ-JTQLQIEISA-N 0 0 450.732 4.997 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(CCc2cccc(F)c2)C2CCCC2)c(F)cc1Cl ZINC001463332028 1068359207 /nfs/dbraw/zinc/35/92/07/1068359207.db2.gz NNVCPHNKOPSKEM-UHFFFAOYSA-N 0 0 457.926 4.581 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC001463332499 1068359408 /nfs/dbraw/zinc/35/94/08/1068359408.db2.gz LRQWJUIDQLWHCA-UHFFFAOYSA-N 0 0 456.377 4.773 20 0 JJADRN C[S@](=O)(=NS(=O)(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333557 1068360019 /nfs/dbraw/zinc/36/00/19/1068360019.db2.gz FMFHAJMNQOYQSX-WTYVLRPYSA-N 0 0 459.008 4.833 20 0 JJADRN CCOC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)c1 ZINC001463335851 1068360414 /nfs/dbraw/zinc/36/04/14/1068360414.db2.gz ZPAORTRNJQXQFE-QGZVFWFLSA-N 0 0 451.560 4.603 20 0 JJADRN CC(C)(C)OC(=O)N(CCNS(=O)(=O)C[C@H]1CCCCC1(F)F)C1CCCCCC1 ZINC001463335602 1068360577 /nfs/dbraw/zinc/36/05/77/1068360577.db2.gz JXYMKHVWGVXWAF-QGZVFWFLSA-N 0 0 452.608 4.691 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463339025 1068361813 /nfs/dbraw/zinc/36/18/13/1068361813.db2.gz XWPAGFWORSAODW-QFIPXVFZSA-N 0 0 457.534 4.905 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)cc1OC ZINC001463341289 1068362532 /nfs/dbraw/zinc/36/25/32/1068362532.db2.gz CLDLUJSVILNUJV-FQEVSTJZSA-N 0 0 456.004 4.746 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343015 1068363802 /nfs/dbraw/zinc/36/38/02/1068363802.db2.gz PAFZRAKJQNLEDP-ZWKOTPCHSA-N 0 0 457.665 4.877 20 0 JJADRN COC(=O)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(F)c1Cl ZINC001463343765 1068363847 /nfs/dbraw/zinc/36/38/47/1068363847.db2.gz BRFJRDUCJHPJHR-UHFFFAOYSA-N 0 0 459.827 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)C1 ZINC001463344105 1068364393 /nfs/dbraw/zinc/36/43/93/1068364393.db2.gz JULMBDJCEMWSFB-UHFFFAOYSA-N 0 0 453.377 4.559 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3ccc(C)nc3Br)nc21 ZINC001463344250 1068364561 /nfs/dbraw/zinc/36/45/61/1068364561.db2.gz AYLWCQIBSYWKCO-UHFFFAOYSA-N 0 0 457.147 4.786 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001463346052 1068365051 /nfs/dbraw/zinc/36/50/51/1068365051.db2.gz FAWVRORWHAJECX-DEOSSOPVSA-N 0 0 453.560 4.581 20 0 JJADRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2nc(C)sc2-c2ccccc2)cc1 ZINC001463345994 1068365722 /nfs/dbraw/zinc/36/57/22/1068365722.db2.gz DGUWPORQABERJP-UHFFFAOYSA-N 0 0 451.573 4.918 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(F)c1Cl ZINC001463349137 1068366963 /nfs/dbraw/zinc/36/69/63/1068366963.db2.gz XPNYSUBGDNRQPP-UHFFFAOYSA-N 0 0 450.297 4.903 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3ccc(Br)cc3C)ccc21 ZINC001463350951 1068367631 /nfs/dbraw/zinc/36/76/31/1068367631.db2.gz YWXKYFDTNJQJTO-UHFFFAOYSA-N 0 0 452.370 4.559 20 0 JJADRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001463353528 1068368112 /nfs/dbraw/zinc/36/81/12/1068368112.db2.gz RGWPOFJGUNAAIV-UHFFFAOYSA-N 0 0 457.987 4.552 20 0 JJADRN CCCS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CCCCC2)cc1 ZINC001463357519 1068369537 /nfs/dbraw/zinc/36/95/37/1068369537.db2.gz ICRZJDMQJJTWMY-UHFFFAOYSA-N 0 0 453.601 4.533 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1OC ZINC001463356987 1068369665 /nfs/dbraw/zinc/36/96/65/1068369665.db2.gz MVFWSEJLJMCSDQ-UHFFFAOYSA-N 0 0 459.608 4.941 20 0 JJADRN O=c1[nH]c2cc(Br)c(S(=O)(=O)Oc3ccc4c(c3)CCCC4)c(Cl)c2o1 ZINC001463360711 1068370722 /nfs/dbraw/zinc/37/07/22/1068370722.db2.gz MEAJCDCZFRHSDG-UHFFFAOYSA-N 0 0 458.717 4.596 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2ccc3c(c2)CCCC3)cc(Br)c1C ZINC001463361143 1068371382 /nfs/dbraw/zinc/37/13/82/1068371382.db2.gz OEJMPNCVCDIRJT-UHFFFAOYSA-N 0 0 453.354 4.581 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)N1CC(F)(F)CC[C@H]1C ZINC001463362680 1068371791 /nfs/dbraw/zinc/37/17/91/1068371791.db2.gz FSKOCTOWAWNNLX-MRVPVSSYSA-N 0 0 458.084 4.622 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1)C[C@@H](C)C2 ZINC001463364535 1068373037 /nfs/dbraw/zinc/37/30/37/1068373037.db2.gz VRSGCTZESDZMNS-ZFWWWQNUSA-N 0 0 457.489 4.788 20 0 JJADRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001463364291 1068373085 /nfs/dbraw/zinc/37/30/85/1068373085.db2.gz ZOYGXSNOKFJZCR-UTKZUKDTSA-N 0 0 455.601 4.611 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001463365650 1068373462 /nfs/dbraw/zinc/37/34/62/1068373462.db2.gz ZXVKPPLYBUEUKE-RTWAWAEBSA-N 0 0 455.480 4.879 20 0 JJADRN COC(=O)CCCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001463366072 1068373498 /nfs/dbraw/zinc/37/34/98/1068373498.db2.gz WSBLBFISHCBFBB-UHFFFAOYSA-N 0 0 450.428 4.848 20 0 JJADRN CCC[C@](C)(NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001463366453 1068373974 /nfs/dbraw/zinc/37/39/74/1068373974.db2.gz NIJVPELSTSYKKJ-IERDGZPVSA-N 0 0 452.414 4.691 20 0 JJADRN CCC[C@@](C)(NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)c1ccccc1 ZINC001463368080 1068374260 /nfs/dbraw/zinc/37/42/60/1068374260.db2.gz JQYVQSTXCISMFK-HHHXNRCGSA-N 0 0 452.595 4.922 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC001463370499 1068374462 /nfs/dbraw/zinc/37/44/62/1068374462.db2.gz STCVKRXZRSZNRZ-UHFFFAOYSA-N 0 0 452.986 4.563 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC001463372018 1068374999 /nfs/dbraw/zinc/37/49/99/1068374999.db2.gz DWZNRBLAYIHBSR-UHFFFAOYSA-N 0 0 450.482 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC001463373453 1068375521 /nfs/dbraw/zinc/37/55/21/1068375521.db2.gz IXYQITHELLTTAD-WLRWDXFRSA-N 0 0 461.759 4.761 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCc3cc(Br)ccc32)c1Br ZINC001463374055 1068375665 /nfs/dbraw/zinc/37/56/65/1068375665.db2.gz DEHBVJHIQFLJSK-UHFFFAOYSA-N 0 0 451.205 4.641 20 0 JJADRN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)CC2)c1 ZINC001463375630 1068376385 /nfs/dbraw/zinc/37/63/85/1068376385.db2.gz LCMAJPQZJHPFKI-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463376029 1068376406 /nfs/dbraw/zinc/37/64/06/1068376406.db2.gz ANAHXOPUMFSVHG-JQWIXIFHSA-N 0 0 450.832 4.852 20 0 JJADRN CC(C)(C)c1ccc(C2(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CCCC2)cc1 ZINC001463377573 1068376951 /nfs/dbraw/zinc/37/69/51/1068376951.db2.gz WKWGDOSPFTXIAT-UHFFFAOYSA-N 0 0 458.599 4.798 20 0 JJADRN CN(C)[C@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC001463380109 1068378249 /nfs/dbraw/zinc/37/82/49/1068378249.db2.gz KHZPIQXCLXICSF-HNNXBMFYSA-N 0 0 452.329 4.918 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)CCC2Cc3ccccc3C2)c2ccccc2OC)cc1 ZINC001463382942 1068379176 /nfs/dbraw/zinc/37/91/76/1068379176.db2.gz MZIIWIPFKRCSIM-AREMUKBSSA-N 0 0 451.588 4.518 20 0 JJADRN CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@@H](CC)c2ccc(F)cc2)c1 ZINC001463383124 1068379294 /nfs/dbraw/zinc/37/92/94/1068379294.db2.gz UKESHNANVIWZIU-INIZCTEOSA-N 0 0 458.349 4.503 20 0 JJADRN COC(=O)C1(CS(=O)(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CCCC1 ZINC001463383501 1068379364 /nfs/dbraw/zinc/37/93/64/1068379364.db2.gz XRRPLFBMYHRCGK-LJQANCHMSA-N 0 0 456.391 4.736 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001463386001 1068380106 /nfs/dbraw/zinc/38/01/06/1068380106.db2.gz CCSOXFNBYNMVSI-GUYCJALGSA-N 0 0 450.354 4.976 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCCc3c(Br)cccc32)CC1 ZINC001463387247 1068380657 /nfs/dbraw/zinc/38/06/57/1068380657.db2.gz FRWWHUIETYVGQJ-VAWYXSNFSA-N 0 0 453.380 4.680 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)Cc1ccc(Cl)nc1C)C(F)(F)F ZINC001463389255 1068381160 /nfs/dbraw/zinc/38/11/60/1068381160.db2.gz DCYOTBJGRMFMGR-SFHVURJKSA-N 0 0 450.892 4.851 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c(F)cc1Cl ZINC001463387896 1068381479 /nfs/dbraw/zinc/38/14/79/1068381479.db2.gz BRKOQLFRRBNEBB-CQSZACIVSA-N 0 0 457.926 4.753 20 0 JJADRN O=S(=O)(NCc1ccc(Sc2ccc(F)cc2)cc1)c1cccc2c1OC(F)(F)O2 ZINC001463396351 1068383473 /nfs/dbraw/zinc/38/34/73/1068383473.db2.gz PSINNRLTRPUQTR-UHFFFAOYSA-N 0 0 453.463 4.777 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(Cc2ccc(C)cc2)CC1 ZINC001463396585 1068383957 /nfs/dbraw/zinc/38/39/57/1068383957.db2.gz SSAVQZRYPJNFEZ-UHFFFAOYSA-N 0 0 456.377 4.549 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n2)ccc1F ZINC001463398231 1068384062 /nfs/dbraw/zinc/38/40/62/1068384062.db2.gz UCNJMMWUZNPYSQ-UHFFFAOYSA-N 0 0 454.502 4.780 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Oc1ccc(Cl)cc1C(F)(F)F ZINC001463398527 1068384496 /nfs/dbraw/zinc/38/44/96/1068384496.db2.gz OZAQYEUYTVLKQQ-UHFFFAOYSA-N 0 0 458.241 4.747 20 0 JJADRN O=S(=O)(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)c(Cl)c1 ZINC001463401078 1068384783 /nfs/dbraw/zinc/38/47/83/1068384783.db2.gz HFNHFEPGVASYJV-OAHLLOKOSA-N 0 0 451.169 4.948 20 0 JJADRN O=S(=O)(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)c(Cl)c1 ZINC001463401072 1068384839 /nfs/dbraw/zinc/38/48/39/1068384839.db2.gz HFNHFEPGVASYJV-HNNXBMFYSA-N 0 0 451.169 4.948 20 0 JJADRN CCc1ncc(Cl)c(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)n1 ZINC001463404194 1068385863 /nfs/dbraw/zinc/38/58/63/1068385863.db2.gz TVJROOQBBWVVHN-HNNXBMFYSA-N 0 0 451.880 4.571 20 0 JJADRN CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)cc2C[C@@H]1C ZINC001463407643 1068386476 /nfs/dbraw/zinc/38/64/76/1068386476.db2.gz YKTNKZNGZZKVFN-STQMWFEESA-N 0 0 453.391 4.599 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC001463408695 1068387160 /nfs/dbraw/zinc/38/71/60/1068387160.db2.gz GGSZMDVDVBHNBK-ZXYASIKESA-N 0 0 457.979 4.885 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001463410138 1068387710 /nfs/dbraw/zinc/38/77/10/1068387710.db2.gz ISDVKQXEQXCMAB-QFIPXVFZSA-N 0 0 453.585 4.834 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c(C)cc1F ZINC001463410013 1068387789 /nfs/dbraw/zinc/38/77/89/1068387789.db2.gz IEOAKISEKJEICA-UHFFFAOYSA-N 0 0 459.461 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC001463411639 1068388056 /nfs/dbraw/zinc/38/80/56/1068388056.db2.gz LZQDAJMXYKMQIV-OAQYLSRUSA-N 0 0 455.368 4.984 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463411431 1068388504 /nfs/dbraw/zinc/38/85/04/1068388504.db2.gz MYQZBHXXBSRQIF-OAHLLOKOSA-N 0 0 458.324 4.650 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463412256 1068389135 /nfs/dbraw/zinc/38/91/35/1068389135.db2.gz OXJBMJKHFBALJL-IVZQSRNASA-N 0 0 453.988 4.582 20 0 JJADRN NC(=O)[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccc(Cl)cc1 ZINC001463414040 1068390094 /nfs/dbraw/zinc/39/00/94/1068390094.db2.gz VRXWYFQEKQFMCQ-QGZVFWFLSA-N 0 0 454.857 4.924 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1)C(C)C ZINC001463414136 1068390136 /nfs/dbraw/zinc/39/01/36/1068390136.db2.gz WLSJYSKGVCQZPG-HXUWFJFHSA-N 0 0 457.368 4.844 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463414034 1068390258 /nfs/dbraw/zinc/39/02/58/1068390258.db2.gz XQDOBKZIGUZNIP-GTNSWQLSSA-N 0 0 450.757 4.605 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 ZINC001463414945 1068390782 /nfs/dbraw/zinc/39/07/82/1068390782.db2.gz WZEIYCGARMJWDI-BXTJHSDWSA-N 0 0 456.402 4.681 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001463415546 1068390825 /nfs/dbraw/zinc/39/08/25/1068390825.db2.gz ZFFUCDLQNRARHF-XPIZARPCSA-N 0 0 452.414 4.565 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001463415655 1068390853 /nfs/dbraw/zinc/39/08/53/1068390853.db2.gz XVMNFZFDHZTQSQ-SNVBAGLBSA-N 0 0 457.276 4.709 20 0 JJADRN CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccc3ccccc32)c2ccccc2)cc1 ZINC001463417781 1068391004 /nfs/dbraw/zinc/39/10/04/1068391004.db2.gz IMPCVKWONGJNLE-UHFFFAOYSA-N 0 0 451.569 4.639 20 0 JJADRN CO[C@@H](CS(=O)(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001463417103 1068391138 /nfs/dbraw/zinc/39/11/38/1068391138.db2.gz CSIDRVDOERTQDO-SFHVURJKSA-N 0 0 452.400 4.673 20 0 JJADRN CN1CCc2c(cccc2S(=O)(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427874 1068393686 /nfs/dbraw/zinc/39/36/86/1068393686.db2.gz SYYPRKURFXFERE-HXUWFJFHSA-N 0 0 458.933 4.776 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(Br)cc2Cl)CC[C@H](C)c2ccccc21 ZINC001463433864 1068396269 /nfs/dbraw/zinc/39/62/69/1068396269.db2.gz CYYVGBNHXLLCPL-YEJXKQKISA-N 0 0 450.760 4.727 20 0 JJADRN COC(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001463436292 1068397226 /nfs/dbraw/zinc/39/72/26/1068397226.db2.gz XVWBLEHHMYFIQT-APWZRJJASA-N 0 0 455.498 4.887 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC001463443886 1068398902 /nfs/dbraw/zinc/39/89/02/1068398902.db2.gz YEGBCFOQKXQQBZ-CQSZACIVSA-N 0 0 451.361 4.962 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1Cl ZINC001463444080 1068399270 /nfs/dbraw/zinc/39/92/70/1068399270.db2.gz FOPKIYALZMEYIT-DEOSSOPVSA-N 0 0 454.979 4.829 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(CC)cc2)cc(Br)c1C ZINC001463444069 1068399336 /nfs/dbraw/zinc/39/93/36/1068399336.db2.gz FIKYKCMDTHDODF-AWEZNQCLSA-N 0 0 454.386 4.536 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC001463445128 1068399375 /nfs/dbraw/zinc/39/93/75/1068399375.db2.gz BKVMJAFRDMBHDD-JKSUJKDBSA-N 0 0 456.605 4.511 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)NCC2(c3ccccc3Cl)CCCCC2)c1 ZINC001463446260 1068399694 /nfs/dbraw/zinc/39/96/94/1068399694.db2.gz HGAGPSVOIPROLD-UHFFFAOYSA-N 0 0 453.963 4.755 20 0 JJADRN Cc1ccc(C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1C(F)(F)F ZINC001463450496 1068400943 /nfs/dbraw/zinc/40/09/43/1068400943.db2.gz BEYAWQYXCKPSNN-OAHLLOKOSA-N 0 0 450.461 4.781 20 0 JJADRN COc1nc(C(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC001463450329 1068400978 /nfs/dbraw/zinc/40/09/78/1068400978.db2.gz HNWGOPCEVMBSFC-IBGZPJMESA-N 0 0 453.583 4.791 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001463451790 1068401665 /nfs/dbraw/zinc/40/16/65/1068401665.db2.gz FTBLBCXYXDGGNP-NRFANRHFSA-N 0 0 452.599 4.971 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001463451795 1068401751 /nfs/dbraw/zinc/40/17/51/1068401751.db2.gz FTBLBCXYXDGGNP-OAQYLSRUSA-N 0 0 452.599 4.971 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1F ZINC001463451431 1068401758 /nfs/dbraw/zinc/40/17/58/1068401758.db2.gz DTXFCSDEZPIWSJ-UHFFFAOYSA-N 0 0 450.695 4.866 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1 ZINC001463452697 1068402920 /nfs/dbraw/zinc/40/29/20/1068402920.db2.gz QGVOMQPGVDUSPS-ZBFHGGJFSA-N 0 0 459.564 4.536 20 0 JJADRN COc1ccc2c(c1)c(C(=O)Nc1sc3c(c1C(=O)OC(C)(C)C)COCC3)c(C)n2C ZINC001463454115 1068403475 /nfs/dbraw/zinc/40/34/75/1068403475.db2.gz OZOYNQQWDBPAEB-UHFFFAOYSA-N 0 0 456.564 4.837 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(Br)c(Cl)c2)CC[C@@H](C)c2ccccc21 ZINC001463454314 1068403516 /nfs/dbraw/zinc/40/35/16/1068403516.db2.gz UAMXACCQHJOZSV-LRTDBIEQSA-N 0 0 450.760 4.727 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001463457750 1068405984 /nfs/dbraw/zinc/40/59/84/1068405984.db2.gz HZUYSADQWHYCRB-QGZVFWFLSA-N 0 0 452.345 4.725 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC[C@@H](C)c2ccccc21 ZINC001463458057 1068406017 /nfs/dbraw/zinc/40/60/17/1068406017.db2.gz ZNIDZPLYHIJBEK-CPJLOUKISA-N 0 0 452.938 4.835 20 0 JJADRN COc1cc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc(OC)c1 ZINC001463457706 1068406020 /nfs/dbraw/zinc/40/60/20/1068406020.db2.gz PZHWWGLDUBMYOJ-UHFFFAOYSA-N 0 0 455.558 4.897 20 0 JJADRN CCCCc1nc(-c2cccc(OS(=O)(=O)Cc3ccccc3Br)c2)no1 ZINC001463462923 1068407641 /nfs/dbraw/zinc/40/76/41/1068407641.db2.gz VCVPKFQMIJEJQC-UHFFFAOYSA-N 0 0 451.342 4.751 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1ccc2onc(Cl)c2c1)c1ccc(OC)c(OC)c1 ZINC001463464631 1068409026 /nfs/dbraw/zinc/40/90/26/1068409026.db2.gz DKUHOIKNWZXIEB-UHFFFAOYSA-N 0 0 452.960 4.535 20 0 JJADRN C[C@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC001463464374 1068409223 /nfs/dbraw/zinc/40/92/23/1068409223.db2.gz APXUVSQVLHFIMD-LJQANCHMSA-N 0 0 451.411 4.845 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001463465809 1068409952 /nfs/dbraw/zinc/40/99/52/1068409952.db2.gz BECZJSMGXAIYPC-INIZCTEOSA-N 0 0 450.440 4.523 20 0 JJADRN C[C@@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C[C@@H]1NC(=O)C(F)(F)F ZINC001463465937 1068409971 /nfs/dbraw/zinc/40/99/71/1068409971.db2.gz CRXRIHUITQESKE-CVEARBPZSA-N 0 0 463.525 4.595 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001463469535 1068411529 /nfs/dbraw/zinc/41/15/29/1068411529.db2.gz OJABXZIRXUQKSG-LJQANCHMSA-N 0 0 452.436 4.907 20 0 JJADRN COc1ccc(-c2nc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)cs2)cc1OC ZINC001463469432 1068411637 /nfs/dbraw/zinc/41/16/37/1068411637.db2.gz NZJPEHKXLIFXPT-HXUWFJFHSA-N 0 0 459.571 4.979 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463471912 1068413000 /nfs/dbraw/zinc/41/30/00/1068413000.db2.gz NRJUGOHUYPOMSR-IBGZPJMESA-N 0 0 451.466 4.907 20 0 JJADRN O=C(Nc1ccc2occc(=O)c2c1)c1cc(I)cc(C(F)(F)F)c1 ZINC001463475143 1068414402 /nfs/dbraw/zinc/41/44/02/1068414402.db2.gz SOEBHOSSJLSHOT-UHFFFAOYSA-N 0 0 459.161 4.669 20 0 JJADRN CC1(C)C[C@@H](NS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCO1 ZINC001463479293 1068414968 /nfs/dbraw/zinc/41/49/68/1068414968.db2.gz DYIWMNPSSSZHHR-AWEZNQCLSA-N 0 0 458.349 4.616 20 0 JJADRN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001463482519 1068415656 /nfs/dbraw/zinc/41/56/56/1068415656.db2.gz FFWQJLYQFGKXOP-GOSISDBHSA-N 0 0 453.898 4.974 20 0 JJADRN CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463481162 1068415796 /nfs/dbraw/zinc/41/57/96/1068415796.db2.gz AZALVDGCQCWWEN-XLIONFOSSA-N 0 0 452.403 4.837 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001463486757 1068416256 /nfs/dbraw/zinc/41/62/56/1068416256.db2.gz AOIVSJCRLQLRQT-UHFFFAOYSA-N 0 0 454.375 4.957 20 0 JJADRN O=S(=O)(Cc1noc2ccccc12)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001463484681 1068416364 /nfs/dbraw/zinc/41/63/64/1068416364.db2.gz PVIRVROFPCUQSI-AWEZNQCLSA-N 0 0 452.376 4.960 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c2ccccc12 ZINC001463484314 1068416416 /nfs/dbraw/zinc/41/64/16/1068416416.db2.gz XXPDOXGSLURIRD-QHCPKHFHSA-N 0 0 455.967 4.693 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCc3cc(C(C)C)ccc3C2)C1 ZINC001463486211 1068416425 /nfs/dbraw/zinc/41/64/25/1068416425.db2.gz ZGCIUJYNZFPSSV-IGKIAQTJSA-N 0 0 450.579 4.511 20 0 JJADRN COC(=O)[C@@]1(CNC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCOC1 ZINC001463485043 1068416447 /nfs/dbraw/zinc/41/64/47/1068416447.db2.gz ZJWPLVSNSDOOMH-OAQYLSRUSA-N 0 0 454.375 4.595 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C(F)(F)F)c1)c1ccccc1 ZINC001463491237 1068417668 /nfs/dbraw/zinc/41/76/68/1068417668.db2.gz LJXUVAFHYBYKMQ-QINHECLXSA-N 0 0 454.514 4.529 20 0 JJADRN CN(CC[C@H]1CCCCN1C(=O)c1cccc(OCc2cscn2)c1)C(=O)OC(C)(C)C ZINC001463496037 1068419119 /nfs/dbraw/zinc/41/91/19/1068419119.db2.gz YBKLDKLXSNPPNG-HXUWFJFHSA-N 0 0 459.612 4.974 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)c2cccc(Cl)c2O1 ZINC001463495672 1068419274 /nfs/dbraw/zinc/41/92/74/1068419274.db2.gz CXWBIDSBCGGFGG-LLVKDONJSA-N 0 0 451.850 4.614 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)cc1 ZINC001463500223 1068420441 /nfs/dbraw/zinc/42/04/41/1068420441.db2.gz UIVNSFFCMIULSD-FQEVSTJZSA-N 0 0 451.466 4.989 20 0 JJADRN C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463501698 1068420556 /nfs/dbraw/zinc/42/05/56/1068420556.db2.gz FONGRHDTDMYINV-CYBMUJFWSA-N 0 0 454.495 4.801 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001463501834 1068421046 /nfs/dbraw/zinc/42/10/46/1068421046.db2.gz GTVIOSHZMAZGDK-INIZCTEOSA-N 0 0 454.392 4.636 20 0 JJADRN CCN(C(=O)Cc1c(Cl)cccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463510764 1068423884 /nfs/dbraw/zinc/42/38/84/1068423884.db2.gz IOPAESUUHGUJON-AWEZNQCLSA-N 0 0 459.812 4.893 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3csc(COc4ccc(F)cc4)n3)CCC[C@@H]12 ZINC001463510726 1068424010 /nfs/dbraw/zinc/42/40/10/1068424010.db2.gz HYTSKJUOKKSMAX-JPYJTQIMSA-N 0 0 461.559 4.523 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N(CC)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1C ZINC001463513313 1068425246 /nfs/dbraw/zinc/42/52/46/1068425246.db2.gz STCUDVYFGBTPSE-JOCHJYFZSA-N 0 0 454.615 4.913 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)s1 ZINC001463514685 1068425297 /nfs/dbraw/zinc/42/52/97/1068425297.db2.gz QBDHBBOZIMQQRJ-UHFFFAOYSA-N 0 0 458.321 4.537 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001463515471 1068425339 /nfs/dbraw/zinc/42/53/39/1068425339.db2.gz TWOJSLLHSYWNPB-UZLBHIALSA-N 0 0 473.795 4.773 20 0 JJADRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC001463523411 1068427269 /nfs/dbraw/zinc/42/72/69/1068427269.db2.gz JBJPEJCSHOZQLP-UHFFFAOYSA-N 0 0 455.584 4.678 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c(Cl)c1Cl ZINC001463522756 1068427427 /nfs/dbraw/zinc/42/74/27/1068427427.db2.gz AVMBDIYJMIVADO-XHDPSFHLSA-N 0 0 450.771 4.806 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2OC)c2ccccc12 ZINC001463522688 1068427437 /nfs/dbraw/zinc/42/74/37/1068427437.db2.gz ASYABEMTDKXJOQ-CYBMUJFWSA-N 0 0 450.354 4.659 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001463525622 1068428043 /nfs/dbraw/zinc/42/80/43/1068428043.db2.gz YFUCSBGRRKQFPR-UHFFFAOYSA-N 0 0 453.930 4.861 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c(C)c1 ZINC001463526767 1068428813 /nfs/dbraw/zinc/42/88/13/1068428813.db2.gz DNQZONKFXBYRBM-UHFFFAOYSA-N 0 0 452.414 4.744 20 0 JJADRN CC(C)C[C@@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)c1ccc(Cl)cc1 ZINC001463528263 1068428823 /nfs/dbraw/zinc/42/88/23/1068428823.db2.gz LLNZERVJCZUGJJ-FXAWDEMLSA-N 0 0 455.986 4.692 20 0 JJADRN CC[C@H](CN(C)S(=O)(=O)CCc1c(F)cccc1F)Oc1ccc(Cl)c(Cl)c1 ZINC001463532704 1068430055 /nfs/dbraw/zinc/43/00/55/1068430055.db2.gz LGNXTNKKNGRAFJ-CYBMUJFWSA-N 0 0 452.350 4.933 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)c1ccc(Cl)cc1F ZINC001463532401 1068430129 /nfs/dbraw/zinc/43/01/29/1068430129.db2.gz DFZUGZZYFVLANX-LHSJRXKWSA-N 0 0 459.942 4.709 20 0 JJADRN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1 ZINC001463532015 1068430193 /nfs/dbraw/zinc/43/01/93/1068430193.db2.gz WTPHEBXBOYPUQR-UHFFFAOYSA-N 0 0 452.319 4.805 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463533178 1068430945 /nfs/dbraw/zinc/43/09/45/1068430945.db2.gz RNSMRXOVJBKDGL-INIZCTEOSA-N 0 0 456.530 4.660 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCCc1ccccc1OC(F)F ZINC001463536234 1068432241 /nfs/dbraw/zinc/43/22/41/1068432241.db2.gz DAXXIRCYJNERFJ-UHFFFAOYSA-N 0 0 454.720 4.533 20 0 JJADRN Cn1ccc(-c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)n[nH]2)c1 ZINC001463535952 1068432261 /nfs/dbraw/zinc/43/22/61/1068432261.db2.gz OQDKYZFERADKMZ-UHFFFAOYSA-N 0 0 453.424 4.939 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)C(F)F ZINC001463537613 1068433098 /nfs/dbraw/zinc/43/30/98/1068433098.db2.gz RCNAFKXDOISHPJ-CQSZACIVSA-N 0 0 457.861 4.672 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c(CC)c1 ZINC001463537139 1068433156 /nfs/dbraw/zinc/43/31/56/1068433156.db2.gz CRAAAMRABJVUEA-OYRHEFFESA-N 0 0 450.645 4.536 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C2CC2)cc1 ZINC001463539036 1068433765 /nfs/dbraw/zinc/43/37/65/1068433765.db2.gz VSNUNWOMNCPAFM-CTNGQTDRSA-N 0 0 450.482 4.712 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1NC(=O)c1ccccn1 ZINC001463544074 1068435981 /nfs/dbraw/zinc/43/59/81/1068435981.db2.gz JQAQNSZKAJWCPW-ZWKOTPCHSA-N 0 0 459.612 4.616 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C(F)(F)F ZINC001463545612 1068436711 /nfs/dbraw/zinc/43/67/11/1068436711.db2.gz ZDPSEOHVAPXHPA-IAGOWNOFSA-N 0 0 454.297 4.599 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001546139860 1068436718 /nfs/dbraw/zinc/43/67/18/1068436718.db2.gz QZCKVKXABFLCGV-SNAWJCMRSA-N 0 0 455.502 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccc(Cl)cc3Cl)cn2)C1 ZINC001463549094 1068438064 /nfs/dbraw/zinc/43/80/64/1068438064.db2.gz HFFCEKREPVCKOH-QGZVFWFLSA-N 0 0 453.370 4.692 20 0 JJADRN C[C@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1ccc(Br)cc1 ZINC001463551130 1068438879 /nfs/dbraw/zinc/43/88/79/1068438879.db2.gz VVEHGLQAXJNSSV-JTQLQIEISA-N 0 0 450.130 4.544 20 0 JJADRN Cc1cc(F)c(S(=O)(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)cc1F ZINC001463554306 1068439518 /nfs/dbraw/zinc/43/95/18/1068439518.db2.gz URFKARLKIXTUSQ-UHFFFAOYSA-N 0 0 451.535 4.797 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(S(=O)(=O)c1cnc(-c3ccccc3)s1)CC2 ZINC001463558377 1068441601 /nfs/dbraw/zinc/44/16/01/1068441601.db2.gz MMGGTTVVIMDNFS-UHFFFAOYSA-N 0 0 457.577 4.909 20 0 JJADRN O=S(=O)(NCC1(c2ccc(F)cc2F)CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC001463563413 1068445064 /nfs/dbraw/zinc/44/50/64/1068445064.db2.gz UKIMRZVORIOBOJ-UHFFFAOYSA-N 0 0 454.848 4.822 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC001463566522 1068447491 /nfs/dbraw/zinc/44/74/91/1068447491.db2.gz BNJMLUIPWUIDQN-JOCHJYFZSA-N 0 0 458.580 4.931 20 0 JJADRN Cc1ccc(NC(=O)c2ccc3cccnc3n2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566246 1068447564 /nfs/dbraw/zinc/44/75/64/1068447564.db2.gz YKDQFCAWHZWMHR-UHFFFAOYSA-N 0 0 452.923 4.645 20 0 JJADRN Cc1cc(C2CCN(S(=O)(=O)c3cccc4c3OCCC4)CC2)ccc1Br ZINC001463565706 1068447595 /nfs/dbraw/zinc/44/75/95/1068447595.db2.gz RVFWHHYBVPCHMI-UHFFFAOYSA-N 0 0 450.398 4.651 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC001463569212 1068449661 /nfs/dbraw/zinc/44/96/61/1068449661.db2.gz YWKLCMFKQOITLF-HSZRJFAPSA-N 0 0 452.595 4.741 20 0 JJADRN O=C(c1ccnc2cc(Cl)ccc21)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463570653 1068450411 /nfs/dbraw/zinc/45/04/11/1068450411.db2.gz PPVOPQVEWXVDPM-UHFFFAOYSA-N 0 0 450.789 4.670 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1C1CC1 ZINC001463570883 1068451177 /nfs/dbraw/zinc/45/11/77/1068451177.db2.gz RWVAYAVDAFUCFX-CQSZACIVSA-N 0 0 451.434 4.514 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cnc(Br)n3CC)cc2)cc1 ZINC001463572646 1068451915 /nfs/dbraw/zinc/45/19/15/1068451915.db2.gz OCDBVBAQUNSKSS-UHFFFAOYSA-N 0 0 457.328 4.569 20 0 JJADRN O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001463576748 1068452377 /nfs/dbraw/zinc/45/23/77/1068452377.db2.gz CPZNMZKCILXAIH-GOSISDBHSA-N 0 0 459.852 4.561 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1c[nH]nc1-c1ccccc1Cl ZINC001463573963 1068452402 /nfs/dbraw/zinc/45/24/02/1068452402.db2.gz SIJDCZLVCNNLFZ-UHFFFAOYSA-N 0 0 458.971 4.547 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Cc1ccsc1C ZINC001463579422 1068453727 /nfs/dbraw/zinc/45/37/27/1068453727.db2.gz BMPXLDYTXPZZOI-UHFFFAOYSA-N 0 0 450.969 4.701 20 0 JJADRN COc1cccc(CN(C)S(=O)(=O)c2cc(F)ccc2F)c1OCc1ccccc1F ZINC001463581861 1068455357 /nfs/dbraw/zinc/45/53/57/1068455357.db2.gz KEVGIHVWDGBPHX-UHFFFAOYSA-N 0 0 451.466 4.512 20 0 JJADRN C[C@@H]1CC(CCNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@@H](C)O1 ZINC001463582651 1068456167 /nfs/dbraw/zinc/45/61/67/1068456167.db2.gz DETJJMDLKUYXDX-HZPDHXFCSA-N 0 0 452.414 4.988 20 0 JJADRN CC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC ZINC001463582987 1068456244 /nfs/dbraw/zinc/45/62/44/1068456244.db2.gz PYSUVYIKEWIYQG-CYBMUJFWSA-N 0 0 455.374 4.633 20 0 JJADRN CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC ZINC001463584513 1068456763 /nfs/dbraw/zinc/45/67/63/1068456763.db2.gz YHBDPHDTPZPNIZ-CYBMUJFWSA-N 0 0 455.374 4.633 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC001463584366 1068456842 /nfs/dbraw/zinc/45/68/42/1068456842.db2.gz OUSAKIQITWXKAM-QGZVFWFLSA-N 0 0 458.580 4.804 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1C(C)C ZINC001463585191 1068456856 /nfs/dbraw/zinc/45/68/56/1068456856.db2.gz SCBKZTPLGIWDII-UHFFFAOYSA-N 0 0 454.596 4.533 20 0 JJADRN CN(C)C(=O)Nc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC001463588264 1068458159 /nfs/dbraw/zinc/45/81/59/1068458159.db2.gz HYXZCXDJAGYSJF-UHFFFAOYSA-N 0 0 459.955 4.704 20 0 JJADRN Cc1ccccc1CN1CCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1 ZINC001463589821 1068458919 /nfs/dbraw/zinc/45/89/19/1068458919.db2.gz DIQYPQYGUINPBE-UHFFFAOYSA-N 0 0 453.995 4.920 20 0 JJADRN Cc1nc2ccc(NC(=O)CCC(=O)c3ccc(I)cc3)cc2s1 ZINC001463591796 1068459573 /nfs/dbraw/zinc/45/95/73/1068459573.db2.gz SIUKSMJMULSPFT-UHFFFAOYSA-N 0 0 450.301 4.811 20 0 JJADRN Cc1cc(F)cc2c1CN(S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)CC2 ZINC001463597388 1068460208 /nfs/dbraw/zinc/46/02/08/1068460208.db2.gz LRJMNZBXIGWOCF-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1cccc2ccccc21 ZINC001463600088 1068460868 /nfs/dbraw/zinc/46/08/68/1068460868.db2.gz SGYMZFUENSGINA-QGZVFWFLSA-N 0 0 450.585 4.871 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)ccc2nc1Cl ZINC001463602624 1068461861 /nfs/dbraw/zinc/46/18/61/1068461861.db2.gz LPPHUIUWFNBUGI-FUHWJXTLSA-N 0 0 451.773 4.794 20 0 JJADRN O=C(COc1ccc(Cl)c2ccccc12)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463602987 1068461903 /nfs/dbraw/zinc/46/19/03/1068461903.db2.gz FVTGUHYZKRVTDI-UHFFFAOYSA-N 0 0 459.373 4.749 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463604206 1068462442 /nfs/dbraw/zinc/46/24/42/1068462442.db2.gz RYIAADKUBCKSSG-FUKZOUPISA-N 0 0 452.267 4.832 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463605881 1068463400 /nfs/dbraw/zinc/46/34/00/1068463400.db2.gz VEKOAVRLBBWLKC-UHFFFAOYSA-N 0 0 456.970 4.848 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc12 ZINC001463610729 1068465362 /nfs/dbraw/zinc/46/53/62/1068465362.db2.gz OAWDKUXGAVSZSG-KRWDZBQOSA-N 0 0 454.548 4.577 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001463612399 1068466234 /nfs/dbraw/zinc/46/62/34/1068466234.db2.gz BQZMZKHGNKHVIQ-CEXWTWQISA-N 0 0 456.391 4.776 20 0 JJADRN COc1cc(NC(=O)c2ccc3ccc(O)cc3c2O)c(OC)cc1NC(=O)c1ccccc1 ZINC001463614422 1068466919 /nfs/dbraw/zinc/46/69/19/1068466919.db2.gz XVKWHEHIJGBYOH-UHFFFAOYSA-N 0 0 458.470 4.773 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001463613847 1068467184 /nfs/dbraw/zinc/46/71/84/1068467184.db2.gz JVFQPWKDHUJISJ-ZDUSSCGKSA-N 0 0 451.317 4.815 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001463617544 1068468382 /nfs/dbraw/zinc/46/83/82/1068468382.db2.gz VXYXSPPVPGCCAF-CQSZACIVSA-N 0 0 458.340 4.575 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)cc2c1C ZINC001463621446 1068469479 /nfs/dbraw/zinc/46/94/79/1068469479.db2.gz ATMHSWBEZPWFHI-MAUKXSAKSA-N 0 0 458.605 4.657 20 0 JJADRN COCC(=O)Nc1ccc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001463622370 1068469946 /nfs/dbraw/zinc/46/99/46/1068469946.db2.gz SWECYPHLDDYTPK-NRFANRHFSA-N 0 0 455.555 4.502 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(Oc2ccccc2)c1 ZINC001463622078 1068470030 /nfs/dbraw/zinc/47/00/30/1068470030.db2.gz UMLKMVYYHRBMAM-UHFFFAOYSA-N 0 0 451.331 4.703 20 0 JJADRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 ZINC001463623198 1068470618 /nfs/dbraw/zinc/47/06/18/1068470618.db2.gz BZAANKGENSYMRJ-AWEZNQCLSA-N 0 0 458.923 4.612 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1(c2ccccc2)CCCCCC1 ZINC001463623133 1068470641 /nfs/dbraw/zinc/47/06/41/1068470641.db2.gz DKAFHGWEVCGOMW-UHFFFAOYSA-N 0 0 452.576 4.989 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1OC1CCCCC1 ZINC001463623048 1068470753 /nfs/dbraw/zinc/47/07/53/1068470753.db2.gz CKYYSBODZQTMPZ-UHFFFAOYSA-N 0 0 454.548 4.722 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Br)cn1 ZINC001463626304 1068472935 /nfs/dbraw/zinc/47/29/35/1068472935.db2.gz RTFIKBIYUKARQH-NSHDSACASA-N 0 0 454.415 4.791 20 0 JJADRN CN(C)c1cccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC001463629057 1068475010 /nfs/dbraw/zinc/47/50/10/1068475010.db2.gz ZSDAVAABRBQKAZ-UHFFFAOYSA-N 0 0 457.983 4.778 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C3)cc1 ZINC001463632023 1068476377 /nfs/dbraw/zinc/47/63/77/1068476377.db2.gz JGVVYQHVYPOIMX-UHFFFAOYSA-N 0 0 456.782 4.888 20 0 JJADRN COC(CCCC(C)(C)CNS(=O)(=O)c1cc(Cl)c(Br)cc1C)OC ZINC001463634299 1068476738 /nfs/dbraw/zinc/47/67/38/1068476738.db2.gz KOWAQIDDAILECH-UHFFFAOYSA-N 0 0 456.830 4.505 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)F)c1 ZINC001463633929 1068477050 /nfs/dbraw/zinc/47/70/50/1068477050.db2.gz OIQJJTNKURRRCA-UHFFFAOYSA-N 0 0 454.539 4.730 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c1Cl ZINC001463638032 1068477661 /nfs/dbraw/zinc/47/76/61/1068477661.db2.gz PONFGPYSUAZTMI-HNNXBMFYSA-N 0 0 450.391 4.749 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)c1Cl ZINC001463638045 1068477667 /nfs/dbraw/zinc/47/76/67/1068477667.db2.gz PONFGPYSUAZTMI-OAHLLOKOSA-N 0 0 450.391 4.749 20 0 JJADRN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001463640020 1068478386 /nfs/dbraw/zinc/47/83/86/1068478386.db2.gz LEWGZLDHVHOYQG-MRXNPFEDSA-N 0 0 455.424 4.770 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCc2c(cccc2C(C)C)C1 ZINC001463642695 1068478910 /nfs/dbraw/zinc/47/89/10/1068478910.db2.gz LCJAMNVBWUJKOP-UHFFFAOYSA-N 0 0 458.805 4.982 20 0 JJADRN CC1(C)COc2c(S(=O)(=O)N3CCCCC[C@H]3c3ccc(C(F)(F)F)cc3)cnn2C1 ZINC001463643413 1068478966 /nfs/dbraw/zinc/47/89/66/1068478966.db2.gz WMHAVUCSSWQLAO-KRWDZBQOSA-N 0 0 457.518 4.627 20 0 JJADRN O=S(=O)(Oc1ccc([C@H]2CCOC2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC001463646672 1068480107 /nfs/dbraw/zinc/48/01/07/1068480107.db2.gz BCFYJTRKOIOVPV-LBPRGKRZSA-N 0 0 451.260 4.740 20 0 JJADRN CC(C)(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC001463652369 1068481442 /nfs/dbraw/zinc/48/14/42/1068481442.db2.gz FSOYDLGIOZVKOB-UHFFFAOYSA-N 0 0 459.955 4.965 20 0 JJADRN CC(C)(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001463651548 1068481542 /nfs/dbraw/zinc/48/15/42/1068481542.db2.gz OVIUYWDATCNROU-UHFFFAOYSA-N 0 0 457.392 4.740 20 0 JJADRN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc1)CO2 ZINC001463654496 1068483134 /nfs/dbraw/zinc/48/31/34/1068483134.db2.gz RYMAEHKZRKJFLB-UHFFFAOYSA-N 0 0 454.935 4.864 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001463656092 1068483681 /nfs/dbraw/zinc/48/36/81/1068483681.db2.gz HIAWCESVIHTSNT-LJQANCHMSA-N 0 0 455.407 4.666 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001463656084 1068483694 /nfs/dbraw/zinc/48/36/94/1068483694.db2.gz HIAWCESVIHTSNT-IBGZPJMESA-N 0 0 455.407 4.666 20 0 JJADRN CC(C)CCNC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463655564 1068483764 /nfs/dbraw/zinc/48/37/64/1068483764.db2.gz XBCNOCRGMNDDKN-DEOSSOPVSA-N 0 0 452.595 4.871 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546140672 1068484455 /nfs/dbraw/zinc/48/44/55/1068484455.db2.gz LCTGZCNZTYNKJT-WIYYLYMNSA-N 0 0 460.644 4.701 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC001463657581 1068485056 /nfs/dbraw/zinc/48/50/56/1068485056.db2.gz FPGGCGSKOFASFM-UHFFFAOYSA-N 0 0 458.314 4.668 20 0 JJADRN O=C1[C@@H](NS(=O)(=O)c2csc3ccccc32)CCCN1c1ccc(Cl)cc1Cl ZINC001463660676 1068485647 /nfs/dbraw/zinc/48/56/47/1068485647.db2.gz RPUPSXBVALRJBE-HNNXBMFYSA-N 0 0 455.388 4.682 20 0 JJADRN O=C1[C@H](NS(=O)(=O)c2csc3ccccc32)CCCN1c1ccc(Cl)cc1Cl ZINC001463660679 1068485671 /nfs/dbraw/zinc/48/56/71/1068485671.db2.gz RPUPSXBVALRJBE-OAHLLOKOSA-N 0 0 455.388 4.682 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CC3(CCCC3)c3cccc(Cl)c32)c1)C(F)(F)F ZINC001463662007 1068486259 /nfs/dbraw/zinc/48/62/59/1068486259.db2.gz VNFYNORACREGMV-UHFFFAOYSA-N 0 0 458.889 4.862 20 0 JJADRN CCC1(Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(Br)s2)CCC1 ZINC001546140726 1068487670 /nfs/dbraw/zinc/48/76/70/1068487670.db2.gz MEORVIRZGIEAKS-UHFFFAOYSA-N 0 0 453.450 4.949 20 0 JJADRN O=S(=O)(NCCn1ccc2cc(Cl)ccc21)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463676171 1068490556 /nfs/dbraw/zinc/49/05/56/1068490556.db2.gz LDWJOICBDPYEAC-UHFFFAOYSA-N 0 0 458.942 4.991 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](CCO)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001463683559 1068492313 /nfs/dbraw/zinc/49/23/13/1068492313.db2.gz OUHIFWCQFARJID-SFHVURJKSA-N 0 0 457.404 4.827 20 0 JJADRN COc1cccc(C2(NS(=O)(=O)c3ccc(Br)c(Cl)c3Cl)CC2)c1 ZINC001463682136 1068492351 /nfs/dbraw/zinc/49/23/51/1068492351.db2.gz SFVAGCYWFLVBFP-UHFFFAOYSA-N 0 0 451.169 4.732 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CCOCC1 ZINC001546140867 1068492414 /nfs/dbraw/zinc/49/24/14/1068492414.db2.gz PUARCJHMXYRCFJ-IBGZPJMESA-N 0 0 452.521 4.780 20 0 JJADRN Cc1c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)[nH]nc1C(F)(F)F ZINC001463685662 1068493471 /nfs/dbraw/zinc/49/34/71/1068493471.db2.gz NFJMSDAICAIECK-SFHVURJKSA-N 0 0 455.484 4.846 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC001463686782 1068493548 /nfs/dbraw/zinc/49/35/48/1068493548.db2.gz DGSNCRNWNFYYPV-OAQYLSRUSA-N 0 0 456.391 4.913 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)[C@@]3(F)CN(C(=O)OC(C)(C)C)CC34COC4)cc2)c1 ZINC001463686676 1068493693 /nfs/dbraw/zinc/49/36/93/1068493693.db2.gz SQSDVQIMPIAOLT-VWLOTQADSA-N 0 0 456.514 4.701 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@](CC)(C(=O)OC)c2ccc(Cl)cc2)cc1C(C)C ZINC001463688630 1068494865 /nfs/dbraw/zinc/49/48/65/1068494865.db2.gz IPFUBDCOPLDRGC-JOCHJYFZSA-N 0 0 453.988 4.619 20 0 JJADRN O=S(=O)(c1cc(F)c(Br)cc1F)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC001463693656 1068496125 /nfs/dbraw/zinc/49/61/25/1068496125.db2.gz YKCWZQHYGKHMEX-UHFFFAOYSA-N 0 0 456.230 4.534 20 0 JJADRN CCOc1ccc(CCNC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1OCC ZINC001463694747 1068496755 /nfs/dbraw/zinc/49/67/55/1068496755.db2.gz JJZCABISAMRVBL-OAQYLSRUSA-N 0 0 451.350 4.643 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCCCc2ccc(Cl)s2)cc1Br ZINC001463697137 1068497092 /nfs/dbraw/zinc/49/70/92/1068497092.db2.gz XWBXYHJBSFFCDI-UHFFFAOYSA-N 0 0 452.823 4.864 20 0 JJADRN O=C(CN1CC[C@H](c2ccccc2)NC1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC001463698763 1068497890 /nfs/dbraw/zinc/49/78/90/1068497890.db2.gz RCLYYIXFUYCWBJ-MRXNPFEDSA-N 0 0 456.262 4.563 20 0 JJADRN COc1ccc(NC(=O)/C(C)=C/c2ccncc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463700094 1068498585 /nfs/dbraw/zinc/49/85/85/1068498585.db2.gz PAYDZSAZEBPKOZ-FYWRMAATSA-N 0 0 457.939 4.586 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)cc(Cl)c2O1 ZINC001463700281 1068499225 /nfs/dbraw/zinc/49/92/25/1068499225.db2.gz MBGNUUNOOFSNMZ-NSHDSACASA-N 0 0 455.388 4.919 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C(=O)c1cccc(F)c1 ZINC001463701689 1068499800 /nfs/dbraw/zinc/49/98/00/1068499800.db2.gz UNCDTOBZNFGBQV-INIZCTEOSA-N 0 0 453.539 4.633 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001463701926 1068499887 /nfs/dbraw/zinc/49/98/87/1068499887.db2.gz WGXOVWLFISRZEP-NJYVYQBISA-N 0 0 457.489 4.788 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001463706471 1068500841 /nfs/dbraw/zinc/50/08/41/1068500841.db2.gz BURXDNZRUWSOIH-CVEARBPZSA-N 0 0 456.377 4.849 20 0 JJADRN O=C(c1cc(-c2c(F)cccc2F)no1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001463709548 1068501491 /nfs/dbraw/zinc/50/14/91/1068501491.db2.gz QRHZZPOGFQBUHU-UHFFFAOYSA-N 0 0 451.395 4.597 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001463708240 1068501522 /nfs/dbraw/zinc/50/15/22/1068501522.db2.gz NKCVGOKTNHLLMS-UHFFFAOYSA-N 0 0 454.640 4.513 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC001463714465 1068502793 /nfs/dbraw/zinc/50/27/93/1068502793.db2.gz ZKSSYEPADSGGSO-UHFFFAOYSA-N 0 0 452.624 4.976 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)c1 ZINC001463714777 1068503422 /nfs/dbraw/zinc/50/34/22/1068503422.db2.gz CLXJYZQRYQBKCQ-SKDRFNHKSA-N 0 0 454.230 4.651 20 0 JJADRN COc1ccc(C[C@H](NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC001463716740 1068503873 /nfs/dbraw/zinc/50/38/73/1068503873.db2.gz DZKJCPOCQXCPNU-XZOQPEGZSA-N 0 0 459.464 4.856 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC001463725756 1068505314 /nfs/dbraw/zinc/50/53/14/1068505314.db2.gz WBZCWKRQXKZQHQ-UHFFFAOYSA-N 0 0 454.368 4.921 20 0 JJADRN CCn1c(CNC(=O)c2cc(Nc3nccc(C(F)(F)F)n3)ccc2C)nc2ccccc21 ZINC001463727210 1068505720 /nfs/dbraw/zinc/50/57/20/1068505720.db2.gz ZKOHBQGYVAQELU-UHFFFAOYSA-N 0 0 454.456 4.847 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001463729665 1068506289 /nfs/dbraw/zinc/50/62/89/1068506289.db2.gz ZAMSPYFZTGOULW-KRWDZBQOSA-N 0 0 450.732 4.951 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Br)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001463731818 1068506749 /nfs/dbraw/zinc/50/67/49/1068506749.db2.gz STJRVHCSNMNZOR-INIZCTEOSA-N 0 0 454.777 4.895 20 0 JJADRN CC(C)Oc1ccc(CCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001463730787 1068506977 /nfs/dbraw/zinc/50/69/77/1068506977.db2.gz FZKFSKLKXSOHJD-UHFFFAOYSA-N 0 0 452.595 4.782 20 0 JJADRN COc1ccccc1C(=O)C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001463734517 1068507477 /nfs/dbraw/zinc/50/74/77/1068507477.db2.gz FMQINJDLZJMPCW-UHFFFAOYSA-N 0 0 454.979 4.604 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC001463738327 1068507878 /nfs/dbraw/zinc/50/78/78/1068507878.db2.gz VFNHFWQVVNMMCT-AWEZNQCLSA-N 0 0 452.267 4.881 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001463738328 1068507920 /nfs/dbraw/zinc/50/79/20/1068507920.db2.gz VFNHFWQVVNMMCT-CQSZACIVSA-N 0 0 452.267 4.881 20 0 JJADRN NC(=O)c1cccc(CN(C2CC2)S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC001463739191 1068508623 /nfs/dbraw/zinc/50/86/23/1068508623.db2.gz YYCSEPGVZWFSFI-UHFFFAOYSA-N 0 0 456.951 4.585 20 0 JJADRN CCCC[C@@H](C)N(CCCC)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC001463747352 1068511380 /nfs/dbraw/zinc/51/13/80/1068511380.db2.gz MWTJQGDCVFSYNE-CYBMUJFWSA-N 0 0 452.386 4.744 20 0 JJADRN CCCC[C@H](C)N(CCCC)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC001463747355 1068511531 /nfs/dbraw/zinc/51/15/31/1068511531.db2.gz MWTJQGDCVFSYNE-ZDUSSCGKSA-N 0 0 452.386 4.744 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC001463748616 1068511923 /nfs/dbraw/zinc/51/19/23/1068511923.db2.gz HDYCLNBZOZITLY-CYBMUJFWSA-N 0 0 459.568 4.769 20 0 JJADRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c1Br ZINC001463754773 1068513474 /nfs/dbraw/zinc/51/34/74/1068513474.db2.gz YRHOQMJTOTYTOS-VIFPVBQESA-N 0 0 457.699 4.864 20 0 JJADRN CCc1nc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)sc1C ZINC001463754055 1068513531 /nfs/dbraw/zinc/51/35/31/1068513531.db2.gz PSNQJFDNACWDOF-INIZCTEOSA-N 0 0 454.365 4.549 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463757568 1068514711 /nfs/dbraw/zinc/51/47/11/1068514711.db2.gz DMGVOQIWMICQCB-YVEFUNNKSA-N 0 0 453.404 4.875 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1OC(C)C ZINC001463759265 1068514979 /nfs/dbraw/zinc/51/49/79/1068514979.db2.gz JNJZKCBTBNFCHM-HRAATJIYSA-N 0 0 457.514 4.952 20 0 JJADRN C[C@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001463759925 1068515283 /nfs/dbraw/zinc/51/52/83/1068515283.db2.gz CBXMIQMZDBUIMS-MRXNPFEDSA-N 0 0 456.951 4.623 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC001463761116 1068516072 /nfs/dbraw/zinc/51/60/72/1068516072.db2.gz JZBCVEQYRMJQRI-UHFFFAOYSA-N 0 0 457.567 4.836 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCOC1CCCCC1 ZINC001463765170 1068517002 /nfs/dbraw/zinc/51/70/02/1068517002.db2.gz ODPWSXWXNSLIAE-LJQANCHMSA-N 0 0 450.579 4.769 20 0 JJADRN Cc1ccc2c(c1)CN(S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc3ccccc3)C1)C(C)(C)C2 ZINC001463766120 1068517147 /nfs/dbraw/zinc/51/71/47/1068517147.db2.gz UCTBQBBWHSZOMT-QPPBQGQZSA-N 0 0 470.635 4.557 20 0 JJADRN Cc1cc(N2CCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)nc(C(C)C)n1 ZINC001463769579 1068518805 /nfs/dbraw/zinc/51/88/05/1068518805.db2.gz AVMFWUJTBMAPJK-UHFFFAOYSA-N 0 0 458.006 4.509 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 ZINC001463769883 1068518824 /nfs/dbraw/zinc/51/88/24/1068518824.db2.gz XINWHFGNYFIDQR-UHFFFAOYSA-N 0 0 456.995 4.738 20 0 JJADRN C[C@@H](OCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001463778535 1068522043 /nfs/dbraw/zinc/52/20/43/1068522043.db2.gz WMRHNOZSOFWVJW-XXBNENTESA-N 0 0 454.636 4.783 20 0 JJADRN O=S(=O)(c1occc1Br)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001463781524 1068522598 /nfs/dbraw/zinc/52/25/98/1068522598.db2.gz DBPRLLOGSVWKFI-UHFFFAOYSA-N 0 0 454.264 4.509 20 0 JJADRN O=C1CCc2cc(S(=O)(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)c(F)cc2N1 ZINC001463780945 1068522683 /nfs/dbraw/zinc/52/26/83/1068522683.db2.gz BQZMEPFCJOEWKC-QGZVFWFLSA-N 0 0 450.963 4.540 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001463783842 1068523045 /nfs/dbraw/zinc/52/30/45/1068523045.db2.gz OXRWXEBIZSYKFO-VXKWHMMOSA-N 0 0 469.525 4.797 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001463784989 1068523120 /nfs/dbraw/zinc/52/31/20/1068523120.db2.gz LNVJKLHBSQEAMQ-UHFFFAOYSA-N 0 0 450.988 4.815 20 0 JJADRN CCCCN([C@@H]1CCC[C@H](C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463787253 1068523705 /nfs/dbraw/zinc/52/37/05/1068523705.db2.gz UXGMVYNYGLNJEW-MDNUFGMLSA-N 0 0 450.645 4.798 20 0 JJADRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001463785668 1068523801 /nfs/dbraw/zinc/52/38/01/1068523801.db2.gz SIJMANLCURQGMB-JOCHJYFZSA-N 0 0 452.551 4.750 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc(OC2CCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC001463788841 1068524127 /nfs/dbraw/zinc/52/41/27/1068524127.db2.gz FRCYVZJRROSTOI-UHFFFAOYSA-N 0 0 457.379 4.622 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)CC2)cc1 ZINC001463788687 1068524261 /nfs/dbraw/zinc/52/42/61/1068524261.db2.gz DESSGWDZTOIQFB-OAQYLSRUSA-N 0 0 457.514 4.547 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c1 ZINC001463787390 1068524275 /nfs/dbraw/zinc/52/42/75/1068524275.db2.gz VCVYQVLVTZBQND-SFHVURJKSA-N 0 0 456.391 4.956 20 0 JJADRN CC(C)c1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CC2)cc1 ZINC001463790093 1068524633 /nfs/dbraw/zinc/52/46/33/1068524633.db2.gz GJZSTUXYLCKSIW-UHFFFAOYSA-N 0 0 458.958 4.571 20 0 JJADRN O=S(=O)(NCCOc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Cl ZINC001463791568 1068525260 /nfs/dbraw/zinc/52/52/60/1068525260.db2.gz LRLIOSDTDPCSQL-UHFFFAOYSA-N 0 0 459.576 4.767 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463796959 1068527402 /nfs/dbraw/zinc/52/74/02/1068527402.db2.gz XRSFTZZYVUWEQF-SZMVWBNQSA-N 0 0 454.817 4.825 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C(C)(C)c1cccc2ccccc21 ZINC001463798983 1068528427 /nfs/dbraw/zinc/52/84/27/1068528427.db2.gz KZOKZNZVVLFFLA-UHFFFAOYSA-N 0 0 459.546 4.832 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC001463800902 1068529671 /nfs/dbraw/zinc/52/96/71/1068529671.db2.gz UGONKHWQQFGTIK-AREMUKBSSA-N 0 0 451.567 4.606 20 0 JJADRN C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802687 1068530760 /nfs/dbraw/zinc/53/07/60/1068530760.db2.gz ZJFRRRADYNMMKH-BXKMTCNYSA-N 0 0 456.558 4.502 20 0 JJADRN COc1ccc(F)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1OC ZINC001463802634 1068530841 /nfs/dbraw/zinc/53/08/41/1068530841.db2.gz YARSIUUSRPNGKR-UHFFFAOYSA-N 0 0 458.530 4.669 20 0 JJADRN COC(=O)c1ccccc1CS(=O)(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC001463804538 1068531251 /nfs/dbraw/zinc/53/12/51/1068531251.db2.gz LMZZGRNUVWOYNJ-LJQANCHMSA-N 0 0 457.514 4.569 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)c1ccc(Br)cc1F ZINC001463804714 1068531417 /nfs/dbraw/zinc/53/14/17/1068531417.db2.gz CUJJFXVQZCNRPD-ZDUSSCGKSA-N 0 0 451.361 4.847 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c(=O)[nH]1 ZINC001463807046 1068531732 /nfs/dbraw/zinc/53/17/32/1068531732.db2.gz IVDKIMFIVGPDAI-UHFFFAOYSA-N 0 0 451.573 4.929 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)Cc2ccccc2O1 ZINC001463806572 1068531819 /nfs/dbraw/zinc/53/18/19/1068531819.db2.gz ZKLVKYGWNOSDTP-JTQLQIEISA-N 0 0 451.169 4.728 20 0 JJADRN O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463807003 1068531827 /nfs/dbraw/zinc/53/18/27/1068531827.db2.gz OYPLLYNGLSJXQM-UHFFFAOYSA-N 0 0 457.283 4.618 20 0 JJADRN O=C(CCCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC001463809105 1068532399 /nfs/dbraw/zinc/53/23/99/1068532399.db2.gz UAXDOUKWHXWWRH-UHFFFAOYSA-N 0 0 450.476 4.932 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001463809270 1068532782 /nfs/dbraw/zinc/53/27/82/1068532782.db2.gz JEELCFUUVLUFOR-XQBPLPMBSA-N 0 0 456.608 4.975 20 0 JJADRN CCc1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cnn1-c1ccccc1C ZINC001463810963 1068533521 /nfs/dbraw/zinc/53/35/21/1068533521.db2.gz XDPSGHRGQGEQFA-UHFFFAOYSA-N 0 0 456.512 4.720 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1C ZINC001463810720 1068533550 /nfs/dbraw/zinc/53/35/50/1068533550.db2.gz VVABGMHQLYFJJB-FUHWJXTLSA-N 0 0 458.443 4.570 20 0 JJADRN CN(CCNC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 ZINC001463816910 1068534582 /nfs/dbraw/zinc/53/45/82/1068534582.db2.gz JWJIWEWOVHUMII-UHFFFAOYSA-N 0 0 450.364 4.647 20 0 JJADRN Cc1ccc(Cl)cc1S(=O)(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC001463817293 1068534626 /nfs/dbraw/zinc/53/46/26/1068534626.db2.gz HAWVOOKDOWOGHH-UHFFFAOYSA-N 0 0 450.988 4.815 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001463817886 1068535120 /nfs/dbraw/zinc/53/51/20/1068535120.db2.gz IZMVZPWFPPJBOY-KRWDZBQOSA-N 0 0 454.995 4.948 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001463823600 1068536167 /nfs/dbraw/zinc/53/61/67/1068536167.db2.gz ZIZOCLIFKGNKCM-OAQYLSRUSA-N 0 0 450.645 4.895 20 0 JJADRN CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2c3ncsc3ccc2Cl)N(C)C)cc1 ZINC001463824036 1068536229 /nfs/dbraw/zinc/53/62/29/1068536229.db2.gz ODSJOLPVBURODB-SFHVURJKSA-N 0 0 452.045 4.729 20 0 JJADRN CC(C)c1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)nn1-c1cccc(F)c1 ZINC001463825424 1068537137 /nfs/dbraw/zinc/53/71/37/1068537137.db2.gz GBAWMCUGNDEHPL-OAQYLSRUSA-N 0 0 455.965 4.750 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(C)c1C ZINC001463825941 1068537792 /nfs/dbraw/zinc/53/77/92/1068537792.db2.gz MLNIVHRJKAOFAK-MEMLXQNLSA-N 0 0 452.661 4.838 20 0 JJADRN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccc2ccccc21 ZINC001463826124 1068538039 /nfs/dbraw/zinc/53/80/39/1068538039.db2.gz XLNFAKAQBCVIDV-GOSISDBHSA-N 0 0 455.429 4.580 20 0 JJADRN CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C1 ZINC001463826587 1068538233 /nfs/dbraw/zinc/53/82/33/1068538233.db2.gz URJODXWLAZFNHW-AEFFLSMTSA-N 0 0 450.988 4.983 20 0 JJADRN Cc1cccc2c1O[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c1)C2 ZINC001463826551 1068538300 /nfs/dbraw/zinc/53/83/00/1068538300.db2.gz ULRYMECITXLABJ-FQEVSTJZSA-N 0 0 456.951 4.700 20 0 JJADRN CC1(C)C[C@@H](C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC001463834825 1068541083 /nfs/dbraw/zinc/54/10/83/1068541083.db2.gz JSIHMCUZGMONOH-LJQANCHMSA-N 0 0 454.523 4.910 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2csc(Br)c2)CCOCC1 ZINC001546142122 1068542372 /nfs/dbraw/zinc/54/23/72/1068542372.db2.gz CYBKVTZEPQKEHF-KRWDZBQOSA-N 0 0 483.476 4.839 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CCCC1 ZINC001546142129 1068543170 /nfs/dbraw/zinc/54/31/70/1068543170.db2.gz DCWBNOPQLSSNSH-SFTDATJTSA-N 0 0 459.679 4.521 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3nc(C4CC4)cs3)cc2)c1C(F)(F)F ZINC001463841602 1068544815 /nfs/dbraw/zinc/54/48/15/1068544815.db2.gz USTIIRZENYFKBC-UHFFFAOYSA-N 0 0 450.442 4.654 20 0 JJADRN O=S(=O)(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463847584 1068546952 /nfs/dbraw/zinc/54/69/52/1068546952.db2.gz VDFDTWVYGNERBP-TZMCWYRMSA-N 0 0 470.332 4.728 20 0 JJADRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Oc2ccccc2)c1 ZINC001463863935 1068550358 /nfs/dbraw/zinc/55/03/58/1068550358.db2.gz PALLHPGSXHVTEO-UHFFFAOYSA-N 0 0 450.560 4.584 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1C(C)C ZINC001463868180 1068550823 /nfs/dbraw/zinc/55/08/23/1068550823.db2.gz CMFZAMZJPLXEEC-HXUWFJFHSA-N 0 0 450.645 4.545 20 0 JJADRN CC(C)OCCOC1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC001463868306 1068550863 /nfs/dbraw/zinc/55/08/63/1068550863.db2.gz TXUKZDHKYFMJIL-UHFFFAOYSA-N 0 0 453.988 4.727 20 0 JJADRN O=C(NCc1ccc(Cl)s1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001463866683 1068550988 /nfs/dbraw/zinc/55/09/88/1068550988.db2.gz ZYKPXRTWRYQHHQ-HNNXBMFYSA-N 0 0 459.768 4.614 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N2CCCc3cc(F)cc(Cl)c32)c1F ZINC001463865563 1068551014 /nfs/dbraw/zinc/55/10/14/1068551014.db2.gz LDFJZTDZSKFRTE-UHFFFAOYSA-N 0 0 452.704 4.531 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001463873164 1068552392 /nfs/dbraw/zinc/55/23/92/1068552392.db2.gz DIKQJGHDEXWGCP-SLWXAUBPSA-N 0 0 452.542 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC001463872839 1068552535 /nfs/dbraw/zinc/55/25/35/1068552535.db2.gz GSZJMQYUEGCYST-CPJSRVTESA-N 0 0 458.530 4.806 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC001463882454 1068555058 /nfs/dbraw/zinc/55/50/58/1068555058.db2.gz QFANTKIEPHPNLB-UHFFFAOYSA-N 0 0 450.438 4.681 20 0 JJADRN O=S(=O)(NCC1(c2c(F)cccc2F)CCC1)c1ccc(Cl)cc1Br ZINC001463883326 1068555146 /nfs/dbraw/zinc/55/51/46/1068555146.db2.gz QCMHZNDBZHNCLU-UHFFFAOYSA-N 0 0 450.732 4.781 20 0 JJADRN COc1cc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C(=O)N(C)C)cc1OC ZINC001463885419 1068555555 /nfs/dbraw/zinc/55/55/55/1068555555.db2.gz AJXXZQJCGXESQS-UHFFFAOYSA-N 0 0 456.583 4.959 20 0 JJADRN COc1cc(NC(=O)c2ccc3cc(Br)ccc3c2)c(C(=O)N(C)C)cc1OC ZINC001463887971 1068555567 /nfs/dbraw/zinc/55/55/67/1068555567.db2.gz GUBZSUSJXOMRNW-UHFFFAOYSA-N 0 0 457.324 4.574 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC001463886654 1068555597 /nfs/dbraw/zinc/55/55/97/1068555597.db2.gz MFZAOWKDEYAFSH-SFHVURJKSA-N 0 0 454.011 4.787 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC001463888077 1068556164 /nfs/dbraw/zinc/55/61/64/1068556164.db2.gz HCMTZGSPKAQQDY-QFIPXVFZSA-N 0 0 454.596 4.545 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1ccc(F)cc1 ZINC001463891802 1068557284 /nfs/dbraw/zinc/55/72/84/1068557284.db2.gz WGRBKCNYNYYFNC-IBGZPJMESA-N 0 0 457.937 4.652 20 0 JJADRN CC(C)(C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(OC(F)(F)F)cc1 ZINC001463895630 1068558396 /nfs/dbraw/zinc/55/83/96/1068558396.db2.gz FCAIWMMDZIRJDA-MRXNPFEDSA-N 0 0 450.505 4.587 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3Sc3ccccc3)cc12 ZINC001463896964 1068558630 /nfs/dbraw/zinc/55/86/30/1068558630.db2.gz QQFSTYUSKAXGPT-HNNXBMFYSA-N 0 0 450.589 4.851 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001463897270 1068558803 /nfs/dbraw/zinc/55/88/03/1068558803.db2.gz MYMGZLXWXGNJQB-LBPRGKRZSA-N 0 0 455.759 4.579 20 0 JJADRN O=S(=O)(Oc1ccc(Br)c(C(F)(F)F)c1)c1cnc2[nH]ccc(Cl)c1-2 ZINC001463898637 1068559323 /nfs/dbraw/zinc/55/93/23/1068559323.db2.gz PNYUSXZXPJZWAQ-UHFFFAOYSA-N 0 0 455.639 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC001463902816 1068560589 /nfs/dbraw/zinc/56/05/89/1068560589.db2.gz IRRGRMXIGMKKQG-FQEVSTJZSA-N 0 0 451.567 4.592 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001463905887 1068561125 /nfs/dbraw/zinc/56/11/25/1068561125.db2.gz UDIAKZZVVMDLRD-UHFFFAOYSA-N 0 0 458.349 4.936 20 0 JJADRN CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001463906555 1068561174 /nfs/dbraw/zinc/56/11/74/1068561174.db2.gz RDIVGXXPENNLAY-UHFFFAOYSA-N 0 0 451.567 4.551 20 0 JJADRN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1snc(Cl)c1Cl ZINC001463912031 1068563043 /nfs/dbraw/zinc/56/30/43/1068563043.db2.gz HKRZCFHBLDZFAR-UHFFFAOYSA-N 0 0 450.303 4.726 20 0 JJADRN CCCc1ccc([C@H](NC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001463912428 1068563575 /nfs/dbraw/zinc/56/35/75/1068563575.db2.gz PHIWAJWITNYAGI-NQIIRXRSSA-N 0 0 457.596 4.576 20 0 JJADRN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1nc(Cl)sc1Cl ZINC001463915664 1068564155 /nfs/dbraw/zinc/56/41/55/1068564155.db2.gz RXFQNZZLISRDDI-UHFFFAOYSA-N 0 0 450.303 4.726 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1Cl)Oc1ccccc1Cc1ccncc1 ZINC001463914421 1068564220 /nfs/dbraw/zinc/56/42/20/1068564220.db2.gz WXKVAEQRFPBIOC-UHFFFAOYSA-N 0 0 452.757 4.997 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)c1ccccc1 ZINC001463916855 1068564916 /nfs/dbraw/zinc/56/49/16/1068564916.db2.gz GQYVIVIAKZJKHI-IFMALSPDSA-N 0 0 451.567 4.736 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2S(=O)(=O)Cc1cc(C)ccc1Br ZINC001463919723 1068566147 /nfs/dbraw/zinc/56/61/47/1068566147.db2.gz JABDXIVGAIYPBY-QGZVFWFLSA-N 0 0 452.414 4.931 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c1 ZINC001463919386 1068566187 /nfs/dbraw/zinc/56/61/87/1068566187.db2.gz HRHXNOUPWKDVEK-INIZCTEOSA-N 0 0 458.805 4.897 20 0 JJADRN O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)c1ccc2c(c1)CCCO2 ZINC001463923972 1068566529 /nfs/dbraw/zinc/56/65/29/1068566529.db2.gz IBXTYVDVBXFSDJ-UHFFFAOYSA-N 0 0 450.398 4.912 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001463923748 1068566765 /nfs/dbraw/zinc/56/67/65/1068566765.db2.gz IDMPWVRPMRCPMQ-JYFHCDHNSA-N 0 0 455.558 4.773 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@]3(C)Cc3ccc(F)cc3)cc2c1C ZINC001463927295 1068567613 /nfs/dbraw/zinc/56/76/13/1068567613.db2.gz XSELVCBYNPGAGG-XMMPIXPASA-N 0 0 459.539 4.843 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1O ZINC001463926636 1068567774 /nfs/dbraw/zinc/56/77/74/1068567774.db2.gz YNDUEDPPHFMOFD-XMYAASDLSA-N 0 0 451.544 4.667 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@H]1C(=O)OC(C)(C)C ZINC001463929616 1068568581 /nfs/dbraw/zinc/56/85/81/1068568581.db2.gz GMZVLBSSVWUDGM-KBXCAEBGSA-N 0 0 452.642 4.725 20 0 JJADRN CCC(CC)(CNS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC001463930473 1068568639 /nfs/dbraw/zinc/56/86/39/1068568639.db2.gz JGRDPFXUFQLGMD-UHFFFAOYSA-N 0 0 451.551 4.706 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OC(C)(C)C ZINC001463929694 1068568717 /nfs/dbraw/zinc/56/87/17/1068568717.db2.gz GGJHSMXIFVSTNC-UHFFFAOYSA-N 0 0 454.814 4.529 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(C)CC2)CCOCC1 ZINC001546142800 1068569544 /nfs/dbraw/zinc/56/95/44/1068569544.db2.gz RFVUCZDAZZBOLW-UHFFFAOYSA-N 0 0 475.678 4.836 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC001463934522 1068570047 /nfs/dbraw/zinc/57/00/47/1068570047.db2.gz XXMJWBGDDWWTMA-UHFFFAOYSA-N 0 0 457.777 4.806 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCCSc1ccc(F)cc1 ZINC001463938471 1068570510 /nfs/dbraw/zinc/57/05/10/1068570510.db2.gz KEVOCGQBXOZEPL-QHCPKHFHSA-N 0 0 452.551 4.691 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001463937954 1068570637 /nfs/dbraw/zinc/57/06/37/1068570637.db2.gz XRNOIEVIXVHULI-LJQANCHMSA-N 0 0 450.564 4.980 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001463940168 1068571087 /nfs/dbraw/zinc/57/10/87/1068571087.db2.gz CVMZFPWXCBLGIR-UHFFFAOYSA-N 0 0 451.445 4.597 20 0 JJADRN COc1ccc(CN(C)C(=O)Cc2sc(SC(F)(F)F)nc2C)cc1OC(F)F ZINC001463938868 1068571219 /nfs/dbraw/zinc/57/12/19/1068571219.db2.gz FDQVQRGEKFKCEX-UHFFFAOYSA-N 0 0 456.458 4.875 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCCSc2ccc(F)cc2)cc1 ZINC001463938625 1068571238 /nfs/dbraw/zinc/57/12/38/1068571238.db2.gz LWJHWXDENXXROQ-SFHVURJKSA-N 0 0 450.377 4.720 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142859 1068571748 /nfs/dbraw/zinc/57/17/48/1068571748.db2.gz SJZWYSJVDOKPDG-SFTDATJTSA-N 0 0 475.678 4.978 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCOc2ccc(C)cc2)cc1OC ZINC001463944927 1068571765 /nfs/dbraw/zinc/57/17/65/1068571765.db2.gz NWHRSRLXCWGDKE-UHFFFAOYSA-N 0 0 457.530 4.674 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)NCCc3ccc4c(c3)OCCO4)cc2c1 ZINC001463944804 1068571868 /nfs/dbraw/zinc/57/18/68/1068571868.db2.gz LEMCHWZRZDJJQE-UHFFFAOYSA-N 0 0 454.548 4.992 20 0 JJADRN Cc1sc(NC(=O)[C@]2(N(C)C)COc3ccccc3C2)nc1-c1ccc(OC(F)F)cc1 ZINC001463947925 1068572261 /nfs/dbraw/zinc/57/22/61/1068572261.db2.gz QLVUMPHHQGNVGG-HSZRJFAPSA-N 0 0 459.518 4.594 20 0 JJADRN C=C/C=C\CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC001463949384 1068572750 /nfs/dbraw/zinc/57/27/50/1068572750.db2.gz YFZQZBWVYVICBA-PLNGDYQASA-N 0 0 453.347 4.720 20 0 JJADRN C[C@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463952160 1068573164 /nfs/dbraw/zinc/57/31/64/1068573164.db2.gz SGFVORQXLNYVES-GOSISDBHSA-N 0 0 450.023 4.662 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)cc1 ZINC001463958184 1068575399 /nfs/dbraw/zinc/57/53/99/1068575399.db2.gz GTLVCPDKJGUZNJ-UHFFFAOYSA-N 0 0 457.530 4.595 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1c1ccccc1 ZINC001463962965 1068575925 /nfs/dbraw/zinc/57/59/25/1068575925.db2.gz QRDQKFMCJQHXBH-LSDHHAIUSA-N 0 0 474.381 4.879 20 0 JJADRN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001463962932 1068576006 /nfs/dbraw/zinc/57/60/06/1068576006.db2.gz STMQVWGCSBQHPT-YJBOKZPZSA-N 0 0 458.020 4.507 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001546143020 1068576626 /nfs/dbraw/zinc/57/66/26/1068576626.db2.gz WYWPALBYZFAHLL-RBUKOAKNSA-N 0 0 463.692 4.915 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CCCC1 ZINC001546143074 1068577158 /nfs/dbraw/zinc/57/71/58/1068577158.db2.gz XVNHOHZTTPLWSQ-UXHICEINSA-N 0 0 461.651 4.588 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001546143097 1068578305 /nfs/dbraw/zinc/57/83/05/1068578305.db2.gz YIWYPIAZHNYOJJ-IPMKNSEASA-N 0 0 463.692 4.913 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c2ccccc12 ZINC001463972210 1068578707 /nfs/dbraw/zinc/57/87/07/1068578707.db2.gz UQIHQTXJXLCDSI-FFZOFVMBSA-N 0 0 461.624 4.909 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c(Cl)c1Cl ZINC001463974306 1068579774 /nfs/dbraw/zinc/57/97/74/1068579774.db2.gz ZVXGLXSRFABQGR-RWMBFGLXSA-N 0 0 466.427 4.673 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1Cl)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001463986804 1068581281 /nfs/dbraw/zinc/58/12/81/1068581281.db2.gz RXODJQZTMFHASS-VAMGGRTRSA-N 0 0 470.816 4.927 20 0 JJADRN Cc1ccncc1[C@@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001546143262 1068581300 /nfs/dbraw/zinc/58/13/00/1068581300.db2.gz DBKFNTORQLHXHH-LLVKDONJSA-N 0 0 459.806 4.769 20 0 JJADRN C[C@H](CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccccc21 ZINC001463991730 1068582399 /nfs/dbraw/zinc/58/23/99/1068582399.db2.gz PPCJYYOYCKBNAM-CQSZACIVSA-N 0 0 453.892 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1 ZINC001463989757 1068582506 /nfs/dbraw/zinc/58/25/06/1068582506.db2.gz VFRYOKVLYKNPBR-FUHWJXTLSA-N 0 0 456.612 4.728 20 0 JJADRN C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccccc21 ZINC001463991728 1068582723 /nfs/dbraw/zinc/58/27/23/1068582723.db2.gz PPCJYYOYCKBNAM-AWEZNQCLSA-N 0 0 453.892 4.597 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001463994600 1068583177 /nfs/dbraw/zinc/58/31/77/1068583177.db2.gz JYCGYJIFNMIBLJ-OAQYLSRUSA-N 0 0 454.567 4.587 20 0 JJADRN O=C(CCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001463996767 1068583678 /nfs/dbraw/zinc/58/36/78/1068583678.db2.gz QVVDTTYONRTLDM-UHFFFAOYSA-N 0 0 457.368 4.679 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463997802 1068583797 /nfs/dbraw/zinc/58/37/97/1068583797.db2.gz LHKOIWVYNGDGME-CVDCTZTESA-N 0 0 453.583 4.602 20 0 JJADRN Cc1nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998436 1068584383 /nfs/dbraw/zinc/58/43/83/1068584383.db2.gz DSXYHDAWAXTTMN-GBESFXJTSA-N 0 0 455.649 4.791 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H]1CCNC(=O)OC(C)(C)C ZINC001464001865 1068585734 /nfs/dbraw/zinc/58/57/34/1068585734.db2.gz ZYJOAWBTYHMNCN-CJNGLKHVSA-N 0 0 451.416 4.697 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC001464003907 1068586105 /nfs/dbraw/zinc/58/61/05/1068586105.db2.gz AJXNMGFRYWADJK-PUEQEAFISA-N 0 0 460.405 4.740 20 0 JJADRN CN(CC1CCCCC1)C(=O)c1c(I)ccc(Br)c1F ZINC001464021996 1068591555 /nfs/dbraw/zinc/59/15/55/1068591555.db2.gz SHPGWNBIQMJJPD-UHFFFAOYSA-N 0 0 454.121 4.845 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1 ZINC001464012304 1068588218 /nfs/dbraw/zinc/58/82/18/1068588218.db2.gz BBOZKOFVVQHRCC-SANMLTNESA-N 0 0 457.534 4.799 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001464012117 1068588254 /nfs/dbraw/zinc/58/82/54/1068588254.db2.gz XLLHTZCSHAHPMO-SFHVURJKSA-N 0 0 450.409 4.633 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464009928 1068588294 /nfs/dbraw/zinc/58/82/94/1068588294.db2.gz YCQIQGVGHSPBKP-RBUKOAKNSA-N 0 0 456.505 4.827 20 0 JJADRN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC001464012485 1068588637 /nfs/dbraw/zinc/58/86/37/1068588637.db2.gz DGCSLMGMKOCMDZ-GGAORHGYSA-N 0 0 454.615 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNS(=O)(=O)c1ccccc1Cl ZINC001464016208 1068589906 /nfs/dbraw/zinc/58/99/06/1068589906.db2.gz PJIOYBSOJUGJNI-QGZVFWFLSA-N 0 0 450.988 4.765 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccnc(Oc3ccccc3)c2)c(F)cc1Br ZINC001464017693 1068590414 /nfs/dbraw/zinc/59/04/14/1068590414.db2.gz GBELRFQAXDCSAL-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nscc1I ZINC001464018298 1068590545 /nfs/dbraw/zinc/59/05/45/1068590545.db2.gz SYCUYGAASDQROQ-HNNXBMFYSA-N 0 0 454.720 4.921 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(Cl)cc1F ZINC001464022157 1068591641 /nfs/dbraw/zinc/59/16/41/1068591641.db2.gz HXDUZLDYOXSFKZ-UHFFFAOYSA-N 0 0 457.752 4.778 20 0 JJADRN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)s1 ZINC001464024336 1068591771 /nfs/dbraw/zinc/59/17/71/1068591771.db2.gz FCOILTAEDBQOOV-DLBZAZTESA-N 0 0 458.605 4.564 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Br)cc1 ZINC001464025516 1068592384 /nfs/dbraw/zinc/59/23/84/1068592384.db2.gz LXKKYVBUWWQDGE-SFHVURJKSA-N 0 0 456.377 4.524 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2COc3ccccc3O2)cc1)c1ccccc1 ZINC001464027142 1068592892 /nfs/dbraw/zinc/59/28/92/1068592892.db2.gz JGODTQNEYBCCGP-YYDVJCTNSA-N 0 0 453.560 4.647 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)C2)cc1)c1ccc(F)cc1 ZINC001464027402 1068593070 /nfs/dbraw/zinc/59/30/70/1068593070.db2.gz NLXVIYRONPWSPM-JOCHJYFZSA-N 0 0 456.564 4.557 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001464031840 1068594047 /nfs/dbraw/zinc/59/40/47/1068594047.db2.gz GTFZIRYMBQXCTJ-YADHBBJMSA-N 0 0 457.615 4.905 20 0 JJADRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001464030925 1068594134 /nfs/dbraw/zinc/59/41/34/1068594134.db2.gz VJQDFWMDTCRIQF-UHFFFAOYSA-N 0 0 450.560 4.739 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3ccc(Br)cc3c2)cc1Cl ZINC001464033244 1068594489 /nfs/dbraw/zinc/59/44/89/1068594489.db2.gz CZIVQGQEAXHHNC-UHFFFAOYSA-N 0 0 453.745 4.880 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001464032742 1068594617 /nfs/dbraw/zinc/59/46/17/1068594617.db2.gz VBMNYBJQVBHLOB-NSHDSACASA-N 0 0 459.799 4.693 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@H](C)CCc4ccc(F)cc4)CC3)n2)cc1 ZINC001464037972 1068595640 /nfs/dbraw/zinc/59/56/40/1068595640.db2.gz MNBNXYIOEAFWEG-UXHICEINSA-N 0 0 450.558 4.658 20 0 JJADRN CC(C)c1cc(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc(=O)[nH]1 ZINC001464039571 1068596352 /nfs/dbraw/zinc/59/63/52/1068596352.db2.gz DSDVNHLZZWGFRR-UHFFFAOYSA-N 0 0 454.954 4.778 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c2ccccc21 ZINC001464041395 1068597628 /nfs/dbraw/zinc/59/76/28/1068597628.db2.gz HLFTZHHEDOYWOK-SQJMNOBHSA-N 0 0 450.579 4.888 20 0 JJADRN O=C(c1scc(Br)c1Br)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC001464043303 1068597975 /nfs/dbraw/zinc/59/79/75/1068597975.db2.gz OFTRLGFLVKRBHT-HNNXBMFYSA-N 0 0 459.203 4.859 20 0 JJADRN O=C(CCCCCc1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001464042048 1068598150 /nfs/dbraw/zinc/59/81/50/1068598150.db2.gz IWNNBELGMOABPA-UHFFFAOYSA-N 0 0 459.015 4.899 20 0 JJADRN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC001464048271 1068599631 /nfs/dbraw/zinc/59/96/31/1068599631.db2.gz WJGIVLGUVPTTFP-SFHVURJKSA-N 0 0 458.440 4.774 20 0 JJADRN O=C(CNS(=O)(=O)c1cc(Br)ccc1Cl)c1c(Cl)cccc1Cl ZINC001464049006 1068599825 /nfs/dbraw/zinc/59/98/25/1068599825.db2.gz JHTCOSQBTSELAJ-UHFFFAOYSA-N 0 0 457.560 4.571 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)cc1 ZINC001464052328 1068601045 /nfs/dbraw/zinc/60/10/45/1068601045.db2.gz HFNPTZOAVBGFRO-CYBMUJFWSA-N 0 0 457.324 4.715 20 0 JJADRN CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(F)c(F)c1 ZINC001464054797 1068601738 /nfs/dbraw/zinc/60/17/38/1068601738.db2.gz VCOJLYVPNCNWCK-UHFFFAOYSA-N 0 0 450.485 4.898 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001464060512 1068602991 /nfs/dbraw/zinc/60/29/91/1068602991.db2.gz WBAKWVYTZZZEMZ-PJXYFTJBSA-N 0 0 453.240 4.871 20 0 JJADRN CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C ZINC001464065492 1068603413 /nfs/dbraw/zinc/60/34/13/1068603413.db2.gz NOVHNGWUHVRQEC-UHFFFAOYSA-N 0 0 452.576 4.775 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)cc1 ZINC001464066299 1068603598 /nfs/dbraw/zinc/60/35/98/1068603598.db2.gz RBNISFFASSWCAB-UHFFFAOYSA-N 0 0 450.560 4.695 20 0 JJADRN O=C(NCc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001464067452 1068604179 /nfs/dbraw/zinc/60/41/79/1068604179.db2.gz UUYPEBGRJGNORD-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccccc2CSC2=NCCS2)cc1 ZINC001464067562 1068604197 /nfs/dbraw/zinc/60/41/97/1068604197.db2.gz SOVZAAMGUFIYQC-UHFFFAOYSA-N 0 0 453.511 4.567 20 0 JJADRN C[C@H](C(=O)N(Cc1cc(Br)ccc1F)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001464067719 1068604208 /nfs/dbraw/zinc/60/42/08/1068604208.db2.gz VNHHMGNYOBCTNZ-ZDUSSCGKSA-N 0 0 455.368 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C[C@H]1[C@@H]1CCCO1 ZINC001464069322 1068605049 /nfs/dbraw/zinc/60/50/49/1068605049.db2.gz ZOIZBGVCRRHRCP-NYVOZVTQSA-N 0 0 458.555 4.596 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001464079053 1068607716 /nfs/dbraw/zinc/60/77/16/1068607716.db2.gz LHHSIRSUKBMKEL-CYBMUJFWSA-N 0 0 451.880 4.853 20 0 JJADRN CC/C(=C\C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1)c1ccc(OC)cc1 ZINC001464077684 1068607768 /nfs/dbraw/zinc/60/77/68/1068607768.db2.gz FZRVDMKIDCJOPO-IYICPGQYSA-N 0 0 458.484 4.956 20 0 JJADRN CCCc1cc(C(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)sc1C ZINC001464077276 1068607890 /nfs/dbraw/zinc/60/78/90/1068607890.db2.gz YGXWMTJSQQKEAJ-UHFFFAOYSA-N 0 0 452.624 4.758 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 ZINC001464079569 1068608454 /nfs/dbraw/zinc/60/84/54/1068608454.db2.gz HOXGJNPMCHQUJT-LJQANCHMSA-N 0 0 454.386 4.772 20 0 JJADRN CC[C@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)c1ccccc1OC(F)F ZINC001464084428 1068609163 /nfs/dbraw/zinc/60/91/63/1068609163.db2.gz JRUUBFJTOYSQJD-HNNXBMFYSA-N 0 0 455.527 4.579 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c2ccccc12 ZINC001464085972 1068609188 /nfs/dbraw/zinc/60/91/88/1068609188.db2.gz CCAYZTBEVLZWPA-DEOSSOPVSA-N 0 0 452.620 4.770 20 0 JJADRN Cc1ccc(Br)c(CS(=O)(=O)Oc2cc(F)c(Br)cc2C)c1 ZINC001464086795 1068610369 /nfs/dbraw/zinc/61/03/69/1068610369.db2.gz HODNRAQAFINNIV-UHFFFAOYSA-N 0 0 452.139 4.876 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC001464087608 1068610398 /nfs/dbraw/zinc/61/03/98/1068610398.db2.gz JNLLNJHFUWPNJM-LSDHHAIUSA-N 0 0 456.568 4.890 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cnc3ccc(Br)cc3c2O)ccc1OC(C)C ZINC001464092380 1068612000 /nfs/dbraw/zinc/61/20/00/1068612000.db2.gz BKVJVTYVISBVRD-CYBMUJFWSA-N 0 0 459.340 4.577 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1 ZINC001464095537 1068613429 /nfs/dbraw/zinc/61/34/29/1068613429.db2.gz HDDAANVHJLLYHT-UHFFFAOYSA-N 0 0 450.579 4.874 20 0 JJADRN COc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001464095513 1068613477 /nfs/dbraw/zinc/61/34/77/1068613477.db2.gz RWCKDBYDZXJWEU-RYRKJORJSA-N 0 0 461.559 4.769 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1I ZINC001464097903 1068613941 /nfs/dbraw/zinc/61/39/41/1068613941.db2.gz VDHVJLLLHHVJSE-GFCCVEGCSA-N 0 0 452.317 4.822 20 0 JJADRN Cc1ccc(Br)cc1CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001464103028 1068616061 /nfs/dbraw/zinc/61/60/61/1068616061.db2.gz OPXNMXUWZVHRIM-UHFFFAOYSA-N 0 0 458.683 4.788 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1 ZINC001464104675 1068616940 /nfs/dbraw/zinc/61/69/40/1068616940.db2.gz CUNHLBUZPOGBBP-WOIUINJBSA-N 0 0 468.660 4.958 20 0 JJADRN Cc1ccc2ncccc2c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001464106733 1068617340 /nfs/dbraw/zinc/61/73/40/1068617340.db2.gz ITGZQSFSWXDZNG-DYESRHJHSA-N 0 0 461.628 4.637 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3Cc3cnn(C)c3)cc2)cc1 ZINC001464105528 1068617476 /nfs/dbraw/zinc/61/74/76/1068617476.db2.gz FWZPQRLVNVKYEE-WZONZLPQSA-N 0 0 457.621 4.624 20 0 JJADRN Cc1cc(Br)c(CNS(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC001464110743 1068617992 /nfs/dbraw/zinc/61/79/92/1068617992.db2.gz JWDOZALGLJVVBO-UHFFFAOYSA-N 0 0 459.612 4.713 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1Br)N1CCC2(CCc3ccccc3O2)CC1 ZINC001464109572 1068618270 /nfs/dbraw/zinc/61/82/70/1068618270.db2.gz GQEMNUPYTUUALG-UHFFFAOYSA-N 0 0 456.789 4.651 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546144477 1068618638 /nfs/dbraw/zinc/61/86/38/1068618638.db2.gz METFSQFSNIPTGC-IBGZPJMESA-N 0 0 463.667 4.519 20 0 JJADRN COc1c(C)cc(S(=O)(=O)N[C@@H]2CCCSc3ccc(Br)cc32)cc1C ZINC001464115137 1068619909 /nfs/dbraw/zinc/61/99/09/1068619909.db2.gz WKCKVGGYODAHGC-QGZVFWFLSA-N 0 0 456.427 4.980 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)N2CC3(CC3)c3ccc(Br)cc32)c1 ZINC001464116376 1068620502 /nfs/dbraw/zinc/62/05/02/1068620502.db2.gz NCVHGRIVJDPKRB-UHFFFAOYSA-N 0 0 457.187 4.761 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001464118506 1068621137 /nfs/dbraw/zinc/62/11/37/1068621137.db2.gz CYAFFDQCFXLOEN-IAGOWNOFSA-N 0 0 482.021 4.609 20 0 JJADRN C[C@H]1c2ccccc2OCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001464119452 1068621268 /nfs/dbraw/zinc/62/12/68/1068621268.db2.gz AJRZXPPENXNLLC-JTQLQIEISA-N 0 0 451.169 4.900 20 0 JJADRN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC001464119962 1068621758 /nfs/dbraw/zinc/62/17/58/1068621758.db2.gz BAMMQSJKPZXRFZ-GOSISDBHSA-N 0 0 454.596 4.659 20 0 JJADRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC001464119970 1068621804 /nfs/dbraw/zinc/62/18/04/1068621804.db2.gz BAMMQSJKPZXRFZ-SFHVURJKSA-N 0 0 454.596 4.659 20 0 JJADRN C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464120639 1068621813 /nfs/dbraw/zinc/62/18/13/1068621813.db2.gz DSVGACWTIFATIY-OFNKIYASSA-N 0 0 452.595 4.753 20 0 JJADRN Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001464120818 1068621837 /nfs/dbraw/zinc/62/18/37/1068621837.db2.gz DBKYDWOFXIBTOR-GOSISDBHSA-N 0 0 452.642 4.784 20 0 JJADRN C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464120637 1068621861 /nfs/dbraw/zinc/62/18/61/1068621861.db2.gz DSVGACWTIFATIY-NZQKXSOJSA-N 0 0 452.595 4.753 20 0 JJADRN C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464120640 1068621867 /nfs/dbraw/zinc/62/18/67/1068621867.db2.gz DSVGACWTIFATIY-REWPJTCUSA-N 0 0 452.595 4.753 20 0 JJADRN COc1ccc(S(=O)(=O)NCC(F)(F)c2ccc(Br)cc2)c2ccccc12 ZINC001464124142 1068623753 /nfs/dbraw/zinc/62/37/53/1068623753.db2.gz WMJLTLYVJQANND-UHFFFAOYSA-N 0 0 456.308 4.681 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001464125928 1068624243 /nfs/dbraw/zinc/62/42/43/1068624243.db2.gz RYDMDKMRLMVSON-LJQANCHMSA-N 0 0 456.391 4.764 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCCc3cc(Br)ccc32)cc1 ZINC001464128078 1068625510 /nfs/dbraw/zinc/62/55/10/1068625510.db2.gz ZUXZHSYOALKFGZ-IBGZPJMESA-N 0 0 451.386 4.544 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(Br)nc3n2CCCC3)cn1 ZINC001464128781 1068626033 /nfs/dbraw/zinc/62/60/33/1068626033.db2.gz JQAHAWXGFQOEQJ-UHFFFAOYSA-N 0 0 457.328 4.739 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)n1 ZINC001464128137 1068626064 /nfs/dbraw/zinc/62/60/64/1068626064.db2.gz CTSBNLSOYMQHBF-OALUTQOASA-N 0 0 457.578 4.768 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001464130985 1068627332 /nfs/dbraw/zinc/62/73/32/1068627332.db2.gz NOCPYXKJFHYRDH-VNTMZGSJSA-N 0 0 457.615 4.636 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001464131645 1068627625 /nfs/dbraw/zinc/62/76/25/1068627625.db2.gz RHGGNANNQFOFDG-CALCHBBNSA-N 0 0 455.555 4.675 20 0 JJADRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001464131651 1068627726 /nfs/dbraw/zinc/62/77/26/1068627726.db2.gz RHGGNANNQFOFDG-IRXDYDNUSA-N 0 0 455.555 4.675 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC001464131007 1068627778 /nfs/dbraw/zinc/62/77/78/1068627778.db2.gz OKZOWLXRITZAMZ-OKILXGFUSA-N 0 0 455.356 4.696 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)Cc1ccc(Br)o1 ZINC001464132799 1068628405 /nfs/dbraw/zinc/62/84/05/1068628405.db2.gz AMXKUVHHCRYNLN-UHFFFAOYSA-N 0 0 453.134 4.571 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(I)cc1Cl ZINC001464132977 1068628714 /nfs/dbraw/zinc/62/87/14/1068628714.db2.gz ATGIIHPDYXDDSI-UHFFFAOYSA-N 0 0 450.748 4.702 20 0 JJADRN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Oc3ccc(SC)cc3)cc2)OC)c1 ZINC001464135677 1068629476 /nfs/dbraw/zinc/62/94/76/1068629476.db2.gz KRLIYZKYRROYEK-HSZRJFAPSA-N 0 0 459.589 4.875 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCc2ccc(-c3ccccc3)s2)c1 ZINC001464136092 1068629985 /nfs/dbraw/zinc/62/99/85/1068629985.db2.gz ONXMTVAGBXKBKM-UHFFFAOYSA-N 0 0 455.479 4.699 20 0 JJADRN O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CC[C@H]1c1ccc(Br)cc1 ZINC001464139297 1068631205 /nfs/dbraw/zinc/63/12/05/1068631205.db2.gz SEHLDNQLHSNWMD-INIZCTEOSA-N 0 0 455.736 4.926 20 0 JJADRN CC(C)[C@H](O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001464143000 1068632522 /nfs/dbraw/zinc/63/25/22/1068632522.db2.gz CUHZGRGGRAHNPH-IRXDYDNUSA-N 0 0 455.420 4.761 20 0 JJADRN CCC(C)(C)CCS(=O)(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC001464149235 1068633739 /nfs/dbraw/zinc/63/37/39/1068633739.db2.gz UORYFTXZOYMAOJ-UHFFFAOYSA-N 0 0 453.240 4.726 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001464150265 1068634459 /nfs/dbraw/zinc/63/44/59/1068634459.db2.gz NTDFKQKUCFLHMI-CQSZACIVSA-N 0 0 452.292 4.647 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001464150971 1068634494 /nfs/dbraw/zinc/63/44/94/1068634494.db2.gz YHUSNINCECMZCX-HNNXBMFYSA-N 0 0 454.976 4.666 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)CCOCC1 ZINC001546144786 1068634875 /nfs/dbraw/zinc/63/48/75/1068634875.db2.gz TWYAEIUBQJPXEC-UHFFFAOYSA-N 0 0 473.706 4.693 20 0 JJADRN Cc1nc(C(=O)NCCc2ccc(N3CCCCC3)cc2)nn1-c1c(Cl)cccc1Cl ZINC001464155886 1068636333 /nfs/dbraw/zinc/63/63/33/1068636333.db2.gz ABUWVCNAXFGEPJ-UHFFFAOYSA-N 0 0 458.393 4.845 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC001464156913 1068636344 /nfs/dbraw/zinc/63/63/44/1068636344.db2.gz NFSZTRIRDQJSHG-UHFFFAOYSA-N 0 0 456.539 4.669 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(NCc2ccccn2)c1 ZINC001464159869 1068637629 /nfs/dbraw/zinc/63/76/29/1068637629.db2.gz MFOYLSROKQZEOJ-UHFFFAOYSA-N 0 0 458.543 4.747 20 0 JJADRN CCCc1nc(C(=O)NCCc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1Cl ZINC001464162024 1068638265 /nfs/dbraw/zinc/63/82/65/1068638265.db2.gz UQKRHIZGUSRXGU-UHFFFAOYSA-N 0 0 452.002 4.836 20 0 JJADRN Cc1ccc(NC2CC2)c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001464162033 1068638337 /nfs/dbraw/zinc/63/83/37/1068638337.db2.gz GUXLMPUMSAXRMR-UHFFFAOYSA-N 0 0 457.502 4.901 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001464167041 1068641009 /nfs/dbraw/zinc/64/10/09/1068641009.db2.gz PMAISQDVBMQQJX-UHFFFAOYSA-N 0 0 457.562 4.797 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC001464167759 1068641434 /nfs/dbraw/zinc/64/14/34/1068641434.db2.gz QHEOEIGYIYLPQQ-UHFFFAOYSA-N 0 0 459.472 4.870 20 0 JJADRN C[C@@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464167784 1068641485 /nfs/dbraw/zinc/64/14/85/1068641485.db2.gz QNMUQMFBLCWGNW-HGHGUNKESA-N 0 0 452.555 4.811 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC001464176666 1068643634 /nfs/dbraw/zinc/64/36/34/1068643634.db2.gz HOVUXOVIAJZYMD-UHFFFAOYSA-N 0 0 454.633 4.762 20 0 JJADRN O=C(NCc1cccnc1Oc1cccc(F)c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001464178318 1068644169 /nfs/dbraw/zinc/64/41/69/1068644169.db2.gz CNDPNOFAAITTPK-KQWNVCNZSA-N 0 0 457.461 4.693 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)N1CCC(c2ccccc2)CC1 ZINC001464178158 1068644238 /nfs/dbraw/zinc/64/42/38/1068644238.db2.gz YOFDAYKHIOSOKT-UHFFFAOYSA-N 0 0 456.514 4.785 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCN(C)c3cc(Cl)ccc32)cc1C(C)C ZINC001464182646 1068645555 /nfs/dbraw/zinc/64/55/55/1068645555.db2.gz RKFNQKAVRBZAJI-UHFFFAOYSA-N 0 0 453.004 4.524 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC001464182177 1068645630 /nfs/dbraw/zinc/64/56/30/1068645630.db2.gz WAYAPWAKTIGPGC-UHFFFAOYSA-N 0 0 459.472 4.864 20 0 JJADRN O=S(=O)(Oc1cccc(OC(F)(F)F)c1Br)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001464180153 1068645751 /nfs/dbraw/zinc/64/57/51/1068645751.db2.gz NTMZNXZGWNVAMW-SMDDNHRTSA-N 0 0 455.223 4.752 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC001464182928 1068646109 /nfs/dbraw/zinc/64/61/09/1068646109.db2.gz AYWFUCMOPXWGPV-LJQANCHMSA-N 0 0 458.400 4.509 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001464182884 1068646125 /nfs/dbraw/zinc/64/61/25/1068646125.db2.gz XOTBVQHDDJDLMQ-XMMPIXPASA-N 0 0 452.576 4.810 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001464188424 1068648376 /nfs/dbraw/zinc/64/83/76/1068648376.db2.gz WEIYHVPGFMJAMX-UHFFFAOYSA-N 0 0 453.901 4.701 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc3ccccc3)c1)CCC2 ZINC001464189850 1068648923 /nfs/dbraw/zinc/64/89/23/1068648923.db2.gz OCZQUODOWXPVJS-QFIPXVFZSA-N 0 0 450.560 4.863 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)cc1)N1CCOCC1 ZINC001464191016 1068649500 /nfs/dbraw/zinc/64/95/00/1068649500.db2.gz WAGDKHWRBDDVGX-UHFFFAOYSA-N 0 0 456.951 4.738 20 0 JJADRN COC[C@@H](C)N([C@H]1CCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Br ZINC001464196352 1068652280 /nfs/dbraw/zinc/65/22/80/1068652280.db2.gz SMJAFCVXHDJQPY-ACJLOTCBSA-N 0 0 458.805 4.816 20 0 JJADRN CCCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205723 1068656227 /nfs/dbraw/zinc/65/62/27/1068656227.db2.gz GZOQHXPGHOMAMU-NRFANRHFSA-N 0 0 456.011 4.984 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1C ZINC001464207824 1068658090 /nfs/dbraw/zinc/65/80/90/1068658090.db2.gz XPDYSJHIAOXDSN-TYCQWZJGSA-N 0 0 450.398 4.506 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)cc1C(C)C ZINC001464209209 1068658676 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CCc1nn(C)cc1S(=O)(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001464390410 1068728283 /nfs/dbraw/zinc/72/82/83/1068728283.db2.gz FTZKFXMLBDMOBP-UHFFFAOYSA-N 0 0 455.914 4.527 20 0 JJADRN O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CCC(N2CCNC2=O)CC1 ZINC001464390098 1068728371 /nfs/dbraw/zinc/72/83/71/1068728371.db2.gz DUHGLDPGONUPQL-UHFFFAOYSA-N 0 0 450.391 4.774 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC001464391473 1068728387 /nfs/dbraw/zinc/72/83/87/1068728387.db2.gz DFOGZLRYWLHTEB-UHFFFAOYSA-N 0 0 457.379 4.534 20 0 JJADRN COCC(=O)N[C@H](C(=O)NC[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)C(C)C ZINC001464390867 1068728759 /nfs/dbraw/zinc/72/87/59/1068728759.db2.gz XTLRAEOWMBLETR-FRRISVFZSA-N 0 0 456.671 4.724 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cnc2c(Br)csc2c1 ZINC001464394070 1068729811 /nfs/dbraw/zinc/72/98/11/1068729811.db2.gz RZYGZHBLUZVTHB-GXTWGEPZSA-N 0 0 477.327 4.912 20 0 JJADRN COc1cccc([C@H]2CCN(S(=O)(=O)c3cc(C)c(Br)cc3F)C2(C)C)c1 ZINC001464395733 1068730344 /nfs/dbraw/zinc/73/03/44/1068730344.db2.gz QOHAYRRMTYWSAA-MRXNPFEDSA-N 0 0 456.377 4.862 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC001464397130 1068730967 /nfs/dbraw/zinc/73/09/67/1068730967.db2.gz GERJPMPCCQBRQF-UHFFFAOYSA-N 0 0 452.776 4.979 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CCCO1 ZINC001464400875 1068733262 /nfs/dbraw/zinc/73/32/62/1068733262.db2.gz WQAZXGAETQADRQ-FQEVSTJZSA-N 0 0 456.486 4.582 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccccc1COC1CCOCC1 ZINC001464401376 1068733721 /nfs/dbraw/zinc/73/37/21/1068733721.db2.gz OHVUTYBXIZVQFH-UHFFFAOYSA-N 0 0 458.396 4.996 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)NCC3(c4cccc(Br)c4)CCC3)cc2)C[C@H](C)O1 ZINC001464402490 1068733758 /nfs/dbraw/zinc/73/37/58/1068733758.db2.gz RDIWOMRMHSOSSP-ROUUACIJSA-N 0 0 457.412 4.914 20 0 JJADRN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001464404051 1068734261 /nfs/dbraw/zinc/73/42/61/1068734261.db2.gz 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COc1ccccc1C[C@@H]1CCCN1C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001464553936 1068780213 /nfs/dbraw/zinc/78/02/13/1068780213.db2.gz WGVZUKCQRVXNPZ-VWLOTQADSA-N 0 0 456.586 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC001464558357 1068781275 /nfs/dbraw/zinc/78/12/75/1068781275.db2.gz OCIOOPQFJHTJKL-DEBLGDTFSA-N 0 0 457.796 4.922 20 0 JJADRN COc1ccccc1C1(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)CCCCC1 ZINC001464561938 1068782296 /nfs/dbraw/zinc/78/22/96/1068782296.db2.gz UILLIOINTOYRTA-UHFFFAOYSA-N 0 0 454.636 4.556 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNS(=O)(=O)c2sc3ccccc3c2Cl)c1 ZINC001464563226 1068782948 /nfs/dbraw/zinc/78/29/48/1068782948.db2.gz ZGFRVEWDBVNUHP-UHFFFAOYSA-N 0 0 453.973 4.775 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1N ZINC001464563313 1068782984 /nfs/dbraw/zinc/78/29/84/1068782984.db2.gz KYXBQVWDWRFJHH-NRFANRHFSA-N 0 0 454.574 4.796 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC001464563573 1068783054 /nfs/dbraw/zinc/78/30/54/1068783054.db2.gz MCKPMWUGPCYRQD-OYHNWAKOSA-N 0 0 459.414 4.850 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cnc(C2(C)OCCO2)s1 ZINC001464566084 1068783543 /nfs/dbraw/zinc/78/35/43/1068783543.db2.gz RRHCWWFKRMSHNF-GOSISDBHSA-N 0 0 452.576 4.645 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)c(Cl)c1 ZINC001464566480 1068784161 /nfs/dbraw/zinc/78/41/61/1068784161.db2.gz HCYSYAQIPZCFEV-JTQLQIEISA-N 0 0 453.891 4.778 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)c2)cn1 ZINC001464568992 1068785043 /nfs/dbraw/zinc/78/50/43/1068785043.db2.gz CDALJLCXEOGZMD-FGZHOGPDSA-N 0 0 456.562 4.620 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC001464569290 1068785126 /nfs/dbraw/zinc/78/51/26/1068785126.db2.gz KKYWRAGUPWJZDM-UHFFFAOYSA-N 0 0 459.521 4.689 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cn1 ZINC001464568993 1068785210 /nfs/dbraw/zinc/78/52/10/1068785210.db2.gz CDALJLCXEOGZMD-VXKWHMMOSA-N 0 0 456.562 4.620 20 0 JJADRN CCc1ccc(CS(=O)(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 ZINC001464569726 1068785227 /nfs/dbraw/zinc/78/52/27/1068785227.db2.gz NRFBSMUOZOEISD-UHFFFAOYSA-N 0 0 450.398 4.659 20 0 JJADRN Cn1nc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1NC(=O)OC(C)(C)C ZINC001464571578 1068786155 /nfs/dbraw/zinc/78/61/55/1068786155.db2.gz UQGHIOYRNNTJHK-HNNXBMFYSA-N 0 0 453.568 4.748 20 0 JJADRN O=S(=O)(Cc1cccc(Cl)c1)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001464571210 1068786165 /nfs/dbraw/zinc/78/61/65/1068786165.db2.gz ZQXXAKTVFZUEHF-UHFFFAOYSA-N 0 0 456.789 4.750 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)[C@H](O)c1ccc(Cl)cc1F ZINC001464573308 1068787344 /nfs/dbraw/zinc/78/73/44/1068787344.db2.gz JJWFCBDUVVJMEU-JOCHJYFZSA-N 0 0 459.304 4.894 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC001464578009 1068789386 /nfs/dbraw/zinc/78/93/86/1068789386.db2.gz BVGFDNUUWBHINF-IAGOWNOFSA-N 0 0 455.462 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC001464579633 1068789901 /nfs/dbraw/zinc/78/99/01/1068789901.db2.gz MBFDGBFUAGOHTA-JOCHJYFZSA-N 0 0 458.599 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001464578961 1068789936 /nfs/dbraw/zinc/78/99/36/1068789936.db2.gz JOEYMDVHZRFQGM-KRWDZBQOSA-N 0 0 459.587 4.504 20 0 JJADRN Cc1cccc(NC(=O)[C@@H](O)c2ccccc2C(F)(F)F)c1C(=O)NCCc1ccccc1 ZINC001464580644 1068790417 /nfs/dbraw/zinc/79/04/17/1068790417.db2.gz SUQAUTFBJNYUIK-QFIPXVFZSA-N 0 0 456.464 4.658 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1cccc2c1OCCCO2 ZINC001464581583 1068790841 /nfs/dbraw/zinc/79/08/41/1068790841.db2.gz OAROICOYMRTRKV-INIZCTEOSA-N 0 0 456.269 4.737 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546148048 1068793144 /nfs/dbraw/zinc/79/31/44/1068793144.db2.gz CNFRSDRYTNEGMO-ICSRJNTNSA-N 0 0 471.621 4.938 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001464594150 1068793658 /nfs/dbraw/zinc/79/36/58/1068793658.db2.gz AQRBFTXJSMUVEO-DSKINZAPSA-N 0 0 457.615 4.888 20 0 JJADRN O=C(Cc1ccccc1F)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC001464593875 1068793736 /nfs/dbraw/zinc/79/37/36/1068793736.db2.gz ATXBXCXQVIWLOO-UHFFFAOYSA-N 0 0 451.350 4.874 20 0 JJADRN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001464599951 1068795202 /nfs/dbraw/zinc/79/52/02/1068795202.db2.gz ILXUIYXACFAQII-JTQLQIEISA-N 0 0 454.848 4.548 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCC(C)(C)c2ccccc2OC)cc1 ZINC001464601019 1068796003 /nfs/dbraw/zinc/79/60/03/1068796003.db2.gz WRSPWDDHPCWMMF-UHFFFAOYSA-N 0 0 450.510 4.803 20 0 JJADRN CCN1CCc2nc3ccccc3c(C(=O)N[C@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602376 1068796533 /nfs/dbraw/zinc/79/65/33/1068796533.db2.gz LDKAPRAECCJCCG-MRXNPFEDSA-N 0 0 452.396 4.736 20 0 JJADRN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC001464602935 1068796874 /nfs/dbraw/zinc/79/68/74/1068796874.db2.gz HKBHBTAOPNGFMH-UHFFFAOYSA-N 0 0 450.926 4.907 20 0 JJADRN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]1c1cncc(Br)c1 ZINC001464604948 1068797118 /nfs/dbraw/zinc/79/71/18/1068797118.db2.gz ZEVWVDRDWKRVDV-CQSZACIVSA-N 0 0 453.255 4.528 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)c21 ZINC001464607107 1068797353 /nfs/dbraw/zinc/79/73/53/1068797353.db2.gz SABKPOYHXATCQF-UHFFFAOYSA-N 0 0 454.958 4.529 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCCO1 ZINC001464608485 1068797491 /nfs/dbraw/zinc/79/74/91/1068797491.db2.gz UICBBQXDYIVBOH-KBMIEXCESA-N 0 0 450.579 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1NC(=O)/C=C/c1ccsc1 ZINC001464613036 1068799304 /nfs/dbraw/zinc/79/93/04/1068799304.db2.gz IICTXFRHYWDLDO-ZGKFYVQTSA-N 0 0 456.564 4.956 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001546148195 1068799647 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WBDLGRRCZNERNB-SCLBCKFNSA-N 0 0 453.174 4.915 20 0 JJADRN C[C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccc(Br)c1 ZINC001464617487 1068800759 /nfs/dbraw/zinc/80/07/59/1068800759.db2.gz WBDLGRRCZNERNB-ACJLOTCBSA-N 0 0 453.174 4.915 20 0 JJADRN COc1cccc([C@@H](O)C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 ZINC001464616680 1068800774 /nfs/dbraw/zinc/80/07/74/1068800774.db2.gz SSPOVFQHYDVQMR-XMMPIXPASA-N 0 0 450.922 4.500 20 0 JJADRN C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001464619776 1068801284 /nfs/dbraw/zinc/80/12/84/1068801284.db2.gz XMBHEPSGELRJSZ-MRXNPFEDSA-N 0 0 452.352 4.817 20 0 JJADRN C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001464620160 1068801601 /nfs/dbraw/zinc/80/16/01/1068801601.db2.gz YJBOXJIFSWQLMR-INIZCTEOSA-N 0 0 452.352 4.817 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)C1 ZINC001464622401 1068801769 /nfs/dbraw/zinc/80/17/69/1068801769.db2.gz PHCKOMQGKLGTDU-ZWKOTPCHSA-N 0 0 462.637 4.810 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2ccc(Oc3ccccc3)nc2)cc(Br)c1O ZINC001464623943 1068802049 /nfs/dbraw/zinc/80/20/49/1068802049.db2.gz CSPQNBGTLVDSEU-VQHVLOKHSA-N 0 0 455.308 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OCCC(F)(F)F)c2ccccc21 ZINC001464624746 1068802562 /nfs/dbraw/zinc/80/25/62/1068802562.db2.gz OGRBZHBHAXBXBD-CVEARBPZSA-N 0 0 458.477 4.705 20 0 JJADRN Cc1csc(C[C@H]2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C2)n1 ZINC001464624847 1068802729 /nfs/dbraw/zinc/80/27/29/1068802729.db2.gz XUHHZUOSLGELFE-CQSZACIVSA-N 0 0 451.411 4.621 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC001464627093 1068802989 /nfs/dbraw/zinc/80/29/89/1068802989.db2.gz PESMYMLDYDFXDC-MRXNPFEDSA-N 0 0 455.230 4.593 20 0 JJADRN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464632527 1068804976 /nfs/dbraw/zinc/80/49/76/1068804976.db2.gz SXBJYLGOVOUAIJ-WOJBJXKFSA-N 0 0 451.449 4.809 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001464634832 1068805613 /nfs/dbraw/zinc/80/56/13/1068805613.db2.gz CCUMVMXHHOPOAS-AQTBWJFISA-N 0 0 457.279 4.924 20 0 JJADRN CCCCOc1cc(OCCC)ccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001464638023 1068806991 /nfs/dbraw/zinc/80/69/91/1068806991.db2.gz OVUMCBPPNKQFHC-UHFFFAOYSA-N 0 0 458.986 4.906 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001464636644 1068807006 /nfs/dbraw/zinc/80/70/06/1068807006.db2.gz MXCBMRJRAZZJOQ-UHFFFAOYSA-N 0 0 451.271 4.752 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001464637846 1068807032 /nfs/dbraw/zinc/80/70/32/1068807032.db2.gz PQYMXSMCVBYANJ-UHFFFAOYSA-N 0 0 453.289 4.678 20 0 JJADRN O=C(CCc1cccc(Br)c1)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001464640456 1068808054 /nfs/dbraw/zinc/80/80/54/1068808054.db2.gz WEAWVAZTXRFQKP-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN CC1(C)Cc2cc(S(=O)(=O)N3CCc4cc(Cl)cc(Br)c4C3)ccc2O1 ZINC001464641932 1068808717 /nfs/dbraw/zinc/80/87/17/1068808717.db2.gz RJDSBSCQNVGFNX-UHFFFAOYSA-N 0 0 456.789 4.563 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546148416 1068809889 /nfs/dbraw/zinc/80/98/89/1068809889.db2.gz PHFVFDSHSTWQOV-AZUAARDMSA-N 0 0 471.621 4.938 20 0 JJADRN O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc(SC(F)(F)F)cc2Cl)cc1 ZINC001464647228 1068810529 /nfs/dbraw/zinc/81/05/29/1068810529.db2.gz VAUITYAPMJMLJQ-UHFFFAOYSA-N 0 0 451.875 4.846 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1COCC[C@H]1c1ccccc1 ZINC001464648950 1068810810 /nfs/dbraw/zinc/81/08/10/1068810810.db2.gz CMGVAUJVWJWBID-HNNXBMFYSA-N 0 0 451.169 4.866 20 0 JJADRN CCC[C@@H](NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464652693 1068812676 /nfs/dbraw/zinc/81/26/76/1068812676.db2.gz DHZBDSYNARXGNO-HSZRJFAPSA-N 0 0 459.594 4.831 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ncc(Cc2ccccc2)o1 ZINC001464655057 1068813370 /nfs/dbraw/zinc/81/33/70/1068813370.db2.gz GNSJCUSKBAALKV-UHFFFAOYSA-N 0 0 455.352 4.506 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)C2CC2)cc1 ZINC001464658751 1068814190 /nfs/dbraw/zinc/81/41/90/1068814190.db2.gz PQPYFYJEQJDZSB-SANMLTNESA-N 0 0 453.602 4.649 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001464658985 1068814798 /nfs/dbraw/zinc/81/47/98/1068814798.db2.gz ZEPSYDJTJQQKMK-NRFANRHFSA-N 0 0 454.935 4.974 20 0 JJADRN CCOc1ccc2nc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)sc2c1 ZINC001464659516 1068814899 /nfs/dbraw/zinc/81/48/99/1068814899.db2.gz VWEQFHLLBORWEK-LJQANCHMSA-N 0 0 453.564 4.996 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cccc(Cl)c1 ZINC001464660959 1068815302 /nfs/dbraw/zinc/81/53/02/1068815302.db2.gz LYAIMRVCQNEFRP-SAPNQHFASA-N 0 0 456.974 4.834 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc3c(ccc(Br)c3F)[nH]2)C1 ZINC001464661482 1068815350 /nfs/dbraw/zinc/81/53/50/1068815350.db2.gz XKIMGQZEAIJYTK-LBPRGKRZSA-N 0 0 454.340 4.541 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 ZINC001464660826 1068815490 /nfs/dbraw/zinc/81/54/90/1068815490.db2.gz DROWRGXPDYCLNC-UHFFFAOYSA-N 0 0 451.489 4.501 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001464662441 1068815915 /nfs/dbraw/zinc/81/59/15/1068815915.db2.gz JIVCZTJNCUSFTL-VGSWGCGISA-N 0 0 457.036 4.921 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001464662440 1068816144 /nfs/dbraw/zinc/81/61/44/1068816144.db2.gz JIVCZTJNCUSFTL-VGOFRKELSA-N 0 0 457.036 4.921 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)ccc1F ZINC001464661691 1068816237 /nfs/dbraw/zinc/81/62/37/1068816237.db2.gz AJZZICLQLUTYEO-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN Cc1cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001464662011 1068816291 /nfs/dbraw/zinc/81/62/91/1068816291.db2.gz BLCXWCDGIFDCHK-UHFFFAOYSA-N 0 0 458.415 4.966 20 0 JJADRN Cc1cc(NC(=O)c2csc(Nc3ccccn3)n2)n(-c2cccc(Br)c2)n1 ZINC001464664621 1068817200 /nfs/dbraw/zinc/81/72/00/1068817200.db2.gz AQXVVCRAWQEFJO-UHFFFAOYSA-N 0 0 455.341 4.791 20 0 JJADRN Cc1cc(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)n(-c2cccc(Br)c2)n1 ZINC001464666128 1068817224 /nfs/dbraw/zinc/81/72/24/1068817224.db2.gz GUIQCZZDSPACEH-UHFFFAOYSA-N 0 0 455.234 4.676 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)c(F)cc1F ZINC001464667607 1068817736 /nfs/dbraw/zinc/81/77/36/1068817736.db2.gz RULNGBTVVBWATD-UHFFFAOYSA-N 0 0 456.511 4.509 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)ccc1O ZINC001464669170 1068818325 /nfs/dbraw/zinc/81/83/25/1068818325.db2.gz MYMAVNLWFMZQLF-HXUWFJFHSA-N 0 0 457.299 4.712 20 0 JJADRN COc1ccc(CCNC(=O)c2cc3c(ccc(Br)c3F)[nH]2)cc1OC(F)F ZINC001464668773 1068818369 /nfs/dbraw/zinc/81/83/69/1068818369.db2.gz BVNWJUKGBLQBJZ-UHFFFAOYSA-N 0 0 457.246 4.652 20 0 JJADRN CN(CCC1CCCCC1)C(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001464669465 1068818482 /nfs/dbraw/zinc/81/84/82/1068818482.db2.gz QKGHAQWIWZGAIV-UHFFFAOYSA-N 0 0 456.446 4.964 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC001464674948 1068820242 /nfs/dbraw/zinc/82/02/42/1068820242.db2.gz DPLCSHXWYUNERM-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)c2ccccc21 ZINC001464674996 1068820488 /nfs/dbraw/zinc/82/04/88/1068820488.db2.gz RRRDGGMDOHPYNT-HNNXBMFYSA-N 0 0 457.470 4.610 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001464678430 1068821838 /nfs/dbraw/zinc/82/18/38/1068821838.db2.gz ZTBQFTFRPFBLSC-UHFFFAOYSA-N 0 0 453.967 4.628 20 0 JJADRN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001464678639 1068821961 /nfs/dbraw/zinc/82/19/61/1068821961.db2.gz UAWQRHYYGPQLBE-UHFFFAOYSA-N 0 0 457.702 4.872 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CCOCC1 ZINC001546148665 1068822005 /nfs/dbraw/zinc/82/20/05/1068822005.db2.gz ZRKSRLTUGOGNER-QFIPXVFZSA-N 0 0 470.658 4.868 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)cc12 ZINC001464683416 1068823838 /nfs/dbraw/zinc/82/38/38/1068823838.db2.gz KBORBSXYEJMHLQ-KRWDZBQOSA-N 0 0 454.596 4.691 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)s1 ZINC001464685966 1068825214 /nfs/dbraw/zinc/82/52/14/1068825214.db2.gz DKYWLIWUFIFEEQ-OAHLLOKOSA-N 0 0 450.402 4.801 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)NCC2(c3ccccc3C)CCCCC2)cc1C ZINC001464688598 1068825819 /nfs/dbraw/zinc/82/58/19/1068825819.db2.gz MHQORZHXZITTIG-UHFFFAOYSA-N 0 0 456.652 4.689 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(SC(F)(F)F)nc3)C2)cc1 ZINC001464692059 1068827026 /nfs/dbraw/zinc/82/70/26/1068827026.db2.gz MKOSRRXFSBGHNJ-OAHLLOKOSA-N 0 0 452.502 4.676 20 0 JJADRN O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001464694652 1068827390 /nfs/dbraw/zinc/82/73/90/1068827390.db2.gz MSDTYGALIUWXAL-AWEZNQCLSA-N 0 0 455.761 4.640 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001464693013 1068827564 /nfs/dbraw/zinc/82/75/64/1068827564.db2.gz HCCYRDDNIDDPAE-MOPGFXCFSA-N 0 0 452.661 4.772 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC001464695443 1068827891 /nfs/dbraw/zinc/82/78/91/1068827891.db2.gz STQBJEHLRWGIDG-AZUAARDMSA-N 0 0 459.365 4.939 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1)c1ccccc1 ZINC001464695407 1068828045 /nfs/dbraw/zinc/82/80/45/1068828045.db2.gz MSEFJWDCGNXTGC-KRWDZBQOSA-N 0 0 454.439 4.898 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@H](c3nc(-c4ccncc4)no3)C(C)C)cc2c1Br ZINC001464697384 1068828165 /nfs/dbraw/zinc/82/81/65/1068828165.db2.gz WFCZPCLONTYDFC-SFHVURJKSA-N 0 0 454.328 4.811 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001464699371 1068828729 /nfs/dbraw/zinc/82/87/29/1068828729.db2.gz ZMPPAYCUSAEJGB-IBGZPJMESA-N 0 0 459.436 4.970 20 0 JJADRN C[C@@]1(Cc2cccs2)CCCN1S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001464700960 1068829825 /nfs/dbraw/zinc/82/98/25/1068829825.db2.gz AVTWCNNSZHYLRT-KKSFZXQISA-N 0 0 456.029 4.603 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001464704661 1068831391 /nfs/dbraw/zinc/83/13/91/1068831391.db2.gz KTSMXLSDLTWNET-HHHXNRCGSA-N 0 0 456.546 4.538 20 0 JJADRN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)c1 ZINC001464707522 1068832552 /nfs/dbraw/zinc/83/25/52/1068832552.db2.gz CEIJDASORWOXNP-IRLDBZIGSA-N 0 0 470.978 4.585 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCOCC3)cc2)n1 ZINC001464707693 1068832834 /nfs/dbraw/zinc/83/28/34/1068832834.db2.gz WORDIKIHLKCWJC-OAQYLSRUSA-N 0 0 456.999 4.652 20 0 JJADRN O=C(c1ccc(C2CCCC2)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001464708335 1068833400 /nfs/dbraw/zinc/83/34/00/1068833400.db2.gz QRBZDMPJQASUSS-UHFFFAOYSA-N 0 0 453.029 4.596 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCn3nc(C(F)(F)F)cc3C2)cc1C(C)C ZINC001464710854 1068833835 /nfs/dbraw/zinc/83/38/35/1068833835.db2.gz ZVTUGGZJLWGGCK-UHFFFAOYSA-N 0 0 459.534 4.799 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21)c1cc(F)ccc1F ZINC001464714051 1068835092 /nfs/dbraw/zinc/83/50/92/1068835092.db2.gz KVTFRGGPTFMONA-FOIQADDNSA-N 0 0 457.502 4.615 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21)c1cc(F)ccc1F ZINC001464714067 1068835677 /nfs/dbraw/zinc/83/56/77/1068835677.db2.gz KVTFRGGPTFMONA-YWZLYKJASA-N 0 0 457.502 4.615 20 0 JJADRN COc1cc(=O)[nH]cc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001464715696 1068836059 /nfs/dbraw/zinc/83/60/59/1068836059.db2.gz CRPZVMRBUNIXLV-UHFFFAOYSA-N 0 0 451.866 4.936 20 0 JJADRN Cc1nc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)nc2ccccc12 ZINC001464714205 1068836085 /nfs/dbraw/zinc/83/60/85/1068836085.db2.gz MNQOOGZPPFLSTN-UHFFFAOYSA-N 0 0 457.481 4.551 20 0 JJADRN CN(CCc1ccccc1)CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001464715149 1068836358 /nfs/dbraw/zinc/83/63/58/1068836358.db2.gz FCKCDAXTMSMOFW-UHFFFAOYSA-N 0 0 456.468 4.809 20 0 JJADRN O=C(c1cnnn1-c1cc(Cl)ccc1Cl)N1CCC(Nc2ccccc2Cl)CC1 ZINC001464717641 1068836786 /nfs/dbraw/zinc/83/67/86/1068836786.db2.gz IKROYCHPNLZKNC-UHFFFAOYSA-N 0 0 450.757 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001464719068 1068837137 /nfs/dbraw/zinc/83/71/37/1068837137.db2.gz PBPQFVRRGZATIR-UQBPGWFLSA-N 0 0 456.970 4.649 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001464718978 1068837217 /nfs/dbraw/zinc/83/72/17/1068837217.db2.gz LHIHCHPJZPGMSG-UHFFFAOYSA-N 0 0 453.539 4.532 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2csc(Nc3ccccn3)n2)cc1OC ZINC001464721193 1068838061 /nfs/dbraw/zinc/83/80/61/1068838061.db2.gz CBKANPNWKXQFPV-SFHVURJKSA-N 0 0 452.580 4.926 20 0 JJADRN COC(=O)c1cc(F)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001464723306 1068838964 /nfs/dbraw/zinc/83/89/64/1068838964.db2.gz FXJAHZYTDJNNME-SFHVURJKSA-N 0 0 453.297 4.553 20 0 JJADRN CCCn1c2nnc(SCc3nnc(-c4ccccc4Br)o3)n2c2ccccc2c1=O ZINC000003375472 194307270 /nfs/dbraw/zinc/30/72/70/194307270.db2.gz LOZOHNRVIQFWGC-UHFFFAOYSA-N 0 0 497.378 4.559 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2csc(-c3ccccc3)n2)c1C ZINC000009125394 194549911 /nfs/dbraw/zinc/54/99/11/194549911.db2.gz NPCPATFQWGBSMR-JOCHJYFZSA-N 0 0 463.603 4.616 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2cccc(CN3CCCC3=O)c2)c2ccc(OC)cc2)cc1 ZINC000009112115 194532183 /nfs/dbraw/zinc/53/21/83/194532183.db2.gz ZJWGNDOPQBGMKJ-AREMUKBSSA-N 0 0 458.558 4.540 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H]3C(=O)Nc4ccccc4[C@H]3C2)cc1 ZINC001164407236 718857543 /nfs/dbraw/zinc/85/75/43/718857543.db2.gz YHNZOVMHBYHCDB-RTBURBONSA-N 0 0 483.902 4.906 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407203 718859391 /nfs/dbraw/zinc/85/93/91/718859391.db2.gz XPFCUGGTDLVHQE-DLBZAZTESA-N 0 0 456.880 4.523 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2CC(F)(F)[C@@H]2C1 ZINC001164410340 718869581 /nfs/dbraw/zinc/86/95/81/718869581.db2.gz ZFLGSNVQJKAKKM-BXUZGUMPSA-N 0 0 464.246 4.777 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419856 718889419 /nfs/dbraw/zinc/88/94/19/718889419.db2.gz RTSHVDPMYGJUHR-LBPRGKRZSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164420333 718889578 /nfs/dbraw/zinc/88/95/78/718889578.db2.gz UILHZAFMJOGXNS-ZDUSSCGKSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164417274 718890173 /nfs/dbraw/zinc/89/01/73/718890173.db2.gz IUFUQKGXHZTLQL-HNNXBMFYSA-N 0 0 494.727 4.816 20 0 JJADRN FC1(F)CO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164426310 718929513 /nfs/dbraw/zinc/92/95/13/718929513.db2.gz ZNYYWCVEFIIOJB-HOTGVXAUSA-N 0 0 462.591 4.876 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164430696 718952657 /nfs/dbraw/zinc/95/26/57/718952657.db2.gz WHSKADWVAVQIAZ-KRWDZBQOSA-N 0 0 484.374 4.935 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164430429 718952798 /nfs/dbraw/zinc/95/27/98/718952798.db2.gz UXVIBHGIBFNVCY-GOSISDBHSA-N 0 0 484.374 4.935 20 0 JJADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164434300 718976017 /nfs/dbraw/zinc/97/60/17/718976017.db2.gz PVSJCMHDNKUUCR-KBXCAEBGSA-N 0 0 480.726 4.683 20 0 JJADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001164433693 718980462 /nfs/dbraw/zinc/98/04/62/718980462.db2.gz MQOGKJXGBLURNS-NQIIRXRSSA-N 0 0 454.876 4.635 20 0 JJADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164432046 718980668 /nfs/dbraw/zinc/98/06/68/718980668.db2.gz FDTZOTRRRWBEPL-RXVVDRJESA-N 0 0 454.876 4.635 20 0 JJADRN Clc1ccc([C@H](OC2CCN(c3ccc(CN4CCOCC4)cn3)CC2)c2ccccn2)cc1 ZINC001164620187 719129422 /nfs/dbraw/zinc/12/94/22/719129422.db2.gz HRIVUAQTIZBTTA-MHZLTWQESA-N 0 0 479.024 4.737 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)c2ccccc21 ZINC001164636645 719139240 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494.920 4.978 20 0 JJADRN Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc1 ZINC001164671579 719511996 /nfs/dbraw/zinc/51/19/96/719511996.db2.gz GFZRGZRDFABFIE-UHFFFAOYSA-N 0 0 489.570 4.629 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2ncc(Cl)nc2-c2ccccc2)CC3)cc1 ZINC001164678579 719526099 /nfs/dbraw/zinc/52/60/99/719526099.db2.gz LWSAHYBCFVOUON-UHFFFAOYSA-N 0 0 452.961 4.808 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC3)cc1 ZINC001164679103 719531931 /nfs/dbraw/zinc/53/19/31/719531931.db2.gz SFESNUHVYOGBJA-UHFFFAOYSA-N 0 0 494.442 4.784 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1)N1CCCC1 ZINC001164679284 719544682 /nfs/dbraw/zinc/54/46/82/719544682.db2.gz WZVZZPHWJHXXKX-MAODMQOUSA-N 0 0 479.930 4.692 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C1)N1CCCC1 ZINC001164678084 719547962 /nfs/dbraw/zinc/54/79/62/719547962.db2.gz IUFHIHAVJYXIFB-JRGCBEDISA-N 0 0 467.988 4.934 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)cnc2Cl)c1 ZINC001164677652 719561879 /nfs/dbraw/zinc/56/18/79/719561879.db2.gz QMMAOHPEEBBQDE-JOCHJYFZSA-N 0 0 487.978 4.887 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)cs1 ZINC001164685939 719593316 /nfs/dbraw/zinc/59/33/16/719593316.db2.gz MZIDTLOFBJDECB-UHFFFAOYSA-N 0 0 477.968 4.755 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C[C@@H]2COc1cccnc1 ZINC001164683421 719597672 /nfs/dbraw/zinc/59/76/72/719597672.db2.gz FYEJWDLVEIYARO-CYBMUJFWSA-N 0 0 491.329 4.793 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C[C@H]2COc1cccnc1 ZINC001164686032 719598369 /nfs/dbraw/zinc/59/83/69/719598369.db2.gz NERKSUJEIPSNID-KRWDZBQOSA-N 0 0 482.922 4.653 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)C[C@@H]2COc1cccnc1 ZINC001164687014 719598466 /nfs/dbraw/zinc/59/84/66/719598466.db2.gz PZIRIWHCWQDQLI-OAHLLOKOSA-N 0 0 455.896 4.744 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C[C@@H]2COc1cccnc1 ZINC001164686039 719598987 /nfs/dbraw/zinc/59/89/87/719598987.db2.gz NERKSUJEIPSNID-QGZVFWFLSA-N 0 0 482.922 4.653 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1ccc3c(Cl)nccc3c1)C[C@@H]2COc1cccnc1 ZINC001164683639 719599620 /nfs/dbraw/zinc/59/96/20/719599620.db2.gz GYMMZFBERJXYNJ-MRXNPFEDSA-N 0 0 455.896 4.744 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164685375 719686771 /nfs/dbraw/zinc/68/67/71/719686771.db2.gz JLMRCFKBWOUCQA-UHFFFAOYSA-N 0 0 488.970 4.956 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)N1Cc1cccnc1 ZINC001164690781 719765100 /nfs/dbraw/zinc/76/51/00/719765100.db2.gz IFDSMQAEKILJDC-NHCUHLMSSA-N 0 0 454.908 4.722 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)N1Cc1cccnc1 ZINC001164691404 719773866 /nfs/dbraw/zinc/77/38/66/719773866.db2.gz OKRZTSIYUSQJSE-FGZHOGPDSA-N 0 0 484.934 4.634 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)N1Cc1cccnc1 ZINC001164691068 719774929 /nfs/dbraw/zinc/77/49/29/719774929.db2.gz KTZHTKHBQMEWDS-SFTDATJTSA-N 0 0 472.898 4.861 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164697039 719785173 /nfs/dbraw/zinc/78/51/73/719785173.db2.gz XQVZAVPHBWTYKN-UHFFFAOYSA-N 0 0 470.307 4.513 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164695186 719790290 /nfs/dbraw/zinc/79/02/90/719790290.db2.gz JVCSWZFSQGFQKF-UHFFFAOYSA-N 0 0 454.308 4.664 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164695948 719792942 /nfs/dbraw/zinc/79/29/42/719792942.db2.gz POGGMIZVZRAISC-UHFFFAOYSA-N 0 0 463.891 4.663 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc4nc(Cl)c(Cl)nc4c2)CC3)cn1 ZINC001164696921 719825828 /nfs/dbraw/zinc/82/58/28/719825828.db2.gz MCSLZAORBHLHIT-CYBMUJFWSA-N 0 0 468.335 4.758 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)n1 ZINC001164700055 719826543 /nfs/dbraw/zinc/82/65/43/719826543.db2.gz ZVDCFKXBDBGQFA-HXUWFJFHSA-N 0 0 488.661 4.697 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccccc4)nnc2Cl)CC3)cn1 ZINC001164695549 719826578 /nfs/dbraw/zinc/82/65/78/719826578.db2.gz FESAAQOIYZQBCH-KRWDZBQOSA-N 0 0 459.928 4.619 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5cnn(C)c5)CO4)CC3)c(Cl)nn2)c1 ZINC001164697622 719827072 /nfs/dbraw/zinc/82/70/72/719827072.db2.gz PTHRZMRDOYWTGE-GOSISDBHSA-N 0 0 473.955 4.927 20 0 JJADRN COC[C@H]1CN(C(F)(F)c2cc(-c3ccc(C(C)C)cc3)nnc2Cl)Cc2cn(C)nc21 ZINC001164695921 719833731 /nfs/dbraw/zinc/83/37/31/719833731.db2.gz QRKWXKVJZSFBMK-GOSISDBHSA-N 0 0 461.944 4.949 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC2)CN1c1ccccc1 ZINC001164694159 719836481 /nfs/dbraw/zinc/83/64/81/719836481.db2.gz FYZHSOXQUBKVHG-UHFFFAOYSA-N 0 0 493.341 4.884 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC2)CN1c1ccccc1 ZINC001164694633 719836869 /nfs/dbraw/zinc/83/68/69/719836869.db2.gz HOPAPBIONIQIAQ-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN Cn1cnc2c1cc(C1CCN([C@@H](F)Oc3ccc(Cl)nc3)CC1)nc2-c1cccnc1 ZINC001164702770 719881049 /nfs/dbraw/zinc/88/10/49/719881049.db2.gz PUPATYOQXVYBDY-HSZRJFAPSA-N 0 0 452.921 4.590 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)cnc2Cl)cc1 ZINC001164808706 720051610 /nfs/dbraw/zinc/05/16/10/720051610.db2.gz YMFFVGZHJLNPBW-NZQKXSOJSA-N 0 0 492.929 4.737 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164715784 720061315 /nfs/dbraw/zinc/06/13/15/720061315.db2.gz ULEZELFSSLKXBD-RBSFLKMASA-N 0 0 452.716 4.908 20 0 JJADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164714947 720078255 /nfs/dbraw/zinc/07/82/55/720078255.db2.gz XINYGOMSUCQWQA-RBUKOAKNSA-N 0 0 478.330 4.718 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)cs1 ZINC001164816892 720253638 /nfs/dbraw/zinc/25/36/38/720253638.db2.gz NONIEFYXQIMNME-RBUKOAKNSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)cs1 ZINC001164816888 720254009 /nfs/dbraw/zinc/25/40/09/720254009.db2.gz NONIEFYXQIMNME-MOPGFXCFSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)cs1 ZINC001164815607 720255462 /nfs/dbraw/zinc/25/54/62/720255462.db2.gz CUSHKYCCCJPGTP-OALUTQOASA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)cs1 ZINC001164815193 720255971 /nfs/dbraw/zinc/25/59/71/720255971.db2.gz BQPJZZCEXOMPJD-ZWKOTPCHSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)cs1 ZINC001164817670 720259847 /nfs/dbraw/zinc/25/98/47/720259847.db2.gz SIWQHWXNGVUPTP-VQTJNVASSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)cs1 ZINC001164816926 720260655 /nfs/dbraw/zinc/26/06/55/720260655.db2.gz NYAHCHKOAYAACP-MSOLQXFVSA-N 0 0 452.958 4.692 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)cs1 ZINC001164816929 720260746 /nfs/dbraw/zinc/26/07/46/720260746.db2.gz NYAHCHKOAYAACP-QZTJIDSGSA-N 0 0 452.958 4.692 20 0 JJADRN O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1)N1CCCC1 ZINC001164818617 720264404 /nfs/dbraw/zinc/26/44/04/720264404.db2.gz ZZUKVGHGGLIPBB-AWEZNQCLSA-N 0 0 480.346 4.542 20 0 JJADRN O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1)N1CCCC1 ZINC001164818755 720266470 /nfs/dbraw/zinc/26/64/70/720266470.db2.gz MPTCTNJQRVSQGO-QGZVFWFLSA-N 0 0 489.929 4.541 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC[C@@]5(CCN(CC6CC6)C5=O)C4)c23)C1 ZINC001164820291 720281030 /nfs/dbraw/zinc/28/10/30/720281030.db2.gz VKPGPFOFJZZYBF-WHLCRQNOSA-N 0 0 493.721 4.641 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001164817255 720282543 /nfs/dbraw/zinc/28/25/43/720282543.db2.gz BSKJNYQNRCRJPW-HHHXNRCGSA-N 0 0 475.662 4.649 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164725995 720312320 /nfs/dbraw/zinc/31/23/20/720312320.db2.gz XHIVBAYIDBXRQZ-NRFANRHFSA-N 0 0 473.955 4.964 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731042 720367157 /nfs/dbraw/zinc/36/71/57/720367157.db2.gz YISFAQBMZJHLSV-ZWKOTPCHSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822882 720388137 /nfs/dbraw/zinc/38/81/37/720388137.db2.gz MRNXHEOCUQTNSB-JZXOWHBKSA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822923 720389052 /nfs/dbraw/zinc/38/90/52/720389052.db2.gz NDBTVCOOIGHBKH-NSHGMRRFSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822924 720389114 /nfs/dbraw/zinc/38/91/14/720389114.db2.gz NDBTVCOOIGHBKH-QWFCFKBJSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822961 720391656 /nfs/dbraw/zinc/39/16/56/720391656.db2.gz NZRALPUNKZSBCH-MQFRRQCYSA-N 0 0 490.988 4.642 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820917 720393014 /nfs/dbraw/zinc/39/30/14/720393014.db2.gz DDULJMZRDLYVCF-LMMKCTJWSA-N 0 0 455.958 4.573 20 0 JJADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164826936 720395597 /nfs/dbraw/zinc/39/55/97/720395597.db2.gz FGDCNVPVAJXHIN-LJQANCHMSA-N 0 0 453.871 4.898 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)O2)n1 ZINC001164828089 720404337 /nfs/dbraw/zinc/40/43/37/720404337.db2.gz HQIJEYFCFHXOOQ-ZNMIVQPWSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccs4)nnc3Cl)O2)n1 ZINC001164826168 720408480 /nfs/dbraw/zinc/40/84/80/720408480.db2.gz CPPMXLZZPVYYTO-KKUMJFAQSA-N 0 0 453.902 4.594 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828737 720409389 /nfs/dbraw/zinc/40/93/89/720409389.db2.gz KRAFZYNMQQUPIJ-UFYCRDLUSA-N 0 0 476.606 4.610 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](c5nc(C)no5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164828826 720411640 /nfs/dbraw/zinc/41/16/40/720411640.db2.gz LKSDECOMDSGULJ-QYZOEREBSA-N 0 0 477.899 4.541 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](c5nc(C)no5)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164831123 720411751 /nfs/dbraw/zinc/41/17/51/720411751.db2.gz VTDXOEHZXJIDQO-FHWLQOOXSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)O2)n1 ZINC001164828752 720412002 /nfs/dbraw/zinc/41/20/02/720412002.db2.gz KUBORUSNGRRWMR-BZSNNMDCSA-N 0 0 465.863 4.671 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]21 ZINC001164822538 720423067 /nfs/dbraw/zinc/42/30/67/720423067.db2.gz DSWFDWREVIWXOV-QINHECLXSA-N 0 0 481.946 4.700 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730557 720484862 /nfs/dbraw/zinc/48/48/62/720484862.db2.gz UDNVYGKVWVEBGU-FGZHOGPDSA-N 0 0 455.940 4.899 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164725308 720485024 /nfs/dbraw/zinc/48/50/24/720485024.db2.gz JLZQJFMQVWNLMR-RTWAWAEBSA-N 0 0 459.903 4.729 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726391 720485411 /nfs/dbraw/zinc/48/54/11/720485411.db2.gz LUUGHQBYEQDOPV-FCHUYYIVSA-N 0 0 455.940 4.899 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725274 720486489 /nfs/dbraw/zinc/48/64/89/720486489.db2.gz JCRKUNUDLWOTGG-SFTDATJTSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc(Cl)nc2Cl)C3)c1 ZINC001164730572 720490427 /nfs/dbraw/zinc/49/04/27/720490427.db2.gz UNFAAQWJXYWKIL-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cnc(Cl)c(Cl)c2)C3)c1 ZINC001164723904 720490523 /nfs/dbraw/zinc/49/05/23/720490523.db2.gz DITKUBMAIPOQAP-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164728245 720491251 /nfs/dbraw/zinc/49/12/51/720491251.db2.gz OPBKEBQFGRYOLK-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2Cl)C3)c1 ZINC001164730183 720491319 /nfs/dbraw/zinc/49/13/19/720491319.db2.gz SQQPXBWKBVJXEM-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc(Cl)c4ccccc4n2)C3)c1 ZINC001164732406 720491465 /nfs/dbraw/zinc/49/14/65/720491465.db2.gz ZZAJYPSXVBNVED-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164728247 720491640 /nfs/dbraw/zinc/49/16/40/720491640.db2.gz OPBKEBQFGRYOLK-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2nc4ccsc4c(Cl)n2)C3)c1 ZINC001164724491 720492097 /nfs/dbraw/zinc/49/20/97/720492097.db2.gz GNSOYVNYALYKAS-SZNDQCEHSA-N 0 0 498.958 4.753 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)C3)c1 ZINC001164722441 720492418 /nfs/dbraw/zinc/49/24/18/720492418.db2.gz AMMRRLUEWJXLNT-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164727570 720496554 /nfs/dbraw/zinc/49/65/54/720496554.db2.gz NLAPQKYDFWMRNH-VGSWGCGISA-N 0 0 481.946 4.718 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@H]21)N1CCCCC1 ZINC001164832506 720498700 /nfs/dbraw/zinc/49/87/00/720498700.db2.gz JJDFPZPGCNEEPH-GMBSWORKSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164834466 720499611 /nfs/dbraw/zinc/49/96/11/720499611.db2.gz SHWPSONEQUFOAG-QFUCXCTJSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164834465 720499806 /nfs/dbraw/zinc/49/98/06/720499806.db2.gz SHWPSONEQUFOAG-LMNJBCLMSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164831067 720500363 /nfs/dbraw/zinc/50/03/63/720500363.db2.gz FGDWDXOVHWZNAC-ALKREAHSSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164831074 720500416 /nfs/dbraw/zinc/50/04/16/720500416.db2.gz FGDWDXOVHWZNAC-QOKNQOGYSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@H]21)N1CCCCC1 ZINC001164833512 720501047 /nfs/dbraw/zinc/50/10/47/720501047.db2.gz PJEBYXNILZRAHF-ZCNNSNEGSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]21)N1CCCCC1 ZINC001164835634 720501086 /nfs/dbraw/zinc/50/10/86/720501086.db2.gz ZIBADHBOOKOMIP-HBFSDRIKSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21)N1CCCCC1 ZINC001164833509 720501591 /nfs/dbraw/zinc/50/15/91/720501591.db2.gz PJEBYXNILZRAHF-AABGKKOBSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164730138 720502372 /nfs/dbraw/zinc/50/23/72/720502372.db2.gz SPQSWIRKBDQMPM-KBXCAEBGSA-N 0 0 477.726 4.606 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164833975 720502571 /nfs/dbraw/zinc/50/25/71/720502571.db2.gz DZBBYYGMDRVNIO-MDZRGWNJSA-N 0 0 497.011 4.647 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164730726 720504470 /nfs/dbraw/zinc/50/44/70/720504470.db2.gz NEZTXAHYHOTPIV-OFNKIYASSA-N 0 0 476.955 4.568 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734689 720539346 /nfs/dbraw/zinc/53/93/46/720539346.db2.gz KJVDXIZKRKBCGQ-PGRDOPGGSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733635 720540723 /nfs/dbraw/zinc/54/07/23/720540723.db2.gz DFEMBIVHODGEDY-MBSDFSHPSA-N 0 0 487.938 4.586 20 0 JJADRN Nc1cc(Cl)nc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC001164843470 720744804 /nfs/dbraw/zinc/74/48/04/720744804.db2.gz KWGDMJWVAPSEBP-UHFFFAOYSA-N 0 0 472.923 4.649 20 0 JJADRN CC[C@@H]1N(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CCC[C@]12CCC(=O)N2 ZINC001164849555 720754415 /nfs/dbraw/zinc/75/44/15/720754415.db2.gz UBNBAWBOSRBKEF-MBSDFSHPSA-N 0 0 477.939 4.761 20 0 JJADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccccc1 ZINC001164846108 720766596 /nfs/dbraw/zinc/76/65/96/720766596.db2.gz HKAWKPFBZAZZGY-ZWKOTPCHSA-N 0 0 455.896 4.511 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164843973 720771314 /nfs/dbraw/zinc/77/13/14/720771314.db2.gz BCQMSGUBIBQJMV-XIRDDKMYSA-N 0 0 466.941 4.628 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)c2c1C ZINC001164846254 720777297 /nfs/dbraw/zinc/77/72/97/720777297.db2.gz IJCCEHOGGVYYFX-ZLNRFVROSA-N 0 0 493.677 4.642 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)c2c1C ZINC001164846257 720777574 /nfs/dbraw/zinc/77/75/74/720777574.db2.gz IJCCEHOGGVYYFX-ZRBLBEILSA-N 0 0 493.677 4.642 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845959 720779635 /nfs/dbraw/zinc/77/96/35/720779635.db2.gz GUHUISIHYFBCTN-PVAVHDDUSA-N 0 0 460.308 4.551 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845961 720779654 /nfs/dbraw/zinc/77/96/54/720779654.db2.gz GUHUISIHYFBCTN-XIRDDKMYSA-N 0 0 460.308 4.551 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)C2=O)c1 ZINC001164851956 720808578 /nfs/dbraw/zinc/80/85/78/720808578.db2.gz LXRWFWATFDNGMS-HSZRJFAPSA-N 0 0 472.923 4.872 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164848086 720810451 /nfs/dbraw/zinc/81/04/51/720810451.db2.gz CBRZWZVFFLRRRD-WMLDXEAASA-N 0 0 463.315 4.576 20 0 JJADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nc3C(=O)OC)cc1)C2 ZINC001164846706 720827205 /nfs/dbraw/zinc/82/72/05/720827205.db2.gz GCYGNSZRLRSQEW-AUSIDOKSSA-N 0 0 480.939 4.755 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)CC1 ZINC001164858579 720894915 /nfs/dbraw/zinc/89/49/15/720894915.db2.gz LRXVWTDFBPQLEG-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)CC1 ZINC001164857921 720894966 /nfs/dbraw/zinc/89/49/66/720894966.db2.gz KUMVKMIFZJSCPM-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1)c1ccccc1 ZINC001164858744 720898442 /nfs/dbraw/zinc/89/84/42/720898442.db2.gz OOXNEYXNWJZTCQ-HJPURHCSSA-N 0 0 490.913 4.525 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164861766 720899486 /nfs/dbraw/zinc/89/94/86/720899486.db2.gz YRHKCFNPGDCCGK-HRAATJIYSA-N 0 0 467.969 4.560 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164861795 720899612 /nfs/dbraw/zinc/89/96/12/720899612.db2.gz YRHKCFNPGDCCGK-KKSFZXQISA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1)c1ccccc1 ZINC001164863734 720899858 /nfs/dbraw/zinc/89/98/58/720899858.db2.gz YUEKJOSAISSJAK-MHECFPHRSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1)c1ccccc1 ZINC001164859839 720902511 /nfs/dbraw/zinc/90/25/11/720902511.db2.gz QDCYDOVBMLCQCJ-OFVILXPXSA-N 0 0 498.961 4.900 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164759309 720979405 /nfs/dbraw/zinc/97/94/05/720979405.db2.gz ZYQRSSVCAQVOBG-KRWDZBQOSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164757961 720982630 /nfs/dbraw/zinc/98/26/30/720982630.db2.gz RLQMVIBRDCCQGB-KRWDZBQOSA-N 0 0 459.928 4.601 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164759406 721009377 /nfs/dbraw/zinc/00/93/77/721009377.db2.gz MGISWPGMFDWAPD-VSKRKVRLSA-N 0 0 475.898 4.901 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164757278 721026349 /nfs/dbraw/zinc/02/63/49/721026349.db2.gz CXTPOBONFVDIJG-HTAPYJJXSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164759124 721026942 /nfs/dbraw/zinc/02/69/42/721026942.db2.gz KXLZDSGRUOACPD-XMSQKQJNSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164765431 721027229 /nfs/dbraw/zinc/02/72/29/721027229.db2.gz PIMNGSJRVXBXKL-MGPUTAFESA-N 0 0 466.941 4.629 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164765961 721028327 /nfs/dbraw/zinc/02/83/27/721028327.db2.gz PWRSCCRFHSDKEO-GCJKJVERSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]2C1=O ZINC001164859482 721029315 /nfs/dbraw/zinc/02/93/15/721029315.db2.gz INUWTWALXNQHBO-QLFBSQMISA-N 0 0 496.813 4.934 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164770248 721031119 /nfs/dbraw/zinc/03/11/19/721031119.db2.gz XGTUISLIYNMXMP-GVXSCFBNSA-N 0 0 484.959 4.664 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]2C1=O ZINC001164863622 721031278 /nfs/dbraw/zinc/03/12/78/721031278.db2.gz UMNYSACRYBNNHC-HOJAQTOUSA-N 0 0 467.988 4.505 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164864449 721034221 /nfs/dbraw/zinc/03/42/21/721034221.db2.gz ZPMHLXBNYSDZGZ-UHFFFAOYSA-N 0 0 468.939 4.759 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164862005 721034723 /nfs/dbraw/zinc/03/47/23/721034723.db2.gz JTNAHGYYWDYFAT-UHFFFAOYSA-N 0 0 460.960 4.832 20 0 JJADRN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164767694 721040764 /nfs/dbraw/zinc/04/07/64/721040764.db2.gz SIMURMDTTHNMQK-UXHICEINSA-N 0 0 463.960 4.555 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)[C@H]2COCc1ccccc1 ZINC001164758894 721047547 /nfs/dbraw/zinc/04/75/47/721047547.db2.gz CZOAJCWUWATREQ-SFHVURJKSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(SC)c(Cl)n1)[C@H]2COCc1ccccc1 ZINC001164768211 721048646 /nfs/dbraw/zinc/04/86/46/721048646.db2.gz ICGBLVFIEUFMMB-KRWDZBQOSA-N 0 0 479.984 4.934 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)n1 ZINC001164765248 721053560 /nfs/dbraw/zinc/05/35/60/721053560.db2.gz COCMZZXSGPZRKM-IAGOWNOFSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)n1 ZINC001164771517 721055299 /nfs/dbraw/zinc/05/52/99/721055299.db2.gz MIDYSPHYRYTNCV-XZOQPEGZSA-N 0 0 498.961 4.942 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773704 721055765 /nfs/dbraw/zinc/05/57/65/721055765.db2.gz SWAMVRUMEYXYHU-XZOQPEGZSA-N 0 0 498.656 4.503 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773694 721056060 /nfs/dbraw/zinc/05/60/60/721056060.db2.gz SWAMVRUMEYXYHU-GOTSBHOMSA-N 0 0 498.656 4.503 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)n1 ZINC001164771032 721056346 /nfs/dbraw/zinc/05/63/46/721056346.db2.gz LLJTUTPFIKDVBF-NHCUHLMSSA-N 0 0 484.934 4.910 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164770922 721058813 /nfs/dbraw/zinc/05/88/13/721058813.db2.gz LHARJWJWCMCSDX-JPYJTQIMSA-N 0 0 477.939 4.785 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164764858 721061844 /nfs/dbraw/zinc/06/18/44/721061844.db2.gz BRMWRBPZPAAMIB-QRWLVFNGSA-N 0 0 450.942 4.914 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164876007 721220609 /nfs/dbraw/zinc/22/06/09/721220609.db2.gz ZBVSGXNCHCQZTG-UHFFFAOYSA-N 0 0 480.346 4.752 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]32)N=C1C ZINC001164875825 721233309 /nfs/dbraw/zinc/23/33/09/721233309.db2.gz XIIUWZJHUGEGJM-NFHUAXAMSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]32)N=C1C ZINC001164875731 721233325 /nfs/dbraw/zinc/23/33/25/721233325.db2.gz WLNNONBFMOTXDH-MEKIYTOJSA-N 0 0 488.966 4.724 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(OC)c5)c4)C[C@@H]32)N=C1C ZINC001164870636 721236381 /nfs/dbraw/zinc/23/63/81/721236381.db2.gz AGDLLWCGLAJQON-CODAWKSHSA-N 0 0 488.966 4.821 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164874031 721243034 /nfs/dbraw/zinc/24/30/34/721243034.db2.gz SDYLDCKEVDOILO-WNSKOXEYSA-N 0 0 457.937 4.629 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCn4c(COCC5CC5)cnc4[C@H]3C)nc(Cl)c2c1 ZINC001164872160 721243187 /nfs/dbraw/zinc/24/31/87/721243187.db2.gz KJIVPGUPVMIJEQ-CYBMUJFWSA-N 0 0 463.916 4.541 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164872359 721247227 /nfs/dbraw/zinc/24/72/27/721247227.db2.gz DCNQZXGSSLCJRA-FCEUIQTBSA-N 0 0 472.923 4.942 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)c2c1C ZINC001164875006 721250792 /nfs/dbraw/zinc/25/07/92/721250792.db2.gz LGVOSHWUWJVIMY-FSSWDIPSSA-N 0 0 479.650 4.504 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164880117 721251366 /nfs/dbraw/zinc/25/13/66/721251366.db2.gz ZPNMNNJXJVGNNM-NNWRFLSQSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)O1)c1ccccc1 ZINC001164879767 721256796 /nfs/dbraw/zinc/25/67/96/721256796.db2.gz YPXXZKMJWTVRAX-KKSFZXQISA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)O1)c1ccccc1 ZINC001164879272 721258204 /nfs/dbraw/zinc/25/82/04/721258204.db2.gz XPRKZDXGKNAOQK-KOSHJBKYSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)O1)c1ccccc1 ZINC001164873268 721258513 /nfs/dbraw/zinc/25/85/13/721258513.db2.gz HGXFBMYBCCGCCR-KOSHJBKYSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)O1)c1ccccc1 ZINC001164879310 721259542 /nfs/dbraw/zinc/25/95/42/721259542.db2.gz XXHNIFUHOIFKRJ-REWPJTCUSA-N 0 0 475.967 4.803 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)O1)c1ccccc1 ZINC001164879308 721259905 /nfs/dbraw/zinc/25/99/05/721259905.db2.gz XXHNIFUHOIFKRJ-OFNKIYASSA-N 0 0 475.967 4.803 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164768643 721269694 /nfs/dbraw/zinc/26/96/94/721269694.db2.gz VWUXJDQXTQKIMJ-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164763689 721270446 /nfs/dbraw/zinc/27/04/46/721270446.db2.gz FDDSYXCHUADWBD-UHFFFAOYSA-N 0 0 455.896 4.831 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765363 721270456 /nfs/dbraw/zinc/27/04/56/721270456.db2.gz KMJQQNKGRYRJJB-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164764943 721271028 /nfs/dbraw/zinc/27/10/28/721271028.db2.gz IKGRQPLTUWXIPO-UHFFFAOYSA-N 0 0 467.303 4.883 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767070 721275250 /nfs/dbraw/zinc/27/52/50/721275250.db2.gz FIHPTIAOUIJNMS-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164766284 721277648 /nfs/dbraw/zinc/27/76/48/721277648.db2.gz BOOLSHYHHOSGMB-KRWDZBQOSA-N 0 0 473.955 4.856 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164879686 721297898 /nfs/dbraw/zinc/29/78/98/721297898.db2.gz ZHFCTZKCUBQTTK-QRWLVFNGSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164879684 721298009 /nfs/dbraw/zinc/29/80/09/721298009.db2.gz ZHFCTZKCUBQTTK-FOIQADDNSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]2C1 ZINC001164873860 721298020 /nfs/dbraw/zinc/29/80/20/721298020.db2.gz CCNVULDNYOCAFP-LPHOPBHVSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164879687 721298090 /nfs/dbraw/zinc/29/80/90/721298090.db2.gz ZHFCTZKCUBQTTK-YWZLYKJASA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]2C1 ZINC001164878356 721300101 /nfs/dbraw/zinc/30/01/01/721300101.db2.gz KVYKDHVZZKFAIV-HNAYVOBHSA-N 0 0 467.969 4.586 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164877759 721300310 /nfs/dbraw/zinc/30/03/10/721300310.db2.gz JRKDHDQDWZTZQT-IERDGZPVSA-N 0 0 496.023 4.978 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880834 721312949 /nfs/dbraw/zinc/31/29/49/721312949.db2.gz SQAJBGXPOQXEAF-RRQGHBQHSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164876945 721313186 /nfs/dbraw/zinc/31/31/86/721313186.db2.gz HMMOFDDYQPADQL-FSPWUOQZSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881103 721314523 /nfs/dbraw/zinc/31/45/23/721314523.db2.gz USLYWMLEFBIGSK-ZLGUVYLKSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881098 721314816 /nfs/dbraw/zinc/31/48/16/721314816.db2.gz USLYWMLEFBIGSK-ORYQWCPZSA-N 0 0 472.923 4.800 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4cccnc4)n2)CC3)cc1 ZINC001164777561 721315847 /nfs/dbraw/zinc/31/58/47/721315847.db2.gz LCSQOAQONLEXBM-UHFFFAOYSA-N 0 0 482.897 4.938 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164879315 721316030 /nfs/dbraw/zinc/31/60/30/721316030.db2.gz RLXYVSJLGFPZDV-ZAAXVRCTSA-N 0 0 461.896 4.998 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164879882 721318466 /nfs/dbraw/zinc/31/84/66/721318466.db2.gz UCHYQDLRPHFWKA-QGZVFWFLSA-N 0 0 474.964 4.904 20 0 JJADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164873685 721325784 /nfs/dbraw/zinc/32/57/84/721325784.db2.gz ADIADDVNYUTABR-UHFFFAOYSA-N 0 0 464.731 4.769 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164776172 721325959 /nfs/dbraw/zinc/32/59/59/721325959.db2.gz CNZMZVJTWVXJBK-OAHLLOKOSA-N 0 0 464.875 4.569 20 0 JJADRN CN(C)C1=NOC2(C1)CCN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164876285 721326811 /nfs/dbraw/zinc/32/68/11/721326811.db2.gz NIWNWFACPKEWQD-UHFFFAOYSA-N 0 0 490.677 4.979 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164778076 721327501 /nfs/dbraw/zinc/32/75/01/721327501.db2.gz UGGXHJWQBZEJES-MRXNPFEDSA-N 0 0 453.892 4.596 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001164776018 721328068 /nfs/dbraw/zinc/32/80/68/721328068.db2.gz BWXVYQRKBKHAGT-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2)N1CC=CC1 ZINC001164777339 721328706 /nfs/dbraw/zinc/32/87/06/721328706.db2.gz MBUFHVKRZXCUHV-UHFFFAOYSA-N 0 0 496.027 4.936 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)n1 ZINC001164876739 721328988 /nfs/dbraw/zinc/32/89/88/721328988.db2.gz PTQAZCWTIQWPGD-UHFFFAOYSA-N 0 0 498.722 4.739 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164874718 721329734 /nfs/dbraw/zinc/32/97/34/721329734.db2.gz IPSAPHMEPWWWOH-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)cc3Cl)C2)cs1 ZINC001164877934 721330713 /nfs/dbraw/zinc/33/07/13/721330713.db2.gz XVVWZSWFARQMGS-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)cs1 ZINC001164874709 721333024 /nfs/dbraw/zinc/33/30/24/721333024.db2.gz IIGSUYANBIZZFU-HNNXBMFYSA-N 0 0 479.984 4.972 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776562 721334103 /nfs/dbraw/zinc/33/41/03/721334103.db2.gz GKPCRBVHEHNUKE-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164882892 721344889 /nfs/dbraw/zinc/34/48/89/721344889.db2.gz IOKGSTXGEYVBLF-NZQKXSOJSA-N 0 0 479.930 4.598 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164882894 721345127 /nfs/dbraw/zinc/34/51/27/721345127.db2.gz IOKGSTXGEYVBLF-REWPJTCUSA-N 0 0 479.930 4.598 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)N1c1ccsc1 ZINC001164884138 721356571 /nfs/dbraw/zinc/35/65/71/721356571.db2.gz UABIFASYIVWSPT-UONOGXRCSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786124 721356629 /nfs/dbraw/zinc/35/66/29/721356629.db2.gz WJBRLENRBMDMJQ-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885837 721357967 /nfs/dbraw/zinc/35/79/67/721357967.db2.gz ZVVOOLCJKKGQST-MOPGFXCFSA-N 0 0 467.664 4.740 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)N1c1ccsc1 ZINC001164883725 721358376 /nfs/dbraw/zinc/35/83/76/721358376.db2.gz RQBHHAFBUXEUNN-GJZGRUSLSA-N 0 0 452.939 4.849 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885273 721358765 /nfs/dbraw/zinc/35/87/65/721358765.db2.gz XRJRLZCRBVNBCK-QZTJIDSGSA-N 0 0 455.653 4.596 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(Cl)nn1 ZINC001164885665 721359923 /nfs/dbraw/zinc/35/99/23/721359923.db2.gz YEWXBVLQZURCGN-ZWKOTPCHSA-N 0 0 476.936 4.796 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782547 721375116 /nfs/dbraw/zinc/37/51/16/721375116.db2.gz MELRUMLBHKKLGX-VWLOTQADSA-N 0 0 474.049 4.902 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787023 721375592 /nfs/dbraw/zinc/37/55/92/721375592.db2.gz WZGDDDIPISTQCN-FQEVSTJZSA-N 0 0 472.989 4.597 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780197 721382947 /nfs/dbraw/zinc/38/29/47/721382947.db2.gz FORFNGWEBYAEGY-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779656 721383419 /nfs/dbraw/zinc/38/34/19/721383419.db2.gz BYBQWDJOXXBGDD-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164784534 721383427 /nfs/dbraw/zinc/38/34/27/721383427.db2.gz PYMZILCPQMFFOV-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164781437 721384385 /nfs/dbraw/zinc/38/43/85/721384385.db2.gz JRAMZSOQJVRJJN-VGSWGCGISA-N 0 0 462.928 4.749 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl ZINC001164782489 721384929 /nfs/dbraw/zinc/38/49/29/721384929.db2.gz MADSNEJWGHSYTG-DYESRHJHSA-N 0 0 469.985 4.989 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl ZINC001164782493 721385000 /nfs/dbraw/zinc/38/50/00/721385000.db2.gz MADSNEJWGHSYTG-UTKZUKDTSA-N 0 0 469.985 4.989 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779711 721385426 /nfs/dbraw/zinc/38/54/26/721385426.db2.gz CFUZNZNOHLQOBQ-XMSQKQJNSA-N 0 0 462.928 4.749 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)c1 ZINC001164783851 721385463 /nfs/dbraw/zinc/38/54/63/721385463.db2.gz PSXMYVBDWOFPDR-UTKZUKDTSA-N 0 0 469.985 4.989 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164783357 721431531 /nfs/dbraw/zinc/43/15/31/721431531.db2.gz IKNQVLQDJOLTFK-QZTJIDSGSA-N 0 0 476.980 4.884 20 0 JJADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164781228 721433590 /nfs/dbraw/zinc/43/35/90/721433590.db2.gz CNKVQYFGIDUZAX-OYRHEFFESA-N 0 0 455.587 4.961 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164781852 721438823 /nfs/dbraw/zinc/43/88/23/721438823.db2.gz GYCZFNUUMXSGKX-CALCHBBNSA-N 0 0 461.969 4.675 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164781311 721440864 /nfs/dbraw/zinc/44/08/64/721440864.db2.gz FKQLFBGBJHPZTF-OAQYLSRUSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164785771 721441819 /nfs/dbraw/zinc/44/18/19/721441819.db2.gz STYQTKQYICAJBO-QFIPXVFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(C)nc(Cl)c2)CCO3)cs1 ZINC001164787419 721442785 /nfs/dbraw/zinc/44/27/85/721442785.db2.gz XAQJVYRHGIUELH-JXFKEZNVSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)nc2Cl)CCO3)cs1 ZINC001164785815 721442840 /nfs/dbraw/zinc/44/28/40/721442840.db2.gz SYHREDUYIVEQIX-ACJLOTCBSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)nc2Cl)CCO3)cs1 ZINC001164785832 721442945 /nfs/dbraw/zinc/44/29/45/721442945.db2.gz SYHREDUYIVEQIX-SCLBCKFNSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ncc2Cl)CCO3)cs1 ZINC001164785645 721443654 /nfs/dbraw/zinc/44/36/54/721443654.db2.gz SIJYJSXAHCDRDB-SCLBCKFNSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)cc2C)CCO3)cs1 ZINC001164781019 721444108 /nfs/dbraw/zinc/44/41/08/721444108.db2.gz FEULXDZLVRNQIA-OXJNMPFZSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CCO3)cs1 ZINC001164787237 721444516 /nfs/dbraw/zinc/44/45/16/721444516.db2.gz WNXRJUTWUPWLDB-OXQOHEQNSA-N 0 0 472.989 4.649 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)COc2cccc(Cl)n2)CCO3)cs1 ZINC001164786571 721444564 /nfs/dbraw/zinc/44/45/64/721444564.db2.gz VRNZQLXSNPCNJA-OXQOHEQNSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CCO3)cs1 ZINC001164780886 721445036 /nfs/dbraw/zinc/44/50/36/721445036.db2.gz CLUJBVNMXDLBIJ-VBKZILBWSA-N 0 0 483.972 4.513 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164884937 721460090 /nfs/dbraw/zinc/46/00/90/721460090.db2.gz CWAJKRCQPGFMDB-UFYCRDLUSA-N 0 0 453.961 4.590 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)cnc2Cl)c1 ZINC001164886616 721460466 /nfs/dbraw/zinc/46/04/66/721460466.db2.gz HZEJOAQSKALWHP-QHAWAJNXSA-N 0 0 461.940 4.518 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2=O)cs1 ZINC001164889672 721460736 /nfs/dbraw/zinc/46/07/36/721460736.db2.gz PCWDWZUVAUNYKN-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)C2=O)cs1 ZINC001164886665 721460923 /nfs/dbraw/zinc/46/09/23/721460923.db2.gz IEPVISQRKFHBJF-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)C2=O)cs1 ZINC001164885549 721461140 /nfs/dbraw/zinc/46/11/40/721461140.db2.gz FMLTUESGOISNDP-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2=O)cs1 ZINC001164891788 721462400 /nfs/dbraw/zinc/46/24/00/721462400.db2.gz NZTZXEOPHMWZFY-OAQYLSRUSA-N 0 0 466.985 4.941 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)CC[C@@H]21 ZINC001164891689 721464388 /nfs/dbraw/zinc/46/43/88/721464388.db2.gz NJDZVNNITZTVDY-UZLBHIALSA-N 0 0 487.982 4.917 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)CC[C@H]21 ZINC001164891688 721464566 /nfs/dbraw/zinc/46/45/66/721464566.db2.gz NJDZVNNITZTVDY-OXQOHEQNSA-N 0 0 487.982 4.917 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]21 ZINC001164887618 721465421 /nfs/dbraw/zinc/46/54/21/721465421.db2.gz CYGIMMVWWQMWQP-SJBKTWHCSA-N 0 0 495.737 4.885 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164891266 721470509 /nfs/dbraw/zinc/47/05/09/721470509.db2.gz MKCRPTCKGNBSIH-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC2)C1=O ZINC001164891055 721473522 /nfs/dbraw/zinc/47/35/22/721473522.db2.gz ALNWCYRRFPXBPL-UHFFFAOYSA-N 0 0 472.923 4.509 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1Cl ZINC001164895530 721473527 /nfs/dbraw/zinc/47/35/27/721473527.db2.gz SCLYCFIFOQUBBD-UHFFFAOYSA-N 0 0 451.970 4.803 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164891443 721474672 /nfs/dbraw/zinc/47/46/72/721474672.db2.gz CHSFVMOQNYWOTM-QFIPXVFZSA-N 0 0 475.902 4.524 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164894604 721474963 /nfs/dbraw/zinc/47/49/63/721474963.db2.gz OMMQNQLCODVKNI-HSZRJFAPSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164894605 721475039 /nfs/dbraw/zinc/47/50/39/721475039.db2.gz OMMQNQLCODVKNI-QHCPKHFHSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164891059 721475454 /nfs/dbraw/zinc/47/54/54/721475454.db2.gz ALOMHTAFMYYXMX-QHCPKHFHSA-N 0 0 456.924 4.990 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)Cc2cnn(C)c21 ZINC001164793704 721478690 /nfs/dbraw/zinc/47/86/90/721478690.db2.gz XXZIYFBGBWXMEG-KRWDZBQOSA-N 0 0 462.928 4.829 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)cnc2Cl)c1 ZINC001164792633 721484263 /nfs/dbraw/zinc/48/42/63/721484263.db2.gz ODLPCZDEHLVBRG-FCEUIQTBSA-N 0 0 491.966 4.651 20 0 JJADRN O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2)NCC1CC1 ZINC001164894761 721485054 /nfs/dbraw/zinc/48/50/54/721485054.db2.gz IDFLNXUVNMGUQJ-MBSDFSHPSA-N 0 0 496.385 4.969 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164791820 721485649 /nfs/dbraw/zinc/48/56/49/721485649.db2.gz FKILPHWSIPSNSV-ODXCJYRJSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164792070 721486877 /nfs/dbraw/zinc/48/68/77/721486877.db2.gz GELXDXGUTWPVTK-RBZFPXEDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164793935 721487592 /nfs/dbraw/zinc/48/75/92/721487592.db2.gz YJLXAMNCVXSNSA-BTDLBPIBSA-N 0 0 468.690 4.653 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164793534 721488585 /nfs/dbraw/zinc/48/85/85/721488585.db2.gz SJEINHGPGJDOIH-HXOBKFHXSA-N 0 0 490.913 4.716 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)c(Cl)nn1 ZINC001164792507 721488749 /nfs/dbraw/zinc/48/87/49/721488749.db2.gz JWTBQAVXTXXPBY-FPTDNZKUSA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164897949 721491147 /nfs/dbraw/zinc/49/11/47/721491147.db2.gz FSQYSEMGSDFXGD-INIZCTEOSA-N 0 0 494.945 4.525 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164901887 721491296 /nfs/dbraw/zinc/49/12/96/721491296.db2.gz XDAYALPSWPIKFE-OAHLLOKOSA-N 0 0 494.945 4.525 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164902451 721491565 /nfs/dbraw/zinc/49/15/65/721491565.db2.gz ZNMQAHYYHKWNFK-OAHLLOKOSA-N 0 0 470.351 4.549 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897946 721491772 /nfs/dbraw/zinc/49/17/72/721491772.db2.gz FPXIBPRVUAKFMT-QGZVFWFLSA-N 0 0 452.908 4.639 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164895748 721500672 /nfs/dbraw/zinc/50/06/72/721500672.db2.gz FFWQIWJQDFNLBH-LJQANCHMSA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164895193 721500847 /nfs/dbraw/zinc/50/08/47/721500847.db2.gz ATEAHWRYYBCDOZ-LJQANCHMSA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164898689 721502672 /nfs/dbraw/zinc/50/26/72/721502672.db2.gz TYTCLIIRZFCVMD-FQEVSTJZSA-N 0 0 470.004 4.697 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164898785 721504075 /nfs/dbraw/zinc/50/40/75/721504075.db2.gz UZWBOFKZKPCKHL-OAHLLOKOSA-N 0 0 478.330 4.519 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164896818 721504604 /nfs/dbraw/zinc/50/46/04/721504604.db2.gz KIJISTVDMWZIDU-GFCCVEGCSA-N 0 0 461.727 4.624 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)cnc2Cl)c1 ZINC001164897709 721505582 /nfs/dbraw/zinc/50/55/82/721505582.db2.gz NQRGQNXMMSEVLC-JOCHJYFZSA-N 0 0 498.961 4.993 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC2)N1Cc1ccncc1 ZINC001164895078 721505944 /nfs/dbraw/zinc/50/59/44/721505944.db2.gz AHNQWQBTWGLZJN-UHFFFAOYSA-N 0 0 475.902 4.524 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164796233 721506338 /nfs/dbraw/zinc/50/63/38/721506338.db2.gz QFEFFADTUCSHBW-YCRPNKLZSA-N 0 0 451.901 4.537 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795249 721506390 /nfs/dbraw/zinc/50/63/90/721506390.db2.gz IVCDMGKLFMLELO-HTAPYJJXSA-N 0 0 457.912 4.817 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC2)N1Cc1ccncc1 ZINC001164897887 721507287 /nfs/dbraw/zinc/50/72/87/721507287.db2.gz GPUQXGPASFJQDH-UHFFFAOYSA-N 0 0 474.861 4.855 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@H]12 ZINC001164807170 721540780 /nfs/dbraw/zinc/54/07/80/721540780.db2.gz PWGDOIAASNJTGR-KNKQGSTJSA-N 0 0 463.632 4.683 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164799860 721542261 /nfs/dbraw/zinc/54/22/61/721542261.db2.gz BJYIQTSKOLVULN-AKFKNWHVSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164804453 721548147 /nfs/dbraw/zinc/54/81/47/721548147.db2.gz JRGZZKHHJAEUDZ-VSKRKVRLSA-N 0 0 458.940 4.696 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164903238 721577532 /nfs/dbraw/zinc/57/75/32/721577532.db2.gz PHPSKNXZICQLHU-QGZVFWFLSA-N 0 0 475.367 4.697 20 0 JJADRN Cc1sc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808067 721579011 /nfs/dbraw/zinc/57/90/11/721579011.db2.gz PTUOSKRPUMXUEW-OTNCWRBYSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810756 721580109 /nfs/dbraw/zinc/58/01/09/721580109.db2.gz WBNXHVPKUCCPMS-ZLNRFVROSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@H]12 ZINC001164799279 721584157 /nfs/dbraw/zinc/58/41/57/721584157.db2.gz AJASNGZFYZYVFH-ZDXQCDESSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804341 721584231 /nfs/dbraw/zinc/58/42/31/721584231.db2.gz JMUPEPWWLAJXRL-ZRRKCSAHSA-N 0 0 451.574 4.560 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804333 721584658 /nfs/dbraw/zinc/58/46/58/721584658.db2.gz JMUPEPWWLAJXRL-GTNKKZTPSA-N 0 0 451.574 4.560 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808234 721585461 /nfs/dbraw/zinc/58/54/61/721585461.db2.gz QBYVVEGGOICOAJ-YPAWHYETSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806282 721586616 /nfs/dbraw/zinc/58/66/16/721586616.db2.gz MTWYSLJPYBWZKJ-YTFSRNRJSA-N 0 0 485.966 4.605 20 0 JJADRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802607 721588065 /nfs/dbraw/zinc/58/80/65/721588065.db2.gz HBENBHQIVDRIJJ-KKUQBAQOSA-N 0 0 478.040 4.601 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808905 721589570 /nfs/dbraw/zinc/58/95/70/721589570.db2.gz ROCIHFSYCCHAMY-CZTZKLFOSA-N 0 0 486.403 4.839 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@@H]12 ZINC001164806826 721591615 /nfs/dbraw/zinc/59/16/15/721591615.db2.gz NBSQAEDVMCUGHQ-TUNNFDKTSA-N 0 0 474.939 4.803 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)n1 ZINC001164807573 721593175 /nfs/dbraw/zinc/59/31/75/721593175.db2.gz OOHNTLVFIAOBNK-QGZVFWFLSA-N 0 0 478.971 4.803 20 0 JJADRN COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 ZINC001164798531 721593335 /nfs/dbraw/zinc/59/33/35/721593335.db2.gz JIXSSTJBWFXYRP-INIZCTEOSA-N 0 0 494.970 4.504 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCn3cnc(COCC4CC4)c3C2)c(Cl)nn1 ZINC001164801422 721600297 /nfs/dbraw/zinc/60/02/97/721600297.db2.gz OLUVTQOKLRHHDW-UHFFFAOYSA-N 0 0 463.891 4.624 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)c(Cl)nn2)cc1 ZINC001164802871 721600335 /nfs/dbraw/zinc/60/03/35/721600335.db2.gz SSFJEHLADPGDCU-UHFFFAOYSA-N 0 0 463.891 4.624 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164801515 721600654 /nfs/dbraw/zinc/60/06/54/721600654.db2.gz OQRXRXJXYWLFST-AUSIDOKSSA-N 0 0 477.987 4.802 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164802928 721600885 /nfs/dbraw/zinc/60/08/85/721600885.db2.gz UEHQIWFMDUVZEN-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798414 721600932 /nfs/dbraw/zinc/60/09/32/721600932.db2.gz FLLKCGCWDPXQDL-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164797539 721603569 /nfs/dbraw/zinc/60/35/69/721603569.db2.gz BLZXWCUJUYYAMC-OAHLLOKOSA-N 0 0 480.968 4.987 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164798493 721603816 /nfs/dbraw/zinc/60/38/16/721603816.db2.gz GZWUSYKMNJSBMZ-GOSISDBHSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164803258 721604023 /nfs/dbraw/zinc/60/40/23/721604023.db2.gz UWSUVMYGOHTQJG-HNNXBMFYSA-N 0 0 473.351 4.511 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164803753 721605465 /nfs/dbraw/zinc/60/54/65/721605465.db2.gz WBFOPBHIZDVZTA-GOSISDBHSA-N 0 0 490.725 4.736 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164802628 721605532 /nfs/dbraw/zinc/60/55/32/721605532.db2.gz RYZDMNXXUSJPBU-LJQANCHMSA-N 0 0 455.292 4.687 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164798748 721605540 /nfs/dbraw/zinc/60/55/40/721605540.db2.gz HUTQVVZSRXLHOD-IBGZPJMESA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164803238 721605705 /nfs/dbraw/zinc/60/57/05/721605705.db2.gz UUCNCZDEHSPUFM-NRFANRHFSA-N 0 0 496.345 4.960 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164798762 721605712 /nfs/dbraw/zinc/60/57/12/721605712.db2.gz ICJTYFBAMJHYMS-FQEVSTJZSA-N 0 0 495.317 4.564 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010368 721691302 /nfs/dbraw/zinc/69/13/02/721691302.db2.gz VVSPDCJYYTVJNR-VVWXKSFDSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008880 721692491 /nfs/dbraw/zinc/69/24/91/721692491.db2.gz LLBFNQLZMUZOKT-LIVBEALHSA-N 0 0 468.957 4.671 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)C2 ZINC001165008240 721707000 /nfs/dbraw/zinc/70/70/00/721707000.db2.gz CZAXCRTXEGRXDX-UHFFFAOYSA-N 0 0 462.001 4.792 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)C2 ZINC001165010089 721712531 /nfs/dbraw/zinc/71/25/31/721712531.db2.gz ZLXSNKOLIMHGJM-UHFFFAOYSA-N 0 0 468.030 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c3ccccc32)cc1C ZINC001165009051 721713176 /nfs/dbraw/zinc/71/31/76/721713176.db2.gz NVLIYHOMJWXWBO-UHFFFAOYSA-N 0 0 455.610 4.756 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165008188 721725164 /nfs/dbraw/zinc/72/51/64/721725164.db2.gz KRAJIVSUCVSUPY-LJQANCHMSA-N 0 0 459.324 4.589 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001165009507 721727378 /nfs/dbraw/zinc/72/73/78/721727378.db2.gz YDCRXOHJWIOZME-AREMUKBSSA-N 0 0 463.651 4.647 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(Cl)nn1 ZINC001165007792 721728201 /nfs/dbraw/zinc/72/82/01/721728201.db2.gz HQOQLROJIGQVAN-JOCHJYFZSA-N 0 0 464.944 4.578 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c(Cl)nn2)c1 ZINC001165009285 721728203 /nfs/dbraw/zinc/72/82/03/721728203.db2.gz WBTURZMMFPJAQU-JOCHJYFZSA-N 0 0 464.944 4.578 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001165009729 721728228 /nfs/dbraw/zinc/72/82/28/721728228.db2.gz ZKBNQBCKSCSFBZ-OAQYLSRUSA-N 0 0 452.908 4.708 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cnc(Cl)nc1Cl)C[C@H]2c1ccccc1 ZINC001164912952 721739087 /nfs/dbraw/zinc/73/90/87/721739087.db2.gz RSVMKUAUDANXLW-AVRDEDQJSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cccnc1Cl)C[C@@H]2c1ccccc1 ZINC001164909116 721739204 /nfs/dbraw/zinc/73/92/04/721739204.db2.gz BPAFBMXGYGIRJK-OFNKIYASSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)nc1Cl)C[C@H]2c1ccccc1 ZINC001164912954 721739451 /nfs/dbraw/zinc/73/94/51/721739451.db2.gz RSVMKUAUDANXLW-PGRDOPGGSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(c1nc(Cl)ccc1CN1CCCC1)C[C@@H]2c1ccccc1 ZINC001164912191 721741397 /nfs/dbraw/zinc/74/13/97/721741397.db2.gz MLYWCIVSTXSIGP-YWEHKCAJSA-N 0 0 488.035 4.753 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C[C@H]2c1ccccc1 ZINC001164911809 721742638 /nfs/dbraw/zinc/74/26/38/721742638.db2.gz KMVUKYMONAWATK-CPJSRVTESA-N 0 0 495.961 4.586 20 0 JJADRN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164910175 721753719 /nfs/dbraw/zinc/75/37/19/721753719.db2.gz PIPYQLMRKPFVAE-UHFFFAOYSA-N 0 0 491.979 4.643 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164909581 721757835 /nfs/dbraw/zinc/75/78/35/721757835.db2.gz IQPUOIINILYGMS-UHFFFAOYSA-N 0 0 480.931 4.639 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)[C@H]2C1 ZINC001165017652 721769975 /nfs/dbraw/zinc/76/99/75/721769975.db2.gz SCUNAVPQJCIHBS-WBMJQRKESA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001165018114 721772250 /nfs/dbraw/zinc/77/22/50/721772250.db2.gz SLAIITDMUNCBOU-BBRMVZONSA-N 0 0 464.925 4.737 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)[C@H]2C1 ZINC001165020586 721772383 /nfs/dbraw/zinc/77/23/83/721772383.db2.gz YROLKOAVISYNAW-APWZRJJASA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)[C@@H]2C1 ZINC001165016336 721773672 /nfs/dbraw/zinc/77/36/72/721773672.db2.gz PDSGFIVBSYARSQ-AUUYWEPGSA-N 0 0 476.886 4.815 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)cc1 ZINC001165016217 721773710 /nfs/dbraw/zinc/77/37/10/721773710.db2.gz OMOVYYOPQKXREB-OXQOHEQNSA-N 0 0 488.922 4.685 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001165021162 721773712 /nfs/dbraw/zinc/77/37/12/721773712.db2.gz ZUYHAZCDUUOZON-KXBFYZLASA-N 0 0 476.886 4.815 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165021939 721780152 /nfs/dbraw/zinc/78/01/52/721780152.db2.gz QFUZDFOQMHDFFE-GPXNEJASSA-N 0 0 488.966 4.987 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165018620 721780809 /nfs/dbraw/zinc/78/08/09/721780809.db2.gz JLDVYZSNFGAUDC-QRVBRYPASA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165018618 721780834 /nfs/dbraw/zinc/78/08/34/721780834.db2.gz JLDVYZSNFGAUDC-OTWHNJEPSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165018616 721780864 /nfs/dbraw/zinc/78/08/64/721780864.db2.gz JLDVYZSNFGAUDC-FHWLQOOXSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165020103 721781645 /nfs/dbraw/zinc/78/16/45/721781645.db2.gz LPDZGAZIDIWWRQ-JYJNAYRXSA-N 0 0 481.758 4.626 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165020101 721784495 /nfs/dbraw/zinc/78/44/95/721784495.db2.gz LOACCKMPPIVODW-HSZRJFAPSA-N 0 0 485.922 4.640 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001165023740 721785578 /nfs/dbraw/zinc/78/55/78/721785578.db2.gz UPACORCAPXYCJW-HSZRJFAPSA-N 0 0 487.913 4.900 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164917329 721802641 /nfs/dbraw/zinc/80/26/41/721802641.db2.gz VALHRVJABUHMSN-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915777 721802984 /nfs/dbraw/zinc/80/29/84/721802984.db2.gz KZKIPJGIYYJOEL-IBGZPJMESA-N 0 0 498.937 4.936 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164916973 721803034 /nfs/dbraw/zinc/80/30/34/721803034.db2.gz UHETXMQRXPOVFP-KRWDZBQOSA-N 0 0 461.916 4.534 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCc5ncnc(C6CC6)c5CC4)c23)C1 ZINC001164914802 721804059 /nfs/dbraw/zinc/80/40/59/721804059.db2.gz GPURTBBGJHSZOI-QGZVFWFLSA-N 0 0 474.678 4.685 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3ncnc(C4CC4)c3CC2)n1 ZINC001164917651 721804247 /nfs/dbraw/zinc/80/42/47/721804247.db2.gz WOXZACLBURFHQQ-UHFFFAOYSA-N 0 0 456.619 4.693 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915492 721805230 /nfs/dbraw/zinc/80/52/30/721805230.db2.gz KXWPMZFJNPLNPW-QRWLVFNGSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914181 721805263 /nfs/dbraw/zinc/80/52/63/721805263.db2.gz AUVIVBWEVYYXCT-KNQAVFIVSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164918055 721806280 /nfs/dbraw/zinc/80/62/80/721806280.db2.gz ZXLSAJMUWBLTDE-YWZLYKJASA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914790 721806314 /nfs/dbraw/zinc/80/63/14/721806314.db2.gz GJJYBZOKVQEOIZ-QRWLVFNGSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915374 721807120 /nfs/dbraw/zinc/80/71/20/721807120.db2.gz JJEMXICRNLDUFT-DENIHFKCSA-N 0 0 458.896 4.554 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164919548 721807990 /nfs/dbraw/zinc/80/79/90/721807990.db2.gz ZHNGGSLONBNDRV-XMSQKQJNSA-N 0 0 476.886 4.693 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164918871 721807996 /nfs/dbraw/zinc/80/79/96/721807996.db2.gz UKZSREBPNWUUQO-AUSIDOKSSA-N 0 0 472.923 4.862 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919170 721808045 /nfs/dbraw/zinc/80/80/45/721808045.db2.gz WDCWRMJRLOIOGS-XXBNENTESA-N 0 0 472.923 4.862 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164915478 721808766 /nfs/dbraw/zinc/80/87/66/721808766.db2.gz BCEPKLIZFCUZGQ-DETPVDSQSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915482 721808794 /nfs/dbraw/zinc/80/87/94/721808794.db2.gz BCEPKLIZFCUZGQ-PVXIVEMSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164918505 721809091 /nfs/dbraw/zinc/80/90/91/721809091.db2.gz QTCXHTDOABECSX-HZUKXOBISA-N 0 0 450.338 4.590 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)nc12 ZINC001164918216 721809378 /nfs/dbraw/zinc/80/93/78/721809378.db2.gz PNUNIGPNRVDWHH-HNJNHCNJSA-N 0 0 484.931 4.624 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919590 721809385 /nfs/dbraw/zinc/80/93/85/721809385.db2.gz ZTZHYURRRULTKA-OSAQELSMSA-N 0 0 472.970 4.547 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)nc12 ZINC001164918218 721809432 /nfs/dbraw/zinc/80/94/32/721809432.db2.gz PNUNIGPNRVDWHH-WBHUJUFNSA-N 0 0 484.931 4.624 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164916267 721809821 /nfs/dbraw/zinc/80/98/21/721809821.db2.gz GGLNQFCSSUUOHS-PZPSRYQVSA-N 0 0 484.931 4.624 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC001164919475 721810861 /nfs/dbraw/zinc/81/08/61/721810861.db2.gz YBWMLCCARGEPGU-XGWLTEMNSA-N 0 0 461.987 4.659 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164917037 721818302 /nfs/dbraw/zinc/81/83/02/721818302.db2.gz AQVHHQTXYUYUCZ-UHFFFAOYSA-N 0 0 450.748 4.533 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164917775 721818931 /nfs/dbraw/zinc/81/89/31/721818931.db2.gz HOUKMAZMONELNM-UHFFFAOYSA-N 0 0 465.026 4.958 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164919065 721818994 /nfs/dbraw/zinc/81/89/94/721818994.db2.gz ZIEQTOIPUNOEQT-UHFFFAOYSA-N 0 0 458.997 4.896 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164919197 721820184 /nfs/dbraw/zinc/82/01/84/721820184.db2.gz OAPOURXQXGFITL-UHFFFAOYSA-N 0 0 450.590 4.757 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164923219 721841017 /nfs/dbraw/zinc/84/10/17/721841017.db2.gz UDPBWQLGBTZMMC-SBUREZEXSA-N 0 0 490.913 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164924726 721841068 /nfs/dbraw/zinc/84/10/68/721841068.db2.gz YTVDUKOYMVORDM-DVECYGJZSA-N 0 0 486.950 4.715 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164922030 721841409 /nfs/dbraw/zinc/84/14/09/721841409.db2.gz PTWBZCXGWUZHNN-HXOBKFHXSA-N 0 0 490.913 4.546 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164919305 721841444 /nfs/dbraw/zinc/84/14/44/721841444.db2.gz AGKMSYKXEUHWEK-HTAPYJJXSA-N 0 0 461.896 4.605 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[C@H]3CCC(=O)N4C)n2)CC1 ZINC001164934936 721893457 /nfs/dbraw/zinc/89/34/57/721893457.db2.gz UMCROLHWDMDEFB-RTBURBONSA-N 0 0 481.691 4.851 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926501 721898296 /nfs/dbraw/zinc/89/82/96/721898296.db2.gz BRMPVKMDRYHGKJ-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928920 721898536 /nfs/dbraw/zinc/89/85/36/721898536.db2.gz SICDYUDJFGLJAX-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12)C1(c2ccc(Cl)nc2)CC1 ZINC001164927122 721899105 /nfs/dbraw/zinc/89/91/05/721899105.db2.gz GLVUFSGVCIQPSA-HSZRJFAPSA-N 0 0 468.935 4.990 20 0 JJADRN FC(F)(N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12)C1(c2ccnc(Cl)c2)CC1 ZINC001164926545 721899181 /nfs/dbraw/zinc/89/91/81/721899181.db2.gz DCJVQIKYEFDPJM-QHCPKHFHSA-N 0 0 468.935 4.990 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164927753 721899339 /nfs/dbraw/zinc/89/93/39/721899339.db2.gz LGMPCGSEJLLUBA-UHFFFAOYSA-N 0 0 479.358 4.886 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164927099 721899367 /nfs/dbraw/zinc/89/93/67/721899367.db2.gz GKJRDCUHYWBRGZ-UHFFFAOYSA-N 0 0 461.915 4.977 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccccc21)N1CCCC1 ZINC001164928423 721899429 /nfs/dbraw/zinc/89/94/29/721899429.db2.gz OHTKAKPTADLIGL-UHFFFAOYSA-N 0 0 461.915 4.977 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930081 721899430 /nfs/dbraw/zinc/89/94/30/721899430.db2.gz ZGDYALSUTANSPA-DEOSSOPVSA-N 0 0 468.935 4.904 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)n1 ZINC001164929485 721899449 /nfs/dbraw/zinc/89/94/49/721899449.db2.gz UHHLTQSQJXTXGR-UHFFFAOYSA-N 0 0 458.940 4.541 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c(Cl)nn1 ZINC001164928386 721899655 /nfs/dbraw/zinc/89/96/55/721899655.db2.gz NSHVAQCACCQYNX-UHFFFAOYSA-N 0 0 458.940 4.541 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)c2ccccc21)N1CCCC1 ZINC001164929640 721899692 /nfs/dbraw/zinc/89/96/92/721899692.db2.gz VTFCXKXQYWNBIN-UHFFFAOYSA-N 0 0 484.978 4.721 20 0 JJADRN COc1ccc2c(c1)nc(N1CCC3(CC1)COCCN3Cc1ccn(C)n1)cc2-c1ccccc1 ZINC001164936855 721908183 /nfs/dbraw/zinc/90/81/83/721908183.db2.gz ZVAGGOGOQISCEB-UHFFFAOYSA-N 0 0 483.616 4.515 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(C(F)(F)c2cnc(Cl)c(-c4cccs4)c2)CC3)n1 ZINC001164935845 721910279 /nfs/dbraw/zinc/91/02/79/721910279.db2.gz PUEBKMAMXUVSCO-UHFFFAOYSA-N 0 0 494.011 4.613 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164939516 721915745 /nfs/dbraw/zinc/91/57/45/721915745.db2.gz UNFFDOWXGLNTAN-UHFFFAOYSA-N 0 0 472.902 4.938 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164941759 721949617 /nfs/dbraw/zinc/94/96/17/721949617.db2.gz IMQPTLHJZUVQIG-DNQXCXABSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164941776 721949659 /nfs/dbraw/zinc/94/96/59/721949659.db2.gz ITBBYJQNMDTXDK-RPWUZVMVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@@H]21 ZINC001164943260 721955755 /nfs/dbraw/zinc/95/57/55/721955755.db2.gz HHPKICRVUYZZFJ-ZEQRLZLVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@@H]21 ZINC001164942425 721955898 /nfs/dbraw/zinc/95/58/98/721955898.db2.gz DWAOLNJDNVWCPT-SFTDATJTSA-N 0 0 482.009 4.706 20 0 JJADRN COc1ccc2c(c1)nc(N1C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C1)cc2-c1ccccc1 ZINC001164942364 721956528 /nfs/dbraw/zinc/95/65/28/721956528.db2.gz DUNMQOXHDLBHNG-SVBPBHIXSA-N 0 0 470.573 4.605 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]21 ZINC001164947469 721960682 /nfs/dbraw/zinc/96/06/82/721960682.db2.gz PYZBVFSYYKQINS-FCHUYYIVSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@H]21 ZINC001164942376 721961679 /nfs/dbraw/zinc/96/16/79/721961679.db2.gz BKPBELJEOZEWCY-IFMALSPDSA-N 0 0 490.938 4.521 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]21 ZINC001164942386 721962042 /nfs/dbraw/zinc/96/20/42/721962042.db2.gz BKPBELJEOZEWCY-RBBKRZOGSA-N 0 0 490.938 4.521 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]12 ZINC001164947925 721966492 /nfs/dbraw/zinc/96/64/92/721966492.db2.gz SBPCPEQVIYQJCV-NZQKXSOJSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)C[C@@H]12 ZINC001164942806 721967432 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452.914 4.845 20 0 JJADRN COC[C@]12COC[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952890 721994768 /nfs/dbraw/zinc/99/47/68/721994768.db2.gz QUIGITXYXGYZFZ-MZNJEOGPSA-N 0 0 470.664 4.505 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(COc4cccnc4)c3C2)n1 ZINC001164948702 721998261 /nfs/dbraw/zinc/99/82/61/721998261.db2.gz AMKQHNJHKWWNMV-UHFFFAOYSA-N 0 0 491.665 4.731 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c(Cl)n1 ZINC001164953556 722004840 /nfs/dbraw/zinc/00/48/40/722004840.db2.gz REMRHRJOKJDIRG-HOTGVXAUSA-N 0 0 472.923 4.633 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164953642 722006225 /nfs/dbraw/zinc/00/62/25/722006225.db2.gz SRWGQOYHPZKMHY-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1 ZINC001164953717 722011737 /nfs/dbraw/zinc/01/17/37/722011737.db2.gz GGRHDWBJBOSDHB-GCJKJVERSA-N 0 0 470.992 4.727 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2ccc(F)c(Cl)n2)C3)n1 ZINC001164964725 722025921 /nfs/dbraw/zinc/02/59/21/722025921.db2.gz XZZGUVOYEGRNSM-PZJWPPBQSA-N 0 0 455.908 4.715 20 0 JJADRN COc1cc(C(F)(F)N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)cc(Cl)n1 ZINC001164958855 722026059 /nfs/dbraw/zinc/02/60/59/722026059.db2.gz GJTQKDCNECLBDV-KNQAVFIVSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)C3)n1 ZINC001164964759 722026774 /nfs/dbraw/zinc/02/67/74/722026774.db2.gz YGDSNBYKQMNPCZ-DENIHFKCSA-N 0 0 466.960 4.587 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)C3)n1 ZINC001164964762 722026829 /nfs/dbraw/zinc/02/68/29/722026829.db2.gz YGDSNBYKQMNPCZ-KNQAVFIVSA-N 0 0 466.960 4.587 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ccc2C)C3)n1 ZINC001164957950 722026853 /nfs/dbraw/zinc/02/68/53/722026853.db2.gz CHUUGNJGVOFRPC-DENIHFKCSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164961468 722027184 /nfs/dbraw/zinc/02/71/84/722027184.db2.gz OBPQOWSXSVNGBW-UWJYYQICSA-N 0 0 487.378 4.710 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164957251 722028432 /nfs/dbraw/zinc/02/84/32/722028432.db2.gz AQJZTRLCKQENEH-ZVDOUQERSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164958956 722028533 /nfs/dbraw/zinc/02/85/33/722028533.db2.gz HEJZWTSBVNJHOP-ZACQAIPSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164957505 722029433 /nfs/dbraw/zinc/02/94/33/722029433.db2.gz MMCLQUAVTSRNMU-BFHYXJOUSA-N 0 0 468.690 4.936 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c2c1C ZINC001164958346 722029489 /nfs/dbraw/zinc/02/94/89/722029489.db2.gz ONOCDIHZWYNKRT-VIZSFHNOSA-N 0 0 497.640 4.643 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164957507 722029548 /nfs/dbraw/zinc/02/95/48/722029548.db2.gz MMCLQUAVTSRNMU-MGPQQGTHSA-N 0 0 468.690 4.936 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164960935 722029780 /nfs/dbraw/zinc/02/97/80/722029780.db2.gz VBTKTDHQBQDJTR-ZVDOUQERSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164957433 722030291 /nfs/dbraw/zinc/03/02/91/722030291.db2.gz LZZFNZLQGMPFDI-BHIYHBOVSA-N 0 0 465.859 4.889 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164962444 722033289 /nfs/dbraw/zinc/03/32/89/722033289.db2.gz XPHKHFOJXUFCGA-QPPBQGQZSA-N 0 0 468.935 4.875 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164957449 722035690 /nfs/dbraw/zinc/03/56/90/722035690.db2.gz MALIDHFYAVVDMR-RCZVLFRGSA-N 0 0 498.961 4.883 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3O2)n1 ZINC001164964376 722041190 /nfs/dbraw/zinc/04/11/90/722041190.db2.gz UTUQZMWPJGZVQW-BTJLNZGRSA-N 0 0 455.292 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3O2)n1 ZINC001164959673 722042344 /nfs/dbraw/zinc/04/23/44/722042344.db2.gz JADWNWGYPYPFPM-DKSSEZFCSA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3O2)n1 ZINC001164960442 722043260 /nfs/dbraw/zinc/04/32/60/722043260.db2.gz KTEVCEDYFHTSLR-IVMMDQJWSA-N 0 0 452.914 4.536 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C)c5)c4)C[C@H]3O2)n1 ZINC001164958504 722043278 /nfs/dbraw/zinc/04/32/78/722043278.db2.gz DSVLWGPWNIRSTF-XKGZKEIXSA-N 0 0 460.912 4.783 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(-c5ccc(C(C)C)cc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164964740 722043385 /nfs/dbraw/zinc/04/33/85/722043385.db2.gz UZVOTPAANFTTSD-BBTUJRGHSA-N 0 0 489.954 4.993 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)CC2=O)s1 ZINC001164965618 722043962 /nfs/dbraw/zinc/04/39/62/722043962.db2.gz ZQBVZNYECORYLU-GOSISDBHSA-N 0 0 454.955 4.893 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(c4nc(CN5CCCC5)nc5sc(C)c(C)c54)C3)CC2=O)s1 ZINC001164963539 722044506 /nfs/dbraw/zinc/04/45/06/722044506.db2.gz RWHFPCMGAPFEDE-RUZDIDTESA-N 0 0 481.691 4.907 20 0 JJADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]21 ZINC001164956956 722048705 /nfs/dbraw/zinc/04/87/05/722048705.db2.gz FNXKOMHCXYEGKO-YJBOKZPZSA-N 0 0 459.880 4.771 20 0 JJADRN FC(F)(COc1cccc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958560 722049901 /nfs/dbraw/zinc/04/99/01/722049901.db2.gz NKORTJARGKEKKB-UHFFFAOYSA-N 0 0 470.911 4.691 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960758 722049945 /nfs/dbraw/zinc/04/99/45/722049945.db2.gz WJOKNUSVTLZVCS-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958577 722049959 /nfs/dbraw/zinc/04/99/59/722049959.db2.gz NXYJFBHMMIYLBC-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164957207 722050271 /nfs/dbraw/zinc/05/02/71/722050271.db2.gz IDVOFAMOLPMTDH-UHFFFAOYSA-N 0 0 450.276 4.882 20 0 JJADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164958207 722050708 /nfs/dbraw/zinc/05/07/08/722050708.db2.gz DUPZSECAURNJEY-UHFFFAOYSA-N 0 0 457.868 4.622 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@@H]3C)c1 ZINC001164966364 722062703 /nfs/dbraw/zinc/06/27/03/722062703.db2.gz ROVIZKRSQBRPAA-CYBMUJFWSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]3C)c1 ZINC001164964389 722062725 /nfs/dbraw/zinc/06/27/25/722062725.db2.gz GDTQOSQDOVQFNP-AWEZNQCLSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]3C)c1 ZINC001164965151 722062949 /nfs/dbraw/zinc/06/29/49/722062949.db2.gz JBXNHVVGGRNCPL-CQSZACIVSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)[C@H]3C)c1 ZINC001164966719 722063059 /nfs/dbraw/zinc/06/30/59/722063059.db2.gz XLJDCWMNHFJVFM-HNNXBMFYSA-N 0 0 472.927 4.959 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)[C@H]3C)c1 ZINC001164965854 722063064 /nfs/dbraw/zinc/06/30/64/722063064.db2.gz MCMAERWVVOQFCK-HNNXBMFYSA-N 0 0 472.927 4.959 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)[C@@H]3C)c1 ZINC001164966720 722063218 /nfs/dbraw/zinc/06/32/18/722063218.db2.gz XLJDCWMNHFJVFM-OAHLLOKOSA-N 0 0 472.927 4.959 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164964404 722065212 /nfs/dbraw/zinc/06/52/12/722065212.db2.gz GIZMPOXRNPAVQD-VXGBXAGGSA-N 0 0 453.729 4.537 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)cc1 ZINC001164965487 722065757 /nfs/dbraw/zinc/06/57/57/722065757.db2.gz KJPBLBLXMZPVIX-MOPGFXCFSA-N 0 0 475.952 4.600 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)cc1 ZINC001164965493 722066100 /nfs/dbraw/zinc/06/61/00/722066100.db2.gz KJPBLBLXMZPVIX-RTBURBONSA-N 0 0 475.952 4.600 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)Cc2ccccc2CNC3=O)n1 ZINC001164967885 722078410 /nfs/dbraw/zinc/07/84/10/722078410.db2.gz MIFQUHHJYFBSEK-UHFFFAOYSA-N 0 0 477.678 4.609 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@@H]21 ZINC001164970816 722081373 /nfs/dbraw/zinc/08/13/73/722081373.db2.gz SFMYPJBVMQSKJI-SFLYRZDNSA-N 0 0 499.993 4.968 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968570 722081908 /nfs/dbraw/zinc/08/19/08/722081908.db2.gz CJLGUQOEJVMOCN-IFMALSPDSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968407 722082206 /nfs/dbraw/zinc/08/22/06/722082206.db2.gz CDYLBMBRQOQFEL-IFMALSPDSA-N 0 0 489.925 4.826 20 0 JJADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(-c3ccc(C(C)C)cc3)nnc1Cl)CCO2 ZINC001164969368 722084371 /nfs/dbraw/zinc/08/43/71/722084371.db2.gz NRWUQBOEGPOWFM-QHCPKHFHSA-N 0 0 478.971 4.683 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@H]2C1 ZINC001164972631 722085095 /nfs/dbraw/zinc/08/50/95/722085095.db2.gz MDRAGWMSIGLYGB-CHWSQXEVSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2C1 ZINC001164974123 722085113 /nfs/dbraw/zinc/08/51/13/722085113.db2.gz PBPMKHSIEKASQH-OALUTQOASA-N 0 0 461.940 4.958 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)c2ccccc21 ZINC001164970039 722085117 /nfs/dbraw/zinc/08/51/17/722085117.db2.gz BXERGYRVYKWKHK-BJWYYQGGSA-N 0 0 499.993 4.965 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@@H]2C1 ZINC001164971505 722085135 /nfs/dbraw/zinc/08/51/35/722085135.db2.gz IYYIMJRBDFEFJN-STQMWFEESA-N 0 0 455.336 4.613 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)c2ccccc21 ZINC001164970041 722085226 /nfs/dbraw/zinc/08/52/26/722085226.db2.gz BXERGYRVYKWKHK-IAGOWNOFSA-N 0 0 499.993 4.965 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164976758 722085484 /nfs/dbraw/zinc/08/54/84/722085484.db2.gz WMZTYPYQYSQUQL-ACDBMABISA-N 0 0 493.721 4.543 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2c2ccccc21 ZINC001164971825 722089720 /nfs/dbraw/zinc/08/97/20/722089720.db2.gz FBIASOFVYROEGP-WIYYLYMNSA-N 0 0 489.975 4.947 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164981951 722091848 /nfs/dbraw/zinc/09/18/48/722091848.db2.gz PRCQHQSOJKHSPP-KRWDZBQOSA-N 0 0 475.971 4.650 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164985745 722097323 /nfs/dbraw/zinc/09/73/23/722097323.db2.gz WKPZEDBIWIWUAP-PWRODBHTSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]21 ZINC001164985800 722097489 /nfs/dbraw/zinc/09/74/89/722097489.db2.gz WYETXLHLFNAYFI-JENIJYKNSA-N 0 0 475.902 4.513 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]21 ZINC001164982104 722097684 /nfs/dbraw/zinc/09/76/84/722097684.db2.gz MVPLSYKZLZLVOZ-LVCYWYKZSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@@H]21 ZINC001164984704 722097857 /nfs/dbraw/zinc/09/78/57/722097857.db2.gz UBKNVRZNSIJXKN-LVCYWYKZSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]21 ZINC001164981717 722098126 /nfs/dbraw/zinc/09/81/26/722098126.db2.gz MAYOIUPEUOMVAP-BHDDXSALSA-N 0 0 483.950 4.888 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1Cl ZINC001164972689 722160697 /nfs/dbraw/zinc/16/06/97/722160697.db2.gz IWEWCNNFMQNKRH-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001164981136 722162788 /nfs/dbraw/zinc/16/27/88/722162788.db2.gz OQWRVIKKNMDEIA-HHHXNRCGSA-N 0 0 469.614 4.544 20 0 JJADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1=O ZINC001164982594 722163097 /nfs/dbraw/zinc/16/30/97/722163097.db2.gz WYAVIWHCDSWEBB-QFIPXVFZSA-N 0 0 458.871 4.606 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164974371 722165389 /nfs/dbraw/zinc/16/53/89/722165389.db2.gz FNWNYBUOGKIXER-KXBFYZLASA-N 0 0 450.357 4.749 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c(Cl)n1 ZINC001164978004 722165645 /nfs/dbraw/zinc/16/56/45/722165645.db2.gz OYPRGGSQPUMTOW-HTAPYJJXSA-N 0 0 472.960 4.791 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164974585 722166178 /nfs/dbraw/zinc/16/61/78/722166178.db2.gz GFSCNROWEOAGSL-LAUBAEHRSA-N 0 0 468.932 4.665 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)nc1Cl ZINC001164978761 722170143 /nfs/dbraw/zinc/17/01/43/722170143.db2.gz SFFSZDCPJSMEBJ-GUDVDZBRSA-N 0 0 463.912 4.553 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)CC[C@H]32)cs1 ZINC001164989575 722175438 /nfs/dbraw/zinc/17/54/38/722175438.db2.gz UFXBUUHSUUSNOC-HZPDHXFCSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4Cl)CC[C@@H]32)cs1 ZINC001164984942 722175718 /nfs/dbraw/zinc/17/57/18/722175718.db2.gz HEIAASZUDIGWDG-DLBZAZTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccc(Cl)cc5nc4Cl)CC[C@H]32)cs1 ZINC001164990943 722179842 /nfs/dbraw/zinc/17/98/42/722179842.db2.gz WURDQDWOFYSMTK-RTBURBONSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5nc(Cl)cnc5cc4Cl)CC[C@H]32)cs1 ZINC001164989994 722180415 /nfs/dbraw/zinc/18/04/15/722180415.db2.gz NEHFNJGZFGKSJP-UYAOXDASSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc5nc(Cl)cnc5cc4Cl)CC[C@@H]32)cs1 ZINC001164989992 722180479 /nfs/dbraw/zinc/18/04/79/722180479.db2.gz NEHFNJGZFGKSJP-ICSRJNTNSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c(Cl)cccc54)CC[C@@H]32)cs1 ZINC001164988499 722180484 /nfs/dbraw/zinc/18/04/84/722180484.db2.gz JUXJFONORWEBRX-ZWKOTPCHSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@@H]32)cs1 ZINC001164993099 722181046 /nfs/dbraw/zinc/18/10/46/722181046.db2.gz UXVFVAZPIIWOSD-DQEYMECFSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)CC[C@@H]32)cs1 ZINC001164993552 722181140 /nfs/dbraw/zinc/18/11/40/722181140.db2.gz WLSYXBHWMBTWPC-OALUTQOASA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164989966 722181550 /nfs/dbraw/zinc/18/15/50/722181550.db2.gz MXBZFITZJHSMSI-HOTGVXAUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cccc(Cl)c54)CC[C@H]32)cs1 ZINC001164987397 722181578 /nfs/dbraw/zinc/18/15/78/722181578.db2.gz HPTMBBBNXXQKJN-QZTJIDSGSA-N 0 0 464.422 4.571 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1Cl ZINC001164992341 722183544 /nfs/dbraw/zinc/18/35/44/722183544.db2.gz SQPNPRMGCPSMBA-HOTGVXAUSA-N 0 0 475.030 4.637 20 0 JJADRN CSc1ccc(Oc2cc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)ncn2)cc1 ZINC001164987410 722184552 /nfs/dbraw/zinc/18/45/52/722184552.db2.gz HSVJJUUSFMIBSY-VXKWHMMOSA-N 0 0 483.663 4.626 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccccc5nc4N4CCCC[C@@H]4C)CC[C@H]32)cs1 ZINC001164993009 722185121 /nfs/dbraw/zinc/18/51/21/722185121.db2.gz YMVDIIIUGFMKTQ-QTLGCAHFSA-N 0 0 492.693 4.643 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[C@H]32)cs1 ZINC001164991283 722185720 /nfs/dbraw/zinc/18/57/20/722185720.db2.gz SVIMYKIHJWTDQV-IRLDBZIGSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@@H]32)cs1 ZINC001164992902 722185798 /nfs/dbraw/zinc/18/57/98/722185798.db2.gz XTKLUSVCIPBKFE-UIOOFZCWSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4cccc(C)c4)CC[C@H]32)cs1 ZINC001164988097 722186413 /nfs/dbraw/zinc/18/64/13/722186413.db2.gz LPFKVGFEERTDBX-IRLDBZIGSA-N 0 0 486.041 4.865 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]12 ZINC001164988316 722187003 /nfs/dbraw/zinc/18/70/03/722187003.db2.gz DNSLYNGRLWNKCP-FYYLOGMGSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164990258 722187647 /nfs/dbraw/zinc/18/76/47/722187647.db2.gz LARYDCGUCAHMJR-MRXNPFEDSA-N 0 0 485.000 4.505 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164989174 722187668 /nfs/dbraw/zinc/18/76/68/722187668.db2.gz IAMYELZCHZTDOH-CYBMUJFWSA-N 0 0 470.775 4.688 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2nccc(Cl)n2)CC1 ZINC001164989247 722189056 /nfs/dbraw/zinc/18/90/56/722189056.db2.gz BBLPYIOAHSDUTR-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001164991351 722189297 /nfs/dbraw/zinc/18/92/97/722189297.db2.gz PMJYZDBZJFQORL-UHFFFAOYSA-N 0 0 472.923 4.962 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)c2cc(C)ccc21 ZINC001164988274 722189870 /nfs/dbraw/zinc/18/98/70/722189870.db2.gz FPHXMXXZFUAAMC-UHFFFAOYSA-N 0 0 478.927 4.585 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994310 722197788 /nfs/dbraw/zinc/19/77/88/722197788.db2.gz MWXMUBGSXIENEK-QHCPKHFHSA-N 0 0 494.945 4.626 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164998144 722216446 /nfs/dbraw/zinc/21/64/46/722216446.db2.gz UJFAIOHFDPAYAF-BEVDRBHNSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164995771 722216467 /nfs/dbraw/zinc/21/64/67/722216467.db2.gz KOWXKRDWXNHZFG-BEVDRBHNSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)[C@H]2C1 ZINC001164998149 722216479 /nfs/dbraw/zinc/21/64/79/722216479.db2.gz UJFAIOHFDPAYAF-YSSFQJQWSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)[C@@H]2C1 ZINC001164995773 722216512 /nfs/dbraw/zinc/21/65/12/722216512.db2.gz KOWXKRDWXNHZFG-CWFSZBLJSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(-c2ccc(C(C)C)cc2)nnc1Cl ZINC001164998125 722217001 /nfs/dbraw/zinc/21/70/01/722217001.db2.gz UFDMLGHSEGUEPK-BWAGFHJFSA-N 0 0 492.998 4.974 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164999437 722221121 /nfs/dbraw/zinc/22/11/21/722221121.db2.gz RCRTYHKLNWFKHK-MUUNZHRXSA-N 0 0 493.655 4.615 20 0 JJADRN COc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cc(Cl)n1 ZINC001165000385 722221154 /nfs/dbraw/zinc/22/11/54/722221154.db2.gz WWHXECSSILSGFS-NRFANRHFSA-N 0 0 461.940 4.869 20 0 JJADRN COc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc(Cl)n1 ZINC001165000386 722221180 /nfs/dbraw/zinc/22/11/80/722221180.db2.gz WWHXECSSILSGFS-OAQYLSRUSA-N 0 0 461.940 4.869 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001165000348 722221276 /nfs/dbraw/zinc/22/12/76/722221276.db2.gz WPDAOHBZDPEHIX-DEOSSOPVSA-N 0 0 465.041 4.911 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164999484 722221325 /nfs/dbraw/zinc/22/13/25/722221325.db2.gz RWBMMIGLNREJFV-OAQYLSRUSA-N 0 0 461.940 4.782 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164998632 722221330 /nfs/dbraw/zinc/22/13/30/722221330.db2.gz KWIWCHKPHQWISB-MUUNZHRXSA-N 0 0 493.655 4.615 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c(Cl)n1 ZINC001165000816 722221444 /nfs/dbraw/zinc/22/14/44/722221444.db2.gz ZKRYUHDGVZVABY-HXUWFJFHSA-N 0 0 461.940 4.869 20 0 JJADRN Cc1nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc(Cl)c1C ZINC001164996785 722221530 /nfs/dbraw/zinc/22/15/30/722221530.db2.gz AHAUGHWGTJZCEF-LJQANCHMSA-N 0 0 460.956 4.872 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)[C@H]1Cc1cnn(C)c1 ZINC001164999008 722224962 /nfs/dbraw/zinc/22/49/62/722224962.db2.gz GQSDBINFMQKULV-FCHUYYIVSA-N 0 0 494.945 4.673 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)[C@H]1Cc1cnn(C)c1 ZINC001164999096 722225001 /nfs/dbraw/zinc/22/50/01/722225001.db2.gz IBVOWXXMLKIFSB-VXKWHMMOSA-N 0 0 494.945 4.673 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)[C@H]1Cc1cnn(C)c1 ZINC001164998446 722225824 /nfs/dbraw/zinc/22/58/24/722225824.db2.gz CIQLPTVXZTVGOD-VXKWHMMOSA-N 0 0 483.003 4.914 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164998445 722225841 /nfs/dbraw/zinc/22/58/41/722225841.db2.gz CIQLPTVXZTVGOD-FGZHOGPDSA-N 0 0 483.003 4.914 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)n1 ZINC001164999338 722227026 /nfs/dbraw/zinc/22/70/26/722227026.db2.gz LCIZJGZFTGXMEX-MRXNPFEDSA-N 0 0 480.972 4.618 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)n1 ZINC001164999663 722227299 /nfs/dbraw/zinc/22/72/99/722227299.db2.gz NYYIBRLGTNCTHW-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)nc1Cl ZINC001165006367 722245127 /nfs/dbraw/zinc/24/51/27/722245127.db2.gz YLKYORZUFLZSBD-HKUYNNGSSA-N 0 0 464.944 4.690 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3[C@H](C2)c2ccccc2N3CC(C)C)nc1Cl ZINC001165006371 722245401 /nfs/dbraw/zinc/24/54/01/722245401.db2.gz YLKYORZUFLZSBD-MJGOQNOKSA-N 0 0 464.944 4.690 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001165002127 722247736 /nfs/dbraw/zinc/24/77/36/722247736.db2.gz WTLQLKOPTDUCGP-UHFFFAOYSA-N 0 0 491.285 4.680 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CCO2 ZINC001165001759 722249233 /nfs/dbraw/zinc/24/92/33/722249233.db2.gz UNAFHOVQNFCIIF-OAQYLSRUSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CCO2 ZINC001165001726 722249403 /nfs/dbraw/zinc/24/94/03/722249403.db2.gz UFPOOQFQAICICM-NRFANRHFSA-N 0 0 497.329 4.586 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)cs1 ZINC001165007431 722272451 /nfs/dbraw/zinc/27/24/51/722272451.db2.gz WCGKRFYLDIJZGG-QGZVFWFLSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)cs1 ZINC001165004589 722272710 /nfs/dbraw/zinc/27/27/10/722272710.db2.gz BVEZMNWQQQWVSV-SFHVURJKSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)cs1 ZINC001165004588 722272814 /nfs/dbraw/zinc/27/28/14/722272814.db2.gz BVEZMNWQQQWVSV-GOSISDBHSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)cs1 ZINC001165006623 722273110 /nfs/dbraw/zinc/27/31/10/722273110.db2.gz PDKXUQILUGLCTK-INIZCTEOSA-N 0 0 480.968 4.938 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008500 722273477 /nfs/dbraw/zinc/27/34/77/722273477.db2.gz KBFSWRPCMCHCAE-OWDMVUQNSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009333 722273508 /nfs/dbraw/zinc/27/35/08/722273508.db2.gz OWIHTIWHMVTGNM-OWDMVUQNSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008498 722273575 /nfs/dbraw/zinc/27/35/75/722273575.db2.gz KBFSWRPCMCHCAE-AUJRIZCKSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008567 722273724 /nfs/dbraw/zinc/27/37/24/722273724.db2.gz KVMFSZONPXUXSH-PSGMQZRDSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009193 722273790 /nfs/dbraw/zinc/27/37/90/722273790.db2.gz NZAJWRXYXYCNGA-ZFUCPZCZSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165011210 722274287 /nfs/dbraw/zinc/27/42/87/722274287.db2.gz ZCQSNEVZGFVTDU-AUJRIZCKSA-N 0 0 471.335 4.731 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1Cl ZINC001165009368 722274578 /nfs/dbraw/zinc/27/45/78/722274578.db2.gz PJSNHAFQKRVTKD-WDUKFBBWSA-N 0 0 482.984 4.800 20 0 JJADRN Cc1cc(Br)c(CNC(=O)c2cc(I)ccc2C)s1 ZINC001437818244 1065614855 /nfs/dbraw/zinc/61/48/55/1065614855.db2.gz SGMZNJHQRRWEPZ-UHFFFAOYSA-N 0 0 450.139 4.662 20 0 JJADRN Cc1nc(Br)ccc1NC(=O)c1ccc(Cl)c(I)c1 ZINC001458386034 1067047672 /nfs/dbraw/zinc/04/76/72/1067047672.db2.gz LYTLELCBADGREJ-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1(CCOCc2ccccc2)CC1 ZINC001359712140 1064260833 /nfs/dbraw/zinc/26/08/33/1064260833.db2.gz HWXNCDUQVALMMV-UHFFFAOYSA-N 0 0 479.591 4.863 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H]1SCCc2ccccc21 ZINC001545850137 1064261286 /nfs/dbraw/zinc/26/12/86/1064261286.db2.gz ZYXZUKLNNZUZDE-FGSXEWAUSA-N 0 0 455.672 4.852 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359712599 1064261598 /nfs/dbraw/zinc/26/15/98/1064261598.db2.gz ZVSMBZAGJBRWDV-JOCHJYFZSA-N 0 0 486.039 4.609 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1Cc1ccc(C)cc1F ZINC001545851360 1064261719 /nfs/dbraw/zinc/26/17/19/1064261719.db2.gz CAKKTGNHXUALAV-VGOFRKELSA-N 0 0 485.629 4.720 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001359713889 1064262294 /nfs/dbraw/zinc/26/22/94/1064262294.db2.gz BUBHUPVYXCAAIV-UHFFFAOYSA-N 0 0 477.575 4.681 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1ccc2ccccc21 ZINC001359715270 1064263176 /nfs/dbraw/zinc/26/31/76/1064263176.db2.gz VXOHDUDQBKXWGE-UHFFFAOYSA-N 0 0 452.603 4.504 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[C@H]1CCc2ccccc21 ZINC001359714910 1064263206 /nfs/dbraw/zinc/26/32/06/1064263206.db2.gz KXIDHFBNRSTOQW-PZJWPPBQSA-N 0 0 453.631 4.967 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545854419 1064263583 /nfs/dbraw/zinc/26/35/83/1064263583.db2.gz GSFNTIWGSHOVGU-QLOJAFMTSA-N 0 0 499.622 4.697 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359715528 1064263598 /nfs/dbraw/zinc/26/35/98/1064263598.db2.gz CZZZKRUOWWPBKD-OAHLLOKOSA-N 0 0 482.551 4.947 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359715595 1064263872 /nfs/dbraw/zinc/26/38/72/1064263872.db2.gz FVEUFMCAZIDTFG-MRXNPFEDSA-N 0 0 464.561 4.808 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545854867 1064264048 /nfs/dbraw/zinc/26/40/48/1064264048.db2.gz NLFSHXSPJQNJAW-HZPDHXFCSA-N 0 0 499.603 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC[C@H](OC)C(F)(F)F ZINC001545855210 1064264071 /nfs/dbraw/zinc/26/40/71/1064264071.db2.gz SGNPLKCQBWSCKJ-HQRMLTQVSA-N 0 0 481.563 4.546 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC[C@@H](OC)C(F)(F)F ZINC001545855213 1064264132 /nfs/dbraw/zinc/26/41/32/1064264132.db2.gz SGNPLKCQBWSCKJ-YVWKXTFCSA-N 0 0 481.563 4.546 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359715774 1064264389 /nfs/dbraw/zinc/26/43/89/1064264389.db2.gz LEJMYUXRBHSRAB-AFMDSPMNSA-N 0 0 475.628 4.894 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359716004 1064264787 /nfs/dbraw/zinc/26/47/87/1064264787.db2.gz SHTURTCIQQHXCU-KRWDZBQOSA-N 0 0 494.587 4.731 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359716104 1064264795 /nfs/dbraw/zinc/26/47/95/1064264795.db2.gz VVACPXOEOZFDTD-IBGZPJMESA-N 0 0 453.656 4.622 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001545856715 1064264948 /nfs/dbraw/zinc/26/49/48/1064264948.db2.gz GZGIKFZURRQGKF-WIYYLYMNSA-N 0 0 471.621 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@H]1CCC(F)(F)C1 ZINC001545856918 1064265386 /nfs/dbraw/zinc/26/53/86/1064265386.db2.gz KYNCRBKJCBFXTQ-AWEZNQCLSA-N 0 0 496.400 4.915 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001545857050 1064265534 /nfs/dbraw/zinc/26/55/34/1064265534.db2.gz NMMBXPYTUDEIIB-NRFANRHFSA-N 0 0 498.697 4.743 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCCOc1ccccc1 ZINC001359717000 1064265649 /nfs/dbraw/zinc/26/56/49/1064265649.db2.gz DVRMYIZPMXZSTI-UHFFFAOYSA-N 0 0 475.424 4.899 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545857159 1064265846 /nfs/dbraw/zinc/26/58/46/1064265846.db2.gz QAWMIFHJPAZZCG-QZTJIDSGSA-N 0 0 471.646 4.582 20 0 JJADRN CC(C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359718061 1064266065 /nfs/dbraw/zinc/26/60/65/1064266065.db2.gz QRSLYYVWXGLPLH-UHFFFAOYSA-N 0 0 481.975 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CCc1ccsc1 ZINC001545857540 1064266571 /nfs/dbraw/zinc/26/65/71/1064266571.db2.gz YUDXOBCNNUVIHX-UHFFFAOYSA-N 0 0 488.455 4.783 20 0 JJADRN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001545857771 1064266583 /nfs/dbraw/zinc/26/65/83/1064266583.db2.gz CXZZPLYFOAJGQY-LBPRGKRZSA-N 0 0 459.358 4.645 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359719689 1064267363 /nfs/dbraw/zinc/26/73/63/1064267363.db2.gz UEKKBDQTMFWSGV-QGZVFWFLSA-N 0 0 496.578 4.870 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CCSCC(F)(F)F ZINC001545859239 1064267622 /nfs/dbraw/zinc/26/76/22/1064267622.db2.gz HQZCQAWVIRLMTP-NVXWUHKLSA-N 0 0 461.598 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H]1CCc2ccccc21 ZINC001545859640 1064268192 /nfs/dbraw/zinc/26/81/92/1064268192.db2.gz QLJQISLUANGCKJ-KRWDZBQOSA-N 0 0 461.532 4.625 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359722039 1064268469 /nfs/dbraw/zinc/26/84/69/1064268469.db2.gz KPRFAUKVYFDMNY-GOSISDBHSA-N 0 0 465.451 4.544 20 0 JJADRN CC(C)c1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@@H](C)c1nccs1 ZINC001359720990 1064268539 /nfs/dbraw/zinc/26/85/39/1064268539.db2.gz KGJGDYUXGRFWKQ-GOSISDBHSA-N 0 0 475.062 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CC(C)(C)C(F)(F)F ZINC001545861114 1064269018 /nfs/dbraw/zinc/26/90/18/1064269018.db2.gz RAYDEYLOCIYFHA-UHFFFAOYSA-N 0 0 499.603 4.946 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCOCC1CCOCC1 ZINC001359722864 1064268995 /nfs/dbraw/zinc/26/89/95/1064268995.db2.gz DYRVIZFIVBWXOG-QFIPXVFZSA-N 0 0 496.574 4.832 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1Cc1c(C)coc1C ZINC001545861009 1064269173 /nfs/dbraw/zinc/26/91/73/1064269173.db2.gz NDAHGJKAFQPXMT-UHFFFAOYSA-N 0 0 477.609 4.554 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1Cc1sccc1C ZINC001545861245 1064269581 /nfs/dbraw/zinc/26/95/81/1064269581.db2.gz VXGKEPXZRRRHJN-UHFFFAOYSA-N 0 0 497.640 4.853 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)c2cc(Cl)cc(Cl)c2N)nc(N2CCCCC2)n1 ZINC001545861407 1064269623 /nfs/dbraw/zinc/26/96/23/1064269623.db2.gz CDAWVHLIQOTRCK-UHFFFAOYSA-N 0 0 450.414 4.963 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359723122 1064269608 /nfs/dbraw/zinc/26/96/08/1064269608.db2.gz KFUSDCSPXBXAQC-OAQYLSRUSA-N 0 0 453.562 4.739 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001545862450 1064270258 /nfs/dbraw/zinc/27/02/58/1064270258.db2.gz JKQKROLUGKJEDM-UHFFFAOYSA-N 0 0 499.675 4.956 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCc1cc(C)ccc1OC ZINC001545862519 1064270269 /nfs/dbraw/zinc/27/02/69/1064270269.db2.gz LGYCXXWBBUTMRS-HXUWFJFHSA-N 0 0 455.647 4.629 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001545862385 1064270322 /nfs/dbraw/zinc/27/03/22/1064270322.db2.gz IAQSPMPRYJHPBT-QGZVFWFLSA-N 0 0 492.064 4.788 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CC(C)(C)c1ccccn1 ZINC001359723498 1064270757 /nfs/dbraw/zinc/27/07/57/1064270757.db2.gz TWCDXLPSJJLBHE-HXUWFJFHSA-N 0 0 471.552 4.954 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CC(C)(C)c1ccccn1 ZINC001359723497 1064270792 /nfs/dbraw/zinc/27/07/92/1064270792.db2.gz TWCDXLPSJJLBHE-FQEVSTJZSA-N 0 0 471.552 4.954 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359723776 1064271316 /nfs/dbraw/zinc/27/13/16/1064271316.db2.gz YQUCMLJVLNGNTG-FOIQADDNSA-N 0 0 453.033 4.664 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)c1nccs1 ZINC001359723771 1064271405 /nfs/dbraw/zinc/27/14/05/1064271405.db2.gz YOQITMGMGRVTQR-MAUKXSAKSA-N 0 0 463.554 4.841 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359723724 1064271416 /nfs/dbraw/zinc/27/14/16/1064271416.db2.gz XVQQLQLJHFMWSH-DNVCBOLYSA-N 0 0 489.945 4.656 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)c1nccs1 ZINC001359723770 1064271441 /nfs/dbraw/zinc/27/14/41/1064271441.db2.gz YOQITMGMGRVTQR-CRAIPNDOSA-N 0 0 463.554 4.841 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1cc(-c2ccccc2)no1 ZINC001545864640 1064272411 /nfs/dbraw/zinc/27/24/11/1064272411.db2.gz YDIYZPIXMNIILJ-UHFFFAOYSA-N 0 0 490.530 4.679 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)c1nc(C)cs1 ZINC001545864686 1064272559 /nfs/dbraw/zinc/27/25/59/1064272559.db2.gz ZLXXOFDAMYZLDO-CYBMUJFWSA-N 0 0 472.581 4.544 20 0 JJADRN CC(C)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359726082 1064272813 /nfs/dbraw/zinc/27/28/13/1064272813.db2.gz BNIGKAVLASDXGC-SFHVURJKSA-N 0 0 451.681 4.913 20 0 JJADRN CC(C)c1nnc(N2CCOC3(C2)CCCCCC3)n1Cc1ccc(I)cc1 ZINC001359725641 1064272836 /nfs/dbraw/zinc/27/28/36/1064272836.db2.gz OZZJJLHNSUQWKM-UHFFFAOYSA-N 0 0 494.421 4.984 20 0 JJADRN CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359727087 1064273459 /nfs/dbraw/zinc/27/34/59/1064273459.db2.gz IKSWJHFJDNDXRN-QGZVFWFLSA-N 0 0 453.509 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1CC1(c2ccccc2OC)CC1 ZINC001545865513 1064273795 /nfs/dbraw/zinc/27/37/95/1064273795.db2.gz DINBIEZUYXVAMV-RUZDIDTESA-N 0 0 453.631 4.563 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359727319 1064274210 /nfs/dbraw/zinc/27/42/10/1064274210.db2.gz PKFFBQSMSGMNJX-KSEOMHKRSA-N 0 0 471.621 4.991 20 0 JJADRN CC(C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1ccccc1OCC(F)(F)F ZINC001359728031 1064274829 /nfs/dbraw/zinc/27/48/29/1064274829.db2.gz PYRBBAHKYHBQSP-MRXNPFEDSA-N 0 0 456.419 4.911 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)c1nccs1 ZINC001359727794 1064274947 /nfs/dbraw/zinc/27/49/47/1064274947.db2.gz HFDLROFQFLGJKU-QXAKKESOSA-N 0 0 474.675 4.791 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCC2(C)C)C1 ZINC001359728506 1064276009 /nfs/dbraw/zinc/27/60/09/1064276009.db2.gz FGEMQSFQLRRRCJ-FCHUYYIVSA-N 0 0 487.714 4.894 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CCCOC3CCCCC3)CC2)n1 ZINC001359728383 1064276106 /nfs/dbraw/zinc/27/61/06/1064276106.db2.gz CCQSKMZWZMGGBN-FQEVSTJZSA-N 0 0 473.666 4.531 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1sccc1Br ZINC001545866218 1064276170 /nfs/dbraw/zinc/27/61/70/1064276170.db2.gz YWUFVHQZQLRIEE-UHFFFAOYSA-N 0 0 468.465 4.695 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001545866167 1064276255 /nfs/dbraw/zinc/27/62/55/1064276255.db2.gz XHWQLYPHCAKQCK-UHFFFAOYSA-N 0 0 467.536 4.770 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCC2(C)C)C1 ZINC001359728509 1064276721 /nfs/dbraw/zinc/27/67/21/1064276721.db2.gz FGEMQSFQLRRRCJ-YADHBBJMSA-N 0 0 487.714 4.894 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001359728734 1064277299 /nfs/dbraw/zinc/27/72/99/1064277299.db2.gz KARLGZYUNKZBBE-FUPPJEDESA-N 0 0 488.076 4.795 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001359728893 1064277341 /nfs/dbraw/zinc/27/73/41/1064277341.db2.gz NVEDUMUYRZONLG-GOSISDBHSA-N 0 0 463.573 4.581 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001359728712 1064277372 /nfs/dbraw/zinc/27/73/72/1064277372.db2.gz JHTPCKBEJHBNRF-MHECFPHRSA-N 0 0 486.458 4.826 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001359728905 1064277870 /nfs/dbraw/zinc/27/78/70/1064277870.db2.gz OAVXPMTYPKPPDF-IEBWSBKVSA-N 0 0 466.598 4.656 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001545868060 1064277970 /nfs/dbraw/zinc/27/79/70/1064277970.db2.gz LBPGGIOZYLVAGP-IAGOWNOFSA-N 0 0 481.563 4.558 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)NC2CC2)C1 ZINC001359728932 1064277971 /nfs/dbraw/zinc/27/79/71/1064277971.db2.gz ORVPVWIVODUESB-GOSISDBHSA-N 0 0 474.447 4.639 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](OC)c1ccccc1 ZINC001545867512 1064278014 /nfs/dbraw/zinc/27/80/14/1064278014.db2.gz CVFLIEIECNHTQW-UGKGYDQZSA-N 0 0 453.631 4.601 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001359729137 1064278414 /nfs/dbraw/zinc/27/84/14/1064278414.db2.gz SVVXPMBDUVZGAC-BEFAXECRSA-N 0 0 492.437 4.634 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001359729139 1064278593 /nfs/dbraw/zinc/27/85/93/1064278593.db2.gz SVVXPMBDUVZGAC-HNAYVOBHSA-N 0 0 492.437 4.634 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001545868062 1064278588 /nfs/dbraw/zinc/27/85/88/1064278588.db2.gz LBPGGIOZYLVAGP-SJORKVTESA-N 0 0 481.563 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545868260 1064278658 /nfs/dbraw/zinc/27/86/58/1064278658.db2.gz NXPVJGPTOKYPSX-OALUTQOASA-N 0 0 492.624 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545868237 1064278750 /nfs/dbraw/zinc/27/87/50/1064278750.db2.gz NMWPLNAEPWRNNZ-JXFKEZNVSA-N 0 0 481.563 4.811 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545868324 1064279335 /nfs/dbraw/zinc/27/93/35/1064279335.db2.gz OWJPKFSQJBFRAS-UEXGIBASSA-N 0 0 459.610 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545868480 1064279920 /nfs/dbraw/zinc/27/99/20/1064279920.db2.gz QVKHIYJGHPBNGD-SFTDATJTSA-N 0 0 467.658 4.989 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CCc1csc(C)n1 ZINC001545870001 1064281993 /nfs/dbraw/zinc/28/19/93/1064281993.db2.gz DKBPISOTHZCPEY-JTSKRJEESA-N 0 0 466.655 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1C[C@H](C)c1ncc(C)s1 ZINC001545870055 1064282103 /nfs/dbraw/zinc/28/21/03/1064282103.db2.gz FOQRJSIVYQWYGM-PXNSSMCTSA-N 0 0 496.681 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001545870056 1064282125 /nfs/dbraw/zinc/28/21/25/1064282125.db2.gz FOQRJSIVYQWYGM-XLIONFOSSA-N 0 0 496.681 4.768 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)C1 ZINC001359730876 1064282405 /nfs/dbraw/zinc/28/24/05/1064282405.db2.gz CSFKTDMRFYLAJR-QUCCMNQESA-N 0 0 475.659 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1CC1(CC)CCC1 ZINC001545870216 1064282501 /nfs/dbraw/zinc/28/25/01/1064282501.db2.gz IWEHKZSWSGRQGK-HXUWFJFHSA-N 0 0 453.631 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCC1CCC(OC)CC1 ZINC001545870152 1064282801 /nfs/dbraw/zinc/28/28/01/1064282801.db2.gz HSFCNNUVCPPSMD-MMPATGFWSA-N 0 0 485.648 4.925 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 ZINC001359731037 1064282843 /nfs/dbraw/zinc/28/28/43/1064282843.db2.gz GLKTXWVUBMDSDN-LJQANCHMSA-N 0 0 450.631 4.527 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359731031 1064283006 /nfs/dbraw/zinc/28/30/06/1064283006.db2.gz GJUZUCGOOTYUSG-FGZHOGPDSA-N 0 0 482.673 4.783 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1Cc1cnn(CC(C)C)c1C ZINC001545870267 1064283594 /nfs/dbraw/zinc/28/35/94/1064283594.db2.gz KDJHTCDVVWADOB-OAQYLSRUSA-N 0 0 495.647 4.539 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(C)CC(F)(F)F)C1 ZINC001359731305 1064283893 /nfs/dbraw/zinc/28/38/93/1064283893.db2.gz JYLDTVVOKOGEGR-QGZVFWFLSA-N 0 0 473.534 4.904 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359731078 1064283941 /nfs/dbraw/zinc/28/39/41/1064283941.db2.gz HFIXXYMPSPINAO-BVYCBKJFSA-N 0 0 461.601 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1C[C@H](C)c1c(C)noc1C ZINC001545870420 1064283901 /nfs/dbraw/zinc/28/39/01/1064283901.db2.gz NISPGELENSXKBR-OXJNMPFZSA-N 0 0 482.604 4.738 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359731493 1064284388 /nfs/dbraw/zinc/28/43/88/1064284388.db2.gz NCYKTNYFLXBFBB-OAQYLSRUSA-N 0 0 495.672 4.646 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001359731526 1064284481 /nfs/dbraw/zinc/28/44/81/1064284481.db2.gz OBIZSXOTHDOVRU-VXKWHMMOSA-N 0 0 473.662 4.612 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C1 ZINC001359731919 1064284895 /nfs/dbraw/zinc/28/48/95/1064284895.db2.gz VAEXIEHKQRWXPP-OAQYLSRUSA-N 0 0 475.678 4.570 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)C1 ZINC001359731898 1064285052 /nfs/dbraw/zinc/28/50/52/1064285052.db2.gz UVDTXNMMOKNBTG-LEWJYISDSA-N 0 0 475.678 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545870694 1064285068 /nfs/dbraw/zinc/28/50/68/1064285068.db2.gz TXYLSQKALVPAHV-MUUNZHRXSA-N 0 0 497.684 4.617 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001359731975 1064285527 /nfs/dbraw/zinc/28/55/27/1064285527.db2.gz VUHAEUYFWKTQBC-SJORKVTESA-N 0 0 452.521 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001545870814 1064285861 /nfs/dbraw/zinc/28/58/61/1064285861.db2.gz XKLKYAWZWSCOMT-RUZDIDTESA-N 0 0 471.671 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001545870705 1064285907 /nfs/dbraw/zinc/28/59/07/1064285907.db2.gz UDIYQRKFKAZPLG-WNCULLNHSA-N 0 0 467.658 4.928 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359732214 1064286321 /nfs/dbraw/zinc/28/63/21/1064286321.db2.gz ZFHACODURGAGOJ-VSKRKVRLSA-N 0 0 475.678 4.692 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)C1 ZINC001359732348 1064286336 /nfs/dbraw/zinc/28/63/36/1064286336.db2.gz CEYFPVGVYINAJF-VXKWHMMOSA-N 0 0 485.677 4.589 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1 ZINC001359732416 1064286875 /nfs/dbraw/zinc/28/68/75/1064286875.db2.gz DOBMPUKELLHAES-IRXDYDNUSA-N 0 0 452.466 4.957 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@@H](C)Oc1ccccc1C ZINC001545871906 1064287184 /nfs/dbraw/zinc/28/71/84/1064287184.db2.gz BSSJHHIXWLKHJI-NQIIRXRSSA-N 0 0 489.611 4.844 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001545872160 1064287622 /nfs/dbraw/zinc/28/76/22/1064287622.db2.gz IRRWSRZOXCMQGK-NRFANRHFSA-N 0 0 484.670 4.538 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359732786 1064287779 /nfs/dbraw/zinc/28/77/79/1064287779.db2.gz KSWZCWCMJGAUDB-MOPGFXCFSA-N 0 0 478.410 4.612 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359732995 1064288353 /nfs/dbraw/zinc/28/83/53/1064288353.db2.gz PGFHVPXYUVFVIN-LJQANCHMSA-N 0 0 475.609 4.783 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359733074 1064289021 /nfs/dbraw/zinc/28/90/21/1064289021.db2.gz QZYMSXQEKCLJHB-VXKWHMMOSA-N 0 0 463.592 4.820 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359733073 1064289166 /nfs/dbraw/zinc/28/91/66/1064289166.db2.gz QZYMSXQEKCLJHB-FGZHOGPDSA-N 0 0 463.592 4.820 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359733101 1064289188 /nfs/dbraw/zinc/28/91/88/1064289188.db2.gz RRBGASCEVGZJMH-SFTDATJTSA-N 0 0 471.612 4.536 20 0 JJADRN 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ZINC001359741139 1064310807 /nfs/dbraw/zinc/31/08/07/1064310807.db2.gz NLPRHIKDHQBYHS-UHFFFAOYSA-N 0 0 493.656 4.918 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001359741196 1064310837 /nfs/dbraw/zinc/31/08/37/1064310837.db2.gz PAISUESAJCGIID-QUCCMNQESA-N 0 0 467.511 4.723 20 0 JJADRN CCOc1c(F)cccc1C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC001434878368 1064311681 /nfs/dbraw/zinc/31/16/81/1064311681.db2.gz XERPWOSQIMMJPD-UHFFFAOYSA-N 0 0 450.510 4.523 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)[C@H](C)c1cc2ccccc2o1 ZINC001434879166 1064311738 /nfs/dbraw/zinc/31/17/38/1064311738.db2.gz PEHDTVNEOXLSRR-IEBWSBKVSA-N 0 0 450.535 4.803 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)(C)C)C1 ZINC001359742600 1064312203 /nfs/dbraw/zinc/31/22/03/1064312203.db2.gz RRWRCTKGFNFMKV-VQTJNVASSA-N 0 0 463.667 4.690 20 0 JJADRN CCCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)[C@@H](C)c1cc2ccccc2o1 ZINC001434879341 1064312100 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FLBRWENJZFQJDJ-IBGZPJMESA-N 0 0 462.038 4.919 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)c2c(C)ccc(F)c2Br)CCOCC1 ZINC001434881744 1064313649 /nfs/dbraw/zinc/31/36/49/1064313649.db2.gz FDHFDZZUPAPUBK-UHFFFAOYSA-N 0 0 450.348 4.692 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC001434881923 1064314595 /nfs/dbraw/zinc/31/45/95/1064314595.db2.gz GBHAMBMDIRIMMD-GAJHUEQPSA-N 0 0 458.961 4.635 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1 ZINC001434884326 1064316080 /nfs/dbraw/zinc/31/60/80/1064316080.db2.gz NNPXCEMPVKEDQX-LBPRGKRZSA-N 0 0 457.324 4.645 20 0 JJADRN COc1cc(Br)c(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC001434884280 1064316136 /nfs/dbraw/zinc/31/61/36/1064316136.db2.gz ITBZHPRWIMFLTA-LLVKDONJSA-N 0 0 450.358 4.776 20 0 JJADRN CC(C)C1CCN(c2nnc(CCOc3ccccc3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001359744636 1064316392 /nfs/dbraw/zinc/31/63/92/1064316392.db2.gz NRBPWRFWNQQGAY-UHFFFAOYSA-N 0 0 471.646 4.687 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CCn2cc(Br)cn2)C1 ZINC001359744545 1064316553 /nfs/dbraw/zinc/31/65/53/1064316553.db2.gz LCPCOHVUHLUCJI-FQEVSTJZSA-N 0 0 471.447 4.595 20 0 JJADRN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 ZINC001434884425 1064316779 /nfs/dbraw/zinc/31/67/79/1064316779.db2.gz IYFWKEINVYBSDB-UHFFFAOYSA-N 0 0 452.436 4.578 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1nc(Br)c2ccccn21 ZINC001434885260 1064317685 /nfs/dbraw/zinc/31/76/85/1064317685.db2.gz RNPYXZOQROXRAR-CYBMUJFWSA-N 0 0 450.720 4.560 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001359745197 1064317965 /nfs/dbraw/zinc/31/79/65/1064317965.db2.gz CNXVDQFFDFNVRF-CEWLAPEOSA-N 0 0 461.651 4.648 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001359745200 1064318067 /nfs/dbraw/zinc/31/80/67/1064318067.db2.gz CNXVDQFFDFNVRF-SESVDKBCSA-N 0 0 461.651 4.648 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001359745165 1064318085 /nfs/dbraw/zinc/31/80/85/1064318085.db2.gz BSMFFZAEMWUACP-UHFFFAOYSA-N 0 0 495.089 4.740 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2Br)cc1Cl ZINC001434886232 1064318405 /nfs/dbraw/zinc/31/84/05/1064318405.db2.gz RHVOZHINYWWYKE-UHFFFAOYSA-N 0 0 455.736 4.512 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)CCCC1 ZINC001434886492 1064318418 /nfs/dbraw/zinc/31/84/18/1064318418.db2.gz SDJMBFRLOZFARE-QHCPKHFHSA-N 0 0 452.595 4.964 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)cc1 ZINC001434886834 1064318468 /nfs/dbraw/zinc/31/84/68/1064318468.db2.gz VMXJGWZTOSFAQK-GOSISDBHSA-N 0 0 456.546 4.874 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1C ZINC001434886175 1064318475 /nfs/dbraw/zinc/31/84/75/1064318475.db2.gz OKGIPOSQTRPXIX-UHFFFAOYSA-N 0 0 453.402 4.536 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2nc(CNC(=O)OC(C)(C)C)sc2C)CCCC1 ZINC001434886771 1064318529 /nfs/dbraw/zinc/31/85/29/1064318529.db2.gz ULXWBWUDFRLNNH-UHFFFAOYSA-N 0 0 459.612 4.727 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)c2ccco2)C1 ZINC001359745251 1064319019 /nfs/dbraw/zinc/31/90/19/1064319019.db2.gz DEYXPKGBYVVICI-MRXNPFEDSA-N 0 0 492.407 4.669 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001359745473 1064319774 /nfs/dbraw/zinc/31/97/74/1064319774.db2.gz KFLOKZZIWUBSBT-SANMLTNESA-N 0 0 472.699 4.895 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001359745471 1064319829 /nfs/dbraw/zinc/31/98/29/1064319829.db2.gz KEZBCQGSLFTANY-QCKQGSCRSA-N 0 0 489.686 4.500 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001434889015 1064319936 /nfs/dbraw/zinc/31/99/36/1064319936.db2.gz WBYSNQIKCRSSTC-UHFFFAOYSA-N 0 0 453.402 4.536 20 0 JJADRN COC(=O)COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)c1 ZINC001434889380 1064320018 /nfs/dbraw/zinc/32/00/18/1064320018.db2.gz GYFKHGFGFWPYAJ-UHFFFAOYSA-N 0 0 455.514 4.960 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC(C)(C)C)cc2)c1 ZINC001434889296 1064320106 /nfs/dbraw/zinc/32/01/06/1064320106.db2.gz IFDCOZGWDNBMDR-UHFFFAOYSA-N 0 0 453.004 4.524 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001359745741 1064320538 /nfs/dbraw/zinc/32/05/38/1064320538.db2.gz PUIZKJGEDASZEL-JKLQHZFJSA-N 0 0 475.678 4.594 20 0 JJADRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1csc(I)c1 ZINC001434890595 1064320783 /nfs/dbraw/zinc/32/07/83/1064320783.db2.gz WVDHXQAOMQQGGU-VIFPVBQESA-N 0 0 455.239 4.569 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC=CO2)C1 ZINC001359745949 1064321270 /nfs/dbraw/zinc/32/12/70/1064321270.db2.gz VVMCGAAUPPEZJY-FXAWDEMLSA-N 0 0 461.404 4.795 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001359745918 1064321302 /nfs/dbraw/zinc/32/13/02/1064321302.db2.gz UQCZFNCMRLIJNP-FCEUIQTBSA-N 0 0 475.678 4.895 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001434891529 1064321404 /nfs/dbraw/zinc/32/14/04/1064321404.db2.gz VWJKZOAMAAKEKX-UHFFFAOYSA-N 0 0 456.127 4.988 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359745968 1064321998 /nfs/dbraw/zinc/32/19/98/1064321998.db2.gz WFSDAOSPSSCLGK-XUVXKRRUSA-N 0 0 463.667 4.546 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001359746082 1064322030 /nfs/dbraw/zinc/32/20/30/1064322030.db2.gz YJLCTVLQCYBOOB-FQEVSTJZSA-N 0 0 494.467 4.951 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)c2cc3c(cccc3N(C)C)s2)cc1OC ZINC001434893442 1064322402 /nfs/dbraw/zinc/32/24/02/1064322402.db2.gz HRQNYDTXLKNODC-UHFFFAOYSA-N 0 0 450.564 4.790 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)CCS1 ZINC001359746253 1064322726 /nfs/dbraw/zinc/32/27/26/1064322726.db2.gz BXMYVHYXIKYJMY-HNNXBMFYSA-N 0 0 460.392 4.659 20 0 JJADRN COc1cc(CCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)ccc1OCC(F)(F)F ZINC001434894507 1064323006 /nfs/dbraw/zinc/32/30/06/1064323006.db2.gz AAZQCWDCUWXSRC-LJQANCHMSA-N 0 0 453.457 4.765 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c(Cl)cc1Cl ZINC001434894442 1064323069 /nfs/dbraw/zinc/32/30/69/1064323069.db2.gz QUKAKLFWYUDFTJ-UHFFFAOYSA-N 0 0 453.225 4.809 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCc2cccnc2)CCS1 ZINC001359746409 1064323456 /nfs/dbraw/zinc/32/34/56/1064323456.db2.gz FUOMRGZHYFHLBG-FQEVSTJZSA-N 0 0 472.456 4.923 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)CCS1 ZINC001359746267 1064323534 /nfs/dbraw/zinc/32/35/34/1064323534.db2.gz CEMPZQWWWJSBCQ-QOEFQVSFSA-N 0 0 497.478 4.976 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359746590 1064324168 /nfs/dbraw/zinc/32/41/68/1064324168.db2.gz JQFGEWIGQKWWGK-RTBURBONSA-N 0 0 465.708 4.801 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccsc2)CCS1 ZINC001359746885 1064324902 /nfs/dbraw/zinc/32/49/02/1064324902.db2.gz OXZJOAVXDXBFDB-INIZCTEOSA-N 0 0 452.447 4.723 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCC2)CCS1 ZINC001359746808 1064325163 /nfs/dbraw/zinc/32/51/63/1064325163.db2.gz NUBSRFSJBXHWQI-HXUWFJFHSA-N 0 0 462.063 4.630 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)ccc2[nH]1 ZINC001434897302 1064325392 /nfs/dbraw/zinc/32/53/92/1064325392.db2.gz CSNDKUCPIWGCKE-KRWDZBQOSA-N 0 0 454.596 4.578 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ncccc2N(C)C)CCS1 ZINC001359747161 1064326567 /nfs/dbraw/zinc/32/65/67/1064326567.db2.gz VJFAYLMBKCTQFF-NRFANRHFSA-N 0 0 488.608 4.634 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccccn2)CCS1 ZINC001359747260 1064326696 /nfs/dbraw/zinc/32/66/96/1064326696.db2.gz XKURYEUGZKQJKK-HXUWFJFHSA-N 0 0 459.566 4.762 20 0 JJADRN CC(C)(C)c1ccc(CCCCC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC001434899371 1064327842 /nfs/dbraw/zinc/32/78/42/1064327842.db2.gz RANCRQXCTCLSKK-VWLOTQADSA-N 0 0 450.623 4.922 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)c1C ZINC001434900273 1064328116 /nfs/dbraw/zinc/32/81/16/1064328116.db2.gz NSAZLRHOMQOSGR-UHFFFAOYSA-N 0 0 451.907 4.847 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCOCC2CC2)CCO1 ZINC001359747412 1064328286 /nfs/dbraw/zinc/32/82/86/1064328286.db2.gz AVQMPBUWVWUUPC-HXUWFJFHSA-N 0 0 481.410 4.525 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001434901173 1064329026 /nfs/dbraw/zinc/32/90/26/1064329026.db2.gz LUBYNXKIFKGGOU-KKSFZXQISA-N 0 0 454.420 4.599 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001359747614 1064329624 /nfs/dbraw/zinc/32/96/24/1064329624.db2.gz FLRCHQTXYHSIBJ-MRXNPFEDSA-N 0 0 493.393 4.864 20 0 JJADRN CCN(Cc1ccccc1)C(=O)CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001434901762 1064329823 /nfs/dbraw/zinc/32/98/23/1064329823.db2.gz VJCYKUKBFWADNN-UHFFFAOYSA-N 0 0 457.546 4.531 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)N2CCOCC2)CCS1 ZINC001359747624 1064330392 /nfs/dbraw/zinc/33/03/92/1064330392.db2.gz FOGYEXAZZZJKDA-HXUWFJFHSA-N 0 0 498.524 4.941 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3cccc(F)c3)C(C)(C)C)s2)CC1 ZINC001434902197 1064330498 /nfs/dbraw/zinc/33/04/98/1064330498.db2.gz SDHMGFILRDSATA-HXUWFJFHSA-N 0 0 452.617 4.825 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)CCSc3ccc4c(c3)OCCO4)cc2s1 ZINC001434903345 1064331210 /nfs/dbraw/zinc/33/12/10/1064331210.db2.gz ADZLMZJYULGTIA-UHFFFAOYSA-N 0 0 459.549 4.757 20 0 JJADRN C[C@H](C(=O)N1CCC(c2cccc3ccccc32)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001434904940 1064332483 /nfs/dbraw/zinc/33/24/83/1064332483.db2.gz PUBABNNYJNVUCI-IBGZPJMESA-N 0 0 450.604 4.600 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001434904715 1064332561 /nfs/dbraw/zinc/33/25/61/1064332561.db2.gz KUCSHLGCPUNNSF-QGZVFWFLSA-N 0 0 457.258 4.629 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCOCC2)CCS1 ZINC001359748106 1064332708 /nfs/dbraw/zinc/33/27/08/1064332708.db2.gz OMAHVUIANPDTDA-LJQANCHMSA-N 0 0 483.451 4.851 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001359748301 1064333416 /nfs/dbraw/zinc/33/34/16/1064333416.db2.gz SLTKKQDNMUXHKV-AUSIDOKSSA-N 0 0 450.986 4.540 20 0 JJADRN C[C@@]1(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001434906914 1064333796 /nfs/dbraw/zinc/33/37/96/1064333796.db2.gz YIFMUKVVGGMNEQ-SQJMNOBHSA-N 0 0 458.505 4.830 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2CC(F)(F)C2)CCO1 ZINC001359748332 1064334308 /nfs/dbraw/zinc/33/43/08/1064334308.db2.gz SVVWARHLUNCMQP-QGZVFWFLSA-N 0 0 455.347 4.614 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCC2)CCS1 ZINC001359748470 1064334823 /nfs/dbraw/zinc/33/48/23/1064334823.db2.gz WEWQCNKDTWDRET-OAHLLOKOSA-N 0 0 471.490 4.652 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H](C)Cc3ccccc3)n2)cc1 ZINC001434908327 1064335317 /nfs/dbraw/zinc/33/53/17/1064335317.db2.gz 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JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359751777 1064340164 /nfs/dbraw/zinc/34/01/64/1064340164.db2.gz JEOYQZIOVLNPTR-RTWAWAEBSA-N 0 0 498.615 4.877 20 0 JJADRN CCOc1cc(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cc(OCC)c1OCC ZINC001434914409 1064341101 /nfs/dbraw/zinc/34/11/01/1064341101.db2.gz BAUANXOXHKFBGI-UHFFFAOYSA-N 0 0 450.491 4.749 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 ZINC001434914581 1064341230 /nfs/dbraw/zinc/34/12/30/1064341230.db2.gz FALPGFIQOKIVAA-MRXNPFEDSA-N 0 0 450.539 4.895 20 0 JJADRN O=C(CCCc1ccc2c(c1)CCCC2)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC001434915527 1064342045 /nfs/dbraw/zinc/34/20/45/1064342045.db2.gz UBPCELPLZBWLHD-UHFFFAOYSA-N 0 0 453.384 4.929 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OCC(F)(F)F)CCO1 ZINC001359753210 1064342394 /nfs/dbraw/zinc/34/23/94/1064342394.db2.gz FAMZORZFRVRMHQ-HXUWFJFHSA-N 0 0 480.556 4.781 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)ccc1C(C)C 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DKIPVNBSVOIPQS-JOCHJYFZSA-N 0 0 498.697 4.774 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CCS1 ZINC001359754664 1064345240 /nfs/dbraw/zinc/34/52/40/1064345240.db2.gz JQJZVWRVYIGVLH-RTBURBONSA-N 0 0 453.077 4.984 20 0 JJADRN O=C(NCc1ccccc1Oc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001434918309 1064345528 /nfs/dbraw/zinc/34/55/28/1064345528.db2.gz DMUQKLHFRRVCBR-OAQYLSRUSA-N 0 0 452.963 4.964 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C[S@](C)=O)cc2)CCS1 ZINC001359754933 1064346394 /nfs/dbraw/zinc/34/63/94/1064346394.db2.gz OTPJRWFMPVYEPQ-UVDDSOTQSA-N 0 0 460.713 4.515 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccc1 ZINC001434919521 1064346493 /nfs/dbraw/zinc/34/64/93/1064346493.db2.gz DUDJIMZZEGKSBP-RPWUZVMVSA-N 0 0 457.542 4.583 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)CCS1 ZINC001359754985 1064346587 /nfs/dbraw/zinc/34/65/87/1064346587.db2.gz PWFRXSUPNQWWJV-IBGZPJMESA-N 0 0 470.712 4.838 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1nc(C)ncc1Br ZINC001434921069 1064348959 /nfs/dbraw/zinc/34/89/59/1064348959.db2.gz NURRPJGMNACEOF-MRXNPFEDSA-N 0 0 454.368 4.830 20 0 JJADRN C[C@H](C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(I)cc1 ZINC001434920884 1064349047 /nfs/dbraw/zinc/34/90/47/1064349047.db2.gz PMBZOLUWXMPGGZ-LBPRGKRZSA-N 0 0 451.695 4.873 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1nc(C)ncc1Br ZINC001434921066 1064349069 /nfs/dbraw/zinc/34/90/69/1064349069.db2.gz NURRPJGMNACEOF-INIZCTEOSA-N 0 0 454.368 4.830 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)CCS1 ZINC001359755499 1064349565 /nfs/dbraw/zinc/34/95/65/1064349565.db2.gz BCHUKFYCCRUCRO-MSOLQXFVSA-N 0 0 484.592 4.623 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Sc3nccn3C)CC2=O)cc1C ZINC001434921124 1064349819 /nfs/dbraw/zinc/34/98/19/1064349819.db2.gz QYFROISJNWSVHR-MRXNPFEDSA-N 0 0 454.983 4.833 20 0 JJADRN C[C@H]1[C@H](C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)CCN1C(=O)OC(C)(C)C ZINC001434922689 1064351361 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JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[C@]3(C)c3cccc(Br)c3)ccc21 ZINC001434924838 1064352966 /nfs/dbraw/zinc/35/29/66/1064352966.db2.gz RWLRRWNTTRDBRG-WMZHIEFXSA-N 0 0 455.352 4.883 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cc(F)cc(F)c2)CCO1 ZINC001359756331 1064353423 /nfs/dbraw/zinc/35/34/23/1064353423.db2.gz PGIWNBSOONBTTE-BHIFYINESA-N 0 0 462.585 4.579 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCOC(F)F)CCO1 ZINC001359756374 1064353465 /nfs/dbraw/zinc/35/34/65/1064353465.db2.gz QGWIXLOUBZSALD-QGZVFWFLSA-N 0 0 479.355 4.654 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOCC1CC1 ZINC001359756381 1064353476 /nfs/dbraw/zinc/35/34/76/1064353476.db2.gz QIJMOLMKCPSTGG-DYESRHJHSA-N 0 0 495.437 4.771 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC2CCCC2)CCO1 ZINC001359756528 1064354085 /nfs/dbraw/zinc/35/40/85/1064354085.db2.gz UCKCAPLEMDKELY-QFIPXVFZSA-N 0 0 463.022 4.721 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNc2ccccn2)CCO1 ZINC001359756522 1064354117 /nfs/dbraw/zinc/35/41/17/1064354117.db2.gz TUYDHQLEKMEZFD-OAQYLSRUSA-N 0 0 487.073 4.982 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC001434926251 1064354540 /nfs/dbraw/zinc/35/45/40/1064354540.db2.gz BAHYKRCCLJUZDW-UHFFFAOYSA-N 0 0 459.287 4.507 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCOC(C)(C)C ZINC001359756655 1064354805 /nfs/dbraw/zinc/35/48/05/1064354805.db2.gz VZVXVONPUFNEKR-QUCCMNQESA-N 0 0 466.573 4.859 20 0 JJADRN CC(C)(NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC001434927879 1064355099 /nfs/dbraw/zinc/35/50/99/1064355099.db2.gz DUASCCGMXAUCCL-MRXNPFEDSA-N 0 0 457.151 4.889 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCCc1ccccc1Cl ZINC001434927055 1064355168 /nfs/dbraw/zinc/35/51/68/1064355168.db2.gz QINUIYALVILMSX-UHFFFAOYSA-N 0 0 450.103 4.579 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(CO[C@H]4CCC[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001434928601 1064355692 /nfs/dbraw/zinc/35/56/92/1064355692.db2.gz JZZMJCRHEAUHOC-NNPHLICASA-N 0 0 450.579 4.949 20 0 JJADRN O=C(NCCCS(=O)(=O)c1ccccc1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001434928381 1064355713 /nfs/dbraw/zinc/35/57/13/1064355713.db2.gz CCWHBLISGSIIPL-UHFFFAOYSA-N 0 0 455.388 4.711 20 0 JJADRN C[C@@H](CC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC001434928521 1064355738 /nfs/dbraw/zinc/35/57/38/1064355738.db2.gz RULCTJXQKBHCKK-GOEBONIOSA-N 0 0 457.384 4.988 20 0 JJADRN C[C@H](CC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC001434928504 1064355745 /nfs/dbraw/zinc/35/57/45/1064355745.db2.gz RULCTJXQKBHCKK-GDBMZVCRSA-N 0 0 457.384 4.988 20 0 JJADRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001434928527 1064355791 /nfs/dbraw/zinc/35/57/91/1064355791.db2.gz LNPLYWGURAXIAN-QFIPXVFZSA-N 0 0 451.567 4.826 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001359757118 1064356124 /nfs/dbraw/zinc/35/61/24/1064356124.db2.gz 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JJADRN Cc1cc(Br)cc(C)c1CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001434931865 1064358324 /nfs/dbraw/zinc/35/83/24/1064358324.db2.gz HLYJJXUVYHLGKD-UHFFFAOYSA-N 0 0 450.398 4.712 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCOCC1 ZINC001359757613 1064358386 /nfs/dbraw/zinc/35/83/86/1064358386.db2.gz JMRDYSXKFCAZAW-RXVVDRJESA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 ZINC001359757539 1064358459 /nfs/dbraw/zinc/35/84/59/1064358459.db2.gz IRBPVJJGUIEHOG-CFBBYLOMSA-N 0 0 493.668 4.638 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001434932774 1064358920 /nfs/dbraw/zinc/35/89/20/1064358920.db2.gz SCKARLNZGQQLOQ-UHFFFAOYSA-N 0 0 454.924 4.953 20 0 JJADRN CC[C@H](SC)C(=O)Nc1ccccc1NC(=O)c1ccccc1I ZINC001434932734 1064358955 /nfs/dbraw/zinc/35/89/55/1064358955.db2.gz RWWUFDUDYUWSOW-INIZCTEOSA-N 0 0 454.333 4.624 20 0 JJADRN CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC001434933419 1064358994 /nfs/dbraw/zinc/35/89/94/1064358994.db2.gz QXIMHSXSJOLJDU-KZULUSFZSA-N 0 0 452.370 4.966 20 0 JJADRN CCCOC(=O)c1cc(Br)ccc1NC(=O)CSCC(=O)c1ccccc1 ZINC001434933413 1064359017 /nfs/dbraw/zinc/35/90/17/1064359017.db2.gz QUXLUJWCZOAFOM-UHFFFAOYSA-N 0 0 450.354 4.571 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001359757885 1064359007 /nfs/dbraw/zinc/35/90/07/1064359007.db2.gz MHBKMYDDUQERPT-KSSFIOAISA-N 0 0 466.533 4.513 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001359757884 1064359053 /nfs/dbraw/zinc/35/90/53/1064359053.db2.gz MHBKMYDDUQERPT-KDOFPFPSSA-N 0 0 466.533 4.513 20 0 JJADRN O=C(Oc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001434933503 1064360047 /nfs/dbraw/zinc/36/00/47/1064360047.db2.gz AGDBOYXPORLPHX-OALUTQOASA-N 0 0 454.375 4.877 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001359758169 1064359991 /nfs/dbraw/zinc/35/99/91/1064359991.db2.gz QTBUNMVJGQZAHP-FSSWDIPSSA-N 0 0 487.645 4.683 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001359758405 1064360052 /nfs/dbraw/zinc/36/00/52/1064360052.db2.gz TZRWRNFECRDQKP-BEFAXECRSA-N 0 0 478.460 4.805 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001359758531 1064360533 /nfs/dbraw/zinc/36/05/33/1064360533.db2.gz VKLQCERVKOSSQM-OXQOHEQNSA-N 0 0 453.414 4.522 20 0 JJADRN CCN(C(=O)c1cc(C)cc(Br)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434935592 1064361182 /nfs/dbraw/zinc/36/11/82/1064361182.db2.gz AYJRGGCSHBVSRY-UHFFFAOYSA-N 0 0 450.276 4.718 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759005 1064361314 /nfs/dbraw/zinc/36/13/14/1064361314.db2.gz BQAHJRSDTYZGGG-NFBKMPQASA-N 0 0 471.552 4.563 20 0 JJADRN NC(=O)C1(NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc32)CCCCC1 ZINC001434937046 1064361965 /nfs/dbraw/zinc/36/19/65/1064361965.db2.gz CYAKSTJZYOBAPV-UHFFFAOYSA-N 0 0 452.352 4.582 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCOc1ccccc1F ZINC001359759230 1064362523 /nfs/dbraw/zinc/36/25/23/1064362523.db2.gz FHBQERVOXQBOOJ-CVDCTZTESA-N 0 0 458.603 4.646 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359759194 1064362529 /nfs/dbraw/zinc/36/25/29/1064362529.db2.gz DWJANECWYMFNGX-JTSKRJEESA-N 0 0 465.425 4.860 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)c3nc(CNC(=O)OC(C)(C)C)sc3C)cc2)cs1 ZINC001434939662 1064362632 /nfs/dbraw/zinc/36/26/32/1064362632.db2.gz YYISVEAOGRRQSR-UHFFFAOYSA-N 0 0 458.609 4.838 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359759459 1064364146 /nfs/dbraw/zinc/36/41/46/1064364146.db2.gz IDRHEVNQTJJYMC-WMZHIEFXSA-N 0 0 484.442 4.724 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359759515 1064364228 /nfs/dbraw/zinc/36/42/28/1064364228.db2.gz IUPFGOAGRCXSQR-OFNKIYASSA-N 0 0 475.678 4.565 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001434943066 1064364990 /nfs/dbraw/zinc/36/49/90/1064364990.db2.gz DROJPRNFHWSGIB-QGZVFWFLSA-N 0 0 458.539 4.855 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001359759763 1064365857 /nfs/dbraw/zinc/36/58/57/1064365857.db2.gz LLOBOQKLORMVPA-QTEQDKRBSA-N 0 0 456.606 4.875 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001434946279 1064366492 /nfs/dbraw/zinc/36/64/92/1064366492.db2.gz ZAOFLLZUSUFWHS-UHFFFAOYSA-N 0 0 455.442 4.600 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1 ZINC001359760159 1064367882 /nfs/dbraw/zinc/36/78/82/1064367882.db2.gz QCQLYTPDWRZBKC-SJLPKXTDSA-N 0 0 456.484 4.843 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359760652 1064369472 /nfs/dbraw/zinc/36/94/72/1064369472.db2.gz XLSVOBRGODCSRV-NZQKXSOJSA-N 0 0 471.552 4.563 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1nc(C)sc1-c1ccccc1 ZINC001434949020 1064369765 /nfs/dbraw/zinc/36/97/65/1064369765.db2.gz ICBCKEHSTBGWOH-UHFFFAOYSA-N 0 0 456.467 4.673 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001359760892 1064370052 /nfs/dbraw/zinc/37/00/52/1064370052.db2.gz ABIAKBFCFQJLOS-OXJNMPFZSA-N 0 0 476.419 4.727 20 0 JJADRN CCCC[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950519 1064371164 /nfs/dbraw/zinc/37/11/64/1064371164.db2.gz UBESAPDMMPLLNV-QHCPKHFHSA-N 0 0 455.574 4.897 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001359761159 1064371705 /nfs/dbraw/zinc/37/17/05/1064371705.db2.gz DDAGIIVLLZWHJW-IZIIKQMZSA-N 0 0 451.615 4.888 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359761593 1064372279 /nfs/dbraw/zinc/37/22/79/1064372279.db2.gz JAEKMVVZZHTGOW-DENIHFKCSA-N 0 0 473.568 4.973 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001359761556 1064372291 /nfs/dbraw/zinc/37/22/91/1064372291.db2.gz IRZNOYLKWZATET-ZEQKJWHPSA-N 0 0 483.701 4.519 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2oc3c(cc(Br)cc3C)c2C)C2CC2)cc1 ZINC001434951730 1064372810 /nfs/dbraw/zinc/37/28/10/1064372810.db2.gz BXOAAQDMCYZKHR-UHFFFAOYSA-N 0 0 455.352 4.977 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359761924 1064373489 /nfs/dbraw/zinc/37/34/89/1064373489.db2.gz NRNHTZMHCJHLLA-ZRBLBEILSA-N 0 0 498.672 4.627 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359761922 1064373800 /nfs/dbraw/zinc/37/38/00/1064373800.db2.gz NRNHTZMHCJHLLA-VJBWXMMDSA-N 0 0 498.672 4.627 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC001434959286 1064374876 /nfs/dbraw/zinc/37/48/76/1064374876.db2.gz RXLPFHHMLIXWCE-OAQYLSRUSA-N 0 0 453.926 4.610 20 0 JJADRN O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC001434958929 1064375148 /nfs/dbraw/zinc/37/51/48/1064375148.db2.gz NUXFIDVBMLDCEC-UHFFFAOYSA-N 0 0 453.926 4.959 20 0 JJADRN Cc1cc(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)ccc1Br ZINC001434961219 1064376585 /nfs/dbraw/zinc/37/65/85/1064376585.db2.gz GXMHTIOPPDGCOG-UHFFFAOYSA-N 0 0 454.162 4.587 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cc(F)ccc1F ZINC001434960839 1064376810 /nfs/dbraw/zinc/37/68/10/1064376810.db2.gz KIMVAINYKXGWRK-SFHVURJKSA-N 0 0 455.335 4.768 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001359762956 1064377270 /nfs/dbraw/zinc/37/72/70/1064377270.db2.gz BEFMJJIEANNBTL-XMSQKQJNSA-N 0 0 465.063 4.902 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001359763005 1064378117 /nfs/dbraw/zinc/37/81/17/1064378117.db2.gz BWEUNFOZNMAXHF-LJUYRKFLSA-N 0 0 464.720 4.978 20 0 JJADRN CS[C@@H](C)CCC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001434963101 1064378077 /nfs/dbraw/zinc/37/80/77/1064378077.db2.gz CKORMPGPYJVLQM-DJJJIMSYSA-N 0 0 453.377 4.916 20 0 JJADRN Cc1csc(-c2cccc(C(=O)NCCC(=O)Nc3ccc(Br)cc3C)c2)n1 ZINC001434962797 1064378142 /nfs/dbraw/zinc/37/81/42/1064378142.db2.gz QBJOEVDEIKRHOA-UHFFFAOYSA-N 0 0 458.381 4.948 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C ZINC001359763006 1064378210 /nfs/dbraw/zinc/37/82/10/1064378210.db2.gz BWEUNFOZNMAXHF-PYXMZCFHSA-N 0 0 464.720 4.978 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CCC2CCOCC2)c1 ZINC001359763270 1064378859 /nfs/dbraw/zinc/37/88/59/1064378859.db2.gz HZHJLMKCZKQCLI-UHFFFAOYSA-N 0 0 478.641 4.569 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)c1 ZINC001359763399 1064379451 /nfs/dbraw/zinc/37/94/51/1064379451.db2.gz JLRVYTZMJIJPFT-JOCHJYFZSA-N 0 0 453.631 4.687 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CCC(F)(F)F ZINC001359763476 1064379571 /nfs/dbraw/zinc/37/95/71/1064379571.db2.gz KKNICDUQRJCPPT-NQIIRXRSSA-N 0 0 454.537 4.739 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC001434964391 1064379872 /nfs/dbraw/zinc/37/98/72/1064379872.db2.gz MAGBDJOXXPAQRM-GMBSWORKSA-N 0 0 451.311 4.913 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)nc1 ZINC001434964234 1064379909 /nfs/dbraw/zinc/37/99/09/1064379909.db2.gz VQIJOUKKSWAQLT-QHCPKHFHSA-N 0 0 451.954 4.639 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccco3)C2)c1 ZINC001359763505 1064380417 /nfs/dbraw/zinc/38/04/17/1064380417.db2.gz KRRILYFIELPWOV-QFIPXVFZSA-N 0 0 451.571 4.605 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1 ZINC001359763731 1064380815 /nfs/dbraw/zinc/38/08/15/1064380815.db2.gz PHBKORPJHMMDCK-UTKZUKDTSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001359763753 1064380906 /nfs/dbraw/zinc/38/09/06/1064380906.db2.gz PRUIOSZDAGOIER-GGAORHGYSA-N 0 0 473.706 4.692 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N(C)Cc2cc3c(cc2OC(F)F)OCO3)nnc1C(C)(C)C ZINC001359763972 1064381777 /nfs/dbraw/zinc/38/17/77/1064381777.db2.gz STWNRNTWIHZBFX-IERDGZPVSA-N 0 0 494.583 4.993 20 0 JJADRN COc1ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(C(F)(F)F)c1 ZINC001434966636 1064382149 /nfs/dbraw/zinc/38/21/49/1064382149.db2.gz HGISUCFSMRWARL-IBGZPJMESA-N 0 0 452.473 4.986 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC001434967170 1064382640 /nfs/dbraw/zinc/38/26/40/1064382640.db2.gz JPQIJLIJHCTHSN-UHFFFAOYSA-N 0 0 458.653 4.554 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NCc3ccc(OC)c(Br)c3)cc2s1 ZINC001434967586 1064382912 /nfs/dbraw/zinc/38/29/12/1064382912.db2.gz KZYKQDZYJMTNOX-UHFFFAOYSA-N 0 0 454.415 4.905 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359764268 1064383192 /nfs/dbraw/zinc/38/31/92/1064383192.db2.gz YBWDTPPKTNWNGY-QPPBQGQZSA-N 0 0 485.579 4.953 20 0 JJADRN COc1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C(F)(F)F)c1 ZINC001434967813 1064383667 /nfs/dbraw/zinc/38/36/67/1064383667.db2.gz OPZBMBYVGIWNJU-UHFFFAOYSA-N 0 0 453.464 4.971 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001359764546 1064383938 /nfs/dbraw/zinc/38/39/38/1064383938.db2.gz DIARLRUPYIIUOC-FXAWDEMLSA-N 0 0 481.563 4.666 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC3CCCC3)nnc2N(C)[C@@H]2CCSC2)c1 ZINC001359764521 1064383957 /nfs/dbraw/zinc/38/39/57/1064383957.db2.gz CPBIZZHXSOJVSQ-JOCHJYFZSA-N 0 0 455.672 4.985 20 0 JJADRN C[C@@H](Cc1ccco1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001434968656 1064384235 /nfs/dbraw/zinc/38/42/35/1064384235.db2.gz RXAQWJCOKPGBNM-FXAWDEMLSA-N 0 0 456.539 4.653 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001434968517 1064384286 /nfs/dbraw/zinc/38/42/86/1064384286.db2.gz SNYMPFCDHVIRCU-JZWVFAODSA-N 0 0 458.961 4.980 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCSC(C)(C)C2)c1 ZINC001359764662 1064384514 /nfs/dbraw/zinc/38/45/14/1064384514.db2.gz GRDBNOUIQGMOGV-NRFANRHFSA-N 0 0 471.671 4.884 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@@H](Oc4ccccn4)C3)nnc2C(C)(C)C)c1 ZINC001359764580 1064384537 /nfs/dbraw/zinc/38/45/37/1064384537.db2.gz FDHLMHDVMJTGFG-JOCHJYFZSA-N 0 0 476.625 4.661 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(F)(F)F)c1 ZINC001359764552 1064384637 /nfs/dbraw/zinc/38/46/37/1064384637.db2.gz DJXHVENJKCXPGY-UHFFFAOYSA-N 0 0 465.545 4.962 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NC(=O)CCc2ccsc2)c1 ZINC001434969256 1064385205 /nfs/dbraw/zinc/38/52/05/1064385205.db2.gz VPQWEOSNVFNFNA-FQEVSTJZSA-N 0 0 458.580 4.876 20 0 JJADRN CCC[C@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434970402 1064385914 /nfs/dbraw/zinc/38/59/14/1064385914.db2.gz NSQMQJHEWJIGJD-SANMLTNESA-N 0 0 459.590 4.915 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001359765043 1064385959 /nfs/dbraw/zinc/38/59/59/1064385959.db2.gz OOYDOYAFTKEHQB-OAQYLSRUSA-N 0 0 482.579 4.778 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1nc(-c2cccnc2)no1 ZINC001434972210 1064386667 /nfs/dbraw/zinc/38/66/67/1064386667.db2.gz VAKONTSBJBLGLY-FDDCHVKYSA-N 0 0 454.530 4.980 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)sc1C ZINC001434973153 1064387224 /nfs/dbraw/zinc/38/72/24/1064387224.db2.gz HNYHILTZXMKSMC-GOSISDBHSA-N 0 0 459.568 4.569 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cnn2cccc(Br)c12 ZINC001434972668 1064387292 /nfs/dbraw/zinc/38/72/92/1064387292.db2.gz ZQQMRGMOAUVCPK-UHFFFAOYSA-N 0 0 457.303 4.596 20 0 JJADRN Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)nn1-c1ccccc1 ZINC001434973764 1064388052 /nfs/dbraw/zinc/38/80/52/1064388052.db2.gz FWVFCDPPDWANRK-IBGZPJMESA-N 0 0 458.349 4.516 20 0 JJADRN 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451.546 4.999 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccnc(OCC(F)(F)F)c1 ZINC001434987082 1064403680 /nfs/dbraw/zinc/40/36/80/1064403680.db2.gz KPFPUMCBYVRQDO-UHFFFAOYSA-N 0 0 450.804 4.576 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3C(F)(F)F)CC2=O)cc1F ZINC001434988630 1064404255 /nfs/dbraw/zinc/40/42/55/1064404255.db2.gz QGDDCXNBUQLMBZ-INIZCTEOSA-N 0 0 452.448 4.609 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CCCc2cc(Br)cc(F)c21 ZINC001434988893 1064404333 /nfs/dbraw/zinc/40/43/33/1064404333.db2.gz MMWCLFPNFOKHEH-AWEZNQCLSA-N 0 0 455.121 4.806 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(OCc2ccccc2)cs1 ZINC001434988087 1064404372 /nfs/dbraw/zinc/40/43/72/1064404372.db2.gz XQHMQCCXUSLKRP-UHFFFAOYSA-N 0 0 459.365 4.767 20 0 JJADRN O=C(NCc1ccc(OCC2CC2)nc1)c1csc(-c2ccc(Br)s2)n1 ZINC001434988678 1064404466 /nfs/dbraw/zinc/40/44/66/1064404466.db2.gz QTCHKNLTFUDTHA-UHFFFAOYSA-N 0 0 450.383 4.748 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC 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PWAAQTRWYPMCIS-UHFFFAOYSA-N 0 0 455.765 4.968 20 0 JJADRN O=C(CCCc1ccc(Cl)cc1)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001434993594 1064408347 /nfs/dbraw/zinc/40/83/47/1064408347.db2.gz ISCYWDRRUBUKGG-NRFANRHFSA-N 0 0 454.920 4.871 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)cc2)C[C@@H](C)O1 ZINC001434993285 1064408391 /nfs/dbraw/zinc/40/83/91/1064408391.db2.gz WJPZXNASRLQKPQ-QZTJIDSGSA-N 0 0 455.986 4.832 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001434995715 1064409955 /nfs/dbraw/zinc/40/99/55/1064409955.db2.gz KKESYAOLKVNBQO-UHFFFAOYSA-N 0 0 456.377 4.763 20 0 JJADRN Cc1ccccc1CC(=O)N1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001434995211 1064409996 /nfs/dbraw/zinc/40/99/96/1064409996.db2.gz AQCWTNRXFYMNEF-UHFFFAOYSA-N 0 0 454.614 4.700 20 0 JJADRN CC(C)CC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001359773303 1064411564 /nfs/dbraw/zinc/41/15/64/1064411564.db2.gz LFRGSSKIJUJYDO-ZWKOTPCHSA-N 0 0 478.728 4.827 20 0 JJADRN CC(C)CC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001359773351 1064411656 /nfs/dbraw/zinc/41/16/56/1064411656.db2.gz MHWCXEGKQLNYLL-QZTJIDSGSA-N 0 0 460.022 4.565 20 0 JJADRN CN(Cc1cc(Br)ccc1F)C(=O)Cc1noc2ccc(Br)cc21 ZINC001434996809 1064411823 /nfs/dbraw/zinc/41/18/23/1064411823.db2.gz IBAMEFSIXAHXHJ-UHFFFAOYSA-N 0 0 456.109 4.693 20 0 JJADRN CC(C)CC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001359773993 1064413437 /nfs/dbraw/zinc/41/34/37/1064413437.db2.gz FTYBDNQRFGZZIT-QGZVFWFLSA-N 0 0 462.063 4.752 20 0 JJADRN CC(C)CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359773979 1064413500 /nfs/dbraw/zinc/41/35/00/1064413500.db2.gz FGSOHWZPWGVHMB-QHAWAJNXSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359773976 1064413542 /nfs/dbraw/zinc/41/35/42/1064413542.db2.gz FGSOHWZPWGVHMB-ACRUOGEOSA-N 0 0 475.678 4.895 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC001434999288 1064413625 /nfs/dbraw/zinc/41/36/25/1064413625.db2.gz WSBUNIOKNOKWBV-INIZCTEOSA-N 0 0 454.368 4.629 20 0 JJADRN O=C(CNC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC001435000158 1064414684 /nfs/dbraw/zinc/41/46/84/1064414684.db2.gz VEIIKTIVTCRQRJ-UHFFFAOYSA-N 0 0 454.954 4.945 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001359774181 1064414734 /nfs/dbraw/zinc/41/47/34/1064414734.db2.gz KSPFRVXNJFHIHW-QFIPXVFZSA-N 0 0 461.050 4.979 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Oc2ccccc2Oc2ccccn2)=NN1c1ccccc1 ZINC001435001250 1064415294 /nfs/dbraw/zinc/41/52/94/1064415294.db2.gz ZFGBNWBZQSXHMR-HXUWFJFHSA-N 0 0 459.502 4.756 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1cc(C(C)(C)C)no1 ZINC001359774781 1064416555 /nfs/dbraw/zinc/41/65/55/1064416555.db2.gz BHFLZDBXAKXVDG-HYJWCJBQSA-N 0 0 457.644 4.745 20 0 JJADRN NC(=O)C1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC001435002084 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ZINC001359789317 1064445542 /nfs/dbraw/zinc/44/55/42/1064445542.db2.gz NENJCEHUZMHWMI-KRWDZBQOSA-N 0 0 454.537 4.608 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001359789787 1064446480 /nfs/dbraw/zinc/44/64/80/1064446480.db2.gz KDMZDVDXDCZJFY-VQTJNVASSA-N 0 0 480.613 4.735 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359789929 1064446538 /nfs/dbraw/zinc/44/65/38/1064446538.db2.gz RUGVXWNPQZVEMI-LPHOPBHVSA-N 0 0 497.562 4.773 20 0 JJADRN Cn1nc(C(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)cc1C1CC1 ZINC001435029600 1064447411 /nfs/dbraw/zinc/44/74/11/1064447411.db2.gz GDUFXJWMBZWTSU-UHFFFAOYSA-N 0 0 455.308 4.636 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359791668 1064448181 /nfs/dbraw/zinc/44/81/81/1064448181.db2.gz FEVLGPNJKYLRTI-VAMGGRTRSA-N 0 0 465.708 4.987 20 0 JJADRN COc1cccc(CC(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)c1 ZINC001435031648 1064449325 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LQPQHWIWVAHHEV-SFHVURJKSA-N 0 0 458.990 4.720 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CCCN1CCCCC1=O ZINC001359793383 1064451195 /nfs/dbraw/zinc/45/11/95/1064451195.db2.gz USECITKYHDHUMQ-SFHVURJKSA-N 0 0 488.474 4.765 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1cc(Br)ncc1Br)O[C@H](C)C2 ZINC001359794068 1064452369 /nfs/dbraw/zinc/45/23/69/1064452369.db2.gz OFXDDTMETMGUFP-SECBINFHSA-N 0 0 456.134 4.581 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359794653 1064452608 /nfs/dbraw/zinc/45/26/08/1064452608.db2.gz ZAHSPIXSHLALJS-IRLDBZIGSA-N 0 0 471.646 4.700 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(Oc3ccc(C)cn3)cc2)cc1OC ZINC001435036765 1064452600 /nfs/dbraw/zinc/45/26/00/1064452600.db2.gz XAXSSHZGCAZQMV-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1[C@H]1C[C@@H]1C ZINC001545888322 1064452720 /nfs/dbraw/zinc/45/27/20/1064452720.db2.gz HONDQERDYUOYBT-JTSKRJEESA-N 0 0 453.631 4.765 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359794655 1064453701 /nfs/dbraw/zinc/45/37/01/1064453701.db2.gz ZAHSPIXSHLALJS-UNMCSNQZSA-N 0 0 471.646 4.700 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001359795216 1064453783 /nfs/dbraw/zinc/45/37/83/1064453783.db2.gz FAGBQMRCYCLLBQ-UHFFFAOYSA-N 0 0 496.549 4.712 20 0 JJADRN COc1ccccc1N1C[C@H](C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1=O ZINC001435037951 1064453847 /nfs/dbraw/zinc/45/38/47/1064453847.db2.gz PXUYEYTYKXYQDK-QGZVFWFLSA-N 0 0 452.457 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359796019 1064455405 /nfs/dbraw/zinc/45/54/05/1064455405.db2.gz SHPUTMTVAWJYQW-UHFFFAOYSA-N 0 0 476.902 4.696 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359795982 1064455453 /nfs/dbraw/zinc/45/54/53/1064455453.db2.gz RMNBITZKHAIHDC-YKSBVNFPSA-N 0 0 468.642 4.877 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(=O)OC ZINC001435039152 1064455516 /nfs/dbraw/zinc/45/55/16/1064455516.db2.gz CLEJOSMXTAGBHZ-SPLOXXLWSA-N 0 0 455.352 4.982 20 0 JJADRN Cc1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc1S(=O)(=O)N1CCCCC1 ZINC001435039527 1064456271 /nfs/dbraw/zinc/45/62/71/1064456271.db2.gz IHDMKHFTOOLHOB-UHFFFAOYSA-N 0 0 450.963 4.555 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001359796599 1064456362 /nfs/dbraw/zinc/45/63/62/1064456362.db2.gz FLXCGTHMMCLCGV-HSZRJFAPSA-N 0 0 451.659 4.680 20 0 JJADRN CCc1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)nn1C ZINC001435040065 1064456430 /nfs/dbraw/zinc/45/64/30/1064456430.db2.gz SGAXUAMXRTVRDR-UHFFFAOYSA-N 0 0 455.356 4.550 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359796677 1064456374 /nfs/dbraw/zinc/45/63/74/1064456374.db2.gz HQFMAJMGHJNAFE-RCZVLFRGSA-N 0 0 467.658 4.783 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359796823 1064457012 /nfs/dbraw/zinc/45/70/12/1064457012.db2.gz LPAWVPLUDKQXKW-SFTDATJTSA-N 0 0 469.649 4.894 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359796832 1064457152 /nfs/dbraw/zinc/45/71/52/1064457152.db2.gz LWMYJDXEBZQQMK-UHFFFAOYSA-N 0 0 487.733 4.935 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359796944 1064458023 /nfs/dbraw/zinc/45/80/23/1064458023.db2.gz PPQZYEQSEWESMC-UHFFFAOYSA-N 0 0 486.730 4.754 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCc1c(F)cccc1F ZINC001359796912 1064458051 /nfs/dbraw/zinc/45/80/51/1064458051.db2.gz OOWXCDWHJJNWEQ-UHFFFAOYSA-N 0 0 473.612 4.663 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CCc1ccccc1Cl ZINC001359796973 1064458065 /nfs/dbraw/zinc/45/80/65/1064458065.db2.gz QSSNHBBCBOLSPT-UHFFFAOYSA-N 0 0 472.077 4.848 20 0 JJADRN COc1ccc(CCNC(=O)Cc2csc(-c3sccc3Br)n2)cc1F ZINC001435042000 1064458157 /nfs/dbraw/zinc/45/81/57/1064458157.db2.gz ZQXHYLZTCZBQRT-UHFFFAOYSA-N 0 0 455.374 4.683 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(OCC(F)F)nc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001359797435 1064459749 /nfs/dbraw/zinc/45/97/49/1064459749.db2.gz DIUZPXZIORSYOI-CHWSQXEVSA-N 0 0 459.415 4.610 20 0 JJADRN COC(=O)CC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC001435043307 1064460099 /nfs/dbraw/zinc/46/00/99/1064460099.db2.gz IVFHEZPKBXNFAT-VWLOTQADSA-N 0 0 458.558 4.503 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001359798065 1064460828 /nfs/dbraw/zinc/46/08/28/1064460828.db2.gz CLIQVTABCVOHRV-HOCLYGCPSA-N 0 0 456.475 4.859 20 0 JJADRN CC(C)(C(=O)NCc1cccc(CN2CCCC2=O)c1)c1csc(-c2ccccc2F)n1 ZINC001435044661 1064461037 /nfs/dbraw/zinc/46/10/37/1064461037.db2.gz MLAWZIYQAMKGEO-UHFFFAOYSA-N 0 0 451.567 4.666 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359798456 1064461279 /nfs/dbraw/zinc/46/12/79/1064461279.db2.gz JCBDFQSCMAUYSZ-PZJWPPBQSA-N 0 0 494.640 4.919 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2COCc2ccccc2)c1 ZINC001359798402 1064461512 /nfs/dbraw/zinc/46/15/12/1064461512.db2.gz XYYAPVLJYAENRB-UHFFFAOYSA-N 0 0 452.938 4.685 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435045463 1064462018 /nfs/dbraw/zinc/46/20/18/1064462018.db2.gz DPCCOBJGEMTWJA-LAUBAEHRSA-N 0 0 456.464 4.839 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCc1nc2ccccc2[nH]1 ZINC001359798641 1064462277 /nfs/dbraw/zinc/46/22/77/1064462277.db2.gz MHSVLPUHPGFDMY-VQTJNVASSA-N 0 0 495.672 4.725 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359798457 1064462342 /nfs/dbraw/zinc/46/23/42/1064462342.db2.gz JCBDFQSCMAUYSZ-TZIWHRDSSA-N 0 0 494.640 4.919 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1C[C@H]1CCCCS1 ZINC001545888369 1064462675 /nfs/dbraw/zinc/46/26/75/1064462675.db2.gz JBJGAMKWPYBZNK-MAUKXSAKSA-N 0 0 477.625 4.884 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001435046300 1064462713 /nfs/dbraw/zinc/46/27/13/1064462713.db2.gz SOSGTRJVQUGEAR-UHFFFAOYSA-N 0 0 455.386 4.992 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001359798680 1064463188 /nfs/dbraw/zinc/46/31/88/1064463188.db2.gz NDRYMAJENHASGG-UXHICEINSA-N 0 0 470.662 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359798784 1064463313 /nfs/dbraw/zinc/46/33/13/1064463313.db2.gz PNLDAXIVHBIFGT-MLNNCEHLSA-N 0 0 477.694 4.811 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1cccc(Cl)c1 ZINC001435047343 1064463842 /nfs/dbraw/zinc/46/38/42/1064463842.db2.gz PCFAMBXUOPJGCX-XMMPIXPASA-N 0 0 458.949 4.814 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048011 1064464332 /nfs/dbraw/zinc/46/43/32/1064464332.db2.gz VIOGIHHRGAZAII-QZTJIDSGSA-N 0 0 454.924 4.604 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCOc1ccccc1 ZINC001359799091 1064464988 /nfs/dbraw/zinc/46/49/88/1064464988.db2.gz XKEWFESXCHADMR-FQEVSTJZSA-N 0 0 471.646 4.685 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001359799513 1064465903 /nfs/dbraw/zinc/46/59/03/1064465903.db2.gz KBWNOMYDCCHGIK-ADYAMRHXSA-N 0 0 456.867 4.765 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1OC(C)C ZINC001359799281 1064465978 /nfs/dbraw/zinc/46/59/78/1064465978.db2.gz ZEEPOCKIZZNERL-HSZRJFAPSA-N 0 0 468.564 4.842 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049137 1064466299 /nfs/dbraw/zinc/46/62/99/1064466299.db2.gz JYRKFUBNOOWERP-HRFSGMKKSA-N 0 0 459.590 4.988 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC001435049428 1064467316 /nfs/dbraw/zinc/46/73/16/1064467316.db2.gz MJVAOMYZERLBIN-UHFFFAOYSA-N 0 0 451.544 4.870 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001435050730 1064469130 /nfs/dbraw/zinc/46/91/30/1064469130.db2.gz FWQPUGZDWQRKFT-TZMCWYRMSA-N 0 0 458.183 4.918 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001435050720 1064469358 /nfs/dbraw/zinc/46/93/58/1064469358.db2.gz FWQPUGZDWQRKFT-GXTWGEPZSA-N 0 0 458.183 4.918 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)CC1 ZINC001359801535 1064469691 /nfs/dbraw/zinc/46/96/91/1064469691.db2.gz XHNSIVKJLUWRKM-UHFFFAOYSA-N 0 0 458.599 4.827 20 0 JJADRN O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1ccc(I)cn1 ZINC001435051550 1064469890 /nfs/dbraw/zinc/46/98/90/1064469890.db2.gz KOQABZYTKIXGSX-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)NCC3(c4ccccc4Cl)CCOCC3)n2)ccc1F ZINC001435052664 1064471090 /nfs/dbraw/zinc/47/10/90/1064471090.db2.gz JZRZAQLZLKAVHA-UHFFFAOYSA-N 0 0 457.933 4.635 20 0 JJADRN Cc1nc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)nn1-c1ccccc1C(C)C ZINC001435052328 1064471188 /nfs/dbraw/zinc/47/11/88/1064471188.db2.gz HGOJBTNRTSIZMW-UHFFFAOYSA-N 0 0 452.986 4.831 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccccc3)[C@H]2C)n1CCn1cc(Br)cn1 ZINC001359802610 1064471445 /nfs/dbraw/zinc/47/14/45/1064471445.db2.gz RVDZJUDVGYBLMK-YLJYHZDGSA-N 0 0 457.420 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359802952 1064471660 /nfs/dbraw/zinc/47/16/60/1064471660.db2.gz YPHTYKFPBBMANR-UHFFFAOYSA-N 0 0 485.673 4.610 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC001435053663 1064471712 /nfs/dbraw/zinc/47/17/12/1064471712.db2.gz UVSRLGDDVWLPQF-OAHLLOKOSA-N 0 0 452.776 4.734 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC001359803875 1064472824 /nfs/dbraw/zinc/47/28/24/1064472824.db2.gz RLFGGBKIDNILTC-UHFFFAOYSA-N 0 0 454.573 4.687 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@H](C)Cc2cnc3ccccc3n2)c2ccccc2)cc1OC ZINC001359804913 1064473291 /nfs/dbraw/zinc/47/32/91/1064473291.db2.gz AFCWTYFOJCHQQM-KBMIEXCESA-N 0 0 455.558 4.926 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCc1c(F)cccc1F ZINC001359804938 1064473542 /nfs/dbraw/zinc/47/35/42/1064473542.db2.gz IAISLXPGVWEUOL-UHFFFAOYSA-N 0 0 473.612 4.663 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c(Cl)c1 ZINC001435055432 1064473717 /nfs/dbraw/zinc/47/37/17/1064473717.db2.gz CKFVVGMHJCLPNH-UHFFFAOYSA-N 0 0 457.379 4.965 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)cc1 ZINC001435055734 1064473763 /nfs/dbraw/zinc/47/37/63/1064473763.db2.gz KYHBQQAWTJLINC-UHFFFAOYSA-N 0 0 452.536 4.764 20 0 JJADRN CCC[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2sccc2C1 ZINC001359805067 1064474562 /nfs/dbraw/zinc/47/45/62/1064474562.db2.gz CGCMAHSWHFOIJN-SFHVURJKSA-N 0 0 455.407 4.694 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001435056038 1064474624 /nfs/dbraw/zinc/47/46/24/1064474624.db2.gz DCUVBBLCIJXLSH-MRVPVSSYSA-N 0 0 458.200 4.581 20 0 JJADRN CN(C)C(=O)Sc1cccc(NC(=O)c2ncc(Br)cc2Br)c1 ZINC001435056284 1064474688 /nfs/dbraw/zinc/47/46/88/1064474688.db2.gz HYYVAKNEBLHJRN-UHFFFAOYSA-N 0 0 459.163 4.633 20 0 JJADRN CCC[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)N1CCc2sccc2C1 ZINC001359805794 1064475295 /nfs/dbraw/zinc/47/52/95/1064475295.db2.gz GKLWROYAWDGWQG-IBGZPJMESA-N 0 0 452.542 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359805892 1064475307 /nfs/dbraw/zinc/47/53/07/1064475307.db2.gz QZCZORVLAJZJQJ-HOJAQTOUSA-N 0 0 452.569 4.648 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001435057057 1064475487 /nfs/dbraw/zinc/47/54/87/1064475487.db2.gz LNZRNPHCOVLOSH-CQSZACIVSA-N 0 0 457.489 4.922 20 0 JJADRN O=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435057835 1064476258 /nfs/dbraw/zinc/47/62/58/1064476258.db2.gz XGDWJSNGDDQYAC-UHFFFAOYSA-N 0 0 457.983 4.948 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435057886 1064476387 /nfs/dbraw/zinc/47/63/87/1064476387.db2.gz YXFZYTPSTPGPIY-IPELMVKDSA-N 0 0 459.543 4.679 20 0 JJADRN CCC[C@H](NC(=O)c1cc2ccccc2cc1OC(F)F)C(=O)N1CCc2sccc2C1 ZINC001359807302 1064477347 /nfs/dbraw/zinc/47/73/47/1064477347.db2.gz ZGHWYJAEJWPQML-IBGZPJMESA-N 0 0 458.530 4.986 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001359807059 1064477362 /nfs/dbraw/zinc/47/73/62/1064477362.db2.gz RUNUQWGMVJBTMD-WIYYLYMNSA-N 0 0 456.583 4.607 20 0 JJADRN CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(OC)cc1 ZINC001359807978 1064478941 /nfs/dbraw/zinc/47/89/41/1064478941.db2.gz QJAQLXWICCCIND-DYESRHJHSA-N 0 0 456.587 4.692 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)ccc2Br)c(C)c1 ZINC001435060438 1064478977 /nfs/dbraw/zinc/47/89/77/1064478977.db2.gz MCTHTKOLPMYIOA-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359809000 1064481563 /nfs/dbraw/zinc/48/15/63/1064481563.db2.gz DFKTXOLDOIUPDM-OAQYLSRUSA-N 0 0 451.615 4.854 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)cc1OC1CCCC1 ZINC001435063178 1064481686 /nfs/dbraw/zinc/48/16/86/1064481686.db2.gz YZVWOSPLUQAHEW-NRFANRHFSA-N 0 0 454.592 4.787 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001545888520 1064482692 /nfs/dbraw/zinc/48/26/92/1064482692.db2.gz PAZMNBYQKZTJFP-XMMPIXPASA-N 0 0 478.616 4.733 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001435064365 1064483420 /nfs/dbraw/zinc/48/34/20/1064483420.db2.gz COXNLLODZICBBX-HFJWLAOPSA-N 0 0 454.615 4.621 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359809525 1064483571 /nfs/dbraw/zinc/48/35/71/1064483571.db2.gz UKOHLVXZRJRGHC-IBGZPJMESA-N 0 0 489.542 4.875 20 0 JJADRN COc1cccc(N2CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCCC3)CC2)c1 ZINC001435065581 1064485217 /nfs/dbraw/zinc/48/52/17/1064485217.db2.gz PWIHJEMJWUYEHM-QHCPKHFHSA-N 0 0 459.631 4.644 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359810991 1064485943 /nfs/dbraw/zinc/48/59/43/1064485943.db2.gz AKKYLMZMRGHOQR-AVRDEDQJSA-N 0 0 482.595 4.985 20 0 JJADRN CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001435066048 1064486049 /nfs/dbraw/zinc/48/60/49/1064486049.db2.gz FNDNYSWUTIRZOJ-AREMUKBSSA-N 0 0 455.558 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001359811335 1064486699 /nfs/dbraw/zinc/48/66/99/1064486699.db2.gz LBPJKWPZXUFVEF-LEWJYISDSA-N 0 0 483.657 4.879 20 0 JJADRN O=C(CCc1cccc(OC2CCCC2)c1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001359812061 1064488483 /nfs/dbraw/zinc/48/84/83/1064488483.db2.gz BBMGOAUSKKCGGS-VWLOTQADSA-N 0 0 457.014 4.784 20 0 JJADRN C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435067726 1064488482 /nfs/dbraw/zinc/48/84/82/1064488482.db2.gz AWKSTNAXPQBYJR-SFHVURJKSA-N 0 0 456.612 4.506 20 0 JJADRN CC(C)OCCOCc1cccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)c1 ZINC001359812695 1064489426 /nfs/dbraw/zinc/48/94/26/1064489426.db2.gz KGASOXNKVPYZKX-UHFFFAOYSA-N 0 0 458.356 4.829 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)cc1C ZINC001435068926 1064490390 /nfs/dbraw/zinc/49/03/90/1064490390.db2.gz ZRLVGDGXSDCSRL-UXHICEINSA-N 0 0 459.409 4.636 20 0 JJADRN CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435069220 1064491184 /nfs/dbraw/zinc/49/11/84/1064491184.db2.gz WOXOBDIZCUJOIO-AREMUKBSSA-N 0 0 458.949 4.597 20 0 JJADRN CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069274 1064491272 /nfs/dbraw/zinc/49/12/72/1064491272.db2.gz XEAAZPQZRPNOOO-NRFANRHFSA-N 0 0 452.942 4.732 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001435070394 1064491937 /nfs/dbraw/zinc/49/19/37/1064491937.db2.gz YWFFEANMSYYVOX-INIZCTEOSA-N 0 0 451.502 4.632 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359814831 1064493830 /nfs/dbraw/zinc/49/38/30/1064493830.db2.gz BPGJBZWCCQFKRX-ZJSXRUAMSA-N 0 0 472.649 4.785 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cn1 ZINC001435071102 1064493750 /nfs/dbraw/zinc/49/37/50/1064493750.db2.gz FHRVYDWRVMKXON-UHFFFAOYSA-N 0 0 451.483 4.520 20 0 JJADRN Cc1ccc(I)cc1C(=O)N(C)CCc1ccc(Br)cc1 ZINC001435071781 1064493888 /nfs/dbraw/zinc/49/38/88/1064493888.db2.gz AZGRGLINRADDME-UHFFFAOYSA-N 0 0 458.137 4.677 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N(Cc1ccc(OC)cc1)c1ccc2[nH]c(C)nc2c1 ZINC001435071301 1064493903 /nfs/dbraw/zinc/49/39/03/1064493903.db2.gz GYNSWZHXFQRWHY-UHFFFAOYSA-N 0 0 457.530 4.833 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCCC1CCOCC1 ZINC001359815098 1064494667 /nfs/dbraw/zinc/49/46/67/1064494667.db2.gz VNBHRNHLAPEMMN-UHFFFAOYSA-N 0 0 486.636 4.613 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001359815237 1064495525 /nfs/dbraw/zinc/49/55/25/1064495525.db2.gz YIYPRXLFFNUYMA-RTBURBONSA-N 0 0 456.610 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359815328 1064495577 /nfs/dbraw/zinc/49/55/77/1064495577.db2.gz IOUSJPALUQGWLB-UHFFFAOYSA-N 0 0 469.552 4.753 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N(C)CCc2ccc(Br)cc2)c(Br)c1 ZINC001435073432 1064495679 /nfs/dbraw/zinc/49/56/79/1064495679.db2.gz IMCRWORKNKCYOE-CQSZACIVSA-N 0 0 455.190 4.988 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359815583 1064496099 /nfs/dbraw/zinc/49/60/99/1064496099.db2.gz PJADBWXDLHLOPO-RUZDIDTESA-N 0 0 476.612 4.574 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1 ZINC001435073707 1064496452 /nfs/dbraw/zinc/49/64/52/1064496452.db2.gz FOIAFUDUENZPSU-ORAYPTAESA-N 0 0 458.381 4.627 20 0 JJADRN COCCN1C[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CC1=O ZINC001435074203 1064496564 /nfs/dbraw/zinc/49/65/64/1064496564.db2.gz NLLCENPGNPDRCE-LBPRGKRZSA-N 0 0 457.741 4.873 20 0 JJADRN O=C(Oc1cccc(OCC(F)(F)F)c1)c1ncc(Br)cc1Br ZINC001435073818 1064496583 /nfs/dbraw/zinc/49/65/83/1064496583.db2.gz HEYCJMYNHFECIR-UHFFFAOYSA-N 0 0 455.024 4.767 20 0 JJADRN Cc1cccc2c1O[C@H](C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001435076058 1064498352 /nfs/dbraw/zinc/49/83/52/1064498352.db2.gz RGSSGELMORSQAP-PKTZIBPZSA-N 0 0 450.579 4.727 20 0 JJADRN C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001435076428 1064498912 /nfs/dbraw/zinc/49/89/12/1064498912.db2.gz PELZFVZFCJDJNQ-YJBOKZPZSA-N 0 0 459.359 4.666 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC001435076606 1064498959 /nfs/dbraw/zinc/49/89/59/1064498959.db2.gz BGDGFQUDLHMNFE-NDEPHWFRSA-N 0 0 452.558 4.506 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359817425 1064499934 /nfs/dbraw/zinc/49/99/34/1064499934.db2.gz CLPVERDFOGWEJW-UPVQGACJSA-N 0 0 497.684 4.919 20 0 JJADRN C[C@H]1Cc2ccccc2N(C(=O)c2cccc(Br)c2I)C1 ZINC001435076507 1064500029 /nfs/dbraw/zinc/50/00/29/1064500029.db2.gz QHQYMLYVJHJLQV-NSHDSACASA-N 0 0 456.121 4.893 20 0 JJADRN O=C(NCCCc1cccc(F)c1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435078140 1064500531 /nfs/dbraw/zinc/50/05/31/1064500531.db2.gz XBSIFTSDQRUYRQ-UHFFFAOYSA-N 0 0 452.339 4.816 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359817961 1064501377 /nfs/dbraw/zinc/50/13/77/1064501377.db2.gz PNIBHKDXUCWMAT-OAQYLSRUSA-N 0 0 489.542 4.657 20 0 JJADRN O=C(Nc1cccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001435079355 1064501495 /nfs/dbraw/zinc/50/14/95/1064501495.db2.gz SBEMHHGOWNSPGB-QHCPKHFHSA-N 0 0 459.468 4.593 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359818167 1064501959 /nfs/dbraw/zinc/50/19/59/1064501959.db2.gz UYJBRDZCSXZBMN-UGKGYDQZSA-N 0 0 459.610 4.654 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(C2)OCc2ccccc23)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359819120 1064502766 /nfs/dbraw/zinc/50/27/66/1064502766.db2.gz KLUWSZLJAXLGET-CUNXSJBXSA-N 0 0 483.657 4.662 20 0 JJADRN CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435081663 1064503037 /nfs/dbraw/zinc/50/30/37/1064503037.db2.gz QUOCAKYPPUVBCC-DEOSSOPVSA-N 0 0 456.489 4.566 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(CC2)C(F)(F)C32CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359819885 1064503323 /nfs/dbraw/zinc/50/33/23/1064503323.db2.gz YSVHPJMCDXXQOJ-SFHVURJKSA-N 0 0 481.632 4.995 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)cc1 ZINC001359819220 1064503346 /nfs/dbraw/zinc/50/33/46/1064503346.db2.gz VJISYRTYGCVACK-HHHXNRCGSA-N 0 0 456.586 4.947 20 0 JJADRN CCn1cc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)c(C2CC2)n1 ZINC001435081833 1064503554 /nfs/dbraw/zinc/50/35/54/1064503554.db2.gz VDESVIMMFAFUGX-UHFFFAOYSA-N 0 0 456.896 4.942 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001435082175 1064503714 /nfs/dbraw/zinc/50/37/14/1064503714.db2.gz BVTNZCFRPYKXEB-DEOSSOPVSA-N 0 0 454.567 4.764 20 0 JJADRN CCCN(C(=O)c1nn(-c2ccccc2C)c2c1CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435083031 1064504800 /nfs/dbraw/zinc/50/48/00/1064504800.db2.gz LXIGYSLPCPLGSH-IBGZPJMESA-N 0 0 452.599 4.531 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359822696 1064504920 /nfs/dbraw/zinc/50/49/20/1064504920.db2.gz FKFRERCIOJHAPO-HXUWFJFHSA-N 0 0 463.479 4.761 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCCn1cc(Br)cn1 ZINC001359822693 1064505018 /nfs/dbraw/zinc/50/50/18/1064505018.db2.gz FHUVZGUTOYXOEJ-HNNXBMFYSA-N 0 0 493.400 4.928 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)n1 ZINC001359822648 1064505120 /nfs/dbraw/zinc/50/51/20/1064505120.db2.gz LZJMYLICNNCYLA-UHFFFAOYSA-N 0 0 459.319 4.799 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2=O)cc1 ZINC001435084227 1064505525 /nfs/dbraw/zinc/50/55/25/1064505525.db2.gz RMNDBLPUOBWGIF-DENIHFKCSA-N 0 0 454.542 4.718 20 0 JJADRN 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SYLIVQMDJIPVKK-QHCPKHFHSA-N 0 0 455.551 4.870 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(OC)ccc2OCC)[C@@H]1c1ccccc1OC ZINC001435094706 1064510848 /nfs/dbraw/zinc/51/08/48/1064510848.db2.gz GSGZDRYLAFOCBG-CPJSRVTESA-N 0 0 454.567 4.821 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)CCO1 ZINC001435095831 1064511080 /nfs/dbraw/zinc/51/10/80/1064511080.db2.gz OHJUMAXHNAKVPX-IBGZPJMESA-N 0 0 456.892 4.821 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC001359829934 1064511488 /nfs/dbraw/zinc/51/14/88/1064511488.db2.gz XNJIBLQZTKXYND-INIZCTEOSA-N 0 0 459.782 4.874 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435096697 1064511710 /nfs/dbraw/zinc/51/17/10/1064511710.db2.gz UHFVFBZFZQDAQG-CTNGQTDRSA-N 0 0 456.608 4.731 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC001435097126 1064512204 /nfs/dbraw/zinc/51/22/04/1064512204.db2.gz WYTAXLXVMJEQSU-UHFFFAOYSA-N 0 0 457.368 4.510 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 ZINC001435097464 1064512225 /nfs/dbraw/zinc/51/22/25/1064512225.db2.gz GHFHSNHZJXTUQT-UPVQGACJSA-N 0 0 457.014 4.988 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1Cc1cccc(OC)c1OC ZINC001545888736 1064512260 /nfs/dbraw/zinc/51/22/60/1064512260.db2.gz WAHMIWGPWRMREP-FQEVSTJZSA-N 0 0 497.665 4.837 20 0 JJADRN CCCn1c(C)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)c2cc(OC)ccc21 ZINC001359829943 1064512211 /nfs/dbraw/zinc/51/22/11/1064512211.db2.gz XNJVXIQXLMCMGW-QFIPXVFZSA-N 0 0 451.592 4.831 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc32)c1)c1ccccc1 ZINC001435098090 1064512846 /nfs/dbraw/zinc/51/28/46/1064512846.db2.gz PDZQLLVWMBIGQS-FQEVSTJZSA-N 0 0 458.583 4.852 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001359830590 1064513209 /nfs/dbraw/zinc/51/32/09/1064513209.db2.gz MPCMIWQFJIQDMT-MOPGFXCFSA-N 0 0 481.632 4.995 20 0 JJADRN 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ZINC001435107574 1064517345 /nfs/dbraw/zinc/51/73/45/1064517345.db2.gz AVOBELWMHRTDDP-SFHVURJKSA-N 0 0 450.720 4.955 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ncccc1CSC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107547 1064517427 /nfs/dbraw/zinc/51/74/27/1064517427.db2.gz AKWVIWIJWDHGDP-WMZHIEFXSA-N 0 0 453.652 4.570 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108349 1064517827 /nfs/dbraw/zinc/51/78/27/1064517827.db2.gz KQDQRRFWDFPFES-WZOHSFFVSA-N 0 0 454.586 4.605 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1CCc2cc(F)ccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108308 1064518419 /nfs/dbraw/zinc/51/84/19/1064518419.db2.gz FORMACVKSAZBPQ-CNVLFFCLSA-N 0 0 450.598 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359833299 1064518334 /nfs/dbraw/zinc/51/83/34/1064518334.db2.gz VXEGOTJYRWVCTH-KRWDZBQOSA-N 0 0 483.554 4.671 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)Cc1cccc2ncccc12)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109479 1064519031 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CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccsc1Br ZINC001359835574 1064522586 /nfs/dbraw/zinc/52/25/86/1064522586.db2.gz XVMWFRYBUQFCHJ-INIZCTEOSA-N 0 0 498.491 4.842 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)nn1-c1ccc(Br)cc1 ZINC001435114737 1064522640 /nfs/dbraw/zinc/52/26/40/1064522640.db2.gz OGAWMKZTQFLNPR-UHFFFAOYSA-N 0 0 455.356 4.642 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359835867 1064523113 /nfs/dbraw/zinc/52/31/13/1064523113.db2.gz BHSKJNBAHNBRSF-HXUWFJFHSA-N 0 0 466.548 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001359837100 1064523708 /nfs/dbraw/zinc/52/37/08/1064523708.db2.gz YKKUKJMMNBHMRW-HKUYNNGSSA-N 0 0 471.593 4.533 20 0 JJADRN COc1cc(Br)ccc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001359837396 1064524151 /nfs/dbraw/zinc/52/41/51/1064524151.db2.gz DPKQCKOZCZTTQF-QKKBWIMNSA-N 0 0 455.393 4.661 20 0 JJADRN COc1cc(Br)ccc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001359837398 1064524163 /nfs/dbraw/zinc/52/41/63/1064524163.db2.gz DPKQCKOZCZTTQF-SZNDQCEHSA-N 0 0 455.393 4.661 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC001435116214 1064524263 /nfs/dbraw/zinc/52/42/63/1064524263.db2.gz MOPLIPFFQIYMMS-HXUWFJFHSA-N 0 0 453.951 4.990 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccc(F)cc3Br)s2)cc1 ZINC001435116470 1064524315 /nfs/dbraw/zinc/52/43/15/1064524315.db2.gz PXBWFBIBPUTJPJ-GFCCVEGCSA-N 0 0 450.333 4.745 20 0 JJADRN O=C(Nc1nnc(Cc2ccccc2F)s1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001435116220 1064524405 /nfs/dbraw/zinc/52/44/05/1064524405.db2.gz MTLVAQVPGSNTGG-UHFFFAOYSA-N 0 0 450.308 4.840 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC001359838182 1064524584 /nfs/dbraw/zinc/52/45/84/1064524584.db2.gz VQIKTZLRKSNOFF-LHSJRXKWSA-N 0 0 457.384 4.721 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cnn(CC(F)(F)F)c1 ZINC001435118075 1064525211 /nfs/dbraw/zinc/52/52/11/1064525211.db2.gz DPSGAQHVDTUEMW-SFHVURJKSA-N 0 0 450.848 4.599 20 0 JJADRN Cc1c(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)nnn1-c1cccc(Br)c1 ZINC001435118394 1064525257 /nfs/dbraw/zinc/52/52/57/1064525257.db2.gz IDDZFYRDMUTLGJ-IBGZPJMESA-N 0 0 457.397 4.577 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359838625 1064525846 /nfs/dbraw/zinc/52/58/46/1064525846.db2.gz FPABVFRPVZCFBE-OAQYLSRUSA-N 0 0 455.647 4.991 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(=O)c3cn4c(Br)cnc4s3)c2)cc1 ZINC001359840264 1064526292 /nfs/dbraw/zinc/52/62/92/1064526292.db2.gz YMMPVXOMEJYNLO-UHFFFAOYSA-N 0 0 456.321 4.938 20 0 JJADRN O=C(Cc1ccccc1I)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001435120290 1064526520 /nfs/dbraw/zinc/52/65/20/1064526520.db2.gz RYJPTKFWHZBKJF-QGZVFWFLSA-N 0 0 457.764 4.804 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 ZINC001435120760 1064526768 /nfs/dbraw/zinc/52/67/68/1064526768.db2.gz RZRWZKHHTDKRJF-LJQANCHMSA-N 0 0 450.922 4.789 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CCc1ccc(Cl)s1 ZINC001359840368 1064526771 /nfs/dbraw/zinc/52/67/71/1064526771.db2.gz CDQVANLTONNEBD-UHFFFAOYSA-N 0 0 490.048 4.926 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCCOC1CCCCC1 ZINC001359840365 1064527003 /nfs/dbraw/zinc/52/70/03/1064527003.db2.gz BYLGKWCCXJEWDK-UHFFFAOYSA-N 0 0 467.658 4.569 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 ZINC001435121825 1064527340 /nfs/dbraw/zinc/52/73/40/1064527340.db2.gz DLUNAUMPOMXNDG-UHFFFAOYSA-N 0 0 457.317 4.780 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001359840839 1064527341 /nfs/dbraw/zinc/52/73/41/1064527341.db2.gz SFOSCVHMZVUFLP-SFTDATJTSA-N 0 0 488.076 4.688 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)c3nc(Br)ccc3Br)CC2)cc1 ZINC001435121188 1064527518 /nfs/dbraw/zinc/52/75/18/1064527518.db2.gz UDLVVSHBVHCPNK-UHFFFAOYSA-N 0 0 454.162 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435121272 1064527616 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451.311 4.587 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001359842673 1064529597 /nfs/dbraw/zinc/52/95/97/1064529597.db2.gz ILNKZGFYQNRTIG-INIZCTEOSA-N 0 0 451.401 4.821 20 0 JJADRN CC(C)Cc1nnc(N2CCCO[C@@H](C)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359843680 1064530051 /nfs/dbraw/zinc/53/00/51/1064530051.db2.gz VWZDOBBEYCMJQQ-IBGZPJMESA-N 0 0 457.619 4.682 20 0 JJADRN Cc1ccc(CO[C@H](C)C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1 ZINC001435125490 1064531265 /nfs/dbraw/zinc/53/12/65/1064531265.db2.gz IYOMZWAWLWHRMP-QGZVFWFLSA-N 0 0 459.514 4.791 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359846166 1064531841 /nfs/dbraw/zinc/53/18/41/1064531841.db2.gz OGPHNTPOQKUHAY-LADGPHEKSA-N 0 0 473.706 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCO[C@H](C)c1ccccc1 ZINC001359846402 1064531933 /nfs/dbraw/zinc/53/19/33/1064531933.db2.gz WZGRWMBBOXHLJC-OAQYLSRUSA-N 0 0 481.666 4.668 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001359846488 1064532289 /nfs/dbraw/zinc/53/22/89/1064532289.db2.gz ZTTDEIJWANONRG-IBGZPJMESA-N 0 0 469.630 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001359846744 1064532476 /nfs/dbraw/zinc/53/24/76/1064532476.db2.gz IQXUPXXIZLJQLI-XUTJKUGGSA-N 0 0 473.065 4.879 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCCCc1ccc(Br)cc1F ZINC001435127744 1064533507 /nfs/dbraw/zinc/53/35/07/1064533507.db2.gz UKIHLKCUILAWKU-UHFFFAOYSA-N 0 0 458.253 4.706 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(c2ccccc2)CC1 ZINC001359847299 1064533711 /nfs/dbraw/zinc/53/37/11/1064533711.db2.gz RRMLPCJQDWWYAE-FQEVSTJZSA-N 0 0 453.631 4.654 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001359848656 1064534132 /nfs/dbraw/zinc/53/41/32/1064534132.db2.gz AOCPTOYEHJBCJD-QZTJIDSGSA-N 0 0 488.702 4.552 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001435128968 1064534559 /nfs/dbraw/zinc/53/45/59/1064534559.db2.gz WXGAXQLHECDHEM-SFHVURJKSA-N 0 0 455.393 4.661 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1Cc1ccccc1Cl ZINC001359849325 1064535220 /nfs/dbraw/zinc/53/52/20/1064535220.db2.gz IJMHJOYZQUEXFO-SFHVURJKSA-N 0 0 472.037 4.568 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCc1ccc(Cl)cc1 ZINC001435130674 1064535530 /nfs/dbraw/zinc/53/55/30/1064535530.db2.gz WVCBUKYEGLEIKK-UHFFFAOYSA-N 0 0 451.792 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc(Br)cc1 ZINC001435130326 1064535603 /nfs/dbraw/zinc/53/56/03/1064535603.db2.gz HXHVEMVZCJBCIQ-OALUTQOASA-N 0 0 453.421 4.972 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1)c1ccccc1 ZINC001435130799 1064535650 /nfs/dbraw/zinc/53/56/50/1064535650.db2.gz YCEYHYPGTUILET-FQEVSTJZSA-N 0 0 451.473 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001359850100 1064536111 /nfs/dbraw/zinc/53/61/11/1064536111.db2.gz ODGKTBYIJFOCSB-MOPGFXCFSA-N 0 0 458.701 4.757 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCCc1ccc(Br)cc1 ZINC001435131542 1064536242 /nfs/dbraw/zinc/53/62/42/1064536242.db2.gz RLRJBBHFDWEZDA-UHFFFAOYSA-N 0 0 454.412 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001435131516 1064536324 /nfs/dbraw/zinc/53/63/24/1064536324.db2.gz QVANXVZBFWWUFG-FQEVSTJZSA-N 0 0 453.558 4.518 20 0 JJADRN Cc1csc(SCc2c3ccccc3oc2C(=O)NCC2(C(=O)N(C)C)CCCC2)n1 ZINC001435132353 1064536781 /nfs/dbraw/zinc/53/67/81/1064536781.db2.gz AXAGYIVGNFIIHY-UHFFFAOYSA-N 0 0 457.621 4.868 20 0 JJADRN O=C(NCCc1cccc(F)c1F)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001435131731 1064536794 /nfs/dbraw/zinc/53/67/94/1064536794.db2.gz SFBNFWMOUHFPCN-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)NCCC(=O)Nc2ccccc2)s1 ZINC001435132416 1064536855 /nfs/dbraw/zinc/53/68/55/1064536855.db2.gz VMRIIZKYRSLBGT-UHFFFAOYSA-N 0 0 452.561 4.644 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCc1cccc(Br)c1 ZINC001435133095 1064537097 /nfs/dbraw/zinc/53/70/97/1064537097.db2.gz AISXEMWMZBDKLJ-GFCCVEGCSA-N 0 0 459.153 4.867 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001359850612 1064537299 /nfs/dbraw/zinc/53/72/99/1064537299.db2.gz URLLRLDFWPPZDY-LJQANCHMSA-N 0 0 466.630 4.646 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001359850859 1064537627 /nfs/dbraw/zinc/53/76/27/1064537627.db2.gz YHVIFUXALWFHMY-QGZVFWFLSA-N 0 0 490.027 4.707 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1=O ZINC001435133660 1064537916 /nfs/dbraw/zinc/53/79/16/1064537916.db2.gz JJYZNXBJEKSQCK-AZUAARDMSA-N 0 0 456.608 4.515 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001435135494 1064538744 /nfs/dbraw/zinc/53/87/44/1064538744.db2.gz DIMSOWSAIUCXRS-LBKOFNPBSA-N 0 0 453.482 4.700 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001435135281 1064538822 /nfs/dbraw/zinc/53/88/22/1064538822.db2.gz RGHAMJYDMGAJLH-UHFFFAOYSA-N 0 0 459.521 4.846 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC001435136435 1064539335 /nfs/dbraw/zinc/53/93/35/1064539335.db2.gz VYRMEAUQGGZOBA-FQEVSTJZSA-N 0 0 450.466 4.506 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CSc3ccc(C(C)C)cc3)CC2)cc1 ZINC001435137642 1064539655 /nfs/dbraw/zinc/53/96/55/1064539655.db2.gz AXOZQEDLRVCVKN-FQEVSTJZSA-N 0 0 454.636 4.603 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1 ZINC001435137825 1064539906 /nfs/dbraw/zinc/53/99/06/1064539906.db2.gz UOUGIKGVJBOACQ-SFTDATJTSA-N 0 0 450.604 4.704 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCCCN(C)c1ccccc1 ZINC001359852810 1064540038 /nfs/dbraw/zinc/54/00/38/1064540038.db2.gz VVAIWLYXBYNSSD-UHFFFAOYSA-N 0 0 482.076 4.768 20 0 JJADRN O=C(CCC(=O)N1CCOc2ccccc21)Oc1c(Cl)cc(Br)cc1Cl ZINC001435138618 1064540352 /nfs/dbraw/zinc/54/03/52/1064540352.db2.gz JFICCINKTZYJNT-UHFFFAOYSA-N 0 0 459.123 4.867 20 0 JJADRN NC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1N1CCCCC1 ZINC001435138427 1064540384 /nfs/dbraw/zinc/54/03/84/1064540384.db2.gz HTHQZRMBZPQXAH-UHFFFAOYSA-N 0 0 452.407 4.955 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N(Cc1cscn1)c1ccccc1 ZINC001435138500 1064540434 /nfs/dbraw/zinc/54/04/34/1064540434.db2.gz XUCTXWKVLUUXJF-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359853155 1064540519 /nfs/dbraw/zinc/54/05/19/1064540519.db2.gz DABHNAQXIODIGU-UHFFFAOYSA-N 0 0 491.640 4.594 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C(C)(C)CCCc3ccccc3)CC2)cc1 ZINC001435140811 1064541517 /nfs/dbraw/zinc/54/15/17/1064541517.db2.gz ASBRSROKGSAIFB-JOCHJYFZSA-N 0 0 450.623 4.736 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)cc1 ZINC001435141877 1064542077 /nfs/dbraw/zinc/54/20/77/1064542077.db2.gz FJTPCEHUAGVUOJ-XMMPIXPASA-N 0 0 457.565 4.746 20 0 JJADRN COC1CCC(N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC1 ZINC001435141637 1064542151 /nfs/dbraw/zinc/54/21/51/1064542151.db2.gz AAYOOMFDMIUJFI-UHFFFAOYSA-N 0 0 454.571 4.582 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc1OC ZINC001359855014 1064542817 /nfs/dbraw/zinc/54/28/17/1064542817.db2.gz YUFJCKODRXELSJ-UHFFFAOYSA-N 0 0 459.315 4.961 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001435142589 1064543047 /nfs/dbraw/zinc/54/30/47/1064543047.db2.gz KANXWXPNODZEHN-UWXQAFAOSA-N 0 0 452.595 4.890 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCC2)CC1 ZINC001435143275 1064543733 /nfs/dbraw/zinc/54/37/33/1064543733.db2.gz MABSLEMQSXULOT-JOCHJYFZSA-N 0 0 458.549 4.699 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001435143821 1064544085 /nfs/dbraw/zinc/54/40/85/1064544085.db2.gz RDIOHNDOCSCLND-UHFFFAOYSA-N 0 0 450.583 4.848 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)cc1 ZINC001359857857 1064544583 /nfs/dbraw/zinc/54/45/83/1064544583.db2.gz FRZHRIWEWCUWFF-IXCJQBJRSA-N 0 0 459.590 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)C2(CCCCC2)C1 ZINC001435143910 1064544744 /nfs/dbraw/zinc/54/47/44/1064544744.db2.gz SALJIIYNMZLCIT-UHFFFAOYSA-N 0 0 454.546 4.679 20 0 JJADRN Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)oc1Br ZINC001435145451 1064545156 /nfs/dbraw/zinc/54/51/56/1064545156.db2.gz WXNMFQJCVNMFIX-CYBMUJFWSA-N 0 0 456.178 4.632 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCc1cc2ccccc2s1 ZINC001359857892 1064545205 /nfs/dbraw/zinc/54/52/05/1064545205.db2.gz GYCNFOATBYLQHD-UHFFFAOYSA-N 0 0 483.579 4.956 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3ccc4c(c3)C(=O)NCCO4)cc2C)c1 ZINC001435144777 1064545393 /nfs/dbraw/zinc/54/53/93/1064545393.db2.gz LODMWXMCDCKKFT-UHFFFAOYSA-N 0 0 458.558 4.585 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)Nc3cc(C)ccc3SCC(F)(F)F)c(C)n2n1 ZINC001435145100 1064545413 /nfs/dbraw/zinc/54/54/13/1064545413.db2.gz NFGMNJYZDMFUIP-UHFFFAOYSA-N 0 0 455.531 4.607 20 0 JJADRN CCN(C(=O)CCN1C(=O)COc2ccccc21)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858039 1064545493 /nfs/dbraw/zinc/54/54/93/1064545493.db2.gz HIVDXWMBDNLKKH-MUUNZHRXSA-N 0 0 457.574 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001359858256 1064546070 /nfs/dbraw/zinc/54/60/70/1064546070.db2.gz LYVZLSHIHLMZGF-UNWVZKJWSA-N 0 0 479.591 4.717 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435145771 1064546234 /nfs/dbraw/zinc/54/62/34/1064546234.db2.gz BFZSMTSUQTWGHX-WWMYMODYSA-N 0 0 454.617 4.549 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC001435145955 1064546361 /nfs/dbraw/zinc/54/63/61/1064546361.db2.gz ZZYZDWUBSPKKEL-HXUWFJFHSA-N 0 0 455.318 4.704 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001435146966 1064546956 /nfs/dbraw/zinc/54/69/56/1064546956.db2.gz CECTXKYAGJLFIL-KBXCAEBGSA-N 0 0 451.514 4.540 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001435146980 1064546998 /nfs/dbraw/zinc/54/69/98/1064546998.db2.gz CECTXKYAGJLFIL-KSSFIOAISA-N 0 0 451.514 4.540 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)c2)n1 ZINC001435146459 1064547078 /nfs/dbraw/zinc/54/70/78/1064547078.db2.gz ASVLEJHQHXDMOK-OAQYLSRUSA-N 0 0 457.361 4.771 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c2ccccc2)cc1 ZINC001435147207 1064547489 /nfs/dbraw/zinc/54/74/89/1064547489.db2.gz DFSRFYHDRPCODG-SXOMAYOGSA-N 0 0 455.602 4.984 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001435148179 1064548065 /nfs/dbraw/zinc/54/80/65/1064548065.db2.gz KEHDAKZAUNWFNI-LAUBAEHRSA-N 0 0 455.345 4.917 20 0 JJADRN CCCCc1nc(-c2ccc(OC(=O)[C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)cc2)no1 ZINC001435148076 1064548202 /nfs/dbraw/zinc/54/82/02/1064548202.db2.gz JHRVWACRXYRMNX-QGZVFWFLSA-N 0 0 451.548 4.760 20 0 JJADRN CN(C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 ZINC001435148180 1064548571 /nfs/dbraw/zinc/54/85/71/1064548571.db2.gz HJHCKAVWKHDHMA-LJQANCHMSA-N 0 0 455.484 4.980 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC001435149258 1064549115 /nfs/dbraw/zinc/54/91/15/1064549115.db2.gz NFJYQMBTVOFAFW-VQIMIIECSA-N 0 0 453.302 4.893 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)n1 ZINC001435149764 1064549725 /nfs/dbraw/zinc/54/97/25/1064549725.db2.gz UXVHUCZLQAIQLI-UHFFFAOYSA-N 0 0 456.346 4.940 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359860671 1064550171 /nfs/dbraw/zinc/55/01/71/1064550171.db2.gz KUKPURMOPBJPIE-UHFFFAOYSA-N 0 0 472.728 4.857 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 ZINC001435151402 1064550977 /nfs/dbraw/zinc/55/09/77/1064550977.db2.gz BLGFBQSLIONHHP-UHFFFAOYSA-N 0 0 450.579 4.563 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359861261 1064551319 /nfs/dbraw/zinc/55/13/19/1064551319.db2.gz PPNGCALBTRUKBP-UHFFFAOYSA-N 0 0 498.663 4.525 20 0 JJADRN CC(C)n1ncc(C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)c1I ZINC001435152276 1064551513 /nfs/dbraw/zinc/55/15/13/1064551513.db2.gz FEABRVDVMGNDOW-JTQLQIEISA-N 0 0 450.223 4.588 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1cnn(Cc2ccccc2)c1Br ZINC001435154500 1064552551 /nfs/dbraw/zinc/55/25/51/1064552551.db2.gz PMKUVJMJBQGWMX-UHFFFAOYSA-N 0 0 453.109 4.848 20 0 JJADRN Cc1c(C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)nnn1-c1ccccc1Br ZINC001435155057 1064552654 /nfs/dbraw/zinc/55/26/54/1064552654.db2.gz UYMMUVGHEUYXRE-LBPRGKRZSA-N 0 0 452.255 4.858 20 0 JJADRN COc1cc(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc(OC)c1OC ZINC001435156387 1064553231 /nfs/dbraw/zinc/55/32/31/1064553231.db2.gz QURAIBKWGLVAOS-LLVKDONJSA-N 0 0 458.736 4.559 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(Oc4ccccc4)cc3C)cn2)cc1 ZINC001359863416 1064553240 /nfs/dbraw/zinc/55/32/40/1064553240.db2.gz LLRLPSXXZDFGCC-UHFFFAOYSA-N 0 0 456.502 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cnn(Cc3cccnc3)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001359863778 1064553496 /nfs/dbraw/zinc/55/34/96/1064553496.db2.gz WBWRMFRQESWFRV-YADHBBJMSA-N 0 0 481.984 4.569 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359864560 1064554089 /nfs/dbraw/zinc/55/40/89/1064554089.db2.gz OSFCHWIUJTXDCK-SFHVURJKSA-N 0 0 468.568 4.644 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001359864897 1064554977 /nfs/dbraw/zinc/55/49/77/1064554977.db2.gz TZGUVUIIMMSBNF-JOCHJYFZSA-N 0 0 454.663 4.552 20 0 JJADRN CCC(CC)(C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)C(=O)OC(C)(C)C ZINC001435158510 1064554942 /nfs/dbraw/zinc/55/49/42/1064554942.db2.gz QKQMGFHINYNQLP-QFIPXVFZSA-N 0 0 452.595 4.525 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1 ZINC001435159330 1064555395 /nfs/dbraw/zinc/55/53/95/1064555395.db2.gz VPPRSMWCICVOPE-VWLOTQADSA-N 0 0 451.526 4.878 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(F)c(I)c2)c1 ZINC001435160048 1064555759 /nfs/dbraw/zinc/55/57/59/1064555759.db2.gz GOPRZMZHLFSVCU-XMMPIXPASA-N 0 0 459.324 4.730 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1I ZINC001435160512 1064556481 /nfs/dbraw/zinc/55/64/81/1064556481.db2.gz IRESFNJHJYGLLE-XMMPIXPASA-N 0 0 455.361 4.899 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001359865928 1064556501 /nfs/dbraw/zinc/55/65/01/1064556501.db2.gz KVGNFRUOWWGXEU-GBXCKJPGSA-N 0 0 491.474 4.758 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC001435161274 1064556758 /nfs/dbraw/zinc/55/67/58/1064556758.db2.gz NDOFQPINKIEOGN-SSEXGKCCSA-N 0 0 459.589 4.553 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC001435160594 1064556792 /nfs/dbraw/zinc/55/67/92/1064556792.db2.gz JMMZLTXBAZKCEU-YTTGMZPUSA-N 0 0 457.546 4.939 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@](C)(O)c1cccs1 ZINC001359866220 1064556928 /nfs/dbraw/zinc/55/69/28/1064556928.db2.gz ODANXCKPDCWTSS-CYFREDJKSA-N 0 0 492.592 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1C[C@H]1CCO[C@H](C)C1 ZINC001359866118 1064557096 /nfs/dbraw/zinc/55/70/96/1064557096.db2.gz NPDAXFJIOGFNLW-LQWHRVPQSA-N 0 0 477.447 4.632 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCCC[C@H]2C)c1 ZINC001435161966 1064557879 /nfs/dbraw/zinc/55/78/79/1064557879.db2.gz PTJQXSGYUXPRHR-GUDVDZBRSA-N 0 0 458.599 4.912 20 0 JJADRN O=C(C[C@H]1OCCc2ccccc21)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435162124 1064557892 /nfs/dbraw/zinc/55/78/92/1064557892.db2.gz JESGTMNVUCNOEU-LJQANCHMSA-N 0 0 457.317 4.678 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)Nc1nnc(-c3cccc(Br)c3)s1)=C2 ZINC001435162192 1064557969 /nfs/dbraw/zinc/55/79/69/1064557969.db2.gz KIXLWXLHUDHSHZ-UHFFFAOYSA-N 0 0 458.337 4.781 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001359866511 1064557999 /nfs/dbraw/zinc/55/79/99/1064557999.db2.gz SUJOYXXJKOMGBE-IEIRFRATSA-N 0 0 491.474 4.878 20 0 JJADRN CC[C@@H](C)CN(C)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC001435162368 1064558438 /nfs/dbraw/zinc/55/84/38/1064558438.db2.gz RTBGUFYFFLOVHS-LJQANCHMSA-N 0 0 454.592 4.548 20 0 JJADRN COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1NC(=O)C1CCCCC1 ZINC001435162875 1064558804 /nfs/dbraw/zinc/55/88/04/1064558804.db2.gz QBCXEZKTJSLWLF-UHFFFAOYSA-N 0 0 458.942 4.820 20 0 JJADRN CCCN(C(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccc(Cl)cc1 ZINC001435162636 1064559002 /nfs/dbraw/zinc/55/90/02/1064559002.db2.gz NJJQPZZNAFUDPI-UHFFFAOYSA-N 0 0 451.748 4.661 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)Cc2cccc(I)c2)c2ccccn2)cc1 ZINC001435163081 1064559058 /nfs/dbraw/zinc/55/90/58/1064559058.db2.gz WMDBNRAXFZNXOM-NRFANRHFSA-N 0 0 456.327 4.637 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC001435163045 1064559068 /nfs/dbraw/zinc/55/90/68/1064559068.db2.gz VYPVASGSFKKREH-SFHVURJKSA-N 0 0 455.382 4.742 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC001435162847 1064559098 /nfs/dbraw/zinc/55/90/98/1064559098.db2.gz VJVKQZVAOJURGA-HKBQPEDESA-N 0 0 456.589 4.767 20 0 JJADRN C[C@H]1SCCN(C(=O)c2ncc(Br)cc2Br)[C@@H]1c1ccccc1 ZINC001435163750 1064559442 /nfs/dbraw/zinc/55/94/42/1064559442.db2.gz KRAHWIDRVKLZFE-BZNIZROVSA-N 0 0 456.203 4.925 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359868204 1064560179 /nfs/dbraw/zinc/56/01/79/1064560179.db2.gz IRAKPJPXLIAIPK-XLIONFOSSA-N 0 0 456.566 4.504 20 0 JJADRN COc1ccc(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)cc1I ZINC001435164091 1064560237 /nfs/dbraw/zinc/56/02/37/1064560237.db2.gz MCDURMBCZHOMNX-ACJLOTCBSA-N 0 0 453.345 4.619 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccc(Br)c2)c2ccc(OC)cc2OC)cc1 ZINC001435164935 1064560458 /nfs/dbraw/zinc/56/04/58/1064560458.db2.gz DNSDWGGFKUNHOB-JOCHJYFZSA-N 0 0 456.336 4.994 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)ccc2Br ZINC001435164559 1064560719 /nfs/dbraw/zinc/56/07/19/1064560719.db2.gz RNYPIBSQZZNWLU-CHWSQXEVSA-N 0 0 451.361 4.974 20 0 JJADRN CCO[C@@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)C1CCOCC1 ZINC001435166150 1064561567 /nfs/dbraw/zinc/56/15/67/1064561567.db2.gz TZCNKNDPWCJOAS-HSZRJFAPSA-N 0 0 455.530 4.581 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)cc21 ZINC001435165864 1064561603 /nfs/dbraw/zinc/56/16/03/1064561603.db2.gz HXSWHWCFHZACII-UHFFFAOYSA-N 0 0 454.958 4.668 20 0 JJADRN CS[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001435166052 1064561697 /nfs/dbraw/zinc/56/16/97/1064561697.db2.gz SELCAQKEOFQHDH-WMZOPIPTSA-N 0 0 456.612 4.956 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1F ZINC001435166705 1064562230 /nfs/dbraw/zinc/56/22/30/1064562230.db2.gz JZAAWKKNRYBQTP-YTTGMZPUSA-N 0 0 451.498 4.736 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H]1CSCCS1 ZINC001359869511 1064562100 /nfs/dbraw/zinc/56/21/00/1064562100.db2.gz ZQJZJNRVYJTERG-IRXDYDNUSA-N 0 0 481.757 4.657 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359869324 1064562381 /nfs/dbraw/zinc/56/23/81/1064562381.db2.gz WCRNWNUBSPLCKA-OAQYLSRUSA-N 0 0 490.048 4.575 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)cc21 ZINC001435167097 1064562619 /nfs/dbraw/zinc/56/26/19/1064562619.db2.gz LZYMCUSBRMVYEN-UHFFFAOYSA-N 0 0 458.465 4.782 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001435167794 1064562998 /nfs/dbraw/zinc/56/29/98/1064562998.db2.gz HCERCYUYUYATFU-FQEVSTJZSA-N 0 0 458.345 4.515 20 0 JJADRN O=C(Nc1ccc(OC(=O)c2cc3c(c(Br)c2)OCO3)cc1)c1ccc(F)cc1 ZINC001359872087 1064563278 /nfs/dbraw/zinc/56/32/78/1064563278.db2.gz BDGWKIUEWRBSOT-UHFFFAOYSA-N 0 0 458.239 4.788 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359872642 1064563955 /nfs/dbraw/zinc/56/39/55/1064563955.db2.gz DXFCIBUWBNOKHV-BRWVUGGUSA-N 0 0 459.557 4.874 20 0 JJADRN CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359873848 1064564253 /nfs/dbraw/zinc/56/42/53/1064564253.db2.gz OTBTYNQNKMJGPD-QFIPXVFZSA-N 0 0 488.698 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359873749 1064564555 /nfs/dbraw/zinc/56/45/55/1064564555.db2.gz QLWZVDMKXOQOEU-QRVBRYPASA-N 0 0 463.692 4.596 20 0 JJADRN COc1ccc(SCCCC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001435169832 1064564572 /nfs/dbraw/zinc/56/45/72/1064564572.db2.gz GXGXCUALOMVJSW-INIZCTEOSA-N 0 0 454.514 4.861 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)c2C(F)(F)F)c1 ZINC001435170192 1064565236 /nfs/dbraw/zinc/56/52/36/1064565236.db2.gz OFTPEYLSQWQUTQ-PMERELPUSA-N 0 0 455.889 4.984 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)ccc1Cl ZINC001435170149 1064565277 /nfs/dbraw/zinc/56/52/77/1064565277.db2.gz NPGSTNMJAGJWPX-LJAQVGFWSA-N 0 0 455.407 4.787 20 0 JJADRN CCc1ccc(NC(=O)Cc2ccc(Br)c(Br)c2)c(C(=O)OC)c1 ZINC001435170294 1064565330 /nfs/dbraw/zinc/56/53/30/1064565330.db2.gz NTXULQUHXDXVFV-UHFFFAOYSA-N 0 0 455.146 4.742 20 0 JJADRN Cc1nn(C)c(C)c1C(=O)C(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 ZINC001435171843 1064566177 /nfs/dbraw/zinc/56/61/77/1064566177.db2.gz ZNJNVXRZJAKDMN-UHFFFAOYSA-N 0 0 453.970 4.727 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cn2)c1C ZINC001435171898 1064566297 /nfs/dbraw/zinc/56/62/97/1064566297.db2.gz YTGHBSSZQVASPT-UHFFFAOYSA-N 0 0 453.564 4.820 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001359876075 1064566393 /nfs/dbraw/zinc/56/63/93/1064566393.db2.gz STPVEAFQFOSCPA-HXUWFJFHSA-N 0 0 466.630 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)CCC(C)(C)c3ccccc3)nc2)CC1 ZINC001359876320 1064566507 /nfs/dbraw/zinc/56/65/07/1064566507.db2.gz XTCUCWCOEMRNDB-UHFFFAOYSA-N 0 0 452.599 4.835 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC001435172414 1064566713 /nfs/dbraw/zinc/56/67/13/1064566713.db2.gz WXCLMLGLGWVHRJ-LJAQVGFWSA-N 0 0 450.391 4.986 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001435172665 1064566849 /nfs/dbraw/zinc/56/68/49/1064566849.db2.gz YPGIZTKOZOQTRN-UHFFFAOYSA-N 0 0 451.386 4.917 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)ccc1Cl ZINC001435172159 1064566939 /nfs/dbraw/zinc/56/69/39/1064566939.db2.gz VLUFCDDPOHECDL-PMERELPUSA-N 0 0 458.889 4.616 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)/C(C)=C/c3ccc(C)cc3)c2)cc1 ZINC001435172400 1064566988 /nfs/dbraw/zinc/56/69/88/1064566988.db2.gz WTPFQVFYXZRMKF-XDJHFCHBSA-N 0 0 450.560 4.524 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001435173803 1064567658 /nfs/dbraw/zinc/56/76/58/1064567658.db2.gz UKNLZRXBZCQKOT-MRXNPFEDSA-N 0 0 452.473 4.536 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)[C@H](C)C1 ZINC001435173858 1064567813 /nfs/dbraw/zinc/56/78/13/1064567813.db2.gz SVIWIRLZFVQJBX-KBVBSXBZSA-N 0 0 454.121 4.747 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@H](C)Cc1cccs1 ZINC001359877684 1064567784 /nfs/dbraw/zinc/56/77/84/1064567784.db2.gz VUHYHTCLQWHNBP-AQNXPRMDSA-N 0 0 473.687 4.720 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2)C1 ZINC001359877364 1064567901 /nfs/dbraw/zinc/56/79/01/1064567901.db2.gz AXOVWUXPGUTUOR-QUCCMNQESA-N 0 0 462.685 4.507 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 ZINC001359877934 1064568249 /nfs/dbraw/zinc/56/82/49/1064568249.db2.gz ZAXQBFKHRHOQSJ-HXUWFJFHSA-N 0 0 493.574 4.514 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCOC[C@H]1c1ccco1 ZINC001435174601 1064568439 /nfs/dbraw/zinc/56/84/39/1064568439.db2.gz FRDZKCZJJLTIPA-ZDUSSCGKSA-N 0 0 455.102 4.765 20 0 JJADRN CCSCc1cc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)no1 ZINC001435175309 1064568781 /nfs/dbraw/zinc/56/87/81/1064568781.db2.gz YUSKFBXEMKDNGF-UHFFFAOYSA-N 0 0 455.555 4.608 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCSC2)C1 ZINC001359878410 1064569540 /nfs/dbraw/zinc/56/95/40/1064569540.db2.gz ITCJLMCETFENCC-STSQHVNTSA-N 0 0 465.063 4.812 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001359878366 1064569706 /nfs/dbraw/zinc/56/97/06/1064569706.db2.gz IBPZZNQGLPTNIR-DFBJGRDBSA-N 0 0 475.703 4.993 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001435176677 1064570036 /nfs/dbraw/zinc/57/00/36/1064570036.db2.gz WMXKTQXAKDIJFT-IAGOWNOFSA-N 0 0 452.526 4.979 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359878554 1064570204 /nfs/dbraw/zinc/57/02/04/1064570204.db2.gz JNMSOHBREMCYIC-CQGGRAHPSA-N 0 0 479.488 4.881 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001359878733 1064570322 /nfs/dbraw/zinc/57/03/22/1064570322.db2.gz MNISABLYMLWHTB-HWBMXIPRSA-N 0 0 487.664 4.786 20 0 JJADRN CCOc1cc(CNC(=O)c2cc(Br)c(C)cc2Br)ccc1OC ZINC001435177449 1064570560 /nfs/dbraw/zinc/57/05/60/1064570560.db2.gz CHESYUNRCZIXGR-UHFFFAOYSA-N 0 0 457.162 4.857 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccn(C)n2)C1 ZINC001359879064 1064570769 /nfs/dbraw/zinc/57/07/69/1064570769.db2.gz OVUAZZZDQFOYGC-HNNXBMFYSA-N 0 0 461.383 4.501 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNC(=O)C(C)C)C1 ZINC001359878786 1064570811 /nfs/dbraw/zinc/57/08/11/1064570811.db2.gz NCRWOZBKUUWPLL-KRWDZBQOSA-N 0 0 494.453 4.881 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(C)C)C1 ZINC001359879195 1064571408 /nfs/dbraw/zinc/57/14/08/1064571408.db2.gz QRUMTSQQAHJFHX-HXUWFJFHSA-N 0 0 475.703 4.750 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2CCOCC2)C1 ZINC001359879294 1064571725 /nfs/dbraw/zinc/57/17/25/1064571725.db2.gz SNYRLSKPKDHYEH-GOSISDBHSA-N 0 0 464.452 4.735 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359879385 1064572337 /nfs/dbraw/zinc/57/23/37/1064572337.db2.gz VCMNLVHHBTZRIO-OALUTQOASA-N 0 0 480.650 4.643 20 0 JJADRN O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001435181108 1064572577 /nfs/dbraw/zinc/57/25/77/1064572577.db2.gz OAUNEVICQNCEPK-UHFFFAOYSA-N 0 0 452.432 4.577 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 ZINC001359879615 1064572679 /nfs/dbraw/zinc/57/26/79/1064572679.db2.gz YZYTUKWISNPRBY-VWPQPMDRSA-N 0 0 488.076 4.939 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001359879499 1064572848 /nfs/dbraw/zinc/57/28/48/1064572848.db2.gz XCFXCOIZPGJFJU-SFHVURJKSA-N 0 0 470.568 4.928 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 ZINC001435182253 1064573065 /nfs/dbraw/zinc/57/30/65/1064573065.db2.gz WQOYFWVUZHODSP-KRWDZBQOSA-N 0 0 458.515 4.557 20 0 JJADRN C[C@@H](NC(=O)c1nccnc1Sc1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435182960 1064573576 /nfs/dbraw/zinc/57/35/76/1064573576.db2.gz GPPDLQZIJQWAEH-QGZVFWFLSA-N 0 0 455.543 4.766 20 0 JJADRN COCCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(Cl)c1 ZINC001435182953 1064573618 /nfs/dbraw/zinc/57/36/18/1064573618.db2.gz GOXHEDBKUBJNLL-MRXNPFEDSA-N 0 0 453.926 4.504 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)ccn2)CC1 ZINC001435182469 1064573628 /nfs/dbraw/zinc/57/36/28/1064573628.db2.gz CTRCPPNKQLJCJT-UHFFFAOYSA-N 0 0 454.571 4.640 20 0 JJADRN Cn1nc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1-c1ccc(F)cc1 ZINC001435182502 1064573727 /nfs/dbraw/zinc/57/37/27/1064573727.db2.gz CNMNPCWDAVOHJT-UHFFFAOYSA-N 0 0 458.896 4.510 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@@H]2CCOC2)C1 ZINC001359880838 1064574377 /nfs/dbraw/zinc/57/43/77/1064574377.db2.gz JXKHUWFJKJRIJA-IEBWSBKVSA-N 0 0 495.437 4.915 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@H]2CCOC2)C1 ZINC001359880836 1064574505 /nfs/dbraw/zinc/57/45/05/1064574505.db2.gz JXKHUWFJKJRIJA-HKUYNNGSSA-N 0 0 495.437 4.915 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C1 ZINC001359881009 1064574582 /nfs/dbraw/zinc/57/45/82/1064574582.db2.gz LMFQPSKNFQXSPC-INIZCTEOSA-N 0 0 475.410 4.695 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359881448 1064574961 /nfs/dbraw/zinc/57/49/61/1064574961.db2.gz POYBZQNKEKQYMR-VQTJNVASSA-N 0 0 499.656 4.844 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)CCCc3ccccc3)C2)cc1 ZINC001435186024 1064575857 /nfs/dbraw/zinc/57/58/57/1064575857.db2.gz UUWVTZWFEZGZOK-HSZRJFAPSA-N 0 0 456.652 4.561 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359882062 1064576044 /nfs/dbraw/zinc/57/60/44/1064576044.db2.gz WXMKXVODDCAHPJ-LEWJYISDSA-N 0 0 468.646 4.860 20 0 JJADRN CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC001435186893 1064576121 /nfs/dbraw/zinc/57/61/21/1064576121.db2.gz UGGXSRCHEHMIMG-CYBMUJFWSA-N 0 0 457.354 4.635 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCS2)C1 ZINC001359882856 1064576708 /nfs/dbraw/zinc/57/67/08/1064576708.db2.gz DJADSLSTBPUUHH-ACRUOGEOSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC(F)F)C1 ZINC001359882391 1064576721 /nfs/dbraw/zinc/57/67/21/1064576721.db2.gz ARTVDJWNBZUCPH-LJQANCHMSA-N 0 0 455.553 4.980 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC001435188136 1064577395 /nfs/dbraw/zinc/57/73/95/1064577395.db2.gz ABSSBJPCNMQWHQ-FQEVSTJZSA-N 0 0 450.398 4.661 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359883835 1064578353 /nfs/dbraw/zinc/57/83/53/1064578353.db2.gz JWIGFJGEVBYVDR-SFTDATJTSA-N 0 0 489.686 4.763 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)s2)cc1 ZINC001435188774 1064578429 /nfs/dbraw/zinc/57/84/29/1064578429.db2.gz NXTKOIBOKDGMOY-NVXWUHKLSA-N 0 0 453.564 4.619 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001359884018 1064578694 /nfs/dbraw/zinc/57/86/94/1064578694.db2.gz RKFYELQEKJBWIB-HNNXBMFYSA-N 0 0 452.776 4.734 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)[C@H](C)CO1 ZINC001435190087 1064579682 /nfs/dbraw/zinc/57/96/82/1064579682.db2.gz FERKXHKKWBPLTH-DOMZBBRYSA-N 0 0 454.162 4.517 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)[C@H](C)CO1 ZINC001435190555 1064580190 /nfs/dbraw/zinc/58/01/90/1064580190.db2.gz GZOWTANFIKBWBP-WBMJQRKESA-N 0 0 454.162 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)C1 ZINC001359885306 1064580361 /nfs/dbraw/zinc/58/03/61/1064580361.db2.gz YNMZVVQRZGDQMO-LADGPHEKSA-N 0 0 497.684 4.806 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC001435191321 1064580505 /nfs/dbraw/zinc/58/05/05/1064580505.db2.gz LVHPDYJEMGUVJP-XMMPIXPASA-N 0 0 456.546 4.790 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@H](c4ccccc4C)OC[C@@H]3C)CCCC2)c1 ZINC001435192078 1064580947 /nfs/dbraw/zinc/58/09/47/1064580947.db2.gz PUQMWQVXVFWBBK-JTHBVZDNSA-N 0 0 455.620 4.687 20 0 JJADRN COc1cccc(-n2c(NC(=O)C(=O)c3ccc(Br)s3)nc3ccccc32)c1 ZINC001435191648 1064581155 /nfs/dbraw/zinc/58/11/55/1064581155.db2.gz OIFYVCCGLUPXQB-UHFFFAOYSA-N 0 0 456.321 4.680 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)c2c1 ZINC001435192327 1064581479 /nfs/dbraw/zinc/58/14/79/1064581479.db2.gz QADQOJHAMHCWLI-LAUBAEHRSA-N 0 0 453.583 4.934 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435193120 1064582084 /nfs/dbraw/zinc/58/20/84/1064582084.db2.gz SMFWVEAGTJTHFP-CLOONOSVSA-N 0 0 453.579 4.930 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(Cl)cc1Br ZINC001435193527 1064582111 /nfs/dbraw/zinc/58/21/11/1064582111.db2.gz YBNUZJHDOJQHRN-LBPRGKRZSA-N 0 0 458.581 4.874 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001359886548 1064582517 /nfs/dbraw/zinc/58/25/17/1064582517.db2.gz NCAHUUCLJMTMJE-CPJSRVTESA-N 0 0 454.018 4.697 20 0 JJADRN COc1ccc(CN(C(=O)c2sc(N(C)C)nc2Cl)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001359886805 1064582859 /nfs/dbraw/zinc/58/28/59/1064582859.db2.gz ISEZNMANYFVNRP-UHFFFAOYSA-N 0 0 455.971 4.903 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001435195065 1064583244 /nfs/dbraw/zinc/58/32/44/1064583244.db2.gz LAZMKQVUUNLAMN-NQEOSIRZSA-N 0 0 451.998 4.520 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359887403 1064583461 /nfs/dbraw/zinc/58/34/61/1064583461.db2.gz UTJOFLFSGFYJGT-PMACEKPBSA-N 0 0 478.106 4.817 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2nn(C)c(C)c2Br)c1 ZINC001435195201 1064583534 /nfs/dbraw/zinc/58/35/34/1064583534.db2.gz NVOBXZOLHUMLMA-HXUWFJFHSA-N 0 0 456.384 4.830 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001435196186 1064584105 /nfs/dbraw/zinc/58/41/05/1064584105.db2.gz MSBXZARIDCNRCQ-VQQMMKBISA-N 0 0 458.599 4.511 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)s2)cc1 ZINC001435196077 1064584116 /nfs/dbraw/zinc/58/41/16/1064584116.db2.gz QQIQWNHMFZXGDT-QGZVFWFLSA-N 0 0 459.612 4.901 20 0 JJADRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC001435195913 1064584130 /nfs/dbraw/zinc/58/41/30/1064584130.db2.gz PPLJQGPCYUZOOB-QZTJIDSGSA-N 0 0 453.633 4.844 20 0 JJADRN O=C(Nc1ccccc1CC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001435196220 1064584215 /nfs/dbraw/zinc/58/42/15/1064584215.db2.gz AMYSGBYDDNXMSL-OAHLLOKOSA-N 0 0 456.411 4.884 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCOc2ccccc2C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435196392 1064584635 /nfs/dbraw/zinc/58/46/35/1064584635.db2.gz NKBAKKCBTOGDMF-AREMUKBSSA-N 0 0 451.588 4.690 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2CC(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001435196355 1064584795 /nfs/dbraw/zinc/58/47/95/1064584795.db2.gz RNQWBMKLQAJRBE-HXUWFJFHSA-N 0 0 459.384 4.897 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C1CC1 ZINC001359888228 1064585107 /nfs/dbraw/zinc/58/51/07/1064585107.db2.gz XTBYOLNBXWILLE-HSZRJFAPSA-N 0 0 451.954 4.613 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC001435196714 1064585434 /nfs/dbraw/zinc/58/54/34/1064585434.db2.gz AUWDNRUMZPTLNN-UHFFFAOYSA-N 0 0 456.521 4.748 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001435197502 1064585646 /nfs/dbraw/zinc/58/56/46/1064585646.db2.gz QRFVLRPCDBTJOS-FHJLPGHOSA-N 0 0 451.542 4.507 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001359888629 1064585794 /nfs/dbraw/zinc/58/57/94/1064585794.db2.gz HGJYFRCPQVSVQJ-HYBUGGRVSA-N 0 0 466.573 4.768 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC001435197882 1064585832 /nfs/dbraw/zinc/58/58/32/1064585832.db2.gz DGHTYARLVXJXMM-HXUWFJFHSA-N 0 0 453.560 4.577 20 0 JJADRN COc1cc(C2(C(=O)Nc3ccc(CCn4cc(Br)cn4)cc3)CC2)ccc1C ZINC001435197807 1064585930 /nfs/dbraw/zinc/58/59/30/1064585930.db2.gz JHHZNDHVYQMSMT-UHFFFAOYSA-N 0 0 454.368 4.876 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)c1noc(C)n1 ZINC001435197945 1064585966 /nfs/dbraw/zinc/58/59/66/1064585966.db2.gz HAPDMOPOMFLWFU-OAQYLSRUSA-N 0 0 450.882 4.747 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2C1 ZINC001359889071 1064587037 /nfs/dbraw/zinc/58/70/37/1064587037.db2.gz KYXKPLFQJCHZOV-QHCPKHFHSA-N 0 0 472.431 4.754 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001435200235 1064587124 /nfs/dbraw/zinc/58/71/24/1064587124.db2.gz UNROSMHPLXFSCP-UHFFFAOYSA-N 0 0 457.412 4.866 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Br ZINC001359889356 1064587522 /nfs/dbraw/zinc/58/75/22/1064587522.db2.gz AZLLVSDXPFUCES-HSZRJFAPSA-N 0 0 474.447 4.870 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@@H](C)O1 ZINC001435200470 1064587767 /nfs/dbraw/zinc/58/77/67/1064587767.db2.gz WGITWVPUDYLNLC-QZTJIDSGSA-N 0 0 457.412 4.520 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359890137 1064589213 /nfs/dbraw/zinc/58/92/13/1064589213.db2.gz HSABFQNAWCXLJM-BCHFMIIMSA-N 0 0 456.631 4.776 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001359890308 1064589335 /nfs/dbraw/zinc/58/93/35/1064589335.db2.gz RRFNMKJYYAZIGA-XFQAVAEZSA-N 0 0 452.441 4.848 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001359890403 1064589438 /nfs/dbraw/zinc/58/94/38/1064589438.db2.gz JOZVHSJLAHDMAB-NFQMXDRXSA-N 0 0 492.624 4.681 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)[C@H](c2cccc(Br)c2)N2CCCC2)CC1 ZINC001435203602 1064590047 /nfs/dbraw/zinc/59/00/47/1064590047.db2.gz VRPSADPTRQZJAA-QFIPXVFZSA-N 0 0 455.396 4.708 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359890423 1064590286 /nfs/dbraw/zinc/59/02/86/1064590286.db2.gz JVSPMBOPPGRHTR-VWLOTQADSA-N 0 0 492.064 4.700 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 ZINC001359890804 1064590301 /nfs/dbraw/zinc/59/03/01/1064590301.db2.gz MJMILCHHOPSPKZ-NRFANRHFSA-N 0 0 453.400 4.880 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC001435203893 1064590337 /nfs/dbraw/zinc/59/03/37/1064590337.db2.gz HEKPFSFUDWAJHW-QFIPXVFZSA-N 0 0 458.599 4.858 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 ZINC001359891088 1064590573 /nfs/dbraw/zinc/59/05/73/1064590573.db2.gz XMNPVYDVEFSLKP-UUOWRZLLSA-N 0 0 465.038 4.874 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)(F)F ZINC001359890890 1064590636 /nfs/dbraw/zinc/59/06/36/1064590636.db2.gz VVVLRFIVCUKYSZ-QGZVFWFLSA-N 0 0 466.346 4.612 20 0 JJADRN CCCN(C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001435205249 1064590623 /nfs/dbraw/zinc/59/06/23/1064590623.db2.gz CLHCXAPZNUJKEN-DZFGPLHGSA-N 0 0 457.640 4.934 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359891032 1064591047 /nfs/dbraw/zinc/59/10/47/1064591047.db2.gz NNGUDMLCRIHOCU-BVZFJXPGSA-N 0 0 492.064 4.889 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001359891092 1064591121 /nfs/dbraw/zinc/59/11/21/1064591121.db2.gz XQUBEBDCKFOKIS-DNQXCXABSA-N 0 0 491.474 4.902 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCC2)C1 ZINC001359891209 1064591768 /nfs/dbraw/zinc/59/17/68/1064591768.db2.gz YQTVXYYKDRUCKT-QFIPXVFZSA-N 0 0 450.986 4.684 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N(C[C@@H]2CCCO2)c2ccncc2)nnc1-c1ccccc1 ZINC001435206698 1064591746 /nfs/dbraw/zinc/59/17/46/1064591746.db2.gz OMRLENOGEOXMLA-RXVVDRJESA-N 0 0 451.596 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ZINC001359894170 1064595068 /nfs/dbraw/zinc/59/50/68/1064595068.db2.gz LIQQDXDIYJVEKW-RDPSFJRHSA-N 0 0 464.557 4.522 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001359894006 1064595147 /nfs/dbraw/zinc/59/51/47/1064595147.db2.gz KEUNCVMAXJKBRX-CPJLOUKISA-N 0 0 489.567 4.669 20 0 JJADRN CCc1c(C(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cnn1CC(C)C ZINC001435214620 1064595496 /nfs/dbraw/zinc/59/54/96/1064595496.db2.gz BRAWLFKHPFNTIY-FGZHOGPDSA-N 0 0 454.615 4.753 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001435214492 1064595529 /nfs/dbraw/zinc/59/55/29/1064595529.db2.gz SFTGHFRDIKRETP-IBGZPJMESA-N 0 0 455.551 4.663 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001359894600 1064595692 /nfs/dbraw/zinc/59/56/92/1064595692.db2.gz OVYRLMOFONIQEP-CGYQNGNCSA-N 0 0 479.547 4.770 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001359894692 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VUGAKZKDECQDJC-LEWJYISDSA-N 0 0 454.567 4.664 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001359896138 1064598307 /nfs/dbraw/zinc/59/83/07/1064598307.db2.gz NNPUBKQWJNHLNS-JLRUASKGSA-N 0 0 461.050 4.715 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001359895981 1064598433 /nfs/dbraw/zinc/59/84/33/1064598433.db2.gz LOPGJZPLVPYOSG-VWLOTQADSA-N 0 0 463.617 4.659 20 0 JJADRN CCc1ncc(Cl)c(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)n1 ZINC001435218926 1064598913 /nfs/dbraw/zinc/59/89/13/1064598913.db2.gz MCLYCUUZGPWKGQ-UHFFFAOYSA-N 0 0 451.954 4.707 20 0 JJADRN C[C@H]1Cc2ccccc2N(C(=O)c2cc(Br)cc(I)c2)C1 ZINC001359896572 1064598960 /nfs/dbraw/zinc/59/89/60/1064598960.db2.gz HTUJRLVTDIGHEI-NSHDSACASA-N 0 0 456.121 4.893 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001359896951 1064599345 /nfs/dbraw/zinc/59/93/45/1064599345.db2.gz VCKHZTYPIYWPJD-UZEJHQAJSA-N 0 0 462.585 4.761 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1F ZINC001435219452 1064599470 /nfs/dbraw/zinc/59/94/70/1064599470.db2.gz CAYZXXHSRIATLF-UHFFFAOYSA-N 0 0 454.567 4.940 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001359896793 1064599505 /nfs/dbraw/zinc/59/95/05/1064599505.db2.gz SUWQZZTZOYJVQC-FNZWTVRRSA-N 0 0 452.647 4.924 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359897077 1064599581 /nfs/dbraw/zinc/59/95/81/1064599581.db2.gz VIOCEEPRRWCJQU-NDEPHWFRSA-N 0 0 495.716 4.822 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001359897287 1064600162 /nfs/dbraw/zinc/60/01/62/1064600162.db2.gz WPDRPICNDSOUEV-UQBPGWFLSA-N 0 0 478.703 4.655 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)ccc1F ZINC001435220194 1064600748 /nfs/dbraw/zinc/60/07/48/1064600748.db2.gz HOUQUDAQMFSPOA-UHFFFAOYSA-N 0 0 459.518 4.720 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359897524 1064600754 /nfs/dbraw/zinc/60/07/54/1064600754.db2.gz YXLPYYLCMPHBHE-SNOBZRMMSA-N 0 0 456.631 4.850 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001359897646 1064600773 /nfs/dbraw/zinc/60/07/73/1064600773.db2.gz DFRKQLLVYOPZKA-XMMPIXPASA-N 0 0 456.464 4.695 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 ZINC001359897553 1064600782 /nfs/dbraw/zinc/60/07/82/1064600782.db2.gz ZKCBSOQLYUIQHU-ARYDLPKYSA-N 0 0 456.631 4.993 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@H](COCc2ccccc2)c2ccccc2)C1 ZINC001435221433 1064601368 /nfs/dbraw/zinc/60/13/68/1064601368.db2.gz XDDJOHXKDDFYOQ-ILBGXUMGSA-N 0 0 451.611 4.528 20 0 JJADRN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001435221792 1064602242 /nfs/dbraw/zinc/60/22/42/1064602242.db2.gz QADFLYTVHACTOG-QFIPXVFZSA-N 0 0 456.564 4.739 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)Cc1cccc(Br)c1 ZINC001435222577 1064603166 /nfs/dbraw/zinc/60/31/66/1064603166.db2.gz NOHJZWXJSRWLAN-DJJJIMSYSA-N 0 0 451.311 4.605 20 0 JJADRN CC(C)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001359898712 1064603360 /nfs/dbraw/zinc/60/33/60/1064603360.db2.gz GKQUJCGGKJLCEM-UHFFFAOYSA-N 0 0 453.965 4.779 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)ccc1F ZINC001435222983 1064603863 /nfs/dbraw/zinc/60/38/63/1064603863.db2.gz SPVMQNPCSZISJZ-HUUCEWRRSA-N 0 0 459.370 4.952 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 ZINC001359899039 1064604551 /nfs/dbraw/zinc/60/45/51/1064604551.db2.gz JXKDIJZDMXZDCT-REWPJTCUSA-N 0 0 480.575 4.703 20 0 JJADRN Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1N1CCCS1(=O)=O ZINC001435224169 1064605440 /nfs/dbraw/zinc/60/54/40/1064605440.db2.gz BYSUAMYKJBXBOT-UHFFFAOYSA-N 0 0 459.365 4.703 20 0 JJADRN CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)ccc21 ZINC001435226414 1064606212 /nfs/dbraw/zinc/60/62/12/1064606212.db2.gz OWYDKMJHDHAIJX-ROUUACIJSA-N 0 0 454.596 4.536 20 0 JJADRN CC(C)CCCn1c(C(=O)NC(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001359899405 1064606213 /nfs/dbraw/zinc/60/62/13/1064606213.db2.gz OIPDWKJUNZRFFB-INIZCTEOSA-N 0 0 462.436 4.739 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Br)c3cc(C)oc32)c1 ZINC001435225376 1064606367 /nfs/dbraw/zinc/60/63/67/1064606367.db2.gz CQXFXGQWBOIWCT-UHFFFAOYSA-N 0 0 451.342 4.908 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359899676 1064607130 /nfs/dbraw/zinc/60/71/30/1064607130.db2.gz KRFIIVGIYRRMIB-BSRJHKFKSA-N 0 0 450.624 4.514 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3cc(C)cc(Br)c3o2)c1 ZINC001435227302 1064607161 /nfs/dbraw/zinc/60/71/61/1064607161.db2.gz QOHNQPCJLLHZDG-UHFFFAOYSA-N 0 0 451.342 4.908 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC001435227476 1064607700 /nfs/dbraw/zinc/60/77/00/1064607700.db2.gz VKKIINYWXSEGNC-XLIONFOSSA-N 0 0 458.986 4.922 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 ZINC001359900168 1064608485 /nfs/dbraw/zinc/60/84/85/1064608485.db2.gz OIQIPDNNWHWSAH-RPWUZVMVSA-N 0 0 497.467 4.968 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C[C@H](C)c3ccc(F)cc3F)cc2)CC1 ZINC001435229782 1064609126 /nfs/dbraw/zinc/60/91/26/1064609126.db2.gz DWKQPTOZUYORGX-INIZCTEOSA-N 0 0 458.505 4.512 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001359901168 1064609870 /nfs/dbraw/zinc/60/98/70/1064609870.db2.gz WDZKIUKCLPLBAH-KBMIEXCESA-N 0 0 454.640 4.905 20 0 JJADRN CNC(=O)c1cccc(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)c1 ZINC001435230627 1064609883 /nfs/dbraw/zinc/60/98/83/1064609883.db2.gz CIRHJRQRZCKUFC-GFCCVEGCSA-N 0 0 458.381 4.732 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001435230429 1064610048 /nfs/dbraw/zinc/61/00/48/1064610048.db2.gz IYMBATCDEQUSLC-MRXNPFEDSA-N 0 0 459.612 4.946 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC001435231182 1064610922 /nfs/dbraw/zinc/61/09/22/1064610922.db2.gz RNKYAYNHPYQYMJ-UHFFFAOYSA-N 0 0 459.346 4.935 20 0 JJADRN C[C@@H]1CC[C@@H](OC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC001435231533 1064611645 /nfs/dbraw/zinc/61/16/45/1064611645.db2.gz MQKNYNHLPRMXGN-KGVIQGDOSA-N 0 0 450.000 4.899 20 0 JJADRN CC(C)CCCn1c(-c2cccc(Br)c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001359901914 1064612425 /nfs/dbraw/zinc/61/24/25/1064612425.db2.gz FCPAYMLLTBQKHI-UHFFFAOYSA-N 0 0 474.447 4.735 20 0 JJADRN CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001359901950 1064612463 /nfs/dbraw/zinc/61/24/63/1064612463.db2.gz FTNXXTHUTDRWDS-WIYYLYMNSA-N 0 0 483.078 4.911 20 0 JJADRN CC(C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001359901881 1064612501 /nfs/dbraw/zinc/61/25/01/1064612501.db2.gz DVJGUXFRHASPMG-HXUWFJFHSA-N 0 0 492.661 4.931 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(Br)s1 ZINC001435232545 1064612570 /nfs/dbraw/zinc/61/25/70/1064612570.db2.gz QJCOTNWPBOYOMX-HIFRSBDPSA-N 0 0 451.386 4.561 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c(OCCC)c1 ZINC001435231966 1064612593 /nfs/dbraw/zinc/61/25/93/1064612593.db2.gz NQLOKGNCYAGRRA-QFIPXVFZSA-N 0 0 454.567 4.825 20 0 JJADRN CC(C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001359902109 1064612924 /nfs/dbraw/zinc/61/29/24/1064612924.db2.gz IZCUETCNQFCVHZ-QGZVFWFLSA-N 0 0 476.398 4.716 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c(C)c1 ZINC001435232574 1064613098 /nfs/dbraw/zinc/61/30/98/1064613098.db2.gz DSHDTMUARJHWAI-UHFFFAOYSA-N 0 0 455.562 4.649 20 0 JJADRN CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001359902304 1064613950 /nfs/dbraw/zinc/61/39/50/1064613950.db2.gz MXKGNBNZQYDSFQ-JTAQYXEDSA-N 0 0 476.065 4.665 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC001435233263 1064614092 /nfs/dbraw/zinc/61/40/92/1064614092.db2.gz RCVUHAYIPIMEHJ-UHFFFAOYSA-N 0 0 454.596 4.633 20 0 JJADRN CC(=O)N[C@@](C)(C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)C ZINC001435233152 1064614153 /nfs/dbraw/zinc/61/41/53/1064614153.db2.gz MXNDDBIFRDXFHO-RNODOKPDSA-N 0 0 452.418 4.609 20 0 JJADRN CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001359902290 1064614089 /nfs/dbraw/zinc/61/40/89/1064614089.db2.gz MRYBYXAECGSDML-UHFFFAOYSA-N 0 0 496.102 4.983 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001359902541 1064614593 /nfs/dbraw/zinc/61/45/93/1064614593.db2.gz PHPUBXZIWBHCGS-UHFFFAOYSA-N 0 0 474.369 4.828 20 0 JJADRN CC(C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001359902454 1064614756 /nfs/dbraw/zinc/61/47/56/1064614756.db2.gz OAXSGTIYALPSSC-UHFFFAOYSA-N 0 0 474.531 4.843 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1 ZINC001435236305 1064616278 /nfs/dbraw/zinc/61/62/78/1064616278.db2.gz KDJXJHMSKLWOPH-UHFFFAOYSA-N 0 0 455.624 4.801 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001359902918 1064616322 /nfs/dbraw/zinc/61/63/22/1064616322.db2.gz WTBWFYSERJTYEH-UHFFFAOYSA-N 0 0 480.476 4.654 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359902873 1064616412 /nfs/dbraw/zinc/61/64/12/1064616412.db2.gz WASXRXRYEIZIMJ-KRWDZBQOSA-N 0 0 493.494 4.849 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cnc3c(F)ccc(F)c3c2)c1 ZINC001435237394 1064617392 /nfs/dbraw/zinc/61/73/92/1064617392.db2.gz WKEFXFSGXISXDP-UHFFFAOYSA-N 0 0 459.518 4.719 20 0 JJADRN Cc1cccc(COc2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)c1 ZINC001435238344 1064618093 /nfs/dbraw/zinc/61/80/93/1064618093.db2.gz XFVNIOUSVWTGRS-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)sc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC001359904013 1064618641 /nfs/dbraw/zinc/61/86/41/1064618641.db2.gz NIQGNFKOZOMAJY-QMMMGPOBSA-N 0 0 458.175 4.649 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001359904042 1064618665 /nfs/dbraw/zinc/61/86/65/1064618665.db2.gz OGCAPNRAKHZWPU-QHCPKHFHSA-N 0 0 459.993 4.757 20 0 JJADRN CC(C)CCCn1c(-c2cccnc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359904321 1064618769 /nfs/dbraw/zinc/61/87/69/1064618769.db2.gz MPJKLDAQBNHXCI-FPOVZHCZSA-N 0 0 456.635 4.906 20 0 JJADRN CC(C)CCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001359904778 1064619661 /nfs/dbraw/zinc/61/96/61/1064619661.db2.gz XYRWMFZNLRLOFO-IBGZPJMESA-N 0 0 454.569 4.938 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)COc2ccc(Br)cc2F)cc1 ZINC001435240244 1064619765 /nfs/dbraw/zinc/61/97/65/1064619765.db2.gz DSRJOKULELGMCD-LJQANCHMSA-N 0 0 450.348 4.526 20 0 JJADRN CC(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359904986 1064620063 /nfs/dbraw/zinc/62/00/63/1064620063.db2.gz FAQJNNCPZPXXJO-REWPJTCUSA-N 0 0 493.656 4.916 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCC(C)C ZINC001435241337 1064620605 /nfs/dbraw/zinc/62/06/05/1064620605.db2.gz PPIJGRFXCCPGQH-GOSISDBHSA-N 0 0 457.409 4.966 20 0 JJADRN C[C@@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)c1nc(-c2ccccc2)cs1 ZINC001359906032 1064620984 /nfs/dbraw/zinc/62/09/84/1064620984.db2.gz LCYQMFQFNIDZTL-IUODEOHRSA-N 0 0 456.365 4.876 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c(OC)c1 ZINC001359906343 1064621550 /nfs/dbraw/zinc/62/15/50/1064621550.db2.gz BJPZNQDGUBNTRV-VURMDHGXSA-N 0 0 456.539 4.649 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c2ccccc2Cl)cc1 ZINC001435243321 1064622084 /nfs/dbraw/zinc/62/20/84/1064622084.db2.gz YCNWTAXRIGDPLD-OAQYLSRUSA-N 0 0 453.926 4.613 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1F ZINC001435243465 1064622265 /nfs/dbraw/zinc/62/22/65/1064622265.db2.gz NQUUADZPVXVLJC-MRXNPFEDSA-N 0 0 459.949 4.686 20 0 JJADRN O=C(Nc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1)OCC(F)(F)F ZINC001359906903 1064622489 /nfs/dbraw/zinc/62/24/89/1064622489.db2.gz NGCTXGSEZQTQNY-UHFFFAOYSA-N 0 0 455.776 4.858 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2c(Cl)cccc2Br)c2ccc(Cl)cc21 ZINC001435243762 1064622701 /nfs/dbraw/zinc/62/27/01/1064622701.db2.gz PHVUULTWIVXCGF-NSHDSACASA-N 0 0 456.167 4.978 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001435244008 1064622735 /nfs/dbraw/zinc/62/27/35/1064622735.db2.gz JNLNNAVTZYHWGC-OBTVHEKISA-N 0 0 456.627 4.582 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)c2ccc(Cl)cc21 ZINC001435245138 1064623600 /nfs/dbraw/zinc/62/36/00/1064623600.db2.gz VLVBTSJDMREWJF-LBPRGKRZSA-N 0 0 456.167 4.978 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)CC)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435245315 1064623642 /nfs/dbraw/zinc/62/36/42/1064623642.db2.gz SEIRIZDLSHQEQD-QHCPKHFHSA-N 0 0 458.530 4.795 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Cl)cc1 ZINC001435245757 1064623670 /nfs/dbraw/zinc/62/36/70/1064623670.db2.gz NHZWMMSUXGWMMI-RTBURBONSA-N 0 0 451.007 4.514 20 0 JJADRN CC(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2cccs2)CC1 ZINC001359907971 1064623710 /nfs/dbraw/zinc/62/37/10/1064623710.db2.gz QLVZIUAVLRSDHY-UHFFFAOYSA-N 0 0 459.610 4.967 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359907933 1064623875 /nfs/dbraw/zinc/62/38/75/1064623875.db2.gz PJEPFGDHPJAOCX-MRXNPFEDSA-N 0 0 466.529 4.575 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)s1 ZINC001435247186 1064624466 /nfs/dbraw/zinc/62/44/66/1064624466.db2.gz RKMUJWXNUPGDOQ-MRXNPFEDSA-N 0 0 459.999 4.741 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc(C(F)(F)F)c1 ZINC001435246503 1064624481 /nfs/dbraw/zinc/62/44/81/1064624481.db2.gz ODVVELOEDVJCAL-OAQYLSRUSA-N 0 0 459.509 4.723 20 0 JJADRN C[C@@H]1CC[C@](C)(/C=C/C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1(C)C ZINC001435246422 1064624537 /nfs/dbraw/zinc/62/45/37/1064624537.db2.gz JIJVDIHFCQVXAW-WSQJMLKVSA-N 0 0 456.608 4.912 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Cc2noc3ccc(Br)cc32)cc1 ZINC001435246268 1064624593 /nfs/dbraw/zinc/62/45/93/1064624593.db2.gz SIMFXFFUDFVVCT-IBGZPJMESA-N 0 0 457.368 4.692 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001435247208 1064625073 /nfs/dbraw/zinc/62/50/73/1064625073.db2.gz NQNJNBFFPDEASD-PGRDOPGGSA-N 0 0 455.986 4.945 20 0 JJADRN CC(C)CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359908421 1064625170 /nfs/dbraw/zinc/62/51/70/1064625170.db2.gz CPUWHXOOKNXDPK-JOCHJYFZSA-N 0 0 471.552 4.879 20 0 JJADRN CC(C)CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359908572 1064625247 /nfs/dbraw/zinc/62/52/47/1064625247.db2.gz HRBRFVDHLLGKFU-NRFANRHFSA-N 0 0 471.646 4.829 20 0 JJADRN CC(C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359908361 1064625354 /nfs/dbraw/zinc/62/53/54/1064625354.db2.gz BLFZCTIYFAKVNR-OAQYLSRUSA-N 0 0 464.658 4.918 20 0 JJADRN CC(C)CCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001359909181 1064626189 /nfs/dbraw/zinc/62/61/89/1064626189.db2.gz UDNDEXHXZHMSAU-UHFFFAOYSA-N 0 0 451.659 4.871 20 0 JJADRN CCCN(C(=O)CCn1cc(Br)cn1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435249917 1064626486 /nfs/dbraw/zinc/62/64/86/1064626486.db2.gz JMZBLODMCAMTSV-JOCHJYFZSA-N 0 0 459.363 4.906 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 ZINC001435251148 1064627594 /nfs/dbraw/zinc/62/75/94/1064627594.db2.gz CAMUCYWKCSSZST-IZIIKQMZSA-N 0 0 452.595 4.844 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)nc1 ZINC001359910965 1064627641 /nfs/dbraw/zinc/62/76/41/1064627641.db2.gz GZBCORHEHVFDTP-UHFFFAOYSA-N 0 0 457.420 4.699 20 0 JJADRN CC(C)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(Oc2ccccc2F)c1 ZINC001359911405 1064628448 /nfs/dbraw/zinc/62/84/48/1064628448.db2.gz QIKBLDISGHFXOG-UHFFFAOYSA-N 0 0 489.555 4.782 20 0 JJADRN CC(C)CCCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001359911687 1064628482 /nfs/dbraw/zinc/62/84/82/1064628482.db2.gz DCONWOLFQSTOAW-LJQANCHMSA-N 0 0 451.409 4.671 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)cc2)c1C ZINC001435251602 1064628547 /nfs/dbraw/zinc/62/85/47/1064628547.db2.gz DGWJOWIFACIZOT-XXBNENTESA-N 0 0 459.590 4.921 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC001435252607 1064629290 /nfs/dbraw/zinc/62/92/90/1064629290.db2.gz BACJHZNFMBNPHZ-QGZVFWFLSA-N 0 0 455.027 4.712 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001359912147 1064630008 /nfs/dbraw/zinc/63/00/08/1064630008.db2.gz NKFBISAAOMYXIY-SFTDATJTSA-N 0 0 475.678 4.918 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001359912175 1064630113 /nfs/dbraw/zinc/63/01/13/1064630113.db2.gz OBFGQDGIHDKRBF-RXFWQSSRSA-N 0 0 491.677 4.561 20 0 JJADRN CC(C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001359912086 1064630147 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ZINC001359915498 1064636420 /nfs/dbraw/zinc/63/64/20/1064636420.db2.gz OCLYZOCLSIMGMO-UHFFFAOYSA-N 0 0 455.559 4.508 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359915284 1064636434 /nfs/dbraw/zinc/63/64/34/1064636434.db2.gz GRJUVNJOVANLTI-IBGZPJMESA-N 0 0 473.618 4.705 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435260009 1064636589 /nfs/dbraw/zinc/63/65/89/1064636589.db2.gz DPBKILNOHFBODX-QRLIIUEWSA-N 0 0 458.961 4.632 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)CC(F)(F)F ZINC001359915529 1064636656 /nfs/dbraw/zinc/63/66/56/1064636656.db2.gz PHQBRWQTIHVOPZ-UHFFFAOYSA-N 0 0 450.553 4.803 20 0 JJADRN C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1c(Cl)cccc1Cl ZINC001359916261 1064637593 /nfs/dbraw/zinc/63/75/93/1064637593.db2.gz PHKPQHKXYPJOEM-CQSZACIVSA-N 0 0 455.407 4.748 20 0 JJADRN CCn1c(SCC(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC001435261105 1064637685 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CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001359918405 1064641899 /nfs/dbraw/zinc/64/18/99/1064641899.db2.gz HEHVMRGBNYQLFV-UHFFFAOYSA-N 0 0 472.012 4.775 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(F)c1F ZINC001359918904 1064642616 /nfs/dbraw/zinc/64/26/16/1064642616.db2.gz RIAWCBJHGGDBSR-FQEVSTJZSA-N 0 0 493.599 4.590 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(Br)cc2cccnc21 ZINC001435266415 1064643322 /nfs/dbraw/zinc/64/33/22/1064643322.db2.gz OOADWYYLXJDNTC-KRWDZBQOSA-N 0 0 458.743 4.576 20 0 JJADRN O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001359919422 1064643320 /nfs/dbraw/zinc/64/33/20/1064643320.db2.gz GUWWCJDFHZPERF-UHFFFAOYSA-N 0 0 455.917 4.572 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)c(Cl)c1 ZINC001359919153 1064643447 /nfs/dbraw/zinc/64/34/47/1064643447.db2.gz YBNIXGOTQAHVDU-HXUWFJFHSA-N 0 0 496.027 4.910 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)cc1F ZINC001359919379 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453.421 4.684 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001435267327 1064644882 /nfs/dbraw/zinc/64/48/82/1064644882.db2.gz WOHZWNFUCPQFQJ-MSYCTHLASA-N 0 0 452.599 4.944 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359920753 1064645017 /nfs/dbraw/zinc/64/50/17/1064645017.db2.gz IMVXODLEMFUGOM-IFMALSPDSA-N 0 0 495.672 4.644 20 0 JJADRN Cn1cc(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)c2ccccc2c1=O ZINC001435266957 1064644959 /nfs/dbraw/zinc/64/49/59/1064644959.db2.gz HYEKBKWKPMNSKZ-UHFFFAOYSA-N 0 0 450.292 4.741 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001435267070 1064644977 /nfs/dbraw/zinc/64/49/77/1064644977.db2.gz VFLXGHMVYGJBRX-CYBMUJFWSA-N 0 0 450.848 4.578 20 0 JJADRN O=C(/C=C\c1ccsc1C(F)(F)F)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001435267668 1064645787 /nfs/dbraw/zinc/64/57/87/1064645787.db2.gz XFWQJJAFLNNRIK-DUQGCJEPSA-N 0 0 458.505 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C(C)(C)C)nn1)c1ccc(C(F)(F)F)cc1 ZINC001435267421 1064645826 /nfs/dbraw/zinc/64/58/26/1064645826.db2.gz KOQIBPLMHNOTSZ-KRWDZBQOSA-N 0 0 452.477 4.997 20 0 JJADRN O=C(/C=C/c1ccsc1C(F)(F)F)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001435267670 1064645884 /nfs/dbraw/zinc/64/58/84/1064645884.db2.gz XFWQJJAFLNNRIK-SGWGQVFISA-N 0 0 458.505 4.824 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1)c1cccs1 ZINC001435267360 1064645899 /nfs/dbraw/zinc/64/58/99/1064645899.db2.gz WDLDPDZYCBFSND-SFHVURJKSA-N 0 0 453.951 4.579 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(F)c(F)c1F ZINC001359921081 1064645871 /nfs/dbraw/zinc/64/58/71/1064645871.db2.gz UWSRGHJSWGISAZ-UHFFFAOYSA-N 0 0 456.516 4.659 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359920975 1064646157 /nfs/dbraw/zinc/64/61/57/1064646157.db2.gz QHSHVZMRTZWTTN-UHFFFAOYSA-N 0 0 465.495 4.983 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1)c1ccccc1 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ZINC001435281855 1064658887 /nfs/dbraw/zinc/65/88/87/1064658887.db2.gz TYUHSTREHNIWIK-UHFFFAOYSA-N 0 0 458.820 4.950 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(c3ccc(C)c(OC)c3)CCC2)c(Br)cc1F ZINC001435281868 1064658949 /nfs/dbraw/zinc/65/89/49/1064658949.db2.gz UDDUTCYUGWQNLG-UHFFFAOYSA-N 0 0 450.304 4.752 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC001359926647 1064660411 /nfs/dbraw/zinc/66/04/11/1064660411.db2.gz WMBGXLWBQOQLES-LJQANCHMSA-N 0 0 467.555 4.907 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(OC)c3c(c2)OCCO3)c2ccccc2Cl)c(C)c1 ZINC001435282794 1064660614 /nfs/dbraw/zinc/66/06/14/1064660614.db2.gz AJLNDUAEFOWXJC-QHCPKHFHSA-N 0 0 453.922 4.956 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n1 ZINC001435282914 1064660631 /nfs/dbraw/zinc/66/06/31/1064660631.db2.gz CEYVTPWIICHYCQ-HNNXBMFYSA-N 0 0 450.967 4.713 20 0 JJADRN Cc1nc(C)c(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)s1 ZINC001435283484 1064660976 /nfs/dbraw/zinc/66/09/76/1064660976.db2.gz 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CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)n2)cc1 ZINC001359928566 1064664522 /nfs/dbraw/zinc/66/45/22/1064664522.db2.gz IRPODYYJHUJFAG-HSZRJFAPSA-N 0 0 458.580 4.553 20 0 JJADRN Cn1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3C(F)(F)F)no2)n1 ZINC001359928522 1064664648 /nfs/dbraw/zinc/66/46/48/1064664648.db2.gz HQDOUJLPMXOXLC-UHFFFAOYSA-N 0 0 451.405 4.693 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 ZINC001435289384 1064664933 /nfs/dbraw/zinc/66/49/33/1064664933.db2.gz PQZWSUZJJMEENO-BVYCBKJFSA-N 0 0 455.396 4.905 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001435289798 1064665623 /nfs/dbraw/zinc/66/56/23/1064665623.db2.gz LGPULCREPHEJTL-OAHLLOKOSA-N 0 0 455.462 4.911 20 0 JJADRN CC[C@H](NC(=O)c1cc(C)cc(I)c1)c1nc(C(F)(F)F)cs1 ZINC001435291361 1064667133 /nfs/dbraw/zinc/66/71/33/1064667133.db2.gz PWRFONQMKYSQOO-NSHDSACASA-N 0 0 454.255 4.956 20 0 JJADRN CC[C@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1nc(C(F)(F)F)cs1 ZINC001435291256 1064667288 /nfs/dbraw/zinc/66/72/88/1064667288.db2.gz PAUNTJBQJGAKDJ-VIFPVBQESA-N 0 0 453.280 4.823 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccc(F)cc2O1 ZINC001435291684 1064667355 /nfs/dbraw/zinc/66/73/55/1064667355.db2.gz RCFVKMPUWOVIBN-UKRRQHHQSA-N 0 0 451.325 4.799 20 0 JJADRN Cc1nc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)ccc1Br ZINC001435292074 1064668332 /nfs/dbraw/zinc/66/83/32/1064668332.db2.gz PLSNEYGCXRVXDJ-UHFFFAOYSA-N 0 0 452.352 4.777 20 0 JJADRN CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001359930548 1064668497 /nfs/dbraw/zinc/66/84/97/1064668497.db2.gz LGHHSHHDUJYIIZ-DYESRHJHSA-N 0 0 488.057 4.936 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)Oc1ccc(Cl)cc1 ZINC001435293160 1064668736 /nfs/dbraw/zinc/66/87/36/1064668736.db2.gz FUKLLRXDWGHWSL-LBPRGKRZSA-N 0 0 454.777 4.606 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1 ZINC001435292666 1064668860 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458.010 4.626 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(c2cnccn2)CC1 ZINC001359932782 1064671488 /nfs/dbraw/zinc/67/14/88/1064671488.db2.gz FJELMMMBKXYADT-UHFFFAOYSA-N 0 0 490.837 4.524 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001359932813 1064671508 /nfs/dbraw/zinc/67/15/08/1064671508.db2.gz GHAZGIMBOHESTB-HNNXBMFYSA-N 0 0 463.449 4.618 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCOc1ccc(F)cc1 ZINC001359932822 1064671514 /nfs/dbraw/zinc/67/15/14/1064671514.db2.gz GODPDSCPLLWBGQ-UHFFFAOYSA-N 0 0 464.383 4.747 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435296094 1064672924 /nfs/dbraw/zinc/67/29/24/1064672924.db2.gz FXNRCTQGHCALQV-UHFFFAOYSA-N 0 0 457.500 4.665 20 0 JJADRN C[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)Oc1ccc(F)cc1 ZINC001435296685 1064672937 /nfs/dbraw/zinc/67/29/37/1064672937.db2.gz HJGQTBPLFBWRMQ-INIZCTEOSA-N 0 0 458.559 4.858 20 0 JJADRN CC(C)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001359932993 1064672990 /nfs/dbraw/zinc/67/29/90/1064672990.db2.gz ACZHRKPKFAQDEC-KSFYIVLOSA-N 0 0 481.410 4.667 20 0 JJADRN CC(C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001359933137 1064673022 /nfs/dbraw/zinc/67/30/22/1064673022.db2.gz NMLGWGXQFNTESS-IBGZPJMESA-N 0 0 461.383 4.968 20 0 JJADRN CC(C)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001359932992 1064673064 /nfs/dbraw/zinc/67/30/64/1064673064.db2.gz ACZHRKPKFAQDEC-AOMKIAJQSA-N 0 0 481.410 4.667 20 0 JJADRN CC(C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001359933364 1064673811 /nfs/dbraw/zinc/67/38/11/1064673811.db2.gz QPAAVOOTOKMCBV-LJQANCHMSA-N 0 0 464.701 4.725 20 0 JJADRN CC(C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001359933832 1064676204 /nfs/dbraw/zinc/67/62/04/1064676204.db2.gz YOAIGQNDHVAUQM-UHFFFAOYSA-N 0 0 496.102 4.720 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001359933972 1064677114 /nfs/dbraw/zinc/67/71/14/1064677114.db2.gz QSLDBUFRILWQPV-UHFFFAOYSA-N 0 0 480.476 4.797 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359934188 1064677960 /nfs/dbraw/zinc/67/79/60/1064677960.db2.gz ZDYTXHYRNVDQER-CYBMUJFWSA-N 0 0 480.398 4.888 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC001435304473 1064679403 /nfs/dbraw/zinc/67/94/03/1064679403.db2.gz XGEQBUOXPKKIGM-HRFSGMKKSA-N 0 0 454.574 4.586 20 0 JJADRN CCC[C@H](NC(=O)[C@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935725 1064679417 /nfs/dbraw/zinc/67/94/17/1064679417.db2.gz MEIKWNBOJYBJHB-FRGLQRNOSA-N 0 0 455.624 4.522 20 0 JJADRN CCC[C@H](NC(=O)[C@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935723 1064679468 /nfs/dbraw/zinc/67/94/68/1064679468.db2.gz MEIKWNBOJYBJHB-FHZYATBESA-N 0 0 455.624 4.522 20 0 JJADRN O=C(COC(=O)c1ccc(Oc2cccc(Br)c2)cc1)N1CCc2ccccc21 ZINC001359935651 1064679494 /nfs/dbraw/zinc/67/94/94/1064679494.db2.gz LCTOULNLPHKWHY-UHFFFAOYSA-N 0 0 452.304 4.988 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC001435304465 1064679481 /nfs/dbraw/zinc/67/94/81/1064679481.db2.gz XGEQBUOXPKKIGM-CCLHPLFOSA-N 0 0 454.574 4.586 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC001435305625 1064680018 /nfs/dbraw/zinc/68/00/18/1064680018.db2.gz CGSHHUDNLQYOHF-WMZHIEFXSA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC001359936549 1064680226 /nfs/dbraw/zinc/68/02/26/1064680226.db2.gz DDXWZUYYDGOIMO-UHFFFAOYSA-N 0 0 484.670 4.708 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1c(C)c(Br)ccc1C(=O)OC ZINC001435307016 1064680969 /nfs/dbraw/zinc/68/09/69/1064680969.db2.gz LXJKIWCGQLMZNU-UHFFFAOYSA-N 0 0 450.720 4.660 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001435307855 1064681601 /nfs/dbraw/zinc/68/16/01/1064681601.db2.gz JHZJBSVPHSHGES-FIXSFTCYSA-N 0 0 454.998 4.785 20 0 JJADRN CC(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001359938174 1064681642 /nfs/dbraw/zinc/68/16/42/1064681642.db2.gz GTUFFTRNNWOAHN-UHFFFAOYSA-N 0 0 480.613 4.951 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938412 1064682602 /nfs/dbraw/zinc/68/26/02/1064682602.db2.gz MWMVPXRPQRGUSV-HJPURHCSSA-N 0 0 450.608 4.988 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001435309294 1064683436 /nfs/dbraw/zinc/68/34/36/1064683436.db2.gz XEBGWTVUXUIOCK-PZJWPPBQSA-N 0 0 456.587 4.558 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001435309685 1064684248 /nfs/dbraw/zinc/68/42/48/1064684248.db2.gz NDFWMXZPPLJMGL-CYBMUJFWSA-N 0 0 455.755 4.769 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(OC)ccc1Br ZINC001435312030 1064685088 /nfs/dbraw/zinc/68/50/88/1064685088.db2.gz BZTSSUDYSVWTGY-UHFFFAOYSA-N 0 0 457.162 4.761 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc1 ZINC001359940551 1064685156 /nfs/dbraw/zinc/68/51/56/1064685156.db2.gz IFPYGLVMUPTGPD-OALUTQOASA-N 0 0 453.560 4.775 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 ZINC001435312837 1064685710 /nfs/dbraw/zinc/68/57/10/1064685710.db2.gz OWZXNBRLEDEPKJ-UHFFFAOYSA-N 0 0 457.577 4.522 20 0 JJADRN COc1ccc(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc1S(C)(=O)=O ZINC001435312497 1064685731 /nfs/dbraw/zinc/68/57/31/1064685731.db2.gz IGIRRUISXONZOH-UHFFFAOYSA-N 0 0 459.564 4.677 20 0 JJADRN CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001359941448 1064685854 /nfs/dbraw/zinc/68/58/54/1064685854.db2.gz UFHNJSVIHKXMQR-UHFFFAOYSA-N 0 0 462.038 4.873 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001359941690 1064686568 /nfs/dbraw/zinc/68/65/68/1064686568.db2.gz WKBZUJXCAXQCJS-FCHUYYIVSA-N 0 0 485.629 4.680 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 ZINC001435313840 1064686762 /nfs/dbraw/zinc/68/67/62/1064686762.db2.gz UTCXYOVQVPNZCW-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cccc(OCC(F)F)n1)CCO2 ZINC001435313658 1064686774 /nfs/dbraw/zinc/68/67/74/1064686774.db2.gz NCTLSKXOSPGFQX-NRFANRHFSA-N 0 0 454.473 4.900 20 0 JJADRN O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(F)c(F)cc1I ZINC001435314110 1064686855 /nfs/dbraw/zinc/68/68/55/1064686855.db2.gz XITXHKRVKUTXKW-UHFFFAOYSA-N 0 0 457.136 4.606 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001359943061 1064687408 /nfs/dbraw/zinc/68/74/08/1064687408.db2.gz AJYMCQROOKYKQD-GOEBONIOSA-N 0 0 459.450 4.985 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC001435315531 1064687376 /nfs/dbraw/zinc/68/73/76/1064687376.db2.gz IAYYNKKGPHOBLF-UHFFFAOYSA-N 0 0 456.486 4.633 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc1 ZINC001435315735 1064687399 /nfs/dbraw/zinc/68/73/99/1064687399.db2.gz XWQUIPMFQDEBQU-KSZLIROESA-N 0 0 456.970 4.936 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N(Cc1c(F)cccc1F)C1CC1 ZINC001359943490 1064688291 /nfs/dbraw/zinc/68/82/91/1064688291.db2.gz BCFFLVGUKLTDMN-UHFFFAOYSA-N 0 0 459.566 4.763 20 0 JJADRN CC(C)CCn1c(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359944028 1064689022 /nfs/dbraw/zinc/68/90/22/1064689022.db2.gz MZMDXSDTADQVMJ-IBVKSMDESA-N 0 0 485.629 4.519 20 0 JJADRN COc1cccc(COCC(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 ZINC001435316866 1064689118 /nfs/dbraw/zinc/68/91/18/1064689118.db2.gz IMQBUBHIBNEKST-RUZDIDTESA-N 0 0 455.938 4.788 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001359944192 1064689836 /nfs/dbraw/zinc/68/98/36/1064689836.db2.gz OYDYJGLLZNVWLB-VQTJNVASSA-N 0 0 469.413 4.594 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001359944267 1064690830 /nfs/dbraw/zinc/69/08/30/1064690830.db2.gz REOLGCJRYTZPRG-UHFFFAOYSA-N 0 0 480.440 4.659 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001435317968 1064690950 /nfs/dbraw/zinc/69/09/50/1064690950.db2.gz OCFBEOVWMHLCNB-JOCHJYFZSA-N 0 0 453.926 4.628 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c(C)c12 ZINC001435318358 1064691964 /nfs/dbraw/zinc/69/19/64/1064691964.db2.gz UEYMJBWLADLUOJ-OAHLLOKOSA-N 0 0 451.571 4.660 20 0 JJADRN CC1CCC(N2C[C@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)CC2=O)CC1 ZINC001359945278 1064692481 /nfs/dbraw/zinc/69/24/81/1064692481.db2.gz JTRXVEACBVAJIY-GTMAMOSYSA-N 0 0 451.611 4.940 20 0 JJADRN Cc1cccc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)c1F ZINC001359945159 1064692533 /nfs/dbraw/zinc/69/25/33/1064692533.db2.gz FFGLGSQXFRNHBH-LJQANCHMSA-N 0 0 456.514 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2nc3cc(Br)ccc3[nH]2)C1 ZINC001435319206 1064692740 /nfs/dbraw/zinc/69/27/40/1064692740.db2.gz YXMFIDRAIRYXQJ-CYBMUJFWSA-N 0 0 451.365 4.691 20 0 JJADRN Cc1cc(=O)c(C(=O)NCc2cccc(OCC(C)C)c2)nn1-c1ccccc1C(F)(F)F ZINC001359945736 1064693419 /nfs/dbraw/zinc/69/34/19/1064693419.db2.gz IWYJZLXEAAVTTC-UHFFFAOYSA-N 0 0 459.468 4.525 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001435320127 1064693588 /nfs/dbraw/zinc/69/35/88/1064693588.db2.gz XZFGWYAGKVGPPB-HOTGVXAUSA-N 0 0 454.514 4.617 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)nc1 ZINC001435320039 1064693613 /nfs/dbraw/zinc/69/36/13/1064693613.db2.gz KXQYFTABYYQHLH-QFIPXVFZSA-N 0 0 456.995 4.955 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(C(F)F)nc2)c2ccc(Cl)cc2)c1 ZINC001435319559 1064693633 /nfs/dbraw/zinc/69/36/33/1064693633.db2.gz DYPVBWMSNYXMFU-LJQANCHMSA-N 0 0 450.894 4.596 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2c(Br)cccc2Br)cc1OC ZINC001435319783 1064693686 /nfs/dbraw/zinc/69/36/86/1064693686.db2.gz SLZARUZEUSDYIP-NSHDSACASA-N 0 0 457.162 4.590 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2CCOc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320240 1064694346 /nfs/dbraw/zinc/69/43/46/1064694346.db2.gz NVVQGXWAWVVALF-FYYLOGMGSA-N 0 0 455.963 4.515 20 0 JJADRN C[C@H]1Cc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccc(S(C)(=O)=O)c3)ccc2O1 ZINC001435320373 1064694421 /nfs/dbraw/zinc/69/44/21/1064694421.db2.gz OBFGNUJMPXFIRA-NPMXOYFQSA-N 0 0 455.963 4.586 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001359947002 1064695072 /nfs/dbraw/zinc/69/50/72/1064695072.db2.gz WKDGWTITKVMUDY-UHFFFAOYSA-N 0 0 452.374 4.902 20 0 JJADRN CC(C)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359947178 1064695756 /nfs/dbraw/zinc/69/57/56/1064695756.db2.gz BMEDIGBNSBKFFX-GOSISDBHSA-N 0 0 479.576 4.959 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001359947308 1064695851 /nfs/dbraw/zinc/69/58/51/1064695851.db2.gz GVVCNFUCXUGZHG-UXHICEINSA-N 0 0 485.629 4.672 20 0 JJADRN COc1ccc(CCCCCC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC001435322984 1064696511 /nfs/dbraw/zinc/69/65/11/1064696511.db2.gz NQDALZOSIBUOOE-FQEVSTJZSA-N 0 0 457.014 4.754 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001435325167 1064698014 /nfs/dbraw/zinc/69/80/14/1064698014.db2.gz VJZWFJMGTUGHJV-GDLZYMKVSA-N 0 0 453.347 4.570 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1(CC)CC ZINC001435325876 1064698827 /nfs/dbraw/zinc/69/88/27/1064698827.db2.gz AAHVPMDPVUEFIH-PWIZWCRZSA-N 0 0 455.426 4.946 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001435328856 1064700140 /nfs/dbraw/zinc/70/01/40/1064700140.db2.gz NKLHXTHTTCCLKB-RSXGOPAZSA-N 0 0 456.586 4.833 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001435328854 1064700296 /nfs/dbraw/zinc/70/02/96/1064700296.db2.gz NKLHXTHTTCCLKB-AOYPEHQESA-N 0 0 456.586 4.833 20 0 JJADRN CC(C)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)NCc1ccc(Cl)cc1 ZINC001359948705 1064700598 /nfs/dbraw/zinc/70/05/98/1064700598.db2.gz ZMAIBLOZGOMLSX-UHFFFAOYSA-N 0 0 455.994 4.648 20 0 JJADRN CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001435329738 1064700738 /nfs/dbraw/zinc/70/07/38/1064700738.db2.gz HKAZMBSJUIRPEW-VWLOTQADSA-N 0 0 451.906 4.598 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)C1(CC)CC ZINC001435329376 1064700756 /nfs/dbraw/zinc/70/07/56/1064700756.db2.gz WVPJVFKGXMQCAI-XZOQPEGZSA-N 0 0 458.624 4.534 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)C1(CC)CC ZINC001435329371 1064700825 /nfs/dbraw/zinc/70/08/25/1064700825.db2.gz WVPJVFKGXMQCAI-GOTSBHOMSA-N 0 0 458.624 4.534 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2cc(C(C)C)nn2CC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435329620 1064700835 /nfs/dbraw/zinc/70/08/35/1064700835.db2.gz HDSGRSODJIACRO-XMMPIXPASA-N 0 0 453.608 4.512 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001359948929 1064700982 /nfs/dbraw/zinc/70/09/82/1064700982.db2.gz SIUZKUAXKFLKQC-LEWJYISDSA-N 0 0 450.539 4.545 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC001435330103 1064701160 /nfs/dbraw/zinc/70/11/60/1064701160.db2.gz KILYYDJNXIUMHG-UZUQRXQVSA-N 0 0 457.979 4.725 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435329892 1064701288 /nfs/dbraw/zinc/70/12/88/1064701288.db2.gz QMGBYICTTMLYBP-YGMDYZATSA-N 0 0 453.535 4.547 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330427 1064701704 /nfs/dbraw/zinc/70/17/04/1064701704.db2.gz WKTFDVUYQSFWLI-DNQXCXABSA-N 0 0 455.551 4.601 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1 ZINC001435330393 1064701725 /nfs/dbraw/zinc/70/17/25/1064701725.db2.gz OLOSCKZIDKGDGE-UHFFFAOYSA-N 0 0 455.146 4.915 20 0 JJADRN CC(C)COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330438 1064701808 /nfs/dbraw/zinc/70/18/08/1064701808.db2.gz WOAZZUHBXPUOTB-XMMPIXPASA-N 0 0 455.551 4.783 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Oc1ccccc1OC(F)F ZINC001359949109 1064702251 /nfs/dbraw/zinc/70/22/51/1064702251.db2.gz WASCUMSUWKXLHX-UHFFFAOYSA-N 0 0 454.458 4.628 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@H](CC)OC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330672 1064702216 /nfs/dbraw/zinc/70/22/16/1064702216.db2.gz RIBPHNZEKCYZEP-LOSJGSFVSA-N 0 0 457.636 4.986 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@H](CC)OC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330670 1064702317 /nfs/dbraw/zinc/70/23/17/1064702317.db2.gz RIBPHNZEKCYZEP-DQEYMECFSA-N 0 0 457.636 4.986 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330745 1064702425 /nfs/dbraw/zinc/70/24/25/1064702425.db2.gz SMINOHRBSONXJU-NXCFDTQHSA-N 0 0 463.599 4.670 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331450 1064702714 /nfs/dbraw/zinc/70/27/14/1064702714.db2.gz FIKBTKPKHGNASL-LGVFNWMJSA-N 0 0 455.526 4.686 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@@H]2CCOC2)cc1 ZINC001359950112 1064703761 /nfs/dbraw/zinc/70/37/61/1064703761.db2.gz FCQFGEDFXHYOPY-LEWJYISDSA-N 0 0 456.631 4.800 20 0 JJADRN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435332067 1064703849 /nfs/dbraw/zinc/70/38/49/1064703849.db2.gz HDCWYLWOEIWJAL-FAFZWHIHSA-N 0 0 451.405 4.773 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)ccc2NC1=O ZINC001435332541 1064704087 /nfs/dbraw/zinc/70/40/87/1064704087.db2.gz KDQBKBMELMWHFS-KUHUBIRLSA-N 0 0 454.477 4.719 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359950278 1064704213 /nfs/dbraw/zinc/70/42/13/1064704213.db2.gz GKXHRFXGRRTYMI-UHFFFAOYSA-N 0 0 469.552 4.531 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc(Cl)cc3Br)ccc2NC1=O ZINC001435332577 1064704643 /nfs/dbraw/zinc/70/46/43/1064704643.db2.gz KYSUXNIYQPZAMV-APPDUMDISA-N 0 0 451.748 4.632 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2Cc2ccc(F)cn2)cc1 ZINC001359950342 1064704750 /nfs/dbraw/zinc/70/47/50/1064704750.db2.gz IEMNOFJAFHAOSG-OALUTQOASA-N 0 0 453.562 4.566 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001359950504 1064705314 /nfs/dbraw/zinc/70/53/14/1064705314.db2.gz JVQPHEHYSBWCJQ-LGVFNWMJSA-N 0 0 488.698 4.820 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)OCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001435333199 1064705308 /nfs/dbraw/zinc/70/53/08/1064705308.db2.gz HCOZRMROQNVROV-INIZCTEOSA-N 0 0 454.032 4.942 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3c(Cl)cc(F)cc3Br)ccc2NC1=O ZINC001435333640 1064705371 /nfs/dbraw/zinc/70/53/71/1064705371.db2.gz PYWOUEGKCZBOJP-BJOHPYRUSA-N 0 0 455.711 4.842 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001359950512 1064705340 /nfs/dbraw/zinc/70/53/40/1064705340.db2.gz JXLOSBKAWPIHMY-GPXNEJASSA-N 0 0 470.658 4.905 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC(=O)NCC2CC2)cc1 ZINC001359950485 1064705498 /nfs/dbraw/zinc/70/54/98/1064705498.db2.gz JJJFXLDSWGWARX-WOJBJXKFSA-N 0 0 453.631 4.521 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)ccc2NC1=O ZINC001435333695 1064705751 /nfs/dbraw/zinc/70/57/51/1064705751.db2.gz RCZHOMHZCHLLLO-HXPMCKFVSA-N 0 0 459.333 4.780 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001435333913 1064705876 /nfs/dbraw/zinc/70/58/76/1064705876.db2.gz PFVUEOQCWPSHJF-GOSISDBHSA-N 0 0 451.379 4.693 20 0 JJADRN CCC(CC)(CNC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1)c1ccc(Cl)cc1 ZINC001359950660 1064705877 /nfs/dbraw/zinc/70/58/77/1064705877.db2.gz KOYOJKWEFXZYNX-UHFFFAOYSA-N 0 0 459.034 4.607 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@]2(C)COCCO2)cc1 ZINC001359950680 1064706397 /nfs/dbraw/zinc/70/63/97/1064706397.db2.gz MNKPTDKUPSTGMN-AJTFRIOCSA-N 0 0 468.642 4.968 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cccc(N2CCOC2=O)c1)C(F)(F)F ZINC001435337183 1064708067 /nfs/dbraw/zinc/70/80/67/1064708067.db2.gz ZCIHCPRAECVSJM-FQEVSTJZSA-N 0 0 459.424 4.906 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001359951217 1064708631 /nfs/dbraw/zinc/70/86/31/1064708631.db2.gz UGILBFZETVVXND-FGZHOGPDSA-N 0 0 486.682 4.597 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCNC(=O)C2CC2)cc1 ZINC001359951184 1064708719 /nfs/dbraw/zinc/70/87/19/1064708719.db2.gz SYVWNBMFIRUFSE-UHFFFAOYSA-N 0 0 491.558 4.595 20 0 JJADRN CCOC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001435339468 1064709391 /nfs/dbraw/zinc/70/93/91/1064709391.db2.gz GQKDKNQGQYCVLL-GOSISDBHSA-N 0 0 454.470 4.645 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)Cc2cccs2)cc1 ZINC001359951236 1064709496 /nfs/dbraw/zinc/70/94/96/1064709496.db2.gz UQHPPFJIBRJVBR-NHCUHLMSSA-N 0 0 495.693 4.977 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC2=CCCOC2)cc1 ZINC001359951404 1064709862 /nfs/dbraw/zinc/70/98/62/1064709862.db2.gz XCLVPCSOFBAUKO-XMMPIXPASA-N 0 0 454.615 4.722 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435340145 1064709933 /nfs/dbraw/zinc/70/99/33/1064709933.db2.gz HJDXYYSMXYKFDX-KBXCAEBGSA-N 0 0 453.004 4.932 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435340146 1064710053 /nfs/dbraw/zinc/71/00/53/1064710053.db2.gz HJDXYYSMXYKFDX-KDOFPFPSSA-N 0 0 453.004 4.932 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCOc2ccc(Cl)c(F)c2)cc1 ZINC001359951382 1064709932 /nfs/dbraw/zinc/70/99/32/1064709932.db2.gz XEYALIZBHSXSPL-UHFFFAOYSA-N 0 0 450.938 4.632 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001359951548 1064710105 /nfs/dbraw/zinc/71/01/05/1064710105.db2.gz YTKNXYGOEIIEAN-WEZXKFLESA-N 0 0 478.728 4.859 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC001435342121 1064711209 /nfs/dbraw/zinc/71/12/09/1064711209.db2.gz HTWHBOMQYNHIRT-HNNXBMFYSA-N 0 0 455.352 4.987 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001435342238 1064711228 /nfs/dbraw/zinc/71/12/28/1064711228.db2.gz SXOQXASLNCKQRV-QHCPKHFHSA-N 0 0 451.954 4.781 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2=CCCCC2)cc1 ZINC001359951844 1064711835 /nfs/dbraw/zinc/71/18/35/1064711835.db2.gz HHVNYEXPXJUBGM-UHFFFAOYSA-N 0 0 486.682 4.884 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2CCCC2)cc1 ZINC001359951971 1064712151 /nfs/dbraw/zinc/71/21/51/1064712151.db2.gz KKYVKADOXDTKHV-NRFANRHFSA-N 0 0 453.631 4.652 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359951992 1064712852 /nfs/dbraw/zinc/71/28/52/1064712852.db2.gz KVERCWMGQQSGKU-VQTJNVASSA-N 0 0 455.647 4.767 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@]2(C)CCCS2)cc1 ZINC001359952066 1064712938 /nfs/dbraw/zinc/71/29/38/1064712938.db2.gz MECQHMYPEJYVBE-IBVKSMDESA-N 0 0 485.698 4.748 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3sc(Cc4ccc(F)cc4)nc3C)cc2)n1 ZINC001435345112 1064713454 /nfs/dbraw/zinc/71/34/54/1064713454.db2.gz NYMMBFDDTVRSFM-UHFFFAOYSA-N 0 0 453.495 4.925 20 0 JJADRN C[C@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)c2ccccc2N(C)C1=O ZINC001435346078 1064714050 /nfs/dbraw/zinc/71/40/50/1064714050.db2.gz SBLQEWRVYCQJQC-ZDUSSCGKSA-N 0 0 456.365 4.832 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCCc2cnn(C)n2)cc1 ZINC001359952328 1064714501 /nfs/dbraw/zinc/71/45/01/1064714501.db2.gz TUGHSGNBGSKPJW-UHFFFAOYSA-N 0 0 465.646 4.758 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCC2(F)CCC2)cc1 ZINC001359952329 1064714601 /nfs/dbraw/zinc/71/46/01/1064714601.db2.gz TUQUGLSITCIRJE-UHFFFAOYSA-N 0 0 492.661 4.666 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001359952358 1064715164 /nfs/dbraw/zinc/71/51/64/1064715164.db2.gz UFUAHZOKNLDRTQ-VHFRWLAGSA-N 0 0 470.658 4.782 20 0 JJADRN CC[C@@H](Cc1ccccc1)C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001435348505 1064715476 /nfs/dbraw/zinc/71/54/76/1064715476.db2.gz XPIBMQIMQOFWSE-MHECFPHRSA-N 0 0 457.542 4.843 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)C12CCCC2 ZINC001435349380 1064715641 /nfs/dbraw/zinc/71/56/41/1064715641.db2.gz KUYITCHAFPADEX-FCHUYYIVSA-N 0 0 459.633 4.709 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001359952494 1064715829 /nfs/dbraw/zinc/71/58/29/1064715829.db2.gz XEINLADAELIJFU-CTNGQTDRSA-N 0 0 489.611 4.766 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)CSCc2coc(-c3ccccc3)n2)n1 ZINC001435349941 1064716697 /nfs/dbraw/zinc/71/66/97/1064716697.db2.gz RGOCKFWCKNADKK-HNNXBMFYSA-N 0 0 450.520 4.511 20 0 JJADRN CS[C@@H]1CC[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C1 ZINC001435351598 1064717728 /nfs/dbraw/zinc/71/77/28/1064717728.db2.gz IZQSRPPFLXQDEC-VHSXEESVSA-N 0 0 454.852 4.589 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CCCCc2ccc(I)cc2)C12CCCC2 ZINC001435352499 1064718213 /nfs/dbraw/zinc/71/82/13/1064718213.db2.gz ZYOMIEKCDNWCNV-RTBURBONSA-N 0 0 455.380 4.858 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)CC1 ZINC001359954194 1064718544 /nfs/dbraw/zinc/71/85/44/1064718544.db2.gz GDPNDGDPYLAHFX-UHFFFAOYSA-N 0 0 464.452 4.813 20 0 JJADRN CS[C@H]1CC[C@H](NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001435353539 1064718798 /nfs/dbraw/zinc/71/87/98/1064718798.db2.gz WIDOLEINKYRVCU-HKUYNNGSSA-N 0 0 452.498 4.737 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001359954228 1064718994 /nfs/dbraw/zinc/71/89/94/1064718994.db2.gz GWGHCWZAJIDUPY-RUZDIDTESA-N 0 0 454.640 4.946 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@](C)(O)C(C)C)cc1 ZINC001359954259 1064719090 /nfs/dbraw/zinc/71/90/90/1064719090.db2.gz DEJLFNUCPIBYBF-FQRUVTKNSA-N 0 0 458.647 4.781 20 0 JJADRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(I)c(F)c1 ZINC001435353478 1064718963 /nfs/dbraw/zinc/71/89/63/1064718963.db2.gz YZLAWUMOKWOHCX-GFCCVEGCSA-N 0 0 452.050 4.601 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)cc1 ZINC001435354143 1064719452 /nfs/dbraw/zinc/71/94/52/1064719452.db2.gz BZUVIRUIJNHEIO-FQEVSTJZSA-N 0 0 453.857 4.502 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1 ZINC001435354476 1064719564 /nfs/dbraw/zinc/71/95/64/1064719564.db2.gz AAUIUQXEVDUCHM-UHFFFAOYSA-N 0 0 450.535 4.762 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001435354049 1064719589 /nfs/dbraw/zinc/71/95/89/1064719589.db2.gz PQMZCJVPROQMBT-GOSISDBHSA-N 0 0 452.580 4.682 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)Oc1ccc(N(C)C(=O)c3ccc(Cl)cc3)cc1)CO2 ZINC001435355421 1064720010 /nfs/dbraw/zinc/72/00/10/1064720010.db2.gz BJMFOYYIBVHJAP-SFHVURJKSA-N 0 0 451.906 4.782 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001359954368 1064720139 /nfs/dbraw/zinc/72/01/39/1064720139.db2.gz IKGCWWUCVPHGAW-XCBFCAQUSA-N 0 0 456.631 4.535 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359954421 1064720155 /nfs/dbraw/zinc/72/01/55/1064720155.db2.gz GSHANATZCFTGOP-TXTKFYIRSA-N 0 0 456.631 4.799 20 0 JJADRN CCc1[nH]c(C(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c(C)c1C(=O)OC ZINC001435355936 1064720585 /nfs/dbraw/zinc/72/05/85/1064720585.db2.gz GZOCDMXJJXMQIM-UHFFFAOYSA-N 0 0 454.910 4.821 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001359954537 1064720584 /nfs/dbraw/zinc/72/05/84/1064720584.db2.gz KSTJGJHISXCXEQ-AREMUKBSSA-N 0 0 457.663 4.646 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001359954606 1064720672 /nfs/dbraw/zinc/72/06/72/1064720672.db2.gz NEJVYCSXZJASRD-UHFFFAOYSA-N 0 0 462.642 4.680 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1nc(C(C)(C)C)no1 ZINC001435356816 1064721091 /nfs/dbraw/zinc/72/10/91/1064721091.db2.gz GBIUBKAEACHOJH-YJBOKZPZSA-N 0 0 456.587 4.803 20 0 JJADRN CCOC(=O)N1CCC(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)CC1 ZINC001435358095 1064722050 /nfs/dbraw/zinc/72/20/50/1064722050.db2.gz HECOQHFEKYOJTM-UHFFFAOYSA-N 0 0 451.405 4.636 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)n2)c1 ZINC001435357665 1064722073 /nfs/dbraw/zinc/72/20/73/1064722073.db2.gz LZIDMUSDFVSUAG-AWEZNQCLSA-N 0 0 456.930 4.996 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)COc3ccc(OCc4ccccc4)cc3)n2)c1 ZINC001435357762 1064722089 /nfs/dbraw/zinc/72/20/89/1064722089.db2.gz WXUHWSNUNNUNGV-SFHVURJKSA-N 0 0 459.502 4.580 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ccco2)cc1 ZINC001359954925 1064721997 /nfs/dbraw/zinc/72/19/97/1064721997.db2.gz NZKGTGFAMWOXPC-UHFFFAOYSA-N 0 0 477.531 4.696 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)C3(c4ccc(Br)cc4)CCC3)n2)c1 ZINC001435357713 1064722192 /nfs/dbraw/zinc/72/21/92/1064722192.db2.gz VFPZZDVWYZMVDS-CQSZACIVSA-N 0 0 456.340 4.807 20 0 JJADRN CCC1(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC001435357720 1064722206 /nfs/dbraw/zinc/72/22/06/1064722206.db2.gz VOHMVUFUXSZPBJ-UHFFFAOYSA-N 0 0 450.579 4.591 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)O)CC1 ZINC001359955000 1064722565 /nfs/dbraw/zinc/72/25/65/1064722565.db2.gz TWWSMDMQPPDDSY-UHFFFAOYSA-N 0 0 465.436 4.510 20 0 JJADRN C[C@]1(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)Oc2ccccc2NC1=O ZINC001435358531 1064722619 /nfs/dbraw/zinc/72/26/19/1064722619.db2.gz MRVLVGZELRYEHJ-JOCHJYFZSA-N 0 0 457.368 4.557 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001435358309 1064722631 /nfs/dbraw/zinc/72/26/31/1064722631.db2.gz LXFYBZRLIRDRCB-UHFFFAOYSA-N 0 0 453.384 4.726 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSCC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001359955171 1064723348 /nfs/dbraw/zinc/72/33/48/1064723348.db2.gz RKPVSVGEIIVBRN-RUZDIDTESA-N 0 0 458.672 4.864 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@@H]2CCOC2)cc1 ZINC001359955252 1064723729 /nfs/dbraw/zinc/72/37/29/1064723729.db2.gz SHCZENYOUPNJCI-WIYYLYMNSA-N 0 0 482.547 4.564 20 0 JJADRN O=C(N1CCS[C@H]2CCCC[C@@H]21)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435359869 1064723730 /nfs/dbraw/zinc/72/37/30/1064723730.db2.gz HLBMTMCXKRUJOT-OALUTQOASA-N 0 0 456.421 4.814 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360044 1064723785 /nfs/dbraw/zinc/72/37/85/1064723785.db2.gz JGZDQYVXBWOTEI-HIFRSBDPSA-N 0 0 454.308 4.687 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360046 1064723832 /nfs/dbraw/zinc/72/38/32/1064723832.db2.gz JGZDQYVXBWOTEI-ZFWWWQNUSA-N 0 0 454.308 4.687 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCCC2)CC1 ZINC001359955224 1064723944 /nfs/dbraw/zinc/72/39/44/1064723944.db2.gz YBZRVFCFKWKRIL-UHFFFAOYSA-N 0 0 492.039 4.815 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001359955497 1064724328 /nfs/dbraw/zinc/72/43/28/1064724328.db2.gz WTIQWKFPKMOGLY-XLIONFOSSA-N 0 0 466.598 4.736 20 0 JJADRN C[C@@H](C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F)n1nnc(-c2ccccc2)n1 ZINC001435362989 1064724755 /nfs/dbraw/zinc/72/47/55/1064724755.db2.gz VIWNOFGGTFEQAF-XHDPSFHLSA-N 0 0 455.234 4.510 20 0 JJADRN CCN(C(=O)CSCc1ccc(Br)cc1)c1ccccc1S(=O)(=O)CC ZINC001435362076 1064724777 /nfs/dbraw/zinc/72/47/77/1064724777.db2.gz HNTFOUMMZNFEMF-UHFFFAOYSA-N 0 0 456.427 4.529 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC001359957066 1064725111 /nfs/dbraw/zinc/72/51/11/1064725111.db2.gz IKNPXWNEMWCBEH-QHCPKHFHSA-N 0 0 456.030 4.787 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2C[C@@H]2C)cc1 ZINC001359955580 1064725273 /nfs/dbraw/zinc/72/52/73/1064725273.db2.gz YCMRTFIZSFTUKQ-GMAHTHKFSA-N 0 0 483.657 4.941 20 0 JJADRN CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC001435365251 1064726227 /nfs/dbraw/zinc/72/62/27/1064726227.db2.gz WNHNAEWMWMPOGY-LBPRGKRZSA-N 0 0 455.923 4.628 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(Cl)c2)CC1 ZINC001359957788 1064726382 /nfs/dbraw/zinc/72/63/82/1064726382.db2.gz DOJJYVCKKOLJHT-UHFFFAOYSA-N 0 0 454.018 4.997 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001359957868 1064726456 /nfs/dbraw/zinc/72/64/56/1064726456.db2.gz FZNGWKQXHFBENZ-VWLOTQADSA-N 0 0 461.050 4.715 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 ZINC001359957849 1064726502 /nfs/dbraw/zinc/72/65/02/1064726502.db2.gz FOYDJDGQCDNDBG-HHHXNRCGSA-N 0 0 467.658 4.875 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001359958042 1064726803 /nfs/dbraw/zinc/72/68/03/1064726803.db2.gz KYURSPOXDRYTRA-PMACEKPBSA-N 0 0 476.612 4.851 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001359958044 1064726817 /nfs/dbraw/zinc/72/68/17/1064726817.db2.gz KYURSPOXDRYTRA-VQTJNVASSA-N 0 0 476.612 4.851 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001359958043 1064726861 /nfs/dbraw/zinc/72/68/61/1064726861.db2.gz KYURSPOXDRYTRA-UXHICEINSA-N 0 0 476.612 4.851 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001359957970 1064727041 /nfs/dbraw/zinc/72/70/41/1064727041.db2.gz JAJYXWHTOXKEKN-LJQANCHMSA-N 0 0 476.691 4.749 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)NCCc1cc(F)ccc1F ZINC001435368690 1064727091 /nfs/dbraw/zinc/72/70/91/1064727091.db2.gz GDEFNMFWBLTIBK-UHFFFAOYSA-N 0 0 453.146 4.843 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001435367785 1064727267 /nfs/dbraw/zinc/72/72/67/1064727267.db2.gz MKFZTOUVVVNYAN-MBSDFSHPSA-N 0 0 452.599 4.580 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOC(C)C)CC1 ZINC001359958221 1064727294 /nfs/dbraw/zinc/72/72/94/1064727294.db2.gz PFDHNTIVNYNLFT-UHFFFAOYSA-N 0 0 453.631 4.893 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001435369731 1064727591 /nfs/dbraw/zinc/72/75/91/1064727591.db2.gz LSMCZLLWFJTHRQ-LVXARBLLSA-N 0 0 454.570 4.832 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2CCSC(F)(F)F)CC1 ZINC001359958311 1064727797 /nfs/dbraw/zinc/72/77/97/1064727797.db2.gz RRRXNSCLYVEFOB-UHFFFAOYSA-N 0 0 457.566 4.548 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001359958483 1064728516 /nfs/dbraw/zinc/72/85/16/1064728516.db2.gz XPMPZTAJESIHBT-LJQANCHMSA-N 0 0 481.563 4.666 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)C2)c1 ZINC001435373754 1064728635 /nfs/dbraw/zinc/72/86/35/1064728635.db2.gz XFBGSHPTQXAMJM-QGZVFWFLSA-N 0 0 455.555 4.592 20 0 JJADRN Cc1c(C(=O)OCc2cccc(OC(F)(F)F)c2)nnn1-c1cccc(Br)c1 ZINC001435373905 1064728669 /nfs/dbraw/zinc/72/86/69/1064728669.db2.gz YRQOAYVQGTXXII-UHFFFAOYSA-N 0 0 456.218 4.594 20 0 JJADRN Cc1nc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)ccc1I ZINC001435372924 1064728695 /nfs/dbraw/zinc/72/86/95/1064728695.db2.gz NZMZNWJXZAUUKE-UHFFFAOYSA-N 0 0 459.209 4.757 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cc(CCc3ccccc3)ccn2)CC1 ZINC001435372839 1064728721 /nfs/dbraw/zinc/72/87/21/1064728721.db2.gz ILQZDAFNHFSQBX-UHFFFAOYSA-N 0 0 456.590 4.769 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c1 ZINC001435374547 1064728773 /nfs/dbraw/zinc/72/87/73/1064728773.db2.gz AGNACQVLVDGIHW-LEWJYISDSA-N 0 0 458.558 4.959 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(I)c(C)n3)c2c1 ZINC001435373440 1064728808 /nfs/dbraw/zinc/72/88/08/1064728808.db2.gz TWSGHBFYPHYJJQ-UHFFFAOYSA-N 0 0 459.287 4.681 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC3(C)C)nnc2-c2cccnc2)cc1 ZINC001435374798 1064729110 /nfs/dbraw/zinc/72/91/10/1064729110.db2.gz SVSGINOXALMCIU-HXUWFJFHSA-N 0 0 451.596 4.515 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001435374994 1064729364 /nfs/dbraw/zinc/72/93/64/1064729364.db2.gz UAXJMUYIZNIYPG-UZFJHSOTSA-N 0 0 451.542 4.542 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359958659 1064729288 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LOTVCVYHCNZYAS-WOJBJXKFSA-N 0 0 480.451 4.636 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC001435379221 1064730591 /nfs/dbraw/zinc/73/05/91/1064730591.db2.gz KXUJHFWNPOWUMI-UHFFFAOYSA-N 0 0 450.539 4.532 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCC2)C1 ZINC001359959045 1064730539 /nfs/dbraw/zinc/73/05/39/1064730539.db2.gz PCFFKCCOKPTLAX-UHFFFAOYSA-N 0 0 450.425 4.869 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001359959299 1064731233 /nfs/dbraw/zinc/73/12/33/1064731233.db2.gz XCAFVQYJPDMNKC-HDICACEKSA-N 0 0 464.452 4.591 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001359959255 1064731305 /nfs/dbraw/zinc/73/13/05/1064731305.db2.gz WEMJHJCAYBZAHQ-HHHXNRCGSA-N 0 0 488.648 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)ccc21 ZINC001435380759 1064731291 /nfs/dbraw/zinc/73/12/91/1064731291.db2.gz QBPCOJLGQYCQPE-WJOKGBTCSA-N 0 0 454.470 4.864 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCC3(Sc4ccccc4)CC3)CC2=O)ccc1Br ZINC001359960727 1064732739 /nfs/dbraw/zinc/73/27/39/1064732739.db2.gz YVLKEOMCMCKCKR-INIZCTEOSA-N 0 0 459.409 4.552 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001359960752 1064732798 /nfs/dbraw/zinc/73/27/98/1064732798.db2.gz CTYZOLHDWNTTHS-GOTSBHOMSA-N 0 0 478.584 4.829 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001359961057 1064733174 /nfs/dbraw/zinc/73/31/74/1064733174.db2.gz MIROWXCKLULIBD-HSZRJFAPSA-N 0 0 454.615 4.624 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2sc(-c3ccccn3)nc2C)n1 ZINC001435385062 1064733241 /nfs/dbraw/zinc/73/32/41/1064733241.db2.gz IJMTZYLKMVDVFO-UHFFFAOYSA-N 0 0 455.927 4.658 20 0 JJADRN CC(C)CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1 ZINC001359960930 1064733266 /nfs/dbraw/zinc/73/32/66/1064733266.db2.gz JFWWTCFQTHWNQN-UHFFFAOYSA-N 0 0 463.667 4.834 20 0 JJADRN CC(C)CCOCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359960875 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NNZQONRKQHIPIE-UHFFFAOYSA-N 0 0 463.667 4.882 20 0 JJADRN C[C@H]1CN(C(=O)CCOCC(F)(F)C(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001435385995 1064733826 /nfs/dbraw/zinc/73/38/26/1064733826.db2.gz PXYOFXHXLJAEKM-INIZCTEOSA-N 0 0 452.448 4.510 20 0 JJADRN CC(C)CCOCCCn1c(CC2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001359961712 1064734257 /nfs/dbraw/zinc/73/42/57/1064734257.db2.gz CPWDNAWNYAOIQS-UHFFFAOYSA-N 0 0 468.568 4.699 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001359961540 1064734444 /nfs/dbraw/zinc/73/44/44/1064734444.db2.gz YCIMXKHVWQUICQ-VWPQPMDRSA-N 0 0 462.660 4.653 20 0 JJADRN CC(C)CCOCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359961791 1064734788 /nfs/dbraw/zinc/73/47/88/1064734788.db2.gz FJWPXORNOCTLOA-PGRDOPGGSA-N 0 0 493.574 4.959 20 0 JJADRN CC(C)CCOCCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001359961971 1064735288 /nfs/dbraw/zinc/73/52/88/1064735288.db2.gz JNNPLTCDVLHZEG-UHFFFAOYSA-N 0 0 461.695 4.647 20 0 JJADRN COCCOc1ccccc1COC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435390461 1064735481 /nfs/dbraw/zinc/73/54/81/1064735481.db2.gz CGHWZEZCFLZSDI-UHFFFAOYSA-N 0 0 458.146 4.523 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359962423 1064735734 /nfs/dbraw/zinc/73/57/34/1064735734.db2.gz XQWFGPATCPRBIJ-BHIFYINESA-N 0 0 464.695 4.901 20 0 JJADRN Cn1cc(I)c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)n1 ZINC001359963591 1064736373 /nfs/dbraw/zinc/73/63/73/1064736373.db2.gz TWBRZMSQSSPQGW-UHFFFAOYSA-N 0 0 455.658 4.737 20 0 JJADRN CC(C)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359963872 1064736419 /nfs/dbraw/zinc/73/64/19/1064736419.db2.gz DSFYHYPBPULRKP-QGZVFWFLSA-N 0 0 465.436 4.774 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001359964109 1064737439 /nfs/dbraw/zinc/73/74/39/1064737439.db2.gz KSQUUZQUPURDHJ-IBGZPJMESA-N 0 0 458.557 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CCC(F)(F)F)cc3)C2)cc1 ZINC001435395043 1064737656 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450.425 4.869 20 0 JJADRN C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(I)cc2Br)C1 ZINC001435397557 1064738647 /nfs/dbraw/zinc/73/86/47/1064738647.db2.gz YPLKTJNDBSZZTD-JQWIXIFHSA-N 0 0 452.130 4.588 20 0 JJADRN CC[C@@H]1CCCN(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2C)C1 ZINC001435396954 1064738733 /nfs/dbraw/zinc/73/87/33/1064738733.db2.gz WBFKLYNWWNQJKT-OAQYLSRUSA-N 0 0 458.624 4.546 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 ZINC001359964570 1064739532 /nfs/dbraw/zinc/73/95/32/1064739532.db2.gz YWMAVDAJXXKELV-UHFFFAOYSA-N 0 0 453.400 4.955 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)Oc1ccccc1C(F)(F)F ZINC001435398948 1064739733 /nfs/dbraw/zinc/73/97/33/1064739733.db2.gz FHONUKGRHGKLDX-HIFRSBDPSA-N 0 0 458.274 4.918 20 0 JJADRN CC(C)CCOCCn1c(-c2cccn2C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001359965071 1064739872 /nfs/dbraw/zinc/73/98/72/1064739872.db2.gz PTLCXUPNMGZNOV-IBGZPJMESA-N 0 0 458.006 4.657 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@@H]1C 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ODMYOWSVPPYTCM-QGZVFWFLSA-N 0 0 459.315 4.763 20 0 JJADRN Cn1cc(Br)cc(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1=O ZINC001435405584 1064742100 /nfs/dbraw/zinc/74/21/00/1064742100.db2.gz ONXMPBMLHMAOLH-UHFFFAOYSA-N 0 0 456.340 4.885 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)COc1ccccc1Br)C[C@@H](C)O2 ZINC001435405158 1064742181 /nfs/dbraw/zinc/74/21/81/1064742181.db2.gz OBYSKCRONHHORW-GFCCVEGCSA-N 0 0 455.146 4.713 20 0 JJADRN CC[C@H]1CCc2ccccc2N1C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001435405974 1064742276 /nfs/dbraw/zinc/74/22/76/1064742276.db2.gz IATDENSWFYZQJC-QAPCUYQASA-N 0 0 450.398 4.617 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1cnc(OCc3ccccc3)cn1)C[C@H](C)O2 ZINC001435406308 1064742810 /nfs/dbraw/zinc/74/28/10/1064742810.db2.gz QUCZURAWNCXJJD-HNNXBMFYSA-N 0 0 454.324 4.554 20 0 JJADRN CC(C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccco1 ZINC001359967566 1064742855 /nfs/dbraw/zinc/74/28/55/1064742855.db2.gz VRHHJLXWQJPCCO-UHFFFAOYSA-N 0 0 475.634 4.685 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001435408099 1064743156 /nfs/dbraw/zinc/74/31/56/1064743156.db2.gz WCLAAGZVLMUOFS-UHFFFAOYSA-N 0 0 454.246 4.515 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001359967628 1064743281 /nfs/dbraw/zinc/74/32/81/1064743281.db2.gz XADYDYMQFBLZFV-FQEVSTJZSA-N 0 0 497.471 4.611 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359967753 1064743298 /nfs/dbraw/zinc/74/32/98/1064743298.db2.gz ZQHBXJMDANTHMU-QHCPKHFHSA-N 0 0 472.630 4.637 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)n(C)n1 ZINC001435408073 1064743369 /nfs/dbraw/zinc/74/33/69/1064743369.db2.gz YXDCTCPFPSLRSO-UHFFFAOYSA-N 0 0 455.555 4.650 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC001435410165 1064743594 /nfs/dbraw/zinc/74/35/94/1064743594.db2.gz FQEWRSYCELZOML-LJQANCHMSA-N 0 0 456.533 4.554 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001359967943 1064743661 /nfs/dbraw/zinc/74/36/61/1064743661.db2.gz GSVUAFSDALCHTH-QHCPKHFHSA-N 0 0 470.017 4.558 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@H](CC)Oc3ccccc3Cl)cc2)c1C ZINC001435410059 1064743777 /nfs/dbraw/zinc/74/37/77/1064743777.db2.gz DUSKSJZZLJSYGN-IBGZPJMESA-N 0 0 455.942 4.598 20 0 JJADRN CC(C)CCOCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001359968419 1064744294 /nfs/dbraw/zinc/74/42/94/1064744294.db2.gz VVESUXPYAAVKKA-GOSISDBHSA-N 0 0 495.462 4.686 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359968521 1064744372 /nfs/dbraw/zinc/74/43/72/1064744372.db2.gz YUMZKLFUMMCBSS-RTWAWAEBSA-N 0 0 493.693 4.522 20 0 JJADRN CC(C)(CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(F)cc1 ZINC001359969412 1064744804 /nfs/dbraw/zinc/74/48/04/1064744804.db2.gz FSCSSXPOUDIXNU-UHFFFAOYSA-N 0 0 450.897 4.987 20 0 JJADRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC001435414177 1064745303 /nfs/dbraw/zinc/74/53/03/1064745303.db2.gz SDHXKCPFXVTHSF-JTQLQIEISA-N 0 0 452.812 4.769 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC001359969621 1064745307 /nfs/dbraw/zinc/74/53/07/1064745307.db2.gz NPNFFHVXNYBZEM-UHFFFAOYSA-N 0 0 457.397 4.865 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)CCCCCC1 ZINC001435413945 1064745394 /nfs/dbraw/zinc/74/53/94/1064745394.db2.gz QIYBDFGKSKLJPS-HXUWFJFHSA-N 0 0 454.611 4.812 20 0 JJADRN CCO[C@H](CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC001435414674 1064745890 /nfs/dbraw/zinc/74/58/90/1064745890.db2.gz ZBKBKPDLUUNLJU-QHAWAJNXSA-N 0 0 453.023 4.858 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)n1 ZINC001435414802 1064746023 /nfs/dbraw/zinc/74/60/23/1064746023.db2.gz HDZRNWLTYBIPAX-UHFFFAOYSA-N 0 0 458.541 4.779 20 0 JJADRN CCCCOCCN(C(=O)c1c(C)coc1CC(=O)OC)c1cccc(Br)c1 ZINC001435416044 1064746591 /nfs/dbraw/zinc/74/65/91/1064746591.db2.gz NOZXVKSGWYKBKN-UHFFFAOYSA-N 0 0 452.345 4.530 20 0 JJADRN CC(C)CCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001359970316 1064746708 /nfs/dbraw/zinc/74/67/08/1064746708.db2.gz NGPFUCHYDLRXHD-YADARESESA-N 0 0 495.089 4.671 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359971176 1064747446 /nfs/dbraw/zinc/74/74/46/1064747446.db2.gz OWNZHXTXIDDHNT-UHFFFAOYSA-N 0 0 474.451 4.848 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359971094 1064747551 /nfs/dbraw/zinc/74/75/51/1064747551.db2.gz MTYXUNXEGAZMJC-QZTJIDSGSA-N 0 0 463.598 4.810 20 0 JJADRN C[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC1)Oc1ccccc1Br ZINC001435417446 1064747527 /nfs/dbraw/zinc/74/75/27/1064747527.db2.gz RLOLCELRGBFVTC-ZDUSSCGKSA-N 0 0 453.174 4.827 20 0 JJADRN CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCCCCC1 ZINC001359971138 1064747720 /nfs/dbraw/zinc/74/77/20/1064747720.db2.gz NQOMPFAYBDNRTJ-IBGZPJMESA-N 0 0 462.038 4.956 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359971185 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20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001359973172 1064750512 /nfs/dbraw/zinc/75/05/12/1064750512.db2.gz ZNAZVKYSENESHM-HXUWFJFHSA-N 0 0 454.514 4.592 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001359973394 1064751037 /nfs/dbraw/zinc/75/10/37/1064751037.db2.gz QUKQMQPDSSCTGT-GGAORHGYSA-N 0 0 487.714 4.539 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)Cc4cccs4)c(=O)c23)cc1 ZINC001435426790 1064751702 /nfs/dbraw/zinc/75/17/02/1064751702.db2.gz PZKHBFPRJPJJNB-QGZVFWFLSA-N 0 0 451.617 4.975 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(C)C ZINC001435428694 1064752246 /nfs/dbraw/zinc/75/22/46/1064752246.db2.gz LZWMQVJOBVJKRJ-QWHCGFSZSA-N 0 0 453.723 4.797 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001435431090 1064752632 /nfs/dbraw/zinc/75/26/32/1064752632.db2.gz DGFAKNRSOAXOST-CYBMUJFWSA-N 0 0 456.411 4.733 20 0 JJADRN CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@]1(C)CCCS1 ZINC001359976190 1064752580 /nfs/dbraw/zinc/75/25/80/1064752580.db2.gz KAFZGJIIHRQIGF-XMMPIXPASA-N 0 0 454.644 4.614 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001435431155 1064752749 /nfs/dbraw/zinc/75/27/49/1064752749.db2.gz FAYANQSRJDDASE-UHFFFAOYSA-N 0 0 458.249 4.670 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Nc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2 ZINC001435431252 1064752777 /nfs/dbraw/zinc/75/27/77/1064752777.db2.gz WJZYJXWCZWHGSG-UHFFFAOYSA-N 0 0 450.438 4.892 20 0 JJADRN Cc1c(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cnn1-c1ccccc1F ZINC001435431459 1064753145 /nfs/dbraw/zinc/75/31/45/1064753145.db2.gz JZMOZXMKYJSHEW-UHFFFAOYSA-N 0 0 454.458 4.648 20 0 JJADRN COCCCOc1ccc(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC001359977258 1064753790 /nfs/dbraw/zinc/75/37/90/1064753790.db2.gz MIOUKXBBBIDSCC-UHFFFAOYSA-N 0 0 452.473 4.981 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359978271 1064753993 /nfs/dbraw/zinc/75/39/93/1064753993.db2.gz SXGXSDWJOWEANR-UHFFFAOYSA-N 0 0 494.587 4.530 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCC(F)(F)F ZINC001359977984 1064754102 /nfs/dbraw/zinc/75/41/02/1064754102.db2.gz OFULDODFYDIKCO-MRXNPFEDSA-N 0 0 479.613 4.780 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c1C ZINC001359977947 1064754138 /nfs/dbraw/zinc/75/41/38/1064754138.db2.gz XIYFMRLEYTZHTR-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN COc1cc(C(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)sc1Br ZINC001435432399 1064754190 /nfs/dbraw/zinc/75/41/90/1064754190.db2.gz XUWXQBPYGBHXLB-UHFFFAOYSA-N 0 0 458.384 4.783 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)c1ccccc1 ZINC001359978386 1064754476 /nfs/dbraw/zinc/75/44/76/1064754476.db2.gz WOAPNYXBEPKFBN-UHFFFAOYSA-N 0 0 470.662 4.621 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(F)c(F)c1 ZINC001359978410 1064754491 /nfs/dbraw/zinc/75/44/91/1064754491.db2.gz XIMUPVCVBDTQJX-UHFFFAOYSA-N 0 0 463.573 4.811 20 0 JJADRN CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC)cc1 ZINC001359978790 1064754521 /nfs/dbraw/zinc/75/45/21/1064754521.db2.gz JYJDPAORVLBQCE-UTKZUKDTSA-N 0 0 459.384 4.858 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCc3ccc([S@@](C)=O)cc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001435433875 1064755117 /nfs/dbraw/zinc/75/51/17/1064755117.db2.gz CVTUWKMUFXIQAB-JGCGQSQUSA-N 0 0 450.564 4.556 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359979415 1064755143 /nfs/dbraw/zinc/75/51/43/1064755143.db2.gz FQCIQOHQESCFJP-UGKGYDQZSA-N 0 0 485.629 4.530 20 0 JJADRN COc1cccc([C@@H](NC(=O)Cc2ccc3c(c2)OC(F)(F)O3)c2cc(F)ccc2OC)c1 ZINC001435433748 1064755179 /nfs/dbraw/zinc/75/51/79/1064755179.db2.gz JCXODWSRENHCDE-HSZRJFAPSA-N 0 0 459.420 4.613 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001435434198 1064755235 /nfs/dbraw/zinc/75/52/35/1064755235.db2.gz LKXHEMMKVBARDZ-IBGZPJMESA-N 0 0 453.004 4.506 20 0 JJADRN Cc1cccc(C(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)c2cccc(C)c2)c1 ZINC001435434232 1064755282 /nfs/dbraw/zinc/75/52/82/1064755282.db2.gz LCQPCRWWZPGTOX-UHFFFAOYSA-N 0 0 451.452 4.817 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001435433594 1064755304 /nfs/dbraw/zinc/75/53/04/1064755304.db2.gz HLFLCQMZIRSXTI-URXFXBBRSA-N 0 0 451.611 4.694 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001435436324 1064756058 /nfs/dbraw/zinc/75/60/58/1064756058.db2.gz ODPYDLRKVGUZDI-CTNGQTDRSA-N 0 0 450.501 4.742 20 0 JJADRN CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359980878 1064756143 /nfs/dbraw/zinc/75/61/43/1064756143.db2.gz LFIJZZKMVWOBOU-UHFFFAOYSA-N 0 0 472.515 4.866 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001359981104 1064756604 /nfs/dbraw/zinc/75/66/04/1064756604.db2.gz QTKVWOMZWSIHRV-DHIUTWEWSA-N 0 0 453.970 4.886 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981125 1064756692 /nfs/dbraw/zinc/75/66/92/1064756692.db2.gz QXBJLJDASYPGLZ-UZLBHIALSA-N 0 0 451.394 4.729 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)c2cc(F)ccc2OC)c1 ZINC001435438487 1064757607 /nfs/dbraw/zinc/75/76/07/1064757607.db2.gz VZMBHYCGFBBFMJ-XCLFUZPHSA-N 0 0 451.420 4.525 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1-c1cnn(C)c1)C(C)C ZINC001359982518 1064757695 /nfs/dbraw/zinc/75/76/95/1064757695.db2.gz BBNQAACHEMPVLC-HHHXNRCGSA-N 0 0 480.657 4.638 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359982932 1064758818 /nfs/dbraw/zinc/75/88/18/1064758818.db2.gz OZLZEHCZTXGILG-FGZHOGPDSA-N 0 0 470.662 4.867 20 0 JJADRN COC(=O)CC1(NC(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CCC1 ZINC001435442242 1064759071 /nfs/dbraw/zinc/75/90/71/1064759071.db2.gz FDFXYYUUELWLQJ-QGOAFFKASA-N 0 0 450.560 4.838 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001435442241 1064759112 /nfs/dbraw/zinc/75/91/12/1064759112.db2.gz SPLXGXRLGKSVPQ-GJZUVCINSA-N 0 0 454.567 4.756 20 0 JJADRN COC(=O)CC1(NC(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CCC1 ZINC001435442236 1064759192 /nfs/dbraw/zinc/75/91/92/1064759192.db2.gz FDFXYYUUELWLQJ-AQTBWJFISA-N 0 0 450.560 4.838 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001435443363 1064759820 /nfs/dbraw/zinc/75/98/20/1064759820.db2.gz LIOTUYINYQPOBC-OLZOCXBDSA-N 0 0 451.752 4.600 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001435443359 1064759837 /nfs/dbraw/zinc/75/98/37/1064759837.db2.gz LIOTUYINYQPOBC-CHWSQXEVSA-N 0 0 451.752 4.600 20 0 JJADRN CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)c2)CC1 ZINC001435442957 1064759899 /nfs/dbraw/zinc/75/98/99/1064759899.db2.gz NJXONTLAZZLFOD-UHFFFAOYSA-N 0 0 459.590 4.813 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359983234 1064759795 /nfs/dbraw/zinc/75/97/95/1064759795.db2.gz UWDVYHLZZSXGEH-ATLLOTDBSA-N 0 0 492.064 4.702 20 0 JJADRN CC(C)CN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CCCC1 ZINC001359983241 1064759804 /nfs/dbraw/zinc/75/98/04/1064759804.db2.gz MNSGVYMZDGYMKQ-QHCPKHFHSA-N 0 0 453.631 4.972 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001359983484 1064760531 /nfs/dbraw/zinc/76/05/31/1064760531.db2.gz ZOCIJDTYZGOQJR-DNQXCXABSA-N 0 0 481.685 4.963 20 0 JJADRN Cc1c(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)nnn1Cc1ccc(F)cc1F ZINC001435444029 1064760431 /nfs/dbraw/zinc/76/04/31/1064760431.db2.gz RYALHFGAIXXZJG-UHFFFAOYSA-N 0 0 453.493 4.684 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)c2C)cc1 ZINC001435444591 1064760747 /nfs/dbraw/zinc/76/07/47/1064760747.db2.gz CIEJBIVLKUINNT-UHFFFAOYSA-N 0 0 452.436 4.980 20 0 JJADRN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1(C)C ZINC001435444738 1064760931 /nfs/dbraw/zinc/76/09/31/1064760931.db2.gz VEOCLVJRHAHVJI-PKTZIBPZSA-N 0 0 458.624 4.568 20 0 JJADRN C[C@H](COCC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1ccccc1 ZINC001435445031 1064760946 /nfs/dbraw/zinc/76/09/46/1064760946.db2.gz FUDFGSWJYPPDGC-MRXNPFEDSA-N 0 0 452.532 4.530 20 0 JJADRN C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001435445757 1064761336 /nfs/dbraw/zinc/76/13/36/1064761336.db2.gz MGCZMILACGYCAP-ZDUSSCGKSA-N 0 0 456.930 4.996 20 0 JJADRN COc1ccccc1C(C)(C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001359984199 1064761537 /nfs/dbraw/zinc/76/15/37/1064761537.db2.gz AYZIUZVSYXQYPD-UHFFFAOYSA-N 0 0 454.368 4.797 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N2CCOCC2)CC1)C(C)C ZINC001359983743 1064761628 /nfs/dbraw/zinc/76/16/28/1064761628.db2.gz XPZYNMOQNYAUAW-FQEVSTJZSA-N 0 0 476.065 4.807 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)c2)n1 ZINC001435445993 1064761863 /nfs/dbraw/zinc/76/18/63/1064761863.db2.gz FZEISANDACKEKC-GOSISDBHSA-N 0 0 454.571 4.973 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1CC1(NC(=O)OC(C)(C)C)COC1)C(C)C ZINC001359984590 1064761920 /nfs/dbraw/zinc/76/19/20/1064761920.db2.gz AXKLRERDZITDRN-UHFFFAOYSA-N 0 0 478.037 4.763 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1c2ccccc2C[C@H]1C)C(C)C ZINC001359984546 1064762233 /nfs/dbraw/zinc/76/22/33/1064762233.db2.gz AGSSPZZMDPLGIN-AMGIVPHBSA-N 0 0 469.674 4.641 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)cc1OC ZINC001435447159 1064762397 /nfs/dbraw/zinc/76/23/97/1064762397.db2.gz SLOFHYXYFOXDFU-GOSISDBHSA-N 0 0 450.373 4.862 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2)n1 ZINC001435446908 1064762482 /nfs/dbraw/zinc/76/24/82/1064762482.db2.gz QVYZRQWCARSOAF-NRFANRHFSA-N 0 0 450.539 4.887 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001435448289 1064762960 /nfs/dbraw/zinc/76/29/60/1064762960.db2.gz UKSZFNMPBBNLEM-NTCAYCPXSA-N 0 0 450.516 4.822 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 ZINC001435449343 1064763521 /nfs/dbraw/zinc/76/35/21/1064763521.db2.gz XKDDKNOUTMLPRV-UHFFFAOYSA-N 0 0 455.967 4.724 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nc(C(F)(F)F)cs1)C(C)C ZINC001359985172 1064763813 /nfs/dbraw/zinc/76/38/13/1064763813.db2.gz IRSWNHURGUNDCA-OAQYLSRUSA-N 0 0 489.608 4.908 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CCC1)C(C)C ZINC001359985207 1064763947 /nfs/dbraw/zinc/76/39/47/1064763947.db2.gz JFHQDASEWPWCSG-UHFFFAOYSA-N 0 0 483.476 4.546 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(C)(=O)=O)C1CCCC1 ZINC001359985518 1064764367 /nfs/dbraw/zinc/76/43/67/1064764367.db2.gz MVYKKVSZJDLGCZ-QGZVFWFLSA-N 0 0 464.701 4.581 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC(C)C)C1CCCC1 ZINC001359985520 1064764379 /nfs/dbraw/zinc/76/43/79/1064764379.db2.gz MXHVUVHWPHYYQL-UHFFFAOYSA-N 0 0 462.436 4.637 20 0 JJADRN CCn1c(SCC(=O)N2CCOc3ccc(C(F)(F)F)cc32)nnc1-c1cccs1 ZINC001435451586 1064764709 /nfs/dbraw/zinc/76/47/09/1064764709.db2.gz XAQBBNJAYDPXLT-UHFFFAOYSA-N 0 0 454.499 4.563 20 0 JJADRN CC(C)c1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC001435450849 1064764760 /nfs/dbraw/zinc/76/47/60/1064764760.db2.gz NLOGLTXIZOITHS-UHFFFAOYSA-N 0 0 452.576 4.502 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccs1)C1CCCC1 ZINC001359985591 1064764833 /nfs/dbraw/zinc/76/48/33/1064764833.db2.gz NTFALGXZDWRABZ-UHFFFAOYSA-N 0 0 458.653 4.863 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC(F)F)c3cccc(Cl)c3)cc2)C1 ZINC001435453705 1064765025 /nfs/dbraw/zinc/76/50/25/1064765025.db2.gz LODFZRAAWGCMBJ-HNNXBMFYSA-N 0 0 456.942 4.673 20 0 JJADRN O=C(Nc1c(Cl)ncnc1-n1cccn1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001435452662 1064765232 /nfs/dbraw/zinc/76/52/32/1064765232.db2.gz ZFAAQJYKPQDGIS-UHFFFAOYSA-N 0 0 451.726 4.998 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC001435451859 1064765247 /nfs/dbraw/zinc/76/52/47/1064765247.db2.gz JCLUSHJEZWJILJ-UHFFFAOYSA-N 0 0 457.423 4.773 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1cccnc1)C(C)C)C(C)C ZINC001359985859 1064765234 /nfs/dbraw/zinc/76/52/34/1064765234.db2.gz RUZJWDKGSCEFHO-XMMPIXPASA-N 0 0 473.629 4.626 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NC(C)C)C1CCCC1 ZINC001359985958 1064765267 /nfs/dbraw/zinc/76/52/67/1064765267.db2.gz SQQWHSNZVDCCTA-UHFFFAOYSA-N 0 0 480.426 4.776 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(CC(F)F)c2cccc(Cl)c2)cc1 ZINC001435454188 1064765645 /nfs/dbraw/zinc/76/56/45/1064765645.db2.gz PHEHCMREEGLQSP-UHFFFAOYSA-N 0 0 452.914 4.628 20 0 JJADRN CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435453928 1064765728 /nfs/dbraw/zinc/76/57/28/1064765728.db2.gz BDVPMOHCBFLXPF-RTWAWAEBSA-N 0 0 459.428 4.784 20 0 JJADRN O=C(CCSc1ccccc1Br)OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC001435454212 1064765802 /nfs/dbraw/zinc/76/58/02/1064765802.db2.gz FQOTVNMKRHLREE-UHFFFAOYSA-N 0 0 452.761 4.909 20 0 JJADRN CCC1(CC)CN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccc(Br)cc21 ZINC001435453816 1064765890 /nfs/dbraw/zinc/76/58/90/1064765890.db2.gz ACLKLQXYTNTVJJ-UHFFFAOYSA-N 0 0 455.352 4.821 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2Cl)n1CCC(=O)N(C)C)C(C)C ZINC001359986002 1064765843 /nfs/dbraw/zinc/76/58/43/1064765843.db2.gz UTDZAVCHWLAVQV-UHFFFAOYSA-N 0 0 470.843 4.710 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCOC[C@H]1C)C(C)C ZINC001359986072 1064766673 /nfs/dbraw/zinc/76/66/73/1064766673.db2.gz XTNNUKLQUGOPTK-VQTJNVASSA-N 0 0 459.704 4.723 20 0 JJADRN CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435457056 1064767961 /nfs/dbraw/zinc/76/79/61/1064767961.db2.gz WBFZEFHDORFBKO-AZGAKELHSA-N 0 0 450.623 4.611 20 0 JJADRN CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)C(C)C)C1CCCC1 ZINC001359987916 1064768618 /nfs/dbraw/zinc/76/86/18/1064768618.db2.gz YNJRASTXGYGRLL-SANMLTNESA-N 0 0 450.631 4.943 20 0 JJADRN C[C@@H](OC(=O)c1ccc(F)cc1I)c1c(F)cccc1-n1cccn1 ZINC001435459418 1064768977 /nfs/dbraw/zinc/76/89/77/1064768977.db2.gz KKCPQPQEZUJAEN-LLVKDONJSA-N 0 0 454.214 4.673 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)cc1 ZINC001435459699 1064769450 /nfs/dbraw/zinc/76/94/50/1064769450.db2.gz NTQFRVSJIKTGKB-MUCWFSNYSA-N 0 0 454.533 4.774 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3-n3cccc3)cc2)CC1 ZINC001359988728 1064769638 /nfs/dbraw/zinc/76/96/38/1064769638.db2.gz QPEDMWQHFVYOSQ-UHFFFAOYSA-N 0 0 457.983 4.804 20 0 JJADRN Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001435459911 1064769784 /nfs/dbraw/zinc/76/97/84/1064769784.db2.gz MBOAECNATHEKEI-OAQYLSRUSA-N 0 0 451.398 4.787 20 0 JJADRN Cc1ccc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(OCCC(C)C)c1 ZINC001435460594 1064770301 /nfs/dbraw/zinc/77/03/01/1064770301.db2.gz GXMIMSOQANOSEF-IBGZPJMESA-N 0 0 459.384 4.925 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)N(C)C)C1CCCC1 ZINC001359989430 1064770255 /nfs/dbraw/zinc/77/02/55/1064770255.db2.gz LPKCVZILZAINOE-FGZHOGPDSA-N 0 0 473.065 4.591 20 0 JJADRN COC(=O)c1csc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001435461048 1064770741 /nfs/dbraw/zinc/77/07/41/1064770741.db2.gz SZLNAZWUMNDMCK-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1C)C(C)C ZINC001359989522 1064770993 /nfs/dbraw/zinc/77/09/93/1064770993.db2.gz NRRPVFOSNMENMH-FDFHNCONSA-N 0 0 477.694 4.936 20 0 JJADRN CC(C)CN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)c1ccccc1)C(C)C ZINC001359990069 1064771542 /nfs/dbraw/zinc/77/15/42/1064771542.db2.gz SSTHHTBNCATCHS-QHCPKHFHSA-N 0 0 490.700 4.848 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC001359990745 1064772630 /nfs/dbraw/zinc/77/26/30/1064772630.db2.gz GXIGNPNAAYHDTJ-HSZRJFAPSA-N 0 0 450.623 4.597 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CC(F)(F)F)C1CCCC1 ZINC001359991440 1064773032 /nfs/dbraw/zinc/77/30/32/1064773032.db2.gz ZBTHXERXEKTVML-NRFANRHFSA-N 0 0 481.563 4.690 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccccn2)n1CC(C)(C)c1ccc2c(c1)OCCO2)C(C)C ZINC001359991260 1064773100 /nfs/dbraw/zinc/77/31/00/1064773100.db2.gz WYFHEGKRTXLCTG-UHFFFAOYSA-N 0 0 463.626 4.884 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)c1cccs1)C(C)C ZINC001359991458 1064773229 /nfs/dbraw/zinc/77/32/29/1064773229.db2.gz ZJUCHSCPEZCHDU-RDPSFJRHSA-N 0 0 456.612 4.631 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001435465644 1064773798 /nfs/dbraw/zinc/77/37/98/1064773798.db2.gz YWDVLHYWVKFRTR-OAHLLOKOSA-N 0 0 450.407 4.652 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)OC2(C)C)cc1 ZINC001435465882 1064773904 /nfs/dbraw/zinc/77/39/04/1064773904.db2.gz UATLHKHFOXSMQP-KKSFZXQISA-N 0 0 452.551 4.621 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435466411 1064774250 /nfs/dbraw/zinc/77/42/50/1064774250.db2.gz SAOXYSMDQUBBQY-FQEVSTJZSA-N 0 0 451.405 4.905 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 ZINC001435466845 1064774366 /nfs/dbraw/zinc/77/43/66/1064774366.db2.gz FTYZNJCOPLNIPI-HXUWFJFHSA-N 0 0 459.468 4.870 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@@](C)=O)cc1)C1CCCC1 ZINC001359992148 1064774372 /nfs/dbraw/zinc/77/43/72/1064774372.db2.gz OUAQQEDFGDAHBP-MGBGTMOVSA-N 0 0 465.667 4.596 20 0 JJADRN CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435467128 1064774941 /nfs/dbraw/zinc/77/49/41/1064774941.db2.gz BDEXGQGTNPZCTP-DEOSSOPVSA-N 0 0 454.617 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@@H]3CCC(F)(F)C3)c(Br)c2C1 ZINC001435467609 1064774990 /nfs/dbraw/zinc/77/49/90/1064774990.db2.gz JLCYYYORMJGOBN-SECBINFHSA-N 0 0 451.333 4.679 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc(C(C)(C)C)n1Cc1ncn(C)n1 ZINC001359992844 1064774975 /nfs/dbraw/zinc/77/49/75/1064774975.db2.gz GOFCMUIBHVSVGJ-UHFFFAOYSA-N 0 0 494.869 4.831 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001359992679 1064775149 /nfs/dbraw/zinc/77/51/49/1064775149.db2.gz IEMYCPKSKONCFF-MBVDDHJVSA-N 0 0 454.436 4.555 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001435467663 1064775369 /nfs/dbraw/zinc/77/53/69/1064775369.db2.gz QKJHLFKDOJFZHP-UWJYYQICSA-N 0 0 454.567 4.943 20 0 JJADRN Cc1cnn(-c2c(C(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)c(C)s3)c(C)nn2C)c1 ZINC001435469019 1064775899 /nfs/dbraw/zinc/77/58/99/1064775899.db2.gz DRLQZAMORXLLCM-CQSZACIVSA-N 0 0 454.987 4.799 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3ccccc3F)C3CCCC3)cc2)C1 ZINC001435469417 1064776049 /nfs/dbraw/zinc/77/60/49/1064776049.db2.gz DNXKACGRSPNFOU-UUOWRZLLSA-N 0 0 458.599 4.908 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC(C)(C)C)C1CCCC1 ZINC001359993094 1064776127 /nfs/dbraw/zinc/77/61/27/1064776127.db2.gz NDDQVCJQTPNMOY-UHFFFAOYSA-N 0 0 459.610 4.706 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1cccc(Cl)c1)C(C)C ZINC001359993295 1064776714 /nfs/dbraw/zinc/77/67/14/1064776714.db2.gz QEWVOYOSHKLXPK-DEOSSOPVSA-N 0 0 490.073 4.702 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)NC3(c4cccc(Cl)c4)CCCC3)cc2CN1C(=O)OC(C)(C)C ZINC001435471652 1064777094 /nfs/dbraw/zinc/77/70/94/1064777094.db2.gz YVXYJKUPDBLTTE-MRXNPFEDSA-N 0 0 458.990 4.875 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1C)C(C)C ZINC001359993413 1064777208 /nfs/dbraw/zinc/77/72/08/1064777208.db2.gz UJWCYRUJWYJFGC-HBMCJLEFSA-N 0 0 463.667 4.894 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1 ZINC001435472101 1064777399 /nfs/dbraw/zinc/77/73/99/1064777399.db2.gz BAGCTELSABZTES-GOEBONIOSA-N 0 0 450.348 4.625 20 0 JJADRN Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC001435472474 1064777603 /nfs/dbraw/zinc/77/76/03/1064777603.db2.gz MGMUXHHOBNGDFI-UHFFFAOYSA-N 0 0 454.523 4.963 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001359994858 1064778647 /nfs/dbraw/zinc/77/86/47/1064778647.db2.gz JACJZSKTAIELCS-RBUKOAKNSA-N 0 0 459.610 4.592 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001359994844 1064778724 /nfs/dbraw/zinc/77/87/24/1064778724.db2.gz ILRBEPVUPWHSHJ-HXUWFJFHSA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001359994939 1064778782 /nfs/dbraw/zinc/77/87/82/1064778782.db2.gz MQAOLDQAZJMFQS-UHFFFAOYSA-N 0 0 474.447 4.593 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001359995039 1064779044 /nfs/dbraw/zinc/77/90/44/1064779044.db2.gz RIOZRFOYZLWZHC-QGZVFWFLSA-N 0 0 458.404 4.607 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359995024 1064779057 /nfs/dbraw/zinc/77/90/57/1064779057.db2.gz QKSOISMOYXXEAH-WMZOPIPTSA-N 0 0 464.010 4.831 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c2c1CCC2 ZINC001435475300 1064779072 /nfs/dbraw/zinc/77/90/72/1064779072.db2.gz ZVCZBGZGRBHCPL-OAHLLOKOSA-N 0 0 456.359 4.932 20 0 JJADRN CC(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001359995079 1064779277 /nfs/dbraw/zinc/77/92/77/1064779277.db2.gz UTNGNCRMSCNRBO-UHFFFAOYSA-N 0 0 473.400 4.710 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001359995093 1064779686 /nfs/dbraw/zinc/77/96/86/1064779686.db2.gz VHKOQVSFAYZVBE-ZDUSSCGKSA-N 0 0 485.963 4.974 20 0 JJADRN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001359995360 1064780592 /nfs/dbraw/zinc/78/05/92/1064780592.db2.gz LWHJVTMUVDMSPO-OAQYLSRUSA-N 0 0 464.557 4.757 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)o1 ZINC001435477861 1064780825 /nfs/dbraw/zinc/78/08/25/1064780825.db2.gz RAXMGWRZFNXAGI-LJQANCHMSA-N 0 0 451.519 4.521 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001359995424 1064780826 /nfs/dbraw/zinc/78/08/26/1064780826.db2.gz QGMAZACAPGQDTM-UHFFFAOYSA-N 0 0 466.474 4.809 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c1 ZINC001435478649 1064781057 /nfs/dbraw/zinc/78/10/57/1064781057.db2.gz JYRJAQWIAJIDKQ-CQSZACIVSA-N 0 0 453.486 4.533 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccs2)CC1 ZINC001359995576 1064781081 /nfs/dbraw/zinc/78/10/81/1064781081.db2.gz ZHPXQLITNBIGRE-UHFFFAOYSA-N 0 0 452.447 4.813 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)c1 ZINC001435479087 1064781564 /nfs/dbraw/zinc/78/15/64/1064781564.db2.gz SYJHUEHEFKIBGW-NSHDSACASA-N 0 0 451.322 4.801 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001359996291 1064781632 /nfs/dbraw/zinc/78/16/32/1064781632.db2.gz PYQMEFOAXBLWDO-OAHLLOKOSA-N 0 0 456.420 4.563 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)CCCc2ccc(Br)s2)c1 ZINC001435479362 1064781753 /nfs/dbraw/zinc/78/17/53/1064781753.db2.gz XAXOYFFFDNHALC-CYBMUJFWSA-N 0 0 459.431 4.549 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001435480865 1064782107 /nfs/dbraw/zinc/78/21/07/1064782107.db2.gz GMPYFIBLWYTEPN-UHFFFAOYSA-N 0 0 453.833 4.847 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001435480814 1064782339 /nfs/dbraw/zinc/78/23/39/1064782339.db2.gz PCGIUEAUXXXMHT-GTPINHCMSA-N 0 0 458.462 4.828 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001435480816 1064782373 /nfs/dbraw/zinc/78/23/73/1064782373.db2.gz PCGIUEAUXXXMHT-KLAILNCOSA-N 0 0 458.462 4.828 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001359996806 1064782287 /nfs/dbraw/zinc/78/22/87/1064782287.db2.gz CYGGCVQIQNQOAG-PTUXOGIPSA-N 0 0 459.631 4.882 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1 ZINC001359996951 1064782311 /nfs/dbraw/zinc/78/23/11/1064782311.db2.gz HKDZNBWKBYPTMX-QGZVFWFLSA-N 0 0 451.592 4.702 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1F ZINC001435482174 1064782643 /nfs/dbraw/zinc/78/26/43/1064782643.db2.gz QIYIPMRHBYFGPX-CYBMUJFWSA-N 0 0 455.313 4.641 20 0 JJADRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1OCc1ccccc1Cl ZINC001435482084 1064782656 /nfs/dbraw/zinc/78/26/56/1064782656.db2.gz GTHZWMWKAVNLPE-FQEVSTJZSA-N 0 0 456.876 4.733 20 0 JJADRN C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435481634 1064782711 /nfs/dbraw/zinc/78/27/11/1064782711.db2.gz ADAYVKFNWWFMOA-CYBMUJFWSA-N 0 0 455.381 4.879 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1F ZINC001435482175 1064782743 /nfs/dbraw/zinc/78/27/43/1064782743.db2.gz QIYIPMRHBYFGPX-ZDUSSCGKSA-N 0 0 455.313 4.641 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001435482406 1064783450 /nfs/dbraw/zinc/78/34/50/1064783450.db2.gz NFKSAVFGCYNVDE-UHFFFAOYSA-N 0 0 451.792 4.606 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001359997754 1064783331 /nfs/dbraw/zinc/78/33/31/1064783331.db2.gz WMHQYEARKZYNAW-MRXNPFEDSA-N 0 0 494.453 4.881 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001359997714 1064783561 /nfs/dbraw/zinc/78/35/61/1064783561.db2.gz SEUJMYDXTHJTPV-UHFFFAOYSA-N 0 0 477.028 4.994 20 0 JJADRN COc1ccc(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c(C)c1 ZINC001435483553 1064783671 /nfs/dbraw/zinc/78/36/71/1064783671.db2.gz OIZDQGHVFJXFKD-UHFFFAOYSA-N 0 0 459.255 4.840 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Br)c(F)c2C)c1C ZINC001359998247 1064783810 /nfs/dbraw/zinc/78/38/10/1064783810.db2.gz DUJAVDPCVIDKNM-QGZVFWFLSA-N 0 0 451.361 4.667 20 0 JJADRN CC(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359998246 1064783920 /nfs/dbraw/zinc/78/39/20/1064783920.db2.gz YENZTDQQFGONSL-MSOLQXFVSA-N 0 0 452.603 4.822 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001435484432 1064784302 /nfs/dbraw/zinc/78/43/02/1064784302.db2.gz QUYHZHNEOCUYKH-UHFFFAOYSA-N 0 0 458.389 4.937 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)c1C ZINC001359998481 1064784449 /nfs/dbraw/zinc/78/44/49/1064784449.db2.gz JFWHILZVYLVERG-LJQANCHMSA-N 0 0 451.514 4.542 20 0 JJADRN CSc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)ccc1Br ZINC001359998978 1064785397 /nfs/dbraw/zinc/78/53/97/1064785397.db2.gz OAHVJRCUDQJUHQ-MRXNPFEDSA-N 0 0 451.411 4.633 20 0 JJADRN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC001359999040 1064785492 /nfs/dbraw/zinc/78/54/92/1064785492.db2.gz PFNZNJDTTFRFHP-IBGZPJMESA-N 0 0 459.340 4.895 20 0 JJADRN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001359999215 1064785577 /nfs/dbraw/zinc/78/55/77/1064785577.db2.gz ROBWKVFLGZDIRE-SFHVURJKSA-N 0 0 450.322 4.835 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC001359999876 1064786070 /nfs/dbraw/zinc/78/60/70/1064786070.db2.gz ZFAVDFSMNNEQQH-MSOLQXFVSA-N 0 0 451.361 4.622 20 0 JJADRN CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1Cl ZINC001360000158 1064786389 /nfs/dbraw/zinc/78/63/89/1064786389.db2.gz BBBMFATZUIKCRS-IBGZPJMESA-N 0 0 464.010 4.532 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC001359999877 1064786398 /nfs/dbraw/zinc/78/63/98/1064786398.db2.gz ZFAVDFSMNNEQQH-QZTJIDSGSA-N 0 0 451.361 4.622 20 0 JJADRN CSc1ncc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)n1-c1ccccc1 ZINC001435490250 1064787021 /nfs/dbraw/zinc/78/70/21/1064787021.db2.gz VWIHIIGEHAQRCZ-UHFFFAOYSA-N 0 0 452.580 4.914 20 0 JJADRN CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001360001435 1064787570 /nfs/dbraw/zinc/78/75/70/1064787570.db2.gz OPKORRDMOIILTA-UHFFFAOYSA-N 0 0 484.446 4.507 20 0 JJADRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](CC(N)=O)c1ccccc1Cl ZINC001435492060 1064787549 /nfs/dbraw/zinc/78/75/49/1064787549.db2.gz VIGSLLVNNWJPFJ-QHCPKHFHSA-N 0 0 458.949 4.848 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H](CC(N)=O)c1ccccc1Cl ZINC001435493457 1064787995 /nfs/dbraw/zinc/78/79/95/1064787995.db2.gz QNTHHUGVNMLFDH-INIZCTEOSA-N 0 0 452.725 4.957 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1 ZINC001360002212 1064787997 /nfs/dbraw/zinc/78/79/97/1064787997.db2.gz GZCDNASFSFYQBR-LJQANCHMSA-N 0 0 459.543 4.635 20 0 JJADRN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)Cc1csc2ccc(Br)cc12 ZINC001435494053 1064788019 /nfs/dbraw/zinc/78/80/19/1064788019.db2.gz SQTYGVFAFAGJNP-UHFFFAOYSA-N 0 0 456.358 4.529 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1 ZINC001435493557 1064788035 /nfs/dbraw/zinc/78/80/35/1064788035.db2.gz YTNCCJSAVYUSLI-UHFFFAOYSA-N 0 0 450.438 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(C)c(OC)c1 ZINC001545891435 1064788442 /nfs/dbraw/zinc/78/84/42/1064788442.db2.gz AJAPGFJPSIMEBT-LEWJYISDSA-N 0 0 453.631 4.578 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001435494852 1064788891 /nfs/dbraw/zinc/78/88/91/1064788891.db2.gz OOJVBOVFBYPPPL-LBPRGKRZSA-N 0 0 453.377 4.952 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 ZINC001360002645 1064789004 /nfs/dbraw/zinc/78/90/04/1064789004.db2.gz NCGHCROUKXFKCW-WCQYABFASA-N 0 0 450.655 4.928 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC001435495321 1064789007 /nfs/dbraw/zinc/78/90/07/1064789007.db2.gz LXKOBTWEUUNNJB-CQSZACIVSA-N 0 0 458.312 4.584 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360002765 1064789205 /nfs/dbraw/zinc/78/92/05/1064789205.db2.gz ONOWTLGCSABJGP-UHFFFAOYSA-N 0 0 451.523 4.905 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360003475 1064789726 /nfs/dbraw/zinc/78/97/26/1064789726.db2.gz YNKMAFUAKKYZPR-AWEZNQCLSA-N 0 0 450.329 4.847 20 0 JJADRN CCC(CC)(CNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001360004208 1064790077 /nfs/dbraw/zinc/79/00/77/1064790077.db2.gz HQECEAWOWIZJON-XXBNENTESA-N 0 0 453.023 4.929 20 0 JJADRN 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DMYPQTHDDHBVAZ-RBUKOAKNSA-N 0 0 485.629 4.555 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](c3ccccc3)C(F)(F)F)cc2)C1 ZINC001435531830 1064813150 /nfs/dbraw/zinc/81/31/50/1064813150.db2.gz KAFDPWNYGXVHEF-FTRWYGJKSA-N 0 0 455.498 4.814 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cc(Br)cnc3C3CC3)cc2c(OC)c1 ZINC001435533060 1064813841 /nfs/dbraw/zinc/81/38/41/1064813841.db2.gz YTBOOVHGKQLKGJ-UHFFFAOYSA-N 0 0 458.356 4.583 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001435537085 1064816004 /nfs/dbraw/zinc/81/60/04/1064816004.db2.gz SZSYMWGMXIJRDH-OAQYLSRUSA-N 0 0 453.608 4.950 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nc3ccccc3cc2Br)c(OC(F)F)c1 ZINC001360016522 1064816137 /nfs/dbraw/zinc/81/61/37/1064816137.db2.gz SOWWERAVCAAXTM-UHFFFAOYSA-N 0 0 451.223 4.638 20 0 JJADRN C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001360016395 1064816254 /nfs/dbraw/zinc/81/62/54/1064816254.db2.gz OIRSNZALNMGIOI-GFCCVEGCSA-N 0 0 453.308 4.626 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCCC2(C)C)[C@@H](C)C1=O ZINC001360017407 1064817859 /nfs/dbraw/zinc/81/78/59/1064817859.db2.gz DSAOBKJZQUNHMP-LGGPFLRQSA-N 0 0 495.712 4.877 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC001435540631 1064818125 /nfs/dbraw/zinc/81/81/25/1064818125.db2.gz SSNYTUCWKPNIMV-VXGBXAGGSA-N 0 0 450.720 4.797 20 0 JJADRN C[C@@H](NC(=O)CCc1cncc2ccccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001435540936 1064819014 /nfs/dbraw/zinc/81/90/14/1064819014.db2.gz YGDSVGCZXXSJGI-CQSZACIVSA-N 0 0 451.324 4.857 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCC(C(F)(F)F)CC2)CC1=O ZINC001360018175 1064819525 /nfs/dbraw/zinc/81/95/25/1064819525.db2.gz MWEBDZDWJSLGMN-UHFFFAOYSA-N 0 0 498.981 4.667 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001435543161 1064819697 /nfs/dbraw/zinc/81/96/97/1064819697.db2.gz PVDYKTJHBGZRFB-DEOSSOPVSA-N 0 0 451.954 4.550 20 0 JJADRN CCSc1ccc(CC(=O)N(C)Cc2nc([C@H](C)SCC)no2)c(Br)c1 ZINC001435543228 1064819809 /nfs/dbraw/zinc/81/98/09/1064819809.db2.gz RSWKRWINVMSFRU-LBPRGKRZSA-N 0 0 458.447 4.959 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC001435543574 1064819859 /nfs/dbraw/zinc/81/98/59/1064819859.db2.gz WTOHCIDWSDOUAY-CYBMUJFWSA-N 0 0 451.955 4.502 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)ccn1 ZINC001435542325 1064819873 /nfs/dbraw/zinc/81/98/73/1064819873.db2.gz JGNFJECEFBOYCJ-NRFANRHFSA-N 0 0 452.942 4.674 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC001435544657 1064820646 /nfs/dbraw/zinc/82/06/46/1064820646.db2.gz IJRCVSLGBHXUHC-HNJRGHQBSA-N 0 0 454.571 4.730 20 0 JJADRN COC(=O)C(C)(C)CNC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 ZINC001435545762 1064821350 /nfs/dbraw/zinc/82/13/50/1064821350.db2.gz KVLMYSBVEUJBAQ-UHFFFAOYSA-N 0 0 454.379 4.690 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Sc2ccccc2)[C@@H](C)C1=O ZINC001360018982 1064821891 /nfs/dbraw/zinc/82/18/91/1064821891.db2.gz ZKFIXQDDAUCVIV-OALUTQOASA-N 0 0 499.084 4.867 20 0 JJADRN CC1(C)CCCC[C@@H]1CC(=O)Nc1ncc(Br)cc1I ZINC001435547398 1064822086 /nfs/dbraw/zinc/82/20/86/1064822086.db2.gz NEPCIIPLXZIQKK-SNVBAGLBSA-N 0 0 451.146 4.994 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC001360020004 1064822847 /nfs/dbraw/zinc/82/28/47/1064822847.db2.gz KUGUHEBKBQZNHD-HZPDHXFCSA-N 0 0 457.621 4.573 20 0 JJADRN O=C(NCc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001360020422 1064823626 /nfs/dbraw/zinc/82/36/26/1064823626.db2.gz DZAARTHSTUSJNF-UHFFFAOYSA-N 0 0 458.942 4.551 20 0 JJADRN CC[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)c1c(F)cccc1Cl ZINC001435549310 1064823944 /nfs/dbraw/zinc/82/39/44/1064823944.db2.gz FKMRNRZUCOTWCX-AUUYWEPGSA-N 0 0 456.967 4.546 20 0 JJADRN CON(C(=O)c1cc(I)cc(C)c1C)[C@H]1CCCOc2ccccc21 ZINC001435550908 1064824657 /nfs/dbraw/zinc/82/46/57/1064824657.db2.gz KHLGXQGQVGMTSB-SFHVURJKSA-N 0 0 451.304 4.826 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001435551483 1064825434 /nfs/dbraw/zinc/82/54/34/1064825434.db2.gz ZGGSHTPIVQPQDR-AOMKIAJQSA-N 0 0 458.521 4.978 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccc(F)cc1F ZINC001435551884 1064825548 /nfs/dbraw/zinc/82/55/48/1064825548.db2.gz KYDHWRLGFNHJAK-ROUUACIJSA-N 0 0 452.295 4.712 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)CC1=O ZINC001435552622 1064826237 /nfs/dbraw/zinc/82/62/37/1064826237.db2.gz OOZFMYMRQRDYAR-RBBKRZOGSA-N 0 0 452.595 4.876 20 0 JJADRN CCn1c(SCC(=O)N2CCc3ccc(Br)cc32)nnc1-c1cccc(C)c1 ZINC001360023396 1064826878 /nfs/dbraw/zinc/82/68/78/1064826878.db2.gz RQSLLZXIMXFXHS-UHFFFAOYSA-N 0 0 457.397 4.717 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(OCCCC(=O)OC)cc2)c2c(CC(C)(C)C)noc2n1 ZINC001360022773 1064826891 /nfs/dbraw/zinc/82/68/91/1064826891.db2.gz DTPMTNUPUOMTQM-UHFFFAOYSA-N 0 0 453.539 4.958 20 0 JJADRN Cn1cc(-c2cncc(C(=O)N(Cc3cccc(C(F)(F)F)c3)Cc3ccccn3)c2)cn1 ZINC001435553623 1064826985 /nfs/dbraw/zinc/82/69/85/1064826985.db2.gz WGQUJFDRXRRGDK-UHFFFAOYSA-N 0 0 451.452 4.739 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](C)C1=O ZINC001360024480 1064827592 /nfs/dbraw/zinc/82/75/92/1064827592.db2.gz JMRRYUVZOROIOI-FUMNGEBKSA-N 0 0 485.595 4.582 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001435554561 1064827667 /nfs/dbraw/zinc/82/76/67/1064827667.db2.gz GAOHKMNIHLZMCA-LJQANCHMSA-N 0 0 457.640 4.844 20 0 JJADRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1c(Cl)ccc(I)c1F ZINC001435554802 1064827685 /nfs/dbraw/zinc/82/76/85/1064827685.db2.gz LIDZMKKUZUFKFF-LLVKDONJSA-N 0 0 451.707 4.695 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCc2nc(C(C)(C)C)cs2)[C@@H](C)C1=O ZINC001360027383 1064829129 /nfs/dbraw/zinc/82/91/29/1064829129.db2.gz MEUBCACYLLVXTP-SFHVURJKSA-N 0 0 474.719 4.557 20 0 JJADRN O=C(Cc1ccc(F)c(Br)c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001435558009 1064829724 /nfs/dbraw/zinc/82/97/24/1064829724.db2.gz QKPBFZZDUPPCLG-UHFFFAOYSA-N 0 0 459.290 4.839 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001435557415 1064829739 /nfs/dbraw/zinc/82/97/39/1064829739.db2.gz PJJOOHUMDUHRHN-OAQYLSRUSA-N 0 0 453.336 4.514 20 0 JJADRN COC[C@@]1(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)CCCCN1C(=O)OC(C)(C)C ZINC001435558898 1064831447 /nfs/dbraw/zinc/83/14/47/1064831447.db2.gz RQBXOIMFBARBHY-XMMPIXPASA-N 0 0 453.023 4.831 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CC2CCC(F)(F)CC2)[C@@H](C)C1=O ZINC001360030126 1064832044 /nfs/dbraw/zinc/83/20/44/1064832044.db2.gz DPMROLGGMRNANX-SFHVURJKSA-N 0 0 477.575 4.527 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](C)C2)[C@@H](C)C1=O ZINC001360029882 1064832100 /nfs/dbraw/zinc/83/21/00/1064832100.db2.gz BBHYLLHLAXNHRW-IRFCIJBXSA-N 0 0 458.050 4.652 20 0 JJADRN Cc1cccc(N2N=C(C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)CCC2=O)c1 ZINC001435560697 1064832784 /nfs/dbraw/zinc/83/27/84/1064832784.db2.gz SDQCLKXXJFGMFI-UHFFFAOYSA-N 0 0 456.276 4.702 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001435561175 1064832928 /nfs/dbraw/zinc/83/29/28/1064832928.db2.gz CDQLBXFQBLUAHU-STMXVASLSA-N 0 0 453.173 4.846 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001435561702 1064833711 /nfs/dbraw/zinc/83/37/11/1064833711.db2.gz FXKPLSLFMPHWSF-FQEVSTJZSA-N 0 0 452.448 4.984 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccnn3-c3cc(C)ccn3)c2)cc1 ZINC001435562709 1064834346 /nfs/dbraw/zinc/83/43/46/1064834346.db2.gz QIKHZRYZBKUKLY-UHFFFAOYSA-N 0 0 454.530 4.929 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001435563090 1064834614 /nfs/dbraw/zinc/83/46/14/1064834614.db2.gz LQBARDGIRGCMCO-JOCHJYFZSA-N 0 0 458.389 4.760 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cc(Cl)ccc2Br)c1 ZINC001360032877 1064835244 /nfs/dbraw/zinc/83/52/44/1064835244.db2.gz LJSBTDWPFGXZRN-UHFFFAOYSA-N 0 0 458.805 4.997 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)cc2)c1 ZINC001435563364 1064835239 /nfs/dbraw/zinc/83/52/39/1064835239.db2.gz BKYFGJBGGSIMGA-PKTZIBPZSA-N 0 0 455.602 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC001435563547 1064835299 /nfs/dbraw/zinc/83/52/99/1064835299.db2.gz NLIOGCJNQIMCRT-CABCVRRESA-N 0 0 454.411 4.828 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc(OC)cc1OC ZINC001435565679 1064836837 /nfs/dbraw/zinc/83/68/37/1064836837.db2.gz YBDWHMQPEQFWCX-MRXNPFEDSA-N 0 0 458.363 4.523 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2Cl)[C@H](C)C1=O ZINC001360033824 1064837162 /nfs/dbraw/zinc/83/71/62/1064837162.db2.gz LROGJUBIJXNHLO-SYYKKAFVSA-N 0 0 488.076 4.592 20 0 JJADRN Cc1nc(CCC(=O)NCCSCC(F)(F)F)oc1-c1ccc(Br)cc1 ZINC001435566636 1064838042 /nfs/dbraw/zinc/83/80/42/1064838042.db2.gz OVRTYJNXYYFUQI-UHFFFAOYSA-N 0 0 451.308 4.757 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)[C@H](C)C1=O ZINC001360035015 1064840315 /nfs/dbraw/zinc/84/03/15/1064840315.db2.gz ZZEJUMYYYJASJD-MOPGFXCFSA-N 0 0 493.574 4.515 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 ZINC001435571277 1064840564 /nfs/dbraw/zinc/84/05/64/1064840564.db2.gz HDQZOMLQIQAACH-LJQANCHMSA-N 0 0 458.599 4.585 20 0 JJADRN CC(=O)N1CC[C@H](NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c2ccccc21 ZINC001435572552 1064842005 /nfs/dbraw/zinc/84/20/05/1064842005.db2.gz AEGUQECALLBDEV-INIZCTEOSA-N 0 0 459.237 4.835 20 0 JJADRN CCc1onc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001435572921 1064842143 /nfs/dbraw/zinc/84/21/43/1064842143.db2.gz JSUDSNSAWPTDGY-UHFFFAOYSA-N 0 0 459.955 4.593 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2OCC)c1 ZINC001435573096 1064842772 /nfs/dbraw/zinc/84/27/72/1064842772.db2.gz NPTQQDRKUCIJHG-UHFFFAOYSA-N 0 0 455.532 4.528 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1F ZINC001435574792 1064843448 /nfs/dbraw/zinc/84/34/48/1064843448.db2.gz PRLQDVLZAMQRBL-HXUWFJFHSA-N 0 0 452.511 4.524 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21)C(=O)N1CCCC1 ZINC001435575059 1064843467 /nfs/dbraw/zinc/84/34/67/1064843467.db2.gz XIRCHETUSJTSGH-MOPGFXCFSA-N 0 0 451.636 4.770 20 0 JJADRN CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001435574210 1064843488 /nfs/dbraw/zinc/84/34/88/1064843488.db2.gz NZWJISQOGZNGGR-UHFFFAOYSA-N 0 0 454.951 4.693 20 0 JJADRN CC[C@@]1(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435575963 1064844123 /nfs/dbraw/zinc/84/41/23/1064844123.db2.gz ZPUCUOCYXPTUQC-AREMUKBSSA-N 0 0 451.567 4.592 20 0 JJADRN CC(=O)N1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc21 ZINC001435575568 1064844389 /nfs/dbraw/zinc/84/43/89/1064844389.db2.gz RIBABFOPIRREKS-FQEVSTJZSA-N 0 0 455.967 4.532 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)C1 ZINC001360036831 1064845145 /nfs/dbraw/zinc/84/51/45/1064845145.db2.gz PCMRLDPHMQRNKW-SFHVURJKSA-N 0 0 451.548 4.547 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2ccc3scc(Br)c3c2)c(OC)c1 ZINC001360036506 1064845254 /nfs/dbraw/zinc/84/52/54/1064845254.db2.gz BYSUQOZKGKCNCU-UHFFFAOYSA-N 0 0 450.354 4.662 20 0 JJADRN CCN(C(=O)[C@H]1COc2ccccc2O1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001360037171 1064845908 /nfs/dbraw/zinc/84/59/08/1064845908.db2.gz BKKRUHLHRUCHQB-YADHBBJMSA-N 0 0 453.336 4.622 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(c1ccccc1)c1ncccc1Br ZINC001435580069 1064846332 /nfs/dbraw/zinc/84/63/32/1064846332.db2.gz NSCISXQPLLTFST-OAHLLOKOSA-N 0 0 454.299 4.701 20 0 JJADRN Cc1cc(F)ccc1-n1cc(C(=O)N(c2ccccc2)c2ncccc2Br)nn1 ZINC001435580141 1064846526 /nfs/dbraw/zinc/84/65/26/1064846526.db2.gz PKTRQCJSPXZIJR-UHFFFAOYSA-N 0 0 452.287 4.851 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)N(c1ccccc1)c1ncccc1Br ZINC001435580840 1064847127 /nfs/dbraw/zinc/84/71/27/1064847127.db2.gz YLTSRMORZCVZDG-MRXNPFEDSA-N 0 0 453.402 4.750 20 0 JJADRN CCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001360037681 1064847163 /nfs/dbraw/zinc/84/71/63/1064847163.db2.gz QIBBDCUKSKIXAI-XMMPIXPASA-N 0 0 456.995 4.709 20 0 JJADRN COc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc(Br)c1OC ZINC001435582470 1064847747 /nfs/dbraw/zinc/84/77/47/1064847747.db2.gz LIQWCSYDEGUDNM-UHFFFAOYSA-N 0 0 454.324 4.634 20 0 JJADRN CCN(C(=O)c1ccc(-n2nnnc2C)cc1F)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001360037741 1064848081 /nfs/dbraw/zinc/84/80/81/1064848081.db2.gz RXGHXVVMDVLWSL-VWLOTQADSA-N 0 0 458.541 4.880 20 0 JJADRN Cc1cccc(C)c1[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001435583460 1064848652 /nfs/dbraw/zinc/84/86/52/1064848652.db2.gz PBFULTMIISVPKE-INIZCTEOSA-N 0 0 453.963 4.801 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001360038037 1064848841 /nfs/dbraw/zinc/84/88/41/1064848841.db2.gz APNQWZYIRCJSCE-CVEARBPZSA-N 0 0 496.475 4.730 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2C[C@H]2C)CC1 ZINC001360038040 1064848954 /nfs/dbraw/zinc/84/89/54/1064848954.db2.gz APNQWZYIRCJSCE-HZPDHXFCSA-N 0 0 496.475 4.730 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2cncc3ccccc32)C1 ZINC001435584831 1064849481 /nfs/dbraw/zinc/84/94/81/1064849481.db2.gz SPLREMWDBPAKMQ-QGZVFWFLSA-N 0 0 452.352 4.797 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(C(C)(C)C)n2CCCc2cccc(F)c2)CC1 ZINC001360038273 1064849636 /nfs/dbraw/zinc/84/96/36/1064849636.db2.gz DENOTVARWQSAHE-UHFFFAOYSA-N 0 0 459.610 4.652 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001360038297 1064849924 /nfs/dbraw/zinc/84/99/24/1064849924.db2.gz DHJJPGHTJWSYPG-IBGZPJMESA-N 0 0 491.995 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 ZINC001435586057 1064850310 /nfs/dbraw/zinc/85/03/10/1064850310.db2.gz GFLCXHJPKHAWOX-IBGZPJMESA-N 0 0 450.583 4.968 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)cc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360038817 1064851370 /nfs/dbraw/zinc/85/13/70/1064851370.db2.gz AZRKQKZZWKWIBM-MHECFPHRSA-N 0 0 457.014 4.974 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360038799 1064851517 /nfs/dbraw/zinc/85/15/17/1064851517.db2.gz AIMCZMPEFAAVJD-OGWCMUGUSA-N 0 0 456.671 4.982 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(-c4ccc(F)cc4)cc3)CC2=O)cc1 ZINC001435587806 1064852193 /nfs/dbraw/zinc/85/21/93/1064852193.db2.gz LESQNOAOGHSEIJ-VGOFRKELSA-N 0 0 459.521 4.681 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC001435588171 1064853495 /nfs/dbraw/zinc/85/34/95/1064853495.db2.gz PWRIUILTBGPAIC-SCLBCKFNSA-N 0 0 454.748 4.551 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001435588739 1064853678 /nfs/dbraw/zinc/85/36/78/1064853678.db2.gz ZGKSGPDBSKTFCG-IBGZPJMESA-N 0 0 453.583 4.708 20 0 JJADRN COc1cc(CCC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc(OC)c1 ZINC001435588672 1064853761 /nfs/dbraw/zinc/85/37/61/1064853761.db2.gz YIXXEUHQDVBHIU-HXUWFJFHSA-N 0 0 455.599 4.939 20 0 JJADRN COc1cccc(/C=C(/C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)n2nnnc2C)c1 ZINC001435588256 1064853821 /nfs/dbraw/zinc/85/38/21/1064853821.db2.gz MTFDUCKXIVNTLN-WZGIJCTISA-N 0 0 457.509 4.672 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC001435588846 1064854310 /nfs/dbraw/zinc/85/43/10/1064854310.db2.gz UMGRJBUXPXVKMC-IBGZPJMESA-N 0 0 459.365 4.867 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@H]3CCCN3C(=O)c3cccc(C)c3)cc2)cc1 ZINC001435588854 1064854502 /nfs/dbraw/zinc/85/45/02/1064854502.db2.gz CCRONFYDUPRNER-AREMUKBSSA-N 0 0 458.558 4.759 20 0 JJADRN CCSCc1cc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)no1 ZINC001360040212 1064855159 /nfs/dbraw/zinc/85/51/59/1064855159.db2.gz OPJIXLJOCZOBHR-WZONZLPQSA-N 0 0 457.640 4.554 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001435590201 1064855884 /nfs/dbraw/zinc/85/58/84/1064855884.db2.gz GGDKDBKBPYVHLT-UHFFFAOYSA-N 0 0 456.949 4.662 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(Cl)cc(OC)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360040738 1064855871 /nfs/dbraw/zinc/85/58/71/1064855871.db2.gz UCLLRBGCZLYECU-UUOWRZLLSA-N 0 0 457.014 4.974 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@H](C)Cc3cc(Br)ccc3F)c3c2CCC3)cc1 ZINC001435591596 1064857200 /nfs/dbraw/zinc/85/72/00/1064857200.db2.gz GFLWZJVEFJJXAN-OAHLLOKOSA-N 0 0 456.359 4.932 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc1C(C)C ZINC001435591740 1064857565 /nfs/dbraw/zinc/85/75/65/1064857565.db2.gz QGKRMKYHNONFEA-UHFFFAOYSA-N 0 0 452.458 4.900 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3)n2C[C@]2(C)CCCS2)CC1 ZINC001360041798 1064857634 /nfs/dbraw/zinc/85/76/34/1064857634.db2.gz IYNDQIQMEJBOEE-DEOSSOPVSA-N 0 0 457.644 4.536 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3F)n2CCCCOC(C)C)CC1 ZINC001360041766 1064857879 /nfs/dbraw/zinc/85/78/79/1064857879.db2.gz IGUVZZPJUOLBRU-UHFFFAOYSA-N 0 0 475.609 4.594 20 0 JJADRN CCOC(=O)c1sc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)nc1C(C)C ZINC001435592197 1064858093 /nfs/dbraw/zinc/85/80/93/1064858093.db2.gz UOVQQZYDSKUJIG-UHFFFAOYSA-N 0 0 452.532 4.692 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC1=O ZINC001435592385 1064858159 /nfs/dbraw/zinc/85/81/59/1064858159.db2.gz ORVUYTJYCKZOLT-ZWKOTPCHSA-N 0 0 457.977 4.694 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cnn(-c2ccccc2Br)c1 ZINC001435592325 1064858170 /nfs/dbraw/zinc/85/81/70/1064858170.db2.gz JKDYIAAAMXMGAF-UHFFFAOYSA-N 0 0 453.365 4.863 20 0 JJADRN CC[C@@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001435592727 1064858927 /nfs/dbraw/zinc/85/89/27/1064858927.db2.gz KYYUCIBOOGERNW-CLJLJLNGSA-N 0 0 454.578 4.513 20 0 JJADRN O=C(NCC1CCSCC1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001360042818 1064859093 /nfs/dbraw/zinc/85/90/93/1064859093.db2.gz BEMGMBUQTOLRBM-UHFFFAOYSA-N 0 0 452.527 4.888 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCSC2)CC1 ZINC001360043125 1064859475 /nfs/dbraw/zinc/85/94/75/1064859475.db2.gz GCUFEJBJADIFSS-HSZRJFAPSA-N 0 0 485.698 4.511 20 0 JJADRN CSc1ncc(C(=O)Nc2cnn(-c3ccccc3Br)c2)n1-c1ccccc1 ZINC001435594481 1064859948 /nfs/dbraw/zinc/85/99/48/1064859948.db2.gz VNBMJSDRJXDYLS-UHFFFAOYSA-N 0 0 454.353 4.795 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCC2)CC1 ZINC001360043306 1064860225 /nfs/dbraw/zinc/86/02/25/1064860225.db2.gz HHZYIZBKUJGDEI-IBGZPJMESA-N 0 0 473.593 4.662 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC2(C)C)CC1 ZINC001360043287 1064860241 /nfs/dbraw/zinc/86/02/41/1064860241.db2.gz GVXAISRUKVOVLE-GOSISDBHSA-N 0 0 490.446 4.668 20 0 JJADRN COC(=O)c1ccc(OCCNC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)cc1 ZINC001360043804 1064860757 /nfs/dbraw/zinc/86/07/57/1064860757.db2.gz JFMJONXFJQYAML-UHFFFAOYSA-N 0 0 456.539 4.517 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2F)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001435596147 1064861486 /nfs/dbraw/zinc/86/14/86/1064861486.db2.gz FLKQAGHEZWGIGJ-UHFFFAOYSA-N 0 0 450.323 4.624 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001360043846 1064861635 /nfs/dbraw/zinc/86/16/35/1064861635.db2.gz MHLYDQPZWYBFOB-FXAWDEMLSA-N 0 0 463.985 4.651 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360044049 1064862014 /nfs/dbraw/zinc/86/20/14/1064862014.db2.gz RHAGPOXPXFSRAR-JTHBVZDNSA-N 0 0 477.694 4.623 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001435597203 1064862087 /nfs/dbraw/zinc/86/20/87/1064862087.db2.gz PXRGSKBFBIBJHC-GFCCVEGCSA-N 0 0 452.274 4.791 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)CC2=O)cc1 ZINC001435597356 1064862130 /nfs/dbraw/zinc/86/21/30/1064862130.db2.gz RMIYFICWAMVVGQ-OXJNMPFZSA-N 0 0 455.396 4.728 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCOc2ccc(Cl)cc2)CC1 ZINC001360044305 1064862711 /nfs/dbraw/zinc/86/27/11/1064862711.db2.gz UKTDPPBIUWXWBB-UHFFFAOYSA-N 0 0 492.064 4.904 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)c1ccc(Cl)c(F)c1 ZINC001435597836 1064862764 /nfs/dbraw/zinc/86/27/64/1064862764.db2.gz LLAPIJSLWYEQNW-SFHVURJKSA-N 0 0 450.894 4.779 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Br)cc1OC(C)C)c1ccc(Cl)c(F)c1 ZINC001435598339 1064863360 /nfs/dbraw/zinc/86/33/60/1064863360.db2.gz SJONGAACCIELKF-KRWDZBQOSA-N 0 0 458.711 4.673 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCc2cccs2)CC1 ZINC001360044727 1064864104 /nfs/dbraw/zinc/86/41/04/1064864104.db2.gz ZDOSVRDWFLBFNA-UHFFFAOYSA-N 0 0 485.629 4.617 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C)CCOCC2)CC1 ZINC001360044975 1064864115 /nfs/dbraw/zinc/86/41/15/1064864115.db2.gz ZYPLRPDGAJQIIT-UHFFFAOYSA-N 0 0 497.684 4.974 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 ZINC001360044736 1064864215 /nfs/dbraw/zinc/86/42/15/1064864215.db2.gz ZNBLUJFCFCAXQS-LEWJYISDSA-N 0 0 483.657 4.714 20 0 JJADRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435600859 1064864981 /nfs/dbraw/zinc/86/49/81/1064864981.db2.gz SFWHKJZKJZOGBA-BBATYDOGSA-N 0 0 451.723 4.708 20 0 JJADRN COc1cc(NC(C)=O)ccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001435600774 1064865050 /nfs/dbraw/zinc/86/50/50/1064865050.db2.gz LUTDUXWPKUJJFM-UHFFFAOYSA-N 0 0 458.312 4.642 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(OC(F)F)cn2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001435602767 1064866657 /nfs/dbraw/zinc/86/66/57/1064866657.db2.gz RKCHDEWLJDYBIG-ZDUSSCGKSA-N 0 0 451.445 4.608 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccn(C(C)(C)C)c2=O)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001435602265 1064866670 /nfs/dbraw/zinc/86/66/70/1064866670.db2.gz GBVGATWWOSJJDH-MRXNPFEDSA-N 0 0 457.546 4.528 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)cn2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001435602766 1064866678 /nfs/dbraw/zinc/86/66/78/1064866678.db2.gz RKCHDEWLJDYBIG-CYBMUJFWSA-N 0 0 451.445 4.608 20 0 JJADRN CCOc1cc(C(=O)Nc2cccnc2-c2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC001435603242 1064867282 /nfs/dbraw/zinc/86/72/82/1064867282.db2.gz FBMWESMHIJRKLT-UHFFFAOYSA-N 0 0 459.546 4.791 20 0 JJADRN C[C@@H]1CN(C(=O)c2coc(Br)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001435603359 1064867481 /nfs/dbraw/zinc/86/74/81/1064867481.db2.gz YZNHHSRPUFQCDB-GFCCVEGCSA-N 0 0 453.308 4.967 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC001360047318 1064867900 /nfs/dbraw/zinc/86/79/00/1064867900.db2.gz UZHPKZUZKIRVQP-NOZRDPDXSA-N 0 0 483.657 4.559 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC001435603898 1064868093 /nfs/dbraw/zinc/86/80/93/1064868093.db2.gz CAUDCNVYNNLWJO-HXUWFJFHSA-N 0 0 457.039 4.904 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cnc(F)c(Br)c1 ZINC001435604523 1064868105 /nfs/dbraw/zinc/86/81/05/1064868105.db2.gz RZFSZSFSGVUWQI-UHFFFAOYSA-N 0 0 456.153 4.988 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(c2nc(C)c(C(=O)OCC)s2)C2CC2)c(Cl)c1 ZINC001360048177 1064868070 /nfs/dbraw/zinc/86/80/70/1064868070.db2.gz BUBNYVNYFJQYGQ-UHFFFAOYSA-N 0 0 451.932 4.659 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(C3CC3)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001360048306 1064868416 /nfs/dbraw/zinc/86/84/16/1064868416.db2.gz BTFJAKGTEAFERV-OAHLLOKOSA-N 0 0 478.519 4.976 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)n1 ZINC001360048334 1064868528 /nfs/dbraw/zinc/86/85/28/1064868528.db2.gz CBKLHVDVQSLMRP-CQSZACIVSA-N 0 0 495.962 4.792 20 0 JJADRN C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435605942 1064868785 /nfs/dbraw/zinc/86/87/85/1064868785.db2.gz DPGPFAASCAZQCQ-FQRUVTKNSA-N 0 0 458.558 4.994 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCc1cc(Cl)ccc1Br ZINC001435606509 1064869522 /nfs/dbraw/zinc/86/95/22/1064869522.db2.gz KLKBLPYFPFYSEW-UHFFFAOYSA-N 0 0 453.711 4.967 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)c3cc(Br)ccc3Br)c2)n1C ZINC001435606795 1064869668 /nfs/dbraw/zinc/86/96/68/1064869668.db2.gz BKQWRUBNGFALRC-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)c2ccccn2)n1 ZINC001360049099 1064870682 /nfs/dbraw/zinc/87/06/82/1064870682.db2.gz NXONUOAQHFRQKO-SFHVURJKSA-N 0 0 469.634 4.701 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc4ccccc4n3)n2CC(F)(F)F)n1 ZINC001360049039 1064870869 /nfs/dbraw/zinc/87/08/69/1064870869.db2.gz MLGDGZZLALBAAS-HNNXBMFYSA-N 0 0 489.502 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CC1(CCOC)CCCC1 ZINC001545892196 1064871167 /nfs/dbraw/zinc/87/11/67/1064871167.db2.gz PCNMQDJSWBLMID-SFTDATJTSA-N 0 0 459.679 4.810 20 0 JJADRN CC(C)COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001360049295 1064871458 /nfs/dbraw/zinc/87/14/58/1064871458.db2.gz QMCFOWALSNHRQE-IRXDYDNUSA-N 0 0 488.430 4.732 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)ncc1Br)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608987 1064872397 /nfs/dbraw/zinc/87/23/97/1064872397.db2.gz IWMVVDAEEKMTLL-BFUOFWGJSA-N 0 0 453.764 4.553 20 0 JJADRN 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CCCn1ncc(C(=O)OCC)c1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC001435617294 1064879825 /nfs/dbraw/zinc/87/98/25/1064879825.db2.gz FOUYWLCQUBMKGV-UHFFFAOYSA-N 0 0 455.942 4.883 20 0 JJADRN CC(C)COc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001360052231 1064879908 /nfs/dbraw/zinc/87/99/08/1064879908.db2.gz KQGUTAUEHWKYNC-UHFFFAOYSA-N 0 0 493.574 4.652 20 0 JJADRN CCCn1ncc(C(=O)OCC)c1NC(=O)CCCSc1ccc(Br)cc1 ZINC001435617448 1064879943 /nfs/dbraw/zinc/87/99/43/1064879943.db2.gz HFWUSISJQOQPFJ-UHFFFAOYSA-N 0 0 454.390 4.743 20 0 JJADRN CC(C)COc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCS[C@@H](C)[C@H]2C)c1 ZINC001360051911 1064880029 /nfs/dbraw/zinc/88/00/29/1064880029.db2.gz IAIJGAVJGWEBMG-UXHICEINSA-N 0 0 451.640 4.677 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)c1 ZINC001360052011 1064880152 /nfs/dbraw/zinc/88/01/52/1064880152.db2.gz JHTSXMLAKCJSJX-AZUAARDMSA-N 0 0 452.521 4.991 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 ZINC001435617721 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Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001435623588 1064885019 /nfs/dbraw/zinc/88/50/19/1064885019.db2.gz WKFKVNJAICTDJR-HXUWFJFHSA-N 0 0 454.514 4.681 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)c3c(Cl)cccc3Cl)CC2)c1 ZINC001435624719 1064885607 /nfs/dbraw/zinc/88/56/07/1064885607.db2.gz BKPKKYPRVSQSEK-UHFFFAOYSA-N 0 0 451.350 4.526 20 0 JJADRN CCCOc1ccc(C(=O)N2C[C@H](NC(C)=O)Cc3ccccc32)c(OCc2ccccc2)c1 ZINC001435624088 1064885629 /nfs/dbraw/zinc/88/56/29/1064885629.db2.gz IYKAKBJLZIPMBB-HSZRJFAPSA-N 0 0 458.558 4.762 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](C)c2c(C)noc2C)c1 ZINC001435624179 1064885638 /nfs/dbraw/zinc/88/56/38/1064885638.db2.gz CWLRLJRYHFBZJE-OAHLLOKOSA-N 0 0 453.564 4.564 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2cccc(Cl)c2)cc1 ZINC001435624733 1064885692 /nfs/dbraw/zinc/88/56/92/1064885692.db2.gz BPGIZYKWBIHNQY-RUZDIDTESA-N 0 0 459.933 4.804 20 0 JJADRN 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CC(C)(C)c1ccc(C2(CNC(=O)c3ccc(N4CCCS4(=O)=O)cc3)CCCC2)cc1 ZINC001435627090 1064888950 /nfs/dbraw/zinc/88/89/50/1064888950.db2.gz SBVNPSHANKTYDP-UHFFFAOYSA-N 0 0 454.636 4.766 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627272 1064889105 /nfs/dbraw/zinc/88/91/05/1064889105.db2.gz XPKPLPHZDVLUGW-IDISGSTGSA-N 0 0 458.606 4.737 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)C1 ZINC001360056992 1064889562 /nfs/dbraw/zinc/88/95/62/1064889562.db2.gz HYBNPMDLBAWFAD-FQEVSTJZSA-N 0 0 476.408 4.977 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001360057283 1064890215 /nfs/dbraw/zinc/89/02/15/1064890215.db2.gz JPLDICFRZUYGNP-JRGCBEDISA-N 0 0 477.447 4.510 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1)c1ccccc1OCc1cn2ccccc2n1 ZINC001360057300 1064890255 /nfs/dbraw/zinc/89/02/55/1064890255.db2.gz LKZLKPXODQLWNH-UHFFFAOYSA-N 0 0 454.299 4.745 20 0 JJADRN CCCCSCC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001360057092 1064890267 /nfs/dbraw/zinc/89/02/67/1064890267.db2.gz LUEMQYXTITUXOA-LJQANCHMSA-N 0 0 450.601 4.715 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001360057278 1064890322 /nfs/dbraw/zinc/89/03/22/1064890322.db2.gz JPLDICFRZUYGNP-DUXKGJEZSA-N 0 0 477.447 4.510 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001435628450 1064890460 /nfs/dbraw/zinc/89/04/60/1064890460.db2.gz GSDBVNWRLVCKHX-HHNLSAEISA-N 0 0 455.396 4.921 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC001360057705 1064890880 /nfs/dbraw/zinc/89/08/80/1064890880.db2.gz QQFSVFDMBQGHAK-UHFFFAOYSA-N 0 0 458.559 4.556 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc(Cl)cc1OCC ZINC001435629771 1064891158 /nfs/dbraw/zinc/89/11/58/1064891158.db2.gz GTALFPWGYPNMEQ-HNNXBMFYSA-N 0 0 456.029 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(Cl)cc1OC ZINC001545892336 1064891268 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CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCNC(=O)C(C)C)C1 ZINC001360058573 1064894534 /nfs/dbraw/zinc/89/45/34/1064894534.db2.gz STWJMOIIFDLYLX-OAQYLSRUSA-N 0 0 499.656 4.836 20 0 JJADRN CCc1c(C(=O)Oc2cccc(F)c2I)cnn1-c1ccc(F)cc1 ZINC001435633769 1064894940 /nfs/dbraw/zinc/89/49/40/1064894940.db2.gz DLNUERNKQFSQMM-UHFFFAOYSA-N 0 0 454.214 4.537 20 0 JJADRN COc1cc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc(Br)c1OC ZINC001360058597 1064895297 /nfs/dbraw/zinc/89/52/97/1064895297.db2.gz YEYLWWPLNFUYNS-GOSISDBHSA-N 0 0 454.336 4.829 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCNC(=O)OC(C)(C)C)C1 ZINC001360058681 1064895331 /nfs/dbraw/zinc/89/53/31/1064895331.db2.gz ULLOUBJMIIHXRA-LJQANCHMSA-N 0 0 493.052 4.550 20 0 JJADRN O=C([C@@H](c1ccncc1)C1CCCCC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435634056 1064895784 /nfs/dbraw/zinc/89/57/84/1064895784.db2.gz YZLVJODLBMGEFJ-HSZRJFAPSA-N 0 0 456.428 4.852 20 0 JJADRN CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccc(F)cc2O1 ZINC001435634326 1064895820 /nfs/dbraw/zinc/89/58/20/1064895820.db2.gz IHVSKOQSDAUHEX-XIKOKIGWSA-N 0 0 451.325 4.904 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001360058881 1064896810 /nfs/dbraw/zinc/89/68/10/1064896810.db2.gz XRDQYIHCDRYGTH-HZAQMHFWSA-N 0 0 497.503 4.506 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)C1 ZINC001360058911 1064897618 /nfs/dbraw/zinc/89/76/18/1064897618.db2.gz YNAQHKNQYRLKNV-KCWPFWIISA-N 0 0 488.648 4.687 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001360059092 1064897637 /nfs/dbraw/zinc/89/76/37/1064897637.db2.gz BWYMCBBBPZUHHD-KRWDZBQOSA-N 0 0 477.943 4.895 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001360059373 1064897696 /nfs/dbraw/zinc/89/76/96/1064897696.db2.gz GWFNHJSYGLWIJT-LJQANCHMSA-N 0 0 475.515 4.689 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCCc2cccc(OCCCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC001360059472 1064898347 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CC(C)CO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccccc2)C1 ZINC001360062499 1064902386 /nfs/dbraw/zinc/90/23/86/1064902386.db2.gz JJGPQQHMSYRDSW-QHCPKHFHSA-N 0 0 483.657 4.692 20 0 JJADRN COc1cccc(Br)c1OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001435642533 1064902609 /nfs/dbraw/zinc/90/26/09/1064902609.db2.gz YWEPHHPDBIXKAZ-UHFFFAOYSA-N 0 0 458.761 4.630 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001360062839 1064903085 /nfs/dbraw/zinc/90/30/85/1064903085.db2.gz MQBVEQHTFSZUAG-OAQYLSRUSA-N 0 0 456.679 4.838 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001360063076 1064903185 /nfs/dbraw/zinc/90/31/85/1064903185.db2.gz NNHYRBNVNWUUCF-GOSISDBHSA-N 0 0 465.429 4.731 20 0 JJADRN O=C([C@H]1CCc2c1cccc2Cl)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001435643491 1064903137 /nfs/dbraw/zinc/90/31/37/1064903137.db2.gz KOYPHQWISYEALF-KRWDZBQOSA-N 0 0 451.767 4.616 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC001435642898 1064903341 /nfs/dbraw/zinc/90/33/41/1064903341.db2.gz KZQJAKKRGIXPCO-OAHLLOKOSA-N 0 0 454.189 4.778 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001360063939 1064904744 /nfs/dbraw/zinc/90/47/44/1064904744.db2.gz WQFUTNLYRGURBI-DQEYMECFSA-N 0 0 456.652 4.864 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001435646830 1064905033 /nfs/dbraw/zinc/90/50/33/1064905033.db2.gz DYUOUYIYPJAPSJ-QAMTZSDWSA-N 0 0 457.398 4.913 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCc1ccc(Br)c(C)c1)C1CC1 ZINC001360064184 1064905283 /nfs/dbraw/zinc/90/52/83/1064905283.db2.gz YLNDURFRXAJXHP-QFIPXVFZSA-N 0 0 458.396 4.856 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@H]2C)C1 ZINC001360064046 1064905389 /nfs/dbraw/zinc/90/53/89/1064905389.db2.gz UCFLGNQGGIHXAQ-HUVFLSCGSA-N 0 0 458.622 4.855 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CCc1ccc(Br)c(C)c1)C1CC1 ZINC001360064183 1064905445 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BSFSVZQYXYQTRM-LEWJYISDSA-N 0 0 477.744 4.896 20 0 JJADRN CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001360076769 1064927739 /nfs/dbraw/zinc/92/77/39/1064927739.db2.gz UQWPKFFEFRDHMK-QHCPKHFHSA-N 0 0 486.661 4.547 20 0 JJADRN CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360076840 1064928436 /nfs/dbraw/zinc/92/84/36/1064928436.db2.gz WOHLZNAKDVQBHQ-XLIONFOSSA-N 0 0 496.519 4.831 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)c(I)c1 ZINC001435676378 1064928406 /nfs/dbraw/zinc/92/84/06/1064928406.db2.gz YUGSZOXRWGBIJD-UHFFFAOYSA-N 0 0 453.276 4.507 20 0 JJADRN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)sc2C1 ZINC001435678046 1064929235 /nfs/dbraw/zinc/92/92/35/1064929235.db2.gz UWOSOJAWMDUBGS-LLVKDONJSA-N 0 0 450.490 4.541 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001360077083 1064929640 /nfs/dbraw/zinc/92/96/40/1064929640.db2.gz YTPGHFQDVKDXQS-UHFFFAOYSA-N 0 0 472.703 4.672 20 0 JJADRN CC(C)[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC001435678716 1064929657 /nfs/dbraw/zinc/92/96/57/1064929657.db2.gz BACVLCHRILGPOU-WOZUAGRISA-N 0 0 451.007 4.610 20 0 JJADRN CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1cc(C)ccc1OC ZINC001435680613 1064930331 /nfs/dbraw/zinc/93/03/31/1064930331.db2.gz PJZFAMMKCDFMMU-GOSISDBHSA-N 0 0 451.610 4.794 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001360077512 1064930878 /nfs/dbraw/zinc/93/08/78/1064930878.db2.gz SHOBUMRTYMDSOR-FYYLOGMGSA-N 0 0 485.698 4.788 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360077630 1064931325 /nfs/dbraw/zinc/93/13/25/1064931325.db2.gz VINPLRYXHIYRDF-OPYAIIAOSA-N 0 0 462.685 4.900 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC001360077660 1064931338 /nfs/dbraw/zinc/93/13/38/1064931338.db2.gz BAYDFRXSMLAAMT-UHFFFAOYSA-N 0 0 454.454 4.957 20 0 JJADRN O=C(CCCc1ccccc1Cl)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001435682604 1064931565 /nfs/dbraw/zinc/93/15/65/1064931565.db2.gz NWAWZVRCBIJHGI-HXUWFJFHSA-N 0 0 452.904 4.989 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001435683606 1064932170 /nfs/dbraw/zinc/93/21/70/1064932170.db2.gz UETIFXCXMWHERD-CPJLOUKISA-N 0 0 455.913 4.981 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 ZINC001435684807 1064932717 /nfs/dbraw/zinc/93/27/17/1064932717.db2.gz UZKGFOYHOAWRLW-NRFANRHFSA-N 0 0 458.484 4.614 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC001435685759 1064933409 /nfs/dbraw/zinc/93/34/09/1064933409.db2.gz BDSFIKGOSCBDRW-UHFFFAOYSA-N 0 0 454.574 4.642 20 0 JJADRN Cc1cc2occ(CC(=O)N[C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)c2cc1C ZINC001435686698 1064933420 /nfs/dbraw/zinc/93/34/20/1064933420.db2.gz XSQOJJQXIAOGBX-OAQYLSRUSA-N 0 0 458.480 4.918 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCCC1 ZINC001435687131 1064934075 /nfs/dbraw/zinc/93/40/75/1064934075.db2.gz KGJHQLIOBJWNRD-NRFANRHFSA-N 0 0 451.489 4.722 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCCC1 ZINC001435687132 1064934123 /nfs/dbraw/zinc/93/41/23/1064934123.db2.gz KGJHQLIOBJWNRD-OAQYLSRUSA-N 0 0 451.489 4.722 20 0 JJADRN CC(C)CSCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360079688 1064934507 /nfs/dbraw/zinc/93/45/07/1064934507.db2.gz MOFMHQWZZZPIDR-UHFFFAOYSA-N 0 0 494.631 4.745 20 0 JJADRN CC(C)CSCCCn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360079509 1064934569 /nfs/dbraw/zinc/93/45/69/1064934569.db2.gz KDEMJEDUFOIIKP-HXUWFJFHSA-N 0 0 450.615 4.885 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 ZINC001435688028 1064934548 /nfs/dbraw/zinc/93/45/48/1064934548.db2.gz GAQURLKYWZVXTA-UHFFFAOYSA-N 0 0 450.292 4.827 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccc(OC)c(Br)c1 ZINC001435688926 1064934638 /nfs/dbraw/zinc/93/46/38/1064934638.db2.gz XIMWZLWNNSXGIN-RCMYXZNBSA-N 0 0 458.761 4.606 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(OC)c(Br)c1 ZINC001435688921 1064934718 /nfs/dbraw/zinc/93/47/18/1064934718.db2.gz XGOYYWRDAJHGHR-FCEWJHQRSA-N 0 0 466.759 4.635 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001360079761 1064935368 /nfs/dbraw/zinc/93/53/68/1064935368.db2.gz OFSLGXHKOAIIRY-HSZRJFAPSA-N 0 0 451.640 4.621 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)Nc2ccc(C3CC3)nn2)c1 ZINC001360079872 1064935401 /nfs/dbraw/zinc/93/54/01/1064935401.db2.gz XPMBLXDGRYBMDM-UHFFFAOYSA-N 0 0 451.324 4.550 20 0 JJADRN CC(C)CSCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001360080000 1064935791 /nfs/dbraw/zinc/93/57/91/1064935791.db2.gz SGFFUXXEUXWMAM-QHCPKHFHSA-N 0 0 469.630 4.760 20 0 JJADRN CC(C)CSCCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C(C)(C)C ZINC001360079959 1064935912 /nfs/dbraw/zinc/93/59/12/1064935912.db2.gz RIMRRCCZTDXPJM-SFHVURJKSA-N 0 0 453.697 4.801 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001360079951 1064935937 /nfs/dbraw/zinc/93/59/37/1064935937.db2.gz RHUGQCYYARDIGX-VWLOTQADSA-N 0 0 476.662 4.562 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001360080055 1064936471 /nfs/dbraw/zinc/93/64/71/1064936471.db2.gz UCLBUJBTWAYRMB-UHFFFAOYSA-N 0 0 460.667 4.651 20 0 JJADRN COc1cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc(OC)c1Br ZINC001435690662 1064936555 /nfs/dbraw/zinc/93/65/55/1064936555.db2.gz GMSWGBPEZBCCIN-SNVBAGLBSA-N 0 0 459.134 4.635 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001360080101 1064936666 /nfs/dbraw/zinc/93/66/66/1064936666.db2.gz VLYPDSDQFGULFM-CPJSRVTESA-N 0 0 477.719 4.894 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435691075 1064937319 /nfs/dbraw/zinc/93/73/19/1064937319.db2.gz IMGQCVBJRVBIRI-YJYMSZOUSA-N 0 0 456.340 4.883 20 0 JJADRN O=C(N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC001435691492 1064937710 /nfs/dbraw/zinc/93/77/10/1064937710.db2.gz SAIPMQFDLHFCJT-UHFFFAOYSA-N 0 0 456.306 4.950 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435691641 1064937808 /nfs/dbraw/zinc/93/78/08/1064937808.db2.gz MBZYGLGVDONQKY-SGTLLEGYSA-N 0 0 453.764 4.792 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360080382 1064937814 /nfs/dbraw/zinc/93/78/14/1064937814.db2.gz ZTEPSZFDTMSKPY-GOSISDBHSA-N 0 0 461.642 4.863 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001360080774 1064939036 /nfs/dbraw/zinc/93/90/36/1064939036.db2.gz QXGPBBFWCMCEIZ-UHFFFAOYSA-N 0 0 488.455 4.760 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360080820 1064939651 /nfs/dbraw/zinc/93/96/51/1064939651.db2.gz SHMFLQPXRAISCH-NRFANRHFSA-N 0 0 462.685 4.507 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001360081043 1064940100 /nfs/dbraw/zinc/94/01/00/1064940100.db2.gz YYGXNKMZJDETLR-ZYLNGJIFSA-N 0 0 492.661 4.721 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CO1 ZINC001435693146 1064940105 /nfs/dbraw/zinc/94/01/05/1064940105.db2.gz CJPSJNYEVVBYAK-UYAOXDASSA-N 0 0 455.517 4.938 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001435693711 1064940898 /nfs/dbraw/zinc/94/08/98/1064940898.db2.gz FWUJDPZZPUDHMF-UHFFFAOYSA-N 0 0 452.477 4.806 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1Cl ZINC001435694519 1064941406 /nfs/dbraw/zinc/94/14/06/1064941406.db2.gz MGAJJDQSDBCWNP-UHFFFAOYSA-N 0 0 457.379 4.637 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360082458 1064941473 /nfs/dbraw/zinc/94/14/73/1064941473.db2.gz BAZWWHWGGKUFBT-GOSISDBHSA-N 0 0 477.650 4.919 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Br)c4ccccc34)CC(=O)N2C)cc1 ZINC001435694217 1064941450 /nfs/dbraw/zinc/94/14/50/1064941450.db2.gz XCYYWDUVKKGRDS-PGRDOPGGSA-N 0 0 453.336 4.769 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)co1 ZINC001435695333 1064942059 /nfs/dbraw/zinc/94/20/59/1064942059.db2.gz BEWBMYYMHOVHCE-SNAWJCMRSA-N 0 0 450.304 4.735 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1Cl ZINC001435695923 1064942207 /nfs/dbraw/zinc/94/22/07/1064942207.db2.gz WEMATBJLBUTXPO-UHFFFAOYSA-N 0 0 451.354 4.558 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1 ZINC001435696704 1064942732 /nfs/dbraw/zinc/94/27/32/1064942732.db2.gz GXSPRXNRBQNBGF-UHFFFAOYSA-N 0 0 450.560 4.571 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(C(F)(F)F)c1 ZINC001435696390 1064942772 /nfs/dbraw/zinc/94/27/72/1064942772.db2.gz CKSSZAPRLMXIBO-ZDUSSCGKSA-N 0 0 459.827 4.685 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)C1 ZINC001360082679 1064942845 /nfs/dbraw/zinc/94/28/45/1064942845.db2.gz JLCYVMAJADPLPH-UHFFFAOYSA-N 0 0 453.450 4.712 20 0 JJADRN CC(C)CSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360082856 1064943056 /nfs/dbraw/zinc/94/30/56/1064943056.db2.gz OFACBEJSGLYHCG-DEOSSOPVSA-N 0 0 460.644 4.704 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCc4cc(Br)cc(C)c4C3)CCC2=O)cc1C ZINC001435696994 1064943481 /nfs/dbraw/zinc/94/34/81/1064943481.db2.gz PHYFPGNRIVLTOK-LJQANCHMSA-N 0 0 455.396 4.702 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001360082875 1064943563 /nfs/dbraw/zinc/94/35/63/1064943563.db2.gz ORUYGAWPFPUBEZ-GJZGRUSLSA-N 0 0 493.526 4.899 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1 ZINC001435698163 1064943892 /nfs/dbraw/zinc/94/38/92/1064943892.db2.gz VYUZOOSZBXJHBJ-UHFFFAOYSA-N 0 0 457.968 4.679 20 0 JJADRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001435697383 1064943947 /nfs/dbraw/zinc/94/39/47/1064943947.db2.gz UMWPCFKFJFEKBJ-UHFFFAOYSA-N 0 0 450.892 4.778 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001435698612 1064944535 /nfs/dbraw/zinc/94/45/35/1064944535.db2.gz CFTCEGBXXYOACR-KRWDZBQOSA-N 0 0 456.167 4.854 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2OC)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001435698308 1064944596 /nfs/dbraw/zinc/94/45/96/1064944596.db2.gz AOAQLDIOJPENGO-FXAWDEMLSA-N 0 0 457.567 4.951 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001360083232 1064944647 /nfs/dbraw/zinc/94/46/47/1064944647.db2.gz ARPWUVARBJJOHB-RBUKOAKNSA-N 0 0 468.671 4.596 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)cc1 ZINC001435699218 1064945160 /nfs/dbraw/zinc/94/51/60/1064945160.db2.gz JEPANJZKSAVZIZ-PGRDOPGGSA-N 0 0 459.608 4.719 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)nn1-c1cc(C)cc(C)c1 ZINC001435699582 1064945743 /nfs/dbraw/zinc/94/57/43/1064945743.db2.gz BMJSFNGKXJPSMQ-FDDCHVKYSA-N 0 0 454.933 4.748 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001435700800 1064946208 /nfs/dbraw/zinc/94/62/08/1064946208.db2.gz UYEPDERZPUXPLJ-MRXNPFEDSA-N 0 0 455.407 4.576 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001360084273 1064946575 /nfs/dbraw/zinc/94/65/75/1064946575.db2.gz JALIAQOZDPORAC-OAQYLSRUSA-N 0 0 450.025 4.987 20 0 JJADRN C[C@@H](C(=O)N(Cc1ccccc1F)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001360084629 1064946714 /nfs/dbraw/zinc/94/67/14/1064946714.db2.gz FYYGAGCWHKYAAK-QGZVFWFLSA-N 0 0 458.530 4.552 20 0 JJADRN O=C(c1c(Cl)ccc(I)c1F)N1CCCO[C@@H](c2ccccc2)C1 ZINC001360085396 1064947053 /nfs/dbraw/zinc/94/70/53/1064947053.db2.gz YYJPWZFPRDIFET-OAHLLOKOSA-N 0 0 459.686 4.688 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC001360085179 1064947266 /nfs/dbraw/zinc/94/72/66/1064947266.db2.gz PDLAYPUYCJYRQU-UHFFFAOYSA-N 0 0 454.914 4.978 20 0 JJADRN CC(C)CSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCSC1 ZINC001360085438 1064947459 /nfs/dbraw/zinc/94/74/59/1064947459.db2.gz ACLTYNFRXDLBFV-LJQANCHMSA-N 0 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CCCCCCn1nc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)c2ccccc2c1=O ZINC001435753860 1064977575 /nfs/dbraw/zinc/97/75/75/1064977575.db2.gz HMYMPYXOYZXJNW-IBGZPJMESA-N 0 0 450.558 4.515 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)Nc3cc(Cl)c(NC(=O)c4ccncc4)c(Cl)c3)n2n1 ZINC001360099288 1064977788 /nfs/dbraw/zinc/97/77/88/1064977788.db2.gz BRYKRTAMHHGEEX-UHFFFAOYSA-N 0 0 455.305 4.553 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)c2ccccc2)cc1 ZINC001435755123 1064978151 /nfs/dbraw/zinc/97/81/51/1064978151.db2.gz PPAOUPLNLIYHBX-ZCYQVOJMSA-N 0 0 459.565 4.781 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)CC2=O)cc1 ZINC001435753937 1064978300 /nfs/dbraw/zinc/97/83/00/1064978300.db2.gz XZDRYDAGOVMCEQ-KRWDZBQOSA-N 0 0 453.539 4.732 20 0 JJADRN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435756955 1064978777 /nfs/dbraw/zinc/97/87/77/1064978777.db2.gz HNHSQUWPOBKCGD-FQEVSTJZSA-N 0 0 459.855 4.734 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2cc(Br)cc(OC)c2)CC[C@H]1c1ccc(C)o1 ZINC001435755834 1064978983 /nfs/dbraw/zinc/97/89/83/1064978983.db2.gz NHHPEWLVPDDZMU-IRXDYDNUSA-N 0 0 451.317 4.660 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001435757285 1064979361 /nfs/dbraw/zinc/97/93/61/1064979361.db2.gz KWKZVXDRRYPNIY-JQJJQDGNSA-N 0 0 458.480 4.740 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCC(F)F)n2)cc1 ZINC001435758431 1064979426 /nfs/dbraw/zinc/97/94/26/1064979426.db2.gz ZIQYKPLYUUJGDB-UHFFFAOYSA-N 0 0 450.445 4.839 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435759271 1064979859 /nfs/dbraw/zinc/97/98/59/1064979859.db2.gz YOGQUFYHDUEOJN-SFHVURJKSA-N 0 0 459.493 4.759 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001435758680 1064980057 /nfs/dbraw/zinc/98/00/57/1064980057.db2.gz AROMHMGNXRANFR-CZUORRHYSA-N 0 0 452.311 4.948 20 0 JJADRN Cc1ccc(Br)nc1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001360100349 1064980299 /nfs/dbraw/zinc/98/02/99/1064980299.db2.gz ZAILQFHMQBCFLO-UHFFFAOYSA-N 0 0 455.352 4.883 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001435760936 1064980613 /nfs/dbraw/zinc/98/06/13/1064980613.db2.gz ZMBKGVNMMXHYRH-GFCCVEGCSA-N 0 0 453.536 4.804 20 0 JJADRN CCOC(=O)Cn1cccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1=O ZINC001435763253 1064981278 /nfs/dbraw/zinc/98/12/78/1064981278.db2.gz WNIGPBOXRJXDRN-UHFFFAOYSA-N 0 0 451.331 4.699 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Cl)cc(Br)c2)c1 ZINC001435764684 1064981674 /nfs/dbraw/zinc/98/16/74/1064981674.db2.gz LHTYYEMQDHHCBD-LBPRGKRZSA-N 0 0 459.793 4.573 20 0 JJADRN CCCc1csc(NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)n1 ZINC001435765144 1064981709 /nfs/dbraw/zinc/98/17/09/1064981709.db2.gz PXFMIEXOGRGQRG-UHFFFAOYSA-N 0 0 457.415 4.583 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)C(C)C ZINC001360103099 1064982540 /nfs/dbraw/zinc/98/25/40/1064982540.db2.gz XSCWVEFGPXNMJW-NRFANRHFSA-N 0 0 455.986 4.588 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)s1 ZINC001435768873 1064984172 /nfs/dbraw/zinc/98/41/72/1064984172.db2.gz ZBYFULUEDMFFOM-DYVFJYSZSA-N 0 0 453.402 4.905 20 0 JJADRN CC(C)[C@H](OC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1cccc(C(F)(F)F)c1 ZINC001435770367 1064984632 /nfs/dbraw/zinc/98/46/32/1064984632.db2.gz RPLPATDACBPZRL-KRWDZBQOSA-N 0 0 450.379 4.934 20 0 JJADRN O=C(CCCc1ccccc1Br)N1CC(=O)Nc2cc(Br)ccc21 ZINC001435770238 1064984682 /nfs/dbraw/zinc/98/46/82/1064984682.db2.gz PNQCANLYSQVUJO-UHFFFAOYSA-N 0 0 452.146 4.520 20 0 JJADRN Cc1c(Br)cccc1COC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001435769990 1064984700 /nfs/dbraw/zinc/98/47/00/1064984700.db2.gz VHYGKJMXUMPOGN-ZDUSSCGKSA-N 0 0 453.130 4.689 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC001435771693 1064985152 /nfs/dbraw/zinc/98/51/52/1064985152.db2.gz CUBQNNYSEGABCW-GFCCVEGCSA-N 0 0 455.287 4.933 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc(F)cc1OC(F)F ZINC001435771044 1064985235 /nfs/dbraw/zinc/98/52/35/1064985235.db2.gz ROCYQTFDSMTJRR-CQSZACIVSA-N 0 0 452.498 4.633 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCCCc3ccc(C(C)C)cc3)CC2=O)ccc1Br ZINC001360105341 1064986502 /nfs/dbraw/zinc/98/65/02/1064986502.db2.gz DADZHSOQIJJDNO-HXUWFJFHSA-N 0 0 457.412 4.983 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)C1 ZINC001360105405 1064987268 /nfs/dbraw/zinc/98/72/68/1064987268.db2.gz WBXOYKNJFHDMBZ-UONOGXRCSA-N 0 0 462.896 4.514 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)CCC(=O)N2C)cc1 ZINC001360105917 1064987357 /nfs/dbraw/zinc/98/73/57/1064987357.db2.gz NNMMNBYCIWCMQN-ZCYQVOJMSA-N 0 0 454.998 4.739 20 0 JJADRN O=C(CCOc1ccccc1I)NC1(c2ccc(F)cc2F)CCC1 ZINC001435779772 1064988472 /nfs/dbraw/zinc/98/84/72/1064988472.db2.gz DNUGIRDWXGRUNL-UHFFFAOYSA-N 0 0 457.258 4.534 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@@]4(C)CCN(C(=O)OC(C)(C)C)C4)cc3)ccc2O1 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451.878 4.853 20 0 JJADRN O=C(Cc1ccc(F)cc1Cl)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360111371 1064992815 /nfs/dbraw/zinc/99/28/15/1064992815.db2.gz IUMRAAPMYBPNKI-UHFFFAOYSA-N 0 0 453.869 4.912 20 0 JJADRN COc1ccccc1C(C)(C)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360111492 1064992874 /nfs/dbraw/zinc/99/28/74/1064992874.db2.gz NAKDBKGCDIERSG-UHFFFAOYSA-N 0 0 459.514 4.864 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1OC ZINC001360111912 1064993436 /nfs/dbraw/zinc/99/34/36/1064993436.db2.gz YAZJVIASQPOXJK-MRXNPFEDSA-N 0 0 450.564 4.666 20 0 JJADRN O=C(CSCc1cccs1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360111906 1064993491 /nfs/dbraw/zinc/99/34/91/1064993491.db2.gz XXWNPGRJKZUTAH-UHFFFAOYSA-N 0 0 453.557 4.872 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC001360111883 1064993514 /nfs/dbraw/zinc/99/35/14/1064993514.db2.gz XODDHJMXGOBKHJ-CYBMUJFWSA-N 0 0 459.436 4.791 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccc(OCc2cccnc2)c1 ZINC001435795815 1064994779 /nfs/dbraw/zinc/99/47/79/1064994779.db2.gz VBBAMBWSYZIVGV-UHFFFAOYSA-N 0 0 455.301 4.905 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001435795389 1064994879 /nfs/dbraw/zinc/99/48/79/1064994879.db2.gz CCXYYLHZUMCNNS-HJPURHCSSA-N 0 0 452.913 4.835 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H](C)c1ccccc1 ZINC001435796344 1064995148 /nfs/dbraw/zinc/99/51/48/1064995148.db2.gz NFMYGKKVGMGKMW-CYBMUJFWSA-N 0 0 456.283 4.817 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC=CCC1 ZINC001435797004 1064995186 /nfs/dbraw/zinc/99/51/86/1064995186.db2.gz BPVXVWUXIVCQHP-NRFANRHFSA-N 0 0 452.338 4.686 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 ZINC001435798655 1064996291 /nfs/dbraw/zinc/99/62/91/1064996291.db2.gz OMFQMUNPZQQTFX-CALCHBBNSA-N 0 0 451.954 4.761 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCOc1ncccc1F ZINC001360113828 1064996380 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CC(C)N(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001360122270 1065011269 /nfs/dbraw/zinc/01/12/69/1065011269.db2.gz BDBMWGLXBGYTLN-INIZCTEOSA-N 0 0 465.044 4.510 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1 ZINC001360122331 1065011426 /nfs/dbraw/zinc/01/14/26/1065011426.db2.gz CKFLZLNGBQEGMP-UHFFFAOYSA-N 0 0 479.071 4.900 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001435827297 1065011393 /nfs/dbraw/zinc/01/13/93/1065011393.db2.gz LXWSWHJCOOFPNA-GOSISDBHSA-N 0 0 458.580 4.940 20 0 JJADRN CCOc1cc(NC2CCN(C(=O)c3cccnc3SCC3CCCCC3)CC2)ncn1 ZINC001435825847 1065011537 /nfs/dbraw/zinc/01/15/37/1065011537.db2.gz BMBKJYNJYJQQFG-UHFFFAOYSA-N 0 0 455.628 4.659 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435828335 1065012063 /nfs/dbraw/zinc/01/20/63/1065012063.db2.gz VOINBKRKHCTRJM-CVDCTZTESA-N 0 0 457.412 4.831 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360122639 1065012248 /nfs/dbraw/zinc/01/22/48/1065012248.db2.gz NSDDRVDKSIKZJL-UHFFFAOYSA-N 0 0 459.501 4.674 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001360122659 1065012415 /nfs/dbraw/zinc/01/24/15/1065012415.db2.gz OBYKTQSINZTDNJ-UZUQRXQVSA-N 0 0 461.031 4.820 20 0 JJADRN Cc1ccccc1C(NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1ccccc1C ZINC001435828623 1065012503 /nfs/dbraw/zinc/01/25/03/1065012503.db2.gz XDWGQRITTXFVHB-QHCPKHFHSA-N 0 0 456.586 4.827 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001435828622 1065012630 /nfs/dbraw/zinc/01/26/30/1065012630.db2.gz WKDJPWUZTWONCD-OAHLLOKOSA-N 0 0 458.331 4.632 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435828925 1065012931 /nfs/dbraw/zinc/01/29/31/1065012931.db2.gz BPIPVJIKVRPAHV-WIOPSUGQSA-N 0 0 456.542 4.721 20 0 JJADRN Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)c3cccc(CC(C)C)c3)C2=O)ccc1Br ZINC001435829711 1065013546 /nfs/dbraw/zinc/01/35/46/1065013546.db2.gz IZNHUSOPOTUJMT-VGOFRKELSA-N 0 0 457.412 4.981 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC001435831188 1065014227 /nfs/dbraw/zinc/01/42/27/1065014227.db2.gz JGTGZQWDNIARCB-MATUZCBOSA-N 0 0 450.579 4.559 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001435831962 1065014408 /nfs/dbraw/zinc/01/44/08/1065014408.db2.gz OEQNZPHLCUHRPQ-CQSZACIVSA-N 0 0 450.398 4.531 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N3CC=C(c4cccc(Br)c4)CC3)CC2=O)cc1 ZINC001435832836 1065014782 /nfs/dbraw/zinc/01/47/82/1065014782.db2.gz SUBIPSOJIBHICU-FQEVSTJZSA-N 0 0 453.380 4.680 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC001435832398 1065014948 /nfs/dbraw/zinc/01/49/48/1065014948.db2.gz QBOKLNFWGXZNBV-UHFFFAOYSA-N 0 0 456.409 4.978 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)CCO2 ZINC001435832919 1065014982 /nfs/dbraw/zinc/01/49/82/1065014982.db2.gz NUVXWHVHTYCDKX-LJQANCHMSA-N 0 0 455.308 4.899 20 0 JJADRN CN(C(=O)COc1ccc(Br)cc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001435835028 1065015394 /nfs/dbraw/zinc/01/53/94/1065015394.db2.gz QPJSBLSUDYZHGP-QFBILLFUSA-N 0 0 456.739 4.999 20 0 JJADRN Cc1csc([C@@H](C)CNC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)n1 ZINC001435834655 1065015429 /nfs/dbraw/zinc/01/54/29/1065015429.db2.gz FRCMHMCXIQAYRV-HNNXBMFYSA-N 0 0 452.605 4.508 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545893648 1065015513 /nfs/dbraw/zinc/01/55/13/1065015513.db2.gz FFNUDFDDNMDWFY-INIZCTEOSA-N 0 0 465.564 4.795 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001360123963 1065015794 /nfs/dbraw/zinc/01/57/94/1065015794.db2.gz QXRNBRYKLDRMAY-JOCHJYFZSA-N 0 0 467.639 4.551 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCc1ccccc1Cl ZINC001360124042 1065015889 /nfs/dbraw/zinc/01/58/89/1065015889.db2.gz TZGBMLQZMPGCFV-UHFFFAOYSA-N 0 0 458.031 4.773 20 0 JJADRN C[C@H](CNC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)c1ccccc1 ZINC001435835342 1065015991 /nfs/dbraw/zinc/01/59/91/1065015991.db2.gz DVDPQALXNSEVKP-GFCCVEGCSA-N 0 0 453.262 4.582 20 0 JJADRN COC1CCC(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001435838280 1065017245 /nfs/dbraw/zinc/01/72/45/1065017245.db2.gz OELLZOCXQVZJNH-SCRWZUPISA-N 0 0 456.671 4.888 20 0 JJADRN CC(C)(C)c1nc(C(=O)Oc2ccc(I)c(Br)c2)co1 ZINC001435839040 1065017380 /nfs/dbraw/zinc/01/73/80/1065017380.db2.gz NLZKAYSRZXOYGL-UHFFFAOYSA-N 0 0 450.070 4.558 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435840230 1065017896 /nfs/dbraw/zinc/01/78/96/1065017896.db2.gz FQTFQGJLLNUIQW-CTNGQTDRSA-N 0 0 458.331 4.766 20 0 JJADRN CSc1cc(C(=O)Oc2ccc(I)c(Br)c2)c(C)o1 ZINC001435840256 1065018272 /nfs/dbraw/zinc/01/82/72/1065018272.db2.gz VERYBOJOZOOSKY-UHFFFAOYSA-N 0 0 453.095 4.896 20 0 JJADRN O=C(CCn1cnc2ccccc2c1=O)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001435841214 1065018299 /nfs/dbraw/zinc/01/82/99/1065018299.db2.gz LTAMFHQHKAHECU-KRWDZBQOSA-N 0 0 457.374 4.615 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)c3ccc(OC(F)(F)F)c(C)c3)nc3n2CCC3)cc1 ZINC001435840806 1065018384 /nfs/dbraw/zinc/01/83/84/1065018384.db2.gz DIMNLZHFRDYRCA-UHFFFAOYSA-N 0 0 459.424 4.528 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)nc1C1CCCC1 ZINC001435841729 1065018740 /nfs/dbraw/zinc/01/87/40/1065018740.db2.gz RAXUJGHMGZQAPL-UHFFFAOYSA-N 0 0 450.973 4.955 20 0 JJADRN CCN(CC(F)F)C(=O)Cn1nc(C)c2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC001435842657 1065019215 /nfs/dbraw/zinc/01/92/15/1065019215.db2.gz FVBKVNWAQGHSDV-UHFFFAOYSA-N 0 0 456.415 4.548 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)OCc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC001435842097 1065019439 /nfs/dbraw/zinc/01/94/39/1065019439.db2.gz DWSJYMCNVNCFGH-IBGZPJMESA-N 0 0 453.564 4.667 20 0 JJADRN CN(C(=O)c1ccc(I)cc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435843274 1065019813 /nfs/dbraw/zinc/01/98/13/1065019813.db2.gz VDFLYCRZNQROLF-YJBOKZPZSA-N 0 0 457.258 4.562 20 0 JJADRN COc1cc(Br)c(C(=O)OCc2ccc(C(=O)OC(C)(C)C)cc2)cc1OC ZINC001435843598 1065019970 /nfs/dbraw/zinc/01/99/70/1065019970.db2.gz PZMZIZZJFNNPSR-UHFFFAOYSA-N 0 0 451.313 4.779 20 0 JJADRN O=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001435843403 1065020077 /nfs/dbraw/zinc/02/00/77/1065020077.db2.gz OIBYWGDSCVBLCL-UHFFFAOYSA-N 0 0 457.086 4.693 20 0 JJADRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccc(SCc3ccccc3)cc1)C2=O ZINC001435844558 1065020446 /nfs/dbraw/zinc/02/04/46/1065020446.db2.gz AUKAZHBZZOTFGR-AVRWGWEMSA-N 0 0 452.576 4.523 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)C2CCCCCC2)c1 ZINC001435846104 1065020814 /nfs/dbraw/zinc/02/08/14/1065020814.db2.gz IMWMVZFTYCROGP-OAHLLOKOSA-N 0 0 459.450 4.568 20 0 JJADRN Cc1cnc([C@@H](C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)s1 ZINC001435845743 1065020844 /nfs/dbraw/zinc/02/08/44/1065020844.db2.gz MARBJLOIJZVBKJ-LRDDRELGSA-N 0 0 457.518 4.956 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cc(F)ccc1-c1ccoc1 ZINC001360127140 1065021210 /nfs/dbraw/zinc/02/12/10/1065021210.db2.gz OSPAKEZAYFTBGY-UHFFFAOYSA-N 0 0 459.315 4.627 20 0 JJADRN Cc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1I ZINC001360127456 1065021719 /nfs/dbraw/zinc/02/17/19/1065021719.db2.gz UPEOHMVXADNLBG-UHFFFAOYSA-N 0 0 451.148 4.557 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C)c1cccc(Br)c1 ZINC001435849164 1065021977 /nfs/dbraw/zinc/02/19/77/1065021977.db2.gz DTWRVSVLHHODPX-MOPGFXCFSA-N 0 0 455.755 4.932 20 0 JJADRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001435848780 1065022049 /nfs/dbraw/zinc/02/20/49/1065022049.db2.gz ANJJIRZCZAEQBD-RLNQZENFSA-N 0 0 451.432 4.762 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)c(F)c1 ZINC001435848974 1065022097 /nfs/dbraw/zinc/02/20/97/1065022097.db2.gz CCMYENPYCBYTLG-QFIPXVFZSA-N 0 0 457.933 4.651 20 0 JJADRN Cc1c(C(=O)NC2CCC(c3ccc(F)cc3)CC2)nnn1-c1ccccc1Br ZINC001435850026 1065022500 /nfs/dbraw/zinc/02/25/00/1065022500.db2.gz RPOXEEUYXLSJNW-UHFFFAOYSA-N 0 0 457.347 4.934 20 0 JJADRN C/C=C/COc1cccc(CC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC001435850060 1065022514 /nfs/dbraw/zinc/02/25/14/1065022514.db2.gz KZCLDUIJYRHHJE-MUTNHWFVSA-N 0 0 459.590 4.646 20 0 JJADRN O=C(Oc1cc(F)cc(F)c1)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001360128652 1065023285 /nfs/dbraw/zinc/02/32/85/1065023285.db2.gz BWQWVDTYBZSEEY-UHFFFAOYSA-N 0 0 457.248 4.513 20 0 JJADRN COC(=O)C1(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CCOCC1 ZINC001435852038 1065023531 /nfs/dbraw/zinc/02/35/31/1065023531.db2.gz SRDBBDBDJNZSCN-UHFFFAOYSA-N 0 0 457.523 4.564 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccncc2)c1 ZINC001435851934 1065023735 /nfs/dbraw/zinc/02/37/35/1065023735.db2.gz IJLBEKOICMSYGY-DRLORSAXSA-N 0 0 452.551 4.760 20 0 JJADRN COCCN(C(=O)c1cnc(-c2c(F)cccc2F)s1)c1cccc(Br)n1 ZINC001435852232 1065024271 /nfs/dbraw/zinc/02/42/71/1065024271.db2.gz NNAGGEAHGJDLRN-UHFFFAOYSA-N 0 0 454.296 4.539 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1csc(-c3ccc(OC)c(OC)c3)n1)[C@H]2C ZINC001435852948 1065024541 /nfs/dbraw/zinc/02/45/41/1065024541.db2.gz HFQRFULJGCBUOR-CVEARBPZSA-N 0 0 452.576 4.913 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)s2)cc1 ZINC001360130372 1065025648 /nfs/dbraw/zinc/02/56/48/1065025648.db2.gz AAUXUPLYFGGPLY-SFHVURJKSA-N 0 0 453.539 4.547 20 0 JJADRN Cn1c(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)ccc1-c1ccc(Br)cc1 ZINC001360130971 1065026380 /nfs/dbraw/zinc/02/63/80/1065026380.db2.gz HEYHIGGSOOWLGC-LJQANCHMSA-N 0 0 456.359 4.993 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001435854869 1065026533 /nfs/dbraw/zinc/02/65/33/1065026533.db2.gz HDFWRKGIOVABJE-UHFFFAOYSA-N 0 0 456.388 4.954 20 0 JJADRN O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001435855354 1065026577 /nfs/dbraw/zinc/02/65/77/1065026577.db2.gz NARFTALCOKHVTB-OAQYLSRUSA-N 0 0 450.407 4.988 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3C(F)(F)F)cc2)nc1 ZINC001435856064 1065027032 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4.539 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)/C=C/c3ccsc3C(F)(F)F)c12 ZINC001435861146 1065030142 /nfs/dbraw/zinc/03/01/42/1065030142.db2.gz MDVGOZZCCHZTDN-NFAHFFEMSA-N 0 0 450.486 4.959 20 0 JJADRN O=C(COc1ccc(Oc2ccccc2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001435861685 1065030186 /nfs/dbraw/zinc/03/01/86/1065030186.db2.gz DOISMOYWPJAXBF-UHFFFAOYSA-N 0 0 454.929 4.995 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC001360134707 1065030684 /nfs/dbraw/zinc/03/06/84/1065030684.db2.gz PMDQLKTXCASPJJ-SANMLTNESA-N 0 0 459.521 4.880 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCCCC(=O)OC(C)(C)C)cc2)cc1 ZINC001435863163 1065030630 /nfs/dbraw/zinc/03/06/30/1065030630.db2.gz KTQMPFAWKRDCCF-UHFFFAOYSA-N 0 0 459.608 4.601 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1 ZINC001435862234 1065030679 /nfs/dbraw/zinc/03/06/79/1065030679.db2.gz HZVHMOQDZTYSBJ-DEOSSOPVSA-N 0 0 453.558 4.848 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001360137498 1065033045 /nfs/dbraw/zinc/03/30/45/1065033045.db2.gz VNHYYSHITDUEPK-UHFFFAOYSA-N 0 0 454.995 4.904 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(I)c2C)cc1 ZINC001435867022 1065033987 /nfs/dbraw/zinc/03/39/87/1065033987.db2.gz JDSCZFLRUUHGDB-GFCCVEGCSA-N 0 0 454.333 4.677 20 0 JJADRN Cn1c(SCC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)nnc1-c1cccs1 ZINC001435867301 1065034414 /nfs/dbraw/zinc/03/44/14/1065034414.db2.gz FXRXUAAPRKKMCN-AWEZNQCLSA-N 0 0 452.527 4.671 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CCCc1ccc(C)s1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867426 1065034454 /nfs/dbraw/zinc/03/44/54/1065034454.db2.gz FFQDFBLGYMDMMT-XMMPIXPASA-N 0 0 453.608 4.661 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 ZINC001435868358 1065034810 /nfs/dbraw/zinc/03/48/10/1065034810.db2.gz CQSVNHCGZVSSDI-UHFFFAOYSA-N 0 0 451.523 4.735 20 0 JJADRN CS[C@H](CNC(=O)c1cccc(Br)c1I)C(C)(C)C ZINC001435867772 1065034819 /nfs/dbraw/zinc/03/48/19/1065034819.db2.gz JWBJJUUVMXSEQI-LLVKDONJSA-N 0 0 456.187 4.561 20 0 JJADRN Cn1c(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)ccc1-c1ccc(F)cc1 ZINC001435868724 1065035294 /nfs/dbraw/zinc/03/52/94/1065035294.db2.gz DXCUTZFTJKGVND-UHFFFAOYSA-N 0 0 453.514 4.987 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2cccc(I)c2C)CCN1C(=O)OC(C)(C)C ZINC001435870509 1065035858 /nfs/dbraw/zinc/03/58/58/1065035858.db2.gz RTJBCJYTEQSRKM-CZUORRHYSA-N 0 0 458.340 4.574 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001360139650 1065036114 /nfs/dbraw/zinc/03/61/14/1065036114.db2.gz OLQJLYIJWCTPDJ-UHFFFAOYSA-N 0 0 459.306 4.861 20 0 JJADRN CCn1cc(Br)c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCCC3)n1 ZINC001435871696 1065036710 /nfs/dbraw/zinc/03/67/10/1065036710.db2.gz SNWCYIWYFLFMLU-UHFFFAOYSA-N 0 0 454.390 4.813 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CCOc1cc(Cl)ccc1Cl ZINC001435873309 1065037131 /nfs/dbraw/zinc/03/71/31/1065037131.db2.gz YSWFWGCVSXEHSQ-HSZRJFAPSA-N 0 0 450.362 4.929 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545893878 1065037609 /nfs/dbraw/zinc/03/76/09/1065037609.db2.gz JWGIQJJYILUFLX-OAHLLOKOSA-N 0 0 487.954 4.686 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1 ZINC001435873854 1065037804 /nfs/dbraw/zinc/03/78/04/1065037804.db2.gz WLNYQCSVRHHQOX-UHFFFAOYSA-N 0 0 455.338 4.914 20 0 JJADRN CCOC(=O)C1(NC(=O)CCSc2ccnc3cc(Cl)ccc32)Cc2ccccc2C1 ZINC001360140830 1065039078 /nfs/dbraw/zinc/03/90/78/1065039078.db2.gz DBKUHGYDRSQRLW-UHFFFAOYSA-N 0 0 454.979 4.587 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cc(Br)ncc1Br ZINC001435878896 1065040071 /nfs/dbraw/zinc/04/00/71/1065040071.db2.gz SXDQCJHGIPVCLV-UHFFFAOYSA-N 0 0 456.178 4.962 20 0 JJADRN COc1cc(NC(=O)c2cnccc2C(F)(F)F)c(Br)cc1Br ZINC001435880652 1065041405 /nfs/dbraw/zinc/04/14/05/1065041405.db2.gz MFYRSVUMNXYHST-UHFFFAOYSA-N 0 0 454.040 4.886 20 0 JJADRN CCCN1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c2ccc(F)cc21 ZINC001435881648 1065042555 /nfs/dbraw/zinc/04/25/55/1065042555.db2.gz CYXHSPMXKQFZKG-UHFFFAOYSA-N 0 0 455.555 4.772 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ncc2c(F)cccn21)C1CC1 ZINC001435882451 1065042861 /nfs/dbraw/zinc/04/28/61/1065042861.db2.gz QMQXWZLTISDWHU-GOSISDBHSA-N 0 0 450.297 4.689 20 0 JJADRN COCCOc1cccc(CC(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(C)cc2)c1 ZINC001360142856 1065043174 /nfs/dbraw/zinc/04/31/74/1065043174.db2.gz YDKNLLVORFTSQE-SANMLTNESA-N 0 0 458.558 4.549 20 0 JJADRN COc1ccc2c(c1NC(=O)c1cccn1-c1cccc(I)c1)CCC2 ZINC001435883972 1065043337 /nfs/dbraw/zinc/04/33/37/1065043337.db2.gz RHLBWIXAYGXESM-UHFFFAOYSA-N 0 0 458.299 4.832 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001435883360 1065043481 /nfs/dbraw/zinc/04/34/81/1065043481.db2.gz HMPITSOOEMGBSU-ZDUSSCGKSA-N 0 0 457.137 4.875 20 0 JJADRN CCCCc1nc(NC(=O)[C@H](CC)Cc2cccc(Br)c2)c(C(=O)OCC)[nH]1 ZINC001435886699 1065044345 /nfs/dbraw/zinc/04/43/45/1065044345.db2.gz GSUPGVOKOHPLSV-OAHLLOKOSA-N 0 0 450.377 4.899 20 0 JJADRN CCc1c(NC(=O)COc2ccc3ccc(=O)oc3c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435887709 1065044830 /nfs/dbraw/zinc/04/48/30/1065044830.db2.gz VTFYMPPZKCZIGA-UHFFFAOYSA-N 0 0 457.408 4.577 20 0 JJADRN CCCCc1nc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c(C(=O)OCC)[nH]1 ZINC001435887556 1065045006 /nfs/dbraw/zinc/04/50/06/1065045006.db2.gz TXTUMMZCNKVUPM-LBPRGKRZSA-N 0 0 454.340 4.963 20 0 JJADRN C[C@@H](CN(C)C(=O)c1cnn2cccc(Br)c12)Oc1ccc(Cl)c(Cl)c1 ZINC001435887833 1065045130 /nfs/dbraw/zinc/04/51/30/1065045130.db2.gz BPPVOUSDMZRKHR-NSHDSACASA-N 0 0 457.155 4.943 20 0 JJADRN CCc1c(NC(=O)Cc2nnn(-c3ccccc3)c2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435888355 1065045625 /nfs/dbraw/zinc/04/56/25/1065045625.db2.gz YZKPRQTVYYGRCG-UHFFFAOYSA-N 0 0 454.456 4.524 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C)Oc1ccccc1C ZINC001545893946 1065045993 /nfs/dbraw/zinc/04/59/93/1065045993.db2.gz LIZZHPGSWJBCAN-MSOLQXFVSA-N 0 0 481.563 4.751 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl ZINC001435889116 1065046572 /nfs/dbraw/zinc/04/65/72/1065046572.db2.gz VTJFZZJZSBWACI-UHFFFAOYSA-N 0 0 459.917 4.891 20 0 JJADRN O=C(CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)Nc1cccc2ccccc21 ZINC001360145377 1065047343 /nfs/dbraw/zinc/04/73/43/1065047343.db2.gz GEAXVOTUQCQOCM-UHFFFAOYSA-N 0 0 456.399 4.552 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001360145342 1065047518 /nfs/dbraw/zinc/04/75/18/1065047518.db2.gz NQOSURIBZHSRSY-CQSZACIVSA-N 0 0 456.377 4.729 20 0 JJADRN CC[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890684 1065047646 /nfs/dbraw/zinc/04/76/46/1065047646.db2.gz WGLVUHMXDFPVFU-CABCVRRESA-N 0 0 453.341 4.801 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)cs1 ZINC001435891781 1065047992 /nfs/dbraw/zinc/04/79/92/1065047992.db2.gz OOIQYRKWOVPBGA-HXUWFJFHSA-N 0 0 452.418 4.730 20 0 JJADRN CCc1nc2ccccc2c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)OC)c2)c1C ZINC001360145864 1065048045 /nfs/dbraw/zinc/04/80/45/1065048045.db2.gz YXECLLZHGYBWRW-QHCPKHFHSA-N 0 0 459.546 4.526 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc2cc(Br)cnc2n1C ZINC001435891674 1065048263 /nfs/dbraw/zinc/04/82/63/1065048263.db2.gz YXNQMYNEZZHBHH-UHFFFAOYSA-N 0 0 456.262 4.506 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2c(Cl)cccc2OC)[C@@H]1c1ccc(OC)cc1 ZINC001435892449 1065048568 /nfs/dbraw/zinc/04/85/68/1065048568.db2.gz VQNBICYKSFHSIC-DVECYGJZSA-N 0 0 458.986 4.753 20 0 JJADRN CC(C)[C@@](C)(NC(=O)c1nn2c(c1Br)CCC2)c1ccc(Br)cc1 ZINC001435892906 1065049136 /nfs/dbraw/zinc/04/91/36/1065049136.db2.gz ZWZCQDHUJBAONY-GOSISDBHSA-N 0 0 455.194 4.656 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC001435893229 1065049182 /nfs/dbraw/zinc/04/91/82/1065049182.db2.gz MDOQQIDMISWDPZ-UHFFFAOYSA-N 0 0 456.949 4.598 20 0 JJADRN COc1ccc(C(=O)OCc2ccc(I)c(C(F)(F)F)c2)c(C)c1 ZINC001435894288 1065049461 /nfs/dbraw/zinc/04/94/61/1065049461.db2.gz GITSAALGTJIUMG-UHFFFAOYSA-N 0 0 450.194 4.984 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC001435895776 1065050134 /nfs/dbraw/zinc/05/01/34/1065050134.db2.gz NVHAJFAYHDPZCU-GOSISDBHSA-N 0 0 450.988 4.926 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)Cc2csc(CCC(F)(F)F)n2)c1 ZINC001435897851 1065051341 /nfs/dbraw/zinc/05/13/41/1065051341.db2.gz LIQBFRYTKZNRIZ-UHFFFAOYSA-N 0 0 451.308 4.610 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)c1sc(C(C)(C)c3ccccc3)nc1C)CCO2 ZINC001435898358 1065051352 /nfs/dbraw/zinc/05/13/52/1065051352.db2.gz SQQAYQOCGNORAB-UHFFFAOYSA-N 0 0 450.560 4.993 20 0 JJADRN CC(C)[C@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccnn1C ZINC001435899614 1065052310 /nfs/dbraw/zinc/05/23/10/1065052310.db2.gz MZSVXQVJHIRMNL-INIZCTEOSA-N 0 0 453.896 4.507 20 0 JJADRN Cc1c(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)nnn1Cc1ccccc1F ZINC001435900377 1065052762 /nfs/dbraw/zinc/05/27/62/1065052762.db2.gz BUKIPWBZYHQQSG-UHFFFAOYSA-N 0 0 452.436 4.883 20 0 JJADRN Cc1c(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435900441 1065052816 /nfs/dbraw/zinc/05/28/16/1065052816.db2.gz CQNLCBZVIWCRBZ-XIKOKIGWSA-N 0 0 450.486 4.604 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)c3cccc(OC(C)C)c3)CC2)c(C)c1 ZINC001435900461 1065052864 /nfs/dbraw/zinc/05/28/64/1065052864.db2.gz ACNMDSJPHNQLIE-HXUWFJFHSA-N 0 0 459.608 4.796 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001435901608 1065053538 /nfs/dbraw/zinc/05/35/38/1065053538.db2.gz IQUIDXHRGPFPLU-FQEVSTJZSA-N 0 0 450.348 4.953 20 0 JJADRN CC(C)Oc1cccc([C@@H](C)OC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)c1 ZINC001435902637 1065054218 /nfs/dbraw/zinc/05/42/18/1065054218.db2.gz PTMCYYAEFVCSHF-QGZVFWFLSA-N 0 0 458.559 4.555 20 0 JJADRN Cn1cc(CCNC(=O)c2cnn(-c3ccccc3)c2Br)c2ccc(Cl)cc21 ZINC001435904448 1065054970 /nfs/dbraw/zinc/05/49/70/1065054970.db2.gz JZGKCRBKXQGOLS-UHFFFAOYSA-N 0 0 457.759 4.752 20 0 JJADRN CO[C@@H](C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCC(C)(C)C2)C(=O)OC(C)(C)C ZINC001435904131 1065055067 /nfs/dbraw/zinc/05/50/67/1065055067.db2.gz FMKAHCIMOBYGLB-INIZCTEOSA-N 0 0 453.601 4.514 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)c1 ZINC001360151047 1065055190 /nfs/dbraw/zinc/05/51/90/1065055190.db2.gz QRCZUDVFTPSDJY-GOSISDBHSA-N 0 0 456.435 4.961 20 0 JJADRN COCCc1ccccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001435904748 1065055264 /nfs/dbraw/zinc/05/52/64/1065055264.db2.gz UUPPMZZBADAZLN-UHFFFAOYSA-N 0 0 451.567 4.997 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001435905158 1065055429 /nfs/dbraw/zinc/05/54/29/1065055429.db2.gz UZEFMMDZVPWBHW-MRXNPFEDSA-N 0 0 458.358 4.782 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCc3cn(C)c4cc(Cl)ccc34)C2)c1 ZINC001435905041 1065055545 /nfs/dbraw/zinc/05/55/45/1065055545.db2.gz RRGOGLBIQZQZIK-HXUWFJFHSA-N 0 0 451.998 4.660 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435906445 1065055839 /nfs/dbraw/zinc/05/58/39/1065055839.db2.gz HGMBAWWAXOPHLJ-WTNAPCKOSA-N 0 0 458.986 4.764 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)c(I)c1 ZINC001435906441 1065055968 /nfs/dbraw/zinc/05/59/68/1065055968.db2.gz HDTAPWSBZFMENI-PIGZYNQJSA-N 0 0 459.686 4.686 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001435906663 1065056335 /nfs/dbraw/zinc/05/63/35/1065056335.db2.gz IVPSWLUVLOFIPA-PGRDOPGGSA-N 0 0 450.023 4.821 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC001435907288 1065056347 /nfs/dbraw/zinc/05/63/47/1065056347.db2.gz OVTKRICQOYKYCW-SCLBCKFNSA-N 0 0 455.723 4.855 20 0 JJADRN CCCc1c(C(=O)Nc2cccc3ccn(C)c32)nnn1Cc1cccc(Br)c1 ZINC001435906849 1065056384 /nfs/dbraw/zinc/05/63/84/1065056384.db2.gz OEOAHXSVPJIECV-UHFFFAOYSA-N 0 0 452.356 4.785 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cs1 ZINC001435907970 1065056779 /nfs/dbraw/zinc/05/67/79/1065056779.db2.gz ZQTWHCVYYIXADS-UHFFFAOYSA-N 0 0 459.921 4.800 20 0 JJADRN COC(=O)[C@@]1(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[C@H]1c1ccccc1 ZINC001435907526 1065056830 /nfs/dbraw/zinc/05/68/30/1065056830.db2.gz VNAIBIANIYTURV-JTSKRJEESA-N 0 0 451.872 4.854 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)Cc3ccc(C)cc3C)cc2)cc1 ZINC001360153981 1065056918 /nfs/dbraw/zinc/05/69/18/1065056918.db2.gz LIUDYBKKUZUZAZ-OAQYLSRUSA-N 0 0 450.604 4.798 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)c(F)c1 ZINC001435909074 1065057584 /nfs/dbraw/zinc/05/75/84/1065057584.db2.gz WPZQMJRDSVBCFB-DIFFPNOSSA-N 0 0 459.686 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cc2C1 ZINC001435908879 1065057647 /nfs/dbraw/zinc/05/76/47/1065057647.db2.gz XGKAOIVHKFEXCS-UHFFFAOYSA-N 0 0 450.457 4.651 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC001435908996 1065057721 /nfs/dbraw/zinc/05/77/21/1065057721.db2.gz ILVIJUWIINACRE-UHFFFAOYSA-N 0 0 457.324 4.503 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001435910406 1065058460 /nfs/dbraw/zinc/05/84/60/1065058460.db2.gz FICQSXHGTZCEDC-UHFFFAOYSA-N 0 0 450.501 4.752 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)Cc3ccsc3)n2CCCOC(F)F)c2ccccc2c1=O ZINC001360156617 1065058559 /nfs/dbraw/zinc/05/85/59/1065058559.db2.gz GVWSTWHCRSZZSJ-UHFFFAOYSA-N 0 0 488.564 4.563 20 0 JJADRN Cc1c(C(=O)O[C@@H](Cc2ccc(F)cc2)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 ZINC001435910388 1065058541 /nfs/dbraw/zinc/05/85/41/1065058541.db2.gz GVWXEEYWHWOAEX-INIZCTEOSA-N 0 0 459.346 4.647 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 ZINC001360157000 1065059068 /nfs/dbraw/zinc/05/90/68/1065059068.db2.gz BXVLJJOINABNSJ-UHFFFAOYSA-N 0 0 459.905 4.697 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161323 1065060024 /nfs/dbraw/zinc/06/00/24/1065060024.db2.gz HEYRXXKFCDHDOG-GOSISDBHSA-N 0 0 459.999 4.947 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccccc1 ZINC001435912802 1065060002 /nfs/dbraw/zinc/06/00/02/1065060002.db2.gz NLGCKOKDADGZHJ-XMMPIXPASA-N 0 0 454.617 4.995 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)/C=C\c2nc3ccccc3s2)c2ccc(Cl)cc2)CCO1 ZINC001360161465 1065060286 /nfs/dbraw/zinc/06/02/86/1065060286.db2.gz JLVNUCKGYVNVJI-ZCPJJFRWSA-N 0 0 456.011 4.931 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 ZINC001360161387 1065060446 /nfs/dbraw/zinc/06/04/46/1065060446.db2.gz IATVLMVLKXYAIF-XMMPIXPASA-N 0 0 456.030 4.831 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001360161887 1065060701 /nfs/dbraw/zinc/06/07/01/1065060701.db2.gz IIMSYZKPYFKXRG-INIZCTEOSA-N 0 0 466.636 4.847 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360161878 1065060726 /nfs/dbraw/zinc/06/07/26/1065060726.db2.gz HYRGEHSQQBFAQD-IEZWGBDMSA-N 0 0 467.536 4.688 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc1 ZINC001435913992 1065060792 /nfs/dbraw/zinc/06/07/92/1065060792.db2.gz UAFHBNDCHVSGDP-CQSZACIVSA-N 0 0 454.386 4.523 20 0 JJADRN CSc1cc(C)c(C(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)o1 ZINC001435914177 1065060867 /nfs/dbraw/zinc/06/08/67/1065060867.db2.gz PSEWXRZVOQADLD-HNNXBMFYSA-N 0 0 454.386 4.902 20 0 JJADRN Cc1ccc2oc(C(=O)N(C)Cc3cccc(Br)c3OC[C@H]3CCCO3)cc2n1 ZINC001435913867 1065060946 /nfs/dbraw/zinc/06/09/46/1065060946.db2.gz NQKVEPCGDHBUDO-MRXNPFEDSA-N 0 0 459.340 4.729 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)[C@@H]2SCCc3sccc32)c2ccc(Cl)cc2)CCO1 ZINC001360162389 1065061310 /nfs/dbraw/zinc/06/13/10/1065061310.db2.gz XMKWAQSOJGVVMR-UYAOXDASSA-N 0 0 451.057 4.700 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001360163097 1065061814 /nfs/dbraw/zinc/06/18/14/1065061814.db2.gz ZFZQJXYTIJZIHC-APWZRJJASA-N 0 0 475.062 4.632 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC001435917343 1065062490 /nfs/dbraw/zinc/06/24/90/1065062490.db2.gz JJACTSQMRLQRHS-KDOFPFPSSA-N 0 0 450.988 4.949 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC001435917342 1065062502 /nfs/dbraw/zinc/06/25/02/1065062502.db2.gz JJACTSQMRLQRHS-KBXCAEBGSA-N 0 0 450.988 4.949 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N[C@H]1CC[C@@H](OC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435919501 1065062915 /nfs/dbraw/zinc/06/29/15/1065062915.db2.gz KYMGCPFKNSYJPT-RBUKOAKNSA-N 0 0 454.954 4.526 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001360169347 1065063674 /nfs/dbraw/zinc/06/36/74/1065063674.db2.gz BKXFDESLNIBAAR-WMZOPIPTSA-N 0 0 488.455 4.680 20 0 JJADRN COC[C@@]1(C(=O)NCc2ccccc2Sc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360169224 1065063772 /nfs/dbraw/zinc/06/37/72/1065063772.db2.gz XWJKETAKTITBIQ-RUZDIDTESA-N 0 0 456.608 4.728 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC1(C)CCCC1 ZINC001360169739 1065064130 /nfs/dbraw/zinc/06/41/30/1065064130.db2.gz QFGMRIYZMSBOJB-UHFFFAOYSA-N 0 0 455.500 4.791 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360169801 1065064172 /nfs/dbraw/zinc/06/41/72/1065064172.db2.gz SQVHELSPCPFAAC-YLJYHZDGSA-N 0 0 477.600 4.561 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1NC(=O)Nc1ccccc1 ZINC001435920714 1065064227 /nfs/dbraw/zinc/06/42/27/1065064227.db2.gz JNEMQLZIHHSOIK-UHFFFAOYSA-N 0 0 457.939 4.948 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001435921087 1065064342 /nfs/dbraw/zinc/06/43/42/1065064342.db2.gz ABPLMVGKONRFHU-SJLPKXTDSA-N 0 0 454.958 4.522 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c2ccccc21 ZINC001435921030 1065064389 /nfs/dbraw/zinc/06/43/89/1065064389.db2.gz OJAKUMHPXFASNK-BBHUYCHWSA-N 0 0 454.611 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC001435921820 1065064729 /nfs/dbraw/zinc/06/47/29/1065064729.db2.gz RNNYBMWYEKSKPN-GOSISDBHSA-N 0 0 458.427 4.908 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCCSc1ccccc1 ZINC001360171909 1065065149 /nfs/dbraw/zinc/06/51/49/1065065149.db2.gz CWRYJDZAOQSHBF-UHFFFAOYSA-N 0 0 498.600 4.710 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3C(=O)NC3CC3)s2)cc1 ZINC001360171462 1065065193 /nfs/dbraw/zinc/06/51/93/1065065193.db2.gz DYSUCEBTLIVZEI-UHFFFAOYSA-N 0 0 451.548 4.670 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)c(Cl)c1 ZINC001435922613 1065065410 /nfs/dbraw/zinc/06/54/10/1065065410.db2.gz GHLJQUIOGOUXSA-UHFFFAOYSA-N 0 0 455.692 4.710 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC001435924155 1065065822 /nfs/dbraw/zinc/06/58/22/1065065822.db2.gz IQSIVPYDVSSMFF-OKILXGFUSA-N 0 0 459.461 4.730 20 0 JJADRN O=C(c1cc2c(cncc2Br)s1)N1CCOc2ccc(Br)cc21 ZINC001435923614 1065065924 /nfs/dbraw/zinc/06/59/24/1065065924.db2.gz CJPOCQVXBBREEV-UHFFFAOYSA-N 0 0 454.143 4.861 20 0 JJADRN CCC[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001360173672 1065065890 /nfs/dbraw/zinc/06/58/90/1065065890.db2.gz HYCVMZKCIGWHEC-LJQANCHMSA-N 0 0 451.792 4.923 20 0 JJADRN C[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC001360173870 1065066011 /nfs/dbraw/zinc/06/60/11/1065066011.db2.gz QOMSWOAWGIJCPO-LBPRGKRZSA-N 0 0 458.183 4.796 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c(C)cc1C ZINC001435924342 1065066197 /nfs/dbraw/zinc/06/61/97/1065066197.db2.gz YMTGDGQOQPPFML-UHFFFAOYSA-N 0 0 452.820 4.595 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001435924815 1065066215 /nfs/dbraw/zinc/06/62/15/1065066215.db2.gz LMXBEUYXKFBNLE-MZEUMTGBSA-N 0 0 456.970 4.644 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)cs2)cc1 ZINC001435926875 1065067085 /nfs/dbraw/zinc/06/70/85/1065067085.db2.gz IVTZQLJOXXLJBC-SFHVURJKSA-N 0 0 459.493 4.602 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)cs2)cc1 ZINC001435926874 1065067186 /nfs/dbraw/zinc/06/71/86/1065067186.db2.gz IVTZQLJOXXLJBC-GOSISDBHSA-N 0 0 459.493 4.602 20 0 JJADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)c2cccs2)c1 ZINC001360178580 1065067288 /nfs/dbraw/zinc/06/72/88/1065067288.db2.gz VYBCXLFTCRYANY-KRWDZBQOSA-N 0 0 454.617 4.596 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccnc1Sc1ccccc1 ZINC001435928269 1065067733 /nfs/dbraw/zinc/06/77/33/1065067733.db2.gz ULZDWQBZYQPZNE-GOSISDBHSA-N 0 0 457.477 4.787 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1)N1CCOCC1 ZINC001360179539 1065067905 /nfs/dbraw/zinc/06/79/05/1065067905.db2.gz NBZDPTBCRINFIA-KRWDZBQOSA-N 0 0 458.002 4.648 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545894254 1065068039 /nfs/dbraw/zinc/06/80/39/1065068039.db2.gz SGIWIZOESCVDGU-BQFCYCMXSA-N 0 0 463.548 4.936 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC001360180601 1065068421 /nfs/dbraw/zinc/06/84/21/1065068421.db2.gz GDMHKIJSPSPHCJ-MRXNPFEDSA-N 0 0 457.577 4.572 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cnc(CCC(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 ZINC001435929973 1065068439 /nfs/dbraw/zinc/06/84/39/1065068439.db2.gz HOECWUOSMXPTGH-INIZCTEOSA-N 0 0 455.285 4.763 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)Cc1nc(-c2cccs2)oc1C)c1ccc(Cl)c(Cl)c1 ZINC001435930864 1065068676 /nfs/dbraw/zinc/06/86/76/1065068676.db2.gz MNADBAWHKLJMBQ-FQEVSTJZSA-N 0 0 453.347 4.765 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)Cc2cccs2)n1Cc1ccccc1F ZINC001360182581 1065069292 /nfs/dbraw/zinc/06/92/92/1065069292.db2.gz BJFBCDQOPFYVCT-UHFFFAOYSA-N 0 0 469.611 4.934 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@H](C)c1nccs1 ZINC001360182796 1065069574 /nfs/dbraw/zinc/06/95/74/1065069574.db2.gz DSKPVNPTIMGHLT-INIZCTEOSA-N 0 0 470.624 4.538 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)nc2F)cc1OC ZINC001435932328 1065069623 /nfs/dbraw/zinc/06/96/23/1065069623.db2.gz XKATWQQDTXJZNN-UHFFFAOYSA-N 0 0 450.445 4.541 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001360182610 1065069719 /nfs/dbraw/zinc/06/97/19/1065069719.db2.gz WFXDSMWBGQYWDJ-HDICACEKSA-N 0 0 455.986 4.832 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1cccc(C(F)(F)F)c1 ZINC001360182778 1065069748 /nfs/dbraw/zinc/06/97/48/1065069748.db2.gz DHVMIRUKNWJKFL-UHFFFAOYSA-N 0 0 465.545 4.960 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1coc(-c2ccccc2)n1 ZINC001360182838 1065069758 /nfs/dbraw/zinc/06/97/58/1065069758.db2.gz FTZYLKADFPHUOK-UHFFFAOYSA-N 0 0 464.595 4.596 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1Cc1cccc(C(F)F)c1 ZINC001360183079 1065070119 /nfs/dbraw/zinc/07/01/19/1065070119.db2.gz NYBHBJRMXUPYJO-IBGZPJMESA-N 0 0 489.592 4.649 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccccc2)C2CC2)n1Cc1cscc1C(F)(F)F ZINC001360183039 1065070194 /nfs/dbraw/zinc/07/01/94/1065070194.db2.gz MHFSILJCRLZIJQ-UHFFFAOYSA-N 0 0 463.529 4.714 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@H]1CCSC1(C)C ZINC001360183192 1065070280 /nfs/dbraw/zinc/07/02/80/1065070280.db2.gz QLBLEIUJMXNWTK-QGZVFWFLSA-N 0 0 473.668 4.809 20 0 JJADRN COc1ccc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cc1OC(F)F ZINC001435934783 1065070720 /nfs/dbraw/zinc/07/07/20/1065070720.db2.gz NZMINPXBHDWJMZ-FQEVSTJZSA-N 0 0 455.457 4.554 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360183379 1065070752 /nfs/dbraw/zinc/07/07/52/1065070752.db2.gz VBVVXZCAGWUNCY-NRFANRHFSA-N 0 0 499.656 4.780 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360184505 1065071181 /nfs/dbraw/zinc/07/11/81/1065071181.db2.gz MMIYVVHTDPEWBE-UHFFFAOYSA-N 0 0 455.569 4.802 20 0 JJADRN CN(C)[C@@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935582 1065071371 /nfs/dbraw/zinc/07/13/71/1065071371.db2.gz YLNBHSSHHPMTGG-DNQXCXABSA-N 0 0 450.966 4.586 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC001360185611 1065071691 /nfs/dbraw/zinc/07/16/91/1065071691.db2.gz VMHWBNBFAFLMBY-AREMUKBSSA-N 0 0 453.586 4.931 20 0 JJADRN COc1cc(C)c(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1F ZINC001435936723 1065071647 /nfs/dbraw/zinc/07/16/47/1065071647.db2.gz FGLRHMRWBZNBSG-UHFFFAOYSA-N 0 0 451.527 4.742 20 0 JJADRN O=C(CCCOCCc1ccccc1)NCc1cc(Br)ccc1Br ZINC001435937202 1065071850 /nfs/dbraw/zinc/07/18/50/1065071850.db2.gz MUCQSVNOOOFJJT-UHFFFAOYSA-N 0 0 455.190 4.867 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360187604 1065072013 /nfs/dbraw/zinc/07/20/13/1065072013.db2.gz FRYSMBVCULBYRI-CVEARBPZSA-N 0 0 451.792 4.775 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001435937135 1065072290 /nfs/dbraw/zinc/07/22/90/1065072290.db2.gz CNZZBHDLSOTXIB-HXUWFJFHSA-N 0 0 455.308 4.704 20 0 JJADRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc(Br)cn2ccnc12 ZINC001435938024 1065072637 /nfs/dbraw/zinc/07/26/37/1065072637.db2.gz PKXGIQLYHFHYID-UHFFFAOYSA-N 0 0 452.696 4.660 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1Cc1ccsc1Br ZINC001360188740 1065073022 /nfs/dbraw/zinc/07/30/22/1065073022.db2.gz MPMZDUCRSIHUNY-CRAIPNDOSA-N 0 0 488.455 4.671 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC001360188784 1065073123 /nfs/dbraw/zinc/07/31/23/1065073123.db2.gz WEZVGMQMFKEBFE-CCLHPLFOSA-N 0 0 456.586 4.978 20 0 JJADRN COC(=O)[C@H](NC(=O)C/C=C/c1ccc(Br)cc1)c1ccc(OC)c(Cl)c1 ZINC001435939020 1065073178 /nfs/dbraw/zinc/07/31/78/1065073178.db2.gz AVEZQOUXNVGOJC-GNAXCBTBSA-N 0 0 452.732 4.545 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCCN(C)C(=O)c1ccncc1 ZINC001360189815 1065073620 /nfs/dbraw/zinc/07/36/20/1065073620.db2.gz GDJAQXACEKHQFS-OAHLLOKOSA-N 0 0 456.999 4.897 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2cnn(C(C)(C)C)c2Br)c1 ZINC001360189475 1065073643 /nfs/dbraw/zinc/07/36/43/1065073643.db2.gz AGXROAPDOURWQR-UHFFFAOYSA-N 0 0 452.349 4.645 20 0 JJADRN CC(C)(C)CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001360189507 1065073656 /nfs/dbraw/zinc/07/36/56/1065073656.db2.gz ANWWOVRVXYJVAU-UHFFFAOYSA-N 0 0 451.032 4.864 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001360189822 1065073678 /nfs/dbraw/zinc/07/36/78/1065073678.db2.gz GIFJASCNHWXYKY-XJKSGUPXSA-N 0 0 457.434 4.947 20 0 JJADRN Cc1ccc(SC2(C(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CCCC2)cc1 ZINC001435939695 1065073673 /nfs/dbraw/zinc/07/36/73/1065073673.db2.gz DSZZQGZEORZSGZ-JOCHJYFZSA-N 0 0 458.574 4.986 20 0 JJADRN CCC1(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CCC(F)(F)CC1 ZINC001435940158 1065073804 /nfs/dbraw/zinc/07/38/04/1065073804.db2.gz JCUYXBSKVPKVJX-UHFFFAOYSA-N 0 0 456.489 4.906 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccnc2-c2ccc(C)s2)cc1 ZINC001435940253 1065074146 /nfs/dbraw/zinc/07/41/46/1065074146.db2.gz IGYVSSFOIWCBGH-UHFFFAOYSA-N 0 0 451.577 4.747 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2cc(Br)c3nccnc3c2)c1 ZINC001360189965 1065074316 /nfs/dbraw/zinc/07/43/16/1065074316.db2.gz HYZOCAASRVUGND-UHFFFAOYSA-N 0 0 458.312 4.636 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001360189997 1065074332 /nfs/dbraw/zinc/07/43/32/1065074332.db2.gz IIQFKMXSZSQVLR-XWIAVFTESA-N 0 0 459.999 4.514 20 0 JJADRN Cn1c(CNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)nc2cccc(Cl)c21 ZINC001435941602 1065074706 /nfs/dbraw/zinc/07/47/06/1065074706.db2.gz OLJSCSNUBVXELO-IBGZPJMESA-N 0 0 454.958 4.725 20 0 JJADRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001360190261 1065074695 /nfs/dbraw/zinc/07/46/95/1065074695.db2.gz QDNWSXNKGDDNQK-UHFFFAOYSA-N 0 0 454.514 4.696 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)[C@H]1c1cccc(C)c1 ZINC001360190201 1065074780 /nfs/dbraw/zinc/07/47/80/1065074780.db2.gz OFEPTMLZDGVVNO-JTHBVZDNSA-N 0 0 452.551 4.535 20 0 JJADRN O=C(CCCn1ccc2cc(Cl)ccc21)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001435942898 1065075032 /nfs/dbraw/zinc/07/50/32/1065075032.db2.gz SBRAAHMXCBPXDV-OAQYLSRUSA-N 0 0 459.924 4.661 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCSCc1ccccc1 ZINC001360190648 1065075190 /nfs/dbraw/zinc/07/51/90/1065075190.db2.gz CETZHQIBLFNJIQ-UHFFFAOYSA-N 0 0 467.639 4.532 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC(N)=O ZINC001492597010 1065075267 /nfs/dbraw/zinc/07/52/67/1065075267.db2.gz QFDRMNLZGXZILA-OALUTQOASA-N 0 0 481.666 4.752 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001435944437 1065075573 /nfs/dbraw/zinc/07/55/73/1065075573.db2.gz PGKDEYWZDBKDOI-CYBMUJFWSA-N 0 0 456.867 4.945 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001360192147 1065075803 /nfs/dbraw/zinc/07/58/03/1065075803.db2.gz OZTXSSCNJOHVMZ-PXDATVDWSA-N 0 0 458.558 4.677 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC001360191905 1065075898 /nfs/dbraw/zinc/07/58/98/1065075898.db2.gz LAVRGBPKFLVOOV-HXUWFJFHSA-N 0 0 456.340 4.542 20 0 JJADRN O=C(CSc1ccc2c(c1)OCCO2)N1CCCc2cc(Br)cc(Cl)c21 ZINC001360193783 1065076366 /nfs/dbraw/zinc/07/63/66/1065076366.db2.gz RWPGDMOOLYYDPU-UHFFFAOYSA-N 0 0 454.773 4.945 20 0 JJADRN CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1cccc(Cl)c1Cl ZINC001435948691 1065077691 /nfs/dbraw/zinc/07/76/91/1065077691.db2.gz XVFDOVDLOJZVOQ-CYBMUJFWSA-N 0 0 453.370 4.996 20 0 JJADRN CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCCN(c2ccccc2)C1 ZINC001360198525 1065077697 /nfs/dbraw/zinc/07/76/97/1065077697.db2.gz YWLAJLCTTOFQQY-INIZCTEOSA-N 0 0 452.190 4.953 20 0 JJADRN CCCc1nc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)s1 ZINC001435950212 1065078114 /nfs/dbraw/zinc/07/81/14/1065078114.db2.gz ZCAGQHQCDRUTGD-UHFFFAOYSA-N 0 0 450.593 4.778 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360200781 1065078083 /nfs/dbraw/zinc/07/80/83/1065078083.db2.gz JELAHOFHGPVZEC-OAGGEKHMSA-N 0 0 463.495 4.582 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]4C)n2n1 ZINC001435952359 1065078568 /nfs/dbraw/zinc/07/85/68/1065078568.db2.gz WKEXWEOBFCGGTO-ZIAGYGMSSA-N 0 0 456.568 4.637 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1CCSCc1ccccc1 ZINC001360201250 1065078567 /nfs/dbraw/zinc/07/85/67/1065078567.db2.gz PLPCZMYVGIIURY-UHFFFAOYSA-N 0 0 469.680 4.795 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C[C@@H](C)n1cc(Br)cn1 ZINC001435954062 1065078937 /nfs/dbraw/zinc/07/89/37/1065078937.db2.gz PSAVIVIDCDMGPB-CJNGLKHVSA-N 0 0 457.210 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)OCc1nc(-c2ccc(F)cc2)no1 ZINC001435954268 1065079325 /nfs/dbraw/zinc/07/93/25/1065079325.db2.gz UEYUMZPOEACFJF-LJQANCHMSA-N 0 0 453.470 4.801 20 0 JJADRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C1CC1 ZINC001435954522 1065079337 /nfs/dbraw/zinc/07/93/37/1065079337.db2.gz AJDQZTQZELNRGR-UHFFFAOYSA-N 0 0 450.963 4.704 20 0 JJADRN C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc2ncsc2c1 ZINC001435954658 1065079425 /nfs/dbraw/zinc/07/94/25/1065079425.db2.gz GHRZYKJJQMIEEB-MGPUTAFESA-N 0 0 453.633 4.986 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCSC[C@@H]1c1nccs1 ZINC001435955021 1065079950 /nfs/dbraw/zinc/07/99/50/1065079950.db2.gz CPMLJQAGJWIXIY-MRXNPFEDSA-N 0 0 452.026 4.691 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(Br)c(Cl)c3F)sc21 ZINC001360205911 1065080113 /nfs/dbraw/zinc/08/01/13/1065080113.db2.gz QOUITKQJCXTDSJ-UHFFFAOYSA-N 0 0 458.696 4.594 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 ZINC001435955744 1065080362 /nfs/dbraw/zinc/08/03/62/1065080362.db2.gz HRKNHWHGXGQKFA-UYAOXDASSA-N 0 0 457.665 4.544 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H](C)c3ccc4ncsc4c3)CC2=O)ccc1Br ZINC001435956250 1065080386 /nfs/dbraw/zinc/08/03/86/1065080386.db2.gz YWSXXBRSUULLQM-UKRRQHHQSA-N 0 0 458.381 4.598 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001360207459 1065080434 /nfs/dbraw/zinc/08/04/34/1065080434.db2.gz DDEUILKPHUSOBH-AJTFRIOCSA-N 0 0 450.579 4.528 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1C(=O)NC(C)C ZINC001360207413 1065080618 /nfs/dbraw/zinc/08/06/18/1065080618.db2.gz AVKMVWIWQZXDNE-UHFFFAOYSA-N 0 0 454.162 4.911 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccc(Br)cc43)s2)cc1 ZINC001360208317 1065080954 /nfs/dbraw/zinc/08/09/54/1065080954.db2.gz ZFFWJMIJUPHKMA-UHFFFAOYSA-N 0 0 457.349 4.974 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1cc2ccccc2o1 ZINC001545894470 1065081511 /nfs/dbraw/zinc/08/15/11/1065081511.db2.gz XHFGUOFYZRRCNW-KRWDZBQOSA-N 0 0 459.541 4.667 20 0 JJADRN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCSC[C@H]1c1nccs1 ZINC001435957985 1065081539 /nfs/dbraw/zinc/08/15/39/1065081539.db2.gz WOYGNDZEVLKQAY-ZDUSSCGKSA-N 0 0 453.376 4.963 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3csc(S(C)(=O)=O)c3)cc2C)cc1 ZINC001360211724 1065081779 /nfs/dbraw/zinc/08/17/79/1065081779.db2.gz FVSGEPWRYUTZPQ-UHFFFAOYSA-N 0 0 457.617 4.928 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360212351 1065082183 /nfs/dbraw/zinc/08/21/83/1065082183.db2.gz YXKOLKJZPIDRPL-IRXDYDNUSA-N 0 0 481.975 4.553 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cccc(N4CCNC4=O)c3)cc2C)cc1 ZINC001360212105 1065082224 /nfs/dbraw/zinc/08/22/24/1065082224.db2.gz NLGLQHMHKMINTK-UHFFFAOYSA-N 0 0 457.574 4.993 20 0 JJADRN Cn1cnc2cc(C(=O)N(c3ccccc3F)C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001360212216 1065082270 /nfs/dbraw/zinc/08/22/70/1065082270.db2.gz OYSQCZOLOAFKJB-UHFFFAOYSA-N 0 0 452.530 4.759 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OCc2ccccc2)c1 ZINC001435959037 1065082705 /nfs/dbraw/zinc/08/27/05/1065082705.db2.gz ZFJHPEVXTDCOFF-KRWDZBQOSA-N 0 0 452.457 4.544 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360214586 1065083230 /nfs/dbraw/zinc/08/32/30/1065083230.db2.gz NCQSZGLTZGTTLI-QFIPXVFZSA-N 0 0 452.595 4.880 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC001435961396 1065083546 /nfs/dbraw/zinc/08/35/46/1065083546.db2.gz KZEJODKVOQKKBU-OCCSQVGLSA-N 0 0 454.354 4.944 20 0 JJADRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC001435962886 1065084009 /nfs/dbraw/zinc/08/40/09/1065084009.db2.gz JLPFJCCETZZZRA-UHFFFAOYSA-N 0 0 453.468 4.750 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)cc2)n1 ZINC001360216224 1065084159 /nfs/dbraw/zinc/08/41/59/1065084159.db2.gz CJKQADBDZLLBRZ-WOJBJXKFSA-N 0 0 458.562 4.873 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(C2CC2)c2ccc(F)cc21)c1ccc(F)cc1 ZINC001435964676 1065084230 /nfs/dbraw/zinc/08/42/30/1065084230.db2.gz FGPHOMHYZVQAIB-FQEVSTJZSA-N 0 0 457.521 4.589 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3ccccc3-n3ncc(Cl)c(Cl)c3=O)cc2)n1 ZINC001360216906 1065084608 /nfs/dbraw/zinc/08/46/08/1065084608.db2.gz QXBDDVKMWFYSRP-UHFFFAOYSA-N 0 0 452.301 4.557 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001435965677 1065084968 /nfs/dbraw/zinc/08/49/68/1065084968.db2.gz KANDYHOPFNLRJA-HNNXBMFYSA-N 0 0 459.281 4.935 20 0 JJADRN O=C(Oc1ccc(Br)c(F)c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001360217625 1065085119 /nfs/dbraw/zinc/08/51/19/1065085119.db2.gz RMKQZZROBFEIJR-UHFFFAOYSA-N 0 0 454.251 4.604 20 0 JJADRN CCn1ncc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c1Br ZINC001435967760 1065085393 /nfs/dbraw/zinc/08/53/93/1065085393.db2.gz KUTJCOOSPWBBPJ-HNNXBMFYSA-N 0 0 459.157 4.838 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001360218018 1065085558 /nfs/dbraw/zinc/08/55/58/1065085558.db2.gz AVIDHWQCCJXVEM-OAHLLOKOSA-N 0 0 461.035 4.600 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001435967881 1065085669 /nfs/dbraw/zinc/08/56/69/1065085669.db2.gz XEMSFGBKSZYBCG-PBHICJAKSA-N 0 0 451.514 4.540 20 0 JJADRN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360220543 1065086142 /nfs/dbraw/zinc/08/61/42/1065086142.db2.gz LBLPOUYUAWWECC-QFIPXVFZSA-N 0 0 454.860 4.510 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001492597162 1065086489 /nfs/dbraw/zinc/08/64/89/1065086489.db2.gz SXPKHBOQFZIXEN-UXHICEINSA-N 0 0 454.644 4.517 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1CCSC(F)(F)F ZINC001360222159 1065086669 /nfs/dbraw/zinc/08/66/69/1065086669.db2.gz LBJYUFVDJGANAA-MRXNPFEDSA-N 0 0 480.560 4.535 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1CCCC(C)(C)C ZINC001360222401 1065086945 /nfs/dbraw/zinc/08/69/45/1065086945.db2.gz QOZNHYXBFCNIGD-GOSISDBHSA-N 0 0 451.619 4.503 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001360223059 1065087135 /nfs/dbraw/zinc/08/71/35/1065087135.db2.gz DPTOPLKBVXEQLX-IBGZPJMESA-N 0 0 469.655 4.658 20 0 JJADRN Cc1ccc2c(c1)nc(CNC(=O)c1cc(Oc3cccc(Br)c3)ccn1)n2C ZINC001435972011 1065087309 /nfs/dbraw/zinc/08/73/09/1065087309.db2.gz BHRRRECGTMGGLI-UHFFFAOYSA-N 0 0 451.324 4.762 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC001435972012 1065087384 /nfs/dbraw/zinc/08/73/84/1065087384.db2.gz BHXVKYRMUOTOHS-UHFFFAOYSA-N 0 0 450.608 4.903 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1cc2ccccc2s1 ZINC001360223647 1065087572 /nfs/dbraw/zinc/08/75/72/1065087572.db2.gz PSBXKXZGOKASEE-IBGZPJMESA-N 0 0 469.655 4.658 20 0 JJADRN O=C(Nc1cccc2nccn21)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001360224325 1065087649 /nfs/dbraw/zinc/08/76/49/1065087649.db2.gz GAMVCASJULXFHZ-UHFFFAOYSA-N 0 0 450.161 4.726 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360224103 1065087698 /nfs/dbraw/zinc/08/76/98/1065087698.db2.gz ZEVSISRBIPGZBR-MOPGFXCFSA-N 0 0 499.553 4.821 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001435973637 1065087876 /nfs/dbraw/zinc/08/78/76/1065087876.db2.gz CSLZRKJGGCEEFT-IBGZPJMESA-N 0 0 451.441 4.720 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(C)(C)C)c(OC)c1 ZINC001435974359 1065088161 /nfs/dbraw/zinc/08/81/61/1065088161.db2.gz BJLJUUYCTYIZPK-HXUWFJFHSA-N 0 0 456.558 4.522 20 0 JJADRN Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1-c1ccc(F)cc1 ZINC001435974871 1065088202 /nfs/dbraw/zinc/08/82/02/1065088202.db2.gz HGYKDAYFNSLYRO-NHCUHLMSSA-N 0 0 454.567 4.524 20 0 JJADRN Cc1sc(=O)n(CC(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1-c1ccc(F)cc1 ZINC001435974866 1065088302 /nfs/dbraw/zinc/08/83/02/1065088302.db2.gz HGYKDAYFNSLYRO-LEWJYISDSA-N 0 0 454.567 4.524 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360226096 1065088995 /nfs/dbraw/zinc/08/89/95/1065088995.db2.gz GQXRYRMWTWYHHI-VQTJNVASSA-N 0 0 487.073 4.776 20 0 JJADRN CCOC(=O)CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)(C)C ZINC001435976772 1065089134 /nfs/dbraw/zinc/08/91/34/1065089134.db2.gz MWONQTPYOAQRAA-UHFFFAOYSA-N 0 0 453.970 4.925 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360227242 1065089496 /nfs/dbraw/zinc/08/94/96/1065089496.db2.gz LUSUZZMXUYCPFZ-UHOSZYNNSA-N 0 0 478.410 4.659 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1Cc1cc(Br)cs1 ZINC001360227283 1065089606 /nfs/dbraw/zinc/08/96/06/1065089606.db2.gz VNUMKTAQCYAYPW-HNNXBMFYSA-N 0 0 480.457 4.692 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21)c1ccccc1 ZINC001435976863 1065089810 /nfs/dbraw/zinc/08/98/10/1065089810.db2.gz PGQQFUQUJHBEKR-HXUWFJFHSA-N 0 0 455.986 4.964 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCc1csc(C(C)C)n1 ZINC001360227599 1065090197 /nfs/dbraw/zinc/09/01/97/1065090197.db2.gz YFFLKQPOZMBTJF-FQEVSTJZSA-N 0 0 470.618 4.720 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c(OC)c1 ZINC001360228203 1065090980 /nfs/dbraw/zinc/09/09/80/1065090980.db2.gz MGYKGBVTMDXBAG-UHFFFAOYSA-N 0 0 456.564 4.596 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)n2)cc1 ZINC001435980510 1065091192 /nfs/dbraw/zinc/09/11/92/1065091192.db2.gz NIQDODTWKBJKMZ-UHFFFAOYSA-N 0 0 455.440 4.705 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCCCCC2)n1CC1(CCOCc2ccccc2)CC1 ZINC001360229625 1065091497 /nfs/dbraw/zinc/09/14/97/1065091497.db2.gz PSIADGWGJGUKIP-UHFFFAOYSA-N 0 0 453.631 4.574 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NCCc3ccc(Br)cc3F)c3c2CCCC3)cc1 ZINC001360228737 1065091512 /nfs/dbraw/zinc/09/15/12/1065091512.db2.gz WGHYNLVPWXDDBF-UHFFFAOYSA-N 0 0 456.359 4.934 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@@H]4CCC[C@@H](C(C)C)CC4)cnc32)c(OC)c1 ZINC001435981871 1065091657 /nfs/dbraw/zinc/09/16/57/1065091657.db2.gz QLHXEKNZQOFDGK-XMSQKQJNSA-N 0 0 450.583 4.832 20 0 JJADRN Cc1cc(C2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccco3)CC2)ccc1Br ZINC001435983690 1065092144 /nfs/dbraw/zinc/09/21/44/1065092144.db2.gz PQSLTCFZTXBHLH-FQEVSTJZSA-N 0 0 459.384 4.751 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360231661 1065092226 /nfs/dbraw/zinc/09/22/26/1065092226.db2.gz PNDQRFGUDYCNDU-ZACQAIPSSA-N 0 0 469.577 4.983 20 0 JJADRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC(F)F)cc1 ZINC001360232731 1065092708 /nfs/dbraw/zinc/09/27/08/1065092708.db2.gz UXTHOUFPTXMION-JSGCOSHPSA-N 0 0 454.267 4.708 20 0 JJADRN C[C@@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1ccc(OC(F)F)cc1 ZINC001360232800 1065092735 /nfs/dbraw/zinc/09/27/35/1065092735.db2.gz XJSVFQWQNCBEDA-KWPCUBQOSA-N 0 0 452.417 4.837 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Br)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001435985891 1065092860 /nfs/dbraw/zinc/09/28/60/1065092860.db2.gz KTEWASUYQUKPQL-UHFFFAOYSA-N 0 0 453.688 4.597 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC(F)F)cc1 ZINC001360232732 1065092877 /nfs/dbraw/zinc/09/28/77/1065092877.db2.gz UXTHOUFPTXMION-OCCSQVGLSA-N 0 0 454.267 4.708 20 0 JJADRN C[C@@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1ccc(OC(F)F)cc1 ZINC001360232801 1065092898 /nfs/dbraw/zinc/09/28/98/1065092898.db2.gz XJSVFQWQNCBEDA-NPQOUYBPSA-N 0 0 452.417 4.837 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 ZINC001360232695 1065092906 /nfs/dbraw/zinc/09/29/06/1065092906.db2.gz STEFWJXHTVIBSX-INIZCTEOSA-N 0 0 453.507 4.689 20 0 JJADRN O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC001360233130 1065093279 /nfs/dbraw/zinc/09/32/79/1065093279.db2.gz FXJUSEVJZXODNC-VWLOTQADSA-N 0 0 454.636 4.987 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1C ZINC001435987048 1065094164 /nfs/dbraw/zinc/09/41/64/1065094164.db2.gz UCPPLWJHRPLWAB-QGZVFWFLSA-N 0 0 451.972 4.561 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nn1C1CCOCC1 ZINC001435987150 1065094193 /nfs/dbraw/zinc/09/41/93/1065094193.db2.gz JVPRVFFMDAOEPS-OAQYLSRUSA-N 0 0 454.571 4.697 20 0 JJADRN CCC(C)(C)c1ccc(OCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(C(C)(C)CC)c1 ZINC001360236503 1065094588 /nfs/dbraw/zinc/09/45/88/1065094588.db2.gz LNJFIVTWBUQCIU-SFHVURJKSA-N 0 0 456.549 4.720 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC001360239198 1065095164 /nfs/dbraw/zinc/09/51/64/1065095164.db2.gz NWPLPHJOXOYCCO-HFZDXXHNSA-N 0 0 457.574 4.720 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC001435989793 1065095781 /nfs/dbraw/zinc/09/57/81/1065095781.db2.gz HNGFPGLESRVMCL-MRXNPFEDSA-N 0 0 451.972 4.581 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC001360242376 1065096157 /nfs/dbraw/zinc/09/61/57/1065096157.db2.gz KJAHJEBXZKPIDT-IBGZPJMESA-N 0 0 459.359 4.712 20 0 JJADRN Cn1ccc(=O)c(C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)c1 ZINC001360242774 1065096297 /nfs/dbraw/zinc/09/62/97/1065096297.db2.gz PVHGZRHDFDFBRO-UHFFFAOYSA-N 0 0 453.336 4.745 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H]2CCC[C@@H]2Cc2cccc(Cl)c2)c1 ZINC001435990703 1065096133 /nfs/dbraw/zinc/09/61/33/1065096133.db2.gz VYXBPMVZJLKIQV-IIBYNOLFSA-N 0 0 453.963 4.734 20 0 JJADRN CCn1c(SCC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)nnc1-c1cccs1 ZINC001360243808 1065096535 /nfs/dbraw/zinc/09/65/35/1065096535.db2.gz WMSQTTOLEQTKTN-UHFFFAOYSA-N 0 0 458.506 4.849 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc2c(cc1Br)OCO2 ZINC001360243346 1065096650 /nfs/dbraw/zinc/09/66/50/1065096650.db2.gz XWHNVHIGPRUVCR-UHFFFAOYSA-N 0 0 454.342 4.966 20 0 JJADRN O=C(c1cc(I)ccc1F)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001360243657 1065096782 /nfs/dbraw/zinc/09/67/82/1065096782.db2.gz SUXIRCSXOSXJTP-UHFFFAOYSA-N 0 0 455.164 4.774 20 0 JJADRN CO[C@H](CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(F)(F)F ZINC001360244766 1065096828 /nfs/dbraw/zinc/09/68/28/1065096828.db2.gz ABPPRBRCFXGVSA-GOSISDBHSA-N 0 0 453.258 4.971 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360249437 1065098056 /nfs/dbraw/zinc/09/80/56/1065098056.db2.gz IEHKLSHAYVTWRE-MBSDFSHPSA-N 0 0 499.553 4.679 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)O[C@H]3CCC[C@@H]3Cc3cccc(Cl)c3)C2=O)c1 ZINC001435993940 1065098100 /nfs/dbraw/zinc/09/81/00/1065098100.db2.gz XZGUBPFIDOPWKB-QIJUGHKUSA-N 0 0 454.954 4.808 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360249495 1065098166 /nfs/dbraw/zinc/09/81/66/1065098166.db2.gz JICSESOIBDRQIZ-PXNSSMCTSA-N 0 0 496.002 4.863 20 0 JJADRN COCCC1(CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CCCCC1 ZINC001435994073 1065098315 /nfs/dbraw/zinc/09/83/15/1065098315.db2.gz AHRMHLXBQVCCBE-HEHNFIMWSA-N 0 0 451.596 4.503 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001360249363 1065098328 /nfs/dbraw/zinc/09/83/28/1065098328.db2.gz GSQUDBGQPYRJGC-VWLOTQADSA-N 0 0 469.655 4.515 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1CCCC(F)(F)F ZINC001360249898 1065098718 /nfs/dbraw/zinc/09/87/18/1065098718.db2.gz RBWUSKZQGFEEGO-INIZCTEOSA-N 0 0 494.345 4.644 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCC(C)(C)C1CC1 ZINC001360251233 1065099051 /nfs/dbraw/zinc/09/90/51/1065099051.db2.gz SDIYKYKSSFIORC-MRXNPFEDSA-N 0 0 466.051 4.535 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3)cc12 ZINC001360251868 1065099108 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ZINC001436024652 1065121505 /nfs/dbraw/zinc/12/15/05/1065121505.db2.gz DGEFNVGCAKKBNS-CQSZACIVSA-N 0 0 458.743 4.951 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2cccc(CSC3CCOCC3)c2)c1-c1ccccc1 ZINC001360280733 1065122164 /nfs/dbraw/zinc/12/21/64/1065122164.db2.gz VHKQXZWYZCQNMR-UHFFFAOYSA-N 0 0 454.617 4.936 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001436025735 1065122198 /nfs/dbraw/zinc/12/21/98/1065122198.db2.gz JUIYMVGPEPIMRQ-CQSZACIVSA-N 0 0 453.739 4.643 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001360282269 1065122740 /nfs/dbraw/zinc/12/27/40/1065122740.db2.gz SXSVMISNPANKEX-CVEARBPZSA-N 0 0 457.395 4.559 20 0 JJADRN Cc1c(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nnn1-c1ccccc1Cl ZINC001436027060 1065122873 /nfs/dbraw/zinc/12/28/73/1065122873.db2.gz CUZAKJRQIQPDSE-HXUWFJFHSA-N 0 0 452.839 4.959 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NCc2cc(C)cc(Cl)n2)cs1 ZINC001436028151 1065123528 /nfs/dbraw/zinc/12/35/28/1065123528.db2.gz GCUWOODMTFIJOU-UHFFFAOYSA-N 0 0 452.761 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2SCCc3ccccc32)[C@H](c2cccc(F)c2)C1 ZINC001436028975 1065124052 /nfs/dbraw/zinc/12/40/52/1065124052.db2.gz KEJGZRIWGOTDAH-FCHUYYIVSA-N 0 0 456.583 4.977 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccnn2CC2CCC2)cc1 ZINC001436028734 1065124124 /nfs/dbraw/zinc/12/41/24/1065124124.db2.gz IBBHACDTRYJMLT-HSZRJFAPSA-N 0 0 452.599 4.680 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360285343 1065124244 /nfs/dbraw/zinc/12/42/44/1065124244.db2.gz CKGUWIITPYVAIN-CYBMUJFWSA-N 0 0 467.973 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2OCCc3ccccc32)[C@@H](c2cccc(F)c2)C1 ZINC001436029069 1065124672 /nfs/dbraw/zinc/12/46/72/1065124672.db2.gz LBLUNQMBPZXWHX-DHIUTWEWSA-N 0 0 454.542 4.650 20 0 JJADRN CC(C)NC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC1CC1)C1CCCCC1 ZINC001360285534 1065124902 /nfs/dbraw/zinc/12/49/02/1065124902.db2.gz IAXKSFSGADZDNJ-SFHVURJKSA-N 0 0 457.594 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)[C@@H](c2cccc(F)c2)C1 ZINC001436029239 1065125380 /nfs/dbraw/zinc/12/53/80/1065125380.db2.gz MJZNCVWHVGHRTO-OAQYLSRUSA-N 0 0 456.489 4.561 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360286660 1065125566 /nfs/dbraw/zinc/12/55/66/1065125566.db2.gz NREWUNAEAFGRGY-PKTZIBPZSA-N 0 0 452.348 4.999 20 0 JJADRN Cn1cnc2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3Cl)c21 ZINC001436030490 1065126588 /nfs/dbraw/zinc/12/65/88/1065126588.db2.gz VTPFIBXIKQHAKT-HXUWFJFHSA-N 0 0 454.958 4.661 20 0 JJADRN CC[C@@H](C)c1ncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)cn1 ZINC001436031048 1065127280 /nfs/dbraw/zinc/12/72/80/1065127280.db2.gz JBTSMADXQLEFMY-MRXNPFEDSA-N 0 0 450.564 4.982 20 0 JJADRN CCc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)n1[C@@H](C)COC)CCC2 ZINC001360292482 1065127410 /nfs/dbraw/zinc/12/74/10/1065127410.db2.gz XNEODISHJLVJKS-SFHVURJKSA-N 0 0 450.608 4.786 20 0 JJADRN CCc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)n1[C@H](C)COC)CCC2 ZINC001360292477 1065127429 /nfs/dbraw/zinc/12/74/29/1065127429.db2.gz XNEODISHJLVJKS-GOSISDBHSA-N 0 0 450.608 4.786 20 0 JJADRN COC[C@@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)c1cccc(C(F)(F)F)c1 ZINC001360293559 1065128212 /nfs/dbraw/zinc/12/82/12/1065128212.db2.gz LAJWFNGRFCYDEH-QGZVFWFLSA-N 0 0 450.436 4.666 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1N=S(C)(C)=O ZINC001360293438 1065128329 /nfs/dbraw/zinc/12/83/29/1065128329.db2.gz ICKKDEARZRDDAZ-UHFFFAOYSA-N 0 0 452.576 4.776 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1OC ZINC001360293837 1065128833 /nfs/dbraw/zinc/12/88/33/1065128833.db2.gz UTYPYTAXJSHMKY-GFCCVEGCSA-N 0 0 453.445 4.985 20 0 JJADRN COCCCCN(C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc(Br)cn1 ZINC001436032651 1065129245 /nfs/dbraw/zinc/12/92/45/1065129245.db2.gz IMNMBBSVSJPARD-QGZVFWFLSA-N 0 0 455.299 4.704 20 0 JJADRN O=C(c1nc(Br)c2ccccn21)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436032985 1065129867 /nfs/dbraw/zinc/12/98/67/1065129867.db2.gz YZFMZWWINXCVHP-GOSISDBHSA-N 0 0 456.237 4.827 20 0 JJADRN COc1ccc(OCC(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cc1C ZINC001436033055 1065129976 /nfs/dbraw/zinc/12/99/76/1065129976.db2.gz ZWUKLJANTHIYKX-UHFFFAOYSA-N 0 0 459.315 4.912 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2=O)cc1 ZINC001360297213 1065130641 /nfs/dbraw/zinc/13/06/41/1065130641.db2.gz MYROMKDEHKJSQK-KCEHZKJRSA-N 0 0 452.620 4.564 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC001436034395 1065131375 /nfs/dbraw/zinc/13/13/75/1065131375.db2.gz POTQLSGOKKZWGF-KRWDZBQOSA-N 0 0 454.552 4.541 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001360297641 1065131593 /nfs/dbraw/zinc/13/15/93/1065131593.db2.gz YHYLNFDOYBFRDG-HKBQPEDESA-N 0 0 455.546 4.825 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001360297464 1065131644 /nfs/dbraw/zinc/13/16/44/1065131644.db2.gz UKXJYHFPMWWECO-UHFFFAOYSA-N 0 0 455.027 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(F)cc(Br)c3F)C2)C1 ZINC001436035152 1065131986 /nfs/dbraw/zinc/13/19/86/1065131986.db2.gz ZMFUIFBEAWNLCN-FQEVSTJZSA-N 0 0 459.331 4.591 20 0 JJADRN COCCCCN(C(=O)[C@H](C)[C@@H]1OCCc2sccc21)c1ccc(Br)cn1 ZINC001436035808 1065131994 /nfs/dbraw/zinc/13/19/94/1065131994.db2.gz QRCPPSBWQFDQPX-KUHUBIRLSA-N 0 0 453.402 4.615 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc2)n1 ZINC001360299980 1065133006 /nfs/dbraw/zinc/13/30/06/1065133006.db2.gz AYYQEEUCDONPPA-HNNXBMFYSA-N 0 0 452.511 4.795 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(Br)cs2)cs1)c1cccs1 ZINC001360300281 1065133017 /nfs/dbraw/zinc/13/30/17/1065133017.db2.gz KQZIUBRBEABHBJ-NSHDSACASA-N 0 0 456.412 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)C(C)(C)C ZINC001436038367 1065133404 /nfs/dbraw/zinc/13/34/04/1065133404.db2.gz JUOPXUABAIJKNT-ZDUSSCGKSA-N 0 0 451.764 4.911 20 0 JJADRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1cc2cccc(Cl)c2s1 ZINC001436038137 1065133538 /nfs/dbraw/zinc/13/35/38/1065133538.db2.gz PLDBGNSBCZFAGI-UHFFFAOYSA-N 0 0 452.761 4.801 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC001360300668 1065133455 /nfs/dbraw/zinc/13/34/55/1065133455.db2.gz WHDYHDGMKKMJTK-QXNWPYRLSA-N 0 0 450.629 4.723 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001360300670 1065133539 /nfs/dbraw/zinc/13/35/39/1065133539.db2.gz WHDYHDGMKKMJTK-XJFCNFDWSA-N 0 0 450.629 4.723 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cccn2ncc(Br)c12 ZINC001360300591 1065133564 /nfs/dbraw/zinc/13/35/64/1065133564.db2.gz UEHUFFGHQMSVMS-MUUNZHRXSA-N 0 0 454.349 4.657 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001360300398 1065133607 /nfs/dbraw/zinc/13/36/07/1065133607.db2.gz OENKAHPSXVEEMX-UHFFFAOYSA-N 0 0 455.319 4.525 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001436038969 1065134354 /nfs/dbraw/zinc/13/43/54/1065134354.db2.gz XHZGWIFNKSLUQQ-XMSQKQJNSA-N 0 0 453.380 4.737 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCC([C@H]3CC3(F)F)CC2)cc1 ZINC001360301726 1065134403 /nfs/dbraw/zinc/13/44/03/1065134403.db2.gz GGHYCEUBGYSQNV-HXUWFJFHSA-N 0 0 460.573 4.851 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc(N3CCOCC3)c(C)c2)cc1 ZINC001360302415 1065134987 /nfs/dbraw/zinc/13/49/87/1065134987.db2.gz CSPFVFGTLYHIFX-AHWVRZQESA-N 0 0 452.595 4.740 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)c(N3CCOCC3)c2)cc1 ZINC001360302365 1065134993 /nfs/dbraw/zinc/13/49/93/1065134993.db2.gz BJHQQCXHJPEKKQ-AOYPEHQESA-N 0 0 452.595 4.740 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCCc1ccc(C(C)C)cc1)C2=O ZINC001360302403 1065135026 /nfs/dbraw/zinc/13/50/26/1065135026.db2.gz CEIAAUBVJQNSKB-UHFFFAOYSA-N 0 0 455.643 4.776 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC2CCCCC2)cc1 ZINC001360302227 1065135049 /nfs/dbraw/zinc/13/50/49/1065135049.db2.gz XDYFLTXVPDQBHM-UHFFFAOYSA-N 0 0 463.630 4.878 20 0 JJADRN O=C(CSc1ccccc1C(=O)Oc1ccc2oc(=O)oc2c1)NC1CCCCCCC1 ZINC001436040805 1065135688 /nfs/dbraw/zinc/13/56/88/1065135688.db2.gz ZUHGFDIXISANRG-UHFFFAOYSA-N 0 0 455.532 4.926 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC2CC2)C2CCC2)c1 ZINC001436040990 1065135700 /nfs/dbraw/zinc/13/57/00/1065135700.db2.gz DCLLQFZMVRCOOR-UHFFFAOYSA-N 0 0 450.963 4.709 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)C(F)(F)c2cccc(Br)c2)c(OC)c1 ZINC001436041146 1065135737 /nfs/dbraw/zinc/13/57/37/1065135737.db2.gz GCSLJHRFSDNOOX-UHFFFAOYSA-N 0 0 454.311 4.997 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001436041374 1065135834 /nfs/dbraw/zinc/13/58/34/1065135834.db2.gz BUXROPDFSHWHHU-JOCHJYFZSA-N 0 0 451.979 4.788 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c12 ZINC001436042316 1065136440 /nfs/dbraw/zinc/13/64/40/1065136440.db2.gz AKJRCSWNDAYQDV-LJQANCHMSA-N 0 0 456.587 4.818 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC001436042427 1065136492 /nfs/dbraw/zinc/13/64/92/1065136492.db2.gz QIJXIDYZTZKKTP-UHFFFAOYSA-N 0 0 454.313 4.522 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001360304340 1065137081 /nfs/dbraw/zinc/13/70/81/1065137081.db2.gz IVXQBRBLXQZUTC-UHFFFAOYSA-N 0 0 499.541 4.541 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2CCC(CC(F)(F)F)CC2)cc1 ZINC001360304272 1065137246 /nfs/dbraw/zinc/13/72/46/1065137246.db2.gz HVLPRSOWEKGEGE-UHFFFAOYSA-N 0 0 478.563 4.978 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001360304285 1065137258 /nfs/dbraw/zinc/13/72/58/1065137258.db2.gz IBUJZNMDJZOQAH-UHFFFAOYSA-N 0 0 454.619 4.518 20 0 JJADRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cnn2c1OCCC2 ZINC001436043026 1065137294 /nfs/dbraw/zinc/13/72/94/1065137294.db2.gz SQPNTMHVOOATGN-NRFANRHFSA-N 0 0 459.468 4.967 20 0 JJADRN COc1cc(N2CCN(C(=O)c3sc(-c4ccc(Cl)s4)nc3C)CC2)ccc1F ZINC001436043165 1065137847 /nfs/dbraw/zinc/13/78/47/1065137847.db2.gz JEMLHYYFEHZSTE-UHFFFAOYSA-N 0 0 451.976 4.944 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccco2)cc1 ZINC001360304658 1065137866 /nfs/dbraw/zinc/13/78/66/1065137866.db2.gz OCCKLJXCYDURMB-PGRDOPGGSA-N 0 0 466.586 4.888 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001436043336 1065137963 /nfs/dbraw/zinc/13/79/63/1065137963.db2.gz WTRAHTJXZGRERG-UHFFFAOYSA-N 0 0 457.574 4.627 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)CCc3cc(Br)cs3)CC2)c1 ZINC001436044287 1065139453 /nfs/dbraw/zinc/13/94/53/1065139453.db2.gz RPDSGHZSMYLVIU-UHFFFAOYSA-N 0 0 456.377 4.948 20 0 JJADRN O=C(NCc1ccncc1OCC(F)(F)F)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001436045049 1065139882 /nfs/dbraw/zinc/13/98/82/1065139882.db2.gz QMRVCNSBNBEPAF-IBGZPJMESA-N 0 0 459.871 4.659 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccn2)cc1 ZINC001360305287 1065139992 /nfs/dbraw/zinc/13/99/92/1065139992.db2.gz ZLEIVIQNNMDRDK-UHFFFAOYSA-N 0 0 468.005 4.809 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(I)c(Cl)c1 ZINC001436045918 1065140674 /nfs/dbraw/zinc/14/06/74/1065140674.db2.gz PEQTVBYVZWVJRB-UHFFFAOYSA-N 0 0 453.629 4.822 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1ccccc1Br ZINC001436046566 1065141237 /nfs/dbraw/zinc/14/12/37/1065141237.db2.gz YCLYACWRSPLQSR-UHFFFAOYSA-N 0 0 450.501 4.637 20 0 JJADRN O=C(N1CCC(c2ccc(Br)cc2)CC1)C1(OCc2ccccc2)CCOCC1 ZINC001436046051 1065141314 /nfs/dbraw/zinc/14/13/14/1065141314.db2.gz QWVIJIFNUXAFIS-UHFFFAOYSA-N 0 0 458.396 4.921 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001436047498 1065141825 /nfs/dbraw/zinc/14/18/25/1065141825.db2.gz FWXUYBFLBGTOLG-UHFFFAOYSA-N 0 0 459.329 4.596 20 0 JJADRN CCCCc1nc(C)c(CC(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)s1 ZINC001436047917 1065141861 /nfs/dbraw/zinc/14/18/61/1065141861.db2.gz GLYUZILHOVBABX-UHFFFAOYSA-N 0 0 456.439 4.808 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)Cc1coc2cc(Cl)ccc12 ZINC001436047367 1065141931 /nfs/dbraw/zinc/14/19/31/1065141931.db2.gz CBRSKACGEXVCCZ-UHFFFAOYSA-N 0 0 459.731 4.631 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cccc(OC2CCCC2)c1 ZINC001436047850 1065142005 /nfs/dbraw/zinc/14/20/05/1065142005.db2.gz IOWSHEJJPRYSAI-UHFFFAOYSA-N 0 0 455.356 4.623 20 0 JJADRN O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2c(Cl)nccc2C(F)(F)F)CC1 ZINC001436047758 1065142021 /nfs/dbraw/zinc/14/20/21/1065142021.db2.gz HVQCAWMYOYZZKA-UHFFFAOYSA-N 0 0 453.873 4.567 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c(=O)[nH]1 ZINC001436049017 1065142478 /nfs/dbraw/zinc/14/24/78/1065142478.db2.gz RYCVZGNXODIBSX-UHFFFAOYSA-N 0 0 457.493 4.651 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC001360307162 1065142569 /nfs/dbraw/zinc/14/25/69/1065142569.db2.gz LFFOYEGBAGAGCN-IBGZPJMESA-N 0 0 450.560 4.863 20 0 JJADRN CC(C)c1c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cnn1-c1ccccc1Cl ZINC001360306980 1065142720 /nfs/dbraw/zinc/14/27/20/1065142720.db2.gz IXRIGZWMRBOVED-SFHVURJKSA-N 0 0 457.361 4.838 20 0 JJADRN CCCOc1cccc(CC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001360308314 1065143894 /nfs/dbraw/zinc/14/38/94/1065143894.db2.gz JMAFBLFYCGMFPR-UHFFFAOYSA-N 0 0 459.514 4.909 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC001436049804 1065144082 /nfs/dbraw/zinc/14/40/82/1065144082.db2.gz DDFOXXPMJPJEBI-RUZDIDTESA-N 0 0 458.961 4.607 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001436050734 1065144598 /nfs/dbraw/zinc/14/45/98/1065144598.db2.gz MEYRDLKZILVLHF-GJZGRUSLSA-N 0 0 456.864 4.517 20 0 JJADRN CCOc1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc(OCC)c1OCC ZINC001436050317 1065144634 /nfs/dbraw/zinc/14/46/34/1065144634.db2.gz XKLVFVKEJSPEGT-UHFFFAOYSA-N 0 0 456.558 4.689 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC001436051858 1065145249 /nfs/dbraw/zinc/14/52/49/1065145249.db2.gz BYSRCUOTFBHYSO-KRWDZBQOSA-N 0 0 456.340 4.697 20 0 JJADRN O=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001436051111 1065145268 /nfs/dbraw/zinc/14/52/68/1065145268.db2.gz VLPWRVSRSZBKDW-UHFFFAOYSA-N 0 0 452.404 4.643 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N(C)c1cccc2cccnc21 ZINC001436052559 1065146015 /nfs/dbraw/zinc/14/60/15/1065146015.db2.gz GMHQLLKQKNUHBL-UHFFFAOYSA-N 0 0 452.679 4.778 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001436052720 1065146059 /nfs/dbraw/zinc/14/60/59/1065146059.db2.gz ILHZMPVQKQLTAQ-MLFFRYNPSA-N 0 0 450.417 4.867 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)c3nc(C(F)(F)F)cs3)s2)cc1 ZINC001436053583 1065147412 /nfs/dbraw/zinc/14/74/12/1065147412.db2.gz GCXXLWNQOKYZKI-SNVBAGLBSA-N 0 0 455.483 4.975 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC001436054457 1065147496 /nfs/dbraw/zinc/14/74/96/1065147496.db2.gz SCHPYJFOSAPYGR-YFHOEESVSA-N 0 0 454.983 4.693 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 ZINC001436053463 1065147523 /nfs/dbraw/zinc/14/75/23/1065147523.db2.gz DFNKTJICBNNAJI-UHFFFAOYSA-N 0 0 457.534 4.924 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001360310510 1065147716 /nfs/dbraw/zinc/14/77/16/1065147716.db2.gz FBTFTUSIFJHOAD-UHFFFAOYSA-N 0 0 456.134 4.662 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1Oc1ccncc1 ZINC001436054596 1065147923 /nfs/dbraw/zinc/14/79/23/1065147923.db2.gz IOELWMKCBVTHEW-LJQANCHMSA-N 0 0 452.352 4.954 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cnn1-c1cccc(Cl)c1 ZINC001436054572 1065147941 /nfs/dbraw/zinc/14/79/41/1065147941.db2.gz INKFIVFUJSHEOS-KRWDZBQOSA-N 0 0 459.775 4.605 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 ZINC001360311172 1065148439 /nfs/dbraw/zinc/14/84/39/1065148439.db2.gz PJRJARFVNBRTNA-UHFFFAOYSA-N 0 0 451.386 4.995 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001360311128 1065148457 /nfs/dbraw/zinc/14/84/57/1065148457.db2.gz OYWCIHWIJGJXFV-TYPHKJRUSA-N 0 0 459.587 4.782 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 ZINC001436056316 1065148798 /nfs/dbraw/zinc/14/87/98/1065148798.db2.gz JSZROHUSSMVGLK-NEPJUHHUSA-N 0 0 455.146 4.793 20 0 JJADRN CCN(C(=O)CC1(CC(=O)N2CCOCC2)CCCC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001360316954 1065149848 /nfs/dbraw/zinc/14/98/48/1065149848.db2.gz BZMYZTNBOONBNJ-GOSISDBHSA-N 0 0 454.533 4.814 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)s2)cc1 ZINC001436057485 1065149945 /nfs/dbraw/zinc/14/99/45/1065149945.db2.gz KWOAXNGMSLMEKQ-UHFFFAOYSA-N 0 0 457.983 4.547 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001436058925 1065150489 /nfs/dbraw/zinc/15/04/89/1065150489.db2.gz FKOIFYPFFXWHDK-UHFFFAOYSA-N 0 0 454.061 4.549 20 0 JJADRN CCc1oc2ccccc2c1C(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC001436059575 1065151169 /nfs/dbraw/zinc/15/11/69/1065151169.db2.gz ZOZLHMPPZZFATM-UHFFFAOYSA-N 0 0 451.523 4.502 20 0 JJADRN O=C(CCCc1ccc(Br)cc1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001436059353 1065151282 /nfs/dbraw/zinc/15/12/82/1065151282.db2.gz QGBFQNOTYLNDAU-UHFFFAOYSA-N 0 0 451.792 4.578 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001360317940 1065151263 /nfs/dbraw/zinc/15/12/63/1065151263.db2.gz JHGFVOCLWGZLBS-OAQYLSRUSA-N 0 0 454.958 4.994 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2=O)cc1 ZINC001360318191 1065152040 /nfs/dbraw/zinc/15/20/40/1065152040.db2.gz ORWIDYIPQMVUMV-LJQANCHMSA-N 0 0 450.535 4.563 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)cn2)cc1C ZINC001436060476 1065152124 /nfs/dbraw/zinc/15/21/24/1065152124.db2.gz OQLJAAJBSCKNMB-UHFFFAOYSA-N 0 0 453.546 4.564 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC001436060949 1065152638 /nfs/dbraw/zinc/15/26/38/1065152638.db2.gz FIINFUSEUCPYOE-SFHVURJKSA-N 0 0 453.354 4.702 20 0 JJADRN O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001436062948 1065154024 /nfs/dbraw/zinc/15/40/24/1065154024.db2.gz QWQHXIJKGPTHDJ-UHFFFAOYSA-N 0 0 458.345 4.612 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)CC2=O)c1 ZINC001436062856 1065154111 /nfs/dbraw/zinc/15/41/11/1065154111.db2.gz XCWPWWGKLYGEBF-CQSZACIVSA-N 0 0 455.486 4.866 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360319817 1065154912 /nfs/dbraw/zinc/15/49/12/1065154912.db2.gz NQPDFZKHGCHIKD-IEGUWTFLSA-N 0 0 464.557 4.657 20 0 JJADRN CC1(C)C[C@@H](OC(=O)c2ccc3nnc(C(F)F)n3c2)c2cc(Br)ccc2O1 ZINC001436064797 1065154933 /nfs/dbraw/zinc/15/49/33/1065154933.db2.gz ONNQFNZTUZITMX-CQSZACIVSA-N 0 0 452.255 4.889 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001436064371 1065155025 /nfs/dbraw/zinc/15/50/25/1065155025.db2.gz FTVLPRHQRHJVBO-UHFFFAOYSA-N 0 0 459.951 4.863 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360320253 1065156204 /nfs/dbraw/zinc/15/62/04/1065156204.db2.gz VFARZPFTFGIULK-DQMJNTIXSA-N 0 0 462.660 4.519 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N(CCc3ccccn3)Cc3ccncc3)cc2s1 ZINC001436066463 1065156403 /nfs/dbraw/zinc/15/64/03/1065156403.db2.gz HBLXYKCVEZKERM-UHFFFAOYSA-N 0 0 451.621 4.879 20 0 JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCOc2c(Br)cccc21 ZINC001436065759 1065156458 /nfs/dbraw/zinc/15/64/58/1065156458.db2.gz RNGRUKMPYSNYJK-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2CCSCc2ccccc2F)CCOC1 ZINC001360320772 1065157333 /nfs/dbraw/zinc/15/73/33/1065157333.db2.gz FKRCMEYYFQPQAV-DEOSSOPVSA-N 0 0 464.651 4.874 20 0 JJADRN Cc1ccc(F)c(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1Br ZINC001436068903 1065158073 /nfs/dbraw/zinc/15/80/73/1065158073.db2.gz BUBUIGOWLZPYTC-FQEVSTJZSA-N 0 0 453.283 4.586 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cccnc2N2CCOCC2)cc1C ZINC001360321382 1065158611 /nfs/dbraw/zinc/15/86/11/1065158611.db2.gz JBQDXGIUBXRKHT-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001360321338 1065158676 /nfs/dbraw/zinc/15/86/76/1065158676.db2.gz KWSLPCYYHCBSHI-AREMUKBSSA-N 0 0 485.579 4.606 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)c1ccc(OC(F)F)c(F)c1 ZINC001436070290 1065158947 /nfs/dbraw/zinc/15/89/47/1065158947.db2.gz OFFZWEWXWQRGBU-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001436070999 1065159584 /nfs/dbraw/zinc/15/95/84/1065159584.db2.gz FMAUVUZMDBDYBA-FQEVSTJZSA-N 0 0 454.514 4.593 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1nccc2c(Br)cccc21 ZINC001360322712 1065159987 /nfs/dbraw/zinc/15/99/87/1065159987.db2.gz FGVWLJMAPHUMRF-UHFFFAOYSA-N 0 0 457.368 4.727 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2nc(C(C)C)cs2)CCOC1 ZINC001360322448 1065160048 /nfs/dbraw/zinc/16/00/48/1065160048.db2.gz XMKMVJUCILQQAH-HSZRJFAPSA-N 0 0 491.061 4.632 20 0 JJADRN Cc1nc(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)sc1Cc1ccc(F)cc1F ZINC001436071832 1065160273 /nfs/dbraw/zinc/16/02/73/1065160273.db2.gz CNUFGIRSCYWODJ-JOCHJYFZSA-N 0 0 451.539 4.906 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436071364 1065160287 /nfs/dbraw/zinc/16/02/87/1065160287.db2.gz XDDYTYRAGMHIMH-DFIYOIEZSA-N 0 0 451.588 4.720 20 0 JJADRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001436072039 1065161038 /nfs/dbraw/zinc/16/10/38/1065161038.db2.gz OROIVPBVQPTSMQ-SIKLNZKXSA-N 0 0 452.448 4.856 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)Cc1ccc(Cl)s1 ZINC001436072175 1065161071 /nfs/dbraw/zinc/16/10/71/1065161071.db2.gz FAAARGFNVBUBJP-UHFFFAOYSA-N 0 0 456.132 4.527 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360323829 1065161360 /nfs/dbraw/zinc/16/13/60/1065161360.db2.gz IFLUENRPSABSBD-JOCHJYFZSA-N 0 0 482.984 4.997 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)nc1Br ZINC001436073046 1065161775 /nfs/dbraw/zinc/16/17/75/1065161775.db2.gz AQFMGVVPKFVMPM-CQSZACIVSA-N 0 0 458.125 4.732 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360323991 1065162308 /nfs/dbraw/zinc/16/23/08/1065162308.db2.gz KFHWCBVCAGHEGO-FQEVSTJZSA-N 0 0 497.484 4.889 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC001436073533 1065162371 /nfs/dbraw/zinc/16/23/71/1065162371.db2.gz XUQDXIFTEHOJLV-QHCPKHFHSA-N 0 0 455.913 4.962 20 0 JJADRN COc1ccc([C@H](CC(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)NC(C)=O)cc1 ZINC001436074609 1065162873 /nfs/dbraw/zinc/16/28/73/1065162873.db2.gz RXLZMVSWKUDVEO-FQEVSTJZSA-N 0 0 459.518 4.535 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)CCCc1ccc(C)cc1 ZINC001436074649 1065162983 /nfs/dbraw/zinc/16/29/83/1065162983.db2.gz UECRLZNVDRAANV-UHFFFAOYSA-N 0 0 457.739 4.901 20 0 JJADRN Cc1nc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)sc1Cc1c(F)cccc1F ZINC001436074639 1065163160 /nfs/dbraw/zinc/16/31/60/1065163160.db2.gz SYHSCPSIOQYLLT-UHFFFAOYSA-N 0 0 455.530 4.811 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)sc1Cc1cccc(Cl)c1F ZINC001436074813 1065163792 /nfs/dbraw/zinc/16/37/92/1065163792.db2.gz DVIWLNYGYJCFTE-CQSZACIVSA-N 0 0 456.008 4.721 20 0 JJADRN COC[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(Cl)cc1 ZINC001436075429 1065163878 /nfs/dbraw/zinc/16/38/78/1065163878.db2.gz KAWZMMRGSVCBDV-GOSISDBHSA-N 0 0 456.930 4.906 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360324519 1065164206 /nfs/dbraw/zinc/16/42/06/1065164206.db2.gz PMFDOMBZZJKDNT-RPBOFIJWSA-N 0 0 477.049 4.550 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@@H]2CCO[C@H](C)C2)CCOC1 ZINC001360324630 1065164324 /nfs/dbraw/zinc/16/43/24/1065164324.db2.gz QQLQFVZMISQIOE-DRMXPCRNSA-N 0 0 496.574 4.789 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001436075944 1065164529 /nfs/dbraw/zinc/16/45/29/1065164529.db2.gz QLOAQNUMKBZBDO-ZDUSSCGKSA-N 0 0 453.316 4.863 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC3)n2C[C@@H](F)c2ccc(Br)cc2)CCOC1 ZINC001360325688 1065167505 /nfs/dbraw/zinc/16/75/05/1065167505.db2.gz KGAWCHQHCDYORY-KNQAVFIVSA-N 0 0 481.410 4.638 20 0 JJADRN O=C(COc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001436080910 1065167667 /nfs/dbraw/zinc/16/76/67/1065167667.db2.gz HFZFJHPODRVMDV-CQSZACIVSA-N 0 0 456.411 4.888 20 0 JJADRN COc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 ZINC001436080901 1065167705 /nfs/dbraw/zinc/16/77/05/1065167705.db2.gz HAAQHVIYXUURDW-UHFFFAOYSA-N 0 0 456.589 4.769 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)C2)n(C)n1 ZINC001436082231 1065168295 /nfs/dbraw/zinc/16/82/95/1065168295.db2.gz IIILOXZTLIPARK-SFHVURJKSA-N 0 0 459.381 4.573 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)C2)n(C)n1 ZINC001436082229 1065168383 /nfs/dbraw/zinc/16/83/83/1065168383.db2.gz IIILOXZTLIPARK-GOSISDBHSA-N 0 0 459.381 4.573 20 0 JJADRN O=C(Cc1coc2c1ccc(F)c2F)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001436082762 1065168892 /nfs/dbraw/zinc/16/88/92/1065168892.db2.gz BDWPPOSHMNPWGX-UHFFFAOYSA-N 0 0 455.379 4.974 20 0 JJADRN Cc1cccc2c1CCCN2C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001360326847 1065169419 /nfs/dbraw/zinc/16/94/19/1065169419.db2.gz MEFDKLASXYGUFI-SFHVURJKSA-N 0 0 455.396 4.898 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)cc(C(F)(F)F)c1 ZINC001360327767 1065169827 /nfs/dbraw/zinc/16/98/27/1065169827.db2.gz PIFRFTPTFVUURO-KRWDZBQOSA-N 0 0 453.436 4.730 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc(-c2ccc(F)cc2)no1 ZINC001436084457 1065170297 /nfs/dbraw/zinc/17/02/97/1065170297.db2.gz ZKSKSFZENSYYCN-UHFFFAOYSA-N 0 0 450.388 4.815 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)[C@@H]1C ZINC001436085049 1065170305 /nfs/dbraw/zinc/17/03/05/1065170305.db2.gz CATSMOMWJUQYHP-HBXLWWENSA-N 0 0 451.405 4.739 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCCc3ccccc3)n2C[C@H]2CCCSC2)CCOC1 ZINC001360328213 1065170588 /nfs/dbraw/zinc/17/05/88/1065170588.db2.gz BMMXFYLELMDSNF-RCZVLFRGSA-N 0 0 458.672 4.531 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3ccccc3F)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001360328203 1065170726 /nfs/dbraw/zinc/17/07/26/1065170726.db2.gz BGUUQFALJNUMGV-MHZLTWQESA-N 0 0 481.616 4.510 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ncc(-c4ccccc4)cn3)[nH]c(=O)c2c1C ZINC001436085674 1065170865 /nfs/dbraw/zinc/17/08/65/1065170865.db2.gz ZVEIKWXGAZPPGQ-AWEZNQCLSA-N 0 0 451.577 4.731 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360328784 1065171159 /nfs/dbraw/zinc/17/11/59/1065171159.db2.gz LTVVQVQGYLBMOV-GOSISDBHSA-N 0 0 466.957 4.665 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC001360328326 1065171180 /nfs/dbraw/zinc/17/11/80/1065171180.db2.gz DFBRJHABVZNKIB-IBVKSMDESA-N 0 0 474.621 4.514 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccc(C(F)(F)F)nn1 ZINC001436087466 1065171552 /nfs/dbraw/zinc/17/15/52/1065171552.db2.gz MXEDEXLIYAGUNN-UHFFFAOYSA-N 0 0 458.271 4.810 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCc3ccccc3F)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360329086 1065171818 /nfs/dbraw/zinc/17/18/18/1065171818.db2.gz RHDIWUMJVYMKQG-FDDCHVKYSA-N 0 0 466.548 4.572 20 0 JJADRN CCCN(C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC001436087896 1065172148 /nfs/dbraw/zinc/17/21/48/1065172148.db2.gz QPCJWNDMZFKRLA-LJQANCHMSA-N 0 0 454.567 4.595 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOC(C)(C)C)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360329904 1065173101 /nfs/dbraw/zinc/17/31/01/1065173101.db2.gz FRRHILDKAGRQMT-JOCHJYFZSA-N 0 0 471.067 4.528 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC001360329919 1065173617 /nfs/dbraw/zinc/17/36/17/1065173617.db2.gz BGSXNKVNNXCCCE-UHFFFAOYSA-N 0 0 459.612 4.545 20 0 JJADRN CCO[C@H](CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC001436090840 1065174085 /nfs/dbraw/zinc/17/40/85/1065174085.db2.gz LJTUMDYQKHZCNA-JOCHJYFZSA-N 0 0 455.601 4.749 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1C ZINC001436091716 1065174168 /nfs/dbraw/zinc/17/41/68/1065174168.db2.gz AMVICCGWEXKQDI-UHFFFAOYSA-N 0 0 451.413 4.622 20 0 JJADRN COc1cccc(C2(NC(=O)Cc3ccc(Br)c(Cl)c3)CCOCC2)c1F ZINC001436090825 1065174252 /nfs/dbraw/zinc/17/42/52/1065174252.db2.gz ZITWLANYAHKNOM-UHFFFAOYSA-N 0 0 456.739 4.615 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2ccccc2F)CCOC1 ZINC001360330844 1065174363 /nfs/dbraw/zinc/17/43/63/1065174363.db2.gz OFMUVRHCUNELJY-JOCHJYFZSA-N 0 0 470.511 4.675 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc3sccc3c2)CCOC1 ZINC001360330977 1065174821 /nfs/dbraw/zinc/17/48/21/1065174821.db2.gz OULQJOQSLZSGBC-VWLOTQADSA-N 0 0 472.655 4.833 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCC(C)(F)F)CCOC1 ZINC001360331133 1065174946 /nfs/dbraw/zinc/17/49/46/1065174946.db2.gz RAMVHUKIZQIURK-QHCPKHFHSA-N 0 0 454.537 4.918 20 0 JJADRN COc1ccccc1C[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001436093073 1065175519 /nfs/dbraw/zinc/17/55/19/1065175519.db2.gz DEXVLWGFZIQTLN-AWEZNQCLSA-N 0 0 451.876 4.973 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001436092885 1065175533 /nfs/dbraw/zinc/17/55/33/1065175533.db2.gz PQHXEXCZMOGRMQ-PXAZEXFGSA-N 0 0 451.436 4.508 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3ccc(OCC(F)F)c(C(F)(F)F)c3)cc2)no1 ZINC001436092967 1065175547 /nfs/dbraw/zinc/17/55/47/1065175547.db2.gz RASJLGPSWSVFSF-UHFFFAOYSA-N 0 0 457.355 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001436092908 1065175560 /nfs/dbraw/zinc/17/55/60/1065175560.db2.gz QAYJZGONWAIWKX-KNHMANMVSA-N 0 0 450.404 4.543 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001360331701 1065176309 /nfs/dbraw/zinc/17/63/09/1065176309.db2.gz YSNDGIJRVRMJMV-GHTZIAJQSA-N 0 0 476.609 4.631 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001360331703 1065176848 /nfs/dbraw/zinc/17/68/48/1065176848.db2.gz YSNDGIJRVRMJMV-RXVVDRJESA-N 0 0 476.609 4.631 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001436095116 1065176982 /nfs/dbraw/zinc/17/69/82/1065176982.db2.gz KJHVMWLELCAJFW-CQSZACIVSA-N 0 0 450.495 4.922 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC001360332278 1065177699 /nfs/dbraw/zinc/17/76/99/1065177699.db2.gz QRPYWNKHYJEEHO-HKBQPEDESA-N 0 0 454.617 4.997 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2Cc2ccncc2Cl)CCOC1 ZINC001360333171 1065178170 /nfs/dbraw/zinc/17/81/70/1065178170.db2.gz GMLLBTNLIBCSSQ-XMMPIXPASA-N 0 0 460.022 4.598 20 0 JJADRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)c3ccc(-c4cccc(C(C)C)c4)o3)c2)n1 ZINC001436098273 1065178295 /nfs/dbraw/zinc/17/82/95/1065178295.db2.gz DPXSVZJAAMVELH-UHFFFAOYSA-N 0 0 458.518 4.962 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)CCOC1 ZINC001360333585 1065178921 /nfs/dbraw/zinc/17/89/21/1065178921.db2.gz JKCPQPFHAIXAPJ-DOAHWQAKSA-N 0 0 495.437 4.884 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 ZINC001360333780 1065178943 /nfs/dbraw/zinc/17/89/43/1065178943.db2.gz NTLBZVPLCIDFOX-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)c1oc(-c2ccccc2)nc1C)c1ccc(Br)cc1C ZINC001436099019 1065179072 /nfs/dbraw/zinc/17/90/72/1065179072.db2.gz VIQOBLQVPYKHIY-HNNXBMFYSA-N 0 0 457.324 4.929 20 0 JJADRN CC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1cnc2ccccc2c1 ZINC001436098817 1065179092 /nfs/dbraw/zinc/17/90/92/1065179092.db2.gz IUQRQICUFGLTQT-UHFFFAOYSA-N 0 0 457.621 4.772 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC=CCC3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CCOC1 ZINC001360333926 1065179373 /nfs/dbraw/zinc/17/93/73/1065179373.db2.gz LPQDEZHIDUKVNR-HHHXNRCGSA-N 0 0 497.640 4.675 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)c2)cc1 ZINC001360334342 1065180034 /nfs/dbraw/zinc/18/00/34/1065180034.db2.gz VBYSAJIGTLFRIS-QHCPKHFHSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN(C)c2ccccc2F)CCOC1 ZINC001360335326 1065180569 /nfs/dbraw/zinc/18/05/69/1065180569.db2.gz CKPZSMCTJPRIEV-JIPXPUAJSA-N 0 0 487.664 4.857 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](C)N(C)c2ccccc2)CCOC1 ZINC001360335167 1065180740 /nfs/dbraw/zinc/18/07/40/1065180740.db2.gz ZVABLZXSDBFWGX-NTKDMRAZSA-N 0 0 493.574 4.542 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCSCc2ccccc2)CCOC1 ZINC001360335414 1065181294 /nfs/dbraw/zinc/18/12/94/1065181294.db2.gz DSFJJAYNIIKSML-TYBLODHISA-N 0 0 458.672 4.734 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001436102262 1065181437 /nfs/dbraw/zinc/18/14/37/1065181437.db2.gz LSLNTBMQCZDCCL-WPYKKVEZSA-N 0 0 457.615 4.586 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCO[C@@H]2CCCC[C@@H]2C)CCOC1 ZINC001360335559 1065181953 /nfs/dbraw/zinc/18/19/53/1065181953.db2.gz GGVVQZOYGJXOPJ-BTKWVRSESA-N 0 0 462.679 4.786 20 0 JJADRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)cn1 ZINC001436104386 1065182129 /nfs/dbraw/zinc/18/21/29/1065182129.db2.gz HNSSDHBZLLVZFS-UHFFFAOYSA-N 0 0 452.986 4.692 20 0 JJADRN Cc1csc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1I ZINC001436104785 1065182895 /nfs/dbraw/zinc/18/28/95/1065182895.db2.gz UVBIUXQMRPFENU-UHFFFAOYSA-N 0 0 451.289 4.841 20 0 JJADRN CN(C)Cc1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1Cl ZINC001436106094 1065182949 /nfs/dbraw/zinc/18/29/49/1065182949.db2.gz YQJHUQAGTHUJCD-FQEVSTJZSA-N 0 0 450.808 4.940 20 0 JJADRN Cc1ccc(C(=O)Oc2ccc3c(c2)C(=O)NC3)cc1OCc1csc(Br)c1 ZINC001436104973 1065183001 /nfs/dbraw/zinc/18/30/01/1065183001.db2.gz AJRZULOYHZDORQ-UHFFFAOYSA-N 0 0 458.333 4.861 20 0 JJADRN CO[C@@H]1CCOc2c(NC(=O)c3cc(C)c(Cl)cc3I)cccc21 ZINC001436107856 1065183680 /nfs/dbraw/zinc/18/36/80/1065183680.db2.gz HEYFGIQXBRLZDU-MRXNPFEDSA-N 0 0 457.695 4.975 20 0 JJADRN O=C(Oc1ccc2c(c1)C(=O)NC2)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001436106513 1065183697 /nfs/dbraw/zinc/18/36/97/1065183697.db2.gz YCORAGPSKCUTIQ-UHFFFAOYSA-N 0 0 459.683 4.752 20 0 JJADRN CO[C@@H]1CCOc2c(NC(=O)c3ccccc3OCCN(C)C(=O)OC(C)(C)C)cccc21 ZINC001436107401 1065183750 /nfs/dbraw/zinc/18/37/50/1065183750.db2.gz BVDZAKIUSNTQBO-HXUWFJFHSA-N 0 0 456.539 4.655 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2sccc2Br)CCOC1 ZINC001360336165 1065184080 /nfs/dbraw/zinc/18/40/80/1065184080.db2.gz OCYPZVASKMKJPW-VWKPWSFCSA-N 0 0 483.476 4.673 20 0 JJADRN C[C@]1(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCN(C(=O)OCc2ccccc2)C1 ZINC001436109088 1065184267 /nfs/dbraw/zinc/18/42/67/1065184267.db2.gz GSLGKHYMTPVTJM-QHCPKHFHSA-N 0 0 457.502 4.619 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2CCc2ccc(Br)s2)CCOC1 ZINC001360336459 1065184745 /nfs/dbraw/zinc/18/47/45/1065184745.db2.gz SHYPFTSTSWATOA-HTAPYJJXSA-N 0 0 497.503 4.868 20 0 JJADRN COC(=O)c1cc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc(Cl)c1F ZINC001436110597 1065185606 /nfs/dbraw/zinc/18/56/06/1065185606.db2.gz JQNSPIHOBYPDOQ-UHFFFAOYSA-N 0 0 450.875 4.659 20 0 JJADRN Cc1c(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cccc1NC(=O)N(C)C ZINC001436111155 1065186179 /nfs/dbraw/zinc/18/61/79/1065186179.db2.gz QUYBQQGGOKJTQF-FQEVSTJZSA-N 0 0 459.388 4.627 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1[nH]nc2ccc(Cl)cc21 ZINC001436111511 1065186228 /nfs/dbraw/zinc/18/62/28/1065186228.db2.gz HWXXGRCUGLFWPQ-NSHDSACASA-N 0 0 453.711 4.572 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C)(C)CC3)n2CCc2csc(C(C)C)n2)CCOC1 ZINC001360336788 1065186265 /nfs/dbraw/zinc/18/62/65/1065186265.db2.gz YBEGQJQLQOUVOI-XMMPIXPASA-N 0 0 461.676 4.768 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001360337354 1065186322 /nfs/dbraw/zinc/18/63/22/1065186322.db2.gz KUBMEBPYXXFZRN-UHFFFAOYSA-N 0 0 456.911 4.578 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2c(F)cccc2Cl)CCOC1 ZINC001360336797 1065186343 /nfs/dbraw/zinc/18/63/43/1065186343.db2.gz YCKPXUDVQCHPTJ-NRFANRHFSA-N 0 0 490.929 4.938 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3cc(Cl)cc(Cl)c3)c2)C1 ZINC001360338153 1065186865 /nfs/dbraw/zinc/18/68/65/1065186865.db2.gz XJWNAODNGUPBRS-HUUCEWRRSA-N 0 0 455.407 4.937 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cs1 ZINC001360337400 1065186910 /nfs/dbraw/zinc/18/69/10/1065186910.db2.gz MABRFYYMDILMRG-UHFFFAOYSA-N 0 0 454.939 4.706 20 0 JJADRN O=C(NCCc1ccc(Br)cc1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001360337868 1065186951 /nfs/dbraw/zinc/18/69/51/1065186951.db2.gz PJZKSFSGTPIIKD-UHFFFAOYSA-N 0 0 455.274 4.567 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2cc(F)ccc2F)CCOC1 ZINC001360338638 1065187438 /nfs/dbraw/zinc/18/74/38/1065187438.db2.gz HNNANYXNFOAXBR-QFIPXVFZSA-N 0 0 488.501 4.814 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001436112713 1065187449 /nfs/dbraw/zinc/18/74/49/1065187449.db2.gz XKZKJYWMSOSCLQ-UHFFFAOYSA-N 0 0 454.958 4.641 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCc2ccccc2F)CCOC1 ZINC001360338939 1065187562 /nfs/dbraw/zinc/18/75/62/1065187562.db2.gz NPQVLJGLTZBWCL-JOCHJYFZSA-N 0 0 469.388 4.600 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(F)(F)CC3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360339401 1065188205 /nfs/dbraw/zinc/18/82/05/1065188205.db2.gz TWWKXTMJEIIFPZ-GOSISDBHSA-N 0 0 480.503 4.683 20 0 JJADRN C[C@@]1(NC(=O)CCOc2ccc(Cl)c(Cl)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001436112852 1065188262 /nfs/dbraw/zinc/18/82/62/1065188262.db2.gz XBKLXJSRUCZATL-JOCHJYFZSA-N 0 0 451.350 4.680 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](Cc4ccccc4)C3)n2CCSCC(F)(F)F)CCOC1 ZINC001360340239 1065188981 /nfs/dbraw/zinc/18/89/81/1065188981.db2.gz ZWEGZYPIVBMPST-OFNKIYASSA-N 0 0 498.615 4.683 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@](C)(CC)c1ccccc1 ZINC001360340402 1065189486 /nfs/dbraw/zinc/18/94/86/1065189486.db2.gz RMNPZUIUKTXAKZ-MUUNZHRXSA-N 0 0 456.542 4.937 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)CC1 ZINC001360340396 1065189507 /nfs/dbraw/zinc/18/95/07/1065189507.db2.gz RCYCOEVSZKMCQJ-OAHLLOKOSA-N 0 0 454.571 4.545 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)F)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360340500 1065189528 /nfs/dbraw/zinc/18/95/28/1065189528.db2.gz DGJSKJWTBXRYMG-VBKZILBWSA-N 0 0 494.530 4.929 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC=C(c4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001360340531 1065190152 /nfs/dbraw/zinc/19/01/52/1065190152.db2.gz DMAKHXPCBNCHGI-HSZRJFAPSA-N 0 0 464.532 4.955 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCc2ccc(F)c(F)c2)CCOC1 ZINC001360340924 1065190234 /nfs/dbraw/zinc/19/02/34/1065190234.db2.gz HQSAPMDYWIXVHF-HTAPYJJXSA-N 0 0 488.501 4.618 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CCOc2ccccc2Cl)CCOC1 ZINC001360340685 1065190278 /nfs/dbraw/zinc/19/02/78/1065190278.db2.gz FDRFBCLHYOZAFI-NBGIEHNGSA-N 0 0 477.049 4.924 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c(Cl)c1 ZINC001436116445 1065190434 /nfs/dbraw/zinc/19/04/34/1065190434.db2.gz GUKCIUIPULPPHW-INIZCTEOSA-N 0 0 459.930 4.540 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCc4c(Cl)cccc4C3)n2CCSC(F)(F)F)CCOC1 ZINC001360341190 1065190986 /nfs/dbraw/zinc/19/09/86/1065190986.db2.gz LYGLKCKPFIIFMZ-FQEVSTJZSA-N 0 0 490.979 4.788 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001360341567 1065191504 /nfs/dbraw/zinc/19/15/04/1065191504.db2.gz RRIOWDGOGQJGKE-BVZFJXPGSA-N 0 0 480.575 4.917 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC=C(Br)C3)n2CCOC2CCCCCC2)CCOC1 ZINC001360341670 1065191649 /nfs/dbraw/zinc/19/16/49/1065191649.db2.gz UTQPWGCTFMNARH-HSZRJFAPSA-N 0 0 497.478 4.547 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2nc(N3CCCC3)ncc2Cl)c(Cl)c1 ZINC001436118038 1065191563 /nfs/dbraw/zinc/19/15/63/1065191563.db2.gz PGMHOHBAXQCVGR-UHFFFAOYSA-N 0 0 453.326 4.950 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCc2ccccc2)CCOC1 ZINC001360342946 1065192224 /nfs/dbraw/zinc/19/22/24/1065192224.db2.gz FPCRHZJXYZBDFF-KCWPFWIISA-N 0 0 470.658 4.735 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC001360342309 1065192328 /nfs/dbraw/zinc/19/23/28/1065192328.db2.gz LDKYAYSMULBQCF-GOSISDBHSA-N 0 0 458.427 4.908 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCCCC3)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001360343174 1065192903 /nfs/dbraw/zinc/19/29/03/1065192903.db2.gz HZDZKASNNDVLNK-XMMPIXPASA-N 0 0 464.557 4.543 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@H]3C(C)C)n2Cc2ccccc2OC(F)F)CCOC1 ZINC001360343105 1065192933 /nfs/dbraw/zinc/19/29/33/1065192933.db2.gz HDUPVTMFQWEIQA-CYFREDJKSA-N 0 0 464.557 4.593 20 0 JJADRN COc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc(NC(C)=O)c1OC ZINC001436120827 1065193595 /nfs/dbraw/zinc/19/35/95/1065193595.db2.gz SIWUKMKIKPEHFO-UHFFFAOYSA-N 0 0 456.930 4.877 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cncc(Br)c3)C2)n1 ZINC001436120341 1065193643 /nfs/dbraw/zinc/19/36/43/1065193643.db2.gz KPYJREQNAHPSHU-AWEZNQCLSA-N 0 0 458.381 4.996 20 0 JJADRN COCCN(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)[C@H]1CC[C@H](C)C1 ZINC001436121031 1065194233 /nfs/dbraw/zinc/19/42/33/1065194233.db2.gz YZUUTYXZVFVNMD-KKSFZXQISA-N 0 0 459.384 4.979 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360345202 1065194272 /nfs/dbraw/zinc/19/42/72/1065194272.db2.gz CSCKVPWLWLFGAG-OAQYLSRUSA-N 0 0 483.476 4.962 20 0 JJADRN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccc(=O)n(C)n1 ZINC001360346855 1065195152 /nfs/dbraw/zinc/19/51/52/1065195152.db2.gz UBKPNFAZOLQPJJ-UHFFFAOYSA-N 0 0 459.527 4.605 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001436122128 1065195790 /nfs/dbraw/zinc/19/57/90/1065195790.db2.gz CEVIPXPFEHWROC-UHFFFAOYSA-N 0 0 453.123 4.981 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCN(c4ccc(F)cc4)CC3)n2CCCC(C)(C)C)CCOC1 ZINC001360347702 1065195876 /nfs/dbraw/zinc/19/58/76/1065195876.db2.gz MFGIXNUGOMZHOL-AREMUKBSSA-N 0 0 473.637 4.611 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3cc(C(F)(F)F)ccc3Cl)c2)n1 ZINC001436122765 1065196363 /nfs/dbraw/zinc/19/63/63/1065196363.db2.gz HJPDBDCXNNGLKU-UHFFFAOYSA-N 0 0 451.832 4.651 20 0 JJADRN O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001436122941 1065197034 /nfs/dbraw/zinc/19/70/34/1065197034.db2.gz MBVSHZVRMHDTCH-SFHVURJKSA-N 0 0 455.605 4.579 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cc2)C[C@H](C)O1 ZINC001436123300 1065197080 /nfs/dbraw/zinc/19/70/80/1065197080.db2.gz GIQRXAMSVATJJE-CALCHBBNSA-N 0 0 458.002 4.868 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCO[C@@H](c4ccccc4)C3)n2CC(C)(C)C(C)C)CCOC1 ZINC001360350259 1065197098 /nfs/dbraw/zinc/19/70/98/1065197098.db2.gz ROSLNOFFWLRECX-ATIYNZHBSA-N 0 0 456.631 4.579 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001436123497 1065197745 /nfs/dbraw/zinc/19/77/45/1065197745.db2.gz PSNPFZKSZJPKHH-NRFANRHFSA-N 0 0 454.567 4.653 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC001436123872 1065197778 /nfs/dbraw/zinc/19/77/78/1065197778.db2.gz BMMMDYIBHQUCQM-KGLIPLIRSA-N 0 0 455.755 4.746 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)CCCOc1cccc(Br)c1 ZINC001436124574 1065198466 /nfs/dbraw/zinc/19/84/66/1065198466.db2.gz UAKWBHHLFVENIE-UHFFFAOYSA-N 0 0 450.283 4.926 20 0 JJADRN CO[C@H](C(=O)N[C@H](C)c1ccc(F)c(Br)c1)c1ccc(Br)s1 ZINC001360351465 1065198550 /nfs/dbraw/zinc/19/85/50/1065198550.db2.gz OYEXZLQBTCXFIC-CLAHSXSESA-N 0 0 451.155 4.977 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ccn2)C1 ZINC001360353451 1065201155 /nfs/dbraw/zinc/20/11/55/1065201155.db2.gz MYASNCMMQFWEDA-MRXNPFEDSA-N 0 0 458.965 4.601 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)cn1 ZINC001360354151 1065201684 /nfs/dbraw/zinc/20/16/84/1065201684.db2.gz GAZUPDFZJAVLEG-QUCCMNQESA-N 0 0 486.016 4.775 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N[C@@H]2CSc3ccc(Br)cc32)CCN1C(=O)OC(C)(C)C ZINC001436128537 1065201894 /nfs/dbraw/zinc/20/18/94/1065201894.db2.gz PIQNHJIUJJHEHF-FVQBIDKESA-N 0 0 455.418 4.748 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)cn1 ZINC001360354197 1065202284 /nfs/dbraw/zinc/20/22/84/1065202284.db2.gz HIDDRQRAOXQFTO-RBUKOAKNSA-N 0 0 483.588 4.791 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001360354236 1065202654 /nfs/dbraw/zinc/20/26/54/1065202654.db2.gz IJPWFFOOPUVSQW-XXBNENTESA-N 0 0 492.624 4.525 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001360354235 1065202748 /nfs/dbraw/zinc/20/27/48/1065202748.db2.gz IJPWFFOOPUVSQW-WMZHIEFXSA-N 0 0 492.624 4.525 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H]2CCCOC2)cn1 ZINC001360354330 1065202825 /nfs/dbraw/zinc/20/28/25/1065202825.db2.gz KYBPIAJAOHHRNJ-IBGZPJMESA-N 0 0 455.990 4.692 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001360354494 1065203253 /nfs/dbraw/zinc/20/32/53/1065203253.db2.gz QNKYADYOSGRRRI-CALCHBBNSA-N 0 0 486.414 4.552 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)cc1 ZINC001360354653 1065203688 /nfs/dbraw/zinc/20/36/88/1065203688.db2.gz VROSUQWDUBATJN-QGZVFWFLSA-N 0 0 476.444 4.813 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)cn1 ZINC001360354658 1065203871 /nfs/dbraw/zinc/20/38/71/1065203871.db2.gz VWGUHRLBNLVJRN-QGZVFWFLSA-N 0 0 486.414 4.553 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)OCc1ccc(OC(F)(F)F)cc1Cl ZINC001436131936 1065204385 /nfs/dbraw/zinc/20/43/85/1065204385.db2.gz ZBHWNPNZRJNXOX-UHFFFAOYSA-N 0 0 452.816 4.967 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2(c3cccs3)CCCCC2)c1 ZINC001360355099 1065204464 /nfs/dbraw/zinc/20/44/64/1065204464.db2.gz KPLSSVVQEILALI-FQEVSTJZSA-N 0 0 454.592 4.756 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(C)C ZINC001360355121 1065204866 /nfs/dbraw/zinc/20/48/66/1065204866.db2.gz LFNOKRHPGLAGSH-DEOSSOPVSA-N 0 0 454.592 4.727 20 0 JJADRN Cc1c(C(=O)NCc2ccc(-c3ccco3)cc2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001436133485 1065205401 /nfs/dbraw/zinc/20/54/01/1065205401.db2.gz AXIAKIUKARIKDX-UHFFFAOYSA-N 0 0 458.415 4.983 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(C)C ZINC001360355438 1065205360 /nfs/dbraw/zinc/20/53/60/1065205360.db2.gz VTYIVBRBLSXCKY-LJQANCHMSA-N 0 0 454.328 4.607 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001436134188 1065205774 /nfs/dbraw/zinc/20/57/74/1065205774.db2.gz FTZTYBHWODTZGE-GOSISDBHSA-N 0 0 452.942 4.685 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2cccc(Cl)c2)cn1 ZINC001360355870 1065205911 /nfs/dbraw/zinc/20/59/11/1065205911.db2.gz IGLVIMVUVLOLOO-UHFFFAOYSA-N 0 0 466.973 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1Cc1ccc(F)cc1F ZINC001545895708 1065205848 /nfs/dbraw/zinc/20/58/48/1065205848.db2.gz CQUKVCQEGBFRTP-KRWDZBQOSA-N 0 0 488.608 4.672 20 0 JJADRN COc1cc(C(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC001436134052 1065205875 /nfs/dbraw/zinc/20/58/75/1065205875.db2.gz GVYSPQCAYPRTEM-NRFANRHFSA-N 0 0 452.938 4.616 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001436134839 1065206449 /nfs/dbraw/zinc/20/64/49/1065206449.db2.gz LEXDMYXNKCCPNL-NRFANRHFSA-N 0 0 455.986 4.852 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOC3(CCCCC3)C2)c1)c1cccc(Br)c1 ZINC001436135027 1065206549 /nfs/dbraw/zinc/20/65/49/1065206549.db2.gz PXKSZOXBHBMZNH-UHFFFAOYSA-N 0 0 457.368 4.877 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001360356389 1065206589 /nfs/dbraw/zinc/20/65/89/1065206589.db2.gz WEQWRBYOGNIHDO-LJQANCHMSA-N 0 0 498.672 4.906 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)Cc1c(F)ccc(Br)c1F ZINC001436135621 1065207046 /nfs/dbraw/zinc/20/70/46/1065207046.db2.gz DNHJLGJPAMPTMV-UHFFFAOYSA-N 0 0 451.080 4.830 20 0 JJADRN CCc1c(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)cnn1-c1ccccc1Cl ZINC001436137366 1065208120 /nfs/dbraw/zinc/20/81/20/1065208120.db2.gz ZCMRYVSWRDHYPF-UHFFFAOYSA-N 0 0 457.939 4.631 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(c4ccccc4CO)CC3)nnc2C(C)(C)C)cn1 ZINC001360357191 1065208289 /nfs/dbraw/zinc/20/82/89/1065208289.db2.gz DUKKCABDTODXCT-UHFFFAOYSA-N 0 0 463.626 4.682 20 0 JJADRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1cscc1Br ZINC001436137402 1065208692 /nfs/dbraw/zinc/20/86/92/1065208692.db2.gz HQKDPFSMMVCONZ-UHFFFAOYSA-N 0 0 458.175 4.761 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001436138784 1065209204 /nfs/dbraw/zinc/20/92/04/1065209204.db2.gz RJTJOLHKSUQSKK-ISKFKSNPSA-N 0 0 470.491 4.844 20 0 JJADRN CCCN1CCN(C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c2cc(F)ccc21 ZINC001436139360 1065209688 /nfs/dbraw/zinc/20/96/88/1065209688.db2.gz XBGYGCKRROEOHS-UHFFFAOYSA-N 0 0 453.587 4.768 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c2ccccn2)cc1 ZINC001436139758 1065210338 /nfs/dbraw/zinc/21/03/38/1065210338.db2.gz ZSHOIDZDDOARMQ-JOCHJYFZSA-N 0 0 452.345 4.856 20 0 JJADRN Cc1nn(C)cc1CCC(=O)OCc1cc(Br)c(Cl)c(Br)c1 ZINC001436140394 1065210377 /nfs/dbraw/zinc/21/03/77/1065210377.db2.gz GIJOAOSIXASBAS-UHFFFAOYSA-N 0 0 450.558 4.583 20 0 JJADRN O=C(Cn1ccc(C(F)F)n1)OCc1cc(Br)c(Cl)c(Br)c1 ZINC001436140821 1065210947 /nfs/dbraw/zinc/21/09/47/1065210947.db2.gz KIGHDYDZHGSDTL-UHFFFAOYSA-N 0 0 458.484 4.743 20 0 JJADRN C[C@@H](CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)Oc1ccccc1 ZINC001360359262 1065211487 /nfs/dbraw/zinc/21/14/87/1065211487.db2.gz BVWSYTXSGLCJJW-INIZCTEOSA-N 0 0 454.368 4.711 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2nccs2)c1 ZINC001360359349 1065211569 /nfs/dbraw/zinc/21/15/69/1065211569.db2.gz BMLKSOFUWILZAK-UHFFFAOYSA-N 0 0 454.987 4.922 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)s2)c1 ZINC001360359750 1065211981 /nfs/dbraw/zinc/21/19/81/1065211981.db2.gz JMXHVFPNWYCAJF-UHFFFAOYSA-N 0 0 457.003 4.865 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1csc(N2CCCCC2)n1 ZINC001436144398 1065212423 /nfs/dbraw/zinc/21/24/23/1065212423.db2.gz GENQUQLLGQNWDD-UHFFFAOYSA-N 0 0 450.387 4.667 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cc(-c3cccnc3)ccc2C)C1 ZINC001436144822 1065212441 /nfs/dbraw/zinc/21/24/41/1065212441.db2.gz MLSOOZJGYUIASE-YIXXDRMTSA-N 0 0 459.546 4.812 20 0 JJADRN Cc1cc(C(=O)NCc2c(F)cc(F)c(F)c2F)c(I)cc1Cl ZINC001436145620 1065213083 /nfs/dbraw/zinc/21/30/83/1065213083.db2.gz CGPDAFNNZDMZHU-UHFFFAOYSA-N 0 0 457.592 4.739 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)c1 ZINC001360360222 1065213230 /nfs/dbraw/zinc/21/32/30/1065213230.db2.gz QRQNXOQXXMDWOH-FQEVSTJZSA-N 0 0 467.639 4.692 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001360360172 1065213354 /nfs/dbraw/zinc/21/33/54/1065213354.db2.gz POTTUNNNYJZXKU-UHFFFAOYSA-N 0 0 457.619 4.836 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)c1 ZINC001360360223 1065213393 /nfs/dbraw/zinc/21/33/93/1065213393.db2.gz QRQNXOQXXMDWOH-HXUWFJFHSA-N 0 0 467.639 4.692 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCn3ccnc3C2)c1 ZINC001360360643 1065214297 /nfs/dbraw/zinc/21/42/97/1065214297.db2.gz YAJRSRRBUKCJMR-NRFANRHFSA-N 0 0 450.631 4.749 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)nnc2C(C)(C)C)cn1 ZINC001360360485 1065214322 /nfs/dbraw/zinc/21/43/22/1065214322.db2.gz WELNWCXTQXRLHF-SFTDATJTSA-N 0 0 498.672 4.642 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC001436148091 1065214389 /nfs/dbraw/zinc/21/43/89/1065214389.db2.gz DRIZNIUMAOWODF-YJYMSZOUSA-N 0 0 454.061 4.941 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)c1 ZINC001360361262 1065215496 /nfs/dbraw/zinc/21/54/96/1065215496.db2.gz JZYUURUWJBLBOR-FDFHNCONSA-N 0 0 499.656 4.509 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@H](c4ccc(C)cc4C)C3)cc2)cc1 ZINC001436150473 1065215605 /nfs/dbraw/zinc/21/56/05/1065215605.db2.gz FSHOHOYFTIKMKY-VWLOTQADSA-N 0 0 456.586 4.801 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CC3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001360361742 1065216259 /nfs/dbraw/zinc/21/62/59/1065216259.db2.gz ZAHFYGWLJONROC-FQEVSTJZSA-N 0 0 465.564 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1CCc1ccc(O)cc1 ZINC001545895793 1065216288 /nfs/dbraw/zinc/21/62/88/1065216288.db2.gz FTWFUWNGYUVUBB-HXUWFJFHSA-N 0 0 496.681 4.602 20 0 JJADRN Cc1c(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)nnn1-c1cccc(C)c1 ZINC001436150580 1065216301 /nfs/dbraw/zinc/21/63/01/1065216301.db2.gz HXNQXYDHVQLHRM-UHFFFAOYSA-N 0 0 454.372 4.522 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360361827 1065216535 /nfs/dbraw/zinc/21/65/35/1065216535.db2.gz BHEDONNRRKBLQO-QFQXNSOFSA-N 0 0 488.698 4.893 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360361826 1065216720 /nfs/dbraw/zinc/21/67/20/1065216720.db2.gz BHEDONNRRKBLQO-LVXARBLLSA-N 0 0 488.698 4.893 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)cc1 ZINC001436151274 1065216640 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CC(C)(C)OC(=O)CNC(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC001360380900 1065242178 /nfs/dbraw/zinc/24/21/78/1065242178.db2.gz MRNFYTAFQGJLAW-UHFFFAOYSA-N 0 0 457.368 4.988 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H]2CSc3ccccc32)C1=O ZINC001436193748 1065242191 /nfs/dbraw/zinc/24/21/91/1065242191.db2.gz MDOIKCHZVSOZTQ-QZTJIDSGSA-N 0 0 459.409 4.567 20 0 JJADRN CCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)ccc1F ZINC001436194073 1065242321 /nfs/dbraw/zinc/24/23/21/1065242321.db2.gz LJOPXQQPCSYHPZ-OAHLLOKOSA-N 0 0 451.311 4.781 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC001436194390 1065242869 /nfs/dbraw/zinc/24/28/69/1065242869.db2.gz ZDOQDTBLHOODCJ-AWEZNQCLSA-N 0 0 453.482 4.699 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001360382109 1065242906 /nfs/dbraw/zinc/24/29/06/1065242906.db2.gz GNJSWQJLYWNIQS-KNQAVFIVSA-N 0 0 463.022 4.721 20 0 JJADRN CC(C)OCCCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 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DLGMIXOOFUIJRN-UHFFFAOYSA-N 0 0 488.057 4.691 20 0 JJADRN CC(C)OCCCCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360382921 1065245248 /nfs/dbraw/zinc/24/52/48/1065245248.db2.gz FXHNEUQVEIPDME-LVXARBLLSA-N 0 0 456.631 4.648 20 0 JJADRN CC(C)OCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360383397 1065245621 /nfs/dbraw/zinc/24/56/21/1065245621.db2.gz RUEDJDJMYOHOCX-FPOVZHCZSA-N 0 0 489.636 4.503 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H](C[C@H]3CCCO3)C(F)(F)F)c2)c1 ZINC001436198489 1065246358 /nfs/dbraw/zinc/24/63/58/1065246358.db2.gz BNTGZWZOTWOMCW-IERDGZPVSA-N 0 0 453.457 4.860 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCC(=O)N[C@@H](C)c3ccccc3)s2)cc1 ZINC001360384189 1065246932 /nfs/dbraw/zinc/24/69/32/1065246932.db2.gz PBGOYDFEKMWZRZ-DLBZAZTESA-N 0 0 451.592 4.962 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(N4CCOCC4)c(C)c3)s2)cc1 ZINC001360384121 1065247046 /nfs/dbraw/zinc/24/70/46/1065247046.db2.gz NLVUWOIVXBWJGY-QGZVFWFLSA-N 0 0 451.592 4.763 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1OC(C)(C)C ZINC001360384697 1065247324 /nfs/dbraw/zinc/24/73/24/1065247324.db2.gz ZYPLEXSIGIAZHM-AWEZNQCLSA-N 0 0 454.386 4.675 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3S[C@H](C)C(N)=O)s2)cc1 ZINC001360384453 1065247357 /nfs/dbraw/zinc/24/73/57/1065247357.db2.gz WPNCYUUDBFONIU-UKRRQHHQSA-N 0 0 455.605 4.584 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cc3csc(NC(=O)C(C)C)n3)s2)cc1 ZINC001360384352 1065247448 /nfs/dbraw/zinc/24/74/48/1065247448.db2.gz UNHDGPWEFLMGAA-CYBMUJFWSA-N 0 0 458.609 4.598 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001360385269 1065247944 /nfs/dbraw/zinc/24/79/44/1065247944.db2.gz AXKJNCNRSFBQKA-FQEVSTJZSA-N 0 0 491.409 4.737 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360385218 1065248018 /nfs/dbraw/zinc/24/80/18/1065248018.db2.gz AGCZNGAEKSIEAT-GOSISDBHSA-N 0 0 460.928 4.961 20 0 JJADRN CC(C)OCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360385289 1065248059 /nfs/dbraw/zinc/24/80/59/1065248059.db2.gz BHSQFZJHEITZNL-KRWDZBQOSA-N 0 0 465.520 4.579 20 0 JJADRN CC(C)OCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360385637 1065248521 /nfs/dbraw/zinc/24/85/21/1065248521.db2.gz HNGAVYPCJPQDFZ-XLIONFOSSA-N 0 0 478.037 4.763 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001360385406 1065248591 /nfs/dbraw/zinc/24/85/91/1065248591.db2.gz DILUCOLPCGALOP-UHFFFAOYSA-N 0 0 468.001 4.908 20 0 JJADRN CC(C)OCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360385630 1065248605 /nfs/dbraw/zinc/24/86/05/1065248605.db2.gz HNGAVYPCJPQDFZ-FXAWDEMLSA-N 0 0 478.037 4.763 20 0 JJADRN COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](C)C3)cc2c1OCCO2 ZINC001436202966 1065248977 /nfs/dbraw/zinc/24/89/77/1065248977.db2.gz UKWFGMPDWCNGOG-CYBMUJFWSA-N 0 0 459.564 4.860 20 0 JJADRN 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CC(C)OCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360390953 1065255328 /nfs/dbraw/zinc/25/53/28/1065255328.db2.gz RBDIDYZOTKFNLZ-WXFUMESZSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)C(C)C ZINC001360391773 1065255890 /nfs/dbraw/zinc/25/58/90/1065255890.db2.gz CEZKSGZRVFJAIB-QFIPXVFZSA-N 0 0 458.591 4.638 20 0 JJADRN COc1ccccc1C1(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CCCCC1 ZINC001360391713 1065256017 /nfs/dbraw/zinc/25/60/17/1065256017.db2.gz YZMWYSNSXNCDBA-UHFFFAOYSA-N 0 0 459.384 4.723 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001436213593 1065256067 /nfs/dbraw/zinc/25/60/67/1065256067.db2.gz IHNFLHQYQSODEM-AVRDEDQJSA-N 0 0 459.011 4.699 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@@H](Cc3cccc(Br)c3)CC(C)C)C2=O)cc1 ZINC001360392581 1065256474 /nfs/dbraw/zinc/25/64/74/1065256474.db2.gz RQUGLHPWYSVOPV-DENIHFKCSA-N 0 0 457.412 4.884 20 0 JJADRN CC(C)OCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 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456.631 4.518 20 0 JJADRN COCCc1ccnc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 ZINC001436217261 1065258605 /nfs/dbraw/zinc/25/86/05/1065258605.db2.gz OQICQJMEDKWZIC-UHFFFAOYSA-N 0 0 454.324 4.538 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cncc(Cl)c1Br)O[C@@H](C)C2 ZINC001436217071 1065258618 /nfs/dbraw/zinc/25/86/18/1065258618.db2.gz MIGCJKYUADBYDN-JKOKRWQUSA-N 0 0 451.748 4.962 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cncc(Cl)c1Br)O[C@H](C)C2 ZINC001436217073 1065258698 /nfs/dbraw/zinc/25/86/98/1065258698.db2.gz MIGCJKYUADBYDN-OSMZGAPFSA-N 0 0 451.748 4.962 20 0 JJADRN CCc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1Cl ZINC001436217527 1065259025 /nfs/dbraw/zinc/25/90/25/1065259025.db2.gz ITVIIZREDQDTAZ-UHFFFAOYSA-N 0 0 456.949 4.681 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001360395348 1065259667 /nfs/dbraw/zinc/25/96/67/1065259667.db2.gz AHWIYGMXSACKJG-ZFWWWQNUSA-N 0 0 457.290 4.630 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N[C@@H]3CCN(c4ccccc4Br)C3)cs2)c1 ZINC001360395605 1065259995 /nfs/dbraw/zinc/25/99/95/1065259995.db2.gz IIJBCFDUZJWFGT-QGZVFWFLSA-N 0 0 456.409 4.819 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001360395959 1065260161 /nfs/dbraw/zinc/26/01/61/1065260161.db2.gz UOXJULRFQHLOLF-CZUORRHYSA-N 0 0 452.190 4.710 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001360395986 1065260186 /nfs/dbraw/zinc/26/01/86/1065260186.db2.gz VLRIQENMLFLFBL-SWLSCSKDSA-N 0 0 458.183 4.918 20 0 JJADRN CC(C)OCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1Cl ZINC001360396240 1065260647 /nfs/dbraw/zinc/26/06/47/1065260647.db2.gz BOXPXJBUPOHZLR-UHFFFAOYSA-N 0 0 466.811 4.761 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001436219196 1065260788 /nfs/dbraw/zinc/26/07/88/1065260788.db2.gz KAWNXGKKHLSOOK-VQIMIIECSA-N 0 0 456.574 4.649 20 0 JJADRN CC(C)OCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360396500 1065261016 /nfs/dbraw/zinc/26/10/16/1065261016.db2.gz IRTPBKJBYRCSRS-GASCZTMLSA-N 0 0 457.363 4.860 20 0 JJADRN CC(C)OCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360396767 1065261113 /nfs/dbraw/zinc/26/11/13/1065261113.db2.gz PJOSRQLIKNJSPQ-HNNXBMFYSA-N 0 0 464.433 4.829 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001436220142 1065261221 /nfs/dbraw/zinc/26/12/21/1065261221.db2.gz ZGCYONKSXZDMFZ-UHFFFAOYSA-N 0 0 456.258 4.825 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001360397442 1065261801 /nfs/dbraw/zinc/26/18/01/1065261801.db2.gz LIVJMFVLZIIDQI-IFXJQAMLSA-N 0 0 483.838 4.790 20 0 JJADRN CC(C)OCCn1c(-c2cccc(Br)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360396972 1065261851 /nfs/dbraw/zinc/26/18/51/1065261851.db2.gz TZELDHMKGOBJNW-UHFFFAOYSA-N 0 0 493.837 4.824 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360397668 1065262262 /nfs/dbraw/zinc/26/22/62/1065262262.db2.gz SIVVHLJXHFFKMB-RTBURBONSA-N 0 0 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ZINC001436223467 1065264070 /nfs/dbraw/zinc/26/40/70/1065264070.db2.gz UFTJAUCCMMIJTJ-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)OCc2ccccc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360399797 1065264330 /nfs/dbraw/zinc/26/43/30/1065264330.db2.gz JMHRTEGDDIUKRF-CPJSRVTESA-N 0 0 451.588 4.518 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1Cl ZINC001360399714 1065264360 /nfs/dbraw/zinc/26/43/60/1065264360.db2.gz YFMIWMOMFBZTQT-UHFFFAOYSA-N 0 0 450.370 4.587 20 0 JJADRN Cc1ccc([C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360400095 1065264492 /nfs/dbraw/zinc/26/44/92/1065264492.db2.gz LVGDMBDYPKNUNS-DEOSSOPVSA-N 0 0 459.970 4.948 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CCc1cc(Br)ccc1F ZINC001360400778 1065264903 /nfs/dbraw/zinc/26/49/03/1065264903.db2.gz RKJDRYXLDVRSCV-CRAIPNDOSA-N 0 0 457.384 4.721 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Cl)cc1 ZINC001436225815 1065264985 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CCQXTWLYSBJWFW-MSOLQXFVSA-N 0 0 452.707 4.591 20 0 JJADRN CO[C@](C)(C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)C(=O)OC(C)(C)C ZINC001360422599 1065289187 /nfs/dbraw/zinc/28/91/87/1065289187.db2.gz GFLKFTIBGPBCAE-HSZRJFAPSA-N 0 0 455.536 4.683 20 0 JJADRN O=C(Nc1nnc2ccc(Br)cn21)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001436293955 1065289214 /nfs/dbraw/zinc/28/92/14/1065289214.db2.gz MHFHXWBZWIGXOW-UHFFFAOYSA-N 0 0 455.914 4.753 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC001360422788 1065289492 /nfs/dbraw/zinc/28/94/92/1065289492.db2.gz IKOICCZEBYXXFG-UHFFFAOYSA-N 0 0 459.346 4.850 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001436295124 1065289799 /nfs/dbraw/zinc/28/97/99/1065289799.db2.gz HVKVUYIOPGKTOQ-PKTZIBPZSA-N 0 0 455.961 4.911 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1noc(C)n1 ZINC001360423192 1065290629 /nfs/dbraw/zinc/29/06/29/1065290629.db2.gz PSIQOSPHIIAELJ-IBGZPJMESA-N 0 0 452.363 4.832 20 0 JJADRN 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/nfs/dbraw/zinc/31/25/15/1065312515.db2.gz LFYTXXDXMCENBX-UHFFFAOYSA-N 0 0 455.679 4.758 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC001436412129 1065312535 /nfs/dbraw/zinc/31/25/35/1065312535.db2.gz HKBLRUDCEOGKFJ-UHFFFAOYSA-N 0 0 458.562 4.680 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1COCCO1 ZINC001360433889 1065313308 /nfs/dbraw/zinc/31/33/08/1065313308.db2.gz WTNXAJDDCVORGM-CZUORRHYSA-N 0 0 481.391 4.521 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccn1 ZINC001436419875 1065314110 /nfs/dbraw/zinc/31/41/10/1065314110.db2.gz YYSXFILOXHQJHJ-NRFANRHFSA-N 0 0 450.878 4.704 20 0 JJADRN COc1nc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc2ccccc21 ZINC001360434713 1065314486 /nfs/dbraw/zinc/31/44/86/1065314486.db2.gz PBYYZVHHXGMAHV-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN Cc1ccnn1-c1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 ZINC001360435097 1065315054 /nfs/dbraw/zinc/31/50/54/1065315054.db2.gz ZXFRLWREGYGEBM-UHFFFAOYSA-N 0 0 450.340 4.904 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)cc1 ZINC001360435392 1065315080 /nfs/dbraw/zinc/31/50/80/1065315080.db2.gz DOIZXQFSYLNGKK-DVECYGJZSA-N 0 0 456.608 4.624 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)cc1 ZINC001436425184 1065315201 /nfs/dbraw/zinc/31/52/01/1065315201.db2.gz JJUPRUYQHUFOFQ-HSZRJFAPSA-N 0 0 459.015 4.795 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Oc3ccc(/C=C\c4cccc(OC)c4)cc3)CC2=O)cc1 ZINC001436424834 1065315275 /nfs/dbraw/zinc/31/52/75/1065315275.db2.gz CAWWNJHTHNTGBP-KSEXMQBYSA-N 0 0 457.526 4.828 20 0 JJADRN C/C(=C/C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001360436088 1065315983 /nfs/dbraw/zinc/31/59/83/1065315983.db2.gz QAGLAOXKVCOUIV-QTIWRUEGSA-N 0 0 452.904 4.952 20 0 JJADRN COc1cccc(/C=C/c2ccc(OC(=O)[C@@H]3CC(c4cc(OC)ccc4OC)=NO3)cc2)c1 ZINC001436427502 1065315972 /nfs/dbraw/zinc/31/59/72/1065315972.db2.gz LPOAAFXLGHANRD-GJTXFRBNSA-N 0 0 459.498 4.981 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1)[C@@H]1C[C@@H]1C ZINC001436427573 1065316013 /nfs/dbraw/zinc/31/60/13/1065316013.db2.gz NHCCSWJFQLJTSS-FDDCHVKYSA-N 0 0 454.592 4.563 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1)[C@@H]1C[C@H]1C ZINC001436427576 1065316035 /nfs/dbraw/zinc/31/60/35/1065316035.db2.gz NHCCSWJFQLJTSS-WZONZLPQSA-N 0 0 454.592 4.563 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC1CC(F)(F)C1)Nc1ccc(SC(F)F)cc1 ZINC001436430589 1065317203 /nfs/dbraw/zinc/31/72/03/1065317203.db2.gz JNRGSFXFYMWXQW-UHFFFAOYSA-N 0 0 456.461 4.794 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1CCCCNC(=O)OC(C)(C)C ZINC001360437077 1065317218 /nfs/dbraw/zinc/31/72/18/1065317218.db2.gz BVZDXZIHIODQHV-LJQANCHMSA-N 0 0 482.604 4.905 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360437275 1065317921 /nfs/dbraw/zinc/31/79/21/1065317921.db2.gz GSHSVJWJKRLDNS-MYZZLAAOSA-N 0 0 488.551 4.810 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CC[C@H](C)c1ccccc1 ZINC001545897507 1065317905 /nfs/dbraw/zinc/31/79/05/1065317905.db2.gz AQMOXIBJGGTURI-XUZZJYLKSA-N 0 0 477.657 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CSc2ccccc21 ZINC001436436265 1065318777 /nfs/dbraw/zinc/31/87/77/1065318777.db2.gz KOHDVGDSBOFDAB-UWJYYQICSA-N 0 0 451.592 4.609 20 0 JJADRN Cc1cccc(C(=O)NC/C=C\c2ccc(Br)cc2)c1I ZINC001436440617 1065319599 /nfs/dbraw/zinc/31/95/99/1065319599.db2.gz BEZWPZFACPOUED-HYXAFXHYSA-N 0 0 456.121 4.805 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC1(F)CCC1 ZINC001360437962 1065319962 /nfs/dbraw/zinc/31/99/62/1065319962.db2.gz VEYYFBBAPWPRJN-INIZCTEOSA-N 0 0 459.566 4.888 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360437956 1065319976 /nfs/dbraw/zinc/31/99/76/1065319976.db2.gz VBWAUGKACAFQMV-GOSISDBHSA-N 0 0 490.549 4.875 20 0 JJADRN O=C(NC/C=C/c1ccc(Br)cc1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436444543 1065320358 /nfs/dbraw/zinc/32/03/58/1065320358.db2.gz LLICKYMSKYYUHT-JLXBBBJOSA-N 0 0 457.368 4.770 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360438654 1065320454 /nfs/dbraw/zinc/32/04/54/1065320454.db2.gz CUWKHKKCJYXZDU-INDDNBPWSA-N 0 0 491.702 4.814 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)C12CCC2 ZINC001360438558 1065320557 /nfs/dbraw/zinc/32/05/57/1065320557.db2.gz HBYQQGSVZDYEQU-IRXDYDNUSA-N 0 0 451.386 4.659 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccsc1 ZINC001360439271 1065320995 /nfs/dbraw/zinc/32/09/95/1065320995.db2.gz HJJYGEAYCVKBOJ-MMSMTGBTSA-N 0 0 472.680 4.840 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC001436445774 1065321057 /nfs/dbraw/zinc/32/10/57/1065321057.db2.gz QQJYHRNOBYXEBW-VQTJNVASSA-N 0 0 462.359 4.608 20 0 JJADRN CCCCCn1nc(C(=O)NC/C=C/c2ccc(Br)cc2)c2ccccc2c1=O ZINC001436445923 1065321127 /nfs/dbraw/zinc/32/11/27/1065321127.db2.gz QYKIBWKHQMKDST-BQYQJAHWSA-N 0 0 454.368 4.792 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1cccs1 ZINC001360438883 1065321200 /nfs/dbraw/zinc/32/12/00/1065321200.db2.gz DFOAWTIYUSFBAJ-YLJYHZDGSA-N 0 0 488.679 4.770 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001436448166 1065321448 /nfs/dbraw/zinc/32/14/48/1065321448.db2.gz ZVIDZBOUBLKOKB-OXFYSEKESA-N 0 0 454.514 4.624 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCCC(C)(C)C ZINC001360439854 1065322176 /nfs/dbraw/zinc/32/21/76/1065322176.db2.gz MRTKVPNBGOVDMC-IBGZPJMESA-N 0 0 469.655 4.691 20 0 JJADRN Cc1cc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001436458172 1065323129 /nfs/dbraw/zinc/32/31/29/1065323129.db2.gz YBSSZIXCYAUVPF-UHFFFAOYSA-N 0 0 459.859 4.969 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001436457854 1065323207 /nfs/dbraw/zinc/32/32/07/1065323207.db2.gz FCSWULLDJBDZPA-UHFFFAOYSA-N 0 0 452.824 4.962 20 0 JJADRN CCc1nc(C(C)C)ccc1COC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001436459249 1065323818 /nfs/dbraw/zinc/32/38/18/1065323818.db2.gz LAXKDUWMFSTRJI-HSZRJFAPSA-N 0 0 451.567 4.787 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1CCCC1CCCC1 ZINC001360440447 1065324154 /nfs/dbraw/zinc/32/41/54/1065324154.db2.gz RVGGXSDZIDUUJT-UPTQXZAWSA-N 0 0 452.628 4.640 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001360440464 1065324246 /nfs/dbraw/zinc/32/42/46/1065324246.db2.gz SBPFNAVWWCFKQK-VRRHDZTQSA-N 0 0 458.672 4.716 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1 ZINC001436461615 1065324327 /nfs/dbraw/zinc/32/43/27/1065324327.db2.gz HPXFNLQIVVGEKR-UHFFFAOYSA-N 0 0 457.939 4.857 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1Cc1ccncc1Cl ZINC001360440783 1065324986 /nfs/dbraw/zinc/32/49/86/1065324986.db2.gz XEHTZIMBRRFJHB-RKXCMPKHSA-N 0 0 458.031 4.967 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)cc2F)n1 ZINC001436464420 1065325132 /nfs/dbraw/zinc/32/51/32/1065325132.db2.gz AJCCWYGALHFHOD-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC(C)(F)F ZINC001360441437 1065325549 /nfs/dbraw/zinc/32/55/49/1065325549.db2.gz CQZUAQPQDZIVNF-DHMKHTPVSA-N 0 0 452.596 4.911 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360440928 1065325755 /nfs/dbraw/zinc/32/57/55/1065325755.db2.gz ZHTXFWRWJHPCAY-SBKKAIJHSA-N 0 0 488.608 4.886 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCOc1ncccc1Cl ZINC001360441671 1065326353 /nfs/dbraw/zinc/32/63/53/1065326353.db2.gz FSYNEHVOEPGAHT-GTOJURISSA-N 0 0 490.073 4.929 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCOc1ncccc1Cl ZINC001360441674 1065326448 /nfs/dbraw/zinc/32/64/48/1065326448.db2.gz FSYNEHVOEPGAHT-UGAOPGRHSA-N 0 0 490.073 4.929 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccc(C)c(I)c1 ZINC001436471232 1065327711 /nfs/dbraw/zinc/32/77/11/1065327711.db2.gz XIJOBWNXPFULCJ-GOSISDBHSA-N 0 0 450.272 4.621 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccc(C)c(I)c1 ZINC001436471241 1065327785 /nfs/dbraw/zinc/32/77/85/1065327785.db2.gz XIJOBWNXPFULCJ-SFHVURJKSA-N 0 0 450.272 4.621 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c1)C(C)(C)C2 ZINC001436475425 1065328454 /nfs/dbraw/zinc/32/84/54/1065328454.db2.gz SDIVNGJAJNKMCX-WOJBJXKFSA-N 0 0 454.636 4.639 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001436477576 1065328972 /nfs/dbraw/zinc/32/89/72/1065328972.db2.gz JEIWMXNSDYLMFP-HSZRJFAPSA-N 0 0 450.601 4.521 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1 ZINC001436477720 1065329037 /nfs/dbraw/zinc/32/90/37/1065329037.db2.gz KMJYMAGMMWNLKM-UHFFFAOYSA-N 0 0 453.276 4.542 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)s1 ZINC001360443392 1065329201 /nfs/dbraw/zinc/32/92/01/1065329201.db2.gz YSPFSSVSNADNCC-RPPAHSPXSA-N 0 0 479.071 4.870 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001360443116 1065329348 /nfs/dbraw/zinc/32/93/48/1065329348.db2.gz WNBFEYPJGGACSS-ZDKAIYKHSA-N 0 0 488.698 4.530 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)NC3(Cc4ccc(F)cc4)CCOCC3)n2)cc1 ZINC001436479681 1065329766 /nfs/dbraw/zinc/32/97/66/1065329766.db2.gz XQRRPOOEUQDOJK-UHFFFAOYSA-N 0 0 451.542 4.840 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)/C=C/c2ccccc2OC(F)(F)F)C1=O ZINC001436477923 1065329803 /nfs/dbraw/zinc/32/98/03/1065329803.db2.gz XLNSTRRUNOOCJR-WNSBAQCNSA-N 0 0 450.432 4.606 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C(C)(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360443627 1065330065 /nfs/dbraw/zinc/33/00/65/1065330065.db2.gz CZUJFMRDLADZEI-OAHLLOKOSA-N 0 0 467.561 4.639 20 0 JJADRN COc1nc(COC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)c(C)cc1C ZINC001436481679 1065330553 /nfs/dbraw/zinc/33/05/53/1065330553.db2.gz FOWNMFCRLPYSAJ-UHFFFAOYSA-N 0 0 456.340 4.501 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360444116 1065330689 /nfs/dbraw/zinc/33/06/89/1065330689.db2.gz NBKHFTAEYNBIBK-WIYYLYMNSA-N 0 0 478.597 4.643 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001436484796 1065331314 /nfs/dbraw/zinc/33/13/14/1065331314.db2.gz ASCNJXYSERCWPJ-UHFFFAOYSA-N 0 0 456.589 4.632 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)C2CCOCC2)c1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001436484789 1065331326 /nfs/dbraw/zinc/33/13/26/1065331326.db2.gz ALORCMWDKHSARS-DEOSSOPVSA-N 0 0 457.592 4.526 20 0 JJADRN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436484990 1065331342 /nfs/dbraw/zinc/33/13/42/1065331342.db2.gz AQMXQGDDGBHHOA-MRXNPFEDSA-N 0 0 456.306 4.652 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360444390 1065332083 /nfs/dbraw/zinc/33/20/83/1065332083.db2.gz SPKLPWLRBRWFSQ-ZDUSSCGKSA-N 0 0 491.905 4.697 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 ZINC001436489742 1065333186 /nfs/dbraw/zinc/33/31/86/1065333186.db2.gz XVNIPKSHSHWEBK-IBGZPJMESA-N 0 0 454.567 4.916 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001436488998 1065333218 /nfs/dbraw/zinc/33/32/18/1065333218.db2.gz IUWKFBAJMXPPAT-ZIAGYGMSSA-N 0 0 451.489 4.776 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccncc2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360445615 1065333701 /nfs/dbraw/zinc/33/37/01/1065333701.db2.gz GBGWRKUBUZFCHR-HNNXBMFYSA-N 0 0 488.539 4.885 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001436489875 1065333726 /nfs/dbraw/zinc/33/37/26/1065333726.db2.gz YJMAOKRXHGRXLF-UHFFFAOYSA-N 0 0 454.548 4.670 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccsc1 ZINC001360445597 1065333794 /nfs/dbraw/zinc/33/37/94/1065333794.db2.gz FVFJNEMDRDXQSM-KRWDZBQOSA-N 0 0 481.025 4.759 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCSC1(C)C ZINC001360445517 1065333856 /nfs/dbraw/zinc/33/38/56/1065333856.db2.gz DMQBNPNVXVZYEC-QUCCMNQESA-N 0 0 457.688 4.763 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)cc1OC ZINC001436492336 1065334303 /nfs/dbraw/zinc/33/43/03/1065334303.db2.gz SYTHGIOIRFDHJG-UHFFFAOYSA-N 0 0 459.340 4.659 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)co1)c1cc(I)cc(C(F)(F)F)c1 ZINC001436493306 1065334490 /nfs/dbraw/zinc/33/44/90/1065334490.db2.gz FNNVMQFCLPBYGC-UHFFFAOYSA-N 0 0 450.076 4.569 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCCCC1(F)F ZINC001360445886 1065335006 /nfs/dbraw/zinc/33/50/06/1065335006.db2.gz KUSBTBAUSRZRDW-TZIWHRDSSA-N 0 0 482.579 4.821 20 0 JJADRN O=C(O[C@H](c1cccc(Br)n1)C(F)(F)F)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001436493601 1065335130 /nfs/dbraw/zinc/33/51/30/1065335130.db2.gz URSLUDGIAQXCMZ-PSTGCABASA-N 0 0 458.230 4.566 20 0 JJADRN 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451.535 4.563 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCCS(C)(=O)=O ZINC001360454448 1065352102 /nfs/dbraw/zinc/35/21/02/1065352102.db2.gz JYVPDMGCHYKKGY-INIZCTEOSA-N 0 0 450.992 4.604 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3csc(Cc4ccc(C)cc4)n3)c2)ccn1 ZINC001436540864 1065352086 /nfs/dbraw/zinc/35/20/86/1065352086.db2.gz IQDATVGQXZQODQ-UHFFFAOYSA-N 0 0 458.543 4.842 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC1CCOCC1 ZINC001360454655 1065352559 /nfs/dbraw/zinc/35/25/59/1065352559.db2.gz OYIQDYGYELDURQ-OAHLLOKOSA-N 0 0 462.392 4.653 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC001436541432 1065352802 /nfs/dbraw/zinc/35/28/02/1065352802.db2.gz DMMKMWXEGYPNFA-DEOSSOPVSA-N 0 0 452.551 4.848 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360454638 1065352638 /nfs/dbraw/zinc/35/26/38/1065352638.db2.gz OODWWGDQKLBBAU-NEPJUHHUSA-N 0 0 473.343 4.984 20 0 JJADRN Cc1csc([C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C(F)(F)F)n1 ZINC001436542985 1065353229 /nfs/dbraw/zinc/35/32/29/1065353229.db2.gz ZSGXRNWTFMNUSS-LKFCYVNXSA-N 0 0 452.285 4.531 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC(F)(F)C1 ZINC001360454910 1065354204 /nfs/dbraw/zinc/35/42/04/1065354204.db2.gz VJAXRRXPWZQQFM-AWEZNQCLSA-N 0 0 463.916 4.697 20 0 JJADRN COCCOc1ccccc1C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@H](C)c1ccccc1 ZINC001436546860 1065354473 /nfs/dbraw/zinc/35/44/73/1065354473.db2.gz BCSZMISTSPIZND-GOSISDBHSA-N 0 0 450.510 4.903 20 0 JJADRN COC1(CCNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)CCC1 ZINC001436548470 1065354816 /nfs/dbraw/zinc/35/48/16/1065354816.db2.gz IMZWBHYDUZYPTP-UHFFFAOYSA-N 0 0 451.823 4.868 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CC[C@]2(C1)CCc1ccccc1O2)C(=O)OC(C)(C)C ZINC001436548314 1065354981 /nfs/dbraw/zinc/35/49/81/1065354981.db2.gz AFMMHNPJBUKGHV-MHZLTWQESA-N 0 0 450.579 4.706 20 0 JJADRN 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1065356816 /nfs/dbraw/zinc/35/68/16/1065356816.db2.gz VBNDGTRVRGOALP-CQSZACIVSA-N 0 0 458.331 4.978 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC001436551052 1065356918 /nfs/dbraw/zinc/35/69/18/1065356918.db2.gz PBLUIJIXUZEQEN-LJQANCHMSA-N 0 0 451.158 4.822 20 0 JJADRN O=C(Nc1ccc(Br)c(C2CC2)n1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001436551803 1065357551 /nfs/dbraw/zinc/35/75/51/1065357551.db2.gz LFAHCRLRFHVNDH-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001436553132 1065357907 /nfs/dbraw/zinc/35/79/07/1065357907.db2.gz IIWWIOJOZJJNER-UHFFFAOYSA-N 0 0 459.907 4.575 20 0 JJADRN COc1ccc(CCC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1OC ZINC001436553685 1065358090 /nfs/dbraw/zinc/35/80/90/1065358090.db2.gz JOWOERSVJNJJNJ-UHFFFAOYSA-N 0 0 456.901 4.888 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)NC1CCCCC1 ZINC001360458436 1065358261 /nfs/dbraw/zinc/35/82/61/1065358261.db2.gz JJIMFDSVOMWKMP-SFHVURJKSA-N 0 0 453.562 4.637 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)CCc3cccc(OC(F)F)c3)cc2F)ccn1 ZINC001436554341 1065358627 /nfs/dbraw/zinc/35/86/27/1065358627.db2.gz DUVRTSXJPJTRSD-UHFFFAOYSA-N 0 0 459.424 4.545 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)ccc1F ZINC001436554135 1065358716 /nfs/dbraw/zinc/35/87/16/1065358716.db2.gz QCGPMEULUSGNFC-UHFFFAOYSA-N 0 0 459.836 4.869 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)ccc1Br ZINC001436554296 1065358772 /nfs/dbraw/zinc/35/87/72/1065358772.db2.gz CINWOYGXCLDUTQ-UHFFFAOYSA-N 0 0 458.805 4.566 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360458992 1065359345 /nfs/dbraw/zinc/35/93/45/1065359345.db2.gz RMAIRNUTDSOARL-OAHLLOKOSA-N 0 0 474.462 4.850 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360458991 1065359375 /nfs/dbraw/zinc/35/93/75/1065359375.db2.gz RMAIRNUTDSOARL-HNNXBMFYSA-N 0 0 474.462 4.850 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC001436556259 1065360710 /nfs/dbraw/zinc/36/07/10/1065360710.db2.gz JSJZQSFCGQAAFJ-HXUWFJFHSA-N 0 0 455.565 4.953 20 0 JJADRN CCc1nnc(CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)s1 ZINC001436560045 1065362665 /nfs/dbraw/zinc/36/26/65/1065362665.db2.gz LGEZXKHROIWWOU-INIZCTEOSA-N 0 0 459.399 4.632 20 0 JJADRN CCSc1cccc(F)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC001436561343 1065363250 /nfs/dbraw/zinc/36/32/50/1065363250.db2.gz JRZQKZSRTVUXTJ-HZPDHXFCSA-N 0 0 450.601 4.857 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)cc1OC ZINC001436561319 1065363389 /nfs/dbraw/zinc/36/33/89/1065363389.db2.gz WRIWQNXZMSMWQY-ZDUSSCGKSA-N 0 0 452.345 4.673 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@](C)(O)C1CC1 ZINC001360460576 1065363400 /nfs/dbraw/zinc/36/34/00/1065363400.db2.gz CLUPPNIDGZGSRM-QRQCRPRQSA-N 0 0 475.387 4.571 20 0 JJADRN Cc1c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cnn1-c1ccc(Cl)cc1 ZINC001436562179 1065364055 /nfs/dbraw/zinc/36/40/55/1065364055.db2.gz AEUVTOWAETWNIS-UHFFFAOYSA-N 0 0 455.923 4.653 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C ZINC001360460972 1065364568 /nfs/dbraw/zinc/36/45/68/1065364568.db2.gz KOXJRHDODDFNMY-CQSZACIVSA-N 0 0 457.007 4.647 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360460969 1065364615 /nfs/dbraw/zinc/36/46/15/1065364615.db2.gz KNBBKSYJIFRZNT-INMHGKMJSA-N 0 0 478.460 4.856 20 0 JJADRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001436562407 1065364601 /nfs/dbraw/zinc/36/46/01/1065364601.db2.gz GLOKJRHKLXRCBV-UHFFFAOYSA-N 0 0 454.408 4.959 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC001436563222 1065364620 /nfs/dbraw/zinc/36/46/20/1065364620.db2.gz QKZLPCGDRACKMP-UHFFFAOYSA-N 0 0 459.999 4.552 20 0 JJADRN COCCCOc1cccc(C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)c1 ZINC001436563880 1065365257 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CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC ZINC001436565769 1065367338 /nfs/dbraw/zinc/36/73/38/1065367338.db2.gz PJBOAWWICYRFLP-HNNXBMFYSA-N 0 0 456.720 4.694 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1 ZINC001436566547 1065367746 /nfs/dbraw/zinc/36/77/46/1065367746.db2.gz IMTZHJWRPIRIGA-TZIWHRDSSA-N 0 0 451.567 4.665 20 0 JJADRN CSc1nc(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c2ccccn21 ZINC001436566607 1065367755 /nfs/dbraw/zinc/36/77/55/1065367755.db2.gz INKSKPZGSCHIQE-GOSISDBHSA-N 0 0 454.596 4.832 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC001436566867 1065368456 /nfs/dbraw/zinc/36/84/56/1065368456.db2.gz UGZMAWGYBGBRDU-RTBURBONSA-N 0 0 456.512 4.950 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(C)(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360461592 1065368467 /nfs/dbraw/zinc/36/84/67/1065368467.db2.gz XYJHIQFASXMHKZ-CQSZACIVSA-N 0 0 457.591 4.995 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC001436566865 1065368600 /nfs/dbraw/zinc/36/86/00/1065368600.db2.gz UGZMAWGYBGBRDU-KDURUIRLSA-N 0 0 456.512 4.950 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001436567248 1065369129 /nfs/dbraw/zinc/36/91/29/1065369129.db2.gz VJMIRLXYMWNGFA-SQNIBIBYSA-N 0 0 456.512 4.953 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC1CCCCC1 ZINC001360461687 1065369064 /nfs/dbraw/zinc/36/90/64/1065369064.db2.gz ZVWJGZDEAFLXTN-GOSISDBHSA-N 0 0 469.561 4.626 20 0 JJADRN CCOCc1nc([C@H](C)NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)no1 ZINC001436568508 1065369651 /nfs/dbraw/zinc/36/96/51/1065369651.db2.gz UHOYLOHFKVPYNH-AWEZNQCLSA-N 0 0 454.577 4.878 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cnc(-c2cccnc2)s1)c1ccccc1 ZINC001436568205 1065369813 /nfs/dbraw/zinc/36/98/13/1065369813.db2.gz QQFBNUFYYPNBIM-IBGZPJMESA-N 0 0 452.580 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001436568424 1065369846 /nfs/dbraw/zinc/36/98/46/1065369846.db2.gz OWCOZUJDQSSYTG-QGZVFWFLSA-N 0 0 452.567 4.986 20 0 JJADRN Cc1ccc(-c2nn(C)cc2C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)o1 ZINC001436568218 1065369859 /nfs/dbraw/zinc/36/98/59/1065369859.db2.gz QURONTXIELHAOI-HXUWFJFHSA-N 0 0 452.555 4.765 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360461819 1065369930 /nfs/dbraw/zinc/36/99/30/1065369930.db2.gz CALFPOOPUXVACP-QFBILLFUSA-N 0 0 496.637 4.883 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436568886 1065370521 /nfs/dbraw/zinc/37/05/21/1065370521.db2.gz YVOWXSOKLLKPCO-KNQAVFIVSA-N 0 0 459.631 4.624 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1ccc(OCCOC)cc1Cl ZINC001436570261 1065371112 /nfs/dbraw/zinc/37/11/12/1065371112.db2.gz YVMIDQCUGQJXGD-UHFFFAOYSA-N 0 0 451.850 4.875 20 0 JJADRN COc1cncnc1NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001436569536 1065371172 /nfs/dbraw/zinc/37/11/72/1065371172.db2.gz AEVLCZFVKQIKKV-YQVWRLOYSA-N 0 0 457.596 4.834 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001436569435 1065371346 /nfs/dbraw/zinc/37/13/46/1065371346.db2.gz HPQSKJHBIQNVJY-UHFFFAOYSA-N 0 0 450.479 4.577 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)Nc1nccn1Cc1ccccc1 ZINC001436571046 1065372027 /nfs/dbraw/zinc/37/20/27/1065372027.db2.gz OSHJBFVRGZLUMY-UHFFFAOYSA-N 0 0 459.331 4.888 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001360463117 1065371847 /nfs/dbraw/zinc/37/18/47/1065371847.db2.gz QHQGDSIASQKSPU-BEFAXECRSA-N 0 0 483.535 4.606 20 0 JJADRN C[C@@H](OC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001436572030 1065372623 /nfs/dbraw/zinc/37/26/23/1065372623.db2.gz APCXPNDVBMOSJY-OAHLLOKOSA-N 0 0 455.967 4.895 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001360464088 1065373159 /nfs/dbraw/zinc/37/31/59/1065373159.db2.gz ZCNSFFSKTUNABP-WMZOPIPTSA-N 0 0 471.593 4.705 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cs1)C(N)=O ZINC001436574551 1065374470 /nfs/dbraw/zinc/37/44/70/1065374470.db2.gz SBDIHTPOHIOIKQ-WMLDXEAASA-N 0 0 458.436 4.616 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2ccccc2F)n1Cc1ncnn1C(C)(C)C ZINC001360465791 1065374479 /nfs/dbraw/zinc/37/44/79/1065374479.db2.gz APVOCVOFUVBSRN-MRXNPFEDSA-N 0 0 453.591 4.662 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(C)(C)O)CC1 ZINC001360465807 1065374609 /nfs/dbraw/zinc/37/46/09/1065374609.db2.gz AVKQFHZQVZJKLA-QGZVFWFLSA-N 0 0 491.608 4.652 20 0 JJADRN CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001360465149 1065374673 /nfs/dbraw/zinc/37/46/73/1065374673.db2.gz NHTWPKSTZVEQLQ-RBUKOAKNSA-N 0 0 452.389 4.826 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360465780 1065374687 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4.929 20 0 JJADRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001436578808 1065378278 /nfs/dbraw/zinc/37/82/78/1065378278.db2.gz JRDPAVDWQGYBFT-RDAFOJIHSA-N 0 0 456.970 4.929 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001436579531 1065378373 /nfs/dbraw/zinc/37/83/73/1065378373.db2.gz OZASXMFXZHBTQN-QFIPXVFZSA-N 0 0 451.567 4.714 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H]1[C@H]1CCCO1 ZINC001436580073 1065378615 /nfs/dbraw/zinc/37/86/15/1065378615.db2.gz OSYABYGRMQKPSB-UXHICEINSA-N 0 0 457.368 4.731 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCCC1 ZINC001360466598 1065378844 /nfs/dbraw/zinc/37/88/44/1065378844.db2.gz NJPYKDVRDOEACC-QGZVFWFLSA-N 0 0 473.668 4.614 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1c(F)ccc(Br)c1F ZINC001436580154 1065378821 /nfs/dbraw/zinc/37/88/21/1065378821.db2.gz PORVXGACJNMVGF-AWEZNQCLSA-N 0 0 459.331 4.781 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1 ZINC001360466837 1065379696 /nfs/dbraw/zinc/37/96/96/1065379696.db2.gz POZGMZCEYAAIBC-HNNXBMFYSA-N 0 0 452.609 4.728 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360467058 1065380370 /nfs/dbraw/zinc/38/03/70/1065380370.db2.gz ROCOVSZYPQYISX-OAGGEKHMSA-N 0 0 485.601 4.937 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(F)cc21)NC(=O)OC(C)(C)C ZINC001436581866 1065381076 /nfs/dbraw/zinc/38/10/76/1065381076.db2.gz OWFXNOGYKCZVPN-OAQYLSRUSA-N 0 0 453.514 4.638 20 0 JJADRN C[C@@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001360467607 1065381591 /nfs/dbraw/zinc/38/15/91/1065381591.db2.gz PQMYGXKMFCXKDF-ZDUSSCGKSA-N 0 0 482.551 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001436583256 1065381780 /nfs/dbraw/zinc/38/17/80/1065381780.db2.gz JTYWKXRSXQVYKR-IAGOWNOFSA-N 0 0 452.477 4.913 20 0 JJADRN COCC[C@@H](COC)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC001436583814 1065381839 /nfs/dbraw/zinc/38/18/39/1065381839.db2.gz MGOXDQOCYZJGAL-HNNXBMFYSA-N 0 0 456.395 4.543 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)C)CC2)cc1C ZINC001436583189 1065381894 /nfs/dbraw/zinc/38/18/94/1065381894.db2.gz KKDSGORDMWENIU-MHZLTWQESA-N 0 0 459.634 4.949 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1 ZINC001360467680 1065382463 /nfs/dbraw/zinc/38/24/63/1065382463.db2.gz XKPLEAQUWQBLDW-QUCCMNQESA-N 0 0 483.638 4.894 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001360467963 1065383089 /nfs/dbraw/zinc/38/30/89/1065383089.db2.gz VOERIZLRPPXVGK-RXFWQSSRSA-N 0 0 467.683 4.719 20 0 JJADRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1scc(Br)c1Br)C2 ZINC001436584475 1065383319 /nfs/dbraw/zinc/38/33/19/1065383319.db2.gz MQDSXEGJTUPTHI-UHFFFAOYSA-N 0 0 457.187 4.969 20 0 JJADRN O=C(CSCc1cscn1)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001436585669 1065383846 /nfs/dbraw/zinc/38/38/46/1065383846.db2.gz NESQLSKYHZGRHS-CYBMUJFWSA-N 0 0 456.406 4.684 20 0 JJADRN COc1ccc(CN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C(C)(C)C)cc1 ZINC001436586215 1065384650 /nfs/dbraw/zinc/38/46/50/1065384650.db2.gz WSRNKCODGCSJCN-BWKNWUBXSA-N 0 0 456.583 4.552 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cs1 ZINC001436586448 1065384825 /nfs/dbraw/zinc/38/48/25/1065384825.db2.gz WZQQCABYHYABOM-UHFFFAOYSA-N 0 0 451.474 4.513 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(Br)cc3)cc2)o1 ZINC001360469412 1065384856 /nfs/dbraw/zinc/38/48/56/1065384856.db2.gz HUKSNJFSMNTGHK-UHFFFAOYSA-N 0 0 452.312 4.862 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1cc(C(C)C)nn1-c1ccccc1)c1cccc(Br)c1 ZINC001436589041 1065385937 /nfs/dbraw/zinc/38/59/37/1065385937.db2.gz PSRWFNFLWPGZKV-OAQYLSRUSA-N 0 0 455.356 4.574 20 0 JJADRN Cn1cc(-c2ccnc(NC(=O)[C@@H](Oc3cccc(Cl)c3Cl)c3ccccc3)n2)cn1 ZINC001436589744 1065386707 /nfs/dbraw/zinc/38/67/07/1065386707.db2.gz UTNNGTFWNCQDCN-FQEVSTJZSA-N 0 0 454.317 4.943 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC001436589975 1065386798 /nfs/dbraw/zinc/38/67/98/1065386798.db2.gz UWOZFHIHVXOFRK-ZDUSSCGKSA-N 0 0 457.518 4.521 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC001436591320 1065387257 /nfs/dbraw/zinc/38/72/57/1065387257.db2.gz GBTPFTBBVUMDRM-NRFANRHFSA-N 0 0 451.544 4.514 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)CSc3nncn3-c3ccc(C)cc3)sc2c1 ZINC001436591410 1065387307 /nfs/dbraw/zinc/38/73/07/1065387307.db2.gz IUQSWFAYHDSDCZ-UHFFFAOYSA-N 0 0 452.609 4.762 20 0 JJADRN CC[C@@]1(CNC(=O)c2c(Br)cccc2Br)OCCc2ccccc21 ZINC001436592062 1065388119 /nfs/dbraw/zinc/38/81/19/1065388119.db2.gz NWSYFODSNVMWPD-IBGZPJMESA-N 0 0 453.174 4.820 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1ccc2ccccc2c1 ZINC001436592770 1065388204 /nfs/dbraw/zinc/38/82/04/1065388204.db2.gz VIMPSFHVXDYDAP-FQEVSTJZSA-N 0 0 453.951 4.834 20 0 JJADRN CCc1nc(C)c(COC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)o1 ZINC001436592739 1065388215 /nfs/dbraw/zinc/38/82/15/1065388215.db2.gz UKNRTSUGQUKZLW-UHFFFAOYSA-N 0 0 455.367 4.966 20 0 JJADRN CN(C)c1ccccc1CN(C)C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001436593788 1065388767 /nfs/dbraw/zinc/38/87/67/1065388767.db2.gz BKDBAESHIFUHES-NRFANRHFSA-N 0 0 451.611 4.969 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC001436593687 1065388792 /nfs/dbraw/zinc/38/87/92/1065388792.db2.gz APBMYICHHLTAJH-BPUDTRNYSA-N 0 0 457.014 4.999 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc2ccccc21 ZINC001436594979 1065388887 /nfs/dbraw/zinc/38/88/87/1065388887.db2.gz HWXOHFOBVMDWSR-OAQYLSRUSA-N 0 0 453.926 4.621 20 0 JJADRN Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)nn1-c1ccc(F)cc1F ZINC001436594131 1065388985 /nfs/dbraw/zinc/38/89/85/1065388985.db2.gz GYGWVLPAIIJJJD-UHFFFAOYSA-N 0 0 458.266 4.659 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N2CCOc3c(Cl)cc(Br)cc32)c(C)n1 ZINC001436597540 1065390714 /nfs/dbraw/zinc/39/07/14/1065390714.db2.gz KQDUAPZPPLNDQD-LLVKDONJSA-N 0 0 452.780 4.991 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1 ZINC001436596431 1065390869 /nfs/dbraw/zinc/39/08/69/1065390869.db2.gz GYPBGIDFXILQDL-UHFFFAOYSA-N 0 0 455.374 4.542 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)C1 ZINC001436599455 1065392126 /nfs/dbraw/zinc/39/21/26/1065392126.db2.gz ZVLWPQBNTZJOIT-CUNXSJBXSA-N 0 0 459.546 4.812 20 0 JJADRN COc1cc(/C=C\C(=O)O[C@@H](C)c2ccc(N(C)C)cn2)ccc1OCc1c(C)noc1C ZINC001436599085 1065392211 /nfs/dbraw/zinc/39/22/11/1065392211.db2.gz VLFGODUVXJIXQC-QCSXQHJISA-N 0 0 451.523 4.658 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)c1 ZINC001436600155 1065392892 /nfs/dbraw/zinc/39/28/92/1065392892.db2.gz UOZQNDCNTLKABK-UHFFFAOYSA-N 0 0 450.388 4.504 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)C1(c2ccc(F)cc2)CCOCC1 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COc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1Cl ZINC001436643191 1065414159 /nfs/dbraw/zinc/41/41/59/1065414159.db2.gz WZXHAYGKWOTZGD-HXUWFJFHSA-N 0 0 450.922 4.563 20 0 JJADRN Cc1c(C(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)nnn1-c1ccccc1Br ZINC001360497396 1065414667 /nfs/dbraw/zinc/41/46/67/1065414667.db2.gz YULXBMXLUYXTHL-QRWLVFNGSA-N 0 0 457.397 4.657 20 0 JJADRN Cc1cc(Cl)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1Br ZINC001436644730 1065414727 /nfs/dbraw/zinc/41/47/27/1065414727.db2.gz JHJZYAOQRKCTGD-UHFFFAOYSA-N 0 0 450.695 4.657 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccsc1 ZINC001360497957 1065415775 /nfs/dbraw/zinc/41/57/75/1065415775.db2.gz MPFZBYQFTQDQBU-MRXNPFEDSA-N 0 0 452.609 4.564 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Br)c(C)cc2Cl)c1 ZINC001436645783 1065415800 /nfs/dbraw/zinc/41/58/00/1065415800.db2.gz SLHRQYNYQYSPSJ-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001360498178 1065416539 /nfs/dbraw/zinc/41/65/39/1065416539.db2.gz PJWALJZRBKIHAW-MDOVXXIYSA-N 0 0 493.446 4.994 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)Cc2cccs2)CCO1 ZINC001360498081 1065416550 /nfs/dbraw/zinc/41/65/50/1065416550.db2.gz OHXJJDORBXSCTE-JXFKEZNVSA-N 0 0 492.487 4.848 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCCCc3ccc(Cl)cc3)CC2)c(C)c1 ZINC001360498519 1065417188 /nfs/dbraw/zinc/41/71/88/1065417188.db2.gz QLDAQGOXOQJRQH-NRFANRHFSA-N 0 0 457.014 4.808 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H](C)Cc1cccs1 ZINC001360499036 1065418191 /nfs/dbraw/zinc/41/81/91/1065418191.db2.gz YYQWELGMVKUNPF-ZWKOTPCHSA-N 0 0 468.602 4.867 20 0 JJADRN CCN(c1ccnc(NC(=O)COc2ccc(Cl)cc2Br)n1)C1CCCC1 ZINC001436651407 1065418278 /nfs/dbraw/zinc/41/82/78/1065418278.db2.gz OSNUZQNKZITXQC-UHFFFAOYSA-N 0 0 453.768 4.679 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2sc(-c3c(C)noc3C)nc2C)c1 ZINC001436652457 1065418302 /nfs/dbraw/zinc/41/83/02/1065418302.db2.gz ISJSZERGSFRHBZ-UHFFFAOYSA-N 0 0 454.957 4.527 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001360498800 1065418247 /nfs/dbraw/zinc/41/82/47/1065418247.db2.gz WGEOWYWCVNIZJE-QAPCUYQASA-N 0 0 497.061 4.691 20 0 JJADRN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)C[C@H](C)O1 ZINC000022301519 1065418792 /nfs/dbraw/zinc/41/87/92/1065418792.db2.gz NFPIBEIKFJLSLQ-CALCHBBNSA-N 0 0 465.579 4.649 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001360499063 1065419019 /nfs/dbraw/zinc/41/90/19/1065419019.db2.gz ZIZRKRRUUAGPNC-FPTDNZKUSA-N 0 0 478.449 4.894 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC001436655440 1065419973 /nfs/dbraw/zinc/41/99/73/1065419973.db2.gz UVEGTIHFDDUMTE-UHFFFAOYSA-N 0 0 455.540 4.746 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F ZINC001360499103 1065419839 /nfs/dbraw/zinc/41/98/39/1065419839.db2.gz AIPOOHICWVIKCB-AEFFLSMTSA-N 0 0 499.628 4.618 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360499160 1065419976 /nfs/dbraw/zinc/41/99/76/1065419976.db2.gz BECWDJHDRDWGDO-KXBFYZLASA-N 0 0 488.455 4.568 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001360499821 1065420638 /nfs/dbraw/zinc/42/06/38/1065420638.db2.gz IIHYUOHQHQIDNX-GOSISDBHSA-N 0 0 479.650 4.539 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001360499604 1065420746 /nfs/dbraw/zinc/42/07/46/1065420746.db2.gz GQFDESQPWUYIOB-QZTJIDSGSA-N 0 0 488.057 4.841 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)CCc1ccc(OC(F)F)cc1)COCC2 ZINC001436667813 1065420779 /nfs/dbraw/zinc/42/07/79/1065420779.db2.gz JDBHTMULWZQHFF-UHFFFAOYSA-N 0 0 453.507 4.949 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCc2cc(F)cc(Cl)c21 ZINC001436669267 1065420800 /nfs/dbraw/zinc/42/08/00/1065420800.db2.gz IVTKRGJHJWSNBX-UHFFFAOYSA-N 0 0 450.963 4.637 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360500207 1065421454 /nfs/dbraw/zinc/42/14/54/1065421454.db2.gz KZDKGFFLZBJIOM-RBUKOAKNSA-N 0 0 484.670 4.670 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)C1CCCC1 ZINC001436674942 1065421660 /nfs/dbraw/zinc/42/16/60/1065421660.db2.gz PTJOWTWQIDGTTD-YYWHXJBOSA-N 0 0 450.645 4.641 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)Cc2cccs2)CCO1 ZINC001360501014 1065424049 /nfs/dbraw/zinc/42/40/49/1065424049.db2.gz PVJULQTYSHQNEU-VGOFRKELSA-N 0 0 460.594 4.949 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360500845 1065424167 /nfs/dbraw/zinc/42/41/67/1065424167.db2.gz OXUCWSKDCAOCKP-MJGOQNOKSA-N 0 0 479.572 4.752 20 0 JJADRN CC[C@@](CNC(=O)CCc1cc(Cl)ccc1Br)(C(=O)OC)c1ccccc1 ZINC001436694896 1065424314 /nfs/dbraw/zinc/42/43/14/1065424314.db2.gz MHGXUXVROMMDRF-NRFANRHFSA-N 0 0 452.776 4.672 20 0 JJADRN COc1cc2ccc(C(=O)N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)cc2cc1OC ZINC001436711500 1065426811 /nfs/dbraw/zinc/42/68/11/1065426811.db2.gz AWBJJKCOFIJMLC-LEWJYISDSA-N 0 0 458.480 4.617 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360502081 1065427404 /nfs/dbraw/zinc/42/74/04/1065427404.db2.gz XOEQEYRFGKPEHJ-WMZOPIPTSA-N 0 0 465.545 4.828 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360502275 1065427419 /nfs/dbraw/zinc/42/74/19/1065427419.db2.gz ZHELXQFMMRUHST-IEBWSBKVSA-N 0 0 459.660 4.617 20 0 JJADRN CCCN(C(=O)c1ccc(CC)c(S(C)(=O)=O)c1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502209 1065427444 /nfs/dbraw/zinc/42/74/44/1065427444.db2.gz PBEVCGAIJDECSB-XMMPIXPASA-N 0 0 454.567 4.828 20 0 JJADRN Cc1nc(CCC(=O)N2CCC(c3ccncn3)CC2)oc1-c1ccc(Br)cc1 ZINC001436713473 1065427558 /nfs/dbraw/zinc/42/75/58/1065427558.db2.gz OSUFOVNOIADJHU-UHFFFAOYSA-N 0 0 455.356 4.541 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001545900691 1065427642 /nfs/dbraw/zinc/42/76/42/1065427642.db2.gz SNJABMRIQBHEKH-XZOQPEGZSA-N 0 0 484.689 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001545900684 1065427683 /nfs/dbraw/zinc/42/76/83/1065427683.db2.gz SLZCYXLIDWYGOT-HSZRJFAPSA-N 0 0 481.685 4.786 20 0 JJADRN COc1ccc(/C=C/C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1OC ZINC001360502463 1065428245 /nfs/dbraw/zinc/42/82/45/1065428245.db2.gz URHMQCPLVVOUFV-BMRADRMJSA-N 0 0 458.558 4.695 20 0 JJADRN Cc1cc2c(CC(=O)N3CCN(C(=O)[C@@H](C)Oc4ccc(C)cc4C)CC3)csc2s1 ZINC001360502480 1065428286 /nfs/dbraw/zinc/42/82/86/1065428286.db2.gz VGKHCRCYOVNQRM-GOSISDBHSA-N 0 0 456.633 4.569 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001436715093 1065428462 /nfs/dbraw/zinc/42/84/62/1065428462.db2.gz QGFRCKGMSJCFLV-ZNZDAUKMSA-N 0 0 461.311 4.907 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1Cl ZINC001436716183 1065428526 /nfs/dbraw/zinc/42/85/26/1065428526.db2.gz YBOGGSYYPGXXRV-PKOBYXMFSA-N 0 0 455.908 4.530 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436714819 1065428625 /nfs/dbraw/zinc/42/86/25/1065428625.db2.gz OMXBBFUAHVWYGA-VGSWGCGISA-N 0 0 453.558 4.673 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)COc1ccc(F)c(Cl)c1 ZINC001360502597 1065429031 /nfs/dbraw/zinc/42/90/31/1065429031.db2.gz YGZKSWHWFAZKJQ-UHFFFAOYSA-N 0 0 454.929 4.836 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CC(C)(C)C(F)(F)F ZINC001545900735 1065429561 /nfs/dbraw/zinc/42/95/61/1065429561.db2.gz TZCHMZUTFJFQLX-LJQANCHMSA-N 0 0 481.563 4.833 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 ZINC001360502896 1065429890 /nfs/dbraw/zinc/42/98/90/1065429890.db2.gz FPKAEJBHCKGILF-UYAOXDASSA-N 0 0 483.682 4.942 20 0 JJADRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001436727489 1065431279 /nfs/dbraw/zinc/43/12/79/1065431279.db2.gz PZJNKAOFZONBOS-LJQANCHMSA-N 0 0 452.979 4.842 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCO1 ZINC001360503262 1065431420 /nfs/dbraw/zinc/43/14/20/1065431420.db2.gz JHSNPBODUKTBHR-JXFKEZNVSA-N 0 0 488.430 4.768 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360503569 1065432516 /nfs/dbraw/zinc/43/25/16/1065432516.db2.gz LQGVACQOJPKHCE-PZJWPPBQSA-N 0 0 494.640 4.836 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC001436737493 1065433004 /nfs/dbraw/zinc/43/30/04/1065433004.db2.gz BGMPOEIVPOQZCO-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001436737552 1065433014 /nfs/dbraw/zinc/43/30/14/1065433014.db2.gz CUFILDSXQRJIBK-RDJZCZTQSA-N 0 0 453.938 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCSc2ccc(Br)cc2)C1(C)C ZINC001436737016 1065433065 /nfs/dbraw/zinc/43/30/65/1065433065.db2.gz OLUDQPMKVWFHST-MRXNPFEDSA-N 0 0 457.434 4.836 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360503647 1065433338 /nfs/dbraw/zinc/43/33/38/1065433338.db2.gz MYUPUZUMPRJWGV-KRWDZBQOSA-N 0 0 482.510 4.965 20 0 JJADRN CO[C@@](C)([C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001436737771 1065433794 /nfs/dbraw/zinc/43/37/94/1065433794.db2.gz AUGQVQOSEWZTNH-CMJOXMDJSA-N 0 0 459.384 4.564 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360504052 1065434108 /nfs/dbraw/zinc/43/41/08/1065434108.db2.gz QOJCDRGBALJSMD-QGZVFWFLSA-N 0 0 477.638 4.701 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001360504090 1065434252 /nfs/dbraw/zinc/43/42/52/1065434252.db2.gz VOWLDLYUKKLISU-UHFFFAOYSA-N 0 0 450.335 4.598 20 0 JJADRN COc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1OC(F)F ZINC001360503916 1065434271 /nfs/dbraw/zinc/43/42/71/1065434271.db2.gz SOBKMIGWNWPOTM-UHFFFAOYSA-N 0 0 456.268 4.830 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)n1 ZINC001545901103 1065434774 /nfs/dbraw/zinc/43/47/74/1065434774.db2.gz BKRQBURIMVDHHT-UHFFFAOYSA-N 0 0 455.342 4.718 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccoc1Br ZINC001360504128 1065434962 /nfs/dbraw/zinc/43/49/62/1065434962.db2.gz XFRSNPJIWRPQLM-UHFFFAOYSA-N 0 0 456.083 4.644 20 0 JJADRN CCC[C@@H]1CCCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC001436755464 1065436441 /nfs/dbraw/zinc/43/64/41/1065436441.db2.gz XTFUYXQLEMRPKK-ZRGWGRIASA-N 0 0 454.398 4.921 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3c3ccccc3)cc2)CC1 ZINC001436755700 1065436502 /nfs/dbraw/zinc/43/65/02/1065436502.db2.gz RMSFDFYVNRVKPB-DQEYMECFSA-N 0 0 454.636 4.906 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C ZINC001360504721 1065436609 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GLRNESIAVPTKPP-MAUKXSAKSA-N 0 0 458.550 4.588 20 0 JJADRN COc1ccc(-c2nc(CC(=O)NCC3(c4c(F)cccc4F)CCC3)cs2)cc1OC ZINC001436771633 1065438314 /nfs/dbraw/zinc/43/83/14/1065438314.db2.gz NEJMYDZQQZAIIB-UHFFFAOYSA-N 0 0 458.530 4.886 20 0 JJADRN CC(C)c1cc(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)c2ccccc2n1 ZINC001436770863 1065438334 /nfs/dbraw/zinc/43/83/34/1065438334.db2.gz HTNLUZBKQWGKMM-UHFFFAOYSA-N 0 0 455.356 4.605 20 0 JJADRN C[C@@H](CCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360505459 1065440832 /nfs/dbraw/zinc/44/08/32/1065440832.db2.gz OPFMKZUDYDTXHA-PZJWPPBQSA-N 0 0 464.614 4.581 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001436794588 1065441705 /nfs/dbraw/zinc/44/17/05/1065441705.db2.gz ZMKIDSNAXUMSGZ-QGZVFWFLSA-N 0 0 459.930 4.899 20 0 JJADRN O=C(NCc1cc(Cl)cc(Br)c1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001436787582 1065441803 /nfs/dbraw/zinc/44/18/03/1065441803.db2.gz CFDHRAQGFISVBV-MRXNPFEDSA-N 0 0 457.755 4.925 20 0 JJADRN 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CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccccc2OCc2ccncc2)c2ccccc21 ZINC001437284499 1065530072 /nfs/dbraw/zinc/53/00/72/1065530072.db2.gz BNWCISHEDPRLLY-DNQXCXABSA-N 0 0 458.558 4.890 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccon1)c1nccs1 ZINC001360541982 1065530236 /nfs/dbraw/zinc/53/02/36/1065530236.db2.gz VXRTXYZVSWCKAE-LLVKDONJSA-N 0 0 465.402 4.654 20 0 JJADRN COc1ccc(C2(C(=O)Nc3cc(F)cc(N4C[C@@H](C)O[C@@H](C)C4)c3)CCCC2)cc1OC ZINC001437284809 1065530489 /nfs/dbraw/zinc/53/04/89/1065530489.db2.gz QBLFESBLPJEBKR-HDICACEKSA-N 0 0 456.558 4.907 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCOCC1 ZINC001360542128 1065530990 /nfs/dbraw/zinc/53/09/90/1065530990.db2.gz XSTFQIHPAALWTF-IRXDYDNUSA-N 0 0 466.457 4.845 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)c1cccs1)N1CCOCC1 ZINC001360542254 1065531580 /nfs/dbraw/zinc/53/15/80/1065531580.db2.gz ZBIBKFJXOOCDSD-HUUCEWRRSA-N 0 0 496.500 4.749 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C)n2)cc1 ZINC001437288228 1065532158 /nfs/dbraw/zinc/53/21/58/1065532158.db2.gz OOMAILKQQGBYFS-YLJYHZDGSA-N 0 0 456.587 4.697 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(C)c1Br ZINC001437289449 1065532181 /nfs/dbraw/zinc/53/21/81/1065532181.db2.gz SWIARJMOBMPKCK-DOTOQJQBSA-N 0 0 453.421 4.821 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@H]3C)n2)cc1 ZINC001437288225 1065532216 /nfs/dbraw/zinc/53/22/16/1065532216.db2.gz OOMAILKQQGBYFS-XLIONFOSSA-N 0 0 456.587 4.697 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1nccs1 ZINC001360544000 1065533309 /nfs/dbraw/zinc/53/33/09/1065533309.db2.gz AAYVFNUIYBXLMD-ZWKOTPCHSA-N 0 0 468.627 4.651 20 0 JJADRN O=C(c1ccc(C(F)(F)F)nc1)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437294119 1065533161 /nfs/dbraw/zinc/53/31/61/1065533161.db2.gz VXAUEDGRFACUOJ-UHFFFAOYSA-N 0 0 455.152 4.921 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N(c3ccc(C)c(Br)c3)C(C)C)CC2=O)cc1 ZINC001437299373 1065533871 /nfs/dbraw/zinc/53/38/71/1065533871.db2.gz GOAYIZFPBKSQBC-SFHVURJKSA-N 0 0 459.384 4.556 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544693 1065534334 /nfs/dbraw/zinc/53/43/34/1065534334.db2.gz OFIUFVUHLSPJHK-MJGOQNOKSA-N 0 0 497.562 4.748 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC1(c2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544948 1065534879 /nfs/dbraw/zinc/53/48/79/1065534879.db2.gz SYMFPHWRZOAFSS-HXUWFJFHSA-N 0 0 476.625 4.764 20 0 JJADRN CN(C(=O)c1cnc(-c2ccccc2)nc1)c1nccc(-c2sccc2Br)n1 ZINC001437307058 1065534874 /nfs/dbraw/zinc/53/48/74/1065534874.db2.gz YFQQGPLBWHYLDT-UHFFFAOYSA-N 0 0 452.337 4.701 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccco1)N(C)C(=O)OC(C)(C)C ZINC001360544956 1065535579 /nfs/dbraw/zinc/53/55/79/1065535579.db2.gz TWOUDEIJBWFVNH-SFHVURJKSA-N 0 0 476.581 4.978 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(F)cc1 ZINC001360545575 1065536479 /nfs/dbraw/zinc/53/64/79/1065536479.db2.gz GPKRWOHWDSRDJB-QFBILLFUSA-N 0 0 463.479 4.831 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)NC3(c4ccccc4Br)CCC3)CC2=O)c1 ZINC001437318188 1065536828 /nfs/dbraw/zinc/53/68/28/1065536828.db2.gz GXPJBUKMEBELMD-OAHLLOKOSA-N 0 0 459.409 4.720 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)C[C@H](C)O1 ZINC001437319585 1065536955 /nfs/dbraw/zinc/53/69/55/1065536955.db2.gz LHFJHPYBSABTOW-ROUUACIJSA-N 0 0 457.412 4.868 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360545769 1065537098 /nfs/dbraw/zinc/53/70/98/1065537098.db2.gz JXXZUEZWIGMSND-LEWJYISDSA-N 0 0 492.624 4.643 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360546268 1065537547 /nfs/dbraw/zinc/53/75/47/1065537547.db2.gz PYNLICGXJZQOCE-ZWKOTPCHSA-N 0 0 470.643 4.942 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CC[C@H](C)c1ccccc1 ZINC001545906321 1065537732 /nfs/dbraw/zinc/53/77/32/1065537732.db2.gz WMDALAOSVQERET-PMOQBDJRSA-N 0 0 453.631 4.538 20 0 JJADRN CC(C)(C)n1cc(C(=O)NC2(c3ccccc3Br)CCC2)c(Br)n1 ZINC001437321763 1065537819 /nfs/dbraw/zinc/53/78/19/1065537819.db2.gz TZDQFDALCSFPEY-UHFFFAOYSA-N 0 0 455.194 4.972 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546689 1065538062 /nfs/dbraw/zinc/53/80/62/1065538062.db2.gz UAZGWMQAOGECDH-PZJWPPBQSA-N 0 0 464.614 4.533 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCCCC[C@@H]21)N(C)C(=O)OC(C)(C)C ZINC001360546667 1065538221 /nfs/dbraw/zinc/53/82/21/1065538221.db2.gz SVPGQFBDRCKLQX-AABGKKOBSA-N 0 0 456.635 4.698 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360547085 1065538784 /nfs/dbraw/zinc/53/87/84/1065538784.db2.gz YEDJUEKRQFMEIC-NHCUHLMSSA-N 0 0 476.625 4.885 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1OC ZINC001437340004 1065538933 /nfs/dbraw/zinc/53/89/33/1065538933.db2.gz UBXJEPCGQNGTQC-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)Nc1ccccc1OCC1CC1 ZINC001360547519 1065539273 /nfs/dbraw/zinc/53/92/73/1065539273.db2.gz KBDGZJALKDWDMG-UHFFFAOYSA-N 0 0 451.304 4.878 20 0 JJADRN CCn1c(SCC(=O)NCc2cccc(Oc3ccccc3F)c2)nnc1-c1ccco1 ZINC001437344206 1065539281 /nfs/dbraw/zinc/53/92/81/1065539281.db2.gz IEMCMPNERIQGRN-UHFFFAOYSA-N 0 0 452.511 4.898 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Sc1ccccc1 ZINC001360548402 1065539773 /nfs/dbraw/zinc/53/97/73/1065539773.db2.gz AEOORCPIPWSYHH-INIZCTEOSA-N 0 0 487.555 4.910 20 0 JJADRN Cn1nccc1[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001437347938 1065539857 /nfs/dbraw/zinc/53/98/57/1065539857.db2.gz IJOUPHXHALWMJD-JOCHJYFZSA-N 0 0 457.615 4.593 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCC3(c4ccccc4F)CCC3)cc2)cc1 ZINC001437350017 1065540378 /nfs/dbraw/zinc/54/03/78/1065540378.db2.gz SRWFQPSLGICUJR-UHFFFAOYSA-N 0 0 451.563 4.960 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2c(c1)CCCCC2 ZINC001437348727 1065540609 /nfs/dbraw/zinc/54/06/09/1065540609.db2.gz RBHTYRBFZUCDED-UHFFFAOYSA-N 0 0 456.608 4.781 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccccc1 ZINC001360549350 1065540719 /nfs/dbraw/zinc/54/07/19/1065540719.db2.gz QQDHHXCHUDOUET-INIZCTEOSA-N 0 0 468.355 4.800 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC001360549291 1065540887 /nfs/dbraw/zinc/54/08/87/1065540887.db2.gz PLAYZHIOPFRAMF-OAHLLOKOSA-N 0 0 473.478 4.672 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccsc1)N(C)C(=O)OC(C)(C)C ZINC001360549500 1065541391 /nfs/dbraw/zinc/54/13/91/1065541391.db2.gz TYUSEUIPXMTEGR-XLIONFOSSA-N 0 0 468.627 4.999 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC001437360229 1065541442 /nfs/dbraw/zinc/54/14/42/1065541442.db2.gz CTLYXBZGCQBWCD-UHFFFAOYSA-N 0 0 458.910 4.776 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)Cc1ccc(C(F)(F)F)cc1 ZINC001437353826 1065541460 /nfs/dbraw/zinc/54/14/60/1065541460.db2.gz PTTBXNDCROZSMT-QGZVFWFLSA-N 0 0 454.920 4.649 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccccc1 ZINC001437360465 1065541732 /nfs/dbraw/zinc/54/17/32/1065541732.db2.gz FKGGZWJAGAAFNP-RUZDIDTESA-N 0 0 451.954 4.826 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCCCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360549819 1065541804 /nfs/dbraw/zinc/54/18/04/1065541804.db2.gz ZPVBTBIOVKUVMX-HXUWFJFHSA-N 0 0 466.630 4.988 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001360550752 1065542229 /nfs/dbraw/zinc/54/22/29/1065542229.db2.gz ABAHTTWYHYRJEA-HXUWFJFHSA-N 0 0 452.929 4.981 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1 ZINC001360550800 1065542401 /nfs/dbraw/zinc/54/24/01/1065542401.db2.gz ARMMWBCERDYXFS-NRFANRHFSA-N 0 0 452.555 4.700 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)C(=O)OC(C)(C)C ZINC001437365511 1065542871 /nfs/dbraw/zinc/54/28/71/1065542871.db2.gz NLRMVXLAMTVEEG-KRWDZBQOSA-N 0 0 454.292 4.676 20 0 JJADRN Cc1ccc(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1N1CCCS1(=O)=O ZINC001360551792 1065543626 /nfs/dbraw/zinc/54/36/26/1065543626.db2.gz ZGLYFSVBUREJDU-XBXARRHUSA-N 0 0 458.889 4.859 20 0 JJADRN Cc1oc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC001360552221 1065543676 /nfs/dbraw/zinc/54/36/76/1065543676.db2.gz MSZCWPDIXKCUDD-KRWDZBQOSA-N 0 0 454.548 4.765 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC001437370496 1065543718 /nfs/dbraw/zinc/54/37/18/1065543718.db2.gz ZVJMRTUDCJEPNC-AREMUKBSSA-N 0 0 455.570 4.581 20 0 JJADRN C[C@H]1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@H]1CCNC(=O)OC(C)(C)C ZINC001437374342 1065543977 /nfs/dbraw/zinc/54/39/77/1065543977.db2.gz GXVPOHDUOVOLTJ-ZFWWWQNUSA-N 0 0 455.386 4.797 20 0 JJADRN C[C@@H](Cn1c(-c2cnccn2)nnc1N(CCC(F)(F)F)CC1CC1)Oc1cccc(F)c1 ZINC001360553184 1065544023 /nfs/dbraw/zinc/54/40/23/1065544023.db2.gz JFSKKKDALMAMTD-HNNXBMFYSA-N 0 0 464.467 4.511 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@@H](C)[C@H]3CCNC(=O)OC(C)(C)C)s2)cc1 ZINC001437376218 1065544727 /nfs/dbraw/zinc/54/47/27/1065544727.db2.gz JVWMYDBPORSKPH-VQIMIIECSA-N 0 0 459.612 4.974 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC001437376890 1065544889 /nfs/dbraw/zinc/54/48/89/1065544889.db2.gz CEONHJKRVBZUMT-QFIPXVFZSA-N 0 0 453.558 4.508 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360554964 1065545803 /nfs/dbraw/zinc/54/58/03/1065545803.db2.gz QLKNATQRDVUHAX-MJGOQNOKSA-N 0 0 473.593 4.598 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360554963 1065545825 /nfs/dbraw/zinc/54/58/25/1065545825.db2.gz QLKNATQRDVUHAX-IEBWSBKVSA-N 0 0 473.593 4.598 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360554965 1065545896 /nfs/dbraw/zinc/54/58/96/1065545896.db2.gz QLKNATQRDVUHAX-PKOBYXMFSA-N 0 0 473.593 4.598 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CC2(CCCC2)O1 ZINC001437387955 1065546542 /nfs/dbraw/zinc/54/65/42/1065546542.db2.gz WWKCASRFOYAFGW-IBGZPJMESA-N 0 0 455.599 4.730 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001437386653 1065546846 /nfs/dbraw/zinc/54/68/46/1065546846.db2.gz HWDVCZINEWGNMD-UHFFFAOYSA-N 0 0 450.392 4.633 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c(Cl)c1 ZINC001437400630 1065547421 /nfs/dbraw/zinc/54/74/21/1065547421.db2.gz XGOVPVACBWFHNX-UHFFFAOYSA-N 0 0 452.294 4.699 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001360558481 1065547454 /nfs/dbraw/zinc/54/74/54/1065547454.db2.gz QYVNIUMQMGLSRZ-MOPGFXCFSA-N 0 0 471.621 4.529 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1F)N(C)C(=O)OC(C)(C)C ZINC001360559181 1065548575 /nfs/dbraw/zinc/54/85/75/1065548575.db2.gz GGKUFNQWGYSJBG-FXAWDEMLSA-N 0 0 461.582 4.551 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC2(CC2(F)F)CC1)c1ccc(Br)cc1 ZINC001437420636 1065549549 /nfs/dbraw/zinc/54/95/49/1065549549.db2.gz OAKAESHLRZHEQH-OAHLLOKOSA-N 0 0 459.331 4.663 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)c12 ZINC001437420735 1065549605 /nfs/dbraw/zinc/54/96/05/1065549605.db2.gz CITAJWDUWHNUCZ-LMKMVOKYSA-N 0 0 456.587 4.505 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)Sc1ccccc1 ZINC001360559907 1065549634 /nfs/dbraw/zinc/54/96/34/1065549634.db2.gz OLARWHGHTZFWOR-HBMCJLEFSA-N 0 0 457.688 4.662 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360559849 1065549837 /nfs/dbraw/zinc/54/98/37/1065549837.db2.gz NXCULYLQMTWGAX-IRXDYDNUSA-N 0 0 469.527 4.615 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cn1 ZINC001437424907 1065550616 /nfs/dbraw/zinc/55/06/16/1065550616.db2.gz VBCSYEUROOTNGQ-FNZWTVRRSA-N 0 0 450.583 4.617 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3nccc3C(F)(F)F)c1)C2 ZINC001437422380 1065550787 /nfs/dbraw/zinc/55/07/87/1065550787.db2.gz LLHJCTOVYLMLTK-SBUREZEXSA-N 0 0 478.515 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC001437423323 1065550861 /nfs/dbraw/zinc/55/08/61/1065550861.db2.gz PUWYBCIACDDTMU-FGZHOGPDSA-N 0 0 454.592 4.674 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360560407 1065551052 /nfs/dbraw/zinc/55/10/52/1065551052.db2.gz WKULAUNMWZIOJM-WMZHIEFXSA-N 0 0 497.640 4.774 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2c(Cl)cccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360560637 1065551561 /nfs/dbraw/zinc/55/15/61/1065551561.db2.gz ZWNHNIXVMQHSHK-DYESRHJHSA-N 0 0 490.048 4.991 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(F)(F)F ZINC001437437574 1065551956 /nfs/dbraw/zinc/55/19/56/1065551956.db2.gz GFEYEJNFQHYEFD-XUDLPTGHSA-N 0 0 457.395 4.829 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)c1nccs1 ZINC001360562519 1065552702 /nfs/dbraw/zinc/55/27/02/1065552702.db2.gz DECUKWOJVYPKEY-MOPGFXCFSA-N 0 0 497.669 4.684 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCc4ccc(Cl)c(Cl)c4C3)cc2)c1C ZINC001437444211 1065552985 /nfs/dbraw/zinc/55/29/85/1065552985.db2.gz FVQNNUPLZCXDDE-UHFFFAOYSA-N 0 0 458.345 4.863 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC001437449543 1065553578 /nfs/dbraw/zinc/55/35/78/1065553578.db2.gz ZYFAWYSRJISEPD-HXUWFJFHSA-N 0 0 454.636 4.880 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1)c1nccs1 ZINC001360563765 1065553724 /nfs/dbraw/zinc/55/37/24/1065553724.db2.gz METYMRYGFZUPQA-KZNAEPCWSA-N 0 0 492.715 4.595 20 0 JJADRN O=C(Oc1cccc(OC2CC2)c1)c1ccc(I)c(Br)c1 ZINC001437455417 1065554059 /nfs/dbraw/zinc/55/40/59/1065554059.db2.gz ZHEUMQUYMWQHAJ-UHFFFAOYSA-N 0 0 459.077 4.814 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC001437454477 1065554282 /nfs/dbraw/zinc/55/42/82/1065554282.db2.gz QAMAGGQKAPVGSQ-QGZVFWFLSA-N 0 0 453.564 4.818 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001360563974 1065554498 /nfs/dbraw/zinc/55/44/98/1065554498.db2.gz NFBBMXUGOQMDSB-RTBURBONSA-N 0 0 460.594 4.563 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccc(F)cc1 ZINC001360564190 1065554972 /nfs/dbraw/zinc/55/49/72/1065554972.db2.gz MPKOSNJEFIQFIU-UONOGXRCSA-N 0 0 485.507 4.500 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437458057 1065555359 /nfs/dbraw/zinc/55/53/59/1065555359.db2.gz CPFWEVCVHRTRQL-QGZVFWFLSA-N 0 0 456.789 4.846 20 0 JJADRN C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1)Oc1ccc(F)cc1 ZINC001360564872 1065555582 /nfs/dbraw/zinc/55/55/82/1065555582.db2.gz SIOUUGHWGUGTJL-SFHVURJKSA-N 0 0 487.620 4.988 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1)Oc1ccc(F)cc1 ZINC001360564971 1065555632 /nfs/dbraw/zinc/55/56/32/1065555632.db2.gz UCYBKPOYKVCXBU-RTBURBONSA-N 0 0 473.593 4.599 20 0 JJADRN C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC1)N(C)c1ccccc1 ZINC001360565184 1065555751 /nfs/dbraw/zinc/55/57/51/1065555751.db2.gz VKZJUDVLICIJGY-FQEVSTJZSA-N 0 0 482.673 4.764 20 0 JJADRN CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 ZINC001437462207 1065555962 /nfs/dbraw/zinc/55/59/62/1065555962.db2.gz MZMLYRCGBWZVFF-AREMUKBSSA-N 0 0 454.998 4.987 20 0 JJADRN C[C@@H](Sc1nc(CC(=O)N2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)cs1)C(N)=O ZINC001437463398 1065555974 /nfs/dbraw/zinc/55/59/74/1065555974.db2.gz RZTGHOYABADXEW-GYCJOSAFSA-N 0 0 459.681 4.573 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CSCc2ccc(Br)cc21 ZINC001437463377 1065556066 /nfs/dbraw/zinc/55/60/66/1065556066.db2.gz RQODETOUCQDPCQ-INIZCTEOSA-N 0 0 454.773 4.521 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360565213 1065556282 /nfs/dbraw/zinc/55/62/82/1065556282.db2.gz VUPMMMCZKRYXLJ-FUPPJEDESA-N 0 0 499.725 4.730 20 0 JJADRN CCOc1cc(C(=O)N[C@H](c2ccccc2F)C(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001437469078 1065557044 /nfs/dbraw/zinc/55/70/44/1065557044.db2.gz BZNLFTFTXAEYQN-VWLOTQADSA-N 0 0 456.558 4.743 20 0 JJADRN O=C(C[C@@H]1CCCCO1)N[C@H](c1ccc(F)cc1)c1ccccc1I ZINC001360567312 1065557891 /nfs/dbraw/zinc/55/78/91/1065557891.db2.gz DPNWUMRSUHGOFY-OXJNMPFZSA-N 0 0 453.295 4.595 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)cc1OC ZINC001360566919 1065557985 /nfs/dbraw/zinc/55/79/85/1065557985.db2.gz JTSPOLUDNFQQOY-UHFFFAOYSA-N 0 0 456.720 4.939 20 0 JJADRN O=C(C[C@H]1CCCCO1)N[C@@H](c1ccc(F)cc1)c1ccccc1I ZINC001360567314 1065558682 /nfs/dbraw/zinc/55/86/82/1065558682.db2.gz DPNWUMRSUHGOFY-UZLBHIALSA-N 0 0 453.295 4.595 20 0 JJADRN COc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC001437474042 1065558770 /nfs/dbraw/zinc/55/87/70/1065558770.db2.gz VITIVRCCICKVMX-JOCHJYFZSA-N 0 0 453.457 4.848 20 0 JJADRN CN(CC(=O)Nc1ccc(CCCc2ccccc2)cc1)C(=O)c1ccc(Br)o1 ZINC001360567653 1065559073 /nfs/dbraw/zinc/55/90/73/1065559073.db2.gz OZCDYBSEALDXPU-UHFFFAOYSA-N 0 0 455.352 4.928 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1csc(N2CCCCC2)n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360568066 1065559422 /nfs/dbraw/zinc/55/94/22/1065559422.db2.gz AGNZRKDZCYUAPH-CQSZACIVSA-N 0 0 450.630 4.910 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccc(F)cc1 ZINC001360568051 1065559579 /nfs/dbraw/zinc/55/95/79/1065559579.db2.gz AESJZRQOHASOCV-LJQANCHMSA-N 0 0 455.622 4.791 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)NCc1ccnc(OCC(F)(F)F)c1 ZINC001360568106 1065559608 /nfs/dbraw/zinc/55/96/08/1065559608.db2.gz ANHVSMGCRAEOCY-UHFFFAOYSA-N 0 0 459.287 4.859 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccc(F)cc1 ZINC001360568050 1065559662 /nfs/dbraw/zinc/55/96/62/1065559662.db2.gz AESJZRQOHASOCV-IBGZPJMESA-N 0 0 455.622 4.791 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@@H](C)Cc1cnc2ccccc2n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360568253 1065560266 /nfs/dbraw/zinc/56/02/66/1065560266.db2.gz BEWGAXTZDUGQPK-HOTGVXAUSA-N 0 0 454.596 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)C(F)(F)c2ccc(Br)cc2)C2CCC2)C1 ZINC001437480877 1065560488 /nfs/dbraw/zinc/56/04/88/1065560488.db2.gz LMSHCNCJDLUBHG-UHFFFAOYSA-N 0 0 459.331 4.541 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001545907177 1065561343 /nfs/dbraw/zinc/56/13/43/1065561343.db2.gz BOGAPOLOWCKDJN-XLIONFOSSA-N 0 0 490.048 4.684 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(I)cc1F ZINC001437488498 1065561905 /nfs/dbraw/zinc/56/19/05/1065561905.db2.gz NGOHQDQRBYHRQR-UHFFFAOYSA-N 0 0 458.268 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCCOc1ccc(C)cc1 ZINC001545907267 1065561965 /nfs/dbraw/zinc/56/19/65/1065561965.db2.gz DXSPCCMYPKDHBY-OFNKIYASSA-N 0 0 453.631 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001545907247 1065561991 /nfs/dbraw/zinc/56/19/91/1065561991.db2.gz DNCMIRHQXKDXGB-HNNXBMFYSA-N 0 0 492.455 4.826 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001437495127 1065562467 /nfs/dbraw/zinc/56/24/67/1065562467.db2.gz HNZYBZCBWYXGRB-QFIPXVFZSA-N 0 0 451.533 4.796 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCCOc1ccc(C)cc1 ZINC001545907268 1065562483 /nfs/dbraw/zinc/56/24/83/1065562483.db2.gz DXSPCCMYPKDHBY-REWPJTCUSA-N 0 0 453.631 4.743 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360569679 1065562515 /nfs/dbraw/zinc/56/25/15/1065562515.db2.gz IZNFLSQTKBDXPF-ROUUACIJSA-N 0 0 476.691 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCSCc1ccccc1 ZINC001545907357 1065563122 /nfs/dbraw/zinc/56/31/22/1065563122.db2.gz GXJGSBLGRYRWOJ-IRLDBZIGSA-N 0 0 455.672 4.899 20 0 JJADRN CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3)CC2)n1 ZINC001360570056 1065563126 /nfs/dbraw/zinc/56/31/26/1065563126.db2.gz NRQOUCNUZGZYRO-NRFANRHFSA-N 0 0 477.657 4.574 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360569760 1065563356 /nfs/dbraw/zinc/56/33/56/1065563356.db2.gz LPMVDXNTLCXQKH-DLBZAZTESA-N 0 0 462.664 4.620 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360570601 1065563878 /nfs/dbraw/zinc/56/38/78/1065563878.db2.gz NXGSRGSVXJRTCT-MRXNPFEDSA-N 0 0 483.554 4.704 20 0 JJADRN C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1)c1ccccc1 ZINC001360570924 1065564986 /nfs/dbraw/zinc/56/49/86/1065564986.db2.gz POBQGGLZQSRDIL-RBBKRZOGSA-N 0 0 469.630 4.771 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001360571607 1065565629 /nfs/dbraw/zinc/56/56/29/1065565629.db2.gz YVDHWIJBNMXJTM-OAHLLOKOSA-N 0 0 459.557 4.821 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc(NC(=O)[C@H]4C[C@@H]4C)cc3)CCCCC2)cc1OC ZINC001360571883 1065565666 /nfs/dbraw/zinc/56/56/66/1065565666.db2.gz JAUADKRUBOOXKO-AVRDEDQJSA-N 0 0 450.579 4.930 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC001360571766 1065565708 /nfs/dbraw/zinc/56/57/08/1065565708.db2.gz DNUHESIKRZWTEM-UHFFFAOYSA-N 0 0 457.636 4.895 20 0 JJADRN COc1ccc(C2(CNC(=O)COc3cccc4c3OC(C)(C)C4)CCCCC2)cc1OC ZINC001360572026 1065565774 /nfs/dbraw/zinc/56/57/74/1065565774.db2.gz PBWAXPMSOUAPED-UHFFFAOYSA-N 0 0 453.579 4.814 20 0 JJADRN O=C(N1CCC[C@@H]([C@@H]2CCCCN2C(=O)C(F)(F)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC001437520398 1065566124 /nfs/dbraw/zinc/56/61/24/1065566124.db2.gz JUIIOHINUGBMOY-CJNGLKHVSA-N 0 0 452.851 4.614 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccc(C)c(NC(=O)c3ccccc3)c1)CCC2 ZINC001437513380 1065566139 /nfs/dbraw/zinc/56/61/39/1065566139.db2.gz ZNHGTKURDLVIED-QHCPKHFHSA-N 0 0 456.542 4.884 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360572976 1065566732 /nfs/dbraw/zinc/56/67/32/1065566732.db2.gz CBOZYSJUONFOSD-IRXDYDNUSA-N 0 0 463.479 4.649 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1C(F)(F)F ZINC001437525454 1065567123 /nfs/dbraw/zinc/56/71/23/1065567123.db2.gz QNAYWTURLKWAFR-WBVHZDCISA-N 0 0 450.423 4.809 20 0 JJADRN O=C(c1nc(-c2ccccc2)cs1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437528051 1065567575 /nfs/dbraw/zinc/56/75/75/1065567575.db2.gz WVIANVJWSRFOSD-WMZOPIPTSA-N 0 0 451.514 4.606 20 0 JJADRN O=C(c1cc(Cl)c2ccccc2n1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437529408 1065568298 /nfs/dbraw/zinc/56/82/98/1065568298.db2.gz YXHWSJLDCIVRAS-AUUYWEPGSA-N 0 0 453.892 4.684 20 0 JJADRN C/C(=C\C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001437532875 1065568784 /nfs/dbraw/zinc/56/87/84/1065568784.db2.gz SFQOLYKBZXXZPN-ACCUITESSA-N 0 0 452.477 4.814 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)Nc3nc4ccccn4c3C(=O)OC(C)(C)C)c2)cn1 ZINC001437531636 1065568813 /nfs/dbraw/zinc/56/88/13/1065568813.db2.gz CZELOCBHCMZZIG-UHFFFAOYSA-N 0 0 458.518 4.824 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360574361 1065568982 /nfs/dbraw/zinc/56/89/82/1065568982.db2.gz FFUVUYGGTJBGMI-OAQYLSRUSA-N 0 0 490.652 4.903 20 0 JJADRN CC(C)(C)OC(=O)c1c(NC(=O)[C@H]2CCc3cc(Br)ccc32)nc2ccccn21 ZINC001437538535 1065569051 /nfs/dbraw/zinc/56/90/51/1065569051.db2.gz SXAIRHGKJCGZSH-INIZCTEOSA-N 0 0 456.340 4.721 20 0 JJADRN COc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001437533920 1065569247 /nfs/dbraw/zinc/56/92/47/1065569247.db2.gz XRUXCCORXXWECT-UHFFFAOYSA-N 0 0 453.461 4.571 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360574569 1065569454 /nfs/dbraw/zinc/56/94/54/1065569454.db2.gz JNAXKZTWEKZSFK-KNQAVFIVSA-N 0 0 494.615 4.652 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360574717 1065570080 /nfs/dbraw/zinc/57/00/80/1065570080.db2.gz LZQRLQRCHRLIJY-XXBNENTESA-N 0 0 494.615 4.700 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)CO2 ZINC001437546787 1065570245 /nfs/dbraw/zinc/57/02/45/1065570245.db2.gz CPXBGQAHZOSVRW-AKIFATBCSA-N 0 0 468.569 4.828 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360575012 1065570736 /nfs/dbraw/zinc/57/07/36/1065570736.db2.gz SBGBNLJKGKLWSE-OAQYLSRUSA-N 0 0 490.652 4.809 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)c1nccs1 ZINC001360574919 1065570773 /nfs/dbraw/zinc/57/07/73/1065570773.db2.gz QCHBRUHLNGRZAS-ZDUSSCGKSA-N 0 0 479.557 4.636 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001437548021 1065570898 /nfs/dbraw/zinc/57/08/98/1065570898.db2.gz UQYHYPPIHCSQQA-OAQYLSRUSA-N 0 0 451.876 4.617 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360575376 1065571130 /nfs/dbraw/zinc/57/11/30/1065571130.db2.gz VAGSUMCNHVOYEV-FYYLOGMGSA-N 0 0 490.652 4.809 20 0 JJADRN C[C@@H]1CC[C@H](OC(=O)Cc2ccc(I)c(Br)c2)[C@@H](C)C1 ZINC001360577009 1065571884 /nfs/dbraw/zinc/57/18/84/1065571884.db2.gz QQSUITNVYLNUKT-ZETOZRRWSA-N 0 0 451.142 4.964 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)nn1[C@H](C)C1CC1 ZINC001437551811 1065572170 /nfs/dbraw/zinc/57/21/70/1065572170.db2.gz UOJXJKXAXYWTGF-ODOSVJCGSA-N 0 0 470.589 4.825 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1-c1cnn(C)c1 ZINC001437551213 1065572184 /nfs/dbraw/zinc/57/21/84/1065572184.db2.gz PCJSDXOZHBVSQF-ILBGXUMGSA-N 0 0 474.605 4.919 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360577308 1065572449 /nfs/dbraw/zinc/57/24/49/1065572449.db2.gz ATGRJCFKNGEROL-IEBWSBKVSA-N 0 0 457.644 4.515 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001360577334 1065572460 /nfs/dbraw/zinc/57/24/60/1065572460.db2.gz BBFOUSHPXCQIKL-SFTDATJTSA-N 0 0 495.693 4.775 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360577865 1065573035 /nfs/dbraw/zinc/57/30/35/1065573035.db2.gz FFPUWKRNSCELAM-NYHFZMIOSA-N 0 0 454.512 4.703 20 0 JJADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001360577870 1065573109 /nfs/dbraw/zinc/57/31/09/1065573109.db2.gz FIAOTRUEFBJONS-IFMALSPDSA-N 0 0 485.648 4.606 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360578318 1065573406 /nfs/dbraw/zinc/57/34/06/1065573406.db2.gz HLXUHWLPPPGIBK-UXHICEINSA-N 0 0 469.699 4.789 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC001437555244 1065574248 /nfs/dbraw/zinc/57/42/48/1065574248.db2.gz GZZZYIGZVCYXCK-AYVPJYCDSA-N 0 0 474.642 4.746 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(C(C)=O)c(C)c2)cc1 ZINC001437559034 1065575828 /nfs/dbraw/zinc/57/58/28/1065575828.db2.gz PQTCYFCALPYBHB-ZEQRLZLVSA-N 0 0 466.578 4.729 20 0 JJADRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001437558917 1065575841 /nfs/dbraw/zinc/57/58/41/1065575841.db2.gz WCZCAGIYOBJLIJ-UHFFFAOYSA-N 0 0 451.380 4.940 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360579366 1065575847 /nfs/dbraw/zinc/57/58/47/1065575847.db2.gz SDDAEQZVVFYJOE-XQBPLPMBSA-N 0 0 453.631 4.868 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)c1nccs1 ZINC001360579856 1065576868 /nfs/dbraw/zinc/57/68/68/1065576868.db2.gz XNEMTYRXMKOYDZ-PMACEKPBSA-N 0 0 480.682 4.927 20 0 JJADRN C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(C)(C)C)Oc1ccccc1F ZINC001360579830 1065576908 /nfs/dbraw/zinc/57/69/08/1065576908.db2.gz VUWRKGXQLDKGBB-GOSISDBHSA-N 0 0 450.562 4.606 20 0 JJADRN CCn1cc(Cl)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001437562431 1065577341 /nfs/dbraw/zinc/57/73/41/1065577341.db2.gz XZQOZGOUDOFTJX-PMACEKPBSA-N 0 0 461.990 4.693 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579907 1065577363 /nfs/dbraw/zinc/57/73/63/1065577363.db2.gz YHLYJCMKUOBSMB-UYAOXDASSA-N 0 0 455.672 4.543 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1Cc1ccccc1Br ZINC001545907725 1065577416 /nfs/dbraw/zinc/57/74/16/1065577416.db2.gz QHDWARJZPZTKQQ-GOSISDBHSA-N 0 0 494.503 4.729 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)c1ccccc1Br ZINC001437561522 1065577439 /nfs/dbraw/zinc/57/74/39/1065577439.db2.gz DUQHPCIQJJDFGF-UVBSCNOISA-N 0 0 454.723 4.766 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1Br ZINC001437566974 1065578470 /nfs/dbraw/zinc/57/84/70/1065578470.db2.gz OSXYJOBBGYNXDD-QFIPXVFZSA-N 0 0 452.304 4.922 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)c2nccs2)CC1 ZINC001360581579 1065579099 /nfs/dbraw/zinc/57/90/99/1065579099.db2.gz FJTPYSZPSUBQPF-NRFANRHFSA-N 0 0 494.709 4.797 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)n2)cc1 ZINC001437573742 1065579060 /nfs/dbraw/zinc/57/90/60/1065579060.db2.gz ZAZRJXKHQRRVNM-UHFFFAOYSA-N 0 0 457.387 4.748 20 0 JJADRN C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccc(Cl)cc1 ZINC001360582350 1065579644 /nfs/dbraw/zinc/57/96/44/1065579644.db2.gz MZJMNFXPJIEZEF-MOPGFXCFSA-N 0 0 474.049 4.926 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1Cc2ccccc2NC(=O)[C@@H]1C ZINC001437580397 1065580559 /nfs/dbraw/zinc/58/05/59/1065580559.db2.gz BYQQZKSJZHGFNB-HNNXBMFYSA-N 0 0 457.361 4.708 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001437579475 1065580590 /nfs/dbraw/zinc/58/05/90/1065580590.db2.gz UUPLUMQZTKUMPR-UHFFFAOYSA-N 0 0 459.362 4.891 20 0 JJADRN O=C(OCc1cnc(-c2ccccc2)nc1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001437579422 1065580605 /nfs/dbraw/zinc/58/06/05/1065580605.db2.gz SYOFGHGEFKWLPS-UHFFFAOYSA-N 0 0 454.523 4.503 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CC=CCC1)N(C)c1ccccc1 ZINC001360583595 1065581238 /nfs/dbraw/zinc/58/12/38/1065581238.db2.gz GUJSZJCLNJQPPF-LEWJYISDSA-N 0 0 478.666 4.587 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)OC1CCCC1)Sc1ccccc1 ZINC001360583600 1065581432 /nfs/dbraw/zinc/58/14/32/1065581432.db2.gz GULMVNKBZNJVAC-QGZVFWFLSA-N 0 0 471.652 4.761 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001360583609 1065582009 /nfs/dbraw/zinc/58/20/09/1065582009.db2.gz GZIGXJOFKFJSQA-FGTMMUONSA-N 0 0 455.603 4.695 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001545907909 1065582144 /nfs/dbraw/zinc/58/21/44/1065582144.db2.gz UCIHDRYZUUFWQQ-UNMCSNQZSA-N 0 0 470.662 4.643 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001545907921 1065582202 /nfs/dbraw/zinc/58/22/02/1065582202.db2.gz ULUMADKHBCJJEF-QGZVFWFLSA-N 0 0 454.594 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001545907913 1065582356 /nfs/dbraw/zinc/58/23/56/1065582356.db2.gz UDIHCVQOKHYQGS-OTWHNJEPSA-N 0 0 453.631 4.756 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001437587275 1065582372 /nfs/dbraw/zinc/58/23/72/1065582372.db2.gz UHBFVOCMFKSZFS-YFNKSVMNSA-N 0 0 454.586 4.989 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCc1ccc(SC)cc1 ZINC001545908011 1065582865 /nfs/dbraw/zinc/58/28/65/1065582865.db2.gz WFVIVFFZSNQYJO-SIKLNZKXSA-N 0 0 455.672 4.930 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCc1ccc(F)c(F)c1F ZINC001545907926 1065582936 /nfs/dbraw/zinc/58/29/36/1065582936.db2.gz UQEIZVIKZNBVPH-BEFAXECRSA-N 0 0 463.548 4.625 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001437600823 1065583314 /nfs/dbraw/zinc/58/33/14/1065583314.db2.gz AUHQOJSNRWAXBX-QGZVFWFLSA-N 0 0 456.167 4.677 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Sc2ccccc2)C1 ZINC001360584307 1065583546 /nfs/dbraw/zinc/58/35/46/1065583546.db2.gz VEBVAACLVCMMKQ-RBUKOAKNSA-N 0 0 469.680 4.933 20 0 JJADRN O=C(Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1)c1ccnc(NC(=O)C2CC2)c1 ZINC001437603778 1065584198 /nfs/dbraw/zinc/58/41/98/1065584198.db2.gz QSVUHUOCKFJARO-UHFFFAOYSA-N 0 0 457.412 4.720 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc(Cl)cc(Cl)c2)c1 ZINC001437604037 1065584233 /nfs/dbraw/zinc/58/42/33/1065584233.db2.gz DHJIASQJMCUGLB-IBGZPJMESA-N 0 0 453.366 4.754 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n1 ZINC001437627848 1065585828 /nfs/dbraw/zinc/58/58/28/1065585828.db2.gz KOHLDAVYQBVPRH-UHFFFAOYSA-N 0 0 453.742 4.942 20 0 JJADRN Cn1cc([C@H]2[C@@H](C(=O)NCCc3ccc(C4CCCCC4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001437623140 1065585911 /nfs/dbraw/zinc/58/59/11/1065585911.db2.gz PPGZROSJQVYAFZ-ZCYQVOJMSA-N 0 0 450.627 4.515 20 0 JJADRN C[C@H](Cn1c(N2CCC(CO)(Cc3ccccc3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360585997 1065586022 /nfs/dbraw/zinc/58/60/22/1065586022.db2.gz ANBUYHUJRLNHPH-OAQYLSRUSA-N 0 0 499.700 4.653 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1)Oc1ccccc1 ZINC001360586002 1065586058 /nfs/dbraw/zinc/58/60/58/1065586058.db2.gz APENOUPVZZMZDD-NRSPTQNISA-N 0 0 481.597 4.746 20 0 JJADRN C[C@H](Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)c1nccs1 ZINC001360586278 1065586139 /nfs/dbraw/zinc/58/61/39/1065586139.db2.gz CKWLRVDCXKBPOX-HUUCEWRRSA-N 0 0 467.565 4.893 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001437631620 1065586437 /nfs/dbraw/zinc/58/64/37/1065586437.db2.gz GPVIFEFXPQXHPL-AWEZNQCLSA-N 0 0 453.461 4.997 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001437631622 1065586555 /nfs/dbraw/zinc/58/65/55/1065586555.db2.gz GPVIFEFXPQXHPL-CQSZACIVSA-N 0 0 453.461 4.997 20 0 JJADRN Cc1cc(Br)oc1C(=O)NCc1cc(Cl)ccc1I ZINC001437628463 1065586646 /nfs/dbraw/zinc/58/66/46/1065586646.db2.gz QHUBESXWWMFVIN-UHFFFAOYSA-N 0 0 454.489 4.539 20 0 JJADRN C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F)Oc1cccc(F)c1 ZINC001360586387 1065586798 /nfs/dbraw/zinc/58/67/98/1065586798.db2.gz DKUQPDXIYRSAEL-XYJFISCASA-N 0 0 497.562 4.747 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)no1 ZINC001437635279 1065587104 /nfs/dbraw/zinc/58/71/04/1065587104.db2.gz VFBFOMVXBOATCW-UHFFFAOYSA-N 0 0 454.552 4.947 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1c1cccc(C)c1 ZINC001437635107 1065587217 /nfs/dbraw/zinc/58/72/17/1065587217.db2.gz STVZAWGALMHYSB-JTHBVZDNSA-N 0 0 451.567 4.568 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC001360586534 1065587421 /nfs/dbraw/zinc/58/74/21/1065587421.db2.gz FQISZTHKABFXKU-AGLNEOCTSA-N 0 0 487.620 4.605 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)CCc1ccc(C)cc1C)CN(C(=O)OC(C)(C)C)C2 ZINC001437661093 1065588342 /nfs/dbraw/zinc/58/83/42/1065588342.db2.gz FGIWZVDNOOEGNB-UHFFFAOYSA-N 0 0 458.580 4.974 20 0 JJADRN C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)Oc1ccccc1 ZINC001360587425 1065588417 /nfs/dbraw/zinc/58/84/17/1065588417.db2.gz MZOFGQSHYMCPPM-HGJUEJDCSA-N 0 0 469.630 4.609 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC001437663947 1065589067 /nfs/dbraw/zinc/58/90/67/1065589067.db2.gz LEZNNMBTIPBQJY-BKAVPCLVSA-N 0 0 454.379 4.750 20 0 JJADRN C[C@H](Cn1c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C)N(C)c1ccccc1 ZINC001360587438 1065589077 /nfs/dbraw/zinc/58/90/77/1065589077.db2.gz NBESVRZXRFJFEX-HXUWFJFHSA-N 0 0 484.689 4.936 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1c(Br)ncc2ccccc21)NC(C)=O ZINC001437668325 1065589688 /nfs/dbraw/zinc/58/96/88/1065589688.db2.gz OJAJBNZCHCGKEZ-SFHVURJKSA-N 0 0 456.340 4.602 20 0 JJADRN 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C[C@@H](Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360588264 1065591552 /nfs/dbraw/zinc/59/15/52/1065591552.db2.gz ZFAKHRXGKSNKOD-FQEVSTJZSA-N 0 0 485.648 4.801 20 0 JJADRN COc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1C ZINC001437696162 1065593141 /nfs/dbraw/zinc/59/31/41/1065593141.db2.gz UTHXISZHABSQQB-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001360588956 1065593330 /nfs/dbraw/zinc/59/33/30/1065593330.db2.gz MESHUUYAUXSZMT-QHCPKHFHSA-N 0 0 457.640 4.732 20 0 JJADRN Cc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1OCCC(C)C ZINC001360589077 1065593773 /nfs/dbraw/zinc/59/37/73/1065593773.db2.gz RKOCYNHMYKTWMK-UHFFFAOYSA-N 0 0 458.356 4.531 20 0 JJADRN COc1cc(C2(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3C)CCCC2)ccc1C ZINC001360589104 1065594008 /nfs/dbraw/zinc/59/40/08/1065594008.db2.gz SBIDBKGYDQRNOA-UHFFFAOYSA-N 0 0 458.624 4.839 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1cc(Nc3nc(C)cc(C)n3)ccc1Cl)O[C@@H](C)C2 ZINC001545908920 1065594465 /nfs/dbraw/zinc/59/44/65/1065594465.db2.gz QXKCGPKASVHDQH-HNNXBMFYSA-N 0 0 452.942 4.752 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Oc1cnn(-c2ccccc2)c1 ZINC001437713621 1065595046 /nfs/dbraw/zinc/59/50/46/1065595046.db2.gz GSDAZEPKKYHTLB-UHFFFAOYSA-N 0 0 451.324 4.716 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)nc1 ZINC001437713566 1065595177 /nfs/dbraw/zinc/59/51/77/1065595177.db2.gz GBUBTOVENSYODV-IGKIAQTJSA-N 0 0 455.602 4.964 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1nccs1)Oc1ccccc1 ZINC001360590383 1065595647 /nfs/dbraw/zinc/59/56/47/1065595647.db2.gz IMZHRMPTIUQFMF-SYYKKAFVSA-N 0 0 469.655 4.800 20 0 JJADRN CCCOc1cccnc1C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001437718960 1065595605 /nfs/dbraw/zinc/59/56/05/1065595605.db2.gz VDKZPUHKIMECPS-UHFFFAOYSA-N 0 0 458.341 4.885 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)COC(=O)N3)c1)c1ccc(Br)o1 ZINC001437718179 1065595723 /nfs/dbraw/zinc/59/57/23/1065595723.db2.gz YDCXEYXCLXKVRC-UHFFFAOYSA-N 0 0 456.252 4.609 20 0 JJADRN Cc1c(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001437731482 1065596263 /nfs/dbraw/zinc/59/62/63/1065596263.db2.gz JQSNJSRFHYVVDM-HXUWFJFHSA-N 0 0 451.395 4.691 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccccc1 ZINC001360590660 1065596285 /nfs/dbraw/zinc/59/62/85/1065596285.db2.gz NTAKXDOKLHZXGV-FUDKSRODSA-N 0 0 499.656 4.680 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)c1nccs1 ZINC001360590799 1065596736 /nfs/dbraw/zinc/59/67/36/1065596736.db2.gz QRNWPWKMEHKJJR-KSZLIROESA-N 0 0 490.674 4.614 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360590934 1065597571 /nfs/dbraw/zinc/59/75/71/1065597571.db2.gz SWMSAICAPQQWOK-KBXCAEBGSA-N 0 0 456.896 4.949 20 0 JJADRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc(F)cc1I ZINC001437741893 1065598164 /nfs/dbraw/zinc/59/81/64/1065598164.db2.gz GJNRKOYZKHRFIA-KRWDZBQOSA-N 0 0 457.258 4.562 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC001437744438 1065598852 /nfs/dbraw/zinc/59/88/52/1065598852.db2.gz JLMRZMNLOISJMJ-QFIPXVFZSA-N 0 0 456.970 4.762 20 0 JJADRN O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001437753764 1065600725 /nfs/dbraw/zinc/60/07/25/1065600725.db2.gz SDZIYSPMJNDPFX-CYBMUJFWSA-N 0 0 458.830 4.858 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)nc2)c1 ZINC001437752130 1065600809 /nfs/dbraw/zinc/60/08/09/1065600809.db2.gz OGHBZOYAEDEIIM-HXUWFJFHSA-N 0 0 458.562 4.942 20 0 JJADRN CCCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC001437751592 1065600821 /nfs/dbraw/zinc/60/08/21/1065600821.db2.gz VGINKSSTERHHRQ-UHFFFAOYSA-N 0 0 454.527 4.849 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)nc2)c1 ZINC001437755138 1065601304 /nfs/dbraw/zinc/60/13/04/1065601304.db2.gz YXTOCBKCSKWRCX-CPJSRVTESA-N 0 0 452.555 4.810 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001437754552 1065601503 /nfs/dbraw/zinc/60/15/03/1065601503.db2.gz QCYWCFBWXLFNCI-GBESFXJTSA-N 0 0 459.974 4.680 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCc2sc(Br)cc2C1 ZINC001437755662 1065602248 /nfs/dbraw/zinc/60/22/48/1065602248.db2.gz WJQCYCFKXBCMDX-UHFFFAOYSA-N 0 0 450.333 4.607 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N(C(C)C)[C@H](c3ccccc3)C(C)C)n2)cc1 ZINC001437768730 1065603029 /nfs/dbraw/zinc/60/30/29/1065603029.db2.gz KCNRARCNUALWEU-VWLOTQADSA-N 0 0 450.583 4.849 20 0 JJADRN O=C(COc1cccc(Br)c1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001437774904 1065604736 /nfs/dbraw/zinc/60/47/36/1065604736.db2.gz CGZKDHAGBLBXNX-UHFFFAOYSA-N 0 0 453.174 4.730 20 0 JJADRN O=C(Nc1cc(OC(F)(F)F)c(F)cc1Br)c1ccc(C2OCCO2)cc1 ZINC001437774700 1065604749 /nfs/dbraw/zinc/60/47/49/1065604749.db2.gz JMQLVFRZGSQZCQ-UHFFFAOYSA-N 0 0 450.182 4.785 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C 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/nfs/dbraw/zinc/60/78/47/1065607847.db2.gz QKYMOAWFXCQZIF-JTQLQIEISA-N 0 0 452.301 4.996 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1C ZINC001437796040 1065609372 /nfs/dbraw/zinc/60/93/72/1065609372.db2.gz YFLJSKMJDJYDHF-WIYYLYMNSA-N 0 0 470.614 4.735 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 ZINC001437797591 1065609976 /nfs/dbraw/zinc/60/99/76/1065609976.db2.gz QCCWUJJOXVTACX-TZMCWYRMSA-N 0 0 451.415 4.509 20 0 JJADRN C[C@@]1(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1(F)F ZINC001437797670 1065610037 /nfs/dbraw/zinc/61/00/37/1065610037.db2.gz JSTCIHUNXLPSDF-HXUWFJFHSA-N 0 0 453.272 4.959 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC001437798706 1065610954 /nfs/dbraw/zinc/61/09/54/1065610954.db2.gz SWAFWSSBINFMCL-MRXNPFEDSA-N 0 0 453.466 4.606 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](CC)c1ccccc1 ZINC001545909624 1065611801 /nfs/dbraw/zinc/61/18/01/1065611801.db2.gz NCBOZQYJUFJAPQ-HXUWFJFHSA-N 0 0 495.697 4.564 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2ccc(CC(C)C)s2)CCc2cc(Br)ccc2C1 ZINC001437810814 1065612674 /nfs/dbraw/zinc/61/26/74/1065612674.db2.gz BHSNHTDUABNMEE-NRFANRHFSA-N 0 0 450.398 4.540 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC001437809017 1065612709 /nfs/dbraw/zinc/61/27/09/1065612709.db2.gz BKCKHMRPCHQHDH-GHMZBOCLSA-N 0 0 458.324 4.872 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC001437809026 1065612761 /nfs/dbraw/zinc/61/27/61/1065612761.db2.gz BKCKHMRPCHQHDH-WDEREUQCSA-N 0 0 458.324 4.872 20 0 JJADRN Cc1cc(Br)c(CNC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)s1 ZINC001437814084 1065613380 /nfs/dbraw/zinc/61/33/80/1065613380.db2.gz FCVFGGQEUHLJRP-UHFFFAOYSA-N 0 0 457.393 4.987 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001360597498 1065613805 /nfs/dbraw/zinc/61/38/05/1065613805.db2.gz LZFHCKFABCJBPW-LJQANCHMSA-N 0 0 452.628 4.974 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)c1Br ZINC001437816034 1065614344 /nfs/dbraw/zinc/61/43/44/1065614344.db2.gz ZBDDURBLKGDXLE-QMMMGPOBSA-N 0 0 451.109 4.758 20 0 JJADRN COC(=O)[C@@]1(NC(=O)CCc2ccc(C(C)C)cc2)CCc2cc(Br)ccc2C1 ZINC001437814429 1065614393 /nfs/dbraw/zinc/61/43/93/1065614393.db2.gz JKQSTBZXZLGNSP-XMMPIXPASA-N 0 0 458.396 4.722 20 0 JJADRN CC/C(=C\C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1)c1ccc(C)cc1 ZINC001437819735 1065614870 /nfs/dbraw/zinc/61/48/70/1065614870.db2.gz ROYVLGQVIMDJMS-CQLKWFSRSA-N 0 0 456.380 4.768 20 0 JJADRN O=C(CCn1cc(Br)cn1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001437820349 1065615997 /nfs/dbraw/zinc/61/59/97/1065615997.db2.gz ZUIATSULOSXPNG-IBGZPJMESA-N 0 0 450.789 4.925 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC001437838217 1065616659 /nfs/dbraw/zinc/61/66/59/1065616659.db2.gz JTWBQUVPNRMJIO-CDNPAEQRSA-N 0 0 465.594 4.743 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 ZINC001437837610 1065616672 /nfs/dbraw/zinc/61/66/72/1065616672.db2.gz INCVHEGWTRRHFN-FGZHOGPDSA-N 0 0 455.986 4.796 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001437842734 1065618491 /nfs/dbraw/zinc/61/84/91/1065618491.db2.gz YHNHXEGAIGVITE-RNODOKPDSA-N 0 0 465.768 4.889 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001437843028 1065619204 /nfs/dbraw/zinc/61/92/04/1065619204.db2.gz ZFYSRNMBCRGNIL-RAWXMELESA-N 0 0 460.958 4.892 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC001437851841 1065620081 /nfs/dbraw/zinc/62/00/81/1065620081.db2.gz ZHVZLBSUHPSXDA-QGZVFWFLSA-N 0 0 451.445 4.787 20 0 JJADRN COc1ccc(-c2nc(CC(=O)OCc3cccc(F)c3OC(F)F)cs2)cc1OC ZINC001437857128 1065620965 /nfs/dbraw/zinc/62/09/65/1065620965.db2.gz DFWXKIIUSYDNQJ-UHFFFAOYSA-N 0 0 453.438 4.854 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)cc1 ZINC001437853677 1065620976 /nfs/dbraw/zinc/62/09/76/1065620976.db2.gz QWAYYDGXQJASLR-NRFANRHFSA-N 0 0 450.551 4.846 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c(OCC(F)F)c1 ZINC001437853293 1065620984 /nfs/dbraw/zinc/62/09/84/1065620984.db2.gz VQAMXDMATVFMMZ-UHFFFAOYSA-N 0 0 450.438 4.561 20 0 JJADRN O=C(OCc1cccc(F)c1OC(F)F)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001437860642 1065621506 /nfs/dbraw/zinc/62/15/06/1065621506.db2.gz WFEAEZAQODAVMC-FQEVSTJZSA-N 0 0 457.404 4.726 20 0 JJADRN COc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c(OC)c1OC ZINC001360600204 1065622521 /nfs/dbraw/zinc/62/25/21/1065622521.db2.gz GJDCJRICHAYEQS-UHFFFAOYSA-N 0 0 455.473 4.767 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC[C@H]1F ZINC001437871458 1065622738 /nfs/dbraw/zinc/62/27/38/1065622738.db2.gz RNVSUOOEJARHOV-VQIMIIECSA-N 0 0 452.448 4.848 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)CC[C@H]1F ZINC001437873257 1065623151 /nfs/dbraw/zinc/62/31/51/1065623151.db2.gz RNOUAXSUVKQLKW-IFMALSPDSA-N 0 0 464.541 4.617 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2nc(C3(C)CC3)ns2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001437876134 1065624225 /nfs/dbraw/zinc/62/42/25/1065624225.db2.gz TVYRYTSWHKMBES-BLLLJJGKSA-N 0 0 450.967 4.709 20 0 JJADRN Cn1cc(-c2cccc(NC(=O)[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)c2)nn1 ZINC001437885046 1065625153 /nfs/dbraw/zinc/62/51/53/1065625153.db2.gz JODQQGZJTDNCQP-HXUWFJFHSA-N 0 0 453.587 4.628 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC001437891025 1065625875 /nfs/dbraw/zinc/62/58/75/1065625875.db2.gz CTSOTCAWLCDNRI-WZONZLPQSA-N 0 0 452.938 4.852 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001437893711 1065626724 /nfs/dbraw/zinc/62/67/24/1065626724.db2.gz LNLYXTXWOZRRFO-UHFFFAOYSA-N 0 0 458.543 4.903 20 0 JJADRN Cn1nc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001437903998 1065629236 /nfs/dbraw/zinc/62/92/36/1065629236.db2.gz LIINVWCVINULDT-PGRDOPGGSA-N 0 0 456.468 4.558 20 0 JJADRN Cc1cc(C)cc(CNC(=O)c2cc(Br)cc(I)c2C)c1 ZINC001437928680 1065631874 /nfs/dbraw/zinc/63/18/74/1065631874.db2.gz PCLWKRDJWDYCPF-UHFFFAOYSA-N 0 0 458.137 4.909 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCc4ccc(F)c(Br)c4C3)o2)cc1 ZINC001437930694 1065632003 /nfs/dbraw/zinc/63/20/03/1065632003.db2.gz SRZIWOBIQGNQOW-UHFFFAOYSA-N 0 0 459.315 4.769 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)N1CCc2ccc(F)c(Br)c2C1 ZINC001437931929 1065632521 /nfs/dbraw/zinc/63/25/21/1065632521.db2.gz XOSNHENFETWJBU-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cc(Br)sc1Br)C2 ZINC001437935593 1065632537 /nfs/dbraw/zinc/63/25/37/1065632537.db2.gz STYRFRHBUPSWRK-UHFFFAOYSA-N 0 0 459.207 4.559 20 0 JJADRN O=C(N1CCn2ncc(Br)c2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001437935629 1065632610 /nfs/dbraw/zinc/63/26/10/1065632610.db2.gz TXDHJHMRIGWNNR-UHFFFAOYSA-N 0 0 456.306 4.909 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360607401 1065633704 /nfs/dbraw/zinc/63/37/04/1065633704.db2.gz JIXWVFCGJMLHSZ-OALUTQOASA-N 0 0 494.640 4.658 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)c12 ZINC001437946543 1065634313 /nfs/dbraw/zinc/63/43/13/1065634313.db2.gz WAMLIZZTUQPNKX-UHFFFAOYSA-N 0 0 456.612 4.835 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@H](CC)Cc3ccc(Br)cc3)CC2=O)cc1 ZINC001437947005 1065634385 /nfs/dbraw/zinc/63/43/85/1065634385.db2.gz JJSLZTNREZTMPB-PZJWPPBQSA-N 0 0 457.412 4.892 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360608508 1065635297 /nfs/dbraw/zinc/63/52/97/1065635297.db2.gz PFIRRVKKCOYOLG-GOSISDBHSA-N 0 0 485.629 4.707 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001360608226 1065635308 /nfs/dbraw/zinc/63/53/08/1065635308.db2.gz NSEAGADLFAAHMG-QUCCMNQESA-N 0 0 499.656 4.750 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1nc(C(C)C)ncc1Br ZINC001437954012 1065635436 /nfs/dbraw/zinc/63/54/36/1065635436.db2.gz XQJJKYHXLQVNPP-AWEZNQCLSA-N 0 0 455.194 4.876 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3Cl)C2)cc1 ZINC001360608106 1065635355 /nfs/dbraw/zinc/63/53/55/1065635355.db2.gz OFPGMCLUOGAAMB-HZPDHXFCSA-N 0 0 455.407 4.580 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)c1 ZINC001437961938 1065636380 /nfs/dbraw/zinc/63/63/80/1065636380.db2.gz KJTRAOFCVAFGMQ-YWZLYKJASA-N 0 0 450.398 4.756 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)c2cccc(Br)c2I)CC1 ZINC001360611780 1065636251 /nfs/dbraw/zinc/63/62/51/1065636251.db2.gz SDAGYQUVSZTVPE-LBPRGKRZSA-N 0 0 450.158 4.952 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 ZINC001360608612 1065636333 /nfs/dbraw/zinc/63/63/33/1065636333.db2.gz RAUIQBBQGAKHOT-HOTGVXAUSA-N 0 0 466.051 4.701 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](Sc4ccc(Br)cc4)C3)cn2)n1 ZINC001437964262 1065636937 /nfs/dbraw/zinc/63/69/37/1065636937.db2.gz UQGHSIXSKRCAJO-LJQANCHMSA-N 0 0 457.397 4.653 20 0 JJADRN CC(C)c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360608715 1065637016 /nfs/dbraw/zinc/63/70/16/1065637016.db2.gz SCFFAWYTYXFBKQ-HNNXBMFYSA-N 0 0 478.435 4.845 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC1CC(F)C1 ZINC001360608810 1065637070 /nfs/dbraw/zinc/63/70/70/1065637070.db2.gz UFAGNFMDVYNKIF-ZJRDLVKKSA-N 0 0 482.604 4.838 20 0 JJADRN O=C(NCc1ccc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001437965686 1065637840 /nfs/dbraw/zinc/63/78/40/1065637840.db2.gz FVACEUNKSHIABS-IBGZPJMESA-N 0 0 456.514 4.938 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H]1C ZINC001360609094 1065638795 /nfs/dbraw/zinc/63/87/95/1065638795.db2.gz ZEMBTGHAVNVBDQ-ZWKOTPCHSA-N 0 0 450.587 4.643 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C ZINC001360609051 1065638874 /nfs/dbraw/zinc/63/88/74/1065638874.db2.gz YAQJUDBFGZSPFH-CABCVRRESA-N 0 0 496.425 4.996 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC(=O)N2C)cc1 ZINC001437966351 1065638947 /nfs/dbraw/zinc/63/89/47/1065638947.db2.gz NSFQAOSDLFIXOW-UGKGYDQZSA-N 0 0 453.539 4.509 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001360609328 1065639558 /nfs/dbraw/zinc/63/95/58/1065639558.db2.gz CRNZIFHKKVAUST-LQWHRVPQSA-N 0 0 498.653 4.529 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCC2(C1)CCCCC2 ZINC001360609304 1065639569 /nfs/dbraw/zinc/63/95/69/1065639569.db2.gz CINDAXRXIBURNA-LJQANCHMSA-N 0 0 456.635 4.605 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001437968409 1065639525 /nfs/dbraw/zinc/63/95/25/1065639525.db2.gz LDQDVQPHCVTSRG-UHFFFAOYSA-N 0 0 454.221 4.932 20 0 JJADRN CC1(C)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1(F)F ZINC001437971005 1065640699 /nfs/dbraw/zinc/64/06/99/1065640699.db2.gz YQZTWBSXQUMBEV-INIZCTEOSA-N 0 0 453.272 4.815 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(F)c(Br)c3F)c(=O)oc2c1 ZINC001437971652 1065640708 /nfs/dbraw/zinc/64/07/08/1065640708.db2.gz UDKBEWKGPVUVJP-UHFFFAOYSA-N 0 0 451.267 4.932 20 0 JJADRN COc1cc(CCNC(=O)c2cccc3ccc(=O)[nH]c32)cc(OC)c1OCc1ccccc1 ZINC001437974068 1065640715 /nfs/dbraw/zinc/64/07/15/1065640715.db2.gz AMEBWPGMRMKVEZ-UHFFFAOYSA-N 0 0 458.514 4.509 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC001437986296 1065641200 /nfs/dbraw/zinc/64/12/00/1065641200.db2.gz KCJGFJLUNNLABS-AWEZNQCLSA-N 0 0 453.269 4.987 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001437989567 1065642384 /nfs/dbraw/zinc/64/23/84/1065642384.db2.gz QATPSXWEMFIBCL-UZLBHIALSA-N 0 0 452.334 4.538 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001360609743 1065642370 /nfs/dbraw/zinc/64/23/70/1065642370.db2.gz BPFMJAUMLMOQIC-LEWJYISDSA-N 0 0 495.672 4.550 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001360609889 1065643065 /nfs/dbraw/zinc/64/30/65/1065643065.db2.gz HRLOCXFIPSFOBA-ZVDOUQERSA-N 0 0 489.686 4.954 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001360609887 1065643122 /nfs/dbraw/zinc/64/31/22/1065643122.db2.gz HRLOCXFIPSFOBA-SFHLNBCPSA-N 0 0 489.686 4.954 20 0 JJADRN CCCCCCn1nc(C(=O)Oc2cc(Br)ccc2OC)c2ccccc2c1=O ZINC001437999446 1065643224 /nfs/dbraw/zinc/64/32/24/1065643224.db2.gz GPTVSXDYPOAIFS-UHFFFAOYSA-N 0 0 459.340 4.967 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N(C)CCOc1ccccc1 ZINC001360610407 1065644779 /nfs/dbraw/zinc/64/47/79/1065644779.db2.gz LTSSVAIXJVBUNN-IBGZPJMESA-N 0 0 457.619 4.612 20 0 JJADRN COC(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)cn1 ZINC001438005199 1065644997 /nfs/dbraw/zinc/64/49/97/1065644997.db2.gz LJJDTHREIHKBHY-UHFFFAOYSA-N 0 0 455.308 4.913 20 0 JJADRN Cc1cccc2c1CCC[C@H]2NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001438004684 1065645025 /nfs/dbraw/zinc/64/50/25/1065645025.db2.gz XQHHJYHKQZOACC-JOCHJYFZSA-N 0 0 455.396 4.804 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3c(C)cccc32)c1Cl ZINC001438004378 1065645053 /nfs/dbraw/zinc/64/50/53/1065645053.db2.gz UXZLNKOATSMHNP-KRWDZBQOSA-N 0 0 456.391 4.529 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc2ccccc2o1 ZINC001360610605 1065645421 /nfs/dbraw/zinc/64/54/21/1065645421.db2.gz IGAGZUYVRCBXHY-AZUAARDMSA-N 0 0 483.613 4.716 20 0 JJADRN C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001438007165 1065645969 /nfs/dbraw/zinc/64/59/69/1065645969.db2.gz HGEQFZISNTWZDO-LDBYXDLTSA-N 0 0 450.982 4.727 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001360610833 1065646245 /nfs/dbraw/zinc/64/62/45/1065646245.db2.gz KBMMOJXPRLAQQS-RTWAWAEBSA-N 0 0 471.646 4.543 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001360610777 1065646341 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CCn1c(SCC(=O)NCC(F)(F)c2ccccc2C)nnc1-c1ccc(Cl)cc1 ZINC001438017372 1065650829 /nfs/dbraw/zinc/65/08/29/1065650829.db2.gz ITEOEZXONGBVAS-UHFFFAOYSA-N 0 0 450.942 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC001438017918 1065650852 /nfs/dbraw/zinc/65/08/52/1065650852.db2.gz ZLUJDNKOVBCBKK-BYVBVCRGSA-N 0 0 455.368 4.564 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001438019525 1065651619 /nfs/dbraw/zinc/65/16/19/1065651619.db2.gz ASRJKIAVGYSGLR-JLDZCNIISA-N 0 0 451.405 4.534 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545912257 1065651629 /nfs/dbraw/zinc/65/16/29/1065651629.db2.gz LDROXBSFAAVMCE-WPYKKVEZSA-N 0 0 487.714 4.921 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001360612148 1065651856 /nfs/dbraw/zinc/65/18/56/1065651856.db2.gz XEHSCYUQZDPIBR-HXUWFJFHSA-N 0 0 494.640 4.925 20 0 JJADRN 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C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC2CCCCC2)C1 ZINC001360638856 1065705194 /nfs/dbraw/zinc/70/51/94/1065705194.db2.gz KACFMCUWKPXSGH-WOJBJXKFSA-N 0 0 486.661 4.752 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C1 ZINC001360638926 1065705385 /nfs/dbraw/zinc/70/53/85/1065705385.db2.gz LHNOGCSMNQRXRW-SXMMONRFSA-N 0 0 490.048 4.907 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@@H](F)C2)C1 ZINC001360639295 1065706870 /nfs/dbraw/zinc/70/68/70/1065706870.db2.gz OICXDSDKERTIDH-BDKRGJGYSA-N 0 0 486.636 4.532 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccn3C)n2CCCC(F)(F)F)CC1 ZINC001360639252 1065707076 /nfs/dbraw/zinc/70/70/76/1065707076.db2.gz OAPUDJRNXKYOIE-MRXNPFEDSA-N 0 0 484.567 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001438314931 1065707520 /nfs/dbraw/zinc/70/75/20/1065707520.db2.gz SSJONRLALBCHKE-YADHBBJMSA-N 0 0 452.620 4.930 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccn3C)n2CCSc2ccccc2)C1 ZINC001360639351 1065707545 /nfs/dbraw/zinc/70/75/45/1065707545.db2.gz OSOSHAXYNUBFCN-PMACEKPBSA-N 0 0 496.681 4.815 20 0 JJADRN COC(=O)c1ccc(C)c2c1N(C(=O)Cc1ccc(OCCOc3ccccc3)cc1)CCC2 ZINC001438313565 1065707546 /nfs/dbraw/zinc/70/75/46/1065707546.db2.gz CZVHXOMLRLBDLV-UHFFFAOYSA-N 0 0 459.542 4.761 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1oc(-c2ccccc2)nc1C ZINC001438315366 1065707582 /nfs/dbraw/zinc/70/75/82/1065707582.db2.gz JJIMLTLECCGZQS-NRFANRHFSA-N 0 0 452.507 4.968 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccsc2)CC1 ZINC001360639589 1065707852 /nfs/dbraw/zinc/70/78/52/1065707852.db2.gz QQEANOKRCANFDG-GOSISDBHSA-N 0 0 482.654 4.774 20 0 JJADRN COc1ccc2c(c1)nc(NC(=O)c1ccc(OC)c(OC(F)F)c1)n2Cc1ccccc1 ZINC001438316300 1065707900 /nfs/dbraw/zinc/70/79/00/1065707900.db2.gz SECDTSKIIQDIHK-UHFFFAOYSA-N 0 0 453.445 4.956 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1oc(-c2ccccc2)nc1C ZINC001438315367 1065707989 /nfs/dbraw/zinc/70/79/89/1065707989.db2.gz JJIMLTLECCGZQS-OAQYLSRUSA-N 0 0 452.507 4.968 20 0 JJADRN COC(=O)c1ccc(C)c2c1N(C(=O)c1cnc(-c3ccc(OC)c(OC)c3)s1)CCC2 ZINC001438316607 1065708077 /nfs/dbraw/zinc/70/80/77/1065708077.db2.gz VWFKBKOGUSOJCH-UHFFFAOYSA-N 0 0 452.532 4.515 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCCOC(F)F)C1 ZINC001360639648 1065708377 /nfs/dbraw/zinc/70/83/77/1065708377.db2.gz RJWIFTOATNQKJN-WMZOPIPTSA-N 0 0 499.628 4.689 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001438318934 1065708429 /nfs/dbraw/zinc/70/84/29/1065708429.db2.gz YNOWPIZTPIJXFQ-NGHDKMLMSA-N 0 0 458.480 4.962 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccncc2)C1 ZINC001360639857 1065708805 /nfs/dbraw/zinc/70/88/05/1065708805.db2.gz SINPWSZOFGXGAG-QUCCMNQESA-N 0 0 497.043 4.976 20 0 JJADRN CCN(CC)[C@@H](C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001438320611 1065709172 /nfs/dbraw/zinc/70/91/72/1065709172.db2.gz AITQFTVEZZQBDS-PLTNMMHCSA-N 0 0 455.546 4.838 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCOC2CCCCCC2)C1 ZINC001360640049 1065709226 /nfs/dbraw/zinc/70/92/26/1065709226.db2.gz TXQRRFJHDRUJHR-IFMALSPDSA-N 0 0 498.672 4.819 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1OC ZINC001438326149 1065709752 /nfs/dbraw/zinc/70/97/52/1065709752.db2.gz IOOGLKHILPMMRF-MDASCCDHSA-N 0 0 450.760 4.968 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H]2CCCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360640624 1065709953 /nfs/dbraw/zinc/70/99/53/1065709953.db2.gz XFPCKNUZFRQDFU-UQVNRYHBSA-N 0 0 461.651 4.519 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001438331372 1065710479 /nfs/dbraw/zinc/71/04/79/1065710479.db2.gz MKMMDLLQYYWYQC-GOSISDBHSA-N 0 0 456.789 4.792 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCO2)C1 ZINC001360640670 1065710457 /nfs/dbraw/zinc/71/04/57/1065710457.db2.gz XZBRFMHLQSGQHS-SOLBZPMBSA-N 0 0 494.011 4.656 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3nn(-c4ncccc4Cl)cc3Br)on2)cc1 ZINC001438332707 1065710824 /nfs/dbraw/zinc/71/08/24/1065710824.db2.gz QVJOXVZNENCEFD-UHFFFAOYSA-N 0 0 458.703 4.899 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCSC2(C)C)C1 ZINC001360640766 1065710956 /nfs/dbraw/zinc/71/09/56/1065710956.db2.gz ZCXXFBMQMMDBDV-IPMKNSEASA-N 0 0 488.702 4.555 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2cccc(F)c2)C1 ZINC001360640890 1065711493 /nfs/dbraw/zinc/71/14/93/1065711493.db2.gz ANCCMNHVBSEDCY-RBUKOAKNSA-N 0 0 489.636 4.824 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCSC2)CC1 ZINC001360640992 1065711508 /nfs/dbraw/zinc/71/15/08/1065711508.db2.gz BJPLUMXXHMLQIR-ZJOUEHCJSA-N 0 0 493.718 4.793 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(Br)c(OC(C)C)c3)CCC2=O)c1 ZINC001438342473 1065712744 /nfs/dbraw/zinc/71/27/44/1065712744.db2.gz GYEWZPIBKSOSRJ-UHFFFAOYSA-N 0 0 458.356 4.975 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(OC(C)C)c1)c1ccc(F)cc1F ZINC001438342241 1065712918 /nfs/dbraw/zinc/71/29/18/1065712918.db2.gz FCPUSADGLIHPSS-SFHVURJKSA-N 0 0 455.299 4.721 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(O)c2)CC1 ZINC001360641211 1065713190 /nfs/dbraw/zinc/71/31/90/1065713190.db2.gz DXPGGNOJFXNUMS-SFHVURJKSA-N 0 0 469.630 4.819 20 0 JJADRN O=C(Nc1nn(-c2ncccc2Cl)cc1Br)c1ccc(Cn2cccc2)cc1 ZINC001438346437 1065713360 /nfs/dbraw/zinc/71/33/60/1065713360.db2.gz WCVPTNQDQPKICI-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001360641403 1065713728 /nfs/dbraw/zinc/71/37/28/1065713728.db2.gz HRXYCVUQUYXVIM-PXNSSMCTSA-N 0 0 484.645 4.516 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCC2(F)F)C1 ZINC001360641750 1065714662 /nfs/dbraw/zinc/71/46/62/1065714662.db2.gz MTMSXPHWCXOGHV-CGTJXYLNSA-N 0 0 453.578 4.721 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001360641787 1065714844 /nfs/dbraw/zinc/71/48/44/1065714844.db2.gz NETSKLSPYQUXFU-MAUKXSAKSA-N 0 0 493.574 4.630 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001360641786 1065714868 /nfs/dbraw/zinc/71/48/68/1065714868.db2.gz NETSKLSPYQUXFU-CRAIPNDOSA-N 0 0 493.574 4.630 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCCCC2)CC1 ZINC001360641928 1065715244 /nfs/dbraw/zinc/71/52/44/1065715244.db2.gz PMHKXSWELWWOCP-FQEVSTJZSA-N 0 0 482.673 4.974 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC001438353802 1065715235 /nfs/dbraw/zinc/71/52/35/1065715235.db2.gz UFUWQKDBZNBCJR-WMZOPIPTSA-N 0 0 454.368 4.970 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccncc3)n2CCCC(F)(F)F)CC1 ZINC001360642443 1065716228 /nfs/dbraw/zinc/71/62/28/1065716228.db2.gz UDDMTZICNNRZCY-KRWDZBQOSA-N 0 0 496.578 4.736 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C)CCC2)CC1 ZINC001360642393 1065716321 /nfs/dbraw/zinc/71/63/21/1065716321.db2.gz SRVSLQDABFSWBV-ICSRJNTNSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C)CCC2)CC1 ZINC001360642395 1065716339 /nfs/dbraw/zinc/71/63/39/1065716339.db2.gz SRVSLQDABFSWBV-UYAOXDASSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001438361485 1065716468 /nfs/dbraw/zinc/71/64/68/1065716468.db2.gz PNIPLHHHNILXJQ-WBVHZDCISA-N 0 0 451.405 4.991 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)c1csc(Cc3cccc(C(F)(F)F)c3)n1)CC2 ZINC001438362865 1065716552 /nfs/dbraw/zinc/71/65/52/1065716552.db2.gz IAKCCZMXTGTOPM-UHFFFAOYSA-N 0 0 459.493 4.910 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCSC2)CC1 ZINC001360642654 1065716822 /nfs/dbraw/zinc/71/68/22/1065716822.db2.gz WGOVLQMIUNJGSN-MSOLQXFVSA-N 0 0 465.708 4.749 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)C1(c3cncc(Br)c3)CC1)C2 ZINC001438367413 1065717029 /nfs/dbraw/zinc/71/70/29/1065717029.db2.gz XLDISTLCQMGNHO-UHFFFAOYSA-N 0 0 450.174 4.532 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC001438367770 1065717596 /nfs/dbraw/zinc/71/75/96/1065717596.db2.gz RNPCRDDSDVGJHM-VXKWHMMOSA-N 0 0 458.986 4.978 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001360643538 1065717770 /nfs/dbraw/zinc/71/77/70/1065717770.db2.gz PFNOKAJIPIYMHU-UHFFFAOYSA-N 0 0 450.766 4.906 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)CC2)CC1 ZINC001360643220 1065717813 /nfs/dbraw/zinc/71/78/13/1065717813.db2.gz YRXMETICLGVGOW-GOSISDBHSA-N 0 0 471.621 4.938 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 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NTUOCKNEHRFBFI-RCCFBDPRSA-N 0 0 465.185 4.824 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC001360648418 1065724220 /nfs/dbraw/zinc/72/42/20/1065724220.db2.gz PFIHVAPXDQXCIL-REWPJTCUSA-N 0 0 454.998 4.728 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1I ZINC001438482032 1065724603 /nfs/dbraw/zinc/72/46/03/1065724603.db2.gz HFPXDZRVDXGWER-FQEVSTJZSA-N 0 0 453.368 4.630 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001438483579 1065724667 /nfs/dbraw/zinc/72/46/67/1065724667.db2.gz JMDNNDUSJYUAFL-DQEYMECFSA-N 0 0 453.533 4.931 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001438483604 1065724768 /nfs/dbraw/zinc/72/47/68/1065724768.db2.gz JMDNNDUSJYUAFL-JWQCQUIFSA-N 0 0 453.533 4.931 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC001360649601 1065724793 /nfs/dbraw/zinc/72/47/93/1065724793.db2.gz OSQPBHABYQJPPP-UHFFFAOYSA-N 0 0 456.302 4.963 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001360649332 1065724829 /nfs/dbraw/zinc/72/48/29/1065724829.db2.gz IKNIYGBZDRUMCG-UHFFFAOYSA-N 0 0 452.324 4.993 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)OCCc2ccc(C)cc2)c1 ZINC001360652067 1065725235 /nfs/dbraw/zinc/72/52/35/1065725235.db2.gz ALBHFFJVHHZIKV-UHFFFAOYSA-N 0 0 453.560 4.537 20 0 JJADRN C[C@@H]1[C@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001360652542 1065725477 /nfs/dbraw/zinc/72/54/77/1065725477.db2.gz IPVGVPJHSUUVFG-CRAIPNDOSA-N 0 0 451.405 4.585 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)no1 ZINC001360653417 1065726020 /nfs/dbraw/zinc/72/60/20/1065726020.db2.gz YGNWXNPLHUACEH-UHFFFAOYSA-N 0 0 456.340 4.523 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(CC3CC3)c3cccc(F)c3)CC2)c(C)c1 ZINC001438493903 1065726454 /nfs/dbraw/zinc/72/64/54/1065726454.db2.gz RSSINXJAOOIATM-UHFFFAOYSA-N 0 0 458.599 4.595 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CC(c4c(F)cccc4F)=NO3)s2)cc1 ZINC001360654692 1065726423 /nfs/dbraw/zinc/72/64/23/1065726423.db2.gz UPAZDXNLQMIKIQ-CWTRNNRKSA-N 0 0 457.502 4.776 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3nc(N4CCCC4)ncc3Cl)s2)cc1 ZINC001360654316 1065726437 /nfs/dbraw/zinc/72/64/37/1065726437.db2.gz JMEDZSBBZMTDFO-CYBMUJFWSA-N 0 0 457.987 4.662 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3nc(N4CCCC4)ncc3Cl)s2)cc1 ZINC001360654317 1065726499 /nfs/dbraw/zinc/72/64/99/1065726499.db2.gz JMEDZSBBZMTDFO-ZDUSSCGKSA-N 0 0 457.987 4.662 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccn(Cc4ccccc4)c3=O)s2)cc1 ZINC001360654750 1065727000 /nfs/dbraw/zinc/72/70/00/1065727000.db2.gz WMFULPNVCLTFAL-QGZVFWFLSA-N 0 0 459.571 4.828 20 0 JJADRN O=C(c1ccc2ccc(Br)cc2c1)N(CCN1CCOCC1)c1ccccc1F ZINC001438521001 1065728455 /nfs/dbraw/zinc/72/84/55/1065728455.db2.gz XUQFALDQQLSSEZ-UHFFFAOYSA-N 0 0 457.343 4.720 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 ZINC001360659706 1065728412 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JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCc1cc(Br)ccc1F ZINC001360664769 1065730059 /nfs/dbraw/zinc/73/00/59/1065730059.db2.gz MQBDRJJYQYAUMB-NRFANRHFSA-N 0 0 459.400 4.967 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1cc(I)ccc1F ZINC001438541166 1065729957 /nfs/dbraw/zinc/72/99/57/1065729957.db2.gz VNKKVDPRTGWXST-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1ccc(F)cc1I ZINC001438538018 1065730139 /nfs/dbraw/zinc/73/01/39/1065730139.db2.gz OLCLWXYCNSJFRR-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360666870 1065730598 /nfs/dbraw/zinc/73/05/98/1065730598.db2.gz LFAKWRWRQFUSLS-ORFRNNEJSA-N 0 0 499.603 4.564 20 0 JJADRN CC(F)(F)C(C)(C)CNC(=O)c1cc(I)ccc1N1CCCCC1 ZINC001438542921 1065730572 /nfs/dbraw/zinc/73/05/72/1065730572.db2.gz ZGFJZZNNITYGPM-UHFFFAOYSA-N 0 0 450.311 4.693 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1F ZINC001438544980 1065730636 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CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC001439081616 1065782998 /nfs/dbraw/zinc/78/29/98/1065782998.db2.gz CRPXTPGQOOSGSC-SJKOYZFVSA-N 0 0 452.324 4.531 20 0 JJADRN COCC(C)(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001439079578 1065783062 /nfs/dbraw/zinc/78/30/62/1065783062.db2.gz JULGFZVPQSDDFI-UKILVPOCSA-N 0 0 452.595 4.667 20 0 JJADRN COCC(C)(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001439079575 1065783123 /nfs/dbraw/zinc/78/31/23/1065783123.db2.gz JULGFZVPQSDDFI-ILBGXUMGSA-N 0 0 452.595 4.667 20 0 JJADRN COc1cc(/C=C/C(=O)N2CC[C@@H](c3nc(C)cs3)C2)ccc1OCc1c(C)noc1C ZINC001439087356 1065783704 /nfs/dbraw/zinc/78/37/04/1065783704.db2.gz IJVJNILRJXZQRR-ZLQZBKBYSA-N 0 0 453.564 4.673 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001439089639 1065783714 /nfs/dbraw/zinc/78/37/14/1065783714.db2.gz HYDKJEICYZCQHT-HOCLYGCPSA-N 0 0 457.621 4.617 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC(=O)NC(C)(C)C ZINC001360744965 1065783743 /nfs/dbraw/zinc/78/37/43/1065783743.db2.gz DWHVIENEIPWRBD-HZPDHXFCSA-N 0 0 485.526 4.641 20 0 JJADRN CN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C1(Cc2ccccc2)CCCC1 ZINC001439092780 1065784029 /nfs/dbraw/zinc/78/40/29/1065784029.db2.gz GYCHEMNPADWCEI-OAQYLSRUSA-N 0 0 454.998 4.581 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(Br)c(C)cc1OC)c1ccccc1Cl ZINC001439095129 1065784163 /nfs/dbraw/zinc/78/41/63/1065784163.db2.gz SAXRXSDJFKKJNQ-QGZVFWFLSA-N 0 0 454.748 4.844 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1nccn1C(F)F ZINC001360745399 1065784167 /nfs/dbraw/zinc/78/41/67/1065784167.db2.gz JWMJYYCZONETHI-UONOGXRCSA-N 0 0 488.436 4.976 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1nccn1C(F)F ZINC001360745397 1065784414 /nfs/dbraw/zinc/78/44/14/1065784414.db2.gz JWMJYYCZONETHI-KBPBESRZSA-N 0 0 488.436 4.976 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)c3cnc4ncc(Br)cc4c3)s2)c1 ZINC001439097270 1065785207 /nfs/dbraw/zinc/78/52/07/1065785207.db2.gz AEUIJYDDUYVYPG-UHFFFAOYSA-N 0 0 455.337 4.701 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001439099360 1065785304 /nfs/dbraw/zinc/78/53/04/1065785304.db2.gz CYKHNXNYJUQHNJ-OXQOHEQNSA-N 0 0 452.542 4.808 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001439099356 1065785332 /nfs/dbraw/zinc/78/53/32/1065785332.db2.gz CYKHNXNYJUQHNJ-OXJNMPFZSA-N 0 0 452.542 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC001439098294 1065785359 /nfs/dbraw/zinc/78/53/59/1065785359.db2.gz CCWAERAYJIJKCP-NRFANRHFSA-N 0 0 456.562 4.701 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCCO1 ZINC001360745597 1065785448 /nfs/dbraw/zinc/78/54/48/1065785448.db2.gz NCWTZRGLAAQGCV-BXWFABGCSA-N 0 0 456.484 4.905 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cnc(Br)s2)CC1 ZINC001439101409 1065785739 /nfs/dbraw/zinc/78/57/39/1065785739.db2.gz HJVHTIAQOWUDOK-CQSZACIVSA-N 0 0 458.422 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cnn(CCC(F)(F)F)c2)CC1 ZINC001439101260 1065785809 /nfs/dbraw/zinc/78/58/09/1065785809.db2.gz GRJIBUWXZAMIRA-QGZVFWFLSA-N 0 0 458.525 4.525 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H]2c2ccco2)n1CCC(=O)NC(C)(C)C ZINC001360745841 1065786552 /nfs/dbraw/zinc/78/65/52/1065786552.db2.gz PISOIVMTUNRXBM-XLIONFOSSA-N 0 0 469.561 4.797 20 0 JJADRN C[C@@H]1CCN(c2cc(C(=O)N[C@@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001439104614 1065786982 /nfs/dbraw/zinc/78/69/82/1065786982.db2.gz OFJSACBBVPXITG-TZIWHRDSSA-N 0 0 456.631 4.618 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CCNC(=O)C(C)(C)C ZINC001360745938 1065786969 /nfs/dbraw/zinc/78/69/69/1065786969.db2.gz QQRFSNPVCFYOHL-UYAOXDASSA-N 0 0 499.656 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC001439107948 1065787519 /nfs/dbraw/zinc/78/75/19/1065787519.db2.gz ZHVXKMAELBDFCL-FQEVSTJZSA-N 0 0 457.546 4.769 20 0 JJADRN C[C@@H]1CCn2ncc(C(=O)N3CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001439110025 1065787532 /nfs/dbraw/zinc/78/75/32/1065787532.db2.gz BRROEIYDGZVENR-WOIUINJBSA-N 0 0 458.647 4.791 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)c1csc(-c2c(F)cccc2F)n1 ZINC001439111473 1065787890 /nfs/dbraw/zinc/78/78/90/1065787890.db2.gz ORRFAQNORXDAHQ-UHFFFAOYSA-N 0 0 450.514 4.920 20 0 JJADRN CC(C)(C)c1ccc(CNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)s1 ZINC001439110380 1065787963 /nfs/dbraw/zinc/78/79/63/1065787963.db2.gz QIKVGITYYMTEHI-UHFFFAOYSA-N 0 0 458.443 4.678 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC3(CCOCC3)C2)n1CCCOC(F)(F)F ZINC001360746204 1065787907 /nfs/dbraw/zinc/78/79/07/1065787907.db2.gz UYUYNJCDWLECOQ-QGZVFWFLSA-N 0 0 486.510 4.881 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOc1ncccc1F ZINC001360746683 1065788439 /nfs/dbraw/zinc/78/84/39/1065788439.db2.gz XWQBPPXYKNIJGM-DYESRHJHSA-N 0 0 457.525 4.795 20 0 JJADRN Cc1ccc(N(C(=O)c2cc3c(cc2Br)OCO3)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439115810 1065788957 /nfs/dbraw/zinc/78/89/57/1065788957.db2.gz IPHQWZTUOFDEEU-SJCJKPOMSA-N 0 0 452.732 4.964 20 0 JJADRN Cc1ccc(N(C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439117283 1065789756 /nfs/dbraw/zinc/78/97/56/1065789756.db2.gz PSFIVSCZUUOBQN-BTYIYWSLSA-N 0 0 453.963 4.794 20 0 JJADRN O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCc1ccccc1Br ZINC001439119865 1065790214 /nfs/dbraw/zinc/79/02/14/1065790214.db2.gz WCVZGTAMGBBVMU-UHFFFAOYSA-N 0 0 453.292 4.805 20 0 JJADRN CC(C)[C@@H]1CCC[C@@](NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)(C(F)(F)F)CC1 ZINC001439123471 1065790520 /nfs/dbraw/zinc/79/05/20/1065790520.db2.gz FPSNCBRZJVHMAS-XGRCMKMKSA-N 0 0 459.553 4.531 20 0 JJADRN CC(C)[C@@H]1CCC[C@@](NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)(C(F)(F)F)CC1 ZINC001439123425 1065790730 /nfs/dbraw/zinc/79/07/30/1065790730.db2.gz FPSNCBRZJVHMAS-HVETUWLQSA-N 0 0 459.553 4.531 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)c1ccc(Br)cc1Cl)O2 ZINC001439133895 1065791488 /nfs/dbraw/zinc/79/14/88/1065791488.db2.gz IPEFGBFZIMNJSF-HHGQXBFMSA-N 0 0 458.780 4.502 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439134031 1065791688 /nfs/dbraw/zinc/79/16/88/1065791688.db2.gz IQSVBUHWECUUIX-HOYUBGIKSA-N 0 0 454.567 4.864 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439135333 1065792036 /nfs/dbraw/zinc/79/20/36/1065792036.db2.gz NIAXKULCCIBGKT-LJRHVKPKSA-N 0 0 456.410 4.958 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C ZINC001439137155 1065792099 /nfs/dbraw/zinc/79/20/99/1065792099.db2.gz VWRXZNPVUQJZGX-MZADTFQBSA-N 0 0 453.608 4.692 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC[C@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360749328 1065792215 /nfs/dbraw/zinc/79/22/15/1065792215.db2.gz CVWPUZLTRZLOEE-RTBURBONSA-N 0 0 482.604 4.503 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001439140884 1065792483 /nfs/dbraw/zinc/79/24/83/1065792483.db2.gz MEOQAWOOBOFKOK-AWEZNQCLSA-N 0 0 454.368 4.564 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001439147801 1065792967 /nfs/dbraw/zinc/79/29/67/1065792967.db2.gz FHWQDRWSXVLLEN-LJQANCHMSA-N 0 0 450.604 4.753 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1OC ZINC001439153303 1065792984 /nfs/dbraw/zinc/79/29/84/1065792984.db2.gz BRXBJBYJZKIRON-NDIWIEOSSA-N 0 0 452.595 4.969 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2C)CCS1 ZINC001360749744 1065793063 /nfs/dbraw/zinc/79/30/63/1065793063.db2.gz IDSYPKFJILSXFN-MOXWOTFGSA-N 0 0 462.635 4.808 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 ZINC001360749745 1065793280 /nfs/dbraw/zinc/79/32/80/1065793280.db2.gz IDSYPKFJILSXFN-OZIGNCPNSA-N 0 0 462.635 4.808 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360749799 1065793306 /nfs/dbraw/zinc/79/33/06/1065793306.db2.gz QILIYADZKPJAEB-LPEPYADSSA-N 0 0 474.621 4.750 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2cc(Br)cc(OC)c2)CC1=O ZINC001439159050 1065793532 /nfs/dbraw/zinc/79/35/32/1065793532.db2.gz JURYVGZYDSLRGS-NVXWUHKLSA-N 0 0 459.384 4.641 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2cc(F)c(Br)c(Cl)c2)c1 ZINC001439158891 1065793557 /nfs/dbraw/zinc/79/35/57/1065793557.db2.gz IHIUACCLQGPIPA-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)co2)cc1 ZINC001439167075 1065794004 /nfs/dbraw/zinc/79/40/04/1065794004.db2.gz FAQLUIHDUJUGQM-UTKZUKDTSA-N 0 0 458.345 4.793 20 0 JJADRN 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C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(F)cn1 ZINC001360760959 1065835527 /nfs/dbraw/zinc/83/55/27/1065835527.db2.gz VTGWPHIXQDKJRF-KKSFZXQISA-N 0 0 473.980 4.905 20 0 JJADRN CN(C)c1ccc(CCC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001439500832 1065835457 /nfs/dbraw/zinc/83/54/57/1065835457.db2.gz KZESUDQXTVNBLM-LJQANCHMSA-N 0 0 455.574 4.555 20 0 JJADRN COc1cccc(C(C)(C)C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001439500850 1065835496 /nfs/dbraw/zinc/83/54/96/1065835496.db2.gz LZLVHERQIGSLAY-KRWDZBQOSA-N 0 0 456.558 4.842 20 0 JJADRN O=C(CCS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCc2cccc3cccc1c32 ZINC001439500420 1065835513 /nfs/dbraw/zinc/83/55/13/1065835513.db2.gz PIPZWXRNSBQLPG-HXUWFJFHSA-N 0 0 458.377 4.570 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cccc4cccc2c43)ccc1Cl ZINC001439504753 1065836073 /nfs/dbraw/zinc/83/60/73/1065836073.db2.gz XTIUGYOMBQSGIO-NRFANRHFSA-N 0 0 456.995 4.941 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(I)c(C)c2C)c1 ZINC001439503809 1065836157 /nfs/dbraw/zinc/83/61/57/1065836157.db2.gz DFCSEEJHVUKGJS-ZBFHGGJFSA-N 0 0 451.304 4.667 20 0 JJADRN Cc1c(C)c(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)ccc1I ZINC001439507850 1065836749 /nfs/dbraw/zinc/83/67/49/1065836749.db2.gz PFPOQLGNWDHLSK-UHFFFAOYSA-N 0 0 456.711 4.998 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2ncoc2-c2ccccc2)C1 ZINC001439508258 1065836799 /nfs/dbraw/zinc/83/67/99/1065836799.db2.gz YTKLNHFFOWQDQY-MRXNPFEDSA-N 0 0 451.498 4.825 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001360761299 1065837029 /nfs/dbraw/zinc/83/70/29/1065837029.db2.gz DDXMCZOPOJMCEL-VXKWHMMOSA-N 0 0 457.412 4.858 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1S(=O)(=O)NC(C)C ZINC001439514675 1065837427 /nfs/dbraw/zinc/83/74/27/1065837427.db2.gz NSPQABSEHZTXIC-UHFFFAOYSA-N 0 0 458.511 4.566 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)c1 ZINC001439510289 1065837647 /nfs/dbraw/zinc/83/76/47/1065837647.db2.gz NMVXTFRHKXFZQR-UHFFFAOYSA-N 0 0 451.182 4.580 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCSC(F)(F)F ZINC001360762195 1065838182 /nfs/dbraw/zinc/83/81/82/1065838182.db2.gz BNYORPHIXWYNQX-WWGRRREGSA-N 0 0 464.941 4.532 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1CCOCC1 ZINC001360762640 1065839998 /nfs/dbraw/zinc/83/99/98/1065839998.db2.gz JBRFKKCZZNIHLI-ULQDDVLXSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360762603 1065840250 /nfs/dbraw/zinc/84/02/50/1065840250.db2.gz IMCBETAFSJGMCR-QGZVFWFLSA-N 0 0 466.623 4.539 20 0 JJADRN CO[C@H](C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC001439551749 1065840208 /nfs/dbraw/zinc/84/02/08/1065840208.db2.gz GCBKKBGBZKTKIM-CVEARBPZSA-N 0 0 458.349 4.536 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccc(Br)n1 ZINC001360762755 1065840783 /nfs/dbraw/zinc/84/07/83/1065840783.db2.gz KZMPDLIYZOVBAH-ZBFHGGJFSA-N 0 0 492.418 4.705 20 0 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O=C(NCC[C@H]1CCC2(CCC2)O1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001439582596 1065843879 /nfs/dbraw/zinc/84/38/79/1065843879.db2.gz PFCQGWGJNLJYJA-HXUWFJFHSA-N 0 0 457.368 4.923 20 0 JJADRN CN(C)c1cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc(C(F)(F)F)c1 ZINC001439583947 1065843924 /nfs/dbraw/zinc/84/39/24/1065843924.db2.gz AUTOCEWRIFQPQD-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN CCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cnn1-c1cccc(Cl)c1 ZINC001439586855 1065844488 /nfs/dbraw/zinc/84/44/88/1065844488.db2.gz KBXBVWMNCRUFRC-UHFFFAOYSA-N 0 0 452.942 4.722 20 0 JJADRN Cc1ccc([C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001360763881 1065844705 /nfs/dbraw/zinc/84/47/05/1065844705.db2.gz GUYPBYKTJKFKOE-QUCCMNQESA-N 0 0 457.412 4.838 20 0 JJADRN CC(C)(C(=O)NCc1noc2c1COCC2)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001439585436 1065844938 /nfs/dbraw/zinc/84/49/38/1065844938.db2.gz GFSBTWXGLCYZNT-UHFFFAOYSA-N 0 0 452.363 4.772 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnccn2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360764911 1065846775 /nfs/dbraw/zinc/84/67/75/1065846775.db2.gz HKMPCUTZMKEZSM-ZDUSSCGKSA-N 0 0 493.490 4.507 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H]1CCOC1 ZINC001360764955 1065846955 /nfs/dbraw/zinc/84/69/55/1065846955.db2.gz IFAURPOTDRZRRK-ZIAGYGMSSA-N 0 0 485.507 4.705 20 0 JJADRN CS(C)(=O)=Nc1ccccc1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001439609496 1065847709 /nfs/dbraw/zinc/84/77/09/1065847709.db2.gz JIDYTIRFNPFYEP-UHFFFAOYSA-N 0 0 454.502 4.569 20 0 JJADRN CCCN(C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)[C@@H](C)C(=O)OC ZINC001439625648 1065849211 /nfs/dbraw/zinc/84/92/11/1065849211.db2.gz FSWAJOCPOYPIML-AWEZNQCLSA-N 0 0 454.350 4.995 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360765361 1065849696 /nfs/dbraw/zinc/84/96/96/1065849696.db2.gz PWDZOYBUNAOWLY-QGZVFWFLSA-N 0 0 461.582 4.660 20 0 JJADRN CC1(C)C[C@H](CNC(=O)c2cc(I)c(Cl)cc2Cl)C(C)(C)O1 ZINC001439628866 1065849925 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JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCOc1ccc(Cl)cn1 ZINC001360765786 1065851881 /nfs/dbraw/zinc/85/18/81/1065851881.db2.gz YDWRCPYQJVLAGK-HKUYNNGSSA-N 0 0 489.979 4.690 20 0 JJADRN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)c1OCc1ccccc1 ZINC001439646648 1065852924 /nfs/dbraw/zinc/85/29/24/1065852924.db2.gz RILNDBLQJDYETJ-UHFFFAOYSA-N 0 0 457.324 4.640 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1coc(C2CCOCC2)n1)C1CC1 ZINC001360766417 1065853209 /nfs/dbraw/zinc/85/32/09/1065853209.db2.gz SGGLMDZLAAPCME-UHFFFAOYSA-N 0 0 455.555 4.711 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1 ZINC001360766385 1065853226 /nfs/dbraw/zinc/85/32/26/1065853226.db2.gz RCLNSMRXLOKGJJ-GOSISDBHSA-N 0 0 454.386 4.902 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N(Cc2ccoc2)C2CC2)c(Cl)cc1Cl ZINC001439651783 1065853703 /nfs/dbraw/zinc/85/37/03/1065853703.db2.gz IECUUNXLDUBGDP-ZDUSSCGKSA-N 0 0 459.395 4.858 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001439673028 1065854989 /nfs/dbraw/zinc/85/49/89/1065854989.db2.gz BCMNGMPZYJETMJ-UHFFFAOYSA-N 0 0 455.551 4.561 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC=CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360767189 1065855278 /nfs/dbraw/zinc/85/52/78/1065855278.db2.gz LCSKSCRFGUQLCL-QGZVFWFLSA-N 0 0 459.566 4.627 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC001439677230 1065855760 /nfs/dbraw/zinc/85/57/60/1065855760.db2.gz WSUAVUGEYUYPIU-FGZHOGPDSA-N 0 0 470.635 4.960 20 0 JJADRN C[S@](=O)(=NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccc(Cl)c1 ZINC001439677248 1065855833 /nfs/dbraw/zinc/85/58/33/1065855833.db2.gz SODUHVRWQVDKOQ-WJOKGBTCSA-N 0 0 453.951 4.952 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CCCC(C)(C)C ZINC001360767325 1065855925 /nfs/dbraw/zinc/85/59/25/1065855925.db2.gz NRBOQBJYLGNZPQ-YSIASYRMSA-N 0 0 457.594 4.631 20 0 JJADRN CC(C)(C)Oc1cccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001439679016 1065856549 /nfs/dbraw/zinc/85/65/49/1065856549.db2.gz MVGUOTYRYPISLD-UHFFFAOYSA-N 0 0 454.386 4.819 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCSC[C@@H]3c3cnn(C)c3)c12 ZINC001439682175 1065857127 /nfs/dbraw/zinc/85/71/27/1065857127.db2.gz SWGHWOOSBNBWPA-HXUWFJFHSA-N 0 0 454.644 4.672 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS2)CC1 ZINC001360767920 1065857497 /nfs/dbraw/zinc/85/74/97/1065857497.db2.gz VPUYQLOFZPREGF-AZUAARDMSA-N 0 0 489.661 4.536 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 ZINC001360767950 1065858200 /nfs/dbraw/zinc/85/82/00/1065858200.db2.gz WCSUIHPWCLKIPR-OALUTQOASA-N 0 0 470.593 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC001360768453 1065858293 /nfs/dbraw/zinc/85/82/93/1065858293.db2.gz MTWAHAKUKZYEAV-SIKLNZKXSA-N 0 0 458.599 4.968 20 0 JJADRN C[C@H](CC(N)=O)c1ccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)cc1 ZINC001439694821 1065858648 /nfs/dbraw/zinc/85/86/48/1065858648.db2.gz OHMLEGNGNNEZEW-SNVBAGLBSA-N 0 0 450.383 4.865 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)nc2)C1 ZINC001360768933 1065859170 /nfs/dbraw/zinc/85/91/70/1065859170.db2.gz AAEFYOCZIPEMBC-ICSRJNTNSA-N 0 0 452.578 4.549 20 0 JJADRN COc1cc2ccc(C(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc2cc1OC ZINC001439697181 1065859887 /nfs/dbraw/zinc/85/98/87/1065859887.db2.gz VSGSWOPJGREZCK-FQRUVTKNSA-N 0 0 454.567 4.767 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc2ccccc21 ZINC001439699374 1065859981 /nfs/dbraw/zinc/85/99/81/1065859981.db2.gz BNGUYDWMDBJJCV-OAQYLSRUSA-N 0 0 453.583 4.933 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)c(F)c2)CCC1 ZINC001439699284 1065860032 /nfs/dbraw/zinc/86/00/32/1065860032.db2.gz ALMFLDNESMPALC-OAQYLSRUSA-N 0 0 456.562 4.701 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCCN(C)CC(F)(F)F ZINC001360769129 1065860393 /nfs/dbraw/zinc/86/03/93/1065860393.db2.gz DOGZSPPFGNPCQF-KSZLIROESA-N 0 0 471.543 4.924 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CC=CCO1 ZINC001360769147 1065860467 /nfs/dbraw/zinc/86/04/67/1065860467.db2.gz DTWAXJNQURHZKH-LSDHHAIUSA-N 0 0 453.345 4.802 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC(C)(C)O ZINC001360769256 1065860890 /nfs/dbraw/zinc/86/08/90/1065860890.db2.gz GNMSDMIDUGGTPK-HNNXBMFYSA-N 0 0 458.500 4.887 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cnn(CCC(F)(F)F)c2)CCC1 ZINC001439703795 1065861911 /nfs/dbraw/zinc/86/19/11/1065861911.db2.gz LZBYHVXRHZJXKS-KRWDZBQOSA-N 0 0 458.525 4.525 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)cc1 ZINC001439703173 1065862056 /nfs/dbraw/zinc/86/20/56/1065862056.db2.gz IBPWBLDYBDNXKN-QFIPXVFZSA-N 0 0 450.608 4.719 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)c1 ZINC001439706818 1065862631 /nfs/dbraw/zinc/86/26/31/1065862631.db2.gz OCSSLIIXKZFSAP-UHFFFAOYSA-N 0 0 450.901 4.991 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCOCC1 ZINC001360769696 1065862749 /nfs/dbraw/zinc/86/27/49/1065862749.db2.gz MAVOCOUPDQQENP-FUDKSRODSA-N 0 0 487.664 4.786 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769646 1065862775 /nfs/dbraw/zinc/86/27/75/1065862775.db2.gz LNMYJONHCUKTKB-RTWAWAEBSA-N 0 0 473.637 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCC(CC4CCCCC4)CC3)nn2)CC1 ZINC001439710107 1065863150 /nfs/dbraw/zinc/86/31/50/1065863150.db2.gz PSEDDGUXEYBLAC-UHFFFAOYSA-N 0 0 459.635 4.673 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCCO)CC2)n1CCSC(F)(F)F ZINC001360769912 1065863398 /nfs/dbraw/zinc/86/33/98/1065863398.db2.gz PNAGNNUFFHSDGU-HNNXBMFYSA-N 0 0 476.540 4.799 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001439727518 1065864492 /nfs/dbraw/zinc/86/44/92/1065864492.db2.gz IGIWPSUPLQKTPL-YVEFUNNKSA-N 0 0 457.821 4.838 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2OC)[C@@H]1c1ccccc1OC ZINC001439728406 1065864712 /nfs/dbraw/zinc/86/47/12/1065864712.db2.gz WHPGIHHXBBVNIQ-CVDCTZTESA-N 0 0 458.986 4.753 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001360770060 1065864631 /nfs/dbraw/zinc/86/46/31/1065864631.db2.gz SFLIGTWAKVHHSH-FQEVSTJZSA-N 0 0 473.637 4.540 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCC[C@H]2CCC(C)(C)CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439733074 1065866445 /nfs/dbraw/zinc/86/64/45/1065866445.db2.gz GNOVMOOFXCPBQH-LLGFUMIMSA-N 0 0 452.998 4.879 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(SC(F)(F)F)c2)ccc1Cl ZINC001439732387 1065866499 /nfs/dbraw/zinc/86/64/99/1065866499.db2.gz BOCPFIHFLCHHAW-UHFFFAOYSA-N 0 0 453.891 4.559 20 0 JJADRN CC[S@@](=O)(=NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)c1cccc(Cl)c1 ZINC001439733364 1065866621 /nfs/dbraw/zinc/86/66/21/1065866621.db2.gz NHVOYHHVWYRHDM-PTFIGZPYSA-N 0 0 455.761 4.602 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439732448 1065866657 /nfs/dbraw/zinc/86/66/57/1065866657.db2.gz FQQQQFXADPBBAE-QRWLVFNGSA-N 0 0 452.904 4.958 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Cl)C1)c1ccc(Cl)cc1 ZINC001439732459 1065866763 /nfs/dbraw/zinc/86/67/63/1065866763.db2.gz FUJGGJUDAPARSI-OAHLLOKOSA-N 0 0 456.167 4.791 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360770536 1065866859 /nfs/dbraw/zinc/86/68/59/1065866859.db2.gz YUXVPSSVFSDOEB-ZCNNSNEGSA-N 0 0 457.594 4.585 20 0 JJADRN CC[S@@](=O)(=NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(Cl)c1 ZINC001439734801 1065867216 /nfs/dbraw/zinc/86/72/16/1065867216.db2.gz QWKUVGNUTNYMLE-HKBQPEDESA-N 0 0 458.967 4.956 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)/C(=C/c1ccccc1)C(F)(F)F ZINC001360770667 1065867365 /nfs/dbraw/zinc/86/73/65/1065867365.db2.gz HTWMMEUZJOQKQJ-YTMAHBJJSA-N 0 0 452.476 4.676 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@@H]1C ZINC001360770557 1065867524 /nfs/dbraw/zinc/86/75/24/1065867524.db2.gz ZCIZXOZTUHVQJP-ABSDTBQOSA-N 0 0 473.593 4.879 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001439735715 1065867837 /nfs/dbraw/zinc/86/78/37/1065867837.db2.gz XMQAGZZEWKYNLU-IAGOWNOFSA-N 0 0 450.542 4.666 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1)c1ccc(Cl)cc1 ZINC001439741886 1065868570 /nfs/dbraw/zinc/86/85/70/1065868570.db2.gz VOHSGWYGNBQJTM-LJQANCHMSA-N 0 0 450.888 4.811 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2c2cccs2)n1CC(=O)NCC(F)(F)F ZINC001360771701 1065869018 /nfs/dbraw/zinc/86/90/18/1065869018.db2.gz BZVPLGPOLYBLCQ-HOCLYGCPSA-N 0 0 497.518 4.639 20 0 JJADRN O=C(NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC001439748673 1065870281 /nfs/dbraw/zinc/87/02/81/1065870281.db2.gz LJHRWVGCCLXEML-QXMXGUDHSA-N 0 0 458.338 4.763 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC001439749082 1065870403 /nfs/dbraw/zinc/87/04/03/1065870403.db2.gz WADZGJHXVDVTMD-JOCHJYFZSA-N 0 0 450.922 4.935 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)N3CCC[C@@H]3Cc3ccc(Br)cc3)CC2=O)c1C ZINC001439750758 1065870799 /nfs/dbraw/zinc/87/07/99/1065870799.db2.gz RIWMSRYSRTWLID-TZIWHRDSSA-N 0 0 455.396 4.653 20 0 JJADRN Cn1nc2c(c1C(=O)Nc1ccc(OCCCOc3ccccc3)c(Cl)c1)CSCC2 ZINC001439755935 1065870923 /nfs/dbraw/zinc/87/09/23/1065870923.db2.gz AHPRKFVRRBXJLN-UHFFFAOYSA-N 0 0 457.983 4.963 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3ccc4c(c3)CCO4)c2)cc1 ZINC001439758505 1065871607 /nfs/dbraw/zinc/87/16/07/1065871607.db2.gz PJWXYCLZVJLMKN-GOSISDBHSA-N 0 0 451.544 4.673 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1CCNc1ncc(Cl)cc1Cl ZINC001360773798 1065872392 /nfs/dbraw/zinc/87/23/92/1065872392.db2.gz LORKKJMITHTLHC-HNNXBMFYSA-N 0 0 495.386 4.598 20 0 JJADRN O=C([C@@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001439759744 1065872506 /nfs/dbraw/zinc/87/25/06/1065872506.db2.gz NAYHWQHDNLZHKU-BHYGNILZSA-N 0 0 450.295 4.567 20 0 JJADRN O=C(c1ccccc1OC(F)F)N1CCC[C@H](C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)C1 ZINC001439760746 1065872527 /nfs/dbraw/zinc/87/25/27/1065872527.db2.gz SDZJTFVKJMWSER-BDNPHABPSA-N 0 0 454.517 4.845 20 0 JJADRN O=C(c1ccccc1OC(F)F)N1CCC[C@H](C(=O)N2CCC[C@H]2/C=C/c2ccccc2)C1 ZINC001439760749 1065872670 /nfs/dbraw/zinc/87/26/70/1065872670.db2.gz SDZJTFVKJMWSER-WDMDMOOOSA-N 0 0 454.517 4.845 20 0 JJADRN O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001439772540 1065873590 /nfs/dbraw/zinc/87/35/90/1065873590.db2.gz NGBHIUMKYFWNOW-AWEZNQCLSA-N 0 0 455.395 4.790 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)CCCOc3cccc(Cl)c3Cl)cc21 ZINC001439775502 1065873711 /nfs/dbraw/zinc/87/37/11/1065873711.db2.gz OESXLOBYYANVFM-UHFFFAOYSA-N 0 0 451.350 4.717 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CC=CCC1 ZINC001360774654 1065873769 /nfs/dbraw/zinc/87/37/69/1065873769.db2.gz SFUNQVDCLUVZGH-GBESFXJTSA-N 0 0 481.538 4.986 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360774535 1065874030 /nfs/dbraw/zinc/87/40/30/1065874030.db2.gz OBUQMAXOSAIYAF-UGXKVIGPSA-N 0 0 478.634 4.568 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360774534 1065874109 /nfs/dbraw/zinc/87/41/09/1065874109.db2.gz OBUQMAXOSAIYAF-RGVPCPSESA-N 0 0 478.634 4.568 20 0 JJADRN CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 ZINC001439776967 1065874202 /nfs/dbraw/zinc/87/42/02/1065874202.db2.gz ZIUOGISXHYUQNX-FQEVSTJZSA-N 0 0 459.384 4.894 20 0 JJADRN CC(C)(C)OCc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 ZINC001439776972 1065874400 /nfs/dbraw/zinc/87/44/00/1065874400.db2.gz ZIUOGISXHYUQNX-HXUWFJFHSA-N 0 0 459.384 4.894 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(C)(C)O)CC1 ZINC001360774801 1065874601 /nfs/dbraw/zinc/87/46/01/1065874601.db2.gz TZSGPOJCLBMJEW-MOPGFXCFSA-N 0 0 487.645 4.663 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCc1cccs1 ZINC001360774812 1065874634 /nfs/dbraw/zinc/87/46/34/1065874634.db2.gz UBDOCLZEQSDICO-SJORKVTESA-N 0 0 497.562 4.934 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCCC3(CCC3)O2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439778317 1065874804 /nfs/dbraw/zinc/87/48/04/1065874804.db2.gz OBZBXCNJVVRQSF-XGHQBKJUSA-N 0 0 450.982 4.775 20 0 JJADRN Cc1noc(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001439778573 1065874821 /nfs/dbraw/zinc/87/48/21/1065874821.db2.gz YITGVYPNYLDUIF-IBGZPJMESA-N 0 0 459.333 4.519 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)Cc1cc(F)ccc1F ZINC001439779079 1065875661 /nfs/dbraw/zinc/87/56/61/1065875661.db2.gz PZINJMLXBSWLMU-FQEVSTJZSA-N 0 0 455.286 4.736 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3cc(Br)c(F)cc3C2)cn1 ZINC001439784935 1065876243 /nfs/dbraw/zinc/87/62/43/1065876243.db2.gz AZCYUJLTSXUSMN-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CC(C)COc1cc(NC(=O)c2cc(F)ccc2N2CCOCC2)ccc1Br ZINC001439787306 1065876306 /nfs/dbraw/zinc/87/63/06/1065876306.db2.gz IXFWXPALJQXLQS-UHFFFAOYSA-N 0 0 451.336 4.712 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360775176 1065876808 /nfs/dbraw/zinc/87/68/08/1065876808.db2.gz YSQWYQGWZZKJFZ-ZJOUEHCJSA-N 0 0 495.590 4.540 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)c(OCC(C)C)c1 ZINC001439788635 1065877293 /nfs/dbraw/zinc/87/72/93/1065877293.db2.gz KPCLNSRZDHNSMK-VNOAQLAMSA-N 0 0 455.418 4.680 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C(=O)OC(C)(C)C)c1 ZINC001439788717 1065877382 /nfs/dbraw/zinc/87/73/82/1065877382.db2.gz KSZYYILAJULKTN-MHTWAQMVSA-N 0 0 456.380 4.842 20 0 JJADRN Cc1cccc([C@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001439790565 1065877946 /nfs/dbraw/zinc/87/79/46/1065877946.db2.gz OYICSROBWYDBSO-QHCPKHFHSA-N 0 0 454.567 4.591 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360775571 1065878546 /nfs/dbraw/zinc/87/85/46/1065878546.db2.gz WGVRCBMWYLITNJ-OALUTQOASA-N 0 0 471.621 4.879 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001360775624 1065878709 /nfs/dbraw/zinc/87/87/09/1065878709.db2.gz WXPSFIKCULBMLS-FXAWDEMLSA-N 0 0 499.553 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2c(F)ccc(Br)c2F)C1 ZINC001439793487 1065878567 /nfs/dbraw/zinc/87/85/67/1065878567.db2.gz IRFWRYMCEPWSOV-VIFPVBQESA-N 0 0 455.246 4.558 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2c(F)ccc(Br)c2F)c1 ZINC001439795724 1065879295 /nfs/dbraw/zinc/87/92/95/1065879295.db2.gz ONYZHZXCFVVKEB-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1OCCC1(C)C ZINC001360775707 1065879362 /nfs/dbraw/zinc/87/93/62/1065879362.db2.gz YLJAJHLWLFLBLU-TXPKVOOTSA-N 0 0 452.521 4.854 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360775730 1065879375 /nfs/dbraw/zinc/87/93/75/1065879375.db2.gz YZIIIVHCLKWCID-DLBZAZTESA-N 0 0 470.536 4.970 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001439797285 1065879412 /nfs/dbraw/zinc/87/94/12/1065879412.db2.gz FGESWEVMFOULRH-OAHLLOKOSA-N 0 0 457.695 4.755 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(I)c(Cl)c2)c1 ZINC001439796335 1065879443 /nfs/dbraw/zinc/87/94/43/1065879443.db2.gz BTJARLCOLPYLDZ-GXTWGEPZSA-N 0 0 457.695 4.704 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCn4c(cnc4C(F)(F)F)C3)s2)cc1 ZINC001439799663 1065879907 /nfs/dbraw/zinc/87/99/07/1065879907.db2.gz PPVUEBGTCANXRL-UHFFFAOYSA-N 0 0 450.486 4.643 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cnn3cccc(Br)c23)cc1 ZINC001360776149 1065879969 /nfs/dbraw/zinc/87/99/69/1065879969.db2.gz BVFJMEYGZDJSTD-UHFFFAOYSA-N 0 0 450.336 4.995 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)s2)cc1 ZINC001360776272 1065880091 /nfs/dbraw/zinc/88/00/91/1065880091.db2.gz LKYLAKSWQUBVDC-SFHVURJKSA-N 0 0 455.967 4.706 20 0 JJADRN COc1cccc(-c2cc(C(=O)Nc3ccc(I)c(Cl)c3)on2)c1 ZINC001439802032 1065880665 /nfs/dbraw/zinc/88/06/65/1065880665.db2.gz XIRQJUALRZBVIL-UHFFFAOYSA-N 0 0 454.651 4.861 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cc(OC(F)(F)F)ccc1Br)N1CCCCC1=O ZINC001439803179 1065880770 /nfs/dbraw/zinc/88/07/70/1065880770.db2.gz ZTCCMHCTSZVZFU-OAHLLOKOSA-N 0 0 451.283 4.713 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001360776942 1065880751 /nfs/dbraw/zinc/88/07/51/1065880751.db2.gz NMGQORZNBKLIFQ-SANMLTNESA-N 0 0 451.567 4.779 20 0 JJADRN COCCOCCOc1ccc(NC(=O)c2ccc3cc(C)ccc3n2)cc1Br ZINC001439819879 1065882469 /nfs/dbraw/zinc/88/24/69/1065882469.db2.gz DVOGFLBAYWSOTK-UHFFFAOYSA-N 0 0 459.340 4.600 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1CCCC(C)(C)C ZINC001360777818 1065882608 /nfs/dbraw/zinc/88/26/08/1065882608.db2.gz GHOSKFNWLPBMLT-MHPIHPPYSA-N 0 0 460.594 4.768 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC001439825706 1065882801 /nfs/dbraw/zinc/88/28/01/1065882801.db2.gz MSJQGEVFNLYIIB-CABCVRRESA-N 0 0 451.350 4.647 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@](C)(O)c1ccco1 ZINC001360777930 1065883375 /nfs/dbraw/zinc/88/33/75/1065883375.db2.gz HVVVHIVFQDOJDO-NXLNFEJXSA-N 0 0 482.478 4.693 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1 ZINC001439828301 1065883759 /nfs/dbraw/zinc/88/37/59/1065883759.db2.gz WWFYEUWQQPZBEY-ZDUSSCGKSA-N 0 0 451.748 4.602 20 0 JJADRN CC1(CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCC2(CC1)OCCO2 ZINC001439827964 1065883823 /nfs/dbraw/zinc/88/38/23/1065883823.db2.gz IXWLQUICVNEXLC-UHFFFAOYSA-N 0 0 454.258 4.660 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H]1CCCOC1 ZINC001360778123 1065883866 /nfs/dbraw/zinc/88/38/66/1065883866.db2.gz KULBDDPOBLLAKZ-OSWQYVSFSA-N 0 0 460.594 4.625 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(Br)nc(Br)c2)C2CCC2)cc1 ZINC001439832039 1065884193 /nfs/dbraw/zinc/88/41/93/1065884193.db2.gz HZWFEKKWPCWMKX-KRWDZBQOSA-N 0 0 454.162 4.886 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCOC(F)F ZINC001360778276 1065884360 /nfs/dbraw/zinc/88/43/60/1065884360.db2.gz NGQMVBAXVMEFCE-MWTRTKDXSA-N 0 0 470.536 4.828 20 0 JJADRN CC(C)[C@@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)c1cnn(C)c1 ZINC001439838918 1065885065 /nfs/dbraw/zinc/88/50/65/1065885065.db2.gz UQHMOIMKYIQRMX-OAHLLOKOSA-N 0 0 459.394 4.771 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C2CCC2)cc1 ZINC001439836193 1065885234 /nfs/dbraw/zinc/88/52/34/1065885234.db2.gz RQRWTWHHUJBJDU-GGAORHGYSA-N 0 0 456.970 4.619 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSCC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360778483 1065885081 /nfs/dbraw/zinc/88/50/81/1065885081.db2.gz QBPBINUVQNNHSM-HNNXBMFYSA-N 0 0 497.518 4.603 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCOC(C)(C)C ZINC001360778435 1065885184 /nfs/dbraw/zinc/88/51/84/1065885184.db2.gz PKYVXRLDBCREEY-QUCCMNQESA-N 0 0 460.594 4.625 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001360778682 1065885214 /nfs/dbraw/zinc/88/52/14/1065885214.db2.gz RFGPRSDEDKZBBN-ZWKOTPCHSA-N 0 0 493.649 4.804 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CCO1 ZINC001360779094 1065885811 /nfs/dbraw/zinc/88/58/11/1065885811.db2.gz VFFQLBWROUJFCQ-LAUBAEHRSA-N 0 0 489.979 4.546 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC001439844178 1065885824 /nfs/dbraw/zinc/88/58/24/1065885824.db2.gz QWYCTEGHMVNHLU-XHDPSFHLSA-N 0 0 451.224 4.527 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001439850265 1065886337 /nfs/dbraw/zinc/88/63/37/1065886337.db2.gz VGDDQHHXCQASEK-AWEZNQCLSA-N 0 0 456.848 4.738 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)c(OC(C)C)c1 ZINC001439847185 1065886459 /nfs/dbraw/zinc/88/64/59/1065886459.db2.gz TYGZTKXYSXBAML-IBGZPJMESA-N 0 0 454.567 4.762 20 0 JJADRN O=C(CCNC(=O)c1ccsc1)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC001360779679 1065887675 /nfs/dbraw/zinc/88/76/75/1065887675.db2.gz NYKVYNDBRNAMSO-UHFFFAOYSA-N 0 0 459.365 4.848 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3Br)ccc2s1 ZINC001439869554 1065887959 /nfs/dbraw/zinc/88/79/59/1065887959.db2.gz FPPLRPKRLIJJOC-JTQLQIEISA-N 0 0 452.301 4.996 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001439882061 1065888454 /nfs/dbraw/zinc/88/84/54/1065888454.db2.gz DFQSZAFHGFKUOP-AREMUKBSSA-N 0 0 456.567 4.769 20 0 JJADRN CCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC001439888915 1065888972 /nfs/dbraw/zinc/88/89/72/1065888972.db2.gz RIPCNDAJOMVAFH-XMMPIXPASA-N 0 0 455.562 4.726 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001360780489 1065889497 /nfs/dbraw/zinc/88/94/97/1065889497.db2.gz YDGBFFSGSKYXCY-UHFFFAOYSA-N 0 0 459.775 4.925 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(C(C)(C)C)nc2)nnn1Cc1cccc(Br)c1 ZINC001439897688 1065889780 /nfs/dbraw/zinc/88/97/80/1065889780.db2.gz QMQVBMUXKRDTJF-UHFFFAOYSA-N 0 0 456.388 4.986 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCn1cc(Cl)cn1 ZINC001360780707 1065889986 /nfs/dbraw/zinc/88/99/86/1065889986.db2.gz KKTNKGOOLVRYBX-OWCLPIDISA-N 0 0 482.938 4.835 20 0 JJADRN C[C@H](OCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780734 1065890201 /nfs/dbraw/zinc/89/02/01/1065890201.db2.gz KQWPYNFLDBGPMW-FPOVZHCZSA-N 0 0 480.613 4.545 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001439901679 1065890482 /nfs/dbraw/zinc/89/04/82/1065890482.db2.gz CHDLWYASFIOVKX-HNNXBMFYSA-N 0 0 456.329 4.850 20 0 JJADRN C[C@H](OCCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780911 1065890783 /nfs/dbraw/zinc/89/07/83/1065890783.db2.gz NGTSLBGIWRDDRH-CNNODRBYSA-N 0 0 469.630 4.673 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1cccc(Cl)c1 ZINC001439909099 1065891058 /nfs/dbraw/zinc/89/10/58/1065891058.db2.gz WFFJLFVEHJVHMT-QGZVFWFLSA-N 0 0 451.832 4.579 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)CC2=O)CC1 ZINC001439919731 1065891690 /nfs/dbraw/zinc/89/16/90/1065891690.db2.gz RADIODGXUXJYBG-WBTXTPOCSA-N 0 0 457.615 4.812 20 0 JJADRN CC[C@H](C(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001439917775 1065891798 /nfs/dbraw/zinc/89/17/98/1065891798.db2.gz GFOBRIAMIXEZQS-NRJQMVOHSA-N 0 0 451.405 4.849 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCc1ccccn1 ZINC001360781157 1065891865 /nfs/dbraw/zinc/89/18/65/1065891865.db2.gz SHDXENCJWIUVHR-FGTMMUONSA-N 0 0 459.516 4.922 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001439921143 1065892369 /nfs/dbraw/zinc/89/23/69/1065892369.db2.gz VOJFYBNWBCOOKN-UHFFFAOYSA-N 0 0 451.567 4.976 20 0 JJADRN C[C@@H](OCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccccc1 ZINC001360781398 1065892582 /nfs/dbraw/zinc/89/25/82/1065892582.db2.gz YHDMUTVGODLQMI-OAQYLSRUSA-N 0 0 480.632 4.895 20 0 JJADRN C[C@@H](OCCCn1c([C@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC001360781433 1065892734 /nfs/dbraw/zinc/89/27/34/1065892734.db2.gz YXHFJIMUFFSPHA-MJGOQNOKSA-N 0 0 450.505 4.649 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)C23CC(C2)CN3C(=O)OC(C)(C)C)cc1 ZINC001439926546 1065893027 /nfs/dbraw/zinc/89/30/27/1065893027.db2.gz YNFBVQNLCPLSBD-UHFFFAOYSA-N 0 0 459.587 4.784 20 0 JJADRN Cc1ccc(C2(C(=O)Nc3ccc(=O)n(Cc4ccc(Cl)cc4)c3)CCOCC2)cc1C ZINC001439923524 1065893094 /nfs/dbraw/zinc/89/30/94/1065893094.db2.gz AWMAKCOZUSBBDX-UHFFFAOYSA-N 0 0 450.966 4.854 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)(C)C)nn2)CC1 ZINC001360782827 1065894084 /nfs/dbraw/zinc/89/40/84/1065894084.db2.gz SSSZCSITAAUNQE-YPAWHYETSA-N 0 0 450.627 4.903 20 0 JJADRN 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KNFRALXHNVQVCM-UHFFFAOYSA-N 0 0 490.610 4.611 20 0 JJADRN O=C(COc1ccc(F)cc1Br)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001439999537 1065901212 /nfs/dbraw/zinc/90/12/12/1065901212.db2.gz LAOPRETYBHBWHY-UHFFFAOYSA-N 0 0 454.723 4.742 20 0 JJADRN Cc1c(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cnn1-c1ccc(Cl)cc1 ZINC001440003945 1065901741 /nfs/dbraw/zinc/90/17/41/1065901741.db2.gz RSQNJAHIVQSBGM-UHFFFAOYSA-N 0 0 453.329 4.950 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)[C@@H]1c1cccc(Cl)c1 ZINC001440005219 1065901770 /nfs/dbraw/zinc/90/17/70/1065901770.db2.gz ZUESLAGJZOSVHQ-KNQAVFIVSA-N 0 0 459.373 4.634 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(NC(=O)COc3ccccc3OCC(F)(F)F)cc12 ZINC001440003244 1065901871 /nfs/dbraw/zinc/90/18/71/1065901871.db2.gz GVJFFPJOYLSUOS-UHFFFAOYSA-N 0 0 456.424 4.688 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)c3cc4ccccc4cc3OC)[nH]c2c(Br)c1 ZINC001440014657 1065902390 /nfs/dbraw/zinc/90/23/90/1065902390.db2.gz AEJKZDPXUKDWHT-UHFFFAOYSA-N 0 0 454.280 4.526 20 0 JJADRN 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4.564 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCN(C)c2ccc(Br)cc21 ZINC001440051857 1065907002 /nfs/dbraw/zinc/90/70/02/1065907002.db2.gz NUROHSMJFCEJMP-UHFFFAOYSA-N 0 0 454.459 4.988 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC001360792836 1065907719 /nfs/dbraw/zinc/90/77/19/1065907719.db2.gz BMPKOQSHNHSQCQ-UHFFFAOYSA-N 0 0 456.886 4.827 20 0 JJADRN CC[C@@H]1CN(C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793832 1065908099 /nfs/dbraw/zinc/90/80/99/1065908099.db2.gz OJMHNKNXMQXHHU-HKTKGDTJSA-N 0 0 454.611 4.810 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N2CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC2)c1 ZINC001440064668 1065908260 /nfs/dbraw/zinc/90/82/60/1065908260.db2.gz MSDIUSGJCQNEFF-QHCPKHFHSA-N 0 0 455.599 4.534 20 0 JJADRN Cc1cc(OCC(=O)N2CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC2)ccc1Cl ZINC001440066731 1065908297 /nfs/dbraw/zinc/90/82/97/1065908297.db2.gz RXWCQIXJMIVIDF-OAQYLSRUSA-N 0 0 451.007 4.911 20 0 JJADRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC001360794466 1065908607 /nfs/dbraw/zinc/90/86/07/1065908607.db2.gz WKLFJDJKWZRZDI-ZEQRLZLVSA-N 0 0 450.579 4.592 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC001360794465 1065908768 /nfs/dbraw/zinc/90/87/68/1065908768.db2.gz WKLFJDJKWZRZDI-RPWUZVMVSA-N 0 0 450.579 4.592 20 0 JJADRN O=C(N[C@H]1CCc2ncc(Br)n2C1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001440071359 1065908966 /nfs/dbraw/zinc/90/89/66/1065908966.db2.gz ZIQNKDXAZDWFSC-ZDUSSCGKSA-N 0 0 454.246 4.669 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCOc3c(F)cccc32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794804 1065909121 /nfs/dbraw/zinc/90/91/21/1065909121.db2.gz ZDGAEMUZAZREQY-TUNNFDKTSA-N 0 0 454.542 4.730 20 0 JJADRN C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 ZINC001360795139 1065909728 /nfs/dbraw/zinc/90/97/28/1065909728.db2.gz ZEIZFJFPUYPDBF-YCRPNKLZSA-N 0 0 496.400 4.625 20 0 JJADRN C[C@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cccc(C(=O)c2ccccc2)c1 ZINC001440077805 1065910005 /nfs/dbraw/zinc/91/00/05/1065910005.db2.gz LTTQVHYYAMUTQX-AMAALNMCSA-N 0 0 462.590 4.927 20 0 JJADRN Cc1cc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c2cc(Br)ccc2n1 ZINC001360799536 1065910687 /nfs/dbraw/zinc/91/06/87/1065910687.db2.gz GLSPANYYTXHABY-UHFFFAOYSA-N 0 0 454.368 4.699 20 0 JJADRN Cc1cc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c2ccc(Br)cc2n1 ZINC001360799416 1065910766 /nfs/dbraw/zinc/91/07/66/1065910766.db2.gz FDHIOGPSELPRPJ-UHFFFAOYSA-N 0 0 454.368 4.699 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001440098792 1065911185 /nfs/dbraw/zinc/91/11/85/1065911185.db2.gz XLJKDYGAOGHUOV-WDJPJFJCSA-N 0 0 452.595 4.501 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001440092623 1065911266 /nfs/dbraw/zinc/91/12/66/1065911266.db2.gz ROINQLRGFTUGIK-FQEVSTJZSA-N 0 0 455.480 4.707 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n2)cc1F ZINC001440097549 1065911324 /nfs/dbraw/zinc/91/13/24/1065911324.db2.gz BCEFZKSEQKDHFA-UHFFFAOYSA-N 0 0 454.502 4.780 20 0 JJADRN O=C(Nc1c(Br)cnn1C1CC1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001440094013 1065911337 /nfs/dbraw/zinc/91/13/37/1065911337.db2.gz VXPVBGKCGWVCKP-UHFFFAOYSA-N 0 0 455.234 4.722 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CCOC)c3ccccc32)cc1 ZINC001440099515 1065911831 /nfs/dbraw/zinc/91/18/31/1065911831.db2.gz GFFSNRRSGLDRQG-FQEVSTJZSA-N 0 0 458.624 4.668 20 0 JJADRN CC(C)(C)c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CC(C)(C)C1 ZINC001360801339 1065912166 /nfs/dbraw/zinc/91/21/66/1065912166.db2.gz ALJQQLZBRWJXNZ-QGZVFWFLSA-N 0 0 459.038 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccnn2CCc2ccccc2)C1 ZINC001440107914 1065912552 /nfs/dbraw/zinc/91/25/52/1065912552.db2.gz AKNLPZBUOJDVGC-AREMUKBSSA-N 0 0 452.599 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccnn2CCc2ccccc2)C1 ZINC001440107921 1065912669 /nfs/dbraw/zinc/91/26/69/1065912669.db2.gz AKNLPZBUOJDVGC-SANMLTNESA-N 0 0 452.599 4.522 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1coc(-c2cccnc2)n1)C(F)(F)F ZINC001440110923 1065912749 /nfs/dbraw/zinc/91/27/49/1065912749.db2.gz FZJCOESEYJWBEE-SFHVURJKSA-N 0 0 455.440 4.615 20 0 JJADRN CC1(C)CC(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001360801962 1065913197 /nfs/dbraw/zinc/91/31/97/1065913197.db2.gz TZVWYJFJIXAPHZ-UHFFFAOYSA-N 0 0 471.454 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccn(CCc3ccccc3)n2)C1 ZINC001440113187 1065913176 /nfs/dbraw/zinc/91/31/76/1065913176.db2.gz IESZINFRNWQBGC-AREMUKBSSA-N 0 0 452.599 4.522 20 0 JJADRN CC1(C)CC(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001360801840 1065913225 /nfs/dbraw/zinc/91/32/25/1065913225.db2.gz PXFSVCGIIZJQPK-FQEVSTJZSA-N 0 0 466.548 4.884 20 0 JJADRN CC1(C)C[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360801907 1065913236 /nfs/dbraw/zinc/91/32/36/1065913236.db2.gz RRFFYDKJZBFIDO-AWEZNQCLSA-N 0 0 479.419 4.953 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(OC)cc2OC)cc1OC ZINC001440121781 1065913895 /nfs/dbraw/zinc/91/38/95/1065913895.db2.gz PNGFIMCGLKLSHB-CYBMUJFWSA-N 0 0 452.345 4.755 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360802736 1065914378 /nfs/dbraw/zinc/91/43/78/1065914378.db2.gz MLNGMHCEAKAEOO-HXUWFJFHSA-N 0 0 491.480 4.526 20 0 JJADRN NC(=O)NC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1 ZINC001440136989 1065914402 /nfs/dbraw/zinc/91/44/02/1065914402.db2.gz IJQFWGUQNJMNRM-UHFFFAOYSA-N 0 0 458.301 4.633 20 0 JJADRN CN(CCc1ccccc1C(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001440139476 1065915053 /nfs/dbraw/zinc/91/50/53/1065915053.db2.gz GNMRMMYBPZZRTO-UHFFFAOYSA-N 0 0 452.473 4.925 20 0 JJADRN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 ZINC001360804060 1065915422 /nfs/dbraw/zinc/91/54/22/1065915422.db2.gz LYVOXWVQPPXDPR-UHFFFAOYSA-N 0 0 457.379 4.540 20 0 JJADRN COC(=O)[C@]1(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC[C@@H](C)c2ccccc21 ZINC001440140615 1065915507 /nfs/dbraw/zinc/91/55/07/1065915507.db2.gz BEVINBFINXSAHQ-RIJOHQFPSA-N 0 0 456.380 4.809 20 0 JJADRN Cn1cc(-c2csc(NC(=O)C(=O)c3ccc(Cl)s3)c2C(=O)OC(C)(C)C)cn1 ZINC001440142077 1065915531 /nfs/dbraw/zinc/91/55/31/1065915531.db2.gz OVVXKHSIBQXLKM-UHFFFAOYSA-N 0 0 451.957 4.640 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C(N)=O)CCCC2)C1 ZINC001360804878 1065915768 /nfs/dbraw/zinc/91/57/68/1065915768.db2.gz APRKJYUAXDMYPL-UHFFFAOYSA-N 0 0 478.410 4.519 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001440144122 1065916580 /nfs/dbraw/zinc/91/65/80/1065916580.db2.gz FISTWYKRRCWURT-PXNSSMCTSA-N 0 0 453.652 4.786 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCS(C)(=O)=O)C1 ZINC001360805283 1065916756 /nfs/dbraw/zinc/91/67/56/1065916756.db2.gz NJFIACRXNFFDBI-UHFFFAOYSA-N 0 0 497.086 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001440151483 1065917304 /nfs/dbraw/zinc/91/73/04/1065917304.db2.gz LCYJWQWQPBAUGA-RYQLBKOJSA-N 0 0 456.505 4.842 20 0 JJADRN CSc1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)ccc1Br ZINC001440150224 1065917320 /nfs/dbraw/zinc/91/73/20/1065917320.db2.gz JMELSMJPSDZNSE-CQSZACIVSA-N 0 0 457.434 4.938 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)NCC2CC2)C1 ZINC001360805637 1065917816 /nfs/dbraw/zinc/91/78/16/1065917816.db2.gz VYQZRXVFRBZHFW-UHFFFAOYSA-N 0 0 480.838 4.514 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001360805685 1065917902 /nfs/dbraw/zinc/91/79/02/1065917902.db2.gz WZDRDLKFFKMNFH-SFHVURJKSA-N 0 0 455.569 4.657 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)c21 ZINC001440156505 1065918102 /nfs/dbraw/zinc/91/81/02/1065918102.db2.gz VXVRWFNFSZZCRH-QGZVFWFLSA-N 0 0 458.603 4.555 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCO[C@H](c3ccccc3)CC2)nnc1-c1ccccc1 ZINC001440161576 1065918394 /nfs/dbraw/zinc/91/83/94/1065918394.db2.gz ZKVVAQIHCGKZOZ-KNQAVFIVSA-N 0 0 450.608 4.998 20 0 JJADRN Cc1cc(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)ccc1-n1cccn1 ZINC001440166311 1065919063 /nfs/dbraw/zinc/91/90/63/1065919063.db2.gz YNSYTPKCWPGQFC-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN Cc1noc2nc(C(C)C)cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)COCC4)c12 ZINC001440169361 1065919447 /nfs/dbraw/zinc/91/94/47/1065919447.db2.gz IKQVORGSBNTMAA-UHFFFAOYSA-N 0 0 457.552 4.996 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C2CC2)n1 ZINC001360807570 1065919430 /nfs/dbraw/zinc/91/94/30/1065919430.db2.gz RPOCPFNSGVUYTH-UHFFFAOYSA-N 0 0 452.960 4.826 20 0 JJADRN O=C(NCc1cccc(OCC(F)F)c1)c1ccc(OC(F)(F)F)cc1Br ZINC001360807076 1065919490 /nfs/dbraw/zinc/91/94/90/1065919490.db2.gz YIIAZGCZCSVMNH-UHFFFAOYSA-N 0 0 454.189 4.922 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C2CC2)n1 ZINC001360807605 1065919548 /nfs/dbraw/zinc/91/95/48/1065919548.db2.gz SVBNTUCHGPTYMA-UHFFFAOYSA-N 0 0 454.552 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccccc3F)nnc2N2CCCC(C)(C)C2)C1 ZINC001360807970 1065919968 /nfs/dbraw/zinc/91/99/68/1065919968.db2.gz DYPKSRGGKIEFOE-UHFFFAOYSA-N 0 0 457.594 4.501 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1 ZINC001440171160 1065920150 /nfs/dbraw/zinc/92/01/50/1065920150.db2.gz IRUMOXABPYFJEU-SFHVURJKSA-N 0 0 454.571 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CSCCS2)C1 ZINC001360807844 1065920225 /nfs/dbraw/zinc/92/02/25/1065920225.db2.gz BANCXVUACKZHOE-FGTMMUONSA-N 0 0 481.732 4.524 20 0 JJADRN CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001360808396 1065921337 /nfs/dbraw/zinc/92/13/37/1065921337.db2.gz OBNAOSNHFZWYJB-UHFFFAOYSA-N 0 0 493.555 4.685 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@H](Cc1ccccc1)c1ccccn1 ZINC001440179653 1065921528 /nfs/dbraw/zinc/92/15/28/1065921528.db2.gz DICUONMBVRTBKN-QFIPXVFZSA-N 0 0 456.542 4.580 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccccc3F)n2Cc2cccnc2OCC(F)F)C1 ZINC001360808386 1065921590 /nfs/dbraw/zinc/92/15/90/1065921590.db2.gz NSMRFGXSMAFRJU-UHFFFAOYSA-N 0 0 475.515 4.710 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Br)c(Cl)c1F ZINC001440180796 1065921984 /nfs/dbraw/zinc/92/19/84/1065921984.db2.gz KCEARVMUSZTNRC-UHFFFAOYSA-N 0 0 453.617 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2OC(F)F)CC1 ZINC001440182104 1065922013 /nfs/dbraw/zinc/92/20/13/1065922013.db2.gz NZYKVRZYAOULEY-UHFFFAOYSA-N 0 0 452.420 4.692 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001440183481 1065922495 /nfs/dbraw/zinc/92/24/95/1065922495.db2.gz VSZOLHHPYQLKGK-QGZVFWFLSA-N 0 0 458.521 4.691 20 0 JJADRN Cc1sc(NC(=O)c2cc(I)c(C)cc2C)nc1Br ZINC001440189049 1065922573 /nfs/dbraw/zinc/92/25/73/1065922573.db2.gz HPXGFNKVZHHNGU-UHFFFAOYSA-N 0 0 451.127 4.688 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC(C)(C)C1 ZINC001360808951 1065922631 /nfs/dbraw/zinc/92/26/31/1065922631.db2.gz YGBWKOWYNLXSQF-RTBURBONSA-N 0 0 463.667 4.738 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCCC(C)(C)C1 ZINC001360808865 1065922660 /nfs/dbraw/zinc/92/26/60/1065922660.db2.gz WNTQKQNEGWXIPC-UHFFFAOYSA-N 0 0 461.582 4.537 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCC(=O)N2CCC[C@H](C)C2)cc1C ZINC001440197673 1065922985 /nfs/dbraw/zinc/92/29/85/1065922985.db2.gz JWTHBTBCZDJPGV-FQEVSTJZSA-N 0 0 458.606 4.594 20 0 JJADRN CCCc1c(C(=O)NCCc2cc(OC)cc(OC)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001440192259 1065923064 /nfs/dbraw/zinc/92/30/64/1065923064.db2.gz SXKDIDONNSHVNY-UHFFFAOYSA-N 0 0 450.583 4.507 20 0 JJADRN O=C(Cc1cc(Br)cc(I)c1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC001440191241 1065923234 /nfs/dbraw/zinc/92/32/34/1065923234.db2.gz XVAYTCNFPOGUBF-YOEHRIQHSA-N 0 0 476.196 4.929 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001440200277 1065923626 /nfs/dbraw/zinc/92/36/26/1065923626.db2.gz DOUISESVRZCOMR-IBGZPJMESA-N 0 0 456.388 4.791 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC001440201879 1065923646 /nfs/dbraw/zinc/92/36/46/1065923646.db2.gz ABSHQDIRKZWQGA-NRFANRHFSA-N 0 0 452.599 4.533 20 0 JJADRN Cc1noc2ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C(F)(F)F)cc3)cc12 ZINC001360810481 1065923822 /nfs/dbraw/zinc/92/38/22/1065923822.db2.gz RQUKBJDQGIRCSV-MRXNPFEDSA-N 0 0 450.417 4.755 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360810960 1065924335 /nfs/dbraw/zinc/92/43/35/1065924335.db2.gz AOVOJXSQFMWMJH-UHFFFAOYSA-N 0 0 499.450 4.583 20 0 JJADRN CC(C)C[C@@H](NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1cccc(C(F)(F)F)c1 ZINC001360811930 1065924646 /nfs/dbraw/zinc/92/46/46/1065924646.db2.gz MIADROLAFHNDOT-BLLLJJGKSA-N 0 0 459.559 4.574 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(C(F)(F)F)c1 ZINC001360811974 1065924841 /nfs/dbraw/zinc/92/48/41/1065924841.db2.gz OBWJQHQORNCDTF-HXUWFJFHSA-N 0 0 454.514 4.663 20 0 JJADRN CN(CC[C@H]1CCCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1)C(=O)OC(C)(C)C ZINC001440224513 1065925111 /nfs/dbraw/zinc/92/51/11/1065925111.db2.gz DQLGQEAABWETDA-GOSISDBHSA-N 0 0 451.011 4.587 20 0 JJADRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3I)c3c2CCC3)cc1 ZINC001440225267 1065925261 /nfs/dbraw/zinc/92/52/61/1065925261.db2.gz GTAUABYKFIXVEH-UHFFFAOYSA-N 0 0 457.315 4.835 20 0 JJADRN CC1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360812171 1065925278 /nfs/dbraw/zinc/92/52/78/1065925278.db2.gz DJBMTRHMVOPDFY-UHFFFAOYSA-N 0 0 479.478 4.759 20 0 JJADRN CC1(C)CCCN1c1nnc(Cc2ccncc2)n1CCc1cc(Br)ccc1F ZINC001360812817 1065925741 /nfs/dbraw/zinc/92/57/41/1065925741.db2.gz UQYZPABGGRUBAL-UHFFFAOYSA-N 0 0 458.379 4.787 20 0 JJADRN CC1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[C@@H]1CCCCO1 ZINC001360812708 1065925802 /nfs/dbraw/zinc/92/58/02/1065925802.db2.gz PSLCWNYWQCKGSO-SFHVURJKSA-N 0 0 463.420 4.958 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c1)C2 ZINC001440234103 1065925752 /nfs/dbraw/zinc/92/57/52/1065925752.db2.gz MTSZZJQHKOHYNN-BGYRXZFFSA-N 0 0 454.636 4.675 20 0 JJADRN Cn1nccc1C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001440252901 1065926313 /nfs/dbraw/zinc/92/63/13/1065926313.db2.gz GTTALVDMUNKYJX-NRFANRHFSA-N 0 0 457.361 4.827 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Oc1cc(Br)ccc1Br)c1ccc(C)cc1 ZINC001440275654 1065927292 /nfs/dbraw/zinc/92/72/92/1065927292.db2.gz MPSSTDVAUFUXHP-INIZCTEOSA-N 0 0 455.146 4.693 20 0 JJADRN CC(C)(C)n1ncnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(C)CC1 ZINC001360814332 1065927354 /nfs/dbraw/zinc/92/73/54/1065927354.db2.gz RXMPJCFKXNDAEL-UHFFFAOYSA-N 0 0 490.425 4.868 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)NC[C@@H](CC)Cc3cccc(Br)c3)CC2=O)cc1 ZINC001360814358 1065927515 /nfs/dbraw/zinc/92/75/15/1065927515.db2.gz FHSFJCBCOLPCQH-ICSRJNTNSA-N 0 0 457.412 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)CCC[C@@H]12 ZINC001440279162 1065927453 /nfs/dbraw/zinc/92/74/53/1065927453.db2.gz YSIKEDBUSBQQOD-DVECYGJZSA-N 0 0 476.042 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001440283293 1065927843 /nfs/dbraw/zinc/92/78/43/1065927843.db2.gz VBWXPFRBROZNMX-BPUGDSSMSA-N 0 0 458.599 4.649 20 0 JJADRN CC[C@@H](CNC(=O)CSC(=S)N1CCC(C)CC1)Cc1cccc(Br)c1 ZINC001360814994 1065927928 /nfs/dbraw/zinc/92/79/28/1065927928.db2.gz PAZGKDLSGQEUJN-MRXNPFEDSA-N 0 0 457.503 4.884 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001440283295 1065927942 /nfs/dbraw/zinc/92/79/42/1065927942.db2.gz VBWXPFRBROZNMX-KKPNIWNPSA-N 0 0 458.599 4.649 20 0 JJADRN CC[C@H](CNC(=O)c1cccc(S(=O)(=O)C(C)C)c1)Cc1cccc(Br)c1 ZINC001360815023 1065928018 /nfs/dbraw/zinc/92/80/18/1065928018.db2.gz PKBBFDGHKLPFRQ-INIZCTEOSA-N 0 0 452.414 4.630 20 0 JJADRN CCCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1 ZINC001440290120 1065928321 /nfs/dbraw/zinc/92/83/21/1065928321.db2.gz HOCJBYBVXHJCAP-UHFFFAOYSA-N 0 0 452.979 4.957 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)cs2)c1 ZINC001440294875 1065928526 /nfs/dbraw/zinc/92/85/26/1065928526.db2.gz HQOTVUNPVDDSJY-HSZRJFAPSA-N 0 0 459.537 4.984 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2cnc(C)c(C(=O)OC)c2)cc1Br ZINC001440295671 1065928656 /nfs/dbraw/zinc/92/86/56/1065928656.db2.gz XHIVDDYFHDTESN-UHFFFAOYSA-N 0 0 456.134 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C)(C)CC2)n1CC1CCCCC1 ZINC001360816108 1065928939 /nfs/dbraw/zinc/92/89/39/1065928939.db2.gz SRIJXWKUYDFXTE-FQEVSTJZSA-N 0 0 461.651 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C)(C)CC3)n2CCc2ccc(O)cc2)CC1 ZINC001360815844 1065928999 /nfs/dbraw/zinc/92/89/99/1065928999.db2.gz LWJYWVFVDUHXOA-UHFFFAOYSA-N 0 0 483.657 4.967 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001440297928 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NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc3cccc(Br)c32)c1 ZINC001440814101 1065980438 /nfs/dbraw/zinc/98/04/38/1065980438.db2.gz DLCGOMSLTFCTBY-UHFFFAOYSA-N 0 0 452.352 4.944 20 0 JJADRN O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cc(=O)[nH]cc1Br ZINC001440820172 1065980914 /nfs/dbraw/zinc/98/09/14/1065980914.db2.gz UVSGRTCYLASLBZ-UHFFFAOYSA-N 0 0 456.365 4.973 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC001360862560 1065981330 /nfs/dbraw/zinc/98/13/30/1065981330.db2.gz BRIIDPRDZROKEA-SECBINFHSA-N 0 0 451.358 4.655 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)n2)cc(Cl)c1OC ZINC001360863421 1065981751 /nfs/dbraw/zinc/98/17/51/1065981751.db2.gz SQFNHEIMRFCCRO-PBHICJAKSA-N 0 0 459.930 4.933 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2c(O)cnc3c(Br)cccc32)cc1)c1ccco1 ZINC001440826342 1065981951 /nfs/dbraw/zinc/98/19/51/1065981951.db2.gz PLMIODJSBIQHJG-UHFFFAOYSA-N 0 0 452.264 4.801 20 0 JJADRN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001440829815 1065982489 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BMGUKYNHBMDFIY-UHFFFAOYSA-N 0 0 455.921 4.936 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC2(O)CCOCC2)c1C ZINC001360865434 1065984234 /nfs/dbraw/zinc/98/42/34/1065984234.db2.gz BFQCGXONRJOELE-VLCRHTCISA-N 0 0 456.631 4.591 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001440862551 1065984218 /nfs/dbraw/zinc/98/42/18/1065984218.db2.gz BUUJXKWPZOBFCQ-UHFFFAOYSA-N 0 0 453.783 4.909 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1C ZINC001360865461 1065984864 /nfs/dbraw/zinc/98/48/64/1065984864.db2.gz BUWKQRXAGZESAZ-FQEVSTJZSA-N 0 0 459.635 4.994 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1F ZINC001440866849 1065985263 /nfs/dbraw/zinc/98/52/63/1065985263.db2.gz OFKXNSTYOJARCA-FQEVSTJZSA-N 0 0 458.534 4.837 20 0 JJADRN CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)oc2Cl)c2cccs2)cc1 ZINC001440868644 1065985671 /nfs/dbraw/zinc/98/56/71/1065985671.db2.gz YABQIRYGOFVBEH-KZULUSFZSA-N 0 0 452.985 4.675 20 0 JJADRN CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)oc2Cl)c2cccs2)cc1 ZINC001440868642 1065985682 /nfs/dbraw/zinc/98/56/82/1065985682.db2.gz YABQIRYGOFVBEH-KPZWWZAWSA-N 0 0 452.985 4.675 20 0 JJADRN Cn1cccc1[C@@H]1CCCCCN1C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440868147 1065985697 /nfs/dbraw/zinc/98/56/97/1065985697.db2.gz QLBCKFJXURZFAE-LAUBAEHRSA-N 0 0 451.514 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001440869304 1065986265 /nfs/dbraw/zinc/98/62/65/1065986265.db2.gz AXIALZJXIYCNHV-QFIPXVFZSA-N 0 0 458.002 4.640 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)c1nccn1C ZINC001440871407 1065987017 /nfs/dbraw/zinc/98/70/17/1065987017.db2.gz IYZQVOHWTXDWIE-NRFANRHFSA-N 0 0 450.539 4.604 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360866047 1065987016 /nfs/dbraw/zinc/98/70/16/1065987016.db2.gz MCMAXGGPAFFQKK-QTGUNEKASA-N 0 0 465.646 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC(C)(C)C(F)(F)F)c1C ZINC001360866194 1065988220 /nfs/dbraw/zinc/98/82/20/1065988220.db2.gz OJGPVFNTKAMZJH-QGZVFWFLSA-N 0 0 469.552 4.584 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(C)CCCC2)c1C ZINC001360866301 1065988448 /nfs/dbraw/zinc/98/84/48/1065988448.db2.gz QLPFOZNTOAOAOW-PWRODBHTSA-N 0 0 476.687 4.873 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2noc3c2CCCC3)c1C ZINC001360866383 1065988533 /nfs/dbraw/zinc/98/85/33/1065988533.db2.gz RVXZHHKGIXJKSK-INIZCTEOSA-N 0 0 463.504 4.949 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC(=O)NC(C)(C)C)sc1C ZINC001360866411 1065988664 /nfs/dbraw/zinc/98/86/64/1065988664.db2.gz SLCDCKAXBBOZHC-GOSISDBHSA-N 0 0 484.670 4.507 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC001440881063 1065988681 /nfs/dbraw/zinc/98/86/81/1065988681.db2.gz JOKLQZTYMLHWKP-SFHVURJKSA-N 0 0 450.379 4.562 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545936488 1065989928 /nfs/dbraw/zinc/98/99/28/1065989928.db2.gz MSARCTSHLJWIAN-UHFFFAOYSA-N 0 0 497.684 4.709 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cc(C(F)F)ncn1 ZINC001360867006 1065990776 /nfs/dbraw/zinc/99/07/76/1065990776.db2.gz GOCSKBGNIISITG-UHFFFAOYSA-N 0 0 458.266 4.827 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2SCC=C(C)C)ccc1Cl ZINC001360867009 1065990917 /nfs/dbraw/zinc/99/09/17/1065990917.db2.gz GVCVSTSNRPRIRJ-UHFFFAOYSA-N 0 0 455.001 4.833 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CCC[C@H]2C)c1C ZINC001360868337 1065991646 /nfs/dbraw/zinc/99/16/46/1065991646.db2.gz BRGDWKALLCAXNM-CDMIOBSGSA-N 0 0 454.537 4.975 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCCO2)c1C ZINC001360868364 1065991790 /nfs/dbraw/zinc/99/17/90/1065991790.db2.gz CHICVQDWPOPGTD-RBBKRZOGSA-N 0 0 464.614 4.764 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCOCC3)n2CCC(=O)N2CCCCCC2)c1C ZINC001360868505 1065992150 /nfs/dbraw/zinc/99/21/50/1065992150.db2.gz GIRTYHUCBBAOFE-QHCPKHFHSA-N 0 0 497.684 4.690 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)c(F)cc1N ZINC001440899472 1065992382 /nfs/dbraw/zinc/99/23/82/1065992382.db2.gz PUMGTZXKSBLLFC-UHFFFAOYSA-N 0 0 452.505 4.847 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)nc1C ZINC001440899350 1065992418 /nfs/dbraw/zinc/99/24/18/1065992418.db2.gz YQECAKXTMKCNFY-QFIPXVFZSA-N 0 0 457.530 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001440899318 1065992578 /nfs/dbraw/zinc/99/25/78/1065992578.db2.gz MLTPPAXRQKSQSX-PMACEKPBSA-N 0 0 456.543 4.623 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1C ZINC001360868603 1065992659 /nfs/dbraw/zinc/99/26/59/1065992659.db2.gz IOGHYNOHPRFHHQ-PXNSSMCTSA-N 0 0 498.628 4.820 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccon3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1C ZINC001360868605 1065992670 /nfs/dbraw/zinc/99/26/70/1065992670.db2.gz IOGHYNOHPRFHHQ-YLJYHZDGSA-N 0 0 498.628 4.820 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001440902139 1065992869 /nfs/dbraw/zinc/99/28/69/1065992869.db2.gz YOUQZRUJLIHPTB-LLVKDONJSA-N 0 0 457.699 4.598 20 0 JJADRN CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3cc(C)ccc3C)CC2)cc1 ZINC001440904513 1065993381 /nfs/dbraw/zinc/99/33/81/1065993381.db2.gz SSLHRDALBDAJDM-UHFFFAOYSA-N 0 0 454.570 4.695 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2CCCC(F)(F)F)c1C ZINC001360868766 1065993904 /nfs/dbraw/zinc/99/39/04/1065993904.db2.gz JSHXAVMUCUREMO-GOSISDBHSA-N 0 0 450.509 4.710 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)c1C ZINC001360868742 1065993942 /nfs/dbraw/zinc/99/39/42/1065993942.db2.gz BIIVTXCHFISMQE-MDNUFGMLSA-N 0 0 469.674 4.628 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCc2cnn(C)n2)c1C ZINC001360868747 1065993981 /nfs/dbraw/zinc/99/39/81/1065993981.db2.gz BKROYKMLJZNCDC-OAQYLSRUSA-N 0 0 477.657 4.979 20 0 JJADRN COc1ccc(Cl)cc1CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001440920111 1065994062 /nfs/dbraw/zinc/99/40/62/1065994062.db2.gz JNIGSCNIXZJMDH-QHCPKHFHSA-N 0 0 452.938 4.975 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440922408 1065994392 /nfs/dbraw/zinc/99/43/92/1065994392.db2.gz OVTADFMVNHOTIF-IOJOKMQUSA-N 0 0 456.951 4.605 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360868955 1065994479 /nfs/dbraw/zinc/99/44/79/1065994479.db2.gz CVIATFVLMYWILD-YQQAZPJKSA-N 0 0 458.550 4.902 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCn3cccn3)n2CCc2ccsc2)c1C ZINC001360868845 1065994489 /nfs/dbraw/zinc/99/44/89/1065994489.db2.gz KRBNIDMXFUGUDA-FQEVSTJZSA-N 0 0 450.612 4.672 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cscn3)n2CCN(C)CC(F)(F)F)c1C ZINC001360868852 1065994542 /nfs/dbraw/zinc/99/45/42/1065994542.db2.gz KTSLWQFPQXHLLI-QGZVFWFLSA-N 0 0 482.576 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)nc2C1 ZINC001440925615 1065994762 /nfs/dbraw/zinc/99/47/62/1065994762.db2.gz UROIAGMSPDCGMF-UHFFFAOYSA-N 0 0 450.564 4.674 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)CCC(C)C)c1C ZINC001360868944 1065994872 /nfs/dbraw/zinc/99/48/72/1065994872.db2.gz CUKYZOJHAMOBPL-AIFZUELHSA-N 0 0 458.647 4.836 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360868961 1065995053 /nfs/dbraw/zinc/99/50/53/1065995053.db2.gz CWSXFEFECFANFI-UNMCSNQZSA-N 0 0 497.684 4.830 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360868953 1065995061 /nfs/dbraw/zinc/99/50/61/1065995061.db2.gz CVIATFVLMYWILD-HLLBOEOZSA-N 0 0 458.550 4.902 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCCOc1ccc(C)cc1 ZINC001440925520 1065994959 /nfs/dbraw/zinc/99/49/59/1065994959.db2.gz LXZHARAMICXBMP-UHFFFAOYSA-N 0 0 459.612 4.683 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360868978 1065995426 /nfs/dbraw/zinc/99/54/26/1065995426.db2.gz LNFYUJHXXNTXKZ-CEWLAPEOSA-N 0 0 469.655 4.985 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@H](Oc3ccc(Cl)cc3C)c3ccccc3)CC2)cs1 ZINC001440940014 1065995949 /nfs/dbraw/zinc/99/59/49/1065995949.db2.gz MLRIPJAXBGNRSQ-HSZRJFAPSA-N 0 0 456.011 4.878 20 0 JJADRN CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C(C)C)cc1 ZINC001440947487 1065996395 /nfs/dbraw/zinc/99/63/95/1065996395.db2.gz SCHNBPVUEDMFFE-BXKMTCNYSA-N 0 0 458.624 4.777 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCCS(C)(=O)=O)n2CC2CCC(F)(F)CC2)c1C ZINC001360869277 1065997084 /nfs/dbraw/zinc/99/70/84/1065997084.db2.gz NMPMNDFZKGBCCD-LJQANCHMSA-N 0 0 498.640 4.731 20 0 JJADRN CCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccc(C)cc3)C2=O)cnn1C(CC)CC ZINC001440966197 1065997220 /nfs/dbraw/zinc/99/72/20/1065997220.db2.gz HMJIBLSQBLVLSO-STZFKDTASA-N 0 0 454.596 4.581 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CCO[C@H](c3ccccc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001440967428 1065997463 /nfs/dbraw/zinc/99/74/63/1065997463.db2.gz LZMGDUHNWXNMDF-PMACEKPBSA-N 0 0 459.974 4.599 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3nccs3)n2CCn2cc(Cl)cn2)c1C ZINC001360869406 1065997523 /nfs/dbraw/zinc/99/75/23/1065997523.db2.gz OPUQIOBEJDTBOI-KRWDZBQOSA-N 0 0 472.018 4.678 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360869503 1065998159 /nfs/dbraw/zinc/99/81/59/1065998159.db2.gz HZACRLJQWKOEAD-WOJBJXKFSA-N 0 0 498.640 4.731 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1ccc(F)c(F)c1 ZINC001440973490 1065998171 /nfs/dbraw/zinc/99/81/71/1065998171.db2.gz WLPQLHPJBUHOIB-PXNMLYILSA-N 0 0 457.285 4.738 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCC[C@H](O)C2)c1C ZINC001360869581 1065998577 /nfs/dbraw/zinc/99/85/77/1065998577.db2.gz ITVUXEGTPFTQNU-FSSWDIPSSA-N 0 0 458.647 4.837 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CSCCS2)c1C ZINC001360869698 1065998611 /nfs/dbraw/zinc/99/86/11/1065998611.db2.gz QIJURHZTGAIGGM-PZJWPPBQSA-N 0 0 469.680 4.915 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869761 1065999071 /nfs/dbraw/zinc/99/90/71/1065999071.db2.gz RDMMHNWEYVIJAW-SFTDATJTSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC2CCOCC2)c1C ZINC001360869775 1065999270 /nfs/dbraw/zinc/99/92/70/1065999270.db2.gz JVPMOGSOISMNST-SFHVURJKSA-N 0 0 494.558 4.809 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC2=CCCCC2)c1C ZINC001360869795 1065999646 /nfs/dbraw/zinc/99/96/46/1065999646.db2.gz KCEVUYFNFDDIEV-TZIWHRDSSA-N 0 0 451.615 4.592 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC(C)C)C(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)c1C ZINC001360869855 1065999749 /nfs/dbraw/zinc/99/97/49/1065999749.db2.gz KYQGRWMOQYBHBB-JIPXPUAJSA-N 0 0 467.658 4.917 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CC(F)C3)n2Cc2ccc(N(C)C)nc2)c1C ZINC001360869948 1066000267 /nfs/dbraw/zinc/00/02/67/1066000267.db2.gz STSKYAHOPDUJHJ-JSRJAPPDSA-N 0 0 466.605 4.729 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCC(=O)N2CCCCC2)c1C ZINC001360869895 1066000334 /nfs/dbraw/zinc/00/03/34/1066000334.db2.gz RSSXOHUEMDTNFZ-OAQYLSRUSA-N 0 0 453.631 4.674 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360870004 1066000386 /nfs/dbraw/zinc/00/03/86/1066000386.db2.gz LPSQRRKQNIDNBH-HOYKHHGWSA-N 0 0 496.574 4.790 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCO[C@H](C)C2)c1C ZINC001360870017 1066000630 /nfs/dbraw/zinc/00/06/30/1066000630.db2.gz LWOKETGPPDIRRZ-FQVVGKCUSA-N 0 0 456.631 4.854 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCCCC2(F)F)c1C ZINC001360870192 1066001247 /nfs/dbraw/zinc/00/12/47/1066001247.db2.gz NGQZZJYXDATVCO-DFQSSKMNSA-N 0 0 475.584 4.527 20 0 JJADRN Cc1ccc([C@@H]2CCCN2C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC001441017992 1066001296 /nfs/dbraw/zinc/00/12/96/1066001296.db2.gz WMYJVWJRPMKDOG-UNMCSNQZSA-N 0 0 453.587 4.526 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCN3CCOCC3)n2CC(C)(C)c2cccs2)c1C ZINC001360870270 1066001618 /nfs/dbraw/zinc/00/16/18/1066001618.db2.gz WEYJKOAEZCYOHI-QFIPXVFZSA-N 0 0 497.709 4.843 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441027621 1066001741 /nfs/dbraw/zinc/00/17/41/1066001741.db2.gz NFLGPMDPHRTAPF-FDDCHVKYSA-N 0 0 456.583 4.954 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360870276 1066002017 /nfs/dbraw/zinc/00/20/17/1066002017.db2.gz OBUGFAZGVNPCQQ-HXUWFJFHSA-N 0 0 485.673 4.734 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC001441030671 1066002052 /nfs/dbraw/zinc/00/20/52/1066002052.db2.gz SNEWALLAQLVNQJ-UHFFFAOYSA-N 0 0 459.999 4.992 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC001441033825 1066002235 /nfs/dbraw/zinc/00/22/35/1066002235.db2.gz RVQPDQODCDJDBX-DEOSSOPVSA-N 0 0 458.558 4.676 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360870506 1066002512 /nfs/dbraw/zinc/00/25/12/1066002512.db2.gz XVGOTWSWAKBMEC-HXUWFJFHSA-N 0 0 480.613 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H]2C[C@@H]2C)c1C ZINC001360870442 1066002551 /nfs/dbraw/zinc/00/25/51/1066002551.db2.gz PKKLRRUPELZXEW-WPYKKVEZSA-N 0 0 467.658 4.774 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCCOC(C)C)c1C ZINC001360870671 1066002818 /nfs/dbraw/zinc/00/28/18/1066002818.db2.gz PSBOQAGFVDEWQC-XZOQPEGZSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CCOC[C@@H]2C)c1C ZINC001360870541 1066002862 /nfs/dbraw/zinc/00/28/62/1066002862.db2.gz YBFAOAHJTALMAK-XKCSPQBFSA-N 0 0 486.657 4.543 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC001360870658 1066002934 /nfs/dbraw/zinc/00/29/34/1066002934.db2.gz CXCXJZQCMMSXFL-JTQLQIEISA-N 0 0 451.759 4.571 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CC(C)C)C3CCCC3)n2CCn2cncn2)c1C ZINC001360870700 1066003233 /nfs/dbraw/zinc/00/32/33/1066003233.db2.gz PXOGDSGZCIDFRV-NRFANRHFSA-N 0 0 451.619 4.732 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360870685 1066003298 /nfs/dbraw/zinc/00/32/98/1066003298.db2.gz PVGKYRLRIJRLRY-GGAORHGYSA-N 0 0 481.641 4.764 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCNC(=O)c2ccco2)c1C ZINC001360870807 1066003891 /nfs/dbraw/zinc/00/38/91/1066003891.db2.gz ZTTJIBYPTMGESJ-FGZHOGPDSA-N 0 0 477.609 4.850 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)Nc1ccccc1 ZINC001441049927 1066003853 /nfs/dbraw/zinc/00/38/53/1066003853.db2.gz KYXAJIFNEMAPCQ-QGZVFWFLSA-N 0 0 456.518 4.905 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Br)c1)Nc1ccccc1 ZINC001441049064 1066003947 /nfs/dbraw/zinc/00/39/47/1066003947.db2.gz ISQLVRDQPXCZFY-GOSISDBHSA-N 0 0 450.764 4.919 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1ccc(Nc2nccs2)cc1F)Nc1ccccc1 ZINC001441053802 1066004253 /nfs/dbraw/zinc/00/42/53/1066004253.db2.gz WCEINZVNGNNCCE-GOSISDBHSA-N 0 0 453.543 4.842 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N(Cc3cccs3)C3CC3)c2)c1 ZINC001441057670 1066004772 /nfs/dbraw/zinc/00/47/72/1066004772.db2.gz YORXSQRMVBCUCY-UHFFFAOYSA-N 0 0 452.532 4.528 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)c1C ZINC001360871482 1066005275 /nfs/dbraw/zinc/00/52/75/1066005275.db2.gz XPCZLDIZXHKBCE-FYYLOGMGSA-N 0 0 488.698 4.875 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc2c(c1)N(C)CCO2 ZINC001441066052 1066005217 /nfs/dbraw/zinc/00/52/17/1066005217.db2.gz FNRBMCDTXSTSHA-UHFFFAOYSA-N 0 0 452.576 4.827 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1(C)C ZINC001441062801 1066005297 /nfs/dbraw/zinc/00/52/97/1066005297.db2.gz CRJPUJBPNSKZEL-DJKDLEHESA-N 0 0 456.530 4.564 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC2CCCC2)c1C ZINC001360871528 1066005546 /nfs/dbraw/zinc/00/55/46/1066005546.db2.gz XYPJPWODVVYTPI-FPOVZHCZSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCCCO2)c1C ZINC001360871504 1066005555 /nfs/dbraw/zinc/00/55/55/1066005555.db2.gz XVCRBFGJFWNOCG-LEWJYISDSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCNC(=O)C(C)C)c1C ZINC001360871760 1066005824 /nfs/dbraw/zinc/00/58/24/1066005824.db2.gz ZYXJKLDXLAHRAG-LJQANCHMSA-N 0 0 493.574 4.896 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1Br ZINC001441081423 1066006009 /nfs/dbraw/zinc/00/60/09/1066006009.db2.gz ROULNCSRUBMVAY-QGZVFWFLSA-N 0 0 457.137 4.873 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC1CCC(F)(F)CC1 ZINC001545938004 1066006048 /nfs/dbraw/zinc/00/60/48/1066006048.db2.gz HDPLKLIQGRJLQO-GOSISDBHSA-N 0 0 457.635 4.600 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1OCC ZINC001360872201 1066006267 /nfs/dbraw/zinc/00/62/67/1066006267.db2.gz KBVPFDIKZXYKAC-NRFANRHFSA-N 0 0 454.567 4.825 20 0 JJADRN Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC001360872199 1066006420 /nfs/dbraw/zinc/00/64/20/1066006420.db2.gz JZPCWZYQZMPIFZ-UHFFFAOYSA-N 0 0 454.514 4.761 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1ccc(O[C@@H]3CCOC3)cc1)N2C(=O)OC(C)(C)C ZINC001360871939 1066006458 /nfs/dbraw/zinc/00/64/58/1066006458.db2.gz AQJMZKCJCBAENX-XMSQKQJNSA-N 0 0 456.514 4.607 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC001441087723 1066006671 /nfs/dbraw/zinc/00/66/71/1066006671.db2.gz HJXWPUXRJUXDLN-UHFFFAOYSA-N 0 0 454.335 4.835 20 0 JJADRN O=C(Nc1ccc(C(=O)N(CCO)Cc2ccccc2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001441093576 1066007018 /nfs/dbraw/zinc/00/70/18/1066007018.db2.gz IYXUFQUYXCUDIF-UHFFFAOYSA-N 0 0 459.329 4.586 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360872923 1066007441 /nfs/dbraw/zinc/00/74/41/1066007441.db2.gz CGJPXZAAPUUQCR-GOTSBHOMSA-N 0 0 470.658 4.839 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C ZINC001441106087 1066007801 /nfs/dbraw/zinc/00/78/01/1066007801.db2.gz BNCVHZMCPHWSSH-UHFFFAOYSA-N 0 0 454.954 4.525 20 0 JJADRN O=C(CC(F)(F)C(F)(F)F)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441106067 1066007838 /nfs/dbraw/zinc/00/78/38/1066007838.db2.gz BHYIUKULWZQWFQ-UHFFFAOYSA-N 0 0 451.819 4.828 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@@](C)(O)C2CCCCC2)c1C ZINC001360873041 1066008091 /nfs/dbraw/zinc/00/80/91/1066008091.db2.gz BOJTUAWDIWBXDC-AJFLCOCNSA-N 0 0 470.658 4.981 20 0 JJADRN COc1ccc(/C=C/C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC001441109261 1066008392 /nfs/dbraw/zinc/00/83/92/1066008392.db2.gz OIQAYUSBPOATCQ-SDNWHVSQSA-N 0 0 451.950 4.962 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cn4ccnn4)CC3)n2CCCC(C)C)c1C ZINC001360873271 1066008348 /nfs/dbraw/zinc/00/83/48/1066008348.db2.gz GDYHGFZGJIZNMV-QFIPXVFZSA-N 0 0 465.646 4.979 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 ZINC001441116237 1066008823 /nfs/dbraw/zinc/00/88/23/1066008823.db2.gz HAWHXEYEIHCFFR-HXUWFJFHSA-N 0 0 453.480 4.861 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC4(CC4)C3)n2CCCCCS(C)(=O)=O)c1C ZINC001360873422 1066008930 /nfs/dbraw/zinc/00/89/30/1066008930.db2.gz DWXNAOUHSVUDEA-NRFANRHFSA-N 0 0 474.671 4.630 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001441129805 1066009640 /nfs/dbraw/zinc/00/96/40/1066009640.db2.gz NAZDPTNKKTZWOR-UHFFFAOYSA-N 0 0 456.999 4.867 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2=CCCCC2)c1C ZINC001360873636 1066010210 /nfs/dbraw/zinc/01/02/10/1066010210.db2.gz HGXQSTYJJIZKBN-RBBKRZOGSA-N 0 0 451.615 4.627 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@]2(O)CCSC2)c1C ZINC001360873713 1066010347 /nfs/dbraw/zinc/01/03/47/1066010347.db2.gz JVPMBDNXHJTDFC-DMJCMNNJSA-N 0 0 458.672 4.775 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2Cc2cccnc2OCC(F)F)c1C ZINC001360873705 1066010394 /nfs/dbraw/zinc/01/03/94/1066010394.db2.gz JSFPHTVMEFMMIE-QGZVFWFLSA-N 0 0 493.505 4.968 20 0 JJADRN C[C@H]1CN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CO1 ZINC001441147688 1066010636 /nfs/dbraw/zinc/01/06/36/1066010636.db2.gz IMCQIBIQYCQZIN-OALUTQOASA-N 0 0 450.579 4.720 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)CCCC(=O)c2ccc(Br)cc2)ccc1Cl ZINC001441170316 1066011124 /nfs/dbraw/zinc/01/11/24/1066011124.db2.gz JTSAQGPXIXPTFX-UHFFFAOYSA-N 0 0 451.748 4.796 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](C)CN2CCOCC2)c1C ZINC001360873966 1066011332 /nfs/dbraw/zinc/01/13/32/1066011332.db2.gz IVLRUSBSOJQYNZ-AGILITTLSA-N 0 0 469.674 4.628 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC001441174215 1066011640 /nfs/dbraw/zinc/01/16/40/1066011640.db2.gz UDKXQHINSMCZDJ-UHFFFAOYSA-N 0 0 457.785 4.769 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCCOC2)c1C ZINC001360874214 1066012363 /nfs/dbraw/zinc/01/23/63/1066012363.db2.gz KWRLBSYRELZESA-LEWJYISDSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC2(C(C)C)CC2)c1C ZINC001360874294 1066012773 /nfs/dbraw/zinc/01/27/73/1066012773.db2.gz NTNMLSOHAZNTIS-FQEVSTJZSA-N 0 0 453.631 4.563 20 0 JJADRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001441187728 1066012932 /nfs/dbraw/zinc/01/29/32/1066012932.db2.gz NRWRYSPDLIXANA-UHFFFAOYSA-N 0 0 453.945 4.823 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc1 ZINC001441186612 1066013172 /nfs/dbraw/zinc/01/31/72/1066013172.db2.gz LXWGXFLLQNMHDF-UHFFFAOYSA-N 0 0 459.377 4.742 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1C ZINC001360874305 1066013090 /nfs/dbraw/zinc/01/30/90/1066013090.db2.gz OAHNMGVCNAJXSJ-UZLBHIALSA-N 0 0 492.451 4.849 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874391 1066013457 /nfs/dbraw/zinc/01/34/57/1066013457.db2.gz MECCOZUSFNHMTQ-TZIWHRDSSA-N 0 0 499.656 4.517 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H]2CCCCS2(=O)=O)c1C ZINC001360874436 1066013817 /nfs/dbraw/zinc/01/38/17/1066013817.db2.gz MUMMPOZINPZWIB-YPAWHYETSA-N 0 0 474.671 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c2ccccc21 ZINC001441192171 1066013924 /nfs/dbraw/zinc/01/39/24/1066013924.db2.gz XINZSXYTQPKARO-NRFANRHFSA-N 0 0 458.518 4.811 20 0 JJADRN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC001441191047 1066014001 /nfs/dbraw/zinc/01/40/01/1066014001.db2.gz CANCRIHNLBLFCJ-BENRWUELSA-N 0 0 453.558 4.645 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(Cl)cc1Cl ZINC001441191107 1066014022 /nfs/dbraw/zinc/01/40/22/1066014022.db2.gz CFQLJGZKOYSSRY-LBPRGKRZSA-N 0 0 453.347 4.558 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(Cl)cc1Cl ZINC001441191104 1066014090 /nfs/dbraw/zinc/01/40/90/1066014090.db2.gz CFQLJGZKOYSSRY-GFCCVEGCSA-N 0 0 453.347 4.558 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(-c3ccccc3)cc1F)C2=O ZINC001441199956 1066014677 /nfs/dbraw/zinc/01/46/77/1066014677.db2.gz LVWVJNAISOFLKD-UHFFFAOYSA-N 0 0 451.542 4.958 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360874815 1066015394 /nfs/dbraw/zinc/01/53/94/1066015394.db2.gz URNPMMCXZAQTAL-SFTDATJTSA-N 0 0 478.584 4.714 20 0 JJADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001441223864 1066016164 /nfs/dbraw/zinc/01/61/64/1066016164.db2.gz MJVUDEWTOGDRNI-WOJBJXKFSA-N 0 0 458.580 4.551 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC=C(Br)C3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360875080 1066016357 /nfs/dbraw/zinc/01/63/57/1066016357.db2.gz PXCVBFZCQLNCSN-SJLPKXTDSA-N 0 0 497.384 4.948 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2([S@@](C)=O)CCC2)c1C ZINC001360875122 1066016858 /nfs/dbraw/zinc/01/68/58/1066016858.db2.gz QOSZIVZOGYRIOE-SQQYVQODSA-N 0 0 480.625 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001545939447 1066016970 /nfs/dbraw/zinc/01/69/70/1066016970.db2.gz BQEIKZPVWJVOHU-RTBURBONSA-N 0 0 496.681 4.733 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CCCSC2)c1C ZINC001360875220 1066017212 /nfs/dbraw/zinc/01/72/12/1066017212.db2.gz XSXPBIHZOJLSFN-GMAHTHKFSA-N 0 0 499.725 4.873 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OCC4CC4)CC3)n2CCNC(=O)C(C)(C)C)c1C ZINC001360875372 1066017470 /nfs/dbraw/zinc/01/74/70/1066017470.db2.gz YMFQPNVVZULPLT-NRFANRHFSA-N 0 0 497.684 4.593 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360875391 1066017956 /nfs/dbraw/zinc/01/79/56/1066017956.db2.gz YXBLFKLCENZNBL-XSDIEEQYSA-N 0 0 487.620 4.916 20 0 JJADRN COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3n2)cc1NC(=O)OC(C)(C)C ZINC001441238187 1066018064 /nfs/dbraw/zinc/01/80/64/1066018064.db2.gz FIWKWLNHILQNKO-UHFFFAOYSA-N 0 0 456.568 4.870 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)ccc1OC(C)C ZINC001441237935 1066018085 /nfs/dbraw/zinc/01/80/85/1066018085.db2.gz DKTSZWZNXVBXET-KRWDZBQOSA-N 0 0 450.539 4.829 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@]4(C3)CCCOC4)n2CCCOC(C)C)c1C ZINC001360875571 1066018702 /nfs/dbraw/zinc/01/87/02/1066018702.db2.gz VQPFVQHVAIQUOZ-NVQXNPDNSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cccn2)c1C ZINC001360875776 1066019519 /nfs/dbraw/zinc/01/95/19/1066019519.db2.gz YQNHSHYWSVYJPN-PMACEKPBSA-N 0 0 458.557 4.803 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1NC(=O)OC(C)(C)C ZINC001441249388 1066020321 /nfs/dbraw/zinc/02/03/21/1066020321.db2.gz UTWFCOYCBKMDNK-UHFFFAOYSA-N 0 0 455.540 4.705 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 ZINC001360876413 1066020492 /nfs/dbraw/zinc/02/04/92/1066020492.db2.gz QIOVHBKGLZSENK-UHFFFAOYSA-N 0 0 451.485 4.963 20 0 JJADRN CN(C)C(=O)c1cccc(CNC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1 ZINC001441252971 1066021275 /nfs/dbraw/zinc/02/12/75/1066021275.db2.gz HZZKWOCMFBBCPF-QFIPXVFZSA-N 0 0 459.631 4.649 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC001441274355 1066021749 /nfs/dbraw/zinc/02/17/49/1066021749.db2.gz FFDQQIQEYULBEE-LJQANCHMSA-N 0 0 453.564 4.678 20 0 JJADRN COc1ccc(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc1OCc1cccnc1 ZINC001441271602 1066021804 /nfs/dbraw/zinc/02/18/04/1066021804.db2.gz BKYBKWWUZQUKHM-FQEVSTJZSA-N 0 0 457.571 4.889 20 0 JJADRN COc1ccc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cc1OCc1cccnc1 ZINC001441274701 1066021909 /nfs/dbraw/zinc/02/19/09/1066021909.db2.gz HAQCUUBSWSROHM-DEOSSOPVSA-N 0 0 451.910 4.844 20 0 JJADRN COc1cc(NC(=O)Cc2nc(C3CC3)cs2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441281959 1066022282 /nfs/dbraw/zinc/02/22/82/1066022282.db2.gz DSNWQGLJNCJPDL-GASCZTMLSA-N 0 0 457.596 4.622 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC2CCOCC2)c1C ZINC001360877403 1066023023 /nfs/dbraw/zinc/02/30/23/1066023023.db2.gz LADJZZCDDUVGGB-AZUAARDMSA-N 0 0 495.590 4.534 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@H](C)Cc3ccccc3Cl)cc2)CC1 ZINC001360877977 1066024448 /nfs/dbraw/zinc/02/44/48/1066024448.db2.gz PORFASLPABKNLV-QGZVFWFLSA-N 0 0 456.970 4.573 20 0 JJADRN NC(=O)C1CCN(c2cccc(NC(=O)CC(Cc3ccccc3)Cc3ccccc3)c2)CC1 ZINC001360877914 1066024550 /nfs/dbraw/zinc/02/45/50/1066024550.db2.gz MPBCDVPFQXECCS-UHFFFAOYSA-N 0 0 455.602 4.819 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)NCc1cccnc1OC1CCCC1)N2C(=O)OC(C)(C)C ZINC001441310183 1066024754 /nfs/dbraw/zinc/02/47/54/1066024754.db2.gz LYAORKQFLUZAKW-QFIPXVFZSA-N 0 0 451.567 4.694 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCOC[C@H]1C(F)(F)F ZINC001360878180 1066024908 /nfs/dbraw/zinc/02/49/08/1066024908.db2.gz ULJPVEDAMQVRAJ-ZDUSSCGKSA-N 0 0 450.841 4.505 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2CCCCC2)c1C ZINC001360878211 1066024938 /nfs/dbraw/zinc/02/49/38/1066024938.db2.gz SAYZTUPYXXYVNV-JOCHJYFZSA-N 0 0 467.658 4.920 20 0 JJADRN O=C(Nc1cccnc1Oc1ccccc1)c1ccnc(Cl)c1I ZINC001441313102 1066025480 /nfs/dbraw/zinc/02/54/80/1066025480.db2.gz CMGAYNIHDYWLLY-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CC[C@H](C)C2)c1C ZINC001360878454 1066025798 /nfs/dbraw/zinc/02/57/98/1066025798.db2.gz VKPLQMDHAPCJIB-IOMROCGXSA-N 0 0 461.601 4.858 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CC[C@@H](C)C2)c1C ZINC001360878455 1066025955 /nfs/dbraw/zinc/02/59/55/1066025955.db2.gz VKPLQMDHAPCJIB-UIFIKXQLSA-N 0 0 461.601 4.858 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1Br ZINC001441314810 1066025945 /nfs/dbraw/zinc/02/59/45/1066025945.db2.gz SQCXRMUJWITNPL-AWEZNQCLSA-N 0 0 454.320 4.885 20 0 JJADRN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC001441316991 1066026103 /nfs/dbraw/zinc/02/61/03/1066026103.db2.gz WUVFATSYOVFPJG-WOJBJXKFSA-N 0 0 456.633 4.691 20 0 JJADRN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001441316966 1066026258 /nfs/dbraw/zinc/02/62/58/1066026258.db2.gz WUVFATSYOVFPJG-PMACEKPBSA-N 0 0 456.633 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545940183 1066026671 /nfs/dbraw/zinc/02/66/71/1066026671.db2.gz TWIBIFBHAUSIIP-REPLKXPHSA-N 0 0 465.708 4.512 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCOC(C)C)c1C ZINC001360878764 1066027053 /nfs/dbraw/zinc/02/70/53/1066027053.db2.gz ZUSHMZDPJGYCEJ-UXHICEINSA-N 0 0 483.579 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2cccc(COCc3ccco3)c2)CC[C@@H]1C1CC1 ZINC001441320051 1066027282 /nfs/dbraw/zinc/02/72/82/1066027282.db2.gz ZURKNXITDYXESG-DHIUTWEWSA-N 0 0 454.567 4.791 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@H]3C)n2CCn2cc(Cl)cn2)c1C ZINC001360878867 1066027812 /nfs/dbraw/zinc/02/78/12/1066027812.db2.gz BOOAECMAHYWRRR-AEFFLSMTSA-N 0 0 461.035 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1C ZINC001360879056 1066028199 /nfs/dbraw/zinc/02/81/99/1066028199.db2.gz FKFRUMLYSKACFX-WOJBJXKFSA-N 0 0 481.597 4.780 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCCOC2CCOCC2)c1C ZINC001360879058 1066028220 /nfs/dbraw/zinc/02/82/20/1066028220.db2.gz FLVFDOXDQUKZCC-FPOVZHCZSA-N 0 0 474.671 4.562 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2Cc2nccc(C(F)F)n2)c1C ZINC001360879081 1066028458 /nfs/dbraw/zinc/02/84/58/1066028458.db2.gz FUSXBDINTDPFGC-DOTOQJQBSA-N 0 0 474.581 4.753 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 ZINC001360879064 1066028572 /nfs/dbraw/zinc/02/85/72/1066028572.db2.gz FMKGJMQGXVWKCT-UZLBHIALSA-N 0 0 455.628 4.997 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1CCSC(F)(F)F ZINC001545940309 1066028917 /nfs/dbraw/zinc/02/89/17/1066028917.db2.gz XDJSLORRESUIHT-UHFFFAOYSA-N 0 0 467.627 4.562 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001441326314 1066028930 /nfs/dbraw/zinc/02/89/30/1066028930.db2.gz JCGQUOGIDTWHLZ-ZVZYQTTQSA-N 0 0 455.393 4.816 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCCC(F)(F)F)c1C ZINC001360879143 1066028947 /nfs/dbraw/zinc/02/89/47/1066028947.db2.gz GZWJAWJFBLFDMD-DNVFCKCGSA-N 0 0 482.547 4.762 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCCC(C)C)c1C ZINC001360879387 1066029848 /nfs/dbraw/zinc/02/98/48/1066029848.db2.gz KMOIBQLCJSUVPX-AJTFRIOCSA-N 0 0 480.657 4.957 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360879350 1066030028 /nfs/dbraw/zinc/03/00/28/1066030028.db2.gz JTKYPNRSNTUNKY-SKCUWOTOSA-N 0 0 499.700 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360879348 1066030042 /nfs/dbraw/zinc/03/00/42/1066030042.db2.gz JTKYPNRSNTUNKY-DWACAAAGSA-N 0 0 499.700 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)C3)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360879399 1066030446 /nfs/dbraw/zinc/03/04/46/1066030446.db2.gz KPASQZCFEDUAGJ-PACVJBRTSA-N 0 0 464.701 4.524 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2CCOC(C)C)c1C ZINC001360879473 1066030461 /nfs/dbraw/zinc/03/04/61/1066030461.db2.gz LMYWMYASRWIBMA-RBBKRZOGSA-N 0 0 498.628 4.544 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441340933 1066030570 /nfs/dbraw/zinc/03/05/70/1066030570.db2.gz VGXJAUZVGRUUIN-DEOSSOPVSA-N 0 0 452.567 4.572 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360879494 1066030722 /nfs/dbraw/zinc/03/07/22/1066030722.db2.gz LSBNWYVXRSOYJQ-UXHICEINSA-N 0 0 480.625 4.819 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360879493 1066030765 /nfs/dbraw/zinc/03/07/65/1066030765.db2.gz LSBNWYVXRSOYJQ-PMACEKPBSA-N 0 0 480.625 4.819 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC001441345692 1066031323 /nfs/dbraw/zinc/03/13/23/1066031323.db2.gz ZZCVRKCRTCANQI-IBGZPJMESA-N 0 0 459.775 4.613 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCOc2ncccc2F)c1C ZINC001360879910 1066031887 /nfs/dbraw/zinc/03/18/87/1066031887.db2.gz RSXSUDRFZUKQRP-NZQKXSOJSA-N 0 0 483.588 4.509 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1C ZINC001360880148 1066032479 /nfs/dbraw/zinc/03/24/79/1066032479.db2.gz WZCQLRIZUKGSQZ-YPAWHYETSA-N 0 0 497.640 4.831 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)c1C ZINC001360880348 1066033262 /nfs/dbraw/zinc/03/32/62/1066033262.db2.gz ZTQYLNWEYVIVLO-NRDMVMEKSA-N 0 0 469.630 4.794 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1Cl ZINC001441360032 1066033751 /nfs/dbraw/zinc/03/37/51/1066033751.db2.gz MXMNEYWKODNTJT-AWEZNQCLSA-N 0 0 455.769 4.707 20 0 JJADRN O=C(NCCc1ccc(N2CCCCC2)cc1)c1cc(Br)cnc1OCC1CC1 ZINC001441359510 1066033949 /nfs/dbraw/zinc/03/39/49/1066033949.db2.gz HTZRPULQGNMSGI-UHFFFAOYSA-N 0 0 458.400 4.596 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCN(C)CC(F)(F)F)c1C ZINC001360881209 1066034128 /nfs/dbraw/zinc/03/41/28/1066034128.db2.gz HUWDSCFGZGXDBM-NEWSRXKRSA-N 0 0 471.543 4.713 20 0 JJADRN C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358926 1066034218 /nfs/dbraw/zinc/03/42/18/1066034218.db2.gz FCIDTXXWWBDWLC-KSFYIVLOSA-N 0 0 454.473 4.732 20 0 JJADRN CC(C)(NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccc(Br)cc1 ZINC001441361864 1066034620 /nfs/dbraw/zinc/03/46/20/1066034620.db2.gz PAHUIUAANGHSCT-UHFFFAOYSA-N 0 0 456.262 4.732 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360881640 1066034901 /nfs/dbraw/zinc/03/49/01/1066034901.db2.gz OYZXSBKOGLCETP-SVFBPWRDSA-N 0 0 491.627 4.925 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@](C)(O)C(C)C)c1C ZINC001360881588 1066034957 /nfs/dbraw/zinc/03/49/57/1066034957.db2.gz NVGIPANQKMSGHT-MONBJTKQSA-N 0 0 474.556 4.962 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCc2cc(Br)ccc21 ZINC001545941004 1066035050 /nfs/dbraw/zinc/03/50/50/1066035050.db2.gz YTTYJTSUMDJKLU-UHFFFAOYSA-N 0 0 453.027 4.971 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(COC3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC001360882337 1066035593 /nfs/dbraw/zinc/03/55/93/1066035593.db2.gz GOBHEKQFARYUKZ-UHFFFAOYSA-N 0 0 456.608 4.881 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)N1CCCC1 ZINC001360882248 1066035742 /nfs/dbraw/zinc/03/57/42/1066035742.db2.gz CGFHAIPHAMFPQT-SFHVURJKSA-N 0 0 453.608 4.896 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(N(C)CC(C)(C)C)nnc3[C@@]3(OC(C)C)CCOC3)cc2c1C ZINC001360882085 1066035800 /nfs/dbraw/zinc/03/58/00/1066035800.db2.gz XLFFJTCYHSCJOL-AREMUKBSSA-N 0 0 453.631 4.947 20 0 JJADRN Cc1cccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360882895 1066036034 /nfs/dbraw/zinc/03/60/34/1066036034.db2.gz CQQOMCBNXNGHRT-UHFFFAOYSA-N 0 0 455.404 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C(C)(C)C1 ZINC001441369128 1066036032 /nfs/dbraw/zinc/03/60/32/1066036032.db2.gz JLLHXBGLJJXWLR-LBPRGKRZSA-N 0 0 450.429 4.721 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)c(F)cc2N)cccc1-c1nnc2n1CCCCC2 ZINC001441368037 1066036044 /nfs/dbraw/zinc/03/60/44/1066036044.db2.gz GZCDQSLHHQNFBZ-UHFFFAOYSA-N 0 0 458.335 4.716 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)CC2)cc1 ZINC001441374926 1066036398 /nfs/dbraw/zinc/03/63/98/1066036398.db2.gz VNIXHXLQEPUROJ-UARRHKHWSA-N 0 0 468.638 4.856 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)CSc3nccn3-c3cccc(C)c3C)cc2)n1 ZINC001441372585 1066036412 /nfs/dbraw/zinc/03/64/12/1066036412.db2.gz OYBLFYGHFGOLDR-UHFFFAOYSA-N 0 0 459.619 4.743 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCCC2)CC1 ZINC001360883113 1066036700 /nfs/dbraw/zinc/03/67/00/1066036700.db2.gz JYQFIPWDZWJOOG-UHFFFAOYSA-N 0 0 462.436 4.942 20 0 JJADRN CC(C)(C)c1csc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC001441392002 1066036844 /nfs/dbraw/zinc/03/68/44/1066036844.db2.gz WDCSEJKRJDZTEN-UHFFFAOYSA-N 0 0 451.520 4.772 20 0 JJADRN CC1(C)COc2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)cc21 ZINC001441391717 1066037065 /nfs/dbraw/zinc/03/70/65/1066037065.db2.gz VKMFOTSPJIMXHC-UHFFFAOYSA-N 0 0 458.486 4.688 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(Br)c3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001360883639 1066037318 /nfs/dbraw/zinc/03/73/18/1066037318.db2.gz VVCQDLFXLZQFIA-UHFFFAOYSA-N 0 0 470.419 4.649 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC001360883914 1066037979 /nfs/dbraw/zinc/03/79/79/1066037979.db2.gz GIKFXHFZIIDJIO-VWLOTQADSA-N 0 0 451.544 4.917 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360883707 1066038003 /nfs/dbraw/zinc/03/80/03/1066038003.db2.gz WUJJZTQCAHRQCX-UHFFFAOYSA-N 0 0 473.419 4.926 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001441402234 1066038011 /nfs/dbraw/zinc/03/80/11/1066038011.db2.gz WOMWDBJMWBFFNO-UHFFFAOYSA-N 0 0 455.440 4.778 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC001441401622 1066038038 /nfs/dbraw/zinc/03/80/38/1066038038.db2.gz FLSIWSFRKOLNQK-HXUWFJFHSA-N 0 0 455.530 4.666 20 0 JJADRN CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001441406223 1066038275 /nfs/dbraw/zinc/03/82/75/1066038275.db2.gz LTJFLOVSJOJXHQ-UHFFFAOYSA-N 0 0 458.278 4.928 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(Cl)nc(N(C)C)c2)cc1 ZINC001360884097 1066038380 /nfs/dbraw/zinc/03/83/80/1066038380.db2.gz LWBWBVDTHXGCRE-UHFFFAOYSA-N 0 0 459.955 4.639 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)cc1 ZINC001360884067 1066038392 /nfs/dbraw/zinc/03/83/92/1066038392.db2.gz KRNZPLLMFXUZET-UHFFFAOYSA-N 0 0 459.564 4.723 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC001360884270 1066038465 /nfs/dbraw/zinc/03/84/65/1066038465.db2.gz PQSFLQVOAXSVJO-UHFFFAOYSA-N 0 0 452.576 4.910 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccncc2N2CCCC2)cc1 ZINC001360884511 1066038768 /nfs/dbraw/zinc/03/87/68/1066038768.db2.gz WJKWZYISEWSOHK-UHFFFAOYSA-N 0 0 451.548 4.520 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC001441407505 1066038940 /nfs/dbraw/zinc/03/89/40/1066038940.db2.gz UWQGSQDUJORWFX-UHFFFAOYSA-N 0 0 459.631 4.698 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001360884771 1066039069 /nfs/dbraw/zinc/03/90/69/1066039069.db2.gz GMLLQSIOUZBEDO-MRXNPFEDSA-N 0 0 467.433 4.511 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)CC1 ZINC001360884770 1066039238 /nfs/dbraw/zinc/03/92/38/1066039238.db2.gz GMLLQSIOUZBEDO-INIZCTEOSA-N 0 0 467.433 4.511 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC001441416932 1066039366 /nfs/dbraw/zinc/03/93/66/1066039366.db2.gz IEXXDYMUSJGBHJ-QGZVFWFLSA-N 0 0 456.589 4.924 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360884922 1066039687 /nfs/dbraw/zinc/03/96/87/1066039687.db2.gz LVKZKABNRMLNIK-QRWLVFNGSA-N 0 0 451.434 4.867 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC001441419554 1066039760 /nfs/dbraw/zinc/03/97/60/1066039760.db2.gz JBCZQXAHOXSIHW-UHFFFAOYSA-N 0 0 450.438 4.947 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2CSC2=NCCS2)cc1N1CCCCC1=O ZINC001441419581 1066039778 /nfs/dbraw/zinc/03/97/78/1066039778.db2.gz JLYNEOLKRQVYOO-UHFFFAOYSA-N 0 0 455.605 4.800 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360885081 1066039958 /nfs/dbraw/zinc/03/99/58/1066039958.db2.gz SAUQQLXRDHLXNV-FQEVSTJZSA-N 0 0 493.624 4.567 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2CCCc2cnn(C)c2)CC1 ZINC001360885071 1066040046 /nfs/dbraw/zinc/04/00/46/1066040046.db2.gz RSSHPRMTFQDDRB-UHFFFAOYSA-N 0 0 461.433 4.682 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001360885099 1066040066 /nfs/dbraw/zinc/04/00/66/1066040066.db2.gz SJNIKZNZPLQOIX-UHFFFAOYSA-N 0 0 453.631 4.785 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC001360885594 1066040281 /nfs/dbraw/zinc/04/02/81/1066040281.db2.gz NNRPSYCWSDVURY-UHFFFAOYSA-N 0 0 458.458 4.771 20 0 JJADRN Cc1noc(CCCn2c(-c3ccccc3Br)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360886377 1066040696 /nfs/dbraw/zinc/04/06/96/1066040696.db2.gz UKGGEQASIGOQNM-UHFFFAOYSA-N 0 0 457.376 4.578 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)CC1 ZINC001360886431 1066040785 /nfs/dbraw/zinc/04/07/85/1066040785.db2.gz WZKLGPZLQLLPDP-UHFFFAOYSA-N 0 0 472.362 4.867 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC001441427641 1066040750 /nfs/dbraw/zinc/04/07/50/1066040750.db2.gz YXEFFXZIPOVPEU-KRWDZBQOSA-N 0 0 459.468 4.892 20 0 JJADRN COc1ccc(-c2ccc(C(=O)NCCc3ccn(-c4ccc(F)cc4)n3)c(F)c2)c(F)c1 ZINC001360887536 1066041130 /nfs/dbraw/zinc/04/11/30/1066041130.db2.gz ZRNYFAPODPHCCR-UHFFFAOYSA-N 0 0 451.448 4.938 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)CC1 ZINC001360887678 1066041203 /nfs/dbraw/zinc/04/12/03/1066041203.db2.gz CMDCXMCIVBHFJH-NRFANRHFSA-N 0 0 467.614 4.693 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001360887069 1066041228 /nfs/dbraw/zinc/04/12/28/1066041228.db2.gz NYCXTFMRUFEZCS-VQIMIIECSA-N 0 0 455.480 4.826 20 0 JJADRN CCCCCOc1ccc([C@H](C)NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441443864 1066041220 /nfs/dbraw/zinc/04/12/20/1066041220.db2.gz CHHUDDDAMQSSIX-HRAATJIYSA-N 0 0 452.567 4.646 20 0 JJADRN CCCCCOc1ccc([C@H](C)NC(=O)c2ccncc2NC(=O)C(F)(F)F)cc1OC ZINC001441447118 1066041725 /nfs/dbraw/zinc/04/17/25/1066041725.db2.gz HZBZTCNEPPVBKC-AWEZNQCLSA-N 0 0 453.461 4.651 20 0 JJADRN CCCCCOc1ccc([C@@H](C)NC(=O)c2ccncc2NC(=O)C(F)(F)F)cc1OC ZINC001441447122 1066041801 /nfs/dbraw/zinc/04/18/01/1066041801.db2.gz HZBZTCNEPPVBKC-CQSZACIVSA-N 0 0 453.461 4.651 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC001360889225 1066042302 /nfs/dbraw/zinc/04/23/02/1066042302.db2.gz XNKZYGXBTYVVCN-GFCCVEGCSA-N 0 0 459.395 4.821 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)C1 ZINC001360890414 1066042632 /nfs/dbraw/zinc/04/26/32/1066042632.db2.gz JCJMWQAANCNOAE-SLFFLAALSA-N 0 0 454.636 4.833 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001360890180 1066042804 /nfs/dbraw/zinc/04/28/04/1066042804.db2.gz DMZXPQBZOFKJQU-JTQLQIEISA-N 0 0 452.729 4.906 20 0 JJADRN O=C(Nc1ccc2ccccc2n1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001441462024 1066043085 /nfs/dbraw/zinc/04/30/85/1066043085.db2.gz SXNLUGJWYQRIAC-LJQANCHMSA-N 0 0 456.315 4.770 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](NC(=O)OCC)C1 ZINC001441462566 1066043100 /nfs/dbraw/zinc/04/31/00/1066043100.db2.gz GGWVHJSOHPBVDZ-ZDUSSCGKSA-N 0 0 454.354 4.952 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC001360891910 1066043368 /nfs/dbraw/zinc/04/33/68/1066043368.db2.gz GQIPFOJOWBKDAV-FQEVSTJZSA-N 0 0 461.404 4.735 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCCO2)CC1 ZINC001360891911 1066043540 /nfs/dbraw/zinc/04/35/40/1066043540.db2.gz GQIPFOJOWBKDAV-HXUWFJFHSA-N 0 0 461.404 4.735 20 0 JJADRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001441466020 1066043626 /nfs/dbraw/zinc/04/36/26/1066043626.db2.gz QZDRRBFJFPHWSW-HDICACEKSA-N 0 0 452.986 4.639 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001360892666 1066044693 /nfs/dbraw/zinc/04/46/93/1066044693.db2.gz HUXDNZFHZVFSFR-NRFANRHFSA-N 0 0 452.603 4.648 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001360892594 1066044767 /nfs/dbraw/zinc/04/47/67/1066044767.db2.gz FJXRNBAABRXSAL-UHFFFAOYSA-N 0 0 455.603 4.545 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC001441476394 1066044859 /nfs/dbraw/zinc/04/48/59/1066044859.db2.gz CLRPFQLMNFJAFE-UHFFFAOYSA-N 0 0 452.570 4.577 20 0 JJADRN Cc1nc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C)=C(C)C2)sc1C ZINC001360892755 1066044919 /nfs/dbraw/zinc/04/49/19/1066044919.db2.gz LHULREJCKUMUTO-KDURUIRLSA-N 0 0 472.659 4.717 20 0 JJADRN CCCn1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)c1C ZINC001441476012 1066045145 /nfs/dbraw/zinc/04/51/45/1066045145.db2.gz SEGYECXGJRMDJN-JOCHJYFZSA-N 0 0 454.665 4.914 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)s1 ZINC001441477272 1066045476 /nfs/dbraw/zinc/04/54/76/1066045476.db2.gz BBPIUUVATZSKAG-UHFFFAOYSA-N 0 0 455.565 4.566 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@@](C)=O)CC2)CC1 ZINC001360893034 1066045716 /nfs/dbraw/zinc/04/57/16/1066045716.db2.gz WDHFSZLWSVKHAB-SSEXGKCCSA-N 0 0 469.438 4.622 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccccc3F)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001360893010 1066045779 /nfs/dbraw/zinc/04/57/79/1066045779.db2.gz VJGMGVUIFLIRPE-UHFFFAOYSA-N 0 0 485.604 4.942 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC3(C(=O)N(C)C)CCCC3)C2)sc1C ZINC001360893939 1066046020 /nfs/dbraw/zinc/04/60/20/1066046020.db2.gz BMDCMTKLXQJARF-IBGZPJMESA-N 0 0 472.703 4.682 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)c3cccs3)CC2)oc1C ZINC001360894730 1066047276 /nfs/dbraw/zinc/04/72/76/1066047276.db2.gz UEGZZRCFNRLIKM-UHFFFAOYSA-N 0 0 470.687 4.833 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccccn4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360894559 1066047375 /nfs/dbraw/zinc/04/73/75/1066047375.db2.gz QHQMVBKVOSRIEH-APWZRJJASA-N 0 0 497.669 4.711 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCSC(C)C)CC2)oc1C ZINC001360895030 1066047643 /nfs/dbraw/zinc/04/76/43/1066047643.db2.gz YNMQJFPDFJHQFD-UHFFFAOYSA-N 0 0 489.089 4.591 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C2)sc1C ZINC001360894947 1066047685 /nfs/dbraw/zinc/04/76/85/1066047685.db2.gz XWOXDWVNZVAXQN-OAQYLSRUSA-N 0 0 461.676 4.692 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCOC(C)(C)C)C2)sc1C ZINC001360894912 1066047729 /nfs/dbraw/zinc/04/77/29/1066047729.db2.gz XQICYGFUNUQDLU-CPJSRVTESA-N 0 0 491.702 4.591 20 0 JJADRN CCCC(=O)Nc1ccc(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001441518549 1066047986 /nfs/dbraw/zinc/04/79/86/1066047986.db2.gz HTCNDEHARFHLRF-QFIPXVFZSA-N 0 0 453.583 4.568 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCC(C(=O)c3ccc(O)cc3)CC2)sc1C ZINC001360895393 1066048008 /nfs/dbraw/zinc/04/80/08/1066048008.db2.gz ARRRJWSMPLLFHM-UHFFFAOYSA-N 0 0 453.612 4.522 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)C1(C)C ZINC001441534990 1066048697 /nfs/dbraw/zinc/04/86/97/1066048697.db2.gz CQLBJVTUGNUUOO-SJORKVTESA-N 0 0 453.421 4.782 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@H](C)c3cccc(OC(C)C)c3)cs2)c1 ZINC001441530293 1066048859 /nfs/dbraw/zinc/04/88/59/1066048859.db2.gz BJBQZPIXMOHJEO-MRXNPFEDSA-N 0 0 453.564 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Oc2ccc(NC(=O)C3CC3)cc2)(c2ccccc2)C1 ZINC001441531533 1066048919 /nfs/dbraw/zinc/04/89/19/1066048919.db2.gz DTUFFPVZIFXTOC-AREMUKBSSA-N 0 0 450.535 4.519 20 0 JJADRN C[C@@H](NC(=O)[C@](C)(O)c1ccc(Cl)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441538270 1066049327 /nfs/dbraw/zinc/04/93/27/1066049327.db2.gz VPJOYTGJMGTYAE-PUAOIOHZSA-N 0 0 454.929 4.745 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC(F)(F)CO3)C2)sc1C ZINC001360896009 1066049391 /nfs/dbraw/zinc/04/93/91/1066049391.db2.gz QZMBCKHOTXZCGM-DLBZAZTESA-N 0 0 453.603 4.748 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCSCc1ccccc1 ZINC001545942716 1066049390 /nfs/dbraw/zinc/04/93/90/1066049390.db2.gz FBUPOBUEIAUFQJ-VQIMIIECSA-N 0 0 483.604 4.765 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CCCO)CC2)sc1C ZINC001360896216 1066049922 /nfs/dbraw/zinc/04/99/22/1066049922.db2.gz XQIIDGZCMQAYFI-SFHVURJKSA-N 0 0 487.645 4.862 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc(F)cc(Br)c2N)ccc1OC1CCCC1 ZINC001441548361 1066050267 /nfs/dbraw/zinc/05/02/67/1066050267.db2.gz FUDVAVAOABINDV-LBPRGKRZSA-N 0 0 451.336 4.991 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001545942768 1066050359 /nfs/dbraw/zinc/05/03/59/1066050359.db2.gz GMCFSCFVXDGMMM-PIKZIKFNSA-N 0 0 494.684 4.998 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2F)C[C@H](C)O1 ZINC001441558065 1066050635 /nfs/dbraw/zinc/05/06/35/1066050635.db2.gz JSBOBLUBGNVSSW-ROUUACIJSA-N 0 0 450.510 4.976 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)sc1C ZINC001360897336 1066050739 /nfs/dbraw/zinc/05/07/39/1066050739.db2.gz BVUADVIOXAPUDM-DOTOQJQBSA-N 0 0 461.582 4.964 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2Cl)cc1 ZINC001360898284 1066051057 /nfs/dbraw/zinc/05/10/57/1066051057.db2.gz XVNNVKONCDTGBE-QHCPKHFHSA-N 0 0 450.901 4.896 20 0 JJADRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ncoc1-c1ccccc1Cl ZINC001441560951 1066051246 /nfs/dbraw/zinc/05/12/46/1066051246.db2.gz ASPSKDARWFOSED-UHFFFAOYSA-N 0 0 456.211 4.640 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOCc2ccccc2)sc1C ZINC001360898642 1066051477 /nfs/dbraw/zinc/05/14/77/1066051477.db2.gz XWJXGFZTXLYINH-UHFFFAOYSA-N 0 0 483.041 4.963 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)sc1C ZINC001360898759 1066051502 /nfs/dbraw/zinc/05/15/02/1066051502.db2.gz CBESWBAYLYXOEJ-JOCHJYFZSA-N 0 0 485.620 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)CC1 ZINC001441567526 1066051602 /nfs/dbraw/zinc/05/16/02/1066051602.db2.gz RCEBUYNEHICWEP-UHFFFAOYSA-N 0 0 456.383 4.733 20 0 JJADRN Cc1nc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(-c2ccccc2)s1 ZINC001441568321 1066051616 /nfs/dbraw/zinc/05/16/16/1066051616.db2.gz RHWIHEXMEYAKOP-UHFFFAOYSA-N 0 0 451.861 4.763 20 0 JJADRN C[C@@H](CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(Cl)cc1 ZINC001441566283 1066051629 /nfs/dbraw/zinc/05/16/29/1066051629.db2.gz PPIIQHSJGNBQSL-JTQLQIEISA-N 0 0 459.255 4.580 20 0 JJADRN C[C@H](CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(Cl)cc1 ZINC001441566300 1066051651 /nfs/dbraw/zinc/05/16/51/1066051651.db2.gz PPIIQHSJGNBQSL-SNVBAGLBSA-N 0 0 459.255 4.580 20 0 JJADRN Cc1cccn2cc(-c3ccc(NC(=O)c4cc(Br)cnc4N(C)C)cc3)nc12 ZINC001441564464 1066051743 /nfs/dbraw/zinc/05/17/43/1066051743.db2.gz LPFRWACLWIWOIB-UHFFFAOYSA-N 0 0 450.340 4.786 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CC[C@H](COCc3ccccc3)C2)sc1C ZINC001360898935 1066052303 /nfs/dbraw/zinc/05/23/03/1066052303.db2.gz FAGOWZUSUOMYMF-QFIPXVFZSA-N 0 0 453.656 4.836 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441593696 1066052525 /nfs/dbraw/zinc/05/25/25/1066052525.db2.gz UJYMQLPHAMJQQC-IPJJNNNSSA-N 0 0 459.631 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2C1 ZINC001441599326 1066052534 /nfs/dbraw/zinc/05/25/34/1066052534.db2.gz DRKZGNGNOFVWFY-UHFFFAOYSA-N 0 0 450.539 4.817 20 0 JJADRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)c1 ZINC001441592580 1066052563 /nfs/dbraw/zinc/05/25/63/1066052563.db2.gz NXNZLGXMAIYNAP-VKINRBECSA-N 0 0 458.558 4.786 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)sc1C ZINC001360899410 1066052687 /nfs/dbraw/zinc/05/26/87/1066052687.db2.gz MNAVDMYSJLRLKB-UHFFFAOYSA-N 0 0 478.087 4.749 20 0 JJADRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)c1 ZINC001441602689 1066052860 /nfs/dbraw/zinc/05/28/60/1066052860.db2.gz IBLAWCKNMORZTK-GOSISDBHSA-N 0 0 453.583 4.668 20 0 JJADRN Cc1nc(CCn2c(CCOc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)sc1C ZINC001360899844 1066053032 /nfs/dbraw/zinc/05/30/32/1066053032.db2.gz SPSXIWYETUAYBO-SANMLTNESA-N 0 0 483.682 4.857 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)sc1C ZINC001360900045 1066053387 /nfs/dbraw/zinc/05/33/87/1066053387.db2.gz WKDJMUJCXJTRHK-GLJAMUPPSA-N 0 0 492.665 4.549 20 0 JJADRN Cc1nc(CCn2c(N3CC[C@H](C(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360899902 1066053481 /nfs/dbraw/zinc/05/34/81/1066053481.db2.gz UYOYTRVCIWRDBH-YADARESESA-N 0 0 461.676 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCC3(c4ccc(F)cc4)CC3)cs2)CC1 ZINC001441609949 1066053470 /nfs/dbraw/zinc/05/34/70/1066053470.db2.gz UCYCWOSWHMCDFX-UHFFFAOYSA-N 0 0 459.587 4.858 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC001360900473 1066053889 /nfs/dbraw/zinc/05/38/89/1066053889.db2.gz IEDHLRARBHAJCB-UHFFFAOYSA-N 0 0 457.621 4.813 20 0 JJADRN Cc1nc(CCn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)sc1C ZINC001360900107 1066053917 /nfs/dbraw/zinc/05/39/17/1066053917.db2.gz YPUKYTOOVDGZLF-KRWDZBQOSA-N 0 0 457.648 4.782 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360900115 1066053936 /nfs/dbraw/zinc/05/39/36/1066053936.db2.gz YUHWYLGREFYNBW-LJQANCHMSA-N 0 0 490.718 4.924 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)CCc3ccc4ccccc4c3O)CC2)cc1Cl ZINC001441617531 1066054627 /nfs/dbraw/zinc/05/46/27/1066054627.db2.gz YNEREKWDHCGSIT-UHFFFAOYSA-N 0 0 451.954 4.816 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@H](C)C2)sc1C ZINC001360901434 1066055044 /nfs/dbraw/zinc/05/50/44/1066055044.db2.gz QTHTZWCDBUFCRP-QWHCGFSZSA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCC2CCOCC2)sc1C ZINC001360901512 1066055158 /nfs/dbraw/zinc/05/51/58/1066055158.db2.gz SKPKUEXSSGYZRK-UHFFFAOYSA-N 0 0 477.581 4.921 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC001360901772 1066055484 /nfs/dbraw/zinc/05/54/84/1066055484.db2.gz AWKWAFGILBBEOM-CQSZACIVSA-N 0 0 451.470 4.687 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)sc1C ZINC001360902301 1066055895 /nfs/dbraw/zinc/05/58/95/1066055895.db2.gz FUUCKDPLZASPRU-FQEVSTJZSA-N 0 0 469.655 4.964 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC2CC2)sc1C ZINC001360903245 1066056689 /nfs/dbraw/zinc/05/66/89/1066056689.db2.gz VCNDFIJHHLMXFV-UHFFFAOYSA-N 0 0 450.381 4.815 20 0 JJADRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H](O)c1cccc(Br)c1 ZINC001441631893 1066056859 /nfs/dbraw/zinc/05/68/59/1066056859.db2.gz QEVPQZKKBCTJMG-HNNXBMFYSA-N 0 0 450.226 4.538 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CCCC1 ZINC001360903679 1066057080 /nfs/dbraw/zinc/05/70/80/1066057080.db2.gz JIQYUIPKKQCWKA-UHFFFAOYSA-N 0 0 455.338 4.945 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001441645272 1066057190 /nfs/dbraw/zinc/05/71/90/1066057190.db2.gz SRCRWDYLVLKJPU-XMMPIXPASA-N 0 0 459.546 4.722 20 0 JJADRN COc1cc(/C=C(/C(=O)Nc2ccc(OCc3nccn3C)cc2)c2ccccc2)ccc1O ZINC001441645936 1066057324 /nfs/dbraw/zinc/05/73/24/1066057324.db2.gz DZWIGHZOTCNLBI-XQNSMLJCSA-N 0 0 455.514 4.893 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@H](C)C2)sc1C ZINC001360904180 1066057430 /nfs/dbraw/zinc/05/74/30/1066057430.db2.gz DTSIUOKPTLTMON-SQGPQFPESA-N 0 0 488.702 4.997 20 0 JJADRN CC[C@@H](C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)c1cccc(C(F)(F)F)c1 ZINC001360903911 1066057468 /nfs/dbraw/zinc/05/74/68/1066057468.db2.gz RIZQHJWMZMGEQT-MRXNPFEDSA-N 0 0 450.482 4.991 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Br)cc2)sc1C ZINC001360904484 1066057813 /nfs/dbraw/zinc/05/78/13/1066057813.db2.gz JWDCXJQQTUONJA-UHFFFAOYSA-N 0 0 483.439 4.784 20 0 JJADRN Cc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC001441655639 1066057987 /nfs/dbraw/zinc/05/79/87/1066057987.db2.gz ZEMSEROLHXSSDV-UHFFFAOYSA-N 0 0 456.583 4.675 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)CNC(=O)Cc2cccc3ccccc32)ccc1F ZINC001441653842 1066058009 /nfs/dbraw/zinc/05/80/09/1066058009.db2.gz ZHZUBUOYJRPKLY-UHFFFAOYSA-N 0 0 451.498 4.623 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656749 1066058426 /nfs/dbraw/zinc/05/84/26/1066058426.db2.gz GBGXHECMHYBUJM-RTBURBONSA-N 0 0 452.599 4.777 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)C)n3CCCO[C@H](C)c3ccccc3)CC2)sc1C ZINC001360904896 1066058725 /nfs/dbraw/zinc/05/87/25/1066058725.db2.gz HNYIBSNYKZBGBW-HXUWFJFHSA-N 0 0 468.671 4.969 20 0 JJADRN CN(Cc1cccc2ccccc21)C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001441665540 1066059005 /nfs/dbraw/zinc/05/90/05/1066059005.db2.gz LPODJMIXHBROFH-UHFFFAOYSA-N 0 0 450.585 4.568 20 0 JJADRN Cc1nc(Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)sc1C ZINC001360905215 1066059194 /nfs/dbraw/zinc/05/91/94/1066059194.db2.gz VOHSZCWLDULQKX-CQSZACIVSA-N 0 0 456.616 4.826 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)cc2)c(OC)c1 ZINC001441668308 1066059389 /nfs/dbraw/zinc/05/93/89/1066059389.db2.gz DLDQQXXJPFEYSW-UHFFFAOYSA-N 0 0 457.534 4.575 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1C ZINC001441667407 1066059660 /nfs/dbraw/zinc/05/96/60/1066059660.db2.gz SEWLAWOQJNVUTL-XMMPIXPASA-N 0 0 456.995 4.531 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1OCCC(C)C ZINC001441671189 1066059927 /nfs/dbraw/zinc/05/99/27/1066059927.db2.gz JLDSXLKEITYJBW-CTNGQTDRSA-N 0 0 459.631 4.662 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360906542 1066060348 /nfs/dbraw/zinc/06/03/48/1066060348.db2.gz ULBKMATYSMITSN-UHFFFAOYSA-N 0 0 452.599 4.736 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001441681234 1066060687 /nfs/dbraw/zinc/06/06/87/1066060687.db2.gz LJUOVSMJRHQGML-UHFFFAOYSA-N 0 0 451.368 4.954 20 0 JJADRN CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC001441681696 1066060729 /nfs/dbraw/zinc/06/07/29/1066060729.db2.gz ALSFCTXKCWSFQU-SFTDATJTSA-N 0 0 456.652 4.726 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001441680532 1066060785 /nfs/dbraw/zinc/06/07/85/1066060785.db2.gz JBEDNWDQILUOEI-HFZDXXHNSA-N 0 0 452.599 4.505 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cnn1-c1cccc(Cl)c1 ZINC001360906775 1066060916 /nfs/dbraw/zinc/06/09/16/1066060916.db2.gz LOLDZVBKAABTIO-OAHLLOKOSA-N 0 0 457.361 4.710 20 0 JJADRN COc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC1CCCC1 ZINC001360906659 1066060966 /nfs/dbraw/zinc/06/09/66/1066060966.db2.gz ITJNCOHLVYPQCL-QGZVFWFLSA-N 0 0 456.970 4.892 20 0 JJADRN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OCC1CCCCC1 ZINC001360907010 1066061305 /nfs/dbraw/zinc/06/13/05/1066061305.db2.gz QZKIXJZEJWDTOD-UHFFFAOYSA-N 0 0 456.608 4.919 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001492597688 1066061332 /nfs/dbraw/zinc/06/13/32/1066061332.db2.gz DPGOMQRKLINLTE-IBGZPJMESA-N 0 0 467.580 4.674 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)sc1C ZINC001360907273 1066061735 /nfs/dbraw/zinc/06/17/35/1066061735.db2.gz AMBYDYLBSBRRBV-UHFFFAOYSA-N 0 0 456.925 4.561 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCCC(C)(C)C ZINC001360907594 1066062099 /nfs/dbraw/zinc/06/20/99/1066062099.db2.gz KYJNCGDUKCXRAB-INIZCTEOSA-N 0 0 454.644 4.903 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)Nc1ccccc1F ZINC001441701084 1066062456 /nfs/dbraw/zinc/06/24/56/1066062456.db2.gz GPLOJSUHZATVLR-QFIPXVFZSA-N 0 0 456.876 4.589 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CCNC(=O)c1cccs1 ZINC001360908169 1066063186 /nfs/dbraw/zinc/06/31/86/1066063186.db2.gz DTVJHGUKNSVWEV-UHFFFAOYSA-N 0 0 480.663 4.961 20 0 JJADRN COc1c(N)c(C(=O)NCc2nc(-c3ccccc3)cs2)cc(Cl)c1Br ZINC001441711053 1066063418 /nfs/dbraw/zinc/06/34/18/1066063418.db2.gz POPHFIJILCWGER-UHFFFAOYSA-N 0 0 452.761 4.747 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1Cc1ccc(F)cc1 ZINC001360908322 1066063532 /nfs/dbraw/zinc/06/35/32/1066063532.db2.gz IAPKVUNMGFCYMI-UHFFFAOYSA-N 0 0 472.634 4.605 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360908307 1066063686 /nfs/dbraw/zinc/06/36/86/1066063686.db2.gz HRCAGDNRWXZNKY-TZIWHRDSSA-N 0 0 490.718 4.624 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc(OC(F)F)c(F)c1 ZINC001441721587 1066063749 /nfs/dbraw/zinc/06/37/49/1066063749.db2.gz CUEPOXGJFPHLQH-AREMUKBSSA-N 0 0 450.276 4.716 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc(OC(F)F)c(F)c1 ZINC001441721589 1066063761 /nfs/dbraw/zinc/06/37/61/1066063761.db2.gz CUEPOXGJFPHLQH-SANMLTNESA-N 0 0 450.276 4.716 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)Cc1ccc(Br)cc1O ZINC001441721520 1066063907 /nfs/dbraw/zinc/06/39/07/1066063907.db2.gz BRVOSOAEPKIFPL-GJZGRUSLSA-N 0 0 459.384 4.762 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(C)C)n1CC1CCS(=O)(=O)CC1 ZINC001360908424 1066064014 /nfs/dbraw/zinc/06/40/14/1066064014.db2.gz KKKPLEHAHFWRJM-UHFFFAOYSA-N 0 0 487.695 4.684 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCc2ccc(Cl)cc2)n1CCC(C)C ZINC001360908591 1066064062 /nfs/dbraw/zinc/06/40/62/1066064062.db2.gz MYSCJQABXNIXIW-UHFFFAOYSA-N 0 0 489.089 4.925 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCCCO ZINC001360908843 1066064502 /nfs/dbraw/zinc/06/45/02/1066064502.db2.gz SGFXOLIINAQCPI-UHFFFAOYSA-N 0 0 486.045 4.563 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CCn1ccnc1C ZINC001360908981 1066064802 /nfs/dbraw/zinc/06/48/02/1066064802.db2.gz UEBCQFQIIQBRSM-UHFFFAOYSA-N 0 0 457.554 4.674 20 0 JJADRN Cc1nc2cc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)ccc2n1C ZINC001360909283 1066065591 /nfs/dbraw/zinc/06/55/91/1066065591.db2.gz NHHAWFVSBCXNMJ-QGZVFWFLSA-N 0 0 457.962 4.833 20 0 JJADRN CCOC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1)C(C)C ZINC001441740703 1066065982 /nfs/dbraw/zinc/06/59/82/1066065982.db2.gz VTDJIZGYQKWYSU-MRXNPFEDSA-N 0 0 454.390 4.514 20 0 JJADRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)s1 ZINC001441740633 1066066061 /nfs/dbraw/zinc/06/60/61/1066066061.db2.gz VFYICVXSSJZZAD-IYBDPMFKSA-N 0 0 456.999 4.957 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)C(C)C ZINC001360910271 1066066054 /nfs/dbraw/zinc/06/60/54/1066066054.db2.gz BALBFUQOCQOAKD-QZTJIDSGSA-N 0 0 460.692 4.854 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCOCC(F)F ZINC001360910381 1066066065 /nfs/dbraw/zinc/06/60/65/1066066065.db2.gz FCGNRFLPMMCDID-IYBDPMFKSA-N 0 0 477.581 4.662 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910459 1066066745 /nfs/dbraw/zinc/06/67/45/1066066745.db2.gz GVYRLEXAADQAMP-ZWKOTPCHSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(OCCC(C)C)CC2)n1CCC(C)C ZINC001360910868 1066067503 /nfs/dbraw/zinc/06/75/03/1066067503.db2.gz RNSOTFXNBCYQKN-UHFFFAOYSA-N 0 0 490.718 4.624 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCSCC(C)C ZINC001360911038 1066067811 /nfs/dbraw/zinc/06/78/11/1066067811.db2.gz VALMBSMQDVQNCG-LJQANCHMSA-N 0 0 498.722 4.858 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(Nc2cnn(C)c2)n1CCCN(C)CC(F)(F)F ZINC001360911237 1066068145 /nfs/dbraw/zinc/06/81/45/1066068145.db2.gz GLDXKUTYBOTXSG-UHFFFAOYSA-N 0 0 490.559 4.738 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 ZINC001360911457 1066068705 /nfs/dbraw/zinc/06/87/05/1066068705.db2.gz LRKFOOHPWGCKEN-OAHLLOKOSA-N 0 0 450.921 4.581 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001545944494 1066069320 /nfs/dbraw/zinc/06/93/20/1066069320.db2.gz KACUFGIBFRXFGF-XDNAFOTISA-N 0 0 489.611 4.857 20 0 JJADRN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001441777656 1066069468 /nfs/dbraw/zinc/06/94/68/1066069468.db2.gz XRKVCFORYSGGKI-UHFFFAOYSA-N 0 0 450.844 4.507 20 0 JJADRN Cc1nc(NC(=O)c2cnn(CCO)c2-c2ccccc2)sc1Cc1cccc(Cl)c1 ZINC001441790540 1066069724 /nfs/dbraw/zinc/06/97/24/1066069724.db2.gz WTNGQKAHXZZYIP-UHFFFAOYSA-N 0 0 452.967 4.804 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 ZINC001360913405 1066070235 /nfs/dbraw/zinc/07/02/35/1066070235.db2.gz XAUJIATVTUMKQR-UHFFFAOYSA-N 0 0 454.594 4.780 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)n[nH]2)c(OC)c1 ZINC001441795904 1066070282 /nfs/dbraw/zinc/07/02/82/1066070282.db2.gz OMYPNKMDUWEINY-UHFFFAOYSA-N 0 0 456.474 4.832 20 0 JJADRN COc1cc(CN(C)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c(SC)cc1OC ZINC001360914085 1066070652 /nfs/dbraw/zinc/07/06/52/1066070652.db2.gz QVGATINFWFXZEX-UHFFFAOYSA-N 0 0 454.596 4.710 20 0 JJADRN Cc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC001441807713 1066070585 /nfs/dbraw/zinc/07/05/85/1066070585.db2.gz SRXMETMASFUCEN-SANMLTNESA-N 0 0 457.574 4.960 20 0 JJADRN CC(C)(C)c1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC001441808114 1066070613 /nfs/dbraw/zinc/07/06/13/1066070613.db2.gz FXSPSEWVBMHKQE-UHFFFAOYSA-N 0 0 458.400 4.561 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c2ccccc12 ZINC001441808139 1066070624 /nfs/dbraw/zinc/07/06/24/1066070624.db2.gz GAVREQQECPMANM-INIZCTEOSA-N 0 0 452.352 4.797 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001492597764 1066070972 /nfs/dbraw/zinc/07/09/72/1066070972.db2.gz GAGIRRSRQGTCEB-ICSRJNTNSA-N 0 0 455.628 4.677 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360915002 1066071167 /nfs/dbraw/zinc/07/11/67/1066071167.db2.gz UGFZWLCJRPEQPP-RXVVDRJESA-N 0 0 487.693 4.661 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC001441809420 1066071109 /nfs/dbraw/zinc/07/11/09/1066071109.db2.gz BSUUFKGNJHFPHR-AREMUKBSSA-N 0 0 457.615 4.985 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC001360915632 1066071355 /nfs/dbraw/zinc/07/13/55/1066071355.db2.gz MUGUUYVZWCQXPG-WJFJTQNHSA-N 0 0 452.599 4.865 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC001360915630 1066071478 /nfs/dbraw/zinc/07/14/78/1066071478.db2.gz MUGUUYVZWCQXPG-MHADKKCISA-N 0 0 452.599 4.865 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001441812725 1066072108 /nfs/dbraw/zinc/07/21/08/1066072108.db2.gz JJZZKERVJXYVSZ-RHJHNYBLSA-N 0 0 455.599 4.701 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnn3c2NC[C@@H](C)C3)ccc1Cl ZINC001441815255 1066072411 /nfs/dbraw/zinc/07/24/11/1066072411.db2.gz OJPZNFYKZRRIIX-MRXNPFEDSA-N 0 0 451.958 4.513 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc(OC)c(F)c2N)ccc1Cl ZINC001441815816 1066072632 /nfs/dbraw/zinc/07/26/32/1066072632.db2.gz QRVZUAZSQHTOHE-UHFFFAOYSA-N 0 0 455.917 4.985 20 0 JJADRN CCCOc1ccc(NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001441815150 1066072644 /nfs/dbraw/zinc/07/26/44/1066072644.db2.gz KGRDTBLJXHSHEE-JOCHJYFZSA-N 0 0 451.951 4.613 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001360917130 1066072570 /nfs/dbraw/zinc/07/25/70/1066072570.db2.gz IOPAUSNVGLCMTK-SXLOBPIMSA-N 0 0 457.368 4.553 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)c1ccc(Cl)cc1 ZINC001360917265 1066072670 /nfs/dbraw/zinc/07/26/70/1066072670.db2.gz MSFFLISUCRZGQW-QAPCUYQASA-N 0 0 455.045 4.535 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1nc2ccc(Br)cn2c1F ZINC001441819538 1066072872 /nfs/dbraw/zinc/07/28/72/1066072872.db2.gz UFGUNOUILNJJBA-UHFFFAOYSA-N 0 0 459.319 4.504 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC001441816284 1066073023 /nfs/dbraw/zinc/07/30/23/1066073023.db2.gz CQFJWVUGYDJYST-KRWDZBQOSA-N 0 0 455.986 4.568 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)cc1 ZINC001441820903 1066073427 /nfs/dbraw/zinc/07/34/27/1066073427.db2.gz QENHGWQLYFSDKM-GHTZIAJQSA-N 0 0 455.599 4.819 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)c(OCc2ccccc2)c1 ZINC001441819841 1066073508 /nfs/dbraw/zinc/07/35/08/1066073508.db2.gz NWQOHUJLWXTZLG-UHFFFAOYSA-N 0 0 453.336 4.705 20 0 JJADRN Cc1ncsc1CCn1c(C(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360918085 1066073507 /nfs/dbraw/zinc/07/35/07/1066073507.db2.gz IIBCULFXRHSYPE-AEFFLSMTSA-N 0 0 462.664 4.539 20 0 JJADRN Cc1ncsc1CCn1c(C(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360918086 1066073581 /nfs/dbraw/zinc/07/35/81/1066073581.db2.gz IIBCULFXRHSYPE-FUHWJXTLSA-N 0 0 462.664 4.539 20 0 JJADRN CCc1ccc(C(C)(C)C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC001441819557 1066073662 /nfs/dbraw/zinc/07/36/62/1066073662.db2.gz WYNWHBCHHGCUSP-UHFFFAOYSA-N 0 0 458.400 4.561 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1n[nH]c2ccc(Br)cc21 ZINC001441822493 1066073875 /nfs/dbraw/zinc/07/38/75/1066073875.db2.gz XFXDSSMUSLBUDY-UHFFFAOYSA-N 0 0 453.271 4.969 20 0 JJADRN CC[C@@H]1CCc2nc(NC(=O)c3cn4cc(CNC(=O)OC(C)(C)C)ccc4n3)sc2C1 ZINC001441843661 1066074831 /nfs/dbraw/zinc/07/48/31/1066074831.db2.gz QDRSVZYDDSMSPS-CQSZACIVSA-N 0 0 455.584 4.583 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001441854587 1066075223 /nfs/dbraw/zinc/07/52/23/1066075223.db2.gz OHHSOYHBWRZOAI-UHFFFAOYSA-N 0 0 459.974 4.556 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360919939 1066075475 /nfs/dbraw/zinc/07/54/75/1066075475.db2.gz GQQOQYWVVWQXLN-FQEVSTJZSA-N 0 0 451.640 4.546 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001360919940 1066075594 /nfs/dbraw/zinc/07/55/94/1066075594.db2.gz GQQOQYWVVWQXLN-HXUWFJFHSA-N 0 0 451.640 4.546 20 0 JJADRN COc1cc([C@@H](C)NC(=O)Cc2cccnc2Br)ccc1OCc1ccccc1 ZINC001441868904 1066075704 /nfs/dbraw/zinc/07/57/04/1066075704.db2.gz PWXMJIITKFDOEJ-MRXNPFEDSA-N 0 0 455.352 4.852 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC001441872371 1066075744 /nfs/dbraw/zinc/07/57/44/1066075744.db2.gz VCBXZBYZZLGPEQ-SFHVURJKSA-N 0 0 456.789 4.792 20 0 JJADRN Cc1ccccc1[C@H]1CCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001441866174 1066075827 /nfs/dbraw/zinc/07/58/27/1066075827.db2.gz MWMBQJFWSUHCPN-HXUWFJFHSA-N 0 0 450.398 4.675 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360920047 1066075853 /nfs/dbraw/zinc/07/58/53/1066075853.db2.gz LUVWICQLUAMNRV-QGZVFWFLSA-N 0 0 471.602 4.800 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001360920139 1066075958 /nfs/dbraw/zinc/07/59/58/1066075958.db2.gz PEUDPEKBUCOLSV-SFHVURJKSA-N 0 0 451.640 4.522 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001360920371 1066076873 /nfs/dbraw/zinc/07/68/73/1066076873.db2.gz ULLIJFUYYLQTLS-UHFFFAOYSA-N 0 0 499.489 4.878 20 0 JJADRN O=C(OCc1cc(Cl)ccc1OC(F)F)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001360920816 1066077045 /nfs/dbraw/zinc/07/70/45/1066077045.db2.gz PPQSYJMELIXYGL-GFCCVEGCSA-N 0 0 453.898 4.906 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCCc2ccc(F)c(Br)c2)CCC1 ZINC001441881210 1066077131 /nfs/dbraw/zinc/07/71/31/1066077131.db2.gz FIHVNAQQPXTUQW-UHFFFAOYSA-N 0 0 455.368 4.569 20 0 JJADRN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001441882900 1066077242 /nfs/dbraw/zinc/07/72/42/1066077242.db2.gz HJUJYJMHYOWQSV-ZIAGYGMSSA-N 0 0 452.281 4.822 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360921128 1066077530 /nfs/dbraw/zinc/07/75/30/1066077530.db2.gz BQDLXKMTRQOADK-OAHLLOKOSA-N 0 0 466.405 4.519 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c(O)c1 ZINC001441884842 1066077630 /nfs/dbraw/zinc/07/76/30/1066077630.db2.gz PHSOWHKPIPYNAJ-UHFFFAOYSA-N 0 0 453.539 4.798 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001441885358 1066077807 /nfs/dbraw/zinc/07/78/07/1066077807.db2.gz NHTPRXYHQLNHLX-JTSKRJEESA-N 0 0 455.599 4.943 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(OCc2ccccn2)cc1 ZINC001441886392 1066078034 /nfs/dbraw/zinc/07/80/34/1066078034.db2.gz RFISJHITNDTTSJ-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)c1cccc(OCc2ccccn2)c1 ZINC001441886391 1066078085 /nfs/dbraw/zinc/07/80/85/1066078085.db2.gz CEULIYOGJBJYRM-IRFCIJBXSA-N 0 0 453.583 4.921 20 0 JJADRN CN(C(=O)c1ccccc1NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)C1CCCCC1 ZINC001441886566 1066078252 /nfs/dbraw/zinc/07/82/52/1066078252.db2.gz SPMZJEHJIKOAGB-CZTZKLFOSA-N 0 0 455.599 4.533 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001360922907 1066078383 /nfs/dbraw/zinc/07/83/83/1066078383.db2.gz GKFNNQWGNOCONC-UHFFFAOYSA-N 0 0 481.666 4.938 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360923390 1066079033 /nfs/dbraw/zinc/07/90/33/1066079033.db2.gz QYTDFKAXLSPGRB-KRWDZBQOSA-N 0 0 465.545 4.835 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360923377 1066079199 /nfs/dbraw/zinc/07/91/99/1066079199.db2.gz QQBCIDMBSFGZNO-RTBURBONSA-N 0 0 475.659 4.578 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC001441892098 1066079242 /nfs/dbraw/zinc/07/92/42/1066079242.db2.gz NILMZCXKEZPIPS-GJZUVCINSA-N 0 0 453.583 4.750 20 0 JJADRN COc1cc(N)c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1Br ZINC001441893182 1066079533 /nfs/dbraw/zinc/07/95/33/1066079533.db2.gz NQZWVMUWBZEROJ-UHFFFAOYSA-N 0 0 454.324 4.853 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360924141 1066079836 /nfs/dbraw/zinc/07/98/36/1066079836.db2.gz JMVWFYXXVREQMJ-HNAYVOBHSA-N 0 0 468.520 4.777 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001360923665 1066079914 /nfs/dbraw/zinc/07/99/14/1066079914.db2.gz ZGDCHSQPJHWISH-SFHVURJKSA-N 0 0 487.073 4.993 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001360923668 1066079925 /nfs/dbraw/zinc/07/99/25/1066079925.db2.gz ZIMUPYCXWBYAIH-HSZRJFAPSA-N 0 0 471.646 4.963 20 0 JJADRN COc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)ccc1OCc1ccc(Cl)cc1 ZINC001360924267 1066080228 /nfs/dbraw/zinc/08/02/28/1066080228.db2.gz IRYIOBNQMHQIMV-UHFFFAOYSA-N 0 0 452.894 4.535 20 0 JJADRN Cc1ncsc1CCn1c(Cc2cccnc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360924319 1066080341 /nfs/dbraw/zinc/08/03/41/1066080341.db2.gz MNRWFGLPYJRGMB-UHFFFAOYSA-N 0 0 489.468 4.732 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001360924164 1066080379 /nfs/dbraw/zinc/08/03/79/1066080379.db2.gz KDHHRMVUXKHKOD-INIZCTEOSA-N 0 0 454.550 4.747 20 0 JJADRN Cc1ncsc1CCn1c(CCCc2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360924158 1066080413 /nfs/dbraw/zinc/08/04/13/1066080413.db2.gz JYRDUVWJIUYMLG-LJQANCHMSA-N 0 0 492.615 4.534 20 0 JJADRN Cc1ncsc1CCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360924424 1066080654 /nfs/dbraw/zinc/08/06/54/1066080654.db2.gz OXDBXXHHJUUYEW-UHFFFAOYSA-N 0 0 494.709 4.544 20 0 JJADRN CC(C)N(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1F ZINC001441917488 1066080995 /nfs/dbraw/zinc/08/09/95/1066080995.db2.gz MZMCQXOCIXBZQM-UHFFFAOYSA-N 0 0 459.518 4.863 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(F)cc2I)cc1 ZINC001360925371 1066081048 /nfs/dbraw/zinc/08/10/48/1066081048.db2.gz BOQGUYTUBIJNTF-HNAYVOBHSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)cc1 ZINC001360924806 1066081163 /nfs/dbraw/zinc/08/11/63/1066081163.db2.gz OGRBNALIJXRAKH-HSZRJFAPSA-N 0 0 450.558 4.702 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001545945222 1066081369 /nfs/dbraw/zinc/08/13/69/1066081369.db2.gz JZZOPBXNLUVBKX-UHFFFAOYSA-N 0 0 452.557 4.644 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)n1ccc2ccccc2c1=O ZINC001441929724 1066081453 /nfs/dbraw/zinc/08/14/53/1066081453.db2.gz NCBZAVOWQILMBI-ZWKOTPCHSA-N 0 0 457.505 4.831 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(I)c(F)c2)cc1 ZINC001360925554 1066081516 /nfs/dbraw/zinc/08/15/16/1066081516.db2.gz JRRFAAJIQWLAOU-VQIMIIECSA-N 0 0 453.295 4.636 20 0 JJADRN CN(CCCCC(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2)C(=O)OC(C)(C)C ZINC001441944071 1066081756 /nfs/dbraw/zinc/08/17/56/1066081756.db2.gz GZSZPRWOPSAHQG-UHFFFAOYSA-N 0 0 458.628 4.677 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441942692 1066081876 /nfs/dbraw/zinc/08/18/76/1066081876.db2.gz BEEYLJSCBBWFLX-UZUQRXQVSA-N 0 0 451.567 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cn2)C1 ZINC001441937451 1066081887 /nfs/dbraw/zinc/08/18/87/1066081887.db2.gz VMMJLIIKXZEIPW-HXUWFJFHSA-N 0 0 456.591 4.553 20 0 JJADRN CC(C)c1c(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cnn1-c1ccccc1Cl ZINC001441945086 1066082320 /nfs/dbraw/zinc/08/23/20/1066082320.db2.gz AYMCPNXLLHDBPK-UHFFFAOYSA-N 0 0 456.999 4.699 20 0 JJADRN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001441953546 1066082517 /nfs/dbraw/zinc/08/25/17/1066082517.db2.gz WQLCLAUPZBYJFT-UHFFFAOYSA-N 0 0 459.319 4.627 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cc1 ZINC001441952200 1066082681 /nfs/dbraw/zinc/08/26/81/1066082681.db2.gz PIXTUKGXJJUBHD-UHFFFAOYSA-N 0 0 453.348 4.690 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360926093 1066082745 /nfs/dbraw/zinc/08/27/45/1066082745.db2.gz GZSWTEGPSKOFHX-ZCNNSNEGSA-N 0 0 489.686 4.667 20 0 JJADRN COc1ccc(Br)cc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001441960063 1066082932 /nfs/dbraw/zinc/08/29/32/1066082932.db2.gz PMWNOKVUMXVZLM-UHFFFAOYSA-N 0 0 452.658 4.966 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)[C@@H](CCS(C)(=O)=O)c4ccccc4)CC3)c[nH]c21 ZINC001441959172 1066083072 /nfs/dbraw/zinc/08/30/72/1066083072.db2.gz VTKHIRNXNVFLNP-QFIPXVFZSA-N 0 0 452.620 4.655 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001360926541 1066083112 /nfs/dbraw/zinc/08/31/12/1066083112.db2.gz SKOSPZUBBBOTIW-FQEVSTJZSA-N 0 0 476.046 4.769 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC001441959791 1066083175 /nfs/dbraw/zinc/08/31/75/1066083175.db2.gz RQYPMTCCLPDBKF-UHFFFAOYSA-N 0 0 459.787 4.887 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360926641 1066083472 /nfs/dbraw/zinc/08/34/72/1066083472.db2.gz WGZJLRQRJNYCES-OTWHNJEPSA-N 0 0 475.659 4.576 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360926674 1066083562 /nfs/dbraw/zinc/08/35/62/1066083562.db2.gz XJGGUMDXWLXVAU-SFHVURJKSA-N 0 0 499.534 4.552 20 0 JJADRN O=C(c1cc2c(ccnc2Cl)s1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441976260 1066083683 /nfs/dbraw/zinc/08/36/83/1066083683.db2.gz DVAVCEDFQPNQHQ-UHFFFAOYSA-N 0 0 454.766 4.855 20 0 JJADRN Cc1nnc(NC(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001441975564 1066083694 /nfs/dbraw/zinc/08/36/94/1066083694.db2.gz FQSFIJIPVYYCNJ-UHFFFAOYSA-N 0 0 450.564 4.883 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@H]1CCCCO1 ZINC001360926978 1066083836 /nfs/dbraw/zinc/08/38/36/1066083836.db2.gz IOCFMUDUUBVBGX-JOCHJYFZSA-N 0 0 486.016 4.749 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001360927323 1066083864 /nfs/dbraw/zinc/08/38/64/1066083864.db2.gz VQIPNIZXMKJWDX-INIZCTEOSA-N 0 0 494.999 4.698 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(C)(C)C)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001360927125 1066083943 /nfs/dbraw/zinc/08/39/43/1066083943.db2.gz NTPJGNPECANWRH-HNNXBMFYSA-N 0 0 451.600 4.831 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ncc(Br)s1 ZINC001441983789 1066084080 /nfs/dbraw/zinc/08/40/80/1066084080.db2.gz KVMXSLVHUUJJQG-UHFFFAOYSA-N 0 0 459.188 4.973 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC001360928356 1066084308 /nfs/dbraw/zinc/08/43/08/1066084308.db2.gz FQNUZZZSCBEDHM-NRFANRHFSA-N 0 0 453.384 4.544 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001360928526 1066084430 /nfs/dbraw/zinc/08/44/30/1066084430.db2.gz JMPZPDMEGCNOTL-WIYYLYMNSA-N 0 0 459.612 4.682 20 0 JJADRN O=C(Cc1csc(C2CCCC2)n1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001442006215 1066084824 /nfs/dbraw/zinc/08/48/24/1066084824.db2.gz NUYGEMJTBJGZGO-UHFFFAOYSA-N 0 0 452.407 4.635 20 0 JJADRN O=C(NCc1cccc(COc2ccccc2)c1)c1ccc(I)c(O)c1 ZINC001441999273 1066084857 /nfs/dbraw/zinc/08/48/57/1066084857.db2.gz AIIHZAQBPCUDHZ-UHFFFAOYSA-N 0 0 459.283 4.506 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)NCC(C)(C)c2ccc(Cl)cc2)cc1 ZINC001441995164 1066085028 /nfs/dbraw/zinc/08/50/28/1066085028.db2.gz SSESXQHYZRWCRY-UHFFFAOYSA-N 0 0 459.015 4.770 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC001442013650 1066085251 /nfs/dbraw/zinc/08/52/51/1066085251.db2.gz UZVNCPXKNNGIAC-STQMWFEESA-N 0 0 458.443 4.898 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001360929792 1066086128 /nfs/dbraw/zinc/08/61/28/1066086128.db2.gz MMJHKTAOJKYWBR-YLJYHZDGSA-N 0 0 476.419 4.645 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(C)CCOCC2)cnn1C ZINC001360929814 1066086158 /nfs/dbraw/zinc/08/61/58/1066086158.db2.gz NCEIVPYDYBTJBA-SFHVURJKSA-N 0 0 473.021 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2nc(CN3CCCCC3)cs2)c2ccccc21 ZINC001442026406 1066086383 /nfs/dbraw/zinc/08/63/83/1066086383.db2.gz ZUGVETDYCQAGCB-KRWDZBQOSA-N 0 0 456.612 4.997 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C ZINC001360930304 1066086880 /nfs/dbraw/zinc/08/68/80/1066086880.db2.gz STCWPQHYMJEQPJ-QHCPKHFHSA-N 0 0 476.046 4.730 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)c1nnc2n1CCC2 ZINC001442035861 1066087040 /nfs/dbraw/zinc/08/70/40/1066087040.db2.gz HJEIAMVQMNXVDL-CQSZACIVSA-N 0 0 457.397 4.770 20 0 JJADRN CC[C@@H](O)Cn1cc(C(=O)NC[C@@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)nn1 ZINC001442032617 1066087053 /nfs/dbraw/zinc/08/70/53/1066087053.db2.gz AQJRLJHPLQPYCV-FQPZXIKYSA-N 0 0 452.643 4.613 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)(F)F)cnn1C ZINC001360930765 1066087301 /nfs/dbraw/zinc/08/73/01/1066087301.db2.gz XJTAKNRESLUHRA-HNNXBMFYSA-N 0 0 486.926 4.676 20 0 JJADRN CCCN(C(=O)CCCn1c(C)cc(=O)cc1C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930914 1066087469 /nfs/dbraw/zinc/08/74/69/1066087469.db2.gz JYRCZDCYDGXMCK-AREMUKBSSA-N 0 0 453.533 4.947 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1OC(F)(F)F ZINC001442045275 1066087864 /nfs/dbraw/zinc/08/78/64/1066087864.db2.gz IEIQBVZUQCDDGK-AWEZNQCLSA-N 0 0 457.290 4.912 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C(=O)c2ccco2)c1 ZINC001442050096 1066087885 /nfs/dbraw/zinc/08/78/85/1066087885.db2.gz NAVSTYLYGFDCNY-INIZCTEOSA-N 0 0 453.336 4.529 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCc1cccc(F)c1Br ZINC001360931243 1066088060 /nfs/dbraw/zinc/08/80/60/1066088060.db2.gz NQXVMCXPSNZKID-OAQYLSRUSA-N 0 0 459.400 4.967 20 0 JJADRN Cc1c(Br)csc1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442054064 1066088120 /nfs/dbraw/zinc/08/81/20/1066088120.db2.gz SEYIVMJDJQKCJV-LBPRGKRZSA-N 0 0 458.219 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC001442069240 1066089846 /nfs/dbraw/zinc/08/98/46/1066089846.db2.gz GGCROJLWDKPJQX-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCCCO ZINC001360932712 1066090303 /nfs/dbraw/zinc/09/03/03/1066090303.db2.gz QPJWEWNMENWBGE-OAHLLOKOSA-N 0 0 477.725 4.648 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1ccnc1C ZINC001360933192 1066091016 /nfs/dbraw/zinc/09/10/16/1066091016.db2.gz XVVABDLGBFKJNS-UHFFFAOYSA-N 0 0 469.387 4.841 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCCN(C)c2ccc(F)cc21 ZINC001360933286 1066091707 /nfs/dbraw/zinc/09/17/07/1066091707.db2.gz DZLGPOKKBLSLAB-UHFFFAOYSA-N 0 0 454.523 4.984 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc[nH]c(=O)c1Br ZINC001442083264 1066091850 /nfs/dbraw/zinc/09/18/50/1066091850.db2.gz WQHZJYQHQYUPAB-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001360934259 1066092204 /nfs/dbraw/zinc/09/22/04/1066092204.db2.gz ZGVAHAXMZGABPH-KRWDZBQOSA-N 0 0 458.002 4.974 20 0 JJADRN C[C@@H](COc1cccc(F)c1)NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001442086558 1066092279 /nfs/dbraw/zinc/09/22/79/1066092279.db2.gz AOPIHLHLVYFXHM-AWEZNQCLSA-N 0 0 453.461 4.706 20 0 JJADRN Cc1cc(C(=O)NCCCCN(C)c2ccccc2)c(I)cc1Cl ZINC001442095193 1066092628 /nfs/dbraw/zinc/09/26/28/1066092628.db2.gz PCABLUKBWBYYKS-UHFFFAOYSA-N 0 0 456.755 4.899 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC001442095865 1066092649 /nfs/dbraw/zinc/09/26/49/1066092649.db2.gz QDWMOXXRELODAA-DNFYBWMMSA-N 0 0 455.599 4.556 20 0 JJADRN C[C@H]1CN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccccc2)O1 ZINC001442101557 1066093031 /nfs/dbraw/zinc/09/30/31/1066093031.db2.gz DKCDSZILAOZIAH-WMZOPIPTSA-N 0 0 456.505 4.555 20 0 JJADRN CCN(CC)C(=O)C1(NC(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)CCCCC1 ZINC001442098785 1066093062 /nfs/dbraw/zinc/09/30/62/1066093062.db2.gz VOOXZVWTANBXSE-UHFFFAOYSA-N 0 0 453.583 4.749 20 0 JJADRN C[C@H]1CN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccccc2)O1 ZINC001442101549 1066093097 /nfs/dbraw/zinc/09/30/97/1066093097.db2.gz DKCDSZILAOZIAH-FUHWJXTLSA-N 0 0 456.505 4.555 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@H](C)C2)cnn1C ZINC001360934701 1066093292 /nfs/dbraw/zinc/09/32/92/1066093292.db2.gz INGNKBZSPMDOAK-ZBFHGGJFSA-N 0 0 493.475 4.653 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)cnn1C ZINC001360934945 1066093933 /nfs/dbraw/zinc/09/39/33/1066093933.db2.gz RIDRQVQHSHWPQY-XMMPIXPASA-N 0 0 457.022 4.608 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360935082 1066094396 /nfs/dbraw/zinc/09/43/96/1066094396.db2.gz WFXIANCUQBTUCM-OAHLLOKOSA-N 0 0 474.993 4.787 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1 ZINC001360935078 1066094472 /nfs/dbraw/zinc/09/44/72/1066094472.db2.gz WFOOBAKBRROUDJ-LBPRGKRZSA-N 0 0 470.487 4.924 20 0 JJADRN COc1ccccc1Nc1ncccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001442110265 1066094659 /nfs/dbraw/zinc/09/46/59/1066094659.db2.gz FHHIMSVSAKLZDY-UHFFFAOYSA-N 0 0 451.954 4.965 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCSCC(C)C)cnn1C ZINC001360935196 1066094750 /nfs/dbraw/zinc/09/47/50/1066094750.db2.gz WRGQORNDRGTTIA-UHFFFAOYSA-N 0 0 477.476 4.775 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442111396 1066095008 /nfs/dbraw/zinc/09/50/08/1066095008.db2.gz ZTZWJINLXDMWNS-MRXNPFEDSA-N 0 0 450.402 4.607 20 0 JJADRN C[C@@H]1CN(Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)CCO1 ZINC001442111646 1066095036 /nfs/dbraw/zinc/09/50/36/1066095036.db2.gz JNLIZSQPTXFHSL-QGZVFWFLSA-N 0 0 456.011 4.538 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360935634 1066095667 /nfs/dbraw/zinc/09/56/67/1066095667.db2.gz RLRYURXFRGBOTE-SJLPKXTDSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3)n2CCCNc2ccc(C(F)(F)F)cn2)cnn1C ZINC001360935806 1066095691 /nfs/dbraw/zinc/09/56/91/1066095691.db2.gz XRNSOIQIOYPCDG-UHFFFAOYSA-N 0 0 484.530 4.539 20 0 JJADRN O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC001360936284 1066095906 /nfs/dbraw/zinc/09/59/06/1066095906.db2.gz ROPLLALSOHRIOX-UHFFFAOYSA-N 0 0 454.439 4.648 20 0 JJADRN O=C(/C=C/c1ccc(Cl)nc1)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC001360936260 1066096030 /nfs/dbraw/zinc/09/60/30/1066096030.db2.gz QTTMVIZNPMOVPB-WEVVVXLNSA-N 0 0 457.715 4.797 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001442114775 1066096093 /nfs/dbraw/zinc/09/60/93/1066096093.db2.gz DUCGTGODFYGCPZ-HSZRJFAPSA-N 0 0 451.611 4.799 20 0 JJADRN COc1cc2ncc(C(=O)N[C@@H](c3ccsc3)c3ccc(Cl)cc3)c(O)c2c(OC)c1 ZINC001442119224 1066096387 /nfs/dbraw/zinc/09/63/87/1066096387.db2.gz ICFSHPXACVCCTL-OAQYLSRUSA-N 0 0 454.935 4.780 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)cnn1C ZINC001360937006 1066096428 /nfs/dbraw/zinc/09/64/28/1066096428.db2.gz JIWKQAJNWWEBRO-IBGZPJMESA-N 0 0 461.467 4.573 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360937653 1066096675 /nfs/dbraw/zinc/09/66/75/1066096675.db2.gz XEQROMMYMBIWOH-LJQANCHMSA-N 0 0 466.586 4.525 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc[nH]2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001360937408 1066096699 /nfs/dbraw/zinc/09/66/99/1066096699.db2.gz QXBJHJNTWQKTJD-UHFFFAOYSA-N 0 0 476.532 4.591 20 0 JJADRN C[C@H]1C[C@H](NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001360937547 1066096740 /nfs/dbraw/zinc/09/67/40/1066096740.db2.gz MOJUENTZJVUTGJ-LIRRHRJNSA-N 0 0 459.493 4.682 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC001360937528 1066096853 /nfs/dbraw/zinc/09/68/53/1066096853.db2.gz MJIMJQCKUDQRTM-IIBYNOLFSA-N 0 0 450.970 4.882 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)CC2 ZINC001442121853 1066096773 /nfs/dbraw/zinc/09/67/73/1066096773.db2.gz MMNNGUPTPZJSCF-DEOSSOPVSA-N 0 0 456.995 4.683 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC(F)F ZINC001360938608 1066097077 /nfs/dbraw/zinc/09/70/77/1066097077.db2.gz STGQOXZXMZNKHU-UHFFFAOYSA-N 0 0 460.510 4.631 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)cc1 ZINC001442133353 1066097286 /nfs/dbraw/zinc/09/72/86/1066097286.db2.gz VLQNYRNTOLJEAX-QGZVFWFLSA-N 0 0 453.564 4.635 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c2ccc(F)cc2)cc1 ZINC001442141670 1066097736 /nfs/dbraw/zinc/09/77/36/1066097736.db2.gz AZSAVBPSQRIEEL-BHDDXSALSA-N 0 0 456.558 4.979 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c2ccc(F)cc2)cc1 ZINC001442141681 1066097767 /nfs/dbraw/zinc/09/77/67/1066097767.db2.gz AZSAVBPSQRIEEL-FDFHNCONSA-N 0 0 456.558 4.979 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1 ZINC001360940601 1066097801 /nfs/dbraw/zinc/09/78/01/1066097801.db2.gz HTRIWJQCZONADP-ZWKOTPCHSA-N 0 0 492.715 4.547 20 0 JJADRN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1Oc1ccncc1 ZINC001442153282 1066097976 /nfs/dbraw/zinc/09/79/76/1066097976.db2.gz OWAUNTCMIYQMNL-QGZVFWFLSA-N 0 0 452.352 4.893 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)cnn1C ZINC001360941114 1066097946 /nfs/dbraw/zinc/09/79/46/1066097946.db2.gz MUEFVTLSURHXGJ-SESVDKBCSA-N 0 0 485.677 4.507 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001442164285 1066098889 /nfs/dbraw/zinc/09/88/89/1066098889.db2.gz ZKGGFVPPFIGOJF-SFHVURJKSA-N 0 0 457.412 4.956 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1C ZINC001360943570 1066098858 /nfs/dbraw/zinc/09/88/58/1066098858.db2.gz AAINLXKPLSHGSV-QFUCXCTJSA-N 0 0 473.618 4.561 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001360943840 1066098917 /nfs/dbraw/zinc/09/89/17/1066098917.db2.gz FCUVOTJKAJLWSP-QGZVFWFLSA-N 0 0 464.680 4.817 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001360944802 1066099628 /nfs/dbraw/zinc/09/96/28/1066099628.db2.gz JQMNCNLAZAMXJS-MRXNPFEDSA-N 0 0 488.633 4.570 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360944777 1066099765 /nfs/dbraw/zinc/09/97/65/1066099765.db2.gz IWUGQUZLTBYZHS-XXBNENTESA-N 0 0 457.619 4.861 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC001442191469 1066101227 /nfs/dbraw/zinc/10/12/27/1066101227.db2.gz NQTZKDSAMHZIAP-UHFFFAOYSA-N 0 0 457.543 4.800 20 0 JJADRN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(Cl)c(I)c1 ZINC001360946540 1066101260 /nfs/dbraw/zinc/10/12/60/1066101260.db2.gz RNQDYXFRCLSPBD-UHFFFAOYSA-N 0 0 450.088 4.855 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)c(F)c2)c(N)c1 ZINC001442191226 1066101325 /nfs/dbraw/zinc/10/13/25/1066101325.db2.gz ZQBZATSRVGGRIK-UHFFFAOYSA-N 0 0 458.511 4.563 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC001442190465 1066101460 /nfs/dbraw/zinc/10/14/60/1066101460.db2.gz YGYIMKUHJXACBH-HUUCEWRRSA-N 0 0 476.415 4.899 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360946608 1066101311 /nfs/dbraw/zinc/10/13/11/1066101311.db2.gz MCBUANBYDHTIJX-KRWDZBQOSA-N 0 0 473.643 4.971 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CSCCS1 ZINC001360947294 1066101931 /nfs/dbraw/zinc/10/19/31/1066101931.db2.gz GLCOLCWWODMUNQ-IBGZPJMESA-N 0 0 459.710 4.703 20 0 JJADRN CC[C@]1(c2ccc(NC(=O)CSCc3ccc(C(C)(C)C)cc3)cc2)CCC(=O)NC1=O ZINC001442206451 1066101983 /nfs/dbraw/zinc/10/19/83/1066101983.db2.gz BYWKYEUOSHPGKK-AREMUKBSSA-N 0 0 452.620 4.940 20 0 JJADRN Cc1[nH]nc2ncc(NC(=O)c3ccccc3SCC(=O)NC3CCCCCCC3)cc12 ZINC001442205403 1066101997 /nfs/dbraw/zinc/10/19/97/1066101997.db2.gz YBAQMUBUVLRWTQ-UHFFFAOYSA-N 0 0 451.596 4.840 20 0 JJADRN CCOC(=O)N1CSC[C@@H]1C(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001442210233 1066102400 /nfs/dbraw/zinc/10/24/00/1066102400.db2.gz NVNLKAXVCGVNQY-QGZVFWFLSA-N 0 0 456.486 4.845 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)c(OC[C@H]2CCCO2)c1 ZINC001442208883 1066102413 /nfs/dbraw/zinc/10/24/13/1066102413.db2.gz OOXZEFZQVGDBNK-LLVKDONJSA-N 0 0 458.150 4.658 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001360947378 1066102361 /nfs/dbraw/zinc/10/23/61/1066102361.db2.gz JPGYQTKDMUYSLZ-UYAOXDASSA-N 0 0 455.628 4.506 20 0 JJADRN COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc43)c(F)c2)n(C)n1 ZINC001360948122 1066103031 /nfs/dbraw/zinc/10/30/31/1066103031.db2.gz LRCSHRLCPTZACG-UHFFFAOYSA-N 0 0 454.845 4.592 20 0 JJADRN Cc1sc(CNC(=O)c2cc(Br)c(=O)[nH]c2C)nc1-c1ccc(Cl)cc1 ZINC001442216342 1066103046 /nfs/dbraw/zinc/10/30/46/1066103046.db2.gz BPOSDCDRAQAODG-UHFFFAOYSA-N 0 0 452.761 4.873 20 0 JJADRN CCNC(=O)NC1(C(=O)N(CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCCC1 ZINC001442212764 1066103063 /nfs/dbraw/zinc/10/30/63/1066103063.db2.gz WLBMHYZLPXJHNG-UHFFFAOYSA-N 0 0 451.489 4.946 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)COc3cccc(I)c3)sc2C1 ZINC001360948353 1066103677 /nfs/dbraw/zinc/10/36/77/1066103677.db2.gz TUPSIOKFGSONNJ-GFCCVEGCSA-N 0 0 456.349 4.670 20 0 JJADRN Cc1sc(CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)nc1-c1ccc(Cl)cc1 ZINC001442225190 1066103661 /nfs/dbraw/zinc/10/36/61/1066103661.db2.gz WRFXEZCHRIHYOV-HSZRJFAPSA-N 0 0 456.011 4.586 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(Cl)s2)cnn1C ZINC001360949293 1066103766 /nfs/dbraw/zinc/10/37/66/1066103766.db2.gz BIKNWEMMGHJOJV-UHFFFAOYSA-N 0 0 477.421 4.952 20 0 JJADRN Cc1occc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCC(=O)N(C)C ZINC001360949374 1066104190 /nfs/dbraw/zinc/10/41/90/1066104190.db2.gz DQHYFJUGTJWQSJ-UHFFFAOYSA-N 0 0 462.019 4.630 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)cnn1C ZINC001360949310 1066104239 /nfs/dbraw/zinc/10/42/39/1066104239.db2.gz BUOVRNQSEWFCFL-QFQXNSOFSA-N 0 0 494.684 4.894 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1CCC1CC1 ZINC001360949352 1066104275 /nfs/dbraw/zinc/10/42/75/1066104275.db2.gz DAHONPLOHGGZKW-UHFFFAOYSA-N 0 0 462.417 4.821 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)c2ccc(Nc3nc(C)cs3)cc2)CCOCC1 ZINC001442225908 1066104318 /nfs/dbraw/zinc/10/43/18/1066104318.db2.gz FPDPHHMYMALPMN-UHFFFAOYSA-N 0 0 451.592 4.990 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)[C@H](C)Sc2nc3ccccc3s2)CCOCC1 ZINC001442226937 1066104352 /nfs/dbraw/zinc/10/43/52/1066104352.db2.gz MQRGYXZMFCKLJG-KRWDZBQOSA-N 0 0 456.633 4.959 20 0 JJADRN Cc1c(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCCOC(F)(F)F)cnn1C ZINC001360949506 1066104812 /nfs/dbraw/zinc/10/48/12/1066104812.db2.gz JDHOYOOAOOMRHM-UHFFFAOYSA-N 0 0 488.967 4.829 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCOC1 ZINC001360949568 1066105588 /nfs/dbraw/zinc/10/55/88/1066105588.db2.gz LIOKJXGSSPDRAS-HNNXBMFYSA-N 0 0 482.437 4.992 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccn1 ZINC001360949544 1066105609 /nfs/dbraw/zinc/10/56/09/1066105609.db2.gz KMSBIFVAHDQIGP-WIYYLYMNSA-N 0 0 468.671 4.971 20 0 JJADRN COCCCCN(Cc1ccccc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC001442235773 1066105734 /nfs/dbraw/zinc/10/57/34/1066105734.db2.gz WEOUZWUQLCNQGS-FQEVSTJZSA-N 0 0 455.599 4.869 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3NCC(F)(F)F)CCOCC2)cc1 ZINC001442232726 1066105966 /nfs/dbraw/zinc/10/59/66/1066105966.db2.gz AZEDAHGTIXRHGH-UHFFFAOYSA-N 0 0 456.892 4.801 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1F ZINC001360949712 1066106237 /nfs/dbraw/zinc/10/62/37/1066106237.db2.gz QIAHITQHYMBEMO-YLJYHZDGSA-N 0 0 461.582 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001442240074 1066106452 /nfs/dbraw/zinc/10/64/52/1066106452.db2.gz TWTIAAXTPGHPBZ-XXBNENTESA-N 0 0 451.007 4.730 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001442240063 1066106586 /nfs/dbraw/zinc/10/65/86/1066106586.db2.gz TWTIAAXTPGHPBZ-WMZHIEFXSA-N 0 0 451.007 4.730 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360949760 1066106810 /nfs/dbraw/zinc/10/68/10/1066106810.db2.gz RWSSJENWMAAWNO-QGZVFWFLSA-N 0 0 487.576 4.789 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC001360949795 1066106930 /nfs/dbraw/zinc/10/69/30/1066106930.db2.gz SZAZFBAOGOQCNP-INIZCTEOSA-N 0 0 450.033 4.804 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1 ZINC001442241144 1066107336 /nfs/dbraw/zinc/10/73/36/1066107336.db2.gz WSHMKQCEVDFXGR-UYAOXDASSA-N 0 0 458.599 4.769 20 0 JJADRN Cc1occc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNC(=O)C(C)C ZINC001360949914 1066107549 /nfs/dbraw/zinc/10/75/49/1066107549.db2.gz YHWNYQJETVJEDX-UHFFFAOYSA-N 0 0 462.019 4.534 20 0 JJADRN CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001442247982 1066107906 /nfs/dbraw/zinc/10/79/06/1066107906.db2.gz GINYQBNHIZXZQW-QGZVFWFLSA-N 0 0 456.539 4.905 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001442247494 1066107936 /nfs/dbraw/zinc/10/79/36/1066107936.db2.gz PEAUWCPKIHMOEV-FGZHOGPDSA-N 0 0 450.922 4.547 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC001442246358 1066107949 /nfs/dbraw/zinc/10/79/49/1066107949.db2.gz CMKZTEVTNKDSTO-MRXNPFEDSA-N 0 0 452.507 4.827 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001360951199 1066108036 /nfs/dbraw/zinc/10/80/36/1066108036.db2.gz QHCGFIQKPRXKEP-HXUWFJFHSA-N 0 0 458.505 4.520 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1CCCCO1 ZINC001360950479 1066108108 /nfs/dbraw/zinc/10/81/08/1066108108.db2.gz MYTQJRWSTLMLPI-QHAWAJNXSA-N 0 0 473.618 4.546 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOc1cccc(F)c1 ZINC001360950501 1066108140 /nfs/dbraw/zinc/10/81/40/1066108140.db2.gz NJWUUCIQXOHAEF-TYKWCNGQSA-N 0 0 499.587 4.805 20 0 JJADRN C[C@@H]1c2ccc(C(=O)NCCc3ccccc3C(F)(F)F)n2CCN1C(=O)OC(C)(C)C ZINC001442252871 1066108376 /nfs/dbraw/zinc/10/83/76/1066108376.db2.gz USZZFZJFULIMLT-OAHLLOKOSA-N 0 0 451.489 4.791 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)cc1Cl ZINC001442254778 1066109024 /nfs/dbraw/zinc/10/90/24/1066109024.db2.gz FKQDCMNXSVECJJ-UHFFFAOYSA-N 0 0 453.930 4.588 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCN(CCc3cccs3)CC2)cs1 ZINC001442261622 1066109519 /nfs/dbraw/zinc/10/95/19/1066109519.db2.gz JVMCDFUMOLVQCC-UHFFFAOYSA-N 0 0 457.640 4.984 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953203 1066109614 /nfs/dbraw/zinc/10/96/14/1066109614.db2.gz BNILTCFTDDJSJD-CKDIWJPDSA-N 0 0 451.972 4.593 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001442265447 1066110261 /nfs/dbraw/zinc/11/02/61/1066110261.db2.gz JEZOMJPVLGRYBZ-HXUWFJFHSA-N 0 0 457.640 4.556 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953977 1066110354 /nfs/dbraw/zinc/11/03/54/1066110354.db2.gz MJBKVWJKILPKGS-INIZCTEOSA-N 0 0 453.988 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC001442267453 1066110716 /nfs/dbraw/zinc/11/07/16/1066110716.db2.gz SJNOZTUOWOBGEN-QHCPKHFHSA-N 0 0 452.979 4.752 20 0 JJADRN CC(C)(C)c1ccc2cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)[nH]c2c1 ZINC001442268001 1066110860 /nfs/dbraw/zinc/11/08/60/1066110860.db2.gz UWUFHSSXPPPOFN-UHFFFAOYSA-N 0 0 453.608 4.570 20 0 JJADRN O=C(Nc1ccc(N2CCSCC2)cc1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001360953983 1066110952 /nfs/dbraw/zinc/11/09/52/1066110952.db2.gz MKUXZJSUWGDXDA-AWEZNQCLSA-N 0 0 450.391 4.538 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442281720 1066111203 /nfs/dbraw/zinc/11/12/03/1066111203.db2.gz BECKKXCXEICCIK-JXAWBTAJSA-N 0 0 454.851 4.800 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360955745 1066111971 /nfs/dbraw/zinc/11/19/71/1066111971.db2.gz HBWOJUXMJMQDIO-LVCYWYKZSA-N 0 0 499.587 4.856 20 0 JJADRN C[C@](O)(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC001442296481 1066112509 /nfs/dbraw/zinc/11/25/09/1066112509.db2.gz MFKOKJCUWKCYAI-HYBUGGRVSA-N 0 0 454.339 4.970 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)c3cccnc3OCC(F)(F)F)cc2)n1 ZINC001360956226 1066112537 /nfs/dbraw/zinc/11/25/37/1066112537.db2.gz ICKBWELYXFEWBF-UHFFFAOYSA-N 0 0 451.401 4.501 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(F)c(Br)c1 ZINC001360956083 1066112594 /nfs/dbraw/zinc/11/25/94/1066112594.db2.gz YNFVYRYUZVWOBU-UHFFFAOYSA-N 0 0 459.153 4.821 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1oc2ccc(F)cc2c1C ZINC001360955877 1066112618 /nfs/dbraw/zinc/11/26/18/1066112618.db2.gz HLKRKTNGAGOBDZ-SFHVURJKSA-N 0 0 457.550 4.664 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C(=O)OC)cc1 ZINC001442298741 1066112773 /nfs/dbraw/zinc/11/27/73/1066112773.db2.gz JXFZNTIZDXBIES-QAPCUYQASA-N 0 0 452.378 4.719 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442300036 1066113510 /nfs/dbraw/zinc/11/35/10/1066113510.db2.gz SMZFVVGOXIKXFW-AVRDEDQJSA-N 0 0 451.405 4.833 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)cnn1CC(C)C ZINC001360957166 1066113535 /nfs/dbraw/zinc/11/35/35/1066113535.db2.gz VJCPDINCTISDMR-PKOBYXMFSA-N 0 0 473.021 4.506 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360956797 1066113562 /nfs/dbraw/zinc/11/35/62/1066113562.db2.gz QMXUBLKEACRQMQ-KBPBESRZSA-N 0 0 468.961 4.761 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c(OC)c1 ZINC001360956886 1066113597 /nfs/dbraw/zinc/11/35/97/1066113597.db2.gz UWDFXPLZDSCIHY-VOTSOKGWSA-N 0 0 452.507 4.972 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442300044 1066113620 /nfs/dbraw/zinc/11/36/20/1066113620.db2.gz SMZFVVGOXIKXFW-PGRDOPGGSA-N 0 0 451.405 4.833 20 0 JJADRN CC(=O)Nc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)ccc1Cl ZINC001442302635 1066113927 /nfs/dbraw/zinc/11/39/27/1066113927.db2.gz AVXBJTTUGOCTFP-SFHVURJKSA-N 0 0 453.873 4.781 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360957785 1066113966 /nfs/dbraw/zinc/11/39/66/1066113966.db2.gz AYINEXRNJJKFJP-KRWDZBQOSA-N 0 0 458.031 4.710 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCS[C@@H](C)C2)cnn1CC(C)C ZINC001360957221 1066114013 /nfs/dbraw/zinc/11/40/13/1066114013.db2.gz WUVLMMSLHYKFOD-PKOBYXMFSA-N 0 0 472.634 4.708 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001360958165 1066114540 /nfs/dbraw/zinc/11/45/40/1066114540.db2.gz YLSLPPQVOVUQKQ-UHFFFAOYSA-N 0 0 457.155 4.945 20 0 JJADRN CC(C)(C)c1cnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC001360957839 1066114635 /nfs/dbraw/zinc/11/46/35/1066114635.db2.gz QRHPHASAWNZINA-UHFFFAOYSA-N 0 0 456.033 4.911 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC001442304927 1066114614 /nfs/dbraw/zinc/11/46/14/1066114614.db2.gz WCBDXWJZJQDSLX-HRAATJIYSA-N 0 0 453.995 4.849 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCOCc1ccccc1 ZINC001360958259 1066115105 /nfs/dbraw/zinc/11/51/05/1066115105.db2.gz JIHDZESTNZOKRO-UHFFFAOYSA-N 0 0 484.398 4.649 20 0 JJADRN Cc1ccc(S[C@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc2)c(C)c1 ZINC001442306583 1066115235 /nfs/dbraw/zinc/11/52/35/1066115235.db2.gz NHZKVUJZBYQXKR-QPPBQGQZSA-N 0 0 450.579 4.736 20 0 JJADRN Cc1c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)cnn1CC(C)C ZINC001360958808 1066115703 /nfs/dbraw/zinc/11/57/03/1066115703.db2.gz UMEQSVMOMHCIHE-UHFFFAOYSA-N 0 0 482.430 4.881 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC001360959008 1066116208 /nfs/dbraw/zinc/11/62/08/1066116208.db2.gz NYCUUCOTDDTOJK-CLMIBMGISA-N 0 0 463.380 4.806 20 0 JJADRN CC(C)Cn1ccc2cc(NC(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)ccc21 ZINC001442327720 1066116541 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APSXZXJUYSFKMQ-GOSISDBHSA-N 0 0 459.546 4.764 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(C)C)C1 ZINC001360960679 1066120148 /nfs/dbraw/zinc/12/01/48/1066120148.db2.gz VSBIRVVKWGRNLV-ZDUSSCGKSA-N 0 0 465.396 4.537 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)Cc1ccccc1 ZINC001442367601 1066120304 /nfs/dbraw/zinc/12/03/04/1066120304.db2.gz MXUOFAQXYQTSHA-JOCHJYFZSA-N 0 0 459.546 4.791 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442370570 1066120848 /nfs/dbraw/zinc/12/08/48/1066120848.db2.gz BCWZDYKYSJCXDZ-XUVXKRRUSA-N 0 0 459.631 4.912 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2c(F)cccc2Br)CC1 ZINC001442367997 1066120959 /nfs/dbraw/zinc/12/09/59/1066120959.db2.gz YYMMZBDZSVSYMQ-UHFFFAOYSA-N 0 0 454.727 4.622 20 0 JJADRN C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Oc1ccccc1Cl ZINC001360961891 1066121201 /nfs/dbraw/zinc/12/12/01/1066121201.db2.gz RFPQGPRTFWOMRB-OAHLLOKOSA-N 0 0 456.391 4.664 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)c1sc(-c2ccc(OCC)cc2)nc1C)Cc1ccccc1 ZINC001442372873 1066121390 /nfs/dbraw/zinc/12/13/90/1066121390.db2.gz ZUSCWUNEQLBVAZ-HXUWFJFHSA-N 0 0 452.576 4.669 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccccc2Br)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360962420 1066121778 /nfs/dbraw/zinc/12/17/78/1066121778.db2.gz DNGNWFFCBADPBP-UHFFFAOYSA-N 0 0 486.226 4.815 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962482 1066121663 /nfs/dbraw/zinc/12/16/63/1066121663.db2.gz GUOUWEFFUZDFMZ-QZTJIDSGSA-N 0 0 469.561 4.773 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccccc2Br)nnc1N1CCC(C(C)C)CC1 ZINC001360962384 1066121742 /nfs/dbraw/zinc/12/17/42/1066121742.db2.gz CDXLRYOWIUZKFG-UHFFFAOYSA-N 0 0 461.433 4.788 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545948831 1066122034 /nfs/dbraw/zinc/12/20/34/1066122034.db2.gz XYALSWHKDQIZCQ-YJMBLLCNSA-N 0 0 496.656 4.685 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)cnn1CC(C)C ZINC001360962783 1066122277 /nfs/dbraw/zinc/12/22/77/1066122277.db2.gz QXMCCHJWDLVOAM-XMMPIXPASA-N 0 0 490.574 4.684 20 0 JJADRN C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360963235 1066122824 /nfs/dbraw/zinc/12/28/24/1066122824.db2.gz CIVBWFQPSMBPDN-QFBILLFUSA-N 0 0 457.546 4.767 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360962911 1066122837 /nfs/dbraw/zinc/12/28/37/1066122837.db2.gz WLRCVRVWTFAFSL-KRWDZBQOSA-N 0 0 471.989 4.994 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001442390376 1066123028 /nfs/dbraw/zinc/12/30/28/1066123028.db2.gz CNJXYDYNUKGGBS-TZIWHRDSSA-N 0 0 453.311 4.605 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC001442394131 1066123679 /nfs/dbraw/zinc/12/36/79/1066123679.db2.gz HYZXPIQKAJJCAE-RTBURBONSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1ccsc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360966493 1066123922 /nfs/dbraw/zinc/12/39/22/1066123922.db2.gz UZLWEXKVEFRBQL-UHFFFAOYSA-N 0 0 499.685 4.570 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)NCC3(c4ccccc4Br)CC3)n2)ccc1F ZINC001360967370 1066124539 /nfs/dbraw/zinc/12/45/39/1066124539.db2.gz FLGQQAIFJWNBKY-UHFFFAOYSA-N 0 0 458.331 4.727 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967803 1066124913 /nfs/dbraw/zinc/12/49/13/1066124913.db2.gz QIGXMPJIEUMFPG-OAQYLSRUSA-N 0 0 499.704 4.886 20 0 JJADRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)C(C)(C)c1ccccc1 ZINC001360967759 1066125059 /nfs/dbraw/zinc/12/50/59/1066125059.db2.gz MPEBFTLDPZGKFI-NRFANRHFSA-N 0 0 451.032 4.855 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)cc2s1 ZINC001442403042 1066125064 /nfs/dbraw/zinc/12/50/64/1066125064.db2.gz UYUQTQZSWOSDAS-UHFFFAOYSA-N 0 0 450.561 4.840 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967802 1066125075 /nfs/dbraw/zinc/12/50/75/1066125075.db2.gz QIGXMPJIEUMFPG-NRFANRHFSA-N 0 0 499.704 4.886 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(Oc4ccccc4F)nc3)CC2)cs1 ZINC001442404296 1066125205 /nfs/dbraw/zinc/12/52/05/1066125205.db2.gz UACWNSOLSWFRRR-UHFFFAOYSA-N 0 0 454.571 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC1 ZINC001360968224 1066125625 /nfs/dbraw/zinc/12/56/25/1066125625.db2.gz SREZECQJPFMLAW-HNNXBMFYSA-N 0 0 454.445 4.878 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001360968125 1066125627 /nfs/dbraw/zinc/12/56/27/1066125627.db2.gz ULXYUJBFKXNGTM-LEWJYISDSA-N 0 0 487.645 4.594 20 0 JJADRN Cc1csc2ncc(C(=O)NCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(=O)n12 ZINC001360969324 1066126053 /nfs/dbraw/zinc/12/60/53/1066126053.db2.gz PBAHDGAKYOOCAW-UHFFFAOYSA-N 0 0 459.449 4.806 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C2=O)cc1 ZINC001360969558 1066126545 /nfs/dbraw/zinc/12/65/45/1066126545.db2.gz VZOYCIUXKARXCS-OAQYLSRUSA-N 0 0 453.995 4.550 20 0 JJADRN Cc1nnsc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC(C)CC1 ZINC001360971153 1066127011 /nfs/dbraw/zinc/12/70/11/1066127011.db2.gz PGZAAVUVNPHBDV-UHFFFAOYSA-N 0 0 489.690 4.616 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cccc(OCCCOC)c1C ZINC001360970277 1066127029 /nfs/dbraw/zinc/12/70/29/1066127029.db2.gz HYTFBGDGWZNLBE-UHFFFAOYSA-N 0 0 450.329 4.602 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001442454357 1066127358 /nfs/dbraw/zinc/12/73/58/1066127358.db2.gz XSJQYSVRZRWRIP-LLVKDONJSA-N 0 0 452.274 4.604 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)cnn1C ZINC001360971938 1066128166 /nfs/dbraw/zinc/12/81/66/1066128166.db2.gz KKBLDAYEAAJGIY-GOSISDBHSA-N 0 0 455.676 4.921 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n[nH]c1C(F)(F)F ZINC001442471382 1066128368 /nfs/dbraw/zinc/12/83/68/1066128368.db2.gz TWPPISGWCIJAGQ-CYBMUJFWSA-N 0 0 458.440 4.603 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F ZINC001360972269 1066128540 /nfs/dbraw/zinc/12/85/40/1066128540.db2.gz SQMFHCXCDCGZGL-UHFFFAOYSA-N 0 0 475.519 4.602 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360972714 1066129129 /nfs/dbraw/zinc/12/91/29/1066129129.db2.gz IYBCXUMJTSPEEG-CALCHBBNSA-N 0 0 474.625 4.687 20 0 JJADRN Cc1c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)cnn1CC(C)C ZINC001360972659 1066129151 /nfs/dbraw/zinc/12/91/51/1066129151.db2.gz GZSLPAMEXSXUAL-LJQANCHMSA-N 0 0 471.049 4.735 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001442471948 1066129211 /nfs/dbraw/zinc/12/92/11/1066129211.db2.gz NERQSPFHFYBFBJ-FDFHNCONSA-N 0 0 468.594 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC001442473015 1066129217 /nfs/dbraw/zinc/12/92/17/1066129217.db2.gz GKFUEXMQXSPNOF-OAQYLSRUSA-N 0 0 457.615 4.857 20 0 JJADRN Cc1c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)cnn1CC(C)C ZINC001360972658 1066129239 /nfs/dbraw/zinc/12/92/39/1066129239.db2.gz GZSLPAMEXSXUAL-IBGZPJMESA-N 0 0 471.049 4.735 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001360973268 1066129666 /nfs/dbraw/zinc/12/96/66/1066129666.db2.gz DEBYERXPSVGYMG-PMERELPUSA-N 0 0 456.662 4.722 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(F)c(F)c3)C2)cnn1CC(C)C ZINC001360972930 1066129684 /nfs/dbraw/zinc/12/96/84/1066129684.db2.gz QOKXGTWTOHHJMI-QHCPKHFHSA-N 0 0 472.584 4.542 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001360973269 1066129714 /nfs/dbraw/zinc/12/97/14/1066129714.db2.gz DEBYERXPSVGYMG-SSEXGKCCSA-N 0 0 456.662 4.722 20 0 JJADRN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1ccccc1NCc1ccco1 ZINC001442473526 1066129760 /nfs/dbraw/zinc/12/97/60/1066129760.db2.gz MEKBKWIDAVTOEA-UHFFFAOYSA-N 0 0 452.312 4.546 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001442474765 1066129769 /nfs/dbraw/zinc/12/97/69/1066129769.db2.gz LYLQSRWUCNNEJH-UZUQRXQVSA-N 0 0 456.558 4.737 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001360972946 1066129746 /nfs/dbraw/zinc/12/97/46/1066129746.db2.gz RDFNDRPOKILHRA-UHFFFAOYSA-N 0 0 452.628 4.685 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc(Br)c(C)[nH]c2=O)cc1 ZINC001442475984 1066130299 /nfs/dbraw/zinc/13/02/99/1066130299.db2.gz QDLPERIGPVHBBU-FQEVSTJZSA-N 0 0 459.315 4.720 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442476003 1066130347 /nfs/dbraw/zinc/13/03/47/1066130347.db2.gz STVCLUULFDEDGL-QUCCMNQESA-N 0 0 457.615 4.843 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccn2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001360974058 1066130629 /nfs/dbraw/zinc/13/06/29/1066130629.db2.gz LKCKEONXWHKYCV-UHFFFAOYSA-N 0 0 451.571 4.727 20 0 JJADRN Cc1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(C)n1C1CCOCC1 ZINC001442479310 1066130813 /nfs/dbraw/zinc/13/08/13/1066130813.db2.gz XDTNGGBNBWJLDU-QHCPKHFHSA-N 0 0 459.631 4.708 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC001442495643 1066131547 /nfs/dbraw/zinc/13/15/47/1066131547.db2.gz FLFZCZCYCSGUAC-UHFFFAOYSA-N 0 0 451.567 4.913 20 0 JJADRN Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC001360975706 1066131712 /nfs/dbraw/zinc/13/17/12/1066131712.db2.gz CPFVTTYHLBKWEF-UHFFFAOYSA-N 0 0 456.371 4.679 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1 ZINC001442507553 1066132078 /nfs/dbraw/zinc/13/20/78/1066132078.db2.gz LUECIYIHIKOGLF-LHSJRXKWSA-N 0 0 452.498 4.582 20 0 JJADRN Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC(C)(C)C)oc2ccccc12 ZINC001360976255 1066132094 /nfs/dbraw/zinc/13/20/94/1066132094.db2.gz DXVXJGDTXYOQLJ-UHFFFAOYSA-N 0 0 451.596 4.855 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccco1 ZINC001360976778 1066132685 /nfs/dbraw/zinc/13/26/85/1066132685.db2.gz SXAMVOKUSQZBSR-UHFFFAOYSA-N 0 0 452.584 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(Br)cc1Cl)c1ccccc1 ZINC001442527010 1066132994 /nfs/dbraw/zinc/13/29/94/1066132994.db2.gz SYOHYTSDECDSJI-KRWDZBQOSA-N 0 0 453.764 4.985 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360977036 1066133735 /nfs/dbraw/zinc/13/37/35/1066133735.db2.gz BYKBFYCMZLDXPR-QFIPXVFZSA-N 0 0 498.546 4.944 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C(C)C)C2)cnn1C ZINC001360977090 1066133765 /nfs/dbraw/zinc/13/37/65/1066133765.db2.gz DLWDEDUPVWEZAU-HXUWFJFHSA-N 0 0 477.103 4.892 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360977134 1066134087 /nfs/dbraw/zinc/13/40/87/1066134087.db2.gz FMWAUYWIYFNPIF-MRXNPFEDSA-N 0 0 483.922 4.533 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2cccn2)CC1)Oc1ccccc1F ZINC001545949686 1066134112 /nfs/dbraw/zinc/13/41/12/1066134112.db2.gz CJSNQLCSCWGKAR-PZJWPPBQSA-N 0 0 454.594 4.901 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC(C)(C)OC(C)(C)C2)cnn1C ZINC001360977222 1066134291 /nfs/dbraw/zinc/13/42/91/1066134291.db2.gz IVGGSLXGBIZSEZ-UHFFFAOYSA-N 0 0 493.439 4.648 20 0 JJADRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(I)cc1F ZINC001442543578 1066134766 /nfs/dbraw/zinc/13/47/66/1066134766.db2.gz ZNPOMRXAIMNJKQ-DNVCBOLYSA-N 0 0 453.295 4.670 20 0 JJADRN Cc1ccsc1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360977567 1066135130 /nfs/dbraw/zinc/13/51/30/1066135130.db2.gz VFJXRIMQFLZLFM-HSZRJFAPSA-N 0 0 462.566 4.652 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)cnn1CC(C)C ZINC001360977565 1066135179 /nfs/dbraw/zinc/13/51/79/1066135179.db2.gz UZNGNDHCJQETHO-RBUKOAKNSA-N 0 0 454.594 4.688 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001442544870 1066135161 /nfs/dbraw/zinc/13/51/61/1066135161.db2.gz JZZSDTIIWHGEMW-VXKWHMMOSA-N 0 0 450.583 4.846 20 0 JJADRN Cc1c(Cn2c(N(C)CC3CCCCC3)nnc2[C@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001360977680 1066135783 /nfs/dbraw/zinc/13/57/83/1066135783.db2.gz YSQJFBKAPSCLEY-SANMLTNESA-N 0 0 472.678 4.544 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001360978129 1066135994 /nfs/dbraw/zinc/13/59/94/1066135994.db2.gz MDONGOPGBMRDAQ-UONOGXRCSA-N 0 0 451.365 4.738 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c2ccccc2Cl)c(OC)c1 ZINC001360978079 1066136099 /nfs/dbraw/zinc/13/60/99/1066136099.db2.gz KXLHEWABMUCUEE-GSHUGGBRSA-N 0 0 459.970 4.931 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)nn1 ZINC001442551152 1066136283 /nfs/dbraw/zinc/13/62/83/1066136283.db2.gz UUNJRJFBPLBFCZ-DHIUTWEWSA-N 0 0 450.583 4.846 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)nn1 ZINC001442551161 1066136308 /nfs/dbraw/zinc/13/63/08/1066136308.db2.gz UUNJRJFBPLBFCZ-GOTSBHOMSA-N 0 0 450.583 4.846 20 0 JJADRN COC(=O)c1ccc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c(F)c1 ZINC001360978315 1066136710 /nfs/dbraw/zinc/13/67/10/1066136710.db2.gz SHXRXGGXTKFQEO-JOCHJYFZSA-N 0 0 457.885 4.802 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360978693 1066137116 /nfs/dbraw/zinc/13/71/16/1066137116.db2.gz CPDWOMWDKPITFS-WOVMCDHWSA-N 0 0 481.519 4.697 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 ZINC001360979422 1066137563 /nfs/dbraw/zinc/13/75/63/1066137563.db2.gz ORKKFHJPICWZIC-IFMALSPDSA-N 0 0 456.562 4.801 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360978930 1066137621 /nfs/dbraw/zinc/13/76/21/1066137621.db2.gz GZPDIJOEMFSAFJ-WZGPROSRSA-N 0 0 459.660 4.949 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1C(C)(C)C ZINC001360979365 1066137629 /nfs/dbraw/zinc/13/76/29/1066137629.db2.gz NAYAUYJYMJZFRM-UHFFFAOYSA-N 0 0 451.615 4.762 20 0 JJADRN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(OCC2CCCCC2)cc1 ZINC001442555989 1066137851 /nfs/dbraw/zinc/13/78/51/1066137851.db2.gz YNGKODNFSIFHOV-UHFFFAOYSA-N 0 0 450.988 4.606 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)Oc1ccccc1F ZINC001545949921 1066137858 /nfs/dbraw/zinc/13/78/58/1066137858.db2.gz HOYPYLNZWQTDAX-RTBURBONSA-N 0 0 471.552 4.980 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)CCc2cc(Br)c(Br)s2)C1(C)C ZINC001360979758 1066137984 /nfs/dbraw/zinc/13/79/84/1066137984.db2.gz MDIFNNGXQBDOAI-QWHCGFSZSA-N 0 0 453.240 4.868 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C ZINC001360979785 1066138039 /nfs/dbraw/zinc/13/80/39/1066138039.db2.gz VPABSFVYASUYRG-GOSISDBHSA-N 0 0 469.605 4.806 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C ZINC001360979788 1066138074 /nfs/dbraw/zinc/13/80/74/1066138074.db2.gz VPABSFVYASUYRG-SFHVURJKSA-N 0 0 469.605 4.806 20 0 JJADRN O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001442563921 1066138366 /nfs/dbraw/zinc/13/83/66/1066138366.db2.gz BUSXUAUROUDLAH-GOSISDBHSA-N 0 0 455.986 4.951 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC001442562012 1066138467 /nfs/dbraw/zinc/13/84/67/1066138467.db2.gz NYDJYFIJFYVSPD-HXUWFJFHSA-N 0 0 451.567 4.767 20 0 JJADRN Cc1cccc(C(C)(C)CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1 ZINC001442567340 1066139025 /nfs/dbraw/zinc/13/90/25/1066139025.db2.gz AITLTDIXPYREQU-UHFFFAOYSA-N 0 0 454.567 4.951 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NC3(c4cccc(F)c4)CCOCC3)CC2(Cl)Cl)cc1 ZINC001360980885 1066139093 /nfs/dbraw/zinc/13/90/93/1066139093.db2.gz DKWSINLTQHQCQV-JOCHJYFZSA-N 0 0 452.353 4.862 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)NCc1csc(Br)c1)N2C(=O)OC(C)(C)C ZINC001442576190 1066140268 /nfs/dbraw/zinc/14/02/68/1066140268.db2.gz XLBQUECMUHYSFC-INIZCTEOSA-N 0 0 451.386 4.802 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)C1 ZINC001442586973 1066141373 /nfs/dbraw/zinc/14/13/73/1066141373.db2.gz RRYAXWWSSXZDGU-GOSISDBHSA-N 0 0 450.023 4.873 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360982332 1066141564 /nfs/dbraw/zinc/14/15/64/1066141564.db2.gz JABMYNZRJZKBKL-CTNGQTDRSA-N 0 0 474.049 4.661 20 0 JJADRN CC[C@H](C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545950142 1066141697 /nfs/dbraw/zinc/14/16/97/1066141697.db2.gz LOTCKMCVBIPFNJ-RXVVDRJESA-N 0 0 499.656 4.900 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545950143 1066141763 /nfs/dbraw/zinc/14/17/63/1066141763.db2.gz LOTCKMCVBIPFNJ-WIYYLYMNSA-N 0 0 499.656 4.900 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360982549 1066142231 /nfs/dbraw/zinc/14/22/31/1066142231.db2.gz ONFZJPSZZVVPKF-INIZCTEOSA-N 0 0 494.846 4.700 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001360982660 1066142719 /nfs/dbraw/zinc/14/27/19/1066142719.db2.gz RDRKDVNUKCNMPY-UHFFFAOYSA-N 0 0 460.022 4.907 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360982711 1066142761 /nfs/dbraw/zinc/14/27/61/1066142761.db2.gz SSIDZETUFAEIJQ-SFHVURJKSA-N 0 0 489.945 4.552 20 0 JJADRN O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1cc(Cl)cc(F)c1Br ZINC001442597156 1066142886 /nfs/dbraw/zinc/14/28/86/1066142886.db2.gz VMPMKMLZKKRSKI-UHFFFAOYSA-N 0 0 459.706 4.906 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1OC ZINC001360983077 1066143162 /nfs/dbraw/zinc/14/31/62/1066143162.db2.gz DPYYUBHXNRYHOL-LJQANCHMSA-N 0 0 459.546 4.600 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545950293 1066143366 /nfs/dbraw/zinc/14/33/66/1066143366.db2.gz NSFLWQOYTYQECK-FPOVZHCZSA-N 0 0 459.610 4.913 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001442606948 1066143977 /nfs/dbraw/zinc/14/39/77/1066143977.db2.gz DBISDLMXSDEWBB-FXCLAUTBSA-N 0 0 453.421 4.970 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC001442607302 1066144293 /nfs/dbraw/zinc/14/42/93/1066144293.db2.gz JDSDZQZBDJQBRC-FQEVSTJZSA-N 0 0 455.377 4.865 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCCCCC1 ZINC001360984014 1066144878 /nfs/dbraw/zinc/14/48/78/1066144878.db2.gz KSJAEFVPUKKETE-UHFFFAOYSA-N 0 0 452.990 4.635 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442612043 1066144949 /nfs/dbraw/zinc/14/49/49/1066144949.db2.gz CVIIMHWXRGLGHN-FFZOFVMBSA-N 0 0 451.325 4.522 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)OC1CCCC1 ZINC001360984213 1066145215 /nfs/dbraw/zinc/14/52/15/1066145215.db2.gz PDZKHEMCQVFZRD-UHFFFAOYSA-N 0 0 468.989 4.565 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001442613670 1066145315 /nfs/dbraw/zinc/14/53/15/1066145315.db2.gz PJLQFJHUQGVSFQ-UHFFFAOYSA-N 0 0 456.262 4.929 20 0 JJADRN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC001442615817 1066145324 /nfs/dbraw/zinc/14/53/24/1066145324.db2.gz NYZMRRPGDREDLF-UHFFFAOYSA-N 0 0 458.292 4.975 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1C ZINC001360984323 1066145681 /nfs/dbraw/zinc/14/56/81/1066145681.db2.gz SEJNGARPTJOBPL-CQSZACIVSA-N 0 0 459.381 4.973 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC1CCCC1 ZINC001360984342 1066145717 /nfs/dbraw/zinc/14/57/17/1066145717.db2.gz SWVIQEKUNZYMID-UHFFFAOYSA-N 0 0 467.017 4.881 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001360984402 1066146197 /nfs/dbraw/zinc/14/61/97/1066146197.db2.gz VXEYUTSAEPPGNG-UHFFFAOYSA-N 0 0 489.668 4.773 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C(C)(C)C ZINC001360984472 1066146268 /nfs/dbraw/zinc/14/62/68/1066146268.db2.gz XXXAXEVMWJWJKY-IBGZPJMESA-N 0 0 462.038 4.818 20 0 JJADRN COCCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O)C1CCCC1 ZINC001442651437 1066146858 /nfs/dbraw/zinc/14/68/58/1066146858.db2.gz RCIVCKGDQNKEES-UHFFFAOYSA-N 0 0 451.350 4.983 20 0 JJADRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)C1 ZINC001442655589 1066147445 /nfs/dbraw/zinc/14/74/45/1066147445.db2.gz BXECSJJOICOPCI-HKUYNNGSSA-N 0 0 451.449 4.870 20 0 JJADRN Cc1ccc(C2=CCN(C(=O)c3cnn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)CC2)cc1 ZINC001442657546 1066147524 /nfs/dbraw/zinc/14/75/24/1066147524.db2.gz PZRXDZOSCYVWGX-HSZRJFAPSA-N 0 0 450.583 4.693 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCSCC(F)(F)F ZINC001360985567 1066147873 /nfs/dbraw/zinc/14/78/73/1066147873.db2.gz FQCDEASJAUPBLX-QGZVFWFLSA-N 0 0 485.576 4.507 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)Cc1cccs1 ZINC001360985632 1066148520 /nfs/dbraw/zinc/14/85/20/1066148520.db2.gz HGUXNORKOCBWBX-RXVVDRJESA-N 0 0 481.666 4.804 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)c2)n1 ZINC001442660453 1066148894 /nfs/dbraw/zinc/14/88/94/1066148894.db2.gz MPURRWQZQGKQJB-OAQYLSRUSA-N 0 0 450.514 4.503 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1cccnc1)C(C)C ZINC001360985820 1066149040 /nfs/dbraw/zinc/14/90/40/1066149040.db2.gz MOBYLZYACUEZQU-HSZRJFAPSA-N 0 0 483.620 4.867 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCCOC1CCCCC1 ZINC001360985842 1066149136 /nfs/dbraw/zinc/14/91/36/1066149136.db2.gz MYSVPRBALCKFSN-UHFFFAOYSA-N 0 0 478.641 4.715 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442667742 1066149975 /nfs/dbraw/zinc/14/99/75/1066149975.db2.gz MTCNACWSZQJEJL-MRXNPFEDSA-N 0 0 451.317 4.603 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001360986237 1066150199 /nfs/dbraw/zinc/15/01/99/1066150199.db2.gz YGSFAJGSYBVTHG-XUZZJYLKSA-N 0 0 453.631 4.689 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1 ZINC001360986122 1066150258 /nfs/dbraw/zinc/15/02/58/1066150258.db2.gz USSYQLQKOWEQGP-IBGZPJMESA-N 0 0 467.639 4.513 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)s1 ZINC001360986084 1066150264 /nfs/dbraw/zinc/15/02/64/1066150264.db2.gz SZWRCGWRKPPNJI-UHFFFAOYSA-N 0 0 466.998 4.795 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1O ZINC001442671389 1066150672 /nfs/dbraw/zinc/15/06/72/1066150672.db2.gz XYYUBLZMOSNCDA-GOSISDBHSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3c(ccc(Br)c3C)[nH]2)cc1 ZINC001442677535 1066151368 /nfs/dbraw/zinc/15/13/68/1066151368.db2.gz MNGODGPNOXHOKY-LJQANCHMSA-N 0 0 458.381 4.701 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@H]1CCC(=O)N1 ZINC001360986327 1066151457 /nfs/dbraw/zinc/15/14/57/1066151457.db2.gz AUPGOBZNBOLTOQ-ZIFCJYIRSA-N 0 0 471.989 4.757 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc(Br)c1O ZINC001442690914 1066151875 /nfs/dbraw/zinc/15/18/75/1066151875.db2.gz FUAZPNULBAZNQW-JQBOLYQISA-N 0 0 456.258 4.868 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)C)n1Cc1ccc(C)n(C)c1=O ZINC001360986434 1066152041 /nfs/dbraw/zinc/15/20/41/1066152041.db2.gz CWUHLFYTEAXHCZ-IBGZPJMESA-N 0 0 472.033 4.836 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001360986461 1066152075 /nfs/dbraw/zinc/15/20/75/1066152075.db2.gz DIVULVRGYHJQBT-SIKLNZKXSA-N 0 0 487.048 4.899 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1CC[C@@H]1CCOC1 ZINC001360986391 1066152201 /nfs/dbraw/zinc/15/22/01/1066152201.db2.gz CDJFVYBPZAQJAR-RBUKOAKNSA-N 0 0 471.005 4.541 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCc2ccc(Oc3ccccc3)nc2)cs1 ZINC001442701574 1066152531 /nfs/dbraw/zinc/15/25/31/1066152531.db2.gz JUAVRWMSPGPANY-OAHLLOKOSA-N 0 0 454.552 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)COC1(C)C ZINC001442698572 1066152552 /nfs/dbraw/zinc/15/25/52/1066152552.db2.gz VOLPQPAQYCRBLC-UWWQBHOKSA-N 0 0 456.505 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)COC1(C)C ZINC001442698566 1066152598 /nfs/dbraw/zinc/15/25/98/1066152598.db2.gz VOLPQPAQYCRBLC-HFTRVMKXSA-N 0 0 456.505 4.830 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CC(C)(C)O ZINC001360986532 1066152589 /nfs/dbraw/zinc/15/25/89/1066152589.db2.gz GBEQVJJWUZWASX-YLJYHZDGSA-N 0 0 487.048 4.707 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)s1 ZINC001360986550 1066152696 /nfs/dbraw/zinc/15/26/96/1066152696.db2.gz GMVMPPRHKZBXLY-UHFFFAOYSA-N 0 0 481.025 4.719 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1ccnc(OC2CCCCC2)c1 ZINC001442706656 1066153136 /nfs/dbraw/zinc/15/31/36/1066153136.db2.gz UHYDVZYUXBHWSI-UHFFFAOYSA-N 0 0 456.896 4.979 20 0 JJADRN COc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1O ZINC001442703366 1066153186 /nfs/dbraw/zinc/15/31/86/1066153186.db2.gz JRLYOURDNDDTPS-UHFFFAOYSA-N 0 0 450.922 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001442703133 1066153225 /nfs/dbraw/zinc/15/32/25/1066153225.db2.gz NMVFLVQTMASQNS-HSZRJFAPSA-N 0 0 450.579 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cccs2)n1C[C@]1(C)CN(C)C1=O ZINC001360986632 1066153303 /nfs/dbraw/zinc/15/33/03/1066153303.db2.gz ISJOSRSKOMAIMI-OSPHWJPCSA-N 0 0 488.057 4.865 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@@H]1OCCC1(C)C ZINC001360986647 1066153632 /nfs/dbraw/zinc/15/36/32/1066153632.db2.gz JDZKHTOCQQFRQJ-HOJAQTOUSA-N 0 0 463.022 4.729 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 ZINC001442709352 1066153641 /nfs/dbraw/zinc/15/36/41/1066153641.db2.gz OVRVVCRAUFHTCX-HYHKQLJDSA-N 0 0 450.560 4.767 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccccn2)n1CCCC1CCCC1 ZINC001360986737 1066154279 /nfs/dbraw/zinc/15/42/79/1066154279.db2.gz KXZHVHKDSZCESL-UHFFFAOYSA-N 0 0 460.626 4.926 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001442712053 1066154589 /nfs/dbraw/zinc/15/45/89/1066154589.db2.gz YLKVHBCDNMLIHI-LULLPPNCSA-N 0 0 479.415 4.909 20 0 JJADRN C[C@@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Br)s1 ZINC001442720941 1066155255 /nfs/dbraw/zinc/15/52/55/1066155255.db2.gz KTSFNCXDKOOKPD-MRVPVSSYSA-N 0 0 456.163 4.800 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC001442720500 1066155338 /nfs/dbraw/zinc/15/53/38/1066155338.db2.gz ILGAWTVJKYGSFR-QFBILLFUSA-N 0 0 481.431 4.655 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC1([S@](C)=O)CC1 ZINC001360986912 1066155589 /nfs/dbraw/zinc/15/55/89/1066155589.db2.gz OQPTYKXAGMQJGQ-UEDRIHCFSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)(C)C)n1CCNC(=O)C(C)C ZINC001360986940 1066155975 /nfs/dbraw/zinc/15/59/75/1066155975.db2.gz PVSWUZMBUXUNGF-GOSISDBHSA-N 0 0 464.054 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC001442727697 1066156125 /nfs/dbraw/zinc/15/61/25/1066156125.db2.gz XWSILWTWOUCDAK-BVZFJXPGSA-N 0 0 453.587 4.745 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCC2)n1CCNC(=O)c1ccco1 ZINC001360987042 1066156328 /nfs/dbraw/zinc/15/63/28/1066156328.db2.gz RDNRITGZRUUHTQ-SFHVURJKSA-N 0 0 486.016 4.948 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001360987054 1066156329 /nfs/dbraw/zinc/15/63/29/1066156329.db2.gz RHZWLKHBSXPGJC-IRLDBZIGSA-N 0 0 453.631 4.518 20 0 JJADRN O=C(CCSc1ccnc2cc(Cl)ccc21)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001442736470 1066156373 /nfs/dbraw/zinc/15/63/73/1066156373.db2.gz WMYNKTGQEZBSTJ-IBGZPJMESA-N 0 0 453.995 4.791 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC001442732147 1066156385 /nfs/dbraw/zinc/15/63/85/1066156385.db2.gz XDARUAWAOKZEIV-QFBILLFUSA-N 0 0 481.431 4.655 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCC1(C)CC1 ZINC001360987083 1066156727 /nfs/dbraw/zinc/15/67/27/1066156727.db2.gz RWRAUXOSKJUTHP-ZWKOTPCHSA-N 0 0 483.078 4.748 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1)OC ZINC001545951624 1066156891 /nfs/dbraw/zinc/15/68/91/1066156891.db2.gz AJYARJFQZFLNOP-NQIIRXRSSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnccn2)n1C[C@H]1CCCCO1 ZINC001360987104 1066156969 /nfs/dbraw/zinc/15/69/69/1066156969.db2.gz SGHBRLZPFBZENG-WIYYLYMNSA-N 0 0 471.005 4.684 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC001442754788 1066157081 /nfs/dbraw/zinc/15/70/81/1066157081.db2.gz IUJZBIKZHSEAAO-UHFFFAOYSA-N 0 0 459.612 4.887 20 0 JJADRN CC[C@H](CNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC001442757782 1066157511 /nfs/dbraw/zinc/15/75/11/1066157511.db2.gz RJGJJSVNNSYINL-JOCHJYFZSA-N 0 0 450.604 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H]1C[C@H]1C ZINC001360987191 1066157602 /nfs/dbraw/zinc/15/76/02/1066157602.db2.gz UOTOQUNWWNPLKS-HBRVENNYSA-N 0 0 483.078 4.602 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001360987310 1066158353 /nfs/dbraw/zinc/15/83/53/1066158353.db2.gz AXBGHGFNJZNVRF-UHFFFAOYSA-N 0 0 452.938 4.811 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001442767905 1066158662 /nfs/dbraw/zinc/15/86/62/1066158662.db2.gz QACCRANZJSPTKO-HNNXBMFYSA-N 0 0 458.436 4.856 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001442769733 1066159016 /nfs/dbraw/zinc/15/90/16/1066159016.db2.gz QHQCAHULSQKXRW-QRRJMBGHSA-N 0 0 456.867 4.859 20 0 JJADRN CN(C(=O)c1cccc(OCc2cccc(Cl)c2)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360988693 1066159095 /nfs/dbraw/zinc/15/90/95/1066159095.db2.gz NFRGLOGGPVSESE-QHCPKHFHSA-N 0 0 452.913 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360989168 1066159450 /nfs/dbraw/zinc/15/94/50/1066159450.db2.gz ADRZOZHSBWPMGO-FUHWJXTLSA-N 0 0 496.002 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CC[S@](=O)C(C)(C)C ZINC001360989190 1066159498 /nfs/dbraw/zinc/15/94/98/1066159498.db2.gz AIRJDCVNQLNQNN-ZQHDKMAOSA-N 0 0 453.052 4.836 20 0 JJADRN COc1cccc(COC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1OC(F)F ZINC001360989102 1066159511 /nfs/dbraw/zinc/15/95/11/1066159511.db2.gz YSFFLXZMICXEEC-UHFFFAOYSA-N 0 0 459.474 4.972 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@H]1CCCCO1 ZINC001360989217 1066159793 /nfs/dbraw/zinc/15/97/93/1066159793.db2.gz AVHWOLACHGKXMH-CTAFRAEOSA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCCO1 ZINC001360989220 1066159824 /nfs/dbraw/zinc/15/98/24/1066159824.db2.gz AVHWOLACHGKXMH-RCLSDMTESA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCCO1 ZINC001360989219 1066159829 /nfs/dbraw/zinc/15/98/29/1066159829.db2.gz AVHWOLACHGKXMH-HUUJSLGLSA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1[C@H]1C[C@H]1C ZINC001360989238 1066160043 /nfs/dbraw/zinc/16/00/43/1066160043.db2.gz BFEIOSQGOHLZMJ-ZTQAJYAQSA-N 0 0 460.022 4.751 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC(C)(C)C(C)C ZINC001360989258 1066160057 /nfs/dbraw/zinc/16/00/57/1066160057.db2.gz BQVQZSWLGRBVQU-UYAOXDASSA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CC[C@H](C)C1 ZINC001360989296 1066160074 /nfs/dbraw/zinc/16/00/74/1066160074.db2.gz CEEZZQZUZDAATH-PWIZWCRZSA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CC[C@H](C)C1 ZINC001360989294 1066160093 /nfs/dbraw/zinc/16/00/93/1066160093.db2.gz CEEZZQZUZDAATH-DBVUQKKJSA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccn(C)n1 ZINC001360989315 1066160479 /nfs/dbraw/zinc/16/04/79/1066160479.db2.gz CLAZBYYRBUYDRL-KFKAGJAMSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCC1(O)CCOCC1 ZINC001360989388 1066161162 /nfs/dbraw/zinc/16/11/62/1066161162.db2.gz DJFGFMRGWMAPIZ-SLFFLAALSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CCC1(O)CCOCC1 ZINC001360989387 1066161215 /nfs/dbraw/zinc/16/12/15/1066161215.db2.gz DJFGFMRGWMAPIZ-HSALFYBXSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCc1ccn(C)n1 ZINC001360989538 1066161838 /nfs/dbraw/zinc/16/18/38/1066161838.db2.gz GTCRYVVJZHUIPK-VQIMIIECSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1C[C@@H]1CCSC1 ZINC001360989531 1066161893 /nfs/dbraw/zinc/16/18/93/1066161893.db2.gz GSQGPYNPXDOIFS-MOPGFXCFSA-N 0 0 475.062 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@]1(C)COCCO1 ZINC001360989520 1066161947 /nfs/dbraw/zinc/16/19/47/1066161947.db2.gz GNZAYDGNJUGLMO-YBJWPOLQSA-N 0 0 495.089 4.824 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC[C@@H]1COCCO1 ZINC001360989598 1066162084 /nfs/dbraw/zinc/16/20/84/1066162084.db2.gz HQQCRQPMOLPGSG-FUHWJXTLSA-N 0 0 490.954 4.882 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1CCCC1 ZINC001360989547 1066162088 /nfs/dbraw/zinc/16/20/88/1066162088.db2.gz GXQLIYQXKOBEKT-QUCCMNQESA-N 0 0 474.049 4.970 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CCOC(C)(C)C ZINC001360989590 1066162096 /nfs/dbraw/zinc/16/20/96/1066162096.db2.gz HOKXHKDYKKGEPN-NEWSRXKRSA-N 0 0 493.004 4.618 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(CCC(C)C)C2CC2)n1C[C@@]1(O)CCOC1 ZINC001360989677 1066162825 /nfs/dbraw/zinc/16/28/25/1066162825.db2.gz JAWZWEZFHHMUEM-CLOONOSVSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360989687 1066163208 /nfs/dbraw/zinc/16/32/08/1066163208.db2.gz JBNHHCKIBRTERL-GUDVDZBRSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]2C2CCC2)n1CCC(=O)N(C)C ZINC001360989728 1066163505 /nfs/dbraw/zinc/16/35/05/1066163505.db2.gz KAHZWNYJBWJYSO-NQIIRXRSSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H]1CCCOC1 ZINC001360989952 1066164588 /nfs/dbraw/zinc/16/45/88/1066164588.db2.gz NSSGVUBNQHXDHG-QKNQBKEWSA-N 0 0 463.022 4.730 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H]1CCCCS1 ZINC001360990001 1066164881 /nfs/dbraw/zinc/16/48/81/1066164881.db2.gz OMVBKTFZBXFWOG-ROMRWMGNSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCC(=O)N(C)C ZINC001360989964 1066164921 /nfs/dbraw/zinc/16/49/21/1066164921.db2.gz NUAMJYDFORPISM-SVFBPWRDSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H]1CCCCS1 ZINC001360990004 1066164957 /nfs/dbraw/zinc/16/49/57/1066164957.db2.gz OMVBKTFZBXFWOG-YJLYGGOZSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC2CC2)n1Cc1ccc(C)n(C)c1=O ZINC001360989998 1066164975 /nfs/dbraw/zinc/16/49/75/1066164975.db2.gz OKRYIORKMYSTQD-LJQANCHMSA-N 0 0 484.044 4.980 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCC2)n1CC1([S@@](C)=O)CC1 ZINC001360990092 1066164990 /nfs/dbraw/zinc/16/49/90/1066164990.db2.gz PVAINVUUZLLXOO-WTPASJBYSA-N 0 0 465.063 4.980 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC(C)(C)C(F)(F)F ZINC001360990028 1066165200 /nfs/dbraw/zinc/16/52/00/1066165200.db2.gz PAMBEZUATHSYIK-LSDHHAIUSA-N 0 0 487.954 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1=CCCCC1 ZINC001360990132 1066165776 /nfs/dbraw/zinc/16/57/76/1066165776.db2.gz QCCSKZMMDUWGTG-ICSRJNTNSA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C1CC1 ZINC001360990151 1066166220 /nfs/dbraw/zinc/16/62/20/1066166220.db2.gz QIKUEYVXLUAJBO-HNNXBMFYSA-N 0 0 499.965 4.918 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001360990179 1066166260 /nfs/dbraw/zinc/16/62/60/1066166260.db2.gz QRJMIUWKDUJTNP-HOYKHHGWSA-N 0 0 460.022 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCc2cnccn2)n1CCc1ccccn1 ZINC001360990170 1066166293 /nfs/dbraw/zinc/16/62/93/1066166293.db2.gz QNPXNPVLAPBJDL-HXUWFJFHSA-N 0 0 492.027 4.795 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCC(C)C ZINC001360990228 1066166503 /nfs/dbraw/zinc/16/65/03/1066166503.db2.gz RLHBAYWYSQTYTH-SVFBPWRDSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CO)CC2)n1CCc1cccnc1 ZINC001360990274 1066167047 /nfs/dbraw/zinc/16/70/47/1066167047.db2.gz RYMCCMDAPGAONR-LJQANCHMSA-N 0 0 470.017 4.535 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CCC(F)(F)CC1 ZINC001360990312 1066167251 /nfs/dbraw/zinc/16/72/51/1066167251.db2.gz SUHJIDIHFOPVSC-FUHWJXTLSA-N 0 0 496.002 4.825 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1CC1CCCC1 ZINC001360990286 1066167311 /nfs/dbraw/zinc/16/73/11/1066167311.db2.gz SCEWBNGIECJTKL-HXUWFJFHSA-N 0 0 476.065 4.647 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCNC(=O)C(C)C)n1CC1(C)CC1 ZINC001360990494 1066167774 /nfs/dbraw/zinc/16/77/74/1066167774.db2.gz WIRVAGAVGQALIM-SFHVURJKSA-N 0 0 462.038 4.697 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCC1(O)CCC1 ZINC001360990543 1066167996 /nfs/dbraw/zinc/16/79/96/1066167996.db2.gz XCWWWJZFYXBACK-INIZCTEOSA-N 0 0 454.949 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC(C)C ZINC001360990581 1066168251 /nfs/dbraw/zinc/16/82/51/1066168251.db2.gz XOUZLMBPMGQRPT-MOPGFXCFSA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC1CC1 ZINC001360990626 1066168432 /nfs/dbraw/zinc/16/84/32/1066168432.db2.gz YJUSCIKQFOSIPT-NQIIRXRSSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC1CC1 ZINC001360990621 1066168484 /nfs/dbraw/zinc/16/84/84/1066168484.db2.gz YFXGMNRDINDBDN-KRWDZBQOSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCOC(C)(C)C ZINC001360990617 1066168490 /nfs/dbraw/zinc/16/84/90/1066168490.db2.gz YFJNJWNBFMQEST-MOPGFXCFSA-N 0 0 492.064 4.595 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCSC(C)C ZINC001360990633 1066168705 /nfs/dbraw/zinc/16/87/05/1066168705.db2.gz YOAXQMRCYIMRON-GAJHUEQPSA-N 0 0 480.078 4.532 20 0 JJADRN C[C@H]1CN(C(=O)[C@H](c2ccncc2)C2CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990729 1066168739 /nfs/dbraw/zinc/16/87/39/1066168739.db2.gz CGXAWZKEVZFZBJ-DFBJGRDBSA-N 0 0 454.014 4.701 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)CC2)n1CCCN1CCOC1=O ZINC001360990831 1066168995 /nfs/dbraw/zinc/16/89/95/1066168995.db2.gz ZTLVBLZGSCZDCA-KRWDZBQOSA-N 0 0 497.974 4.766 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)Cc2coc3ccccc23)c2ccc(Cl)cc2)c1 ZINC001360990915 1066169223 /nfs/dbraw/zinc/16/92/23/1066169223.db2.gz FXNCKOBMNSCNSX-DEOSSOPVSA-N 0 0 453.947 4.938 20 0 JJADRN C[C@@H]1CN(C(=O)c2coc(-c3ccccc3Cl)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990985 1066169279 /nfs/dbraw/zinc/16/92/79/1066169279.db2.gz IGBTZZKKLKDLCZ-OAHLLOKOSA-N 0 0 458.345 4.564 20 0 JJADRN C[C@H](c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1)C(F)(F)F ZINC001360991071 1066169476 /nfs/dbraw/zinc/16/94/76/1066169476.db2.gz KYHHSDQZYJJNTK-JKSUJKDBSA-N 0 0 452.904 4.921 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2ccn(C)n2)n1CCC(=O)N1CCCCC1 ZINC001360991446 1066169750 /nfs/dbraw/zinc/16/97/50/1066169750.db2.gz CNTQZQMKWRSDIV-SFHVURJKSA-N 0 0 486.020 4.568 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOCCC(C)C ZINC001360991423 1066169783 /nfs/dbraw/zinc/16/97/83/1066169783.db2.gz CBCWQMZLXAIGGF-AGHHOFFYSA-N 0 0 479.065 4.958 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)c(C)o1 ZINC001360991624 1066170249 /nfs/dbraw/zinc/17/02/49/1066170249.db2.gz DGMZPFRBTJPYAV-UHFFFAOYSA-N 0 0 473.980 4.589 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1[C@@H]1C[C@@H]1C ZINC001360991651 1066170258 /nfs/dbraw/zinc/17/02/58/1066170258.db2.gz DQZOFWRFVZIGHP-QKYXUNIQSA-N 0 0 474.049 4.964 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1[C@H]1C[C@H]1C ZINC001360991653 1066170552 /nfs/dbraw/zinc/17/05/52/1066170552.db2.gz DQZOFWRFVZIGHP-ZTNFWEORSA-N 0 0 474.049 4.964 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCSC(C)C ZINC001360991948 1066170777 /nfs/dbraw/zinc/17/07/77/1066170777.db2.gz HHEBDIVSWYUZFG-SFHVURJKSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1CCc1ccccn1 ZINC001360991852 1066170781 /nfs/dbraw/zinc/17/07/81/1066170781.db2.gz FZJIKFSLJYOCKU-VQTJNVASSA-N 0 0 470.017 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1CCc1ccccn1 ZINC001360991853 1066170802 /nfs/dbraw/zinc/17/08/02/1066170802.db2.gz FZJIKFSLJYOCKU-WOJBJXKFSA-N 0 0 470.017 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360992207 1066171299 /nfs/dbraw/zinc/17/12/99/1066171299.db2.gz KSNGUQSDBQTEBK-ROUUACIJSA-N 0 0 496.002 4.792 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC1(O)CCC1 ZINC001360992283 1066171506 /nfs/dbraw/zinc/17/15/06/1066171506.db2.gz MIQZLIXGXLDVHW-TZIWHRDSSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCC1(O)CCC1 ZINC001360992280 1066171549 /nfs/dbraw/zinc/17/15/49/1066171549.db2.gz MIQZLIXGXLDVHW-CTNGQTDRSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001360992685 1066171988 /nfs/dbraw/zinc/17/19/88/1066171988.db2.gz RBCGKZFZCHJHCK-FTEYMNFISA-N 0 0 478.012 4.528 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC(=O)NC(C)C ZINC001360992761 1066172321 /nfs/dbraw/zinc/17/23/21/1066172321.db2.gz TWLQHRCGPDTDLS-OALUTQOASA-N 0 0 492.064 4.607 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1(C)CCC1 ZINC001360993155 1066173389 /nfs/dbraw/zinc/17/33/89/1066173389.db2.gz ZKZLZXSYTGWAOV-ZWKOTPCHSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)C)n3CC(C)(C)c3ccc(F)cc3)CC2)c(C)o1 ZINC001360994287 1066173554 /nfs/dbraw/zinc/17/35/54/1066173554.db2.gz GQMYLZIXBRIVSR-UHFFFAOYSA-N 0 0 467.589 4.691 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)no1 ZINC001360994462 1066173565 /nfs/dbraw/zinc/17/35/65/1066173565.db2.gz MZABKGBHKQCNFS-NVXWUHKLSA-N 0 0 482.551 4.564 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCc3c(C)cccc3C)CC2)c(C)o1 ZINC001360994308 1066173583 /nfs/dbraw/zinc/17/35/83/1066173583.db2.gz GZPIUWJTMVHPIZ-UHFFFAOYSA-N 0 0 477.653 4.898 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3Cc3cccc(OCC(C)C)c3)CC2)c(C)o1 ZINC001360994378 1066173605 /nfs/dbraw/zinc/17/36/05/1066173605.db2.gz JJXXAEHIEZWCMY-UHFFFAOYSA-N 0 0 493.652 4.732 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC4CCCC4)n3CC(C)(C)C(C)C)CC2)c(C)o1 ZINC001360994716 1066173831 /nfs/dbraw/zinc/17/38/31/1066173831.db2.gz YCAXYPGDGKBIHH-UHFFFAOYSA-N 0 0 455.647 4.865 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC(F)(F)C3)CC2)c(C)o1 ZINC001360995404 1066174276 /nfs/dbraw/zinc/17/42/76/1066174276.db2.gz UWHCKFXWDHLLEP-GOSISDBHSA-N 0 0 477.600 4.911 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)cc3)CC2)c(C)o1 ZINC001360995393 1066174294 /nfs/dbraw/zinc/17/42/94/1066174294.db2.gz UPJVSLUKGMVBSC-UHFFFAOYSA-N 0 0 487.551 4.660 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC(F)(F)C3)CC2)c(C)o1 ZINC001360995611 1066174558 /nfs/dbraw/zinc/17/45/58/1066174558.db2.gz YZOXJUXTPBSDCK-GOSISDBHSA-N 0 0 463.573 4.521 20 0 JJADRN COC[C@@](C)(CC(=O)OC)NC(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001360995685 1066174870 /nfs/dbraw/zinc/17/48/70/1066174870.db2.gz KOXWLOINQFZAAR-OAQYLSRUSA-N 0 0 456.391 4.984 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001360996908 1066175394 /nfs/dbraw/zinc/17/53/94/1066175394.db2.gz WAICIPHXWXDBNB-WMZHIEFXSA-N 0 0 453.583 4.896 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)c(C)o1 ZINC001360997153 1066175685 /nfs/dbraw/zinc/17/56/85/1066175685.db2.gz BPBMQAAEKCBZDA-HHHXNRCGSA-N 0 0 476.625 4.730 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C(C)C)C2)c(C)o1 ZINC001360997489 1066176116 /nfs/dbraw/zinc/17/61/16/1066176116.db2.gz IMEWPWRLIMLOHA-CVDCTZTESA-N 0 0 476.046 4.689 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C)C2)c(C)o1 ZINC001360997843 1066176624 /nfs/dbraw/zinc/17/66/24/1066176624.db2.gz PAUYPWZIGHQYEX-RCDICMHDSA-N 0 0 465.381 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOCC2)c(C)o1 ZINC001360997863 1066176835 /nfs/dbraw/zinc/17/68/35/1066176835.db2.gz PIAJTIGNQMFXQJ-UQBPGWFLSA-N 0 0 489.016 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)c(C)o1 ZINC001360999804 1066178172 /nfs/dbraw/zinc/17/81/72/1066178172.db2.gz ORTVHIOMCITSQQ-DEOSSOPVSA-N 0 0 469.948 4.887 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(NC(C)=O)ccc2F)cc1OC ZINC001360999501 1066178176 /nfs/dbraw/zinc/17/81/76/1066178176.db2.gz MHGLUKIHJWWIFR-UHFFFAOYSA-N 0 0 456.539 4.748 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCC2)c(C)o1 ZINC001361002106 1066179098 /nfs/dbraw/zinc/17/90/98/1066179098.db2.gz ABDKKMUYTYFMMB-AREMUKBSSA-N 0 0 452.599 4.872 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001361001235 1066179111 /nfs/dbraw/zinc/17/91/11/1066179111.db2.gz LZQNMXRDFNAROE-OFNKIYASSA-N 0 0 454.368 4.720 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCCC[C@H](C)C2)c(C)o1 ZINC001361002363 1066179280 /nfs/dbraw/zinc/17/92/80/1066179280.db2.gz DBDHMPZLDHKDFO-GKVSMKOHSA-N 0 0 456.562 4.740 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccc3F)nnc2N2CCC(OC(C)C)CC2)c(C)o1 ZINC001361002801 1066179749 /nfs/dbraw/zinc/17/97/49/1066179749.db2.gz IOYWNIHDWUSKGY-AREMUKBSSA-N 0 0 470.589 4.519 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CCOc3ccccc3)nnc2N(C)Cc2ccoc2C)c(C)o1 ZINC001361003054 1066180222 /nfs/dbraw/zinc/18/02/22/1066180222.db2.gz NFRVAPQOGOMXES-SANMLTNESA-N 0 0 464.566 4.555 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCOc3ccccc3)nnc2N(C)Cc2ccoc2C)c(C)o1 ZINC001361003053 1066180236 /nfs/dbraw/zinc/18/02/36/1066180236.db2.gz NFRVAPQOGOMXES-AREMUKBSSA-N 0 0 464.566 4.555 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)c(C)o1 ZINC001361003159 1066180462 /nfs/dbraw/zinc/18/04/62/1066180462.db2.gz PMUFRXLUZLXIGK-ATIYNZHBSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnc(C(C)C)nc2)c(C)o1 ZINC001361003164 1066180489 /nfs/dbraw/zinc/18/04/89/1066180489.db2.gz PQCDQZUPYBLUNU-NDEPHWFRSA-N 0 0 488.636 4.731 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ccccc3)C2)c(C)o1 ZINC001361003162 1066180507 /nfs/dbraw/zinc/18/05/07/1066180507.db2.gz PMUFRXLUZLXIGK-NVQXNPDNSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)c(C)o1 ZINC001361003255 1066180678 /nfs/dbraw/zinc/18/06/78/1066180678.db2.gz RGAPTRDPKRILDF-KDYSTLNUSA-N 0 0 482.625 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@@H](Oc3ccccc3Cl)C2)c(C)o1 ZINC001361003687 1066181469 /nfs/dbraw/zinc/18/14/69/1066181469.db2.gz ZEUJSSVPRVTAKF-KBMIEXCESA-N 0 0 473.017 4.905 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)CCCc2ccccc2)c(C)o1 ZINC001361003710 1066181914 /nfs/dbraw/zinc/18/19/14/1066181914.db2.gz ZOUDGSSVEPIWSD-SANMLTNESA-N 0 0 479.650 4.820 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001361003882 1066181923 /nfs/dbraw/zinc/18/19/23/1066181923.db2.gz DKBCCEWGRIRKRW-HOTGVXAUSA-N 0 0 488.455 4.548 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361004697 1066183078 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IYEZSYKDCUSQJO-FQEVSTJZSA-N 0 0 469.680 4.826 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2cccc(C(F)(F)F)n2)c(C)c1 ZINC001361014230 1066200167 /nfs/dbraw/zinc/20/01/67/1066200167.db2.gz KOINBHVQTYKQMS-UHFFFAOYSA-N 0 0 472.515 4.618 20 0 JJADRN Cc1ccn2cc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)Nc3c(C)cc(C)cc3C)nc2c1 ZINC001361014145 1066200252 /nfs/dbraw/zinc/20/02/52/1066200252.db2.gz HSSVYYGLWBPWMS-UHFFFAOYSA-N 0 0 487.652 4.871 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@@H]2C)c(C)c1 ZINC001361014330 1066200618 /nfs/dbraw/zinc/20/06/18/1066200618.db2.gz BCNGCLRBNZXNCN-YYWHXJBOSA-N 0 0 496.656 4.931 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(Br)cs2)c1 ZINC001361014578 1066201334 /nfs/dbraw/zinc/20/13/34/1066201334.db2.gz FWUKEVYCNRLBGE-UHFFFAOYSA-N 0 0 485.455 4.999 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2cc(C(C)(C)C)no2)c(C)c1 ZINC001361014459 1066201347 /nfs/dbraw/zinc/20/13/47/1066201347.db2.gz OFBOREWUPQJPGR-UHFFFAOYSA-N 0 0 466.630 4.811 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[C@H]2CCCCO2)c(C)c1 ZINC001361014724 1066201727 /nfs/dbraw/zinc/20/17/27/1066201727.db2.gz TUPTWWMLTNRSKK-XZOQPEGZSA-N 0 0 483.657 4.522 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2)c(C)c1 ZINC001361014725 1066201738 /nfs/dbraw/zinc/20/17/38/1066201738.db2.gz TVQCTMKFASMOKD-NRFANRHFSA-N 0 0 464.639 4.626 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCSC(C)C)c(C)c1 ZINC001361014712 1066201764 /nfs/dbraw/zinc/20/17/64/1066201764.db2.gz SZPYZWNEKWWMTF-FQEVSTJZSA-N 0 0 459.660 4.661 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](C)c2nccs2)c(C)c1 ZINC001361015041 1066202324 /nfs/dbraw/zinc/20/23/24/1066202324.db2.gz XOLYUWZWLYUZQH-IBGZPJMESA-N 0 0 454.644 4.737 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)c(C)c1 ZINC001361015104 1066202767 /nfs/dbraw/zinc/20/27/67/1066202767.db2.gz ZMCWBEHPSPXWBQ-DFHRPNOPSA-N 0 0 497.684 4.595 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361015170 1066202846 /nfs/dbraw/zinc/20/28/46/1066202846.db2.gz PJLIPQRYIKQDNH-NFBKMPQASA-N 0 0 476.625 4.549 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCC2(C)C)c(C)c1 ZINC001361015424 1066203335 /nfs/dbraw/zinc/20/33/35/1066203335.db2.gz YAGOVUZXJQDFCL-NHCUHLMSSA-N 0 0 453.631 4.956 20 0 JJADRN CC(=O)c1cccc(OCC(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)c1 ZINC001361016121 1066203872 /nfs/dbraw/zinc/20/38/72/1066203872.db2.gz ICJWLGAVIAMASX-UHFFFAOYSA-N 0 0 452.551 4.797 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016352 1066204436 /nfs/dbraw/zinc/20/44/36/1066204436.db2.gz MRDVLSCEONIRHF-MYCYEZBNSA-N 0 0 450.623 4.508 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016351 1066204446 /nfs/dbraw/zinc/20/44/46/1066204446.db2.gz MRDVLSCEONIRHF-JLZPKONASA-N 0 0 450.623 4.508 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361017211 1066205574 /nfs/dbraw/zinc/20/55/74/1066205574.db2.gz MHGPUPWNHZKTBO-NJYVYQBISA-N 0 0 476.687 4.558 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCOC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361017628 1066206803 /nfs/dbraw/zinc/20/68/03/1066206803.db2.gz YODXITXFWGXRMG-JOCHJYFZSA-N 0 0 483.657 4.525 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361018103 1066207396 /nfs/dbraw/zinc/20/73/96/1066207396.db2.gz ILXUTBYDIMBZFG-DENIHFKCSA-N 0 0 469.630 4.718 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361018984 1066208785 /nfs/dbraw/zinc/20/87/85/1066208785.db2.gz USIHSMDPEQRIJN-PXNSSMCTSA-N 0 0 467.580 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2CCCN2CCCCC2=O)c1 ZINC001361019253 1066209209 /nfs/dbraw/zinc/20/92/09/1066209209.db2.gz YEPJFSZLXGATJW-NRFANRHFSA-N 0 0 465.598 4.667 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[C@H]2COCCO2)c1 ZINC001361019381 1066209292 /nfs/dbraw/zinc/20/92/92/1066209292.db2.gz ZUTQANKPFWDIRT-PMACEKPBSA-N 0 0 456.612 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361019314 1066209439 /nfs/dbraw/zinc/20/94/39/1066209439.db2.gz ZAPHJIPVRVIQRZ-HXUWFJFHSA-N 0 0 477.634 4.788 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361020672 1066211224 /nfs/dbraw/zinc/21/12/24/1066211224.db2.gz COXJGMGIWUZRBM-XXBNENTESA-N 0 0 455.628 4.628 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001361020883 1066212015 /nfs/dbraw/zinc/21/20/15/1066212015.db2.gz LNURVFZAVARZFT-UHFFFAOYSA-N 0 0 497.562 4.872 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H]2CCSC2)c1 ZINC001361020887 1066212289 /nfs/dbraw/zinc/21/22/89/1066212289.db2.gz LOHIDKQMSQTXFD-RTBURBONSA-N 0 0 457.669 4.923 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCc1nccs1 ZINC001361021132 1066212900 /nfs/dbraw/zinc/21/29/00/1066212900.db2.gz QVFYOBPZYHFPFB-UHFFFAOYSA-N 0 0 479.654 4.550 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2NC(=O)CC2(C)C)c1 ZINC001361021137 1066213212 /nfs/dbraw/zinc/21/32/12/1066213212.db2.gz RASIQIPYQMWRRR-LJQANCHMSA-N 0 0 488.057 4.740 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001361021568 1066215031 /nfs/dbraw/zinc/21/50/31/1066215031.db2.gz ZIUXQZYQJMIIBU-HSZRJFAPSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCc2sc(C)nc2C)no1 ZINC001361022056 1066215670 /nfs/dbraw/zinc/21/56/70/1066215670.db2.gz DZUZLNNAPVFKAE-UHFFFAOYSA-N 0 0 466.611 4.723 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2cn3ccsc3n2)c1 ZINC001361022039 1066215761 /nfs/dbraw/zinc/21/57/61/1066215761.db2.gz DIGLFCKJHYNKGV-UHFFFAOYSA-N 0 0 464.517 4.620 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361022165 1066216853 /nfs/dbraw/zinc/21/68/53/1066216853.db2.gz IEQARWOOYFQSNQ-HWBMXIPRSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)F)n2Cc2ccnc(N3CCCCC3)c2)c1 ZINC001361022534 1066218059 /nfs/dbraw/zinc/21/80/59/1066218059.db2.gz UFNMAEDEWAYYJH-UHFFFAOYSA-N 0 0 484.595 4.999 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361022488 1066218084 /nfs/dbraw/zinc/21/80/84/1066218084.db2.gz SBVPXQVYYSREHJ-FQEVSTJZSA-N 0 0 489.542 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361023809 1066220764 /nfs/dbraw/zinc/22/07/64/1066220764.db2.gz DKCRIDUDNBGGTG-LJQANCHMSA-N 0 0 467.580 4.840 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001442775198 1066221160 /nfs/dbraw/zinc/22/11/60/1066221160.db2.gz IRKPYYREXGXORO-NRFANRHFSA-N 0 0 454.567 4.502 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CC2(C)C)c1 ZINC001361024106 1066221317 /nfs/dbraw/zinc/22/13/17/1066221317.db2.gz IDDRAXDUEJZYCE-ONTIZHBOSA-N 0 0 483.657 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@](C)(O)c2ccco2)c1 ZINC001361024079 1066221355 /nfs/dbraw/zinc/22/13/55/1066221355.db2.gz HGQZSLNLVUWDEA-SANMLTNESA-N 0 0 464.566 4.983 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001442779932 1066221878 /nfs/dbraw/zinc/22/18/78/1066221878.db2.gz MFELRQKMAXQDGU-GOSISDBHSA-N 0 0 453.421 4.876 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccncc2Cl)c1 ZINC001361024276 1066222009 /nfs/dbraw/zinc/22/20/09/1066222009.db2.gz KJJWVULXRMAYGP-JXFKEZNVSA-N 0 0 495.933 4.727 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccncc2Cl)c1 ZINC001361024280 1066222122 /nfs/dbraw/zinc/22/21/22/1066222122.db2.gz KJJWVULXRMAYGP-UZLBHIALSA-N 0 0 495.933 4.727 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@]1(C)Cc1cccc2ccccc21)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001453928894 1066222012 /nfs/dbraw/zinc/22/20/12/1066222012.db2.gz DZWOLWKEMZMAPD-OPWBJGKSSA-N 0 0 454.611 4.627 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546056084 1066222129 /nfs/dbraw/zinc/22/21/29/1066222129.db2.gz AMLXYMWGFIBQAQ-NZQKXSOJSA-N 0 0 496.574 4.715 20 0 JJADRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442793568 1066222556 /nfs/dbraw/zinc/22/25/56/1066222556.db2.gz CXEUBIJZMQKZMX-ZCPGHIKRSA-N 0 0 454.514 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC001361024562 1066222616 /nfs/dbraw/zinc/22/26/16/1066222616.db2.gz NTEDDDBQWXBGAW-JOCHJYFZSA-N 0 0 497.606 4.608 20 0 JJADRN C[C@H](CNC(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)c1c(Cl)cccc1Cl ZINC001442796390 1066223309 /nfs/dbraw/zinc/22/33/09/1066223309.db2.gz HLBGGAZOJSPKOI-CQSZACIVSA-N 0 0 455.386 4.638 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@]2(O)CCSC2)c1 ZINC001361024969 1066223349 /nfs/dbraw/zinc/22/33/49/1066223349.db2.gz SBGRAVOQHMBDKZ-NBGIEHNGSA-N 0 0 458.672 4.747 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC2(O)CCOCC2)c1 ZINC001361025057 1066223366 /nfs/dbraw/zinc/22/33/66/1066223366.db2.gz VINUIYADXITHQK-QFIPXVFZSA-N 0 0 470.658 4.811 20 0 JJADRN CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001361025295 1066223950 /nfs/dbraw/zinc/22/39/50/1066223950.db2.gz ASJKSCRICBFMHT-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@]1(C2CCCC2)CCNC1=O ZINC001361025425 1066224024 /nfs/dbraw/zinc/22/40/24/1066224024.db2.gz DTVVFSBFCACYQR-QHCPKHFHSA-N 0 0 457.368 4.663 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)C2)c(O)cc1Cl ZINC001453953273 1066224576 /nfs/dbraw/zinc/22/45/76/1066224576.db2.gz YMTYFYJRCXZCPA-AWEZNQCLSA-N 0 0 451.350 4.590 20 0 JJADRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 ZINC001361025655 1066224758 /nfs/dbraw/zinc/22/47/58/1066224758.db2.gz KTOBOAMMEPPXLZ-FOIQADDNSA-N 0 0 450.398 4.774 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001453949128 1066224792 /nfs/dbraw/zinc/22/47/92/1066224792.db2.gz YWSOWRKNIZMFAC-UHFFFAOYSA-N 0 0 459.315 4.971 20 0 JJADRN Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c1O ZINC001442807190 1066225463 /nfs/dbraw/zinc/22/54/63/1066225463.db2.gz XDOMGMACRTUKDH-LJQANCHMSA-N 0 0 457.299 4.712 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361026439 1066226158 /nfs/dbraw/zinc/22/61/58/1066226158.db2.gz BVJQSLSZTLJICF-YWEHKCAJSA-N 0 0 484.685 4.914 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(OCC(C)C)c1 ZINC001442817668 1066227036 /nfs/dbraw/zinc/22/70/36/1066227036.db2.gz BDOIGPKAZXTOBG-SFHVURJKSA-N 0 0 457.546 4.543 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC(Oc2cccc(F)c2)CC1 ZINC001453973295 1066227654 /nfs/dbraw/zinc/22/76/54/1066227654.db2.gz PXVATMJMKQQYSE-AWEZNQCLSA-N 0 0 451.325 4.555 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCC2(O)CCC(C)(C)CC2)s1 ZINC001453971399 1066227729 /nfs/dbraw/zinc/22/77/29/1066227729.db2.gz WHWKRIUMLRIHFK-UHFFFAOYSA-N 0 0 453.402 4.642 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1C[C@@H](CC)Oc1ccccc1F ZINC001545952201 1066227871 /nfs/dbraw/zinc/22/78/71/1066227871.db2.gz IPDOQZRICIPMMR-BVYCBKJFSA-N 0 0 483.636 4.913 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1 ZINC001453972970 1066227789 /nfs/dbraw/zinc/22/77/89/1066227789.db2.gz NYLSGQZDPLPQEW-IBGZPJMESA-N 0 0 458.624 4.640 20 0 JJADRN Cc1noc(C2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCSC(C)C)CC2)n1 ZINC001361027006 1066228231 /nfs/dbraw/zinc/22/82/31/1066228231.db2.gz JKSKBNQVMHDJNA-UHFFFAOYSA-N 0 0 470.643 4.691 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361027220 1066228817 /nfs/dbraw/zinc/22/88/17/1066228817.db2.gz MBCSAIIVFUPXTG-OAQYLSRUSA-N 0 0 450.631 4.884 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1 ZINC001361027275 1066228875 /nfs/dbraw/zinc/22/88/75/1066228875.db2.gz AKEKQJFXYFHTEA-SFTDATJTSA-N 0 0 495.624 4.855 20 0 JJADRN COc1cc(NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)c(Cl)cc1Br ZINC001453984007 1066229219 /nfs/dbraw/zinc/22/92/19/1066229219.db2.gz OTBFUTFKIXEGGR-LJQANCHMSA-N 0 0 453.764 4.953 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)C3=Cc4ccccc4O[C@@H]3C(F)F)CC2)c(OC)c1 ZINC001453982259 1066229319 /nfs/dbraw/zinc/22/93/19/1066229319.db2.gz SVYSGOCXGCADES-QHCPKHFHSA-N 0 0 459.489 4.528 20 0 JJADRN COc1cc(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(Cl)cc1Br ZINC001453986656 1066229817 /nfs/dbraw/zinc/22/98/17/1066229817.db2.gz WJWOPCFBNDIIDZ-LYOVBCGYSA-N 0 0 459.768 4.553 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361028001 1066231284 /nfs/dbraw/zinc/23/12/84/1066231284.db2.gz VSGNTUWYJKHLCI-IBGZPJMESA-N 0 0 493.599 4.965 20 0 JJADRN C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001442849611 1066231460 /nfs/dbraw/zinc/23/14/60/1066231460.db2.gz IDKBBGCCZIFFLS-GOSISDBHSA-N 0 0 456.539 4.554 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)O1 ZINC001546057124 1066231377 /nfs/dbraw/zinc/23/13/77/1066231377.db2.gz NYFZYJVDTVHNRZ-LVXARBLLSA-N 0 0 456.631 4.863 20 0 JJADRN C[C@H](NC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Oc2ccccc2)cc1 ZINC001442849643 1066231644 /nfs/dbraw/zinc/23/16/44/1066231644.db2.gz IHNHKIWPDPLTBV-AFMDSPMNSA-N 0 0 454.567 4.808 20 0 JJADRN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001442854324 1066231665 /nfs/dbraw/zinc/23/16/65/1066231665.db2.gz MDQVWEBSZHDQEZ-MRXNPFEDSA-N 0 0 453.336 4.849 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001361028129 1066231760 /nfs/dbraw/zinc/23/17/60/1066231760.db2.gz GYELOSUUFDYSQO-UHFFFAOYSA-N 0 0 478.519 4.577 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)O1 ZINC001546057309 1066231860 /nfs/dbraw/zinc/23/18/60/1066231860.db2.gz PWPZEYFVGDQNJU-TXTKFYIRSA-N 0 0 466.548 4.569 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)O1 ZINC001546057298 1066232007 /nfs/dbraw/zinc/23/20/07/1066232007.db2.gz PTQCENSKYDCASI-VQIMIIECSA-N 0 0 491.352 4.966 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C(F)(F)F)C2)O1 ZINC001546057308 1066232104 /nfs/dbraw/zinc/23/21/04/1066232104.db2.gz PWPZEYFVGDQNJU-SXWKCWPCSA-N 0 0 466.548 4.569 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2cccnc2OCC(F)F)c1 ZINC001361028302 1066232509 /nfs/dbraw/zinc/23/25/09/1066232509.db2.gz XUJSQHUWKLDBNJ-RTBURBONSA-N 0 0 471.552 4.796 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028343 1066232580 /nfs/dbraw/zinc/23/25/80/1066232580.db2.gz YFVZEAHGCLNGSR-MHZLTWQESA-N 0 0 469.674 4.601 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2cccnc2OCC(F)F)c1 ZINC001361028297 1066232729 /nfs/dbraw/zinc/23/27/29/1066232729.db2.gz XUJSQHUWKLDBNJ-OALUTQOASA-N 0 0 471.552 4.796 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCOC(C)(C)C)O1 ZINC001546057333 1066232917 /nfs/dbraw/zinc/23/29/17/1066232917.db2.gz QDZOQMJPSAVBKB-QFQXNSOFSA-N 0 0 453.631 4.880 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001454006927 1066233571 /nfs/dbraw/zinc/23/35/71/1066233571.db2.gz CLUIERCZCRBJRU-ZDUSSCGKSA-N 0 0 453.555 4.738 20 0 JJADRN C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C(=O)c1ccccc1 ZINC001442867182 1066233540 /nfs/dbraw/zinc/23/35/40/1066233540.db2.gz QIJDKINETHGFIN-INIZCTEOSA-N 0 0 457.368 4.535 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CCCC(F)(F)F)c1 ZINC001361028575 1066233823 /nfs/dbraw/zinc/23/38/23/1066233823.db2.gz LLYYRVVIQYMBTO-WMZHIEFXSA-N 0 0 482.547 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454009462 1066234099 /nfs/dbraw/zinc/23/40/99/1066234099.db2.gz ALLOJVOSMARUCX-VGSWGCGISA-N 0 0 458.505 4.743 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)Oc3cc(Br)ccc3OC)cc21 ZINC001454009589 1066234137 /nfs/dbraw/zinc/23/41/37/1066234137.db2.gz XOYBVIOWXSOSKY-UHFFFAOYSA-N 0 0 455.102 4.929 20 0 JJADRN COc1ccc(Br)cc1OC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001454012438 1066234965 /nfs/dbraw/zinc/23/49/65/1066234965.db2.gz FOJDCSRQYNIVJQ-QGZVFWFLSA-N 0 0 450.329 4.704 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(OC(C)C)CC2)O1 ZINC001546056693 1066235023 /nfs/dbraw/zinc/23/50/23/1066235023.db2.gz IULWXKRQBKEQMF-BVAGGSTKSA-N 0 0 456.631 4.907 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442872405 1066235332 /nfs/dbraw/zinc/23/53/32/1066235332.db2.gz FHMRXBCVPJSLAF-RPBOFIJWSA-N 0 0 450.579 4.696 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCOC[C@H]2C)O1 ZINC001546056701 1066235693 /nfs/dbraw/zinc/23/56/93/1066235693.db2.gz IVNLKWWWWHQCAW-DZRGJMJISA-N 0 0 477.049 4.824 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001442873085 1066235947 /nfs/dbraw/zinc/23/59/47/1066235947.db2.gz XODUZOQISMGMQG-UHFFFAOYSA-N 0 0 452.461 4.697 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCOC[C@@H]2C)O1 ZINC001546056704 1066236215 /nfs/dbraw/zinc/23/62/15/1066236215.db2.gz IVNLKWWWWHQCAW-QYXIYQDXSA-N 0 0 477.049 4.824 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)c(I)cc1Cl ZINC001454024264 1066236715 /nfs/dbraw/zinc/23/67/15/1066236715.db2.gz BWNGUVLBJPDJGP-MSOLQXFVSA-N 0 0 457.739 4.741 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2Cl)O1 ZINC001546056841 1066237240 /nfs/dbraw/zinc/23/72/40/1066237240.db2.gz KNLBAAMWNYJDIY-HOYKHHGWSA-N 0 0 488.057 4.907 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)O1 ZINC001546056818 1066237404 /nfs/dbraw/zinc/23/74/04/1066237404.db2.gz KDJZENDOMXUPQL-LVXARBLLSA-N 0 0 475.678 4.662 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001361030439 1066237919 /nfs/dbraw/zinc/23/79/19/1066237919.db2.gz ODIACCAXVVFCQV-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccccc2OCc2ccncc2)CCCCC1 ZINC001442905922 1066238550 /nfs/dbraw/zinc/23/85/50/1066238550.db2.gz HYSPCVMJHWKZIG-UHFFFAOYSA-N 0 0 453.583 4.547 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCCCC1 ZINC001442907763 1066238580 /nfs/dbraw/zinc/23/85/80/1066238580.db2.gz LGTACRHSXLIXCT-UHFFFAOYSA-N 0 0 451.567 4.896 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2(C)CCOCC2)c1 ZINC001361030921 1066238611 /nfs/dbraw/zinc/23/86/11/1066238611.db2.gz BAVAPSSPVFOTQM-JOCHJYFZSA-N 0 0 456.631 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)NCC(F)(F)c3ccc(F)cc3)C2)C1 ZINC001454039298 1066238805 /nfs/dbraw/zinc/23/88/05/1066238805.db2.gz SIPNAMLXBPGOAV-XZSJUEPFSA-N 0 0 458.546 4.603 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(C)=O)CC2)O1 ZINC001546057393 1066238879 /nfs/dbraw/zinc/23/88/79/1066238879.db2.gz RMJBLELTOWUIDE-UFHPHHKVSA-N 0 0 497.684 4.607 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1N ZINC001442919601 1066239978 /nfs/dbraw/zinc/23/99/78/1066239978.db2.gz GLRFEOXDUDRQKD-CQSZACIVSA-N 0 0 459.319 4.549 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](COC)C2)O1 ZINC001546057475 1066240234 /nfs/dbraw/zinc/24/02/34/1066240234.db2.gz SNAWSMAJKQHNFX-KIVTUJJHSA-N 0 0 460.594 4.597 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](COC)C2)O1 ZINC001546057477 1066240422 /nfs/dbraw/zinc/24/04/22/1066240422.db2.gz SNAWSMAJKQHNFX-RZTXVSJASA-N 0 0 460.594 4.597 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCCOCC(C)C)c1 ZINC001361031185 1066240782 /nfs/dbraw/zinc/24/07/82/1066240782.db2.gz KBZXUMGWHHAEPO-VWNXMTODSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCCOCC(C)C)c1 ZINC001361031183 1066240906 /nfs/dbraw/zinc/24/09/06/1066240906.db2.gz KBZXUMGWHHAEPO-LADGPHEKSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2cccnc2)c1 ZINC001361031237 1066240925 /nfs/dbraw/zinc/24/09/25/1066240925.db2.gz LZFJWIPUKIIYER-UHFFFAOYSA-N 0 0 463.626 4.896 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2cc(Br)ccc2C1 ZINC001454049446 1066241109 /nfs/dbraw/zinc/24/11/09/1066241109.db2.gz SFUHCARINIMRND-JKSUJKDBSA-N 0 0 456.258 4.872 20 0 JJADRN O=C(NCC/C=C/c1ccc(Br)cc1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001454049940 1066241208 /nfs/dbraw/zinc/24/12/08/1066241208.db2.gz UJUDIZUDGBCTHF-GQCTYLIASA-N 0 0 453.336 4.968 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361031386 1066241452 /nfs/dbraw/zinc/24/14/52/1066241452.db2.gz QCLFPERIOCWDTM-FDDCHVKYSA-N 0 0 478.515 4.753 20 0 JJADRN O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442925160 1066241632 /nfs/dbraw/zinc/24/16/32/1066241632.db2.gz QRFODEAIEFPICW-GFCCVEGCSA-N 0 0 454.811 4.963 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)c1 ZINC001361031396 1066241573 /nfs/dbraw/zinc/24/15/73/1066241573.db2.gz QHKPVFKOZQOXLJ-LJQANCHMSA-N 0 0 491.583 4.623 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCc4sccc4C3)n2CCCOCC(F)F)c1 ZINC001361031297 1066241692 /nfs/dbraw/zinc/24/16/92/1066241692.db2.gz NNSBUBMJEXZZBF-UHFFFAOYSA-N 0 0 462.566 4.770 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCCCS2)c1 ZINC001361031563 1066242183 /nfs/dbraw/zinc/24/21/83/1066242183.db2.gz VOWHJJRSOINBTG-IBGZPJMESA-N 0 0 484.588 4.653 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361031578 1066242191 /nfs/dbraw/zinc/24/21/91/1066242191.db2.gz VWBZHKXJROCIJR-NRFANRHFSA-N 0 0 489.611 4.748 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCCSCC(C)C)c1 ZINC001361031594 1066242224 /nfs/dbraw/zinc/24/22/24/1066242224.db2.gz WDTJVMUEOOFAMR-UHFFFAOYSA-N 0 0 481.666 4.917 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)O1 ZINC001546057582 1066242507 /nfs/dbraw/zinc/24/25/07/1066242507.db2.gz UVLQLSIXPFBMOP-ZJSXRUAMSA-N 0 0 455.990 4.890 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Br)cn2ncnc12 ZINC001454065041 1066242800 /nfs/dbraw/zinc/24/28/00/1066242800.db2.gz RBRDUHGVQPXFSS-UHFFFAOYSA-N 0 0 455.278 4.809 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2(O)CCCC2)c1 ZINC001361031782 1066243045 /nfs/dbraw/zinc/24/30/45/1066243045.db2.gz ARNCQGIQKOWHFG-NRFANRHFSA-N 0 0 456.631 4.563 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCCc1ccco1)c1ccc(Br)cc1 ZINC001454068891 1066243454 /nfs/dbraw/zinc/24/34/54/1066243454.db2.gz ZTUBMDHXXHQCPS-OAQYLSRUSA-N 0 0 451.361 4.531 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001442934616 1066243950 /nfs/dbraw/zinc/24/39/50/1066243950.db2.gz CCJKKNSOPXRRRI-ZEQRLZLVSA-N 0 0 459.030 4.641 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546057809 1066244128 /nfs/dbraw/zinc/24/41/28/1066244128.db2.gz XMFJMKUTBNWNNS-BWKNWUBXSA-N 0 0 458.672 4.751 20 0 JJADRN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c[nH]c2ncc(Br)cc12 ZINC001442940692 1066244411 /nfs/dbraw/zinc/24/44/11/1066244411.db2.gz MNUPNENDTWBDNP-UHFFFAOYSA-N 0 0 452.190 4.647 20 0 JJADRN O=C(CC(F)(F)F)N1CCC(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC001442944449 1066244485 /nfs/dbraw/zinc/24/44/85/1066244485.db2.gz WBVHPDOIYAZIIK-HXUWFJFHSA-N 0 0 454.489 4.719 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(OC4CCCC4)nc3)cc2)cc1 ZINC001442941055 1066244567 /nfs/dbraw/zinc/24/45/67/1066244567.db2.gz MZWMFWCONWGFRH-UHFFFAOYSA-N 0 0 451.548 4.765 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCOc4ccccc43)cc2)cc1C ZINC001442944222 1066244622 /nfs/dbraw/zinc/24/46/22/1066244622.db2.gz UVRHAQWTQLWVLV-HSZRJFAPSA-N 0 0 450.560 4.748 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)O1 ZINC001546057947 1066244726 /nfs/dbraw/zinc/24/47/26/1066244726.db2.gz ZCABUUOVUVWCLU-AMZDPNTKSA-N 0 0 466.630 4.693 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3sc(C)cc3OCc3ccccc3)C2)s1 ZINC001454095044 1066244848 /nfs/dbraw/zinc/24/48/48/1066244848.db2.gz VCVVAZCRRURLKW-KRWDZBQOSA-N 0 0 456.589 4.898 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001442955410 1066245155 /nfs/dbraw/zinc/24/51/55/1066245155.db2.gz KAFYAMPOIPEYJG-NJDAHSKKSA-N 0 0 459.631 4.501 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC001454105570 1066245490 /nfs/dbraw/zinc/24/54/90/1066245490.db2.gz RJLFADPYOXTOQO-CLOONOSVSA-N 0 0 454.636 4.860 20 0 JJADRN COc1cc(CCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1O ZINC001454106947 1066245584 /nfs/dbraw/zinc/24/55/84/1066245584.db2.gz QQBGLYCMIQBVRT-UHFFFAOYSA-N 0 0 451.363 4.810 20 0 JJADRN COc1cc(CCCNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc(OC)c1O ZINC001454103172 1066245630 /nfs/dbraw/zinc/24/56/30/1066245630.db2.gz JRVSCPDWQSZVED-UHFFFAOYSA-N 0 0 457.530 4.625 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001361032471 1066246304 /nfs/dbraw/zinc/24/63/04/1066246304.db2.gz BMGXCCJUMUGCBL-LBPRGKRZSA-N 0 0 451.436 4.846 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001454109512 1066246250 /nfs/dbraw/zinc/24/62/50/1066246250.db2.gz QOXKXOXVCZAJLH-MJGOQNOKSA-N 0 0 450.764 4.547 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361032729 1066246828 /nfs/dbraw/zinc/24/68/28/1066246828.db2.gz UOHVPXGOJLWYIZ-IDISGSTGSA-N 0 0 496.656 4.771 20 0 JJADRN Cc1[nH]c2ccccc2c1CCNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC001442962591 1066247002 /nfs/dbraw/zinc/24/70/02/1066247002.db2.gz SCIXHKGMOLLDCX-UHFFFAOYSA-N 0 0 459.637 4.511 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361032730 1066247000 /nfs/dbraw/zinc/24/70/00/1066247000.db2.gz UOHVPXGOJLWYIZ-JIPXPUAJSA-N 0 0 496.656 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001454117578 1066247149 /nfs/dbraw/zinc/24/71/49/1066247149.db2.gz LMZYZAGGPSUUDB-YOVTVSGLSA-N 0 0 458.599 4.563 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(C)(C)C(C)C)c1 ZINC001361032822 1066247537 /nfs/dbraw/zinc/24/75/37/1066247537.db2.gz VADPYKFJVYMWHE-JOCHJYFZSA-N 0 0 469.674 4.897 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC(C)(F)F)c1 ZINC001361032802 1066247555 /nfs/dbraw/zinc/24/75/55/1066247555.db2.gz UYDSAFUWCJNPJS-LJQANCHMSA-N 0 0 477.600 4.650 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H]2CCCSC2)c1 ZINC001361032893 1066247694 /nfs/dbraw/zinc/24/76/94/1066247694.db2.gz VMWQHUOFYRYMHC-XZOQPEGZSA-N 0 0 499.725 4.606 20 0 JJADRN O=C(Nc1cc(-c2cccnc2)nn1CCO)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001454121156 1066247736 /nfs/dbraw/zinc/24/77/36/1066247736.db2.gz VJDSLROJLUUYIH-UYRXBGFRSA-N 0 0 450.951 4.832 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Br)c2C)C1(C)C ZINC001442972915 1066248402 /nfs/dbraw/zinc/24/84/02/1066248402.db2.gz BTNUFAJXIWGJAI-HRAATJIYSA-N 0 0 455.393 4.795 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3CCC(C)(F)F)C2)c1 ZINC001361033087 1066248830 /nfs/dbraw/zinc/24/88/30/1066248830.db2.gz XYRZGCFIZJTCRE-FQEVSTJZSA-N 0 0 458.557 4.866 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361033048 1066249070 /nfs/dbraw/zinc/24/90/70/1066249070.db2.gz XCTPJXZBJOMZRE-UNMCSNQZSA-N 0 0 479.591 4.983 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[C@H](N(C)C(=O)N(C)C)C3)c2C1 ZINC001454137989 1066249383 /nfs/dbraw/zinc/24/93/83/1066249383.db2.gz WXYGTTDTIKDJCH-MOPGFXCFSA-N 0 0 450.627 4.604 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001454139705 1066249402 /nfs/dbraw/zinc/24/94/02/1066249402.db2.gz WUYHLOHZMXPVRO-QGZVFWFLSA-N 0 0 456.365 4.954 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001454139701 1066249474 /nfs/dbraw/zinc/24/94/74/1066249474.db2.gz WUYHLOHZMXPVRO-KRWDZBQOSA-N 0 0 456.365 4.954 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361033588 1066250215 /nfs/dbraw/zinc/25/02/15/1066250215.db2.gz YGXLUOYASOKCDR-JIMJEQGWSA-N 0 0 463.599 4.670 20 0 JJADRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Br)nc1 ZINC001361033440 1066250302 /nfs/dbraw/zinc/25/03/02/1066250302.db2.gz TYJPFYKHZXDRKH-FQEVSTJZSA-N 0 0 459.727 4.788 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2cnc(CC(C)C)s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361033600 1066250368 /nfs/dbraw/zinc/25/03/68/1066250368.db2.gz YOSGZOCEHUKGRA-HSZRJFAPSA-N 0 0 456.633 4.827 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2ccnn2C)C1)Oc1cccc(F)c1 ZINC001545953389 1066250354 /nfs/dbraw/zinc/25/03/54/1066250354.db2.gz XHTHWBZAGOKYNP-IRFCIJBXSA-N 0 0 454.594 4.906 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC001442985202 1066250560 /nfs/dbraw/zinc/25/05/60/1066250560.db2.gz FMBSRVPOEFUVPM-JOCHJYFZSA-N 0 0 453.583 4.545 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC2(C)CC2)c1 ZINC001361034781 1066250770 /nfs/dbraw/zinc/25/07/70/1066250770.db2.gz CXWRVRSYDRIFOK-UHFFFAOYSA-N 0 0 469.630 4.579 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)c4ccsc4)CC3)n2CCC(C)C)c1 ZINC001361034690 1066250925 /nfs/dbraw/zinc/25/09/25/1066250925.db2.gz ANMMTBWYLNPIBZ-UHFFFAOYSA-N 0 0 481.666 4.934 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC2=CCCCC2)c1 ZINC001361034797 1066251069 /nfs/dbraw/zinc/25/10/69/1066251069.db2.gz DKUAKFTUCSVXOF-UHFFFAOYSA-N 0 0 465.642 4.669 20 0 JJADRN COc1cccc(C(C)(C)CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 ZINC001546058404 1066251185 /nfs/dbraw/zinc/25/11/85/1066251185.db2.gz MNWANCHMRATHPH-HNNXBMFYSA-N 0 0 453.608 4.557 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001546058400 1066251260 /nfs/dbraw/zinc/25/12/60/1066251260.db2.gz MMRNAZZIHCSZOI-FQEVSTJZSA-N 0 0 455.908 4.570 20 0 JJADRN Cc1cscc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001361034863 1066251673 /nfs/dbraw/zinc/25/16/73/1066251673.db2.gz GWWYJLIQMZIKMD-UHFFFAOYSA-N 0 0 496.681 4.522 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361035041 1066252396 /nfs/dbraw/zinc/25/23/96/1066252396.db2.gz NPTHHQAWXUPILU-CQOQZXRMSA-N 0 0 456.631 4.684 20 0 JJADRN O=C(CCc1ccc2ccccc2c1)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001454192604 1066252616 /nfs/dbraw/zinc/25/26/16/1066252616.db2.gz ROZLYLGMQOQONT-UHFFFAOYSA-N 0 0 455.480 4.754 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC2CCCCC2)c1 ZINC001361035154 1066253169 /nfs/dbraw/zinc/25/31/69/1066253169.db2.gz RKDVMCOXVMTOEG-UHFFFAOYSA-N 0 0 482.673 4.684 20 0 JJADRN C[C@H](CC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1C(F)(F)F ZINC001454195163 1066253401 /nfs/dbraw/zinc/25/34/01/1066253401.db2.gz MXMOWHGNNIKJNF-MRXNPFEDSA-N 0 0 457.500 4.796 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCN(CC(F)(F)F)CC2)s1 ZINC001361035496 1066253696 /nfs/dbraw/zinc/25/36/96/1066253696.db2.gz YLTVJUFXYUPFTR-UHFFFAOYSA-N 0 0 493.599 4.967 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001361035696 1066254316 /nfs/dbraw/zinc/25/43/16/1066254316.db2.gz KCKVUEOJIAUFQG-SFHVURJKSA-N 0 0 493.599 4.965 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361035661 1066254383 /nfs/dbraw/zinc/25/43/83/1066254383.db2.gz IXWHTVOSHFYWKS-QFIPXVFZSA-N 0 0 467.658 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC001454207762 1066254693 /nfs/dbraw/zinc/25/46/93/1066254693.db2.gz QKEFBBGMJDUVEU-INIZCTEOSA-N 0 0 450.004 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCCC(C)(C)C)c1 ZINC001361035563 1066254644 /nfs/dbraw/zinc/25/46/44/1066254644.db2.gz FXUFUSXNNMJOCY-QHCPKHFHSA-N 0 0 469.674 4.601 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2[nH]1 ZINC001454213696 1066254827 /nfs/dbraw/zinc/25/48/27/1066254827.db2.gz CSXRSDWAWYLIOZ-ZWNOBZJWSA-N 0 0 451.741 4.753 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2[nH]1 ZINC001454213693 1066254967 /nfs/dbraw/zinc/25/49/67/1066254967.db2.gz CSXRSDWAWYLIOZ-MFKMUULPSA-N 0 0 451.741 4.753 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC001361037226 1066255234 /nfs/dbraw/zinc/25/52/34/1066255234.db2.gz CAJHQKLRSKCBBG-KRWDZBQOSA-N 0 0 459.775 4.687 20 0 JJADRN COCCOC1CCC(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC001361037234 1066255245 /nfs/dbraw/zinc/25/52/45/1066255245.db2.gz CBEXDVYOSHULAX-UHFFFAOYSA-N 0 0 452.433 4.989 20 0 JJADRN Cn1ncc2c1CC(C)(C)CN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C2 ZINC001454216258 1066255404 /nfs/dbraw/zinc/25/54/04/1066255404.db2.gz FLBXWFPYSPNFDO-NRFANRHFSA-N 0 0 454.615 4.623 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC001454222352 1066255418 /nfs/dbraw/zinc/25/54/18/1066255418.db2.gz RJECOCHOAJMZLQ-YJYMSZOUSA-N 0 0 458.946 4.668 20 0 JJADRN C[C@]1(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)Oc2ccccc2NC1=O ZINC001361037790 1066256046 /nfs/dbraw/zinc/25/60/46/1066256046.db2.gz PPJSGXCLCATKGO-JOCHJYFZSA-N 0 0 457.368 4.557 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCCCC1 ZINC001443030176 1066256214 /nfs/dbraw/zinc/25/62/14/1066256214.db2.gz RVLOGUYZLGSPMJ-GOSISDBHSA-N 0 0 452.389 4.641 20 0 JJADRN Cc1nc(-c2cccc(CNC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)c2)cs1 ZINC001454236172 1066256381 /nfs/dbraw/zinc/25/63/81/1066256381.db2.gz ZZVOGIAHGDOVDY-QUCCMNQESA-N 0 0 458.381 4.670 20 0 JJADRN Cc1nc(-c2cccc(CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)c2)cs1 ZINC001454233587 1066256422 /nfs/dbraw/zinc/25/64/22/1066256422.db2.gz QLVLDMYDXLKUNQ-KRWDZBQOSA-N 0 0 451.539 4.627 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](c4nccs4)C3)n2CCSC(C)C)c1 ZINC001361038124 1066256555 /nfs/dbraw/zinc/25/65/55/1066256555.db2.gz FXJQZORTQDZBJV-FQEVSTJZSA-N 0 0 473.668 4.650 20 0 JJADRN Cc1nc(CCC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)oc1-c1ccccc1 ZINC001443031083 1066256800 /nfs/dbraw/zinc/25/68/00/1066256800.db2.gz GHRGMIAMTZIQEK-HXUWFJFHSA-N 0 0 455.352 4.945 20 0 JJADRN Cn1cc([C@@H]2N(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)CC2(C)C)cn1 ZINC001454243346 1066256917 /nfs/dbraw/zinc/25/69/17/1066256917.db2.gz FGOOBUCQQCJPSY-RTWAWAEBSA-N 0 0 454.368 4.912 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)sc21 ZINC001443038308 1066257409 /nfs/dbraw/zinc/25/74/09/1066257409.db2.gz XFSUIGODXBRCKC-CYBMUJFWSA-N 0 0 456.312 4.549 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)CSCC(=O)c2ccccc2)C1 ZINC001454244285 1066257743 /nfs/dbraw/zinc/25/77/43/1066257743.db2.gz ZMXADEIMBYHUPC-UHFFFAOYSA-N 0 0 451.567 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](C)c2nccs2)c1 ZINC001361038673 1066257714 /nfs/dbraw/zinc/25/77/14/1066257714.db2.gz MINWUEQJJRMCKX-OALUTQOASA-N 0 0 455.628 4.738 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001443048757 1066258380 /nfs/dbraw/zinc/25/83/80/1066258380.db2.gz VHIYBZMBXODCRN-GOSISDBHSA-N 0 0 454.640 4.867 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001454255077 1066258414 /nfs/dbraw/zinc/25/84/14/1066258414.db2.gz DUNDBYHVKCWPKN-QGZVFWFLSA-N 0 0 458.183 4.698 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC001443053049 1066258910 /nfs/dbraw/zinc/25/89/10/1066258910.db2.gz BIHQEBRMIKOQIL-INIZCTEOSA-N 0 0 451.419 4.860 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361039010 1066259161 /nfs/dbraw/zinc/25/91/61/1066259161.db2.gz VQFQVTMRKLTGPG-XMMPIXPASA-N 0 0 493.652 4.956 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N(CCO)Cc3ccc(Br)s3)nnc2C(C)(C)C)O1 ZINC001546059080 1066259228 /nfs/dbraw/zinc/25/92/28/1066259228.db2.gz FDFQCFSSJSKZSV-YCRPNKLZSA-N 0 0 485.492 4.746 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC001443055069 1066259767 /nfs/dbraw/zinc/25/97/67/1066259767.db2.gz DRSWBNIUMGLYEO-CVEARBPZSA-N 0 0 451.792 4.821 20 0 JJADRN C[C@H](O)[C@@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(C(C)(C)C)cc1 ZINC001454267958 1066260552 /nfs/dbraw/zinc/26/05/52/1066260552.db2.gz PUOAWNAYTRGFPH-HPKOMGBESA-N 0 0 458.602 4.881 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001454266830 1066260650 /nfs/dbraw/zinc/26/06/50/1066260650.db2.gz LNGZAPQIGFFVCZ-AREMUKBSSA-N 0 0 456.586 4.709 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC(=O)N2CCCCCC2)c1 ZINC001361039401 1066260933 /nfs/dbraw/zinc/26/09/33/1066260933.db2.gz GMGJWPRSXRMCQO-FGZHOGPDSA-N 0 0 485.698 4.597 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSCC3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361039508 1066260947 /nfs/dbraw/zinc/26/09/47/1066260947.db2.gz KIURCJFBSLUVEC-UHFFFAOYSA-N 0 0 457.669 4.829 20 0 JJADRN CCCc1nc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)nn1-c1ccccc1F ZINC001443058338 1066261174 /nfs/dbraw/zinc/26/11/74/1066261174.db2.gz LVWDKQKNEPKWIG-KRWDZBQOSA-N 0 0 455.965 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 ZINC001443059143 1066261221 /nfs/dbraw/zinc/26/12/21/1066261221.db2.gz HLGJVSKEYFKRKK-OXQOHEQNSA-N 0 0 454.970 4.806 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546059132 1066261140 /nfs/dbraw/zinc/26/11/40/1066261140.db2.gz FNUHZCJYZCUIEZ-RXYILKCJSA-N 0 0 496.700 4.661 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC2(O)CCCCC2)c1 ZINC001361039664 1066261713 /nfs/dbraw/zinc/26/17/13/1066261713.db2.gz PXVXDFAAYQYPQQ-UYAOXDASSA-N 0 0 466.548 4.804 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc(Cl)cc(Br)c2N)C1 ZINC001443064834 1066261808 /nfs/dbraw/zinc/26/18/08/1066261808.db2.gz ZGIKTCSMDMVPHL-GFCCVEGCSA-N 0 0 457.199 4.903 20 0 JJADRN Cc1ccccc1CC(C)(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C ZINC001443060623 1066261862 /nfs/dbraw/zinc/26/18/62/1066261862.db2.gz CEGFCKHOEFXSMZ-UHFFFAOYSA-N 0 0 454.567 4.994 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)C2=O ZINC001443069993 1066262319 /nfs/dbraw/zinc/26/23/19/1066262319.db2.gz HJRWQBXCWKDJJL-SBUREZEXSA-N 0 0 452.982 4.941 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)ccc1F ZINC001443080060 1066263060 /nfs/dbraw/zinc/26/30/60/1066263060.db2.gz YAQQNOQIFILSRR-HXUWFJFHSA-N 0 0 452.979 4.772 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1c[nH]nc1I ZINC001443073408 1066263253 /nfs/dbraw/zinc/26/32/53/1066263253.db2.gz OETLRIZTAGGMQJ-MRXNPFEDSA-N 0 0 457.743 4.589 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cccc(N2C(=O)CCC2=O)c1 ZINC001361040959 1066263639 /nfs/dbraw/zinc/26/36/39/1066263639.db2.gz MRMIOSVKSWZWGQ-UHFFFAOYSA-N 0 0 458.408 4.968 20 0 JJADRN CC[C@@]1(C(=O)Nc2n[nH]c3c2cc(C)cc3Br)CCCN1C(=O)OC(C)(C)C ZINC001454279191 1066263816 /nfs/dbraw/zinc/26/38/16/1066263816.db2.gz JDKUISFHQVHFON-FQEVSTJZSA-N 0 0 451.365 4.752 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CC(N)=O)c1 ZINC001361041529 1066264264 /nfs/dbraw/zinc/26/42/64/1066264264.db2.gz BLMPFBLGTJHRTQ-APWZRJJASA-N 0 0 481.666 4.527 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC001361041645 1066264365 /nfs/dbraw/zinc/26/43/65/1066264365.db2.gz FUEMNMXNGUTBGR-UHFFFAOYSA-N 0 0 491.684 4.803 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361041840 1066264823 /nfs/dbraw/zinc/26/48/23/1066264823.db2.gz KPLYAIFZZRDTRT-NFBKMPQASA-N 0 0 483.657 4.981 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(OC)CC2)O1 ZINC001546059362 1066264919 /nfs/dbraw/zinc/26/49/19/1066264919.db2.gz IYHRNFSHRWQFGY-XZMORJKJSA-N 0 0 462.679 4.940 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001454288652 1066264932 /nfs/dbraw/zinc/26/49/32/1066264932.db2.gz QVGFZOZAPMUZFL-XEWAOHLVSA-N 0 0 485.477 4.701 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N[C@H](C)[C@H](OC)c3ccccc3Cl)nnc2[C@@H]2CCOC2)O1 ZINC001546059412 1066264965 /nfs/dbraw/zinc/26/49/65/1066264965.db2.gz JWMORFNKVAGEGY-ZKUMWFFHSA-N 0 0 463.022 4.971 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001454288650 1066264992 /nfs/dbraw/zinc/26/49/92/1066264992.db2.gz QVGFZOZAPMUZFL-OFBRSVPSSA-N 0 0 485.477 4.701 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC001361041904 1066265043 /nfs/dbraw/zinc/26/50/43/1066265043.db2.gz MPGKXGRTYWNPOF-UHFFFAOYSA-N 0 0 484.714 4.566 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC001443090836 1066265201 /nfs/dbraw/zinc/26/52/01/1066265201.db2.gz JBZDYXFVGOPBBQ-UHFFFAOYSA-N 0 0 458.440 4.639 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCOc2cc(C)cc(C)c2)o1 ZINC001361042024 1066265452 /nfs/dbraw/zinc/26/54/52/1066265452.db2.gz PZHLGFYLSVBPQR-JOCHJYFZSA-N 0 0 493.652 4.919 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361042115 1066265480 /nfs/dbraw/zinc/26/54/80/1066265480.db2.gz SMDBEOYTFCSMDU-NRFANRHFSA-N 0 0 483.657 4.935 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC001454290238 1066265511 /nfs/dbraw/zinc/26/55/11/1066265511.db2.gz JCVZIXWDEBWEJR-MXVIHJGJSA-N 0 0 452.599 4.842 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042215 1066265595 /nfs/dbraw/zinc/26/55/95/1066265595.db2.gz WLIUNAKKJIVREI-ZJSXRUAMSA-N 0 0 496.574 4.745 20 0 JJADRN COC(=O)CCn1nc(C)c(NC(=O)c2sc3ccc(Br)cc3c2C)c1C ZINC001454293290 1066265857 /nfs/dbraw/zinc/26/58/57/1066265857.db2.gz KNXMNMWKJBGUBG-UHFFFAOYSA-N 0 0 450.358 4.601 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NC(C)(C)Cc2ccc(Br)cc2)C1 ZINC001443093371 1066265890 /nfs/dbraw/zinc/26/58/90/1066265890.db2.gz SHZMJFBMHZBEJV-FUHWJXTLSA-N 0 0 453.421 4.970 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001443094908 1066266027 /nfs/dbraw/zinc/26/60/27/1066266027.db2.gz XWOKAFQIETXWOQ-HEPPIXLFSA-N 0 0 460.578 4.905 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001443094950 1066266188 /nfs/dbraw/zinc/26/61/88/1066266188.db2.gz XWOKAFQIETXWOQ-IZRQAOQISA-N 0 0 460.578 4.905 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443093211 1066266250 /nfs/dbraw/zinc/26/62/50/1066266250.db2.gz IWLXWZLZPPBYPE-LPHOPBHVSA-N 0 0 453.753 4.600 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccsc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361042654 1066266717 /nfs/dbraw/zinc/26/67/17/1066266717.db2.gz LJLNYLHPUHFPOH-OAQYLSRUSA-N 0 0 497.665 4.730 20 0 JJADRN COc1ccccc1C[C@](C)(CO)NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1 ZINC001454299184 1066266903 /nfs/dbraw/zinc/26/69/03/1066266903.db2.gz ARZRWLHWWOYAIA-MUUNZHRXSA-N 0 0 455.558 4.580 20 0 JJADRN O=C(CCCc1c(F)cccc1F)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC001454298645 1066267116 /nfs/dbraw/zinc/26/71/16/1066267116.db2.gz LMLWIWYQEMIQBC-CQSZACIVSA-N 0 0 453.327 4.507 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546059532 1066267212 /nfs/dbraw/zinc/26/72/12/1066267212.db2.gz LTHLWQPJLHARIJ-VOUZHKRMSA-N 0 0 491.677 4.607 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC001361042814 1066267334 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UBYVIADEGGIROB-HSZRJFAPSA-N 0 0 495.693 4.615 20 0 JJADRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)cc2)c1 ZINC001443100569 1066267980 /nfs/dbraw/zinc/26/79/80/1066267980.db2.gz PDDADNSBDNZBHD-RLWLMLJZSA-N 0 0 457.574 4.908 20 0 JJADRN C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001454310364 1066268166 /nfs/dbraw/zinc/26/81/66/1066268166.db2.gz OHUVYRHAFSBJOF-NRFANRHFSA-N 0 0 452.473 4.620 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)s1 ZINC001361045166 1066269520 /nfs/dbraw/zinc/26/95/20/1066269520.db2.gz PJRXYWDXWOIQSV-MRXNPFEDSA-N 0 0 491.665 4.721 20 0 JJADRN C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC001454314517 1066269444 /nfs/dbraw/zinc/26/94/44/1066269444.db2.gz YHCBGONASPJNSM-QHCPKHFHSA-N 0 0 457.343 4.737 20 0 JJADRN CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[C@@H]1C ZINC001443113937 1066270122 /nfs/dbraw/zinc/27/01/22/1066270122.db2.gz YJSXJTXNSJAIQN-PSHVLCQKSA-N 0 0 456.656 4.763 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2nc(COc3ccccc3)cs2)c1 ZINC001454327255 1066270311 /nfs/dbraw/zinc/27/03/11/1066270311.db2.gz PPOMUUNZTOVDQN-UHFFFAOYSA-N 0 0 452.561 4.647 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC001443119636 1066270880 /nfs/dbraw/zinc/27/08/80/1066270880.db2.gz BQTLAYDVWOPMHD-SEYXRHQNSA-N 0 0 459.546 4.816 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N(C)Cc3cnn(Cc4ccccc4)c3)nnc2C(C)(C)C)O1 ZINC001546059888 1066270935 /nfs/dbraw/zinc/27/09/35/1066270935.db2.gz SFRNDCQHCUXBSN-BKMJKUGQSA-N 0 0 450.631 4.805 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546060024 1066271851 /nfs/dbraw/zinc/27/18/51/1066271851.db2.gz ULSBJNGQBFZNEY-DWACAAAGSA-N 0 0 499.675 4.904 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045731 1066271849 /nfs/dbraw/zinc/27/18/49/1066271849.db2.gz HTGUJPGFUWTMKY-FQEVSTJZSA-N 0 0 494.640 4.722 20 0 JJADRN O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H](O)Cc1ccccc1Cl ZINC001454334171 1066271977 /nfs/dbraw/zinc/27/19/77/1066271977.db2.gz KICCXKVHOAAWQL-LJQANCHMSA-N 0 0 450.844 4.766 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC001454337381 1066272351 /nfs/dbraw/zinc/27/23/51/1066272351.db2.gz IJQSJQOXQAKSQF-DVECYGJZSA-N 0 0 455.396 4.734 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nnc2C(C)(C)C)O1 ZINC001546060169 1066273159 /nfs/dbraw/zinc/27/31/59/1066273159.db2.gz WKABPZUSPOCGGP-CJAUYULYSA-N 0 0 492.039 4.678 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545954779 1066273525 /nfs/dbraw/zinc/27/35/25/1066273525.db2.gz KJMUWWBNRYCJRP-BVSLBCMMSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC2CCOCC2)O1 ZINC001546060277 1066273761 /nfs/dbraw/zinc/27/37/61/1066273761.db2.gz XSAXDDFBBICPCA-BOCITWAFSA-N 0 0 462.679 4.797 20 0 JJADRN COc1ccc(COCCCC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001443154935 1066274653 /nfs/dbraw/zinc/27/46/53/1066274653.db2.gz FIYHSHNLTKCZNA-XMMPIXPASA-N 0 0 456.970 4.620 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443155237 1066275056 /nfs/dbraw/zinc/27/50/56/1066275056.db2.gz RRDPEPNEOGMBEH-SHQCLWGWSA-N 0 0 453.377 4.990 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1Br ZINC001361046316 1066275029 /nfs/dbraw/zinc/27/50/29/1066275029.db2.gz BXBRXHSPQLHAKK-DYVFJYSZSA-N 0 0 459.812 4.939 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O ZINC001443159039 1066275240 /nfs/dbraw/zinc/27/52/40/1066275240.db2.gz XICAISORPOQTSL-UHFFFAOYSA-N 0 0 457.328 4.956 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC001443157612 1066275340 /nfs/dbraw/zinc/27/53/40/1066275340.db2.gz LVZIPIVVVRUJBY-UHFFFAOYSA-N 0 0 451.954 4.742 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccc(N4CCOC[C@H]4C)c(Cl)c3)c2)n1 ZINC001454356551 1066275140 /nfs/dbraw/zinc/27/51/40/1066275140.db2.gz KHLCDABKKQGIJH-MRXNPFEDSA-N 0 0 451.958 4.528 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)C1CCC1 ZINC001443164182 1066275923 /nfs/dbraw/zinc/27/59/23/1066275923.db2.gz OMDALCVBXNDZMY-JOCHJYFZSA-N 0 0 455.530 4.639 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)c(I)c3)cc2)n1 ZINC001454367622 1066276050 /nfs/dbraw/zinc/27/60/50/1066276050.db2.gz AOSRCRXJVMJTSU-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CN1C[C@@H](NC(=O)c2ccccc2OCc2ccc(Br)cc2)Cc2ccccc21 ZINC001454372360 1066276098 /nfs/dbraw/zinc/27/60/98/1066276098.db2.gz MWQWCXLFYQUESQ-FQEVSTJZSA-N 0 0 451.364 4.819 20 0 JJADRN O=C(N[C@@H](CO)[C@@H](O)C1CCCCC1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454380401 1066276518 /nfs/dbraw/zinc/27/65/18/1066276518.db2.gz QQIDRAPOFWBZCE-UNMCSNQZSA-N 0 0 456.633 4.621 20 0 JJADRN O=C(c1ccc(O)cc1O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443167839 1066276659 /nfs/dbraw/zinc/27/66/59/1066276659.db2.gz ZQOSNKUYZOURBN-UHFFFAOYSA-N 0 0 457.357 4.952 20 0 JJADRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC001443171190 1066277289 /nfs/dbraw/zinc/27/72/89/1066277289.db2.gz ZLCFPMOJLMOJRE-SFHVURJKSA-N 0 0 458.946 4.752 20 0 JJADRN COCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC ZINC001454398844 1066277257 /nfs/dbraw/zinc/27/72/57/1066277257.db2.gz JHKCNHKOMHGSPE-UHFFFAOYSA-N 0 0 454.548 4.512 20 0 JJADRN Cn1cc(C(=O)N2CC(Cc3cccc(Br)c3)C2)c(-c2ccc(Cl)s2)n1 ZINC001454400843 1066278570 /nfs/dbraw/zinc/27/85/70/1066278570.db2.gz MIYGAVMYLGACKP-UHFFFAOYSA-N 0 0 450.789 4.879 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N2CC(Cc3cccc(Br)c3)C2)nc1 ZINC001454403376 1066278607 /nfs/dbraw/zinc/27/86/07/1066278607.db2.gz REEXFYFPRFUVPI-UHFFFAOYSA-N 0 0 453.336 4.960 20 0 JJADRN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001443198763 1066278661 /nfs/dbraw/zinc/27/86/61/1066278661.db2.gz FTSFVMDZRROLSG-UHFFFAOYSA-N 0 0 457.546 4.590 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(-c3ccc(C=O)cc3)cc2)cc1OC ZINC001443199426 1066278695 /nfs/dbraw/zinc/27/86/95/1066278695.db2.gz FFZXSNQUZLNXGB-UHFFFAOYSA-N 0 0 455.514 4.989 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCNC(=O)C(C)C)s1 ZINC001361048784 1066279153 /nfs/dbraw/zinc/27/91/53/1066279153.db2.gz JHQIYWHWFUMECU-QGZVFWFLSA-N 0 0 491.665 4.579 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCCCOc1cccc2cccnc21 ZINC001443207913 1066279707 /nfs/dbraw/zinc/27/97/07/1066279707.db2.gz URHJXOFQIXMEEW-UHFFFAOYSA-N 0 0 452.352 4.846 20 0 JJADRN COc1ccc2ccccc2c1CN(C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CCCC1 ZINC001443208828 1066279809 /nfs/dbraw/zinc/27/98/09/1066279809.db2.gz VTUJRXDZBKFNFT-QHCPKHFHSA-N 0 0 452.551 4.606 20 0 JJADRN C[C@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443211908 1066280285 /nfs/dbraw/zinc/28/02/85/1066280285.db2.gz GJGVTRGGSAJOLV-AWEZNQCLSA-N 0 0 454.885 4.880 20 0 JJADRN Cc1cc(-c2nnc(N(CC(C)C)C(C)C)n2CCCNC(=O)C(C)C)c2ccccc2n1 ZINC001361049107 1066280327 /nfs/dbraw/zinc/28/03/27/1066280327.db2.gz SROKZFOFFGQLRP-UHFFFAOYSA-N 0 0 450.631 4.835 20 0 JJADRN C/C=C/C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001454412305 1066280626 /nfs/dbraw/zinc/28/06/26/1066280626.db2.gz NZKRDJBBBXHZBI-OTUKTJHOSA-N 0 0 451.380 4.645 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCC(=O)c1cc(Cl)ccc1F)C1CCCCCC1 ZINC001454420679 1066280774 /nfs/dbraw/zinc/28/07/74/1066280774.db2.gz GYDGDBBPCJKSRB-SFHVURJKSA-N 0 0 454.970 4.889 20 0 JJADRN CC(C)COc1ncc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1Cl ZINC001443213138 1066280908 /nfs/dbraw/zinc/28/09/08/1066280908.db2.gz FMGZNEVDYKBDBP-UHFFFAOYSA-N 0 0 453.930 4.739 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCSCC(F)(F)F)c2ccccc2n1 ZINC001361049232 1066281307 /nfs/dbraw/zinc/28/13/07/1066281307.db2.gz WZOFFSJTKXXBRG-IYBDPMFKSA-N 0 0 465.545 4.711 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(NC(=O)NCc4ccncc4)c3)cc2F)n1 ZINC001443219950 1066282060 /nfs/dbraw/zinc/28/20/60/1066282060.db2.gz YNFANFRPOSDDRY-UHFFFAOYSA-N 0 0 458.497 4.597 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545955645 1066282344 /nfs/dbraw/zinc/28/23/44/1066282344.db2.gz YTQCXAUXOXUQCS-OYTPZHDJSA-N 0 0 497.684 4.842 20 0 JJADRN CCc1c(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)n[nH]c1-c1ccncc1 ZINC001443237149 1066282873 /nfs/dbraw/zinc/28/28/73/1066282873.db2.gz BYLHPRCZXCJPDA-UHFFFAOYSA-N 0 0 452.971 4.912 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)OC ZINC001545955660 1066283064 /nfs/dbraw/zinc/28/30/64/1066283064.db2.gz ZBTOGIOVQRRKLQ-YADHBBJMSA-N 0 0 457.022 4.936 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC(F)(F)F)c2ccccc2n1 ZINC001361049817 1066283162 /nfs/dbraw/zinc/28/31/62/1066283162.db2.gz PIUBMBPOHXNTER-INIZCTEOSA-N 0 0 490.530 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cn2)C1 ZINC001443252790 1066284119 /nfs/dbraw/zinc/28/41/19/1066284119.db2.gz XUUYMVGYUWWQER-OAQYLSRUSA-N 0 0 456.562 4.794 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccn1-c1cccc(I)c1 ZINC001454456798 1066284275 /nfs/dbraw/zinc/28/42/75/1066284275.db2.gz IGOFQOUYCBZBPI-FUHWJXTLSA-N 0 0 464.253 4.646 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCOCC(C)C)c2ccccc2n1 ZINC001361050049 1066284366 /nfs/dbraw/zinc/28/43/66/1066284366.db2.gz SLJGELHWRFBFKG-UHFFFAOYSA-N 0 0 491.558 4.758 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H]3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050060 1066284442 /nfs/dbraw/zinc/28/44/42/1066284442.db2.gz SNOOYVVNYPMZTH-PKOBYXMFSA-N 0 0 464.614 4.951 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1C(F)F ZINC001454458784 1066285134 /nfs/dbraw/zinc/28/51/34/1066285134.db2.gz DOJCHDZCCGOWIW-BMGDILEWSA-N 0 0 454.562 4.631 20 0 JJADRN CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)c[nH]1 ZINC001454462223 1066285306 /nfs/dbraw/zinc/28/53/06/1066285306.db2.gz MUGBZYOHEXDELZ-UHFFFAOYSA-N 0 0 453.351 4.933 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCCCc2nc(-c3cccnc3)cs2)C1 ZINC001443258140 1066285579 /nfs/dbraw/zinc/28/55/79/1066285579.db2.gz ZDIBHGMFLJSKLT-YLJYHZDGSA-N 0 0 458.628 4.680 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCOc2ccc(C)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051051 1066285608 /nfs/dbraw/zinc/28/56/08/1066285608.db2.gz IOSBATVWWJQFLD-SANMLTNESA-N 0 0 451.588 4.690 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)CCCCC1 ZINC001443259515 1066285729 /nfs/dbraw/zinc/28/57/29/1066285729.db2.gz APDKMAKYEVLBRA-UHFFFAOYSA-N 0 0 458.628 4.609 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)c21 ZINC001454463072 1066285749 /nfs/dbraw/zinc/28/57/49/1066285749.db2.gz KCKIKVLTEQZLOA-JJEOQYAHSA-N 0 0 455.599 4.649 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)c2c1 ZINC001454462199 1066285806 /nfs/dbraw/zinc/28/58/06/1066285806.db2.gz JWKRNFGIVSTMNM-IFZYUDKTSA-N 0 0 457.546 4.542 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CCN[C@@H](c2ccccc2C)C1 ZINC001454463235 1066285885 /nfs/dbraw/zinc/28/58/85/1066285885.db2.gz QOSYZSPEGGHDIW-HXUWFJFHSA-N 0 0 459.974 4.791 20 0 JJADRN CC[C@H](C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC001361050901 1066285971 /nfs/dbraw/zinc/28/59/71/1066285971.db2.gz FUABSQHATUAWCE-DQEYMECFSA-N 0 0 451.588 4.807 20 0 JJADRN Cc1cccc(CN(Cc2ccccn2)C(=O)CCN2C(=S)N=NC2c2cccc(C)c2)c1 ZINC001443262388 1066286445 /nfs/dbraw/zinc/28/64/45/1066286445.db2.gz HQMQWWVAPXWWIM-UHFFFAOYSA-N 0 0 457.603 4.865 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N[C@H](C)Cc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC001361051588 1066286349 /nfs/dbraw/zinc/28/63/49/1066286349.db2.gz WBTLEXGMTOZNME-ZJSFPPFMSA-N 0 0 457.574 4.630 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N[C@@H](C)Cc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC001361051586 1066286392 /nfs/dbraw/zinc/28/63/92/1066286392.db2.gz WBTLEXGMTOZNME-NFCJYOSASA-N 0 0 457.574 4.630 20 0 JJADRN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1csc(I)c1Br ZINC001361051693 1066286459 /nfs/dbraw/zinc/28/64/59/1066286459.db2.gz XWTAXUJGGUJUPU-ONGXEEELSA-N 0 0 454.171 4.814 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051539 1066286521 /nfs/dbraw/zinc/28/65/21/1066286521.db2.gz VEZREOHXOGHBOF-SBUREZEXSA-N 0 0 457.979 4.725 20 0 JJADRN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1csc(I)c1Br ZINC001361051691 1066286561 /nfs/dbraw/zinc/28/65/61/1066286561.db2.gz XWTAXUJGGUJUPU-KOLCDFICSA-N 0 0 454.171 4.814 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361052212 1066286986 /nfs/dbraw/zinc/28/69/86/1066286986.db2.gz MVLJRGMDPCBHJR-CLOONOSVSA-N 0 0 453.656 4.931 20 0 JJADRN CCN(C(=O)c1cc(Br)ccc1OC(F)F)c1ccc(Br)cn1 ZINC001361052701 1066287877 /nfs/dbraw/zinc/28/78/77/1066287877.db2.gz MZDFARDVEFAJCG-UHFFFAOYSA-N 0 0 450.077 4.875 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC ZINC001545956347 1066288000 /nfs/dbraw/zinc/28/80/00/1066288000.db2.gz AQGJTPZEVAWDSS-ZBFHGGJFSA-N 0 0 461.326 4.911 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001454469369 1066288069 /nfs/dbraw/zinc/28/80/69/1066288069.db2.gz RCPZGMUTHOUKPQ-SFHVURJKSA-N 0 0 454.412 4.844 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)no1 ZINC001361053131 1066288393 /nfs/dbraw/zinc/28/83/93/1066288393.db2.gz AFVBFSZHCGROKT-NUJGCVRESA-N 0 0 457.550 4.694 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)CCOCC2)cc1 ZINC001454475718 1066288524 /nfs/dbraw/zinc/28/85/24/1066288524.db2.gz TYGBJPMDTKFUGF-BHDDXSALSA-N 0 0 456.627 4.584 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)cc1F ZINC001454472698 1066288546 /nfs/dbraw/zinc/28/85/46/1066288546.db2.gz ZQRIDBZLLVZZDJ-HOCLYGCPSA-N 0 0 451.325 4.510 20 0 JJADRN CC[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCCOC1)OC ZINC001545956430 1066288630 /nfs/dbraw/zinc/28/86/30/1066288630.db2.gz CCTOWRGRQOBTFO-AZUAARDMSA-N 0 0 455.628 4.665 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(COC(C)(C)C)c2)no1 ZINC001361053235 1066288856 /nfs/dbraw/zinc/28/88/56/1066288856.db2.gz CQGZXGQEBJWCSM-HHHXNRCGSA-N 0 0 497.640 4.615 20 0 JJADRN Cc1csc(-c2cccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C(=O)C3)c2)n1 ZINC001454475946 1066288920 /nfs/dbraw/zinc/28/89/20/1066288920.db2.gz WWCFRBNKSRAVJP-UHFFFAOYSA-N 0 0 459.493 4.622 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(F)cc(Br)c3C2)CCCCC1 ZINC001454475491 1066289020 /nfs/dbraw/zinc/28/90/20/1066289020.db2.gz OWYTZYVVFIVFPI-UHFFFAOYSA-N 0 0 455.368 4.701 20 0 JJADRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccc(Cl)cc3)s2)s1 ZINC001443278851 1066289156 /nfs/dbraw/zinc/28/91/56/1066289156.db2.gz DCANPDYDJVZOQK-CQSZACIVSA-N 0 0 450.010 4.987 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)c(O)c1)c1cc(F)cc(F)c1 ZINC001443278255 1066289226 /nfs/dbraw/zinc/28/92/26/1066289226.db2.gz CCLREJOLLLIUFZ-UHFFFAOYSA-N 0 0 455.436 4.914 20 0 JJADRN COC[C@@H](C)N(C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@H]1CCc2ccccc21 ZINC001454477179 1066289321 /nfs/dbraw/zinc/28/93/21/1066289321.db2.gz SSPJXZBYTMPGKE-DVECYGJZSA-N 0 0 452.595 4.918 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(C)(C)C)n2CCc2cc(Br)ccc2F)no1 ZINC001361053591 1066289456 /nfs/dbraw/zinc/28/94/56/1066289456.db2.gz MHSREZCHJMXIAP-UHFFFAOYSA-N 0 0 450.356 4.653 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)no1 ZINC001361053802 1066289718 /nfs/dbraw/zinc/28/97/18/1066289718.db2.gz RWZIQGGEOUJYBP-INIZCTEOSA-N 0 0 486.935 4.617 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2OCCC2(C)C)no1 ZINC001361053596 1066289733 /nfs/dbraw/zinc/28/97/33/1066289733.db2.gz MLBFZWVRMWTYSO-UZLBHIALSA-N 0 0 459.978 4.819 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(I)ccc1F ZINC001361054109 1066290111 /nfs/dbraw/zinc/29/01/11/1066290111.db2.gz BWDVZYXMQWWCLY-UHFFFAOYSA-N 0 0 455.267 4.567 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCN[C@H](c4cccc(OC)c4)C3)s2)cc1 ZINC001454480099 1066290816 /nfs/dbraw/zinc/29/08/16/1066290816.db2.gz YCVDJECBDSDXIW-QFIPXVFZSA-N 0 0 451.592 4.567 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCOC[C@@H]2C)no1 ZINC001361054715 1066290811 /nfs/dbraw/zinc/29/08/11/1066290811.db2.gz CGNMVZWJBXIGJS-MAUKXSAKSA-N 0 0 474.403 4.621 20 0 JJADRN O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454487876 1066291537 /nfs/dbraw/zinc/29/15/37/1066291537.db2.gz BXQWQISJTRCVEG-QZTJIDSGSA-N 0 0 450.423 4.876 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C2=C(c3ccccc3)SCCO2)c1 ZINC001443297620 1066291267 /nfs/dbraw/zinc/29/12/67/1066291267.db2.gz PWHBCJPVHVAQCL-UHFFFAOYSA-N 0 0 456.564 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2Cc2cccc(NC(=O)CC(C)C)c2)o1 ZINC001361054957 1066292057 /nfs/dbraw/zinc/29/20/57/1066292057.db2.gz MGNZCMSKMGITKD-UHFFFAOYSA-N 0 0 462.554 4.812 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCCC2(C)C)no1 ZINC001361055057 1066293135 /nfs/dbraw/zinc/29/31/35/1066293135.db2.gz QAJYDDAYGJYTQO-JOCHJYFZSA-N 0 0 492.393 4.721 20 0 JJADRN COC(=O)c1cccc(CC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1 ZINC001443303589 1066293170 /nfs/dbraw/zinc/29/31/70/1066293170.db2.gz LUGHFYAIRDSGAH-UHFFFAOYSA-N 0 0 457.530 4.553 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nnc(C)s2)no1 ZINC001361055291 1066293204 /nfs/dbraw/zinc/29/32/04/1066293204.db2.gz UREJJEPDHWVVSG-UHFFFAOYSA-N 0 0 451.600 4.578 20 0 JJADRN CSc1cc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)ccc1Br ZINC001454499846 1066293865 /nfs/dbraw/zinc/29/38/65/1066293865.db2.gz WMKBFMSCGZAXGB-NVXWUHKLSA-N 0 0 471.214 4.882 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC001454499816 1066293876 /nfs/dbraw/zinc/29/38/76/1066293876.db2.gz QONVAOJYSAPVKW-XMMPIXPASA-N 0 0 458.606 4.754 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCOCCC(C)C)no1 ZINC001361055369 1066293731 /nfs/dbraw/zinc/29/37/31/1066293731.db2.gz VTQRBGOGWARYDX-UHFFFAOYSA-N 0 0 462.392 4.703 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)C(F)(F)c2ccccc2F)c2ccc(OC)cc2)n1 ZINC001361055503 1066293807 /nfs/dbraw/zinc/29/38/07/1066293807.db2.gz JMDSAYLKCVLXIY-UHFFFAOYSA-N 0 0 450.438 4.924 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCC2(F)F)no1 ZINC001361055431 1066293842 /nfs/dbraw/zinc/29/38/42/1066293842.db2.gz WTJGXYIZXCHPBA-AWEZNQCLSA-N 0 0 483.361 4.804 20 0 JJADRN O=C(CCC1CCCC1)NCC(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001443309012 1066293900 /nfs/dbraw/zinc/29/39/00/1066293900.db2.gz DHJWSXLHAHYHLH-UHFFFAOYSA-N 0 0 453.627 4.961 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)N(C)C)c1 ZINC001361055542 1066294493 /nfs/dbraw/zinc/29/44/93/1066294493.db2.gz YNPYUPYCRADKKK-SFHVURJKSA-N 0 0 451.640 4.555 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CCCC12CC2)c1ccc(Br)cc1 ZINC001454507009 1066294518 /nfs/dbraw/zinc/29/45/18/1066294518.db2.gz YDGFWGJXGRXOME-KKSFZXQISA-N 0 0 451.405 4.886 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC=C(c2ccccc2)C1)OC ZINC001545956889 1066294596 /nfs/dbraw/zinc/29/45/96/1066294596.db2.gz KQTLQSZSAXMEPC-HXUWFJFHSA-N 0 0 470.415 4.765 20 0 JJADRN O=C(NCc1ccccc1CC(F)(F)F)c1ccc2[nH]cc(I)c2c1 ZINC001454506010 1066294676 /nfs/dbraw/zinc/29/46/76/1066294676.db2.gz QJLPFKMQNDNNPA-UHFFFAOYSA-N 0 0 458.221 4.807 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3F)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)no1 ZINC001361056077 1066294883 /nfs/dbraw/zinc/29/48/83/1066294883.db2.gz BFIADOSSDNCUAO-HXUWFJFHSA-N 0 0 472.565 4.566 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3F)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)no1 ZINC001361056076 1066295010 /nfs/dbraw/zinc/29/50/10/1066295010.db2.gz BFIADOSSDNCUAO-FQEVSTJZSA-N 0 0 472.565 4.566 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545956985 1066295019 /nfs/dbraw/zinc/29/50/19/1066295019.db2.gz MLOMBJSQZOPMKB-VBQJREDUSA-N 0 0 457.363 4.860 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC(F)(F)F)CC2)no1 ZINC001361056041 1066295195 /nfs/dbraw/zinc/29/51/95/1066295195.db2.gz ABNWGOSZGYPEBF-UHFFFAOYSA-N 0 0 482.938 4.806 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2OC)C1 ZINC001546062745 1066295722 /nfs/dbraw/zinc/29/57/22/1066295722.db2.gz WJTRRZWVESMJEW-NSYGIPOTSA-N 0 0 469.561 4.644 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2OC)C1 ZINC001546062744 1066295764 /nfs/dbraw/zinc/29/57/64/1066295764.db2.gz WJTRRZWVESMJEW-GKVSMKOHSA-N 0 0 469.561 4.644 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)no1 ZINC001361056159 1066295771 /nfs/dbraw/zinc/29/57/71/1066295771.db2.gz FGICRVKPPHIMQL-UHFFFAOYSA-N 0 0 475.553 4.668 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361056282 1066295941 /nfs/dbraw/zinc/29/59/41/1066295941.db2.gz KFNHWHYJKXSTRC-HXUWFJFHSA-N 0 0 480.613 4.833 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(Nc3ccc(F)cc3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001454529176 1066296533 /nfs/dbraw/zinc/29/65/33/1066296533.db2.gz CJGQIEAKGUJLII-YADHBBJMSA-N 0 0 473.976 4.753 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCc2sc(C)nc2C)no1 ZINC001361056470 1066296539 /nfs/dbraw/zinc/29/65/39/1066296539.db2.gz QUCNTUSBAAGUJI-UHFFFAOYSA-N 0 0 460.966 4.986 20 0 JJADRN Cc1ccc2c(C(=O)NCC(=O)c3ccc(Cl)cc3F)cc(-c3cnn(C)c3)nc2c1C ZINC001454538423 1066297131 /nfs/dbraw/zinc/29/71/31/1066297131.db2.gz AXPJNNVWFQZYLQ-UHFFFAOYSA-N 0 0 450.901 4.657 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1[nH]c2ccccc2c1Br)C1CC1 ZINC001443339782 1066297207 /nfs/dbraw/zinc/29/72/07/1066297207.db2.gz GUMSUGQYERJPJA-LJQANCHMSA-N 0 0 455.352 4.709 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001443338826 1066297255 /nfs/dbraw/zinc/29/72/55/1066297255.db2.gz ARWULUGRQHARHV-ZWKOTPCHSA-N 0 0 462.978 4.522 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc(Cl)cc(Br)c3F)ccc2NC1=O ZINC001361056808 1066297682 /nfs/dbraw/zinc/29/76/82/1066297682.db2.gz CGSUTTJCDZSALU-PSLIRLAXSA-N 0 0 455.711 4.842 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3nccc4c(Br)cccc43)ccc2NC1=O ZINC001361057102 1066297714 /nfs/dbraw/zinc/29/77/14/1066297714.db2.gz IXXCEHZIPZHILP-XIKOKIGWSA-N 0 0 454.324 4.598 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545957264 1066297757 /nfs/dbraw/zinc/29/77/57/1066297757.db2.gz SJNWSQYGYGACCN-VQTJNVASSA-N 0 0 494.640 4.578 20 0 JJADRN CCON(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)[C@@H](C)c1cccc(Br)c1 ZINC001454540053 1066297933 /nfs/dbraw/zinc/29/79/33/1066297933.db2.gz LMDXHFDOODDAAT-HNNXBMFYSA-N 0 0 459.315 4.894 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3nc4ccccc4cc3Br)ccc2NC1=O ZINC001361057873 1066298321 /nfs/dbraw/zinc/29/83/21/1066298321.db2.gz UUEOHHBIRLEWBR-SGTLLEGYSA-N 0 0 454.324 4.598 20 0 JJADRN CCON(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@@H](C)c1cccc(Br)c1 ZINC001454541167 1066298354 /nfs/dbraw/zinc/29/83/54/1066298354.db2.gz MDRTVWHJODCROO-BTYIYWSLSA-N 0 0 458.356 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC001443352612 1066298446 /nfs/dbraw/zinc/29/84/46/1066298446.db2.gz BLIXSSRGCZUKPC-SFHVURJKSA-N 0 0 458.946 4.715 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)cc21 ZINC001361058476 1066298523 /nfs/dbraw/zinc/29/85/23/1066298523.db2.gz FORRDEJFMMMOEQ-UHFFFAOYSA-N 0 0 457.456 4.544 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCc2ccccn2)cc1 ZINC001443355766 1066299396 /nfs/dbraw/zinc/29/93/96/1066299396.db2.gz GVIRRSJSFKSWBW-AREMUKBSSA-N 0 0 451.526 4.640 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361059770 1066299481 /nfs/dbraw/zinc/29/94/81/1066299481.db2.gz FJQPFSFYDYNECZ-PRKAKTJASA-N 0 0 497.684 4.889 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CN1C(=O)OC(C)(C)C ZINC001454549782 1066299727 /nfs/dbraw/zinc/29/97/27/1066299727.db2.gz SANMKXUULOPGJH-WBVHZDCISA-N 0 0 451.995 4.964 20 0 JJADRN C[C@H](CNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1 ZINC001454547986 1066299914 /nfs/dbraw/zinc/29/99/14/1066299914.db2.gz FKVBNQROVLVVMM-MRXNPFEDSA-N 0 0 451.452 4.882 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CN1C(=O)OC(C)(C)C ZINC001454547920 1066299941 /nfs/dbraw/zinc/29/99/41/1066299941.db2.gz JZHMDOQPYONUGZ-OXQOHEQNSA-N 0 0 451.567 4.706 20 0 JJADRN Cc1cc(CN(C)c2nnc(CC(C)C)n2Cc2ccnc(Oc3ccccc3F)c2)no1 ZINC001361061049 1066300553 /nfs/dbraw/zinc/30/05/53/1066300553.db2.gz CCAGOXPXJDCCNE-UHFFFAOYSA-N 0 0 450.518 4.784 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCCC3)n2CCCNc2ccc(C(F)(F)F)cn2)no1 ZINC001361060898 1066300820 /nfs/dbraw/zinc/30/08/20/1066300820.db2.gz YGIUSQMGXWJJOK-UHFFFAOYSA-N 0 0 463.508 4.785 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@@H](C)C2)no1 ZINC001361061636 1066301174 /nfs/dbraw/zinc/30/11/74/1066301174.db2.gz QHDAJQQHKZDZMZ-MJGOQNOKSA-N 0 0 472.634 4.762 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 ZINC001361061120 1066301282 /nfs/dbraw/zinc/30/12/82/1066301282.db2.gz DVJOWNPUPWDJCD-QHCPKHFHSA-N 0 0 495.624 4.789 20 0 JJADRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001443359117 1066301344 /nfs/dbraw/zinc/30/13/44/1066301344.db2.gz HPIBEGHPBRBDJC-VWLOTQADSA-N 0 0 452.555 4.935 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3cccnc3)n2Cc2c(C)sc(C)c2Br)no1 ZINC001361062904 1066301603 /nfs/dbraw/zinc/30/16/03/1066301603.db2.gz APJFJMSHIWHJEA-UHFFFAOYSA-N 0 0 487.427 4.686 20 0 JJADRN CC(C)C[C@@H](CC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001454571010 1066301702 /nfs/dbraw/zinc/30/17/02/1066301702.db2.gz GXMBWDNQTYOEPV-FHWLQOOXSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361063165 1066302079 /nfs/dbraw/zinc/30/20/79/1066302079.db2.gz GCMKPFFBYBXAFX-UHFFFAOYSA-N 0 0 452.484 4.671 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC001443365848 1066302230 /nfs/dbraw/zinc/30/22/30/1066302230.db2.gz CMLZLGDLNXEFQG-UHFFFAOYSA-N 0 0 451.939 4.901 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)N(C)[C@H]3CCCCN(C)C3=O)c2c1C ZINC001454572731 1066302387 /nfs/dbraw/zinc/30/23/87/1066302387.db2.gz WOWZBEFYAXRQSB-KRWDZBQOSA-N 0 0 454.621 4.542 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001454571978 1066302423 /nfs/dbraw/zinc/30/24/23/1066302423.db2.gz MGKQYXVCORAEDB-UHFFFAOYSA-N 0 0 454.615 4.825 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361063962 1066302589 /nfs/dbraw/zinc/30/25/89/1066302589.db2.gz WASCLSLDASVZRD-HHHXNRCGSA-N 0 0 460.626 4.649 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361063963 1066302696 /nfs/dbraw/zinc/30/26/96/1066302696.db2.gz WASCLSLDASVZRD-MHZLTWQESA-N 0 0 460.626 4.649 20 0 JJADRN COc1ccc(-c2csc(NC(=O)c3cc(C)n(C[C@@H]4CCCOC4)c3C)n2)cc1OC ZINC001443367233 1066302966 /nfs/dbraw/zinc/30/29/66/1066302966.db2.gz FRNUMUXSCBMRPR-KRWDZBQOSA-N 0 0 455.580 4.925 20 0 JJADRN COc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2C=O)cc1 ZINC001443367562 1066303117 /nfs/dbraw/zinc/30/31/17/1066303117.db2.gz HFBJKZJUCWMRSK-UHFFFAOYSA-N 0 0 452.923 4.787 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H]2CCCO[C@H]21 ZINC001361064226 1066303336 /nfs/dbraw/zinc/30/33/36/1066303336.db2.gz YSKQNUCIUJTZCQ-XUVXKRRUSA-N 0 0 457.368 4.635 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)NC(=O)OC(C)(C)C ZINC001443381298 1066303489 /nfs/dbraw/zinc/30/34/89/1066303489.db2.gz YVSUNXPAISJHRT-IBGZPJMESA-N 0 0 455.555 4.846 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361064435 1066303651 /nfs/dbraw/zinc/30/36/51/1066303651.db2.gz DSVCMIQARRUYBL-GBXCKJPGSA-N 0 0 467.614 4.674 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361064436 1066303685 /nfs/dbraw/zinc/30/36/85/1066303685.db2.gz DSVCMIQARRUYBL-HYBUGGRVSA-N 0 0 467.614 4.674 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361064582 1066303704 /nfs/dbraw/zinc/30/37/04/1066303704.db2.gz KFLOFXCSENCRMI-XUZZJYLKSA-N 0 0 481.666 4.666 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2Cc2cccs2)no1 ZINC001361064507 1066303834 /nfs/dbraw/zinc/30/38/34/1066303834.db2.gz HLQSDWMNYZFFSP-UHFFFAOYSA-N 0 0 474.384 4.662 20 0 JJADRN CCc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cnn1-c1ccccc1C ZINC001454575128 1066303686 /nfs/dbraw/zinc/30/36/86/1066303686.db2.gz DUEJUVOSIZPZJY-IBGZPJMESA-N 0 0 454.615 4.899 20 0 JJADRN CN(C)[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1c(F)cccc1Cl ZINC001454577072 1066303913 /nfs/dbraw/zinc/30/39/13/1066303913.db2.gz HOIWJESSVAFQIK-KXBFYZLASA-N 0 0 456.002 4.624 20 0 JJADRN CCCc1c(C(=O)N2CCCc3cc(OC)ccc3C2)cnn1-c1cc(F)c(OC)cc1F ZINC001443383177 1066304031 /nfs/dbraw/zinc/30/40/31/1066304031.db2.gz DQRKPYJHJUHSCV-UHFFFAOYSA-N 0 0 455.505 4.709 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C)c3)n2CCc2csc(C(C)C)n2)n1 ZINC001361064643 1066304405 /nfs/dbraw/zinc/30/44/05/1066304405.db2.gz MTFUCXJZIOXETD-UHFFFAOYSA-N 0 0 463.655 4.907 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2cn(C(F)F)c3ccccc23)cc(Br)c1O ZINC001454578605 1066304252 /nfs/dbraw/zinc/30/42/52/1066304252.db2.gz UVTZOBJDFMVOQW-VOTSOKGWSA-N 0 0 451.267 4.843 20 0 JJADRN CSCCc1ccccc1NC(=O)CCC(=O)c1ccc(I)cc1 ZINC001454580883 1066304497 /nfs/dbraw/zinc/30/44/97/1066304497.db2.gz ALVNBOCFYBLSQH-UHFFFAOYSA-N 0 0 453.345 4.798 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC(Oc3ccncc3)C2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001443386913 1066304565 /nfs/dbraw/zinc/30/45/65/1066304565.db2.gz OMMLBNMUDCIJJM-UHFFFAOYSA-N 0 0 457.317 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3ccc(Cl)c(Cl)c3N)cccc2C1 ZINC001454583710 1066304702 /nfs/dbraw/zinc/30/47/02/1066304702.db2.gz MFWHKVIKQZKXMB-UHFFFAOYSA-N 0 0 450.366 4.799 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc2)n1 ZINC001454586086 1066304840 /nfs/dbraw/zinc/30/48/40/1066304840.db2.gz YOFFNUOERRCOBD-OAQYLSRUSA-N 0 0 454.615 4.574 20 0 JJADRN C[C@@H](C(=O)Nc1cc(Br)ccc1Sc1nncn1C)c1ccc(F)c(F)c1 ZINC001361065801 1066305164 /nfs/dbraw/zinc/30/51/64/1066305164.db2.gz GNGMIRJQEGACPB-SNVBAGLBSA-N 0 0 453.312 4.749 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)c1cccc2c1OCC2(C)C ZINC001361065898 1066305267 /nfs/dbraw/zinc/30/52/67/1066305267.db2.gz KFLQMHGWPJFZHV-UHFFFAOYSA-N 0 0 459.369 4.651 20 0 JJADRN Cc1cccc2[nH]cc(CCNC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)c21 ZINC001443392628 1066305325 /nfs/dbraw/zinc/30/53/25/1066305325.db2.gz OFVXBVQDYPZJIV-UHFFFAOYSA-N 0 0 453.505 4.715 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001454586287 1066305433 /nfs/dbraw/zinc/30/54/33/1066305433.db2.gz ICUJJNVOLFNCDC-IUODEOHRSA-N 0 0 453.402 4.720 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001454590646 1066305959 /nfs/dbraw/zinc/30/59/59/1066305959.db2.gz VGMWHPKBVNYWNG-QFBILLFUSA-N 0 0 459.587 4.502 20 0 JJADRN CCCC[C@H](O)CCC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454592541 1066306199 /nfs/dbraw/zinc/30/61/99/1066306199.db2.gz FOUJNWMCPJRUEZ-DLBZAZTESA-N 0 0 454.405 4.942 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)Cc2cccs2)no1 ZINC001361066770 1066306853 /nfs/dbraw/zinc/30/68/53/1066306853.db2.gz RNLQVBAGAPYIRW-INIZCTEOSA-N 0 0 455.559 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N(Cc3cccc(F)c3)C3CCCC3)=NO2)C1 ZINC001443409678 1066307113 /nfs/dbraw/zinc/30/71/13/1066307113.db2.gz RCQWPVLSPUOHPX-VWLOTQADSA-N 0 0 459.562 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N(Cc3cccc(F)c3)C3CCCC3)=NO2)C1 ZINC001443409668 1066307163 /nfs/dbraw/zinc/30/71/63/1066307163.db2.gz RCQWPVLSPUOHPX-RUZDIDTESA-N 0 0 459.562 4.643 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)COCc2ccccc2)no1 ZINC001361066960 1066307229 /nfs/dbraw/zinc/30/72/29/1066307229.db2.gz ZFIQKDMJFXFYQN-WUMKDDEVSA-N 0 0 481.641 4.982 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)s3)c2N1 ZINC001454596879 1066307423 /nfs/dbraw/zinc/30/74/23/1066307423.db2.gz IEQQLGGUINJWGY-PRHODGIISA-N 0 0 476.406 4.980 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)NCC3(Sc4ccccc4)CCCC3)cn12 ZINC001443411767 1066307997 /nfs/dbraw/zinc/30/79/97/1066307997.db2.gz YDSSQCPCLKTVSU-UHFFFAOYSA-N 0 0 458.381 4.744 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC)NC(=O)OC(C)(C)C ZINC001545958309 1066308023 /nfs/dbraw/zinc/30/80/23/1066308023.db2.gz AUFMDSRMGZXPKQ-AWEZNQCLSA-N 0 0 470.387 4.606 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2sc(C)nc2C)C1 ZINC001546063795 1066308131 /nfs/dbraw/zinc/30/81/31/1066308131.db2.gz CFUNPECDTFANCM-FQEVSTJZSA-N 0 0 463.449 4.978 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC001443415153 1066308517 /nfs/dbraw/zinc/30/85/17/1066308517.db2.gz WPQHLQXUGMXEKD-INIZCTEOSA-N 0 0 457.496 4.923 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1)C1CC1 ZINC001454601135 1066308569 /nfs/dbraw/zinc/30/85/69/1066308569.db2.gz ZZZXNPTUHCXVEQ-CQSZACIVSA-N 0 0 456.490 4.856 20 0 JJADRN CCCN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001361069085 1066308878 /nfs/dbraw/zinc/30/88/78/1066308878.db2.gz QEEGVQUKKOELQJ-GOTSBHOMSA-N 0 0 457.590 4.671 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001492597848 1066308916 /nfs/dbraw/zinc/30/89/16/1066308916.db2.gz HBCSEHQJKIULDX-LJQANCHMSA-N 0 0 457.022 4.944 20 0 JJADRN COc1ccc2cc([C@@H](C)OC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3F)ccc2c1 ZINC001361069628 1066308935 /nfs/dbraw/zinc/30/89/35/1066308935.db2.gz YDEGFVXQBVMUCX-MRXNPFEDSA-N 0 0 459.539 4.934 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545958378 1066309159 /nfs/dbraw/zinc/30/91/59/1066309159.db2.gz BRKIJUOEEPCLQF-ZBFHGGJFSA-N 0 0 481.439 4.575 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001492597843 1066309018 /nfs/dbraw/zinc/30/90/18/1066309018.db2.gz HBCSEHQJKIULDX-IBGZPJMESA-N 0 0 457.022 4.944 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cs1 ZINC001361070159 1066309584 /nfs/dbraw/zinc/30/95/84/1066309584.db2.gz DQBOAGIWWOXQFJ-UFYCRDLUSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCc2cccs2)no1 ZINC001361070416 1066309809 /nfs/dbraw/zinc/30/98/09/1066309809.db2.gz MFUXNVZOFNDHMG-UHFFFAOYSA-N 0 0 458.385 4.793 20 0 JJADRN CC(C)Cc1cccc([C@H](C)C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)c1 ZINC001454608739 1066309820 /nfs/dbraw/zinc/30/98/20/1066309820.db2.gz OEOAPEAEQCVTNH-SFHVURJKSA-N 0 0 457.412 4.622 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccsc1)OC ZINC001545958410 1066310013 /nfs/dbraw/zinc/31/00/13/1066310013.db2.gz CFQKGJXMWKLYRJ-NVXWUHKLSA-N 0 0 450.406 4.864 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC001361070332 1066309919 /nfs/dbraw/zinc/30/99/19/1066309919.db2.gz JGNAIOIPCHUFCE-SFHVURJKSA-N 0 0 485.629 4.670 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)no1 ZINC001361070487 1066310104 /nfs/dbraw/zinc/31/01/04/1066310104.db2.gz NKRJKNLQOBFJIA-OSPHWJPCSA-N 0 0 457.550 4.543 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545958400 1066310118 /nfs/dbraw/zinc/31/01/18/1066310118.db2.gz BZGOFSGZNSTKAP-RDTXWAMCSA-N 0 0 498.347 4.997 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2cccn2)C1 ZINC001546063858 1066310343 /nfs/dbraw/zinc/31/03/43/1066310343.db2.gz DUNVRGYCULEXEB-QFIPXVFZSA-N 0 0 473.419 4.629 20 0 JJADRN CC[C@](C)(NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccc(F)cc1 ZINC001454623923 1066310462 /nfs/dbraw/zinc/31/04/62/1066310462.db2.gz JRQLQQYLPIFVIA-VWLOTQADSA-N 0 0 454.567 4.668 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C(F)(F)F)C2)no1 ZINC001361070796 1066310558 /nfs/dbraw/zinc/31/05/58/1066310558.db2.gz VGSSHAOLACZQNG-YJBOKZPZSA-N 0 0 499.921 4.801 20 0 JJADRN O=C([C@@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC001443434255 1066310645 /nfs/dbraw/zinc/31/06/45/1066310645.db2.gz SPIJKUXQEAXRNU-QZTJIDSGSA-N 0 0 454.514 4.500 20 0 JJADRN CN(CCOc1cccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1)C(=O)OC(C)(C)C ZINC001454626481 1066310849 /nfs/dbraw/zinc/31/08/49/1066310849.db2.gz HDESRHORILLMFP-KSEOMHKRSA-N 0 0 456.970 4.654 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)[C@H]2C)cs1 ZINC001361071024 1066310770 /nfs/dbraw/zinc/31/07/70/1066310770.db2.gz BTUUXMZPAFGXPD-KGLIPLIRSA-N 0 0 466.474 4.795 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C(F)F)C2)cs1 ZINC001361070950 1066310950 /nfs/dbraw/zinc/31/09/50/1066310950.db2.gz ZHQKAHNSZGKLMF-CQSZACIVSA-N 0 0 470.387 4.946 20 0 JJADRN O=C(CSCC(=O)N1CCCCC1)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001454627128 1066311126 /nfs/dbraw/zinc/31/11/26/1066311126.db2.gz JTGLWXXWLLHQPT-QGZVFWFLSA-N 0 0 459.837 4.512 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545958530 1066311434 /nfs/dbraw/zinc/31/14/34/1066311434.db2.gz FYIRLDFVCUIHNP-GGAORHGYSA-N 0 0 499.656 4.652 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545958531 1066311463 /nfs/dbraw/zinc/31/14/63/1066311463.db2.gz FYIRLDFVCUIHNP-GMAHTHKFSA-N 0 0 499.656 4.652 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)NCCC2(O)CCN(c3ccccc3)CC2)c1 ZINC001454626978 1066311230 /nfs/dbraw/zinc/31/12/30/1066311230.db2.gz VISKHYBIKJTYAG-UHFFFAOYSA-N 0 0 458.602 4.654 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)no1 ZINC001361071445 1066311942 /nfs/dbraw/zinc/31/19/42/1066311942.db2.gz KBCFDEGNUPAEBE-ZDUSSCGKSA-N 0 0 489.329 4.669 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)c2nccs2)no1 ZINC001361072100 1066312606 /nfs/dbraw/zinc/31/26/06/1066312606.db2.gz VWDFQVLAQSMVKP-LLVKDONJSA-N 0 0 479.429 4.810 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1ccncc1Br ZINC001454636105 1066312904 /nfs/dbraw/zinc/31/29/04/1066312904.db2.gz FWBNZXUSLQDNFG-UHFFFAOYSA-N 0 0 450.340 4.767 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1 ZINC001454633459 1066313202 /nfs/dbraw/zinc/31/32/02/1066313202.db2.gz KNJLEJBDUXUPFY-HKBQPEDESA-N 0 0 459.955 4.857 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1)NC(=O)OC(C)(C)C ZINC001545958778 1066313032 /nfs/dbraw/zinc/31/30/32/1066313032.db2.gz KQXZBBLWKWWGON-LJQANCHMSA-N 0 0 499.015 4.565 20 0 JJADRN O=C(NCc1ccncc1Br)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001454635819 1066313253 /nfs/dbraw/zinc/31/32/53/1066313253.db2.gz BEXYNBNXBPUNJA-UHFFFAOYSA-N 0 0 459.775 4.882 20 0 JJADRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H]1COc2ccc(Br)cc21 ZINC001361072620 1066313541 /nfs/dbraw/zinc/31/35/41/1066313541.db2.gz JFXODVBFOBQEGY-AWEZNQCLSA-N 0 0 450.745 4.660 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001443457389 1066314111 /nfs/dbraw/zinc/31/41/11/1066314111.db2.gz MDVVVSGWBZJLDH-VQTJNVASSA-N 0 0 452.599 4.937 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1 ZINC001443456496 1066314227 /nfs/dbraw/zinc/31/42/27/1066314227.db2.gz LOTNJVLDENWEPC-FQEVSTJZSA-N 0 0 450.558 4.673 20 0 JJADRN O=C(Cc1ccc(-n2ccnc2)cc1)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001443457369 1066314260 /nfs/dbraw/zinc/31/42/60/1066314260.db2.gz IGFGBRUGPWMIAU-NRFANRHFSA-N 0 0 457.361 4.741 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)cs1 ZINC001361073286 1066314242 /nfs/dbraw/zinc/31/42/42/1066314242.db2.gz GRIQFBCMZNYWEO-UHFFFAOYSA-N 0 0 488.951 4.765 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c(C)coc2C)C1 ZINC001546064093 1066314350 /nfs/dbraw/zinc/31/43/50/1066314350.db2.gz IXICTBCNRFGGDY-RUZDIDTESA-N 0 0 454.571 4.855 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073470 1066314466 /nfs/dbraw/zinc/31/44/66/1066314466.db2.gz KEOULCUDTQZJGE-WOJBJXKFSA-N 0 0 480.613 4.728 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073718 1066314596 /nfs/dbraw/zinc/31/45/96/1066314596.db2.gz OGNFYSGZWIMYDS-MSOLQXFVSA-N 0 0 484.576 4.559 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)Cc1ccc(O)cc1 ZINC001443460733 1066314581 /nfs/dbraw/zinc/31/45/81/1066314581.db2.gz JIUTVCFUVHIALN-MOJYJUKOSA-N 0 0 455.963 4.935 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)Cc1ccc(O)cc1 ZINC001443463080 1066314639 /nfs/dbraw/zinc/31/46/39/1066314639.db2.gz PDAOCZDRYCYWAV-ALDSOSFCSA-N 0 0 455.963 4.796 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(C)cc3Br)c2)cn1 ZINC001361074038 1066315178 /nfs/dbraw/zinc/31/51/78/1066315178.db2.gz RSEJFVHEKYWWJC-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545959459 1066315232 /nfs/dbraw/zinc/31/52/32/1066315232.db2.gz WHGOPIUGCQOTBB-NRSPTQNISA-N 0 0 490.048 4.907 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959485 1066315378 /nfs/dbraw/zinc/31/53/78/1066315378.db2.gz WUFLHZDRADOEMY-IBGZPJMESA-N 0 0 457.619 4.883 20 0 JJADRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454654541 1066315309 /nfs/dbraw/zinc/31/53/09/1066315309.db2.gz IAJYQKHGQAVOPK-IEZWGBDMSA-N 0 0 451.405 4.943 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001454653509 1066315572 /nfs/dbraw/zinc/31/55/72/1066315572.db2.gz BNQPKDZOPUAXBE-SUMDDJOVSA-N 0 0 451.405 4.943 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)no1 ZINC001361075080 1066315625 /nfs/dbraw/zinc/31/56/25/1066315625.db2.gz ZIOQUUNWJFCHKJ-SFHVURJKSA-N 0 0 459.323 4.527 20 0 JJADRN Cc1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(Br)s2)ccc1F ZINC001361074422 1066315755 /nfs/dbraw/zinc/31/57/55/1066315755.db2.gz BMHWROFHTBQKKT-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959486 1066315660 /nfs/dbraw/zinc/31/56/60/1066315660.db2.gz WUFLHZDRADOEMY-LJQANCHMSA-N 0 0 457.619 4.883 20 0 JJADRN C[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)N1CCCC[C@@H]1C ZINC001443469529 1066315769 /nfs/dbraw/zinc/31/57/69/1066315769.db2.gz VFSJIBHEIOOTAE-ZWKOTPCHSA-N 0 0 450.970 4.712 20 0 JJADRN COc1ccc(NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)cc1-n1cnnn1 ZINC001361075994 1066316165 /nfs/dbraw/zinc/31/61/65/1066316165.db2.gz SIAKAUDNLLZRTD-UHFFFAOYSA-N 0 0 455.902 4.867 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)ccc1F ZINC001361076738 1066316651 /nfs/dbraw/zinc/31/66/51/1066316651.db2.gz BUGBIKGWJGJURS-LMNJBCLMSA-N 0 0 475.584 4.683 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CCC(C)CC2)no1 ZINC001361076740 1066316727 /nfs/dbraw/zinc/31/67/27/1066316727.db2.gz BWIHQKFWFVIZGU-UHFFFAOYSA-N 0 0 472.634 4.752 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC)C1)Oc1cccc(F)c1 ZINC001545959082 1066316712 /nfs/dbraw/zinc/31/67/12/1066316712.db2.gz PLXDGSAYAKXXGP-IEBWSBKVSA-N 0 0 492.393 4.648 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)N3CCCCC[C@@H](NC(=O)OC(C)(C)C)C3)c21 ZINC001454657390 1066316697 /nfs/dbraw/zinc/31/66/97/1066316697.db2.gz UTMKFKAYFKFLEA-QGZVFWFLSA-N 0 0 458.603 4.698 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454657413 1066316753 /nfs/dbraw/zinc/31/67/53/1066316753.db2.gz UXYJVODTTNKTHT-RDJZCZTQSA-N 0 0 455.393 4.512 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccc(F)cc2)no1 ZINC001361077534 1066317097 /nfs/dbraw/zinc/31/70/97/1066317097.db2.gz SPLYSPPREZDCHE-UHFFFAOYSA-N 0 0 484.576 4.513 20 0 JJADRN Cc1c2cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)[nH]c2ccc1Br ZINC001443490416 1066317181 /nfs/dbraw/zinc/31/71/81/1066317181.db2.gz OXWWEDLUSSQBLS-OAQYLSRUSA-N 0 0 450.377 4.662 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)ccc1F ZINC001361077506 1066317175 /nfs/dbraw/zinc/31/71/75/1066317175.db2.gz RNABHXMPINNDPE-IEBWSBKVSA-N 0 0 456.484 4.563 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2CCOC2)C1 ZINC001546064257 1066317549 /nfs/dbraw/zinc/31/75/49/1066317549.db2.gz LXDKPCKLAKJKOB-VFNWGFHPSA-N 0 0 451.384 4.900 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cc(Br)cs2)cs1 ZINC001361077778 1066317643 /nfs/dbraw/zinc/31/76/43/1066317643.db2.gz ZNVKLYRIGWNORH-CQSZACIVSA-N 0 0 453.431 4.661 20 0 JJADRN Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001361077982 1066317733 /nfs/dbraw/zinc/31/77/33/1066317733.db2.gz GSGNOIAFRGMGOH-UHFFFAOYSA-N 0 0 484.494 4.913 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2CCOC2)C1 ZINC001546064255 1066317665 /nfs/dbraw/zinc/31/76/65/1066317665.db2.gz LXDKPCKLAKJKOB-BTYIYWSLSA-N 0 0 451.384 4.900 20 0 JJADRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CCc1ccccc1N1CCOCC1 ZINC001454663593 1066317682 /nfs/dbraw/zinc/31/76/82/1066317682.db2.gz YHKIVFOAPVZMGN-RXVVDRJESA-N 0 0 457.412 4.623 20 0 JJADRN O=C(CNC(=O)c1ccccc1NCc1ccccc1Cl)c1cncc(Br)c1 ZINC001454670315 1066318163 /nfs/dbraw/zinc/31/81/63/1066318163.db2.gz JIBZDCLVBVPZNB-UHFFFAOYSA-N 0 0 458.743 4.722 20 0 JJADRN Cc1cc(Cn2c(CC(C)C)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361078453 1066318327 /nfs/dbraw/zinc/31/83/27/1066318327.db2.gz UHKGTROWAYLIKB-QUCCMNQESA-N 0 0 459.610 4.712 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001545959228 1066318579 /nfs/dbraw/zinc/31/85/79/1066318579.db2.gz SABNMKDINKVXIY-YQQAZPJKSA-N 0 0 492.393 4.646 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001546064270 1066318423 /nfs/dbraw/zinc/31/84/23/1066318423.db2.gz MHNKIXSMCIXODH-RRPNLBNLSA-N 0 0 498.672 4.523 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c(OC)c1 ZINC001361079124 1066318856 /nfs/dbraw/zinc/31/88/56/1066318856.db2.gz QOLLTGHJYBXBNR-UYAOXDASSA-N 0 0 451.592 4.913 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)c2cc(Br)c(C)cc2Br)o1 ZINC001443495704 1066319202 /nfs/dbraw/zinc/31/92/02/1066319202.db2.gz UIUZFKVGHNWXSK-UHFFFAOYSA-N 0 0 453.134 4.919 20 0 JJADRN CC(C)(C)c1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c(=O)[nH]1 ZINC001454686694 1066319327 /nfs/dbraw/zinc/31/93/27/1066319327.db2.gz LIMWXRVYCMJESQ-UHFFFAOYSA-N 0 0 456.340 4.965 20 0 JJADRN CC(C)(NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)c1nc2cc(Cl)ccc2o1 ZINC001454688567 1066319526 /nfs/dbraw/zinc/31/95/26/1066319526.db2.gz GITNUHMJLOJQJQ-UHFFFAOYSA-N 0 0 456.955 4.805 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H]2CCCCO2)C1 ZINC001546064432 1066319549 /nfs/dbraw/zinc/31/95/49/1066319549.db2.gz OTCPITDRICHBEZ-UQBPGWFLSA-N 0 0 458.603 4.557 20 0 JJADRN CCc1c(NC(=O)Cn2cc(C=O)c3ccccc32)n[nH]c1-c1ccc(Br)cc1 ZINC001443500546 1066319812 /nfs/dbraw/zinc/31/98/12/1066319812.db2.gz QBEOFYURGNLVDR-UHFFFAOYSA-N 0 0 451.324 4.808 20 0 JJADRN COc1cc(/C=C/C(=O)NC[C@]2(O)CCCC(C)(C)CC2)ccc1OCc1c(C)noc1C ZINC001454690784 1066319753 /nfs/dbraw/zinc/31/97/53/1066319753.db2.gz UJYGTAKRABFHGN-QQOLHMHLSA-N 0 0 456.583 4.730 20 0 JJADRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(I)c(Cl)c1 ZINC001443503050 1066320054 /nfs/dbraw/zinc/32/00/54/1066320054.db2.gz XLUAVLURJZGKTO-NSHDSACASA-N 0 0 453.711 4.805 20 0 JJADRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(I)c(Cl)c1 ZINC001443503036 1066320119 /nfs/dbraw/zinc/32/01/19/1066320119.db2.gz XLUAVLURJZGKTO-LLVKDONJSA-N 0 0 453.711 4.805 20 0 JJADRN Cc1cc(Cn2c(CCOc3ccccc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cs1 ZINC001361081259 1066320084 /nfs/dbraw/zinc/32/00/84/1066320084.db2.gz LDOGDFBAIDSHQX-UHFFFAOYSA-N 0 0 490.555 4.707 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)cc2)n1 ZINC001361081668 1066320543 /nfs/dbraw/zinc/32/05/43/1066320543.db2.gz KGHKCXKZPHHMTP-UHFFFAOYSA-N 0 0 457.486 4.991 20 0 JJADRN Cc1ccccc1-c1csc(NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)n1 ZINC001443506514 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REOFMONEBGYQFY-NHCUHLMSSA-N 0 0 487.592 4.663 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCCCO2)no1 ZINC001361082025 1066321205 /nfs/dbraw/zinc/32/12/05/1066321205.db2.gz ZQUZYELUMYAOFM-JOCHJYFZSA-N 0 0 453.587 4.505 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)Nc2ccccc2)C1 ZINC001546064552 1066321109 /nfs/dbraw/zinc/32/11/09/1066321109.db2.gz RJZMBBYNUWPHOC-QHCPKHFHSA-N 0 0 485.430 4.701 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCc4cc(C)cc(Br)c4C3)n2)n1 ZINC001454695731 1066321142 /nfs/dbraw/zinc/32/11/42/1066321142.db2.gz XULSNGCWYNKNCK-UHFFFAOYSA-N 0 0 459.775 4.807 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)cc1 ZINC001443511802 1066321305 /nfs/dbraw/zinc/32/13/05/1066321305.db2.gz AAYKCTKVPKTWDO-UHFFFAOYSA-N 0 0 450.488 4.693 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001546064573 1066321448 /nfs/dbraw/zinc/32/14/48/1066321448.db2.gz RTHOTRUZOVQINM-QCIUDXLNSA-N 0 0 472.630 4.658 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC001361082827 1066321707 /nfs/dbraw/zinc/32/17/07/1066321707.db2.gz LJVYCJPQERRTJM-RDJZCZTQSA-N 0 0 454.792 4.881 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(OC)cc2)C1 ZINC001546064586 1066321928 /nfs/dbraw/zinc/32/19/28/1066321928.db2.gz RYARMQOYQCCSJU-QHCPKHFHSA-N 0 0 472.431 4.924 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001546064600 1066322137 /nfs/dbraw/zinc/32/21/37/1066322137.db2.gz SJHROZCPKKWPIM-XXBNENTESA-N 0 0 467.992 4.581 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)NC[C@H](n3cncn3)C(F)(F)F)cc2s1 ZINC001454700560 1066322178 /nfs/dbraw/zinc/32/21/78/1066322178.db2.gz GLKMFCGWDNILIY-AWEZNQCLSA-N 0 0 452.487 4.535 20 0 JJADRN Cc1cc(Cn2c(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)ccc1F ZINC001361083458 1066322071 /nfs/dbraw/zinc/32/20/71/1066322071.db2.gz DZLRTRBIMOJMDX-MJGOQNOKSA-N 0 0 459.610 4.811 20 0 JJADRN Cc1cc(Cn2c(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)ccc1F ZINC001361083460 1066322131 /nfs/dbraw/zinc/32/21/31/1066322131.db2.gz DZLRTRBIMOJMDX-PKOBYXMFSA-N 0 0 459.610 4.811 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cs1 ZINC001361084487 1066323277 /nfs/dbraw/zinc/32/32/77/1066323277.db2.gz TUUPELWQDUQIJX-SCLBCKFNSA-N 0 0 470.492 4.570 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1)OC ZINC001545959627 1066323749 /nfs/dbraw/zinc/32/37/49/1066323749.db2.gz ZKHGKJZGIIMFIG-UMVBOHGHSA-N 0 0 457.413 4.602 20 0 JJADRN Cc1nc(Br)sc1C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC001443531303 1066323755 /nfs/dbraw/zinc/32/37/55/1066323755.db2.gz MIHQCQCVSWODHF-MRVPVSSYSA-N 0 0 450.221 4.887 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(CCO)(CCO)CC1 ZINC001454710410 1066324246 /nfs/dbraw/zinc/32/42/46/1066324246.db2.gz MTNBMUFTWIYRAT-UHFFFAOYSA-N 0 0 455.382 4.588 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)Sc1ccc(Br)cc1 ZINC001443531760 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CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 ZINC001454718228 1066326076 /nfs/dbraw/zinc/32/60/76/1066326076.db2.gz ROTKGIFANQHAIX-KRWDZBQOSA-N 0 0 453.605 4.927 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1CC(C)(C)N1CCOCC1 ZINC001361087325 1066326127 /nfs/dbraw/zinc/32/61/27/1066326127.db2.gz GXZVSXHSTPERMY-UHFFFAOYSA-N 0 0 492.108 4.845 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(OC)cc3F)c2)cc1 ZINC001454720542 1066326202 /nfs/dbraw/zinc/32/62/02/1066326202.db2.gz YDMMUDDJYZCLMW-UHFFFAOYSA-N 0 0 458.511 4.595 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2OC)C1 ZINC001546064799 1066326562 /nfs/dbraw/zinc/32/65/62/1066326562.db2.gz WNQZFCDFRZDIKD-HSZRJFAPSA-N 0 0 488.430 4.922 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC(C)(C)C1CC1 ZINC001361087672 1066327331 /nfs/dbraw/zinc/32/73/31/1066327331.db2.gz ODOGUQYPQSLSJD-LJQANCHMSA-N 0 0 488.076 4.745 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC(C)(C)C1CC1 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1066339427 /nfs/dbraw/zinc/33/94/27/1066339427.db2.gz CDZFIPCGDLIFEX-UQCOIBPSSA-N 0 0 455.308 4.789 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001546066199 1066339721 /nfs/dbraw/zinc/33/97/21/1066339721.db2.gz IOUNSWXUKSPUHH-IVCQMTBJSA-N 0 0 453.587 4.997 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)n1 ZINC001361090944 1066339837 /nfs/dbraw/zinc/33/98/37/1066339837.db2.gz LMQDHQXPEDUUPW-NSHDSACASA-N 0 0 455.367 4.799 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)C2(c3ccc(Br)cc3)CCC2)n1 ZINC001361090903 1066339945 /nfs/dbraw/zinc/33/99/45/1066339945.db2.gz LDVLGHNAKLTDQE-HNNXBMFYSA-N 0 0 450.377 4.646 20 0 JJADRN Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 ZINC001443628294 1066339901 /nfs/dbraw/zinc/33/99/01/1066339901.db2.gz IALBWEPOOZWLGY-VGSWGCGISA-N 0 0 451.567 4.572 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C ZINC001361091016 1066340013 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456.586 4.561 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCn2cc(C)cn2)C1 ZINC001546066563 1066342020 /nfs/dbraw/zinc/34/20/20/1066342020.db2.gz QRBCODFPADJUGF-OAQYLSRUSA-N 0 0 461.383 4.678 20 0 JJADRN O=C(C[C@H]1CCc2sccc2C1=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443636692 1066342051 /nfs/dbraw/zinc/34/20/51/1066342051.db2.gz XPQJVPQYQYINJH-MRXNPFEDSA-N 0 0 459.974 4.991 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443637880 1066342099 /nfs/dbraw/zinc/34/20/99/1066342099.db2.gz ZXGXBTPOJDDEAI-UHFFFAOYSA-N 0 0 452.917 4.971 20 0 JJADRN CON(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC001454916284 1066342354 /nfs/dbraw/zinc/34/23/54/1066342354.db2.gz AXGIUIOWHKYLGG-KGLIPLIRSA-N 0 0 454.976 4.737 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545960744 1066342794 /nfs/dbraw/zinc/34/27/94/1066342794.db2.gz IYJKLRQRLBGPDS-LJQANCHMSA-N 0 0 455.603 4.637 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001443640612 1066343285 /nfs/dbraw/zinc/34/32/85/1066343285.db2.gz LHXVYGXIHMIJEE-QFIPXVFZSA-N 0 0 454.615 4.696 20 0 JJADRN Cc1cc(F)ccc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccs1 ZINC001361092391 1066343471 /nfs/dbraw/zinc/34/34/71/1066343471.db2.gz ILKZVUGAKSWURA-QGZVFWFLSA-N 0 0 464.570 4.875 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C3CCCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C)CC2 ZINC001361092393 1066343552 /nfs/dbraw/zinc/34/35/52/1066343552.db2.gz IMTGFUZWMOVWCI-QGZVFWFLSA-N 0 0 457.594 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1 ZINC001361093301 1066343845 /nfs/dbraw/zinc/34/38/45/1066343845.db2.gz IDWNXMXUSMGLNR-GKVSMKOHSA-N 0 0 457.571 4.570 20 0 JJADRN Cc1ccccc1C1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC001361093157 1066343924 /nfs/dbraw/zinc/34/39/24/1066343924.db2.gz GSVUCBGGAARAGC-UHFFFAOYSA-N 0 0 457.412 4.896 20 0 JJADRN C[C@H](C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001443644801 1066344053 /nfs/dbraw/zinc/34/40/53/1066344053.db2.gz IVDKOXQFORDSAC-MRXNPFEDSA-N 0 0 456.514 4.876 20 0 JJADRN CCC(CC)(CNC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(F)(F)F ZINC001454937948 1066344111 /nfs/dbraw/zinc/34/41/11/1066344111.db2.gz ACYKRARGWPKWQC-SFHVURJKSA-N 0 0 455.546 4.571 20 0 JJADRN Cc1cc2c(CC(=O)NCCCNC(=O)c3ccc(Br)cc3)csc2s1 ZINC001361094376 1066344560 /nfs/dbraw/zinc/34/45/60/1066344560.db2.gz XHDGAADANMOSAR-UHFFFAOYSA-N 0 0 451.411 4.513 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546066669 1066344520 /nfs/dbraw/zinc/34/45/20/1066344520.db2.gz SJZFNKOMEMLMLB-MHZLTWQESA-N 0 0 483.657 4.770 20 0 JJADRN Cc1cccc2c1CCN(C(=O)c1ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc1)C2 ZINC001443649593 1066344527 /nfs/dbraw/zinc/34/45/27/1066344527.db2.gz ZKCLTQKLQWPMFH-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN O=C(NCC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)NCc1ccc(F)cc1 ZINC001443649050 1066344559 /nfs/dbraw/zinc/34/45/59/1066344559.db2.gz YDVAHTDZWOTULD-UHFFFAOYSA-N 0 0 451.464 4.615 20 0 JJADRN O=C(NCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC001443647208 1066344665 /nfs/dbraw/zinc/34/46/65/1066344665.db2.gz MJENHOQKWPIVFJ-UHFFFAOYSA-N 0 0 455.873 4.563 20 0 JJADRN Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)cc1 ZINC001443647878 1066344687 /nfs/dbraw/zinc/34/46/87/1066344687.db2.gz UUJGUFSLDBLWPB-UHFFFAOYSA-N 0 0 453.583 4.787 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001361094756 1066345012 /nfs/dbraw/zinc/34/50/12/1066345012.db2.gz JFZSDLCCVXEAHA-INIZCTEOSA-N 0 0 479.419 4.933 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001546066848 1066345279 /nfs/dbraw/zinc/34/52/79/1066345279.db2.gz WKPPPQICVSEQEH-NRFANRHFSA-N 0 0 495.487 4.610 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1 ZINC001361094886 1066345484 /nfs/dbraw/zinc/34/54/84/1066345484.db2.gz NULWVCLTWYXHSK-LJQANCHMSA-N 0 0 457.594 4.681 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC([C@H](C)O)CC2)c1=S ZINC001454960533 1066345664 /nfs/dbraw/zinc/34/56/64/1066345664.db2.gz IOLVPOQIZCMIEM-INIZCTEOSA-N 0 0 451.036 4.544 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OCCOC)C1 ZINC001546066891 1066345807 /nfs/dbraw/zinc/34/58/07/1066345807.db2.gz XJJATBGHGIRIHJ-XMMPIXPASA-N 0 0 455.990 4.693 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001361095319 1066346034 /nfs/dbraw/zinc/34/60/34/1066346034.db2.gz IHUOCGABAQEGAG-QGZVFWFLSA-N 0 0 498.653 4.656 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccccc3OC3CCC3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963669 1066346047 /nfs/dbraw/zinc/34/60/47/1066346047.db2.gz KRFNEKYTRQAOFD-XZOQPEGZSA-N 0 0 466.578 4.759 20 0 JJADRN O=C(NCc1n[nH]cc1Br)c1ccccc1Oc1cccc(Br)c1 ZINC001443662935 1066346191 /nfs/dbraw/zinc/34/61/91/1066346191.db2.gz FZTNYOLPZWVZQP-UHFFFAOYSA-N 0 0 451.118 4.657 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001361095907 1066346325 /nfs/dbraw/zinc/34/63/25/1066346325.db2.gz RCOMWNLPFSGQER-DENIHFKCSA-N 0 0 487.620 4.513 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H](C)Cc3cccc(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963188 1066346362 /nfs/dbraw/zinc/34/63/62/1066346362.db2.gz FRGRQGMDQTUSJI-MQNAVGNWSA-N 0 0 456.558 4.532 20 0 JJADRN C[C@@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)Oc1cccc(Br)c1 ZINC001361096328 1066346722 /nfs/dbraw/zinc/34/67/22/1066346722.db2.gz GHFYXIWRZFMOSV-CKXPSTMWSA-N 0 0 450.329 4.594 20 0 JJADRN Cc1cccc2oc(C(=O)N[C@@H](c3cccc(S(C)(=O)=O)c3)c3cc(F)ccc3F)cc21 ZINC001361096153 1066346842 /nfs/dbraw/zinc/34/68/42/1066346842.db2.gz DEZNCYNVRHPJOG-QHCPKHFHSA-N 0 0 455.482 4.942 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C(C)=C\c3ccc(F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965590 1066346846 /nfs/dbraw/zinc/34/68/46/1066346846.db2.gz SJTWDIYGWJXJQA-AGABCYOWSA-N 0 0 454.542 4.757 20 0 JJADRN CCN(C(=O)[C@H](O)c1cccc(Br)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443669007 1066346847 /nfs/dbraw/zinc/34/68/47/1066346847.db2.gz CAEBCSYQZKDEAA-FGZHOGPDSA-N 0 0 457.343 4.963 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(C)sc3-n3cccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966551 1066347156 /nfs/dbraw/zinc/34/71/56/1066347156.db2.gz WPMHABAJTNSZDL-FCHUYYIVSA-N 0 0 481.618 4.989 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546066947 1066347191 /nfs/dbraw/zinc/34/71/91/1066347191.db2.gz YHJRSKGCEHRVNC-SANMLTNESA-N 0 0 487.645 4.846 20 0 JJADRN CCN(C(=O)c1cccc(NS(=O)(=O)CC)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443672457 1066347691 /nfs/dbraw/zinc/34/76/91/1066347691.db2.gz ILYBWYVNVRZNGG-QHCPKHFHSA-N 0 0 455.555 4.542 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545960946 1066347806 /nfs/dbraw/zinc/34/78/06/1066347806.db2.gz MDBGILDWJTYLID-MRXNPFEDSA-N 0 0 483.838 4.793 20 0 JJADRN C[C@H](CNC(=O)CSc1ccccc1Br)Oc1cccc(Br)c1 ZINC001361097005 1066347557 /nfs/dbraw/zinc/34/75/57/1066347557.db2.gz UOHFTJALAQYPKI-GFCCVEGCSA-N 0 0 459.203 4.887 20 0 JJADRN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)cc1 ZINC001454969144 1066347583 /nfs/dbraw/zinc/34/75/83/1066347583.db2.gz STAHBFQHNPFHBC-XMMPIXPASA-N 0 0 458.027 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2Br)C(C)(C)CC1 ZINC001454969129 1066347798 /nfs/dbraw/zinc/34/77/98/1066347798.db2.gz CFBIKJCFFFMCGD-UHFFFAOYSA-N 0 0 450.377 4.792 20 0 JJADRN CO[C@@]1(C)C[C@H](NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1(C)C ZINC001361097410 1066347706 /nfs/dbraw/zinc/34/77/06/1066347706.db2.gz CLIMKFZVUSCCGX-CVDCTZTESA-N 0 0 454.368 4.993 20 0 JJADRN Cc1csc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1Cl ZINC001361097027 1066347768 /nfs/dbraw/zinc/34/77/68/1066347768.db2.gz VBLBWPWHXLGRQJ-GOSISDBHSA-N 0 0 455.935 4.911 20 0 JJADRN C[C@H]([C@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)N1CCOCC1 ZINC001443679677 1066348396 /nfs/dbraw/zinc/34/83/96/1066348396.db2.gz MJCIIKFFIVWIAX-VQTJNVASSA-N 0 0 450.604 4.833 20 0 JJADRN O=C(Nc1cc(F)c(F)c(F)c1F)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001454973804 1066348412 /nfs/dbraw/zinc/34/84/12/1066348412.db2.gz UTPMSESKEOKIAZ-UHFFFAOYSA-N 0 0 458.820 4.950 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361099120 1066348641 /nfs/dbraw/zinc/34/86/41/1066348641.db2.gz AHKDYWYIMKFUCS-JOCHJYFZSA-N 0 0 470.371 4.623 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545961056 1066348918 /nfs/dbraw/zinc/34/89/18/1066348918.db2.gz NVCNKYAYCTYSHA-UHOSZYNNSA-N 0 0 489.686 4.660 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361099158 1066348933 /nfs/dbraw/zinc/34/89/33/1066348933.db2.gz BHXIXJDXCPADIG-UHFFFAOYSA-N 0 0 499.457 4.914 20 0 JJADRN CC[C@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1cccc(OC)c1OC ZINC001454980018 1066349479 /nfs/dbraw/zinc/34/94/79/1066349479.db2.gz UMNAPPOJTDTDQX-WMZOPIPTSA-N 0 0 459.543 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)[C@@H](O)C1 ZINC001454978892 1066349534 /nfs/dbraw/zinc/34/95/34/1066349534.db2.gz QHSZMARGZGSINF-NSMXISOQSA-N 0 0 456.970 4.507 20 0 JJADRN Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361099666 1066349368 /nfs/dbraw/zinc/34/93/68/1066349368.db2.gz IDOUPLMHUHWNFY-KNQAVFIVSA-N 0 0 462.598 4.843 20 0 JJADRN Cc1ccc(-c2nnc(N(C)c3cccc(C)c3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361099583 1066349484 /nfs/dbraw/zinc/34/94/84/1066349484.db2.gz GWWUNANFWQVYMK-UHFFFAOYSA-N 0 0 457.460 4.844 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC001443683736 1066349470 /nfs/dbraw/zinc/34/94/70/1066349470.db2.gz AGJANKMXNHDBEL-HNNXBMFYSA-N 0 0 452.546 4.824 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C(=Cc2ccc(OC)cc2)c2cccs2)C1 ZINC001443683740 1066349552 /nfs/dbraw/zinc/34/95/52/1066349552.db2.gz AHGYRTIZLPGESO-SQFNAUOLSA-N 0 0 454.621 4.604 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361100024 1066349781 /nfs/dbraw/zinc/34/97/81/1066349781.db2.gz SYSSZQRUZPZLBI-UHFFFAOYSA-N 0 0 488.333 4.524 20 0 JJADRN O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001454987205 1066349931 /nfs/dbraw/zinc/34/99/31/1066349931.db2.gz KBUFZNKHLBACAT-MRXNPFEDSA-N 0 0 458.337 4.635 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cccn3C)n2CCCCn2cc(Br)cn2)c1 ZINC001361099886 1066349988 /nfs/dbraw/zinc/34/99/88/1066349988.db2.gz OCPIYAACOLIHPT-UHFFFAOYSA-N 0 0 468.403 4.799 20 0 JJADRN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001443686171 1066350284 /nfs/dbraw/zinc/35/02/84/1066350284.db2.gz GZBXTDAATLMKOG-JTQLQIEISA-N 0 0 454.408 4.554 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)C(C)C)cc1 ZINC001361100728 1066350539 /nfs/dbraw/zinc/35/05/39/1066350539.db2.gz QYDIIVPGSPBWIY-FQEVSTJZSA-N 0 0 458.558 4.913 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCCO3)n2CCCn2cc(Br)cn2)c1 ZINC001361101810 1066350912 /nfs/dbraw/zinc/35/09/12/1066350912.db2.gz SNXAAQMHXKMVDG-LJQANCHMSA-N 0 0 459.392 4.645 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001361101464 1066351033 /nfs/dbraw/zinc/35/10/33/1066351033.db2.gz LNBSGHGSSNVAIB-AZUAARDMSA-N 0 0 491.583 4.893 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)c1 ZINC001361101508 1066351065 /nfs/dbraw/zinc/35/10/65/1066351065.db2.gz MRXKMJYKPAHRFE-IBGZPJMESA-N 0 0 457.619 4.630 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001361101467 1066351097 /nfs/dbraw/zinc/35/10/97/1066351097.db2.gz LNBSGHGSSNVAIB-UYAOXDASSA-N 0 0 491.583 4.893 20 0 JJADRN COc1ccc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)c(OC)c1OC ZINC001361101662 1066351151 /nfs/dbraw/zinc/35/11/51/1066351151.db2.gz ATCDXWQGWKESTE-UHFFFAOYSA-N 0 0 454.386 4.776 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Sc1ccc(Br)cc1 ZINC001361102525 1066351633 /nfs/dbraw/zinc/35/16/33/1066351633.db2.gz VRRQCAHLLFYJBK-OAHLLOKOSA-N 0 0 453.446 4.617 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc4ccnc(Cl)c4s3)cn2)cc1 ZINC001443695603 1066351520 /nfs/dbraw/zinc/35/15/20/1066351520.db2.gz CGEULCHRAFZEPN-UHFFFAOYSA-N 0 0 457.968 4.759 20 0 JJADRN CC(C)N(CCCNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)C(=O)OC(C)(C)C ZINC001443696036 1066351601 /nfs/dbraw/zinc/35/16/01/1066351601.db2.gz JSUAQLSXQIPYRY-LJQANCHMSA-N 0 0 455.599 4.996 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccccn3)n2CCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001361102690 1066352038 /nfs/dbraw/zinc/35/20/38/1066352038.db2.gz BOBBMXFWBRDHOJ-UHFFFAOYSA-N 0 0 482.510 4.919 20 0 JJADRN Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361102772 1066352216 /nfs/dbraw/zinc/35/22/16/1066352216.db2.gz FQSPUSPMZHKKGU-UHFFFAOYSA-N 0 0 451.518 4.934 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)c3c2CCC3)c1 ZINC001443698230 1066352247 /nfs/dbraw/zinc/35/22/47/1066352247.db2.gz SCVJCUOFWKSWDN-UHFFFAOYSA-N 0 0 458.578 4.574 20 0 JJADRN C[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455007080 1066352449 /nfs/dbraw/zinc/35/24/49/1066352449.db2.gz ORPOLBQDSPDLPL-IAGOWNOFSA-N 0 0 459.587 4.656 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](COC)c1cccc(Br)c1 ZINC001455008727 1066352574 /nfs/dbraw/zinc/35/25/74/1066352574.db2.gz RUZAPIVWVDGUAP-QGZVFWFLSA-N 0 0 457.409 4.584 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2CCNc2nccc(C(F)(F)F)n2)cs1 ZINC001361102989 1066352829 /nfs/dbraw/zinc/35/28/29/1066352829.db2.gz NKRCZBMXWQBVJL-UHFFFAOYSA-N 0 0 488.543 4.631 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3CCCc3cccc(F)c3)CC2)nc(C(C)C)n1 ZINC001361102869 1066352847 /nfs/dbraw/zinc/35/28/47/1066352847.db2.gz IHZWHJXYOPMKRO-UHFFFAOYSA-N 0 0 479.648 4.896 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCc1cccc(F)c1Br)c1ccc(SC)cc1 ZINC001361104003 1066353161 /nfs/dbraw/zinc/35/31/61/1066353161.db2.gz MAZUQLROURYFRA-KRWDZBQOSA-N 0 0 454.361 4.663 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC001443703376 1066353860 /nfs/dbraw/zinc/35/38/60/1066353860.db2.gz VOYHYDOPWUERRJ-QFIPXVFZSA-N 0 0 454.368 4.612 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 ZINC001443703336 1066353892 /nfs/dbraw/zinc/35/38/92/1066353892.db2.gz VEAPWEZTOSWCPJ-LJQANCHMSA-N 0 0 453.327 4.645 20 0 JJADRN CC(C)CN1N=C(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)CCC1=O ZINC001361104450 1066353837 /nfs/dbraw/zinc/35/38/37/1066353837.db2.gz RWENCYLFUAJCPY-UHFFFAOYSA-N 0 0 456.465 4.625 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443705528 1066354717 /nfs/dbraw/zinc/35/47/17/1066354717.db2.gz PRTUPVHGVCWADW-CABCVRRESA-N 0 0 457.434 4.693 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3CC3CCCCC3)CC2)nc(C(C)C)n1 ZINC001361105553 1066354880 /nfs/dbraw/zinc/35/48/80/1066354880.db2.gz OCNQDKGIGKGSGC-UHFFFAOYSA-N 0 0 453.679 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001443706250 1066354781 /nfs/dbraw/zinc/35/47/81/1066354781.db2.gz UKUFTQMFUOUBRP-KBXCAEBGSA-N 0 0 459.414 4.816 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443705530 1066354813 /nfs/dbraw/zinc/35/48/13/1066354813.db2.gz PRTUPVHGVCWADW-HUUCEWRRSA-N 0 0 457.434 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)C1 ZINC001443705510 1066354866 /nfs/dbraw/zinc/35/48/66/1066354866.db2.gz PGBIIJJEITXBCS-INIZCTEOSA-N 0 0 451.995 4.823 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccccc4)n3CCOCCC(C)C)CC2)nc(C(C)C)n1 ZINC001361105815 1066355053 /nfs/dbraw/zinc/35/50/53/1066355053.db2.gz YCLWGGXSRPYWQL-UHFFFAOYSA-N 0 0 477.657 4.556 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccc(F)c2ccccc12 ZINC001455040259 1066355127 /nfs/dbraw/zinc/35/51/27/1066355127.db2.gz BETVYTSUHCWPHD-QHCPKHFHSA-N 0 0 450.510 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc(CN=S2(=O)CCCC2)c1)C(C)(C)C ZINC001455043211 1066355157 /nfs/dbraw/zinc/35/51/57/1066355157.db2.gz DQYDZBUDUOEQOM-LJQANCHMSA-N 0 0 451.633 4.716 20 0 JJADRN C[C@@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1Cl ZINC001443706784 1066355303 /nfs/dbraw/zinc/35/53/03/1066355303.db2.gz BQUOBCCPICGRTH-LGAXPXOHSA-N 0 0 456.675 4.635 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361106020 1066355622 /nfs/dbraw/zinc/35/56/22/1066355622.db2.gz AHHHFVVTCDMFLE-RBUKOAKNSA-N 0 0 477.531 4.695 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001361106918 1066355882 /nfs/dbraw/zinc/35/58/82/1066355882.db2.gz IUZCJAFUJZSBSS-LJQANCHMSA-N 0 0 498.697 4.805 20 0 JJADRN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C1CC1 ZINC001443714942 1066356130 /nfs/dbraw/zinc/35/61/30/1066356130.db2.gz UUMOWMJPGNKVDO-KGLIPLIRSA-N 0 0 459.450 4.565 20 0 JJADRN CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001443722154 1066356905 /nfs/dbraw/zinc/35/69/05/1066356905.db2.gz DMHXRWACQPUNNN-IVMMDQJWSA-N 0 0 455.418 4.748 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545961458 1066356968 /nfs/dbraw/zinc/35/69/68/1066356968.db2.gz VWXUWZVAURLWLE-LJQANCHMSA-N 0 0 489.686 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361108280 1066356924 /nfs/dbraw/zinc/35/69/24/1066356924.db2.gz VLMQHUJZXBAEAB-FCHUYYIVSA-N 0 0 479.625 4.611 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2csc(-c3cc(Br)cs3)n2)c1 ZINC001361107813 1066356986 /nfs/dbraw/zinc/35/69/86/1066356986.db2.gz WYMZTGHCAJADRL-LLVKDONJSA-N 0 0 453.383 4.840 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361108422 1066357351 /nfs/dbraw/zinc/35/73/51/1066357351.db2.gz YAAIPEPMUQBQLO-UYAOXDASSA-N 0 0 477.531 4.607 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC001443724360 1066357428 /nfs/dbraw/zinc/35/74/28/1066357428.db2.gz FJEYKGGEUWJQJF-ZDUSSCGKSA-N 0 0 457.746 4.829 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C(C)C)CC2)c1 ZINC001443726228 1066358023 /nfs/dbraw/zinc/35/80/23/1066358023.db2.gz FQSGHCOFIFOQTQ-FQEVSTJZSA-N 0 0 459.590 4.962 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCCOc2ccccc2C(C)(C)C)co1 ZINC001443725872 1066358057 /nfs/dbraw/zinc/35/80/57/1066358057.db2.gz QGJVVOUTSYKDIF-IBGZPJMESA-N 0 0 457.571 4.853 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001443726074 1066358103 /nfs/dbraw/zinc/35/81/03/1066358103.db2.gz IAPVARLMHFAUOR-UHFFFAOYSA-N 0 0 456.411 4.571 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)c2n1 ZINC001443727162 1066358114 /nfs/dbraw/zinc/35/81/14/1066358114.db2.gz LBEYIEKXJJULFW-INIZCTEOSA-N 0 0 459.255 4.635 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)cc1 ZINC001455081686 1066358433 /nfs/dbraw/zinc/35/84/33/1066358433.db2.gz MVMGGMCRJZBVRQ-MLPAPPSSSA-N 0 0 454.324 4.772 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)cs1 ZINC001361109819 1066358473 /nfs/dbraw/zinc/35/84/73/1066358473.db2.gz GLTIRBHWPYOVAR-WMZHIEFXSA-N 0 0 469.655 4.661 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC001455082431 1066358597 /nfs/dbraw/zinc/35/85/97/1066358597.db2.gz OBXMEACWKZZJQL-BJKOFHAPSA-N 0 0 454.586 4.607 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443728190 1066358723 /nfs/dbraw/zinc/35/87/23/1066358723.db2.gz INTVSTLEIQUDNY-DLBZAZTESA-N 0 0 453.421 4.733 20 0 JJADRN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443729316 1066359001 /nfs/dbraw/zinc/35/90/01/1066359001.db2.gz OTFNIKRRIFTZKD-HXUWFJFHSA-N 0 0 451.325 4.550 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C4CC4)cc3F)c(O)c2)c1 ZINC001455087837 1066358869 /nfs/dbraw/zinc/35/88/69/1066358869.db2.gz WIMNACRFQJYMEN-UHFFFAOYSA-N 0 0 450.466 4.931 20 0 JJADRN COCCC1(NC(=O)CCSc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001455086695 1066358952 /nfs/dbraw/zinc/35/89/52/1066358952.db2.gz SHEKWGJIVJPNOL-UHFFFAOYSA-N 0 0 457.036 4.745 20 0 JJADRN O=C(NOCCCC(F)(F)F)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001455085731 1066359029 /nfs/dbraw/zinc/35/90/29/1066359029.db2.gz OMGVNJYWZGTNNL-UHFFFAOYSA-N 0 0 451.154 4.597 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443728193 1066359040 /nfs/dbraw/zinc/35/90/40/1066359040.db2.gz INTVSTLEIQUDNY-IAGOWNOFSA-N 0 0 453.421 4.733 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N(C)Cc3ccsc3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110348 1066359366 /nfs/dbraw/zinc/35/93/66/1066359366.db2.gz NAMOZBMXOQAMGX-CJFMBICVSA-N 0 0 470.639 4.793 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)c1 ZINC001361110345 1066359410 /nfs/dbraw/zinc/35/94/10/1066359410.db2.gz NAJYSBOCNZRKFN-GIWBLDEGSA-N 0 0 499.656 4.741 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc(S(C)(=O)=O)c1 ZINC001455092649 1066359419 /nfs/dbraw/zinc/35/94/19/1066359419.db2.gz LFLNXJCJBMLHMY-UHFFFAOYSA-N 0 0 451.573 4.819 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598141 1066359654 /nfs/dbraw/zinc/35/96/54/1066359654.db2.gz JTDSEIRQJCUMOV-HNVPCBRESA-N 0 0 488.698 4.672 20 0 JJADRN Cc1ccccc1OCCCNC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001443731488 1066359721 /nfs/dbraw/zinc/35/97/21/1066359721.db2.gz MWQHPVAHDLTAEI-OAQYLSRUSA-N 0 0 455.599 4.995 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC001361110560 1066359901 /nfs/dbraw/zinc/35/99/01/1066359901.db2.gz PZJXQRHCWBYQIO-JOCHJYFZSA-N 0 0 481.685 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC001443732632 1066360200 /nfs/dbraw/zinc/36/02/00/1066360200.db2.gz RHCVYBZCOHYNCE-JOCHJYFZSA-N 0 0 456.970 4.847 20 0 JJADRN Cc1c(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cnn1-c1ccc(C)cc1 ZINC001455097834 1066360217 /nfs/dbraw/zinc/36/02/17/1066360217.db2.gz LRMNPWYKGJWMBE-AREMUKBSSA-N 0 0 454.615 4.892 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 ZINC001455097307 1066360235 /nfs/dbraw/zinc/36/02/35/1066360235.db2.gz HNKBJRCTUGZMQL-OAQYLSRUSA-N 0 0 450.608 4.532 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110798 1066360387 /nfs/dbraw/zinc/36/03/87/1066360387.db2.gz SUGHVOLHKGRAGR-UZUQRXQVSA-N 0 0 466.548 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110796 1066360405 /nfs/dbraw/zinc/36/04/05/1066360405.db2.gz SUGHVOLHKGRAGR-HXOBKFHXSA-N 0 0 466.548 4.536 20 0 JJADRN CC(C)(C)c1nnc2ccc(C(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)cn21 ZINC001443731843 1066360314 /nfs/dbraw/zinc/36/03/14/1066360314.db2.gz TWGMNFPFTHTQEQ-QGZVFWFLSA-N 0 0 451.329 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC001443732636 1066360396 /nfs/dbraw/zinc/36/03/96/1066360396.db2.gz RHCVYBZCOHYNCE-QFIPXVFZSA-N 0 0 456.970 4.847 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC001443732029 1066360495 /nfs/dbraw/zinc/36/04/95/1066360495.db2.gz ULOYTUHLCCBBDX-ZDUSSCGKSA-N 0 0 459.812 4.797 20 0 JJADRN COC(=O)C[C@@H](C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001455099986 1066360504 /nfs/dbraw/zinc/36/05/04/1066360504.db2.gz RWGPUXMSWGPQJO-CQSZACIVSA-N 0 0 459.618 4.637 20 0 JJADRN COc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(OC(F)F)c1 ZINC001443733398 1066360963 /nfs/dbraw/zinc/36/09/63/1066360963.db2.gz VXXYDBGMAJZKAG-QGZVFWFLSA-N 0 0 450.240 4.956 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001443735444 1066360985 /nfs/dbraw/zinc/36/09/85/1066360985.db2.gz XSHURHBHRAWXIX-INIZCTEOSA-N 0 0 458.505 4.525 20 0 JJADRN CN(C)c1cc(CNC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)c2ccccc2n1 ZINC001361110845 1066360726 /nfs/dbraw/zinc/36/07/26/1066360726.db2.gz LRVKQAVPTADEDB-UHFFFAOYSA-N 0 0 454.452 4.720 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)CC2)c(C)o1 ZINC001361110932 1066360826 /nfs/dbraw/zinc/36/08/26/1066360826.db2.gz UFFYYLQYGYRSQZ-HXUWFJFHSA-N 0 0 479.625 4.524 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001361111014 1066360879 /nfs/dbraw/zinc/36/08/79/1066360879.db2.gz VMMYHDKTRPRPOA-RBUKOAKNSA-N 0 0 493.599 4.779 20 0 JJADRN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C1(C)C ZINC001361111121 1066360933 /nfs/dbraw/zinc/36/09/33/1066360933.db2.gz QCYSTIZDCPQCCN-CJNGLKHVSA-N 0 0 456.151 4.874 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1Cl ZINC001361110921 1066361017 /nfs/dbraw/zinc/36/10/17/1066361017.db2.gz NVJANLCNDBRERP-LLVKDONJSA-N 0 0 450.771 4.638 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2csc(Nc3ccccn3)n2)C1 ZINC001455102681 1066361109 /nfs/dbraw/zinc/36/11/09/1066361109.db2.gz SDRWZOAFZFTQFD-QHCPKHFHSA-N 0 0 459.616 4.685 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001455103853 1066361356 /nfs/dbraw/zinc/36/13/56/1066361356.db2.gz WHAXQWJYUOSMRV-NSYGIPOTSA-N 0 0 454.652 4.780 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)cc2C1 ZINC001455103902 1066361543 /nfs/dbraw/zinc/36/15/43/1066361543.db2.gz WOCKWEZSISJWMS-QUGAMOGWSA-N 0 0 459.631 4.705 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001455103852 1066361632 /nfs/dbraw/zinc/36/16/32/1066361632.db2.gz WHAXQWJYUOSMRV-GKVSMKOHSA-N 0 0 454.652 4.780 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)c1 ZINC001443739625 1066361377 /nfs/dbraw/zinc/36/13/77/1066361377.db2.gz ZJLHSFPSJSPYPJ-NRFANRHFSA-N 0 0 458.558 4.606 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC001443738114 1066361596 /nfs/dbraw/zinc/36/15/96/1066361596.db2.gz WPSPIXNEURHCQG-CQSZACIVSA-N 0 0 451.901 4.706 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC001443738100 1066361681 /nfs/dbraw/zinc/36/16/81/1066361681.db2.gz WPSPIXNEURHCQG-AWEZNQCLSA-N 0 0 451.901 4.706 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361111812 1066361818 /nfs/dbraw/zinc/36/18/18/1066361818.db2.gz CEKFELUQBQPSEM-OZXSUGGESA-N 0 0 456.631 4.675 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCC2(C)C)c1 ZINC001361111770 1066361904 /nfs/dbraw/zinc/36/19/04/1066361904.db2.gz BCPIJCGJSGIVBV-AJTFRIOCSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361112000 1066362298 /nfs/dbraw/zinc/36/22/98/1066362298.db2.gz IJNZPJNLCFIEND-MOPGFXCFSA-N 0 0 462.520 4.796 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1C(=O)c1ccccc1 ZINC001455110972 1066362459 /nfs/dbraw/zinc/36/24/59/1066362459.db2.gz WPIFSEQGPPZFLS-FQEVSTJZSA-N 0 0 457.530 4.809 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2CCCCO2)c1 ZINC001361111996 1066362371 /nfs/dbraw/zinc/36/23/71/1066362371.db2.gz IDNFVQYKOMPKLV-FQEVSTJZSA-N 0 0 455.990 4.776 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)c1 ZINC001361111827 1066362533 /nfs/dbraw/zinc/36/25/33/1066362533.db2.gz COZCPNQFIARUBV-ZWKOTPCHSA-N 0 0 488.430 4.674 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1ncoc1CCC(F)(F)F)C2 ZINC001455110460 1066362693 /nfs/dbraw/zinc/36/26/93/1066362693.db2.gz GLXNBPJILWZAJY-UHFFFAOYSA-N 0 0 455.433 4.551 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361112003 1066362980 /nfs/dbraw/zinc/36/29/80/1066362980.db2.gz IJNZPJNLCFIEND-RTBURBONSA-N 0 0 462.520 4.796 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)c1 ZINC001361112158 1066363137 /nfs/dbraw/zinc/36/31/37/1066363137.db2.gz NHWSRQNJGUATAV-UHFFFAOYSA-N 0 0 498.509 4.657 20 0 JJADRN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1cc2cnccc2o1 ZINC001455114301 1066363036 /nfs/dbraw/zinc/36/30/36/1066363036.db2.gz ZPHRIHBVLDXTJB-AWEZNQCLSA-N 0 0 455.923 4.773 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(C)c(Br)c(Cl)c2)n1 ZINC001361112703 1066363314 /nfs/dbraw/zinc/36/33/14/1066363314.db2.gz GCZGPUWARPZVQI-NSHDSACASA-N 0 0 450.720 4.961 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1)c1ccccc1 ZINC001443764699 1066363562 /nfs/dbraw/zinc/36/35/62/1066363562.db2.gz LVNQYFSEVXKJII-OAQYLSRUSA-N 0 0 455.436 4.832 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2cccs2)C1 ZINC001546068889 1066363749 /nfs/dbraw/zinc/36/37/49/1066363749.db2.gz YJHJUWKSRUDHBF-QFIPXVFZSA-N 0 0 488.455 4.826 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361112952 1066363802 /nfs/dbraw/zinc/36/38/02/1066363802.db2.gz LEOCNQFRDGWIRT-LSDHHAIUSA-N 0 0 458.356 4.954 20 0 JJADRN CCn1cc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]2CC=C2C=C(C(C)C)CC[C@H]23)c(=O)[nH]c1=O ZINC001455124011 1066363931 /nfs/dbraw/zinc/36/39/31/1066363931.db2.gz AAADJZWPAHFTTN-IKAXQFJBSA-N 0 0 453.627 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001546069025 1066364090 /nfs/dbraw/zinc/36/40/90/1066364090.db2.gz BDAJODNNKUCBLX-HNNXBMFYSA-N 0 0 452.477 4.867 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361113185 1066364318 /nfs/dbraw/zinc/36/43/18/1066364318.db2.gz PVSVAOATOZPSTM-TUQDCPSNSA-N 0 0 458.518 4.973 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccncc3)n2CC2CCC(F)(F)CC2)c1 ZINC001361113632 1066364452 /nfs/dbraw/zinc/36/44/52/1066364452.db2.gz NOSPFVWEZAVCJK-UHFFFAOYSA-N 0 0 455.553 4.913 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCOc2cccc(C)c2)s1 ZINC001361113472 1066364471 /nfs/dbraw/zinc/36/44/71/1066364471.db2.gz JRLZDEASGNXGHB-LJQANCHMSA-N 0 0 462.623 4.656 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)c1ccc2ccccc2c1 ZINC001546069155 1066364580 /nfs/dbraw/zinc/36/45/80/1066364580.db2.gz FWLAZZRMOORELD-FQEVSTJZSA-N 0 0 454.404 4.757 20 0 JJADRN Cc1cc(Cn2c(Cc3csc(C)n3)nnc2N(C)CCOc2cccc(C)c2)cs1 ZINC001361113691 1066364803 /nfs/dbraw/zinc/36/48/03/1066364803.db2.gz PANWVRQHAVQJAS-UHFFFAOYSA-N 0 0 453.637 4.876 20 0 JJADRN C[C@@H](CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)N(C)C(=O)OC(C)(C)C ZINC001443769917 1066364764 /nfs/dbraw/zinc/36/47/64/1066364764.db2.gz OSBVGFJLDXLVME-JXFKEZNVSA-N 0 0 456.002 4.768 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361114008 1066365477 /nfs/dbraw/zinc/36/54/77/1066365477.db2.gz YWRDGFAOGFJRCP-BKMJKUGQSA-N 0 0 463.626 4.539 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001361114142 1066365490 /nfs/dbraw/zinc/36/54/90/1066365490.db2.gz CANIJLVAPMPYLB-RVKKMQEKSA-N 0 0 457.409 4.518 20 0 JJADRN O=C(NC[C@H]1CCN(CC(F)F)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001455152095 1066365693 /nfs/dbraw/zinc/36/56/93/1066365693.db2.gz IGNJUEJHICAUNE-CYBMUJFWSA-N 0 0 457.290 4.697 20 0 JJADRN O=C(NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001455155312 1066366155 /nfs/dbraw/zinc/36/61/55/1066366155.db2.gz NXDIKUHVAMPYEH-SSEXGKCCSA-N 0 0 456.877 4.507 20 0 JJADRN C[C@H]1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114851 1066366504 /nfs/dbraw/zinc/36/65/04/1066366504.db2.gz SNAVBLGAWBMMFL-RBBKRZOGSA-N 0 0 455.599 4.606 20 0 JJADRN Cc1cc2cc(Cn3c(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C4)nnc3C(C)(C)C)ccc2[nH]1 ZINC001361115325 1066366612 /nfs/dbraw/zinc/36/66/12/1066366612.db2.gz GRVNLEBCQGVOHH-KKSFZXQISA-N 0 0 466.630 4.763 20 0 JJADRN O=C(CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1sc2ccccc2c1Cl ZINC001455162936 1066366796 /nfs/dbraw/zinc/36/67/96/1066366796.db2.gz IFRXSAYNZVSSMD-HNNXBMFYSA-N 0 0 458.942 4.545 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2cn(C3CCOCC3)nc2C)nnc1-c1ccccc1 ZINC001455166339 1066367396 /nfs/dbraw/zinc/36/73/96/1066367396.db2.gz MZVXNBVWGXIVQR-INIZCTEOSA-N 0 0 454.600 4.503 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccccc4C)n3CCSC(C)C)CC2)s1 ZINC001361116484 1066367434 /nfs/dbraw/zinc/36/74/34/1066367434.db2.gz CTIJHVJZOOMJFX-UHFFFAOYSA-N 0 0 469.680 4.727 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCSCC(C)C)CC2)cc1 ZINC001361116472 1066367453 /nfs/dbraw/zinc/36/74/53/1066367453.db2.gz CKXOAVGWZHCAOL-UHFFFAOYSA-N 0 0 499.084 4.654 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCCCNC(=O)c2ccccc2F)cs1 ZINC001361116237 1066367469 /nfs/dbraw/zinc/36/74/69/1066367469.db2.gz SRRAORDJFNYFMD-UHFFFAOYSA-N 0 0 457.546 4.611 20 0 JJADRN C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)CC1SC(=N)NC1=O ZINC001455176997 1066367816 /nfs/dbraw/zinc/36/78/16/1066367816.db2.gz KSUSCPGEEJWEIZ-DIFFPNOSSA-N 0 0 452.363 4.862 20 0 JJADRN Cc1cc(C)c(C(=O)CCCC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)c(C)c1 ZINC001455176229 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Cc1ccsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001361124056 1066376455 /nfs/dbraw/zinc/37/64/55/1066376455.db2.gz VRHZJJXESFSIRX-UHFFFAOYSA-N 0 0 469.655 4.668 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001455264491 1066376792 /nfs/dbraw/zinc/37/67/92/1066376792.db2.gz GDSDVOIFNAPMOC-RTWAWAEBSA-N 0 0 452.599 4.820 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001443860211 1066377435 /nfs/dbraw/zinc/37/74/35/1066377435.db2.gz KXIJRHKGZXLAIG-SECBINFHSA-N 0 0 457.262 4.592 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC001443860231 1066377642 /nfs/dbraw/zinc/37/76/42/1066377642.db2.gz LCZBILZNRDDVPA-CYBMUJFWSA-N 0 0 453.992 4.669 20 0 JJADRN Cc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1NC(=O)C(C)(C)C ZINC001443864220 1066378023 /nfs/dbraw/zinc/37/80/23/1066378023.db2.gz HQYHEGSPSCQWNH-HAHDFKILSA-N 0 0 456.546 4.784 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1N)CCO2 ZINC001455271934 1066378148 /nfs/dbraw/zinc/37/81/48/1066378148.db2.gz HKJWFVUXRPDSAW-UHFFFAOYSA-N 0 0 451.445 4.669 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC001361124271 1066378186 /nfs/dbraw/zinc/37/81/86/1066378186.db2.gz BFPPBFVHDZHZOZ-QXMHVHEDSA-N 0 0 458.524 4.880 20 0 JJADRN COc1ccc2cc(NC(=O)c3c(Cl)ccc(I)c3F)ccc2n1 ZINC001361124618 1066378219 /nfs/dbraw/zinc/37/82/19/1066378219.db2.gz GZTQOWTZXACIOJ-UHFFFAOYSA-N 0 0 456.642 4.893 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC1 ZINC001455274333 1066378375 /nfs/dbraw/zinc/37/83/75/1066378375.db2.gz LLCCVJMDWOVVKR-AFMDSPMNSA-N 0 0 479.662 4.852 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1)OC ZINC001545962941 1066378425 /nfs/dbraw/zinc/37/84/25/1066378425.db2.gz MXFQFFISJRAGGA-CVEARBPZSA-N 0 0 457.363 4.923 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1ccc(Br)cc1F ZINC001443872541 1066378632 /nfs/dbraw/zinc/37/86/32/1066378632.db2.gz DTHZIDTWTDIAOE-LBSIBSHJSA-N 0 0 469.395 4.696 20 0 JJADRN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001455275289 1066378952 /nfs/dbraw/zinc/37/89/52/1066378952.db2.gz RAUIOVXSDBLEMX-CQSZACIVSA-N 0 0 450.004 4.585 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c(C)c1 ZINC001455275495 1066379049 /nfs/dbraw/zinc/37/90/49/1066379049.db2.gz RXQSHKJCMTZBLY-UHFFFAOYSA-N 0 0 459.612 4.529 20 0 JJADRN CCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873282 1066379110 /nfs/dbraw/zinc/37/91/10/1066379110.db2.gz OOEBJQLDDCLVJA-MRXNPFEDSA-N 0 0 450.501 4.690 20 0 JJADRN CCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873279 1066379159 /nfs/dbraw/zinc/37/91/59/1066379159.db2.gz OOEBJQLDDCLVJA-INIZCTEOSA-N 0 0 450.501 4.690 20 0 JJADRN COC(=O)[C@@H]1C[C@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 ZINC001455279479 1066379919 /nfs/dbraw/zinc/37/99/19/1066379919.db2.gz UATVNAAIOUUVGR-VSKRKVRLSA-N 0 0 452.551 4.550 20 0 JJADRN COc1c[nH]c(C(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)cc1=O ZINC001455281077 1066380151 /nfs/dbraw/zinc/38/01/51/1066380151.db2.gz BDATZFVZXOVFJU-UHFFFAOYSA-N 0 0 451.281 4.894 20 0 JJADRN COc1cccc([C@H]2CCN(C(=O)CCSCc3nc4ccccc4c(=O)[nH]3)C2(C)C)c1 ZINC001455286698 1066380418 /nfs/dbraw/zinc/38/04/18/1066380418.db2.gz VYEFHEPUODUCFH-HXUWFJFHSA-N 0 0 451.592 4.762 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)cc1OC ZINC001443877041 1066380386 /nfs/dbraw/zinc/38/03/86/1066380386.db2.gz RJICWHZMVKDJJN-OAHLLOKOSA-N 0 0 458.555 4.505 20 0 JJADRN Cn1c(CCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)nc2ccccc21 ZINC001443878291 1066380416 /nfs/dbraw/zinc/38/04/16/1066380416.db2.gz VZPQLIMPLYADJC-OAQYLSRUSA-N 0 0 456.974 4.542 20 0 JJADRN Cn1c(CCCNC(=O)c2ccc(OC(F)(F)F)cc2Br)nc2ccccc21 ZINC001443879577 1066380512 /nfs/dbraw/zinc/38/05/12/1066380512.db2.gz ZLTLABDXMHVPLR-UHFFFAOYSA-N 0 0 456.262 4.597 20 0 JJADRN Cn1c(CCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)nc2ccccc21 ZINC001443878289 1066380652 /nfs/dbraw/zinc/38/06/52/1066380652.db2.gz VZPQLIMPLYADJC-NRFANRHFSA-N 0 0 456.974 4.542 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361125948 1066380602 /nfs/dbraw/zinc/38/06/02/1066380602.db2.gz HUMSSGPTLFMWQU-OAQYLSRUSA-N 0 0 490.714 4.985 20 0 JJADRN COc1cccc([C@H]2CCN(C(=O)c3cc(CNC(=O)OC(C)(C)C)n(C)c3C)C2(C)C)c1 ZINC001455284336 1066380656 /nfs/dbraw/zinc/38/06/56/1066380656.db2.gz MMFUPWPRKPTJHD-JOCHJYFZSA-N 0 0 455.599 4.775 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C(C)(C)C)c(F)c3)cc(C3CC3)nc21 ZINC001455292927 1066381507 /nfs/dbraw/zinc/38/15/07/1066381507.db2.gz KKSJAKYTRGWUQR-UHFFFAOYSA-N 0 0 452.530 4.719 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001361126029 1066381758 /nfs/dbraw/zinc/38/17/58/1066381758.db2.gz JKHOGEFTXDIVLM-ROUUACIJSA-N 0 0 454.644 4.979 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361126013 1066381804 /nfs/dbraw/zinc/38/18/04/1066381804.db2.gz JCALYBPAIYKJFI-UHFFFAOYSA-N 0 0 481.563 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC(OCCc3ccccc3)CC2)CC1 ZINC001443893047 1066381761 /nfs/dbraw/zinc/38/17/61/1066381761.db2.gz QNPXOEVCHSBJKA-BJKOFHAPSA-N 0 0 456.627 4.520 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)cc1OC ZINC001443891725 1066382046 /nfs/dbraw/zinc/38/20/46/1066382046.db2.gz GXTMQWPNLNGNTO-UXHICEINSA-N 0 0 476.568 4.642 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2sc3nc(C)nc(N)c3c2C)cc1 ZINC001443892818 1066382079 /nfs/dbraw/zinc/38/20/79/1066382079.db2.gz PUCVHRGIZIIRSZ-RBUKOAKNSA-N 0 0 454.596 4.799 20 0 JJADRN Cc1cc(C)c(-c2cc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)n[nH]2)cc1C ZINC001455299796 1066382068 /nfs/dbraw/zinc/38/20/68/1066382068.db2.gz GGAOPCQMKXRZEX-UHFFFAOYSA-N 0 0 458.419 4.993 20 0 JJADRN Cc1cc(C)c(-c2cc(NC(=O)Cc3cc4c(cc3Br)OCCO4)n[nH]2)cc1C ZINC001455299909 1066382098 /nfs/dbraw/zinc/38/20/98/1066382098.db2.gz GXJWOMNYTWVQOB-UHFFFAOYSA-N 0 0 456.340 4.717 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443893098 1066382115 /nfs/dbraw/zinc/38/21/15/1066382115.db2.gz QPDSRBSZLSSPON-ICSRJNTNSA-N 0 0 459.776 4.990 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443893083 1066382148 /nfs/dbraw/zinc/38/21/48/1066382148.db2.gz QPDSRBSZLSSPON-AZUAARDMSA-N 0 0 459.776 4.990 20 0 JJADRN COc1ccccc1-c1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)n[nH]1 ZINC001455300879 1066382321 /nfs/dbraw/zinc/38/23/21/1066382321.db2.gz QAHWXHGMAIJQNV-HXUWFJFHSA-N 0 0 458.465 4.568 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC[C@H]2COCCO2)c1 ZINC001361126083 1066382264 /nfs/dbraw/zinc/38/22/64/1066382264.db2.gz KOAUGIHVHRWENY-VXKWHMMOSA-N 0 0 470.658 4.967 20 0 JJADRN CCCCSc1ccc(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)cc1C(F)(F)F ZINC001455310896 1066382629 /nfs/dbraw/zinc/38/26/29/1066382629.db2.gz NAIQWGXPVXGHIC-NRFANRHFSA-N 0 0 452.498 4.557 20 0 JJADRN O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)c1c(Cl)cccc1Oc1ccccc1Cl ZINC001455313581 1066382761 /nfs/dbraw/zinc/38/27/61/1066382761.db2.gz XJNGORLSWFDFQJ-QHCPKHFHSA-N 0 0 457.313 4.746 20 0 JJADRN O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)c1c(Cl)cccc1Oc1ccccc1Cl ZINC001455313578 1066382795 /nfs/dbraw/zinc/38/27/95/1066382795.db2.gz XJNGORLSWFDFQJ-HSZRJFAPSA-N 0 0 457.313 4.746 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001361126244 1066383218 /nfs/dbraw/zinc/38/32/18/1066383218.db2.gz OZILTCXQUJJYFJ-DNQXCXABSA-N 0 0 483.701 4.882 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC001455339741 1066383826 /nfs/dbraw/zinc/38/38/26/1066383826.db2.gz JCEANJLQSJJRAR-LLVKDONJSA-N 0 0 458.686 4.763 20 0 JJADRN O=C(N[C@H]1Cc2cnccc2NC1=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001455346759 1066383997 /nfs/dbraw/zinc/38/39/97/1066383997.db2.gz UWWYRDAESGGLBW-FQEVSTJZSA-N 0 0 458.370 4.974 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCn3ccnc3C2)c1 ZINC001361126386 1066383960 /nfs/dbraw/zinc/38/39/60/1066383960.db2.gz RBFBUCDZUHUGSX-JOCHJYFZSA-N 0 0 494.684 4.999 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@@]2(O)CCOC2)c1 ZINC001361126467 1066384226 /nfs/dbraw/zinc/38/42/26/1066384226.db2.gz SAUSYBAAIIFKBX-MHZLTWQESA-N 0 0 470.658 4.845 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(/C=C\c2ccccc2)cs1)c1cccnc1 ZINC001443905511 1066384091 /nfs/dbraw/zinc/38/40/91/1066384091.db2.gz AEYCUMJUJQNSCT-OILJVOJPSA-N 0 0 454.555 4.688 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](COC)C3)c2)cc1 ZINC001443909336 1066384114 /nfs/dbraw/zinc/38/41/14/1066384114.db2.gz PCMLTNNWSDBVKZ-NRFANRHFSA-N 0 0 458.624 4.637 20 0 JJADRN COCC[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1cccnc1 ZINC001455355092 1066384448 /nfs/dbraw/zinc/38/44/48/1066384448.db2.gz KVOJVCXYXDRKBB-GOSISDBHSA-N 0 0 458.381 4.898 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCc1ccc2ncn(C(C)C)c2c1 ZINC001455354534 1066384461 /nfs/dbraw/zinc/38/44/61/1066384461.db2.gz OMMXRJHBDRWLMN-UHFFFAOYSA-N 0 0 454.324 4.725 20 0 JJADRN O=C(c1ccc(OC(F)(F)F)cc1Br)N1CC(c2cnc3ccccc3n2)C1 ZINC001455351273 1066384507 /nfs/dbraw/zinc/38/45/07/1066384507.db2.gz FVFUCMLCZSDZBM-UHFFFAOYSA-N 0 0 452.230 4.531 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001361126485 1066384598 /nfs/dbraw/zinc/38/45/98/1066384598.db2.gz SOVDGJHGGVHEAR-ROUUACIJSA-N 0 0 454.644 4.979 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1 ZINC001361126521 1066384633 /nfs/dbraw/zinc/38/46/33/1066384633.db2.gz TZDWOWABJXSJHH-OAQYLSRUSA-N 0 0 465.646 4.533 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC001443913094 1066384773 /nfs/dbraw/zinc/38/47/73/1066384773.db2.gz PHDGXFWSNWYEIP-QPXUXIHVSA-N 0 0 456.627 4.723 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1 ZINC001443913524 1066384889 /nfs/dbraw/zinc/38/48/89/1066384889.db2.gz IHHPXGQZKBIPGH-LJQANCHMSA-N 0 0 454.633 4.620 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)c2c(CC(C)(C)C)noc2n1 ZINC001455373970 1066384879 /nfs/dbraw/zinc/38/48/79/1066384879.db2.gz CNDOEMHCOYLLGJ-IFMALSPDSA-N 0 0 451.567 4.996 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N3CCCC[C@@H]3c3ncccn3)cc21 ZINC001455372561 1066385014 /nfs/dbraw/zinc/38/50/14/1066385014.db2.gz RTRTYGJFYDVFCF-RBBKRZOGSA-N 0 0 450.583 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc(Br)cc(C=O)c3)cc2C1 ZINC001443914555 1066385260 /nfs/dbraw/zinc/38/52/60/1066385260.db2.gz OAQZTNURMRLIJY-UHFFFAOYSA-N 0 0 459.340 4.807 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)NCCc1ccc(Br)cc1)N2C(=O)OC(C)(C)C ZINC001443918153 1066385385 /nfs/dbraw/zinc/38/53/85/1066385385.db2.gz KSECNZGSAOJILE-FQEVSTJZSA-N 0 0 459.384 4.783 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCC1 ZINC001443922859 1066385922 /nfs/dbraw/zinc/38/59/22/1066385922.db2.gz XQAQHZMYZFOZQQ-UHFFFAOYSA-N 0 0 459.587 4.708 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2C[C@H]2C)c1 ZINC001361126904 1066386338 /nfs/dbraw/zinc/38/63/38/1066386338.db2.gz BNYVOOBRHWOEDJ-DNVJHFABSA-N 0 0 481.685 4.934 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001546072333 1066386830 /nfs/dbraw/zinc/38/68/30/1066386830.db2.gz CTEMXAXYGUUSFD-WUFINQPMSA-N 0 0 497.684 4.927 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)c2ccccc2)C1 ZINC001546072331 1066386999 /nfs/dbraw/zinc/38/69/99/1066386999.db2.gz CTEMXAXYGUUSFD-NSOVKSMOSA-N 0 0 497.684 4.927 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545963299 1066386911 /nfs/dbraw/zinc/38/69/11/1066386911.db2.gz UDVWXSKCLILUCH-IBGZPJMESA-N 0 0 469.586 4.795 20 0 JJADRN CCN(C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001443947917 1066386951 /nfs/dbraw/zinc/38/69/51/1066386951.db2.gz OXVDCTXHOHBFPA-LAUBAEHRSA-N 0 0 458.400 4.770 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001361126953 1066386994 /nfs/dbraw/zinc/38/69/94/1066386994.db2.gz CRARCLNXXOSEFH-NRFANRHFSA-N 0 0 488.698 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC001455411943 1066387459 /nfs/dbraw/zinc/38/74/59/1066387459.db2.gz KETPOJNABCOXQG-ISKFKSNPSA-N 0 0 450.579 4.559 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)C1 ZINC001546072537 1066388374 /nfs/dbraw/zinc/38/83/74/1066388374.db2.gz GOYIPLRZFJCQMR-KOSHJBKYSA-N 0 0 492.068 4.569 20 0 JJADRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)c1cc(I)ccc1N ZINC001455420341 1066388678 /nfs/dbraw/zinc/38/86/78/1066388678.db2.gz SZGLCGJZCSULFW-MRXNPFEDSA-N 0 0 454.739 4.935 20 0 JJADRN 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ZINC001443995924 1066392631 /nfs/dbraw/zinc/39/26/31/1066392631.db2.gz BKIUVIKMSXGXKQ-UHFFFAOYSA-N 0 0 450.320 4.545 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)c2ccncc2Br)nn1-c1cccc(C(F)(F)F)c1 ZINC001455456379 1066392933 /nfs/dbraw/zinc/39/29/33/1066392933.db2.gz IAERDVSPLYUCHE-GFCCVEGCSA-N 0 0 453.262 4.848 20 0 JJADRN C[S@@](=O)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC001443999259 1066392995 /nfs/dbraw/zinc/39/29/95/1066392995.db2.gz QWTHGGZNZJSQEH-XDBZFTIUSA-N 0 0 453.416 4.895 20 0 JJADRN CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001455462086 1066393197 /nfs/dbraw/zinc/39/31/97/1066393197.db2.gz FIZSJQUZYZVARP-LAUBAEHRSA-N 0 0 457.640 4.888 20 0 JJADRN CC[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1nc(C(F)(F)F)cs1 ZINC001361129418 1066393170 /nfs/dbraw/zinc/39/31/70/1066393170.db2.gz XFPBIVQXIIPVGF-ZDUSSCGKSA-N 0 0 456.417 4.714 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC001361129203 1066393238 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GWJHDUIQRXZOPB-MRXNPFEDSA-N 0 0 453.336 4.779 20 0 JJADRN CC(C)N1C(=S)N=NC1CCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001444020773 1066395115 /nfs/dbraw/zinc/39/51/15/1066395115.db2.gz RAYKHNVKJCZSCG-UHFFFAOYSA-N 0 0 451.527 4.581 20 0 JJADRN CONC(=O)C1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 ZINC001455473398 1066395492 /nfs/dbraw/zinc/39/54/92/1066395492.db2.gz OWXIBBGVIULXOY-UHFFFAOYSA-N 0 0 458.967 4.908 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n[nH]1 ZINC001361130457 1066395488 /nfs/dbraw/zinc/39/54/88/1066395488.db2.gz NCGVAERSFKESRU-MHZLTWQESA-N 0 0 495.672 4.600 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)c1 ZINC001444023379 1066395648 /nfs/dbraw/zinc/39/56/48/1066395648.db2.gz FGLUCQWNGKFDAZ-HSZRJFAPSA-N 0 0 450.336 4.782 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2cnn(C)c2)c1 ZINC001361130511 1066396025 /nfs/dbraw/zinc/39/60/25/1066396025.db2.gz PCJVSKLWPMUBGA-MHZLTWQESA-N 0 0 480.657 4.712 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCOCC(F)F)c1 ZINC001361130621 1066396117 /nfs/dbraw/zinc/39/61/17/1066396117.db2.gz PHWRVISHZWGDOS-CTNGQTDRSA-N 0 0 478.584 4.576 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)N(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC001444028760 1066396083 /nfs/dbraw/zinc/39/60/83/1066396083.db2.gz OPGGLHYDDBXMMV-UHFFFAOYSA-N 0 0 454.548 4.865 20 0 JJADRN O=C(NCCCc1nnc2n1CCCCC2)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC001444033124 1066396613 /nfs/dbraw/zinc/39/66/13/1066396613.db2.gz SVSQGCJHGUUXFB-QHCPKHFHSA-N 0 0 456.562 4.865 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCSC(C)C)c1 ZINC001361130947 1066396689 /nfs/dbraw/zinc/39/66/89/1066396689.db2.gz SUCKJNMIPQLVBT-QFQXNSOFSA-N 0 0 488.698 4.815 20 0 JJADRN O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H](Sc1ccccc1)c1ccccc1 ZINC001444033491 1066396685 /nfs/dbraw/zinc/39/66/85/1066396685.db2.gz LPYRJWCVYZDIQT-LJQANCHMSA-N 0 0 453.365 4.870 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001444032100 1066396756 /nfs/dbraw/zinc/39/67/56/1066396756.db2.gz MJEFYWHJYNTKBW-QHCPKHFHSA-N 0 0 456.995 4.915 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(C)(C)Cc1ccccc1 ZINC001444032797 1066396770 /nfs/dbraw/zinc/39/67/70/1066396770.db2.gz IDRYICWFSFKAIT-UHFFFAOYSA-N 0 0 454.567 4.934 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)c3cc(OCc4ccccc4)cs3)CC2)cs1 ZINC001444033424 1066396899 /nfs/dbraw/zinc/39/68/99/1066396899.db2.gz MWBFTZRZWDIJCU-UHFFFAOYSA-N 0 0 455.649 4.988 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)s1 ZINC001455491943 1066396952 /nfs/dbraw/zinc/39/69/52/1066396952.db2.gz DGNDGPLAAQDTTB-IHPCNDPISA-N 0 0 455.624 4.874 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1ccccc1Cl ZINC001455486365 1066397030 /nfs/dbraw/zinc/39/70/30/1066397030.db2.gz RJCNXIPPPKTKMD-HXUWFJFHSA-N 0 0 459.974 4.993 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)CSc1nccn1-c1ccccc1C)c1ccccc1Cl ZINC001455484484 1066397107 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/nfs/dbraw/zinc/39/81/53/1066398153.db2.gz BPTLBWFCHVQAAM-QAETUUGQSA-N 0 0 453.674 4.961 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC001444062464 1066398541 /nfs/dbraw/zinc/39/85/41/1066398541.db2.gz CKNIUCQADJEHBE-PMERELPUSA-N 0 0 456.674 4.710 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)N[C@@]3(c4ccc(Br)cc4)C[C@@H](O)C3)s2)c(C)c1 ZINC001455500432 1066398474 /nfs/dbraw/zinc/39/84/74/1066398474.db2.gz GBMYENDAWJBQEZ-LMTLIKQPSA-N 0 0 457.393 4.969 20 0 JJADRN CCC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC001444068415 1066398773 /nfs/dbraw/zinc/39/87/73/1066398773.db2.gz UZQJQUQOFCVZBT-AZGAKELHSA-N 0 0 450.579 4.837 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3ccn(C)n3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361131349 1066399054 /nfs/dbraw/zinc/39/90/54/1066399054.db2.gz FVFIYMNFLKMJPV-UHFFFAOYSA-N 0 0 483.617 4.633 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C(C)=O)CC3)c2)cc1 ZINC001455503174 1066398982 /nfs/dbraw/zinc/39/89/82/1066398982.db2.gz CTOUMZUEYVXCMC-UHFFFAOYSA-N 0 0 456.608 4.580 20 0 JJADRN C/C(=C\C(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)c1ccccc1OC(F)F ZINC001455505142 1066399108 /nfs/dbraw/zinc/39/91/08/1066399108.db2.gz QQJFCPRQYNLOCY-FHVFNXGFSA-N 0 0 452.295 4.620 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cc(Nc3nccc(C(F)(F)F)n3)ccc2C)cc1 ZINC001444069329 1066399338 /nfs/dbraw/zinc/39/93/38/1066399338.db2.gz WNVZWTBYXNXEBF-UHFFFAOYSA-N 0 0 459.428 4.656 20 0 JJADRN O=C(CCC(=O)N[C@H](c1ccccc1)C1CCOCC1)Nc1nnc(C2CCCCC2)s1 ZINC001444068722 1066399351 /nfs/dbraw/zinc/39/93/51/1066399351.db2.gz MYPCJVXVDQQGPR-JOCHJYFZSA-N 0 0 456.612 4.589 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2CCOC2)c1 ZINC001361131648 1066400043 /nfs/dbraw/zinc/40/00/43/1066400043.db2.gz NGVSCPOEVJFQBK-NZQKXSOJSA-N 0 0 458.672 4.903 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@H]3C)n2CCc2ccccn2)c1 ZINC001361131709 1066400067 /nfs/dbraw/zinc/40/00/67/1066400067.db2.gz OJBGLFOYNJRSNV-HXUWFJFHSA-N 0 0 451.640 4.868 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2CCOC2)c1 ZINC001361131647 1066400174 /nfs/dbraw/zinc/40/01/74/1066400174.db2.gz NGVSCPOEVJFQBK-NFBKMPQASA-N 0 0 458.672 4.903 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCc1nc2ccccc2n1C ZINC001444078834 1066400980 /nfs/dbraw/zinc/40/09/80/1066400980.db2.gz BAUQFWFARIFYMZ-UHFFFAOYSA-N 0 0 452.967 4.821 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001455509921 1066400958 /nfs/dbraw/zinc/40/09/58/1066400958.db2.gz BLQLRUPMTSMEGN-KVSKMBFKSA-N 0 0 458.521 4.739 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001455509915 1066400975 /nfs/dbraw/zinc/40/09/75/1066400975.db2.gz BLQLRUPMTSMEGN-IEZWGBDMSA-N 0 0 458.521 4.739 20 0 JJADRN C[S@@](=O)Cc1cccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1 ZINC001444078263 1066401011 /nfs/dbraw/zinc/40/10/11/1066401011.db2.gz UJEVGAOLTKWDMB-JGCGQSQUSA-N 0 0 456.608 4.771 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2Cc2ccc(Cl)nc2)c1 ZINC001361131958 1066401722 /nfs/dbraw/zinc/40/17/22/1066401722.db2.gz RQFKPULTDJXGTL-GOSISDBHSA-N 0 0 455.990 4.611 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)N3CCC(c4nc(C(C)(C)C)cs4)CC3)CC2=O)c1 ZINC001444082775 1066401753 /nfs/dbraw/zinc/40/17/53/1066401753.db2.gz MFRFMUPIMXBTOV-KRWDZBQOSA-N 0 0 457.665 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)C1 ZINC001444083364 1066402406 /nfs/dbraw/zinc/40/24/06/1066402406.db2.gz PIGQDNBVGHGBFV-WMZOPIPTSA-N 0 0 453.624 4.742 20 0 JJADRN CSC1(CNC(=O)c2ccccc2OCc2ccccc2Br)CCOCC1 ZINC001361133507 1066403771 /nfs/dbraw/zinc/40/37/71/1066403771.db2.gz TZZLFGZISQPJLP-UHFFFAOYSA-N 0 0 450.398 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)C[C@]2(C)C1 ZINC001455521566 1066404034 /nfs/dbraw/zinc/40/40/34/1066404034.db2.gz RGAPETNOXKVJLH-BXKMTCNYSA-N 0 0 457.958 4.856 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001444092033 1066404715 /nfs/dbraw/zinc/40/47/15/1066404715.db2.gz VIJHJRZSQVFYOO-AWEZNQCLSA-N 0 0 457.239 4.716 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001361134057 1066404769 /nfs/dbraw/zinc/40/47/69/1066404769.db2.gz GGTKHMVQSQAKFQ-OFNKIYASSA-N 0 0 454.640 4.673 20 0 JJADRN COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)c1 ZINC001455531700 1066404992 /nfs/dbraw/zinc/40/49/92/1066404992.db2.gz MTGAWCCLKSWHQB-RNODOKPDSA-N 0 0 456.366 4.654 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)Cc3csc(-c4cccc(F)c4)n3)CCC[C@@H]12 ZINC001455531064 1066405064 /nfs/dbraw/zinc/40/50/64/1066405064.db2.gz BOSHCRCQBLWFNF-NTKDMRAZSA-N 0 0 459.587 4.788 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001444101396 1066406246 /nfs/dbraw/zinc/40/62/46/1066406246.db2.gz PNJPZXRWENRKNT-BGOLNKOXSA-N 0 0 453.526 4.829 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(NCc3cncs3)c2)CC1 ZINC001444096971 1066406275 /nfs/dbraw/zinc/40/62/75/1066406275.db2.gz VNJAWIXAJWPLSY-QHCPKHFHSA-N 0 0 456.562 4.943 20 0 JJADRN CC(C)(CO)c1nc2cc(C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)ccc2[nH]1 ZINC001444099739 1066406312 /nfs/dbraw/zinc/40/63/12/1066406312.db2.gz NDJPHRUWWFBAMJ-YTTGMZPUSA-N 0 0 453.608 4.667 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134545 1066406303 /nfs/dbraw/zinc/40/63/03/1066406303.db2.gz LEJCAWFTJGWALO-SFTDATJTSA-N 0 0 476.625 4.803 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)c2ccc(C)cc2)cs1 ZINC001361134553 1066406363 /nfs/dbraw/zinc/40/63/63/1066406363.db2.gz LGNRGUBIHOSPFX-GCJKJVERSA-N 0 0 453.656 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CN(Cc3ccccc3)c3ccccc3)CCC[C@@H]12 ZINC001455535051 1066406745 /nfs/dbraw/zinc/40/67/45/1066406745.db2.gz ZXCDFPCKFWXUHB-UFHPHHKVSA-N 0 0 463.622 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)c3ccccc3NC(=O)c3cccs3)CCC[C@@H]12 ZINC001455533962 1066406833 /nfs/dbraw/zinc/40/68/33/1066406833.db2.gz WVXVMVDYCCHZNB-CJFMBICVSA-N 0 0 469.607 4.910 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1)OC ZINC001545964434 1066406519 /nfs/dbraw/zinc/40/65/19/1066406519.db2.gz DOCZLSAOLCBJSE-DOTOQJQBSA-N 0 0 463.413 4.794 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545964430 1066406617 /nfs/dbraw/zinc/40/66/17/1066406617.db2.gz DKEVCCLLDPNACO-INIZCTEOSA-N 0 0 451.015 4.779 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)OCC(C)C)CC1)OC ZINC001545964478 1066407828 /nfs/dbraw/zinc/40/78/28/1066407828.db2.gz FEUNLODVYUSOOO-GOSISDBHSA-N 0 0 498.455 4.982 20 0 JJADRN COc1ccccc1C1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CCC1 ZINC001444108397 1066407858 /nfs/dbraw/zinc/40/78/58/1066407858.db2.gz CGCXXYQLLZQMLP-UHFFFAOYSA-N 0 0 450.560 4.614 20 0 JJADRN CCSc1ccccc1CCNC(=O)c1cc(Br)cc(Br)c1N ZINC001455539110 1066407855 /nfs/dbraw/zinc/40/78/55/1066407855.db2.gz ACTBXYFYOMYDTG-UHFFFAOYSA-N 0 0 458.219 4.878 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3C)c(O)c2)c1 ZINC001455540121 1066407863 /nfs/dbraw/zinc/40/78/63/1066407863.db2.gz FWKHJIUAVGQTOS-HNNXBMFYSA-N 0 0 452.482 4.600 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3CCS[C@H](C)[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361135036 1066408461 /nfs/dbraw/zinc/40/84/61/1066408461.db2.gz KALYHUATNILKGW-QDMVCWPOSA-N 0 0 458.672 4.761 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3CCS[C@H](C)[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361135038 1066408471 /nfs/dbraw/zinc/40/84/71/1066408471.db2.gz KALYHUATNILKGW-YCFYUYSTSA-N 0 0 458.672 4.761 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3CCS[C@H](C)[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361135035 1066408553 /nfs/dbraw/zinc/40/85/53/1066408553.db2.gz KALYHUATNILKGW-FBROZUCGSA-N 0 0 458.672 4.761 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)C1 ZINC001546073555 1066408677 /nfs/dbraw/zinc/40/86/77/1066408677.db2.gz VTWDUGAILDCNTI-DFBJGRDBSA-N 0 0 463.667 4.692 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1OCC(C)C ZINC001444119728 1066408694 /nfs/dbraw/zinc/40/86/94/1066408694.db2.gz PAXNOAWXHJNMLA-KRWDZBQOSA-N 0 0 452.473 4.637 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)C1 ZINC001546073554 1066408868 /nfs/dbraw/zinc/40/88/68/1066408868.db2.gz VTWDUGAILDCNTI-CLOONOSVSA-N 0 0 463.667 4.692 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545964513 1066409520 /nfs/dbraw/zinc/40/95/20/1066409520.db2.gz FZGBTNALRGEXSR-HXOBKFHXSA-N 0 0 493.077 4.630 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)ccc2C)c1 ZINC001444126426 1066410388 /nfs/dbraw/zinc/41/03/88/1066410388.db2.gz WRSKCAFHEJUYFW-NFBKMPQASA-N 0 0 458.624 4.675 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H](C)c2ccc(C)cc2)cs1 ZINC001361135874 1066410356 /nfs/dbraw/zinc/41/03/56/1066410356.db2.gz UFJBQKCERBIWAG-OAQYLSRUSA-N 0 0 496.725 4.541 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545964585 1066410880 /nfs/dbraw/zinc/41/08/80/1066410880.db2.gz HARAMBFUSTWPLY-QGZVFWFLSA-N 0 0 478.950 4.872 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545964584 1066410950 /nfs/dbraw/zinc/41/09/50/1066410950.db2.gz HARAMBFUSTWPLY-KRWDZBQOSA-N 0 0 478.950 4.872 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC001361136511 1066410967 /nfs/dbraw/zinc/41/09/67/1066410967.db2.gz XPKLCEMWOZHMMU-NRFANRHFSA-N 0 0 472.699 4.917 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC001361136639 1066410976 /nfs/dbraw/zinc/41/09/76/1066410976.db2.gz UXDYGAKJJDQMJR-XMMPIXPASA-N 0 0 456.542 4.655 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCSC2)C1)OC ZINC001545964754 1066412357 /nfs/dbraw/zinc/41/23/57/1066412357.db2.gz JRXIPCAKOGELCM-FOIQADDNSA-N 0 0 469.424 4.605 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccn1 ZINC001444137393 1066412465 /nfs/dbraw/zinc/41/24/65/1066412465.db2.gz POKBUBHCIPKLPV-OAHLLOKOSA-N 0 0 459.999 4.809 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545964800 1066413189 /nfs/dbraw/zinc/41/31/89/1066413189.db2.gz KKFFNLKECUXUNM-CTNGQTDRSA-N 0 0 483.016 4.582 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CCSC[C@@H]1c1ccccc1 ZINC001444138591 1066413260 /nfs/dbraw/zinc/41/32/60/1066413260.db2.gz PMAQUNOVIXMYIT-NIYFSFCBSA-N 0 0 452.439 4.654 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N1CC[C@@H](c2ccco2)C1 ZINC001444139553 1066413874 /nfs/dbraw/zinc/41/38/74/1066413874.db2.gz ALIVYIIHDSSJTL-GOSISDBHSA-N 0 0 453.336 4.853 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCCNC(=O)c2ccc(P(C)(C)=O)cc2)CC1 ZINC001455588160 1066413871 /nfs/dbraw/zinc/41/38/71/1066413871.db2.gz YZRZZNWOZMDQBW-UHFFFAOYSA-N 0 0 450.560 4.872 20 0 JJADRN COc1cccc2[nH]cc(CCNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)c21 ZINC001455598174 1066413984 /nfs/dbraw/zinc/41/39/84/1066413984.db2.gz OTVYQDBAYUVJGS-GAJHUEQPSA-N 0 0 451.567 4.737 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3noc4ccccc43)c2)c1 ZINC001455592332 1066414000 /nfs/dbraw/zinc/41/40/00/1066414000.db2.gz UBZVCCDNTRUVDP-UHFFFAOYSA-N 0 0 455.923 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)C[C@H]21 ZINC001546074221 1066414639 /nfs/dbraw/zinc/41/46/39/1066414639.db2.gz LFSVYVJBTKAQQJ-FDKIHUSFSA-N 0 0 479.662 4.612 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)CC[C@@H]3CCc4ccccc43)c2)cc1 ZINC001444144345 1066416156 /nfs/dbraw/zinc/41/61/56/1066416156.db2.gz DGSPZMXDKDCOCY-NRFANRHFSA-N 0 0 458.558 4.953 20 0 JJADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC001444144280 1066416190 /nfs/dbraw/zinc/41/61/90/1066416190.db2.gz JLJFOIHRJPNYIB-NRFANRHFSA-N 0 0 457.014 4.862 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3c(F)cccc3NC(=O)OC(C)(C)C)c21 ZINC001455624972 1066416333 /nfs/dbraw/zinc/41/63/33/1066416333.db2.gz VMQPHWPNHURRKV-UHFFFAOYSA-N 0 0 453.396 4.726 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545965049 1066417104 /nfs/dbraw/zinc/41/71/04/1066417104.db2.gz ORLMRDGDFZNFJP-NXHRZFHOSA-N 0 0 461.010 4.676 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)/C=C/c3ccc4[nH]ccc4c3)c2)cc1 ZINC001444146318 1066417146 /nfs/dbraw/zinc/41/71/46/1066417146.db2.gz JMRSNIRUXWIOKE-WUXMJOGZSA-N 0 0 455.514 4.637 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545965048 1066417217 /nfs/dbraw/zinc/41/72/17/1066417217.db2.gz ORLMRDGDFZNFJP-KBAYOESNSA-N 0 0 461.010 4.676 20 0 JJADRN CC(C)C(=O)[C@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001455631450 1066417262 /nfs/dbraw/zinc/41/72/62/1066417262.db2.gz SFRLRWZADGXLQL-OAQYLSRUSA-N 0 0 452.551 4.512 20 0 JJADRN Cc1cc(C(=O)N[C@H](C(=O)C(C)C)c2ccccc2)c(I)cc1Cl ZINC001455630010 1066417289 /nfs/dbraw/zinc/41/72/89/1066417289.db2.gz OVHNSNFRKSRYMM-KRWDZBQOSA-N 0 0 455.723 4.949 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC001455636123 1066418094 /nfs/dbraw/zinc/41/80/94/1066418094.db2.gz RVNAZZKQIVMGSS-QINSGFPZSA-N 0 0 451.441 4.836 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)Oc1ccc(N(C)C(=O)c3ccc(Cl)cc3)cc1)C2 ZINC001361140540 1066418107 /nfs/dbraw/zinc/41/81/07/1066418107.db2.gz AYKYBDVXOFXXPD-GOSISDBHSA-N 0 0 451.906 4.782 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001444148492 1066418603 /nfs/dbraw/zinc/41/86/03/1066418603.db2.gz PNXUYCCSIJZOSF-JOCHJYFZSA-N 0 0 457.574 4.894 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001444151403 1066418809 /nfs/dbraw/zinc/41/88/09/1066418809.db2.gz DGOSOJWDPIFKRI-SJLPKXTDSA-N 0 0 456.352 4.759 20 0 JJADRN Cc1ccc([C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC(C)C)C(C)C)N2CCOCC2)o1 ZINC001361140799 1066418897 /nfs/dbraw/zinc/41/88/97/1066418897.db2.gz HCSFZHUUNQQQQU-DEOSSOPVSA-N 0 0 483.632 4.854 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccccc1COc1cccc(C=O)c1 ZINC001455646499 1066419001 /nfs/dbraw/zinc/41/90/01/1066419001.db2.gz AFCFYJKCSUSTDQ-TZIWHRDSSA-N 0 0 466.578 4.701 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455646897 1066419141 /nfs/dbraw/zinc/41/91/41/1066419141.db2.gz CFTHIGKKPZFZRY-UHFFFAOYSA-N 0 0 457.290 4.784 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC001444153691 1066419255 /nfs/dbraw/zinc/41/92/55/1066419255.db2.gz VYVNRFFEDLGWBN-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)Cc3coc4cc(C)ccc34)c2)cc1 ZINC001444153898 1066419404 /nfs/dbraw/zinc/41/94/04/1066419404.db2.gz VEGUQFFYLLRXRG-UHFFFAOYSA-N 0 0 458.514 4.740 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](CC)O[C@@H](C)C3)c2)cc1 ZINC001444155316 1066420125 /nfs/dbraw/zinc/42/01/25/1066420125.db2.gz WTHMUERVNBUZRG-SIKLNZKXSA-N 0 0 458.624 4.778 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)cc1C(=O)OC ZINC001361141233 1066420276 /nfs/dbraw/zinc/42/02/76/1066420276.db2.gz KRSXCFPKPUFTNF-UHFFFAOYSA-N 0 0 458.445 4.866 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001361141700 1066421836 /nfs/dbraw/zinc/42/18/36/1066421836.db2.gz QRAVDEOGJDTJSH-LBPRGKRZSA-N 0 0 450.370 4.896 20 0 JJADRN Cc1csc(SCc2c3ccccc3oc2C(=O)NCCc2nc(C(C)C)nn2C)n1 ZINC001455669303 1066421800 /nfs/dbraw/zinc/42/18/00/1066421800.db2.gz BQYYPKFQCIEUQX-UHFFFAOYSA-N 0 0 455.609 4.714 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001444161067 1066421886 /nfs/dbraw/zinc/42/18/86/1066421886.db2.gz BZAPOLUVSSSDAW-HSALFYBXSA-N 0 0 456.656 4.620 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1cccc(CSCc2ccccc2)c1 ZINC001444161605 1066422549 /nfs/dbraw/zinc/42/25/49/1066422549.db2.gz YPABRDOSYVYONF-FUPPJEDESA-N 0 0 455.649 4.784 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F ZINC001455672443 1066422436 /nfs/dbraw/zinc/42/24/36/1066422436.db2.gz DLAIMENGZWCCIH-CQSZACIVSA-N 0 0 453.465 4.561 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001455671573 1066422683 /nfs/dbraw/zinc/42/26/83/1066422683.db2.gz ZNRXHAPNBBVTFX-OAHLLOKOSA-N 0 0 458.331 4.977 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001361142056 1066423473 /nfs/dbraw/zinc/42/34/73/1066423473.db2.gz UNOLQZCLSHKAIM-OAQYLSRUSA-N 0 0 484.689 4.774 20 0 JJADRN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001455674570 1066423618 /nfs/dbraw/zinc/42/36/18/1066423618.db2.gz HOXMTCVPKOYUFC-QGZVFWFLSA-N 0 0 450.347 4.888 20 0 JJADRN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001455679355 1066423654 /nfs/dbraw/zinc/42/36/54/1066423654.db2.gz RXGCRZGAEIONNC-QGZVFWFLSA-N 0 0 450.347 4.888 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCC(n3c(=O)[nH]c4cccnc43)CC2)c(O)c(C(C)(C)C)c1 ZINC001455686579 1066424183 /nfs/dbraw/zinc/42/41/83/1066424183.db2.gz IJKKOAZEEGZKMS-UHFFFAOYSA-N 0 0 450.583 4.915 20 0 JJADRN CCO[C@H](CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)C(C)C ZINC001444168048 1066424182 /nfs/dbraw/zinc/42/41/82/1066424182.db2.gz FKRCVZOAKGHQDB-ZWKOTPCHSA-N 0 0 450.377 4.538 20 0 JJADRN O=C(c1coc(C(F)F)c1)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444168157 1066424237 /nfs/dbraw/zinc/42/42/37/1066424237.db2.gz GBMLSVMCZSJDMP-AWEZNQCLSA-N 0 0 452.255 4.931 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c1 ZINC001444169493 1066424806 /nfs/dbraw/zinc/42/48/06/1066424806.db2.gz ZSIRIVJVZJXWLX-UHFFFAOYSA-N 0 0 457.958 4.739 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)cc2)cc1 ZINC001361143508 1066424659 /nfs/dbraw/zinc/42/46/59/1066424659.db2.gz UBMRHIJXQQSEBR-IDISGSTGSA-N 0 0 456.586 4.820 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)CC2=O)ccc1Br ZINC001361143307 1066424827 /nfs/dbraw/zinc/42/48/27/1066424827.db2.gz PHTYEZFOICBNTB-FBBABVLZSA-N 0 0 455.396 4.763 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001361142916 1066424901 /nfs/dbraw/zinc/42/49/01/1066424901.db2.gz JDOVAWGLCSPESV-ZIBCJSCZSA-N 0 0 450.645 4.618 20 0 JJADRN CCN(C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001455708123 1066425403 /nfs/dbraw/zinc/42/54/03/1066425403.db2.gz ZWPSYZJDSKEXSI-ZWKOTPCHSA-N 0 0 455.640 4.516 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC001455714211 1066425434 /nfs/dbraw/zinc/42/54/34/1066425434.db2.gz BEIKHXLBATWSNK-AUSIDOKSSA-N 0 0 450.362 4.970 20 0 JJADRN O=C(Nc1c[nH]c2ccc(Br)cc12)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001455713706 1066425475 /nfs/dbraw/zinc/42/54/75/1066425475.db2.gz BLRMVUCQXQVXGP-UHFFFAOYSA-N 0 0 459.321 4.750 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2c[nH]c3ccc(Br)cc23)cc1 ZINC001455716353 1066426033 /nfs/dbraw/zinc/42/60/33/1066426033.db2.gz JZYHJRIVWBDGDI-UHFFFAOYSA-N 0 0 457.353 4.856 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001444177052 1066426141 /nfs/dbraw/zinc/42/61/41/1066426141.db2.gz RFFJWJGWJKQAQS-MRXNPFEDSA-N 0 0 459.937 4.972 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC001444177812 1066426262 /nfs/dbraw/zinc/42/62/62/1066426262.db2.gz USYMDDMXDYGCBD-UHFFFAOYSA-N 0 0 459.930 4.799 20 0 JJADRN O=C(Nc1c[nH]nc1C(F)(F)F)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001455717460 1066426796 /nfs/dbraw/zinc/42/67/96/1066426796.db2.gz PHXACJOIJSCKNU-UHFFFAOYSA-N 0 0 453.218 4.696 20 0 JJADRN O=C(Nc1c[nH]c2ccc(Br)cc12)c1nc2ccc(Br)cn2c1F ZINC001455716676 1066426806 /nfs/dbraw/zinc/42/68/06/1066426806.db2.gz LKUKZTVNAVCYKJ-UHFFFAOYSA-N 0 0 452.081 4.732 20 0 JJADRN CCCCCCOCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180661 1066426880 /nfs/dbraw/zinc/42/68/80/1066426880.db2.gz SVSCPWJGUBJLKI-SFHVURJKSA-N 0 0 450.377 4.683 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001444181328 1066427012 /nfs/dbraw/zinc/42/70/12/1066427012.db2.gz VMTDDFFPOMHPNE-QZTZHPFYSA-N 0 0 455.640 4.516 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546075373 1066427499 /nfs/dbraw/zinc/42/74/99/1066427499.db2.gz MZLACBJHDOVSPT-HJPURHCSSA-N 0 0 462.664 4.516 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145269 1066427449 /nfs/dbraw/zinc/42/74/49/1066427449.db2.gz SWLFYEOJJSTILC-KNQAVFIVSA-N 0 0 488.698 4.846 20 0 JJADRN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001455763960 1066428336 /nfs/dbraw/zinc/42/83/36/1066428336.db2.gz BRYOAKSPFLXIPY-CYBMUJFWSA-N 0 0 456.896 4.650 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361145550 1066428776 /nfs/dbraw/zinc/42/87/76/1066428776.db2.gz ALZRCBPJEOICFF-FPYOTAMTSA-N 0 0 489.711 4.718 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2Cc2ncnn2C(C)(C)C)s1 ZINC001361145520 1066428837 /nfs/dbraw/zinc/42/88/37/1066428837.db2.gz AEZIDWQHXHWNFO-UHFFFAOYSA-N 0 0 479.654 4.875 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361145547 1066428906 /nfs/dbraw/zinc/42/89/06/1066428906.db2.gz ALZRCBPJEOICFF-AONNBLCTSA-N 0 0 489.711 4.718 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001361145791 1066429638 /nfs/dbraw/zinc/42/96/38/1066429638.db2.gz JITYYIKELMNMDY-MRXNPFEDSA-N 0 0 485.551 4.633 20 0 JJADRN Cc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2c(C)nn(C)c2C)sc1C ZINC001361145827 1066430026 /nfs/dbraw/zinc/43/00/26/1066430026.db2.gz KPXCTCGOVYSIBL-UHFFFAOYSA-N 0 0 479.654 4.582 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361145907 1066430114 /nfs/dbraw/zinc/43/01/14/1066430114.db2.gz MJBBYYCOTVRKPB-FQEVSTJZSA-N 0 0 489.686 4.673 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)CCn1cnc2ccccc21 ZINC001455790135 1066431659 /nfs/dbraw/zinc/43/16/59/1066431659.db2.gz DEIURYBWIHPQBI-UHFFFAOYSA-N 0 0 456.974 4.633 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cc(=O)c2ccccc2o1 ZINC001455791082 1066431667 /nfs/dbraw/zinc/43/16/67/1066431667.db2.gz GECJJSAUPPNYSP-UHFFFAOYSA-N 0 0 456.926 4.614 20 0 JJADRN CCCCCC[C@@](C)(CC)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 ZINC001455794113 1066432082 /nfs/dbraw/zinc/43/20/82/1066432082.db2.gz RJMDFVYTSSWREY-APTYZTEPSA-N 0 0 452.636 4.678 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)co1 ZINC001455794471 1066432376 /nfs/dbraw/zinc/43/23/76/1066432376.db2.gz RRQHMXABDVHSQK-UHFFFAOYSA-N 0 0 457.752 4.863 20 0 JJADRN O=C(CCc1nc(-c2ccoc2)no1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444246011 1066432905 /nfs/dbraw/zinc/43/29/05/1066432905.db2.gz BTOMBBWVRZCFMS-UHFFFAOYSA-N 0 0 450.322 4.887 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC001546076277 1066433035 /nfs/dbraw/zinc/43/30/35/1066433035.db2.gz KDTNSHVNFNRRAZ-DHIUTWEWSA-N 0 0 450.579 4.933 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC001546076279 1066433044 /nfs/dbraw/zinc/43/30/44/1066433044.db2.gz KDTNSHVNFNRRAZ-PKTZIBPZSA-N 0 0 450.579 4.933 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC001444247103 1066433913 /nfs/dbraw/zinc/43/39/13/1066433913.db2.gz HRISEFOMNDROLE-HKUYNNGSSA-N 0 0 456.587 4.670 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C3)c(C(C)(C)C)n2)cc1 ZINC001455806136 1066434283 /nfs/dbraw/zinc/43/42/83/1066434283.db2.gz YGLKJHFSRYEHOL-FQEVSTJZSA-N 0 0 454.615 4.854 20 0 JJADRN CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3sc(-c4ccc(C)c(C(F)(F)F)c4)nc3C)C[C@@H]21 ZINC001455806624 1066434386 /nfs/dbraw/zinc/43/43/86/1066434386.db2.gz BIXMUVAQTBHOIS-HLLBOEOZSA-N 0 0 452.498 4.717 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc2c1O[C@H](C)C2 ZINC001455807689 1066434408 /nfs/dbraw/zinc/43/44/08/1066434408.db2.gz OFBBUYBWOQVNBG-MSOLQXFVSA-N 0 0 451.563 4.960 20 0 JJADRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001444250077 1066435143 /nfs/dbraw/zinc/43/51/43/1066435143.db2.gz VAQQOCCAOIQURQ-LPHOPBHVSA-N 0 0 457.546 4.946 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cccs3)n2CCCN2CCCCC2=O)c1 ZINC001361148587 1066435814 /nfs/dbraw/zinc/43/58/14/1066435814.db2.gz PJPZIEDJKCSTTC-UHFFFAOYSA-N 0 0 467.639 4.574 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455812463 1066436871 /nfs/dbraw/zinc/43/68/71/1066436871.db2.gz KEBICRFIMOWPFY-SFHLNBCPSA-N 0 0 481.678 4.669 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001455815665 1066436920 /nfs/dbraw/zinc/43/69/20/1066436920.db2.gz HCFDEFQYOMCBDH-OGAOHHHESA-N 0 0 458.389 4.547 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccsc3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361148813 1066437274 /nfs/dbraw/zinc/43/72/74/1066437274.db2.gz XNZBINKXZKRPBD-UHFFFAOYSA-N 0 0 481.666 4.963 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CC3)n2Cc2cccc(Br)n2)c1 ZINC001361148833 1066437389 /nfs/dbraw/zinc/43/73/89/1066437389.db2.gz YUZKSCWLMUYZSE-UHFFFAOYSA-N 0 0 456.388 4.526 20 0 JJADRN Cc1ccccc1[C@@H](CO)N(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001455819967 1066437577 /nfs/dbraw/zinc/43/75/77/1066437577.db2.gz FZALROQGBIHBLN-MRXNPFEDSA-N 0 0 451.411 4.677 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3CCOCC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361148945 1066438179 /nfs/dbraw/zinc/43/81/79/1066438179.db2.gz CHWLUNUKVGDQSD-RTWAWAEBSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@@](C)=O)CCC2)c1 ZINC001361149202 1066438669 /nfs/dbraw/zinc/43/86/69/1066438669.db2.gz MIBDEZAOFMGCBC-MGBGTMOVSA-N 0 0 470.639 4.783 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001361149064 1066438705 /nfs/dbraw/zinc/43/87/05/1066438705.db2.gz GXWSTBXJUGWBSA-UHFFFAOYSA-N 0 0 467.614 4.671 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)=C2 ZINC001455824150 1066438857 /nfs/dbraw/zinc/43/88/57/1066438857.db2.gz KLXAZCRUBCCVDT-AREMUKBSSA-N 0 0 456.583 4.501 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC001455825699 1066438894 /nfs/dbraw/zinc/43/88/94/1066438894.db2.gz WANPINLZLNELBY-XLQHLMKVSA-N 0 0 453.391 4.816 20 0 JJADRN Cc1ccc(CN(CCCC(C)C)C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)o1 ZINC001455824823 1066438956 /nfs/dbraw/zinc/43/89/56/1066438956.db2.gz MLMOTTWBRSHJSI-UHFFFAOYSA-N 0 0 456.612 4.809 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](C)c3ccc(-n4nc(C)cc4C)cc3)c(=O)oc2c1 ZINC001444265932 1066438880 /nfs/dbraw/zinc/43/88/80/1066438880.db2.gz CPSZHPFQBYTRFU-LJQANCHMSA-N 0 0 458.562 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@]2(C)COCCO2)c1 ZINC001361149382 1066439481 /nfs/dbraw/zinc/43/94/81/1066439481.db2.gz SPNDTCCNSNCNHN-AREMUKBSSA-N 0 0 456.631 4.684 20 0 JJADRN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001455831012 1066439622 /nfs/dbraw/zinc/43/96/22/1066439622.db2.gz OZDKYQZJEMUXCU-FZMZJTMJSA-N 0 0 459.431 4.661 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CC=CCC2)c1 ZINC001361149502 1066439961 /nfs/dbraw/zinc/43/99/61/1066439961.db2.gz VSVDFPJPIGGNKG-OAQYLSRUSA-N 0 0 454.615 4.666 20 0 JJADRN COC(=O)[C@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1cccc2ccccc21 ZINC001455837312 1066440275 /nfs/dbraw/zinc/44/02/75/1066440275.db2.gz DRKALUPZPDVIQA-XMMPIXPASA-N 0 0 459.571 4.765 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC001444270118 1066440389 /nfs/dbraw/zinc/44/03/89/1066440389.db2.gz HANKKSPQNBQUJO-HNNXBMFYSA-N 0 0 456.340 4.529 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001444269867 1066440435 /nfs/dbraw/zinc/44/04/35/1066440435.db2.gz ZKHDXQKZKLUFTC-QGZVFWFLSA-N 0 0 458.967 4.647 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546076775 1066440471 /nfs/dbraw/zinc/44/04/71/1066440471.db2.gz ADQDFRULUTZYTJ-AREMUKBSSA-N 0 0 453.631 4.503 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545966544 1066441303 /nfs/dbraw/zinc/44/13/03/1066441303.db2.gz GLWPSCNKBFPHGT-NFBKMPQASA-N 0 0 494.640 4.658 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001455842960 1066441427 /nfs/dbraw/zinc/44/14/27/1066441427.db2.gz ZYFIMHXGLRMNDK-RBBKRZOGSA-N 0 0 459.876 4.639 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361151266 1066441936 /nfs/dbraw/zinc/44/19/36/1066441936.db2.gz GCUSEAPLJBSWKJ-NRFANRHFSA-N 0 0 467.614 4.640 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@](C)(O)c2cccs2)c1 ZINC001361151213 1066441947 /nfs/dbraw/zinc/44/19/47/1066441947.db2.gz FCLRBOZIATXUQY-SANMLTNESA-N 0 0 484.666 4.837 20 0 JJADRN COc1ccccc1-n1c(NC(=O)c2n[nH]c(C(C)C)c2Br)nc2ccccc21 ZINC001444275517 1066441942 /nfs/dbraw/zinc/44/19/42/1066441942.db2.gz MAKJYJBKXNIRSE-UHFFFAOYSA-N 0 0 454.328 4.895 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@H](NC(N)=O)c2cccs2)c1 ZINC001444276618 1066441998 /nfs/dbraw/zinc/44/19/98/1066441998.db2.gz YFWZRMRPYHSSCQ-VXKWHMMOSA-N 0 0 451.592 4.573 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361151242 1066442096 /nfs/dbraw/zinc/44/20/96/1066442096.db2.gz FSOZXPFAJMURQM-OOICKAIWSA-N 0 0 458.672 4.865 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)n1 ZINC001444272776 1066442133 /nfs/dbraw/zinc/44/21/33/1066442133.db2.gz JLUZJQVCNNPZPS-VKVQTHCXSA-N 0 0 456.590 4.618 20 0 JJADRN O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC(CCc2ccccc2)CC1 ZINC001455853391 1066442169 /nfs/dbraw/zinc/44/21/69/1066442169.db2.gz IOCGOUYZTZTDPM-JOCHJYFZSA-N 0 0 455.396 4.673 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361151491 1066443248 /nfs/dbraw/zinc/44/32/48/1066443248.db2.gz BMBJASUFJJSXOG-UYAOXDASSA-N 0 0 479.591 4.983 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001444283608 1066443314 /nfs/dbraw/zinc/44/33/14/1066443314.db2.gz KABNNYGCRHDGTC-INIZCTEOSA-N 0 0 457.452 4.728 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361151579 1066443315 /nfs/dbraw/zinc/44/33/15/1066443315.db2.gz KFMAZOPMRQZSFL-OYRHEFFESA-N 0 0 485.698 4.595 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCOC[C@H]2CCCO2)c1 ZINC001361151547 1066443329 /nfs/dbraw/zinc/44/33/29/1066443329.db2.gz JVXUKAGNZGNTCD-AKIFATBCSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001455868927 1066443394 /nfs/dbraw/zinc/44/33/94/1066443394.db2.gz DMFDGCJMSOZONJ-UWJYYQICSA-N 0 0 452.498 4.600 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361151655 1066443883 /nfs/dbraw/zinc/44/38/83/1066443883.db2.gz CXOGHSQZTLUILE-FQEVSTJZSA-N 0 0 476.687 4.560 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444288515 1066443993 /nfs/dbraw/zinc/44/39/93/1066443993.db2.gz ZVNAGAWZTPGQMY-KRWDZBQOSA-N 0 0 452.502 4.874 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC001455873232 1066444059 /nfs/dbraw/zinc/44/40/59/1066444059.db2.gz HKIMJYBMCPHPCE-UHFFFAOYSA-N 0 0 456.384 4.849 20 0 JJADRN CO[C@@H](C)CN(C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001444291830 1066444047 /nfs/dbraw/zinc/44/40/47/1066444047.db2.gz GFHZKHFMBPSFIB-HOTGVXAUSA-N 0 0 459.637 4.958 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361151977 1066444765 /nfs/dbraw/zinc/44/47/65/1066444765.db2.gz NPNAZXWXGVHMPT-WZONZLPQSA-N 0 0 464.532 4.724 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545966658 1066445248 /nfs/dbraw/zinc/44/52/48/1066445248.db2.gz IHBHAYOGRVZJID-DFQSSKMNSA-N 0 0 457.619 4.882 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)s1 ZINC001361152234 1066445970 /nfs/dbraw/zinc/44/59/70/1066445970.db2.gz RFDOFQLHGDPJIP-UHFFFAOYSA-N 0 0 495.693 4.975 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001444306134 1066446129 /nfs/dbraw/zinc/44/61/29/1066446129.db2.gz ZWDOAGCUGSSAMF-KAGYGMCKSA-N 0 0 459.999 4.583 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)c(C)n2C1CC1 ZINC001455887987 1066446277 /nfs/dbraw/zinc/44/62/77/1066446277.db2.gz AALKHGWQTIXBDE-UHFFFAOYSA-N 0 0 450.539 4.965 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001455889686 1066446619 /nfs/dbraw/zinc/44/66/19/1066446619.db2.gz RNRZMNWUIKSFAA-GBESFXJTSA-N 0 0 455.640 4.564 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001444316391 1066446746 /nfs/dbraw/zinc/44/67/46/1066446746.db2.gz CESRKFRPBGFGRD-JLTOFOAXSA-N 0 0 453.951 4.582 20 0 JJADRN COc1cccc(CC2(C(=O)N3CCN(Cc4ccc(Cl)cc4)C(=O)C3)CCCCC2)c1 ZINC001444315821 1066446758 /nfs/dbraw/zinc/44/67/58/1066446758.db2.gz ALNLFOATSMAUDZ-UHFFFAOYSA-N 0 0 454.998 4.713 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001455889690 1066446751 /nfs/dbraw/zinc/44/67/51/1066446751.db2.gz RNRZMNWUIKSFAA-QYZOEREBSA-N 0 0 455.640 4.564 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)[C@@H](C)c3ccc(I)cc3)C2)n1 ZINC001455889029 1066446787 /nfs/dbraw/zinc/44/67/87/1066446787.db2.gz OYLKPKAJDLJUOF-LSDHHAIUSA-N 0 0 454.377 4.641 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CC[C@H](F)C2)c1 ZINC001361152882 1066447128 /nfs/dbraw/zinc/44/71/28/1066447128.db2.gz XUFOAUOWKMSWIC-JPLJXNOCSA-N 0 0 470.511 4.768 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CC[C@@H](F)C2)c1 ZINC001361152880 1066447297 /nfs/dbraw/zinc/44/72/97/1066447297.db2.gz XUFOAUOWKMSWIC-GNBUJSLZSA-N 0 0 470.511 4.768 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444316440 1066447221 /nfs/dbraw/zinc/44/72/21/1066447221.db2.gz CCDMLXFKUQAWBV-QMOXEECBSA-N 0 0 499.652 4.574 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccc(F)cc2)C1 ZINC001546077371 1066447327 /nfs/dbraw/zinc/44/73/27/1066447327.db2.gz NHCMSXLBNDDMTQ-BXKMTCNYSA-N 0 0 455.603 4.839 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)Nc3cc(Br)c4ccccc4c3)c(=O)[nH]c21 ZINC001455901779 1066447951 /nfs/dbraw/zinc/44/79/51/1066447951.db2.gz JNOXISYTVKSZMH-FPLPWBNLSA-N 0 0 451.324 4.873 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCc2ccsc2)c1 ZINC001361153083 1066447972 /nfs/dbraw/zinc/44/79/72/1066447972.db2.gz ZRIJOSRAKICLMB-FXAWDEMLSA-N 0 0 480.556 4.934 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)Nc3cc(Br)c4ccccc4c3)c(=O)[nH]c21 ZINC001455901763 1066448111 /nfs/dbraw/zinc/44/81/11/1066448111.db2.gz JNOXISYTVKSZMH-BQYQJAHWSA-N 0 0 451.324 4.873 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC001444318649 1066448124 /nfs/dbraw/zinc/44/81/24/1066448124.db2.gz ISOJSLHNTPTFKV-UHFFFAOYSA-N 0 0 458.971 4.900 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361153125 1066448650 /nfs/dbraw/zinc/44/86/50/1066448650.db2.gz VGHDJHPGBSYBTF-LJQANCHMSA-N 0 0 450.505 4.945 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361153288 1066449212 /nfs/dbraw/zinc/44/92/12/1066449212.db2.gz XCGWPWAUWIEXPW-CGKQSPDFSA-N 0 0 460.688 4.894 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001444325518 1066449227 /nfs/dbraw/zinc/44/92/27/1066449227.db2.gz APEVPYAAKCHIRV-MRXNPFEDSA-N 0 0 454.575 4.773 20 0 JJADRN C[C@@]1([C@H]2CCCN(C(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)C2)COC(=O)N1 ZINC001455907365 1066449328 /nfs/dbraw/zinc/44/93/28/1066449328.db2.gz GXUSQYLJBRCANY-AOMKIAJQSA-N 0 0 450.432 4.862 20 0 JJADRN Cn1ccc([C@@H]2CCCN(C(=O)[C@@H](Oc3ccccc3Br)c3ccccc3)C2)n1 ZINC001455910654 1066449334 /nfs/dbraw/zinc/44/93/34/1066449334.db2.gz GQIPWFBLZKHZOM-GCJKJVERSA-N 0 0 454.368 4.709 20 0 JJADRN Cn1cnc(-c2ccc(C(=O)O[C@@H](c3cc(Br)ccc3F)C(F)(F)F)cc2)n1 ZINC001361153563 1066449989 /nfs/dbraw/zinc/44/99/89/1066449989.db2.gz JJTABQREIZXDAE-HNNXBMFYSA-N 0 0 458.209 4.844 20 0 JJADRN CC(=O)N1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)c2ccccc21 ZINC001361154258 1066450318 /nfs/dbraw/zinc/45/03/18/1066450318.db2.gz GTVOHGFYZUXWBE-UHFFFAOYSA-N 0 0 453.336 4.771 20 0 JJADRN CCCN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001444330318 1066450349 /nfs/dbraw/zinc/45/03/49/1066450349.db2.gz WCZCEXRBZDMGJX-KFDHSVMUSA-N 0 0 458.462 4.779 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001444329226 1066450460 /nfs/dbraw/zinc/45/04/60/1066450460.db2.gz NICVTITWUAUVOT-OAHLLOKOSA-N 0 0 454.368 4.858 20 0 JJADRN O=C(Cc1ccccc1N1CCCC1=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001361153694 1066450369 /nfs/dbraw/zinc/45/03/69/1066450369.db2.gz NSYKIBSGMJOZFS-IBGZPJMESA-N 0 0 456.258 4.965 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)O[C@@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c(OC)c1 ZINC001361154023 1066450471 /nfs/dbraw/zinc/45/04/71/1066450471.db2.gz YPFNFTZPZUFEOX-YJYMSZOUSA-N 0 0 457.832 4.557 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(OC)CCOC2)C1 ZINC001546077539 1066450389 /nfs/dbraw/zinc/45/03/89/1066450389.db2.gz QPKITRBDTNHZOD-IZZNHLLZSA-N 0 0 456.631 4.721 20 0 JJADRN C[C@@H](NC(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C)c1cccc(SC(F)(F)F)c1 ZINC001455916087 1066451157 /nfs/dbraw/zinc/45/11/57/1066451157.db2.gz PGLYVBOTXBIRCP-GFCCVEGCSA-N 0 0 458.506 4.548 20 0 JJADRN C[C@@H](C(=O)N1CCS[C@]1(C)Cc1ccccc1)c1ccc(I)cc1 ZINC001455920773 1066451177 /nfs/dbraw/zinc/45/11/77/1066451177.db2.gz JCABSHVILMYUHM-FOIQADDNSA-N 0 0 451.373 4.929 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N[C@H](C)c3cccc(SC(F)(F)F)c3)c(=O)[nH]c21 ZINC001455918942 1066451228 /nfs/dbraw/zinc/45/12/28/1066451228.db2.gz XPEJDKQXFPKESK-SBDDDAINSA-N 0 0 450.486 4.808 20 0 JJADRN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444340543 1066451818 /nfs/dbraw/zinc/45/18/18/1066451818.db2.gz ALLCOFHAVIESKG-SGTLLEGYSA-N 0 0 455.477 4.623 20 0 JJADRN CON1CCC(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)CC1 ZINC001455928605 1066452391 /nfs/dbraw/zinc/45/23/91/1066452391.db2.gz NMGHFQZPXPTCOK-UHFFFAOYSA-N 0 0 451.336 4.612 20 0 JJADRN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001444345735 1066452541 /nfs/dbraw/zinc/45/25/41/1066452541.db2.gz WIRSAPREOIKKAN-FHZYATBESA-N 0 0 457.412 4.934 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSC(C)C)c1 ZINC001361155105 1066452535 /nfs/dbraw/zinc/45/25/35/1066452535.db2.gz LKSVOKRFFCAMKZ-HXUWFJFHSA-N 0 0 489.686 4.719 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)c1 ZINC001361155054 1066452553 /nfs/dbraw/zinc/45/25/53/1066452553.db2.gz JXZQVCXMGLMQFK-WOJBJXKFSA-N 0 0 469.630 4.623 20 0 JJADRN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC001444350885 1066453201 /nfs/dbraw/zinc/45/32/01/1066453201.db2.gz PGMXDEJGJGIRNM-LSDHHAIUSA-N 0 0 453.402 4.723 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001455932547 1066453704 /nfs/dbraw/zinc/45/37/04/1066453704.db2.gz IMPZPYHIAOZJHU-UHFFFAOYSA-N 0 0 451.544 4.713 20 0 JJADRN Cc1nc(N)nc(C)c1C(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F ZINC001455930949 1066453882 /nfs/dbraw/zinc/45/38/82/1066453882.db2.gz XYUFAARDWTYRMC-UHFFFAOYSA-N 0 0 459.319 4.642 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001455933129 1066454193 /nfs/dbraw/zinc/45/41/93/1066454193.db2.gz PJAFYNCMILPEOQ-UHFFFAOYSA-N 0 0 451.489 4.986 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2F)c1 ZINC001444358228 1066454202 /nfs/dbraw/zinc/45/42/02/1066454202.db2.gz LQNOFSWOODTFLY-DEOSSOPVSA-N 0 0 458.493 4.926 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC001455934300 1066454424 /nfs/dbraw/zinc/45/44/24/1066454424.db2.gz SBSPRCJZVKJCSC-UHFFFAOYSA-N 0 0 459.363 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001455933944 1066454457 /nfs/dbraw/zinc/45/44/57/1066454457.db2.gz PNDGPZFNOWMNID-DWXRJYCRSA-N 0 0 467.541 4.735 20 0 JJADRN Cc1nccn1CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 ZINC001361155507 1066455150 /nfs/dbraw/zinc/45/51/50/1066455150.db2.gz VSVBLYUSZFLCJB-UHFFFAOYSA-N 0 0 458.557 4.695 20 0 JJADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)/C=C\Cl ZINC001455935953 1066455222 /nfs/dbraw/zinc/45/52/22/1066455222.db2.gz YOHUROZEBYYRRZ-KFGXCHFISA-N 0 0 456.970 4.576 20 0 JJADRN CC(C)C[C@@H]1CCCCCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC001444364356 1066455316 /nfs/dbraw/zinc/45/53/16/1066455316.db2.gz OKSHBWSGCTWPRQ-FQEVSTJZSA-N 0 0 453.612 4.891 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C)c1 ZINC001361155633 1066455607 /nfs/dbraw/zinc/45/56/07/1066455607.db2.gz FLAZXZHQFAXPJO-NJDAHSKKSA-N 0 0 469.630 4.796 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001455936393 1066455654 /nfs/dbraw/zinc/45/56/54/1066455654.db2.gz URESHQCKCKZYMB-RDPSFJRHSA-N 0 0 452.595 4.912 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@H]2C[C@@H]2C)c1 ZINC001361155632 1066455722 /nfs/dbraw/zinc/45/57/22/1066455722.db2.gz FLAZXZHQFAXPJO-HBMCJLEFSA-N 0 0 469.630 4.796 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCc2ccccn2)c1 ZINC001361155856 1066456349 /nfs/dbraw/zinc/45/63/49/1066456349.db2.gz HEKGMNNGFZYHQD-QHCPKHFHSA-N 0 0 463.626 4.896 20 0 JJADRN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccccc1Sc1ccccc1 ZINC001455940045 1066456476 /nfs/dbraw/zinc/45/64/76/1066456476.db2.gz COMCEHUXZGJTHM-UHFFFAOYSA-N 0 0 456.365 4.706 20 0 JJADRN Cc1c(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)cccc1OCC(F)(F)F ZINC001455942166 1066456755 /nfs/dbraw/zinc/45/67/55/1066456755.db2.gz QTVQVAKFZWLNKX-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN O=C(NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1CSC1=NCCS1 ZINC001455944783 1066456829 /nfs/dbraw/zinc/45/68/29/1066456829.db2.gz UWEWDVIVXSTKAX-UHFFFAOYSA-N 0 0 451.539 4.660 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CC=CCC2)c1 ZINC001361155932 1066456998 /nfs/dbraw/zinc/45/69/98/1066456998.db2.gz JDPUKGQCHADNDB-PKTZIBPZSA-N 0 0 465.642 4.571 20 0 JJADRN Cc1sc(CCNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)nc1-c1ccccc1 ZINC001444389835 1066457374 /nfs/dbraw/zinc/45/73/74/1066457374.db2.gz PCJJMBNRLKIECC-NRFANRHFSA-N 0 0 455.624 4.957 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 ZINC001444395680 1066457522 /nfs/dbraw/zinc/45/75/22/1066457522.db2.gz WMYHROXIXHMSHD-INIZCTEOSA-N 0 0 452.938 4.631 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001455945897 1066457702 /nfs/dbraw/zinc/45/77/02/1066457702.db2.gz XLMRTKUMFFPYBN-UHFFFAOYSA-N 0 0 454.239 4.571 20 0 JJADRN Cc1ccc(C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1-n1cccc1 ZINC001455949432 1066458273 /nfs/dbraw/zinc/45/82/73/1066458273.db2.gz DZSKOZOVUHSLAG-QFIPXVFZSA-N 0 0 451.489 4.848 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1C ZINC001444404068 1066459023 /nfs/dbraw/zinc/45/90/23/1066459023.db2.gz PHATXMJPQNLZIG-UHFFFAOYSA-N 0 0 458.628 4.533 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361156592 1066459247 /nfs/dbraw/zinc/45/92/47/1066459247.db2.gz ZFWKSPDFDYQTED-FCHUYYIVSA-N 0 0 499.725 4.748 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001361156448 1066459426 /nfs/dbraw/zinc/45/94/26/1066459426.db2.gz VROVVNAWJDWOGQ-VQTJNVASSA-N 0 0 478.584 4.682 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967089 1066460045 /nfs/dbraw/zinc/46/00/45/1066460045.db2.gz PQXKGOLRGBOGCZ-ICSRJNTNSA-N 0 0 487.645 4.892 20 0 JJADRN Cc1c(Br)cnn1CC(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001361156840 1066459842 /nfs/dbraw/zinc/45/98/42/1066459842.db2.gz GVAVGTATYOYBFC-CYBMUJFWSA-N 0 0 456.056 4.563 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001444409708 1066460146 /nfs/dbraw/zinc/46/01/46/1066460146.db2.gz NBRRHDFIYBMTND-NRFANRHFSA-N 0 0 450.608 4.584 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001361157759 1066460571 /nfs/dbraw/zinc/46/05/71/1066460571.db2.gz IPOPUPKXDGDUFE-GOSISDBHSA-N 0 0 454.596 4.536 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361158413 1066461086 /nfs/dbraw/zinc/46/10/86/1066461086.db2.gz ABXRKEZDWVFQJR-KRWDZBQOSA-N 0 0 495.571 4.807 20 0 JJADRN C[C@@H]1Cc2cccc(C(=O)Nc3cc(I)ccc3Br)c2O1 ZINC001455961743 1066461140 /nfs/dbraw/zinc/46/11/40/1066461140.db2.gz CPTJXGVAKOMYBA-SECBINFHSA-N 0 0 458.093 4.629 20 0 JJADRN CCC[C@H](Cc1ccccc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC001455960723 1066461353 /nfs/dbraw/zinc/46/13/53/1066461353.db2.gz LJLNHCZSJQVTKL-OAQYLSRUSA-N 0 0 456.542 4.633 20 0 JJADRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001455966494 1066462558 /nfs/dbraw/zinc/46/25/58/1066462558.db2.gz HQFYVZWBQKXWBH-UHFFFAOYSA-N 0 0 456.356 4.787 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCO2)c1 ZINC001361158948 1066462667 /nfs/dbraw/zinc/46/26/67/1066462667.db2.gz JSYUSEBTIFOFHF-ZBLYBZFDSA-N 0 0 499.656 4.537 20 0 JJADRN COc1ccc(SCCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC001455968390 1066463121 /nfs/dbraw/zinc/46/31/21/1066463121.db2.gz AFFYIJMJAHEADV-IBGZPJMESA-N 0 0 453.564 4.990 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361159114 1066463183 /nfs/dbraw/zinc/46/31/83/1066463183.db2.gz PESSGXANRUGCQU-CTNGQTDRSA-N 0 0 479.591 4.985 20 0 JJADRN COc1cc(CNC(=O)/C(C)=C/c2ccc(Br)o2)ccc1OCc1cccnc1 ZINC001444467851 1066463366 /nfs/dbraw/zinc/46/33/66/1066463366.db2.gz JQNUEOLTEDOVGG-XNTDXEJSSA-N 0 0 457.324 4.744 20 0 JJADRN COc1cc(CCNC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1C ZINC001444475092 1066464012 /nfs/dbraw/zinc/46/40/12/1066464012.db2.gz FCHYYHKJSWSDLZ-OAQYLSRUSA-N 0 0 455.599 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCSCCCO)c1 ZINC001361159398 1066463980 /nfs/dbraw/zinc/46/39/80/1066463980.db2.gz XWBJOBWEFYOQBC-AREMUKBSSA-N 0 0 470.683 4.916 20 0 JJADRN CN(CCOc1cccc(C(=O)NCc2ccccc2OCC2CC2)c1)C(=O)OC(C)(C)C ZINC001444473941 1066464577 /nfs/dbraw/zinc/46/45/77/1066464577.db2.gz XYAATQUXVINDBG-UHFFFAOYSA-N 0 0 454.567 4.651 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC001444474150 1066464608 /nfs/dbraw/zinc/46/46/08/1066464608.db2.gz ZLZLWRGUXOIWMX-HXUWFJFHSA-N 0 0 451.983 4.680 20 0 JJADRN O=C(NCCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)OCc1ccccc1 ZINC001455974158 1066464557 /nfs/dbraw/zinc/46/45/57/1066464557.db2.gz ZPBZDUXDSFTXLY-UHFFFAOYSA-N 0 0 450.579 4.989 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CC[C@@H](C)C2)c1 ZINC001361159711 1066465175 /nfs/dbraw/zinc/46/51/75/1066465175.db2.gz IHHPZOVXRGHBDH-XLIONFOSSA-N 0 0 465.564 4.594 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCSC(C)C)c1 ZINC001361159904 1066465876 /nfs/dbraw/zinc/46/58/76/1066465876.db2.gz NXXZYMRPJFJRAH-UHFFFAOYSA-N 0 0 489.686 4.530 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)co1 ZINC001455980235 1066465855 /nfs/dbraw/zinc/46/58/55/1066465855.db2.gz GMLDJXIEQFYABI-OUKQBFOZSA-N 0 0 458.470 4.687 20 0 JJADRN CON(C[C@H]1CCCc2ccccc21)C(=O)c1nc(Br)ccc1Br ZINC001455984156 1066466594 /nfs/dbraw/zinc/46/65/94/1066466594.db2.gz HQTJFRBXEYZCJE-CYBMUJFWSA-N 0 0 454.162 4.730 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC001361160844 1066466536 /nfs/dbraw/zinc/46/65/36/1066466536.db2.gz BSSUGYHHNUQNNU-UHFFFAOYSA-N 0 0 452.599 4.955 20 0 JJADRN O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001444493250 1066466746 /nfs/dbraw/zinc/46/67/46/1066466746.db2.gz WQHGDQAKRCUUER-HNNXBMFYSA-N 0 0 450.392 4.738 20 0 JJADRN Cc1ncc(Br)c(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)n1 ZINC001455985433 1066467074 /nfs/dbraw/zinc/46/70/74/1066467074.db2.gz OPAZMKDKPWKNMM-UHFFFAOYSA-N 0 0 450.340 4.782 20 0 JJADRN CCN(OC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C ZINC001455985617 1066467085 /nfs/dbraw/zinc/46/70/85/1066467085.db2.gz KSOJIZRURSPZKF-HXOBKFHXSA-N 0 0 454.567 4.507 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001361161238 1066467059 /nfs/dbraw/zinc/46/70/59/1066467059.db2.gz JLEDAVPDGJMRGT-UHFFFAOYSA-N 0 0 455.400 4.633 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001444493835 1066467428 /nfs/dbraw/zinc/46/74/28/1066467428.db2.gz YCASSZCWNGNXER-GOSISDBHSA-N 0 0 451.405 4.633 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC001444497023 1066467446 /nfs/dbraw/zinc/46/74/46/1066467446.db2.gz ADHDIIBKKJXFJB-NRFANRHFSA-N 0 0 456.583 4.785 20 0 JJADRN COc1cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc(Br)c1OC ZINC001455988975 1066467743 /nfs/dbraw/zinc/46/77/43/1066467743.db2.gz YWRVWYNITYZCDL-UHFFFAOYSA-N 0 0 453.676 4.527 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455988774 1066467928 /nfs/dbraw/zinc/46/79/28/1066467928.db2.gz WXQRKLDZUIFAAT-IMWIBFENSA-N 0 0 455.574 4.802 20 0 JJADRN COc1cc(C=CC(=O)Nc2cc3n[nH]cc3c(C(F)(F)F)c2)cc(Br)c1O ZINC001455989652 1066468527 /nfs/dbraw/zinc/46/85/27/1066468527.db2.gz KRYLOCDDMSOIMB-IHWYPQMZSA-N 0 0 456.218 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ccc(Cl)nc2)c1 ZINC001361162088 1066468994 /nfs/dbraw/zinc/46/89/94/1066468994.db2.gz HNUNELAXLWEYDQ-SFHVURJKSA-N 0 0 455.990 4.574 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001455991899 1066469117 /nfs/dbraw/zinc/46/91/17/1066469117.db2.gz PSLXIBIBWGAQMZ-UHFFFAOYSA-N 0 0 459.449 4.620 20 0 JJADRN CN1CCN(c2nc3ccc(NC(=O)c4cc(Cl)cc(C(F)(F)F)c4)cc3s2)CC1 ZINC001455995197 1066469228 /nfs/dbraw/zinc/46/92/28/1066469228.db2.gz WUHVKIYVECQRKT-UHFFFAOYSA-N 0 0 454.905 4.973 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC2(F)CCC2)c1 ZINC001361162224 1066469391 /nfs/dbraw/zinc/46/93/91/1066469391.db2.gz KUVADYSTCFJWTG-SFHVURJKSA-N 0 0 456.484 4.524 20 0 JJADRN CC[C@H](CNC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC)C(=O)OC(C)(C)C ZINC001455998559 1066469809 /nfs/dbraw/zinc/46/98/09/1066469809.db2.gz NRLZBRKBHISYCS-CYBMUJFWSA-N 0 0 456.967 4.793 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001361162413 1066470223 /nfs/dbraw/zinc/47/02/23/1066470223.db2.gz OEBXCURJMQKXBH-MHZLTWQESA-N 0 0 481.641 4.963 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361162801 1066470861 /nfs/dbraw/zinc/47/08/61/1066470861.db2.gz GVIWOXYPPAHPGZ-AEFFLSMTSA-N 0 0 463.479 4.730 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)C1 ZINC001444512273 1066470885 /nfs/dbraw/zinc/47/08/85/1066470885.db2.gz ULKNKYNNUQUGKE-QGZVFWFLSA-N 0 0 451.007 4.919 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 ZINC001444511894 1066471083 /nfs/dbraw/zinc/47/10/83/1066471083.db2.gz HRFLGLFLEXKMGH-CQSZACIVSA-N 0 0 453.539 4.780 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccc(NCc3nccn3C)cc2)C1 ZINC001444515145 1066471514 /nfs/dbraw/zinc/47/15/14/1066471514.db2.gz WYDCJYGMFNSEBM-GOSISDBHSA-N 0 0 452.986 4.789 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2O)C1 ZINC001444513948 1066471558 /nfs/dbraw/zinc/47/15/58/1066471558.db2.gz VFMCLZXCGYTTNV-CQSZACIVSA-N 0 0 452.776 4.841 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361163198 1066471839 /nfs/dbraw/zinc/47/18/39/1066471839.db2.gz KTMFDBWRRBWVHM-NVQXNPDNSA-N 0 0 472.699 4.993 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001444515622 1066471880 /nfs/dbraw/zinc/47/18/80/1066471880.db2.gz MYROCAILWBBBJA-YWZLYKJASA-N 0 0 457.958 4.917 20 0 JJADRN O=C(CSc1cccc(Br)c1)NCc1cccc(COC2CCOCC2)c1 ZINC001456012451 1066472655 /nfs/dbraw/zinc/47/26/55/1066472655.db2.gz YZZPMUAPRYEYGE-UHFFFAOYSA-N 0 0 450.398 4.553 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC001456014583 1066473153 /nfs/dbraw/zinc/47/31/53/1066473153.db2.gz AWCPSCLUZGPWFN-UHFFFAOYSA-N 0 0 457.452 4.721 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC001456014795 1066473304 /nfs/dbraw/zinc/47/33/04/1066473304.db2.gz AVDMBHUMTFBOKK-UHFFFAOYSA-N 0 0 458.578 4.622 20 0 JJADRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 ZINC001444540778 1066473307 /nfs/dbraw/zinc/47/33/07/1066473307.db2.gz CDJWMMXKZQUKLM-FQEVSTJZSA-N 0 0 451.979 4.945 20 0 JJADRN C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCCOCC1CCOCC1)c1ccccc1 ZINC001444536393 1066473548 /nfs/dbraw/zinc/47/35/48/1066473548.db2.gz YINMUXQLQNRMBS-SANMLTNESA-N 0 0 452.620 4.746 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)[C@H]2C)c(C)o1 ZINC001361163834 1066474031 /nfs/dbraw/zinc/47/40/31/1066474031.db2.gz RIUYHBHWNTUXCS-KCPMXOJXSA-N 0 0 484.666 4.922 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2ccc(NCCc3ccccn3)cc2)c1 ZINC001444545126 1066474270 /nfs/dbraw/zinc/47/42/70/1066474270.db2.gz DAAHZGLUGHSSCS-UHFFFAOYSA-N 0 0 454.530 4.862 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCOc1ccc(C)cc1Br ZINC001456016642 1066474744 /nfs/dbraw/zinc/47/47/44/1066474744.db2.gz MRQLUDHWWZVONB-UHFFFAOYSA-N 0 0 457.409 4.726 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)c1 ZINC001456016410 1066474911 /nfs/dbraw/zinc/47/49/11/1066474911.db2.gz GYWRIDNMNRQWKP-UHFFFAOYSA-N 0 0 451.426 4.994 20 0 JJADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc(Nc3ccc(Cl)cc3)c(Cl)c1)CC2 ZINC001444556905 1066475042 /nfs/dbraw/zinc/47/50/42/1066475042.db2.gz MXGALQRESZDBSE-RBUKOAKNSA-N 0 0 450.366 4.524 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1(C)C ZINC001444559420 1066475795 /nfs/dbraw/zinc/47/57/95/1066475795.db2.gz FEVGRVWHMHGMNE-SFTDATJTSA-N 0 0 459.631 4.530 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001456017794 1066475747 /nfs/dbraw/zinc/47/57/47/1066475747.db2.gz DVUNQZOFPZCXPM-QGZVFWFLSA-N 0 0 456.258 4.816 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC001456017978 1066475808 /nfs/dbraw/zinc/47/58/08/1066475808.db2.gz NUVQDAGWMZSNKR-KRWDZBQOSA-N 0 0 457.258 4.945 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3cnn(C)c3)n2Cc2sccc2Br)c1 ZINC001361165271 1066476433 /nfs/dbraw/zinc/47/64/33/1066476433.db2.gz FSBAHUOHOCNCEW-UHFFFAOYSA-N 0 0 473.400 4.823 20 0 JJADRN Cc1csc(CCCCn2c(COc3cc(C)ccc3C)nnc2Nc2cnn(C)c2)n1 ZINC001361165504 1066476512 /nfs/dbraw/zinc/47/65/12/1066476512.db2.gz IMQBFZJXDYCKSP-UHFFFAOYSA-N 0 0 451.600 4.739 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccnc(-c2ccccc2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020001 1066477181 /nfs/dbraw/zinc/47/71/81/1066477181.db2.gz VSTPFFQHTJOWSF-NTKDMRAZSA-N 0 0 457.578 4.527 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C(C)C)n3CCc3csc(C(C)(C)C)n3)C2)cc1 ZINC001361166436 1066477633 /nfs/dbraw/zinc/47/76/33/1066477633.db2.gz UJYRXOPEZSYSKA-RUZDIDTESA-N 0 0 453.656 4.805 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1)C1CCCC1 ZINC001444567636 1066477723 /nfs/dbraw/zinc/47/77/23/1066477723.db2.gz NRYOAPUUVBGQCU-DEOSSOPVSA-N 0 0 454.998 4.732 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456020769 1066477729 /nfs/dbraw/zinc/47/77/29/1066477729.db2.gz SUJUBMUYMSFWDR-HMFYCAOWSA-N 0 0 453.421 4.782 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456021199 1066478430 /nfs/dbraw/zinc/47/84/30/1066478430.db2.gz YVVKBQYESVJRGC-DVECYGJZSA-N 0 0 453.631 4.621 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@@H]4CCCCO4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166729 1066478534 /nfs/dbraw/zinc/47/85/34/1066478534.db2.gz ZURSJHMVNURAOG-NRFANRHFSA-N 0 0 479.591 4.880 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001444572908 1066478666 /nfs/dbraw/zinc/47/86/66/1066478666.db2.gz YVEHKIBZZVAJPR-HSZRJFAPSA-N 0 0 452.938 4.702 20 0 JJADRN COC(=O)CC[C@H](NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001456022727 1066479191 /nfs/dbraw/zinc/47/91/91/1066479191.db2.gz YUPZWQQHHWYMAG-FCHUYYIVSA-N 0 0 452.551 4.679 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(c3ccc(C)cc3)C2)n1 ZINC001361166937 1066479235 /nfs/dbraw/zinc/47/92/35/1066479235.db2.gz CCSNOBBWPRCZFY-AVRWGWEMSA-N 0 0 453.656 4.842 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC001444594625 1066479495 /nfs/dbraw/zinc/47/94/95/1066479495.db2.gz AJVLNYLFZWVHEU-RISCZKNCSA-N 0 0 450.885 4.849 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3cccc4cccc(Br)c43)n[nH]2)cc1OC ZINC001444586939 1066479549 /nfs/dbraw/zinc/47/95/49/1066479549.db2.gz SFCJANXSPOZSBB-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001456022728 1066479905 /nfs/dbraw/zinc/47/99/05/1066479905.db2.gz YUPZWQQHHWYMAG-FGZHOGPDSA-N 0 0 452.551 4.679 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C4CCN(C(=O)OC(C)(C)C)CC4)n3CCC(C)C)C2)cc1 ZINC001361167270 1066479930 /nfs/dbraw/zinc/47/99/30/1066479930.db2.gz MBCTXOAKUZFWHI-NDEPHWFRSA-N 0 0 497.684 4.845 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001456023342 1066479960 /nfs/dbraw/zinc/47/99/60/1066479960.db2.gz UWDMWYMKKLPRLB-UHFFFAOYSA-N 0 0 452.711 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444601180 1066480103 /nfs/dbraw/zinc/48/01/03/1066480103.db2.gz JPEHGNGHAXAJTP-RBBKRZOGSA-N 0 0 454.542 4.903 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3cc(Br)c(C)s3)n[nH]2)cc(OC)c1 ZINC001444601222 1066480278 /nfs/dbraw/zinc/48/02/78/1066480278.db2.gz JTUXKOAWWOEUGY-UHFFFAOYSA-N 0 0 450.358 4.597 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(C(C)C)nnc3N(C)Cc3cn(C)nc3C(F)(F)F)co2)cc1 ZINC001361167494 1066480576 /nfs/dbraw/zinc/48/05/76/1066480576.db2.gz RSZDURXCJRNBLW-UHFFFAOYSA-N 0 0 473.503 4.802 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCOC(C)C)C2)cc1 ZINC001361167601 1066480626 /nfs/dbraw/zinc/48/06/26/1066480626.db2.gz VCQOYKPCYQSWPJ-GKAFBRTNSA-N 0 0 484.685 4.808 20 0 JJADRN O=C(Nc1ccc(Cl)c(NC(=O)C2CC2)c1)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001456024977 1066480694 /nfs/dbraw/zinc/48/06/94/1066480694.db2.gz CDKRUOCCWIBLKR-UHFFFAOYSA-N 0 0 452.820 4.558 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001444605022 1066480812 /nfs/dbraw/zinc/48/08/12/1066480812.db2.gz IMXSKRKSHSGGGW-VGOFRKELSA-N 0 0 452.551 4.656 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001444605633 1066480826 /nfs/dbraw/zinc/48/08/26/1066480826.db2.gz JIKXEZRUSLSCRM-IAQYHMDHSA-N 0 0 450.885 4.849 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC4CCCC4)n3CCSCC(F)(F)F)C2)cc1 ZINC001361167940 1066481394 /nfs/dbraw/zinc/48/13/94/1066481394.db2.gz XKFBQKZLDVWMFR-JOCHJYFZSA-N 0 0 468.589 4.713 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C4CCCC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361167803 1066481524 /nfs/dbraw/zinc/48/15/24/1066481524.db2.gz WROFQJVCZKRQBV-DCFHFQCYSA-N 0 0 483.657 4.597 20 0 JJADRN Cc1cccc2c(CC(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)Cc4cc(F)ccc43)c[nH]c21 ZINC001456028658 1066481494 /nfs/dbraw/zinc/48/14/94/1066481494.db2.gz XQQNLFRLFUANHE-QGZVFWFLSA-N 0 0 451.542 4.888 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)NCC(C)(C)c4ccc(C)cc4)cnc32)c(OC)c1 ZINC001456028043 1066481540 /nfs/dbraw/zinc/48/15/40/1066481540.db2.gz DAYLGBAIJGOHMI-UHFFFAOYSA-N 0 0 458.562 4.513 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)s1 ZINC001361168809 1066482035 /nfs/dbraw/zinc/48/20/35/1066482035.db2.gz LWKJARVMVZMEDM-QGZVFWFLSA-N 0 0 457.518 4.949 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001444610729 1066482052 /nfs/dbraw/zinc/48/20/52/1066482052.db2.gz QFQLLOQHTSRRSU-PGRDOPGGSA-N 0 0 454.567 4.756 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)s1 ZINC001361168808 1066482157 /nfs/dbraw/zinc/48/21/57/1066482157.db2.gz LWKJARVMVZMEDM-KRWDZBQOSA-N 0 0 457.518 4.949 20 0 JJADRN C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC001456029148 1066482137 /nfs/dbraw/zinc/48/21/37/1066482137.db2.gz KPWDLXAKSYJLRO-JTSKRJEESA-N 0 0 451.364 4.919 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3csc(Br)c3C)n[nH]2)cc(OC)c1 ZINC001444609871 1066482246 /nfs/dbraw/zinc/48/22/46/1066482246.db2.gz XSYJTOFENFLKNR-UHFFFAOYSA-N 0 0 450.358 4.597 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(C(=O)OC(C)(C)C)c1 ZINC001456030625 1066482760 /nfs/dbraw/zinc/48/27/60/1066482760.db2.gz OZCRQGZRRHVPKS-DEOSSOPVSA-N 0 0 458.558 4.930 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1Br ZINC001444613542 1066482952 /nfs/dbraw/zinc/48/29/52/1066482952.db2.gz XWSAHASMGWSXAV-UHFFFAOYSA-N 0 0 458.061 4.979 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001361168967 1066482884 /nfs/dbraw/zinc/48/28/84/1066482884.db2.gz QPDNTFALSKJIQO-YWZLYKJASA-N 0 0 451.995 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2CCCn2cc(Br)cn2)o1 ZINC001361169473 1066483703 /nfs/dbraw/zinc/48/37/03/1066483703.db2.gz FNPRYAGNIKJFSO-OAHLLOKOSA-N 0 0 459.348 4.686 20 0 JJADRN COc1cc(C2(C(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)CCCC2)ccc1C ZINC001456031505 1066483715 /nfs/dbraw/zinc/48/37/15/1066483715.db2.gz BWDFVWBBCRKMIP-HXUWFJFHSA-N 0 0 457.412 4.973 20 0 JJADRN O=C(CCc1cn[nH]c1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444614557 1066483663 /nfs/dbraw/zinc/48/36/63/1066483663.db2.gz MNTJQPQTYGLSDD-LJQANCHMSA-N 0 0 450.739 4.998 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001456032401 1066484128 /nfs/dbraw/zinc/48/41/28/1066484128.db2.gz VQGQGJDSRKOORE-VXKWHMMOSA-N 0 0 454.498 4.539 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001456032400 1066484144 /nfs/dbraw/zinc/48/41/44/1066484144.db2.gz VQGQGJDSRKOORE-FGZHOGPDSA-N 0 0 454.498 4.539 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001444616883 1066484218 /nfs/dbraw/zinc/48/42/18/1066484218.db2.gz FCCYNLPPGQCIRC-SJKOYZFVSA-N 0 0 451.539 4.772 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001444618841 1066484702 /nfs/dbraw/zinc/48/47/02/1066484702.db2.gz GWJHUABJBXWRSK-LAUBAEHRSA-N 0 0 454.571 4.599 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CCC(=O)NC2CCCCC2)o1 ZINC001361169833 1066484767 /nfs/dbraw/zinc/48/47/67/1066484767.db2.gz CCVQAHYLXPJHRE-LJQANCHMSA-N 0 0 479.625 4.849 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001444620749 1066484881 /nfs/dbraw/zinc/48/48/81/1066484881.db2.gz JJUQYMSIBQYUQG-UHFFFAOYSA-N 0 0 459.472 4.973 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c1-c1ccccc1 ZINC001456034663 1066485023 /nfs/dbraw/zinc/48/50/23/1066485023.db2.gz ASLFROJZZVHTTF-UHFFFAOYSA-N 0 0 458.971 4.577 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)Cc2ccccc2Cl)c1 ZINC001456035187 1066485861 /nfs/dbraw/zinc/48/58/61/1066485861.db2.gz BEOLZPAXAXTBCV-UHFFFAOYSA-N 0 0 456.995 4.916 20 0 JJADRN CC(C)n1c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)nc2ccccc21 ZINC001444628447 1066486141 /nfs/dbraw/zinc/48/61/41/1066486141.db2.gz HSOSOXOJPILGIZ-OAQYLSRUSA-N 0 0 458.509 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2CCCN2CCCCCC2=O)o1 ZINC001361170869 1066486421 /nfs/dbraw/zinc/48/64/21/1066486421.db2.gz PVFOXQWOZTVSRR-LJQANCHMSA-N 0 0 453.562 4.976 20 0 JJADRN CCCCCSc1nc2ccc(NC(=O)c3cc(S(N)(=O)=O)sc3C)cc2s1 ZINC001444640021 1066486790 /nfs/dbraw/zinc/48/67/90/1066486790.db2.gz NTFXUNRIDPALGB-UHFFFAOYSA-N 0 0 455.652 4.848 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c1 ZINC001456038897 1066487188 /nfs/dbraw/zinc/48/71/88/1066487188.db2.gz OLOQHRHSRJZWQQ-UHFFFAOYSA-N 0 0 457.777 4.512 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC3)n2CCCOC[C@H]2CCCO2)cc1Br ZINC001361171371 1066487427 /nfs/dbraw/zinc/48/74/27/1066487427.db2.gz OMEGSUFHPJNDMG-LJQANCHMSA-N 0 0 463.420 4.590 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)c4ccccc4)CC3)n2CCOCCC(C)C)o1 ZINC001361172017 1066488729 /nfs/dbraw/zinc/48/87/29/1066488729.db2.gz VOAZUKVQNGIDCJ-UHFFFAOYSA-N 0 0 479.625 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CCc2c(C)noc2C)o1 ZINC001361172047 1066489205 /nfs/dbraw/zinc/48/92/05/1066489205.db2.gz YKLOKUFGGPLXNF-JSRFKQPZSA-N 0 0 467.595 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CCc2c(C)noc2C)o1 ZINC001361172048 1066489424 /nfs/dbraw/zinc/48/94/24/1066489424.db2.gz YKLOKUFGGPLXNF-UAIZEJDJSA-N 0 0 467.595 4.629 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1cc(Br)ccc1Cl ZINC001361172862 1066489980 /nfs/dbraw/zinc/48/99/80/1066489980.db2.gz KYIDEUIRAXUWRU-JTQLQIEISA-N 0 0 458.537 4.930 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c2ccccc12 ZINC001361172790 1066489992 /nfs/dbraw/zinc/48/99/92/1066489992.db2.gz JTEXEFXPKHEKFY-HXUWFJFHSA-N 0 0 452.982 4.622 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1cnc(Cl)c(Br)c1 ZINC001456044769 1066490035 /nfs/dbraw/zinc/49/00/35/1066490035.db2.gz UTSVDEOUQZAWIO-AWEZNQCLSA-N 0 0 450.676 4.618 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456045177 1066490053 /nfs/dbraw/zinc/49/00/53/1066490053.db2.gz BGTLGBQMPWENJE-UZTOHYMASA-N 0 0 452.595 4.854 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456045181 1066490072 /nfs/dbraw/zinc/49/00/72/1066490072.db2.gz BGTLGBQMPWENJE-WINIVTDRSA-N 0 0 452.595 4.854 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1cnc(Cl)c(Br)c1 ZINC001456044770 1066490143 /nfs/dbraw/zinc/49/01/43/1066490143.db2.gz UTSVDEOUQZAWIO-CQSZACIVSA-N 0 0 450.676 4.618 20 0 JJADRN CCc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c2c(n1)onc2C(C)C ZINC001456044775 1066490155 /nfs/dbraw/zinc/49/01/55/1066490155.db2.gz AGXSZRBCCNTVBF-LJQANCHMSA-N 0 0 452.580 4.679 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1coc(Sc2ncccn2)n1)c1ccccc1Cl ZINC001444666267 1066490212 /nfs/dbraw/zinc/49/02/12/1066490212.db2.gz IJHUGASCLUXCOD-IBGZPJMESA-N 0 0 452.923 4.797 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCSCC(F)(F)F)cc1Br ZINC001361173767 1066490715 /nfs/dbraw/zinc/49/07/15/1066490715.db2.gz JFASTOJHSSLSSL-CQSZACIVSA-N 0 0 479.366 4.537 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC001456045396 1066490654 /nfs/dbraw/zinc/49/06/54/1066490654.db2.gz BCIDAFGAKRBPFL-YOEHRIQHSA-N 0 0 453.391 4.918 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001456045460 1066490688 /nfs/dbraw/zinc/49/06/88/1066490688.db2.gz HJMZCCMRKCEHHM-QNHPBRMMSA-N 0 0 453.435 4.716 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c1C ZINC001456046512 1066490739 /nfs/dbraw/zinc/49/07/39/1066490739.db2.gz FFDFIOIZLIWJQB-NLWGTHIKSA-N 0 0 459.409 4.710 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456045716 1066490755 /nfs/dbraw/zinc/49/07/55/1066490755.db2.gz CPQCRDRPIHBLNM-QFIPXVFZSA-N 0 0 452.576 4.689 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC001456046397 1066491108 /nfs/dbraw/zinc/49/11/08/1066491108.db2.gz HESOJOHWMHEBDF-UHFFFAOYSA-N 0 0 455.356 4.566 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H]2CCOC[C@H]2C)cc1Br ZINC001361174583 1066491550 /nfs/dbraw/zinc/49/15/50/1066491550.db2.gz UFKBDTUDEKPCMN-KBAYOESNSA-N 0 0 465.461 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H]2CCOC[C@@H]2C)cc1Br ZINC001361174582 1066491751 /nfs/dbraw/zinc/49/17/51/1066491751.db2.gz UFKBDTUDEKPCMN-CGTJXYLNSA-N 0 0 465.461 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2C[C@@H]2CCO[C@H]2C(C)C)o1 ZINC001361174593 1066491761 /nfs/dbraw/zinc/49/17/61/1066491761.db2.gz UOWHFBCACHMKTJ-KJWPAHLWSA-N 0 0 479.625 4.563 20 0 JJADRN Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1Cl ZINC001456047504 1066491732 /nfs/dbraw/zinc/49/17/32/1066491732.db2.gz HRFLPFSALPYSHV-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCO[C@H](C)C2)cc1Br ZINC001361175081 1066492124 /nfs/dbraw/zinc/49/21/24/1066492124.db2.gz BOZMRTCLVSHKAA-KGLIPLIRSA-N 0 0 461.326 4.830 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001456048058 1066492330 /nfs/dbraw/zinc/49/23/30/1066492330.db2.gz NFGKRNDBHDERTO-UHFFFAOYSA-N 0 0 450.438 4.805 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)CCNc3ccccc3)cc2)s1 ZINC001444680604 1066492743 /nfs/dbraw/zinc/49/27/43/1066492743.db2.gz BDJJAZXFXPRLPL-UHFFFAOYSA-N 0 0 458.381 4.646 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001444681411 1066492917 /nfs/dbraw/zinc/49/29/17/1066492917.db2.gz ZMOSZCYBIKHJPO-RBUKOAKNSA-N 0 0 453.366 4.717 20 0 JJADRN C[C@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)CN1CCOCC1 ZINC001444686575 1066492954 /nfs/dbraw/zinc/49/29/54/1066492954.db2.gz ODQNWHOFWQSRHL-MRXNPFEDSA-N 0 0 453.435 4.984 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361175881 1066493723 /nfs/dbraw/zinc/49/37/23/1066493723.db2.gz XHUOGDZKWGYNMC-WMZOPIPTSA-N 0 0 486.642 4.942 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N=[S@@]2(=O)CCc3ccccc32)(c2ccccc2)CC1 ZINC001456051661 1066493698 /nfs/dbraw/zinc/49/36/98/1066493698.db2.gz SVNCIINLGPVHDY-JGCGQSQUSA-N 0 0 454.592 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361175877 1066493843 /nfs/dbraw/zinc/49/38/43/1066493843.db2.gz XHUOGDZKWGYNMC-AEFFLSMTSA-N 0 0 486.642 4.942 20 0 JJADRN CO[C@]1(C)C[C@@H](NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1(C)C ZINC001444695054 1066493976 /nfs/dbraw/zinc/49/39/76/1066493976.db2.gz BYTJGHPQHJLGBJ-AJTFRIOCSA-N 0 0 450.579 4.624 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC001444695196 1066494454 /nfs/dbraw/zinc/49/44/54/1066494454.db2.gz RCEFXAPSLWZVTQ-NRFANRHFSA-N 0 0 452.624 4.811 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545968549 1066494613 /nfs/dbraw/zinc/49/46/13/1066494613.db2.gz HGZKIMQLRBAGFE-JKSUJKDBSA-N 0 0 453.450 4.855 20 0 JJADRN Cc1csc([C@@H](NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)C2CC2)n1 ZINC001444699642 1066494635 /nfs/dbraw/zinc/49/46/35/1066494635.db2.gz NHZVCKKBOLGFGV-NRFANRHFSA-N 0 0 459.612 4.555 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H](C)CC(=O)OC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC001456053712 1066495152 /nfs/dbraw/zinc/49/51/52/1066495152.db2.gz HQBHNNVTKJWAHV-HFJQGTKSSA-N 0 0 456.608 4.777 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CCSC(C)C)cnn1C ZINC001361177391 1066495133 /nfs/dbraw/zinc/49/51/33/1066495133.db2.gz BSTDCBCJFLRSIY-UHFFFAOYSA-N 0 0 477.476 4.836 20 0 JJADRN CO[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C(C)(C)C ZINC001444699979 1066495124 /nfs/dbraw/zinc/49/51/24/1066495124.db2.gz ARQIPVPYPNOHQA-GOSISDBHSA-N 0 0 451.336 4.631 20 0 JJADRN CO[C@@H](CNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C(C)(C)C ZINC001444699982 1066495136 /nfs/dbraw/zinc/49/51/36/1066495136.db2.gz ARQIPVPYPNOHQA-SFHVURJKSA-N 0 0 451.336 4.631 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CCCc2nnc(C)s2)o1 ZINC001361177426 1066495913 /nfs/dbraw/zinc/49/59/13/1066495913.db2.gz CZNZWMWMAONJBV-UHFFFAOYSA-N 0 0 462.501 4.693 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545968726 1066495965 /nfs/dbraw/zinc/49/59/65/1066495965.db2.gz KNZRPFMPFVJWKA-MSOLQXFVSA-N 0 0 478.037 4.717 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CCc2c(C)noc2C)o1 ZINC001361177557 1066495981 /nfs/dbraw/zinc/49/59/81/1066495981.db2.gz IVKNYVXDWCMWQN-UHFFFAOYSA-N 0 0 460.332 4.686 20 0 JJADRN COc1ccc([C@@H](NC(=O)CNC(=O)c2ccc(F)cc2F)c2ccccc2Cl)c(C)c1 ZINC001444711046 1066496581 /nfs/dbraw/zinc/49/65/81/1066496581.db2.gz ZVNYVYJRUKPMTH-HSZRJFAPSA-N 0 0 458.892 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2CCCCCCO)o1 ZINC001361177588 1066496586 /nfs/dbraw/zinc/49/65/86/1066496586.db2.gz JXTIDQRJOAEWJC-UHFFFAOYSA-N 0 0 453.406 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCOC[C@H]2CCOC2)o1 ZINC001361177604 1066496597 /nfs/dbraw/zinc/49/65/97/1066496597.db2.gz KHWWKVNTZSWNJA-QGZVFWFLSA-N 0 0 462.953 4.719 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCO1 ZINC001361177595 1066496617 /nfs/dbraw/zinc/49/66/17/1066496617.db2.gz KBTMOHATYVNRNH-QHCPKHFHSA-N 0 0 487.446 4.572 20 0 JJADRN COc1cccc([C@H](O)C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001444712475 1066496669 /nfs/dbraw/zinc/49/66/69/1066496669.db2.gz WCBAADWKKNGILO-UPVQGACJSA-N 0 0 454.364 4.765 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545968753 1066496780 /nfs/dbraw/zinc/49/67/80/1066496780.db2.gz LAFMLUQVYQOFCS-NFQMXDRXSA-N 0 0 494.640 4.802 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(F)(F)F)c2ccccc2)c1 ZINC001456057946 1066497347 /nfs/dbraw/zinc/49/73/47/1066497347.db2.gz ORSYUKYWIXRBRO-IBGZPJMESA-N 0 0 452.473 4.727 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)cc3C)cc2c1 ZINC001456057985 1066497386 /nfs/dbraw/zinc/49/73/86/1066497386.db2.gz YBPKNOWMCAUFKP-HXUWFJFHSA-N 0 0 455.967 4.667 20 0 JJADRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001444725010 1066497517 /nfs/dbraw/zinc/49/75/17/1066497517.db2.gz PSDHQCIQMBXHHW-UHFFFAOYSA-N 0 0 452.418 4.851 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C(C)C ZINC001361177922 1066497637 /nfs/dbraw/zinc/49/76/37/1066497637.db2.gz VFKDJICDPOKPHP-JOCHJYFZSA-N 0 0 476.419 4.664 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC001444728131 1066497964 /nfs/dbraw/zinc/49/79/64/1066497964.db2.gz BWKPZXHUHUFWGF-QFIPXVFZSA-N 0 0 452.599 4.845 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC001456060325 1066498431 /nfs/dbraw/zinc/49/84/31/1066498431.db2.gz WOANEPCHDNCZHR-HSZRJFAPSA-N 0 0 459.571 4.710 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545968897 1066498738 /nfs/dbraw/zinc/49/87/38/1066498738.db2.gz NNHIJNIUHXWSEX-TZIWHRDSSA-N 0 0 494.640 4.658 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)C1 ZINC001546078953 1066498886 /nfs/dbraw/zinc/49/88/86/1066498886.db2.gz CKDWAPXMEFOPRO-SXTKOZQMSA-N 0 0 474.675 4.935 20 0 JJADRN CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456062386 1066498996 /nfs/dbraw/zinc/49/89/96/1066498996.db2.gz BAKYVDOOSSGPAW-DEOSSOPVSA-N 0 0 455.574 4.972 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(F)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361178746 1066499461 /nfs/dbraw/zinc/49/94/61/1066499461.db2.gz RHESCRAKVKXNOW-KRWDZBQOSA-N 0 0 451.468 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(F)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361178747 1066499567 /nfs/dbraw/zinc/49/95/67/1066499567.db2.gz RHESCRAKVKXNOW-QGZVFWFLSA-N 0 0 451.468 4.506 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC001456064688 1066499707 /nfs/dbraw/zinc/49/97/07/1066499707.db2.gz JILMCEISAHQIRI-HHHXNRCGSA-N 0 0 454.574 4.761 20 0 JJADRN C[C@@](O)(CNC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccc(F)cc1F ZINC001444742553 1066500036 /nfs/dbraw/zinc/50/00/36/1066500036.db2.gz CPAFBMBCKJLOMI-OAQYLSRUSA-N 0 0 452.339 4.953 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456067059 1066500561 /nfs/dbraw/zinc/50/05/61/1066500561.db2.gz PSYGCELITOKSRU-JWQCQUIFSA-N 0 0 450.627 4.660 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3cncc(Br)c3)n2)cc1F ZINC001456067157 1066500662 /nfs/dbraw/zinc/50/06/62/1066500662.db2.gz LYGWDOYPTWLZHE-GOSISDBHSA-N 0 0 459.319 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC001456067076 1066500811 /nfs/dbraw/zinc/50/08/11/1066500811.db2.gz LTZGALDNSUFMFO-SFHVURJKSA-N 0 0 452.393 4.545 20 0 JJADRN CCN(C(=O)c1cnc(F)c(Br)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456068821 1066501081 /nfs/dbraw/zinc/50/10/81/1066501081.db2.gz VSONOLIEALXUFW-SFHVURJKSA-N 0 0 450.258 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361180488 1066501210 /nfs/dbraw/zinc/50/12/10/1066501210.db2.gz CCTFEHLYSWSAHF-UHFFFAOYSA-N 0 0 457.456 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCCN2CCOC2=O)cc1Br ZINC001361180485 1066501235 /nfs/dbraw/zinc/50/12/35/1066501235.db2.gz CBBMBYCGPCQFES-UHFFFAOYSA-N 0 0 490.427 4.556 20 0 JJADRN Cc1cc([C@](C)(O)CNC(=O)c2ccc(COc3ccccc3Br)cc2)c(C)o1 ZINC001444749777 1066501049 /nfs/dbraw/zinc/50/10/49/1066501049.db2.gz FXIVTJTVWSQBDK-HSZRJFAPSA-N 0 0 458.352 4.875 20 0 JJADRN Cc1cc([C@@](C)(O)CNC(=O)c2ccc(COc3ccccc3Br)cc2)c(C)o1 ZINC001444749783 1066501098 /nfs/dbraw/zinc/50/10/98/1066501098.db2.gz FXIVTJTVWSQBDK-QHCPKHFHSA-N 0 0 458.352 4.875 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)CC2)cc1 ZINC001456067949 1066501145 /nfs/dbraw/zinc/50/11/45/1066501145.db2.gz PPHCFDFGUQQOHS-LJQANCHMSA-N 0 0 451.586 4.651 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC001456069017 1066501257 /nfs/dbraw/zinc/50/12/57/1066501257.db2.gz YHXYPOLEJSUCPD-XTEPFMGCSA-N 0 0 455.602 4.939 20 0 JJADRN C[C@H](O)CC(C)(C)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001444751382 1066501204 /nfs/dbraw/zinc/50/12/04/1066501204.db2.gz SOQOZMGAGKSNFL-NSHDSACASA-N 0 0 453.839 4.706 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC2(C1)CCOCC2)NC(=O)OC(C)(C)C ZINC001545969044 1066502113 /nfs/dbraw/zinc/50/21/13/1066502113.db2.gz PXCFCRLEJZCRGG-GOSISDBHSA-N 0 0 490.048 4.909 20 0 JJADRN C[C@@](O)(CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC001444760961 1066502221 /nfs/dbraw/zinc/50/22/21/1066502221.db2.gz ZDNDWVSNWNBJAU-XMMPIXPASA-N 0 0 453.514 4.771 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N1CCC[C@H]1c1ncc(Br)cn1 ZINC001456072102 1066502691 /nfs/dbraw/zinc/50/26/91/1066502691.db2.gz FLNMUIDCOPWFBL-AWEZNQCLSA-N 0 0 459.569 4.561 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCCOc2ccccc2)o1 ZINC001361181250 1066502866 /nfs/dbraw/zinc/50/28/66/1066502866.db2.gz RLNGHAGQRRNJHE-UHFFFAOYSA-N 0 0 474.487 4.704 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444770416 1066503113 /nfs/dbraw/zinc/50/31/13/1066503113.db2.gz SFQXJRHXNMOPDA-UHFFFAOYSA-N 0 0 453.564 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CC[C@@H](F)C2)cc1Br ZINC001361181408 1066503226 /nfs/dbraw/zinc/50/32/26/1066503226.db2.gz LJWAAPSSBNCSSB-NVXWUHKLSA-N 0 0 459.367 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)n2Cc2ccc(F)cc2)o1 ZINC001361181416 1066503400 /nfs/dbraw/zinc/50/34/00/1066503400.db2.gz LLSDDYVJACXUQP-QGZVFWFLSA-N 0 0 468.533 4.787 20 0 JJADRN CCOc1ccc(SCC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1 ZINC001456074959 1066503490 /nfs/dbraw/zinc/50/34/90/1066503490.db2.gz ZIOHHHICIDCTAU-UHFFFAOYSA-N 0 0 454.592 4.581 20 0 JJADRN CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)c1ccc(I)cc1N ZINC001456075137 1066503535 /nfs/dbraw/zinc/50/35/35/1066503535.db2.gz KGBYXNXBOWJQKV-MRXNPFEDSA-N 0 0 454.739 4.935 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)CNc1ccccc1C(N)=O ZINC001444776828 1066503610 /nfs/dbraw/zinc/50/36/10/1066503610.db2.gz JDSWVMVUCDVGQJ-UHFFFAOYSA-N 0 0 459.525 4.881 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC2(O)CCCCC2)cc1Br ZINC001361181669 1066503640 /nfs/dbraw/zinc/50/36/40/1066503640.db2.gz SIHBOGLSBYGCSB-UHFFFAOYSA-N 0 0 476.444 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCC(=O)N2CCCCCC2)o1 ZINC001361181538 1066503717 /nfs/dbraw/zinc/50/37/17/1066503717.db2.gz NJSCAQRRTXLFDI-UHFFFAOYSA-N 0 0 496.559 4.751 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCc2ccc(O)cc2)o1 ZINC001361181581 1066503783 /nfs/dbraw/zinc/50/37/83/1066503783.db2.gz PGZDJENHGKDMKQ-UHFFFAOYSA-N 0 0 463.485 4.907 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)C2)cc1 ZINC001444781077 1066503847 /nfs/dbraw/zinc/50/38/47/1066503847.db2.gz PNYATUHCDRULBR-AZGAKELHSA-N 0 0 457.574 4.748 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 ZINC001444785826 1066504074 /nfs/dbraw/zinc/50/40/74/1066504074.db2.gz TXQDTFBZNYEHQM-UHFFFAOYSA-N 0 0 452.532 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccsc3)n2CCC(=O)NC(C)C)cc1Br ZINC001361181713 1066504122 /nfs/dbraw/zinc/50/41/22/1066504122.db2.gz UGYZLHLARHCQAH-UHFFFAOYSA-N 0 0 476.444 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@]2(O)CCC[C@@H]2C)o1 ZINC001361181783 1066504133 /nfs/dbraw/zinc/50/41/33/1066504133.db2.gz WJVDLKJTBJKMIT-HXPMCKFVSA-N 0 0 455.506 4.509 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)cc1 ZINC001456078111 1066504516 /nfs/dbraw/zinc/50/45/16/1066504516.db2.gz LTSQQKAMYHMLHT-GOSISDBHSA-N 0 0 456.015 4.672 20 0 JJADRN O=C(c1cccc(I)c1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456077948 1066504636 /nfs/dbraw/zinc/50/46/36/1066504636.db2.gz KXIIGKRGPYUATR-AWEZNQCLSA-N 0 0 454.739 4.909 20 0 JJADRN CCN(C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001444790325 1066504578 /nfs/dbraw/zinc/50/45/78/1066504578.db2.gz BMDOYJBOMKSWIQ-FGZHOGPDSA-N 0 0 450.595 4.657 20 0 JJADRN O=C(c1cccc(I)c1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456077951 1066504721 /nfs/dbraw/zinc/50/47/21/1066504721.db2.gz KXIIGKRGPYUATR-CQSZACIVSA-N 0 0 454.739 4.909 20 0 JJADRN CCN(C(=O)[C@H]1CCCc2nn(C)cc21)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078828 1066505011 /nfs/dbraw/zinc/50/50/11/1066505011.db2.gz WIOUAWHXCFUSKL-UGKGYDQZSA-N 0 0 453.384 4.636 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc(OCC(F)F)nc1 ZINC001456080860 1066505598 /nfs/dbraw/zinc/50/55/98/1066505598.db2.gz BINAUVDVAHDGTB-OAQYLSRUSA-N 0 0 451.473 4.955 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CCN1C(=O)OC(C)(C)C ZINC001444803151 1066505712 /nfs/dbraw/zinc/50/57/12/1066505712.db2.gz BFJALCVRTSKDFP-CQSZACIVSA-N 0 0 453.967 4.768 20 0 JJADRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001444799486 1066505723 /nfs/dbraw/zinc/50/57/23/1066505723.db2.gz FXYXSJYXFURAQN-VQTJNVASSA-N 0 0 454.514 4.875 20 0 JJADRN C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001456082733 1066505906 /nfs/dbraw/zinc/50/59/06/1066505906.db2.gz FVLCSMWUVPSAKH-KKSFZXQISA-N 0 0 457.368 4.776 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)c2)o1 ZINC001361183815 1066505927 /nfs/dbraw/zinc/50/59/27/1066505927.db2.gz ZPKZJUAZTWRRNI-RUZDIDTESA-N 0 0 456.546 4.774 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)s1 ZINC001444805859 1066506137 /nfs/dbraw/zinc/50/61/37/1066506137.db2.gz PAVIXUDIFUTDDG-ZDUSSCGKSA-N 0 0 458.005 4.738 20 0 JJADRN O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC001456085189 1066506141 /nfs/dbraw/zinc/50/61/41/1066506141.db2.gz NJRWLEGJNGYPND-HNNXBMFYSA-N 0 0 453.988 4.860 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 ZINC001361184071 1066506537 /nfs/dbraw/zinc/50/65/37/1066506537.db2.gz XQKAWALPWINSGE-UHFFFAOYSA-N 0 0 457.420 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)CC(C)(C)c3ccc(F)cc3)nc2)CC1 ZINC001456086050 1066506488 /nfs/dbraw/zinc/50/64/88/1066506488.db2.gz LYLFOYKBACBDMW-UHFFFAOYSA-N 0 0 456.562 4.584 20 0 JJADRN Cc1nc(CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)sc1C ZINC001444806640 1066506666 /nfs/dbraw/zinc/50/66/66/1066506666.db2.gz DWFKMJIIOIHWKQ-UHFFFAOYSA-N 0 0 458.381 4.634 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC001361183862 1066506663 /nfs/dbraw/zinc/50/66/63/1066506663.db2.gz QDCZKCKHLLIGFX-JVDULTGUSA-N 0 0 465.411 4.751 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N3C[C@@H](C)Cc4ccccc43)cc2)c1C(F)(F)F ZINC001456085857 1066506689 /nfs/dbraw/zinc/50/66/89/1066506689.db2.gz JVCKHBDGMPHZFR-HNNXBMFYSA-N 0 0 457.452 4.907 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(I)cc2)o1 ZINC001361184372 1066507000 /nfs/dbraw/zinc/50/70/00/1066507000.db2.gz IADZEEJQCUFHQE-UHFFFAOYSA-N 0 0 490.267 4.888 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)cc1Br ZINC001361184348 1066507045 /nfs/dbraw/zinc/50/70/45/1066507045.db2.gz HJGSQPIONHZXPX-VPTFNQTCSA-N 0 0 497.503 4.569 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC001444807353 1066507031 /nfs/dbraw/zinc/50/70/31/1066507031.db2.gz ULLPIISZEHWLLB-UHFFFAOYSA-N 0 0 454.567 4.985 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001456089139 1066507027 /nfs/dbraw/zinc/50/70/27/1066507027.db2.gz OZUQFHUASZPEDG-VWLOTQADSA-N 0 0 455.558 4.813 20 0 JJADRN C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001444807372 1066507162 /nfs/dbraw/zinc/50/71/62/1066507162.db2.gz JPWOJLICQLFTKZ-KKSFZXQISA-N 0 0 454.958 4.969 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001444808078 1066507187 /nfs/dbraw/zinc/50/71/87/1066507187.db2.gz IWGJRZBBCYGUJG-SJORKVTESA-N 0 0 454.564 4.512 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2cc(Br)cc(C(F)(F)F)c2)nc1C ZINC001456089080 1066507160 /nfs/dbraw/zinc/50/71/60/1066507160.db2.gz RFZVAXDPMUFVQM-UHFFFAOYSA-N 0 0 451.264 4.686 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C ZINC001361184867 1066508706 /nfs/dbraw/zinc/50/87/06/1066508706.db2.gz BCEAYXBBYJXMGW-NRFANRHFSA-N 0 0 453.366 4.859 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC001456098690 1066508828 /nfs/dbraw/zinc/50/88/28/1066508828.db2.gz AMKBYRFBFSCWRY-IBGZPJMESA-N 0 0 456.514 4.867 20 0 JJADRN Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC001444815618 1066508896 /nfs/dbraw/zinc/50/88/96/1066508896.db2.gz XJVSBLVCNROBOP-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)c(C)c4)C[C@@H]3C)cs2)cc1OC ZINC001361185395 1066509195 /nfs/dbraw/zinc/50/91/95/1066509195.db2.gz FPYNLFMMAGUZJR-SFHVURJKSA-N 0 0 451.592 4.795 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccc(O)cc2)C1 ZINC001546079389 1066509280 /nfs/dbraw/zinc/50/92/80/1066509280.db2.gz LDKAEQPOHGNFMT-LVXARBLLSA-N 0 0 469.630 4.925 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCOCC2)C1 ZINC001546079391 1066509311 /nfs/dbraw/zinc/50/93/11/1066509311.db2.gz LDXNWTCLLPNKBI-QHCPKHFHSA-N 0 0 464.079 4.573 20 0 JJADRN Cc1ccc(O[C@@H](C)CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC001444816671 1066509255 /nfs/dbraw/zinc/50/92/55/1066509255.db2.gz YNLAKJVUQICKAI-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN CN(C(=O)Cc1cc(Br)ccc1Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001456103118 1066509871 /nfs/dbraw/zinc/50/98/71/1066509871.db2.gz TUBFIGWZPFNQQN-KRWDZBQOSA-N 0 0 456.167 4.562 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC001444827144 1066509898 /nfs/dbraw/zinc/50/98/98/1066509898.db2.gz KNAUQVRRUJVREW-HYBUGGRVSA-N 0 0 451.592 4.566 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(Br)ccc1Br ZINC001361186408 1066510051 /nfs/dbraw/zinc/51/00/51/1066510051.db2.gz VAZWCICKZHIDDI-UHFFFAOYSA-N 0 0 458.097 4.659 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)/C=C/c3cnc(C(C)(C)C)s3)CCCC2)cc1OC ZINC001361186534 1066510068 /nfs/dbraw/zinc/51/00/68/1066510068.db2.gz SPIHTGWZJSMQMR-PKNBQFBNSA-N 0 0 457.596 4.539 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)c1C(F)(F)F ZINC001361186813 1066510624 /nfs/dbraw/zinc/51/06/24/1066510624.db2.gz WYJTVJMHQWNPCM-JKSUJKDBSA-N 0 0 459.468 4.990 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)cs2)cc1OC ZINC001456105216 1066510577 /nfs/dbraw/zinc/51/05/77/1066510577.db2.gz NMINRKCMDYKUCM-UHFFFAOYSA-N 0 0 456.524 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361187238 1066511004 /nfs/dbraw/zinc/51/10/04/1066511004.db2.gz JUZPVJQMMHJCDB-UHFFFAOYSA-N 0 0 479.412 4.913 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361187263 1066511415 /nfs/dbraw/zinc/51/14/15/1066511415.db2.gz KXNNFBVPMNPSEK-JOCHJYFZSA-N 0 0 493.471 4.584 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCOc1ccccc1C(F)(F)F)c1ccccc1 ZINC001456115781 1066511910 /nfs/dbraw/zinc/51/19/10/1066511910.db2.gz DEPVKZHQACZBPI-KRWDZBQOSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCc2nccs2)cc1Br ZINC001361187369 1066511944 /nfs/dbraw/zinc/51/19/44/1066511944.db2.gz OLQLYNJKFPKPID-UHFFFAOYSA-N 0 0 490.471 4.968 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CC2(C)COC2)cc1Br ZINC001361187441 1066512030 /nfs/dbraw/zinc/51/20/30/1066512030.db2.gz SAZFBTYWNNELLQ-UHFFFAOYSA-N 0 0 470.415 4.517 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001456116037 1066512439 /nfs/dbraw/zinc/51/24/39/1066512439.db2.gz JMGXJPYRGMGEBV-XNWCZRBMSA-N 0 0 455.392 4.876 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@@H](C)N1CSCCSC1)CCO2 ZINC001444851803 1066512724 /nfs/dbraw/zinc/51/27/24/1066512724.db2.gz FYSJLKIREKXZFZ-GCJKJVERSA-N 0 0 458.649 4.633 20 0 JJADRN O=C(NCCOc1ccccc1C(F)(F)F)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001456118947 1066513603 /nfs/dbraw/zinc/51/36/03/1066513603.db2.gz KULVDYGWAMFFJR-UHFFFAOYSA-N 0 0 458.465 4.823 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21)NC(=O)OC(C)(C)C ZINC001444856415 1066513634 /nfs/dbraw/zinc/51/36/34/1066513634.db2.gz NUWJTJHZGNLFBR-APWZRJJASA-N 0 0 458.530 4.994 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001456120319 1066514008 /nfs/dbraw/zinc/51/40/08/1066514008.db2.gz IJNOQKVPTMDXNR-OAHLLOKOSA-N 0 0 456.340 4.673 20 0 JJADRN O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]cc1Cc1ccccc1 ZINC001444860964 1066514058 /nfs/dbraw/zinc/51/40/58/1066514058.db2.gz SOGNLYQIUVDVPS-FQEVSTJZSA-N 0 0 456.386 4.804 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2ccnc(-n3cccn3)c2)c1)c1cccc(C(F)(F)F)c1 ZINC001456121556 1066514521 /nfs/dbraw/zinc/51/45/21/1066514521.db2.gz WZAFHVVLUOOISQ-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN Cc1c(CSC(C)C)cccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001361188945 1066514531 /nfs/dbraw/zinc/51/45/31/1066514531.db2.gz QSZNIPSUIZLTLV-IBGZPJMESA-N 0 0 452.576 4.664 20 0 JJADRN Cc1csc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1I ZINC001361189101 1066514626 /nfs/dbraw/zinc/51/46/26/1066514626.db2.gz VBVAGMOZFPHRHI-NVXWUHKLSA-N 0 0 455.361 4.867 20 0 JJADRN Cc1c(I)cccc1C(=O)N(C)CCc1ccc(Br)cc1 ZINC001456122876 1066514579 /nfs/dbraw/zinc/51/45/79/1066514579.db2.gz KYXGWXPFCYBPFN-UHFFFAOYSA-N 0 0 458.137 4.677 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC001444863166 1066514749 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GYSYPMNWSAEPFM-AZUAARDMSA-N 0 0 477.483 4.804 20 0 JJADRN CN(C[C@@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)OC(C)(C)C ZINC001444886196 1066516345 /nfs/dbraw/zinc/51/63/45/1066516345.db2.gz ZYLJIQPMYICEAT-FQEVSTJZSA-N 0 0 452.599 4.748 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)on1 ZINC001444891469 1066516353 /nfs/dbraw/zinc/51/63/53/1066516353.db2.gz QNTDDUOCERXPGT-UHFFFAOYSA-N 0 0 459.543 4.757 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2OC)C1 ZINC001546079805 1066516799 /nfs/dbraw/zinc/51/67/99/1066516799.db2.gz UEACBMIVOYEGRM-GFTAFNIFSA-N 0 0 461.651 4.792 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)CC(F)(F)F)C1 ZINC001546079798 1066516812 /nfs/dbraw/zinc/51/68/12/1066516812.db2.gz UCUIRFCTBQJJFP-HMFYCAOWSA-N 0 0 459.601 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1ccc(OCc3ccccc3)nc1)C2 ZINC001456131186 1066517161 /nfs/dbraw/zinc/51/71/61/1066517161.db2.gz NYRSMNNITHRXDC-AREMUKBSSA-N 0 0 451.567 4.666 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CC[C@@]4(C3)CCCCN4C(=O)OC(C)(C)C)c12 ZINC001456130967 1066517391 /nfs/dbraw/zinc/51/73/91/1066517391.db2.gz MRDLIFYWRWJCIP-RUZDIDTESA-N 0 0 456.587 4.743 20 0 JJADRN C[C@@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444904470 1066517505 /nfs/dbraw/zinc/51/75/05/1066517505.db2.gz JBEYJLBSLNOLNO-BFUOFWGJSA-N 0 0 450.457 4.955 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)cs2)c1 ZINC001444908152 1066517537 /nfs/dbraw/zinc/51/75/37/1066517537.db2.gz PMERNGMACHGGTA-UHFFFAOYSA-N 0 0 451.548 4.819 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)N3CC[C@@]4(C3)CCCCN4C(=O)OC(C)(C)C)c2)nn1 ZINC001456131803 1066517661 /nfs/dbraw/zinc/51/76/61/1066517661.db2.gz OZADMLZAIPLLGV-RUZDIDTESA-N 0 0 451.571 4.534 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001444911464 1066517856 /nfs/dbraw/zinc/51/78/56/1066517856.db2.gz YJCNWQXTQRURKK-UHFFFAOYSA-N 0 0 450.720 4.547 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001456135673 1066518171 /nfs/dbraw/zinc/51/81/71/1066518171.db2.gz FGLNGDPYAHFXJW-OWWJJEGGSA-N 0 0 453.564 4.758 20 0 JJADRN Cc1c(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1cc(C)ccc1C ZINC001456133728 1066518262 /nfs/dbraw/zinc/51/82/62/1066518262.db2.gz RLVHXEVUWWBCQZ-SANMLTNESA-N 0 0 452.599 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CCc2ccn(C)n2)cc1Br ZINC001361191479 1066518270 /nfs/dbraw/zinc/51/82/70/1066518270.db2.gz VAZVQYFCJQDFOM-UHFFFAOYSA-N 0 0 459.436 4.863 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCNC(=O)c2cccs2)o1 ZINC001361191477 1066518283 /nfs/dbraw/zinc/51/82/83/1066518283.db2.gz VAHOCMPQCDJRJB-UHFFFAOYSA-N 0 0 467.570 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2Cc2ncn(C)n2)cc1Br ZINC001361191557 1066518703 /nfs/dbraw/zinc/51/87/03/1066518703.db2.gz YBMRXWZLWYVKTO-UHFFFAOYSA-N 0 0 486.443 4.669 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545970396 1066518717 /nfs/dbraw/zinc/51/87/17/1066518717.db2.gz CXDARJUMWZRIAA-MSOLQXFVSA-N 0 0 475.659 4.589 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc(-c3ccc(Cl)s3)on2)ccn1 ZINC001444930566 1066518916 /nfs/dbraw/zinc/51/89/16/1066518916.db2.gz FXEYFAUQKFVPRJ-UHFFFAOYSA-N 0 0 454.895 4.856 20 0 JJADRN CCCN(C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456138069 1066519119 /nfs/dbraw/zinc/51/91/19/1066519119.db2.gz AMSCPORATGBTLX-JOCHJYFZSA-N 0 0 454.615 4.913 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)ncn1 ZINC001456138582 1066519143 /nfs/dbraw/zinc/51/91/43/1066519143.db2.gz PDEACLZKFHWXLE-ZJSXRUAMSA-N 0 0 450.970 4.598 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545970399 1066519243 /nfs/dbraw/zinc/51/92/43/1066519243.db2.gz CXDARJUMWZRIAA-ZWKOTPCHSA-N 0 0 475.659 4.589 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)C3=NOC4(C3)CCN(C(=O)OC(C)(C)C)CC4)n2)cc1 ZINC001456138368 1066519321 /nfs/dbraw/zinc/51/93/21/1066519321.db2.gz HIWXRBYKJKMPFR-UHFFFAOYSA-N 0 0 450.539 4.542 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC001361192116 1066519494 /nfs/dbraw/zinc/51/94/94/1066519494.db2.gz HLTKQWOYMAESHA-OAHLLOKOSA-N 0 0 450.892 4.614 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)c(=O)oc2c1 ZINC001456139470 1066519721 /nfs/dbraw/zinc/51/97/21/1066519721.db2.gz REAAUZJRBTWORO-LJQANCHMSA-N 0 0 454.498 4.588 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc43)C2)ncn1 ZINC001456139551 1066519750 /nfs/dbraw/zinc/51/97/50/1066519750.db2.gz RAOSJCHGXJGILI-MAUKXSAKSA-N 0 0 456.015 4.506 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2SCCc3ccccc32)C1 ZINC001456140056 1066519770 /nfs/dbraw/zinc/51/97/70/1066519770.db2.gz VPJVEDFBBGNYJQ-WDZJFXIESA-N 0 0 452.620 4.758 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)cc1C ZINC001444941549 1066520504 /nfs/dbraw/zinc/52/05/04/1066520504.db2.gz BDQJQRCQEBGIFW-UHFFFAOYSA-N 0 0 454.514 4.909 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC001361193807 1066520763 /nfs/dbraw/zinc/52/07/63/1066520763.db2.gz ZHXRWLXTANYZKR-GOSISDBHSA-N 0 0 453.327 4.960 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCOc2ncccc2F)cc1Br ZINC001361194719 1066520993 /nfs/dbraw/zinc/52/09/93/1066520993.db2.gz VEHGYKPTHPAFHC-HOTGVXAUSA-N 0 0 474.378 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2cccc(COCC(F)(F)F)c2)o1 ZINC001361194323 1066521040 /nfs/dbraw/zinc/52/10/40/1066521040.db2.gz KHSMVXATFZAEQG-INIZCTEOSA-N 0 0 478.515 4.977 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2oc3ccccc3c2CO)C1 ZINC001456146130 1066521039 /nfs/dbraw/zinc/52/10/39/1066521039.db2.gz OWOLJYFZDQWREU-KRWDZBQOSA-N 0 0 450.535 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361194314 1066521164 /nfs/dbraw/zinc/52/11/64/1066521164.db2.gz KBYBRFKBODNSMV-IBGZPJMESA-N 0 0 487.645 4.887 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1c(Cl)cccc1Cl ZINC001456145662 1066521222 /nfs/dbraw/zinc/52/12/22/1066521222.db2.gz ARSDQVASSFIASN-MRXNPFEDSA-N 0 0 451.369 4.618 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001456144851 1066521240 /nfs/dbraw/zinc/52/12/40/1066521240.db2.gz MFNLSNWSZDJZQK-WOJBJXKFSA-N 0 0 454.571 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361195281 1066521374 /nfs/dbraw/zinc/52/13/74/1066521374.db2.gz AKLYBONGZUOMFG-SJKOYZFVSA-N 0 0 490.404 4.791 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)NC[C@H]3SCCc4ccccc43)cc2)CC1 ZINC001444952543 1066521488 /nfs/dbraw/zinc/52/14/88/1066521488.db2.gz JAEAJCXZWJBIIN-XMMPIXPASA-N 0 0 451.636 4.788 20 0 JJADRN C[C@@H]1[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CCN1C(=O)OC(C)(C)C ZINC001456146976 1066521570 /nfs/dbraw/zinc/52/15/70/1066521570.db2.gz GBMQLHIXPGOCLG-OUOWLKGYSA-N 0 0 450.579 4.863 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)nn1 ZINC001361195057 1066521418 /nfs/dbraw/zinc/52/14/18/1066521418.db2.gz FZWWRFRIRGMKLL-UHFFFAOYSA-N 0 0 457.346 4.762 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@](C)(O)C2CC2)cc1Br ZINC001361194876 1066521586 /nfs/dbraw/zinc/52/15/86/1066521586.db2.gz YRNVZHZEQIXKFF-HSZRJFAPSA-N 0 0 477.447 4.571 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1 ZINC001444950760 1066521670 /nfs/dbraw/zinc/52/16/70/1066521670.db2.gz BERWPKMHJVTJAM-NRFANRHFSA-N 0 0 452.551 4.751 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCC(=O)N(C)C)cc1Br ZINC001361195543 1066521993 /nfs/dbraw/zinc/52/19/93/1066521993.db2.gz CPSDDQSUIISZIO-NVXWUHKLSA-N 0 0 462.436 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@](C)(O)c2ccco2)cc1Br ZINC001361195484 1066522110 /nfs/dbraw/zinc/52/21/10/1066522110.db2.gz BYHZJJJYWNWGQY-DMPWYTOCSA-N 0 0 491.455 4.847 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC001444954548 1066522026 /nfs/dbraw/zinc/52/20/26/1066522026.db2.gz XFKBEMKOBZGLGN-SFHVURJKSA-N 0 0 457.958 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001444958286 1066522490 /nfs/dbraw/zinc/52/24/90/1066522490.db2.gz NTTQPIHVCNVIBF-PMACEKPBSA-N 0 0 452.636 4.821 20 0 JJADRN CCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001456149887 1066522935 /nfs/dbraw/zinc/52/29/35/1066522935.db2.gz YNJOTZICXFMFBX-UHFFFAOYSA-N 0 0 454.530 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]4CCCC[C@H]43)n2CCNC(=O)C(C)C)cc1Br ZINC001361195839 1066522913 /nfs/dbraw/zinc/52/29/13/1066522913.db2.gz FXFUAYHPBQEHKM-FBBABVLZSA-N 0 0 488.474 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3Cc4ccc(Br)cc4C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361195943 1066523038 /nfs/dbraw/zinc/52/30/38/1066523038.db2.gz HSRJVBHMQAJLQD-UHFFFAOYSA-N 0 0 488.386 4.654 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cc1 ZINC001456151061 1066523410 /nfs/dbraw/zinc/52/34/10/1066523410.db2.gz TVZCOJDLRZQJFS-AWEZNQCLSA-N 0 0 457.423 4.778 20 0 JJADRN Cc1noc(C)c1CCNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001456150211 1066523445 /nfs/dbraw/zinc/52/34/45/1066523445.db2.gz RRZAXZQUMHFBEQ-GOSISDBHSA-N 0 0 456.370 4.865 20 0 JJADRN Cc1cccc2c1CCN(C(=O)c1ccc(I)c(Br)c1)C2 ZINC001456150143 1066523498 /nfs/dbraw/zinc/52/34/98/1066523498.db2.gz MEYSFTXHDINFIZ-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN COCc1nc(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c(-c2ccccc2)s1 ZINC001456151567 1066523566 /nfs/dbraw/zinc/52/35/66/1066523566.db2.gz UIGWGNMYXLESDL-NRFANRHFSA-N 0 0 455.624 4.600 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)COc1ccc(Br)cn1 ZINC001456150432 1066523595 /nfs/dbraw/zinc/52/35/95/1066523595.db2.gz SMEAQIZKSWYYKK-NSHDSACASA-N 0 0 450.333 4.671 20 0 JJADRN COC(=O)c1ccn(CC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)n1 ZINC001456155761 1066524428 /nfs/dbraw/zinc/52/44/28/1066524428.db2.gz RBABIUJSFUYDBR-MSLLRLGPSA-N 0 0 451.611 4.620 20 0 JJADRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2I)C1 ZINC001456152993 1066524574 /nfs/dbraw/zinc/52/45/74/1066524574.db2.gz XXSFWVLOKSWRDA-WCQYABFASA-N 0 0 450.158 4.998 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001444974381 1066524927 /nfs/dbraw/zinc/52/49/27/1066524927.db2.gz JMIPISUXELBAFB-AABGKKOBSA-N 0 0 450.421 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)Cc2cccs2)o1 ZINC001361196828 1066524962 /nfs/dbraw/zinc/52/49/62/1066524962.db2.gz USURYGXMFBMGBO-XUWXXGDYSA-N 0 0 454.518 4.943 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCS2)cc1Br ZINC001361196919 1066524979 /nfs/dbraw/zinc/52/49/79/1066524979.db2.gz VVUNUKMIVQDHTK-ZOBUZTSGSA-N 0 0 451.434 4.525 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c1 ZINC001444974336 1066525131 /nfs/dbraw/zinc/52/51/31/1066525131.db2.gz OZNMKQZESCKFBL-RTFZILSDSA-N 0 0 456.558 4.880 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCSc2ccccc2)o1 ZINC001361197974 1066525942 /nfs/dbraw/zinc/52/59/42/1066525942.db2.gz DNSXBBCNHDPZIU-UHFFFAOYSA-N 0 0 464.513 4.987 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOC1CCC1 ZINC001444984994 1066525999 /nfs/dbraw/zinc/52/59/99/1066525999.db2.gz IXXXYHUVJNXFSV-BVZFJXPGSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361197958 1066526011 /nfs/dbraw/zinc/52/60/11/1066526011.db2.gz CUHDSTUAFVHWOI-MRXNPFEDSA-N 0 0 479.528 4.589 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CCS1 ZINC001444983087 1066526066 /nfs/dbraw/zinc/52/60/66/1066526066.db2.gz CBTGLFADIQWODY-DLBZAZTESA-N 0 0 457.434 4.615 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1scnc1C)Oc1cccc(F)c1 ZINC001545971210 1066526099 /nfs/dbraw/zinc/52/60/99/1066526099.db2.gz TWWPOJSSGCLHBF-GOSISDBHSA-N 0 0 452.559 4.738 20 0 JJADRN CN1C(=O)CCc2cc(NC(=O)c3ccc(NC(=O)CSc4cccs4)cc3)ccc21 ZINC001456162153 1066526208 /nfs/dbraw/zinc/52/62/08/1066526208.db2.gz UDODSQWDIJFLKR-UHFFFAOYSA-N 0 0 451.573 4.640 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)nc21 ZINC001456161244 1066526235 /nfs/dbraw/zinc/52/62/35/1066526235.db2.gz YTOLTYNEYJBTPA-UHFFFAOYSA-N 0 0 452.298 4.643 20 0 JJADRN COC[C@@]1(C(=O)NCc2ccccc2Oc2ccc(C)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001456160004 1066526252 /nfs/dbraw/zinc/52/62/52/1066526252.db2.gz WLJXGUORPKYONU-AREMUKBSSA-N 0 0 454.567 4.677 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C)Oc2cccc(F)c2)o1 ZINC001361198103 1066526437 /nfs/dbraw/zinc/52/64/37/1066526437.db2.gz IZAZHLHYAHDXFG-OAHLLOKOSA-N 0 0 480.462 4.801 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001546080664 1066526676 /nfs/dbraw/zinc/52/66/76/1066526676.db2.gz YGEKYBNEMUVDGA-UHFFFAOYSA-N 0 0 456.391 4.600 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)n[nH]2)cc1 ZINC001444988540 1066526831 /nfs/dbraw/zinc/52/68/31/1066526831.db2.gz BAFLFASGYNPIKL-UHFFFAOYSA-N 0 0 456.984 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001456167724 1066527000 /nfs/dbraw/zinc/52/70/00/1066527000.db2.gz YTVRAHSCYBHHLC-RBBKRZOGSA-N 0 0 456.608 4.666 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361198438 1066527371 /nfs/dbraw/zinc/52/73/71/1066527371.db2.gz RIGSQXWLEGBCMD-HHHXNRCGSA-N 0 0 485.673 4.699 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc32)c1 ZINC001456168435 1066527458 /nfs/dbraw/zinc/52/74/58/1066527458.db2.gz AFVUPIHYXRYLSM-UHFFFAOYSA-N 0 0 450.604 4.766 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=CCC3)n2CCOc2ccc(Cl)cn2)cc1Br ZINC001361198506 1066527629 /nfs/dbraw/zinc/52/76/29/1066527629.db2.gz UBHQIMYLFDYZAZ-UHFFFAOYSA-N 0 0 474.790 4.910 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)CCOc2ccc(Cl)cc2)c2ccc(Cl)cc2)CCO1 ZINC001456171367 1066527874 /nfs/dbraw/zinc/52/78/74/1066527874.db2.gz HAMLLHXSYMSYAC-NRFANRHFSA-N 0 0 451.394 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)CCC[C@H]12 ZINC001444996736 1066528052 /nfs/dbraw/zinc/52/80/52/1066528052.db2.gz HACKXJOSEQJMJM-HFZDXXHNSA-N 0 0 465.550 4.696 20 0 JJADRN O=C(CCc1nc2ccccc2n1-c1ccccc1)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001456170601 1066528057 /nfs/dbraw/zinc/52/80/57/1066528057.db2.gz XDBPFWPGHSWBNE-NRFANRHFSA-N 0 0 453.464 4.827 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCN2CCOCC2)cc1Br ZINC001361199462 1066528082 /nfs/dbraw/zinc/52/80/82/1066528082.db2.gz DYQUZHCWLSSPRM-HXUWFJFHSA-N 0 0 490.490 4.611 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1(C)C ZINC001444997616 1066528474 /nfs/dbraw/zinc/52/84/74/1066528474.db2.gz KLLPXDAQIPISCO-HUUCEWRRSA-N 0 0 450.992 4.660 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001456174392 1066528460 /nfs/dbraw/zinc/52/84/60/1066528460.db2.gz PJMISSFIODTTOZ-UHFFFAOYSA-N 0 0 459.384 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCc2ccccc2F)o1 ZINC001361199755 1066528529 /nfs/dbraw/zinc/52/85/29/1066528529.db2.gz IADTXPIYPVWENB-JOCHJYFZSA-N 0 0 466.479 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)n2CCCCCO)o1 ZINC001361199611 1066528590 /nfs/dbraw/zinc/52/85/90/1066528590.db2.gz HBSVVCBXHFLPQH-QFIPXVFZSA-N 0 0 458.990 4.613 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@H](C)CSc1ccccc1OC ZINC001456175529 1066528847 /nfs/dbraw/zinc/52/88/47/1066528847.db2.gz VMPPMUOJWOMFMO-INIZCTEOSA-N 0 0 455.576 4.596 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccccc2Cl)C1 ZINC001445005661 1066529001 /nfs/dbraw/zinc/52/90/01/1066529001.db2.gz AWCJOBORNYIRBC-CABCVRRESA-N 0 0 450.954 4.860 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001456175674 1066528998 /nfs/dbraw/zinc/52/89/98/1066528998.db2.gz WQJUXOZIZNUGDX-HNNXBMFYSA-N 0 0 457.546 4.806 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)Cc2c(F)ccc(Br)c2F)c1 ZINC001456176159 1066529440 /nfs/dbraw/zinc/52/94/40/1066529440.db2.gz VBSDMVSZQIGUKX-UHFFFAOYSA-N 0 0 458.324 4.705 20 0 JJADRN CCn1cc(Br)c(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)n1 ZINC001456176018 1066529463 /nfs/dbraw/zinc/52/94/63/1066529463.db2.gz CRIFXGZAMIQUIX-CYBMUJFWSA-N 0 0 459.207 4.737 20 0 JJADRN CCOC(=O)C1(CC(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CCOCC1 ZINC001456175915 1066529471 /nfs/dbraw/zinc/52/94/71/1066529471.db2.gz AYOMIGILWQUUQM-AWEZNQCLSA-N 0 0 450.988 4.699 20 0 JJADRN Cc1oc(Br)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001456176205 1066529484 /nfs/dbraw/zinc/52/94/84/1066529484.db2.gz VJRQSGKNMAUESH-KRWDZBQOSA-N 0 0 455.780 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)Oc2ccc(F)cc2)o1 ZINC001361199992 1066529587 /nfs/dbraw/zinc/52/95/87/1066529587.db2.gz KXONMJVDKPSTDO-QMHKHESXSA-N 0 0 496.505 4.983 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CCCn2ccnc2C)o1 ZINC001361200189 1066529864 /nfs/dbraw/zinc/52/98/64/1066529864.db2.gz PFEWNGFZZBCCHY-IBGZPJMESA-N 0 0 497.644 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCCCO2)o1 ZINC001361200316 1066530039 /nfs/dbraw/zinc/53/00/39/1066530039.db2.gz SCCAWGKDHKXBLE-PZJWPPBQSA-N 0 0 487.645 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361200205 1066530063 /nfs/dbraw/zinc/53/00/63/1066530063.db2.gz PPKAOAADCCGMCT-MDYRTPRTSA-N 0 0 498.628 4.995 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@@H](C)O1 ZINC001456177882 1066529952 /nfs/dbraw/zinc/52/99/52/1066529952.db2.gz HCZKILUROCXBQL-RTBURBONSA-N 0 0 454.567 4.540 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C2)cc1 ZINC001445012703 1066530018 /nfs/dbraw/zinc/53/00/18/1066530018.db2.gz VICGKXUZXAROCM-FQEVSTJZSA-N 0 0 455.565 4.966 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@](C)(O)c2ccc(F)cc2)o1 ZINC001361200434 1066530377 /nfs/dbraw/zinc/53/03/77/1066530377.db2.gz WJTPJBVXQDCMRB-NRFANRHFSA-N 0 0 452.452 4.672 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1=O ZINC001456178537 1066530447 /nfs/dbraw/zinc/53/04/47/1066530447.db2.gz LWTVMDNTTDFJCY-SFHVURJKSA-N 0 0 453.970 4.520 20 0 JJADRN CSc1cccc([C@@H](NC(=O)CNC(=O)OCc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC001445026649 1066530650 /nfs/dbraw/zinc/53/06/50/1066530650.db2.gz GPFGSEYHSFBKIU-HSZRJFAPSA-N 0 0 456.514 4.819 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccc(I)cc2)c1 ZINC001456180221 1066531027 /nfs/dbraw/zinc/53/10/27/1066531027.db2.gz VKSIGDCJHMEWBJ-UHFFFAOYSA-N 0 0 453.276 4.535 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN2CCOC2=O)cc1Br ZINC001361201573 1066531438 /nfs/dbraw/zinc/53/14/38/1066531438.db2.gz DUJSSPMXCLLMCY-KRWDZBQOSA-N 0 0 490.446 4.731 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001456181717 1066531471 /nfs/dbraw/zinc/53/14/71/1066531471.db2.gz WDOLYFDPNXPNPL-AUSIDOKSSA-N 0 0 459.631 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2Cc2ccccc2F)o1 ZINC001361201608 1066531482 /nfs/dbraw/zinc/53/14/82/1066531482.db2.gz FVFFTZWFKKGNJZ-UHFFFAOYSA-N 0 0 469.561 4.918 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2ncccc2N(C)C)cc1Br ZINC001361201652 1066531805 /nfs/dbraw/zinc/53/18/05/1066531805.db2.gz GZPUGMOUOMWAEY-WBVHZDCISA-N 0 0 469.431 4.760 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cn(-c3ccc(F)cc3C)nn2)c1 ZINC001456183462 1066532055 /nfs/dbraw/zinc/53/20/55/1066532055.db2.gz ARJYSKQLTFYYSC-UHFFFAOYSA-N 0 0 457.509 4.617 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC001361202246 1066532507 /nfs/dbraw/zinc/53/25/07/1066532507.db2.gz GJJHTKHOQIKVEH-XXBNENTESA-N 0 0 458.624 4.551 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Oc3ccc4ccccc4c3)CC2)cs1 ZINC001445042095 1066532505 /nfs/dbraw/zinc/53/25/05/1066532505.db2.gz AGNZIXYHBJMRDF-MOPGFXCFSA-N 0 0 453.608 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2CCC(F)(F)CC2)cc1Br ZINC001361202734 1066532959 /nfs/dbraw/zinc/53/29/59/1066532959.db2.gz SVAUGWHYXSVJMY-OAQYLSRUSA-N 0 0 496.400 4.543 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)cs1 ZINC001445047081 1066532949 /nfs/dbraw/zinc/53/29/49/1066532949.db2.gz GONBBTNSYPHGJL-CVEARBPZSA-N 0 0 454.061 4.719 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)cs1 ZINC001445047092 1066533170 /nfs/dbraw/zinc/53/31/70/1066533170.db2.gz GONBBTNSYPHGJL-HOTGVXAUSA-N 0 0 454.061 4.719 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)c2c1C ZINC001445046538 1066533209 /nfs/dbraw/zinc/53/32/09/1066533209.db2.gz KNOKBJUGQFRWSK-LBPRGKRZSA-N 0 0 457.556 4.857 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC001445047978 1066533250 /nfs/dbraw/zinc/53/32/50/1066533250.db2.gz LBANSAUFTLXUCN-UHFFFAOYSA-N 0 0 456.539 4.572 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361203158 1066533254 /nfs/dbraw/zinc/53/32/54/1066533254.db2.gz XZTSBZMHHNNEMK-BJLQDIEVSA-N 0 0 457.619 4.976 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC001456189101 1066533380 /nfs/dbraw/zinc/53/33/80/1066533380.db2.gz WUCFWANJEGTUIP-CQSZACIVSA-N 0 0 457.411 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCC2(C)CC2)cc1Br ZINC001361203937 1066533682 /nfs/dbraw/zinc/53/36/82/1066533682.db2.gz GLUZRYANMKZHEU-UHFFFAOYSA-N 0 0 474.447 4.688 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COCc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456191277 1066533684 /nfs/dbraw/zinc/53/36/84/1066533684.db2.gz GQTLEOCYPYTTKI-WXVAWEFUSA-N 0 0 450.623 4.524 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456192028 1066533694 /nfs/dbraw/zinc/53/36/94/1066533694.db2.gz HLLJLALYGPLIRD-STISWTSRSA-N 0 0 454.014 4.760 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 ZINC001456193738 1066533856 /nfs/dbraw/zinc/53/38/56/1066533856.db2.gz IAQGGYNWBHZNCQ-UHFFFAOYSA-N 0 0 458.518 4.528 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c2ccccc2)c(C)c1 ZINC001546080617 1066533875 /nfs/dbraw/zinc/53/38/75/1066533875.db2.gz WOUKVAKMKHZHSV-HSZRJFAPSA-N 0 0 455.601 4.542 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H]4CCCO4)CC3)n2CCC(C)(C)O)cc1Br ZINC001361204085 1066534117 /nfs/dbraw/zinc/53/41/17/1066534117.db2.gz LLZHIHIUTKGDFQ-HXUWFJFHSA-N 0 0 477.447 4.572 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001456197553 1066534640 /nfs/dbraw/zinc/53/46/40/1066534640.db2.gz BAOKGCDSSCXDDL-UHFFFAOYSA-N 0 0 458.561 4.979 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)c1[nH]cnc1C(=O)c1ccccc1 ZINC001456197451 1066534760 /nfs/dbraw/zinc/53/47/60/1066534760.db2.gz RHQSWAPUVCNVPN-UHFFFAOYSA-N 0 0 453.123 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)o1 ZINC001361204436 1066535098 /nfs/dbraw/zinc/53/50/98/1066535098.db2.gz WSVWFTDYGULFQH-KCZVDYSFSA-N 0 0 487.645 4.601 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCc2ccccc2F)o1 ZINC001361204407 1066535167 /nfs/dbraw/zinc/53/51/67/1066535167.db2.gz VWTHAJHRJVRXHE-LJQANCHMSA-N 0 0 483.588 4.922 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC2CC2)cc1Br ZINC001361204547 1066535677 /nfs/dbraw/zinc/53/56/77/1066535677.db2.gz ZMTVGLYYMQBMFA-UHFFFAOYSA-N 0 0 474.447 4.511 20 0 JJADRN C=CC(=O)Nc1ccc(O)c(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1 ZINC001445063967 1066535872 /nfs/dbraw/zinc/53/58/72/1066535872.db2.gz XGVYOHPVRRDUMR-UHFFFAOYSA-N 0 0 457.368 4.911 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CC[C@H](C)CC3)[C@H]2c2ccccc2OC)cc1 ZINC001456200929 1066536356 /nfs/dbraw/zinc/53/63/56/1066536356.db2.gz VFKIMPZJYOZBTG-WYZBGUQQSA-N 0 0 450.579 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CC(OCCCc4ccccc4)C3)sc2C1 ZINC001445075570 1066536476 /nfs/dbraw/zinc/53/64/76/1066536476.db2.gz CXAYWROSCICKQB-UHFFFAOYSA-N 0 0 456.608 4.515 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCCC(C)C)cc1Br ZINC001361205414 1066536956 /nfs/dbraw/zinc/53/69/56/1066536956.db2.gz IPDQYWZYDASFRS-HXUWFJFHSA-N 0 0 490.490 4.611 20 0 JJADRN C[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)Nc1ccccc1 ZINC001456201085 1066536924 /nfs/dbraw/zinc/53/69/24/1066536924.db2.gz MLIGQHYHRLKZSP-HRAATJIYSA-N 0 0 453.336 4.713 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c(OC)c1 ZINC001456203035 1066537301 /nfs/dbraw/zinc/53/73/01/1066537301.db2.gz LQFDRQNUOUVRAA-UHFFFAOYSA-N 0 0 455.938 4.917 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC001445082267 1066537357 /nfs/dbraw/zinc/53/73/57/1066537357.db2.gz OPBRARJYGPAACX-UHFFFAOYSA-N 0 0 453.995 4.941 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC(F)(F)C2)cc1Br ZINC001361205629 1066537384 /nfs/dbraw/zinc/53/73/84/1066537384.db2.gz NTUSOITYCPYCTG-INIZCTEOSA-N 0 0 469.374 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361205993 1066538393 /nfs/dbraw/zinc/53/83/93/1066538393.db2.gz ZYOVBAUEIVBKHV-HNAYVOBHSA-N 0 0 484.601 4.606 20 0 JJADRN C[C@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445087663 1066538602 /nfs/dbraw/zinc/53/86/02/1066538602.db2.gz FZNFZJOOTZKCCB-GQFJFNLSSA-N 0 0 454.439 4.993 20 0 JJADRN CC(C)(C(=O)N1CC(OCCCOc2ccccc2)C1)c1csc(-c2ccccc2F)n1 ZINC001445090859 1066538636 /nfs/dbraw/zinc/53/86/36/1066538636.db2.gz LXUOUNRVYIMIEG-UHFFFAOYSA-N 0 0 454.567 4.923 20 0 JJADRN COC[C@H](NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 ZINC001361206424 1066538733 /nfs/dbraw/zinc/53/87/33/1066538733.db2.gz MKQNODQDFYMGNM-FXDWHETJSA-N 0 0 454.498 4.535 20 0 JJADRN COC[C@@H](NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 ZINC001361206426 1066538893 /nfs/dbraw/zinc/53/88/93/1066538893.db2.gz MKQNODQDFYMGNM-UCUTXXDUSA-N 0 0 454.498 4.535 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456214567 1066539197 /nfs/dbraw/zinc/53/91/97/1066539197.db2.gz OUDITMADHCCHPN-OAHLLOKOSA-N 0 0 450.322 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC001361207105 1066539312 /nfs/dbraw/zinc/53/93/12/1066539312.db2.gz JFQHFWSCUDCXQT-NVXWUHKLSA-N 0 0 469.374 4.803 20 0 JJADRN Cc1cc(C(=O)N2CCCc3cc(F)cc(C)c32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456216961 1066539618 /nfs/dbraw/zinc/53/96/18/1066539618.db2.gz SKOCXOBHQGKWPV-UHFFFAOYSA-N 0 0 458.599 4.765 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccoc2CC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545972177 1066539754 /nfs/dbraw/zinc/53/97/54/1066539754.db2.gz ARAWLVBSYARCRQ-IBGZPJMESA-N 0 0 482.629 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2ncc(C)s2)o1 ZINC001361207114 1066539698 /nfs/dbraw/zinc/53/96/98/1066539698.db2.gz JNCFGJWNODMBNB-CRAIPNDOSA-N 0 0 486.642 4.861 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N(CC)C[C@H](O)c2ccc(C)cc2)cc1OC ZINC001445132519 1066540087 /nfs/dbraw/zinc/54/00/87/1066540087.db2.gz ZPCXYXYNCPJGNM-IBGZPJMESA-N 0 0 450.373 4.751 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N(CC)C[C@@H](O)c2ccc(C)cc2)cc1OC ZINC001445132531 1066540113 /nfs/dbraw/zinc/54/01/13/1066540113.db2.gz ZPCXYXYNCPJGNM-LJQANCHMSA-N 0 0 450.373 4.751 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1F ZINC001445129305 1066540123 /nfs/dbraw/zinc/54/01/23/1066540123.db2.gz LAKSEJIZUWFBOG-HXUWFJFHSA-N 0 0 457.546 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(F)c2)o1 ZINC001361207331 1066540161 /nfs/dbraw/zinc/54/01/61/1066540161.db2.gz QBJPVJRKBRUGPX-UYAOXDASSA-N 0 0 499.587 4.899 20 0 JJADRN Cc1ccc(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)[C@@H](C)C2)cc1C ZINC001445146646 1066540572 /nfs/dbraw/zinc/54/05/72/1066540572.db2.gz BDIWHIQKCOUGKM-RHKLGIMNSA-N 0 0 455.643 4.909 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2Cc2ccccc2OCC(C)C)o1 ZINC001361207513 1066540612 /nfs/dbraw/zinc/54/06/12/1066540612.db2.gz UUHHWQRRJDFGFQ-UHFFFAOYSA-N 0 0 479.625 4.671 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)no1 ZINC001456230287 1066541084 /nfs/dbraw/zinc/54/10/84/1066541084.db2.gz OMGKNRJYTCIHLK-HXUWFJFHSA-N 0 0 452.511 4.552 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1cncc(-n2ccnn2)c1 ZINC001456231330 1066541343 /nfs/dbraw/zinc/54/13/43/1066541343.db2.gz RUNJWURLKYVHRU-OAQYLSRUSA-N 0 0 456.308 4.822 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001456237568 1066541599 /nfs/dbraw/zinc/54/15/99/1066541599.db2.gz IPBVXHCNEPWGLD-OAQYLSRUSA-N 0 0 452.352 4.934 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2cnn(Cc3ccccc3)c2Br)cc1 ZINC001456236333 1066541729 /nfs/dbraw/zinc/54/17/29/1066541729.db2.gz DZRDBESUUXUOGK-FQEVSTJZSA-N 0 0 456.409 4.933 20 0 JJADRN Cc1ccc([C@H]2CSCCN2C(=O)c2cc(Br)cnc2Br)cc1 ZINC001456234595 1066541784 /nfs/dbraw/zinc/54/17/84/1066541784.db2.gz APFAUCDKCFVKCH-OAHLLOKOSA-N 0 0 456.203 4.845 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001456237079 1066541799 /nfs/dbraw/zinc/54/17/99/1066541799.db2.gz XRLMFDDYDJYYED-UHFFFAOYSA-N 0 0 459.494 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361209241 1066542168 /nfs/dbraw/zinc/54/21/68/1066542168.db2.gz QNNRFRPERUCHEJ-UHFFFAOYSA-N 0 0 493.530 4.819 20 0 JJADRN COc1cccc(CNC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)c1OC1CCCC1 ZINC001456238625 1066542361 /nfs/dbraw/zinc/54/23/61/1066542361.db2.gz DFXUFUOSMBOCAV-OAHLLOKOSA-N 0 0 452.473 4.980 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)n2CCCOC(C)C)o1 ZINC001361210134 1066543160 /nfs/dbraw/zinc/54/31/60/1066543160.db2.gz BMXZFAXSLKKVSP-GOSISDBHSA-N 0 0 487.004 4.565 20 0 JJADRN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241228 1066543187 /nfs/dbraw/zinc/54/31/87/1066543187.db2.gz AMXAIZSJXXLDEM-BBRMVZONSA-N 0 0 452.338 4.553 20 0 JJADRN O=C(CSc1nnnn1C1CCCC1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001445175204 1066543422 /nfs/dbraw/zinc/54/34/22/1066543422.db2.gz QAGRMXMXPHOQRN-UHFFFAOYSA-N 0 0 454.427 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cccc(Br)c4C3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361210304 1066543574 /nfs/dbraw/zinc/54/35/74/1066543574.db2.gz GVTQUDIGIMEZRQ-PMERELPUSA-N 0 0 491.455 4.719 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@H](C)Oc2cccc(F)c2)o1 ZINC001361210233 1066543730 /nfs/dbraw/zinc/54/37/30/1066543730.db2.gz FGQRPHBHOFGTDM-HNNXBMFYSA-N 0 0 461.335 4.942 20 0 JJADRN COc1cccc(CNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c1OC1CCCC1 ZINC001456242691 1066543741 /nfs/dbraw/zinc/54/37/41/1066543741.db2.gz NSDJLFZPLXBCMT-HSZRJFAPSA-N 0 0 450.579 4.704 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)[C@H](CC)CN1C(C)=O ZINC001445182546 1066543585 /nfs/dbraw/zinc/54/35/85/1066543585.db2.gz IOIFRXDETMJGLU-NHCUHLMSSA-N 0 0 450.608 4.717 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2CCCN(C)CC(F)(F)F)o1 ZINC001361210571 1066544091 /nfs/dbraw/zinc/54/40/91/1066544091.db2.gz OLFYQRYCCPTWFG-QAPCUYQASA-N 0 0 480.362 4.751 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cc(F)cc(F)c4C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361210935 1066544581 /nfs/dbraw/zinc/54/45/81/1066544581.db2.gz WCJWEQRGJGEBSN-UHFFFAOYSA-N 0 0 487.551 4.944 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361210765 1066544605 /nfs/dbraw/zinc/54/46/05/1066544605.db2.gz UJUCILVFADDUAA-UHFFFAOYSA-N 0 0 480.407 4.639 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)o1 ZINC001361210619 1066544612 /nfs/dbraw/zinc/54/46/12/1066544612.db2.gz PSZRPUVELPFEMD-UYAOXDASSA-N 0 0 481.597 4.730 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC001456245098 1066544666 /nfs/dbraw/zinc/54/46/66/1066544666.db2.gz OJMHJORHRKQWRT-RPWUZVMVSA-N 0 0 459.608 4.616 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3sc(-c4ccccc4)nc3C(F)F)C2)c1 ZINC001361211206 1066544940 /nfs/dbraw/zinc/54/49/40/1066544940.db2.gz IIQVGPWCSDWZOD-OAHLLOKOSA-N 0 0 459.518 4.774 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3sc(-c4ccccc4)nc3C(F)F)C2)c1 ZINC001361211205 1066545091 /nfs/dbraw/zinc/54/50/91/1066545091.db2.gz IIQVGPWCSDWZOD-HNNXBMFYSA-N 0 0 459.518 4.774 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCC(C)C)C1)Oc1cccc(F)c1 ZINC001545972611 1066545168 /nfs/dbraw/zinc/54/51/68/1066545168.db2.gz JEEFZYSYRQGQFK-IFMALSPDSA-N 0 0 455.578 4.532 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCC(C)C)C1)Oc1cccc(F)c1 ZINC001545972612 1066545738 /nfs/dbraw/zinc/54/57/38/1066545738.db2.gz JEEFZYSYRQGQFK-IRLDBZIGSA-N 0 0 455.578 4.532 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(Cl)ccc2NC2CC2)c1 ZINC001445214124 1066545754 /nfs/dbraw/zinc/54/57/54/1066545754.db2.gz DSKHSNZXQYTSKM-OAQYLSRUSA-N 0 0 459.974 4.997 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@](C)(O)C2CCCCC2)o1 ZINC001361211973 1066546025 /nfs/dbraw/zinc/54/60/25/1066546025.db2.gz FDKPNQFGMZILAQ-DCFHFQCYSA-N 0 0 485.673 4.557 20 0 JJADRN Cc1nn(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c2ncccc12 ZINC001456249361 1066546197 /nfs/dbraw/zinc/54/61/97/1066546197.db2.gz PJQNKFDNPXHUTG-UHFFFAOYSA-N 0 0 454.317 4.938 20 0 JJADRN COc1cccc(C(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c2cccc(OC)c2)c1 ZINC001445221266 1066546606 /nfs/dbraw/zinc/54/66/06/1066546606.db2.gz KVPUCVBWNCLLET-QFIPXVFZSA-N 0 0 459.464 4.532 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)ccc1OCc1cccnc1 ZINC001445222452 1066547113 /nfs/dbraw/zinc/54/71/13/1066547113.db2.gz QKDUXIUICRZFKV-UHFFFAOYSA-N 0 0 457.534 4.568 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)c1 ZINC001361212657 1066547527 /nfs/dbraw/zinc/54/75/27/1066547527.db2.gz HGNGQXSLFDUMAO-UWJYYQICSA-N 0 0 458.624 4.929 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)c(C)c12 ZINC001456256313 1066547988 /nfs/dbraw/zinc/54/79/88/1066547988.db2.gz ZTKBUUMVUJHCTL-UHFFFAOYSA-N 0 0 455.002 4.661 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC=C(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545972910 1066548567 /nfs/dbraw/zinc/54/85/67/1066548567.db2.gz PGRZJPNVTMZXRT-HXUWFJFHSA-N 0 0 454.619 4.826 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@](C)(O)C2CCCCC2)o1 ZINC001361213832 1066548739 /nfs/dbraw/zinc/54/87/39/1066548739.db2.gz BNKCHWVPOZDBCF-XMSQKQJNSA-N 0 0 470.536 4.726 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262330 1066548863 /nfs/dbraw/zinc/54/88/63/1066548863.db2.gz DSOZOQXVUVOIGI-AZUAARDMSA-N 0 0 453.888 4.838 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCCCc1ccc(Br)cc1F ZINC001456262798 1066548882 /nfs/dbraw/zinc/54/88/82/1066548882.db2.gz FFFOSCMGANCXLR-UHFFFAOYSA-N 0 0 452.274 4.723 20 0 JJADRN COCCOc1cncc(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)c1 ZINC001456262410 1066548960 /nfs/dbraw/zinc/54/89/60/1066548960.db2.gz AEISNDUYJSPIKM-UHFFFAOYSA-N 0 0 457.324 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCO[C@H](C)c2ccccc2)o1 ZINC001361214021 1066549023 /nfs/dbraw/zinc/54/90/23/1066549023.db2.gz HHUDWWZBCBPDQQ-GGAORHGYSA-N 0 0 479.625 4.755 20 0 JJADRN COCCc1nc2cc(NC(=O)[C@H]3Cc4c(cccc4C)N3C(=O)OC(C)(C)C)ccc2o1 ZINC001445260323 1066549648 /nfs/dbraw/zinc/54/96/48/1066549648.db2.gz GZXSFAYJJRQPEP-HXUWFJFHSA-N 0 0 451.523 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)c2ccccc2)o1 ZINC001361214070 1066549637 /nfs/dbraw/zinc/54/96/37/1066549637.db2.gz HXTAOTUJNZNGLJ-TZIWHRDSSA-N 0 0 494.640 4.865 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c2ccccc21 ZINC001456265678 1066549799 /nfs/dbraw/zinc/54/97/99/1066549799.db2.gz GOSGKYQSCYTFQQ-NRFANRHFSA-N 0 0 459.546 4.905 20 0 JJADRN CCOc1ccc(CCC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1 ZINC001456266476 1066549817 /nfs/dbraw/zinc/54/98/17/1066549817.db2.gz BFUBAMCMNMYDKY-UHFFFAOYSA-N 0 0 459.514 4.909 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCOC2CCCCCC2)o1 ZINC001361214420 1066550564 /nfs/dbraw/zinc/55/05/64/1066550564.db2.gz PEVLRIYBFMWPNA-NRFANRHFSA-N 0 0 485.673 4.965 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@@H](C)c1nc(-c3ccc(Cl)cc3)no1)O2 ZINC001456269178 1066550618 /nfs/dbraw/zinc/55/06/18/1066550618.db2.gz NNVIBSZRJIUUGS-OWJWWREXSA-N 0 0 455.942 4.982 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1C ZINC001445269959 1066550723 /nfs/dbraw/zinc/55/07/23/1066550723.db2.gz IWTLDQWPBOIMNC-HNNXBMFYSA-N 0 0 453.345 4.847 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC001445270894 1066550798 /nfs/dbraw/zinc/55/07/98/1066550798.db2.gz JTDXTJZMIXTXDB-KRWDZBQOSA-N 0 0 458.381 4.882 20 0 JJADRN CO[C@H](C)c1nc(CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cs1 ZINC001445268577 1066550915 /nfs/dbraw/zinc/55/09/15/1066550915.db2.gz DRSQTUUIDFTGRR-CQSZACIVSA-N 0 0 455.605 4.973 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCCC2(F)F)o1 ZINC001361214659 1066551175 /nfs/dbraw/zinc/55/11/75/1066551175.db2.gz ULUNVHFKWCBMPY-ZWKOTPCHSA-N 0 0 463.573 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCNc2ccccn2)o1 ZINC001361214644 1066551188 /nfs/dbraw/zinc/55/11/88/1066551188.db2.gz UEZFQUJLPFNYCB-FQEVSTJZSA-N 0 0 495.628 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2F)o1 ZINC001361214852 1066551621 /nfs/dbraw/zinc/55/16/21/1066551621.db2.gz YSBZEPCJQUBUHM-RBUKOAKNSA-N 0 0 483.588 4.584 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCS2)o1 ZINC001361214755 1066551649 /nfs/dbraw/zinc/55/16/49/1066551649.db2.gz WNYJXWPILQERQK-QZTJIDSGSA-N 0 0 461.632 4.626 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)Cc2c[nH]c3nccc(Cl)c23)c2ccccc21 ZINC001456272077 1066551720 /nfs/dbraw/zinc/55/17/20/1066551720.db2.gz ZTZDFZIENOBHRZ-OAHLLOKOSA-N 0 0 454.958 4.804 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)Oc1ccccc1C(F)(F)F ZINC001445282869 1066552971 /nfs/dbraw/zinc/55/29/71/1066552971.db2.gz DBKZMXVVHHLNPK-QGPMSJSTSA-N 0 0 458.521 4.918 20 0 JJADRN COc1cc(Cl)c(F)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001456276959 1066553241 /nfs/dbraw/zinc/55/32/41/1066553241.db2.gz IKNNAHQYXUDZHL-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCCC(=O)NC2CC2)cc1Br ZINC001361217575 1066553323 /nfs/dbraw/zinc/55/33/23/1066553323.db2.gz FESSQYHMDWEWCY-FQEVSTJZSA-N 0 0 474.447 4.700 20 0 JJADRN CC[C@@H](CNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)Oc1cccc(F)c1 ZINC001445286431 1066553355 /nfs/dbraw/zinc/55/33/55/1066553355.db2.gz RWXALLCZKGKADM-IBGZPJMESA-N 0 0 458.530 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CC(=O)N(C)C)cc1Br ZINC001361217529 1066553367 /nfs/dbraw/zinc/55/33/67/1066553367.db2.gz DXTIOMKFDBCYHW-GOSISDBHSA-N 0 0 474.428 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCCOC2CCCC2)cc1Br ZINC001361217685 1066553411 /nfs/dbraw/zinc/55/34/11/1066553411.db2.gz LJHBLIDYOCMLMF-SFHVURJKSA-N 0 0 477.447 4.981 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CC[C@H](C(F)(F)F)C1 ZINC001456276949 1066553476 /nfs/dbraw/zinc/55/34/76/1066553476.db2.gz IJVXBQRUSFWXCI-HNNXBMFYSA-N 0 0 450.461 4.576 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCCOC2CCCC2)cc1Br ZINC001361217684 1066553496 /nfs/dbraw/zinc/55/34/96/1066553496.db2.gz LJHBLIDYOCMLMF-GOSISDBHSA-N 0 0 477.447 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2CCC(C)(C)O)cc1Br ZINC001361217555 1066553509 /nfs/dbraw/zinc/55/35/09/1066553509.db2.gz FBOLLSYHLMSZIB-UHFFFAOYSA-N 0 0 477.447 4.574 20 0 JJADRN CCNC(=O)COc1cccc(CNC(=O)/C(=C/c2cccc(Cl)c2)c2cccs2)c1 ZINC001445286735 1066554009 /nfs/dbraw/zinc/55/40/09/1066554009.db2.gz PXGMFTYVYSQDJI-KGENOOAVSA-N 0 0 454.979 4.773 20 0 JJADRN COCc1nc2sc(C(=O)NCCCc3ccc(Cl)cc3Cl)c(C)c2c(OC)n1 ZINC001445287045 1066554020 /nfs/dbraw/zinc/55/40/20/1066554020.db2.gz MDGKMSINHKQNTK-UHFFFAOYSA-N 0 0 454.379 4.824 20 0 JJADRN CCc1ccc(C(C)(C)NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)cc1 ZINC001445290774 1066554344 /nfs/dbraw/zinc/55/43/44/1066554344.db2.gz AWIINANFHAUTBB-UHFFFAOYSA-N 0 0 450.583 4.675 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cc(-c3cccc(OC)c3)no2)cc1 ZINC001456279282 1066554336 /nfs/dbraw/zinc/55/43/36/1066554336.db2.gz IGLPBTAACIDDJM-UHFFFAOYSA-N 0 0 457.486 4.541 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)c3cc(-c4ccc(Br)cc4)no3)on2)c1 ZINC001456278847 1066554348 /nfs/dbraw/zinc/55/43/48/1066554348.db2.gz VULSILFYIDYXJL-UHFFFAOYSA-N 0 0 454.280 4.698 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1ccccc1)CC1CCOCC1 ZINC001456279949 1066554511 /nfs/dbraw/zinc/55/45/11/1066554511.db2.gz GQKJJWQMQWFWGT-UHFFFAOYSA-N 0 0 454.368 4.704 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)on2)c1 ZINC001456281307 1066554763 /nfs/dbraw/zinc/55/47/63/1066554763.db2.gz MVJSSTLTYGJOEK-DEOSSOPVSA-N 0 0 455.514 4.528 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973396 1066554964 /nfs/dbraw/zinc/55/49/64/1066554964.db2.gz YIYZDEHQGCIRCJ-NQIIRXRSSA-N 0 0 450.587 4.841 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1 ZINC001445292340 1066554981 /nfs/dbraw/zinc/55/49/81/1066554981.db2.gz TUYZGCSVWNNBEU-DFBJGRDBSA-N 0 0 457.574 4.865 20 0 JJADRN O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001456282610 1066555283 /nfs/dbraw/zinc/55/52/83/1066555283.db2.gz URODHUNTBLWMPS-UHFFFAOYSA-N 0 0 457.436 4.507 20 0 JJADRN COc1cc(Cl)c(F)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001456284807 1066555363 /nfs/dbraw/zinc/55/53/63/1066555363.db2.gz ZKOXVIVHOBBLFV-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccccc1 ZINC001445295387 1066555575 /nfs/dbraw/zinc/55/55/75/1066555575.db2.gz OVHKDPHNSPSMRV-NRFANRHFSA-N 0 0 454.958 4.684 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001456286770 1066555796 /nfs/dbraw/zinc/55/57/96/1066555796.db2.gz WAMZSAUIGKQWRS-CQSZACIVSA-N 0 0 459.718 4.642 20 0 JJADRN O=C(NC[C@H]1CSCCS1)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001445300629 1066556108 /nfs/dbraw/zinc/55/61/08/1066556108.db2.gz YTJUUFGXJNGBAE-YJBOKZPZSA-N 0 0 456.402 4.673 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC001456288269 1066556264 /nfs/dbraw/zinc/55/62/64/1066556264.db2.gz YZOPYANCRLXCLR-DEOSSOPVSA-N 0 0 459.428 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCOCC3)n2CCC[C@H]2CCCCO2)cc1Br ZINC001361219629 1066556341 /nfs/dbraw/zinc/55/63/41/1066556341.db2.gz IMVDUTYHCZJHMP-LJQANCHMSA-N 0 0 463.420 4.592 20 0 JJADRN Cc1csc([C@](O)(CC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001445321049 1066556743 /nfs/dbraw/zinc/55/67/43/1066556743.db2.gz DEYLKADFCRYMJS-APPDUMDISA-N 0 0 454.436 4.920 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c1 ZINC001456294606 1066556797 /nfs/dbraw/zinc/55/67/97/1066556797.db2.gz UAVDHBZMPFRIEL-GBXCKJPGSA-N 0 0 464.628 4.518 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC001456298518 1066557536 /nfs/dbraw/zinc/55/75/36/1066557536.db2.gz MQCLEZLRXFLWEN-LBPRGKRZSA-N 0 0 452.711 4.892 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC001445329428 1066557714 /nfs/dbraw/zinc/55/77/14/1066557714.db2.gz NHPXUVCHDLJNGN-UHFFFAOYSA-N 0 0 451.007 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361220735 1066557980 /nfs/dbraw/zinc/55/79/80/1066557980.db2.gz BVRHGICYTMZENZ-FQEVSTJZSA-N 0 0 481.597 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2Cc2cccc(Cl)c2C)o1 ZINC001361220802 1066558528 /nfs/dbraw/zinc/55/85/28/1066558528.db2.gz FDBBUXQZIHCJGU-UHFFFAOYSA-N 0 0 471.989 4.771 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361220842 1066558584 /nfs/dbraw/zinc/55/85/84/1066558584.db2.gz GKDFKJSFDDHUMY-CPJSRVTESA-N 0 0 471.671 4.978 20 0 JJADRN C[C@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ccccc1Br ZINC001445337185 1066558845 /nfs/dbraw/zinc/55/88/45/1066558845.db2.gz KZQVSGMSPMHUDK-RHSMWYFYSA-N 0 0 457.409 4.662 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCC(=O)Nc3ccccc3)cc12 ZINC001456302491 1066558933 /nfs/dbraw/zinc/55/89/33/1066558933.db2.gz UIOHSRHAMFIJRD-UHFFFAOYSA-N 0 0 452.967 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2nc(C(C)C)cs2)o1 ZINC001361220980 1066559034 /nfs/dbraw/zinc/55/90/34/1066559034.db2.gz KPEBTMKCTRLEEZ-INIZCTEOSA-N 0 0 486.642 4.920 20 0 JJADRN CCc1cc(C(=O)N(CCOC)CCOc2ccc(F)cc2)c2c(CC(C)(C)C)noc2n1 ZINC001456303394 1066559131 /nfs/dbraw/zinc/55/91/31/1066559131.db2.gz PPOXDXXIJHYSTH-UHFFFAOYSA-N 0 0 457.546 4.681 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2(CC(C)C)CC2)cc1Br ZINC001361221091 1066559383 /nfs/dbraw/zinc/55/93/83/1066559383.db2.gz NJVOALOJBQLJFT-QGZVFWFLSA-N 0 0 474.447 4.509 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(Nc3cccnc3)cc2)ccn1 ZINC001445338406 1066559386 /nfs/dbraw/zinc/55/93/86/1066559386.db2.gz VGAUCDMJAQQXJF-UHFFFAOYSA-N 0 0 453.502 4.933 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC001456304808 1066559543 /nfs/dbraw/zinc/55/95/43/1066559543.db2.gz UKRUFGHRNMPQHU-QFIPXVFZSA-N 0 0 456.652 4.548 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001456306489 1066560104 /nfs/dbraw/zinc/56/01/04/1066560104.db2.gz LBTLSFAHJKGOJU-GOSISDBHSA-N 0 0 455.769 4.619 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445342259 1066560251 /nfs/dbraw/zinc/56/02/51/1066560251.db2.gz BLCANMQVSIBCHF-QGZVFWFLSA-N 0 0 456.675 4.982 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)Nc2nc3ccccc3n2CCc2ccccn2)o1 ZINC001361221691 1066560472 /nfs/dbraw/zinc/56/04/72/1066560472.db2.gz GPJVNXKJIOGTFN-OWBHPGMISA-N 0 0 458.518 4.874 20 0 JJADRN Cc1cccc(CC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1Br ZINC001445345515 1066560519 /nfs/dbraw/zinc/56/05/19/1066560519.db2.gz HZDHJWIPNIVDDL-QGZVFWFLSA-N 0 0 450.682 4.520 20 0 JJADRN CO[C@@H](C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001445345093 1066560532 /nfs/dbraw/zinc/56/05/32/1066560532.db2.gz JDGRABMVPRMESR-NVXWUHKLSA-N 0 0 455.782 4.613 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4cccc(C)c4C)CC3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361222486 1066561011 /nfs/dbraw/zinc/56/10/11/1066561011.db2.gz FHUWNOOEFCETTB-UHFFFAOYSA-N 0 0 495.521 4.707 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4cccs4)CC3)n2CCCCCO)cc1Br ZINC001361222378 1066561057 /nfs/dbraw/zinc/56/10/57/1066561057.db2.gz AUJJBTNLJMILPP-UHFFFAOYSA-N 0 0 490.471 4.567 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CN(Cc2cccnc2)c2ccccc2)n1 ZINC001445351349 1066561117 /nfs/dbraw/zinc/56/11/17/1066561117.db2.gz ZBXJYXZFGGVZLF-UHFFFAOYSA-N 0 0 451.574 4.724 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3cccc(CC(C)C)c3)CC2)cc1 ZINC001456314694 1066561153 /nfs/dbraw/zinc/56/11/53/1066561153.db2.gz AYUBAKWEDNHGGA-VXKWHMMOSA-N 0 0 450.623 4.689 20 0 JJADRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC001361223217 1066561515 /nfs/dbraw/zinc/56/15/15/1066561515.db2.gz HCOWTBKHMXMLDB-GOSISDBHSA-N 0 0 457.409 4.760 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001445352867 1066561485 /nfs/dbraw/zinc/56/14/85/1066561485.db2.gz BFGXUXWQRIZUGU-ZQIUZPCESA-N 0 0 450.954 4.676 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545974187 1066561500 /nfs/dbraw/zinc/56/15/00/1066561500.db2.gz QWSPMVCBLZOEFC-QUCCMNQESA-N 0 0 450.348 4.860 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCC4(CCOCC4)CC3)c2)c1 ZINC001445358338 1066561557 /nfs/dbraw/zinc/56/15/57/1066561557.db2.gz LXQPXMYPJMUPTA-UHFFFAOYSA-N 0 0 456.608 4.573 20 0 JJADRN O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001445355894 1066561615 /nfs/dbraw/zinc/56/16/15/1066561615.db2.gz WRPROPFDONTUAP-HNNXBMFYSA-N 0 0 457.073 4.936 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc12)Nc1ccc(OCCc2ccccc2)nc1 ZINC001456317291 1066561656 /nfs/dbraw/zinc/56/16/56/1066561656.db2.gz IGMMOKGCGNOVQY-UHFFFAOYSA-N 0 0 452.308 4.788 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2cscc2C(F)(F)F)o1 ZINC001361224005 1066561951 /nfs/dbraw/zinc/56/19/51/1066561951.db2.gz GSYIYQPIIUHKJB-HNNXBMFYSA-N 0 0 481.544 4.668 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC001445358722 1066562021 /nfs/dbraw/zinc/56/20/21/1066562021.db2.gz NOWXIYQVQJSRAI-UONOGXRCSA-N 0 0 454.445 4.648 20 0 JJADRN Cc1[nH]nc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1-c1ccc(F)cc1 ZINC001456322800 1066562109 /nfs/dbraw/zinc/56/21/09/1066562109.db2.gz YFNNYDQBBDGIBM-UHFFFAOYSA-N 0 0 453.474 4.553 20 0 JJADRN COc1cccc(N(CC(=O)Nc2n[nH]c(C)c2-c2ccc(F)cc2)C(=O)OC(C)(C)C)c1 ZINC001456320878 1066562163 /nfs/dbraw/zinc/56/21/63/1066562163.db2.gz RSHFXKFCGMSWNV-UHFFFAOYSA-N 0 0 454.502 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC001456322687 1066562253 /nfs/dbraw/zinc/56/22/53/1066562253.db2.gz SVFTUBYNBWQLKG-QFQXNSOFSA-N 0 0 451.567 4.679 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361224097 1066562443 /nfs/dbraw/zinc/56/24/43/1066562443.db2.gz JFSFFNFDRBBZMZ-UHFFFAOYSA-N 0 0 479.450 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCC2(F)CCC2)cc1Br ZINC001361224493 1066563274 /nfs/dbraw/zinc/56/32/74/1066563274.db2.gz VXCLMPQXIQINRX-UHFFFAOYSA-N 0 0 486.380 4.685 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CC[C@H](C)C2)cc1Br ZINC001361224516 1066563472 /nfs/dbraw/zinc/56/34/72/1066563472.db2.gz WRPGFXFXCDVLGN-PKOBYXMFSA-N 0 0 488.474 4.757 20 0 JJADRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445371438 1066563711 /nfs/dbraw/zinc/56/37/11/1066563711.db2.gz AICKXHIXRMVFBP-ICSRJNTNSA-N 0 0 452.551 4.720 20 0 JJADRN COc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c2ccccc2n1 ZINC001456329327 1066563879 /nfs/dbraw/zinc/56/38/79/1066563879.db2.gz JFKJLYCLDZYBNN-MRXNPFEDSA-N 0 0 454.368 4.525 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001361224814 1066563998 /nfs/dbraw/zinc/56/39/98/1066563998.db2.gz IOHFTOJEXRBNGK-INIZCTEOSA-N 0 0 452.776 4.975 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC001445373956 1066564022 /nfs/dbraw/zinc/56/40/22/1066564022.db2.gz POQJOSCDXGQRPD-MHZLTWQESA-N 0 0 455.602 4.677 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1)CC(F)(F)F ZINC001445374864 1066564500 /nfs/dbraw/zinc/56/45/00/1066564500.db2.gz YHNYRVDYWAOYEI-IBGZPJMESA-N 0 0 458.528 4.691 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001456337339 1066564770 /nfs/dbraw/zinc/56/47/70/1066564770.db2.gz XSCALNDOASFXAK-GOSISDBHSA-N 0 0 459.428 4.932 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)nnc1-c1ccccc1 ZINC001456339413 1066565353 /nfs/dbraw/zinc/56/53/53/1066565353.db2.gz PQGVPNHBLFXPFS-XQBPLPMBSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001361227348 1066566001 /nfs/dbraw/zinc/56/60/01/1066566001.db2.gz KZFDTBFEQNCUKB-OAQYLSRUSA-N 0 0 487.446 4.542 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC(F)(F)F)cc1Br ZINC001361227402 1066566068 /nfs/dbraw/zinc/56/60/68/1066566068.db2.gz MFXIGRIJPQHJPT-OAHLLOKOSA-N 0 0 461.326 4.830 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC001445390543 1066566013 /nfs/dbraw/zinc/56/60/13/1066566013.db2.gz JYPRETATFLBOJK-UHFFFAOYSA-N 0 0 454.939 4.712 20 0 JJADRN CCOC(=O)c1n[nH]c(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c1C ZINC001456344235 1066566371 /nfs/dbraw/zinc/56/63/71/1066566371.db2.gz QRDBHROOVOBZMT-UHFFFAOYSA-N 0 0 456.549 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361227824 1066566483 /nfs/dbraw/zinc/56/64/83/1066566483.db2.gz WBTQLSOLEPQBEG-MRXNPFEDSA-N 0 0 464.488 4.840 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001456346639 1066566783 /nfs/dbraw/zinc/56/67/83/1066566783.db2.gz ZMNVEMVDZJNRCN-QWFCFKBJSA-N 0 0 456.926 4.552 20 0 JJADRN CCOc1cc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OCc1cccnc1 ZINC001445401069 1066567032 /nfs/dbraw/zinc/56/70/32/1066567032.db2.gz GHIDEZGPUUSSCZ-CVCYQNGTSA-N 0 0 452.576 4.630 20 0 JJADRN COc1cccc([C@@H](NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399265 1066567047 /nfs/dbraw/zinc/56/70/47/1066567047.db2.gz YWJMFOHNYAMIOZ-ATIYNZHBSA-N 0 0 459.521 4.994 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546081715 1066567182 /nfs/dbraw/zinc/56/71/82/1066567182.db2.gz VIBFCOGBXSABDK-QHCPKHFHSA-N 0 0 474.030 4.916 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCSCC(F)(F)F)cc1Br ZINC001361228737 1066567418 /nfs/dbraw/zinc/56/74/18/1066567418.db2.gz DJUNOYYBLRAJAI-CYBMUJFWSA-N 0 0 479.366 4.537 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4Br)C3)n2C[C@@](C)(O)C(C)C)o1 ZINC001361228908 1066567567 /nfs/dbraw/zinc/56/75/67/1066567567.db2.gz IPECJNRBOLEOSD-NFBKMPQASA-N 0 0 489.414 4.594 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC001456353093 1066567718 /nfs/dbraw/zinc/56/77/18/1066567718.db2.gz SCSBEHINWVOUNS-DYESRHJHSA-N 0 0 452.576 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361229322 1066568201 /nfs/dbraw/zinc/56/82/01/1066568201.db2.gz PLVYAUHRVMKVGQ-QGZVFWFLSA-N 0 0 452.502 4.547 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC001361229424 1066568625 /nfs/dbraw/zinc/56/86/25/1066568625.db2.gz FGYRFZXFFNHIDZ-OAQYLSRUSA-N 0 0 456.652 4.575 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1SC(F)(F)F ZINC001445418828 1066568737 /nfs/dbraw/zinc/56/87/37/1066568737.db2.gz GBSAOTQTLJIPNA-CYBMUJFWSA-N 0 0 453.404 4.829 20 0 JJADRN O=C(CCCCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)OCc1ccccc1 ZINC001445418563 1066568790 /nfs/dbraw/zinc/56/87/90/1066568790.db2.gz XKVBRDHWYJUNHP-UHFFFAOYSA-N 0 0 451.563 4.690 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3ccc(S(C)(=O)=O)cc3)cc2C)c1 ZINC001456356723 1066568767 /nfs/dbraw/zinc/56/87/67/1066568767.db2.gz JJEFYQNKWUOFIQ-UHFFFAOYSA-N 0 0 451.588 4.867 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cnn(C)c3Br)cc2C)cc1 ZINC001456356695 1066569015 /nfs/dbraw/zinc/56/90/15/1066569015.db2.gz IOHSMQJZLZXFTD-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)Oc1ccccc1Cl ZINC001361230001 1066569080 /nfs/dbraw/zinc/56/90/80/1066569080.db2.gz LAZSJDJJLBCSRB-CYBMUJFWSA-N 0 0 455.723 4.560 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2CCOc3c(F)cccc32)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359119 1066569302 /nfs/dbraw/zinc/56/93/02/1066569302.db2.gz KOVBOSJKRGMHRO-NQIIRXRSSA-N 0 0 459.638 4.810 20 0 JJADRN CC1(C)CN(C(=O)c2occc2Br)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456357511 1066569422 /nfs/dbraw/zinc/56/94/22/1066569422.db2.gz HYMFEVKMURVSEF-MRXNPFEDSA-N 0 0 454.441 4.774 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC[C@@H](C)Oc3ccccc3Cl)cc2)cc1 ZINC001361230016 1066569564 /nfs/dbraw/zinc/56/95/64/1066569564.db2.gz LHYPZSBIUNELGA-GOSISDBHSA-N 0 0 457.979 4.820 20 0 JJADRN C[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)n1ccc(C(F)(F)F)n1 ZINC001456359131 1066569723 /nfs/dbraw/zinc/56/97/23/1066569723.db2.gz KWOJTLFNNCFRRK-GFCCVEGCSA-N 0 0 458.362 4.985 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ncc(C(C)(C)C)o2)CC1 ZINC001445428942 1066570369 /nfs/dbraw/zinc/57/03/69/1066570369.db2.gz HVBPUSNZKZTJTC-YPAWHYETSA-N 0 0 453.627 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H]2CCCO2)cc1Br ZINC001361230872 1066570355 /nfs/dbraw/zinc/57/03/55/1066570355.db2.gz DYZHFXUFNFGZDA-BFYDXBDKSA-N 0 0 451.434 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC001445429378 1066570567 /nfs/dbraw/zinc/57/05/67/1066570567.db2.gz JSRDMTOYYSRYHD-NRFANRHFSA-N 0 0 459.587 4.560 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC001445429928 1066570578 /nfs/dbraw/zinc/57/05/78/1066570578.db2.gz BHNWYSRPBROPPU-UHFFFAOYSA-N 0 0 454.558 4.836 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001456361652 1066570783 /nfs/dbraw/zinc/57/07/83/1066570783.db2.gz ZXVUYIVNZCSFBH-UHFFFAOYSA-N 0 0 458.562 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H]2CCCS2)cc1Br ZINC001361231116 1066570990 /nfs/dbraw/zinc/57/09/90/1066570990.db2.gz LPOKBXLNAVJSPD-GOEBONIOSA-N 0 0 453.475 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCc2ccncc2)cc1Br ZINC001361231205 1066571084 /nfs/dbraw/zinc/57/10/84/1066571084.db2.gz NZVXZNWJXUYAGD-INIZCTEOSA-N 0 0 458.429 4.595 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCc2cn[nH]c2)cc1Br ZINC001361231386 1066571399 /nfs/dbraw/zinc/57/13/99/1066571399.db2.gz AFFQRWXAQNCRKU-CZUORRHYSA-N 0 0 483.336 4.616 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)o1 ZINC001361231520 1066571405 /nfs/dbraw/zinc/57/14/05/1066571405.db2.gz RRELQSFGKPJRCQ-UHFFFAOYSA-N 0 0 468.627 4.757 20 0 JJADRN COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccc1 ZINC001445437921 1066571466 /nfs/dbraw/zinc/57/14/66/1066571466.db2.gz OBPBAYMEKVWFTP-MBSDFSHPSA-N 0 0 455.514 4.992 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCC(C)(C)O)cc1Br ZINC001361231663 1066571933 /nfs/dbraw/zinc/57/19/33/1066571933.db2.gz SGWCQABPNDJATH-GJZGRUSLSA-N 0 0 453.450 4.507 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001445441041 1066571904 /nfs/dbraw/zinc/57/19/04/1066571904.db2.gz MXJZMRSPXMMISN-GVDBMIGSSA-N 0 0 457.434 4.805 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001456365786 1066572043 /nfs/dbraw/zinc/57/20/43/1066572043.db2.gz WMYLTYBEHSMVMO-UHFFFAOYSA-N 0 0 452.457 4.790 20 0 JJADRN CC(C)(C)OC(=O)CCCC(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456364697 1066572096 /nfs/dbraw/zinc/57/20/96/1066572096.db2.gz YWHHKIAMOUUOMA-FQEVSTJZSA-N 0 0 451.684 4.617 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC001456364692 1066572128 /nfs/dbraw/zinc/57/21/28/1066572128.db2.gz ZVIASADITVHVCJ-UHFFFAOYSA-N 0 0 457.636 4.754 20 0 JJADRN COc1ccccc1C[C@@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)C(C)C ZINC001445440548 1066572166 /nfs/dbraw/zinc/57/21/66/1066572166.db2.gz ZYDWNXLBNRBKHC-QUCCMNQESA-N 0 0 457.571 4.752 20 0 JJADRN COc1ccc(COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c(OC(F)F)c1 ZINC001456367090 1066572217 /nfs/dbraw/zinc/57/22/17/1066572217.db2.gz MWRGPTKCSGMOML-UHFFFAOYSA-N 0 0 457.408 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361232020 1066572320 /nfs/dbraw/zinc/57/23/20/1066572320.db2.gz VJIMOPHQXKYFOH-BTYIYWSLSA-N 0 0 493.496 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC2CCN(CC(F)(F)F)CC2)o1 ZINC001361232011 1066572355 /nfs/dbraw/zinc/57/23/55/1066572355.db2.gz VCMFQEIGSBWMHS-LJQANCHMSA-N 0 0 471.593 4.699 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@](C)(O)c2ccc(F)cc2)o1 ZINC001361232168 1066572788 /nfs/dbraw/zinc/57/27/88/1066572788.db2.gz MSWBEQHSFBBBEE-PJUBBZNESA-N 0 0 452.452 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361232384 1066572833 /nfs/dbraw/zinc/57/28/33/1066572833.db2.gz ZLVSXPPCUXVWAB-IRXDYDNUSA-N 0 0 471.593 4.841 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)nnn1-c1cccc(C(C)C)c1 ZINC001445454615 1066573115 /nfs/dbraw/zinc/57/31/15/1066573115.db2.gz HLLMRMCHPXOCIE-LJQANCHMSA-N 0 0 454.615 4.927 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCCC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545975364 1066573142 /nfs/dbraw/zinc/57/31/42/1066573142.db2.gz QJPWWXKHIJBLMD-IBGZPJMESA-N 0 0 474.650 4.608 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H](CC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001445454676 1066573151 /nfs/dbraw/zinc/57/31/51/1066573151.db2.gz HORRJCCPYXJJBQ-NRFANRHFSA-N 0 0 450.579 4.509 20 0 JJADRN CCOCCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)CCCC1 ZINC001445454721 1066573258 /nfs/dbraw/zinc/57/32/58/1066573258.db2.gz QRGSYZLNVNNQRB-UHFFFAOYSA-N 0 0 458.624 4.821 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456374099 1066573184 /nfs/dbraw/zinc/57/31/84/1066573184.db2.gz MMEIXKYETVMMEB-PMPKKLMISA-N 0 0 458.505 4.790 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456374084 1066573235 /nfs/dbraw/zinc/57/32/35/1066573235.db2.gz MMEIXKYETVMMEB-CKBGQFLLSA-N 0 0 458.505 4.790 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cs1 ZINC001456372887 1066573339 /nfs/dbraw/zinc/57/33/39/1066573339.db2.gz KXNCFFSEFYQDHQ-SFHVURJKSA-N 0 0 457.502 4.645 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361232637 1066573377 /nfs/dbraw/zinc/57/33/77/1066573377.db2.gz RROWSAIPSWFAAH-UXHICEINSA-N 0 0 481.597 4.726 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001456378707 1066573779 /nfs/dbraw/zinc/57/37/79/1066573779.db2.gz PLHXNDSZIIEPFD-OUCADQQQSA-N 0 0 457.294 4.747 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001456378723 1066573804 /nfs/dbraw/zinc/57/38/04/1066573804.db2.gz PLHXNDSZIIEPFD-YRGRVCCFSA-N 0 0 457.294 4.747 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2)o1 ZINC001361233281 1066573932 /nfs/dbraw/zinc/57/39/32/1066573932.db2.gz DFJDTCRRODILKK-HXUWFJFHSA-N 0 0 453.612 4.593 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC001445463698 1066574082 /nfs/dbraw/zinc/57/40/82/1066574082.db2.gz NABLPCYVFFXDGH-UHFFFAOYSA-N 0 0 455.502 4.501 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(OCc3ccc(Cl)c(Cl)c3)CC1)CO2 ZINC001445463858 1066574141 /nfs/dbraw/zinc/57/41/41/1066574141.db2.gz POMYMEOWPIFSKT-QGZVFWFLSA-N 0 0 450.362 4.761 20 0 JJADRN C[C@H](C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001456382945 1066574250 /nfs/dbraw/zinc/57/42/50/1066574250.db2.gz HLQIVPLGZWHPKU-GOSISDBHSA-N 0 0 456.558 4.851 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001361233733 1066574457 /nfs/dbraw/zinc/57/44/57/1066574457.db2.gz JVFXVPMYMLDEGZ-UHFFFAOYSA-N 0 0 453.873 4.676 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H]2Cc2ccc(OC)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001445468104 1066574634 /nfs/dbraw/zinc/57/46/34/1066574634.db2.gz VQUBYPBMMBHAKT-KRWDZBQOSA-N 0 0 455.505 4.577 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NC(=O)CSc1nnc(C)n1-c1ccccc1OC ZINC001445466129 1066574679 /nfs/dbraw/zinc/57/46/79/1066574679.db2.gz UTCHTHPSNFVSLZ-IBGZPJMESA-N 0 0 454.596 4.589 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361234305 1066574934 /nfs/dbraw/zinc/57/49/34/1066574934.db2.gz MWIVHJAIBGJSFR-KSSFIOAISA-N 0 0 491.543 4.870 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001445471391 1066575191 /nfs/dbraw/zinc/57/51/91/1066575191.db2.gz ZUNBNCNHSYFNAF-URXFXBBRSA-N 0 0 453.579 4.660 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)F)o1 ZINC001361235279 1066575359 /nfs/dbraw/zinc/57/53/59/1066575359.db2.gz UAOXFNOHKNIBSP-MAUKXSAKSA-N 0 0 493.942 4.696 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC001456388833 1066575684 /nfs/dbraw/zinc/57/56/84/1066575684.db2.gz CPJDGDBTVAFIJY-FSQFJQELSA-N 0 0 465.413 4.608 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CC(Cc4ccccc4C(F)(F)F)C3)no2)c1 ZINC001445477952 1066575893 /nfs/dbraw/zinc/57/58/93/1066575893.db2.gz LZSUMSUGFSNTKE-UHFFFAOYSA-N 0 0 458.436 4.790 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445482080 1066575912 /nfs/dbraw/zinc/57/59/12/1066575912.db2.gz DGMAATAUVUFBQV-INIZCTEOSA-N 0 0 456.258 4.525 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC001445479804 1066575932 /nfs/dbraw/zinc/57/59/32/1066575932.db2.gz QOHQUHYCOGZGMH-KHPPLWFESA-N 0 0 456.508 4.658 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1OC1CCCC1)c1ccccc1 ZINC001456391611 1066576072 /nfs/dbraw/zinc/57/60/72/1066576072.db2.gz OSGPIQFQBKUYDB-SANMLTNESA-N 0 0 456.586 4.941 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456390931 1066576150 /nfs/dbraw/zinc/57/61/50/1066576150.db2.gz CONMBQNGZHYMIY-GBESFXJTSA-N 0 0 453.583 4.701 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOC(C)C)o1 ZINC001361236015 1066576383 /nfs/dbraw/zinc/57/63/83/1066576383.db2.gz CGOUJNBCFTWCKW-JOCHJYFZSA-N 0 0 486.638 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001445484520 1066576348 /nfs/dbraw/zinc/57/63/48/1066576348.db2.gz ATTTYSSJMWGKBZ-QFIPXVFZSA-N 0 0 456.505 4.623 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)o1 ZINC001361236034 1066576838 /nfs/dbraw/zinc/57/68/38/1066576838.db2.gz CNGNWNJYAPCPHJ-LJQANCHMSA-N 0 0 486.414 4.819 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1nccn1CCc1ccccc1)OCc1ccccc1 ZINC001445486987 1066576882 /nfs/dbraw/zinc/57/68/82/1066576882.db2.gz BSPVANZUBBARIJ-UHFFFAOYSA-N 0 0 454.530 4.805 20 0 JJADRN CC[C@@H](NC(=O)COc1cc(C)on1)c1ccccc1OCc1ccccc1Br ZINC001456394359 1066577062 /nfs/dbraw/zinc/57/70/62/1066577062.db2.gz ROGJIHGZMXIXIH-LJQANCHMSA-N 0 0 459.340 4.971 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Br)c1ccccc1 ZINC001456394261 1066577176 /nfs/dbraw/zinc/57/71/76/1066577176.db2.gz XGAAROVBFFFVEP-FQEVSTJZSA-N 0 0 455.327 4.592 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)o1 ZINC001361236775 1066577250 /nfs/dbraw/zinc/57/72/50/1066577250.db2.gz KRLQOIXOPOTBHZ-WOJBJXKFSA-N 0 0 473.618 4.876 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001361236878 1066577261 /nfs/dbraw/zinc/57/72/61/1066577261.db2.gz LFUBRMIMXYTHPP-DNQXCXABSA-N 0 0 483.657 4.804 20 0 JJADRN CC(C)(CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccc(F)cc1Cl ZINC001456395779 1066577613 /nfs/dbraw/zinc/57/76/13/1066577613.db2.gz PRTIICMLJGLRCN-UHFFFAOYSA-N 0 0 454.885 4.576 20 0 JJADRN C[C@H]1CN(C(=O)c2cccnc2SCc2ccc(F)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456394586 1066577626 /nfs/dbraw/zinc/57/76/26/1066577626.db2.gz GZIUMZVJTPTOAM-IRXDYDNUSA-N 0 0 459.587 4.983 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)no1 ZINC001361236936 1066577757 /nfs/dbraw/zinc/57/77/57/1066577757.db2.gz IFQZSLDNWOKBAF-SUMWQHHRSA-N 0 0 451.354 4.607 20 0 JJADRN Cc1cccc(C(=O)NCc2csc(CCc3ccccc3)n2)c1NC(=O)c1ccncc1 ZINC001445491439 1066577737 /nfs/dbraw/zinc/57/77/37/1066577737.db2.gz UFVWSAGALUJCSN-UHFFFAOYSA-N 0 0 456.571 4.814 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361237629 1066578033 /nfs/dbraw/zinc/57/80/33/1066578033.db2.gz QPZFUVRMPVSUMH-CLOONOSVSA-N 0 0 485.654 4.700 20 0 JJADRN COc1ccc(CC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c(Cl)c1OC ZINC001456395947 1066578120 /nfs/dbraw/zinc/57/81/20/1066578120.db2.gz XVLWMGKSEHZYSO-UHFFFAOYSA-N 0 0 459.951 4.512 20 0 JJADRN Cc1cc2cc(C(=O)N3C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)oc2c(Br)c1 ZINC001456396576 1066578236 /nfs/dbraw/zinc/57/82/36/1066578236.db2.gz IOJQRROHXDQWBF-KBPBESRZSA-N 0 0 451.361 4.974 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC001445502032 1066578368 /nfs/dbraw/zinc/57/83/68/1066578368.db2.gz JFGYCEOSVSGMCF-ICSRJNTNSA-N 0 0 458.400 4.838 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC001361237999 1066578643 /nfs/dbraw/zinc/57/86/43/1066578643.db2.gz RYUGWIWOSKWQDU-CAOCKLPOSA-N 0 0 481.685 4.866 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)(C)C)o1 ZINC001361238087 1066578727 /nfs/dbraw/zinc/57/87/27/1066578727.db2.gz UMLULZPOVFSASL-IBGZPJMESA-N 0 0 487.551 4.952 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)cs2)cc1 ZINC001545975893 1066578604 /nfs/dbraw/zinc/57/86/04/1066578604.db2.gz BJJIPVBFWWKUOR-NRFANRHFSA-N 0 0 452.551 4.976 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CCC[C@H](CNC(=O)c4ccccc4)C3)cc2c1Br ZINC001445506654 1066578700 /nfs/dbraw/zinc/57/87/00/1066578700.db2.gz NRKYYFASDLHYDG-MRXNPFEDSA-N 0 0 454.368 4.521 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@@H](CNC(=O)c4ccccc4)C3)cc21 ZINC001445508939 1066578833 /nfs/dbraw/zinc/57/88/33/1066578833.db2.gz RJSCTZCYKVWAAI-INIZCTEOSA-N 0 0 454.368 4.521 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCC(C)(C)c2ccc(F)cc2Cl)c1-c1ccc(F)cc1 ZINC001456398383 1066578836 /nfs/dbraw/zinc/57/88/36/1066578836.db2.gz VAZNHYSJCQSZNA-UHFFFAOYSA-N 0 0 450.938 4.911 20 0 JJADRN C[C@H]1CCCC[C@H]1CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001456399212 1066578873 /nfs/dbraw/zinc/57/88/73/1066578873.db2.gz MMSDKMRXYNPING-IRXDYDNUSA-N 0 0 456.446 4.868 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)c1 ZINC001445513081 1066579308 /nfs/dbraw/zinc/57/93/08/1066579308.db2.gz HWLYKQPKHCCAGL-DEOSSOPVSA-N 0 0 450.579 4.837 20 0 JJADRN CC[C@H](NC(=O)c1cnn(C)c1OC)c1ccccc1OCc1ccccc1Br ZINC001456408132 1066579695 /nfs/dbraw/zinc/57/96/95/1066579695.db2.gz YFJXHGWZCIGXGW-IBGZPJMESA-N 0 0 458.356 4.651 20 0 JJADRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001456406631 1066579755 /nfs/dbraw/zinc/57/97/55/1066579755.db2.gz APPBDIKAFNENEO-MRXNPFEDSA-N 0 0 457.452 4.969 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001361238742 1066579732 /nfs/dbraw/zinc/57/97/32/1066579732.db2.gz XRLCPYZJOSWSDO-SIKLNZKXSA-N 0 0 477.613 4.546 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2Br)no1 ZINC001361238780 1066579764 /nfs/dbraw/zinc/57/97/64/1066579764.db2.gz ZJHKFYWJTCVEEJ-QGZVFWFLSA-N 0 0 458.360 4.568 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)nnc2-c2ccco2)cc1 ZINC001456409766 1066580355 /nfs/dbraw/zinc/58/03/55/1066580355.db2.gz HJPNZOGQPTUUOH-SQGPQFPESA-N 0 0 454.596 4.959 20 0 JJADRN CCCOc1cc(C)ccc1CNC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001445521382 1066580516 /nfs/dbraw/zinc/58/05/16/1066580516.db2.gz XEAWMCRROLKKOK-UHFFFAOYSA-N 0 0 457.571 4.816 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)=NN1c1ccccc1 ZINC001361238995 1066580733 /nfs/dbraw/zinc/58/07/33/1066580733.db2.gz UFYAYTZIVDLCPK-NFQMXDRXSA-N 0 0 455.558 4.975 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)C1 ZINC001456413581 1066580773 /nfs/dbraw/zinc/58/07/73/1066580773.db2.gz NEXGBTTUAIMRPB-INIZCTEOSA-N 0 0 453.974 4.899 20 0 JJADRN COc1c(F)ccc(F)c1C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001456410629 1066580823 /nfs/dbraw/zinc/58/08/23/1066580823.db2.gz LZDXFBSPWOUTHN-UHFFFAOYSA-N 0 0 453.232 4.575 20 0 JJADRN COc1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1NC(=O)C1CCCCC1 ZINC001456410542 1066580836 /nfs/dbraw/zinc/58/08/36/1066580836.db2.gz LNFXECLMGZISJJ-HXUWFJFHSA-N 0 0 459.587 4.798 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001445522398 1066580845 /nfs/dbraw/zinc/58/08/45/1066580845.db2.gz GPPJTKBTGKWKCN-RTWAWAEBSA-N 0 0 456.970 4.534 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N(C)CCn2cccn2)cc1 ZINC001361239273 1066581189 /nfs/dbraw/zinc/58/11/89/1066581189.db2.gz ARIFLARPYQIYED-VWNXMTODSA-N 0 0 450.631 4.676 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N(C)CCn2cccn2)cc1 ZINC001361239271 1066581250 /nfs/dbraw/zinc/58/12/50/1066581250.db2.gz ARIFLARPYQIYED-LADGPHEKSA-N 0 0 450.631 4.676 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001445523937 1066581409 /nfs/dbraw/zinc/58/14/09/1066581409.db2.gz CZCZYYPCSOEFKE-DBXWQHBBSA-N 0 0 475.630 4.782 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001361239511 1066581418 /nfs/dbraw/zinc/58/14/18/1066581418.db2.gz HMNYAEVZSOWZAK-CWDLOFLHSA-N 0 0 481.685 4.646 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(CC3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 ZINC001361239644 1066581714 /nfs/dbraw/zinc/58/17/14/1066581714.db2.gz IISRHEWOKOROTK-ZEQKJWHPSA-N 0 0 481.685 4.838 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)F)cc1 ZINC001361240103 1066581819 /nfs/dbraw/zinc/58/18/19/1066581819.db2.gz NFORXIQCNVQRQJ-YKSBVNFPSA-N 0 0 455.553 4.832 20 0 JJADRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001445525614 1066582125 /nfs/dbraw/zinc/58/21/25/1066582125.db2.gz LZBXCAOWMMNGNI-HXUWFJFHSA-N 0 0 457.361 4.647 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001456423653 1066582114 /nfs/dbraw/zinc/58/21/14/1066582114.db2.gz APAUWEHUAGSTMM-UHFFFAOYSA-N 0 0 458.921 4.919 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)cs2)cc1 ZINC001456418088 1066582137 /nfs/dbraw/zinc/58/21/37/1066582137.db2.gz LMELWDBCYAFQHW-UHFFFAOYSA-N 0 0 456.999 4.604 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)C(C)(C)Cc3ccc(Br)c(C)c3)C2=O)cc1 ZINC001361240259 1066582141 /nfs/dbraw/zinc/58/21/41/1066582141.db2.gz KGMZHOAOPXZCGC-OAQYLSRUSA-N 0 0 457.412 4.946 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(N(C)CC(C)C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361240600 1066582233 /nfs/dbraw/zinc/58/22/33/1066582233.db2.gz VBTFQJKJQQUBAO-DXBVXKBHSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361240625 1066582264 /nfs/dbraw/zinc/58/22/64/1066582264.db2.gz VWPYUFOWWLPLHL-HJOGWXRNSA-N 0 0 470.658 4.900 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456426325 1066582520 /nfs/dbraw/zinc/58/25/20/1066582520.db2.gz FBLJUCSXGOIJBC-APYJYERMSA-N 0 0 452.620 4.759 20 0 JJADRN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001445526753 1066582572 /nfs/dbraw/zinc/58/25/72/1066582572.db2.gz MRRODZSMOKQDHJ-VDKIKQQVSA-N 0 0 459.055 4.922 20 0 JJADRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F ZINC001445528279 1066583038 /nfs/dbraw/zinc/58/30/38/1066583038.db2.gz ORQHRGXIQUWZNB-OAQYLSRUSA-N 0 0 456.493 4.579 20 0 JJADRN C[C@H](Cc1ccco1)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001456426824 1066582986 /nfs/dbraw/zinc/58/29/86/1066582986.db2.gz WXUAQRWGZWUTIY-LJQANCHMSA-N 0 0 454.567 4.649 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)cc1 ZINC001456426819 1066583100 /nfs/dbraw/zinc/58/31/00/1066583100.db2.gz FPIVNPYLLBUJQC-UHFFFAOYSA-N 0 0 450.445 4.612 20 0 JJADRN Cc1noc(C2(C)CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(C)cc3C)CC2)n1 ZINC001361242614 1066584019 /nfs/dbraw/zinc/58/40/19/1066584019.db2.gz BROTVTSWUKYYSR-UHFFFAOYSA-N 0 0 450.631 4.976 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCOC2)cc1 ZINC001361242584 1066584145 /nfs/dbraw/zinc/58/41/45/1066584145.db2.gz AUYKTIRMGUMPNH-RPWUZVMVSA-N 0 0 497.684 4.807 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)c(C)c1 ZINC001361242591 1066584171 /nfs/dbraw/zinc/58/41/71/1066584171.db2.gz BBFWINGZVVUKGE-UHFFFAOYSA-N 0 0 465.686 4.955 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cnn1-c1ccncc1 ZINC001445536408 1066584439 /nfs/dbraw/zinc/58/44/39/1066584439.db2.gz OLTUMHONBJHHGO-UHFFFAOYSA-N 0 0 457.719 4.634 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)cn2)c1C ZINC001456433188 1066584259 /nfs/dbraw/zinc/58/42/59/1066584259.db2.gz UABYTSIKNWVKMP-HXUWFJFHSA-N 0 0 455.555 4.845 20 0 JJADRN Cc1ccc(CCn2c(C3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C)c1 ZINC001361243039 1066584607 /nfs/dbraw/zinc/58/46/07/1066584607.db2.gz HYTIYPWXACNAGE-HSZRJFAPSA-N 0 0 451.659 4.926 20 0 JJADRN O=C(c1cc(N2CCCC2=O)ccc1Cl)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001445538535 1066584742 /nfs/dbraw/zinc/58/47/42/1066584742.db2.gz SZSDDFWDJXWKKB-OAQYLSRUSA-N 0 0 454.979 4.904 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001545976404 1066584854 /nfs/dbraw/zinc/58/48/54/1066584854.db2.gz NKIRFQNCYBLVKS-GOSISDBHSA-N 0 0 452.404 4.900 20 0 JJADRN CC/C(=C\C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1ccc(OC)cc1 ZINC001456434280 1066584960 /nfs/dbraw/zinc/58/49/60/1066584960.db2.gz IPZBIRBLMKDNSL-HTXNQAPBSA-N 0 0 458.599 4.554 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)ccc1Br ZINC001456434566 1066585010 /nfs/dbraw/zinc/58/50/10/1066585010.db2.gz XWYPRMJGDILDIA-UHFFFAOYSA-N 0 0 457.368 4.927 20 0 JJADRN Cc1cc(-c2csc(NC(=O)[C@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n2)ccc1F ZINC001445538232 1066585294 /nfs/dbraw/zinc/58/52/94/1066585294.db2.gz KTHQHZXUPLZWHT-SFHVURJKSA-N 0 0 459.547 4.538 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2=O)cc1F ZINC001456436304 1066585325 /nfs/dbraw/zinc/58/53/25/1066585325.db2.gz RMXBVRJJLQQTNY-GTJUCTONSA-N 0 0 456.583 4.707 20 0 JJADRN C[C@@H](CC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456436786 1066585352 /nfs/dbraw/zinc/58/53/52/1066585352.db2.gz WEYSPUYMTLTCKF-IXQXIYAPSA-N 0 0 455.599 4.726 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)C2)cc1 ZINC001361243766 1066585698 /nfs/dbraw/zinc/58/56/98/1066585698.db2.gz UDQRGOMQDLOQMF-UNMCSNQZSA-N 0 0 453.631 4.790 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@H]3C[C@@H]3C)ccc2[nH]1 ZINC001445541494 1066585768 /nfs/dbraw/zinc/58/57/68/1066585768.db2.gz OUMWWYJFCBRLIZ-GOEBONIOSA-N 0 0 450.539 4.770 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001456438026 1066585815 /nfs/dbraw/zinc/58/58/15/1066585815.db2.gz GMYOSKBAQUJWAW-UHFFFAOYSA-N 0 0 452.960 4.580 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cccc(C[S@](=O)c4ccccc4)c3)CCC2=O)c1 ZINC001456437123 1066585828 /nfs/dbraw/zinc/58/58/28/1066585828.db2.gz CWJAXSZZQJONRQ-XIFFEERXSA-N 0 0 459.571 4.733 20 0 JJADRN CCCCc1nc2cc(NC(=O)CSc3nnc(C)n3-c3cccc(OC)c3)ccc2[nH]1 ZINC001445545122 1066586261 /nfs/dbraw/zinc/58/62/61/1066586261.db2.gz UZKYYPSOOTVFRA-UHFFFAOYSA-N 0 0 450.568 4.534 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001445544821 1066586309 /nfs/dbraw/zinc/58/63/09/1066586309.db2.gz RTGIOJAOOAPKNU-FQEVSTJZSA-N 0 0 452.967 4.667 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)c2)no1 ZINC001456438986 1066586530 /nfs/dbraw/zinc/58/65/30/1066586530.db2.gz ZMJZCDVZNRMPAY-JGCGQSQUSA-N 0 0 453.564 4.791 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)c2)no1 ZINC001456438988 1066586558 /nfs/dbraw/zinc/58/65/58/1066586558.db2.gz ZMJZCDVZNRMPAY-YTTGMZPUSA-N 0 0 453.564 4.791 20 0 JJADRN Cc1ccc(CCn2c(N(C)[C@@H](C)c3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245082 1066586601 /nfs/dbraw/zinc/58/66/01/1066586601.db2.gz DEPVZGJGARSNRD-HFZDXXHNSA-N 0 0 452.599 4.969 20 0 JJADRN Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)c1 ZINC001361245021 1066586633 /nfs/dbraw/zinc/58/66/33/1066586633.db2.gz BHBMFLQLGCPSPY-XMMPIXPASA-N 0 0 465.686 4.859 20 0 JJADRN Cc1ccc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)cc1 ZINC001361245113 1066586658 /nfs/dbraw/zinc/58/66/58/1066586658.db2.gz FFZZARJIFYCTBB-OYRHEFFESA-N 0 0 453.631 4.979 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)c1 ZINC001445547544 1066586907 /nfs/dbraw/zinc/58/69/07/1066586907.db2.gz ZOZPWOWCTIBKAX-UHFFFAOYSA-N 0 0 459.502 4.941 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001445561219 1066587251 /nfs/dbraw/zinc/58/72/51/1066587251.db2.gz AZMPDBYVICXXNR-FQEVSTJZSA-N 0 0 459.562 4.646 20 0 JJADRN Cn1cc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc(Br)c1=O ZINC001445561048 1066587286 /nfs/dbraw/zinc/58/72/86/1066587286.db2.gz HGLVAPWOGLUCBT-UHFFFAOYSA-N 0 0 458.259 4.542 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC001545976592 1066587325 /nfs/dbraw/zinc/58/73/25/1066587325.db2.gz SGLOHXLLWWGSPT-GOSISDBHSA-N 0 0 459.930 4.885 20 0 JJADRN Cc1ccc(CCn2c(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c(C)c1 ZINC001361245627 1066587523 /nfs/dbraw/zinc/58/75/23/1066587523.db2.gz RCZPVQKYUPLRAS-FNZWTVRRSA-N 0 0 453.631 4.539 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCCCO)cc1 ZINC001361245466 1066587541 /nfs/dbraw/zinc/58/75/41/1066587541.db2.gz PNIMASWGZAPDJA-QFIPXVFZSA-N 0 0 471.646 4.500 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CCOCC2)c(C)c1 ZINC001361245896 1066587876 /nfs/dbraw/zinc/58/78/76/1066587876.db2.gz UYXNKKFTUCVXTB-DNQXCXABSA-N 0 0 454.659 4.919 20 0 JJADRN Cn1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc(Br)c1=O ZINC001445564940 1066588302 /nfs/dbraw/zinc/58/83/02/1066588302.db2.gz UJYJECDQAGAHQE-UHFFFAOYSA-N 0 0 450.292 4.722 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456445996 1066588371 /nfs/dbraw/zinc/58/83/71/1066588371.db2.gz RQRISNXZTYBHAR-JWQCQUIFSA-N 0 0 459.565 4.781 20 0 JJADRN Cn1cc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc(Br)c1=O ZINC001445564225 1066588580 /nfs/dbraw/zinc/58/85/80/1066588580.db2.gz RNAXMWOIDHNWMU-UHFFFAOYSA-N 0 0 457.202 4.559 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C(F)(F)F)s1 ZINC001361246804 1066588967 /nfs/dbraw/zinc/58/89/67/1066588967.db2.gz DJAKYWMUYDSHEY-UHFFFAOYSA-N 0 0 469.558 4.649 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCOC2)s1 ZINC001361246807 1066589010 /nfs/dbraw/zinc/58/90/10/1066589010.db2.gz DMRJOSZXUWBSTI-IBGZPJMESA-N 0 0 453.612 4.580 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@H](C)C[C@H](O)c3ccccc3)cc2Br)no1 ZINC001445571492 1066588954 /nfs/dbraw/zinc/58/89/54/1066588954.db2.gz FAARHBLFKIGVPK-VLIAUNLRSA-N 0 0 459.340 4.567 20 0 JJADRN COc1cc(C(=O)NCCC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC001445571149 1066589202 /nfs/dbraw/zinc/58/92/02/1066589202.db2.gz GTPAKVSAVLQKRU-UHFFFAOYSA-N 0 0 453.922 4.791 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nccs2)s1 ZINC001361247119 1066589365 /nfs/dbraw/zinc/58/93/65/1066589365.db2.gz QAYQQAWHXGCLGY-UHFFFAOYSA-N 0 0 487.054 4.567 20 0 JJADRN O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1 ZINC001445574661 1066589446 /nfs/dbraw/zinc/58/94/46/1066589446.db2.gz IVXRWEKKSDRZKB-KRWDZBQOSA-N 0 0 459.420 4.959 20 0 JJADRN O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1 ZINC001445574676 1066589594 /nfs/dbraw/zinc/58/95/94/1066589594.db2.gz IVXRWEKKSDRZKB-QGZVFWFLSA-N 0 0 459.420 4.959 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)ccc1Cl ZINC001456449739 1066589960 /nfs/dbraw/zinc/58/99/60/1066589960.db2.gz WRAGMMZJANFOQD-OAHLLOKOSA-N 0 0 450.892 4.869 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001361247871 1066590430 /nfs/dbraw/zinc/59/04/30/1066590430.db2.gz NFORQRJJGDGVQP-HNNXBMFYSA-N 0 0 453.381 4.839 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCSC2)s1 ZINC001361248136 1066591289 /nfs/dbraw/zinc/59/12/89/1066591289.db2.gz HGIJAFBNVPBFFW-YADARESESA-N 0 0 472.680 4.909 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586353 1066591561 /nfs/dbraw/zinc/59/15/61/1066591561.db2.gz UPOBEYSPDYSHHM-DHIUTWEWSA-N 0 0 456.608 4.524 20 0 JJADRN Cc1ccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1I ZINC001445586088 1066591648 /nfs/dbraw/zinc/59/16/48/1066591648.db2.gz LAEJMOHXHGZMLU-MRXNPFEDSA-N 0 0 451.304 4.850 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC001445588837 1066592090 /nfs/dbraw/zinc/59/20/90/1066592090.db2.gz XUMGGKJYOZXWKU-UHFFFAOYSA-N 0 0 450.336 4.561 20 0 JJADRN CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1 ZINC001456464485 1066592181 /nfs/dbraw/zinc/59/21/81/1066592181.db2.gz LTDGLZYFUBASEQ-UHFFFAOYSA-N 0 0 456.589 4.554 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc(CSCc3ccccc3)c2)cc1 ZINC001456462818 1066592213 /nfs/dbraw/zinc/59/22/13/1066592213.db2.gz JWHCAERKTHAJME-UHFFFAOYSA-N 0 0 454.617 4.552 20 0 JJADRN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590222 1066592703 /nfs/dbraw/zinc/59/27/03/1066592703.db2.gz IRQILRHZZOIGFV-YKSBVNFPSA-N 0 0 454.574 4.952 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1cccc(OC(C)(C)C)c1 ZINC001456465874 1066592826 /nfs/dbraw/zinc/59/28/26/1066592826.db2.gz HORATTACFVEYSS-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CCO1 ZINC001546082669 1066592904 /nfs/dbraw/zinc/59/29/04/1066592904.db2.gz AXLSYOIJOSRRAQ-KBMIEXCESA-N 0 0 460.594 4.769 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)CCc1cc(Cl)ccc1Br)C(F)(F)F ZINC001361249490 1066593089 /nfs/dbraw/zinc/59/30/89/1066593089.db2.gz RJXWFDVGWZGJNH-INIZCTEOSA-N 0 0 452.702 4.805 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546082682 1066593160 /nfs/dbraw/zinc/59/31/60/1066593160.db2.gz BCTUPWRLBYDYEN-XHCCPWGMSA-N 0 0 494.640 4.720 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCCCCO)CCO1 ZINC001546082712 1066593165 /nfs/dbraw/zinc/59/31/65/1066593165.db2.gz BLCAFWWRQYACDY-VWLOTQADSA-N 0 0 469.655 4.935 20 0 JJADRN CN(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2ccccc2n1 ZINC001456467883 1066593221 /nfs/dbraw/zinc/59/32/21/1066593221.db2.gz ZEPXZZWLVKKACI-UHFFFAOYSA-N 0 0 454.933 4.584 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCC2 ZINC001445593472 1066593339 /nfs/dbraw/zinc/59/33/39/1066593339.db2.gz KWXJGMMWDVBOBT-LUKWVAJMSA-N 0 0 456.627 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](CCCCc2ccccc2)c2ccccc2)COC1 ZINC001445591087 1066593372 /nfs/dbraw/zinc/59/33/72/1066593372.db2.gz KGEGBIPZJKRLJJ-HSZRJFAPSA-N 0 0 452.595 4.941 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)n2c1 ZINC001456474189 1066593604 /nfs/dbraw/zinc/59/36/04/1066593604.db2.gz HMAOYIHHBVZREM-UHFFFAOYSA-N 0 0 454.546 4.712 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NC(C)C)s1 ZINC001361249728 1066593545 /nfs/dbraw/zinc/59/35/45/1066593545.db2.gz CRXZCBRBYHBPIY-UHFFFAOYSA-N 0 0 476.444 4.547 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccc(F)cc1F ZINC001445599564 1066593710 /nfs/dbraw/zinc/59/37/10/1066593710.db2.gz HJATYBSGQOISCM-VQTJNVASSA-N 0 0 451.311 4.658 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)CC(F)(F)F)s1 ZINC001361249774 1066594035 /nfs/dbraw/zinc/59/40/35/1066594035.db2.gz FAYOUXSTIUXCHI-UHFFFAOYSA-N 0 0 491.381 4.536 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCSCC(F)(F)F)o1 ZINC001361249808 1066594126 /nfs/dbraw/zinc/59/41/26/1066594126.db2.gz GHIDRQHLVMCTBT-UHFFFAOYSA-N 0 0 478.338 4.869 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccn(-c2cccc(Br)c2)n1 ZINC001456480969 1066594522 /nfs/dbraw/zinc/59/45/22/1066594522.db2.gz SRGQLZSWBUGACU-JOCHJYFZSA-N 0 0 454.368 4.849 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC001456482507 1066595132 /nfs/dbraw/zinc/59/51/32/1066595132.db2.gz APCAKOUFOKQTDP-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545977097 1066595341 /nfs/dbraw/zinc/59/53/41/1066595341.db2.gz FDQMYNKXRXPKIH-IFMALSPDSA-N 0 0 477.613 4.688 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456483497 1066595292 /nfs/dbraw/zinc/59/52/92/1066595292.db2.gz BMSNLWDFGURIAZ-HSQYWUDLSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001456481909 1066595339 /nfs/dbraw/zinc/59/53/39/1066595339.db2.gz VONABHZRHXJVLC-WMLDXEAASA-N 0 0 455.530 4.935 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545977165 1066595833 /nfs/dbraw/zinc/59/58/33/1066595833.db2.gz GBZHKOGFEYLIDF-GOSISDBHSA-N 0 0 485.386 4.548 20 0 JJADRN Cc1cccc(CC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1Br ZINC001456484719 1066595899 /nfs/dbraw/zinc/59/58/99/1066595899.db2.gz DZCHTHZGQDCOFJ-UHFFFAOYSA-N 0 0 454.286 4.839 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC001456484810 1066596367 /nfs/dbraw/zinc/59/63/67/1066596367.db2.gz FXNZGDVZRVPMRM-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)s1 ZINC001361250269 1066596715 /nfs/dbraw/zinc/59/67/15/1066596715.db2.gz UKFMNLMTFGCUTF-UHFFFAOYSA-N 0 0 465.044 4.572 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)N2CCOCC2)s1 ZINC001361250329 1066596819 /nfs/dbraw/zinc/59/68/19/1066596819.db2.gz VXJRQYBVRSLHHP-UHFFFAOYSA-N 0 0 491.608 4.664 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1c[nH]nc1-c1ccccc1F ZINC001445638483 1066596893 /nfs/dbraw/zinc/59/68/93/1066596893.db2.gz JHCFLQHCYVAIFM-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CC1=O ZINC001361250722 1066597404 /nfs/dbraw/zinc/59/74/04/1066597404.db2.gz OCXREMFAEABOIM-UYAOXDASSA-N 0 0 456.546 4.839 20 0 JJADRN CCCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639273 1066597223 /nfs/dbraw/zinc/59/72/23/1066597223.db2.gz ROTJHSKDPYBURH-UHFFFAOYSA-N 0 0 451.011 4.587 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001456488543 1066597238 /nfs/dbraw/zinc/59/72/38/1066597238.db2.gz MXVZZZZXSWJXLG-SFHVURJKSA-N 0 0 454.983 4.883 20 0 JJADRN CCc1ccc(-n2nc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c3c2CCC3)cc1 ZINC001456489295 1066597398 /nfs/dbraw/zinc/59/73/98/1066597398.db2.gz JTLICIXUBZUYAE-SANMLTNESA-N 0 0 454.615 4.593 20 0 JJADRN CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)c1ccc(Cl)cc1 ZINC001456491387 1066597522 /nfs/dbraw/zinc/59/75/22/1066597522.db2.gz RXHNWJPWHFIWQU-IBGZPJMESA-N 0 0 450.988 4.656 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC001361250912 1066597788 /nfs/dbraw/zinc/59/77/88/1066597788.db2.gz DQGAPMKVXDNQJR-UHFFFAOYSA-N 0 0 492.889 4.916 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)=C(Br)C1)Oc1cccc(F)c1 ZINC001545977374 1066597887 /nfs/dbraw/zinc/59/78/87/1066597887.db2.gz KIFPSUDAKWKFJG-SFHVURJKSA-N 0 0 489.393 4.554 20 0 JJADRN O=C(/C(=C\c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC001445649766 1066597939 /nfs/dbraw/zinc/59/79/39/1066597939.db2.gz XWVDLRJVVWAVKV-SILNSSARSA-N 0 0 452.963 4.632 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2(S(C)(=O)=O)CCC2)s1 ZINC001361251111 1066598370 /nfs/dbraw/zinc/59/83/70/1066598370.db2.gz ICKYWAVAJBWGLU-UHFFFAOYSA-N 0 0 483.034 4.711 20 0 JJADRN Cc1ccc(C(=O)NCC(C)(C)CCCc2ccccc2)cc1S(=O)(=O)NC1CCCC1 ZINC001456492599 1066598290 /nfs/dbraw/zinc/59/82/90/1066598290.db2.gz MIVJLWSJYUHDSI-UHFFFAOYSA-N 0 0 456.652 4.995 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001492598178 1066598434 /nfs/dbraw/zinc/59/84/34/1066598434.db2.gz KIVCUDFGSKPFSU-LADGPHEKSA-N 0 0 497.684 4.569 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1ccc(Br)cc1Cl)C(=O)OCc1ccccc1 ZINC001456493634 1066598988 /nfs/dbraw/zinc/59/89/88/1066598988.db2.gz NROSHGDDDJYKOE-IBGZPJMESA-N 0 0 452.776 4.919 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977496 1066598905 /nfs/dbraw/zinc/59/89/05/1066598905.db2.gz MQUFPAHWESETDD-SFHLNBCPSA-N 0 0 479.629 4.526 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001445657837 1066598948 /nfs/dbraw/zinc/59/89/48/1066598948.db2.gz UGCIQPZJHHBFQO-UHFFFAOYSA-N 0 0 459.546 4.631 20 0 JJADRN CC(C)Oc1cccc([C@@H](O)CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)c1 ZINC001445666225 1066599450 /nfs/dbraw/zinc/59/94/50/1066599450.db2.gz HEETVVADECHUNT-QFIPXVFZSA-N 0 0 451.567 4.939 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc4cccnc43)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361251566 1066599427 /nfs/dbraw/zinc/59/94/27/1066599427.db2.gz XDMQDDWCGQAJHK-UHFFFAOYSA-N 0 0 476.581 4.898 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC(F)(F)CO2)o1 ZINC001361251539 1066599441 /nfs/dbraw/zinc/59/94/41/1066599441.db2.gz WDJUSKPBCKGJQA-HNNXBMFYSA-N 0 0 485.304 4.809 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)s2)cc1 ZINC001456496040 1066599456 /nfs/dbraw/zinc/59/94/56/1066599456.db2.gz BKLXTTDPORJZOZ-GJZGRUSLSA-N 0 0 458.605 4.512 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1OC ZINC001361252020 1066599874 /nfs/dbraw/zinc/59/98/74/1066599874.db2.gz CEGJCWSMGOKMJC-HNNXBMFYSA-N 0 0 457.368 4.833 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001445671636 1066599851 /nfs/dbraw/zinc/59/98/51/1066599851.db2.gz OGCAOEKWXVIVKG-NMNUPHIUSA-N 0 0 456.583 4.526 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456497711 1066600254 /nfs/dbraw/zinc/60/02/54/1066600254.db2.gz XNZDCBYFHKUVSZ-CQSZACIVSA-N 0 0 456.315 4.655 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cccnc3OCC(F)(F)F)s2)cc1 ZINC001456497240 1066600348 /nfs/dbraw/zinc/60/03/48/1066600348.db2.gz DJNYXIPCJCNMAK-LBPRGKRZSA-N 0 0 451.470 4.954 20 0 JJADRN COc1cc(I)c(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1OC ZINC001456497228 1066600405 /nfs/dbraw/zinc/60/04/05/1066600405.db2.gz CZTKQADXKFVCOT-KRWDZBQOSA-N 0 0 451.304 4.580 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1C ZINC001445675909 1066600446 /nfs/dbraw/zinc/60/04/46/1066600446.db2.gz XCCGOIZIECIEIV-LJQANCHMSA-N 0 0 450.391 4.738 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001361252879 1066600457 /nfs/dbraw/zinc/60/04/57/1066600457.db2.gz SFMXBKKVSYQPOP-IBGZPJMESA-N 0 0 468.627 4.746 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)nnn1-c1ccccc1Br ZINC001361252693 1066600493 /nfs/dbraw/zinc/60/04/93/1066600493.db2.gz JTNTXLFGGCCYHA-NSHDSACASA-N 0 0 453.262 4.848 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C)Oc2ccccc2)c(OC)c1 ZINC001456498653 1066601025 /nfs/dbraw/zinc/60/10/25/1066601025.db2.gz VBYONYUTMXBNNV-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1ccccc1F ZINC001545977921 1066601100 /nfs/dbraw/zinc/60/11/00/1066601100.db2.gz UPRGLIGHYUNMCJ-MOPGFXCFSA-N 0 0 468.577 4.516 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001361253094 1066601156 /nfs/dbraw/zinc/60/11/56/1066601156.db2.gz XPRXGGBRAIXGRG-INIZCTEOSA-N 0 0 456.616 4.602 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001445679630 1066601819 /nfs/dbraw/zinc/60/18/19/1066601819.db2.gz CCXMSITUDCDFTA-FQEVSTJZSA-N 0 0 455.006 4.605 20 0 JJADRN COc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1 ZINC001361253969 1066601812 /nfs/dbraw/zinc/60/18/12/1066601812.db2.gz LHVYCZNMSYNTDH-OAQYLSRUSA-N 0 0 452.473 4.655 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1Cl ZINC001361253978 1066601826 /nfs/dbraw/zinc/60/18/26/1066601826.db2.gz LVPQICIRIBUJPK-INIZCTEOSA-N 0 0 452.904 4.801 20 0 JJADRN COC1CCN(c2ccc(NC(=O)c3ccc(NC(C)=O)c(F)c3)cc2C(F)(F)F)CC1 ZINC001361254500 1066602440 /nfs/dbraw/zinc/60/24/40/1066602440.db2.gz XBBCVPNABGCVDH-UHFFFAOYSA-N 0 0 453.436 4.670 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001445681502 1066602500 /nfs/dbraw/zinc/60/25/00/1066602500.db2.gz UMZDYEYCZIVHNE-LBPRGKRZSA-N 0 0 452.418 4.611 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(N4CCOC4=O)ccc3F)s2)cc1 ZINC001456501849 1066602905 /nfs/dbraw/zinc/60/29/05/1066602905.db2.gz ZGWDSUGSJQEAHM-CYBMUJFWSA-N 0 0 455.511 4.714 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC001456502358 1066602944 /nfs/dbraw/zinc/60/29/44/1066602944.db2.gz GFKJLGKTPMNEHS-RUZDIDTESA-N 0 0 458.537 4.805 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)s1 ZINC001361255031 1066602868 /nfs/dbraw/zinc/60/28/68/1066602868.db2.gz GBVVFSFFMRJLSF-OAQYLSRUSA-N 0 0 483.638 4.641 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2[nH]c(-c3cccc(C)c3)nc2C)CC1 ZINC001445685594 1066602930 /nfs/dbraw/zinc/60/29/30/1066602930.db2.gz NOWHBGHHAQQTTJ-UHFFFAOYSA-N 0 0 450.608 4.912 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445686552 1066602991 /nfs/dbraw/zinc/60/29/91/1066602991.db2.gz KTZHOSRHMQYEMG-IQGLISFBSA-N 0 0 451.950 4.978 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)s1 ZINC001361255285 1066602998 /nfs/dbraw/zinc/60/29/98/1066602998.db2.gz UFHFSLRVNBYIDE-MRXNPFEDSA-N 0 0 466.533 4.578 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC001361255053 1066603009 /nfs/dbraw/zinc/60/30/09/1066603009.db2.gz GMUIBBXRMVSHTR-HXUWFJFHSA-N 0 0 478.515 4.837 20 0 JJADRN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001456502269 1066603091 /nfs/dbraw/zinc/60/30/91/1066603091.db2.gz UJISICVBAFIMKQ-DEOSSOPVSA-N 0 0 453.579 4.747 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)C2)cc(OC)c1 ZINC001445686934 1066603739 /nfs/dbraw/zinc/60/37/39/1066603739.db2.gz HYUYIAADROHQOZ-SFHVURJKSA-N 0 0 454.958 4.568 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCCO)s1 ZINC001361255741 1066603795 /nfs/dbraw/zinc/60/37/95/1066603795.db2.gz OYFYVEOZYPGOAI-HXUWFJFHSA-N 0 0 491.702 4.952 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)[C@H](C)CO1 ZINC001456503478 1066603831 /nfs/dbraw/zinc/60/38/31/1066603831.db2.gz IRSUGBLOEGPZCW-QPPBQGQZSA-N 0 0 450.579 4.770 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)Nc2cccc(Cl)c2C)s1 ZINC001361255687 1066603871 /nfs/dbraw/zinc/60/38/71/1066603871.db2.gz NOXIEKDSDDMPGV-QGZVFWFLSA-N 0 0 474.030 4.779 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2cccc(N3CCOCC3)c2)s1 ZINC001361255983 1066604238 /nfs/dbraw/zinc/60/42/38/1066604238.db2.gz VIOIZWZXRHAIPY-UHFFFAOYSA-N 0 0 453.656 4.758 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001445690610 1066604313 /nfs/dbraw/zinc/60/43/13/1066604313.db2.gz RCWKHMUWMYYPDJ-OFVILXPXSA-N 0 0 450.966 4.595 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCOc2ccc(Cl)c(F)c2)CC1 ZINC001445689616 1066604328 /nfs/dbraw/zinc/60/43/28/1066604328.db2.gz SXVBAWHFPMBBHT-UHFFFAOYSA-N 0 0 452.979 4.853 20 0 JJADRN COc1cccc([C@@H](C)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361256696 1066605053 /nfs/dbraw/zinc/60/50/53/1066605053.db2.gz FYHRFKLFIAFSDF-WAIKUNEKSA-N 0 0 457.979 4.761 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)Cc2cc3ccccc3o2)c2ccc(Cl)cc2)c1 ZINC001361257329 1066605646 /nfs/dbraw/zinc/60/56/46/1066605646.db2.gz MCXWOZBNNOPGLN-DEOSSOPVSA-N 0 0 453.947 4.938 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccsc1Br ZINC001456509048 1066605685 /nfs/dbraw/zinc/60/56/85/1066605685.db2.gz SKEUENYRXRPBLO-UHFFFAOYSA-N 0 0 455.175 4.965 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2ccc(SCc3csc(C)n3)cc2)CCc2ccccc21 ZINC001456509331 1066605703 /nfs/dbraw/zinc/60/57/03/1066605703.db2.gz SQCSBUARLZDDLT-DEOSSOPVSA-N 0 0 452.601 4.878 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)[nH]n2)c1C ZINC001445695740 1066605651 /nfs/dbraw/zinc/60/56/51/1066605651.db2.gz DULBILJKGNXDNW-DENIHFKCSA-N 0 0 453.587 4.792 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)[nH]n2)c1C ZINC001445695778 1066605747 /nfs/dbraw/zinc/60/57/47/1066605747.db2.gz DULBILJKGNXDNW-UGKGYDQZSA-N 0 0 453.587 4.792 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3nn(-c4ccccc4Cl)cc3C)C2)cc(OC)c1 ZINC001445696711 1066605778 /nfs/dbraw/zinc/60/57/78/1066605778.db2.gz XYRAIIBTTJGCCO-QGZVFWFLSA-N 0 0 454.958 4.568 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC001445695427 1066605783 /nfs/dbraw/zinc/60/57/83/1066605783.db2.gz CRSLUIWXFZADTG-GQIGUUNPSA-N 0 0 454.546 4.785 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001456509369 1066606340 /nfs/dbraw/zinc/60/63/40/1066606340.db2.gz DLJVIOVAEIVBBM-HFJQGTKSSA-N 0 0 454.542 4.901 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001456510092 1066606358 /nfs/dbraw/zinc/60/63/58/1066606358.db2.gz CXAQVEJJZQMFBF-CPJSRVTESA-N 0 0 451.588 4.688 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001456509802 1066606366 /nfs/dbraw/zinc/60/63/66/1066606366.db2.gz CXAQVEJJZQMFBF-CJFMBICVSA-N 0 0 451.588 4.688 20 0 JJADRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1OC(F)(F)F ZINC001445706820 1066607475 /nfs/dbraw/zinc/60/74/75/1066607475.db2.gz FGPPEAGFQTZRBO-NSHDSACASA-N 0 0 453.770 4.661 20 0 JJADRN COc1c(C)cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001361258633 1066608401 /nfs/dbraw/zinc/60/84/01/1066608401.db2.gz ZHDMKVLOHKZVGM-QFIPXVFZSA-N 0 0 457.979 4.888 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001456514940 1066608467 /nfs/dbraw/zinc/60/84/67/1066608467.db2.gz MKWFXHRSODJUQD-MRXNPFEDSA-N 0 0 455.440 4.769 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2=O)ccc1Br ZINC001361258549 1066608479 /nfs/dbraw/zinc/60/84/79/1066608479.db2.gz XUICUYUOPRLCBW-INIZCTEOSA-N 0 0 457.368 4.978 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)s2)CC1 ZINC001456514999 1066608505 /nfs/dbraw/zinc/60/85/05/1066608505.db2.gz ASRWCTSYPREMHC-UHFFFAOYSA-N 0 0 457.577 4.608 20 0 JJADRN CCN(C)C(=O)c1cccc(OC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 ZINC001456515755 1066609026 /nfs/dbraw/zinc/60/90/26/1066609026.db2.gz DLBBIPKTJHVMII-UHFFFAOYSA-N 0 0 459.365 4.813 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2Cc2cccnc2OCC(F)F)o1 ZINC001361258859 1066609114 /nfs/dbraw/zinc/60/91/14/1066609114.db2.gz HFTAVMOEZMYZHA-UHFFFAOYSA-N 0 0 459.522 4.555 20 0 JJADRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC001445715635 1066609173 /nfs/dbraw/zinc/60/91/73/1066609173.db2.gz VYMNLIKTRUFXSP-HNNXBMFYSA-N 0 0 452.839 4.897 20 0 JJADRN CC/C(=C\C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC)cc1 ZINC001445712423 1066609183 /nfs/dbraw/zinc/60/91/83/1066609183.db2.gz NSHSGEAVEOFVLQ-IDKBZEPQSA-N 0 0 453.892 4.951 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC001445711235 1066609210 /nfs/dbraw/zinc/60/92/10/1066609210.db2.gz KNEUHJCGDPXAOO-HNNXBMFYSA-N 0 0 459.333 4.551 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC001445713066 1066609277 /nfs/dbraw/zinc/60/92/77/1066609277.db2.gz PVPQZBREAZGYGV-CQSZACIVSA-N 0 0 454.821 4.763 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1sc2ccccc2c1Br)c1noc(C)n1 ZINC001456515468 1066609224 /nfs/dbraw/zinc/60/92/24/1066609224.db2.gz DAJYFVRZHDUYQY-QGZVFWFLSA-N 0 0 458.337 4.883 20 0 JJADRN Cc1csc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)n1 ZINC001361260074 1066610409 /nfs/dbraw/zinc/61/04/09/1066610409.db2.gz SVGWVVOFBIKZBH-ZDUSSCGKSA-N 0 0 459.984 4.915 20 0 JJADRN CCOc1ccc([C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC001361260722 1066610456 /nfs/dbraw/zinc/61/04/56/1066610456.db2.gz SXFOTBLKWPFFBJ-INIZCTEOSA-N 0 0 451.972 4.831 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC001361261003 1066610961 /nfs/dbraw/zinc/61/09/61/1066610961.db2.gz DHRCJBZRXWNMEN-GCJKJVERSA-N 0 0 485.654 4.649 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC001361261002 1066611024 /nfs/dbraw/zinc/61/10/24/1066611024.db2.gz DHRCJBZRXWNMEN-AVRDEDQJSA-N 0 0 485.654 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)c2ccccc21 ZINC001445722224 1066611098 /nfs/dbraw/zinc/61/10/98/1066611098.db2.gz XRSQVNQERQSTKY-IBGZPJMESA-N 0 0 457.615 4.507 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CCO1 ZINC001546083027 1066611579 /nfs/dbraw/zinc/61/15/79/1066611579.db2.gz HWKAVVMILYBNKS-WGURPXDASA-N 0 0 486.588 4.680 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 ZINC001546083028 1066611721 /nfs/dbraw/zinc/61/17/21/1066611721.db2.gz HWKAVVMILYBNKS-YZYNAAERSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)c2)cn1 ZINC001456521818 1066612391 /nfs/dbraw/zinc/61/23/91/1066612391.db2.gz PURGEIWAUFMTPF-JTHBVZDNSA-N 0 0 453.583 4.782 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCc2nc(C)c(C)s2)s1 ZINC001361261252 1066612384 /nfs/dbraw/zinc/61/23/84/1066612384.db2.gz MIXFEMCXDAVMCC-UHFFFAOYSA-N 0 0 486.692 4.592 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)s1 ZINC001361261263 1066612447 /nfs/dbraw/zinc/61/24/47/1066612447.db2.gz MTWCRMFUGVSLGC-UHFFFAOYSA-N 0 0 459.566 4.567 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)s1 ZINC001361261264 1066612466 /nfs/dbraw/zinc/61/24/66/1066612466.db2.gz MWEFFPDTTAGIGZ-UHFFFAOYSA-N 0 0 488.057 4.919 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445729147 1066612575 /nfs/dbraw/zinc/61/25/75/1066612575.db2.gz ZBXXTJKIXGGNEA-XTEPFMGCSA-N 0 0 454.570 4.526 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361261271 1066612939 /nfs/dbraw/zinc/61/29/39/1066612939.db2.gz NEJGCCZDCWNQGR-QGZVFWFLSA-N 0 0 487.576 4.789 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NC[C@H](CO)Cc3ccccc3C(F)(F)F)c2C(C)C)cc1 ZINC001445737807 1066613066 /nfs/dbraw/zinc/61/30/66/1066613066.db2.gz FSSRKHLBIXVASO-GOSISDBHSA-N 0 0 459.512 4.904 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1OC1CCCC1 ZINC001445734041 1066613073 /nfs/dbraw/zinc/61/30/73/1066613073.db2.gz BIISNYMNEGONRA-UHFFFAOYSA-N 0 0 456.539 4.607 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCCCO2)o1 ZINC001361261419 1066613586 /nfs/dbraw/zinc/61/35/86/1066613586.db2.gz SAZBZWHOHGYBET-CTNGQTDRSA-N 0 0 473.618 4.847 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCCNC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC001456526770 1066613663 /nfs/dbraw/zinc/61/36/63/1066613663.db2.gz WPNYQGBKIDQEAK-XMMPIXPASA-N 0 0 454.929 4.904 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C ZINC001456527259 1066613702 /nfs/dbraw/zinc/61/37/02/1066613702.db2.gz JNYYCSKVYWBRPN-UHFFFAOYSA-N 0 0 456.490 4.538 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCCCO2)o1 ZINC001361261421 1066613696 /nfs/dbraw/zinc/61/36/96/1066613696.db2.gz SAZBZWHOHGYBET-FPOVZHCZSA-N 0 0 473.618 4.847 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)cc(C(=O)OC(C)(C)C)c1 ZINC001445747637 1066613821 /nfs/dbraw/zinc/61/38/21/1066613821.db2.gz NRGVIWKOIFDPAZ-INIZCTEOSA-N 0 0 451.485 4.550 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccnc2)C(C)C)o1 ZINC001361261635 1066614120 /nfs/dbraw/zinc/61/41/20/1066614120.db2.gz VJUBWJBCXFCLHI-OAQYLSRUSA-N 0 0 478.622 4.642 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)O)s1 ZINC001361261697 1066614152 /nfs/dbraw/zinc/61/41/52/1066614152.db2.gz HMGPHFREGUFMHJ-UHFFFAOYSA-N 0 0 457.987 4.934 20 0 JJADRN Cc1nc(C(C)(C)NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)sc1C ZINC001456529371 1066614235 /nfs/dbraw/zinc/61/42/35/1066614235.db2.gz QXSPZDRAKOZSCC-CYBMUJFWSA-N 0 0 450.655 4.760 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(-c3ccccc3)n2CCNC(=O)C(C)C)s1 ZINC001361261700 1066614213 /nfs/dbraw/zinc/61/42/13/1066614213.db2.gz HUAQSPNVEPDJCC-UHFFFAOYSA-N 0 0 463.607 4.887 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456530679 1066614941 /nfs/dbraw/zinc/61/49/41/1066614941.db2.gz PKLQXSHUBGGXNZ-RTBURBONSA-N 0 0 451.405 4.676 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc(C(F)F)cc1 ZINC001456532245 1066615022 /nfs/dbraw/zinc/61/50/22/1066615022.db2.gz HLLFFAYPFDCYQF-KRWDZBQOSA-N 0 0 454.315 4.993 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3ccccc3F)n2CC(=O)NC(C)C)s1 ZINC001361261991 1066615012 /nfs/dbraw/zinc/61/50/12/1066615012.db2.gz NCQAIVOZQMGLCL-UHFFFAOYSA-N 0 0 481.597 4.702 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)CCn3ncn(C)c3=O)cc2F)cc1 ZINC001456532279 1066615050 /nfs/dbraw/zinc/61/50/50/1066615050.db2.gz ATRVAJSBJCGPRW-QGZVFWFLSA-N 0 0 456.587 4.605 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001445775898 1066615242 /nfs/dbraw/zinc/61/52/42/1066615242.db2.gz FDFGLQVVZVQXFB-INIZCTEOSA-N 0 0 452.498 4.584 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 ZINC001361263402 1066616134 /nfs/dbraw/zinc/61/61/34/1066616134.db2.gz AMMMBHSUIWWLJS-DNVCBOLYSA-N 0 0 493.555 4.721 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccccc1C ZINC001361262495 1066616181 /nfs/dbraw/zinc/61/61/81/1066616181.db2.gz JXAIYGQYGDQWRO-SFHVURJKSA-N 0 0 452.429 4.616 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001361264021 1066616621 /nfs/dbraw/zinc/61/66/21/1066616621.db2.gz VESQTTIGZXCAOU-UHFFFAOYSA-N 0 0 464.517 4.512 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)c(C)c1 ZINC001361263567 1066616630 /nfs/dbraw/zinc/61/66/30/1066616630.db2.gz FGNHVFIBQZFIJW-UHFFFAOYSA-N 0 0 466.998 4.942 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3COc4c3cccc4Cl)c2)c1 ZINC001445784160 1066616705 /nfs/dbraw/zinc/61/67/05/1066616705.db2.gz KVBCDCGNYFXGRI-FQEVSTJZSA-N 0 0 456.951 4.621 20 0 JJADRN O=C(CCC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC001456535854 1066616726 /nfs/dbraw/zinc/61/67/26/1066616726.db2.gz UYTWOWKYPAJZNW-NRFANRHFSA-N 0 0 456.380 4.971 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC[C@H](O)c2ccc(OC)cc2)cc1 ZINC001445784386 1066616776 /nfs/dbraw/zinc/61/67/76/1066616776.db2.gz IRGWTMFHOITLGT-SANMLTNESA-N 0 0 455.558 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC001456537980 1066617978 /nfs/dbraw/zinc/61/79/78/1066617978.db2.gz BHDXRVVDHAIUNE-WWPVKYPJSA-N 0 0 454.611 4.924 20 0 JJADRN CC(C)(C)OC(=O)CCCCC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001456538003 1066618000 /nfs/dbraw/zinc/61/80/00/1066618000.db2.gz BVWBMPIVFZEPNA-UHFFFAOYSA-N 0 0 455.271 4.626 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCC3(c4cccc(Br)c4)CC3)CCC2=O)cc1C ZINC001456538601 1066618606 /nfs/dbraw/zinc/61/86/06/1066618606.db2.gz YEGVDEDWAIGXRF-GOSISDBHSA-N 0 0 455.396 4.657 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445795270 1066618645 /nfs/dbraw/zinc/61/86/45/1066618645.db2.gz FXBOYXISLPEKKS-SUNYJGFJSA-N 0 0 457.398 4.569 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cc(Br)ccc1OC(F)F ZINC001445792925 1066618846 /nfs/dbraw/zinc/61/88/46/1066618846.db2.gz AJADEVOWNTYRRZ-ZDUSSCGKSA-N 0 0 454.189 4.533 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C)CC2)c(=O)n1C ZINC001361267244 1066619294 /nfs/dbraw/zinc/61/92/94/1066619294.db2.gz KURSOHGMINMTHQ-HKUYNNGSSA-N 0 0 470.017 4.753 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001456539924 1066619343 /nfs/dbraw/zinc/61/93/43/1066619343.db2.gz RKFHCMCIAASLHV-UWVGGRQHSA-N 0 0 451.189 4.806 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nn1-c1ccccc1F ZINC001456540236 1066619384 /nfs/dbraw/zinc/61/93/84/1066619384.db2.gz GNLSITCNDHJBMC-UHFFFAOYSA-N 0 0 454.933 4.918 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2csnc2-c2ccccc2)nn1-c1ccccc1C(F)(F)F ZINC001456540661 1066620003 /nfs/dbraw/zinc/62/00/03/1066620003.db2.gz VSTYJCJECYPUPA-UHFFFAOYSA-N 0 0 456.449 4.936 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3C[C@]3(C)c3cccc(Br)c3)CC2)cc1 ZINC001456540630 1066620067 /nfs/dbraw/zinc/62/00/67/1066620067.db2.gz VKZRZDVYDSEFRU-XUZZJYLKSA-N 0 0 456.380 4.857 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)Cc2ccco2)cn1 ZINC001361268214 1066620737 /nfs/dbraw/zinc/62/07/37/1066620737.db2.gz IEVHTFMACJLYAQ-UHFFFAOYSA-N 0 0 456.319 4.828 20 0 JJADRN CC[C@@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@@H](O)c1c(F)cccc1F ZINC001445800465 1066620684 /nfs/dbraw/zinc/62/06/84/1066620684.db2.gz IKBJHNQWKAIIER-ZEQKJWHPSA-N 0 0 455.549 4.696 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1Br ZINC001445800986 1066620776 /nfs/dbraw/zinc/62/07/76/1066620776.db2.gz JXYLNGSIHXHBGU-AWEZNQCLSA-N 0 0 456.180 4.950 20 0 JJADRN CC[C@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@H](O)c1c(F)cccc1F ZINC001445800461 1066620794 /nfs/dbraw/zinc/62/07/94/1066620794.db2.gz IKBJHNQWKAIIER-OZXSUGGESA-N 0 0 455.549 4.696 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1)c1cccs1 ZINC001456544050 1066621249 /nfs/dbraw/zinc/62/12/49/1066621249.db2.gz FIURSRUHDPTBFO-UHFFFAOYSA-N 0 0 450.560 4.736 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC001445808170 1066621926 /nfs/dbraw/zinc/62/19/26/1066621926.db2.gz ATWZLZRMVORAEJ-CQSZACIVSA-N 0 0 452.334 4.834 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001456545873 1066621883 /nfs/dbraw/zinc/62/18/83/1066621883.db2.gz JTHKEPBPDWPFJB-GOSISDBHSA-N 0 0 452.938 4.945 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001456546486 1066621917 /nfs/dbraw/zinc/62/19/17/1066621917.db2.gz IXHOVXOWENAHMM-UHFFFAOYSA-N 0 0 452.429 4.941 20 0 JJADRN COc1ccc(Br)c(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001456546812 1066621928 /nfs/dbraw/zinc/62/19/28/1066621928.db2.gz WFDCPYHRDFNRII-UHFFFAOYSA-N 0 0 450.760 4.775 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)C2(c3cccc(Br)c3)CCCCC2)c1 ZINC001456545906 1066621957 /nfs/dbraw/zinc/62/19/57/1066621957.db2.gz HJBPCUMDBXMUAX-UHFFFAOYSA-N 0 0 454.372 4.963 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCc2cnccn2)cn1 ZINC001361269041 1066622560 /nfs/dbraw/zinc/62/25/60/1066622560.db2.gz ZXBJUVPDSUUDJM-HXUWFJFHSA-N 0 0 492.027 4.909 20 0 JJADRN C[C@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445817866 1066622631 /nfs/dbraw/zinc/62/26/31/1066622631.db2.gz MHZSLWDBBBRNMX-RNODOKPDSA-N 0 0 454.350 4.566 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2sc(C)nc2C)CCO1 ZINC001546083222 1066622700 /nfs/dbraw/zinc/62/27/00/1066622700.db2.gz KSIVMBNXQYQEFX-XDHUDOTRSA-N 0 0 473.618 4.879 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)s1 ZINC001361269325 1066622899 /nfs/dbraw/zinc/62/28/99/1066622899.db2.gz GOJCRBNPGLNZOT-UXHICEINSA-N 0 0 455.624 4.970 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCCCO2)c(C)c1 ZINC001361269139 1066622988 /nfs/dbraw/zinc/62/29/88/1066622988.db2.gz ZCPBFRDYCLMZER-IBGZPJMESA-N 0 0 458.404 4.706 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC001361269472 1066623022 /nfs/dbraw/zinc/62/30/22/1066623022.db2.gz BXYYPZSDNUUHTM-HXUWFJFHSA-N 0 0 451.542 4.910 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[C@H](O)c1c(F)cccc1Cl ZINC001445819200 1066623087 /nfs/dbraw/zinc/62/30/87/1066623087.db2.gz ZKUKZHSOYWVQOH-CMJOXMDJSA-N 0 0 450.901 4.579 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N1CCCCC[C@H]1c1ccco1 ZINC001456549822 1066623085 /nfs/dbraw/zinc/62/30/85/1066623085.db2.gz WFZRHDFSGNFLDX-SFHVURJKSA-N 0 0 454.386 4.740 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CCc3cccc4c3OCO4)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361269758 1066623708 /nfs/dbraw/zinc/62/37/08/1066623708.db2.gz CSRLBBALICMOTG-HUUCEWRRSA-N 0 0 450.457 4.619 20 0 JJADRN CSc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1Cl ZINC001361269511 1066623776 /nfs/dbraw/zinc/62/37/76/1066623776.db2.gz KISUIWLMNYOSRW-GASCZTMLSA-N 0 0 453.029 4.981 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)Oc2ccc(Oc3nccs3)cc2)CC1 ZINC001361269565 1066623790 /nfs/dbraw/zinc/62/37/90/1066623790.db2.gz CBQFPLRXOXAKSG-UHFFFAOYSA-N 0 0 452.532 4.549 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@H](C)c1ccc(C)cc1)C2 ZINC001456552280 1066623863 /nfs/dbraw/zinc/62/38/63/1066623863.db2.gz PEYVGURWSOECPC-LAUBAEHRSA-N 0 0 454.567 4.598 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445822230 1066623889 /nfs/dbraw/zinc/62/38/89/1066623889.db2.gz MXXZIJFIZIAEDQ-OALUTQOASA-N 0 0 455.640 4.613 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445827420 1066624427 /nfs/dbraw/zinc/62/44/27/1066624427.db2.gz SCTBFWARGIYQPD-RBUKOAKNSA-N 0 0 455.640 4.660 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1cc(F)ccc1F ZINC001456560571 1066624966 /nfs/dbraw/zinc/62/49/66/1066624966.db2.gz BNRHRZDBSBTSRL-WAIKUNEKSA-N 0 0 458.530 4.885 20 0 JJADRN COc1ccc(OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1C ZINC001361271651 1066624865 /nfs/dbraw/zinc/62/48/65/1066624865.db2.gz XAHVPSVZYNVNEU-IYBDPMFKSA-N 0 0 452.473 4.654 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC001361271747 1066624993 /nfs/dbraw/zinc/62/49/93/1066624993.db2.gz AHCYMMADGSOHSO-LJQANCHMSA-N 0 0 481.044 4.727 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C)nc2)no1 ZINC001361271843 1066625058 /nfs/dbraw/zinc/62/50/58/1066625058.db2.gz DCLXYFYFIUFGNK-UHFFFAOYSA-N 0 0 471.334 4.531 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)cc1 ZINC001361271708 1066625069 /nfs/dbraw/zinc/62/50/69/1066625069.db2.gz YZBWXWPOFCWBDB-HXUWFJFHSA-N 0 0 450.604 4.998 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)c1 ZINC001445838991 1066625106 /nfs/dbraw/zinc/62/51/06/1066625106.db2.gz CRLOWSUZVRHAHZ-CYBMUJFWSA-N 0 0 456.955 4.704 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001445843750 1066625471 /nfs/dbraw/zinc/62/54/71/1066625471.db2.gz LZBSMDADCPTVIT-JLCFBVMHSA-N 0 0 455.958 4.562 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H](C)c2nccs2)cn1 ZINC001361272086 1066625431 /nfs/dbraw/zinc/62/54/31/1066625431.db2.gz BXZPBONTQKHENJ-OAHLLOKOSA-N 0 0 470.549 4.995 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001361271864 1066625577 /nfs/dbraw/zinc/62/55/77/1066625577.db2.gz DUKVKFYJTJYCAH-SFHVURJKSA-N 0 0 453.612 4.714 20 0 JJADRN CC1(C)C[C@H](c2ccccc2)CN1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001456564948 1066625679 /nfs/dbraw/zinc/62/56/79/1066625679.db2.gz HGKCUJWVDJZAHC-IBGZPJMESA-N 0 0 454.617 4.551 20 0 JJADRN COc1cccc(CC2(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)CCCCC2)c1 ZINC001445848642 1066626461 /nfs/dbraw/zinc/62/64/61/1066626461.db2.gz UDYRCUSGJUNZMY-UHFFFAOYSA-N 0 0 450.579 4.736 20 0 JJADRN CC(C)(C(=O)N1CCN(c2cccs2)CC1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001445847156 1066626523 /nfs/dbraw/zinc/62/65/23/1066626523.db2.gz RFQZGMGYZICOHZ-XMMPIXPASA-N 0 0 450.604 4.736 20 0 JJADRN C[C@H](OCc1ccncc1)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456564133 1066626474 /nfs/dbraw/zinc/62/64/74/1066626474.db2.gz IWQHXDQDBVFXII-HNNXBMFYSA-N 0 0 454.324 4.640 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c(=O)n1C ZINC001361272390 1066626763 /nfs/dbraw/zinc/62/67/63/1066626763.db2.gz GKNIAWPHJYKZHD-RHSMWYFYSA-N 0 0 490.471 4.839 20 0 JJADRN C[C@H]1CCc2nc(C(=O)Nc3cccc(NC(=O)c4ccc(Br)cc4)c3)cn2C1 ZINC001456565534 1066627123 /nfs/dbraw/zinc/62/71/23/1066627123.db2.gz MSDAUEGUFIUAAV-AWEZNQCLSA-N 0 0 453.340 4.733 20 0 JJADRN C[C@](O)(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(F)cc1 ZINC001456568246 1066627861 /nfs/dbraw/zinc/62/78/61/1066627861.db2.gz SVHUBIFPEUVUPK-JOCHJYFZSA-N 0 0 457.299 4.687 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H](c2ccsc2)O1 ZINC001445860975 1066627936 /nfs/dbraw/zinc/62/79/36/1066627936.db2.gz WZMASQNVTMTWGT-HNAYVOBHSA-N 0 0 450.398 4.547 20 0 JJADRN Cc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001361272973 1066628169 /nfs/dbraw/zinc/62/81/69/1066628169.db2.gz MLLMEBZWOVMICL-GBESFXJTSA-N 0 0 486.707 4.746 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H](C(C)C)C2)s1 ZINC001361272984 1066628182 /nfs/dbraw/zinc/62/81/82/1066628182.db2.gz MMXUBMFBKGZJNQ-LJQANCHMSA-N 0 0 458.653 4.639 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC3CCC(O)(C(F)(F)F)CC3)nn2-c2ccccc2)cc1 ZINC001445866907 1066628504 /nfs/dbraw/zinc/62/85/04/1066628504.db2.gz TZDKANKMAIKUGW-UHFFFAOYSA-N 0 0 459.468 4.514 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C2CCC(C)CC2)c(=O)n1C ZINC001361273207 1066628908 /nfs/dbraw/zinc/62/89/08/1066628908.db2.gz XAUARXWFEZFDFA-UHFFFAOYSA-N 0 0 457.981 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC2(CCC2)C1 ZINC001445868521 1066629114 /nfs/dbraw/zinc/62/91/14/1066629114.db2.gz YXRJUSMJDWCLKX-QHCPKHFHSA-N 0 0 450.579 4.714 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC001445870798 1066629158 /nfs/dbraw/zinc/62/91/58/1066629158.db2.gz UTZOATIAINQIOO-UHFFFAOYSA-N 0 0 459.255 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2ccc(C)cc2F)o1 ZINC001361273283 1066629531 /nfs/dbraw/zinc/62/95/31/1066629531.db2.gz QJCSVHSRFLMVLL-QGZVFWFLSA-N 0 0 452.452 4.890 20 0 JJADRN CCCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001456576998 1066629654 /nfs/dbraw/zinc/62/96/54/1066629654.db2.gz KBVOCTQSFCFEMT-UXHICEINSA-N 0 0 458.672 4.967 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC001445883977 1066630452 /nfs/dbraw/zinc/63/04/52/1066630452.db2.gz DXQAFYBPQNZJQM-UPRAQXHNSA-N 0 0 452.523 4.581 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(F)c1 ZINC001361274222 1066630858 /nfs/dbraw/zinc/63/08/58/1066630858.db2.gz AABUDUQXTFRRJQ-UHFFFAOYSA-N 0 0 480.588 4.577 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)c1ccc(F)cc1F ZINC001456580574 1066630992 /nfs/dbraw/zinc/63/09/92/1066630992.db2.gz AMHYUMZWIPZESS-XMMPIXPASA-N 0 0 452.501 4.713 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001456581832 1066631701 /nfs/dbraw/zinc/63/17/01/1066631701.db2.gz DAVKEAOJPCNRHM-ZJSXRUAMSA-N 0 0 453.579 4.798 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001456581819 1066631710 /nfs/dbraw/zinc/63/17/10/1066631710.db2.gz DAVKEAOJPCNRHM-QPPBQGQZSA-N 0 0 453.579 4.798 20 0 JJADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445889653 1066631846 /nfs/dbraw/zinc/63/18/46/1066631846.db2.gz CVLMEEIRSOQYSQ-KSSFIOAISA-N 0 0 459.450 4.567 20 0 JJADRN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445889644 1066631881 /nfs/dbraw/zinc/63/18/81/1066631881.db2.gz CVLMEEIRSOQYSQ-KBXCAEBGSA-N 0 0 459.450 4.567 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361275299 1066632214 /nfs/dbraw/zinc/63/22/14/1066632214.db2.gz OXYOSQBKXFKBIG-CALCHBBNSA-N 0 0 477.556 4.968 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3)sc2C)cc1 ZINC001456582953 1066632342 /nfs/dbraw/zinc/63/23/42/1066632342.db2.gz HKLJJSWXGQLWNH-UHFFFAOYSA-N 0 0 456.589 4.734 20 0 JJADRN NC(=O)N[C@@H](CC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1cccc(Oc2ccccc2)c1 ZINC001445898671 1066632537 /nfs/dbraw/zinc/63/25/37/1066632537.db2.gz DRZMYSLEHQXERR-DHLKQENFSA-N 0 0 458.562 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC001445902912 1066632567 /nfs/dbraw/zinc/63/25/67/1066632567.db2.gz RCQCCOQLCMAFGA-OAQYLSRUSA-N 0 0 452.599 4.777 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361275773 1066632798 /nfs/dbraw/zinc/63/27/98/1066632798.db2.gz WVIQNACRUCBXFH-FQEVSTJZSA-N 0 0 489.542 4.889 20 0 JJADRN CCc1cccc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1O ZINC001456584281 1066632812 /nfs/dbraw/zinc/63/28/12/1066632812.db2.gz IASYXNYTFSMQQO-UHFFFAOYSA-N 0 0 455.234 4.569 20 0 JJADRN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)cc3c2C1 ZINC001456586222 1066633813 /nfs/dbraw/zinc/63/38/13/1066633813.db2.gz BDHQPWCTYHQZKX-CQSZACIVSA-N 0 0 457.571 4.761 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCN(CC(F)(F)F)c3ccccc32)c(Br)c1 ZINC001361276476 1066634029 /nfs/dbraw/zinc/63/40/29/1066634029.db2.gz CPWUMZQJBRFTCM-UHFFFAOYSA-N 0 0 457.290 4.942 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001456588064 1066634300 /nfs/dbraw/zinc/63/43/00/1066634300.db2.gz OBRHBVMYDXDMLQ-DEOSSOPVSA-N 0 0 458.558 4.930 20 0 JJADRN CCNc1ccc(C(=O)OCC)cc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001445913926 1066634301 /nfs/dbraw/zinc/63/43/01/1066634301.db2.gz ZAFJLTJMOAXWDU-UHFFFAOYSA-N 0 0 458.868 4.803 20 0 JJADRN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001445913815 1066634335 /nfs/dbraw/zinc/63/43/35/1066634335.db2.gz XHHYKXFVAXGSMP-UHFFFAOYSA-N 0 0 454.477 4.500 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361277518 1066634908 /nfs/dbraw/zinc/63/49/08/1066634908.db2.gz WSESGQKUHKDLCI-CTNGQTDRSA-N 0 0 464.614 4.760 20 0 JJADRN Cc1ccc(SC2(CNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CCCC2)cc1 ZINC001361277467 1066634921 /nfs/dbraw/zinc/63/49/21/1066634921.db2.gz WRVJDGPTFPMEAB-HSZRJFAPSA-N 0 0 450.648 4.997 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)c1 ZINC001361277420 1066634948 /nfs/dbraw/zinc/63/49/48/1066634948.db2.gz VGIIWDXTOHYQPX-UHFFFAOYSA-N 0 0 470.421 4.721 20 0 JJADRN COc1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)c2ccccc2n1 ZINC001456590150 1066635025 /nfs/dbraw/zinc/63/50/25/1066635025.db2.gz LPZQLDREDBWZJW-UHFFFAOYSA-N 0 0 453.542 4.835 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(CC)c2O)c(Cl)cc1Cl ZINC001456589799 1066635069 /nfs/dbraw/zinc/63/50/69/1066635069.db2.gz NQKZZZFVKOSKBI-GFCCVEGCSA-N 0 0 459.395 4.981 20 0 JJADRN CSCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC001456590917 1066635075 /nfs/dbraw/zinc/63/50/75/1066635075.db2.gz HEFUAPSYTBVOTD-MRXNPFEDSA-N 0 0 454.596 4.664 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361278303 1066635342 /nfs/dbraw/zinc/63/53/42/1066635342.db2.gz SKESLVFDZOQXAE-DENIHFKCSA-N 0 0 453.631 4.950 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1)OC ZINC001545979743 1066635674 /nfs/dbraw/zinc/63/56/74/1066635674.db2.gz HPMRWHXACGOMHI-JOCHJYFZSA-N 0 0 480.016 4.667 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1)C1CC1 ZINC001456591286 1066635675 /nfs/dbraw/zinc/63/56/75/1066635675.db2.gz QIXNMUVJSMOVEF-UHFFFAOYSA-N 0 0 455.599 4.563 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc1 ZINC001445928912 1066636179 /nfs/dbraw/zinc/63/61/79/1066636179.db2.gz JCCWYKJOEKDECB-RXVVDRJESA-N 0 0 452.624 4.566 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001445927168 1066636216 /nfs/dbraw/zinc/63/62/16/1066636216.db2.gz HXZOABLJJWLEHH-VWLOTQADSA-N 0 0 459.615 4.970 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)OC ZINC001545979801 1066636225 /nfs/dbraw/zinc/63/62/25/1066636225.db2.gz IPIHEPPPHGHKSV-MBSDFSHPSA-N 0 0 493.530 4.555 20 0 JJADRN O=C(c1cnn2cc(Br)cnc12)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001445928988 1066636239 /nfs/dbraw/zinc/63/62/39/1066636239.db2.gz MMRCCJJUESYZFP-UHFFFAOYSA-N 0 0 453.262 4.530 20 0 JJADRN CC[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545979885 1066636801 /nfs/dbraw/zinc/63/68/01/1066636801.db2.gz KEGJRWKFRTYCMV-MOPGFXCFSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCC(F)F)cc1 ZINC001361280405 1066637375 /nfs/dbraw/zinc/63/73/75/1066637375.db2.gz DNKCTDYLTGVNKI-LJQANCHMSA-N 0 0 463.573 4.841 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456600557 1066637981 /nfs/dbraw/zinc/63/79/81/1066637981.db2.gz FDXPAENOLRJHML-GVXSCFBNSA-N 0 0 452.595 4.938 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC001445942976 1066638055 /nfs/dbraw/zinc/63/80/55/1066638055.db2.gz ZGZLNHOXRRIRCZ-YMWTUSLSSA-N 0 0 451.607 4.812 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2nccs2)s1 ZINC001361280776 1066638070 /nfs/dbraw/zinc/63/80/70/1066638070.db2.gz OFXWOPYIESCEKS-KRWDZBQOSA-N 0 0 488.683 4.904 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1 ZINC001361280932 1066638147 /nfs/dbraw/zinc/63/81/47/1066638147.db2.gz SDRTWUBQWLVKLS-JOCHJYFZSA-N 0 0 494.640 4.991 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001361280830 1066638170 /nfs/dbraw/zinc/63/81/70/1066638170.db2.gz PNHOEHLDWWBJIC-ATKRNPRHSA-N 0 0 471.621 4.934 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)o1 ZINC001456600344 1066638735 /nfs/dbraw/zinc/63/87/35/1066638735.db2.gz KSTHTLKIPIALKW-JOCHJYFZSA-N 0 0 452.555 4.514 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361280960 1066638816 /nfs/dbraw/zinc/63/88/16/1066638816.db2.gz STPCZUNLBCAKMX-HXUWFJFHSA-N 0 0 453.631 4.952 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545980002 1066638782 /nfs/dbraw/zinc/63/87/82/1066638782.db2.gz MEWKBAGGINOCSI-LJQANCHMSA-N 0 0 464.570 4.670 20 0 JJADRN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456601161 1066638785 /nfs/dbraw/zinc/63/87/85/1066638785.db2.gz HUXYGVVVSDSEKG-ICSRJNTNSA-N 0 0 451.567 4.562 20 0 JJADRN CC[C@@H](CNC(=O)C1CCC(OC[C@H]2CCCO2)CC1)Cc1cccc(Br)c1 ZINC001456603586 1066639383 /nfs/dbraw/zinc/63/93/83/1066639383.db2.gz MYEMKLSWMUCXCZ-QJDYRKAXSA-N 0 0 452.433 4.888 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001361282032 1066639388 /nfs/dbraw/zinc/63/93/88/1066639388.db2.gz NIMJRYCCOMBLLG-HKUYNNGSSA-N 0 0 489.686 4.815 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361281301 1066639405 /nfs/dbraw/zinc/63/94/05/1066639405.db2.gz BQHFLJGXNLSBCS-RTWAWAEBSA-N 0 0 496.574 4.721 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cccc(CCC(F)(F)F)c2)cc1 ZINC001445952358 1066639556 /nfs/dbraw/zinc/63/95/56/1066639556.db2.gz AOVSZVSNIWCQLG-UHFFFAOYSA-N 0 0 450.486 4.766 20 0 JJADRN Cc1c(C(=O)NCCCCSc2ccccc2Br)nnn1-c1ccc(C)cc1 ZINC001456604726 1066640011 /nfs/dbraw/zinc/64/00/11/1066640011.db2.gz UATOWGXQTNRFLG-UHFFFAOYSA-N 0 0 459.413 4.949 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)c(F)c1 ZINC001361282219 1066640135 /nfs/dbraw/zinc/64/01/35/1066640135.db2.gz PQEMCXWOTUKFMR-UYAOXDASSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC001361282065 1066640171 /nfs/dbraw/zinc/64/01/71/1066640171.db2.gz OABRPKMAUKXGPQ-MRXNPFEDSA-N 0 0 462.438 4.850 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)c1 ZINC001361282392 1066640202 /nfs/dbraw/zinc/64/02/02/1066640202.db2.gz SAMKEYSJPSVXGE-KRWDZBQOSA-N 0 0 465.545 4.949 20 0 JJADRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC001445958665 1066640372 /nfs/dbraw/zinc/64/03/72/1066640372.db2.gz LMGJALAAZSUQAY-PMACEKPBSA-N 0 0 457.452 4.712 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)ccc1OC1CCOCC1 ZINC001456605785 1066640922 /nfs/dbraw/zinc/64/09/22/1066640922.db2.gz VRCRCISSIQQOIR-UHFFFAOYSA-N 0 0 456.340 4.753 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545980117 1066641053 /nfs/dbraw/zinc/64/10/53/1066641053.db2.gz OYGYUMAZUMZJIY-NFBKMPQASA-N 0 0 467.589 4.897 20 0 JJADRN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NCCCNC(=O)c3cccc(O)c3)c2C1 ZINC001445971145 1066641082 /nfs/dbraw/zinc/64/10/82/1066641082.db2.gz SQZVYCYSNWLNPX-LJQANCHMSA-N 0 0 459.590 4.641 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445971730 1066641107 /nfs/dbraw/zinc/64/11/07/1066641107.db2.gz QCJAIIWYANMLIF-MRXNPFEDSA-N 0 0 458.967 4.516 20 0 JJADRN Cc1cc(SCC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c(C)cc1Br ZINC001361283974 1066641391 /nfs/dbraw/zinc/64/13/91/1066641391.db2.gz IEPUISYZLIJDHC-UHFFFAOYSA-N 0 0 457.434 4.674 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](Cc4ccccc4)O3)cc2)c1 ZINC001456606812 1066641412 /nfs/dbraw/zinc/64/14/12/1066641412.db2.gz NGGAGTDTNVVDFV-VWNXMTODSA-N 0 0 451.544 4.611 20 0 JJADRN COc1ccc2cc(C(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)cnc2c1 ZINC001456607063 1066641464 /nfs/dbraw/zinc/64/14/64/1066641464.db2.gz SBOMJDKSDYOAOT-UHFFFAOYSA-N 0 0 453.542 4.835 20 0 JJADRN CC(C)OC1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001361283127 1066641494 /nfs/dbraw/zinc/64/14/94/1066641494.db2.gz AHXIZHXJKYWHIE-RTWAWAEBSA-N 0 0 451.007 4.707 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC001445979560 1066641485 /nfs/dbraw/zinc/64/14/85/1066641485.db2.gz ALQLLCUVMWSKLK-INIZCTEOSA-N 0 0 458.356 4.608 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 ZINC001545980196 1066641717 /nfs/dbraw/zinc/64/17/17/1066641717.db2.gz QHGGWHMCPQEEJM-QFIPXVFZSA-N 0 0 460.626 4.537 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COC[C@H](C)c1ccccc1 ZINC001456610187 1066642380 /nfs/dbraw/zinc/64/23/80/1066642380.db2.gz RBFCBPSSKMNNNZ-GPUOULLFSA-N 0 0 452.595 4.845 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2ccnn2CCc2ccccc2)c2ccccc2)cc1OC ZINC001361283979 1066642418 /nfs/dbraw/zinc/64/24/18/1066642418.db2.gz IGEAOYUGGUMVQP-DEOSSOPVSA-N 0 0 455.558 4.857 20 0 JJADRN C[C@@H](CC(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(Br)c1 ZINC001456611737 1066642996 /nfs/dbraw/zinc/64/29/96/1066642996.db2.gz WXXKXYUSTHSALN-GJZGRUSLSA-N 0 0 457.384 4.845 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)cc1OC ZINC001361284533 1066642983 /nfs/dbraw/zinc/64/29/83/1066642983.db2.gz VKEBALOCXYCCPO-HXUWFJFHSA-N 0 0 453.922 4.842 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(OC(C)(C)C)c1 ZINC001445998782 1066643135 /nfs/dbraw/zinc/64/31/35/1066643135.db2.gz KOJYORVITUMGIC-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(CSC)CC2)cc1OC ZINC001456612355 1066643772 /nfs/dbraw/zinc/64/37/72/1066643772.db2.gz BZKGCMGHUVJEJL-UHFFFAOYSA-N 0 0 451.592 4.772 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCOC(C)(C)C ZINC001446000980 1066644056 /nfs/dbraw/zinc/64/40/56/1066644056.db2.gz SQVORECVJNDPFL-DEOSSOPVSA-N 0 0 452.595 4.823 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c(O[C@H]2CCOC2)c1 ZINC001361285485 1066644253 /nfs/dbraw/zinc/64/42/53/1066644253.db2.gz AKPCZSFDVNURCT-PKTZIBPZSA-N 0 0 470.658 4.785 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@]3(CCO[C@H]3C)C2)c(OCC(F)(F)F)c1 ZINC001361285882 1066644402 /nfs/dbraw/zinc/64/44/02/1066644402.db2.gz HBOGLVSFYBXLQO-MHECFPHRSA-N 0 0 496.574 4.549 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC001446012928 1066644959 /nfs/dbraw/zinc/64/49/59/1066644959.db2.gz LGKDFTUMUZROEM-PZJWPPBQSA-N 0 0 457.979 4.798 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)c1 ZINC001361286569 1066644935 /nfs/dbraw/zinc/64/49/35/1066644935.db2.gz UOCOQHKUBCMFIM-UHFFFAOYSA-N 0 0 451.659 4.617 20 0 JJADRN Cc1ccccc1C1(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 ZINC001456617098 1066645576 /nfs/dbraw/zinc/64/55/76/1066645576.db2.gz ZNEIJILLQGHKFF-UHFFFAOYSA-N 0 0 456.627 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)COc3cccc(Cl)c3)CC2)CC1 ZINC001456617205 1066645639 /nfs/dbraw/zinc/64/56/39/1066645639.db2.gz GLUUIRACDIKYIZ-SFHVURJKSA-N 0 0 451.007 4.995 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC001361287022 1066645691 /nfs/dbraw/zinc/64/56/91/1066645691.db2.gz YNZPAQANODPVMV-RTBURBONSA-N 0 0 458.521 4.758 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001361287219 1066645787 /nfs/dbraw/zinc/64/57/87/1066645787.db2.gz FWBQCPZSFMTWPW-NDEPHWFRSA-N 0 0 459.365 4.646 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456618155 1066646182 /nfs/dbraw/zinc/64/61/82/1066646182.db2.gz JAOUOLDDBNICLP-KGLIPLIRSA-N 0 0 451.539 4.711 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001361287892 1066646288 /nfs/dbraw/zinc/64/62/88/1066646288.db2.gz FRGNBAZWXNBSRN-GOSISDBHSA-N 0 0 455.359 4.713 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598450 1066646999 /nfs/dbraw/zinc/64/69/99/1066646999.db2.gz NGCZLPRTDVTMJN-QGKKGPLKSA-N 0 0 456.631 4.577 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000100444531 1066647093 /nfs/dbraw/zinc/64/70/93/1066647093.db2.gz UMCXXXDENIVJHQ-UHFFFAOYSA-N 0 0 459.365 4.917 20 0 JJADRN O=C(CCOc1ccc2ccccc2c1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361289211 1066647118 /nfs/dbraw/zinc/64/71/18/1066647118.db2.gz QHUFAEKLMVUJDY-HXUWFJFHSA-N 0 0 456.464 4.545 20 0 JJADRN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001446026094 1066647190 /nfs/dbraw/zinc/64/71/90/1066647190.db2.gz RUYWLMFIGCFROB-OEIFXAAASA-N 0 0 455.356 4.780 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001446023949 1066647323 /nfs/dbraw/zinc/64/73/23/1066647323.db2.gz QPEYRRJWCQPVQG-WIJSZAOYSA-N 0 0 452.620 4.959 20 0 JJADRN COc1ccccc1C1(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CCCCC1 ZINC001456620943 1066647652 /nfs/dbraw/zinc/64/76/52/1066647652.db2.gz FXYNANMEVXSNPA-UHFFFAOYSA-N 0 0 456.608 4.593 20 0 JJADRN O=C(NCc1cccc(CO)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001446028254 1066647815 /nfs/dbraw/zinc/64/78/15/1066647815.db2.gz BBRUNQGEPKWXKX-UHFFFAOYSA-N 0 0 459.802 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)C1 ZINC001446029223 1066647912 /nfs/dbraw/zinc/64/79/12/1066647912.db2.gz DACDJYUAUMGPLP-ZQIDGUAPSA-N 0 0 480.605 4.565 20 0 JJADRN CC[C@@H]1CCCCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001456622718 1066648490 /nfs/dbraw/zinc/64/84/90/1066648490.db2.gz AUSZNZXVYPPGRD-LJQANCHMSA-N 0 0 454.596 4.772 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC(Cc2ccc(Br)cc2)C1 ZINC001456624995 1066648520 /nfs/dbraw/zinc/64/85/20/1066648520.db2.gz DJTFFNSIFIMVMC-UHFFFAOYSA-N 0 0 459.365 4.979 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001492598930 1066649144 /nfs/dbraw/zinc/64/91/44/1066649144.db2.gz RNXDXLHLTLPFTE-NRFANRHFSA-N 0 0 466.605 4.503 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001492598883 1066649199 /nfs/dbraw/zinc/64/91/99/1066649199.db2.gz QUIJFCHBQJVSPU-LUGTWXOSSA-N 0 0 470.658 4.834 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N(C)Cc2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598904 1066649212 /nfs/dbraw/zinc/64/92/12/1066649212.db2.gz RGJAHGPFVHUSEM-NLFFAJNJSA-N 0 0 470.639 4.793 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N(C)Cc2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598902 1066649246 /nfs/dbraw/zinc/64/92/46/1066649246.db2.gz RGJAHGPFVHUSEM-CPJSRVTESA-N 0 0 470.639 4.793 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492598835 1066649252 /nfs/dbraw/zinc/64/92/52/1066649252.db2.gz PZQKFCOFXQLQOM-UNMCSNQZSA-N 0 0 454.640 4.958 20 0 JJADRN O=C(/C(=C/c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001446035962 1066649194 /nfs/dbraw/zinc/64/91/94/1066649194.db2.gz OIODZTMGEAEHFN-RCCKNPSSSA-N 0 0 452.963 4.632 20 0 JJADRN CC[C@@]1(C(=O)N2CC(Cc3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001456625257 1066649623 /nfs/dbraw/zinc/64/96/23/1066649623.db2.gz DXZYGKRZRPKQAN-QFIPXVFZSA-N 0 0 451.405 4.630 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1CCSC(F)(F)F ZINC001492599317 1066649766 /nfs/dbraw/zinc/64/97/66/1066649766.db2.gz WIZGDNSINJWSOC-UHFFFAOYSA-N 0 0 451.518 4.807 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)n1nnc(-c2ccccc2)n1 ZINC001446037464 1066650051 /nfs/dbraw/zinc/65/00/51/1066650051.db2.gz VZYTYYJILPWHJI-RPBOFIJWSA-N 0 0 455.562 4.842 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492599614 1066650561 /nfs/dbraw/zinc/65/05/61/1066650561.db2.gz ZNDBQUKMNBEMDA-GGAORHGYSA-N 0 0 463.626 4.824 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1 ZINC001446039848 1066650616 /nfs/dbraw/zinc/65/06/16/1066650616.db2.gz YKDPQDNHPVYBRC-VWLOTQADSA-N 0 0 451.588 4.718 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(CSc4nccn4C)c3)n2)cc1F ZINC001446040949 1066650619 /nfs/dbraw/zinc/65/06/19/1066650619.db2.gz JFCLRVBCUYYCMI-HNNXBMFYSA-N 0 0 451.527 4.701 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1 ZINC001446040044 1066650623 /nfs/dbraw/zinc/65/06/23/1066650623.db2.gz WOANIUBPXGXJRY-GOSISDBHSA-N 0 0 457.611 4.585 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492599417 1066650597 /nfs/dbraw/zinc/65/05/97/1066650597.db2.gz ZFJWUGYVTBFLBC-QRVBRYPASA-N 0 0 479.547 4.737 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492599492 1066650602 /nfs/dbraw/zinc/65/06/02/1066650602.db2.gz XJFAGOZEEKRDPV-NNXSRULWSA-N 0 0 470.658 4.976 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001546083774 1066650798 /nfs/dbraw/zinc/65/07/98/1066650798.db2.gz SRVDFWTZCSYSDU-WDZJFXIESA-N 0 0 456.631 4.855 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC2(OC)CCC2)CCO1 ZINC001546083768 1066650815 /nfs/dbraw/zinc/65/08/15/1066650815.db2.gz SOOQPHNVPUZORJ-OFVILXPXSA-N 0 0 456.631 4.999 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC2(C)CCOCC2)CCO1 ZINC001546083749 1066650853 /nfs/dbraw/zinc/65/08/53/1066650853.db2.gz SLNBIRLKKNBTDX-JOCHJYFZSA-N 0 0 463.420 4.530 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001492599193 1066651075 /nfs/dbraw/zinc/65/10/75/1066651075.db2.gz VDHMLPITCHERJH-HXUWFJFHSA-N 0 0 466.605 4.503 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N(C)C ZINC001492599171 1066651094 /nfs/dbraw/zinc/65/10/94/1066651094.db2.gz UTAQEHSFSZNYJX-LJQANCHMSA-N 0 0 495.693 4.823 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCCC(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC001446045856 1066651373 /nfs/dbraw/zinc/65/13/73/1066651373.db2.gz GLPPAUVOXJEADD-UHFFFAOYSA-N 0 0 452.595 4.721 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)cc1 ZINC001456632324 1066652167 /nfs/dbraw/zinc/65/21/67/1066652167.db2.gz JEEZZPXXDVHMGM-UHFFFAOYSA-N 0 0 454.596 4.587 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)N1CC(Cc2ccc(Br)cc2)C1 ZINC001456631354 1066652174 /nfs/dbraw/zinc/65/21/74/1066652174.db2.gz LVFGYMANEPRNKY-UHFFFAOYSA-N 0 0 451.364 4.667 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492600017 1066652559 /nfs/dbraw/zinc/65/25/59/1066652559.db2.gz GBHMLIJRCLUNMO-XMMPIXPASA-N 0 0 494.558 4.795 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC001446052696 1066652686 /nfs/dbraw/zinc/65/26/86/1066652686.db2.gz YBNGTARMORMYEY-FDDCHVKYSA-N 0 0 454.530 4.648 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)C2)c1 ZINC001456634583 1066652795 /nfs/dbraw/zinc/65/27/95/1066652795.db2.gz ADMHFJHNGDQXIZ-GGAORHGYSA-N 0 0 451.611 4.680 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC=CO1 ZINC001492600363 1066653197 /nfs/dbraw/zinc/65/31/97/1066653197.db2.gz LTXRCDNRQRMDOU-SFHVURJKSA-N 0 0 472.387 4.552 20 0 JJADRN Cc1ccccc1OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1 ZINC001492600241 1066653218 /nfs/dbraw/zinc/65/32/18/1066653218.db2.gz JGHQWHRDLLFCBU-UHFFFAOYSA-N 0 0 467.639 4.818 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001492600320 1066653268 /nfs/dbraw/zinc/65/32/68/1066653268.db2.gz KPUQWNOGQKSQTR-IBGZPJMESA-N 0 0 455.990 4.634 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001446060004 1066653339 /nfs/dbraw/zinc/65/33/39/1066653339.db2.gz CFYBRKLRMMCCGG-CABCVRRESA-N 0 0 455.393 4.532 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC001446060185 1066653408 /nfs/dbraw/zinc/65/34/08/1066653408.db2.gz DOGKEZARUUXCJZ-IAGOWNOFSA-N 0 0 457.596 4.766 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001446060031 1066653447 /nfs/dbraw/zinc/65/34/47/1066653447.db2.gz CFYBRKLRMMCCGG-HUUCEWRRSA-N 0 0 455.393 4.532 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492600511 1066653753 /nfs/dbraw/zinc/65/37/53/1066653753.db2.gz NCNWSWGXXNVJOB-QFIPXVFZSA-N 0 0 485.673 4.947 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492600655 1066653818 /nfs/dbraw/zinc/65/38/18/1066653818.db2.gz PGLOSFJQBLVUMT-OAQYLSRUSA-N 0 0 494.640 4.886 20 0 JJADRN COC(C)(C)CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC001446063736 1066653918 /nfs/dbraw/zinc/65/39/18/1066653918.db2.gz YHBNOPWLEBFDGV-VWLOTQADSA-N 0 0 457.574 4.546 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001492600970 1066654457 /nfs/dbraw/zinc/65/44/57/1066654457.db2.gz VRBVZEFKLIMOSN-UHFFFAOYSA-N 0 0 461.397 4.793 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492600751 1066654513 /nfs/dbraw/zinc/65/45/13/1066654513.db2.gz RFPLMJVENXLAAX-SFHVURJKSA-N 0 0 455.990 4.775 20 0 JJADRN CC(C)CN(CC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001446068093 1066654715 /nfs/dbraw/zinc/65/47/15/1066654715.db2.gz JKOVLSLSARNDAI-UHFFFAOYSA-N 0 0 456.958 4.558 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)cs2)cc1OC ZINC001456638598 1066654722 /nfs/dbraw/zinc/65/47/22/1066654722.db2.gz FDVYWAJORGZCQZ-MRXNPFEDSA-N 0 0 455.580 4.966 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc1 ZINC001456639047 1066654741 /nfs/dbraw/zinc/65/47/41/1066654741.db2.gz HRDYKUUDWZICCD-UHFFFAOYSA-N 0 0 459.000 4.531 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456639067 1066654791 /nfs/dbraw/zinc/65/47/91/1066654791.db2.gz VWCFNZGYEWORBZ-SJKOYZFVSA-N 0 0 470.353 4.546 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCSC2)CCO1 ZINC001546084052 1066655420 /nfs/dbraw/zinc/65/54/20/1066655420.db2.gz XEWBAAVORYAAPU-GSHUGGBRSA-N 0 0 451.036 4.830 20 0 JJADRN CCc1nnnn1-c1ccccc1NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001456641571 1066655509 /nfs/dbraw/zinc/65/55/09/1066655509.db2.gz CSUHJLGCHGWMMR-UHFFFAOYSA-N 0 0 458.469 4.543 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001446071936 1066655527 /nfs/dbraw/zinc/65/55/27/1066655527.db2.gz QMAGHQISIDSRJQ-MPJJRAAHSA-N 0 0 450.048 4.803 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1Cc1ccsc1Br ZINC001492601352 1066655781 /nfs/dbraw/zinc/65/57/81/1066655781.db2.gz CFYXHSSNTNBAES-UHFFFAOYSA-N 0 0 498.450 4.960 20 0 JJADRN Cc1c(NC(=O)[C@H](OCC2CCCC2)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456644155 1066656079 /nfs/dbraw/zinc/65/60/79/1066656079.db2.gz AVWJGDLGONEKOG-HSZRJFAPSA-N 0 0 458.624 4.958 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C ZINC001492601711 1066656374 /nfs/dbraw/zinc/65/63/74/1066656374.db2.gz HJECXUOAXMVBQL-XMVJUMSVSA-N 0 0 470.658 4.571 20 0 JJADRN 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JDZHHSUSHCUSKX-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492605208 1066662629 /nfs/dbraw/zinc/66/26/29/1066662629.db2.gz TZZIWQBTGFZHJV-UXHICEINSA-N 0 0 494.615 4.966 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001492605775 1066663225 /nfs/dbraw/zinc/66/32/25/1066663225.db2.gz MMYJNHQWCVIWPR-DEOSSOPVSA-N 0 0 454.018 4.832 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC001456667072 1066663255 /nfs/dbraw/zinc/66/32/55/1066663255.db2.gz WWJSEYNJFPQKRH-UHFFFAOYSA-N 0 0 459.449 4.844 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001446130045 1066663265 /nfs/dbraw/zinc/66/32/65/1066663265.db2.gz XIBMXZCFLPQUPI-UHFFFAOYSA-N 0 0 450.004 4.979 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001456672050 1066663787 /nfs/dbraw/zinc/66/37/87/1066663787.db2.gz YDKGHNMRWFMNBJ-UHFFFAOYSA-N 0 0 450.579 4.581 20 0 JJADRN CC1CCN(c2cccc(NC(=O)COc3ccc(I)cc3)c2)CC1 ZINC001456670516 1066663827 /nfs/dbraw/zinc/66/38/27/1066663827.db2.gz QQRALXGZFPCKFG-UHFFFAOYSA-N 0 0 450.320 4.545 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCCCO)CCO1 ZINC001546084236 1066664404 /nfs/dbraw/zinc/66/44/04/1066664404.db2.gz ZWOBVSCIYCYJAG-DVECYGJZSA-N 0 0 465.038 4.856 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCCCO)CCO1 ZINC001546084237 1066664495 /nfs/dbraw/zinc/66/44/95/1066664495.db2.gz ZWOBVSCIYCYJAG-NTKDMRAZSA-N 0 0 465.038 4.856 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492606527 1066664452 /nfs/dbraw/zinc/66/44/52/1066664452.db2.gz JTGOVSGPDYERAV-HSZRJFAPSA-N 0 0 463.626 4.912 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cc(F)c(OC)cc1F)NC(=O)OC(C)(C)C ZINC001446141476 1066664587 /nfs/dbraw/zinc/66/45/87/1066664587.db2.gz QIZDOHAERQNNHD-KRWDZBQOSA-N 0 0 450.482 4.967 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001446139238 1066664630 /nfs/dbraw/zinc/66/46/30/1066664630.db2.gz GIRKISNYJXDTFK-RLWLMLJZSA-N 0 0 456.590 4.749 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1OC(F)F ZINC001456675974 1066664991 /nfs/dbraw/zinc/66/49/91/1066664991.db2.gz WSXRLVWHYCPQNL-GASCZTMLSA-N 0 0 452.523 4.515 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492606974 1066665065 /nfs/dbraw/zinc/66/50/65/1066665065.db2.gz ZFMRBJZTVGGFFE-JOCHJYFZSA-N 0 0 494.615 4.595 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001446143293 1066665135 /nfs/dbraw/zinc/66/51/35/1066665135.db2.gz MSJSRZGPIUXPMV-CVDCTZTESA-N 0 0 452.599 4.843 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001446143296 1066665196 /nfs/dbraw/zinc/66/51/96/1066665196.db2.gz MSJSRZGPIUXPMV-XXBNENTESA-N 0 0 452.599 4.843 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCOC(C)C)CC2)c1 ZINC001492607068 1066665212 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VHYPITNYGVWMIY-UHFFFAOYSA-N 0 0 477.943 4.979 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001492607382 1066666462 /nfs/dbraw/zinc/66/64/62/1066666462.db2.gz ODYATXZFZBUUDQ-NRFANRHFSA-N 0 0 498.672 4.800 20 0 JJADRN Cc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC001446146104 1066666483 /nfs/dbraw/zinc/66/64/83/1066666483.db2.gz OSDZFZDZYFXOMN-YADHBBJMSA-N 0 0 455.618 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC(OCc3ccccc3F)CC2)c2ccccc21 ZINC001446151947 1066666572 /nfs/dbraw/zinc/66/65/72/1066666572.db2.gz IKTRQIAUQGYMSG-NRFANRHFSA-N 0 0 454.542 4.872 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N(C)CCOc1ccc(Cl)cc1)NC(=O)OC(C)(C)C ZINC001545981791 1066667367 /nfs/dbraw/zinc/66/73/67/1066667367.db2.gz BMVCKZJQYMEZGR-GOSISDBHSA-N 0 0 464.010 4.627 20 0 JJADRN COc1cc(CCNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1C ZINC001456689507 1066667427 /nfs/dbraw/zinc/66/74/27/1066667427.db2.gz HWWZRJFWXIDUJN-HSZRJFAPSA-N 0 0 450.966 4.877 20 0 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CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001492608153 1066668565 /nfs/dbraw/zinc/66/85/65/1066668565.db2.gz SKRRHLQGVWZLEU-UHFFFAOYSA-N 0 0 485.057 4.820 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC001456696108 1066668682 /nfs/dbraw/zinc/66/86/82/1066668682.db2.gz CADIFXZXPXUVLA-SQJMNOBHSA-N 0 0 454.636 4.781 20 0 JJADRN CC(C)C[C@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001456695896 1066668746 /nfs/dbraw/zinc/66/87/46/1066668746.db2.gz AZUBJDMHFIPZJC-QHCPKHFHSA-N 0 0 452.576 4.724 20 0 JJADRN CCCN(C(=O)CCCNC(=O)c1ccsc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456699136 1066669375 /nfs/dbraw/zinc/66/93/75/1066669375.db2.gz KQYYPPPEQYGABF-HSZRJFAPSA-N 0 0 457.546 4.960 20 0 JJADRN COc1ccc(CCCCC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC ZINC001456696483 1066669519 /nfs/dbraw/zinc/66/95/19/1066669519.db2.gz ZEHGFJWJDGXANH-GOSISDBHSA-N 0 0 458.986 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCOCc1ccc(Cl)cc1)c1ccc(F)cc1F 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CNCGCVAWZWSXRK-UHFFFAOYSA-N 0 0 452.308 4.650 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H](C)Oc2ccccc2Br)c(SC)cc1OC ZINC001456704322 1066670781 /nfs/dbraw/zinc/67/07/81/1066670781.db2.gz OCDOPOJOKYUSPD-ZDUSSCGKSA-N 0 0 454.386 4.614 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001492609434 1066671096 /nfs/dbraw/zinc/67/10/96/1066671096.db2.gz ULHVGPMPKSVDFT-GOSISDBHSA-N 0 0 490.357 4.671 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001456707854 1066671396 /nfs/dbraw/zinc/67/13/96/1066671396.db2.gz ATCJEXCHNUQFQH-CQSZACIVSA-N 0 0 458.335 4.649 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001456706855 1066671541 /nfs/dbraw/zinc/67/15/41/1066671541.db2.gz MUJOPTHZPWMGHD-AREMUKBSSA-N 0 0 459.631 4.552 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)C(C)(C)NC(=O)Nc1ccccc1)C2 ZINC001456711646 1066672238 /nfs/dbraw/zinc/67/22/38/1066672238.db2.gz LLXUVIPRQLGFMQ-UHFFFAOYSA-N 0 0 452.555 4.519 20 0 JJADRN CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1 ZINC001446190929 1066672642 /nfs/dbraw/zinc/67/26/42/1066672642.db2.gz IYSJOKJBPFZLSR-UHFFFAOYSA-N 0 0 454.548 4.846 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545982412 1066672679 /nfs/dbraw/zinc/67/26/79/1066672679.db2.gz LMLSMPSMNRGMLK-WOJBJXKFSA-N 0 0 487.620 4.988 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2)C1 ZINC001492610821 1066672739 /nfs/dbraw/zinc/67/27/39/1066672739.db2.gz IPESKVLVQCNCDB-OAQYLSRUSA-N 0 0 469.605 4.931 20 0 JJADRN Cc1nc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)sc1C ZINC001492610841 1066673297 /nfs/dbraw/zinc/67/32/97/1066673297.db2.gz JFSWYGMJKCIVST-IBGZPJMESA-N 0 0 472.659 4.671 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cc2)C1 ZINC001492611083 1066673304 /nfs/dbraw/zinc/67/33/04/1066673304.db2.gz RGBFTLQWACRFEC-HXUWFJFHSA-N 0 0 455.578 4.736 20 0 JJADRN CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)c2ccc(F)cc2)C1 ZINC001492611500 1066674170 /nfs/dbraw/zinc/67/41/70/1066674170.db2.gz CZHOAXGAFIJLFR-MHZLTWQESA-N 0 0 499.631 4.596 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)c2ccccc2)C1 ZINC001492611613 1066674264 /nfs/dbraw/zinc/67/42/64/1066674264.db2.gz GZQQIHODQKDNND-IFMALSPDSA-N 0 0 467.614 4.547 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)n1 ZINC001456726424 1066674483 /nfs/dbraw/zinc/67/44/83/1066674483.db2.gz NCVXEQLGEHBYTR-QWFCFKBJSA-N 0 0 456.587 4.677 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCO[C@@H](C)C3)cc2)c1C ZINC001446201260 1066675022 /nfs/dbraw/zinc/67/50/22/1066675022.db2.gz YJSMBYAIXIIQIQ-JTSKRJEESA-N 0 0 458.624 4.699 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001456727228 1066675075 /nfs/dbraw/zinc/67/50/75/1066675075.db2.gz MHQIVFFFVKTACP-LSDHHAIUSA-N 0 0 454.267 4.541 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001492613311 1066675600 /nfs/dbraw/zinc/67/56/00/1066675600.db2.gz POEFMGHQPFUDHB-OAQYLSRUSA-N 0 0 469.630 4.886 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001492613354 1066675604 /nfs/dbraw/zinc/67/56/04/1066675604.db2.gz QODHHIVLNAPFPT-UHFFFAOYSA-N 0 0 456.484 4.547 20 0 JJADRN CCCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456731149 1066675845 /nfs/dbraw/zinc/67/58/45/1066675845.db2.gz NWRGVDWFLCDNLD-XMMPIXPASA-N 0 0 454.567 4.965 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1 ZINC001456731212 1066675849 /nfs/dbraw/zinc/67/58/49/1066675849.db2.gz ZBZSHCBLPZZENA-HJOGWXRNSA-N 0 0 456.627 4.723 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)cs2)cc1 ZINC001456730503 1066675869 /nfs/dbraw/zinc/67/58/69/1066675869.db2.gz BGNKQAYLZRRPBP-IBGZPJMESA-N 0 0 452.532 4.521 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001492613644 1066676016 /nfs/dbraw/zinc/67/60/16/1066676016.db2.gz CWCIPZDFFZDGRM-GASCZTMLSA-N 0 0 498.575 4.729 20 0 JJADRN CCc1c(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)nnn1-c1cccc(Cl)c1 ZINC001456732593 1066676736 /nfs/dbraw/zinc/67/67/36/1066676736.db2.gz GCGHWHJKFOMZPP-UHFFFAOYSA-N 0 0 456.984 4.976 20 0 JJADRN Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CCC(=O)NC2CCCCC2)cc1 ZINC001492613802 1066677028 /nfs/dbraw/zinc/67/70/28/1066677028.db2.gz IYDLYGLKMZJYSQ-UHFFFAOYSA-N 0 0 453.656 4.874 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001492613761 1066677031 /nfs/dbraw/zinc/67/70/31/1066677031.db2.gz HOVDECZZMNSQQW-YOSAUDMPSA-N 0 0 478.559 4.803 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2CCc2cc(C(F)(F)F)ccn2)cc1C ZINC001492613840 1066677093 /nfs/dbraw/zinc/67/70/93/1066677093.db2.gz KDFALJYTPSLEKK-UHFFFAOYSA-N 0 0 484.526 4.960 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)C[C@H]2CCC[C@H]2O)c1=S ZINC001446238762 1066677316 /nfs/dbraw/zinc/67/73/16/1066677316.db2.gz SLVPGBFMJHURCB-IEBWSBKVSA-N 0 0 451.036 4.544 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)Nc1cnc(Br)cn1 ZINC001456735270 1066677450 /nfs/dbraw/zinc/67/74/50/1066677450.db2.gz XLEDMHKUFSRZGL-UHFFFAOYSA-N 0 0 453.056 4.592 20 0 JJADRN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001456734459 1066677471 /nfs/dbraw/zinc/67/74/71/1066677471.db2.gz VNIFDXCNMKKDAM-QGZVFWFLSA-N 0 0 456.562 4.688 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cc1 ZINC001446241369 1066678110 /nfs/dbraw/zinc/67/81/10/1066678110.db2.gz NFJBPGJOKVDFJJ-ISKFKSNPSA-N 0 0 480.605 4.500 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOCC2CCOCC2)CC1 ZINC001492614260 1066678453 /nfs/dbraw/zinc/67/84/53/1066678453.db2.gz AINWLQYIYUYLQI-FQEVSTJZSA-N 0 0 458.578 4.547 20 0 JJADRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC001446245174 1066678908 /nfs/dbraw/zinc/67/89/08/1066678908.db2.gz VTMAZNATLWKCLD-XMSQKQJNSA-N 0 0 454.636 4.518 20 0 JJADRN COc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c(OCCOC(C)C)c1 ZINC001456739672 1066678926 /nfs/dbraw/zinc/67/89/26/1066678926.db2.gz TXIPSJNVULKGSF-UHFFFAOYSA-N 0 0 459.593 4.992 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCNC(=O)c1ccco1 ZINC001492614469 1066679106 /nfs/dbraw/zinc/67/91/06/1066679106.db2.gz GHZZWIILFOKQAD-LJQANCHMSA-N 0 0 484.000 4.868 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492614410 1066679129 /nfs/dbraw/zinc/67/91/29/1066679129.db2.gz DVPBZXGFUOPINS-KRWDZBQOSA-N 0 0 455.500 4.598 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001492614794 1066679782 /nfs/dbraw/zinc/67/97/82/1066679782.db2.gz PRIRFGCMAPZLCM-INIZCTEOSA-N 0 0 459.472 4.758 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCc1ccc2ccccc2c1O ZINC001446253042 1066680304 /nfs/dbraw/zinc/68/03/04/1066680304.db2.gz CZDRHNTWELITEH-OAQYLSRUSA-N 0 0 456.336 4.613 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001492615282 1066680498 /nfs/dbraw/zinc/68/04/98/1066680498.db2.gz HRMBEIYLEOIZHE-UHFFFAOYSA-N 0 0 477.300 4.781 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)NCC3(c4ccccc4Br)CC3)n2)cc1F ZINC001456749223 1066680601 /nfs/dbraw/zinc/68/06/01/1066680601.db2.gz ONPZYTICUCPDPR-UHFFFAOYSA-N 0 0 458.331 4.727 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545982944 1066681210 /nfs/dbraw/zinc/68/12/10/1066681210.db2.gz ULPSYCKMZBOGQG-TZIWHRDSSA-N 0 0 455.603 4.507 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2ccccc2Br)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001456753482 1066681264 /nfs/dbraw/zinc/68/12/64/1066681264.db2.gz XXEYRJYIHHIYQQ-QAPCUYQASA-N 0 0 453.421 4.782 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001456753469 1066681274 /nfs/dbraw/zinc/68/12/74/1066681274.db2.gz XXEYRJYIHHIYQQ-MAUKXSAKSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1cc(-c2nnc(N3CC=C(C)CC3)n2CCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001492615440 1066681285 /nfs/dbraw/zinc/68/12/85/1066681285.db2.gz MTNUPOUFSFHITA-UHFFFAOYSA-N 0 0 462.598 4.825 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001456750414 1066681383 /nfs/dbraw/zinc/68/13/83/1066681383.db2.gz ROCKZCNJIFNCLA-SFHVURJKSA-N 0 0 457.537 4.975 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Br)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492615555 1066681743 /nfs/dbraw/zinc/68/17/43/1066681743.db2.gz QPLLHZCFRXOABA-QHCPKHFHSA-N 0 0 471.399 4.982 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC001446270866 1066681778 /nfs/dbraw/zinc/68/17/78/1066681778.db2.gz BQOSLDLKKCPMCM-BQQUOAEZSA-N 0 0 458.558 4.538 20 0 JJADRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)s1 ZINC001456760736 1066681874 /nfs/dbraw/zinc/68/18/74/1066681874.db2.gz MSLDFZHCUGVRGJ-QXMHVHEDSA-N 0 0 451.636 4.884 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)CSc1nc2ccccc2o1 ZINC001446270917 1066682466 /nfs/dbraw/zinc/68/24/66/1066682466.db2.gz BZNUPXRCNCSRIU-UHFFFAOYSA-N 0 0 450.314 4.890 20 0 JJADRN Cc1cc(NC(=O)c2cc(I)ccc2F)ccc1OCC(F)(F)F ZINC001456763474 1066682654 /nfs/dbraw/zinc/68/26/54/1066682654.db2.gz CYNSEXPLNUTTNY-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN Cc1c(Cl)c(C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)sc1S(N)(=O)=O ZINC001446275529 1066682972 /nfs/dbraw/zinc/68/29/72/1066682972.db2.gz QCJKCFWCLZXSFJ-GFCCVEGCSA-N 0 0 452.960 4.654 20 0 JJADRN CC1=CCN(c2nnc(-c3ccccc3Br)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492615884 1066683026 /nfs/dbraw/zinc/68/30/26/1066683026.db2.gz BRLLADCUCXUMQT-UHFFFAOYSA-N 0 0 476.419 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCc2nccnc2C)cc1Br ZINC001492615915 1066683083 /nfs/dbraw/zinc/68/30/83/1066683083.db2.gz DEFRGRCBFQGVBA-UHFFFAOYSA-N 0 0 453.388 4.514 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001492616181 1066683846 /nfs/dbraw/zinc/68/38/46/1066683846.db2.gz NZAQLIYBQHLKOP-UHFFFAOYSA-N 0 0 471.005 4.717 20 0 JJADRN COc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3SCc3cccs3)C2=O)cc1 ZINC001456767940 1066683986 /nfs/dbraw/zinc/68/39/86/1066683986.db2.gz CVYYACBHAHQTNK-OAQYLSRUSA-N 0 0 452.601 4.580 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1I ZINC001456767573 1066684034 /nfs/dbraw/zinc/68/40/34/1066684034.db2.gz ZINBMVATZNNCJV-MRXNPFEDSA-N 0 0 453.368 4.774 20 0 JJADRN Cc1cccc(-c2nnc(N3CC=C(C)CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001492617076 1066684408 /nfs/dbraw/zinc/68/44/08/1066684408.db2.gz VCDGTJDBLDGMQZ-OAQYLSRUSA-N 0 0 466.630 4.985 20 0 JJADRN COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)C2=O)cc1 ZINC001456768983 1066684479 /nfs/dbraw/zinc/68/44/79/1066684479.db2.gz GVTZPWDGDACYAW-LJQANCHMSA-N 0 0 458.436 4.505 20 0 JJADRN COC(=O)CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1cccc(C)n1 ZINC001456770177 1066685334 /nfs/dbraw/zinc/68/53/34/1066685334.db2.gz QAFGMELMLRLLGC-UHFFFAOYSA-N 0 0 450.438 4.837 20 0 JJADRN CC(C)c1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456771081 1066685382 /nfs/dbraw/zinc/68/53/82/1066685382.db2.gz QEZIBWHLJLFJFR-OAQYLSRUSA-N 0 0 454.933 4.666 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C(F)F)c2)CC1 ZINC001492617589 1066685278 /nfs/dbraw/zinc/68/52/78/1066685278.db2.gz JXIDOZMPDSBWJW-FQEVSTJZSA-N 0 0 489.567 4.729 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001456770979 1066685506 /nfs/dbraw/zinc/68/55/06/1066685506.db2.gz LXDKUKFBCHNOSK-GFCCVEGCSA-N 0 0 454.162 4.689 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccsc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001492618882 1066685959 /nfs/dbraw/zinc/68/59/59/1066685959.db2.gz ABKRBLXKQDEJQJ-UHFFFAOYSA-N 0 0 456.925 4.541 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccnc(N2CCCCCC2)c1 ZINC001446288461 1066686001 /nfs/dbraw/zinc/68/60/01/1066686001.db2.gz NHCXUZBIFQLUIV-VWLOTQADSA-N 0 0 456.590 4.640 20 0 JJADRN C[C@@]1(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001446291829 1066686080 /nfs/dbraw/zinc/68/60/80/1066686080.db2.gz IXDYLHCTQJQPPM-NRFANRHFSA-N 0 0 454.304 4.504 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)OCc2cccc(OC)c2OC(F)F)CC[C@H]1c1ccc(C)o1 ZINC001456771898 1066686196 /nfs/dbraw/zinc/68/61/96/1066686196.db2.gz YWFYNCNCUBYQIF-HOTGVXAUSA-N 0 0 453.438 4.603 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC001456771476 1066686281 /nfs/dbraw/zinc/68/62/81/1066686281.db2.gz RLALJDOLKGPEJF-FQEVSTJZSA-N 0 0 455.580 4.760 20 0 JJADRN Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001492618964 1066686518 /nfs/dbraw/zinc/68/65/18/1066686518.db2.gz CVBLWTHMWOPANG-NRFANRHFSA-N 0 0 469.630 4.825 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2ccc(C)c(Br)c2)c(Br)cc1F ZINC001456773984 1066687127 /nfs/dbraw/zinc/68/71/27/1066687127.db2.gz NUSCOLCSDDRSNT-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c1 ZINC001456776353 1066687703 /nfs/dbraw/zinc/68/77/03/1066687703.db2.gz SMVTWTTUVPGBEO-UHFFFAOYSA-N 0 0 455.514 4.906 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2nccs2)CC1 ZINC001492619750 1066688161 /nfs/dbraw/zinc/68/81/61/1066688161.db2.gz IFJCLBBTJCAFEW-SFHVURJKSA-N 0 0 458.632 4.596 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545984045 1066688342 /nfs/dbraw/zinc/68/83/42/1066688342.db2.gz CDJHCTQFQCWMQB-NHCUHLMSSA-N 0 0 473.593 4.566 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)CCC(=O)c2ccc(Cl)cc2)c1C ZINC001446306838 1066689015 /nfs/dbraw/zinc/68/90/15/1066689015.db2.gz DBZSUHBIDREYGV-NRFANRHFSA-N 0 0 456.970 4.566 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1(C)C ZINC001456782207 1066689291 /nfs/dbraw/zinc/68/92/91/1066689291.db2.gz MHGZECJEKZFSLT-IVAOSVALSA-N 0 0 465.034 4.953 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC001446319964 1066689634 /nfs/dbraw/zinc/68/96/34/1066689634.db2.gz MHEOQYMSAGPICI-OAQYLSRUSA-N 0 0 454.983 4.770 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCCNC(=O)OC(C)(C)C)C2)c1 ZINC001492620409 1066689870 /nfs/dbraw/zinc/68/98/70/1066689870.db2.gz FDXDBYQVVXCXPK-QFIPXVFZSA-N 0 0 493.656 4.905 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001456786720 1066690056 /nfs/dbraw/zinc/69/00/56/1066690056.db2.gz KZOKJAGITUUXHC-INIZCTEOSA-N 0 0 454.514 4.915 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492620355 1066689979 /nfs/dbraw/zinc/68/99/79/1066689979.db2.gz CXOOAKVJJGIXRK-MRXNPFEDSA-N 0 0 467.927 4.928 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC001456787589 1066690927 /nfs/dbraw/zinc/69/09/27/1066690927.db2.gz OEVIXUKEGFMMSM-FQEVSTJZSA-N 0 0 456.589 4.731 20 0 JJADRN CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)cc1 ZINC001446329774 1066691156 /nfs/dbraw/zinc/69/11/56/1066691156.db2.gz DCZQJWRWMSNIMA-UHFFFAOYSA-N 0 0 455.387 4.999 20 0 JJADRN CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1nc2ccccc2s1 ZINC001446332027 1066692137 /nfs/dbraw/zinc/69/21/37/1066692137.db2.gz HJNKRYUBTIBAHR-UHFFFAOYSA-N 0 0 455.412 4.902 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCCOC(C)C)C2)c1 ZINC001492621355 1066692052 /nfs/dbraw/zinc/69/20/52/1066692052.db2.gz XLYBSGFXXZUWOP-RBBKRZOGSA-N 0 0 470.593 4.719 20 0 JJADRN CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC001456795116 1066692093 /nfs/dbraw/zinc/69/20/93/1066692093.db2.gz AXINYOJVOYUNTP-UHFFFAOYSA-N 0 0 456.340 4.801 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCCOC(C)C)C2)c1 ZINC001492621356 1066692116 /nfs/dbraw/zinc/69/21/16/1066692116.db2.gz XLYBSGFXXZUWOP-UNMCSNQZSA-N 0 0 470.593 4.719 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCSCC(C)C)C2)c1 ZINC001492621494 1066692129 /nfs/dbraw/zinc/69/21/29/1066692129.db2.gz ZHXQHOSYYQFTEV-SFHVURJKSA-N 0 0 492.491 4.771 20 0 JJADRN CC(C)C[C@@H](NC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001446338424 1066692841 /nfs/dbraw/zinc/69/28/41/1066692841.db2.gz SHDVONWHAIXITD-SECOEOQKSA-N 0 0 452.515 4.639 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CNC(=O)c4cccs4)n3CCCC(C)(C)C)CC2)c1 ZINC001492622045 1066693504 /nfs/dbraw/zinc/69/35/04/1066693504.db2.gz GQSIVHLFCLTMIK-UHFFFAOYSA-N 0 0 483.686 4.517 20 0 JJADRN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446338935 1066693585 /nfs/dbraw/zinc/69/35/85/1066693585.db2.gz NOLNAPRWOVFDOY-HOYKHHGWSA-N 0 0 452.913 4.800 20 0 JJADRN Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCOCCC(C)C)CCO2)c1 ZINC001492622752 1066694169 /nfs/dbraw/zinc/69/41/69/1066694169.db2.gz QQYMEZJJRVANOX-RUZDIDTESA-N 0 0 494.684 4.716 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1F ZINC001545984709 1066694267 /nfs/dbraw/zinc/69/42/67/1066694267.db2.gz NXVKYYHJYSEWAO-QGZVFWFLSA-N 0 0 460.985 4.956 20 0 JJADRN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001456802206 1066694294 /nfs/dbraw/zinc/69/42/94/1066694294.db2.gz KKERRXWIDZMAML-KAYWLYCHSA-N 0 0 455.602 4.789 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)/C=C\c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001456802868 1066694330 /nfs/dbraw/zinc/69/43/30/1066694330.db2.gz PNVPMJTWFKNLQU-KKTNHOPESA-N 0 0 453.391 4.515 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC4CCCC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492622912 1066694683 /nfs/dbraw/zinc/69/46/83/1066694683.db2.gz UVZJOFOMGJUOFX-XZOQPEGZSA-N 0 0 499.704 4.907 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CCOc4ccccc4)n3CCSCC(F)(F)F)C2)c1 ZINC001492622916 1066694784 /nfs/dbraw/zinc/69/47/84/1066694784.db2.gz UWJSVRYAACYWCA-LJQANCHMSA-N 0 0 494.587 4.542 20 0 JJADRN Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1OCC1CCOCC1 ZINC001456804488 1066695197 /nfs/dbraw/zinc/69/51/97/1066695197.db2.gz APQNDHBCHXZDRR-UHFFFAOYSA-N 0 0 453.514 4.869 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C(C)C ZINC001446355014 1066695659 /nfs/dbraw/zinc/69/56/59/1066695659.db2.gz XKEZYDFTTIAULL-UHFFFAOYSA-N 0 0 458.559 4.855 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2Cc2cc(F)cc(OC)c2)CCO1 ZINC001546085028 1066695743 /nfs/dbraw/zinc/69/57/43/1066695743.db2.gz CMAXTPHDVNDXJE-OAQYLSRUSA-N 0 0 495.418 4.970 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001456804569 1066695781 /nfs/dbraw/zinc/69/57/81/1066695781.db2.gz AZRMUGGRLFZYIK-DVECYGJZSA-N 0 0 458.599 4.922 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)c2cccc(O)c2)c1 ZINC001492623658 1066696195 /nfs/dbraw/zinc/69/61/95/1066696195.db2.gz KITJIBDDERBGPN-OAHLLOKOSA-N 0 0 487.427 4.877 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001492623471 1066696212 /nfs/dbraw/zinc/69/62/12/1066696212.db2.gz FAILJEKIXLGIMF-HXUWFJFHSA-N 0 0 474.556 4.536 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001492624345 1066696284 /nfs/dbraw/zinc/69/62/84/1066696284.db2.gz SHDHIIBXAZMPSZ-GPMSIDNRSA-N 0 0 482.938 4.911 20 0 JJADRN COC(=O)C1(CCCCNC(=O)c2ccccc2SCc2cn3ccccc3n2)CCC1 ZINC001456806224 1066696640 /nfs/dbraw/zinc/69/66/40/1066696640.db2.gz FFZCILVKHYCEFC-UHFFFAOYSA-N 0 0 451.592 4.870 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc4c(o3)c(F)ccc4C)CC2)c(Cl)c1 ZINC001456807396 1066697106 /nfs/dbraw/zinc/69/71/06/1066697106.db2.gz ZYNJTCCFBBGEBE-MRXNPFEDSA-N 0 0 458.917 4.594 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(C)cc1 ZINC001456807145 1066697119 /nfs/dbraw/zinc/69/71/19/1066697119.db2.gz IAAIPXBBSYYDKE-NRFANRHFSA-N 0 0 450.970 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c2ccccc21 ZINC001456808746 1066697125 /nfs/dbraw/zinc/69/71/25/1066697125.db2.gz IPCOBRYEEZWOQT-DIJFTKHXSA-N 0 0 471.598 4.572 20 0 JJADRN Cc1cnn(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(OCCC(C)C)CC2)c1 ZINC001492626416 1066697302 /nfs/dbraw/zinc/69/73/02/1066697302.db2.gz NNTCSDAFDMYIGN-UHFFFAOYSA-N 0 0 471.049 4.759 20 0 JJADRN Cc1cnn(C[C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCSCC(C)C)CCO2)c1 ZINC001492624795 1066697318 /nfs/dbraw/zinc/69/73/18/1066697318.db2.gz PLVIRHKVVDHGLS-HXUWFJFHSA-N 0 0 489.089 4.788 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@H](C)c2ccco2)c1 ZINC001492626438 1066697346 /nfs/dbraw/zinc/69/73/46/1066697346.db2.gz BYKKVAIXONOZHB-OAHLLOKOSA-N 0 0 473.350 4.842 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)c2ccccc2N(C)C(=O)c2cccs2)n(-c2ccccc2)n1 ZINC001446378629 1066698429 /nfs/dbraw/zinc/69/84/29/1066698429.db2.gz KSNPUOUDQABCEC-GOSISDBHSA-N 0 0 458.587 4.880 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NC(Cc1ccccc1F)Cc1ccccc1F)CC1CC1 ZINC001446379612 1066698440 /nfs/dbraw/zinc/69/84/40/1066698440.db2.gz QUTXNWHMMJYCOM-UHFFFAOYSA-N 0 0 458.549 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc(-c3cccc(Br)c3)n1)C2 ZINC001456812441 1066698573 /nfs/dbraw/zinc/69/85/73/1066698573.db2.gz YONZGFFQCXBHPN-KURKYZTESA-N 0 0 492.439 4.772 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(NC(=O)Nc3ccccc3)cc1)C2 ZINC001456810596 1066698595 /nfs/dbraw/zinc/69/85/95/1066698595.db2.gz PLZURZXTXNSPPK-NJYVYQBISA-N 0 0 450.539 4.601 20 0 JJADRN COc1cc2c(cc1CNC(=O)CSc1nccn1-c1cccc(Cl)c1C)O[C@@H](C)C2 ZINC001446378814 1066698601 /nfs/dbraw/zinc/69/86/01/1066698601.db2.gz MGCSSNQLNXTMOC-AWEZNQCLSA-N 0 0 457.983 4.575 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)C[C@H](C)C2)c1 ZINC001492627106 1066698687 /nfs/dbraw/zinc/69/86/87/1066698687.db2.gz MWVXZSJJGXTYQH-GASCZTMLSA-N 0 0 461.383 4.534 20 0 JJADRN Cc1cnn(CCn2c(CCc3ccccc3)nnc2N(C)Cc2csc(Br)c2)c1 ZINC001492627877 1066698773 /nfs/dbraw/zinc/69/87/73/1066698773.db2.gz NPXGCTZMDQPOQY-UHFFFAOYSA-N 0 0 485.455 4.729 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Cc1nnc(-c2ccccc2)o1)C(F)(F)F ZINC001446380966 1066699077 /nfs/dbraw/zinc/69/90/77/1066699077.db2.gz HUSQTJRPIURQJE-NRFANRHFSA-N 0 0 455.440 4.501 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c(C)cc1Br ZINC001456813795 1066699295 /nfs/dbraw/zinc/69/92/95/1066699295.db2.gz JPTHLJCXTNFJJM-HXUWFJFHSA-N 0 0 457.368 4.634 20 0 JJADRN O=C(c1cc(F)ccc1Sc1ccc(Cl)cc1)N(CCO)CCOCC(F)(F)F ZINC001446389848 1066700363 /nfs/dbraw/zinc/70/03/63/1066700363.db2.gz RKBAOQAFOSIXKW-UHFFFAOYSA-N 0 0 451.869 4.644 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001446388880 1066700393 /nfs/dbraw/zinc/70/03/93/1066700393.db2.gz IGVKNRWVAFGUSW-UHFFFAOYSA-N 0 0 453.337 4.569 20 0 JJADRN Cc1ccc(SC2CCCC2)c(C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC001456820008 1066700612 /nfs/dbraw/zinc/70/06/12/1066700612.db2.gz VNONNOCTFRQMAD-UHFFFAOYSA-N 0 0 458.649 4.873 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001456819114 1066700628 /nfs/dbraw/zinc/70/06/28/1066700628.db2.gz JPJGLAMREWWKMY-CQSZACIVSA-N 0 0 458.183 4.920 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1)c1ccccc1 ZINC001456817960 1066700694 /nfs/dbraw/zinc/70/06/94/1066700694.db2.gz KNYOAPXWXNOABU-QGZVFWFLSA-N 0 0 458.436 4.880 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(-c3ccc(Br)cc3)nnc1N(C)CC(F)(F)F)CCC2 ZINC001492628936 1066700831 /nfs/dbraw/zinc/70/08/31/1066700831.db2.gz PSFJCRPLNCMBTQ-OAHLLOKOSA-N 0 0 483.336 4.789 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001446390188 1066700880 /nfs/dbraw/zinc/70/08/80/1066700880.db2.gz ZXQVMQKQFCZKND-QVKFZJNVSA-N 0 0 453.377 4.822 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628838 1066700949 /nfs/dbraw/zinc/70/09/49/1066700949.db2.gz NZDGAFGKQPNZGV-IRLDBZIGSA-N 0 0 499.704 4.689 20 0 JJADRN CCCO[C@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1C ZINC001456819777 1066701302 /nfs/dbraw/zinc/70/13/02/1066701302.db2.gz LYPCNWGNJUGSLQ-UPVQGACJSA-N 0 0 454.542 4.557 20 0 JJADRN COc1ccccc1CN(CCO)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C ZINC001446392609 1066701432 /nfs/dbraw/zinc/70/14/32/1066701432.db2.gz OHHSCPXHIPWWCT-UHFFFAOYSA-N 0 0 450.535 4.830 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492629510 1066701525 /nfs/dbraw/zinc/70/15/25/1066701525.db2.gz CFWOKJGRBZDHKT-SJORKVTESA-N 0 0 487.695 4.790 20 0 JJADRN O=C(c1c(Cl)ccnc1Br)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446395710 1066701490 /nfs/dbraw/zinc/70/14/90/1066701490.db2.gz NTUNAKKWPKNUFA-QMMMGPOBSA-N 0 0 454.699 4.993 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)CSc3nccn3-c3cccc(Cl)c3C)c2)n1C ZINC001446392376 1066701496 /nfs/dbraw/zinc/70/14/96/1066701496.db2.gz LHZLHCLEKFNLAN-UHFFFAOYSA-N 0 0 452.971 4.669 20 0 JJADRN O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c2)o1 ZINC001446395440 1066701527 /nfs/dbraw/zinc/70/15/27/1066701527.db2.gz NNJJZVJIERAAIF-CYBMUJFWSA-N 0 0 450.438 4.960 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2occc2Br)c2ccc(OC)cc2)n1 ZINC001456827614 1066701696 /nfs/dbraw/zinc/70/16/96/1066701696.db2.gz AQCQPSUYPZJZSZ-UHFFFAOYSA-N 0 0 451.298 4.662 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001492629742 1066702012 /nfs/dbraw/zinc/70/20/12/1066702012.db2.gz HFFDCEPXHJJYFA-PVAVHDDUSA-N 0 0 487.651 4.518 20 0 JJADRN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446397306 1066702052 /nfs/dbraw/zinc/70/20/52/1066702052.db2.gz OUUFTTZUVLYTKQ-VIFPVBQESA-N 0 0 459.291 4.821 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546085115 1066702321 /nfs/dbraw/zinc/70/23/21/1066702321.db2.gz DZKOLOYQYPUAFQ-PGRDOPGGSA-N 0 0 483.426 4.913 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456828291 1066702348 /nfs/dbraw/zinc/70/23/48/1066702348.db2.gz LEAAMNQLFJOZDK-IPMKNSEASA-N 0 0 455.640 4.610 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545985381 1066702421 /nfs/dbraw/zinc/70/24/21/1066702421.db2.gz ZSNXMQAKXWCJRM-JTHBVZDNSA-N 0 0 499.656 4.653 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001446402051 1066702653 /nfs/dbraw/zinc/70/26/53/1066702653.db2.gz WOSAFUWRRSCXKY-UHFFFAOYSA-N 0 0 450.992 4.817 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ccccc2)CCO1 ZINC001546085121 1066702967 /nfs/dbraw/zinc/70/29/67/1066702967.db2.gz DZQSUCSZNSKNPD-OPAMFIHVSA-N 0 0 458.404 4.845 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492630006 1066702926 /nfs/dbraw/zinc/70/29/26/1066702926.db2.gz LSYYGGXFCUZWGF-PLMTUMEDSA-N 0 0 473.618 4.987 20 0 JJADRN Cc1c(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1 ZINC001446419365 1066703144 /nfs/dbraw/zinc/70/31/44/1066703144.db2.gz FPOCPUOMTRWYFJ-UHFFFAOYSA-N 0 0 451.527 4.536 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)cc21 ZINC001456837054 1066703938 /nfs/dbraw/zinc/70/39/38/1066703938.db2.gz HATJOVKHLUAKQN-UHFFFAOYSA-N 0 0 457.456 4.544 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2cc(C)c(Cl)cc2I)no1 ZINC001456836530 1066703966 /nfs/dbraw/zinc/70/39/66/1066703966.db2.gz YDQWYMCNSVKSPU-CQSZACIVSA-N 0 0 459.715 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)ccc2C1 ZINC001446426025 1066704009 /nfs/dbraw/zinc/70/40/09/1066704009.db2.gz NGAZRGKNYDIWDV-UHFFFAOYSA-N 0 0 458.465 4.813 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)NC[C@H](c4ccccc4)C(C)(C)CO)c3)cn2c1 ZINC001446429102 1066704559 /nfs/dbraw/zinc/70/45/59/1066704559.db2.gz RVQBDGBYZMQIIS-RUZDIDTESA-N 0 0 457.574 4.754 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H](c4ccccc4)C(C)(C)CO)c3)cn2c1 ZINC001446429105 1066704670 /nfs/dbraw/zinc/70/46/70/1066704670.db2.gz RVQBDGBYZMQIIS-VWLOTQADSA-N 0 0 457.574 4.754 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546085201 1066704633 /nfs/dbraw/zinc/70/46/33/1066704633.db2.gz GQULMULJHODGAG-AUSIDOKSSA-N 0 0 495.462 4.783 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)s1 ZINC001492630462 1066705191 /nfs/dbraw/zinc/70/51/91/1066705191.db2.gz UVOHSKYKPAIKEQ-WBVHZDCISA-N 0 0 467.574 4.552 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(CO)CC2)s1 ZINC001492630477 1066705204 /nfs/dbraw/zinc/70/52/04/1066705204.db2.gz VCFDOCOZVOLESB-HNNXBMFYSA-N 0 0 490.471 4.793 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCc4cc(Br)ccc43)cc21 ZINC001446430018 1066705124 /nfs/dbraw/zinc/70/51/24/1066705124.db2.gz FNEVVJWYSTYZHE-UHFFFAOYSA-N 0 0 450.130 4.904 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)s1 ZINC001492630580 1066705690 /nfs/dbraw/zinc/70/56/90/1066705690.db2.gz XDENDJUEIMMFTA-LSDHHAIUSA-N 0 0 476.444 4.891 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492630667 1066705697 /nfs/dbraw/zinc/70/56/97/1066705697.db2.gz YQYOXAWXXWEOIN-QUCCMNQESA-N 0 0 482.654 4.579 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492630694 1066705715 /nfs/dbraw/zinc/70/57/15/1066705715.db2.gz ZBJLIBUUZARHHF-SNVBAGLBSA-N 0 0 477.354 4.993 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001492630704 1066705742 /nfs/dbraw/zinc/70/57/42/1066705742.db2.gz ZGIGPPYYDCJHKB-RKVPGOIHSA-N 0 0 465.545 4.978 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492630668 1066705762 /nfs/dbraw/zinc/70/57/62/1066705762.db2.gz YQYOXAWXXWEOIN-UYAOXDASSA-N 0 0 482.654 4.579 20 0 JJADRN COc1ccc2cc([C@@H](C)OC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)ccc2c1 ZINC001456850585 1066705688 /nfs/dbraw/zinc/70/56/88/1066705688.db2.gz DSJKIZLWLVQWGN-KOSHJBKYSA-N 0 0 453.560 4.614 20 0 JJADRN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cn1 ZINC001446432985 1066705667 /nfs/dbraw/zinc/70/56/67/1066705667.db2.gz NIIVKQKJLRLBSN-HXUWFJFHSA-N 0 0 453.627 4.917 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)Cc3ccccc3)c3ccccc3n2)cc1OC ZINC001446434756 1066705805 /nfs/dbraw/zinc/70/58/05/1066705805.db2.gz YMKPYVKFBOXPGC-GOSISDBHSA-N 0 0 454.526 4.849 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492630717 1066706049 /nfs/dbraw/zinc/70/60/49/1066706049.db2.gz ZODCLJAYLAYZPU-AGXBYUTESA-N 0 0 480.663 4.844 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492630894 1066706903 /nfs/dbraw/zinc/70/69/03/1066706903.db2.gz BYPHYTFWIQGKCT-FUHWJXTLSA-N 0 0 476.691 4.881 20 0 JJADRN COC(=O)c1ccnc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001456858799 1066707459 /nfs/dbraw/zinc/70/74/59/1066707459.db2.gz IAXYDIPCAYIKRK-HSZRJFAPSA-N 0 0 453.336 4.519 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cnc(C)s2)s1 ZINC001492631503 1066708270 /nfs/dbraw/zinc/70/82/70/1066708270.db2.gz LSDPBGBYWIRGRB-AWEZNQCLSA-N 0 0 456.616 4.978 20 0 JJADRN CSc1cc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)co1 ZINC001456861517 1066708286 /nfs/dbraw/zinc/70/82/86/1066708286.db2.gz FKDVQVOTHOAVNS-UHFFFAOYSA-N 0 0 451.367 4.773 20 0 JJADRN CO[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)(C)C ZINC001456863808 1066708956 /nfs/dbraw/zinc/70/89/56/1066708956.db2.gz HSCHPBRYANSBAC-IBGZPJMESA-N 0 0 459.015 4.857 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545986776 1066709111 /nfs/dbraw/zinc/70/91/11/1066709111.db2.gz KBXDOCAOSFSAFV-QRVBRYPASA-N 0 0 467.680 4.545 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)Oc1ccccc1F ZINC001545986834 1066709626 /nfs/dbraw/zinc/70/96/26/1066709626.db2.gz KZOCKZBUXCAYTN-RTWAWAEBSA-N 0 0 482.604 4.719 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)Oc1ccccc1F ZINC001545986833 1066709691 /nfs/dbraw/zinc/70/96/91/1066709691.db2.gz KZOCKZBUXCAYTN-NHCUHLMSSA-N 0 0 482.604 4.719 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3ccc(OC)c4ccccc34)cc2)c1C ZINC001456865437 1066709730 /nfs/dbraw/zinc/70/97/30/1066709730.db2.gz PRZOUEIKIYDJFM-UHFFFAOYSA-N 0 0 458.514 4.976 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492632286 1066709808 /nfs/dbraw/zinc/70/98/08/1066709808.db2.gz AUSMUOWGOMDAPA-HKUYNNGSSA-N 0 0 468.671 4.800 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC001446487356 1066710183 /nfs/dbraw/zinc/71/01/83/1066710183.db2.gz BAPLDCQKDLJUIH-URXFXBBRSA-N 0 0 450.554 4.785 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001446495273 1066710724 /nfs/dbraw/zinc/71/07/24/1066710724.db2.gz LWOBGRGDZAJIQL-XWMIQMMGSA-N 0 0 464.488 4.889 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)s1 ZINC001492632434 1066711044 /nfs/dbraw/zinc/71/10/44/1066711044.db2.gz FCNCYHUFJKVMSX-HNNXBMFYSA-N 0 0 462.019 4.694 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)s1 ZINC001492632471 1066711051 /nfs/dbraw/zinc/71/10/51/1066711051.db2.gz FTCYXJCKDNHBLD-RDJZCZTQSA-N 0 0 462.664 4.638 20 0 JJADRN Cc1ccc(-n2c3ccc(Br)cc3nc2NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1 ZINC001456870783 1066711183 /nfs/dbraw/zinc/71/11/83/1066711183.db2.gz YBTVVAVVOFSMND-MAUKXSAKSA-N 0 0 458.356 4.619 20 0 JJADRN Cc1ccc(OC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c(I)c1 ZINC001456870096 1066711195 /nfs/dbraw/zinc/71/11/95/1066711195.db2.gz VNOHJRFUXZRPQC-UHFFFAOYSA-N 0 0 457.267 4.816 20 0 JJADRN Cc1ccc(OC(=O)c2cccc(OCc3cscn3)c2)c(I)c1 ZINC001456870780 1066711339 /nfs/dbraw/zinc/71/13/39/1066711339.db2.gz XZCCBJVJGWCIDZ-UHFFFAOYSA-N 0 0 451.285 4.854 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)s1 ZINC001492632696 1066711421 /nfs/dbraw/zinc/71/14/21/1066711421.db2.gz KLNDACURUTYKGH-GDBMZVCRSA-N 0 0 484.617 4.572 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492632616 1066711496 /nfs/dbraw/zinc/71/14/96/1066711496.db2.gz IYUFPCWQLFCVTC-LBPRGKRZSA-N 0 0 497.477 4.738 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1cc2ccc(Br)cc2c(=O)o1 ZINC001456873115 1066711553 /nfs/dbraw/zinc/71/15/53/1066711553.db2.gz WNIIPPQYZCQYOG-UHFFFAOYSA-N 0 0 458.642 4.740 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1)OC ZINC001545987004 1066711562 /nfs/dbraw/zinc/71/15/62/1066711562.db2.gz NLDCAZSMHVFTJY-PMACEKPBSA-N 0 0 491.702 4.948 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC001446505940 1066711593 /nfs/dbraw/zinc/71/15/93/1066711593.db2.gz PLJVVFIUSBGCCS-HNNXBMFYSA-N 0 0 451.926 4.501 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)s1 ZINC001492632754 1066712036 /nfs/dbraw/zinc/71/20/36/1066712036.db2.gz LVPFAXFYZICHIN-ZYSHUDEJSA-N 0 0 474.675 4.854 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001456876799 1066712152 /nfs/dbraw/zinc/71/21/52/1066712152.db2.gz KRTHUCPJLYAFHP-ORAYPTAESA-N 0 0 455.769 4.835 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001446509237 1066712223 /nfs/dbraw/zinc/71/22/23/1066712223.db2.gz BZCBXQYVWXWIKS-UHFFFAOYSA-N 0 0 450.579 4.967 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)C2 ZINC001446515231 1066712779 /nfs/dbraw/zinc/71/27/79/1066712779.db2.gz LVCKDVIXAVUJSP-UHFFFAOYSA-N 0 0 450.608 4.658 20 0 JJADRN O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)c1nc(Br)ccc1F ZINC001446512093 1066712825 /nfs/dbraw/zinc/71/28/25/1066712825.db2.gz WQWXNYNCSAIRFZ-UHFFFAOYSA-N 0 0 459.706 4.906 20 0 JJADRN C[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)[C@H](c2ccco2)C1 ZINC001456877641 1066712761 /nfs/dbraw/zinc/71/27/61/1066712761.db2.gz DEVOCSRXTGVFHY-QAPCUYQASA-N 0 0 454.386 4.596 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492633043 1066713031 /nfs/dbraw/zinc/71/30/31/1066713031.db2.gz SSVXPNRKYRASGJ-XLIONFOSSA-N 0 0 488.702 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001456880725 1066713375 /nfs/dbraw/zinc/71/33/75/1066713375.db2.gz JMKKVIVLQUQSAL-IBGZPJMESA-N 0 0 457.596 4.910 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCc2cc(Br)ccc21)Oc1ccc(Br)cc1 ZINC001456881033 1066713384 /nfs/dbraw/zinc/71/33/84/1066713384.db2.gz RLKYTTUZIOPQMR-KZULUSFZSA-N 0 0 453.174 4.825 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)c1nscc1I ZINC001446518607 1066713454 /nfs/dbraw/zinc/71/34/54/1066713454.db2.gz WBMLZCRAKCHQGI-UHFFFAOYSA-N 0 0 452.273 4.801 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccc(Br)cc2O)c2ccccc2OC)cc1 ZINC001446517289 1066713467 /nfs/dbraw/zinc/71/34/67/1066713467.db2.gz OBMPQTTZLDYJMI-QHCPKHFHSA-N 0 0 456.336 4.620 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001492633259 1066713589 /nfs/dbraw/zinc/71/35/89/1066713589.db2.gz XPIYOAXZLWZRQV-MOPGFXCFSA-N 0 0 455.628 4.658 20 0 JJADRN CCCc1ncc(C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)s1 ZINC001456884285 1066713878 /nfs/dbraw/zinc/71/38/78/1066713878.db2.gz KCELNDMVMHKJNV-BXKMTCNYSA-N 0 0 457.596 4.729 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1 ZINC001446519520 1066713969 /nfs/dbraw/zinc/71/39/69/1066713969.db2.gz NXHPTZNRUMKWMX-FCHUYYIVSA-N 0 0 456.011 4.879 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(NCc3cnn(C)c3)cc2)c2ccccc2OC)cc1 ZINC001446519396 1066714075 /nfs/dbraw/zinc/71/40/75/1066714075.db2.gz VSUMSPHRVFEZOH-AREMUKBSSA-N 0 0 456.546 4.569 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)c1nccs1)OC ZINC001545987150 1066714702 /nfs/dbraw/zinc/71/47/02/1066714702.db2.gz PLROLSHZMIMFFC-GUDVDZBRSA-N 0 0 492.690 4.514 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCNC(=O)C(C)C)CC2)s1 ZINC001492633612 1066714897 /nfs/dbraw/zinc/71/48/97/1066714897.db2.gz IPAYKXHYDFHQDB-UHFFFAOYSA-N 0 0 487.073 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC001456889155 1066714850 /nfs/dbraw/zinc/71/48/50/1066714850.db2.gz OGFWRLZIVJDXHZ-UQNRQAKVSA-N 0 0 450.526 4.832 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccncc2Cl)CCO1 ZINC001546085455 1066714876 /nfs/dbraw/zinc/71/48/76/1066714876.db2.gz LPXAZQRSAMJWBW-JOCHJYFZSA-N 0 0 463.916 4.649 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)C)n3CCOc3ncccc3Cl)CC2)s1 ZINC001492633679 1066715064 /nfs/dbraw/zinc/71/50/64/1066715064.db2.gz KZGBGUHVTZRKLL-UHFFFAOYSA-N 0 0 461.035 4.753 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)Oc1ccccc1F ZINC001545987170 1066715382 /nfs/dbraw/zinc/71/53/82/1066715382.db2.gz PUPSMSCTTQADDL-AZUAARDMSA-N 0 0 487.620 4.988 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC001456891589 1066715405 /nfs/dbraw/zinc/71/54/05/1066715405.db2.gz FJQWRMOBTPHGEL-UHFFFAOYSA-N 0 0 458.484 4.917 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546085471 1066715441 /nfs/dbraw/zinc/71/54/41/1066715441.db2.gz LUOQTUAODRQLPY-BNHRFMORSA-N 0 0 478.728 4.828 20 0 JJADRN Cc1cc(C)n(CCCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001446529055 1066715843 /nfs/dbraw/zinc/71/58/43/1066715843.db2.gz NPWXZTWTYUISTC-AREMUKBSSA-N 0 0 451.014 4.867 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC001456894114 1066715914 /nfs/dbraw/zinc/71/59/14/1066715914.db2.gz KRBVRFSUHWAUNE-LJQANCHMSA-N 0 0 459.521 4.813 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001492634012 1066716051 /nfs/dbraw/zinc/71/60/51/1066716051.db2.gz XIFJDYBHJDQALP-JKSUJKDBSA-N 0 0 455.990 4.602 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)Oc1ccccc1F ZINC001545987172 1066715983 /nfs/dbraw/zinc/71/59/83/1066715983.db2.gz PUPSMSCTTQADDL-QUCCMNQESA-N 0 0 487.620 4.988 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCCO)CC1 ZINC001492634290 1066716531 /nfs/dbraw/zinc/71/65/31/1066716531.db2.gz JFCZIXGUDNKRJW-UHFFFAOYSA-N 0 0 473.415 4.955 20 0 JJADRN Cc1c(Br)cncc1C(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001446531929 1066716724 /nfs/dbraw/zinc/71/67/24/1066716724.db2.gz FKFFPXSPDWYIAA-DEOSSOPVSA-N 0 0 451.364 4.629 20 0 JJADRN Cc1nn(CC(F)F)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446532177 1066717175 /nfs/dbraw/zinc/71/71/75/1066717175.db2.gz WRVUOSJYYQVVTI-QHCPKHFHSA-N 0 0 458.940 4.657 20 0 JJADRN C[C@H](Oc1cccnc1)C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001456898974 1066717417 /nfs/dbraw/zinc/71/74/17/1066717417.db2.gz ANXMBBMJFHSLBB-HNNXBMFYSA-N 0 0 451.324 4.648 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001456900005 1066717446 /nfs/dbraw/zinc/71/74/46/1066717446.db2.gz YHQKXXTVCDLFFN-ZDUSSCGKSA-N 0 0 459.377 4.957 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC(N)=O ZINC001492634673 1066717586 /nfs/dbraw/zinc/71/75/86/1066717586.db2.gz VJRCQSZTOQBVMG-FUHWJXTLSA-N 0 0 474.005 4.647 20 0 JJADRN O=C(NCc1nc(C2CC2)cs1)c1cc(I)c(Cl)cc1Cl ZINC001446535852 1066717767 /nfs/dbraw/zinc/71/77/67/1066717767.db2.gz LBUGWKDJBUXXGM-UHFFFAOYSA-N 0 0 453.132 4.862 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21)Cc1ccccc1OC ZINC001446537099 1066717780 /nfs/dbraw/zinc/71/77/80/1066717780.db2.gz FEDZQOPVDKULMS-IBGZPJMESA-N 0 0 458.514 4.574 20 0 JJADRN Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001456906595 1066718390 /nfs/dbraw/zinc/71/83/90/1066718390.db2.gz AFRWRCYLQLEKAP-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001492635397 1066718897 /nfs/dbraw/zinc/71/88/97/1066718897.db2.gz QJTSNEWBBUWYMA-SFHVURJKSA-N 0 0 471.005 4.638 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC001545987260 1066719004 /nfs/dbraw/zinc/71/90/04/1066719004.db2.gz QYDQPDAYVSWIDF-AZUAARDMSA-N 0 0 479.572 4.738 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2cccc(F)c2c1Cl ZINC001446540674 1066719009 /nfs/dbraw/zinc/71/90/09/1066719009.db2.gz URUXEBVBKDLLRT-UHFFFAOYSA-N 0 0 455.964 4.628 20 0 JJADRN CO[C@@H](CNC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1 ZINC001456910162 1066719032 /nfs/dbraw/zinc/71/90/32/1066719032.db2.gz AYKKTRIKOGGCAB-HNNXBMFYSA-N 0 0 450.103 4.716 20 0 JJADRN Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001492635987 1066719331 /nfs/dbraw/zinc/71/93/31/1066719331.db2.gz HOVAVOFWKWUBCZ-GOSISDBHSA-N 0 0 493.633 4.691 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccsc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492635775 1066719420 /nfs/dbraw/zinc/71/94/20/1066719420.db2.gz AGIIXHVYBAOOIL-UHFFFAOYSA-N 0 0 485.654 4.930 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987277 1066719347 /nfs/dbraw/zinc/71/93/47/1066719347.db2.gz RFZOFUSNKQIYLD-RJGXRXQPSA-N 0 0 483.657 4.544 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987279 1066719378 /nfs/dbraw/zinc/71/93/78/1066719378.db2.gz RFZOFUSNKQIYLD-YTFSRNRJSA-N 0 0 483.657 4.544 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)Cc1ccccc1OC ZINC001446546308 1066719532 /nfs/dbraw/zinc/71/95/32/1066719532.db2.gz VUIZTRFUUFEJKT-KRWDZBQOSA-N 0 0 452.938 4.536 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC001492636275 1066720011 /nfs/dbraw/zinc/72/00/11/1066720011.db2.gz AYYVIUUQUPJXDJ-WBVHZDCISA-N 0 0 466.611 4.929 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nnc1-c1ccco1 ZINC001446551918 1066720127 /nfs/dbraw/zinc/72/01/27/1066720127.db2.gz HWTUIXFDAXEKPF-UXHICEINSA-N 0 0 454.596 4.545 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC001446552122 1066720179 /nfs/dbraw/zinc/72/01/79/1066720179.db2.gz IZGWIMGHAONKJW-ISJGIBHGSA-N 0 0 450.579 4.540 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492636311 1066720493 /nfs/dbraw/zinc/72/04/93/1066720493.db2.gz QBBOIBBGPPJRCB-MRXNPFEDSA-N 0 0 484.469 4.953 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492636322 1066720567 /nfs/dbraw/zinc/72/05/67/1066720567.db2.gz QDIVUAMMXPJLFA-HBMCJLEFSA-N 0 0 487.645 4.558 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)C2)cc1 ZINC001456916577 1066720596 /nfs/dbraw/zinc/72/05/96/1066720596.db2.gz CAAYIOMPGIBLLV-DGWZTRNLSA-N 0 0 477.649 4.806 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001456915309 1066720725 /nfs/dbraw/zinc/72/07/25/1066720725.db2.gz OXEAVJZMMHTZAN-KRWDZBQOSA-N 0 0 454.596 4.785 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c2ccccc2)cc1 ZINC001456917042 1066720735 /nfs/dbraw/zinc/72/07/35/1066720735.db2.gz CLYNQZSIILQKFV-XNMGPUDCSA-N 0 0 455.602 4.950 20 0 JJADRN CON(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@@H]1CCCOc2ccccc21 ZINC001446562010 1066720742 /nfs/dbraw/zinc/72/07/42/1066720742.db2.gz WMBQMQFPDMSOGX-HXUWFJFHSA-N 0 0 452.580 4.589 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1 ZINC001456917528 1066721146 /nfs/dbraw/zinc/72/11/46/1066721146.db2.gz DRNOMMBWDWIPOA-OALUTQOASA-N 0 0 455.649 4.956 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1 ZINC001456917524 1066721252 /nfs/dbraw/zinc/72/12/52/1066721252.db2.gz DRNOMMBWDWIPOA-MOPGFXCFSA-N 0 0 455.649 4.956 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1 ZINC001456917531 1066721339 /nfs/dbraw/zinc/72/13/39/1066721339.db2.gz DRNOMMBWDWIPOA-RBUKOAKNSA-N 0 0 455.649 4.956 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492636445 1066721228 /nfs/dbraw/zinc/72/12/28/1066721228.db2.gz CXCONLCCUQVHAJ-WMLDXEAASA-N 0 0 472.615 4.519 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492636444 1066721255 /nfs/dbraw/zinc/72/12/55/1066721255.db2.gz CXCONLCCUQVHAJ-RHSMWYFYSA-N 0 0 472.615 4.519 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2occc2Br)cc1 ZINC001456920390 1066721707 /nfs/dbraw/zinc/72/17/07/1066721707.db2.gz KCCOFWLJHNRUFF-UHFFFAOYSA-N 0 0 450.310 4.880 20 0 JJADRN O=C(NC[C@]1(O)CCc2ccccc21)c1cccc(Sc2cccc(Br)c2)n1 ZINC001446569414 1066721751 /nfs/dbraw/zinc/72/17/51/1066721751.db2.gz NBBMIPMFWFLMTJ-JOCHJYFZSA-N 0 0 455.377 4.559 20 0 JJADRN Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001492636698 1066722063 /nfs/dbraw/zinc/72/20/63/1066722063.db2.gz WJQOJBXEKGHAKT-UHFFFAOYSA-N 0 0 487.988 4.957 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2c(C)noc2C)CCO1 ZINC001546085623 1066722358 /nfs/dbraw/zinc/72/23/58/1066722358.db2.gz OVBNOVGJQJFTGY-NRFANRHFSA-N 0 0 478.366 4.505 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCCC[C@@H]2CCCc2ccccc2)c(C)c1 ZINC001446571207 1066722361 /nfs/dbraw/zinc/72/23/61/1066722361.db2.gz XITHBENTGDBBRJ-XMMPIXPASA-N 0 0 456.652 4.684 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492637120 1066722571 /nfs/dbraw/zinc/72/25/71/1066722571.db2.gz LFDWNMDGSNEOKB-WMZOPIPTSA-N 0 0 462.664 4.663 20 0 JJADRN COc1cccc(Nc2ccccc2C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC001446577600 1066722845 /nfs/dbraw/zinc/72/28/45/1066722845.db2.gz BFHROZIIXDWYKP-NRFANRHFSA-N 0 0 456.951 4.693 20 0 JJADRN Cc1nn(CC(=O)N[C@H](C)C[C@H](O)c2cccs2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001446580239 1066722989 /nfs/dbraw/zinc/72/29/89/1066722989.db2.gz AINIORDNBDFFNC-WBMJQRKESA-N 0 0 454.518 4.572 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@H]1c1ccc(OC)cc1 ZINC001456921966 1066723056 /nfs/dbraw/zinc/72/30/56/1066723056.db2.gz OEDLYOXLAVSLRO-VEDVITAVSA-N 0 0 458.549 4.973 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001492637263 1066722996 /nfs/dbraw/zinc/72/29/96/1066722996.db2.gz NPOFSOQZKVLFMQ-HOCLYGCPSA-N 0 0 476.444 4.749 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC001446572310 1066723091 /nfs/dbraw/zinc/72/30/91/1066723091.db2.gz XBZBYJQEOROUKM-QGZVFWFLSA-N 0 0 451.571 4.570 20 0 JJADRN CC(C)Oc1cc(CN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C2CC2)ccn1 ZINC001446584140 1066723323 /nfs/dbraw/zinc/72/33/23/1066723323.db2.gz RGIPYCSNWLUPCK-UHFFFAOYSA-N 0 0 451.567 4.971 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001446582260 1066723404 /nfs/dbraw/zinc/72/34/04/1066723404.db2.gz FAJXTJFSYSBIDJ-CQSZACIVSA-N 0 0 451.360 4.954 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC001446587158 1066723844 /nfs/dbraw/zinc/72/38/44/1066723844.db2.gz VNCMGYGKOZZOSC-FUHWJXTLSA-N 0 0 453.391 4.646 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCSC[C@@H]2C)n1 ZINC001492637629 1066724009 /nfs/dbraw/zinc/72/40/09/1066724009.db2.gz VXQXQTUJKOXTAJ-WMZOPIPTSA-N 0 0 470.668 4.658 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456925982 1066724011 /nfs/dbraw/zinc/72/40/11/1066724011.db2.gz UXUDELWRNZPFMT-OLPMXTGOSA-N 0 0 452.904 4.975 20 0 JJADRN Cc1cccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)(C)C ZINC001456929372 1066724397 /nfs/dbraw/zinc/72/43/97/1066724397.db2.gz UMSJFKURXBYFTB-QFIPXVFZSA-N 0 0 455.555 4.847 20 0 JJADRN C[C@](CO)(NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 ZINC001456928558 1066724515 /nfs/dbraw/zinc/72/45/15/1066724515.db2.gz OKXPQPLPAMFUDT-LJQANCHMSA-N 0 0 453.789 4.669 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492637674 1066724484 /nfs/dbraw/zinc/72/44/84/1066724484.db2.gz XAHVLOKMCFWAFF-AWEZNQCLSA-N 0 0 493.559 4.663 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492637675 1066724523 /nfs/dbraw/zinc/72/45/23/1066724523.db2.gz XAHVLOKMCFWAFF-CQSZACIVSA-N 0 0 493.559 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC001446592998 1066724620 /nfs/dbraw/zinc/72/46/20/1066724620.db2.gz PJQLVMNJWZOLDQ-SMIHKQSGSA-N 0 0 450.579 4.600 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001545987594 1066724668 /nfs/dbraw/zinc/72/46/68/1066724668.db2.gz UWPAAWHSJWXCOM-ROUUACIJSA-N 0 0 498.521 4.517 20 0 JJADRN COc1ccc(CN(CCCO)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)cc1 ZINC001456930852 1066724960 /nfs/dbraw/zinc/72/49/60/1066724960.db2.gz BZOFCDDLZUEKMC-UHFFFAOYSA-N 0 0 451.567 4.722 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001456933014 1066725060 /nfs/dbraw/zinc/72/50/60/1066725060.db2.gz SHUWMSAPHYVHRT-UHFFFAOYSA-N 0 0 451.596 4.541 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)c2ccccc2)n1 ZINC001492637919 1066724992 /nfs/dbraw/zinc/72/49/92/1066724992.db2.gz AXKFEALPZAGDPK-QZTJIDSGSA-N 0 0 463.655 4.948 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC001456933086 1066725549 /nfs/dbraw/zinc/72/55/49/1066725549.db2.gz SMNHWVSOTRYHGV-XLIONFOSSA-N 0 0 456.384 4.707 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(CC1CC1)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545987679 1066725516 /nfs/dbraw/zinc/72/55/16/1066725516.db2.gz VNYKGHQNQCJOEF-NHCUHLMSSA-N 0 0 461.651 4.840 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001446611345 1066725646 /nfs/dbraw/zinc/72/56/46/1066725646.db2.gz HFWRHYCPSSSXIE-LJQANCHMSA-N 0 0 456.999 4.816 20 0 JJADRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2C2CC2)c1 ZINC001456936642 1066725960 /nfs/dbraw/zinc/72/59/60/1066725960.db2.gz SQWMKMSXMDCIHH-UHFFFAOYSA-N 0 0 455.967 4.685 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OCCC(C)C)CC2)n1 ZINC001492638353 1066726030 /nfs/dbraw/zinc/72/60/30/1066726030.db2.gz GCHSUZCTBNZMTO-SFHVURJKSA-N 0 0 485.702 4.740 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492638369 1066726143 /nfs/dbraw/zinc/72/61/43/1066726143.db2.gz GGVZYZUZEDQYGR-MRXNPFEDSA-N 0 0 457.619 4.970 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCc2nc(C)cs2)CCO1 ZINC001546085426 1066726452 /nfs/dbraw/zinc/72/64/52/1066726452.db2.gz LGUQCQDMBFIUBD-OAQYLSRUSA-N 0 0 493.475 4.829 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492638443 1066726532 /nfs/dbraw/zinc/72/65/32/1066726532.db2.gz HQBTVPBFLVJMCD-OAHLLOKOSA-N 0 0 484.617 4.573 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492638473 1066726545 /nfs/dbraw/zinc/72/65/45/1066726545.db2.gz GHQWJVZSXBVZQK-WMLDXEAASA-N 0 0 463.554 4.588 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](COC(C)C)C2)n1 ZINC001492638623 1066726610 /nfs/dbraw/zinc/72/66/10/1066726610.db2.gz IWSSNWLPZDBDEJ-UTKZUKDTSA-N 0 0 490.073 4.721 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC001545987808 1066726552 /nfs/dbraw/zinc/72/65/52/1066726552.db2.gz XEDAXEFTVHJNFC-DZKQDOIXSA-N 0 0 453.631 4.597 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001446619875 1066726584 /nfs/dbraw/zinc/72/65/84/1066726584.db2.gz VIMBOTNVKRPSDC-WMZOPIPTSA-N 0 0 450.339 4.816 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492638469 1066726669 /nfs/dbraw/zinc/72/66/69/1066726669.db2.gz GHQWJVZSXBVZQK-RHSMWYFYSA-N 0 0 463.554 4.588 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)n1 ZINC001492638621 1066726679 /nfs/dbraw/zinc/72/66/79/1066726679.db2.gz IWSSNWLPZDBDEJ-DYESRHJHSA-N 0 0 490.073 4.721 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)c2nccs2)n1 ZINC001492638388 1066726687 /nfs/dbraw/zinc/72/66/87/1066726687.db2.gz GLSGORHYCWFJRT-CVEARBPZSA-N 0 0 453.641 4.529 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001456940974 1066727005 /nfs/dbraw/zinc/72/70/05/1066727005.db2.gz OZXWVPGQBNRZNI-UHFFFAOYSA-N 0 0 456.514 4.800 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)CCC2)cc1 ZINC001446640543 1066727678 /nfs/dbraw/zinc/72/76/78/1066727678.db2.gz DLTJFEDNJHGLKQ-SFHVURJKSA-N 0 0 453.583 4.660 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Cl)cc2)n1 ZINC001492638946 1066727650 /nfs/dbraw/zinc/72/76/50/1066727650.db2.gz KMKOUHKZVHJZCK-HNNXBMFYSA-N 0 0 454.003 4.636 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC001456950165 1066728207 /nfs/dbraw/zinc/72/82/07/1066728207.db2.gz IUIBXZMFVVEFGM-NRFANRHFSA-N 0 0 457.412 4.798 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C)[C@@H]2C)n1 ZINC001492639115 1066728231 /nfs/dbraw/zinc/72/82/31/1066728231.db2.gz NPSKFRXONJBXFV-NEWSRXKRSA-N 0 0 457.669 4.798 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1OC ZINC001446649294 1066728771 /nfs/dbraw/zinc/72/87/71/1066728771.db2.gz AULXKRJWAJMGMI-LESCRADOSA-N 0 0 452.979 4.513 20 0 JJADRN O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001446650157 1066728794 /nfs/dbraw/zinc/72/87/94/1066728794.db2.gz QEHXBRWYNGUBDH-UHFFFAOYSA-N 0 0 458.952 4.558 20 0 JJADRN CCc1nc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)nn1-c1c(Cl)cccc1Cl ZINC001456954241 1066729186 /nfs/dbraw/zinc/72/91/86/1066729186.db2.gz UEDQXGNDFNMLEG-CQSZACIVSA-N 0 0 455.349 4.813 20 0 JJADRN CN(CCc1ccccc1C(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC001456956765 1066729211 /nfs/dbraw/zinc/72/92/11/1066729211.db2.gz DAIGDCGGZLBLFB-UHFFFAOYSA-N 0 0 457.518 4.544 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(C)Cc3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492639666 1066729136 /nfs/dbraw/zinc/72/91/36/1066729136.db2.gz RYCFXYXSKPGJGR-KSFYIVLOSA-N 0 0 461.657 4.585 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCCS1 ZINC001446651748 1066729418 /nfs/dbraw/zinc/72/94/18/1066729418.db2.gz MIRQEPDQPKNACJ-OALUTQOASA-N 0 0 452.620 4.953 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2cc(I)c(C)cc2C)c1 ZINC001446656051 1066729824 /nfs/dbraw/zinc/72/98/24/1066729824.db2.gz YMRWVTSLGHUGFS-UHFFFAOYSA-N 0 0 451.304 4.656 20 0 JJADRN Cc1ccc2c(C(=O)NCCc3nc(C(F)(F)F)cs3)cc(-c3cnn(C)c3)nc2c1C ZINC001456961747 1066730175 /nfs/dbraw/zinc/73/01/75/1066730175.db2.gz RNYNFIAGAVKRPH-UHFFFAOYSA-N 0 0 459.497 4.700 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC(OCC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456961599 1066730251 /nfs/dbraw/zinc/73/02/51/1066730251.db2.gz QAAVCTIUPZDXAL-AVRDEDQJSA-N 0 0 450.982 4.585 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCC(OCC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456961606 1066730276 /nfs/dbraw/zinc/73/02/76/1066730276.db2.gz QAAVCTIUPZDXAL-GCJKJVERSA-N 0 0 450.982 4.585 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(Cl)nc2)CCO1 ZINC001546085826 1066730693 /nfs/dbraw/zinc/73/06/93/1066730693.db2.gz SYQIGQWCUOSDKK-QFIPXVFZSA-N 0 0 463.916 4.649 20 0 JJADRN C[C@@H](NC(=O)c1cnc(Br)c(Br)c1)c1nc(C2CCCCC2)no1 ZINC001456963797 1066730725 /nfs/dbraw/zinc/73/07/25/1066730725.db2.gz SAENUZQLGMLYBL-SECBINFHSA-N 0 0 458.154 4.528 20 0 JJADRN CC(C)(C)Oc1c(F)cc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1F ZINC001446668390 1066730767 /nfs/dbraw/zinc/73/07/67/1066730767.db2.gz CBFQNGKKYBBHMN-CIAFOILYSA-N 0 0 451.473 4.947 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc1 ZINC001456963608 1066730786 /nfs/dbraw/zinc/73/07/86/1066730786.db2.gz GXQVFSMNHBHWHX-PZJWPPBQSA-N 0 0 456.587 4.558 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC001456963334 1066730850 /nfs/dbraw/zinc/73/08/50/1066730850.db2.gz GCGYOBMJLIGFDP-QHCPKHFHSA-N 0 0 450.608 4.888 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC001446665392 1066730875 /nfs/dbraw/zinc/73/08/75/1066730875.db2.gz XHLFQRLCKWOQHM-UHFFFAOYSA-N 0 0 451.283 4.645 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001456964331 1066731181 /nfs/dbraw/zinc/73/11/81/1066731181.db2.gz WFNUNGCWRFOGJT-LEWJYISDSA-N 0 0 458.599 4.843 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C(C)(C)C2)n1 ZINC001492640435 1066731269 /nfs/dbraw/zinc/73/12/69/1066731269.db2.gz ZJZISXOWZRBVJU-CVEARBPZSA-N 0 0 472.684 4.711 20 0 JJADRN Cc1ccsc1[C@@H](CO)NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001446696536 1066731250 /nfs/dbraw/zinc/73/12/50/1066731250.db2.gz FSZHTARRWMOGKS-GOSISDBHSA-N 0 0 459.365 4.535 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCC(NC(=O)c4ccc(C)s4)CC3)nnc2C(C)(C)C)n1 ZINC001492640473 1066731714 /nfs/dbraw/zinc/73/17/14/1066731714.db2.gz ZVSBJEPOJSSGOO-HNNXBMFYSA-N 0 0 486.711 4.913 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492640518 1066731781 /nfs/dbraw/zinc/73/17/81/1066731781.db2.gz XXEQGRIMBGINAR-NEWSRXKRSA-N 0 0 490.674 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3nc(Cc4ccccc4)cs3)nc2C1 ZINC001446699031 1066731879 /nfs/dbraw/zinc/73/18/79/1066731879.db2.gz HJGVLOZHIQUHOL-UHFFFAOYSA-N 0 0 450.564 4.674 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(CO)CC2)n1 ZINC001492640620 1066732185 /nfs/dbraw/zinc/73/21/85/1066732185.db2.gz ZQFGRYYIGXXFLE-ZDUSSCGKSA-N 0 0 494.434 4.624 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccc(Br)s4)n3CCOC(C)C)CCO2)n1 ZINC001492640688 1066732268 /nfs/dbraw/zinc/73/22/68/1066732268.db2.gz ATWFRSXLLZVWBO-CQSZACIVSA-N 0 0 498.472 4.537 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1c2c(nc3ccccc31)CCC2 ZINC001456969680 1066732444 /nfs/dbraw/zinc/73/24/44/1066732444.db2.gz GVURCIZCRSQJKA-UHFFFAOYSA-N 0 0 450.226 4.859 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 ZINC001446703535 1066732512 /nfs/dbraw/zinc/73/25/12/1066732512.db2.gz XBSNUQKLJLUANK-XHDPSFHLSA-N 0 0 459.490 4.771 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)c2)c1 ZINC001456972354 1066732795 /nfs/dbraw/zinc/73/27/95/1066732795.db2.gz VPIPWFZOBQIGEM-NRFANRHFSA-N 0 0 454.979 4.655 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3CCC3CC(OC(C)(C)C)C3)CCO2)n1 ZINC001492640742 1066732892 /nfs/dbraw/zinc/73/28/92/1066732892.db2.gz BYUYIALQQFOCPK-CTWPCTMYSA-N 0 0 461.676 4.902 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC001456974634 1066733431 /nfs/dbraw/zinc/73/34/31/1066733431.db2.gz LTQSPZCZENJHHO-UHFFFAOYSA-N 0 0 458.927 4.581 20 0 JJADRN O=C(CCCc1ccsc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001446713716 1066733517 /nfs/dbraw/zinc/73/35/17/1066733517.db2.gz QCKIJNWEGRMTFU-UHFFFAOYSA-N 0 0 450.969 4.869 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCSCC(C)C)CCO2)n1 ZINC001492641178 1066733767 /nfs/dbraw/zinc/73/37/67/1066733767.db2.gz KAJHGWQLXAVGDL-LJQANCHMSA-N 0 0 461.657 4.969 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC001456977188 1066733885 /nfs/dbraw/zinc/73/38/85/1066733885.db2.gz PBJWCNBGIYHAOP-LLVKDONJSA-N 0 0 458.702 4.816 20 0 JJADRN Cn1c(C(=O)N2CCC(CCCn3ccnc3)CC2)ccc1-c1ccc(Br)cc1 ZINC001446716842 1066733991 /nfs/dbraw/zinc/73/39/91/1066733991.db2.gz QUZOWVJPLCESJP-UHFFFAOYSA-N 0 0 455.400 4.984 20 0 JJADRN CC(C)(Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001446717057 1066734048 /nfs/dbraw/zinc/73/40/48/1066734048.db2.gz WFRSEIFZSXOESN-UHFFFAOYSA-N 0 0 459.955 4.676 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC001456978972 1066734449 /nfs/dbraw/zinc/73/44/49/1066734449.db2.gz PRUYZKQYSCYTCC-KUHUBIRLSA-N 0 0 455.967 4.608 20 0 JJADRN O=C(COc1cc(Cl)ccc1Cl)Nc1cc(F)c(F)cc1I ZINC001456978200 1066734555 /nfs/dbraw/zinc/73/45/55/1066734555.db2.gz UDAYDWNTOXINQW-UHFFFAOYSA-N 0 0 458.029 4.894 20 0 JJADRN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001456980893 1066735041 /nfs/dbraw/zinc/73/50/41/1066735041.db2.gz OXITXDGQSCIQCX-MAUKXSAKSA-N 0 0 459.414 4.656 20 0 JJADRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCCSCc3ccnc(Cl)c3)ccc21 ZINC001446745190 1066735210 /nfs/dbraw/zinc/73/52/10/1066735210.db2.gz FXPRSIRASUJNCN-UHFFFAOYSA-N 0 0 457.024 4.937 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)[C@H]2CCCC[C@H]12 ZINC001446746732 1066735301 /nfs/dbraw/zinc/73/53/01/1066735301.db2.gz ZSYABIBANNNXFN-KFNAQCHYSA-N 0 0 457.294 4.699 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCSCc3ccnc(Cl)c3)c12 ZINC001446745185 1066735353 /nfs/dbraw/zinc/73/53/53/1066735353.db2.gz FWIPVGJGJYRQHM-UHFFFAOYSA-N 0 0 458.012 4.717 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)n1 ZINC001492641760 1066735538 /nfs/dbraw/zinc/73/55/38/1066735538.db2.gz JGFBDXCWCQHWSG-GFJKYASSSA-N 0 0 471.696 4.552 20 0 JJADRN CCCc1c(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cnn1-c1cccc(F)c1 ZINC001446751185 1066735993 /nfs/dbraw/zinc/73/59/93/1066735993.db2.gz GHNXKHCUXFMGFS-UHFFFAOYSA-N 0 0 451.498 4.727 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)OCc3nc(C)cs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456983999 1066735900 /nfs/dbraw/zinc/73/59/00/1066735900.db2.gz MPMGDLVWMMWXNI-XUZZJYLKSA-N 0 0 450.560 4.996 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2c(C)c(Br)ccc2C(=O)OC)cc1OC ZINC001456985183 1066736101 /nfs/dbraw/zinc/73/61/01/1066736101.db2.gz YRTAIXQNNGCEHF-UHFFFAOYSA-N 0 0 450.329 4.984 20 0 JJADRN O=C(NCCSCc1ccnc(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001446753145 1066736018 /nfs/dbraw/zinc/73/60/18/1066736018.db2.gz XIJVKCRCCPQIDJ-NRFANRHFSA-N 0 0 452.963 4.852 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@H](CC)N2CCO[C@@H](CC)C2)ccc1Sc1ccccc1 ZINC001446754543 1066736029 /nfs/dbraw/zinc/73/60/29/1066736029.db2.gz GRKUIUWXUAEYEF-UGKGYDQZSA-N 0 0 456.608 4.842 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(Br)s3)CCO2)n1 ZINC001492642533 1066736381 /nfs/dbraw/zinc/73/63/81/1066736381.db2.gz WTBOIZJAFUPYOR-HNNXBMFYSA-N 0 0 496.500 4.985 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccccc3C(F)(F)F)C2)n1 ZINC001492642884 1066736773 /nfs/dbraw/zinc/73/67/73/1066736773.db2.gz UYPZZOFNFMZCRV-QGZVFWFLSA-N 0 0 492.571 4.632 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)CC1 ZINC001456989161 1066737050 /nfs/dbraw/zinc/73/70/50/1066737050.db2.gz VBYDGVFTJBFRMQ-QGZVFWFLSA-N 0 0 455.002 4.960 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC001456989639 1066737698 /nfs/dbraw/zinc/73/76/98/1066737698.db2.gz ZCJNMIIJOBWYGS-HUUCEWRRSA-N 0 0 450.457 4.848 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001446774871 1066737911 /nfs/dbraw/zinc/73/79/11/1066737911.db2.gz BYSYGPXJYDHLDY-ZLNRFVROSA-N 0 0 453.583 4.686 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3CC(C)(C)O)C2)n1 ZINC001492643100 1066738387 /nfs/dbraw/zinc/73/83/87/1066738387.db2.gz YUUCGQKMOBABGR-SJORKVTESA-N 0 0 476.046 4.991 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456996887 1066738579 /nfs/dbraw/zinc/73/85/79/1066738579.db2.gz DJIHNWGQXUOQAD-HSALFYBXSA-N 0 0 476.614 4.668 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1 ZINC001446786129 1066739054 /nfs/dbraw/zinc/73/90/54/1066739054.db2.gz QMVAZXGIESSRMV-UHFFFAOYSA-N 0 0 454.636 4.655 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cnn(Cc3ccccc3)c2Br)c1 ZINC001446787568 1066739194 /nfs/dbraw/zinc/73/91/94/1066739194.db2.gz KMDJLSXHLCNWMK-KKSFZXQISA-N 0 0 454.368 4.926 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2Br)n1 ZINC001492643393 1066739328 /nfs/dbraw/zinc/73/93/28/1066739328.db2.gz HPJCRMKLZZPRKK-UHFFFAOYSA-N 0 0 498.454 4.922 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 ZINC001446789377 1066739647 /nfs/dbraw/zinc/73/96/47/1066739647.db2.gz NTLPBBLCMKCTST-HXOBKFHXSA-N 0 0 450.608 4.903 20 0 JJADRN O=C([C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446789831 1066740051 /nfs/dbraw/zinc/74/00/51/1066740051.db2.gz FPOCYXRONCYDNI-QUCCMNQESA-N 0 0 458.961 4.503 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2nc(Br)ccc2Br)c1 ZINC001446789693 1066740060 /nfs/dbraw/zinc/74/00/60/1066740060.db2.gz QCTAKYZIOXMBSX-NHYWBVRUSA-N 0 0 454.162 4.839 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC001457009386 1066740627 /nfs/dbraw/zinc/74/06/27/1066740627.db2.gz LFTPGDSDKVVETC-SFHVURJKSA-N 0 0 451.548 4.547 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC001446793959 1066740576 /nfs/dbraw/zinc/74/05/76/1066740576.db2.gz WHDXGBAODABZJI-URXFXBBRSA-N 0 0 453.535 4.609 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC001446793964 1066740707 /nfs/dbraw/zinc/74/07/07/1066740707.db2.gz WHDXGBAODABZJI-XUZZJYLKSA-N 0 0 453.535 4.609 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCN(c3ccc(F)cc3)CC2)n1 ZINC001492643970 1066740548 /nfs/dbraw/zinc/74/05/48/1066740548.db2.gz VPCHBFXPMLJTGX-UHFFFAOYSA-N 0 0 456.635 4.730 20 0 JJADRN Cc1csc(CCCCn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(C)C)n1 ZINC001492643886 1066740560 /nfs/dbraw/zinc/74/05/60/1066740560.db2.gz UGXJPQWHFYFWLT-UHFFFAOYSA-N 0 0 465.627 4.864 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC001457010506 1066741068 /nfs/dbraw/zinc/74/10/68/1066741068.db2.gz OEKYWVQFLYWPJN-HXUWFJFHSA-N 0 0 457.603 4.786 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC001446797928 1066741271 /nfs/dbraw/zinc/74/12/71/1066741271.db2.gz SVTMUMKVPUXBGS-GOSISDBHSA-N 0 0 457.537 4.826 20 0 JJADRN C[C@H]1C(=O)NCCCN1C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC001457011543 1066741675 /nfs/dbraw/zinc/74/16/75/1066741675.db2.gz AZFZCGBYAONKIH-QFIPXVFZSA-N 0 0 458.627 4.839 20 0 JJADRN COc1ccc([C@H](NC(=O)C/C=C/c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011161 1066741739 /nfs/dbraw/zinc/74/17/39/1066741739.db2.gz DOTRMGSQSFYXAG-YQVIQHHGSA-N 0 0 453.535 4.547 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC001446803690 1066742177 /nfs/dbraw/zinc/74/21/77/1066742177.db2.gz ZVLUZVXLPACRCQ-QGZVFWFLSA-N 0 0 454.571 4.568 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001457013317 1066742234 /nfs/dbraw/zinc/74/22/34/1066742234.db2.gz UTABBTJAIWHSFP-RXVVDRJESA-N 0 0 456.583 4.797 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1 ZINC001492644345 1066742317 /nfs/dbraw/zinc/74/23/17/1066742317.db2.gz KXJWOOLGTOXSKF-NRFANRHFSA-N 0 0 480.682 4.836 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCCCC2)n1 ZINC001492644392 1066742325 /nfs/dbraw/zinc/74/23/25/1066742325.db2.gz MJQFIIMFEVIMOD-UHFFFAOYSA-N 0 0 473.668 4.517 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001457013304 1066742416 /nfs/dbraw/zinc/74/24/16/1066742416.db2.gz UTABBTJAIWHSFP-GHTZIAJQSA-N 0 0 456.583 4.797 20 0 JJADRN CSc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1 ZINC001446807130 1066742793 /nfs/dbraw/zinc/74/27/93/1066742793.db2.gz PXDSJEOHNSWFDB-UHFFFAOYSA-N 0 0 454.573 4.973 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001492644533 1066742841 /nfs/dbraw/zinc/74/28/41/1066742841.db2.gz QSRBVJGUUMFGFI-LJQANCHMSA-N 0 0 484.645 4.613 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446807128 1066742907 /nfs/dbraw/zinc/74/29/07/1066742907.db2.gz PULZZJBTNBEDBL-ZBFHGGJFSA-N 0 0 457.398 4.855 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CCCCCO)CCO2)n1 ZINC001492644704 1066743230 /nfs/dbraw/zinc/74/32/30/1066743230.db2.gz XCIRTHNCFLNOJD-QFIPXVFZSA-N 0 0 499.681 4.660 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)c(Br)c1 ZINC001446810406 1066743329 /nfs/dbraw/zinc/74/33/29/1066743329.db2.gz FBCNZUUNTBWXGI-SECBINFHSA-N 0 0 453.134 4.588 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H]2CCOC2)n1 ZINC001492644632 1066743447 /nfs/dbraw/zinc/74/34/47/1066743447.db2.gz UUZIIXHTLZEVSO-MRXNPFEDSA-N 0 0 494.434 4.860 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492644744 1066743771 /nfs/dbraw/zinc/74/37/71/1066743771.db2.gz YGXPNACOZHJCFB-GJZUVCINSA-N 0 0 483.682 4.593 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(F)c2)n1 ZINC001492644736 1066743981 /nfs/dbraw/zinc/74/39/81/1066743981.db2.gz YADAUGZHWJMLGM-UHFFFAOYSA-N 0 0 456.566 4.986 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)NCCC4CCC(F)(F)CC4)cc3C2=O)cc1 ZINC001457016717 1066743812 /nfs/dbraw/zinc/74/38/12/1066743812.db2.gz OKWZOWUKTMPAPW-UHFFFAOYSA-N 0 0 456.489 4.831 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC001492645005 1066744424 /nfs/dbraw/zinc/74/44/24/1066744424.db2.gz HTLKBUGXMDHORJ-OAQYLSRUSA-N 0 0 467.639 4.748 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)c1 ZINC001492645049 1066744811 /nfs/dbraw/zinc/74/48/11/1066744811.db2.gz JJJBUVVQDSLOGL-MRXNPFEDSA-N 0 0 474.030 4.604 20 0 JJADRN COCCOc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001457021889 1066745430 /nfs/dbraw/zinc/74/54/30/1066745430.db2.gz UKPXKYHSBIVACZ-DEOSSOPVSA-N 0 0 455.938 4.902 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)n([C@H](C)CC)n3)c2)cc1 ZINC001446826508 1066745711 /nfs/dbraw/zinc/74/57/11/1066745711.db2.gz ORBNTADXHKCYBQ-MRXNPFEDSA-N 0 0 456.568 4.614 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOCC2(C)C)c1 ZINC001492645376 1066745863 /nfs/dbraw/zinc/74/58/63/1066745863.db2.gz TYTNAHSVWPDIFQ-LJQANCHMSA-N 0 0 487.645 4.674 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001457021919 1066745970 /nfs/dbraw/zinc/74/59/70/1066745970.db2.gz MWLKXVWAGMNLPF-UHFFFAOYSA-N 0 0 454.958 4.921 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC001457023841 1066746037 /nfs/dbraw/zinc/74/60/37/1066746037.db2.gz BRJYGOQHMPDNIJ-MOPGFXCFSA-N 0 0 454.998 4.584 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)n1 ZINC001492645522 1066746425 /nfs/dbraw/zinc/74/64/25/1066746425.db2.gz YXUHIOWIXGIMIQ-IBGZPJMESA-N 0 0 474.675 4.984 20 0 JJADRN Cc1cc([C@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccccc2Cl)ccc1F ZINC001457024823 1066746523 /nfs/dbraw/zinc/74/65/23/1066746523.db2.gz FWSZOBIDGNPJPZ-NRFANRHFSA-N 0 0 457.933 4.996 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cncc(-c3ccc(OC)cc3)c2)ccn1 ZINC001457024970 1066747068 /nfs/dbraw/zinc/74/70/68/1066747068.db2.gz BGUOUUZLFXUUOX-UHFFFAOYSA-N 0 0 454.486 4.556 20 0 JJADRN C[C@H]1CN(C(=O)CCc2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457026841 1066747563 /nfs/dbraw/zinc/74/75/63/1066747563.db2.gz KHYRSQBPTUDRMN-INIZCTEOSA-N 0 0 452.904 4.593 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492645974 1066747873 /nfs/dbraw/zinc/74/78/73/1066747873.db2.gz QDTZTZUSTCEBAJ-ROUUACIJSA-N 0 0 488.679 4.559 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446847720 1066747996 /nfs/dbraw/zinc/74/79/96/1066747996.db2.gz VXUGKMXOFQPPSC-FGZHOGPDSA-N 0 0 454.615 4.608 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc12 ZINC001457028650 1066747952 /nfs/dbraw/zinc/74/79/52/1066747952.db2.gz JMMICUHBRSDXBA-QGZVFWFLSA-N 0 0 458.559 4.616 20 0 JJADRN Cc1cc([C@@H](NC(=O)Cn2cccc(C(F)(F)F)c2=O)c2ccccc2Cl)ccc1F ZINC001457029588 1066748053 /nfs/dbraw/zinc/74/80/53/1066748053.db2.gz RUAVUPKFYOIKFM-HXUWFJFHSA-N 0 0 452.835 4.874 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nnc(C)s2)c1 ZINC001492646011 1066748044 /nfs/dbraw/zinc/74/80/44/1066748044.db2.gz RHLMYSIZBJTBQV-UHFFFAOYSA-N 0 0 492.472 4.835 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)N2CCOCC2)c1 ZINC001492646108 1066748404 /nfs/dbraw/zinc/74/84/04/1066748404.db2.gz VVNSJRWYBFMOBY-MRXNPFEDSA-N 0 0 480.465 4.979 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001457033337 1066748899 /nfs/dbraw/zinc/74/88/99/1066748899.db2.gz LIMDGXCXWIPLEU-UHFFFAOYSA-N 0 0 451.605 4.713 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001492646141 1066748980 /nfs/dbraw/zinc/74/89/80/1066748980.db2.gz WZCNJEQAYAPHRN-VWLOTQADSA-N 0 0 451.640 4.727 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC=C(F)C2)c(Cl)cc1Cl ZINC001446865031 1066749302 /nfs/dbraw/zinc/74/93/02/1066749302.db2.gz CKLKOAMDTNYBNZ-UHFFFAOYSA-N 0 0 457.354 4.908 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001492646188 1066749352 /nfs/dbraw/zinc/74/93/52/1066749352.db2.gz YTIBGMWJJAORFA-SFHVURJKSA-N 0 0 470.643 4.849 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 ZINC001446861290 1066749417 /nfs/dbraw/zinc/74/94/17/1066749417.db2.gz BUAWSBJYHNMVRB-NRFANRHFSA-N 0 0 456.464 4.788 20 0 JJADRN COc1cccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1O ZINC001446862770 1066749489 /nfs/dbraw/zinc/74/94/89/1066749489.db2.gz YSOVCQYESSVOCV-UHFFFAOYSA-N 0 0 455.308 4.597 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001492646412 1066749381 /nfs/dbraw/zinc/74/93/81/1066749381.db2.gz GVCHKMRJEWIXOM-SFHLNBCPSA-N 0 0 489.686 4.824 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)C2CC2)c1 ZINC001492646191 1066749458 /nfs/dbraw/zinc/74/94/58/1066749458.db2.gz YVFXXSDMISMOHD-OAQYLSRUSA-N 0 0 461.429 4.875 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)Oc1ccc(Oc2nccs2)cc1)C(=O)N1CCCC1 ZINC001457034088 1066749568 /nfs/dbraw/zinc/74/95/68/1066749568.db2.gz CNEHVEFGOWNOJW-HNNXBMFYSA-N 0 0 455.561 4.653 20 0 JJADRN O=C(NC[C@@H]1SCCc2ccccc21)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001457033899 1066749594 /nfs/dbraw/zinc/74/95/94/1066749594.db2.gz YSKDPLKXMGAQTE-LEWJYISDSA-N 0 0 451.419 4.514 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC2(C)CCCCCC2)C[C@@H](C)O1 ZINC001446867831 1066750076 /nfs/dbraw/zinc/75/00/76/1066750076.db2.gz LSCJFYHAOWCIOG-RTBURBONSA-N 0 0 456.656 4.812 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001446874521 1066751404 /nfs/dbraw/zinc/75/14/04/1066751404.db2.gz BYVJLQPXZAFTNJ-JTSKRJEESA-N 0 0 459.612 4.713 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2cccc(F)c2)c1 ZINC001492647221 1066751474 /nfs/dbraw/zinc/75/14/74/1066751474.db2.gz HIAFTGWXLKNMKX-GOSISDBHSA-N 0 0 451.571 4.877 20 0 JJADRN COC(=O)c1cc(NC(=O)Cn2c(C)c(Br)c3ccccc32)cc(F)c1Cl ZINC001457055154 1066751494 /nfs/dbraw/zinc/75/14/94/1066751494.db2.gz NMEQYMZCHZIPFH-UHFFFAOYSA-N 0 0 453.695 4.930 20 0 JJADRN Cc1ccc(-c2c[nH]cc2C(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)s1 ZINC001457049092 1066751517 /nfs/dbraw/zinc/75/15/17/1066751517.db2.gz WVRPGGAHUBACEZ-UHFFFAOYSA-N 0 0 459.291 4.685 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1(C)C ZINC001446877935 1066751715 /nfs/dbraw/zinc/75/17/15/1066751715.db2.gz IDEFJIACKHIFKK-JCKWVBRZSA-N 0 0 456.414 4.628 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2cccc(N(C)C)c2)c1 ZINC001492647685 1066751855 /nfs/dbraw/zinc/75/18/55/1066751855.db2.gz TXGOKVSAKWBWJG-UHFFFAOYSA-N 0 0 452.653 4.754 20 0 JJADRN CC(C)(C(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001457059214 1066752117 /nfs/dbraw/zinc/75/21/17/1066752117.db2.gz WHMFDEWMXZTIIU-VQIMIIECSA-N 0 0 458.986 4.942 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc(F)c(F)cc3Br)C2)CC1 ZINC001446881740 1066752804 /nfs/dbraw/zinc/75/28/04/1066752804.db2.gz RQWWNMHPSZLQBA-UHFFFAOYSA-N 0 0 459.331 4.591 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccccc2F)c1 ZINC001492647883 1066752957 /nfs/dbraw/zinc/75/29/57/1066752957.db2.gz ZQHRWRWBIBWMAG-GOSISDBHSA-N 0 0 451.571 4.877 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)COc3cccc4c3OC(C)(C)C4)CCCC2)cc1C ZINC001457062514 1066753018 /nfs/dbraw/zinc/75/30/18/1066753018.db2.gz PAKRVSPUFANZKF-UHFFFAOYSA-N 0 0 450.579 4.711 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cc(Br)cn(C2CC2)c1=O ZINC001457061685 1066753139 /nfs/dbraw/zinc/75/31/39/1066753139.db2.gz NLCJOFHNFTUSEX-LJQANCHMSA-N 0 0 451.364 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C2 ZINC001457062874 1066753190 /nfs/dbraw/zinc/75/31/90/1066753190.db2.gz RZUREPZYYUBRJF-QMMLZNLJSA-N 0 0 469.969 4.863 20 0 JJADRN COc1ccc(CN(C(=O)c2cc3c(C)nn(C)c3nc2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001446882808 1066753267 /nfs/dbraw/zinc/75/32/67/1066753267.db2.gz TYTRUZSZQUVTDF-KSFYIVLOSA-N 0 0 450.583 4.823 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)c2ccccc2)c1 ZINC001492648234 1066753382 /nfs/dbraw/zinc/75/33/82/1066753382.db2.gz NOEGNBHMLNMJSZ-UHFFFAOYSA-N 0 0 456.566 4.938 20 0 JJADRN CCc1ccc([C@H](NC(=O)CCc2cccnc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457065436 1066753570 /nfs/dbraw/zinc/75/35/70/1066753570.db2.gz FIVZXJXMDJMJQT-QHCPKHFHSA-N 0 0 456.995 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c(OCc3ccccc3)c(F)c1)C2 ZINC001457064195 1066753581 /nfs/dbraw/zinc/75/35/81/1066753581.db2.gz RCJUTFBAUFFXBU-QMMLZNLJSA-N 0 0 458.505 4.814 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001446885995 1066753801 /nfs/dbraw/zinc/75/38/01/1066753801.db2.gz XHYLIWQLZZWRNU-NRFANRHFSA-N 0 0 459.373 4.757 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001446886118 1066753837 /nfs/dbraw/zinc/75/38/37/1066753837.db2.gz XLLZTOWTZFEMQT-SNVBAGLBSA-N 0 0 454.702 4.871 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)c1 ZINC001492648336 1066753899 /nfs/dbraw/zinc/75/38/99/1066753899.db2.gz QYVFOOSQEQMGOI-JGCGQSQUSA-N 0 0 472.680 4.781 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001492648385 1066753997 /nfs/dbraw/zinc/75/39/97/1066753997.db2.gz TXAWHTQVFANXEM-QGZVFWFLSA-N 0 0 467.517 4.520 20 0 JJADRN CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457069890 1066754802 /nfs/dbraw/zinc/75/48/02/1066754802.db2.gz YPOJQUSOWHAJIR-UHFFFAOYSA-N 0 0 451.567 4.847 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)CC3 ZINC001446900190 1066754670 /nfs/dbraw/zinc/75/46/70/1066754670.db2.gz LVOVPNOXXWPESP-DVECYGJZSA-N 0 0 451.998 4.948 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)CC3 ZINC001446900208 1066754872 /nfs/dbraw/zinc/75/48/72/1066754872.db2.gz LVOVPNOXXWPESP-YADARESESA-N 0 0 451.998 4.948 20 0 JJADRN CC[C@H](C(=O)Nc1nc2c(cc(Br)cc2OC)s1)N(C)C(=O)OC(C)(C)C ZINC001457070242 1066755141 /nfs/dbraw/zinc/75/51/41/1066755141.db2.gz QKEOVUACAAMFTN-LLVKDONJSA-N 0 0 458.378 4.651 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](CC(C)C)C2)n1 ZINC001492648639 1066755134 /nfs/dbraw/zinc/75/51/34/1066755134.db2.gz DGXJEKMZTBVAQD-HNNXBMFYSA-N 0 0 463.449 4.732 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3c(C)nc(C4CC4)[nH]c3=S)nc21 ZINC001457070929 1066755286 /nfs/dbraw/zinc/75/52/86/1066755286.db2.gz RXPSZXUHZIENJW-UHFFFAOYSA-N 0 0 451.371 4.584 20 0 JJADRN Cc1c(C(=O)N[C@]2(C)CCCOC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001446905933 1066755267 /nfs/dbraw/zinc/75/52/67/1066755267.db2.gz PLQYWFQGLKQHCP-HSZRJFAPSA-N 0 0 457.621 4.501 20 0 JJADRN C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446906458 1066755383 /nfs/dbraw/zinc/75/53/83/1066755383.db2.gz VYMIYOIFAAZHEU-RYUDHWBXSA-N 0 0 451.778 4.882 20 0 JJADRN CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)CC1 ZINC001446908786 1066755392 /nfs/dbraw/zinc/75/53/92/1066755392.db2.gz URYHMWIGEVLZJJ-UHFFFAOYSA-N 0 0 457.640 4.734 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)c3cc4c(ccc(F)c4Br)[nH]3)oc2c1 ZINC001457070491 1066755361 /nfs/dbraw/zinc/75/53/61/1066755361.db2.gz RQFWOWXIEYGWLN-UHFFFAOYSA-N 0 0 459.271 4.575 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCn2cccn2)n1 ZINC001492648819 1066755495 /nfs/dbraw/zinc/75/54/95/1066755495.db2.gz JDCAGKSGIJGRGE-SFHVURJKSA-N 0 0 486.045 4.834 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1 ZINC001492648953 1066755501 /nfs/dbraw/zinc/75/55/01/1066755501.db2.gz NENJERKAQRQNOR-JKIFEVAISA-N 0 0 485.507 4.526 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2cscn2)n1 ZINC001492649103 1066755933 /nfs/dbraw/zinc/75/59/33/1066755933.db2.gz RDSBHUDKWDHJSB-CQSZACIVSA-N 0 0 461.016 4.978 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001492648955 1066755948 /nfs/dbraw/zinc/75/59/48/1066755948.db2.gz NENJERKAQRQNOR-ZQIUZPCESA-N 0 0 485.507 4.526 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001492648954 1066755957 /nfs/dbraw/zinc/75/59/57/1066755957.db2.gz NENJERKAQRQNOR-KEYYUXOJSA-N 0 0 485.507 4.526 20 0 JJADRN CCOc1cccc(CCC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457074976 1066756187 /nfs/dbraw/zinc/75/61/87/1066756187.db2.gz RIGICJKVZMKURF-AREMUKBSSA-N 0 0 451.588 4.636 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545990674 1066756445 /nfs/dbraw/zinc/75/64/45/1066756445.db2.gz WNMIJPUNSUHTHE-FYYLOGMGSA-N 0 0 483.657 4.717 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492649292 1066756425 /nfs/dbraw/zinc/75/64/25/1066756425.db2.gz XJFNYHWSOSUQPH-QGZVFWFLSA-N 0 0 476.444 4.772 20 0 JJADRN CCOCCOC1CN(C(=O)c2ccccc2SCc2ccc(Br)cc2)C1 ZINC001446910429 1066756504 /nfs/dbraw/zinc/75/65/04/1066756504.db2.gz OCBTUBPRMWNEJS-UHFFFAOYSA-N 0 0 450.398 4.619 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492649623 1066756920 /nfs/dbraw/zinc/75/69/20/1066756920.db2.gz JWLBMLSJCXVMCI-MRXNPFEDSA-N 0 0 489.045 4.763 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492649573 1066756955 /nfs/dbraw/zinc/75/69/55/1066756955.db2.gz IJIXBUBUBNZWQU-LJQANCHMSA-N 0 0 455.628 4.798 20 0 JJADRN C[C@@H](N1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1)C(F)(F)F ZINC001457081707 1066757240 /nfs/dbraw/zinc/75/72/40/1066757240.db2.gz WMXNMALXZCVWQR-MURKYSCBSA-N 0 0 454.439 4.924 20 0 JJADRN Cc1c(Br)cccc1C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001457079735 1066757296 /nfs/dbraw/zinc/75/72/96/1066757296.db2.gz UZLGGGABXKJLNN-NRFANRHFSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1csc(Cn2c(Cc3ccccc3F)nnc2N(CCC(F)(F)F)CC2CC2)n1 ZINC001492650093 1066757419 /nfs/dbraw/zinc/75/74/19/1066757419.db2.gz AETIEAUAZOCESZ-UHFFFAOYSA-N 0 0 453.509 4.990 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2cccc(CCOC(C)=O)c2)nnc1-c1ccccc1 ZINC001446930241 1066757532 /nfs/dbraw/zinc/75/75/32/1066757532.db2.gz XIJURSYMEBSDBL-QGZVFWFLSA-N 0 0 452.580 4.753 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2nccs2)n1 ZINC001492649770 1066757480 /nfs/dbraw/zinc/75/74/80/1066757480.db2.gz OBZNMNKWNLHXID-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN Cc1csc(Cn2c(-c3ccccn3)nnc2N(C)Cc2csc(Br)c2)n1 ZINC001492650039 1066757513 /nfs/dbraw/zinc/75/75/13/1066757513.db2.gz YLJRQEXTJJICGR-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545990803 1066757545 /nfs/dbraw/zinc/75/75/45/1066757545.db2.gz YJJSRZDXFTXWQI-NLWGTHIKSA-N 0 0 490.674 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446928438 1066757574 /nfs/dbraw/zinc/75/75/74/1066757574.db2.gz LJQSGKVIAORGQN-ANULTFPQSA-N 0 0 465.034 4.546 20 0 JJADRN Cc1csc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCCc2ccccn2)n1 ZINC001492650352 1066757997 /nfs/dbraw/zinc/75/79/97/1066757997.db2.gz IBJSPCBVILEHNP-UHFFFAOYSA-N 0 0 453.015 4.800 20 0 JJADRN COc1ccc([C@@H](CO)N(C)C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC001446938749 1066758088 /nfs/dbraw/zinc/75/80/88/1066758088.db2.gz MJRRDBCYDIBOGM-GOSISDBHSA-N 0 0 451.375 4.860 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC001446952431 1066758150 /nfs/dbraw/zinc/75/81/50/1066758150.db2.gz CDRVAEIRPYBUDO-UHFFFAOYSA-N 0 0 452.971 4.708 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC001457087082 1066758777 /nfs/dbraw/zinc/75/87/77/1066758777.db2.gz BOOCWRQEHACUME-UHFFFAOYSA-N 0 0 455.146 4.691 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)Cc1cccs1 ZINC001457089058 1066759051 /nfs/dbraw/zinc/75/90/51/1066759051.db2.gz BRPRGVHMHRHCLX-MRXNPFEDSA-N 0 0 455.045 4.575 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccnc(N2CCCCC2)n1)C(F)(F)F ZINC001457089022 1066759236 /nfs/dbraw/zinc/75/92/36/1066759236.db2.gz LTBFFAYHGZGZIZ-HXUWFJFHSA-N 0 0 459.472 4.730 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)(C)Cc3cccc(Br)c3)C2)cc1 ZINC001457093519 1066759693 /nfs/dbraw/zinc/75/96/93/1066759693.db2.gz OFFVEMJHNTXTBV-FQEVSTJZSA-N 0 0 457.412 4.747 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccccc3C(F)(F)F)CC2)n1 ZINC001492651987 1066759810 /nfs/dbraw/zinc/75/98/10/1066759810.db2.gz KSFJBSXHZUMIGK-UHFFFAOYSA-N 0 0 464.561 4.734 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3Cc3cscc3C(F)(F)F)CC2)n1 ZINC001492651983 1066759818 /nfs/dbraw/zinc/75/98/18/1066759818.db2.gz KOTOTQUJQKXJNW-UHFFFAOYSA-N 0 0 456.563 4.622 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3Cc3cccc(NC(=O)CC(C)C)c3)CC2)n1 ZINC001492652146 1066759885 /nfs/dbraw/zinc/75/98/85/1066759885.db2.gz OUOGHDFUOGQJBB-UHFFFAOYSA-N 0 0 481.670 4.526 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001492652415 1066760308 /nfs/dbraw/zinc/76/03/08/1066760308.db2.gz FPTRCPVVDLVRND-MSOLQXFVSA-N 0 0 488.057 4.808 20 0 JJADRN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001446970206 1066760483 /nfs/dbraw/zinc/76/04/83/1066760483.db2.gz WWFNPBVIHSTUEP-CQSZACIVSA-N 0 0 450.551 4.804 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001492653060 1066760700 /nfs/dbraw/zinc/76/07/00/1066760700.db2.gz WDKIPLUQWCNCSW-HXUWFJFHSA-N 0 0 458.031 4.905 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492652914 1066760714 /nfs/dbraw/zinc/76/07/14/1066760714.db2.gz QWYZKHYWNKVWKA-NRFANRHFSA-N 0 0 488.057 4.531 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3cccnc3)C(C)C)CC2)n1 ZINC001492652744 1066760733 /nfs/dbraw/zinc/76/07/33/1066760733.db2.gz LAWKMUYIFDCKNT-OAQYLSRUSA-N 0 0 467.687 4.793 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001492652852 1066760820 /nfs/dbraw/zinc/76/08/20/1066760820.db2.gz OIPSSABTCKSDMY-UHFFFAOYSA-N 0 0 480.560 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cc21 ZINC001446977265 1066760870 /nfs/dbraw/zinc/76/08/70/1066760870.db2.gz DXGZOZXABXBPHH-UHFFFAOYSA-N 0 0 453.970 4.891 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446980436 1066760914 /nfs/dbraw/zinc/76/09/14/1066760914.db2.gz IOROGSOKYMAWRD-KRWDZBQOSA-N 0 0 457.347 4.712 20 0 JJADRN COc1ccc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)cc1-n1cnnn1 ZINC001457097010 1066760864 /nfs/dbraw/zinc/76/08/64/1066760864.db2.gz JLSHNHPMXVKENA-UHFFFAOYSA-N 0 0 457.387 4.748 20 0 JJADRN CN(C(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccc(-c2ccccc2)cc1 ZINC001457098310 1066761239 /nfs/dbraw/zinc/76/12/39/1066761239.db2.gz MXGRETCYAURTSW-UHFFFAOYSA-N 0 0 451.320 4.505 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492652885 1066761280 /nfs/dbraw/zinc/76/12/80/1066761280.db2.gz QAJGFGWFQUORES-OALUTQOASA-N 0 0 485.629 4.669 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446981577 1066761524 /nfs/dbraw/zinc/76/15/24/1066761524.db2.gz LRXASTWJRNSXSS-SFHVURJKSA-N 0 0 450.505 4.742 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001457099580 1066761845 /nfs/dbraw/zinc/76/18/45/1066761845.db2.gz PYFUCLAMLSTJQT-RUZDIDTESA-N 0 0 456.498 4.600 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001446984584 1066762012 /nfs/dbraw/zinc/76/20/12/1066762012.db2.gz GJKMWSYERUFZKE-CVEARBPZSA-N 0 0 458.584 4.862 20 0 JJADRN CC[C@@]1(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985477 1066762020 /nfs/dbraw/zinc/76/20/20/1066762020.db2.gz QFEIFXCZMMENAW-CLOONOSVSA-N 0 0 459.635 4.738 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492653822 1066762361 /nfs/dbraw/zinc/76/23/61/1066762361.db2.gz NWCIVFIEWRYVGZ-QUCCMNQESA-N 0 0 475.659 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC001457101515 1066762404 /nfs/dbraw/zinc/76/24/04/1066762404.db2.gz MABJBCSNVMAGQI-BJLXPSRBSA-N 0 0 458.914 4.868 20 0 JJADRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989573 1066762372 /nfs/dbraw/zinc/76/23/72/1066762372.db2.gz VDZIVBFJCBGINY-URXFXBBRSA-N 0 0 458.624 4.818 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nc(C(C)(C)C)co3)ccc2C)cc1 ZINC001457104025 1066762903 /nfs/dbraw/zinc/76/29/03/1066762903.db2.gz VLHISXKVECLMIX-UHFFFAOYSA-N 0 0 457.552 4.732 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC001446990175 1066763083 /nfs/dbraw/zinc/76/30/83/1066763083.db2.gz XMYIIAINFTZCPC-HXUWFJFHSA-N 0 0 458.389 4.809 20 0 JJADRN CC[S@](=O)(=NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)c1cccc(Cl)c1 ZINC001457102822 1066763108 /nfs/dbraw/zinc/76/31/08/1066763108.db2.gz WSUWPZUEOKNPEW-WJOKGBTCSA-N 0 0 457.983 4.884 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ncc(Br)cn2)c2cc(F)ccc2F)c1 ZINC001457104338 1066763400 /nfs/dbraw/zinc/76/34/00/1066763400.db2.gz HGFLSOXNARUQKR-KRWDZBQOSA-N 0 0 450.308 4.759 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC001446991562 1066763538 /nfs/dbraw/zinc/76/35/38/1066763538.db2.gz OHYNEFXCHZDRMD-MOPGFXCFSA-N 0 0 454.615 4.940 20 0 JJADRN Cc1cscc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 ZINC001492654152 1066763426 /nfs/dbraw/zinc/76/34/26/1066763426.db2.gz STFPTFLIYNBJBO-HXUWFJFHSA-N 0 0 475.659 4.774 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 ZINC001446992887 1066763584 /nfs/dbraw/zinc/76/35/84/1066763584.db2.gz ASYHBRPYVZYKDT-LJQANCHMSA-N 0 0 458.587 4.999 20 0 JJADRN CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001457107463 1066763980 /nfs/dbraw/zinc/76/39/80/1066763980.db2.gz GAEAFFWZYXEYFM-IAGOWNOFSA-N 0 0 453.029 4.521 20 0 JJADRN CS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001457107466 1066764010 /nfs/dbraw/zinc/76/40/10/1066764010.db2.gz GAEAFFWZYXEYFM-IRXDYDNUSA-N 0 0 453.029 4.521 20 0 JJADRN Cc1cc(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)nn1-c1cccc(Cl)c1 ZINC001446996528 1066764137 /nfs/dbraw/zinc/76/41/37/1066764137.db2.gz LQWDVRLJYARLBE-LJQANCHMSA-N 0 0 452.711 4.582 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)s1 ZINC001492654732 1066764283 /nfs/dbraw/zinc/76/42/83/1066764283.db2.gz ANEIZQFEJUEVQA-KRWDZBQOSA-N 0 0 489.926 4.821 20 0 JJADRN CS[C@@H]1CC[C@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 ZINC001457111062 1066764275 /nfs/dbraw/zinc/76/42/75/1066764275.db2.gz LLYRTMALFAEJNG-GVDBMIGSSA-N 0 0 457.434 4.757 20 0 JJADRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1[nH]nc(C2CC2)c1Br ZINC001447000368 1066764599 /nfs/dbraw/zinc/76/45/99/1066764599.db2.gz ACSMXNCPAIUFFD-CYBMUJFWSA-N 0 0 454.193 4.684 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@@H]4C(C)C)CC3)[nH]n2)cc1 ZINC001457111566 1066764866 /nfs/dbraw/zinc/76/48/66/1066764866.db2.gz CBEHGGMBDAXMCD-JOCHJYFZSA-N 0 0 452.599 4.883 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492655082 1066765174 /nfs/dbraw/zinc/76/51/74/1066765174.db2.gz BPEUDHFKYJDEIZ-SXLOBPIMSA-N 0 0 489.686 4.718 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001457113697 1066765336 /nfs/dbraw/zinc/76/53/36/1066765336.db2.gz OCOWSCOYWQGYPQ-ZHALLVOQSA-N 0 0 453.608 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001447011305 1066765599 /nfs/dbraw/zinc/76/55/99/1066765599.db2.gz RHVUQTYWMZDXLU-QKKBWIMNSA-N 0 0 451.354 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001447011316 1066765635 /nfs/dbraw/zinc/76/56/35/1066765635.db2.gz RHVUQTYWMZDXLU-SPLOXXLWSA-N 0 0 451.354 4.765 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)s1 ZINC001492655310 1066765819 /nfs/dbraw/zinc/76/58/19/1066765819.db2.gz NOBZBPQVRWNZQC-UHFFFAOYSA-N 0 0 485.963 4.808 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492655169 1066765835 /nfs/dbraw/zinc/76/58/35/1066765835.db2.gz MARZUOJOCZXVOF-HUUCEWRRSA-N 0 0 490.471 4.946 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@@H]4C(C)C)CC3)cc2)CC1 ZINC001457116541 1066766042 /nfs/dbraw/zinc/76/60/42/1066766042.db2.gz NUFFLEYNJZQUPG-JOCHJYFZSA-N 0 0 454.615 4.770 20 0 JJADRN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)CC(=O)N2C(C)(C)C)cn1 ZINC001457116149 1066766071 /nfs/dbraw/zinc/76/60/71/1066766071.db2.gz VBBMDEQECFIJAR-OXJNMPFZSA-N 0 0 453.612 4.654 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001492655663 1066767219 /nfs/dbraw/zinc/76/72/19/1066767219.db2.gz VVBOPCBZBAAJHD-GOSISDBHSA-N 0 0 476.444 4.639 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)[C@H](C)[C@@H]1OC ZINC001447023290 1066767258 /nfs/dbraw/zinc/76/72/58/1066767258.db2.gz LHFBYEKRWBVDAB-RVHYNSKXSA-N 0 0 455.624 4.844 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2csc(C)n2)CCO1 ZINC001546087411 1066767570 /nfs/dbraw/zinc/76/75/70/1066767570.db2.gz LVZYPYQFCAAINQ-QFIPXVFZSA-N 0 0 462.019 4.620 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001492656053 1066767826 /nfs/dbraw/zinc/76/78/26/1066767826.db2.gz VQXJLBBRGGJLQI-UHFFFAOYSA-N 0 0 495.693 4.877 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C[C@@H]1F ZINC001447030024 1066768048 /nfs/dbraw/zinc/76/80/48/1066768048.db2.gz OEEBHNOBQDMPJL-JPYJTQIMSA-N 0 0 452.551 4.975 20 0 JJADRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001457127279 1066768188 /nfs/dbraw/zinc/76/81/88/1066768188.db2.gz DZARLZYEVXVROC-HRHYPEDYSA-N 0 0 455.526 4.624 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCCc2nc(C)cs2)CCO1 ZINC001546087481 1066768227 /nfs/dbraw/zinc/76/82/27/1066768227.db2.gz NCGAVHHOLZHFSV-VWLOTQADSA-N 0 0 485.654 4.755 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c2ccccc2)cc1 ZINC001457128340 1066768268 /nfs/dbraw/zinc/76/82/68/1066768268.db2.gz UBHQFXGKPPYXRW-NZQKXSOJSA-N 0 0 455.558 4.502 20 0 JJADRN Cc1cscc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1 ZINC001492656165 1066768423 /nfs/dbraw/zinc/76/84/23/1066768423.db2.gz YWMIMSDCUHHILY-UHFFFAOYSA-N 0 0 459.044 4.975 20 0 JJADRN Cc1cscc1Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492656070 1066768443 /nfs/dbraw/zinc/76/84/43/1066768443.db2.gz WHCBTNAJGTVKDD-FQEVSTJZSA-N 0 0 457.427 4.636 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)cc2)n1 ZINC001457130176 1066768771 /nfs/dbraw/zinc/76/87/71/1066768771.db2.gz XQYLRAPTYWWXCT-UHFFFAOYSA-N 0 0 451.866 4.851 20 0 JJADRN C[C@@H](CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC001447049163 1066769097 /nfs/dbraw/zinc/76/90/97/1066769097.db2.gz DVWYJJWZMXFBNV-ZDUSSCGKSA-N 0 0 459.403 4.614 20 0 JJADRN CCCN(CCNC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)OC(C)(C)C ZINC001447048281 1066769225 /nfs/dbraw/zinc/76/92/25/1066769225.db2.gz KUEJYNKEQWEPRT-UHFFFAOYSA-N 0 0 456.631 4.553 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CCO1 ZINC001546087514 1066769172 /nfs/dbraw/zinc/76/91/72/1066769172.db2.gz NQGRVALCWZBNSZ-NRFANRHFSA-N 0 0 450.345 4.840 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)Cc2c(Br)cnn2C)C(C)C)cc1 ZINC001457131339 1066769182 /nfs/dbraw/zinc/76/91/82/1066769182.db2.gz WQAYRJXRHKNLKX-UHFFFAOYSA-N 0 0 456.384 4.838 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)no1 ZINC001457130615 1066769220 /nfs/dbraw/zinc/76/92/20/1066769220.db2.gz ZCUAUWKLFCSSAN-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN CC(C)[C@H]1CCCN1c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC001447052131 1066769566 /nfs/dbraw/zinc/76/95/66/1066769566.db2.gz NUDDRUSCQUVXDF-IIBYNOLFSA-N 0 0 450.551 4.781 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccc(F)cc3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492656908 1066769957 /nfs/dbraw/zinc/76/99/57/1066769957.db2.gz HSEKLYTXTPCIGD-UHFFFAOYSA-N 0 0 473.618 4.565 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)CN2c3ccccc3OC(F)(F)C2=O)cc1 ZINC001457135606 1066770229 /nfs/dbraw/zinc/77/02/29/1066770229.db2.gz DDMPBQZRCUQALX-MRXNPFEDSA-N 0 0 452.457 4.558 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc2[nH]1 ZINC001447059219 1066770353 /nfs/dbraw/zinc/77/03/53/1066770353.db2.gz YDSHVAVFMVDPHI-VWLOTQADSA-N 0 0 455.514 4.697 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001447056734 1066770362 /nfs/dbraw/zinc/77/03/62/1066770362.db2.gz UTZXMJCWVLTSBE-LKUPVBHCSA-N 0 0 451.558 4.984 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492657300 1066770339 /nfs/dbraw/zinc/77/03/39/1066770339.db2.gz UAPPUUZNCOEHNA-HXUWFJFHSA-N 0 0 460.047 4.700 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)[C@H](C)c3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492657239 1066770494 /nfs/dbraw/zinc/77/04/94/1066770494.db2.gz PYWLJLBYORIEDE-CJAUYULYSA-N 0 0 487.645 4.971 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492657256 1066770550 /nfs/dbraw/zinc/77/05/50/1066770550.db2.gz SOQDKSQKBXALRG-UHFFFAOYSA-N 0 0 457.619 4.718 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)s1 ZINC001492657234 1066770576 /nfs/dbraw/zinc/77/05/76/1066770576.db2.gz SKZPMTRQNFUZPI-OAQYLSRUSA-N 0 0 453.656 4.631 20 0 JJADRN COC(=O)C1(C2(O)CCN(C(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)CC2)CCC1 ZINC001457138318 1066770493 /nfs/dbraw/zinc/77/04/93/1066770493.db2.gz LCDKDUGNTAMVJK-YMKLCQLYSA-N 0 0 480.432 4.889 20 0 JJADRN CC(C)(C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001447067243 1066770835 /nfs/dbraw/zinc/77/08/35/1066770835.db2.gz ZVGHAIPBZUMQIT-FQEVSTJZSA-N 0 0 454.920 4.514 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C)s1 ZINC001492657600 1066771020 /nfs/dbraw/zinc/77/10/20/1066771020.db2.gz YCWBTTMWEKEBDX-VQIMIIECSA-N 0 0 474.675 4.697 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)c(C)c4ncccc34)CC2)c(C)c1 ZINC001457139294 1066771029 /nfs/dbraw/zinc/77/10/29/1066771029.db2.gz LMXFIXOGLWRMQD-UHFFFAOYSA-N 0 0 451.592 4.508 20 0 JJADRN Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2O)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001447075249 1066771483 /nfs/dbraw/zinc/77/14/83/1066771483.db2.gz CZTCTZOSRBNMEY-UHFFFAOYSA-N 0 0 450.988 4.644 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545992334 1066771945 /nfs/dbraw/zinc/77/19/45/1066771945.db2.gz HSLGGRSVMVMPGP-SESVDKBCSA-N 0 0 492.661 4.582 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CCC2)s1 ZINC001492657800 1066772043 /nfs/dbraw/zinc/77/20/43/1066772043.db2.gz AWSARJQOBAOCSM-UHFFFAOYSA-N 0 0 450.381 4.957 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545992422 1066772009 /nfs/dbraw/zinc/77/20/09/1066772009.db2.gz INPDLWSDGJMTPJ-NJNPRVFISA-N 0 0 497.596 4.884 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)s1 ZINC001492657949 1066772579 /nfs/dbraw/zinc/77/25/79/1066772579.db2.gz HAAQVYRYMQBSED-GOSISDBHSA-N 0 0 476.691 4.997 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001447100973 1066772765 /nfs/dbraw/zinc/77/27/65/1066772765.db2.gz HEEWSGOUYVNVDZ-NTKDMRAZSA-N 0 0 452.595 4.867 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n1 ZINC001457147007 1066773032 /nfs/dbraw/zinc/77/30/32/1066773032.db2.gz FAOIDRIMOMOXKC-ZWKOTPCHSA-N 0 0 455.514 4.957 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492658598 1066773100 /nfs/dbraw/zinc/77/31/00/1066773100.db2.gz UDNSOPNJFIVJGM-SFHVURJKSA-N 0 0 474.675 4.798 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2nc(C)no2)CCO1 ZINC001546087534 1066773096 /nfs/dbraw/zinc/77/30/96/1066773096.db2.gz NUOYMKPBGLVKHC-RUZDIDTESA-N 0 0 452.603 4.572 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)n1 ZINC001457147077 1066773106 /nfs/dbraw/zinc/77/31/06/1066773106.db2.gz FQLRUGCZTDXLJE-OAHLLOKOSA-N 0 0 452.511 4.892 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)Nc3cccc(C)c3)c1)CCC2 ZINC001447101831 1066773272 /nfs/dbraw/zinc/77/32/72/1066773272.db2.gz DCJUJVSFTDXAEZ-XMMPIXPASA-N 0 0 450.560 4.612 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492658745 1066773521 /nfs/dbraw/zinc/77/35/21/1066773521.db2.gz JFLYACPLZIDUCS-SJLPKXTDSA-N 0 0 459.591 4.542 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492658743 1066773591 /nfs/dbraw/zinc/77/35/91/1066773591.db2.gz JFLYACPLZIDUCS-AEFFLSMTSA-N 0 0 459.591 4.542 20 0 JJADRN O=C(CCCn1cnc2ccccc21)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447105498 1066773705 /nfs/dbraw/zinc/77/37/05/1066773705.db2.gz FVGBQYRPADJJIR-LJQANCHMSA-N 0 0 459.331 4.785 20 0 JJADRN CCOC(=O)CC1(CNC(=O)c2cc(-c3cccs3)nc3c2cnn3CC)CCCCC1 ZINC001447105922 1066773724 /nfs/dbraw/zinc/77/37/24/1066773724.db2.gz RWHZODVZLRYLNH-UHFFFAOYSA-N 0 0 454.596 4.813 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001492658904 1066773958 /nfs/dbraw/zinc/77/39/58/1066773958.db2.gz ZLIQEDAOVGOXPT-INIZCTEOSA-N 0 0 468.627 4.512 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nccn2C(F)F)CCO1 ZINC001546087650 1066773992 /nfs/dbraw/zinc/77/39/92/1066773992.db2.gz QCMLIQPZXCQMLV-DEOSSOPVSA-N 0 0 458.557 4.888 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCSc1ccc(Cl)cc1 ZINC001457153937 1066774260 /nfs/dbraw/zinc/77/42/60/1066774260.db2.gz JNBAXCYKMGFHRQ-HKUYNNGSSA-N 0 0 457.036 4.743 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC001457155907 1066774719 /nfs/dbraw/zinc/77/47/19/1066774719.db2.gz RKXAUGYCCCXGDM-OAHLLOKOSA-N 0 0 452.511 4.608 20 0 JJADRN O=C(C[C@H](O)c1cccc(F)c1)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001447111217 1066775111 /nfs/dbraw/zinc/77/51/11/1066775111.db2.gz RQYKPFZAFQEGRM-HNNXBMFYSA-N 0 0 451.119 4.514 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc(I)cc2)ccc1Cl ZINC001447110822 1066775133 /nfs/dbraw/zinc/77/51/33/1066775133.db2.gz MNXDBTPCYYLCSL-GOSISDBHSA-N 0 0 455.723 4.996 20 0 JJADRN COc1ccc(CN(C(=O)C(F)(F)c2cccc(Br)c2)[C@H](CO)C(C)C)cc1 ZINC001447113082 1066775568 /nfs/dbraw/zinc/77/55/68/1066775568.db2.gz ZURXYQDBKMBKPJ-LJQANCHMSA-N 0 0 456.327 4.595 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)cc1 ZINC001447111988 1066775602 /nfs/dbraw/zinc/77/56/02/1066775602.db2.gz SCDFNJRYYGIEBX-ZEQRLZLVSA-N 0 0 456.652 4.847 20 0 JJADRN Cc1nc(C)c(Cn2c(C(C)C)nnc2N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492659361 1066775579 /nfs/dbraw/zinc/77/55/79/1066775579.db2.gz YYLPFTILXOSUJJ-RTBURBONSA-N 0 0 474.675 4.653 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457157517 1066775604 /nfs/dbraw/zinc/77/56/04/1066775604.db2.gz SGDGJFZQANKNNC-HSZRJFAPSA-N 0 0 452.551 4.564 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnccn2)s1 ZINC001492659405 1066775773 /nfs/dbraw/zinc/77/57/73/1066775773.db2.gz ZZBXQTHOXVBAGA-UHFFFAOYSA-N 0 0 460.394 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001457159864 1066775821 /nfs/dbraw/zinc/77/58/21/1066775821.db2.gz CKLSIEIXRFQYIT-PBHICJAKSA-N 0 0 453.322 4.671 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2nccs2)CCO1 ZINC001546087875 1066776144 /nfs/dbraw/zinc/77/61/44/1066776144.db2.gz VIBBMDNSCZZFCI-QFIPXVFZSA-N 0 0 462.019 4.702 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)c(Cl)c2)CCO1 ZINC001546087893 1066776280 /nfs/dbraw/zinc/77/62/80/1066776280.db2.gz VPQIUFLKDUKTDU-OAQYLSRUSA-N 0 0 450.345 4.840 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOCC(C)C)CCO1 ZINC001546087915 1066776456 /nfs/dbraw/zinc/77/64/56/1066776456.db2.gz WDRLTELXEFUTKB-QHCPKHFHSA-N 0 0 495.462 4.784 20 0 JJADRN CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1 ZINC001447121984 1066776398 /nfs/dbraw/zinc/77/63/98/1066776398.db2.gz KELSVCZLBVTUBG-RUZDIDTESA-N 0 0 457.618 4.814 20 0 JJADRN CS[C@@H]1CC[C@H](NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001457161325 1066776511 /nfs/dbraw/zinc/77/65/11/1066776511.db2.gz HKWVNMXAXGJBBH-DLBZAZTESA-N 0 0 452.498 4.737 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001447124439 1066776702 /nfs/dbraw/zinc/77/67/02/1066776702.db2.gz DNKDUJMICQJZNH-INIZCTEOSA-N 0 0 453.461 4.702 20 0 JJADRN Cc1nc(N2CCN(C(=O)c3cc(Nc4nc(C)cc(C)n4)ccc3Cl)CC2)sc1C ZINC001447124993 1066776798 /nfs/dbraw/zinc/77/67/98/1066776798.db2.gz YLDVUWUIWFYFGW-UHFFFAOYSA-N 0 0 457.003 4.526 20 0 JJADRN Cc1nc(C)c(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492659760 1066776797 /nfs/dbraw/zinc/77/67/97/1066776797.db2.gz BLFIPNIXVFYTPT-INIZCTEOSA-N 0 0 464.060 4.818 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OC(C)(C)C)cc3)cs2)cc1OC ZINC001457165640 1066777578 /nfs/dbraw/zinc/77/75/78/1066777578.db2.gz BXMJEVFVMXVFSM-UHFFFAOYSA-N 0 0 454.548 4.713 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492660635 1066778156 /nfs/dbraw/zinc/77/81/56/1066778156.db2.gz YFHKZEOPUAGGOB-UHFFFAOYSA-N 0 0 497.974 4.992 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(Br)c3)cs2)cc1OC ZINC001457167223 1066778091 /nfs/dbraw/zinc/77/80/91/1066778091.db2.gz RKWOUAXPDSASOC-UHFFFAOYSA-N 0 0 451.317 4.910 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492660826 1066778513 /nfs/dbraw/zinc/77/85/13/1066778513.db2.gz WIKLMFNXFZVOPZ-HNNXBMFYSA-N 0 0 469.508 4.897 20 0 JJADRN Cn1cc(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)c2ccccc2c1=O ZINC001457168428 1066778574 /nfs/dbraw/zinc/77/85/74/1066778574.db2.gz LFVQHABUNZXYSW-UHFFFAOYSA-N 0 0 453.380 4.933 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2=O)cc1 ZINC001457168382 1066778624 /nfs/dbraw/zinc/77/86/24/1066778624.db2.gz KWTOPVDTJBGWSX-KRWDZBQOSA-N 0 0 451.910 4.523 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001492660815 1066778597 /nfs/dbraw/zinc/77/85/97/1066778597.db2.gz VUYMYTVXFDBYJX-MOPGFXCFSA-N 0 0 474.675 4.954 20 0 JJADRN Cc1nc(C)c(Cn2c(N(CCO)Cc3ccc(F)c(Br)c3)nnc2C(C)(C)C)s1 ZINC001492660783 1066778653 /nfs/dbraw/zinc/77/86/53/1066778653.db2.gz UWGYDYPLILYTDZ-UHFFFAOYSA-N 0 0 496.450 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCCN2CCCCCC2=O)cs1 ZINC001492661083 1066779014 /nfs/dbraw/zinc/77/90/14/1066779014.db2.gz COHUWEMHCJWIRO-QGZVFWFLSA-N 0 0 472.684 4.685 20 0 JJADRN CN(CCCN(C)C(=O)OC(C)(C)C)Cc1cc(Br)sc1Br ZINC001560888545 1066779094 /nfs/dbraw/zinc/77/90/94/1066779094.db2.gz GNKMJGORNJQDON-UHFFFAOYSA-N 0 0 456.244 4.962 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)n2)c1 ZINC001457169722 1066779157 /nfs/dbraw/zinc/77/91/57/1066779157.db2.gz MREGWPYAFUZPRK-NSHDSACASA-N 0 0 456.861 4.992 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492660842 1066779278 /nfs/dbraw/zinc/77/92/78/1066779278.db2.gz WUCPUSXAXNKFEY-UHFFFAOYSA-N 0 0 464.035 4.883 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001447162338 1066779232 /nfs/dbraw/zinc/77/92/32/1066779232.db2.gz COJMPJLPTQFAFF-NTMALXAHSA-N 0 0 451.527 4.613 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)N1CCCC1=O ZINC001447163803 1066779330 /nfs/dbraw/zinc/77/93/30/1066779330.db2.gz ZTEZGJHOFJLYLN-GOSISDBHSA-N 0 0 452.299 4.810 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001457170142 1066779245 /nfs/dbraw/zinc/77/92/45/1066779245.db2.gz HHELILRNQVFJGB-RYUDHWBXSA-N 0 0 450.283 4.833 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cccc(N2CCNC2=O)c1 ZINC001457171414 1066779780 /nfs/dbraw/zinc/77/97/80/1066779780.db2.gz XPCGNLOXEFQDFA-UHFFFAOYSA-N 0 0 456.384 4.611 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1 ZINC001447165887 1066779738 /nfs/dbraw/zinc/77/97/38/1066779738.db2.gz VQWFPVFQSWZRHA-UHFFFAOYSA-N 0 0 455.555 4.889 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)n2)c1 ZINC001457172030 1066780159 /nfs/dbraw/zinc/78/01/59/1066780159.db2.gz SMZHTAVLTTUNAM-HNNXBMFYSA-N 0 0 452.511 4.892 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)cc1 ZINC001457173694 1066780219 /nfs/dbraw/zinc/78/02/19/1066780219.db2.gz XUONXWUFKSCSSS-UHFFFAOYSA-N 0 0 459.384 4.935 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnc(C)s2)CCO1 ZINC001546088044 1066780241 /nfs/dbraw/zinc/78/02/41/1066780241.db2.gz YRRUWLZREUXISY-NRFANRHFSA-N 0 0 492.443 4.535 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)CCC2 ZINC001447171866 1066780344 /nfs/dbraw/zinc/78/03/44/1066780344.db2.gz CEWHDXGGVKDFAS-QGZVFWFLSA-N 0 0 452.551 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492661666 1066780705 /nfs/dbraw/zinc/78/07/05/1066780705.db2.gz KULGMDLRILHAKQ-GOEBONIOSA-N 0 0 466.611 4.945 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2(O)CCCCC2)cs1 ZINC001492661533 1066780733 /nfs/dbraw/zinc/78/07/33/1066780733.db2.gz JXSZEEXBOAPSGZ-HNNXBMFYSA-N 0 0 461.582 4.805 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(O)cc2F)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001546088208 1066780718 /nfs/dbraw/zinc/78/07/18/1066780718.db2.gz FSTVNHOFNNKSDJ-UHFFFAOYSA-N 0 0 452.866 4.685 20 0 JJADRN COc1cc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)ccc1Br ZINC001457178573 1066780782 /nfs/dbraw/zinc/78/07/82/1066780782.db2.gz MMUAGORTCKSTDN-SFHVURJKSA-N 0 0 453.745 4.679 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(C(=O)OC(C)(C)C)cc3)c12 ZINC001457173912 1066780819 /nfs/dbraw/zinc/78/08/19/1066780819.db2.gz ZUSVEMYZQATJBL-UHFFFAOYSA-N 0 0 456.546 4.829 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)CC3CCOCC3)cc2)c(C)c1C ZINC001447184052 1066780910 /nfs/dbraw/zinc/78/09/10/1066780910.db2.gz RPQKKGMZJLVEJL-UHFFFAOYSA-N 0 0 458.624 4.528 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1Cl ZINC001447182880 1066780939 /nfs/dbraw/zinc/78/09/39/1066780939.db2.gz CTRISNQHTOSSTM-INIZCTEOSA-N 0 0 452.864 4.526 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492661978 1066781196 /nfs/dbraw/zinc/78/11/96/1066781196.db2.gz ODXRHUKPAHBBDP-QWBMQUOSSA-N 0 0 475.659 4.707 20 0 JJADRN CC(C)Oc1cccc(CN(C)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC001447188429 1066781254 /nfs/dbraw/zinc/78/12/54/1066781254.db2.gz VLXUKULAWVAIEL-UHFFFAOYSA-N 0 0 450.608 4.742 20 0 JJADRN CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)CC1=O ZINC001447198658 1066781773 /nfs/dbraw/zinc/78/17/73/1066781773.db2.gz MDYMCACYPXVGDN-HOCLYGCPSA-N 0 0 454.518 4.519 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2Cc2ccnc(OC(F)F)c2)cs1 ZINC001492662179 1066781920 /nfs/dbraw/zinc/78/19/20/1066781920.db2.gz PWPZDZRFHMQWAY-OAHLLOKOSA-N 0 0 470.549 4.876 20 0 JJADRN C[C@H](OC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457184669 1066781751 /nfs/dbraw/zinc/78/17/51/1066781751.db2.gz JBWHSCQHVXCADC-KRWDZBQOSA-N 0 0 453.970 4.702 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccco3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001492662491 1066782280 /nfs/dbraw/zinc/78/22/80/1066782280.db2.gz VCZBQJNGRXORRJ-CQSZACIVSA-N 0 0 496.584 4.584 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)c1 ZINC001457186617 1066782295 /nfs/dbraw/zinc/78/22/95/1066782295.db2.gz CYYUVDKOMIVDNG-QTLSWZBMSA-N 0 0 451.166 4.828 20 0 JJADRN O=C(COc1cccc(NC(=O)C2CC2)c1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC001447203884 1066782314 /nfs/dbraw/zinc/78/23/14/1066782314.db2.gz UCKBYAXXNHRFSR-UHFFFAOYSA-N 0 0 455.967 4.550 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC001447209789 1066782728 /nfs/dbraw/zinc/78/27/28/1066782728.db2.gz VHESWQIZSMDFEG-OAHLLOKOSA-N 0 0 455.967 4.560 20 0 JJADRN CCN(C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccccc1S(=O)(=O)CC ZINC001457190480 1066782730 /nfs/dbraw/zinc/78/27/30/1066782730.db2.gz JEDDRENLZXEXCC-UHFFFAOYSA-N 0 0 456.589 4.769 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CCO2)no1 ZINC001492662987 1066782754 /nfs/dbraw/zinc/78/27/54/1066782754.db2.gz PIYXMLAUKNNLEY-JXFKEZNVSA-N 0 0 472.565 4.653 20 0 JJADRN O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001457189302 1066782816 /nfs/dbraw/zinc/78/28/16/1066782816.db2.gz JIUWKRKGJJKTTB-GOSISDBHSA-N 0 0 456.342 4.771 20 0 JJADRN O=C(CSc1nnnn1C1CCCC1)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001457188850 1066782893 /nfs/dbraw/zinc/78/28/93/1066782893.db2.gz OXHXRAYNGSBMCG-AWEZNQCLSA-N 0 0 454.396 4.746 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC001447228740 1066783269 /nfs/dbraw/zinc/78/32/69/1066783269.db2.gz BURFQHCPILKLQL-CYBMUJFWSA-N 0 0 451.470 4.591 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001457191822 1066783362 /nfs/dbraw/zinc/78/33/62/1066783362.db2.gz NDBNVIBNINZVIA-DWQUBVKVSA-N 0 0 458.205 4.645 20 0 JJADRN O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccn(C2CCOCC2)n1 ZINC001457192057 1066783801 /nfs/dbraw/zinc/78/38/01/1066783801.db2.gz OTSLXAISBAHJBF-HNNXBMFYSA-N 0 0 451.214 4.597 20 0 JJADRN Cn1c(=O)cc(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)c2ccccc21 ZINC001457192053 1066783907 /nfs/dbraw/zinc/78/39/07/1066783907.db2.gz OPOCUVIFSDQBNW-QGZVFWFLSA-N 0 0 458.205 4.901 20 0 JJADRN CC(C)C(=O)NCCN(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001447249506 1066785036 /nfs/dbraw/zinc/78/50/36/1066785036.db2.gz HNXGBRGAEMSOOR-UHFFFAOYSA-N 0 0 454.368 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC001457196194 1066785435 /nfs/dbraw/zinc/78/54/35/1066785435.db2.gz NSNITNLQWHWBPS-HNNXBMFYSA-N 0 0 457.384 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCc2cccc(OC(F)(F)F)c2)co1 ZINC001457196911 1066785450 /nfs/dbraw/zinc/78/54/50/1066785450.db2.gz CNBCKISDBNETND-INIZCTEOSA-N 0 0 455.433 4.575 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@]2(O)CCC[C@H]2C)cs1 ZINC001492665243 1066786090 /nfs/dbraw/zinc/78/60/90/1066786090.db2.gz BHOFSUVBLHPHOB-IVZQSRNASA-N 0 0 479.572 4.840 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)c2)cc1F ZINC001457197921 1066786099 /nfs/dbraw/zinc/78/60/99/1066786099.db2.gz HVUDYTBORHSXOE-LEWJYISDSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3Br)[C@H](C)C2)cc1C ZINC001457198315 1066786147 /nfs/dbraw/zinc/78/61/47/1066786147.db2.gz JHQYHYFUKZWEQG-GOSISDBHSA-N 0 0 453.384 4.603 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC001492665382 1066786637 /nfs/dbraw/zinc/78/66/37/1066786637.db2.gz GYEBAJIFPIWEGA-UHFFFAOYSA-N 0 0 488.539 4.655 20 0 JJADRN COc1ccc(Cl)cc1NCCC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199656 1066786699 /nfs/dbraw/zinc/78/66/99/1066786699.db2.gz UXVQKPCFRULWLO-QGZVFWFLSA-N 0 0 454.011 4.694 20 0 JJADRN CCc1c(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1Cc1ccccc1 ZINC001457198609 1066786798 /nfs/dbraw/zinc/78/67/98/1066786798.db2.gz RYWYWJZYFJPFNZ-FQEVSTJZSA-N 0 0 454.615 4.651 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 ZINC001447274395 1066786916 /nfs/dbraw/zinc/78/69/16/1066786916.db2.gz CFPZFASJEOEXEZ-HNNXBMFYSA-N 0 0 450.348 4.552 20 0 JJADRN COc1ccc(/C=C(/C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c2cccs2)cc1 ZINC001457200815 1066787301 /nfs/dbraw/zinc/78/73/01/1066787301.db2.gz RBDUXFKVBOKJJI-UKQGIEBLSA-N 0 0 452.963 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2CCc2nccc(C(F)(F)F)n2)cs1 ZINC001492665529 1066787177 /nfs/dbraw/zinc/78/71/77/1066787177.db2.gz LWLGTCVPPAYXAW-UHFFFAOYSA-N 0 0 487.555 4.630 20 0 JJADRN CCc1cc2c(CC(=O)N(CCO)Cc3cc(Br)ccc3F)csc2s1 ZINC001447277597 1066787348 /nfs/dbraw/zinc/78/73/48/1066787348.db2.gz NMTVMKNDNVQJIG-UHFFFAOYSA-N 0 0 456.402 4.990 20 0 JJADRN O=C(c1ccccc1SC(F)(F)F)N(CCO)Cc1cc(Br)ccc1F ZINC001447277351 1066787398 /nfs/dbraw/zinc/78/73/98/1066787398.db2.gz LXKFREIULGAWEQ-UHFFFAOYSA-N 0 0 452.267 4.835 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001457202171 1066787711 /nfs/dbraw/zinc/78/77/11/1066787711.db2.gz UZFMAQTYSZALFN-UHFFFAOYSA-N 0 0 453.344 4.678 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3Cl)n2CCCNc2ccccn2)cs1 ZINC001492665792 1066787798 /nfs/dbraw/zinc/78/77/98/1066787798.db2.gz VTJUUXSGALRNIH-UHFFFAOYSA-N 0 0 468.030 4.821 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C ZINC001545994140 1066788084 /nfs/dbraw/zinc/78/80/84/1066788084.db2.gz PJLSNRFQFWPXGX-UHFFFAOYSA-N 0 0 454.405 4.810 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccccc1-c1cnn(C)c1 ZINC001447289964 1066788099 /nfs/dbraw/zinc/78/80/99/1066788099.db2.gz UFUCRWZGACAZPI-UHFFFAOYSA-N 0 0 451.983 4.643 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 ZINC001457202914 1066788132 /nfs/dbraw/zinc/78/81/32/1066788132.db2.gz UEBXCKURTQGXBF-SFHVURJKSA-N 0 0 457.361 4.604 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCOc2ccc(Cl)cn2)cs1 ZINC001492665901 1066788241 /nfs/dbraw/zinc/78/82/41/1066788241.db2.gz CBGJXXSQSNRIPZ-UHFFFAOYSA-N 0 0 472.977 4.537 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001545994179 1066788628 /nfs/dbraw/zinc/78/86/28/1066788628.db2.gz QRHHPKDXPJONHB-QGZVFWFLSA-N 0 0 455.393 4.596 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC001447291298 1066788638 /nfs/dbraw/zinc/78/86/38/1066788638.db2.gz KCISINFXTQZDTF-UHFFFAOYSA-N 0 0 451.350 4.735 20 0 JJADRN O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c1 ZINC001447292953 1066788755 /nfs/dbraw/zinc/78/87/55/1066788755.db2.gz ZZJOWLFCOBIZDR-UHFFFAOYSA-N 0 0 450.494 4.806 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492666034 1066788841 /nfs/dbraw/zinc/78/88/41/1066788841.db2.gz FCWHMCWZLLIYAN-UHFFFAOYSA-N 0 0 465.476 4.776 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(I)c[nH]4)cc3)ccc2O1 ZINC001447301308 1066789360 /nfs/dbraw/zinc/78/93/60/1066789360.db2.gz FDFPPUQGLGWFMA-ZDUSSCGKSA-N 0 0 458.299 4.540 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457205142 1066789268 /nfs/dbraw/zinc/78/92/68/1066789268.db2.gz DMNVILBYTAPUPR-CXAGYDPISA-N 0 0 459.812 4.797 20 0 JJADRN C[C@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457205150 1066789387 /nfs/dbraw/zinc/78/93/87/1066789387.db2.gz DMNVILBYTAPUPR-GUYCJALGSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)OC1CCCC1 ZINC001457204783 1066789397 /nfs/dbraw/zinc/78/93/97/1066789397.db2.gz CJPYWTLPZMQMCJ-ZDUSSCGKSA-N 0 0 450.304 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001457205457 1066789433 /nfs/dbraw/zinc/78/94/33/1066789433.db2.gz YEGWDNFQOFKILN-XMSQKQJNSA-N 0 0 457.398 4.809 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492666083 1066789318 /nfs/dbraw/zinc/78/93/18/1066789318.db2.gz ZQUQYGIDOZHLOC-MRXNPFEDSA-N 0 0 488.633 4.570 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457207232 1066789787 /nfs/dbraw/zinc/78/97/87/1066789787.db2.gz JGVFELZYJNPWMK-CXAGYDPISA-N 0 0 459.812 4.797 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001492666144 1066789946 /nfs/dbraw/zinc/78/99/46/1066789946.db2.gz INQNVAKYDNYFMX-IBGZPJMESA-N 0 0 490.471 4.848 20 0 JJADRN CCCc1c(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001457206469 1066790012 /nfs/dbraw/zinc/79/00/12/1066790012.db2.gz YSJLQDUESAELOC-QHCPKHFHSA-N 0 0 454.615 4.534 20 0 JJADRN COC[C@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccc(C)o1 ZINC001457207801 1066790320 /nfs/dbraw/zinc/79/03/20/1066790320.db2.gz LBNCZWRQWQJTCY-KDOFPFPSSA-N 0 0 455.336 4.655 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001457208475 1066790369 /nfs/dbraw/zinc/79/03/69/1066790369.db2.gz PFUSHSITOGERLX-KBXCAEBGSA-N 0 0 453.967 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCCc2ccccc2F)cs1 ZINC001492666164 1066790456 /nfs/dbraw/zinc/79/04/56/1066790456.db2.gz JSEYXVZZEZNKJE-UHFFFAOYSA-N 0 0 456.616 4.807 20 0 JJADRN CSc1cccc([C@@H](NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c2ccc(F)c(F)c2)c1 ZINC001457208839 1066790701 /nfs/dbraw/zinc/79/07/01/1066790701.db2.gz UVFSZVQIFGOOSU-IQMFZBJNSA-N 0 0 452.526 4.937 20 0 JJADRN CSc1cccc([C@H](NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c2ccc(F)c(F)c2)c1 ZINC001457208836 1066790777 /nfs/dbraw/zinc/79/07/77/1066790777.db2.gz UVFSZVQIFGOOSU-CMJOXMDJSA-N 0 0 452.526 4.937 20 0 JJADRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c1 ZINC001447316752 1066791008 /nfs/dbraw/zinc/79/10/08/1066791008.db2.gz NKUBYKHVMOQVDS-VQTJNVASSA-N 0 0 451.473 4.741 20 0 JJADRN CC[C@H](C)c1ccc(-c2cc(C(=O)NCC3CCS(=O)(=O)CC3)c3ccccc3n2)cc1 ZINC001447317180 1066791157 /nfs/dbraw/zinc/79/11/57/1066791157.db2.gz YTVYEACUABOXEV-SFHVURJKSA-N 0 0 450.604 4.970 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C)[C@H]3CNC(=O)OC(C)(C)C)s2)cc1 ZINC001457209528 1066791242 /nfs/dbraw/zinc/79/12/42/1066791242.db2.gz UGSWHQWSRWDYRK-HNAYVOBHSA-N 0 0 459.612 4.893 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cn4)c3)CCO2)cc1OC ZINC001457209930 1066791308 /nfs/dbraw/zinc/79/13/08/1066791308.db2.gz BWNJKLFFHLOEGZ-JOCHJYFZSA-N 0 0 454.910 4.758 20 0 JJADRN Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)n(C)n1 ZINC001447320151 1066791546 /nfs/dbraw/zinc/79/15/46/1066791546.db2.gz UGGYIRIPQSXPQG-MHZLTWQESA-N 0 0 455.558 4.684 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC001447318888 1066791612 /nfs/dbraw/zinc/79/16/12/1066791612.db2.gz NYULEXSGJOZVPD-UHFFFAOYSA-N 0 0 458.356 4.853 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)CCO2)cc1OC ZINC001457212168 1066791676 /nfs/dbraw/zinc/79/16/76/1066791676.db2.gz HYFSCMKEUYCDES-PSXSOWLISA-N 0 0 457.395 4.772 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001457211485 1066791685 /nfs/dbraw/zinc/79/16/85/1066791685.db2.gz XROXGOYXDRFPLL-FXAWDEMLSA-N 0 0 455.555 4.606 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CCO2)cc1OC ZINC001457214051 1066792038 /nfs/dbraw/zinc/79/20/38/1066792038.db2.gz POSSKJPWLFNPCT-IBGZPJMESA-N 0 0 458.864 4.545 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001492666534 1066792041 /nfs/dbraw/zinc/79/20/41/1066792041.db2.gz XXDAWQLSPOYQDM-IBGZPJMESA-N 0 0 477.581 4.687 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccon3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)cs1 ZINC001492666812 1066792413 /nfs/dbraw/zinc/79/24/13/1066792413.db2.gz IYCLLRMPINDVQT-LJQANCHMSA-N 0 0 480.491 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457217741 1066792601 /nfs/dbraw/zinc/79/26/01/1066792601.db2.gz NLEXGJVXIQBPLQ-QUCCMNQESA-N 0 0 453.539 4.600 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC=C(C(F)(F)F)CC2)CC1 ZINC001447327486 1066792902 /nfs/dbraw/zinc/79/29/02/1066792902.db2.gz FMYVOEHAVNRABL-KCZVDYSFSA-N 0 0 450.545 4.897 20 0 JJADRN O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447326661 1066793037 /nfs/dbraw/zinc/79/30/37/1066793037.db2.gz LNWFQMPRFRZPQY-KFKAGJAMSA-N 0 0 455.179 4.663 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001457220403 1066792939 /nfs/dbraw/zinc/79/29/39/1066792939.db2.gz GTDJWUHFUILLKZ-BXKMTCNYSA-N 0 0 458.599 4.832 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001492667357 1066793371 /nfs/dbraw/zinc/79/33/71/1066793371.db2.gz CVSRNVYIDRLEOM-KRWDZBQOSA-N 0 0 496.628 4.586 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001492667358 1066793398 /nfs/dbraw/zinc/79/33/98/1066793398.db2.gz CVSRNVYIDRLEOM-QGZVFWFLSA-N 0 0 496.628 4.586 20 0 JJADRN O=C(C[C@@H](n1ccnc1)C(F)(F)F)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001447327881 1066793433 /nfs/dbraw/zinc/79/34/33/1066793433.db2.gz HNCGPDFVAYGKBI-QGZVFWFLSA-N 0 0 453.509 4.858 20 0 JJADRN O=C(C[C@H](n1ccnc1)C(F)(F)F)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001447327872 1066793583 /nfs/dbraw/zinc/79/35/83/1066793583.db2.gz HNCGPDFVAYGKBI-KRWDZBQOSA-N 0 0 453.509 4.858 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)(F)C3)n2CCc2ccc(F)c(F)c2)cs1 ZINC001492666698 1066793952 /nfs/dbraw/zinc/79/39/52/1066793952.db2.gz DWPJMOXQUKRTMH-UHFFFAOYSA-N 0 0 453.509 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC2(C)CCOCC2)cs1 ZINC001492666590 1066793965 /nfs/dbraw/zinc/79/39/65/1066793965.db2.gz ZUYYSNKHTASYRT-UHFFFAOYSA-N 0 0 469.655 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CCCN(C)c2ccccc2)cs1 ZINC001492667466 1066793979 /nfs/dbraw/zinc/79/39/79/1066793979.db2.gz GQMNGQQCHIPEOF-NRFANRHFSA-N 0 0 450.656 4.953 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2Cc2ccccc2Br)cs1 ZINC001492666699 1066793995 /nfs/dbraw/zinc/79/39/95/1066793995.db2.gz DXLVGQIEZUFGEU-UHFFFAOYSA-N 0 0 458.385 4.674 20 0 JJADRN CC[C@@H]1CN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC)CN1C(C)=O ZINC001457223501 1066793999 /nfs/dbraw/zinc/79/39/99/1066793999.db2.gz ADBAZYWULXQMCD-DFOOCIKTSA-N 0 0 450.423 4.985 20 0 JJADRN CC[C@@H]1CN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC)CN1C(C)=O ZINC001457223510 1066794031 /nfs/dbraw/zinc/79/40/31/1066794031.db2.gz ADBAZYWULXQMCD-XXCOWLKOSA-N 0 0 450.423 4.985 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492667411 1066794127 /nfs/dbraw/zinc/79/41/27/1066794127.db2.gz DXYSCZDRFPPCEZ-QGZVFWFLSA-N 0 0 459.566 4.784 20 0 JJADRN CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCCCC34CCCCCC4)cnn2c1 ZINC001457223577 1066794139 /nfs/dbraw/zinc/79/41/39/1066794139.db2.gz QRKGJAKYOMESSN-UHFFFAOYSA-N 0 0 455.603 4.516 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001457224921 1066794146 /nfs/dbraw/zinc/79/41/46/1066794146.db2.gz QKRVCNNACRWOIA-KWRJMZDGSA-N 0 0 459.587 4.853 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCOC3)n2CCc2ccc(Br)cc2)cs1 ZINC001492667684 1066794547 /nfs/dbraw/zinc/79/45/47/1066794547.db2.gz MHQJODJUOKSMNR-SFHVURJKSA-N 0 0 490.471 4.502 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)Oc1cccc(F)c1 ZINC001545994713 1066794577 /nfs/dbraw/zinc/79/45/77/1066794577.db2.gz DWTASPSVKIAVKT-QFIPXVFZSA-N 0 0 489.636 4.778 20 0 JJADRN O=C(Cc1csc(-c2ccccn2)n1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001457228167 1066794934 /nfs/dbraw/zinc/79/49/34/1066794934.db2.gz NADKRECNXUCSAQ-UHFFFAOYSA-N 0 0 450.745 4.589 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001447333454 1066794951 /nfs/dbraw/zinc/79/49/51/1066794951.db2.gz HQXHLDWQGXIDIV-SPLOXXLWSA-N 0 0 459.974 4.756 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)cc1 ZINC001457228200 1066795041 /nfs/dbraw/zinc/79/50/41/1066795041.db2.gz HMHQAVWUFQDQIB-UHFFFAOYSA-N 0 0 451.032 4.641 20 0 JJADRN O=C(Nc1cccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1)NC1CC1 ZINC001447335147 1066795322 /nfs/dbraw/zinc/79/53/22/1066795322.db2.gz RMGWELXRDLDXTD-UHFFFAOYSA-N 0 0 456.262 4.682 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC001447334210 1066795401 /nfs/dbraw/zinc/79/54/01/1066795401.db2.gz MMWPKNIUEXBZTA-UHFFFAOYSA-N 0 0 451.354 4.528 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492668160 1066795444 /nfs/dbraw/zinc/79/54/44/1066795444.db2.gz AAQAYTUJWAQBGG-UHFFFAOYSA-N 0 0 479.572 4.954 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(Br)c(F)cc1F ZINC001457231629 1066795456 /nfs/dbraw/zinc/79/54/56/1066795456.db2.gz NSPZAOJJBMYDJL-UHFFFAOYSA-N 0 0 457.278 4.967 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](c2cccnc2)C(C)C)cs1 ZINC001492668171 1066795554 /nfs/dbraw/zinc/79/55/54/1066795554.db2.gz AOALLELLXGTMRH-GOSISDBHSA-N 0 0 452.550 4.857 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)cnc1Cl ZINC001457231207 1066795581 /nfs/dbraw/zinc/79/55/81/1066795581.db2.gz SMVCHWBEEQJHOQ-AWEZNQCLSA-N 0 0 459.930 4.575 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001457233244 1066795869 /nfs/dbraw/zinc/79/58/69/1066795869.db2.gz ORRBDODDQWJCIT-FQEVSTJZSA-N 0 0 450.457 4.748 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1F ZINC001457233237 1066795885 /nfs/dbraw/zinc/79/58/85/1066795885.db2.gz OQDYYELJNPPYGA-QGZVFWFLSA-N 0 0 450.348 4.851 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001457233247 1066795994 /nfs/dbraw/zinc/79/59/94/1066795994.db2.gz ORRBDODDQWJCIT-HXUWFJFHSA-N 0 0 450.457 4.748 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457234291 1066796016 /nfs/dbraw/zinc/79/60/16/1066796016.db2.gz PRBKAYYCOUSDMN-KNQAVFIVSA-N 0 0 452.904 4.703 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2C)cs1 ZINC001492668673 1066796861 /nfs/dbraw/zinc/79/68/61/1066796861.db2.gz UBAOEVBBKCZYBS-QFBILLFUSA-N 0 0 460.047 4.639 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001457241346 1066797071 /nfs/dbraw/zinc/79/70/71/1066797071.db2.gz CSABDRSZPUWQDA-KSSFIOAISA-N 0 0 455.839 4.770 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2Cc2cccc(C(F)F)c2)cs1 ZINC001492668788 1066797468 /nfs/dbraw/zinc/79/74/68/1066797468.db2.gz XQEQXKJTKILFMI-UHFFFAOYSA-N 0 0 461.582 4.873 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)C(F)(F)F ZINC001457243495 1066797714 /nfs/dbraw/zinc/79/77/14/1066797714.db2.gz FFDWNIOEUROHLP-SFHVURJKSA-N 0 0 450.486 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC001457256250 1066798063 /nfs/dbraw/zinc/79/80/63/1066798063.db2.gz FQBSTXOWWGBGLN-UHFFFAOYSA-N 0 0 453.486 4.664 20 0 JJADRN Cc1cnc2nc(C(=O)Nc3cc(Br)ccc3Oc3ccc(Cl)cc3)nn2c1 ZINC001457263729 1066798582 /nfs/dbraw/zinc/79/85/82/1066798582.db2.gz CDSJKDZHEQPTRL-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001457261732 1066798630 /nfs/dbraw/zinc/79/86/30/1066798630.db2.gz ZHDUAMJXXKFPNB-UHFFFAOYSA-N 0 0 452.020 4.988 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)C(F)(F)F ZINC001457263013 1066798753 /nfs/dbraw/zinc/79/87/53/1066798753.db2.gz GFXQQLNAKNQCOA-XLFHBGCDSA-N 0 0 450.274 4.852 20 0 JJADRN CCc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1cccc(Cl)c1 ZINC001457263154 1066798795 /nfs/dbraw/zinc/79/87/95/1066798795.db2.gz BCNRXBUVQQBKPW-MJGOQNOKSA-N 0 0 458.990 4.702 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(CC)(CC)c1ccc(OC)c(OC)c1 ZINC001447363776 1066799170 /nfs/dbraw/zinc/79/91/70/1066799170.db2.gz XBECFDKCCZSXJG-HJYANYFWSA-N 0 0 474.642 4.937 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001457265146 1066799213 /nfs/dbraw/zinc/79/92/13/1066799213.db2.gz IAKAYORHBBTFOC-RTWAWAEBSA-N 0 0 458.558 4.816 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C3CCCC3)n2Cc2ccc(NC(N)=O)cc2)cs1 ZINC001492670288 1066799573 /nfs/dbraw/zinc/79/95/73/1066799573.db2.gz QYAWXDPNKKNNLT-UHFFFAOYSA-N 0 0 467.643 4.578 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001457267268 1066799685 /nfs/dbraw/zinc/79/96/85/1066799685.db2.gz ORXSJQXRQICBBR-XIKOKIGWSA-N 0 0 454.493 4.656 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001457267263 1066799729 /nfs/dbraw/zinc/79/97/29/1066799729.db2.gz ORXSJQXRQICBBR-SGTLLEGYSA-N 0 0 454.493 4.656 20 0 JJADRN CSc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC001457265860 1066799826 /nfs/dbraw/zinc/79/98/26/1066799826.db2.gz KOEIEYBKVNYHTI-LBPRGKRZSA-N 0 0 451.422 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2Cc2ccc(C(C)(C)O)cc2)cs1 ZINC001492670363 1066800040 /nfs/dbraw/zinc/80/00/40/1066800040.db2.gz GNCVGPUZOBXOTQ-QGZVFWFLSA-N 0 0 453.656 4.782 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492670709 1066800116 /nfs/dbraw/zinc/80/01/16/1066800116.db2.gz IWZYYHFPNLOWRU-VXGBXAGGSA-N 0 0 453.509 4.721 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC001447369097 1066800209 /nfs/dbraw/zinc/80/02/09/1066800209.db2.gz MWZNUDHIYDADEM-LJQANCHMSA-N 0 0 456.388 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2sccc2Br)cs1 ZINC001492670824 1066800702 /nfs/dbraw/zinc/80/07/02/1066800702.db2.gz LCGAQBHMTMCZPB-GFCCVEGCSA-N 0 0 482.473 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccc(Cl)s2)cs1 ZINC001492670774 1066800765 /nfs/dbraw/zinc/80/07/65/1066800765.db2.gz KEPCTHLMFYMLCS-HZMBPMFUSA-N 0 0 477.965 4.553 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2Cc2ncccc2N(C)C)cs1 ZINC001492670483 1066800823 /nfs/dbraw/zinc/80/08/23/1066800823.db2.gz VTCZQHOFWZAHBJ-UHFFFAOYSA-N 0 0 479.629 4.697 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)Cc3coc4c3ccc(OC)c4C)ccc2C)ccn1 ZINC001457270634 1066800796 /nfs/dbraw/zinc/80/07/96/1066800796.db2.gz SBNOYDAXYFEAFI-UHFFFAOYSA-N 0 0 459.502 4.786 20 0 JJADRN C[C@H](C(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21)n1ccc(C(F)(F)F)n1 ZINC001457269234 1066800848 /nfs/dbraw/zinc/80/08/48/1066800848.db2.gz WRIGWQLVPWJBGP-DLBZAZTESA-N 0 0 456.468 4.679 20 0 JJADRN CCCc1c(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cnn1-c1cc(C)ccn1 ZINC001447379175 1066801227 /nfs/dbraw/zinc/80/12/27/1066801227.db2.gz INTBAHFZAPTUCR-RBUKOAKNSA-N 0 0 455.603 4.940 20 0 JJADRN CCCc1c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cnn1-c1cc(C)ccn1 ZINC001447375120 1066801285 /nfs/dbraw/zinc/80/12/85/1066801285.db2.gz BGXAAWPRTNKOPY-UHFFFAOYSA-N 0 0 454.456 4.985 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545995173 1066801376 /nfs/dbraw/zinc/80/13/76/1066801376.db2.gz NSYLIPTVXNGYIT-UYAOXDASSA-N 0 0 457.619 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)cs1 ZINC001492671008 1066801296 /nfs/dbraw/zinc/80/12/96/1066801296.db2.gz OIPNLUDFTOEALH-KSMMKXTCSA-N 0 0 494.434 4.721 20 0 JJADRN CC(C)(C(=O)O[C@H]1CCCc2cc(F)ccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC001457276459 1066801926 /nfs/dbraw/zinc/80/19/26/1066801926.db2.gz UZLJZEUTMTYCGY-SFHVURJKSA-N 0 0 455.345 4.761 20 0 JJADRN C/C(=C/C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1C(F)(F)F ZINC001457277168 1066802131 /nfs/dbraw/zinc/80/21/31/1066802131.db2.gz HJBVILZUGKEYFN-POHAHGRESA-N 0 0 455.230 4.841 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001457275651 1066802159 /nfs/dbraw/zinc/80/21/59/1066802159.db2.gz UQCHCXFFTDVYDK-RAXLEYEMSA-N 0 0 454.375 4.749 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001447392361 1066802603 /nfs/dbraw/zinc/80/26/03/1066802603.db2.gz LKFPUPPVFKPTDW-UHFFFAOYSA-N 0 0 455.342 4.661 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001492671479 1066802640 /nfs/dbraw/zinc/80/26/40/1066802640.db2.gz XMWBZCRTZIATTR-ROUUACIJSA-N 0 0 486.686 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCOc2cccc(Cl)c2)cs1 ZINC001492671506 1066802761 /nfs/dbraw/zinc/80/27/61/1066802761.db2.gz XXUNUMWEYNFDDL-UHFFFAOYSA-N 0 0 476.046 4.760 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC001447396141 1066803359 /nfs/dbraw/zinc/80/33/59/1066803359.db2.gz FEHBHACLOSBQDX-UHFFFAOYSA-N 0 0 451.592 4.901 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001492671963 1066803748 /nfs/dbraw/zinc/80/37/48/1066803748.db2.gz JPVAWYPKPABNRL-UHFFFAOYSA-N 0 0 479.576 4.542 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)c1cccc(C3CCCC3)c1)CCO2 ZINC001457287103 1066803770 /nfs/dbraw/zinc/80/37/70/1066803770.db2.gz JXRCDKQTWLEHEJ-UHFFFAOYSA-N 0 0 458.352 4.928 20 0 JJADRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC001457282911 1066803994 /nfs/dbraw/zinc/80/39/94/1066803994.db2.gz CAFVLEQHQUCKBO-NSHDSACASA-N 0 0 456.326 4.594 20 0 JJADRN O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447399304 1066804051 /nfs/dbraw/zinc/80/40/51/1066804051.db2.gz HTHFHLXVHDVOPV-NRFANRHFSA-N 0 0 450.385 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492671894 1066803989 /nfs/dbraw/zinc/80/39/89/1066803989.db2.gz HSGUFQLPXXSODX-MRXNPFEDSA-N 0 0 464.561 4.968 20 0 JJADRN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001457287733 1066804386 /nfs/dbraw/zinc/80/43/86/1066804386.db2.gz ZAWQUQXMMRMBLP-IBGZPJMESA-N 0 0 452.986 4.521 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2ccc(N(C)C)cc2)cs1 ZINC001492672542 1066804549 /nfs/dbraw/zinc/80/45/49/1066804549.db2.gz CSTRBFWUMQLQNI-UHFFFAOYSA-N 0 0 478.588 4.721 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001457287740 1066804539 /nfs/dbraw/zinc/80/45/39/1066804539.db2.gz ZAWQUQXMMRMBLP-LJQANCHMSA-N 0 0 452.986 4.521 20 0 JJADRN CCC1(CC)CN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCS1 ZINC001447404990 1066804676 /nfs/dbraw/zinc/80/46/76/1066804676.db2.gz SKABSYRIYKJMGB-UHFFFAOYSA-N 0 0 456.637 4.813 20 0 JJADRN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001457291229 1066805055 /nfs/dbraw/zinc/80/50/55/1066805055.db2.gz LRCCNHABDMAXIL-INIZCTEOSA-N 0 0 450.283 4.915 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1N ZINC001447408602 1066805183 /nfs/dbraw/zinc/80/51/83/1066805183.db2.gz MOOUJYBTUTYSKL-UHFFFAOYSA-N 0 0 454.372 4.501 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001447407598 1066805258 /nfs/dbraw/zinc/80/52/58/1066805258.db2.gz ALZUIBQXKZDVQK-XMMPIXPASA-N 0 0 459.587 4.655 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC001447407872 1066805288 /nfs/dbraw/zinc/80/52/88/1066805288.db2.gz YYBARGQGOSEBLD-UHFFFAOYSA-N 0 0 452.473 4.638 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCC(C)(C)C2CC2)cs1 ZINC001492672804 1066805497 /nfs/dbraw/zinc/80/54/97/1066805497.db2.gz YIAQJFPJQPBJDT-UHFFFAOYSA-N 0 0 472.703 4.543 20 0 JJADRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457294528 1066805708 /nfs/dbraw/zinc/80/57/08/1066805708.db2.gz LXKWWEZMROTFKP-MJGOQNOKSA-N 0 0 457.562 4.566 20 0 JJADRN O=C(Nc1ccc(-c2ccccc2)nn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001457294599 1066805781 /nfs/dbraw/zinc/80/57/81/1066805781.db2.gz QEHJSDDXUOHULQ-UHFFFAOYSA-N 0 0 454.452 4.653 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1)Oc1cccc(F)c1 ZINC001545995453 1066805897 /nfs/dbraw/zinc/80/58/97/1066805897.db2.gz SOMOSRMVSVUADU-QHCPKHFHSA-N 0 0 468.621 4.895 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492673298 1066806093 /nfs/dbraw/zinc/80/60/93/1066806093.db2.gz QJOMGJUQNOGHID-UHFFFAOYSA-N 0 0 464.561 4.917 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)C)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC001492673332 1066806304 /nfs/dbraw/zinc/80/63/04/1066806304.db2.gz QWNBVMRQNQQPPI-KRWDZBQOSA-N 0 0 480.560 4.501 20 0 JJADRN COc1ccc(COC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1SC(F)(F)F ZINC001457297434 1066806390 /nfs/dbraw/zinc/80/63/90/1066806390.db2.gz YEQDMRZDUBDCLX-UHFFFAOYSA-N 0 0 451.470 4.791 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001447419043 1066806869 /nfs/dbraw/zinc/80/68/69/1066806869.db2.gz QSUUIHDCVYCJFV-CQSZACIVSA-N 0 0 458.381 4.517 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC001457297944 1066806936 /nfs/dbraw/zinc/80/69/36/1066806936.db2.gz PYGKZKBGHNWINL-KPFBPEDLSA-N 0 0 452.448 4.640 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492673728 1066807399 /nfs/dbraw/zinc/80/73/99/1066807399.db2.gz AOIKIELROWUHCV-LJQANCHMSA-N 0 0 454.644 4.737 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C ZINC001447425346 1066807551 /nfs/dbraw/zinc/80/75/51/1066807551.db2.gz JTEHDMAIHAOICM-QGZVFWFLSA-N 0 0 454.567 4.547 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)NC(N)=O ZINC001447426327 1066807568 /nfs/dbraw/zinc/80/75/68/1066807568.db2.gz LHZBHBBDCHZDNZ-MOPGFXCFSA-N 0 0 452.555 4.551 20 0 JJADRN Cc1ccc2oc(C(=O)Nc3ccc(I)cc3Br)cc2n1 ZINC001457315684 1066808580 /nfs/dbraw/zinc/80/85/80/1066808580.db2.gz HAKVKDJLCHAKFC-UHFFFAOYSA-N 0 0 457.065 4.756 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492674358 1066809063 /nfs/dbraw/zinc/80/90/63/1066809063.db2.gz RKHJFYKCRYBRHU-QWHCGFSZSA-N 0 0 451.518 4.657 20 0 JJADRN O=C(/C=C/COc1ccccc1)Nc1ccc(I)cc1Br ZINC001457318052 1066809345 /nfs/dbraw/zinc/80/93/45/1066809345.db2.gz STXNRUJAAHCWIY-QPJJXVBHSA-N 0 0 458.093 4.627 20 0 JJADRN O=C(Nc1ccc(F)cc1I)c1cc(Br)c(F)cc1F ZINC001457317524 1066809359 /nfs/dbraw/zinc/80/93/59/1066809359.db2.gz QGDZSNLNVBYXIL-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)C4(CCC4)C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492674935 1066809715 /nfs/dbraw/zinc/80/97/15/1066809715.db2.gz YLFDALQECRZWNR-KRWDZBQOSA-N 0 0 474.675 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cccc(-c4cscn4)c3)cn2)CC1 ZINC001447440799 1066809787 /nfs/dbraw/zinc/80/97/87/1066809787.db2.gz BCHWLMUHOADWGV-UHFFFAOYSA-N 0 0 453.568 4.831 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCO1 ZINC001546089867 1066809946 /nfs/dbraw/zinc/80/99/46/1066809946.db2.gz XWQWCHJNCKNUNF-SIKLNZKXSA-N 0 0 463.479 4.967 20 0 JJADRN Cc1ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1Br ZINC001457325833 1066810346 /nfs/dbraw/zinc/81/03/46/1066810346.db2.gz KMSMGUUGZSBODG-MRXNPFEDSA-N 0 0 456.287 4.635 20 0 JJADRN Cc1ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1Br ZINC001457325830 1066810470 /nfs/dbraw/zinc/81/04/70/1066810470.db2.gz KMSMGUUGZSBODG-INIZCTEOSA-N 0 0 456.287 4.635 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2CCCCOC(C)C)cs1 ZINC001492675612 1066810919 /nfs/dbraw/zinc/81/09/19/1066810919.db2.gz DREPOESMFNCLQD-FXAWDEMLSA-N 0 0 472.486 4.859 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001447451586 1066811004 /nfs/dbraw/zinc/81/10/04/1066811004.db2.gz VKLVIKYVHAGCFE-HNNXBMFYSA-N 0 0 458.580 4.645 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)c1ccc2c(c1)CCCC2 ZINC001447451205 1066811046 /nfs/dbraw/zinc/81/10/46/1066811046.db2.gz PIUCKPLGDKJYEJ-QODFHFCMSA-N 0 0 456.627 4.937 20 0 JJADRN COc1cc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nc3ccccc32)cc(OC)c1 ZINC001457332055 1066811498 /nfs/dbraw/zinc/81/14/98/1066811498.db2.gz BGEVCJSQXFKJNC-UHFFFAOYSA-N 0 0 455.514 4.630 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC001457335510 1066811857 /nfs/dbraw/zinc/81/18/57/1066811857.db2.gz AVKXQBMMIIJXRL-NSHDSACASA-N 0 0 455.433 4.676 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC001457335310 1066811928 /nfs/dbraw/zinc/81/19/28/1066811928.db2.gz BNLIRQHOZHZZIX-XMMPIXPASA-N 0 0 457.599 4.726 20 0 JJADRN C[C@@H](C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)n1ccc(C(F)(F)F)n1 ZINC001447462355 1066812080 /nfs/dbraw/zinc/81/20/80/1066812080.db2.gz OEEVUASACVOOGN-BBRMVZONSA-N 0 0 451.424 4.796 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C/C=C\c2ccccc2)cs1 ZINC001492676016 1066812106 /nfs/dbraw/zinc/81/21/06/1066812106.db2.gz RSOLOUBBXVNGNI-FLIBITNWSA-N 0 0 494.665 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2nc(C)c(C)s2)cs1 ZINC001492676174 1066812116 /nfs/dbraw/zinc/81/21/16/1066812116.db2.gz XNFSVOJKQUNZNQ-UHFFFAOYSA-N 0 0 474.700 4.787 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCCCC(F)(F)C2)cs1 ZINC001492676059 1066812131 /nfs/dbraw/zinc/81/21/31/1066812131.db2.gz SXRGFMNCNMSHSY-OAHLLOKOSA-N 0 0 493.546 4.743 20 0 JJADRN Cc1ccc(CCC(=O)NC2CC3(C2)CC(NC(=O)OC(C)(C)C)C3)c(Br)c1 ZINC001457337903 1066812384 /nfs/dbraw/zinc/81/23/84/1066812384.db2.gz SSAUMAZYXFCZIR-UHFFFAOYSA-N 0 0 451.405 4.642 20 0 JJADRN COc1ccc(CC(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)c(Cl)c1OC ZINC001457336974 1066812410 /nfs/dbraw/zinc/81/24/10/1066812410.db2.gz DNIYGWHZBWNDOT-LBPRGKRZSA-N 0 0 454.748 4.785 20 0 JJADRN CCn1c(SCC(=O)NCCSc2c(C)[nH]c3ccccc32)nnc1-c1cccs1 ZINC001457337973 1066812445 /nfs/dbraw/zinc/81/24/45/1066812445.db2.gz GDAXAAVDQOSUPS-UHFFFAOYSA-N 0 0 457.650 4.817 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(Cn3ccccc3=O)o2)n1 ZINC001457340092 1066813028 /nfs/dbraw/zinc/81/30/28/1066813028.db2.gz LSZVLVVSKAACKJ-UHFFFAOYSA-N 0 0 452.898 4.644 20 0 JJADRN O=C(c1ccc(NCCc2ccccn2)cc1)N1CCc2c(Br)ccc(F)c2C1 ZINC001447468087 1066812970 /nfs/dbraw/zinc/81/29/70/1066812970.db2.gz XVEPIHBFFDNWCB-UHFFFAOYSA-N 0 0 454.343 4.836 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001545996545 1066813960 /nfs/dbraw/zinc/81/39/60/1066813960.db2.gz XRCUYAILUXAIOR-SIKLNZKXSA-N 0 0 452.423 4.960 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001545996544 1066813995 /nfs/dbraw/zinc/81/39/95/1066813995.db2.gz XRCUYAILUXAIOR-KNQAVFIVSA-N 0 0 452.423 4.960 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1)Oc1ccccc1C(F)(F)F ZINC001457344507 1066814231 /nfs/dbraw/zinc/81/42/31/1066814231.db2.gz QZXJZPRSYQFUKK-XIKOKIGWSA-N 0 0 458.839 4.965 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)N1CCO[C@H](CCc3ccccc3)C1)N2C(=O)OC(C)(C)C ZINC001447482451 1066814110 /nfs/dbraw/zinc/81/41/10/1066814110.db2.gz JPHMUKVYIRRAAD-QPPBQGQZSA-N 0 0 450.579 4.521 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)CCOc3ccc(Cl)c(Cl)c3)nc12 ZINC001447488062 1066814483 /nfs/dbraw/zinc/81/44/83/1066814483.db2.gz LDKLCBIRYLXUBN-UHFFFAOYSA-N 0 0 457.155 4.797 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)nc12 ZINC001447486754 1066814554 /nfs/dbraw/zinc/81/45/54/1066814554.db2.gz HXRJRTKJHODGCX-LLVKDONJSA-N 0 0 457.155 4.796 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1 ZINC001457350902 1066814710 /nfs/dbraw/zinc/81/47/10/1066814710.db2.gz GGLXNCIXVOICJR-OAQYLSRUSA-N 0 0 454.958 4.927 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4cc(F)cc(F)c4C3)n2CCSCC(C)C)cs1 ZINC001492676975 1066814704 /nfs/dbraw/zinc/81/47/04/1066814704.db2.gz SLLYNGXQDJMELU-UHFFFAOYSA-N 0 0 463.623 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCc2ccc(N(C)C)cc2)cs1 ZINC001492676919 1066814772 /nfs/dbraw/zinc/81/47/72/1066814772.db2.gz RINCQCDEJUISLY-OAQYLSRUSA-N 0 0 452.672 4.815 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC ZINC001457355105 1066815313 /nfs/dbraw/zinc/81/53/13/1066815313.db2.gz BAQMQNDTGXHZCQ-QGZVFWFLSA-N 0 0 452.938 4.709 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001457354618 1066815389 /nfs/dbraw/zinc/81/53/89/1066815389.db2.gz FSLKMGLHBCPCCJ-UHFFFAOYSA-N 0 0 452.917 4.670 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC001457356271 1066815411 /nfs/dbraw/zinc/81/54/11/1066815411.db2.gz WYRMMGSZEOTDJL-PXDATVDWSA-N 0 0 457.574 4.634 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCCc2ccnc(C(C)(C)C)n2)CCO1 ZINC001546089929 1066815423 /nfs/dbraw/zinc/81/54/23/1066815423.db2.gz YXYLCSMFMISFIY-HHHXNRCGSA-N 0 0 478.641 4.679 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc(Oc4ncccc4C)cc3)nc12 ZINC001447490729 1066815503 /nfs/dbraw/zinc/81/55/03/1066815503.db2.gz REJVUKUODSWEPF-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CCN1Cc1ccccc1 ZINC001447499930 1066815890 /nfs/dbraw/zinc/81/58/90/1066815890.db2.gz OXKUHSAGVRKNKT-LJQANCHMSA-N 0 0 458.484 4.712 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)N3CCCC[C@H]3CCN(C)C(=O)OC(C)(C)C)c2)n1 ZINC001457358066 1066815872 /nfs/dbraw/zinc/81/58/72/1066815872.db2.gz DMLRVILQOZHUFM-NRFANRHFSA-N 0 0 453.587 4.780 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001447498681 1066816031 /nfs/dbraw/zinc/81/60/31/1066816031.db2.gz MACCZYOHGMNCJO-YIXXDRMTSA-N 0 0 451.611 4.550 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCc4sccc4C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677473 1066816759 /nfs/dbraw/zinc/81/67/59/1066816759.db2.gz HMFLXQAEKQDDFX-UHFFFAOYSA-N 0 0 488.683 4.515 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCCC2=CCCCCC2)c1 ZINC001447512037 1066817330 /nfs/dbraw/zinc/81/73/30/1066817330.db2.gz XUJUMOYKVUVQNP-UHFFFAOYSA-N 0 0 457.434 4.536 20 0 JJADRN Cc1cccc(C(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1Br ZINC001457364812 1066817810 /nfs/dbraw/zinc/81/78/10/1066817810.db2.gz PEBSAWMLODBEBI-ZHRRBRCNSA-N 0 0 451.405 4.915 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3C[C@H]4CCCC[C@@]4(CNC(=O)OC(C)(C)C)C3)cs2)o1 ZINC001457364850 1066817842 /nfs/dbraw/zinc/81/78/42/1066817842.db2.gz PJBPHRJTQVJUPS-MZNJEOGPSA-N 0 0 459.612 4.798 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545996973 1066817957 /nfs/dbraw/zinc/81/79/57/1066817957.db2.gz HREXLJRQENXGNE-CJFMBICVSA-N 0 0 492.064 4.831 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545996955 1066817983 /nfs/dbraw/zinc/81/79/83/1066817983.db2.gz HLCCKGSZWHLEQB-JOCHJYFZSA-N 0 0 485.673 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2Cc2c(F)cccc2OC(F)F)cs1 ZINC001492678288 1066818302 /nfs/dbraw/zinc/81/83/02/1066818302.db2.gz WDJIIDSINSFHGX-UHFFFAOYSA-N 0 0 451.518 4.801 20 0 JJADRN CN(CCCCC(=O)N1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001457370376 1066818377 /nfs/dbraw/zinc/81/83/77/1066818377.db2.gz FGFFOSHBXIRNHV-LJQANCHMSA-N 0 0 455.640 4.662 20 0 JJADRN Cc1cc(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc(Cl)c1Br ZINC001457368634 1066818392 /nfs/dbraw/zinc/81/83/92/1066818392.db2.gz RGPKQVWMCOIOOE-UHFFFAOYSA-N 0 0 457.796 4.977 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2ccccc2Cl)cs1 ZINC001492678395 1066818349 /nfs/dbraw/zinc/81/83/49/1066818349.db2.gz JCKZDSLWGLXQHY-KRWDZBQOSA-N 0 0 485.963 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678437 1066818373 /nfs/dbraw/zinc/81/83/73/1066818373.db2.gz XNKNZWYXXPISRD-KRWDZBQOSA-N 0 0 462.664 4.517 20 0 JJADRN COc1cc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc(Cl)c1OC ZINC001457376802 1066818852 /nfs/dbraw/zinc/81/88/52/1066818852.db2.gz PGUBGHNGBWQVSJ-UHFFFAOYSA-N 0 0 451.910 4.514 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001492678544 1066818767 /nfs/dbraw/zinc/81/87/67/1066818767.db2.gz JXRKCFCYDCQWEP-DYESRHJHSA-N 0 0 498.672 4.708 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2C[C@](C)(O)c2ccccc2Cl)cs1 ZINC001492678449 1066818777 /nfs/dbraw/zinc/81/87/77/1066818777.db2.gz XUOZOLKPANFEIS-HJPURHCSSA-N 0 0 460.047 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001492678547 1066818857 /nfs/dbraw/zinc/81/88/57/1066818857.db2.gz JXRKCFCYDCQWEP-UWJYYQICSA-N 0 0 498.672 4.708 20 0 JJADRN CCCNc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC001447528779 1066819018 /nfs/dbraw/zinc/81/90/18/1066819018.db2.gz ATMNTKGVZFFCRV-UHFFFAOYSA-N 0 0 455.605 4.569 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCc1nnc(-c2ccccc2)n1C ZINC001447529796 1066819125 /nfs/dbraw/zinc/81/91/25/1066819125.db2.gz XIWPDZNMXQHUTD-UHFFFAOYSA-N 0 0 456.333 4.725 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)CCOC ZINC001447531942 1066819142 /nfs/dbraw/zinc/81/91/42/1066819142.db2.gz LYAUWUBUPGBDQH-UUOWRZLLSA-N 0 0 452.595 4.871 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c(Cl)c1 ZINC001457382578 1066819394 /nfs/dbraw/zinc/81/93/94/1066819394.db2.gz HSRGIKKDUOTYOR-INIZCTEOSA-N 0 0 455.942 4.665 20 0 JJADRN C[C@@]1(c2ccc(C(=O)Nc3cc(Cl)ccc3NCC3CCCCC3)cc2)NC(=O)NC1=O ZINC001447534367 1066819722 /nfs/dbraw/zinc/81/97/22/1066819722.db2.gz RPUCLPYIXHNLMM-DEOSSOPVSA-N 0 0 454.958 4.639 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1nc(Br)sc1Cl ZINC001447535658 1066819744 /nfs/dbraw/zinc/81/97/44/1066819744.db2.gz SVHXCFPWFSKOIG-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492678870 1066819923 /nfs/dbraw/zinc/81/99/23/1066819923.db2.gz PTKUFZKXYQDVGP-BBTUJRGHSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)cs1 ZINC001492678969 1066819979 /nfs/dbraw/zinc/81/99/79/1066819979.db2.gz RBUYQEOFXUTFJC-UOMAQRANSA-N 0 0 494.665 4.841 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC1CCCC1)NC(=O)OC(C)(C)C ZINC001545997191 1066820041 /nfs/dbraw/zinc/82/00/41/1066820041.db2.gz KYMJSDRCXVSANE-NRFANRHFSA-N 0 0 459.610 4.938 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)Oc1ccccc1F ZINC001457389233 1066820800 /nfs/dbraw/zinc/82/08/00/1066820800.db2.gz YXEXTFZNNMSXTN-YPAWHYETSA-N 0 0 470.585 4.825 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(Br)c(F)c2)ccn1 ZINC001457389552 1066820858 /nfs/dbraw/zinc/82/08/58/1066820858.db2.gz UCRFUGTXJCHART-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN COC(=O)CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(F)c1 ZINC001457395628 1066821211 /nfs/dbraw/zinc/82/12/11/1066821211.db2.gz LCYVBZAIDFGABO-UHFFFAOYSA-N 0 0 452.429 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)CCC[C@@H]12 ZINC001457392606 1066821342 /nfs/dbraw/zinc/82/13/42/1066821342.db2.gz BNPUMWRCHZYOJW-QRWLVFNGSA-N 0 0 476.927 4.604 20 0 JJADRN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC001447557329 1066821449 /nfs/dbraw/zinc/82/14/49/1066821449.db2.gz WTEHESOZTBOGRE-QGZVFWFLSA-N 0 0 456.251 4.691 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](Oc4ncccc4F)C3)n2CCCC(C)C)cs1 ZINC001492679334 1066821925 /nfs/dbraw/zinc/82/19/25/1066821925.db2.gz ZPULIYLMOLTVPB-IBGZPJMESA-N 0 0 458.607 4.652 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4ccccc4F)C[C@@H]3C)n2CCCC(C)C)cs1 ZINC001492680270 1066822376 /nfs/dbraw/zinc/82/23/76/1066822376.db2.gz GSGJSIVRLHGUPP-SFHVURJKSA-N 0 0 456.635 4.924 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545997332 1066822643 /nfs/dbraw/zinc/82/26/43/1066822643.db2.gz MWSSQASWTFOFQL-WMQCIHAUSA-N 0 0 459.610 4.936 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4cc(F)cc(F)c4)CC3)n2CCCC(F)(F)F)cs1 ZINC001492680647 1066822992 /nfs/dbraw/zinc/82/29/92/1066822992.db2.gz VBFDKXMEIONEMP-UHFFFAOYSA-N 0 0 486.514 4.581 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)Oc1ccccc1Cl ZINC001457401500 1066823005 /nfs/dbraw/zinc/82/30/05/1066823005.db2.gz SENNUNUWSPZKIS-FCEWJHQRSA-N 0 0 453.764 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCC(C)(C)C)cs1 ZINC001492680930 1066823082 /nfs/dbraw/zinc/82/30/82/1066823082.db2.gz FNRQHZUBJRIVEA-HNNXBMFYSA-N 0 0 458.598 4.533 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(Cc4csc(C(C)(C)C)n4)CC3)n2CCC(C)C)cs1 ZINC001492680926 1066823112 /nfs/dbraw/zinc/82/31/12/1066823112.db2.gz FGXQTYUGELLJHO-UHFFFAOYSA-N 0 0 487.743 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2cccc(OCc3ccccc3)c2)[C@H](F)C1 ZINC001457403260 1066823149 /nfs/dbraw/zinc/82/31/49/1066823149.db2.gz UMZRDXDSCOGGGR-DHIUTWEWSA-N 0 0 456.558 4.662 20 0 JJADRN COCc1nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cs1 ZINC001447569005 1066823279 /nfs/dbraw/zinc/82/32/79/1066823279.db2.gz APLNOAZASLEMKH-LJQANCHMSA-N 0 0 450.482 4.684 20 0 JJADRN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1C(=O)N(C)C ZINC001457401635 1066823235 /nfs/dbraw/zinc/82/32/35/1066823235.db2.gz XZYMTXOMEDWUBC-UHFFFAOYSA-N 0 0 456.340 4.686 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)cc2c1 ZINC001447569036 1066823329 /nfs/dbraw/zinc/82/33/29/1066823329.db2.gz AUCOLJSUMUTRAZ-KRWDZBQOSA-N 0 0 455.511 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001457403270 1066823620 /nfs/dbraw/zinc/82/36/20/1066823620.db2.gz AABMGJVRWWWJHJ-FBBABVLZSA-N 0 0 477.026 4.517 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@H](C)Oc2ccccc2Br)n1 ZINC001457409511 1066824154 /nfs/dbraw/zinc/82/41/54/1066824154.db2.gz QRQWHCTWGOXADQ-SFHVURJKSA-N 0 0 454.368 4.852 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001447575288 1066824161 /nfs/dbraw/zinc/82/41/61/1066824161.db2.gz QNPGLYGZNDZQSF-GBESFXJTSA-N 0 0 451.405 4.801 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001457408818 1066824205 /nfs/dbraw/zinc/82/42/05/1066824205.db2.gz FNVPCYJJVKGAPD-LJQANCHMSA-N 0 0 455.555 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCOc2ccccc2)cs1 ZINC001492681748 1066824138 /nfs/dbraw/zinc/82/41/38/1066824138.db2.gz FVRIHSLNXBCUIH-VWLOTQADSA-N 0 0 469.655 4.744 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC001447575420 1066824322 /nfs/dbraw/zinc/82/43/22/1066824322.db2.gz RBQMOVRVWWOEIH-CQSZACIVSA-N 0 0 451.926 4.996 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457410162 1066824793 /nfs/dbraw/zinc/82/47/93/1066824793.db2.gz DTPYOPAUPSSWEJ-QFIPXVFZSA-N 0 0 453.888 4.748 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Oc2ccccc2F)nc1 ZINC001457411226 1066824843 /nfs/dbraw/zinc/82/48/43/1066824843.db2.gz DADRFCZEYGCALI-FQEVSTJZSA-N 0 0 454.807 4.846 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545997917 1066824841 /nfs/dbraw/zinc/82/48/41/1066824841.db2.gz YQQFOGJWLNRWLD-BJKOFHAPSA-N 0 0 497.684 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492682706 1066825325 /nfs/dbraw/zinc/82/53/25/1066825325.db2.gz DUFZDWJLJZZSTP-HNNXBMFYSA-N 0 0 495.571 4.627 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457413444 1066825335 /nfs/dbraw/zinc/82/53/35/1066825335.db2.gz JZRRFMHHECSTPP-QGHHPUGFSA-N 0 0 456.675 4.980 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1c2c(sc1-n1cccc1)CCC2 ZINC001457413385 1066825437 /nfs/dbraw/zinc/82/54/37/1066825437.db2.gz JVBPNZFPIUYSKR-FQEVSTJZSA-N 0 0 454.901 4.861 20 0 JJADRN Cc1cc(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)ccc1NC(=O)CC(C)C ZINC001457414266 1066825444 /nfs/dbraw/zinc/82/54/44/1066825444.db2.gz KGUUNXDVIFQUCW-NRFANRHFSA-N 0 0 456.892 4.813 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCO[C@@H](C)c2ccccc2)cs1 ZINC001492682881 1066825389 /nfs/dbraw/zinc/82/53/89/1066825389.db2.gz JPPVBVNQMVCFES-OALUTQOASA-N 0 0 469.655 4.805 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001447583726 1066825460 /nfs/dbraw/zinc/82/54/60/1066825460.db2.gz AYFAOHTUNIMVNN-MRXNPFEDSA-N 0 0 452.477 4.655 20 0 JJADRN O=C(N[C@@H](CCO)c1ccccc1Br)c1cccc2[nH]c(-c3cccs3)nc21 ZINC001447580998 1066825589 /nfs/dbraw/zinc/82/55/89/1066825589.db2.gz FLSUPBNWGJQIPX-INIZCTEOSA-N 0 0 456.365 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC4(CCCCC4)C3)n2CCCOCC(C)C)cs1 ZINC001492683563 1066825903 /nfs/dbraw/zinc/82/59/03/1066825903.db2.gz BPJHNMWNMYYFLA-UHFFFAOYSA-N 0 0 463.717 4.953 20 0 JJADRN CCN(C(=O)c1ccc(Br)cc1Br)[C@H](COC)Cc1ccccc1 ZINC001457415684 1066826147 /nfs/dbraw/zinc/82/61/47/1066826147.db2.gz OQGVSQWICQVNFQ-INIZCTEOSA-N 0 0 455.190 4.931 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC001492683398 1066826516 /nfs/dbraw/zinc/82/65/16/1066826516.db2.gz XDKGKVMEDUTERP-GOSISDBHSA-N 0 0 496.681 4.670 20 0 JJADRN CCN(C(=O)c1cc(Br)cc(Br)c1)[C@@H](COC)Cc1ccccc1 ZINC001457418287 1066826659 /nfs/dbraw/zinc/82/66/59/1066826659.db2.gz WIBAMUHIJFWBEM-GOSISDBHSA-N 0 0 455.190 4.931 20 0 JJADRN O=C(N[C@H](CCO)c1ccccc1Br)c1cc2c(cccc2Br)[nH]1 ZINC001447590974 1066826818 /nfs/dbraw/zinc/82/68/18/1066826818.db2.gz ZAWMFKKTOZAFMU-MRXNPFEDSA-N 0 0 452.146 4.546 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC001492683399 1066826743 /nfs/dbraw/zinc/82/67/43/1066826743.db2.gz XDKGKVMEDUTERP-SFHVURJKSA-N 0 0 496.681 4.670 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1cc(F)cc(Br)c1F ZINC001457419469 1066827211 /nfs/dbraw/zinc/82/72/11/1066827211.db2.gz UOEGVTMKIRPZQC-HNNXBMFYSA-N 0 0 458.608 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2cccc(C(C)(C)O)c2)cs1 ZINC001492683775 1066827348 /nfs/dbraw/zinc/82/73/48/1066827348.db2.gz IDSWJYSRDNGCQF-AUUYWEPGSA-N 0 0 479.572 4.544 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457419741 1066827482 /nfs/dbraw/zinc/82/74/82/1066827482.db2.gz YCFMAQOTSXBFEA-FQEVSTJZSA-N 0 0 456.823 4.633 20 0 JJADRN C[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)n1cc(Br)cn1 ZINC001447608719 1066828025 /nfs/dbraw/zinc/82/80/25/1066828025.db2.gz NZCIXZRBPXHUEI-CRAIPNDOSA-N 0 0 458.360 4.791 20 0 JJADRN O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccsc2Br)C1)c1ccccc1 ZINC001447610911 1066828585 /nfs/dbraw/zinc/82/85/85/1066828585.db2.gz RPHGSGVJLYSMFY-AWEZNQCLSA-N 0 0 459.369 4.506 20 0 JJADRN Nc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC001447616119 1066828602 /nfs/dbraw/zinc/82/86/02/1066828602.db2.gz YYBCEKLTKTWJKH-CQSZACIVSA-N 0 0 458.349 4.571 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@](C)(O)c2ccccc2Cl)cs1 ZINC001492684239 1066828588 /nfs/dbraw/zinc/82/85/88/1066828588.db2.gz UTGIYYLKCVKQIV-JOCHJYFZSA-N 0 0 478.087 4.527 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C)C3)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492684400 1066828597 /nfs/dbraw/zinc/82/85/97/1066828597.db2.gz YNWPLOGZJMCWQS-AWEZNQCLSA-N 0 0 467.586 4.837 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@](C)(O)c2ccccc2Cl)cs1 ZINC001492684240 1066828718 /nfs/dbraw/zinc/82/87/18/1066828718.db2.gz UTGIYYLKCVKQIV-QFIPXVFZSA-N 0 0 478.087 4.527 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cc1nc(C(C)C)c(C)s1 ZINC001447612414 1066828727 /nfs/dbraw/zinc/82/87/27/1066828727.db2.gz USECFETUZSRLOS-OAQYLSRUSA-N 0 0 452.624 4.579 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC[C@@](C)(O)c2ccccc2)cs1 ZINC001492684964 1066829134 /nfs/dbraw/zinc/82/91/34/1066829134.db2.gz ACYIXJXLMHIGEH-SAHWJRBASA-N 0 0 475.609 4.659 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCCC(C)(C)C)C2)no1 ZINC001492685104 1066829156 /nfs/dbraw/zinc/82/91/56/1066829156.db2.gz CDQBTZHBKCSKJZ-QGZVFWFLSA-N 0 0 458.010 4.970 20 0 JJADRN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997444 1066829240 /nfs/dbraw/zinc/82/92/40/1066829240.db2.gz OSQJFNFXADEPKO-IAGOWNOFSA-N 0 0 463.573 4.687 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2COc2cccc(C=O)c2)ccc1-n1nnnc1C(C)C ZINC001447618495 1066829584 /nfs/dbraw/zinc/82/95/84/1066829584.db2.gz MGERWAPUNGTMOA-UHFFFAOYSA-N 0 0 455.518 4.738 20 0 JJADRN CCn1c(SCC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)nnc1-c1ccco1 ZINC001457425752 1066829589 /nfs/dbraw/zinc/82/95/89/1066829589.db2.gz MBEJWNRNXXZFAM-UHFFFAOYSA-N 0 0 454.577 4.704 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(C)(C)C ZINC001457425729 1066829734 /nfs/dbraw/zinc/82/97/34/1066829734.db2.gz LXUYVWJRRZKDAW-NRFANRHFSA-N 0 0 455.603 4.676 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001545997507 1066829772 /nfs/dbraw/zinc/82/97/72/1066829772.db2.gz QASFZNLTELOJIE-HKUYNNGSSA-N 0 0 471.543 4.546 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Oc1cccc(F)c1 ZINC001545997509 1066829841 /nfs/dbraw/zinc/82/98/41/1066829841.db2.gz QASFZNLTELOJIE-MJGOQNOKSA-N 0 0 471.543 4.546 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC001457425967 1066829829 /nfs/dbraw/zinc/82/98/29/1066829829.db2.gz SWKGRBBGDWTTEC-UHFFFAOYSA-N 0 0 456.886 4.630 20 0 JJADRN CCCc1cc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)no1 ZINC001457428618 1066830210 /nfs/dbraw/zinc/83/02/10/1066830210.db2.gz NNAJAMOBCGBBQM-HXUWFJFHSA-N 0 0 455.555 4.650 20 0 JJADRN CC(C)CNC(=O)C1(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCCC1 ZINC001457428553 1066830226 /nfs/dbraw/zinc/83/02/26/1066830226.db2.gz IYRZVBABGWAICI-UHFFFAOYSA-N 0 0 454.958 4.601 20 0 JJADRN CCC(=O)c1cc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)ccc1F ZINC001457428997 1066830384 /nfs/dbraw/zinc/83/03/84/1066830384.db2.gz QGZBJJOMPAREBX-UHFFFAOYSA-N 0 0 454.479 4.756 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C ZINC001447623582 1066830374 /nfs/dbraw/zinc/83/03/74/1066830374.db2.gz UYRHKDCHDOVEGH-NRFANRHFSA-N 0 0 450.583 4.524 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCOc3ccc(F)cc3)C2)no1 ZINC001492686062 1066830838 /nfs/dbraw/zinc/83/08/38/1066830838.db2.gz RYLJCXDILSYSNP-LJQANCHMSA-N 0 0 470.593 4.724 20 0 JJADRN Cc1cccc(OCCC(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1C ZINC001457430659 1066830800 /nfs/dbraw/zinc/83/08/00/1066830800.db2.gz YKBKDVGFXPCAEY-UHFFFAOYSA-N 0 0 452.532 4.796 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1ccc(COc2ccc(F)cc2)o1 ZINC001457430912 1066830853 /nfs/dbraw/zinc/83/08/53/1066830853.db2.gz IVYCBPJJVWNJJG-UHFFFAOYSA-N 0 0 450.344 4.600 20 0 JJADRN Cc1cccc([C@H]2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)C2)c1 ZINC001447626480 1066830905 /nfs/dbraw/zinc/83/09/05/1066830905.db2.gz BPWIHPAFXPXELK-IBGZPJMESA-N 0 0 456.514 4.704 20 0 JJADRN O=C(Nc1cccc2c1CCCN2C(=O)c1cccc(Br)n1)c1ccc(F)cc1 ZINC001457433348 1066831459 /nfs/dbraw/zinc/83/14/59/1066831459.db2.gz WYVZCLLGPSMLAN-UHFFFAOYSA-N 0 0 454.299 4.829 20 0 JJADRN CO[C@@H](C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1Br ZINC001447627469 1066831422 /nfs/dbraw/zinc/83/14/22/1066831422.db2.gz BEEPGGHPZASGQP-ZWKOTPCHSA-N 0 0 458.274 4.756 20 0 JJADRN CO[C@H](C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1Br ZINC001447627466 1066831513 /nfs/dbraw/zinc/83/15/13/1066831513.db2.gz BEEPGGHPZASGQP-ROUUACIJSA-N 0 0 458.274 4.756 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Oc3cc(C)ccc3I)cc2F)n1 ZINC001457438841 1066831912 /nfs/dbraw/zinc/83/19/12/1066831912.db2.gz CTZIGEWUQHCQNG-UHFFFAOYSA-N 0 0 450.251 4.760 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCOC2)cs1 ZINC001492687115 1066831876 /nfs/dbraw/zinc/83/18/76/1066831876.db2.gz BAXGFCJNWIEJLY-MRXNPFEDSA-N 0 0 476.444 4.578 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)cs1 ZINC001492687074 1066831894 /nfs/dbraw/zinc/83/18/94/1066831894.db2.gz ACDRDKNHZPGHNN-HXUWFJFHSA-N 0 0 490.471 4.967 20 0 JJADRN O=C(NCc1nc(CNC(=O)c2cccc(SC(F)(F)F)c2)cs1)c1ccccc1 ZINC001457440041 1066832555 /nfs/dbraw/zinc/83/25/55/1066832555.db2.gz XJHSVFMQLDKOTO-UHFFFAOYSA-N 0 0 451.495 4.615 20 0 JJADRN Cc1nn(C)cc1CNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001447631544 1066832655 /nfs/dbraw/zinc/83/26/55/1066832655.db2.gz ULGDCULHCRFUPJ-RBDMOPTHSA-N 0 0 457.640 4.755 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H]2C(C)C)cs1 ZINC001492687220 1066832669 /nfs/dbraw/zinc/83/26/69/1066832669.db2.gz DAFYGXSTLKUWGA-KRWDZBQOSA-N 0 0 463.449 4.679 20 0 JJADRN COc1cccc(OC)c1CC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC001457440589 1066832635 /nfs/dbraw/zinc/83/26/35/1066832635.db2.gz HCDZIDVKOAZBNE-UHFFFAOYSA-N 0 0 458.312 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1sc3cc(F)ccc3c1Cl)CCO2 ZINC001457449991 1066832912 /nfs/dbraw/zinc/83/29/12/1066832912.db2.gz OBMYMIHUHOWGHI-OAQYLSRUSA-N 0 0 454.951 4.546 20 0 JJADRN O=C(Nc1ccc(C(=O)N2NC(=O)C[C@H]2c2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001457447929 1066832934 /nfs/dbraw/zinc/83/29/34/1066832934.db2.gz GJPXQYZBKDBJTG-FQEVSTJZSA-N 0 0 454.313 4.864 20 0 JJADRN CCCc1c(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC001447633535 1066832909 /nfs/dbraw/zinc/83/29/09/1066832909.db2.gz ZQQPCVGPPXUYKT-UHFFFAOYSA-N 0 0 452.971 4.664 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(F)F)C2)n[nH]1 ZINC001492687523 1066833025 /nfs/dbraw/zinc/83/30/25/1066833025.db2.gz ZKYCDIOSIVCSEU-DOTOQJQBSA-N 0 0 493.990 4.839 20 0 JJADRN Cc1ccc(I)c(OC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001457445596 1066833037 /nfs/dbraw/zinc/83/30/37/1066833037.db2.gz PLODZEOXFDGHLR-YFHOEESVSA-N 0 0 454.260 4.767 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001457452693 1066833631 /nfs/dbraw/zinc/83/36/31/1066833631.db2.gz QOMXBNBDVTUZOS-RCLSDMTESA-N 0 0 454.533 4.715 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)N1CCO[C@H](c2ncon2)C1 ZINC001447636239 1066833756 /nfs/dbraw/zinc/83/37/56/1066833756.db2.gz UPWVLWHRBRDPSW-INIZCTEOSA-N 0 0 453.417 4.592 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001492687760 1066833761 /nfs/dbraw/zinc/83/37/61/1066833761.db2.gz PSELPCXTEDAZHE-KBPBESRZSA-N 0 0 463.449 4.536 20 0 JJADRN CN(C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457456520 1066834149 /nfs/dbraw/zinc/83/41/49/1066834149.db2.gz IBGZWVRXTBDYDB-QFIPXVFZSA-N 0 0 450.970 4.654 20 0 JJADRN O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001447637535 1066834255 /nfs/dbraw/zinc/83/42/55/1066834255.db2.gz ZYJAIHOIWAQNRQ-SJLPKXTDSA-N 0 0 459.390 4.582 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001457458761 1066834755 /nfs/dbraw/zinc/83/47/55/1066834755.db2.gz UEBWDVUUPZQGIX-IBGZPJMESA-N 0 0 455.986 4.830 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545999107 1066834941 /nfs/dbraw/zinc/83/49/41/1066834941.db2.gz ICYPHZPICHZDCS-FPOVZHCZSA-N 0 0 480.613 4.810 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCc4cc(Br)ccc4C3)[nH]n2)c1C ZINC001447648429 1066835501 /nfs/dbraw/zinc/83/55/01/1066835501.db2.gz GQBVWKRWKRQMJQ-UHFFFAOYSA-N 0 0 456.388 4.651 20 0 JJADRN Cc1nc(CCn2c(-c3ccccn3)nnc2N(C)CCOc2ccccc2Cl)cs1 ZINC001492689202 1066835566 /nfs/dbraw/zinc/83/55/66/1066835566.db2.gz ZISMQSNXGMWASQ-UHFFFAOYSA-N 0 0 454.987 4.516 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)c2cccc(O)c2)cs1 ZINC001492690342 1066835614 /nfs/dbraw/zinc/83/56/14/1066835614.db2.gz NYKASICUUMJGEY-AWEZNQCLSA-N 0 0 454.625 4.544 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F)Oc1cccc(C(F)(F)F)c1 ZINC001457462988 1066835877 /nfs/dbraw/zinc/83/58/77/1066835877.db2.gz IHPHPRIMEPHCHD-OXJNMPFZSA-N 0 0 458.427 4.525 20 0 JJADRN O=C(C/C=C/c1ccc(Br)cc1)N(CCO)Cc1cc(Br)cs1 ZINC001447652745 1066836184 /nfs/dbraw/zinc/83/61/84/1066836184.db2.gz QTYJLLZLEBHWJV-OWOJBTEDSA-N 0 0 459.203 4.698 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001492690495 1066836225 /nfs/dbraw/zinc/83/62/25/1066836225.db2.gz MSZYBQATPUQVNE-SFHVURJKSA-N 0 0 476.691 4.568 20 0 JJADRN Cc1nc(CCn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC001492690565 1066836304 /nfs/dbraw/zinc/83/63/04/1066836304.db2.gz RXLYTYNMEGZMIZ-HNNXBMFYSA-N 0 0 454.550 4.747 20 0 JJADRN COC(=O)[C@H](C)[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC001457464671 1066836343 /nfs/dbraw/zinc/83/63/43/1066836343.db2.gz FUUYWFHCVFFGJA-IVZQSRNASA-N 0 0 456.336 4.648 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)s1 ZINC001457463451 1066836373 /nfs/dbraw/zinc/83/63/73/1066836373.db2.gz QXBRKRADKQBPJH-IUODEOHRSA-N 0 0 454.390 4.657 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)c1ccc(F)cc1Br)OCO2 ZINC001457463377 1066836384 /nfs/dbraw/zinc/83/63/84/1066836384.db2.gz PZBVBLVNAUMGBA-UHFFFAOYSA-N 0 0 453.264 4.916 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](CC(C)C)C2)cs1 ZINC001492691430 1066836735 /nfs/dbraw/zinc/83/67/35/1066836735.db2.gz BNZSPYUZUMWIBU-IRFCIJBXSA-N 0 0 488.702 4.929 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](CC(C)C)C2)n[nH]1 ZINC001492691710 1066836762 /nfs/dbraw/zinc/83/67/62/1066836762.db2.gz LQKHSZSGQIARFP-KRWDZBQOSA-N 0 0 460.051 4.765 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C)CC2)cs1 ZINC001492691481 1066836791 /nfs/dbraw/zinc/83/67/91/1066836791.db2.gz CSMXDEURZREZJR-XKGZKEIXSA-N 0 0 474.675 4.683 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Br)ccc2C1 ZINC001447652916 1066836823 /nfs/dbraw/zinc/83/68/23/1066836823.db2.gz TUWZPMCKSYAJBO-JOCHJYFZSA-N 0 0 453.421 4.911 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545999241 1066837388 /nfs/dbraw/zinc/83/73/88/1066837388.db2.gz KBFJQZPDCFMDGL-ICSRJNTNSA-N 0 0 466.586 4.502 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC001447655573 1066837456 /nfs/dbraw/zinc/83/74/56/1066837456.db2.gz VFBOMSARNDZAIV-HSZRJFAPSA-N 0 0 455.352 4.711 20 0 JJADRN CC[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)Oc1cccc(C(F)(F)F)c1 ZINC001457469618 1066837445 /nfs/dbraw/zinc/83/74/45/1066837445.db2.gz TVBFWDZZTKDJBQ-IBGZPJMESA-N 0 0 459.468 4.664 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(Br)s2)CCO1 ZINC001546091397 1066837455 /nfs/dbraw/zinc/83/74/55/1066837455.db2.gz OSNGNCSBEFPGNG-OAQYLSRUSA-N 0 0 476.444 4.721 20 0 JJADRN COc1cccc([C@H](NC(=O)c2ccc(O[C@H]3CCOC3)cc2)c2cc(F)ccc2OC)c1 ZINC001457469343 1066837464 /nfs/dbraw/zinc/83/74/64/1066837464.db2.gz AMLCTZUUMLJIOC-DHLKQENFSA-N 0 0 451.494 4.530 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@H](C)c3ccc(F)cc3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001492691920 1066837650 /nfs/dbraw/zinc/83/76/50/1066837650.db2.gz PEEFYYIWVDTOCY-OSPHWJPCSA-N 0 0 473.618 4.663 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@@H](C)c3ccc(F)cc3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001492691921 1066837656 /nfs/dbraw/zinc/83/76/56/1066837656.db2.gz PEEFYYIWVDTOCY-XDHUDOTRSA-N 0 0 473.618 4.663 20 0 JJADRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001457469673 1066837903 /nfs/dbraw/zinc/83/79/03/1066837903.db2.gz KMAQIXLQMXDBSS-HTAPYJJXSA-N 0 0 452.551 4.655 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001457470402 1066837939 /nfs/dbraw/zinc/83/79/39/1066837939.db2.gz CYRKOIYGBOZFLM-QTYPKTMWSA-N 0 0 451.636 4.746 20 0 JJADRN O=C(NCCCCOc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457470239 1066837974 /nfs/dbraw/zinc/83/79/74/1066837974.db2.gz JRLPCGOEFPJFJG-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN Cc1nc(CN2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CC(C)(C)C(C)C)CC2)no1 ZINC001492692797 1066838124 /nfs/dbraw/zinc/83/81/24/1066838124.db2.gz GFTRMAPVIXPTEC-UHFFFAOYSA-N 0 0 495.672 4.560 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC[S@]1=O ZINC001447662810 1066838462 /nfs/dbraw/zinc/83/84/62/1066838462.db2.gz JNNOIGOMHCTGKT-JYCIKRDWSA-N 0 0 454.379 4.621 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccn1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447661309 1066838474 /nfs/dbraw/zinc/83/84/74/1066838474.db2.gz NECQOSZDEMBQDW-UHFFFAOYSA-N 0 0 458.436 4.896 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CSCc1ccc(Br)cc1 ZINC001457471389 1066838466 /nfs/dbraw/zinc/83/84/66/1066838466.db2.gz YYJBWBZQXUMWIG-UHFFFAOYSA-N 0 0 459.450 4.692 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CC2)cs1 ZINC001492693186 1066838599 /nfs/dbraw/zinc/83/85/99/1066838599.db2.gz ANGPNSCLDCIAAV-GOSISDBHSA-N 0 0 486.661 4.560 20 0 JJADRN Cc1cccc(OCCCCC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC001447661183 1066838638 /nfs/dbraw/zinc/83/86/38/1066838638.db2.gz MPFIEVAWMVXKSP-UHFFFAOYSA-N 0 0 451.485 4.953 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545998788 1066839100 /nfs/dbraw/zinc/83/91/00/1066839100.db2.gz BDWNRPQSFPAZMI-HMXCVIKNSA-N 0 0 489.636 4.563 20 0 JJADRN CCn1cc(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(-c2ccccc2)n1 ZINC001447664004 1066839281 /nfs/dbraw/zinc/83/92/81/1066839281.db2.gz WGCGUXJNRKVIDD-UHFFFAOYSA-N 0 0 459.468 4.592 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(c2nnc(CC(C)(C)C)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001492694064 1066839242 /nfs/dbraw/zinc/83/92/42/1066839242.db2.gz CLAXMYCCIMXWRU-UUWRZZSWSA-N 0 0 484.714 4.914 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(Cc4ccccc4C)n3CC(C)(C)C(F)(F)F)CC2)cs1 ZINC001492693761 1066839363 /nfs/dbraw/zinc/83/93/63/1066839363.db2.gz QIKFDUIMGBAHPV-UHFFFAOYSA-N 0 0 492.615 4.853 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001447667661 1066839882 /nfs/dbraw/zinc/83/98/82/1066839882.db2.gz QRISWCJYIZHHBJ-KRWDZBQOSA-N 0 0 458.327 4.962 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccc([S@](C)=O)cc3)s2)cc1 ZINC001457477210 1066840046 /nfs/dbraw/zinc/84/00/46/1066840046.db2.gz QITNNSOOJSJPKJ-QLCIJSRNSA-N 0 0 456.589 4.580 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2cscc2C)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001457478152 1066840172 /nfs/dbraw/zinc/84/01/72/1066840172.db2.gz LWOFBVVIWQWOTG-UHFFFAOYSA-N 0 0 450.582 4.840 20 0 JJADRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457483538 1066840655 /nfs/dbraw/zinc/84/06/55/1066840655.db2.gz MQBDIVOYOGDCRD-WBVHZDCISA-N 0 0 456.892 4.679 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492695101 1066840902 /nfs/dbraw/zinc/84/09/02/1066840902.db2.gz ZQKDXEOAAMVTMK-TZIWHRDSSA-N 0 0 495.672 4.574 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492694997 1066840939 /nfs/dbraw/zinc/84/09/39/1066840939.db2.gz XCSXULDTXFQDED-SFHVURJKSA-N 0 0 478.563 4.773 20 0 JJADRN CCO[C@H](CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CCCC1 ZINC001457485357 1066841094 /nfs/dbraw/zinc/84/10/94/1066841094.db2.gz BCPPNIVEFFIFCD-GHTZIAJQSA-N 0 0 455.426 4.947 20 0 JJADRN CCO[C@@H](CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CCCC1 ZINC001457485361 1066841160 /nfs/dbraw/zinc/84/11/60/1066841160.db2.gz BCPPNIVEFFIFCD-RXVVDRJESA-N 0 0 455.426 4.947 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc(Cl)cc1 ZINC001457487597 1066841208 /nfs/dbraw/zinc/84/12/08/1066841208.db2.gz FQXNWVRDZGDBSX-IBGZPJMESA-N 0 0 457.785 4.987 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)no1 ZINC001447688545 1066841687 /nfs/dbraw/zinc/84/16/87/1066841687.db2.gz AZXIOBZVANYDAK-SFHVURJKSA-N 0 0 452.363 4.831 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3cc(Br)ccc3Br)CCO2)cc1 ZINC001447687212 1066841704 /nfs/dbraw/zinc/84/17/04/1066841704.db2.gz LDWBJGIEKUTSAT-GOSISDBHSA-N 0 0 453.174 4.988 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492695287 1066841673 /nfs/dbraw/zinc/84/16/73/1066841673.db2.gz VZAHDUSWCDCGKG-VQIMIIECSA-N 0 0 485.658 4.551 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1 ZINC001457490811 1066841856 /nfs/dbraw/zinc/84/18/56/1066841856.db2.gz KDFIYGHFQOICRH-AWEZNQCLSA-N 0 0 454.527 4.760 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)CCO2)cc1 ZINC001447690268 1066842080 /nfs/dbraw/zinc/84/20/80/1066842080.db2.gz SAZYNQLTGOMKKQ-HXUWFJFHSA-N 0 0 458.331 4.550 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(N(C)C)nc2)s1 ZINC001492695549 1066842898 /nfs/dbraw/zinc/84/28/98/1066842898.db2.gz FREVBMVLXOVJJZ-UHFFFAOYSA-N 0 0 471.993 4.648 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4C)cc3)CC2)s1 ZINC001447694012 1066843296 /nfs/dbraw/zinc/84/32/96/1066843296.db2.gz RFTQDHILNGARCU-UHFFFAOYSA-N 0 0 455.605 4.581 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1)c1ccc(Br)o1 ZINC001447692171 1066843402 /nfs/dbraw/zinc/84/34/02/1066843402.db2.gz KODBXWKQCVURLL-UHFFFAOYSA-N 0 0 454.324 4.709 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001457498334 1066843598 /nfs/dbraw/zinc/84/35/98/1066843598.db2.gz XZXYHUQKOHQQLS-RMJJICAUSA-N 0 0 454.533 4.953 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC001447695566 1066844111 /nfs/dbraw/zinc/84/41/11/1066844111.db2.gz VSBBURKMVIWGKE-HSZRJFAPSA-N 0 0 451.592 4.537 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC001447703984 1066844558 /nfs/dbraw/zinc/84/45/58/1066844558.db2.gz WAARAHYEBKHQIG-OAQYLSRUSA-N 0 0 459.974 4.537 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCc2nnc(C)s2)s1 ZINC001492695943 1066844598 /nfs/dbraw/zinc/84/45/98/1066844598.db2.gz RBGQQPGKOXPQDZ-UHFFFAOYSA-N 0 0 496.485 4.573 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCO2)s1 ZINC001492696019 1066844758 /nfs/dbraw/zinc/84/47/58/1066844758.db2.gz DPSWNLFBQOQYHR-HNNXBMFYSA-N 0 0 480.407 4.817 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC001447705775 1066845183 /nfs/dbraw/zinc/84/51/83/1066845183.db2.gz FAWPFUKLPLREGF-QFIPXVFZSA-N 0 0 450.583 4.874 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001457505060 1066845198 /nfs/dbraw/zinc/84/51/98/1066845198.db2.gz PJPUFNZPFQTCLA-RDJZCZTQSA-N 0 0 454.368 4.941 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)s1 ZINC001492696137 1066845332 /nfs/dbraw/zinc/84/53/32/1066845332.db2.gz VEYYWMJXFKCBHI-UHFFFAOYSA-N 0 0 473.046 4.648 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447715231 1066845718 /nfs/dbraw/zinc/84/57/18/1066845718.db2.gz DLJLTOLDHBOSMC-UHFFFAOYSA-N 0 0 457.977 4.565 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2CCC(=O)Nc2cccc(Cl)c2C)s1 ZINC001492696223 1066845833 /nfs/dbraw/zinc/84/58/33/1066845833.db2.gz YJURGIZYQNQXMJ-UHFFFAOYSA-N 0 0 482.013 4.732 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccnc2)s1 ZINC001492696284 1066845996 /nfs/dbraw/zinc/84/59/96/1066845996.db2.gz IFJWKBQLAKMILU-INIZCTEOSA-N 0 0 452.559 4.596 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)n2)CC1 ZINC001457506243 1066846005 /nfs/dbraw/zinc/84/60/05/1066846005.db2.gz WWVSBAFETIIJFY-HXUWFJFHSA-N 0 0 458.628 4.655 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2C)s1 ZINC001492696299 1066846509 /nfs/dbraw/zinc/84/65/09/1066846509.db2.gz IZLOCCLNLKUMNV-APWZRJJASA-N 0 0 452.628 4.985 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC2=CCCCC2)s1 ZINC001492696452 1066846525 /nfs/dbraw/zinc/84/65/25/1066846525.db2.gz NELHBWLOZYWHDA-UHFFFAOYSA-N 0 0 461.433 4.948 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccnc2)C(C)C)s1 ZINC001492696525 1066847098 /nfs/dbraw/zinc/84/70/98/1066847098.db2.gz PAZHPPZUCLQRET-RDGATRHJSA-N 0 0 484.670 4.555 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C ZINC001447725378 1066847588 /nfs/dbraw/zinc/84/75/88/1066847588.db2.gz WSWGMCFEEZFSRR-LJQANCHMSA-N 0 0 452.382 4.671 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001447724730 1066847637 /nfs/dbraw/zinc/84/76/37/1066847637.db2.gz MMRMAGSYBBQCQK-OAQYLSRUSA-N 0 0 453.926 4.557 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2[nH]c3ccccc3c2Br)c1 ZINC001447724743 1066847653 /nfs/dbraw/zinc/84/76/53/1066847653.db2.gz YZYUVXBFDSCVCC-UHFFFAOYSA-N 0 0 452.146 4.974 20 0 JJADRN COc1cc(CN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)cc(OC)c1 ZINC001457513947 1066847621 /nfs/dbraw/zinc/84/76/21/1066847621.db2.gz LSDKKFJEEOZVLZ-UHFFFAOYSA-N 0 0 452.501 4.607 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)s1 ZINC001492696650 1066847702 /nfs/dbraw/zinc/84/77/02/1066847702.db2.gz SRKATIZKRZBBPS-UGKGYDQZSA-N 0 0 482.654 4.610 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)s1 ZINC001492696246 1066847837 /nfs/dbraw/zinc/84/78/37/1066847837.db2.gz HHUFKXVENNJKMW-HNAYVOBHSA-N 0 0 460.003 4.818 20 0 JJADRN CC(C)[C@@](C)(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)c1ccc(Br)cc1 ZINC001447728766 1066848237 /nfs/dbraw/zinc/84/82/37/1066848237.db2.gz TUDHHFXVUZUZOC-JXXFODFXSA-N 0 0 475.374 4.843 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC001447729046 1066848293 /nfs/dbraw/zinc/84/82/93/1066848293.db2.gz HGFXWXFNPNRKEO-AOYPEHQESA-N 0 0 452.526 4.513 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)nc1-c1ccccc1 ZINC001457515444 1066848446 /nfs/dbraw/zinc/84/84/46/1066848446.db2.gz AHVBPLDKAYDYBC-UHFFFAOYSA-N 0 0 450.520 4.523 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(-c4ccccc4)on3)n2CC(F)(F)Br)s1 ZINC001492696903 1066848852 /nfs/dbraw/zinc/84/88/52/1066848852.db2.gz AQTOTMDIRKUNMO-UHFFFAOYSA-N 0 0 495.353 4.989 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(Br)c(O)c1 ZINC001447736517 1066849439 /nfs/dbraw/zinc/84/94/39/1066849439.db2.gz SUGPYZIKMSSEQO-UHFFFAOYSA-N 0 0 451.118 4.664 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2CCCCO2)s1 ZINC001492697798 1066849532 /nfs/dbraw/zinc/84/95/32/1066849532.db2.gz DFONSGGLLZVDDL-KRWDZBQOSA-N 0 0 461.582 4.898 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C[C@@H](C)S1=O ZINC001447737019 1066849480 /nfs/dbraw/zinc/84/94/80/1066849480.db2.gz RRISPPFVCCINKL-CHWSQXEVSA-N 0 0 454.379 4.619 20 0 JJADRN CCCc1c(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cnn1-c1ccc(F)cc1 ZINC001447735820 1066849588 /nfs/dbraw/zinc/84/95/88/1066849588.db2.gz QAIOMEPNXBIMOE-AOYPEHQESA-N 0 0 453.533 4.607 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001457517509 1066849717 /nfs/dbraw/zinc/84/97/17/1066849717.db2.gz JVCHKYGOVFLJLN-JOCHJYFZSA-N 0 0 451.567 4.917 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C(C)(C)C)no2)s1 ZINC001492697896 1066849610 /nfs/dbraw/zinc/84/96/10/1066849610.db2.gz HMTMQZPOFCDFOP-UHFFFAOYSA-N 0 0 454.575 4.743 20 0 JJADRN COCCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)CC1 ZINC001457521551 1066850296 /nfs/dbraw/zinc/85/02/96/1066850296.db2.gz QNRAMAPYFVXZSM-UHFFFAOYSA-N 0 0 456.536 4.557 20 0 JJADRN Cc1ccc(-c2nn(C)cc2C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)o1 ZINC001457519631 1066850439 /nfs/dbraw/zinc/85/04/39/1066850439.db2.gz PTJONDCVVUSJBM-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CC(Cl)(Cl)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001457523671 1066851603 /nfs/dbraw/zinc/85/16/03/1066851603.db2.gz ZFXOCBALRPMZDP-UHFFFAOYSA-N 0 0 455.335 4.934 20 0 JJADRN COCCc1ccccc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447746234 1066851575 /nfs/dbraw/zinc/85/15/75/1066851575.db2.gz TYZQDWXOGDDSPK-UHFFFAOYSA-N 0 0 457.621 4.727 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC001457527177 1066852206 /nfs/dbraw/zinc/85/22/06/1066852206.db2.gz TWDVTXJYYQAWRL-HUUCEWRRSA-N 0 0 457.368 4.884 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001447753003 1066853014 /nfs/dbraw/zinc/85/30/14/1066853014.db2.gz KXASWNGRZYIOEP-GFCCVEGCSA-N 0 0 459.295 4.979 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2nccs2)s1 ZINC001492698810 1066853048 /nfs/dbraw/zinc/85/30/48/1066853048.db2.gz MUPQSDOTXXJQIX-BMGDILEWSA-N 0 0 460.673 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCNc1nc2ccccc2s1 ZINC001457529592 1066853044 /nfs/dbraw/zinc/85/30/44/1066853044.db2.gz IVPKBKAUSRWDRW-QRQLOZEOSA-N 0 0 458.628 4.783 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001447753322 1066853777 /nfs/dbraw/zinc/85/37/77/1066853777.db2.gz KCYQDGFGFWRLPQ-UHFFFAOYSA-N 0 0 456.779 4.985 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001492699363 1066855000 /nfs/dbraw/zinc/85/50/00/1066855000.db2.gz GGNIJIRDHXKIPB-WMZOPIPTSA-N 0 0 455.628 4.852 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001447761347 1066854949 /nfs/dbraw/zinc/85/49/49/1066854949.db2.gz IQZAEZWVQGSJAL-DNVCBOLYSA-N 0 0 456.340 4.939 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492699980 1066855511 /nfs/dbraw/zinc/85/55/11/1066855511.db2.gz ZLHXDXCPXXBIPX-DOTOQJQBSA-N 0 0 462.019 4.748 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC001492700074 1066855660 /nfs/dbraw/zinc/85/56/60/1066855660.db2.gz COEKQDCREGNCKX-MRXNPFEDSA-N 0 0 487.073 4.789 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492699983 1066855678 /nfs/dbraw/zinc/85/56/78/1066855678.db2.gz ZLHXDXCPXXBIPX-WBVHZDCISA-N 0 0 462.019 4.748 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC001447765210 1066855643 /nfs/dbraw/zinc/85/56/43/1066855643.db2.gz WCVRHIQIGKZWSN-CQSZACIVSA-N 0 0 457.324 4.818 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC001447762522 1066855666 /nfs/dbraw/zinc/85/56/66/1066855666.db2.gz LHVVZTQKMMRFMV-MLJBMGDYSA-N 0 0 467.404 4.694 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492700115 1066855684 /nfs/dbraw/zinc/85/56/84/1066855684.db2.gz DRWDCARWRXMYNW-DOTOQJQBSA-N 0 0 486.617 4.637 20 0 JJADRN COc1cccc(OC)c1COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001457541144 1066855793 /nfs/dbraw/zinc/85/57/93/1066855793.db2.gz IUMPDEQYBIJQOD-MHECFPHRSA-N 0 0 451.544 4.911 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457540813 1066855799 /nfs/dbraw/zinc/85/57/99/1066855799.db2.gz LKJWSJQZXLFFIX-IZLXSDGUSA-N 0 0 458.602 4.813 20 0 JJADRN CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457540820 1066855852 /nfs/dbraw/zinc/85/58/52/1066855852.db2.gz LKJWSJQZXLFFIX-WUFINQPMSA-N 0 0 458.602 4.813 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492700284 1066856144 /nfs/dbraw/zinc/85/61/44/1066856144.db2.gz KLWFRMDBLAPPLI-UHFFFAOYSA-N 0 0 460.323 4.909 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001492700276 1066856214 /nfs/dbraw/zinc/85/62/14/1066856214.db2.gz KIIKMBKKLJNSBF-ZDUSSCGKSA-N 0 0 462.417 4.525 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1ncc(Cc2ccccc2F)s1)C(F)(F)F ZINC001457540901 1066856523 /nfs/dbraw/zinc/85/65/23/1066856523.db2.gz FZGSNAOGORIBJH-HXUWFJFHSA-N 0 0 453.461 4.627 20 0 JJADRN CCOCCC1(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCC1 ZINC001457541896 1066856573 /nfs/dbraw/zinc/85/65/73/1066856573.db2.gz XZJPKHHLEPZRDQ-UHFFFAOYSA-N 0 0 454.533 4.661 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCCc2ccccn2)s1 ZINC001492700505 1066856671 /nfs/dbraw/zinc/85/66/71/1066856671.db2.gz OMDNPHBZUUGQMA-UHFFFAOYSA-N 0 0 470.549 4.824 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492700479 1066856808 /nfs/dbraw/zinc/85/68/08/1066856808.db2.gz OADMAIYZLCPJQV-KRWDZBQOSA-N 0 0 475.018 4.515 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC001457546095 1066857045 /nfs/dbraw/zinc/85/70/45/1066857045.db2.gz FBKYVEHURFMZPE-UHFFFAOYSA-N 0 0 458.580 4.805 20 0 JJADRN CO[C@]1(C(F)(F)F)CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC001447788889 1066857274 /nfs/dbraw/zinc/85/72/74/1066857274.db2.gz BFPQMJPKVQTDBX-QGZVFWFLSA-N 0 0 452.420 4.941 20 0 JJADRN Cc1ncc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccc(Br)o2)s1 ZINC001492700856 1066857284 /nfs/dbraw/zinc/85/72/84/1066857284.db2.gz JVXYVGHYQDRYTJ-UHFFFAOYSA-N 0 0 494.365 4.952 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C(F)(F)F ZINC001457543445 1066857288 /nfs/dbraw/zinc/85/72/88/1066857288.db2.gz PJMZORFYVBAULH-QHCPKHFHSA-N 0 0 457.452 4.693 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492700948 1066857386 /nfs/dbraw/zinc/85/73/86/1066857386.db2.gz UTSDDFQAKRVNBK-VXGBXAGGSA-N 0 0 482.448 4.990 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492701097 1066857452 /nfs/dbraw/zinc/85/74/52/1066857452.db2.gz WQBRHTIRPADNHR-CHWSQXEVSA-N 0 0 464.458 4.851 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC001447789568 1066857683 /nfs/dbraw/zinc/85/76/83/1066857683.db2.gz ACCZIVOYTXOQTB-UHFFFAOYSA-N 0 0 451.633 4.596 20 0 JJADRN CCC1(CC)CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)c2ccc(Br)cc21 ZINC001457546700 1066857799 /nfs/dbraw/zinc/85/77/99/1066857799.db2.gz SLSIZIZOSLWRCV-CQSZACIVSA-N 0 0 456.384 4.944 20 0 JJADRN CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457546720 1066857807 /nfs/dbraw/zinc/85/78/07/1066857807.db2.gz SSJJQCIFFKECOE-GGAORHGYSA-N 0 0 451.636 4.805 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492701371 1066857902 /nfs/dbraw/zinc/85/79/02/1066857902.db2.gz SKNUFHQCFRPXRQ-MRXNPFEDSA-N 0 0 468.446 4.793 20 0 JJADRN C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC001447792171 1066858281 /nfs/dbraw/zinc/85/82/81/1066858281.db2.gz QGBUWOMSFOGDPD-GOSISDBHSA-N 0 0 450.579 4.577 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C1 ZINC001447791742 1066858326 /nfs/dbraw/zinc/85/83/26/1066858326.db2.gz KTZNNIDXXOAVRZ-FQEVSTJZSA-N 0 0 451.470 4.699 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492701504 1066858456 /nfs/dbraw/zinc/85/84/56/1066858456.db2.gz WSRZZJPKKGHJNZ-FUHWJXTLSA-N 0 0 486.642 4.996 20 0 JJADRN Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC001492701561 1066858527 /nfs/dbraw/zinc/85/85/27/1066858527.db2.gz YDYBDBJKIGWFRG-HNNXBMFYSA-N 0 0 467.565 4.737 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001457549457 1066858674 /nfs/dbraw/zinc/85/86/74/1066858674.db2.gz STFPJEUGFPSIIX-UHFFFAOYSA-N 0 0 450.638 4.926 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC001447793154 1066859018 /nfs/dbraw/zinc/85/90/18/1066859018.db2.gz CHOKABZSTCIUGF-KKSFZXQISA-N 0 0 454.514 4.776 20 0 JJADRN Cc1cc2cc[nH]c2cc1NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC001447793860 1066859117 /nfs/dbraw/zinc/85/91/17/1066859117.db2.gz JYKCJLLJFUQOJY-UHFFFAOYSA-N 0 0 454.379 4.970 20 0 JJADRN CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457552305 1066859263 /nfs/dbraw/zinc/85/92/63/1066859263.db2.gz YFVNIKALWPUWNF-CTNGQTDRSA-N 0 0 458.027 4.678 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC001492701737 1066859337 /nfs/dbraw/zinc/85/93/37/1066859337.db2.gz DWSFWBHFSDULGY-QZTJIDSGSA-N 0 0 470.609 4.857 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC001447797822 1066860335 /nfs/dbraw/zinc/86/03/35/1066860335.db2.gz KSDLURBMQPJQAQ-PGRDOPGGSA-N 0 0 458.514 4.755 20 0 JJADRN Cc1cc(C(C)(C)C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001447798060 1066860394 /nfs/dbraw/zinc/86/03/94/1066860394.db2.gz UPYFNRUPQPRPPS-UHFFFAOYSA-N 0 0 453.421 4.941 20 0 JJADRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001447799325 1066860813 /nfs/dbraw/zinc/86/08/13/1066860813.db2.gz KNFZTQRQJONIOI-DJKXOVBDSA-N 0 0 450.904 4.606 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001447799735 1066860965 /nfs/dbraw/zinc/86/09/65/1066860965.db2.gz LJKDBMAYIUQMRG-KSSFIOAISA-N 0 0 452.311 4.598 20 0 JJADRN Cc1ncc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2c(F)cccc2Cl)s1 ZINC001492702673 1066861129 /nfs/dbraw/zinc/86/11/29/1066861129.db2.gz MYPBCHJFDBRXOM-UHFFFAOYSA-N 0 0 491.017 4.512 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001457558818 1066861258 /nfs/dbraw/zinc/86/12/58/1066861258.db2.gz RJYNYHYECRWCLO-WOOVXOMTSA-N 0 0 455.643 4.760 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001457558816 1066861306 /nfs/dbraw/zinc/86/13/06/1066861306.db2.gz RJYNYHYECRWCLO-RKONGDRVSA-N 0 0 455.643 4.760 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001447801208 1066861523 /nfs/dbraw/zinc/86/15/23/1066861523.db2.gz HOYPMDDDEIEAHK-KRWDZBQOSA-N 0 0 452.776 4.551 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492703015 1066861813 /nfs/dbraw/zinc/86/18/13/1066861813.db2.gz ZRARVRZJVWIDJK-IBGZPJMESA-N 0 0 462.019 4.575 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)cc1I ZINC001457561899 1066862145 /nfs/dbraw/zinc/86/21/45/1066862145.db2.gz HAAYWPPQFKAYKK-UHFFFAOYSA-N 0 0 459.696 4.627 20 0 JJADRN O=C(Nc1ccccc1C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)OCc1ccccc1 ZINC001447801846 1066862187 /nfs/dbraw/zinc/86/21/87/1066862187.db2.gz NBXAZODYBMHELC-VGSWGCGISA-N 0 0 450.457 4.649 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001492704146 1066862392 /nfs/dbraw/zinc/86/23/92/1066862392.db2.gz RNIDJOBJMFGTDA-FQEVSTJZSA-N 0 0 473.625 4.577 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)cc1F ZINC001492703860 1066862406 /nfs/dbraw/zinc/86/24/06/1066862406.db2.gz HNZRDELFHRSQPF-UHFFFAOYSA-N 0 0 462.577 4.633 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457564132 1066862754 /nfs/dbraw/zinc/86/27/54/1066862754.db2.gz KARNSMZGAPNGAB-IAGOWNOFSA-N 0 0 450.501 4.981 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492704469 1066863041 /nfs/dbraw/zinc/86/30/41/1066863041.db2.gz DFVQBBBZXNNKPJ-UHFFFAOYSA-N 0 0 468.403 4.657 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1F ZINC001492704335 1066863061 /nfs/dbraw/zinc/86/30/61/1066863061.db2.gz ZEQJIFXWHBZGNE-IRXDYDNUSA-N 0 0 456.635 4.878 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492704384 1066863080 /nfs/dbraw/zinc/86/30/80/1066863080.db2.gz AMTCQJMYSNLEDL-XZOQPEGZSA-N 0 0 499.704 4.860 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 ZINC001492704488 1066863250 /nfs/dbraw/zinc/86/32/50/1066863250.db2.gz FFMUUKISVTVHHY-OAQYLSRUSA-N 0 0 497.644 4.607 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Br)c1 ZINC001492704478 1066863267 /nfs/dbraw/zinc/86/32/67/1066863267.db2.gz DRCUOFZHBNHVCD-UHFFFAOYSA-N 0 0 482.430 4.668 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC001457565085 1066863392 /nfs/dbraw/zinc/86/33/92/1066863392.db2.gz FPXLTDOJOYLVQB-HHHXNRCGSA-N 0 0 452.558 4.643 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492704727 1066863862 /nfs/dbraw/zinc/86/38/62/1066863862.db2.gz LMYYTXPPLYDBTN-CRAIPNDOSA-N 0 0 450.484 4.704 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704817 1066863918 /nfs/dbraw/zinc/86/39/18/1066863918.db2.gz NUXJRRXCIZVBMX-KNQAVFIVSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492705011 1066864028 /nfs/dbraw/zinc/86/40/28/1066864028.db2.gz SNFPTLWMLDIBLK-UHFFFAOYSA-N 0 0 488.493 4.515 20 0 JJADRN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565301 1066864072 /nfs/dbraw/zinc/86/40/72/1066864072.db2.gz ILMJBRSTYZLDAT-JHJVBQTASA-N 0 0 459.805 4.634 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC001457565983 1066864124 /nfs/dbraw/zinc/86/41/24/1066864124.db2.gz RMSJRVJLKCTMBW-SFHVURJKSA-N 0 0 458.549 4.949 20 0 JJADRN CCn1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(=O)c2cc(Cl)ccc21 ZINC001457566337 1066864182 /nfs/dbraw/zinc/86/41/82/1066864182.db2.gz LYYBJMQNOWQLAO-UHFFFAOYSA-N 0 0 451.885 4.931 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001492705319 1066864758 /nfs/dbraw/zinc/86/47/58/1066864758.db2.gz BTLQXHYGVXWVNH-UHFFFAOYSA-N 0 0 466.804 4.878 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492705320 1066864808 /nfs/dbraw/zinc/86/48/08/1066864808.db2.gz BVGLMDGAPYXTNC-IBGZPJMESA-N 0 0 460.985 4.728 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492705451 1066864999 /nfs/dbraw/zinc/86/49/99/1066864999.db2.gz GHXCVGZCENLEJO-WMZHIEFXSA-N 0 0 484.620 4.794 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(CC)C3)ccc2C)cc1 ZINC001447812773 1066865019 /nfs/dbraw/zinc/86/50/19/1066865019.db2.gz MXYNDLQLLDVTAC-RUZDIDTESA-N 0 0 458.624 4.780 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 ZINC001447812840 1066865117 /nfs/dbraw/zinc/86/51/17/1066865117.db2.gz NJBGAQKFWVAUOI-HSZRJFAPSA-N 0 0 456.951 4.515 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001457568592 1066865318 /nfs/dbraw/zinc/86/53/18/1066865318.db2.gz VANFXCQGRAMTBX-GOSISDBHSA-N 0 0 453.583 4.684 20 0 JJADRN Cc1cc(C)cc(OCCNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC001457568568 1066865364 /nfs/dbraw/zinc/86/53/64/1066865364.db2.gz XYSNPNLDYSAUFK-OAQYLSRUSA-N 0 0 451.394 4.950 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001492705461 1066865477 /nfs/dbraw/zinc/86/54/77/1066865477.db2.gz GQPALHXAUWLUQG-LJQANCHMSA-N 0 0 475.460 4.635 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CO4)cc2Cl)n1 ZINC001447815602 1066865636 /nfs/dbraw/zinc/86/56/36/1066865636.db2.gz UMQZHRWYRNLPRU-UHFFFAOYSA-N 0 0 458.927 4.865 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC001457569510 1066865940 /nfs/dbraw/zinc/86/59/40/1066865940.db2.gz BJAXLVSWDXNBDN-QFIPXVFZSA-N 0 0 454.636 4.647 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC001457569506 1066865982 /nfs/dbraw/zinc/86/59/82/1066865982.db2.gz BJAXLVSWDXNBDN-JOCHJYFZSA-N 0 0 454.636 4.647 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1CSC)Oc1cccc(F)c1 ZINC001546000763 1066866494 /nfs/dbraw/zinc/86/64/94/1066866494.db2.gz AJESOHMTSJTOHS-NHCUHLMSSA-N 0 0 455.603 4.592 20 0 JJADRN C[C@@H](OC(=O)c1c(F)cccc1I)c1c(F)cccc1-n1cccn1 ZINC001457571443 1066867232 /nfs/dbraw/zinc/86/72/32/1066867232.db2.gz FARHIBHOCHKFNA-LLVKDONJSA-N 0 0 454.214 4.673 20 0 JJADRN C[C@H](OC(=O)c1c(F)cccc1I)c1c(F)cccc1-n1cccn1 ZINC001457571457 1066867239 /nfs/dbraw/zinc/86/72/39/1066867239.db2.gz FARHIBHOCHKFNA-NSHDSACASA-N 0 0 454.214 4.673 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 ZINC001492706164 1066867570 /nfs/dbraw/zinc/86/75/70/1066867570.db2.gz FCZBVTHEFIDPOE-DHIUTWEWSA-N 0 0 468.621 4.958 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(CCc3ccccc3)ccc2O)ccc1Br ZINC001447841964 1066867692 /nfs/dbraw/zinc/86/76/92/1066867692.db2.gz UDQZRBGQWVRUPJ-UHFFFAOYSA-N 0 0 454.320 4.979 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706487 1066868384 /nfs/dbraw/zinc/86/83/84/1066868384.db2.gz ONOHSINSPBUWFF-UHFFFAOYSA-N 0 0 478.494 4.680 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 ZINC001492706523 1066868937 /nfs/dbraw/zinc/86/89/37/1066868937.db2.gz QDQLAIVFJVDVCL-OYRHEFFESA-N 0 0 485.677 4.803 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CCCC(C)(C)C1 ZINC001492706801 1066868970 /nfs/dbraw/zinc/86/89/70/1066868970.db2.gz AJHBHVPKRJYZRM-UHFFFAOYSA-N 0 0 463.449 4.991 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3I)no2)cc1 ZINC001457575395 1066868962 /nfs/dbraw/zinc/86/89/62/1066868962.db2.gz PUWNQPHIVWPYEW-UHFFFAOYSA-N 0 0 454.651 4.861 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2nc3cc(Cl)ccc3n2C)[C@H]1c1ccc(OC)cc1 ZINC001457575499 1066868986 /nfs/dbraw/zinc/86/89/86/1066868986.db2.gz LGXBYYINFFQCFX-PGRDOPGGSA-N 0 0 454.958 4.564 20 0 JJADRN Cc1nccn1CCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)cc1Cl ZINC001492706702 1066869075 /nfs/dbraw/zinc/86/90/75/1066869075.db2.gz XBQWNJRVCFPFFS-UHFFFAOYSA-N 0 0 489.809 4.823 20 0 JJADRN Cc1nccn1CCCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)cc1Cl ZINC001492706726 1066869108 /nfs/dbraw/zinc/86/91/08/1066869108.db2.gz YFHLKQNBTADZQV-UHFFFAOYSA-N 0 0 489.809 4.823 20 0 JJADRN C[C@H]1CCC[C@H](NC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CC1 ZINC001447846174 1066869054 /nfs/dbraw/zinc/86/90/54/1066869054.db2.gz HMCARFRNAAHUAY-LPHOPBHVSA-N 0 0 450.421 4.646 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492707167 1066869958 /nfs/dbraw/zinc/86/99/58/1066869958.db2.gz NCXILHRPCDGAIL-IBGZPJMESA-N 0 0 450.631 4.842 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC001457579881 1066870206 /nfs/dbraw/zinc/87/02/06/1066870206.db2.gz VWLIGSPVQPQSJR-RYUDHWBXSA-N 0 0 457.021 4.972 20 0 JJADRN Cc1nc(CCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)sc1C ZINC001457581792 1066870762 /nfs/dbraw/zinc/87/07/62/1066870762.db2.gz FNOFHURQHNNYED-UHFFFAOYSA-N 0 0 458.381 4.747 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC(C)(C)C1 ZINC001492707448 1066870933 /nfs/dbraw/zinc/87/09/33/1066870933.db2.gz VRVOFFQOTWOWDH-UHFFFAOYSA-N 0 0 466.630 4.580 20 0 JJADRN O=C(Nc1ccc2cc(Br)ccc2c1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC001457584779 1066871409 /nfs/dbraw/zinc/87/14/09/1066871409.db2.gz IRORUFKULJGBLA-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492707751 1066871596 /nfs/dbraw/zinc/87/15/96/1066871596.db2.gz GQCPHPBSEDNNIH-WOJBJXKFSA-N 0 0 485.677 4.613 20 0 JJADRN O=C(NCC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC001447864994 1066871530 /nfs/dbraw/zinc/87/15/30/1066871530.db2.gz IIEUZSLPCDNQMH-QGZVFWFLSA-N 0 0 457.905 4.797 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001447863759 1066871750 /nfs/dbraw/zinc/87/17/50/1066871750.db2.gz FYJCRJFQOXCDAA-LJQANCHMSA-N 0 0 452.311 4.732 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)CSc2ccc(C)cc2)C1(C)C ZINC001447864898 1066871790 /nfs/dbraw/zinc/87/17/90/1066871790.db2.gz GRIGUXXGZFUKOQ-YJLYGGOZSA-N 0 0 450.645 4.690 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001492708558 1066872381 /nfs/dbraw/zinc/87/23/81/1066872381.db2.gz DWLZWYYAFBYHPC-LJQANCHMSA-N 0 0 479.629 4.616 20 0 JJADRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001447868081 1066872280 /nfs/dbraw/zinc/87/22/80/1066872280.db2.gz LAHHWGRLUUOVRF-VWLOTQADSA-N 0 0 458.624 4.845 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)C1 ZINC001492708736 1066872432 /nfs/dbraw/zinc/87/24/32/1066872432.db2.gz KLGSNWWGEUZQBX-LJQANCHMSA-N 0 0 468.671 4.692 20 0 JJADRN Cc1nccn1CCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001492708579 1066872446 /nfs/dbraw/zinc/87/24/46/1066872446.db2.gz FIVRSWPRZDWTSQ-UHFFFAOYSA-N 0 0 469.515 4.514 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492708388 1066872477 /nfs/dbraw/zinc/87/24/77/1066872477.db2.gz YMBUFBSQTBRFQQ-CALCHBBNSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001447869916 1066872758 /nfs/dbraw/zinc/87/27/58/1066872758.db2.gz PFKLYZFCNRPHMF-VCSGRIEYSA-N 0 0 455.599 4.642 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492708855 1066873019 /nfs/dbraw/zinc/87/30/19/1066873019.db2.gz NWPSBKNFPTWQGH-NRFANRHFSA-N 0 0 476.547 4.669 20 0 JJADRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cccc(NC(=O)c2cccnc2)c1 ZINC001447893665 1066874096 /nfs/dbraw/zinc/87/40/96/1066874096.db2.gz MIPUOEIIUWNZFZ-UHFFFAOYSA-N 0 0 453.886 4.897 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)CC1CC1 ZINC001447897360 1066874202 /nfs/dbraw/zinc/87/42/02/1066874202.db2.gz RFTHETRHLMDQSR-UHFFFAOYSA-N 0 0 454.955 4.973 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492710025 1066874431 /nfs/dbraw/zinc/87/44/31/1066874431.db2.gz ARUMNUFMHZGPHU-CQSZACIVSA-N 0 0 493.837 4.570 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492710073 1066874466 /nfs/dbraw/zinc/87/44/66/1066874466.db2.gz CBYUAHXYOGHOAP-MRXNPFEDSA-N 0 0 481.489 4.552 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001492710035 1066874531 /nfs/dbraw/zinc/87/45/31/1066874531.db2.gz AZFQXFXKECKENW-UHFFFAOYSA-N 0 0 492.834 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC001447903645 1066874712 /nfs/dbraw/zinc/87/47/12/1066874712.db2.gz IIJFMLNHCWOLSX-NRFANRHFSA-N 0 0 455.368 4.504 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC001447903553 1066874872 /nfs/dbraw/zinc/87/48/72/1066874872.db2.gz HDUPQTXPESKWJK-LJQANCHMSA-N 0 0 452.954 4.701 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492710563 1066875775 /nfs/dbraw/zinc/87/57/75/1066875775.db2.gz UNLMDPQKHDBXEZ-OKILXGFUSA-N 0 0 451.427 4.787 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)CC1 ZINC001492710420 1066875901 /nfs/dbraw/zinc/87/59/01/1066875901.db2.gz ONXKVDZMXTXQEA-UHFFFAOYSA-N 0 0 463.811 4.802 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492710698 1066875919 /nfs/dbraw/zinc/87/59/19/1066875919.db2.gz YSJRSMJVLPQKLQ-UHFFFAOYSA-N 0 0 481.320 4.612 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457602621 1066875905 /nfs/dbraw/zinc/87/59/05/1066875905.db2.gz BMDOXLFZACGBNY-CYBMUJFWSA-N 0 0 454.880 4.501 20 0 JJADRN C[C@]1(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(c2cccc(Cl)c2F)=NO1 ZINC001447910297 1066875934 /nfs/dbraw/zinc/87/59/34/1066875934.db2.gz HAHFHCZJJTZBSZ-HXUWFJFHSA-N 0 0 455.839 4.879 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492710506 1066876062 /nfs/dbraw/zinc/87/60/62/1066876062.db2.gz RHRCVXZFCJGEND-HXUWFJFHSA-N 0 0 466.630 4.579 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cscn1 ZINC001492710652 1066876145 /nfs/dbraw/zinc/87/61/45/1066876145.db2.gz XKSRCHQATBPWHT-UHFFFAOYSA-N 0 0 492.834 4.659 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001457605773 1066876508 /nfs/dbraw/zinc/87/65/08/1066876508.db2.gz JBIVCZYTFSNUAN-UHFFFAOYSA-N 0 0 453.926 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC[C@H]1C1CC1 ZINC001447918758 1066876723 /nfs/dbraw/zinc/87/67/23/1066876723.db2.gz ZXNQWJMRXVAPDJ-RBUKOAKNSA-N 0 0 453.505 4.681 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1 ZINC001447920791 1066876858 /nfs/dbraw/zinc/87/68/58/1066876858.db2.gz FLXLQKSMAUATHO-KDURUIRLSA-N 0 0 457.596 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3cc(-c4ccccc4F)no3)o2)CC1 ZINC001457609862 1066877340 /nfs/dbraw/zinc/87/73/40/1066877340.db2.gz CTILUHSHXWUEOZ-UHFFFAOYSA-N 0 0 456.474 4.836 20 0 JJADRN Cc1nccn1CCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492712021 1066877627 /nfs/dbraw/zinc/87/76/27/1066877627.db2.gz PEUFOKFKFODLNJ-UHFFFAOYSA-N 0 0 478.519 4.930 20 0 JJADRN Cc1nccn1CCn1c(CCCc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001492712290 1066877778 /nfs/dbraw/zinc/87/77/78/1066877778.db2.gz YEPLZCLGXPEHOO-UHFFFAOYSA-N 0 0 489.571 4.770 20 0 JJADRN Cc1nccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492712772 1066878590 /nfs/dbraw/zinc/87/85/90/1066878590.db2.gz NRGIHHAWIGMLGQ-MRXNPFEDSA-N 0 0 466.989 4.910 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492713222 1066879092 /nfs/dbraw/zinc/87/90/92/1066879092.db2.gz AWZSQCGSDDLIQH-HNNXBMFYSA-N 0 0 498.454 4.745 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546092456 1066879172 /nfs/dbraw/zinc/87/91/72/1066879172.db2.gz AECDTXUPIFBYDI-JOCHJYFZSA-N 0 0 457.585 4.605 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001546001400 1066879464 /nfs/dbraw/zinc/87/94/64/1066879464.db2.gz MNLZXFBEDWQRAL-DOTOQJQBSA-N 0 0 474.631 4.728 20 0 JJADRN CCSCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001447943527 1066879481 /nfs/dbraw/zinc/87/94/81/1066879481.db2.gz YZDWMMFKVFKJOC-UHFFFAOYSA-N 0 0 450.526 4.993 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC(C)(C)C1 ZINC001492713548 1066879766 /nfs/dbraw/zinc/87/97/66/1066879766.db2.gz NPQFPEYMMMPGRW-UHFFFAOYSA-N 0 0 491.434 4.520 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccsc1 ZINC001492713586 1066879827 /nfs/dbraw/zinc/87/98/27/1066879827.db2.gz OLWSVEVQWHTSDI-UHFFFAOYSA-N 0 0 487.402 4.886 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cs1 ZINC001447947686 1066879973 /nfs/dbraw/zinc/87/99/73/1066879973.db2.gz OUKPKVNLZSXAKF-ICSRJNTNSA-N 0 0 450.391 4.517 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492713694 1066880213 /nfs/dbraw/zinc/88/02/13/1066880213.db2.gz SHMOBRNRGLEYLB-BETUJISGSA-N 0 0 497.413 4.838 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC(F)(F)F ZINC001492713852 1066880219 /nfs/dbraw/zinc/88/02/19/1066880219.db2.gz YBFNIMRJCWIFKJ-UHFFFAOYSA-N 0 0 486.498 4.847 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001457618096 1066880177 /nfs/dbraw/zinc/88/01/77/1066880177.db2.gz KGWRSYBQJSZXNN-IBGZPJMESA-N 0 0 455.711 4.792 20 0 JJADRN Cc1ccc2nc(C(=O)Nc3cc(-c4ccc(I)cc4)[nH]n3)ccc2c1 ZINC001457617335 1066880190 /nfs/dbraw/zinc/88/01/90/1066880190.db2.gz SYNYOEJANYWNHD-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN C[C@H](CNC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)N1CCCCC1=O ZINC001447948729 1066880377 /nfs/dbraw/zinc/88/03/77/1066880377.db2.gz BQQKQTDZYDGAEL-OAHLLOKOSA-N 0 0 459.377 4.527 20 0 JJADRN CC(C)(C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447949584 1066880391 /nfs/dbraw/zinc/88/03/91/1066880391.db2.gz XWLCVYBRPPQPAC-HXUWFJFHSA-N 0 0 454.369 4.788 20 0 JJADRN CC(C)[C@H](CNC(=O)CCC[S@](=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC001447950826 1066880559 /nfs/dbraw/zinc/88/05/59/1066880559.db2.gz FFDSZBJFKBBHMA-PPHZAIPVSA-N 0 0 450.442 4.968 20 0 JJADRN Cc1nccnc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492713916 1066880879 /nfs/dbraw/zinc/88/08/79/1066880879.db2.gz APSJQQUHROOCJL-IBGZPJMESA-N 0 0 497.688 4.606 20 0 JJADRN Cc1cc(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)c2ccccc2n1 ZINC001457618488 1066881158 /nfs/dbraw/zinc/88/11/58/1066881158.db2.gz YWJKRDSEHIWLTF-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN C[C@@H](CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)N1CCCCC1=O ZINC001447952889 1066881108 /nfs/dbraw/zinc/88/11/08/1066881108.db2.gz LJABMSMBDXFGJL-ZDUSSCGKSA-N 0 0 454.423 4.912 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC001447955182 1066881769 /nfs/dbraw/zinc/88/17/69/1066881769.db2.gz GEICKTMQYWUHJG-RTWAWAEBSA-N 0 0 454.567 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC001447955176 1066881789 /nfs/dbraw/zinc/88/17/89/1066881789.db2.gz GEICKTMQYWUHJG-NHCUHLMSSA-N 0 0 454.567 4.597 20 0 JJADRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC001457620505 1066882093 /nfs/dbraw/zinc/88/20/93/1066882093.db2.gz PGAHTFOTUHRTFT-SNVBAGLBSA-N 0 0 452.812 4.769 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001457621287 1066882773 /nfs/dbraw/zinc/88/27/73/1066882773.db2.gz GVNPIGCONXZMBC-BMLIUANNSA-N 0 0 457.702 4.621 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 ZINC001492717009 1066883247 /nfs/dbraw/zinc/88/32/47/1066883247.db2.gz GXPPDSYDDKRUEX-OAHLLOKOSA-N 0 0 465.454 4.992 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001457622120 1066883246 /nfs/dbraw/zinc/88/32/46/1066883246.db2.gz ILGBUJFWWAHOLP-NSHDSACASA-N 0 0 452.274 4.628 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC001457623695 1066883754 /nfs/dbraw/zinc/88/37/54/1066883754.db2.gz NBZQXAJLRCIYFR-MRXNPFEDSA-N 0 0 457.343 4.852 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1ccc(OC)c(O)c1 ZINC001447962877 1066883794 /nfs/dbraw/zinc/88/37/94/1066883794.db2.gz AZZFLSARGMNRNR-OAQYLSRUSA-N 0 0 459.857 4.630 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc2S1 ZINC001457622619 1066883916 /nfs/dbraw/zinc/88/39/16/1066883916.db2.gz VQCOVYOVHNIQGX-LJQANCHMSA-N 0 0 458.649 4.711 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1ccc(OC)c(O)c1 ZINC001447962870 1066883880 /nfs/dbraw/zinc/88/38/80/1066883880.db2.gz AZZFLSARGMNRNR-NRFANRHFSA-N 0 0 459.857 4.630 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC001447962052 1066883958 /nfs/dbraw/zinc/88/39/58/1066883958.db2.gz BAIQSCXWZBOAFX-IBGZPJMESA-N 0 0 459.384 4.636 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Br)c(Cl)c2)c(OC[C@H]2CCOC2)c1 ZINC001457626150 1066884242 /nfs/dbraw/zinc/88/42/42/1066884242.db2.gz QGTAZHSNQUAZJP-INIZCTEOSA-N 0 0 452.776 4.685 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)c(OC[C@@H]2CCOC2)c1 ZINC001457624905 1066884288 /nfs/dbraw/zinc/88/42/88/1066884288.db2.gz NMUMFKHTJAHVLW-QGZVFWFLSA-N 0 0 452.938 4.761 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC001457626080 1066884331 /nfs/dbraw/zinc/88/43/31/1066884331.db2.gz USUSUHBYCPQEHZ-JTQLQIEISA-N 0 0 453.299 4.830 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001457626680 1066884382 /nfs/dbraw/zinc/88/43/82/1066884382.db2.gz FKOJWNWOERPNHP-QGZVFWFLSA-N 0 0 450.398 4.622 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001492717465 1066884320 /nfs/dbraw/zinc/88/43/20/1066884320.db2.gz RSTWTXVPDPTCEQ-CRAIPNDOSA-N 0 0 475.012 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492717405 1066884390 /nfs/dbraw/zinc/88/43/90/1066884390.db2.gz CMPIUIUAQJGKLW-UHFFFAOYSA-N 0 0 487.942 4.630 20 0 JJADRN Cc1cc(N2CCC(NC(=O)C3(c4ccc(C)cc4Br)CCCCC3)CC2)n[nH]1 ZINC001447965204 1066884487 /nfs/dbraw/zinc/88/44/87/1066884487.db2.gz IWFXZKRHGXAHSG-UHFFFAOYSA-N 0 0 459.432 4.776 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(F)cn1 ZINC001492717778 1066884785 /nfs/dbraw/zinc/88/47/85/1066884785.db2.gz WAPFZXUCHPCKJP-UHFFFAOYSA-N 0 0 491.615 4.939 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccnc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492717724 1066884938 /nfs/dbraw/zinc/88/49/38/1066884938.db2.gz LSFZAZYIIJYAPY-IFMALSPDSA-N 0 0 465.646 4.557 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(OC(C)C)CC1)Oc1ccccc1F ZINC001546001649 1066884892 /nfs/dbraw/zinc/88/48/92/1066884892.db2.gz QUUBYJAQZJRFAU-OAQYLSRUSA-N 0 0 467.589 4.654 20 0 JJADRN COc1ccc(CCC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1OC ZINC001447968335 1066885019 /nfs/dbraw/zinc/88/50/19/1066885019.db2.gz YHXGGXBCCFQBJJ-UHFFFAOYSA-N 0 0 451.485 4.973 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001492717919 1066885221 /nfs/dbraw/zinc/88/52/21/1066885221.db2.gz OXKWEOGYXMIIGD-FQEVSTJZSA-N 0 0 475.494 4.881 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc(OC)c1OC ZINC001447972506 1066885692 /nfs/dbraw/zinc/88/56/92/1066885692.db2.gz LZMHBOVRPVLRJG-YPAWHYETSA-N 0 0 451.563 4.860 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1Cc1c(C)sc(C)c1Br ZINC001492718074 1066885933 /nfs/dbraw/zinc/88/59/33/1066885933.db2.gz RRNRGFBBUHWADB-UHFFFAOYSA-N 0 0 488.459 4.749 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(Cl)c1C ZINC001492718420 1066887213 /nfs/dbraw/zinc/88/72/13/1066887213.db2.gz FNUIJWLLGYQHCU-UHFFFAOYSA-N 0 0 455.031 4.927 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3nc(Sc4ccccc4)ns3)c(=O)oc2c1 ZINC001457632535 1066887329 /nfs/dbraw/zinc/88/73/29/1066887329.db2.gz USMHCXOUGVRNAZ-UHFFFAOYSA-N 0 0 453.545 4.684 20 0 JJADRN O=C(c1ccc2c(c1)CCOC2)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447978853 1066887532 /nfs/dbraw/zinc/88/75/32/1066887532.db2.gz CIYAEJGDTMZLCM-DEOSSOPVSA-N 0 0 453.485 4.737 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccc(F)c2)c1 ZINC001457634211 1066888003 /nfs/dbraw/zinc/88/80/03/1066888003.db2.gz USAMJFWAEHEHHK-UHFFFAOYSA-N 0 0 458.530 4.782 20 0 JJADRN CN(C)c1nc(Cl)c(C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)s1 ZINC001447984751 1066888483 /nfs/dbraw/zinc/88/84/83/1066888483.db2.gz ZENHWPHEUBXOON-UHFFFAOYSA-N 0 0 450.004 4.838 20 0 JJADRN Cc1cn2ccc(C(=O)N(Cc3ccccc3)C[C@H](O)c3cccc(OC(F)F)c3)cc2n1 ZINC001447984705 1066888494 /nfs/dbraw/zinc/88/84/94/1066888494.db2.gz RLBJGTJEQMBBJD-QFIPXVFZSA-N 0 0 451.473 4.620 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)c1 ZINC001457637283 1066888685 /nfs/dbraw/zinc/88/86/85/1066888685.db2.gz XQEPCPCHPOSTIB-GFCCVEGCSA-N 0 0 450.429 4.670 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccccc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546002021 1066888618 /nfs/dbraw/zinc/88/86/18/1066888618.db2.gz YGAPZYLFVDENGF-UGKGYDQZSA-N 0 0 476.625 4.691 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC001457638242 1066889123 /nfs/dbraw/zinc/88/91/23/1066889123.db2.gz ZGZYEOVETIBMKF-AREMUKBSSA-N 0 0 459.565 4.995 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001447995485 1066889383 /nfs/dbraw/zinc/88/93/83/1066889383.db2.gz ZEKOMZLMHIEWKQ-OAHLLOKOSA-N 0 0 456.391 4.633 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001492720228 1066889359 /nfs/dbraw/zinc/88/93/59/1066889359.db2.gz IYTLVNUNUZWAOW-SZMVWBNQSA-N 0 0 475.062 4.800 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCC1(C)C ZINC001492720241 1066889407 /nfs/dbraw/zinc/88/94/07/1066889407.db2.gz JJMBCWGBSFZCFS-LJQANCHMSA-N 0 0 454.594 4.809 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1Cc1sccc1Br ZINC001492719770 1066889469 /nfs/dbraw/zinc/88/94/69/1066889469.db2.gz VMASHGNCDNTBNI-UHFFFAOYSA-N 0 0 463.449 4.795 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492720468 1066889931 /nfs/dbraw/zinc/88/99/31/1066889931.db2.gz PNAIILYRJQAPLN-MDZRGWNJSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C/C=C\c1ccccc1 ZINC001492720501 1066890027 /nfs/dbraw/zinc/89/00/27/1066890027.db2.gz QOGAFJWFWJOKNA-DEJHIXPGSA-N 0 0 462.642 4.897 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC001457648172 1066890196 /nfs/dbraw/zinc/89/01/96/1066890196.db2.gz BMOBQJUISOBMGU-JOCHJYFZSA-N 0 0 452.938 4.503 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492720673 1066890477 /nfs/dbraw/zinc/89/04/77/1066890477.db2.gz XJUJJZVXNNBHSQ-VQTJNVASSA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492720710 1066890536 /nfs/dbraw/zinc/89/05/36/1066890536.db2.gz YWTKXNWWDHOOIK-KNQAVFIVSA-N 0 0 487.048 4.721 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccccc1F ZINC001492720735 1066890880 /nfs/dbraw/zinc/89/08/80/1066890880.db2.gz ZIOYNAQQBHWKTI-WSCWJOSJSA-N 0 0 498.647 4.790 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492720956 1066891500 /nfs/dbraw/zinc/89/15/00/1066891500.db2.gz GWISFKGUUVEMLA-CHWSQXEVSA-N 0 0 463.449 4.650 20 0 JJADRN CC(C)n1cc2ccc(NC(=O)c3cnn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2n1 ZINC001457658510 1066891605 /nfs/dbraw/zinc/89/16/05/1066891605.db2.gz JSDXJKBKUMJOKR-FQEVSTJZSA-N 0 0 452.559 4.638 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccccc31)CCO2 ZINC001448023614 1066891581 /nfs/dbraw/zinc/89/15/81/1066891581.db2.gz GJGWDJBZOSORLH-FCHUYYIVSA-N 0 0 452.551 4.560 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001448023653 1066891704 /nfs/dbraw/zinc/89/17/04/1066891704.db2.gz NPHSUINSZFQSTP-HXUWFJFHSA-N 0 0 451.395 4.691 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 ZINC001492721076 1066892230 /nfs/dbraw/zinc/89/22/30/1066892230.db2.gz KZNYWCTXMXPNPB-GFCCVEGCSA-N 0 0 451.427 4.592 20 0 JJADRN O=C(N1CCO[C@H](c2ccc(F)cc2F)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001448028201 1066892398 /nfs/dbraw/zinc/89/23/98/1066892398.db2.gz YHOHXDPCKISQEE-RBBKRZOGSA-N 0 0 455.423 4.533 20 0 JJADRN CN1CCN(c2cc(C(=O)Nc3cccc(Oc4cccc(C(F)(F)F)c4)c3)ccn2)CC1 ZINC001448031315 1066892787 /nfs/dbraw/zinc/89/27/87/1066892787.db2.gz OGOJVWOWEZROTF-UHFFFAOYSA-N 0 0 456.468 4.897 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC001457662557 1066892793 /nfs/dbraw/zinc/89/27/93/1066892793.db2.gz LSZBPWZJZNDBKD-NRFANRHFSA-N 0 0 459.514 4.850 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001492721673 1066893204 /nfs/dbraw/zinc/89/32/04/1066893204.db2.gz FXIONACUURWBEU-UHFFFAOYSA-N 0 0 489.590 4.611 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C)CC2 ZINC001448034690 1066893269 /nfs/dbraw/zinc/89/32/69/1066893269.db2.gz XNWDDZCCDAMQCI-QFIPXVFZSA-N 0 0 457.412 4.795 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCCC1 ZINC001492721558 1066893443 /nfs/dbraw/zinc/89/34/43/1066893443.db2.gz CFKYOEUAZJPYGE-UHFFFAOYSA-N 0 0 499.704 4.808 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)OC(C)C ZINC001448048901 1066893543 /nfs/dbraw/zinc/89/35/43/1066893543.db2.gz IMSIFRZBHFVYEM-XZOQPEGZSA-N 0 0 456.583 4.852 20 0 JJADRN Cc1ccc(-c2cnc(NC(=O)CS(=O)(=O)Nc3ccc(OC(C)C)cc3)s2)c(C)c1 ZINC001448038637 1066893553 /nfs/dbraw/zinc/89/35/53/1066893553.db2.gz QTGWSWMAPOJOJO-UHFFFAOYSA-N 0 0 459.593 4.595 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1-c1cccc(Cl)c1 ZINC001457666493 1066893802 /nfs/dbraw/zinc/89/38/02/1066893802.db2.gz UYJKKQZZFCBQKI-OAHLLOKOSA-N 0 0 454.905 4.869 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001492722672 1066893801 /nfs/dbraw/zinc/89/38/01/1066893801.db2.gz LIARBXBXNCCBHR-UHFFFAOYSA-N 0 0 485.455 4.728 20 0 JJADRN COc1ccc2c(O)c(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)cnc2c1 ZINC001457670518 1066894459 /nfs/dbraw/zinc/89/44/59/1066894459.db2.gz OHAWMJDFILRCJE-UHFFFAOYSA-N 0 0 455.352 4.541 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC3CCCC3)n2CCCC(C)(C)C)CC1 ZINC001492723389 1066894386 /nfs/dbraw/zinc/89/43/86/1066894386.db2.gz MHPQRZNIWGAXIX-UHFFFAOYSA-N 0 0 455.695 4.510 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)OC(C)C ZINC001448055496 1066894498 /nfs/dbraw/zinc/89/44/98/1066894498.db2.gz XWYBPXXBVIDLFP-GOSISDBHSA-N 0 0 459.896 4.847 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)n2)cc1 ZINC001448059119 1066894655 /nfs/dbraw/zinc/89/46/55/1066894655.db2.gz UHWPCJVALFQRMN-UHFFFAOYSA-N 0 0 458.209 4.511 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CC2CCOCC2)n(C)n1 ZINC001492723955 1066894795 /nfs/dbraw/zinc/89/47/95/1066894795.db2.gz GXKHZWMBSRWDEC-LJQANCHMSA-N 0 0 487.048 4.641 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001492723517 1066894870 /nfs/dbraw/zinc/89/48/70/1066894870.db2.gz QBJIGKBSVGZPAX-FQEVSTJZSA-N 0 0 495.741 4.720 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001457672613 1066895315 /nfs/dbraw/zinc/89/53/15/1066895315.db2.gz LSDSLWPTSXQTSY-XOBRGWDASA-N 0 0 455.357 4.861 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ccc(Br)o2)n(C)n1 ZINC001492724837 1066895436 /nfs/dbraw/zinc/89/54/36/1066895436.db2.gz JMEWVPPZKZFSJP-UHFFFAOYSA-N 0 0 475.778 4.681 20 0 JJADRN Cc1cc(C2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)ccc1Br ZINC001448063477 1066895653 /nfs/dbraw/zinc/89/56/53/1066895653.db2.gz DFUSNXOPGNUKRR-UHFFFAOYSA-N 0 0 451.405 4.721 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccc2F)n(C)n1 ZINC001492725041 1066895951 /nfs/dbraw/zinc/89/59/51/1066895951.db2.gz PYNQGNUJRKZWLU-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n(C)n1 ZINC001492725002 1066895993 /nfs/dbraw/zinc/89/59/93/1066895993.db2.gz OMSWQXGNFZNOSK-QHCPKHFHSA-N 0 0 477.440 4.984 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC001457680434 1066895887 /nfs/dbraw/zinc/89/58/87/1066895887.db2.gz LFDDCLNVCZBQIP-JXFKEZNVSA-N 0 0 454.514 4.516 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)n(C)n1 ZINC001492726880 1066896376 /nfs/dbraw/zinc/89/63/76/1066896376.db2.gz ZQDJVIYRDPNLCF-SFHVURJKSA-N 0 0 455.676 4.921 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2C[C@@H](C)CC[C@@H]2C)n(C)n1 ZINC001492725758 1066896476 /nfs/dbraw/zinc/89/64/76/1066896476.db2.gz SEZWNHOBZMXCPP-PXNSSMCTSA-N 0 0 471.049 4.967 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)n(C)n1 ZINC001492727512 1066897029 /nfs/dbraw/zinc/89/70/29/1066897029.db2.gz WJQFLOIZYNVXBS-IIBYNOLFSA-N 0 0 490.574 4.879 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)n(C)n1 ZINC001492727412 1066897113 /nfs/dbraw/zinc/89/71/13/1066897113.db2.gz RMSKBDYSLQYEMW-UHFFFAOYSA-N 0 0 480.657 4.639 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC001457685806 1066897176 /nfs/dbraw/zinc/89/71/76/1066897176.db2.gz JPJJIARAXMBLAQ-UHFFFAOYSA-N 0 0 458.562 4.772 20 0 JJADRN Cc1cc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)cc(C)c1OCc1cccnc1 ZINC001448073741 1066897507 /nfs/dbraw/zinc/89/75/07/1066897507.db2.gz DPWVPJGQVWUQGF-UHFFFAOYSA-N 0 0 459.468 4.586 20 0 JJADRN CN(C(=O)CCSc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448074645 1066897619 /nfs/dbraw/zinc/89/76/19/1066897619.db2.gz NAVDTHMWGNHKHO-QGZVFWFLSA-N 0 0 457.434 4.693 20 0 JJADRN COc1cccc(CC2(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)CCCCC2)c1 ZINC001448078449 1066897646 /nfs/dbraw/zinc/89/76/46/1066897646.db2.gz QGTWJVITXMPZRM-UHFFFAOYSA-N 0 0 450.501 4.883 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001448079772 1066898105 /nfs/dbraw/zinc/89/81/05/1066898105.db2.gz ZQVCAWSZUGNXEO-HOYKHHGWSA-N 0 0 455.396 4.776 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c2ccccc2OC)cc1 ZINC001546002696 1066898778 /nfs/dbraw/zinc/89/87/78/1066898778.db2.gz SLMUUGXHOXNJDG-QPPBQGQZSA-N 0 0 454.567 4.603 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)n1 ZINC001457696211 1066898960 /nfs/dbraw/zinc/89/89/60/1066898960.db2.gz VNLUHVSSVIVYCZ-UHFFFAOYSA-N 0 0 455.580 4.563 20 0 JJADRN COCCNc1ccccc1CNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001457694294 1066899036 /nfs/dbraw/zinc/89/90/36/1066899036.db2.gz VTTCVAAQVZWOLR-UHFFFAOYSA-N 0 0 456.340 4.625 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)c(Cl)c1 ZINC001457695444 1066899050 /nfs/dbraw/zinc/89/90/50/1066899050.db2.gz XYRDMGJCFHURCE-QGZVFWFLSA-N 0 0 452.338 4.687 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492729510 1066899269 /nfs/dbraw/zinc/89/92/69/1066899269.db2.gz DRXSYJZRNRVLQB-OFVILXPXSA-N 0 0 486.064 4.836 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ccccc2N1 ZINC001457696085 1066899359 /nfs/dbraw/zinc/89/93/59/1066899359.db2.gz PRZZWZSFZFXYRO-HSZRJFAPSA-N 0 0 455.624 4.737 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3C[C@@H](C(C)C)Nc4ccccc43)cc2)cc1 ZINC001457698887 1066899387 /nfs/dbraw/zinc/89/93/87/1066899387.db2.gz VOXXHAIEFUHDDM-VWLOTQADSA-N 0 0 457.574 4.651 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cc2csc(CCC(F)(F)F)n2)cc1 ZINC001457696156 1066899391 /nfs/dbraw/zinc/89/93/91/1066899391.db2.gz YTDKQJPPFGXMLU-UHFFFAOYSA-N 0 0 457.518 4.886 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CSc1nccn1-c1cccc(C)c1C)c1cccc(C)c1C ZINC001448097255 1066899532 /nfs/dbraw/zinc/89/95/32/1066899532.db2.gz FRSSSIOLMOOGKW-HSZRJFAPSA-N 0 0 451.592 4.619 20 0 JJADRN CN(c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)S(C)(=O)=O ZINC001457699239 1066900006 /nfs/dbraw/zinc/90/00/06/1066900006.db2.gz PYZYIJBGVKESCX-UHFFFAOYSA-N 0 0 456.376 4.765 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)c3coc(-c4ccc(Br)cc4F)n3)nc2c1 ZINC001448103369 1066900126 /nfs/dbraw/zinc/90/01/26/1066900126.db2.gz JPQJECBUBYWUHO-JTQLQIEISA-N 0 0 459.275 4.619 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCCC(C)(C)C)C2)n1 ZINC001492730056 1066900304 /nfs/dbraw/zinc/90/03/04/1066900304.db2.gz OVUIEPODIKFDDD-SFHVURJKSA-N 0 0 489.466 4.912 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C)n3Cc3ccc([C@H](F)C(F)(F)F)cc3)C2)n1 ZINC001492729960 1066900354 /nfs/dbraw/zinc/90/03/54/1066900354.db2.gz NPZFMZLDXBHPPR-UXHICEINSA-N 0 0 450.484 4.863 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1cc(-c2ccc(Br)o2)no1 ZINC001457703466 1066900491 /nfs/dbraw/zinc/90/04/91/1066900491.db2.gz MRQGJRXAKFVNSI-VXGBXAGGSA-N 0 0 454.321 4.529 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCSCc3ccccc3F)C2)n1 ZINC001492730603 1066900730 /nfs/dbraw/zinc/90/07/30/1066900730.db2.gz YZPPUQGKRCJPGT-FQEVSTJZSA-N 0 0 457.623 4.524 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492730507 1066900751 /nfs/dbraw/zinc/90/07/51/1066900751.db2.gz XKMQZFCDZOXCHH-HXAGEGRHSA-N 0 0 484.620 4.619 20 0 JJADRN CC(=O)Nc1sc(NC(=O)c2cnc(Cl)c(Br)c2)nc1-c1ccccc1 ZINC001448113475 1066900982 /nfs/dbraw/zinc/90/09/82/1066900982.db2.gz QDBWHGLHFMLKHO-UHFFFAOYSA-N 0 0 451.733 4.832 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3cnc4c(OC(F)(F)F)cccc4c3O)CC2)cc1 ZINC001448110948 1066901031 /nfs/dbraw/zinc/90/10/31/1066901031.db2.gz KGYGYFSAFFLYIC-UHFFFAOYSA-N 0 0 459.468 4.513 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cs1 ZINC001448110777 1066901078 /nfs/dbraw/zinc/90/10/78/1066901078.db2.gz NCRGFOORDMYFBP-INIZCTEOSA-N 0 0 452.020 4.875 20 0 JJADRN COCCC1(CNC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001457709533 1066901257 /nfs/dbraw/zinc/90/12/57/1066901257.db2.gz ANQSXGOONVWFMX-HNNXBMFYSA-N 0 0 457.621 4.619 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccc(-c3ncco3)cc2)cc1 ZINC001457709044 1066901305 /nfs/dbraw/zinc/90/13/05/1066901305.db2.gz LYPUKMACNNTHKP-UHFFFAOYSA-N 0 0 451.523 4.816 20 0 JJADRN CC[C@@]1(CO)CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001448118198 1066901376 /nfs/dbraw/zinc/90/13/76/1066901376.db2.gz YBGBDUPLROPVGD-IFMALSPDSA-N 0 0 450.348 4.719 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(F)c3)C2)n1 ZINC001492731119 1066901594 /nfs/dbraw/zinc/90/15/94/1066901594.db2.gz LQNWXYOEYOKCIA-IRLDBZIGSA-N 0 0 454.594 4.738 20 0 JJADRN CN(C)C(=O)NCCN(C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC001457710577 1066901665 /nfs/dbraw/zinc/90/16/65/1066901665.db2.gz WNKPGYAYXGXLFP-UHFFFAOYSA-N 0 0 452.558 4.912 20 0 JJADRN COc1ccc2c(ccn2CC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC001457710581 1066901712 /nfs/dbraw/zinc/90/17/12/1066901712.db2.gz HYIXYTGQLYEAOC-UHFFFAOYSA-N 0 0 453.296 4.633 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448121071 1066902032 /nfs/dbraw/zinc/90/20/32/1066902032.db2.gz RELYUQDVPREOSE-UHFFFAOYSA-N 0 0 455.530 4.943 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccncc4)n3CCCSCC(C)C)C2)n1 ZINC001492731283 1066902119 /nfs/dbraw/zinc/90/21/19/1066902119.db2.gz PTSGATBUBMWQTD-QHCPKHFHSA-N 0 0 467.687 4.698 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC[C@H]2CCO[C@H](C)C2)n1 ZINC001492731461 1066902339 /nfs/dbraw/zinc/90/23/39/1066902339.db2.gz AQRHAANZAWSALE-BKULYWANSA-N 0 0 480.657 4.508 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC001492731305 1066902349 /nfs/dbraw/zinc/90/23/49/1066902349.db2.gz QNMGYKGMLZXHJC-HXUWFJFHSA-N 0 0 461.536 4.594 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCc3ccccc3OC(F)F)C2)n1 ZINC001492731384 1066902426 /nfs/dbraw/zinc/90/24/26/1066902426.db2.gz SDOXQQGRADDOMI-NRFANRHFSA-N 0 0 472.584 4.976 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@H]2CCCCO2)nnc1N(C)CCOC(C)(C)C ZINC001492731387 1066902509 /nfs/dbraw/zinc/90/25/09/1066902509.db2.gz SECIVPWBHAQJFI-XMMPIXPASA-N 0 0 480.657 4.681 20 0 JJADRN O=C(NCc1ccn(C2CCCC2)n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001457713676 1066902834 /nfs/dbraw/zinc/90/28/34/1066902834.db2.gz YPUBVZWEJOTEGY-UHFFFAOYSA-N 0 0 455.912 4.598 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001457715088 1066902858 /nfs/dbraw/zinc/90/28/58/1066902858.db2.gz QYYIFCHANDJGTN-OAHLLOKOSA-N 0 0 454.395 4.701 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)n1 ZINC001492731740 1066902965 /nfs/dbraw/zinc/90/29/65/1066902965.db2.gz WIFXWXRQHPYXIA-HXUWFJFHSA-N 0 0 490.578 4.573 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492731921 1066903389 /nfs/dbraw/zinc/90/33/89/1066903389.db2.gz GTXFWIWINUZSGH-GOSISDBHSA-N 0 0 479.654 4.845 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c1C ZINC001457715421 1066903368 /nfs/dbraw/zinc/90/33/68/1066903368.db2.gz XAUMMKVBYIGAOZ-GFCCVEGCSA-N 0 0 450.345 4.879 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001448131179 1066903558 /nfs/dbraw/zinc/90/35/58/1066903558.db2.gz MOKJNBQYUYYZQI-UHFFFAOYSA-N 0 0 459.543 4.890 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546003025 1066903967 /nfs/dbraw/zinc/90/39/67/1066903967.db2.gz BYJZIUPLIJQBFC-QZTJIDSGSA-N 0 0 486.642 4.524 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)c2N1 ZINC001448140075 1066904443 /nfs/dbraw/zinc/90/44/43/1066904443.db2.gz VWSLVAUIHMLXLJ-ISDMBGJFSA-N 0 0 475.284 4.973 20 0 JJADRN CCOC(Cn1cc(C(=O)Nc2nc(-c3cccc4ccccc43)c(C)s2)nn1)OCC ZINC001448156235 1066904874 /nfs/dbraw/zinc/90/48/74/1066904874.db2.gz IVHFFOWEUGHAGV-UHFFFAOYSA-N 0 0 451.552 4.515 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2C[C@@H](C)c2nccs2)n1 ZINC001492732260 1066904862 /nfs/dbraw/zinc/90/48/62/1066904862.db2.gz MEVXJEWZYZHRFY-RHSMWYFYSA-N 0 0 471.581 4.876 20 0 JJADRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC(C)(C)C(=O)NCC3CCCCC3)c12 ZINC001457727176 1066905054 /nfs/dbraw/zinc/90/50/54/1066905054.db2.gz RJZAQCRPKFAPDM-UHFFFAOYSA-N 0 0 454.615 4.894 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492732527 1066905076 /nfs/dbraw/zinc/90/50/76/1066905076.db2.gz QTCGUBRBQPKWOE-AZUAARDMSA-N 0 0 458.557 4.868 20 0 JJADRN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001457725775 1066905215 /nfs/dbraw/zinc/90/52/15/1066905215.db2.gz QQPILFSLUPKNNM-QHCPKHFHSA-N 0 0 455.917 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@@](C)(O)c2cccs2)n1 ZINC001492732688 1066905714 /nfs/dbraw/zinc/90/57/14/1066905714.db2.gz TXPYEPPRNNSMIO-MZNJEOGPSA-N 0 0 486.592 4.585 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@H](C)c2c(C)noc2C)n1 ZINC001492732863 1066906084 /nfs/dbraw/zinc/90/60/84/1066906084.db2.gz XCOPGMQNBFPXOI-KXBFYZLASA-N 0 0 465.577 4.885 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001546003209 1066906355 /nfs/dbraw/zinc/90/63/55/1066906355.db2.gz FOAHXOPPKQKMJM-OXJNMPFZSA-N 0 0 473.618 4.634 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCSC3)n2Cc2c(C)sc(C)c2Br)n1 ZINC001492733121 1066906554 /nfs/dbraw/zinc/90/65/54/1066906554.db2.gz CFOPYZYQGYULHI-INIZCTEOSA-N 0 0 495.516 4.571 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2Cc2nc(C)c(C)s2)n1 ZINC001492732992 1066906597 /nfs/dbraw/zinc/90/65/97/1066906597.db2.gz ZAUBYJSPIXOYGL-KRWDZBQOSA-N 0 0 453.591 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)[C@H](c2ccncc2)C1 ZINC001448171960 1066906721 /nfs/dbraw/zinc/90/67/21/1066906721.db2.gz ASXQOZQIMJLMGO-SFHVURJKSA-N 0 0 458.921 4.790 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001457734283 1066906761 /nfs/dbraw/zinc/90/67/61/1066906761.db2.gz YDBCDCULUPIWTD-HTAPYJJXSA-N 0 0 477.403 4.937 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@H]1Oc1ccccc1 ZINC001448169189 1066906731 /nfs/dbraw/zinc/90/67/31/1066906731.db2.gz YHSUIQIWSOSUDC-ZDXQCDESSA-N 0 0 453.970 4.556 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2Cc2ccoc2)n1 ZINC001492733395 1066906954 /nfs/dbraw/zinc/90/69/54/1066906954.db2.gz JGNBVTFDWYPAFR-HXUWFJFHSA-N 0 0 487.377 4.691 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC001448175602 1066907146 /nfs/dbraw/zinc/90/71/46/1066907146.db2.gz HZVJHSJJVAYRPA-XMMPIXPASA-N 0 0 456.011 4.753 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457737717 1066907385 /nfs/dbraw/zinc/90/73/85/1066907385.db2.gz WOXISRDAURZXPV-UHFFFAOYSA-N 0 0 456.970 4.787 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC001457738299 1066907793 /nfs/dbraw/zinc/90/77/93/1066907793.db2.gz LXAWLMIDIADALT-TZIWHRDSSA-N 0 0 458.942 4.540 20 0 JJADRN O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC001457738006 1066907875 /nfs/dbraw/zinc/90/78/75/1066907875.db2.gz FJKISXLDHYOVOA-PGRDOPGGSA-N 0 0 458.530 4.959 20 0 JJADRN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC001448187427 1066908110 /nfs/dbraw/zinc/90/81/10/1066908110.db2.gz HVYKVDQPURVXRA-JOCHJYFZSA-N 0 0 451.567 4.615 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)nc1C1CCCC1 ZINC001457740099 1066908240 /nfs/dbraw/zinc/90/82/40/1066908240.db2.gz BPJOFJAMRUDAPE-GOSISDBHSA-N 0 0 455.580 4.702 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CCC1 ZINC001457740134 1066908257 /nfs/dbraw/zinc/90/82/57/1066908257.db2.gz BTQGVUHVNNVSJU-JOCHJYFZSA-N 0 0 457.412 4.833 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)OC ZINC001546003337 1066908499 /nfs/dbraw/zinc/90/84/99/1066908499.db2.gz HUWDUEDQJBYHCR-GGAORHGYSA-N 0 0 496.681 4.702 20 0 JJADRN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001457741906 1066908591 /nfs/dbraw/zinc/90/85/91/1066908591.db2.gz GCJCCRVLRZDAIV-URXFXBBRSA-N 0 0 457.542 4.834 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)c3ccc(OCC4CC4)c(F)c3)no2)c1 ZINC001457743463 1066908966 /nfs/dbraw/zinc/90/89/66/1066908966.db2.gz SVKYNJALMBZFKV-OAHLLOKOSA-N 0 0 452.482 4.875 20 0 JJADRN Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(Br)c1 ZINC001457743191 1066909022 /nfs/dbraw/zinc/90/90/22/1066909022.db2.gz FSWOBIGNLVMYEA-UHFFFAOYSA-N 0 0 451.311 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2Cc2sc(C)nc2C)n1 ZINC001492735545 1066908998 /nfs/dbraw/zinc/90/89/98/1066908998.db2.gz AHOHOZYJMBJSLL-UHFFFAOYSA-N 0 0 474.009 4.690 20 0 JJADRN CCc1c(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)cnn1-c1ccccn1 ZINC001448200083 1066909306 /nfs/dbraw/zinc/90/93/06/1066909306.db2.gz SLBWOFDJBKGMJF-UHFFFAOYSA-N 0 0 453.384 4.786 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)nc1 ZINC001457745698 1066909332 /nfs/dbraw/zinc/90/93/32/1066909332.db2.gz FMLUTKAPBSAPFM-HXUWFJFHSA-N 0 0 457.299 4.679 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC001448199962 1066909446 /nfs/dbraw/zinc/90/94/46/1066909446.db2.gz RTZZTULIPQBDTC-HZPDHXFCSA-N 0 0 453.421 4.879 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2ccnc(OC(F)F)c2)n1 ZINC001492735889 1066909860 /nfs/dbraw/zinc/90/98/60/1066909860.db2.gz NJQKMZCTINZXLJ-UHFFFAOYSA-N 0 0 493.971 4.536 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@@]2(C)CCCO2)n1 ZINC001492735984 1066909906 /nfs/dbraw/zinc/90/99/06/1066909906.db2.gz PWTVRAHOFCGFRA-JOCHJYFZSA-N 0 0 480.510 4.503 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccoc1C)NC(=O)OC(C)(C)C ZINC001546003629 1066909908 /nfs/dbraw/zinc/90/99/08/1066909908.db2.gz MTTBVYZNVJRFPI-LJQANCHMSA-N 0 0 459.616 4.772 20 0 JJADRN CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC001448220888 1066910267 /nfs/dbraw/zinc/91/02/67/1066910267.db2.gz JKHMLDFJNLQWQK-QHCPKHFHSA-N 0 0 452.576 4.592 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492735670 1066910375 /nfs/dbraw/zinc/91/03/75/1066910375.db2.gz FKHIWGAZGPHFNV-RTBURBONSA-N 0 0 488.583 4.581 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@H]2CCO[C@H](C)C2)n1 ZINC001492736189 1066910711 /nfs/dbraw/zinc/91/07/11/1066910711.db2.gz XNNQEEYDMJORMV-MJGOQNOKSA-N 0 0 494.537 4.749 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492736202 1066910748 /nfs/dbraw/zinc/91/07/48/1066910748.db2.gz XWZQFIRJZXTVFS-ZWKOTPCHSA-N 0 0 450.509 4.971 20 0 JJADRN CN(CCO)Cc1cc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)ccc1Cl ZINC001448225133 1066910902 /nfs/dbraw/zinc/91/09/02/1066910902.db2.gz GWNXBSGAZZIQBR-UHFFFAOYSA-N 0 0 456.892 4.723 20 0 JJADRN Cc1nc(Br)sc1C(=O)Nc1cc(I)ccc1Cl ZINC001457751274 1066911018 /nfs/dbraw/zinc/91/10/18/1066911018.db2.gz CQPFNURRDPCMHM-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c(Br)c1C(F)(F)F ZINC001457751655 1066911038 /nfs/dbraw/zinc/91/10/38/1066911038.db2.gz YAFZYCPHVFSLAE-UHFFFAOYSA-N 0 0 450.230 4.914 20 0 JJADRN CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457752710 1066911509 /nfs/dbraw/zinc/91/15/09/1066911509.db2.gz VDUSVRBAOUPZQO-UHFFFAOYSA-N 0 0 454.979 4.945 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Cl)n2C[C@H](C)c2nccs2)n1 ZINC001492736832 1066911928 /nfs/dbraw/zinc/91/19/28/1066911928.db2.gz VKGBGCDWKFUJCX-HNNXBMFYSA-N 0 0 456.019 4.690 20 0 JJADRN O=C(Nc1ccc(Br)c(O)c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457753218 1066912029 /nfs/dbraw/zinc/91/20/29/1066912029.db2.gz YGBGSFIHJONPEU-QGZVFWFLSA-N 0 0 454.162 4.693 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)n1 ZINC001492736867 1066911958 /nfs/dbraw/zinc/91/19/58/1066911958.db2.gz WQQSFRHCSKWXFB-QGZVFWFLSA-N 0 0 452.603 4.856 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492736888 1066911969 /nfs/dbraw/zinc/91/19/69/1066911969.db2.gz XCWRJGAWZXTOKJ-UHFFFAOYSA-N 0 0 469.684 4.834 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)c1ccc(Br)cc1 ZINC001448231402 1066912144 /nfs/dbraw/zinc/91/21/44/1066912144.db2.gz VVIAUQAJBUTMIH-MALNDZBISA-N 0 0 455.396 4.954 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3cc(-c4cccc(Br)c4)no3)C2)cc1C ZINC001448234066 1066912633 /nfs/dbraw/zinc/91/26/33/1066912633.db2.gz CWEBCANVJDNXLK-GOSISDBHSA-N 0 0 454.324 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492737466 1066912716 /nfs/dbraw/zinc/91/27/16/1066912716.db2.gz UCLNSGGOTOJNFH-DEOSSOPVSA-N 0 0 487.656 4.524 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)ccc(SCC4CC4)c3F)C2)cc1F ZINC001448236480 1066913210 /nfs/dbraw/zinc/91/32/10/1066913210.db2.gz IAMAUYJGPPMBRA-CQSZACIVSA-N 0 0 450.482 4.538 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)c1 ZINC001448235737 1066913233 /nfs/dbraw/zinc/91/32/33/1066913233.db2.gz QBQMLCLBLTUAAQ-YTFSRNRJSA-N 0 0 466.578 4.628 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001457758210 1066913157 /nfs/dbraw/zinc/91/31/57/1066913157.db2.gz ZZYZXURGSJKTIR-IEZWGBDMSA-N 0 0 452.860 4.518 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)n1 ZINC001492738617 1066913520 /nfs/dbraw/zinc/91/35/20/1066913520.db2.gz DCQKBEVMWISCIG-MRXNPFEDSA-N 0 0 470.046 4.732 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)n1 ZINC001492738616 1066913543 /nfs/dbraw/zinc/91/35/43/1066913543.db2.gz DCQKBEVMWISCIG-INIZCTEOSA-N 0 0 470.046 4.732 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(C)C)cc12 ZINC001448236963 1066913503 /nfs/dbraw/zinc/91/35/03/1066913503.db2.gz ADDFTYGIIGCOQJ-IERDGZPVSA-N 0 0 454.640 4.873 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001457764592 1066914036 /nfs/dbraw/zinc/91/40/36/1066914036.db2.gz WOUSMQGXCYMXIX-QHCPKHFHSA-N 0 0 454.530 4.701 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492739332 1066914061 /nfs/dbraw/zinc/91/40/61/1066914061.db2.gz FPKAEBULPZHXKH-AOYPEHQESA-N 0 0 464.658 4.660 20 0 JJADRN CN1Cc2cc(-c3csc(NC(=O)CCCOc4ccc(F)cc4F)n3)ccc2NC1=O ZINC001457766917 1066914422 /nfs/dbraw/zinc/91/44/22/1066914422.db2.gz AVAPPBRCHCPHCT-UHFFFAOYSA-N 0 0 458.490 4.863 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H](CO)CC2CCCC2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001448240556 1066914438 /nfs/dbraw/zinc/91/44/38/1066914438.db2.gz DSPZFMXLLIRKBZ-MRXNPFEDSA-N 0 0 451.350 4.622 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001492739398 1066914515 /nfs/dbraw/zinc/91/45/15/1066914515.db2.gz HPUQWPOJCJOZDO-HHHXNRCGSA-N 0 0 464.658 4.540 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCOc3ccccc3C)n2C[C@@H]2CCC(F)(F)C2)n1 ZINC001492739393 1066914522 /nfs/dbraw/zinc/91/45/22/1066914522.db2.gz HOBDUEIGFMGAEI-OAQYLSRUSA-N 0 0 472.584 4.789 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)C2)cc1C ZINC001448241615 1066914487 /nfs/dbraw/zinc/91/44/87/1066914487.db2.gz QEJNBXNNEHFELP-IBGZPJMESA-N 0 0 453.539 4.582 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)cc1C ZINC001448243559 1066914497 /nfs/dbraw/zinc/91/44/97/1066914497.db2.gz SXLLJTMZWGNCIV-DVECYGJZSA-N 0 0 456.542 4.648 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)cc1C ZINC001448243551 1066914545 /nfs/dbraw/zinc/91/45/45/1066914545.db2.gz SXLLJTMZWGNCIV-CYFREDJKSA-N 0 0 456.542 4.648 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC001457768207 1066914750 /nfs/dbraw/zinc/91/47/50/1066914750.db2.gz YMSUQNHJZBZVGC-WOJBJXKFSA-N 0 0 453.457 4.633 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)C2)cc1C ZINC001448245435 1066914889 /nfs/dbraw/zinc/91/48/89/1066914889.db2.gz VRWCDSFBCZDEJV-XMMPIXPASA-N 0 0 458.514 4.922 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C3CCCC3)n2C[C@](C)(O)c2cccs2)n1 ZINC001492740465 1066915409 /nfs/dbraw/zinc/91/54/09/1066915409.db2.gz WNMLQKVOZGWIIZ-DEOSSOPVSA-N 0 0 456.660 4.514 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)C2)cc1C ZINC001448248433 1066915423 /nfs/dbraw/zinc/91/54/23/1066915423.db2.gz JSBMLDYURZRWEH-OAQYLSRUSA-N 0 0 459.521 4.926 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2Cc2ccc(C)s2)n1 ZINC001492740553 1066915724 /nfs/dbraw/zinc/91/57/24/1066915724.db2.gz ZFDWPUVGSVJEOS-UHFFFAOYSA-N 0 0 471.030 4.727 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2CC2(C)CCCC2)n1 ZINC001492740546 1066915762 /nfs/dbraw/zinc/91/57/62/1066915762.db2.gz YXPHWIUIQILGOY-UHFFFAOYSA-N 0 0 457.022 4.889 20 0 JJADRN CCOC(=O)c1cnc(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c(Cl)c1 ZINC001457773226 1066916019 /nfs/dbraw/zinc/91/60/19/1066916019.db2.gz LVDDSJMDCSRPTB-MRXNPFEDSA-N 0 0 455.711 4.694 20 0 JJADRN O=C(NOC[C@H]1CCOC1)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC001457772953 1066916085 /nfs/dbraw/zinc/91/60/85/1066916085.db2.gz PGHAWXNYHXOFJX-NNTXTVRGSA-N 0 0 459.365 4.927 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1c(F)cccc1F ZINC001457773010 1066916110 /nfs/dbraw/zinc/91/61/10/1066916110.db2.gz JRRKPWLRAYEKMC-LIRRHRJNSA-N 0 0 457.304 4.519 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1c(F)cccc1F ZINC001457773009 1066916120 /nfs/dbraw/zinc/91/61/20/1066916120.db2.gz JRRKPWLRAYEKMC-KUHUBIRLSA-N 0 0 457.304 4.519 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001448289303 1066916079 /nfs/dbraw/zinc/91/60/79/1066916079.db2.gz AGTOCMCEIQLJSO-VWLOTQADSA-N 0 0 454.571 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001448286559 1066916100 /nfs/dbraw/zinc/91/61/00/1066916100.db2.gz ZDDHGVBQRFKYGX-GOSISDBHSA-N 0 0 458.990 4.807 20 0 JJADRN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1C(N)=O ZINC001448281865 1066916191 /nfs/dbraw/zinc/91/61/91/1066916191.db2.gz QHBAIIWZQYECES-QGZVFWFLSA-N 0 0 450.564 4.831 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCc2ccc(OC)cc2C1)NC(=O)OC(C)(C)C ZINC001546004252 1066916237 /nfs/dbraw/zinc/91/62/37/1066916237.db2.gz YQFKAEXVRBEANN-NRFANRHFSA-N 0 0 497.665 4.805 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1cc(-c2ccccc2F)on1 ZINC001457774831 1066916405 /nfs/dbraw/zinc/91/64/05/1066916405.db2.gz DEECQABTSSTRCT-MHZLTWQESA-N 0 0 451.317 4.770 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001492740902 1066916621 /nfs/dbraw/zinc/91/66/21/1066916621.db2.gz MKTXMFNNNLUOPJ-UHFFFAOYSA-N 0 0 487.674 4.531 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCC[C@H]3C)c2)cc1 ZINC001448298565 1066916579 /nfs/dbraw/zinc/91/65/79/1066916579.db2.gz DQYYCXVZJISVRQ-CVEARBPZSA-N 0 0 450.988 4.706 20 0 JJADRN CCSc1cc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)ccn1 ZINC001457775003 1066916662 /nfs/dbraw/zinc/91/66/62/1066916662.db2.gz UHNPUCCRCHQSRZ-SFHVURJKSA-N 0 0 454.423 4.961 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2Cc2ccc(F)cc2F)n1 ZINC001492741214 1066916734 /nfs/dbraw/zinc/91/67/34/1066916734.db2.gz VUFALMLOCMUEOY-UHFFFAOYSA-N 0 0 456.566 4.943 20 0 JJADRN Cc1cc2cn[nH]c2c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)c1 ZINC001448292653 1066916790 /nfs/dbraw/zinc/91/67/90/1066916790.db2.gz GVTOZZCQGSECNR-FQEVSTJZSA-N 0 0 454.958 4.959 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O ZINC001448311063 1066917113 /nfs/dbraw/zinc/91/71/13/1066917113.db2.gz WQIBWZYGNCVZHS-UHFFFAOYSA-N 0 0 455.356 4.967 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(-c3ccccc3F)on2)c1 ZINC001457777360 1066917324 /nfs/dbraw/zinc/91/73/24/1066917324.db2.gz QWRFICCXLNEFSS-UHFFFAOYSA-N 0 0 457.527 4.686 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492742765 1066917968 /nfs/dbraw/zinc/91/79/68/1066917968.db2.gz SGEKZHNXHFBUSP-IEBWSBKVSA-N 0 0 490.574 4.892 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492742178 1066917975 /nfs/dbraw/zinc/91/79/75/1066917975.db2.gz NFIVZMLUTCYXEV-RDJZCZTQSA-N 0 0 462.520 4.711 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(=O)[nH]c3c2)cc1 ZINC001448348537 1066918122 /nfs/dbraw/zinc/91/81/22/1066918122.db2.gz FCSSWJDPUPQJFX-FQEVSTJZSA-N 0 0 451.523 4.530 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492743080 1066918428 /nfs/dbraw/zinc/91/84/28/1066918428.db2.gz LRMKUQZKAGIZFM-QHCPKHFHSA-N 0 0 477.657 4.655 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(OC)c(C)cc3C)cc2)cc1 ZINC001448353563 1066918577 /nfs/dbraw/zinc/91/85/77/1066918577.db2.gz MUSSSQROHSJGBU-UHFFFAOYSA-N 0 0 454.548 4.764 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2cc(O)c(Br)cc2Br)c1 ZINC001457783679 1066918720 /nfs/dbraw/zinc/91/87/20/1066918720.db2.gz DWLQRHBQGKPQGZ-UHFFFAOYSA-N 0 0 459.134 4.585 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2Cc2sccc2Br)n1 ZINC001492743128 1066918827 /nfs/dbraw/zinc/91/88/27/1066918827.db2.gz VVMWMZUHUKVAQH-DZGCQCFKSA-N 0 0 463.449 4.637 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCc2ccnc(C(C)(C)C)n2)n1 ZINC001492743417 1066918924 /nfs/dbraw/zinc/91/89/24/1066918924.db2.gz PXDMYNFLGXECSY-NRFANRHFSA-N 0 0 478.689 4.732 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)ccc1C ZINC001448356161 1066919131 /nfs/dbraw/zinc/91/91/31/1066919131.db2.gz PEUFCOYXOVRHBW-QFIPXVFZSA-N 0 0 455.530 4.527 20 0 JJADRN CCCc1c(C(=O)N2CCOc3ccc(Br)cc3C2)cnn1-c1cccc(F)c1 ZINC001448357784 1066919371 /nfs/dbraw/zinc/91/93/71/1066919371.db2.gz WNJFLSPGBOCCMJ-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCOc2ccc(F)cc2)n1 ZINC001492743737 1066919409 /nfs/dbraw/zinc/91/94/09/1066919409.db2.gz WJAHMUSSSFXNJG-HXUWFJFHSA-N 0 0 454.594 4.620 20 0 JJADRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC001457788448 1066920174 /nfs/dbraw/zinc/92/01/74/1066920174.db2.gz ICDOWKOWKNPTSD-CQSZACIVSA-N 0 0 450.445 4.762 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)[C@@H](Cc1cc3ccccc3o1)NC(=O)OC(C)(C)C)CC2 ZINC001448361813 1066920274 /nfs/dbraw/zinc/92/02/74/1066920274.db2.gz VJJHQYDPGYXXJM-JOCHJYFZSA-N 0 0 452.526 4.901 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)[C@H](Cc1cc3ccccc3o1)NC(=O)OC(C)(C)C)CC2 ZINC001448361818 1066920340 /nfs/dbraw/zinc/92/03/40/1066920340.db2.gz VJJHQYDPGYXXJM-QFIPXVFZSA-N 0 0 452.526 4.901 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2cccc(OCC(F)(F)F)c2)n1 ZINC001492744735 1066920480 /nfs/dbraw/zinc/92/04/80/1066920480.db2.gz XBMOSBCCBXQDAC-IRXDYDNUSA-N 0 0 476.547 4.611 20 0 JJADRN COc1cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)ccc1OCc1cscn1 ZINC001448370846 1066920834 /nfs/dbraw/zinc/92/08/34/1066920834.db2.gz HHYBAMCPSZVFIM-RTWAWAEBSA-N 0 0 454.548 4.665 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546005351 1066920854 /nfs/dbraw/zinc/92/08/54/1066920854.db2.gz AKONOTVREANXQP-RPWUZVMVSA-N 0 0 497.684 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492745206 1066920942 /nfs/dbraw/zinc/92/09/42/1066920942.db2.gz JEYMHVBAWQPJKC-IBGZPJMESA-N 0 0 455.676 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001492745394 1066920963 /nfs/dbraw/zinc/92/09/63/1066920963.db2.gz MWTLFCPCMMAZNG-LAUBAEHRSA-N 0 0 482.595 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](c4ccccc4)[C@@H]3C)n2CC(F)(F)Br)n1 ZINC001492745320 1066920986 /nfs/dbraw/zinc/92/09/86/1066920986.db2.gz LEEQPAGONWBLJQ-FUHWJXTLSA-N 0 0 479.373 4.510 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCSC3)c2)cc1 ZINC001457789623 1066921222 /nfs/dbraw/zinc/92/12/22/1066921222.db2.gz VNWPWHAASQSTHE-KRWDZBQOSA-N 0 0 453.029 4.719 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448382665 1066921609 /nfs/dbraw/zinc/92/16/09/1066921609.db2.gz AXHZELUVNJTWIS-SFHVURJKSA-N 0 0 455.274 4.732 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1C[C@@]12CCc1ccccc12 ZINC001448385596 1066921988 /nfs/dbraw/zinc/92/19/88/1066921988.db2.gz DSKWRIICDXPBMP-QWFCFKBJSA-N 0 0 454.286 4.522 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CCSC(C)C)n1 ZINC001492746601 1066922150 /nfs/dbraw/zinc/92/21/50/1066922150.db2.gz BXOCRGIWEBTQPR-UHFFFAOYSA-N 0 0 474.719 4.845 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2ccc(F)cc2Cl)n1 ZINC001492747300 1066922248 /nfs/dbraw/zinc/92/22/48/1066922248.db2.gz WMTOBFBMIFJCNM-UHFFFAOYSA-N 0 0 489.039 4.959 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)o2)cc1 ZINC001457791743 1066922308 /nfs/dbraw/zinc/92/23/08/1066922308.db2.gz PUXGCRPASSTAKO-UHFFFAOYSA-N 0 0 457.412 4.521 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001457797102 1066922751 /nfs/dbraw/zinc/92/27/51/1066922751.db2.gz XYFMQBIQLLXJNE-LJQANCHMSA-N 0 0 453.272 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2OCc3cc(Cl)ccc32)[C@@H](c2cccnc2)C1 ZINC001448398807 1066922849 /nfs/dbraw/zinc/92/28/49/1066922849.db2.gz DOIUWAMWAJRALG-NHCUHLMSSA-N 0 0 457.958 4.517 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448396938 1066922873 /nfs/dbraw/zinc/92/28/73/1066922873.db2.gz IIKKNBWSRXBHLS-MRXNPFEDSA-N 0 0 450.649 4.571 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001457799978 1066923099 /nfs/dbraw/zinc/92/30/99/1066923099.db2.gz AHYCODVXIKSBGY-UHFFFAOYSA-N 0 0 454.514 4.917 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 ZINC001448399148 1066923297 /nfs/dbraw/zinc/92/32/97/1066923297.db2.gz YDAXKRYJSVOVFV-VWLOTQADSA-N 0 0 452.551 4.531 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Cc2csc(NC3(C)CCCC3)n2)C1 ZINC001448404099 1066923348 /nfs/dbraw/zinc/92/33/48/1066923348.db2.gz OWYWMFRYZWIECR-QGZVFWFLSA-N 0 0 450.649 4.584 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1)OC ZINC001546005569 1066923628 /nfs/dbraw/zinc/92/36/28/1066923628.db2.gz FGIKFOVPQFPTPL-NJYVYQBISA-N 0 0 463.667 4.565 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001492749039 1066923794 /nfs/dbraw/zinc/92/37/94/1066923794.db2.gz SNQMLJWLIDPDAI-XZOQPEGZSA-N 0 0 450.631 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492749128 1066923827 /nfs/dbraw/zinc/92/38/27/1066923827.db2.gz USKPEEFLVVOKBH-IITNATTFSA-N 0 0 499.704 4.706 20 0 JJADRN C[C@](NC(=O)c1csc(-c2cccc(Cl)c2)n1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457804644 1066924118 /nfs/dbraw/zinc/92/41/18/1066924118.db2.gz MGBXLLOOPALQTO-LJQANCHMSA-N 0 0 453.873 4.613 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC001492749391 1066924241 /nfs/dbraw/zinc/92/42/41/1066924241.db2.gz ZSKDRVISLGOOSK-MSOLQXFVSA-N 0 0 478.975 4.742 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492749214 1066924287 /nfs/dbraw/zinc/92/42/87/1066924287.db2.gz WLRVEYHVLBRNJL-QHCPKHFHSA-N 0 0 492.672 4.590 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001457805821 1066924415 /nfs/dbraw/zinc/92/44/15/1066924415.db2.gz PKSKGEMGJOWFLH-UHFFFAOYSA-N 0 0 454.246 4.806 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c1 ZINC001457804908 1066924485 /nfs/dbraw/zinc/92/44/85/1066924485.db2.gz OAZXWYXSYJHIQO-UHFFFAOYSA-N 0 0 456.930 4.555 20 0 JJADRN CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)OC(C)(C)C ZINC001457806032 1066924523 /nfs/dbraw/zinc/92/45/23/1066924523.db2.gz ZKDFVQXAFIEJEJ-HSZRJFAPSA-N 0 0 452.595 4.565 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001492749726 1066924586 /nfs/dbraw/zinc/92/45/86/1066924586.db2.gz HOWQUIFQOQDMQA-GOTSBHOMSA-N 0 0 470.065 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448408409 1066924628 /nfs/dbraw/zinc/92/46/28/1066924628.db2.gz HVFLFJSIEHPFKX-LRTDBIEQSA-N 0 0 451.976 4.864 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ccc(Cl)s2)n1 ZINC001492749677 1066924676 /nfs/dbraw/zinc/92/46/76/1066924676.db2.gz GPDZFTFLGSVJHF-QGZVFWFLSA-N 0 0 463.051 4.687 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001492749727 1066924708 /nfs/dbraw/zinc/92/47/08/1066924708.db2.gz HOWQUIFQOQDMQA-PKTZIBPZSA-N 0 0 470.065 4.721 20 0 JJADRN CCc1cc(C(=O)Nc2cccc(N3C(=S)N=NC3C)c2)c2c(CC(C)(C)C)noc2n1 ZINC001457806251 1066924904 /nfs/dbraw/zinc/92/49/04/1066924904.db2.gz NKWYXWMJGKBOJL-UHFFFAOYSA-N 0 0 450.568 4.804 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)Cc1cc(OC)ccc1Br ZINC001457807300 1066924944 /nfs/dbraw/zinc/92/49/44/1066924944.db2.gz XUYBFMLRQLRWMZ-OAHLLOKOSA-N 0 0 455.190 4.900 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492750101 1066924999 /nfs/dbraw/zinc/92/49/99/1066924999.db2.gz PVVPJVBQOIHWNU-RXVVDRJESA-N 0 0 470.687 4.864 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)[nH]n1 ZINC001448410070 1066925401 /nfs/dbraw/zinc/92/54/01/1066925401.db2.gz KYKYHNMKTTUXGL-UHFFFAOYSA-N 0 0 453.514 4.594 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCCSCC(C)C)n1 ZINC001492750614 1066925603 /nfs/dbraw/zinc/92/56/03/1066925603.db2.gz CYDSUYJMEGGKNN-HSZRJFAPSA-N 0 0 468.671 4.966 20 0 JJADRN COc1cc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c(C)c1OC ZINC001448416024 1066925924 /nfs/dbraw/zinc/92/59/24/1066925924.db2.gz NPVGUDCPNOUUCP-WBVHZDCISA-N 0 0 450.576 4.633 20 0 JJADRN C[C@H](C(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC001457812272 1066926187 /nfs/dbraw/zinc/92/61/87/1066926187.db2.gz GGNHVQJIWRKSIQ-FDDCHVKYSA-N 0 0 454.492 4.858 20 0 JJADRN O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001457813135 1066926228 /nfs/dbraw/zinc/92/62/28/1066926228.db2.gz IZWJAGSKPCMJKI-QFIPXVFZSA-N 0 0 454.452 4.583 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCc2ccccc2OC(F)F)n1 ZINC001492751331 1066926215 /nfs/dbraw/zinc/92/62/15/1066926215.db2.gz YEBREKULOPQPOC-KRWDZBQOSA-N 0 0 458.557 4.610 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC001448425600 1066926338 /nfs/dbraw/zinc/92/63/38/1066926338.db2.gz BCWVZXMCFRXBNT-MRXNPFEDSA-N 0 0 451.272 4.905 20 0 JJADRN O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001457813134 1066926325 /nfs/dbraw/zinc/92/63/25/1066926325.db2.gz IZWJAGSKPCMJKI-JOCHJYFZSA-N 0 0 454.452 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001448432317 1066926792 /nfs/dbraw/zinc/92/67/92/1066926792.db2.gz DPEXMEWUUUSORR-QFQXNSOFSA-N 0 0 459.606 4.653 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001492754137 1066926805 /nfs/dbraw/zinc/92/68/05/1066926805.db2.gz QXDOIRCFQAJMGW-WXVAWEFUSA-N 0 0 480.657 4.557 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001492754136 1066926895 /nfs/dbraw/zinc/92/68/95/1066926895.db2.gz QXDOIRCFQAJMGW-CUNXSJBXSA-N 0 0 480.657 4.557 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2Cc2cscc2C(F)(F)F)n1 ZINC001492753976 1066926913 /nfs/dbraw/zinc/92/69/13/1066926913.db2.gz MJGDLSBYMQAMHQ-SFHVURJKSA-N 0 0 482.576 4.520 20 0 JJADRN O=C(Cc1ccc(O)c(F)c1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457817007 1066927199 /nfs/dbraw/zinc/92/71/99/1066927199.db2.gz FJQFSDCILQAMKL-UHFFFAOYSA-N 0 0 454.929 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)n2CC(F)(F)F)n1 ZINC001492754891 1066927201 /nfs/dbraw/zinc/92/72/01/1066927201.db2.gz LETIWWHTAMWCEO-QGZVFWFLSA-N 0 0 489.329 4.587 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)n2CC(F)(F)F)n1 ZINC001492754890 1066927229 /nfs/dbraw/zinc/92/72/29/1066927229.db2.gz LETIWWHTAMWCEO-KRWDZBQOSA-N 0 0 489.329 4.587 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492754976 1066927294 /nfs/dbraw/zinc/92/72/94/1066927294.db2.gz NMDOZCRXEVQZNK-QFIPXVFZSA-N 0 0 472.584 4.678 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC001457818027 1066927573 /nfs/dbraw/zinc/92/75/73/1066927573.db2.gz XEODGSUIMAFLQH-LLVKDONJSA-N 0 0 452.765 4.845 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448437496 1066927511 /nfs/dbraw/zinc/92/75/11/1066927511.db2.gz XGHPIQKTQSMPAL-GOSISDBHSA-N 0 0 454.901 4.798 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2c(C)cccc2C)n1 ZINC001492755982 1066927623 /nfs/dbraw/zinc/92/76/23/1066927623.db2.gz OGCJPBPOZRMFFW-QHCPKHFHSA-N 0 0 452.672 4.577 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3cccs3)C2)n1 ZINC001492756419 1066927910 /nfs/dbraw/zinc/92/79/10/1066927910.db2.gz ADLPVOXAXYKJIQ-YLJYHZDGSA-N 0 0 455.676 4.641 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001457822026 1066928317 /nfs/dbraw/zinc/92/83/17/1066928317.db2.gz ZCSPUGBYRSSOKG-GFCCVEGCSA-N 0 0 454.151 4.987 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCOc3ccc(F)cc3)C2)n1 ZINC001492756912 1066928486 /nfs/dbraw/zinc/92/84/86/1066928486.db2.gz PDMPKWPMIFFPFE-NRFANRHFSA-N 0 0 483.636 4.699 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCN(C)c3ccccc3)C2)n1 ZINC001492757173 1066928525 /nfs/dbraw/zinc/92/85/25/1066928525.db2.gz BQFWTCHBNXOCDI-HSZRJFAPSA-N 0 0 478.689 4.518 20 0 JJADRN Cc1nc(SCC(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)[nH]c1Cc1ccccc1 ZINC001457822256 1066928567 /nfs/dbraw/zinc/92/85/67/1066928567.db2.gz QOCPPAGBWHJGQG-RUZDIDTESA-N 0 0 458.587 4.825 20 0 JJADRN CC[C@H](CNc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457825905 1066928924 /nfs/dbraw/zinc/92/89/24/1066928924.db2.gz QRERXBPJRYEVSE-OAQYLSRUSA-N 0 0 451.592 4.725 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCCN(C)c3ccccc3)C2)n1 ZINC001492757374 1066928974 /nfs/dbraw/zinc/92/89/74/1066928974.db2.gz FHWBTNPZMVSECW-XMMPIXPASA-N 0 0 492.716 4.908 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492757926 1066929271 /nfs/dbraw/zinc/92/92/71/1066929271.db2.gz QJEJEBHKXGXXOG-KRWDZBQOSA-N 0 0 455.573 4.580 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3c(F)cccc3F)C2)n1 ZINC001492757581 1066929387 /nfs/dbraw/zinc/92/93/87/1066929387.db2.gz HTCOTJQBPNMLMV-IBGZPJMESA-N 0 0 471.600 4.513 20 0 JJADRN O=Cc1ccc(OCC(=O)Nc2cccc(OCCc3ccccc3)c2)c(Br)c1 ZINC001448454255 1066929322 /nfs/dbraw/zinc/92/93/22/1066929322.db2.gz UIZGJGIPSGTLNI-UHFFFAOYSA-N 0 0 454.320 4.901 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C2)n1 ZINC001492758085 1066929663 /nfs/dbraw/zinc/92/96/63/1066929663.db2.gz UXVSTBOOZVHDJU-HSZRJFAPSA-N 0 0 479.673 4.827 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3CC(F)(F)F)C2)n1 ZINC001492758225 1066929714 /nfs/dbraw/zinc/92/97/14/1066929714.db2.gz XRKGHUGXIXDNKQ-MRXNPFEDSA-N 0 0 499.994 4.911 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC001492758045 1066929755 /nfs/dbraw/zinc/92/97/55/1066929755.db2.gz SYOXNBGQWSWHEI-HXUWFJFHSA-N 0 0 491.562 4.548 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCOCCC(C)C)C2)n1 ZINC001492758228 1066929830 /nfs/dbraw/zinc/92/98/30/1066929830.db2.gz XWPKZOCADNMWDP-NRFANRHFSA-N 0 0 486.064 4.786 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H](c3ccccc3)C(F)(F)F)c2)C1 ZINC001457832613 1066930174 /nfs/dbraw/zinc/93/01/74/1066930174.db2.gz DRBVNEQLXKGNDA-QINHECLXSA-N 0 0 455.498 4.814 20 0 JJADRN CCc1cccc2c(CC(=O)NC3CCN(Cc4ccc(Br)cc4)CC3)c[nH]c21 ZINC001457832482 1066930303 /nfs/dbraw/zinc/93/03/03/1066930303.db2.gz LMJOWBADXRQSAQ-UHFFFAOYSA-N 0 0 454.412 4.816 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CC2)n1 ZINC001492759128 1066930522 /nfs/dbraw/zinc/93/05/22/1066930522.db2.gz XAJGZJGRYNFWFE-OAQYLSRUSA-N 0 0 468.621 4.813 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475886 1066930638 /nfs/dbraw/zinc/93/06/38/1066930638.db2.gz MJTUSKTZDXKGFB-NRFANRHFSA-N 0 0 450.476 4.776 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)c2)cc1 ZINC001448471903 1066930678 /nfs/dbraw/zinc/93/06/78/1066930678.db2.gz AUDQQSPYCAUAKV-AQYVVDRMSA-N 0 0 452.551 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC001448473516 1066930806 /nfs/dbraw/zinc/93/08/06/1066930806.db2.gz IBXWHFKFCJWTDA-LUGTWXOSSA-N 0 0 452.570 4.914 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CCCc4ccccc4)n3CC(F)(F)F)CC2)n1 ZINC001492758669 1066931131 /nfs/dbraw/zinc/93/11/31/1066931131.db2.gz KSWPUWICDBNGAK-UHFFFAOYSA-N 0 0 460.548 4.746 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CCc4ccccc4)n3CCOC(C)(C)C)CC2)n1 ZINC001492758745 1066931202 /nfs/dbraw/zinc/93/12/02/1066931202.db2.gz LYCBNHIJUUQLQJ-UHFFFAOYSA-N 0 0 464.658 4.608 20 0 JJADRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001448482270 1066931639 /nfs/dbraw/zinc/93/16/39/1066931639.db2.gz YBNVYOJBBSDCBQ-FCHUYYIVSA-N 0 0 453.583 4.745 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1cc(Br)ccn1 ZINC001457845616 1066931593 /nfs/dbraw/zinc/93/15/93/1066931593.db2.gz ODFNYDJTJRGUQT-UHFFFAOYSA-N 0 0 452.761 4.771 20 0 JJADRN Cc1c(C(=O)Nc2cccc(NCC(F)(F)F)c2)nnn1-c1cccc(Br)c1 ZINC001448485581 1066931846 /nfs/dbraw/zinc/93/18/46/1066931846.db2.gz LTIGVAJTJKNXDI-UHFFFAOYSA-N 0 0 454.250 4.565 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccoc2)n1 ZINC001492759839 1066932042 /nfs/dbraw/zinc/93/20/42/1066932042.db2.gz OBKMHZORLSKFBP-LJQANCHMSA-N 0 0 452.534 4.690 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CCO2)n1 ZINC001492759656 1066932048 /nfs/dbraw/zinc/93/20/48/1066932048.db2.gz JTBYCBJTEYGNHL-RTWAWAEBSA-N 0 0 478.632 4.801 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)CCO2)n1 ZINC001492760035 1066932235 /nfs/dbraw/zinc/93/22/35/1066932235.db2.gz TWSUJGIAJBOVQI-OAQYLSRUSA-N 0 0 484.620 4.541 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2ccon2)n1 ZINC001492760365 1066932349 /nfs/dbraw/zinc/93/23/49/1066932349.db2.gz CAIUPOYYTZECBN-UHFFFAOYSA-N 0 0 484.402 4.544 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC001448488402 1066932232 /nfs/dbraw/zinc/93/22/32/1066932232.db2.gz UQKQUOJKAQLILY-GOSISDBHSA-N 0 0 453.461 4.874 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3ccc(OC)c(OC4CCCC4)c3)cc2c(OC)c1 ZINC001457851412 1066932211 /nfs/dbraw/zinc/93/22/11/1066932211.db2.gz DOAOEYNGCHOFOA-UHFFFAOYSA-N 0 0 452.551 4.878 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)n1 ZINC001492760574 1066932598 /nfs/dbraw/zinc/93/25/98/1066932598.db2.gz KBQMCHGKVXJCIN-SFHVURJKSA-N 0 0 476.547 4.942 20 0 JJADRN COc1ccc(CNC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c(F)c1 ZINC001457860339 1066932800 /nfs/dbraw/zinc/93/28/00/1066932800.db2.gz FLPJJSWQKGZGCA-UHFFFAOYSA-N 0 0 455.530 4.634 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)CC2)n1 ZINC001492760680 1066932965 /nfs/dbraw/zinc/93/29/65/1066932965.db2.gz NFAORCFNMUUJSA-SFHVURJKSA-N 0 0 462.520 4.696 20 0 JJADRN C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001448492205 1066932977 /nfs/dbraw/zinc/93/29/77/1066932977.db2.gz ADWXUSIVIFCIJZ-ZFWWWQNUSA-N 0 0 457.518 4.865 20 0 JJADRN COc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc2s1 ZINC001448494127 1066933148 /nfs/dbraw/zinc/93/31/48/1066933148.db2.gz GXVVMZPMFWSVNM-MRXNPFEDSA-N 0 0 450.347 4.855 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)n1 ZINC001492760784 1066933213 /nfs/dbraw/zinc/93/32/13/1066933213.db2.gz RDJMQZVSLMQOAP-UHFFFAOYSA-N 0 0 498.075 4.585 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[C@@H](C)C2)n1 ZINC001492760735 1066933389 /nfs/dbraw/zinc/93/33/89/1066933389.db2.gz PGMHMHGQHFBQDW-HOTGVXAUSA-N 0 0 457.420 4.703 20 0 JJADRN COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC001448496195 1066933573 /nfs/dbraw/zinc/93/35/73/1066933573.db2.gz OXPCFHCFMBPHBP-YPIVRQBDSA-N 0 0 459.489 4.769 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)[C@H](C)C2)n1 ZINC001492760736 1066933627 /nfs/dbraw/zinc/93/36/27/1066933627.db2.gz PGMHMHGQHFBQDW-HZPDHXFCSA-N 0 0 457.420 4.703 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@H](CO)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)s1 ZINC001457869380 1066933760 /nfs/dbraw/zinc/93/37/60/1066933760.db2.gz XNYGZGAQLSJIOC-KRWDZBQOSA-N 0 0 452.555 4.694 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCCC2)n1 ZINC001492760965 1066933771 /nfs/dbraw/zinc/93/37/71/1066933771.db2.gz XSNKJTVHDOBRLI-UHFFFAOYSA-N 0 0 460.424 4.710 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)n1 ZINC001492761099 1066933821 /nfs/dbraw/zinc/93/38/21/1066933821.db2.gz ZRYVBSWSUFEJIJ-UHFFFAOYSA-N 0 0 473.412 4.525 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001457870645 1066933967 /nfs/dbraw/zinc/93/39/67/1066933967.db2.gz UOYVSHDRGYAYHY-WMZHIEFXSA-N 0 0 456.583 4.509 20 0 JJADRN COc1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c(F)c1 ZINC001457870587 1066934003 /nfs/dbraw/zinc/93/40/03/1066934003.db2.gz UBAUJRFBZKDHTG-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001448503162 1066934193 /nfs/dbraw/zinc/93/41/93/1066934193.db2.gz OIOZNHVHQOTOSN-HXUWFJFHSA-N 0 0 455.555 4.907 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)n1 ZINC001492761503 1066934131 /nfs/dbraw/zinc/93/41/31/1066934131.db2.gz ORYXHPGNEVWTGV-HSZRJFAPSA-N 0 0 468.621 4.696 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 ZINC001492761418 1066934198 /nfs/dbraw/zinc/93/41/98/1066934198.db2.gz MBFDFBYUKVJPIR-JOCHJYFZSA-N 0 0 488.583 4.560 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(C)C)C2)n1 ZINC001492761861 1066934547 /nfs/dbraw/zinc/93/45/47/1066934547.db2.gz YQMGENYNHOWOFK-XZOQPEGZSA-N 0 0 499.704 4.779 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC001448506931 1066934546 /nfs/dbraw/zinc/93/45/46/1066934546.db2.gz WUEYYVVMLQZQOW-UHFFFAOYSA-N 0 0 457.715 4.873 20 0 JJADRN Cc1cc(C)n(CCCn2c(CCc3ccccc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC001492761949 1066934572 /nfs/dbraw/zinc/93/45/72/1066934572.db2.gz AVNDAEBXFNHQQW-KDURUIRLSA-N 0 0 456.585 4.694 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2nccc(Br)c2C1 ZINC001457877756 1066934863 /nfs/dbraw/zinc/93/48/63/1066934863.db2.gz MKASWUVJOMUVRT-UHFFFAOYSA-N 0 0 450.695 4.799 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)n1 ZINC001492762309 1066935026 /nfs/dbraw/zinc/93/50/26/1066935026.db2.gz MSIYCNPCWJKJMO-ZWKOTPCHSA-N 0 0 457.022 4.896 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001448509773 1066935198 /nfs/dbraw/zinc/93/51/98/1066935198.db2.gz DFIIQYIFLJUTQG-QFIPXVFZSA-N 0 0 458.967 4.601 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881934 1066935459 /nfs/dbraw/zinc/93/54/59/1066935459.db2.gz CKZJSINBWKBRDR-LLVKDONJSA-N 0 0 454.246 4.938 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492762427 1066935472 /nfs/dbraw/zinc/93/54/72/1066935472.db2.gz RCIMUONQFOTCCA-UHFFFAOYSA-N 0 0 481.592 4.706 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001448513595 1066935512 /nfs/dbraw/zinc/93/55/12/1066935512.db2.gz GXIPYJBSCHLMAP-IRXDYDNUSA-N 0 0 451.405 4.902 20 0 JJADRN Cn1c(=O)ccc2ccc(NC(=O)C(C)(C)[C@@H](O)c3ccc(OCc4ccccc4)cc3)cc21 ZINC001448513993 1066935601 /nfs/dbraw/zinc/93/56/01/1066935601.db2.gz CATPQTXNUKFCIE-SANMLTNESA-N 0 0 456.542 4.816 20 0 JJADRN Cn1c(=O)ccc2ccc(NC(=O)C(C)(C)[C@H](O)c3ccc(OCc4ccccc4)cc3)cc21 ZINC001448513989 1066935616 /nfs/dbraw/zinc/93/56/16/1066935616.db2.gz CATPQTXNUKFCIE-AREMUKBSSA-N 0 0 456.542 4.816 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC001492762619 1066935663 /nfs/dbraw/zinc/93/56/63/1066935663.db2.gz YJQDJTRRZOCCLV-XSEFMFLKSA-N 0 0 499.704 4.967 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CCO[C@H](c4cccc(OC(F)F)c4)C3)nnc2C(C)(C)C)n1 ZINC001492762648 1066935834 /nfs/dbraw/zinc/93/58/34/1066935834.db2.gz ZLFVOAYYFIBZHD-NRFANRHFSA-N 0 0 488.583 4.659 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC001457884507 1066936032 /nfs/dbraw/zinc/93/60/32/1066936032.db2.gz KYBSDYCTJXKAPH-AXHNFQJDSA-N 0 0 456.340 4.879 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C(F)(F)F)CCO2)o1 ZINC001492764885 1066936129 /nfs/dbraw/zinc/93/61/29/1066936129.db2.gz RCRYJGLAJLDBKC-HNNXBMFYSA-N 0 0 488.873 4.595 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(-c4ccc(Br)cc4)n3CC(C)(C)C(C)C)CCO2)o1 ZINC001492764582 1066936196 /nfs/dbraw/zinc/93/61/96/1066936196.db2.gz JVLGBZRFFVVRHC-GOSISDBHSA-N 0 0 489.418 4.659 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCC(F)(F)F)CCO2)o1 ZINC001492764509 1066936241 /nfs/dbraw/zinc/93/62/41/1066936241.db2.gz HYCUWUIQJAJHER-HNNXBMFYSA-N 0 0 491.301 4.864 20 0 JJADRN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)s1 ZINC001457884825 1066936118 /nfs/dbraw/zinc/93/61/18/1066936118.db2.gz HRQRPRDCYRVECM-FQEVSTJZSA-N 0 0 455.045 4.545 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC001448532736 1066936481 /nfs/dbraw/zinc/93/64/81/1066936481.db2.gz AHSCSAZNKBYEKC-GOSISDBHSA-N 0 0 453.539 4.604 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492765394 1066936565 /nfs/dbraw/zinc/93/65/65/1066936565.db2.gz FVQJNMUADTYLSN-NXVRBGIVSA-N 0 0 462.570 4.534 20 0 JJADRN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 ZINC001448536327 1066936741 /nfs/dbraw/zinc/93/67/41/1066936741.db2.gz DESVNSHEONDLEV-OAQYLSRUSA-N 0 0 456.587 4.516 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1(F)F ZINC001448536482 1066936769 /nfs/dbraw/zinc/93/67/69/1066936769.db2.gz FAVNDFMUTVASHU-UHOFOFEASA-N 0 0 477.321 4.658 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1(F)F ZINC001448536480 1066936781 /nfs/dbraw/zinc/93/67/81/1066936781.db2.gz FAVNDFMUTVASHU-DAXOMENPSA-N 0 0 477.321 4.658 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001457887966 1066936797 /nfs/dbraw/zinc/93/67/97/1066936797.db2.gz PNHLECZOFSDAFY-UHFFFAOYSA-N 0 0 452.668 4.878 20 0 JJADRN CSc1nccn1-c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001457887948 1066936821 /nfs/dbraw/zinc/93/68/21/1066936821.db2.gz XMZZVGAATUNXOH-FCHUYYIVSA-N 0 0 463.603 4.792 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CC[C@H](C)[C@@H](C)C2)s1 ZINC001492765402 1066936834 /nfs/dbraw/zinc/93/68/34/1066936834.db2.gz GDBCPNDXXXOOMC-GJZGRUSLSA-N 0 0 475.460 4.983 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC001492765454 1066936872 /nfs/dbraw/zinc/93/68/72/1066936872.db2.gz HPXNWJCIDIGNSK-PBHICJAKSA-N 0 0 492.491 4.854 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H]2CCC[C@H](C)C2)s1 ZINC001492765457 1066936923 /nfs/dbraw/zinc/93/69/23/1066936923.db2.gz HPXNWJCIDIGNSK-YOEHRIQHSA-N 0 0 492.491 4.854 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccn3)n2CCc2ccccc2C(F)(F)F)CCO1 ZINC001546094925 1066936861 /nfs/dbraw/zinc/93/68/61/1066936861.db2.gz BZJANGRBUWJXIT-HSZRJFAPSA-N 0 0 459.516 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC001457888509 1066936924 /nfs/dbraw/zinc/93/69/24/1066936924.db2.gz YDMZOJPFONLBME-CYBMUJFWSA-N 0 0 451.297 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC001457891265 1066937218 /nfs/dbraw/zinc/93/72/18/1066937218.db2.gz XMBBYWFIWHCRBK-LJQANCHMSA-N 0 0 453.313 4.858 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(Br)cc1Cl ZINC001457892499 1066937314 /nfs/dbraw/zinc/93/73/14/1066937314.db2.gz ICTFSKQBYGZFNK-HNNXBMFYSA-N 0 0 450.638 4.506 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492765547 1066937367 /nfs/dbraw/zinc/93/73/67/1066937367.db2.gz KBLUEDYDFKPJSW-QWHCGFSZSA-N 0 0 467.039 4.861 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)ccc1Br ZINC001448539524 1066937561 /nfs/dbraw/zinc/93/75/61/1066937561.db2.gz KKELPFATUYBQBJ-LEWJYISDSA-N 0 0 456.384 4.578 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)s1 ZINC001492765930 1066938090 /nfs/dbraw/zinc/93/80/90/1066938090.db2.gz WWZPVLUWDCFPEE-IUODEOHRSA-N 0 0 454.497 4.512 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NCc1ccc2c(n1)CCCC2)NC(=O)OC(C)(C)C ZINC001448545425 1066938252 /nfs/dbraw/zinc/93/82/52/1066938252.db2.gz CXEBPFDAQARYBV-JOCHJYFZSA-N 0 0 453.583 4.631 20 0 JJADRN CCCCCCn1nc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)OC)c2ccccc2c1=O ZINC001457898974 1066938438 /nfs/dbraw/zinc/93/84/38/1066938438.db2.gz BMQACLRRGLZZQH-UHFFFAOYSA-N 0 0 455.942 4.978 20 0 JJADRN O=C(NCC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1)OCc1ccccc1 ZINC001448551490 1066938793 /nfs/dbraw/zinc/93/87/93/1066938793.db2.gz OSKSGDRTVWEVPW-UHFFFAOYSA-N 0 0 456.542 4.696 20 0 JJADRN Cc1nnc(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)s1 ZINC001492766348 1066938969 /nfs/dbraw/zinc/93/89/69/1066938969.db2.gz JVLRZDZARABXGC-GOSISDBHSA-N 0 0 464.998 4.741 20 0 JJADRN O=C(NC(CCc1ccccc1)CCc1ccccc1)C1(n2cc(Br)cn2)CC1 ZINC001457902864 1066939289 /nfs/dbraw/zinc/93/92/89/1066939289.db2.gz VGCPCHWUEKKTGO-UHFFFAOYSA-N 0 0 452.396 4.885 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)s1 ZINC001492766745 1066939282 /nfs/dbraw/zinc/93/92/82/1066939282.db2.gz VOPFTXGFONYCEE-LJQANCHMSA-N 0 0 494.587 4.518 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492766871 1066939398 /nfs/dbraw/zinc/93/93/98/1066939398.db2.gz YKEJORQVWHGNGG-UHFFFAOYSA-N 0 0 474.059 4.716 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)s1 ZINC001492766753 1066939414 /nfs/dbraw/zinc/93/94/14/1066939414.db2.gz VTUBCAWIPIZJTF-MAUKXSAKSA-N 0 0 460.673 4.687 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492766572 1066939432 /nfs/dbraw/zinc/93/94/32/1066939432.db2.gz QBMCIZVQOGWLPT-UHFFFAOYSA-N 0 0 481.626 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H](CO)CC2CCCC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001448567654 1066939401 /nfs/dbraw/zinc/93/94/01/1066939401.db2.gz WBSFQWXYCUGKFC-QIJUGHKUSA-N 0 0 465.034 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N(CCc3ccccn3)Cc3ccncc3)c2C1 ZINC001448568656 1066939761 /nfs/dbraw/zinc/93/97/61/1066939761.db2.gz DZJNURRUYIXTKI-UHFFFAOYSA-N 0 0 458.562 4.612 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)c2nccs2)s1 ZINC001492767003 1066939856 /nfs/dbraw/zinc/93/98/56/1066939856.db2.gz CQNOBEDSTCSLKJ-KVSKMBFKSA-N 0 0 489.715 4.686 20 0 JJADRN Cc1nnc(CCCn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)s1 ZINC001492767083 1066939887 /nfs/dbraw/zinc/93/98/87/1066939887.db2.gz GCONKAJJMHZXCW-GOSISDBHSA-N 0 0 461.035 4.600 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Br)cc3)nnc2N(C)CC(C)C)s1 ZINC001492767259 1066940225 /nfs/dbraw/zinc/94/02/25/1066940225.db2.gz LJOPQECXBFKLCR-UHFFFAOYSA-N 0 0 479.448 4.505 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(Cl)cc1I ZINC001448577625 1066940303 /nfs/dbraw/zinc/94/03/03/1066940303.db2.gz IVOGSHMQJZOVIJ-LLVKDONJSA-N 0 0 459.686 4.609 20 0 JJADRN CCOC(=O)c1cnc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)c(Cl)c1 ZINC001457912176 1066940447 /nfs/dbraw/zinc/94/04/47/1066940447.db2.gz SHBQAZFDVQJMSG-UHFFFAOYSA-N 0 0 455.736 4.930 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cc(C(C)=O)ccc3Cl)cc2)c1C ZINC001457912412 1066940641 /nfs/dbraw/zinc/94/06/41/1066940641.db2.gz IVXOCZVRWSPWCT-UHFFFAOYSA-N 0 0 453.926 4.703 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)s1 ZINC001492767456 1066940619 /nfs/dbraw/zinc/94/06/19/1066940619.db2.gz RMOWDABQUKESHL-UHFFFAOYSA-N 0 0 472.684 4.501 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(C)C)C1)Oc1ccccc1F ZINC001546008143 1066940708 /nfs/dbraw/zinc/94/07/08/1066940708.db2.gz LGGZJDZTPCJHSG-LEWJYISDSA-N 0 0 454.594 4.619 20 0 JJADRN O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc(F)c(Br)c(Cl)c1 ZINC001457914385 1066940885 /nfs/dbraw/zinc/94/08/85/1066940885.db2.gz RVEICHJOFCNOJL-UHFFFAOYSA-N 0 0 452.610 4.502 20 0 JJADRN O=C(Nc1ncc(Br)cc1I)c1cccc2ccsc21 ZINC001457915987 1066940908 /nfs/dbraw/zinc/94/09/08/1066940908.db2.gz REUZBTQNFNSLRT-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CCC(CC)[C@H](C(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1)N1CCOCC1 ZINC001448604785 1066941140 /nfs/dbraw/zinc/94/11/40/1066941140.db2.gz FBYNKJCNGXIQLY-HXUWFJFHSA-N 0 0 455.546 4.535 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2nnc(CC(F)(F)F)s2)nnc1-c1ccccc1 ZINC001457916514 1066941359 /nfs/dbraw/zinc/94/13/59/1066941359.db2.gz NCESONBRGPTJNR-NSHDSACASA-N 0 0 456.519 4.603 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001457917100 1066941443 /nfs/dbraw/zinc/94/14/43/1066941443.db2.gz NACLEDUYECQIOC-FQEVSTJZSA-N 0 0 455.558 4.861 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492767905 1066941459 /nfs/dbraw/zinc/94/14/59/1066941459.db2.gz GICYDTOURQSYBZ-HNAYVOBHSA-N 0 0 491.061 4.725 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1nnc(CC(F)(F)F)s1 ZINC001457920357 1066941834 /nfs/dbraw/zinc/94/18/34/1066941834.db2.gz UNXXYGWZBNEBML-UHFFFAOYSA-N 0 0 455.845 4.545 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001457921353 1066941943 /nfs/dbraw/zinc/94/19/43/1066941943.db2.gz ARUKURLBFVNQQZ-QAPCUYQASA-N 0 0 452.352 4.617 20 0 JJADRN Cc1ccccc1[C@H](C)CC(=O)Nc1ncc(Br)cc1I ZINC001457920538 1066941981 /nfs/dbraw/zinc/94/19/81/1066941981.db2.gz XREUWFVYDWZPRV-LLVKDONJSA-N 0 0 459.125 4.889 20 0 JJADRN O=C(Nc1ncc(F)cc1I)[C@H](OCC1CCCC1)c1ccccc1 ZINC001457920490 1066942014 /nfs/dbraw/zinc/94/20/14/1066942014.db2.gz VXAPPTQWSGGQEY-QGZVFWFLSA-N 0 0 454.283 4.712 20 0 JJADRN COc1ccccc1-c1nnc(CC(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)o1 ZINC001448611193 1066941966 /nfs/dbraw/zinc/94/19/66/1066941966.db2.gz VAJQKMXIDWAOET-UHFFFAOYSA-N 0 0 456.474 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)C1CCCC1 ZINC001448613739 1066942034 /nfs/dbraw/zinc/94/20/34/1066942034.db2.gz INNGIHPFHUAGLJ-JOCHJYFZSA-N 0 0 454.567 4.785 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2scnc2C)s1 ZINC001492768379 1066942239 /nfs/dbraw/zinc/94/22/39/1066942239.db2.gz VNZFMEBCTREAMC-AWEZNQCLSA-N 0 0 490.058 4.875 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448615208 1066942413 /nfs/dbraw/zinc/94/24/13/1066942413.db2.gz CGWUQIIMTVBDQF-UHFFFAOYSA-N 0 0 453.178 4.511 20 0 JJADRN Cc1nnc(CCn2c(CC(C)C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)s1 ZINC001492768824 1066942628 /nfs/dbraw/zinc/94/26/28/1066942628.db2.gz IZFFSLPUGGTUOP-UHFFFAOYSA-N 0 0 468.671 4.867 20 0 JJADRN Cc1nnc(CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492768564 1066942748 /nfs/dbraw/zinc/94/27/48/1066942748.db2.gz BBQIYXXOIFAHDX-QFIPXVFZSA-N 0 0 489.089 4.873 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(O[C@H](C)c3ccccc3)ccn2)c1 ZINC001457932174 1066942795 /nfs/dbraw/zinc/94/27/95/1066942795.db2.gz KDLBKBVDGACERZ-GOSISDBHSA-N 0 0 453.564 4.504 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001448618373 1066942867 /nfs/dbraw/zinc/94/28/67/1066942867.db2.gz AZEOELBGAVMMRL-UHFFFAOYSA-N 0 0 450.739 4.710 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492770084 1066943126 /nfs/dbraw/zinc/94/31/26/1066943126.db2.gz LYBURKYUUGJAKS-OAHLLOKOSA-N 0 0 484.029 4.559 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)c(=O)[nH]c21 ZINC001448619050 1066943234 /nfs/dbraw/zinc/94/32/34/1066943234.db2.gz WSUZMGLLNXTEQW-FPLPWBNLSA-N 0 0 459.377 4.864 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Br)cc3)nnc2N2CCCC[C@@H](C)C2)s1 ZINC001492770298 1066943468 /nfs/dbraw/zinc/94/34/68/1066943468.db2.gz SANJZGYXZINZPN-OAHLLOKOSA-N 0 0 491.459 4.649 20 0 JJADRN O=C(COc1ccccc1Br)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001448619452 1066943497 /nfs/dbraw/zinc/94/34/97/1066943497.db2.gz HPHNTQLJIJNTKA-JOCQHMNTSA-N 0 0 457.137 4.792 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@H](C)CC[C@H]2C)s1 ZINC001492771080 1066943626 /nfs/dbraw/zinc/94/36/26/1066943626.db2.gz JJOCIGLTEXBQSL-VXGBXAGGSA-N 0 0 465.396 4.680 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001546095241 1066944179 /nfs/dbraw/zinc/94/41/79/1066944179.db2.gz JFRPAFMRLCNEHU-DVKBMCPXSA-N 0 0 462.585 4.604 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1ccncc1C(F)(F)F ZINC001448622083 1066944334 /nfs/dbraw/zinc/94/43/34/1066944334.db2.gz OOMXPYWRFWWYQJ-UHFFFAOYSA-N 0 0 454.246 4.767 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492771811 1066944335 /nfs/dbraw/zinc/94/43/35/1066944335.db2.gz MOBNVYLIRMFXDL-DLBZAZTESA-N 0 0 472.684 4.908 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492771815 1066944491 /nfs/dbraw/zinc/94/44/91/1066944491.db2.gz MOBNVYLIRMFXDL-SJORKVTESA-N 0 0 472.684 4.908 20 0 JJADRN Cc1nnc(Cn2c(-c3ccccc3Br)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492772397 1066944869 /nfs/dbraw/zinc/94/48/69/1066944869.db2.gz ZEQAYAWPCIJQOU-GFCCVEGCSA-N 0 0 459.373 4.706 20 0 JJADRN CC[C@@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2C[C@]1(C)CCC2)NC(=O)OC(C)(C)C ZINC001546008355 1066945297 /nfs/dbraw/zinc/94/52/97/1066945297.db2.gz PFBWXYYGYHIVFP-BUEREQSYSA-N 0 0 483.657 4.972 20 0 JJADRN CC(C)(C)[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(F)cc1F ZINC001457946373 1066945445 /nfs/dbraw/zinc/94/54/45/1066945445.db2.gz PSOWVURHDCDYKQ-OAQYLSRUSA-N 0 0 450.476 4.999 20 0 JJADRN Cc1noc(COc2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)cn2)n1 ZINC001457946752 1066945459 /nfs/dbraw/zinc/94/54/59/1066945459.db2.gz DYTAIEWNCGHEHD-JOCHJYFZSA-N 0 0 452.873 4.664 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457945698 1066945470 /nfs/dbraw/zinc/94/54/70/1066945470.db2.gz BVZJIDCPNUYWLD-HSZRJFAPSA-N 0 0 450.897 4.761 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(I)cn2)c(O[C@H](C)CC(C)C)c1 ZINC001457946465 1066945534 /nfs/dbraw/zinc/94/55/34/1066945534.db2.gz QUTLTTRYLGLQTM-OAHLLOKOSA-N 0 0 452.336 4.738 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F ZINC001457946804 1066945607 /nfs/dbraw/zinc/94/56/07/1066945607.db2.gz IULMYMZUTUFFJK-FQEVSTJZSA-N 0 0 451.281 4.751 20 0 JJADRN O=C(CCc1nc(-c2ccco2)no1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001457947884 1066945922 /nfs/dbraw/zinc/94/59/22/1066945922.db2.gz UGEWDAQWEVHRLL-UHFFFAOYSA-N 0 0 456.424 4.905 20 0 JJADRN CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC001457948049 1066945945 /nfs/dbraw/zinc/94/59/45/1066945945.db2.gz MKQHANLSRUZRGM-UHFFFAOYSA-N 0 0 457.372 4.837 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001457946956 1066945989 /nfs/dbraw/zinc/94/59/89/1066945989.db2.gz FPPAZKVDIUTKMZ-IBGZPJMESA-N 0 0 453.869 4.995 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001546008367 1066946019 /nfs/dbraw/zinc/94/60/19/1066946019.db2.gz POSSQPUCSYGNDX-NRFANRHFSA-N 0 0 466.630 4.821 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001448639135 1066946264 /nfs/dbraw/zinc/94/62/64/1066946264.db2.gz YXLDEZJTOVVDAV-ZDUSSCGKSA-N 0 0 459.395 4.640 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c2ccccc12 ZINC001457948587 1066946303 /nfs/dbraw/zinc/94/63/03/1066946303.db2.gz LSTUGRSGKLYRBB-HXUWFJFHSA-N 0 0 458.555 4.660 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)C3([C@@H](C)NC(=O)OC(C)(C)C)CCOCC3)c2)cc1 ZINC001457948700 1066946319 /nfs/dbraw/zinc/94/63/19/1066946319.db2.gz DZMIYWRFMRTVHE-HXUWFJFHSA-N 0 0 452.595 4.988 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1Cc1ccccc1Br ZINC001492776248 1066946454 /nfs/dbraw/zinc/94/64/54/1066946454.db2.gz VDLJERJMYLBXGF-DFNIBXOVSA-N 0 0 490.446 4.764 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCCc1ccccc1F ZINC001492776080 1066946569 /nfs/dbraw/zinc/94/65/69/1066946569.db2.gz QAYDIZJIHLVBMR-WCRBZPEASA-N 0 0 457.594 4.725 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c2ccccc12 ZINC001457950715 1066946710 /nfs/dbraw/zinc/94/67/10/1066946710.db2.gz SKZYYFVQXVBVEC-UHFFFAOYSA-N 0 0 455.514 4.772 20 0 JJADRN Cc1ccc(CNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(O[C@H](C)CC(C)C)c1 ZINC001457951214 1066946720 /nfs/dbraw/zinc/94/67/20/1066946720.db2.gz YURCAMSCYVDNAH-DVECYGJZSA-N 0 0 450.579 4.745 20 0 JJADRN Cc1cc([C@@H](CC(=O)N[C@H]2CCOC3(CCCC3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457954062 1066947515 /nfs/dbraw/zinc/94/75/15/1066947515.db2.gz MSLDIFPLFSFTNC-ZWKOTPCHSA-N 0 0 451.995 4.607 20 0 JJADRN COc1ccccc1N1C[C@H](C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1=O ZINC001457954363 1066947963 /nfs/dbraw/zinc/94/79/63/1066947963.db2.gz ZLNWAVGHJWOFHW-HOYKHHGWSA-N 0 0 452.913 4.746 20 0 JJADRN CCCc1c(NC(=O)c2ccc(Cn3ccnc3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448671434 1066948075 /nfs/dbraw/zinc/94/80/75/1066948075.db2.gz GFQUETZXBTYULJ-UHFFFAOYSA-N 0 0 451.477 4.609 20 0 JJADRN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001448672341 1066948171 /nfs/dbraw/zinc/94/81/71/1066948171.db2.gz KKVMTRZJBSGOMN-KRWDZBQOSA-N 0 0 455.555 4.515 20 0 JJADRN CCCc1c(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448672305 1066948279 /nfs/dbraw/zinc/94/82/79/1066948279.db2.gz HWKWIGFCYUMKSB-KRWDZBQOSA-N 0 0 457.477 4.532 20 0 JJADRN COc1cccc(N(CC(=O)Nc2cnc(Oc3ccccc3)nc2)C(=O)OC(C)(C)C)c1 ZINC001457957440 1066948471 /nfs/dbraw/zinc/94/84/71/1066948471.db2.gz HBRNOPOVRIHMTH-UHFFFAOYSA-N 0 0 450.495 4.658 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001448676588 1066949050 /nfs/dbraw/zinc/94/90/50/1066949050.db2.gz UYNWVQGDBJIDTC-SFHVURJKSA-N 0 0 456.505 4.521 20 0 JJADRN COCCc1noc(CN(C)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1 ZINC001457962465 1066949059 /nfs/dbraw/zinc/94/90/59/1066949059.db2.gz BYBWPHWEXRGKCC-UHFFFAOYSA-N 0 0 453.326 4.616 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C1CCCC1)Oc1cccc(F)c1 ZINC001546008859 1066949487 /nfs/dbraw/zinc/94/94/87/1066949487.db2.gz YFPPRPWPXWZOOY-JOCHJYFZSA-N 0 0 454.594 4.905 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N3CCC34CCN(C(=O)OC(C)(C)C)CC4)c2)n1 ZINC001448676826 1066949656 /nfs/dbraw/zinc/94/96/56/1066949656.db2.gz UVNFLQTYMLJEIT-UHFFFAOYSA-N 0 0 456.612 4.679 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC001448678373 1066949971 /nfs/dbraw/zinc/94/99/71/1066949971.db2.gz MVYOIFHNTPYEJY-NSHDSACASA-N 0 0 457.321 4.936 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N[C@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)cc2)n1 ZINC001448679584 1066949989 /nfs/dbraw/zinc/94/99/89/1066949989.db2.gz OCIHAKVZQQTMJX-OAHLLOKOSA-N 0 0 450.593 4.723 20 0 JJADRN Cc1nnc(N(Cc2ccco2)Cc2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492788716 1066950062 /nfs/dbraw/zinc/95/00/62/1066950062.db2.gz AAERKUAXDIQBHF-IBGZPJMESA-N 0 0 453.587 4.889 20 0 JJADRN Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492789617 1066950082 /nfs/dbraw/zinc/95/00/82/1066950082.db2.gz DLVFKZJCNHDOHS-LJQANCHMSA-N 0 0 466.529 4.975 20 0 JJADRN CCO[C@@H](CNC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001448682484 1066950383 /nfs/dbraw/zinc/95/03/83/1066950383.db2.gz MDFKAGNGWIAISM-GMAHTHKFSA-N 0 0 452.551 4.763 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001492790595 1066950435 /nfs/dbraw/zinc/95/04/35/1066950435.db2.gz LEEWQLKRDSXLMC-UHFFFAOYSA-N 0 0 490.452 4.581 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 ZINC001546008898 1066950436 /nfs/dbraw/zinc/95/04/36/1066950436.db2.gz ZAJMKJKJYGTJLC-QFIPXVFZSA-N 0 0 450.631 4.727 20 0 JJADRN Cc1c2nc(NC(=O)CCOc3ccccc3I)sc2ccc1F ZINC001457978453 1066950552 /nfs/dbraw/zinc/95/05/52/1066950552.db2.gz GDJPSQOSBZLRJV-UHFFFAOYSA-N 0 0 456.280 4.756 20 0 JJADRN N[C@@](C(=O)N1CCc2cc(Br)c(Cl)cc21)(c1cccc(F)c1)C(F)(F)F ZINC001457976865 1066950590 /nfs/dbraw/zinc/95/05/90/1066950590.db2.gz XBEKVJLDVBZOOM-MRXNPFEDSA-N 0 0 451.645 4.547 20 0 JJADRN Cc1[nH]nc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1-c1ccc(Cl)cc1 ZINC001457978028 1066950775 /nfs/dbraw/zinc/95/07/75/1066950775.db2.gz CHMCFSMTGMMYDN-UHFFFAOYSA-N 0 0 450.882 4.901 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492797136 1066951402 /nfs/dbraw/zinc/95/14/02/1066951402.db2.gz UHQBGNCCSUBIED-UHFFFAOYSA-N 0 0 450.505 4.760 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1OC(C)C ZINC001492798411 1066951870 /nfs/dbraw/zinc/95/18/70/1066951870.db2.gz FZSLCQUIPVLBGR-GOSISDBHSA-N 0 0 457.619 4.552 20 0 JJADRN O=C(NCc1noc(-c2cccc(Br)c2)n1)/C(=C/c1ccccc1)C(F)(F)F ZINC001448689353 1066951851 /nfs/dbraw/zinc/95/18/51/1066951851.db2.gz VBVJGQIBGRNNAX-DHDCSXOGSA-N 0 0 452.230 4.761 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC001457984183 1066952053 /nfs/dbraw/zinc/95/20/53/1066952053.db2.gz YHHBUIDHWIQQST-ZDUSSCGKSA-N 0 0 459.340 4.654 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)NCCc2ccc(SC)cc2)cc1OC ZINC001448691026 1066952256 /nfs/dbraw/zinc/95/22/56/1066952256.db2.gz ZRLPBHQZSYLWOD-UHFFFAOYSA-N 0 0 450.560 4.651 20 0 JJADRN O=C(Nc1cc(F)c(Br)cc1F)c1ccc(I)c(F)c1 ZINC001457985070 1066952282 /nfs/dbraw/zinc/95/22/82/1066952282.db2.gz XIQLMNZOFABZTG-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCc1ccc(Cl)s1 ZINC001492799052 1066952674 /nfs/dbraw/zinc/95/26/74/1066952674.db2.gz TUFGXBQUQCUXCA-AWEZNQCLSA-N 0 0 454.040 4.674 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC001457987949 1066952817 /nfs/dbraw/zinc/95/28/17/1066952817.db2.gz GNOFQQPJNBSBDJ-RUZDIDTESA-N 0 0 452.982 4.510 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC001448719375 1066953097 /nfs/dbraw/zinc/95/30/97/1066953097.db2.gz LTCKLIJAHAXDCO-GVAUOCQISA-N 0 0 455.620 4.515 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001492799969 1066953033 /nfs/dbraw/zinc/95/30/33/1066953033.db2.gz SYHQBFSLKLEZGR-MRXNPFEDSA-N 0 0 464.010 4.591 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001492799617 1066953054 /nfs/dbraw/zinc/95/30/54/1066953054.db2.gz JEOBTPSMYAQLGX-UHFFFAOYSA-N 0 0 478.597 4.706 20 0 JJADRN Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492804559 1066953367 /nfs/dbraw/zinc/95/33/67/1066953367.db2.gz KIBYKCUHSKILDA-GGAORHGYSA-N 0 0 471.621 4.974 20 0 JJADRN O=C(c1nc(Br)ccc1F)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448719892 1066953396 /nfs/dbraw/zinc/95/33/96/1066953396.db2.gz HHGSNTDJIYPRFT-UHFFFAOYSA-N 0 0 455.327 4.774 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448722034 1066953463 /nfs/dbraw/zinc/95/34/63/1066953463.db2.gz PLNVFUTZPBERAE-HSZRJFAPSA-N 0 0 452.595 4.713 20 0 JJADRN CCc1onc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001457991797 1066953605 /nfs/dbraw/zinc/95/36/05/1066953605.db2.gz KXXJOIKNJIDLAJ-UHFFFAOYSA-N 0 0 457.943 4.829 20 0 JJADRN O=C(CCNC(=O)c1ccc(F)cc1)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001457990562 1066953773 /nfs/dbraw/zinc/95/37/73/1066953773.db2.gz GKDKSSOPSPTEEG-UHFFFAOYSA-N 0 0 456.562 4.742 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)n[nH]2)c1C ZINC001448730081 1066954920 /nfs/dbraw/zinc/95/49/20/1066954920.db2.gz ATAJCOUFHIEYIV-GFCCVEGCSA-N 0 0 453.497 4.792 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001492820544 1066954905 /nfs/dbraw/zinc/95/49/05/1066954905.db2.gz KFIHOMHCLOQFCX-UHFFFAOYSA-N 0 0 473.662 4.718 20 0 JJADRN Cc1nnc(N2CCc3ccc(Br)cc3C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492834065 1066955276 /nfs/dbraw/zinc/95/52/76/1066955276.db2.gz BYTKSGTVLQDIOD-UHFFFAOYSA-N 0 0 466.305 4.568 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(-c4ncco4)cc3)ccc2Cl)C1 ZINC001457999887 1066955374 /nfs/dbraw/zinc/95/53/74/1066955374.db2.gz NSKGBZPRWUAAAR-OAHLLOKOSA-N 0 0 459.955 4.668 20 0 JJADRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001458002950 1066955692 /nfs/dbraw/zinc/95/56/92/1066955692.db2.gz OFMMAASRYZHZTO-WUUXGELPSA-N 0 0 451.013 4.545 20 0 JJADRN C[C@](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)(c1ccccc1)C(F)(F)F ZINC001458002129 1066955711 /nfs/dbraw/zinc/95/57/11/1066955711.db2.gz KLKXGDAVSIGXAX-DEOSSOPVSA-N 0 0 451.448 4.652 20 0 JJADRN C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cn1 ZINC001448753875 1066955829 /nfs/dbraw/zinc/95/58/29/1066955829.db2.gz POFAYPUNBXRFHN-VIFPVBQESA-N 0 0 451.674 4.591 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001492837218 1066955886 /nfs/dbraw/zinc/95/58/86/1066955886.db2.gz FQAZCKHUFODCPR-MJGOQNOKSA-N 0 0 459.610 4.833 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001448771588 1066956141 /nfs/dbraw/zinc/95/61/41/1066956141.db2.gz INBQQQQIVDPIQT-AWEZNQCLSA-N 0 0 451.354 4.616 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001492839028 1066956195 /nfs/dbraw/zinc/95/61/95/1066956195.db2.gz RIAHXJUTJZOYMP-QFBILLFUSA-N 0 0 470.593 4.579 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ncc(C(F)(F)F)s1 ZINC001448774313 1066956616 /nfs/dbraw/zinc/95/66/16/1066956616.db2.gz MLLANYUDSMGZKL-VIFPVBQESA-N 0 0 454.255 4.518 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492839464 1066956705 /nfs/dbraw/zinc/95/67/05/1066956705.db2.gz UJWXTAJYDKNMRS-ZBFHGGJFSA-N 0 0 485.526 4.922 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)CC2)c1 ZINC001448781254 1066957003 /nfs/dbraw/zinc/95/70/03/1066957003.db2.gz VUYVBXWIUJPMQY-UHFFFAOYSA-N 0 0 458.558 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC001448779038 1066957037 /nfs/dbraw/zinc/95/70/37/1066957037.db2.gz NSTLUUFOLOVXHA-QKFKETGDSA-N 0 0 478.376 4.877 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C(C)(C)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001448778152 1066957162 /nfs/dbraw/zinc/95/71/62/1066957162.db2.gz QSYRRQGQJNUABY-OAQYLSRUSA-N 0 0 450.406 4.958 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458014996 1066957238 /nfs/dbraw/zinc/95/72/38/1066957238.db2.gz XEAWZSCLGBNBRV-UHFFFAOYSA-N 0 0 453.329 4.752 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)NC(=O)OC(C)(C)C ZINC001448783862 1066957514 /nfs/dbraw/zinc/95/75/14/1066957514.db2.gz GPWMGCDGJARJMS-SFHVURJKSA-N 0 0 454.011 4.682 20 0 JJADRN CCC1(CC)CCC(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001448785788 1066957578 /nfs/dbraw/zinc/95/75/78/1066957578.db2.gz DWUQHXUVSRADSO-NRFANRHFSA-N 0 0 457.615 4.943 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)cc2)n1 ZINC001448782812 1066957695 /nfs/dbraw/zinc/95/76/95/1066957695.db2.gz CTPRDYONGLCCDE-XMMPIXPASA-N 0 0 450.564 4.726 20 0 JJADRN CN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1cccc2c1CCCN2 ZINC001448790975 1066957925 /nfs/dbraw/zinc/95/79/25/1066957925.db2.gz ADVGTBRVAYXUDC-UHFFFAOYSA-N 0 0 456.612 4.892 20 0 JJADRN CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001448786647 1066957935 /nfs/dbraw/zinc/95/79/35/1066957935.db2.gz PVLDTSSISRSZQY-UHFFFAOYSA-N 0 0 455.649 4.771 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC(c3cccnc3)CC2)cc1 ZINC001458024074 1066958017 /nfs/dbraw/zinc/95/80/17/1066958017.db2.gz ZQBJVNINJKXBBZ-UHFFFAOYSA-N 0 0 452.601 4.656 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cs1 ZINC001448788666 1066958092 /nfs/dbraw/zinc/95/80/92/1066958092.db2.gz UCHRFLRKVJAXKN-UHFFFAOYSA-N 0 0 451.036 4.534 20 0 JJADRN Cc1cc(C)cc(N(CCC(=O)N2CC(C)(C)C2)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC001448801901 1066958549 /nfs/dbraw/zinc/95/85/49/1066958549.db2.gz YQIBAQJUSCORNV-UHFFFAOYSA-N 0 0 450.604 4.910 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001448802099 1066958563 /nfs/dbraw/zinc/95/85/63/1066958563.db2.gz ZPXMFTQHFNMVED-GFCCVEGCSA-N 0 0 457.329 4.976 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001492851519 1066958608 /nfs/dbraw/zinc/95/86/08/1066958608.db2.gz FHYLMMAYILXKEL-PMACEKPBSA-N 0 0 475.584 4.788 20 0 JJADRN CCNC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc2ccccc21 ZINC001458033841 1066958580 /nfs/dbraw/zinc/95/85/80/1066958580.db2.gz PAESXNAYCUDDSG-UHFFFAOYSA-N 0 0 450.951 4.943 20 0 JJADRN CCS(=O)(=O)NCc1ccc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)cc1 ZINC001546009776 1066959061 /nfs/dbraw/zinc/95/90/61/1066959061.db2.gz YXZDGYHNTWVRQC-UHFFFAOYSA-N 0 0 456.652 4.665 20 0 JJADRN Cc1nnc(N2CCC[C@@H]2Cc2cccs2)n1Cc1ccc(I)cc1 ZINC001492881200 1066959254 /nfs/dbraw/zinc/95/92/54/1066959254.db2.gz MAAFCZOBIYASMJ-QGZVFWFLSA-N 0 0 464.376 4.512 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CC2)c1 ZINC001458042451 1066959390 /nfs/dbraw/zinc/95/93/90/1066959390.db2.gz OBDFWTXPFCCCNZ-FQEVSTJZSA-N 0 0 453.380 4.735 20 0 JJADRN O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001448825505 1066959896 /nfs/dbraw/zinc/95/98/96/1066959896.db2.gz ZLPBOOMFHCMUOY-GOSISDBHSA-N 0 0 459.771 4.771 20 0 JJADRN CCC(=O)N[C@@H](C)C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001458043549 1066959883 /nfs/dbraw/zinc/95/98/83/1066959883.db2.gz RSHRZXYZYJEWEA-ZDUSSCGKSA-N 0 0 457.290 4.916 20 0 JJADRN Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@H]1CCCSC1 ZINC001492901906 1066959892 /nfs/dbraw/zinc/95/98/92/1066959892.db2.gz OGOFPFAKRFAHCS-HNNXBMFYSA-N 0 0 459.969 4.729 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC001458045074 1066959983 /nfs/dbraw/zinc/95/99/83/1066959983.db2.gz IPRGELJWQMWVBI-UHFFFAOYSA-N 0 0 454.368 4.512 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001458045978 1066960290 /nfs/dbraw/zinc/96/02/90/1066960290.db2.gz UAIWQIDCTJNQHR-CTNGQTDRSA-N 0 0 453.526 4.505 20 0 JJADRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N(c1ccccc1)c1ncccc1Br ZINC001458047396 1066960669 /nfs/dbraw/zinc/96/06/69/1066960669.db2.gz TUJOAJRIJAVDRV-UHFFFAOYSA-N 0 0 457.328 4.511 20 0 JJADRN CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC001458046603 1066960828 /nfs/dbraw/zinc/96/08/28/1066960828.db2.gz OUIBZCJRMAVDMO-LJQANCHMSA-N 0 0 456.533 4.721 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448835712 1066961179 /nfs/dbraw/zinc/96/11/79/1066961179.db2.gz DDXVYAJZLLWINW-FMKPAKJESA-N 0 0 457.384 4.671 20 0 JJADRN O=C(N1CCOc2c(Br)cccc2C1)C1(c2ccccc2Cl)CCOCC1 ZINC001448837421 1066961574 /nfs/dbraw/zinc/96/15/74/1066961574.db2.gz YKPOOUUCTLFXLI-UHFFFAOYSA-N 0 0 450.760 4.572 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)Oc1cc(Br)ccc1Cl ZINC001458052370 1066961707 /nfs/dbraw/zinc/96/17/07/1066961707.db2.gz TVWDAMYGQGPANI-ZZXKWVIFSA-N 0 0 453.457 4.919 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492948346 1066961848 /nfs/dbraw/zinc/96/18/48/1066961848.db2.gz JKZMGDOOMGBEIU-SJORKVTESA-N 0 0 482.050 4.526 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492955883 1066962162 /nfs/dbraw/zinc/96/21/62/1066962162.db2.gz OJRJFTABUBJCOQ-SFHVURJKSA-N 0 0 495.571 4.908 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448842284 1066962476 /nfs/dbraw/zinc/96/24/76/1066962476.db2.gz KORYPWYVBQULCK-CHEXVVPLSA-N 0 0 453.583 4.941 20 0 JJADRN Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1 ZINC001492975943 1066962764 /nfs/dbraw/zinc/96/27/64/1066962764.db2.gz TXQWQMBGSNIXDD-FGZHOGPDSA-N 0 0 471.671 4.650 20 0 JJADRN C[C@H](NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458056167 1066963131 /nfs/dbraw/zinc/96/31/31/1066963131.db2.gz MSCAWDWIIUTFAV-FQEVSTJZSA-N 0 0 452.570 4.869 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001545696161 1066963174 /nfs/dbraw/zinc/96/31/74/1066963174.db2.gz LKEYZBGMFRMCCU-RBUKOAKNSA-N 0 0 464.614 4.777 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458057302 1066963597 /nfs/dbraw/zinc/96/35/97/1066963597.db2.gz RKMWVUCWYFABBK-MHECFPHRSA-N 0 0 452.551 4.523 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C)OC ZINC001546009971 1066963751 /nfs/dbraw/zinc/96/37/51/1066963751.db2.gz CBXAZNSEURETKH-SOLBZPMBSA-N 0 0 451.409 4.669 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)nn1-c1ccccc1C(F)(F)F ZINC001458059074 1066964009 /nfs/dbraw/zinc/96/40/09/1066964009.db2.gz UVYQPQPGLOJBLL-GFCCVEGCSA-N 0 0 453.823 4.843 20 0 JJADRN O=C(NCCc1csc(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1Br ZINC001545700515 1066964310 /nfs/dbraw/zinc/96/43/10/1066964310.db2.gz REPNXCJACILKAR-UHFFFAOYSA-N 0 0 453.365 4.731 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCCCC2)C1 ZINC001545701554 1066964407 /nfs/dbraw/zinc/96/44/07/1066964407.db2.gz MCFDPEWGMVBAKB-GOSISDBHSA-N 0 0 491.652 4.708 20 0 JJADRN COC(=O)Nc1cc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1F ZINC001448851710 1066964405 /nfs/dbraw/zinc/96/44/05/1066964405.db2.gz VMYNUWMWGGFAKW-UHFFFAOYSA-N 0 0 459.518 4.561 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001545701966 1066964745 /nfs/dbraw/zinc/96/47/45/1066964745.db2.gz TWPTZLGJIKZYRL-MOPGFXCFSA-N 0 0 458.050 4.844 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001545701771 1066964805 /nfs/dbraw/zinc/96/48/05/1066964805.db2.gz PSUHDPDTPIDHFX-YLJYHZDGSA-N 0 0 455.990 4.762 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001448861906 1066964853 /nfs/dbraw/zinc/96/48/53/1066964853.db2.gz DCNOBCLGWGVQRH-GCJKJVERSA-N 0 0 458.002 4.939 20 0 JJADRN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001448855289 1066964886 /nfs/dbraw/zinc/96/48/86/1066964886.db2.gz HFWKFCAERFEKLK-INZIPBBXSA-N 0 0 454.617 4.966 20 0 JJADRN Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)[C@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 ZINC001545702735 1066965124 /nfs/dbraw/zinc/96/51/24/1066965124.db2.gz MIWXSBHYJXMPFD-MRXNPFEDSA-N 0 0 456.564 4.523 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)s2)cc1 ZINC001458065188 1066965399 /nfs/dbraw/zinc/96/53/99/1066965399.db2.gz QIWVMUMSUYETHV-DYESRHJHSA-N 0 0 450.560 4.907 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001545703682 1066965637 /nfs/dbraw/zinc/96/56/37/1066965637.db2.gz KPQTZGIAMOZILI-BEFAXECRSA-N 0 0 472.684 4.514 20 0 JJADRN CCN(C(=O)Cn1c(C)nc2ccccc2c1=O)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545703038 1066965648 /nfs/dbraw/zinc/96/56/48/1066965648.db2.gz XKGCFKDCGRQRBV-LJQANCHMSA-N 0 0 455.558 4.990 20 0 JJADRN Cc1cnccc1CCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001458065874 1066965803 /nfs/dbraw/zinc/96/58/03/1066965803.db2.gz CVRSUXPDJBXCCX-UHFFFAOYSA-N 0 0 459.806 4.553 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c1 ZINC001448869467 1066965840 /nfs/dbraw/zinc/96/58/40/1066965840.db2.gz HTQKDNKARTYSKY-UHFFFAOYSA-N 0 0 457.914 4.983 20 0 JJADRN O=C(NCC1(C(=O)NCc2sccc2Br)CCCC1)OCc1ccccc1 ZINC001448869460 1066965915 /nfs/dbraw/zinc/96/59/15/1066965915.db2.gz MZWLVSSWROCAAP-UHFFFAOYSA-N 0 0 451.386 4.614 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001545703811 1066966048 /nfs/dbraw/zinc/96/60/48/1066966048.db2.gz MSXFFHSOFSLZHK-HXUWFJFHSA-N 0 0 493.677 4.928 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001545704004 1066966059 /nfs/dbraw/zinc/96/60/59/1066966059.db2.gz QWYNXFUQUYNIEN-KRWDZBQOSA-N 0 0 465.564 4.971 20 0 JJADRN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001448868283 1066966046 /nfs/dbraw/zinc/96/60/46/1066966046.db2.gz FKFKDRRXDJFZAM-QHCPKHFHSA-N 0 0 457.933 4.688 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458069029 1066966630 /nfs/dbraw/zinc/96/66/30/1066966630.db2.gz MEYRWUGUQHLVTN-FZMZJTMJSA-N 0 0 453.255 4.846 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cnn1-c1ccccc1C ZINC001448889316 1066967096 /nfs/dbraw/zinc/96/70/96/1066967096.db2.gz JPXXQOUGKXEKJS-FQEVSTJZSA-N 0 0 453.384 4.968 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H]3CSc4ccc(Br)cc43)C2=O)cc1 ZINC001448885026 1066967227 /nfs/dbraw/zinc/96/72/27/1066967227.db2.gz KIWRORCWNYHQIQ-HKUYNNGSSA-N 0 0 459.409 4.889 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)c2)ccn1 ZINC001458071881 1066967344 /nfs/dbraw/zinc/96/73/44/1066967344.db2.gz PCWAKKLHMXBOQY-VQTJNVASSA-N 0 0 454.429 4.544 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001545706013 1066967473 /nfs/dbraw/zinc/96/74/73/1066967473.db2.gz KJGYKWLQRKEYJX-RTBURBONSA-N 0 0 481.563 4.557 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC)(CC)C1 ZINC001545706244 1066967646 /nfs/dbraw/zinc/96/76/46/1066967646.db2.gz OHGUAKGJBAITPQ-FQEVSTJZSA-N 0 0 450.631 4.602 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001545706354 1066967873 /nfs/dbraw/zinc/96/78/73/1066967873.db2.gz PVNAJTVJOWSUPJ-BBWFWOEESA-N 0 0 482.456 4.951 20 0 JJADRN C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001448893796 1066967868 /nfs/dbraw/zinc/96/78/68/1066967868.db2.gz ORRHECFLFMVGLF-CJNGLKHVSA-N 0 0 451.350 4.717 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001545706355 1066967955 /nfs/dbraw/zinc/96/79/55/1066967955.db2.gz PVNAJTVJOWSUPJ-IKGGRYGDSA-N 0 0 482.456 4.951 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001545706451 1066968009 /nfs/dbraw/zinc/96/80/09/1066968009.db2.gz RSARBDJPTVXATP-JIPXPUAJSA-N 0 0 499.725 4.927 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001448901901 1066968416 /nfs/dbraw/zinc/96/84/16/1066968416.db2.gz DJQCAXZPRIALGO-NZSAHSFTSA-N 0 0 455.382 4.656 20 0 JJADRN COC(=O)[C@H](NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc(Cl)c(F)c1 ZINC001458077920 1066968342 /nfs/dbraw/zinc/96/83/42/1066968342.db2.gz XDTBQGBYSMSJTC-HXUWFJFHSA-N 0 0 455.917 4.713 20 0 JJADRN Cc1c(C(=O)Nc2cnn(-c3ccccc3Br)c2)cnn1-c1ccc(F)cc1F ZINC001458077374 1066968433 /nfs/dbraw/zinc/96/84/33/1066968433.db2.gz OJAXCUMRFOWTAF-UHFFFAOYSA-N 0 0 458.266 4.659 20 0 JJADRN COc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1S(=O)(=O)N(C)C ZINC001458076623 1066968462 /nfs/dbraw/zinc/96/84/62/1066968462.db2.gz RYGLMGHPUFJCLA-UHFFFAOYSA-N 0 0 459.376 4.719 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001545706799 1066968699 /nfs/dbraw/zinc/96/86/99/1066968699.db2.gz YNWIGQWFACENDU-COPCDDAFSA-N 0 0 455.647 4.794 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC001448904583 1066968745 /nfs/dbraw/zinc/96/87/45/1066968745.db2.gz IMVFBOSXVRFUFY-YWPYICTPSA-N 0 0 450.404 4.748 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458078190 1066968918 /nfs/dbraw/zinc/96/89/18/1066968918.db2.gz SAFRETDHOXXMLO-XMSQKQJNSA-N 0 0 453.905 4.832 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001545708106 1066969020 /nfs/dbraw/zinc/96/90/20/1066969020.db2.gz CMKHNZGKYFKRAU-QKNQBKEWSA-N 0 0 495.659 4.907 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC(C)C)C1CCCC1 ZINC001545708234 1066969095 /nfs/dbraw/zinc/96/90/95/1066969095.db2.gz FKOTZBZYZLGEQV-KJXAQDMKSA-N 0 0 461.695 4.907 20 0 JJADRN O=C(CCCc1nc(-c2cccs2)no1)Nc1cnn(-c2ccccc2Br)c1 ZINC001458079332 1066969097 /nfs/dbraw/zinc/96/90/97/1066969097.db2.gz XBNQZGGUDIQWOR-UHFFFAOYSA-N 0 0 458.341 4.708 20 0 JJADRN C[C@H]1OCC[C@@]12CN(C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C[C@@H](C)O2 ZINC001448915433 1066969239 /nfs/dbraw/zinc/96/92/39/1066969239.db2.gz CBLZTEPZLCWMNG-RJUQKDBQSA-N 0 0 450.362 4.908 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001545709317 1066969745 /nfs/dbraw/zinc/96/97/45/1066969745.db2.gz ZNPACVUPEGESMG-MRXNPFEDSA-N 0 0 497.587 4.583 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1OC ZINC001448921166 1066970004 /nfs/dbraw/zinc/97/00/04/1066970004.db2.gz LACDMVJYDYYAIC-WMLDXEAASA-N 0 0 452.482 4.627 20 0 JJADRN CCc1c(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl ZINC001448919803 1066970014 /nfs/dbraw/zinc/97/00/14/1066970014.db2.gz ASDFFKWIIWXWBR-UHFFFAOYSA-N 0 0 453.926 4.851 20 0 JJADRN CCc1c(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448921253 1066970061 /nfs/dbraw/zinc/97/00/61/1066970061.db2.gz FCOKDPXDZOHVNC-SFHVURJKSA-N 0 0 459.472 4.500 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001545710613 1066970040 /nfs/dbraw/zinc/97/00/40/1066970040.db2.gz DNNDABAUTHQNOZ-HVCNVCAESA-N 0 0 494.728 4.683 20 0 JJADRN COc1ccc(-c2nnc(Sc3nc(C(F)(F)F)c(Br)s3)n2C)cc1 ZINC001458083664 1066970121 /nfs/dbraw/zinc/97/01/21/1066970121.db2.gz HUMGTSVHNXDEKY-UHFFFAOYSA-N 0 0 451.293 4.880 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C2CC2)ccc1F ZINC001458086454 1066970591 /nfs/dbraw/zinc/97/05/91/1066970591.db2.gz XEMJOMAFZUQNDG-NRFANRHFSA-N 0 0 452.979 4.698 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001545716335 1066970908 /nfs/dbraw/zinc/97/09/08/1066970908.db2.gz NQJIABHYGPCPGU-YADARESESA-N 0 0 450.485 4.623 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC001545716139 1066970919 /nfs/dbraw/zinc/97/09/19/1066970919.db2.gz ITARWKUAVAKVSB-RUZDIDTESA-N 0 0 456.542 4.758 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001458088838 1066971034 /nfs/dbraw/zinc/97/10/34/1066971034.db2.gz NDRICXDWGYOCJG-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001545716334 1066970967 /nfs/dbraw/zinc/97/09/67/1066970967.db2.gz NQJIABHYGPCPGU-NTKDMRAZSA-N 0 0 450.485 4.623 20 0 JJADRN Cc1cnc(CC(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)s1 ZINC001448930028 1066971087 /nfs/dbraw/zinc/97/10/87/1066971087.db2.gz GUEKHDRCOKRSFP-QGZVFWFLSA-N 0 0 455.443 4.560 20 0 JJADRN O=C([C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001448933625 1066971429 /nfs/dbraw/zinc/97/14/29/1066971429.db2.gz NMBHRQLRBIYWKM-IAGOWNOFSA-N 0 0 450.423 4.950 20 0 JJADRN O=C([C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001448933632 1066971486 /nfs/dbraw/zinc/97/14/86/1066971486.db2.gz NMBHRQLRBIYWKM-SJORKVTESA-N 0 0 450.423 4.950 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545716885 1066971767 /nfs/dbraw/zinc/97/17/67/1066971767.db2.gz BRNIJUOPKJYNAJ-WIYYLYMNSA-N 0 0 482.641 4.905 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C[C@H]1O ZINC001448936608 1066971793 /nfs/dbraw/zinc/97/17/93/1066971793.db2.gz RLLJQYUQHUJMMT-GOSISDBHSA-N 0 0 457.646 4.798 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)CCOCC1 ZINC001545716775 1066971858 /nfs/dbraw/zinc/97/18/58/1066971858.db2.gz ZCUSZJVEOFXGLR-QHCPKHFHSA-N 0 0 453.579 4.820 20 0 JJADRN O=C(c1conc1C1CC1)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001448934288 1066971860 /nfs/dbraw/zinc/97/18/60/1066971860.db2.gz NDTXNAYSWXOMIW-KRWDZBQOSA-N 0 0 451.386 4.731 20 0 JJADRN COCCNc1nc(CC(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)cs1 ZINC001448935737 1066971870 /nfs/dbraw/zinc/97/18/70/1066971870.db2.gz KIJJBQIXPIGJAI-HXUWFJFHSA-N 0 0 454.434 4.584 20 0 JJADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001448935327 1066971936 /nfs/dbraw/zinc/97/19/36/1066971936.db2.gz MJHGCVGJZFOTNA-AOBKZXEFSA-N 0 0 457.509 4.575 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H](C)CCSC)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545717497 1066972115 /nfs/dbraw/zinc/97/21/15/1066972115.db2.gz MJRDUJSTUBAZEJ-ICSRJNTNSA-N 0 0 455.676 4.793 20 0 JJADRN CC[C@H](NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1c(C)noc1C ZINC001458092681 1066972559 /nfs/dbraw/zinc/97/25/59/1066972559.db2.gz HDFINLSXBNCAQP-SFHVURJKSA-N 0 0 453.352 4.800 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](SC)C1)Oc1ccccc1F ZINC001546010712 1066972598 /nfs/dbraw/zinc/97/25/98/1066972598.db2.gz QIBIWVONLWVMHJ-SFTDATJTSA-N 0 0 486.661 4.858 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)cc2s1 ZINC001448943874 1066972717 /nfs/dbraw/zinc/97/27/17/1066972717.db2.gz YCBMMOWFCWNIIQ-LBPRGKRZSA-N 0 0 459.515 4.566 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)CC1)Oc1cccc(F)c1 ZINC001546010738 1066973149 /nfs/dbraw/zinc/97/31/49/1066973149.db2.gz QWCBXMVOOJTFOI-ICSRJNTNSA-N 0 0 485.629 4.893 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCC2)n1CCCn1cc(Br)cn1)c1ccccc1 ZINC001545719370 1066973238 /nfs/dbraw/zinc/97/32/38/1066973238.db2.gz FUQXZAWYSAPEDS-FQEVSTJZSA-N 0 0 457.420 4.858 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC001458094049 1066973301 /nfs/dbraw/zinc/97/33/01/1066973301.db2.gz JMEKBVSARIUORD-UHFFFAOYSA-N 0 0 454.292 4.813 20 0 JJADRN CC(C)c1c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccc1 ZINC001448959594 1066973260 /nfs/dbraw/zinc/97/32/60/1066973260.db2.gz ARWKZPQJMAUASV-GAJHUEQPSA-N 0 0 454.933 4.946 20 0 JJADRN Cc1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962736 1066973473 /nfs/dbraw/zinc/97/34/73/1066973473.db2.gz HKSBLWZNIGLLMH-SFHVURJKSA-N 0 0 456.344 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cn2)C1 ZINC001448962612 1066973638 /nfs/dbraw/zinc/97/36/38/1066973638.db2.gz GRFRQPILLXXNTE-COPCDDAFSA-N 0 0 456.562 4.660 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)o2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458096671 1066974201 /nfs/dbraw/zinc/97/42/01/1066974201.db2.gz STJLYYVYLBZEMG-OAHLLOKOSA-N 0 0 454.502 4.605 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)OC)c1ccccc1 ZINC001545720275 1066974299 /nfs/dbraw/zinc/97/42/99/1066974299.db2.gz UGVBMLDNUMYOBC-KNQAVFIVSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545720251 1066974393 /nfs/dbraw/zinc/97/43/93/1066974393.db2.gz TXAMOYHMJBXICH-HXUWFJFHSA-N 0 0 471.646 4.596 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1cccc(OCc2ccccc2)c1 ZINC001448969312 1066974469 /nfs/dbraw/zinc/97/44/69/1066974469.db2.gz WCGXLRGQDMTORJ-ABQRKTDGSA-N 0 0 450.579 4.946 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)COc3ccc(F)cc3Br)ccc2s1 ZINC001458097779 1066974679 /nfs/dbraw/zinc/97/46/79/1066974679.db2.gz UONANBUQLISWMJ-UHFFFAOYSA-N 0 0 452.301 4.997 20 0 JJADRN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001448979011 1066974874 /nfs/dbraw/zinc/97/48/74/1066974874.db2.gz XGRUQOSBYBVPDJ-UHFFFAOYSA-N 0 0 450.347 4.512 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)nc1I ZINC001458099961 1066974929 /nfs/dbraw/zinc/97/49/29/1066974929.db2.gz XWHBOLADFJNJCP-UHFFFAOYSA-N 0 0 454.333 4.982 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2cc(Cl)ncc2Br)C(F)(F)F)cc1 ZINC001458100254 1066975032 /nfs/dbraw/zinc/97/50/32/1066975032.db2.gz AOSZJNXUUWJWNZ-ZDUSSCGKSA-N 0 0 452.610 4.745 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545720464 1066975007 /nfs/dbraw/zinc/97/50/07/1066975007.db2.gz XNMLVMZMSPHNRS-MDNUFGMLSA-N 0 0 469.674 4.766 20 0 JJADRN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001448977533 1066975024 /nfs/dbraw/zinc/97/50/24/1066975024.db2.gz UYLHRRBQPXUUML-UHFFFAOYSA-N 0 0 458.543 4.646 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545720519 1066975221 /nfs/dbraw/zinc/97/52/21/1066975221.db2.gz YJCMUYHCVPXADF-GOTSBHOMSA-N 0 0 481.641 4.612 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCSC2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545720489 1066975267 /nfs/dbraw/zinc/97/52/67/1066975267.db2.gz XTZZALSUGVVOFR-WOJBJXKFSA-N 0 0 458.031 4.889 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N(C)c1ncccc1F ZINC001458102102 1066975847 /nfs/dbraw/zinc/97/58/47/1066975847.db2.gz MVNGQODBSHVUOE-ZDUSSCGKSA-N 0 0 454.552 4.883 20 0 JJADRN O=C(Nc1ccc(Br)c(Cl)c1)c1cnnn1-c1ccccc1Br ZINC001458101779 1066975879 /nfs/dbraw/zinc/97/58/79/1066975879.db2.gz LBIWPUFBSMTVKJ-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3ccnc(Oc4ccccc4F)c3)CCC[C@H]12 ZINC001448990965 1066975828 /nfs/dbraw/zinc/97/58/28/1066975828.db2.gz IZMTYGDQYPOPOM-NBGIEHNGSA-N 0 0 455.530 4.809 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n(-c2ccccc2)n1 ZINC001458101495 1066975897 /nfs/dbraw/zinc/97/58/97/1066975897.db2.gz FGYFFGDLIAJPDV-MGPUTAFESA-N 0 0 454.368 4.557 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545721642 1066976098 /nfs/dbraw/zinc/97/60/98/1066976098.db2.gz DIPTVAKALUUOEK-JXNPFXPLSA-N 0 0 482.698 4.917 20 0 JJADRN Cc1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c(Br)n1 ZINC001458102856 1066976105 /nfs/dbraw/zinc/97/61/05/1066976105.db2.gz NXECISZSFAGXDI-UHFFFAOYSA-N 0 0 455.081 4.961 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001458102893 1066976200 /nfs/dbraw/zinc/97/62/00/1066976200.db2.gz OFWFTNQNHAXJIT-GDBMZVCRSA-N 0 0 456.377 4.702 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC001449006354 1066976673 /nfs/dbraw/zinc/97/66/73/1066976673.db2.gz DKLHGIHABMKCNV-UHFFFAOYSA-N 0 0 453.583 4.928 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccco2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545722026 1066976888 /nfs/dbraw/zinc/97/68/88/1066976888.db2.gz MBWPAJBYLQGFHM-OAQYLSRUSA-N 0 0 453.587 4.916 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)c3nc(N)nc(C(F)(F)C(F)(F)F)n3)ccc21 ZINC001458104231 1066976905 /nfs/dbraw/zinc/97/69/05/1066976905.db2.gz CQYLRXTUWLQYLQ-UHFFFAOYSA-N 0 0 450.415 4.872 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n(-c2ccccc2)n1 ZINC001458104852 1066976948 /nfs/dbraw/zinc/97/69/48/1066976948.db2.gz NPIILVWCGHOAOE-MRXNPFEDSA-N 0 0 453.468 4.746 20 0 JJADRN Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c(Br)n1 ZINC001458104080 1066977001 /nfs/dbraw/zinc/97/70/01/1066977001.db2.gz XWRSJNJIHSPJTH-UHFFFAOYSA-N 0 0 457.777 4.531 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545722065 1066977354 /nfs/dbraw/zinc/97/73/54/1066977354.db2.gz MYKKALBIUVLURV-HSZRJFAPSA-N 0 0 476.625 4.718 20 0 JJADRN COC(=O)c1cnc(NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1C(F)(F)F ZINC001458106073 1066977259 /nfs/dbraw/zinc/97/72/59/1066977259.db2.gz DYTAHPPSANCXCQ-UHFFFAOYSA-N 0 0 457.452 4.738 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N(C)Cc2cc(C)cc(C)c2)cc1 ZINC001449013779 1066977372 /nfs/dbraw/zinc/97/73/72/1066977372.db2.gz PNQHIILSYBPGHE-UHFFFAOYSA-N 0 0 454.617 4.635 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(Br)cc2[nH]cnc21 ZINC001449017511 1066977456 /nfs/dbraw/zinc/97/74/56/1066977456.db2.gz RYXRHXRYGYRKCB-IINYFYTJSA-N 0 0 453.109 4.513 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001449025591 1066977878 /nfs/dbraw/zinc/97/78/78/1066977878.db2.gz BISGXLWRQPBSKZ-MRXNPFEDSA-N 0 0 450.318 4.758 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545722364 1066977829 /nfs/dbraw/zinc/97/78/29/1066977829.db2.gz SPMFVSDTUFOBSY-OAQYLSRUSA-N 0 0 494.043 4.934 20 0 JJADRN C[C@H](CO)N(Cc1ccccc1)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001449030935 1066978142 /nfs/dbraw/zinc/97/81/42/1066978142.db2.gz LGSSEOJYOBPQOU-JOCHJYFZSA-N 0 0 452.595 4.663 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001449033772 1066978210 /nfs/dbraw/zinc/97/82/10/1066978210.db2.gz WYBNDZWJTVFJJM-LLVKDONJSA-N 0 0 458.271 4.682 20 0 JJADRN CC(C)Cc1ncnc(Sc2nc3cc(Cl)ccc3n2C)c1I ZINC001458110716 1066978527 /nfs/dbraw/zinc/97/85/27/1066978527.db2.gz HXJFMNNCKSOXAW-UHFFFAOYSA-N 0 0 458.756 4.971 20 0 JJADRN CC(C)c1c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cnn1-c1ccccn1 ZINC001449038537 1066978697 /nfs/dbraw/zinc/97/86/97/1066978697.db2.gz ASTSAFZMKNFVNQ-UHFFFAOYSA-N 0 0 458.484 4.533 20 0 JJADRN O=C(CCCOc1ccccc1Br)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449039073 1066978735 /nfs/dbraw/zinc/97/87/35/1066978735.db2.gz DTMKUEDBMICKGP-UHFFFAOYSA-N 0 0 452.776 4.772 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(NCCOc3ccc(C(C)C)cc3)c2c1C ZINC001458111410 1066978881 /nfs/dbraw/zinc/97/88/81/1066978881.db2.gz JCULYOFTWHWKHI-UHFFFAOYSA-N 0 0 456.612 4.852 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(O)(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001449045291 1066979026 /nfs/dbraw/zinc/97/90/26/1066979026.db2.gz PHNUVGHAWYEMBL-HXUWFJFHSA-N 0 0 451.007 4.624 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)sc21 ZINC001449045257 1066979040 /nfs/dbraw/zinc/97/90/40/1066979040.db2.gz OZXRNMPJZIZQRJ-UHFFFAOYSA-N 0 0 459.440 4.715 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1C ZINC001449043152 1066979055 /nfs/dbraw/zinc/97/90/55/1066979055.db2.gz MQIMLAPBQFWRQP-UHFFFAOYSA-N 0 0 456.011 4.745 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)cc2c1 ZINC001545723033 1066979069 /nfs/dbraw/zinc/97/90/69/1066979069.db2.gz KBGIEQUNQWEPMB-SFHVURJKSA-N 0 0 457.596 4.769 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545723538 1066979144 /nfs/dbraw/zinc/97/91/44/1066979144.db2.gz BBJLFXWESMOTQN-WBVHZDCISA-N 0 0 468.652 4.918 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H](C)SC)c1ccccc1 ZINC001545723535 1066979226 /nfs/dbraw/zinc/97/92/26/1066979226.db2.gz BBJLFXWESMOTQN-DOTOQJQBSA-N 0 0 468.652 4.918 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)C(C)C ZINC001458112025 1066979345 /nfs/dbraw/zinc/97/93/45/1066979345.db2.gz MZTZKEHKUTXVLV-SFHVURJKSA-N 0 0 453.608 4.661 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cc(C)on2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545723779 1066979692 /nfs/dbraw/zinc/97/96/92/1066979692.db2.gz FSQHMHQERCWMED-NRFANRHFSA-N 0 0 489.567 4.584 20 0 JJADRN O=C(N1CCC(O)(c2ccccc2Cl)CC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001449049594 1066979882 /nfs/dbraw/zinc/97/98/82/1066979882.db2.gz VWSKDAJECGSGGI-UHFFFAOYSA-N 0 0 452.751 4.783 20 0 JJADRN CC(C)(C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001449050047 1066979894 /nfs/dbraw/zinc/97/98/94/1066979894.db2.gz ZCHIXUJRLZJBQS-DLBZAZTESA-N 0 0 466.466 4.615 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2nc3c(cccc3Br)s2)C1 ZINC001458115298 1066980234 /nfs/dbraw/zinc/98/02/34/1066980234.db2.gz XLPCGHAFNZLMPW-LLVKDONJSA-N 0 0 451.777 4.962 20 0 JJADRN Cn1cc(C(=O)NCCc2cc(Cl)ccc2Br)c(-c2cc(F)ccc2F)n1 ZINC001458116075 1066980250 /nfs/dbraw/zinc/98/02/50/1066980250.db2.gz IXUMRBYQXLSTPD-UHFFFAOYSA-N 0 0 454.702 4.754 20 0 JJADRN CCCOc1cccc(CCNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC001458115852 1066980389 /nfs/dbraw/zinc/98/03/89/1066980389.db2.gz PPDRGUIRAKKQBM-OYRHEFFESA-N 0 0 452.595 4.616 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001545724102 1066980275 /nfs/dbraw/zinc/98/02/75/1066980275.db2.gz LWSBQSMBRSGVRI-MRXNPFEDSA-N 0 0 490.559 4.601 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCC1CCC(OC)CC1)c1ccccc1 ZINC001545724157 1066980569 /nfs/dbraw/zinc/98/05/69/1066980569.db2.gz MQSHZJMDIQTAKU-AGWYQGIESA-N 0 0 481.685 4.720 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001449062318 1066980866 /nfs/dbraw/zinc/98/08/66/1066980866.db2.gz GOFFWZPGLNRRGS-NHCUHLMSSA-N 0 0 450.608 4.865 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N1Cc2ccccc2C1=O ZINC001458116936 1066980812 /nfs/dbraw/zinc/98/08/12/1066980812.db2.gz AMFUNOYSJKBTSW-CRAIPNDOSA-N 0 0 451.514 4.549 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nccs2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545724417 1066980904 /nfs/dbraw/zinc/98/09/04/1066980904.db2.gz QADFRZXVRKCEDA-FQEVSTJZSA-N 0 0 466.655 4.562 20 0 JJADRN CCc1c(C(=O)Nc2cnn(-c3ccccc3)c2C)cnn1-c1ccc(Br)cc1 ZINC001458119532 1066981030 /nfs/dbraw/zinc/98/10/30/1066981030.db2.gz CESCDPCKYVROOS-UHFFFAOYSA-N 0 0 450.340 4.944 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546097166 1066981126 /nfs/dbraw/zinc/98/11/26/1066981126.db2.gz DLXJMDXRTLPUDZ-CPJSRVTESA-N 0 0 463.667 4.565 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)CC1 ZINC001458120804 1066981147 /nfs/dbraw/zinc/98/11/47/1066981147.db2.gz SNZXTXNCEHZCIA-UHFFFAOYSA-N 0 0 451.621 4.827 20 0 JJADRN Cc1cc2cc(CNC(=O)c3cccc(NS(=O)(=O)c4ccc(C)c(F)c4)c3)ccc2[nH]1 ZINC001449071638 1066981155 /nfs/dbraw/zinc/98/11/55/1066981155.db2.gz FUKVVTSNTBGOQD-UHFFFAOYSA-N 0 0 451.523 4.655 20 0 JJADRN CC(C)(CNC(=O)C1(c2cncc(Br)c2)CC1)c1ccccc1Br ZINC001458119971 1066981238 /nfs/dbraw/zinc/98/12/38/1066981238.db2.gz IZZUSMQNCPJYME-UHFFFAOYSA-N 0 0 452.190 4.732 20 0 JJADRN Cc1cccc(OCCC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001546011368 1066981597 /nfs/dbraw/zinc/98/15/97/1066981597.db2.gz DTWVBOFMMXGVBS-UHFFFAOYSA-N 0 0 458.602 4.714 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CC(F)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545724713 1066981663 /nfs/dbraw/zinc/98/16/63/1066981663.db2.gz VXDNLEOQXSNYRK-FQUBMZHMSA-N 0 0 471.621 4.871 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CC(F)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545724714 1066981686 /nfs/dbraw/zinc/98/16/86/1066981686.db2.gz VXDNLEOQXSNYRK-UDJZJCJKSA-N 0 0 471.621 4.871 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545724789 1066981714 /nfs/dbraw/zinc/98/17/14/1066981714.db2.gz XAHXMGHRFQBHKL-AZSVPQILSA-N 0 0 466.626 4.943 20 0 JJADRN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl ZINC001449083753 1066981685 /nfs/dbraw/zinc/98/16/85/1066981685.db2.gz YGLCZRQTDMLCID-QGZVFWFLSA-N 0 0 452.942 4.694 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)cc1F ZINC001545725322 1066981887 /nfs/dbraw/zinc/98/18/87/1066981887.db2.gz PIPWQKHJUWYYEW-OAHLLOKOSA-N 0 0 453.518 4.904 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CC1(S(C)(=O)=O)CCC1)c1ccccc1 ZINC001545724794 1066981901 /nfs/dbraw/zinc/98/19/01/1066981901.db2.gz XBYBCIRWHUYZKT-QFIPXVFZSA-N 0 0 458.672 4.804 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 ZINC001545725067 1066981915 /nfs/dbraw/zinc/98/19/15/1066981915.db2.gz FZJKPGAVYYKSDZ-FRIYVGAWSA-N 0 0 450.670 4.902 20 0 JJADRN CC[C@]1(C(=O)Nc2cc(C)cc(I)c2)CCCN1C(=O)OC(C)(C)C ZINC001449098540 1066982354 /nfs/dbraw/zinc/98/23/54/1066982354.db2.gz KQBJJJKSJLZAIP-LJQANCHMSA-N 0 0 458.340 4.718 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCC(C)(C)c3ccccc3Br)CCC2=O)cc1C ZINC001458124275 1066982624 /nfs/dbraw/zinc/98/26/24/1066982624.db2.gz UHNKAWFLFUMWGY-GOSISDBHSA-N 0 0 457.412 4.903 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001458124156 1066982654 /nfs/dbraw/zinc/98/26/54/1066982654.db2.gz KDDJGLHHEHAIFK-HSZRJFAPSA-N 0 0 454.636 4.736 20 0 JJADRN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC001458124680 1066982719 /nfs/dbraw/zinc/98/27/19/1066982719.db2.gz UKYUWVBYHSHSPB-SJLPKXTDSA-N 0 0 456.917 4.843 20 0 JJADRN CC[C@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725976 1066982795 /nfs/dbraw/zinc/98/27/95/1066982795.db2.gz HFORPMRPGHNQAG-RDPSFJRHSA-N 0 0 494.684 4.776 20 0 JJADRN CC(C)(CNC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)c1ccccc1Br ZINC001458124946 1066982791 /nfs/dbraw/zinc/98/27/91/1066982791.db2.gz VSAYTWVPSDEWGI-UHFFFAOYSA-N 0 0 459.384 4.587 20 0 JJADRN CC[C@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726009 1066983016 /nfs/dbraw/zinc/98/30/16/1066983016.db2.gz HXHGPXQLCSTIQL-GOTSBHOMSA-N 0 0 488.698 4.573 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725953 1066983043 /nfs/dbraw/zinc/98/30/43/1066983043.db2.gz GVWIQUMJUXVEKO-ZFGGDYGUSA-N 0 0 465.642 4.624 20 0 JJADRN Cc1ccc([C@@H](CNc2nc(C(F)(F)F)c(Br)s2)N2CCOCC2)cc1 ZINC001458125111 1066983194 /nfs/dbraw/zinc/98/31/94/1066983194.db2.gz VBUUXFMWNHQKCL-CYBMUJFWSA-N 0 0 450.324 4.718 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(=O)NC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001545726565 1066983297 /nfs/dbraw/zinc/98/32/97/1066983297.db2.gz SFMGONFDNMXPRJ-IPMKNSEASA-N 0 0 451.537 4.686 20 0 JJADRN COc1ccccc1/C=C(\C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)c1ccccc1 ZINC001449120228 1066983637 /nfs/dbraw/zinc/98/36/37/1066983637.db2.gz MKUWMZDRYRWSOR-HKWRFOASSA-N 0 0 450.485 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)[C@@H]3COC[C@H]3c3ccccc3)s2)CC1 ZINC001449119028 1066983770 /nfs/dbraw/zinc/98/37/70/1066983770.db2.gz NFMWONABSSFTRF-RBUKOAKNSA-N 0 0 457.596 4.626 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)c1-c1ccccc1 ZINC001458128698 1066983983 /nfs/dbraw/zinc/98/39/83/1066983983.db2.gz XPEAORQGCWZPLE-UHFFFAOYSA-N 0 0 456.502 4.811 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC001546097265 1066984019 /nfs/dbraw/zinc/98/40/19/1066984019.db2.gz HICKXFSXAHKWRP-DYESRHJHSA-N 0 0 453.603 4.855 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC001546097267 1066984030 /nfs/dbraw/zinc/98/40/30/1066984030.db2.gz HICKXFSXAHKWRP-UTKZUKDTSA-N 0 0 453.603 4.855 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545727829 1066984566 /nfs/dbraw/zinc/98/45/66/1066984566.db2.gz ADSHREDEZGSEME-OFNKIYASSA-N 0 0 495.672 4.835 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCc2cccc(Br)c2C1 ZINC001545727605 1066984621 /nfs/dbraw/zinc/98/46/21/1066984621.db2.gz UPHWGEQHBFXBPG-VGOFRKELSA-N 0 0 451.405 4.807 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCc2cccc(Br)c2C1 ZINC001545727604 1066984788 /nfs/dbraw/zinc/98/47/88/1066984788.db2.gz UPHWGEQHBFXBPG-JTSKRJEESA-N 0 0 451.405 4.807 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001449134062 1066985053 /nfs/dbraw/zinc/98/50/53/1066985053.db2.gz NMYIHOJLKJZQTA-QHCPKHFHSA-N 0 0 455.599 4.869 20 0 JJADRN O=C(CCc1nc2cc(Cl)ccc2s1)N1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001449136108 1066985116 /nfs/dbraw/zinc/98/51/16/1066985116.db2.gz QJIKGTJMMJIOLB-QGZVFWFLSA-N 0 0 450.004 4.932 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC001458135661 1066985125 /nfs/dbraw/zinc/98/51/25/1066985125.db2.gz RFURFTUDAXGIME-UHFFFAOYSA-N 0 0 455.518 4.765 20 0 JJADRN O=C(/C=C\C1CCCCCC1)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001449149572 1066985400 /nfs/dbraw/zinc/98/54/00/1066985400.db2.gz HOEBCYGTFANPBK-QPIKWOFCSA-N 0 0 459.634 4.715 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545728258 1066985499 /nfs/dbraw/zinc/98/54/99/1066985499.db2.gz IQOUAIFBTGOFFZ-YPAWHYETSA-N 0 0 469.699 4.989 20 0 JJADRN O=C(CCc1cccc(C(F)(F)F)c1)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC001458138125 1066986012 /nfs/dbraw/zinc/98/60/12/1066986012.db2.gz DYHBBRWIXCAQOR-KRWDZBQOSA-N 0 0 451.489 4.891 20 0 JJADRN CC[C@H](c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545728532 1066986121 /nfs/dbraw/zinc/98/61/21/1066986121.db2.gz MXTVFRYWPOWIKQ-XZOQPEGZSA-N 0 0 450.631 4.784 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCc3ccccc3)n2Cc2ccsc2Br)CCO1 ZINC001546097437 1066986047 /nfs/dbraw/zinc/98/60/47/1066986047.db2.gz KOERAQFPZXTTQO-JOCHJYFZSA-N 0 0 475.456 4.941 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001449158412 1066986182 /nfs/dbraw/zinc/98/61/82/1066986182.db2.gz WZWGITVSMGEMTB-QGZVFWFLSA-N 0 0 459.413 4.916 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)cn2)cc1 ZINC001449158431 1066986207 /nfs/dbraw/zinc/98/62/07/1066986207.db2.gz KHPHTUBPGNCRSC-AREMUKBSSA-N 0 0 457.530 4.581 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC001449161540 1066986247 /nfs/dbraw/zinc/98/62/47/1066986247.db2.gz MBOQRBRFDWDHGQ-KRWDZBQOSA-N 0 0 459.974 4.952 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728699 1066986367 /nfs/dbraw/zinc/98/63/67/1066986367.db2.gz PUAVQHDFVCXMHF-AJSBUHFISA-N 0 0 458.672 4.802 20 0 JJADRN CN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)[C@H]1CCCc2c1cnn2C ZINC001458140708 1066986291 /nfs/dbraw/zinc/98/62/91/1066986291.db2.gz LAXFYWZIPQPFSY-QFIPXVFZSA-N 0 0 452.599 4.523 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc(I)c1C ZINC001458141875 1066986468 /nfs/dbraw/zinc/98/64/68/1066986468.db2.gz GSSPWVJKNGACFC-GOSISDBHSA-N 0 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CC(=O)c1cc(Br)ccc1OCC(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001458142773 1066986887 /nfs/dbraw/zinc/98/68/87/1066986887.db2.gz OJJANBFMNDWXNE-UHFFFAOYSA-N 0 0 456.218 4.564 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@H](c3ccncc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001449171308 1066987055 /nfs/dbraw/zinc/98/70/55/1066987055.db2.gz BRKFEBKQASPBCS-YDHSSHFGSA-N 0 0 457.977 4.968 20 0 JJADRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001545730320 1066987186 /nfs/dbraw/zinc/98/71/86/1066987186.db2.gz XHCYODVRLYURCB-CYBMUJFWSA-N 0 0 452.312 4.689 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001458143134 1066987093 /nfs/dbraw/zinc/98/70/93/1066987093.db2.gz PMMNMIRCKZYUPR-UHFFFAOYSA-N 0 0 451.470 4.697 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC001545730469 1066987473 /nfs/dbraw/zinc/98/74/73/1066987473.db2.gz AJJKRNDSWOXXAK-FUHWJXTLSA-N 0 0 472.527 4.741 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccnc(SC)c1)c1ccccc1 ZINC001545730483 1066987878 /nfs/dbraw/zinc/98/78/78/1066987878.db2.gz AQAALLDGARWVFD-GHTZIAJQSA-N 0 0 451.640 4.989 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC001545730470 1066987937 /nfs/dbraw/zinc/98/79/37/1066987937.db2.gz AJJKRNDSWOXXAK-WMZOPIPTSA-N 0 0 472.527 4.741 20 0 JJADRN C[C@@]1(C(=O)N2CCCN(c3ccccc3Cl)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001449176932 1066987993 /nfs/dbraw/zinc/98/79/93/1066987993.db2.gz LRWPNGITFLLYHG-QFIPXVFZSA-N 0 0 450.341 4.755 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 ZINC001458147010 1066987964 /nfs/dbraw/zinc/98/79/64/1066987964.db2.gz HSDVZERAIYCQTK-CQSZACIVSA-N 0 0 451.382 4.958 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545730586 1066988178 /nfs/dbraw/zinc/98/81/78/1066988178.db2.gz CACAPSLVCOPFLU-LADGPHEKSA-N 0 0 470.658 4.800 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC001458148386 1066988208 /nfs/dbraw/zinc/98/82/08/1066988208.db2.gz KINCONGTJLDNMD-CQSZACIVSA-N 0 0 459.333 4.608 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545730652 1066988383 /nfs/dbraw/zinc/98/83/83/1066988383.db2.gz DFUUZAYKFVCUKD-WSTZPKSXSA-N 0 0 455.603 4.763 20 0 JJADRN C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)Nc1ncccc1O ZINC001449191712 1066988367 /nfs/dbraw/zinc/98/83/67/1066988367.db2.gz MKSQOCZVKGOPNK-GJZGRUSLSA-N 0 0 457.452 4.866 20 0 JJADRN C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@H](C)C(=O)Nc1ncccc1O ZINC001449187372 1066988542 /nfs/dbraw/zinc/98/85/42/1066988542.db2.gz HBCDGSUGGKNCND-INXSZFJKSA-N 0 0 455.967 4.962 20 0 JJADRN Nc1nc(Cl)cc(N[C@@H](c2ccc(F)cc2)c2ccccc2I)n1 ZINC001458149805 1066988636 /nfs/dbraw/zinc/98/86/36/1066988636.db2.gz FGPXZZGQEOKGTC-INIZCTEOSA-N 0 0 454.674 4.657 20 0 JJADRN Nc1nc(Cl)cc(N[C@H](c2ccc(F)cc2)c2ccccc2I)n1 ZINC001458149808 1066988813 /nfs/dbraw/zinc/98/88/13/1066988813.db2.gz FGPXZZGQEOKGTC-MRXNPFEDSA-N 0 0 454.674 4.657 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc(N3CCCCCC3)cc2C)cc1 ZINC001449202773 1066988944 /nfs/dbraw/zinc/98/89/44/1066988944.db2.gz AJPUTFLEQOLWAZ-UHFFFAOYSA-N 0 0 451.596 4.570 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3c(Cl)cccc3Cl)cc2)C1 ZINC001458152123 1066989075 /nfs/dbraw/zinc/98/90/75/1066989075.db2.gz YHPLRORFVUKXLC-GJZGRUSLSA-N 0 0 455.407 4.937 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545731032 1066989237 /nfs/dbraw/zinc/98/92/37/1066989237.db2.gz JDHCSIJQSMULJE-IEBWSBKVSA-N 0 0 488.558 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545731016 1066989266 /nfs/dbraw/zinc/98/92/66/1066989266.db2.gz IWOLBLCFYVUXST-QNXIHNPRSA-N 0 0 466.626 4.941 20 0 JJADRN C[C@@H](C(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)[C@@H]1OCCc2sccc21 ZINC001449206702 1066989197 /nfs/dbraw/zinc/98/91/97/1066989197.db2.gz BSXBELFJWNQARZ-UTKZUKDTSA-N 0 0 450.645 4.932 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151384 1066989293 /nfs/dbraw/zinc/98/92/93/1066989293.db2.gz DQNYYODBRDRMFM-KKSFZXQISA-N 0 0 451.945 4.931 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(Oc2ccccc2OC)cn1 ZINC001458151066 1066989330 /nfs/dbraw/zinc/98/93/30/1066989330.db2.gz CQXZHKPKKVALKR-UHFFFAOYSA-N 0 0 457.324 4.926 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731108 1066989522 /nfs/dbraw/zinc/98/95/22/1066989522.db2.gz JVVBHXHETCQQGI-ZVDOUQERSA-N 0 0 471.646 4.737 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731066 1066989595 /nfs/dbraw/zinc/98/95/95/1066989595.db2.gz JLHZLZSEZNBFCX-HMXCVIKNSA-N 0 0 479.591 4.565 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731101 1066989614 /nfs/dbraw/zinc/98/96/14/1066989614.db2.gz JURXDCTVCSFWNS-CEWLAPEOSA-N 0 0 488.558 4.873 20 0 JJADRN CCc1cccnc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001458153765 1066989637 /nfs/dbraw/zinc/98/96/37/1066989637.db2.gz CMEQUOWGBXDVIW-UHFFFAOYSA-N 0 0 453.955 4.928 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001449211746 1066989778 /nfs/dbraw/zinc/98/97/78/1066989778.db2.gz OWKBKVIHWOVMNW-LJQANCHMSA-N 0 0 451.007 4.825 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731171 1066989989 /nfs/dbraw/zinc/98/99/89/1066989989.db2.gz KYIFGUJEVKVSPO-RTWAWAEBSA-N 0 0 470.017 4.809 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731166 1066990200 /nfs/dbraw/zinc/99/02/00/1066990200.db2.gz KXVWEJGJFZFAJU-NQIIRXRSSA-N 0 0 470.017 4.951 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154567 1066990402 /nfs/dbraw/zinc/99/04/02/1066990402.db2.gz OBFBFBCMAMOHJK-ZHRRBRCNSA-N 0 0 454.521 4.696 20 0 JJADRN Cc1cc(C(=O)Nc2cnn(C)c2-c2ccccc2)c(I)cc1Cl ZINC001449223337 1066990505 /nfs/dbraw/zinc/99/05/05/1066990505.db2.gz UFEYKIQPILPLCG-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155720 1066990587 /nfs/dbraw/zinc/99/05/87/1066990587.db2.gz RDLBXPOKSHERPT-MBSDFSHPSA-N 0 0 459.034 4.846 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CCCCC1 ZINC001458155043 1066990657 /nfs/dbraw/zinc/99/06/57/1066990657.db2.gz OQQRONZROPPJHF-UHFFFAOYSA-N 0 0 454.486 4.759 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001458155997 1066991184 /nfs/dbraw/zinc/99/11/84/1066991184.db2.gz FCNOMOKOYTWBOT-SFHVURJKSA-N 0 0 453.283 4.857 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1O ZINC001449227950 1066991385 /nfs/dbraw/zinc/99/13/85/1066991385.db2.gz GMSVGDNWIFIVTJ-UHFFFAOYSA-N 0 0 453.969 4.718 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545731546 1066991589 /nfs/dbraw/zinc/99/15/89/1066991589.db2.gz PWQNHFVWQIPPIB-AGILITTLSA-N 0 0 493.652 4.681 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545731549 1066991740 /nfs/dbraw/zinc/99/17/40/1066991740.db2.gz PWQNHFVWQIPPIB-TUACAJSNSA-N 0 0 493.652 4.681 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CSC[C@@H]1C ZINC001449231121 1066991659 /nfs/dbraw/zinc/99/16/59/1066991659.db2.gz UMFGDWNPDIVLAY-KTIFSJKTSA-N 0 0 452.620 4.808 20 0 JJADRN CCc1cccnc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 ZINC001458156758 1066991681 /nfs/dbraw/zinc/99/16/81/1066991681.db2.gz YRLUBSIDDBGEEI-UHFFFAOYSA-N 0 0 451.502 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H](CCO)c3ccc(Cl)c(Cl)c3)CCC[C@H]12 ZINC001449233553 1066991889 /nfs/dbraw/zinc/99/18/89/1066991889.db2.gz DUVHYVGIZGJKAO-KGVIQGDOSA-N 0 0 457.398 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H](CCO)c3ccc(Cl)c(Cl)c3)CCC[C@H]12 ZINC001449233557 1066992130 /nfs/dbraw/zinc/99/21/30/1066992130.db2.gz DUVHYVGIZGJKAO-NPPFBWRTSA-N 0 0 457.398 4.713 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158313 1066992333 /nfs/dbraw/zinc/99/23/33/1066992333.db2.gz ZZGWEWSGRHZJNE-HTAPYJJXSA-N 0 0 452.624 4.717 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001546012336 1066992350 /nfs/dbraw/zinc/99/23/50/1066992350.db2.gz GQEZIEVMCYQPRV-MRXNPFEDSA-N 0 0 483.407 4.882 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)c(F)cc3Br)C2)c1 ZINC001458159648 1066992607 /nfs/dbraw/zinc/99/26/07/1066992607.db2.gz WQQOLUTVRLHQJF-AWEZNQCLSA-N 0 0 451.311 4.835 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CC3)n2Cc2ccc(C)cc2OCC(F)(F)F)CCO1 ZINC001546097605 1066992656 /nfs/dbraw/zinc/99/26/56/1066992656.db2.gz MZIDFKLSYVZXKE-JOCHJYFZSA-N 0 0 452.521 4.534 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545731926 1066992755 /nfs/dbraw/zinc/99/27/55/1066992755.db2.gz VGVRVCSMNYLQPO-RAARWZODSA-N 0 0 470.658 4.798 20 0 JJADRN Cc1ccc2[nH]c(C(=O)NCCc3nc(-c4ccc(Cl)cc4)n[nH]3)cc2c1Br ZINC001449258881 1066993108 /nfs/dbraw/zinc/99/31/08/1066993108.db2.gz GOKBLAFJLXKMGM-UHFFFAOYSA-N 0 0 458.747 4.650 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCOCCC(C)C)c1ccccc1 ZINC001545732158 1066993148 /nfs/dbraw/zinc/99/31/48/1066993148.db2.gz YPMHRZPVGYLQFS-CAKYRVLISA-N 0 0 470.658 4.657 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545732017 1066993274 /nfs/dbraw/zinc/99/32/74/1066993274.db2.gz WJMMCAXANCYJGE-ZDRNMDQLSA-N 0 0 483.657 4.594 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 ZINC001458160408 1066993248 /nfs/dbraw/zinc/99/32/48/1066993248.db2.gz ZEXQIVJLTWJHEW-VWLOTQADSA-N 0 0 456.539 4.748 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(OC)nc1OC)c1ccccc1 ZINC001545732059 1066993315 /nfs/dbraw/zinc/99/33/15/1066993315.db2.gz WZRVMSSTHHMMAI-DBXWQHBBSA-N 0 0 467.639 4.611 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)C3(NC(=O)OC(C)(C)C)CCC3)c2)c1 ZINC001449262416 1066993564 /nfs/dbraw/zinc/99/35/64/1066993564.db2.gz IESSZLAELMKCCE-UHFFFAOYSA-N 0 0 456.539 4.560 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001449264195 1066993787 /nfs/dbraw/zinc/99/37/87/1066993787.db2.gz MHBFBUCDDSOGKC-OXJNMPFZSA-N 0 0 456.999 4.872 20 0 JJADRN Cc1cc(CCC(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001545732363 1066994011 /nfs/dbraw/zinc/99/40/11/1066994011.db2.gz BNQHKKROIHOBQA-WMZOPIPTSA-N 0 0 453.421 4.842 20 0 JJADRN CCOC(=O)c1sc2nc(C)nc(NCc3cccc(COC4CCOCC4)c3)c2c1C ZINC001458166432 1066994039 /nfs/dbraw/zinc/99/40/39/1066994039.db2.gz SLQDUBFDCVXJHQ-UHFFFAOYSA-N 0 0 455.580 4.793 20 0 JJADRN Cc1ccc(Br)c(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)c1 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LFEQPEAOPSFPCE-RTWAWAEBSA-N 0 0 473.612 4.854 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)CC(C)C)c2)CCO1 ZINC001546098037 1067003453 /nfs/dbraw/zinc/00/34/53/1067003453.db2.gz VOMVAVOECFNNGY-AREMUKBSSA-N 0 0 481.666 4.969 20 0 JJADRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001449357828 1067003465 /nfs/dbraw/zinc/00/34/65/1067003465.db2.gz OLSREKPNRFBAKC-RRPNLBNLSA-N 0 0 458.602 4.902 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001449357827 1067003555 /nfs/dbraw/zinc/00/35/55/1067003555.db2.gz OLSREKPNRFBAKC-KAYWLYCHSA-N 0 0 458.602 4.902 20 0 JJADRN COCCNC(=O)c1cccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1 ZINC001449359239 1067003793 /nfs/dbraw/zinc/00/37/93/1067003793.db2.gz YPUJMZCYZXUMIT-UHFFFAOYSA-N 0 0 455.461 4.660 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)CCO1 ZINC001546098048 1067003775 /nfs/dbraw/zinc/00/37/75/1067003775.db2.gz VVEJRSHKTBPUGM-QHCPKHFHSA-N 0 0 452.521 4.805 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545738856 1067003970 /nfs/dbraw/zinc/00/39/70/1067003970.db2.gz PHBIWQLZKXUFSE-RBZQAINGSA-N 0 0 497.684 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)C1 ZINC001449361254 1067004189 /nfs/dbraw/zinc/00/41/89/1067004189.db2.gz XUFFGOBYAJKXHR-YIXXDRMTSA-N 0 0 452.595 4.786 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)c(=O)[nH]c21 ZINC001449364347 1067004524 /nfs/dbraw/zinc/00/45/24/1067004524.db2.gz BXKOYYZCJFDGRO-GIFJBRJJSA-N 0 0 458.484 4.744 20 0 JJADRN CN1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)s2)CC1 ZINC001449365067 1067004533 /nfs/dbraw/zinc/00/45/33/1067004533.db2.gz CLYOQJCXJKZFSO-GOSISDBHSA-N 0 0 451.558 4.534 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545739057 1067004467 /nfs/dbraw/zinc/00/44/67/1067004467.db2.gz SDQGSZYFTYCJCZ-OFNKIYASSA-N 0 0 493.618 4.957 20 0 JJADRN CC(C)(C)n1cnc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)n1 ZINC001458214370 1067004764 /nfs/dbraw/zinc/00/47/64/1067004764.db2.gz GUJCWUQKCUCBJR-UHFFFAOYSA-N 0 0 451.328 4.658 20 0 JJADRN Cc1sc(Br)c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1C ZINC001458215535 1067004803 /nfs/dbraw/zinc/00/48/03/1067004803.db2.gz VNZYYAIQMIDDEB-ZNMIVQPWSA-N 0 0 457.434 4.893 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739276 1067004777 /nfs/dbraw/zinc/00/47/77/1067004777.db2.gz XHXRCRLFWUIROL-VLCRHTCISA-N 0 0 490.574 4.590 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739275 1067004865 /nfs/dbraw/zinc/00/48/65/1067004865.db2.gz XHXRCRLFWUIROL-STZQEDGTSA-N 0 0 490.574 4.590 20 0 JJADRN CC(=O)c1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001458214483 1067004876 /nfs/dbraw/zinc/00/48/76/1067004876.db2.gz NMXRRDUSSDCJAK-UHFFFAOYSA-N 0 0 458.337 4.542 20 0 JJADRN COc1ccc(C2(CNC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)CCC2)cc1 ZINC001458214395 1067004929 /nfs/dbraw/zinc/00/49/29/1067004929.db2.gz HPUXKWFCYVZMNI-UHFFFAOYSA-N 0 0 456.586 4.919 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545739405 1067005063 /nfs/dbraw/zinc/00/50/63/1067005063.db2.gz ZNIYAHOKXARKJS-DHIUTWEWSA-N 0 0 467.658 4.520 20 0 JJADRN CC(=O)c1cc(Br)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001458215814 1067005110 /nfs/dbraw/zinc/00/51/10/1067005110.db2.gz XMLXYJIHTSFMDU-UHFFFAOYSA-N 0 0 453.218 4.504 20 0 JJADRN C[C@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1nccs1 ZINC001458216739 1067005182 /nfs/dbraw/zinc/00/51/82/1067005182.db2.gz RFANLOJUQINGPG-CJNGLKHVSA-N 0 0 457.518 4.990 20 0 JJADRN COc1c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc(Cl)cc1C(N)=O ZINC001449377278 1067005259 /nfs/dbraw/zinc/00/52/59/1067005259.db2.gz VTEUBAGOTXAHFO-UHFFFAOYSA-N 0 0 455.845 4.842 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545740610 1067005347 /nfs/dbraw/zinc/00/53/47/1067005347.db2.gz APAPGAIYPZAVMM-ICSRJNTNSA-N 0 0 476.452 4.978 20 0 JJADRN CN(c1nc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1)c1ccccc1 ZINC001546013747 1067005675 /nfs/dbraw/zinc/00/56/75/1067005675.db2.gz NVUILLGDKLKBIV-DFNIBXOVSA-N 0 0 456.612 4.914 20 0 JJADRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001458218281 1067005777 /nfs/dbraw/zinc/00/57/77/1067005777.db2.gz KISKMLPWIFJTCV-MRXNPFEDSA-N 0 0 452.795 4.815 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 ZINC001458219354 1067006095 /nfs/dbraw/zinc/00/60/95/1067006095.db2.gz FLBVCGIMSDBLRB-MAIVGLDJSA-N 0 0 450.343 4.909 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC001449397108 1067006435 /nfs/dbraw/zinc/00/64/35/1067006435.db2.gz LLNJHWCYMCKTDJ-WMLDXEAASA-N 0 0 455.571 4.838 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545740834 1067006488 /nfs/dbraw/zinc/00/64/88/1067006488.db2.gz FBGQXQPFPPBHIN-HXUWFJFHSA-N 0 0 478.563 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001449402462 1067006754 /nfs/dbraw/zinc/00/67/54/1067006754.db2.gz QUXYHNHSZMGGOA-GOSISDBHSA-N 0 0 455.571 4.838 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545740990 1067006897 /nfs/dbraw/zinc/00/68/97/1067006897.db2.gz HRQORPVWXVFJJM-QFIPXVFZSA-N 0 0 481.666 4.705 20 0 JJADRN Cn1c(C(=O)NCc2cnc(Br)s2)ccc1-c1ccc(Br)cc1 ZINC001449404304 1067007113 /nfs/dbraw/zinc/00/71/13/1067007113.db2.gz BQMUNLAMFLDLSZ-UHFFFAOYSA-N 0 0 455.175 4.604 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC001458225792 1067007108 /nfs/dbraw/zinc/00/71/08/1067007108.db2.gz QSEYQMVZGFBTJJ-SJLPKXTDSA-N 0 0 454.368 4.847 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545741045 1067007236 /nfs/dbraw/zinc/00/72/36/1067007236.db2.gz IULCOOXDORWGHA-GKAFBRTNSA-N 0 0 481.685 4.909 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001449403046 1067007194 /nfs/dbraw/zinc/00/71/94/1067007194.db2.gz KAQDIOMNCPLTRL-YLJYHZDGSA-N 0 0 450.023 4.627 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCCCc2ccc(Cl)s2)C1(C)C ZINC001449408033 1067007770 /nfs/dbraw/zinc/00/77/70/1067007770.db2.gz VCMPJMNTNBCTPW-KSFYIVLOSA-N 0 0 459.052 4.939 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001545741389 1067007734 /nfs/dbraw/zinc/00/77/34/1067007734.db2.gz PHYQIMBONYPOQK-HTAPYJJXSA-N 0 0 453.414 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC001458228363 1067007835 /nfs/dbraw/zinc/00/78/35/1067007835.db2.gz HSSQCCNHDKDOPY-PGRDOPGGSA-N 0 0 451.405 4.632 20 0 JJADRN O=C(Oc1ccc(-n2ncc3ccccc32)cc1)c1cc(I)ccc1F ZINC001458229547 1067007883 /nfs/dbraw/zinc/00/78/83/1067007883.db2.gz ADMYEHHFXHDBDE-UHFFFAOYSA-N 0 0 458.230 4.988 20 0 JJADRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC001449406547 1067007824 /nfs/dbraw/zinc/00/78/24/1067007824.db2.gz JXVBKUDJWPPDQL-OAQYLSRUSA-N 0 0 457.452 4.766 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)cc1NC(=O)c1ccc(Br)cc1 ZINC001449408757 1067008195 /nfs/dbraw/zinc/00/81/95/1067008195.db2.gz HQLDFLMISCETSS-SFTDATJTSA-N 0 0 457.368 4.793 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1snnc1C)c1ccccc1 ZINC001545741954 1067008955 /nfs/dbraw/zinc/00/89/55/1067008955.db2.gz ZRSFVGPHUWWEKT-HXUWFJFHSA-N 0 0 497.669 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545742973 1067009221 /nfs/dbraw/zinc/00/92/21/1067009221.db2.gz BUYJQFQRIYFCIW-SELNLUPBSA-N 0 0 478.468 4.612 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743056 1067009245 /nfs/dbraw/zinc/00/92/45/1067009245.db2.gz CTZQGHWSKRPXLY-XUZZJYLKSA-N 0 0 479.591 4.711 20 0 JJADRN CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)C1 ZINC001449420375 1067009228 /nfs/dbraw/zinc/00/92/28/1067009228.db2.gz GZWOCHQTLGKAGI-LBPRGKRZSA-N 0 0 459.395 4.964 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cnc3OC(C)C)c2)cc1 ZINC001449420977 1067009347 /nfs/dbraw/zinc/00/93/47/1067009347.db2.gz BXXVEJGVOSYLIW-UHFFFAOYSA-N 0 0 459.955 4.884 20 0 JJADRN CC(C)Oc1ncc(Cl)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001449436453 1067009580 /nfs/dbraw/zinc/00/95/80/1067009580.db2.gz YKNJJIUAMSLXLG-UHFFFAOYSA-N 0 0 451.980 4.779 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1nc(Cc2ccccc2)cs1 ZINC001458236909 1067009799 /nfs/dbraw/zinc/00/97/99/1067009799.db2.gz WTHOPMSMIBCYBY-UHFFFAOYSA-N 0 0 459.369 4.647 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545743263 1067009802 /nfs/dbraw/zinc/00/98/02/1067009802.db2.gz HAFPEVQDQBREGQ-OAQYLSRUSA-N 0 0 486.707 4.873 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(Br)ccc3N)cc2)c1 ZINC001449426421 1067009746 /nfs/dbraw/zinc/00/97/46/1067009746.db2.gz PCTLINJTESADAM-UHFFFAOYSA-N 0 0 457.324 4.771 20 0 JJADRN O=C(NC[C@H](c1nnc[nH]1)c1ccccc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001449461844 1067009940 /nfs/dbraw/zinc/00/99/40/1067009940.db2.gz UJSXVQQWDRSXKB-KRWDZBQOSA-N 0 0 458.465 4.994 20 0 JJADRN COCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccco1 ZINC001458240975 1067010125 /nfs/dbraw/zinc/01/01/25/1067010125.db2.gz CPTFALCBQQTZAJ-FUHWJXTLSA-N 0 0 456.461 4.758 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(Br)cc(F)cc1Br)C2 ZINC001458242544 1067010349 /nfs/dbraw/zinc/01/03/49/1067010349.db2.gz FUOJUMVUPMTMOW-SNVBAGLBSA-N 0 0 459.109 4.549 20 0 JJADRN CC[C@@H](c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545743853 1067010686 /nfs/dbraw/zinc/01/06/86/1067010686.db2.gz RXRKPLUYHSGSEZ-QUURXOELSA-N 0 0 476.669 4.905 20 0 JJADRN CCc1c(C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)cnn1-c1cccc(Cl)c1 ZINC001458243994 1067010826 /nfs/dbraw/zinc/01/08/26/1067010826.db2.gz NHWGQCSSLGPDNU-UHFFFAOYSA-N 0 0 453.909 4.714 20 0 JJADRN COc1cc(C(=O)Nc2c(Br)cc(F)cc2Br)cc2c1O[C@@H](C)C2 ZINC001458243427 1067010946 /nfs/dbraw/zinc/01/09/46/1067010946.db2.gz HUFVAHKKOWIGIO-QMMMGPOBSA-N 0 0 459.109 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)NCc2ccc([Si](C)(C)C)cc2)CC1 ZINC001449474966 1067011029 /nfs/dbraw/zinc/01/10/29/1067011029.db2.gz ONXQRLYFCVRVEW-UHFFFAOYSA-N 0 0 455.675 4.535 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c2ccccc2)cn1 ZINC001458245871 1067011087 /nfs/dbraw/zinc/01/10/87/1067011087.db2.gz NOXYYIUTIYEQPY-NRFANRHFSA-N 0 0 454.317 4.829 20 0 JJADRN Cn1cc([C@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c2ccccc2)cn1 ZINC001458245879 1067011111 /nfs/dbraw/zinc/01/11/11/1067011111.db2.gz NOXYYIUTIYEQPY-OAQYLSRUSA-N 0 0 454.317 4.829 20 0 JJADRN CC(C)n1nnnc1-c1ccc(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)cc1F ZINC001458245575 1067011271 /nfs/dbraw/zinc/01/12/71/1067011271.db2.gz RWDYUCSIRMDIQW-UHFFFAOYSA-N 0 0 459.407 4.517 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001458246111 1067011567 /nfs/dbraw/zinc/01/15/67/1067011567.db2.gz MICKOOVNGHENIH-FZMZJTMJSA-N 0 0 455.274 4.641 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC001449492712 1067011986 /nfs/dbraw/zinc/01/19/86/1067011986.db2.gz WTTLHJTWGUGYQU-SFHVURJKSA-N 0 0 459.930 4.660 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cc(O)cc(Br)c1)c1ccc(F)cc1 ZINC001449501254 1067012135 /nfs/dbraw/zinc/01/21/35/1067012135.db2.gz BGGMMHDFICQZLT-QGZVFWFLSA-N 0 0 453.308 4.541 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)Cc1ccn(CC(F)(F)F)n1)CCC2 ZINC001458252458 1067012229 /nfs/dbraw/zinc/01/22/29/1067012229.db2.gz KAWJIALGKQUQCK-UHFFFAOYSA-N 0 0 452.477 4.623 20 0 JJADRN Cc1ccc(I)c(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC001458249194 1067012260 /nfs/dbraw/zinc/01/22/60/1067012260.db2.gz VETCMBMEIQERRG-MRXNPFEDSA-N 0 0 451.201 4.946 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc(Oc2ccccn2)c1)c1cccc(Br)c1 ZINC001458252261 1067012505 /nfs/dbraw/zinc/01/25/05/1067012505.db2.gz GFTFGQDUNVVLPW-LJQANCHMSA-N 0 0 455.308 4.671 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545745857 1067012768 /nfs/dbraw/zinc/01/27/68/1067012768.db2.gz HNYYNUZUIDMOMO-GMAHTHKFSA-N 0 0 467.658 4.509 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545745856 1067012846 /nfs/dbraw/zinc/01/28/46/1067012846.db2.gz HNYYNUZUIDMOMO-GGAORHGYSA-N 0 0 467.658 4.509 20 0 JJADRN CC[C@@H](Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546015103 1067013109 /nfs/dbraw/zinc/01/31/09/1067013109.db2.gz UNMMHORWBDAVGZ-RDPSFJRHSA-N 0 0 462.585 4.994 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545745898 1067013097 /nfs/dbraw/zinc/01/30/97/1067013097.db2.gz IBPRZNOKYBBHCV-MZYLBHOOSA-N 0 0 471.715 4.950 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545745875 1067013114 /nfs/dbraw/zinc/01/31/14/1067013114.db2.gz HVVSEATYYJXSFJ-HOFKKMOUSA-N 0 0 483.657 4.694 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([S@](C)=O)CCC1)c1ccccc1 ZINC001545745862 1067013163 /nfs/dbraw/zinc/01/31/63/1067013163.db2.gz HOYPBQGWYYMBFU-YDVVPIMXSA-N 0 0 468.589 4.900 20 0 JJADRN COc1cccc2c1CCN(C(=O)CC1(CNC(=O)OCc3ccccc3)CCCCC1)C2 ZINC001458253900 1067013178 /nfs/dbraw/zinc/01/31/78/1067013178.db2.gz LHAKHSXPZBVRJT-UHFFFAOYSA-N 0 0 450.579 4.847 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458254558 1067013198 /nfs/dbraw/zinc/01/31/98/1067013198.db2.gz GINIJZATZDGQGS-UGKGYDQZSA-N 0 0 459.880 4.754 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccc(OC)cc1)OC ZINC001546015171 1067013325 /nfs/dbraw/zinc/01/33/25/1067013325.db2.gz VJDNVRKEPQGKJH-PBASOCQRSA-N 0 0 487.645 4.680 20 0 JJADRN CC[C@@H](Cn1c(N(CC)C[C@H]2COc3ccccc3O2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015144 1067013396 /nfs/dbraw/zinc/01/33/96/1067013396.db2.gz VCNUBJVEDLQJBN-OALUTQOASA-N 0 0 487.645 4.545 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458255034 1067013605 /nfs/dbraw/zinc/01/36/05/1067013605.db2.gz ILCVFYZCBGVMQD-MONBJTKQSA-N 0 0 458.961 4.991 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545746099 1067013732 /nfs/dbraw/zinc/01/37/32/1067013732.db2.gz KCCHRKQMKFKJRJ-PMACEKPBSA-N 0 0 486.604 4.814 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N(C)c3ccnc(C)c3)nnc2-c2ccc(C)cc2)cc1 ZINC001458256534 1067013933 /nfs/dbraw/zinc/01/39/33/1067013933.db2.gz KMMRXLPYTCMURX-UHFFFAOYSA-N 0 0 459.575 4.710 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cs1 ZINC001449535793 1067013962 /nfs/dbraw/zinc/01/39/62/1067013962.db2.gz UWWSBCAWERWPCZ-LBPRGKRZSA-N 0 0 455.502 4.987 20 0 JJADRN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc2ccc(Br)cc2c1 ZINC001449543576 1067013976 /nfs/dbraw/zinc/01/39/76/1067013976.db2.gz PMNQZGDNBOLODQ-SFHVURJKSA-N 0 0 454.242 4.964 20 0 JJADRN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001449540162 1067014136 /nfs/dbraw/zinc/01/41/36/1067014136.db2.gz IWJFROOBLKLROU-FQEVSTJZSA-N 0 0 459.468 4.639 20 0 JJADRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccc(SC(F)(F)F)cc1 ZINC001458257400 1067014151 /nfs/dbraw/zinc/01/41/51/1067014151.db2.gz XMZZQCGTPODSFI-NSHDSACASA-N 0 0 451.488 4.886 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545746350 1067014158 /nfs/dbraw/zinc/01/41/58/1067014158.db2.gz NNALXWFTCYBZID-WIYYLYMNSA-N 0 0 472.058 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc(-c3cccc(Cl)c3F)no2)CC1 ZINC001458256465 1067014324 /nfs/dbraw/zinc/01/43/24/1067014324.db2.gz KTVMBFKIJJFQME-UHFFFAOYSA-N 0 0 451.926 4.901 20 0 JJADRN CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546015442 1067014466 /nfs/dbraw/zinc/01/44/66/1067014466.db2.gz ZWITUNZXYSHCFO-GBESFXJTSA-N 0 0 489.686 4.975 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)cnc1N1CCCC[C@H]1C ZINC001458257891 1067014581 /nfs/dbraw/zinc/01/45/81/1067014581.db2.gz LQEVTNNAXOOFET-PBHICJAKSA-N 0 0 457.372 4.596 20 0 JJADRN C[C@H](OC(=O)c1cn(C)nc1I)c1ccc(SC(F)(F)F)cc1 ZINC001458258102 1067014631 /nfs/dbraw/zinc/01/46/31/1067014631.db2.gz YXNLFIJCXRXUOL-QMMMGPOBSA-N 0 0 456.227 4.555 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnc1N1CCCC[C@@H]1C ZINC001458257555 1067014660 /nfs/dbraw/zinc/01/46/60/1067014660.db2.gz KSJGWTIEMKWASL-QXATTWAWSA-N 0 0 458.965 4.719 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnc1N1CCCC[C@H]1C ZINC001458257562 1067014748 /nfs/dbraw/zinc/01/47/48/1067014748.db2.gz KSJGWTIEMKWASL-YBOAYWMSSA-N 0 0 458.965 4.719 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545746479 1067014570 /nfs/dbraw/zinc/01/45/70/1067014570.db2.gz PKJZANCZUJWKPQ-HBMCJLEFSA-N 0 0 457.688 4.560 20 0 JJADRN COc1ccc(-c2cncc(C(=O)NCC3(C)CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1 ZINC001458258774 1067014948 /nfs/dbraw/zinc/01/49/48/1067014948.db2.gz QNGRXEDKWPBIDV-UHFFFAOYSA-N 0 0 453.583 4.833 20 0 JJADRN Cc1cc(N(C)C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)ccn1 ZINC001458258494 1067014976 /nfs/dbraw/zinc/01/49/76/1067014976.db2.gz QCFVVYVHAGWQCJ-UHFFFAOYSA-N 0 0 452.374 4.741 20 0 JJADRN CCc1nc2ccc(C(=O)OCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)cc2nc1CC ZINC001458259279 1067015123 /nfs/dbraw/zinc/01/51/23/1067015123.db2.gz HBLVPCMRPZUEFI-UHFFFAOYSA-N 0 0 456.333 4.999 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458260383 1067015310 /nfs/dbraw/zinc/01/53/10/1067015310.db2.gz AIWZUPZJOSCZFO-XJWDEFRUSA-N 0 0 450.888 4.728 20 0 JJADRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)ccc12 ZINC001458259507 1067015357 /nfs/dbraw/zinc/01/53/57/1067015357.db2.gz RENUJIBJMCIFHH-REWPJTCUSA-N 0 0 455.917 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545746745 1067015798 /nfs/dbraw/zinc/01/57/98/1067015798.db2.gz UJOMZHQAYJRDFT-LEWJYISDSA-N 0 0 479.591 4.710 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)C2CC(OCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458264436 1067016013 /nfs/dbraw/zinc/01/60/13/1067016013.db2.gz KDOZGUZJKFKHMV-CZUXCOCKSA-N 0 0 458.961 4.641 20 0 JJADRN CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545746984 1067016187 /nfs/dbraw/zinc/01/61/87/1067016187.db2.gz XVTBUJFUVFPFKY-SLQAJWMNSA-N 0 0 479.488 4.856 20 0 JJADRN Cc1noc(-c2ccccc2C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)n1 ZINC001449588972 1067016127 /nfs/dbraw/zinc/01/61/27/1067016127.db2.gz LYTCUHHUINZCLY-FQEVSTJZSA-N 0 0 454.571 4.543 20 0 JJADRN COCC[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001449586429 1067016176 /nfs/dbraw/zinc/01/61/76/1067016176.db2.gz SKVTWWOJDGJJQG-IPELMVKDSA-N 0 0 458.521 4.983 20 0 JJADRN Cc1cccc(-c2cncc(C(=O)NC[C@@H](CO)Cc3ccc(F)c(Br)c3)c2)c1 ZINC001449595815 1067016415 /nfs/dbraw/zinc/01/64/15/1067016415.db2.gz FEMLOJLYIIATLD-KRWDZBQOSA-N 0 0 457.343 4.540 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccn(Cc3ccccc3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458266202 1067016536 /nfs/dbraw/zinc/01/65/36/1067016536.db2.gz NMISKDUFRRJOLI-ISKFKSNPSA-N 0 0 453.945 4.809 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545747179 1067016712 /nfs/dbraw/zinc/01/67/12/1067016712.db2.gz ZXMGUYYEVZPCIB-VQTJNVASSA-N 0 0 466.548 4.530 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545748412 1067016944 /nfs/dbraw/zinc/01/69/44/1067016944.db2.gz AJHXYGIWWLORJK-IRLDBZIGSA-N 0 0 480.682 4.764 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2nnn(Cc3cc(C)on3)c2C)cc1 ZINC001458271705 1067017266 /nfs/dbraw/zinc/01/72/66/1067017266.db2.gz IJKWRWUQQZAHSQ-UHFFFAOYSA-N 0 0 459.550 4.563 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545748676 1067017671 /nfs/dbraw/zinc/01/76/71/1067017671.db2.gz DFLRHOFIHWDVLQ-FCMRCKMTSA-N 0 0 481.685 4.909 20 0 JJADRN CCO[C@@H](C(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC001458272259 1067017814 /nfs/dbraw/zinc/01/78/14/1067017814.db2.gz MBSWMZCPXVGIKD-FCHUYYIVSA-N 0 0 451.485 4.751 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545748745 1067018254 /nfs/dbraw/zinc/01/82/54/1067018254.db2.gz FGFDBSCJXSBDNR-PKTZIBPZSA-N 0 0 450.631 4.900 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OC)C2)n1CCOc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545748793 1067018526 /nfs/dbraw/zinc/01/85/26/1067018526.db2.gz FURQMHLYCAOTHU-PMACEKPBSA-N 0 0 489.542 4.928 20 0 JJADRN CC[C@@H](C)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001449628667 1067018529 /nfs/dbraw/zinc/01/85/29/1067018529.db2.gz WSIIVOISFGTUQS-QGZVFWFLSA-N 0 0 457.500 4.509 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545748916 1067018816 /nfs/dbraw/zinc/01/88/16/1067018816.db2.gz HCLGCPKBOAIWAR-XZOQPEGZSA-N 0 0 469.674 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Oc2ccc(F)c(Br)c2)(C(F)(F)F)C1 ZINC001458276857 1067018917 /nfs/dbraw/zinc/01/89/17/1067018917.db2.gz ADSQPTHJWRXOJO-INIZCTEOSA-N 0 0 456.230 4.683 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545748954 1067018939 /nfs/dbraw/zinc/01/89/39/1067018939.db2.gz HPOZPNAJUFCCEW-NHCUHLMSSA-N 0 0 451.640 4.995 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545749075 1067019190 /nfs/dbraw/zinc/01/91/90/1067019190.db2.gz JSGKWDXSCDLIBE-VXKWHMMOSA-N 0 0 465.667 4.964 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016246 1067019208 /nfs/dbraw/zinc/01/92/08/1067019208.db2.gz ACASLNHQSIXGQX-PMACEKPBSA-N 0 0 466.548 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)c2cnc(-c3cccc(Cl)c3)s2)C1 ZINC001449678260 1067019801 /nfs/dbraw/zinc/01/98/01/1067019801.db2.gz HUHGHPYEAKUBCN-HNNXBMFYSA-N 0 0 457.930 4.838 20 0 JJADRN COc1ccccc1C1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCCC1 ZINC001449680540 1067019815 /nfs/dbraw/zinc/01/98/15/1067019815.db2.gz SHXLIFGQNZIPNM-IBGZPJMESA-N 0 0 452.542 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCCn2ccc3cc(Cl)ccc32)C1 ZINC001449681887 1067019886 /nfs/dbraw/zinc/01/98/86/1067019886.db2.gz VOZXMZRUDSXPFA-GOSISDBHSA-N 0 0 455.933 4.836 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(OC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 ZINC001458279529 1067020010 /nfs/dbraw/zinc/02/00/10/1067020010.db2.gz YGAGCHRDKSONJQ-UHFFFAOYSA-N 0 0 452.392 4.758 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C(C)(C)C1 ZINC001458278976 1067020036 /nfs/dbraw/zinc/02/00/36/1067020036.db2.gz REDAUKDIYMMQKJ-UHFFFAOYSA-N 0 0 454.411 4.713 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545749344 1067019946 /nfs/dbraw/zinc/01/99/46/1067019946.db2.gz MZSAGPVCVFYBNU-DNQXCXABSA-N 0 0 490.652 4.951 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(-c2ccccc2)n1 ZINC001449687774 1067020432 /nfs/dbraw/zinc/02/04/32/1067020432.db2.gz FAJUMIABWLIMFP-SFTDATJTSA-N 0 0 452.599 4.679 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2cccc(F)c2[C@H]1C)OC ZINC001546016595 1067020837 /nfs/dbraw/zinc/02/08/37/1067020837.db2.gz HCKVJUFHKFXZDT-RSPOEFSDSA-N 0 0 487.620 4.737 20 0 JJADRN CCOC(=O)c1oc(N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)nc1C(F)(F)F ZINC001458282807 1067021101 /nfs/dbraw/zinc/02/11/01/1067021101.db2.gz SYBRXHAUZLOPDG-CABZTGNLSA-N 0 0 451.239 4.821 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc(C)c1Cl ZINC001449693832 1067021139 /nfs/dbraw/zinc/02/11/39/1067021139.db2.gz JHCLNYJFDMLDGG-RTBURBONSA-N 0 0 451.007 4.831 20 0 JJADRN CCc1cc(OCC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)ccc1Cl ZINC001449693771 1067021309 /nfs/dbraw/zinc/02/13/09/1067021309.db2.gz JESDGTSWQWPLIA-RTBURBONSA-N 0 0 451.007 4.777 20 0 JJADRN COCc1cc(N2CCC[C@@H]2c2ccc(I)cc2)nc(C(C)(C)C)n1 ZINC001458284952 1067021258 /nfs/dbraw/zinc/02/12/58/1067021258.db2.gz GVPJQSQWDZSUTI-QGZVFWFLSA-N 0 0 451.352 4.867 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(C)COC1)c1ccccc1 ZINC001545750016 1067021421 /nfs/dbraw/zinc/02/14/21/1067021421.db2.gz XBKDYSOPBMKYDG-YADHBBJMSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545749957 1067021593 /nfs/dbraw/zinc/02/15/93/1067021593.db2.gz WBHPWYRAVVFCGD-ZLNRFVROSA-N 0 0 485.673 4.985 20 0 JJADRN Cc1ccc(SCC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC001458287389 1067021893 /nfs/dbraw/zinc/02/18/93/1067021893.db2.gz HILBCKHOCJSNJX-LJQANCHMSA-N 0 0 450.526 4.722 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001449706485 1067022052 /nfs/dbraw/zinc/02/20/52/1067022052.db2.gz SXUBGDFPUGXKNJ-FQEVSTJZSA-N 0 0 458.505 4.601 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC001458287075 1067022037 /nfs/dbraw/zinc/02/20/37/1067022037.db2.gz GILXZCGTZBLKMS-KRWDZBQOSA-N 0 0 453.530 4.590 20 0 JJADRN CC[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(C)ccc1OC ZINC001458287074 1067022050 /nfs/dbraw/zinc/02/20/50/1067022050.db2.gz VPKJNAXNDQVHFX-HSZRJFAPSA-N 0 0 459.608 4.805 20 0 JJADRN Cn1nccc1[C@@H]1C[C@@H](NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC001449710887 1067022476 /nfs/dbraw/zinc/02/24/76/1067022476.db2.gz YSCRFWCEOWQVSC-ODGPQVTHSA-N 0 0 456.011 4.933 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c(OC)c1 ZINC001458291002 1067022891 /nfs/dbraw/zinc/02/28/91/1067022891.db2.gz LBGLMTSJLITNAO-FQEVSTJZSA-N 0 0 457.445 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)C1 ZINC001449717070 1067022972 /nfs/dbraw/zinc/02/29/72/1067022972.db2.gz YHSWGNMENLBIGL-RBUKOAKNSA-N 0 0 451.007 4.995 20 0 JJADRN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1Oc1cccc(Br)c1 ZINC001545751106 1067023031 /nfs/dbraw/zinc/02/30/31/1067023031.db2.gz YSIGBVXYAMDNEN-KRWDZBQOSA-N 0 0 457.368 4.905 20 0 JJADRN Cc1cc(NC(=O)c2cnc(Br)c(Br)c2)nn1-c1ccc(C)cc1 ZINC001458293916 1067023164 /nfs/dbraw/zinc/02/31/64/1067023164.db2.gz HHEPMDXTHCISNE-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN COc1cc([C@@H](NC(=O)c2cc(F)c(Cl)nc2Cl)C(F)(F)F)cc(OC)c1OC ZINC001458293694 1067023267 /nfs/dbraw/zinc/02/32/67/1067023267.db2.gz SHPDQCJWVTWRLU-CYBMUJFWSA-N 0 0 457.207 4.587 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1)OC 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/nfs/dbraw/zinc/02/38/96/1067023896.db2.gz DXVQVVSQMDHEDP-XMMPIXPASA-N 0 0 467.658 4.618 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)OC ZINC001546016496 1067023854 /nfs/dbraw/zinc/02/38/54/1067023854.db2.gz FZQBNLPQAZJTKG-PMACEKPBSA-N 0 0 461.582 4.551 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](COC)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751472 1067024065 /nfs/dbraw/zinc/02/40/65/1067024065.db2.gz GGQMJLGUQNRJJB-JTHBVZDNSA-N 0 0 485.673 4.940 20 0 JJADRN Cc1cccc(-c2cncc(C(=O)NC[C@H](CO)Cc3cc(Br)ccc3F)c2)c1 ZINC001449741524 1067024097 /nfs/dbraw/zinc/02/40/97/1067024097.db2.gz NOWDSAVGXLEQOC-MRXNPFEDSA-N 0 0 457.343 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001449739933 1067024219 /nfs/dbraw/zinc/02/42/19/1067024219.db2.gz GHJUNXYKXRTEIM-QZTJIDSGSA-N 0 0 455.640 4.612 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)C1(c2ccccc2Cl)CCC1 ZINC001449741706 1067024270 /nfs/dbraw/zinc/02/42/70/1067024270.db2.gz OCAPIYWPIWRKJF-AWEZNQCLSA-N 0 0 454.767 4.631 20 0 JJADRN CCSCc1ccccc1C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458296066 1067024382 /nfs/dbraw/zinc/02/43/82/1067024382.db2.gz QGLNTVWKOWSMTO-HXUWFJFHSA-N 0 0 450.526 4.880 20 0 JJADRN COc1cc([C@@H](NC(=O)c2cnc(Cl)c3ccccc23)C(F)(F)F)cc(OC)c1OC ZINC001458295877 1067024580 /nfs/dbraw/zinc/02/45/80/1067024580.db2.gz ZAYIGDOIPIKAPN-GOSISDBHSA-N 0 0 454.832 4.947 20 0 JJADRN CN(C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449747868 1067025097 /nfs/dbraw/zinc/02/50/97/1067025097.db2.gz GXCZKPYZZQOPJL-SHNULKBRSA-N 0 0 450.579 4.883 20 0 JJADRN CSc1nc2ncnc(NC3CCN(Cc4ccc(Br)cc4)CC3)c2s1 ZINC001458299982 1067025129 /nfs/dbraw/zinc/02/51/29/1067025129.db2.gz WNBIECCESSZKNA-UHFFFAOYSA-N 0 0 450.431 4.647 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001545751680 1067025169 /nfs/dbraw/zinc/02/51/69/1067025169.db2.gz JQIMYWWMHMFZGM-SFTDATJTSA-N 0 0 459.585 4.704 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458299354 1067025349 /nfs/dbraw/zinc/02/53/49/1067025349.db2.gz YXJZZLPKMYBGPF-MRFFXTKBSA-N 0 0 453.341 4.630 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1nscc1Br)C(F)(F)F ZINC001458300469 1067025381 /nfs/dbraw/zinc/02/53/81/1067025381.db2.gz BYCIIAIOSUUFQD-OAHLLOKOSA-N 0 0 459.291 4.742 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)N[C@@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)c2)o1 ZINC001458305226 1067025733 /nfs/dbraw/zinc/02/57/33/1067025733.db2.gz VKWQOSIGLOHNOT-FQEVSTJZSA-N 0 0 455.440 4.881 20 0 JJADRN CC[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C)Oc1ccccc1F ZINC001546017086 1067026084 /nfs/dbraw/zinc/02/60/84/1067026084.db2.gz OMQXKDGMVNRYTF-INIZCTEOSA-N 0 0 488.365 4.520 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)Nc1ncnc(C(F)(F)F)c1Br ZINC001458309116 1067026357 /nfs/dbraw/zinc/02/63/57/1067026357.db2.gz LNQBIBLBXZXSCJ-GXTWGEPZSA-N 0 0 458.278 4.722 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458312702 1067026987 /nfs/dbraw/zinc/02/69/87/1067026987.db2.gz APQTWUKQUCDFMD-ZDUSSCGKSA-N 0 0 457.168 4.531 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NC2(C(F)(F)F)CC2)c1 ZINC001449769393 1067027048 /nfs/dbraw/zinc/02/70/48/1067027048.db2.gz UAESCKJGLTXHKI-UHFFFAOYSA-N 0 0 454.514 4.918 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C2=O)cc1 ZINC001449781329 1067027659 /nfs/dbraw/zinc/02/76/59/1067027659.db2.gz GYTRJYCINYPZCO-AZUAARDMSA-N 0 0 459.359 4.868 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546016751 1067027886 /nfs/dbraw/zinc/02/78/86/1067027886.db2.gz JKOJKHYZEOXBIE-SJORKVTESA-N 0 0 471.543 4.645 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545752421 1067027955 /nfs/dbraw/zinc/02/79/55/1067027955.db2.gz XHZCBSVKLXYUBA-DHIUTWEWSA-N 0 0 471.715 4.653 20 0 JJADRN CCOc1cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(OCC)c1OCC ZINC001458315997 1067028248 /nfs/dbraw/zinc/02/82/48/1067028248.db2.gz PJFUDOQHENSPED-UHFFFAOYSA-N 0 0 455.477 4.575 20 0 JJADRN O=C(N1CCC(n2ccc(C(F)(F)F)n2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001458316635 1067028596 /nfs/dbraw/zinc/02/85/96/1067028596.db2.gz RRAFMQNNLCGVRD-UHFFFAOYSA-N 0 0 452.221 4.620 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c(O)c1)c1cccc(Br)c1 ZINC001545752820 1067028777 /nfs/dbraw/zinc/02/87/77/1067028777.db2.gz DRTZXSYYUBVNIG-OAHLLOKOSA-N 0 0 453.283 4.715 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)c1 ZINC001458319486 1067029008 /nfs/dbraw/zinc/02/90/08/1067029008.db2.gz IISIJJFGEVLBEX-UHFFFAOYSA-N 0 0 455.345 4.823 20 0 JJADRN CCc1nc(C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)nn1-c1c(Cl)cccc1Cl ZINC001458318287 1067029165 /nfs/dbraw/zinc/02/91/65/1067029165.db2.gz NYVHCYARDBSWGZ-UHFFFAOYSA-N 0 0 456.333 4.793 20 0 JJADRN CON(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H](C)c1csc(C)n1 ZINC001449796134 1067029036 /nfs/dbraw/zinc/02/90/36/1067029036.db2.gz PASQQXRYXRLUGU-IUODEOHRSA-N 0 0 456.395 4.762 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)cc1 ZINC001449795178 1067029140 /nfs/dbraw/zinc/02/91/40/1067029140.db2.gz KHICSDYGHYHJEE-QWHCGFSZSA-N 0 0 453.486 4.736 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC001545753720 1067029230 /nfs/dbraw/zinc/02/92/30/1067029230.db2.gz XQVBTHUPBDKLSU-CEMLEFRQSA-N 0 0 458.624 4.894 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)cc1 ZINC001449795179 1067029157 /nfs/dbraw/zinc/02/91/57/1067029157.db2.gz KHICSDYGHYHJEE-STQMWFEESA-N 0 0 453.486 4.736 20 0 JJADRN CON(C(=O)c1c(Cl)ccc(I)c1F)[C@H](C)c1csc(C)n1 ZINC001449795967 1067029173 /nfs/dbraw/zinc/02/91/73/1067029173.db2.gz NYORERDONWSCGY-SSDOTTSWSA-N 0 0 454.692 4.613 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCCOC(C)C)c1ccccc1 ZINC001545753932 1067029759 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KAXJGRKEIUEUKK-WMZHIEFXSA-N 0 0 478.641 4.533 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545754525 1067031187 /nfs/dbraw/zinc/03/11/87/1067031187.db2.gz PEAACTLSCNKIME-IFMALSPDSA-N 0 0 483.657 4.571 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017567 1067031275 /nfs/dbraw/zinc/03/12/75/1067031275.db2.gz XCJCKZNJMJNVKO-UYAOXDASSA-N 0 0 457.619 4.926 20 0 JJADRN OC[C@@H](CNc1nc(-c2ccccn2)nc2sccc21)Cc1ccccc1Br ZINC001458325966 1067031251 /nfs/dbraw/zinc/03/12/51/1067031251.db2.gz JMILSODAMVJWIA-CQSZACIVSA-N 0 0 455.381 4.779 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCN(CC(F)(F)F)CC3(C)C)c21 ZINC001458326121 1067031417 /nfs/dbraw/zinc/03/14/17/1067031417.db2.gz KVUOXBFAGJIMMT-UHFFFAOYSA-N 0 0 450.461 4.705 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001458325717 1067031510 /nfs/dbraw/zinc/03/15/10/1067031510.db2.gz WFJZCIIGZOVSKE-KKVAFCGZSA-N 0 0 451.792 4.821 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCOC(C)C)c1ccccc1 ZINC001545754784 1067031807 /nfs/dbraw/zinc/03/18/07/1067031807.db2.gz UYZSPALATYIYDW-UNMCSNQZSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H]2CSC)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017614 1067031880 /nfs/dbraw/zinc/03/18/80/1067031880.db2.gz YDELNZMCQAPAEF-LFAGZIFBSA-N 0 0 458.672 4.844 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@]1(C)CCCO1)c1ccccc1 ZINC001545754873 1067031971 /nfs/dbraw/zinc/03/19/71/1067031971.db2.gz XPVRPADHKGIUJU-SBQVMTCPSA-N 0 0 483.657 4.835 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@]1(C)CCCO1)c1ccccc1 ZINC001545754871 1067032154 /nfs/dbraw/zinc/03/21/54/1067032154.db2.gz XPVRPADHKGIUJU-CLHVYKLBSA-N 0 0 483.657 4.835 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1(O)CCCCCC1)c1ccccc1 ZINC001545756054 1067032428 /nfs/dbraw/zinc/03/24/28/1067032428.db2.gz AFBRZSPXKFFDHH-XMMPIXPASA-N 0 0 497.684 4.820 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCc1csc(C)n1)c1ccccc1 ZINC001545756084 1067032646 /nfs/dbraw/zinc/03/26/46/1067032646.db2.gz AMXNEEGIAHVJLB-UWJYYQICSA-N 0 0 492.615 4.900 20 0 JJADRN O=C(CCN1CSCCSC1)NCC1(c2ccccc2Br)CCCCC1 ZINC001449862190 1067032705 /nfs/dbraw/zinc/03/27/05/1067032705.db2.gz BTBAJQFEDPYTFB-UHFFFAOYSA-N 0 0 457.503 4.854 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(OCC)c1OCC ZINC001458332863 1067032788 /nfs/dbraw/zinc/03/27/88/1067032788.db2.gz HESJHOQYJUGKKO-MRXNPFEDSA-N 0 0 450.938 4.684 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545756176 1067032927 /nfs/dbraw/zinc/03/29/27/1067032927.db2.gz BYVCLQHCHPXFRK-MZYLBHOOSA-N 0 0 482.698 4.831 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001449862132 1067032930 /nfs/dbraw/zinc/03/29/30/1067032930.db2.gz BBHOKGUZPAOMBZ-HNNXBMFYSA-N 0 0 453.174 4.997 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001458332251 1067033055 /nfs/dbraw/zinc/03/30/55/1067033055.db2.gz QCZPKUFOEWUMOZ-LJQANCHMSA-N 0 0 454.939 4.998 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CCCOC(F)F)c1ccccc1 ZINC001545756368 1067033366 /nfs/dbraw/zinc/03/33/66/1067033366.db2.gz GMTGPOCQRHYTBQ-QFIPXVFZSA-N 0 0 489.611 4.821 20 0 JJADRN CC[C@H](CN(C)c1ncnc2ccc(S(C)(=O)=O)cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001458334645 1067033365 /nfs/dbraw/zinc/03/33/65/1067033365.db2.gz VSQSPJVEUPOJIP-CYBMUJFWSA-N 0 0 454.379 4.634 20 0 JJADRN CC[C@@H](CN(C)c1ncnc2ccc(S(C)(=O)=O)cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001458334648 1067033417 /nfs/dbraw/zinc/03/34/17/1067033417.db2.gz VSQSPJVEUPOJIP-ZDUSSCGKSA-N 0 0 454.379 4.634 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2nc(-c3cccs3)ns2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001458334157 1067033450 /nfs/dbraw/zinc/03/34/50/1067033450.db2.gz KDHFKQFGXZIYJW-BONVTDFDSA-N 0 0 453.376 4.732 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001449878248 1067033543 /nfs/dbraw/zinc/03/35/43/1067033543.db2.gz LAQFTFAFBKHFMT-INIZCTEOSA-N 0 0 455.352 4.666 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)/C=C/c2ccccc2OCc2ccccc2)c1 ZINC001458336318 1067033659 /nfs/dbraw/zinc/03/36/59/1067033659.db2.gz VNOMNYMWUOKWAJ-WYMLVPIESA-N 0 0 452.514 4.511 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2ccnc2C)CCO1 ZINC001546099552 1067034180 /nfs/dbraw/zinc/03/41/80/1067034180.db2.gz HMYILUXYRUOXIJ-HHHXNRCGSA-N 0 0 480.657 4.889 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2Br)nn1-c1cc(C)cc(C)c1 ZINC001458339133 1067034610 /nfs/dbraw/zinc/03/46/10/1067034610.db2.gz GZHSCIPSVRFQKZ-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ncnc4cc(Br)sc43)C2)C1 ZINC001458339100 1067034661 /nfs/dbraw/zinc/03/46/61/1067034661.db2.gz RUSGZQOBFSBETO-LJQANCHMSA-N 0 0 453.406 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 ZINC001449895092 1067034864 /nfs/dbraw/zinc/03/48/64/1067034864.db2.gz LYIZEHUIYBHDEY-IBGZPJMESA-N 0 0 456.543 4.541 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001545756953 1067034886 /nfs/dbraw/zinc/03/48/86/1067034886.db2.gz QNLWDGJLLHHBJB-UGESXGAOSA-N 0 0 481.607 4.954 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545756905 1067035139 /nfs/dbraw/zinc/03/51/39/1067035139.db2.gz PXOMGFSUBCNWBO-JOCHJYFZSA-N 0 0 477.657 4.627 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545756952 1067035154 /nfs/dbraw/zinc/03/51/54/1067035154.db2.gz QNLWDGJLLHHBJB-PSBKLILYSA-N 0 0 481.607 4.954 20 0 JJADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001449899500 1067035256 /nfs/dbraw/zinc/03/52/56/1067035256.db2.gz MMOOBNKCOVGVLN-UHFFFAOYSA-N 0 0 454.615 4.762 20 0 JJADRN Cc1ccc(-c2c[nH]cc2C(=O)NCc2c(Br)cncc2Br)s1 ZINC001449900277 1067035289 /nfs/dbraw/zinc/03/52/89/1067035289.db2.gz LIISLKDHZSEEEO-UHFFFAOYSA-N 0 0 455.175 4.902 20 0 JJADRN CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001545756951 1067035243 /nfs/dbraw/zinc/03/52/43/1067035243.db2.gz QNLWDGJLLHHBJB-CZAYHTPWSA-N 0 0 481.607 4.954 20 0 JJADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001458340989 1067035402 /nfs/dbraw/zinc/03/54/02/1067035402.db2.gz ARRLTJLUFKOWIV-PCCBWWKXSA-N 0 0 458.624 4.685 20 0 JJADRN CO[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449903763 1067036295 /nfs/dbraw/zinc/03/62/95/1067036295.db2.gz LEIOAQAQPZRDQT-UBFVSLLYSA-N 0 0 450.579 4.624 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2c(C)noc2C)CCO1 ZINC001546099603 1067036203 /nfs/dbraw/zinc/03/62/03/1067036203.db2.gz JEOWEQRSGLLZEA-SANMLTNESA-N 0 0 467.614 4.947 20 0 JJADRN CCOC(=O)c1cn(C)nc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl ZINC001458342913 1067036263 /nfs/dbraw/zinc/03/62/63/1067036263.db2.gz WPNQIQNVECKSJR-UHFFFAOYSA-N 0 0 453.882 4.828 20 0 JJADRN CN(Cc1ccc(NC(=O)C(=O)c2ccc(Br)s2)cc1)C(=O)OC(C)(C)C ZINC001449905111 1067036473 /nfs/dbraw/zinc/03/64/73/1067036473.db2.gz ZVKAFHYGQRWDEG-UHFFFAOYSA-N 0 0 453.358 4.699 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545758295 1067036668 /nfs/dbraw/zinc/03/66/68/1067036668.db2.gz DOIXNYQYMYSPTK-HXUWFJFHSA-N 0 0 461.532 4.762 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCc1ccsc1)c1ccccc1 ZINC001545758165 1067036769 /nfs/dbraw/zinc/03/67/69/1067036769.db2.gz AWGKAUSNRJSWQO-NZQKXSOJSA-N 0 0 465.667 4.817 20 0 JJADRN O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458346439 1067037539 /nfs/dbraw/zinc/03/75/39/1067037539.db2.gz MDQIVAAVEYSWTF-OAQYLSRUSA-N 0 0 455.341 4.961 20 0 JJADRN COc1cc(I)c(Cl)cc1CNc1cc(Cl)nc(C2CC2)n1 ZINC001458346134 1067037565 /nfs/dbraw/zinc/03/75/65/1067037565.db2.gz INQSMEKOZMCUPJ-UHFFFAOYSA-N 0 0 450.107 4.886 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001458346155 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CCC(CC)(Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](COC)C1)SC ZINC001545769766 1067055912 /nfs/dbraw/zinc/05/59/12/1067055912.db2.gz JXOCYSMFTYAGGK-IBGZPJMESA-N 0 0 459.660 4.542 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1CCC(OCC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001545770029 1067055987 /nfs/dbraw/zinc/05/59/87/1067055987.db2.gz SCAMUNCVGYVKHG-UHFFFAOYSA-N 0 0 463.667 4.880 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001458416133 1067056165 /nfs/dbraw/zinc/05/61/65/1067056165.db2.gz RQRGJHYREADURH-GOSISDBHSA-N 0 0 455.555 4.740 20 0 JJADRN COc1ccc(COCC(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC001458418006 1067056176 /nfs/dbraw/zinc/05/61/76/1067056176.db2.gz PCIPWGSWWQGNLA-UHFFFAOYSA-N 0 0 455.352 4.598 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCCCC2)CCO1 ZINC001546100431 1067056197 /nfs/dbraw/zinc/05/61/97/1067056197.db2.gz ZADNXTBXTUWWSJ-NDEPHWFRSA-N 0 0 497.684 4.563 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)SC ZINC001545770119 1067056280 /nfs/dbraw/zinc/05/62/80/1067056280.db2.gz WDZHXAMDTWKXNN-UHFFFAOYSA-N 0 0 495.640 4.664 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545770090 1067056330 /nfs/dbraw/zinc/05/63/30/1067056330.db2.gz UKZBFPSFGQKTTN-WOJBJXKFSA-N 0 0 463.667 4.736 20 0 JJADRN Cc1sc(C2(NC(=O)[C@@H](C)N3CSCCSC3)CCC2)nc1-c1ccccc1F ZINC001450160366 1067056672 /nfs/dbraw/zinc/05/66/72/1067056672.db2.gz KFDZFOZNMKGUHS-CQSZACIVSA-N 0 0 451.658 4.839 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546100443 1067056824 /nfs/dbraw/zinc/05/68/24/1067056824.db2.gz ZGAYRFGMDCIZMX-YMVVMYQSSA-N 0 0 456.631 4.540 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC001450163902 1067057029 /nfs/dbraw/zinc/05/70/29/1067057029.db2.gz ZHOPEORAHXSCAB-MOPGFXCFSA-N 0 0 452.407 4.593 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)CCc2ccc(OC)c(Br)c2)c1 ZINC001458422463 1067057052 /nfs/dbraw/zinc/05/70/52/1067057052.db2.gz WWYNSBPUBIYKCC-UHFFFAOYSA-N 0 0 452.370 4.684 20 0 JJADRN COC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1ccc(F)c(F)c1 ZINC001458424599 1067057404 /nfs/dbraw/zinc/05/74/04/1067057404.db2.gz TYXXGEYHHGQFRN-FQEVSTJZSA-N 0 0 459.493 4.989 20 0 JJADRN CC(C)n1cc(C2=CCCN(C(=O)CCc3ccccc3NC(=O)OC(C)(C)C)CC2)nn1 ZINC001450178599 1067057493 /nfs/dbraw/zinc/05/74/93/1067057493.db2.gz FSNWBQSUKNHTDJ-UHFFFAOYSA-N 0 0 453.587 4.845 20 0 JJADRN Cc1ccccc1NC(=O)COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001458424287 1067057616 /nfs/dbraw/zinc/05/76/16/1067057616.db2.gz CBFMZTJNIXYAKL-UHFFFAOYSA-N 0 0 459.542 4.804 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545771270 1067057953 /nfs/dbraw/zinc/05/79/53/1067057953.db2.gz KJXQSGVHXHTOIR-UHFFFAOYSA-N 0 0 484.645 4.525 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)C(C)(C)C1)SC ZINC001545771271 1067057985 /nfs/dbraw/zinc/05/79/85/1067057985.db2.gz KNEUGQBTCQYYQJ-KRWDZBQOSA-N 0 0 484.508 4.829 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1)SC ZINC001545771263 1067058086 /nfs/dbraw/zinc/05/80/86/1067058086.db2.gz KCNAAPAOBAUSBK-UHFFFAOYSA-N 0 0 470.481 4.583 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545771284 1067058139 /nfs/dbraw/zinc/05/81/39/1067058139.db2.gz KRHSLMPMBJYFLZ-CTNGQTDRSA-N 0 0 474.621 4.894 20 0 JJADRN CN(C[C@H](O)c1cccc(Br)c1)c1ccc(Br)c(C(F)(F)F)n1 ZINC001458429641 1067058400 /nfs/dbraw/zinc/05/84/00/1067058400.db2.gz MTJUPKYLMQPFEX-LBPRGKRZSA-N 0 0 454.084 4.795 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545771549 1067058672 /nfs/dbraw/zinc/05/86/72/1067058672.db2.gz SDXKKEPUNKHSJM-IBGZPJMESA-N 0 0 477.675 4.917 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1)OC ZINC001545771645 1067059164 /nfs/dbraw/zinc/05/91/64/1067059164.db2.gz WEFUQMYXFLPISE-LJQANCHMSA-N 0 0 496.681 4.674 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(-c4ncco4)cc3C)CC2=O)ccc1Br ZINC001450198105 1067059444 /nfs/dbraw/zinc/05/94/44/1067059444.db2.gz AHUGOGBAECUJSQ-INIZCTEOSA-N 0 0 454.324 4.713 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1)SC ZINC001545771696 1067059741 /nfs/dbraw/zinc/05/97/41/1067059741.db2.gz XECPCJVXVJHXAX-QUCCMNQESA-N 0 0 494.105 4.514 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1)SC ZINC001545771694 1067059949 /nfs/dbraw/zinc/05/99/49/1067059949.db2.gz XECPCJVXVJHXAX-AZUAARDMSA-N 0 0 494.105 4.514 20 0 JJADRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450202217 1067060146 /nfs/dbraw/zinc/06/01/46/1067060146.db2.gz UHGFLZPOQAZBPI-IEBWSBKVSA-N 0 0 455.640 4.660 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC001545772285 1067060151 /nfs/dbraw/zinc/06/01/51/1067060151.db2.gz TUVPJOHXIUHRTK-UHFFFAOYSA-N 0 0 455.870 4.675 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1)OC ZINC001545771756 1067060225 /nfs/dbraw/zinc/06/02/25/1067060225.db2.gz ZDNKPKXGOFNKED-NRFANRHFSA-N 0 0 481.641 4.637 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CCOc1cc(C)ccc1C(C)C ZINC001545772240 1067060342 /nfs/dbraw/zinc/06/03/42/1067060342.db2.gz RPWCMFDWEFFCPA-UHFFFAOYSA-N 0 0 454.539 4.954 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)CCCO1 ZINC001450206758 1067060180 /nfs/dbraw/zinc/06/01/80/1067060180.db2.gz FMTKGUCYWFXBBF-VWLOTQADSA-N 0 0 450.579 4.531 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1)c1cccc(Br)c1 ZINC001458439249 1067060529 /nfs/dbraw/zinc/06/05/29/1067060529.db2.gz XQWSMBIJFGFIDI-NRFANRHFSA-N 0 0 450.336 4.978 20 0 JJADRN Cc1ccnc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)c1 ZINC001450219446 1067060533 /nfs/dbraw/zinc/06/05/33/1067060533.db2.gz WBWOOIOZMUKASQ-UHFFFAOYSA-N 0 0 451.592 4.663 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N(C[C@H]1CCOC1)C1CC1)OC ZINC001545772520 1067060596 /nfs/dbraw/zinc/06/05/96/1067060596.db2.gz CMJSADXVSKBMKN-QGZVFWFLSA-N 0 0 477.447 4.918 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCCCCC1)Oc1ccccc1F ZINC001546020676 1067060741 /nfs/dbraw/zinc/06/07/41/1067060741.db2.gz MPZKSUJPMZGEKX-JTAQYXEDSA-N 0 0 460.594 4.769 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)OC ZINC001545772620 1067060924 /nfs/dbraw/zinc/06/09/24/1067060924.db2.gz FWQWUZKWTNIOMS-ZWKOTPCHSA-N 0 0 494.478 4.884 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)OC ZINC001545772617 1067061161 /nfs/dbraw/zinc/06/11/61/1067061161.db2.gz FWQWUZKWTNIOMS-MSOLQXFVSA-N 0 0 494.478 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2ccc(NCCc3ccccn3)cc2)C1 ZINC001546100723 1067061254 /nfs/dbraw/zinc/06/12/54/1067061254.db2.gz HRTRHRGSJBRAFO-AREMUKBSSA-N 0 0 452.599 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2ccc(NCCc3ccccn3)cc2)C1 ZINC001546100724 1067061383 /nfs/dbraw/zinc/06/13/83/1067061383.db2.gz HRTRHRGSJBRAFO-SANMLTNESA-N 0 0 452.599 4.503 20 0 JJADRN Cc1cnc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c(Br)c1 ZINC001458442259 1067061449 /nfs/dbraw/zinc/06/14/49/1067061449.db2.gz OCYGEMRPDXZWTH-MRXNPFEDSA-N 0 0 453.178 4.691 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)CC1)SC ZINC001545772693 1067061563 /nfs/dbraw/zinc/06/15/63/1067061563.db2.gz JERCWEYABOGXKW-UHFFFAOYSA-N 0 0 461.701 4.524 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](COC(C)C)C1)OC ZINC001545772759 1067061792 /nfs/dbraw/zinc/06/17/92/1067061792.db2.gz LFEVWRCJNZYKQL-FQEVSTJZSA-N 0 0 456.587 4.527 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545772773 1067061871 /nfs/dbraw/zinc/06/18/71/1067061871.db2.gz LNHRPHFACDMTOB-UHFFFAOYSA-N 0 0 455.603 4.804 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1)SC ZINC001545772782 1067061926 /nfs/dbraw/zinc/06/19/26/1067061926.db2.gz LWKWOSJMMILGFQ-UWJYYQICSA-N 0 0 462.660 4.745 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)SC ZINC001545772781 1067061974 /nfs/dbraw/zinc/06/19/74/1067061974.db2.gz LWKWOSJMMILGFQ-UTKZUKDTSA-N 0 0 462.660 4.745 20 0 JJADRN CN1CC[C@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445836 1067062438 /nfs/dbraw/zinc/06/24/38/1067062438.db2.gz FEFADERTNZNQNX-BDJLRTHQSA-N 0 0 450.263 4.969 20 0 JJADRN Cc1c(Br)ccc(O)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001450233604 1067062590 /nfs/dbraw/zinc/06/25/90/1067062590.db2.gz ZNNVUJPEVOQBCR-JTQLQIEISA-N 0 0 458.139 4.762 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(C)C)C1)Oc1ccccc1F ZINC001546021077 1067062890 /nfs/dbraw/zinc/06/28/90/1067062890.db2.gz YBLLYOYKWJHACX-JCUDRXCFSA-N 0 0 474.621 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC12CCC2 ZINC001450239162 1067062963 /nfs/dbraw/zinc/06/29/63/1067062963.db2.gz NEBXOUWOJWCSDZ-MRXNPFEDSA-N 0 0 450.963 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)CCC[C@H]12 ZINC001450244325 1067063380 /nfs/dbraw/zinc/06/33/80/1067063380.db2.gz ZOKYWOYAPNPBIN-UYXZNNOOSA-N 0 0 477.646 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CNC(=O)C2(c3ccccc3Br)CCCCC2)C1 ZINC001458447551 1067063568 /nfs/dbraw/zinc/06/35/68/1067063568.db2.gz MIQISBQFWACOPM-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545773171 1067063822 /nfs/dbraw/zinc/06/38/22/1067063822.db2.gz ZLQMGILDYNVSQX-LJQANCHMSA-N 0 0 487.645 4.510 20 0 JJADRN O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001545773947 1067063832 /nfs/dbraw/zinc/06/38/32/1067063832.db2.gz ZAUFSVBKYSHJDT-IZQLPPHKSA-N 0 0 452.423 4.505 20 0 JJADRN COc1cc(F)c(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F ZINC001545773441 1067063893 /nfs/dbraw/zinc/06/38/93/1067063893.db2.gz JRQKQTDCLVNZRC-UHFFFAOYSA-N 0 0 452.457 4.841 20 0 JJADRN O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001545773948 1067064002 /nfs/dbraw/zinc/06/40/02/1067064002.db2.gz ZAUFSVBKYSHJDT-NNIWKIFQSA-N 0 0 452.423 4.505 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450247523 1067064061 /nfs/dbraw/zinc/06/40/61/1067064061.db2.gz DEOXWMNKDJMUIU-YDWZINQJSA-N 0 0 450.664 4.840 20 0 JJADRN C[C@H](NC(=O)c1cnc2ccc(I)cc2c1O)c1cccc(C2CC2)c1 ZINC001450248106 1067064095 /nfs/dbraw/zinc/06/40/95/1067064095.db2.gz OZBCJUXXROFVMO-LBPRGKRZSA-N 0 0 458.299 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2OC)CC1)OC ZINC001545774005 1067064279 /nfs/dbraw/zinc/06/42/79/1067064279.db2.gz ASYBZFITYKMOQU-UHFFFAOYSA-N 0 0 499.059 4.530 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](SC)C1)SC ZINC001545773982 1067064487 /nfs/dbraw/zinc/06/44/87/1067064487.db2.gz ACIORIQKTWLTHN-FQEVSTJZSA-N 0 0 486.715 4.565 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)OC ZINC001545774172 1067065097 /nfs/dbraw/zinc/06/50/97/1067065097.db2.gz GDBYUPZOAJDVCI-FQEVSTJZSA-N 0 0 489.970 4.728 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)SC ZINC001545774169 1067065277 /nfs/dbraw/zinc/06/52/77/1067065277.db2.gz GAZNVGRQGZGFRB-GOSISDBHSA-N 0 0 460.051 4.990 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001545774173 1067065294 /nfs/dbraw/zinc/06/52/94/1067065294.db2.gz GDBYUPZOAJDVCI-HXUWFJFHSA-N 0 0 489.970 4.728 20 0 JJADRN C[C@H](CC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450256898 1067065313 /nfs/dbraw/zinc/06/53/13/1067065313.db2.gz JIKGAMITHZRPTI-VWKPWSFCSA-N 0 0 450.542 4.618 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCOCC1)NC(=O)OC(C)(C)C ZINC001545774270 1067065619 /nfs/dbraw/zinc/06/56/19/1067065619.db2.gz JODKQBATWLYUST-UHFFFAOYSA-N 0 0 478.037 4.909 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1)SC ZINC001545774294 1067066028 /nfs/dbraw/zinc/06/60/28/1067066028.db2.gz KGDWTFJTKWDEDS-QFIPXVFZSA-N 0 0 481.062 4.525 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451340 1067066145 /nfs/dbraw/zinc/06/61/45/1067066145.db2.gz HFEFGVSNKZCZMH-MSOLQXFVSA-N 0 0 458.183 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1)OC ZINC001545774395 1067066538 /nfs/dbraw/zinc/06/65/38/1067066538.db2.gz NWNVTMSPELXKDI-HXUWFJFHSA-N 0 0 495.462 4.783 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001450263402 1067066561 /nfs/dbraw/zinc/06/65/61/1067066561.db2.gz IUMCAZAXBKJBRE-ZDUSSCGKSA-N 0 0 450.992 4.803 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3oc(CO)cc3c2)cc1)c1ccc(Br)o1 ZINC001450268228 1067067090 /nfs/dbraw/zinc/06/70/90/1067067090.db2.gz KCGPRTMIABSTQX-UHFFFAOYSA-N 0 0 455.264 4.785 20 0 JJADRN CN1CCO[C@@H]([C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454995 1067067049 /nfs/dbraw/zinc/06/70/49/1067067049.db2.gz PAFWYWKWITZGKP-TZIWHRDSSA-N 0 0 457.785 4.604 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453838 1067067086 /nfs/dbraw/zinc/06/70/86/1067067086.db2.gz MRAPMTYJIVAVRX-XLIONFOSSA-N 0 0 459.826 4.927 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001450271821 1067067501 /nfs/dbraw/zinc/06/75/01/1067067501.db2.gz DMCWXUJEKVCJQQ-QHCPKHFHSA-N 0 0 453.627 4.506 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NC[C@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)c2)cs1 ZINC001450272107 1067067530 /nfs/dbraw/zinc/06/75/30/1067067530.db2.gz FCVVRWJLRBMIDQ-IBGZPJMESA-N 0 0 454.596 4.655 20 0 JJADRN CN1CCO[C@@H]([C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456546 1067067909 /nfs/dbraw/zinc/06/79/09/1067067909.db2.gz SUITUMXINLRMPO-AOYPEHQESA-N 0 0 457.014 4.782 20 0 JJADRN COc1cc2cc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)nc3Cl)[nH]c2c(OC)c1OC ZINC001450274714 1067067974 /nfs/dbraw/zinc/06/79/74/1067067974.db2.gz OWRALACYOFPCCQ-VIFPVBQESA-N 0 0 457.836 4.752 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C)SC ZINC001545774753 1067068224 /nfs/dbraw/zinc/06/82/24/1067068224.db2.gz ZXZKMRSUTDANFW-UHFFFAOYSA-N 0 0 496.519 4.899 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC001545775043 1067068452 /nfs/dbraw/zinc/06/84/52/1067068452.db2.gz JZWKOXZALQOCQS-UHFFFAOYSA-N 0 0 453.295 4.763 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1csc(Br)c1)Cc1ccccc1 ZINC001450279195 1067068655 /nfs/dbraw/zinc/06/86/55/1067068655.db2.gz OKPYHLXGPSXMFZ-INIZCTEOSA-N 0 0 453.402 4.719 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC001450279095 1067068682 /nfs/dbraw/zinc/06/86/82/1067068682.db2.gz NSEDGKORHOKCKI-SFHVURJKSA-N 0 0 452.473 4.793 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545775698 1067069124 /nfs/dbraw/zinc/06/91/24/1067069124.db2.gz HYHLAFJEFXRTCZ-JXFKEZNVSA-N 0 0 477.531 4.855 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1ncccc1NCC1CCC1)Cc1ccccc1 ZINC001450286803 1067069211 /nfs/dbraw/zinc/06/92/11/1067069211.db2.gz YYCURZMWQDZEJL-NRFANRHFSA-N 0 0 452.599 4.502 20 0 JJADRN CN(C)C(=O)OC1CCN(C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CC1 ZINC001450294296 1067069441 /nfs/dbraw/zinc/06/94/41/1067069441.db2.gz JXHPQPIAIMMNAV-HXUWFJFHSA-N 0 0 451.350 4.803 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)SC ZINC001545775726 1067069558 /nfs/dbraw/zinc/06/95/58/1067069558.db2.gz IXIJTTPCZYHKFQ-LJQANCHMSA-N 0 0 470.643 4.951 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001450291792 1067069647 /nfs/dbraw/zinc/06/96/47/1067069647.db2.gz IIPJXWBDTWPPSC-LJQANCHMSA-N 0 0 450.753 4.785 20 0 JJADRN CN(C)C(=O)OC1CCN(C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CC1 ZINC001450294295 1067069738 /nfs/dbraw/zinc/06/97/38/1067069738.db2.gz JXHPQPIAIMMNAV-FQEVSTJZSA-N 0 0 451.350 4.803 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)[C@H]3N(C(=O)OCc4ccccc4)CC3(C)C)c2s1 ZINC001450295715 1067070108 /nfs/dbraw/zinc/07/01/08/1067070108.db2.gz IWDYRAVWWNTZOQ-HXUWFJFHSA-N 0 0 452.532 4.674 20 0 JJADRN Cc1ccc2[nH]c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3Br)nc2c1 ZINC001450299613 1067070119 /nfs/dbraw/zinc/07/01/19/1067070119.db2.gz RZHSFPNNSSLICJ-KRWDZBQOSA-N 0 0 459.344 4.838 20 0 JJADRN CC(C)N(C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C1CCCCC1 ZINC001458468935 1067070051 /nfs/dbraw/zinc/07/00/51/1067070051.db2.gz NNPTYQWTBIQMOF-UHFFFAOYSA-N 0 0 454.390 4.863 20 0 JJADRN COCc1ccc(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)cc1F ZINC001458469953 1067070156 /nfs/dbraw/zinc/07/01/56/1067070156.db2.gz KRELVRNREBEYOZ-UHFFFAOYSA-N 0 0 450.226 4.562 20 0 JJADRN COc1cc(Br)cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1 ZINC001458470560 1067070342 /nfs/dbraw/zinc/07/03/42/1067070342.db2.gz PBSKSRZGNVUNBX-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001450306502 1067070639 /nfs/dbraw/zinc/07/06/39/1067070639.db2.gz KJGMCFYDOBWZME-QGZVFWFLSA-N 0 0 459.409 4.839 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N(C)CCOC)NC(=O)OC(C)(C)C ZINC001545776207 1067070811 /nfs/dbraw/zinc/07/08/11/1067070811.db2.gz ZRXUCZZBZBZHMC-UHFFFAOYSA-N 0 0 466.026 4.765 20 0 JJADRN O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001450321628 1067070982 /nfs/dbraw/zinc/07/09/82/1067070982.db2.gz ZJQAHNKECQJGHE-LBPRGKRZSA-N 0 0 453.730 4.525 20 0 JJADRN COC(=O)c1sc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)nc1Cl ZINC001458473790 1067071085 /nfs/dbraw/zinc/07/10/85/1067071085.db2.gz DDBPPGMFZSOBLP-HUUCEWRRSA-N 0 0 451.976 4.788 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc1 ZINC001546021374 1067071767 /nfs/dbraw/zinc/07/17/67/1067071767.db2.gz GMGDMEKGAUEYAP-GOTSBHOMSA-N 0 0 453.583 4.866 20 0 JJADRN CC(C)(C)Oc1cccc(CNC(=O)Cc2ccc(Br)c(Br)c2)n1 ZINC001458477842 1067071814 /nfs/dbraw/zinc/07/18/14/1067071814.db2.gz MVXFSFAHNWNLBU-UHFFFAOYSA-N 0 0 456.178 4.643 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)O[C@H](C)C2 ZINC001450344342 1067071941 /nfs/dbraw/zinc/07/19/41/1067071941.db2.gz IGASATFAKONSOI-AGLNLLDASA-N 0 0 450.362 4.669 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)SC ZINC001545777655 1067072191 /nfs/dbraw/zinc/07/21/91/1067072191.db2.gz JEHOBYOMHRRFCQ-UHFFFAOYSA-N 0 0 476.691 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](Nc2nc(C3CCOCC3)ns2)C1 ZINC001458479015 1067072203 /nfs/dbraw/zinc/07/22/03/1067072203.db2.gz OUWGVGQGMOGHRL-RTBURBONSA-N 0 0 462.591 4.776 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)c1cccc(OCC(F)F)n1 ZINC001458479362 1067072220 /nfs/dbraw/zinc/07/22/20/1067072220.db2.gz XLVAFQHSQDZWHE-UHFFFAOYSA-N 0 0 458.412 4.835 20 0 JJADRN COC(=O)c1sc2nc(C)nc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C ZINC001458479778 1067072363 /nfs/dbraw/zinc/07/23/63/1067072363.db2.gz AATALCUPZJKLCP-UHFFFAOYSA-N 0 0 451.379 4.728 20 0 JJADRN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458479258 1067072391 /nfs/dbraw/zinc/07/23/91/1067072391.db2.gz JLFOTLQQXHYKAX-FQEVSTJZSA-N 0 0 459.855 4.734 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)SC ZINC001545777820 1067072353 /nfs/dbraw/zinc/07/23/53/1067072353.db2.gz NNOOQELURBZUEX-SFHVURJKSA-N 0 0 474.675 4.708 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)CC1)SC ZINC001545777824 1067072504 /nfs/dbraw/zinc/07/25/04/1067072504.db2.gz NPJWCPSBIHUSTK-UHFFFAOYSA-N 0 0 454.619 4.728 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001450351213 1067072830 /nfs/dbraw/zinc/07/28/30/1067072830.db2.gz NJWLXYVPVPMRKZ-OAHLLOKOSA-N 0 0 455.736 4.829 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC001458482519 1067073048 /nfs/dbraw/zinc/07/30/48/1067073048.db2.gz PLSNKZMZEMXRFH-HXUWFJFHSA-N 0 0 454.876 4.526 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC001458482517 1067073166 /nfs/dbraw/zinc/07/31/66/1067073166.db2.gz PLSNKZMZEMXRFH-FQEVSTJZSA-N 0 0 454.876 4.526 20 0 JJADRN CCO/C=C/[C@@](O)(CNC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001450360085 1067073197 /nfs/dbraw/zinc/07/31/97/1067073197.db2.gz ZOVVWMAJFOMGMW-DKRLNXSXSA-N 0 0 453.244 4.530 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001545779140 1067073639 /nfs/dbraw/zinc/07/36/39/1067073639.db2.gz DPYJZKCQUFLATI-UHFFFAOYSA-N 0 0 491.558 4.990 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(CCc4ccccc4)ccc3O)nc21 ZINC001450371543 1067073591 /nfs/dbraw/zinc/07/35/91/1067073591.db2.gz FNZXEUWOXKJLFW-SFHVURJKSA-N 0 0 450.560 4.869 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001546022184 1067073734 /nfs/dbraw/zinc/07/37/34/1067073734.db2.gz YNJUSUYHWDFYHL-NFBKMPQASA-N 0 0 458.986 4.801 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)SC ZINC001545779102 1067073714 /nfs/dbraw/zinc/07/37/14/1067073714.db2.gz CSOOCSMLDCHTCM-LJQANCHMSA-N 0 0 472.703 4.670 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)ccn1 ZINC001458490200 1067073883 /nfs/dbraw/zinc/07/38/83/1067073883.db2.gz FKWZQDRZQNCTKR-UHFFFAOYSA-N 0 0 455.301 4.507 20 0 JJADRN CC(=O)N(CC(=O)N(Cc1ccc2ccccc2n1)c1ccc(N(C)C)cc1)c1ccccc1 ZINC001458491804 1067074010 /nfs/dbraw/zinc/07/40/10/1067074010.db2.gz PKJOSTIDONSRAF-UHFFFAOYSA-N 0 0 452.558 4.887 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccnc3Nc3ccccc3OC)nc21 ZINC001450375307 1067074172 /nfs/dbraw/zinc/07/41/72/1067074172.db2.gz NABGKPJAFQEMJO-CQSZACIVSA-N 0 0 452.536 4.526 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(C)c(OC)c2)CCO1 ZINC001546101393 1067074401 /nfs/dbraw/zinc/07/44/01/1067074401.db2.gz CFEJCNPQJGMFRX-CIXCFARBSA-N 0 0 470.658 4.762 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccnc(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493053 1067074508 /nfs/dbraw/zinc/07/45/08/1067074508.db2.gz UWANLVMLCDPDQB-BKMJKUGQSA-N 0 0 458.562 4.588 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)SC ZINC001545779446 1067074609 /nfs/dbraw/zinc/07/46/09/1067074609.db2.gz OEJPFFKIOAYWHZ-KRWDZBQOSA-N 0 0 459.689 4.535 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001546022362 1067074687 /nfs/dbraw/zinc/07/46/87/1067074687.db2.gz DAHCHPSLUMNPOJ-TZIWHRDSSA-N 0 0 485.654 4.620 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC001450381277 1067074819 /nfs/dbraw/zinc/07/48/19/1067074819.db2.gz PVLHKQFCOULVKN-SFHVURJKSA-N 0 0 450.340 4.733 20 0 JJADRN CCc1c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cnn1-c1ccc(C)cc1 ZINC001450382091 1067074905 /nfs/dbraw/zinc/07/49/05/1067074905.db2.gz CNHNUFGBBFBJRU-UHFFFAOYSA-N 0 0 452.599 4.606 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545779670 1067074925 /nfs/dbraw/zinc/07/49/25/1067074925.db2.gz WTASYYWRUJTLNU-FQEVSTJZSA-N 0 0 486.661 4.610 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450382066 1067074961 /nfs/dbraw/zinc/07/49/61/1067074961.db2.gz CKVLBARKFNHNPS-AWEZNQCLSA-N 0 0 454.876 4.763 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450385407 1067074995 /nfs/dbraw/zinc/07/49/95/1067074995.db2.gz JDVINTGWPMGJST-FYWRMAATSA-N 0 0 453.377 4.695 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450394052 1067075335 /nfs/dbraw/zinc/07/53/35/1067075335.db2.gz AGGVVAUPULSNTK-RLFYNMQTSA-N 0 0 458.521 4.933 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(I)ccc1O ZINC001545779937 1067075482 /nfs/dbraw/zinc/07/54/82/1067075482.db2.gz GWIAOHCWLPNNJA-AWEZNQCLSA-N 0 0 450.320 4.936 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(C(=O)OC)ccc3-n3cc(C)cn3)c2)c1C ZINC001458498288 1067075442 /nfs/dbraw/zinc/07/54/42/1067075442.db2.gz UTKVTTOPKPBPQZ-UHFFFAOYSA-N 0 0 457.534 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1cccc(OCc3cscn3)c1)CC2 ZINC001450386290 1067075466 /nfs/dbraw/zinc/07/54/66/1067075466.db2.gz NDNSGRMQCIUFHG-UHFFFAOYSA-N 0 0 457.596 4.585 20 0 JJADRN CC1(C)CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450397832 1067075762 /nfs/dbraw/zinc/07/57/62/1067075762.db2.gz NHBFXEWVPKZVLY-KRWDZBQOSA-N 0 0 450.482 4.742 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)n2)c1 ZINC001450397533 1067075975 /nfs/dbraw/zinc/07/59/75/1067075975.db2.gz IBIQLYUKTXEKKF-XMMPIXPASA-N 0 0 451.910 4.941 20 0 JJADRN C[C@H](NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)ccc1OC(F)F ZINC001458501294 1067076026 /nfs/dbraw/zinc/07/60/26/1067076026.db2.gz QPMNXTCSYOFAEL-ZDUSSCGKSA-N 0 0 452.885 4.863 20 0 JJADRN CNc1cc(I)ccc1C(=O)N1CCC(c2ccc(F)cc2C)CC1 ZINC001450396179 1067075993 /nfs/dbraw/zinc/07/59/93/1067075993.db2.gz MEBLYDOFXGJVPD-UHFFFAOYSA-N 0 0 452.311 4.800 20 0 JJADRN C[C@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)n1ccc2ccccc2c1=O ZINC001450397417 1067076061 /nfs/dbraw/zinc/07/60/61/1067076061.db2.gz CTPAJEUCFRLZTN-IERDGZPVSA-N 0 0 458.480 4.960 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1)OCc1ccccc1 ZINC001545780395 1067076082 /nfs/dbraw/zinc/07/60/82/1067076082.db2.gz UVXXCIGTQKJRQS-RPWUZVMVSA-N 0 0 450.579 4.522 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001458502841 1067076217 /nfs/dbraw/zinc/07/62/17/1067076217.db2.gz YTXSRSLFHSVOHI-ZDUSSCGKSA-N 0 0 452.914 4.800 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nn1 ZINC001450401783 1067076366 /nfs/dbraw/zinc/07/63/66/1067076366.db2.gz GTMZNBXYNBXUON-OAQYLSRUSA-N 0 0 458.484 4.841 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[C@H]1CSC)OC ZINC001545780955 1067076735 /nfs/dbraw/zinc/07/67/35/1067076735.db2.gz OLPINMLRPHRHQI-IBGZPJMESA-N 0 0 498.697 4.773 20 0 JJADRN C[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccc2c(c1)CCCO2 ZINC001458502878 1067076725 /nfs/dbraw/zinc/07/67/25/1067076725.db2.gz RWSMXOIIRGNXDA-GFCCVEGCSA-N 0 0 450.848 4.798 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)c1ccc(F)cc1OC(F)F ZINC001458503638 1067076806 /nfs/dbraw/zinc/07/68/06/1067076806.db2.gz JINNHUDWHVMDGP-DNVCBOLYSA-N 0 0 450.457 4.796 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)c1ccc(F)cc1OC(F)F ZINC001458503622 1067076819 /nfs/dbraw/zinc/07/68/19/1067076819.db2.gz JINNHUDWHVMDGP-BEFAXECRSA-N 0 0 450.457 4.796 20 0 JJADRN CCC(CC)(Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1ccco1)SC ZINC001545780904 1067076846 /nfs/dbraw/zinc/07/68/46/1067076846.db2.gz NEFUMOXUEMMKKS-QGZVFWFLSA-N 0 0 490.699 4.950 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H]1C)OC ZINC001545780991 1067076863 /nfs/dbraw/zinc/07/68/63/1067076863.db2.gz PWXLSEGHJFOTGG-MOPGFXCFSA-N 0 0 466.630 4.676 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001450403893 1067076973 /nfs/dbraw/zinc/07/69/73/1067076973.db2.gz DZHIGPFYJASATA-IRLDBZIGSA-N 0 0 458.599 4.686 20 0 JJADRN Cc1cc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)nn1CCCOc1ccc(F)cc1 ZINC001458504882 1067077023 /nfs/dbraw/zinc/07/70/23/1067077023.db2.gz HMHPUPWPDPAVSQ-JOCHJYFZSA-N 0 0 459.562 4.886 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001458505285 1067077164 /nfs/dbraw/zinc/07/71/64/1067077164.db2.gz WIWDVNBUHCRHKN-KGLIPLIRSA-N 0 0 459.395 4.617 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)SC ZINC001545781122 1067077201 /nfs/dbraw/zinc/07/72/01/1067077201.db2.gz TWSZHOPMOFZQOW-UHFFFAOYSA-N 0 0 484.714 4.942 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001450405259 1067077365 /nfs/dbraw/zinc/07/73/65/1067077365.db2.gz FNCYDQYIMFHKQQ-FGKJDPMHSA-N 0 0 458.599 4.745 20 0 JJADRN CC(C)[C@H](O)[C@H](Nc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505382 1067077592 /nfs/dbraw/zinc/07/75/92/1067077592.db2.gz RZAJUEBNHWPJFC-UXHICEINSA-N 0 0 452.356 4.748 20 0 JJADRN CC1(C)CN(C(=O)c2cnn(Cc3ccccc3)c2N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450408665 1067077678 /nfs/dbraw/zinc/07/76/78/1067077678.db2.gz MRGZXWIJHUYUJH-FQEVSTJZSA-N 0 0 458.484 4.525 20 0 JJADRN O=C(CCNC(=O)c1ccsc1NC(=O)c1ccco1)Nc1cc(Cl)cc(Cl)c1 ZINC001450409009 1067077778 /nfs/dbraw/zinc/07/77/78/1067077778.db2.gz KECSBOSYOZNJIP-UHFFFAOYSA-N 0 0 452.319 4.659 20 0 JJADRN O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450410533 1067078116 /nfs/dbraw/zinc/07/81/16/1067078116.db2.gz KZCFUEQQSXJISS-VPUSJEBWSA-N 0 0 451.513 4.929 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545782583 1067078177 /nfs/dbraw/zinc/07/81/77/1067078177.db2.gz QOKGMMKVSYBXAR-FQEVSTJZSA-N 0 0 455.672 4.957 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCC[C@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545782598 1067078192 /nfs/dbraw/zinc/07/81/92/1067078192.db2.gz QXZFLPHHBJKJRS-FQEVSTJZSA-N 0 0 461.651 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC001450412240 1067078452 /nfs/dbraw/zinc/07/84/52/1067078452.db2.gz OPRXQTTVMIIZNR-UNMCSNQZSA-N 0 0 453.583 4.511 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)c2)cc1 ZINC001545783405 1067078651 /nfs/dbraw/zinc/07/86/51/1067078651.db2.gz QBANEAWKHHWIRF-UHFFFAOYSA-N 0 0 453.411 4.737 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)OC ZINC001545783699 1067078862 /nfs/dbraw/zinc/07/88/62/1067078862.db2.gz AJKVFUIFKKOZAY-GOTSBHOMSA-N 0 0 456.631 4.563 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(F)cc1 ZINC001450415146 1067078887 /nfs/dbraw/zinc/07/88/87/1067078887.db2.gz QYPZFBGHEBCZTJ-PGRDOPGGSA-N 0 0 456.562 4.572 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21)OC ZINC001545783806 1067079196 /nfs/dbraw/zinc/07/91/96/1067079196.db2.gz CNYVCEMAMMOHME-NJYVYQBISA-N 0 0 475.678 4.977 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(C)n(-c4ccccc4Cl)n3)CC2)cc1 ZINC001450420229 1067079405 /nfs/dbraw/zinc/07/94/05/1067079405.db2.gz WQPCNCWEHPHXSC-DEOSSOPVSA-N 0 0 453.970 4.819 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001546022659 1067079614 /nfs/dbraw/zinc/07/96/14/1067079614.db2.gz KBSFRPYGGSVTGF-QGZVFWFLSA-N 0 0 490.073 4.717 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1F ZINC001458516048 1067079672 /nfs/dbraw/zinc/07/96/72/1067079672.db2.gz AWVBINZRKJBHLZ-UKRRQHHQSA-N 0 0 452.295 4.884 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)OC ZINC001545783919 1067079709 /nfs/dbraw/zinc/07/97/09/1067079709.db2.gz GQBOBZGHAPICDO-PZJWPPBQSA-N 0 0 493.693 4.507 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC001545784076 1067079751 /nfs/dbraw/zinc/07/97/51/1067079751.db2.gz JZGNNURPZQHGFI-HXUWFJFHSA-N 0 0 499.656 4.524 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(Br)c(F)cc3C)CC2)cc1 ZINC001450421882 1067079860 /nfs/dbraw/zinc/07/98/60/1067079860.db2.gz YIPLTHPEBLWCRX-NRFANRHFSA-N 0 0 450.348 4.881 20 0 JJADRN CC1(C)CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450421153 1067080076 /nfs/dbraw/zinc/08/00/76/1067080076.db2.gz XSNRWRGUBFQNRH-FQEVSTJZSA-N 0 0 459.468 4.567 20 0 JJADRN Cc1ccc(Br)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)c1 ZINC001458523435 1067080276 /nfs/dbraw/zinc/08/02/76/1067080276.db2.gz SSZGZDDPBJVRSS-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001546022818 1067080340 /nfs/dbraw/zinc/08/03/40/1067080340.db2.gz OBRHDPQRIOLILU-UHFFFAOYSA-N 0 0 494.865 4.930 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001546022726 1067080485 /nfs/dbraw/zinc/08/04/85/1067080485.db2.gz LQHOMYOZRXKZCF-IRLDBZIGSA-N 0 0 496.656 4.737 20 0 JJADRN O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450437167 1067080520 /nfs/dbraw/zinc/08/05/20/1067080520.db2.gz PULGVZDVXZIOMD-BVAGGSTKSA-N 0 0 452.957 4.935 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CC[C@@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784330 1067080486 /nfs/dbraw/zinc/08/04/86/1067080486.db2.gz QRJGENFRAQDZSO-XMMPIXPASA-N 0 0 461.651 4.636 20 0 JJADRN O=C(Oc1ccc(Br)cc1C(F)(F)F)c1nn2c(c1Br)CCC2 ZINC001458525126 1067080554 /nfs/dbraw/zinc/08/05/54/1067080554.db2.gz HATHLIBHLXOZJS-UHFFFAOYSA-N 0 0 454.040 4.592 20 0 JJADRN C[C@@H]1CC(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC001458524785 1067080622 /nfs/dbraw/zinc/08/06/22/1067080622.db2.gz FRBBOWBGMOWQKM-HZPDHXFCSA-N 0 0 456.999 4.752 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC001450442374 1067080841 /nfs/dbraw/zinc/08/08/41/1067080841.db2.gz FVARTRCQSZUEKZ-UHFFFAOYSA-N 0 0 456.502 4.609 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC001450450247 1067081091 /nfs/dbraw/zinc/08/10/91/1067081091.db2.gz GRMPPNCZECLEOU-OAHLLOKOSA-N 0 0 453.130 4.730 20 0 JJADRN Cc1cc(NC(=O)c2cc(I)ccc2F)ccc1C(=O)OC(C)(C)C ZINC001458528390 1067081378 /nfs/dbraw/zinc/08/13/78/1067081378.db2.gz ANBXNPGZYDRTRE-UHFFFAOYSA-N 0 0 455.267 4.946 20 0 JJADRN CC[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)N(C)C(=O)OC(C)(C)C ZINC001545785611 1067081511 /nfs/dbraw/zinc/08/15/11/1067081511.db2.gz ZHYZWUGVMGCREW-IBGZPJMESA-N 0 0 455.640 4.708 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458527667 1067081500 /nfs/dbraw/zinc/08/15/00/1067081500.db2.gz OVGQVZRQMOFCPW-UHFFFAOYSA-N 0 0 452.436 4.624 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)n2C)cc1 ZINC001450455581 1067081920 /nfs/dbraw/zinc/08/19/20/1067081920.db2.gz ZMGMEMSWBMZLMG-VQTJNVASSA-N 0 0 456.587 4.898 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546101756 1067081840 /nfs/dbraw/zinc/08/18/40/1067081840.db2.gz KLNHXOFDICFZNM-XYVRPBRGSA-N 0 0 474.621 4.985 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CCO1 ZINC001546101775 1067082206 /nfs/dbraw/zinc/08/22/06/1067082206.db2.gz KZKJQEJPOVEGBY-JOCHJYFZSA-N 0 0 452.521 4.827 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)SC ZINC001545786453 1067082346 /nfs/dbraw/zinc/08/23/46/1067082346.db2.gz POLDYVRFICAYHI-CVEARBPZSA-N 0 0 471.092 4.997 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)SC ZINC001545786454 1067082458 /nfs/dbraw/zinc/08/24/58/1067082458.db2.gz POLDYVRFICAYHI-HOTGVXAUSA-N 0 0 471.092 4.997 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(C)CC1)OC ZINC001545786551 1067082524 /nfs/dbraw/zinc/08/25/24/1067082524.db2.gz RKLCOHKCCCOAIB-CBNMVNINSA-N 0 0 493.693 4.807 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C)c1)NC(=O)OC(C)(C)C ZINC001545786377 1067082560 /nfs/dbraw/zinc/08/25/60/1067082560.db2.gz NSUGRVBMCVFUOS-NRFANRHFSA-N 0 0 471.646 4.810 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2ccnc2C)CCO1 ZINC001546101797 1067082718 /nfs/dbraw/zinc/08/27/18/1067082718.db2.gz LOIQHEFZJJELRE-HSZRJFAPSA-N 0 0 493.439 4.764 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)c1ccc(Br)cc1 ZINC001458531396 1067082756 /nfs/dbraw/zinc/08/27/56/1067082756.db2.gz LFWCIJJYZOJMQZ-YYWHXJBOSA-N 0 0 460.368 4.762 20 0 JJADRN Cc1cc(SCC(=O)NCc2cccc(C3(C)OCCO3)c2)c(C)cc1Br ZINC001450463929 1067082737 /nfs/dbraw/zinc/08/27/37/1067082737.db2.gz LLLCBRQHCOZAGK-UHFFFAOYSA-N 0 0 450.398 4.694 20 0 JJADRN Cc1cccc(CSCC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450467462 1067082751 /nfs/dbraw/zinc/08/27/51/1067082751.db2.gz FOVGXLASMFATOP-BJKOFHAPSA-N 0 0 452.620 4.782 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001546023138 1067082770 /nfs/dbraw/zinc/08/27/70/1067082770.db2.gz XHBFLSBYMDSIAZ-GOSISDBHSA-N 0 0 469.655 4.932 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@H](C2CCC2)C1)OC ZINC001545787867 1067083276 /nfs/dbraw/zinc/08/32/76/1067083276.db2.gz ABIAGNRGKQBEMP-LJQANCHMSA-N 0 0 462.585 4.605 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC001458534211 1067083350 /nfs/dbraw/zinc/08/33/50/1067083350.db2.gz WRGJSFRKCOMFJH-DYESRHJHSA-N 0 0 450.620 4.574 20 0 JJADRN O=C(NC/C=C\c1cccnc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001450470292 1067083419 /nfs/dbraw/zinc/08/34/19/1067083419.db2.gz RTFRYXCPMVPJBV-RQOWECAXSA-N 0 0 457.790 4.715 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC001458533332 1067083529 /nfs/dbraw/zinc/08/35/29/1067083529.db2.gz VOUUHVDQEODVAT-RBSFLKMASA-N 0 0 457.621 4.758 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC001458534218 1067083542 /nfs/dbraw/zinc/08/35/42/1067083542.db2.gz WRGJSFRKCOMFJH-UWJYYQICSA-N 0 0 450.620 4.574 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450474470 1067083689 /nfs/dbraw/zinc/08/36/89/1067083689.db2.gz OMROUXVOKIHDJA-RPBOFIJWSA-N 0 0 450.579 4.779 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C(C)=O)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001458536771 1067083826 /nfs/dbraw/zinc/08/38/26/1067083826.db2.gz TXCXYBXDOBIEBJ-BKMJKUGQSA-N 0 0 457.530 4.724 20 0 JJADRN O=C(Nc1scnc1C1CC1)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001458536322 1067084070 /nfs/dbraw/zinc/08/40/70/1067084070.db2.gz RQLTZJUVVPVZLB-HNNXBMFYSA-N 0 0 450.358 4.523 20 0 JJADRN CCc1c(C(=O)N2CCc3c(F)ccc(Br)c3C2)cnn1-c1ccc(OC)cc1 ZINC001450479535 1067084089 /nfs/dbraw/zinc/08/40/89/1067084089.db2.gz HCIVSIXIDBNKLC-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001450484002 1067084401 /nfs/dbraw/zinc/08/44/01/1067084401.db2.gz OXBCXWWHCXVUTK-UAPYVXQJSA-N 0 0 456.514 4.750 20 0 JJADRN C[C@H](F)CCNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC001450481501 1067084504 /nfs/dbraw/zinc/08/45/04/1067084504.db2.gz IPQCTLKZJYYZBP-HNNXBMFYSA-N 0 0 453.539 4.660 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1)SC ZINC001545788379 1067084565 /nfs/dbraw/zinc/08/45/65/1067084565.db2.gz RWGSCCBQEIMZIF-UHFFFAOYSA-N 0 0 450.722 4.798 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)OC ZINC001545788391 1067084633 /nfs/dbraw/zinc/08/46/33/1067084633.db2.gz SMEKERXEDVSOIC-HXUWFJFHSA-N 0 0 485.579 4.795 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)OC ZINC001545788505 1067084825 /nfs/dbraw/zinc/08/48/25/1067084825.db2.gz XGHWGYDOQNZCAK-QHCPKHFHSA-N 0 0 482.591 4.912 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001545788527 1067084961 /nfs/dbraw/zinc/08/49/61/1067084961.db2.gz XQYRXEIUUHLRIZ-OAQYLSRUSA-N 0 0 477.694 4.813 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C)OC ZINC001545788564 1067085006 /nfs/dbraw/zinc/08/50/06/1067085006.db2.gz YQVQAZJUADJRGV-OAQYLSRUSA-N 0 0 472.584 4.600 20 0 JJADRN CC[C@H](CSc1ccccc1)NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001546023564 1067084965 /nfs/dbraw/zinc/08/49/65/1067084965.db2.gz HSIYPDPKJKXYDM-GOSISDBHSA-N 0 0 454.596 4.660 20 0 JJADRN CC[C@]1(C(=O)N2CCc3c(F)ccc(Br)c3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001450493289 1067085200 /nfs/dbraw/zinc/08/52/00/1067085200.db2.gz YHNHYHXRFBNBLC-NRFANRHFSA-N 0 0 455.368 4.510 20 0 JJADRN CN(CCC(=O)OC(C)(C)C)C(=O)c1cccnc1Sc1ccc(Br)cc1 ZINC001545788730 1067085198 /nfs/dbraw/zinc/08/51/98/1067085198.db2.gz FTPWKJFFGWOGNM-UHFFFAOYSA-N 0 0 451.386 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](Nc2ccc3nnc(Br)n3n2)C1(C)C ZINC001458545861 1067085245 /nfs/dbraw/zinc/08/52/45/1067085245.db2.gz KLGAWRKRTGUCSK-MRXNPFEDSA-N 0 0 459.348 4.574 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(F)cnc2Cl)cc1OCC ZINC001450487118 1067085342 /nfs/dbraw/zinc/08/53/42/1067085342.db2.gz RGUBHDWTWFRYDO-UHFFFAOYSA-N 0 0 456.901 4.833 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\c1cccnc1 ZINC001450492869 1067085384 /nfs/dbraw/zinc/08/53/84/1067085384.db2.gz HKSGTGNPSLYKED-IOPHVTJRSA-N 0 0 455.558 4.918 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545789280 1067085287 /nfs/dbraw/zinc/08/52/87/1067085287.db2.gz BBFFLNDDVDYLRZ-RBUKOAKNSA-N 0 0 488.702 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC001450513843 1067085530 /nfs/dbraw/zinc/08/55/30/1067085530.db2.gz OXJVUAFTMBBXTE-KRWDZBQOSA-N 0 0 450.542 4.762 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)SC ZINC001545789331 1067085615 /nfs/dbraw/zinc/08/56/15/1067085615.db2.gz CZYVRZFRETWZKQ-LJQANCHMSA-N 0 0 472.684 4.529 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)SC ZINC001545789330 1067085811 /nfs/dbraw/zinc/08/58/11/1067085811.db2.gz CZYVRZFRETWZKQ-IBGZPJMESA-N 0 0 472.684 4.529 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546101983 1067085980 /nfs/dbraw/zinc/08/59/80/1067085980.db2.gz PAWKQWGQNVQQAC-AREMUKBSSA-N 0 0 483.588 4.622 20 0 JJADRN O=C(O[C@H]1CCOc2ccccc21)c1cc(Br)cc(I)c1 ZINC001458548192 1067086249 /nfs/dbraw/zinc/08/62/49/1067086249.db2.gz SDAUUMIQYVNFPP-HNNXBMFYSA-N 0 0 459.077 4.734 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545789574 1067086156 /nfs/dbraw/zinc/08/61/56/1067086156.db2.gz MCXXKLHVVTUCMX-HDICACEKSA-N 0 0 450.574 4.810 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450529764 1067086656 /nfs/dbraw/zinc/08/66/56/1067086656.db2.gz RCUNJCFHYXNFBI-OAQYLSRUSA-N 0 0 459.974 4.679 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC001458551047 1067087083 /nfs/dbraw/zinc/08/70/83/1067087083.db2.gz QYNGZYLTCZAWRF-SANMLTNESA-N 0 0 451.615 4.795 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545789952 1067087086 /nfs/dbraw/zinc/08/70/86/1067087086.db2.gz ZKUWLKOEIJFNEW-UXHICEINSA-N 0 0 470.662 4.972 20 0 JJADRN Cc1ncc(I)c(NCc2ccc3ccc(Br)cc3c2)n1 ZINC001458556891 1067087307 /nfs/dbraw/zinc/08/73/07/1067087307.db2.gz QCDGGLMSCAWZLW-UHFFFAOYSA-N 0 0 454.109 4.917 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)OC ZINC001545790900 1067087347 /nfs/dbraw/zinc/08/73/47/1067087347.db2.gz AQMACDGAVOLBFT-FQEVSTJZSA-N 0 0 450.986 4.806 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)CCC2=O)c1 ZINC001450535439 1067087635 /nfs/dbraw/zinc/08/76/35/1067087635.db2.gz RAFLWIADJBFBRF-UAPYVXQJSA-N 0 0 454.368 4.611 20 0 JJADRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001545790759 1067087605 /nfs/dbraw/zinc/08/76/05/1067087605.db2.gz WRRVUAGGMFTPFE-CQSZACIVSA-N 0 0 455.308 4.686 20 0 JJADRN C[C@H](C(=O)O[C@@H](C)c1cccc(Cl)c1F)N1C(=O)c2ccc(Br)cc2C1=O ZINC001458566132 1067088080 /nfs/dbraw/zinc/08/80/80/1067088080.db2.gz QZYFOZJFNDMXRO-ZJUUUORDSA-N 0 0 454.679 4.531 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O[C@@H](C)c1cccc(C)c1 ZINC001458563985 1067088129 /nfs/dbraw/zinc/08/81/29/1067088129.db2.gz XVRVFQFCVQLGIX-SFHVURJKSA-N 0 0 451.544 4.673 20 0 JJADRN C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1cccc(Cl)c1F ZINC001458566124 1067088157 /nfs/dbraw/zinc/08/81/57/1067088157.db2.gz QZYFOZJFNDMXRO-UWVGGRQHSA-N 0 0 454.679 4.531 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccccc2F)CCO1 ZINC001546102151 1067088261 /nfs/dbraw/zinc/08/82/61/1067088261.db2.gz SEYMBZXJRASUOD-MZEQIWSPSA-N 0 0 458.622 4.974 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2F)C1)OC ZINC001545791156 1067088285 /nfs/dbraw/zinc/08/82/85/1067088285.db2.gz JACYAYAFYWGBHS-OAQYLSRUSA-N 0 0 458.603 4.853 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CCN(c2ncccc2F)CC1 ZINC001458568096 1067088942 /nfs/dbraw/zinc/08/89/42/1067088942.db2.gz LAIDBBHCWUWFGM-UHFFFAOYSA-N 0 0 452.374 4.736 20 0 JJADRN C/C=C\c1ccc(OCC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 ZINC001458567977 1067088993 /nfs/dbraw/zinc/08/89/93/1067088993.db2.gz NMHARIVFWDFSQU-HYXAFXHYSA-N 0 0 458.864 4.760 20 0 JJADRN COc1ncc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1Cl ZINC001458568896 1067089099 /nfs/dbraw/zinc/08/90/99/1067089099.db2.gz SYWBNTATNLAFGH-FQEVSTJZSA-N 0 0 455.942 4.893 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccc2ccccc2c1 ZINC001458569565 1067089464 /nfs/dbraw/zinc/08/94/64/1067089464.db2.gz YGAJKBLJQBUYLS-NRFANRHFSA-N 0 0 458.514 4.942 20 0 JJADRN Cc1c(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)nnn1-c1ccc(OC(F)F)cc1 ZINC001458572732 1067089941 /nfs/dbraw/zinc/08/99/41/1067089941.db2.gz VSQZIXLJDQQCML-UHFFFAOYSA-N 0 0 454.481 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)C[C@@H]1[C@@H]1CCCO1 ZINC001545792327 1067090178 /nfs/dbraw/zinc/09/01/78/1067090178.db2.gz WODJAOINOHERCP-OTWHNJEPSA-N 0 0 457.596 4.943 20 0 JJADRN CN1Cc2ccccc2[C@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586441 1067090679 /nfs/dbraw/zinc/09/06/79/1067090679.db2.gz KGCKIOMNBUZJQX-PKTZIBPZSA-N 0 0 451.364 4.872 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)Cc2ccccc2O1 ZINC001450554207 1067090840 /nfs/dbraw/zinc/09/08/40/1067090840.db2.gz ODSRDFKYSZOAJG-MRXNPFEDSA-N 0 0 457.596 4.681 20 0 JJADRN C[C@H]1CN(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)Cc2ccccc2O1 ZINC001450554193 1067090856 /nfs/dbraw/zinc/09/08/56/1067090856.db2.gz ODSRDFKYSZOAJG-INIZCTEOSA-N 0 0 457.596 4.681 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)OC ZINC001545792678 1067090870 /nfs/dbraw/zinc/09/08/70/1067090870.db2.gz IQFMZJSVAZLBGE-UNMCSNQZSA-N 0 0 486.613 4.608 20 0 JJADRN Cc1nncn1-c1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 ZINC001458587304 1067091202 /nfs/dbraw/zinc/09/12/02/1067091202.db2.gz MHSAWWRYECDBPV-UHFFFAOYSA-N 0 0 453.296 4.763 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)c1c(F)cccc1F ZINC001458588261 1067091258 /nfs/dbraw/zinc/09/12/58/1067091258.db2.gz BIUBWKALTZKFME-UZLBHIALSA-N 0 0 450.913 4.503 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)s1)SC ZINC001545792887 1067091356 /nfs/dbraw/zinc/09/13/56/1067091356.db2.gz PSKGBHYUTSSZMY-UHFFFAOYSA-N 0 0 456.081 4.674 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001545792926 1067091380 /nfs/dbraw/zinc/09/13/80/1067091380.db2.gz QQXJAMOYBVFEBI-UHFFFAOYSA-N 0 0 457.619 4.583 20 0 JJADRN COCCCOc1ccc(C(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)cn1 ZINC001458587452 1067091394 /nfs/dbraw/zinc/09/13/94/1067091394.db2.gz OHNCUIBDCXWRES-UHFFFAOYSA-N 0 0 456.587 4.592 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)C[C@@H](C)O1 ZINC001458593445 1067091554 /nfs/dbraw/zinc/09/15/54/1067091554.db2.gz MOXPPDHTWDTEBL-KCZVDYSFSA-N 0 0 457.014 4.880 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC001546024253 1067091753 /nfs/dbraw/zinc/09/17/53/1067091753.db2.gz YWLXUZHFKIWYAD-HSZRJFAPSA-N 0 0 458.389 4.968 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001546024307 1067091902 /nfs/dbraw/zinc/09/19/02/1067091902.db2.gz AFEOBTZXWCYQKC-QGZVFWFLSA-N 0 0 499.647 4.899 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)SC ZINC001545793067 1067091881 /nfs/dbraw/zinc/09/18/81/1067091881.db2.gz VFAVBYIUILZBIS-BWKNWUBXSA-N 0 0 488.698 4.780 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1nc(Br)c2ccccn21 ZINC001458595782 1067092108 /nfs/dbraw/zinc/09/21/08/1067092108.db2.gz ABMLUAUVPRVSLM-QGZVFWFLSA-N 0 0 455.743 4.859 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccs1)OC ZINC001545793179 1067092157 /nfs/dbraw/zinc/09/21/57/1067092157.db2.gz YIKHCSACHRNVJV-QGZVFWFLSA-N 0 0 473.668 4.878 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC001450589252 1067092336 /nfs/dbraw/zinc/09/23/36/1067092336.db2.gz LMPGAKBBCRZBNX-RUZDIDTESA-N 0 0 454.567 4.790 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1C(C)C ZINC001546024341 1067092381 /nfs/dbraw/zinc/09/23/81/1067092381.db2.gz BGGXMUPHIDREJD-IBGZPJMESA-N 0 0 465.436 4.892 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1)SC ZINC001545794400 1067092419 /nfs/dbraw/zinc/09/24/19/1067092419.db2.gz CFIBBSJDFSBZHG-UHFFFAOYSA-N 0 0 498.672 4.942 20 0 JJADRN CCC(CC)(Cn1c(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C)SC ZINC001545794385 1067092450 /nfs/dbraw/zinc/09/24/50/1067092450.db2.gz BNWWGQIRFPTPHS-GOSISDBHSA-N 0 0 477.723 4.887 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2=O)ccc1F ZINC001458598668 1067092606 /nfs/dbraw/zinc/09/26/06/1067092606.db2.gz CVEGKUUHYRHBAC-JPYJTQIMSA-N 0 0 451.929 4.636 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)SC ZINC001545794578 1067092814 /nfs/dbraw/zinc/09/28/14/1067092814.db2.gz HXPZXHASYBPRSU-QGZVFWFLSA-N 0 0 481.062 4.822 20 0 JJADRN CCC(CC)(Cn1c(N2CCC(O)(c3c(F)cccc3F)CC2)nnc1C(C)(C)C)OC ZINC001545794650 1067092828 /nfs/dbraw/zinc/09/28/28/1067092828.db2.gz JZLOJWJESRAIJQ-UHFFFAOYSA-N 0 0 450.574 4.547 20 0 JJADRN O=C(c1oc(C2CC2)nc1C(F)F)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450597422 1067093049 /nfs/dbraw/zinc/09/30/49/1067093049.db2.gz CNOFWMJIAWYXHZ-BBRMVZONSA-N 0 0 455.299 4.838 20 0 JJADRN O=C(c1oc(C2CC2)nc1C(F)F)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450597448 1067093323 /nfs/dbraw/zinc/09/33/23/1067093323.db2.gz CNOFWMJIAWYXHZ-CZUORRHYSA-N 0 0 455.299 4.838 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545794693 1067093458 /nfs/dbraw/zinc/09/34/58/1067093458.db2.gz LOPRTMRQUVIGEF-MOPGFXCFSA-N 0 0 465.683 4.910 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)OCc3cn(-c4ccc(F)cc4Cl)nn3)c21 ZINC001458605217 1067093517 /nfs/dbraw/zinc/09/35/17/1067093517.db2.gz TXXHSLOOGHGZGM-UHFFFAOYSA-N 0 0 457.893 4.518 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)cn1 ZINC001450601758 1067093559 /nfs/dbraw/zinc/09/35/59/1067093559.db2.gz GNXAEWBRGGDBIY-PGRDOPGGSA-N 0 0 454.368 4.529 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)cn1 ZINC001450601774 1067093679 /nfs/dbraw/zinc/09/36/79/1067093679.db2.gz GNXAEWBRGGDBIY-XMSQKQJNSA-N 0 0 454.368 4.529 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@H]1c1ccc(OC)cc1 ZINC001458606660 1067093722 /nfs/dbraw/zinc/09/37/22/1067093722.db2.gz ZNJZSGZGJDDQAQ-UZUQRXQVSA-N 0 0 458.942 4.796 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCCC2)C1)OC ZINC001545794789 1067093678 /nfs/dbraw/zinc/09/36/78/1067093678.db2.gz OLIJDYRIFDYONQ-UHFFFAOYSA-N 0 0 472.630 4.610 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)SC ZINC001545794785 1067093724 /nfs/dbraw/zinc/09/37/24/1067093724.db2.gz OFYURLGOGZOWSS-APWZRJJASA-N 0 0 453.052 4.639 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H]21)SC ZINC001545794923 1067094067 /nfs/dbraw/zinc/09/40/67/1067094067.db2.gz RUFUBNHQSNAETL-YRXWBPOGSA-N 0 0 463.692 4.959 20 0 JJADRN CCC(CC)(Cn1c(N2CCC(c3nc(-c4ccccn4)no3)CC2)nnc1C(C)(C)C)OC ZINC001545794926 1067094084 /nfs/dbraw/zinc/09/40/84/1067094084.db2.gz RVZWKCURFPUQEQ-UHFFFAOYSA-N 0 0 467.618 4.610 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450603484 1067094207 /nfs/dbraw/zinc/09/42/07/1067094207.db2.gz IQYBHLFTZPQCQM-HRAATJIYSA-N 0 0 455.352 4.597 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)SC ZINC001545794933 1067094681 /nfs/dbraw/zinc/09/46/81/1067094681.db2.gz SDUOVHZVIFCVAC-YADARESESA-N 0 0 492.661 4.692 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc1 ZINC001458611938 1067094928 /nfs/dbraw/zinc/09/49/28/1067094928.db2.gz ZZGPUSHFEVIVRB-NRFANRHFSA-N 0 0 459.384 4.722 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545795117 1067095081 /nfs/dbraw/zinc/09/50/81/1067095081.db2.gz YCMVCMXMSIJYJF-RLWLMLJZSA-N 0 0 474.621 4.657 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)SC ZINC001545795093 1067095143 /nfs/dbraw/zinc/09/51/43/1067095143.db2.gz XAWOCKPIUSVZCV-OAQYLSRUSA-N 0 0 482.119 4.847 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2CCOC2CCCCCC2)CCO1 ZINC001546102370 1067095255 /nfs/dbraw/zinc/09/52/55/1067095255.db2.gz XCBYOABZTRHUOA-VWLOTQADSA-N 0 0 460.594 4.741 20 0 JJADRN C[C@H](CC(=O)OCc1ccccc1)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001545796199 1067095558 /nfs/dbraw/zinc/09/55/58/1067095558.db2.gz YCOBTWXZRYULMB-UYAOXDASSA-N 0 0 452.551 4.554 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NCCCNC(=O)C(C)C)c2nc3ccccc3s2)c1 ZINC001545795180 1067095587 /nfs/dbraw/zinc/09/55/87/1067095587.db2.gz AGHNINUWPBOZNM-RGEXLXHISA-N 0 0 451.592 4.514 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCC2(c3ccc(F)cc3Cl)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458612238 1067095398 /nfs/dbraw/zinc/09/53/98/1067095398.db2.gz ZUSDBKTVCNVTPY-VLIAUNLRSA-N 0 0 453.316 4.639 20 0 JJADRN O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450610390 1067095561 /nfs/dbraw/zinc/09/55/61/1067095561.db2.gz QUMQRVCEJONGMW-FLLPFDRLSA-N 0 0 458.396 4.717 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450611142 1067095577 /nfs/dbraw/zinc/09/55/77/1067095577.db2.gz SCNSFUUBTAJTKY-WZNJLHPQSA-N 0 0 458.396 4.919 20 0 JJADRN C[C@@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458613030 1067095559 /nfs/dbraw/zinc/09/55/59/1067095559.db2.gz GGFHZRAQMXQAEJ-LLVKDONJSA-N 0 0 454.832 4.864 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)O[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612840 1067095708 /nfs/dbraw/zinc/09/57/08/1067095708.db2.gz DNGVKCDHHNMWBA-ZDUSSCGKSA-N 0 0 454.470 4.692 20 0 JJADRN C[C@@H](OC(=O)CSC(=S)N1CCC(C)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458613204 1067095789 /nfs/dbraw/zinc/09/57/89/1067095789.db2.gz ICSGBXRRHDESHQ-CYBMUJFWSA-N 0 0 459.559 4.946 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCO2)OC ZINC001545796323 1067095859 /nfs/dbraw/zinc/09/58/59/1067095859.db2.gz BCXOBQNUZMQQAN-DENIHFKCSA-N 0 0 472.630 4.767 20 0 JJADRN Cc1nc2ccccc2n1CC(=O)Nc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001450611599 1067096137 /nfs/dbraw/zinc/09/61/37/1067096137.db2.gz RWAAQQGXLXHGNN-UHFFFAOYSA-N 0 0 455.584 4.554 20 0 JJADRN O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450616214 1067096523 /nfs/dbraw/zinc/09/65/23/1067096523.db2.gz YCAGVHJHNNXELX-XPNTWCBSSA-N 0 0 458.396 4.929 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1)OC ZINC001545796659 1067096641 /nfs/dbraw/zinc/09/66/41/1067096641.db2.gz LMLRJZCVIPRLLV-DHIUTWEWSA-N 0 0 471.621 4.836 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](OC)C(C)(C)C1)SC ZINC001545796789 1067097039 /nfs/dbraw/zinc/09/70/39/1067097039.db2.gz PPVNVIXPEXCYAT-CEXWTWQISA-N 0 0 452.709 4.980 20 0 JJADRN CCC(CC)(Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545796825 1067097083 /nfs/dbraw/zinc/09/70/83/1067097083.db2.gz QOWRZRQPPHSUIX-QGZVFWFLSA-N 0 0 492.690 4.694 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc1 ZINC001450628187 1067097035 /nfs/dbraw/zinc/09/70/35/1067097035.db2.gz RLURDHDVXLQPMC-SFHVURJKSA-N 0 0 458.864 4.517 20 0 JJADRN CCC(CC)(Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cc(Br)c[nH]1)OC ZINC001545796989 1067097551 /nfs/dbraw/zinc/09/75/51/1067097551.db2.gz VFJBPPJDRMXXNN-HNNXBMFYSA-N 0 0 484.349 4.761 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001546024592 1067097683 /nfs/dbraw/zinc/09/76/83/1067097683.db2.gz KIJKSPAELOEZBG-FQEVSTJZSA-N 0 0 477.447 4.654 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545796999 1067097676 /nfs/dbraw/zinc/09/76/76/1067097676.db2.gz VTSVKMRLGBHAPV-BRWVUGGUSA-N 0 0 489.583 4.848 20 0 JJADRN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001450645408 1067098513 /nfs/dbraw/zinc/09/85/13/1067098513.db2.gz QRIHORRFOAODPA-HSZRJFAPSA-N 0 0 451.611 4.522 20 0 JJADRN O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)N1CC[C@@H](c2ccncc2)C1 ZINC001450642493 1067098657 /nfs/dbraw/zinc/09/86/57/1067098657.db2.gz SNZFODZXFIVBOX-GFCCVEGCSA-N 0 0 456.255 4.618 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2CCn3c(Cl)ccc3[C@@H]2C)cc1OCC ZINC001450658755 1067099367 /nfs/dbraw/zinc/09/93/67/1067099367.db2.gz WJNJTWKSLKSEKM-ZDUSSCGKSA-N 0 0 455.780 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC001450657191 1067099395 /nfs/dbraw/zinc/09/93/95/1067099395.db2.gz GHLFSBZFLIAPBZ-PKTZIBPZSA-N 0 0 459.546 4.584 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001450657556 1067099413 /nfs/dbraw/zinc/09/94/13/1067099413.db2.gz GYIZPFBZCZDATE-UHFFFAOYSA-N 0 0 452.274 4.669 20 0 JJADRN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCCC[C@@H]1c1ccccc1 ZINC001458633966 1067099425 /nfs/dbraw/zinc/09/94/25/1067099425.db2.gz VTXMREOGZHLBLC-HXUWFJFHSA-N 0 0 455.352 4.579 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545798365 1067099561 /nfs/dbraw/zinc/09/95/61/1067099561.db2.gz JVVPJDPDUXZUQQ-PZJWPPBQSA-N 0 0 451.656 4.511 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1C)OC ZINC001545798305 1067099587 /nfs/dbraw/zinc/09/95/87/1067099587.db2.gz JBCKVSKHGHIRJR-BEFAXECRSA-N 0 0 452.441 4.876 20 0 JJADRN CCC(CC)[C@H](CCn1c(C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545798364 1067099635 /nfs/dbraw/zinc/09/96/35/1067099635.db2.gz JVVPJDPDUXZUQQ-FPOVZHCZSA-N 0 0 451.656 4.511 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC001450663528 1067099803 /nfs/dbraw/zinc/09/98/03/1067099803.db2.gz UENKZQXPQBPXNO-RPBOFIJWSA-N 0 0 459.571 4.564 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC001458646074 1067099846 /nfs/dbraw/zinc/09/98/46/1067099846.db2.gz BVUMWHXHPGZXCA-UHFFFAOYSA-N 0 0 455.917 4.929 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)OC ZINC001545798482 1067100678 /nfs/dbraw/zinc/10/06/78/1067100678.db2.gz LRCHLEQQLQFSST-DNQXCXABSA-N 0 0 487.595 4.981 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001546024922 1067100705 /nfs/dbraw/zinc/10/07/05/1067100705.db2.gz VLNIRHRMOUXHAA-UHFFFAOYSA-N 0 0 461.326 4.633 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)Nc3ccccc3OCC(=O)Nc3cccnc3)ccc2c1 ZINC001458652050 1067100656 /nfs/dbraw/zinc/10/06/56/1067100656.db2.gz PREXMWFQWBNWBV-LCYFTJDESA-N 0 0 453.498 4.913 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cs2)CC1)OC ZINC001545798487 1067100749 /nfs/dbraw/zinc/10/07/49/1067100749.db2.gz LSACHCWWRYRDDL-FQEVSTJZSA-N 0 0 472.659 4.779 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545798584 1067101224 /nfs/dbraw/zinc/10/12/24/1067101224.db2.gz NTCLNUSEGXZZDY-YDIMBITNSA-N 0 0 466.630 4.790 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1)OC ZINC001545798603 1067101274 /nfs/dbraw/zinc/10/12/74/1067101274.db2.gz 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/nfs/dbraw/zinc/11/74/71/1067117471.db2.gz KLUZGKSYUVLOSQ-CRAIPNDOSA-N 0 0 456.336 4.977 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)N3CC=C(c4cccc(Br)c4)CC3)c2)o1 ZINC001458723974 1067117533 /nfs/dbraw/zinc/11/75/33/1067117533.db2.gz JMVVWIUUEBZPSQ-UHFFFAOYSA-N 0 0 454.324 4.575 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)[C@H](O)c1ccccc1 ZINC001450761831 1067117659 /nfs/dbraw/zinc/11/76/59/1067117659.db2.gz MBYOINDTYIYTNR-KKSFZXQISA-N 0 0 454.452 4.534 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@H](CO)C2CCCC2)c1=S ZINC001450761276 1067117671 /nfs/dbraw/zinc/11/76/71/1067117671.db2.gz GSLXYTMCZZEZEQ-LJQANCHMSA-N 0 0 451.036 4.592 20 0 JJADRN O=C(CCC(=O)c1c(F)cccc1F)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 ZINC001450771446 1067118308 /nfs/dbraw/zinc/11/83/08/1067118308.db2.gz HKLHFQUIDAIELA-UHFFFAOYSA-N 0 0 458.486 4.508 20 0 JJADRN O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1cc(-c2ccccc2)ccc1Cl ZINC001450770323 1067118377 /nfs/dbraw/zinc/11/83/77/1067118377.db2.gz QGHMTOAWYNBLGG-FQEVSTJZSA-N 0 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ZINC001458727561 1067120245 /nfs/dbraw/zinc/12/02/45/1067120245.db2.gz PTNBNPJYLJYGNP-ZDUSSCGKSA-N 0 0 451.352 4.613 20 0 JJADRN CC(C)n1cc2c(n1)[C@H](NC(=O)[C@@]1(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001458729585 1067121535 /nfs/dbraw/zinc/12/15/35/1067121535.db2.gz UGGZCUPRMLCMDS-IPVFLDMMSA-N 0 0 452.599 4.583 20 0 JJADRN Cn1c(NC(=O)Cc2ccc(Br)c(Br)c2)nc2cccc(Cl)c21 ZINC001458729749 1067121596 /nfs/dbraw/zinc/12/15/96/1067121596.db2.gz MBDCKHFGFCCFST-UHFFFAOYSA-N 0 0 457.553 4.933 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCc1c[nH]c2cccc(Br)c12 ZINC001450794579 1067121752 /nfs/dbraw/zinc/12/17/52/1067121752.db2.gz ZPHFGEUWTYSBSG-UHFFFAOYSA-N 0 0 458.303 4.795 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC001546026206 1067121868 /nfs/dbraw/zinc/12/18/68/1067121868.db2.gz HVBZHMGWLPDQLI-UHFFFAOYSA-N 0 0 483.016 4.991 20 0 JJADRN CCCN1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)c2cc(F)ccc21 ZINC001450797034 1067122658 /nfs/dbraw/zinc/12/26/58/1067122658.db2.gz PRSNPFXMLZKPFL-UHFFFAOYSA-N 0 0 455.408 4.519 20 0 JJADRN Cn1c(=O)c2c3c(sc2nc1SCCOc1ccccc1Br)CCCC3 ZINC001458731802 1067122850 /nfs/dbraw/zinc/12/28/50/1067122850.db2.gz NHBHCRZIBDTQFJ-UHFFFAOYSA-N 0 0 451.411 4.807 20 0 JJADRN COc1ccc([C@@H](CCO)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 ZINC001545806365 1067122992 /nfs/dbraw/zinc/12/29/92/1067122992.db2.gz FXLVZFYCLBHNAK-HXUWFJFHSA-N 0 0 450.564 4.603 20 0 JJADRN CCc1c(NC(=O)C2(c3ccc(Br)cc3)CCC2)nnn1Cc1ccc(F)cc1 ZINC001450802414 1067123397 /nfs/dbraw/zinc/12/33/97/1067123397.db2.gz QTNKHWKPMXCOTH-UHFFFAOYSA-N 0 0 457.347 4.851 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Oc1cccc2c1OCCO2 ZINC001458731862 1067123504 /nfs/dbraw/zinc/12/35/04/1067123504.db2.gz XNPCZKLAQNBDLN-CQSZACIVSA-N 0 0 452.288 4.627 20 0 JJADRN C[S@](=O)CCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F ZINC001458733181 1067124119 /nfs/dbraw/zinc/12/41/19/1067124119.db2.gz PMJCHLJDPWPNIZ-PXCCYHPASA-N 0 0 457.379 4.988 20 0 JJADRN COc1ccc(/C=C2\N=C(S[C@H](C)c3noc(C)n3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458733770 1067124161 /nfs/dbraw/zinc/12/41/61/1067124161.db2.gz UAINIBRZDVUNCA-FAPYRAKZSA-N 0 0 450.520 4.633 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N[C@H]2CCCC2(F)F)cc1 ZINC001450817305 1067124931 /nfs/dbraw/zinc/12/49/31/1067124931.db2.gz WDIYEGAEVAGKQA-KRWDZBQOSA-N 0 0 453.283 4.628 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001546026333 1067125159 /nfs/dbraw/zinc/12/51/59/1067125159.db2.gz LOWOIVCLNGDVNF-HXUWFJFHSA-N 0 0 489.414 4.738 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001546026361 1067125655 /nfs/dbraw/zinc/12/56/55/1067125655.db2.gz MJYWMXBAUSXMNZ-LJQANCHMSA-N 0 0 488.076 4.625 20 0 JJADRN COC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1cccc(Cl)c1 ZINC001450824734 1067126321 /nfs/dbraw/zinc/12/63/21/1067126321.db2.gz INGBULBXDPHXEL-JOCHJYFZSA-N 0 0 458.967 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC001450824887 1067126502 /nfs/dbraw/zinc/12/65/02/1067126502.db2.gz AMEXKLKDUJPOPM-DHIUTWEWSA-N 0 0 453.583 4.606 20 0 JJADRN CC[C@H](c1nnc(S[C@H]2CCO[C@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)N(C)C ZINC001458738186 1067126917 /nfs/dbraw/zinc/12/69/17/1067126917.db2.gz RXLLMDDALBNOHZ-BDTNDASRSA-N 0 0 453.612 4.696 20 0 JJADRN COc1cc(Cl)c(C)cc1-n1c(S[C@@H](C)c2nccc(N)n2)nc2ccccc2c1=O ZINC001458737444 1067126972 /nfs/dbraw/zinc/12/69/72/1067126972.db2.gz WZDCGNUTYCKMQA-ZDUSSCGKSA-N 0 0 453.955 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC001458737434 1067126980 /nfs/dbraw/zinc/12/69/80/1067126980.db2.gz XWNHMMKOIXYNOQ-MRXNPFEDSA-N 0 0 455.584 4.650 20 0 JJADRN COc1cc(Cl)c(C)cc1-n1c(S[C@H](C)c2nccc(N)n2)nc2ccccc2c1=O ZINC001458737435 1067127065 /nfs/dbraw/zinc/12/70/65/1067127065.db2.gz WZDCGNUTYCKMQA-CYBMUJFWSA-N 0 0 453.955 4.582 20 0 JJADRN Cc1ccc(CC(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001450828598 1067127170 /nfs/dbraw/zinc/12/71/70/1067127170.db2.gz JOONJCBKQFCFEF-IRLDBZIGSA-N 0 0 451.007 4.502 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001546026596 1067127542 /nfs/dbraw/zinc/12/75/42/1067127542.db2.gz UFSPMYWHZLJCGL-UHFFFAOYSA-N 0 0 479.463 4.961 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001546026597 1067127624 /nfs/dbraw/zinc/12/76/24/1067127624.db2.gz UGERXEVCENZBBL-UHFFFAOYSA-N 0 0 487.645 4.715 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001546026593 1067127658 /nfs/dbraw/zinc/12/76/58/1067127658.db2.gz UBMMHELRSXYFBV-AWEZNQCLSA-N 0 0 494.389 4.876 20 0 JJADRN C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450831952 1067127668 /nfs/dbraw/zinc/12/76/68/1067127668.db2.gz DRYGESATTGNHIQ-HUUCEWRRSA-N 0 0 458.496 4.885 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001546026601 1067127673 /nfs/dbraw/zinc/12/76/73/1067127673.db2.gz UJYKJGGSZGRQKE-QFIPXVFZSA-N 0 0 477.049 4.704 20 0 JJADRN Cc1cccnc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC001458740410 1067128347 /nfs/dbraw/zinc/12/83/47/1067128347.db2.gz YAHMWYPGWFLCMV-UHFFFAOYSA-N 0 0 450.951 4.532 20 0 JJADRN CC(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450833741 1067128328 /nfs/dbraw/zinc/12/83/28/1067128328.db2.gz XKLZMNOQGKJCHK-NPBUNYCVSA-N 0 0 458.381 4.663 20 0 JJADRN CC(=O)N/C(=C\c1cccs1)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450833733 1067128339 /nfs/dbraw/zinc/12/83/39/1067128339.db2.gz XKLZMNOQGKJCHK-FUDBJYBQSA-N 0 0 458.381 4.663 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001450836518 1067128664 /nfs/dbraw/zinc/12/86/64/1067128664.db2.gz VXOHUDXEEZWNRI-RBUKOAKNSA-N 0 0 457.398 4.918 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1csc(Br)c1 ZINC001546026689 1067128684 /nfs/dbraw/zinc/12/86/84/1067128684.db2.gz XUXPBHGXSKPEMU-UHFFFAOYSA-N 0 0 453.406 4.858 20 0 JJADRN CC(C)CCn1c2nnc(SCC(=O)Cc3ccccc3Cl)n2c2ccccc2c1=O ZINC001458741012 1067128723 /nfs/dbraw/zinc/12/87/23/1067128723.db2.gz BRTQRUBKKZOAOC-UHFFFAOYSA-N 0 0 454.983 4.648 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)c1ccc(I)c(O)c1)C(F)(F)F ZINC001450837921 1067129515 /nfs/dbraw/zinc/12/95/15/1067129515.db2.gz SFWDQNLXXZPVDL-SECBINFHSA-N 0 0 451.182 4.579 20 0 JJADRN CCOc1ccc(-n2c(SC[C@H](C)CN3CCOCC3)nnc2-c2cccc(C)c2)cc1 ZINC001458744739 1067129602 /nfs/dbraw/zinc/12/96/02/1067129602.db2.gz FIQWLYGWTWMNJF-HXUWFJFHSA-N 0 0 452.624 4.702 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC3CCC3)n2-c2ccccc2)c1 ZINC001458745407 1067129720 /nfs/dbraw/zinc/12/97/20/1067129720.db2.gz FKKNSQCULAQEIX-UHFFFAOYSA-N 0 0 456.637 4.857 20 0 JJADRN C[C@H]1Oc2c(cccc2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)NC1=O ZINC001450840245 1067130389 /nfs/dbraw/zinc/13/03/89/1067130389.db2.gz YDFSCNDSEAMSPL-OPAMFIHVSA-N 0 0 450.922 4.747 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H]3C[C@H]4C=C[C@@H]3C4)n2CC(C)C)c1 ZINC001458749296 1067130961 /nfs/dbraw/zinc/13/09/61/1067130961.db2.gz NYTFLGLXPJXQST-ZVDOUQERSA-N 0 0 474.696 4.936 20 0 JJADRN Nn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccccc1Br ZINC001458751273 1067131538 /nfs/dbraw/zinc/13/15/38/1067131538.db2.gz WBHOQUJAMOGSPA-UHFFFAOYSA-N 0 0 459.291 4.655 20 0 JJADRN CC(=O)Oc1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 ZINC001458750628 1067131677 /nfs/dbraw/zinc/13/16/77/1067131677.db2.gz JMFIGALGWRQGLN-UHFFFAOYSA-N 0 0 455.333 4.861 20 0 JJADRN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)N(C)Cc4ccc(F)cc4)n3C)cc2C1 ZINC001458753615 1067132157 /nfs/dbraw/zinc/13/21/57/1067132157.db2.gz ULLUWZQQDAKPMU-HNNXBMFYSA-N 0 0 458.628 4.948 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001546026763 1067132391 /nfs/dbraw/zinc/13/23/91/1067132391.db2.gz ZYPPRKWUWTVNQR-HXUWFJFHSA-N 0 0 470.658 4.568 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001450858446 1067133046 /nfs/dbraw/zinc/13/30/46/1067133046.db2.gz OPBYCJASYKBDPF-NFBKMPQASA-N 0 0 456.583 4.974 20 0 JJADRN CC(C)Oc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccn1 ZINC001546026866 1067133961 /nfs/dbraw/zinc/13/39/61/1067133961.db2.gz DMLWBYXIWLJBJO-SHQCIBLASA-N 0 0 457.574 4.665 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001458762923 1067134151 /nfs/dbraw/zinc/13/41/51/1067134151.db2.gz NYIQCIHFPQPXCB-IYERYRBDSA-N 0 0 458.599 4.935 20 0 JJADRN COc1ccc(NC(=O)NC(=O)COc2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC001458764304 1067134805 /nfs/dbraw/zinc/13/48/05/1067134805.db2.gz AHJIWTLZEBUGCH-UHFFFAOYSA-N 0 0 455.308 4.852 20 0 JJADRN Cc1csc([C@H](C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 ZINC001458764260 1067134830 /nfs/dbraw/zinc/13/48/30/1067134830.db2.gz WWOBFUBFFUSHKD-RLLPEYFOSA-N 0 0 455.668 4.861 20 0 JJADRN CCOc1ccc(-n2c(SC[C@H]3CCCN(C)C3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC001458764760 1067134861 /nfs/dbraw/zinc/13/48/61/1067134861.db2.gz CEKHIPRHHWHCTH-QGZVFWFLSA-N 0 0 456.999 4.947 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001545809152 1067134996 /nfs/dbraw/zinc/13/49/96/1067134996.db2.gz WHMCEOLPAAKWJM-UKRRQHHQSA-N 0 0 453.848 4.806 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCC(=O)[C@@H]3CCOC3)n2-c2ccccc2C)cc1 ZINC001458766727 1067135389 /nfs/dbraw/zinc/13/53/89/1067135389.db2.gz GXLREEATGLROBN-HXUWFJFHSA-N 0 0 450.608 4.787 20 0 JJADRN CC(C)Sc1ccc(COC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001458767285 1067135921 /nfs/dbraw/zinc/13/59/21/1067135921.db2.gz GAFZOTOALXVUCR-UHFFFAOYSA-N 0 0 457.411 4.608 20 0 JJADRN O=C1[C@H](Sc2nc3cc(Br)cnc3[nH]2)CCN1c1ccc(Cl)cc1Cl ZINC001458767409 1067135959 /nfs/dbraw/zinc/13/59/59/1067135959.db2.gz HOTIXISYGZDSLQ-CYBMUJFWSA-N 0 0 458.168 4.925 20 0 JJADRN CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001458766965 1067135980 /nfs/dbraw/zinc/13/59/80/1067135980.db2.gz JCELLQJMGAOQCU-YKSBVNFPSA-N 0 0 454.636 4.687 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)c3cc(Cl)nc(C(C)(C)C)c3)nc3n2CCC3)cc1 ZINC001458768286 1067136001 /nfs/dbraw/zinc/13/60/01/1067136001.db2.gz GANRNQJHXRPAHH-UHFFFAOYSA-N 0 0 452.942 4.667 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001450913838 1067136165 /nfs/dbraw/zinc/13/61/65/1067136165.db2.gz XIVTVLWQFCRULU-RTBURBONSA-N 0 0 468.962 4.683 20 0 JJADRN Cc1nc(CCC(=O)NCc2ccnc(OC(C)C)c2)oc1-c1ccc(Br)cc1 ZINC001546027283 1067136213 /nfs/dbraw/zinc/13/62/13/1067136213.db2.gz UFKSKMJOEPGPHD-UHFFFAOYSA-N 0 0 458.356 4.844 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)cc1OC ZINC001450938417 1067136816 /nfs/dbraw/zinc/13/68/16/1067136816.db2.gz DNQICDQISCWMOW-UHFFFAOYSA-N 0 0 455.979 4.538 20 0 JJADRN Cc1cccnc1NC(=O)CCNC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001450953201 1067136836 /nfs/dbraw/zinc/13/68/36/1067136836.db2.gz BHIDSOMHQYFVGG-NRFANRHFSA-N 0 0 458.345 4.962 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2nccnc2C)C1 ZINC001546103327 1067137205 /nfs/dbraw/zinc/13/72/05/1067137205.db2.gz HCHPZDRWSQZBJU-IBGZPJMESA-N 0 0 452.578 4.915 20 0 JJADRN COc1ccccc1-n1c(=O)c2ccccc2nc1SC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458769764 1067137229 /nfs/dbraw/zinc/13/72/29/1067137229.db2.gz MIVUYSWLDNAONB-AUUYWEPGSA-N 0 0 450.482 4.986 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)NC3(CC(=O)OC(C)(C)C)CCOCC3)oc21 ZINC001450953832 1067137279 /nfs/dbraw/zinc/13/72/79/1067137279.db2.gz XIIXLKKEVOLZDZ-UHFFFAOYSA-N 0 0 452.345 4.515 20 0 JJADRN Cc1cccnc1NC(=O)CCNC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001450957853 1067137412 /nfs/dbraw/zinc/13/74/12/1067137412.db2.gz IZUCSSIOGNKBSB-OAQYLSRUSA-N 0 0 458.345 4.962 20 0 JJADRN O=C(CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)Nc1ncc[nH]1 ZINC001450954499 1067137444 /nfs/dbraw/zinc/13/74/44/1067137444.db2.gz KOBDZEIJKJDKMI-UHFFFAOYSA-N 0 0 453.713 4.921 20 0 JJADRN CCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 ZINC001458771109 1067137706 /nfs/dbraw/zinc/13/77/06/1067137706.db2.gz PXAVSKSHIIRCOH-UHFFFAOYSA-N 0 0 458.605 4.770 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)C1CCCCC1 ZINC001450981999 1067137829 /nfs/dbraw/zinc/13/78/29/1067137829.db2.gz CSQBAOPHEYXUCB-LJQANCHMSA-N 0 0 455.521 4.977 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001546027670 1067138043 /nfs/dbraw/zinc/13/80/43/1067138043.db2.gz IBCFQGQXBPZRDK-OAQYLSRUSA-N 0 0 454.571 4.586 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001450987059 1067138075 /nfs/dbraw/zinc/13/80/75/1067138075.db2.gz QXEPRPHLGMCFDR-AVRDEDQJSA-N 0 0 455.521 4.977 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC001450994859 1067138667 /nfs/dbraw/zinc/13/86/67/1067138667.db2.gz SMRGKASCYWYBEV-SJCJKPOMSA-N 0 0 454.162 4.738 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC001450994863 1067138681 /nfs/dbraw/zinc/13/86/81/1067138681.db2.gz SMRGKASCYWYBEV-YVEFUNNKSA-N 0 0 454.162 4.738 20 0 JJADRN C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCCNC(=O)OCC(F)(F)F)[C@H]1C ZINC001458772308 1067138957 /nfs/dbraw/zinc/13/89/57/1067138957.db2.gz ARPNWKWEOPFVIE-KEYYUXOJSA-N 0 0 457.518 4.774 20 0 JJADRN CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC001450997296 1067139086 /nfs/dbraw/zinc/13/90/86/1067139086.db2.gz WCKTUQVIIXYLIB-UHFFFAOYSA-N 0 0 454.502 4.503 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)cc2)cc1C ZINC001451026782 1067139872 /nfs/dbraw/zinc/13/98/72/1067139872.db2.gz BFYORKFJUPNUCP-IFMALSPDSA-N 0 0 470.616 4.816 20 0 JJADRN COc1ccc(/C=C2\N=C(SCO[C@H]3CCCOC3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC001458775249 1067139903 /nfs/dbraw/zinc/13/99/03/1067139903.db2.gz KMCPTEGEXKZQBT-MQXJPVLKSA-N 0 0 452.576 4.942 20 0 JJADRN Cc1cc(C)cc(-n2c(SCC(=O)NCCc3ccccc3C)nc3ccccc3c2=O)c1 ZINC001458776021 1067140094 /nfs/dbraw/zinc/14/00/94/1067140094.db2.gz DPSQMAWCVNNUMU-UHFFFAOYSA-N 0 0 457.599 4.762 20 0 JJADRN CCn1c(SCC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)nnc1-c1cccc(C)c1 ZINC001458775489 1067140699 /nfs/dbraw/zinc/14/06/99/1067140699.db2.gz KILQFLCXNBJBMM-SFTDATJTSA-N 0 0 454.571 4.541 20 0 JJADRN COc1ccc(-n2c(S[C@H]3CCCN(C)C3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC001458775384 1067140708 /nfs/dbraw/zinc/14/07/08/1067140708.db2.gz NGMAXDSDOHIJSC-NRFANRHFSA-N 0 0 450.608 4.953 20 0 JJADRN CC[C@H]1C[C@@H](CC(=O)Oc2ccc(I)c(Br)c2)CCO1 ZINC001458776058 1067141203 /nfs/dbraw/zinc/14/12/03/1067141203.db2.gz MLHOGSPWIASBQP-QWRGUYRKSA-N 0 0 453.114 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CSc2nc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC001451035419 1067141379 /nfs/dbraw/zinc/14/13/79/1067141379.db2.gz WIDOVXGBZKFXCW-IBGZPJMESA-N 0 0 453.564 4.741 20 0 JJADRN COc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1Cl ZINC001458777253 1067141881 /nfs/dbraw/zinc/14/18/81/1067141881.db2.gz SERXMPAHAPBFOO-ZBFHGGJFSA-N 0 0 458.967 4.601 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001546027883 1067141925 /nfs/dbraw/zinc/14/19/25/1067141925.db2.gz OTWZSGLZKQOPLO-MRXNPFEDSA-N 0 0 465.436 4.894 20 0 JJADRN CC[C@H](C)CC[C@H](O)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451048737 1067143311 /nfs/dbraw/zinc/14/33/11/1067143311.db2.gz PYXRCJLHXXTRLW-AGOPTVSRSA-N 0 0 450.595 4.612 20 0 JJADRN O=S(=O)(CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1 ZINC001458781601 1067143491 /nfs/dbraw/zinc/14/34/91/1067143491.db2.gz JGXYDPKPWSFERP-UHFFFAOYSA-N 0 0 454.552 4.607 20 0 JJADRN CCc1ccc(OCc2nnc(S[C@@H]3CCCN(C)C3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC001458780575 1067143522 /nfs/dbraw/zinc/14/35/22/1067143522.db2.gz IGJDDVFLXFKBNK-PGRDOPGGSA-N 0 0 450.608 4.742 20 0 JJADRN CCn1c(SC[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nnc1-c1cccc(C)c1 ZINC001458780625 1067143548 /nfs/dbraw/zinc/14/35/48/1067143548.db2.gz NCHHXPFQMAJAEZ-YADARESESA-N 0 0 458.628 4.782 20 0 JJADRN CN(C)c1ccc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1C=O ZINC001451049171 1067144147 /nfs/dbraw/zinc/14/41/47/1067144147.db2.gz QZCWJSNHARHMEO-UHFFFAOYSA-N 0 0 451.567 4.932 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 ZINC001458780985 1067144051 /nfs/dbraw/zinc/14/40/51/1067144051.db2.gz QYSDVLSUPSWYLY-UHFFFAOYSA-N 0 0 453.589 4.851 20 0 JJADRN Cc1cc(C)cc(-n2c(S[C@H](C)C(=O)NCCc3ccccc3)nc3ccccc3c2=O)c1 ZINC001458780723 1067144094 /nfs/dbraw/zinc/14/40/94/1067144094.db2.gz OCGCFVCQBFTRAC-HXUWFJFHSA-N 0 0 457.599 4.842 20 0 JJADRN COCCSCCCSc1nnc2n1c1ccccc1c(=O)n2-c1cc(C)ccc1C ZINC001458782536 1067144637 /nfs/dbraw/zinc/14/46/37/1067144637.db2.gz QHOHEHBDHNXLSU-UHFFFAOYSA-N 0 0 454.621 4.512 20 0 JJADRN CCOc1ccc(-n2c(S[C@@H](C(=O)OC(C)(C)C)C3CC3)nnc2-c2ccncc2)cc1 ZINC001458782582 1067144674 /nfs/dbraw/zinc/14/46/74/1067144674.db2.gz KNDHDIPFRCJNPA-HXUWFJFHSA-N 0 0 452.580 4.940 20 0 JJADRN COCCCn1c(SC[C@@H]2CC[C@@H](c3ccccc3)C2)nc2cc(C(=O)OC)ccc2c1=O ZINC001458782700 1067144808 /nfs/dbraw/zinc/14/48/08/1067144808.db2.gz SZFHCPZEMFNBSY-UYAOXDASSA-N 0 0 466.603 4.896 20 0 JJADRN CC(=O)[C@H](Cc1c(F)cccc1F)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC001458782727 1067145165 /nfs/dbraw/zinc/14/51/65/1067145165.db2.gz ZFMASJBOKJGTSL-QFIPXVFZSA-N 0 0 450.514 4.959 20 0 JJADRN Cc1cccnc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC001458784164 1067145179 /nfs/dbraw/zinc/14/51/79/1067145179.db2.gz XXZCKYJILWLEJV-UHFFFAOYSA-N 0 0 450.955 4.725 20 0 JJADRN COC(=O)C(C)(C)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC001458783085 1067145307 /nfs/dbraw/zinc/14/53/07/1067145307.db2.gz UFIBVTAHBXLZSH-AWEZNQCLSA-N 0 0 458.971 4.540 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001451104010 1067146095 /nfs/dbraw/zinc/14/60/95/1067146095.db2.gz DMOPTMJXKMLIRV-IRLDBZIGSA-N 0 0 458.599 4.686 20 0 JJADRN O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(-c2cccs2)nn1Cc1ccccc1 ZINC001451106504 1067146561 /nfs/dbraw/zinc/14/65/61/1067146561.db2.gz HZWDIYNQTZZIRR-UHFFFAOYSA-N 0 0 450.951 4.682 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110422 1067147532 /nfs/dbraw/zinc/14/75/32/1067147532.db2.gz NVGSRLZLNRBBEG-YZXAJQSBSA-N 0 0 462.540 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC001451120438 1067147557 /nfs/dbraw/zinc/14/75/57/1067147557.db2.gz WOQGZEIHTJENFC-UGKGYDQZSA-N 0 0 453.583 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2noc(-c3cccc(F)c3)n2)C1 ZINC001451120673 1067147609 /nfs/dbraw/zinc/14/76/09/1067147609.db2.gz XJMGGXYLUCWKCD-PKOBYXMFSA-N 0 0 458.534 4.518 20 0 JJADRN CCOc1ccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC001458790281 1067148024 /nfs/dbraw/zinc/14/80/24/1067148024.db2.gz FGBBTFGIJVGFSO-KRWDZBQOSA-N 0 0 452.580 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 ZINC001451124029 1067148144 /nfs/dbraw/zinc/14/81/44/1067148144.db2.gz OZGGNSGJACEUPH-LPHOPBHVSA-N 0 0 458.530 4.574 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC001546103822 1067148693 /nfs/dbraw/zinc/14/86/93/1067148693.db2.gz XYBMQWSNRZZWQV-FCHUYYIVSA-N 0 0 453.631 4.601 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1OC ZINC001458790951 1067148698 /nfs/dbraw/zinc/14/86/98/1067148698.db2.gz CBUOCQOYSAMDJQ-AWEZNQCLSA-N 0 0 452.536 4.513 20 0 JJADRN O=C(CSc1ccc2ccccc2n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001458792994 1067148734 /nfs/dbraw/zinc/14/87/34/1067148734.db2.gz CAKMQFJEKUDFHU-UHFFFAOYSA-N 0 0 455.605 4.530 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC001458794719 1067149162 /nfs/dbraw/zinc/14/91/62/1067149162.db2.gz RLAAZBUOUAWHIH-GFCCVEGCSA-N 0 0 456.549 4.884 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451139059 1067149411 /nfs/dbraw/zinc/14/94/11/1067149411.db2.gz NGACKVYBGIBVSB-YESZJQIVSA-N 0 0 451.405 4.831 20 0 JJADRN CCc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn(C)nc2Br)cc1 ZINC001458795859 1067150015 /nfs/dbraw/zinc/15/00/15/1067150015.db2.gz YJAHPJUTCJVPBH-UHFFFAOYSA-N 0 0 455.381 4.736 20 0 JJADRN C[C@H](NC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1)C(F)F ZINC001451146437 1067150071 /nfs/dbraw/zinc/15/00/71/1067150071.db2.gz FZVAOQYJFNIOQW-ZDUSSCGKSA-N 0 0 457.502 4.565 20 0 JJADRN CC(C)[C@@H](NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC001458806141 1067150568 /nfs/dbraw/zinc/15/05/68/1067150568.db2.gz BBIGLKIBBCHWTP-JOCHJYFZSA-N 0 0 455.979 4.945 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)o2)cc1 ZINC001451150845 1067150590 /nfs/dbraw/zinc/15/05/90/1067150590.db2.gz YXUCFSZMUBZHJA-PCCBWWKXSA-N 0 0 452.551 4.915 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Br)c(Cl)c2Cl)c1 ZINC001458802902 1067150646 /nfs/dbraw/zinc/15/06/46/1067150646.db2.gz RCRLPWWQDFDBLG-UHFFFAOYSA-N 0 0 451.169 4.731 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1F ZINC001458807363 1067151351 /nfs/dbraw/zinc/15/13/51/1067151351.db2.gz GLYBATHNUXLUGS-NRFANRHFSA-N 0 0 452.979 4.781 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)c2cc(Cl)cc(Cl)c2F)c(OC)c1 ZINC001458810340 1067151905 /nfs/dbraw/zinc/15/19/05/1067151905.db2.gz NHMMLIJDRFXMKB-UHFFFAOYSA-N 0 0 454.285 4.655 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccsc1 ZINC001451171894 1067152085 /nfs/dbraw/zinc/15/20/85/1067152085.db2.gz XXZZCDVYGBITGO-GOSISDBHSA-N 0 0 452.498 4.822 20 0 JJADRN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc3)o2)cc1 ZINC001546028980 1067152574 /nfs/dbraw/zinc/15/25/74/1067152574.db2.gz RTAWLHUVDFETRG-QGZVFWFLSA-N 0 0 450.539 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3ccc(SC(F)(F)F)nc3)nc2C1 ZINC001451194817 1067153365 /nfs/dbraw/zinc/15/33/65/1067153365.db2.gz AKRJBZKTUNCCAF-UHFFFAOYSA-N 0 0 454.474 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2-c2ncc[nH]2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001451206618 1067153714 /nfs/dbraw/zinc/15/37/14/1067153714.db2.gz TUURYBOYPMYLFP-YADHBBJMSA-N 0 0 480.996 4.997 20 0 JJADRN CC(C)c1ccc(OCCNC(=O)CSc2nnc3n2c2ccccc2n3C(C)C)cc1 ZINC001458819864 1067154708 /nfs/dbraw/zinc/15/47/08/1067154708.db2.gz QNTWUXZDSXCOIR-UHFFFAOYSA-N 0 0 451.596 4.676 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001458818651 1067154872 /nfs/dbraw/zinc/15/48/72/1067154872.db2.gz MEZLYBDOFTXPOZ-XXBNENTESA-N 0 0 451.592 4.578 20 0 JJADRN O=C(NCCSc1nnc(NC2CCCCC2)s1)c1cccnc1Oc1ccccc1 ZINC001458819747 1067154929 /nfs/dbraw/zinc/15/49/29/1067154929.db2.gz QDIJBEAAVSJLHE-UHFFFAOYSA-N 0 0 455.609 4.992 20 0 JJADRN C[C@H](C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1)C(C)(F)F ZINC001451244860 1067155243 /nfs/dbraw/zinc/15/52/43/1067155243.db2.gz KSYFUWFFGJUQBQ-OAHLLOKOSA-N 0 0 454.562 4.522 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001458820642 1067155541 /nfs/dbraw/zinc/15/55/41/1067155541.db2.gz OENJPTAKEZWYRX-UUOWRZLLSA-N 0 0 451.998 4.980 20 0 JJADRN CCc1cc2c(nc(SCCNC(=O)OC(C)(C)C)n(CCc3ccccc3)c2=O)s1 ZINC001458820695 1067155585 /nfs/dbraw/zinc/15/55/85/1067155585.db2.gz FXGFQZYGUUVNTM-UHFFFAOYSA-N 0 0 459.637 4.880 20 0 JJADRN Nn1c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)nnc1-c1ccccc1 ZINC001458821668 1067156154 /nfs/dbraw/zinc/15/61/54/1067156154.db2.gz YRKDVDUBQYGCTD-UHFFFAOYSA-N 0 0 451.939 4.835 20 0 JJADRN Cc1nc(CCC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)oc1-c1ccc(Br)cc1 ZINC001451252140 1067156351 /nfs/dbraw/zinc/15/63/51/1067156351.db2.gz GFOYPYMAFDLPFH-VQTJNVASSA-N 0 0 461.400 4.745 20 0 JJADRN O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001451251736 1067156397 /nfs/dbraw/zinc/15/63/97/1067156397.db2.gz CTHANIQMZYXGEG-PKOBYXMFSA-N 0 0 463.347 4.789 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1(C)C ZINC001451294091 1067157967 /nfs/dbraw/zinc/15/79/67/1067157967.db2.gz IHQDFSOIBNTCHI-JKSUJKDBSA-N 0 0 463.669 4.607 20 0 JJADRN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCC1(S(C)(=O)=O)CCCCC1 ZINC001458825890 1067158506 /nfs/dbraw/zinc/15/85/06/1067158506.db2.gz HYXCCBJMLLKNHA-UHFFFAOYSA-N 0 0 457.061 4.936 20 0 JJADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C1CCCC1 ZINC001451315976 1067159272 /nfs/dbraw/zinc/15/92/72/1067159272.db2.gz VWYCLQDTANTXGH-ATLLOTDBSA-N 0 0 450.579 4.624 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001458826825 1067159746 /nfs/dbraw/zinc/15/97/46/1067159746.db2.gz WPKXVABWPJEMEA-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN COC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nnc(COc2ccc(Cl)cc2)n1C ZINC001458827046 1067159770 /nfs/dbraw/zinc/15/97/70/1067159770.db2.gz LUOFYZBAUZMVEW-KRWDZBQOSA-N 0 0 452.363 4.577 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(F)ccc3Cl)o2)c1 ZINC001458827938 1067160337 /nfs/dbraw/zinc/16/03/37/1067160337.db2.gz YSUVDVNWXFHEGL-UHFFFAOYSA-N 0 0 455.964 4.852 20 0 JJADRN C[C@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1cncn1C ZINC001458827818 1067160370 /nfs/dbraw/zinc/16/03/70/1067160370.db2.gz UOUQKGHFEBUGNF-CQSZACIVSA-N 0 0 455.381 4.794 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001545820760 1067160413 /nfs/dbraw/zinc/16/04/13/1067160413.db2.gz IMOLWQHDRFJKQD-UHFFFAOYSA-N 0 0 453.395 4.596 20 0 JJADRN CCO[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451341020 1067160490 /nfs/dbraw/zinc/16/04/90/1067160490.db2.gz MVLVKJSBEDDBEW-PISWEHOVSA-N 0 0 450.579 4.625 20 0 JJADRN Cn1c(SCc2cc(Br)cc(F)c2F)nnc1[C@H]1COc2ccccc2O1 ZINC001458828777 1067160724 /nfs/dbraw/zinc/16/07/24/1067160724.db2.gz RWOUXIHEILZLLS-OAHLLOKOSA-N 0 0 454.296 4.661 20 0 JJADRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCC(=O)Nc2cccnc2)cc1 ZINC001458830844 1067161405 /nfs/dbraw/zinc/16/14/05/1067161405.db2.gz CUNVGHXNRILDGT-UHFFFAOYSA-N 0 0 459.575 4.773 20 0 JJADRN CCOc1ccc(-n2c(SCOC(=O)CC(C)C)nc3sc4c(c3c2=O)CCC4)cc1 ZINC001458830798 1067161431 /nfs/dbraw/zinc/16/14/31/1067161431.db2.gz CRPDICORIZSGIA-UHFFFAOYSA-N 0 0 458.605 4.974 20 0 JJADRN CCC(CC)c1cc(Cn2c(C)nnc2N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)on1 ZINC001545821735 1067161553 /nfs/dbraw/zinc/16/15/53/1067161553.db2.gz KQHZHUKKBFNGPA-UHFFFAOYSA-N 0 0 460.623 4.752 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CCC[C@]2(CCSC2)C1 ZINC001451377803 1067161689 /nfs/dbraw/zinc/16/16/89/1067161689.db2.gz KQEQHBVEGUGPNX-KRWDZBQOSA-N 0 0 457.436 4.928 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cnn1-c1ccc(C)cc1 ZINC001451378939 1067161752 /nfs/dbraw/zinc/16/17/52/1067161752.db2.gz NNYBJFBUIKUNBH-XZOQPEGZSA-N 0 0 470.539 4.893 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451378670 1067161821 /nfs/dbraw/zinc/16/18/21/1067161821.db2.gz LXYUUJPIQMYCDY-UWWQBHOKSA-N 0 0 465.566 4.923 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3(C4CC4)CCC3)cc2)cc1 ZINC001546030606 1067161862 /nfs/dbraw/zinc/16/18/62/1067161862.db2.gz MRMMYRMGLMGLQS-UHFFFAOYSA-N 0 0 454.636 4.773 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545821864 1067162469 /nfs/dbraw/zinc/16/24/69/1067162469.db2.gz NQOPDWFIRRRPKU-SFHVURJKSA-N 0 0 460.623 4.835 20 0 JJADRN COc1ccc(-c2nnc(SCc3cn(C)nc3Br)n2-c2ccccc2)cc1 ZINC001458833914 1067162345 /nfs/dbraw/zinc/16/23/45/1067162345.db2.gz HYVJZJFSQRKNBZ-UHFFFAOYSA-N 0 0 456.369 4.731 20 0 JJADRN COc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)cc(OC)c1C ZINC001458833644 1067162449 /nfs/dbraw/zinc/16/24/49/1067162449.db2.gz CTPUOMBQXBPFKZ-UHFFFAOYSA-N 0 0 451.544 4.938 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)[C@@H]1CCCOC1 ZINC001458833480 1067162512 /nfs/dbraw/zinc/16/25/12/1067162512.db2.gz BRAUXKFLLMKSGP-QRWLVFNGSA-N 0 0 459.589 4.875 20 0 JJADRN CC(C)n1c(=O)c2ccccc2nc1S[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001458834591 1067162944 /nfs/dbraw/zinc/16/29/44/1067162944.db2.gz IOYBCHWUDAZHCB-SFHVURJKSA-N 0 0 458.381 4.786 20 0 JJADRN Cc1ccc(OCCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC001451390245 1067162844 /nfs/dbraw/zinc/16/28/44/1067162844.db2.gz LWMUFGDDAFHAKH-XZOQPEGZSA-N 0 0 456.558 4.731 20 0 JJADRN CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3Br)ccc21 ZINC001458835032 1067163575 /nfs/dbraw/zinc/16/35/75/1067163575.db2.gz FKDKOHYOSZBWKV-UHFFFAOYSA-N 0 0 457.246 4.899 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451391162 1067163708 /nfs/dbraw/zinc/16/37/08/1067163708.db2.gz OAFQHNVIEVZEPR-LTFXSFKNSA-N 0 0 481.568 4.553 20 0 JJADRN COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001451390422 1067163737 /nfs/dbraw/zinc/16/37/37/1067163737.db2.gz MEMWGDAYQDJBOS-ZWKOTPCHSA-N 0 0 480.483 4.569 20 0 JJADRN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC001545822627 1067164234 /nfs/dbraw/zinc/16/42/34/1067164234.db2.gz KIEHIYNUPRCPTN-RUZDIDTESA-N 0 0 450.991 4.991 20 0 JJADRN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC001545822628 1067164244 /nfs/dbraw/zinc/16/42/44/1067164244.db2.gz KIEHIYNUPRCPTN-VWLOTQADSA-N 0 0 450.991 4.991 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 ZINC001451395854 1067164350 /nfs/dbraw/zinc/16/43/50/1067164350.db2.gz CVOCFYFHGRJBFY-PMOQBDJRSA-N 0 0 456.030 4.786 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 ZINC001451399693 1067165040 /nfs/dbraw/zinc/16/50/40/1067165040.db2.gz KPXVXZRUFDOSES-DBVUQKKJSA-N 0 0 453.526 4.654 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(Cc2cccc(F)c2)C(C)C)on1 ZINC001545823091 1067164916 /nfs/dbraw/zinc/16/49/16/1067164916.db2.gz AGYOSAGYNXEXMY-OAQYLSRUSA-N 0 0 468.577 4.723 20 0 JJADRN COC[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001451401350 1067165085 /nfs/dbraw/zinc/16/50/85/1067165085.db2.gz WYXGQKSBTFARFU-QHCPKHFHSA-N 0 0 458.624 4.671 20 0 JJADRN CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCC(=O)[C@@H]1Cc2ccccc21 ZINC001458837375 1067165410 /nfs/dbraw/zinc/16/54/10/1067165410.db2.gz ZDTRTZLSAJYMSN-QGZVFWFLSA-N 0 0 457.393 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001451401991 1067165688 /nfs/dbraw/zinc/16/56/88/1067165688.db2.gz ZJGDXDNVNSRPTA-XHDPSFHLSA-N 0 0 463.294 4.549 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](O)c1ccccc1Br ZINC001451408064 1067166252 /nfs/dbraw/zinc/16/62/52/1067166252.db2.gz CWHMSWHSSJPMCD-INIZCTEOSA-N 0 0 451.773 4.998 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001451407769 1067166296 /nfs/dbraw/zinc/16/62/96/1067166296.db2.gz UOHBQVLCEVHJED-XUZZJYLKSA-N 0 0 450.579 4.584 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)NC[C@@H](O)c2ccccc2Br)cc1OC ZINC001451408263 1067166343 /nfs/dbraw/zinc/16/63/43/1067166343.db2.gz DZLQAVUTKZSOCN-QGZVFWFLSA-N 0 0 456.764 4.753 20 0 JJADRN Cc1nc(CC2CC2)sc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451408917 1067166400 /nfs/dbraw/zinc/16/64/00/1067166400.db2.gz BYTHFUDZNFWNON-PKOBYXMFSA-N 0 0 459.587 4.676 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCc2nccs2)on1 ZINC001545823302 1067166244 /nfs/dbraw/zinc/16/62/44/1067166244.db2.gz IFOUSOFGLYUUNP-UHFFFAOYSA-N 0 0 451.600 4.724 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1S[C@@H]1CCC[C@H](OC)C1 ZINC001458839656 1067166754 /nfs/dbraw/zinc/16/67/54/1067166754.db2.gz VNPNRXBQCYULSV-ZWKOTPCHSA-N 0 0 453.674 4.917 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)[C@@H]2CC)on1 ZINC001545823400 1067166764 /nfs/dbraw/zinc/16/67/64/1067166764.db2.gz LQRIRRZCGUNPJE-FQEVSTJZSA-N 0 0 491.423 4.907 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C(=O)NC)on1 ZINC001545823451 1067166789 /nfs/dbraw/zinc/16/67/89/1067166789.db2.gz MVSBRMDGXBMORH-IAGOWNOFSA-N 0 0 498.697 4.890 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)[C@@H]2CC)on1 ZINC001545823625 1067167420 /nfs/dbraw/zinc/16/74/20/1067167420.db2.gz SJDDNAYXSVPWHI-QHCPKHFHSA-N 0 0 478.641 4.897 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)on1 ZINC001545823632 1067167430 /nfs/dbraw/zinc/16/74/30/1067167430.db2.gz SMLJVIQFIJWIAF-OAQYLSRUSA-N 0 0 494.640 4.635 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)NC[C@H](O)c1ccccc1Br ZINC001451411252 1067167548 /nfs/dbraw/zinc/16/75/48/1067167548.db2.gz MEUPPCHAXTVKPE-FRFYRWIFSA-N 0 0 452.348 4.891 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1Br)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC001451412018 1067168222 /nfs/dbraw/zinc/16/82/22/1067168222.db2.gz NKAWWPFOYASKEB-NRFANRHFSA-N 0 0 454.368 4.891 20 0 JJADRN Cc1nc2ccc(O)cc2cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451412912 1067168506 /nfs/dbraw/zinc/16/85/06/1067168506.db2.gz TYTYEQUNKHHIHL-NZQKXSOJSA-N 0 0 465.525 4.521 20 0 JJADRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001451412921 1067168694 /nfs/dbraw/zinc/16/86/94/1067168694.db2.gz MFVIUNODFQTYFS-HSZRJFAPSA-N 0 0 454.364 4.746 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)cc(C)c1OCc1cccnc1 ZINC001545824034 1067168566 /nfs/dbraw/zinc/16/85/66/1067168566.db2.gz IQAUFSRSWXBZPW-UHFFFAOYSA-N 0 0 458.562 4.619 20 0 JJADRN CON(C)C(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC001458843283 1067169266 /nfs/dbraw/zinc/16/92/66/1067169266.db2.gz HRXVRLNNYXKHMT-UHFFFAOYSA-N 0 0 457.522 4.526 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC=C(Br)C2)on1 ZINC001545824578 1067169221 /nfs/dbraw/zinc/16/92/21/1067169221.db2.gz CHCINURMFOTGQV-LJQANCHMSA-N 0 0 464.408 4.949 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)C2CCCCC2)on1 ZINC001545824539 1067169316 /nfs/dbraw/zinc/16/93/16/1067169316.db2.gz BCKNXXUHOUUFSR-PXNSSMCTSA-N 0 0 477.675 4.525 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)C[C@H]1c1ccccc1F ZINC001451413724 1067169340 /nfs/dbraw/zinc/16/93/40/1067169340.db2.gz XBPRBQDSNZIIJW-RBBKRZOGSA-N 0 0 454.542 4.543 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC001458843431 1067169308 /nfs/dbraw/zinc/16/93/08/1067169308.db2.gz QDFJEVUHNXRHBS-UHFFFAOYSA-N 0 0 450.516 4.984 20 0 JJADRN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458843543 1067169327 /nfs/dbraw/zinc/16/93/27/1067169327.db2.gz ODNGJPRDGJKIPY-CABCVRRESA-N 0 0 450.486 4.809 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)on1 ZINC001545824831 1067169775 /nfs/dbraw/zinc/16/97/75/1067169775.db2.gz LAMSMRVHBRPWLX-CALCHBBNSA-N 0 0 458.557 4.931 20 0 JJADRN CN(C)c1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1 ZINC001451414219 1067169828 /nfs/dbraw/zinc/16/98/28/1067169828.db2.gz ZGDAEWVMPKCBQA-NZQKXSOJSA-N 0 0 478.568 4.573 20 0 JJADRN CN(C)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)n1 ZINC001458844896 1067169918 /nfs/dbraw/zinc/16/99/18/1067169918.db2.gz VKFHOIXEBZHXCZ-UHFFFAOYSA-N 0 0 455.301 4.507 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H](C)CSc4ccc(Cl)cc43)C2=O)c1 ZINC001458845572 1067169948 /nfs/dbraw/zinc/16/99/48/1067169948.db2.gz FFSZLICOPUGSFW-YJBOKZPZSA-N 0 0 457.983 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 ZINC001451430782 1067170692 /nfs/dbraw/zinc/17/06/92/1067170692.db2.gz IWZTZUGZNMDBCL-BJKOFHAPSA-N 0 0 452.595 4.693 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)on1 ZINC001545825074 1067171116 /nfs/dbraw/zinc/17/11/16/1067171116.db2.gz RLLZEXHSBQCIMN-IBGZPJMESA-N 0 0 486.016 4.852 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)on1 ZINC001545825086 1067171176 /nfs/dbraw/zinc/17/11/76/1067171176.db2.gz RRGLIOFCRUMIFE-UHFFFAOYSA-N 0 0 465.989 4.889 20 0 JJADRN O=C(N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC001458848321 1067171235 /nfs/dbraw/zinc/17/12/35/1067171235.db2.gz GCYCHQLGPOZCIH-MRXNPFEDSA-N 0 0 456.306 4.950 20 0 JJADRN COc1ccccc1-n1cnnc1SC[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001458847575 1067171239 /nfs/dbraw/zinc/17/12/39/1067171239.db2.gz SLQFFXFUGQFGHK-KRWDZBQOSA-N 0 0 458.559 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001451433336 1067171296 /nfs/dbraw/zinc/17/12/96/1067171296.db2.gz TXGWOJRNGJCHNX-OALUTQOASA-N 0 0 456.505 4.630 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)on1 ZINC001545825197 1067171574 /nfs/dbraw/zinc/17/15/74/1067171574.db2.gz VUYQBMJEUJMJHO-GOSISDBHSA-N 0 0 472.659 4.827 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)s2)cc1 ZINC001458850743 1067171752 /nfs/dbraw/zinc/17/17/52/1067171752.db2.gz LCGWXEFCRYCOIP-OAHLLOKOSA-N 0 0 450.486 4.820 20 0 JJADRN O=C(c1cc2c(Br)cccc2cn1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458851083 1067171760 /nfs/dbraw/zinc/17/17/60/1067171760.db2.gz MWEVEMPIYIYQOW-CYBMUJFWSA-N 0 0 453.262 4.690 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001451434815 1067171777 /nfs/dbraw/zinc/17/17/77/1067171777.db2.gz WVXFECQQMIIVKZ-MOPGFXCFSA-N 0 0 456.505 4.630 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)C1 ZINC001451435759 1067172068 /nfs/dbraw/zinc/17/20/68/1067172068.db2.gz LJLWMTWBHVSRCQ-FNAHDJPLSA-N 0 0 463.018 4.754 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)s2)cc1 ZINC001458850734 1067171963 /nfs/dbraw/zinc/17/19/63/1067171963.db2.gz LCGWXEFCRYCOIP-HNNXBMFYSA-N 0 0 450.486 4.820 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)OCC3 ZINC001545825468 1067172144 /nfs/dbraw/zinc/17/21/44/1067172144.db2.gz GFKBNVXZLMJSRC-AREMUKBSSA-N 0 0 457.615 4.624 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)O[C@@H](C)C2)on1 ZINC001545825951 1067172153 /nfs/dbraw/zinc/17/21/53/1067172153.db2.gz BERCWDDSXKJIHP-IRXDYDNUSA-N 0 0 457.550 4.550 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 ZINC001545825994 1067172276 /nfs/dbraw/zinc/17/22/76/1067172276.db2.gz CGGBVNXQDJRISX-OAHLLOKOSA-N 0 0 492.521 4.995 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@]3(C)CCCc4ccccc43)CC2)C1 ZINC001451441410 1067172643 /nfs/dbraw/zinc/17/26/43/1067172643.db2.gz QUHOQQNLCBOFJR-CIXCFARBSA-N 0 0 456.627 4.592 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1Cc1sc(C)nc1C ZINC001545826109 1067172678 /nfs/dbraw/zinc/17/26/78/1067172678.db2.gz FWZZTTMENFQJRZ-KRWDZBQOSA-N 0 0 454.644 4.824 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@@H]1CCCc2cccnc21 ZINC001545826255 1067173315 /nfs/dbraw/zinc/17/33/15/1067173315.db2.gz JAMMPLONDZPHDQ-UGKGYDQZSA-N 0 0 490.652 4.918 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC[C@@H]3C3CC3)c2)cc1 ZINC001451463041 1067173376 /nfs/dbraw/zinc/17/33/76/1067173376.db2.gz NFOFVQHNTXXGQP-AUSIDOKSSA-N 0 0 456.608 4.751 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@H]1CCCc2cccnc21 ZINC001545826254 1067173469 /nfs/dbraw/zinc/17/34/69/1067173469.db2.gz JAMMPLONDZPHDQ-SIKLNZKXSA-N 0 0 490.652 4.918 20 0 JJADRN COc1cc(C(=O)N(C)C[C@H](O)c2ccccc2Br)ccc1OCCC(C)C ZINC001451475594 1067173914 /nfs/dbraw/zinc/17/39/14/1067173914.db2.gz TUCREWWCKMDRGI-IBGZPJMESA-N 0 0 450.373 4.688 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](C)CSc3ccc(Cl)cc32)c1 ZINC001458854577 1067174165 /nfs/dbraw/zinc/17/41/65/1067174165.db2.gz ZQROMGVJBURCBX-CYBMUJFWSA-N 0 0 456.992 4.554 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC(F)(F)Br ZINC001545826519 1067174602 /nfs/dbraw/zinc/17/46/02/1067174602.db2.gz OVNXUCVHWCVFKZ-LBPRGKRZSA-N 0 0 476.341 4.521 20 0 JJADRN Cc1ccc(CCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(Br)c1 ZINC001458857827 1067175049 /nfs/dbraw/zinc/17/50/49/1067175049.db2.gz AOROEFRVGVDKQT-UHFFFAOYSA-N 0 0 453.783 4.827 20 0 JJADRN CNC(=O)[C@H](Cc1ccccc1)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC001458858909 1067175481 /nfs/dbraw/zinc/17/54/81/1067175481.db2.gz XPLKTEIXFGVCJH-AEUZFIIDSA-N 0 0 459.546 4.660 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001545826688 1067175729 /nfs/dbraw/zinc/17/57/29/1067175729.db2.gz RUWLIACTQGTNRU-DNVFCKCGSA-N 0 0 473.637 4.984 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC[C@@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001451519814 1067176010 /nfs/dbraw/zinc/17/60/10/1067176010.db2.gz CECSCUGCQJZNIW-GUDVDZBRSA-N 0 0 456.656 4.668 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)c2ccccc12 ZINC001451519824 1067176104 /nfs/dbraw/zinc/17/61/04/1067176104.db2.gz CJWRIYWEOCHTEM-FOVJLYNBSA-N 0 0 452.595 4.959 20 0 JJADRN C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccc(OC(F)F)cc1 ZINC001458860500 1067176155 /nfs/dbraw/zinc/17/61/55/1067176155.db2.gz LSZSZYFVLMJREP-CQSZACIVSA-N 0 0 450.486 4.698 20 0 JJADRN CN(CCCN(C)C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001451524118 1067176543 /nfs/dbraw/zinc/17/65/43/1067176543.db2.gz YTDCRASOJRLCPC-RTBURBONSA-N 0 0 455.640 4.566 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826852 1067176782 /nfs/dbraw/zinc/17/67/82/1067176782.db2.gz VEWDMLNQGNBTOG-UYAOXDASSA-N 0 0 481.620 4.616 20 0 JJADRN CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458860861 1067176828 /nfs/dbraw/zinc/17/68/28/1067176828.db2.gz CJTTYCKNOADTHE-INIZCTEOSA-N 0 0 453.404 4.626 20 0 JJADRN CCn1c(=O)c2c(nc1SCCCCS(C)(=O)=O)sc(C)c2-c1ccc(F)cc1 ZINC001458862617 1067177212 /nfs/dbraw/zinc/17/72/12/1067177212.db2.gz ZIZCIFUAJCMIRS-UHFFFAOYSA-N 0 0 454.614 4.509 20 0 JJADRN CCOC(=O)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC001458863562 1067177304 /nfs/dbraw/zinc/17/73/04/1067177304.db2.gz MWVODIRGNMIUIA-HNNXBMFYSA-N 0 0 458.849 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1nnc(Cc3ccc(C(F)(F)F)cc3)s1)C2 ZINC001451530391 1067177293 /nfs/dbraw/zinc/17/72/93/1067177293.db2.gz LHNLEKMMMVAYRU-PMPSAXMXSA-N 0 0 482.528 4.874 20 0 JJADRN COc1c(N)c(C(=O)NCC2(c3c(F)cccc3F)CCC2)cc(Cl)c1Br ZINC001451530293 1067177398 /nfs/dbraw/zinc/17/73/98/1067177398.db2.gz KWUDNWPNVMCQDX-UHFFFAOYSA-N 0 0 459.718 4.823 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC001451533371 1067177419 /nfs/dbraw/zinc/17/74/19/1067177419.db2.gz WBIOBSCQGJTDRO-DZGCQCFKSA-N 0 0 466.991 4.793 20 0 JJADRN CC(C)c1ccc(OCc2nnc(SCCc3cccc(OC(F)(F)F)c3)n2N)cc1 ZINC001458863741 1067177823 /nfs/dbraw/zinc/17/78/23/1067177823.db2.gz VTODSFDTIGBGQK-UHFFFAOYSA-N 0 0 452.502 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC001545827781 1067177876 /nfs/dbraw/zinc/17/78/76/1067177876.db2.gz ASEBTVLFNWQXIK-TVNWEXPRSA-N 0 0 497.684 4.736 20 0 JJADRN COC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC001458864472 1067177928 /nfs/dbraw/zinc/17/79/28/1067177928.db2.gz WEQJLTZSLOYIGU-FQEVSTJZSA-N 0 0 456.999 4.787 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1Cc1ccoc1 ZINC001545827974 1067178250 /nfs/dbraw/zinc/17/82/50/1067178250.db2.gz HCVAONWXKAMTHY-LJQANCHMSA-N 0 0 492.393 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001545827995 1067178309 /nfs/dbraw/zinc/17/83/09/1067178309.db2.gz HPGABCNFLULEDA-FUHYEJFZSA-N 0 0 484.664 4.877 20 0 JJADRN COC(=O)CCn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nc2ccccc2c1=O ZINC001458865052 1067178318 /nfs/dbraw/zinc/17/83/18/1067178318.db2.gz SSETUOIUHJTMSL-UHFFFAOYSA-N 0 0 458.408 4.549 20 0 JJADRN Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC001458864938 1067178408 /nfs/dbraw/zinc/17/84/08/1067178408.db2.gz RRAGTFYMOIVECQ-HXUWFJFHSA-N 0 0 458.587 4.919 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC001546032116 1067178424 /nfs/dbraw/zinc/17/84/24/1067178424.db2.gz GQPPXUUQEJZZNJ-UHFFFAOYSA-N 0 0 458.530 4.798 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001545828268 1067178383 /nfs/dbraw/zinc/17/83/83/1067178383.db2.gz OUWQIGLQYCPGCR-UHFFFAOYSA-N 0 0 472.634 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001545828369 1067179151 /nfs/dbraw/zinc/17/91/51/1067179151.db2.gz RZSKMJTZKNVFHM-LJQANCHMSA-N 0 0 486.661 4.776 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC001451576099 1067179268 /nfs/dbraw/zinc/17/92/68/1067179268.db2.gz MNHAIKBGUANLMX-GOEBONIOSA-N 0 0 457.434 4.741 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cc1NC(=O)NC(C)(C)C ZINC001546032422 1067179714 /nfs/dbraw/zinc/17/97/14/1067179714.db2.gz RRFCCVSBQKSAFU-UHFFFAOYSA-N 0 0 453.583 4.541 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CC1CC(C)(C)C1 ZINC001545829591 1067179779 /nfs/dbraw/zinc/17/97/79/1067179779.db2.gz AXYXEEKRFQLLLO-QHCPKHFHSA-N 0 0 466.674 4.738 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccco2)cc1 ZINC001451577962 1067179873 /nfs/dbraw/zinc/17/98/73/1067179873.db2.gz XPRKLDKIIQKPPO-UWJYYQICSA-N 0 0 459.329 4.854 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001451586126 1067180484 /nfs/dbraw/zinc/18/04/84/1067180484.db2.gz JJKPYOYIDDMBKS-NWSQWKLXSA-N 0 0 453.583 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CCc1sccc1C ZINC001545829915 1067180507 /nfs/dbraw/zinc/18/05/07/1067180507.db2.gz JNQWYTSAWUHUEB-NRFANRHFSA-N 0 0 451.640 4.933 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1Cc1cscc1C ZINC001545829967 1067180537 /nfs/dbraw/zinc/18/05/37/1067180537.db2.gz KMWKNDHJKJZBGY-HSZRJFAPSA-N 0 0 480.682 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCc1cc(C)ccc1OC ZINC001545830310 1067181804 /nfs/dbraw/zinc/18/18/04/1067181804.db2.gz RAEBUQLSHSXODJ-XMSQKQJNSA-N 0 0 455.647 4.771 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CCC(=O)OC(C)(C)C)C3)[nH]n2)c1C ZINC001451648709 1067182350 /nfs/dbraw/zinc/18/23/50/1067182350.db2.gz HWVPHBCRZRVDBN-LJQANCHMSA-N 0 0 457.619 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545831874 1067182401 /nfs/dbraw/zinc/18/24/01/1067182401.db2.gz AEQQXILTSFJKHR-VUHHOQONSA-N 0 0 489.668 4.819 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1 ZINC001451646467 1067182431 /nfs/dbraw/zinc/18/24/31/1067182431.db2.gz YODVUELXIYBLJX-UHFFFAOYSA-N 0 0 450.564 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1C1CC(C(C)(C)C)C1 ZINC001545832482 1067183043 /nfs/dbraw/zinc/18/30/43/1067183043.db2.gz QZBZLLYZBBSSJE-UHFFFAOYSA-N 0 0 490.599 4.547 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)C1 ZINC001451651730 1067183057 /nfs/dbraw/zinc/18/30/57/1067183057.db2.gz YWBRPQHUYJXRRX-INIZCTEOSA-N 0 0 459.537 4.613 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1 ZINC001458876691 1067183117 /nfs/dbraw/zinc/18/31/17/1067183117.db2.gz IYGWOGHZVIUABH-UHFFFAOYSA-N 0 0 452.910 4.790 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001545833186 1067183567 /nfs/dbraw/zinc/18/35/67/1067183567.db2.gz NTEIQBKYLMEODD-UHFFFAOYSA-N 0 0 457.304 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)cs2)n1Cc1ccccc1-c1cnn(C)c1 ZINC001545833854 1067184271 /nfs/dbraw/zinc/18/42/71/1067184271.db2.gz MVRNWDJKCDVPOC-UHFFFAOYSA-N 0 0 491.665 4.652 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545834028 1067184307 /nfs/dbraw/zinc/18/43/07/1067184307.db2.gz UODDOLYTFVCMIU-AZUAARDMSA-N 0 0 481.563 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2(c3ccccc3)CC2)n1Cc1ccc(C)s1 ZINC001545833997 1067184311 /nfs/dbraw/zinc/18/43/11/1067184311.db2.gz SNQQVWGGCKCUHQ-UHFFFAOYSA-N 0 0 451.640 4.783 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001451658929 1067184607 /nfs/dbraw/zinc/18/46/07/1067184607.db2.gz GKZBOGCQZWFGGR-RISCZKNCSA-N 0 0 458.702 4.732 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001451658913 1067184642 /nfs/dbraw/zinc/18/46/42/1067184642.db2.gz GKZBOGCQZWFGGR-BXUZGUMPSA-N 0 0 458.702 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)cc21 ZINC001451665232 1067184738 /nfs/dbraw/zinc/18/47/38/1067184738.db2.gz QSAWOXSBTDMVLG-BHIYHBOVSA-N 0 0 458.990 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001545834848 1067184828 /nfs/dbraw/zinc/18/48/28/1067184828.db2.gz CAIUMHJTGUWDRB-OALUTQOASA-N 0 0 467.614 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@H]1CCSC1 ZINC001545834896 1067185408 /nfs/dbraw/zinc/18/54/08/1067185408.db2.gz FHNWPOYUYLTSQD-INIZCTEOSA-N 0 0 469.577 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@@H]1CC=CCC1 ZINC001545834872 1067185429 /nfs/dbraw/zinc/18/54/29/1067185429.db2.gz CZPIYHDKQBGQSQ-QGZVFWFLSA-N 0 0 474.447 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCc1nc(C)c(C)s1 ZINC001545834926 1067185459 /nfs/dbraw/zinc/18/54/59/1067185459.db2.gz GDFSNHRVDJFQSJ-UHFFFAOYSA-N 0 0 494.587 4.566 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001458881578 1067185523 /nfs/dbraw/zinc/18/55/23/1067185523.db2.gz YAWMWSWCJDWKNE-HXUWFJFHSA-N 0 0 458.505 4.782 20 0 JJADRN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 ZINC001458882772 1067185530 /nfs/dbraw/zinc/18/55/30/1067185530.db2.gz AREXXCSFNDJARV-MUUNZHRXSA-N 0 0 457.574 4.756 20 0 JJADRN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nn1C(C)C ZINC001451689171 1067186284 /nfs/dbraw/zinc/18/62/84/1067186284.db2.gz TVUBLVVZLPFERF-UHFFFAOYSA-N 0 0 450.923 4.618 20 0 JJADRN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)n2)cc1 ZINC001458885678 1067186622 /nfs/dbraw/zinc/18/66/22/1067186622.db2.gz ZNAIWDGLZWZZCM-AWEZNQCLSA-N 0 0 452.511 4.918 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001546033247 1067186824 /nfs/dbraw/zinc/18/68/24/1067186824.db2.gz RLSNVHWGUFPAHO-UZLBHIALSA-N 0 0 477.447 4.957 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545835407 1067187220 /nfs/dbraw/zinc/18/72/20/1067187220.db2.gz WXKNNGOCZKTQEK-RXVVDRJESA-N 0 0 461.676 4.654 20 0 JJADRN C[C@H]1CCc2c(sc3ncn(Cc4cc(Br)ccc4OC(F)F)c(=O)c23)C1 ZINC001458886754 1067187339 /nfs/dbraw/zinc/18/73/39/1067187339.db2.gz LWSLTVPHTFKHHR-JTQLQIEISA-N 0 0 455.324 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)C(C)(C)c1ccc(Br)cc1)CC2 ZINC001451699855 1067187640 /nfs/dbraw/zinc/18/76/40/1067187640.db2.gz MCXMGRYIGGTKHB-UHFFFAOYSA-N 0 0 451.405 4.729 20 0 JJADRN COC(=O)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1cccc(Br)c1 ZINC001458890561 1067187714 /nfs/dbraw/zinc/18/77/14/1067187714.db2.gz BNKXHEFLWAXTSQ-QGZVFWFLSA-N 0 0 455.337 4.584 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1Cc1ccc(C)s1 ZINC001545836198 1067188362 /nfs/dbraw/zinc/18/83/62/1067188362.db2.gz FMDZDIRXGRIVIE-UHFFFAOYSA-N 0 0 455.628 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC001451724182 1067188489 /nfs/dbraw/zinc/18/84/89/1067188489.db2.gz JLCPFWYIAFBEOM-INIZCTEOSA-N 0 0 452.942 4.826 20 0 JJADRN Nc1c(F)cc(Br)cc1C(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC001451733894 1067188970 /nfs/dbraw/zinc/18/89/70/1067188970.db2.gz CJTBTPSHWUIBCK-CYBMUJFWSA-N 0 0 456.153 4.780 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Br)n1CCC=C(C)C ZINC001545836432 1067189757 /nfs/dbraw/zinc/18/97/57/1067189757.db2.gz MXKRLNHNQMKLPN-UHFFFAOYSA-N 0 0 462.436 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1C[C@H](C)c1ncc(C)s1 ZINC001545836753 1067190070 /nfs/dbraw/zinc/19/00/70/1067190070.db2.gz XRDATCGDVZJDGF-KRWDZBQOSA-N 0 0 454.644 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2Cc2ccccc2Br)CC1 ZINC001451738445 1067190085 /nfs/dbraw/zinc/19/00/85/1067190085.db2.gz OQDBUDDSLMOXIG-SFHVURJKSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC1(O)CCCCCC1 ZINC001545836715 1067190149 /nfs/dbraw/zinc/19/01/49/1067190149.db2.gz WOVAPKPPSWTWMI-UHFFFAOYSA-N 0 0 462.038 4.572 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001451737047 1067190253 /nfs/dbraw/zinc/19/02/53/1067190253.db2.gz HEYVDRKUGRRSKN-YSTOQKLRSA-N 0 0 467.651 4.564 20 0 JJADRN Cc1ccc(OCc2nnc(SCC(=O)NCCc3cccc(Cl)c3Cl)o2)cc1 ZINC001458900015 1067190168 /nfs/dbraw/zinc/19/01/68/1067190168.db2.gz KPAJPZFMKNJZCS-UHFFFAOYSA-N 0 0 452.363 4.715 20 0 JJADRN CC[C@H](Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1)C(=O)Nc1ccc(C)cc1 ZINC001458901230 1067190255 /nfs/dbraw/zinc/19/02/55/1067190255.db2.gz KZMJUTOBLLQWJW-NRFANRHFSA-N 0 0 453.612 4.974 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CC(C1CCC1)C1CCC1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458902215 1067190862 /nfs/dbraw/zinc/19/08/62/1067190862.db2.gz BVTGVUQHVJPZHA-SANMLTNESA-N 0 0 451.611 4.875 20 0 JJADRN CCCn1c2ccccc2c2nnc(S[C@@H](C(=O)NCc3ccccc3F)C(C)C)nc21 ZINC001458903228 1067190930 /nfs/dbraw/zinc/19/09/30/1067190930.db2.gz OYSDDFGTDASFGR-OAQYLSRUSA-N 0 0 451.571 4.962 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)ccc1N1CCCCC1 ZINC001451742095 1067191008 /nfs/dbraw/zinc/19/10/08/1067191008.db2.gz WBGKSAISRDRSJF-HFZDXXHNSA-N 0 0 471.598 4.582 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CCCN1C(=O)OC(C)(C)C ZINC001451743764 1067191423 /nfs/dbraw/zinc/19/14/23/1067191423.db2.gz ZTLPKPYDAFOQGM-VQIMIIECSA-N 0 0 467.595 4.514 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)Sc1n[nH]c(C=Cc2ccccc2)n1 ZINC001458903678 1067191424 /nfs/dbraw/zinc/19/14/24/1067191424.db2.gz NUKHERQDHIGBQN-NYHXXUGCSA-N 0 0 456.593 4.895 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(CC)c2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001545837984 1067191425 /nfs/dbraw/zinc/19/14/25/1067191425.db2.gz YBVQRKKNMXUJPL-KESTWPANSA-N 0 0 484.048 4.821 20 0 JJADRN Cc1oc2nc(SCC(=O)N(CC(C)C)C3CC3)nc(NC(=O)c3ccccc3)c2c1C ZINC001458904901 1067191975 /nfs/dbraw/zinc/19/19/75/1067191975.db2.gz DYAIDOUPJGJCOU-UHFFFAOYSA-N 0 0 452.580 4.831 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001451798546 1067192112 /nfs/dbraw/zinc/19/21/12/1067192112.db2.gz JONJZJMSRAJMKK-AEFFLSMTSA-N 0 0 457.409 4.615 20 0 JJADRN CN(CCC1CCN(C(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001545838619 1067192085 /nfs/dbraw/zinc/19/20/85/1067192085.db2.gz WRKSRMBKIFIDQN-HXUWFJFHSA-N 0 0 452.636 4.630 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905913 1067192022 /nfs/dbraw/zinc/19/20/22/1067192022.db2.gz RSHCTDORLUWVLR-WMTXJRDZSA-N 0 0 465.981 4.726 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCNC(C)=O)C1 ZINC001546104645 1067192513 /nfs/dbraw/zinc/19/25/13/1067192513.db2.gz DNEDKHJRMPEQMQ-UHFFFAOYSA-N 0 0 482.854 4.904 20 0 JJADRN COCCOCc1cc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)ccc1F ZINC001458906474 1067192567 /nfs/dbraw/zinc/19/25/67/1067192567.db2.gz HRRHPMMBCVCVRX-UHFFFAOYSA-N 0 0 457.296 4.752 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001545839032 1067192607 /nfs/dbraw/zinc/19/26/07/1067192607.db2.gz MQEGCZXFGIISJG-ZIAGYGMSSA-N 0 0 472.581 4.744 20 0 JJADRN Cc1ccc2c(c1)CCN(C(=O)c1cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s1)C2 ZINC001451816035 1067193106 /nfs/dbraw/zinc/19/31/06/1067193106.db2.gz BRLAERFUQPRHMH-UHFFFAOYSA-N 0 0 455.624 4.840 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545839314 1067193220 /nfs/dbraw/zinc/19/32/20/1067193220.db2.gz YFNKVMNNKJFBIQ-UHFFFAOYSA-N 0 0 469.527 4.756 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2)c1 ZINC001458909662 1067193666 /nfs/dbraw/zinc/19/36/66/1067193666.db2.gz BGEFYELMGIPEKA-UHFFFAOYSA-N 0 0 459.521 4.508 20 0 JJADRN CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451851141 1067193875 /nfs/dbraw/zinc/19/38/75/1067193875.db2.gz OQEWALOGDORIQN-KDURUIRLSA-N 0 0 450.579 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1nc2cccc(Cl)c2n1C ZINC001545841011 1067193970 /nfs/dbraw/zinc/19/39/70/1067193970.db2.gz SLXLLZXULBEFMN-KRWDZBQOSA-N 0 0 484.048 4.577 20 0 JJADRN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O ZINC001458912452 1067194189 /nfs/dbraw/zinc/19/41/89/1067194189.db2.gz AFKSOHXZTSDVQR-ZLXGRDSLSA-N 0 0 472.385 4.655 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(Br)c1Cl ZINC001458911659 1067194210 /nfs/dbraw/zinc/19/42/10/1067194210.db2.gz QEIBZSSAZHHHCF-NRFANRHFSA-N 0 0 450.760 4.883 20 0 JJADRN O=C(Nc1cnccc1-c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001458910739 1067194234 /nfs/dbraw/zinc/19/42/34/1067194234.db2.gz ZQFHUDNFADCPPA-UHFFFAOYSA-N 0 0 455.967 4.829 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545841817 1067194420 /nfs/dbraw/zinc/19/44/20/1067194420.db2.gz BNAVPBFXUBGWCO-YLJYHZDGSA-N 0 0 480.579 4.954 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545842008 1067194452 /nfs/dbraw/zinc/19/44/52/1067194452.db2.gz IBZPTXUOVFFHKB-IEBWSBKVSA-N 0 0 473.584 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2nccs2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001545841811 1067194512 /nfs/dbraw/zinc/19/45/12/1067194512.db2.gz BGVHHURCLUBAJG-IRJFHVNHSA-N 0 0 470.618 4.590 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545842007 1067194517 /nfs/dbraw/zinc/19/45/17/1067194517.db2.gz IBZPTXUOVFFHKB-HKUYNNGSSA-N 0 0 473.584 4.743 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001451856746 1067194572 /nfs/dbraw/zinc/19/45/72/1067194572.db2.gz CAYKWWUVOKEMKW-MRXNPFEDSA-N 0 0 457.456 4.774 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CC)O1 ZINC001451856195 1067194587 /nfs/dbraw/zinc/19/45/87/1067194587.db2.gz YGCPCPNYDSOEHG-XUVXKRRUSA-N 0 0 450.579 4.577 20 0 JJADRN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)nc2C(F)(F)F)C1=O ZINC001458912934 1067194741 /nfs/dbraw/zinc/19/47/41/1067194741.db2.gz BRDYQYNAMWKAIV-INIZCTEOSA-N 0 0 451.754 4.740 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001545842115 1067195121 /nfs/dbraw/zinc/19/51/21/1067195121.db2.gz MCAZBKOJZDMCNQ-LJQANCHMSA-N 0 0 469.621 4.665 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1)NC1CC1 ZINC001451870654 1067195356 /nfs/dbraw/zinc/19/53/56/1067195356.db2.gz GRWWXIPLSIKUFD-OAQYLSRUSA-N 0 0 456.384 4.970 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001458915637 1067195376 /nfs/dbraw/zinc/19/53/76/1067195376.db2.gz XXSBILVDLXQBES-UHFFFAOYSA-N 0 0 452.696 4.684 20 0 JJADRN O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001458916519 1067195894 /nfs/dbraw/zinc/19/58/94/1067195894.db2.gz DWJZZWYEGPOECA-UHFFFAOYSA-N 0 0 455.358 4.740 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)C[C@H]1c1ccc(F)cc1F ZINC001451875214 1067195995 /nfs/dbraw/zinc/19/59/95/1067195995.db2.gz NANZUNJBTVYPDB-JKSUJKDBSA-N 0 0 476.829 4.621 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001458916047 1067196006 /nfs/dbraw/zinc/19/60/06/1067196006.db2.gz YSSYLOVWHFTRAE-RUZDIDTESA-N 0 0 452.551 4.659 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1CCc1ccc(F)cc1Cl ZINC001545844009 1067196202 /nfs/dbraw/zinc/19/62/02/1067196202.db2.gz PULSXKKQSFTNAT-UHFFFAOYSA-N 0 0 451.974 4.542 20 0 JJADRN COC(=O)c1nc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)sc1C1CC1 ZINC001458918590 1067196467 /nfs/dbraw/zinc/19/64/67/1067196467.db2.gz RZUMOQFKKLHBPE-UHFFFAOYSA-N 0 0 458.540 4.686 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001451901268 1067196623 /nfs/dbraw/zinc/19/66/23/1067196623.db2.gz RLJNTICFGZIOQY-RTBURBONSA-N 0 0 467.595 4.562 20 0 JJADRN O=C(CSc1ccccc1C(=O)NCC1(c2cccc(F)c2F)CCCC1)N1CCCC1 ZINC001458919541 1067197184 /nfs/dbraw/zinc/19/71/84/1067197184.db2.gz LSJJYUNTYAINMJ-UHFFFAOYSA-N 0 0 458.574 4.921 20 0 JJADRN C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2cccc(OCc3ccc(F)cc3F)c2)C1=O ZINC001458919860 1067197224 /nfs/dbraw/zinc/19/72/24/1067197224.db2.gz NVNCMYVELSKDDF-XMMPIXPASA-N 0 0 458.411 4.789 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1cccc(Nc2ncccn2)c1 ZINC001451910129 1067197292 /nfs/dbraw/zinc/19/72/92/1067197292.db2.gz GIBHCPQOWAQHBP-UHFFFAOYSA-N 0 0 450.667 4.731 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)N(C)Cc2ccc(Br)c(F)c2)n1 ZINC001458921218 1067197669 /nfs/dbraw/zinc/19/76/69/1067197669.db2.gz FHYFFAUYVIWBEJ-UHFFFAOYSA-N 0 0 450.333 4.844 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545845830 1067198034 /nfs/dbraw/zinc/19/80/34/1067198034.db2.gz UEIHKLQLIORZEB-UHFFFAOYSA-N 0 0 481.597 4.760 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccc(F)c2)C2CC2)n1C[C@]1(C)CCCS1 ZINC001545845901 1067198623 /nfs/dbraw/zinc/19/86/23/1067198623.db2.gz VVKILOKTQPBYCV-DEOSSOPVSA-N 0 0 459.635 4.790 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1C[C@@H]1CCCCS1 ZINC001545845925 1067198650 /nfs/dbraw/zinc/19/86/50/1067198650.db2.gz WEYQJVVHIVBZKC-SFHVURJKSA-N 0 0 477.625 4.929 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 ZINC001451922711 1067198764 /nfs/dbraw/zinc/19/87/64/1067198764.db2.gz VYZFMXQYOZYQMN-UHFFFAOYSA-N 0 0 454.596 4.871 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccccc1OCC(C)C ZINC001545846808 1067199187 /nfs/dbraw/zinc/19/91/87/1067199187.db2.gz BWEJMPKQTUGQDA-UHFFFAOYSA-N 0 0 485.673 4.673 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(OC)CCOC2)C1 ZINC001546104795 1067199273 /nfs/dbraw/zinc/19/92/73/1067199273.db2.gz JJFIKHAYHKWDKI-QHCPKHFHSA-N 0 0 477.447 4.838 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001458926420 1067199379 /nfs/dbraw/zinc/19/93/79/1067199379.db2.gz DEZBLWQHHMQUQW-UHFFFAOYSA-N 0 0 459.015 4.567 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC001458926348 1067199390 /nfs/dbraw/zinc/19/93/90/1067199390.db2.gz CWAFFBHHIFGSDE-UHFFFAOYSA-N 0 0 457.361 4.817 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)Nc3cc(Cl)ccc3OC(F)F)cc21 ZINC001451930086 1067199460 /nfs/dbraw/zinc/19/94/60/1067199460.db2.gz TWSUDLLDBIZVRL-GFCCVEGCSA-N 0 0 456.877 4.750 20 0 JJADRN CCn1nc(C)c(C(=O)Nc2cc(OC)c(Br)cc2Br)c1Cl ZINC001458929914 1067200014 /nfs/dbraw/zinc/20/00/14/1067200014.db2.gz HTGYVHMHLXBPNM-UHFFFAOYSA-N 0 0 451.546 4.651 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001451937214 1067200147 /nfs/dbraw/zinc/20/01/47/1067200147.db2.gz OXCMDBXANVUYHN-IEBWSBKVSA-N 0 0 461.603 4.851 20 0 JJADRN CCc1c(C(=O)N(C)Cc2ccc(Br)c(F)c2)nnn1-c1cccc(Cl)c1 ZINC001458928044 1067200132 /nfs/dbraw/zinc/20/01/32/1067200132.db2.gz VGVCGERBKRCJBU-UHFFFAOYSA-N 0 0 451.727 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001545848689 1067200368 /nfs/dbraw/zinc/20/03/68/1067200368.db2.gz DVQMNADXULZDCY-BGYRXZFFSA-N 0 0 494.709 4.969 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1Cc1cc(-c2ccccc2)no1 ZINC001545848766 1067201104 /nfs/dbraw/zinc/20/11/04/1067201104.db2.gz GDBNKPGLQINWGK-FXAWDEMLSA-N 0 0 450.587 4.525 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1cc(COC(C)(C)C)on1 ZINC001545848746 1067201230 /nfs/dbraw/zinc/20/12/30/1067201230.db2.gz FZMLPZOMZCDJRU-HSQYWUDLSA-N 0 0 486.661 4.563 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(N=S4(=O)CCCC4)cc3)C2)c1 ZINC001451963135 1067201177 /nfs/dbraw/zinc/20/11/77/1067201177.db2.gz VHKSTXGPNLYGMO-LJQANCHMSA-N 0 0 454.596 4.771 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(N=S4(=O)CCCC4)cc3)C2)c1 ZINC001451963127 1067201189 /nfs/dbraw/zinc/20/11/89/1067201189.db2.gz VHKSTXGPNLYGMO-IBGZPJMESA-N 0 0 454.596 4.771 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnc(C)s2)C1 ZINC001546104832 1067201549 /nfs/dbraw/zinc/20/15/49/1067201549.db2.gz KQOMIOLCFAAGQA-UHFFFAOYSA-N 0 0 461.433 4.932 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H](C)SCc1ccccc1 ZINC001458934178 1067201744 /nfs/dbraw/zinc/20/17/44/1067201744.db2.gz WJPLHFCDHXARKB-INIZCTEOSA-N 0 0 450.398 4.663 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545848976 1067201633 /nfs/dbraw/zinc/20/16/33/1067201633.db2.gz IODVZZQLMWKISA-GHTZIAJQSA-N 0 0 468.646 4.586 20 0 JJADRN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1nc(-c2c(F)cccc2F)cs1 ZINC001458934766 1067201846 /nfs/dbraw/zinc/20/18/46/1067201846.db2.gz KWXXDMJUXORJGU-IBGZPJMESA-N 0 0 453.392 4.598 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001451989594 1067202499 /nfs/dbraw/zinc/20/24/99/1067202499.db2.gz AXRJRDJNMUTDMO-GCJKJVERSA-N 0 0 458.521 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCc1cc(Br)ccc1F ZINC001545849322 1067202625 /nfs/dbraw/zinc/20/26/25/1067202625.db2.gz NHXXZZGAICNQQB-BEFAXECRSA-N 0 0 494.453 4.966 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1ccc3c(c1)OCCN(C(=O)OC(C)(C)C)C3)CCCC2 ZINC001451998057 1067203207 /nfs/dbraw/zinc/20/32/07/1067203207.db2.gz LBPNXEQVZSWRGN-UHFFFAOYSA-N 0 0 452.551 4.808 20 0 JJADRN Cc1cc(OCCN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)ccc1C(C)C ZINC001458937931 1067203320 /nfs/dbraw/zinc/20/33/20/1067203320.db2.gz CKCRGNKUNUBXRO-FQEVSTJZSA-N 0 0 451.386 4.788 20 0 JJADRN C[C@H]1CC2(CN1C(=O)CCOc1ccc(F)cc1Cl)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452013024 1067203681 /nfs/dbraw/zinc/20/36/81/1067203681.db2.gz JSLRJEJLBKDWBG-INIZCTEOSA-N 0 0 454.970 4.886 20 0 JJADRN Cc1cc(C(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c2cnn(C(C)C)c2n1 ZINC001452017731 1067203713 /nfs/dbraw/zinc/20/37/13/1067203713.db2.gz QHCYFVWRDACPEU-GOSISDBHSA-N 0 0 455.603 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001545849624 1067203737 /nfs/dbraw/zinc/20/37/37/1067203737.db2.gz RPNBYIXYYJACJY-APWZRJJASA-N 0 0 489.064 4.812 20 0 JJADRN COc1cc(C=O)c(Br)cc1OCCOc1ccccc1C(=O)OC(C)(C)C ZINC001458940409 1067203735 /nfs/dbraw/zinc/20/37/35/1067203735.db2.gz YHPBLOIOFMCXEV-UHFFFAOYSA-N 0 0 451.313 4.683 20 0 JJADRN C[C@@H]1CC2(CN1C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452023100 1067204123 /nfs/dbraw/zinc/20/41/23/1067204123.db2.gz FLALSWSZEGNPCF-VAMGGRTRSA-N 0 0 479.662 4.708 20 0 JJADRN C[C@@H]1CC2(CN1C(=O)CCc1cccc(OC(F)F)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452037240 1067204824 /nfs/dbraw/zinc/20/48/24/1067204824.db2.gz YHUSKQQOXKTDAK-QGZVFWFLSA-N 0 0 452.542 4.859 20 0 JJADRN COc1ccc(Br)c(CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)c1 ZINC001458946747 1067204844 /nfs/dbraw/zinc/20/48/44/1067204844.db2.gz VFWAHCQYHHLWGP-UHFFFAOYSA-N 0 0 451.342 4.741 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(OC)c(OC)c1)C1CC1 ZINC001458946008 1067204885 /nfs/dbraw/zinc/20/48/85/1067204885.db2.gz MFDIAWZJYDRYDN-FQEVSTJZSA-N 0 0 452.334 4.920 20 0 JJADRN COc1ccc(F)c2[nH]c(C(=O)NCc3cc(Cl)cc(I)c3)cc21 ZINC001452032135 1067204935 /nfs/dbraw/zinc/20/49/35/1067204935.db2.gz QRWXSSZYLCDDNK-UHFFFAOYSA-N 0 0 458.658 4.504 20 0 JJADRN CCc1csc([C@@H](C)NC(=O)c2cc(I)cc(C(F)(F)F)c2)n1 ZINC001452054791 1067205501 /nfs/dbraw/zinc/20/55/01/1067205501.db2.gz TVFPVSNDUIKRTJ-MRVPVSSYSA-N 0 0 454.255 4.820 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001546105045 1067205812 /nfs/dbraw/zinc/20/58/12/1067205812.db2.gz SBHILEVHAIYKSZ-IBGZPJMESA-N 0 0 482.597 4.530 20 0 JJADRN Cc1nc(-c2cc(NC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)n[nH]1 ZINC001452064486 1067205833 /nfs/dbraw/zinc/20/58/33/1067205833.db2.gz JOHYETYNJMCURX-XJKSGUPXSA-N 0 0 467.492 4.821 20 0 JJADRN CCC1(CC)CCc2nc(NC(=O)C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC001452085455 1067206542 /nfs/dbraw/zinc/20/65/42/1067206542.db2.gz ILMUKHBYHHXDDI-QHCPKHFHSA-N 0 0 451.633 4.529 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001546035648 1067206590 /nfs/dbraw/zinc/20/65/90/1067206590.db2.gz WFYGEABWWUQQDH-OTWHNJEPSA-N 0 0 499.647 4.671 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)C1 ZINC001546105092 1067207559 /nfs/dbraw/zinc/20/75/59/1067207559.db2.gz UTTDARMUKUEVFY-UHFFFAOYSA-N 0 0 462.436 4.593 20 0 JJADRN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(Cc1ccc(C)cc1C)CC(C)C ZINC001452104340 1067207746 /nfs/dbraw/zinc/20/77/46/1067207746.db2.gz ODAUOMUVMRSZSA-UHFFFAOYSA-N 0 0 459.546 4.908 20 0 JJADRN C[C@@H](CN(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458955456 1067207947 /nfs/dbraw/zinc/20/79/47/1067207947.db2.gz IZVVDRXSLDEWAH-NSHDSACASA-N 0 0 450.771 4.590 20 0 JJADRN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458956456 1067208574 /nfs/dbraw/zinc/20/85/74/1067208574.db2.gz JWGITDURVLRWBG-GQNMWPQZSA-N 0 0 453.341 4.578 20 0 JJADRN Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc(F)cc4Cl)C3=O)c2cc1C(C)C ZINC001458958862 1067208874 /nfs/dbraw/zinc/20/88/74/1067208874.db2.gz SGQAZFSOALVYMG-XMMPIXPASA-N 0 0 456.901 4.985 20 0 JJADRN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccc(F)cc4Cl)C3=O)c2cc1C(C)C ZINC001458958856 1067208925 /nfs/dbraw/zinc/20/89/25/1067208925.db2.gz SGQAZFSOALVYMG-DEOSSOPVSA-N 0 0 456.901 4.985 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CCC(C)(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)cc1 ZINC001452148377 1067209404 /nfs/dbraw/zinc/20/94/04/1067209404.db2.gz OUZSRZLGVZWVRK-UHFFFAOYSA-N 0 0 451.489 4.784 20 0 JJADRN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC001452146557 1067209543 /nfs/dbraw/zinc/20/95/43/1067209543.db2.gz KNTZFEFHMWFQCP-UHFFFAOYSA-N 0 0 452.580 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC001452150651 1067209898 /nfs/dbraw/zinc/20/98/98/1067209898.db2.gz VDXICFPRLHPOIP-HXUWFJFHSA-N 0 0 458.599 4.839 20 0 JJADRN C[C@@H](NC(=O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1)c1ccc(Br)cc1 ZINC001458961479 1067209952 /nfs/dbraw/zinc/20/99/52/1067209952.db2.gz MGXQIOMXGYCZPM-CYBMUJFWSA-N 0 0 457.397 4.692 20 0 JJADRN O=C(COc1nc(Cc2ccc(F)cc2)no1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001458962255 1067209968 /nfs/dbraw/zinc/20/99/68/1067209968.db2.gz UFBGEEUJTVTLIC-HSZRJFAPSA-N 0 0 451.885 4.738 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001452151469 1067210012 /nfs/dbraw/zinc/21/00/12/1067210012.db2.gz ZBHYCJWAKNCZJE-NSHDSACASA-N 0 0 450.948 4.697 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC12CC=CC2 ZINC001452150851 1067210017 /nfs/dbraw/zinc/21/00/17/1067210017.db2.gz HOZRDKWJLHMWJE-JOCHJYFZSA-N 0 0 459.011 4.982 20 0 JJADRN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452153632 1067210362 /nfs/dbraw/zinc/21/03/62/1067210362.db2.gz YJQHTYDIAJBPQE-HNNXBMFYSA-N 0 0 454.353 4.851 20 0 JJADRN Nc1c(Br)cccc1C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452153487 1067210500 /nfs/dbraw/zinc/21/05/00/1067210500.db2.gz XAHKHWPIJJRSPT-UHFFFAOYSA-N 0 0 454.147 4.565 20 0 JJADRN CC(C)Oc1ccc(CSc2nnc(-c3cncc(Br)c3)n2N)cc1Cl ZINC001458963107 1067210540 /nfs/dbraw/zinc/21/05/40/1067210540.db2.gz YBIJELZMHNAGAB-UHFFFAOYSA-N 0 0 454.781 4.549 20 0 JJADRN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452153633 1067210523 /nfs/dbraw/zinc/21/05/23/1067210523.db2.gz YJQHTYDIAJBPQE-OAHLLOKOSA-N 0 0 454.353 4.851 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001458964293 1067211642 /nfs/dbraw/zinc/21/16/42/1067211642.db2.gz HSZCZHMRQVIVRH-MHZLTWQESA-N 0 0 450.579 4.945 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCCC2)C1 ZINC001546105215 1067211978 /nfs/dbraw/zinc/21/19/78/1067211978.db2.gz ZBTOUJYZEXJUDY-UHFFFAOYSA-N 0 0 473.687 4.792 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C(C)(C)C)nn1C)C1CC1 ZINC001458965673 1067212106 /nfs/dbraw/zinc/21/21/06/1067212106.db2.gz UMVANTGHLZMREF-LJQANCHMSA-N 0 0 452.382 4.933 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC001452173950 1067212061 /nfs/dbraw/zinc/21/20/61/1067212061.db2.gz CRUYXTMIOPQRPP-GOSISDBHSA-N 0 0 458.864 4.687 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001546105225 1067212539 /nfs/dbraw/zinc/21/25/39/1067212539.db2.gz ZFYPMGOTVHFXMC-LJQANCHMSA-N 0 0 488.474 4.947 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001546105224 1067212604 /nfs/dbraw/zinc/21/26/04/1067212604.db2.gz ZFYPMGOTVHFXMC-IBGZPJMESA-N 0 0 488.474 4.947 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3cnc(-c4cccc(C(F)(F)F)c4)cn3)CC2=O)ccc1F ZINC001458970358 1067213320 /nfs/dbraw/zinc/21/33/20/1067213320.db2.gz AVCWRVOTXNEPKN-OAHLLOKOSA-N 0 0 458.415 4.602 20 0 JJADRN C/C(=C/c1ccccc1)CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001458971112 1067213642 /nfs/dbraw/zinc/21/36/42/1067213642.db2.gz YTSJRLFQDCQAHW-XDOYNYLZSA-N 0 0 454.636 4.746 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc2)CC1 ZINC001458972292 1067213719 /nfs/dbraw/zinc/21/37/19/1067213719.db2.gz FKADSFPEBGCTPW-UHFFFAOYSA-N 0 0 459.568 4.622 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1OCC ZINC001458971793 1067213793 /nfs/dbraw/zinc/21/37/93/1067213793.db2.gz CKWNWPVOUNVJBS-UHFFFAOYSA-N 0 0 454.958 4.908 20 0 JJADRN COC(=O)c1cccc2c1CN(C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F)CC2 ZINC001452199471 1067213867 /nfs/dbraw/zinc/21/38/67/1067213867.db2.gz ZLBORJRFKGVLGB-UHFFFAOYSA-N 0 0 453.489 4.568 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)NCc3cc(Cl)ccc3Br)n2)c1 ZINC001452208124 1067214302 /nfs/dbraw/zinc/21/43/02/1067214302.db2.gz XZNLGTBSKIVXHN-UHFFFAOYSA-N 0 0 452.761 4.869 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458974975 1067214336 /nfs/dbraw/zinc/21/43/36/1067214336.db2.gz QXGUEOJOZOMUJR-UHFFFAOYSA-N 0 0 454.939 4.598 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC001458975011 1067214416 /nfs/dbraw/zinc/21/44/16/1067214416.db2.gz IHNULNVUWMPDSG-INIZCTEOSA-N 0 0 451.386 4.814 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1SC ZINC001452207098 1067214355 /nfs/dbraw/zinc/21/43/55/1067214355.db2.gz UIBRZWSBIYHXNF-WFVHXPRMSA-N 0 0 482.646 4.577 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001452226555 1067214653 /nfs/dbraw/zinc/21/46/53/1067214653.db2.gz BNXZOLUYVZAIKX-DVECYGJZSA-N 0 0 453.627 4.616 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452226598 1067214727 /nfs/dbraw/zinc/21/47/27/1067214727.db2.gz BNXZOLUYVZAIKX-YADARESESA-N 0 0 453.627 4.616 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N3CC(C)(CC(F)F)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001452235587 1067215249 /nfs/dbraw/zinc/21/52/49/1067215249.db2.gz UEUQUXVHDHZNJQ-ZJSXRUAMSA-N 0 0 456.533 4.992 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)[C@H]1Cc2ccc(F)cc21 ZINC001458978406 1067215818 /nfs/dbraw/zinc/21/58/18/1067215818.db2.gz CQFRRZIFAHYIBK-ZDUSSCGKSA-N 0 0 450.169 4.832 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)cc(Cl)c1 ZINC001546105294 1067216277 /nfs/dbraw/zinc/21/62/77/1067216277.db2.gz CFKJFDNUJFAEHR-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001452259354 1067216343 /nfs/dbraw/zinc/21/63/43/1067216343.db2.gz XERFAWXJUMVCOM-BBRMVZONSA-N 0 0 452.382 4.927 20 0 JJADRN O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1c(Br)nc2n1CCCC2 ZINC001452257817 1067216385 /nfs/dbraw/zinc/21/63/85/1067216385.db2.gz PGZYNRFSYWMURI-UHFFFAOYSA-N 0 0 458.331 4.630 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC001458980778 1067216637 /nfs/dbraw/zinc/21/66/37/1067216637.db2.gz VHAAWXYIUVXRGG-SFHVURJKSA-N 0 0 454.596 4.506 20 0 JJADRN COc1cccc(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1OC(F)F ZINC001458979873 1067216705 /nfs/dbraw/zinc/21/67/05/1067216705.db2.gz HWODBBFCDROEFI-UHFFFAOYSA-N 0 0 456.371 4.516 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC001452262791 1067216782 /nfs/dbraw/zinc/21/67/82/1067216782.db2.gz VMJPQBGVTIGSNJ-PXNSSMCTSA-N 0 0 458.942 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)C(C)(C)C1 ZINC001452263281 1067216831 /nfs/dbraw/zinc/21/68/31/1067216831.db2.gz AGWRIFPCSGSHKG-JOCHJYFZSA-N 0 0 456.558 4.914 20 0 JJADRN CCOc1ccc(OCCSc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)cc1 ZINC001458981403 1067217156 /nfs/dbraw/zinc/21/71/56/1067217156.db2.gz LJPAGYSQXMJCCS-UHFFFAOYSA-N 0 0 453.955 4.948 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)c(C)n1[C@@H]1CCCOC1 ZINC001452270842 1067217208 /nfs/dbraw/zinc/21/72/08/1067217208.db2.gz CIADSQVLZSVMFM-YFNKSVMNSA-N 0 0 452.595 4.654 20 0 JJADRN CC[C@H](CNC(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)C(=O)OC ZINC001452270984 1067217261 /nfs/dbraw/zinc/21/72/61/1067217261.db2.gz LBKSPYQRKFOGJF-OAHLLOKOSA-N 0 0 457.368 4.845 20 0 JJADRN Cc1noc(C)c1CCC(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458981943 1067217811 /nfs/dbraw/zinc/21/78/11/1067217811.db2.gz OBYPKSBUMSJJBT-UHFFFAOYSA-N 0 0 453.198 4.591 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2sccc2NC(=O)c2ccncc2)C[C@H]1c1ccccc1 ZINC001452273046 1067217870 /nfs/dbraw/zinc/21/78/70/1067217870.db2.gz RYMGMRVOQJGDCX-VQTJNVASSA-N 0 0 477.586 4.593 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1)NCc1ccc(F)cc1 ZINC001452280079 1067218284 /nfs/dbraw/zinc/21/82/84/1067218284.db2.gz PTOXECSPQLJXBO-SFHVURJKSA-N 0 0 450.476 4.879 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452280262 1067218378 /nfs/dbraw/zinc/21/83/78/1067218378.db2.gz QVRWPKXOVYCPCJ-QGZVFWFLSA-N 0 0 457.596 4.878 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccccc2COC2CCOCC2)C[C@H]1c1ccccc1 ZINC001452278063 1067218387 /nfs/dbraw/zinc/21/83/87/1067218387.db2.gz ZRHMSNQYDWIMQG-LOSJGSFVSA-N 0 0 465.590 4.580 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001546104889 1067219157 /nfs/dbraw/zinc/21/91/57/1067219157.db2.gz MNOUQRQEYBMCNE-FQEVSTJZSA-N 0 0 482.019 4.971 20 0 JJADRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)n[nH]1 ZINC001452334699 1067219818 /nfs/dbraw/zinc/21/98/18/1067219818.db2.gz IKLQPGDWSUUFBN-UHFFFAOYSA-N 0 0 459.840 4.983 20 0 JJADRN CC(C)(C)OC(=O)Cn1cc(NC(=O)c2ccccc2NCCc2ccc(Cl)cc2)cn1 ZINC001452327586 1067219849 /nfs/dbraw/zinc/21/98/49/1067219849.db2.gz NREXBBGZGUYWSU-UHFFFAOYSA-N 0 0 454.958 4.785 20 0 JJADRN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC001458986512 1067220066 /nfs/dbraw/zinc/22/00/66/1067220066.db2.gz UJFIDIYRGRNEEM-UHFFFAOYSA-N 0 0 458.374 4.573 20 0 JJADRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc(Cl)cc(Br)c2N)n[nH]1 ZINC001452336633 1067220221 /nfs/dbraw/zinc/22/02/21/1067220221.db2.gz JURVCYNTODFENJ-UHFFFAOYSA-N 0 0 456.127 4.989 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1c[nH]nc1C(=O)OC(C)(C)C ZINC001452341233 1067220405 /nfs/dbraw/zinc/22/04/05/1067220405.db2.gz GMWORJSDUXELKF-UHFFFAOYSA-N 0 0 452.540 4.671 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](Cc2ccccc2)c2ncco2)cc1 ZINC001452408100 1067221981 /nfs/dbraw/zinc/22/19/81/1067221981.db2.gz UNPAESMCAZRYHH-GOSISDBHSA-N 0 0 451.324 4.645 20 0 JJADRN CCc1c(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)nnn1Cc1ccc(F)cc1 ZINC001458990857 1067222029 /nfs/dbraw/zinc/22/20/29/1067222029.db2.gz RUESYJQZUVWRTK-UHFFFAOYSA-N 0 0 453.424 4.746 20 0 JJADRN Cc1cc(Br)ccc1CSc1nnc(-c2ccc(Br)cc2)n1N ZINC001458991042 1067222050 /nfs/dbraw/zinc/22/20/50/1067222050.db2.gz FMFZBEUDLWOJRX-UHFFFAOYSA-N 0 0 454.191 4.785 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)cc1OCCC ZINC001452412517 1067222259 /nfs/dbraw/zinc/22/22/59/1067222259.db2.gz IHALBCMVJPMXQW-QFIPXVFZSA-N 0 0 450.373 4.664 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001452414370 1067222268 /nfs/dbraw/zinc/22/22/68/1067222268.db2.gz CWCZEGZYJUZVNY-FGZHOGPDSA-N 0 0 454.567 4.768 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(S[C@H](C)c4ccc(Br)cc4)n3N)n[nH]2)cc1 ZINC001458992786 1067222529 /nfs/dbraw/zinc/22/25/29/1067222529.db2.gz WNWWKYBCODJBPS-CYBMUJFWSA-N 0 0 455.385 4.973 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C(=O)N3CCC[C@H](C)C3)C(C)C)nnc2-c2ccco2)cc1 ZINC001458992438 1067222617 /nfs/dbraw/zinc/22/26/17/1067222617.db2.gz HWBLVVDREFEIQG-LAUBAEHRSA-N 0 0 454.596 4.911 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1ncco1)c1c(F)cccc1F ZINC001452415522 1067222867 /nfs/dbraw/zinc/22/28/67/1067222867.db2.gz CASKMLIIBJZSKD-AZUAARDMSA-N 0 0 457.477 4.619 20 0 JJADRN CO[C@@H](C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1ccccc1C(F)(F)F ZINC001452429133 1067223284 /nfs/dbraw/zinc/22/32/84/1067223284.db2.gz JHIXEQOHEATTDK-OAQYLSRUSA-N 0 0 455.440 4.667 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC001452429928 1067223431 /nfs/dbraw/zinc/22/34/31/1067223431.db2.gz DYUPVSZGQFZWNF-GOTSBHOMSA-N 0 0 450.604 4.654 20 0 JJADRN Cc1c(NC(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001458995681 1067223756 /nfs/dbraw/zinc/22/37/56/1067223756.db2.gz FMRFQIVNKHKOAI-UHFFFAOYSA-N 0 0 459.403 4.607 20 0 JJADRN CC(C)(CO)[C@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1cccnc1 ZINC001452438486 1067223740 /nfs/dbraw/zinc/22/37/40/1067223740.db2.gz MGKRCCFJKPGDOH-JOCHJYFZSA-N 0 0 450.926 4.670 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)Cc2ccccc2OCc2ccncc2)c1 ZINC001458995815 1067223879 /nfs/dbraw/zinc/22/38/79/1067223879.db2.gz OVNKGAYTLQMKJY-UHFFFAOYSA-N 0 0 455.352 4.633 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3nnn(Cc4ccccc4F)c3C)s2)c(F)c1 ZINC001458995623 1067223982 /nfs/dbraw/zinc/22/39/82/1067223982.db2.gz DGOBDKPRFHEWRU-UHFFFAOYSA-N 0 0 455.490 4.606 20 0 JJADRN O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001458997214 1067224319 /nfs/dbraw/zinc/22/43/19/1067224319.db2.gz KKCYZLKNPHJNCM-UHFFFAOYSA-N 0 0 451.436 4.833 20 0 JJADRN O=C(CCn1cnc2sccc2c1=O)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC001458997186 1067224337 /nfs/dbraw/zinc/22/43/37/1067224337.db2.gz HEQWYFQHSRNSHX-UHFFFAOYSA-N 0 0 451.253 4.917 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001452443151 1067224359 /nfs/dbraw/zinc/22/43/59/1067224359.db2.gz YXUXTOZTLSFLPD-NRFANRHFSA-N 0 0 454.368 4.863 20 0 JJADRN CCOc1ccc(-n2c(S[C@H](C)C(=O)N3CCCCCC3)nnc2-c2ccccn2)cc1 ZINC001458997471 1067224824 /nfs/dbraw/zinc/22/48/24/1067224824.db2.gz PDXZVZJFZAOJRW-GOSISDBHSA-N 0 0 451.596 4.611 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001546038725 1067224766 /nfs/dbraw/zinc/22/47/66/1067224766.db2.gz XIXUFMBKIDWPFH-LJQANCHMSA-N 0 0 477.694 4.692 20 0 JJADRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2cccc(Br)c2C1 ZINC001452452568 1067224782 /nfs/dbraw/zinc/22/47/82/1067224782.db2.gz JSOVZQHIISFNKN-KBPBESRZSA-N 0 0 456.258 4.872 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452456548 1067225231 /nfs/dbraw/zinc/22/52/31/1067225231.db2.gz ZCVAGHCOXUXFDT-GFCCVEGCSA-N 0 0 459.262 4.517 20 0 JJADRN CC1CCN(C(=O)COc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)CC1 ZINC001459000108 1067225838 /nfs/dbraw/zinc/22/58/38/1067225838.db2.gz WLIYOMQFQLGVQO-UHFFFAOYSA-N 0 0 456.340 4.803 20 0 JJADRN CCc1c(NC(=O)Cc2cc(Cl)ccc2Br)nnn1Cc1ccc(F)cc1 ZINC001459000673 1067226098 /nfs/dbraw/zinc/22/60/98/1067226098.db2.gz RDADPPRTDHZDDM-UHFFFAOYSA-N 0 0 451.727 4.625 20 0 JJADRN Cc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)nn1-c1ccccc1 ZINC001459003132 1067226756 /nfs/dbraw/zinc/22/67/56/1067226756.db2.gz CVKUQVLDRPGDAY-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C1 ZINC001452484517 1067226889 /nfs/dbraw/zinc/22/68/89/1067226889.db2.gz PGTPUCNZXRIXCZ-OXJNMPFZSA-N 0 0 458.580 4.831 20 0 JJADRN Cc1csc2nc(COc3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)n12 ZINC001459002790 1067226791 /nfs/dbraw/zinc/22/67/91/1067226791.db2.gz WVUSHGDMBLCOFX-UHFFFAOYSA-N 0 0 459.449 4.915 20 0 JJADRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001452487596 1067227193 /nfs/dbraw/zinc/22/71/93/1067227193.db2.gz VVAQZELVQNSESY-HNAYVOBHSA-N 0 0 450.304 4.605 20 0 JJADRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC001452489361 1067227616 /nfs/dbraw/zinc/22/76/16/1067227616.db2.gz WTVOORXFJSMXLR-VFNWGFHPSA-N 0 0 459.514 4.983 20 0 JJADRN C[C@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452493518 1067228078 /nfs/dbraw/zinc/22/80/78/1067228078.db2.gz HXVUVLOZXJFTIN-HRCADAONSA-N 0 0 466.607 4.876 20 0 JJADRN COc1ccc(C(=O)NCC[C@H](C)CC(C)(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001459009752 1067228105 /nfs/dbraw/zinc/22/81/05/1067228105.db2.gz ZFEKDKPXEPJNBR-GBESFXJTSA-N 0 0 452.661 4.554 20 0 JJADRN Cc1cc(Br)c(Cn2nnc(Cc3cccc(Br)c3)n2)cc1Cl ZINC001459010759 1067228266 /nfs/dbraw/zinc/22/82/66/1067228266.db2.gz PNVBLHFEKRNAPA-UHFFFAOYSA-N 0 0 456.569 4.799 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001452496967 1067228583 /nfs/dbraw/zinc/22/85/83/1067228583.db2.gz SYVNTEPSOPBEMD-UHFFFAOYSA-N 0 0 459.346 4.622 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(Cn2ccccc2=O)o1 ZINC001459013380 1067228630 /nfs/dbraw/zinc/22/86/30/1067228630.db2.gz KYXLGDYWXRAXAK-INIZCTEOSA-N 0 0 458.358 4.932 20 0 JJADRN C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498505 1067229077 /nfs/dbraw/zinc/22/90/77/1067229077.db2.gz NEDSAMMWSUJNPA-MTHXSQLBSA-N 0 0 452.636 4.579 20 0 JJADRN CC(C)[C@@H](NC(=O)COc1ccc(F)c(Br)c1)c1ccc2c(c1)OCCCO2 ZINC001459015195 1067229170 /nfs/dbraw/zinc/22/91/70/1067229170.db2.gz KOTVHTCSWLUHNF-OAQYLSRUSA-N 0 0 452.320 4.642 20 0 JJADRN Cc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)n1[C@@H](C)c1ccccc1 ZINC001452499175 1067229517 /nfs/dbraw/zinc/22/95/17/1067229517.db2.gz ZBPHZFGMCZUMPG-HNAYVOBHSA-N 0 0 453.505 4.900 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2cccc(Br)c2C)cc(Br)c1O ZINC001452500843 1067229609 /nfs/dbraw/zinc/22/96/09/1067229609.db2.gz CSZNSQKZVOCUKE-SREVYHEPSA-N 0 0 455.146 4.564 20 0 JJADRN CC(C)[C@H](NC(=O)COc1c(C=O)cc(Cl)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC001459017449 1067229639 /nfs/dbraw/zinc/22/96/39/1067229639.db2.gz MEPFVYRHXIYPCS-DEOSSOPVSA-N 0 0 453.922 4.969 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001546039577 1067229992 /nfs/dbraw/zinc/22/99/92/1067229992.db2.gz DQMSKUKNYSVBRF-QFIPXVFZSA-N 0 0 497.709 4.970 20 0 JJADRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSC1=N[C@@H](C)CS1 ZINC001459018391 1067230301 /nfs/dbraw/zinc/23/03/01/1067230301.db2.gz OUUWOZQVQDLTSR-LBPRGKRZSA-N 0 0 450.607 4.763 20 0 JJADRN CC1(C)Cc2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)sc2-c2ccccc21 ZINC001452520112 1067230604 /nfs/dbraw/zinc/23/06/04/1067230604.db2.gz ZSFVZERCNGAODW-AWEZNQCLSA-N 0 0 450.526 4.780 20 0 JJADRN COC(=O)c1ccc(CNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001459022721 1067230651 /nfs/dbraw/zinc/23/06/51/1067230651.db2.gz CCNOWGYSXOBBOQ-XFXZXTDPSA-N 0 0 456.258 4.974 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCCCC[C@H]2CO)c1=S ZINC001452528103 1067231690 /nfs/dbraw/zinc/23/16/90/1067231690.db2.gz AAVKOIHBATWWTQ-IBGZPJMESA-N 0 0 451.036 4.688 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459028268 1067232194 /nfs/dbraw/zinc/23/21/94/1067232194.db2.gz YMCKVDZVIIDSHV-CQSZACIVSA-N 0 0 453.954 4.748 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001459027977 1067232316 /nfs/dbraw/zinc/23/23/16/1067232316.db2.gz HMFMAVQPRVSRFT-UHFFFAOYSA-N 0 0 459.917 4.679 20 0 JJADRN CCC(CC)(C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc(OC)c(OC)c1 ZINC001459028236 1067232703 /nfs/dbraw/zinc/23/27/03/1067232703.db2.gz CCBAUYLXJNSPJF-UHFFFAOYSA-N 0 0 456.974 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3nc(C4CC4)c[nH]3)c(Br)c2C1 ZINC001452551414 1067233214 /nfs/dbraw/zinc/23/32/14/1067233214.db2.gz NTAGHSDZQVBUBV-UHFFFAOYSA-N 0 0 453.362 4.614 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N[C@H](C1CC1)C1(CO)CCOCC1 ZINC001452556407 1067233621 /nfs/dbraw/zinc/23/36/21/1067233621.db2.gz YOOVKVWWIQPJFX-GOSISDBHSA-N 0 0 455.407 4.723 20 0 JJADRN CC(C)[C@@H](Sc1nnc(CO)n1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459031219 1067233804 /nfs/dbraw/zinc/23/38/04/1067233804.db2.gz RVVRDEBYHCYMMO-GOSISDBHSA-N 0 0 451.379 4.822 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC001452561520 1067234192 /nfs/dbraw/zinc/23/41/92/1067234192.db2.gz FHYHGFWCSZTRTG-IAGOWNOFSA-N 0 0 456.505 4.815 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001459033315 1067234816 /nfs/dbraw/zinc/23/48/16/1067234816.db2.gz MBNVYSPTPXQGGO-IERDGZPVSA-N 0 0 454.979 4.934 20 0 JJADRN CCc1c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cnn1-c1ccc(Cl)cc1 ZINC001452574083 1067235295 /nfs/dbraw/zinc/23/52/95/1067235295.db2.gz YUWKGIPEOSBIHM-PMACEKPBSA-N 0 0 458.990 4.654 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)C(C)C)cc3)c2)cc1 ZINC001452597704 1067235784 /nfs/dbraw/zinc/23/57/84/1067235784.db2.gz JRWQMUVKAHYVJE-UHFFFAOYSA-N 0 0 452.532 4.587 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1cc(CC)nc2onc(CC(C)(C)C)c21)c1ccccc1 ZINC001459036245 1067235779 /nfs/dbraw/zinc/23/57/79/1067235779.db2.gz PGFWFTRPLWHLOJ-AREMUKBSSA-N 0 0 451.567 4.625 20 0 JJADRN COc1cc(C(=O)Nc2n[nH]c(C)c2Cl)ccc1OCc1ccc(Br)cc1 ZINC001452602112 1067236291 /nfs/dbraw/zinc/23/62/91/1067236291.db2.gz AFKCSHKLJUELPW-UHFFFAOYSA-N 0 0 450.720 4.974 20 0 JJADRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001546040710 1067236328 /nfs/dbraw/zinc/23/63/28/1067236328.db2.gz KUMQGHDEZGCVHU-BLLLJJGKSA-N 0 0 451.411 4.805 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCOc2cccc(Br)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452610339 1067236874 /nfs/dbraw/zinc/23/68/74/1067236874.db2.gz BBXNPIKKPDVMPV-VQTJNVASSA-N 0 0 480.786 4.677 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001459042068 1067237219 /nfs/dbraw/zinc/23/72/19/1067237219.db2.gz BMPMBQXDBYROCW-CYFREDJKSA-N 0 0 458.396 4.869 20 0 JJADRN O=C(CSc1nc2c(o1)c(Cl)cc(Cl)c2Cl)NC(=O)NCc1cccs1 ZINC001459041659 1067237244 /nfs/dbraw/zinc/23/72/44/1067237244.db2.gz OXJFPKDQXWNELX-UHFFFAOYSA-N 0 0 450.756 4.968 20 0 JJADRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSCCC(=O)OC(C)(C)C)cc1 ZINC001459042003 1067237352 /nfs/dbraw/zinc/23/73/52/1067237352.db2.gz RUEGHVSDTLDJRX-QFIPXVFZSA-N 0 0 454.592 4.838 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)C1(C(F)(F)F)CCC1 ZINC001459042086 1067237390 /nfs/dbraw/zinc/23/73/90/1067237390.db2.gz BPAVXEMPUOQUGW-AWEZNQCLSA-N 0 0 450.295 4.698 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001452613147 1067237320 /nfs/dbraw/zinc/23/73/20/1067237320.db2.gz LPCRSAWUBMTBMV-VQTJNVASSA-N 0 0 472.969 4.645 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccsc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452614356 1067237397 /nfs/dbraw/zinc/23/73/97/1067237397.db2.gz WAJWRTSJKUGGQX-VQTJNVASSA-N 0 0 468.962 4.683 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001459043854 1067237717 /nfs/dbraw/zinc/23/77/17/1067237717.db2.gz FAJRWHPUGMHEID-IBGZPJMESA-N 0 0 450.432 4.576 20 0 JJADRN Cc1cc(N2CCC[C@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)ccc1Br ZINC001459044095 1067237827 /nfs/dbraw/zinc/23/78/27/1067237827.db2.gz XIKDVJKNGAHHNH-SFHVURJKSA-N 0 0 457.397 4.754 20 0 JJADRN O=C(Nc1ccc(Br)c(CO)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001452624081 1067238222 /nfs/dbraw/zinc/23/82/22/1067238222.db2.gz GGJVFRPFFQPBIP-UHFFFAOYSA-N 0 0 458.209 4.537 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(Br)c(CO)c1 ZINC001452624935 1067238377 /nfs/dbraw/zinc/23/83/77/1067238377.db2.gz MMQAXANHEUVENT-UHFFFAOYSA-N 0 0 456.336 4.580 20 0 JJADRN CC[C@@H](CC(F)(F)F)C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001459050237 1067239224 /nfs/dbraw/zinc/23/92/24/1067239224.db2.gz VYMNOGIBIGMMSR-DZGCQCFKSA-N 0 0 452.311 4.944 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001546041392 1067239306 /nfs/dbraw/zinc/23/93/06/1067239306.db2.gz ANLHQVDXEROYEM-QFIPXVFZSA-N 0 0 499.681 4.874 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001452647642 1067240267 /nfs/dbraw/zinc/24/02/67/1067240267.db2.gz CDJGYRFELBHEFH-UHFFFAOYSA-N 0 0 451.355 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)CC1 ZINC001452653367 1067240835 /nfs/dbraw/zinc/24/08/35/1067240835.db2.gz MPTIVWKYNIOYHR-UHFFFAOYSA-N 0 0 453.377 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001459056278 1067241003 /nfs/dbraw/zinc/24/10/03/1067241003.db2.gz YSDGIOQYGXWMRC-MBSDFSHPSA-N 0 0 452.517 4.890 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001546041836 1067241304 /nfs/dbraw/zinc/24/13/04/1067241304.db2.gz PPGAVRVIDQXMED-UHFFFAOYSA-N 0 0 470.561 4.829 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)c1 ZINC001452657233 1067241444 /nfs/dbraw/zinc/24/14/44/1067241444.db2.gz WVMBMLZVUWHGQT-UHFFFAOYSA-N 0 0 454.506 4.694 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)CC2)n1 ZINC001452655652 1067241506 /nfs/dbraw/zinc/24/15/06/1067241506.db2.gz LNJSJQOVUFRUFE-UHFFFAOYSA-N 0 0 453.633 4.792 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(OC)c(Cl)cc2C2CC2)c1 ZINC001452660942 1067241782 /nfs/dbraw/zinc/24/17/82/1067241782.db2.gz HBZQYMVVWZZWON-UHFFFAOYSA-N 0 0 458.971 4.855 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001459062565 1067241825 /nfs/dbraw/zinc/24/18/25/1067241825.db2.gz YGGVCNDKAIWKCD-SFHVURJKSA-N 0 0 458.002 4.819 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC2CCOCC2)C1 ZINC001546106174 1067241835 /nfs/dbraw/zinc/24/18/35/1067241835.db2.gz LUOLOTBINBWZBC-UHFFFAOYSA-N 0 0 462.038 4.843 20 0 JJADRN CCOc1ccc(-c2nc(COc3cc(/C=C\C(=O)OC)ccc3OC)cs2)cc1OC ZINC001459063220 1067242486 /nfs/dbraw/zinc/24/24/86/1067242486.db2.gz JHGSKBOHLKTVSE-XFFZJAGNSA-N 0 0 455.532 4.991 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 ZINC001546042015 1067242470 /nfs/dbraw/zinc/24/24/70/1067242470.db2.gz VDIIWHLBOKYSHR-SFHVURJKSA-N 0 0 462.570 4.950 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001452681431 1067242983 /nfs/dbraw/zinc/24/29/83/1067242983.db2.gz LJCYFDGWUPBVOB-JFTIXFDTSA-N 0 0 456.627 4.635 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)cc1C1CC1 ZINC001452677878 1067243005 /nfs/dbraw/zinc/24/30/05/1067243005.db2.gz ADRJHWURWHXNBA-XKCSPQBFSA-N 0 0 458.599 4.640 20 0 JJADRN COc1ccc(-c2nc(SCC(=O)Cc3ccccc3Cl)n[nH]2)cc1Br ZINC001459068359 1067243242 /nfs/dbraw/zinc/24/32/42/1067243242.db2.gz HCTCRTILCVZOIB-UHFFFAOYSA-N 0 0 452.761 4.800 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cccc(C)c1 ZINC001546043143 1067245984 /nfs/dbraw/zinc/24/59/84/1067245984.db2.gz JRTXZDFFGBVORZ-FQEVSTJZSA-N 0 0 457.619 4.978 20 0 JJADRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452726150 1067246510 /nfs/dbraw/zinc/24/65/10/1067246510.db2.gz LFAXXLPRNQKXEG-HSZRJFAPSA-N 0 0 451.954 4.899 20 0 JJADRN COc1cccc(N(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2C)C(=O)OC(C)(C)C)c1 ZINC001452735233 1067247039 /nfs/dbraw/zinc/24/70/39/1067247039.db2.gz GEAGXAVPHFFOGX-UHFFFAOYSA-N 0 0 450.539 4.878 20 0 JJADRN O=C(Nc1ccccc1Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001546042705 1067247118 /nfs/dbraw/zinc/24/71/18/1067247118.db2.gz VCMHOCLVSOWRDW-SFHVURJKSA-N 0 0 453.539 4.609 20 0 JJADRN O=C(Cn1cc(Br)cc(F)c1=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001459079031 1067247402 /nfs/dbraw/zinc/24/74/02/1067247402.db2.gz WHHFADYAGCMUDL-UHFFFAOYSA-N 0 0 451.679 4.834 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2c[nH]c3ncc(Br)cc23)c2ccccc21 ZINC001452739918 1067247634 /nfs/dbraw/zinc/24/76/34/1067247634.db2.gz ADHJGRVMUUKZFI-FUHWJXTLSA-N 0 0 456.340 4.626 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN(C(=O)[C@H](C)Sc3ccc(Br)cc3)CC2)n1 ZINC001452742033 1067247667 /nfs/dbraw/zinc/24/76/67/1067247667.db2.gz YTSXQVHOZJAWDQ-AWEZNQCLSA-N 0 0 451.434 4.653 20 0 JJADRN O=C(NCCNc1ncccn1)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001452746539 1067248030 /nfs/dbraw/zinc/24/80/30/1067248030.db2.gz IDSCALAVJOWCSY-UHFFFAOYSA-N 0 0 459.362 4.540 20 0 JJADRN CCC(O)(CC)Cn1c(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001546042995 1067248465 /nfs/dbraw/zinc/24/84/65/1067248465.db2.gz FEYMLKJWIFPAEP-QGZVFWFLSA-N 0 0 487.636 4.598 20 0 JJADRN CCC(O)(CC)Cn1c(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001546042994 1067248608 /nfs/dbraw/zinc/24/86/08/1067248608.db2.gz FEYMLKJWIFPAEP-KRWDZBQOSA-N 0 0 487.636 4.598 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)Sc1nnc2ccc(Br)cn21)c1ccc2c(c1)CCCC2 ZINC001459086971 1067248756 /nfs/dbraw/zinc/24/87/56/1067248756.db2.gz KYKWZFGTSZXWCG-KGLIPLIRSA-N 0 0 459.413 4.729 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 ZINC001546105960 1067248797 /nfs/dbraw/zinc/24/87/97/1067248797.db2.gz DREUAJUFZNYRSU-UHFFFAOYSA-N 0 0 453.562 4.741 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC001546043579 1067249094 /nfs/dbraw/zinc/24/90/94/1067249094.db2.gz XCOZUJBELWWVDR-HKBOAZHASA-N 0 0 493.693 4.543 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)nc2)c1 ZINC001452763152 1067249567 /nfs/dbraw/zinc/24/95/67/1067249567.db2.gz CHUMELHVOQPWDX-VMPBMTGNSA-N 0 0 455.580 4.873 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001452766678 1067250074 /nfs/dbraw/zinc/25/00/74/1067250074.db2.gz RWPZGAYPDLUZEQ-VJVDVCSOSA-N 0 0 456.652 4.964 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001546106282 1067250160 /nfs/dbraw/zinc/25/01/60/1067250160.db2.gz PYNBAZSNXUJJER-UHFFFAOYSA-N 0 0 453.631 4.619 20 0 JJADRN CC(=O)N(c1nc(Cn2cnc3c(c2=O)CC(C)(C)CC3)cs1)c1c(C)cc(C)cc1C ZINC001459099919 1067250259 /nfs/dbraw/zinc/25/02/59/1067250259.db2.gz WNQVBSXVHYZSQP-UHFFFAOYSA-N 0 0 450.608 4.873 20 0 JJADRN Cc1cc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452773558 1067250888 /nfs/dbraw/zinc/25/08/88/1067250888.db2.gz DFTUVWUJGRXOTE-OAHLLOKOSA-N 0 0 452.477 4.785 20 0 JJADRN C[C@@H](SCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1cccc(Br)c1 ZINC001459104430 1067251051 /nfs/dbraw/zinc/25/10/51/1067251051.db2.gz RPEWOOHWEPBMLZ-LLVKDONJSA-N 0 0 452.765 4.511 20 0 JJADRN CCOc1ccc(C(=O)COc2c(I)cccc2C(F)(F)F)cc1 ZINC001459102358 1067251120 /nfs/dbraw/zinc/25/11/20/1067251120.db2.gz BZXURIPONYSMQK-UHFFFAOYSA-N 0 0 450.194 4.970 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@@H]3C)n2)c1 ZINC001452777950 1067251222 /nfs/dbraw/zinc/25/12/22/1067251222.db2.gz SGODDXOQDSVUSN-UFYCRDLUSA-N 0 0 450.608 4.647 20 0 JJADRN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H](Cc2ccccc2)c2nccn2C)cc1 ZINC001452777447 1067251281 /nfs/dbraw/zinc/25/12/81/1067251281.db2.gz QQHFYXRHJKGFBI-QHCPKHFHSA-N 0 0 459.619 4.922 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)nc2)c1 ZINC001452779414 1067251941 /nfs/dbraw/zinc/25/19/41/1067251941.db2.gz YGIJPHZZHQYSRV-UHFFFAOYSA-N 0 0 450.516 4.614 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOC[C@H]2C)C1 ZINC001546106353 1067252096 /nfs/dbraw/zinc/25/20/96/1067252096.db2.gz UCCUJHGGCMPTFA-QGZVFWFLSA-N 0 0 466.457 4.989 20 0 JJADRN C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC001459107557 1067252106 /nfs/dbraw/zinc/25/21/06/1067252106.db2.gz IYIQUMXMSHXZJE-JTQLQIEISA-N 0 0 456.269 4.543 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459107973 1067252138 /nfs/dbraw/zinc/25/21/38/1067252138.db2.gz CEINGSYVDMNTRZ-XMMPIXPASA-N 0 0 454.526 4.836 20 0 JJADRN Cc1c(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC001459107984 1067252144 /nfs/dbraw/zinc/25/21/44/1067252144.db2.gz CMFZLDOMWWFOAO-RUZDIDTESA-N 0 0 457.505 4.577 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC001459107373 1067252177 /nfs/dbraw/zinc/25/21/77/1067252177.db2.gz KBDWWNSRZLFCAR-PMACEKPBSA-N 0 0 452.595 4.615 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)O[C@H]1CCc2cccnc21 ZINC001459108650 1067252490 /nfs/dbraw/zinc/25/24/90/1067252490.db2.gz ISNWGFLPEYPBOJ-FQEVSTJZSA-N 0 0 451.320 4.870 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)O[C@@H]1CCc2cccnc21 ZINC001459108654 1067252561 /nfs/dbraw/zinc/25/25/61/1067252561.db2.gz ISNWGFLPEYPBOJ-HXUWFJFHSA-N 0 0 451.320 4.870 20 0 JJADRN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1nc(C(F)F)cc(=O)[nH]1 ZINC001459111384 1067253096 /nfs/dbraw/zinc/25/30/96/1067253096.db2.gz QMTXNZIPOPOKKD-UHFFFAOYSA-N 0 0 459.518 4.840 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@H](Sc2ncc(CO)n2Cc2cccc(F)c2)C(C)C)c1 ZINC001459111638 1067253109 /nfs/dbraw/zinc/25/31/09/1067253109.db2.gz LGWOBLCIEJTUSN-JOCHJYFZSA-N 0 0 455.555 4.521 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)O1 ZINC001546044427 1067253250 /nfs/dbraw/zinc/25/32/50/1067253250.db2.gz BDULAMXCCGSATQ-KSFYIVLOSA-N 0 0 485.526 4.558 20 0 JJADRN Cc1ccc(I)cc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001459116267 1067253459 /nfs/dbraw/zinc/25/34/59/1067253459.db2.gz BYQVWHVEWHRJQA-UHFFFAOYSA-N 0 0 459.209 4.607 20 0 JJADRN CN1c2ccccc2S(=O)(=O)N(CC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O ZINC001459114905 1067253495 /nfs/dbraw/zinc/25/34/95/1067253495.db2.gz YMJZIGFZQLRMJP-UHFFFAOYSA-N 0 0 456.907 4.576 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCC[C@@]3(C)Cc3cccc(Cl)c3)c2)cc1 ZINC001452803738 1067253706 /nfs/dbraw/zinc/25/37/06/1067253706.db2.gz UDIRABRRIFHDTN-DEOSSOPVSA-N 0 0 456.995 4.924 20 0 JJADRN Cc1c(C(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001452805431 1067254053 /nfs/dbraw/zinc/25/40/53/1067254053.db2.gz MRVGRZWAWIQZEV-QGZVFWFLSA-N 0 0 451.567 4.574 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001459117575 1067254058 /nfs/dbraw/zinc/25/40/58/1067254058.db2.gz WJKFJBAQDOYOST-SFHVURJKSA-N 0 0 456.311 4.845 20 0 JJADRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459116357 1067254092 /nfs/dbraw/zinc/25/40/92/1067254092.db2.gz CEAMZIJBRGXLKV-JOCHJYFZSA-N 0 0 455.396 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC001452804222 1067254210 /nfs/dbraw/zinc/25/42/10/1067254210.db2.gz MBABCPDWSHQMCW-QGZVFWFLSA-N 0 0 450.457 4.567 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc1OC ZINC001459118117 1067254622 /nfs/dbraw/zinc/25/46/22/1067254622.db2.gz GUKUTLHMOISXSY-OAHLLOKOSA-N 0 0 450.560 4.697 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC001459119406 1067254628 /nfs/dbraw/zinc/25/46/28/1067254628.db2.gz RETYYRUIGQMMFN-UHFFFAOYSA-N 0 0 454.236 4.813 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)C2CCCCC2)O1 ZINC001546044719 1067254697 /nfs/dbraw/zinc/25/46/97/1067254697.db2.gz FQJJSRVTNCDXHE-JVFUWBCBSA-N 0 0 454.619 4.678 20 0 JJADRN CC1CCN(c2ccc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)cn2)CC1 ZINC001459119722 1067254977 /nfs/dbraw/zinc/25/49/77/1067254977.db2.gz ZNAWKUGGRMYCFO-RUZDIDTESA-N 0 0 457.574 4.575 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1 ZINC001452815955 1067255039 /nfs/dbraw/zinc/25/50/39/1067255039.db2.gz NKGSOXHADXMJJT-VGOFRKELSA-N 0 0 451.567 4.578 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001452816741 1067255103 /nfs/dbraw/zinc/25/51/03/1067255103.db2.gz RXIADOSOGKWHOL-SANMLTNESA-N 0 0 451.542 4.658 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)cc1F ZINC001459120107 1067255506 /nfs/dbraw/zinc/25/55/06/1067255506.db2.gz JMCRYOVAMCRJTK-GOSISDBHSA-N 0 0 455.486 4.718 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001459123565 1067256070 /nfs/dbraw/zinc/25/60/70/1067256070.db2.gz PGZSABPKCAVUIF-UHFFFAOYSA-N 0 0 457.315 4.980 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1N1CCOCC1 ZINC001459125250 1067256175 /nfs/dbraw/zinc/25/61/75/1067256175.db2.gz OMOVHEGXROLMPF-JOCHJYFZSA-N 0 0 457.412 4.735 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001452826597 1067256099 /nfs/dbraw/zinc/25/60/99/1067256099.db2.gz CXWRQZMKRYSBEU-AUSIDOKSSA-N 0 0 452.599 4.849 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459125674 1067256460 /nfs/dbraw/zinc/25/64/60/1067256460.db2.gz RURMNADHNMKJPQ-OAQYLSRUSA-N 0 0 455.396 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2csc(-c3ccccc3)n2)C[C@H]1[C@@H]1CCCO1 ZINC001452839968 1067256627 /nfs/dbraw/zinc/25/66/27/1067256627.db2.gz JMFBVKRXGCOTAQ-FHWLQOOXSA-N 0 0 457.596 4.943 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)O1 ZINC001546044877 1067256672 /nfs/dbraw/zinc/25/66/72/1067256672.db2.gz HZOCGNMEJYCAED-XDHUDOTRSA-N 0 0 478.012 4.504 20 0 JJADRN COC(=O)[C@](C)(NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001459127472 1067257022 /nfs/dbraw/zinc/25/70/22/1067257022.db2.gz SLSRWBVENQBZLQ-GOSISDBHSA-N 0 0 450.240 4.639 20 0 JJADRN CCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001546510698 1067257099 /nfs/dbraw/zinc/25/70/99/1067257099.db2.gz KVGLVROFGZJCOW-RXVVDRJESA-N 0 0 487.645 4.702 20 0 JJADRN Cc1c2cccc(C)c2oc1CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC001452840357 1067257177 /nfs/dbraw/zinc/25/71/77/1067257177.db2.gz DEFBAZYEGKUCLY-QGZVFWFLSA-N 0 0 452.555 4.769 20 0 JJADRN C[C@@H]1CCc2c(sc(NC(=O)CSCC(N)=O)c2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001459129115 1067257556 /nfs/dbraw/zinc/25/75/56/1067257556.db2.gz IKCGUKGYHCQXCR-CQSZACIVSA-N 0 0 458.649 4.558 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CCc2ccccc21 ZINC001452856146 1067257645 /nfs/dbraw/zinc/25/76/45/1067257645.db2.gz BPPDBWSNDQVFSL-MRXNPFEDSA-N 0 0 456.327 4.884 20 0 JJADRN C[C@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CCc2ccccc21 ZINC001452856129 1067257704 /nfs/dbraw/zinc/25/77/04/1067257704.db2.gz BPPDBWSNDQVFSL-INIZCTEOSA-N 0 0 456.327 4.884 20 0 JJADRN CC1(C)CNC(=O)c2c(C(=O)N3CCSC[C@@H]3c3cccc(C(F)(F)F)c3)coc2C1 ZINC001459131688 1067258024 /nfs/dbraw/zinc/25/80/24/1067258024.db2.gz HCBZLQVQVKQXCI-MRXNPFEDSA-N 0 0 452.498 4.541 20 0 JJADRN CCc1cc(=O)n(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1 ZINC001459134482 1067258044 /nfs/dbraw/zinc/25/80/44/1067258044.db2.gz CSHBJPQOCCKPPO-NDEPHWFRSA-N 0 0 455.533 4.860 20 0 JJADRN COC(=O)c1c(NC(=O)COc2cc(C)ccc2Br)sc2c1CC[C@@H](C)C2 ZINC001459137785 1067258516 /nfs/dbraw/zinc/25/85/16/1067258516.db2.gz MAOBGNGLIMDYDK-GFCCVEGCSA-N 0 0 452.370 4.748 20 0 JJADRN CC(C)O[C@H]1CCCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001452868415 1067258589 /nfs/dbraw/zinc/25/85/89/1067258589.db2.gz QWRUUKGHYZLGFF-FQEVSTJZSA-N 0 0 450.579 4.673 20 0 JJADRN CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1OC)c1cc(F)cc(Br)c1 ZINC001459140825 1067258985 /nfs/dbraw/zinc/25/89/85/1067258985.db2.gz MRNPGDNFJYMEOJ-QGZVFWFLSA-N 0 0 454.336 4.814 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)O1 ZINC001546045173 1067259131 /nfs/dbraw/zinc/25/91/31/1067259131.db2.gz LSDHUJDKLBBRLO-YWERLWANSA-N 0 0 456.631 4.996 20 0 JJADRN CCO[C@@H]1CN(C(=O)CSc2cccc3cccc(Cl)c32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452879691 1067259253 /nfs/dbraw/zinc/25/92/53/1067259253.db2.gz XHZIEQGBZGSOIZ-IEBWSBKVSA-N 0 0 479.042 4.974 20 0 JJADRN CC[C@@H](OCCNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001452880879 1067259591 /nfs/dbraw/zinc/25/95/91/1067259591.db2.gz CGFFGKPENBGZOZ-JOCHJYFZSA-N 0 0 454.567 4.714 20 0 JJADRN CC[C@H](OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC001452887075 1067259623 /nfs/dbraw/zinc/25/96/23/1067259623.db2.gz RKYORYXNVIXFJO-QHCPKHFHSA-N 0 0 456.539 4.524 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)O1 ZINC001546045634 1067259684 /nfs/dbraw/zinc/25/96/84/1067259684.db2.gz QWXDQLGNRASMKZ-DHJUGAMNSA-N 0 0 499.553 4.589 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(F)cc(Br)c1 ZINC001459144894 1067260144 /nfs/dbraw/zinc/26/01/44/1067260144.db2.gz BATHZGPZWZITOQ-GUYCJALGSA-N 0 0 453.739 4.862 20 0 JJADRN O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccc(I)cc1F ZINC001459146738 1067260461 /nfs/dbraw/zinc/26/04/61/1067260461.db2.gz JEFBPTUNXXNQPL-UHFFFAOYSA-N 0 0 455.292 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001452895562 1067260613 /nfs/dbraw/zinc/26/06/13/1067260613.db2.gz JAGUCNQTCPNACD-QFIPXVFZSA-N 0 0 450.579 4.817 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452895727 1067260707 /nfs/dbraw/zinc/26/07/07/1067260707.db2.gz CYRBOBRDWWCJCQ-PKOBYXMFSA-N 0 0 452.954 4.559 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)sc1-c1ccc(F)cc1 ZINC001459148910 1067261451 /nfs/dbraw/zinc/26/14/51/1067261451.db2.gz NITLLZFEWXAQCZ-UHFFFAOYSA-N 0 0 456.490 4.695 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001459149849 1067261455 /nfs/dbraw/zinc/26/14/55/1067261455.db2.gz QSFAKLZVHMBVQA-CQSZACIVSA-N 0 0 458.477 4.526 20 0 JJADRN COc1ccc2sc(C(=O)N(C)[C@H](C)c3ccc(N4CCCS4(=O)=O)cc3)c(C)c2c1 ZINC001459149783 1067261484 /nfs/dbraw/zinc/26/14/84/1067261484.db2.gz PQTWHUJXBHBJSK-MRXNPFEDSA-N 0 0 458.605 4.591 20 0 JJADRN CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001452899971 1067261572 /nfs/dbraw/zinc/26/15/72/1067261572.db2.gz DZDFRYGQGJQATO-KIHHCIJBSA-N 0 0 458.643 4.812 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1cc(F)cc(Br)c1 ZINC001459151684 1067261982 /nfs/dbraw/zinc/26/19/82/1067261982.db2.gz XSJMDWBUDJLQPT-WBAXXEDZSA-N 0 0 458.368 4.683 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)C1 ZINC001452905418 1067262492 /nfs/dbraw/zinc/26/24/92/1067262492.db2.gz OLVDZAXMUFDMDP-TUNNFDKTSA-N 0 0 454.567 4.871 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001452905075 1067262604 /nfs/dbraw/zinc/26/26/04/1067262604.db2.gz NQFMPNWOHZJPPI-WSTZPKSXSA-N 0 0 476.614 4.668 20 0 JJADRN C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001459152514 1067262591 /nfs/dbraw/zinc/26/25/91/1067262591.db2.gz ZKMLBSSBAPVMST-JZWVFAODSA-N 0 0 450.570 4.728 20 0 JJADRN CCc1ccc2occ(C(=O)N3CCC[C@H]([C@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)c2c1 ZINC001452903948 1067262650 /nfs/dbraw/zinc/26/26/50/1067262650.db2.gz KYHPVZWARRAAPU-SFYKDHMMSA-N 0 0 456.583 4.920 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC[C@H]([C@@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)CCC2)cc1 ZINC001452906618 1067262978 /nfs/dbraw/zinc/26/29/78/1067262978.db2.gz QLXPSRCCKPUUHT-WWNPGLIZSA-N 0 0 456.627 4.728 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3C)ccc2C)cc1 ZINC001452906399 1067263020 /nfs/dbraw/zinc/26/30/20/1067263020.db2.gz QGBSNYFDEYQWOS-BJKOFHAPSA-N 0 0 464.587 4.789 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC001452906967 1067263075 /nfs/dbraw/zinc/26/30/75/1067263075.db2.gz UUPHVXLWLOOOOT-YPMHNXCESA-N 0 0 471.442 4.803 20 0 JJADRN CC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c(Br)c1 ZINC001459157533 1067263125 /nfs/dbraw/zinc/26/31/25/1067263125.db2.gz QNLGVPOGAOEIOD-QGZVFWFLSA-N 0 0 457.280 4.594 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)o3)C2)C1 ZINC001452907652 1067263178 /nfs/dbraw/zinc/26/31/78/1067263178.db2.gz VLNUTPVPNADKAM-MZKRTTBSSA-N 0 0 454.567 4.871 20 0 JJADRN Cc1cccc(C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)c1NC(=O)c1ccncc1 ZINC001452908540 1067263558 /nfs/dbraw/zinc/26/35/58/1067263558.db2.gz YWHHIEXIMVVBDA-FQEVSTJZSA-N 0 0 453.901 4.649 20 0 JJADRN CC(C)c1csc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC001459159090 1067263632 /nfs/dbraw/zinc/26/36/32/1067263632.db2.gz VJZBCKKINACWKI-OAHLLOKOSA-N 0 0 453.655 4.560 20 0 JJADRN CCOC(=O)C1=C(CS[C@H]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459161815 1067263939 /nfs/dbraw/zinc/26/39/39/1067263939.db2.gz BISLDKJRDRWQJA-UGKGYDQZSA-N 0 0 456.995 4.802 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)CC(C)C ZINC001452919737 1067263947 /nfs/dbraw/zinc/26/39/47/1067263947.db2.gz ASIGRDUFNYBFNB-HNNXBMFYSA-N 0 0 450.377 4.575 20 0 JJADRN CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc(Cl)c1F ZINC001459162268 1067264132 /nfs/dbraw/zinc/26/41/32/1067264132.db2.gz LDYJGEXTPQDMOD-SFHVURJKSA-N 0 0 457.926 4.713 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(Br)cc1Cl)CCS2 ZINC001459161967 1067264140 /nfs/dbraw/zinc/26/41/40/1067264140.db2.gz MXIOJEBLZVLOAF-UHFFFAOYSA-N 0 0 454.773 4.961 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]3C)c2cnn(C)c2n1 ZINC001459166076 1067265021 /nfs/dbraw/zinc/26/50/21/1067265021.db2.gz RETQMCGXGBAGOU-QWHCGFSZSA-N 0 0 456.568 4.568 20 0 JJADRN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]3C)c(C)c1Cl ZINC001459166209 1067265036 /nfs/dbraw/zinc/26/50/36/1067265036.db2.gz RXJISNKAUQMETE-GXFFZTMASA-N 0 0 453.992 4.831 20 0 JJADRN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@H]3C)c(C)c1Cl ZINC001459166207 1067265137 /nfs/dbraw/zinc/26/51/37/1067265137.db2.gz RXJISNKAUQMETE-GWCFXTLKSA-N 0 0 453.992 4.831 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@H]3C)c2cnn(C)c2n1 ZINC001459166080 1067265176 /nfs/dbraw/zinc/26/51/76/1067265176.db2.gz RETQMCGXGBAGOU-STQMWFEESA-N 0 0 456.568 4.568 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)CSc2nncn2-c2ccc(C)c(C)c2)cc1 ZINC001452946469 1067265952 /nfs/dbraw/zinc/26/59/52/1067265952.db2.gz ZFCWHRMTRWHGMI-OAQYLSRUSA-N 0 0 450.608 4.609 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001459178126 1067266054 /nfs/dbraw/zinc/26/60/54/1067266054.db2.gz KOIGMICNVSKPMU-CTNGQTDRSA-N 0 0 459.384 4.660 20 0 JJADRN Cc1c(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cnn1-c1cc(C)ccc1C ZINC001452949509 1067266679 /nfs/dbraw/zinc/26/66/79/1067266679.db2.gz BOYDFOBXUIEDDM-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452946668 1067266690 /nfs/dbraw/zinc/26/66/90/1067266690.db2.gz HBKDPUNGJWTAGJ-FGCOXFRFSA-N 0 0 454.586 4.748 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CSC(=S)N1CCC(C)CC1 ZINC001459180020 1067266977 /nfs/dbraw/zinc/26/69/77/1067266977.db2.gz XIYFKPCLBGYNDS-KRWDZBQOSA-N 0 0 457.503 4.979 20 0 JJADRN CN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001452951932 1067267131 /nfs/dbraw/zinc/26/71/31/1067267131.db2.gz AXXJPUWLAQJQEW-HNNXBMFYSA-N 0 0 455.139 4.505 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC001459184907 1067267838 /nfs/dbraw/zinc/26/78/38/1067267838.db2.gz OBLGXJLRDFLVPU-VWNXMTODSA-N 0 0 456.508 4.985 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001452960741 1067268224 /nfs/dbraw/zinc/26/82/24/1067268224.db2.gz PYLXNAJSXTWPTF-FQEVSTJZSA-N 0 0 457.452 4.817 20 0 JJADRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001452963119 1067268257 /nfs/dbraw/zinc/26/82/57/1067268257.db2.gz UWUFHIIKASJCOP-QXXFBEKPSA-N 0 0 453.546 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)C1 ZINC001452966331 1067268571 /nfs/dbraw/zinc/26/85/71/1067268571.db2.gz PPUGWPHQAYTKNL-FSFJLABTSA-N 0 0 485.625 4.553 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Br)cc1 ZINC001459187897 1067268638 /nfs/dbraw/zinc/26/86/38/1067268638.db2.gz DEAAQOQLMGUZMY-SFHVURJKSA-N 0 0 455.190 4.979 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001459189237 1067269112 /nfs/dbraw/zinc/26/91/12/1067269112.db2.gz MOTHZNMLIROUOS-UHFFFAOYSA-N 0 0 452.363 4.675 20 0 JJADRN COc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c(OCc2ccccc2)c1 ZINC001459191455 1067269131 /nfs/dbraw/zinc/26/91/31/1067269131.db2.gz HXCGMCXTFMULPB-UHFFFAOYSA-N 0 0 454.473 4.701 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)[C@@H]2CCCC[C@H]12 ZINC001452969253 1067269529 /nfs/dbraw/zinc/26/95/29/1067269529.db2.gz TWQQTFIVWGROOP-YPAWHYETSA-N 0 0 455.624 4.668 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C(F)(F)F)nc1C ZINC001459192132 1067269552 /nfs/dbraw/zinc/26/95/52/1067269552.db2.gz JNSOVBJZCOYDJV-MRXNPFEDSA-N 0 0 459.306 4.939 20 0 JJADRN Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cs1 ZINC001459195186 1067269969 /nfs/dbraw/zinc/26/99/69/1067269969.db2.gz XKYACYVXQCPIHF-HNAYVOBHSA-N 0 0 452.407 4.974 20 0 JJADRN O=c1ccc(-c2ccccn2)nn1Cc1cc(Br)c(Cl)c(Br)c1 ZINC001459198346 1067269979 /nfs/dbraw/zinc/26/99/79/1067269979.db2.gz RNUPJMXIJARRRZ-UHFFFAOYSA-N 0 0 455.537 4.532 20 0 JJADRN O=C(Oc1ccc(OC(F)(F)F)c(Br)c1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001459198357 1067270000 /nfs/dbraw/zinc/27/00/00/1067270000.db2.gz PFJWYESRPJSICX-HNNXBMFYSA-N 0 0 453.251 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CC(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC001459196615 1067270086 /nfs/dbraw/zinc/27/00/86/1067270086.db2.gz NYLXWXFLAPPCAX-UHFFFAOYSA-N 0 0 456.612 4.821 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CSc1ccc(C)cc1 ZINC001459202463 1067270539 /nfs/dbraw/zinc/27/05/39/1067270539.db2.gz IOIYHLYQJNPLBE-DRMXPCRNSA-N 0 0 451.592 4.564 20 0 JJADRN CS(=O)(=O)c1cc(OCc2cccc(OCC(F)(F)F)c2Br)ccc1F ZINC001459210755 1067271470 /nfs/dbraw/zinc/27/14/70/1067271470.db2.gz MVCIWHLCFQRTTC-UHFFFAOYSA-N 0 0 457.239 4.512 20 0 JJADRN COC(=O)c1cc(Cl)c(OCc2cccc(C(=O)NCC(C)C)c2)c(Br)c1 ZINC001459208388 1067271499 /nfs/dbraw/zinc/27/14/99/1067271499.db2.gz HQUZWNVQJPSSLI-UHFFFAOYSA-N 0 0 454.748 4.854 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(C)C)ccc21 ZINC001459209991 1067271581 /nfs/dbraw/zinc/27/15/81/1067271581.db2.gz IWAKSAHLDFDELP-UHFFFAOYSA-N 0 0 452.942 4.785 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001452994074 1067271677 /nfs/dbraw/zinc/27/16/77/1067271677.db2.gz CHUXITXMGHEJQJ-HOIFWPIMSA-N 0 0 456.505 4.812 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1(C)C ZINC001452993694 1067271691 /nfs/dbraw/zinc/27/16/91/1067271691.db2.gz JJDQVXIAJQKWHQ-MAUKXSAKSA-N 0 0 456.414 4.581 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)ccc21 ZINC001459211140 1067271993 /nfs/dbraw/zinc/27/19/93/1067271993.db2.gz MEBSQXCLKZAUBC-UHFFFAOYSA-N 0 0 453.539 4.749 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001452995717 1067272174 /nfs/dbraw/zinc/27/21/74/1067272174.db2.gz AFKSPYOMTUXNOJ-DNVCBOLYSA-N 0 0 458.430 4.827 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)NC(=O)OC(C)(C)C ZINC001452995856 1067272198 /nfs/dbraw/zinc/27/21/98/1067272198.db2.gz RTIUJIGXFLXUPX-QGZVFWFLSA-N 0 0 458.430 4.972 20 0 JJADRN Cn1cc(-c2ccc(C(=O)N[C@H](Cc3ccccn3)c3ccc(Br)cc3)o2)cn1 ZINC001459223295 1067272812 /nfs/dbraw/zinc/27/28/12/1067272812.db2.gz HGJDBVOCFXJNOG-LJQANCHMSA-N 0 0 451.324 4.551 20 0 JJADRN COCCOc1cc(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)nc2ccccc21 ZINC001459224378 1067273293 /nfs/dbraw/zinc/27/32/93/1067273293.db2.gz HKNYWLQBQABVKU-UHFFFAOYSA-N 0 0 456.546 4.568 20 0 JJADRN CC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)[C@@H]1C ZINC001459225904 1067273322 /nfs/dbraw/zinc/27/33/22/1067273322.db2.gz MSTDERWGQOCUHK-CQRKEVOWSA-N 0 0 450.579 4.835 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1F ZINC001452999218 1067273687 /nfs/dbraw/zinc/27/36/87/1067273687.db2.gz RXZJAECCMOGKOU-JOCHJYFZSA-N 0 0 454.523 4.612 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC001459227008 1067273724 /nfs/dbraw/zinc/27/37/24/1067273724.db2.gz GPUQHASVIZIVSB-HZPDHXFCSA-N 0 0 457.434 4.531 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001459228596 1067273816 /nfs/dbraw/zinc/27/38/16/1067273816.db2.gz IXAQGHDESYCFNU-DZGCQCFKSA-N 0 0 455.502 4.816 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1F ZINC001452999239 1067273934 /nfs/dbraw/zinc/27/39/34/1067273934.db2.gz RXZJAECCMOGKOU-QFIPXVFZSA-N 0 0 454.523 4.612 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001452999032 1067273959 /nfs/dbraw/zinc/27/39/59/1067273959.db2.gz OEAIXEAHNUVPHF-GOSISDBHSA-N 0 0 453.464 4.705 20 0 JJADRN CC[C@H](CN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 ZINC001459230003 1067274230 /nfs/dbraw/zinc/27/42/30/1067274230.db2.gz SBAPEOALRIGRRW-JOCHJYFZSA-N 0 0 456.652 4.746 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)C1 ZINC001459230857 1067274333 /nfs/dbraw/zinc/27/43/33/1067274333.db2.gz OBEFRFLBLSOHAC-GJZGRUSLSA-N 0 0 453.967 4.674 20 0 JJADRN CO[C@@H](C)CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 ZINC001453002684 1067274397 /nfs/dbraw/zinc/27/43/97/1067274397.db2.gz ACSUMQAINTZFMC-AFMDSPMNSA-N 0 0 458.558 4.726 20 0 JJADRN COc1ccccc1[C@@H](C)N(OC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC001453052261 1067275675 /nfs/dbraw/zinc/27/56/75/1067275675.db2.gz NNTWOMDNMCAAJL-LSDHHAIUSA-N 0 0 455.580 4.614 20 0 JJADRN 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451.640 4.924 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)N(C)c3cccc(Br)n3)ccc21 ZINC001459300603 1067286985 /nfs/dbraw/zinc/28/69/85/1067286985.db2.gz RQKFLQPZQGAMRI-UHFFFAOYSA-N 0 0 451.324 4.527 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048216 1067287046 /nfs/dbraw/zinc/28/70/46/1067287046.db2.gz JKVLWJYEAIIROL-UUOWRZLLSA-N 0 0 460.644 4.642 20 0 JJADRN COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459301588 1067287469 /nfs/dbraw/zinc/28/74/69/1067287469.db2.gz PFBNYCWDUHHOON-WMZHIEFXSA-N 0 0 452.478 4.935 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001459304705 1067288222 /nfs/dbraw/zinc/28/82/22/1067288222.db2.gz KUQBPBUBAZONLR-QWRGUYRKSA-N 0 0 456.255 4.921 20 0 JJADRN C[C@@H](COCC(=O)Nc1nc2ccc(I)cc2s1)c1ccccc1 ZINC001459306012 1067288714 /nfs/dbraw/zinc/28/87/14/1067288714.db2.gz RZOXQEJOPIODGM-LBPRGKRZSA-N 0 0 452.317 4.660 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCSc1ccccc1Br ZINC001459305828 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468.465 4.715 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546048531 1067289251 /nfs/dbraw/zinc/28/92/51/1067289251.db2.gz NLHWCXYXFGMFRU-RGZWJVDOSA-N 0 0 463.022 4.818 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC001459307186 1067289738 /nfs/dbraw/zinc/28/97/38/1067289738.db2.gz RCKCPDVFOOHSLX-QRWLVFNGSA-N 0 0 451.792 4.695 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001453221435 1067289718 /nfs/dbraw/zinc/28/97/18/1067289718.db2.gz GZGXPZSETGQJIJ-INIZCTEOSA-N 0 0 459.612 4.786 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(C)=C(C)C2)O1 ZINC001546048575 1067289739 /nfs/dbraw/zinc/28/97/39/1067289739.db2.gz NXLZWMKVFFGUOL-FNZWTVRRSA-N 0 0 470.614 4.865 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546048664 1067290406 /nfs/dbraw/zinc/29/04/06/1067290406.db2.gz ORMTYWFAGJNGOY-HXOBKFHXSA-N 0 0 480.556 4.554 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546048786 1067290838 /nfs/dbraw/zinc/29/08/38/1067290838.db2.gz PWRMFKQJFCBXEE-FLIAMFETSA-N 0 0 482.547 4.945 20 0 JJADRN CN(CCOc1ccccc1C(=O)N1CCc2ccccc2C(C)(C)C1)C(=O)OC(C)(C)C ZINC001453230781 1067290883 /nfs/dbraw/zinc/29/08/83/1067290883.db2.gz XSIUAPZVXXGIPQ-UHFFFAOYSA-N 0 0 452.595 4.908 20 0 JJADRN CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC(Cc2cccc(F)c2)CC1 ZINC001459311299 1067291149 /nfs/dbraw/zinc/29/11/49/1067291149.db2.gz CJBOQTMLNGSWAO-SFHVURJKSA-N 0 0 455.393 4.912 20 0 JJADRN COCCC1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC001459313619 1067291574 /nfs/dbraw/zinc/29/15/74/1067291574.db2.gz JAVJUVIYWPUJFX-SFHVURJKSA-N 0 0 455.426 4.949 20 0 JJADRN O=C(c1cc(F)ccc1F)C1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001459314324 1067291763 /nfs/dbraw/zinc/29/17/63/1067291763.db2.gz QNAVJKGDWLXHTJ-FQEVSTJZSA-N 0 0 452.423 4.684 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546048974 1067292022 /nfs/dbraw/zinc/29/20/22/1067292022.db2.gz SEMUDUFTMMCKBN-SQJMNOBHSA-N 0 0 474.049 4.641 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001453267639 1067292339 /nfs/dbraw/zinc/29/23/39/1067292339.db2.gz VSKYYCYXNDUTRZ-UHFFFAOYSA-N 0 0 454.493 4.625 20 0 JJADRN Cc1csc(CC2(O)CCN(C(=O)c3cc4ccc(Br)cc4s3)CC2)n1 ZINC001453266464 1067292466 /nfs/dbraw/zinc/29/24/66/1067292466.db2.gz PYNGBIQCKZDHDP-UHFFFAOYSA-N 0 0 451.411 4.639 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)O1 ZINC001546049000 1067292578 /nfs/dbraw/zinc/29/25/78/1067292578.db2.gz SKCAKLDIQHIDDN-DVBNTOJCSA-N 0 0 467.658 4.553 20 0 JJADRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC001459316876 1067292635 /nfs/dbraw/zinc/29/26/35/1067292635.db2.gz QKZMNGCFBYBKJE-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN Cc1cccc2cc(C(=O)N(C)[C@@H](C)c3cccc(N4CCCS4(=O)=O)c3)c(Cl)nc12 ZINC001459317612 1067293074 /nfs/dbraw/zinc/29/30/74/1067293074.db2.gz XLITYFHRAZZMAH-INIZCTEOSA-N 0 0 457.983 4.570 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1ccc2cc(OC)c(OC)cc2c1 ZINC001459317828 1067293194 /nfs/dbraw/zinc/29/31/94/1067293194.db2.gz AFKZDBGEYXTFCJ-XMMPIXPASA-N 0 0 457.526 4.914 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001459320151 1067293958 /nfs/dbraw/zinc/29/39/58/1067293958.db2.gz FXGOUUIXQUOPFB-DKSSEZFCSA-N 0 0 453.505 4.793 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001459320165 1067294010 /nfs/dbraw/zinc/29/40/10/1067294010.db2.gz FXGOUUIXQUOPFB-LSBZLQRGSA-N 0 0 453.505 4.793 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001459324557 1067294096 /nfs/dbraw/zinc/29/40/96/1067294096.db2.gz IKXIWUMAJCVHRK-KOLCDFICSA-N 0 0 452.296 4.683 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001459320159 1067294116 /nfs/dbraw/zinc/29/41/16/1067294116.db2.gz FXGOUUIXQUOPFB-LJHODMEESA-N 0 0 453.505 4.793 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)Cc2ccccc21 ZINC001453290813 1067294310 /nfs/dbraw/zinc/29/43/10/1067294310.db2.gz QTBFVNBYEWJQBG-KRWDZBQOSA-N 0 0 454.876 4.764 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)Cc2ccccc21 ZINC001453290816 1067294413 /nfs/dbraw/zinc/29/44/13/1067294413.db2.gz QTBFVNBYEWJQBG-QGZVFWFLSA-N 0 0 454.876 4.764 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001459322722 1067294403 /nfs/dbraw/zinc/29/44/03/1067294403.db2.gz YAHMVZLHQKXNTE-QFIPXVFZSA-N 0 0 457.615 4.890 20 0 JJADRN Cc1cc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)ccc1-c1ccccc1 ZINC001459322407 1067294569 /nfs/dbraw/zinc/29/45/69/1067294569.db2.gz APWFKDTYAWXZIL-WXVAWEFUSA-N 0 0 450.579 4.552 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001459321809 1067294592 /nfs/dbraw/zinc/29/45/92/1067294592.db2.gz IIHUDUZRQAGWHD-UHFFFAOYSA-N 0 0 455.946 4.674 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)[C@H](CO)Cc3ccccc3)cc12 ZINC001453292082 1067294903 /nfs/dbraw/zinc/29/49/03/1067294903.db2.gz PURAOMNFQGAUPH-IBGZPJMESA-N 0 0 453.995 4.784 20 0 JJADRN O=C(c1cnc(-c2ccccc2Br)s1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453292274 1067294910 /nfs/dbraw/zinc/29/49/10/1067294910.db2.gz WCSDNQLXTFCEFR-DLBZAZTESA-N 0 0 457.393 4.811 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546049223 1067294966 /nfs/dbraw/zinc/29/49/66/1067294966.db2.gz XHRVEWXFKSNAGE-FKEXNYPISA-N 0 0 468.465 4.714 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001453294148 1067295007 /nfs/dbraw/zinc/29/50/07/1067295007.db2.gz YCUYNFGUNWCUGM-UXHICEINSA-N 0 0 450.362 4.885 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)N(CC(C)C)C(C)(C)c1ccc(Br)cc1 ZINC001459324530 1067294991 /nfs/dbraw/zinc/29/49/91/1067294991.db2.gz GXRHJORQLVRADB-GOSISDBHSA-N 0 0 455.462 4.870 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001459324561 1067295034 /nfs/dbraw/zinc/29/50/34/1067295034.db2.gz IKXIWUMAJCVHRK-MWLCHTKSSA-N 0 0 452.296 4.683 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459331317 1067295465 /nfs/dbraw/zinc/29/54/65/1067295465.db2.gz LEIQUZRCCFRKEG-FQEVSTJZSA-N 0 0 453.283 4.586 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSCC2)O1 ZINC001546049380 1067295720 /nfs/dbraw/zinc/29/57/20/1067295720.db2.gz YTNVIGVLBNQJDF-MGPUTAFESA-N 0 0 469.424 4.748 20 0 JJADRN CCOC(=O)C[C@](C)(NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C(C)C ZINC001459328642 1067295989 /nfs/dbraw/zinc/29/59/89/1067295989.db2.gz MCTAXSSZQLNCHJ-FQEVSTJZSA-N 0 0 459.896 4.701 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546049424 1067296295 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4.631 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN(C)CCCOc2ccccc2C)sc2c1CC[C@H](C)C2 ZINC001459331896 1067296880 /nfs/dbraw/zinc/29/68/80/1067296880.db2.gz HWJDXQYPKKSIPZ-KRWDZBQOSA-N 0 0 458.624 4.697 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC001459332440 1067296952 /nfs/dbraw/zinc/29/69/52/1067296952.db2.gz URAYZMUBQQPAEC-UHFFFAOYSA-N 0 0 457.412 4.962 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@H](OC)C2)O1 ZINC001546049431 1067296928 /nfs/dbraw/zinc/29/69/28/1067296928.db2.gz ZNNITYIUXSGUPU-HYFFOGBASA-N 0 0 481.410 4.810 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)CC2 ZINC001459333632 1067297396 /nfs/dbraw/zinc/29/73/96/1067297396.db2.gz SCNZYKWNEFDUQI-KRWDZBQOSA-N 0 0 454.361 4.532 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001459337875 1067297821 /nfs/dbraw/zinc/29/78/21/1067297821.db2.gz OUPZVYJGNVYFFO-KDURUIRLSA-N 0 0 458.649 4.804 20 0 JJADRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001459336841 1067297876 /nfs/dbraw/zinc/29/78/76/1067297876.db2.gz PQNJZHGGILVPLI-LSDHHAIUSA-N 0 0 456.151 4.922 20 0 JJADRN CCOc1cc(/C=C/C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1O ZINC001453328862 1067298167 /nfs/dbraw/zinc/29/81/67/1067298167.db2.gz DLLNQBSACSRAGM-FKVRIVCVSA-N 0 0 458.599 4.690 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC001459338914 1067298265 /nfs/dbraw/zinc/29/82/65/1067298265.db2.gz PNQCUDMKCIYHGW-XMMPIXPASA-N 0 0 457.526 4.930 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001453333415 1067298480 /nfs/dbraw/zinc/29/84/80/1067298480.db2.gz KGIVWWBXELRUSF-SJLPKXTDSA-N 0 0 451.633 4.740 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N(C)Cc1csc(Br)c1 ZINC001459345767 1067298866 /nfs/dbraw/zinc/29/88/66/1067298866.db2.gz CRNYHUWSJGYUSX-LLVKDONJSA-N 0 0 459.431 4.770 20 0 JJADRN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cnc(C(F)(F)F)nc1 ZINC001453339235 1067299083 /nfs/dbraw/zinc/29/90/83/1067299083.db2.gz UUEZZVAHYZULGI-UHFFFAOYSA-N 0 0 456.424 4.762 20 0 JJADRN Cn1cc(-c2ccc(C(=O)N3CCC[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)cn1 ZINC001453337612 1067299118 /nfs/dbraw/zinc/29/91/18/1067299118.db2.gz QYEJNBUFUQBZEL-QFIPXVFZSA-N 0 0 452.599 4.586 20 0 JJADRN COc1cnc2ccccc2c1C(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001453337478 1067299142 /nfs/dbraw/zinc/29/91/42/1067299142.db2.gz QEPXBXHUCKROQB-LJQANCHMSA-N 0 0 453.583 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)CCCOCCc3ccccc3)C2)CC1 ZINC001453339743 1067299167 /nfs/dbraw/zinc/29/91/67/1067299167.db2.gz OSPXPQCBORKCNA-DEOSSOPVSA-N 0 0 458.643 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3ncoc3CCC(F)(F)F)C2)CC1 ZINC001453341229 1067299349 /nfs/dbraw/zinc/29/93/49/1067299349.db2.gz RNEYGCYKXNXKCE-MRXNPFEDSA-N 0 0 459.509 4.669 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001459348286 1067299983 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CCN(C)[C@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395330 1067303569 /nfs/dbraw/zinc/30/35/69/1067303569.db2.gz GVERJWIKJPQOJY-PKTZIBPZSA-N 0 0 453.583 4.627 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)CC1 ZINC001459364330 1067303844 /nfs/dbraw/zinc/30/38/44/1067303844.db2.gz JZUPFBIJPXJXED-HNNXBMFYSA-N 0 0 456.974 4.661 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccncc1 ZINC001459364360 1067303863 /nfs/dbraw/zinc/30/38/63/1067303863.db2.gz KFIQVFLRXRVDNO-LADGPHEKSA-N 0 0 456.514 4.788 20 0 JJADRN COc1ccc(CCC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC001459366069 1067303945 /nfs/dbraw/zinc/30/39/45/1067303945.db2.gz DKGXKCGZTFOFDL-JOCHJYFZSA-N 0 0 455.448 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)C3(c4cccnc4)CCCC3)cc2)C1 ZINC001453400389 1067304374 /nfs/dbraw/zinc/30/43/74/1067304374.db2.gz NDBKUPYQTTVTIT-QFIPXVFZSA-N 0 0 451.567 4.841 20 0 JJADRN CC1(C)CC(=O)CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001453401510 1067304577 /nfs/dbraw/zinc/30/45/77/1067304577.db2.gz JSUHNEQKZCUJER-UHFFFAOYSA-N 0 0 456.468 4.784 20 0 JJADRN C[C@H](C(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC001459367239 1067304527 /nfs/dbraw/zinc/30/45/27/1067304527.db2.gz OESVEHFEUSTSJD-OAHLLOKOSA-N 0 0 455.536 4.541 20 0 JJADRN C[C@@H](C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)c1c(Cl)cccc1Cl ZINC001453412786 1067304882 /nfs/dbraw/zinc/30/48/82/1067304882.db2.gz YLQZNXMNWFGHIZ-MPBGBICISA-N 0 0 457.195 4.896 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C1 ZINC001546108397 1067305070 /nfs/dbraw/zinc/30/50/70/1067305070.db2.gz ATZSQWYQXVUMGP-LJQANCHMSA-N 0 0 481.707 4.746 20 0 JJADRN CCCN(C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001459370170 1067305319 /nfs/dbraw/zinc/30/53/19/1067305319.db2.gz WWOKHZYUKVXYAP-HNNXBMFYSA-N 0 0 455.509 4.814 20 0 JJADRN Nc1c(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cnn1-c1ccccc1 ZINC001453420737 1067305377 /nfs/dbraw/zinc/30/53/77/1067305377.db2.gz WIDZIFXJSAPIGT-UHFFFAOYSA-N 0 0 459.197 4.507 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001459372133 1067305784 /nfs/dbraw/zinc/30/57/84/1067305784.db2.gz GCYGPJYSQCGXTE-UHFFFAOYSA-N 0 0 452.454 4.685 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1)[C@H](C)C2 ZINC001453431049 1067305809 /nfs/dbraw/zinc/30/58/09/1067305809.db2.gz INQNTIOYJVGSSV-NSYGIPOTSA-N 0 0 452.551 4.527 20 0 JJADRN COCCN(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373354 1067306147 /nfs/dbraw/zinc/30/61/47/1067306147.db2.gz BEOAVSMRQLMKAD-HOTGVXAUSA-N 0 0 458.471 4.740 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453436438 1067306198 /nfs/dbraw/zinc/30/61/98/1067306198.db2.gz HCEACBAWYLEZDA-FQEVSTJZSA-N 0 0 453.564 4.512 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCOc2ccccc2OC)O1 ZINC001546051075 1067306790 /nfs/dbraw/zinc/30/67/90/1067306790.db2.gz GKTVCAAKMABOKS-RXFWQSSRSA-N 0 0 465.598 4.520 20 0 JJADRN Cc1ccc(SC2(C(=O)N3CCC[C@@H](S(=O)(=O)Nc4ccccc4)C3)CCCC2)cc1 ZINC001453447946 1067306884 /nfs/dbraw/zinc/30/68/84/1067306884.db2.gz WXWTYQLXIDTHGQ-JOCHJYFZSA-N 0 0 458.649 4.833 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)O1 ZINC001546051556 1067307344 /nfs/dbraw/zinc/30/73/44/1067307344.db2.gz LWBWXHNYUBKDIM-CCLHPLFOSA-N 0 0 498.672 4.880 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)cc1 ZINC001459378733 1067307680 /nfs/dbraw/zinc/30/76/80/1067307680.db2.gz JPPYGGFXJYBGKC-UHFFFAOYSA-N 0 0 456.550 4.751 20 0 JJADRN Cc1c(C(=O)NCCCNC(=O)/C=C/c2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC001459378357 1067307856 /nfs/dbraw/zinc/30/78/56/1067307856.db2.gz UMJFKTXDFGZXPT-ISLYRVAYSA-N 0 0 451.570 4.948 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)cc1 ZINC001453474790 1067307828 /nfs/dbraw/zinc/30/78/28/1067307828.db2.gz PKLLFXRIOVFESR-QFIPXVFZSA-N 0 0 458.986 4.627 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)[nH]n2)c1C ZINC001453480016 1067308119 /nfs/dbraw/zinc/30/81/19/1067308119.db2.gz RWYOZAGCTHEZAQ-NYHFZMIOSA-N 0 0 453.562 4.992 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2ccc(C(F)(F)F)cn2)c(I)c1 ZINC001459380686 1067308617 /nfs/dbraw/zinc/30/86/17/1067308617.db2.gz NANPUQMSXWTSQV-SECBINFHSA-N 0 0 451.182 4.632 20 0 JJADRN Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1NC(=O)N(C)C ZINC001459382216 1067309067 /nfs/dbraw/zinc/30/90/67/1067309067.db2.gz RJFGZWHBGSYVSI-UHFFFAOYSA-N 0 0 455.921 4.808 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001459382139 1067309156 /nfs/dbraw/zinc/30/91/56/1067309156.db2.gz ZSNCTDJLFNVMSY-KOSHJBKYSA-N 0 0 459.993 4.684 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001459382146 1067309184 /nfs/dbraw/zinc/30/91/84/1067309184.db2.gz ZSNCTDJLFNVMSY-MHECFPHRSA-N 0 0 459.993 4.684 20 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COc1cccn2ncc(C(=O)N(Cc3ccccc3Br)c3cncc(C)c3)c12 ZINC001459386267 1067310435 /nfs/dbraw/zinc/31/04/35/1067310435.db2.gz LUOREXFIWNMMNP-UHFFFAOYSA-N 0 0 451.324 4.656 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(Br)cc1 ZINC001453529137 1067310788 /nfs/dbraw/zinc/31/07/88/1067310788.db2.gz XXNCTHWSYNHQDH-MJJCUKRNSA-N 0 0 451.405 4.741 20 0 JJADRN COCc1csc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 ZINC001453529129 1067310938 /nfs/dbraw/zinc/31/09/38/1067310938.db2.gz XXDAUTRVFPNYPR-UHFFFAOYSA-N 0 0 459.365 4.839 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)O1 ZINC001546052357 1067310979 /nfs/dbraw/zinc/31/09/79/1067310979.db2.gz WDIHBOGHGLRCDN-LVXARBLLSA-N 0 0 453.631 4.975 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)O1 ZINC001546052403 1067311149 /nfs/dbraw/zinc/31/11/49/1067311149.db2.gz WNGVMSGOCZEZHJ-YCRNBWNJSA-N 0 0 465.564 4.674 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(Br)c2)C1 ZINC001546108504 1067311195 /nfs/dbraw/zinc/31/11/95/1067311195.db2.gz DGOSQUDPINTFFK-QGZVFWFLSA-N 0 0 463.420 4.618 20 0 JJADRN O=C(CCN1CCO[C@@H](c2ccccc2Br)C1)Nc1ccccc1C(F)(F)F ZINC001459390278 1067311207 /nfs/dbraw/zinc/31/12/07/1067311207.db2.gz FWAKBUWJTJNJLB-GOSISDBHSA-N 0 0 457.290 4.870 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1C(F)(F)F ZINC001453535826 1067311683 /nfs/dbraw/zinc/31/16/83/1067311683.db2.gz BNGHWEZNKOHJNK-ZFWWWQNUSA-N 0 0 459.896 4.987 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001453541534 1067312574 /nfs/dbraw/zinc/31/25/74/1067312574.db2.gz RSCOSMZSWVJXAO-BBRMVZONSA-N 0 0 459.324 4.630 20 0 JJADRN O=C(CN1C(=O)COc2ccccc21)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001459399616 1067312998 /nfs/dbraw/zinc/31/29/98/1067312998.db2.gz DBRXEWXZKCMWFU-UHFFFAOYSA-N 0 0 457.313 4.828 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453547605 1067313135 /nfs/dbraw/zinc/31/31/35/1067313135.db2.gz YHSGSYGRVDWCTG-OALUTQOASA-N 0 0 458.521 4.777 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Br)cc2)O1 ZINC001546052623 1067313162 /nfs/dbraw/zinc/31/31/62/1067313162.db2.gz ZORXRASTLZZVAM-XXBNENTESA-N 0 0 485.430 4.524 20 0 JJADRN COc1ccc(/C=C(\C(=O)NCc2cc(Br)cnc2OC)c2cccs2)cc1 ZINC001453546947 1067313382 /nfs/dbraw/zinc/31/33/82/1067313382.db2.gz BJFNVIZHEFXVFS-ZDLGFXPLSA-N 0 0 459.365 4.780 20 0 JJADRN COc1cccc(OC)c1OC1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC001459396870 1067313449 /nfs/dbraw/zinc/31/34/49/1067313449.db2.gz XFUVSOYOFWIMCN-UHFFFAOYSA-N 0 0 452.523 4.500 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453550588 1067313623 /nfs/dbraw/zinc/31/36/23/1067313623.db2.gz ONOVDGVJSPABBE-UHFFFAOYSA-N 0 0 453.421 4.973 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC[C@H]1C(F)(F)F ZINC001453549423 1067313810 /nfs/dbraw/zinc/31/38/10/1067313810.db2.gz SXEOFWVWTHOQCV-DLBZAZTESA-N 0 0 451.489 4.847 20 0 JJADRN O=C(Cn1nnnc1-c1ccccc1)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001459401255 1067313701 /nfs/dbraw/zinc/31/37/01/1067313701.db2.gz GYOBJRWVJIBUCB-UHFFFAOYSA-N 0 0 454.317 4.756 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCCCO2)C1 ZINC001546108559 1067313947 /nfs/dbraw/zinc/31/39/47/1067313947.db2.gz FMPUQGGJBWNBRN-NHCUHLMSSA-N 0 0 491.677 4.562 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC001453551921 1067313949 /nfs/dbraw/zinc/31/39/49/1067313949.db2.gz BSRQMRAIEQILBX-UHFFFAOYSA-N 0 0 451.405 4.534 20 0 JJADRN CC(C)Nc1cc(Br)ccc1NC(=O)c1nc(Br)c2ccccn21 ZINC001453561919 1067314378 /nfs/dbraw/zinc/31/43/78/1067314378.db2.gz INVUZXKDEMTQRL-UHFFFAOYSA-N 0 0 452.150 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC001453556804 1067314575 /nfs/dbraw/zinc/31/45/75/1067314575.db2.gz VELGXQUCEYCGRP-UHFFFAOYSA-N 0 0 451.405 4.535 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[C@@H](C)C1 ZINC001459409565 1067315084 /nfs/dbraw/zinc/31/50/84/1067315084.db2.gz RBUQJJLXOGOHCL-ZMSDIMECSA-N 0 0 457.621 4.712 20 0 JJADRN CCO[C@@H](C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@@H]1CCOC1 ZINC001459408090 1067315218 /nfs/dbraw/zinc/31/52/18/1067315218.db2.gz ZQEWFKPIXGRYLT-YLJYHZDGSA-N 0 0 452.414 4.789 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(OC)c1 ZINC001459408744 1067315349 /nfs/dbraw/zinc/31/53/49/1067315349.db2.gz NVXMFZDQPHWXCS-UHFFFAOYSA-N 0 0 456.970 4.927 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453574202 1067315277 /nfs/dbraw/zinc/31/52/77/1067315277.db2.gz DJBSGKWDXDYRFP-DZFGPLHGSA-N 0 0 458.986 4.935 20 0 JJADRN COc1cc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c(C)c(OC)c1 ZINC001459410313 1067315680 /nfs/dbraw/zinc/31/56/80/1067315680.db2.gz AITQUBDPLHOSQV-IBGZPJMESA-N 0 0 454.445 4.588 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC(n4c(C)ccc4C)CC3)n2)c1 ZINC001459411478 1067315963 /nfs/dbraw/zinc/31/59/63/1067315963.db2.gz IPTAIGBQJGVKJU-UHFFFAOYSA-N 0 0 454.596 4.521 20 0 JJADRN CCOC(=O)c1csc(CN2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC001459411624 1067315991 /nfs/dbraw/zinc/31/59/91/1067315991.db2.gz ACBRDOKKISJZKL-QHCPKHFHSA-N 0 0 456.011 4.880 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453580985 1067316012 /nfs/dbraw/zinc/31/60/12/1067316012.db2.gz UUMDNMDUJHRKQA-RBBKRZOGSA-N 0 0 462.594 4.508 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C)CCC(=O)N1c1ccc(C)cc1 ZINC001459411113 1067316221 /nfs/dbraw/zinc/31/62/21/1067316221.db2.gz XHTZDMYYPNMSIO-YDOBTQPPSA-N 0 0 450.579 4.514 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 ZINC001453585529 1067316707 /nfs/dbraw/zinc/31/67/07/1067316707.db2.gz DMOGLZGGYMIYPO-MOPGFXCFSA-N 0 0 455.605 4.771 20 0 JJADRN C[C@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001453594515 1067317058 /nfs/dbraw/zinc/31/70/58/1067317058.db2.gz IBDIXTLTWQNDGY-QFBILLFUSA-N 0 0 451.654 4.760 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H](OCCC(C)C)CC3)cc2)cc1 ZINC001453602158 1067317447 /nfs/dbraw/zinc/31/74/47/1067317447.db2.gz OJIOXJMBFOTKPK-AFARHQOCSA-N 0 0 458.624 4.900 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C3)c2C(F)(F)F)cc1 ZINC001453601913 1067317565 /nfs/dbraw/zinc/31/75/65/1067317565.db2.gz WGNBOCWHJXOWEC-WBVHZDCISA-N 0 0 451.489 4.639 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CCCCC2)O1 ZINC001546053377 1067317958 /nfs/dbraw/zinc/31/79/58/1067317958.db2.gz AAKWHBBFUJRRFG-YZIHRLCOSA-N 0 0 491.677 4.703 20 0 JJADRN COc1cccc(CN(C)C(=O)c2ccc(P(C)(C)=O)cc2)c1OCc1ccccc1F ZINC001459414441 1067318055 /nfs/dbraw/zinc/31/80/55/1067318055.db2.gz JZUMSQNCOLABDU-UHFFFAOYSA-N 0 0 455.466 4.934 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@H](C)C1 ZINC001459415126 1067318373 /nfs/dbraw/zinc/31/83/73/1067318373.db2.gz SENUENYMTNWASC-QGZVFWFLSA-N 0 0 459.512 4.942 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001453607001 1067318549 /nfs/dbraw/zinc/31/85/49/1067318549.db2.gz NZBXBJLCIKOPJY-HXUWFJFHSA-N 0 0 452.561 4.956 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)cc1 ZINC001459417357 1067318835 /nfs/dbraw/zinc/31/88/35/1067318835.db2.gz YDHGDEVKQIEHEC-JOCHJYFZSA-N 0 0 450.608 4.896 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3ccccc3)n2)c(Br)c1 ZINC001459416965 1067319049 /nfs/dbraw/zinc/31/90/49/1067319049.db2.gz IIIAYAVJENRUGC-UHFFFAOYSA-N 0 0 451.324 4.774 20 0 JJADRN CN(CCc1ccccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)C(=O)OC(C)(C)C ZINC001453616695 1067319598 /nfs/dbraw/zinc/31/95/98/1067319598.db2.gz LGHOABUZCSJYFY-UHFFFAOYSA-N 0 0 455.555 4.699 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)c1)c1cccc(Br)c1 ZINC001453634641 1067319891 /nfs/dbraw/zinc/31/98/91/1067319891.db2.gz GPCDLXIFWRPVPM-OAQYLSRUSA-N 0 0 451.320 4.824 20 0 JJADRN CCCOc1cncc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC001453636769 1067320002 /nfs/dbraw/zinc/32/00/02/1067320002.db2.gz WEMXKKMXDCASRV-UHFFFAOYSA-N 0 0 459.955 4.885 20 0 JJADRN Cc1sc(NC(=O)CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1C ZINC001459419853 1067319993 /nfs/dbraw/zinc/31/99/93/1067319993.db2.gz SMGOLAGMBWMANX-UHFFFAOYSA-N 0 0 457.621 4.545 20 0 JJADRN CCO[C@@]1(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001453670647 1067320806 /nfs/dbraw/zinc/32/08/06/1067320806.db2.gz JJZKYOCLXCNUNJ-DXBVXKBHSA-N 0 0 450.579 4.576 20 0 JJADRN Cc1c(C(=O)NCCOc2ccc(I)cc2)sc2cccc(F)c12 ZINC001459422245 1067320781 /nfs/dbraw/zinc/32/07/81/1067320781.db2.gz BGNKFGPVLQHYQD-UHFFFAOYSA-N 0 0 455.292 4.762 20 0 JJADRN COCCCCN(C(=O)[C@H](C)Oc1ccc(SC)cc1)c1ccc(Br)cn1 ZINC001459423374 1067321276 /nfs/dbraw/zinc/32/12/76/1067321276.db2.gz AFEPXBWXVMVGSF-HNNXBMFYSA-N 0 0 453.402 4.793 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)nc21 ZINC001459423517 1067321632 /nfs/dbraw/zinc/32/16/32/1067321632.db2.gz OGFVFTDPFZITNH-CYBMUJFWSA-N 0 0 452.418 4.844 20 0 JJADRN CC(C)Cc1cccc([C@H](C)C(=O)NCCOc2ccc(I)cc2)c1 ZINC001459424898 1067322105 /nfs/dbraw/zinc/32/21/05/1067322105.db2.gz MUVOIXSPEKNONZ-INIZCTEOSA-N 0 0 451.348 4.788 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 ZINC001459424291 1067322166 /nfs/dbraw/zinc/32/21/66/1067322166.db2.gz FPAZSYNFXUCJFM-AREMUKBSSA-N 0 0 454.567 4.521 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(Cl)c(F)c3N3CCOCC3)c2)c1C ZINC001459427441 1067323249 /nfs/dbraw/zinc/32/32/49/1067323249.db2.gz ZWBVWZDCMYROKF-UHFFFAOYSA-N 0 0 456.949 4.933 20 0 JJADRN COc1cc(NC(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459429116 1067323471 /nfs/dbraw/zinc/32/34/71/1067323471.db2.gz RQUKZOZRYUUOTA-LJQANCHMSA-N 0 0 459.757 4.676 20 0 JJADRN COc1cc(NC(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459429110 1067323590 /nfs/dbraw/zinc/32/35/90/1067323590.db2.gz RQUKZOZRYUUOTA-IBGZPJMESA-N 0 0 459.757 4.676 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCCC2)O1 ZINC001546053993 1067323616 /nfs/dbraw/zinc/32/36/16/1067323616.db2.gz HVNNPUQVZZCBMH-YZIHRLCOSA-N 0 0 491.677 4.705 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001459429502 1067323812 /nfs/dbraw/zinc/32/38/12/1067323812.db2.gz ZAZVYXAXUGWEBN-NRFANRHFSA-N 0 0 456.505 4.671 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459429542 1067323832 /nfs/dbraw/zinc/32/38/32/1067323832.db2.gz ZTVOWQSJQWMPAV-DWXRJYCRSA-N 0 0 453.583 4.608 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459429544 1067323990 /nfs/dbraw/zinc/32/39/90/1067323990.db2.gz ZTVOWQSJQWMPAV-HFJWLAOPSA-N 0 0 453.583 4.608 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2scnc2C)O1 ZINC001546054036 1067324026 /nfs/dbraw/zinc/32/40/26/1067324026.db2.gz IWPKUCLVODJYFR-NTKDMRAZSA-N 0 0 455.628 4.627 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1 ZINC001459434024 1067324410 /nfs/dbraw/zinc/32/44/10/1067324410.db2.gz DHUPOPLKOBJORG-UHFFFAOYSA-N 0 0 451.878 4.744 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC[C@H]1F ZINC001453718553 1067324321 /nfs/dbraw/zinc/32/43/21/1067324321.db2.gz JDUVXSGTCFIIAQ-IMBTUZDBSA-N 0 0 459.587 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)cs2)CC1 ZINC001453712600 1067324501 /nfs/dbraw/zinc/32/45/01/1067324501.db2.gz MYGUOUBBHWAINS-LJQANCHMSA-N 0 0 457.596 4.551 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N[C@H](CO)c3cccc(Cl)c3Cl)c2C(F)(F)F)c1 ZINC001453722770 1067324713 /nfs/dbraw/zinc/32/47/13/1067324713.db2.gz ZADBTXOXXMQROC-MRXNPFEDSA-N 0 0 458.267 4.970 20 0 JJADRN C[C@@H]1OCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)[C@@H]1C(F)(F)F ZINC001453733821 1067324773 /nfs/dbraw/zinc/32/47/73/1067324773.db2.gz GBSKDBBLWZRHPA-SJCJKPOMSA-N 0 0 453.511 4.629 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001453735960 1067325186 /nfs/dbraw/zinc/32/51/86/1067325186.db2.gz IGQPZDXFAOYXGL-IBGZPJMESA-N 0 0 453.505 4.915 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOc4ccccc4[C@H]3C)ccc2C)cc1 ZINC001453736347 1067325194 /nfs/dbraw/zinc/32/51/94/1067325194.db2.gz JSPHYUQILCXUJO-LJQANCHMSA-N 0 0 450.560 4.700 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC001546054426 1067325475 /nfs/dbraw/zinc/32/54/75/1067325475.db2.gz NVGJZCNNBBYNNM-CUNXSJBXSA-N 0 0 467.658 4.743 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc4[nH]c(=O)cc(C)c4c3)cc2)c1 ZINC001453738924 1067325546 /nfs/dbraw/zinc/32/55/46/1067325546.db2.gz SVXFGVVWBSPRAQ-UHFFFAOYSA-N 0 0 457.486 4.527 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Br)cc2)cc1 ZINC001453742289 1067325982 /nfs/dbraw/zinc/32/59/82/1067325982.db2.gz JKZKBFZBZADGEO-OAQYLSRUSA-N 0 0 455.400 4.938 20 0 JJADRN CON(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001453740687 1067326040 /nfs/dbraw/zinc/32/60/40/1067326040.db2.gz SXHQZHVWBZQANN-CQSZACIVSA-N 0 0 458.502 4.547 20 0 JJADRN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CC[NH2+][C@@H](C(C)C)C3)cc12 ZINC001453742095 1067326092 /nfs/dbraw/zinc/32/60/92/1067326092.db2.gz ZZXVCKHBZFXTFL-GOSISDBHSA-N 0 0 451.423 4.831 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@H](O)COc1cccc2ccccc21 ZINC001459444711 1067325919 /nfs/dbraw/zinc/32/59/19/1067325919.db2.gz CXXJOAWASRSYGW-IBGZPJMESA-N 0 0 453.489 4.818 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)c1ccc(Br)cc1 ZINC001453745582 1067326795 /nfs/dbraw/zinc/32/67/95/1067326795.db2.gz UVFYMWRNMIHXCS-SFHVURJKSA-N 0 0 457.759 4.847 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1CCn2nccc2C1 ZINC001453763232 1067327420 /nfs/dbraw/zinc/32/74/20/1067327420.db2.gz IZEINQQTTBTPFG-SYYKKAFVSA-N 0 0 455.624 4.635 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546054634 1067327697 /nfs/dbraw/zinc/32/76/97/1067327697.db2.gz PXISLCMCIDAEEA-NEKDWFFYSA-N 0 0 490.652 4.612 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001546108986 1067327711 /nfs/dbraw/zinc/32/77/11/1067327711.db2.gz QHKOBVXKOGAUIE-MBSDFSHPSA-N 0 0 466.548 4.639 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cn2)C1 ZINC001453765822 1067327985 /nfs/dbraw/zinc/32/79/85/1067327985.db2.gz UNSXJUFBBCWVKZ-OAHLLOKOSA-N 0 0 456.440 4.865 20 0 JJADRN O[C@@H]([C@H]1CCCN1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455888 1067328211 /nfs/dbraw/zinc/32/82/11/1067328211.db2.gz MRFVYZSYRBKYPO-WBVHZDCISA-N 0 0 456.262 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc(F)cc1F ZINC001453769706 1067328515 /nfs/dbraw/zinc/32/85/15/1067328515.db2.gz LGMOYDTVTBOWFB-MSOLQXFVSA-N 0 0 454.420 4.956 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001459457669 1067328639 /nfs/dbraw/zinc/32/86/39/1067328639.db2.gz RWGMYYNPAFATJZ-FQEVSTJZSA-N 0 0 452.776 4.835 20 0 JJADRN O=C(Nc1n[nH]cc1I)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC001453772011 1067328900 /nfs/dbraw/zinc/32/89/00/1067328900.db2.gz CBNQAKQLQMMKDE-WDEREUQCSA-N 0 0 452.321 4.537 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458962 1067329020 /nfs/dbraw/zinc/32/90/20/1067329020.db2.gz VGTCZKUHDGRWEQ-VLIAUNLRSA-N 0 0 451.792 4.875 20 0 JJADRN O=C(OCc1nc(-c2ccccn2)cs1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001459458716 1067329096 /nfs/dbraw/zinc/32/90/96/1067329096.db2.gz AYBNFYVBIPEUNA-FQEVSTJZSA-N 0 0 458.381 4.848 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001453777994 1067329360 /nfs/dbraw/zinc/32/93/60/1067329360.db2.gz CMRWSAVHDHUIHO-JOCHJYFZSA-N 0 0 450.004 4.649 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)OCc2nc(-c3ccccn3)cs2)cc1 ZINC001459462277 1067329957 /nfs/dbraw/zinc/32/99/57/1067329957.db2.gz UVEGVKNGLNEGMA-UHFFFAOYSA-N 0 0 455.337 4.819 20 0 JJADRN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc3sc(Br)cc3s2)C1 ZINC001453799966 1067330107 /nfs/dbraw/zinc/33/01/07/1067330107.db2.gz BYSDOMLGHPSCGG-LLVKDONJSA-N 0 0 450.383 4.611 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)nc1 ZINC001459463465 1067330482 /nfs/dbraw/zinc/33/04/82/1067330482.db2.gz IFEFEAZMFIHNQK-UHFFFAOYSA-N 0 0 458.337 4.570 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546055230 1067330856 /nfs/dbraw/zinc/33/08/56/1067330856.db2.gz YFMRXFWINOWPME-PRKAKTJASA-N 0 0 497.684 4.971 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC001546055206 1067330962 /nfs/dbraw/zinc/33/09/62/1067330962.db2.gz YCLXGPBKZNEQKF-NEKDWFFYSA-N 0 0 499.675 4.635 20 0 JJADRN COc1cc2ncc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)c(O)c2c(OC)c1 ZINC001453829253 1067331421 /nfs/dbraw/zinc/33/14/21/1067331421.db2.gz XCQKHTJGKNQWKN-LJQANCHMSA-N 0 0 456.542 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC[C@]3(C)Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001453824068 1067331485 /nfs/dbraw/zinc/33/14/85/1067331485.db2.gz RBWPILWDTPPZTL-GNVZTASGSA-N 0 0 452.517 4.742 20 0 JJADRN CC(C)(CCN1CCOCC1)NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1 ZINC001453832284 1067331883 /nfs/dbraw/zinc/33/18/83/1067331883.db2.gz SBEZMCFTWQQRHI-UHFFFAOYSA-N 0 0 455.649 4.698 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cc1ccc(I)cc1 ZINC001459467799 1067332242 /nfs/dbraw/zinc/33/22/42/1067332242.db2.gz WGFYWPPQDSOYDK-UHFFFAOYSA-N 0 0 451.695 4.620 20 0 JJADRN O=C(N[C@H]1CCN(C2CCCCC2)C1=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001453857671 1067332406 /nfs/dbraw/zinc/33/24/06/1067332406.db2.gz ALWTWRUHGFREOH-RJYQMNAMSA-N 0 0 454.517 4.878 20 0 JJADRN C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Br)cc1 ZINC001459469381 1067332846 /nfs/dbraw/zinc/33/28/46/1067332846.db2.gz NZCWZICOGRRYKL-KSFYIVLOSA-N 0 0 451.405 4.802 20 0 JJADRN CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3cccc(Br)c3)cc1)C2 ZINC001453874812 1067333050 /nfs/dbraw/zinc/33/30/50/1067333050.db2.gz CIXJSIXPHKWDME-UHFFFAOYSA-N 0 0 455.356 4.786 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C ZINC001453872858 1067333133 /nfs/dbraw/zinc/33/31/33/1067333133.db2.gz WDYFCIBDRRCKCH-MRNPFCMQSA-N 0 0 452.636 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(OC(C)(C)C)cn2)[C@@H](c2cccc(F)c2)C1 ZINC001459470590 1067333265 /nfs/dbraw/zinc/33/32/65/1067333265.db2.gz YJQRHBVBMOMDCZ-OAQYLSRUSA-N 0 0 457.546 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001453876888 1067333341 /nfs/dbraw/zinc/33/33/41/1067333341.db2.gz KPHVSPQQDOTZQJ-GOSISDBHSA-N 0 0 456.505 4.617 20 0 JJADRN O=C([C@@H](Oc1ccccc1Br)c1ccccc1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC001453875751 1067333358 /nfs/dbraw/zinc/33/33/58/1067333358.db2.gz AFAIXXDXTHIRFJ-YJBOKZPZSA-N 0 0 458.274 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC001453877044 1067333372 /nfs/dbraw/zinc/33/33/72/1067333372.db2.gz SPGYMVSJYQMYJP-UHFFFAOYSA-N 0 0 459.331 4.614 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c(Cl)cc1Cl ZINC001453876075 1067333434 /nfs/dbraw/zinc/33/34/34/1067333434.db2.gz BIZLHIQTOBONRS-PMACEKPBSA-N 0 0 469.434 4.850 20 0 JJADRN CN(CCc1ccc(Br)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001459475613 1067334252 /nfs/dbraw/zinc/33/42/52/1067334252.db2.gz JAOTXVBFNMCQPG-UHFFFAOYSA-N 0 0 451.364 4.793 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCCNc1cc(OC)cc(OC)c1)c(C)n2C1CCCC1 ZINC001546055795 1067334224 /nfs/dbraw/zinc/33/42/24/1067334224.db2.gz PWGYYFUDLAAVAD-UHFFFAOYSA-N 0 0 451.567 4.933 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc4cc(F)c(Cl)cc4[nH]3)cc2)cc1 ZINC001453898334 1067334875 /nfs/dbraw/zinc/33/48/75/1067334875.db2.gz BXRVYXBLUZFTJE-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](c2ccncc2)C1 ZINC001459479928 1067335884 /nfs/dbraw/zinc/33/58/84/1067335884.db2.gz IYPVTOHXFNHAID-IBGZPJMESA-N 0 0 450.366 4.752 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001459481298 1067335959 /nfs/dbraw/zinc/33/59/59/1067335959.db2.gz MCJVITWGEXDISD-HFZDXXHNSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3c(F)cc(Br)cc3F)C2)C1 ZINC001459484735 1067336122 /nfs/dbraw/zinc/33/61/22/1067336122.db2.gz MYTOVWREDRWVEA-HXUWFJFHSA-N 0 0 459.331 4.591 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001459481449 1067336383 /nfs/dbraw/zinc/33/63/83/1067336383.db2.gz SOTMUUMYJXLPSR-UPTOSOBMSA-N 0 0 453.542 4.756 20 0 JJADRN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)nn1-c1ccc(Cl)cc1 ZINC001459489711 1067336906 /nfs/dbraw/zinc/33/69/06/1067336906.db2.gz UDEZSNHFVWPIEI-DEOSSOPVSA-N 0 0 458.990 4.697 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001459491686 1067337711 /nfs/dbraw/zinc/33/77/11/1067337711.db2.gz VUIOSNQJKOQNMP-WOJBJXKFSA-N 0 0 459.974 4.713 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(CC/C=C\c3ccc(Br)cc3)CC2)c1 ZINC001459493890 1067338689 /nfs/dbraw/zinc/33/86/89/1067338689.db2.gz YJWOTCQMIGNQKZ-CTKIROQKSA-N 0 0 457.412 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)[C@H](c2ccncc2)C1 ZINC001459495409 1067338712 /nfs/dbraw/zinc/33/87/12/1067338712.db2.gz YUINCHKJGNXPQZ-FQEVSTJZSA-N 0 0 451.498 4.915 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)C1 ZINC001546109288 1067339240 /nfs/dbraw/zinc/33/92/40/1067339240.db2.gz YGRFFKNRQFJTTB-HXUWFJFHSA-N 0 0 463.667 4.572 20 0 JJADRN C[C@@H](C1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001459515067 1067342737 /nfs/dbraw/zinc/34/27/37/1067342737.db2.gz MQCIHBZPDKUULX-JXFKEZNVSA-N 0 0 451.405 4.977 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1ccnc(-n2cncn2)c1 ZINC001459517681 1067343027 /nfs/dbraw/zinc/34/30/27/1067343027.db2.gz FUSIITRAAYHBPU-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520865 1067343478 /nfs/dbraw/zinc/34/34/78/1067343478.db2.gz YAPVWPFPBOVPMM-LJQANCHMSA-N 0 0 456.656 4.575 20 0 JJADRN COc1cccc(CN(CC(=O)Nc2nc(-c3cccs3)cs2)C2CCC(O)CC2)c1 ZINC001459527681 1067344959 /nfs/dbraw/zinc/34/49/59/1067344959.db2.gz MQZDZRNZJGNNLE-UHFFFAOYSA-N 0 0 457.621 4.624 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl ZINC001459528488 1067345528 /nfs/dbraw/zinc/34/55/28/1067345528.db2.gz PPKVCKGQWJCRBW-LJQANCHMSA-N 0 0 451.972 4.830 20 0 JJADRN Cc1c(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)nnn1-c1ccc(C)cc1 ZINC001459528319 1067345623 /nfs/dbraw/zinc/34/56/23/1067345623.db2.gz ORMQGLVHQYKPTG-UHFFFAOYSA-N 0 0 453.384 4.595 20 0 JJADRN O=C(COc1cccc(Br)c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001459529261 1067345826 /nfs/dbraw/zinc/34/58/26/1067345826.db2.gz PDBWWJXPNJBABM-UHFFFAOYSA-N 0 0 453.174 4.997 20 0 JJADRN COc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001459530272 1067345891 /nfs/dbraw/zinc/34/58/91/1067345891.db2.gz OCYYDNJYIMFLTN-APWZRJJASA-N 0 0 456.970 4.537 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C(C)(C)C ZINC001459529612 1067345909 /nfs/dbraw/zinc/34/59/09/1067345909.db2.gz WAEPKBNGDOMCLX-QHCPKHFHSA-N 0 0 451.611 4.919 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1ccncc1OCC(F)(F)F ZINC001459532489 1067346549 /nfs/dbraw/zinc/34/65/49/1067346549.db2.gz QNKJHWMXQRZEMN-UHFFFAOYSA-N 0 0 459.428 4.538 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1F ZINC001459533110 1067347004 /nfs/dbraw/zinc/34/70/04/1067347004.db2.gz ZWSVMDINVGPOLT-UHFFFAOYSA-N 0 0 457.216 4.878 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC001459534017 1067347164 /nfs/dbraw/zinc/34/71/64/1067347164.db2.gz VPIJBOGTADVZJG-HSALFYBXSA-N 0 0 452.595 4.758 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Br)c1Cl ZINC001459536616 1067347314 /nfs/dbraw/zinc/34/73/14/1067347314.db2.gz ZJXSNTSNDHGILM-UHFFFAOYSA-N 0 0 450.720 4.566 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(CC)Cc1ccccc1Br ZINC001459538902 1067347422 /nfs/dbraw/zinc/34/74/22/1067347422.db2.gz SRZHJOJPEYSJTO-FQEVSTJZSA-N 0 0 459.384 4.501 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001459547458 1067349057 /nfs/dbraw/zinc/34/90/57/1067349057.db2.gz HLEUFMBQSHHHNG-SAWYMBPVSA-N 0 0 457.442 4.936 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cnn(-c2cccc(C)c2)c1C ZINC001459551618 1067349248 /nfs/dbraw/zinc/34/92/48/1067349248.db2.gz UUTXVOQPLWQCRP-UHFFFAOYSA-N 0 0 459.377 4.574 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C)c2ccsc2)cc1 ZINC001459557457 1067350712 /nfs/dbraw/zinc/35/07/12/1067350712.db2.gz IUJBJVLLQXHEPY-HNNXBMFYSA-N 0 0 454.573 4.757 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)nnc1-c1cccc(C)c1 ZINC001459562055 1067351782 /nfs/dbraw/zinc/35/17/82/1067351782.db2.gz GAKNPIXFNKLVKH-GFCCVEGCSA-N 0 0 455.531 4.718 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1N1CCNC1=O ZINC001459562081 1067351833 /nfs/dbraw/zinc/35/18/33/1067351833.db2.gz GJTAZYMDHDVJCO-UHFFFAOYSA-N 0 0 456.424 4.983 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 ZINC001459564107 1067352362 /nfs/dbraw/zinc/35/23/62/1067352362.db2.gz MSGBNVSKLFSROI-UHFFFAOYSA-N 0 0 457.534 4.924 20 0 JJADRN CCN(CC1CCN([C@H](C(=O)OC)c2ccccc2C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC001459562732 1067352435 /nfs/dbraw/zinc/35/24/35/1067352435.db2.gz PMJGNMRRAGBKMC-IBGZPJMESA-N 0 0 458.521 4.889 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1Br ZINC001459564760 1067352924 /nfs/dbraw/zinc/35/29/24/1067352924.db2.gz QKJIFXGKGLDDOJ-OAHLLOKOSA-N 0 0 452.190 4.837 20 0 JJADRN C[C@@H]1CC(=O)Oc2cc(OC(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)ccc21 ZINC001459565162 1067353212 /nfs/dbraw/zinc/35/32/12/1067353212.db2.gz RALNPEXTEKJJFS-JTPVFQMPSA-N 0 0 453.922 4.753 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1(c2cccs2)CCCCC1 ZINC001459568432 1067354400 /nfs/dbraw/zinc/35/44/00/1067354400.db2.gz JPKLUXHJVXSEBZ-UHFFFAOYSA-N 0 0 459.413 4.952 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)C1 ZINC001459569481 1067354500 /nfs/dbraw/zinc/35/45/00/1067354500.db2.gz IEAIQALDWKHCCQ-DEOSSOPVSA-N 0 0 454.596 4.792 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571469 1067354943 /nfs/dbraw/zinc/35/49/43/1067354943.db2.gz BDZITCUMOLLVOE-DZGCQCFKSA-N 0 0 458.550 4.588 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)ccc21 ZINC001459576727 1067355579 /nfs/dbraw/zinc/35/55/79/1067355579.db2.gz HZZNMXPGGUDLHB-FGZHOGPDSA-N 0 0 451.542 4.981 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cnc(-c3ccccc3Br)s2)C1 ZINC001459575657 1067355592 /nfs/dbraw/zinc/35/55/92/1067355592.db2.gz RKUNLKFKIWBHBG-HXUWFJFHSA-N 0 0 451.386 4.624 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC001459575315 1067355606 /nfs/dbraw/zinc/35/56/06/1067355606.db2.gz VNVUVRKWSMOTQI-QGZVFWFLSA-N 0 0 451.748 4.581 20 0 JJADRN C[C@@H]1CN(CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)[C@@H](c2ccccc2)CO1 ZINC001459583759 1067357014 /nfs/dbraw/zinc/35/70/14/1067357014.db2.gz WDSYDBHOQRGHDE-GVCORALISA-N 0 0 454.998 4.599 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC001459583217 1067357056 /nfs/dbraw/zinc/35/70/56/1067357056.db2.gz MFIKCRCCKQOAIP-XJKSGUPXSA-N 0 0 456.121 4.648 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001459585169 1067357492 /nfs/dbraw/zinc/35/74/92/1067357492.db2.gz KBCPDIHLPQAAHE-UHFFFAOYSA-N 0 0 457.785 4.959 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)cn2)C[C@H](C)O1 ZINC001459588086 1067358208 /nfs/dbraw/zinc/35/82/08/1067358208.db2.gz AQEPPSGBEVVIGK-ROUUACIJSA-N 0 0 454.958 4.587 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC001459588751 1067358280 /nfs/dbraw/zinc/35/82/80/1067358280.db2.gz TUIQWTVLGUWPNN-LBPRGKRZSA-N 0 0 457.281 4.740 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccnc2OCc2ccccc2F)c2cc(Br)ccc2O1 ZINC001459594864 1067359502 /nfs/dbraw/zinc/35/95/02/1067359502.db2.gz WWNXSHRHEYMHSF-CQSZACIVSA-N 0 0 457.299 4.990 20 0 JJADRN CCC(=O)Nc1cccc(COC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001459596572 1067359953 /nfs/dbraw/zinc/35/99/53/1067359953.db2.gz VZEZLMYEINJLFV-UHFFFAOYSA-N 0 0 456.340 4.957 20 0 JJADRN CSc1ncc(C(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1-c1ccc(F)cc1 ZINC001459598612 1067360384 /nfs/dbraw/zinc/36/03/84/1067360384.db2.gz QZQPJMXQYSFLHM-OAHLLOKOSA-N 0 0 454.527 4.523 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](CO)c1c(F)cccc1F ZINC001546110378 1067361113 /nfs/dbraw/zinc/36/11/13/1067361113.db2.gz XVPZFGFDVFVONF-PXAZEXFGSA-N 0 0 452.910 4.745 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607422 1067362018 /nfs/dbraw/zinc/36/20/18/1067362018.db2.gz IUUNKVXZMIQOBL-FQEVSTJZSA-N 0 0 454.368 4.889 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ncc(C(F)(F)F)s3)cc2)cc1 ZINC001459607725 1067362109 /nfs/dbraw/zinc/36/21/09/1067362109.db2.gz IUGDMTDIILSBHE-UHFFFAOYSA-N 0 0 455.479 4.801 20 0 JJADRN COc1ccc(-n2nnc(C(=O)N3CCC[C@@H]3c3ccc(Br)c(C)c3)c2C)cc1 ZINC001459614404 1067364714 /nfs/dbraw/zinc/36/47/14/1067364714.db2.gz BJSZRMDAEFOHPT-HXUWFJFHSA-N 0 0 455.356 4.633 20 0 JJADRN O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001459615148 1067364825 /nfs/dbraw/zinc/36/48/25/1067364825.db2.gz KSLPKIDAFCFJES-UHFFFAOYSA-N 0 0 459.300 4.692 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001459616183 1067365248 /nfs/dbraw/zinc/36/52/48/1067365248.db2.gz FCMIFXUWMNFIFS-RZAIGCCYSA-N 0 0 457.279 4.688 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001459616181 1067365355 /nfs/dbraw/zinc/36/53/55/1067365355.db2.gz FCMIFXUWMNFIFS-JBBXEZCESA-N 0 0 457.279 4.688 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)N1Cc2ccccc2C1=O ZINC001459618669 1067365532 /nfs/dbraw/zinc/36/55/32/1067365532.db2.gz KSAUPRVOMSJPHW-RTWAWAEBSA-N 0 0 459.359 4.932 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626249 1067367289 /nfs/dbraw/zinc/36/72/89/1067367289.db2.gz ZZXZQRSLXWUPPX-SFHVURJKSA-N 0 0 456.546 4.888 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1oc2ccccc2c1Br ZINC001459632302 1067368687 /nfs/dbraw/zinc/36/86/87/1067368687.db2.gz PKIWKNBQBDIAMK-OAHLLOKOSA-N 0 0 450.716 4.753 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)CCO1 ZINC001459635549 1067369108 /nfs/dbraw/zinc/36/91/08/1067369108.db2.gz OGVVDCCLZNXDPP-WOJBJXKFSA-N 0 0 450.348 4.720 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001459637101 1067369667 /nfs/dbraw/zinc/36/96/67/1067369667.db2.gz JVAUHMCTJDLQQO-UHFFFAOYSA-N 0 0 450.103 4.845 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC001459637639 1067370035 /nfs/dbraw/zinc/37/00/35/1067370035.db2.gz ZRRXDPWAPILLGN-INIZCTEOSA-N 0 0 450.716 4.753 20 0 JJADRN COCc1c(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cnn1-c1ccccc1 ZINC001459640700 1067370330 /nfs/dbraw/zinc/37/03/30/1067370330.db2.gz XOVZXYLGJKOKDP-UHFFFAOYSA-N 0 0 454.502 4.905 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)sc1Cc1ccc(F)cc1F ZINC001459639555 1067370376 /nfs/dbraw/zinc/37/03/76/1067370376.db2.gz UBPHETAMZDHUDU-KRWDZBQOSA-N 0 0 455.530 4.929 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2c(F)ccc(C)c2Br)CC1=O ZINC001459646772 1067371046 /nfs/dbraw/zinc/37/10/46/1067371046.db2.gz CEYWZYAPXLXLFX-LLVKDONJSA-N 0 0 455.711 4.550 20 0 JJADRN COC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccc(Cl)cc1 ZINC001459645551 1067371155 /nfs/dbraw/zinc/37/11/55/1067371155.db2.gz BBEHNZYOCRVARY-GBXCKJPGSA-N 0 0 450.966 4.849 20 0 JJADRN COC[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC001459648684 1067371289 /nfs/dbraw/zinc/37/12/89/1067371289.db2.gz KZIWFECPHFFUDP-OAQYLSRUSA-N 0 0 450.901 4.844 20 0 JJADRN Cc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)nn1C1CCOCC1 ZINC001459649945 1067371759 /nfs/dbraw/zinc/37/17/59/1067371759.db2.gz NTDWAILAYPPVTH-UHFFFAOYSA-N 0 0 450.486 4.568 20 0 JJADRN CC(C)(C)c1nc(COC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)no1 ZINC001459652367 1067372214 /nfs/dbraw/zinc/37/22/14/1067372214.db2.gz NZUSJPULDLFRQI-UHFFFAOYSA-N 0 0 459.344 4.551 20 0 JJADRN C[C@H](CC(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001459651151 1067372300 /nfs/dbraw/zinc/37/23/00/1067372300.db2.gz QLWYLLLHBTWZPW-CQSZACIVSA-N 0 0 458.382 4.923 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cc(F)c(Br)cc3Cl)CCC2=O)c1 ZINC001459655253 1067372598 /nfs/dbraw/zinc/37/25/98/1067372598.db2.gz XPTOCCFSSVFVAW-UHFFFAOYSA-N 0 0 452.711 4.980 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)C2)c1 ZINC001459656258 1067372913 /nfs/dbraw/zinc/37/29/13/1067372913.db2.gz BKAYMNCXFLZTAH-LJQANCHMSA-N 0 0 459.289 4.716 20 0 JJADRN Cc1ccc(N(CCC(=O)N(C)Cc2cc(C)ccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC001459657052 1067372968 /nfs/dbraw/zinc/37/29/68/1067372968.db2.gz AEXVARBQUQHEOX-UHFFFAOYSA-N 0 0 454.567 4.687 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC001459657941 1067373533 /nfs/dbraw/zinc/37/35/33/1067373533.db2.gz NUBVHAAJEBUJSL-UQBPGWFLSA-N 0 0 451.588 4.965 20 0 JJADRN O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)C1([C@H]2CCCCO2)CCOCC1 ZINC001459658988 1067373740 /nfs/dbraw/zinc/37/37/40/1067373740.db2.gz LGPPBDBEJUNBGI-GOSISDBHSA-N 0 0 452.338 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1 ZINC001459659028 1067373775 /nfs/dbraw/zinc/37/37/75/1067373775.db2.gz LMZKPRZUWYPDCR-UHFFFAOYSA-N 0 0 453.326 4.962 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC001546110768 1067373966 /nfs/dbraw/zinc/37/39/66/1067373966.db2.gz MTIAQRVMZURQGI-UHFFFAOYSA-N 0 0 485.654 4.724 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)c2)c1C ZINC001459660015 1067374077 /nfs/dbraw/zinc/37/40/77/1067374077.db2.gz IJSLTFGLJWTTPA-HSZRJFAPSA-N 0 0 454.615 4.865 20 0 JJADRN CCCc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)cnn1-c1cccc(C)c1 ZINC001459660577 1067374273 /nfs/dbraw/zinc/37/42/73/1067374273.db2.gz JOKXEYFGVSIPJA-JOCHJYFZSA-N 0 0 454.615 4.947 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C1CCCC1 ZINC001459661131 1067374720 /nfs/dbraw/zinc/37/47/20/1067374720.db2.gz JVZIBKLHUXSVEG-SFHVURJKSA-N 0 0 453.421 4.926 20 0 JJADRN Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664285 1067375754 /nfs/dbraw/zinc/37/57/54/1067375754.db2.gz PPIYBOYQZJPEGP-RUZDIDTESA-N 0 0 456.590 4.655 20 0 JJADRN Cc1cccc(OCCCNC(=O)CN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001459668486 1067376981 /nfs/dbraw/zinc/37/69/81/1067376981.db2.gz KFMMVUYRDUNCOZ-UHFFFAOYSA-N 0 0 453.583 4.532 20 0 JJADRN Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccccc2Br)n(-c2ccccc2F)n1 ZINC001459668600 1067377782 /nfs/dbraw/zinc/37/77/82/1067377782.db2.gz HVODUGWJYMAIKK-LJQANCHMSA-N 0 0 457.347 4.858 20 0 JJADRN C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001459671684 1067378852 /nfs/dbraw/zinc/37/88/52/1067378852.db2.gz TVZUANPGVZHEHL-DNVCBOLYSA-N 0 0 456.414 4.598 20 0 JJADRN COc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1 ZINC001459672481 1067379089 /nfs/dbraw/zinc/37/90/89/1067379089.db2.gz GTWWBTVEQUXZJN-UHFFFAOYSA-N 0 0 452.576 4.594 20 0 JJADRN O=C(CN1CCC(NC(=O)NC2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459675176 1067380361 /nfs/dbraw/zinc/38/03/61/1067380361.db2.gz DRISYDGIOCNZGQ-UHFFFAOYSA-N 0 0 450.583 4.514 20 0 JJADRN CCN(CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(Br)cc1 ZINC001459676340 1067380951 /nfs/dbraw/zinc/38/09/51/1067380951.db2.gz MBUZJSGSEURUNA-UHFFFAOYSA-N 0 0 451.434 4.603 20 0 JJADRN CCCCn1c(CN(CC)c2ccc(CC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459677331 1067381085 /nfs/dbraw/zinc/38/10/85/1067381085.db2.gz RBFAFYIQGGLTGL-UHFFFAOYSA-N 0 0 459.594 4.736 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(Oc2ccccc2)c1 ZINC001459679413 1067381405 /nfs/dbraw/zinc/38/14/05/1067381405.db2.gz SAYLIWNEVLSSQO-OAQYLSRUSA-N 0 0 451.320 4.777 20 0 JJADRN Cc1ccc(C(C)C)c(OCCC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001459680017 1067381848 /nfs/dbraw/zinc/38/18/48/1067381848.db2.gz VZOSACRATVJQKT-FQEVSTJZSA-N 0 0 459.384 4.572 20 0 JJADRN CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3=O)CC2)cc1 ZINC001459680069 1067381933 /nfs/dbraw/zinc/38/19/33/1067381933.db2.gz XAHKWVWRVRHXED-FQEVSTJZSA-N 0 0 455.396 4.700 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1F ZINC001459682218 1067382030 /nfs/dbraw/zinc/38/20/30/1067382030.db2.gz OYBFLEVBFCZSOD-NTCAYCPXSA-N 0 0 453.432 4.958 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546111108 1067382051 /nfs/dbraw/zinc/38/20/51/1067382051.db2.gz YWTJMQJVBAQOSE-QFIPXVFZSA-N 0 0 468.596 4.862 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC ZINC001459682726 1067382147 /nfs/dbraw/zinc/38/21/47/1067382147.db2.gz QZQWLIUYTOWJMV-INIZCTEOSA-N 0 0 451.485 4.723 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)nc1 ZINC001459682558 1067382242 /nfs/dbraw/zinc/38/22/42/1067382242.db2.gz QCHOIWPMIGVPNO-UHFFFAOYSA-N 0 0 458.743 4.955 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001459686010 1067383296 /nfs/dbraw/zinc/38/32/96/1067383296.db2.gz BUORRZVWBHLPRB-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001459687646 1067384129 /nfs/dbraw/zinc/38/41/29/1067384129.db2.gz LEFMQXSMLFIFLZ-QGZVFWFLSA-N 0 0 458.427 4.815 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)ccc1Br ZINC001459689327 1067384415 /nfs/dbraw/zinc/38/44/15/1067384415.db2.gz PZQDQIXCCLDOCU-SFHVURJKSA-N 0 0 456.361 4.645 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)ccc1Br ZINC001459689325 1067384609 /nfs/dbraw/zinc/38/46/09/1067384609.db2.gz PZQDQIXCCLDOCU-GOSISDBHSA-N 0 0 456.361 4.645 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(OC(F)F)c2)c(Br)c1 ZINC001459692735 1067385244 /nfs/dbraw/zinc/38/52/44/1067385244.db2.gz XFJTUJVJLYVHBN-INIZCTEOSA-N 0 0 455.299 4.575 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)CC(=O)NCc1cccc(COCc3ccco3)c1)CCC2 ZINC001459693341 1067385697 /nfs/dbraw/zinc/38/56/97/1067385697.db2.gz GWZQTWBSQDPRSC-JOCHJYFZSA-N 0 0 453.608 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459694636 1067386281 /nfs/dbraw/zinc/38/62/81/1067386281.db2.gz APJPDXHNGFVOCR-UHFFFAOYSA-N 0 0 455.521 4.900 20 0 JJADRN CCOC(=O)c1c(C(F)(F)F)coc1CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001459695141 1067386430 /nfs/dbraw/zinc/38/64/30/1067386430.db2.gz SFKDBFRPHPWLBK-MRXNPFEDSA-N 0 0 453.461 4.651 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(Cl)cc1Cl ZINC001459696751 1067387011 /nfs/dbraw/zinc/38/70/11/1067387011.db2.gz FNEIBZSRIWXGRZ-KGLIPLIRSA-N 0 0 455.769 4.752 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)CCSc1ccccc1F)c1ccc(Br)cc1C ZINC001459703924 1067388811 /nfs/dbraw/zinc/38/88/11/1067388811.db2.gz JZTOBGIDMDLOOX-CQSZACIVSA-N 0 0 454.361 4.974 20 0 JJADRN COc1cc(OC)c(CNC(=O)CN(Cc2ccc(Cl)cc2)c2ccccc2)c(OC)c1 ZINC001459706175 1067389244 /nfs/dbraw/zinc/38/92/44/1067389244.db2.gz IHABNLJWAMVTLO-UHFFFAOYSA-N 0 0 454.954 4.689 20 0 JJADRN Cn1nc(CCC[N@H+](C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)cc1-c1ccc(F)cc1 ZINC001459707605 1067389890 /nfs/dbraw/zinc/38/98/90/1067389890.db2.gz KQQUKEUZAAMWPC-UHFFFAOYSA-N 0 0 455.917 4.756 20 0 JJADRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN(CCO)c1ccccc1 ZINC001459707516 1067390043 /nfs/dbraw/zinc/39/00/43/1067390043.db2.gz MWHGRZJSPLLHFZ-UHFFFAOYSA-N 0 0 458.967 4.683 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)nc2ccccc21 ZINC001459708936 1067390924 /nfs/dbraw/zinc/39/09/24/1067390924.db2.gz ANDWMFNSRXCIRK-UHFFFAOYSA-N 0 0 451.429 4.978 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1C ZINC001459710131 1067391347 /nfs/dbraw/zinc/39/13/47/1067391347.db2.gz AGPVYKVUMMBGBY-ZDUSSCGKSA-N 0 0 458.274 4.914 20 0 JJADRN O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001459710787 1067391786 /nfs/dbraw/zinc/39/17/86/1067391786.db2.gz QWVAVAOYWNTAAW-QGZVFWFLSA-N 0 0 453.445 4.749 20 0 JJADRN Cc1c(Br)ccc(NC(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)c1F ZINC001459711882 1067391916 /nfs/dbraw/zinc/39/19/16/1067391916.db2.gz ZAYUPMGLXXMMKQ-CYBMUJFWSA-N 0 0 459.356 4.545 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712334 1067392071 /nfs/dbraw/zinc/39/20/71/1067392071.db2.gz BJVHNDBEFGPQPL-GDBMZVCRSA-N 0 0 458.921 4.744 20 0 JJADRN CC(=O)N(c1nc(CN2CCN(Cc3cccc(O)c3)CC2)cs1)c1ccc(Cl)cc1 ZINC001459711915 1067392109 /nfs/dbraw/zinc/39/21/09/1067392109.db2.gz YNGHEDCTBVNRIK-UHFFFAOYSA-N 0 0 456.999 4.505 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(Br)cc1C ZINC001459713744 1067392558 /nfs/dbraw/zinc/39/25/58/1067392558.db2.gz UNKQHRIOYPYUDO-AFAVFJNCSA-N 0 0 452.295 4.734 20 0 JJADRN Cc1ccccc1-c1nc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)no1 ZINC001459713820 1067392758 /nfs/dbraw/zinc/39/27/58/1067392758.db2.gz LMJZHHFXBVCSET-UHFFFAOYSA-N 0 0 455.356 4.658 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)CCCc1ccc(F)c(F)c1)c1ccc(Br)cc1C ZINC001459714962 1067393256 /nfs/dbraw/zinc/39/32/56/1067393256.db2.gz ZBNDWBBJAUOCGG-CQSZACIVSA-N 0 0 454.311 4.953 20 0 JJADRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(-c3ccccc3)ccc2Cl)C1=O ZINC001459722565 1067395856 /nfs/dbraw/zinc/39/58/56/1067395856.db2.gz KVIRQLXXKNDWEU-DEOSSOPVSA-N 0 0 451.885 4.552 20 0 JJADRN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC001459723302 1067396054 /nfs/dbraw/zinc/39/60/54/1067396054.db2.gz USJLIZKYVJEMBZ-DEOSSOPVSA-N 0 0 453.564 4.853 20 0 JJADRN CC(=O)N(c1nc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cs1)c1ccc(C)cc1 ZINC001459724139 1067396226 /nfs/dbraw/zinc/39/62/26/1067396226.db2.gz WEBLWEXNTAFJMF-DEOSSOPVSA-N 0 0 458.628 4.919 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459726636 1067397070 /nfs/dbraw/zinc/39/70/70/1067397070.db2.gz BGNRIFPJFMRFLM-GMBSWORKSA-N 0 0 458.430 4.874 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1ccc(Oc2ccncc2)c(C)c1)c1cccc(Br)c1 ZINC001459728974 1067397933 /nfs/dbraw/zinc/39/79/33/1067397933.db2.gz LPLNKHNTVLYKPG-OAQYLSRUSA-N 0 0 454.324 4.761 20 0 JJADRN CCCCCOc1ccc(Br)cc1CN1CCN(Cc2c(C)noc2C)CC1 ZINC001459728843 1067398075 /nfs/dbraw/zinc/39/80/75/1067398075.db2.gz FZUWUGYPCMLNSU-UHFFFAOYSA-N 0 0 450.421 4.941 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2cccc(Cl)c2O1 ZINC001459730086 1067398468 /nfs/dbraw/zinc/39/84/68/1067398468.db2.gz UREDTUWGLOHAOM-MRXNPFEDSA-N 0 0 456.951 4.593 20 0 JJADRN Cc1nc(C(C)(C)NCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)no1 ZINC001459733051 1067398925 /nfs/dbraw/zinc/39/89/25/1067398925.db2.gz QDEWBDLBWRPRMW-UHFFFAOYSA-N 0 0 458.566 4.619 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1Cl)C(C)C ZINC001459734964 1067399358 /nfs/dbraw/zinc/39/93/58/1067399358.db2.gz FYAPPGZCRYCRQX-GOSISDBHSA-N 0 0 455.986 4.819 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1OC ZINC001459734643 1067399444 /nfs/dbraw/zinc/39/94/44/1067399444.db2.gz BWONOVLXANXRHQ-UHFFFAOYSA-N 0 0 453.495 4.641 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1OC ZINC001459736233 1067399705 /nfs/dbraw/zinc/39/97/05/1067399705.db2.gz ODQVLTRIFUCYBW-UHFFFAOYSA-N 0 0 458.470 4.662 20 0 JJADRN CCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459735813 1067399727 /nfs/dbraw/zinc/39/97/27/1067399727.db2.gz TZMRGQAVYAIEEW-MUUNZHRXSA-N 0 0 459.565 4.680 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC001459736724 1067399809 /nfs/dbraw/zinc/39/98/09/1067399809.db2.gz UKNDTQMITFYGPS-UHFFFAOYSA-N 0 0 455.894 4.975 20 0 JJADRN COC(=O)c1cc(F)cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1F ZINC001459735727 1067399880 /nfs/dbraw/zinc/39/98/80/1067399880.db2.gz MQEOJNZTKZOOJP-UHFFFAOYSA-N 0 0 455.442 4.685 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)N(CC)CC)cc1)C1CC1 ZINC001459737805 1067400072 /nfs/dbraw/zinc/40/00/72/1067400072.db2.gz BKSVKRPHNOPVNG-QFIPXVFZSA-N 0 0 456.970 4.731 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)N(CC)CC)cc1)C1CC1 ZINC001459737802 1067400108 /nfs/dbraw/zinc/40/01/08/1067400108.db2.gz BKSVKRPHNOPVNG-JOCHJYFZSA-N 0 0 456.970 4.731 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741136 1067401558 /nfs/dbraw/zinc/40/15/58/1067401558.db2.gz ITIZUYLUWFOIDW-KRWDZBQOSA-N 0 0 455.356 4.658 20 0 JJADRN COc1cc(CC(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc(OC)c1OC ZINC001459741715 1067401990 /nfs/dbraw/zinc/40/19/90/1067401990.db2.gz NVHINLMDELUNMD-UHFFFAOYSA-N 0 0 451.903 4.861 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CN2c3ccccc3CC[C@@H]2CC)c(C(=O)OCC)c1C ZINC001459742405 1067402017 /nfs/dbraw/zinc/40/20/17/1067402017.db2.gz AXYWBWDIPALLFE-KRWDZBQOSA-N 0 0 458.580 4.580 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(C)n(-c2ccc(F)cc2)n1)C1CC1 ZINC001459742818 1067402528 /nfs/dbraw/zinc/40/25/28/1067402528.db2.gz QIDNHMOPHNNYKU-JOCHJYFZSA-N 0 0 455.917 4.882 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC001459743318 1067403055 /nfs/dbraw/zinc/40/30/55/1067403055.db2.gz BTUAXTHUSSKEGY-QFIPXVFZSA-N 0 0 452.982 4.663 20 0 JJADRN Cc1cccc(CN(CCC(=O)Nc2cccc(Br)c2)Cc2cccc(C)n2)n1 ZINC001459746388 1067403999 /nfs/dbraw/zinc/40/39/99/1067403999.db2.gz KCBAJFSQAPBDGG-UHFFFAOYSA-N 0 0 453.384 4.887 20 0 JJADRN CCCCCN(Cc1ccc(C)cc1Br)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC001459745600 1067404039 /nfs/dbraw/zinc/40/40/39/1067404039.db2.gz KFBYUXJYRBBVHB-UHFFFAOYSA-N 0 0 451.409 4.599 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)ccc1F ZINC001459748053 1067404993 /nfs/dbraw/zinc/40/49/93/1067404993.db2.gz JYJWMCFIFZEQMS-UHFFFAOYSA-N 0 0 450.308 4.642 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001459749866 1067405336 /nfs/dbraw/zinc/40/53/36/1067405336.db2.gz XKILKQHNKTWPEG-IBGZPJMESA-N 0 0 459.546 4.862 20 0 JJADRN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC(C)(C)c2c1cccc2Cl ZINC001459748682 1067405416 /nfs/dbraw/zinc/40/54/16/1067405416.db2.gz RYZKQARTRYZYIF-LBPRGKRZSA-N 0 0 451.876 4.830 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001459749348 1067405492 /nfs/dbraw/zinc/40/54/92/1067405492.db2.gz RAUHINUIXMAMQY-UHFFFAOYSA-N 0 0 454.998 4.680 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001459754350 1067407469 /nfs/dbraw/zinc/40/74/69/1067407469.db2.gz FIGNKUYSYCAJAF-DEOSSOPVSA-N 0 0 452.982 4.509 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001459754728 1067407859 /nfs/dbraw/zinc/40/78/59/1067407859.db2.gz PUQFWZFBPULGAG-ACCUITESSA-N 0 0 450.991 4.995 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCc1c(F)cccc1OC(F)F ZINC001459754798 1067407899 /nfs/dbraw/zinc/40/78/99/1067407899.db2.gz QMEOPGXRGHXTGP-UHFFFAOYSA-N 0 0 451.445 4.984 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Oc2ccc3cccnc3c2)C1 ZINC001459754565 1067407958 /nfs/dbraw/zinc/40/79/58/1067407958.db2.gz WAOJSSGZFFZHLJ-QGZVFWFLSA-N 0 0 453.336 4.764 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)s2)cc1OC ZINC001459755597 1067408465 /nfs/dbraw/zinc/40/84/65/1067408465.db2.gz RNPVZWRLTMBMNH-IYBDPMFKSA-N 0 0 453.564 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccccc1 ZINC001459756331 1067408856 /nfs/dbraw/zinc/40/88/56/1067408856.db2.gz VYEMUWRLPWMPDC-OAQYLSRUSA-N 0 0 453.970 4.945 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccccc2O1 ZINC001459756198 1067408862 /nfs/dbraw/zinc/40/88/62/1067408862.db2.gz RVNNCSBPHPQCOG-AUSIDOKSSA-N 0 0 459.631 4.596 20 0 JJADRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1scc(Br)c1Br ZINC001459756581 1067408884 /nfs/dbraw/zinc/40/88/84/1067408884.db2.gz XTBGRIOKOWTNHH-GFCCVEGCSA-N 0 0 458.219 4.920 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccnc(Br)c3)C2)n1 ZINC001459758861 1067410295 /nfs/dbraw/zinc/41/02/95/1067410295.db2.gz NDVLLDPTHKYVKH-HNNXBMFYSA-N 0 0 458.381 4.996 20 0 JJADRN COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)sc1C ZINC001459760159 1067411426 /nfs/dbraw/zinc/41/14/26/1067411426.db2.gz FDNAVVJZCBBIJK-LRDDRELGSA-N 0 0 456.486 4.679 20 0 JJADRN O=C(NCc1sccc1Br)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001459760863 1067411902 /nfs/dbraw/zinc/41/19/02/1067411902.db2.gz CMUPAMQOHQNJCK-UHFFFAOYSA-N 0 0 454.777 4.838 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)NCc3sccc3Br)ccc21 ZINC001459761224 1067411926 /nfs/dbraw/zinc/41/19/26/1067411926.db2.gz FBOVVFIABPQTNK-UHFFFAOYSA-N 0 0 456.365 4.847 20 0 JJADRN CCCCCCN(C(=O)CN1CCO[C@H]([C@@H]2CCCO2)C1)c1nc(-c2ccccc2)cs1 ZINC001459762264 1067412461 /nfs/dbraw/zinc/41/24/61/1067412461.db2.gz JTYIFPSGVXHTDN-GOTSBHOMSA-N 0 0 457.640 4.603 20 0 JJADRN CCn1c2ccccc2n(CC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1=O ZINC001459764695 1067413466 /nfs/dbraw/zinc/41/34/66/1067413466.db2.gz KZZBOXQWTVXROS-UHFFFAOYSA-N 0 0 457.317 4.956 20 0 JJADRN CC(=O)N(c1nc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)cs1)c1ccc(C)cc1 ZINC001459766686 1067413919 /nfs/dbraw/zinc/41/39/19/1067413919.db2.gz KUABKQNALYUUMD-NHCUHLMSSA-N 0 0 457.621 4.522 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)Cc2c(Cl)cccc2Br)sc1C ZINC001459766240 1067413924 /nfs/dbraw/zinc/41/39/24/1067413924.db2.gz QEIQONNFTRYNGE-CQSZACIVSA-N 0 0 457.777 4.560 20 0 JJADRN COc1ccc([C@H](CC(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)NC(C)=O)cc1 ZINC001459766530 1067414007 /nfs/dbraw/zinc/41/40/07/1067414007.db2.gz RWZMRKISXUZYCJ-NRFANRHFSA-N 0 0 453.926 4.625 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1C(F)F ZINC001459767427 1067414441 /nfs/dbraw/zinc/41/44/41/1067414441.db2.gz WJUDDHGJAFTXHN-UHFFFAOYSA-N 0 0 455.431 4.995 20 0 JJADRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC001459766939 1067414492 /nfs/dbraw/zinc/41/44/92/1067414492.db2.gz MIEUFCXDHLKHCX-VJBWXMMDSA-N 0 0 456.652 4.534 20 0 JJADRN O=C(OCc1ccc(OC(F)(F)F)cc1Cl)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001459772403 1067415981 /nfs/dbraw/zinc/41/59/81/1067415981.db2.gz BLHIQQSIPWXGHE-UHFFFAOYSA-N 0 0 458.795 4.600 20 0 JJADRN COC(=O)[C@H]1CN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c2ccccc21 ZINC001459781015 1067418288 /nfs/dbraw/zinc/41/82/88/1067418288.db2.gz ZDVBDNRUSHQZBU-INIZCTEOSA-N 0 0 454.935 4.879 20 0 JJADRN C[C@H](NC(=O)CN1CCCc2cc(Br)ccc21)c1ccc(OC(F)(F)F)cc1 ZINC001459781520 1067418755 /nfs/dbraw/zinc/41/87/55/1067418755.db2.gz BQODNJKOWVSPMF-ZDUSSCGKSA-N 0 0 457.290 4.978 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc2ccnc(Cl)c2s1 ZINC001459781975 1067418937 /nfs/dbraw/zinc/41/89/37/1067418937.db2.gz CEMGOWHTBYQFFW-UHFFFAOYSA-N 0 0 453.745 4.528 20 0 JJADRN CCc1c(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cnn1-c1ccc(Cl)cc1 ZINC001459782283 1067418966 /nfs/dbraw/zinc/41/89/66/1067418966.db2.gz DBPWOIDATNKDEY-UHFFFAOYSA-N 0 0 456.884 4.567 20 0 JJADRN O=C(c1ccnc(F)c1F)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001459782949 1067419578 /nfs/dbraw/zinc/41/95/78/1067419578.db2.gz MKCMQUKUYIGZBY-OAHLLOKOSA-N 0 0 457.340 4.539 20 0 JJADRN Cc1cccc(CCNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)n1 ZINC001459782903 1067419612 /nfs/dbraw/zinc/41/96/12/1067419612.db2.gz MOHMSWRXBSSTRM-UHFFFAOYSA-N 0 0 458.818 4.855 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@H]3CSc4ccc(Br)cc43)CC2=O)cc1 ZINC001459783138 1067419894 /nfs/dbraw/zinc/41/98/94/1067419894.db2.gz XIWCTNIYWVXMIV-BEFAXECRSA-N 0 0 459.409 4.718 20 0 JJADRN CCc1c(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001459784022 1067420584 /nfs/dbraw/zinc/42/05/84/1067420584.db2.gz UKDKNWUHLUWRQP-UHFFFAOYSA-N 0 0 457.456 4.544 20 0 JJADRN CCc1c(NC(=O)c2cccc(-c3nnc(CCOC)o3)c2)cnn1-c1ccccc1Cl ZINC001459784151 1067421024 /nfs/dbraw/zinc/42/10/24/1067421024.db2.gz WYLNITAWWQUXFW-UHFFFAOYSA-N 0 0 451.914 4.579 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCOC2(CCCCC2)C1 ZINC001459786475 1067422047 /nfs/dbraw/zinc/42/20/47/1067422047.db2.gz GSGBEDVXDUDRIV-QGZVFWFLSA-N 0 0 455.380 4.812 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC001459786417 1067422054 /nfs/dbraw/zinc/42/20/54/1067422054.db2.gz SWGLAWZJWFDSFY-XMMPIXPASA-N 0 0 455.562 4.676 20 0 JJADRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Br ZINC001459786425 1067422071 /nfs/dbraw/zinc/42/20/71/1067422071.db2.gz UCXQUQPGTGZTLU-MRXNPFEDSA-N 0 0 455.190 4.979 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCOC2(CCCCC2)C1 ZINC001459786474 1067422161 /nfs/dbraw/zinc/42/21/61/1067422161.db2.gz GSGBEDVXDUDRIV-KRWDZBQOSA-N 0 0 455.380 4.812 20 0 JJADRN O=C1[C@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788362 1067422939 /nfs/dbraw/zinc/42/29/39/1067422939.db2.gz PEGKLVWTPVYNDV-RHSMWYFYSA-N 0 0 459.484 4.811 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001459790531 1067424006 /nfs/dbraw/zinc/42/40/06/1067424006.db2.gz BNERTLPKXBVKLJ-UHFFFAOYSA-N 0 0 453.315 4.653 20 0 JJADRN CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C2 ZINC001459791235 1067424503 /nfs/dbraw/zinc/42/45/03/1067424503.db2.gz JQABFPYXIYMZNR-QFIPXVFZSA-N 0 0 455.396 4.762 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001459792971 1067425491 /nfs/dbraw/zinc/42/54/91/1067425491.db2.gz YTMQLZNUHFMHGD-OAHLLOKOSA-N 0 0 457.384 4.974 20 0 JJADRN O=C(Cc1ccccc1Cl)N1CCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001459793806 1067426039 /nfs/dbraw/zinc/42/60/39/1067426039.db2.gz XUGNBNPBAJGFRF-UHFFFAOYSA-N 0 0 452.957 4.945 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2CC[C@@H]3[C@H](C2)C3(F)F)sc(Cl)c1-c1ccccc1 ZINC001459794006 1067426064 /nfs/dbraw/zinc/42/60/64/1067426064.db2.gz CMPDRCFGLCYYNP-KGLIPLIRSA-N 0 0 454.926 4.771 20 0 JJADRN COc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c(Br)c1 ZINC001459794679 1067426705 /nfs/dbraw/zinc/42/67/05/1067426705.db2.gz CNJIAPLLANVWON-UHFFFAOYSA-N 0 0 454.206 4.538 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459795227 1067427046 /nfs/dbraw/zinc/42/70/46/1067427046.db2.gz RWYCVUSPOZRHDX-GOSISDBHSA-N 0 0 457.452 4.917 20 0 JJADRN CC(C)CNC(=O)c1ccccc1NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001459795520 1067427509 /nfs/dbraw/zinc/42/75/09/1067427509.db2.gz GQAFXVMVKROPCQ-UHFFFAOYSA-N 0 0 456.590 4.738 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC001459798420 1067428648 /nfs/dbraw/zinc/42/86/48/1067428648.db2.gz PDITZAOMQZEGEE-UHFFFAOYSA-N 0 0 456.546 4.560 20 0 JJADRN C[C@@H](O)[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799552 1067429198 /nfs/dbraw/zinc/42/91/98/1067429198.db2.gz UAYWYJHQSWTVEU-WIYYLYMNSA-N 0 0 453.583 4.575 20 0 JJADRN CCOC(=O)CN(CCC(=O)Nc1cccc(F)c1)[C@@H](C)c1cccc(Br)c1 ZINC001459800798 1067429558 /nfs/dbraw/zinc/42/95/58/1067429558.db2.gz DLCGNZRKDDSDFG-HNNXBMFYSA-N 0 0 451.336 4.543 20 0 JJADRN CCOC(=O)CN(Cc1ccncc1Br)[C@H](C)c1cccc(Br)c1 ZINC001459801357 1067429645 /nfs/dbraw/zinc/42/96/45/1067429645.db2.gz JLYRKEQPXMOJLH-CYBMUJFWSA-N 0 0 456.178 4.733 20 0 JJADRN CCn1ncc(C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)c1Br ZINC001459801559 1067430224 /nfs/dbraw/zinc/43/02/24/1067430224.db2.gz ALOWPHGSHLMTCG-UHFFFAOYSA-N 0 0 458.541 4.882 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)/C=C/c3cccc(OC4CCCC4)c3)c2)n1 ZINC001459802671 1067430315 /nfs/dbraw/zinc/43/03/15/1067430315.db2.gz SVMHJGIZKZBPAX-BUHFOSPRSA-N 0 0 459.546 4.700 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001459804958 1067430593 /nfs/dbraw/zinc/43/05/93/1067430593.db2.gz LZMKADWZWVWLDJ-NWSQWKLXSA-N 0 0 456.558 4.723 20 0 JJADRN CCn1ncc(Br)c1C(=O)Nc1ccnc2c(Cl)cc(Br)cc12 ZINC001459805516 1067431218 /nfs/dbraw/zinc/43/12/18/1067431218.db2.gz ZBKDXCLYSRHHDI-UHFFFAOYSA-N 0 0 458.541 4.882 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001459804968 1067431274 /nfs/dbraw/zinc/43/12/74/1067431274.db2.gz LZMKADWZWVWLDJ-WPYKKVEZSA-N 0 0 456.558 4.723 20 0 JJADRN CCOC(=O)CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@@H](C)c1cccc(Br)c1 ZINC001459806042 1067431516 /nfs/dbraw/zinc/43/15/16/1067431516.db2.gz SKSFDJVXVBMDBK-ZDUSSCGKSA-N 0 0 456.283 4.897 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cs1 ZINC001459809326 1067432735 /nfs/dbraw/zinc/43/27/35/1067432735.db2.gz KAYBZCSFDDTNDL-MRXNPFEDSA-N 0 0 455.605 4.791 20 0 JJADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1 ZINC001459810774 1067433260 /nfs/dbraw/zinc/43/32/60/1067433260.db2.gz JLXOPYAHMCUZRH-UHFFFAOYSA-N 0 0 454.773 4.588 20 0 JJADRN C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC001459817497 1067436500 /nfs/dbraw/zinc/43/65/00/1067436500.db2.gz LNPSJBOQRRHLOE-HZPDHXFCSA-N 0 0 458.965 4.826 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817428 1067436529 /nfs/dbraw/zinc/43/65/29/1067436529.db2.gz CSMQMUWNBXRBHM-UWJYYQICSA-N 0 0 451.508 4.840 20 0 JJADRN C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001459818074 1067437166 /nfs/dbraw/zinc/43/71/66/1067437166.db2.gz DMKJFYFKBAKMBB-SWLSCSKDSA-N 0 0 452.420 4.655 20 0 JJADRN O=S(=O)(NC1CCCC1)[C@H]1CCCN([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819579 1067437772 /nfs/dbraw/zinc/43/77/72/1067437772.db2.gz OBTRZXMOINBCIW-XZOQPEGZSA-N 0 0 451.007 4.895 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1(C)C ZINC001459823086 1067439698 /nfs/dbraw/zinc/43/96/98/1067439698.db2.gz UJLVOSROISRMTG-MRXNPFEDSA-N 0 0 456.384 4.602 20 0 JJADRN Cc1cc(NC(=O)CN2CCc3cc(Br)cc(F)c3C2)ccc1Br ZINC001459824962 1067440745 /nfs/dbraw/zinc/44/07/45/1067440745.db2.gz JCYKYDYHEJCKBZ-UHFFFAOYSA-N 0 0 456.153 4.656 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001546112112 1067441667 /nfs/dbraw/zinc/44/16/67/1067441667.db2.gz CZXHJYWKJBQACD-PZJWPPBQSA-N 0 0 474.671 4.647 20 0 JJADRN COc1cc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc(OC)c1OC ZINC001459832902 1067444849 /nfs/dbraw/zinc/44/48/49/1067444849.db2.gz KXGZHFPCPPCUBG-UHFFFAOYSA-N 0 0 451.907 4.595 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(c3ccc(F)cn3)CC2)cc1 ZINC001459834149 1067445352 /nfs/dbraw/zinc/44/53/52/1067445352.db2.gz KVHKGQUMAPKLLJ-UHFFFAOYSA-N 0 0 454.933 4.736 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001459834378 1067445396 /nfs/dbraw/zinc/44/53/96/1067445396.db2.gz RVUYLOPQCYEJSX-BLLLJJGKSA-N 0 0 457.130 4.758 20 0 JJADRN CC(=O)N(c1nc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1)C1CC1 ZINC001459834496 1067445432 /nfs/dbraw/zinc/44/54/32/1067445432.db2.gz GBEZLFZDBZOOCR-OAHLLOKOSA-N 0 0 452.555 4.901 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CSc2ccccc2Br)n1 ZINC001459835506 1067445802 /nfs/dbraw/zinc/44/58/02/1067445802.db2.gz NOAUCRZOHULQBK-AWEZNQCLSA-N 0 0 455.399 4.538 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)c1 ZINC001459835523 1067445852 /nfs/dbraw/zinc/44/58/52/1067445852.db2.gz XPFNQZAOTNVYNN-UHFFFAOYSA-N 0 0 455.313 4.641 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)CSc2nncs2)cc1 ZINC001459835406 1067445964 /nfs/dbraw/zinc/44/59/64/1067445964.db2.gz ZBYQMHBMSAJNLW-UHFFFAOYSA-N 0 0 454.396 4.632 20 0 JJADRN Cc1cccnc1/C=C/C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001459835561 1067446429 /nfs/dbraw/zinc/44/64/29/1067446429.db2.gz WURXNQWPMPSZEW-CMDGGOBGSA-N 0 0 453.340 4.622 20 0 JJADRN CCC(=O)c1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)CC)ccc2Br)c1 ZINC001459835628 1067446448 /nfs/dbraw/zinc/44/64/48/1067446448.db2.gz OGSZTIXRASUMTF-UHFFFAOYSA-N 0 0 458.761 4.741 20 0 JJADRN CCn1c(CNC(=O)c2cc(C(C)C)nc3onc(C)c32)nc2cc(Br)ccc21 ZINC001459839264 1067447523 /nfs/dbraw/zinc/44/75/23/1067447523.db2.gz HFZPLKIFTXNPCB-UHFFFAOYSA-N 0 0 456.344 4.717 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001546112184 1067448619 /nfs/dbraw/zinc/44/86/19/1067448619.db2.gz HAYOPNIZCGVNQV-UHFFFAOYSA-N 0 0 469.630 4.660 20 0 JJADRN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001459843654 1067450083 /nfs/dbraw/zinc/45/00/83/1067450083.db2.gz MTPCZSVONIBZDV-GOSISDBHSA-N 0 0 456.505 4.643 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC001459845110 1067451079 /nfs/dbraw/zinc/45/10/79/1067451079.db2.gz YYHQYPBVHGTHIW-FQEVSTJZSA-N 0 0 458.961 4.539 20 0 JJADRN CCN(CC(N)=O)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1Cl ZINC001459844942 1067451149 /nfs/dbraw/zinc/45/11/49/1067451149.db2.gz VYTUDRPNBJJABR-FYWRMAATSA-N 0 0 451.929 4.852 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC001459844969 1067451159 /nfs/dbraw/zinc/45/11/59/1067451159.db2.gz WXTVTXIRUNFHTK-CQSZACIVSA-N 0 0 454.311 4.702 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC001459846285 1067452076 /nfs/dbraw/zinc/45/20/76/1067452076.db2.gz WDAFFWSIOQQOEA-QFIPXVFZSA-N 0 0 451.592 4.759 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@H](C)N3CC=C(c4ccc(Cl)nc4)CC3)n2)cc1 ZINC001459847865 1067453048 /nfs/dbraw/zinc/45/30/48/1067453048.db2.gz DKPJWUOTSLZLAO-HNNXBMFYSA-N 0 0 454.983 4.983 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)C1 ZINC001546112255 1067453170 /nfs/dbraw/zinc/45/31/70/1067453170.db2.gz KFFHCFBKTNXGRT-UHFFFAOYSA-N 0 0 460.022 4.573 20 0 JJADRN COc1cc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)cnc1Br ZINC001459849808 1067455179 /nfs/dbraw/zinc/45/51/79/1067455179.db2.gz LADNFDCSRHAKIT-UHFFFAOYSA-N 0 0 454.162 4.668 20 0 JJADRN COc1ccc(CN[C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1Cl ZINC001459850405 1067455600 /nfs/dbraw/zinc/45/56/00/1067455600.db2.gz JTGCULXUSPFDKS-QFIPXVFZSA-N 0 0 459.011 4.775 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001459850409 1067455710 /nfs/dbraw/zinc/45/57/10/1067455710.db2.gz OYUJCBLLSMPGKJ-UHFFFAOYSA-N 0 0 454.720 4.967 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)C2CC2)C1 ZINC001546112268 1067456232 /nfs/dbraw/zinc/45/62/32/1067456232.db2.gz KLBIXOXMMYXFAT-UHFFFAOYSA-N 0 0 480.440 4.707 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC001459851330 1067456768 /nfs/dbraw/zinc/45/67/68/1067456768.db2.gz QWNMYIOEUWRWKT-UHFFFAOYSA-N 0 0 454.741 4.556 20 0 JJADRN CON(C)C(=O)c1cc(F)ccc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC001459853634 1067457796 /nfs/dbraw/zinc/45/77/96/1067457796.db2.gz AQJKKHLMQVMGDC-UHFFFAOYSA-N 0 0 452.269 4.982 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)n2)CCCCCC1 ZINC001459852938 1067457807 /nfs/dbraw/zinc/45/78/07/1067457807.db2.gz AWBIJVCLFHKHJF-VXKWHMMOSA-N 0 0 452.599 4.530 20 0 JJADRN O=C(CN1CCC2(CC1)OCCc1ccsc12)Nc1ccc(Br)cc1Cl ZINC001459854174 1067458320 /nfs/dbraw/zinc/45/83/20/1067458320.db2.gz GJCSTNKFYBJZAA-UHFFFAOYSA-N 0 0 455.805 4.667 20 0 JJADRN C[S@](=O)C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855771 1067459255 /nfs/dbraw/zinc/45/92/55/1067459255.db2.gz ZIXUCAWPWANRKZ-JJCDCTGGSA-N 0 0 458.008 4.927 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001459857779 1067460337 /nfs/dbraw/zinc/46/03/37/1067460337.db2.gz YFNVLUWEHSCNNZ-QGZVFWFLSA-N 0 0 450.004 4.866 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2cc(C)no2)C1 ZINC001546112311 1067460401 /nfs/dbraw/zinc/46/04/01/1067460401.db2.gz MKAALYFUELBIIU-UHFFFAOYSA-N 0 0 474.403 4.981 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2=O)ccc1Br ZINC001459859141 1067460803 /nfs/dbraw/zinc/46/08/03/1067460803.db2.gz SFHIVQLXMIEEMC-VAMGGRTRSA-N 0 0 455.396 4.953 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC001459859661 1067460838 /nfs/dbraw/zinc/46/08/38/1067460838.db2.gz UOFFPJYAXMRCLT-MZNJEOGPSA-N 0 0 457.530 4.797 20 0 JJADRN COc1cc(F)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860497 1067461330 /nfs/dbraw/zinc/46/13/30/1067461330.db2.gz XYDJFORYSDEKIY-SJORKVTESA-N 0 0 450.510 4.752 20 0 JJADRN Cc1cc([C@H](OC(=O)[C@@H](C)N2Cc3ccccc3C2=O)C(F)(F)F)ccc1Br ZINC001459861553 1067461950 /nfs/dbraw/zinc/46/19/50/1067461950.db2.gz BMFNLFHVSALWAJ-PXAZEXFGSA-N 0 0 456.258 4.949 20 0 JJADRN COc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(Br)c1 ZINC001459862902 1067462430 /nfs/dbraw/zinc/46/24/30/1067462430.db2.gz NRLVLNZEHWRZCW-KPZWWZAWSA-N 0 0 457.290 4.933 20 0 JJADRN Cc1cc([C@H](OC(=O)CCNC(=O)c2cccs2)C(F)(F)F)ccc1Br ZINC001459864182 1067463024 /nfs/dbraw/zinc/46/30/24/1067463024.db2.gz NHXWFHHDGPNQHL-HNNXBMFYSA-N 0 0 450.276 4.786 20 0 JJADRN CC(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC001459869213 1067466366 /nfs/dbraw/zinc/46/63/66/1067466366.db2.gz JEORDBYMKIFBAO-IBGZPJMESA-N 0 0 451.792 4.778 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)C1 ZINC001546112386 1067467326 /nfs/dbraw/zinc/46/73/26/1067467326.db2.gz PJQBESJPIUNBNC-DHIUTWEWSA-N 0 0 497.684 4.739 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001459872432 1067467716 /nfs/dbraw/zinc/46/77/16/1067467716.db2.gz BIAIQZDBIPABSS-CBGDNZLLSA-N 0 0 457.546 4.564 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2cc(C)cc(C)c2)C1 ZINC001546112398 1067468375 /nfs/dbraw/zinc/46/83/75/1067468375.db2.gz PTQRSURQAJNPLW-UHFFFAOYSA-N 0 0 481.666 4.982 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001459873576 1067468383 /nfs/dbraw/zinc/46/83/83/1067468383.db2.gz WFDKJULKNNWTGH-RDJZCZTQSA-N 0 0 450.004 4.838 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1Cl ZINC001459875479 1067468912 /nfs/dbraw/zinc/46/89/12/1067468912.db2.gz KXYMTPVHPBLQSU-UHFFFAOYSA-N 0 0 450.970 4.972 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC001459876682 1067469889 /nfs/dbraw/zinc/46/98/89/1067469889.db2.gz LVCRMOXCIVMVAP-SPYBWZPUSA-N 0 0 454.995 4.901 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC(F)(F)Br)c1 ZINC001459880725 1067471261 /nfs/dbraw/zinc/47/12/61/1067471261.db2.gz NPARRPLCUPHWIO-UHFFFAOYSA-N 0 0 450.283 4.574 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)cs1)C1CC1 ZINC001459880717 1067471323 /nfs/dbraw/zinc/47/13/23/1067471323.db2.gz IZVWZAWXRNIHOS-INIZCTEOSA-N 0 0 456.612 4.804 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC001459881588 1067471738 /nfs/dbraw/zinc/47/17/38/1067471738.db2.gz CLGVXBBCYAOXCW-HXUWFJFHSA-N 0 0 455.942 4.971 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459885014 1067472691 /nfs/dbraw/zinc/47/26/91/1067472691.db2.gz VATJCTXLEGCOGP-OAQYLSRUSA-N 0 0 450.482 4.791 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC001459888570 1067474230 /nfs/dbraw/zinc/47/42/30/1067474230.db2.gz JWTKPGGXEINWEO-NRFANRHFSA-N 0 0 459.516 4.834 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(F)cc2Cl)C1=O ZINC001459889701 1067474727 /nfs/dbraw/zinc/47/47/27/1067474727.db2.gz WSUQTYAXGXVZCD-KRWDZBQOSA-N 0 0 453.739 4.784 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001459890893 1067475238 /nfs/dbraw/zinc/47/52/38/1067475238.db2.gz PDZVPMNCULFKLX-UHFFFAOYSA-N 0 0 453.674 4.702 20 0 JJADRN CC[C@@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891241 1067475242 /nfs/dbraw/zinc/47/52/42/1067475242.db2.gz MOMRCJCLGFGAMX-SQHAQQRYSA-N 0 0 456.590 4.903 20 0 JJADRN CCOC(=O)CN(CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC001459891620 1067475701 /nfs/dbraw/zinc/47/57/01/1067475701.db2.gz OAEQSYRZPRXAJF-BWKNWUBXSA-N 0 0 452.595 4.765 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)CC2c3ccccc3Oc3ccccc32)s1 ZINC001459892817 1067476248 /nfs/dbraw/zinc/47/62/48/1067476248.db2.gz BJJCCXFALBCSMQ-GJZGRUSLSA-N 0 0 450.564 4.508 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1 ZINC001459892073 1067476336 /nfs/dbraw/zinc/47/63/36/1067476336.db2.gz AEGYTFCTCJXQIT-UHFFFAOYSA-N 0 0 455.299 4.603 20 0 JJADRN Cc1cc2cc(C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)oc2c(Br)c1 ZINC001459895853 1067477664 /nfs/dbraw/zinc/47/76/64/1067477664.db2.gz SYAGEPYUVRXXOI-UHFFFAOYSA-N 0 0 451.267 4.871 20 0 JJADRN C[C@@H](NC(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896170 1067477767 /nfs/dbraw/zinc/47/77/67/1067477767.db2.gz KVHSMEYJKKKODI-GFCCVEGCSA-N 0 0 450.193 4.972 20 0 JJADRN Cc1cc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)nn1-c1ccc(Br)cc1 ZINC001459896449 1067478332 /nfs/dbraw/zinc/47/83/32/1067478332.db2.gz WWLQAUDCHFRJKG-UHFFFAOYSA-N 0 0 452.308 4.635 20 0 JJADRN Cc1cc(I)cc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC001459900142 1067479710 /nfs/dbraw/zinc/47/97/10/1067479710.db2.gz HSCRHVVOUYMKAT-UHFFFAOYSA-N 0 0 453.295 4.717 20 0 JJADRN CCCCCCN(c1ccc(Br)cc1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001459900925 1067480363 /nfs/dbraw/zinc/48/03/63/1067480363.db2.gz MKTDONWKQVUTPK-IBGZPJMESA-N 0 0 453.421 4.778 20 0 JJADRN COc1cc2nc(CN[C@H](C)c3sc(-c4ccc(F)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459901227 1067480433 /nfs/dbraw/zinc/48/04/33/1067480433.db2.gz FTAYDFFJSGVQTP-GFCCVEGCSA-N 0 0 454.527 4.774 20 0 JJADRN COc1cc2nc(CN[C@H](C)c3sc(-c4ccc(C)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459905842 1067483026 /nfs/dbraw/zinc/48/30/26/1067483026.db2.gz RQUGVZAAAQAFOY-CQSZACIVSA-N 0 0 450.564 4.944 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001459907810 1067484014 /nfs/dbraw/zinc/48/40/14/1067484014.db2.gz CXTDHTTWBFRYIB-LEWJYISDSA-N 0 0 454.567 4.721 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(S(C)(=O)=O)o1 ZINC001459907942 1067484121 /nfs/dbraw/zinc/48/41/21/1067484121.db2.gz FJXVJYYPNWXTPP-NSHDSACASA-N 0 0 455.399 4.728 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(Cl)ccc1OC1CCCC1 ZINC001459908332 1067484129 /nfs/dbraw/zinc/48/41/29/1067484129.db2.gz JMUUFMFVNITYOX-UHFFFAOYSA-N 0 0 450.366 4.678 20 0 JJADRN O=C(CN1CCc2c1cccc2-c1ccccc1)Nc1ccc(I)cc1 ZINC001459908128 1067484139 /nfs/dbraw/zinc/48/41/39/1067484139.db2.gz UPPRZCQZWGRCHN-UHFFFAOYSA-N 0 0 454.311 4.959 20 0 JJADRN Cc1ccccc1C(NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F)c1ccccc1C ZINC001459910054 1067485148 /nfs/dbraw/zinc/48/51/48/1067485148.db2.gz UHGPLIGDIJZUIS-UHFFFAOYSA-N 0 0 458.530 4.617 20 0 JJADRN C[C@@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459910725 1067485786 /nfs/dbraw/zinc/48/57/86/1067485786.db2.gz NTKQVWRGXGIENL-UONOGXRCSA-N 0 0 455.385 4.960 20 0 JJADRN COC(=O)[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1 ZINC001459910392 1067485834 /nfs/dbraw/zinc/48/58/34/1067485834.db2.gz JDPORMANSXIUDP-ZBEGNZNMSA-N 0 0 450.720 4.717 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001459911230 1067486233 /nfs/dbraw/zinc/48/62/33/1067486233.db2.gz MCRLKHNHKOEMIE-VGSWGCGISA-N 0 0 452.530 4.597 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1Cc2ccc(Br)cc2C1 ZINC001459911042 1067486270 /nfs/dbraw/zinc/48/62/70/1067486270.db2.gz ZTEJMSANZQWHRV-LBPRGKRZSA-N 0 0 451.386 4.593 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2cc(Br)cn3ccnc23)ccc1Cl ZINC001459911152 1067486355 /nfs/dbraw/zinc/48/63/55/1067486355.db2.gz YVDLRFOFHRBNKB-UHFFFAOYSA-N 0 0 453.749 4.776 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)C1 ZINC001459912689 1067487355 /nfs/dbraw/zinc/48/73/55/1067487355.db2.gz RSXHAAIZGBTZLD-QGZVFWFLSA-N 0 0 459.468 4.892 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)c3nnn(-c4ccccc4Br)c3C)C2)cc1 ZINC001459913167 1067487906 /nfs/dbraw/zinc/48/79/06/1067487906.db2.gz OTXPZYBJWBMXEU-IBGZPJMESA-N 0 0 453.384 4.920 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001459916451 1067489427 /nfs/dbraw/zinc/48/94/27/1067489427.db2.gz DAGSGBRDWZDHTH-NQIIRXRSSA-N 0 0 459.587 4.897 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC001459917686 1067490009 /nfs/dbraw/zinc/49/00/09/1067490009.db2.gz FQXYSQIVRBSQSN-HLAWJBBLSA-N 0 0 450.526 4.641 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459918786 1067490842 /nfs/dbraw/zinc/49/08/42/1067490842.db2.gz JNAFJLJHLLIDFE-QCADSSPNSA-N 0 0 453.377 4.695 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459918792 1067490873 /nfs/dbraw/zinc/49/08/73/1067490873.db2.gz JNAFJLJHLLIDFE-SNZVKZEVSA-N 0 0 453.377 4.695 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459920314 1067491292 /nfs/dbraw/zinc/49/12/92/1067491292.db2.gz LNGSYXNDYJJHBZ-KZNAEPCWSA-N 0 0 456.505 4.722 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC001459921334 1067492254 /nfs/dbraw/zinc/49/22/54/1067492254.db2.gz NWCWZOQORRQOLV-OXQOHEQNSA-N 0 0 450.398 4.613 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)CCCn1c(=O)oc2ccccc21 ZINC001459922186 1067492766 /nfs/dbraw/zinc/49/27/66/1067492766.db2.gz UYRBTLGXZCNYFV-UHFFFAOYSA-N 0 0 450.516 4.837 20 0 JJADRN O=C(CN1CCC(Oc2cccc(Br)c2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC001459923687 1067493288 /nfs/dbraw/zinc/49/32/88/1067493288.db2.gz MTDIFDMNWGXGBJ-UHFFFAOYSA-N 0 0 457.290 4.950 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC001459924017 1067493368 /nfs/dbraw/zinc/49/33/68/1067493368.db2.gz KVPORJGPOJRYAS-IATMXGELSA-N 0 0 463.578 4.666 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001459925032 1067493844 /nfs/dbraw/zinc/49/38/44/1067493844.db2.gz ODFBFEDUYGVXAA-HRAATJIYSA-N 0 0 450.501 4.761 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001459925049 1067493876 /nfs/dbraw/zinc/49/38/76/1067493876.db2.gz ODFBFEDUYGVXAA-KKSFZXQISA-N 0 0 450.501 4.761 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459925088 1067494426 /nfs/dbraw/zinc/49/44/26/1067494426.db2.gz VEIKURXQYVPFSQ-YZGWKJHDSA-N 0 0 455.603 4.574 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)c1cccc(Br)c1 ZINC001459926582 1067494817 /nfs/dbraw/zinc/49/48/17/1067494817.db2.gz YHKMILXYAQIIOG-PXNSSMCTSA-N 0 0 451.405 4.802 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1)c1cccc(Br)c1 ZINC001459926579 1067494919 /nfs/dbraw/zinc/49/49/19/1067494919.db2.gz YHKMILXYAQIIOG-FXAWDEMLSA-N 0 0 451.405 4.802 20 0 JJADRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001459926022 1067494937 /nfs/dbraw/zinc/49/49/37/1067494937.db2.gz WHBSZZPRSAZDER-CQSZACIVSA-N 0 0 456.395 4.739 20 0 JJADRN Nc1nc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926018 1067494945 /nfs/dbraw/zinc/49/49/45/1067494945.db2.gz BSJKEHUSBFXOAH-JOCHJYFZSA-N 0 0 452.480 4.967 20 0 JJADRN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930399 1067495973 /nfs/dbraw/zinc/49/59/73/1067495973.db2.gz YRTBKBUZHJMPKW-LPHOPBHVSA-N 0 0 452.580 4.780 20 0 JJADRN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930403 1067496067 /nfs/dbraw/zinc/49/60/67/1067496067.db2.gz YRTBKBUZHJMPKW-QFBILLFUSA-N 0 0 452.580 4.780 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC001459931836 1067496338 /nfs/dbraw/zinc/49/63/38/1067496338.db2.gz LDKBSFGXTORUEB-QFIPXVFZSA-N 0 0 452.549 4.802 20 0 JJADRN COc1ccccc1-c1nc(C2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)no1 ZINC001459931331 1067496432 /nfs/dbraw/zinc/49/64/32/1067496432.db2.gz MQKWBSSWSGQYGU-INIZCTEOSA-N 0 0 454.958 4.914 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932370 1067496903 /nfs/dbraw/zinc/49/69/03/1067496903.db2.gz OGZSYKBZPKJCHK-DHIUTWEWSA-N 0 0 459.512 4.674 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001459932534 1067496919 /nfs/dbraw/zinc/49/69/19/1067496919.db2.gz KPIAFAWXMPCOQA-IBGZPJMESA-N 0 0 457.983 4.712 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC001459931959 1067496965 /nfs/dbraw/zinc/49/69/65/1067496965.db2.gz IYHKKSPHCPHEJZ-SCLBCKFNSA-N 0 0 457.518 4.563 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccnc(OC(F)F)c1 ZINC001459936283 1067499042 /nfs/dbraw/zinc/49/90/42/1067499042.db2.gz OGCRTSKJHHYZJZ-GFCCVEGCSA-N 0 0 453.898 4.930 20 0 JJADRN CC(C)OC(=O)C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC001459937710 1067499563 /nfs/dbraw/zinc/49/95/63/1067499563.db2.gz RSJQKGYAOQCCPR-NRFANRHFSA-N 0 0 452.551 4.729 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N([C@@H](C)c3ccccc3)C3CC3)CC2)cc1 ZINC001459937666 1067499664 /nfs/dbraw/zinc/49/96/64/1067499664.db2.gz UBPYDFQXYMXIBJ-FQEVSTJZSA-N 0 0 454.636 4.963 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC001459938530 1067499675 /nfs/dbraw/zinc/49/96/75/1067499675.db2.gz XWPVYLDCGIRULU-MRXNPFEDSA-N 0 0 450.398 4.755 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCc3cccc(OCc4ccccc4)c3)CCC(=O)N2C)cc1 ZINC001459939100 1067499687 /nfs/dbraw/zinc/49/96/87/1067499687.db2.gz CSUYYNXXWWESKX-BDYUSTAISA-N 0 0 458.558 4.500 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc4cc(OC)ccc4c3)cc2)cc1 ZINC001459941834 1067500534 /nfs/dbraw/zinc/50/05/34/1067500534.db2.gz JGQNZKCWMQOQHU-UHFFFAOYSA-N 0 0 454.526 4.968 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC001459944354 1067501451 /nfs/dbraw/zinc/50/14/51/1067501451.db2.gz ZEGNNJKHUPKGJF-WDSOQIARSA-N 0 0 454.489 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944056 1067501588 /nfs/dbraw/zinc/50/15/88/1067501588.db2.gz PIXRTKIWIUOLIC-SHQCIBLASA-N 0 0 455.643 4.900 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3C[C@H](C(F)(F)F)OC[C@@H]3C)cc12 ZINC001459945072 1067501820 /nfs/dbraw/zinc/50/18/20/1067501820.db2.gz FMEBOTFDUVFCRL-APPDUMDISA-N 0 0 457.905 4.900 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2cccc(I)c2)C(C)(C)C)c1 ZINC001459946480 1067502232 /nfs/dbraw/zinc/50/22/32/1067502232.db2.gz TWONBWFBRWOATD-UHFFFAOYSA-N 0 0 453.320 4.749 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)CC(C)(C)NC(=O)OCc3ccccc3)cc2)n1 ZINC001459945744 1067502318 /nfs/dbraw/zinc/50/23/18/1067502318.db2.gz PWDSHPJVBUFSSH-UHFFFAOYSA-N 0 0 450.539 4.817 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948609 1067503350 /nfs/dbraw/zinc/50/33/50/1067503350.db2.gz BSYVGLYJLHCGNW-QWHCGFSZSA-N 0 0 459.395 4.876 20 0 JJADRN O=C(CN1CCC(Oc2ccc(F)nc2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459951609 1067504719 /nfs/dbraw/zinc/50/47/19/1067504719.db2.gz GPVZAAGTGUUYCC-VWLOTQADSA-N 0 0 453.945 4.623 20 0 JJADRN CC(C)[C@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCN1C(=O)OC(C)(C)C ZINC001459954751 1067505789 /nfs/dbraw/zinc/50/57/89/1067505789.db2.gz NZOIKZYKESQCJM-LJQANCHMSA-N 0 0 454.402 4.651 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC001459958646 1067507180 /nfs/dbraw/zinc/50/71/80/1067507180.db2.gz XNUHBAGROUKQAZ-UHFFFAOYSA-N 0 0 450.377 4.983 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1 ZINC001459959636 1067508109 /nfs/dbraw/zinc/50/81/09/1067508109.db2.gz NALNKWUTEHBSLZ-KGLIPLIRSA-N 0 0 456.427 4.601 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC001459962152 1067508868 /nfs/dbraw/zinc/50/88/68/1067508868.db2.gz QXIGHAZHZBPFGN-NKAIQICCSA-N 0 0 452.576 4.708 20 0 JJADRN C[C@@H]1CN(CCCOc2ccc(S(C)(=O)=O)cc2)c2ccccc2N1Cc1ccccc1 ZINC001459962119 1067508908 /nfs/dbraw/zinc/50/89/08/1067508908.db2.gz CTCPATLLMQORMR-OAQYLSRUSA-N 0 0 450.604 4.774 20 0 JJADRN CC(=O)N(c1nc(CN2CCOC[C@@H]2CC(=O)c2ccco2)cs1)c1ccc(Cl)cc1 ZINC001459965322 1067509927 /nfs/dbraw/zinc/50/99/27/1067509927.db2.gz ICYXPWWQEDTOEY-IBGZPJMESA-N 0 0 459.955 4.548 20 0 JJADRN COCCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc1OC ZINC001459967418 1067510355 /nfs/dbraw/zinc/51/03/55/1067510355.db2.gz LWLYQNRVQJFIGT-UHFFFAOYSA-N 0 0 452.473 4.982 20 0 JJADRN Cc1cccc(C)c1OCCCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC001459968396 1067510376 /nfs/dbraw/zinc/51/03/76/1067510376.db2.gz WKNIYLPFRIITKP-UHFFFAOYSA-N 0 0 451.394 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3cc(C(N)=O)c(Cl)cc3Cl)cc2C1 ZINC001459971940 1067511032 /nfs/dbraw/zinc/51/10/32/1067511032.db2.gz HATSHQBQWZPQGI-UHFFFAOYSA-N 0 0 450.322 4.595 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCCn2ccc3cc(Cl)ccc32)cc1 ZINC001459972416 1067511187 /nfs/dbraw/zinc/51/11/87/1067511187.db2.gz MNZMLISMXGCNKO-UHFFFAOYSA-N 0 0 457.759 4.981 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c2ccccc21 ZINC001459973522 1067511441 /nfs/dbraw/zinc/51/14/41/1067511441.db2.gz HJKXMXMZCAFBEB-AUUYWEPGSA-N 0 0 450.753 4.846 20 0 JJADRN COc1ccc(N=c2scc(CN3C[C@H](O)CC(F)(F)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459975352 1067512141 /nfs/dbraw/zinc/51/21/41/1067512141.db2.gz YMAIJRCDYSHCNW-LAUBAEHRSA-N 0 0 459.562 4.602 20 0 JJADRN Cc1ccc(F)c(OCC(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)c1 ZINC001459975705 1067512460 /nfs/dbraw/zinc/51/24/60/1067512460.db2.gz SSASOTIELGBTTO-UHFFFAOYSA-N 0 0 452.711 4.885 20 0 JJADRN COc1ncc(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cc1Cl ZINC001459976249 1067512655 /nfs/dbraw/zinc/51/26/55/1067512655.db2.gz YFLQUZIGBUOVOZ-UHFFFAOYSA-N 0 0 456.127 4.730 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459978155 1067513459 /nfs/dbraw/zinc/51/34/59/1067513459.db2.gz VUJAGYZVWKIDDK-HNNXBMFYSA-N 0 0 458.743 4.638 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459978158 1067513630 /nfs/dbraw/zinc/51/36/30/1067513630.db2.gz VUJAGYZVWKIDDK-OAHLLOKOSA-N 0 0 458.743 4.638 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)Nc1ccc2nccnc2c1Br ZINC001459979897 1067514355 /nfs/dbraw/zinc/51/43/55/1067514355.db2.gz ISKRZFFJTYVXFE-UHFFFAOYSA-N 0 0 455.537 4.989 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(I)c(Cl)c1 ZINC001459983386 1067515089 /nfs/dbraw/zinc/51/50/89/1067515089.db2.gz CYXUHEJDWOHRPI-SFHVURJKSA-N 0 0 457.739 4.551 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC2 ZINC001459983060 1067515232 /nfs/dbraw/zinc/51/52/32/1067515232.db2.gz IUFAHSQSASNHSV-UHFFFAOYSA-N 0 0 459.281 4.590 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001459983970 1067515535 /nfs/dbraw/zinc/51/55/35/1067515535.db2.gz GMJWWHPITFAHKA-IYBDPMFKSA-N 0 0 454.596 4.894 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2c(F)cccc2N2CCCC2)c2ccccc2)cc1 ZINC001459987279 1067516275 /nfs/dbraw/zinc/51/62/75/1067516275.db2.gz QFKQTOJWRTUOTP-RUZDIDTESA-N 0 0 459.565 4.912 20 0 JJADRN CCc1ccc(N2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)cc1Cl ZINC001459986619 1067516363 /nfs/dbraw/zinc/51/63/63/1067516363.db2.gz NVNAOIRXWSMKCL-UHFFFAOYSA-N 0 0 451.785 4.748 20 0 JJADRN CCOC(=O)c1cc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c(F)cc1C ZINC001459989346 1067517224 /nfs/dbraw/zinc/51/72/24/1067517224.db2.gz KAZNRFGJTJECMR-UHFFFAOYSA-N 0 0 451.494 4.950 20 0 JJADRN COCCOc1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)nc2ccccc21 ZINC001459990393 1067517501 /nfs/dbraw/zinc/51/75/01/1067517501.db2.gz CUMXJYPRCIDCPK-UHFFFAOYSA-N 0 0 453.951 4.967 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991163 1067518095 /nfs/dbraw/zinc/51/80/95/1067518095.db2.gz MPWHVEIFTNIBAW-GHTZIAJQSA-N 0 0 452.628 4.798 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459996595 1067519828 /nfs/dbraw/zinc/51/98/28/1067519828.db2.gz SINSRUSIEDMMDJ-GCJKJVERSA-N 0 0 456.505 4.623 20 0 JJADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)cc2)C1 ZINC001459998925 1067520674 /nfs/dbraw/zinc/52/06/74/1067520674.db2.gz OHCDHAZLIXXSEJ-HUVFLSCGSA-N 0 0 454.014 4.888 20 0 JJADRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001459999421 1067520955 /nfs/dbraw/zinc/52/09/55/1067520955.db2.gz VDYQILHRJYZJBR-OAQYLSRUSA-N 0 0 452.599 4.798 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC001459999738 1067521524 /nfs/dbraw/zinc/52/15/24/1067521524.db2.gz VMPYXDYYUBTSGL-OAQYLSRUSA-N 0 0 452.498 4.833 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1cc(Cl)ccn1 ZINC001460001907 1067521890 /nfs/dbraw/zinc/52/18/90/1067521890.db2.gz IZDBZOVFIZHWEN-UHFFFAOYSA-N 0 0 457.893 4.992 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460003242 1067522920 /nfs/dbraw/zinc/52/29/20/1067522920.db2.gz BRSSSQORVSCTPG-HOTGVXAUSA-N 0 0 455.571 4.886 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)OCc3cc(C(F)(F)F)cc(S(C)(=O)=O)c3)c2n1 ZINC001460005689 1067523997 /nfs/dbraw/zinc/52/39/97/1067523997.db2.gz MDBZRACVQZVADJ-UHFFFAOYSA-N 0 0 457.857 4.976 20 0 JJADRN C[C@H](Sc1ccc(Cl)cc1)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460006836 1067524409 /nfs/dbraw/zinc/52/44/09/1067524409.db2.gz MVHWPWHZLQLLEN-LBPRGKRZSA-N 0 0 452.761 4.907 20 0 JJADRN COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)ccc1C ZINC001460009032 1067525520 /nfs/dbraw/zinc/52/55/20/1067525520.db2.gz YMEJQGKAHKTOML-JOCHJYFZSA-N 0 0 454.567 4.584 20 0 JJADRN CC(=O)NCCN(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccc(C)s1 ZINC001460009311 1067525600 /nfs/dbraw/zinc/52/56/00/1067525600.db2.gz XMWCGGIIIPAIBV-UHFFFAOYSA-N 0 0 453.633 4.785 20 0 JJADRN COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)ccc1C ZINC001460009035 1067525713 /nfs/dbraw/zinc/52/57/13/1067525713.db2.gz YMEJQGKAHKTOML-QFIPXVFZSA-N 0 0 454.567 4.584 20 0 JJADRN COC(=O)c1cn(-c2cccc(NC(=O)C3(Cc4cccc(Cl)c4)CCCCC3)c2)nn1 ZINC001460009738 1067526105 /nfs/dbraw/zinc/52/61/05/1067526105.db2.gz SZQWTUZUAZJMBR-UHFFFAOYSA-N 0 0 452.942 4.839 20 0 JJADRN COCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001460011365 1067526468 /nfs/dbraw/zinc/52/64/68/1067526468.db2.gz MEPNGPUYXMOBFH-DJJJIMSYSA-N 0 0 457.304 4.519 20 0 JJADRN COCC[C@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC001460012541 1067526779 /nfs/dbraw/zinc/52/67/79/1067526779.db2.gz XCXWDLGZEYWZAI-INIZCTEOSA-N 0 0 458.411 4.871 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1CC[C@@H](OCc2ccncc2)C1 ZINC001460012049 1067526917 /nfs/dbraw/zinc/52/69/17/1067526917.db2.gz CHNRVOVLPSJCIB-QGZVFWFLSA-N 0 0 459.340 4.558 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nn1 ZINC001460013884 1067527239 /nfs/dbraw/zinc/52/72/39/1067527239.db2.gz KQFZPRYZLWLEQD-JOCHJYFZSA-N 0 0 458.484 4.746 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1c(Cl)nn(C)c1Cl)c1ccc(Cl)cc1 ZINC001460013248 1067527321 /nfs/dbraw/zinc/52/73/21/1067527321.db2.gz HAMISVFKRAYFOM-GFCCVEGCSA-N 0 0 457.711 4.736 20 0 JJADRN O=C1[C@@H](N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014037 1067527735 /nfs/dbraw/zinc/52/77/35/1067527735.db2.gz ALKXSXDDMLSLNJ-IRXDYDNUSA-N 0 0 451.247 4.580 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)N(C(=O)OCc2ccccc2)C1 ZINC001460014904 1067528317 /nfs/dbraw/zinc/52/83/17/1067528317.db2.gz MECBDHZNMGFGQU-PWWKTKHKSA-N 0 0 452.595 4.967 20 0 JJADRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015209 1067528450 /nfs/dbraw/zinc/52/84/50/1067528450.db2.gz IQVDFTVMBDHCRF-NRFANRHFSA-N 0 0 455.542 4.972 20 0 JJADRN O=C(CN1CCC(F)(c2ccccc2C(F)(F)F)CC1)NCCc1cccc2cccnc21 ZINC001460018185 1067529615 /nfs/dbraw/zinc/52/96/15/1067529615.db2.gz JECIFVQVKCOIMU-UHFFFAOYSA-N 0 0 459.487 4.873 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Oc2cnc3ccc(Cl)cc3c2)=NN1c1ccccc1 ZINC001460018666 1067529818 /nfs/dbraw/zinc/52/98/18/1067529818.db2.gz JNHJXFHBEKPPFL-OAQYLSRUSA-N 0 0 451.910 4.770 20 0 JJADRN Cc1c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nnn1-c1cccc(C)c1 ZINC001460018792 1067530203 /nfs/dbraw/zinc/53/02/03/1067530203.db2.gz WXCHYBBXKLFXSI-QFIPXVFZSA-N 0 0 458.484 4.801 20 0 JJADRN Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021864 1067531335 /nfs/dbraw/zinc/53/13/35/1067531335.db2.gz GLFSFZOHHLVXCZ-VFNWGFHPSA-N 0 0 451.355 4.920 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2Cc3cccc(Br)c3C[C@@H]2CC)s1 ZINC001460021959 1067531397 /nfs/dbraw/zinc/53/13/97/1067531397.db2.gz XVTZVOHPISYLSW-HNNXBMFYSA-N 0 0 451.434 4.809 20 0 JJADRN Cc1cc(Cl)cc(Br)c1OC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC001460022773 1067532034 /nfs/dbraw/zinc/53/20/34/1067532034.db2.gz ILYMTEUNUWKNMA-UHFFFAOYSA-N 0 0 452.153 4.834 20 0 JJADRN COc1ccc(CN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@@H](C)C2CC2)c(OC)c1 ZINC001460023887 1067532301 /nfs/dbraw/zinc/53/23/01/1067532301.db2.gz KLJARUIARWSVCF-INIZCTEOSA-N 0 0 452.580 4.608 20 0 JJADRN Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc(Br)c(F)c2)n1 ZINC001460027088 1067533246 /nfs/dbraw/zinc/53/32/46/1067533246.db2.gz GMYXUKLNHZCARK-SFHVURJKSA-N 0 0 457.351 4.745 20 0 JJADRN Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460027803 1067533259 /nfs/dbraw/zinc/53/32/59/1067533259.db2.gz SKDHNLMKJRYCID-FQEVSTJZSA-N 0 0 451.567 4.628 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC001460029188 1067533606 /nfs/dbraw/zinc/53/36/06/1067533606.db2.gz RRXSCVZYHSFXHD-HXUWFJFHSA-N 0 0 454.571 4.855 20 0 JJADRN COc1cccc(C2(NCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)CCOCC2)c1F ZINC001460031487 1067534457 /nfs/dbraw/zinc/53/44/57/1067534457.db2.gz UYWQGUCWSHIGHJ-UHFFFAOYSA-N 0 0 454.586 4.744 20 0 JJADRN Cc1cc(CNC(=O)c2nn(C(C)C)cc2Br)cc(NC(=O)OC(C)(C)C)c1 ZINC001460033894 1067535386 /nfs/dbraw/zinc/53/53/86/1067535386.db2.gz OYLLKEOPUZAGSX-UHFFFAOYSA-N 0 0 451.365 4.812 20 0 JJADRN C[C@H](NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042378 1067537156 /nfs/dbraw/zinc/53/71/56/1067537156.db2.gz ZBTRHPKKXCHAGF-HTAPYJJXSA-N 0 0 450.380 4.669 20 0 JJADRN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001460045321 1067538013 /nfs/dbraw/zinc/53/80/13/1067538013.db2.gz ZXXOZWHJCHIVRO-UNOMPAQXSA-N 0 0 451.935 4.633 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC001460048793 1067539342 /nfs/dbraw/zinc/53/93/42/1067539342.db2.gz SAPAUNVIHZHJAV-HNNXBMFYSA-N 0 0 457.625 4.612 20 0 JJADRN O=C(OCc1cnc(CCc2ccccc2)s1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001460050280 1067539365 /nfs/dbraw/zinc/53/93/65/1067539365.db2.gz BARNCSKWLHMQOM-UHFFFAOYSA-N 0 0 458.967 4.892 20 0 JJADRN Cc1cc(F)c(COC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1F ZINC001460052604 1067539608 /nfs/dbraw/zinc/53/96/08/1067539608.db2.gz DQEAJYDCUZARMC-UHFFFAOYSA-N 0 0 452.486 4.751 20 0 JJADRN Cc1ccc([C@@H](NCC(=O)NCc2ccc(COc3ccccc3)cc2)c2ccccn2)cc1 ZINC001460053239 1067539701 /nfs/dbraw/zinc/53/97/01/1067539701.db2.gz GUXZYHSQRSRZHL-GDLZYMKVSA-N 0 0 451.570 4.964 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC001460056140 1067540677 /nfs/dbraw/zinc/54/06/77/1067540677.db2.gz RAJJZUQRDUEDAP-YVHKJVDXSA-N 0 0 451.592 4.876 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](SC)C(C)(C)C)CCS1 ZINC001546113558 1067540718 /nfs/dbraw/zinc/54/07/18/1067540718.db2.gz CMTQNNHNQRTSOI-QGZVFWFLSA-N 0 0 476.716 4.815 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001460056296 1067540727 /nfs/dbraw/zinc/54/07/27/1067540727.db2.gz SBCUBTFIJBMLAM-CQSZACIVSA-N 0 0 459.344 4.910 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC001460056315 1067540740 /nfs/dbraw/zinc/54/07/40/1067540740.db2.gz SSPOVIYIRIITTK-JTSKRJEESA-N 0 0 453.535 4.892 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC001460056380 1067541128 /nfs/dbraw/zinc/54/11/28/1067541128.db2.gz UDZZBUHCMFNJAY-OXJNMPFZSA-N 0 0 451.610 4.773 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001460060206 1067542219 /nfs/dbraw/zinc/54/22/19/1067542219.db2.gz HRUGNCWRBCDACC-UHFFFAOYSA-N 0 0 456.886 4.518 20 0 JJADRN C[C@@H](OC(=O)Cc1ccccc1OC(F)F)c1ccc(F)c(I)c1 ZINC001460060932 1067542258 /nfs/dbraw/zinc/54/22/58/1067542258.db2.gz FRGVFZYYSNZOTQ-SNVBAGLBSA-N 0 0 450.194 4.879 20 0 JJADRN O=C(CN[C@@H](c1ccc(F)cc1)C(F)(F)F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460060714 1067542287 /nfs/dbraw/zinc/54/22/87/1067542287.db2.gz QSQULQMXORPXMP-IBGZPJMESA-N 0 0 451.445 4.971 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001460063151 1067542817 /nfs/dbraw/zinc/54/28/17/1067542817.db2.gz XPIFXLFLCVWFSI-AWEZNQCLSA-N 0 0 459.344 4.910 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)CCS1 ZINC001546113618 1067543240 /nfs/dbraw/zinc/54/32/40/1067543240.db2.gz FFMGSUFLZAQGDK-KRWDZBQOSA-N 0 0 492.089 4.710 20 0 JJADRN Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC001460064119 1067543658 /nfs/dbraw/zinc/54/36/58/1067543658.db2.gz XRTXCOFHUVUGII-JTQLQIEISA-N 0 0 459.346 4.730 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN3CCCC[C@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066289 1067544279 /nfs/dbraw/zinc/54/42/79/1067544279.db2.gz GHWDLMVDXJMYSL-NRFANRHFSA-N 0 0 456.587 4.893 20 0 JJADRN O=C(N1C[C@H]2CN(C(=O)C3(Cc4cccc(Cl)c4)CCCCC3)CC[C@@H]2C1)C(F)(F)F ZINC001460067075 1067544611 /nfs/dbraw/zinc/54/46/11/1067544611.db2.gz BCCUKPUMSIDQPF-QZTJIDSGSA-N 0 0 456.936 4.702 20 0 JJADRN COC(=O)[C@H](NCC(=O)N[C@H](c1ccccc1)C1CCCCC1)c1ccc(OC)c(Cl)c1 ZINC001460073596 1067546724 /nfs/dbraw/zinc/54/67/24/1067546724.db2.gz IPHRLWOLCUJUOC-DNQXCXABSA-N 0 0 458.986 4.590 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 ZINC001460075161 1067547212 /nfs/dbraw/zinc/54/72/12/1067547212.db2.gz VPXMHKGSRKACTN-OAHLLOKOSA-N 0 0 458.584 4.926 20 0 JJADRN O=C(CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460083173 1067549356 /nfs/dbraw/zinc/54/93/56/1067549356.db2.gz IXAPOJMPVRJHBJ-HTQZYQBOSA-N 0 0 454.103 4.731 20 0 JJADRN O=C(CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460083179 1067549498 /nfs/dbraw/zinc/54/94/98/1067549498.db2.gz IXAPOJMPVRJHBJ-SFYZADRCSA-N 0 0 454.103 4.731 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 ZINC001460084700 1067550161 /nfs/dbraw/zinc/55/01/61/1067550161.db2.gz PVSZWSLTIPVPAN-HNNXBMFYSA-N 0 0 453.922 4.888 20 0 JJADRN O=C(CN1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)OCc1ccccc1 ZINC001460088198 1067550609 /nfs/dbraw/zinc/55/06/09/1067550609.db2.gz GVZSCERSGGZMOL-UHFFFAOYSA-N 0 0 450.966 4.784 20 0 JJADRN CC[C@@](NCc1ccc(OC)c(OC)c1Br)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088656 1067551127 /nfs/dbraw/zinc/55/11/27/1067551127.db2.gz FOHJLZQQJJHJMC-FQEVSTJZSA-N 0 0 456.764 4.688 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H](C)c2ccccc2)CCS1 ZINC001546113806 1067552298 /nfs/dbraw/zinc/55/22/98/1067552298.db2.gz LPARPNXPSHCOKI-OAQYLSRUSA-N 0 0 485.698 4.794 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001460093289 1067552508 /nfs/dbraw/zinc/55/25/08/1067552508.db2.gz JBBXNNLPVXJWCX-CQSZACIVSA-N 0 0 453.258 4.699 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001460093280 1067552593 /nfs/dbraw/zinc/55/25/93/1067552593.db2.gz JBBXNNLPVXJWCX-AWEZNQCLSA-N 0 0 453.258 4.699 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccc3c(n2)CCCC3=O)cs1 ZINC001460094616 1067553063 /nfs/dbraw/zinc/55/30/63/1067553063.db2.gz SRBHMZCZNBVWRE-UHFFFAOYSA-N 0 0 458.337 4.748 20 0 JJADRN CC[C@](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)(C(=O)OC)c1ccccc1 ZINC001460095118 1067553162 /nfs/dbraw/zinc/55/31/62/1067553162.db2.gz ATRBIRQRHZWGEX-RUZDIDTESA-N 0 0 451.592 4.509 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1nc(C(F)(F)F)c(I)s1 ZINC001460096058 1067553471 /nfs/dbraw/zinc/55/34/71/1067553471.db2.gz CHFJZDUQJQGZBL-ZETCQYMHSA-N 0 0 458.218 4.723 20 0 JJADRN CCCOc1cccc(C(=O)Nc2nc(C(F)(F)F)c(I)s2)c1 ZINC001460096963 1067553992 /nfs/dbraw/zinc/55/39/92/1067553992.db2.gz FSPGBAHEYBDZFC-UHFFFAOYSA-N 0 0 456.227 4.808 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)c1 ZINC001460100918 1067554789 /nfs/dbraw/zinc/55/47/89/1067554789.db2.gz NBLYJWLKLTZOSB-UHFFFAOYSA-N 0 0 455.624 4.943 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1 ZINC001460101340 1067555284 /nfs/dbraw/zinc/55/52/84/1067555284.db2.gz RQYMUNLFGBJXKR-UHFFFAOYSA-N 0 0 453.402 4.639 20 0 JJADRN CC(C)OC(=O)Cc1nc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cs1 ZINC001460103227 1067555549 /nfs/dbraw/zinc/55/55/49/1067555549.db2.gz WOMONBQXSZTUGH-NRFANRHFSA-N 0 0 456.530 4.914 20 0 JJADRN CC(C)OC(=O)Cc1nc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cs1 ZINC001460103228 1067555617 /nfs/dbraw/zinc/55/56/17/1067555617.db2.gz WOMONBQXSZTUGH-OAQYLSRUSA-N 0 0 456.530 4.914 20 0 JJADRN CCOc1ccc(NC(=O)[C@H](C)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104972 1067556115 /nfs/dbraw/zinc/55/61/15/1067556115.db2.gz JPKZWAJZGFERIM-PGRDOPGGSA-N 0 0 459.631 4.770 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)C1 ZINC001460112439 1067557271 /nfs/dbraw/zinc/55/72/71/1067557271.db2.gz PCWYOUJBXIYTTL-STQMWFEESA-N 0 0 452.780 4.874 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)C1 ZINC001460112436 1067557290 /nfs/dbraw/zinc/55/72/90/1067557290.db2.gz PCWYOUJBXIYTTL-CHWSQXEVSA-N 0 0 452.780 4.874 20 0 JJADRN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001460112603 1067557630 /nfs/dbraw/zinc/55/76/30/1067557630.db2.gz SGAVXOUVPMPQMS-UHFFFAOYSA-N 0 0 458.703 4.667 20 0 JJADRN O=C(CN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460112783 1067557712 /nfs/dbraw/zinc/55/77/12/1067557712.db2.gz WDGLZXZONBWNFW-QAPCUYQASA-N 0 0 465.438 4.503 20 0 JJADRN NC(=O)CCN(C(=O)CSc1cccc2cccc(Cl)c21)[C@H]1CCOc2ccccc21 ZINC001460113911 1067557940 /nfs/dbraw/zinc/55/79/40/1067557940.db2.gz SVPJVSGBBLACNS-IBGZPJMESA-N 0 0 454.979 4.813 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001460115584 1067558440 /nfs/dbraw/zinc/55/84/40/1067558440.db2.gz ZDXBTNWRUFQZNP-NFBKMPQASA-N 0 0 450.608 4.767 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)C2CC2)CCS1 ZINC001546113984 1067558769 /nfs/dbraw/zinc/55/87/69/1067558769.db2.gz RCVVXGTUZDPTAI-OAQYLSRUSA-N 0 0 455.672 4.722 20 0 JJADRN O=C(COc1cccc(Br)c1)Nc1c(F)cccc1C(=O)OCc1ccccc1 ZINC001460117231 1067558774 /nfs/dbraw/zinc/55/87/74/1067558774.db2.gz SIRHXBSDYKAIHE-UHFFFAOYSA-N 0 0 458.283 4.963 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@H]2C)CCS1 ZINC001546114005 1067558921 /nfs/dbraw/zinc/55/89/21/1067558921.db2.gz RWZYGKHUKFBVBX-ISJBWFOZSA-N 0 0 488.698 4.687 20 0 JJADRN Cn1nccc1[C@H]1C[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCO1 ZINC001460121565 1067559240 /nfs/dbraw/zinc/55/92/40/1067559240.db2.gz HUUKKSREFDIUPA-RHSMWYFYSA-N 0 0 451.470 4.697 20 0 JJADRN Cn1nccc1[C@H]1C[C@@H](NC(=O)c2sc3cc(Br)ccc3c2Cl)CCO1 ZINC001460122195 1067559251 /nfs/dbraw/zinc/55/92/51/1067559251.db2.gz IBAYIVNGMCMIFV-SMDDNHRTSA-N 0 0 454.777 4.701 20 0 JJADRN CC(C)CN(C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001460121287 1067559304 /nfs/dbraw/zinc/55/93/04/1067559304.db2.gz GYLGWNOSYXPPIQ-QFIPXVFZSA-N 0 0 453.505 4.585 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc1 ZINC001460123357 1067559791 /nfs/dbraw/zinc/55/97/91/1067559791.db2.gz JWHIGCIVZDAHLA-ZBFHGGJFSA-N 0 0 455.395 4.753 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1c(F)cccc1-n1cccn1)C1CCCCCC1 ZINC001460129699 1067560983 /nfs/dbraw/zinc/56/09/83/1067560983.db2.gz GPDWIVIQOYXLKR-LJQANCHMSA-N 0 0 458.578 4.739 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)c2ccc(OC)cc2)CCS1 ZINC001546114075 1067561242 /nfs/dbraw/zinc/56/12/42/1067561242.db2.gz UWWVNOLGMHVERO-IBGZPJMESA-N 0 0 473.687 4.731 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCOc3ccccc32)CCS1 ZINC001546114081 1067561606 /nfs/dbraw/zinc/56/16/06/1067561606.db2.gz VAHFNGFXFQSHHC-WOJBJXKFSA-N 0 0 474.671 4.680 20 0 JJADRN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139425 1067563175 /nfs/dbraw/zinc/56/31/75/1067563175.db2.gz HXNDYSQUTQKAJR-OAHLLOKOSA-N 0 0 452.546 4.969 20 0 JJADRN C[C@H]1CN(c2cccc(Cl)c2)CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC001460143751 1067563864 /nfs/dbraw/zinc/56/38/64/1067563864.db2.gz WULDNUPZYQCKCV-LBPRGKRZSA-N 0 0 453.793 4.925 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001460144590 1067564199 /nfs/dbraw/zinc/56/41/99/1067564199.db2.gz ULBKMFGJRAJXCP-QGZVFWFLSA-N 0 0 455.584 4.720 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CCS1 ZINC001546114184 1067564260 /nfs/dbraw/zinc/56/42/60/1067564260.db2.gz YDAWCYGHXYPTLT-LJQANCHMSA-N 0 0 477.744 4.823 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC=C(c3ccccn3)C1)C[C@H](C)CC2 ZINC001460147332 1067564909 /nfs/dbraw/zinc/56/49/09/1067564909.db2.gz RQWNFPCYYQRLRZ-SJORKVTESA-N 0 0 453.608 4.561 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001460150697 1067565778 /nfs/dbraw/zinc/56/57/78/1067565778.db2.gz IQCTUNKHSBMDQQ-DVOMOZLQSA-N 0 0 451.017 4.957 20 0 JJADRN COc1ccc([C@H](O)C2CCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1 ZINC001460152031 1067565945 /nfs/dbraw/zinc/56/59/45/1067565945.db2.gz SLYWZJJLLQMJHM-VWLOTQADSA-N 0 0 451.592 4.511 20 0 JJADRN COc1ccc([C@H](O)C2CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152048 1067566100 /nfs/dbraw/zinc/56/61/00/1067566100.db2.gz STWLZRQUVMWLMA-NSOVKSMOSA-N 0 0 450.623 4.878 20 0 JJADRN Fc1cc(Br)ccc1CN(Cc1nccn1CC(F)(F)F)Cc1ccccn1 ZINC001460155950 1067566405 /nfs/dbraw/zinc/56/64/05/1067566405.db2.gz CIBXFTNUKYRPHQ-UHFFFAOYSA-N 0 0 457.269 4.944 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCS1 ZINC001546114231 1067566552 /nfs/dbraw/zinc/56/65/52/1067566552.db2.gz ZYLSKZSBKMYATE-UHFFFAOYSA-N 0 0 451.681 4.913 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)n2)cc1 ZINC001460159638 1067567202 /nfs/dbraw/zinc/56/72/02/1067567202.db2.gz UGWAKRPABCWUCR-ZUOKHONESA-N 0 0 457.518 4.578 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)Nc1nnc2ccc(Br)cn21)c1ccccc1 ZINC001460162163 1067567983 /nfs/dbraw/zinc/56/79/83/1067567983.db2.gz XJWALSQOMNJVII-HXUWFJFHSA-N 0 0 451.324 4.813 20 0 JJADRN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460167044 1067568271 /nfs/dbraw/zinc/56/82/71/1067568271.db2.gz RSEBEPBJVDXNQM-GOSISDBHSA-N 0 0 457.398 4.931 20 0 JJADRN Cc1cccc(C)c1-n1nnnc1CN1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460167441 1067568289 /nfs/dbraw/zinc/56/82/89/1067568289.db2.gz GIQAOEJZDQGYSL-HSZRJFAPSA-N 0 0 453.034 4.665 20 0 JJADRN COc1c(OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)ccc2ccccc21 ZINC001460169013 1067568684 /nfs/dbraw/zinc/56/86/84/1067568684.db2.gz YJVBAFNUGLOFJV-HDICACEKSA-N 0 0 453.560 4.734 20 0 JJADRN Cc1ccc(C2=NN(C(=O)CN[C@@H](CCO)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 ZINC001460172546 1067570045 /nfs/dbraw/zinc/57/00/45/1067570045.db2.gz ONVFYKJRAQCJGU-JTHBVZDNSA-N 0 0 451.954 4.632 20 0 JJADRN Cc1ccccc1Cc1noc(CN(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)n1 ZINC001460173017 1067570138 /nfs/dbraw/zinc/57/01/38/1067570138.db2.gz BHDDTMPLMSGJCB-LJQANCHMSA-N 0 0 453.892 4.590 20 0 JJADRN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN[C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC001460174651 1067570460 /nfs/dbraw/zinc/57/04/60/1067570460.db2.gz AZLIYZVQTMVXHQ-DOTOQJQBSA-N 0 0 459.534 4.962 20 0 JJADRN C[C@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001460175292 1067571038 /nfs/dbraw/zinc/57/10/38/1067571038.db2.gz MKSACPZKJPXDKC-STQMWFEESA-N 0 0 450.377 4.896 20 0 JJADRN CCc1cc2oc(=O)cc(CN[C@H](CO)c3ccc(Br)c(F)c3)c2cc1Cl ZINC001460177171 1067571543 /nfs/dbraw/zinc/57/15/43/1067571543.db2.gz ZYASYJQLLNVQAS-GOSISDBHSA-N 0 0 454.723 4.734 20 0 JJADRN O=C(CN1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179394 1067572244 /nfs/dbraw/zinc/57/22/44/1067572244.db2.gz NENGCMQIWWSWJR-HYBUGGRVSA-N 0 0 453.380 4.986 20 0 JJADRN COc1c(F)cc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c(OC)c1F ZINC001460185578 1067574336 /nfs/dbraw/zinc/57/43/36/1067574336.db2.gz DOUDCEMERVVTRA-QGZVFWFLSA-N 0 0 455.299 4.520 20 0 JJADRN Cc1ccc(C(=O)NCc2nn(C)cc2Cl)cc1OCc1csc(Br)c1 ZINC001460189353 1067574838 /nfs/dbraw/zinc/57/48/38/1067574838.db2.gz QUZKSVMQLJDGJJ-UHFFFAOYSA-N 0 0 454.777 4.715 20 0 JJADRN CC(C)=CCC[C@H](C)NC(=O)Cc1cc(Br)cc(I)c1 ZINC001460190605 1067575356 /nfs/dbraw/zinc/57/53/56/1067575356.db2.gz UENGELZUKCSBQK-LBPRGKRZSA-N 0 0 450.158 4.847 20 0 JJADRN COc1ccc(-c2nc(CN3CCCC[C@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193645 1067575950 /nfs/dbraw/zinc/57/59/50/1067575950.db2.gz FEERKOJVJBIKAN-IBGZPJMESA-N 0 0 459.612 4.851 20 0 JJADRN Cc1nc(C(C)C)ccc1CN(CCN1CCOCC1)Cc1sccc1Br ZINC001460194274 1067576174 /nfs/dbraw/zinc/57/61/74/1067576174.db2.gz FNCUEMVBIUYBMI-UHFFFAOYSA-N 0 0 452.462 4.672 20 0 JJADRN COc1ccccc1CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)OC ZINC001460193951 1067576200 /nfs/dbraw/zinc/57/62/00/1067576200.db2.gz SLICMMJZNZCMDW-OAQYLSRUSA-N 0 0 453.926 4.683 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196276 1067576605 /nfs/dbraw/zinc/57/66/05/1067576605.db2.gz KQETZDZLCHLYKV-YADHBBJMSA-N 0 0 453.583 4.989 20 0 JJADRN Brc1ccsc1CN(CCSCc1ccccc1)CCN1CCOCC1 ZINC001460196703 1067576916 /nfs/dbraw/zinc/57/69/16/1067576916.db2.gz LJXKBUPEAXDYQV-UHFFFAOYSA-N 0 0 455.487 4.578 20 0 JJADRN CC[C@@H](NC(=O)CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 ZINC001460199450 1067577740 /nfs/dbraw/zinc/57/77/40/1067577740.db2.gz YCTHVEARCVONGY-WOJBJXKFSA-N 0 0 456.892 4.879 20 0 JJADRN O=C(CCN1CCC[C@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200626 1067578009 /nfs/dbraw/zinc/57/80/09/1067578009.db2.gz AHHWDQJZPSEAPK-KRWDZBQOSA-N 0 0 453.178 4.772 20 0 JJADRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201533 1067578161 /nfs/dbraw/zinc/57/81/61/1067578161.db2.gz ZHHVGPXBTHLIAE-DENIHFKCSA-N 0 0 455.599 4.866 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCC1(F)F ZINC001460205141 1067578516 /nfs/dbraw/zinc/57/85/16/1067578516.db2.gz VABSVDUIIVZNGS-ZDUSSCGKSA-N 0 0 452.914 4.824 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(F)c2)CCS1 ZINC001546114636 1067578615 /nfs/dbraw/zinc/57/86/15/1067578615.db2.gz AJKZTWOLQUFNDM-XMMPIXPASA-N 0 0 480.625 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1 ZINC001460207308 1067579367 /nfs/dbraw/zinc/57/93/67/1067579367.db2.gz DRTXLNFPAFVLNI-IRLDBZIGSA-N 0 0 459.631 4.928 20 0 JJADRN CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460209353 1067580135 /nfs/dbraw/zinc/58/01/35/1067580135.db2.gz STEZSLKSLZHTQR-YTFSRNRJSA-N 0 0 456.558 4.813 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)cc2)no1 ZINC001460216646 1067581274 /nfs/dbraw/zinc/58/12/74/1067581274.db2.gz STHAKQCOMYUESE-KRWDZBQOSA-N 0 0 456.340 4.603 20 0 JJADRN Cc1cc(C)cc(OCCN(C)C(=O)CN2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001460216336 1067581397 /nfs/dbraw/zinc/58/13/97/1067581397.db2.gz RSZYQSFIAHAVMB-HSZRJFAPSA-N 0 0 455.002 4.898 20 0 JJADRN Cc1cc(C)cc(OCCN(C)C(=O)CN2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001460216338 1067581679 /nfs/dbraw/zinc/58/16/79/1067581679.db2.gz RSZYQSFIAHAVMB-QHCPKHFHSA-N 0 0 455.002 4.898 20 0 JJADRN COc1ccc(C(=O)Nc2nc(C3CCCCC3)c(C)s2)nc1I ZINC001460216742 1067581723 /nfs/dbraw/zinc/58/17/23/1067581723.db2.gz NEKJTBLDARJCIG-UHFFFAOYSA-N 0 0 457.337 4.760 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CCS1 ZINC001546114778 1067582515 /nfs/dbraw/zinc/58/25/15/1067582515.db2.gz GIHIKCOZTPFEQO-LJQANCHMSA-N 0 0 480.078 4.691 20 0 JJADRN CO[C@@](C)(CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1ccccc1 ZINC001460219487 1067582540 /nfs/dbraw/zinc/58/25/40/1067582540.db2.gz XMSIUPYCEGTUOQ-QFIPXVFZSA-N 0 0 459.340 4.616 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)N3CCC(F)(Cc4ccc(Cl)cc4)CC3)CC2=O)cc1 ZINC001460220191 1067582787 /nfs/dbraw/zinc/58/27/87/1067582787.db2.gz LENIHGVZUZZESY-LJQANCHMSA-N 0 0 458.961 4.665 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)CCOC)CCS1 ZINC001546114818 1067583547 /nfs/dbraw/zinc/58/35/47/1067583547.db2.gz HSYIXILCGUMBSI-OAQYLSRUSA-N 0 0 497.503 4.607 20 0 JJADRN C[C@@H]1[C@H](CO)CCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225893 1067583940 /nfs/dbraw/zinc/58/39/40/1067583940.db2.gz IGWNYXKVYXWOKV-NQIIRXRSSA-N 0 0 453.583 4.575 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC001460231176 1067585284 /nfs/dbraw/zinc/58/52/84/1067585284.db2.gz JUTZKQNLXAFHDK-VQTJNVASSA-N 0 0 451.007 4.588 20 0 JJADRN CO[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001460233833 1067586534 /nfs/dbraw/zinc/58/65/34/1067586534.db2.gz UOKLKLXPTXPALO-CVNLYIMZSA-N 0 0 462.606 4.878 20 0 JJADRN CC(C)n1ccc(COC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)n1 ZINC001460235952 1067586878 /nfs/dbraw/zinc/58/68/78/1067586878.db2.gz QUMGHSSEBOVCRN-UHFFFAOYSA-N 0 0 451.527 4.686 20 0 JJADRN Cc1sc2nc(CN3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)nc(N)c2c1C ZINC001460236112 1067586971 /nfs/dbraw/zinc/58/69/71/1067586971.db2.gz VBCMTRRUEHTSNE-ZWKOTPCHSA-N 0 0 471.602 4.522 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)CCS1 ZINC001546114973 1067586991 /nfs/dbraw/zinc/58/69/91/1067586991.db2.gz MUSZLKBQPSYGEH-FQEVSTJZSA-N 0 0 464.598 4.773 20 0 JJADRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001460238472 1067587929 /nfs/dbraw/zinc/58/79/29/1067587929.db2.gz FTGQNOPJYWTCLM-URLQWDBASA-N 0 0 453.505 4.793 20 0 JJADRN CN(CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240071 1067588651 /nfs/dbraw/zinc/58/86/51/1067588651.db2.gz VCIGVIWSOQGDSA-HSZRJFAPSA-N 0 0 453.380 4.648 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245153 1067589819 /nfs/dbraw/zinc/58/98/19/1067589819.db2.gz IJNZBHGZHMVQML-ROUUACIJSA-N 0 0 458.183 4.527 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245136 1067589955 /nfs/dbraw/zinc/58/99/55/1067589955.db2.gz IJNZBHGZHMVQML-MSOLQXFVSA-N 0 0 458.183 4.527 20 0 JJADRN 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ZINC001460256075 1067592215 /nfs/dbraw/zinc/59/22/15/1067592215.db2.gz YQSWYWIQQDYXMN-CQSZACIVSA-N 0 0 459.249 4.613 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCSC)CCS1 ZINC001546115139 1067593245 /nfs/dbraw/zinc/59/32/45/1067593245.db2.gz UDXNSUARAQPXGY-UHFFFAOYSA-N 0 0 462.685 4.972 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC001460264593 1067593616 /nfs/dbraw/zinc/59/36/16/1067593616.db2.gz OJIKBUJEYLDBAB-HNNXBMFYSA-N 0 0 450.366 4.888 20 0 JJADRN CC[C@@](C)(CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1)OC ZINC001460268690 1067593903 /nfs/dbraw/zinc/59/39/03/1067593903.db2.gz LYYRHTTUDPOWGD-MHZLTWQESA-N 0 0 458.562 4.949 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)ccc21 ZINC001460270536 1067594609 /nfs/dbraw/zinc/59/46/09/1067594609.db2.gz AEOCQTCETKLSNC-JREAUHRESA-N 0 0 452.599 4.959 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(C(F)(F)F)cs4)CC3)CC2=O)cc1C ZINC001460270393 1067594626 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456.608 4.577 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)CC)CCS1 ZINC001546115275 1067599251 /nfs/dbraw/zinc/59/92/51/1067599251.db2.gz YNMCUCCWCPFEAO-UHFFFAOYSA-N 0 0 491.510 4.799 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460288951 1067599572 /nfs/dbraw/zinc/59/95/72/1067599572.db2.gz YYOJHWNTIBGHEQ-AWEZNQCLSA-N 0 0 455.165 4.984 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CCS1 ZINC001546115314 1067600636 /nfs/dbraw/zinc/60/06/36/1067600636.db2.gz ZZKICOPYQHEUNX-UHFFFAOYSA-N 0 0 475.460 4.785 20 0 JJADRN Cc1cc(Cn2nnc(C(=O)O[C@H](C)c3ccccc3OCc3ccc(F)cc3)c2C)no1 ZINC001460299692 1067601410 /nfs/dbraw/zinc/60/14/10/1067601410.db2.gz CDVISTJLLPUPPA-QGZVFWFLSA-N 0 0 450.470 4.567 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460301108 1067601881 /nfs/dbraw/zinc/60/18/81/1067601881.db2.gz UPJNDPOXCKKNPM-NJDAHSKKSA-N 0 0 451.611 4.934 20 0 JJADRN 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ZINC001460307552 1067604270 /nfs/dbraw/zinc/60/42/70/1067604270.db2.gz GCDDTRVKGDSCFE-PKTZIBPZSA-N 0 0 454.364 4.523 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1I ZINC001460307343 1067604307 /nfs/dbraw/zinc/60/43/07/1067604307.db2.gz IDUCQGKOGNTFFY-JTQLQIEISA-N 0 0 452.720 4.529 20 0 JJADRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001460312643 1067605061 /nfs/dbraw/zinc/60/50/61/1067605061.db2.gz GUMXMZGDMOTVOZ-LLVKDONJSA-N 0 0 450.411 4.532 20 0 JJADRN O=C(OCc1cn(CC(F)(F)c2ccccc2)nn1)c1ccc(Oc2ccccc2F)nc1 ZINC001460314385 1067605287 /nfs/dbraw/zinc/60/52/87/1067605287.db2.gz KARBZJISXWUXNC-UHFFFAOYSA-N 0 0 454.408 4.754 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccnn2-c2ccccn2)oc1-c1ccc(Br)cc1 ZINC001460313688 1067605356 /nfs/dbraw/zinc/60/53/56/1067605356.db2.gz UUQDDKOQXLIEKD-UHFFFAOYSA-N 0 0 452.312 4.565 20 0 JJADRN O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001460321339 1067607621 /nfs/dbraw/zinc/60/76/21/1067607621.db2.gz 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CCOC(=O)c1c(NC(=O)CN2C[C@@H](CC)OC[C@@H]2C)sc(Cl)c1-c1ccccc1 ZINC001460332609 1067609840 /nfs/dbraw/zinc/60/98/40/1067609840.db2.gz BTJMZBVNSWPLSM-GOEBONIOSA-N 0 0 450.988 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC001460333407 1067610558 /nfs/dbraw/zinc/61/05/58/1067610558.db2.gz QMJLYDNLQSRJKJ-NXHRZFHOSA-N 0 0 455.521 4.717 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCc2ccccc2[C@@H](C)C1 ZINC001460339128 1067611418 /nfs/dbraw/zinc/61/14/18/1067611418.db2.gz GOKUXWNXMMPZLA-INIZCTEOSA-N 0 0 451.592 4.690 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN3CCc4c(ccc(OC)c4OC)[C@H]3CC)sc2c1 ZINC001460341812 1067612417 /nfs/dbraw/zinc/61/24/17/1067612417.db2.gz LIYCICHKXYGPOZ-LJQANCHMSA-N 0 0 455.580 4.660 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001460342936 1067612758 /nfs/dbraw/zinc/61/27/58/1067612758.db2.gz DCKPHPNIMHJLNB-DJJJIMSYSA-N 0 0 455.860 4.661 20 0 JJADRN Cc1ccc(I)c(C(=O)NC/C=C/c2ccc(Br)cc2)c1 ZINC001460347023 1067613688 /nfs/dbraw/zinc/61/36/88/1067613688.db2.gz WTSFIGBUFZNICM-NSCUHMNNSA-N 0 0 456.121 4.805 20 0 JJADRN CO[C@@H]1COCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC001460350504 1067614474 /nfs/dbraw/zinc/61/44/74/1067614474.db2.gz REPUHNDBOQWYQX-QFBILLFUSA-N 0 0 450.398 4.523 20 0 JJADRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358458 1067617462 /nfs/dbraw/zinc/61/74/62/1067617462.db2.gz FSFPPBIZPKREAF-TYFXEQRTSA-N 0 0 469.582 4.589 20 0 JJADRN COc1ccc([C@@H]2CCN([C@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359592 1067617899 /nfs/dbraw/zinc/61/78/99/1067617899.db2.gz GPEQMJLSHFRMHK-GFJSAUFNSA-N 0 0 460.418 4.710 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)c(C)c2)cc1 ZINC001460361171 1067618352 /nfs/dbraw/zinc/61/83/52/1067618352.db2.gz QIFXGBCIUKCTOT-UHFFFAOYSA-N 0 0 456.995 4.836 20 0 JJADRN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001460363754 1067618617 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RHRJWWFCYRSBIY-UHFFFAOYSA-N 0 0 457.933 4.504 20 0 JJADRN O=C(CCNC(=O)c1cc(F)c(Br)cc1F)Nc1cc(Cl)cc(Cl)c1 ZINC001460528761 1067651216 /nfs/dbraw/zinc/65/12/16/1067651216.db2.gz XWKKPEYXYHKVDJ-UHFFFAOYSA-N 0 0 452.082 4.793 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)CSc3nc(C)nc4sc(C)c(C)c43)n2C)cc1 ZINC001460527922 1067651223 /nfs/dbraw/zinc/65/12/23/1067651223.db2.gz NVPJKMUYQMWFJN-UHFFFAOYSA-N 0 0 453.593 4.756 20 0 JJADRN O=C(NCCc1ccc(Br)cc1Cl)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001460529549 1067651264 /nfs/dbraw/zinc/65/12/64/1067651264.db2.gz BJIWNUMKJQECAO-MRXNPFEDSA-N 0 0 455.805 4.518 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)NCC3=CCCCC3)cc2)cc1C ZINC001460529974 1067651700 /nfs/dbraw/zinc/65/17/00/1067651700.db2.gz JDZGMFQTBRMWOF-FQEVSTJZSA-N 0 0 456.608 4.512 20 0 JJADRN CCCO[C@@H](C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(F)cc1C ZINC001460533356 1067652227 /nfs/dbraw/zinc/65/22/27/1067652227.db2.gz LRIYFGBHDMZQKX-HSZRJFAPSA-N 0 0 451.498 4.787 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534858 1067652636 /nfs/dbraw/zinc/65/26/36/1067652636.db2.gz SSFSUSASBCPJDF-CHWSQXEVSA-N 0 0 459.896 4.689 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534865 1067652728 /nfs/dbraw/zinc/65/27/28/1067652728.db2.gz SSFSUSASBCPJDF-STQMWFEESA-N 0 0 459.896 4.689 20 0 JJADRN O=C(c1nn(-c2ccccc2F)cc1Br)N1CCc2c(Cl)cc(F)cc2C1 ZINC001460551251 1067654751 /nfs/dbraw/zinc/65/47/51/1067654751.db2.gz AGSOVTQKGSBRNE-UHFFFAOYSA-N 0 0 452.686 4.765 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)ccc1F ZINC001460551656 1067655273 /nfs/dbraw/zinc/65/52/73/1067655273.db2.gz BPUGVUYZDOBCMI-ZWKOTPCHSA-N 0 0 452.551 4.765 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N1CCc2cc(F)cc(Br)c2C1 ZINC001460567575 1067657671 /nfs/dbraw/zinc/65/76/71/1067657671.db2.gz RXOIQVXNSUFAIM-KRWDZBQOSA-N 0 0 457.137 4.623 20 0 JJADRN O=C1CN(Cc2ccc(OCc3ccncc3)cc2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001460569038 1067657736 /nfs/dbraw/zinc/65/77/36/1067657736.db2.gz VIZWHGMENQLESQ-UHFFFAOYSA-N 0 0 455.480 4.524 20 0 JJADRN O=C(CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460570733 1067658164 /nfs/dbraw/zinc/65/81/64/1067658164.db2.gz OADMRVRJWDEGKX-NRFANRHFSA-N 0 0 457.357 4.876 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)cc1 ZINC001460572695 1067658216 /nfs/dbraw/zinc/65/82/16/1067658216.db2.gz TZCNGLJRQGVRNA-UHFFFAOYSA-N 0 0 454.785 4.788 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546117363 1067658552 /nfs/dbraw/zinc/65/85/52/1067658552.db2.gz DNBYKFYOOUKBGR-UHFFFAOYSA-N 0 0 451.681 4.915 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001460573503 1067658691 /nfs/dbraw/zinc/65/86/91/1067658691.db2.gz ZUANNJMABIRGFX-UHFFFAOYSA-N 0 0 453.800 4.908 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3ccc(C(=O)N=S(C)(C)=O)cc3)c(C(C)(C)C)n2)cc1 ZINC001460573994 1067658724 /nfs/dbraw/zinc/65/87/24/1067658724.db2.gz AOKYOSGOTSVXLU-UHFFFAOYSA-N 0 0 452.580 4.598 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CCS1 ZINC001546117412 1067660253 /nfs/dbraw/zinc/66/02/53/1067660253.db2.gz FRBSNWGBZMNLRP-LJQANCHMSA-N 0 0 465.708 4.988 20 0 JJADRN Cc1csc2nc(CC(=O)Nc3cc(C)c(F)cc3C(=O)N[C@@H](C)c3ccccc3)cn12 ZINC001460579971 1067660471 /nfs/dbraw/zinc/66/04/71/1067660471.db2.gz IEPVXCMFXQNSBP-INIZCTEOSA-N 0 0 450.539 4.824 20 0 JJADRN Cc1csc2nc(CC(=O)Nc3cc(C)c(F)cc3C(=O)N[C@H](C)c3ccccc3)cn12 ZINC001460579978 1067660508 /nfs/dbraw/zinc/66/05/08/1067660508.db2.gz IEPVXCMFXQNSBP-MRXNPFEDSA-N 0 0 450.539 4.824 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CC2CCOCC2)CCS1 ZINC001546117420 1067660539 /nfs/dbraw/zinc/66/05/39/1067660539.db2.gz FXTCVPMTLKRBBG-UHFFFAOYSA-N 0 0 450.599 4.686 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCCC2=O)cc1 ZINC001460581459 1067661287 /nfs/dbraw/zinc/66/12/87/1067661287.db2.gz NSEXZUBMYADIGY-DNVCBOLYSA-N 0 0 457.368 4.710 20 0 JJADRN COCc1nc(CNC(=O)c2cccc(Sc3cccc(Br)c3)n2)cs1 ZINC001460583330 1067661729 /nfs/dbraw/zinc/66/17/29/1067661729.db2.gz VPDWMAOOXAJIDV-UHFFFAOYSA-N 0 0 450.383 4.528 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1 ZINC001460583465 1067661735 /nfs/dbraw/zinc/66/17/35/1067661735.db2.gz GJVOCSJMIOAMDJ-OAHLLOKOSA-N 0 0 456.901 4.852 20 0 JJADRN O=C(CN1CCc2cc(C(F)(F)F)ccc2C1)NCc1ccccc1COc1ccccc1 ZINC001460583114 1067661812 /nfs/dbraw/zinc/66/18/12/1067661812.db2.gz SYOQKOPFRIJCRC-UHFFFAOYSA-N 0 0 454.492 4.959 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)n1 ZINC001460583308 1067661825 /nfs/dbraw/zinc/66/18/25/1067661825.db2.gz FVCOZRHNTYBOKG-UHFFFAOYSA-N 0 0 458.921 4.941 20 0 JJADRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC001460584437 1067662336 /nfs/dbraw/zinc/66/23/36/1067662336.db2.gz LZMVJHHTWPUMCM-VWLOTQADSA-N 0 0 459.525 4.997 20 0 JJADRN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnn2cccc(Br)c12 ZINC001460583956 1067662367 /nfs/dbraw/zinc/66/23/67/1067662367.db2.gz CCFPZHQVLSXKLO-UHFFFAOYSA-N 0 0 450.218 4.554 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)ccc1Br ZINC001460584357 1067662376 /nfs/dbraw/zinc/66/23/76/1067662376.db2.gz JOVBVUOQTJQGAJ-IBGZPJMESA-N 0 0 451.311 4.666 20 0 JJADRN Cc1c2ccccc2c(=O)oc1C(=O)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001460584284 1067662399 /nfs/dbraw/zinc/66/23/99/1067662399.db2.gz MLYXJJHAXYBXEZ-UHFFFAOYSA-N 0 0 450.853 4.967 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)NCC2(c3cccc(OC)c3)CC2)nnc1-c1ccccc1 ZINC001460587309 1067663211 /nfs/dbraw/zinc/66/32/11/1067663211.db2.gz AWYLZVBOILRCEL-GOSISDBHSA-N 0 0 450.608 4.865 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccccc2F)CCS1 ZINC001546117486 1067663277 /nfs/dbraw/zinc/66/32/77/1067663277.db2.gz ICDVAHHPWPDRHR-UHFFFAOYSA-N 0 0 461.651 4.548 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCc1noc(-c2c(F)cccc2Cl)n1 ZINC001460588728 1067663578 /nfs/dbraw/zinc/66/35/78/1067663578.db2.gz BLSDOIWNUVTJDO-FQEVSTJZSA-N 0 0 453.901 4.946 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001460588461 1067663595 /nfs/dbraw/zinc/66/35/95/1067663595.db2.gz AGIIKVXTFRVITQ-NOZRDPDXSA-N 0 0 457.014 4.842 20 0 JJADRN COc1ccc(CN[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)c1OC ZINC001460589755 1067663655 /nfs/dbraw/zinc/66/36/55/1067663655.db2.gz HBLRRPSVAZNAFF-QGZVFWFLSA-N 0 0 450.373 4.509 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC001460588613 1067663674 /nfs/dbraw/zinc/66/36/74/1067663674.db2.gz AZEUZGLNDQTVMF-SFHVURJKSA-N 0 0 457.785 4.966 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NCc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001460590539 1067664235 /nfs/dbraw/zinc/66/42/35/1067664235.db2.gz DSNUAWVQQIYSON-MRXNPFEDSA-N 0 0 454.741 4.961 20 0 JJADRN COc1ccc(C(=O)O[C@H](CC(C)C)c2ccccc2OC)nc1I ZINC001460592762 1067664534 /nfs/dbraw/zinc/66/45/34/1067664534.db2.gz BZDPEJTUQKQVDE-QGZVFWFLSA-N 0 0 455.292 4.648 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001460598099 1067665605 /nfs/dbraw/zinc/66/56/05/1067665605.db2.gz QRPISCYCLJHUPR-QZTJIDSGSA-N 0 0 455.769 4.516 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)N[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001460598237 1067665959 /nfs/dbraw/zinc/66/59/59/1067665959.db2.gz SISGZIGYACXTBV-FCHUYYIVSA-N 0 0 459.464 4.837 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001460598255 1067666032 /nfs/dbraw/zinc/66/60/32/1067666032.db2.gz SJBAYVMGQWLKRF-ROUUACIJSA-N 0 0 450.284 4.810 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)c1cccc(OC)c1 ZINC001460598922 1067666052 /nfs/dbraw/zinc/66/60/52/1067666052.db2.gz QRDYLDVCOAMPOW-VWLOTQADSA-N 0 0 456.539 4.559 20 0 JJADRN C[C@H]1[C@@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001460602734 1067667396 /nfs/dbraw/zinc/66/73/96/1067667396.db2.gz APQUPHAEADFNBI-WFASDCNBSA-N 0 0 456.440 4.614 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC001460601661 1067667402 /nfs/dbraw/zinc/66/74/02/1067667402.db2.gz AELVWBKZMYDRCD-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN Cc1ccc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)c(Br)n1 ZINC001460601642 1067667479 /nfs/dbraw/zinc/66/74/79/1067667479.db2.gz AAHZRNOGYXNNEW-ZIAGYGMSSA-N 0 0 456.306 4.911 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001460603375 1067668060 /nfs/dbraw/zinc/66/80/60/1067668060.db2.gz DMGUGPARAKYIDK-CVDCTZTESA-N 0 0 454.567 4.819 20 0 JJADRN O=C(CN1CC[C@@H](c2ccccc2)c2ccccc21)Nc1ccccc1S(=O)(=O)C(F)F ZINC001460603144 1067668080 /nfs/dbraw/zinc/66/80/80/1067668080.db2.gz ASIOWCFHSKKJSS-SFHVURJKSA-N 0 0 456.514 4.664 20 0 JJADRN Cn1cc(Br)cc1C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001460603296 1067668083 /nfs/dbraw/zinc/66/80/83/1067668083.db2.gz DFKLDDVFYSGXTR-KRWDZBQOSA-N 0 0 450.377 4.564 20 0 JJADRN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001460603372 1067668185 /nfs/dbraw/zinc/66/81/85/1067668185.db2.gz DMGUGPARAKYIDK-AUSIDOKSSA-N 0 0 454.567 4.819 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC001460603648 1067668662 /nfs/dbraw/zinc/66/86/62/1067668662.db2.gz GHRKLFSOBQMQQI-SWLSCSKDSA-N 0 0 457.777 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604282 1067668706 /nfs/dbraw/zinc/66/87/06/1067668706.db2.gz LHUDFJNVSUNTAM-YJBOKZPZSA-N 0 0 459.812 4.875 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)O[C@@H]3CCc4cc(Br)cnc43)C2)c1 ZINC001460604664 1067668721 /nfs/dbraw/zinc/66/87/21/1067668721.db2.gz GQQUPWISMFURKL-FXAWDEMLSA-N 0 0 457.368 4.544 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(Br)c1 ZINC001460607179 1067669630 /nfs/dbraw/zinc/66/96/30/1067669630.db2.gz OMBPNYNVZRPLDH-SFHVURJKSA-N 0 0 451.405 4.596 20 0 JJADRN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001460608201 1067670208 /nfs/dbraw/zinc/67/02/08/1067670208.db2.gz JKAGQVHMVNZTNG-UZLBHIALSA-N 0 0 450.476 4.971 20 0 JJADRN COc1cc(CCC(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc(OC)c1 ZINC001460609099 1067670652 /nfs/dbraw/zinc/67/06/52/1067670652.db2.gz RXWJIDHKMMOKGG-IRXDYDNUSA-N 0 0 450.501 4.781 20 0 JJADRN COc1cc(CCC(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc(OC)c1 ZINC001460609095 1067670837 /nfs/dbraw/zinc/67/08/37/1067670837.db2.gz RXWJIDHKMMOKGG-CALCHBBNSA-N 0 0 450.501 4.781 20 0 JJADRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cnc(Cc2ccccc2)s1 ZINC001460611093 1067671347 /nfs/dbraw/zinc/67/13/47/1067671347.db2.gz COGHCTPMUPAUAA-UHFFFAOYSA-N 0 0 458.465 4.819 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)CN2CCc3ccc(C(F)(F)F)cc3C2)c(C(F)(F)F)c1 ZINC001460613194 1067673000 /nfs/dbraw/zinc/67/30/00/1067673000.db2.gz UATCDLXKCFMVDU-UHFFFAOYSA-N 0 0 459.390 4.679 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC001460613944 1067673038 /nfs/dbraw/zinc/67/30/38/1067673038.db2.gz UYUTUFSWYHDAHY-JKSUJKDBSA-N 0 0 452.374 4.530 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)ccc1Br ZINC001460613106 1067673079 /nfs/dbraw/zinc/67/30/79/1067673079.db2.gz CITJDJSKYONXRF-UHFFFAOYSA-N 0 0 450.764 4.606 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1Br ZINC001460614399 1067673605 /nfs/dbraw/zinc/67/36/05/1067673605.db2.gz VTGNTYUNSRGNJC-UHFFFAOYSA-N 0 0 454.246 4.842 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1OCc1ccccc1 ZINC001460619293 1067674694 /nfs/dbraw/zinc/67/46/94/1067674694.db2.gz CHYVUMCAXYIIDW-QFIPXVFZSA-N 0 0 459.590 4.561 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001460620903 1067675245 /nfs/dbraw/zinc/67/52/45/1067675245.db2.gz SYNQAAQGICMFRL-FPOVZHCZSA-N 0 0 455.624 4.557 20 0 JJADRN COc1ccccc1N(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(C)C ZINC001460624400 1067676262 /nfs/dbraw/zinc/67/62/62/1067676262.db2.gz DYADTDLTAXZLBU-UHFFFAOYSA-N 0 0 450.560 4.502 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccccc2Br)CCC1 ZINC001460624769 1067676845 /nfs/dbraw/zinc/67/68/45/1067676845.db2.gz CZDDKGIMJRRVNO-UHFFFAOYSA-N 0 0 454.368 4.885 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001460626088 1067676871 /nfs/dbraw/zinc/67/68/71/1067676871.db2.gz NONOKHUYSDKBHO-WDEREUQCSA-N 0 0 450.479 4.528 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)c2ccc(F)cc2)CCS1 ZINC001546117761 1067677401 /nfs/dbraw/zinc/67/74/01/1067677401.db2.gz OMUHNYYSFYVIMS-CTNGQTDRSA-N 0 0 462.635 4.811 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(NC(C)=O)c2)CCS1 ZINC001546117750 1067677454 /nfs/dbraw/zinc/67/74/54/1067677454.db2.gz OHGQYDMHXGXKRY-NRFANRHFSA-N 0 0 457.644 4.638 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001460627439 1067677459 /nfs/dbraw/zinc/67/74/59/1067677459.db2.gz ZGJUDXYJXNNHOL-GFCCVEGCSA-N 0 0 450.479 4.528 20 0 JJADRN COc1ccc2nc(C)c(C(=O)Nc3nccn3Cc3ccc(Br)cc3)cc2c1 ZINC001460630208 1067677867 /nfs/dbraw/zinc/67/78/67/1067677867.db2.gz LDHSGWPVIITKEG-UHFFFAOYSA-N 0 0 451.324 4.811 20 0 JJADRN Fc1cc([C@@H]2OCC[C@H]2NCc2nc(Cc3cccc(Br)c3)no2)ccc1Cl ZINC001460628180 1067677931 /nfs/dbraw/zinc/67/79/31/1067677931.db2.gz ZZLXRGQPXJBOPI-XLIONFOSSA-N 0 0 466.738 4.835 20 0 JJADRN CCCC(CCC)c1ccc(OC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC001460633600 1067679485 /nfs/dbraw/zinc/67/94/85/1067679485.db2.gz BQKKSHAKFCQOAF-AREMUKBSSA-N 0 0 452.551 4.752 20 0 JJADRN C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633867 1067679518 /nfs/dbraw/zinc/67/95/18/1067679518.db2.gz NRDWTWDHLIWFIM-HIFRSBDPSA-N 0 0 458.386 4.869 20 0 JJADRN C[C@@H](OC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460633669 1067679565 /nfs/dbraw/zinc/67/95/65/1067679565.db2.gz HKCNIVCWAHRLID-MRXNPFEDSA-N 0 0 457.983 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3cccc(N=S(C)(C)=O)c3)cccc21 ZINC001460633670 1067679607 /nfs/dbraw/zinc/67/96/07/1067679607.db2.gz COJDBCLBCITOIU-UHFFFAOYSA-N 0 0 457.596 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Br)c(Cl)c2)c2ccccc21 ZINC001460636069 1067680602 /nfs/dbraw/zinc/68/06/02/1067680602.db2.gz AQBXFDICEMKVRM-UHFFFAOYSA-N 0 0 452.736 4.899 20 0 JJADRN CN(C)c1cc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC001460638076 1067680958 /nfs/dbraw/zinc/68/09/58/1067680958.db2.gz BUZZZIROZLSGSO-LJQANCHMSA-N 0 0 455.521 4.825 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1Br ZINC001460638935 1067681583 /nfs/dbraw/zinc/68/15/83/1067681583.db2.gz ZUNHSDCXWBSSQY-QGZVFWFLSA-N 0 0 453.377 4.511 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CN2CCO[C@@H](c3ccc(OC)cc3)C2)c2cccs2)cc1 ZINC001460639070 1067681617 /nfs/dbraw/zinc/68/16/17/1067681617.db2.gz HVDCCDUUXALCCW-ZEQKJWHPSA-N 0 0 450.604 4.598 20 0 JJADRN Cc1oc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1S(=O)(=O)N1CCCC1 ZINC001460640378 1067682090 /nfs/dbraw/zinc/68/20/90/1067682090.db2.gz IYVXYLLRUBTNPU-LJQANCHMSA-N 0 0 457.379 4.560 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC001460642543 1067683196 /nfs/dbraw/zinc/68/31/96/1067683196.db2.gz IDYPOWRTLMJWHV-UHFFFAOYSA-N 0 0 458.393 4.780 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC001460643901 1067683732 /nfs/dbraw/zinc/68/37/32/1067683732.db2.gz PRHVHIDIMQIBSB-QGZVFWFLSA-N 0 0 458.402 4.767 20 0 JJADRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460644727 1067684045 /nfs/dbraw/zinc/68/40/45/1067684045.db2.gz NUVPFDBURUCXLX-GQWAEJPESA-N 0 0 456.867 4.698 20 0 JJADRN Cc1cccc2c1OC[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C2 ZINC001460646612 1067684619 /nfs/dbraw/zinc/68/46/19/1067684619.db2.gz NENRIHSKZVSWGC-MRXNPFEDSA-N 0 0 457.299 4.817 20 0 JJADRN COc1cc(-c2noc(CN3CCC(Cc4ccc(Cl)cc4)CC3)n2)cc(OC)c1OC ZINC001460647032 1067684783 /nfs/dbraw/zinc/68/47/83/1067684783.db2.gz AVSPNYKZOHEQFY-UHFFFAOYSA-N 0 0 457.958 4.871 20 0 JJADRN CC(C)OCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001460647422 1067685234 /nfs/dbraw/zinc/68/52/34/1067685234.db2.gz AUXALPAJQPYGHJ-REWPJTCUSA-N 0 0 457.542 4.771 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647634 1067685305 /nfs/dbraw/zinc/68/53/05/1067685305.db2.gz ANFMRAPGFYIENP-FTJBHMTQSA-N 0 0 452.595 4.975 20 0 JJADRN CC[C@@H](CC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1)c1ccc(OC)cc1 ZINC001460647956 1067685836 /nfs/dbraw/zinc/68/58/36/1067685836.db2.gz SWHVYIMABMKMPA-INIZCTEOSA-N 0 0 451.498 4.904 20 0 JJADRN CCSc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c1 ZINC001460648003 1067685852 /nfs/dbraw/zinc/68/58/52/1067685852.db2.gz DHHXHPCKBAIJQT-UHFFFAOYSA-N 0 0 454.617 4.944 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(Cl)c(F)c4)C[C@@H]3C)CCC2=O)cc1C ZINC001460651347 1067687295 /nfs/dbraw/zinc/68/72/95/1067687295.db2.gz PRMPCEREWSDLCM-RBUKOAKNSA-N 0 0 457.977 4.576 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001460652273 1067688032 /nfs/dbraw/zinc/68/80/32/1067688032.db2.gz OWTYTURAHKNSQH-HUUCEWRRSA-N 0 0 453.892 4.648 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC001460654192 1067688865 /nfs/dbraw/zinc/68/88/65/1067688865.db2.gz OMDSJSWJOWWBAD-AWEZNQCLSA-N 0 0 450.276 4.602 20 0 JJADRN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 ZINC001460654236 1067688928 /nfs/dbraw/zinc/68/89/28/1067688928.db2.gz YLVDSXMMELCVCF-MRXNPFEDSA-N 0 0 451.498 4.904 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)o1 ZINC001460654914 1067689272 /nfs/dbraw/zinc/68/92/72/1067689272.db2.gz MDAAVAAKHBIAEX-ALCCZGGFSA-N 0 0 450.894 4.516 20 0 JJADRN O=C(CSc1nnnn1C1CCCC1)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001460657101 1067690387 /nfs/dbraw/zinc/69/03/87/1067690387.db2.gz NRSCKJSFXLVTSU-AWEZNQCLSA-N 0 0 454.396 4.746 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)CCS1 ZINC001546118005 1067690397 /nfs/dbraw/zinc/69/03/97/1067690397.db2.gz UTOORWZQTLLDJI-YTTGMZPUSA-N 0 0 482.666 4.560 20 0 JJADRN CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460660698 1067691762 /nfs/dbraw/zinc/69/17/62/1067691762.db2.gz KQZFMWCAFGXYIQ-NFBKMPQASA-N 0 0 451.611 4.940 20 0 JJADRN O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460671981 1067695038 /nfs/dbraw/zinc/69/50/38/1067695038.db2.gz CMHHAAMNPLIPGS-UHFFFAOYSA-N 0 0 454.658 4.606 20 0 JJADRN C[C@@H](OC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(N(C)C)cn1 ZINC001460673814 1067695607 /nfs/dbraw/zinc/69/56/07/1067695607.db2.gz HRDIPSUGLWWYRO-LLVKDONJSA-N 0 0 452.399 4.942 20 0 JJADRN COc1ccc(CCCC(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1OC ZINC001460672630 1067695615 /nfs/dbraw/zinc/69/56/15/1067695615.db2.gz FBKMTANWRKETCL-UHFFFAOYSA-N 0 0 454.748 4.868 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccncc3OCCC(C)(C)C)C2)c1 ZINC001460674277 1067695995 /nfs/dbraw/zinc/69/59/95/1067695995.db2.gz MQLAXAYHQUQLOS-QFIPXVFZSA-N 0 0 451.611 4.682 20 0 JJADRN CCOC(=O)c1sc(C2CCN([C@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)nc1C ZINC001460676163 1067696990 /nfs/dbraw/zinc/69/69/90/1067696990.db2.gz JSRDVEVXGAVGEB-OAHLLOKOSA-N 0 0 450.004 4.797 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)sc2c1 ZINC001460675866 1067697108 /nfs/dbraw/zinc/69/71/08/1067697108.db2.gz NTICRJUOUCJHTJ-MRXNPFEDSA-N 0 0 456.999 4.783 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3cc(C)n(-c4ccc(F)cc4F)n3)cs2)cc1OC ZINC001460675322 1067697128 /nfs/dbraw/zinc/69/71/28/1067697128.db2.gz MCKLEHWMBSFXBZ-UHFFFAOYSA-N 0 0 456.474 4.852 20 0 JJADRN CCc1ccc(N(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC001460679862 1067699086 /nfs/dbraw/zinc/69/90/86/1067699086.db2.gz ZWNQHYRWMFLLFI-MRXNPFEDSA-N 0 0 452.414 4.863 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc2ccccc21 ZINC001460680247 1067699169 /nfs/dbraw/zinc/69/91/69/1067699169.db2.gz OIASYPXLLZUUDF-LJQANCHMSA-N 0 0 451.429 4.862 20 0 JJADRN COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1cccc(Cl)c1 ZINC001460681125 1067699691 /nfs/dbraw/zinc/69/96/91/1067699691.db2.gz MOWIWLRIALOXAL-NRFANRHFSA-N 0 0 450.901 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NCC(=O)Nc2ccnn2C2CCCC2)C1(C)C ZINC001460682291 1067700288 /nfs/dbraw/zinc/70/02/88/1067700288.db2.gz CKWFMMQTLISJAW-QFIPXVFZSA-N 0 0 453.587 4.801 20 0 JJADRN CN(C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460683490 1067700632 /nfs/dbraw/zinc/70/06/32/1067700632.db2.gz NTTKRXGVVRFPMT-QHWMMSMNSA-N 0 0 450.579 4.740 20 0 JJADRN CN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460684511 1067701163 /nfs/dbraw/zinc/70/11/63/1067701163.db2.gz RIIFETZFZFOPQH-BJKOFHAPSA-N 0 0 451.494 4.676 20 0 JJADRN Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1=O ZINC001460686073 1067701634 /nfs/dbraw/zinc/70/16/34/1067701634.db2.gz CXWYVRVYNAOKHK-UHFFFAOYSA-N 0 0 450.441 4.908 20 0 JJADRN COC(=O)c1ccc2[nH]c(CN[C@@H]3c4ccccc4N(C(=O)OC(C)(C)C)C3(C)C)nc2c1 ZINC001460695099 1067703415 /nfs/dbraw/zinc/70/34/15/1067703415.db2.gz MEGTYPBASJOSMQ-OAQYLSRUSA-N 0 0 450.539 4.714 20 0 JJADRN Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)ccc1-c1ccccc1 ZINC001460695474 1067703670 /nfs/dbraw/zinc/70/36/70/1067703670.db2.gz ZWYLNHYNSJNKIX-UHFFFAOYSA-N 0 0 455.605 4.791 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1nc(CN(C)C)cs1 ZINC001460700724 1067704414 /nfs/dbraw/zinc/70/44/14/1067704414.db2.gz BYDATYPMJZQFKV-UHFFFAOYSA-N 0 0 452.964 4.872 20 0 JJADRN CCc1ccc(CN2CCN(C[C@](C)(O)c3ccc(Br)cc3Cl)CC2)cc1 ZINC001460703229 1067704747 /nfs/dbraw/zinc/70/47/47/1067704747.db2.gz WXJKJAYVHXXNHU-QFIPXVFZSA-N 0 0 451.836 4.690 20 0 JJADRN Cc1ccc(Oc2ccccc2NC(=O)CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC001460702686 1067704798 /nfs/dbraw/zinc/70/47/98/1067704798.db2.gz GOAATHDURPMKAG-OAQYLSRUSA-N 0 0 455.352 4.812 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 ZINC001460710666 1067706378 /nfs/dbraw/zinc/70/63/78/1067706378.db2.gz AFZSYINERXJXMA-NIYFSFCBSA-N 0 0 458.558 4.636 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cnc(Br)c(Br)c2)cc1 ZINC001460714341 1067707328 /nfs/dbraw/zinc/70/73/28/1067707328.db2.gz UJVISWPGXYWHED-GFCCVEGCSA-N 0 0 456.178 4.614 20 0 JJADRN C[C@H](NC(=O)CN(C)Cc1cscc1Br)c1ccc(OC(F)(F)F)cc1 ZINC001460717253 1067708364 /nfs/dbraw/zinc/70/83/64/1067708364.db2.gz QSBSAICDZQGXFG-NSHDSACASA-N 0 0 451.308 4.718 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc21)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001460716626 1067708413 /nfs/dbraw/zinc/70/84/13/1067708413.db2.gz OZIQIVRUGANZES-UHFFFAOYSA-N 0 0 454.246 4.649 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)(c2ccccc2)C1 ZINC001460722303 1067709277 /nfs/dbraw/zinc/70/92/77/1067709277.db2.gz DKTFIHRYQCLKEY-KYCQWFEFSA-N 0 0 456.608 4.710 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1Cl)CCC2 ZINC001460724051 1067709991 /nfs/dbraw/zinc/70/99/91/1067709991.db2.gz NLEXKQYWIZFDOU-UHFFFAOYSA-N 0 0 453.391 4.679 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC001460725703 1067710356 /nfs/dbraw/zinc/71/03/56/1067710356.db2.gz CBEFTIQBDWIKLS-HSZRJFAPSA-N 0 0 452.599 4.732 20 0 JJADRN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726682 1067710748 /nfs/dbraw/zinc/71/07/48/1067710748.db2.gz QZHCATZKJDIHIO-IDISGSTGSA-N 0 0 452.595 4.866 20 0 JJADRN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001460729139 1067710827 /nfs/dbraw/zinc/71/08/27/1067710827.db2.gz MFDHTVIDUQHWEO-PKOBYXMFSA-N 0 0 451.567 4.735 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731486 1067711649 /nfs/dbraw/zinc/71/16/49/1067711649.db2.gz OQKWYYDTXZWQRU-YADHBBJMSA-N 0 0 453.371 4.704 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731483 1067711782 /nfs/dbraw/zinc/71/17/82/1067711782.db2.gz OQKWYYDTXZWQRU-VXKWHMMOSA-N 0 0 453.371 4.704 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460735195 1067712096 /nfs/dbraw/zinc/71/20/96/1067712096.db2.gz XOJBVFXHBPHCDI-SANMLTNESA-N 0 0 452.618 4.914 20 0 JJADRN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001460738133 1067712627 /nfs/dbraw/zinc/71/26/27/1067712627.db2.gz NBPRXWWZFIWPPS-SELNLUPBSA-N 0 0 456.583 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)CC[C@H]1c1ccc(F)cc1 ZINC001460743652 1067713666 /nfs/dbraw/zinc/71/36/66/1067713666.db2.gz AHSXTKOMAGBHTM-FCHUYYIVSA-N 0 0 464.541 4.534 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3S2)CC[C@H]1c1ccc(F)cc1 ZINC001460746349 1067714487 /nfs/dbraw/zinc/71/44/87/1067714487.db2.gz VOYWJLWSBUIOMF-TUNNFDKTSA-N 0 0 456.583 4.752 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(F)(F)c2ccc(F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC001460745901 1067714497 /nfs/dbraw/zinc/71/44/97/1067714497.db2.gz SWLPMGDHEBEINM-VQTJNVASSA-N 0 0 466.475 4.966 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3=O)CC[C@H]1c1ccc(F)cc1 ZINC001460747348 1067714804 /nfs/dbraw/zinc/71/48/04/1067714804.db2.gz XXZJVKKPFGMTEG-JTHBVZDNSA-N 0 0 466.553 4.868 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001460754045 1067716967 /nfs/dbraw/zinc/71/69/67/1067716967.db2.gz ARHPLJYTFRFDNI-ZSEKCTLFSA-N 0 0 450.432 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cnn(-c3ccc(F)cc3)c2)C1 ZINC001460755459 1067717363 /nfs/dbraw/zinc/71/73/63/1067717363.db2.gz BJPUWXVELUGJSY-GCJKJVERSA-N 0 0 456.562 4.653 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CN1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)cc1 ZINC001460757366 1067717673 /nfs/dbraw/zinc/71/76/73/1067717673.db2.gz FGBSMSQHAKYBDI-HSZRJFAPSA-N 0 0 454.586 4.863 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2cc(Cl)c(C)cc2Br)cc1 ZINC001460756819 1067717702 /nfs/dbraw/zinc/71/77/02/1067717702.db2.gz KFQZRESDYRAHDK-IBGZPJMESA-N 0 0 450.760 4.954 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(C)c(C)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460757799 1067717767 /nfs/dbraw/zinc/71/77/67/1067717767.db2.gz UUYJEOWQOJWIBV-BDYUSTAISA-N 0 0 457.574 4.816 20 0 JJADRN Cc1c(C(=O)OCc2cc(Cl)c(C)cc2Br)nnn1Cc1ccc(F)cc1 ZINC001460760107 1067718365 /nfs/dbraw/zinc/71/83/65/1067718365.db2.gz OUOOAMDFSWYRJM-UHFFFAOYSA-N 0 0 452.711 4.855 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCCc2cc(Cl)cc(Br)c21 ZINC001460761386 1067719008 /nfs/dbraw/zinc/71/90/08/1067719008.db2.gz DVEJOQJGJBZBIY-ZDUSSCGKSA-N 0 0 451.723 4.574 20 0 JJADRN CCc1cccc(F)c1COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001460762680 1067719024 /nfs/dbraw/zinc/71/90/24/1067719024.db2.gz NHCSZTCKKUUCTL-UHFFFAOYSA-N 0 0 453.535 4.887 20 0 JJADRN C[C@@H](C(=O)N1CCCc2c(Cl)ccc(Br)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001460763755 1067719346 /nfs/dbraw/zinc/71/93/46/1067719346.db2.gz GZKKZMIPBGYDRE-GFCCVEGCSA-N 0 0 456.789 4.589 20 0 JJADRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460765562 1067719392 /nfs/dbraw/zinc/71/93/92/1067719392.db2.gz LIWPZOCBNCWUJC-NRFANRHFSA-N 0 0 453.970 4.904 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N3CCCc4cc(C)cc(Br)c43)CC2=O)cc1 ZINC001460763292 1067719553 /nfs/dbraw/zinc/71/95/53/1067719553.db2.gz NYKSFQRXNBGYLA-MRXNPFEDSA-N 0 0 459.409 4.812 20 0 JJADRN CCOc1ncc(C(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001460767886 1067720330 /nfs/dbraw/zinc/72/03/30/1067720330.db2.gz SFMIJPRIHZBYGA-LPHOPBHVSA-N 0 0 451.995 4.776 20 0 JJADRN CC(=O)N(c1nc(CN2CC[C@H](c3noc(C)n3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460776183 1067721021 /nfs/dbraw/zinc/72/10/21/1067721021.db2.gz XOZVLAOJJRJNOD-AWEZNQCLSA-N 0 0 451.474 4.527 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cccc(Br)c2Cl)c1 ZINC001460784448 1067722942 /nfs/dbraw/zinc/72/29/42/1067722942.db2.gz ADURPXDPNFRJIM-UHFFFAOYSA-N 0 0 452.153 4.907 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@H](C)Cc3cccc(F)c3)cc2)c1 ZINC001460784290 1067723032 /nfs/dbraw/zinc/72/30/32/1067723032.db2.gz AHPPCHDCQWPQTI-GOSISDBHSA-N 0 0 450.510 4.555 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c(C)s1 ZINC001460787328 1067723702 /nfs/dbraw/zinc/72/37/02/1067723702.db2.gz BKNMJHAVUXJVID-UHFFFAOYSA-N 0 0 454.891 4.549 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)OCc2cccc(Br)c2Cl)C1 ZINC001460789600 1067724075 /nfs/dbraw/zinc/72/40/75/1067724075.db2.gz KJKZZAYLCBWPCU-INIZCTEOSA-N 0 0 450.760 4.627 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)OCc3cccc(Br)c3Cl)c2)o1 ZINC001460794667 1067724897 /nfs/dbraw/zinc/72/48/97/1067724897.db2.gz STLNLUMRQSCIRG-UHFFFAOYSA-N 0 0 451.704 4.698 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1)c1ccccc1 ZINC001460796613 1067725366 /nfs/dbraw/zinc/72/53/66/1067725366.db2.gz OPKVERCGTVGIKB-RTBURBONSA-N 0 0 454.567 4.568 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H](C)Cc3cccc(F)c3)cc2)cc1 ZINC001460796842 1067725470 /nfs/dbraw/zinc/72/54/70/1067725470.db2.gz PWTDPZFBLCXGJC-IBGZPJMESA-N 0 0 454.567 4.662 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NCCC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC001460803399 1067726992 /nfs/dbraw/zinc/72/69/92/1067726992.db2.gz XPTKZTAPDNKCTF-IBGZPJMESA-N 0 0 451.336 4.589 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN2Cc3cc(Br)ccc3OC3(CCC3)C2)n1 ZINC001460803174 1067727098 /nfs/dbraw/zinc/72/70/98/1067727098.db2.gz SYCIVBNHHLUQQL-OAHLLOKOSA-N 0 0 450.377 4.883 20 0 JJADRN CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001460804658 1067727337 /nfs/dbraw/zinc/72/73/37/1067727337.db2.gz TVFQGYCORPPTQP-HSZRJFAPSA-N 0 0 459.384 4.662 20 0 JJADRN O=C(CCN1CCCC[C@@H]1c1ncc(Br)cn1)Nc1cccc(C(F)(F)F)c1 ZINC001460805747 1067727456 /nfs/dbraw/zinc/72/74/56/1067727456.db2.gz DMRXISBZPRHHFE-MRXNPFEDSA-N 0 0 457.294 4.814 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460807853 1067727773 /nfs/dbraw/zinc/72/77/73/1067727773.db2.gz DXMHZKOGUNYQMX-KCZVDYSFSA-N 0 0 456.533 4.935 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)C1 ZINC001460813760 1067728714 /nfs/dbraw/zinc/72/87/14/1067728714.db2.gz PSAALMJYPASXAT-RRMPHLOHSA-N 0 0 475.431 4.813 20 0 JJADRN CN(CCCN1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21)C(=O)OC(C)(C)C ZINC001460816749 1067729019 /nfs/dbraw/zinc/72/90/19/1067729019.db2.gz VMWJTVNYRGMBDK-KRWDZBQOSA-N 0 0 451.583 4.586 20 0 JJADRN COC(=O)[C@@](C)(NCc1cncc(OCc2ccccc2)c1)c1cccc(Br)c1 ZINC001460816433 1067729041 /nfs/dbraw/zinc/72/90/41/1067729041.db2.gz GCBRGVKLQIVTER-QHCPKHFHSA-N 0 0 455.352 4.601 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822561 1067729331 /nfs/dbraw/zinc/72/93/31/1067729331.db2.gz VJHBNAGPAHNQKK-KSFYIVLOSA-N 0 0 455.521 4.898 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460824341 1067729878 /nfs/dbraw/zinc/72/98/78/1067729878.db2.gz BCKZHPMAEAWULF-IAGOWNOFSA-N 0 0 458.990 4.656 20 0 JJADRN Cc1nn(CC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001460830090 1067731053 /nfs/dbraw/zinc/73/10/53/1067731053.db2.gz UDWQKUKYIYTQBR-DLBZAZTESA-N 0 0 454.537 4.980 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC001460831911 1067731462 /nfs/dbraw/zinc/73/14/62/1067731462.db2.gz KALRMSIHSQLBFR-CQSZACIVSA-N 0 0 458.971 4.626 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC001460831880 1067731558 /nfs/dbraw/zinc/73/15/58/1067731558.db2.gz KALRMSIHSQLBFR-AWEZNQCLSA-N 0 0 458.971 4.626 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccccc2)CCS1 ZINC001546119376 1067732029 /nfs/dbraw/zinc/73/20/29/1067732029.db2.gz AALCRPGKVJUFPQ-QHCPKHFHSA-N 0 0 471.696 4.654 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCS1 ZINC001546119452 1067732976 /nfs/dbraw/zinc/73/29/76/1067732976.db2.gz CWYKAQLBOALGGS-FYYLOGMGSA-N 0 0 457.688 4.827 20 0 JJADRN CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844470 1067733442 /nfs/dbraw/zinc/73/34/42/1067733442.db2.gz IYMHQSNPQBWYCG-QFBILLFUSA-N 0 0 456.414 4.598 20 0 JJADRN CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460844468 1067733560 /nfs/dbraw/zinc/73/35/60/1067733560.db2.gz 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COC(=O)c1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)ccc1N1CCCCC1 ZINC001461008110 1067761649 /nfs/dbraw/zinc/76/16/49/1067761649.db2.gz ZSBLIMOULOZXJR-UHFFFAOYSA-N 0 0 456.449 4.703 20 0 JJADRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1cnn(-c2ccc(Br)cc2)c1 ZINC001461014174 1067762094 /nfs/dbraw/zinc/76/20/94/1067762094.db2.gz WUHNYCAJBOUBJL-UHFFFAOYSA-N 0 0 459.369 4.780 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@H]1Cc1ccccc1Br)N1Cc2ccccc2C1=O ZINC001461018025 1067762928 /nfs/dbraw/zinc/76/29/28/1067762928.db2.gz XPEPPGBYFCWHSN-UGKGYDQZSA-N 0 0 455.396 4.663 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1sc2c(c1C(=O)OC)CCOC2 ZINC001461022953 1067763769 /nfs/dbraw/zinc/76/37/69/1067763769.db2.gz PGNJKNUDISNGBT-GFCCVEGCSA-N 0 0 452.370 4.577 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2(C)C)CCS1 ZINC001546120927 1067764654 /nfs/dbraw/zinc/76/46/54/1067764654.db2.gz FANVMQPVRDTBHF-QGZVFWFLSA-N 0 0 493.768 4.913 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)Nc3ccc4ccnc(Cl)c4c3)n2)CCCCCC1 ZINC001461029578 1067765654 /nfs/dbraw/zinc/76/56/54/1067765654.db2.gz HAFPZEIJQAPMLQ-UHFFFAOYSA-N 0 0 455.946 4.528 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(C)ccc2OC)CCS1 ZINC001546120987 1067766198 /nfs/dbraw/zinc/76/61/98/1067766198.db2.gz GTXCMKPTAXYBHB-GMAHTHKFSA-N 0 0 488.698 4.674 20 0 JJADRN O=C(c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)N1CC[C@H](C2CCCC2)C1 ZINC001461033918 1067766284 /nfs/dbraw/zinc/76/62/84/1067766284.db2.gz RKNWXKQSIAOCAU-ZDUSSCGKSA-N 0 0 457.294 4.701 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]3C)c2)n1 ZINC001461036457 1067766630 /nfs/dbraw/zinc/76/66/30/1067766630.db2.gz HKQZGKDBAMOODU-BOCKYXSRSA-N 0 0 454.615 4.560 20 0 JJADRN O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCc2c1cccc2Br ZINC001461037350 1067767336 /nfs/dbraw/zinc/76/73/36/1067767336.db2.gz LRMUMJHXTSVDKN-UHFFFAOYSA-N 0 0 456.361 4.626 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461038938 1067767610 /nfs/dbraw/zinc/76/76/10/1067767610.db2.gz KTJGOTVVLBTQFT-YCPHGPKFSA-N 0 0 457.384 4.529 20 0 JJADRN Cc1nc(-c2ncccn2)sc1C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461040095 1067767588 /nfs/dbraw/zinc/76/75/88/1067767588.db2.gz XZXPFZAKQSKZSI-QGZVFWFLSA-N 0 0 457.397 4.908 20 0 JJADRN Ic1cnc(CNCc2ccc(-c3nc4ccccc4s3)o2)s1 ZINC001461040944 1067767896 /nfs/dbraw/zinc/76/78/96/1067767896.db2.gz FWRXIHVLLKOVCV-UHFFFAOYSA-N 0 0 453.330 4.907 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001461042054 1067768296 /nfs/dbraw/zinc/76/82/96/1067768296.db2.gz OZBFACZQGSJWAY-MRXNPFEDSA-N 0 0 452.795 4.815 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001461042053 1067768342 /nfs/dbraw/zinc/76/83/42/1067768342.db2.gz OZBFACZQGSJWAY-INIZCTEOSA-N 0 0 452.795 4.815 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)cc1 ZINC001461044423 1067768909 /nfs/dbraw/zinc/76/89/09/1067768909.db2.gz ZARSJZNGDHROOY-UHFFFAOYSA-N 0 0 451.470 4.717 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccc(F)cc1I ZINC001461045328 1067768947 /nfs/dbraw/zinc/76/89/47/1067768947.db2.gz ZZXSIIXQSJPNLC-AWEZNQCLSA-N 0 0 453.295 4.914 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)C[C@H]1c1ccc(Br)cc1 ZINC001461049559 1067769605 /nfs/dbraw/zinc/76/96/05/1067769605.db2.gz FXCNDAJWFRNRJZ-URZJWIJPSA-N 0 0 474.395 4.755 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)ccc1OC(F)(F)F ZINC001461052633 1067770222 /nfs/dbraw/zinc/77/02/22/1067770222.db2.gz BDUOIFLBNVOIIW-KRWDZBQOSA-N 0 0 450.457 4.990 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCc2cc(C)sc2C)C[C@H]1c1ccc(Br)cc1 ZINC001461053498 1067770979 /nfs/dbraw/zinc/77/09/79/1067770979.db2.gz TZDOUQMYRQOHKF-VQTJNVASSA-N 0 0 464.425 4.865 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)NC1(c2ccc(C)cc2Br)CCCCC1 ZINC001461056083 1067771497 /nfs/dbraw/zinc/77/14/97/1067771497.db2.gz FPXHFVUFNUYXMA-GOSISDBHSA-N 0 0 453.446 4.735 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)CCS1 ZINC001546121170 1067772520 /nfs/dbraw/zinc/77/25/20/1067772520.db2.gz NNCRDPWUEISYSC-QHCPKHFHSA-N 0 0 474.602 4.609 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)c2ccccc2c1=O ZINC001461061523 1067773151 /nfs/dbraw/zinc/77/31/51/1067773151.db2.gz XBTVBJXQBWDKFX-GCJKJVERSA-N 0 0 455.599 4.559 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001461062631 1067773434 /nfs/dbraw/zinc/77/34/34/1067773434.db2.gz IFKGLZCCFHTBAC-QFIPXVFZSA-N 0 0 459.546 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2cccc(OCC(F)(F)F)c2)C1 ZINC001461062576 1067773560 /nfs/dbraw/zinc/77/35/60/1067773560.db2.gz HMRBJSTZWPMIRT-KRWDZBQOSA-N 0 0 450.457 4.724 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2OC(F)(F)F)C1 ZINC001461064940 1067774394 /nfs/dbraw/zinc/77/43/94/1067774394.db2.gz OLYHHNQWQGWKOC-RYUDHWBXSA-N 0 0 451.283 4.571 20 0 JJADRN COc1cc(C)c(OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c(C)c1 ZINC001461069680 1067775761 /nfs/dbraw/zinc/77/57/61/1067775761.db2.gz DAJWDCDPOYSZFL-SFHVURJKSA-N 0 0 451.544 4.671 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2cccnc2)C(C)C)CCS1 ZINC001546121340 1067775802 /nfs/dbraw/zinc/77/58/02/1067775802.db2.gz UKEFJVAFMHPZHM-VABKMULXSA-N 0 0 487.714 4.949 20 0 JJADRN CCOc1cc(CNc2ccc(N3CCCC3=O)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC001461073968 1067776350 /nfs/dbraw/zinc/77/63/50/1067776350.db2.gz OYERKVABIRFQQL-UHFFFAOYSA-N 0 0 459.546 4.842 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2CC2(SC)CC2)CCS1 ZINC001546121359 1067776471 /nfs/dbraw/zinc/77/64/71/1067776471.db2.gz VDUXNSLXHGSNGU-UHFFFAOYSA-N 0 0 462.685 4.873 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001461075361 1067776619 /nfs/dbraw/zinc/77/66/19/1067776619.db2.gz FIJNFLJTHIENJA-KWQFWETISA-N 0 0 459.237 4.530 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001461075352 1067776629 /nfs/dbraw/zinc/77/66/29/1067776629.db2.gz FIJNFLJTHIENJA-GZMMTYOYSA-N 0 0 459.237 4.530 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)NCc2cc(Cl)cc(I)c2)c1C1CC1 ZINC001461076253 1067777095 /nfs/dbraw/zinc/77/70/95/1067777095.db2.gz OXPPLZWGUQLORG-NSHDSACASA-N 0 0 457.743 4.920 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC001461078237 1067777318 /nfs/dbraw/zinc/77/73/18/1067777318.db2.gz VUUPWYBDXBDPBL-OAHLLOKOSA-N 0 0 451.350 4.855 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)Cc2ccccc2OC)CCCC1 ZINC001546121437 1067777625 /nfs/dbraw/zinc/77/76/25/1067777625.db2.gz YDTVFIUQUJWKMF-FQEVSTJZSA-N 0 0 453.631 4.561 20 0 JJADRN COC(=O)c1nnn(-c2ccccc2)c1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001461082775 1067778075 /nfs/dbraw/zinc/77/80/75/1067778075.db2.gz RVFZPPWRMYRBBQ-UHFFFAOYSA-N 0 0 456.380 4.585 20 0 JJADRN CCCN(C)c1ccc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)cc1 ZINC001461084824 1067778719 /nfs/dbraw/zinc/77/87/19/1067778719.db2.gz HPJGFMRJXLRRBA-UHFFFAOYSA-N 0 0 453.384 4.975 20 0 JJADRN COc1cc(CNc2ccc(N3CCCC3)cc2C)cc(I)c1OC ZINC001461086125 1067778863 /nfs/dbraw/zinc/77/88/63/1067778863.db2.gz ZOMZTGYYTTWKTQ-UHFFFAOYSA-N 0 0 452.336 4.829 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461094008 1067780965 /nfs/dbraw/zinc/78/09/65/1067780965.db2.gz COUJAQMEZICPGE-KRWDZBQOSA-N 0 0 451.571 4.665 20 0 JJADRN O=S(=O)(NCc1cccc(F)c1)c1cccc(CNCc2cc(Cl)ccc2Cl)c1 ZINC001461099137 1067781768 /nfs/dbraw/zinc/78/17/68/1067781768.db2.gz FDZRJFHAVAJTCP-UHFFFAOYSA-N 0 0 453.366 4.901 20 0 JJADRN C[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(N2CCNC2=O)cc1 ZINC001461102584 1067782346 /nfs/dbraw/zinc/78/23/46/1067782346.db2.gz AHNWYUACSPQVMO-CQSZACIVSA-N 0 0 459.424 4.866 20 0 JJADRN Cc1c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cnn1-c1cccc(C)c1 ZINC001461102195 1067782402 /nfs/dbraw/zinc/78/24/02/1067782402.db2.gz ZXVPIZYJTBGQRI-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001461103912 1067782429 /nfs/dbraw/zinc/78/24/29/1067782429.db2.gz GLMWVUSDQNTSOZ-NTKDMRAZSA-N 0 0 450.560 4.996 20 0 JJADRN O=C(OCc1cc(F)cc(N2CCOCC2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001461106233 1067782786 /nfs/dbraw/zinc/78/27/86/1067782786.db2.gz DSTSIOLDSGEFEC-UHFFFAOYSA-N 0 0 450.297 4.512 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC001461109029 1067783364 /nfs/dbraw/zinc/78/33/64/1067783364.db2.gz YYHSXNGSHBSISS-UHFFFAOYSA-N 0 0 453.174 4.877 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@H]1COc2ccc(Br)cc21 ZINC001461110210 1067783734 /nfs/dbraw/zinc/78/37/34/1067783734.db2.gz BDXXIFJFFGZAEG-SJCJKPOMSA-N 0 0 457.221 4.965 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@@H]1COc2ccc(Br)cc21 ZINC001461110211 1067783766 /nfs/dbraw/zinc/78/37/66/1067783766.db2.gz BDXXIFJFFGZAEG-SJKOYZFVSA-N 0 0 457.221 4.965 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC001461110981 1067784200 /nfs/dbraw/zinc/78/42/00/1067784200.db2.gz CIDQMGFUCARPON-MRXNPFEDSA-N 0 0 458.345 4.735 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cc2cc(Br)ccc2o1 ZINC001461116795 1067784355 /nfs/dbraw/zinc/78/43/55/1067784355.db2.gz XBIVOCYRWRCMCW-UHFFFAOYSA-N 0 0 451.386 4.562 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc2c(Br)cnn2c1 ZINC001461117172 1067784833 /nfs/dbraw/zinc/78/48/33/1067784833.db2.gz WQWLPYJENULLNZ-MRXNPFEDSA-N 0 0 455.209 4.751 20 0 JJADRN O=C(NCc1ccccc1)[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001461119004 1067784901 /nfs/dbraw/zinc/78/49/01/1067784901.db2.gz SASSYVDFOJSXFW-KRWDZBQOSA-N 0 0 459.493 4.607 20 0 JJADRN CCOC(=O)c1nc2ccccc2cc1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001461122428 1067785740 /nfs/dbraw/zinc/78/57/40/1067785740.db2.gz XNKNTWSLBJPSIK-UHFFFAOYSA-N 0 0 456.524 4.776 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3cnc(-c4ccc(Br)s4)nc3)cn2)CC1 ZINC001461124368 1067786064 /nfs/dbraw/zinc/78/60/64/1067786064.db2.gz IRXOFQUWXDSAAA-UHFFFAOYSA-N 0 0 458.385 4.851 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]3C)c2)cs1 ZINC001461125112 1067786084 /nfs/dbraw/zinc/78/60/84/1067786084.db2.gz PZNGXJRHIDBUNG-IKGGRYGDSA-N 0 0 459.612 4.889 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)C2)c1 ZINC001461124892 1067786096 /nfs/dbraw/zinc/78/60/96/1067786096.db2.gz CVVWQHRXGDUIJA-INIZCTEOSA-N 0 0 454.983 4.966 20 0 JJADRN COc1cc(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc(Br)c1OC ZINC001461124760 1067786135 /nfs/dbraw/zinc/78/61/35/1067786135.db2.gz BLRPSCSPAAAYJU-UHFFFAOYSA-N 0 0 454.733 4.891 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)nnc1-c1ccccc1 ZINC001461124426 1067786179 /nfs/dbraw/zinc/78/61/79/1067786179.db2.gz OVLMIVAKNDRBFZ-TYPHKJRUSA-N 0 0 456.656 4.919 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)Nc1cnc(-c3ccc(Br)s3)nc1)=C2 ZINC001461127057 1067786503 /nfs/dbraw/zinc/78/65/03/1067786503.db2.gz XGGVOBLRQSICKO-UHFFFAOYSA-N 0 0 458.337 4.781 20 0 JJADRN CC(C)(C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001461129835 1067787053 /nfs/dbraw/zinc/78/70/53/1067787053.db2.gz VWANOZSOIXYIKY-UHFFFAOYSA-N 0 0 456.376 4.703 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)[C@@H]1SC ZINC001461134926 1067787490 /nfs/dbraw/zinc/78/74/90/1067787490.db2.gz GQEWRLMPOORRBD-SBHAEUEKSA-N 0 0 489.066 4.705 20 0 JJADRN CC[C@@H](C)[C@H](NCc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148276 1067789637 /nfs/dbraw/zinc/78/96/37/1067789637.db2.gz IGYGCFDSEOQMCZ-KUHUBIRLSA-N 0 0 451.434 4.649 20 0 JJADRN Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCc2cc(Cl)ccc2Br)CC3)c1 ZINC001461147904 1067789651 /nfs/dbraw/zinc/78/96/51/1067789651.db2.gz LRNCPJGTJTUMFU-OAHLLOKOSA-N 0 0 459.775 4.548 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC001461155975 1067790705 /nfs/dbraw/zinc/79/07/05/1067790705.db2.gz HOYWNPWYRRLZJX-UHFFFAOYSA-N 0 0 454.929 4.885 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)[C@@H]1COc2ccc(Br)cc21 ZINC001461160108 1067791366 /nfs/dbraw/zinc/79/13/66/1067791366.db2.gz ZMJFVOOBHDZOSC-OAQYLSRUSA-N 0 0 456.311 4.960 20 0 JJADRN C[C@H](C(=O)N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(F)cc1F ZINC001461165944 1067791655 /nfs/dbraw/zinc/79/16/55/1067791655.db2.gz HURNHYRRNVZKGM-MHECFPHRSA-N 0 0 453.485 4.513 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)c(C)c12 ZINC001461166295 1067791765 /nfs/dbraw/zinc/79/17/65/1067791765.db2.gz IFZANEMAFPGNNB-UHFFFAOYSA-N 0 0 456.852 4.717 20 0 JJADRN CC/C(=C\C(=O)Nc1cc(I)sc1C(=O)OC)c1ccc(C)cc1 ZINC001461176397 1067793054 /nfs/dbraw/zinc/79/30/54/1067793054.db2.gz VZUXHBGRVVYAMY-FMIVXFBMSA-N 0 0 455.317 4.880 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001461179197 1067793323 /nfs/dbraw/zinc/79/33/23/1067793323.db2.gz ODLHACLLEKLVGO-KBPBESRZSA-N 0 0 450.366 4.813 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c(Cl)c1 ZINC001461178466 1067793526 /nfs/dbraw/zinc/79/35/26/1067793526.db2.gz KSZSHFFFMXBCSQ-UHFFFAOYSA-N 0 0 459.355 4.685 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)c(Cl)c1 ZINC001461177748 1067793542 /nfs/dbraw/zinc/79/35/42/1067793542.db2.gz HTMMFBSDUIQBEY-UHFFFAOYSA-N 0 0 455.305 4.641 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2ccc(F)cc2)C(C)C)CCOCC1 ZINC001546122276 1067793925 /nfs/dbraw/zinc/79/39/25/1067793925.db2.gz DYWSERNDTCCMOX-UHFFFAOYSA-N 0 0 480.588 4.686 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)[C@@H](C)C(=O)N1C ZINC001461182533 1067794292 /nfs/dbraw/zinc/79/42/92/1067794292.db2.gz HGYSPLKJZCULJU-QYZOEREBSA-N 0 0 451.998 4.742 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001461186242 1067795021 /nfs/dbraw/zinc/79/50/21/1067795021.db2.gz SABNFAKNOGKMPI-UHFFFAOYSA-N 0 0 459.477 4.558 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC001461186640 1067795245 /nfs/dbraw/zinc/79/52/45/1067795245.db2.gz WUWXBLJPPZALGL-JTSKRJEESA-N 0 0 458.514 4.899 20 0 JJADRN Cn1c(CC(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)nnc1-c1ccccc1 ZINC001461186547 1067795269 /nfs/dbraw/zinc/79/52/69/1067795269.db2.gz UMPMVGULPWMUMY-UHFFFAOYSA-N 0 0 456.731 4.627 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@H](C)C(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001461188076 1067795631 /nfs/dbraw/zinc/79/56/31/1067795631.db2.gz GCFARXNAFABIBC-JLMWRMLUSA-N 0 0 456.608 4.635 20 0 JJADRN O=C(Nc1nc(-c2cccnc2Cl)ns1)c1ccccc1OCCOc1ccccc1 ZINC001461192727 1067796487 /nfs/dbraw/zinc/79/64/87/1067796487.db2.gz UOVFOAUXRNJNBC-UHFFFAOYSA-N 0 0 452.923 4.964 20 0 JJADRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461195399 1067797514 /nfs/dbraw/zinc/79/75/14/1067797514.db2.gz XDOVSJNVLXDSJK-FHLIZLRMSA-N 0 0 476.415 4.757 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cnc2ncc(Br)cc2c1 ZINC001461200116 1067798271 /nfs/dbraw/zinc/79/82/71/1067798271.db2.gz BXWJOGBSQAFTCA-UHFFFAOYSA-N 0 0 452.230 4.710 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc4c(c3)OC(F)(F)O4)s2)c(F)c1 ZINC001461200454 1067798282 /nfs/dbraw/zinc/79/82/82/1067798282.db2.gz UWFYKQUIZVIVJX-UHFFFAOYSA-N 0 0 450.438 4.860 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001461206338 1067799368 /nfs/dbraw/zinc/79/93/68/1067799368.db2.gz PMXPHVRMYZHIJN-UHFFFAOYSA-N 0 0 457.239 4.892 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C3CCCC3)c2)cc1Br ZINC001461215646 1067801235 /nfs/dbraw/zinc/80/12/35/1067801235.db2.gz NXTAFIXZZQUTOQ-UHFFFAOYSA-N 0 0 452.370 4.576 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001461217452 1067801733 /nfs/dbraw/zinc/80/17/33/1067801733.db2.gz HVKJHISSIZTGJY-ACJLOTCBSA-N 0 0 457.470 4.588 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001461219801 1067802298 /nfs/dbraw/zinc/80/22/98/1067802298.db2.gz LYARRMZVZKHBRF-IINYFYTJSA-N 0 0 450.244 4.806 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001461227154 1067804419 /nfs/dbraw/zinc/80/44/19/1067804419.db2.gz DMVPIZGFMBTHKR-QGZVFWFLSA-N 0 0 456.505 4.769 20 0 JJADRN CC(C)c1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)n(Cc2ccccc2)n1 ZINC001461238940 1067807039 /nfs/dbraw/zinc/80/70/39/1067807039.db2.gz JSYDYMXYEZKNDH-UHFFFAOYSA-N 0 0 458.606 4.865 20 0 JJADRN COc1ccc(Cn2cc(C(=O)Nc3cc(C(C)C)nn3Cc3ccccc3)cn2)cc1OC ZINC001461237635 1067807057 /nfs/dbraw/zinc/80/70/57/1067807057.db2.gz GBLRUZGMXSVWBP-UHFFFAOYSA-N 0 0 459.550 4.569 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@H]2CCC3(CCCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461246499 1067808764 /nfs/dbraw/zinc/80/87/64/1067808764.db2.gz UIXJGAYARUWRQD-MSOLQXFVSA-N 0 0 451.995 4.607 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461247725 1067809356 /nfs/dbraw/zinc/80/93/56/1067809356.db2.gz XLMJCGPLARXVMJ-UHFFFAOYSA-N 0 0 456.814 4.908 20 0 JJADRN CCc1ccc([C@H](NCc2ccc(OC)c(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461250775 1067809903 /nfs/dbraw/zinc/80/99/03/1067809903.db2.gz AJNQYYSIOGGKQS-VWLOTQADSA-N 0 0 453.604 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC001461250525 1067810096 /nfs/dbraw/zinc/81/00/96/1067810096.db2.gz ZZACNGQBXBWKBQ-UHFFFAOYSA-N 0 0 457.615 4.972 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NCc2ccn(-c3ccccc3)n2)c2ccc(Cl)cc2)c1 ZINC001461253182 1067810283 /nfs/dbraw/zinc/81/02/83/1067810283.db2.gz FFLDSTVBYJQYCR-DEOSSOPVSA-N 0 0 451.979 4.808 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001461256604 1067811569 /nfs/dbraw/zinc/81/15/69/1067811569.db2.gz VFHXNRLAOVRSLA-QFIPXVFZSA-N 0 0 457.617 4.986 20 0 JJADRN COc1cccc(C(NCc2cn(-c3ccc(F)cc3Cl)nn2)c2cccc(OC)c2)c1 ZINC001461257950 1067812060 /nfs/dbraw/zinc/81/20/60/1067812060.db2.gz UFITVILFZJEQSQ-UHFFFAOYSA-N 0 0 452.917 4.956 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001546122824 1067812096 /nfs/dbraw/zinc/81/20/96/1067812096.db2.gz YXBKFPGCKCYJBY-QFIPXVFZSA-N 0 0 488.076 4.990 20 0 JJADRN CN(C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)c1ncc(Br)s1 ZINC001461271205 1067815053 /nfs/dbraw/zinc/81/50/53/1067815053.db2.gz UMTQJEHSIHNXJO-UHFFFAOYSA-N 0 0 455.765 4.580 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)c2ccccc21 ZINC001461280017 1067816653 /nfs/dbraw/zinc/81/66/53/1067816653.db2.gz BMRVOIPTNJCINU-WOJBJXKFSA-N 0 0 455.576 4.627 20 0 JJADRN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001461278258 1067816711 /nfs/dbraw/zinc/81/67/11/1067816711.db2.gz PAUVWQMSOJQPHP-HXUWFJFHSA-N 0 0 450.535 4.806 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC001461280038 1067816962 /nfs/dbraw/zinc/81/69/62/1067816962.db2.gz BVPFSJUMMGINJL-SJORKVTESA-N 0 0 452.498 4.879 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)c2ccccc21 ZINC001461281798 1067817068 /nfs/dbraw/zinc/81/70/68/1067817068.db2.gz GUOYXKPCNRBBMS-RPBOFIJWSA-N 0 0 458.558 4.890 20 0 JJADRN O=C(NCc1nc(CNCc2cc3cc(Br)ccc3o2)cs1)c1ccccc1 ZINC001461283825 1067817542 /nfs/dbraw/zinc/81/75/42/1067817542.db2.gz IBLXQIQFXIXZHA-UHFFFAOYSA-N 0 0 456.365 4.872 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001461286301 1067817973 /nfs/dbraw/zinc/81/79/73/1067817973.db2.gz FPZAZEPYJYJSKB-ZWKOTPCHSA-N 0 0 450.539 4.650 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001461284482 1067818160 /nfs/dbraw/zinc/81/81/60/1067818160.db2.gz AFMQKMBRLFDSKZ-KGLIPLIRSA-N 0 0 453.370 4.697 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001461289072 1067818827 /nfs/dbraw/zinc/81/88/27/1067818827.db2.gz XNHFNBFWVKUMQN-FGZHOGPDSA-N 0 0 450.579 4.763 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001461290330 1067819425 /nfs/dbraw/zinc/81/94/25/1067819425.db2.gz PPYCOACDCWIAER-NVXWUHKLSA-N 0 0 451.995 4.964 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2cc(Br)ncc2Cl)c2ccccc21 ZINC001461290035 1067819514 /nfs/dbraw/zinc/81/95/14/1067819514.db2.gz HJPOMXHZGLQKFC-CJNGLKHVSA-N 0 0 451.748 4.798 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1F ZINC001461291444 1067819764 /nfs/dbraw/zinc/81/97/64/1067819764.db2.gz DTYJGUXCPLYSDO-CHWSQXEVSA-N 0 0 459.356 4.505 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]3C)cc2s1 ZINC001461290344 1067819949 /nfs/dbraw/zinc/81/99/49/1067819949.db2.gz PRWWXRKWOHQKNG-UONOGXRCSA-N 0 0 452.646 4.722 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1nccc(Br)c1Cl ZINC001461295632 1067820589 /nfs/dbraw/zinc/82/05/89/1067820589.db2.gz SQKQLNJUXZABCJ-OLZOCXBDSA-N 0 0 456.724 4.700 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nccc(Br)c1Cl ZINC001461295606 1067820627 /nfs/dbraw/zinc/82/06/27/1067820627.db2.gz SAKMUIXYYBJSQT-OAHLLOKOSA-N 0 0 454.752 4.777 20 0 JJADRN Cc1noc(-c2ccccc2C(=O)N(C)c2nccc(-c3sccc3Br)n2)n1 ZINC001461297749 1067821399 /nfs/dbraw/zinc/82/13/99/1067821399.db2.gz PBLZTGUBIQYIER-UHFFFAOYSA-N 0 0 456.325 4.603 20 0 JJADRN CCn1cc(N(CC(C)C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC001461298547 1067821604 /nfs/dbraw/zinc/82/16/04/1067821604.db2.gz CAKWCFKANNCJDQ-KRWDZBQOSA-N 0 0 451.398 4.751 20 0 JJADRN O=C(COc1ccc2c(c1)CCC2)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461299877 1067822225 /nfs/dbraw/zinc/82/22/25/1067822225.db2.gz GFDOUIKHLWCQGE-UHFFFAOYSA-N 0 0 456.258 4.761 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(CNc3cc(C(=O)N4CCCC4)ccc3OC)c2)cc1 ZINC001461300778 1067822492 /nfs/dbraw/zinc/82/24/92/1067822492.db2.gz YTJRMLRRIUOWBP-UHFFFAOYSA-N 0 0 459.546 4.804 20 0 JJADRN O=C(c1cccc2cc(=O)[nH]cc21)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461301868 1067822616 /nfs/dbraw/zinc/82/26/16/1067822616.db2.gz AOAWQZKJHIPUFV-UHFFFAOYSA-N 0 0 453.214 4.761 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NCc2cnc(-c3ccc(Br)cc3)s2)cc1 ZINC001461305147 1067823625 /nfs/dbraw/zinc/82/36/25/1067823625.db2.gz CLBUMORSPYYBBL-UHFFFAOYSA-N 0 0 452.399 4.946 20 0 JJADRN CCc1nc(COc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)no1 ZINC001461307292 1067824349 /nfs/dbraw/zinc/82/43/49/1067824349.db2.gz QYAUHCNPJXJXBB-UHFFFAOYSA-N 0 0 456.340 4.783 20 0 JJADRN COCCN(C(=O)/C=C(\C)c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461308213 1067824666 /nfs/dbraw/zinc/82/46/66/1067824666.db2.gz DFEMGXOCAVRKBW-CZIZESTLSA-N 0 0 454.542 4.505 20 0 JJADRN Cc1csc(C(=O)Nc2ccccc2Sc2ncccn2)c1I ZINC001461309135 1067825008 /nfs/dbraw/zinc/82/50/08/1067825008.db2.gz FOQZMDCCPSKIHO-UHFFFAOYSA-N 0 0 453.330 4.855 20 0 JJADRN Ic1cnc(CNc2ccc(N3CCc4sccc4C3)cc2)s1 ZINC001461309367 1067825067 /nfs/dbraw/zinc/82/50/67/1067825067.db2.gz SGEKORGWVFCGFO-UHFFFAOYSA-N 0 0 453.374 4.984 20 0 JJADRN COc1cc(CNc2cccc(C(=O)N3CCSCC3)c2C)ccc1OCC(F)(F)F ZINC001461313676 1067826108 /nfs/dbraw/zinc/82/61/08/1067826108.db2.gz MOOAYSLULJDBGS-UHFFFAOYSA-N 0 0 454.514 4.746 20 0 JJADRN Cc1cc(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461313367 1067826155 /nfs/dbraw/zinc/82/61/55/1067826155.db2.gz BPTGMBVINGMFOJ-OAQYLSRUSA-N 0 0 452.477 4.785 20 0 JJADRN Cn1ncc(Br)c1CN[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001461322272 1067827593 /nfs/dbraw/zinc/82/75/93/1067827593.db2.gz AEIUOMUNUSFWSK-GOSISDBHSA-N 0 0 453.153 4.963 20 0 JJADRN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001461322167 1067827726 /nfs/dbraw/zinc/82/77/26/1067827726.db2.gz WBXKAGAJVYKVKP-LVXARBLLSA-N 0 0 454.998 4.581 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)c1cc(Br)ncc1Cl)c1ccccc1 ZINC001461323907 1067828051 /nfs/dbraw/zinc/82/80/51/1067828051.db2.gz AQVDANXAEFOLGF-FQEVSTJZSA-N 0 0 453.764 4.527 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccnn3C)c3ccccc3n2)cc1 ZINC001461325614 1067829053 /nfs/dbraw/zinc/82/90/53/1067829053.db2.gz IYTHVMGXDCLTHH-XMMPIXPASA-N 0 0 456.546 4.757 20 0 JJADRN Cc1c(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC001461327071 1067829595 /nfs/dbraw/zinc/82/95/95/1067829595.db2.gz ZOKIGDDPGJDADR-VWLOTQADSA-N 0 0 453.970 4.864 20 0 JJADRN O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC001461327715 1067829958 /nfs/dbraw/zinc/82/99/58/1067829958.db2.gz FQTNMYCYHAYLDR-AREMUKBSSA-N 0 0 451.588 4.972 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461337011 1067832114 /nfs/dbraw/zinc/83/21/14/1067832114.db2.gz YKQYPANAJGUKCZ-XLIONFOSSA-N 0 0 459.562 4.955 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H](OC)c1ccc(Br)s1 ZINC001461338320 1067832429 /nfs/dbraw/zinc/83/24/29/1067832429.db2.gz BLOUXOBADQAWRB-AUUYWEPGSA-N 0 0 454.386 4.751 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC001461338804 1067833060 /nfs/dbraw/zinc/83/30/60/1067833060.db2.gz CEIKKUUIHRUOOX-KRWDZBQOSA-N 0 0 458.356 4.503 20 0 JJADRN O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCCc2nc(Br)ccc21 ZINC001461341468 1067833760 /nfs/dbraw/zinc/83/37/60/1067833760.db2.gz AFPAENBZAISBOI-UHFFFAOYSA-N 0 0 451.246 4.642 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)OCC23CCC3)nnc1-c1ccc(Cl)cc1Cl ZINC001461340867 1067833873 /nfs/dbraw/zinc/83/38/73/1067833873.db2.gz IVIXYNXNFSJFFZ-CYBMUJFWSA-N 0 0 455.411 4.534 20 0 JJADRN CCCCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@H]1CCc2ncsc2C1 ZINC001461348758 1067835889 /nfs/dbraw/zinc/83/58/89/1067835889.db2.gz RECOPXIDPAVPHI-INIZCTEOSA-N 0 0 459.413 4.891 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001461349768 1067836052 /nfs/dbraw/zinc/83/60/52/1067836052.db2.gz YWMVMHAKGJVGCN-GOSISDBHSA-N 0 0 458.430 4.972 20 0 JJADRN CCCCN(C(=O)c1cccc(I)c1C)[C@H]1CCc2ncsc2C1 ZINC001461350143 1067836066 /nfs/dbraw/zinc/83/60/66/1067836066.db2.gz ZHXBEZMVRRWYBZ-AWEZNQCLSA-N 0 0 454.377 4.856 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC2(CC1)C(F)(F)C2(F)F)C1CCCCCC1 ZINC001461352158 1067836438 /nfs/dbraw/zinc/83/64/38/1067836438.db2.gz ILHBUVOPDQBQIM-MRXNPFEDSA-N 0 0 450.517 4.991 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c(Cl)c1 ZINC001461358093 1067837574 /nfs/dbraw/zinc/83/75/74/1067837574.db2.gz CKVQHJFZHDTFGS-QGZVFWFLSA-N 0 0 451.951 4.570 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461357945 1067837798 /nfs/dbraw/zinc/83/77/98/1067837798.db2.gz BWVOZXMUADAHFS-MAUKXSAKSA-N 0 0 456.505 4.911 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2cn3c(cccc3C)n2)cc1 ZINC001461358691 1067838147 /nfs/dbraw/zinc/83/81/47/1067838147.db2.gz DAJARONXFIIOMQ-UHFFFAOYSA-N 0 0 458.587 4.654 20 0 JJADRN CC(C)c1cccc(NC(=O)COC(=O)c2cnc(Br)c(Br)c2)c1 ZINC001461366530 1067839863 /nfs/dbraw/zinc/83/98/63/1067839863.db2.gz AADSVYNMDKWIJZ-UHFFFAOYSA-N 0 0 456.134 4.526 20 0 JJADRN CCOc1cc(CNc2cc(C)n(-c3cc(C)cc(C)c3)n2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461376782 1067841496 /nfs/dbraw/zinc/84/14/96/1067841496.db2.gz BEPROIIHMQTZKL-HXUWFJFHSA-N 0 0 450.583 4.664 20 0 JJADRN CC[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)[C@@H](CC)CO1 ZINC001461384591 1067843760 /nfs/dbraw/zinc/84/37/60/1067843760.db2.gz ZGQUGSFANWPDIB-GJZGRUSLSA-N 0 0 457.427 4.780 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(F)(F)F ZINC001461385090 1067843895 /nfs/dbraw/zinc/84/38/95/1067843895.db2.gz FGYZUWODFVBLPL-FQEVSTJZSA-N 0 0 459.468 4.770 20 0 JJADRN CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)[C@H](CC)CO1 ZINC001461384592 1067843915 /nfs/dbraw/zinc/84/39/15/1067843915.db2.gz ZGQUGSFANWPDIB-HUUCEWRRSA-N 0 0 457.427 4.780 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(F)(F)F ZINC001461386581 1067844323 /nfs/dbraw/zinc/84/43/23/1067844323.db2.gz KULDPUOMOOVPRO-AWEZNQCLSA-N 0 0 451.228 4.795 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2cnc3ccccn23)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461387236 1067844615 /nfs/dbraw/zinc/84/46/15/1067844615.db2.gz JQBFNWHGCFJZRO-UHFFFAOYSA-N 0 0 454.408 4.623 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461387635 1067844674 /nfs/dbraw/zinc/84/46/74/1067844674.db2.gz USEWBSPCWYDMTL-JXALWOEJSA-N 0 0 458.624 4.598 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461388831 1067845133 /nfs/dbraw/zinc/84/51/33/1067845133.db2.gz YSXPJAKXAKMUKI-WOJBJXKFSA-N 0 0 456.542 4.967 20 0 JJADRN COCc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)cc1C(F)(F)F ZINC001461395759 1067845412 /nfs/dbraw/zinc/84/54/12/1067845412.db2.gz YPFQYPKKKXSENA-VGOFRKELSA-N 0 0 475.467 4.762 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H]2CCCC[C@H]12 ZINC001461393996 1067845456 /nfs/dbraw/zinc/84/54/56/1067845456.db2.gz IIHPKLDTXAZJMW-AQNXPRMDSA-N 0 0 452.389 4.579 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H]2CCCC[C@@H]12 ZINC001461394015 1067845522 /nfs/dbraw/zinc/84/55/22/1067845522.db2.gz IIHPKLDTXAZJMW-ZCNNSNEGSA-N 0 0 452.389 4.579 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001461396753 1067845864 /nfs/dbraw/zinc/84/58/64/1067845864.db2.gz JGAVXHKIIATLFA-NRFANRHFSA-N 0 0 452.671 4.647 20 0 JJADRN C[C@]1(CCNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C[C@]1(F)Cl ZINC001461397501 1067846229 /nfs/dbraw/zinc/84/62/29/1067846229.db2.gz UFWXDSGKJAGVNZ-VQTJNVASSA-N 0 0 454.771 4.948 20 0 JJADRN COC[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)c1cccc(OC)c1 ZINC001461399093 1067846348 /nfs/dbraw/zinc/84/63/48/1067846348.db2.gz JSQFLJUFFGDROH-MRXNPFEDSA-N 0 0 450.226 4.733 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC001461400921 1067846667 /nfs/dbraw/zinc/84/66/67/1067846667.db2.gz POYAWVBWFCDRIK-KRWDZBQOSA-N 0 0 458.942 4.598 20 0 JJADRN COC[C@@H](NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1cccc(OC)c1 ZINC001461401481 1067846707 /nfs/dbraw/zinc/84/67/07/1067846707.db2.gz RFCDCNIFPVZIDF-GOSISDBHSA-N 0 0 450.482 4.879 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)cc1 ZINC001461404081 1067847173 /nfs/dbraw/zinc/84/71/73/1067847173.db2.gz BAIUVNAFTUJJLT-OAQYLSRUSA-N 0 0 459.384 4.535 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3ccc(Br)cc3F)cc2C1 ZINC001461401618 1067847312 /nfs/dbraw/zinc/84/73/12/1067847312.db2.gz YRSSXEQCMONBJV-MRXNPFEDSA-N 0 0 450.352 4.977 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC001461411864 1067849098 /nfs/dbraw/zinc/84/90/98/1067849098.db2.gz ORIDYCHNROFSPU-UHFFFAOYSA-N 0 0 455.433 4.669 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)nc2)c1 ZINC001461412816 1067849721 /nfs/dbraw/zinc/84/97/21/1067849721.db2.gz VQUXRABLYRPGQP-UHFFFAOYSA-N 0 0 450.539 4.994 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001461417072 1067850691 /nfs/dbraw/zinc/85/06/91/1067850691.db2.gz SDWHELBNGYAYMV-HTAPYJJXSA-N 0 0 450.432 4.774 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001461416906 1067850992 /nfs/dbraw/zinc/85/09/92/1067850992.db2.gz PFROFMQGDCRPLD-UZUQRXQVSA-N 0 0 454.533 4.984 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001461417405 1067851005 /nfs/dbraw/zinc/85/10/05/1067851005.db2.gz SDWHELBNGYAYMV-VGOFRKELSA-N 0 0 450.432 4.774 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001461417416 1067851357 /nfs/dbraw/zinc/85/13/57/1067851357.db2.gz SKVCMGPOKYREGC-VQIMIIECSA-N 0 0 452.439 4.783 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001461418352 1067851550 /nfs/dbraw/zinc/85/15/50/1067851550.db2.gz JWVCCZWVUFOVNL-SCLBCKFNSA-N 0 0 452.473 4.736 20 0 JJADRN CC(C)(C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461419088 1067851842 /nfs/dbraw/zinc/85/18/42/1067851842.db2.gz NFEMIGRKNRHOJD-WFASDCNBSA-N 0 0 452.407 4.522 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001461427771 1067853673 /nfs/dbraw/zinc/85/36/73/1067853673.db2.gz HOQVEGRNQFRVQX-INIZCTEOSA-N 0 0 459.534 4.551 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)cc1Cl ZINC001461430297 1067854396 /nfs/dbraw/zinc/85/43/96/1067854396.db2.gz FLTRZMYFMGHFBS-UHFFFAOYSA-N 0 0 459.370 4.974 20 0 JJADRN Cc1cc(Br)cc(NCc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461431779 1067854799 /nfs/dbraw/zinc/85/47/99/1067854799.db2.gz DCUWQUHALQFIJW-KRWDZBQOSA-N 0 0 450.381 4.533 20 0 JJADRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1ccc(Br)cc1Br ZINC001461433874 1067855401 /nfs/dbraw/zinc/85/54/01/1067855401.db2.gz UIVAHEVBSSDBKW-ZDUSSCGKSA-N 0 0 459.100 4.832 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cncc(OCC(F)(F)F)n3)cc12 ZINC001461437283 1067856232 /nfs/dbraw/zinc/85/62/32/1067856232.db2.gz KNUHJFCAYSKMFR-UHFFFAOYSA-N 0 0 451.405 4.518 20 0 JJADRN CN(C(=O)CCN1C(=O)COc2cc(Br)ccc21)C1CC(C)(C)CC(C)(C)C1 ZINC001461441527 1067857346 /nfs/dbraw/zinc/85/73/46/1067857346.db2.gz UYLQXRXLVIVXDI-UHFFFAOYSA-N 0 0 451.405 4.628 20 0 JJADRN CC(C)(C)n1cc(C(=O)Nc2cncc(OCC(F)(F)F)n2)c(-c2ccccc2Cl)n1 ZINC001461440196 1067857364 /nfs/dbraw/zinc/85/73/64/1067857364.db2.gz SFUBLBZTHABYOA-UHFFFAOYSA-N 0 0 453.852 4.942 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001461443447 1067857720 /nfs/dbraw/zinc/85/77/20/1067857720.db2.gz JXHWLLSOTBYMEK-RBBKRZOGSA-N 0 0 457.477 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccnc2ccccc12 ZINC001461445033 1067858114 /nfs/dbraw/zinc/85/81/14/1067858114.db2.gz FSPYDJPYAGTGAV-XMMPIXPASA-N 0 0 458.562 4.511 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461444915 1067858175 /nfs/dbraw/zinc/85/81/75/1067858175.db2.gz MQFGIDCEXBWMHE-QXCFHYIPSA-N 0 0 474.470 4.574 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)CCC2 ZINC001461444212 1067858187 /nfs/dbraw/zinc/85/81/87/1067858187.db2.gz RCBKNGZYRLRFSY-GOSISDBHSA-N 0 0 456.970 4.961 20 0 JJADRN COc1cccc(NCc2c(F)ccc(I)c2F)c1Br ZINC001461446816 1067858555 /nfs/dbraw/zinc/85/85/55/1067858555.db2.gz HCLIKLWIGGVITQ-UHFFFAOYSA-N 0 0 454.052 4.953 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461449718 1067859383 /nfs/dbraw/zinc/85/93/83/1067859383.db2.gz UNUIIBDCHWEXBP-RDTXWAMCSA-N 0 0 455.908 4.546 20 0 JJADRN C[C@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)C[C@H](C)O1 ZINC001461458876 1067861946 /nfs/dbraw/zinc/86/19/46/1067861946.db2.gz FUHXIPJRULJHEF-OALUTQOASA-N 0 0 452.599 4.601 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c(Cl)n1 ZINC001461465739 1067863770 /nfs/dbraw/zinc/86/37/70/1067863770.db2.gz AHTJTGHYNKGKCN-WOJBJXKFSA-N 0 0 461.965 4.634 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)c1Cl ZINC001461467332 1067864056 /nfs/dbraw/zinc/86/40/56/1067864056.db2.gz SCAIVGIQKBTBQL-INIZCTEOSA-N 0 0 450.992 4.515 20 0 JJADRN CCc1nc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)nn1-c1ccccc1Cl ZINC001461467504 1067864450 /nfs/dbraw/zinc/86/44/50/1067864450.db2.gz BQYXXWIVXHRZOG-QHCPKHFHSA-N 0 0 459.377 4.658 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461467408 1067864527 /nfs/dbraw/zinc/86/45/27/1067864527.db2.gz APYZLZAEPUXMKZ-BTYIYWSLSA-N 0 0 456.892 4.895 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461467634 1067864555 /nfs/dbraw/zinc/86/45/55/1067864555.db2.gz MTHOPDKXWWFCQV-CTUHWIOQSA-N 0 0 470.585 4.683 20 0 JJADRN COc1ccc(C(F)(F)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001461468645 1067864885 /nfs/dbraw/zinc/86/48/85/1067864885.db2.gz PDDNQUMGJJPFGY-NHCUHLMSSA-N 0 0 478.511 4.836 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCc2cccs2)cc1F ZINC001461468719 1067864921 /nfs/dbraw/zinc/86/49/21/1067864921.db2.gz BLCDEHLQLRKSEW-ICSRJNTNSA-N 0 0 462.587 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccnc(-c3ccccc3)n2)C1 ZINC001461470749 1067865708 /nfs/dbraw/zinc/86/57/08/1067865708.db2.gz MPEMFQLFXDXINQ-FYYLOGMGSA-N 0 0 476.552 4.806 20 0 JJADRN COc1ccc(NCc2cn(-c3ccc(Br)cc3)nc2C(C)C)cc1NC(N)=O ZINC001461470441 1067865764 /nfs/dbraw/zinc/86/57/64/1067865764.db2.gz MDNVYEAPTANPRB-UHFFFAOYSA-N 0 0 458.360 4.870 20 0 JJADRN Cc1cc(CNCc2nc(Cl)ccc2Br)ccc1I ZINC001461471301 1067866076 /nfs/dbraw/zinc/86/60/76/1067866076.db2.gz JXTJZBTXENFROI-UHFFFAOYSA-N 0 0 451.533 4.700 20 0 JJADRN Clc1ccc(OC[C@H]2CCCO2)c(CNc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC001461471311 1067866100 /nfs/dbraw/zinc/86/61/00/1067866100.db2.gz JZLJQHIMZCIFOP-OAQYLSRUSA-N 0 0 451.394 4.996 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N[C@H]2CSCc3ccc(Br)cc32)cc1OC ZINC001461471637 1067866112 /nfs/dbraw/zinc/86/61/12/1067866112.db2.gz RFGCGTCIECDNNO-KRWDZBQOSA-N 0 0 450.398 4.848 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)no1 ZINC001461471697 1067866146 /nfs/dbraw/zinc/86/61/46/1067866146.db2.gz RPJNFMLCSPCBBH-IQGLISFBSA-N 0 0 457.640 4.965 20 0 JJADRN CCCCSCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001461472052 1067866179 /nfs/dbraw/zinc/86/61/79/1067866179.db2.gz PTQZMOKEQHBEKJ-HKUYNNGSSA-N 0 0 454.608 4.577 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C\c2ccccc2F)cc1F ZINC001461471748 1067866194 /nfs/dbraw/zinc/86/61/94/1067866194.db2.gz NOVHQFWAICMIJY-ABCISPHWSA-N 0 0 472.532 4.896 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461472612 1067866623 /nfs/dbraw/zinc/86/66/23/1067866623.db2.gz BQHFFXMUEWWWJP-UYAOXDASSA-N 0 0 460.521 4.696 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H](C)Cc2ccccc2)cc1F ZINC001461473007 1067867020 /nfs/dbraw/zinc/86/70/20/1067867020.db2.gz QFAVXKSXNDMFOK-JZWVFAODSA-N 0 0 470.585 4.922 20 0 JJADRN COc1ccc(/C=C\C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)cc1 ZINC001461473912 1067867211 /nfs/dbraw/zinc/86/72/11/1067867211.db2.gz GMSCFFLJQIYVDN-GNNNDGSYSA-N 0 0 466.578 4.626 20 0 JJADRN CCSc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)ccn1 ZINC001461474012 1067867409 /nfs/dbraw/zinc/86/74/09/1067867409.db2.gz DPXNWDPDUCLTGL-WOJBJXKFSA-N 0 0 459.587 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)COC/C=C/c2ccccc2)C1 ZINC001461474110 1067867618 /nfs/dbraw/zinc/86/76/18/1067867618.db2.gz FQOSHSOPVRFUBW-VONCPEHPSA-N 0 0 450.579 4.626 20 0 JJADRN CCCCSCCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001461474456 1067867684 /nfs/dbraw/zinc/86/76/84/1067867684.db2.gz VPDCIWBFLSZPEW-ICSRJNTNSA-N 0 0 468.635 4.967 20 0 JJADRN CO[C@@](C)(CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)COCc1ccccc1 ZINC001461475914 1067868062 /nfs/dbraw/zinc/86/80/62/1067868062.db2.gz MHXDNSFGGXUUFB-VWLOTQADSA-N 0 0 455.986 4.553 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001461476641 1067868432 /nfs/dbraw/zinc/86/84/32/1067868432.db2.gz DNCCTUJPTQWSGX-ZDUSSCGKSA-N 0 0 452.910 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(Br)cnc2F)C1 ZINC001461477008 1067868821 /nfs/dbraw/zinc/86/88/21/1067868821.db2.gz LSAZXUJULXKQMF-SJLPKXTDSA-N 0 0 478.362 4.506 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001461478142 1067869177 /nfs/dbraw/zinc/86/91/77/1067869177.db2.gz OULYXLGUALYNNW-NHCUHLMSSA-N 0 0 471.529 4.527 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccn2c1C(=O)OC(C)(C)C)c1ccc(Br)s1 ZINC001461478766 1067869621 /nfs/dbraw/zinc/86/96/21/1067869621.db2.gz NSLYLXHFWHLEQR-NSHDSACASA-N 0 0 450.358 4.856 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCOCc2ccccc2)cc1 ZINC001461478353 1067869665 /nfs/dbraw/zinc/86/96/65/1067869665.db2.gz QMOPOSSQZFEZSW-ZEQRLZLVSA-N 0 0 468.594 4.511 20 0 JJADRN CCC[C@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)CCO1 ZINC001461478502 1067869757 /nfs/dbraw/zinc/86/97/57/1067869757.db2.gz QXXFZHLGJABGPM-KAMZKSLDSA-N 0 0 474.642 4.890 20 0 JJADRN Cc1ccc(-c2nn(C)cc2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1 ZINC001461479020 1067870023 /nfs/dbraw/zinc/87/00/23/1067870023.db2.gz PYXOPAVGWLDRSE-TZIWHRDSSA-N 0 0 464.566 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001461479049 1067870033 /nfs/dbraw/zinc/87/00/33/1067870033.db2.gz RUXQUCJVGGGRBZ-VQIMIIECSA-N 0 0 452.448 4.766 20 0 JJADRN COc1ccc(N2C[C@@H](NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)CC2=O)cc1 ZINC001461479257 1067870108 /nfs/dbraw/zinc/87/01/08/1067870108.db2.gz NTWRQNSDOMQFNB-UUOWRZLLSA-N 0 0 450.535 4.589 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001461479338 1067870469 /nfs/dbraw/zinc/87/04/69/1067870469.db2.gz HGZULSFQNLSGDH-LJCCNALRSA-N 0 0 452.542 4.664 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C(C)=C\c2ccncc2)cc1 ZINC001461481151 1067870792 /nfs/dbraw/zinc/87/07/92/1067870792.db2.gz YAUBUXYPPIRQPR-BNWIYXSQSA-N 0 0 465.594 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1 ZINC001461481517 1067871194 /nfs/dbraw/zinc/87/11/94/1067871194.db2.gz YOFOCMVBPHLZPQ-WIYYLYMNSA-N 0 0 462.949 4.767 20 0 JJADRN CCCCOc1ccc(C(=O)N[C@H](C(=O)OC)c2ccccc2Br)c(Cl)c1 ZINC001461482044 1067871353 /nfs/dbraw/zinc/87/13/53/1067871353.db2.gz GICQRUHLSBLONY-SFHVURJKSA-N 0 0 454.748 4.926 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c1I ZINC001461486895 1067872503 /nfs/dbraw/zinc/87/25/03/1067872503.db2.gz VLULKTAEOXHCQK-HNNXBMFYSA-N 0 0 453.324 4.593 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)n2)cc1 ZINC001461487348 1067872984 /nfs/dbraw/zinc/87/29/84/1067872984.db2.gz UATMMEWMKQSCRK-UHFFFAOYSA-N 0 0 453.424 4.668 20 0 JJADRN Cc1c(NCc2nc3cc(C(F)(F)F)ccc3n2C)cccc1S(=O)(=O)NC(C)(C)C ZINC001461489192 1067873542 /nfs/dbraw/zinc/87/35/42/1067873542.db2.gz DSXPBUYRKLBWRL-UHFFFAOYSA-N 0 0 454.518 4.589 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001461491319 1067874524 /nfs/dbraw/zinc/87/45/24/1067874524.db2.gz QSTVKJIHQXUATH-UHFFFAOYSA-N 0 0 455.407 4.880 20 0 JJADRN CCN(C)C(=O)c1cccc(NCc2cc(Br)c([C@@H](C)OCOC)cc2F)c1 ZINC001461491882 1067874575 /nfs/dbraw/zinc/87/45/75/1067874575.db2.gz CLSDHXBTXJKGFI-CQSZACIVSA-N 0 0 453.352 4.974 20 0 JJADRN CCOc1ccc(NCc2cccc(C)c2Br)cc1S(=O)(=O)N(CC)CC ZINC001461492731 1067875164 /nfs/dbraw/zinc/87/51/64/1067875164.db2.gz KWQVZDGARKNNLL-UHFFFAOYSA-N 0 0 455.418 4.799 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC001461493377 1067875581 /nfs/dbraw/zinc/87/55/81/1067875581.db2.gz XNJIJRASJOOTJS-UHFFFAOYSA-N 0 0 459.015 4.563 20 0 JJADRN COc1c(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc(Cl)cc1C(N)=O ZINC001461498088 1067876724 /nfs/dbraw/zinc/87/67/24/1067876724.db2.gz KHTCULXTHCCBEM-UHFFFAOYSA-N 0 0 450.926 4.595 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl)C[C@H]1CCCO1 ZINC001461502386 1067877810 /nfs/dbraw/zinc/87/78/10/1067877810.db2.gz HBVNULUAIKHMLZ-DVECYGJZSA-N 0 0 451.007 4.680 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@]3(C)Cc3ccccc3Cl)c(C)c12 ZINC001461505525 1067878048 /nfs/dbraw/zinc/87/80/48/1067878048.db2.gz NAQIYUQCSDFMGP-RUZDIDTESA-N 0 0 455.002 4.804 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001461505783 1067878291 /nfs/dbraw/zinc/87/82/91/1067878291.db2.gz OZPNFZLKKZINOO-UHFFFAOYSA-N 0 0 454.412 4.621 20 0 JJADRN CCCc1c(C(=O)Nc2cc(C)c(C)cc2OC)nnn1Cc1cccc(Br)c1 ZINC001461504203 1067878417 /nfs/dbraw/zinc/87/84/17/1067878417.db2.gz HUUCKPKSBOWJLN-UHFFFAOYSA-N 0 0 457.372 4.919 20 0 JJADRN Cn1c2ccccc2c(Br)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001461512461 1067879747 /nfs/dbraw/zinc/87/97/47/1067879747.db2.gz VPNIPPJWJUEBRX-MRXNPFEDSA-N 0 0 458.347 4.675 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@H](C)C(C)(C)CC)nnc2-c2ccncc2)cc1 ZINC001461519425 1067880610 /nfs/dbraw/zinc/88/06/10/1067880610.db2.gz DZFAJJNLOCTVOS-QGZVFWFLSA-N 0 0 453.612 4.761 20 0 JJADRN CCc1cccc2c(CC(=O)NCc3cc(Cl)ccc3I)c[nH]c21 ZINC001461530477 1067882278 /nfs/dbraw/zinc/88/22/78/1067882278.db2.gz UIRHHQYSDDIPIC-UHFFFAOYSA-N 0 0 452.723 4.847 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)c3ccc(C(C)C)cc3)CC2)cc1C ZINC001461531698 1067882402 /nfs/dbraw/zinc/88/24/02/1067882402.db2.gz LULOUQPNFDKNCQ-UHFFFAOYSA-N 0 0 456.652 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCC(c3ccco3)CC2)c2ccccc2)cc1 ZINC001461536384 1067883859 /nfs/dbraw/zinc/88/38/59/1067883859.db2.gz YIAFJPQZMIPZJM-UHFFFAOYSA-N 0 0 452.576 4.580 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CO1 ZINC001461542055 1067884921 /nfs/dbraw/zinc/88/49/21/1067884921.db2.gz KFHIOTLBBSNLRE-GGAORHGYSA-N 0 0 454.998 4.789 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 ZINC001461543460 1067885261 /nfs/dbraw/zinc/88/52/61/1067885261.db2.gz UNQDOVKIICDHRK-ZBLYBZFDSA-N 0 0 474.605 4.568 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cnn(-c3cccc(Br)c3)c2)CO1 ZINC001461544456 1067885748 /nfs/dbraw/zinc/88/57/48/1067885748.db2.gz TWUSZXDTEOKMKT-NRFANRHFSA-N 0 0 454.368 4.845 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)Nc3nccc(F)c3I)s2)c(C)c1 ZINC001461546178 1067885763 /nfs/dbraw/zinc/88/57/63/1067885763.db2.gz BWBSMBSEFSYPAY-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN O=C(Nc1ncc(F)cc1Br)c1ccc(Br)cc1Br ZINC001461548013 1067886060 /nfs/dbraw/zinc/88/60/60/1067886060.db2.gz GCOUXHPPZAXVGP-UHFFFAOYSA-N 0 0 452.903 4.761 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)c1ccc3cnccc3c1)CN(C(=O)OC(C)(C)C)C2 ZINC001461552662 1067886600 /nfs/dbraw/zinc/88/66/00/1067886600.db2.gz WJQYWUAWOMLVSI-UHFFFAOYSA-N 0 0 453.520 4.586 20 0 JJADRN Cc1ccc(CNc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1Br ZINC001461558611 1067888002 /nfs/dbraw/zinc/88/80/02/1067888002.db2.gz GCSIJHLUKQAUJN-UHFFFAOYSA-N 0 0 450.402 4.620 20 0 JJADRN CSc1nc2ccccc2c(C)c1NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001461559131 1067888133 /nfs/dbraw/zinc/88/81/33/1067888133.db2.gz OESBCEDRJCPQLA-UHFFFAOYSA-N 0 0 457.621 4.735 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NCc1ccc(OCc2ccncc2)cc1 ZINC001461562702 1067888887 /nfs/dbraw/zinc/88/88/87/1067888887.db2.gz CZUWMBKLHWUQOT-UHFFFAOYSA-N 0 0 452.454 4.575 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 ZINC001546125325 1067888898 /nfs/dbraw/zinc/88/88/98/1067888898.db2.gz BRXPWHRTZGBMPU-QZTJIDSGSA-N 0 0 460.022 4.580 20 0 JJADRN Clc1cc(Br)ccc1Cn1cc(NCc2cn(Cc3ccccc3)nn2)cn1 ZINC001461565078 1067890030 /nfs/dbraw/zinc/89/00/30/1067890030.db2.gz ROJDXRSOTLHLOL-UHFFFAOYSA-N 0 0 457.763 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3n[nH]c4ccc(Cl)cc43)cc2)C1 ZINC001461567639 1067890166 /nfs/dbraw/zinc/89/01/66/1067890166.db2.gz CWBVGPRYUZJOIO-IBGZPJMESA-N 0 0 456.930 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)Cc3nsc4ccccc34)cc2)C1 ZINC001461567664 1067890421 /nfs/dbraw/zinc/89/04/21/1067890421.db2.gz CZKZMXITAIPFOR-FQEVSTJZSA-N 0 0 453.564 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cnn(C4CCCCC4)c3)cc2)C1 ZINC001461568274 1067890705 /nfs/dbraw/zinc/89/07/05/1067890705.db2.gz JYMIVBDZRMKJKV-JOCHJYFZSA-N 0 0 454.571 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2cc(Br)ccc2F)C12CCC2 ZINC001461574311 1067891661 /nfs/dbraw/zinc/89/16/61/1067891661.db2.gz JHPXYLQJCZJYIH-QGZVFWFLSA-N 0 0 455.368 4.569 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)c1ccc(I)c(Cl)c1)CCC2 ZINC001461579177 1067892959 /nfs/dbraw/zinc/89/29/59/1067892959.db2.gz RFYAWRNZMUOZTI-UHFFFAOYSA-N 0 0 457.695 4.555 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@H](C)C2 ZINC001461580470 1067893156 /nfs/dbraw/zinc/89/31/56/1067893156.db2.gz MYVWOVLZQCCXIR-DYHNYNMBSA-N 0 0 460.361 4.557 20 0 JJADRN CCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)n1 ZINC001461580931 1067893548 /nfs/dbraw/zinc/89/35/48/1067893548.db2.gz ARBIYIJRHZWUFH-UHFFFAOYSA-N 0 0 456.285 4.840 20 0 JJADRN CC(C)Oc1cccnc1C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001461590262 1067895281 /nfs/dbraw/zinc/89/52/81/1067895281.db2.gz VYQBRXCBDMHFAR-UHFFFAOYSA-N 0 0 458.341 4.883 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](CCOC)C2)CCOCC1 ZINC001546125577 1067895309 /nfs/dbraw/zinc/89/53/09/1067895309.db2.gz HEYOWDFMMXIAIN-UXHICEINSA-N 0 0 460.594 4.627 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461590515 1067895558 /nfs/dbraw/zinc/89/55/58/1067895558.db2.gz VUTDPCBDDFVKKA-UHFFFAOYSA-N 0 0 452.502 4.534 20 0 JJADRN COc1ccc(CNc2ccc(Cl)c(I)c2)cc1Cn1cccn1 ZINC001461592205 1067896565 /nfs/dbraw/zinc/89/65/65/1067896565.db2.gz FEYSCTCQNLSJQZ-UHFFFAOYSA-N 0 0 453.711 4.810 20 0 JJADRN COc1ccc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)cc1-c1ccccn1 ZINC001461596100 1067896832 /nfs/dbraw/zinc/89/68/32/1067896832.db2.gz NYVLDQUYARDYJG-NRFANRHFSA-N 0 0 453.336 4.733 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C12CCC2 ZINC001461596868 1067897643 /nfs/dbraw/zinc/89/76/43/1067897643.db2.gz KTLYRUIBLYFYID-DLBZAZTESA-N 0 0 450.352 4.630 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC001461599527 1067898620 /nfs/dbraw/zinc/89/86/20/1067898620.db2.gz UPDNRSPHEVJZNV-SFHVURJKSA-N 0 0 459.955 4.563 20 0 JJADRN COCC[C@H](CNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001461602366 1067899369 /nfs/dbraw/zinc/89/93/69/1067899369.db2.gz GSHPJMHSQWBOKV-SJLPKXTDSA-N 0 0 454.011 4.696 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)C2)cc1 ZINC001461602137 1067899475 /nfs/dbraw/zinc/89/94/75/1067899475.db2.gz CMEWWWFRAGKFMX-QGZVFWFLSA-N 0 0 455.530 4.811 20 0 JJADRN COCC[C@@H](CNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001461602368 1067899540 /nfs/dbraw/zinc/89/95/40/1067899540.db2.gz GSHPJMHSQWBOKV-WMZOPIPTSA-N 0 0 454.011 4.696 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001461606584 1067900333 /nfs/dbraw/zinc/90/03/33/1067900333.db2.gz INYBOIQYLNSHKT-MOPGFXCFSA-N 0 0 455.332 4.981 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001461606592 1067900368 /nfs/dbraw/zinc/90/03/68/1067900368.db2.gz INYBOIQYLNSHKT-RTBURBONSA-N 0 0 455.332 4.981 20 0 JJADRN Cc1ccc(OCc2nc(CNc3ccc(C(=O)N4CCOCC4)c(Cl)c3)cs2)cc1 ZINC001461606996 1067900376 /nfs/dbraw/zinc/90/03/76/1067900376.db2.gz WUOVTZCQKFRJHK-UHFFFAOYSA-N 0 0 457.983 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001461607573 1067900780 /nfs/dbraw/zinc/90/07/80/1067900780.db2.gz MYFFIFCMZHEHBT-SJCJKPOMSA-N 0 0 455.502 4.546 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](C)(C(=O)NC)C2)CCCC1 ZINC001546125705 1067901608 /nfs/dbraw/zinc/90/16/08/1067901608.db2.gz JRRBFCMWMJWTDA-LVXARBLLSA-N 0 0 467.658 4.968 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC001461612247 1067901646 /nfs/dbraw/zinc/90/16/46/1067901646.db2.gz UPLDSZJQSDZXCF-GOSISDBHSA-N 0 0 458.462 4.518 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001546125714 1067901836 /nfs/dbraw/zinc/90/18/36/1067901836.db2.gz JTSZHYKALWLSGI-IRXDYDNUSA-N 0 0 469.527 4.820 20 0 JJADRN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001461614591 1067902205 /nfs/dbraw/zinc/90/22/05/1067902205.db2.gz DARGEUFQSOOKGE-FQEVSTJZSA-N 0 0 458.668 4.858 20 0 JJADRN CN1C(=O)N[C@](C)(c2ccc(NCc3cc(F)ccc3Oc3cc(F)cc(F)c3)cc2)C1=O ZINC001461614201 1067902213 /nfs/dbraw/zinc/90/22/13/1067902213.db2.gz YMQOIPJFGBOXCG-XMMPIXPASA-N 0 0 455.436 4.905 20 0 JJADRN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001461614592 1067902236 /nfs/dbraw/zinc/90/22/36/1067902236.db2.gz DARGEUFQSOOKGE-HXUWFJFHSA-N 0 0 458.668 4.858 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001461620093 1067902961 /nfs/dbraw/zinc/90/29/61/1067902961.db2.gz HMHHXFXQEGXOAQ-YOEHRIQHSA-N 0 0 463.422 4.866 20 0 JJADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccc(C)c2)CCCC1 ZINC001546125789 1067903338 /nfs/dbraw/zinc/90/33/38/1067903338.db2.gz LFNRTIPXQKJVQF-FPOVZHCZSA-N 0 0 459.660 4.509 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)c2)cc1 ZINC001461623292 1067903762 /nfs/dbraw/zinc/90/37/62/1067903762.db2.gz HAOWEPLAJFEKDQ-JTHBVZDNSA-N 0 0 454.979 4.759 20 0 JJADRN CS(=O)(=O)c1ccc(CNc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 ZINC001461625914 1067904390 /nfs/dbraw/zinc/90/43/90/1067904390.db2.gz CCTBXDJTDZZIGF-UHFFFAOYSA-N 0 0 457.392 4.584 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCC1 ZINC001546125834 1067905308 /nfs/dbraw/zinc/90/53/08/1067905308.db2.gz MCLMLZNUNOGRST-AZUAARDMSA-N 0 0 495.089 4.892 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)c1cc2c(c(Br)c1)OCO2 ZINC001461629232 1067905312 /nfs/dbraw/zinc/90/53/12/1067905312.db2.gz YPSBDYAMRAWQKN-UHFFFAOYSA-N 0 0 450.086 4.741 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001461630786 1067905607 /nfs/dbraw/zinc/90/56/07/1067905607.db2.gz QRJRNRAVQGIORM-UHFFFAOYSA-N 0 0 455.352 4.616 20 0 JJADRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001461629865 1067905691 /nfs/dbraw/zinc/90/56/91/1067905691.db2.gz NHXMPMUQERDJBR-UHFFFAOYSA-N 0 0 456.306 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC001461633071 1067906132 /nfs/dbraw/zinc/90/61/32/1067906132.db2.gz XJCLZQNRHAAJTP-GUYCJALGSA-N 0 0 455.368 4.668 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3Cl)cc2)no1 ZINC001461639437 1067907336 /nfs/dbraw/zinc/90/73/36/1067907336.db2.gz OHDXXFJEGJCMBD-UHFFFAOYSA-N 0 0 450.278 4.557 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC001461637468 1067907375 /nfs/dbraw/zinc/90/73/75/1067907375.db2.gz LRKJLRLALRSBJK-TZIWHRDSSA-N 0 0 457.958 4.869 20 0 JJADRN Cc1cc(C(=O)NCCc2cn(C)c3ccccc23)c(I)cc1Cl ZINC001461641093 1067908147 /nfs/dbraw/zinc/90/81/47/1067908147.db2.gz WZVHCJGNYMNRBC-UHFFFAOYSA-N 0 0 452.723 4.717 20 0 JJADRN CCOCCOc1ccc(Br)cc1CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC001461647578 1067908922 /nfs/dbraw/zinc/90/89/22/1067908922.db2.gz IIFKDIGVSATMKI-FQEVSTJZSA-N 0 0 456.384 4.827 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)O1 ZINC001461646682 1067908986 /nfs/dbraw/zinc/90/89/86/1067908986.db2.gz DZNIHHORPJGVRF-DGCLKSJQSA-N 0 0 451.823 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461649502 1067909384 /nfs/dbraw/zinc/90/93/84/1067909384.db2.gz OYVMPUYFUVBZCM-WWNPGLIZSA-N 0 0 458.719 4.706 20 0 JJADRN Cc1ccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1OCc1csc(Br)c1 ZINC001461648164 1067909420 /nfs/dbraw/zinc/90/94/20/1067909420.db2.gz XVQWOJXJGFSCKK-APWZRJJASA-N 0 0 472.351 4.942 20 0 JJADRN CC(=O)Nc1ccccc1NC(=O)CCCCCc1ccc(I)cc1 ZINC001461656717 1067911243 /nfs/dbraw/zinc/91/12/43/1067911243.db2.gz QHZBMKRAFUFHEH-UHFFFAOYSA-N 0 0 450.320 4.991 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F)N1Cc2ccccc2C1=O ZINC001461654936 1067911297 /nfs/dbraw/zinc/91/12/97/1067911297.db2.gz IOKCXONNXQOJQX-HXPMCKFVSA-N 0 0 451.311 4.585 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2sc(C)cc2Br)cc(C(F)(F)F)c1 ZINC001461655868 1067911326 /nfs/dbraw/zinc/91/13/26/1067911326.db2.gz NTDZVDLJLOQMPW-UHFFFAOYSA-N 0 0 451.264 4.946 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H](C)c1cc(F)c(Br)cc1F)N1Cc2ccccc2C1=O ZINC001461654929 1067911331 /nfs/dbraw/zinc/91/13/31/1067911331.db2.gz IOKCXONNXQOJQX-CWTRNNRKSA-N 0 0 451.311 4.585 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001461661775 1067912523 /nfs/dbraw/zinc/91/25/23/1067912523.db2.gz OYWKKTOVJAAFHA-LXGCGDOSSA-N 0 0 464.484 4.937 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)CCc2cccc(OCc3ccccc3)c2)cc1 ZINC001461660438 1067912569 /nfs/dbraw/zinc/91/25/69/1067912569.db2.gz KOGGKUAOEZHQGN-UHFFFAOYSA-N 0 0 452.576 4.623 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001461662087 1067912831 /nfs/dbraw/zinc/91/28/31/1067912831.db2.gz NOCSIMRGVKQLTC-APWZRJJASA-N 0 0 456.999 4.837 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001461665091 1067913786 /nfs/dbraw/zinc/91/37/86/1067913786.db2.gz UTULLAACPLXVMT-SJLPKXTDSA-N 0 0 457.372 4.541 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001461668351 1067914203 /nfs/dbraw/zinc/91/42/03/1067914203.db2.gz YHNRPGPOMUBFMO-NTKDMRAZSA-N 0 0 468.642 4.964 20 0 JJADRN COc1cnc(F)c(CNc2cc(Br)cc(I)c2C)c1 ZINC001461668259 1067914223 /nfs/dbraw/zinc/91/42/23/1067914223.db2.gz LUAJDOLIWRJJQC-UHFFFAOYSA-N 0 0 451.077 4.517 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc(C)c(C)cc2Cl)CCc2cc(Br)ccc2C1 ZINC001461668100 1067914272 /nfs/dbraw/zinc/91/42/72/1067914272.db2.gz CCJGNGIASFKQJO-NRFANRHFSA-N 0 0 450.760 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Oc3ccc(F)cc3)cc1)O2 ZINC001461668626 1067914700 /nfs/dbraw/zinc/91/47/00/1067914700.db2.gz LNFCJTMLUCVFMX-NRFANRHFSA-N 0 0 456.514 4.516 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC001546126225 1067916298 /nfs/dbraw/zinc/91/62/98/1067916298.db2.gz SYNKTEQVIBCUDI-MAUKXSAKSA-N 0 0 456.484 4.905 20 0 JJADRN COc1ccc(C(C)(C)NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1F ZINC001461681232 1067917393 /nfs/dbraw/zinc/91/73/93/1067917393.db2.gz VTROGOMZZFYFIO-UHFFFAOYSA-N 0 0 450.283 4.587 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@@H](C(F)F)C2CCCCC2)nnc1-c1ccccc1 ZINC001461681809 1067917432 /nfs/dbraw/zinc/91/74/32/1067917432.db2.gz NICDHWCVFRRWCD-HNAYVOBHSA-N 0 0 452.571 4.575 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C)cc1 ZINC001461682578 1067917452 /nfs/dbraw/zinc/91/74/52/1067917452.db2.gz CYNLHLMDTJDEGL-PKTZIBPZSA-N 0 0 451.567 4.713 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@@H](C(F)F)C2CCCCC2)nnc1-c1ccccc1 ZINC001461681808 1067917462 /nfs/dbraw/zinc/91/74/62/1067917462.db2.gz NICDHWCVFRRWCD-DNVCBOLYSA-N 0 0 452.571 4.575 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)cc2c1OCCO2 ZINC001461683622 1067917848 /nfs/dbraw/zinc/91/78/48/1067917848.db2.gz ZXLXORQUGNFNOF-HNNXBMFYSA-N 0 0 450.354 4.586 20 0 JJADRN CCOC(=O)c1ccc(Cl)c(OC)c1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001461685577 1067918245 /nfs/dbraw/zinc/91/82/45/1067918245.db2.gz KGDRNJQWZIXABF-UHFFFAOYSA-N 0 0 450.894 4.901 20 0 JJADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001546126307 1067919076 /nfs/dbraw/zinc/91/90/76/1067919076.db2.gz UWYNLAZLKZRIIS-SFHVURJKSA-N 0 0 481.563 4.538 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461691484 1067919171 /nfs/dbraw/zinc/91/91/71/1067919171.db2.gz GQSZJGRWUPDPRE-QZTJIDSGSA-N 0 0 465.775 4.582 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N[C@H]1CCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001461690520 1067919234 /nfs/dbraw/zinc/91/92/34/1067919234.db2.gz RFYPPHGEJRGTTN-LVXARBLLSA-N 0 0 450.535 4.617 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1cccc(F)c1OC(F)F)c1ccc(F)cc1 ZINC001461693214 1067919723 /nfs/dbraw/zinc/91/97/23/1067919723.db2.gz POQSZZLWCRDALJ-MRXNPFEDSA-N 0 0 457.420 4.918 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001461693942 1067919949 /nfs/dbraw/zinc/91/99/49/1067919949.db2.gz XFWMPEZBLRUDBS-SZCFDOLESA-N 0 0 471.598 4.784 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461695199 1067920408 /nfs/dbraw/zinc/92/04/08/1067920408.db2.gz WSNZYMQVOPMEJN-VLCRHTCISA-N 0 0 457.412 4.875 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001461695882 1067920450 /nfs/dbraw/zinc/92/04/50/1067920450.db2.gz QOBZYCGAAKCCEU-GOSISDBHSA-N 0 0 454.290 4.785 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461698896 1067920876 /nfs/dbraw/zinc/92/08/76/1067920876.db2.gz HEYWRNOAGMEEMG-VXGBXAGGSA-N 0 0 459.996 4.911 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[C@H]1F ZINC001461699526 1067921250 /nfs/dbraw/zinc/92/12/50/1067921250.db2.gz MADIUUPQCWYMEL-HZPDHXFCSA-N 0 0 475.424 4.784 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc3scc(Br)c3c2)CC[C@H]1F ZINC001461702546 1067921474 /nfs/dbraw/zinc/92/14/74/1067921474.db2.gz PFDKRUBXYFZPMT-HUUCEWRRSA-N 0 0 457.365 4.741 20 0 JJADRN Cc1ccc(Cn2cc(CNc3csc(S(N)(=O)=O)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461704341 1067922368 /nfs/dbraw/zinc/92/23/68/1067922368.db2.gz FFQULYUEBNKPOK-UHFFFAOYSA-N 0 0 452.605 4.536 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cnccc1C(F)(F)F ZINC001461710979 1067923123 /nfs/dbraw/zinc/92/31/23/1067923123.db2.gz HZYIEZZCDFRVSN-UHFFFAOYSA-N 0 0 453.420 4.958 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)c1 ZINC001461715043 1067923733 /nfs/dbraw/zinc/92/37/33/1067923733.db2.gz MTODQXLZWTXPBQ-HXUWFJFHSA-N 0 0 450.398 4.829 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC001461717961 1067924375 /nfs/dbraw/zinc/92/43/75/1067924375.db2.gz HBERSFSEKBUZOY-IBGZPJMESA-N 0 0 457.290 4.735 20 0 JJADRN COc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC001461717963 1067924478 /nfs/dbraw/zinc/92/44/78/1067924478.db2.gz OUZRCVTUHMRNOT-SGTLLEGYSA-N 0 0 459.276 4.762 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)o1 ZINC001461718379 1067924872 /nfs/dbraw/zinc/92/48/72/1067924872.db2.gz WTGJDQUUTIVMEH-VKXNWWILSA-N 0 0 453.535 4.716 20 0 JJADRN COc1cc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)ccc1OC(F)F ZINC001461721635 1067925569 /nfs/dbraw/zinc/92/55/69/1067925569.db2.gz VTWTYIPPUWDISM-UHFFFAOYSA-N 0 0 451.857 4.946 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)n1 ZINC001461724481 1067925907 /nfs/dbraw/zinc/92/59/07/1067925907.db2.gz WWCNRMZYRBEWEM-AWEZNQCLSA-N 0 0 459.930 4.944 20 0 JJADRN CCN1CCN(C(=O)c2ccc(NCc3cn(Cc4ccccc4)nc3C(C)(C)C)cc2)CC1 ZINC001461723369 1067925930 /nfs/dbraw/zinc/92/59/30/1067925930.db2.gz BFIGZHYKTSGELF-UHFFFAOYSA-N 0 0 459.638 4.619 20 0 JJADRN CCc1c(NCc2csc(COc3ccc(OC)cc3)n2)nnn1Cc1ccc(F)cc1 ZINC001461727755 1067926650 /nfs/dbraw/zinc/92/66/50/1067926650.db2.gz FQJOMIKSCVMTJH-UHFFFAOYSA-N 0 0 453.543 4.684 20 0 JJADRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001461726575 1067926705 /nfs/dbraw/zinc/92/67/05/1067926705.db2.gz BLNZZNVDMAUBAY-SFTDATJTSA-N 0 0 481.445 4.703 20 0 JJADRN O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001461735128 1067927332 /nfs/dbraw/zinc/92/73/32/1067927332.db2.gz JNNXJVKNIJDIBG-UHFFFAOYSA-N 0 0 455.362 4.509 20 0 JJADRN O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)c1 ZINC001461733783 1067927339 /nfs/dbraw/zinc/92/73/39/1067927339.db2.gz BTTUDJRCTCTRBO-UHFFFAOYSA-N 0 0 456.468 4.740 20 0 JJADRN O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cc(Br)cn(C2CC2)c1=O ZINC001461734392 1067927442 /nfs/dbraw/zinc/92/74/42/1067927442.db2.gz GBICOEUOEGAGLG-UHFFFAOYSA-N 0 0 455.274 4.774 20 0 JJADRN CC(C)(C)c1ncc2c(n1)CCN(C(=O)COc1ccc3cc(Br)ccc3c1)C2 ZINC001461736694 1067927778 /nfs/dbraw/zinc/92/77/78/1067927778.db2.gz CBTNSRIIYFGACM-UHFFFAOYSA-N 0 0 454.368 4.654 20 0 JJADRN O=C(c1cnc(-c2c(Cl)cccc2Cl)s1)N1CCn2ncc(Br)c2C1 ZINC001461744755 1067929505 /nfs/dbraw/zinc/92/95/05/1067929505.db2.gz IKBIRTDEZXSVCR-UHFFFAOYSA-N 0 0 458.168 4.732 20 0 JJADRN CC1(C)CCC[C@H]1CCNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC001461746704 1067929793 /nfs/dbraw/zinc/92/97/93/1067929793.db2.gz NQOQQENPKVHZLD-LBPRGKRZSA-N 0 0 454.390 4.626 20 0 JJADRN CCOc1cc(CNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(Cl)c1OC ZINC001461754821 1067930664 /nfs/dbraw/zinc/93/06/64/1067930664.db2.gz LEAGXPCNJIMYML-UHFFFAOYSA-N 0 0 453.004 4.780 20 0 JJADRN CC1(C)C[C@@]1(CNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccc1 ZINC001461758681 1067931914 /nfs/dbraw/zinc/93/19/14/1067931914.db2.gz MFCCFVXNIHUNSR-AREMUKBSSA-N 0 0 450.966 4.678 20 0 JJADRN CC[C@H](c1ccccc1)N(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC001461771142 1067933902 /nfs/dbraw/zinc/93/39/02/1067933902.db2.gz XGMSTUWAZCLQGB-MGPUTAFESA-N 0 0 457.368 4.822 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC001461772332 1067934211 /nfs/dbraw/zinc/93/42/11/1067934211.db2.gz YSVAYCBMCNCTAM-AWEZNQCLSA-N 0 0 456.203 4.922 20 0 JJADRN Cc1ccc(C)c(Oc2cccc(Cl)c2CNc2ccn(CCN3CC[NH+]=C3[O-])n2)c1C ZINC001461773410 1067934519 /nfs/dbraw/zinc/93/45/19/1067934519.db2.gz CMCUILRFMNRFRU-UHFFFAOYSA-N 0 0 453.974 4.891 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC001461774163 1067934859 /nfs/dbraw/zinc/93/48/59/1067934859.db2.gz HVPONDYPWZUMTR-OAQYLSRUSA-N 0 0 452.334 4.728 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)NCC2CC(C)C2)n1-c1ccccc1 ZINC001461778750 1067935581 /nfs/dbraw/zinc/93/55/81/1067935581.db2.gz QDTIATJYEKOKDM-UHFFFAOYSA-N 0 0 450.608 4.718 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC001461780952 1067936029 /nfs/dbraw/zinc/93/60/29/1067936029.db2.gz VCLRSWPOJCGBNZ-INIZCTEOSA-N 0 0 459.713 4.811 20 0 JJADRN COc1cc(CCNC(=O)C(=O)c2ccc(Cl)s2)cc(OC)c1OCc1ccccc1 ZINC001461781575 1067936099 /nfs/dbraw/zinc/93/60/99/1067936099.db2.gz ZOOYSTMZIDJTSI-UHFFFAOYSA-N 0 0 459.951 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NCc3ccc(OCc4ccccc4F)cc3)cc2C1 ZINC001461783973 1067936466 /nfs/dbraw/zinc/93/64/66/1067936466.db2.gz XSAMZONRCPRCCW-UHFFFAOYSA-N 0 0 452.530 4.964 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(=O)[nH]cc2Br)c1 ZINC001546127062 1067936835 /nfs/dbraw/zinc/93/68/35/1067936835.db2.gz LYQMKSCKTLJJMV-PGRDOPGGSA-N 0 0 453.336 4.929 20 0 JJADRN CCOc1cc(C(=O)N[C@H]2CCCc3c(C)cccc32)ccc1OCC(=O)N1CCCCC1 ZINC001461794332 1067938185 /nfs/dbraw/zinc/93/81/85/1067938185.db2.gz GOXDNNCOABOWBI-QHCPKHFHSA-N 0 0 450.579 4.592 20 0 JJADRN COc1ccc(Br)cc1OC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC001461795728 1067938609 /nfs/dbraw/zinc/93/86/09/1067938609.db2.gz QSFBYKKTTWTWKO-UHFFFAOYSA-N 0 0 457.111 4.873 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCC/C=C\c1ccc(Br)cc1 ZINC001461800053 1067939012 /nfs/dbraw/zinc/93/90/12/1067939012.db2.gz SJJIJCJKRCIKHK-IWQZZHSRSA-N 0 0 455.274 4.712 20 0 JJADRN CCn1c(Br)c(Br)nc1CNc1cccc2c1OC(C)(C)C[C@H]2O ZINC001461800396 1067939077 /nfs/dbraw/zinc/93/90/77/1067939077.db2.gz WOOLPVPBDWGCNJ-GFCCVEGCSA-N 0 0 459.182 4.635 20 0 JJADRN O=C(COc1ccc(Br)cc1F)NCC/C=C\c1ccc(Br)cc1 ZINC001461803538 1067939716 /nfs/dbraw/zinc/93/97/16/1067939716.db2.gz VDFMGFKYXXHVOD-IWQZZHSRSA-N 0 0 457.137 4.949 20 0 JJADRN CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805169 1067939788 /nfs/dbraw/zinc/93/97/88/1067939788.db2.gz OFZCHFMKYWXSLR-BJJXKVORSA-N 0 0 452.876 4.887 20 0 JJADRN O=C(Oc1cccc(-c2ccccn2)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001461807150 1067940201 /nfs/dbraw/zinc/94/02/01/1067940201.db2.gz UHVASXUVZFEZTB-OAQYLSRUSA-N 0 0 451.320 4.721 20 0 JJADRN CO[C@H](CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)C1CCCCC1 ZINC001461814964 1067941336 /nfs/dbraw/zinc/94/13/36/1067941336.db2.gz GSDKGEQIKCNHDQ-HXUWFJFHSA-N 0 0 451.361 4.650 20 0 JJADRN CO[C@@H](CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)C1CCCCC1 ZINC001461814963 1067941393 /nfs/dbraw/zinc/94/13/93/1067941393.db2.gz GSDKGEQIKCNHDQ-FQEVSTJZSA-N 0 0 451.361 4.650 20 0 JJADRN CCOC(=O)c1nc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)sc1Br ZINC001461826476 1067942501 /nfs/dbraw/zinc/94/25/01/1067942501.db2.gz JHYLRSPCIOKPHA-UHFFFAOYSA-N 0 0 459.312 4.811 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830266 1067943328 /nfs/dbraw/zinc/94/33/28/1067943328.db2.gz YGAKWYLDWXEMEI-LLVKDONJSA-N 0 0 456.376 4.669 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)c(F)c1)C2=O ZINC001461833188 1067943675 /nfs/dbraw/zinc/94/36/75/1067943675.db2.gz CTRJENYTILMSJY-UHFFFAOYSA-N 0 0 457.468 4.700 20 0 JJADRN COc1cccc([C@H](OC(=O)c2scc(C)c2I)C(F)(F)F)n1 ZINC001461832530 1067943788 /nfs/dbraw/zinc/94/37/88/1067943788.db2.gz RYZHEEMEHWMWLP-LBPRGKRZSA-N 0 0 457.211 4.525 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CC2=O)ccc1Br ZINC001461836237 1067944018 /nfs/dbraw/zinc/94/40/18/1067944018.db2.gz HSVZLQBBDGGEPF-NSHDSACASA-N 0 0 459.237 4.907 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001461834034 1067944150 /nfs/dbraw/zinc/94/41/50/1067944150.db2.gz DBBPDOFHNWGMPG-XDHUDOTRSA-N 0 0 459.587 4.701 20 0 JJADRN CCO[C@H](C)c1noc(CN2CCN(Cc3c(Cl)cccc3Oc3ccccc3)CC2)n1 ZINC001461841560 1067945007 /nfs/dbraw/zinc/94/50/07/1067945007.db2.gz GFSLLWGKCKXKBR-GOSISDBHSA-N 0 0 456.974 4.931 20 0 JJADRN Cc1ccc(CCN(Cc2cn(-c3ccccc3Br)nn2)CC(F)(F)F)cc1 ZINC001461840881 1067945013 /nfs/dbraw/zinc/94/50/13/1067945013.db2.gz BXNMZHZTAMFHRJ-UHFFFAOYSA-N 0 0 453.306 4.945 20 0 JJADRN COc1cc(CN2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc(OC)c1OC ZINC001461848564 1067946271 /nfs/dbraw/zinc/94/62/71/1067946271.db2.gz WSASZURKXSNIFK-UHFFFAOYSA-N 0 0 458.908 4.702 20 0 JJADRN CC1(C)CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)c2ccc(Br)cc2O1 ZINC001461850807 1067946508 /nfs/dbraw/zinc/94/65/08/1067946508.db2.gz HHDMJKCROQTWML-UHFFFAOYSA-N 0 0 450.764 4.916 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)c(C)n1 ZINC001461850790 1067946752 /nfs/dbraw/zinc/94/67/52/1067946752.db2.gz HASZMCBBKJMFEK-UHFFFAOYSA-N 0 0 450.402 4.715 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)c(Br)cc2F)CC1=O ZINC001461852397 1067946971 /nfs/dbraw/zinc/94/69/71/1067946971.db2.gz CWIVKQICQXANNU-NSHDSACASA-N 0 0 455.711 4.632 20 0 JJADRN CCC(CC)CCCN(C)C(=O)C1CCN(C(=O)CSc2ncnc3ccccc32)CC1 ZINC001461851748 1067947068 /nfs/dbraw/zinc/94/70/68/1067947068.db2.gz OWZBZBBTMSYMGO-UHFFFAOYSA-N 0 0 456.656 4.635 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)CCOc1cc(C)cc(C)c1C)C2 ZINC001461854607 1067947737 /nfs/dbraw/zinc/94/77/37/1067947737.db2.gz SQAAXGUKRRLIKL-UHFFFAOYSA-N 0 0 452.370 4.534 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001461854649 1067947772 /nfs/dbraw/zinc/94/77/72/1067947772.db2.gz UBMGHDJYKKLGCU-UHFFFAOYSA-N 0 0 453.745 4.517 20 0 JJADRN COc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1OC1CC1 ZINC001461854314 1067947785 /nfs/dbraw/zinc/94/77/85/1067947785.db2.gz QGZHJWBKDXBEAN-UHFFFAOYSA-N 0 0 451.954 4.926 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001461854537 1067947790 /nfs/dbraw/zinc/94/77/90/1067947790.db2.gz SAVUGVKXRWWGFJ-ZFWWWQNUSA-N 0 0 450.402 4.796 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1cc(Cl)c(Br)cc1F)NC(C)=O ZINC001461855592 1067948125 /nfs/dbraw/zinc/94/81/25/1067948125.db2.gz PTVKOHPXUUXJNO-MRXNPFEDSA-N 0 0 457.727 4.846 20 0 JJADRN COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)[nH]c1C ZINC001461854912 1067948146 /nfs/dbraw/zinc/94/81/46/1067948146.db2.gz SHHCXGNULOKRRP-DEOSSOPVSA-N 0 0 452.599 4.798 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001461856689 1067948594 /nfs/dbraw/zinc/94/85/94/1067948594.db2.gz CRSQAUUIMVVPIJ-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC001461859109 1067948792 /nfs/dbraw/zinc/94/87/92/1067948792.db2.gz UZBGVQYEEDDPRT-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 ZINC001461861743 1067949334 /nfs/dbraw/zinc/94/93/34/1067949334.db2.gz LOOWIHCCOIEEBS-FQEVSTJZSA-N 0 0 450.373 4.948 20 0 JJADRN COC[C@H](C)Oc1ccc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 ZINC001461862726 1067949623 /nfs/dbraw/zinc/94/96/23/1067949623.db2.gz ARYHVBAXMPSEDS-INIZCTEOSA-N 0 0 459.340 4.714 20 0 JJADRN CCOCCO[C@H]1CC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)C1 ZINC001461863398 1067949676 /nfs/dbraw/zinc/94/96/76/1067949676.db2.gz ONOINSALSRHYGR-IBGZPJMESA-N 0 0 451.464 4.787 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)OCc2ccc(O[C@H]3CCOC3)cc2)c2ccccc2)cc1 ZINC001461862840 1067949795 /nfs/dbraw/zinc/94/97/95/1067949795.db2.gz BMJNTDWRCUGGRV-IZZNHLLZSA-N 0 0 459.542 4.767 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1cn(C)nc1I ZINC001461864134 1067950062 /nfs/dbraw/zinc/95/00/62/1067950062.db2.gz KFUWVTTWYUOPPR-ZDUSSCGKSA-N 0 0 452.365 4.650 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461865112 1067950072 /nfs/dbraw/zinc/95/00/72/1067950072.db2.gz KGCPOGKNKITIAD-NRFANRHFSA-N 0 0 459.974 4.635 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cn(C)nc1I ZINC001461864125 1067950085 /nfs/dbraw/zinc/95/00/85/1067950085.db2.gz KFUWVTTWYUOPPR-CYBMUJFWSA-N 0 0 452.365 4.650 20 0 JJADRN CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001461866393 1067950428 /nfs/dbraw/zinc/95/04/28/1067950428.db2.gz ZISFYZKYOCEDGU-OAQYLSRUSA-N 0 0 459.384 4.979 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc3ccc(Cl)nc3n2)nnc1-c1ccc(Cl)cc1 ZINC001461865834 1067950445 /nfs/dbraw/zinc/95/04/45/1067950445.db2.gz OCZXOQTTYVTWIX-UHFFFAOYSA-N 0 0 459.362 4.946 20 0 JJADRN Cc1ccc(CC(=O)N2[C@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461870134 1067950811 /nfs/dbraw/zinc/95/08/11/1067950811.db2.gz SDRMLZJAGCMOLG-JZXOWHBKSA-N 0 0 453.421 4.840 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1nc2ccccc2cc1Br)c1ccccc1 ZINC001461872001 1067951630 /nfs/dbraw/zinc/95/16/30/1067951630.db2.gz QGDIGUMJXKGDSL-QHCPKHFHSA-N 0 0 455.352 4.984 20 0 JJADRN CN(Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001461872181 1067951785 /nfs/dbraw/zinc/95/17/85/1067951785.db2.gz NUOZILXXUQCQDV-NRFANRHFSA-N 0 0 458.027 4.843 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cccc(NC(=O)c3ccco3)c2)[C@H]1C ZINC001461875863 1067952517 /nfs/dbraw/zinc/95/25/17/1067952517.db2.gz KXTMWUVLEYONCI-FUHIMQAGSA-N 0 0 455.555 4.686 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sc(N3CCCC3)nc2Cl)[C@@H]1C ZINC001461879771 1067953289 /nfs/dbraw/zinc/95/32/89/1067953289.db2.gz YQCSWYYGGGYUTD-KFWWJZLASA-N 0 0 457.040 4.551 20 0 JJADRN Cn1nc2c(c1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)CCCC2 ZINC001461882200 1067953677 /nfs/dbraw/zinc/95/36/77/1067953677.db2.gz MKFNAOKWKWJMDV-KRWDZBQOSA-N 0 0 452.477 4.522 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)s1 ZINC001461883794 1067954074 /nfs/dbraw/zinc/95/40/74/1067954074.db2.gz KMRVNNMOOCVACB-INIZCTEOSA-N 0 0 456.568 4.631 20 0 JJADRN CCOc1cc(CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890110 1067955414 /nfs/dbraw/zinc/95/54/14/1067955414.db2.gz YBJVUUAYWDTALO-PBHICJAKSA-N 0 0 457.409 4.821 20 0 JJADRN COc1cc(Br)ccc1NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001461890628 1067955910 /nfs/dbraw/zinc/95/59/10/1067955910.db2.gz ZIUQYIAWWGOLFQ-LAUBAEHRSA-N 0 0 453.377 4.966 20 0 JJADRN O=C(Cc1cccc(Cl)c1)Nc1cc(Br)cc(I)c1 ZINC001461896368 1067956553 /nfs/dbraw/zinc/95/65/53/1067956553.db2.gz BBUDELZNJLAYIY-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001461896688 1067956659 /nfs/dbraw/zinc/95/66/59/1067956659.db2.gz FQKUVLBBILUOIG-GOSISDBHSA-N 0 0 455.640 4.660 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001461898465 1067957069 /nfs/dbraw/zinc/95/70/69/1067957069.db2.gz GJJPKGHMQUULPT-LZJOCLMNSA-N 0 0 455.860 4.633 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC001461897591 1067957179 /nfs/dbraw/zinc/95/71/79/1067957179.db2.gz LTVDEADULNAAPE-YFHOEESVSA-N 0 0 451.412 4.774 20 0 JJADRN CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)CCC3CCCCCC3)c2)nn1 ZINC001461898116 1067957199 /nfs/dbraw/zinc/95/71/99/1067957199.db2.gz LSHDYTVCUVFHLB-UHFFFAOYSA-N 0 0 455.603 4.659 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902900 1067958477 /nfs/dbraw/zinc/95/84/77/1067958477.db2.gz XZJCCMCLTCAVRS-VLIAUNLRSA-N 0 0 451.350 4.537 20 0 JJADRN Cc1nn(CC(=O)NCC2([C@H]3CCCCO3)CCC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001461906135 1067958907 /nfs/dbraw/zinc/95/89/07/1067958907.db2.gz VWWWQFLQZPLLGZ-GOSISDBHSA-N 0 0 452.521 4.738 20 0 JJADRN Cc1noc(C(F)F)c1C(=O)Nc1cc(Br)cc(I)c1 ZINC001461907330 1067959301 /nfs/dbraw/zinc/95/93/01/1067959301.db2.gz ZBWMBNWUYIMHEI-UHFFFAOYSA-N 0 0 457.012 4.540 20 0 JJADRN CC(C)(C)OC(=O)NC1(CCN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913333 1067959995 /nfs/dbraw/zinc/95/99/95/1067959995.db2.gz UKBHGOPBOPFZPK-LJQANCHMSA-N 0 0 459.414 4.831 20 0 JJADRN Cc1c(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cnn1-c1ccccn1 ZINC001461920014 1067960937 /nfs/dbraw/zinc/96/09/37/1067960937.db2.gz SAQQFDSLJRVPPM-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN O=C(CCc1nc(-c2ccoc2)no1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001461919858 1067960952 /nfs/dbraw/zinc/96/09/52/1067960952.db2.gz PWSQIBVQLIIQBR-UHFFFAOYSA-N 0 0 458.396 4.785 20 0 JJADRN Cc1cccc(-n2cc(C(=O)NCc3cccnc3Oc3cccc(C(F)(F)F)c3)nn2)c1 ZINC001461921757 1067961897 /nfs/dbraw/zinc/96/18/97/1067961897.db2.gz ZYYYKEFINKAZPR-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN CN(Cc1c(Br)cc(F)c(F)c1N1CCCCC1)[C@H]1CCCc2c1cnn2C ZINC001461925960 1067962405 /nfs/dbraw/zinc/96/24/05/1067962405.db2.gz ITOKOGWEARWZSS-SFHVURJKSA-N 0 0 453.375 4.961 20 0 JJADRN Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3Br)CC2)s1 ZINC001461936101 1067964067 /nfs/dbraw/zinc/96/40/67/1067964067.db2.gz AUNFVRKIMIRCJS-UHFFFAOYSA-N 0 0 458.219 4.540 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3ccc(-c4ccc(Br)cc4)n3C)CCO2)cc1 ZINC001461936910 1067964520 /nfs/dbraw/zinc/96/45/20/1067964520.db2.gz PKKLNFQYZYJRQZ-JOCHJYFZSA-N 0 0 455.352 4.677 20 0 JJADRN CC1=NN(c2ccc(C(=O)Nc3cc(F)c(Cl)cc3I)cc2)CC1 ZINC001461943191 1067965678 /nfs/dbraw/zinc/96/56/78/1067965678.db2.gz BKMIUXXBPRONDO-UHFFFAOYSA-N 0 0 457.674 4.922 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NCc2ccnc(N3CCSCC3)c2)cc1C ZINC001461942607 1067965688 /nfs/dbraw/zinc/96/56/88/1067965688.db2.gz HKSJXVDGGXCYNJ-UHFFFAOYSA-N 0 0 450.633 4.728 20 0 JJADRN Cc1cc(C)c(/C=C/CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC001461944963 1067965997 /nfs/dbraw/zinc/96/59/97/1067965997.db2.gz YGNYAGOPSIOJOT-SNAWJCMRSA-N 0 0 453.435 4.938 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)Oc1cc(Cl)cnc1I ZINC001461945521 1067966428 /nfs/dbraw/zinc/96/64/28/1067966428.db2.gz IKKQZAFTEQMQEA-UHFFFAOYSA-N 0 0 456.692 4.991 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)Nc3cc(F)c(Cl)cc3I)c2)n1 ZINC001461948805 1067967159 /nfs/dbraw/zinc/96/71/59/1067967159.db2.gz YLDCZZPWUQUFBH-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001461948680 1067967183 /nfs/dbraw/zinc/96/71/83/1067967183.db2.gz IHFBQUFWTGGZDU-CLYVBNDRSA-N 0 0 457.574 4.632 20 0 JJADRN CNC(=O)c1ccc(CN(Cc2cc(Br)sc2Br)C2CC2)cc1 ZINC001461949460 1067967431 /nfs/dbraw/zinc/96/74/31/1067967431.db2.gz MEUVMSJTLMBWMO-UHFFFAOYSA-N 0 0 458.219 4.797 20 0 JJADRN Cc1occc1C(=O)NC1CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC001461950978 1067967440 /nfs/dbraw/zinc/96/74/40/1067967440.db2.gz XWFRQKHDGAWWKR-UHFFFAOYSA-N 0 0 456.178 4.507 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461952884 1067967855 /nfs/dbraw/zinc/96/78/55/1067967855.db2.gz NPTHISJTTRXGJG-UHFFFAOYSA-N 0 0 451.939 4.555 20 0 JJADRN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccccc2)cc1OC ZINC001461953692 1067967867 /nfs/dbraw/zinc/96/78/67/1067967867.db2.gz ISRSMBIQXYOISD-UHFFFAOYSA-N 0 0 459.590 4.659 20 0 JJADRN COC[C@]1(C)CN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CCO1 ZINC001461953456 1067967882 /nfs/dbraw/zinc/96/78/82/1067967882.db2.gz HWSFJZDGNBPPKX-NRFANRHFSA-N 0 0 450.398 4.619 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(F)c(C(=O)OC(C)(C)C)c3Cl)c2n1 ZINC001461953139 1067967908 /nfs/dbraw/zinc/96/79/08/1067967908.db2.gz FNDQBXNKLWZUQP-UHFFFAOYSA-N 0 0 454.836 4.975 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1OCc1c(C)noc1C ZINC001461954480 1067968276 /nfs/dbraw/zinc/96/82/76/1067968276.db2.gz CYUGNTJOJSDWMZ-DTDZMDOOSA-N 0 0 454.473 4.843 20 0 JJADRN Cc1ccc(C)c(N(C(=O)/C=C/c2ccc(I)o2)C2CCOCC2)c1 ZINC001461954754 1067968304 /nfs/dbraw/zinc/96/83/04/1067968304.db2.gz CDAWSYPOQLHNNV-SOFGYWHQSA-N 0 0 451.304 4.726 20 0 JJADRN CC1CCC(NC(=O)CN2CCN(Cc3c(Cl)cccc3Oc3ccccc3)CC2)CC1 ZINC001461960062 1067969273 /nfs/dbraw/zinc/96/92/73/1067969273.db2.gz XFIORFQJDHJCKP-UHFFFAOYSA-N 0 0 456.030 4.945 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCc3cc(F)cc(Br)c3C2)c(=O)[nH]1 ZINC001461964205 1067969894 /nfs/dbraw/zinc/96/98/94/1067969894.db2.gz JNDBXGZWKFRWNA-UHFFFAOYSA-N 0 0 457.299 4.563 20 0 JJADRN CCOc1cc(CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962022 1067969976 /nfs/dbraw/zinc/96/99/76/1067969976.db2.gz OUMGLCKGYZIIJV-HOCLYGCPSA-N 0 0 457.409 4.679 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001461964875 1067970528 /nfs/dbraw/zinc/97/05/28/1067970528.db2.gz MNIGOVQYAHFCPE-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)no1 ZINC001461969556 1067971359 /nfs/dbraw/zinc/97/13/59/1067971359.db2.gz SWJYRLFSTHOWLB-IBGZPJMESA-N 0 0 459.591 4.570 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c(Br)c1O ZINC001461969024 1067971417 /nfs/dbraw/zinc/97/14/17/1067971417.db2.gz UKEOHCFPWSCJTD-UHFFFAOYSA-N 0 0 458.299 4.938 20 0 JJADRN Fc1cc(Cl)cc(CN2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 ZINC001461969637 1067971496 /nfs/dbraw/zinc/97/14/96/1067971496.db2.gz CPVLMTXZRLVZNM-UHFFFAOYSA-N 0 0 454.855 4.866 20 0 JJADRN O=C(Nc1cccc2nsnc21)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001461970552 1067971985 /nfs/dbraw/zinc/97/19/85/1067971985.db2.gz WWLZHFSNRAVDKC-UHFFFAOYSA-N 0 0 451.348 4.826 20 0 JJADRN CCOc1cccc(N2CCN(Cc3cn(-c4ccccc4Cl)nc3C(C)(C)C)CC2)n1 ZINC001461972829 1067972477 /nfs/dbraw/zinc/97/24/77/1067972477.db2.gz YTWQSSOFRRKLMN-UHFFFAOYSA-N 0 0 454.018 4.939 20 0 JJADRN CC1(C)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2c1cccc2Br ZINC001461973405 1067972618 /nfs/dbraw/zinc/97/26/18/1067972618.db2.gz SARLOQAQMJAVQD-INIZCTEOSA-N 0 0 459.359 4.765 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(Cc1cnc2c(C)cc(Br)cn12)C1CC1 ZINC001461976433 1067973584 /nfs/dbraw/zinc/97/35/84/1067973584.db2.gz QXAOKVKJQPLXRW-NRFANRHFSA-N 0 0 456.384 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C1 ZINC001461980527 1067974068 /nfs/dbraw/zinc/97/40/68/1067974068.db2.gz CWBDGEIWZIPMJG-SFHVURJKSA-N 0 0 457.036 4.599 20 0 JJADRN CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)ccc2Oc2ccccc2CC)CC1 ZINC001461978877 1067974080 /nfs/dbraw/zinc/97/40/80/1067974080.db2.gz RLAXBIVBSODLCL-UHFFFAOYSA-N 0 0 451.032 4.989 20 0 JJADRN COC[C@@H](C)N(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCc2ccccc21 ZINC001461980966 1067974432 /nfs/dbraw/zinc/97/44/32/1067974432.db2.gz WTRNYKSGMBASJG-VLIAUNLRSA-N 0 0 456.336 4.720 20 0 JJADRN O=C(NC1(c2c(F)cccc2F)CCC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001461982720 1067974446 /nfs/dbraw/zinc/97/44/46/1067974446.db2.gz NZKWUKWFDNHEKZ-UHFFFAOYSA-N 0 0 458.892 4.668 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)C1 ZINC001461983536 1067974887 /nfs/dbraw/zinc/97/48/87/1067974887.db2.gz LXPWDPVVIYRUOE-NRFANRHFSA-N 0 0 454.567 4.825 20 0 JJADRN CN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC001461983438 1067974925 /nfs/dbraw/zinc/97/49/25/1067974925.db2.gz ZTGIJSSRIPBPEH-QHCPKHFHSA-N 0 0 457.542 4.999 20 0 JJADRN Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)n1 ZINC001461984196 1067974943 /nfs/dbraw/zinc/97/49/43/1067974943.db2.gz VNMSVODKWSYBHL-MAUKXSAKSA-N 0 0 452.269 4.876 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986814 1067975585 /nfs/dbraw/zinc/97/55/85/1067975585.db2.gz BRKRAQSPVYFXGW-HOFKKMOUSA-N 0 0 455.602 4.762 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(SC(F)(F)F)c2)ccc1F ZINC001461995967 1067977168 /nfs/dbraw/zinc/97/71/68/1067977168.db2.gz JFEKXUSOFDSTMN-UHFFFAOYSA-N 0 0 450.479 4.767 20 0 JJADRN CCCN(Cc1c(Br)cncc1Br)C[C@H]1COc2ccccc2O1 ZINC001461998773 1067977519 /nfs/dbraw/zinc/97/75/19/1067977519.db2.gz FXPMJYPXCACUET-ZDUSSCGKSA-N 0 0 456.178 4.659 20 0 JJADRN CCOC(=O)CN(Cc1cnc([C@H]2CCCO2)s1)[C@@H](C)c1cccc(Br)c1 ZINC001462003251 1067978079 /nfs/dbraw/zinc/97/80/79/1067978079.db2.gz UPTCEVGVLVESJI-KBXCAEBGSA-N 0 0 453.402 4.883 20 0 JJADRN CCOC(=O)CN(Cc1cnc([C@H]2CCCO2)s1)[C@H](C)c1cccc(Br)c1 ZINC001462003257 1067978181 /nfs/dbraw/zinc/97/81/81/1067978181.db2.gz UPTCEVGVLVESJI-RDTXWAMCSA-N 0 0 453.402 4.883 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC001462004770 1067978597 /nfs/dbraw/zinc/97/85/97/1067978597.db2.gz JCVYDMVRVKMLGT-UHFFFAOYSA-N 0 0 458.521 4.649 20 0 JJADRN Cc1nc(CN2CCN(Cc3c(F)ccc(C(F)(F)F)c3Br)CC2)cs1 ZINC001462007246 1067979027 /nfs/dbraw/zinc/97/90/27/1067979027.db2.gz JFTMKHGJVPZUTF-UHFFFAOYSA-N 0 0 452.315 4.690 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1F)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC001462009258 1067979588 /nfs/dbraw/zinc/97/95/88/1067979588.db2.gz PTZRNKKNHPZCBT-NWANDNLSSA-N 0 0 457.112 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(Cc2cc(Br)sc2Br)CC1 ZINC001462013966 1067980833 /nfs/dbraw/zinc/98/08/33/1067980833.db2.gz QEVGALXWMVNRNQ-UHFFFAOYSA-N 0 0 454.228 4.716 20 0 JJADRN C[C@@]1(c2ccccc2)CC[C@H](N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017096 1067981912 /nfs/dbraw/zinc/98/19/12/1067981912.db2.gz GCVCOVQEGQNVCC-PGRDOPGGSA-N 0 0 453.435 4.810 20 0 JJADRN Cc1cc(Br)cc(CN2CCN(CCOc3ccccc3)CC2)c1OC(F)F ZINC001462020356 1067982347 /nfs/dbraw/zinc/98/23/47/1067982347.db2.gz LYAWVJHMWRAZJA-UHFFFAOYSA-N 0 0 455.343 4.556 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCc2cc(Br)c(Cl)cc21 ZINC001462022721 1067982811 /nfs/dbraw/zinc/98/28/11/1067982811.db2.gz SQMRACMGQKLFGS-LBPRGKRZSA-N 0 0 454.151 4.698 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCC(OC(C)(C)C)CC1 ZINC001462023639 1067983240 /nfs/dbraw/zinc/98/32/40/1067983240.db2.gz OAKOKRKUZNSWEQ-AJTFCVKESA-N 0 0 457.615 4.846 20 0 JJADRN CCOC(=O)c1nc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)sc1C ZINC001462024735 1067983715 /nfs/dbraw/zinc/98/37/15/1067983715.db2.gz FWALUCXQJCQNKH-UHFFFAOYSA-N 0 0 451.520 4.946 20 0 JJADRN CCOC(=O)c1nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)sc1C ZINC001462027295 1067984065 /nfs/dbraw/zinc/98/40/65/1067984065.db2.gz WODLKQLBBWKBFZ-INIZCTEOSA-N 0 0 453.605 4.678 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CC[C@H]1c1ccc(C)o1 ZINC001462028665 1067984473 /nfs/dbraw/zinc/98/44/73/1067984473.db2.gz KFIYHQZVKJLFOR-RBUKOAKNSA-N 0 0 450.457 4.854 20 0 JJADRN Cc1cccc(NC(=O)CN2CCN(Cc3oc4ccccc4c3Br)CC2)c1C ZINC001462033174 1067984863 /nfs/dbraw/zinc/98/48/63/1067984863.db2.gz KRDXWMCDBFATEO-UHFFFAOYSA-N 0 0 456.384 4.568 20 0 JJADRN Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC001462032357 1067984932 /nfs/dbraw/zinc/98/49/32/1067984932.db2.gz XKUZFGUBTPFTSD-UHFFFAOYSA-N 0 0 459.993 4.710 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001462033982 1067985390 /nfs/dbraw/zinc/98/53/90/1067985390.db2.gz ODIWLAMLOOXCTH-GJZGRUSLSA-N 0 0 451.951 4.521 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3nccc(-c4sc(C)nc4C)n3)s2)cc1 ZINC001462039608 1067986539 /nfs/dbraw/zinc/98/65/39/1067986539.db2.gz JHAZPOQCJAUANX-UHFFFAOYSA-N 0 0 451.577 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3ccc([C@@H]4CCCOC4)cc3)cccc2C1 ZINC001462041383 1067987333 /nfs/dbraw/zinc/98/73/33/1067987333.db2.gz ZBPCVDRSFUSLSS-HSZRJFAPSA-N 0 0 450.579 4.804 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001546128989 1067987393 /nfs/dbraw/zinc/98/73/93/1067987393.db2.gz QRKCLVLPPPSDLF-RPWUZVMVSA-N 0 0 451.611 4.997 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001462043810 1067988356 /nfs/dbraw/zinc/98/83/56/1067988356.db2.gz KFIQTKPZCUUUCO-IYERYRBDSA-N 0 0 452.599 4.731 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN1CCN(C(=O)C(C)(C)C)CC1 ZINC001462044833 1067988488 /nfs/dbraw/zinc/98/84/88/1067988488.db2.gz MVEBOYAFYNOSNE-UHFFFAOYSA-N 0 0 450.558 4.802 20 0 JJADRN CC1(C)CN(CC(F)(F)F)CCN1Cc1cc(Br)sc1Br ZINC001462045225 1067988969 /nfs/dbraw/zinc/98/89/69/1067988969.db2.gz DHLVXVOVNRLCTG-UHFFFAOYSA-N 0 0 450.162 4.732 20 0 JJADRN CC1(C)CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c2ccc(Cl)cc21 ZINC001462051167 1067991285 /nfs/dbraw/zinc/99/12/85/1067991285.db2.gz NCPUPGJKYNJCFC-QINSGFPZSA-N 0 0 459.011 4.677 20 0 JJADRN Cc1c(Br)cc(CN2CCN([C@H](C)c3nccs3)CC2)cc1Br ZINC001462051228 1067991297 /nfs/dbraw/zinc/99/12/97/1067991297.db2.gz GJKXIHURRWEYLA-CYBMUJFWSA-N 0 0 459.251 4.855 20 0 JJADRN CC(C)(C)c1nc(CC(=O)Nc2nn(-c3ncccc3Cl)cc2Br)cs1 ZINC001462059852 1067993273 /nfs/dbraw/zinc/99/32/73/1067993273.db2.gz JHWVTDKBCCODQR-UHFFFAOYSA-N 0 0 454.781 4.618 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1ccccc1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001462062859 1067993829 /nfs/dbraw/zinc/99/38/29/1067993829.db2.gz IIDVDCGTEHFAIB-UHFFFAOYSA-N 0 0 453.396 4.848 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3(C)C)cc2)C1 ZINC001462064074 1067994603 /nfs/dbraw/zinc/99/46/03/1067994603.db2.gz KSCKVKUVIMTVIE-WZONZLPQSA-N 0 0 458.599 4.655 20 0 JJADRN Cc1cccc(CSCC(=O)Nc2nn(-c3ncccc3Cl)cc2Br)c1 ZINC001462065574 1067994633 /nfs/dbraw/zinc/99/46/33/1067994633.db2.gz PRCACBABPXOKDB-UHFFFAOYSA-N 0 0 451.777 4.864 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066796 1067995143 /nfs/dbraw/zinc/99/51/43/1067995143.db2.gz BHCVORJDQZDEJL-ATIYNZHBSA-N 0 0 454.615 4.510 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)s1 ZINC001462083609 1067998162 /nfs/dbraw/zinc/99/81/62/1067998162.db2.gz DGJUSNLQLDNWKS-SFHVURJKSA-N 0 0 458.942 4.963 20 0 JJADRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081805 1067998173 /nfs/dbraw/zinc/99/81/73/1067998173.db2.gz HADHSZANXBBSIU-CQSZACIVSA-N 0 0 455.912 4.985 20 0 JJADRN C[S@](=O)Cc1cc(N[C@@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1Cl ZINC001462085745 1067998833 /nfs/dbraw/zinc/99/88/33/1067998833.db2.gz IKGPDNXKIXYHSJ-JJCDCTGGSA-N 0 0 457.036 4.579 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2ccccc2n1CC(F)(F)F ZINC001462086477 1067998871 /nfs/dbraw/zinc/99/88/71/1067998871.db2.gz HHHAWBNGHUQODT-HNNXBMFYSA-N 0 0 453.823 4.531 20 0 JJADRN CC(=O)N1CC[C@@H](OC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c2ccccc21 ZINC001462089459 1067999628 /nfs/dbraw/zinc/99/96/28/1067999628.db2.gz INJZEPCCGGUCGQ-LJQANCHMSA-N 0 0 456.424 4.894 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1-c1ccccc1 ZINC001462091166 1068000014 /nfs/dbraw/zinc/00/00/14/1068000014.db2.gz DDQYDFQJARYMNT-OAQYLSRUSA-N 0 0 454.448 4.916 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc2c1 ZINC001462091218 1068000119 /nfs/dbraw/zinc/00/01/19/1068000119.db2.gz DEPCMUKJNBTYPY-ZDDRCJPWSA-N 0 0 454.448 4.802 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N=[S@@](C)(=O)c3ccc(N(C)C)cc3)c12 ZINC001462092578 1068000701 /nfs/dbraw/zinc/00/07/01/1068000701.db2.gz CWQAPOPYJUUNJJ-YTTGMZPUSA-N 0 0 453.612 4.735 20 0 JJADRN CN(Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093208 1068000714 /nfs/dbraw/zinc/00/07/14/1068000714.db2.gz HDXYJPCWSHXOIG-NRFANRHFSA-N 0 0 456.384 4.825 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546129381 1068001690 /nfs/dbraw/zinc/00/16/90/1068001690.db2.gz DUAXELMDTUSEJJ-IBGZPJMESA-N 0 0 483.657 4.531 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462096282 1068001784 /nfs/dbraw/zinc/00/17/84/1068001784.db2.gz NAJFKFHSBGLVEN-UHFFFAOYSA-N 0 0 455.477 4.539 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](COC)C2)CCCC1 ZINC001546129416 1068002045 /nfs/dbraw/zinc/00/20/45/1068002045.db2.gz GBNHVRCABOYLKZ-KRWDZBQOSA-N 0 0 464.452 4.879 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3(C)C)cc2CN1C(=O)OC(C)(C)C ZINC001462100681 1068002445 /nfs/dbraw/zinc/00/24/45/1068002445.db2.gz ZYRCNMDGKLQEMV-OXJNMPFZSA-N 0 0 456.562 4.570 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)c(F)c2)cc1 ZINC001462100663 1068002620 /nfs/dbraw/zinc/00/26/20/1068002620.db2.gz ZVUIHSPNILPGPY-OAQYLSRUSA-N 0 0 456.876 4.829 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c2ccccc21 ZINC001462101352 1068002647 /nfs/dbraw/zinc/00/26/47/1068002647.db2.gz CEBIOSSXVSGIKG-JHFSOIRNSA-N 0 0 454.636 4.968 20 0 JJADRN CC(=O)N1CC[C@H](OC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c2ccccc21 ZINC001462102332 1068002836 /nfs/dbraw/zinc/00/28/36/1068002836.db2.gz AVBGNEYNWCDTQX-SGTLLEGYSA-N 0 0 452.732 4.911 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001462102836 1068003523 /nfs/dbraw/zinc/00/35/23/1068003523.db2.gz IUXYVAPDGQASSW-JOCHJYFZSA-N 0 0 455.396 4.973 20 0 JJADRN COc1cc(CCC(=O)Nc2ccc(Br)c(OC(C)C)c2)cc(OC)c1OC ZINC001462103041 1068003551 /nfs/dbraw/zinc/00/35/51/1068003551.db2.gz FRVBZXGVFVIZLB-UHFFFAOYSA-N 0 0 452.345 4.833 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3C)CC2=O)cc1F ZINC001462104387 1068003768 /nfs/dbraw/zinc/00/37/68/1068003768.db2.gz NRVDQQYLKBXKLK-IERDGZPVSA-N 0 0 459.359 4.922 20 0 JJADRN CC(=O)N1CCN(c2cccc(NCc3ccc(Br)cc3C(F)(F)F)c2)CC1 ZINC001462106527 1068004218 /nfs/dbraw/zinc/00/42/18/1068004218.db2.gz RQVIBMXTSKQFRH-UHFFFAOYSA-N 0 0 456.306 4.749 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC001462105463 1068004234 /nfs/dbraw/zinc/00/42/34/1068004234.db2.gz SSCVIVODCPUYHL-OAQYLSRUSA-N 0 0 459.359 4.930 20 0 JJADRN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c(OCc2cccnc2)c1 ZINC001462107623 1068004748 /nfs/dbraw/zinc/00/47/48/1068004748.db2.gz PENPKEQLHOXWJV-HSZRJFAPSA-N 0 0 455.599 4.747 20 0 JJADRN CCCCCn1nc(C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@@H]2C)c2ccccc2c1=O ZINC001462110259 1068006415 /nfs/dbraw/zinc/00/64/15/1068006415.db2.gz QMYZQNMIWSZBKX-WZONZLPQSA-N 0 0 451.542 4.858 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCO[C@H]1C ZINC001462120771 1068008269 /nfs/dbraw/zinc/00/82/69/1068008269.db2.gz SYORMVPBMGSERN-BTYIYWSLSA-N 0 0 458.331 4.907 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001546129517 1068008435 /nfs/dbraw/zinc/00/84/35/1068008435.db2.gz IZFGEYUIOGHAHI-UHFFFAOYSA-N 0 0 481.410 4.872 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N(C)[C@@H]2CCSC2)CCCC1 ZINC001546129528 1068008928 /nfs/dbraw/zinc/00/89/28/1068008928.db2.gz JJPYEUZSLWOJQI-GOSISDBHSA-N 0 0 460.644 4.883 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(c3cccc(F)c3C)[C@@H]3CCO[C@@H]3C)C2)c1 ZINC001462121768 1068009343 /nfs/dbraw/zinc/00/93/43/1068009343.db2.gz VULAIVYKWOSRQR-TYBLODHISA-N 0 0 452.570 4.814 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NCc1cnc2c(C)cc(Br)cn12 ZINC001462122063 1068009666 /nfs/dbraw/zinc/00/96/66/1068009666.db2.gz ZRZOYKQSDUDKEX-LAUBAEHRSA-N 0 0 456.384 4.547 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CC[C@H]4[C@@H](CCCN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001462123995 1068009860 /nfs/dbraw/zinc/00/98/60/1068009860.db2.gz CDEKLPMLLGGGNC-NOXFTYBFSA-N 0 0 457.615 4.592 20 0 JJADRN CC(C)(NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2o1 ZINC001462124282 1068010810 /nfs/dbraw/zinc/01/08/10/1068010810.db2.gz FZPDKULHIKQZRY-HSZRJFAPSA-N 0 0 459.905 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)C1 ZINC001462126126 1068010970 /nfs/dbraw/zinc/01/09/70/1068010970.db2.gz UQWQEJCCCBOTOH-CYBMUJFWSA-N 0 0 457.905 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)C1 ZINC001462126130 1068011332 /nfs/dbraw/zinc/01/13/32/1068011332.db2.gz UQWQEJCCCBOTOH-ZDUSSCGKSA-N 0 0 457.905 4.725 20 0 JJADRN CCCN1CCN(Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)C(C)(C)C1=O ZINC001462128922 1068011651 /nfs/dbraw/zinc/01/16/51/1068011651.db2.gz RSJFFPUTIOZAHT-UHFFFAOYSA-N 0 0 450.558 4.945 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCCc2ccccn2)CCOCC1 ZINC001546129548 1068012078 /nfs/dbraw/zinc/01/20/78/1068012078.db2.gz KEVSFWNYBYBNOG-UHFFFAOYSA-N 0 0 487.446 4.707 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1C ZINC001462132503 1068012575 /nfs/dbraw/zinc/01/25/75/1068012575.db2.gz OKHGROPWZWYLIN-UHFFFAOYSA-N 0 0 458.440 4.809 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)[C@@]12C[C@@H]1CCCC2 ZINC001462134790 1068012859 /nfs/dbraw/zinc/01/28/59/1068012859.db2.gz DGSOTOWDJXWXCI-OAVHHTNSSA-N 0 0 457.294 4.747 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](COC(C)C)C2)CCC1 ZINC001546129596 1068012889 /nfs/dbraw/zinc/01/28/89/1068012889.db2.gz LQVFJHAWQYZWHD-HXUWFJFHSA-N 0 0 464.557 4.757 20 0 JJADRN FC(F)(F)c1cccc([C@@]2(F)CCN(Cc3ncc(I)s3)C2)c1 ZINC001462136270 1068013367 /nfs/dbraw/zinc/01/33/67/1068013367.db2.gz IVAPQCHMPREYFH-CQSZACIVSA-N 0 0 456.246 4.837 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)c1cnn(C(C)(C)C)c1Br)C2 ZINC001462139472 1068013781 /nfs/dbraw/zinc/01/37/81/1068013781.db2.gz PTVVVTSNMZPJLL-UHFFFAOYSA-N 0 0 455.194 4.670 20 0 JJADRN CO[C@@H](C(=O)N1CCc2cc(C)cc(Br)c2C1)c1ccccc1Br ZINC001462141834 1068014312 /nfs/dbraw/zinc/01/43/12/1068014312.db2.gz WUVMHJWMCCZVSH-GOSISDBHSA-N 0 0 453.174 4.792 20 0 JJADRN C[C@H](NCc1cccc(F)c1I)c1noc(-c2ccc(Cl)cc2)n1 ZINC001462145902 1068014913 /nfs/dbraw/zinc/01/49/13/1068014913.db2.gz JSGVAGFRPOMGBL-JTQLQIEISA-N 0 0 457.674 4.985 20 0 JJADRN CCc1csc(-n2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)cn2)n1 ZINC001462150576 1068016121 /nfs/dbraw/zinc/01/61/21/1068016121.db2.gz ZSQSRVHXHCPPGZ-RBUKOAKNSA-N 0 0 453.568 4.524 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cn1 ZINC001462150548 1068016201 /nfs/dbraw/zinc/01/62/01/1068016201.db2.gz ZIMGMKSHBISBQV-NWDGAFQWSA-N 0 0 456.490 4.977 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151710 1068016463 /nfs/dbraw/zinc/01/64/63/1068016463.db2.gz RFKDLNMNEWFZHO-LJQANCHMSA-N 0 0 458.628 4.955 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(CC(=O)N(c2ccc(Cl)c(Cl)c2)C2CCCC2)cc1 ZINC001462157889 1068018681 /nfs/dbraw/zinc/01/86/81/1068018681.db2.gz VTTCAFGFMXKENL-UHFFFAOYSA-N 0 0 455.407 4.762 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cn(-c2ccc(Br)cc2)nc1C ZINC001462158566 1068018699 /nfs/dbraw/zinc/01/86/99/1068018699.db2.gz VBWWJZKSLOZUHE-VXKWHMMOSA-N 0 0 454.368 4.822 20 0 JJADRN COC(=O)c1ccc(CN2C[C@@H](C)Oc3ccc(Br)cc32)cc1Br ZINC001462158310 1068018727 /nfs/dbraw/zinc/01/87/27/1068018727.db2.gz QEMRDZDHAFOCQF-LLVKDONJSA-N 0 0 455.146 4.786 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N(C)c3nc4cc(Br)ccc4o3)n2)ccc1F ZINC001462160621 1068019187 /nfs/dbraw/zinc/01/91/87/1068019187.db2.gz BJSYUDCOIIEWGO-UHFFFAOYSA-N 0 0 459.275 4.683 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N(C)Cc2ccsc2)CCOCC1 ZINC001546129757 1068019287 /nfs/dbraw/zinc/01/92/87/1068019287.db2.gz RMTRZYKKGAVQBJ-UHFFFAOYSA-N 0 0 486.638 4.876 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Br)cs3)cc2)CC1 ZINC001462162741 1068019495 /nfs/dbraw/zinc/01/94/95/1068019495.db2.gz GWVQUBOEBUCKTI-UHFFFAOYSA-N 0 0 451.386 4.538 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC001462162963 1068019723 /nfs/dbraw/zinc/01/97/23/1068019723.db2.gz JUMXBSAKAGOVPV-UHFFFAOYSA-N 0 0 458.081 4.777 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001462166416 1068020744 /nfs/dbraw/zinc/02/07/44/1068020744.db2.gz MBPABZQRDBTWFX-UXHICEINSA-N 0 0 460.759 4.607 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@H]3c4ccccc4C(=O)N3C)CCCCC2)ccc1Br ZINC001462169462 1068021211 /nfs/dbraw/zinc/02/12/11/1068021211.db2.gz UMNJSVYADLMGCK-NRFANRHFSA-N 0 0 455.396 4.903 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 ZINC001462174355 1068021982 /nfs/dbraw/zinc/02/19/82/1068021982.db2.gz ASJYYQRNNCAGMS-SCLBCKFNSA-N 0 0 455.725 4.592 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC[C@@H]1CC=CCC1)Nc1ccc(Br)cc1 ZINC001462175169 1068022376 /nfs/dbraw/zinc/02/23/76/1068022376.db2.gz LAKZYDPANAHRHP-QGZVFWFLSA-N 0 0 457.368 4.943 20 0 JJADRN COC(=O)CN(Cc1ccc(Oc2ccc(F)cc2)nc1)Cc1cccc(Br)c1 ZINC001462177762 1068022390 /nfs/dbraw/zinc/02/23/90/1068022390.db2.gz CGVPPYHZCIZXJT-UHFFFAOYSA-N 0 0 459.315 4.951 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cc(OCC)c1OCC ZINC001462177938 1068022674 /nfs/dbraw/zinc/02/26/74/1068022674.db2.gz TYRPFKBCGGPTMI-IOMROCGXSA-N 0 0 460.368 4.713 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@](C)(CC)C2)CCCC1 ZINC001546129896 1068023200 /nfs/dbraw/zinc/02/32/00/1068023200.db2.gz YDHBWNRCNVMMAT-RUZDIDTESA-N 0 0 472.630 4.947 20 0 JJADRN O=C1C[C@@]2(CCN(Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180677 1068023246 /nfs/dbraw/zinc/02/32/46/1068023246.db2.gz CQFXAWXBDZLXNY-FQEVSTJZSA-N 0 0 453.739 4.746 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001462181783 1068023911 /nfs/dbraw/zinc/02/39/11/1068023911.db2.gz DFOCXCVMWJKPCD-XUZZJYLKSA-N 0 0 458.599 4.664 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001462182187 1068024008 /nfs/dbraw/zinc/02/40/08/1068024008.db2.gz BZJRXCAVUMSHQZ-AWEZNQCLSA-N 0 0 456.319 4.983 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462186840 1068024591 /nfs/dbraw/zinc/02/45/91/1068024591.db2.gz ZRZTUCPNPPYSCH-MRXNPFEDSA-N 0 0 459.251 4.982 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)C(F)(F)F)cc3)cs2)cc1OC ZINC001462184615 1068024681 /nfs/dbraw/zinc/02/46/81/1068024681.db2.gz PPGIYHJZJXVVMV-UHFFFAOYSA-N 0 0 450.438 4.754 20 0 JJADRN O=C(NCc1cc(F)c(Br)cc1F)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001462187180 1068025247 /nfs/dbraw/zinc/02/52/47/1068025247.db2.gz USWVZELSIXAIEL-UHFFFAOYSA-N 0 0 450.201 4.974 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC(N)=O)CC2)CCCC1 ZINC001546129960 1068026531 /nfs/dbraw/zinc/02/65/31/1068026531.db2.gz ZREIOJYOOAMSDR-UHFFFAOYSA-N 0 0 461.557 4.609 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN1CCOCC1)c1ccccc1Cl ZINC001462196377 1068027010 /nfs/dbraw/zinc/02/70/10/1068027010.db2.gz BJPAZKYEWJHJNH-KRWDZBQOSA-N 0 0 454.920 4.903 20 0 JJADRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)[C@H]1CCCCO1 ZINC001462197229 1068027130 /nfs/dbraw/zinc/02/71/30/1068027130.db2.gz UWVRSPVLXRSGDZ-MRXNPFEDSA-N 0 0 457.411 4.894 20 0 JJADRN O=C(c1ccc(Cl)cc1Br)N(CCN1CCOCC1)c1ccccc1Cl ZINC001462200596 1068028175 /nfs/dbraw/zinc/02/81/75/1068028175.db2.gz TWCIQLGYIPTJPJ-UHFFFAOYSA-N 0 0 458.183 4.735 20 0 JJADRN Cn1nc(C(F)(F)F)c(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1Cl ZINC001462201323 1068028204 /nfs/dbraw/zinc/02/82/04/1068028204.db2.gz CCAVJRRUFLEWDW-UHFFFAOYSA-N 0 0 451.674 4.707 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2cc(F)c(Br)cc2F)cc1 ZINC001462200314 1068028213 /nfs/dbraw/zinc/02/82/13/1068028213.db2.gz FBFKKLIBECDXTI-GFCCVEGCSA-N 0 0 458.324 4.839 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N1CCCSc2cc(Cl)ccc21 ZINC001462214307 1068030069 /nfs/dbraw/zinc/03/00/69/1068030069.db2.gz PPOQQOSPQOAAMC-UHFFFAOYSA-N 0 0 454.773 4.945 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2cccc3c2NCCC3)c1 ZINC001462214762 1068030310 /nfs/dbraw/zinc/03/03/10/1068030310.db2.gz JLJKQFOPDDSFAT-UHFFFAOYSA-N 0 0 451.592 4.881 20 0 JJADRN Cc1ccc(NC[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC001462216371 1068030641 /nfs/dbraw/zinc/03/06/41/1068030641.db2.gz QYHBQWHHYYGVDI-IBGZPJMESA-N 0 0 453.649 4.567 20 0 JJADRN CC[C@H]1CN(Cc2ccccc2Oc2ccc(Br)cc2F)C[C@@H](C)S1(=O)=O ZINC001462223231 1068031543 /nfs/dbraw/zinc/03/15/43/1068031543.db2.gz DVQVFHNJQVOTKX-PBHICJAKSA-N 0 0 456.377 4.778 20 0 JJADRN C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001462225696 1068032581 /nfs/dbraw/zinc/03/25/81/1068032581.db2.gz FICDQEAYKJROJL-OAQYLSRUSA-N 0 0 459.917 4.642 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462228257 1068033546 /nfs/dbraw/zinc/03/35/46/1068033546.db2.gz BXCZVDJCEFCVKV-MRXNPFEDSA-N 0 0 457.596 4.766 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231437 1068034430 /nfs/dbraw/zinc/03/44/30/1068034430.db2.gz VYVJUQDGLBSDGQ-QGZVFWFLSA-N 0 0 452.621 4.713 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC12CCCCCC2 ZINC001462243201 1068036579 /nfs/dbraw/zinc/03/65/79/1068036579.db2.gz INKFEJOZFUSPMA-NRFANRHFSA-N 0 0 453.048 4.946 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)nnc1-c1ccccc1 ZINC001462247808 1068037333 /nfs/dbraw/zinc/03/73/33/1068037333.db2.gz QKUKIHPDIRRBAM-DYESRHJHSA-N 0 0 454.571 4.827 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001462246876 1068037608 /nfs/dbraw/zinc/03/76/08/1068037608.db2.gz WLDBQBSISLYWCG-JOCHJYFZSA-N 0 0 450.604 4.753 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258702 1068040155 /nfs/dbraw/zinc/04/01/55/1068040155.db2.gz JVDYVEMIMITFPG-IBGZPJMESA-N 0 0 458.480 4.905 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)Cc2c(F)cccc2OC(F)(F)F)c1 ZINC001462261560 1068040758 /nfs/dbraw/zinc/04/07/58/1068040758.db2.gz VCGMONLMCVRKQL-INIZCTEOSA-N 0 0 452.242 4.661 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001462271760 1068041591 /nfs/dbraw/zinc/04/15/91/1068041591.db2.gz ZAARTFLNKXAFGN-MRXNPFEDSA-N 0 0 456.833 4.961 20 0 JJADRN COC(=O)[C@@H](NCc1cc(Br)c(C)cc1Br)c1ccc(OC)cc1 ZINC001462272800 1068042014 /nfs/dbraw/zinc/04/20/14/1068042014.db2.gz LOMDWWSFOLJNIB-KRWDZBQOSA-N 0 0 457.162 4.533 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC001462274115 1068042165 /nfs/dbraw/zinc/04/21/65/1068042165.db2.gz WHJBAXDQAOPDKR-JTHBVZDNSA-N 0 0 455.599 4.554 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1cc2ccnc(Cl)c2s1 ZINC001462275433 1068042255 /nfs/dbraw/zinc/04/22/55/1068042255.db2.gz DGYRYHGDDKLAJX-MRXNPFEDSA-N 0 0 451.773 4.812 20 0 JJADRN CCOC1CCC(OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1 ZINC001462278506 1068042552 /nfs/dbraw/zinc/04/25/52/1068042552.db2.gz LHZPSVNQYITPBI-UHFFFAOYSA-N 0 0 451.972 4.670 20 0 JJADRN COc1cccc(Sc2ccccc2CN2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001462280632 1068043220 /nfs/dbraw/zinc/04/32/20/1068043220.db2.gz FQMUZRLJGUYZTC-UHFFFAOYSA-N 0 0 456.608 4.668 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCn3ncc(Cl)c32)cc1)c1cccc(Br)c1 ZINC001462280554 1068043298 /nfs/dbraw/zinc/04/32/98/1068043298.db2.gz DLOJYHPEBOWXSF-UHFFFAOYSA-N 0 0 459.731 4.602 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC001462289546 1068044450 /nfs/dbraw/zinc/04/44/50/1068044450.db2.gz IWWSRAKGQUTYAD-INIZCTEOSA-N 0 0 451.420 4.799 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(Cl)c2ncccc12 ZINC001462290564 1068044467 /nfs/dbraw/zinc/04/44/67/1068044467.db2.gz DZPAOLOKJBJESJ-MRXNPFEDSA-N 0 0 453.745 4.699 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)c1nnnn1C1CC1 ZINC001462292371 1068045183 /nfs/dbraw/zinc/04/51/83/1068045183.db2.gz IKYGUSBNIJYKGQ-SNVBAGLBSA-N 0 0 451.383 4.593 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@H]1CCO[C@H]1C ZINC001462296394 1068046633 /nfs/dbraw/zinc/04/66/33/1068046633.db2.gz KOTPOIFDXBRERZ-KKSFZXQISA-N 0 0 459.974 4.892 20 0 JJADRN CC(=O)N(c1nc(CN[C@H](CCO)c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F ZINC001462308130 1068047763 /nfs/dbraw/zinc/04/77/63/1068047763.db2.gz YMWWPEXHMZAFRN-LJQANCHMSA-N 0 0 451.926 4.973 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462313386 1068049279 /nfs/dbraw/zinc/04/92/79/1068049279.db2.gz YMZKLUJRSQLCJP-MOPGFXCFSA-N 0 0 450.579 4.673 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC001462314345 1068049548 /nfs/dbraw/zinc/04/95/48/1068049548.db2.gz HJRROZFVUOHKJE-QFIPXVFZSA-N 0 0 453.583 4.552 20 0 JJADRN COC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001462323157 1068051062 /nfs/dbraw/zinc/05/10/62/1068051062.db2.gz LXTOVNWUNMYFQZ-QGZVFWFLSA-N 0 0 453.174 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001462322395 1068051180 /nfs/dbraw/zinc/05/11/80/1068051180.db2.gz FGMGYSFLAVGEOU-WOJBJXKFSA-N 0 0 457.958 4.722 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc([C@H]2CCCO2)s1 ZINC001462323330 1068051493 /nfs/dbraw/zinc/05/14/93/1068051493.db2.gz HWJPQWPMGJQTGK-ZWKOTPCHSA-N 0 0 456.955 4.543 20 0 JJADRN COC[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cccc(Br)c1 ZINC001462325919 1068051870 /nfs/dbraw/zinc/05/18/70/1068051870.db2.gz YNGSRKUVIGHXRI-OAQYLSRUSA-N 0 0 453.336 4.564 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3F)s2)CC1 ZINC001462327691 1068051889 /nfs/dbraw/zinc/05/18/89/1068051889.db2.gz BCCMJCNQEOZNEC-UHFFFAOYSA-N 0 0 451.372 4.867 20 0 JJADRN CCCNC(=O)Cc1csc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1 ZINC001462334043 1068052940 /nfs/dbraw/zinc/05/29/40/1068052940.db2.gz INGUBIADGYFUJL-UHFFFAOYSA-N 0 0 454.499 4.606 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001546130883 1068053152 /nfs/dbraw/zinc/05/31/52/1068053152.db2.gz HOLZFMWUYYGWOT-UHFFFAOYSA-N 0 0 494.865 4.856 20 0 JJADRN CC[C@@H](NC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC ZINC001462334934 1068053496 /nfs/dbraw/zinc/05/34/96/1068053496.db2.gz QRQPNXLLWMKJFT-UYAOXDASSA-N 0 0 456.587 4.653 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CCC[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cs2)c1 ZINC001462346360 1068055917 /nfs/dbraw/zinc/05/59/17/1068055917.db2.gz WTYJMBPNPKWJIB-CTNGQTDRSA-N 0 0 455.624 4.909 20 0 JJADRN COc1cccc(Cl)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001462347027 1068056202 /nfs/dbraw/zinc/05/62/02/1068056202.db2.gz HLURQSKNPHYGHJ-UHFFFAOYSA-N 0 0 457.379 4.819 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462347622 1068056368 /nfs/dbraw/zinc/05/63/68/1068056368.db2.gz FXVZAUPVESZTRO-TXPKVOOTSA-N 0 0 456.505 4.721 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CCC[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)cs2)c1 ZINC001462346380 1068056400 /nfs/dbraw/zinc/05/64/00/1068056400.db2.gz WTYJMBPNPKWJIB-TZIWHRDSSA-N 0 0 455.624 4.909 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC2(CCOCC2)[C@H]1C(C)C ZINC001462348498 1068056552 /nfs/dbraw/zinc/05/65/52/1068056552.db2.gz HMBKGQMNWCAGHJ-HXUWFJFHSA-N 0 0 452.382 4.603 20 0 JJADRN COc1ccc(CCC(=O)Nc2cc(C(C)=O)ccc2Br)c(Br)c1 ZINC001462348125 1068056686 /nfs/dbraw/zinc/05/66/86/1068056686.db2.gz HMKMOUQRUVOZIX-UHFFFAOYSA-N 0 0 455.146 4.994 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(C(C)=O)ccc3Br)c(=O)oc2c1 ZINC001462349529 1068056776 /nfs/dbraw/zinc/05/67/76/1068056776.db2.gz OGDRRWPRTDZYRS-UHFFFAOYSA-N 0 0 457.324 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001462348107 1068056846 /nfs/dbraw/zinc/05/68/46/1068056846.db2.gz HAYPXEXNPXXFBG-JTHBVZDNSA-N 0 0 451.567 4.522 20 0 JJADRN Cc1cccc(CC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1Br ZINC001462349546 1068057168 /nfs/dbraw/zinc/05/71/68/1068057168.db2.gz OKONVIRELJVMLH-ROUUACIJSA-N 0 0 451.405 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001462351571 1068057454 /nfs/dbraw/zinc/05/74/54/1068057454.db2.gz YFZAYIFAPHPNCF-HKUYNNGSSA-N 0 0 459.587 4.735 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CC=C(COC)CC2)CCOCC1 ZINC001546131051 1068058413 /nfs/dbraw/zinc/05/84/13/1068058413.db2.gz NOHHSWCVWUHCQH-UHFFFAOYSA-N 0 0 475.431 4.697 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CNCc1cc(Br)c(Cl)s1 ZINC001462359241 1068059198 /nfs/dbraw/zinc/05/91/98/1068059198.db2.gz AXEOAYZXCLKSAR-UHFFFAOYSA-N 0 0 452.599 4.963 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](OC)C(C)(C)C2)CCOCC1 ZINC001546131098 1068059635 /nfs/dbraw/zinc/05/96/35/1068059635.db2.gz OMOGOTZOTVSFDI-MRXNPFEDSA-N 0 0 483.476 4.837 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)c1cccc(C)c1 ZINC001462365009 1068060498 /nfs/dbraw/zinc/06/04/98/1068060498.db2.gz NDAVNXAYMRBORQ-LOSJGSFVSA-N 0 0 458.558 4.585 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001546131115 1068060614 /nfs/dbraw/zinc/06/06/14/1068060614.db2.gz PINMYRWTYNFYOL-KDURUIRLSA-N 0 0 490.490 4.752 20 0 JJADRN COCCC1(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462369090 1068061432 /nfs/dbraw/zinc/06/14/32/1068061432.db2.gz AGJPTPDUBKLATD-UHFFFAOYSA-N 0 0 454.011 4.569 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CCC(C2CCOCC2)CC1 ZINC001462371909 1068061780 /nfs/dbraw/zinc/06/17/80/1068061780.db2.gz SYEDXDZGSPKNHI-UHFFFAOYSA-N 0 0 452.382 4.604 20 0 JJADRN CC1(C)CC[C@H](NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC001462372081 1068062034 /nfs/dbraw/zinc/06/20/34/1068062034.db2.gz UJNNFKUTMMJUCV-ZEQRLZLVSA-N 0 0 454.636 4.638 20 0 JJADRN COCCC1(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372566 1068062144 /nfs/dbraw/zinc/06/21/44/1068062144.db2.gz LPCACSFVJWALPQ-GOTSBHOMSA-N 0 0 452.595 4.866 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1CCOc2cccc(Br)c2C1 ZINC001462385794 1068063998 /nfs/dbraw/zinc/06/39/98/1068063998.db2.gz RHRFFKVAAWXKQH-UHFFFAOYSA-N 0 0 454.162 4.565 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1C(=O)c1ccccc1 ZINC001462394854 1068065236 /nfs/dbraw/zinc/06/52/36/1068065236.db2.gz JEKDTTSGHBVNJJ-TZIWHRDSSA-N 0 0 452.551 4.948 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)NCc1noc2cc(F)ccc12 ZINC001462393481 1068065301 /nfs/dbraw/zinc/06/53/01/1068065301.db2.gz ISGFAWHCGGEEIO-UHFFFAOYSA-N 0 0 452.330 4.773 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)CC1 ZINC001462401224 1068065945 /nfs/dbraw/zinc/06/59/45/1068065945.db2.gz LIAQOLJCLMAAMV-UHFFFAOYSA-N 0 0 452.574 4.719 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)nc1C ZINC001462409860 1068068197 /nfs/dbraw/zinc/06/81/97/1068068197.db2.gz GQPVDRUOLDDBGK-HXUWFJFHSA-N 0 0 453.539 4.572 20 0 JJADRN Cc1cccc(OC(=O)C2(c3ccc(I)cc3)CC2)c1Br ZINC001462411406 1068068667 /nfs/dbraw/zinc/06/86/67/1068068667.db2.gz GKMYPIBRFAGGBM-UHFFFAOYSA-N 0 0 457.105 4.999 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Br)ccc2C(C)(C)C)cc1 ZINC001462413384 1068069095 /nfs/dbraw/zinc/06/90/95/1068069095.db2.gz UXPXGKGZXMDQRZ-UHFFFAOYSA-N 0 0 454.386 4.558 20 0 JJADRN CCOC(=O)[C@]1(F)CN(Cc2c(F)ccc(C(F)(F)F)c2Br)CC12CCC2 ZINC001462421110 1068070736 /nfs/dbraw/zinc/07/07/36/1068070736.db2.gz PFTSRKVTEKCOID-QGZVFWFLSA-N 0 0 456.249 4.864 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC001462420318 1068070790 /nfs/dbraw/zinc/07/07/90/1068070790.db2.gz DZBMFQXPVAHEJC-QWHCGFSZSA-N 0 0 463.319 4.746 20 0 JJADRN O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1OC1CCCCC1 ZINC001462422757 1068071289 /nfs/dbraw/zinc/07/12/89/1068071289.db2.gz FKTROZYWUQDPTJ-HXUWFJFHSA-N 0 0 457.368 4.844 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001462423261 1068071478 /nfs/dbraw/zinc/07/14/78/1068071478.db2.gz GHGWMAYUMNBHAJ-INIZCTEOSA-N 0 0 453.789 4.898 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001462423465 1068071664 /nfs/dbraw/zinc/07/16/64/1068071664.db2.gz AEDWOCVCPOYKAV-UTKZUKDTSA-N 0 0 452.448 4.906 20 0 JJADRN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)nc1 ZINC001462424053 1068071677 /nfs/dbraw/zinc/07/16/77/1068071677.db2.gz NBQBSWPTDVBLCC-UHFFFAOYSA-N 0 0 455.967 4.691 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1cc(Br)ncc1Br ZINC001462426694 1068072275 /nfs/dbraw/zinc/07/22/75/1068072275.db2.gz QAYKXMSNWPQCBC-GFCCVEGCSA-N 0 0 454.496 4.996 20 0 JJADRN COC(=O)[C@@H](NC1CC(c2ccc(Br)cc2)C1)c1ccccc1Br ZINC001462427176 1068072374 /nfs/dbraw/zinc/07/23/74/1068072374.db2.gz MYPIGZZLUTYFTB-RWKZGTHUSA-N 0 0 453.174 4.962 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001462429708 1068073091 /nfs/dbraw/zinc/07/30/91/1068073091.db2.gz WFAFIHZGYJSFMI-FQEVSTJZSA-N 0 0 459.384 4.685 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC001462432702 1068073117 /nfs/dbraw/zinc/07/31/17/1068073117.db2.gz ANDKXRXYPKTIPU-NRFANRHFSA-N 0 0 452.551 4.765 20 0 JJADRN Cc1c(C(=O)O[C@H](c2ccc(Cl)cc2)C(F)(F)F)nnn1CCOc1ccc(F)cc1 ZINC001462437281 1068074009 /nfs/dbraw/zinc/07/40/09/1068074009.db2.gz JOUAHZSHFNMYNP-GOSISDBHSA-N 0 0 457.811 4.918 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462436656 1068074177 /nfs/dbraw/zinc/07/41/77/1068074177.db2.gz HFSRIOIAFQCDBY-GOSISDBHSA-N 0 0 450.760 4.834 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436241 1068074267 /nfs/dbraw/zinc/07/42/67/1068074267.db2.gz FHILNNIIOVDMPC-RLWLMLJZSA-N 0 0 457.014 4.699 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3ccccc3Cl)C2(C)C)c1 ZINC001462441192 1068074861 /nfs/dbraw/zinc/07/48/61/1068074861.db2.gz VVDSTEGYLFZRHI-QGZVFWFLSA-N 0 0 455.407 4.652 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462443021 1068075080 /nfs/dbraw/zinc/07/50/80/1068075080.db2.gz QFYYGIADMAHQGV-YJBOKZPZSA-N 0 0 450.457 4.522 20 0 JJADRN O=C(NCC[C@@H]1CCCC1(F)F)c1cc(Br)cc(I)c1 ZINC001462443706 1068075177 /nfs/dbraw/zinc/07/51/77/1068075177.db2.gz XWYPWOSHBUTKLP-JTQLQIEISA-N 0 0 458.084 4.609 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CCCCc4ccc(Br)cc43)cc2)no1 ZINC001462443085 1068075189 /nfs/dbraw/zinc/07/51/89/1068075189.db2.gz ZVRVGORMVUIUDW-UHFFFAOYSA-N 0 0 456.340 4.957 20 0 JJADRN Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443758 1068075761 /nfs/dbraw/zinc/07/57/61/1068075761.db2.gz OHDUAMWPEYIKIA-LVXARBLLSA-N 0 0 457.014 4.699 20 0 JJADRN O=C(N1CCC[C@@H](C2CCN(Cc3cccc(Br)c3F)CC2)C1)C(F)(F)F ZINC001462443729 1068075796 /nfs/dbraw/zinc/07/57/96/1068075796.db2.gz UIGJDDDQSJLUMH-CQSZACIVSA-N 0 0 451.302 4.601 20 0 JJADRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001462447229 1068076268 /nfs/dbraw/zinc/07/62/68/1068076268.db2.gz SCNIZKHKHAKHGO-DQCZWYHMSA-N 0 0 450.623 4.643 20 0 JJADRN COc1cc(OC)c(C2CCN(Cc3cnn(Cc4ccccc4)c3Cl)CC2)c(OC)c1 ZINC001462452020 1068077381 /nfs/dbraw/zinc/07/73/81/1068077381.db2.gz GGDXWCREVQVXKR-UHFFFAOYSA-N 0 0 455.986 4.990 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCCc2cc(Cl)cc(Br)c2)cc1 ZINC001462452396 1068078030 /nfs/dbraw/zinc/07/80/30/1068078030.db2.gz QNSPHZIGMKFDBK-HNNXBMFYSA-N 0 0 452.776 4.750 20 0 JJADRN Clc1cccc(-n2cc(CN3CCOc4cc(Br)ccc4C3)nn2)c1Cl ZINC001462464067 1068080002 /nfs/dbraw/zinc/08/00/02/1068080002.db2.gz LXZZROLCXXQIHQ-UHFFFAOYSA-N 0 0 454.155 4.731 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)C2)nc1C ZINC001462464243 1068080370 /nfs/dbraw/zinc/08/03/70/1068080370.db2.gz OXQHWJBQBKBHRG-XJKSGUPXSA-N 0 0 454.514 4.842 20 0 JJADRN COC(=O)CCc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001462475882 1068081190 /nfs/dbraw/zinc/08/11/90/1068081190.db2.gz YDMVAWIAFCJPET-UHFFFAOYSA-N 0 0 451.906 4.694 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@]1(C)OCCc2ccccc21 ZINC001462471329 1068081479 /nfs/dbraw/zinc/08/14/79/1068081479.db2.gz RKGKZTHCZXCCGW-DEOSSOPVSA-N 0 0 458.389 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NC[C@]2(C)OCCc3ccccc32)CC1 ZINC001462471241 1068081496 /nfs/dbraw/zinc/08/14/96/1068081496.db2.gz RCCUNBMUDRWARD-GJZUVCINSA-N 0 0 456.627 4.798 20 0 JJADRN CCOC(=O)c1cc(NC(=O)CSc2nncn2C(C)C)ccc1Sc1ccccc1 ZINC001546131921 1068082388 /nfs/dbraw/zinc/08/23/88/1068082388.db2.gz PRZOWQFQLJPMOQ-UHFFFAOYSA-N 0 0 456.593 4.918 20 0 JJADRN CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001462486876 1068083321 /nfs/dbraw/zinc/08/33/21/1068083321.db2.gz OECYBIMGOZCPKQ-FCHUYYIVSA-N 0 0 455.352 4.540 20 0 JJADRN O=C(NCc1ccnc(-c2ccccn2)n1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001462486470 1068083559 /nfs/dbraw/zinc/08/35/59/1068083559.db2.gz HLTRSILKBYDYPH-UHFFFAOYSA-N 0 0 451.408 4.675 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)s1 ZINC001462489831 1068083911 /nfs/dbraw/zinc/08/39/11/1068083911.db2.gz VOWFKIBTTNAKPW-LJQANCHMSA-N 0 0 451.592 4.782 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)ccc1Cl ZINC001462490207 1068084238 /nfs/dbraw/zinc/08/42/38/1068084238.db2.gz ZLXDREAEBZLLGL-NRFANRHFSA-N 0 0 459.333 4.637 20 0 JJADRN C[C@H]1CN(C(=O)COc2c(I)cc(Cl)c3cccnc32)C(C)(C)C1 ZINC001462490758 1068084262 /nfs/dbraw/zinc/08/42/62/1068084262.db2.gz NFEAWDSWFAITSI-LLVKDONJSA-N 0 0 458.727 4.519 20 0 JJADRN CN(C)C(=O)NCCc1ccc(N[C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490905 1068084463 /nfs/dbraw/zinc/08/44/63/1068084463.db2.gz KGXSPIQAKCEEKW-VXKWHMMOSA-N 0 0 459.432 4.510 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001462497327 1068085593 /nfs/dbraw/zinc/08/55/93/1068085593.db2.gz SXCJEPJCLCNHLV-HSZRJFAPSA-N 0 0 450.526 4.708 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCCC[C@@H]3CN(C)C(=O)OC(C)(C)C)nc2)c1 ZINC001462499571 1068086287 /nfs/dbraw/zinc/08/62/87/1068086287.db2.gz FMXFJQGWZSHJAR-GOSISDBHSA-N 0 0 455.555 4.744 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)C1=Cc3cc(Br)ccc3OC1)CC2 ZINC001462500057 1068086480 /nfs/dbraw/zinc/08/64/80/1068086480.db2.gz WUOIYGNGWQVACX-UHFFFAOYSA-N 0 0 458.352 4.562 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001462499583 1068086500 /nfs/dbraw/zinc/08/65/00/1068086500.db2.gz FQNJOUPMRWPFPP-HNNXBMFYSA-N 0 0 453.370 4.699 20 0 JJADRN CCOC(=O)N1CCC(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001462501583 1068086955 /nfs/dbraw/zinc/08/69/55/1068086955.db2.gz CTDQVGAIBPFSKW-UHFFFAOYSA-N 0 0 452.885 4.895 20 0 JJADRN C[C@]1(CO)CN(Cc2ccc(Br)cc2Oc2cccc(Cl)c2)C[C@@]1(C)CO ZINC001462503158 1068087138 /nfs/dbraw/zinc/08/71/38/1068087138.db2.gz GKAQPZSSGRPQLA-OYRHEFFESA-N 0 0 454.792 4.708 20 0 JJADRN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1cccc(Br)c1 ZINC001462511234 1068088537 /nfs/dbraw/zinc/08/85/37/1068088537.db2.gz QNAJRFVXOQLCNC-MRXNPFEDSA-N 0 0 451.405 4.945 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)/C=C/SCc2ccco2)c1 ZINC001462519645 1068090299 /nfs/dbraw/zinc/09/02/99/1068090299.db2.gz ZRWWLWBKNXHWDY-OQHXPNFOSA-N 0 0 458.580 4.856 20 0 JJADRN O=C1CC2(CN(Cc3c(F)ccc(C(F)(F)F)c3Br)C2)N1Cc1ccccc1 ZINC001462520738 1068090645 /nfs/dbraw/zinc/09/06/45/1068090645.db2.gz RCONMCJZRMAFFV-UHFFFAOYSA-N 0 0 457.265 4.594 20 0 JJADRN Cc1ccnc(-c2noc(CC3CCN(C(=O)C(C)(C)Oc4cccc(Cl)c4)CC3)n2)c1 ZINC001462523335 1068091047 /nfs/dbraw/zinc/09/10/47/1068091047.db2.gz KEHFDNLRHLARQQ-UHFFFAOYSA-N 0 0 454.958 4.732 20 0 JJADRN C[C@@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001462527907 1068091843 /nfs/dbraw/zinc/09/18/43/1068091843.db2.gz WYGGRAQLNULZAI-AJHZIAPWSA-N 0 0 479.964 4.645 20 0 JJADRN COc1cccc2c1OCCC[C@@H]2NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001462526734 1068091947 /nfs/dbraw/zinc/09/19/47/1068091947.db2.gz DMQLOJKEKBTOOA-SFTDATJTSA-N 0 0 452.551 4.907 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001462530061 1068092258 /nfs/dbraw/zinc/09/22/58/1068092258.db2.gz ZKHCHWZCZRVOCZ-HNNXBMFYSA-N 0 0 451.880 4.660 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001462531231 1068092892 /nfs/dbraw/zinc/09/28/92/1068092892.db2.gz NOXJGZOGTFTTAX-CQSZACIVSA-N 0 0 455.805 4.675 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001462533769 1068093091 /nfs/dbraw/zinc/09/30/91/1068093091.db2.gz VCFCTLSEWQSRPR-HXUWFJFHSA-N 0 0 451.386 4.518 20 0 JJADRN COc1cc(I)c(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1OC ZINC001462538743 1068094108 /nfs/dbraw/zinc/09/41/08/1068094108.db2.gz IUFYOGDAHJBSLX-UHFFFAOYSA-N 0 0 457.283 4.997 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2nc(CCOC)no2)CC1 ZINC001546132329 1068094696 /nfs/dbraw/zinc/09/46/96/1068094696.db2.gz DYJNPPHCMLLWSS-UHFFFAOYSA-N 0 0 465.385 4.650 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001462542871 1068095194 /nfs/dbraw/zinc/09/51/94/1068095194.db2.gz NWBCKESBQCEUMS-GOSISDBHSA-N 0 0 455.954 4.967 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNCc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1F ZINC001462550451 1068096685 /nfs/dbraw/zinc/09/66/85/1068096685.db2.gz VINGDEHFMJWLLS-MRXNPFEDSA-N 0 0 459.953 4.579 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(Cc3cncc(Br)c3C)CC2)nc1C ZINC001462550948 1068096716 /nfs/dbraw/zinc/09/67/16/1068096716.db2.gz SLAASTRGPPFRII-UHFFFAOYSA-N 0 0 452.418 4.549 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)C(C)C ZINC001462553458 1068097096 /nfs/dbraw/zinc/09/70/96/1068097096.db2.gz LVVMJPATUYJIAD-QRFRQXIXSA-N 0 0 472.607 4.610 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCC1 ZINC001546132420 1068097886 /nfs/dbraw/zinc/09/78/86/1068097886.db2.gz IBAKVHPPGRSITP-QGZVFWFLSA-N 0 0 469.026 4.721 20 0 JJADRN Cc1ccc(/C=C/c2cc(C(=O)NCc3nonc3C)c3cc(Br)ccc3n2)o1 ZINC001462559200 1068097919 /nfs/dbraw/zinc/09/79/19/1068097919.db2.gz YKWNQIGZMUWRLQ-FNORWQNLSA-N 0 0 453.296 4.691 20 0 JJADRN O=C(NCc1ccc(C(F)(F)F)s1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001462561657 1068098362 /nfs/dbraw/zinc/09/83/62/1068098362.db2.gz BOYKUFFZHLJNMJ-UHFFFAOYSA-N 0 0 458.461 4.536 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462563081 1068099064 /nfs/dbraw/zinc/09/90/64/1068099064.db2.gz IIOFHDGUSRIQJN-SFHVURJKSA-N 0 0 450.304 4.993 20 0 JJADRN COC(=O)c1c(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc(C)c1C ZINC001462570099 1068100051 /nfs/dbraw/zinc/10/00/51/1068100051.db2.gz RBBZLMXVQBNMSD-CQSZACIVSA-N 0 0 459.593 4.678 20 0 JJADRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001462570481 1068100578 /nfs/dbraw/zinc/10/05/78/1068100578.db2.gz LMIHDCWJXUZGKV-NZQKXSOJSA-N 0 0 454.998 4.752 20 0 JJADRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001462570487 1068100643 /nfs/dbraw/zinc/10/06/43/1068100643.db2.gz LMIHDCWJXUZGKV-REWPJTCUSA-N 0 0 454.998 4.752 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCc4cc(F)ccc4[C@H]3C)cc2)cc1 ZINC001462574197 1068101083 /nfs/dbraw/zinc/10/10/83/1068101083.db2.gz ZLYPKDGOQZEHGM-GOSISDBHSA-N 0 0 452.551 4.719 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462584881 1068104505 /nfs/dbraw/zinc/10/45/05/1068104505.db2.gz URONWAPGDPZTOV-BEFAXECRSA-N 0 0 452.521 4.699 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N3c4ccc(Br)cc4CCC3(C)C)cn2)C[C@@H](C)O1 ZINC001462585977 1068105100 /nfs/dbraw/zinc/10/51/00/1068105100.db2.gz FQZZDTQNWUUEES-HZPDHXFCSA-N 0 0 458.400 4.829 20 0 JJADRN FC(F)(F)[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C2 ZINC001462586517 1068105217 /nfs/dbraw/zinc/10/52/17/1068105217.db2.gz KVXSIMFVKOUBTO-JXFKEZNVSA-N 0 0 467.359 4.869 20 0 JJADRN COC(=O)[C@@H](NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1cccc2ccccc21 ZINC001462589813 1068105757 /nfs/dbraw/zinc/10/57/57/1068105757.db2.gz VXGFYQSOZFZHGW-NRFANRHFSA-N 0 0 453.539 4.592 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590366 1068106658 /nfs/dbraw/zinc/10/66/58/1068106658.db2.gz LRSZOMRUMVVQKQ-WOJBJXKFSA-N 0 0 452.521 4.767 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)C[C@H]1C(F)(F)F ZINC001462591881 1068106938 /nfs/dbraw/zinc/10/69/38/1068106938.db2.gz WZCBDWONQAYRPD-GPMSIDNRSA-N 0 0 473.850 4.799 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001546132691 1068108360 /nfs/dbraw/zinc/10/83/60/1068108360.db2.gz QHLAMATYQHZVAW-AWEZNQCLSA-N 0 0 452.386 4.719 20 0 JJADRN COCC(C)(C)CCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001462602755 1068110154 /nfs/dbraw/zinc/11/01/54/1068110154.db2.gz VMZIPTVFVUTFNZ-UHFFFAOYSA-N 0 0 453.839 4.972 20 0 JJADRN O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1c(F)ccc(I)c1Cl ZINC001462607863 1068110891 /nfs/dbraw/zinc/11/08/91/1068110891.db2.gz FTQHYMYUQJQWFP-UHFFFAOYSA-N 0 0 450.038 4.866 20 0 JJADRN C[C@H](NC(=O)c1cc(I)ccc1F)c1cccc(OC(F)(F)F)c1 ZINC001462607208 1068110929 /nfs/dbraw/zinc/11/09/29/1068110929.db2.gz CQDDYDZQYZMLAK-VIFPVBQESA-N 0 0 453.173 4.820 20 0 JJADRN CC(C)c1nsc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)n1 ZINC001462610028 1068111511 /nfs/dbraw/zinc/11/15/11/1068111511.db2.gz OVZGJLYDURCVNY-ZDUSSCGKSA-N 0 0 455.378 4.629 20 0 JJADRN C[C@H](NC(=O)c1c(F)cccc1I)c1cccc(OC(F)(F)F)c1 ZINC001462608691 1068111552 /nfs/dbraw/zinc/11/15/52/1068111552.db2.gz GDFZGGCDTCPKQD-VIFPVBQESA-N 0 0 453.173 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCCc3ccccc3Br)CCC[C@H]12 ZINC001462620367 1068113802 /nfs/dbraw/zinc/11/38/02/1068113802.db2.gz APMVZXUNKYDDGU-AVRDEDQJSA-N 0 0 451.405 4.820 20 0 JJADRN CC(C)COc1cc(N[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1Br ZINC001462621265 1068114252 /nfs/dbraw/zinc/11/42/52/1068114252.db2.gz DBEPHWIRHGCBSE-KXBFYZLASA-N 0 0 457.409 4.920 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462626777 1068116295 /nfs/dbraw/zinc/11/62/95/1068116295.db2.gz DOWUSVLEELQUKI-GFCCVEGCSA-N 0 0 458.814 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC001462629146 1068117063 /nfs/dbraw/zinc/11/70/63/1068117063.db2.gz VAJPLLKFOJATIO-NRFANRHFSA-N 0 0 456.562 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC001462630531 1068117468 /nfs/dbraw/zinc/11/74/68/1068117468.db2.gz ZPALJOIKJLNPOA-SFHVURJKSA-N 0 0 450.963 4.758 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)cn2)C[C@H](C)O1 ZINC001462632184 1068118290 /nfs/dbraw/zinc/11/82/90/1068118290.db2.gz YNEZTKXGCVJUII-OKILXGFUSA-N 0 0 453.892 4.960 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@H](C)O1 ZINC001462634275 1068119357 /nfs/dbraw/zinc/11/93/57/1068119357.db2.gz LPLFGMHKPGFYPN-HDICACEKSA-N 0 0 457.412 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1)C1CCCC1 ZINC001462635262 1068119444 /nfs/dbraw/zinc/11/94/44/1068119444.db2.gz QVNHPCPWIUOYBO-GCJKJVERSA-N 0 0 456.631 4.982 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001462636385 1068120193 /nfs/dbraw/zinc/12/01/93/1068120193.db2.gz YZQBRADGLVJMQC-QAPCUYQASA-N 0 0 453.421 4.782 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001462657728 1068125937 /nfs/dbraw/zinc/12/59/37/1068125937.db2.gz KBAOMUAFZAKXLW-AWEZNQCLSA-N 0 0 450.638 4.765 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462658174 1068126443 /nfs/dbraw/zinc/12/64/43/1068126443.db2.gz FCLKGDWGUWGHIJ-DNVCBOLYSA-N 0 0 459.974 4.639 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCc2cnc3ccccc3c2)[C@H]1c1ccccc1OC ZINC001462659068 1068126510 /nfs/dbraw/zinc/12/65/10/1068126510.db2.gz BDCCYLYXTOWWKZ-YIXXDRMTSA-N 0 0 459.590 4.682 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC001462669173 1068127177 /nfs/dbraw/zinc/12/71/77/1068127177.db2.gz NTOKWOFKPVQNTE-LJQANCHMSA-N 0 0 451.372 4.661 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666008 1068127228 /nfs/dbraw/zinc/12/72/28/1068127228.db2.gz ZRXMVVNBMHTDNH-CZUORRHYSA-N 0 0 452.502 4.729 20 0 JJADRN COc1ccc(CNC(=O)c2c(Cl)ccc(I)c2F)cc1Cl ZINC001462674492 1068128479 /nfs/dbraw/zinc/12/84/79/1068128479.db2.gz IHOJJLATABHKPG-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1cc(C(F)(F)F)nn1C ZINC001462673126 1068128650 /nfs/dbraw/zinc/12/86/50/1068128650.db2.gz ADFXTNISVXBUTM-LLVKDONJSA-N 0 0 458.893 4.685 20 0 JJADRN Cc1cc(F)ccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001462677734 1068129151 /nfs/dbraw/zinc/12/91/51/1068129151.db2.gz VQSXGQJXTGQJHK-GOSISDBHSA-N 0 0 454.567 4.565 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001462678472 1068129226 /nfs/dbraw/zinc/12/92/26/1068129226.db2.gz XZMOSNOBIUQBQG-JXFKEZNVSA-N 0 0 454.876 4.593 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001462678479 1068129272 /nfs/dbraw/zinc/12/92/72/1068129272.db2.gz XZMOSNOBIUQBQG-UZLBHIALSA-N 0 0 454.876 4.593 20 0 JJADRN C/C(=C/C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1C(F)(F)F ZINC001462678732 1068129894 /nfs/dbraw/zinc/12/98/94/1068129894.db2.gz QCKOQBWGVBPQKR-CSCNLMTOSA-N 0 0 453.501 4.894 20 0 JJADRN C/C(=C\C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1C(F)(F)F ZINC001462678734 1068129936 /nfs/dbraw/zinc/12/99/36/1068129936.db2.gz QCKOQBWGVBPQKR-LAZSBTBMSA-N 0 0 453.501 4.894 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c(F)cc(F)cc2F)cc1 ZINC001462680646 1068130448 /nfs/dbraw/zinc/13/04/48/1068130448.db2.gz XZYUPKYBLCIQGJ-UHFFFAOYSA-N 0 0 451.448 4.954 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)Cc1csc3ccc(Cl)cc13)O2 ZINC001462681218 1068130475 /nfs/dbraw/zinc/13/04/75/1068130475.db2.gz WYIANNVXFWHOFQ-FXVOITISSA-N 0 0 450.000 4.883 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001462680878 1068130514 /nfs/dbraw/zinc/13/05/14/1068130514.db2.gz XDDOGIRMDKRFCB-VWLOTQADSA-N 0 0 457.574 4.995 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001462680873 1068130532 /nfs/dbraw/zinc/13/05/32/1068130532.db2.gz XDDOGIRMDKRFCB-RUZDIDTESA-N 0 0 457.574 4.995 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cc(Cl)cc(Cl)c1F ZINC001462681827 1068130572 /nfs/dbraw/zinc/13/05/72/1068130572.db2.gz WBYHBPWELXAUES-GFCCVEGCSA-N 0 0 459.370 4.844 20 0 JJADRN CN(C)[C@@H](CCNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001462684228 1068131284 /nfs/dbraw/zinc/13/12/84/1068131284.db2.gz CPCGEWVKAFVUCZ-AWEZNQCLSA-N 0 0 451.917 4.879 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)NCc2cc(Br)cc(OC)c2)c1C(F)F ZINC001462690536 1068132025 /nfs/dbraw/zinc/13/20/25/1068132025.db2.gz QUDLDCFURZQSHO-UHFFFAOYSA-N 0 0 456.209 4.561 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC[C@H](N(C)C)C(F)(F)F)cc12 ZINC001462686485 1068132050 /nfs/dbraw/zinc/13/20/50/1068132050.db2.gz YTDDMPBAPLTMFE-KRWDZBQOSA-N 0 0 458.937 4.720 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Oc2ccc(Cl)cc2Br)c1 ZINC001462688744 1068132058 /nfs/dbraw/zinc/13/20/58/1068132058.db2.gz ZMOSSGQMHMUXGR-UHFFFAOYSA-N 0 0 454.125 4.619 20 0 JJADRN CC(C)Cn1cnc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)Oc2ccccc2)c1 ZINC001462694292 1068133476 /nfs/dbraw/zinc/13/34/76/1068133476.db2.gz KTFHFKUTUKZCBQ-UHFFFAOYSA-N 0 0 450.516 4.679 20 0 JJADRN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC001462695612 1068134144 /nfs/dbraw/zinc/13/41/44/1068134144.db2.gz WFPQKOLNHXQZTD-UHFFFAOYSA-N 0 0 451.422 4.539 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(F)c(Br)c3F)ccc12 ZINC001462694728 1068134192 /nfs/dbraw/zinc/13/41/92/1068134192.db2.gz JAXSSQPRPDFERH-UHFFFAOYSA-N 0 0 459.264 4.554 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)Oc2ccccc2C(=O)N2CCCCC2)c1Br ZINC001462696380 1068134795 /nfs/dbraw/zinc/13/47/95/1068134795.db2.gz YXNGFLKNMNCSGQ-UHFFFAOYSA-N 0 0 458.399 4.521 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001462699747 1068135191 /nfs/dbraw/zinc/13/51/91/1068135191.db2.gz STUAZPKDDFERFP-RTBURBONSA-N 0 0 451.405 4.594 20 0 JJADRN CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC001462701872 1068135643 /nfs/dbraw/zinc/13/56/43/1068135643.db2.gz OBXCEEFZIYBLLW-HNNXBMFYSA-N 0 0 453.402 4.705 20 0 JJADRN Cc1c(NC(=O)c2nccc3cccnc32)cc(I)cc1C(F)(F)F ZINC001462702224 1068135691 /nfs/dbraw/zinc/13/56/91/1068135691.db2.gz KWIGQWYEGJVUAC-UHFFFAOYSA-N 0 0 457.193 4.814 20 0 JJADRN O=S(=O)(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Oc1ccc2cc(Br)ccc2c1 ZINC001462702843 1068135800 /nfs/dbraw/zinc/13/58/00/1068135800.db2.gz ZKHKJIURBCRNRP-CVEARBPZSA-N 0 0 453.276 4.811 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)c3c(C)c4cc(Br)ccc4oc3=O)co2)cc1 ZINC001462701524 1068135819 /nfs/dbraw/zinc/13/58/19/1068135819.db2.gz SMWYQAHGSVBVJF-UHFFFAOYSA-N 0 0 453.292 4.757 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001462704635 1068137077 /nfs/dbraw/zinc/13/70/77/1068137077.db2.gz VQBUBHTVDCTAQE-NHYWBVRUSA-N 0 0 455.146 4.619 20 0 JJADRN COc1cc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)ccc1Br ZINC001462705762 1068137681 /nfs/dbraw/zinc/13/76/81/1068137681.db2.gz FDHMHNVLVGNMOR-VDGAXYAQSA-N 0 0 458.352 4.584 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N2C[C@@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)Oc2ccccc21 ZINC001462706856 1068137691 /nfs/dbraw/zinc/13/76/91/1068137691.db2.gz GQHHGUADKGWLME-BUXKBTBVSA-N 0 0 452.860 4.698 20 0 JJADRN COCC(=O)N(C)CC(=O)N(C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001462707104 1068138267 /nfs/dbraw/zinc/13/82/67/1068138267.db2.gz GSSYOXNAMYQLIV-UHFFFAOYSA-N 0 0 459.757 4.502 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cc(Br)c2ccccc2c1 ZINC001462708053 1068138312 /nfs/dbraw/zinc/13/83/12/1068138312.db2.gz TVPATUSDTJSBRW-UHFFFAOYSA-N 0 0 452.274 4.623 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001462712371 1068139445 /nfs/dbraw/zinc/13/94/45/1068139445.db2.gz HXQXBHATBVOMDB-IAGOWNOFSA-N 0 0 452.339 4.939 20 0 JJADRN CC(=O)c1c(OS(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)ccc2c(C)cc(=O)oc21 ZINC001462715950 1068140542 /nfs/dbraw/zinc/14/05/42/1068140542.db2.gz NYCPGJNABPRFNT-UHFFFAOYSA-N 0 0 455.513 4.504 20 0 JJADRN COCC[C@H](C)S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718070 1068141232 /nfs/dbraw/zinc/14/12/32/1068141232.db2.gz JPGDMAACXYWXKM-LIRRHRJNSA-N 0 0 455.407 4.951 20 0 JJADRN CCc1ccc(CS(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC001462719163 1068141258 /nfs/dbraw/zinc/14/12/58/1068141258.db2.gz SOWSMNJYLWGPFA-SANMLTNESA-N 0 0 451.588 4.744 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC001462719084 1068141270 /nfs/dbraw/zinc/14/12/70/1068141270.db2.gz SERAEKHKOJNAKI-UHFFFAOYSA-N 0 0 459.395 4.693 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001462718009 1068141369 /nfs/dbraw/zinc/14/13/69/1068141369.db2.gz GKBXFXLMGWJGOH-HNAYVOBHSA-N 0 0 457.523 4.705 20 0 JJADRN COCC[C@H](C)S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718057 1068141391 /nfs/dbraw/zinc/14/13/91/1068141391.db2.gz JPGDMAACXYWXKM-IFXJQAMLSA-N 0 0 455.407 4.951 20 0 JJADRN CCOc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1OCC ZINC001462719168 1068141748 /nfs/dbraw/zinc/14/17/48/1068141748.db2.gz SSDMYZDAPAYCCV-UHFFFAOYSA-N 0 0 451.894 4.677 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)c(Cl)cc1NC(C)=O ZINC001462722224 1068142371 /nfs/dbraw/zinc/14/23/71/1068142371.db2.gz LZZQUKBGXDKRCK-IBGZPJMESA-N 0 0 453.322 4.781 20 0 JJADRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001462722332 1068142419 /nfs/dbraw/zinc/14/24/19/1068142419.db2.gz NHBQTYLDYXNIPE-BBRMVZONSA-N 0 0 457.379 4.656 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c(Cl)cc1NC(C)=O ZINC001462723181 1068142753 /nfs/dbraw/zinc/14/27/53/1068142753.db2.gz OFHTWWOMHGTHDM-UHFFFAOYSA-N 0 0 459.930 4.630 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(Cl)cc1NC(C)=O ZINC001462722416 1068142768 /nfs/dbraw/zinc/14/27/68/1068142768.db2.gz NOLDPFQPSSEXEL-ZDUSSCGKSA-N 0 0 454.910 4.989 20 0 JJADRN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@@H]1c1ccccc1 ZINC001462724429 1068143361 /nfs/dbraw/zinc/14/33/61/1068143361.db2.gz RMONYXIGGDPYRI-VGSWGCGISA-N 0 0 455.396 4.911 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1)c1ccccc1 ZINC001462725115 1068143950 /nfs/dbraw/zinc/14/39/50/1068143950.db2.gz WHUPYFCHKKBUKJ-UHFFFAOYSA-N 0 0 453.850 4.961 20 0 JJADRN CN(CCOc1ccc(Br)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001462727444 1068144575 /nfs/dbraw/zinc/14/45/75/1068144575.db2.gz YJPLISUQTHAUGH-UHFFFAOYSA-N 0 0 453.185 4.597 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc(Cl)c1OCCC(C)C ZINC001462727986 1068145182 /nfs/dbraw/zinc/14/51/82/1068145182.db2.gz AGZGVRAUHSZCOE-IBGZPJMESA-N 0 0 454.007 4.869 20 0 JJADRN Cc1nn(C)c(Cl)c1S(=O)(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 ZINC001462730193 1068146527 /nfs/dbraw/zinc/14/65/27/1068146527.db2.gz QHQBIOXQAXFXNM-CYBMUJFWSA-N 0 0 458.436 4.919 20 0 JJADRN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001462733025 1068147149 /nfs/dbraw/zinc/14/71/49/1068147149.db2.gz SMPTWVSEDVTPLT-LJQANCHMSA-N 0 0 459.837 4.772 20 0 JJADRN COc1ccccc1[C@H](CNS(=O)(=O)Cc1ccc(C2CCCCC2)cc1)N1CCCC1 ZINC001462734770 1068147649 /nfs/dbraw/zinc/14/76/49/1068147649.db2.gz SZBMXSOVJHGMFX-VWLOTQADSA-N 0 0 456.652 4.999 20 0 JJADRN COC(=O)c1coc(S(=O)(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)c1 ZINC001462734343 1068147714 /nfs/dbraw/zinc/14/77/14/1068147714.db2.gz ZKKOYNVHGIADMJ-AWEZNQCLSA-N 0 0 453.969 4.603 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001462736166 1068148938 /nfs/dbraw/zinc/14/89/38/1068148938.db2.gz VFYLQUMRBUUJNN-IFMALSPDSA-N 0 0 468.594 4.654 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(Br)c1 ZINC001462737461 1068148942 /nfs/dbraw/zinc/14/89/42/1068148942.db2.gz RSIQXEGYNHMVER-GOSISDBHSA-N 0 0 454.386 4.692 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2cnn(-c3ccccc3F)c2)s1 ZINC001462736229 1068148947 /nfs/dbraw/zinc/14/89/47/1068148947.db2.gz BUILNUKIZRCIRK-UHFFFAOYSA-N 0 0 455.580 4.815 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001462737412 1068148949 /nfs/dbraw/zinc/14/89/49/1068148949.db2.gz HXDIHAOGPLAKFZ-LBPRGKRZSA-N 0 0 450.807 4.534 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1F ZINC001462737052 1068148950 /nfs/dbraw/zinc/14/89/50/1068148950.db2.gz QVJXKSWJXKTSGE-UHFFFAOYSA-N 0 0 456.930 4.548 20 0 JJADRN CO[C@@H](CS(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CCCC1 ZINC001462739435 1068150142 /nfs/dbraw/zinc/15/01/42/1068150142.db2.gz XYHLNNSSKSBLMA-NRFANRHFSA-N 0 0 459.637 4.568 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccnc1 ZINC001462740567 1068150564 /nfs/dbraw/zinc/15/05/64/1068150564.db2.gz KGPMLOJLJCPEFQ-CYBMUJFWSA-N 0 0 451.317 4.815 20 0 JJADRN COc1ccc(C[C@H](NS(=O)(=O)c2cscc2C(F)F)c2ccc(OC)cc2)cc1 ZINC001462741300 1068151308 /nfs/dbraw/zinc/15/13/08/1068151308.db2.gz GVRYTVBRLAXLBF-IBGZPJMESA-N 0 0 453.532 4.965 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546133989 1068151345 /nfs/dbraw/zinc/15/13/45/1068151345.db2.gz HUIHMHRUQORIMJ-IBGZPJMESA-N 0 0 455.603 4.590 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1C(F)(F)F ZINC001462741434 1068151381 /nfs/dbraw/zinc/15/13/81/1068151381.db2.gz ICWXJEWQEUOFDW-UHFFFAOYSA-N 0 0 455.498 4.969 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)c(F)cc1Cl ZINC001462743456 1068151694 /nfs/dbraw/zinc/15/16/94/1068151694.db2.gz AEKNHOFFECAPOF-LJQANCHMSA-N 0 0 455.935 4.580 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)c2ccc(OCCOC)c(C)c2)c2cccc(F)c2)cc1 ZINC001462742615 1068151787 /nfs/dbraw/zinc/15/17/87/1068151787.db2.gz ILXGETRAPONJKB-VWLOTQADSA-N 0 0 457.567 4.790 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC001462742740 1068151926 /nfs/dbraw/zinc/15/19/26/1068151926.db2.gz ZYNIEAJDIBLHJE-BXKMTCNYSA-N 0 0 460.505 4.767 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462744811 1068152545 /nfs/dbraw/zinc/15/25/45/1068152545.db2.gz OWVACVKJBWWUEL-PZUNEJSGSA-N 0 0 472.651 4.961 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001462748487 1068153831 /nfs/dbraw/zinc/15/38/31/1068153831.db2.gz QXGCVLGXPZHOAR-UHFFFAOYSA-N 0 0 457.905 4.699 20 0 JJADRN CC(C)OC(=O)C[C@H](NS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001462749008 1068153872 /nfs/dbraw/zinc/15/38/72/1068153872.db2.gz WSQQHQNETNYDJX-FQEVSTJZSA-N 0 0 457.514 4.640 20 0 JJADRN CC(C)c1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c2cccs2)cc1 ZINC001462751176 1068155150 /nfs/dbraw/zinc/15/51/50/1068155150.db2.gz KJQNHHITMZOTJK-NRFANRHFSA-N 0 0 458.630 4.853 20 0 JJADRN COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462751072 1068155155 /nfs/dbraw/zinc/15/51/55/1068155155.db2.gz FDJYQXMUUZOZAI-QHCPKHFHSA-N 0 0 455.601 4.790 20 0 JJADRN O=C(CCc1ccc(F)c2c1CCCC2)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001462753024 1068155710 /nfs/dbraw/zinc/15/57/10/1068155710.db2.gz GDQDYWARLUOYDC-UHFFFAOYSA-N 0 0 456.359 4.902 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001462754367 1068156479 /nfs/dbraw/zinc/15/64/79/1068156479.db2.gz HATGIGGTNNGVKL-IEBWSBKVSA-N 0 0 459.633 4.914 20 0 JJADRN CCN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462755787 1068156863 /nfs/dbraw/zinc/15/68/63/1068156863.db2.gz JGGTYAGRVFHTPT-IBGZPJMESA-N 0 0 456.587 4.797 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C(C)C ZINC001462755845 1068156949 /nfs/dbraw/zinc/15/69/49/1068156949.db2.gz SNKWQIIMQDOLDS-UHFFFAOYSA-N 0 0 451.032 4.723 20 0 JJADRN CCN(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462760244 1068158219 /nfs/dbraw/zinc/15/82/19/1068158219.db2.gz UOCDDYDACQXQFR-KRWDZBQOSA-N 0 0 451.995 4.918 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762464 1068158838 /nfs/dbraw/zinc/15/88/38/1068158838.db2.gz JKLBDYHKPBMZQG-UYAOXDASSA-N 0 0 477.914 4.932 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCc2ccc3ncccc3c2)[C@H]1c1ccc(OC)cc1 ZINC001462761329 1068158873 /nfs/dbraw/zinc/15/88/73/1068158873.db2.gz DPJJKSIAWPDIMM-RPLLCQBOSA-N 0 0 459.590 4.682 20 0 JJADRN C[C@H](c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1)C(F)(F)F ZINC001462763134 1068158882 /nfs/dbraw/zinc/15/88/82/1068158882.db2.gz HYBZYKZRLYJLCD-CZUORRHYSA-N 0 0 450.448 4.975 20 0 JJADRN O=S(=O)(C1=Cc2cc(F)cc(Cl)c2OC1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001462764183 1068159525 /nfs/dbraw/zinc/15/95/25/1068159525.db2.gz JIBIEJDWABQMDE-INIZCTEOSA-N 0 0 458.338 4.739 20 0 JJADRN Cc1cc(C)c2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)ccc2n1 ZINC001462766796 1068160188 /nfs/dbraw/zinc/16/01/88/1068160188.db2.gz QLWBRQUAUMTZHA-IBGZPJMESA-N 0 0 451.592 4.975 20 0 JJADRN CN(Cc1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001462768466 1068160552 /nfs/dbraw/zinc/16/05/52/1068160552.db2.gz SLZMRGYKBPMCAU-UHFFFAOYSA-N 0 0 458.683 4.822 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C3)c3c2CCCC3)cc1 ZINC001462769718 1068161915 /nfs/dbraw/zinc/16/19/15/1068161915.db2.gz MBFSLJWCSJIPJQ-WOJBJXKFSA-N 0 0 466.626 4.682 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1Cl ZINC001462769667 1068161919 /nfs/dbraw/zinc/16/19/19/1068161919.db2.gz WIJKLIGFTYWLLX-FQEVSTJZSA-N 0 0 459.823 4.872 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001462769972 1068161937 /nfs/dbraw/zinc/16/19/37/1068161937.db2.gz XHENGTPPXHKEIO-MJGOQNOKSA-N 0 0 454.558 4.894 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001462772189 1068163107 /nfs/dbraw/zinc/16/31/07/1068163107.db2.gz QCDLFVSDYROVKF-UHFFFAOYSA-N 0 0 451.361 4.946 20 0 JJADRN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cc(I)c(Cl)cc1Cl ZINC001462774228 1068163688 /nfs/dbraw/zinc/16/36/88/1068163688.db2.gz DSTPUYCRTBNBCP-JTQLQIEISA-N 0 0 454.135 4.677 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001462773383 1068163693 /nfs/dbraw/zinc/16/36/93/1068163693.db2.gz IAYQFAHNMBQVBE-HZPDHXFCSA-N 0 0 469.420 4.859 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC001462773145 1068163732 /nfs/dbraw/zinc/16/37/32/1068163732.db2.gz YMONSBLLKUJCDW-UHFFFAOYSA-N 0 0 458.879 4.510 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Cl)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462775670 1068164369 /nfs/dbraw/zinc/16/43/69/1068164369.db2.gz SULBERYPVWMANG-UKRRQHHQSA-N 0 0 459.812 4.654 20 0 JJADRN CCN(C(=O)CNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1)c1ccccc1 ZINC001462778603 1068165255 /nfs/dbraw/zinc/16/52/55/1068165255.db2.gz NRTANYUYXFUUJD-UHFFFAOYSA-N 0 0 455.558 4.945 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)cnn1-c1ccc(C)cc1 ZINC001462779101 1068165887 /nfs/dbraw/zinc/16/58/87/1068165887.db2.gz ZMLDSKSUYYZWPD-UHFFFAOYSA-N 0 0 456.502 4.969 20 0 JJADRN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001462779271 1068165909 /nfs/dbraw/zinc/16/59/09/1068165909.db2.gz QURFYUFUCNSUGE-FQEVSTJZSA-N 0 0 450.391 4.735 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001462782909 1068166910 /nfs/dbraw/zinc/16/69/10/1068166910.db2.gz NOVRGKDNLRPWJG-UHFFFAOYSA-N 0 0 450.408 4.588 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001462786108 1068167016 /nfs/dbraw/zinc/16/70/16/1068167016.db2.gz ZSCDQIXSLUCPKS-UHFFFAOYSA-N 0 0 454.592 4.975 20 0 JJADRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1scc(Br)c1Br ZINC001462781840 1068167062 /nfs/dbraw/zinc/16/70/62/1068167062.db2.gz IJNYSUDRQPGTBV-UHFFFAOYSA-N 0 0 451.205 4.723 20 0 JJADRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001462790274 1068167917 /nfs/dbraw/zinc/16/79/17/1068167917.db2.gz BZWUTCVHVFGGOO-CYBMUJFWSA-N 0 0 459.370 4.750 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC001462790369 1068168042 /nfs/dbraw/zinc/16/80/42/1068168042.db2.gz IFOULBQSNJWFFX-LJQANCHMSA-N 0 0 454.311 4.861 20 0 JJADRN COc1ccc2ccccc2c1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC001462800509 1068171201 /nfs/dbraw/zinc/17/12/01/1068171201.db2.gz FQAJIOCHNFBGJC-UHFFFAOYSA-N 0 0 454.773 4.884 20 0 JJADRN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001462800835 1068171225 /nfs/dbraw/zinc/17/12/25/1068171225.db2.gz BCWULMQUGRWCPH-UHFFFAOYSA-N 0 0 450.988 4.714 20 0 JJADRN COC[C@@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)[C@@H]1CCCOC1 ZINC001462803475 1068171745 /nfs/dbraw/zinc/17/17/45/1068171745.db2.gz GFMFCURIGQYFPV-DENIHFKCSA-N 0 0 453.970 4.673 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H]1CC2(CCC2)CO1)c1cccc(Cl)c1Cl ZINC001462810849 1068173386 /nfs/dbraw/zinc/17/33/86/1068173386.db2.gz AUWCPWKSXUFGGY-KBXCAEBGSA-N 0 0 457.398 4.977 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)c1ccccc1OC(F)F ZINC001462813048 1068173966 /nfs/dbraw/zinc/17/39/66/1068173966.db2.gz DRDLVDHSVBVPHQ-SFHVURJKSA-N 0 0 459.474 4.921 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)[C@H]1c1ccc(F)c(F)c1 ZINC001462812456 1068173977 /nfs/dbraw/zinc/17/39/77/1068173977.db2.gz CCHYVLSPRPLAAH-GHTZIAJQSA-N 0 0 473.520 4.593 20 0 JJADRN CC(C)(C)n1cc(C(=O)NCCc2ccc3c(c2)OCCCO3)c(-c2ccc(F)cc2F)n1 ZINC001462812981 1068174005 /nfs/dbraw/zinc/17/40/05/1068174005.db2.gz FJIUDUWTQCYAHG-UHFFFAOYSA-N 0 0 455.505 4.717 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1Br ZINC001462815544 1068175080 /nfs/dbraw/zinc/17/50/80/1068175080.db2.gz LNGFAQWTEZIISM-LJQANCHMSA-N 0 0 456.402 4.540 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC001462820553 1068176174 /nfs/dbraw/zinc/17/61/74/1068176174.db2.gz XJRJPFVISZFABB-YVEFUNNKSA-N 0 0 457.470 4.562 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001546134304 1068176238 /nfs/dbraw/zinc/17/62/38/1068176238.db2.gz RYIJTHZZGMUMJH-LJQANCHMSA-N 0 0 485.629 4.646 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC=CCC1 ZINC001462820957 1068176284 /nfs/dbraw/zinc/17/62/84/1068176284.db2.gz OKVWZTZFGMYYTK-GOSISDBHSA-N 0 0 453.377 4.639 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC001462821464 1068176865 /nfs/dbraw/zinc/17/68/65/1068176865.db2.gz DXJAZIQBKTUUOB-UKRRQHHQSA-N 0 0 455.304 4.840 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc21 ZINC001462824377 1068178086 /nfs/dbraw/zinc/17/80/86/1068178086.db2.gz NAMHHQBKFQJODH-CRICUBBOSA-N 0 0 452.551 4.754 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc21 ZINC001462824384 1068178118 /nfs/dbraw/zinc/17/81/18/1068178118.db2.gz NAMHHQBKFQJODH-GKVSMKOHSA-N 0 0 452.551 4.754 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC001462827386 1068179503 /nfs/dbraw/zinc/17/95/03/1068179503.db2.gz ZUXJLXFPGPXZKM-HXUWFJFHSA-N 0 0 450.329 4.665 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cs1 ZINC001462826959 1068179615 /nfs/dbraw/zinc/17/96/15/1068179615.db2.gz UJYLIWFPLXLDHO-SIKLNZKXSA-N 0 0 473.570 4.724 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462830067 1068180824 /nfs/dbraw/zinc/18/08/24/1068180824.db2.gz FKJMAYLTKFLUCZ-IUODEOHRSA-N 0 0 467.353 4.561 20 0 JJADRN C[C@H](NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830738 1068181899 /nfs/dbraw/zinc/18/18/99/1068181899.db2.gz HCRZJVWCHXDYFM-ZDUSSCGKSA-N 0 0 452.458 4.717 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)CCCn1c(=O)oc2ccccc21 ZINC001462831464 1068181985 /nfs/dbraw/zinc/18/19/85/1068181985.db2.gz PPRKNCCCMGDXGG-HSZRJFAPSA-N 0 0 457.368 4.761 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 ZINC001462832091 1068182526 /nfs/dbraw/zinc/18/25/26/1068182526.db2.gz LIKSTFBQNVOHLP-UHFFFAOYSA-N 0 0 457.905 4.682 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1Br ZINC001462832124 1068182641 /nfs/dbraw/zinc/18/26/41/1068182641.db2.gz ZTLGITFXNFOIQR-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)c1cnc(F)c(Br)c1 ZINC001462832983 1068183228 /nfs/dbraw/zinc/18/32/28/1068183228.db2.gz XVAIGGRVXSRKFJ-GOSISDBHSA-N 0 0 456.153 4.983 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC001462834013 1068183786 /nfs/dbraw/zinc/18/37/86/1068183786.db2.gz KJOVHHUBHPHCMI-UHFFFAOYSA-N 0 0 456.545 4.602 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cn2)c1 ZINC001462834967 1068183831 /nfs/dbraw/zinc/18/38/31/1068183831.db2.gz WAAZAQNPKCCMPY-MRXNPFEDSA-N 0 0 458.967 4.946 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)N1CCSCC1 ZINC001462835219 1068184488 /nfs/dbraw/zinc/18/44/88/1068184488.db2.gz YWZNMMNRRKBQTB-SFHVURJKSA-N 0 0 456.464 4.913 20 0 JJADRN CCC[C@H](C)CS(=O)(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001462836746 1068184585 /nfs/dbraw/zinc/18/45/85/1068184585.db2.gz LKJYTAABKGZTCR-UWJYYQICSA-N 0 0 452.711 4.925 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1Cl ZINC001462838043 1068185101 /nfs/dbraw/zinc/18/51/01/1068185101.db2.gz YPDAGXRKGIHMBQ-UHFFFAOYSA-N 0 0 451.416 4.678 20 0 JJADRN O=S(=O)(NCc1ccc(COc2ccccc2)cc1)c1cc(Br)ccc1F ZINC001462838013 1068185123 /nfs/dbraw/zinc/18/51/23/1068185123.db2.gz YJONADGNXPNOEC-UHFFFAOYSA-N 0 0 450.329 4.646 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)O2 ZINC001462839693 1068185763 /nfs/dbraw/zinc/18/57/63/1068185763.db2.gz JNTBNTXCZHLBAB-BTVJOJNESA-N 0 0 457.517 4.917 20 0 JJADRN COc1cc(CNS(=O)(=O)c2ccc(C)cc2Br)ccc1OCCC(C)C ZINC001462839463 1068185790 /nfs/dbraw/zinc/18/57/90/1068185790.db2.gz CIKBPOLHQYHKIT-UHFFFAOYSA-N 0 0 456.402 4.670 20 0 JJADRN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001462839373 1068185805 /nfs/dbraw/zinc/18/58/05/1068185805.db2.gz XGYVBGOPMZNOAM-IBGZPJMESA-N 0 0 457.523 4.512 20 0 JJADRN CCC1(Cn2c(-c3ccccc3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546134484 1068185862 /nfs/dbraw/zinc/18/58/62/1068185862.db2.gz YSAOHPRVYHOUIG-QFIPXVFZSA-N 0 0 483.657 4.988 20 0 JJADRN O=S(=O)(c1c(F)cccc1Br)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001462841511 1068186859 /nfs/dbraw/zinc/18/68/59/1068186859.db2.gz AUFZHTBIJXLZJT-UHFFFAOYSA-N 0 0 453.308 4.687 20 0 JJADRN COc1cc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(F)(F)F ZINC001462844819 1068187416 /nfs/dbraw/zinc/18/74/16/1068187416.db2.gz MCGOBZVDAOREHS-UHFFFAOYSA-N 0 0 451.466 4.782 20 0 JJADRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001462844228 1068187503 /nfs/dbraw/zinc/18/75/03/1068187503.db2.gz ARIDEPFOZZOPKY-CQSZACIVSA-N 0 0 452.370 4.576 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)C(CC)(CC)c1ccc(Cl)c(Cl)c1)C2 ZINC001462844860 1068187559 /nfs/dbraw/zinc/18/75/59/1068187559.db2.gz ZSXGEMLRRXBEJN-CQSZACIVSA-N 0 0 452.382 4.855 20 0 JJADRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC001462847332 1068188733 /nfs/dbraw/zinc/18/87/33/1068188733.db2.gz WZGKBMJINOVKHA-SFHVURJKSA-N 0 0 456.372 4.909 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001462848153 1068189157 /nfs/dbraw/zinc/18/91/57/1068189157.db2.gz NZEJPNQAYAXWMO-UHFFFAOYSA-N 0 0 456.377 4.549 20 0 JJADRN CCc1ccc(S(=O)(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1CC ZINC001462847995 1068189258 /nfs/dbraw/zinc/18/92/58/1068189258.db2.gz UFDIBUHPVKSMMU-UHFFFAOYSA-N 0 0 450.604 4.528 20 0 JJADRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC001462848726 1068189327 /nfs/dbraw/zinc/18/93/27/1068189327.db2.gz MEEMBJOHRLVFIT-ZDUSSCGKSA-N 0 0 458.349 4.537 20 0 JJADRN CCOC(=O)[C@](C)(NC(=O)Cc1ccc(SCC)cc1Br)c1ccccc1 ZINC001462849069 1068190011 /nfs/dbraw/zinc/19/00/11/1068190011.db2.gz YXSDESWYCCTDQB-OAQYLSRUSA-N 0 0 450.398 4.698 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1OC1CCCC1 ZINC001462851859 1068190560 /nfs/dbraw/zinc/19/05/60/1068190560.db2.gz UCZWAITUSZNWOO-ZDUSSCGKSA-N 0 0 450.944 4.851 20 0 JJADRN Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 ZINC001462852985 1068190988 /nfs/dbraw/zinc/19/09/88/1068190988.db2.gz XLANDMNKGAIEOP-IBGZPJMESA-N 0 0 454.567 4.804 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001462853879 1068191585 /nfs/dbraw/zinc/19/15/85/1068191585.db2.gz OLKTUJOYUKMXCB-UHFFFAOYSA-N 0 0 455.477 4.796 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC001462854880 1068192371 /nfs/dbraw/zinc/19/23/71/1068192371.db2.gz NGTPBQIKPUJYLO-UHFFFAOYSA-N 0 0 456.564 4.767 20 0 JJADRN CCOc1cc(CNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1OC(F)F ZINC001462857090 1068193051 /nfs/dbraw/zinc/19/30/51/1068193051.db2.gz BEKXECHXUBZQJA-UHFFFAOYSA-N 0 0 457.442 4.777 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2cc(Br)cnc2n1 ZINC001462865003 1068195764 /nfs/dbraw/zinc/19/57/64/1068195764.db2.gz JQPZWIUXQRDPQU-UHFFFAOYSA-N 0 0 459.250 4.897 20 0 JJADRN CC(C)Oc1ccc(CC[C@@H](C)NS(=O)(=O)CCc2ccccc2Br)cc1 ZINC001462869919 1068197286 /nfs/dbraw/zinc/19/72/86/1068197286.db2.gz MBFFYKOKRNWPQA-QGZVFWFLSA-N 0 0 454.430 4.720 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N(Cc1cccc(F)c1)C1CC1 ZINC001462870061 1068197889 /nfs/dbraw/zinc/19/78/89/1068197889.db2.gz LWWAOOWGHBGIAX-FQEVSTJZSA-N 0 0 453.963 4.780 20 0 JJADRN O=S(=O)(NCc1ccc(OCc2ccccn2)cc1)c1cc(Cl)ccc1OCC1CC1 ZINC001462871059 1068197929 /nfs/dbraw/zinc/19/79/29/1068197929.db2.gz NIAFSMVFBVVDFC-UHFFFAOYSA-N 0 0 458.967 4.581 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c(F)cc1Br ZINC001462870302 1068197950 /nfs/dbraw/zinc/19/79/50/1068197950.db2.gz NTHZJGFGBAMZGH-HNNXBMFYSA-N 0 0 458.393 4.983 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C2CC2)O1)N(Cc1cccs1)c1ccc(Br)cc1 ZINC001462871894 1068197954 /nfs/dbraw/zinc/19/79/54/1068197954.db2.gz DPNDZWWFNOKRIJ-HKUYNNGSSA-N 0 0 456.427 4.805 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C2CC2)O1)N(Cc1cccs1)c1ccc(Br)cc1 ZINC001462871915 1068198439 /nfs/dbraw/zinc/19/84/39/1068198439.db2.gz DPNDZWWFNOKRIJ-PKOBYXMFSA-N 0 0 456.427 4.805 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)nn1-c1ccccc1Br ZINC001462873628 1068198535 /nfs/dbraw/zinc/19/85/35/1068198535.db2.gz CWGYWGHWFIVTTM-UHFFFAOYSA-N 0 0 453.340 4.568 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1C ZINC001462876271 1068199637 /nfs/dbraw/zinc/19/96/37/1068199637.db2.gz WAKOJEXOYJUZMG-INIZCTEOSA-N 0 0 457.514 4.953 20 0 JJADRN CCOCc1cccc(S(=O)(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)c1 ZINC001462876729 1068200173 /nfs/dbraw/zinc/20/01/73/1068200173.db2.gz XFJPLIYWGMCABK-UHFFFAOYSA-N 0 0 453.564 4.654 20 0 JJADRN C[S@](=O)(=NC(=O)C1(c2cccc(Br)c2)CC1)c1cccc(Br)c1 ZINC001462877445 1068200202 /nfs/dbraw/zinc/20/02/02/1068200202.db2.gz BYISJRRVMXFZLI-HSZRJFAPSA-N 0 0 457.187 4.927 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N=[S@@](C)(=O)c3ccccc3)ccc21 ZINC001462880006 1068201264 /nfs/dbraw/zinc/20/12/64/1068201264.db2.gz NCPFSWNAFNNJRK-YTTGMZPUSA-N 0 0 455.580 4.853 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1 ZINC001462881360 1068201620 /nfs/dbraw/zinc/20/16/20/1068201620.db2.gz UDSWAGJMYWGDTM-UHFFFAOYSA-N 0 0 451.894 4.727 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cc1 ZINC001462882005 1068201689 /nfs/dbraw/zinc/20/16/89/1068201689.db2.gz KRWGTVQUXUURLV-HHHXNRCGSA-N 0 0 451.386 4.618 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001462882235 1068202198 /nfs/dbraw/zinc/20/21/98/1068202198.db2.gz TVQUCNSKVPZZMY-MJGOQNOKSA-N 0 0 455.530 4.734 20 0 JJADRN Cc1ccc2cc(OC(=O)CNC(=O)Cn3ccc4ccc(Br)cc43)ccc2c1 ZINC001462885327 1068202602 /nfs/dbraw/zinc/20/26/02/1068202602.db2.gz BSUCZUNNVFJKOM-UHFFFAOYSA-N 0 0 451.320 4.587 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)c2ccccc2OCc2cccc(Br)c2)c1 ZINC001462887110 1068203383 /nfs/dbraw/zinc/20/33/83/1068203383.db2.gz QSPPTFSLSZVOBZ-UHFFFAOYSA-N 0 0 453.336 4.664 20 0 JJADRN CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC001462888397 1068203847 /nfs/dbraw/zinc/20/38/47/1068203847.db2.gz OXLLTIGUPQGPEG-LJQANCHMSA-N 0 0 456.530 4.658 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(CC)c2cc(C)ccc2C)c(F)cc1Br ZINC001462889347 1068204478 /nfs/dbraw/zinc/20/44/78/1068204478.db2.gz REXQCBUGBVECPF-UHFFFAOYSA-N 0 0 458.349 4.597 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c1 ZINC001462892478 1068205418 /nfs/dbraw/zinc/20/54/18/1068205418.db2.gz HNZYHPAQGMIOQD-HNNXBMFYSA-N 0 0 453.988 4.560 20 0 JJADRN O=C(N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1nn2c(c1Br)CCC2 ZINC001462892207 1068205485 /nfs/dbraw/zinc/20/54/85/1068205485.db2.gz ZMPJYODJJDCTIU-CYBMUJFWSA-N 0 0 457.077 4.932 20 0 JJADRN Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001462892298 1068205517 /nfs/dbraw/zinc/20/55/17/1068205517.db2.gz QJEJATREWXDTNG-LLVKDONJSA-N 0 0 453.185 4.810 20 0 JJADRN CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC001462896415 1068207020 /nfs/dbraw/zinc/20/70/20/1068207020.db2.gz OSOGWLWPXIYMTF-UHFFFAOYSA-N 0 0 459.612 4.747 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccc3nnc(C(F)F)n3c2)c(F)c(F)c1F ZINC001462896231 1068207064 /nfs/dbraw/zinc/20/70/64/1068207064.db2.gz RJZZLZRNTJDUDV-UHFFFAOYSA-N 0 0 457.359 4.684 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cscc2Br)c2ccc(F)cc2)cc1 ZINC001462897622 1068207641 /nfs/dbraw/zinc/20/76/41/1068207641.db2.gz CUPPQUWRYNEBQS-SFHVURJKSA-N 0 0 456.358 4.726 20 0 JJADRN CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001462896819 1068207690 /nfs/dbraw/zinc/20/76/90/1068207690.db2.gz DVIPXXVXHMWKHH-NRFANRHFSA-N 0 0 455.542 4.694 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ncccc2NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135015 1068208751 /nfs/dbraw/zinc/20/87/51/1068208751.db2.gz LWIVGFCMCWHQOP-OFNKIYASSA-N 0 0 458.965 4.567 20 0 JJADRN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC001462902429 1068209381 /nfs/dbraw/zinc/20/93/81/1068209381.db2.gz VWMIDNOJEWIQAO-UHFFFAOYSA-N 0 0 457.277 4.592 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001462901547 1068209397 /nfs/dbraw/zinc/20/93/97/1068209397.db2.gz PHCCSDJFWSRDBX-UHFFFAOYSA-N 0 0 459.287 4.754 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001462903936 1068209934 /nfs/dbraw/zinc/20/99/34/1068209934.db2.gz ZZGKATZOVUZJRK-UHFFFAOYSA-N 0 0 455.458 4.578 20 0 JJADRN CCN(CC)[C@@H](C(=O)OCc1c(F)cc(C(=O)OC)cc1F)c1cccc(C(F)(F)F)c1 ZINC001462906119 1068211193 /nfs/dbraw/zinc/21/11/93/1068211193.db2.gz JHNAXQKNCLJDAZ-LJQANCHMSA-N 0 0 459.411 4.897 20 0 JJADRN COC(=O)c1cc(F)c(COC(=O)c2ccc(Br)c(C(F)(F)F)c2)c(F)c1 ZINC001462910747 1068211625 /nfs/dbraw/zinc/21/16/25/1068211625.db2.gz WAUQDZDYYKXAGL-UHFFFAOYSA-N 0 0 453.157 4.890 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCCn2ncc(NC(=O)OC(C)(C)C)c21 ZINC001462913514 1068212743 /nfs/dbraw/zinc/21/27/43/1068212743.db2.gz OWAOLRXFNWBQBV-LBPRGKRZSA-N 0 0 455.342 4.741 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)sc1Br ZINC001462918252 1068213780 /nfs/dbraw/zinc/21/37/80/1068213780.db2.gz ZVNIAFNBUYVAJO-OAHLLOKOSA-N 0 0 454.415 4.622 20 0 JJADRN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC001462917387 1068213848 /nfs/dbraw/zinc/21/38/48/1068213848.db2.gz WMLZXLYPUMYYQX-UHFFFAOYSA-N 0 0 456.995 4.842 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(Sc2ccccc2)c1)c1ccc(N2CCOC2=O)cc1 ZINC001462919212 1068214170 /nfs/dbraw/zinc/21/41/70/1068214170.db2.gz CJUHXOXPFYDRMS-KRWDZBQOSA-N 0 0 454.573 4.834 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(N2CCOC2=O)cc1 ZINC001462919615 1068214308 /nfs/dbraw/zinc/21/43/08/1068214308.db2.gz GPRHWLMZZZBAMP-CQSZACIVSA-N 0 0 459.593 4.590 20 0 JJADRN O=C(Nc1ccc(Cl)c(NC(=O)C2CC2)c1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001462922285 1068214746 /nfs/dbraw/zinc/21/47/46/1068214746.db2.gz SNKMSTLGBIPDID-UHFFFAOYSA-N 0 0 450.713 4.828 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001462921840 1068215365 /nfs/dbraw/zinc/21/53/65/1068215365.db2.gz QZMQVAKCSZKYQC-TYILLQQXSA-N 0 0 455.498 4.848 20 0 JJADRN Cc1cccc(CN(CC(C)C)S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)c1 ZINC001462923909 1068216000 /nfs/dbraw/zinc/21/60/00/1068216000.db2.gz DYPGQVRQYMPJNZ-RPBOFIJWSA-N 0 0 472.651 4.878 20 0 JJADRN CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001462923779 1068216036 /nfs/dbraw/zinc/21/60/36/1068216036.db2.gz AJHWXKHUHJZONG-CQSZACIVSA-N 0 0 457.951 4.826 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCc3cccc4cccc2c43)c1 ZINC001462923377 1068216121 /nfs/dbraw/zinc/21/61/21/1068216121.db2.gz HXEOIZJZLRALLG-NRFANRHFSA-N 0 0 456.995 4.987 20 0 JJADRN CCC[C@@H](NS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1 ZINC001462927380 1068217097 /nfs/dbraw/zinc/21/70/97/1068217097.db2.gz NYVZBJISDDOANC-VQIMIIECSA-N 0 0 450.428 4.730 20 0 JJADRN C[C@@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(I)c1Cl ZINC001462928787 1068217730 /nfs/dbraw/zinc/21/77/30/1068217730.db2.gz HPKNMLUTSVLRJW-NSHDSACASA-N 0 0 453.723 4.799 20 0 JJADRN CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC001462929851 1068218148 /nfs/dbraw/zinc/21/81/48/1068218148.db2.gz YAUHUABHVHXQOY-CQSZACIVSA-N 0 0 459.486 4.663 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NCc2c(Cl)cccc2Cl)cc1Cl ZINC001462929570 1068218248 /nfs/dbraw/zinc/21/82/48/1068218248.db2.gz XAAWRCNIHGPPBJ-UHFFFAOYSA-N 0 0 459.178 4.804 20 0 JJADRN C[C@@H]1Cc2cccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(Br)cc3)c2O1 ZINC001462930641 1068218789 /nfs/dbraw/zinc/21/87/89/1068218789.db2.gz SGCNYQMNBZQIQP-VFNWGFHPSA-N 0 0 458.377 4.840 20 0 JJADRN COCc1ccc([C@@H]2COCCN2C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)o1 ZINC001462931257 1068219255 /nfs/dbraw/zinc/21/92/55/1068219255.db2.gz YBPQQSHJGOPQPI-FQEVSTJZSA-N 0 0 454.571 4.571 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462932013 1068219872 /nfs/dbraw/zinc/21/98/72/1068219872.db2.gz RJRCINHGFJTJSL-UYAOXDASSA-N 0 0 456.558 4.769 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001462934239 1068220885 /nfs/dbraw/zinc/22/08/85/1068220885.db2.gz XPWHNNPLYYAVDA-PDIWNELESA-N 0 0 467.585 4.725 20 0 JJADRN CCCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001462936505 1068221337 /nfs/dbraw/zinc/22/13/37/1068221337.db2.gz QVLSCMJRZCKVFY-HNNXBMFYSA-N 0 0 459.942 4.634 20 0 JJADRN CC1(C)CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c2ccccc21 ZINC001462936854 1068221402 /nfs/dbraw/zinc/22/14/02/1068221402.db2.gz PJUFOMJWSQZPTM-OXQOHEQNSA-N 0 0 450.000 4.846 20 0 JJADRN CC(C)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001462936959 1068221454 /nfs/dbraw/zinc/22/14/54/1068221454.db2.gz MJPKVMQTRKSDRB-HXUWFJFHSA-N 0 0 452.016 4.645 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001462936270 1068221496 /nfs/dbraw/zinc/22/14/96/1068221496.db2.gz QCQNDDAOTGEUJP-QGZVFWFLSA-N 0 0 458.805 4.648 20 0 JJADRN CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001462943649 1068223290 /nfs/dbraw/zinc/22/32/90/1068223290.db2.gz HKEHRSDJHYEDAC-QGZVFWFLSA-N 0 0 451.405 4.995 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1Br ZINC001462945982 1068224520 /nfs/dbraw/zinc/22/45/20/1068224520.db2.gz CABCRMPEDTXLND-WMZOPIPTSA-N 0 0 458.443 4.916 20 0 JJADRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001462947802 1068225041 /nfs/dbraw/zinc/22/50/41/1068225041.db2.gz UKFKBPZKAULVKE-NSHDSACASA-N 0 0 454.392 4.588 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N2CCC[C@H]2CC2CCCCC2)C1 ZINC001462948213 1068225632 /nfs/dbraw/zinc/22/56/32/1068225632.db2.gz LGCLJYAVGZYVQS-VXKWHMMOSA-N 0 0 453.048 4.709 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)NCc1c(C)cc(Br)cc1C ZINC001462951201 1068226187 /nfs/dbraw/zinc/22/61/87/1068226187.db2.gz CGFCFJJEHIKXIW-UHFFFAOYSA-N 0 0 453.221 4.677 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001462951412 1068226832 /nfs/dbraw/zinc/22/68/32/1068226832.db2.gz WAFXBNXJVXHWRX-SFHVURJKSA-N 0 0 455.338 4.798 20 0 JJADRN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC001462952628 1068227004 /nfs/dbraw/zinc/22/70/04/1068227004.db2.gz XVPZQGRFFYPIEA-UHFFFAOYSA-N 0 0 455.601 4.502 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)s1 ZINC001462951628 1068227020 /nfs/dbraw/zinc/22/70/20/1068227020.db2.gz ICATVHLWUIWNNA-UHFFFAOYSA-N 0 0 459.214 4.873 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)c(C)c1Cl ZINC001462952883 1068227564 /nfs/dbraw/zinc/22/75/64/1068227564.db2.gz GCVYBFRVJVQYBE-UHFFFAOYSA-N 0 0 455.966 4.810 20 0 JJADRN CCOc1ccc(CN(C(C)C)S(=O)(=O)c2cc(Br)ccc2OCC)cc1 ZINC001462956207 1068228743 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CCOC(=O)[C@H](NC(=O)c1cc2nc(C)ccc2o1)c1ccc(Br)c(Cl)c1 ZINC001462963608 1068230753 /nfs/dbraw/zinc/23/07/53/1068230753.db2.gz LVADCLYTNOWTOC-QGZVFWFLSA-N 0 0 451.704 4.586 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC001462963933 1068230850 /nfs/dbraw/zinc/23/08/50/1068230850.db2.gz VMKONAMCACODPL-IBGZPJMESA-N 0 0 459.461 4.841 20 0 JJADRN C[C@H]1CS(=O)(=O)CCCN1C(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1 ZINC001462963040 1068230896 /nfs/dbraw/zinc/23/08/96/1068230896.db2.gz CZOUWVVEKYJSLA-SFHVURJKSA-N 0 0 455.601 4.643 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)/C=C/c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462965108 1068231482 /nfs/dbraw/zinc/23/14/82/1068231482.db2.gz OYKLSTVXEVAJPE-VYENPZKTSA-N 0 0 456.258 4.686 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001462965128 1068231604 /nfs/dbraw/zinc/23/16/04/1068231604.db2.gz IFCOHIOBEZPOGR-UHFFFAOYSA-N 0 0 456.377 4.641 20 0 JJADRN CCOc1ccccc1OCC(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462971801 1068234068 /nfs/dbraw/zinc/23/40/68/1068234068.db2.gz DJRGPRVERVSOMK-LJQANCHMSA-N 0 0 454.567 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)c2cncc(Cl)c2)c2ccccc21 ZINC001462974219 1068234496 /nfs/dbraw/zinc/23/44/96/1068234496.db2.gz GKZUTZDGUSAVJH-MJGOQNOKSA-N 0 0 457.958 4.505 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)c2c(F)cccc2F)c2ccccc21 ZINC001462974103 1068234618 /nfs/dbraw/zinc/23/46/18/1068234618.db2.gz JGSDIJWWNFOBFO-DLBZAZTESA-N 0 0 458.505 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)/C=C\c2ccsc2)c2ccccc21 ZINC001462975896 1068234900 /nfs/dbraw/zinc/23/49/00/1068234900.db2.gz IUWHGCAYCFECLM-MITRTKIPSA-N 0 0 454.592 4.918 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)ccc1NC(=O)OC(C)(C)C ZINC001462974704 1068235006 /nfs/dbraw/zinc/23/50/06/1068235006.db2.gz GNKGYYJFFUQJJC-UHFFFAOYSA-N 0 0 453.539 4.976 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462977804 1068236341 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QENUKHVCXVCWND-UHFFFAOYSA-N 0 0 459.395 4.539 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1csc2ccccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462982933 1068238584 /nfs/dbraw/zinc/23/85/84/1068238584.db2.gz OVFLHNNHILKYIC-HXUWFJFHSA-N 0 0 457.621 4.587 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001462982974 1068238709 /nfs/dbraw/zinc/23/87/09/1068238709.db2.gz ZNZOTVQFCWVWAN-MOPGFXCFSA-N 0 0 454.542 4.904 20 0 JJADRN CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982288 1068238755 /nfs/dbraw/zinc/23/87/55/1068238755.db2.gz LLAMNDHYORNWGE-LJQANCHMSA-N 0 0 456.530 4.651 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1N ZINC001462983855 1068239345 /nfs/dbraw/zinc/23/93/45/1068239345.db2.gz PFPFGEPUTBIMEO-UHFFFAOYSA-N 0 0 454.999 4.537 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3c(Cl)c(Cl)ccc3C2)c(Br)c1 ZINC001462985969 1068239965 /nfs/dbraw/zinc/23/99/65/1068239965.db2.gz XNFODUBLBTZJGT-UHFFFAOYSA-N 0 0 451.169 4.512 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1S(=O)(=O)Cc1ccc(F)cc1F ZINC001462985849 1068239985 /nfs/dbraw/zinc/23/99/85/1068239985.db2.gz FMDHURSABWOMMZ-QHCPKHFHSA-N 0 0 456.514 4.563 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462985560 1068240017 /nfs/dbraw/zinc/24/00/17/1068240017.db2.gz QFZUMVDXTBTASA-MRVPVSSYSA-N 0 0 458.592 4.714 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCC(=O)Nc2cccc3ccccc32)cc1C(C)(C)C ZINC001462986163 1068240409 /nfs/dbraw/zinc/24/04/09/1068240409.db2.gz SSVKOARIBVIRTP-UHFFFAOYSA-N 0 0 454.592 4.843 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC(N(C)C(=O)OCC)CC2)cc1C(C)C ZINC001462990764 1068241574 /nfs/dbraw/zinc/24/15/74/1068241574.db2.gz KKPCDLFYVKZFCZ-UHFFFAOYSA-N 0 0 454.633 4.620 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001462988572 1068241673 /nfs/dbraw/zinc/24/16/73/1068241673.db2.gz FFZMSYKQCMGMHZ-WMZOPIPTSA-N 0 0 459.543 4.621 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](COCC(C)C)c2ccco2)c(Br)c1 ZINC001462990960 1068242091 /nfs/dbraw/zinc/24/20/91/1068242091.db2.gz LYSYRVDWGIFLJE-OAHLLOKOSA-N 0 0 450.782 4.696 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](COCC(C)C)c2ccco2)c(Br)c1 ZINC001462990955 1068242114 /nfs/dbraw/zinc/24/21/14/1068242114.db2.gz LYSYRVDWGIFLJE-HNNXBMFYSA-N 0 0 450.782 4.696 20 0 JJADRN O=S(=O)(/C=C/c1ccccc1Cl)NCc1cc(Br)ccc1OC(F)F ZINC001462995846 1068243269 /nfs/dbraw/zinc/24/32/69/1068243269.db2.gz SZNHIYNTYLMHEM-BQYQJAHWSA-N 0 0 452.704 4.794 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001546135771 1068245026 /nfs/dbraw/zinc/24/50/26/1068245026.db2.gz FVXHIEIAJFZQII-UHFFFAOYSA-N 0 0 498.672 4.630 20 0 JJADRN CCCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463001117 1068245058 /nfs/dbraw/zinc/24/50/58/1068245058.db2.gz YQHQHCFVQWPAAG-UHFFFAOYSA-N 0 0 457.983 4.978 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NCC3(c4ccc(Cl)cc4)CC3)cc21 ZINC001463003701 1068246328 /nfs/dbraw/zinc/24/63/28/1068246328.db2.gz BLKVAZCVZNDLOT-UHFFFAOYSA-N 0 0 453.789 4.604 20 0 JJADRN NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC001463004199 1068246379 /nfs/dbraw/zinc/24/63/79/1068246379.db2.gz JWJZGOYNIKBOSN-FQEVSTJZSA-N 0 0 455.407 4.562 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2)c1cccc(C(F)(F)F)c1 ZINC001463005637 1068247525 /nfs/dbraw/zinc/24/75/25/1068247525.db2.gz YXTZAZBPJFQYCD-HXUWFJFHSA-N 0 0 454.514 4.824 20 0 JJADRN COC(=O)[C@@]1(C(=O)NCc2c(Cl)cc(Br)cc2Cl)C[C@@H]1c1ccccc1 ZINC001463007753 1068248044 /nfs/dbraw/zinc/24/80/44/1068248044.db2.gz FGHRNSCGRMWRDH-KUHUBIRLSA-N 0 0 457.151 4.719 20 0 JJADRN CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC(C)C)c3ccccc31)O[C@@H](C)C2 ZINC001463008730 1068248622 /nfs/dbraw/zinc/24/86/22/1068248622.db2.gz YKOHYCIIPHIKLY-KRWDZBQOSA-N 0 0 455.576 4.828 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)c2cccc(C(N)=O)c2)[C@@H]1C ZINC001463009264 1068249293 /nfs/dbraw/zinc/24/92/93/1068249293.db2.gz LCZSMWBKZKOOST-VTJXTGGHSA-N 0 0 452.979 4.594 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463010538 1068249722 /nfs/dbraw/zinc/24/97/22/1068249722.db2.gz JTOUFXNDOCGSJU-HNNXBMFYSA-N 0 0 452.220 4.949 20 0 JJADRN Cc1sc(=O)n(CC(=O)N2CCc3cc(C)c(Br)cc3C2)c1-c1ccccc1 ZINC001463009805 1068249910 /nfs/dbraw/zinc/24/99/10/1068249910.db2.gz VNNGMUZPIGNCDW-UHFFFAOYSA-N 0 0 457.393 4.541 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC001463014501 1068251571 /nfs/dbraw/zinc/25/15/71/1068251571.db2.gz ZIJQGXZRWPEWLA-UHFFFAOYSA-N 0 0 451.364 4.859 20 0 JJADRN CCOc1ccc(S(=O)(=O)NC2(c3ccc(OC)cc3)CCCC2)cc1Br ZINC001463013557 1068251623 /nfs/dbraw/zinc/25/16/23/1068251623.db2.gz IBVJUGPHGZNXRC-UHFFFAOYSA-N 0 0 454.386 4.604 20 0 JJADRN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCN2c3ccccc3OCC2=O)c(C(C)C)c1 ZINC001463015951 1068252750 /nfs/dbraw/zinc/25/27/50/1068252750.db2.gz ODVYLRDOHDXXFS-UHFFFAOYSA-N 0 0 458.624 4.761 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCCc2c(C)ccc(OC)c21 ZINC001463019639 1068253664 /nfs/dbraw/zinc/25/36/64/1068253664.db2.gz BHHFRESOSBBLKJ-UHFFFAOYSA-N 0 0 454.386 4.696 20 0 JJADRN CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)Cc1cccc(Cl)c1Br ZINC001463025444 1068255744 /nfs/dbraw/zinc/25/57/44/1068255744.db2.gz VXNYOAGKQNLQKY-UHFFFAOYSA-N 0 0 458.683 4.967 20 0 JJADRN CCC(=O)N1CCc2ccc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC001463025616 1068255771 /nfs/dbraw/zinc/25/57/71/1068255771.db2.gz LSJHQTYPZYTXIG-UHFFFAOYSA-N 0 0 455.558 4.610 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCCCO4)cc2)cc1 ZINC001463025665 1068256391 /nfs/dbraw/zinc/25/63/91/1068256391.db2.gz YGDOJVKQVZERPC-UHFFFAOYSA-N 0 0 457.573 4.841 20 0 JJADRN C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)Sc1ccc(Br)cc1 ZINC001463029855 1068256873 /nfs/dbraw/zinc/25/68/73/1068256873.db2.gz CJTQSLUCBVFACA-LLVKDONJSA-N 0 0 452.798 4.842 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001463030838 1068257457 /nfs/dbraw/zinc/25/74/57/1068257457.db2.gz JCSHFRQKLJWMAQ-UHFFFAOYSA-N 0 0 453.413 4.969 20 0 JJADRN Cc1cc(F)c(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1F ZINC001463034412 1068258059 /nfs/dbraw/zinc/25/80/59/1068258059.db2.gz KZJAMGDCCCHDRD-UHFFFAOYSA-N 0 0 453.514 4.664 20 0 JJADRN CCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c2ccccc21 ZINC001463034841 1068258240 /nfs/dbraw/zinc/25/82/40/1068258240.db2.gz SGEWWOSWWUSLMR-UHFFFAOYSA-N 0 0 450.185 4.791 20 0 JJADRN O=S(=O)(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cc(F)cc(Cl)c1 ZINC001463033468 1068258285 /nfs/dbraw/zinc/25/82/85/1068258285.db2.gz GXUPEWMTHZNIRB-UHFFFAOYSA-N 0 0 455.942 4.869 20 0 JJADRN CCCS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2C)cc1 ZINC001463035129 1068259029 /nfs/dbraw/zinc/25/90/29/1068259029.db2.gz PQCZJYHEWHDULA-UHFFFAOYSA-N 0 0 457.617 4.570 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2S(=O)(=O)c2cc(C(C)C)ccc2Cl)cc1C ZINC001463037520 1068259380 /nfs/dbraw/zinc/25/93/80/1068259380.db2.gz DQEIHXJZVKXCHF-LJQANCHMSA-N 0 0 453.029 4.783 20 0 JJADRN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N(c2cc(C)ccc2C)C(C)C)c1 ZINC001463039207 1068260272 /nfs/dbraw/zinc/26/02/72/1068260272.db2.gz YGYRUVXCVLTSKV-UHFFFAOYSA-N 0 0 458.349 4.595 20 0 JJADRN CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(OC)cc1 ZINC001463040789 1068261043 /nfs/dbraw/zinc/26/10/43/1068261043.db2.gz LKXPOQVSAFZWMU-IBGZPJMESA-N 0 0 457.951 4.874 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccccc2N2CCC[C@H](C)C2)cc1Br ZINC001463045786 1068263147 /nfs/dbraw/zinc/26/31/47/1068263147.db2.gz ZRLBFMSLHSVABW-HNNXBMFYSA-N 0 0 454.386 4.852 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)c2ccccc12 ZINC001463048129 1068264293 /nfs/dbraw/zinc/26/42/93/1068264293.db2.gz QNJLPRDZCBWOTK-OAHLLOKOSA-N 0 0 453.516 4.729 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)cc1 ZINC001463048918 1068265141 /nfs/dbraw/zinc/26/51/41/1068265141.db2.gz JZSMMKIDEJPSBL-WJOKGBTCSA-N 0 0 451.935 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1 ZINC001463052057 1068266336 /nfs/dbraw/zinc/26/63/36/1068266336.db2.gz WNYRDYQBTBAWPL-JWRCQZCYSA-N 0 0 454.898 4.513 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)c1ccc(Cl)c(Cl)c1Cl ZINC001463053039 1068266856 /nfs/dbraw/zinc/26/68/56/1068266856.db2.gz BXUCGPBOMYATGV-SNVBAGLBSA-N 0 0 459.782 4.522 20 0 JJADRN C[C@@H](c1ccccc1)c1ccc(OS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)cc1 ZINC001463054004 1068267285 /nfs/dbraw/zinc/26/72/85/1068267285.db2.gz HQCKCRYKIUNDMW-IBGZPJMESA-N 0 0 451.544 4.568 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC001463054608 1068267986 /nfs/dbraw/zinc/26/79/86/1068267986.db2.gz HJHZFKDKKIBRSA-ULYRPOKDSA-N 0 0 454.368 4.934 20 0 JJADRN CCSc1ccc([C@H](C)NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058898 1068269894 /nfs/dbraw/zinc/26/98/94/1068269894.db2.gz JCZQOBWZKTYIFX-JGTBNHKDSA-N 0 0 452.545 4.741 20 0 JJADRN O=S(=O)(NCc1cccc2ccccc21)c1cc(Br)cc(Br)c1 ZINC001463060645 1068270447 /nfs/dbraw/zinc/27/04/47/1068270447.db2.gz UBQNVBCHFPBWOE-UHFFFAOYSA-N 0 0 455.171 4.843 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1Cl ZINC001463061937 1068271033 /nfs/dbraw/zinc/27/10/33/1068271033.db2.gz FGGKVVRNPCURJT-GAJHUEQPSA-N 0 0 451.995 4.679 20 0 JJADRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001463062396 1068271766 /nfs/dbraw/zinc/27/17/66/1068271766.db2.gz YOJLTDSEGFPTHK-INIZCTEOSA-N 0 0 458.260 4.914 20 0 JJADRN Cc1ccc(C2=NO[C@H](C(=O)N3CCCC[C@@H]3C3(CNC(=O)OC(C)(C)C)CCC3)C2)cc1 ZINC001463063505 1068272002 /nfs/dbraw/zinc/27/20/02/1068272002.db2.gz MGTDPUUFPJEBCM-FCHUYYIVSA-N 0 0 455.599 4.564 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC001463063057 1068272110 /nfs/dbraw/zinc/27/21/10/1068272110.db2.gz GOBZETMGGATLCS-NSHDSACASA-N 0 0 455.379 4.542 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546136233 1068272776 /nfs/dbraw/zinc/27/27/76/1068272776.db2.gz WDGDAXBYDDENHO-FQEVSTJZSA-N 0 0 499.656 4.512 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001463065043 1068273288 /nfs/dbraw/zinc/27/32/88/1068273288.db2.gz NSMZXTOEOIJXSL-KRWDZBQOSA-N 0 0 454.777 4.895 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001463065314 1068273411 /nfs/dbraw/zinc/27/34/11/1068273411.db2.gz KWRLHSTYXCRXSM-SPLOXXLWSA-N 0 0 455.368 4.806 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001463065312 1068273434 /nfs/dbraw/zinc/27/34/34/1068273434.db2.gz KWRLHSTYXCRXSM-LHSJRXKWSA-N 0 0 455.368 4.806 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001463066358 1068273991 /nfs/dbraw/zinc/27/39/91/1068273991.db2.gz GOPKNMXHEIYKTJ-QGZVFWFLSA-N 0 0 456.608 4.572 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CCOCC1 ZINC001546136246 1068274128 /nfs/dbraw/zinc/27/41/28/1068274128.db2.gz WKOJQVBHTLKEOP-OAQYLSRUSA-N 0 0 497.684 4.538 20 0 JJADRN O=C(NC1(c2ccccc2)COC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001463067649 1068274566 /nfs/dbraw/zinc/27/45/66/1068274566.db2.gz MQLWBPJJWMPVSW-UHFFFAOYSA-N 0 0 459.727 4.945 20 0 JJADRN CCn1c(SCC(=O)Nc2ccnc(N3CCCCC3)c2)nnc1-c1ccc(Cl)cc1 ZINC001463067726 1068274739 /nfs/dbraw/zinc/27/47/39/1068274739.db2.gz NNLLWQWHXYJKED-UHFFFAOYSA-N 0 0 457.003 4.735 20 0 JJADRN C=Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 ZINC001463069333 1068275263 /nfs/dbraw/zinc/27/52/63/1068275263.db2.gz SFJPAGUVXIDGGD-NLFFAJNJSA-N 0 0 454.636 4.504 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001463068950 1068275372 /nfs/dbraw/zinc/27/53/72/1068275372.db2.gz QRHKLIZGIIBVEM-NRFANRHFSA-N 0 0 452.551 4.797 20 0 JJADRN C=Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 ZINC001463069329 1068275478 /nfs/dbraw/zinc/27/54/78/1068275478.db2.gz SFJPAGUVXIDGGD-NBGIEHNGSA-N 0 0 454.636 4.504 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001463070179 1068276081 /nfs/dbraw/zinc/27/60/81/1068276081.db2.gz WHBRXLZMYZDGJY-VGSWGCGISA-N 0 0 451.405 4.596 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001463070392 1068276601 /nfs/dbraw/zinc/27/66/01/1068276601.db2.gz WWIJZHXPSLLIAD-QKKBWIMNSA-N 0 0 455.368 4.806 20 0 JJADRN COc1cccc(CNS(=O)(=O)c2cc(C)ccc2Br)c1OC1CCCC1 ZINC001463074162 1068278017 /nfs/dbraw/zinc/27/80/17/1068278017.db2.gz YNUGJHAILDQBMS-UHFFFAOYSA-N 0 0 454.386 4.566 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2)no1 ZINC001463074199 1068278524 /nfs/dbraw/zinc/27/85/24/1068278524.db2.gz QQRXHEIUTXJPRD-SFHVURJKSA-N 0 0 456.587 4.701 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CC1)N(Cc1ccccc1)CC1CCOCC1 ZINC001463076028 1068278594 /nfs/dbraw/zinc/27/85/94/1068278594.db2.gz IHMBTXFDMWZKCM-UHFFFAOYSA-N 0 0 450.000 4.746 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C(C)(C)C1 ZINC001463077312 1068279513 /nfs/dbraw/zinc/27/95/13/1068279513.db2.gz LSBPTKNWSKFCPJ-QGZVFWFLSA-N 0 0 453.370 4.554 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC001463081367 1068281249 /nfs/dbraw/zinc/28/12/49/1068281249.db2.gz UXJGMZAKLVWGMT-OAQYLSRUSA-N 0 0 451.569 4.950 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc1 ZINC001463081984 1068281281 /nfs/dbraw/zinc/28/12/81/1068281281.db2.gz YCKBZWDCVVKABB-KRWDZBQOSA-N 0 0 458.407 4.963 20 0 JJADRN CC(C)(CNC(=O)c1cc(I)c(Cl)cc1Cl)C1CCOCC1 ZINC001463084499 1068282037 /nfs/dbraw/zinc/28/20/37/1068282037.db2.gz GUNFQRYBALNNDL-UHFFFAOYSA-N 0 0 456.151 4.781 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCc2ccc(-c3cccc(OC)c3)cc2)c1 ZINC001463089028 1068283053 /nfs/dbraw/zinc/28/30/53/1068283053.db2.gz DSHXRKOPXMSHSC-UHFFFAOYSA-N 0 0 459.951 4.589 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)NC[C@H](Cc3ccc(Cl)cc3Cl)C(C)C)cc12 ZINC001463091447 1068283560 /nfs/dbraw/zinc/28/35/60/1068283560.db2.gz ZUSWEVYIPXKWST-AWEZNQCLSA-N 0 0 456.395 4.885 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)NC[C@@H](Cc3ccc(Cl)cc3Cl)C(C)C)cc12 ZINC001463091454 1068283621 /nfs/dbraw/zinc/28/36/21/1068283621.db2.gz ZUSWEVYIPXKWST-CQSZACIVSA-N 0 0 456.395 4.885 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001463097082 1068285573 /nfs/dbraw/zinc/28/55/73/1068285573.db2.gz MFTDFBVBFLTWND-UHFFFAOYSA-N 0 0 459.033 4.979 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2cccc(Br)c2Cl)C1)c1ccc(Cl)cc1 ZINC001463097942 1068286176 /nfs/dbraw/zinc/28/61/76/1068286176.db2.gz GFUYNNBIRFXACA-AWEZNQCLSA-N 0 0 456.167 4.791 20 0 JJADRN CCN(CC1CC1)S(=O)(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 ZINC001463099761 1068286609 /nfs/dbraw/zinc/28/66/09/1068286609.db2.gz MBEXHAVLLNHKDU-UHFFFAOYSA-N 0 0 451.032 4.944 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC001463099584 1068286870 /nfs/dbraw/zinc/28/68/70/1068286870.db2.gz NZRPJFKYROFAKE-YNKYUBPOSA-N 0 0 454.979 4.504 20 0 JJADRN CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463102413 1068288111 /nfs/dbraw/zinc/28/81/11/1068288111.db2.gz ZESHVLWHFUMAJW-XHDPSFHLSA-N 0 0 458.340 4.588 20 0 JJADRN O=S(=O)(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc2cnccc21 ZINC001463104038 1068288882 /nfs/dbraw/zinc/28/88/82/1068288882.db2.gz YFSAOCCGGXABBI-UHFFFAOYSA-N 0 0 459.449 4.919 20 0 JJADRN Cc1ccc([S@@](C)(=O)=NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 ZINC001463102906 1068288941 /nfs/dbraw/zinc/28/89/41/1068288941.db2.gz SHOWQIHPWLUZDC-GDLZYMKVSA-N 0 0 459.305 4.814 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)c3nc4ccccc4s3)cc2)cc1 ZINC001463104889 1068289621 /nfs/dbraw/zinc/28/96/21/1068289621.db2.gz HWYDWKSHOXOBGT-OAHLLOKOSA-N 0 0 451.573 4.961 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](NC(=O)c4ccc(Cl)cc4)C3)o2)cc1 ZINC001463109381 1068290099 /nfs/dbraw/zinc/29/00/99/1068290099.db2.gz YRLLMYOIWJDUPW-OAQYLSRUSA-N 0 0 450.922 4.837 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)NCCc2cc(Br)ccc2SC)c(C)n1 ZINC001463109989 1068290486 /nfs/dbraw/zinc/29/04/86/1068290486.db2.gz UZVUXIRLLMFFGO-CYBMUJFWSA-N 0 0 450.446 4.993 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001463109575 1068290577 /nfs/dbraw/zinc/29/05/77/1068290577.db2.gz POLHNQWSMVJNOL-URAOTHONSA-N 0 0 459.008 4.520 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001463109571 1068290614 /nfs/dbraw/zinc/29/06/14/1068290614.db2.gz POLHNQWSMVJNOL-JRPXNJEYSA-N 0 0 459.008 4.520 20 0 JJADRN COC(=O)Cn1ncc2ccc(NC(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)cc21 ZINC001463117420 1068293397 /nfs/dbraw/zinc/29/33/97/1068293397.db2.gz RJSNJKZEDJINDM-UHFFFAOYSA-N 0 0 451.832 4.552 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1)N1Cc2ccccc2C1=O ZINC001463121474 1068294481 /nfs/dbraw/zinc/29/44/81/1068294481.db2.gz JWLFSVCPXYOKGC-UNMCSNQZSA-N 0 0 455.396 4.663 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC001463121643 1068295033 /nfs/dbraw/zinc/29/50/33/1068295033.db2.gz NEVKPOZFUFEOIM-VOVXGKMXSA-N 0 0 452.620 4.958 20 0 JJADRN CCCN([C@@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463122155 1068295082 /nfs/dbraw/zinc/29/50/82/1068295082.db2.gz HWWQGJDYSFXADN-HUUCEWRRSA-N 0 0 456.805 4.846 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463124488 1068295730 /nfs/dbraw/zinc/29/57/30/1068295730.db2.gz BHWLKYQBDZTJMO-CQSZACIVSA-N 0 0 456.306 4.843 20 0 JJADRN O=C(c1cnnn1-c1ccccc1Cl)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001463127999 1068296667 /nfs/dbraw/zinc/29/66/67/1068296667.db2.gz QUGRMBFHCXONMT-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001463129017 1068296840 /nfs/dbraw/zinc/29/68/40/1068296840.db2.gz BDTXUZNSFVHLJR-MRXNPFEDSA-N 0 0 456.589 4.774 20 0 JJADRN COC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1C ZINC001463129749 1068297428 /nfs/dbraw/zinc/29/74/28/1068297428.db2.gz BVCRJUGVRNONIJ-QGZVFWFLSA-N 0 0 458.605 4.904 20 0 JJADRN Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001463132660 1068298030 /nfs/dbraw/zinc/29/80/30/1068298030.db2.gz YFOPUPZHRZSQMF-LBPRGKRZSA-N 0 0 452.292 4.738 20 0 JJADRN Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001463132653 1068298040 /nfs/dbraw/zinc/29/80/40/1068298040.db2.gz YFOPUPZHRZSQMF-GFCCVEGCSA-N 0 0 452.292 4.738 20 0 JJADRN O=C(OCc1cccc(SC(F)(F)F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001463135817 1068298894 /nfs/dbraw/zinc/29/88/94/1068298894.db2.gz PNVFBBODZRPPFS-GOSISDBHSA-N 0 0 459.511 4.585 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001463135786 1068298984 /nfs/dbraw/zinc/29/89/84/1068298984.db2.gz VWQQFZMJODDHKL-WOJBJXKFSA-N 0 0 450.626 4.565 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)o1 ZINC001463138598 1068299645 /nfs/dbraw/zinc/29/96/45/1068299645.db2.gz RALHLXAVEQCMIZ-LAUBAEHRSA-N 0 0 451.560 4.702 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)o1 ZINC001463138739 1068300216 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CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)c(OC2CCCC2)c1 ZINC001463144618 1068301790 /nfs/dbraw/zinc/30/17/90/1068301790.db2.gz UJXIHLYHRZZLJW-UHFFFAOYSA-N 0 0 452.551 4.721 20 0 JJADRN Cc1cccc(S(=O)(=O)NCC2(c3ccccc3Br)CC2)c1Br ZINC001463149603 1068303726 /nfs/dbraw/zinc/30/37/26/1068303726.db2.gz DIHYFYCDQAPEDL-UHFFFAOYSA-N 0 0 459.203 4.530 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCc2cc(Br)c(F)cc2C1 ZINC001463151721 1068304555 /nfs/dbraw/zinc/30/45/55/1068304555.db2.gz YJRCYIVWWFSFAM-UHFFFAOYSA-N 0 0 452.230 4.774 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC001463157837 1068306143 /nfs/dbraw/zinc/30/61/43/1068306143.db2.gz YVOLDHCSZUEZMV-FQEVSTJZSA-N 0 0 454.636 4.792 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3c(F)ccc(Br)c3F)o2)cc1 ZINC001463155976 1068306213 /nfs/dbraw/zinc/30/62/13/1068306213.db2.gz HMSUHRWQLQAIGE-UHFFFAOYSA-N 0 0 456.268 4.517 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001463158030 1068306481 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CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(Cl)cc2C)C12CCCCC2 ZINC001463207575 1068320259 /nfs/dbraw/zinc/32/02/59/1068320259.db2.gz MXMVGMCPXKMCGJ-IAGOWNOFSA-N 0 0 450.826 4.817 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001463211245 1068321152 /nfs/dbraw/zinc/32/11/52/1068321152.db2.gz AJAWBQRJXGNOTC-RRMPHLOHSA-N 0 0 457.514 4.795 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H]([C@H]3CCOC3)C(F)(F)F)c3cnn(C(C)C)c3n2)s1 ZINC001463209920 1068321411 /nfs/dbraw/zinc/32/14/11/1068321411.db2.gz MMQOEIZTHXTDRG-SCLBCKFNSA-N 0 0 452.502 4.746 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001463211258 1068321443 /nfs/dbraw/zinc/32/14/43/1068321443.db2.gz AJAWBQRJXGNOTC-XERREHJYSA-N 0 0 457.514 4.795 20 0 JJADRN Cc1ccc2ncccc2c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001463212494 1068321765 /nfs/dbraw/zinc/32/17/65/1068321765.db2.gz NJBZUAASHKJEMF-UHFFFAOYSA-N 0 0 459.615 4.866 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@@H](Cc2ccccc2)OC)cc1 ZINC001463212208 1068321892 /nfs/dbraw/zinc/32/18/92/1068321892.db2.gz DFRTWLSQCNUWQQ-GBXCKJPGSA-N 0 0 453.604 4.943 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)n1 ZINC001463212767 1068322051 /nfs/dbraw/zinc/32/20/51/1068322051.db2.gz QYIUZXFTPYWDQL-IUCAKERBSA-N 0 0 450.230 4.619 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NS(=O)(=O)c3csc4ccc(Cl)cc43)ccc2NC1=O ZINC001463213431 1068322309 /nfs/dbraw/zinc/32/23/09/1068322309.db2.gz MMXSRIXSTBFJHQ-ZBEGNZNMSA-N 0 0 450.969 4.704 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)[C@@H](O)c1ccccc1F ZINC001463215409 1068322937 /nfs/dbraw/zinc/32/29/37/1068322937.db2.gz WITMVKJRBNDGQD-RPWUZVMVSA-N 0 0 457.567 4.812 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc1I ZINC001463217787 1068323310 /nfs/dbraw/zinc/32/33/10/1068323310.db2.gz WDZWPASRIJPBRR-KZULUSFZSA-N 0 0 459.324 4.511 20 0 JJADRN C[C@]12CN(C(=O)c3ccc(Oc4cccc(Cl)c4Cl)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 ZINC001463221560 1068324520 /nfs/dbraw/zinc/32/45/20/1068324520.db2.gz JKORSWNSKXWTKF-RNODOKPDSA-N 0 0 474.793 4.946 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c(Cl)c1 ZINC001463220470 1068324594 /nfs/dbraw/zinc/32/45/94/1068324594.db2.gz MVTQNXRBCYFPJN-HNNXBMFYSA-N 0 0 459.951 4.842 20 0 JJADRN CCCN([C@H]1C[C@@H](OCC)C12CCCCC2)S(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC001463222486 1068325281 /nfs/dbraw/zinc/32/52/81/1068325281.db2.gz RZUFLTCROXWMCX-FCHUYYIVSA-N 0 0 451.629 4.700 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1-c1ccccc1 ZINC001463222699 1068325315 /nfs/dbraw/zinc/32/53/15/1068325315.db2.gz JGENYHUZYMNDPI-UHFFFAOYSA-N 0 0 453.560 4.796 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001463224035 1068325882 /nfs/dbraw/zinc/32/58/82/1068325882.db2.gz QKXBUTOSWUKZIC-DEOSSOPVSA-N 0 0 452.551 4.651 20 0 JJADRN CO[C@H](CNS(=O)(=O)c1c(Cl)cc(C)cc1Br)c1cccc(Cl)c1 ZINC001463224606 1068326480 /nfs/dbraw/zinc/32/64/80/1068326480.db2.gz XABZDTFMKPTRCY-OAHLLOKOSA-N 0 0 453.185 4.730 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1 ZINC001463225332 1068326682 /nfs/dbraw/zinc/32/66/82/1068326682.db2.gz UYVQCUQMOGMSBO-UHFFFAOYSA-N 0 0 456.358 4.897 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001463225487 1068326994 /nfs/dbraw/zinc/32/69/94/1068326994.db2.gz WDMVHVOFCQWOTH-VGSWGCGISA-N 0 0 454.357 4.842 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCc3ccc(-c4cnco4)cc3)cc2)c(C)c1Br ZINC001463226055 1068327425 /nfs/dbraw/zinc/32/74/25/1068327425.db2.gz CGBVQEQENHHQAD-UHFFFAOYSA-N 0 0 451.324 4.837 20 0 JJADRN O=C(CN1CCCCC(=O)C1=O)Nc1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC001463227314 1068327648 /nfs/dbraw/zinc/32/76/48/1068327648.db2.gz AYVKPIIWMCABHH-UHFFFAOYSA-N 0 0 453.951 4.651 20 0 JJADRN Cc1ccnc2c1cccc2S(=O)(=O)N1CCOc2cc(Br)c(Cl)cc21 ZINC001463228388 1068327703 /nfs/dbraw/zinc/32/77/03/1068327703.db2.gz AZHJFGUDELFGJC-UHFFFAOYSA-N 0 0 453.745 4.547 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)ccc1C ZINC001463228798 1068328463 /nfs/dbraw/zinc/32/84/63/1068328463.db2.gz SGTCLAVVXVKYID-QFIPXVFZSA-N 0 0 455.580 4.628 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)C1 ZINC001463230305 1068328805 /nfs/dbraw/zinc/32/88/05/1068328805.db2.gz QAMUOSPYRCJNJD-SFHVURJKSA-N 0 0 458.990 4.611 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)cc1C ZINC001463231501 1068329615 /nfs/dbraw/zinc/32/96/15/1068329615.db2.gz SEJLYIXVYZGSFK-UHFFFAOYSA-N 0 0 454.910 4.626 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)c1cnn2cccc(Br)c12 ZINC001463232403 1068329631 /nfs/dbraw/zinc/32/96/31/1068329631.db2.gz VNJNZYJUNQLUNO-UHFFFAOYSA-N 0 0 457.715 4.868 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)cc2ccccc21 ZINC001463232969 1068330064 /nfs/dbraw/zinc/33/00/64/1068330064.db2.gz IYPXECUXZQHAQE-AMHTUMDSSA-N 0 0 450.510 4.775 20 0 JJADRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC ZINC001463242578 1068332362 /nfs/dbraw/zinc/33/23/62/1068332362.db2.gz YMEQXKUIUJBVIY-NXCFDTQHSA-N 0 0 450.604 4.834 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC001463245280 1068332792 /nfs/dbraw/zinc/33/27/92/1068332792.db2.gz CNEHHYXPUFTCSR-QHCPKHFHSA-N 0 0 453.564 4.623 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccccc1Br)Oc1ccccc1C(F)(F)F ZINC001463243681 1068332902 /nfs/dbraw/zinc/33/29/02/1068332902.db2.gz ZLRSAPIIZSGOFE-LBPRGKRZSA-N 0 0 452.292 4.604 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1C)Oc1ccccc1Cl ZINC001463247006 1068333688 /nfs/dbraw/zinc/33/36/88/1068333688.db2.gz IOYIGAFWNJTXGU-LBPRGKRZSA-N 0 0 450.757 4.686 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC001463248408 1068334557 /nfs/dbraw/zinc/33/45/57/1068334557.db2.gz KMYHRZIPRUCUEH-QHCPKHFHSA-N 0 0 455.530 4.960 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC001463250956 1068334901 /nfs/dbraw/zinc/33/49/01/1068334901.db2.gz QALGGZQZRSULPU-XMMPIXPASA-N 0 0 453.514 4.951 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)cc1F ZINC001463250942 1068334991 /nfs/dbraw/zinc/33/49/91/1068334991.db2.gz SWQPQBQJFPGNOI-OAQYLSRUSA-N 0 0 451.560 4.713 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001463253099 1068335492 /nfs/dbraw/zinc/33/54/92/1068335492.db2.gz VVQLQWRHUFDXKH-LJQANCHMSA-N 0 0 453.898 4.679 20 0 JJADRN O=C(NC1(C(F)(F)F)CCC(F)(F)CC1)c1ccn(-c2cccc(Br)c2)n1 ZINC001463258695 1068336768 /nfs/dbraw/zinc/33/67/68/1068336768.db2.gz OBNAMAVSMLXKOH-UHFFFAOYSA-N 0 0 452.221 4.875 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)Oc2cc(C)ccc2I)c1 ZINC001463263531 1068338323 /nfs/dbraw/zinc/33/83/23/1068338323.db2.gz MAGWQSWFIWHOCD-UHFFFAOYSA-N 0 0 450.725 4.973 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC001463263763 1068339012 /nfs/dbraw/zinc/33/90/12/1068339012.db2.gz WCBYYVKEHMZTHC-HXUWFJFHSA-N 0 0 453.988 4.981 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H](CC)C2)c(F)cc1Cl ZINC001463264677 1068339280 /nfs/dbraw/zinc/33/92/80/1068339280.db2.gz YPSFOPDVDANXGV-WBVHZDCISA-N 0 0 453.963 4.860 20 0 JJADRN CCc1cccc2c(CCNS(=O)(=O)Cc3ccc(Br)cc3Cl)c[nH]c21 ZINC001463266166 1068339331 /nfs/dbraw/zinc/33/93/31/1068339331.db2.gz DXQVSADDRDOTCC-UHFFFAOYSA-N 0 0 455.805 4.808 20 0 JJADRN COC1(CNC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCCCCC1 ZINC001463270628 1068339971 /nfs/dbraw/zinc/33/99/71/1068339971.db2.gz GRONXWKBTWPYON-UHFFFAOYSA-N 0 0 454.596 4.534 20 0 JJADRN C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001463267722 1068340105 /nfs/dbraw/zinc/34/01/05/1068340105.db2.gz PQRUTNOZIPMXRI-NSHDSACASA-N 0 0 459.818 4.763 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccc(OCc3ccc(Cl)cc3)c1)CCS2 ZINC001463274628 1068341085 /nfs/dbraw/zinc/34/10/85/1068341085.db2.gz FEYSXWOBBJNKCH-WLBKGHODSA-N 0 0 459.995 4.866 20 0 JJADRN COc1ccccc1C[C@@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C(C)C ZINC001463274115 1068341104 /nfs/dbraw/zinc/34/11/04/1068341104.db2.gz GLIMVYWAPATFMV-OAQYLSRUSA-N 0 0 451.535 4.770 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2OC)cc1Br ZINC001463275430 1068341244 /nfs/dbraw/zinc/34/12/44/1068341244.db2.gz GXLCFKCYGJDFTC-SFHVURJKSA-N 0 0 456.402 4.922 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2OC)cc1Br ZINC001463275428 1068341370 /nfs/dbraw/zinc/34/13/70/1068341370.db2.gz GXLCFKCYGJDFTC-GOSISDBHSA-N 0 0 456.402 4.922 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N[C@H](CC(=O)OC)c1ccc(C(F)(F)F)cc1 ZINC001463276865 1068341588 /nfs/dbraw/zinc/34/15/88/1068341588.db2.gz AWFNEFUJKVQLLS-LJQANCHMSA-N 0 0 453.457 4.927 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1cc(Br)c(Br)s1 ZINC001463276791 1068341642 /nfs/dbraw/zinc/34/16/42/1068341642.db2.gz JAAOSDHQFAUKHP-YPMHNXCESA-N 0 0 481.250 4.832 20 0 JJADRN CCCCCCN(Cc1ccco1)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC001463279178 1068342626 /nfs/dbraw/zinc/34/26/26/1068342626.db2.gz NDZGIOZDADCOFD-UHFFFAOYSA-N 0 0 459.591 4.666 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC001463281079 1068342932 /nfs/dbraw/zinc/34/29/32/1068342932.db2.gz QPRBTXFMVYYFKG-QGZVFWFLSA-N 0 0 459.486 4.566 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1 ZINC001463281106 1068343292 /nfs/dbraw/zinc/34/32/92/1068343292.db2.gz KXIORRHBWMZBNN-OAHLLOKOSA-N 0 0 454.495 4.854 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Br ZINC001463282568 1068343786 /nfs/dbraw/zinc/34/37/86/1068343786.db2.gz BVKCMTSBKXSKFA-MRXNPFEDSA-N 0 0 450.276 4.874 20 0 JJADRN C[C@H]1CSCCCN1C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463283219 1068344061 /nfs/dbraw/zinc/34/40/61/1068344061.db2.gz HKUKPIDOIJIQOP-HNNXBMFYSA-N 0 0 452.498 4.691 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCc4ccccc4[C@H]3C(C)C)cc2c1C ZINC001463285550 1068344130 /nfs/dbraw/zinc/34/41/30/1068344130.db2.gz HVPLTECHALQMSI-HXUWFJFHSA-N 0 0 458.605 4.726 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1cccc2ccccc21 ZINC001463284039 1068344201 /nfs/dbraw/zinc/34/42/01/1068344201.db2.gz QRSXRTIEDFLIBC-SLFFLAALSA-N 0 0 450.604 4.997 20 0 JJADRN Cc1nc(CNS(=O)(=O)c2ccc(C)cc2Br)oc1-c1ccc(Cl)cc1 ZINC001463283779 1068344216 /nfs/dbraw/zinc/34/42/16/1068344216.db2.gz ZQPWLHZSLJUUIC-UHFFFAOYSA-N 0 0 455.761 4.853 20 0 JJADRN CCC(C)(C)c1ccc(OS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(Cl)c1 ZINC001463284968 1068344278 /nfs/dbraw/zinc/34/42/78/1068344278.db2.gz LTKIFQSUBBHETQ-UHFFFAOYSA-N 0 0 457.422 4.914 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC001463289583 1068345899 /nfs/dbraw/zinc/34/58/99/1068345899.db2.gz XVPLCPHWQSURGQ-WFASDCNBSA-N 0 0 455.026 4.647 20 0 JJADRN COc1cccc(C=C2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)CC2)c1 ZINC001463289135 1068346010 /nfs/dbraw/zinc/34/60/10/1068346010.db2.gz UEBIXJPNQCZBKY-UHFFFAOYSA-N 0 0 456.789 4.979 20 0 JJADRN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001463290969 1068346256 /nfs/dbraw/zinc/34/62/56/1068346256.db2.gz UCQVVRAXHLFEGH-UHFFFAOYSA-N 0 0 451.426 4.564 20 0 JJADRN COCCCOc1cc(C)ccc1CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001463293193 1068346820 /nfs/dbraw/zinc/34/68/20/1068346820.db2.gz ANSOMYGESLANDA-UHFFFAOYSA-N 0 0 451.894 4.561 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc(Br)nc2F)c(Oc2ccccc2)c1 ZINC001463293189 1068346986 /nfs/dbraw/zinc/34/69/86/1068346986.db2.gz MPQADHRVSYOUCJ-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1C(F)(F)F ZINC001463293253 1068347188 /nfs/dbraw/zinc/34/71/88/1068347188.db2.gz MUCLEXDWWHLWCO-IERDGZPVSA-N 0 0 453.482 4.582 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(F)(F)F ZINC001463293850 1068347505 /nfs/dbraw/zinc/34/75/05/1068347505.db2.gz OQWNLDUDBUKMMH-UHFFFAOYSA-N 0 0 458.502 4.882 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c(Oc2ccccc2)c1 ZINC001463294511 1068347546 /nfs/dbraw/zinc/34/75/46/1068347546.db2.gz QVZHLQBLGGGJBM-UHFFFAOYSA-N 0 0 450.560 4.886 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC001463296124 1068348480 /nfs/dbraw/zinc/34/84/80/1068348480.db2.gz NMVARXSTMJQOSW-JOCHJYFZSA-N 0 0 453.560 4.563 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001463298238 1068348614 /nfs/dbraw/zinc/34/86/14/1068348614.db2.gz UVASURJLSNODAD-LJQANCHMSA-N 0 0 450.482 4.816 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC001463299394 1068349143 /nfs/dbraw/zinc/34/91/43/1068349143.db2.gz IZMQYOGKFZLJIM-UHFFFAOYSA-N 0 0 458.683 4.955 20 0 JJADRN CC(C)C1CCC(CNS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001463301277 1068349551 /nfs/dbraw/zinc/34/95/51/1068349551.db2.gz VFBQBDGTKGSFLV-IQWMQGJTSA-N 0 0 450.645 4.560 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccccc1SC(F)(F)F ZINC001463303201 1068349888 /nfs/dbraw/zinc/34/98/88/1068349888.db2.gz CBSTXBRKERPLGF-DNVCBOLYSA-N 0 0 450.526 4.914 20 0 JJADRN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463304894 1068350267 /nfs/dbraw/zinc/35/02/67/1068350267.db2.gz BIHDYYIUMXHCTA-ZDUSSCGKSA-N 0 0 456.269 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1ccccc1SC(F)(F)F ZINC001463304300 1068350279 /nfs/dbraw/zinc/35/02/79/1068350279.db2.gz JFGSOFMFXXUJAT-CQSZACIVSA-N 0 0 450.548 4.657 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001463305133 1068350434 /nfs/dbraw/zinc/35/04/34/1068350434.db2.gz DFTSJWCQRVEKDV-LBPRGKRZSA-N 0 0 458.930 4.721 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cc2)cc1 ZINC001463307597 1068350950 /nfs/dbraw/zinc/35/09/50/1068350950.db2.gz KAZURPRMKFAWIV-IERDGZPVSA-N 0 0 451.635 4.534 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001463305458 1068350988 /nfs/dbraw/zinc/35/09/88/1068350988.db2.gz CZUQBPJMCOLFMY-LJQANCHMSA-N 0 0 458.407 4.744 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCN(c4cccc(Cl)c4C)CC3)c(=O)oc2c1 ZINC001463311382 1068351972 /nfs/dbraw/zinc/35/19/72/1068351972.db2.gz VCSRMHXKBHKBLV-UHFFFAOYSA-N 0 0 453.970 4.563 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001463313596 1068352454 /nfs/dbraw/zinc/35/24/54/1068352454.db2.gz JWMVROABNCDMAF-PVHODMMVSA-N 0 0 465.615 4.563 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)sc1Br ZINC001463316684 1068353895 /nfs/dbraw/zinc/35/38/95/1068353895.db2.gz FMIYGXWQRHQHKZ-MRXNPFEDSA-N 0 0 457.802 4.935 20 0 JJADRN COC(=O)CC1(CS(=O)(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)CC1 ZINC001463319678 1068354232 /nfs/dbraw/zinc/35/42/32/1068354232.db2.gz JUTZMTYYMXOZLZ-IBGZPJMESA-N 0 0 459.608 4.807 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC001463317631 1068354420 /nfs/dbraw/zinc/35/44/20/1068354420.db2.gz FLXHEEKGASNNAD-UHFFFAOYSA-N 0 0 453.926 4.989 20 0 JJADRN CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Br)cc2OC(F)F)cc1 ZINC001463323049 1068355424 /nfs/dbraw/zinc/35/54/24/1068355424.db2.gz KMUORCHQDUTHOS-UHFFFAOYSA-N 0 0 456.283 4.980 20 0 JJADRN CSc1cc(C)ccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC001463323297 1068356011 /nfs/dbraw/zinc/35/60/11/1068356011.db2.gz QIUMTAZLJIGAMM-UHFFFAOYSA-N 0 0 454.333 4.977 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NC(CCc1ccccc1)CCc1ccccc1 ZINC001463321790 1068356062 /nfs/dbraw/zinc/35/60/62/1068356062.db2.gz OEMLHKRBVWLVFL-YADHBBJMSA-N 0 0 455.542 4.650 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1 ZINC001463323726 1068356586 /nfs/dbraw/zinc/35/65/86/1068356586.db2.gz VXFLTEUVNBXBFN-KRWDZBQOSA-N 0 0 453.004 4.575 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001463323915 1068356594 /nfs/dbraw/zinc/35/65/94/1068356594.db2.gz GHGQKHUUTNWXLZ-SJORKVTESA-N 0 0 458.580 4.900 20 0 JJADRN O=S(=O)(c1ccc2ccnc(Cl)c2c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001463325307 1068356613 /nfs/dbraw/zinc/35/66/13/1068356613.db2.gz UMLRVHZEHGCYBY-NRFANRHFSA-N 0 0 458.992 4.874 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21)c1ccccc1 ZINC001463323278 1068356712 /nfs/dbraw/zinc/35/67/12/1068356712.db2.gz MDZGYJLKBXLJQU-HNNXBMFYSA-N 0 0 459.917 4.857 20 0 JJADRN CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC001463325542 1068357103 /nfs/dbraw/zinc/35/71/03/1068357103.db2.gz VHSUNTJTFYOBPH-INIZCTEOSA-N 0 0 451.386 4.718 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1cccc(OCc2cscn2)c1 ZINC001463327298 1068357607 /nfs/dbraw/zinc/35/76/07/1068357607.db2.gz WUQSWYCQDNONBR-UHFFFAOYSA-N 0 0 451.935 4.838 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001463328386 1068358099 /nfs/dbraw/zinc/35/80/99/1068358099.db2.gz YRDAUZWKNNCRQS-KRWDZBQOSA-N 0 0 459.011 4.830 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001463335659 1068360326 /nfs/dbraw/zinc/36/03/26/1068360326.db2.gz OAVKQKXRNOMMPJ-QZTJIDSGSA-N 0 0 455.908 4.882 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001463335654 1068360595 /nfs/dbraw/zinc/36/05/95/1068360595.db2.gz OAVKQKXRNOMMPJ-MSOLQXFVSA-N 0 0 455.908 4.882 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OS(=O)(=O)CC[C@@H]1CCCCO1 ZINC001463338299 1068361226 /nfs/dbraw/zinc/36/12/26/1068361226.db2.gz SIZYKQIQNORNHY-KRWDZBQOSA-N 0 0 457.470 4.626 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)CCCCC1 ZINC001463339218 1068361609 /nfs/dbraw/zinc/36/16/09/1068361609.db2.gz VOJWPOFPEZYNNS-UHFFFAOYSA-N 0 0 455.328 4.631 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463339021 1068361964 /nfs/dbraw/zinc/36/19/64/1068361964.db2.gz XWPAGFWORSAODW-JOCHJYFZSA-N 0 0 457.534 4.905 20 0 JJADRN CN1CCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)c2cc(Br)ccc21 ZINC001463340618 1068362490 /nfs/dbraw/zinc/36/24/90/1068362490.db2.gz HOWGFCBUAUJJCI-UHFFFAOYSA-N 0 0 450.308 4.947 20 0 JJADRN O=S(=O)(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC001463343574 1068363932 /nfs/dbraw/zinc/36/39/32/1068363932.db2.gz BXHUELKLQLFBAV-QFBILLFUSA-N 0 0 453.461 4.645 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc12 ZINC001463344599 1068364539 /nfs/dbraw/zinc/36/45/39/1068364539.db2.gz VCIVQPGKEDGHSP-IBGZPJMESA-N 0 0 454.445 4.909 20 0 JJADRN O=S(=O)(c1ccc(F)c(Br)c1F)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001463344220 1068364579 /nfs/dbraw/zinc/36/45/79/1068364579.db2.gz TUQRRAPBUWAUJO-UHFFFAOYSA-N 0 0 457.123 4.781 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001463348562 1068366815 /nfs/dbraw/zinc/36/68/15/1068366815.db2.gz PGGBCRSJUDZBAK-AWEZNQCLSA-N 0 0 454.445 4.868 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)c3cc(C)c(Br)cc3F)CC2)cc1 ZINC001463350004 1068366841 /nfs/dbraw/zinc/36/68/41/1068366841.db2.gz QXRNPEUINFKPFF-UHFFFAOYSA-N 0 0 454.361 4.773 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001463349298 1068366923 /nfs/dbraw/zinc/36/69/23/1068366923.db2.gz ROIBKARXBNLIIT-LIRRHRJNSA-N 0 0 458.805 4.690 20 0 JJADRN O=S(=O)(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463349366 1068367043 /nfs/dbraw/zinc/36/70/43/1068367043.db2.gz SKHUJMWGJDIORC-GBXCKJPGSA-N 0 0 455.551 4.851 20 0 JJADRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC001463350527 1068367458 /nfs/dbraw/zinc/36/74/58/1068367458.db2.gz SQDNUEKFZBUENU-UHFFFAOYSA-N 0 0 454.882 4.741 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001463353236 1068368021 /nfs/dbraw/zinc/36/80/21/1068368021.db2.gz CUGVGZGSGHTMFA-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN O=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1Cl)c1ccc(Cl)cc1F ZINC001463352775 1068368068 /nfs/dbraw/zinc/36/80/68/1068368068.db2.gz OQQDDHPINUBTRD-UHFFFAOYSA-N 0 0 450.322 4.950 20 0 JJADRN O=C(Nc1cccc(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1)c1ccccc1 ZINC001463352392 1068368273 /nfs/dbraw/zinc/36/82/73/1068368273.db2.gz WDIZDYHJNXJSAI-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)NCCc3nc(Cc4ccccc4)no3)cc2)cs1 ZINC001463355024 1068368658 /nfs/dbraw/zinc/36/86/58/1068368658.db2.gz DFBUSXVPUDDORM-UHFFFAOYSA-N 0 0 450.589 4.690 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3nccs3)cc2)c1 ZINC001463355389 1068368975 /nfs/dbraw/zinc/36/89/75/1068368975.db2.gz JIFLCDQDASGDBX-FQEVSTJZSA-N 0 0 459.593 4.576 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)cc(F)c1Cl ZINC001463356020 1068369523 /nfs/dbraw/zinc/36/95/23/1068369523.db2.gz LRTZKEPXWBDHKW-UHFFFAOYSA-N 0 0 455.313 4.834 20 0 JJADRN O=S(=O)(NC(Cc1ccccc1F)Cc1ccccc1F)c1cccnc1C(F)(F)F ZINC001463357510 1068369628 /nfs/dbraw/zinc/36/96/28/1068369628.db2.gz HXGWBJCZAAJRDQ-UHFFFAOYSA-N 0 0 456.436 4.511 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc(F)c1Cl ZINC001463356356 1068369698 /nfs/dbraw/zinc/36/96/98/1068369698.db2.gz OROQVSIWTYOBHT-HXUWFJFHSA-N 0 0 459.823 4.872 20 0 JJADRN CCCc1nc(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)nn1-c1ccccc1Cl ZINC001463358021 1068370233 /nfs/dbraw/zinc/37/02/33/1068370233.db2.gz TUIQWNBBTPPHSN-UHFFFAOYSA-N 0 0 451.285 4.705 20 0 JJADRN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001463358448 1068370314 /nfs/dbraw/zinc/37/03/14/1068370314.db2.gz YCVIEINIZCAGCG-HOTGVXAUSA-N 0 0 451.555 4.680 20 0 JJADRN Cc1cc(C[C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1 ZINC001463360395 1068371196 /nfs/dbraw/zinc/37/11/96/1068371196.db2.gz OUOFJRDOLOUHLE-CQSZACIVSA-N 0 0 457.905 4.762 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(-c3ccccc3F)c1)CC2 ZINC001463361233 1068371396 /nfs/dbraw/zinc/37/13/96/1068371396.db2.gz UBHNJTOFKUQMAV-NRFANRHFSA-N 0 0 456.562 4.509 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001463363822 1068372674 /nfs/dbraw/zinc/37/26/74/1068372674.db2.gz ZKISAILYEAEULC-XUVXKRRUSA-N 0 0 479.662 4.564 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC001463366006 1068373517 /nfs/dbraw/zinc/37/35/17/1068373517.db2.gz BWGXXWGXFORBCI-UHFFFAOYSA-N 0 0 452.986 4.563 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC001463366018 1068373602 /nfs/dbraw/zinc/37/36/02/1068373602.db2.gz CNTAGOOCIQWZBO-UHFFFAOYSA-N 0 0 457.290 4.829 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2cccc(F)c2)s1 ZINC001463366195 1068373639 /nfs/dbraw/zinc/37/36/39/1068373639.db2.gz GIYQULFAPIWXGN-FQEVSTJZSA-N 0 0 450.539 4.753 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccc3)n2)c1 ZINC001463365381 1068373682 /nfs/dbraw/zinc/37/36/82/1068373682.db2.gz CUOHXIZTYOEWBJ-UHFFFAOYSA-N 0 0 459.955 4.810 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)CC2 ZINC001463367876 1068374077 /nfs/dbraw/zinc/37/40/77/1068374077.db2.gz RXUCIZYDOCRDBX-UHFFFAOYSA-N 0 0 451.906 4.917 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)[C@@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)c1 ZINC001463367899 1068374247 /nfs/dbraw/zinc/37/42/47/1068374247.db2.gz OUOXQAVPVUOTAT-QFIPXVFZSA-N 0 0 450.362 4.669 20 0 JJADRN CC(C)c1c(C(=O)N=[S@](C)(=O)c2ccccc2F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001463369820 1068374707 /nfs/dbraw/zinc/37/47/07/1068374707.db2.gz MPTFHAVHUJWIIA-WJOKGBTCSA-N 0 0 454.449 4.846 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCc4c(cccc4OC)C3)s2)cc1OC ZINC001463368230 1068374799 /nfs/dbraw/zinc/37/47/99/1068374799.db2.gz BFZCGZAEZHQLCO-SFHVURJKSA-N 0 0 452.576 4.822 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463372203 1068375117 /nfs/dbraw/zinc/37/51/17/1068375117.db2.gz FSJGLPUBBLWDHS-HXUWFJFHSA-N 0 0 459.395 4.703 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001463372914 1068375657 /nfs/dbraw/zinc/37/56/57/1068375657.db2.gz CDEQZFHOEXNXKS-FUHWJXTLSA-N 0 0 451.869 4.775 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2C[C@@H](NC(C)=O)Cc3ccccc32)cc1C(C)C ZINC001463374854 1068375993 /nfs/dbraw/zinc/37/59/93/1068375993.db2.gz MRUVWDQAOFIXKA-NRFANRHFSA-N 0 0 458.624 4.635 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001463374057 1068376056 /nfs/dbraw/zinc/37/60/56/1068376056.db2.gz MTBYTXMZUIPERW-MGPUTAFESA-N 0 0 456.439 4.618 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001463374251 1068376285 /nfs/dbraw/zinc/37/62/85/1068376285.db2.gz MHSKIWAEDIMKFU-SIBVEZHUSA-N 0 0 473.614 4.872 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001463379615 1068377465 /nfs/dbraw/zinc/37/74/65/1068377465.db2.gz ITFRWRYELALYFQ-KGLIPLIRSA-N 0 0 458.889 4.537 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001463379616 1068377516 /nfs/dbraw/zinc/37/75/16/1068377516.db2.gz ITFRWRYELALYFQ-UONOGXRCSA-N 0 0 458.889 4.537 20 0 JJADRN CCOc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC001463379715 1068377708 /nfs/dbraw/zinc/37/77/08/1068377708.db2.gz QWMPGROMBRHFBL-UHFFFAOYSA-N 0 0 458.967 4.843 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463378656 1068377746 /nfs/dbraw/zinc/37/77/46/1068377746.db2.gz PKOGRUOPLIIMGF-ZJSXRUAMSA-N 0 0 455.551 4.778 20 0 JJADRN C[C@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463380751 1068378234 /nfs/dbraw/zinc/37/82/34/1068378234.db2.gz GPZNEUUHNOOUKS-XCLFUZPHSA-N 0 0 452.345 4.532 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC001463383469 1068379250 /nfs/dbraw/zinc/37/92/50/1068379250.db2.gz SNUYARYILWROIW-UZSKZZQDSA-N 0 0 479.448 4.870 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2cccc3c2OCCO3)c2cccc(Cl)c2)cc1 ZINC001463384558 1068379687 /nfs/dbraw/zinc/37/96/87/1068379687.db2.gz WWECKVYCTVPMOU-JOCHJYFZSA-N 0 0 459.951 4.578 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463387522 1068380850 /nfs/dbraw/zinc/38/08/50/1068380850.db2.gz JGMJXLNTBBJDPY-GXFFZTMASA-N 0 0 450.807 4.944 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001463388797 1068381311 /nfs/dbraw/zinc/38/13/11/1068381311.db2.gz MKFPISYIVAGIBZ-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001463391524 1068381984 /nfs/dbraw/zinc/38/19/84/1068381984.db2.gz HSYQIGGRJBZVOZ-UHFFFAOYSA-N 0 0 456.930 4.986 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463395006 1068382849 /nfs/dbraw/zinc/38/28/49/1068382849.db2.gz CNHCRBBOLZGKCM-SJLPKXTDSA-N 0 0 451.405 4.534 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2ccccc2OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396375 1068383452 /nfs/dbraw/zinc/38/34/52/1068383452.db2.gz PURNLSUKDGCXAJ-NRFANRHFSA-N 0 0 451.466 4.791 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)C(F)(F)F ZINC001463401251 1068384768 /nfs/dbraw/zinc/38/47/68/1068384768.db2.gz NNSVFVKLSPHVGP-GOSISDBHSA-N 0 0 455.436 4.671 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC001463400999 1068384938 /nfs/dbraw/zinc/38/49/38/1068384938.db2.gz SBSCFSKIQBRGPY-ILBGXUMGSA-N 0 0 455.551 4.904 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC001463401046 1068385020 /nfs/dbraw/zinc/38/50/20/1068385020.db2.gz SCDFKKJQFNANTB-NZQKXSOJSA-N 0 0 459.514 4.902 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC001463402437 1068385391 /nfs/dbraw/zinc/38/53/91/1068385391.db2.gz UZUBPILVECXJSH-UHFFFAOYSA-N 0 0 454.951 4.734 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(OC)c2OC)c1 ZINC001463402399 1068385409 /nfs/dbraw/zinc/38/54/09/1068385409.db2.gz STIORSWOHGYUIE-ZJSXRUAMSA-N 0 0 453.560 4.632 20 0 JJADRN CCC1(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)CCCC1 ZINC001546138766 1068385477 /nfs/dbraw/zinc/38/54/77/1068385477.db2.gz MVJNWZYHPCPTBC-UHFFFAOYSA-N 0 0 461.614 4.706 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405106 1068385930 /nfs/dbraw/zinc/38/59/30/1068385930.db2.gz ADSOWZOAVZKRMQ-BONVTDFDSA-N 0 0 453.185 4.810 20 0 JJADRN CC(C)(C)[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OCc1ccccc1 ZINC001463408156 1068386933 /nfs/dbraw/zinc/38/69/33/1068386933.db2.gz BFNABKJRULIYBH-GOSISDBHSA-N 0 0 451.997 4.991 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001463408081 1068387132 /nfs/dbraw/zinc/38/71/32/1068387132.db2.gz KITXALJGVSJJLZ-BZNIZROVSA-N 0 0 452.292 4.522 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)cc1C ZINC001463409924 1068387741 /nfs/dbraw/zinc/38/77/41/1068387741.db2.gz DSVNNNATPWAVGN-UHFFFAOYSA-N 0 0 455.624 4.971 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463411449 1068388560 /nfs/dbraw/zinc/38/85/60/1068388560.db2.gz NGKAGVBXNOEFFZ-HXUWFJFHSA-N 0 0 453.963 4.809 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463411205 1068388676 /nfs/dbraw/zinc/38/86/76/1068388676.db2.gz FTGXGCIBOPCCHT-QGZVFWFLSA-N 0 0 451.658 4.544 20 0 JJADRN O=C1c2ccc(S(=O)(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)cc2CC1(Cl)Cl ZINC001463412445 1068389268 /nfs/dbraw/zinc/38/92/68/1068389268.db2.gz SXTPOBTXPMTOGW-QGZVFWFLSA-N 0 0 454.350 4.653 20 0 JJADRN Cc1ccc(Br)c2c1N(S(=O)(=O)Cc1ccc(Br)cc1)CCC2 ZINC001463413335 1068389538 /nfs/dbraw/zinc/38/95/38/1068389538.db2.gz WZSNWUPDYDRNQI-UHFFFAOYSA-N 0 0 459.203 4.803 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC001463413285 1068389590 /nfs/dbraw/zinc/38/95/90/1068389590.db2.gz VLPNSIFJZBRDGY-UHFFFAOYSA-N 0 0 456.789 4.898 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC ZINC001463414911 1068390173 /nfs/dbraw/zinc/39/01/73/1068390173.db2.gz WVZKIOXNZXONDG-QFBILLFUSA-N 0 0 451.560 4.621 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c1 ZINC001463414944 1068390753 /nfs/dbraw/zinc/39/07/53/1068390753.db2.gz WZEIYCGARMJWDI-AVYPCKFXSA-N 0 0 456.402 4.681 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC001463419436 1068391722 /nfs/dbraw/zinc/39/17/22/1068391722.db2.gz BOCYPUADZVLVCS-HNAYVOBHSA-N 0 0 452.473 4.643 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1OCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001463420479 1068392273 /nfs/dbraw/zinc/39/22/73/1068392273.db2.gz BJNLMSNSXUNTDP-RBUKOAKNSA-N 0 0 450.457 4.659 20 0 JJADRN COc1c(F)cc(Br)cc1S(=O)(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001463422807 1068392499 /nfs/dbraw/zinc/39/24/99/1068392499.db2.gz NVSIQFOWEYJBEC-UHFFFAOYSA-N 0 0 456.377 4.678 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)n1C ZINC001463422976 1068392794 /nfs/dbraw/zinc/39/27/94/1068392794.db2.gz LPRKQIAXRWIYOQ-MRXNPFEDSA-N 0 0 459.757 4.905 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCCC[C@@H]3c3ccc(C(=O)OC)n3C)cs2)cc1 ZINC001463425068 1068393106 /nfs/dbraw/zinc/39/31/06/1068393106.db2.gz QZXHOEPMLSOATR-OAQYLSRUSA-N 0 0 451.592 4.794 20 0 JJADRN O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001463428397 1068393859 /nfs/dbraw/zinc/39/38/59/1068393859.db2.gz KDEFORPAYZBMFF-HUUCEWRRSA-N 0 0 451.304 4.817 20 0 JJADRN CCc1ccc(C2=CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3C(=O)OC)CC2)cc1 ZINC001463429445 1068394212 /nfs/dbraw/zinc/39/42/12/1068394212.db2.gz CYFRSKUTQWFNOL-UHFFFAOYSA-N 0 0 453.482 4.532 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1cc(Cl)ccc1OC(F)F ZINC001463430347 1068394647 /nfs/dbraw/zinc/39/46/47/1068394647.db2.gz DHDVOOWLHDJGKV-MRVPVSSYSA-N 0 0 458.683 4.883 20 0 JJADRN Cc1nc([C@@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c2ccc(Cl)cc2)no1 ZINC001463430919 1068394893 /nfs/dbraw/zinc/39/48/93/1068394893.db2.gz ZNIGRQBVYVAZOP-KRWDZBQOSA-N 0 0 454.360 4.967 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431759 1068395548 /nfs/dbraw/zinc/39/55/48/1068395548.db2.gz FMKIHJGIQUOSAE-XOBRGWDASA-N 0 0 454.926 4.644 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001463432935 1068395607 /nfs/dbraw/zinc/39/56/07/1068395607.db2.gz GBIWKOJMMVLBIV-SFHVURJKSA-N 0 0 455.555 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC001463434792 1068395957 /nfs/dbraw/zinc/39/59/57/1068395957.db2.gz IGFWLZCHXNLSPM-LJQANCHMSA-N 0 0 451.567 4.706 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001463434630 1068396220 /nfs/dbraw/zinc/39/62/20/1068396220.db2.gz OSPPBLCYGHLNRS-SNVBAGLBSA-N 0 0 457.276 4.709 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(Br)cc2Cl)CC[C@@H](C)c2ccccc21 ZINC001463433861 1068396435 /nfs/dbraw/zinc/39/64/35/1068396435.db2.gz CYYVGBNHXLLCPL-LRTDBIEQSA-N 0 0 450.760 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(c2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2)CC1 ZINC001463435427 1068396685 /nfs/dbraw/zinc/39/66/85/1068396685.db2.gz NMEYZFKYPINQLF-UHFFFAOYSA-N 0 0 451.491 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC001463436811 1068397217 /nfs/dbraw/zinc/39/72/17/1068397217.db2.gz KRQPUVQBDHWUOB-IBGZPJMESA-N 0 0 457.615 4.972 20 0 JJADRN O=C1OCc2ccc(S(=O)(=O)N[C@@H]3CCCCC[C@H]3c3ccccc3C(F)(F)F)cc21 ZINC001463437846 1068397612 /nfs/dbraw/zinc/39/76/12/1068397612.db2.gz ZTOQKUTVCAWRBV-FXAWDEMLSA-N 0 0 453.482 4.771 20 0 JJADRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 ZINC001463437927 1068397630 /nfs/dbraw/zinc/39/76/30/1068397630.db2.gz OLSCTOOQPLDNLL-LJQANCHMSA-N 0 0 453.560 4.623 20 0 JJADRN O=C1OCc2ccc(S(=O)(=O)N[C@H]3CCCCC[C@@H]3c3ccccc3C(F)(F)F)cc21 ZINC001463437864 1068397647 /nfs/dbraw/zinc/39/76/47/1068397647.db2.gz ZTOQKUTVCAWRBV-XLIONFOSSA-N 0 0 453.482 4.771 20 0 JJADRN O=C1CCCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463442544 1068398864 /nfs/dbraw/zinc/39/88/64/1068398864.db2.gz YCRSONZQPHSSRA-CVEARBPZSA-N 0 0 458.527 4.741 20 0 JJADRN O=S(=O)(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(Sc2ccccc2)c1 ZINC001463445222 1068399106 /nfs/dbraw/zinc/39/91/06/1068399106.db2.gz MIUCUYIUSFIXAL-FQEVSTJZSA-N 0 0 453.507 4.869 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001463446866 1068399711 /nfs/dbraw/zinc/39/97/11/1068399711.db2.gz IXDKMNZSFGCLCM-SNVBAGLBSA-N 0 0 453.374 4.997 20 0 JJADRN COc1nc(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC001463450333 1068400929 /nfs/dbraw/zinc/40/09/29/1068400929.db2.gz HNWGOPCEVMBSFC-LJQANCHMSA-N 0 0 453.583 4.791 20 0 JJADRN CC(=O)Nc1cc(S(=O)(=O)Oc2ccc(Br)cc2C(F)(F)F)ccc1C ZINC001463450533 1068401739 /nfs/dbraw/zinc/40/17/39/1068401739.db2.gz KWVNTNRUCWICSK-UHFFFAOYSA-N 0 0 452.248 4.502 20 0 JJADRN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC001463450688 1068401776 /nfs/dbraw/zinc/40/17/76/1068401776.db2.gz NKAMBJIWGBRTJR-FQEVSTJZSA-N 0 0 450.608 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)Cc3cccc(Cl)c3Cl)n2)C1 ZINC001463452557 1068402016 /nfs/dbraw/zinc/40/20/16/1068402016.db2.gz ISWWHDSQOJQDRG-AWEZNQCLSA-N 0 0 451.354 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)n2)C1 ZINC001463451916 1068402112 /nfs/dbraw/zinc/40/21/12/1068402112.db2.gz GSNNDZTYGYLFDT-MRXNPFEDSA-N 0 0 452.486 4.852 20 0 JJADRN O=C(C[C@H]1CCCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC001463453123 1068403024 /nfs/dbraw/zinc/40/30/24/1068403024.db2.gz OFHNFIILXNIMDR-OAHLLOKOSA-N 0 0 453.010 4.951 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)C1 ZINC001463455480 1068404293 /nfs/dbraw/zinc/40/42/93/1068404293.db2.gz SQURULCNTRPDIN-HDICACEKSA-N 0 0 451.430 4.674 20 0 JJADRN COc1ccc(C(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001463454803 1068404479 /nfs/dbraw/zinc/40/44/79/1068404479.db2.gz WOCNXIIKHKYFOI-UHFFFAOYSA-N 0 0 450.885 4.753 20 0 JJADRN CCC1(Cn2c(-c3cnccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CCCC1 ZINC001546138820 1068406085 /nfs/dbraw/zinc/40/60/85/1068406085.db2.gz OORPXIDWADBNIV-UHFFFAOYSA-N 0 0 451.522 4.817 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCCC[C@H]2c2ccccc2)C1)OCc1ccccc1 ZINC001463459946 1068406739 /nfs/dbraw/zinc/40/67/39/1068406739.db2.gz FONWOQNQLIZGQY-NHTMILBNSA-N 0 0 456.608 4.639 20 0 JJADRN Cc1sc(NC(=O)c2ccc(I)c(Cl)c2)nc1Br ZINC001463480488 1068406856 /nfs/dbraw/zinc/40/68/56/1068406856.db2.gz SALCZRAIWLCPTO-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN C[C@@H]1Cc2cc(-c3ccc(CNS(=O)(=O)CCCOCc4ccccc4)cc3)ccc2O1 ZINC001463462718 1068407607 /nfs/dbraw/zinc/40/76/07/1068407607.db2.gz IRLXNRHGIGVASQ-HXUWFJFHSA-N 0 0 451.588 4.703 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1 ZINC001463463362 1068408218 /nfs/dbraw/zinc/40/82/18/1068408218.db2.gz NYUGUOAKLKBWPU-UHFFFAOYSA-N 0 0 457.926 4.851 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001463463734 1068408329 /nfs/dbraw/zinc/40/83/29/1068408329.db2.gz PIQDRTXLCKDRSJ-INIZCTEOSA-N 0 0 459.999 4.933 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)c(=O)oc2c1 ZINC001463464178 1068409094 /nfs/dbraw/zinc/40/90/94/1068409094.db2.gz AGZVWCSXRZSVKZ-JOCHJYFZSA-N 0 0 455.558 4.791 20 0 JJADRN COc1cc(Br)c(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)cc1OC ZINC001463464198 1068409170 /nfs/dbraw/zinc/40/91/70/1068409170.db2.gz AHXLIFSIRNDTRC-QGZVFWFLSA-N 0 0 455.352 4.618 20 0 JJADRN O=S(=O)(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC001463466911 1068410698 /nfs/dbraw/zinc/41/06/98/1068410698.db2.gz OYTXZVJXJIUKNJ-IBGZPJMESA-N 0 0 453.894 4.620 20 0 JJADRN CCc1cc(S(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(C)cc1OC ZINC001463467449 1068410749 /nfs/dbraw/zinc/41/07/49/1068410749.db2.gz RCAHTYFSPBCNNP-SFHVURJKSA-N 0 0 456.377 4.993 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OCC(F)F)cc1 ZINC001463470406 1068412210 /nfs/dbraw/zinc/41/22/10/1068412210.db2.gz IRSZQKYUQHBSNF-HXUWFJFHSA-N 0 0 452.910 4.641 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3c4ccc(Cl)cc4C[C@H]3C)cc2)c1C ZINC001463470251 1068412258 /nfs/dbraw/zinc/41/22/58/1068412258.db2.gz DOKDBNNBMMKKFC-OAHLLOKOSA-N 0 0 451.954 4.840 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)c(Cl)n1 ZINC001463470889 1068413057 /nfs/dbraw/zinc/41/30/57/1068413057.db2.gz ADODGFAOCDPJOS-INIZCTEOSA-N 0 0 452.736 4.546 20 0 JJADRN O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001463474385 1068413791 /nfs/dbraw/zinc/41/37/91/1068413791.db2.gz RAYAAUWPFPHYTH-INIZCTEOSA-N 0 0 459.461 4.931 20 0 JJADRN O=C(Nc1ccccc1-c1nccs1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001463473356 1068413800 /nfs/dbraw/zinc/41/38/00/1068413800.db2.gz NFXUJIGAVIAEFO-OAHLLOKOSA-N 0 0 457.502 4.902 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2cccs2)cc1OCC ZINC001463477918 1068414958 /nfs/dbraw/zinc/41/49/58/1068414958.db2.gz ZLESVMJVJNIJLA-KRWDZBQOSA-N 0 0 451.610 4.752 20 0 JJADRN O=C(CCOc1cccc(I)c1)Nc1ccccc1-c1nccs1 ZINC001463477959 1068415065 /nfs/dbraw/zinc/41/50/65/1068415065.db2.gz YQVSVDWCZLZUAJ-UHFFFAOYSA-N 0 0 450.301 4.822 20 0 JJADRN O=S(=O)(c1oc2ccccc2c1Br)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001463477763 1068415102 /nfs/dbraw/zinc/41/51/02/1068415102.db2.gz MFVIDDJCNQAFSW-INIZCTEOSA-N 0 0 456.745 4.611 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)N(c3ccccc3Br)C1)C2 ZINC001463480602 1068415677 /nfs/dbraw/zinc/41/56/77/1068415677.db2.gz CFEPYZRVVSEUSO-SFHVURJKSA-N 0 0 455.396 4.684 20 0 JJADRN O=C1CCc2ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c3cccc(C(F)(F)F)c3)cc21 ZINC001463486995 1068417158 /nfs/dbraw/zinc/41/71/58/1068417158.db2.gz YGCDPKSTQGRLSW-MRXNPFEDSA-N 0 0 451.388 4.806 20 0 JJADRN COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001463491308 1068417660 /nfs/dbraw/zinc/41/76/60/1068417660.db2.gz DYQCSEXJXUPUHM-OAHLLOKOSA-N 0 0 454.495 4.592 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NC[C@H]3CCCc4cc(OC)ccc43)cc2)cc1 ZINC001463490047 1068417750 /nfs/dbraw/zinc/41/77/50/1068417750.db2.gz CCSZLJMGSAKVET-LJQANCHMSA-N 0 0 453.560 4.895 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC001463492856 1068418598 /nfs/dbraw/zinc/41/85/98/1068418598.db2.gz HFWYGEUQKXVPIU-CQSZACIVSA-N 0 0 450.329 4.737 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)CC1=O ZINC001463495698 1068419142 /nfs/dbraw/zinc/41/91/42/1068419142.db2.gz VQMDNIOJPZKMIQ-ZWKOTPCHSA-N 0 0 452.551 4.766 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)CC1=O ZINC001463495689 1068419150 /nfs/dbraw/zinc/41/91/50/1068419150.db2.gz VQMDNIOJPZKMIQ-QZTJIDSGSA-N 0 0 452.551 4.766 20 0 JJADRN COCC1(CS(=O)(=O)Oc2cc3ccccc3cc2C(=O)Nc2ccc(C)cc2)CCC1 ZINC001463498446 1068419846 /nfs/dbraw/zinc/41/98/46/1068419846.db2.gz VKYZNRNITVNFIH-UHFFFAOYSA-N 0 0 453.560 4.926 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)c2cccc(Cl)c2O1 ZINC001463500544 1068420604 /nfs/dbraw/zinc/42/06/04/1068420604.db2.gz SKXPSHSRDFUASA-CYBMUJFWSA-N 0 0 455.363 4.635 20 0 JJADRN Cc1cccc(COc2ccc(CNS(=O)(=O)c3cc4c(cc3Cl)CCC4=O)cc2)c1 ZINC001463509747 1068424016 /nfs/dbraw/zinc/42/40/16/1068424016.db2.gz LGEKWQCPXZPZEX-UHFFFAOYSA-N 0 0 455.963 4.835 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)c1 ZINC001463511003 1068424504 /nfs/dbraw/zinc/42/45/04/1068424504.db2.gz ORZFUDPOHWXVQR-UHFFFAOYSA-N 0 0 457.445 4.652 20 0 JJADRN O=C(Nc1cc(Cl)c2c(c1)OCCO2)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001463510897 1068424571 /nfs/dbraw/zinc/42/45/71/1068424571.db2.gz DOVPIRNEDNZOEE-GOSISDBHSA-N 0 0 451.748 4.649 20 0 JJADRN CCc1ccc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)CCO2)cc1 ZINC001463515455 1068425308 /nfs/dbraw/zinc/42/53/08/1068425308.db2.gz VLTRKNMUXGWXHG-JOCHJYFZSA-N 0 0 450.000 4.844 20 0 JJADRN COc1ccc(Br)c(CN(C)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001463516842 1068425828 /nfs/dbraw/zinc/42/58/28/1068425828.db2.gz AQRCHZGLBYLFJA-UHFFFAOYSA-N 0 0 453.185 4.726 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1 ZINC001463516556 1068425887 /nfs/dbraw/zinc/42/58/87/1068425887.db2.gz DLRRLNULZJAWRM-UHFFFAOYSA-N 0 0 455.979 4.688 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)cs2)cc1 ZINC001463515958 1068425953 /nfs/dbraw/zinc/42/59/53/1068425953.db2.gz YAZNWKUADFSVMX-DVECYGJZSA-N 0 0 457.596 4.871 20 0 JJADRN CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)C(F)(F)F ZINC001463521136 1068426638 /nfs/dbraw/zinc/42/66/38/1068426638.db2.gz JKTSATHHRHZOMH-MRXNPFEDSA-N 0 0 456.440 4.762 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC001463524312 1068428101 /nfs/dbraw/zinc/42/81/01/1068428101.db2.gz FWHKZKNYLWDIFL-BFUOFWGJSA-N 0 0 458.805 4.703 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1C(C)C ZINC001463531770 1068430041 /nfs/dbraw/zinc/43/00/41/1068430041.db2.gz XSWLLDFOGDNJQF-QFIPXVFZSA-N 0 0 450.645 4.591 20 0 JJADRN COc1cccc(S(=O)(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c1F ZINC001463532732 1068430169 /nfs/dbraw/zinc/43/01/69/1068430169.db2.gz LPODUAQOVMHVHX-UHFFFAOYSA-N 0 0 454.273 4.552 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1c[nH]nc1-c1ccncc1 ZINC001463534454 1068431539 /nfs/dbraw/zinc/43/15/39/1068431539.db2.gz FIAZYDFMLPMOCD-UHFFFAOYSA-N 0 0 451.408 4.995 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC001463537149 1068432992 /nfs/dbraw/zinc/43/29/92/1068432992.db2.gz DRIKAYOFTCUOFZ-OALUTQOASA-N 0 0 453.587 4.549 20 0 JJADRN O=C(Nc1ccccc1NC(=O)c1cc(I)ccc1O)c1ccccc1 ZINC001463537717 1068433166 /nfs/dbraw/zinc/43/31/66/1068433166.db2.gz SRWICFNIZDAMGU-UHFFFAOYSA-N 0 0 458.255 4.501 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(-c2nc[nH]n2)cc1 ZINC001463538916 1068433862 /nfs/dbraw/zinc/43/38/62/1068433862.db2.gz XEGALTBRCWNKQS-UHFFFAOYSA-N 0 0 451.408 4.995 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@H](NS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC001463541000 1068434534 /nfs/dbraw/zinc/43/45/34/1068434534.db2.gz FQHPVQCQMPMAJZ-BHIFYINESA-N 0 0 450.645 4.702 20 0 JJADRN COc1ccc(CC(C)(C)NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC001463540997 1068435280 /nfs/dbraw/zinc/43/52/80/1068435280.db2.gz XIRWELSTGGAVDZ-UHFFFAOYSA-N 0 0 450.757 4.550 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC001463543397 1068436015 /nfs/dbraw/zinc/43/60/15/1068436015.db2.gz ABISBQHPYLNXOO-UHFFFAOYSA-N 0 0 458.967 4.512 20 0 JJADRN COC(=O)c1cc2ccc(OS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2o1 ZINC001463545090 1068436663 /nfs/dbraw/zinc/43/66/63/1068436663.db2.gz WZGMVWBPQDAQFH-UHFFFAOYSA-N 0 0 450.774 4.539 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C(F)(F)F ZINC001463545618 1068436745 /nfs/dbraw/zinc/43/67/45/1068436745.db2.gz ZDPSEOHVAPXHPA-IRXDYDNUSA-N 0 0 454.297 4.599 20 0 JJADRN O=S(=O)(c1ccccc1OC(F)F)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001463546579 1068437285 /nfs/dbraw/zinc/43/72/85/1068437285.db2.gz REHGJOFSQNMUJR-CQSZACIVSA-N 0 0 453.454 4.786 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCc2nc3cccc(Cl)c3n2C)cc1C(C)(C)C ZINC001463547333 1068437397 /nfs/dbraw/zinc/43/73/97/1068437397.db2.gz VUPJQDXQQLKRNS-UHFFFAOYSA-N 0 0 450.004 4.792 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001463561040 1068443300 /nfs/dbraw/zinc/44/33/00/1068443300.db2.gz NHUNXHKCQQTYHW-HUUCEWRRSA-N 0 0 458.805 4.801 20 0 JJADRN O=S(=O)(NCC1(CCOCc2ccccc2)CC1)c1ccc(Cl)cc1Br ZINC001463562568 1068444105 /nfs/dbraw/zinc/44/41/05/1068444105.db2.gz PSVIHOAURXCSEG-UHFFFAOYSA-N 0 0 458.805 4.768 20 0 JJADRN COC[C@@]1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCCN1C(=O)OC(C)(C)C ZINC001463563981 1068445657 /nfs/dbraw/zinc/44/56/57/1068445657.db2.gz SBUHUYAVHXGHCF-HHHXNRCGSA-N 0 0 452.595 4.741 20 0 JJADRN Cc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463566239 1068447439 /nfs/dbraw/zinc/44/74/39/1068447439.db2.gz YFOMHISFTMPXTM-UHFFFAOYSA-N 0 0 454.939 4.507 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cccc2ccncc21 ZINC001463566566 1068447455 /nfs/dbraw/zinc/44/74/55/1068447455.db2.gz BVTRDQSRHFHKDX-OAQYLSRUSA-N 0 0 453.564 4.938 20 0 JJADRN O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC001463567616 1068448080 /nfs/dbraw/zinc/44/80/80/1068448080.db2.gz ZTKMRJLFWVVGAI-MRXNPFEDSA-N 0 0 459.287 4.969 20 0 JJADRN CN(C)[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001463567499 1068448094 /nfs/dbraw/zinc/44/80/94/1068448094.db2.gz BOBXKGWGHKBUBB-QGZVFWFLSA-N 0 0 455.329 4.735 20 0 JJADRN O=C(c1ccccc1Oc1ccncc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463571428 1068451084 /nfs/dbraw/zinc/45/10/84/1068451084.db2.gz WDDMVSRPTNOAJD-UHFFFAOYSA-N 0 0 458.381 4.656 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)n(-c4cnn(C)c4)c3C)cc2)cc1 ZINC001463572635 1068451681 /nfs/dbraw/zinc/45/16/81/1068451681.db2.gz NNOQVUROULJHMQ-UHFFFAOYSA-N 0 0 457.534 4.731 20 0 JJADRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC001463576360 1068452393 /nfs/dbraw/zinc/45/23/93/1068452393.db2.gz FETIPEBUVZQLAV-OAHLLOKOSA-N 0 0 458.502 4.532 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001463575990 1068452454 /nfs/dbraw/zinc/45/24/54/1068452454.db2.gz VTSUNBPAKDECOD-MNEFBYGVSA-N 0 0 452.979 4.790 20 0 JJADRN O=S(=O)(Cc1ccccc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463577147 1068453175 /nfs/dbraw/zinc/45/31/75/1068453175.db2.gz IWZVHGOUBLEBTO-KRWDZBQOSA-N 0 0 453.404 4.628 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)cc1Cl ZINC001463578832 1068453212 /nfs/dbraw/zinc/45/32/12/1068453212.db2.gz KYJDPELRVQWBQV-UHFFFAOYSA-N 0 0 458.805 4.854 20 0 JJADRN Cc1csc(S(=O)(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 ZINC001463580152 1068454516 /nfs/dbraw/zinc/45/45/16/1068454516.db2.gz UTOPFKPZZVNAGZ-AWEZNQCLSA-N 0 0 459.433 4.856 20 0 JJADRN CC(C)N(c1ccc(CC(=O)N(C)C)cc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001463580260 1068454526 /nfs/dbraw/zinc/45/45/26/1068454526.db2.gz FLXXJCAMVWISTO-UHFFFAOYSA-N 0 0 450.560 4.820 20 0 JJADRN CCCOc1ccc(C(C)(C)NS(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)cc1 ZINC001463583043 1068456285 /nfs/dbraw/zinc/45/62/85/1068456285.db2.gz HBSJUGWLAUAKBG-UHFFFAOYSA-N 0 0 457.951 4.658 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001463595435 1068459445 /nfs/dbraw/zinc/45/94/45/1068459445.db2.gz FUKFCSSVNZTRIH-HSZRJFAPSA-N 0 0 458.624 4.849 20 0 JJADRN COc1ccc(S(=O)(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)cc1Br ZINC001463592613 1068459511 /nfs/dbraw/zinc/45/95/11/1068459511.db2.gz YNEJWHXKSVQOJW-UHFFFAOYSA-N 0 0 451.169 4.732 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001463599592 1068460956 /nfs/dbraw/zinc/46/09/56/1068460956.db2.gz SQLCWFUMFUBPHL-AWEZNQCLSA-N 0 0 459.033 4.870 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001463600293 1068460980 /nfs/dbraw/zinc/46/09/80/1068460980.db2.gz UKRRYDHLECIPTL-GOSISDBHSA-N 0 0 456.608 4.573 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c2cc(Br)ccc2O1 ZINC001463603453 1068461720 /nfs/dbraw/zinc/46/17/20/1068461720.db2.gz BHXSVKOYDSFAAF-SNVBAGLBSA-N 0 0 451.169 4.873 20 0 JJADRN Cc1cc(F)c(S(=O)(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1F ZINC001463601171 1068461798 /nfs/dbraw/zinc/46/17/98/1068461798.db2.gz ZIGNZHRRAJZJBN-UHFFFAOYSA-N 0 0 453.404 4.821 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Cl ZINC001463605118 1068463340 /nfs/dbraw/zinc/46/33/40/1068463340.db2.gz ATJZOUHEMBMJPT-HNNXBMFYSA-N 0 0 459.248 4.673 20 0 JJADRN CCC[C@]1(COC)CCCN1S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001463606133 1068463346 /nfs/dbraw/zinc/46/33/46/1068463346.db2.gz JAJUNUVCMVZMQD-GOSISDBHSA-N 0 0 459.431 4.542 20 0 JJADRN C[C@@H](NS(=O)(=O)c1c[nH]c2c1cccc2Br)c1ccc(Br)cc1 ZINC001463608082 1068464677 /nfs/dbraw/zinc/46/46/77/1068464677.db2.gz IUDDMYHUUHXFDP-SNVBAGLBSA-N 0 0 458.175 4.732 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001463616832 1068467901 /nfs/dbraw/zinc/46/79/01/1068467901.db2.gz CQSPWJWKXHVVBP-OALUTQOASA-N 0 0 450.608 4.848 20 0 JJADRN O=C(c1ccco1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CC1 ZINC001463618117 1068468436 /nfs/dbraw/zinc/46/84/36/1068468436.db2.gz LRMSTGQJXXALER-UHFFFAOYSA-N 0 0 459.329 4.764 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cnc(Cl)cc1Cl ZINC001463619610 1068468498 /nfs/dbraw/zinc/46/84/98/1068468498.db2.gz VOUJFBLLRWFKGH-MGCOHNPYSA-N 0 0 454.148 4.515 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccc(O)c1F ZINC001463621348 1068469463 /nfs/dbraw/zinc/46/94/63/1068469463.db2.gz UZZKFHBFWAUQND-UHFFFAOYSA-N 0 0 454.401 4.603 20 0 JJADRN COc1ccc(CCNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001463621504 1068470053 /nfs/dbraw/zinc/47/00/53/1068470053.db2.gz OJEWLQJJWRIKBN-UHFFFAOYSA-N 0 0 458.558 4.671 20 0 JJADRN CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)no1 ZINC001463623850 1068470685 /nfs/dbraw/zinc/47/06/85/1068470685.db2.gz IXSDCLCGQRKNAE-UHFFFAOYSA-N 0 0 453.442 4.699 20 0 JJADRN Cc1cc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1OC(C)C ZINC001463625896 1068472171 /nfs/dbraw/zinc/47/21/71/1068472171.db2.gz LWHLSNMAGXOKAF-UHFFFAOYSA-N 0 0 457.514 4.785 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC001463627083 1068472877 /nfs/dbraw/zinc/47/28/77/1068472877.db2.gz QQKZWLYCEGHKFG-QFIPXVFZSA-N 0 0 456.464 4.631 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)CC2 ZINC001463627464 1068473533 /nfs/dbraw/zinc/47/35/33/1068473533.db2.gz SBHKNIRZCJWNSR-LJQANCHMSA-N 0 0 456.951 4.818 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C3)cc1 ZINC001463628775 1068474227 /nfs/dbraw/zinc/47/42/27/1068474227.db2.gz BRWCFVGMJLOKDA-UHFFFAOYSA-N 0 0 450.391 4.851 20 0 JJADRN CN1CCCc2ccc(S(=O)(=O)Oc3ccc(NC(=O)OC(C)(C)C)cc3Cl)cc21 ZINC001463630606 1068475043 /nfs/dbraw/zinc/47/50/43/1068475043.db2.gz NLHCWGNNWHWYEK-UHFFFAOYSA-N 0 0 452.960 4.837 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 ZINC001463634765 1068476794 /nfs/dbraw/zinc/47/67/94/1068476794.db2.gz DXJNPLHGJOUWAY-FQEVSTJZSA-N 0 0 451.430 4.913 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)cc2)cc1 ZINC001463637415 1068477456 /nfs/dbraw/zinc/47/74/56/1068477456.db2.gz YNRJUWFGYWOBIO-AOMKIAJQSA-N 0 0 456.589 4.746 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC001463638467 1068477705 /nfs/dbraw/zinc/47/77/05/1068477705.db2.gz DDSJYZICJGVKST-CQSZACIVSA-N 0 0 455.424 4.764 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001463641380 1068478312 /nfs/dbraw/zinc/47/83/12/1068478312.db2.gz SDSNRCJTVXYPKL-GOSISDBHSA-N 0 0 459.356 4.793 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC001463644726 1068479568 /nfs/dbraw/zinc/47/95/68/1068479568.db2.gz RWPVXFNNHYJZFZ-UHFFFAOYSA-N 0 0 458.967 4.778 20 0 JJADRN Cn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1C(F)(F)F ZINC001463643651 1068479595 /nfs/dbraw/zinc/47/95/95/1068479595.db2.gz ZRHLDUXYJLDHQY-AWEZNQCLSA-N 0 0 455.424 4.764 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc1Cl ZINC001463650322 1068480828 /nfs/dbraw/zinc/48/08/28/1068480828.db2.gz IYSAMLRZVDMKIS-INIZCTEOSA-N 0 0 458.967 4.917 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1 ZINC001463652980 1068482475 /nfs/dbraw/zinc/48/24/75/1068482475.db2.gz IGEIHRQSKJCXAV-UHFFFAOYSA-N 0 0 453.963 4.707 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001463653020 1068482540 /nfs/dbraw/zinc/48/25/40/1068482540.db2.gz JRAXCPSFXQFECI-KRWDZBQOSA-N 0 0 458.967 4.993 20 0 JJADRN O=C(c1cc(Br)ccc1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463654370 1068483235 /nfs/dbraw/zinc/48/32/35/1068483235.db2.gz FHLHIEONNZFUJU-UHFFFAOYSA-N 0 0 451.364 4.702 20 0 JJADRN Cc1nc(Br)sc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463654291 1068483277 /nfs/dbraw/zinc/48/32/77/1068483277.db2.gz DOBKRPWDSUMZEK-UHFFFAOYSA-N 0 0 456.409 4.761 20 0 JJADRN O=S(=O)(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)ccc1Br ZINC001463655668 1068483722 /nfs/dbraw/zinc/48/37/22/1068483722.db2.gz DQVGRVKAJHNEKN-LBPRGKRZSA-N 0 0 455.132 4.697 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546140669 1068483755 /nfs/dbraw/zinc/48/37/55/1068483755.db2.gz LCTGZCNZTYNKJT-GHTZIAJQSA-N 0 0 460.644 4.701 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 ZINC001463655547 1068483823 /nfs/dbraw/zinc/48/38/23/1068483823.db2.gz WRYLRZQKTSVPBU-FQEVSTJZSA-N 0 0 452.507 4.684 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC001463656227 1068484273 /nfs/dbraw/zinc/48/42/73/1068484273.db2.gz BUOHPCSWKZCEAK-UHFFFAOYSA-N 0 0 458.683 4.664 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)Oc2cccc3cc(Br)cnc32)c1 ZINC001463659781 1068485796 /nfs/dbraw/zinc/48/57/96/1068485796.db2.gz UOPQCMUAFSESKE-UHFFFAOYSA-N 0 0 457.143 4.836 20 0 JJADRN CCCCOC(=O)c1ccc(NC(=O)c2ccnc(Cl)c2I)cc1 ZINC001463661344 1068486353 /nfs/dbraw/zinc/48/63/53/1068486353.db2.gz XVARQVIMCNUVGQ-UHFFFAOYSA-N 0 0 458.683 4.549 20 0 JJADRN Cc1c(S(=O)(=O)NCc2cc(F)c(F)cc2Br)sc2cccc(F)c12 ZINC001463664834 1068487692 /nfs/dbraw/zinc/48/76/92/1068487692.db2.gz CTTLPRLRZMYBGT-UHFFFAOYSA-N 0 0 450.301 4.868 20 0 JJADRN CC[C@@H](c1cccc(OC)c1)N(C)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463666331 1068488477 /nfs/dbraw/zinc/48/84/77/1068488477.db2.gz QTESZHMVBOWSFG-IBGZPJMESA-N 0 0 452.370 4.604 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC001463666236 1068488523 /nfs/dbraw/zinc/48/85/23/1068488523.db2.gz PMYOCVAFYOPHHD-QHCPKHFHSA-N 0 0 456.608 4.765 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001463665963 1068488583 /nfs/dbraw/zinc/48/85/83/1068488583.db2.gz HABKPHCNYCQMHW-KRWDZBQOSA-N 0 0 450.988 4.705 20 0 JJADRN CC[C@H](c1cccc(OC)c1)N(C)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463666335 1068488612 /nfs/dbraw/zinc/48/86/12/1068488612.db2.gz QTESZHMVBOWSFG-LJQANCHMSA-N 0 0 452.370 4.604 20 0 JJADRN CCc1ccccc1S(=O)(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC001463667123 1068489137 /nfs/dbraw/zinc/48/91/37/1068489137.db2.gz JXZQCDLKDDJOQM-IBGZPJMESA-N 0 0 451.430 4.576 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC001463672748 1068489711 /nfs/dbraw/zinc/48/97/11/1068489711.db2.gz DWFIZVCNUTZVPH-FQEVSTJZSA-N 0 0 452.576 4.956 20 0 JJADRN Cc1nc(S(=O)(=O)NCc2ccncc2OCc2ccccc2)c(-c2ccccc2)s1 ZINC001463676177 1068490533 /nfs/dbraw/zinc/49/05/33/1068490533.db2.gz LEPCWUVPXMBJLY-UHFFFAOYSA-N 0 0 451.573 4.571 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001463678761 1068491056 /nfs/dbraw/zinc/49/10/56/1068491056.db2.gz KJWFBIZIYDBJML-QFBILLFUSA-N 0 0 453.377 4.809 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC001463677894 1068491126 /nfs/dbraw/zinc/49/11/26/1068491126.db2.gz DMXCFIWBYLMWCS-KNQAVFIVSA-N 0 0 458.624 4.729 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001463680935 1068491687 /nfs/dbraw/zinc/49/16/87/1068491687.db2.gz GJCKAKRIZAYJAT-DNQXCXABSA-N 0 0 457.523 4.611 20 0 JJADRN 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CCc1cc(S(=O)(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)c(C)cc1OC ZINC001463779485 1068522639 /nfs/dbraw/zinc/52/26/39/1068522639.db2.gz BEFUONVHCYZZBA-HXUWFJFHSA-N 0 0 452.414 4.930 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC001463783796 1068523039 /nfs/dbraw/zinc/52/30/39/1068523039.db2.gz ILHKVVJRYFKBKE-LJQANCHMSA-N 0 0 452.359 4.681 20 0 JJADRN CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1CC ZINC001463783767 1068523110 /nfs/dbraw/zinc/52/31/10/1068523110.db2.gz KSNFYZKWLBXKIK-UHFFFAOYSA-N 0 0 458.624 4.978 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cc1 ZINC001463787395 1068524249 /nfs/dbraw/zinc/52/42/49/1068524249.db2.gz RLAJBSIWOFJLBT-OAQYLSRUSA-N 0 0 451.032 4.660 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N1CCc2c(Cl)cc(F)cc2C1 ZINC001463791381 1068525373 /nfs/dbraw/zinc/52/53/73/1068525373.db2.gz PMLBLWVUAAKQBZ-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN CCc1nccn1[C@H](C)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463792637 1068525885 /nfs/dbraw/zinc/52/58/85/1068525885.db2.gz AHAGRRNLCUGLPZ-LJQANCHMSA-N 0 0 452.549 4.609 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)c3nc4ccc(Br)cn4c3F)s2)cs1 ZINC001463795995 1068527572 /nfs/dbraw/zinc/52/75/72/1068527572.db2.gz ONRYIQIVXDVUPC-UHFFFAOYSA-N 0 0 451.346 4.659 20 0 JJADRN O=S(=O)(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001463796928 1068527626 /nfs/dbraw/zinc/52/76/26/1068527626.db2.gz MKCWDJDPNSOKPK-UHFFFAOYSA-N 0 0 451.869 4.568 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(c3ccc(C)cc3C)CCCC2)c1 ZINC001463800938 1068529177 /nfs/dbraw/zinc/52/91/77/1068529177.db2.gz XYGIFDRYQDVJBA-UHFFFAOYSA-N 0 0 450.000 4.924 20 0 JJADRN CSCC[C@@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC001463800687 1068529811 /nfs/dbraw/zinc/52/98/11/1068529811.db2.gz RPJHMBGDKLPMJY-RBFDBLARSA-N 0 0 456.440 4.808 20 0 JJADRN CSCC[C@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC001463800686 1068529827 /nfs/dbraw/zinc/52/98/27/1068529827.db2.gz RPJHMBGDKLPMJY-QZFKAFNDSA-N 0 0 456.440 4.808 20 0 JJADRN O=C(c1cc(-c2c(F)cccc2F)no1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463805334 1068531400 /nfs/dbraw/zinc/53/14/00/1068531400.db2.gz NCUWYZDJPBSAPM-UHFFFAOYSA-N 0 0 451.395 4.597 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001463806289 1068531746 /nfs/dbraw/zinc/53/17/46/1068531746.db2.gz OFOWMMQEBXOHEP-HNAYVOBHSA-N 0 0 458.805 4.545 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001463806287 1068531758 /nfs/dbraw/zinc/53/17/58/1068531758.db2.gz OFOWMMQEBXOHEP-DNVCBOLYSA-N 0 0 458.805 4.545 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)cc2N1 ZINC001463808430 1068532101 /nfs/dbraw/zinc/53/21/01/1068532101.db2.gz NIXLUCMEFOPKJK-IBGZPJMESA-N 0 0 459.782 4.961 20 0 JJADRN CCCCCC[C@](C)(CC)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC001463807403 1068532338 /nfs/dbraw/zinc/53/23/38/1068532338.db2.gz HCLVEYMAMDTKBH-VWLOTQADSA-N 0 0 459.034 4.921 20 0 JJADRN O=C(CCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001463810022 1068532721 /nfs/dbraw/zinc/53/27/21/1068532721.db2.gz KRCUEIYKBHVQLC-UHFFFAOYSA-N 0 0 458.524 4.892 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c1C ZINC001463810666 1068532944 /nfs/dbraw/zinc/53/29/44/1068532944.db2.gz QSHFSKICSYCBRN-DEOSSOPVSA-N 0 0 450.645 4.640 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)s1 ZINC001463809135 1068532961 /nfs/dbraw/zinc/53/29/61/1068532961.db2.gz LIGOKIOPLJWCJB-UHFFFAOYSA-N 0 0 459.515 4.679 20 0 JJADRN CCOc1ccc([C@H](CNC(=O)c2csc(NC)n2)c2c[nH]c3ccccc32)cc1OC ZINC001463813097 1068534103 /nfs/dbraw/zinc/53/41/03/1068534103.db2.gz SWQUPUGNTZRSOG-KRWDZBQOSA-N 0 0 450.564 4.635 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC001463819633 1068535061 /nfs/dbraw/zinc/53/50/61/1068535061.db2.gz MXZABFQFYBRNOK-UHFFFAOYSA-N 0 0 453.333 4.606 20 0 JJADRN CN(CCOc1cccc(Cl)c1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001463822633 1068535662 /nfs/dbraw/zinc/53/56/62/1068535662.db2.gz IUZVSXNWZZWVFV-UHFFFAOYSA-N 0 0 458.986 4.713 20 0 JJADRN Cc1ccc(N(CCC(=O)NCc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001463820404 1068535825 /nfs/dbraw/zinc/53/58/25/1068535825.db2.gz IQTSBKJBZZPBDU-UHFFFAOYSA-N 0 0 456.995 4.859 20 0 JJADRN CCCOc1cccnc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463825419 1068537217 /nfs/dbraw/zinc/53/72/17/1068537217.db2.gz FTAYSTXMFXZETI-UHFFFAOYSA-N 0 0 459.955 4.885 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC001546142039 1068538733 /nfs/dbraw/zinc/53/87/33/1068538733.db2.gz BOBAZUUMSRRTPL-IBGZPJMESA-N 0 0 481.410 4.610 20 0 JJADRN O=S(=O)(Cc1ccc2ccccc2c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001463828903 1068539430 /nfs/dbraw/zinc/53/94/30/1068539430.db2.gz XOEUGOPQJYYXTK-NRFANRHFSA-N 0 0 451.466 4.642 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC001463829448 1068539921 /nfs/dbraw/zinc/53/99/21/1068539921.db2.gz VDVZPKZWGFXBDD-IBGZPJMESA-N 0 0 453.482 4.798 20 0 JJADRN O=S(=O)(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)c1ccnn1CC1CCC1 ZINC001463829444 1068539942 /nfs/dbraw/zinc/53/99/42/1068539942.db2.gz IROFSKHPVJPABB-QFIPXVFZSA-N 0 0 459.999 4.573 20 0 JJADRN Cc1c(Br)ccc2c1N(S(=O)(=O)Cc1ccccc1Br)CCC2 ZINC001463832994 1068540699 /nfs/dbraw/zinc/54/06/99/1068540699.db2.gz FBHWUTMBLTUETB-UHFFFAOYSA-N 0 0 459.203 4.803 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC001463836518 1068542511 /nfs/dbraw/zinc/54/25/11/1068542511.db2.gz JUGIMVIZWGKIFV-MRXNPFEDSA-N 0 0 450.992 4.710 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)CCOCC1 ZINC001546142132 1068542910 /nfs/dbraw/zinc/54/29/10/1068542910.db2.gz DHVWNMUIHMFKPI-NRFANRHFSA-N 0 0 473.662 4.756 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2csc(Br)c2)CCOCC1 ZINC001546142123 1068542921 /nfs/dbraw/zinc/54/29/21/1068542921.db2.gz CYBKVTZEPQKEHF-QGZVFWFLSA-N 0 0 483.476 4.839 20 0 JJADRN CCC[C@H](O)CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463841595 1068544716 /nfs/dbraw/zinc/54/47/16/1068544716.db2.gz CTRZXUPNKMSVBL-INIZCTEOSA-N 0 0 458.552 4.600 20 0 JJADRN O=C(c1ccc(I)cc1F)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC001463843142 1068545457 /nfs/dbraw/zinc/54/54/57/1068545457.db2.gz JKCXABPBTIDUBY-CQSZACIVSA-N 0 0 459.686 4.767 20 0 JJADRN Cc1cc(NC(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)ccc1N(C)C ZINC001463844634 1068545743 /nfs/dbraw/zinc/54/57/43/1068545743.db2.gz REKGBSPGSBUQGM-UHFFFAOYSA-N 0 0 456.340 4.842 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCN(Cc4ccncc4)CC3)CCCCC2)c(Br)c1 ZINC001463848741 1068546968 /nfs/dbraw/zinc/54/69/68/1068546968.db2.gz UQFYTRJODIMJAZ-UHFFFAOYSA-N 0 0 456.428 4.699 20 0 JJADRN COc1ccc(NC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)cc1Cc1ccccc1 ZINC001463848874 1068547129 /nfs/dbraw/zinc/54/71/29/1068547129.db2.gz WWNDZXVWLWADON-RLWLMLJZSA-N 0 0 454.567 4.639 20 0 JJADRN Nc1c(I)cccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001463849930 1068547507 /nfs/dbraw/zinc/54/75/07/1068547507.db2.gz XPGXWZFVFPWAGY-UHFFFAOYSA-N 0 0 450.276 4.557 20 0 JJADRN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001463849981 1068547730 /nfs/dbraw/zinc/54/77/30/1068547730.db2.gz MQHKFEISPIOHAR-UHFFFAOYSA-N 0 0 456.325 4.968 20 0 JJADRN O=S(=O)(C[C@H]1CCC2(CCOCC2)CO1)N(CCCCc1ccccc1)c1ccccc1 ZINC001463852892 1068548169 /nfs/dbraw/zinc/54/81/69/1068548169.db2.gz ALSCCMGLWGCAGX-RUZDIDTESA-N 0 0 457.636 4.822 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC001463860517 1068549364 /nfs/dbraw/zinc/54/93/64/1068549364.db2.gz IMKKTHRLOOCCDF-VWLOTQADSA-N 0 0 450.966 4.819 20 0 JJADRN C[C@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1nc2ccccc2n1C(F)F ZINC001463862426 1068549681 /nfs/dbraw/zinc/54/96/81/1068549681.db2.gz QIZOATIDNNNPEG-KXBFYZLASA-N 0 0 456.493 4.656 20 0 JJADRN CCCCCN(CC(=O)N1CCO[C@@H](C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463860448 1068549772 /nfs/dbraw/zinc/54/97/72/1068549772.db2.gz SVJOXFIGIRMVJV-FQEVSTJZSA-N 0 0 450.579 4.675 20 0 JJADRN CC(C)[C@@H](C(=O)N(C)Cc1ccncc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463862081 1068549883 /nfs/dbraw/zinc/54/98/83/1068549883.db2.gz HHBAWSBZGQQDFI-SANMLTNESA-N 0 0 457.574 4.946 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463864748 1068550205 /nfs/dbraw/zinc/55/02/05/1068550205.db2.gz AREYIKXYOPXMLP-QFBILLFUSA-N 0 0 451.972 4.530 20 0 JJADRN O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001463863841 1068550445 /nfs/dbraw/zinc/55/04/45/1068550445.db2.gz RXIWDAGEDHEZGG-PLNGDYQASA-N 0 0 458.402 4.787 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1 ZINC001463866857 1068550752 /nfs/dbraw/zinc/55/07/52/1068550752.db2.gz OUHFBWUYEIWLPJ-UHFFFAOYSA-N 0 0 452.576 4.821 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463868975 1068551405 /nfs/dbraw/zinc/55/14/05/1068551405.db2.gz XDRJUBRIBANRFP-QAPCUYQASA-N 0 0 455.407 4.666 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463868973 1068551489 /nfs/dbraw/zinc/55/14/89/1068551489.db2.gz XDRJUBRIBANRFP-MAUKXSAKSA-N 0 0 455.407 4.666 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001463871456 1068551832 /nfs/dbraw/zinc/55/18/32/1068551832.db2.gz IJYXQNWDSOSFEN-FCHUYYIVSA-N 0 0 476.614 4.632 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001463871466 1068551911 /nfs/dbraw/zinc/55/19/11/1068551911.db2.gz IMMQXTUOWBAUNO-JCGIZDLHSA-N 0 0 450.988 4.558 20 0 JJADRN COc1ccc([C@@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001463873753 1068552918 /nfs/dbraw/zinc/55/29/18/1068552918.db2.gz TUXIYBNZAXPVDO-OFVILXPXSA-N 0 0 453.604 4.668 20 0 JJADRN COc1ccc([C@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC001463874263 1068553033 /nfs/dbraw/zinc/55/30/33/1068553033.db2.gz WMORGNLPCLYWBT-UZUQRXQVSA-N 0 0 459.633 4.729 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001463877264 1068553971 /nfs/dbraw/zinc/55/39/71/1068553971.db2.gz UGKRDMWYCUDOMA-DVECYGJZSA-N 0 0 455.601 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccc(N4CCCC4)nc3)cs2)CC1 ZINC001463883175 1068554976 /nfs/dbraw/zinc/55/49/76/1068554976.db2.gz IKSLXLBNMYFKSI-UHFFFAOYSA-N 0 0 457.600 4.505 20 0 JJADRN COc1cc(CS(=O)(=O)NC2(c3ccc(Br)c(C)c3)CCCCC2)sn1 ZINC001463894299 1068557686 /nfs/dbraw/zinc/55/76/86/1068557686.db2.gz OMCPVXOUSCVJCS-UHFFFAOYSA-N 0 0 459.431 4.502 20 0 JJADRN CC[C@H](C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1)c1ccc(F)cc1 ZINC001463896427 1068558666 /nfs/dbraw/zinc/55/86/66/1068558666.db2.gz JKJTZFKWTWXWSU-QHCPKHFHSA-N 0 0 453.583 4.796 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001463897265 1068558894 /nfs/dbraw/zinc/55/88/94/1068558894.db2.gz MYMGZLXWXGNJQB-GFCCVEGCSA-N 0 0 455.759 4.579 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001463902814 1068560709 /nfs/dbraw/zinc/56/07/09/1068560709.db2.gz IPHWEUUDROJNRL-UHFFFAOYSA-N 0 0 459.255 4.761 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c1Br ZINC001463906545 1068561230 /nfs/dbraw/zinc/56/12/30/1068561230.db2.gz LJYLJEPTGFTRMJ-AWEZNQCLSA-N 0 0 450.370 4.801 20 0 JJADRN COc1ccccc1[C@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)c1nccn1C ZINC001463908483 1068561536 /nfs/dbraw/zinc/56/15/36/1068561536.db2.gz IRUUHLDVRHYFRY-WPNIOXTASA-N 0 0 451.395 4.803 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(OC(F)(F)F)c1 ZINC001463907009 1068561641 /nfs/dbraw/zinc/56/16/41/1068561641.db2.gz SXMISBFGTNNEJU-INIZCTEOSA-N 0 0 450.360 4.974 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001463911671 1068562895 /nfs/dbraw/zinc/56/28/95/1068562895.db2.gz MJQGPCOZDGWNSQ-KRWDZBQOSA-N 0 0 451.876 4.951 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001463911674 1068563057 /nfs/dbraw/zinc/56/30/57/1068563057.db2.gz MJQGPCOZDGWNSQ-QGZVFWFLSA-N 0 0 451.876 4.951 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1C ZINC001463913722 1068563453 /nfs/dbraw/zinc/56/34/53/1068563453.db2.gz VZEBQKJIUIGSAA-OAHLLOKOSA-N 0 0 452.521 4.930 20 0 JJADRN CC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001463914021 1068563604 /nfs/dbraw/zinc/56/36/04/1068563604.db2.gz NVTOONSIGZAIFI-NRFANRHFSA-N 0 0 453.583 4.680 20 0 JJADRN COC(=O)CCc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC001463914764 1068564346 /nfs/dbraw/zinc/56/43/46/1068564346.db2.gz CNLPWUDZLXSGFP-MHZLTWQESA-N 0 0 459.542 4.597 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001463923750 1068566592 /nfs/dbraw/zinc/56/65/92/1068566592.db2.gz IDMPWVRPMRCPMQ-ZEQKJWHPSA-N 0 0 455.558 4.773 20 0 JJADRN O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463924981 1068567061 /nfs/dbraw/zinc/56/70/61/1068567061.db2.gz MCNCJMWYMDTOPH-ROUUACIJSA-N 0 0 455.462 4.955 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCN1C(=O)OC(C)(C)C ZINC001463925448 1068567069 /nfs/dbraw/zinc/56/70/69/1068567069.db2.gz BMWPEVNJSGPKEP-IAGOWNOFSA-N 0 0 456.543 4.575 20 0 JJADRN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccncc1NC(=O)C(F)(F)F ZINC001463924713 1068567238 /nfs/dbraw/zinc/56/72/38/1068567238.db2.gz LBYUTWJJGGCZNB-GOSISDBHSA-N 0 0 452.436 4.626 20 0 JJADRN COCCc1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)cc1 ZINC001463926173 1068567800 /nfs/dbraw/zinc/56/78/00/1068567800.db2.gz RFKONFJJZVLQNZ-UHFFFAOYSA-N 0 0 452.414 4.776 20 0 JJADRN COc1ccc([C@H](CNC(=O)Cn2cc(C)c(C(F)(F)F)n2)c2c[nH]c3ccccc32)cc1 ZINC001463928353 1068568065 /nfs/dbraw/zinc/56/80/65/1068568065.db2.gz AEMMXEQMGPTDFA-IBGZPJMESA-N 0 0 456.468 4.649 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001463928388 1068568126 /nfs/dbraw/zinc/56/81/26/1068568126.db2.gz ATQOUEPRMDXELO-LJQANCHMSA-N 0 0 459.550 4.810 20 0 JJADRN COc1ccc([C@@H](CNC(=O)[C@H](C)N2CSCCSC2)c2c[nH]c3ccccc32)cc1 ZINC001463929487 1068568169 /nfs/dbraw/zinc/56/81/69/1068568169.db2.gz GAVVMTVXNWLRAO-LAUBAEHRSA-N 0 0 455.649 4.510 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2S(=O)(=O)Cc1ccc(Br)cc1F ZINC001463930446 1068568542 /nfs/dbraw/zinc/56/85/42/1068568542.db2.gz OLWKQYXRYJVXNP-INIZCTEOSA-N 0 0 456.377 4.762 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC001546142769 1068568552 /nfs/dbraw/zinc/56/85/52/1068568552.db2.gz QOHDHXVHDMWFAA-KRWDZBQOSA-N 0 0 460.644 4.738 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001463932948 1068569585 /nfs/dbraw/zinc/56/95/85/1068569585.db2.gz YDHQRYMAJGAAML-UHFFFAOYSA-N 0 0 459.033 4.890 20 0 JJADRN CC(C)(C(=O)NCc1ccnc(N2CCCC2)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001463933458 1068569635 /nfs/dbraw/zinc/56/96/35/1068569635.db2.gz TUTYDZMTYKWYHZ-SANMLTNESA-N 0 0 459.590 4.637 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001463937951 1068570480 /nfs/dbraw/zinc/57/04/80/1068570480.db2.gz XRNOIEVIXVHULI-IBGZPJMESA-N 0 0 450.564 4.980 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)C2CCC(C(C)(C)C)CC2)c(C)c1C ZINC001463939114 1068571055 /nfs/dbraw/zinc/57/10/55/1068571055.db2.gz XPMGKWQZWKUUBH-UHFFFAOYSA-N 0 0 450.689 4.960 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(-n2cccc2)cc1 ZINC001463947364 1068572231 /nfs/dbraw/zinc/57/22/31/1068572231.db2.gz DLGFRPLYWUHPOH-HKWRFOASSA-N 0 0 451.935 4.597 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001463946092 1068572242 /nfs/dbraw/zinc/57/22/42/1068572242.db2.gz BHGJJHNEUXMGAQ-KWWDRUTHSA-N 0 0 458.942 4.825 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)N1CCN(c3ccccc3Cl)CC1)N2C(=O)OC(C)(C)C ZINC001463947444 1068572310 /nfs/dbraw/zinc/57/23/10/1068572310.db2.gz FIMGPPOOZGJRBJ-QFIPXVFZSA-N 0 0 455.986 4.663 20 0 JJADRN C[C@@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463952163 1068573204 /nfs/dbraw/zinc/57/32/04/1068573204.db2.gz SGFVORQXLNYVES-SFHVURJKSA-N 0 0 450.023 4.662 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ncc(Br)s1 ZINC001463952569 1068573732 /nfs/dbraw/zinc/57/37/32/1068573732.db2.gz FGPVGGIZDRINSI-UHFFFAOYSA-N 0 0 451.173 4.703 20 0 JJADRN O=C(CCCC(=O)c1ccccc1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC001463953234 1068573836 /nfs/dbraw/zinc/57/38/36/1068573836.db2.gz RQXKGWLMRTWCCL-HMMYKYKNSA-N 0 0 456.951 4.546 20 0 JJADRN CCOc1cc(NC(=O)c2ccc3c(c2)CCN3C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463953618 1068573882 /nfs/dbraw/zinc/57/38/82/1068573882.db2.gz AXNQHAYWYVSXPX-UHFFFAOYSA-N 0 0 459.546 4.981 20 0 JJADRN CC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(OC)cc1 ZINC001463954601 1068574274 /nfs/dbraw/zinc/57/42/74/1068574274.db2.gz WIISYPBBTBMLLF-HZQOKBKYSA-N 0 0 458.967 4.695 20 0 JJADRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001463956856 1068575499 /nfs/dbraw/zinc/57/54/99/1068575499.db2.gz WCFDZLYHRQWYDV-UHFFFAOYSA-N 0 0 458.518 4.794 20 0 JJADRN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C[C@H]1C(=O)OC(C)(C)C ZINC001463962923 1068575856 /nfs/dbraw/zinc/57/58/56/1068575856.db2.gz STMQVWGCSBQHPT-MAUKXSAKSA-N 0 0 458.020 4.507 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CCCC1 ZINC001546143076 1068577282 /nfs/dbraw/zinc/57/72/82/1068577282.db2.gz XVNHOHZTTPLWSQ-WOJBJXKFSA-N 0 0 461.651 4.588 20 0 JJADRN O=C(CC1CCN(CC(F)F)CC1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC001463967246 1068577294 /nfs/dbraw/zinc/57/72/94/1068577294.db2.gz WRHHULSZPBTCNM-UHFFFAOYSA-N 0 0 451.949 4.631 20 0 JJADRN CC(C)n1cccc1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001463968831 1068577718 /nfs/dbraw/zinc/57/77/18/1068577718.db2.gz CVQPHNJRHDQCLN-LFIBNONCSA-N 0 0 452.363 4.842 20 0 JJADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCOc3ccc(C(C)C)cc3)C2=O)cc1 ZINC001463968782 1068577741 /nfs/dbraw/zinc/57/77/41/1068577741.db2.gz CNNCXOPUACEMEC-CJLVFECKSA-N 0 0 452.576 4.740 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463971322 1068578203 /nfs/dbraw/zinc/57/82/03/1068578203.db2.gz PSBJBJJGCDLZAT-BPQIPLTHSA-N 0 0 453.645 4.664 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 ZINC001463970184 1068578271 /nfs/dbraw/zinc/57/82/71/1068578271.db2.gz IRIAGSYTXDQFKI-UHFFFAOYSA-N 0 0 453.587 4.612 20 0 JJADRN CC(C)n1cccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001463970661 1068578296 /nfs/dbraw/zinc/57/82/96/1068578296.db2.gz MKXJBVZOWXDXGZ-YVLHZVERSA-N 0 0 452.363 4.842 20 0 JJADRN CC(C)n1cc(OS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)cn1 ZINC001463971707 1068578692 /nfs/dbraw/zinc/57/86/92/1068578692.db2.gz IRYWTRVZEDZJGN-UHFFFAOYSA-N 0 0 455.305 4.926 20 0 JJADRN Cc1ccc(-c2c[nH]cc2C(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)s1 ZINC001463971618 1068578716 /nfs/dbraw/zinc/57/87/16/1068578716.db2.gz SIWTZFUBRPHMFA-VXLYETTFSA-N 0 0 455.536 4.657 20 0 JJADRN CC(C)c1[nH]ccc1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001463972402 1068578763 /nfs/dbraw/zinc/57/87/63/1068578763.db2.gz XJURMYJCUIHNBZ-GDNBJRDFSA-N 0 0 452.363 4.911 20 0 JJADRN CCOc1cc(CN(C)C(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)ccc1OC(F)F ZINC001463973663 1068579180 /nfs/dbraw/zinc/57/91/80/1068579180.db2.gz CCCWZGKTHLPGHV-LJQANCHMSA-N 0 0 450.526 4.804 20 0 JJADRN COC(=O)c1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2-c2ccccc21 ZINC001463977404 1068580351 /nfs/dbraw/zinc/58/03/51/1068580351.db2.gz RDSIHACMSMOWPO-UHFFFAOYSA-N 0 0 458.333 4.612 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC001463976759 1068580377 /nfs/dbraw/zinc/58/03/77/1068580377.db2.gz ZQUBBPKXWOILJN-QGZVFWFLSA-N 0 0 452.045 4.695 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)OCc2cccc(Cl)c2)C1 ZINC001463980715 1068580891 /nfs/dbraw/zinc/58/08/91/1068580891.db2.gz YGXGLSXEDYHHBG-HSALFYBXSA-N 0 0 452.979 4.903 20 0 JJADRN CCc1csc(CC2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC3CC3)CC2)n1 ZINC001463979846 1068580906 /nfs/dbraw/zinc/58/09/06/1068580906.db2.gz VLONMTMTKZUHQY-UHFFFAOYSA-N 0 0 455.045 4.791 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463980691 1068580996 /nfs/dbraw/zinc/58/09/96/1068580996.db2.gz YAQYVAJBRUDSBY-UHFFFAOYSA-N 0 0 454.514 4.545 20 0 JJADRN O=C(NCCOCC(F)(F)F)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001463983175 1068581498 /nfs/dbraw/zinc/58/14/98/1068581498.db2.gz JIRPIENCWQLNKN-UHFFFAOYSA-N 0 0 453.258 4.973 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463997795 1068583576 /nfs/dbraw/zinc/58/35/76/1068583576.db2.gz LHKOIWVYNGDGME-AUSIDOKSSA-N 0 0 453.583 4.602 20 0 JJADRN COc1cc(CNC(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 ZINC001463996689 1068583782 /nfs/dbraw/zinc/58/37/82/1068583782.db2.gz PMVCPHQGTYEXOQ-XMMPIXPASA-N 0 0 458.558 4.560 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H](O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1 ZINC001464000765 1068585094 /nfs/dbraw/zinc/58/50/94/1068585094.db2.gz XINHWAJDLBGJAN-HSZRJFAPSA-N 0 0 459.464 4.985 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCSc3ccccc3)c2)cc1F ZINC001464003602 1068585525 /nfs/dbraw/zinc/58/55/25/1068585525.db2.gz ZZJZIGGGODHNHF-UHFFFAOYSA-N 0 0 458.580 4.847 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001464004546 1068585953 /nfs/dbraw/zinc/58/59/53/1068585953.db2.gz XFFZAODFRCRASH-WFASDCNBSA-N 0 0 459.033 4.929 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)ccc1Br ZINC001464004699 1068586730 /nfs/dbraw/zinc/58/67/30/1068586730.db2.gz DDTRHUHTAMJBEU-LBPRGKRZSA-N 0 0 456.789 4.656 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cc12 ZINC001464006462 1068587039 /nfs/dbraw/zinc/58/70/39/1068587039.db2.gz MAFUIPAGMJFIHJ-NEPJUHHUSA-N 0 0 453.395 4.588 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCCC[C@H]3CNC(=O)Nc3ccccc3)s2)cc1 ZINC001464007520 1068587189 /nfs/dbraw/zinc/58/71/89/1068587189.db2.gz NJUAEKQBVZMRGS-IBGZPJMESA-N 0 0 450.564 4.635 20 0 JJADRN CC(C)CN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)C1CC1 ZINC001464008346 1068587673 /nfs/dbraw/zinc/58/76/73/1068587673.db2.gz SKMUFRDIKIUPRV-UHFFFAOYSA-N 0 0 451.386 4.511 20 0 JJADRN O=C(NCc1cccnc1N1CCOCC1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC001464007997 1068587734 /nfs/dbraw/zinc/58/77/34/1068587734.db2.gz ZKMOELDVAOXFIW-UHFFFAOYSA-N 0 0 457.958 4.792 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2c[nH]c3c2cccc3Br)CCc2ccc(Cl)cc21 ZINC001464010009 1068588211 /nfs/dbraw/zinc/58/82/11/1068588211.db2.gz TUXHZKYIIJZBGI-LBPRGKRZSA-N 0 0 453.789 4.934 20 0 JJADRN O=C(c1ccc2ncc(I)n2c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001464017244 1068590464 /nfs/dbraw/zinc/59/04/64/1068590464.db2.gz QFQIYXHXVBGJKD-OAHLLOKOSA-N 0 0 451.695 4.570 20 0 JJADRN CN(CC1CCCCC1)C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001464021529 1068591008 /nfs/dbraw/zinc/59/10/08/1068591008.db2.gz JROAUIROGBWCSZ-QHCPKHFHSA-N 0 0 457.412 4.888 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001464023174 1068591608 /nfs/dbraw/zinc/59/16/08/1068591608.db2.gz FMZMMFRNCWLEJR-IRXDYDNUSA-N 0 0 456.029 4.557 20 0 JJADRN O=S(=O)(/C=C\c1ccccc1Cl)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001464023097 1068591829 /nfs/dbraw/zinc/59/18/29/1068591829.db2.gz LZVGLLJYHKNRBE-NTMALXAHSA-N 0 0 451.773 4.943 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Br)cc1 ZINC001464025504 1068592149 /nfs/dbraw/zinc/59/21/49/1068592149.db2.gz LXKKYVBUWWQDGE-GOSISDBHSA-N 0 0 456.377 4.524 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC001464027035 1068592266 /nfs/dbraw/zinc/59/22/66/1068592266.db2.gz OCTGBSWDBXDMEP-HIFRSBDPSA-N 0 0 476.542 4.618 20 0 JJADRN Cn1cc(-c2ccc3c(n2)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC3)cn1 ZINC001464028961 1068592797 /nfs/dbraw/zinc/59/27/97/1068592797.db2.gz KQGTYOLLTQUAAC-UHFFFAOYSA-N 0 0 457.770 4.584 20 0 JJADRN CSc1ccc(CCC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC001464029535 1068592826 /nfs/dbraw/zinc/59/28/26/1068592826.db2.gz VZRCQMJTBIBGNA-IBGZPJMESA-N 0 0 450.608 4.605 20 0 JJADRN CSc1ccc(CCC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC001464029536 1068593380 /nfs/dbraw/zinc/59/33/80/1068593380.db2.gz VZRCQMJTBIBGNA-LJQANCHMSA-N 0 0 450.608 4.605 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CCCN(C(=O)c3ccccc3)CC2)ccc1Br ZINC001464029410 1068593425 /nfs/dbraw/zinc/59/34/25/1068593425.db2.gz RUUQNUWGHMJAGD-UHFFFAOYSA-N 0 0 457.412 4.701 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCCN1C(=O)OC(C)(C)C ZINC001464031745 1068593948 /nfs/dbraw/zinc/59/39/48/1068593948.db2.gz JCHZGZQIFYXYOA-DEOSSOPVSA-N 0 0 456.612 4.824 20 0 JJADRN O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001464031634 1068594072 /nfs/dbraw/zinc/59/40/72/1068594072.db2.gz BZXFZJAQAHMMMU-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001464031806 1068594083 /nfs/dbraw/zinc/59/40/83/1068594083.db2.gz GTFZIRYMBQXCTJ-FCHUYYIVSA-N 0 0 457.615 4.905 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC001464032705 1068594697 /nfs/dbraw/zinc/59/46/97/1068594697.db2.gz AEWRJJYXZFNEFD-UHFFFAOYSA-N 0 0 459.793 4.681 20 0 JJADRN COC[C@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)c1cccc(OC)c1 ZINC001464035004 1068595113 /nfs/dbraw/zinc/59/51/13/1068595113.db2.gz ONAFZHBWMWUXJI-DEOSSOPVSA-N 0 0 455.576 4.557 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@H](C)Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC001464039870 1068596989 /nfs/dbraw/zinc/59/69/89/1068596989.db2.gz WVJDLGRWJBJBMP-MOPGFXCFSA-N 0 0 452.986 4.782 20 0 JJADRN O=C(c1scc(Br)c1Br)N1CCC([C@H](O)c2ccccc2)CC1 ZINC001464043307 1068598067 /nfs/dbraw/zinc/59/80/67/1068598067.db2.gz OFTRLGFLVKRBHT-OAHLLOKOSA-N 0 0 459.203 4.859 20 0 JJADRN COCCN(Cc1ccc(C)cc1C)C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC001464045957 1068599047 /nfs/dbraw/zinc/59/90/47/1068599047.db2.gz MYXJVWXEAHMTMM-UHFFFAOYSA-N 0 0 452.624 4.775 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001464045489 1068599128 /nfs/dbraw/zinc/59/91/28/1068599128.db2.gz FSAXKZDLPYQCSO-FQEVSTJZSA-N 0 0 454.571 4.848 20 0 JJADRN C[C@](O)(C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1)c1ccc(F)cc1 ZINC001464046948 1068599284 /nfs/dbraw/zinc/59/92/84/1068599284.db2.gz LNADYUYWGGZKRA-XMMPIXPASA-N 0 0 458.986 4.760 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001464048090 1068599649 /nfs/dbraw/zinc/59/96/49/1068599649.db2.gz VMWUOWZMIAHXBF-PXLXIMEGSA-N 0 0 453.464 4.920 20 0 JJADRN O=S(=O)(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC001464048456 1068599803 /nfs/dbraw/zinc/59/98/03/1068599803.db2.gz VDZLLUXOGHMJKD-SFHVURJKSA-N 0 0 455.926 4.687 20 0 JJADRN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC001464048270 1068599849 /nfs/dbraw/zinc/59/98/49/1068599849.db2.gz WJGIVLGUVPTTFP-GOSISDBHSA-N 0 0 458.440 4.774 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NS(=O)(=O)c1ccc2ccccc2c1Br ZINC001464050737 1068600365 /nfs/dbraw/zinc/60/03/65/1068600365.db2.gz OFEMPDRSQQHBTH-LBPRGKRZSA-N 0 0 456.308 4.626 20 0 JJADRN O=S(=O)(NC[C@H]1CCN(c2ccccc2Cl)C1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001464050285 1068600479 /nfs/dbraw/zinc/60/04/79/1068600479.db2.gz LKWSFXPGGJTJBN-GFCCVEGCSA-N 0 0 453.313 4.817 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1Br)c1cccc(Cl)c1 ZINC001464052228 1068600935 /nfs/dbraw/zinc/60/09/35/1068600935.db2.gz GJRISAQJEQUJKP-KRWDZBQOSA-N 0 0 453.764 4.985 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)cc1 ZINC001464052337 1068601001 /nfs/dbraw/zinc/60/10/01/1068601001.db2.gz HFNPTZOAVBGFRO-ZDUSSCGKSA-N 0 0 457.324 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1Br)c1cccc(Cl)c1 ZINC001464052238 1068601027 /nfs/dbraw/zinc/60/10/27/1068601027.db2.gz GJRISAQJEQUJKP-QGZVFWFLSA-N 0 0 453.764 4.985 20 0 JJADRN CCN(Cc1cccc(Br)c1)C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464065607 1068603374 /nfs/dbraw/zinc/60/33/74/1068603374.db2.gz JZDSNBABSZDHSA-PGRDOPGGSA-N 0 0 451.405 4.977 20 0 JJADRN CCN(Cc1ccccc1Cl)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC001464066659 1068603475 /nfs/dbraw/zinc/60/34/75/1068603475.db2.gz LGEMFKJHTUZKPS-UHFFFAOYSA-N 0 0 455.026 4.604 20 0 JJADRN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(C)c1 ZINC001464070802 1068604898 /nfs/dbraw/zinc/60/48/98/1068604898.db2.gz BWEOCBAJJGBPHK-OAQYLSRUSA-N 0 0 450.604 4.924 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)C(C)C)c2)cc1 ZINC001464073027 1068605527 /nfs/dbraw/zinc/60/55/27/1068605527.db2.gz YBKYBNLTMWNNBX-XMMPIXPASA-N 0 0 452.576 4.666 20 0 JJADRN C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(NC(=O)C2CC2)cc1 ZINC001464072820 1068605629 /nfs/dbraw/zinc/60/56/29/1068605629.db2.gz XXLPWMZCIVCCSC-MRVPVSSYSA-N 0 0 459.237 4.845 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)C(C)C)c2)cc1 ZINC001464073023 1068605665 /nfs/dbraw/zinc/60/56/65/1068605665.db2.gz YBKYBNLTMWNNBX-DEOSSOPVSA-N 0 0 452.576 4.666 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 ZINC001464075483 1068606394 /nfs/dbraw/zinc/60/63/94/1068606394.db2.gz XMPOAIQPNYKHJO-UHFFFAOYSA-N 0 0 450.601 4.551 20 0 JJADRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001464075070 1068606479 /nfs/dbraw/zinc/60/64/79/1068606479.db2.gz SKADJUSZWPXMDD-ZDUSSCGKSA-N 0 0 457.518 4.949 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)C[C@@H]4C[C@@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077210 1068607648 /nfs/dbraw/zinc/60/76/48/1068607648.db2.gz WAJLQTIGJYKFQH-YADHBBJMSA-N 0 0 452.643 4.974 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(S(=O)(=O)C1=Cc3ccccc3CC1)CCC2 ZINC001464090125 1068611583 /nfs/dbraw/zinc/61/15/83/1068611583.db2.gz GTIOQOBMIBKOTN-UHFFFAOYSA-N 0 0 454.592 4.781 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001464091307 1068611660 /nfs/dbraw/zinc/61/16/60/1068611660.db2.gz LVFLJHABWJHNFF-RYUDHWBXSA-N 0 0 453.408 4.854 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(-c2ccccc2)cc1F ZINC001464096207 1068613451 /nfs/dbraw/zinc/61/34/51/1068613451.db2.gz KNNYLNKOWJQNEP-UHFFFAOYSA-N 0 0 453.322 4.717 20 0 JJADRN Cn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001464096537 1068614050 /nfs/dbraw/zinc/61/40/50/1068614050.db2.gz KMSVQDXFSOTTSK-HXUWFJFHSA-N 0 0 452.555 4.624 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CCC1 ZINC001546144387 1068614593 /nfs/dbraw/zinc/61/45/93/1068614593.db2.gz JXUYPAJNJHZCIK-GOSISDBHSA-N 0 0 483.604 4.648 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cc(C(F)(F)F)ccc1Br ZINC001464099405 1068614657 /nfs/dbraw/zinc/61/46/57/1068614657.db2.gz BTFPJCZCSDEVIQ-SMDDNHRTSA-N 0 0 454.695 4.956 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC001464105657 1068617319 /nfs/dbraw/zinc/61/73/19/1068617319.db2.gz PIJJMOBFTQEYSX-OAQYLSRUSA-N 0 0 454.979 4.741 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N(C)CC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001546144462 1068617331 /nfs/dbraw/zinc/61/73/31/1068617331.db2.gz LSKKWNPZBMSCKG-UHFFFAOYSA-N 0 0 453.631 4.762 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC001464105641 1068617488 /nfs/dbraw/zinc/61/74/88/1068617488.db2.gz PIJJMOBFTQEYSX-NRFANRHFSA-N 0 0 454.979 4.741 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464109193 1068618188 /nfs/dbraw/zinc/61/81/88/1068618188.db2.gz BDADRAOKSCHPEJ-GOSISDBHSA-N 0 0 454.876 4.501 20 0 JJADRN CC(C)Oc1ccc(NC(=O)c2cccn3c(I)cnc23)cc1Cl ZINC001464117835 1068620459 /nfs/dbraw/zinc/62/04/59/1068620459.db2.gz BBTPFRQSLXIZSS-UHFFFAOYSA-N 0 0 455.683 4.632 20 0 JJADRN C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001464118210 1068621104 /nfs/dbraw/zinc/62/11/04/1068621104.db2.gz YWUSTUVISUSCEI-OCCSQVGLSA-N 0 0 470.941 4.673 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C(C)C ZINC001464119489 1068621133 /nfs/dbraw/zinc/62/11/33/1068621133.db2.gz XAAVIJGOCGIGCE-OAQYLSRUSA-N 0 0 459.530 4.804 20 0 JJADRN CC(C)C[C@H](CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F)CC(=O)OC(C)(C)C ZINC001464118653 1068621254 /nfs/dbraw/zinc/62/12/54/1068621254.db2.gz JBQHBUMIGPEJQX-AWEZNQCLSA-N 0 0 458.983 4.700 20 0 JJADRN C[C@H]1c2ccccc2OCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001464122051 1068622417 /nfs/dbraw/zinc/62/24/17/1068622417.db2.gz IILRKIPBJDXSFY-ZDUSSCGKSA-N 0 0 454.495 4.973 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2)ccc1F ZINC001464124324 1068623615 /nfs/dbraw/zinc/62/36/15/1068623615.db2.gz RZQWDIMFQUCBOA-IBGZPJMESA-N 0 0 455.551 4.825 20 0 JJADRN CCN([C@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c2cccnc21 ZINC001464124609 1068623771 /nfs/dbraw/zinc/62/37/71/1068623771.db2.gz UDUGZJAIFSQSCS-OAHLLOKOSA-N 0 0 452.498 4.904 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001464128224 1068626088 /nfs/dbraw/zinc/62/60/88/1068626088.db2.gz JVOFSWYXOYRCLV-LHSJRXKWSA-N 0 0 455.393 4.672 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cc1Br ZINC001464129269 1068626572 /nfs/dbraw/zinc/62/65/72/1068626572.db2.gz PQCALHOMCPIEDN-AWEZNQCLSA-N 0 0 457.324 4.634 20 0 JJADRN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC001464130861 1068627096 /nfs/dbraw/zinc/62/70/96/1068627096.db2.gz YPDCCAQJYPPIOW-ZJSXRUAMSA-N 0 0 459.993 4.636 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cc1Br ZINC001464130450 1068627274 /nfs/dbraw/zinc/62/72/74/1068627274.db2.gz WHUOYXBZLQFPGB-YUNKPMOVSA-N 0 0 451.748 4.872 20 0 JJADRN O=S(=O)(Oc1cnc2c(F)cccc2c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464136121 1068629916 /nfs/dbraw/zinc/62/99/16/1068629916.db2.gz PBOXHBKXAUTTAA-UHFFFAOYSA-N 0 0 450.207 4.923 20 0 JJADRN CC(C)[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001464142992 1068632283 /nfs/dbraw/zinc/63/22/83/1068632283.db2.gz CUHZGRGGRAHNPH-DLBZAZTESA-N 0 0 455.420 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccc(-c4nnco4)cc3)cs2)CC1 ZINC001464142797 1068632413 /nfs/dbraw/zinc/63/24/13/1068632413.db2.gz OGXOAWSNWDBEJV-UHFFFAOYSA-N 0 0 455.540 4.560 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 ZINC001464147845 1068633884 /nfs/dbraw/zinc/63/38/84/1068633884.db2.gz INIZPXFKJVUZNK-NSHDSACASA-N 0 0 450.807 4.665 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001464150256 1068634426 /nfs/dbraw/zinc/63/44/26/1068634426.db2.gz NTDFKQKUCFLHMI-AWEZNQCLSA-N 0 0 452.292 4.647 20 0 JJADRN Cc1cc([C@@H]2CCN(S(=O)(=O)Cc3ccc(Br)cc3C)C2)c(O)cc1Cl ZINC001464151532 1068634487 /nfs/dbraw/zinc/63/44/87/1068634487.db2.gz QODSFDFDWAWWDW-CQSZACIVSA-N 0 0 458.805 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(-c3nnco3)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001464151282 1068634519 /nfs/dbraw/zinc/63/45/19/1068634519.db2.gz WDSRPKYVIBCVQL-UXHICEINSA-N 0 0 468.941 4.979 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)cc1 ZINC001464157039 1068636477 /nfs/dbraw/zinc/63/64/77/1068636477.db2.gz HIFSMXYYQDHACU-UHFFFAOYSA-N 0 0 454.995 4.808 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(Nc2nccs2)c1 ZINC001464157913 1068637073 /nfs/dbraw/zinc/63/70/73/1068637073.db2.gz HSNAKULWAKYCAF-UHFFFAOYSA-N 0 0 450.545 4.940 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC001464162379 1068638747 /nfs/dbraw/zinc/63/87/47/1068638747.db2.gz FKOUOSFOXDKGSI-RPBOFIJWSA-N 0 0 452.639 4.735 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163820 1068639575 /nfs/dbraw/zinc/63/95/75/1068639575.db2.gz CPAKFVYHFLPDDX-KBMIEXCESA-N 0 0 458.562 4.791 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@H](C(C)C)[C@@H](O)c3ccc(Cl)cc3)ccc2nc1Cl ZINC001464164143 1068639667 /nfs/dbraw/zinc/63/96/67/1068639667.db2.gz FUDCHUMCIBOVSU-UXHICEINSA-N 0 0 453.391 4.887 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001464166262 1068640303 /nfs/dbraw/zinc/64/03/03/1068640303.db2.gz MSZKWQBIQHWZHQ-MRXNPFEDSA-N 0 0 455.546 4.551 20 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ZINC001464179042 1068644808 /nfs/dbraw/zinc/64/48/08/1068644808.db2.gz FYDDXPQUJZFFCE-SANMLTNESA-N 0 0 456.583 4.930 20 0 JJADRN Cc1c(Br)csc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001464179440 1068644814 /nfs/dbraw/zinc/64/48/14/1068644814.db2.gz IOXWFJOMKBBFNV-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001464179170 1068644974 /nfs/dbraw/zinc/64/49/74/1068644974.db2.gz HQBNVJYHLIKRQA-QFIPXVFZSA-N 0 0 452.551 4.511 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](c1ccccc1)C1CCCCC1 ZINC001464182382 1068645572 /nfs/dbraw/zinc/64/55/72/1068645572.db2.gz VWWUZRCHGUUWTI-HXUWFJFHSA-N 0 0 455.407 4.710 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001464183505 1068646211 /nfs/dbraw/zinc/64/62/11/1068646211.db2.gz GDQJYHCDEJPUBC-LJQANCHMSA-N 0 0 459.468 4.642 20 0 JJADRN O=C(CCc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001464185200 1068647092 /nfs/dbraw/zinc/64/70/92/1068647092.db2.gz ZHVWYCCQMOAVLH-UHFFFAOYSA-N 0 0 459.365 4.821 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001464187171 1068647507 /nfs/dbraw/zinc/64/75/07/1068647507.db2.gz WCCVARZCPDPFOC-IBGZPJMESA-N 0 0 452.551 4.630 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1cccnc1Br ZINC001464185614 1068647595 /nfs/dbraw/zinc/64/75/95/1068647595.db2.gz AJOUGUMBRQNJPI-UHFFFAOYSA-N 0 0 459.171 4.571 20 0 JJADRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(Br)c(C=O)n1C ZINC001464185939 1068647617 /nfs/dbraw/zinc/64/76/17/1068647617.db2.gz FGUUYSKFVSUVLK-UHFFFAOYSA-N 0 0 455.312 4.805 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)c1cc(Br)ccc1Br ZINC001464187253 1068647626 /nfs/dbraw/zinc/64/76/26/1068647626.db2.gz WMUMRECKIGXUJJ-UHFFFAOYSA-N 0 0 451.162 4.690 20 0 JJADRN CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C/C(C)=C/c2ccccc2)CCCC1 ZINC001546144955 1068648357 /nfs/dbraw/zinc/64/83/57/1068648357.db2.gz YAXZMXIDFPOUSE-QMZMWQIVSA-N 0 0 456.656 4.690 20 0 JJADRN CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C/C(C)=C/c2ccccc2)CCCC1 ZINC001546144954 1068648369 /nfs/dbraw/zinc/64/83/69/1068648369.db2.gz YAXZMXIDFPOUSE-PTMWEUFISA-N 0 0 456.656 4.690 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC001464190317 1068648805 /nfs/dbraw/zinc/64/88/05/1068648805.db2.gz XKXOETWCMUHBSL-SFHVURJKSA-N 0 0 459.468 4.892 20 0 JJADRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001464189598 1068648860 /nfs/dbraw/zinc/64/88/60/1068648860.db2.gz TTZVZUUAVZNDIB-UHFFFAOYSA-N 0 0 453.502 4.954 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC001464189136 1068648953 /nfs/dbraw/zinc/64/89/53/1068648953.db2.gz QUICOCSEXBCZLG-LJQANCHMSA-N 0 0 456.543 4.507 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC001464191233 1068649557 /nfs/dbraw/zinc/64/95/57/1068649557.db2.gz ZFOXWMIRPCCKKL-UHFFFAOYSA-N 0 0 450.608 4.759 20 0 JJADRN C[C@H](CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC001464191489 1068650203 /nfs/dbraw/zinc/65/02/03/1068650203.db2.gz BMHXXXGFAXQCLT-SJORKVTESA-N 0 0 452.451 4.801 20 0 JJADRN C[C@@H](CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCN(c2ccccc2)CC1 ZINC001464192124 1068650866 /nfs/dbraw/zinc/65/08/66/1068650866.db2.gz CNSPWPYIVZPCRD-FQEVSTJZSA-N 0 0 451.655 4.928 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)NCc1ccccc1CC(F)(F)F ZINC001464193213 1068651048 /nfs/dbraw/zinc/65/10/48/1068651048.db2.gz CFVHRBUXSWWYGG-UHFFFAOYSA-N 0 0 456.711 4.827 20 0 JJADRN CCc1ccc(C2CCN(S(=O)(=O)c3ccc4c(c3)CC(Cl)(Cl)C4=O)CC2)cc1 ZINC001464194840 1068651465 /nfs/dbraw/zinc/65/14/65/1068651465.db2.gz NCIQADROENNQJE-UHFFFAOYSA-N 0 0 452.403 4.730 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1)c1ccns1 ZINC001464197526 1068652801 /nfs/dbraw/zinc/65/28/01/1068652801.db2.gz PSCHURPLBRISAW-LLVKDONJSA-N 0 0 457.346 4.877 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NCCNc2ncc(Cl)cc2Cl)c1F ZINC001464198853 1068652818 /nfs/dbraw/zinc/65/28/18/1068652818.db2.gz CTTWYIBHKBLSTQ-UHFFFAOYSA-N 0 0 451.123 4.531 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCc3c(cccc3C(F)(F)F)C2)c(F)cc1Br ZINC001464201607 1068654941 /nfs/dbraw/zinc/65/49/41/1068654941.db2.gz DAAAKQVNSQSFJK-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN COc1ccc(CN([C@@H](C)CCCO)S(=O)(=O)c2sc3ccccc3c2Cl)cc1 ZINC001464204182 1068655486 /nfs/dbraw/zinc/65/54/86/1068655486.db2.gz VAORCLIPTHPDKH-HNNXBMFYSA-N 0 0 454.013 4.915 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cc1Cl ZINC001464206740 1068657476 /nfs/dbraw/zinc/65/74/76/1068657476.db2.gz OFVOOKUTDQITKR-IBGZPJMESA-N 0 0 452.363 4.789 20 0 JJADRN C[C@@](O)(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc(F)cc1 ZINC001464207984 1068658003 /nfs/dbraw/zinc/65/80/03/1068658003.db2.gz SIOZOJRFOZPXHM-QPPBQGQZSA-N 0 0 458.986 4.664 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC001464208462 1068658694 /nfs/dbraw/zinc/65/86/94/1068658694.db2.gz CVAMODDYVCYQBA-LJQANCHMSA-N 0 0 459.631 4.696 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3c(Cl)cccc3C(F)(F)F)CC2)cc1F ZINC001464209578 1068659247 /nfs/dbraw/zinc/65/92/47/1068659247.db2.gz GFCJQMRGRZSLMB-UHFFFAOYSA-N 0 0 456.867 4.975 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001464210836 1068659269 /nfs/dbraw/zinc/65/92/69/1068659269.db2.gz ILRHRCAAXXJITP-UHFFFAOYSA-N 0 0 454.589 4.559 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001464209969 1068659354 /nfs/dbraw/zinc/65/93/54/1068659354.db2.gz DNWLKXCEQMRTRB-GASCZTMLSA-N 0 0 457.017 4.636 20 0 JJADRN Cc1[nH]c2ccc(F)cc2c1CCNS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001464217492 1068661116 /nfs/dbraw/zinc/66/11/16/1068661116.db2.gz JQKVCZTVONREFA-UHFFFAOYSA-N 0 0 459.768 4.861 20 0 JJADRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(OCc2ccccc2)ccc1O ZINC001464219837 1068662416 /nfs/dbraw/zinc/66/24/16/1068662416.db2.gz HLUNCZKVHBDYKN-UHFFFAOYSA-N 0 0 458.436 4.824 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(NC(=O)c4ccccc4)ccc3C)n[nH]2)c(OC)c1 ZINC001464219700 1068662457 /nfs/dbraw/zinc/66/24/57/1068662457.db2.gz FVNCKZIYVDHTQR-UHFFFAOYSA-N 0 0 456.502 4.907 20 0 JJADRN CN(C)C[C@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc(Cl)c(Cl)c1 ZINC001464221691 1068663650 /nfs/dbraw/zinc/66/36/50/1068663650.db2.gz YZHJWBQQWVVUIC-KRWDZBQOSA-N 0 0 458.798 4.776 20 0 JJADRN Cc1cccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1C(=O)N1CCCC1 ZINC001464222453 1068663685 /nfs/dbraw/zinc/66/36/85/1068663685.db2.gz FFODEGMGDVBMRF-UHFFFAOYSA-N 0 0 454.880 4.739 20 0 JJADRN Cn1ccnc1[C@@H](CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C(F)(F)F ZINC001464227353 1068665612 /nfs/dbraw/zinc/66/56/12/1068665612.db2.gz AGJKCFWMONPFQE-MJGOQNOKSA-N 0 0 459.447 4.503 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Oc2cnccn2)cc1)c1c(F)cccc1F ZINC001464228926 1068666513 /nfs/dbraw/zinc/66/65/13/1068666513.db2.gz HUCYVJSVFSLUCH-FQEVSTJZSA-N 0 0 456.449 4.752 20 0 JJADRN O=C(CCc1cccc(C(F)(F)F)c1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001464233644 1068667796 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UDVGNLKLYJCMHI-UHFFFAOYSA-N 0 0 450.358 4.643 20 0 JJADRN Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001464508493 1068768894 /nfs/dbraw/zinc/76/88/94/1068768894.db2.gz FFKCBZQAINTSPT-RTBURBONSA-N 0 0 468.566 4.859 20 0 JJADRN CC(=O)Nc1ccc(Cl)cc1NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001464512387 1068769822 /nfs/dbraw/zinc/76/98/22/1068769822.db2.gz MPVKZVMGHJTTQE-OAQYLSRUSA-N 0 0 451.910 4.504 20 0 JJADRN CCOc1ccc2c(c1)CN(C(=O)Cc1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CC2 ZINC001464516081 1068770600 /nfs/dbraw/zinc/77/06/00/1068770600.db2.gz UGMSJHASEMQVSJ-UHFFFAOYSA-N 0 0 450.579 4.506 20 0 JJADRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001464516276 1068770826 /nfs/dbraw/zinc/77/08/26/1068770826.db2.gz ZRXQDOGTSXPGRU-GOSISDBHSA-N 0 0 450.576 4.567 20 0 JJADRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC001464523548 1068772280 /nfs/dbraw/zinc/77/22/80/1068772280.db2.gz WBTRKEYRKBMRLH-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN CCC(F)(F)C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 ZINC001464526339 1068772902 /nfs/dbraw/zinc/77/29/02/1068772902.db2.gz MODMAENWKVTOIU-UHFFFAOYSA-N 0 0 458.246 4.836 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)OC(C)(C)C3)c2)cc1 ZINC001464528047 1068773363 /nfs/dbraw/zinc/77/33/63/1068773363.db2.gz RDWAMSPGDDDBJV-IBGZPJMESA-N 0 0 458.624 4.778 20 0 JJADRN CCCN(C(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)c1ccccc1OC ZINC001464530050 1068773435 /nfs/dbraw/zinc/77/34/35/1068773435.db2.gz XMVUYRYQVUJWON-BVZFJXPGSA-N 0 0 459.587 4.541 20 0 JJADRN CCC1(Cn2cc(C(=O)Nc3ccc(Sc4ccc(OC)cc4)c(Cl)c3)nn2)COC1 ZINC001464530429 1068773943 /nfs/dbraw/zinc/77/39/43/1068773943.db2.gz KHIWHVQNHRNMGF-UHFFFAOYSA-N 0 0 458.971 4.770 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)C(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC001464534491 1068774426 /nfs/dbraw/zinc/77/44/26/1068774426.db2.gz CFGJRUDYFMGFAB-AWEZNQCLSA-N 0 0 450.274 4.795 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001464537359 1068775684 /nfs/dbraw/zinc/77/56/84/1068775684.db2.gz FKDFJIROXILVQT-ZDUSSCGKSA-N 0 0 451.304 4.714 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1Br ZINC001464541612 1068776729 /nfs/dbraw/zinc/77/67/29/1068776729.db2.gz LLSJEOVKUPGOPH-UHFFFAOYSA-N 0 0 452.414 4.881 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2CCC(C)C)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001464548329 1068778277 /nfs/dbraw/zinc/77/82/77/1068778277.db2.gz NGURPUNZXRHFQW-UHFFFAOYSA-N 0 0 453.608 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)CC1 ZINC001464548171 1068778302 /nfs/dbraw/zinc/77/83/02/1068778302.db2.gz XAVPRKGUZBHMBD-PMACEKPBSA-N 0 0 450.526 4.725 20 0 JJADRN COCCN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001464546458 1068778311 /nfs/dbraw/zinc/77/83/11/1068778311.db2.gz IXUQEUYFMKPIFV-LXPIXPORSA-N 0 0 470.532 4.791 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1NC(=O)c1ccncc1 ZINC001464547831 1068778431 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RCNUXHWVVXHGKO-SDHOMARFSA-N 0 0 452.595 4.954 20 0 JJADRN O=S(=O)(N[C@@H]1CCc2c1cccc2F)c1csc(-c2ccc(Br)cc2)n1 ZINC001464568713 1068785067 /nfs/dbraw/zinc/78/50/67/1068785067.db2.gz YGLSCGKPVJXVHN-MRXNPFEDSA-N 0 0 453.358 4.678 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001464571904 1068786808 /nfs/dbraw/zinc/78/68/08/1068786808.db2.gz OVIVGAQTKPBBLY-VABKMULXSA-N 0 0 455.599 4.577 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001464571915 1068786947 /nfs/dbraw/zinc/78/69/47/1068786947.db2.gz OVIVGAQTKPBBLY-ZLNRFVROSA-N 0 0 455.599 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001464574624 1068787679 /nfs/dbraw/zinc/78/76/79/1068787679.db2.gz SZAZCTHUXKPZPU-OTWHNJEPSA-N 0 0 457.398 4.807 20 0 JJADRN CCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H](C)C(=O)Nc1ccccc1 ZINC001464574536 1068787691 /nfs/dbraw/zinc/78/76/91/1068787691.db2.gz BCFRLICVFHHYJL-OAHLLOKOSA-N 0 0 457.983 4.550 20 0 JJADRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574152 1068787726 /nfs/dbraw/zinc/78/77/26/1068787726.db2.gz OGEVIHJNNMICDW-NZQKXSOJSA-N 0 0 459.631 4.663 20 0 JJADRN O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001464578534 1068789393 /nfs/dbraw/zinc/78/93/93/1068789393.db2.gz FIYXLQYPERMCCP-UHFFFAOYSA-N 0 0 454.353 4.659 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464578745 1068789844 /nfs/dbraw/zinc/78/98/44/1068789844.db2.gz GNQXUSOOTOKHRR-SFHVURJKSA-N 0 0 451.405 4.719 20 0 JJADRN CC(C)(C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001464583635 1068791515 /nfs/dbraw/zinc/79/15/15/1068791515.db2.gz FBHZYXHVPAFBMZ-UHFFFAOYSA-N 0 0 454.452 4.913 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc2cc(Br)sc2[nH]1 ZINC001464591274 1068793101 /nfs/dbraw/zinc/79/31/01/1068793101.db2.gz SZXJCOKJZDLYKJ-UHFFFAOYSA-N 0 0 455.337 4.569 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CCOCC1 ZINC001546148053 1068793111 /nfs/dbraw/zinc/79/31/11/1068793111.db2.gz CRQWMLQCMMPJPV-SANMLTNESA-N 0 0 470.658 4.726 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(O)c(C(C)(C)C)c1 ZINC001464596050 1068794218 /nfs/dbraw/zinc/79/42/18/1068794218.db2.gz KIMHNSUBKXBDHN-UHFFFAOYSA-N 0 0 454.586 4.653 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001464601499 1068795881 /nfs/dbraw/zinc/79/58/81/1068795881.db2.gz QMGKEMGMYIWUNI-UHFFFAOYSA-N 0 0 456.262 4.929 20 0 JJADRN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]1c1cncc(Br)c1 ZINC001464604941 1068796946 /nfs/dbraw/zinc/79/69/46/1068796946.db2.gz ZEVWVDRDWKRVDV-AWEZNQCLSA-N 0 0 453.255 4.528 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCCO1 ZINC001464608492 1068797452 /nfs/dbraw/zinc/79/74/52/1068797452.db2.gz UICBBQXDYIVBOH-UQBPGWFLSA-N 0 0 450.579 4.625 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)c1cccs1 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CC(C)C(=O)c1ccc(S(=O)(=O)N2CCc3cc(Cl)cc(Br)c3C2)cc1 ZINC001464635899 1068806466 /nfs/dbraw/zinc/80/64/66/1068806466.db2.gz CNXVQTNEXMYORF-UHFFFAOYSA-N 0 0 456.789 4.688 20 0 JJADRN Cc1ccc(OCCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)c1 ZINC001464639689 1068807388 /nfs/dbraw/zinc/80/73/88/1068807388.db2.gz LEMLNRNDTMAFOZ-UHFFFAOYSA-N 0 0 459.612 4.683 20 0 JJADRN O=Cc1cc(Br)cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1 ZINC001464641951 1068808779 /nfs/dbraw/zinc/80/87/79/1068808779.db2.gz IVUZKNYZOAWSPK-UHFFFAOYSA-N 0 0 458.699 4.815 20 0 JJADRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1Br ZINC001464644683 1068809280 /nfs/dbraw/zinc/80/92/80/1068809280.db2.gz ZDDVVWOTROIQTB-NSHDSACASA-N 0 0 456.749 4.500 20 0 JJADRN CCC[C@@H](CC)NC(=O)c1sccc1NC(=O)c1ccccc1I ZINC001464646692 1068810594 /nfs/dbraw/zinc/81/05/94/1068810594.db2.gz YUIALTAEVNDXSC-GFCCVEGCSA-N 0 0 456.349 4.914 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCc2ccc(OC)cc2C1)NC(=O)OC(C)(C)C ZINC001464651058 1068811967 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HGUFBQJTNMPFFK-UHFFFAOYSA-N 0 0 459.498 4.977 20 0 JJADRN C[C@H](CNC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1c(Cl)cccc1Cl ZINC001464653933 1068812615 /nfs/dbraw/zinc/81/26/15/1068812615.db2.gz JAHOLAPMVOGKFJ-CYBMUJFWSA-N 0 0 455.386 4.926 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546148485 1068813880 /nfs/dbraw/zinc/81/38/80/1068813880.db2.gz RTUXNQGCGMBXQQ-FQEVSTJZSA-N 0 0 471.621 4.891 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001464662439 1068815997 /nfs/dbraw/zinc/81/59/97/1068815997.db2.gz JIVCZTJNCUSFTL-JTSKRJEESA-N 0 0 457.036 4.921 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c(C)c1C ZINC001464665225 1068817307 /nfs/dbraw/zinc/81/73/07/1068817307.db2.gz QCRKJPMWYFUCOV-YKSBVNFPSA-N 0 0 450.645 4.687 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)C3(Cc4ccccc4Br)CC3)co2)cc1 ZINC001464667699 1068817857 /nfs/dbraw/zinc/81/78/57/1068817857.db2.gz KYMFQRSILGGWRC-UHFFFAOYSA-N 0 0 455.352 4.794 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001546148589 1068818984 /nfs/dbraw/zinc/81/89/84/1068818984.db2.gz WRPOCRJXQBCLSR-HXUWFJFHSA-N 0 0 471.621 4.939 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)ccc2N)n(-c2cccc(Br)c2)n1 ZINC001464672624 1068819719 /nfs/dbraw/zinc/81/97/19/1068819719.db2.gz ZNFVLNJCYXPHHL-UHFFFAOYSA-N 0 0 450.134 4.540 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N1CC[C@H](C(=O)OC(C)(C)C)c3ccccc31)=C2 ZINC001464674199 1068820186 /nfs/dbraw/zinc/82/01/86/1068820186.db2.gz OYUQLMPOXXGVRV-QFIPXVFZSA-N 0 0 455.576 4.648 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CCCN(C(=O)OCC(C)C)CC2)ccc1Br ZINC001464674630 1068820515 /nfs/dbraw/zinc/82/05/15/1068820515.db2.gz JTXRTNDSZNQUKQ-UHFFFAOYSA-N 0 0 453.421 4.653 20 0 JJADRN Cc1ccccc1C1(CNC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CCCCC1 ZINC001464683662 1068824321 /nfs/dbraw/zinc/82/43/21/1068824321.db2.gz HQIYSDSGQUNRGO-QFIPXVFZSA-N 0 0 454.615 4.655 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCC1 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CSc1ccc(C(F)(F)N2CCC3(CCC(=O)N3Cc3csc(C)n3)CC2)nc1Cl ZINC001164684899 719593967 /nfs/dbraw/zinc/59/39/67/719593967.db2.gz KUGWFBMMHUVCFL-UHFFFAOYSA-N 0 0 473.014 4.928 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C[C@@H]2COc1cccnc1 ZINC001164683661 719597258 /nfs/dbraw/zinc/59/72/58/719597258.db2.gz HIOJRWMHGSLNRL-QGZVFWFLSA-N 0 0 482.922 4.653 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C[C@H]2COc1cccnc1 ZINC001164688488 719598982 /nfs/dbraw/zinc/59/89/82/719598982.db2.gz WVYQWVVCNNGWAD-AWEZNQCLSA-N 0 0 488.951 4.715 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1ccc3c(Cl)nccc3c1)C[C@H]2COc1cccnc1 ZINC001164683635 719600167 /nfs/dbraw/zinc/60/01/67/719600167.db2.gz GYMMZFBERJXYNJ-INIZCTEOSA-N 0 0 455.896 4.744 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)N1Cc1cccnc1 ZINC001164690782 719765358 /nfs/dbraw/zinc/76/53/58/719765358.db2.gz IFDSMQAEKILJDC-RTWAWAEBSA-N 0 0 454.908 4.722 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)N1Cc1cccnc1 ZINC001164690955 719767607 /nfs/dbraw/zinc/76/76/07/719767607.db2.gz JHXCIVVOMYLASG-IAGOWNOFSA-N 0 0 498.748 4.910 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)N1Cc1cccnc1 ZINC001164691065 719774777 /nfs/dbraw/zinc/77/47/77/719774777.db2.gz KTZHTKHBQMEWDS-LEWJYISDSA-N 0 0 472.898 4.861 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)c1 ZINC001164692828 719777262 /nfs/dbraw/zinc/77/72/62/719777262.db2.gz VXSNNTYLCPTMTG-FGZHOGPDSA-N 0 0 484.934 4.730 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164694281 719792315 /nfs/dbraw/zinc/79/23/15/719792315.db2.gz FFPWVZKNLQVCOH-UHFFFAOYSA-N 0 0 474.634 4.602 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CC3)cs1 ZINC001164691304 719812862 /nfs/dbraw/zinc/81/28/62/719812862.db2.gz FGFAAKPMXWDHNO-UHFFFAOYSA-N 0 0 464.973 4.623 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2c4c(nnc2Cl)CCC4)CC3)cs1 ZINC001164691318 719813949 /nfs/dbraw/zinc/81/39/49/719813949.db2.gz FWZAQLNFGFYDOY-UHFFFAOYSA-N 0 0 453.990 4.564 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc(-c4cc(Cl)ncn4)cc2)CC3)cn1 ZINC001164698865 719825338 /nfs/dbraw/zinc/82/53/38/719825338.db2.gz VOAUBVUZGYHRRE-QGZVFWFLSA-N 0 0 459.928 4.619 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)cc1 ZINC001164696455 719830495 /nfs/dbraw/zinc/83/04/95/719830495.db2.gz KNANDKJSIQMPNT-UHFFFAOYSA-N 0 0 497.977 4.759 20 0 JJADRN COC[C@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164696858 719832273 /nfs/dbraw/zinc/83/22/73/719832273.db2.gz VPNXAJVVIBVZTN-OAQYLSRUSA-N 0 0 488.661 4.828 20 0 JJADRN COC[C@@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)Cc2cn(C)nc21 ZINC001164695771 719832645 /nfs/dbraw/zinc/83/26/45/719832645.db2.gz OMBDMSACGREMOV-SFHVURJKSA-N 0 0 494.690 4.889 20 0 JJADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164696369 719834794 /nfs/dbraw/zinc/83/47/94/719834794.db2.gz SQPKPRGCEIRBSZ-HXUWFJFHSA-N 0 0 496.949 4.791 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC2)CN1c1ccccc1 ZINC001164695494 719836410 /nfs/dbraw/zinc/83/64/10/719836410.db2.gz NTFFMRIGUJKQBA-UHFFFAOYSA-N 0 0 493.341 4.884 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 ZINC001164697876 719836462 /nfs/dbraw/zinc/83/64/62/719836462.db2.gz ZDTWCFNZIDKDAH-UHFFFAOYSA-N 0 0 493.677 4.552 20 0 JJADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4ccc(Cl)cc4)c2)C3)n1 ZINC001164811386 720063694 /nfs/dbraw/zinc/06/36/94/720063694.db2.gz OEFSEBIACCEZIA-QRWLVFNGSA-N 0 0 467.303 4.696 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)cs1 ZINC001164817367 720253520 /nfs/dbraw/zinc/25/35/20/720253520.db2.gz QRPCLGHCARSVAO-SJORKVTESA-N 0 0 481.931 4.502 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)c1 ZINC001164815751 720257091 /nfs/dbraw/zinc/25/70/91/720257091.db2.gz DWGCRQUXHSSAPR-JKSUJKDBSA-N 0 0 458.987 4.537 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)cs1 ZINC001164815147 720259426 /nfs/dbraw/zinc/25/94/26/720259426.db2.gz BCQBPTRYFKDWSI-WOJBJXKFSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)cs1 ZINC001164815144 720259856 /nfs/dbraw/zinc/25/98/56/720259856.db2.gz BCQBPTRYFKDWSI-PMACEKPBSA-N 0 0 489.979 4.877 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3CCC[C@@]5(CCN(CC6CC6)C5=O)C3)n2)CCC4)CC1 ZINC001164816991 720281760 /nfs/dbraw/zinc/28/17/60/720281760.db2.gz ATPZTISXVOBWBG-MUUNZHRXSA-N 0 0 493.721 4.641 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)cc1 ZINC001164818841 720283943 /nfs/dbraw/zinc/28/39/43/720283943.db2.gz NPTVMPRTKNAIMZ-HSZRJFAPSA-N 0 0 460.956 4.879 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164819112 720284225 /nfs/dbraw/zinc/28/42/25/720284225.db2.gz PMOCLLKRNVLBOR-QFIPXVFZSA-N 0 0 464.919 4.710 20 0 JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164725037 720317657 /nfs/dbraw/zinc/31/76/57/720317657.db2.gz VISBSQGXRATAJP-OAQYLSRUSA-N 0 0 488.970 4.668 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164724624 720318441 /nfs/dbraw/zinc/31/84/41/720318441.db2.gz SENGFNJNXIMJBP-FQEVSTJZSA-N 0 0 465.976 4.566 20 0 JJADRN Cc1nc(CN2CCN(C)C3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164824149 720366853 /nfs/dbraw/zinc/36/68/53/720366853.db2.gz JTLJVNVAMJYHAF-UHFFFAOYSA-N 0 0 490.460 4.620 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821807 720389278 /nfs/dbraw/zinc/38/92/78/720389278.db2.gz ISVPWRAUJMPBCB-KURKYZTESA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820379 720389393 /nfs/dbraw/zinc/38/93/93/720389393.db2.gz ADBNKXKOCFKTIK-IIAWOOMASA-N 0 0 450.338 4.651 20 0 JJADRN CSc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164820794 720389893 /nfs/dbraw/zinc/38/98/93/720389893.db2.gz COHMARZZBLDRQV-GRDNDAEWSA-N 0 0 461.987 4.720 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164824357 720391271 /nfs/dbraw/zinc/39/12/71/720391271.db2.gz RAQBAZJPWNLPMX-YESZJQIVSA-N 0 0 461.987 4.720 20 0 JJADRN Cc1nc(CO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825007 720391419 /nfs/dbraw/zinc/39/14/19/720391419.db2.gz TVFYKIVICDEACB-MIZPHKNDSA-N 0 0 499.706 4.622 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)c(Cl)n1 ZINC001164824382 720394239 /nfs/dbraw/zinc/39/42/39/720394239.db2.gz RDGOXCCKJLNOJS-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164831545 720405080 /nfs/dbraw/zinc/40/50/80/720405080.db2.gz WGLZEPASJZBQPG-ILXRZTDVSA-N 0 0 472.279 4.552 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827553 720408734 /nfs/dbraw/zinc/40/87/34/720408734.db2.gz FZUVWVFMNHXIAO-AQNXPRMDSA-N 0 0 494.665 4.746 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(CN4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)O2)n1 ZINC001164830984 720408847 /nfs/dbraw/zinc/40/88/47/720408847.db2.gz SVHFSYIPWLVDBU-XLNTUCKNSA-N 0 0 494.665 4.602 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(Cl)nn1 ZINC001164829884 720411473 /nfs/dbraw/zinc/41/14/73/720411473.db2.gz OPFSCVJFIMDYOB-NZSAHSFTSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)O2)n1 ZINC001164828790 720412021 /nfs/dbraw/zinc/41/20/21/720412021.db2.gz LILDTDGVQMOTHD-FHWLQOOXSA-N 0 0 461.900 4.841 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]21 ZINC001164826395 720417816 /nfs/dbraw/zinc/41/78/16/720417816.db2.gz QFCLQTNRIHMVJK-DYXWJJEUSA-N 0 0 463.956 4.560 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]21 ZINC001164828590 720423535 /nfs/dbraw/zinc/42/35/35/720423535.db2.gz YBMHOBZTCSRXQG-CBGDNZLLSA-N 0 0 481.946 4.700 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730562 720484613 /nfs/dbraw/zinc/48/46/13/720484613.db2.gz UDNVYGKVWVEBGU-YADHBBJMSA-N 0 0 455.940 4.899 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164725306 720485547 /nfs/dbraw/zinc/48/55/47/720485547.db2.gz JLZQJFMQVWNLMR-LEWJYISDSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164730208 720491275 /nfs/dbraw/zinc/49/12/75/720491275.db2.gz SUMVRFZODNISLB-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164730855 720491647 /nfs/dbraw/zinc/49/16/47/720491647.db2.gz VNFKNOWFJVGMTO-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164730852 720491651 /nfs/dbraw/zinc/49/16/51/720491651.db2.gz VNFKNOWFJVGMTO-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)C3)c1 ZINC001164722440 720492035 /nfs/dbraw/zinc/49/20/35/720492035.db2.gz AMMRRLUEWJXLNT-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc4ccsc4c(Cl)n2)C3)c1 ZINC001164724485 720492252 /nfs/dbraw/zinc/49/22/52/720492252.db2.gz GNSOYVNYALYKAS-LHSJRXKWSA-N 0 0 498.958 4.753 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)C3)c1 ZINC001164724760 720492327 /nfs/dbraw/zinc/49/23/27/720492327.db2.gz HAPDLBPIHIECAF-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN CSc1ccc(C(F)(F)N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1Cl ZINC001164730085 720493856 /nfs/dbraw/zinc/49/38/56/720493856.db2.gz SGFIYAQNZBMASQ-YCRPNKLZSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164724180 720495261 /nfs/dbraw/zinc/49/52/61/720495261.db2.gz FBKYTMBILWAHOT-NYHFZMIOSA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164722450 720496387 /nfs/dbraw/zinc/49/63/87/720496387.db2.gz AQIALLXUFZJOHE-VGOFRKELSA-N 0 0 481.946 4.718 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164725677 720499826 /nfs/dbraw/zinc/49/98/26/720499826.db2.gz JVLUOOMYKUPGDV-DYESRHJHSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164730175 720501104 /nfs/dbraw/zinc/50/11/04/720501104.db2.gz SQOCXMKONOKAEM-KKSFZXQISA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164730171 720501118 /nfs/dbraw/zinc/50/11/18/720501118.db2.gz SQOCXMKONOKAEM-IERDGZPVSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164730216 720501151 /nfs/dbraw/zinc/50/11/51/720501151.db2.gz SVISQAURDWRZEG-LAUBAEHRSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]21)N1CCCCC1 ZINC001164835636 720501526 /nfs/dbraw/zinc/50/15/26/720501526.db2.gz ZIBADHBOOKOMIP-NSHGMRRFSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164833968 720502698 /nfs/dbraw/zinc/50/26/98/720502698.db2.gz DZBBYYGMDRVNIO-BXWFABGCSA-N 0 0 497.011 4.647 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164727578 720504347 /nfs/dbraw/zinc/50/43/47/720504347.db2.gz CIRMFFBUNYTHBY-DENIHFKCSA-N 0 0 474.895 4.559 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164732010 720504367 /nfs/dbraw/zinc/50/43/67/720504367.db2.gz SCOBDHGUKOSKAT-ZJSXRUAMSA-N 0 0 499.949 4.669 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164730722 720504604 /nfs/dbraw/zinc/50/46/04/720504604.db2.gz NEZTXAHYHOTPIV-NZQKXSOJSA-N 0 0 476.955 4.568 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733636 720540466 /nfs/dbraw/zinc/54/04/66/720540466.db2.gz DFEMBIVHODGEDY-WZONZLPQSA-N 0 0 487.938 4.586 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2cccc(Cl)n2)Cc2ccccc23)nc1 ZINC001164837910 720733951 /nfs/dbraw/zinc/73/39/51/720733951.db2.gz OQCUAOZOTMKIPB-UHFFFAOYSA-N 0 0 459.903 4.767 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2nc(Cl)cc(Cl)n2)Cc2ccccc23)nc1 ZINC001164837890 720735248 /nfs/dbraw/zinc/73/52/48/720735248.db2.gz NQJSQLZXYPGWST-UHFFFAOYSA-N 0 0 495.336 4.816 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2nc(Cl)ccc2F)Cc2ccccc23)nc1 ZINC001164838683 720735356 /nfs/dbraw/zinc/73/53/56/720735356.db2.gz WYICWTFHSRHSFN-UHFFFAOYSA-N 0 0 477.893 4.907 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164850482 720755468 /nfs/dbraw/zinc/75/54/68/720755468.db2.gz XALGPKNFSIXGSD-AIFCEMJISA-N 0 0 481.710 4.830 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846851 720755731 /nfs/dbraw/zinc/75/57/31/720755731.db2.gz KHBJKRMVUPVDSE-FNZWTVRRSA-N 0 0 467.683 4.584 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164851366 720773116 /nfs/dbraw/zinc/77/31/16/720773116.db2.gz ZMRQFAJLXRCFJX-QMMLZNLJSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848786 720776054 /nfs/dbraw/zinc/77/60/54/720776054.db2.gz QPSDQAQBESULBA-JBACZVJFSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164850006 720780005 /nfs/dbraw/zinc/78/00/05/720780005.db2.gz VNVZKMLEZDGHJL-OAGGEKHMSA-N 0 0 460.308 4.551 20 0 JJADRN COC[C@]12CCC[C@@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164851078 720789636 /nfs/dbraw/zinc/78/96/36/720789636.db2.gz XIZSFMYMYFHJPE-QVKFZJNVSA-N 0 0 486.346 4.938 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)C2=O)c1 ZINC001164854614 720808402 /nfs/dbraw/zinc/80/84/02/720808402.db2.gz UVXMZWGDMROMFA-CLJLJLNGSA-N 0 0 480.971 4.862 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)C2=O)c1 ZINC001164854703 720808458 /nfs/dbraw/zinc/80/84/58/720808458.db2.gz VLGQZSQFUDMCIS-XMMPIXPASA-N 0 0 483.950 4.674 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)C2=O)c1 ZINC001164854618 720808589 /nfs/dbraw/zinc/80/85/89/720808589.db2.gz UVXMZWGDMROMFA-FTJBHMTQSA-N 0 0 480.971 4.862 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164848055 720813578 /nfs/dbraw/zinc/81/35/78/720813578.db2.gz BULNFBSAOXKDJU-LAUBAEHRSA-N 0 0 472.898 4.576 20 0 JJADRN COC[C@]12CCCO[C@H]1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852170 720827527 /nfs/dbraw/zinc/82/75/27/720827527.db2.gz ZKWINCDLFIZVNN-HFZDXXHNSA-N 0 0 470.683 4.578 20 0 JJADRN COC[C@]12CCCO[C@@H]1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852172 720827836 /nfs/dbraw/zinc/82/78/36/720827836.db2.gz ZKWINCDLFIZVNN-QFQXNSOFSA-N 0 0 470.683 4.578 20 0 JJADRN Cc1nc([C@H]2COCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164753016 720864595 /nfs/dbraw/zinc/86/45/95/720864595.db2.gz VBIDZXXHOXGBKA-GOSISDBHSA-N 0 0 455.653 4.509 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1)c1ccccc1 ZINC001164858756 720899089 /nfs/dbraw/zinc/89/90/89/720899089.db2.gz ORYJKNTWTHSBQC-YKSBVNFPSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1)c1ccccc1 ZINC001164863233 720900207 /nfs/dbraw/zinc/90/02/07/720900207.db2.gz XSRAHNCVCDJYIZ-DVECYGJZSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1)c1ccccc1 ZINC001164855580 720903640 /nfs/dbraw/zinc/90/36/40/720903640.db2.gz ITVNFHIWKSANAA-CVDCTZTESA-N 0 0 461.940 4.715 20 0 JJADRN CC(C)CN1[C@@H]2CCN(C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755538 720972094 /nfs/dbraw/zinc/97/20/94/720972094.db2.gz AEVWROMGBUEYDN-WOJBJXKFSA-N 0 0 478.058 4.542 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758051 720979573 /nfs/dbraw/zinc/97/95/73/720979573.db2.gz SFKGXPHZLSILEA-GFCCVEGCSA-N 0 0 451.732 4.846 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3Cc4cncn4C[C@@H](COCC4CC4)C3)c2c1C ZINC001164758124 720981025 /nfs/dbraw/zinc/98/10/25/720981025.db2.gz UCLDTNHJXYZCIL-NRFANRHFSA-N 0 0 480.682 4.554 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164757964 720982191 /nfs/dbraw/zinc/98/21/91/720982191.db2.gz RLQMVIBRDCCQGB-QGZVFWFLSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164759122 721026593 /nfs/dbraw/zinc/02/65/93/721026593.db2.gz KXLZDSGRUOACPD-GCJKJVERSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164760276 721027142 /nfs/dbraw/zinc/02/71/42/721027142.db2.gz CMNXSPRETPBVGP-AVRDEDQJSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164765433 721027553 /nfs/dbraw/zinc/02/75/53/721027553.db2.gz PIMNGSJRVXBXKL-YWZLYKJASA-N 0 0 466.941 4.629 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164766639 721028046 /nfs/dbraw/zinc/02/80/46/721028046.db2.gz RJPNIMTVRYUKGB-GCJKJVERSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]2C1=O ZINC001164856558 721028980 /nfs/dbraw/zinc/02/89/80/721028980.db2.gz AZIJHLAICAZVOF-OPYAIIAOSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1=O ZINC001164860945 721029571 /nfs/dbraw/zinc/02/95/71/721029571.db2.gz LWYDGCGZYPLMND-UZKOGDIHSA-N 0 0 477.983 4.781 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164763053 721029540 /nfs/dbraw/zinc/02/95/40/721029540.db2.gz JUJUVIKFEVDCKP-OXQOHEQNSA-N 0 0 455.958 4.742 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164770259 721031047 /nfs/dbraw/zinc/03/10/47/721031047.db2.gz XGTUISLIYNMXMP-ZODMCCGTSA-N 0 0 484.959 4.664 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164766510 721032467 /nfs/dbraw/zinc/03/24/67/721032467.db2.gz QVYDDMXRSFRKRJ-LPHOPBHVSA-N 0 0 460.308 4.553 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)[C@@H]2COCc1ccccc1 ZINC001164774755 721048851 /nfs/dbraw/zinc/04/88/51/721048851.db2.gz XUGIUACACAJNGD-LJQANCHMSA-N 0 0 472.927 4.693 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)c1 ZINC001164773448 721056514 /nfs/dbraw/zinc/05/65/14/721056514.db2.gz RSMILEZCFXHTHU-YADHBBJMSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)n1 ZINC001164764921 721056770 /nfs/dbraw/zinc/05/67/70/721056770.db2.gz BYEORHBOMOCEGI-NHCUHLMSSA-N 0 0 487.913 4.564 20 0 JJADRN O=C(c1cccnc1N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164774188 721059878 /nfs/dbraw/zinc/05/98/78/721059878.db2.gz VIROEAHYJNKLBY-DHIFEGFHSA-N 0 0 496.655 4.583 20 0 JJADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@H]2CCCO[C@@H]12 ZINC001164764359 721068243 /nfs/dbraw/zinc/06/82/43/721068243.db2.gz HIGDDDDZKHOAPN-UWVAXJGDSA-N 0 0 492.979 4.513 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869553 721218244 /nfs/dbraw/zinc/21/82/44/721218244.db2.gz CWGMVZNFAVMNQF-UHFFFAOYSA-N 0 0 480.346 4.752 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869035 721218299 /nfs/dbraw/zinc/21/82/99/721218299.db2.gz AHNOUORAGGMTMZ-UHFFFAOYSA-N 0 0 480.346 4.752 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164874364 721219919 /nfs/dbraw/zinc/21/99/19/721219919.db2.gz UYKGVXRWMJPOSI-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872749 721221900 /nfs/dbraw/zinc/22/19/00/721221900.db2.gz OAQWRNNDPHBZRR-UHFFFAOYSA-N 0 0 462.850 4.570 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3ccccn3)CCO4)c(Cl)nn2)c1 ZINC001164870623 721222931 /nfs/dbraw/zinc/22/29/31/721222931.db2.gz GWTCBBHGGQNBPR-UHFFFAOYSA-N 0 0 489.929 4.752 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]32)N=C1C ZINC001164871233 721236430 /nfs/dbraw/zinc/23/64/30/721236430.db2.gz FRFCNWKAVLBOAD-DAESXHAQSA-N 0 0 464.969 4.874 20 0 JJADRN O=C(N1CCCC1)C12CC(C1)CN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164872167 721237760 /nfs/dbraw/zinc/23/77/60/721237760.db2.gz KKOPWFSDKSFWFD-UHFFFAOYSA-N 0 0 493.702 4.997 20 0 JJADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164875846 721238512 /nfs/dbraw/zinc/23/85/12/721238512.db2.gz XRQMOOHVGRMFIP-UHFFFAOYSA-N 0 0 486.872 4.952 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164878881 721249606 /nfs/dbraw/zinc/24/96/06/721249606.db2.gz VWRDGKXJAVFRHD-UFYCRDLUSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164875049 721250787 /nfs/dbraw/zinc/25/07/87/721250787.db2.gz LPDNMEISTBPZDD-NYVOZVTQSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]21 ZINC001164767130 721252476 /nfs/dbraw/zinc/25/24/76/721252476.db2.gz VUMKCJSKDIDRLO-BVYCBKJFSA-N 0 0 487.934 4.555 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)O1)c1ccccc1 ZINC001164878125 721257142 /nfs/dbraw/zinc/25/71/42/721257142.db2.gz SIQZQUMEMXWXNL-UZUQRXQVSA-N 0 0 474.939 4.709 20 0 JJADRN Clc1nc2c(c(N3CCc4c(COCc5ccccn5)cncc4C3)n1)CN(Cc1ccccc1)C2 ZINC001164768262 721269871 /nfs/dbraw/zinc/26/98/71/721269871.db2.gz TYJZYQUBQKARLU-UHFFFAOYSA-N 0 0 499.018 4.715 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)c(Cl)n1 ZINC001164768405 721270408 /nfs/dbraw/zinc/27/04/08/721270408.db2.gz UMDQCPSXGACJKH-UHFFFAOYSA-N 0 0 488.922 4.526 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765376 721270971 /nfs/dbraw/zinc/27/09/71/721270971.db2.gz KQUVBANHNXZCGD-SANMLTNESA-N 0 0 491.954 4.994 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769353 721271556 /nfs/dbraw/zinc/27/15/56/721271556.db2.gz XVJWCABKNOWUOI-UHFFFAOYSA-N 0 0 494.933 4.806 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164765820 721273499 /nfs/dbraw/zinc/27/34/99/721273499.db2.gz LEYGEASAMDNWCP-AWEZNQCLSA-N 0 0 491.329 4.788 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1 ZINC001164874972 721296521 /nfs/dbraw/zinc/29/65/21/721296521.db2.gz FULVCXIVRLDZHN-OXQOHEQNSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]2C1 ZINC001164878361 721300201 /nfs/dbraw/zinc/30/02/01/721300201.db2.gz KVYKDHVZZKFAIV-KXBFYZLASA-N 0 0 467.969 4.586 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4cccnc4)n2)CCO3)c1 ZINC001164774449 721304970 /nfs/dbraw/zinc/30/49/70/721304970.db2.gz CHASMCNQXDCBQM-DEOSSOPVSA-N 0 0 485.966 4.921 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)c1 ZINC001164774504 721305118 /nfs/dbraw/zinc/30/51/18/721305118.db2.gz DHXJHBFHIPFQEG-FQEVSTJZSA-N 0 0 457.352 4.599 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4ccccn4)n2)CCO3)c1 ZINC001164774365 721305179 /nfs/dbraw/zinc/30/51/79/721305179.db2.gz ANKLXEUQKXVJLS-XMMPIXPASA-N 0 0 485.966 4.921 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CCO3)c1 ZINC001164774653 721305691 /nfs/dbraw/zinc/30/56/91/721305691.db2.gz GLDMRFVGUMFCFO-NRFANRHFSA-N 0 0 479.984 4.555 20 0 JJADRN O=C1CCC2(CCN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC2)N1CC1CC1 ZINC001164775726 721306844 /nfs/dbraw/zinc/30/68/44/721306844.db2.gz IUSKGKWBPASRNG-UHFFFAOYSA-N 0 0 493.721 4.927 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CCC(=O)N4CC4CC4)CC3)c(Cl)nn2)c1 ZINC001164778075 721307557 /nfs/dbraw/zinc/30/75/57/721307557.db2.gz VVCYWAYPXGYMNI-UHFFFAOYSA-N 0 0 476.955 4.722 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880849 721312193 /nfs/dbraw/zinc/31/21/93/721312193.db2.gz SSPPZMQWUCEBRN-ORYQWCPZSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164879031 721313447 /nfs/dbraw/zinc/31/34/47/721313447.db2.gz MKXIHNDZKTTWNN-QXAKKESOSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880172 721314667 /nfs/dbraw/zinc/31/46/67/721314667.db2.gz PMQKHMDGWODLMR-ORYQWCPZSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164876927 721314723 /nfs/dbraw/zinc/31/47/23/721314723.db2.gz HIIFXIOAGNJBCA-TYCQWZJGSA-N 0 0 472.923 4.800 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164880345 721317404 /nfs/dbraw/zinc/31/74/04/721317404.db2.gz XEIBWWRUUHNEJX-KRWDZBQOSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164880383 721317778 /nfs/dbraw/zinc/31/77/78/721317778.db2.gz XGZZYHAGZXOHTH-LJQANCHMSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164879879 721318602 /nfs/dbraw/zinc/31/86/02/721318602.db2.gz UCHYQDLRPHFWKA-KRWDZBQOSA-N 0 0 474.964 4.904 20 0 JJADRN CCN1CC[C@]2(CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)C[C@@H]2C)C1=O ZINC001164776474 721319601 /nfs/dbraw/zinc/31/96/01/721319601.db2.gz DFBHKJBFZCYCLK-NPMXOYFQSA-N 0 0 473.955 4.528 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164874662 721319721 /nfs/dbraw/zinc/31/97/21/721319721.db2.gz DKUPVCPSHKTJGA-IBGZPJMESA-N 0 0 486.925 4.981 20 0 JJADRN CCN1CC[C@]2(CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)C[C@H]2C)C1=O ZINC001164776333 721319698 /nfs/dbraw/zinc/31/96/98/721319698.db2.gz DFBHKJBFZCYCLK-IQMFZBJNSA-N 0 0 473.955 4.528 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164776888 721325201 /nfs/dbraw/zinc/32/52/01/721325201.db2.gz FWSICMKGSXSKAS-AWEZNQCLSA-N 0 0 464.875 4.569 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164778563 721325287 /nfs/dbraw/zinc/32/52/87/721325287.db2.gz PSVCFEFDOCRIAS-GFCCVEGCSA-N 0 0 470.904 4.631 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2)N1CC=CC1 ZINC001164778018 721327493 /nfs/dbraw/zinc/32/74/93/721327493.db2.gz SQQAOXJSKRMOMU-UHFFFAOYSA-N 0 0 459.368 4.894 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001164778776 721328076 /nfs/dbraw/zinc/32/80/76/721328076.db2.gz YGQSVVGQIWNAPS-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)n1 ZINC001164778881 721328459 /nfs/dbraw/zinc/32/84/59/721328459.db2.gz ZTLBWHFSMZJWDS-UHFFFAOYSA-N 0 0 471.017 4.962 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2)N1CC=CC1 ZINC001164778381 721328922 /nfs/dbraw/zinc/32/89/22/721328922.db2.gz UYMLOCRDRCNOTG-UHFFFAOYSA-N 0 0 496.986 4.937 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)cnc3Cl)C2)cs1 ZINC001164877898 721330672 /nfs/dbraw/zinc/33/06/72/721330672.db2.gz XPNBHXLIEXQVJM-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)cs1 ZINC001164876309 721331709 /nfs/dbraw/zinc/33/17/09/721331709.db2.gz NWNZJZVAJVUVEY-AWEZNQCLSA-N 0 0 478.956 4.576 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2C1 ZINC001164883423 721353118 /nfs/dbraw/zinc/35/31/18/721353118.db2.gz LPBJVLWUBFCQJA-DYESRHJHSA-N 0 0 473.907 4.517 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164884183 721353154 /nfs/dbraw/zinc/35/31/54/721353154.db2.gz MYGFKXJDUJSHTM-NFBKMPQASA-N 0 0 498.961 4.628 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)N1c1ccsc1 ZINC001164885735 721356325 /nfs/dbraw/zinc/35/63/25/721356325.db2.gz YSQZLVXDQQYKBW-HUUCEWRRSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)N1c1ccsc1 ZINC001164885729 721356491 /nfs/dbraw/zinc/35/64/91/721356491.db2.gz YSQZLVXDQQYKBW-CABCVRRESA-N 0 0 455.317 4.927 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)c(Cl)nn1 ZINC001164885661 721359943 /nfs/dbraw/zinc/35/99/43/721359943.db2.gz YEWXBVLQZURCGN-ROUUACIJSA-N 0 0 476.936 4.796 20 0 JJADRN CSc1ccc(Oc2cc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783907 721361655 /nfs/dbraw/zinc/36/16/55/721361655.db2.gz PZCBSBLKSLAKTA-AREMUKBSSA-N 0 0 495.649 4.715 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(CC(=O)N(c5cnn(C)c5)C4)C3)cnc2Cl)c1 ZINC001164886869 721373982 /nfs/dbraw/zinc/37/39/82/721373982.db2.gz PDTXGGKZFFHBPT-QHCPKHFHSA-N 0 0 471.939 4.622 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164787938 721383733 /nfs/dbraw/zinc/38/37/33/721383733.db2.gz YKUZWEDAZHFYFR-IERDGZPVSA-N 0 0 480.968 4.877 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164788525 721383786 /nfs/dbraw/zinc/38/37/86/721383786.db2.gz ZORJTVZMMXETKX-CVDCTZTESA-N 0 0 474.939 4.815 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)nc12 ZINC001164780722 721383966 /nfs/dbraw/zinc/38/39/66/721383966.db2.gz IGIBXWRUEFDZNO-UZUQRXQVSA-N 0 0 492.929 4.955 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)nc(Cl)c2c1 ZINC001164781415 721384295 /nfs/dbraw/zinc/38/42/95/721384295.db2.gz JPMVGTDYKLZQIP-HXOBKFHXSA-N 0 0 492.929 4.955 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@]4(CCC[C@H]4COCc4ccncc4)C3)nc(Cl)c2c1 ZINC001164781419 721384431 /nfs/dbraw/zinc/38/44/31/721384431.db2.gz JPMVGTDYKLZQIP-SBUREZEXSA-N 0 0 492.929 4.955 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786195 721384956 /nfs/dbraw/zinc/38/49/56/721384956.db2.gz UHKULJRUCPXPFK-REWPJTCUSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782576 721386192 /nfs/dbraw/zinc/38/61/92/721386192.db2.gz MITHUMFQGLNWRA-WZONZLPQSA-N 0 0 490.938 4.922 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786170 721386197 /nfs/dbraw/zinc/38/61/97/721386197.db2.gz UDOFYFFXWSSJJG-FDDCHVKYSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779669 721386283 /nfs/dbraw/zinc/38/62/83/721386283.db2.gz BZMRZMWWFKJWKO-PGRDOPGGSA-N 0 0 464.944 4.540 20 0 JJADRN FC(F)(N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164779333 721386638 /nfs/dbraw/zinc/38/66/38/721386638.db2.gz AJKZVROMPJIMPX-NFBKMPQASA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164780167 721386654 /nfs/dbraw/zinc/38/66/54/721386654.db2.gz FFTYZBCYOUNYKA-OFNKIYASSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164782162 721399122 /nfs/dbraw/zinc/39/91/22/721399122.db2.gz DTRBYNWHKUGVAS-VXGBXAGGSA-N 0 0 456.349 4.506 20 0 JJADRN Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2)cn1 ZINC001164783890 721420808 /nfs/dbraw/zinc/42/08/08/721420808.db2.gz JHIWSXZULPAMDQ-PMACEKPBSA-N 0 0 483.037 4.862 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)nc(Cl)n2)CCO3)cs1 ZINC001164783283 721442947 /nfs/dbraw/zinc/44/29/47/721442947.db2.gz OGSBBQJITXJGNK-SCLBCKFNSA-N 0 0 479.380 4.686 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)n1 ZINC001164784066 721443212 /nfs/dbraw/zinc/44/32/12/721443212.db2.gz OYWGNIZEVDSLEE-AUUYWEPGSA-N 0 0 491.029 4.754 20 0 JJADRN COc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)cc(Cl)n1 ZINC001164785839 721443246 /nfs/dbraw/zinc/44/32/46/721443246.db2.gz SZNQXEWXKIOJSE-FOIQADDNSA-N 0 0 473.973 4.646 20 0 JJADRN COc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3csc(C)n3)C2)cc(Cl)n1 ZINC001164785848 721443353 /nfs/dbraw/zinc/44/33/53/721443353.db2.gz SZNQXEWXKIOJSE-YWZLYKJASA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)COc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784355 721443488 /nfs/dbraw/zinc/44/34/88/721443488.db2.gz PKPYVLFPFWMGBZ-UZLBHIALSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164783939 721443714 /nfs/dbraw/zinc/44/37/14/721443714.db2.gz OQHOTEFLRZXGGM-DNVCBOLYSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc(C)c(Cl)n2)CCO3)cs1 ZINC001164780992 721443958 /nfs/dbraw/zinc/44/39/58/721443958.db2.gz DMSCEOAIHCJZJB-OXQOHEQNSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(C)cc(Cl)n2)CCO3)cs1 ZINC001164782044 721444344 /nfs/dbraw/zinc/44/43/44/721444344.db2.gz IJXSYWQNAXPQTG-OXQOHEQNSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CCO3)cs1 ZINC001164781593 721444474 /nfs/dbraw/zinc/44/44/74/721444474.db2.gz GNGYIWOGTBWTMS-YCRPNKLZSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CCO3)cs1 ZINC001164780888 721445071 /nfs/dbraw/zinc/44/50/71/721445071.db2.gz CLUJBVNMXDLBIJ-VLIAUNLRSA-N 0 0 483.972 4.513 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1 ZINC001164889692 721460105 /nfs/dbraw/zinc/46/01/05/721460105.db2.gz PGKWBGPZXYUKML-AQNXPRMDSA-N 0 0 482.358 4.863 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)C2=O)cs1 ZINC001164887932 721460882 /nfs/dbraw/zinc/46/08/82/721460882.db2.gz KZOKUIAEYOEDPO-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)C2=O)cs1 ZINC001164891164 721460919 /nfs/dbraw/zinc/46/09/19/721460919.db2.gz UHIDTTKUMXJKJK-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)C2=O)cs1 ZINC001164892450 721462013 /nfs/dbraw/zinc/46/20/13/721462013.db2.gz QMVVJBCBEMTWPR-HXUWFJFHSA-N 0 0 466.985 4.639 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@@H]21 ZINC001164887573 721466148 /nfs/dbraw/zinc/46/61/48/721466148.db2.gz BWUIBTRDMQLRBI-NQIIRXRSSA-N 0 0 463.956 4.942 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164891293 721469967 /nfs/dbraw/zinc/46/99/67/721469967.db2.gz MZCSEUKHLDPPRQ-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)C1=O ZINC001164896984 721471798 /nfs/dbraw/zinc/47/17/98/721471798.db2.gz YYYRMKIVBBWJGJ-UHFFFAOYSA-N 0 0 474.914 4.769 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164891442 721474492 /nfs/dbraw/zinc/47/44/92/721474492.db2.gz CHSFVMOQNYWOTM-JOCHJYFZSA-N 0 0 475.902 4.524 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164892676 721475264 /nfs/dbraw/zinc/47/52/64/721475264.db2.gz HJJXQDUWFQGGAO-HSZRJFAPSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164892489 721476188 /nfs/dbraw/zinc/47/61/88/721476188.db2.gz GDYTYURXRIJXCF-LJQANCHMSA-N 0 0 474.861 4.855 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164896449 721476307 /nfs/dbraw/zinc/47/63/07/721476307.db2.gz WJLQYEXKUNQPTR-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)Cc2cnn(C)c21 ZINC001164793733 721477492 /nfs/dbraw/zinc/47/74/92/721477492.db2.gz YIBLMFHVCKRGBE-KRWDZBQOSA-N 0 0 490.938 4.607 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164892684 721485492 /nfs/dbraw/zinc/48/54/92/721485492.db2.gz BDUZVPZBGATYHP-YKSBVNFPSA-N 0 0 475.967 4.624 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164893227 721486211 /nfs/dbraw/zinc/48/62/11/721486211.db2.gz BTMPRSLWRRDCTC-CQSZACIVSA-N 0 0 463.319 4.816 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2Cc3nccn3C[C@H](Cn3cccn3)C2)cnc1Cl ZINC001164899672 721487776 /nfs/dbraw/zinc/48/77/76/721487776.db2.gz ZTBZRBPWNXWHGK-INIZCTEOSA-N 0 0 472.902 4.816 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164791097 721488574 /nfs/dbraw/zinc/48/85/74/721488574.db2.gz AOXDPDOTKVJMTD-NYHFZMIOSA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164900225 721489662 /nfs/dbraw/zinc/48/96/62/721489662.db2.gz NPVMVCJJGJHQCO-ZDUSSCGKSA-N 0 0 485.362 4.526 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)c(Cl)nn2)c1 ZINC001164899338 721491110 /nfs/dbraw/zinc/49/11/10/721491110.db2.gz JTIAHZXHWXTLFD-SFHVURJKSA-N 0 0 490.982 4.695 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164900251 721492464 /nfs/dbraw/zinc/49/24/64/721492464.db2.gz NUZMIVPZAYQNBZ-SFHVURJKSA-N 0 0 463.960 4.512 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164895098 721502690 /nfs/dbraw/zinc/50/26/90/721502690.db2.gz ALFJVMFLOQAALY-FQEVSTJZSA-N 0 0 496.961 4.629 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164896823 721504750 /nfs/dbraw/zinc/50/47/50/721504750.db2.gz KIJISTVDMWZIDU-LBPRGKRZSA-N 0 0 461.727 4.624 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164897390 721505732 /nfs/dbraw/zinc/50/57/32/721505732.db2.gz LLOPFEMWMKWBKQ-QGZVFWFLSA-N 0 0 487.913 4.519 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795252 721506618 /nfs/dbraw/zinc/50/66/18/721506618.db2.gz IVCDMGKLFMLELO-VGSWGCGISA-N 0 0 457.912 4.817 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164802331 721559611 /nfs/dbraw/zinc/55/96/11/721559611.db2.gz IBYMPASVKCAJHH-ZCNNSNEGSA-N 0 0 494.373 4.745 20 0 JJADRN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809387 721565102 /nfs/dbraw/zinc/56/51/02/721565102.db2.gz WVCZUNBXPIKQJJ-JXQFQVJHSA-N 0 0 473.404 4.813 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@H]12 ZINC001164809865 721568690 /nfs/dbraw/zinc/56/86/90/721568690.db2.gz XQAZFIIJVSISSU-BDTNDASRSA-N 0 0 458.940 4.696 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c(Cl)n1 ZINC001164903006 721571951 /nfs/dbraw/zinc/57/19/51/721571951.db2.gz OCGDVNQRPVIYIB-FSWDVZBNSA-N 0 0 481.902 4.697 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807991 721574580 /nfs/dbraw/zinc/57/45/80/721574580.db2.gz UHCFIKHUQCSBSH-BBWFWOEESA-N 0 0 477.770 4.850 20 0 JJADRN COc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806659 721576797 /nfs/dbraw/zinc/57/67/97/721576797.db2.gz QOCWXCFPDLRNFD-LSQMVHIFSA-N 0 0 487.629 4.630 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164903225 721577574 /nfs/dbraw/zinc/57/75/74/721577574.db2.gz OUVQVOKAJHFWJV-GOSISDBHSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164901099 721577618 /nfs/dbraw/zinc/57/76/18/721577618.db2.gz BWXFPJUOGRGMMH-SFHVURJKSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164904504 721577676 /nfs/dbraw/zinc/57/76/76/721577676.db2.gz VQUOFHHIIJMDMZ-QGZVFWFLSA-N 0 0 475.367 4.697 20 0 JJADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809628 721578590 /nfs/dbraw/zinc/57/85/90/721578590.db2.gz UGLQPNVLWQLLBD-DPLHUUCSSA-N 0 0 463.651 4.532 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164809588 721578644 /nfs/dbraw/zinc/57/86/44/721578644.db2.gz UAJDLUYJNKAAJZ-ZWEKWIFMSA-N 0 0 469.564 4.699 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164812295 721578957 /nfs/dbraw/zinc/57/89/57/721578957.db2.gz ZYPZHFDUFJUYMC-QTEQDKRBSA-N 0 0 477.659 4.991 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Oc1ccc(Cl)nc1Cl ZINC001164904533 721579012 /nfs/dbraw/zinc/57/90/12/721579012.db2.gz RCWHQINQMUJFPQ-MRXNPFEDSA-N 0 0 491.366 4.577 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810757 721580497 /nfs/dbraw/zinc/58/04/97/721580497.db2.gz WBNXHVPKUCCPMS-ZRBLBEILSA-N 0 0 485.966 4.605 20 0 JJADRN CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801647 721589582 /nfs/dbraw/zinc/58/95/82/721589582.db2.gz FDYKQUMPJNSXLR-SSPYTLHUSA-N 0 0 480.012 4.748 20 0 JJADRN CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801634 721589742 /nfs/dbraw/zinc/58/97/42/721589742.db2.gz FDYKQUMPJNSXLR-JCTONOIOSA-N 0 0 480.012 4.748 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)Oc2ccccc21 ZINC001164803476 721593278 /nfs/dbraw/zinc/59/32/78/721593278.db2.gz WIHHHNONNFTAIH-MRXNPFEDSA-N 0 0 478.971 4.682 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164798568 721593313 /nfs/dbraw/zinc/59/33/13/721593313.db2.gz KCWRZZVSTQYDOL-SBUREZEXSA-N 0 0 461.965 4.683 20 0 JJADRN COc1cc(C(F)(F)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)nc(Cl)n1 ZINC001164797358 721593609 /nfs/dbraw/zinc/59/36/09/721593609.db2.gz GKQYXBMBMHLHFG-MRXNPFEDSA-N 0 0 494.970 4.504 20 0 JJADRN COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 ZINC001164800741 721593630 /nfs/dbraw/zinc/59/36/30/721593630.db2.gz PFLKNSOYVXNXLU-INIZCTEOSA-N 0 0 494.970 4.504 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164802097 721599788 /nfs/dbraw/zinc/59/97/88/721599788.db2.gz QULHKEJILUZFDG-UHFFFAOYSA-N 0 0 454.308 4.625 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)n1 ZINC001164797525 721600468 /nfs/dbraw/zinc/60/04/68/721600468.db2.gz CDMUHZVWGHZBPX-JXFKEZNVSA-N 0 0 454.974 4.924 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164802945 721600818 /nfs/dbraw/zinc/60/08/18/721600818.db2.gz UGELBDNCZZIMPX-VAVYLYDRSA-N 0 0 469.633 4.562 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164799703 721601284 /nfs/dbraw/zinc/60/12/84/721601284.db2.gz JTCVVNXNLFQKQQ-HTAPYJJXSA-N 0 0 459.928 4.750 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164804986 721601302 /nfs/dbraw/zinc/60/13/02/721601302.db2.gz ZEDPWKCYPGPHSS-JXFKEZNVSA-N 0 0 457.352 4.941 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798273 721601510 /nfs/dbraw/zinc/60/15/10/721601510.db2.gz DDTPXXKFMJOLQN-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164797444 721601667 /nfs/dbraw/zinc/60/16/67/721601667.db2.gz AIZVVTCQKUALRD-PGRDOPGGSA-N 0 0 475.927 4.857 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164797445 721601702 /nfs/dbraw/zinc/60/17/02/721601702.db2.gz AIZVVTCQKUALRD-XMSQKQJNSA-N 0 0 475.927 4.857 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C3)c1 ZINC001164804387 721601710 /nfs/dbraw/zinc/60/17/10/721601710.db2.gz YJVOGSQGBBVIPD-AVRDEDQJSA-N 0 0 480.943 4.899 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164801102 721601885 /nfs/dbraw/zinc/60/18/85/721601885.db2.gz NUSNBIVJMCXPPV-KKSFZXQISA-N 0 0 479.984 4.897 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164801284 721603646 /nfs/dbraw/zinc/60/36/46/721603646.db2.gz PNHFYAJLVPDFCL-GOSISDBHSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164797556 721603743 /nfs/dbraw/zinc/60/37/43/721603743.db2.gz BWDQARHHWVVVFI-INIZCTEOSA-N 0 0 462.928 4.858 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164797530 721603857 /nfs/dbraw/zinc/60/38/57/721603857.db2.gz BIXANXRYAWPCHJ-IBGZPJMESA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1)C1(c2ccc(Cl)nc2)CC1 ZINC001164801265 721604175 /nfs/dbraw/zinc/60/41/75/721604175.db2.gz PINQKHHVCMTRPZ-LJQANCHMSA-N 0 0 463.956 4.952 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164797552 721605438 /nfs/dbraw/zinc/60/54/38/721605438.db2.gz BUXSNMHTBIPWJP-GOSISDBHSA-N 0 0 490.725 4.736 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164797554 721605526 /nfs/dbraw/zinc/60/55/26/721605526.db2.gz BVOAOJHISIEBNX-IBGZPJMESA-N 0 0 455.292 4.687 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803760 721607328 /nfs/dbraw/zinc/60/73/28/721607328.db2.gz KKDHSWMOPISZES-GGAORHGYSA-N 0 0 474.939 4.598 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)c1 ZINC001165010791 721691460 /nfs/dbraw/zinc/69/14/60/721691460.db2.gz XFTHGIUBKNJWRZ-FIKMYACPSA-N 0 0 482.984 4.800 20 0 JJADRN C[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008881 721692294 /nfs/dbraw/zinc/69/22/94/721692294.db2.gz LLBFNQLZMUZOKT-WIBUTAKZSA-N 0 0 468.957 4.671 20 0 JJADRN C[C@@H]1CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007880 721692301 /nfs/dbraw/zinc/69/23/01/721692301.db2.gz GGCXIPIAIJAWBX-JOTOCRJQSA-N 0 0 487.334 4.611 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009694 721692356 /nfs/dbraw/zinc/69/23/56/721692356.db2.gz QWEYFSNCENYZOZ-BVZALQNUSA-N 0 0 476.955 4.653 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001165008217 721717077 /nfs/dbraw/zinc/71/70/77/721717077.db2.gz CQZAVZZZSQRFDB-UHFFFAOYSA-N 0 0 490.986 4.701 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)C2 ZINC001165012012 721717322 /nfs/dbraw/zinc/71/73/22/721717322.db2.gz YODKJUZYFCLVAC-UHFFFAOYSA-N 0 0 466.033 4.518 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001165008135 721726406 /nfs/dbraw/zinc/72/64/06/721726406.db2.gz JXTHELTVUMYBFX-UZTOHYMASA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001165008140 721726630 /nfs/dbraw/zinc/72/66/30/721726630.db2.gz JXTHELTVUMYBFX-WINIVTDRSA-N 0 0 481.710 4.639 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1nc(Cl)ncc1Cl)C[C@@H]2c1ccccc1 ZINC001164910582 721739740 /nfs/dbraw/zinc/73/97/40/721739740.db2.gz GMWDENHLMLLVDU-VGOFRKELSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccc(F)c(Cl)n1)C[C@H]2c1ccccc1 ZINC001164912801 721740180 /nfs/dbraw/zinc/74/01/80/721740180.db2.gz QGOLARWDOFNFIO-MBSDFSHPSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(Cl)ncc1F)C[C@H]2c1ccccc1 ZINC001164913147 721740686 /nfs/dbraw/zinc/74/06/86/721740686.db2.gz UKPCWZNXYVSVLY-CVDCTZTESA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)c(F)c1)C[C@@H]2c1ccccc1 ZINC001164910817 721741005 /nfs/dbraw/zinc/74/10/05/721741005.db2.gz HVVSFWYJODEPEN-AUSIDOKSSA-N 0 0 472.898 4.841 20 0 JJADRN Cc1nc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc(Cl)c1C ZINC001164912890 721741900 /nfs/dbraw/zinc/74/19/00/721741900.db2.gz QWIRXPKGPVVYEU-HYBUGGRVSA-N 0 0 483.950 4.714 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164910935 721756003 /nfs/dbraw/zinc/75/60/03/721756003.db2.gz UROXRZGQYBQOOQ-UHFFFAOYSA-N 0 0 452.002 4.514 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164912548 721761854 /nfs/dbraw/zinc/76/18/54/721761854.db2.gz ZJTAJWIUJZCCSW-UHFFFAOYSA-N 0 0 480.012 4.590 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)C2 ZINC001164910527 721766319 /nfs/dbraw/zinc/76/63/19/721766319.db2.gz HNWNPJMXUHNGHW-UHFFFAOYSA-N 0 0 487.435 4.956 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)c(Cl)nn1 ZINC001165018983 721773402 /nfs/dbraw/zinc/77/34/02/721773402.db2.gz VGEGCXUXMJDXML-DNVCBOLYSA-N 0 0 488.922 4.685 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001165016347 721773419 /nfs/dbraw/zinc/77/34/19/721773419.db2.gz PDSGFIVBSYARSQ-LIRRHRJNSA-N 0 0 476.886 4.815 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165015127 721773458 /nfs/dbraw/zinc/77/34/58/721773458.db2.gz JAYVKDIMPZNLPT-YLJYHZDGSA-N 0 0 472.923 4.984 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)cc1 ZINC001165017029 721773580 /nfs/dbraw/zinc/77/35/80/721773580.db2.gz QPXZACBEFKYVSW-YLJYHZDGSA-N 0 0 472.923 4.984 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165015124 721773622 /nfs/dbraw/zinc/77/36/22/721773622.db2.gz JAYVKDIMPZNLPT-FXAWDEMLSA-N 0 0 472.923 4.984 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001165017026 721773684 /nfs/dbraw/zinc/77/36/84/721773684.db2.gz QPXZACBEFKYVSW-XLIONFOSSA-N 0 0 472.923 4.984 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165015125 721773736 /nfs/dbraw/zinc/77/37/36/721773736.db2.gz JAYVKDIMPZNLPT-PXNSSMCTSA-N 0 0 472.923 4.984 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165020141 721779466 /nfs/dbraw/zinc/77/94/66/721779466.db2.gz MSAGKFAIKYJTGI-FHWLQOOXSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914240 721802960 /nfs/dbraw/zinc/80/29/60/721802960.db2.gz BHPRDMSCJDCBEA-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915093 721807117 /nfs/dbraw/zinc/80/71/17/721807117.db2.gz HWVFDQUIVZPKTQ-SIKLNZKXSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917404 721807310 /nfs/dbraw/zinc/80/73/10/721807310.db2.gz WHSGJVVYMABYQT-FOIQADDNSA-N 0 0 464.925 4.615 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917343 721807632 /nfs/dbraw/zinc/80/76/32/721807632.db2.gz VCYJQRYQUTVGQW-KDYSTLNUSA-N 0 0 487.629 4.632 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918186 721807948 /nfs/dbraw/zinc/80/79/48/721807948.db2.gz PJZIICDOGJFSEL-AOMKIAJQSA-N 0 0 476.886 4.693 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919166 721807964 /nfs/dbraw/zinc/80/79/64/721807964.db2.gz WDCWRMJRLOIOGS-AUSIDOKSSA-N 0 0 472.923 4.862 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164916327 721808331 /nfs/dbraw/zinc/80/83/31/721808331.db2.gz GZEYMUKOKUXIGQ-AVRDEDQJSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917251 721808735 /nfs/dbraw/zinc/80/87/35/721808735.db2.gz MBJDRPBASXPIOJ-HZUKXOBISA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918506 721809141 /nfs/dbraw/zinc/80/91/41/721809141.db2.gz QTCXHTDOABECSX-SGIREYDYSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164919514 721809413 /nfs/dbraw/zinc/80/94/13/721809413.db2.gz YTJYLKQRXQULTA-XWFZLUIHSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918799 721811022 /nfs/dbraw/zinc/81/10/22/721811022.db2.gz SXASVHOVFGLXOO-DKZVUGQWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164918802 721811050 /nfs/dbraw/zinc/81/10/50/721811050.db2.gz SXASVHOVFGLXOO-ZWDAVXSWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164918800 721811203 /nfs/dbraw/zinc/81/12/03/721811203.db2.gz SXASVHOVFGLXOO-GTCCEBARSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917082 721811481 /nfs/dbraw/zinc/81/14/81/721811481.db2.gz KGOUXIZWOSCORZ-LKUPVBHCSA-N 0 0 492.979 4.999 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001164917738 721816725 /nfs/dbraw/zinc/81/67/25/721816725.db2.gz HFWXXTAKORTHQN-UHFFFAOYSA-N 0 0 453.590 4.760 20 0 JJADRN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCC4(CC3)c3ncc(C)n3CCN4C)n2)cc1 ZINC001164917162 721816763 /nfs/dbraw/zinc/81/67/63/721816763.db2.gz COASPBTYKJWANB-UHFFFAOYSA-N 0 0 489.023 4.905 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164919395 721821963 /nfs/dbraw/zinc/82/19/63/721821963.db2.gz POSCUIQJUSTCEU-UHFFFAOYSA-N 0 0 463.985 4.954 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)Nc2c3cccc2F)n1 ZINC001165023807 721833007 /nfs/dbraw/zinc/83/30/07/721833007.db2.gz VIABIHBTFQZXEF-UHFFFAOYSA-N 0 0 467.614 4.779 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC3)C(=O)Nc3c4cccc3F)c2c1C ZINC001165020864 721833026 /nfs/dbraw/zinc/83/30/26/721833026.db2.gz DXYDNUJXKKPVEM-UHFFFAOYSA-N 0 0 479.625 4.923 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001165023777 721833189 /nfs/dbraw/zinc/83/31/89/721833189.db2.gz UXSZRKKQEQRLJG-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN CCOC(=O)C1(F)CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC001165018004 721834822 /nfs/dbraw/zinc/83/48/22/721834822.db2.gz PFPZNCFZMYKOGA-QGZVFWFLSA-N 0 0 474.646 4.674 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164926862 721835292 /nfs/dbraw/zinc/83/52/92/721835292.db2.gz SSTLKGXFSFSQNT-QVKFZJNVSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164923944 721835960 /nfs/dbraw/zinc/83/59/60/721835960.db2.gz LBGIJYAIHVSUCE-QKKBWIMNSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164928159 721837503 /nfs/dbraw/zinc/83/75/03/721837503.db2.gz WXRMKZYLFAYFDK-VGSWGCGISA-N 0 0 475.927 4.594 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2nc(Cl)c3ccccc3n2)CC1 ZINC001165023473 721838353 /nfs/dbraw/zinc/83/83/53/721838353.db2.gz ZAGDDSWWRSBXEX-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164923217 721841043 /nfs/dbraw/zinc/84/10/43/721841043.db2.gz UDPBWQLGBTZMMC-GAJHUEQPSA-N 0 0 490.913 4.546 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001165021996 721842897 /nfs/dbraw/zinc/84/28/97/721842897.db2.gz LQKUVYYHZQMLSP-UHFFFAOYSA-N 0 0 475.367 4.532 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001165033960 721879893 /nfs/dbraw/zinc/87/98/93/721879893.db2.gz ZXSPTZXNWWCCNM-UHFFFAOYSA-N 0 0 464.271 4.692 20 0 JJADRN Fc1ccc(OC2CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC2)c(Cl)c1 ZINC001165033850 721879939 /nfs/dbraw/zinc/87/99/39/721879939.db2.gz WINYERYNDSTPBH-UHFFFAOYSA-N 0 0 452.961 4.875 20 0 JJADRN CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164934694 721894583 /nfs/dbraw/zinc/89/45/83/721894583.db2.gz SATVAJZLSWIWSL-JKSUJKDBSA-N 0 0 460.834 4.560 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]21)NC1CCC1 ZINC001164930518 721895550 /nfs/dbraw/zinc/89/55/50/721895550.db2.gz BXHQUHBHXCLNPL-COPCDDAFSA-N 0 0 475.967 4.847 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]21)NC1CCC1 ZINC001164934944 721897434 /nfs/dbraw/zinc/89/74/34/721897434.db2.gz UQMUKPWMRDIVNL-VPKVUBIPSA-N 0 0 493.957 4.986 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164931589 721898069 /nfs/dbraw/zinc/89/80/69/721898069.db2.gz FGOVFATZRLVETC-LRXVAGHRSA-N 0 0 490.982 4.550 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164927522 721898281 /nfs/dbraw/zinc/89/82/81/721898281.db2.gz IYXFNJNGFZQCHS-OAQYLSRUSA-N 0 0 475.952 4.532 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928451 721898855 /nfs/dbraw/zinc/89/88/55/721898855.db2.gz OPMGFBMHOCWPIV-QHCPKHFHSA-N 0 0 467.907 4.897 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930082 721899381 /nfs/dbraw/zinc/89/93/81/721899381.db2.gz ZGDYALSUTANSPA-XMMPIXPASA-N 0 0 468.935 4.904 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164935455 721910694 /nfs/dbraw/zinc/91/06/94/721910694.db2.gz LFUOSRDJRJOVEP-DOMZBBRYSA-N 0 0 481.305 4.972 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164935969 721910732 /nfs/dbraw/zinc/91/07/32/721910732.db2.gz QKQHEPSGVSYRNZ-WBMJQRKESA-N 0 0 481.305 4.972 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164934963 721910748 /nfs/dbraw/zinc/91/07/48/721910748.db2.gz AHJLTGLDLHXENO-WBMJQRKESA-N 0 0 481.305 4.972 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164940031 721911188 /nfs/dbraw/zinc/91/11/88/721911188.db2.gz WUGAWNOTJOXKQA-KUHUBIRLSA-N 0 0 490.888 4.971 20 0 JJADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937358 721915631 /nfs/dbraw/zinc/91/56/31/721915631.db2.gz CKWFLXPLAQRXFV-UHFFFAOYSA-N 0 0 470.911 4.678 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938238 721916133 /nfs/dbraw/zinc/91/61/33/721916133.db2.gz JXIZKHIYWAVBJY-UHFFFAOYSA-N 0 0 460.941 4.860 20 0 JJADRN O=C(CO[C@@H]1CO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1)N1CCCC1 ZINC001164939590 721919675 /nfs/dbraw/zinc/91/96/75/721919675.db2.gz VEKJMFZCQPMVPA-RDPSFJRHSA-N 0 0 498.014 4.704 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164942432 721940665 /nfs/dbraw/zinc/94/06/65/721940665.db2.gz MAKHWNBEESBDBQ-DNQXCXABSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164942434 721940867 /nfs/dbraw/zinc/94/08/67/721940867.db2.gz MAKHWNBEESBDBQ-RPWUZVMVSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C[C@@H]21 ZINC001164941523 721941185 /nfs/dbraw/zinc/94/11/85/721941185.db2.gz ICNIYNBRBLVHHN-RRPNLBNLSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@H]21 ZINC001164950920 721959273 /nfs/dbraw/zinc/95/92/73/721959273.db2.gz XYFRAGGQPMAICI-PKTZIBPZSA-N 0 0 473.602 4.567 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@H]21 ZINC001164942384 721962011 /nfs/dbraw/zinc/96/20/11/721962011.db2.gz BKPBELJEOZEWCY-IRLDBZIGSA-N 0 0 490.938 4.521 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]12 ZINC001164947887 721966207 /nfs/dbraw/zinc/96/62/07/721966207.db2.gz RXXQXHHNEPTCAR-NZQKXSOJSA-N 0 0 474.914 4.736 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)n1 ZINC001164949915 721967220 /nfs/dbraw/zinc/96/72/20/721967220.db2.gz ZITIEPDWXRBJGP-LXFBAYGMSA-N 0 0 491.705 4.919 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]12 ZINC001164949811 721967343 /nfs/dbraw/zinc/96/73/43/721967343.db2.gz YUQDRTPLEYJTBX-URXFXBBRSA-N 0 0 483.950 4.506 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)n1 ZINC001164949910 721967414 /nfs/dbraw/zinc/96/74/14/721967414.db2.gz ZITIEPDWXRBJGP-FIPFOOKPSA-N 0 0 491.705 4.919 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]12 ZINC001164949799 721967633 /nfs/dbraw/zinc/96/76/33/721967633.db2.gz YSVPVXLFGRTJIK-XUZZJYLKSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@H]12 ZINC001164949882 721967960 /nfs/dbraw/zinc/96/79/60/721967960.db2.gz ZFVORDJLBYTUHU-PXNSSMCTSA-N 0 0 456.320 4.582 20 0 JJADRN Cc1ccc(Cl)c(O[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)C2)c1 ZINC001165050790 721980158 /nfs/dbraw/zinc/98/01/58/721980158.db2.gz WRCGPYNFISDSME-AWEZNQCLSA-N 0 0 465.349 4.693 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164946409 721981986 /nfs/dbraw/zinc/98/19/86/721981986.db2.gz FHKSIQIYNMYREO-UHFFFAOYSA-N 0 0 486.950 4.511 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001164952265 722003838 /nfs/dbraw/zinc/00/38/38/722003838.db2.gz MATCFURWBVCMNH-RTWAWAEBSA-N 0 0 483.019 4.822 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001164951156 722004879 /nfs/dbraw/zinc/00/48/79/722004879.db2.gz HAKMXDQGMAHRPW-KBPBESRZSA-N 0 0 450.320 4.591 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164953573 722005973 /nfs/dbraw/zinc/00/59/73/722005973.db2.gz RJSXYDVRZNXTHM-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164951834 722006134 /nfs/dbraw/zinc/00/61/34/722006134.db2.gz JOIDRSJLWFWEIE-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164954027 722006673 /nfs/dbraw/zinc/00/66/73/722006673.db2.gz VAMLWFNDTMZEPI-UHFFFAOYSA-N 0 0 465.335 4.540 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)c(F)c2)C3)n1 ZINC001164963352 722026645 /nfs/dbraw/zinc/02/66/45/722026645.db2.gz SJXVKEHASQPHBA-PZJWPPBQSA-N 0 0 455.908 4.715 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1Cl ZINC001164963400 722026920 /nfs/dbraw/zinc/02/69/20/722026920.db2.gz SSBWXZDFTOWLIS-UNMCSNQZSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164961463 722027013 /nfs/dbraw/zinc/02/70/13/722027013.db2.gz OBPQOWSXSVNGBW-LAUBAEHRSA-N 0 0 487.378 4.710 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164959001 722028372 /nfs/dbraw/zinc/02/83/72/722028372.db2.gz HJSLYZFSCRVGHZ-ZACQAIPSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164958948 722028505 /nfs/dbraw/zinc/02/85/05/722028505.db2.gz HEJZWTSBVNJHOP-BBWFWOEESA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164957244 722028512 /nfs/dbraw/zinc/02/85/12/722028512.db2.gz AQJZTRLCKQENEH-QKNQBKEWSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164962672 722028926 /nfs/dbraw/zinc/02/89/26/722028926.db2.gz YQDNZRWVYBDHTC-ZACQAIPSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164958290 722029698 /nfs/dbraw/zinc/02/96/98/722029698.db2.gz OMJARDCKDAAYSS-VAMGGRTRSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164958294 722030052 /nfs/dbraw/zinc/03/00/52/722030052.db2.gz OMJARDCKDAAYSS-ZCNNSNEGSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164957436 722030383 /nfs/dbraw/zinc/03/03/83/722030383.db2.gz LZZFNZLQGMPFDI-QRQLOZEOSA-N 0 0 465.859 4.889 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164961565 722033853 /nfs/dbraw/zinc/03/38/53/722033853.db2.gz WIJIUSXGRWHAPD-ZJSXRUAMSA-N 0 0 484.934 4.755 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164956519 722035094 /nfs/dbraw/zinc/03/50/94/722035094.db2.gz HNFKVLHEOUTKLA-CYFREDJKSA-N 0 0 484.934 4.755 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164956514 722035386 /nfs/dbraw/zinc/03/53/86/722035386.db2.gz HJMGSUZNUSTOOC-YKSBVNFPSA-N 0 0 483.950 4.578 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164956076 722035643 /nfs/dbraw/zinc/03/56/43/722035643.db2.gz BOQUOTVWVWASRE-XMSQKQJNSA-N 0 0 474.964 4.936 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164956071 722035666 /nfs/dbraw/zinc/03/56/66/722035666.db2.gz BOQUOTVWVWASRE-AVRDEDQJSA-N 0 0 474.964 4.936 20 0 JJADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)C[C@H]21 ZINC001164960896 722040018 /nfs/dbraw/zinc/04/00/18/722040018.db2.gz KFLUGPRADUBSHS-LAQFHYBYSA-N 0 0 474.861 4.568 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3O2)n1 ZINC001164959683 722042393 /nfs/dbraw/zinc/04/23/93/722042393.db2.gz JADWNWGYPYPFPM-FNHZYXHNSA-N 0 0 464.875 4.614 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)c2ccccc21 ZINC001164956927 722047545 /nfs/dbraw/zinc/04/75/45/722047545.db2.gz DZAFSIOEZVLYMH-QRWLVFNGSA-N 0 0 497.933 4.778 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956964 722049594 /nfs/dbraw/zinc/04/95/94/722049594.db2.gz FXHRPPAIRWMJKY-UHFFFAOYSA-N 0 0 476.318 4.817 20 0 JJADRN Fc1cc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)cnc1Cl ZINC001164959177 722049739 /nfs/dbraw/zinc/04/97/39/722049739.db2.gz PQGMKKQASUGXOV-UHFFFAOYSA-N 0 0 458.875 4.908 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)cc1 ZINC001164965489 722065779 /nfs/dbraw/zinc/06/57/79/722065779.db2.gz KJPBLBLXMZPVIX-OALUTQOASA-N 0 0 475.952 4.600 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164965812 722067054 /nfs/dbraw/zinc/06/70/54/722067054.db2.gz OKBSOFVVWWCJQB-UHFFFAOYSA-N 0 0 491.995 4.789 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164967996 722078633 /nfs/dbraw/zinc/07/86/33/722078633.db2.gz OBPLALQYTFKZJB-UHFFFAOYSA-N 0 0 457.908 4.999 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)Cc3ccccc3CNC4=O)c(Cl)nn2)c1 ZINC001164968265 722078661 /nfs/dbraw/zinc/07/86/61/722078661.db2.gz YSYKJEPITRIJPF-UHFFFAOYSA-N 0 0 498.961 4.810 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]21 ZINC001164969473 722080221 /nfs/dbraw/zinc/08/02/21/722080221.db2.gz KTZBZYPROMCQDD-PMVMPFDFSA-N 0 0 485.966 4.659 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969708 722082404 /nfs/dbraw/zinc/08/24/04/722082404.db2.gz RDTYICPLLGOLRI-FGZHOGPDSA-N 0 0 489.925 4.826 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969455 722083066 /nfs/dbraw/zinc/08/30/66/722083066.db2.gz OGIUVIFQZYRDJA-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCc4onc(COc5ccccn5)c4C3)c2c1C ZINC001164968670 722083069 /nfs/dbraw/zinc/08/30/69/722083069.db2.gz GILYLUPHIJYVLV-UHFFFAOYSA-N 0 0 490.633 4.819 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c2ccccc21 ZINC001164970043 722085321 /nfs/dbraw/zinc/08/53/21/722085321.db2.gz BXERGYRVYKWKHK-IRXDYDNUSA-N 0 0 499.993 4.965 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5CC(C(=O)NC6CCC6)C[C@H]5C4)c32)C1 ZINC001164978384 722085537 /nfs/dbraw/zinc/08/55/37/722085537.db2.gz YWFYSFDLPBROPX-HOJAQTOUSA-N 0 0 493.721 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FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001164972393 722089334 /nfs/dbraw/zinc/08/93/34/722089334.db2.gz GVEGHPICOCTVDP-UHFFFAOYSA-N 0 0 461.948 4.574 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2c2ccccc21 ZINC001164971823 722089630 /nfs/dbraw/zinc/08/96/30/722089630.db2.gz FBIASOFVYROEGP-NQIIRXRSSA-N 0 0 489.975 4.947 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2c2ccccc21 ZINC001164976878 722090408 /nfs/dbraw/zinc/09/04/08/722090408.db2.gz UHPFCVUQUHOAHR-CMPLNLGQSA-N 0 0 482.767 4.586 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164980223 722091911 /nfs/dbraw/zinc/09/19/11/722091911.db2.gz LSYVJGIRLKUHIF-CYFREDJKSA-N 0 0 472.992 4.837 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001164974573 722097912 /nfs/dbraw/zinc/09/79/12/722097912.db2.gz AIVDJVOOPNDMRS-ZRCGQRJVSA-N 0 0 483.950 4.888 20 0 JJADRN 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HEGOLRUOTSOCBC-IRLDBZIGSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cccc(Cl)c54)CC[C@@H]32)cs1 ZINC001164987399 722181521 /nfs/dbraw/zinc/18/15/21/722181521.db2.gz HPTMBBBNXXQKJN-ZWKOTPCHSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cncc(Sc5cccc(C)c5)n4)CC[C@@H]32)cs1 ZINC001164989902 722184522 /nfs/dbraw/zinc/18/45/22/722184522.db2.gz MMCAQNCGRLTMKD-VXKWHMMOSA-N 0 0 467.664 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(OCc5ccccc5)cc4Cl)CC[C@H]32)cs1 ZINC001164988669 722184632 /nfs/dbraw/zinc/18/46/32/722184632.db2.gz NOBPMMNJCKAOGE-DNQXCXABSA-N 0 0 485.053 4.949 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]32)cs1 ZINC001164989611 722184906 /nfs/dbraw/zinc/18/49/06/722184906.db2.gz PHAMVGHHNFXSHM-KAYWLYCHSA-N 0 0 485.657 4.855 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@@H]32)cs1 ZINC001164989612 722184921 /nfs/dbraw/zinc/18/49/21/722184921.db2.gz PHAMVGHHNFXSHM-RRPNLBNLSA-N 0 0 485.657 4.855 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[C@H]32)cs1 ZINC001164985609 722185078 /nfs/dbraw/zinc/18/50/78/722185078.db2.gz BJQYIPCCBJTXBF-UYAOXDASSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccccc5nc4N4CCCC[C@H]4C)CC[C@H]32)cs1 ZINC001164993010 722185112 /nfs/dbraw/zinc/18/51/12/722185112.db2.gz YMVDIIIUGFMKTQ-UKDVSSAZSA-N 0 0 492.693 4.643 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[C@H]32)cs1 ZINC001164986660 722185323 /nfs/dbraw/zinc/18/53/23/722185323.db2.gz GBDRIKGLSHZQKX-UYAOXDASSA-N 0 0 495.983 4.570 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)CC[C@@H]32)cs1 ZINC001164986994 722185359 /nfs/dbraw/zinc/18/53/59/722185359.db2.gz HWCUYUWYBNCMLN-PZJWPPBQSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)CC[C@H]32)cs1 ZINC001164985252 722186214 /nfs/dbraw/zinc/18/62/14/722186214.db2.gz AZMHMGTWMYWLCF-CVEARBPZSA-N 0 0 496.933 4.933 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990277 722186264 /nfs/dbraw/zinc/18/62/64/722186264.db2.gz RDUUEZGBRTYAMO-JVPBZIDWSA-N 0 0 450.052 4.587 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)cc(C5CCCCC5)n4)CC[C@H]32)cs1 ZINC001164986641 722186421 /nfs/dbraw/zinc/18/64/21/722186421.db2.gz GBBRDANZWHBAQU-NHCUHLMSSA-N 0 0 462.063 4.812 20 0 JJADRN COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164988542 722186821 /nfs/dbraw/zinc/18/68/21/722186821.db2.gz MNIQIVROFFNDKK-TZIWHRDSSA-N 0 0 459.015 4.532 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164992475 722187551 /nfs/dbraw/zinc/18/75/51/722187551.db2.gz TXYJTIBJXVPEHA-GOSISDBHSA-N 0 0 451.945 4.535 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN([C@@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164991902 722189000 /nfs/dbraw/zinc/18/90/00/722189000.db2.gz SQOJCELJINKSAH-HSZRJFAPSA-N 0 0 455.917 4.963 20 0 JJADRN 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ZINC001165002070 722249668 /nfs/dbraw/zinc/24/96/68/722249668.db2.gz VJMQBXHFUITJRC-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CN(Cc2ccccc2)CC3)cc1 ZINC001165007461 722271351 /nfs/dbraw/zinc/27/13/51/722271351.db2.gz WOTFPODSTOMLSM-VSGBNLITSA-N 0 0 454.618 4.652 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)cnc1Cl ZINC001165005928 722271395 /nfs/dbraw/zinc/27/13/95/722271395.db2.gz KLDWRIYXMOUEJZ-WOJBJXKFSA-N 0 0 450.913 4.683 20 0 JJADRN c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001165006084 722271631 /nfs/dbraw/zinc/27/16/31/722271631.db2.gz LSIFAAHKNCPAKE-WUFINQPMSA-N 0 0 454.618 4.652 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@H](OCC3CC3)[C@H]2Cc2ccccc2)c(Cl)n1 ZINC001165007004 722271643 /nfs/dbraw/zinc/27/16/43/722271643.db2.gz SVRDKHJCIOMXIA-UXHICEINSA-N 0 0 450.913 4.683 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)cs1 ZINC001165007429 722272531 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1064262402 /nfs/dbraw/zinc/26/24/02/1064262402.db2.gz DANTXRDMUGZEEK-PMACEKPBSA-N 0 0 495.565 4.801 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359714758 1064262919 /nfs/dbraw/zinc/26/29/19/1064262919.db2.gz GXQCZLZWQYZXNG-KRWDZBQOSA-N 0 0 497.562 4.837 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001359715029 1064263294 /nfs/dbraw/zinc/26/32/94/1064263294.db2.gz OBOHCNHASMAPBD-IBGZPJMESA-N 0 0 484.645 4.612 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CC1CCC(OC)CC1 ZINC001545854754 1064263645 /nfs/dbraw/zinc/26/36/45/1064263645.db2.gz LTKQJMLUEXTTJI-UAIBAWNCSA-N 0 0 467.658 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC1(c2ccccc2OC)CCC1 ZINC001545854367 1064263751 /nfs/dbraw/zinc/26/37/51/1064263751.db2.gz FMUSXBBMDVEBKJ-OALUTQOASA-N 0 0 485.698 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC[C@H](OC)C(F)(F)F ZINC001545855212 1064264153 /nfs/dbraw/zinc/26/41/53/1064264153.db2.gz SGNPLKCQBWSCKJ-POAQFYNOSA-N 0 0 481.563 4.546 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359715660 1064264333 /nfs/dbraw/zinc/26/43/33/1064264333.db2.gz IAKLDLBUKNQFBH-INIZCTEOSA-N 0 0 489.640 4.760 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001359715984 1064264646 /nfs/dbraw/zinc/26/46/46/1064264646.db2.gz RSOYHULIXPSCQZ-KRWDZBQOSA-N 0 0 494.587 4.731 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCCC1CCOCC1 ZINC001359716193 1064264740 /nfs/dbraw/zinc/26/47/40/1064264740.db2.gz YOZFGQJMWAWFSW-IBGZPJMESA-N 0 0 461.601 4.770 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1Cc1cccc(C(C)(C)O)c1 ZINC001545856623 1064264845 /nfs/dbraw/zinc/26/48/45/1064264845.db2.gz FNWKRPQYUFKLFD-UHFFFAOYSA-N 0 0 493.652 4.654 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001545856605 1064265064 /nfs/dbraw/zinc/26/50/64/1064265064.db2.gz DQWWTSOXVWGVMO-LJQANCHMSA-N 0 0 489.668 4.998 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359716336 1064265274 /nfs/dbraw/zinc/26/52/74/1064265274.db2.gz DNVSIWPPJZLDSY-UHFFFAOYSA-N 0 0 484.998 4.656 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001359717128 1064265618 /nfs/dbraw/zinc/26/56/18/1064265618.db2.gz JGLDYJXSCWYEGV-GOSISDBHSA-N 0 0 488.467 4.955 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359717093 1064265754 /nfs/dbraw/zinc/26/57/54/1064265754.db2.gz IDIUSTAATHNXIS-FQEVSTJZSA-N 0 0 462.495 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1C[C@H](OC)c1ccccc1 ZINC001545857342 1064265951 /nfs/dbraw/zinc/26/59/51/1064265951.db2.gz USSAEBKBVWSHAN-VXKWHMMOSA-N 0 0 453.631 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001545857403 1064266015 /nfs/dbraw/zinc/26/60/15/1064266015.db2.gz VUKJVRUBJCCPDW-HZPDHXFCSA-N 0 0 474.447 4.915 20 0 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CC(C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C1 ZINC001359732952 1064288513 /nfs/dbraw/zinc/28/85/13/1064288513.db2.gz ORCXLSINVJTSLH-DEOSSOPVSA-N 0 0 472.699 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ncc4n3CCCC4)CC2)n1CCCC(C)(C)C ZINC001545872787 1064288490 /nfs/dbraw/zinc/28/84/90/1064288490.db2.gz YLYNSFTUMJQQEJ-UHFFFAOYSA-N 0 0 483.705 4.940 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001545872412 1064288556 /nfs/dbraw/zinc/28/85/56/1064288556.db2.gz PDXNWKMXIULTMO-ZUEZHPSSSA-N 0 0 489.705 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCCc1ccccc1 ZINC001545872818 1064288959 /nfs/dbraw/zinc/28/89/59/1064288959.db2.gz ZMHJYLQYKXDXJG-NRFANRHFSA-N 0 0 459.585 4.701 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC(C)C)C2)n1Cc1cn(C)nc1-c1ccccc1 ZINC001545874145 1064289624 /nfs/dbraw/zinc/28/96/24/1064289624.db2.gz JTSHJEFPCOKDTQ-HXUWFJFHSA-N 0 0 477.657 4.518 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCSC2)C1 ZINC001359733332 1064290396 /nfs/dbraw/zinc/29/03/96/1064290396.db2.gz WRDLCAMWQZENCZ-IBVKSMDESA-N 0 0 472.699 4.895 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)C1 ZINC001359733337 1064290518 /nfs/dbraw/zinc/29/05/18/1064290518.db2.gz WTIJLQJLMWEUGV-ROUUACIJSA-N 0 0 471.593 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545874344 1064290495 /nfs/dbraw/zinc/29/04/95/1064290495.db2.gz OLDAIXUEFHPWHB-IBGZPJMESA-N 0 0 493.574 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCc1cccc(OC)c1 ZINC001545874396 1064290510 /nfs/dbraw/zinc/29/05/10/1064290510.db2.gz QCODEPMIMMTNTC-UHFFFAOYSA-N 0 0 481.563 4.617 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CSCCS2)C1 ZINC001359733477 1064291140 /nfs/dbraw/zinc/29/11/40/1064291140.db2.gz ZEVYXVIWZMMFMJ-ZRNYENFQSA-N 0 0 495.759 4.770 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 ZINC001545874894 1064291221 /nfs/dbraw/zinc/29/12/21/1064291221.db2.gz GGIHKDMIEPMHRB-GOSISDBHSA-N 0 0 453.608 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCSCC(F)(F)F ZINC001545874528 1064291459 /nfs/dbraw/zinc/29/14/59/1064291459.db2.gz VBISUGKACNZPOO-UHFFFAOYSA-N 0 0 489.530 4.661 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)CC1CC1 ZINC001359733903 1064291758 /nfs/dbraw/zinc/29/17/58/1064291758.db2.gz ITUUKMHPZZMDQU-QFIPXVFZSA-N 0 0 458.672 4.692 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)cs2)c1 ZINC001545874979 1064292072 /nfs/dbraw/zinc/29/20/72/1064292072.db2.gz ICRYDCBUPMAWEF-QFIPXVFZSA-N 0 0 453.539 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCOc2ccccc21 ZINC001545877469 1064293521 /nfs/dbraw/zinc/29/35/21/1064293521.db2.gz DAJUUOUFVFBVKP-HNNXBMFYSA-N 0 0 478.424 4.662 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001359734392 1064293998 /nfs/dbraw/zinc/29/39/98/1064293998.db2.gz SILZLRSGXDKQRB-FQEVSTJZSA-N 0 0 468.005 4.760 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCOC[C@H]1C ZINC001359734683 1064294461 /nfs/dbraw/zinc/29/44/61/1064294461.db2.gz ZORJAQCDWXZFLP-UZLBHIALSA-N 0 0 496.881 4.707 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOCC1CC1 ZINC001359735118 1064294522 /nfs/dbraw/zinc/29/45/22/1064294522.db2.gz GVZRBMZUNSQSHT-FCHUYYIVSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCOC[C@H]1C ZINC001359734682 1064294697 /nfs/dbraw/zinc/29/46/97/1064294697.db2.gz ZORJAQCDWXZFLP-OXQOHEQNSA-N 0 0 496.881 4.707 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccccc1 ZINC001359735484 1064295306 /nfs/dbraw/zinc/29/53/06/1064295306.db2.gz MNBTZJKHXVYNIM-CNISOWAESA-N 0 0 497.684 4.925 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2c[nH]c3ccccc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001359736159 1064295767 /nfs/dbraw/zinc/29/57/67/1064295767.db2.gz YGJCAOQIQGUJIZ-OAQYLSRUSA-N 0 0 452.603 4.918 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cnccn2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359735838 1064295901 /nfs/dbraw/zinc/29/59/01/1064295901.db2.gz SCQUFLSZUBTZDY-MJGOQNOKSA-N 0 0 459.367 4.833 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359736080 1064296020 /nfs/dbraw/zinc/29/60/20/1064296020.db2.gz WNMDSNKLGYDYLF-CTNGQTDRSA-N 0 0 469.634 4.540 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1Cc1cccc(Br)n1 ZINC001359736274 1064296468 /nfs/dbraw/zinc/29/64/68/1064296468.db2.gz ANWVXMIMGAGENM-FQEVSTJZSA-N 0 0 470.415 4.730 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359736356 1064296532 /nfs/dbraw/zinc/29/65/32/1064296532.db2.gz BWHRKJJDFHRKFE-GHTZIAJQSA-N 0 0 485.629 4.719 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCN(C)CC(F)(F)F ZINC001359736601 1064297157 /nfs/dbraw/zinc/29/71/57/1064297157.db2.gz HIVYISDNFPRIOO-LJQANCHMSA-N 0 0 459.507 4.656 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(C(F)F)c1 ZINC001545882048 1064297339 /nfs/dbraw/zinc/29/73/39/1064297339.db2.gz NRZAOSASXHJZQU-UHFFFAOYSA-N 0 0 477.600 4.966 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(Cc2c(F)cccc2F)n1CCOc1ccc(Cl)cn1 ZINC001359736604 1064297320 /nfs/dbraw/zinc/29/73/20/1064297320.db2.gz HLYUCPYELAICIE-FQEVSTJZSA-N 0 0 461.944 4.899 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001545882209 1064297729 /nfs/dbraw/zinc/29/77/29/1064297729.db2.gz RSOQCXFFEYKBPQ-DHLKQENFSA-N 0 0 497.684 4.758 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001545882132 1064297857 /nfs/dbraw/zinc/29/78/57/1064297857.db2.gz PPQHZPRWHQUXAS-HXUWFJFHSA-N 0 0 485.673 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@]1(C)CCCS1 ZINC001545883131 1064298636 /nfs/dbraw/zinc/29/86/36/1064298636.db2.gz GJDJRWZZNSMXSL-RYGJVYDSSA-N 0 0 474.502 4.502 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1Cc1sccc1C ZINC001545882993 1064298693 /nfs/dbraw/zinc/29/86/93/1064298693.db2.gz BAYJZSWGCQUDBE-UHFFFAOYSA-N 0 0 481.666 4.800 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CC1CC(F)(F)C1 ZINC001545883313 1064299300 /nfs/dbraw/zinc/29/93/00/1064299300.db2.gz LAKDDMRIYXSKBL-UHFFFAOYSA-N 0 0 481.632 4.806 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@H]1OCCC1(C)C ZINC001545883269 1064299314 /nfs/dbraw/zinc/29/93/14/1064299314.db2.gz KBZMTAQSNLFNRO-POOLCLQXSA-N 0 0 489.705 4.576 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCOCC1 ZINC001359737694 1064299541 /nfs/dbraw/zinc/29/95/41/1064299541.db2.gz DIDCVAWIJVGDRF-QPPBQGQZSA-N 0 0 469.674 4.500 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCOCC1 ZINC001359737696 1064299610 /nfs/dbraw/zinc/29/96/10/1064299610.db2.gz DIDCVAWIJVGDRF-XUZZJYLKSA-N 0 0 469.674 4.500 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCc1cccc(C)c1 ZINC001545883556 1064299875 /nfs/dbraw/zinc/29/98/75/1064299875.db2.gz SAHLCVUNAMRIAE-XXBNENTESA-N 0 0 478.468 4.768 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCCn1cc(Br)cn1 ZINC001359737828 1064300621 /nfs/dbraw/zinc/30/06/21/1064300621.db2.gz HEORXMJPCAHMSD-FQEVSTJZSA-N 0 0 491.409 4.670 20 0 JJADRN CC(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001359738115 1064301024 /nfs/dbraw/zinc/30/10/24/1064301024.db2.gz NNNVOTHWOJKZKP-UHFFFAOYSA-N 0 0 479.547 4.528 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1CCc1ccc(F)c(F)c1F ZINC001545885136 1064301906 /nfs/dbraw/zinc/30/19/06/1064301906.db2.gz NWMQIFNOENYGFJ-UHFFFAOYSA-N 0 0 463.548 4.627 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccn(C)n1 ZINC001359738656 1064302253 /nfs/dbraw/zinc/30/22/53/1064302253.db2.gz ZZLRWSZFYNWMFU-IBGZPJMESA-N 0 0 463.413 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1Cc1ccccc1F ZINC001545885354 1064302335 /nfs/dbraw/zinc/30/23/35/1064302335.db2.gz UWRGRSPOGPXNGH-UHFFFAOYSA-N 0 0 463.548 4.790 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(N(C)C)cc2)C1 ZINC001359738862 1064303521 /nfs/dbraw/zinc/30/35/21/1064303521.db2.gz FUGNGXPADGOIOJ-GOSISDBHSA-N 0 0 471.447 4.827 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2cccc(C(N)=O)c2)C1 ZINC001359738827 1064303540 /nfs/dbraw/zinc/30/35/40/1064303540.db2.gz DXZIBVQTUWLIGO-QGZVFWFLSA-N 0 0 488.455 4.593 20 0 JJADRN C[C@@H](NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)c1ccc(OCC(F)(F)F)cc1 ZINC001434868033 1064305691 /nfs/dbraw/zinc/30/56/91/1064305691.db2.gz MAEVESVQNITGAG-OAHLLOKOSA-N 0 0 450.457 4.549 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001359739287 1064306510 /nfs/dbraw/zinc/30/65/10/1064306510.db2.gz PKHRWRSOQWUUNO-JOCHJYFZSA-N 0 0 492.487 4.888 20 0 JJADRN CCCCc1nc(-c2cccc(OC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)c2)no1 ZINC001434868778 1064306488 /nfs/dbraw/zinc/30/64/88/1064306488.db2.gz FCVVNVJWSMAYOQ-UGKGYDQZSA-N 0 0 453.926 4.858 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CSCCS2)CC1 ZINC001359739310 1064307074 /nfs/dbraw/zinc/30/70/74/1064307074.db2.gz PTLZISPBEABPCC-KRWDZBQOSA-N 0 0 484.533 4.767 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C1 ZINC001359739329 1064307143 /nfs/dbraw/zinc/30/71/43/1064307143.db2.gz QGNBUBNWQHBACK-KRWDZBQOSA-N 0 0 475.565 4.520 20 0 JJADRN O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1csc(I)n1 ZINC001434873947 1064309082 /nfs/dbraw/zinc/30/90/82/1064309082.db2.gz UZFYBWLAHIIMPA-UHFFFAOYSA-N 0 0 456.255 4.545 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC001434875039 1064309552 /nfs/dbraw/zinc/30/95/52/1064309552.db2.gz VXRUDCWDGBGRSL-OXQOHEQNSA-N 0 0 458.990 4.834 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 ZINC001434874928 1064309728 /nfs/dbraw/zinc/30/97/28/1064309728.db2.gz VFPGSQMTCFUYKD-HXUWFJFHSA-N 0 0 452.482 4.923 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N1CCCc2cccc(OC(F)F)c21 ZINC001434875017 1064309746 /nfs/dbraw/zinc/30/97/46/1064309746.db2.gz MJHUFTCKZCOEII-UHFFFAOYSA-N 0 0 454.267 4.611 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001359740922 1064310162 /nfs/dbraw/zinc/31/01/62/1064310162.db2.gz ICIGPRZABKGTOY-QFIPXVFZSA-N 0 0 496.656 4.691 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(F)(F)Br)C1 ZINC001359740888 1064310175 /nfs/dbraw/zinc/31/01/75/1064310175.db2.gz HMLCWDOGMQLKBG-CQSZACIVSA-N 0 0 452.347 4.907 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001359740923 1064310227 /nfs/dbraw/zinc/31/02/27/1064310227.db2.gz IDPUDIDNBRUWQQ-UHFFFAOYSA-N 0 0 460.504 4.597 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccccc3F)n2CCn2cc(Br)cn2)CC1 ZINC001359740536 1064310263 /nfs/dbraw/zinc/31/02/63/1064310263.db2.gz YNZDDZUHNKNXRO-UHFFFAOYSA-N 0 0 461.383 4.616 20 0 JJADRN CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)c1cc2ccccc2o1 ZINC001434877987 1064310906 /nfs/dbraw/zinc/31/09/06/1064310906.db2.gz VDMPJNPGBHOJOE-IAGOWNOFSA-N 0 0 452.555 4.992 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOC(F)(F)F)C1 ZINC001359742268 1064311344 /nfs/dbraw/zinc/31/13/44/1064311344.db2.gz MOOHAOPAXWWBLB-GOSISDBHSA-N 0 0 489.583 4.801 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C1 ZINC001359742259 1064311503 /nfs/dbraw/zinc/31/15/03/1064311503.db2.gz MLGFAOGIPIQPEO-ICSRJNTNSA-N 0 0 489.064 4.972 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001359742861 1064312560 /nfs/dbraw/zinc/31/25/60/1064312560.db2.gz WGWADISRHPAWIZ-FGZHOGPDSA-N 0 0 461.601 4.973 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2cccc(F)c2I)CCCC1 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GAMGPNWGKZNBPB-UHFFFAOYSA-N 0 0 453.955 4.980 20 0 JJADRN CC(C)(CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001434918973 1064346580 /nfs/dbraw/zinc/34/65/80/1064346580.db2.gz BOEDYGPFHRENOK-UHFFFAOYSA-N 0 0 454.297 4.995 20 0 JJADRN CCCn1ccc2cc(NC(=O)c3cnn(C(C)(C)C)c3I)ccc21 ZINC001434919407 1064346663 /nfs/dbraw/zinc/34/66/63/1064346663.db2.gz FXOZKXZDPYBAAP-UHFFFAOYSA-N 0 0 450.324 4.860 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCS1 ZINC001359755091 1064347189 /nfs/dbraw/zinc/34/71/89/1064347189.db2.gz SEUKRUJTCFZXDO-RXVVDRJESA-N 0 0 499.578 4.600 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001359755204 1064347198 /nfs/dbraw/zinc/34/71/98/1064347198.db2.gz VFPYERBURRUHGD-USZFVNFHSA-N 0 0 454.659 4.766 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCCS2)CCO1 ZINC001359755247 1064347755 /nfs/dbraw/zinc/34/77/55/1064347755.db2.gz WEAGTYRNHBHTGI-PMACEKPBSA-N 0 0 495.487 4.767 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)CCS1 ZINC001359755241 1064347773 /nfs/dbraw/zinc/34/77/73/1064347773.db2.gz VZCCKEQAIPLQLB-HSZRJFAPSA-N 0 0 490.739 4.594 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCSCC(F)(F)F)CCS1 ZINC001359755330 1064347943 /nfs/dbraw/zinc/34/79/43/1064347943.db2.gz XXZAAXHUHLMIHQ-SFHVURJKSA-N 0 0 474.618 4.773 20 0 JJADRN CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(C)C)C1)c1cccnc1 ZINC001359755386 1064348474 /nfs/dbraw/zinc/34/84/74/1064348474.db2.gz ZEKGSRFXPYLVPS-JWQCQUIFSA-N 0 0 463.626 4.596 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CCS1 ZINC001359755428 1064348764 /nfs/dbraw/zinc/34/87/64/1064348764.db2.gz ABUITWGEWVKCFG-NQIIRXRSSA-N 0 0 496.146 4.522 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC=CCC2)CCO1 ZINC001359755377 1064348823 /nfs/dbraw/zinc/34/88/23/1064348823.db2.gz YZZOCKSGGOYYGJ-RXVVDRJESA-N 0 0 475.431 4.837 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cccs2)CCS1 ZINC001359755504 1064349495 /nfs/dbraw/zinc/34/94/95/1064349495.db2.gz BESWNXYAINVEAC-YLHGCELOSA-N 0 0 478.728 4.744 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001434921559 1064349690 /nfs/dbraw/zinc/34/96/90/1064349690.db2.gz OTNWAURSSFJZGI-NRFANRHFSA-N 0 0 451.439 4.983 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1 ZINC001359755646 1064350289 /nfs/dbraw/zinc/35/02/89/1064350289.db2.gz DCFRCUKUVOVYFU-UZLBHIALSA-N 0 0 476.394 4.872 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccn1 ZINC001359755594 1064350308 /nfs/dbraw/zinc/35/03/08/1064350308.db2.gz CLMOYQOATJZEOD-LAUBAEHRSA-N 0 0 487.446 4.561 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC001434922384 1064350564 /nfs/dbraw/zinc/35/05/64/1064350564.db2.gz PEWFKQJRPBQJPD-SFHVURJKSA-N 0 0 451.336 4.513 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnccc2Oc2ccccc2)c1 ZINC001434921947 1064350615 /nfs/dbraw/zinc/35/06/15/1064350615.db2.gz UYKRMIPLGPNVMW-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN COc1ccc(I)c(NC(=O)c2cccc(-c3csc(C)n3)c2)c1 ZINC001434922275 1064350640 /nfs/dbraw/zinc/35/06/40/1064350640.db2.gz YHICTKKMCMIQIC-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359755932 1064351745 /nfs/dbraw/zinc/35/17/45/1064351745.db2.gz IXQXYAGUNRUCFC-WMZOPIPTSA-N 0 0 472.939 4.553 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)ccc21 ZINC001434923657 1064352037 /nfs/dbraw/zinc/35/20/37/1064352037.db2.gz GJCXTKXYFMQKIG-UHFFFAOYSA-N 0 0 454.889 4.743 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC001434923386 1064352136 /nfs/dbraw/zinc/35/21/36/1064352136.db2.gz CAOPSOZTRVDCRI-OAQYLSRUSA-N 0 0 454.615 4.780 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001359756403 1064354253 /nfs/dbraw/zinc/35/42/53/1064354253.db2.gz QPFRXJMXLWYFIZ-TWKWOARYSA-N 0 0 451.384 4.563 20 0 JJADRN CCCN(C(=O)c1cc(Br)c(Cl)cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC001434926849 1064354431 /nfs/dbraw/zinc/35/44/31/1064354431.db2.gz WECPUXXKUIWYQZ-CYBMUJFWSA-N 0 0 453.764 4.991 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CCO1 ZINC001359756573 1064354832 /nfs/dbraw/zinc/35/48/32/1064354832.db2.gz UXDIFADXQWCTSR-MAODMQOUSA-N 0 0 496.574 4.847 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 ZINC001359756872 1064355462 /nfs/dbraw/zinc/35/54/62/1064355462.db2.gz ZMHPZVMLUCEETB-NQIIRXRSSA-N 0 0 470.415 4.800 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001434928940 1064356263 /nfs/dbraw/zinc/35/62/63/1064356263.db2.gz HATSJQFPWHNDQX-XMMPIXPASA-N 0 0 458.514 4.900 20 0 JJADRN COc1ccc(N(C)C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cn1 ZINC001434928798 1064356302 /nfs/dbraw/zinc/35/63/02/1064356302.db2.gz IDMUHKOSFLFFAI-UHFFFAOYSA-N 0 0 454.552 4.761 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001359757280 1064356951 /nfs/dbraw/zinc/35/69/51/1064356951.db2.gz FWTPDCBSAMVMRJ-OXJNMPFZSA-N 0 0 483.426 4.507 20 0 JJADRN C[C@H](CC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC001434930128 1064356930 /nfs/dbraw/zinc/35/69/30/1064356930.db2.gz KEXKOEVGZBCMAH-CQSZACIVSA-N 0 0 456.867 4.976 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001434929840 1064357026 /nfs/dbraw/zinc/35/70/26/1064357026.db2.gz OCDBZWXYJHVEIF-HSZRJFAPSA-N 0 0 450.441 4.940 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757506 1064357485 /nfs/dbraw/zinc/35/74/85/1064357485.db2.gz IEMJHNBDNXZATJ-QIJUGHKUSA-N 0 0 463.022 4.749 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001434931120 1064357648 /nfs/dbraw/zinc/35/76/48/1064357648.db2.gz RBHSMTBEESLMNM-UHFFFAOYSA-N 0 0 456.867 4.805 20 0 JJADRN O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)CC1 ZINC001434932088 1064358417 /nfs/dbraw/zinc/35/84/17/1064358417.db2.gz YEPPQSUODLFLRC-DOTOQJQBSA-N 0 0 453.316 4.750 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359757550 1064358338 /nfs/dbraw/zinc/35/83/38/1064358338.db2.gz ITGNZHUWJAWCGH-MDZRGWNJSA-N 0 0 483.476 4.694 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001359757886 1064359264 /nfs/dbraw/zinc/35/92/64/1064359264.db2.gz MHBKMYDDUQERPT-RDTXWAMCSA-N 0 0 466.533 4.513 20 0 JJADRN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001434934449 1064359939 /nfs/dbraw/zinc/35/99/39/1064359939.db2.gz TXMAZDNGRRREJM-BENRWUELSA-N 0 0 452.526 4.620 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001359758406 1064359963 /nfs/dbraw/zinc/35/99/63/1064359963.db2.gz TZRWRNFECRDQKP-DNVCBOLYSA-N 0 0 478.460 4.805 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001434933516 1064360075 /nfs/dbraw/zinc/36/00/75/1064360075.db2.gz RFKPMLMPSUMJOV-RBUKOAKNSA-N 0 0 451.405 4.860 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC001434934743 1064360589 /nfs/dbraw/zinc/36/05/89/1064360589.db2.gz IRLPXYVSBDMKEP-OAHLLOKOSA-N 0 0 459.736 4.677 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001359758532 1064360576 /nfs/dbraw/zinc/36/05/76/1064360576.db2.gz VKLQCERVKOSSQM-UZLBHIALSA-N 0 0 453.414 4.522 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1 ZINC001359758534 1064360586 /nfs/dbraw/zinc/36/05/86/1064360586.db2.gz VMLWODDYNNLBFH-KNQAVFIVSA-N 0 0 455.990 4.570 20 0 JJADRN CCN(C(=O)c1ccnc(OC2CCCCC2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434935696 1064361143 /nfs/dbraw/zinc/36/11/43/1064361143.db2.gz CNKHMROLGBCHLD-UHFFFAOYSA-N 0 0 456.486 4.753 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359759129 1064361945 /nfs/dbraw/zinc/36/19/45/1064361945.db2.gz DGIWMIRVCJHJER-ARNLJNQMSA-N 0 0 497.684 4.618 20 0 JJADRN CCN(C(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434937919 1064362681 /nfs/dbraw/zinc/36/26/81/1064362681.db2.gz QGFLTDRUVXDUPI-UHFFFAOYSA-N 0 0 457.804 4.902 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434940069 1064363369 /nfs/dbraw/zinc/36/33/69/1064363369.db2.gz UCTIKSCPSFIPCL-LDJQZATESA-N 0 0 451.405 4.534 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001359759312 1064363377 /nfs/dbraw/zinc/36/33/77/1064363377.db2.gz GJNPOPANKSIFNA-UZLBHIALSA-N 0 0 479.444 4.983 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001434941716 1064364412 /nfs/dbraw/zinc/36/44/12/1064364412.db2.gz DDGRKKQADZPKLY-KDOFPFPSSA-N 0 0 454.311 4.702 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC2)s1 ZINC001434942300 1064364423 /nfs/dbraw/zinc/36/44/23/1064364423.db2.gz GLAGUYCEJDEOPI-UHFFFAOYSA-N 0 0 455.967 4.932 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)c2c(F)ccc(C)c2Br)CC1 ZINC001434944213 1064364864 /nfs/dbraw/zinc/36/48/64/1064364864.db2.gz QUMIOMLSAKEICG-UHFFFAOYSA-N 0 0 452.320 4.597 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001359759762 1064365527 /nfs/dbraw/zinc/36/55/27/1064365527.db2.gz LLOBOQKLORMVPA-MZKRTTBSSA-N 0 0 456.606 4.875 20 0 JJADRN CSc1cc2c(cc1NC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)OCCO2 ZINC001434945972 1064366405 /nfs/dbraw/zinc/36/64/05/1064366405.db2.gz UAUJKKVSYRIUTJ-HZPDHXFCSA-N 0 0 450.601 4.982 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359760597 1064368448 /nfs/dbraw/zinc/36/84/48/1064368448.db2.gz WKTDZADXVPJYTJ-NRSPTQNISA-N 0 0 464.557 4.613 20 0 JJADRN CCOc1ccccc1[C@H](CC)NC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC001434948344 1064368948 /nfs/dbraw/zinc/36/89/48/1064368948.db2.gz BQSUTFJNHDXVKQ-SFHVURJKSA-N 0 0 454.386 4.523 20 0 JJADRN CCCC[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948228 1064368982 /nfs/dbraw/zinc/36/89/82/1064368982.db2.gz ANJPYTUQIYNRFT-JOCHJYFZSA-N 0 0 452.599 4.786 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1cnccn1 ZINC001359760612 1064369428 /nfs/dbraw/zinc/36/94/28/1064369428.db2.gz WPSMUDBLFHRMRL-KNQAVFIVSA-N 0 0 455.006 4.519 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950030 1064370497 /nfs/dbraw/zinc/37/04/97/1064370497.db2.gz PLSQUXDRYOQDIO-CYBMUJFWSA-N 0 0 455.864 4.596 20 0 JJADRN CC(C)(C)Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n(-c2ccccc2)n1 ZINC001434950484 1064371108 /nfs/dbraw/zinc/37/11/08/1064371108.db2.gz NLWZKOJIEVFWNJ-MRXNPFEDSA-N 0 0 452.505 4.731 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761109 1064371635 /nfs/dbraw/zinc/37/16/35/1064371635.db2.gz CSKHAWHRAIJFLR-ZJOUEHCJSA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001434951796 1064372779 /nfs/dbraw/zinc/37/27/79/1064372779.db2.gz CQVOKWPSMPIPEN-UHFFFAOYSA-N 0 0 451.567 4.519 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCc1ccccn1 ZINC001359761755 1064373185 /nfs/dbraw/zinc/37/31/85/1064373185.db2.gz LTRXWLVZWMSRSW-OFNKIYASSA-N 0 0 469.033 4.909 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761664 1064373208 /nfs/dbraw/zinc/37/32/08/1064373208.db2.gz KEUUUCNKMNRQKS-WIYYLYMNSA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 ZINC001359761884 1064373774 /nfs/dbraw/zinc/37/37/74/1064373774.db2.gz NDSOUPCPPOOKSZ-SCTDSRPQSA-N 0 0 483.476 4.694 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001359762063 1064374436 /nfs/dbraw/zinc/37/44/36/1064374436.db2.gz PJLJOTURRXWNAX-KCSJKLDESA-N 0 0 489.705 4.936 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359762296 1064375120 /nfs/dbraw/zinc/37/51/20/1064375120.db2.gz SQRYTJJAZJAMLW-NZQKXSOJSA-N 0 0 458.622 4.853 20 0 JJADRN CCCN(C(=O)Cc1ccc(Br)cc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001434960436 1064375847 /nfs/dbraw/zinc/37/58/47/1064375847.db2.gz HKAUSEOSBQLZLZ-UHFFFAOYSA-N 0 0 457.412 4.843 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001359762577 1064375854 /nfs/dbraw/zinc/37/58/54/1064375854.db2.gz WVNBVFOILPCBDV-LQWHRVPQSA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001359762627 1064375922 /nfs/dbraw/zinc/37/59/22/1064375922.db2.gz XJERMPIHWZZTEZ-DENIHFKCSA-N 0 0 455.006 4.519 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ncc(Br)cc1Br)O[C@@H](C)C2 ZINC001434959721 1064375938 /nfs/dbraw/zinc/37/59/38/1064375938.db2.gz XBMRDSDQXBNUDY-VIFPVBQESA-N 0 0 456.134 4.581 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001359762527 1064376030 /nfs/dbraw/zinc/37/60/30/1064376030.db2.gz VZKIVEKDZFKRAB-LZJOCLMNSA-N 0 0 495.437 4.771 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)N1c2ccccc2CC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC001434962016 1064377261 /nfs/dbraw/zinc/37/72/61/1064377261.db2.gz IZGZNEZFCCLLFY-QFIPXVFZSA-N 0 0 456.876 4.984 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001359762877 1064377398 /nfs/dbraw/zinc/37/73/98/1064377398.db2.gz ZZTGOMWBPATIBE-UTKZUKDTSA-N 0 0 495.437 4.507 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763145 1064378222 /nfs/dbraw/zinc/37/82/22/1064378222.db2.gz FOUHTBNAPMJHQI-AUSIDOKSSA-N 0 0 474.621 4.841 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359763219 1064378830 /nfs/dbraw/zinc/37/88/30/1064378830.db2.gz HHGIWDGYHNZVKF-FIXSFTCYSA-N 0 0 473.706 4.593 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(C)n1 ZINC001434963799 1064378956 /nfs/dbraw/zinc/37/89/56/1064378956.db2.gz IJBYZZFYHKVBSC-KRWDZBQOSA-N 0 0 454.615 4.533 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)nc1 ZINC001434964220 1064379684 /nfs/dbraw/zinc/37/96/84/1064379684.db2.gz VQIJOUKKSWAQLT-HSZRJFAPSA-N 0 0 451.954 4.639 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359763637 1064380432 /nfs/dbraw/zinc/38/04/32/1064380432.db2.gz NKWRNYBRSWNUPT-APTRMMRNSA-N 0 0 486.623 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCC(C)(C)c1cccc(Br)c1)CC2 ZINC001434964954 1064380531 /nfs/dbraw/zinc/38/05/31/1064380531.db2.gz HOIFHERYUSBGDY-UHFFFAOYSA-N 0 0 451.405 4.775 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC001434965633 1064380569 /nfs/dbraw/zinc/38/05/69/1064380569.db2.gz UBPYHWUUHQIYPV-IOASZLSFSA-N 0 0 459.237 4.583 20 0 JJADRN 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C[C@@H](NC(=O)CCCc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434966599 1064381965 /nfs/dbraw/zinc/38/19/65/1064381965.db2.gz BNPGVGUSXYOYSQ-SJLPKXTDSA-N 0 0 453.421 4.924 20 0 JJADRN O=C(CNC(=O)c1cc(Cl)ccc1SC1CCCC1)Nc1ccc(-n2cccn2)cc1 ZINC001434966527 1064382135 /nfs/dbraw/zinc/38/21/35/1064382135.db2.gz HJMSJQXTLXJSDD-UHFFFAOYSA-N 0 0 454.983 4.929 20 0 JJADRN CS(=O)(=O)c1ccc2c(c1)N(C(=O)C1(c3cc(C(F)(F)F)ccc3Cl)CC1)CCC2 ZINC001434966847 1064382880 /nfs/dbraw/zinc/38/28/80/1064382880.db2.gz XKJZNMWDKWYXOO-UHFFFAOYSA-N 0 0 457.901 4.773 20 0 JJADRN O=C(Nc1ccccn1)c1cccc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC001434967158 1064382992 /nfs/dbraw/zinc/38/29/92/1064382992.db2.gz GSVOXKWLPZLTEW-QGZVFWFLSA-N 0 0 452.308 4.601 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001359764424 1064383107 /nfs/dbraw/zinc/38/31/07/1064383107.db2.gz ASBIJCGZJQZHDW-IBGZPJMESA-N 0 0 494.606 4.582 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ncoc1-c1ccc(F)cc1 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ZINC001435005572 1064420423 /nfs/dbraw/zinc/42/04/23/1064420423.db2.gz XBVQKONVKAVQIX-UHFFFAOYSA-N 0 0 452.942 4.531 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4cc(Cl)ccc4OC)C3)nc2)c1 ZINC001435006106 1064421083 /nfs/dbraw/zinc/42/10/83/1064421083.db2.gz XUBULTBVEAIOQY-QGZVFWFLSA-N 0 0 453.926 4.553 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@H]3CCN(c4cc(Cl)ccc4OC)C3)nc2)c1 ZINC001435006096 1064421362 /nfs/dbraw/zinc/42/13/62/1064421362.db2.gz XUBULTBVEAIOQY-KRWDZBQOSA-N 0 0 453.926 4.553 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC001435006780 1064422000 /nfs/dbraw/zinc/42/20/00/1064422000.db2.gz PAWXQHKFQWYXRG-HXUWFJFHSA-N 0 0 458.562 4.930 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C(F)(F)c1ccccc1Br)c1ccc(SC)cc1 ZINC001435006935 1064422778 /nfs/dbraw/zinc/42/27/78/1064422778.db2.gz ACZGVKPKXNZULJ-MRXNPFEDSA-N 0 0 458.324 4.683 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 ZINC001359778567 1064423683 /nfs/dbraw/zinc/42/36/83/1064423683.db2.gz MPQJCFSSQUUGII-UHFFFAOYSA-N 0 0 459.019 4.587 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1Cc1ccc(Cl)s1 ZINC001359778450 1064423954 /nfs/dbraw/zinc/42/39/54/1064423954.db2.gz JXJPYZJMIFAEEK-UHFFFAOYSA-N 0 0 453.946 4.593 20 0 JJADRN Cn1cc(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c(-c2ccoc2)n1 ZINC001435008933 1064424480 /nfs/dbraw/zinc/42/44/80/1064424480.db2.gz LSMPYYFNAXHEFR-UHFFFAOYSA-N 0 0 451.910 4.721 20 0 JJADRN COc1ccc(F)c(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1OC ZINC001435009475 1064424532 /nfs/dbraw/zinc/42/45/32/1064424532.db2.gz PYHUHFYPFJODDO-UHFFFAOYSA-N 0 0 459.901 4.884 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359779140 1064424619 /nfs/dbraw/zinc/42/46/19/1064424619.db2.gz DHXMZWSVVJMLCI-IAGOWNOFSA-N 0 0 480.556 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)c2ccccc2C1 ZINC001435009585 1064425202 /nfs/dbraw/zinc/42/52/02/1064425202.db2.gz VXODAQYVMHDBKV-UHFFFAOYSA-N 0 0 454.477 4.548 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359779293 1064425373 /nfs/dbraw/zinc/42/53/73/1064425373.db2.gz IKASEOSUWMYVCA-UHFFFAOYSA-N 0 0 472.437 4.582 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001435010667 1064425932 /nfs/dbraw/zinc/42/59/32/1064425932.db2.gz KBLVLPYJLLLSEH-AJFLCOCNSA-N 0 0 455.643 4.773 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H](C)c2ccccc2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359779549 1064426001 /nfs/dbraw/zinc/42/60/01/1064426001.db2.gz QDXSTFUWLBXIFF-KRWDZBQOSA-N 0 0 461.536 4.637 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001435010670 1064425975 /nfs/dbraw/zinc/42/59/75/1064425975.db2.gz KBLVLPYJLLLSEH-ZVUIFXONSA-N 0 0 455.643 4.773 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001435010715 1064426053 /nfs/dbraw/zinc/42/60/53/1064426053.db2.gz LBNHOHULCOMHLC-NSHDSACASA-N 0 0 457.968 4.768 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001435011764 1064426861 /nfs/dbraw/zinc/42/68/61/1064426861.db2.gz GSFXCFNXEPHPPI-INIZCTEOSA-N 0 0 457.348 4.835 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359779705 1064427034 /nfs/dbraw/zinc/42/70/34/1064427034.db2.gz WABGFRCYLCLHRW-LWYYNNOASA-N 0 0 488.702 4.676 20 0 JJADRN COc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc(Br)c1OC ZINC001435011634 1064426974 /nfs/dbraw/zinc/42/69/74/1064426974.db2.gz ZDBGRZCOIZTKEY-UHFFFAOYSA-N 0 0 454.733 4.891 20 0 JJADRN COc1ccc(COCCCNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 ZINC001435011180 1064427038 /nfs/dbraw/zinc/42/70/38/1064427038.db2.gz CJZMIWJTMUDNGX-UHFFFAOYSA-N 0 0 451.542 4.761 20 0 JJADRN Cc1ccc(I)c(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC001435012359 1064428074 /nfs/dbraw/zinc/42/80/74/1064428074.db2.gz AEQWPSKMOMRVQW-UHFFFAOYSA-N 0 0 456.327 4.880 20 0 JJADRN Cc1sc(=O)n(CC(=O)N2CCCc3cc(Br)cc(C)c32)c1-c1ccccc1 ZINC001435012745 1064428526 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CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC(C)(C)c1ccc(F)cc1 ZINC001359782307 1064434222 /nfs/dbraw/zinc/43/42/22/1064434222.db2.gz OYUJVKZSOYAJOB-UHFFFAOYSA-N 0 0 468.602 4.940 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Br)ccc3Cl)CCC(=O)N2C)cc1 ZINC001435017246 1064434379 /nfs/dbraw/zinc/43/43/79/1064434379.db2.gz ZROCHQNBRUZQIX-DNVCBOLYSA-N 0 0 451.748 4.659 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N(C)CC(=O)Nc3cc(F)cc(F)c3)s2)cc1 ZINC001435018117 1064434886 /nfs/dbraw/zinc/43/48/86/1064434886.db2.gz UTFCJSOULZZPMD-UHFFFAOYSA-N 0 0 459.518 4.760 20 0 JJADRN CC(C)Cc1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001359782764 1064435072 /nfs/dbraw/zinc/43/50/72/1064435072.db2.gz DQMBKMKMIFYJMO-UHFFFAOYSA-N 0 0 457.525 4.852 20 0 JJADRN C[C@H](C(=O)Nc1cc(Br)ccc1Sc1nncn1C)c1ccc(F)cc1F ZINC001435018685 1064435163 /nfs/dbraw/zinc/43/51/63/1064435163.db2.gz NJQTUSKWNHQOBQ-JTQLQIEISA-N 0 0 453.312 4.749 20 0 JJADRN CCC[C@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)C(=O)N1CCc2sccc2C1 ZINC001435021276 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AYAMWBOSHQPPOP-IBGZPJMESA-N 0 0 463.667 4.518 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359787340 1064442355 /nfs/dbraw/zinc/44/23/55/1064442355.db2.gz ABMIMVONJOQIGW-JKSUJKDBSA-N 0 0 455.466 4.736 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC1(C2CC2)CC1 ZINC001359787498 1064443319 /nfs/dbraw/zinc/44/33/19/1064443319.db2.gz FACSIULVZGVYNB-UHFFFAOYSA-N 0 0 465.411 4.567 20 0 JJADRN O=C(COc1cccc(Br)c1)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435025798 1064443778 /nfs/dbraw/zinc/44/37/78/1064443778.db2.gz YHOMOJLHKNNTHE-UHFFFAOYSA-N 0 0 454.320 4.501 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)Cc2c(C)nn(-c3ccccn3)c2C)cc1 ZINC001435025950 1064443890 /nfs/dbraw/zinc/44/38/90/1064443890.db2.gz ZTDHHQDQLOKFHW-UHFFFAOYSA-N 0 0 454.574 4.707 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001435027159 1064444778 /nfs/dbraw/zinc/44/47/78/1064444778.db2.gz GSNDWXCWHMKYRB-CQSZACIVSA-N 0 0 456.867 4.661 20 0 JJADRN 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COc1ccc(/C(C)=C\C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)cc1 ZINC001435033469 1064450077 /nfs/dbraw/zinc/45/00/77/1064450077.db2.gz USATZYJJAVEKGK-CYVLTUHYSA-N 0 0 456.542 4.878 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC001435032756 1064450103 /nfs/dbraw/zinc/45/01/03/1064450103.db2.gz PMUWBKSFYGHNKA-UHFFFAOYSA-N 0 0 450.427 4.973 20 0 JJADRN CCOc1ccc(N(C(=O)[C@@H]2Cc3ccc(F)cc32)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435034584 1064451867 /nfs/dbraw/zinc/45/18/67/1064451867.db2.gz SXOQJYHVOLNSPD-JOCHJYFZSA-N 0 0 450.476 4.924 20 0 JJADRN CCOc1ccc(N(C(=O)CCc2csc(C)n2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435035015 1064451960 /nfs/dbraw/zinc/45/19/60/1064451960.db2.gz YNPIPJFUJPOXHX-UHFFFAOYSA-N 0 0 455.546 4.843 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cccc(Br)c3C2)n1Cc1ccc(OC(C)C)nc1 ZINC001359793776 1064451977 /nfs/dbraw/zinc/45/19/77/1064451977.db2.gz XORDXRSRGWGLGI-UHFFFAOYSA-N 0 0 470.415 4.990 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359794263 1064452348 /nfs/dbraw/zinc/45/23/48/1064452348.db2.gz VDOXOEKKUBRKKZ-WMLDXEAASA-N 0 0 480.453 4.622 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCc1ccc(Br)s1 ZINC001359794060 1064452703 /nfs/dbraw/zinc/45/27/03/1064452703.db2.gz ZTPOHLUJGPCEJA-MRXNPFEDSA-N 0 0 467.477 4.675 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001359795396 1064453729 /nfs/dbraw/zinc/45/37/29/1064453729.db2.gz KBRATMOMLOHINP-UHFFFAOYSA-N 0 0 453.482 4.953 20 0 JJADRN Cc1ccc(Br)nc1C(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2 ZINC001435037793 1064453799 /nfs/dbraw/zinc/45/37/99/1064453799.db2.gz MGGDKYGZOGBMCP-UHFFFAOYSA-N 0 0 456.365 4.721 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCc1csc(C(C)C)n1 ZINC001359795475 1064454264 /nfs/dbraw/zinc/45/42/64/1064454264.db2.gz JHTBNIYDBGIEOL-UHFFFAOYSA-N 0 0 457.566 4.647 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359795743 1064454292 /nfs/dbraw/zinc/45/42/92/1064454292.db2.gz NWJNGHVZCYJBGZ-HHHXNRCGSA-N 0 0 452.643 4.907 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359795749 1064454603 /nfs/dbraw/zinc/45/46/03/1064454603.db2.gz NWJNGHVZCYJBGZ-MHZLTWQESA-N 0 0 452.643 4.907 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCCO[C@H](C)c1ccccc1 ZINC001359795962 1064454615 /nfs/dbraw/zinc/45/46/15/1064454615.db2.gz QVCFTONCYWQRKY-GOSISDBHSA-N 0 0 466.548 4.992 20 0 JJADRN CCCc1c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)nnn1-c1cccc(Cl)c1 ZINC001435038420 1064454657 /nfs/dbraw/zinc/45/46/57/1064454657.db2.gz CZOSMPMHECTAFC-UHFFFAOYSA-N 0 0 458.305 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359795981 1064455470 /nfs/dbraw/zinc/45/54/70/1064455470.db2.gz RMNBITZKHAIHDC-RDPSFJRHSA-N 0 0 468.642 4.877 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCc1cccc(COC2CCOCC2)c1 ZINC001435038757 1064455454 /nfs/dbraw/zinc/45/54/54/1064455454.db2.gz KLWSGLDOQLPCCR-UHFFFAOYSA-N 0 0 452.776 4.657 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1sccc1Br ZINC001359796026 1064455532 /nfs/dbraw/zinc/45/55/32/1064455532.db2.gz SMQRIMBYQPFSCL-UHFFFAOYSA-N 0 0 479.366 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359796616 1064456265 /nfs/dbraw/zinc/45/62/65/1064456265.db2.gz FZLNSNCXLVTQLC-UHFFFAOYSA-N 0 0 475.659 4.504 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H](C)Sc1ccccc1 ZINC001359796545 1064456352 /nfs/dbraw/zinc/45/63/52/1064456352.db2.gz COLJDCYWXXHETM-OAQYLSRUSA-N 0 0 469.699 4.886 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359796822 1064457100 /nfs/dbraw/zinc/45/71/00/1064457100.db2.gz LPAWVPLUDKQXKW-RTWAWAEBSA-N 0 0 469.649 4.894 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359797087 1064457956 /nfs/dbraw/zinc/45/79/56/1064457956.db2.gz UIQCAHUDIPIFBL-FIXSFTCYSA-N 0 0 473.706 4.547 20 0 JJADRN CN(C)C(=O)C1CCC(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)CC1 ZINC001435041376 1064458142 /nfs/dbraw/zinc/45/81/42/1064458142.db2.gz VFBAJZUYLFSJNL-UHFFFAOYSA-N 0 0 453.627 4.769 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCCOc1ccccc1Br ZINC001435042447 1064459022 /nfs/dbraw/zinc/45/90/22/1064459022.db2.gz FNAVIZDWJHCEMI-INIZCTEOSA-N 0 0 457.409 4.664 20 0 JJADRN O=C(CSc1ccccc1Br)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435043181 1064460009 /nfs/dbraw/zinc/46/00/09/1064460009.db2.gz ATNBEKRIWSVSJM-UHFFFAOYSA-N 0 0 452.761 4.604 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)COc3cccc4cccnc43)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797858 1064460653 /nfs/dbraw/zinc/46/06/53/1064460653.db2.gz QGFMFXWKTBNFJY-HOTGVXAUSA-N 0 0 459.468 4.885 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001359797758 1064460665 /nfs/dbraw/zinc/46/06/65/1064460665.db2.gz NFPCUAIUQUTUAV-HZPDHXFCSA-N 0 0 458.484 4.972 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435044812 1064461025 /nfs/dbraw/zinc/46/10/25/1064461025.db2.gz IUMONQVJHLJBDF-OAQYLSRUSA-N 0 0 457.452 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCc1ccccc1F ZINC001359798588 1064462293 /nfs/dbraw/zinc/46/22/93/1064462293.db2.gz LDRVEEOCLCONOU-LJQANCHMSA-N 0 0 473.637 4.988 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCC(F)(F)F ZINC001359798570 1064462312 /nfs/dbraw/zinc/46/23/12/1064462312.db2.gz KYHINPKYWUZSDG-HOTGVXAUSA-N 0 0 479.613 4.512 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)c(Cl)c1F ZINC001435046236 1064462916 /nfs/dbraw/zinc/46/29/16/1064462916.db2.gz RVQQREIQUBRZSD-LLVKDONJSA-N 0 0 451.764 4.911 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001359798778 1064463202 /nfs/dbraw/zinc/46/32/02/1064463202.db2.gz PLTIXHOUFVZSFR-SQNIBIBYSA-N 0 0 455.594 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359799052 1064463936 /nfs/dbraw/zinc/46/39/36/1064463936.db2.gz WRRWOHKANFKIAZ-UHFFFAOYSA-N 0 0 459.557 4.655 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@]1(O)CCc2ccccc21 ZINC001359798829 1064464005 /nfs/dbraw/zinc/46/40/05/1064464005.db2.gz RBPMOSRGHUHXED-IBGZPJMESA-N 0 0 476.465 4.632 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048010 1064464457 /nfs/dbraw/zinc/46/44/57/1064464457.db2.gz VIOGIHHRGAZAII-MSOLQXFVSA-N 0 0 454.924 4.604 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COc1cc(Cl)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048065 1064464597 /nfs/dbraw/zinc/46/45/97/1064464597.db2.gz AZYNFIVTLWVSMK-MZNJEOGPSA-N 0 0 458.002 4.797 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1(c2ccc(F)cc2F)CCCC1 ZINC001359799627 1064465834 /nfs/dbraw/zinc/46/58/34/1064465834.db2.gz NYXATMZNJGABJK-UHFFFAOYSA-N 0 0 454.926 4.609 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001359800169 1064466728 /nfs/dbraw/zinc/46/67/28/1064466728.db2.gz CMDVABBVRCKMBC-FQEVSTJZSA-N 0 0 471.646 4.828 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049410 1064467144 /nfs/dbraw/zinc/46/71/44/1064467144.db2.gz LWQGPFPLKPZHIA-JXQFQVJHSA-N 0 0 455.574 4.501 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049164 1064467230 /nfs/dbraw/zinc/46/72/30/1064467230.db2.gz KVODBKALSQRYRV-KNXBSLHKSA-N 0 0 457.665 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC1(C)CCOCC1 ZINC001359801515 1064468672 /nfs/dbraw/zinc/46/86/72/1064468672.db2.gz WRWQDFMGWKSUII-HSZRJFAPSA-N 0 0 461.050 4.897 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1C ZINC001435051385 1064469152 /nfs/dbraw/zinc/46/91/52/1064469152.db2.gz CNSCTLIPYKGUGN-UHFFFAOYSA-N 0 0 458.543 4.760 20 0 JJADRN Cn1c(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC001435052076 1064469855 /nfs/dbraw/zinc/46/98/55/1064469855.db2.gz KIOPIWMGTSBMFF-UHFFFAOYSA-N 0 0 455.278 4.633 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)CCCOc2ccc(I)cc2)cc1 ZINC001435051490 1064470062 /nfs/dbraw/zinc/47/00/62/1064470062.db2.gz REMNDLWILWKIRA-UHFFFAOYSA-N 0 0 451.348 4.853 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 ZINC001435051499 1064470105 /nfs/dbraw/zinc/47/01/05/1064470105.db2.gz RMAZWMCXGNFNLM-UHFFFAOYSA-N 0 0 458.543 4.593 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359802148 1064470444 /nfs/dbraw/zinc/47/04/44/1064470444.db2.gz IMUNKZVUZPDYET-JOCHJYFZSA-N 0 0 483.657 4.966 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCCn1cc(Br)cn1 ZINC001359802977 1064471391 /nfs/dbraw/zinc/47/13/91/1064471391.db2.gz ZFMYWZIJSPCPTG-SFHVURJKSA-N 0 0 475.410 4.659 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3CC(c4cccc(Cl)c4F)=NO3)cc2)c1 ZINC001435053774 1064471930 /nfs/dbraw/zinc/47/19/30/1064471930.db2.gz WOZHWSPPYYXUNN-FQEVSTJZSA-N 0 0 453.857 4.502 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)C2CC2)cc1 ZINC001359803872 1064472779 /nfs/dbraw/zinc/47/27/79/1064472779.db2.gz ONZYPCPRUYRAEF-UHFFFAOYSA-N 0 0 457.361 4.652 20 0 JJADRN CCCC[C@H](NC(=O)c1ccc(I)cc1OC)c1ccc(OC)cc1 ZINC001435054763 1064473036 /nfs/dbraw/zinc/47/30/36/1064473036.db2.gz FVRRIEAIYGCRQA-SFHVURJKSA-N 0 0 453.320 4.970 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)ccc1F ZINC001359805053 1064474335 /nfs/dbraw/zinc/47/43/35/1064474335.db2.gz BZNJTGHKSOISHQ-HXUWFJFHSA-N 0 0 452.482 4.735 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3ccco3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359805797 1064475045 /nfs/dbraw/zinc/47/50/45/1064475045.db2.gz NZYJTMHKXHULHY-IBGZPJMESA-N 0 0 453.553 4.728 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nc4ccccc4o3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359805897 1064475344 /nfs/dbraw/zinc/47/53/44/1064475344.db2.gz OBGLLNLMDUBBGW-GOSISDBHSA-N 0 0 482.629 4.915 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)ccc1I ZINC001435057112 1064475374 /nfs/dbraw/zinc/47/53/74/1064475374.db2.gz MFPKHVRDLMPRBR-SNVBAGLBSA-N 0 0 451.201 4.810 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1(c2cccc(Cl)c2)CCCC1 ZINC001435057094 1064475442 /nfs/dbraw/zinc/47/54/42/1064475442.db2.gz LWBIMCSXWQQRIW-UHFFFAOYSA-N 0 0 453.391 4.984 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001435057047 1064475526 /nfs/dbraw/zinc/47/55/26/1064475526.db2.gz LNZRNPHCOVLOSH-AWEZNQCLSA-N 0 0 457.489 4.922 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC001435058169 1064476427 /nfs/dbraw/zinc/47/64/27/1064476427.db2.gz XCTQHBGRLRVKBV-HNNXBMFYSA-N 0 0 451.466 4.633 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c(C)c1 ZINC001435059058 1064477159 /nfs/dbraw/zinc/47/71/59/1064477159.db2.gz DSIPZOIECPFMFG-NRFANRHFSA-N 0 0 457.571 4.581 20 0 JJADRN CCC[C@@H](NC(=O)c1cc2ccccc2cc1OC(F)F)C(=O)N1CCc2sccc2C1 ZINC001359807303 1064478070 /nfs/dbraw/zinc/47/80/70/1064478070.db2.gz ZGHWYJAEJWPQML-LJQANCHMSA-N 0 0 458.530 4.986 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC[C@@H]1CCCCO1 ZINC001545888501 1064478140 /nfs/dbraw/zinc/47/81/40/1064478140.db2.gz OJBFSSLHWPBSDX-LPHOPBHVSA-N 0 0 475.584 4.558 20 0 JJADRN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001435059992 1064478155 /nfs/dbraw/zinc/47/81/55/1064478155.db2.gz ZLUPXGFNHGFLDB-OAHLLOKOSA-N 0 0 458.527 4.696 20 0 JJADRN CCCC[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(OC)cc1 ZINC001359807980 1064478957 /nfs/dbraw/zinc/47/89/57/1064478957.db2.gz QJAQLXWICCCIND-UTKZUKDTSA-N 0 0 456.587 4.692 20 0 JJADRN CCCC[C@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(OC)cc1 ZINC001359807981 1064479035 /nfs/dbraw/zinc/47/90/35/1064479035.db2.gz QJAQLXWICCCIND-UWJYYQICSA-N 0 0 456.587 4.692 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001435061927 1064479851 /nfs/dbraw/zinc/47/98/51/1064479851.db2.gz UGEFAQZXRFVZNF-INIZCTEOSA-N 0 0 457.354 4.832 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001359808605 1064480758 /nfs/dbraw/zinc/48/07/58/1064480758.db2.gz PUWDVUNNLWVLJG-OAQYLSRUSA-N 0 0 481.685 4.975 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(F)c(F)c1 ZINC001359808368 1064480794 /nfs/dbraw/zinc/48/07/94/1064480794.db2.gz NHQUSOBNLSHUGV-LJQANCHMSA-N 0 0 477.600 4.691 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCCc1cccc(F)c1 ZINC001359809071 1064482603 /nfs/dbraw/zinc/48/26/03/1064482603.db2.gz GHEDBHVLTZDYEW-UHFFFAOYSA-N 0 0 473.637 4.990 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSc2cc(Cl)ccc2Cl)cc1 ZINC001435063516 1064482641 /nfs/dbraw/zinc/48/26/41/1064482641.db2.gz KPXGYIVOOAYGKW-INIZCTEOSA-N 0 0 457.404 4.634 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435064204 1064483469 /nfs/dbraw/zinc/48/34/69/1064483469.db2.gz CAOJVSVKQGDHHF-SIBVEZHUSA-N 0 0 453.583 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359809562 1064484172 /nfs/dbraw/zinc/48/41/72/1064484172.db2.gz VJFZDGLDPKFOQL-VXKWHMMOSA-N 0 0 483.657 4.781 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359809697 1064484276 /nfs/dbraw/zinc/48/42/76/1064484276.db2.gz ZKIVRDCLJNDOSZ-SFHVURJKSA-N 0 0 470.415 4.588 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)c(OC(F)F)c1 ZINC001435064718 1064484236 /nfs/dbraw/zinc/48/42/36/1064484236.db2.gz LHKOYJXXSNMMDW-UHFFFAOYSA-N 0 0 450.438 4.982 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(CC(F)(F)F)c3ccccc3)c2)C1 ZINC001435064622 1064484265 /nfs/dbraw/zinc/48/42/65/1064484265.db2.gz KTTIAQPJKJSYJO-IRXDYDNUSA-N 0 0 454.514 4.562 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001435065201 1064485339 /nfs/dbraw/zinc/48/53/39/1064485339.db2.gz GGMFNSNLBFYGFS-OAQYLSRUSA-N 0 0 455.393 4.660 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001435066093 1064486013 /nfs/dbraw/zinc/48/60/13/1064486013.db2.gz HXUBGHNXXDHNHF-NYHFZMIOSA-N 0 0 457.537 4.975 20 0 JJADRN COc1ccc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1-c1ccccn1 ZINC001435066117 1064486022 /nfs/dbraw/zinc/48/60/22/1064486022.db2.gz HYKPLTGJFJNEMI-HFJWLAOPSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc2ncccc2c1 ZINC001359811353 1064486784 /nfs/dbraw/zinc/48/67/84/1064486784.db2.gz LNKPSVCPROGZEG-NRFANRHFSA-N 0 0 464.614 4.519 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)s1 ZINC001435066810 1064486709 /nfs/dbraw/zinc/48/67/09/1064486709.db2.gz SOHIZWHJQNFVJQ-MRXNPFEDSA-N 0 0 453.427 4.519 20 0 JJADRN CCc1ccc2occ(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)c2c1 ZINC001435067440 1064487670 /nfs/dbraw/zinc/48/76/70/1064487670.db2.gz AICGMYWAZKWIRL-UHFFFAOYSA-N 0 0 450.539 4.700 20 0 JJADRN O=C(CCc1cccc(OC2CCCC2)c1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001359812060 1064488464 /nfs/dbraw/zinc/48/84/64/1064488464.db2.gz BBMGOAUSKKCGGS-RUZDIDTESA-N 0 0 457.014 4.784 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCc1cc2ccccc2s1 ZINC001359812354 1064489380 /nfs/dbraw/zinc/48/93/80/1064489380.db2.gz LFFFWWNWVVKHEG-UHFFFAOYSA-N 0 0 453.656 4.675 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001359813024 1064490466 /nfs/dbraw/zinc/49/04/66/1064490466.db2.gz MQAOSFXJIJTVLE-HUUCEWRRSA-N 0 0 454.368 4.697 20 0 JJADRN CCN(C(=O)c1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435068646 1064490577 /nfs/dbraw/zinc/49/05/77/1064490577.db2.gz SBLCCDBGMQWPBF-XMMPIXPASA-N 0 0 453.945 4.962 20 0 JJADRN Cc1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1NC(=O)c1ccccc1 ZINC001435069987 1064491171 /nfs/dbraw/zinc/49/11/71/1064491171.db2.gz WOZHVNSIRPTTQD-SANMLTNESA-N 0 0 451.567 4.671 20 0 JJADRN CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069276 1064491216 /nfs/dbraw/zinc/49/12/16/1064491216.db2.gz XEAAZPQZRPNOOO-OAQYLSRUSA-N 0 0 452.942 4.732 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069466 1064491310 /nfs/dbraw/zinc/49/13/10/1064491310.db2.gz YVKPGLDQQOTXQJ-UUOWRZLLSA-N 0 0 451.929 4.865 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359814507 1064491792 /nfs/dbraw/zinc/49/17/92/1064491792.db2.gz IIMUZCXOUCHNMJ-OAQYLSRUSA-N 0 0 483.657 4.950 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435071052 1064492714 /nfs/dbraw/zinc/49/27/14/1064492714.db2.gz DRNZBKTWBDCJAL-CYBMUJFWSA-N 0 0 455.248 4.605 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001435071025 1064493065 /nfs/dbraw/zinc/49/30/65/1064493065.db2.gz DEWRKMDQTHXKFR-UHFFFAOYSA-N 0 0 450.442 4.671 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2cccc(I)c2)cc1 ZINC001435071544 1064493835 /nfs/dbraw/zinc/49/38/35/1064493835.db2.gz AIJDHVRNDFRJKH-UHFFFAOYSA-N 0 0 452.292 4.819 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359814799 1064493950 /nfs/dbraw/zinc/49/39/50/1064493950.db2.gz AXMAMRHLCPWLNT-RUZDIDTESA-N 0 0 471.646 4.710 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359814880 1064494758 /nfs/dbraw/zinc/49/47/58/1064494758.db2.gz CLMCPBLPRTUIRY-UHFFFAOYSA-N 0 0 493.505 4.745 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)ccn1 ZINC001435072476 1064494660 /nfs/dbraw/zinc/49/46/60/1064494660.db2.gz MZEXKHOUMXYTOS-UHFFFAOYSA-N 0 0 451.483 4.520 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359815236 1064495454 /nfs/dbraw/zinc/49/54/54/1064495454.db2.gz YIYPRXLFFNUYMA-RBUKOAKNSA-N 0 0 456.610 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359815178 1064495566 /nfs/dbraw/zinc/49/55/66/1064495566.db2.gz HIVRPROKSHEQCE-CTNGQTDRSA-N 0 0 477.694 4.906 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359815275 1064495591 /nfs/dbraw/zinc/49/55/91/1064495591.db2.gz HIVRPROKSHEQCE-FPOVZHCZSA-N 0 0 477.694 4.906 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1 ZINC001435073701 1064495652 /nfs/dbraw/zinc/49/56/52/1064495652.db2.gz FOIAFUDUENZPSU-BFUOFWGJSA-N 0 0 458.381 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1Cc1ccc(Cl)nc1 ZINC001359815355 1064496353 /nfs/dbraw/zinc/49/63/53/1064496353.db2.gz IZXSRJXXFKUDFP-UHFFFAOYSA-N 0 0 460.409 4.715 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCc2cccc(F)c2)c1 ZINC001435074197 1064496373 /nfs/dbraw/zinc/49/63/73/1064496373.db2.gz DHUWSRVZLUXZNJ-UHFFFAOYSA-N 0 0 452.551 4.928 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(-c2cccc(Cl)c2F)no1)C1CC1 ZINC001435073819 1064496617 /nfs/dbraw/zinc/49/66/17/1064496617.db2.gz SMTPNKUSMZJTKF-HXUWFJFHSA-N 0 0 456.901 4.913 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001359816247 1064498063 /nfs/dbraw/zinc/49/80/63/1064498063.db2.gz FTDJYDGNYTVJQO-JPYJTQIMSA-N 0 0 454.636 4.993 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001359816239 1064498135 /nfs/dbraw/zinc/49/81/35/1064498135.db2.gz HFOYMHRMNKRILX-QFIPXVFZSA-N 0 0 455.327 4.558 20 0 JJADRN O=C(c1cc2c(cc1Br)OCO2)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001359816533 1064498840 /nfs/dbraw/zinc/49/88/40/1064498840.db2.gz MOEIOHQJXPPYDT-UHFFFAOYSA-N 0 0 457.299 4.597 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC001435076602 1064498886 /nfs/dbraw/zinc/49/88/86/1064498886.db2.gz BGDGFQUDLHMNFE-MUUNZHRXSA-N 0 0 452.558 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001435077244 1064499864 /nfs/dbraw/zinc/49/98/64/1064499864.db2.gz XSZHTVPLXBOMBN-PKTZIBPZSA-N 0 0 450.579 4.809 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1nc(-c2ccccc2)cs1 ZINC001435076542 1064499964 /nfs/dbraw/zinc/49/99/64/1064499964.db2.gz PBZQTIBNOAWDGT-XVSDVWIESA-N 0 0 458.381 4.923 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC3CCCC3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359818075 1064501181 /nfs/dbraw/zinc/50/11/81/1064501181.db2.gz RTDMTNPJUWLWMT-UHFFFAOYSA-N 0 0 481.563 4.897 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359817960 1064501322 /nfs/dbraw/zinc/50/13/22/1064501322.db2.gz PNIBHKDXUCWMAT-NRFANRHFSA-N 0 0 489.542 4.657 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)c(OC2CCCC2)c1 ZINC001435079669 1064501536 /nfs/dbraw/zinc/50/15/36/1064501536.db2.gz ASEVYFWGTCXOTK-FQEVSTJZSA-N 0 0 452.599 4.548 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC001435079556 1064501651 /nfs/dbraw/zinc/50/16/51/1064501651.db2.gz DIHWYEAJHVPICA-LJQANCHMSA-N 0 0 454.361 4.653 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359818164 1064501859 /nfs/dbraw/zinc/50/18/59/1064501859.db2.gz UYJBRDZCSXZBMN-DENIHFKCSA-N 0 0 459.610 4.654 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1Cc1cccc(Cl)c1 ZINC001359818192 1064501923 /nfs/dbraw/zinc/50/19/23/1064501923.db2.gz VRXALLIFGYLTNI-UHFFFAOYSA-N 0 0 461.397 4.670 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)=NN1c1ccccc1 ZINC001435079759 1064502052 /nfs/dbraw/zinc/50/20/52/1064502052.db2.gz GKCBXNTWSCKYKN-PKTZIBPZSA-N 0 0 451.542 4.760 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)=NN1c1ccccc1 ZINC001435079753 1064502103 /nfs/dbraw/zinc/50/21/03/1064502103.db2.gz GKCBXNTWSCKYKN-DHIUTWEWSA-N 0 0 451.542 4.760 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1=O ZINC001435080250 1064502717 /nfs/dbraw/zinc/50/27/17/1064502717.db2.gz FJSDWKQOXZIORT-RBUKOAKNSA-N 0 0 453.558 4.568 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359819121 1064502974 /nfs/dbraw/zinc/50/29/74/1064502974.db2.gz KLUWSZLJAXLGET-WXVAWEFUSA-N 0 0 483.657 4.662 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001435081103 1064503140 /nfs/dbraw/zinc/50/31/40/1064503140.db2.gz URHFOMNHCBKIPW-QVKFZJNVSA-N 0 0 457.546 4.647 20 0 JJADRN CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001435081664 1064503152 /nfs/dbraw/zinc/50/31/52/1064503152.db2.gz QUOCAKYPPUVBCC-XMMPIXPASA-N 0 0 456.489 4.566 20 0 JJADRN CCCN(C(=O)c1ccc(Cn2cc(Cl)cn2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082124 1064503829 /nfs/dbraw/zinc/50/38/29/1064503829.db2.gz AOKXUYQWSFFIAT-MRXNPFEDSA-N 0 0 453.008 4.508 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001359821021 1064503728 /nfs/dbraw/zinc/50/37/28/1064503728.db2.gz ZGTRLAVLUVKMKZ-HNNXBMFYSA-N 0 0 457.543 4.521 20 0 JJADRN CCCN(C(=O)Cc1csc(COc2ccccc2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082451 1064504310 /nfs/dbraw/zinc/50/43/10/1064504310.db2.gz GYRVGJHBDNNSLE-IBGZPJMESA-N 0 0 459.612 4.513 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001435082780 1064504374 /nfs/dbraw/zinc/50/43/74/1064504374.db2.gz KMRALRZZCPQXLM-KRWDZBQOSA-N 0 0 454.995 4.999 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC001359822010 1064504414 /nfs/dbraw/zinc/50/44/14/1064504414.db2.gz AOMWLBCHPLZZTA-PZJWPPBQSA-N 0 0 450.645 4.595 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(Cl)cccc3C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359821876 1064504428 /nfs/dbraw/zinc/50/44/28/1064504428.db2.gz XPVVDGUZCNZPQR-UHFFFAOYSA-N 0 0 460.022 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(CCSC3)C2)n1CCc1cc(Br)ccc1F ZINC001359821388 1064504466 /nfs/dbraw/zinc/50/44/66/1064504466.db2.gz IYDIVNSHYROWCG-NRFANRHFSA-N 0 0 467.452 4.954 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H]1CSCCS1 ZINC001359821697 1064504483 /nfs/dbraw/zinc/50/44/83/1064504483.db2.gz RRVSUFJDERXRGT-MRXNPFEDSA-N 0 0 467.502 4.650 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1C[C@](C)(O)c1cccs1 ZINC001359822617 1064505065 /nfs/dbraw/zinc/50/50/65/1064505065.db2.gz CUGHTQXGZSUWTR-QFIPXVFZSA-N 0 0 475.456 4.771 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2=O)cc1 ZINC001435084231 1064505631 /nfs/dbraw/zinc/50/56/31/1064505631.db2.gz RMNDBLPUOBWGIF-KNQAVFIVSA-N 0 0 454.542 4.718 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001435084637 1064505668 /nfs/dbraw/zinc/50/56/68/1064505668.db2.gz XVBXWQORCCROMF-IBGZPJMESA-N 0 0 456.543 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(Cl)cccc3C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359823339 1064505600 /nfs/dbraw/zinc/50/56/00/1064505600.db2.gz RHPIGYSWFPHKTN-UHFFFAOYSA-N 0 0 479.938 4.614 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1Cc1ccncc1Cl ZINC001359823357 1064505684 /nfs/dbraw/zinc/50/56/84/1064505684.db2.gz RVNYIIZVVQUKSI-UHFFFAOYSA-N 0 0 460.807 4.899 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1Cc1ccc(N(C)C)nc1 ZINC001359823263 1064505758 /nfs/dbraw/zinc/50/57/58/1064505758.db2.gz PHSQYHCEBQCPNY-UHFFFAOYSA-N 0 0 480.632 4.676 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001359823969 1064506125 /nfs/dbraw/zinc/50/61/25/1064506125.db2.gz CBNAXOTVZZBOAY-GOSISDBHSA-N 0 0 459.543 4.859 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC001359824119 1064506752 /nfs/dbraw/zinc/50/67/52/1064506752.db2.gz GKHKDMVWGOBNBD-CRAIPNDOSA-N 0 0 457.646 4.934 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c1C ZINC001359824356 1064506765 /nfs/dbraw/zinc/50/67/65/1064506765.db2.gz LJLOMDGMAKLEEO-SFHVURJKSA-N 0 0 459.543 4.859 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC001359824173 1064506800 /nfs/dbraw/zinc/50/68/00/1064506800.db2.gz HYRQSGHZFPYGQM-KBXCAEBGSA-N 0 0 453.391 4.918 20 0 JJADRN Cc1cc(C(=O)NCc2cccc3ccccc32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001435086852 1064507106 /nfs/dbraw/zinc/50/71/06/1064507106.db2.gz GNYGCUSKSQZQTB-UHFFFAOYSA-N 0 0 450.604 4.807 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c(C)c1 ZINC001359824473 1064507115 /nfs/dbraw/zinc/50/71/15/1064507115.db2.gz NYAXHADYFIEVLH-QAPCUYQASA-N 0 0 452.498 4.630 20 0 JJADRN Cc1cc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)ccc1N1CCCC1 ZINC001435087995 1064507154 /nfs/dbraw/zinc/50/71/54/1064507154.db2.gz YAQBQPMTAOPJGZ-UHFFFAOYSA-N 0 0 454.571 4.950 20 0 JJADRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001359824477 1064507227 /nfs/dbraw/zinc/50/72/27/1064507227.db2.gz NZZRQQCHOOFSNT-CYBMUJFWSA-N 0 0 453.973 4.818 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)nn1-c1ccc(Cl)cc1 ZINC001359824999 1064507626 /nfs/dbraw/zinc/50/76/26/1064507626.db2.gz YJDDNYBKEAUNGY-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001359825369 1064507677 /nfs/dbraw/zinc/50/76/77/1064507677.db2.gz CBVDBLINQNWLMU-KBMIEXCESA-N 0 0 470.614 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccccc3C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359825721 1064508185 /nfs/dbraw/zinc/50/81/85/1064508185.db2.gz KABPTKKHRDLKTJ-FQEVSTJZSA-N 0 0 453.631 4.686 20 0 JJADRN CC(C)Cc1nnc(N2CCC=C(Br)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359825951 1064508238 /nfs/dbraw/zinc/50/82/38/1064508238.db2.gz ITLCAAUAJJLVIA-UHFFFAOYSA-N 0 0 488.352 4.544 20 0 JJADRN Cc1c(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435091107 1064508471 /nfs/dbraw/zinc/50/84/71/1064508471.db2.gz OKKMXAYZIUZGMW-MRXNPFEDSA-N 0 0 458.484 4.845 20 0 JJADRN C[C@@H](c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1)N1CCOCC1 ZINC001435091982 1064508787 /nfs/dbraw/zinc/50/87/87/1064508787.db2.gz YRXKTOSNMMVXEV-AWEZNQCLSA-N 0 0 453.764 4.513 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826730 1064508978 /nfs/dbraw/zinc/50/89/78/1064508978.db2.gz UCZDSJMSNBFGKH-VTZPFEBOSA-N 0 0 496.700 4.696 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Oc2ccccc2C)cc1 ZINC001435093795 1064509993 /nfs/dbraw/zinc/50/99/93/1064509993.db2.gz SOXDWDZHRHMALT-LJQANCHMSA-N 0 0 452.576 4.794 20 0 JJADRN CC[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)c1nc(C)cs1 ZINC001435093310 1064510224 /nfs/dbraw/zinc/51/02/24/1064510224.db2.gz MWUOAHJCHVJMHG-OAHLLOKOSA-N 0 0 451.333 4.728 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1c(F)ccc(Br)c1F ZINC001359828108 1064510339 /nfs/dbraw/zinc/51/03/39/1064510339.db2.gz AIXPDIYTHPCSIS-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(OC)ccc2OCC)[C@H]1c1ccccc1OC ZINC001435094530 1064510762 /nfs/dbraw/zinc/51/07/62/1064510762.db2.gz GSGZDRYLAFOCBG-CJFMBICVSA-N 0 0 454.567 4.821 20 0 JJADRN COc1ccc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)c(C(=O)NC2CC2)c1 ZINC001435094632 1064510818 /nfs/dbraw/zinc/51/08/18/1064510818.db2.gz GPAYFGFHRSDYIX-UHFFFAOYSA-N 0 0 459.424 4.822 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001359828785 1064510998 /nfs/dbraw/zinc/51/09/98/1064510998.db2.gz JAPWKCSJKROUKB-HXUWFJFHSA-N 0 0 455.580 4.804 20 0 JJADRN Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001435095061 1064511129 /nfs/dbraw/zinc/51/11/29/1064511129.db2.gz JPSPYEAYYQBZJB-VGSWGCGISA-N 0 0 455.396 4.722 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435095199 1064511186 /nfs/dbraw/zinc/51/11/86/1064511186.db2.gz JFAROWNRMJTRSJ-WNLUNTPQSA-N 0 0 457.014 4.806 20 0 JJADRN O=C(NCCc1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435096836 1064511393 /nfs/dbraw/zinc/51/13/93/1064511393.db2.gz DYIXUSJRJMDVID-QFIPXVFZSA-N 0 0 451.364 4.566 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3Cl)CC2=O)cc1 ZINC001435095946 1064511446 /nfs/dbraw/zinc/51/14/46/1064511446.db2.gz PZGZRPPHQLIHIC-TZMCWYRMSA-N 0 0 455.769 4.881 20 0 JJADRN CCSc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001435096781 1064511479 /nfs/dbraw/zinc/51/14/79/1064511479.db2.gz JAXHOUMFIUANBU-INIZCTEOSA-N 0 0 453.029 4.800 20 0 JJADRN Cn1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1-c1ccccc1 ZINC001435097167 1064512112 /nfs/dbraw/zinc/51/21/12/1064512112.db2.gz YDCZACKPKAWMKY-QHCPKHFHSA-N 0 0 451.998 4.927 20 0 JJADRN Cn1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1-c1ccccc1 ZINC001435097166 1064512354 /nfs/dbraw/zinc/51/23/54/1064512354.db2.gz YDCZACKPKAWMKY-HSZRJFAPSA-N 0 0 451.998 4.927 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1CCCOC(F)(F)F ZINC001359830256 1064512561 /nfs/dbraw/zinc/51/25/61/1064512561.db2.gz FWKKJPMFVLPLMU-MRXNPFEDSA-N 0 0 450.509 4.663 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001359830307 1064513059 /nfs/dbraw/zinc/51/30/59/1064513059.db2.gz GPRFLQYXECPUKZ-ROUUACIJSA-N 0 0 481.472 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCCOC(F)F ZINC001359830840 1064513584 /nfs/dbraw/zinc/51/35/84/1064513584.db2.gz RMOLOOKMZOWINB-CYBMUJFWSA-N 0 0 467.508 4.965 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(N(C)C)c1 ZINC001359831154 1064514186 /nfs/dbraw/zinc/51/41/86/1064514186.db2.gz XZYJGFDIOBPFMO-JOCHJYFZSA-N 0 0 484.689 4.674 20 0 JJADRN CCC(CC)(NC(=O)c1ccc(OC)c(N2CCNC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001435100751 1064514392 /nfs/dbraw/zinc/51/43/92/1064514392.db2.gz NWOHOZAAFAFVAC-UHFFFAOYSA-N 0 0 450.366 4.977 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001435104129 1064515506 /nfs/dbraw/zinc/51/55/06/1064515506.db2.gz WGKKMQFYZRJDSR-OAQYLSRUSA-N 0 0 456.539 4.613 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001359832720 1064516616 /nfs/dbraw/zinc/51/66/16/1064516616.db2.gz AZEJDRODEXKYGU-KUHUBIRLSA-N 0 0 452.498 4.748 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001359832806 1064516712 /nfs/dbraw/zinc/51/67/12/1064516712.db2.gz COEDBJIOIGVAPE-RBUKOAKNSA-N 0 0 452.498 4.748 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107611 1064517174 /nfs/dbraw/zinc/51/71/74/1064517174.db2.gz FZUXOUKBNUILDO-FQRUVTKNSA-N 0 0 459.590 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H](C)Sc1ccccc1 ZINC001359832866 1064517509 /nfs/dbraw/zinc/51/75/09/1064517509.db2.gz PTTFBPAAYUWJDR-SFTDATJTSA-N 0 0 457.688 4.646 20 0 JJADRN Cc1ccc([C@H](NC(=O)CN2c3ccccc3O[C@H](C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107844 1064517843 /nfs/dbraw/zinc/51/78/43/1064517843.db2.gz GTOJJAMDQZYGGL-GYCJOSAFSA-N 0 0 452.913 4.807 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1nn(C)cc1I)[C@@H]1CCC[C@@H](C)C1 ZINC001435108784 1064518276 /nfs/dbraw/zinc/51/82/76/1064518276.db2.gz HRYWIFRRDSDWSX-DDUZABMNSA-N 0 0 451.352 4.631 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108351 1064518485 /nfs/dbraw/zinc/51/84/85/1064518485.db2.gz KQDQRRFWDFPFES-ZYLNGJIFSA-N 0 0 454.586 4.605 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCSC(F)(F)F ZINC001359833444 1064519064 /nfs/dbraw/zinc/51/90/64/1064519064.db2.gz XPDYAHWYPUDTHM-OAHLLOKOSA-N 0 0 465.586 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359833474 1064519145 /nfs/dbraw/zinc/51/91/45/1064519145.db2.gz YAVDDLOGAZAQGY-LJQANCHMSA-N 0 0 488.746 4.852 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001435110444 1064519490 /nfs/dbraw/zinc/51/94/90/1064519490.db2.gz WYDRPGDPRHJJRF-VQTJNVASSA-N 0 0 473.614 4.684 20 0 JJADRN COc1cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1OCc1ccccc1 ZINC001359833912 1064519874 /nfs/dbraw/zinc/51/98/74/1064519874.db2.gz PNGDQHSJZJZGKM-SANMLTNESA-N 0 0 454.567 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@]1(C)OCCc2sccc21 ZINC001359834427 1064520199 /nfs/dbraw/zinc/52/01/99/1064520199.db2.gz CVNDONIOBPOURB-HRAATJIYSA-N 0 0 472.577 4.574 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCc1cccc(F)c1F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435111497 1064520576 /nfs/dbraw/zinc/52/05/76/1064520576.db2.gz RVLQDIXOSWNCNX-BCHFMIIMSA-N 0 0 456.577 4.910 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC001435112312 1064520865 /nfs/dbraw/zinc/52/08/65/1064520865.db2.gz MNAAUDWZNWERPS-UHFFFAOYSA-N 0 0 457.575 4.897 20 0 JJADRN O=C(NCCc1cccc(OCCCc2ccccc2)c1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001435111756 1064520934 /nfs/dbraw/zinc/52/09/34/1064520934.db2.gz ULLZMXBHZCIGMD-SANMLTNESA-N 0 0 451.607 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCc1ccccc1Cl ZINC001359834752 1064521166 /nfs/dbraw/zinc/52/11/66/1064521166.db2.gz KOSWNVYBKCSQSI-IBGZPJMESA-N 0 0 457.981 4.955 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359834916 1064521221 /nfs/dbraw/zinc/52/12/21/1064521221.db2.gz OCQCAEJQDWVHFF-PCCBWWKXSA-N 0 0 477.694 4.906 20 0 JJADRN COc1cccc(C2(CNC(=O)c3nc(CNC(=O)OC(C)(C)C)sc3C)CCCC2)c1 ZINC001435112625 1064521348 /nfs/dbraw/zinc/52/13/48/1064521348.db2.gz NYOLBLYWYXDBCH-UHFFFAOYSA-N 0 0 459.612 4.727 20 0 JJADRN CCS[C@@H]1CCCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001435113426 1064521416 /nfs/dbraw/zinc/52/14/16/1064521416.db2.gz CTWUPOLNNSIWBG-CEWLAPEOSA-N 0 0 450.645 4.619 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001435113230 1064521464 /nfs/dbraw/zinc/52/14/64/1064521464.db2.gz QOJMPZFCJLMTNC-UHFFFAOYSA-N 0 0 454.995 4.651 20 0 JJADRN COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Br ZINC001435114099 1064521924 /nfs/dbraw/zinc/52/19/24/1064521924.db2.gz HNKBUMYIZSYJHW-UHFFFAOYSA-N 0 0 451.276 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001359834996 1064522052 /nfs/dbraw/zinc/52/20/52/1064522052.db2.gz PQRANFCRMSNMEX-RDGATRHJSA-N 0 0 483.701 4.530 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1SCCc2ccccc21 ZINC001359835585 1064522339 /nfs/dbraw/zinc/52/23/39/1064522339.db2.gz XYMBHQILPVOEIK-UNMCSNQZSA-N 0 0 469.699 4.638 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)CC2=O)cc1 ZINC001435115744 1064523051 /nfs/dbraw/zinc/52/30/51/1064523051.db2.gz WQXSILFYFZLFAO-QGZVFWFLSA-N 0 0 450.926 4.866 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)c2)cc1 ZINC001359837337 1064523636 /nfs/dbraw/zinc/52/36/36/1064523636.db2.gz CPEXBUXDISITSN-WXTAPIANSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359836547 1064523652 /nfs/dbraw/zinc/52/36/52/1064523652.db2.gz KPWFMHGGNRVDCX-OAQYLSRUSA-N 0 0 499.656 4.846 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)c1 ZINC001359837552 1064524214 /nfs/dbraw/zinc/52/42/14/1064524214.db2.gz HZDKVYBMBSVLIQ-QKKBWIMNSA-N 0 0 455.393 4.661 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001359837870 1064524710 /nfs/dbraw/zinc/52/47/10/1064524710.db2.gz OZRIHKITICOFBV-KSFYIVLOSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1cccc(CC(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)c1Br ZINC001359837745 1064524782 /nfs/dbraw/zinc/52/47/82/1064524782.db2.gz MBQZNSHKHKIISP-KSFYIVLOSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H](C)SCc3nc4ccccc4c(=O)[nH]3)s2)c1 ZINC001435118299 1064525304 /nfs/dbraw/zinc/52/53/04/1064525304.db2.gz GUYMOBNWTWRYTR-CQSZACIVSA-N 0 0 451.577 4.731 20 0 JJADRN CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1Cc1ccc(I)cc1 ZINC001359838674 1064525749 /nfs/dbraw/zinc/52/57/49/1064525749.db2.gz GROYKUDMJZZFSP-UHFFFAOYSA-N 0 0 494.421 4.527 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001435119886 1064526239 /nfs/dbraw/zinc/52/62/39/1064526239.db2.gz NYXYNHGAGFXRPY-VXKWHMMOSA-N 0 0 452.352 4.861 20 0 JJADRN O=C(Cc1ccccc1I)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001435120275 1064526275 /nfs/dbraw/zinc/52/62/75/1064526275.db2.gz RYJPTKFWHZBKJF-KRWDZBQOSA-N 0 0 457.764 4.804 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC001435120193 1064526459 /nfs/dbraw/zinc/52/64/59/1064526459.db2.gz PXNPIIRQATYMPC-UHFFFAOYSA-N 0 0 454.495 4.804 20 0 JJADRN CC(C)(CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1cccc(F)c1 ZINC001435120792 1064526829 /nfs/dbraw/zinc/52/68/29/1064526829.db2.gz PHTPAWKYCNWZIY-UHFFFAOYSA-N 0 0 452.349 4.726 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(Br)nc(Br)c2)cc1 ZINC001435120447 1064526910 /nfs/dbraw/zinc/52/69/10/1064526910.db2.gz QHVUZJMDAFPKCT-AWEZNQCLSA-N 0 0 456.203 4.845 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCC1CCCC1 ZINC001359840362 1064526885 /nfs/dbraw/zinc/52/68/85/1064526885.db2.gz BWBCUBRIWPJVSI-UHFFFAOYSA-N 0 0 469.649 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCOC1CCCCCC1 ZINC001359840440 1064527023 /nfs/dbraw/zinc/52/70/23/1064527023.db2.gz FXMQDEUGIOWCDN-UHFFFAOYSA-N 0 0 467.658 4.569 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1ccc(Cl)nc1 ZINC001359840989 1064527326 /nfs/dbraw/zinc/52/73/26/1064527326.db2.gz XTGPEESWZPJOGR-UHFFFAOYSA-N 0 0 487.435 4.579 20 0 JJADRN COC[C@@H](NC(=O)c1cc(Br)c2nccnc2c1)c1cccc(C(F)(F)F)c1 ZINC001435121354 1064527423 /nfs/dbraw/zinc/52/74/23/1064527423.db2.gz VLHSVEPEMXEVAG-MRXNPFEDSA-N 0 0 454.246 4.529 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001435121283 1064527556 /nfs/dbraw/zinc/52/75/56/1064527556.db2.gz SHFGYBIEMZIDAE-TZIWHRDSSA-N 0 0 450.476 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC(C)(C)C1CC1 ZINC001359840924 1064527740 /nfs/dbraw/zinc/52/77/40/1064527740.db2.gz VNIGRBYCYKXREW-UHFFFAOYSA-N 0 0 455.622 4.795 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(Cl)c(F)cc2Br)c(OC(F)F)c1 ZINC001359842109 1064528842 /nfs/dbraw/zinc/52/88/42/1064528842.db2.gz OBGYLBAPWJZRRI-UHFFFAOYSA-N 0 0 452.610 4.882 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001435122981 1064529255 /nfs/dbraw/zinc/52/92/55/1064529255.db2.gz FAJCBXXEKCDRBC-LOSJGSFVSA-N 0 0 451.542 4.849 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001359842763 1064529514 /nfs/dbraw/zinc/52/95/14/1064529514.db2.gz JZKQHLVFKLBWJO-UHFFFAOYSA-N 0 0 458.412 4.754 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC001435123599 1064529627 /nfs/dbraw/zinc/52/96/27/1064529627.db2.gz UVJPYHZOOMROJB-INIZCTEOSA-N 0 0 450.366 4.914 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC001435123602 1064529667 /nfs/dbraw/zinc/52/96/67/1064529667.db2.gz UVJPYHZOOMROJB-MRXNPFEDSA-N 0 0 450.366 4.914 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOc1ccc(F)cc1 ZINC001359843193 1064530133 /nfs/dbraw/zinc/53/01/33/1064530133.db2.gz MKYAQOBLDFHRHF-HXUWFJFHSA-N 0 0 475.609 4.578 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359843948 1064530152 /nfs/dbraw/zinc/53/01/52/1064530152.db2.gz DSAVRRGIXMBDGG-KRWDZBQOSA-N 0 0 481.538 4.543 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359844203 1064530271 /nfs/dbraw/zinc/53/02/71/1064530271.db2.gz NMYWUPPWOWYAPN-XMMPIXPASA-N 0 0 495.071 4.927 20 0 JJADRN Cc1nn(C)c2ncc(C(=O)NCc3ccc(Br)cc3Oc3ccccc3)cc12 ZINC001435125492 1064531216 /nfs/dbraw/zinc/53/12/16/1064531216.db2.gz JCDDVMWLJSASAG-UHFFFAOYSA-N 0 0 451.324 4.762 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCc1ccc(Cl)cc1 ZINC001359845748 1064531304 /nfs/dbraw/zinc/53/13/04/1064531304.db2.gz BVKZZYKJEKSGBJ-UHFFFAOYSA-N 0 0 472.077 4.992 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)c2cccn2-c2cccc(I)c2)n1 ZINC001435125951 1064531774 /nfs/dbraw/zinc/53/17/74/1064531774.db2.gz GDPIUGXGSHNMCR-UHFFFAOYSA-N 0 0 451.333 4.512 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359846258 1064531966 /nfs/dbraw/zinc/53/19/66/1064531966.db2.gz RAYFGCGHDIPJOZ-VWLOTQADSA-N 0 0 480.701 4.930 20 0 JJADRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1ccc(Br)cc1Oc1ccccc1)OC2=O ZINC001435126408 1064532384 /nfs/dbraw/zinc/53/23/84/1064532384.db2.gz YWPGDKJWZJFNIG-XZOQPEGZSA-N 0 0 458.352 4.980 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1coc2ccccc12 ZINC001359846597 1064532511 /nfs/dbraw/zinc/53/25/11/1064532511.db2.gz DEOYBDKOJCYKTP-SFHVURJKSA-N 0 0 453.587 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCSc1ccccc1 ZINC001359846526 1064532543 /nfs/dbraw/zinc/53/25/43/1064532543.db2.gz BPBSTHNSWSZJMM-IBGZPJMESA-N 0 0 459.660 4.715 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359847133 1064533448 /nfs/dbraw/zinc/53/34/48/1064533448.db2.gz OSDNYZVGILGIJG-UHFFFAOYSA-N 0 0 495.565 4.700 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1nc2ccccc2cc1Br ZINC001435127957 1064533894 /nfs/dbraw/zinc/53/38/94/1064533894.db2.gz KHJOZWKHYJSREV-UHFFFAOYSA-N 0 0 457.368 4.727 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC001435128434 1064534113 /nfs/dbraw/zinc/53/41/13/1064534113.db2.gz RHPDUVPTQHPOOS-HXUWFJFHSA-N 0 0 456.587 4.649 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359848956 1064534739 /nfs/dbraw/zinc/53/47/39/1064534739.db2.gz FMEQEABDQBXXRW-UHFFFAOYSA-N 0 0 480.485 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359848855 1064534831 /nfs/dbraw/zinc/53/48/31/1064534831.db2.gz CYDZMOIFAYLADJ-MSOLQXFVSA-N 0 0 452.619 4.642 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC001435129479 1064534977 /nfs/dbraw/zinc/53/49/77/1064534977.db2.gz CDRJEKXVGYJZST-UHFFFAOYSA-N 0 0 455.407 4.674 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1-c1cccc(F)c1 ZINC001435129791 1064535046 /nfs/dbraw/zinc/53/50/46/1064535046.db2.gz RJCZJWNUIZYPQW-KRWDZBQOSA-N 0 0 458.484 4.574 20 0 JJADRN COc1cccc(/C=C(\C(=O)Nc2ccc(OCc3ccccc3)cc2C)n2nnnc2C)c1 ZINC001435129864 1064535065 /nfs/dbraw/zinc/53/50/65/1064535065.db2.gz DJVKKPPQVZKQAT-PCLIKHOPSA-N 0 0 455.518 4.514 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCSC(C)C ZINC001359848965 1064535353 /nfs/dbraw/zinc/53/53/53/1064535353.db2.gz FHFIOFHOXNPYLG-SFHVURJKSA-N 0 0 451.631 4.780 20 0 JJADRN O=C(NCCc1cccc(F)c1F)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435131748 1064536671 /nfs/dbraw/zinc/53/66/71/1064536671.db2.gz SNQREOSSMXSUJU-UHFFFAOYSA-N 0 0 456.302 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001359850775 1064537033 /nfs/dbraw/zinc/53/70/33/1064537033.db2.gz WORZSVIZCJABJM-QRFRQXIXSA-N 0 0 453.528 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359850784 1064537111 /nfs/dbraw/zinc/53/71/11/1064537111.db2.gz WQJKHSPEBFJUIV-RTBURBONSA-N 0 0 479.620 4.692 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)c2cccc3ccccc32)c1 ZINC001435134055 1064537759 /nfs/dbraw/zinc/53/77/59/1064537759.db2.gz LAZNGWIBLONPQA-DEOSSOPVSA-N 0 0 458.558 4.924 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1=O ZINC001435133671 1064537883 /nfs/dbraw/zinc/53/78/83/1064537883.db2.gz JJYZNXBJEKSQCK-UYAOXDASSA-N 0 0 456.608 4.515 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1=O ZINC001435133664 1064537897 /nfs/dbraw/zinc/53/78/97/1064537897.db2.gz JJYZNXBJEKSQCK-ICSRJNTNSA-N 0 0 456.608 4.515 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc3c(cccc3Cl)s2)c1 ZINC001435134784 1064538493 /nfs/dbraw/zinc/53/84/93/1064538493.db2.gz AOHMYZNUYZBQHI-SFHVURJKSA-N 0 0 456.951 4.975 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc3c(cccc3Cl)s2)c1 ZINC001435134783 1064538574 /nfs/dbraw/zinc/53/85/74/1064538574.db2.gz AOHMYZNUYZBQHI-GOSISDBHSA-N 0 0 456.951 4.975 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)C(F)(F)c1ncccc1Br ZINC001435135318 1064538775 /nfs/dbraw/zinc/53/87/75/1064538775.db2.gz KVPWSVMPRFBKQE-UHFFFAOYSA-N 0 0 459.653 4.612 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCc1ccc(Br)s1 ZINC001359852051 1064538762 /nfs/dbraw/zinc/53/87/62/1064538762.db2.gz IVWLPIMMUKAWBJ-UHFFFAOYSA-N 0 0 474.472 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCCCc2cccc(Br)c2)C1 ZINC001435135172 1064538871 /nfs/dbraw/zinc/53/88/71/1064538871.db2.gz FTUGVVJDCQFMCA-AVRDEDQJSA-N 0 0 451.405 4.535 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(Oc2ccccn2)c1 ZINC001359851974 1064538996 /nfs/dbraw/zinc/53/89/96/1064538996.db2.gz PBVBSFORCCYSQU-UHFFFAOYSA-N 0 0 454.324 4.703 20 0 JJADRN CCc1nc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)nn1-c1ccccc1Cl ZINC001435136220 1064539506 /nfs/dbraw/zinc/53/95/06/1064539506.db2.gz UZPFSHXJIDVHNM-LLVKDONJSA-N 0 0 451.727 4.876 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@H](c3oc4ccccc4c3C)C(C)C)CC2=O)c(OC)c1 ZINC001435137812 1064539935 /nfs/dbraw/zinc/53/99/35/1064539935.db2.gz LXAGUZSHIMKNPG-OSPHWJPCSA-N 0 0 450.535 4.625 20 0 JJADRN CO[C@@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccccc1Br ZINC001435138759 1064540452 /nfs/dbraw/zinc/54/04/52/1064540452.db2.gz ZQLUNPXGKXWKEY-GOSISDBHSA-N 0 0 452.711 4.813 20 0 JJADRN COc1cc(Br)c(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC001359853425 1064540770 /nfs/dbraw/zinc/54/07/70/1064540770.db2.gz BLGATJDSALZVSW-OAHLLOKOSA-N 0 0 450.373 4.982 20 0 JJADRN O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc(Cn2cc(Br)cn2)on1 ZINC001359854052 1064541493 /nfs/dbraw/zinc/54/14/93/1064541493.db2.gz IIPFISYXOKMXDD-UHFFFAOYSA-N 0 0 457.259 4.866 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(C(F)(F)F)c(F)c2C)cc1OC ZINC001359853732 1064541521 /nfs/dbraw/zinc/54/15/21/1064541521.db2.gz FLGQDOVXEFHWQZ-UHFFFAOYSA-N 0 0 450.226 4.863 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC001435142500 1064542634 /nfs/dbraw/zinc/54/26/34/1064542634.db2.gz RGWHHFWMKLCFOO-MUUNZHRXSA-N 0 0 457.349 4.691 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359855417 1064542685 /nfs/dbraw/zinc/54/26/85/1064542685.db2.gz MDKYUDQMRAIQGH-SFHVURJKSA-N 0 0 468.662 4.696 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1 ZINC001435142948 1064543525 /nfs/dbraw/zinc/54/35/25/1064543525.db2.gz LLVUOTKUWLFTRU-KRWDZBQOSA-N 0 0 459.432 4.749 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN([C@@H](CC)c4ccc(F)cc4F)CC3)cc2nc1CC ZINC001435143437 1064544265 /nfs/dbraw/zinc/54/42/65/1064544265.db2.gz NMTLXTHAOPXJPR-VWLOTQADSA-N 0 0 452.549 4.942 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC001435144034 1064544799 /nfs/dbraw/zinc/54/47/99/1064544799.db2.gz QDCBYXOUSMUMCO-HXUWFJFHSA-N 0 0 455.318 4.704 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)c1=O ZINC001359858103 1064545407 /nfs/dbraw/zinc/54/54/07/1064545407.db2.gz IWDYIAFCIYRJNK-MHZLTWQESA-N 0 0 456.590 4.945 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)CN3C(=O)COc4ccccc43)cc2C)cc1 ZINC001435145237 1064545749 /nfs/dbraw/zinc/54/57/49/1064545749.db2.gz OUPIWVLADCMVNS-UHFFFAOYSA-N 0 0 458.558 4.575 20 0 JJADRN CCN(C(=O)c1ccc(C(=O)OC(C)(C)C)cn1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858213 1064546103 /nfs/dbraw/zinc/54/61/03/1064546103.db2.gz JTNWWWPRLFMDNZ-JOCHJYFZSA-N 0 0 453.489 4.962 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Br)ccc2OC)CC1 ZINC001435145928 1064546217 /nfs/dbraw/zinc/54/62/17/1064546217.db2.gz ZRXGTNCTMRJTPU-IBGZPJMESA-N 0 0 453.327 4.645 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001435146984 1064547106 /nfs/dbraw/zinc/54/71/06/1064547106.db2.gz CECTXKYAGJLFIL-RDTXWAMCSA-N 0 0 451.514 4.540 20 0 JJADRN CCN(C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001359859238 1064547099 /nfs/dbraw/zinc/54/70/99/1064547099.db2.gz YRTMAFORJBCOBX-JWQCQUIFSA-N 0 0 450.604 4.546 20 0 JJADRN CCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001359859237 1064547344 /nfs/dbraw/zinc/54/73/44/1064547344.db2.gz YRTMAFORJBCOBX-DQEYMECFSA-N 0 0 450.604 4.546 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435148360 1064548589 /nfs/dbraw/zinc/54/85/89/1064548589.db2.gz IGVWDFRNSWBLFB-AWEZNQCLSA-N 0 0 457.283 4.598 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1ccc(I)c(Cl)c1)c1ccccc1 ZINC001435148763 1064548640 /nfs/dbraw/zinc/54/86/40/1064548640.db2.gz NFOZRHKGCKBGGP-MRXNPFEDSA-N 0 0 457.695 4.543 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCc2cc(Br)ccc21 ZINC001435149255 1064549252 /nfs/dbraw/zinc/54/92/52/1064549252.db2.gz NFJYQMBTVOFAFW-LPHOPBHVSA-N 0 0 453.302 4.893 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cc(I)ccc1Br)c1cccnc1 ZINC001359860730 1064550003 /nfs/dbraw/zinc/55/00/03/1064550003.db2.gz RJDNYEDPHDXDES-HNNXBMFYSA-N 0 0 459.125 4.827 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC001435151395 1064551027 /nfs/dbraw/zinc/55/10/27/1064551027.db2.gz BHBTVJTYQQJDLS-INIZCTEOSA-N 0 0 453.539 4.925 20 0 JJADRN COc1ccc(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(OC(F)F)c1 ZINC001435153364 1064552063 /nfs/dbraw/zinc/55/20/63/1064552063.db2.gz STJJIGXROUXWKJ-UHFFFAOYSA-N 0 0 451.429 4.901 20 0 JJADRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC001435153573 1064552156 /nfs/dbraw/zinc/55/21/56/1064552156.db2.gz LHZCCOAZRZEMSY-MRXNPFEDSA-N 0 0 453.507 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1ccc(OC(C)C)cc1 ZINC001359861916 1064552786 /nfs/dbraw/zinc/55/27/86/1064552786.db2.gz ANAQSCOYXAXTFW-UHFFFAOYSA-N 0 0 462.520 4.548 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)COCc1nnc(C)s1 ZINC001435154497 1064552684 /nfs/dbraw/zinc/55/26/84/1064552684.db2.gz IELADIQICCXVKL-UHFFFAOYSA-N 0 0 453.608 4.916 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359862184 1064552933 /nfs/dbraw/zinc/55/29/33/1064552933.db2.gz GJAZJVQTOGIAHE-HNNXBMFYSA-N 0 0 450.484 4.655 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1 ZINC001435155218 1064553260 /nfs/dbraw/zinc/55/32/60/1064553260.db2.gz MUZWEQYDQZUUOJ-JEWAVWJGSA-N 0 0 456.999 4.843 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1sccc1Br ZINC001359862859 1064553271 /nfs/dbraw/zinc/55/32/71/1064553271.db2.gz PPWBUQVTRNHHEQ-UHFFFAOYSA-N 0 0 489.365 4.584 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001359863683 1064553429 /nfs/dbraw/zinc/55/34/29/1064553429.db2.gz RNSVWXFFCSSZPA-UHFFFAOYSA-N 0 0 458.754 4.797 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001359864469 1064554071 /nfs/dbraw/zinc/55/40/71/1064554071.db2.gz NFDYWEPJQHIBSV-FQEVSTJZSA-N 0 0 479.478 4.619 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccnc1)C1CCCC1)c1ccccc1 ZINC001435157449 1064554043 /nfs/dbraw/zinc/55/40/43/1064554043.db2.gz MJEOHCDJBKNSFK-SXOMAYOGSA-N 0 0 455.602 4.821 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)CC2)c1 ZINC001359864633 1064554278 /nfs/dbraw/zinc/55/42/78/1064554278.db2.gz BWBOIYXGDWRFEP-UHFFFAOYSA-N 0 0 452.986 4.609 20 0 JJADRN C[C@@H](C(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(I)cc1 ZINC001435158067 1064554842 /nfs/dbraw/zinc/55/48/42/1064554842.db2.gz YURWIGFIOYFNDM-MRXNPFEDSA-N 0 0 455.380 4.983 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001359865053 1064554882 /nfs/dbraw/zinc/55/48/82/1064554882.db2.gz AYIGANUMPCARQC-GRWTVWFQSA-N 0 0 467.441 4.912 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c2c(n1)onc2C(C)C ZINC001435159486 1064555187 /nfs/dbraw/zinc/55/51/87/1064555187.db2.gz XBFXXXGEAQXJJS-QFIPXVFZSA-N 0 0 456.546 4.659 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ncoc1-c1ccccc1Cl)c1ccccc1 ZINC001435159313 1064555213 /nfs/dbraw/zinc/55/52/13/1064555213.db2.gz VNQYZYOAZMQKIL-QFIPXVFZSA-N 0 0 459.933 4.999 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359865341 1064555369 /nfs/dbraw/zinc/55/53/69/1064555369.db2.gz XJIMJUHDILXFOH-SFHVURJKSA-N 0 0 465.429 4.731 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)CC1 ZINC001435158760 1064555336 /nfs/dbraw/zinc/55/53/36/1064555336.db2.gz UVWOUCDJHNEHEL-UHFFFAOYSA-N 0 0 456.292 4.940 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001435160004 1064555635 /nfs/dbraw/zinc/55/56/35/1064555635.db2.gz FWLSXMCGHXTSAI-MUUNZHRXSA-N 0 0 456.029 4.580 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)N3CCCCC[C@@H]3c3ccc(Cl)cc3)CC2=O)c1 ZINC001435160263 1064556358 /nfs/dbraw/zinc/55/63/58/1064556358.db2.gz YAFMGCGQMMATRE-WZONZLPQSA-N 0 0 456.970 4.854 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H](C)CCc2cccn2C)cc1 ZINC001435160091 1064556411 /nfs/dbraw/zinc/55/64/11/1064556411.db2.gz YQSIBQWYCQIZDT-GOSISDBHSA-N 0 0 456.633 4.721 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001359865829 1064556559 /nfs/dbraw/zinc/55/65/59/1064556559.db2.gz JQDMICYNYIZLDS-FVJLSDCUSA-N 0 0 450.986 4.662 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCCOCC(F)F ZINC001359866617 1064558013 /nfs/dbraw/zinc/55/80/13/1064558013.db2.gz VNNLQAKPCONYKB-GOSISDBHSA-N 0 0 460.928 4.519 20 0 JJADRN COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1NC(=O)C1CCCCC1 ZINC001435162109 1064558063 /nfs/dbraw/zinc/55/80/63/1064558063.db2.gz IVLPHTLFEQZPPS-JOCHJYFZSA-N 0 0 451.567 4.728 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359866599 1064558193 /nfs/dbraw/zinc/55/81/93/1064558193.db2.gz VHLRSOLLSIZZFW-IBGZPJMESA-N 0 0 463.479 4.656 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccccc1 ZINC001435162286 1064558407 /nfs/dbraw/zinc/55/84/07/1064558407.db2.gz QTFNLCLWPCIRFD-KTBRYMIGSA-N 0 0 458.624 4.981 20 0 JJADRN O=C(Cc1ccc2cnccc2c1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435162619 1064558422 /nfs/dbraw/zinc/55/84/22/1064558422.db2.gz MXRWGYHHUPEWIJ-UHFFFAOYSA-N 0 0 452.301 4.765 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccccc1 ZINC001435162287 1064558465 /nfs/dbraw/zinc/55/84/65/1064558465.db2.gz QTFNLCLWPCIRFD-MNAQKMTRSA-N 0 0 458.624 4.981 20 0 JJADRN COc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1NC(=O)C1CCCCC1 ZINC001435162630 1064558988 /nfs/dbraw/zinc/55/89/88/1064558988.db2.gz NERKKLSCMXIBQB-UHFFFAOYSA-N 0 0 454.477 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001359867448 1064559194 /nfs/dbraw/zinc/55/91/94/1064559194.db2.gz BQHYLUNVSLPZEX-POAQFYNOSA-N 0 0 452.521 4.794 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1Cl)c1cnccn1 ZINC001435163364 1064559350 /nfs/dbraw/zinc/55/93/50/1064559350.db2.gz SUHFHHOAXDWLFJ-UZLBHIALSA-N 0 0 471.344 4.765 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359868197 1064560192 /nfs/dbraw/zinc/56/01/92/1064560192.db2.gz IRAKPJPXLIAIPK-FXAWDEMLSA-N 0 0 456.566 4.504 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2cc(Br)ncc2Br)[C@H]1c1ccccc1 ZINC001435164594 1064560526 /nfs/dbraw/zinc/56/05/26/1064560526.db2.gz SIPRYOBOBAPIPC-MEDUHNTESA-N 0 0 456.203 4.925 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)C3(c4cccc(OC(F)(F)F)c4)CCC3)cc2)cn1 ZINC001359868445 1064560609 /nfs/dbraw/zinc/56/06/09/1064560609.db2.gz NLBOJNRIRJYWCG-UHFFFAOYSA-N 0 0 459.424 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359868408 1064560778 /nfs/dbraw/zinc/56/07/78/1064560778.db2.gz KXNVHCYFXBMIND-YADHBBJMSA-N 0 0 489.636 4.743 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001435165285 1064561131 /nfs/dbraw/zinc/56/11/31/1064561131.db2.gz YAFUEVJYEPAECZ-HUUCEWRRSA-N 0 0 453.674 4.885 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(-c3nnc(C)o3)cc2)c2ccc(OC)cc2OC)cc1 ZINC001435165651 1064561527 /nfs/dbraw/zinc/56/15/27/1064561527.db2.gz OASNKFQUVKXCHX-XMMPIXPASA-N 0 0 459.502 4.590 20 0 JJADRN CCOCc1nc(C)c(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)s1 ZINC001435165655 1064561559 /nfs/dbraw/zinc/56/15/59/1064561559.db2.gz OBFQXWRWHPADJA-QFIPXVFZSA-N 0 0 456.564 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCCNc1ccccn1 ZINC001359869220 1064561730 /nfs/dbraw/zinc/56/17/30/1064561730.db2.gz URSHMXYHKOKJEO-OAQYLSRUSA-N 0 0 499.457 4.714 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnc(-c3ccccc3)nc2)c2ccc(OC)cc2OC)cc1 ZINC001435165674 1064561724 /nfs/dbraw/zinc/56/17/24/1064561724.db2.gz OFCZODLFTOZDEN-RUZDIDTESA-N 0 0 455.514 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001359870862 1064562888 /nfs/dbraw/zinc/56/28/88/1064562888.db2.gz SZEDMRKCCROZSN-QFIPXVFZSA-N 0 0 475.628 4.987 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1ccc([S@](C)=O)cc1 ZINC001435167726 1064563071 /nfs/dbraw/zinc/56/30/71/1064563071.db2.gz REDSEZPRJXITBJ-BSEYFRJRSA-N 0 0 455.361 4.626 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC001435167852 1064563155 /nfs/dbraw/zinc/56/31/55/1064563155.db2.gz FTOMFPXOPCHESU-AREMUKBSSA-N 0 0 456.789 4.660 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359871448 1064563426 /nfs/dbraw/zinc/56/34/26/1064563426.db2.gz UQZBLLMIIOZTSJ-NSDWTUMPSA-N 0 0 455.549 4.725 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cs1 ZINC001435168490 1064564003 /nfs/dbraw/zinc/56/40/03/1064564003.db2.gz DNGNRLBFNLILOA-WJOKGBTCSA-N 0 0 455.605 4.617 20 0 JJADRN C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001359874796 1064565039 /nfs/dbraw/zinc/56/50/39/1064565039.db2.gz BPHIJVZQZZIHNZ-FQEVSTJZSA-N 0 0 452.599 4.736 20 0 JJADRN O=C(c1ccoc1Br)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001435170593 1064565146 /nfs/dbraw/zinc/56/51/46/1064565146.db2.gz GYFKLPUZXIYMFJ-UHFFFAOYSA-N 0 0 459.315 4.723 20 0 JJADRN C[S@@](=O)Cc1cc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)ccc1Cl ZINC001435170145 1064565354 /nfs/dbraw/zinc/56/53/54/1064565354.db2.gz NPGSTNMJAGJWPX-GDLZYMKVSA-N 0 0 455.407 4.787 20 0 JJADRN CC(C)Cc1ccc(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 ZINC001359875407 1064565486 /nfs/dbraw/zinc/56/54/86/1064565486.db2.gz KGCAFPOKVUXTJN-UHFFFAOYSA-N 0 0 452.599 4.518 20 0 JJADRN CC[C@]1(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435170949 1064565733 /nfs/dbraw/zinc/56/57/33/1064565733.db2.gz OVONSVDOIUKUKR-ZOYWYXQUSA-N 0 0 456.608 4.970 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001435171074 1064565832 /nfs/dbraw/zinc/56/58/32/1064565832.db2.gz JKOSLSMGZONTJI-NSHDSACASA-N 0 0 453.770 4.661 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC001435170965 1064565893 /nfs/dbraw/zinc/56/58/93/1064565893.db2.gz OZSYXHBOHPPDHI-MUUNZHRXSA-N 0 0 458.377 4.947 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)cc2)n1 ZINC001435171709 1064565904 /nfs/dbraw/zinc/56/59/04/1064565904.db2.gz PRPXBYITZHSGTL-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN CCc1c2ccccc2oc1C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001359876082 1064566561 /nfs/dbraw/zinc/56/65/61/1064566561.db2.gz SUHLVARLFMZCJP-UHFFFAOYSA-N 0 0 450.539 4.700 20 0 JJADRN 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ZINC001359877220 1064567372 /nfs/dbraw/zinc/56/73/72/1064567372.db2.gz OTBQFWNVJKIOCI-HDICACEKSA-N 0 0 460.548 4.772 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2c(I)ccc(Br)c2F)[C@H](C)C1 ZINC001435173860 1064567895 /nfs/dbraw/zinc/56/78/95/1064567895.db2.gz SVIWIRLZFVQJBX-LNLATYFQSA-N 0 0 454.121 4.747 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@](=O)C(C)(C)C)C1 ZINC001359877610 1064567825 /nfs/dbraw/zinc/56/78/25/1064567825.db2.gz CLGDGLTXOBJOEH-MAZCQJGGSA-N 0 0 464.651 4.977 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001435174784 1064568318 /nfs/dbraw/zinc/56/83/18/1064568318.db2.gz YJBHJFZJBIPCHX-UXHICEINSA-N 0 0 459.489 4.961 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001359877918 1064568370 /nfs/dbraw/zinc/56/83/70/1064568370.db2.gz FFEZEZPQFMGCHK-LJQANCHMSA-N 0 0 479.629 4.732 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001435174859 1064568824 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KWTIQFSAKPKVQX-IAQYHMDHSA-N 0 0 454.848 4.815 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)ccn1 ZINC001435178285 1064570968 /nfs/dbraw/zinc/57/09/68/1064570968.db2.gz RHWIDMWVDUQYFC-UHFFFAOYSA-N 0 0 459.852 4.953 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001435178345 1064571082 /nfs/dbraw/zinc/57/10/82/1064571082.db2.gz HFRJHGHUWJWYBB-UHFFFAOYSA-N 0 0 453.848 4.925 20 0 JJADRN CC(C)(C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)C1CCOCC1 ZINC001435178872 1064571606 /nfs/dbraw/zinc/57/16/06/1064571606.db2.gz WLMXVSLGUAPUER-UHFFFAOYSA-N 0 0 459.384 4.770 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001359879345 1064571858 /nfs/dbraw/zinc/57/18/58/1064571858.db2.gz UKDKSQSVTKSIIE-PXNSSMCTSA-N 0 0 495.487 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC(C)C)C1 ZINC001359879318 1064571959 /nfs/dbraw/zinc/57/19/59/1064571959.db2.gz SZXKMVGZILBDAU-KRWDZBQOSA-N 0 0 452.441 4.734 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359879391 1064572252 /nfs/dbraw/zinc/57/22/52/1064572252.db2.gz VEXXJEBFSXYYEI-OAHLLOKOSA-N 0 0 491.400 4.792 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CSCCS2)C1 ZINC001359879401 1064572448 /nfs/dbraw/zinc/57/24/48/1064572448.db2.gz VGDKYAFRBHEVOA-WBVHZDCISA-N 0 0 484.533 4.767 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1 ZINC001435181624 1064572486 /nfs/dbraw/zinc/57/24/86/1064572486.db2.gz WRZHRHXBHHJDKW-JGCGQSQUSA-N 0 0 452.507 4.781 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](F)c2ccc(Br)cc2)C1 ZINC001359879440 1064572696 /nfs/dbraw/zinc/57/26/96/1064572696.db2.gz VXVDRABOHAFCOK-APWZRJJASA-N 0 0 480.426 4.762 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001435181693 1064573167 /nfs/dbraw/zinc/57/31/67/1064573167.db2.gz UMAMDJWVMVBXSX-OAQYLSRUSA-N 0 0 459.606 4.646 20 0 JJADRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001435182157 1064573205 /nfs/dbraw/zinc/57/32/05/1064573205.db2.gz CDKXIESUGGHXLJ-LJQANCHMSA-N 0 0 452.938 4.740 20 0 JJADRN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001435182155 1064573222 /nfs/dbraw/zinc/57/32/22/1064573222.db2.gz CDKXIESUGGHXLJ-IBGZPJMESA-N 0 0 452.938 4.740 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001359879666 1064573414 /nfs/dbraw/zinc/57/34/14/1064573414.db2.gz ZWKCONPRCYWTGQ-SLFFLAALSA-N 0 0 495.089 4.769 20 0 JJADRN C[C@H](NC(=O)c1nccnc1Sc1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435182957 1064573540 /nfs/dbraw/zinc/57/35/40/1064573540.db2.gz GPPDLQZIJQWAEH-KRWDZBQOSA-N 0 0 455.543 4.766 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435183823 1064573990 /nfs/dbraw/zinc/57/39/90/1064573990.db2.gz JDOHGKDASANSFP-ZJSXRUAMSA-N 0 0 454.998 4.793 20 0 JJADRN Cn1cnc2cccc(C(=O)Nc3ccc(CNC(=O)c4ccc(C(F)(F)F)cc4)cc3)c21 ZINC001435183771 1064574021 /nfs/dbraw/zinc/57/40/21/1064574021.db2.gz KPRPWWSCNSVBEQ-UHFFFAOYSA-N 0 0 452.436 4.774 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOC[C@H]2C)C1 ZINC001359880808 1064574467 /nfs/dbraw/zinc/57/44/67/1064574467.db2.gz JLYQEOAPRZQOEA-MSOLQXFVSA-N 0 0 466.457 4.845 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOC[C@@H]2C)C1 ZINC001359880810 1064574528 /nfs/dbraw/zinc/57/45/28/1064574528.db2.gz JLYQEOAPRZQOEA-ROUUACIJSA-N 0 0 466.457 4.845 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)NCCCO[C@@H]2CCCc3ccccc32)n1 ZINC001435185501 1064574439 /nfs/dbraw/zinc/57/44/39/1064574439.db2.gz OZNKZEUNAOYAEJ-HXUWFJFHSA-N 0 0 456.587 4.566 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccccc1 ZINC001435185788 1064575036 /nfs/dbraw/zinc/57/50/36/1064575036.db2.gz QLKPXYYZORCFFL-RPWUZVMVSA-N 0 0 452.595 4.895 20 0 JJADRN C[C@@H](NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185815 1064575089 /nfs/dbraw/zinc/57/50/89/1064575089.db2.gz SPNSKFLEPGTAAW-QRQCRPRQSA-N 0 0 454.933 4.607 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(=O)N(C)C)C1 ZINC001359881418 1064575121 /nfs/dbraw/zinc/57/51/21/1064575121.db2.gz PBJVIRIGDVYMSB-KRWDZBQOSA-N 0 0 455.603 4.773 20 0 JJADRN CCOC[C@@H]1CCCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)C1 ZINC001435185894 1064575265 /nfs/dbraw/zinc/57/52/65/1064575265.db2.gz PCOZNQVISWXNEH-GOSISDBHSA-N 0 0 459.384 4.519 20 0 JJADRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(CS(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC001435186304 1064575670 /nfs/dbraw/zinc/57/56/70/1064575670.db2.gz QDPCYDYWHSLREP-QFIPXVFZSA-N 0 0 454.617 4.883 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)OCc1ccccc1 ZINC001435186004 1064575841 /nfs/dbraw/zinc/57/58/41/1064575841.db2.gz RSXCCELBHYFARS-FQEVSTJZSA-N 0 0 459.468 4.779 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359882065 1064576166 /nfs/dbraw/zinc/57/61/66/1064576166.db2.gz WXMKXVODDCAHPJ-SFTDATJTSA-N 0 0 468.646 4.860 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](C)Oc2ccccc2)CC1 ZINC001435187194 1064576699 /nfs/dbraw/zinc/57/66/99/1064576699.db2.gz UUFOWUZWHWZQCE-FNFLUXIASA-N 0 0 450.623 4.760 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359882367 1064576757 /nfs/dbraw/zinc/57/67/57/1064576757.db2.gz AGGWEEXGJGMGFP-LJQANCHMSA-N 0 0 459.610 4.747 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)C1 ZINC001359883018 1064577350 /nfs/dbraw/zinc/57/73/50/1064577350.db2.gz FSMJYGKRFWENLU-MOPGFXCFSA-N 0 0 485.620 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001359883609 1064577625 /nfs/dbraw/zinc/57/76/25/1064577625.db2.gz JKZPWVAQEKZTOW-ADSBAMQRSA-N 0 0 451.080 4.942 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2CCOC2)C1 ZINC001359883239 1064577637 /nfs/dbraw/zinc/57/76/37/1064577637.db2.gz HIFHGBMMUIGQSB-FKBYEOEOSA-N 0 0 475.678 4.692 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001359883599 1064577668 /nfs/dbraw/zinc/57/76/68/1064577668.db2.gz JHUSOMONSGUPNP-IZVMNLJQSA-N 0 0 489.705 4.816 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001359883815 1064578250 /nfs/dbraw/zinc/57/82/50/1064578250.db2.gz JUGZTDKQCRCDFJ-RBUKOAKNSA-N 0 0 467.536 4.777 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001359883830 1064578335 /nfs/dbraw/zinc/57/83/35/1064578335.db2.gz JUSJOUUJLASFQA-QRFRQXIXSA-N 0 0 467.511 4.723 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)s2)cc1 ZINC001435189245 1064578946 /nfs/dbraw/zinc/57/89/46/1064578946.db2.gz QMGICJMQDXUUCB-LIRRHRJNSA-N 0 0 457.621 4.820 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001435189820 1064579043 /nfs/dbraw/zinc/57/90/43/1064579043.db2.gz DSEIUNBFNNZQAW-JIMJEQGWSA-N 0 0 463.599 4.725 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)C1 ZINC001359884771 1064579125 /nfs/dbraw/zinc/57/91/25/1064579125.db2.gz QHPWEMBQTWYNSK-IFMALSPDSA-N 0 0 487.620 4.646 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359884792 1064579197 /nfs/dbraw/zinc/57/91/97/1064579197.db2.gz QLJHGLBFWHVMAN-ZWKOTPCHSA-N 0 0 467.536 4.537 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@@H]2C)C1 ZINC001359884795 1064579342 /nfs/dbraw/zinc/57/93/42/1064579342.db2.gz QNILTLPHTXHRPG-MYDTUXCISA-N 0 0 489.705 4.938 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190130 1064579768 /nfs/dbraw/zinc/57/97/68/1064579768.db2.gz GFVVBMGBVKVVAG-WMLDXEAASA-N 0 0 455.393 4.579 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(-c3ccccc3)ns2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435191706 1064580962 /nfs/dbraw/zinc/58/09/62/1064580962.db2.gz XBSHKJHYIVGVTP-UHFFFAOYSA-N 0 0 456.449 4.936 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CC(C)C)c1 ZINC001435192106 1064581043 /nfs/dbraw/zinc/58/10/43/1064581043.db2.gz BRWGIKXDQFZSIV-HSZRJFAPSA-N 0 0 458.624 4.569 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001435191729 1064581128 /nfs/dbraw/zinc/58/11/28/1064581128.db2.gz OECRHGIXIGESDX-PKOBYXMFSA-N 0 0 457.596 4.814 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001435192823 1064581425 /nfs/dbraw/zinc/58/14/25/1064581425.db2.gz CYNUYZZPJWOGDT-UHFFFAOYSA-N 0 0 454.527 4.930 20 0 JJADRN COc1ccc(CN(C(=O)Cn2nc(C(F)(F)F)cc2C)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001359886267 1064581840 /nfs/dbraw/zinc/58/18/40/1064581840.db2.gz DKXHYFJWNWPOMW-UHFFFAOYSA-N 0 0 457.456 4.637 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001359886108 1064581868 /nfs/dbraw/zinc/58/18/68/1064581868.db2.gz ITFXSRBFHHTQTL-XWVZOOPGSA-N 0 0 499.675 4.552 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cnn1-c1ccccc1Cl ZINC001435192999 1064581919 /nfs/dbraw/zinc/58/19/19/1064581919.db2.gz WFLWCXMZUMVWRT-OAHLLOKOSA-N 0 0 459.775 4.605 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001359886478 1064582067 /nfs/dbraw/zinc/58/20/67/1064582067.db2.gz MEWUQFFRNHYMOS-WOJBJXKFSA-N 0 0 457.585 4.666 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435194064 1064582454 /nfs/dbraw/zinc/58/24/54/1064582454.db2.gz DOTLISHTMYKFGM-FPDPHYFHSA-N 0 0 459.359 4.597 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C1 ZINC001359886973 1064582898 /nfs/dbraw/zinc/58/28/98/1064582898.db2.gz RBBNEFASDZOPKJ-QTGUNEKASA-N 0 0 471.621 4.847 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001359887031 1064583045 /nfs/dbraw/zinc/58/30/45/1064583045.db2.gz RTNATDMPTPSRAM-LJQANCHMSA-N 0 0 487.620 4.736 20 0 JJADRN O=C(O[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(Cn2cncn2)c1 ZINC001359887343 1064583394 /nfs/dbraw/zinc/58/33/94/1064583394.db2.gz MIBYEPKHUWZRJL-KRWDZBQOSA-N 0 0 454.246 4.939 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cccc(F)c2)C1 ZINC001359887433 1064583670 /nfs/dbraw/zinc/58/36/70/1064583670.db2.gz VJQXLFYNKAOIAN-FQEVSTJZSA-N 0 0 469.630 4.914 20 0 JJADRN CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC001359887619 1064583897 /nfs/dbraw/zinc/58/38/97/1064583897.db2.gz OOHRQDZCNLPPAJ-IBGZPJMESA-N 0 0 459.493 4.635 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001435196184 1064584071 /nfs/dbraw/zinc/58/40/71/1064584071.db2.gz MSBXZARIDCNRCQ-LMVRJCEZSA-N 0 0 458.599 4.511 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cnc(-c2ccncc2)s1 ZINC001435196236 1064584348 /nfs/dbraw/zinc/58/43/48/1064584348.db2.gz BEAFQNQBMSTGJK-UHFFFAOYSA-N 0 0 454.353 4.659 20 0 JJADRN Cc1cc(C2(C(=O)Nc3ccc(N4CCOCC4)cn3)CCCCC2)ccc1Br ZINC001359887943 1064584481 /nfs/dbraw/zinc/58/44/81/1064584481.db2.gz ZINFVXJIFNBIKS-UHFFFAOYSA-N 0 0 458.400 4.830 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC001359888276 1064584964 /nfs/dbraw/zinc/58/49/64/1064584964.db2.gz ZDZDHYKKLXTJCS-IBGZPJMESA-N 0 0 455.967 4.561 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001359888549 1064585502 /nfs/dbraw/zinc/58/55/02/1064585502.db2.gz FISIJLGUKSWCPR-XMMPIXPASA-N 0 0 489.089 4.959 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C2CCC1(C)CC2 ZINC001359888410 1064585592 /nfs/dbraw/zinc/58/55/92/1064585592.db2.gz CICOWDDMSBOUCB-IVXJCAOYSA-N 0 0 464.452 4.755 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001359888650 1064586038 /nfs/dbraw/zinc/58/60/38/1064586038.db2.gz HPOXGUDWJZEOJP-HSZRJFAPSA-N 0 0 491.474 4.902 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)c1noc(C)n1 ZINC001435198678 1064586329 /nfs/dbraw/zinc/58/63/29/1064586329.db2.gz KAJUCAYAHDGITR-FQEVSTJZSA-N 0 0 452.511 4.561 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1 ZINC001359888991 1064586385 /nfs/dbraw/zinc/58/63/85/1064586385.db2.gz KAJPXWIQQGCITI-QHCPKHFHSA-N 0 0 453.002 4.788 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001359888687 1064586415 /nfs/dbraw/zinc/58/64/15/1064586415.db2.gz AQCRGEFOZGZHSU-INIZCTEOSA-N 0 0 450.848 4.756 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435200116 1064587212 /nfs/dbraw/zinc/58/72/12/1064587212.db2.gz QZVFOOYGWUNONY-KRWDZBQOSA-N 0 0 452.795 4.815 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)CC1 ZINC001435200158 1064587270 /nfs/dbraw/zinc/58/72/70/1064587270.db2.gz 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CC(C)CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001359898583 1064602318 /nfs/dbraw/zinc/60/23/18/1064602318.db2.gz AXLFUNDJENAQGP-MJAIZRIDSA-N 0 0 477.694 4.718 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001359898551 1064602326 /nfs/dbraw/zinc/60/23/26/1064602326.db2.gz AHYYMCSWRBSFMO-ZHRMCQFGSA-N 0 0 493.574 4.624 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359898601 1064602362 /nfs/dbraw/zinc/60/23/62/1064602362.db2.gz BDNISRUQLITQJQ-SXOMAYOGSA-N 0 0 488.673 4.688 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359898549 1064602428 /nfs/dbraw/zinc/60/24/28/1064602428.db2.gz AHYYMCSWRBSFMO-VNZMSGEBSA-N 0 0 493.574 4.624 20 0 JJADRN C[C@H](C(=O)NCCCCSc1ccccc1Br)n1ccc(C(F)(F)F)n1 ZINC001435222201 1064603090 /nfs/dbraw/zinc/60/30/90/1064603090.db2.gz SOHJAPCZHTXEAC-GFCCVEGCSA-N 0 0 450.324 4.914 20 0 JJADRN 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ZYQUKTYLILUSNN-FQEVSTJZSA-N 0 0 468.671 4.914 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435265151 1064642591 /nfs/dbraw/zinc/64/25/91/1064642591.db2.gz JCURNRMMSRJJFO-KAUXGEHWSA-N 0 0 452.860 4.954 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359918816 1064642575 /nfs/dbraw/zinc/64/25/75/1064642575.db2.gz PVZPLWBTOTUSJU-QFIPXVFZSA-N 0 0 469.586 4.624 20 0 JJADRN CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001359918860 1064642583 /nfs/dbraw/zinc/64/25/83/1064642583.db2.gz QNVKBQUOZIQIQU-UHFFFAOYSA-N 0 0 485.583 4.584 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)C2)cc1 ZINC001435265904 1064643402 /nfs/dbraw/zinc/64/34/02/1064643402.db2.gz OEIRIFKPFWCBHH-HSZRJFAPSA-N 0 0 450.579 4.600 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Oc2cccc(OCC(F)(F)F)c2)cc1 ZINC001359920027 1064644206 /nfs/dbraw/zinc/64/42/06/1064644206.db2.gz GYHIUVWCIFDAOD-UHFFFAOYSA-N 0 0 454.404 4.854 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Br)s1 ZINC001359920238 1064644306 /nfs/dbraw/zinc/64/43/06/1064644306.db2.gz MXAACXTWVFYIMR-LBPRGKRZSA-N 0 0 457.243 4.511 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1)c1ccccc1 ZINC001435268360 1064646933 /nfs/dbraw/zinc/64/69/33/1064646933.db2.gz QXUFOIWHOGWQPJ-JOCHJYFZSA-N 0 0 451.885 4.887 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccnc(Oc3ccccc3Br)c1)C2 ZINC001435268409 1064646938 /nfs/dbraw/zinc/64/69/38/1064646938.db2.gz QWXZIXJDHZOUSC-OAHLLOKOSA-N 0 0 455.308 4.835 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)ccc1Br ZINC001435268793 1064647415 /nfs/dbraw/zinc/64/74/15/1064647415.db2.gz CKHFJKIFLQGVNJ-HXUWFJFHSA-N 0 0 457.412 4.747 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)nn1-c1ccc(Cl)cc1Cl ZINC001435270339 1064648596 /nfs/dbraw/zinc/64/85/96/1064648596.db2.gz HNTBQMKVHMQYIO-GOSISDBHSA-N 0 0 457.361 4.522 20 0 JJADRN CCc1nc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)nn1-c1ccccc1Cl ZINC001435271655 1064649246 /nfs/dbraw/zinc/64/92/46/1064649246.db2.gz HECZGBLVUCVLQE-UHFFFAOYSA-N 0 0 456.984 4.976 20 0 JJADRN CC(C)CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CSc2ccccc21 ZINC001359921971 1064649265 /nfs/dbraw/zinc/64/92/65/1064649265.db2.gz YGJOTIOMLGUVBD-QGZVFWFLSA-N 0 0 455.653 4.641 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC001435271335 1064649384 /nfs/dbraw/zinc/64/93/84/1064649384.db2.gz USOURGPIHSWGQB-IQWMQGJTSA-N 0 0 456.627 4.570 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001435271425 1064649407 /nfs/dbraw/zinc/64/94/07/1064649407.db2.gz FNCQCRYCFUKUCC-UHFFFAOYSA-N 0 0 459.218 4.865 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccnn1Cc1ccccc1F ZINC001359921917 1064649424 /nfs/dbraw/zinc/64/94/24/1064649424.db2.gz DQPFBSJBXLUBOP-LBPRGKRZSA-N 0 0 452.711 4.892 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC001359923094 1064650480 /nfs/dbraw/zinc/65/04/80/1064650480.db2.gz XJVRZMNDDBGXQL-UHFFFAOYSA-N 0 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CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC001359923706 1064653566 /nfs/dbraw/zinc/65/35/66/1064653566.db2.gz SZXPBGGPJJFNRU-APWZRJJASA-N 0 0 464.452 4.612 20 0 JJADRN CC(C)CCN(c1nnc(-c2cccn2C)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 ZINC001359923761 1064653605 /nfs/dbraw/zinc/65/36/05/1064653605.db2.gz UXNGMSYPBNASSZ-UHFFFAOYSA-N 0 0 469.943 4.753 20 0 JJADRN CCN(CC)C(=O)c1ccc(OC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC001435275427 1064654078 /nfs/dbraw/zinc/65/40/78/1064654078.db2.gz KSJVXLQTVGPEKB-JOCHJYFZSA-N 0 0 458.558 4.780 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC001359924091 1064654340 /nfs/dbraw/zinc/65/43/40/1064654340.db2.gz GVKRPEAWICNSJF-LXPRWKDFSA-N 0 0 476.609 4.564 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C(C)C)C1CC1 ZINC001359923934 1064654372 /nfs/dbraw/zinc/65/43/72/1064654372.db2.gz BQXWJYDFNIILHO-HBMCJLEFSA-N 0 0 461.651 4.818 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1)C1CC1 ZINC001359924190 1064654375 /nfs/dbraw/zinc/65/43/75/1064654375.db2.gz JACYRQQCFCQXCC-LJQANCHMSA-N 0 0 483.604 4.647 20 0 JJADRN CC(C)CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(I)cc1)C1CC1 ZINC001359924061 1064654382 /nfs/dbraw/zinc/65/43/82/1064654382.db2.gz GCHOJGKRBYVTHM-UHFFFAOYSA-N 0 0 475.378 4.941 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC001359924237 1064654396 /nfs/dbraw/zinc/65/43/96/1064654396.db2.gz KBJNJRAIRNURKZ-XPNTWCBSSA-N 0 0 489.705 4.959 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H](C)OCc2ccc(C)cc2)c2ccc(OC)cc2)n1 ZINC001435276351 1064654702 /nfs/dbraw/zinc/65/47/02/1064654702.db2.gz GIZKTEPDUAWURE-QGZVFWFLSA-N 0 0 454.548 4.907 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CC1(CC)CCCC1 ZINC001545889932 1064654717 /nfs/dbraw/zinc/65/47/17/1064654717.db2.gz LSLWRRDKYXSHCG-UHFFFAOYSA-N 0 0 493.578 4.538 20 0 JJADRN CC(C)CCN(c1nnc(-c2cnccn2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001359924364 1064655025 /nfs/dbraw/zinc/65/50/25/1064655025.db2.gz NLVPNRMPPNGMPY-UHFFFAOYSA-N 0 0 460.504 4.891 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001359924702 1064655812 /nfs/dbraw/zinc/65/58/12/1064655812.db2.gz WVGZUMYPWBDIHT-SFTDATJTSA-N 0 0 475.678 4.834 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 ZINC001435278842 1064657168 /nfs/dbraw/zinc/65/71/68/1064657168.db2.gz YEMOZCOFJDYROR-UHFFFAOYSA-N 0 0 456.911 4.696 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC001435278619 1064657263 /nfs/dbraw/zinc/65/72/63/1064657263.db2.gz WTMWHWJMSHQUFA-INIZCTEOSA-N 0 0 458.580 4.517 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)Cc2cccc(OCc3ccccc3C)c2)C2CC2)n1 ZINC001435279804 1064657936 /nfs/dbraw/zinc/65/79/36/1064657936.db2.gz YNSHOWWKLZIUBL-UHFFFAOYSA-N 0 0 450.560 4.945 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c(Br)cc1F ZINC001435280425 1064657971 /nfs/dbraw/zinc/65/79/71/1064657971.db2.gz LSVBNSVSLUNFBJ-UHFFFAOYSA-N 0 0 453.289 4.581 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 ZINC001359926476 1064658790 /nfs/dbraw/zinc/65/87/90/1064658790.db2.gz POSZYATWCIAFAA-LJQANCHMSA-N 0 0 456.635 4.534 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435281170 1064658999 /nfs/dbraw/zinc/65/89/99/1064658999.db2.gz VDXAEFZFBJVDEM-VQTJNVASSA-N 0 0 457.412 4.980 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cn1)C1CC1 ZINC001359926574 1064659316 /nfs/dbraw/zinc/65/93/16/1064659316.db2.gz UGLRYWHINCBLRS-MSEWRSJXSA-N 0 0 472.609 4.646 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(NC(N)=O)cc1)C1CC1 ZINC001359926554 1064659321 /nfs/dbraw/zinc/65/93/21/1064659321.db2.gz SJXRUJSJWAGCNV-FGZHOGPDSA-N 0 0 468.646 4.751 20 0 JJADRN CSc1ncc(C(=O)Oc2ccc(C)cc2I)n1-c1ccccc1 ZINC001435282465 1064659610 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20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc(C(F)(F)F)cs1 ZINC001435287949 1064664144 /nfs/dbraw/zinc/66/41/44/1064664144.db2.gz BGPOSHDHYUMOAI-CQSZACIVSA-N 0 0 457.543 4.758 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c2cc(Br)ccc2n1 ZINC001359928200 1064664592 /nfs/dbraw/zinc/66/45/92/1064664592.db2.gz UCVINUZEXJIJMK-NRFANRHFSA-N 0 0 453.336 4.654 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001359928545 1064664631 /nfs/dbraw/zinc/66/46/31/1064664631.db2.gz IDHKEEMGSGINGK-NSHDSACASA-N 0 0 454.495 4.745 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)n1 ZINC001435288243 1064664735 /nfs/dbraw/zinc/66/47/35/1064664735.db2.gz HTOMGSJLEWXVIM-GOSISDBHSA-N 0 0 459.550 4.854 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001359928976 1064665479 /nfs/dbraw/zinc/66/54/79/1064665479.db2.gz RYQFGNHIWBUXIV-IUODEOHRSA-N 0 0 459.493 4.766 20 0 JJADRN CCCC1CCC(N(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C(C)C)CC1 ZINC001359929217 1064665495 /nfs/dbraw/zinc/66/54/95/1064665495.db2.gz YXGGNULTUQICKP-UHFFFAOYSA-N 0 0 457.615 4.790 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)Oc1ccccc1F ZINC001435289676 1064665570 /nfs/dbraw/zinc/66/55/70/1064665570.db2.gz JAUCZOBVDYLYJP-ZDUSSCGKSA-N 0 0 455.839 4.940 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)cc2)c1C ZINC001435291004 1064666648 /nfs/dbraw/zinc/66/66/48/1064666648.db2.gz NFIHHXWAYKMECP-CLOONOSVSA-N 0 0 459.590 4.861 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001435292138 1064667317 /nfs/dbraw/zinc/66/73/17/1064667317.db2.gz VKDLQCLVNJTJCT-LJQANCHMSA-N 0 0 450.608 4.617 20 0 JJADRN CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359930526 1064668454 /nfs/dbraw/zinc/66/84/54/1064668454.db2.gz KVIZCHRYAUHCFD-UHFFFAOYSA-N 0 0 462.038 4.692 20 0 JJADRN Cc1c(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)nnn1-c1ccc(C)cc1 ZINC001435292686 1064668697 /nfs/dbraw/zinc/66/86/97/1064668697.db2.gz XTERIGFDLVSECE-UHFFFAOYSA-N 0 0 459.413 4.947 20 0 JJADRN Cc1csc([C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)n1 ZINC001435293233 1064668901 /nfs/dbraw/zinc/66/89/01/1064668901.db2.gz UVYOANVKEDQPIH-NRFANRHFSA-N 0 0 456.589 4.717 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC001435293515 1064669745 /nfs/dbraw/zinc/66/97/45/1064669745.db2.gz HMFXVBXLUXIVFR-LBPRGKRZSA-N 0 0 457.162 4.726 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 ZINC001435293989 1064669768 /nfs/dbraw/zinc/66/97/68/1064669768.db2.gz YWZJBOPYDFVZBE-AWEZNQCLSA-N 0 0 455.902 4.538 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(OCC(F)F)nc1)C1CC1 ZINC001359932259 1064669931 /nfs/dbraw/zinc/66/99/31/1064669931.db2.gz MMRHTOIUCRCDJW-UHFFFAOYSA-N 0 0 455.299 4.692 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(P(C)(C)=O)cc1)C1CC1 ZINC001359932134 1064669961 /nfs/dbraw/zinc/66/99/61/1064669961.db2.gz IMYYNGZCZFBHRL-UHFFFAOYSA-N 0 0 450.313 4.901 20 0 JJADRN C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)Oc1ccc(Cl)cc1 ZINC001435294584 1064670108 /nfs/dbraw/zinc/67/01/08/1064670108.db2.gz RDCOVEDSVUPSSQ-FOIQADDNSA-N 0 0 451.792 4.823 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C ZINC001435294790 1064670286 /nfs/dbraw/zinc/67/02/86/1064670286.db2.gz DNJASNRUVRXQOJ-LFRPXUGBSA-N 0 0 459.468 4.806 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(C(N)=O)cc3F)c2c1C ZINC001435294855 1064671311 /nfs/dbraw/zinc/67/13/11/1064671311.db2.gz FFPCJBKANDUYNH-UHFFFAOYSA-N 0 0 452.536 4.950 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359932827 1064671479 /nfs/dbraw/zinc/67/14/79/1064671479.db2.gz GQVSXERZDUUBFE-GOSISDBHSA-N 0 0 478.357 4.612 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)ccc1NC(=O)CC(C)C ZINC001435295967 1064671768 /nfs/dbraw/zinc/67/17/68/1064671768.db2.gz PFKLTDSKPCGMSS-UHFFFAOYSA-N 0 0 452.946 4.738 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001435295879 1064671919 /nfs/dbraw/zinc/67/19/19/1064671919.db2.gz OKXFFYVGNVYEPQ-KRWDZBQOSA-N 0 0 453.178 4.691 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001359932910 1064671970 /nfs/dbraw/zinc/67/19/70/1064671970.db2.gz IRMXMVXSFSRYFG-CQSZACIVSA-N 0 0 451.438 4.789 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001359932900 1064672066 /nfs/dbraw/zinc/67/20/66/1064672066.db2.gz ILDLEWKHEMKHGP-RBUKOAKNSA-N 0 0 472.634 4.943 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359932854 1064672133 /nfs/dbraw/zinc/67/21/33/1064672133.db2.gz HFCUFVYLNILRCN-KRWDZBQOSA-N 0 0 457.516 4.678 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001435297088 1064672875 /nfs/dbraw/zinc/67/28/75/1064672875.db2.gz KNCXDQNYMUOAEE-YCRPNKLZSA-N 0 0 457.361 4.661 20 0 JJADRN CC(C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001359933196 1064673005 /nfs/dbraw/zinc/67/30/05/1064673005.db2.gz OZMJGUOBGOYYPZ-UHFFFAOYSA-N 0 0 462.570 4.766 20 0 JJADRN COc1ccc(C(=O)Nc2ncc(I)cc2C)c(OCCC(C)C)c1 ZINC001435299484 1064674314 /nfs/dbraw/zinc/67/43/14/1064674314.db2.gz APMBQEKHDRUUHW-UHFFFAOYSA-N 0 0 454.308 4.680 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001359933511 1064674459 /nfs/dbraw/zinc/67/44/59/1064674459.db2.gz JVOVJEKIMJDJDC-MRXNPFEDSA-N 0 0 462.019 4.641 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359933563 1064674527 /nfs/dbraw/zinc/67/45/27/1064674527.db2.gz TWRUNVRBUHUQDK-MRXNPFEDSA-N 0 0 475.506 4.626 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001435300252 1064675338 /nfs/dbraw/zinc/67/53/38/1064675338.db2.gz DJFRSUMJWHICEC-GFCCVEGCSA-N 0 0 451.695 4.621 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC001435301624 1064676895 /nfs/dbraw/zinc/67/68/95/1064676895.db2.gz KXJSFJXGHMSAHR-UHFFFAOYSA-N 0 0 453.495 4.965 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001435302741 1064677716 /nfs/dbraw/zinc/67/77/16/1064677716.db2.gz SYQGXFTYMPUXQX-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001359934355 1064677877 /nfs/dbraw/zinc/67/78/77/1064677877.db2.gz FGNLPXORPOGDGK-WMZHIEFXSA-N 0 0 456.608 4.626 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC001359935275 1064678634 /nfs/dbraw/zinc/67/86/34/1064678634.db2.gz DVNGFKDFMIPGDF-LJQANCHMSA-N 0 0 458.580 4.939 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359936037 1064679433 /nfs/dbraw/zinc/67/94/33/1064679433.db2.gz QHCIHHFKDHDKGE-FCHUYYIVSA-N 0 0 457.521 4.610 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001435307330 1064680964 /nfs/dbraw/zinc/68/09/64/1064680964.db2.gz OTLWBHGACRPFKZ-KDOFPFPSSA-N 0 0 459.493 4.677 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)ccc1F ZINC001359937775 1064681049 /nfs/dbraw/zinc/68/10/49/1064681049.db2.gz DUZWKCSYXLGBBF-OSPHWJPCSA-N 0 0 453.558 4.802 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2C)c1 ZINC001435308367 1064681431 /nfs/dbraw/zinc/68/14/31/1064681431.db2.gz ZPZOYIZWEWZLIX-UHFFFAOYSA-N 0 0 459.955 4.647 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 ZINC001435307815 1064681540 /nfs/dbraw/zinc/68/15/40/1064681540.db2.gz IVVTUAQWESYQAU-UPVQGACJSA-N 0 0 455.620 4.674 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001435307853 1064681575 /nfs/dbraw/zinc/68/15/75/1064681575.db2.gz JHZJBSVPHSHGES-AKFKNWHVSA-N 0 0 454.998 4.785 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939150 1064682539 /nfs/dbraw/zinc/68/25/39/1064682539.db2.gz UOHDIAMGAFMZQL-CCLHPLFOSA-N 0 0 458.606 4.937 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1 ZINC001359940552 1064684947 /nfs/dbraw/zinc/68/49/47/1064684947.db2.gz IFPYGLVMUPTGPD-RBUKOAKNSA-N 0 0 453.560 4.775 20 0 JJADRN O=C(N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ocnc1C1CC1 ZINC001359940438 1064685125 /nfs/dbraw/zinc/68/51/25/1064685125.db2.gz FUMUUWAOTJPNKF-GOSISDBHSA-N 0 0 458.287 4.563 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001435311071 1064685062 /nfs/dbraw/zinc/68/50/62/1064685062.db2.gz WMYQYQASJLNXQZ-KRWDZBQOSA-N 0 0 451.954 4.635 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001435311119 1064685230 /nfs/dbraw/zinc/68/52/30/1064685230.db2.gz BJZHCDDVEHKNQU-JPYJTQIMSA-N 0 0 450.579 4.509 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)o1 ZINC001435313462 1064685877 /nfs/dbraw/zinc/68/58/77/1064685877.db2.gz PXUCMTXVBUVZNU-MSYCTHLASA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c(Cc2cccnc2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC001359942960 1064687325 /nfs/dbraw/zinc/68/73/25/1064687325.db2.gz OFYNUPXOQXYASV-UHFFFAOYSA-N 0 0 464.017 4.904 20 0 JJADRN Cc1csc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)n1 ZINC001435315325 1064687390 /nfs/dbraw/zinc/68/73/90/1064687390.db2.gz DMXRFHQLMIOJMP-UHFFFAOYSA-N 0 0 452.792 4.999 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435315780 1064687499 /nfs/dbraw/zinc/68/74/99/1064687499.db2.gz AINANCVBDFOQQQ-HSZRJFAPSA-N 0 0 455.601 4.558 20 0 JJADRN CC(C)CCn1c(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359944027 1064689177 /nfs/dbraw/zinc/68/91/77/1064689177.db2.gz MZMDXSDTADQVMJ-FQRUVTKNSA-N 0 0 485.629 4.519 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](C)Oc3cccc(F)c3)[C@H]2c2cccs2)cc1 ZINC001435316618 1064689207 /nfs/dbraw/zinc/68/92/07/1064689207.db2.gz RRHFQPXUORSSIP-JBUDQFAYSA-N 0 0 452.551 4.874 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001359944353 1064690756 /nfs/dbraw/zinc/69/07/56/1064690756.db2.gz RJJHSMHKEROJGW-UHFFFAOYSA-N 0 0 466.095 4.817 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)c2ccccc2O1 ZINC001435318082 1064690923 /nfs/dbraw/zinc/69/09/23/1064690923.db2.gz HIHFZVHYXGJIDI-QGZVFWFLSA-N 0 0 458.299 4.900 20 0 JJADRN CC[C@@H](C(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC001435318133 1064691048 /nfs/dbraw/zinc/69/10/48/1064691048.db2.gz ORLWIGSBZXWURG-DNQXCXABSA-N 0 0 455.551 4.637 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001359944691 1064692496 /nfs/dbraw/zinc/69/24/96/1064692496.db2.gz YRULYWPYIKSSOR-UHFFFAOYSA-N 0 0 485.057 4.627 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1F ZINC001359945078 1064692557 /nfs/dbraw/zinc/69/25/57/1064692557.db2.gz BIOJRONXZRKBHK-HXUWFJFHSA-N 0 0 456.514 4.943 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCCc2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319226 1064692639 /nfs/dbraw/zinc/69/26/39/1064692639.db2.gz ZHPNTHBJWALTAP-AREMUKBSSA-N 0 0 451.588 4.636 20 0 JJADRN CC1(C)CO[C@@H](CCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001435319449 1064692669 /nfs/dbraw/zinc/69/26/69/1064692669.db2.gz CYADLGJUKOLFOD-SIKLNZKXSA-N 0 0 450.000 4.544 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 ZINC001435319203 1064692705 /nfs/dbraw/zinc/69/27/05/1064692705.db2.gz YTOOGZYCZZWSOZ-UHFFFAOYSA-N 0 0 458.331 4.518 20 0 JJADRN COC(C)(C)C[C@@H](C)NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001435319004 1064692758 /nfs/dbraw/zinc/69/27/58/1064692758.db2.gz MCYWIZPTPBQRES-CYBMUJFWSA-N 0 0 452.502 4.948 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc3cccnc32)c2ccc(Cl)cc2)c1 ZINC001435320031 1064693761 /nfs/dbraw/zinc/69/37/61/1064693761.db2.gz KRTCBELWBVHIKV-JOCHJYFZSA-N 0 0 450.947 4.811 20 0 JJADRN COc1nc(C)ccc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001359946664 1064694093 /nfs/dbraw/zinc/69/40/93/1064694093.db2.gz NOTNEFJMQPXBCI-QHCPKHFHSA-N 0 0 450.583 4.728 20 0 JJADRN C[C@@H]1Cc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccc(S(C)(=O)=O)c3)ccc2O1 ZINC001435320371 1064694386 /nfs/dbraw/zinc/69/43/86/1064694386.db2.gz OBFGNUJMPXFIRA-IQMFZBJNSA-N 0 0 455.963 4.586 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320153 1064694484 /nfs/dbraw/zinc/69/44/84/1064694484.db2.gz LFMGYTSHYNOCLF-ZNFPLGDCSA-N 0 0 450.888 4.674 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001359946859 1064694931 /nfs/dbraw/zinc/69/49/31/1064694931.db2.gz RHJIKHUIHKGJOK-GOSISDBHSA-N 0 0 459.787 4.885 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001435320881 1064695016 /nfs/dbraw/zinc/69/50/16/1064695016.db2.gz CTGVRLHINJMHMW-HZPDHXFCSA-N 0 0 451.419 4.776 20 0 JJADRN CC(C)CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359947235 1064695812 /nfs/dbraw/zinc/69/58/12/1064695812.db2.gz DTPAFQWZVATGOQ-UHFFFAOYSA-N 0 0 477.575 4.689 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@H]2CC(c3ccccc3)=NO2)cc1OC ZINC001435322943 1064695879 /nfs/dbraw/zinc/69/58/79/1064695879.db2.gz GUFHVHDZUNULAS-XMMPIXPASA-N 0 0 450.560 4.530 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC001435323320 1064696610 /nfs/dbraw/zinc/69/66/10/1064696610.db2.gz IAYXHRGYKHFKNJ-VXKWHMMOSA-N 0 0 454.661 4.646 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)ccc1C(C)C ZINC001435324743 1064697205 /nfs/dbraw/zinc/69/72/05/1064697205.db2.gz SNEZYKJXOPRXOK-VQTJNVASSA-N 0 0 457.014 4.841 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001435324507 1064697222 /nfs/dbraw/zinc/69/72/22/1064697222.db2.gz RZNYMROHWAPVCG-WJOKGBTCSA-N 0 0 454.617 4.719 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)ccc1C(C)C ZINC001435324740 1064697301 /nfs/dbraw/zinc/69/73/01/1064697301.db2.gz SNEZYKJXOPRXOK-PMACEKPBSA-N 0 0 457.014 4.841 20 0 JJADRN CC[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)Oc1ccccc1C ZINC001435325800 1064697813 /nfs/dbraw/zinc/69/78/13/1064697813.db2.gz QRHZLFARLUCWQA-IBGZPJMESA-N 0 0 459.015 4.993 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@H](c3ccc(F)c(C)c3)c3ccccc3Cl)nn2)c1 ZINC001435325321 1064697989 /nfs/dbraw/zinc/69/79/89/1064697989.db2.gz QVDPARPKNYPTHL-HSZRJFAPSA-N 0 0 450.901 4.896 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)Oc2ccccc21 ZINC001435326196 1064698757 /nfs/dbraw/zinc/69/87/57/1064698757.db2.gz UYSRKDJITKYAQC-DNQXCXABSA-N 0 0 452.913 4.807 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cc(Br)cc2c1OCCO2 ZINC001435328374 1064699292 /nfs/dbraw/zinc/69/92/92/1064699292.db2.gz KIEYEPXEPKCLBC-LJQANCHMSA-N 0 0 452.348 4.977 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC001435327588 1064699403 /nfs/dbraw/zinc/69/94/03/1064699403.db2.gz AMVYGUIKTBWZEJ-UHFFFAOYSA-N 0 0 459.413 4.778 20 0 JJADRN Cc1cc(C)cc(OCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435329284 1064700775 /nfs/dbraw/zinc/70/07/75/1064700775.db2.gz OIWTXRSWPXQCAS-VWLOTQADSA-N 0 0 455.551 4.521 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2cc(C(C)C)nn2CC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435329619 1064700791 /nfs/dbraw/zinc/70/07/91/1064700791.db2.gz HDSGRSODJIACRO-DEOSSOPVSA-N 0 0 453.608 4.512 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435329888 1064701149 /nfs/dbraw/zinc/70/11/49/1064701149.db2.gz QMGBYICTTMLYBP-MIWMXLOXSA-N 0 0 453.535 4.547 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H](CC)OC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330673 1064702185 /nfs/dbraw/zinc/70/21/85/1064702185.db2.gz RIBPHNZEKCYZEP-RPBOFIJWSA-N 0 0 457.636 4.986 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)[C@@H]2CCCO[C@H]21 ZINC001435331626 1064703024 /nfs/dbraw/zinc/70/30/24/1064703024.db2.gz GCLKPICDVXBYCR-XUVXKRRUSA-N 0 0 457.368 4.635 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2([S@](C)=O)CC2)cc1 ZINC001359950041 1064703037 /nfs/dbraw/zinc/70/30/37/1064703037.db2.gz CQNDCNZRIFZSCP-YDVVPIMXSA-N 0 0 476.712 4.611 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCOC(C)C)cc1 ZINC001359950011 1064703088 /nfs/dbraw/zinc/70/30/88/1064703088.db2.gz BXSUUORWHUQPOX-GHTZIAJQSA-N 0 0 484.563 4.951 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCC2(O)CCOCC2)cc1 ZINC001359950075 1064703230 /nfs/dbraw/zinc/70/32/30/1064703230.db2.gz DOUUJQDFDPHUFL-FCHUYYIVSA-N 0 0 470.658 4.926 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cc1 ZINC001435331571 1064703158 /nfs/dbraw/zinc/70/31/58/1064703158.db2.gz YYHWEIYJNCSPBN-JOIKAWEESA-N 0 0 458.599 4.795 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C3CCCCC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001359950092 1064703670 /nfs/dbraw/zinc/70/36/70/1064703670.db2.gz DRQSSQYFZWGYTK-BJKOFHAPSA-N 0 0 456.631 4.679 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H]2COCCO2)cc1 ZINC001359950114 1064703886 /nfs/dbraw/zinc/70/38/86/1064703886.db2.gz FCZCHLWWBDDMBK-KNQAVFIVSA-N 0 0 454.571 4.576 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001359950246 1064704304 /nfs/dbraw/zinc/70/43/04/1064704304.db2.gz FQYKQDDWDCRXPO-HFZDXXHNSA-N 0 0 456.631 4.536 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCOc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435332312 1064704210 /nfs/dbraw/zinc/70/42/10/1064704210.db2.gz JVDZKYGWVBYQID-VWLOTQADSA-N 0 0 455.551 4.602 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc(Cl)cc3Br)ccc2NC1=O ZINC001435332580 1064704799 /nfs/dbraw/zinc/70/47/99/1064704799.db2.gz KYSUXNIYQPZAMV-PIGZYNQJSA-N 0 0 451.748 4.632 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2Cc2ccc(F)cn2)cc1 ZINC001359950343 1064704961 /nfs/dbraw/zinc/70/49/61/1064704961.db2.gz IEMNOFJAFHAOSG-RTBURBONSA-N 0 0 453.562 4.566 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)ccc2NC1=O ZINC001435332952 1064704856 /nfs/dbraw/zinc/70/48/56/1064704856.db2.gz LRMSGPLFNIYLDZ-BLVKFPJESA-N 0 0 459.333 4.780 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)OCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001435333200 1064705323 /nfs/dbraw/zinc/70/53/23/1064705323.db2.gz HCOZRMROQNVROV-MRXNPFEDSA-N 0 0 454.032 4.942 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001359950505 1064705387 /nfs/dbraw/zinc/70/53/87/1064705387.db2.gz JVQPHEHYSBWCJQ-PQNGQFLHSA-N 0 0 488.698 4.820 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001359950628 1064705847 /nfs/dbraw/zinc/70/58/47/1064705847.db2.gz LQUIGZDEVQOURE-JOCHJYFZSA-N 0 0 490.652 4.785 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001435334375 1064706453 /nfs/dbraw/zinc/70/64/53/1064706453.db2.gz HCWJAORZCJSDML-UHFFFAOYSA-N 0 0 452.429 4.934 20 0 JJADRN Cc1ccc(C)c(N(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C(C)C)c1 ZINC001359950725 1064706600 /nfs/dbraw/zinc/70/66/00/1064706600.db2.gz LGYXJXFPQKDQFN-QGZVFWFLSA-N 0 0 452.414 4.917 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(I)c(Br)c1 ZINC001435335805 1064706974 /nfs/dbraw/zinc/70/69/74/1064706974.db2.gz HGJUHZPQPPZLDX-NVXWUHKLSA-N 0 0 456.121 4.514 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cc3c(Cl)cccc3Br)ccc2NC1=O ZINC001435335788 1064707002 /nfs/dbraw/zinc/70/70/02/1064707002.db2.gz YQDPVEKKJNNMGQ-DIFFPNOSSA-N 0 0 451.748 4.632 20 0 JJADRN O=C(OCc1cc(Cl)ccc1OC1CCCC1)c1cc2ncc(Br)cn2n1 ZINC001435335652 1064707031 /nfs/dbraw/zinc/70/70/31/1064707031.db2.gz RDSATGJDKHJZOL-UHFFFAOYSA-N 0 0 450.720 4.824 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001435336195 1064707382 /nfs/dbraw/zinc/70/73/82/1064707382.db2.gz MQCYRPWWOINGLV-NRFANRHFSA-N 0 0 450.579 4.905 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001359951018 1064707654 /nfs/dbraw/zinc/70/76/54/1064707654.db2.gz RFVLEERABFCMSU-KOUNCHBCSA-N 0 0 480.657 4.944 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001359950935 1064707785 /nfs/dbraw/zinc/70/77/85/1064707785.db2.gz PUIBFXGAYYVFDY-UHFFFAOYSA-N 0 0 452.580 4.511 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)cc1I ZINC001435337441 1064708051 /nfs/dbraw/zinc/70/80/51/1064708051.db2.gz OVMPFZDXPIMQIJ-RDJZCZTQSA-N 0 0 456.121 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CCc1csc(C(C)(C)C)n1 ZINC001545890325 1064708079 /nfs/dbraw/zinc/70/80/79/1064708079.db2.gz YAPYANWELMGVBQ-UHFFFAOYSA-N 0 0 480.682 4.756 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CCCOC2)cc1 ZINC001359951122 1064708130 /nfs/dbraw/zinc/70/81/30/1064708130.db2.gz RZRCNTYHVAATKR-JQVVWYNYSA-N 0 0 496.574 4.953 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccc(Br)nc1 ZINC001435336926 1064708122 /nfs/dbraw/zinc/70/81/22/1064708122.db2.gz XWLWFPQKEDDETI-QGZVFWFLSA-N 0 0 452.352 4.513 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C12CCCCC2 ZINC001435338670 1064708632 /nfs/dbraw/zinc/70/86/32/1064708632.db2.gz FNBFEJQRCYOGQM-RBUKOAKNSA-N 0 0 453.048 4.840 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001435337790 1064708788 /nfs/dbraw/zinc/70/87/88/1064708788.db2.gz VXOHXZSBDNKTEV-TXEJJXNPSA-N 0 0 458.727 4.661 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001359951621 1064710136 /nfs/dbraw/zinc/71/01/36/1064710136.db2.gz ADOJQRNUEYYZFE-UHFFFAOYSA-N 0 0 463.573 4.520 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001359951545 1064710172 /nfs/dbraw/zinc/71/01/72/1064710172.db2.gz YTKNXYGOEIIEAN-CGKQSPDFSA-N 0 0 478.728 4.859 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCNC(=O)c2cc(F)ccc2Br)o1 ZINC001435341830 1064710442 /nfs/dbraw/zinc/71/04/42/1064710442.db2.gz LIYJITMLQJKWGM-SCLBCKFNSA-N 0 0 451.336 4.609 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359951667 1064710678 /nfs/dbraw/zinc/71/06/78/1064710678.db2.gz BNDNRSYIXPCXQZ-GOSISDBHSA-N 0 0 495.590 4.921 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001435343112 1064711102 /nfs/dbraw/zinc/71/11/02/1064711102.db2.gz MZWHBAQNGBLGIP-QGZVFWFLSA-N 0 0 458.436 4.756 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCN1C(=O)OC(C)(C)C ZINC001435342162 1064711118 /nfs/dbraw/zinc/71/11/18/1064711118.db2.gz CFTBFYZTWGFVEI-HZPDHXFCSA-N 0 0 450.992 4.756 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001359951809 1064711172 /nfs/dbraw/zinc/71/11/72/1064711172.db2.gz GRYCYIFBUUIOKA-UHFFFAOYSA-N 0 0 479.572 4.740 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCCCCC3)n2CCCc2cnn(C)n2)cc1 ZINC001359951810 1064711236 /nfs/dbraw/zinc/71/12/36/1064711236.db2.gz GTBWTVFJAZJPLZ-UHFFFAOYSA-N 0 0 465.646 4.902 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]3c3ccco3)n2CC(=O)NC(C)C)cc1 ZINC001359951807 1064711284 /nfs/dbraw/zinc/71/12/84/1064711284.db2.gz GOAYCTUFQBTCOH-QFIPXVFZSA-N 0 0 465.598 4.829 20 0 JJADRN 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CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC001435343439 1064712230 /nfs/dbraw/zinc/71/22/30/1064712230.db2.gz QCUCLJPEOUPJBI-UHFFFAOYSA-N 0 0 456.999 4.838 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001435343915 1064712253 /nfs/dbraw/zinc/71/22/53/1064712253.db2.gz YCSWKXGLWVYIBA-OAHLLOKOSA-N 0 0 451.367 4.620 20 0 JJADRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001435343842 1064712428 /nfs/dbraw/zinc/71/24/28/1064712428.db2.gz BTEDTXLDWJRMSJ-QGZVFWFLSA-N 0 0 457.571 4.501 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001435344628 1064712800 /nfs/dbraw/zinc/71/28/00/1064712800.db2.gz YUPGGDQRTXPZBE-UHFFFAOYSA-N 0 0 450.951 4.938 20 0 JJADRN O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC001435344246 1064712989 /nfs/dbraw/zinc/71/29/89/1064712989.db2.gz BUQIGGDGGJJPDL-SFHVURJKSA-N 0 0 456.409 4.948 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H](C)N2CCOCC2)cc1 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CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@](C)(O)C(C)C)cc1 ZINC001359954261 1064718960 /nfs/dbraw/zinc/71/89/60/1064718960.db2.gz DEJLFNUCPIBYBF-RXFWQSSRSA-N 0 0 458.647 4.781 20 0 JJADRN CS[C@@H]1CC[C@@H](NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001435353540 1064718897 /nfs/dbraw/zinc/71/88/97/1064718897.db2.gz WIDOLEINKYRVCU-IEBWSBKVSA-N 0 0 452.498 4.737 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001359954272 1064719453 /nfs/dbraw/zinc/71/94/53/1064719453.db2.gz DLPRMNNREBMGNR-UHFFFAOYSA-N 0 0 497.684 4.778 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001435354861 1064719978 /nfs/dbraw/zinc/71/99/78/1064719978.db2.gz SRDSPKLAICNPPL-FKVLARQCSA-N 0 0 465.034 4.858 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCc3ccccc32)CC1 ZINC001359954387 1064720076 /nfs/dbraw/zinc/72/00/76/1064720076.db2.gz JBFZJQLXIZLNFS-QFIPXVFZSA-N 0 0 467.658 4.568 20 0 JJADRN COC(=O)c1ccc(NC(=O)CCSc2ccnc3cc(Cl)ccc32)cc1C(=O)OC ZINC001435355805 1064720540 /nfs/dbraw/zinc/72/05/40/1064720540.db2.gz ACKOPHQCSYNGGG-UHFFFAOYSA-N 0 0 458.923 4.582 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@](C)=O)CC2)CC1 ZINC001359954535 1064720597 /nfs/dbraw/zinc/72/05/97/1064720597.db2.gz KMKHWQMDMAVJGF-YTTGMZPUSA-N 0 0 483.053 4.680 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001359954743 1064720860 /nfs/dbraw/zinc/72/08/60/1064720860.db2.gz ORYCWRUERUVESW-JOCHJYFZSA-N 0 0 495.089 4.597 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC2(O)CCOCC2)cc1 ZINC001359954712 1064720911 /nfs/dbraw/zinc/72/09/11/1064720911.db2.gz LAXQLEKETICSHZ-BGYRXZFFSA-N 0 0 492.611 4.639 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001435356630 1064721123 /nfs/dbraw/zinc/72/11/23/1064721123.db2.gz KEOLYWWURMSSMN-IBGZPJMESA-N 0 0 454.523 4.622 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCC(C)(F)F)cc1 ZINC001359954656 1064721142 /nfs/dbraw/zinc/72/11/42/1064721142.db2.gz JPONDIDFNFHMMN-UHFFFAOYSA-N 0 0 485.583 4.532 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001435357384 1064721658 /nfs/dbraw/zinc/72/16/58/1064721658.db2.gz QOAHYBFLVWZISE-OAQYLSRUSA-N 0 0 454.567 4.567 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1F ZINC001435358389 1064722593 /nfs/dbraw/zinc/72/25/93/1064722593.db2.gz UIUMQQLMWBRNJX-SFHVURJKSA-N 0 0 454.542 4.656 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001435358271 1064722732 /nfs/dbraw/zinc/72/27/32/1064722732.db2.gz KLWNBXJFTJVSDF-HXUWFJFHSA-N 0 0 459.384 4.644 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC(=O)NC(C)C)cc1 ZINC001359955026 1064722856 /nfs/dbraw/zinc/72/28/56/1064722856.db2.gz PNEARRAVJAXUOW-VQTJNVASSA-N 0 0 473.687 4.615 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cnc(C2OCCO2)s1 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ZINC001435465872 1064773845 /nfs/dbraw/zinc/77/38/45/1064773845.db2.gz TVVAGNGHPTXNKL-OAHLLOKOSA-N 0 0 456.493 4.666 20 0 JJADRN CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1CCO[C@@H]1CCCC[C@H]1C)C(C)C ZINC001359992153 1064774441 /nfs/dbraw/zinc/77/44/41/1064774441.db2.gz PAYFRAFSOMMVSQ-FYYLOGMGSA-N 0 0 452.647 4.983 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCc2ccc(F)cc2C)cc1OC ZINC001435467058 1064774734 /nfs/dbraw/zinc/77/47/34/1064774734.db2.gz XWVCAJPRTJKDJG-UHFFFAOYSA-N 0 0 459.521 4.977 20 0 JJADRN O=C(NCCc1nc2cc(Cl)ccc2s1)[C@H]1CCOc2ccc(Br)cc21 ZINC001435467242 1064774770 /nfs/dbraw/zinc/77/47/70/1064774770.db2.gz JJUKCMWPBHRJMF-ZDUSSCGKSA-N 0 0 451.773 4.937 20 0 JJADRN CCC1(CC)CCN(C(=O)c2c(I)ccc(Br)c2F)C1 ZINC001435468547 1064774839 /nfs/dbraw/zinc/77/48/39/1064774839.db2.gz VELJGTLTLITDFB-UHFFFAOYSA-N 0 0 454.121 4.845 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1)C(C)C ZINC001359992762 1064774866 /nfs/dbraw/zinc/77/48/66/1064774866.db2.gz BPZODBHFHJHKBY-OAQYLSRUSA-N 0 0 451.571 4.894 20 0 JJADRN CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435467130 1064775020 /nfs/dbraw/zinc/77/50/20/1064775020.db2.gz BDEXGQGTNPZCTP-XMMPIXPASA-N 0 0 454.617 4.538 20 0 JJADRN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359992701 1064775135 /nfs/dbraw/zinc/77/51/35/1064775135.db2.gz IOORAYHPZZDIGW-LLVKDONJSA-N 0 0 459.456 4.621 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CN(C)C1=O)C(C)C ZINC001359992998 1064775436 /nfs/dbraw/zinc/77/54/36/1064775436.db2.gz JRKMWXDZLPXJAK-AREMUKBSSA-N 0 0 455.647 4.504 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001435469514 1064775828 /nfs/dbraw/zinc/77/58/28/1064775828.db2.gz FVGQUUGVSNGUNQ-FGCOXFRFSA-N 0 0 454.542 4.599 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccccc3F)C3CCCC3)cc2)C1 ZINC001435469402 1064776118 /nfs/dbraw/zinc/77/61/18/1064776118.db2.gz DNXKACGRSPNFOU-HOYKHHGWSA-N 0 0 458.599 4.908 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(=O)OC(C)(C)C)C(C)C ZINC001359993029 1064776013 /nfs/dbraw/zinc/77/60/13/1064776013.db2.gz KBXCBBOPRGTURB-WOJBJXKFSA-N 0 0 465.683 4.982 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1)C(C)C ZINC001359993178 1064776767 /nfs/dbraw/zinc/77/67/67/1064776767.db2.gz QAVAMBDKKYQOGF-DUTUXMCTSA-N 0 0 481.707 4.522 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(OCC2CC2)c1 ZINC001435471114 1064776926 /nfs/dbraw/zinc/77/69/26/1064776926.db2.gz VURSFGSGCLMTJG-NDEPHWFRSA-N 0 0 458.602 4.937 20 0 JJADRN Cc1ccnc(N2CCN(C(=O)c3ccccc3Oc3cccc(Br)c3)CC2)c1 ZINC001435471129 1064777072 /nfs/dbraw/zinc/77/70/72/1064777072.db2.gz VYKASEBTPZNRFT-UHFFFAOYSA-N 0 0 452.352 4.907 20 0 JJADRN CCOCCC1(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CCCC1 ZINC001435472314 1064777528 /nfs/dbraw/zinc/77/75/28/1064777528.db2.gz KTDFWGFMCVXUKZ-QFIPXVFZSA-N 0 0 457.615 4.707 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1Br)C(C)C ZINC001359993613 1064777659 /nfs/dbraw/zinc/77/76/59/1064777659.db2.gz ZYJIKKBMYWSDCO-UHFFFAOYSA-N 0 0 490.471 4.951 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1Br ZINC001435472921 1064778009 /nfs/dbraw/zinc/77/80/09/1064778009.db2.gz WDFCEEFSEWDBDW-LJQANCHMSA-N 0 0 454.361 4.653 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)c1cccnc1-n1cc(Br)cn1 ZINC001435473382 1064778099 /nfs/dbraw/zinc/77/80/99/1064778099.db2.gz HILYUGXOILYZQE-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN C[C@H](NC(=O)c1ncc(Br)cc1Br)c1cccc(N2CCCC2)c1 ZINC001435473109 1064778119 /nfs/dbraw/zinc/77/81/19/1064778119.db2.gz DMYMKCBEWHOOJA-LBPRGKRZSA-N 0 0 453.178 4.698 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359994738 1064778283 /nfs/dbraw/zinc/77/82/83/1064778283.db2.gz ANDNGLPDHGXCER-QZTJIDSGSA-N 0 0 461.582 4.659 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)Sc3ccccc32)c1)c1ccccc1 ZINC001435473539 1064778580 /nfs/dbraw/zinc/77/85/80/1064778580.db2.gz ISCYPLXABZWPLR-ROUUACIJSA-N 0 0 452.601 4.867 20 0 JJADRN CC(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001359994896 1064778661 /nfs/dbraw/zinc/77/86/61/1064778661.db2.gz KPHDHFMQAJFUDT-OXJNMPFZSA-N 0 0 470.832 4.538 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)C1CCC(C)(C)CC1 ZINC001435474901 1064779006 /nfs/dbraw/zinc/77/90/06/1064779006.db2.gz JABFGFGXFDYOQX-UHFFFAOYSA-N 0 0 459.450 4.567 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001435474679 1064779203 /nfs/dbraw/zinc/77/92/03/1064779203.db2.gz NWTLBZCUCHYUDP-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995083 1064779265 /nfs/dbraw/zinc/77/92/65/1064779265.db2.gz UYPHUKOLUJWBGS-MSOLQXFVSA-N 0 0 461.582 4.564 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001359995058 1064779293 /nfs/dbraw/zinc/77/92/93/1064779293.db2.gz SRCAVEGEDKAXBE-LJQANCHMSA-N 0 0 471.621 4.879 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001435476789 1064780191 /nfs/dbraw/zinc/78/01/91/1064780191.db2.gz YDPUSJWGEQYMBA-UHFFFAOYSA-N 0 0 452.356 4.791 20 0 JJADRN CCOC(=O)C1(N(C)C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CCCCC1 ZINC001435477523 1064780596 /nfs/dbraw/zinc/78/05/96/1064780596.db2.gz OUCBAMPHZZKUIF-UHFFFAOYSA-N 0 0 450.461 4.577 20 0 JJADRN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359995472 1064780755 /nfs/dbraw/zinc/78/07/55/1064780755.db2.gz UIUIEUHUCNETPH-MRXNPFEDSA-N 0 0 465.545 4.648 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359995331 1064780812 /nfs/dbraw/zinc/78/08/12/1064780812.db2.gz KJTMSXBPNRKULC-AWEZNQCLSA-N 0 0 467.717 4.785 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1 ZINC001435478514 1064781274 /nfs/dbraw/zinc/78/12/74/1064781274.db2.gz DROSYVCKQOWUDW-SFHVURJKSA-N 0 0 454.596 4.535 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359996557 1064781675 /nfs/dbraw/zinc/78/16/75/1064781675.db2.gz WDAZQUDDWCAETB-NJXQTOCLSA-N 0 0 455.451 4.866 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2sc3cccc(F)c3c2COC)c1 ZINC001435479397 1064781767 /nfs/dbraw/zinc/78/17/67/1064781767.db2.gz XXMKPKWOESVMMS-CYBMUJFWSA-N 0 0 450.557 4.516 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001435479696 1064781824 /nfs/dbraw/zinc/78/18/24/1064781824.db2.gz MVMMLQPJYXZWDS-JOCHJYFZSA-N 0 0 458.942 4.538 20 0 JJADRN Cn1cc(/C=C/C(=O)Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cn1 ZINC001435480667 1064782203 /nfs/dbraw/zinc/78/22/03/1064782203.db2.gz YRLBDGAEITYOGV-BJMVGYQFSA-N 0 0 451.280 4.518 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCOc2ccc(F)c(F)c2)cc1 ZINC001359996962 1064782332 /nfs/dbraw/zinc/78/23/32/1064782332.db2.gz HPYBSXZKGQYZAW-UHFFFAOYSA-N 0 0 456.514 4.813 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001435481674 1064782392 /nfs/dbraw/zinc/78/23/92/1064782392.db2.gz JCMGZXJLUFDCJC-QEMXTEJRSA-N 0 0 450.982 4.583 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)N1CCOCC1 ZINC001359997115 1064782705 /nfs/dbraw/zinc/78/27/05/1064782705.db2.gz NDIJYGMVBIEDDU-XXBNENTESA-N 0 0 459.631 4.882 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001359997466 1064782792 /nfs/dbraw/zinc/78/27/92/1064782792.db2.gz BTFPTTUOIUADAH-MRXNPFEDSA-N 0 0 451.384 4.756 20 0 JJADRN CC(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359997786 1064783348 /nfs/dbraw/zinc/78/33/48/1064783348.db2.gz YISAUGQOSPLRDY-UHFFFAOYSA-N 0 0 450.383 4.651 20 0 JJADRN CC(C)Cn1c(-c2ccccc2Br)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001359997632 1064783477 /nfs/dbraw/zinc/78/34/77/1064783477.db2.gz MTZGSGGFNZLZSI-UHFFFAOYSA-N 0 0 473.394 4.614 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359997639 1064783500 /nfs/dbraw/zinc/78/35/00/1064783500.db2.gz NSVIDRUFONYBEB-OAHLLOKOSA-N 0 0 451.974 4.839 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001435485073 1064784258 /nfs/dbraw/zinc/78/42/58/1064784258.db2.gz PKQDSNKIPNJTLZ-WSYSLRRZSA-N 0 0 457.324 4.613 20 0 JJADRN CC(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359998251 1064784314 /nfs/dbraw/zinc/78/43/14/1064784314.db2.gz YENZTDQQFGONSL-QZTJIDSGSA-N 0 0 452.603 4.822 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3C)s2)cc1 ZINC001359998326 1064784391 /nfs/dbraw/zinc/78/43/91/1064784391.db2.gz FZONRQDZTNIJQG-IBGZPJMESA-N 0 0 453.589 4.589 20 0 JJADRN CCCOc1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)cc1OCCC ZINC001359998414 1064784524 /nfs/dbraw/zinc/78/45/24/1064784524.db2.gz HRJHXMJPOVWPQP-NRFANRHFSA-N 0 0 456.608 4.655 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(OCC(C)C)c1 ZINC001435486136 1064784833 /nfs/dbraw/zinc/78/48/33/1064784833.db2.gz ZKJVLQMJBVIKBK-LJQANCHMSA-N 0 0 450.535 4.511 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435485737 1064784863 /nfs/dbraw/zinc/78/48/63/1064784863.db2.gz VMPAFMVMHHDWBN-CQSZACIVSA-N 0 0 451.445 4.857 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccccc1 ZINC001435484935 1064784977 /nfs/dbraw/zinc/78/49/77/1064784977.db2.gz QTNIULMWKRFJBB-RQTOMXEWSA-N 0 0 459.590 4.862 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)cc1OC(C)C ZINC001435487279 1064785377 /nfs/dbraw/zinc/78/53/77/1064785377.db2.gz HZRHITNGIOTJAK-UHFFFAOYSA-N 0 0 450.373 4.890 20 0 JJADRN Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC001435486641 1064785544 /nfs/dbraw/zinc/78/55/44/1064785544.db2.gz LYHWSQKINWCKMA-UHFFFAOYSA-N 0 0 459.571 4.787 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OC(=O)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC001435486795 1064785580 /nfs/dbraw/zinc/78/55/80/1064785580.db2.gz FOBRXCVADQASRZ-UHFFFAOYSA-N 0 0 454.530 4.909 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2oc3ccccc3c2Br)c1C ZINC001359999731 1064785942 /nfs/dbraw/zinc/78/59/42/1064785942.db2.gz XUTGYZUZJOKQPH-MRXNPFEDSA-N 0 0 459.365 4.966 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000402 1064786311 /nfs/dbraw/zinc/78/63/11/1064786311.db2.gz JEYRSQXUHQJRFV-UYAOXDASSA-N 0 0 459.610 4.794 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001435488485 1064786556 /nfs/dbraw/zinc/78/65/56/1064786556.db2.gz UWEDDHSTIRMPRX-QFIPXVFZSA-N 0 0 456.384 4.524 20 0 JJADRN CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360001528 1064787380 /nfs/dbraw/zinc/78/73/80/1064787380.db2.gz SPTIIFHDHLFYTC-UHFFFAOYSA-N 0 0 498.473 4.550 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)c12 ZINC001435490620 1064787613 /nfs/dbraw/zinc/78/76/13/1064787613.db2.gz KCDOZDIDSGOYHS-LJQANCHMSA-N 0 0 455.990 4.618 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 ZINC001360002063 1064788066 /nfs/dbraw/zinc/78/80/66/1064788066.db2.gz GIIFNVDFPWBFAI-JOCHJYFZSA-N 0 0 454.498 4.794 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 ZINC001360002643 1064788653 /nfs/dbraw/zinc/78/86/53/1064788653.db2.gz NCGHCROUKXFKCW-AAEUAGOBSA-N 0 0 450.655 4.928 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCn1cnc2ccccc2c1=O ZINC001360002780 1064789075 /nfs/dbraw/zinc/78/90/75/1064789075.db2.gz OSIJFCVRYCVESV-AWEZNQCLSA-N 0 0 452.967 4.749 20 0 JJADRN CC(C)n1ncc2cc(C(=O)Nc3cccc(Oc4ncc(Br)cn4)c3)cnc21 ZINC001435495672 1064789398 /nfs/dbraw/zinc/78/93/98/1064789398.db2.gz QYHNCXOCHJNEGI-UHFFFAOYSA-N 0 0 453.300 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)C1 ZINC001435495999 1064789495 /nfs/dbraw/zinc/78/94/95/1064789495.db2.gz FOMFSUSIKKFFLX-SGTLLEGYSA-N 0 0 450.404 4.806 20 0 JJADRN CC(C)Cn1nc(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c2ccccc2c1=O ZINC001435496777 1064789977 /nfs/dbraw/zinc/78/99/77/1064789977.db2.gz NTACBUGTJPLKIT-UHFFFAOYSA-N 0 0 455.383 4.839 20 0 JJADRN O=C(Nc1cccc(OCCF)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001435496889 1064790045 /nfs/dbraw/zinc/79/00/45/1064790045.db2.gz HXJRIMIQHNPLCI-UHFFFAOYSA-N 0 0 454.951 4.505 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(N4CCOCC4)nc3C)s2)cc1 ZINC001435497901 1064790501 /nfs/dbraw/zinc/79/05/01/1064790501.db2.gz QRZPFGHABUDKSI-UHFFFAOYSA-N 0 0 452.580 4.564 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)Cn1ccc(C(F)F)n1 ZINC001435497986 1064790806 /nfs/dbraw/zinc/79/08/06/1064790806.db2.gz PFXXFRJDLGIYRA-SNVBAGLBSA-N 0 0 455.328 4.893 20 0 JJADRN CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C=CCCC1 ZINC001435499273 1064791194 /nfs/dbraw/zinc/79/11/94/1064791194.db2.gz ZREMQTQSISYNLD-KOSHJBKYSA-N 0 0 450.604 4.872 20 0 JJADRN COCc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001435499062 1064791207 /nfs/dbraw/zinc/79/12/07/1064791207.db2.gz TZICMRVYNPTFKV-UHFFFAOYSA-N 0 0 458.967 4.872 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC001435500376 1064791658 /nfs/dbraw/zinc/79/16/58/1064791658.db2.gz AACDNPGMDCHXHZ-RPWUZVMVSA-N 0 0 453.533 4.883 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001360004944 1064791840 /nfs/dbraw/zinc/79/18/40/1064791840.db2.gz WVIGNROOLQSELN-UHFFFAOYSA-N 0 0 474.049 4.786 20 0 JJADRN CC(C)(C)n1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)c(Br)n1 ZINC001360005068 1064792288 /nfs/dbraw/zinc/79/22/88/1064792288.db2.gz YZVWRSGRCZMMJZ-UHFFFAOYSA-N 0 0 457.210 4.871 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001360005909 1064792998 /nfs/dbraw/zinc/79/29/98/1064792998.db2.gz GUXAACNKFCHAFF-SLFFLAALSA-N 0 0 486.636 4.559 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001360005908 1064793084 /nfs/dbraw/zinc/79/30/84/1064793084.db2.gz GUXAACNKFCHAFF-AQNXPRMDSA-N 0 0 486.636 4.559 20 0 JJADRN COc1ccc(NC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1-n1nnnc1C1CC1 ZINC001435504397 1064793384 /nfs/dbraw/zinc/79/33/84/1064793384.db2.gz SYKKLTJBQQNZTQ-UHFFFAOYSA-N 0 0 459.472 4.775 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Br)c3)n2n1 ZINC001435504575 1064793425 /nfs/dbraw/zinc/79/34/25/1064793425.db2.gz SYPOLWSHFYLLSI-OAQYLSRUSA-N 0 0 453.315 4.767 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001360006585 1064793355 /nfs/dbraw/zinc/79/33/55/1064793355.db2.gz RVWKOSNWZOXKJZ-NRSPTQNISA-N 0 0 471.646 4.868 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360006689 1064793401 /nfs/dbraw/zinc/79/34/01/1064793401.db2.gz VENDDZUFLSAEKB-SFHVURJKSA-N 0 0 464.079 4.868 20 0 JJADRN CCN(C)C(=O)[C@H]1CSCN1C(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001360007064 1064794078 /nfs/dbraw/zinc/79/40/78/1064794078.db2.gz OIIXHAACPKAVJH-HXUWFJFHSA-N 0 0 454.617 4.860 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc4c3CCN4C(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001435506428 1064794151 /nfs/dbraw/zinc/79/41/51/1064794151.db2.gz AVBLSMCORFPTTL-HDICACEKSA-N 0 0 451.567 4.850 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435506652 1064794597 /nfs/dbraw/zinc/79/45/97/1064794597.db2.gz DYJLLGNPLQYLRM-ADLFWFRXSA-N 0 0 451.325 4.680 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)CC2 ZINC001435507473 1064794636 /nfs/dbraw/zinc/79/46/36/1064794636.db2.gz ADLWSPOPHPNWIL-DEOSSOPVSA-N 0 0 453.579 4.588 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1sc(C)cc1OC(F)F ZINC001435507290 1064794662 /nfs/dbraw/zinc/79/46/62/1064794662.db2.gz HLKDEZDWUDJHKQ-UHFFFAOYSA-N 0 0 456.511 4.544 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N[C@@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435506655 1064794764 /nfs/dbraw/zinc/79/47/64/1064794764.db2.gz DYJLLGNPLQYLRM-QMIHWGKISA-N 0 0 451.325 4.680 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c2cccnc12 ZINC001435508622 1064795612 /nfs/dbraw/zinc/79/56/12/1064795612.db2.gz RFVPYBRTGIWENJ-UHFFFAOYSA-N 0 0 455.942 4.775 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cc1C ZINC001360007777 1064795870 /nfs/dbraw/zinc/79/58/70/1064795870.db2.gz YNCWQQGPDCLSMR-RHSMWYFYSA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccc(CNC(=O)CCc2cccc(F)c2Br)c(OC[C@@H]2CCCO2)c1 ZINC001435509428 1064796093 /nfs/dbraw/zinc/79/60/93/1064796093.db2.gz YXFCPPMBUMXILD-SFHVURJKSA-N 0 0 450.348 4.703 20 0 JJADRN CSc1cc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)ccc1Br ZINC001435509831 1064796216 /nfs/dbraw/zinc/79/62/16/1064796216.db2.gz WLVNTSWBTABLHZ-QGZVFWFLSA-N 0 0 450.398 4.967 20 0 JJADRN COc1ccc([C@@H](CC(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)NC(C)=O)cc1 ZINC001435512098 1064797673 /nfs/dbraw/zinc/79/76/73/1064797673.db2.gz DSTWKADEJMWPJJ-SXOMAYOGSA-N 0 0 458.558 4.597 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)c1Cl ZINC001435512997 1064798071 /nfs/dbraw/zinc/79/80/71/1064798071.db2.gz IUVHBSDFTBDGCA-ZDUSSCGKSA-N 0 0 452.363 4.845 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC001435512849 1064798197 /nfs/dbraw/zinc/79/81/97/1064798197.db2.gz GEGHLJHEYREVJR-MRXNPFEDSA-N 0 0 459.384 4.565 20 0 JJADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)cc2)C1 ZINC001435512266 1064798303 /nfs/dbraw/zinc/79/83/03/1064798303.db2.gz ACSBPMDPXOBEJL-KRWDZBQOSA-N 0 0 451.473 4.711 20 0 JJADRN CC(C)CN1C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Sc3ccccc3)CCN2C1=O ZINC001360008788 1064798172 /nfs/dbraw/zinc/79/81/72/1064798172.db2.gz XVNMXEKQGOLJFF-NHCUHLMSSA-N 0 0 484.714 4.630 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)Cc2csc3nccn23)c1 ZINC001435514205 1064798739 /nfs/dbraw/zinc/79/87/39/1064798739.db2.gz PBLUBJYRCSKPFY-UHFFFAOYSA-N 0 0 458.952 4.563 20 0 JJADRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC001435515137 1064799271 /nfs/dbraw/zinc/79/92/71/1064799271.db2.gz WKMICVZTKBJMCQ-UHFFFAOYSA-N 0 0 457.741 4.573 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)c1 ZINC001435516328 1064799743 /nfs/dbraw/zinc/79/97/43/1064799743.db2.gz JOKDJTFOHDMZPN-JTSKRJEESA-N 0 0 450.539 4.706 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)c2)cc1 ZINC001435516989 1064800036 /nfs/dbraw/zinc/80/00/36/1064800036.db2.gz SFDPRMOUQYANGE-UHFFFAOYSA-N 0 0 454.530 4.835 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCOc1ncc(Cl)cc1Cl)c1ccccc1 ZINC001435516973 1064800287 /nfs/dbraw/zinc/80/02/87/1064800287.db2.gz RZBGBSPBTRUEDW-KRWDZBQOSA-N 0 0 454.354 4.540 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1coc2c1ccc(F)c2F ZINC001435517428 1064801052 /nfs/dbraw/zinc/80/10/52/1064801052.db2.gz VEBNQIUXJDNCQQ-KRWDZBQOSA-N 0 0 456.272 4.851 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCC2(CC1)OCc1ccccc12 ZINC001435517829 1064801095 /nfs/dbraw/zinc/80/10/95/1064801095.db2.gz WUMIHOVSGZFVBL-UHFFFAOYSA-N 0 0 451.158 4.873 20 0 JJADRN CCC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)cc1 ZINC001435520439 1064803283 /nfs/dbraw/zinc/80/32/83/1064803283.db2.gz UOKUFWRAFJFDAX-UHFFFAOYSA-N 0 0 454.592 4.580 20 0 JJADRN Cc1ccc(F)c(-n2nc(C(=O)N[C@@H](C)Cc3ccccc3Br)c3c2CCC3)c1 ZINC001435522633 1064804831 /nfs/dbraw/zinc/80/48/31/1064804831.db2.gz BZFVRRKNMLTYOT-HNNXBMFYSA-N 0 0 456.359 4.932 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1scc(Br)c1Br)C(=O)OC(C)(C)C ZINC001435521904 1064804863 /nfs/dbraw/zinc/80/48/63/1064804863.db2.gz JNWIPIOMLBFRRX-SNVBAGLBSA-N 0 0 455.212 4.759 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCC(OC(C)(C)C)CC3)ccc21 ZINC001435521720 1064805018 /nfs/dbraw/zinc/80/50/18/1064805018.db2.gz AWCAOHQQJOGKPC-UHFFFAOYSA-N 0 0 457.615 4.976 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001435525123 1064807309 /nfs/dbraw/zinc/80/73/09/1064807309.db2.gz SXYJIJHDPHOBNU-SFHVURJKSA-N 0 0 451.364 4.843 20 0 JJADRN Cc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c1I ZINC001435525527 1064808045 /nfs/dbraw/zinc/80/80/45/1064808045.db2.gz QGKCWQOVXBBBQL-UHFFFAOYSA-N 0 0 459.331 4.839 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001435525789 1064808186 /nfs/dbraw/zinc/80/81/86/1064808186.db2.gz JOOJTISCUGCBCK-UHFFFAOYSA-N 0 0 459.394 4.826 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC001435526253 1064808940 /nfs/dbraw/zinc/80/89/40/1064808940.db2.gz MJGSWMPPHVXIEY-UHFFFAOYSA-N 0 0 450.543 4.648 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 ZINC001435526682 1064808957 /nfs/dbraw/zinc/80/89/57/1064808957.db2.gz DFJGZTWMHYNQNZ-YADHBBJMSA-N 0 0 454.567 4.843 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3ccc4c(c3)CC(C)(C)O4)n2)cc(Cl)c1OC ZINC001435528912 1064810336 /nfs/dbraw/zinc/81/03/36/1064810336.db2.gz VWSBMAYJSYHTPK-UHFFFAOYSA-N 0 0 457.914 4.692 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435529647 1064810549 /nfs/dbraw/zinc/81/05/49/1064810549.db2.gz KLGKOCGKZAYNBW-UHFFFAOYSA-N 0 0 456.359 4.839 20 0 JJADRN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC001360013024 1064811079 /nfs/dbraw/zinc/81/10/79/1064811079.db2.gz ANDKPTKALIKJSL-AWEZNQCLSA-N 0 0 456.490 4.707 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC001435530504 1064811152 /nfs/dbraw/zinc/81/11/52/1064811152.db2.gz KRLLTRXATKMSJQ-ZDUSSCGKSA-N 0 0 456.369 4.757 20 0 JJADRN CCC(CC)(CC)CNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001435530115 1064811461 /nfs/dbraw/zinc/81/14/61/1064811461.db2.gz FTJSSVAKDRQSFC-NRFANRHFSA-N 0 0 454.615 4.883 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1 ZINC001360013186 1064812158 /nfs/dbraw/zinc/81/21/58/1064812158.db2.gz ZWIVBLNNJWJPOZ-BCHFMIIMSA-N 0 0 459.631 4.762 20 0 JJADRN O=C(CSCc1ccc(F)cc1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435530624 1064812141 /nfs/dbraw/zinc/81/21/41/1064812141.db2.gz SSGWDOPNMGIPFW-UHFFFAOYSA-N 0 0 451.405 4.602 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cccs2)[C@H](C)C1=O ZINC001360014215 1064812744 /nfs/dbraw/zinc/81/27/44/1064812744.db2.gz DMYPQTHDDHBVAZ-MOPGFXCFSA-N 0 0 485.629 4.555 20 0 JJADRN 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CCn1c(=O)[nH]c2cc(C(=O)N(C)[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2c1=O ZINC001435724805 1064956933 /nfs/dbraw/zinc/95/69/33/1064956933.db2.gz LHOCXUSRLITOCG-XLIONFOSSA-N 0 0 459.468 4.549 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1OC ZINC001435724473 1064956985 /nfs/dbraw/zinc/95/69/85/1064956985.db2.gz ADPWHKVVXFZADJ-UHFFFAOYSA-N 0 0 451.748 4.834 20 0 JJADRN Cc1nc([C@@H](NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)no1 ZINC001435724680 1064956997 /nfs/dbraw/zinc/95/69/97/1064956997.db2.gz BRHPAWVVAVAXRD-MSOLQXFVSA-N 0 0 450.967 4.567 20 0 JJADRN Cc1nc([C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)no1 ZINC001435724682 1064957028 /nfs/dbraw/zinc/95/70/28/1064957028.db2.gz BRHPAWVVAVAXRD-ROUUACIJSA-N 0 0 450.967 4.567 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CCCc2ccccc2F)CC1 ZINC001360089781 1064956976 /nfs/dbraw/zinc/95/69/76/1064956976.db2.gz KHSLEJWJJDDTHV-UHFFFAOYSA-N 0 0 455.622 4.791 20 0 JJADRN Cc1nc([C@H](NC(=O)C(F)(F)c2ccc(Br)cc2)c2ccc(Cl)cc2)no1 ZINC001435725042 1064957729 /nfs/dbraw/zinc/95/77/29/1064957729.db2.gz CXFNNMXYFBQKMH-OAHLLOKOSA-N 0 0 456.674 4.792 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001360090042 1064957588 /nfs/dbraw/zinc/95/75/88/1064957588.db2.gz QXFYSMUDVKOBHK-UHFFFAOYSA-N 0 0 494.606 4.736 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001360090334 1064957707 /nfs/dbraw/zinc/95/77/07/1064957707.db2.gz ANROOLJBLLZCSH-SFHVURJKSA-N 0 0 455.407 4.529 20 0 JJADRN CN(C(=O)c1cc(C(=O)OC(C)(C)C)nn1C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001435726258 1064958264 /nfs/dbraw/zinc/95/82/64/1064958264.db2.gz ZKNOGOGAZXGDPT-WMZOPIPTSA-N 0 0 451.489 4.803 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3ccc(Br)cc3)no2)c1 ZINC001360091237 1064958274 /nfs/dbraw/zinc/95/82/74/1064958274.db2.gz JURWILIQLYZFGD-UHFFFAOYSA-N 0 0 457.324 4.533 20 0 JJADRN 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CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001435729059 1064960352 /nfs/dbraw/zinc/96/03/52/1064960352.db2.gz KYMIKYJIBDBKJJ-HNNXBMFYSA-N 0 0 452.386 4.585 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001435729066 1064960410 /nfs/dbraw/zinc/96/04/10/1064960410.db2.gz KYMIKYJIBDBKJJ-OAHLLOKOSA-N 0 0 452.386 4.585 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nn1-c1ccccc1 ZINC001435729934 1064961271 /nfs/dbraw/zinc/96/12/71/1064961271.db2.gz FGBICVGSGBVMAN-HNNXBMFYSA-N 0 0 453.593 4.768 20 0 JJADRN Cc1cccc(COc2ccc(NC(=O)C[C@@H]3COCCN3C(=O)OC(C)(C)C)c(C)c2)c1 ZINC001360093754 1064965158 /nfs/dbraw/zinc/96/51/58/1064965158.db2.gz LSCKVKSFLHMBQZ-OAQYLSRUSA-N 0 0 454.567 4.847 20 0 JJADRN C[C@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC001435737901 1064965711 /nfs/dbraw/zinc/96/57/11/1064965711.db2.gz MRSGLYOJIIFGID-KBMIEXCESA-N 0 0 451.563 4.747 20 0 JJADRN 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COc1cc(CNC(=O)C[C@@H](C)n2ccnc2)cc(Br)c1OCc1ccccc1 ZINC001435745356 1064970138 /nfs/dbraw/zinc/97/01/38/1064970138.db2.gz HFXDKKKGSPOXCI-MRXNPFEDSA-N 0 0 458.356 4.501 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745650 1064970557 /nfs/dbraw/zinc/97/05/57/1064970557.db2.gz FLDSVYJREREPRC-ZWKOTPCHSA-N 0 0 458.183 4.558 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435746745 1064970818 /nfs/dbraw/zinc/97/08/18/1064970818.db2.gz HWBDIFWQJSPXRO-FZKQIMNGSA-N 0 0 459.871 4.714 20 0 JJADRN Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1C ZINC001435748801 1064972394 /nfs/dbraw/zinc/97/23/94/1064972394.db2.gz NCDANKVQACLTPS-NVXWUHKLSA-N 0 0 457.821 4.583 20 0 JJADRN CSc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1Br ZINC001360096322 1064972359 /nfs/dbraw/zinc/97/23/59/1064972359.db2.gz TVJDUPOFIPBVMP-UHFFFAOYSA-N 0 0 451.361 4.801 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1cc2ccccc2c(=O)o1 ZINC001435749059 1064973084 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YSRANTUZBLMPFT-UHFFFAOYSA-N 0 0 455.139 4.750 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCCOc3ccccc3C(F)(F)F)cs2)cc1OC ZINC001360098853 1064977893 /nfs/dbraw/zinc/97/78/93/1064977893.db2.gz JCEBETBWBAFAKO-UHFFFAOYSA-N 0 0 452.454 4.655 20 0 JJADRN CC(C)C[C@H](C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001435754523 1064978077 /nfs/dbraw/zinc/97/80/77/1064978077.db2.gz VUQUEHSLFIOERT-DNVJHFABSA-N 0 0 452.639 4.744 20 0 JJADRN Cn1c2ccc(NC(=O)c3cnc(Br)c(Br)c3)cc2nc1C1CC1 ZINC001435755985 1064978729 /nfs/dbraw/zinc/97/87/29/1064978729.db2.gz RZYKWIGASXTXAW-UHFFFAOYSA-N 0 0 450.134 4.623 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1OC ZINC001360099359 1064978736 /nfs/dbraw/zinc/97/87/36/1064978736.db2.gz DIGKDIUBKRCAFV-NSHDSACASA-N 0 0 455.383 4.678 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1Cl)c1ccncc1 ZINC001360099467 1064979012 /nfs/dbraw/zinc/97/90/12/1064979012.db2.gz HYUMPJUHGXOZFM-UHFFFAOYSA-N 0 0 456.211 4.702 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435757286 1064979316 /nfs/dbraw/zinc/97/93/16/1064979316.db2.gz KWKZVXDRRYPNIY-NWMLYGLHSA-N 0 0 458.480 4.740 20 0 JJADRN CC(C)(C)Oc1cccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC001435757481 1064979457 /nfs/dbraw/zinc/97/94/57/1064979457.db2.gz FHLHJSJFNQMIHS-UHFFFAOYSA-N 0 0 450.379 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2cccc(OC(C)(C)C)n2)C1 ZINC001435759790 1064980019 /nfs/dbraw/zinc/98/00/19/1064980019.db2.gz YCJVMZKCDZALRZ-IFMALSPDSA-N 0 0 467.610 4.601 20 0 JJADRN O=C(COc1cccc(Cl)c1)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001435760856 1064980726 /nfs/dbraw/zinc/98/07/26/1064980726.db2.gz YDJLXSXJFYMSKW-UHFFFAOYSA-N 0 0 452.654 4.695 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)c1 ZINC001435762428 1064981291 /nfs/dbraw/zinc/98/12/91/1064981291.db2.gz ALAVVHGQJPSQEE-MRXNPFEDSA-N 0 0 450.551 4.633 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(\C)c2ccccc2OC(F)F)c1 ZINC001435763788 1064981742 /nfs/dbraw/zinc/98/17/42/1064981742.db2.gz IJJUSLVKKXPCJK-STTHAQSSSA-N 0 0 452.523 4.548 20 0 JJADRN C[C@H](NC(=O)c1ccc(F)cc1I)c1ccc(F)cc1OC(F)F ZINC001435765983 1064982220 /nfs/dbraw/zinc/98/22/20/1064982220.db2.gz KNOKYSLXWLAUCP-QMMMGPOBSA-N 0 0 453.173 4.662 20 0 JJADRN O=C(NCc1cccnc1OCC(F)F)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001435765694 1064982446 /nfs/dbraw/zinc/98/24/46/1064982446.db2.gz HSUMOMHVHJQNHK-HXUWFJFHSA-N 0 0 450.844 4.955 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)C(C)C ZINC001360103100 1064982618 /nfs/dbraw/zinc/98/26/18/1064982618.db2.gz XSCWVEFGPXNMJW-OAQYLSRUSA-N 0 0 455.986 4.588 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1 ZINC001435767555 1064982777 /nfs/dbraw/zinc/98/27/77/1064982777.db2.gz XCLAYWAMKNAQRQ-INIZCTEOSA-N 0 0 457.621 4.513 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC(=O)Nc2cc(Br)ccc21 ZINC001435769696 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ZINC001360112395 1064993973 /nfs/dbraw/zinc/99/39/73/1064993973.db2.gz NMKLEEJTPQIRKR-MRXNPFEDSA-N 0 0 450.486 4.536 20 0 JJADRN COC(=O)c1cc(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)o1 ZINC001435794952 1064994085 /nfs/dbraw/zinc/99/40/85/1064994085.db2.gz GCGQEXQDYBHADF-LJQANCHMSA-N 0 0 452.507 4.524 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)O[C@@H](c1cc(Br)cs1)C(F)(F)F ZINC001435795252 1064994096 /nfs/dbraw/zinc/99/40/96/1064994096.db2.gz WVRDEJARPBRKFR-INIZCTEOSA-N 0 0 452.292 4.916 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)O[C@@H](c1cc(Br)cs1)C(F)(F)F ZINC001435794604 1064994153 /nfs/dbraw/zinc/99/41/53/1064994153.db2.gz RWXVDGXLFBFLQP-NSHDSACASA-N 0 0 451.186 4.881 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001435797069 1064995063 /nfs/dbraw/zinc/99/50/63/1064995063.db2.gz CYTLQMSAFTYNIC-UHFFFAOYSA-N 0 0 458.305 4.690 20 0 JJADRN CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001435798014 1064995708 /nfs/dbraw/zinc/99/57/08/1064995708.db2.gz RIKHGLXOTOQRGC-SFHVURJKSA-N 0 0 456.867 4.988 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001435797977 1064995956 /nfs/dbraw/zinc/99/59/56/1064995956.db2.gz QUJSRFAMWATGKL-SFHVURJKSA-N 0 0 454.851 4.841 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCSCC(F)(F)F ZINC001360113879 1064996319 /nfs/dbraw/zinc/99/63/19/1064996319.db2.gz RLWGJFBQILGYAL-UHFFFAOYSA-N 0 0 496.534 4.775 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(F)c(I)c2)cc1NC(=O)C(C)(C)C ZINC001360114745 1064996961 /nfs/dbraw/zinc/99/69/61/1064996961.db2.gz VXXYADDTUNRZSO-UHFFFAOYSA-N 0 0 454.283 4.976 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)O[C@H](C)c3ccc(F)c(C(F)(F)F)c3)CC2=O)c1 ZINC001435799799 1064997004 /nfs/dbraw/zinc/99/70/04/1064997004.db2.gz YERYMJSUSMNCFF-TZMCWYRMSA-N 0 0 455.404 4.519 20 0 JJADRN CCN(CC)[C@@H](C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001360114767 1064997118 /nfs/dbraw/zinc/99/71/18/1064997118.db2.gz WUNOVPGEXFYRLS-HXUWFJFHSA-N 0 0 451.489 4.925 20 0 JJADRN Cc1ccc(NC(=O)c2cc(I)ccc2F)cc1NC(=O)C(C)(C)C ZINC001360114302 1064997158 /nfs/dbraw/zinc/99/71/58/1064997158.db2.gz HEGYJBOFCDGIPF-UHFFFAOYSA-N 0 0 454.283 4.976 20 0 JJADRN Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360114736 1064997251 /nfs/dbraw/zinc/99/72/51/1064997251.db2.gz VRJKBRVXAIMGDP-UHFFFAOYSA-N 0 0 454.246 4.924 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001435800780 1064997617 /nfs/dbraw/zinc/99/76/17/1064997617.db2.gz OQSAOWHSNDCNSF-UHFFFAOYSA-N 0 0 457.954 4.915 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1 ZINC001360115618 1064997645 /nfs/dbraw/zinc/99/76/45/1064997645.db2.gz DGBNJNPTNQGTRQ-NRFANRHFSA-N 0 0 473.593 4.551 20 0 JJADRN CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)Cc2ccccc21 ZINC001435801167 1064998239 /nfs/dbraw/zinc/99/82/39/1064998239.db2.gz UOFYYTMKXWUUQX-UHFFFAOYSA-N 0 0 456.951 4.554 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360116118 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ZINC001435828337 1065012477 /nfs/dbraw/zinc/01/24/77/1065012477.db2.gz VOINBKRKHCTRJM-XXBNENTESA-N 0 0 457.412 4.831 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360122979 1065012738 /nfs/dbraw/zinc/01/27/38/1065012738.db2.gz APUWCFJJXPDURR-LJQANCHMSA-N 0 0 478.588 4.625 20 0 JJADRN Cc1ccc2c(CC(=O)N[C@@H]3CCN(c4ccc(Br)c(C)c4)C3=O)coc2c1C ZINC001435829151 1065013033 /nfs/dbraw/zinc/01/30/33/1065013033.db2.gz AMNOZONIIWDQQY-HXUWFJFHSA-N 0 0 455.352 4.585 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001360123070 1065013280 /nfs/dbraw/zinc/01/32/80/1065013280.db2.gz WCDYBYXIZKDKJL-TZIWHRDSSA-N 0 0 493.743 4.547 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1 ZINC001360123138 1065013337 /nfs/dbraw/zinc/01/33/37/1065013337.db2.gz XEDNBRDMPQNABU-FQEVSTJZSA-N 0 0 475.659 4.863 20 0 JJADRN Cc1cc(N2CC[C@H](NC(=O)[C@H](C)c3cccc(CC(C)C)c3)C2=O)ccc1Br ZINC001435829713 1065013485 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IDWIBAQFOUMGCA-UHFFFAOYSA-N 0 0 498.600 4.595 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCCc1cccc(F)c1 ZINC001360123339 1065014322 /nfs/dbraw/zinc/01/43/22/1065014322.db2.gz FHFLVNRVBGVBCP-UHFFFAOYSA-N 0 0 455.603 4.649 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001435831170 1065014376 /nfs/dbraw/zinc/01/43/76/1065014376.db2.gz KVWAHHWRXLSXSW-BFMBIBTESA-N 0 0 454.636 4.939 20 0 JJADRN Cc1cccc(CN2CCN(C(=O)CCc3nc4cc(Br)ccc4s3)CC2)c1 ZINC001435835218 1065016005 /nfs/dbraw/zinc/01/60/05/1065016005.db2.gz AANTXBVDKGTJRL-UHFFFAOYSA-N 0 0 458.425 4.644 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001360124074 1065016132 /nfs/dbraw/zinc/01/61/32/1065016132.db2.gz UMBVCWGFFXOTMO-XIFFEERXSA-N 0 0 479.675 4.667 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)CCCC2)c1 ZINC001435838276 1065016725 /nfs/dbraw/zinc/01/67/25/1065016725.db2.gz ZCNYCGDFPDRVFH-FCHUYYIVSA-N 0 0 459.583 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC001435837576 1065016932 /nfs/dbraw/zinc/01/69/32/1065016932.db2.gz UZFUMOUCTIMPEC-NFBKMPQASA-N 0 0 454.542 4.769 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)CCCC2)c1 ZINC001435838282 1065017228 /nfs/dbraw/zinc/01/72/28/1065017228.db2.gz ZCNYCGDFPDRVFH-VXKWHMMOSA-N 0 0 459.583 4.566 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001435839468 1065017746 /nfs/dbraw/zinc/01/77/46/1065017746.db2.gz CFSHIFLBHHHGKX-CQSZACIVSA-N 0 0 455.917 4.757 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@@H](C)[C@H](C)C3)nnc2-c2ccco2)cc1 ZINC001435839995 1065017812 /nfs/dbraw/zinc/01/78/12/1065017812.db2.gz SQRSWWYYYFFPLU-KZNAEPCWSA-N 0 0 454.596 4.959 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)cc1 ZINC001435839415 1065017859 /nfs/dbraw/zinc/01/78/59/1065017859.db2.gz BGTGZFWFGIJCQV-CQSZACIVSA-N 0 0 455.917 4.757 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)CCc3ccc(Cl)cc3Cl)nc3n2CCC3)cc1 ZINC001435841649 1065018749 /nfs/dbraw/zinc/01/87/49/1065018749.db2.gz MYZCEGRHRDEZNL-UHFFFAOYSA-N 0 0 458.345 4.947 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Oc2ccc(C)nc2Br)cc1 ZINC001435844286 1065019872 /nfs/dbraw/zinc/01/98/72/1065019872.db2.gz VFGXIADWGJASLU-UHFFFAOYSA-N 0 0 451.324 4.782 20 0 JJADRN O=C(OCc1ccc(SCc2ccccc2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001435844702 1065020294 /nfs/dbraw/zinc/02/02/94/1065020294.db2.gz IMFHAMJZPCUZLX-UHFFFAOYSA-N 0 0 453.585 4.876 20 0 JJADRN O=C(NCCC1=CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001435844528 1065020349 /nfs/dbraw/zinc/02/03/49/1065020349.db2.gz ZUBFQJDKXCQZFS-UHFFFAOYSA-N 0 0 458.546 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001545893721 1065021534 /nfs/dbraw/zinc/02/15/34/1065021534.db2.gz GLOPUWHYSVFSPN-INIZCTEOSA-N 0 0 496.487 4.883 20 0 JJADRN O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001360127618 1065021771 /nfs/dbraw/zinc/02/17/71/1065021771.db2.gz XALAWIWVRPRCGB-OAHLLOKOSA-N 0 0 458.811 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435849986 1065022486 /nfs/dbraw/zinc/02/24/86/1065022486.db2.gz KPZCMPVTDSZMFH-UONOGXRCSA-N 0 0 452.420 4.653 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3ccc(C)c(Cl)c3F)c2C)c1 ZINC001435853569 1065025078 /nfs/dbraw/zinc/02/50/78/1065025078.db2.gz BFQJMEBWIGHDGJ-FQEVSTJZSA-N 0 0 457.933 4.812 20 0 JJADRN Cc1cc2c(cc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)OCO2 ZINC001435854302 1065025579 /nfs/dbraw/zinc/02/55/79/1065025579.db2.gz DRJJRADGMNPBJX-UHFFFAOYSA-N 0 0 451.319 4.858 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC001360130362 1065025702 /nfs/dbraw/zinc/02/57/02/1065025702.db2.gz ZTADESGENWACMH-UHFFFAOYSA-N 0 0 457.267 4.783 20 0 JJADRN COc1ccc(C(=O)OCc2ccccc2C)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001435854403 1065025980 /nfs/dbraw/zinc/02/59/80/1065025980.db2.gz SLHCUVWZPRHNLE-UHFFFAOYSA-N 0 0 451.544 4.502 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCCCC(=O)OCc2ccccc2)cc1 ZINC001435855512 1065026470 /nfs/dbraw/zinc/02/64/70/1065026470.db2.gz PFVWDLOSKLQKHS-IBGZPJMESA-N 0 0 454.567 4.916 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)Cc2ccc(C)nc2Cl)CN(C)CC3)cc1 ZINC001435856945 1065027587 /nfs/dbraw/zinc/02/75/87/1065027587.db2.gz XJGISMURLHQFMJ-UHFFFAOYSA-N 0 0 453.995 4.813 20 0 JJADRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001360133342 1065028870 /nfs/dbraw/zinc/02/88/70/1065028870.db2.gz YIBKMJOGFIGQQH-OCCSQVGLSA-N 0 0 459.310 4.993 20 0 JJADRN COC(=O)C1(CNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)CCCCC1 ZINC001435857927 1065028883 /nfs/dbraw/zinc/02/88/83/1065028883.db2.gz DFXVTSIJVGMIPG-UHFFFAOYSA-N 0 0 451.563 4.641 20 0 JJADRN O=C(c1ccc(Br)c(Cl)c1F)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859048 1065029105 /nfs/dbraw/zinc/02/91/05/1065029105.db2.gz LJYXYIUTLUWCLX-VIFPVBQESA-N 0 0 454.649 4.934 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859188 1065029210 /nfs/dbraw/zinc/02/92/10/1065029210.db2.gz MOBSTKZYCFVCCQ-CYBMUJFWSA-N 0 0 450.686 4.724 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859351 1065029226 /nfs/dbraw/zinc/02/92/26/1065029226.db2.gz MOBSTKZYCFVCCQ-ZDUSSCGKSA-N 0 0 450.686 4.724 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001435862669 1065030726 /nfs/dbraw/zinc/03/07/26/1065030726.db2.gz CIYYUENWIMZOSN-OAQYLSRUSA-N 0 0 452.595 4.710 20 0 JJADRN CN(C(=O)c1ccc(Cn2ccccc2=O)o1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864538 1065031480 /nfs/dbraw/zinc/03/14/80/1065031480.db2.gz MGVXOVHPTGQPDE-GOSISDBHSA-N 0 0 458.358 4.884 20 0 JJADRN CN(C(=O)c1ccc(Cn2ccccc2=O)o1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864539 1065031523 /nfs/dbraw/zinc/03/15/23/1065031523.db2.gz MGVXOVHPTGQPDE-SFHVURJKSA-N 0 0 458.358 4.884 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)c1ccc(C)cc1 ZINC001360136244 1065032744 /nfs/dbraw/zinc/03/27/44/1065032744.db2.gz FYHKBGYKWRJZDH-COPCDDAFSA-N 0 0 458.624 4.742 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001545893837 1065034018 /nfs/dbraw/zinc/03/40/18/1065034018.db2.gz JDVQKNUJQDKUHX-AWEZNQCLSA-N 0 0 457.928 4.519 20 0 JJADRN O=C(c1cccc(OCc2ccccc2Br)c1)N1CC(=O)Nc2c(F)cccc21 ZINC001435866887 1065034049 /nfs/dbraw/zinc/03/40/49/1065034049.db2.gz YRJAMWVHOMAPEH-UHFFFAOYSA-N 0 0 455.283 4.766 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435867179 1065034360 /nfs/dbraw/zinc/03/43/60/1065034360.db2.gz MOJPNGROEQBZBY-CZUORRHYSA-N 0 0 458.340 4.622 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001435868747 1065035205 /nfs/dbraw/zinc/03/52/05/1065035205.db2.gz FBUMGKHKHTYZEE-UHFFFAOYSA-N 0 0 458.555 4.785 20 0 JJADRN O=C(COCc1nc2ccccc2s1)Nc1nc2cc(F)c(Br)cc2s1 ZINC001435869066 1065035377 /nfs/dbraw/zinc/03/53/77/1065035377.db2.gz HBKBZCSLLSYMCK-UHFFFAOYSA-N 0 0 452.330 4.963 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2cccc(I)c2C)CCN1C(=O)OC(C)(C)C ZINC001435870511 1065036100 /nfs/dbraw/zinc/03/61/00/1065036100.db2.gz RTJBCJYTEQSRKM-XJKSGUPXSA-N 0 0 458.340 4.574 20 0 JJADRN Cn1c(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCCC3)nnc1-c1ccccc1 ZINC001435871796 1065036606 /nfs/dbraw/zinc/03/66/06/1065036606.db2.gz ULKXEMNZQNCYLN-UHFFFAOYSA-N 0 0 452.580 4.559 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)F ZINC001435871005 1065036817 /nfs/dbraw/zinc/03/68/17/1065036817.db2.gz WGHUKKGQIMUSIB-UHFFFAOYSA-N 0 0 453.230 4.975 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001435873753 1065037595 /nfs/dbraw/zinc/03/75/95/1065037595.db2.gz MROHOLSCMGYCNY-HNNXBMFYSA-N 0 0 457.489 4.840 20 0 JJADRN COc1cc(OC(=O)c2csc(-c3ccc(Br)s3)n2)cc(OC)c1OC ZINC001435873648 1065037670 /nfs/dbraw/zinc/03/76/70/1065037670.db2.gz XRGCGTYWVICAHV-UHFFFAOYSA-N 0 0 456.339 4.879 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435874380 1065037733 /nfs/dbraw/zinc/03/77/33/1065037733.db2.gz XXDWWZLLCWXQQU-KRWDZBQOSA-N 0 0 450.526 4.952 20 0 JJADRN O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001435876185 1065039018 /nfs/dbraw/zinc/03/90/18/1065039018.db2.gz QZLWOTINNIBEOG-NRFANRHFSA-N 0 0 453.995 4.875 20 0 JJADRN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001435876186 1065039212 /nfs/dbraw/zinc/03/92/12/1065039212.db2.gz QZLWOTINNIBEOG-OAQYLSRUSA-N 0 0 453.995 4.875 20 0 JJADRN Cc1noc(C[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)c2ccccc2)n1 ZINC001435876744 1065039669 /nfs/dbraw/zinc/03/96/69/1065039669.db2.gz FAAJYMGBFVDQFT-IBGZPJMESA-N 0 0 456.333 4.893 20 0 JJADRN CN(CC(=O)N1CC2(CCCC2)c2cccc(F)c21)C(=O)c1ccc(Br)s1 ZINC001435878179 1065040037 /nfs/dbraw/zinc/04/00/37/1065040037.db2.gz IMTHUCQBBAJUIK-UHFFFAOYSA-N 0 0 451.361 4.580 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3c(F)cc(C(F)(F)F)cc3F)c2)n1 ZINC001435879296 1065040464 /nfs/dbraw/zinc/04/04/64/1065040464.db2.gz IPNVKJOLZSUBIV-UHFFFAOYSA-N 0 0 456.392 4.824 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccnc2SC(F)(F)F)cc(Br)c1F ZINC001435879583 1065040590 /nfs/dbraw/zinc/04/05/90/1065040590.db2.gz DOKVMSFTEKWSGX-UHFFFAOYSA-N 0 0 453.211 4.634 20 0 JJADRN CCOc1ccc(OCC(=O)Nc2cc(OC)c(Br)cc2Br)cc1 ZINC001435879944 1065041052 /nfs/dbraw/zinc/04/10/52/1065041052.db2.gz GZFDGRZSQOSBLW-UHFFFAOYSA-N 0 0 459.134 4.636 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)/C=C/c1ccc(SC)s1 ZINC001435880500 1065041129 /nfs/dbraw/zinc/04/11/29/1065041129.db2.gz SHIGSGBXTXFHPB-SOFGYWHQSA-N 0 0 454.411 4.838 20 0 JJADRN COc1cc(CCC(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc(OC)c1OC ZINC001435880777 1065041434 /nfs/dbraw/zinc/04/14/34/1065041434.db2.gz MSWPYTNYQCHPOZ-SFHVURJKSA-N 0 0 453.564 4.603 20 0 JJADRN O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001435881048 1065041505 /nfs/dbraw/zinc/04/15/05/1065041505.db2.gz PLJYRKYVLLXLFH-NGFNCXNUSA-N 0 0 451.495 4.886 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(OC(F)(F)F)cc3)s2)o1 ZINC001435881137 1065041536 /nfs/dbraw/zinc/04/15/36/1065041536.db2.gz WFEGHTNCQPXJTH-SFHVURJKSA-N 0 0 450.438 4.528 20 0 JJADRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)CN(C)C(=O)OCc3ccccc3)c12 ZINC001435881163 1065041775 /nfs/dbraw/zinc/04/17/75/1065041775.db2.gz GTVCOZQCUJNOPT-UHFFFAOYSA-N 0 0 457.534 4.553 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)Cn2c(=O)sc(C)c2-c2ccccc2)c1C ZINC001435881437 1065041888 /nfs/dbraw/zinc/04/18/88/1065041888.db2.gz AXBXRIOUADUABM-UHFFFAOYSA-N 0 0 452.967 4.980 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ncc2c(F)cccn21)C1CC1 ZINC001435882452 1065042929 /nfs/dbraw/zinc/04/29/29/1065042929.db2.gz QMQXWZLTISDWHU-SFHVURJKSA-N 0 0 450.297 4.689 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001435882227 1065042972 /nfs/dbraw/zinc/04/29/72/1065042972.db2.gz BWTJFTNWWHCCOJ-UHFFFAOYSA-N 0 0 453.315 4.653 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)CCCOC1CCOCC1)C1CC1 ZINC001435882484 1065043083 /nfs/dbraw/zinc/04/30/83/1065043083.db2.gz RCBAPVIOUXIZNZ-OAQYLSRUSA-N 0 0 458.382 4.564 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C(=O)OC)cc1)C1CC1 ZINC001435885019 1065043830 /nfs/dbraw/zinc/04/38/30/1065043830.db2.gz YNRWJONLFOZKAQ-LJQANCHMSA-N 0 0 450.318 4.689 20 0 JJADRN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435888725 1065045870 /nfs/dbraw/zinc/04/58/70/1065045870.db2.gz IKBCOWVMPQHKEB-GQNMWPQZSA-N 0 0 453.341 4.578 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001435888896 1065046094 /nfs/dbraw/zinc/04/60/94/1065046094.db2.gz GZWSPNBQLFIMLH-SFHVURJKSA-N 0 0 458.864 4.602 20 0 JJADRN CCCCNC(=O)c1c(NC(=O)c2ccc(SCc3csc(C)n3)cc2)nc(C)n1C ZINC001435889698 1065046516 /nfs/dbraw/zinc/04/65/16/1065046516.db2.gz IYPXSXGEPUUIGK-UHFFFAOYSA-N 0 0 457.625 4.568 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H]1c1ccc(OC)cc1 ZINC001435889573 1065046553 /nfs/dbraw/zinc/04/65/53/1065046553.db2.gz FGOGITDAQCINGW-GREHSFLPSA-N 0 0 458.643 4.875 20 0 JJADRN CC[C@H](CN(C)C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889930 1065047034 /nfs/dbraw/zinc/04/70/34/1065047034.db2.gz LAQQBWLQZDVDFD-GOEBONIOSA-N 0 0 458.407 4.816 20 0 JJADRN CCc1cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c2c(CC(C)(C)C)noc2n1 ZINC001360144903 1065046936 /nfs/dbraw/zinc/04/69/36/1065046936.db2.gz BGERMQGMHHFHHI-UHFFFAOYSA-N 0 0 457.596 4.949 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC001435890004 1065047071 /nfs/dbraw/zinc/04/70/71/1065047071.db2.gz QVIXZPFQOTVQHE-CYBMUJFWSA-N 0 0 450.379 4.889 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C3CCC3)cc2)c1Cl ZINC001435889880 1065047116 /nfs/dbraw/zinc/04/71/16/1065047116.db2.gz AZOKUMMRCNYGPB-UHFFFAOYSA-N 0 0 456.391 4.611 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)c1 ZINC001360145608 1065047372 /nfs/dbraw/zinc/04/73/72/1065047372.db2.gz SCMGGTGLFWWVOV-UHFFFAOYSA-N 0 0 457.498 4.771 20 0 JJADRN CC(C)N(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC001360146016 1065048205 /nfs/dbraw/zinc/04/82/05/1065048205.db2.gz RXMIBKNSLIKMOY-UHFFFAOYSA-N 0 0 456.436 4.781 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC001435895076 1065050055 /nfs/dbraw/zinc/05/00/55/1065050055.db2.gz NOVONEQBEXSYFR-HNNXBMFYSA-N 0 0 459.568 4.765 20 0 JJADRN CO[C@H]1CCC[C@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)C1 ZINC001435895964 1065050561 /nfs/dbraw/zinc/05/05/61/1065050561.db2.gz UZVZYIKYFWUGGG-AAEUAGOBSA-N 0 0 456.242 4.949 20 0 JJADRN CCO[C@@H](C(=O)OCc1ccc(I)c(C(F)(F)F)c1)C1CCCC1 ZINC001435896010 1065050588 /nfs/dbraw/zinc/05/05/88/1065050588.db2.gz VQNJRAJDKVSJIO-OAHLLOKOSA-N 0 0 456.242 4.949 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c1C(F)(F)F ZINC001360148763 1065051475 /nfs/dbraw/zinc/05/14/75/1065051475.db2.gz MYFGNHMEHMZEGJ-KRWDZBQOSA-N 0 0 458.484 4.845 20 0 JJADRN CNC(=O)CCOc1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC001360148739 1065051726 /nfs/dbraw/zinc/05/17/26/1065051726.db2.gz MEMVZDDWEWLJAF-DEOSSOPVSA-N 0 0 452.938 4.922 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)c1 ZINC001435899323 1065052408 /nfs/dbraw/zinc/05/24/08/1065052408.db2.gz FXNACVFYJHPCFQ-UHFFFAOYSA-N 0 0 454.239 4.653 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OC2COC2)cc1 ZINC001435900483 1065053171 /nfs/dbraw/zinc/05/31/71/1065053171.db2.gz BFQTZLMSWQJJSD-QHCPKHFHSA-N 0 0 450.922 4.618 20 0 JJADRN CCc1c(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)nnn1Cc1ccc(F)cc1 ZINC001435902575 1065054203 /nfs/dbraw/zinc/05/42/03/1065054203.db2.gz QJAZLKWQVGUQDP-UHFFFAOYSA-N 0 0 453.518 4.936 20 0 JJADRN CCc1c(NC(=O)c2cc(Cl)c(Br)cc2F)nnn1Cc1ccc(F)cc1 ZINC001435903344 1065054394 /nfs/dbraw/zinc/05/43/94/1065054394.db2.gz XYCRDCTZTOFEOJ-UHFFFAOYSA-N 0 0 455.690 4.835 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)NCCc3cn(C)c4cc(Cl)ccc34)c(=O)oc2c1 ZINC001435905049 1065055330 /nfs/dbraw/zinc/05/53/30/1065055330.db2.gz RXKVAYNNTGMYJV-UHFFFAOYSA-N 0 0 452.938 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCOc1c(C)cccc1C ZINC001545894076 1065055413 /nfs/dbraw/zinc/05/54/13/1065055413.db2.gz NWCWBZIRNKFKIL-GOSISDBHSA-N 0 0 481.563 4.671 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NCCc3cn(C)c4cc(Cl)ccc34)c(=O)oc2c1 ZINC001435905007 1065055482 /nfs/dbraw/zinc/05/54/82/1065055482.db2.gz RERXBPJCILGNBO-UHFFFAOYSA-N 0 0 451.954 4.757 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)c(-n2cc(Cl)cn2)n1 ZINC001435906254 1065055852 /nfs/dbraw/zinc/05/58/52/1065055852.db2.gz GSDZYXJCMSDJBK-UHFFFAOYSA-N 0 0 450.376 4.998 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(OC)c1 ZINC001435906882 1065056287 /nfs/dbraw/zinc/05/62/87/1065056287.db2.gz AVLPBTCXRSVJOR-UHFFFAOYSA-N 0 0 450.520 4.788 20 0 JJADRN COC(=O)c1ccc(CNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001435907862 1065056669 /nfs/dbraw/zinc/05/66/69/1065056669.db2.gz DEKRZUGMHRXXCT-WQLSENKSSA-N 0 0 456.258 4.974 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3ccn(C)c32)c1 ZINC001435907885 1065056803 /nfs/dbraw/zinc/05/68/03/1065056803.db2.gz XYWLVBHPLKPQDU-UHFFFAOYSA-N 0 0 453.951 4.909 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001360154661 1065056818 /nfs/dbraw/zinc/05/68/18/1065056818.db2.gz FFTJGIJXNCOIHE-JPYJTQIMSA-N 0 0 459.571 4.894 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(C)c1 ZINC001360153846 1065056843 /nfs/dbraw/zinc/05/68/43/1065056843.db2.gz HWTBSFHWDRRKNR-AWRGLXIESA-N 0 0 454.611 4.849 20 0 JJADRN COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc(OC)c1OC(F)F ZINC001360154361 1065056904 /nfs/dbraw/zinc/05/69/04/1065056904.db2.gz XIDZHWFOMMIFLY-UHFFFAOYSA-N 0 0 455.820 4.595 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001360154660 1065056944 /nfs/dbraw/zinc/05/69/44/1065056944.db2.gz FFTJGIJXNCOIHE-FDDCHVKYSA-N 0 0 459.571 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC001360155365 1065057571 /nfs/dbraw/zinc/05/75/71/1065057571.db2.gz VZUAHBURWHWANF-KHVXQDHOSA-N 0 0 450.579 4.960 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)c(Br)c1 ZINC001435908609 1065057753 /nfs/dbraw/zinc/05/77/53/1065057753.db2.gz HNYBOUCEYNGIIL-UHFFFAOYSA-N 0 0 452.348 4.951 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001435908782 1065057764 /nfs/dbraw/zinc/05/77/64/1065057764.db2.gz FKYGNUVIDHJLOM-OAHLLOKOSA-N 0 0 450.348 4.814 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCOC(C)(C)C)c2ccccc2c1=O ZINC001360156868 1065058384 /nfs/dbraw/zinc/05/83/84/1065058384.db2.gz QLQLMKAQCLSQIE-KRWDZBQOSA-N 0 0 488.583 4.533 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)c1ccccc1 ZINC001435909918 1065058473 /nfs/dbraw/zinc/05/84/73/1065058473.db2.gz CDSOGAVJXKHYSP-RUZDIDTESA-N 0 0 452.576 4.848 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)Cc3cccs3)n2CCOC(C)(C)C)c2ccccc2c1=O ZINC001360156737 1065058518 /nfs/dbraw/zinc/05/85/18/1065058518.db2.gz MATZXCGNNBAJAX-UHFFFAOYSA-N 0 0 480.638 4.749 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)cc1F ZINC001435909882 1065058622 /nfs/dbraw/zinc/05/86/22/1065058622.db2.gz ZTSHHOAYUAQTAS-APPDUMDISA-N 0 0 459.686 4.686 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCOC(C)(C)C)n2CC2CC(C)(C)C2)c2ccccc2c1=O ZINC001360157098 1065058822 /nfs/dbraw/zinc/05/88/22/1065058822.db2.gz SNMMGUVGSWENFR-UHFFFAOYSA-N 0 0 480.657 4.923 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCCc3cccc(Br)c3)C2)c1 ZINC001360157673 1065058940 /nfs/dbraw/zinc/05/89/40/1065058940.db2.gz QTNWOQFBLXVCFB-FQEVSTJZSA-N 0 0 457.412 4.667 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC001360157696 1065059083 /nfs/dbraw/zinc/05/90/83/1065059083.db2.gz RDYSCIDHXNOEKT-LJQANCHMSA-N 0 0 455.480 4.715 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)c(=O)[nH]1 ZINC001435910460 1065059059 /nfs/dbraw/zinc/05/90/59/1065059059.db2.gz PIBMLXMVPFTFNO-ZDUSSCGKSA-N 0 0 457.324 4.725 20 0 JJADRN O=C(NC1CCC(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)CC1)C1CC1 ZINC001360158027 1065059332 /nfs/dbraw/zinc/05/93/32/1065059332.db2.gz CXWSNPXWWBIDMQ-UHFFFAOYSA-N 0 0 452.517 4.941 20 0 JJADRN Cc1cc(F)c(C(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)c(F)c1 ZINC001435911466 1065059510 /nfs/dbraw/zinc/05/95/10/1065059510.db2.gz BOQKDYSOFWFEGT-HNNXBMFYSA-N 0 0 454.311 4.866 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)CC1(C(F)(F)F)CC1 ZINC001435911536 1065059524 /nfs/dbraw/zinc/05/95/24/1065059524.db2.gz CLPGDADGAJDZMH-CQSZACIVSA-N 0 0 450.295 4.698 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cnc2ncc(Br)cc2c1 ZINC001435911187 1065059580 /nfs/dbraw/zinc/05/95/80/1065059580.db2.gz JTCIEZHYUFWZOI-UHFFFAOYSA-N 0 0 450.258 4.873 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 ZINC001360161211 1065060011 /nfs/dbraw/zinc/06/00/11/1065060011.db2.gz FVYDWTLINKIOQI-FQEVSTJZSA-N 0 0 451.394 4.649 20 0 JJADRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001435912825 1065059922 /nfs/dbraw/zinc/05/99/22/1065059922.db2.gz OIAFTDDRDPMPKP-UHFFFAOYSA-N 0 0 453.404 4.750 20 0 JJADRN O=C(O[C@H](Cc1ccc(F)cc1)C(F)(F)F)c1ccc(F)cc1I ZINC001435912456 1065059965 /nfs/dbraw/zinc/05/99/65/1065059965.db2.gz PAUFADJNFMBHHR-CQSZACIVSA-N 0 0 456.148 4.900 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)/C=C/c2nc3ccccc3s2)c2ccc(Cl)cc2)CCO1 ZINC001360161464 1065060299 /nfs/dbraw/zinc/06/02/99/1065060299.db2.gz JLVNUCKGYVNVJI-YVNCXZRQSA-N 0 0 456.011 4.931 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CCCOC1CCCCC1 ZINC001360162257 1065061228 /nfs/dbraw/zinc/06/12/28/1065061228.db2.gz LIUDEDDBBJWXJV-KRWDZBQOSA-N 0 0 463.573 4.631 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCCC1(F)F ZINC001360162874 1065061630 /nfs/dbraw/zinc/06/16/30/1065061630.db2.gz UZKJTRVZYQXPRZ-GJZGRUSLSA-N 0 0 455.500 4.717 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360162858 1065061687 /nfs/dbraw/zinc/06/16/87/1065061687.db2.gz UOROHSAEQHMFHT-ZWKOTPCHSA-N 0 0 498.628 4.615 20 0 JJADRN CC/C(=C\C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccc(OC)cc1 ZINC001435916687 1065061713 /nfs/dbraw/zinc/06/17/13/1065061713.db2.gz VOFCPJIYLKXITR-BMRADRMJSA-N 0 0 458.400 4.642 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360164336 1065062107 /nfs/dbraw/zinc/06/21/07/1065062107.db2.gz RQCDVHSTYXSQEB-QRQLOZEOSA-N 0 0 481.563 4.873 20 0 JJADRN Cc1cccc2c1CC[C@H]2NC(=O)c1cc(I)ccc1Br ZINC001360165216 1065062608 /nfs/dbraw/zinc/06/26/08/1065062608.db2.gz IQIWPVDUFHRFQU-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN COC1CCC(C(=O)N2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001435919222 1065063441 /nfs/dbraw/zinc/06/34/41/1065063441.db2.gz BFFLXXXODXFVSB-WDTLCOQZSA-N 0 0 458.643 4.956 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@H]1CCCc2ccccc21 ZINC001360169361 1065063732 /nfs/dbraw/zinc/06/37/32/1065063732.db2.gz CAFMTQKUMYEQMH-QGZVFWFLSA-N 0 0 458.031 4.888 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1Cc1ccsc1Br ZINC001360169922 1065064616 /nfs/dbraw/zinc/06/46/16/1065064616.db2.gz XJUAGSXGGBZRSU-UHFFFAOYSA-N 0 0 488.411 4.671 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@H]1CCC[C@@H]1C ZINC001360169915 1065064681 /nfs/dbraw/zinc/06/46/81/1065064681.db2.gz XBKBXSOCVHZWPQ-HOCLYGCPSA-N 0 0 455.500 4.647 20 0 JJADRN Cc1cccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1Br ZINC001435921915 1065064848 /nfs/dbraw/zinc/06/48/48/1065064848.db2.gz TZQBATMJQROQQS-UHFFFAOYSA-N 0 0 450.398 4.551 20 0 JJADRN Cc1ccncc1CC(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922582 1065065381 /nfs/dbraw/zinc/06/53/81/1065065381.db2.gz SBUSFVGETHEPCT-DNQXCXABSA-N 0 0 451.611 4.697 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001360173130 1065065520 /nfs/dbraw/zinc/06/55/20/1065065520.db2.gz NTAKTIIMQOJJFU-MRXNPFEDSA-N 0 0 471.474 4.507 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001360172862 1065065613 /nfs/dbraw/zinc/06/56/13/1065065613.db2.gz WSESVKLYDWDUEG-KOMQPUFPSA-N 0 0 496.534 4.786 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1Cc1ccc(Cl)s1 ZINC001360173393 1065065651 /nfs/dbraw/zinc/06/56/51/1065065651.db2.gz WTJKGXNQCWPWFQ-UHFFFAOYSA-N 0 0 471.936 4.835 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC001435924814 1065066250 /nfs/dbraw/zinc/06/62/50/1065066250.db2.gz LMXBEUYXKFBNLE-IBWPDUFMSA-N 0 0 456.970 4.644 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC001435924871 1065066363 /nfs/dbraw/zinc/06/63/63/1065066363.db2.gz MVTZXQPEIZACMD-AWEZNQCLSA-N 0 0 459.461 4.935 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CC2CCCCC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001360175502 1065066528 /nfs/dbraw/zinc/06/65/28/1065066528.db2.gz LAOHARZWHYBBEH-UHFFFAOYSA-N 0 0 467.536 4.574 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCCc2ccccc2)n1Cc1sccc1Br ZINC001360178973 1065067322 /nfs/dbraw/zinc/06/73/22/1065067322.db2.gz QXNOBDGICSIORK-UHFFFAOYSA-N 0 0 490.471 4.748 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CCc2ccc(CC(C)C)cc2)CC1 ZINC001360178674 1065067380 /nfs/dbraw/zinc/06/73/80/1065067380.db2.gz XSTPSTCCVFYXRK-JOCHJYFZSA-N 0 0 450.623 4.518 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001360178194 1065067416 /nfs/dbraw/zinc/06/74/16/1065067416.db2.gz PGPPGSYZMBWABI-XMMPIXPASA-N 0 0 459.546 4.833 20 0 JJADRN COc1ccc2onc(CC(=O)Oc3ccc(Oc4ccc(Br)cn4)cc3)c2c1 ZINC001435927187 1065067576 /nfs/dbraw/zinc/06/75/76/1065067576.db2.gz WNDHFTZOUFLUQG-UHFFFAOYSA-N 0 0 455.264 4.934 20 0 JJADRN CCn1c(SCC(=O)NC(C)(C)Cc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC001435927936 1065067660 /nfs/dbraw/zinc/06/76/60/1065067660.db2.gz UYTQSUXOPPRYQT-UHFFFAOYSA-N 0 0 459.015 4.857 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001360179575 1065067744 /nfs/dbraw/zinc/06/77/44/1065067744.db2.gz OKMDTUPCWUKNDC-LJQANCHMSA-N 0 0 457.397 4.667 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001360179574 1065067867 /nfs/dbraw/zinc/06/78/67/1065067867.db2.gz OKMDTUPCWUKNDC-IBGZPJMESA-N 0 0 457.397 4.667 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435929971 1065068067 /nfs/dbraw/zinc/06/80/67/1065068067.db2.gz HNELTJGNCWVERL-PMACEKPBSA-N 0 0 451.449 4.854 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001360181432 1065068357 /nfs/dbraw/zinc/06/83/57/1065068357.db2.gz ZURLWAMHLSKMEZ-LJQANCHMSA-N 0 0 457.317 4.819 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc3ocnc32)c(Cl)cc1Cl ZINC001435931976 1065069190 /nfs/dbraw/zinc/06/91/90/1065069190.db2.gz RVQOFGJMMDMGIS-NSHDSACASA-N 0 0 456.351 4.854 20 0 JJADRN CC(C)(C)c1csc(CCNC(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC001360182086 1065069126 /nfs/dbraw/zinc/06/91/26/1065069126.db2.gz CNFDHJFSLWUVQG-UHFFFAOYSA-N 0 0 452.349 4.970 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)CC2=O)cc1C ZINC001360182109 1065069284 /nfs/dbraw/zinc/06/92/84/1065069284.db2.gz DNMOSCLDQQKANP-SFHVURJKSA-N 0 0 453.970 4.575 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001360182614 1065069629 /nfs/dbraw/zinc/06/96/29/1065069629.db2.gz WFXDSMWBGQYWDJ-ROUUACIJSA-N 0 0 455.986 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC001360182704 1065069673 /nfs/dbraw/zinc/06/96/73/1065069673.db2.gz XSUNRTSAUIBJQK-GYCJOSAFSA-N 0 0 461.990 4.694 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001435933220 1065070305 /nfs/dbraw/zinc/07/03/05/1065070305.db2.gz OCDQYQNWBZPYHV-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN COc1ccc(S(C)(=O)=O)cc1COC(=O)c1cccnc1Sc1ccc(C)cc1C ZINC001435934493 1065070625 /nfs/dbraw/zinc/07/06/25/1065070625.db2.gz MVLOAPOILGYBLF-UHFFFAOYSA-N 0 0 457.573 4.619 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001360183512 1065070630 /nfs/dbraw/zinc/07/06/30/1065070630.db2.gz YDCQEBCIGTWRTG-SIKLNZKXSA-N 0 0 485.654 4.729 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001360183607 1065070830 /nfs/dbraw/zinc/07/08/30/1065070830.db2.gz ZVAOZVJKYYROHJ-UHFFFAOYSA-N 0 0 453.562 4.586 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cccnc1-c1ccc(Cl)s1)C[C@H]1CCCO1 ZINC001435935571 1065071075 /nfs/dbraw/zinc/07/10/75/1065071075.db2.gz YGSPZIQVISADEU-CQSZACIVSA-N 0 0 451.976 4.818 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CCC(F)(F)F)CC2CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001360184478 1065071199 /nfs/dbraw/zinc/07/11/99/1065071199.db2.gz LSIKBYLZGCDUSH-UHFFFAOYSA-N 0 0 477.453 4.652 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001360187436 1065072170 /nfs/dbraw/zinc/07/21/70/1065072170.db2.gz DKGGIBHIWDBTMV-INIZCTEOSA-N 0 0 456.359 4.964 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Oc2cnc3ccc(Br)cc3c2)[C@@H]1c1cccc(C)c1 ZINC001435937157 1065072178 /nfs/dbraw/zinc/07/21/78/1065072178.db2.gz CWGYUKJLSPZRJT-UGKGYDQZSA-N 0 0 453.336 4.821 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC001360187392 1065072271 /nfs/dbraw/zinc/07/22/71/1065072271.db2.gz CIVSKMBVZOFNIU-DQEYMECFSA-N 0 0 453.533 4.524 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)ccn2)C1 ZINC001435938363 1065072597 /nfs/dbraw/zinc/07/25/97/1065072597.db2.gz WCHHCYVEBWBRSA-OFVILXPXSA-N 0 0 457.574 4.575 20 0 JJADRN Cn1cc(CCC(=O)NCc2cc(Br)ccc2Br)c2ccccc21 ZINC001435938030 1065072656 /nfs/dbraw/zinc/07/26/56/1065072656.db2.gz SFSHEWDNQJPURD-UHFFFAOYSA-N 0 0 450.174 4.952 20 0 JJADRN COc1ccc(NC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)c2ncccc12 ZINC001435937931 1065072715 /nfs/dbraw/zinc/07/27/15/1065072715.db2.gz RZQXBTDLGSLVRJ-UHFFFAOYSA-N 0 0 453.461 4.762 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1Cc1ccsc1Br ZINC001360188741 1065073077 /nfs/dbraw/zinc/07/30/77/1065073077.db2.gz MPMZDUCRSIHUNY-MAUKXSAKSA-N 0 0 488.455 4.671 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CC1 ZINC001360188401 1065073227 /nfs/dbraw/zinc/07/32/27/1065073227.db2.gz QIZZAHPSKWWNLZ-MQNAVGNWSA-N 0 0 456.428 4.524 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c(C(F)(F)F)o1 ZINC001435938806 1065073205 /nfs/dbraw/zinc/07/32/05/1065073205.db2.gz CYDTXNFBWBSALE-UHFFFAOYSA-N 0 0 458.392 4.534 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC001435939565 1065073635 /nfs/dbraw/zinc/07/36/35/1065073635.db2.gz BYDQUGQODJKMIC-OAQYLSRUSA-N 0 0 458.986 4.977 20 0 JJADRN CC[C@H](NC(=O)c1cc2c(cc1Br)OCO2)c1cc(F)cc(Br)c1 ZINC001435940244 1065074085 /nfs/dbraw/zinc/07/40/85/1065074085.db2.gz DOFFUBUZXNEGSY-AWEZNQCLSA-N 0 0 459.109 4.961 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)n1 ZINC001360189979 1065074282 /nfs/dbraw/zinc/07/42/82/1065074282.db2.gz ICUHPJLPYBCJRH-UHFFFAOYSA-N 0 0 450.333 4.606 20 0 JJADRN Cn1c(CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)nc2cccc(Cl)c21 ZINC001435941605 1065074747 /nfs/dbraw/zinc/07/47/47/1065074747.db2.gz OLJSCSNUBVXELO-LJQANCHMSA-N 0 0 454.958 4.725 20 0 JJADRN Cc1ncc(Br)c(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)n1 ZINC001360190369 1065074738 /nfs/dbraw/zinc/07/47/38/1065074738.db2.gz ULNXVPJJLACJNR-CYBMUJFWSA-N 0 0 457.191 4.619 20 0 JJADRN COC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(OC)c(Cl)c1 ZINC001435943302 1065075270 /nfs/dbraw/zinc/07/52/70/1065075270.db2.gz WPWDGKQSBUREPT-QGZVFWFLSA-N 0 0 451.331 4.770 20 0 JJADRN CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC001360190514 1065075207 /nfs/dbraw/zinc/07/52/07/1065075207.db2.gz ZWEYYFFJPKMPPX-UHFFFAOYSA-N 0 0 457.983 4.770 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC(N)=O ZINC001492597012 1065075298 /nfs/dbraw/zinc/07/52/98/1065075298.db2.gz QFDRMNLZGXZILA-RTBURBONSA-N 0 0 481.666 4.752 20 0 JJADRN CCCCc1nc(-c2ccc(OC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)no1 ZINC001360191596 1065075331 /nfs/dbraw/zinc/07/53/31/1065075331.db2.gz HEEVJOLQPBKQJH-UHFFFAOYSA-N 0 0 453.564 4.915 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCc2ccc3c(c2)OCCCO3)CC1 ZINC001360192123 1065075708 /nfs/dbraw/zinc/07/57/08/1065075708.db2.gz OVTJVZOHFLCNNE-QHCPKHFHSA-N 0 0 458.549 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cccc(Cl)c1C ZINC001545894395 1065075670 /nfs/dbraw/zinc/07/56/70/1065075670.db2.gz VRSQZVXVHOIHOZ-INIZCTEOSA-N 0 0 453.965 4.688 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001545894369 1065075683 /nfs/dbraw/zinc/07/56/83/1065075683.db2.gz VKPCJCLCVZEUNF-HSZRJFAPSA-N 0 0 495.716 4.893 20 0 JJADRN CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC001435945906 1065075793 /nfs/dbraw/zinc/07/57/93/1065075793.db2.gz HWWBJPRDZCVFBO-UHFFFAOYSA-N 0 0 455.407 4.764 20 0 JJADRN CCCCc1nc(-c2ccc(OC(=O)C(F)(F)c3ncccc3Br)cc2)no1 ZINC001360191808 1065075731 /nfs/dbraw/zinc/07/57/31/1065075731.db2.gz JMWLEFSXBLOXDU-UHFFFAOYSA-N 0 0 452.255 4.934 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)s1 ZINC001435946886 1065076078 /nfs/dbraw/zinc/07/60/78/1065076078.db2.gz KMYMFPOJPUECOQ-UHFFFAOYSA-N 0 0 451.539 4.688 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)CCS2 ZINC001435946723 1065076091 /nfs/dbraw/zinc/07/60/91/1065076091.db2.gz MTBKJGVQLRIWLN-UHFFFAOYSA-N 0 0 456.564 4.892 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)CCc3ccc(C(N)=O)cc3)c2C(=O)OC(C)(C)C)C1 ZINC001435947791 1065076721 /nfs/dbraw/zinc/07/67/21/1065076721.db2.gz CGBKMIWWAUXRNV-HNNXBMFYSA-N 0 0 456.608 4.889 20 0 JJADRN CC[C@@H](OC(=O)CN1C(=O)COc2cc(Br)ccc21)c1cccc(Cl)c1F ZINC001435948260 1065077049 /nfs/dbraw/zinc/07/70/49/1065077049.db2.gz DITKEANIZBYJLK-OAHLLOKOSA-N 0 0 456.695 4.662 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001360197738 1065077279 /nfs/dbraw/zinc/07/72/79/1065077279.db2.gz LWTAAEWADHLDKH-XCZPVHLTSA-N 0 0 457.618 4.651 20 0 JJADRN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c1I ZINC001435948769 1065077602 /nfs/dbraw/zinc/07/76/02/1065077602.db2.gz PFWBNSAVGDLHJS-UHFFFAOYSA-N 0 0 451.329 4.995 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N3CCCCC[C@@H]3C)cc2)cc1C ZINC001435949068 1065077626 /nfs/dbraw/zinc/07/76/26/1065077626.db2.gz JXEAICUECLKMRM-SFTDATJTSA-N 0 0 458.624 4.687 20 0 JJADRN CN(C(=O)c1nn(-c2ccccc2F)cc1Br)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360198579 1065077632 /nfs/dbraw/zinc/07/76/32/1065077632.db2.gz ZRNPIJTXLSRFPN-QGZVFWFLSA-N 0 0 457.347 4.515 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC001360198397 1065077759 /nfs/dbraw/zinc/07/77/59/1065077759.db2.gz WGFTYIKWECTKIW-QGZVFWFLSA-N 0 0 457.452 4.910 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC001360203327 1065079135 /nfs/dbraw/zinc/07/91/35/1065079135.db2.gz YDMKDRMUHKVOAZ-SUHUHFCYSA-N 0 0 451.778 4.754 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001435954280 1065079447 /nfs/dbraw/zinc/07/94/47/1065079447.db2.gz UQODXYJQSAGBCN-LEWJYISDSA-N 0 0 457.412 4.586 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360203915 1065079630 /nfs/dbraw/zinc/07/96/30/1065079630.db2.gz VGFMUHIKNAHTGX-NHCUHLMSSA-N 0 0 493.574 4.753 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCCSc1ccccc1 ZINC001360203589 1065079669 /nfs/dbraw/zinc/07/96/69/1065079669.db2.gz KGNOAHQPCKJMCO-UHFFFAOYSA-N 0 0 469.577 4.768 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC001435955283 1065079800 /nfs/dbraw/zinc/07/98/00/1065079800.db2.gz APHNVWMYKRXLCJ-GFCCVEGCSA-N 0 0 455.026 4.734 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(OCc2ccccc2)c1 ZINC001435955582 1065079825 /nfs/dbraw/zinc/07/98/25/1065079825.db2.gz CDXDWGHUORMGHX-GOSISDBHSA-N 0 0 450.922 4.919 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC001435955285 1065079963 /nfs/dbraw/zinc/07/99/63/1065079963.db2.gz APHNVWMYKRXLCJ-LBPRGKRZSA-N 0 0 455.026 4.734 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC001360205904 1065080024 /nfs/dbraw/zinc/08/00/24/1065080024.db2.gz OYSWMUJDDGYQIP-UHFFFAOYSA-N 0 0 457.452 4.925 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3SCC(F)F)c(C)n2n1 ZINC001360206295 1065080075 /nfs/dbraw/zinc/08/00/75/1065080075.db2.gz WACADKOEWHZYQP-UHFFFAOYSA-N 0 0 457.959 4.655 20 0 JJADRN CC(C)(C)OCc1cc(CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)no1 ZINC001435956093 1065080310 /nfs/dbraw/zinc/08/03/10/1065080310.db2.gz DDRNBTWBSOQHGV-UHFFFAOYSA-N 0 0 450.358 4.806 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360206952 1065080654 /nfs/dbraw/zinc/08/06/54/1065080654.db2.gz MBDXPQPLWSDRCT-GPJFCIFZSA-N 0 0 493.574 4.690 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc(OC(F)F)c2cccnc12)N1CCCC1 ZINC001435957418 1065080821 /nfs/dbraw/zinc/08/08/21/1065080821.db2.gz UPOLJGMIPKGDLL-UHFFFAOYSA-N 0 0 457.502 4.803 20 0 JJADRN Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1C(=O)NC(C)C ZINC001360207607 1065080884 /nfs/dbraw/zinc/08/08/84/1065080884.db2.gz JVWMSWGIKZHXGQ-UHFFFAOYSA-N 0 0 454.933 4.852 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)CO2 ZINC001360209289 1065080922 /nfs/dbraw/zinc/08/09/22/1065080922.db2.gz PCHIWLYAPMWKKL-KRWDZBQOSA-N 0 0 458.436 4.769 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)cc1C(=O)NC(C)C ZINC001360208284 1065081014 /nfs/dbraw/zinc/08/10/14/1065081014.db2.gz YORDYSMONASFSR-VCOUNFBDSA-N 0 0 457.615 4.888 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1N1CCOCC1 ZINC001360209428 1065081268 /nfs/dbraw/zinc/08/12/68/1065081268.db2.gz UHFMRFKVELEZIW-UHFFFAOYSA-N 0 0 457.452 4.659 20 0 JJADRN CCn1c(SCC(=O)Nc2nc3ccc(C(C)=O)cc3s2)nnc1-c1cccc(C)c1 ZINC001435957804 1065081646 /nfs/dbraw/zinc/08/16/46/1065081646.db2.gz YDAIJJYUZYPMIO-UHFFFAOYSA-N 0 0 451.577 4.817 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360211658 1065081762 /nfs/dbraw/zinc/08/17/62/1065081762.db2.gz LNLPLGUPMJMOMK-UXHICEINSA-N 0 0 493.574 4.896 20 0 JJADRN COc1ccc(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001435958405 1065082200 /nfs/dbraw/zinc/08/22/00/1065082200.db2.gz TZQGPFPMSJTEEF-GCJKJVERSA-N 0 0 458.530 4.808 20 0 JJADRN COc1ccc(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001435958407 1065082323 /nfs/dbraw/zinc/08/23/23/1065082323.db2.gz TZQGPFPMSJTEEF-XMSQKQJNSA-N 0 0 458.530 4.808 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435959012 1065082630 /nfs/dbraw/zinc/08/26/30/1065082630.db2.gz CFFCOLICZZSZMP-LSDHHAIUSA-N 0 0 454.445 4.832 20 0 JJADRN CC[C@@H](CN(CC)C(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccccc1 ZINC001435958992 1065082647 /nfs/dbraw/zinc/08/26/47/1065082647.db2.gz CSKJZOPFAWOOTE-KRWDZBQOSA-N 0 0 459.384 4.607 20 0 JJADRN COc1cc(OC)c(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Br ZINC001435960486 1065083150 /nfs/dbraw/zinc/08/31/50/1065083150.db2.gz FGOCWRPERHDIAR-UHFFFAOYSA-N 0 0 454.748 4.807 20 0 JJADRN O=C(NCC1CCC(c2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001360213782 1065083239 /nfs/dbraw/zinc/08/32/39/1065083239.db2.gz LHOYCCUOSWHIDS-UHFFFAOYSA-N 0 0 454.636 4.955 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3oc4c(cc(Br)cc4C)c3C)ccc21 ZINC001435961497 1065083452 /nfs/dbraw/zinc/08/34/52/1065083452.db2.gz PDIDTFAXLZJSCM-UHFFFAOYSA-N 0 0 457.324 4.948 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214684 1065083773 /nfs/dbraw/zinc/08/37/73/1065083773.db2.gz QIDVQQPHDSRKJM-ZWKOTPCHSA-N 0 0 453.421 4.781 20 0 JJADRN O=C(CNC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)Nc1cccc2cccnc21 ZINC001360215106 1065083804 /nfs/dbraw/zinc/08/38/04/1065083804.db2.gz WPBYZVYTNWWIET-UHFFFAOYSA-N 0 0 457.330 4.521 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360216055 1065084319 /nfs/dbraw/zinc/08/43/19/1065084319.db2.gz GLDGBXLCRQHQJF-MUYFXNHWSA-N 0 0 489.611 4.802 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1Cc1ccsc1 ZINC001360216318 1065084364 /nfs/dbraw/zinc/08/43/64/1065084364.db2.gz LUCNVSDFHKQTSE-UHFFFAOYSA-N 0 0 467.639 4.514 20 0 JJADRN CN(Cc1ccccc1NC(=O)COCCOc1ccccc1)C(=O)c1cc2ccccc2o1 ZINC001360216815 1065084595 /nfs/dbraw/zinc/08/45/95/1065084595.db2.gz OMFPSCZCTGXISL-UHFFFAOYSA-N 0 0 458.514 4.739 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360216933 1065085354 /nfs/dbraw/zinc/08/53/54/1065085354.db2.gz RLKWQLCALKENFZ-UWJYYQICSA-N 0 0 455.345 4.917 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)OCc3ccc(OCC(F)(F)F)nc3)cs2)cc1 ZINC001435967083 1065085330 /nfs/dbraw/zinc/08/53/30/1065085330.db2.gz IZYZPHLMWXKBIS-UHFFFAOYSA-N 0 0 452.454 4.653 20 0 JJADRN CCCc1c(C(=O)N[C@H](Cc2ccccc2Cl)C(=O)OCC)cnn1-c1cccc(C)c1 ZINC001435967414 1065085350 /nfs/dbraw/zinc/08/53/50/1065085350.db2.gz JSBRXXJULIXKHZ-JOCHJYFZSA-N 0 0 453.970 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCc1ccc(C)cc1C ZINC001545894595 1065085444 /nfs/dbraw/zinc/08/54/44/1065085444.db2.gz ZRCPHLCDAPSPPU-LJQANCHMSA-N 0 0 465.564 4.835 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)Oc2ccccc21 ZINC001360220232 1065085817 /nfs/dbraw/zinc/08/58/17/1065085817.db2.gz AWQNREONBUPEDL-PKTZIBPZSA-N 0 0 456.876 4.638 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001435967780 1065085806 /nfs/dbraw/zinc/08/58/06/1065085806.db2.gz LOAKTSWNQSULDX-QHCPKHFHSA-N 0 0 452.938 4.623 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(I)cn1 ZINC001360220973 1065086071 /nfs/dbraw/zinc/08/60/71/1065086071.db2.gz ZLPXTBSFOWPFEH-NSHDSACASA-N 0 0 459.125 4.656 20 0 JJADRN CCc1c(C(=O)N2CCc3c(Br)cc(C)cc3C2)nnn1-c1cccc(Cl)c1 ZINC001435971833 1065087373 /nfs/dbraw/zinc/08/73/73/1065087373.db2.gz SEXDTINWBJUQHU-UHFFFAOYSA-N 0 0 459.775 4.753 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360224107 1065087687 /nfs/dbraw/zinc/08/76/87/1065087687.db2.gz ZEVSISRBIPGZBR-RBUKOAKNSA-N 0 0 499.553 4.821 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1c(C(F)F)nc2ccccn21 ZINC001360225274 1065088133 /nfs/dbraw/zinc/08/81/33/1065088133.db2.gz RTOSROUAMBVQLN-UHFFFAOYSA-N 0 0 456.493 4.890 20 0 JJADRN CCCO[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001360225299 1065088417 /nfs/dbraw/zinc/08/84/17/1065088417.db2.gz SFCCARFHTJEETM-ASDGIDEWSA-N 0 0 456.671 4.984 20 0 JJADRN Cn1cc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(-c2cccs2)n1 ZINC001360225469 1065088471 /nfs/dbraw/zinc/08/84/71/1065088471.db2.gz VHHWCWLORVWAGX-UHFFFAOYSA-N 0 0 452.580 4.766 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC001360225507 1065088490 /nfs/dbraw/zinc/08/84/90/1065088490.db2.gz WEPAEAZTBMQLMV-MZNJEOGPSA-N 0 0 459.571 4.872 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N(Cc3ccc(F)cc3)C(C)(C)C)n2)CCCCCC1 ZINC001435975798 1065088585 /nfs/dbraw/zinc/08/85/85/1065088585.db2.gz IYYJYOPCMJBMLJ-UHFFFAOYSA-N 0 0 458.578 4.654 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360226914 1065089467 /nfs/dbraw/zinc/08/94/67/1065089467.db2.gz RFBPRKDASWYYCQ-YPAWHYETSA-N 0 0 467.658 4.988 20 0 JJADRN COc1ccc(CN(C(=O)c2nc(C(C)C)ncc2Br)C(C)(C)C)c(OC)c1 ZINC001435976846 1065089660 /nfs/dbraw/zinc/08/96/60/1065089660.db2.gz OIONECYBCWFLAJ-UHFFFAOYSA-N 0 0 450.377 4.821 20 0 JJADRN COc1ccc(CN(C(=O)c2cn(C(C)(C)C)nc2Br)C(C)(C)C)c(OC)c1 ZINC001435977316 1065089771 /nfs/dbraw/zinc/08/97/71/1065089771.db2.gz RPTJNJDZIKGGNH-UHFFFAOYSA-N 0 0 452.393 4.859 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccccc1OC(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360227617 1065089948 /nfs/dbraw/zinc/08/99/48/1065089948.db2.gz DMJWZSIHQWAYJZ-FDDCHVKYSA-N 0 0 458.549 4.914 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1Cc1ccccc1OC(C)C ZINC001360227839 1065089965 /nfs/dbraw/zinc/08/99/65/1065089965.db2.gz ZAIZCJHIGMTVEE-IBGZPJMESA-N 0 0 453.612 4.655 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(I)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001435978889 1065090083 /nfs/dbraw/zinc/09/00/83/1065090083.db2.gz SVYOWMDSMYEBGJ-MSOLQXFVSA-N 0 0 453.295 4.544 20 0 JJADRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cn2c(Br)cnc2s1 ZINC001435978133 1065090126 /nfs/dbraw/zinc/09/01/26/1065090126.db2.gz GNYJVQMIHSDSMT-UHFFFAOYSA-N 0 0 454.762 4.506 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H](OC)c1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360227511 1065090122 /nfs/dbraw/zinc/09/01/22/1065090122.db2.gz CVVLHIMCVPXLRJ-PNTFMKQHSA-N 0 0 454.586 4.525 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCc1ccc(Br)cc1 ZINC001360227924 1065090564 /nfs/dbraw/zinc/09/05/64/1065090564.db2.gz QKTJDWUGDBFAIN-IBGZPJMESA-N 0 0 488.455 4.825 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)c1F ZINC001435979084 1065090742 /nfs/dbraw/zinc/09/07/42/1065090742.db2.gz UZJWCCGOTBDMIT-SFHVURJKSA-N 0 0 454.336 4.892 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCOc1cccc(Cl)c1 ZINC001360228375 1065091002 /nfs/dbraw/zinc/09/10/02/1065091002.db2.gz VNSDTBYHHIDCIK-LJQANCHMSA-N 0 0 460.003 4.552 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(C)c1 ZINC001435979976 1065091118 /nfs/dbraw/zinc/09/11/18/1065091118.db2.gz ZPMOQOURKQNGBM-NQIIRXRSSA-N 0 0 454.983 4.639 20 0 JJADRN CC(C)OC[C@@H](OC(=O)COc1cccc(I)c1)c1cccc(F)c1 ZINC001435981292 1065091248 /nfs/dbraw/zinc/09/12/48/1065091248.db2.gz SGQIQXQIIXNETR-GOSISDBHSA-N 0 0 458.267 4.519 20 0 JJADRN Cc1c(C(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)nnn1-c1cccc(C)c1 ZINC001435982219 1065091526 /nfs/dbraw/zinc/09/15/26/1065091526.db2.gz BBBSCLUEYGVNJR-UHFFFAOYSA-N 0 0 453.384 4.975 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccc(NC(C)C)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360230992 1065091974 /nfs/dbraw/zinc/09/19/74/1065091974.db2.gz BZPAWPIKHMPAPK-NBGIEHNGSA-N 0 0 450.627 4.528 20 0 JJADRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001435983509 1065092050 /nfs/dbraw/zinc/09/20/50/1065092050.db2.gz BQYHKSKZCVBGQE-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1Cc1sccc1Br ZINC001360232129 1065092457 /nfs/dbraw/zinc/09/24/57/1065092457.db2.gz YXKCBPODESHKNT-AWEZNQCLSA-N 0 0 494.484 4.562 20 0 JJADRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001435985032 1065092884 /nfs/dbraw/zinc/09/28/84/1065092884.db2.gz HSGXQHTYXYSBDT-CQSZACIVSA-N 0 0 456.917 4.940 20 0 JJADRN COc1ccc(COC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c(OC(F)F)c1 ZINC001360232625 1065092889 /nfs/dbraw/zinc/09/28/89/1065092889.db2.gz PWHGVBBTHUONPS-JOCHJYFZSA-N 0 0 453.441 4.737 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC001435986809 1065093626 /nfs/dbraw/zinc/09/36/26/1065093626.db2.gz SJGNDGBWFHXIHB-QGZVFWFLSA-N 0 0 457.061 4.976 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)nc1C ZINC001360235285 1065093852 /nfs/dbraw/zinc/09/38/52/1065093852.db2.gz IVNJIJLNLJVFLI-UHFFFAOYSA-N 0 0 452.417 4.543 20 0 JJADRN Cn1cc(-c2nc(C(=O)N[C@H]3CCCc4cc(NC(=O)OC(C)(C)C)ccc43)cs2)cn1 ZINC001435986551 1065093777 /nfs/dbraw/zinc/09/37/77/1065093777.db2.gz IDQQLYLTMCFNFX-SFHVURJKSA-N 0 0 453.568 4.698 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC001435986437 1065093867 /nfs/dbraw/zinc/09/38/67/1065093867.db2.gz WVCADWLVSZHURV-FXAWDEMLSA-N 0 0 456.336 4.623 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)[C@H]1CCC[C@@H](C)C1 ZINC001360236651 1065094650 /nfs/dbraw/zinc/09/46/50/1065094650.db2.gz NETGKYLRHVKVPD-FTIRODQDSA-N 0 0 453.627 4.725 20 0 JJADRN Cc1c(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)nnn1-c1ccc(C)cc1 ZINC001435987663 1065094724 /nfs/dbraw/zinc/09/47/24/1065094724.db2.gz WTNAPUCKMMMQGT-HXUWFJFHSA-N 0 0 454.958 4.667 20 0 JJADRN CC(C)C(=O)Nc1cc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)ccn1 ZINC001435989779 1065095562 /nfs/dbraw/zinc/09/55/62/1065095562.db2.gz PSCRLAPSWSHGRV-HXUWFJFHSA-N 0 0 452.555 4.831 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001435989060 1065095709 /nfs/dbraw/zinc/09/57/09/1065095709.db2.gz WZHFIVWIJBETQR-LJQANCHMSA-N 0 0 454.395 4.613 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)NCCc2ccc(OCC(F)(F)F)nc2)on1 ZINC001435989464 1065095739 /nfs/dbraw/zinc/09/57/39/1065095739.db2.gz XILUIAMBRRXSOS-UHFFFAOYSA-N 0 0 451.470 4.584 20 0 JJADRN COc1cc(C(=O)Nc2cc(Br)ccc2-n2cccn2)ccc1Br ZINC001360239751 1065095573 /nfs/dbraw/zinc/09/55/73/1065095573.db2.gz DPCYWFBWSOSCKO-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001360241865 1065095708 /nfs/dbraw/zinc/09/57/08/1065095708.db2.gz BEGRHSSSHGZRCA-IFMALSPDSA-N 0 0 456.876 4.660 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001360241868 1065095752 /nfs/dbraw/zinc/09/57/52/1065095752.db2.gz BEGRHSSSHGZRCA-UNMCSNQZSA-N 0 0 456.876 4.660 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 ZINC001435989048 1065095767 /nfs/dbraw/zinc/09/57/67/1065095767.db2.gz DKTUKVNCWPLVFU-GFCCVEGCSA-N 0 0 454.752 4.684 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001435991553 1065096653 /nfs/dbraw/zinc/09/66/53/1065096653.db2.gz BVBILPATSYASJD-INIZCTEOSA-N 0 0 458.967 4.972 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC001435991412 1065096826 /nfs/dbraw/zinc/09/68/26/1065096826.db2.gz ZJFJYPWRWBAEMJ-HXUWFJFHSA-N 0 0 450.539 4.585 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001435991400 1065096845 /nfs/dbraw/zinc/09/68/45/1065096845.db2.gz 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ZINC000019622302 1065110103 /nfs/dbraw/zinc/11/01/03/1065110103.db2.gz CMZDDGPRPZLYKA-UHFFFAOYSA-N 0 0 479.480 4.621 20 0 JJADRN CC(C)c1c(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC001436012426 1065110079 /nfs/dbraw/zinc/11/00/79/1065110079.db2.gz KFFPAXVBPIAIIK-SFHVURJKSA-N 0 0 452.986 4.941 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)CC2=O)c1 ZINC001436013124 1065110740 /nfs/dbraw/zinc/11/07/40/1065110740.db2.gz WRJNSUQFVMUOOV-CYBMUJFWSA-N 0 0 456.461 4.870 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)nc1 ZINC001360267684 1065110745 /nfs/dbraw/zinc/11/07/45/1065110745.db2.gz ATICQBSZPZGQFY-LJQANCHMSA-N 0 0 453.292 4.665 20 0 JJADRN CC(C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001360269253 1065111361 /nfs/dbraw/zinc/11/13/61/1065111361.db2.gz CUPBRXAGOVQZNV-INIZCTEOSA-N 0 0 482.456 4.951 20 0 JJADRN CC(C)n1cc([C@H](C)NC(=O)c2cc(I)c(Cl)cc2Cl)cn1 ZINC001360268200 1065111511 /nfs/dbraw/zinc/11/15/11/1065111511.db2.gz 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COc1cccc(CNC(=O)c2nn(C(C)(C)C)cc2Br)c1OC1CCCC1 ZINC001360270928 1065112872 /nfs/dbraw/zinc/11/28/72/1065112872.db2.gz MOCMKAWOIOOUEE-UHFFFAOYSA-N 0 0 450.377 4.661 20 0 JJADRN COc1cccc(CNC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c1OC1CCCC1 ZINC001360271411 1065112958 /nfs/dbraw/zinc/11/29/58/1065112958.db2.gz RUUBXVKKOMDAOT-UHFFFAOYSA-N 0 0 453.514 4.763 20 0 JJADRN Cc1ccc(C)c(-n2cnc3cc(C(=O)NCCCNC(=O)/C=C/c4ccccc4)ccc32)c1 ZINC001436014764 1065113574 /nfs/dbraw/zinc/11/35/74/1065113574.db2.gz YPTIQWGASRTKEL-SDNWHVSQSA-N 0 0 452.558 4.592 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N(Cc1ccc(OC)cc1OC)CC1CCC1 ZINC001436015233 1065113642 /nfs/dbraw/zinc/11/36/42/1065113642.db2.gz ORBMFANHDDTOQP-KRWDZBQOSA-N 0 0 457.592 4.800 20 0 JJADRN Cc1cncc(N(Cc2ccccc2Br)C(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC001436014813 1065113700 /nfs/dbraw/zinc/11/37/00/1065113700.db2.gz WZLCBQKXWTYBKC-UHFFFAOYSA-N 0 0 453.262 4.752 20 0 JJADRN CC(C)NC(=O)CCn1c(N2CCC(Cl)=C(Cl)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360272468 1065113710 /nfs/dbraw/zinc/11/37/10/1065113710.db2.gz QNYJQPLYOJSMBL-UHFFFAOYSA-N 0 0 462.425 4.562 20 0 JJADRN CC(C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001360271502 1065113742 /nfs/dbraw/zinc/11/37/42/1065113742.db2.gz HFTGIYNCBAFEIS-IBGZPJMESA-N 0 0 482.119 4.716 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H]2CC(C)(C)CCc3ccccc32)cc1 ZINC001436016386 1065114201 /nfs/dbraw/zinc/11/42/01/1065114201.db2.gz IPEUQNOSLIFCDN-GOTSBHOMSA-N 0 0 452.620 4.820 20 0 JJADRN CCCCC[C@@](C)(CC)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001436017288 1065115052 /nfs/dbraw/zinc/11/50/52/1065115052.db2.gz JTOUAZKZEJWYRV-LAUBAEHRSA-N 0 0 451.574 4.583 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(C)ccc1OCc1ccccc1 ZINC001436016519 1065115102 /nfs/dbraw/zinc/11/51/02/1065115102.db2.gz HNZVTCOSBQOOQP-VWLOTQADSA-N 0 0 459.521 4.880 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC1CCCC1 ZINC001360274778 1065115111 /nfs/dbraw/zinc/11/51/11/1065115111.db2.gz RWADHGBNZLHDKO-UHFFFAOYSA-N 0 0 468.429 4.562 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360274218 1065115118 /nfs/dbraw/zinc/11/51/18/1065115118.db2.gz IPVIFTXRJFBSMA-YKSBVNFPSA-N 0 0 487.714 4.688 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOC1CCCCCC1 ZINC001360274775 1065115194 /nfs/dbraw/zinc/11/51/94/1065115194.db2.gz RPEVTVRXPRWCLP-UHFFFAOYSA-N 0 0 469.674 4.943 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360274895 1065115216 /nfs/dbraw/zinc/11/52/16/1065115216.db2.gz UFABQIZSPKWJMV-HRAATJIYSA-N 0 0 480.028 4.540 20 0 JJADRN COc1cccc(CN(C)C(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1F ZINC001436016906 1065115143 /nfs/dbraw/zinc/11/51/43/1065115143.db2.gz GBVHUXJJIWYBRN-JOCHJYFZSA-N 0 0 459.558 4.986 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc(Br)s1 ZINC001436019165 1065116537 /nfs/dbraw/zinc/11/65/37/1065116537.db2.gz JRUDVULZNQRSTC-CQSZACIVSA-N 0 0 451.264 4.728 20 0 JJADRN O=C(CCCOCc1ccccc1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001360275538 1065116617 /nfs/dbraw/zinc/11/66/17/1065116617.db2.gz NYTQHPMNALWVHY-UHFFFAOYSA-N 0 0 459.333 4.971 20 0 JJADRN O=C(CCc1nnc(-c2ccccc2)o1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001360275276 1065116624 /nfs/dbraw/zinc/11/66/24/1065116624.db2.gz BVWGNBXYNPPXQI-UHFFFAOYSA-N 0 0 456.325 4.589 20 0 JJADRN O=C(Cc1cccc2cnccc21)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001360275379 1065116664 /nfs/dbraw/zinc/11/66/64/1065116664.db2.gz GVMNOZCBVZDGKP-UHFFFAOYSA-N 0 0 452.301 4.765 20 0 JJADRN CC(C)[C@@H](C(=O)NCCOc1ccc(I)cc1)c1cccc(Cl)c1 ZINC001436019177 1065116783 /nfs/dbraw/zinc/11/67/83/1065116783.db2.gz FDOAGUWXYALQJN-GOSISDBHSA-N 0 0 457.739 4.879 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2ncc(Br)cc2Br)cc1 ZINC001360276044 1065117286 /nfs/dbraw/zinc/11/72/86/1065117286.db2.gz HWBDNSWWZARAPX-HNNXBMFYSA-N 0 0 456.203 4.845 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1csc(N2CCCCC2)n1 ZINC001360276113 1065117288 /nfs/dbraw/zinc/11/72/88/1065117288.db2.gz YGZOMLGISOERBI-UHFFFAOYSA-N 0 0 450.387 4.667 20 0 JJADRN C[C@H](C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccccc1 ZINC001360276691 1065117968 /nfs/dbraw/zinc/11/79/68/1065117968.db2.gz OWCRUEIDAZEZGF-SFHVURJKSA-N 0 0 452.551 4.985 20 0 JJADRN COc1ccc([C@@H](NC(=O)COCc2cccc(Cl)c2)c2ccc(OC)cc2OC)cc1 ZINC001360278221 1065119348 /nfs/dbraw/zinc/11/93/48/1065119348.db2.gz HCLHSJXUTMYIDU-RUZDIDTESA-N 0 0 455.938 4.788 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC001360278684 1065120203 /nfs/dbraw/zinc/12/02/03/1065120203.db2.gz PDAQZSKNJIWCTD-UHFFFAOYSA-N 0 0 456.502 4.656 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001436022799 1065120213 /nfs/dbraw/zinc/12/02/13/1065120213.db2.gz SZVFHPGHQMMQGJ-AREMUKBSSA-N 0 0 452.551 4.517 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)c1 ZINC001436023195 1065120226 /nfs/dbraw/zinc/12/02/26/1065120226.db2.gz WZPHFTQEQKBRJH-HXUWFJFHSA-N 0 0 458.942 4.561 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)Cc2ccc3c(c2)NC(=O)C3)c(Br)c1 ZINC001436023647 1065120958 /nfs/dbraw/zinc/12/09/58/1065120958.db2.gz QXRCSUAGVJYUCK-UHFFFAOYSA-N 0 0 453.336 4.617 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)C1)OCc1ccccc1 ZINC001360280438 1065121526 /nfs/dbraw/zinc/12/15/26/1065121526.db2.gz RQBMNDQRNSPSGV-GRGXKFILSA-N 0 0 454.592 4.742 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](C)OC[C@@H]2CCCCO2)c(Br)c1 ZINC001436024186 1065121578 /nfs/dbraw/zinc/12/15/78/1065121578.db2.gz XKKNWEZLEVFNOW-PXNSSMCTSA-N 0 0 450.373 4.854 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)C2)c1 ZINC001436026641 1065122185 /nfs/dbraw/zinc/12/21/85/1065122185.db2.gz WFIDYGGRGKHMKE-INIZCTEOSA-N 0 0 452.448 4.875 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001436026673 1065122241 /nfs/dbraw/zinc/12/22/41/1065122241.db2.gz RUNFLIJVDBLCIG-VGSWGCGISA-N 0 0 451.405 4.835 20 0 JJADRN Cc1c(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nnn1Cc1ccc(F)cc1 ZINC001436026992 1065122677 /nfs/dbraw/zinc/12/26/77/1065122677.db2.gz APAVRJCBJVKLOP-NRFANRHFSA-N 0 0 450.411 4.504 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC4CCCCC4)cc3)C2)cc1 ZINC001360282167 1065122818 /nfs/dbraw/zinc/12/28/18/1065122818.db2.gz SCKDZECUDOWBIV-FQEVSTJZSA-N 0 0 456.608 4.746 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1F ZINC001436027197 1065122891 /nfs/dbraw/zinc/12/28/91/1065122891.db2.gz VEOGCAOQPRUQJM-UHFFFAOYSA-N 0 0 459.370 4.628 20 0 JJADRN Cc1ccc2c(c1)S[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1)C2 ZINC001436028045 1065123447 /nfs/dbraw/zinc/12/34/47/1065123447.db2.gz BHJGGOQEVAVJQP-UNMCSNQZSA-N 0 0 456.583 4.972 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC001436028651 1065124066 /nfs/dbraw/zinc/12/40/66/1065124066.db2.gz HRWMOBWJPTTYQU-XMSQKQJNSA-N 0 0 456.558 4.976 20 0 JJADRN Cc1nc(C)c(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)s1 ZINC001436028402 1065124119 /nfs/dbraw/zinc/12/41/19/1065124119.db2.gz FLWKEIJGNWPHOL-GOSISDBHSA-N 0 0 450.004 4.776 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3csc4ccccc34)c2)cc1 ZINC001360284878 1065124235 /nfs/dbraw/zinc/12/42/35/1065124235.db2.gz OARHOQMNNVUMAJ-UHFFFAOYSA-N 0 0 452.557 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=Cc3cc(F)ccc3OC2)[C@H](c2cccc(F)c2)C1 ZINC001436029236 1065124812 /nfs/dbraw/zinc/12/48/12/1065124812.db2.gz MJZNCVWHVGHRTO-NRFANRHFSA-N 0 0 456.489 4.561 20 0 JJADRN COc1cc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)cc1OC ZINC001436029082 1065124822 /nfs/dbraw/zinc/12/48/22/1065124822.db2.gz LDXCMDQARGQNAN-HXUWFJFHSA-N 0 0 458.530 4.586 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001360286571 1065124948 /nfs/dbraw/zinc/12/49/48/1065124948.db2.gz KYLOITGSYYMCQL-PKTZIBPZSA-N 0 0 452.348 4.999 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC001436029519 1065125426 /nfs/dbraw/zinc/12/54/26/1065125426.db2.gz OKKAMSGHWVHGJD-KORDQABASA-N 0 0 454.611 4.765 20 0 JJADRN CCN(C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(C(F)(F)F)cc1 ZINC001436029779 1065125460 /nfs/dbraw/zinc/12/54/60/1065125460.db2.gz CLCCHDAEJDRBES-UHFFFAOYSA-N 0 0 456.530 4.722 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360287162 1065125579 /nfs/dbraw/zinc/12/55/79/1065125579.db2.gz CGTBQCOCCRPRQH-UHFFFAOYSA-N 0 0 488.411 4.676 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCc1ccccc1 ZINC001360287157 1065125600 /nfs/dbraw/zinc/12/56/00/1065125600.db2.gz CAYOQEXMOQIQGJ-UHFFFAOYSA-N 0 0 465.667 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc3n2CCCCC3)[C@@H](c2ccccc2Cl)C1 ZINC001436030136 1065126041 /nfs/dbraw/zinc/12/60/41/1065126041.db2.gz RZUDUDIQITYRTO-HXUWFJFHSA-N 0 0 458.990 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@@H](c2ccccc2Cl)C1 ZINC001436030499 1065126706 /nfs/dbraw/zinc/12/67/06/1065126706.db2.gz WMGXNOHSZTYHFZ-GHTZIAJQSA-N 0 0 456.970 4.712 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 ZINC001360289809 1065126792 /nfs/dbraw/zinc/12/67/92/1065126792.db2.gz UQXNNKLKWIUVHW-UHFFFAOYSA-N 0 0 453.545 4.561 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)[C@H](C)C1 ZINC001360292510 1065127422 /nfs/dbraw/zinc/12/74/22/1065127422.db2.gz XZFWEGQHUUEHKK-WOIUINJBSA-N 0 0 450.608 4.879 20 0 JJADRN COCCCCN(C(=O)c1cc2cc(OC)ccc2nc1C)c1ccc(Br)cn1 ZINC001436031677 1065127947 /nfs/dbraw/zinc/12/79/47/1065127947.db2.gz DBPUMVUGKTUKKG-UHFFFAOYSA-N 0 0 458.356 4.783 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001436032062 1065128634 /nfs/dbraw/zinc/12/86/34/1065128634.db2.gz WAZXQBHMEPNXRI-MGPUTAFESA-N 0 0 452.357 4.840 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001436032063 1065128754 /nfs/dbraw/zinc/12/87/54/1065128754.db2.gz WAZXQBHMEPNXRI-QRWLVFNGSA-N 0 0 452.357 4.840 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N[C@H](C)c3cc(OC)c(OC)cc3F)CC2(Cl)Cl)cc1 ZINC001360293920 1065128845 /nfs/dbraw/zinc/12/88/45/1065128845.db2.gz XHYYWOGLJDTTDX-LRTDBIEQSA-N 0 0 456.341 4.934 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC001436032204 1065129324 /nfs/dbraw/zinc/12/93/24/1065129324.db2.gz FBWIRJZNZYMPCZ-MRXNPFEDSA-N 0 0 451.292 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)CCc3cc(Br)cs3)C2)C1 ZINC001436032879 1065129345 /nfs/dbraw/zinc/12/93/45/1065129345.db2.gz IXTHZPFQSCYHRU-FQEVSTJZSA-N 0 0 457.434 4.693 20 0 JJADRN CO[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001436032963 1065129963 /nfs/dbraw/zinc/12/99/63/1065129963.db2.gz KXWCCCXKDPHAAY-XMSQKQJNSA-N 0 0 456.505 4.643 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360296867 1065130139 /nfs/dbraw/zinc/13/01/39/1065130139.db2.gz DMKQYYHCSKFLMK-INIZCTEOSA-N 0 0 457.290 4.675 20 0 JJADRN CC(=O)N(CC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 ZINC001360296816 1065130151 /nfs/dbraw/zinc/13/01/51/1065130151.db2.gz YFDICBWPXNWJBI-UHFFFAOYSA-N 0 0 457.317 4.632 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001360296690 1065130232 /nfs/dbraw/zinc/13/02/32/1065130232.db2.gz BGHQKDSIAAHDMP-UHFFFAOYSA-N 0 0 453.420 4.840 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2=O)cc1 ZINC001360297210 1065130760 /nfs/dbraw/zinc/13/07/60/1065130760.db2.gz MYROMKDEHKJSQK-APYJYERMSA-N 0 0 452.620 4.564 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Br)c1 ZINC001360297328 1065130772 /nfs/dbraw/zinc/13/07/72/1065130772.db2.gz QNDIIUPIJBFQIQ-CJNGLKHVSA-N 0 0 457.290 4.846 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC001360297373 1065130793 /nfs/dbraw/zinc/13/07/93/1065130793.db2.gz RZKSXJDPRSWMFT-QXNWPYRLSA-N 0 0 456.677 4.997 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1)C(C)C ZINC001360299273 1065132251 /nfs/dbraw/zinc/13/22/51/1065132251.db2.gz GALHZALHHBZFLZ-BKMJKUGQSA-N 0 0 457.615 4.952 20 0 JJADRN CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360298111 1065132311 /nfs/dbraw/zinc/13/23/11/1065132311.db2.gz MSYWMDXBFMTNAY-AWEZNQCLSA-N 0 0 475.968 4.527 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Br)cc1)C(C)C ZINC001360299558 1065132331 /nfs/dbraw/zinc/13/23/31/1065132331.db2.gz LNGZVDCFGZUCNS-UHFFFAOYSA-N 0 0 455.356 4.644 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001436036110 1065132835 /nfs/dbraw/zinc/13/28/35/1065132835.db2.gz BZPKNZWCQKOXIO-HXUWFJFHSA-N 0 0 450.539 4.753 20 0 JJADRN Cc1c(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)sc2cccc(F)c12 ZINC001436036043 1065132875 /nfs/dbraw/zinc/13/28/75/1065132875.db2.gz CHKVTDFGHMDAMS-UHFFFAOYSA-N 0 0 450.333 4.595 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC001360299978 1065132987 /nfs/dbraw/zinc/13/29/87/1065132987.db2.gz AYMATAXVKJSDPQ-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)n1 ZINC001360299981 1065133011 /nfs/dbraw/zinc/13/30/11/1065133011.db2.gz AYYQEEUCDONPPA-OAHLLOKOSA-N 0 0 452.511 4.795 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001360300595 1065133492 /nfs/dbraw/zinc/13/34/92/1065133492.db2.gz UHYUMSOQYMVHQY-WJOKGBTCSA-N 0 0 453.530 4.611 20 0 JJADRN O=C(NCCCOC(F)F)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 ZINC001436038855 1065134231 /nfs/dbraw/zinc/13/42/31/1065134231.db2.gz WCGGLZWAIWMSSC-UHFFFAOYSA-N 0 0 454.452 4.645 20 0 JJADRN CC1(c2cccc(Cl)c2)CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC001436039835 1065134278 /nfs/dbraw/zinc/13/42/78/1065134278.db2.gz BAWIBFSYTFKSIT-UHFFFAOYSA-N 0 0 454.998 4.538 20 0 JJADRN C[C@H]1[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001436040594 1065134939 /nfs/dbraw/zinc/13/49/39/1065134939.db2.gz NVRASQYHJAVBDM-HNAYVOBHSA-N 0 0 451.405 4.801 20 0 JJADRN C[C@@H]1[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001436040593 1065135006 /nfs/dbraw/zinc/13/50/06/1065135006.db2.gz NVRASQYHJAVBDM-DNVCBOLYSA-N 0 0 451.405 4.801 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001436040905 1065135724 /nfs/dbraw/zinc/13/57/24/1065135724.db2.gz SDFAQHGRCBXLPF-UHFFFAOYSA-N 0 0 452.002 4.672 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1 ZINC001436041357 1065135751 /nfs/dbraw/zinc/13/57/51/1065135751.db2.gz BFODFXIEKJIELI-UHFFFAOYSA-N 0 0 456.376 4.620 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC001360303116 1065135780 /nfs/dbraw/zinc/13/57/80/1065135780.db2.gz VGHMNWZHQBUARW-VWNXMTODSA-N 0 0 450.579 4.849 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC001360302747 1065135808 /nfs/dbraw/zinc/13/58/08/1065135808.db2.gz MHOMWMKTKXLUKG-FYYLOGMGSA-N 0 0 454.567 4.946 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(OCCc3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001360303245 1065135845 /nfs/dbraw/zinc/13/58/45/1065135845.db2.gz XPWUNMOSKHESFZ-UHFFFAOYSA-N 0 0 452.986 4.908 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@H]1CNC(=O)c2ccccc21 ZINC001436041481 1065135779 /nfs/dbraw/zinc/13/57/79/1065135779.db2.gz JOAIGLRAPCYBOW-SFHVURJKSA-N 0 0 455.283 4.846 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)ccc2Br)c(OC)c(C)c1OC ZINC001436042382 1065136350 /nfs/dbraw/zinc/13/63/50/1065136350.db2.gz UUMSXPPWTDHXFD-UHFFFAOYSA-N 0 0 459.134 4.798 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001360303840 1065136373 /nfs/dbraw/zinc/13/63/73/1065136373.db2.gz ADQGQXKVEQWDMC-LPHOPBHVSA-N 0 0 496.578 4.601 20 0 JJADRN COc1cc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001436042142 1065136389 /nfs/dbraw/zinc/13/63/89/1065136389.db2.gz RCJBJZGUHKUTFO-UHFFFAOYSA-N 0 0 456.539 4.961 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c2ccc(Br)cc2n1 ZINC001360303371 1065136405 /nfs/dbraw/zinc/13/64/05/1065136405.db2.gz BLRBMEKMSGJHCY-UHFFFAOYSA-N 0 0 452.308 4.520 20 0 JJADRN O=C(Nc1ccc(Br)c2cccnc12)c1cnc2ncc(Br)cc2c1 ZINC001436042971 1065137194 /nfs/dbraw/zinc/13/71/94/1065137194.db2.gz GNVZUCIRWZGXCY-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)cc1 ZINC001360303995 1065137288 /nfs/dbraw/zinc/13/72/88/1065137288.db2.gz RMAWWFKJNIHDQB-UHFFFAOYSA-N 0 0 451.544 4.601 20 0 JJADRN CCc1nc2cc(CNC(=O)CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2n1C1CC1 ZINC001436042850 1065137215 /nfs/dbraw/zinc/13/72/15/1065137215.db2.gz WKEOJAXVFHMPCB-SFHVURJKSA-N 0 0 454.615 4.977 20 0 JJADRN CCc1nc2cc(CNC(=O)c3cc(OC)cc(Br)c3OC)ccc2n1C1CC1 ZINC001436042952 1065137277 /nfs/dbraw/zinc/13/72/77/1065137277.db2.gz XVLXUBOAKSHWMF-UHFFFAOYSA-N 0 0 458.356 4.643 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 ZINC001360304698 1065138067 /nfs/dbraw/zinc/13/80/67/1065138067.db2.gz ONEQSMSJZXTXCH-AREMUKBSSA-N 0 0 468.646 4.765 20 0 JJADRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cnn2c1OCCC2 ZINC001436043027 1065138069 /nfs/dbraw/zinc/13/80/69/1065138069.db2.gz SQPNTMHVOOATGN-OAQYLSRUSA-N 0 0 459.468 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C(C)(C)C1 ZINC001436044201 1065138509 /nfs/dbraw/zinc/13/85/09/1065138509.db2.gz PXYRJNONHLWNJX-NRFANRHFSA-N 0 0 451.567 4.704 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cnc(-c4ccccc4Cl)nc3)CC2)c1 ZINC001436044257 1065139315 /nfs/dbraw/zinc/13/93/15/1065139315.db2.gz QQMKLXKTIZVJLI-UHFFFAOYSA-N 0 0 455.917 4.915 20 0 JJADRN CC(C)c1ncc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cn1 ZINC001436044766 1065139462 /nfs/dbraw/zinc/13/94/62/1065139462.db2.gz BZVJBXPKOAAEGH-UHFFFAOYSA-N 0 0 458.440 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C(C)(C)C1 ZINC001436044768 1065139819 /nfs/dbraw/zinc/13/98/19/1065139819.db2.gz VSOGVEAJKJECRC-RYRKJORJSA-N 0 0 456.505 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](c3ccccn3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436044922 1065139825 /nfs/dbraw/zinc/13/98/25/1065139825.db2.gz CFRYPARWQPOEDX-NRSPTQNISA-N 0 0 455.986 4.702 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1cc(-c2cccc(F)c2)no1 ZINC001436045249 1065139852 /nfs/dbraw/zinc/13/98/52/1065139852.db2.gz FKEOQALNGDELOX-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001436044961 1065139945 /nfs/dbraw/zinc/13/99/45/1065139945.db2.gz CTMPZRCBGRWAAK-UHFFFAOYSA-N 0 0 453.262 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](c3ccccn3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436044926 1065139954 /nfs/dbraw/zinc/13/99/54/1065139954.db2.gz CFRYPARWQPOEDX-TYPHKJRUSA-N 0 0 455.986 4.702 20 0 JJADRN CC(C)Oc1cc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)ccc1Br ZINC001360305727 1065141316 /nfs/dbraw/zinc/14/13/16/1065141316.db2.gz CRKLVCWCSAKHBR-UHFFFAOYSA-N 0 0 459.384 4.896 20 0 JJADRN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001436047572 1065141949 /nfs/dbraw/zinc/14/19/49/1065141949.db2.gz FFITYACIUFEXEL-SFHVURJKSA-N 0 0 452.448 4.781 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001360307229 1065142697 /nfs/dbraw/zinc/14/26/97/1065142697.db2.gz MTFFJTBNGUMCIY-UHFFFAOYSA-N 0 0 454.552 4.866 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2cc(C)n(-c3ccccc3Br)n2)cc1OC ZINC001360308588 1065143815 /nfs/dbraw/zinc/14/38/15/1065143815.db2.gz OPNUYHDIXPNBOQ-HNNXBMFYSA-N 0 0 458.356 4.760 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001436051720 1065145147 /nfs/dbraw/zinc/14/51/47/1065145147.db2.gz LAUYGTMCARQIFV-HSZRJFAPSA-N 0 0 450.551 4.804 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001436052452 1065146027 /nfs/dbraw/zinc/14/60/27/1065146027.db2.gz FCLAIVLDHKWPPV-UHFFFAOYSA-N 0 0 453.742 4.942 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1nc(C(F)(F)F)cs1 ZINC001436052816 1065146579 /nfs/dbraw/zinc/14/65/79/1065146579.db2.gz ALQPFRJUDAODCV-RKDXNWHRSA-N 0 0 454.255 4.747 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c(Cl)c1 ZINC001436052826 1065146602 /nfs/dbraw/zinc/14/66/02/1065146602.db2.gz ASSJUENEIAPDTR-KRWDZBQOSA-N 0 0 451.792 4.965 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)cs3)s2)cc1 ZINC001436053582 1065147515 /nfs/dbraw/zinc/14/75/15/1065147515.db2.gz GCXXLWNQOKYZKI-JTQLQIEISA-N 0 0 455.483 4.975 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC001436054506 1065148032 /nfs/dbraw/zinc/14/80/32/1065148032.db2.gz SVGAFEGNBUSYFE-UHFFFAOYSA-N 0 0 453.951 4.702 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc2ccc(Br)cc2s1 ZINC001436055229 1065148083 /nfs/dbraw/zinc/14/80/83/1065148083.db2.gz FKLMIFRNXMEQMO-KRWDZBQOSA-N 0 0 459.365 4.834 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cnn1-c1cccc(Cl)c1 ZINC001436054574 1065148114 /nfs/dbraw/zinc/14/81/14/1065148114.db2.gz INKFIVFUJSHEOS-QGZVFWFLSA-N 0 0 459.775 4.605 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1 ZINC001360311644 1065148361 /nfs/dbraw/zinc/14/83/61/1065148361.db2.gz YROMMFQIKQVGJN-UHFFFAOYSA-N 0 0 452.507 4.999 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC001436057726 1065149934 /nfs/dbraw/zinc/14/99/34/1065149934.db2.gz YPRXNEYKTZEENP-UHFFFAOYSA-N 0 0 457.248 4.513 20 0 JJADRN CC(C)(C)Nc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001436056995 1065149962 /nfs/dbraw/zinc/14/99/62/1065149962.db2.gz QNOPVQDGNIESJQ-UHFFFAOYSA-N 0 0 450.004 4.977 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001360317114 1065150563 /nfs/dbraw/zinc/15/05/63/1065150563.db2.gz IEATYOHFXGNOAX-IBGZPJMESA-N 0 0 452.860 4.773 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)cc1Cl ZINC001436059369 1065151215 /nfs/dbraw/zinc/15/12/15/1065151215.db2.gz RBGWCSSNZLNVOK-UHFFFAOYSA-N 0 0 459.974 4.970 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)nn1-c1ccc(Cl)cc1Cl ZINC001360317834 1065151275 /nfs/dbraw/zinc/15/12/75/1065151275.db2.gz IQRBVZAMNFEVKR-UHFFFAOYSA-N 0 0 452.363 4.593 20 0 JJADRN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(Br)ccc1F ZINC001360318128 1065152099 /nfs/dbraw/zinc/15/20/99/1065152099.db2.gz IHMFSYLBXQBHMF-UHFFFAOYSA-N 0 0 453.052 4.882 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC001436060231 1065152073 /nfs/dbraw/zinc/15/20/73/1065152073.db2.gz IXGGVWUIIBNYIB-VZPUWSDOSA-N 0 0 450.362 4.910 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H]2CSCCS2)CCOC1 ZINC001360319459 1065153562 /nfs/dbraw/zinc/15/35/62/1065153562.db2.gz IHOJXZRUGDELTJ-HCLVMJGWSA-N 0 0 480.675 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H]2CCSC2(C)C)CCOC1 ZINC001360319663 1065154070 /nfs/dbraw/zinc/15/40/70/1065154070.db2.gz LMAYUDPFUXDFGT-RQBNJVACSA-N 0 0 474.671 4.753 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC001436065315 1065155848 /nfs/dbraw/zinc/15/58/48/1065155848.db2.gz MGANSHWOWHMHOB-UHFFFAOYSA-N 0 0 450.882 4.917 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC001436067711 1065157421 /nfs/dbraw/zinc/15/74/21/1065157421.db2.gz AXLQJSXCJQWTPC-UHFFFAOYSA-N 0 0 454.297 4.665 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2cccc(C(F)F)c2)CCOC1 ZINC001360321011 1065157879 /nfs/dbraw/zinc/15/78/79/1065157879.db2.gz IRPJLIWFKJCOSE-DEOSSOPVSA-N 0 0 491.970 4.989 20 0 JJADRN Cc1ccc(F)c(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)c1Br ZINC001436068945 1065157997 /nfs/dbraw/zinc/15/79/97/1065157997.db2.gz CHCSSOXLFSSHRL-UHFFFAOYSA-N 0 0 455.132 4.859 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436068951 1065158050 /nfs/dbraw/zinc/15/80/50/1065158050.db2.gz CPRSQULZPNVNNA-AOMKIAJQSA-N 0 0 459.514 4.970 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(F)(F)F)n2[C@H]2C[C@H](c3ccccc3F)C2)CCOC1 ZINC001360321024 1065158650 /nfs/dbraw/zinc/15/86/50/1065158650.db2.gz IVAYLXOPAGFVRK-WHSLLNHNSA-N 0 0 456.484 4.575 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc4ccccc4o3)n2CC(F)(F)Br)CCOC1 ZINC001360321318 1065158706 /nfs/dbraw/zinc/15/87/06/1065158706.db2.gz KUBHPBXVFQKJBD-FQEVSTJZSA-N 0 0 499.356 4.689 20 0 JJADRN CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H](C)C(=O)OCC ZINC001436070761 1065158869 /nfs/dbraw/zinc/15/88/69/1065158869.db2.gz RBWQPWNYWZASPM-GOSISDBHSA-N 0 0 453.970 4.925 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2C[C@H]2SCCc3ccccc32)CCOC1 ZINC001360321722 1065159338 /nfs/dbraw/zinc/15/93/38/1065159338.db2.gz NOYGGCJMBJHKTF-PXDATVDWSA-N 0 0 458.672 4.832 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CSc2ccc3c4c(cccc42)CC3)[C@H](C)S(C)(=O)=O)cc1 ZINC001436071033 1065159534 /nfs/dbraw/zinc/15/95/34/1065159534.db2.gz WHEVBKGPSSKLRV-GKVSMKOHSA-N 0 0 453.629 4.630 20 0 JJADRN COc1ccc(C2(C(=O)NCc3ccc(Cl)cc3I)CCC2)cc1 ZINC001436071223 1065160141 /nfs/dbraw/zinc/16/01/41/1065160141.db2.gz YCGRTQHVUMCQOG-UHFFFAOYSA-N 0 0 455.723 4.691 20 0 JJADRN CC(C)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)on1 ZINC001360323263 1065160823 /nfs/dbraw/zinc/16/08/23/1065160823.db2.gz ZJOKYEDFMJETKD-UHFFFAOYSA-N 0 0 458.301 4.835 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC001436073074 1065161742 /nfs/dbraw/zinc/16/17/42/1065161742.db2.gz BBCQHRLXKKMTAU-FQEVSTJZSA-N 0 0 450.398 4.701 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CCCc1ccc(Br)cc1 ZINC001436072668 1065161801 /nfs/dbraw/zinc/16/18/01/1065161801.db2.gz TYUGVPFVAUDCHL-LJQANCHMSA-N 0 0 452.776 4.716 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)cc3)n2C[C@@H](c2cccnc2)C(C)C)CCOC1 ZINC001360324099 1065162304 /nfs/dbraw/zinc/16/23/04/1065162304.db2.gz LXSVRDRIVYBCOP-SHQCIBLASA-N 0 0 481.616 4.929 20 0 JJADRN Cc1nc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)sc1Cc1c(F)cccc1F ZINC001436073963 1065162377 /nfs/dbraw/zinc/16/23/77/1065162377.db2.gz QQFWMVQINAZQDN-UHFFFAOYSA-N 0 0 456.923 4.630 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@H]2CCO[C@H](C)C2)CCOC1 ZINC001360324632 1065164227 /nfs/dbraw/zinc/16/42/27/1065164227.db2.gz QQLQFVZMISQIOE-LJFZDNNRSA-N 0 0 496.574 4.789 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001436075943 1065164482 /nfs/dbraw/zinc/16/44/82/1065164482.db2.gz QLOAQNUMKBZBDO-CYBMUJFWSA-N 0 0 453.316 4.863 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)cc1OC ZINC001360324712 1065164860 /nfs/dbraw/zinc/16/48/60/1065164860.db2.gz ZKAJBFOBPPMQCJ-LJQANCHMSA-N 0 0 455.595 4.918 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Br ZINC001436076697 1065165065 /nfs/dbraw/zinc/16/50/65/1065165065.db2.gz LSRKJKYCAIVBGR-RBBKRZOGSA-N 0 0 455.396 4.973 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2nc(C(C)C)cs2)CCOC1 ZINC001360324924 1065165716 /nfs/dbraw/zinc/16/57/16/1065165716.db2.gz VBLWHPJGOGFSAR-XMMPIXPASA-N 0 0 491.608 4.862 20 0 JJADRN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001436078340 1065165987 /nfs/dbraw/zinc/16/59/87/1065165987.db2.gz PIVILOZQBBVBOF-NRFANRHFSA-N 0 0 455.327 4.776 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccco3)n2C[C@H](C)Sc2ccccc2)CCOC1 ZINC001360325073 1065166219 /nfs/dbraw/zinc/16/62/19/1065166219.db2.gz XRSFSZKWUHFRKQ-CYFREDJKSA-N 0 0 456.612 4.729 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2Cc2cccs2)CCOC1 ZINC001360325098 1065166278 /nfs/dbraw/zinc/16/62/78/1065166278.db2.gz YFFYRZOZANWECU-QFIPXVFZSA-N 0 0 464.994 4.857 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H]2CC=CCC2)CCOC1 ZINC001360325320 1065166929 /nfs/dbraw/zinc/16/69/29/1065166929.db2.gz CCIFIPMHKGJMLF-IERDGZPVSA-N 0 0 485.576 4.787 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)c2ccccc2F)CCOC1 ZINC001360325424 1065166958 /nfs/dbraw/zinc/16/69/58/1065166958.db2.gz FGVHCYGXUAYVBP-XMMPIXPASA-N 0 0 473.618 4.529 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360326276 1065168680 /nfs/dbraw/zinc/16/86/80/1065168680.db2.gz VRXYULLKNYEAQG-DFBJGRDBSA-N 0 0 460.594 4.552 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001360326767 1065169354 /nfs/dbraw/zinc/16/93/54/1065169354.db2.gz JHBLDTHMVZPMMD-CYBMUJFWSA-N 0 0 451.445 4.698 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001436083766 1065169605 /nfs/dbraw/zinc/16/96/05/1065169605.db2.gz WECNSDBMSWMOAV-WBMJQRKESA-N 0 0 453.789 4.505 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001436084243 1065169632 /nfs/dbraw/zinc/16/96/32/1065169632.db2.gz VCAHBHGUJQZLGZ-UHFFFAOYSA-N 0 0 453.413 4.556 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001436083765 1065169647 /nfs/dbraw/zinc/16/96/47/1065169647.db2.gz WECNSDBMSWMOAV-MLGOLLRUSA-N 0 0 453.789 4.505 20 0 JJADRN O=C(CCSc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001436083939 1065169657 /nfs/dbraw/zinc/16/96/57/1065169657.db2.gz ZITWFFXRGRXWEA-KRWDZBQOSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001436083934 1065169676 /nfs/dbraw/zinc/16/96/76/1065169676.db2.gz ZBMABHGHZCVHLJ-FQEVSTJZSA-N 0 0 459.384 4.537 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001436084453 1065170189 /nfs/dbraw/zinc/17/01/89/1065170189.db2.gz ZKELKQRTKBXQOT-KRWDZBQOSA-N 0 0 451.485 4.985 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)c2cc(C)c(Cl)cc2I)c1C ZINC001436084510 1065170254 /nfs/dbraw/zinc/17/02/54/1065170254.db2.gz ATLJKKHVRGYKCT-UHFFFAOYSA-N 0 0 458.683 4.992 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCN(C)c3ccccc3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360328149 1065170603 /nfs/dbraw/zinc/17/06/03/1065170603.db2.gz AHLOAKPUYKVWMA-XMMPIXPASA-N 0 0 490.073 4.655 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360328320 1065170684 /nfs/dbraw/zinc/17/06/84/1065170684.db2.gz DDPFBNVBWFLSOE-TXTKFYIRSA-N 0 0 470.605 4.540 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCCc3ccccc3)n2C[C@H]2CCCSC2)CCOC1 ZINC001360328214 1065170695 /nfs/dbraw/zinc/17/06/95/1065170695.db2.gz BMMXFYLELMDSNF-RDGATRHJSA-N 0 0 458.672 4.531 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001436085888 1065170808 /nfs/dbraw/zinc/17/08/08/1065170808.db2.gz JAJOKQNKUCNZEE-JCKWVBRZSA-N 0 0 454.851 4.519 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)C1 ZINC001436085724 1065170845 /nfs/dbraw/zinc/17/08/45/1065170845.db2.gz AHTLVKPCQJDBFF-GGHZGINBSA-N 0 0 450.579 4.516 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCO[C@H]2c2ccccc2)CCOC1 ZINC001360329000 1065171806 /nfs/dbraw/zinc/17/18/06/1065171806.db2.gz PSAJREDBLSNGCQ-AWRGLXIESA-N 0 0 496.574 4.875 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)CCOC1 ZINC001360329002 1065171882 /nfs/dbraw/zinc/17/18/82/1065171882.db2.gz PSAJREDBLSNGCQ-YZUZCNPQSA-N 0 0 496.574 4.875 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)nc1Cl ZINC001436088117 1065172099 /nfs/dbraw/zinc/17/20/99/1065172099.db2.gz MALIPOIJJQFYAD-HNNXBMFYSA-N 0 0 453.764 4.636 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)nc1Cl ZINC001436088119 1065172221 /nfs/dbraw/zinc/17/22/21/1065172221.db2.gz MALIPOIJJQFYAD-OAHLLOKOSA-N 0 0 453.764 4.636 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(-c3nc[nH]n3)cc2F)nnc1-c1ccccc1 ZINC001436089525 1065172831 /nfs/dbraw/zinc/17/28/31/1065172831.db2.gz OGISYHOGVPYDFR-CQSZACIVSA-N 0 0 451.531 4.571 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCC2CCOCC2)CCOC1 ZINC001360329733 1065173073 /nfs/dbraw/zinc/17/30/73/1065173073.db2.gz CJRZBQZNBOYGGB-SANMLTNESA-N 0 0 474.621 4.690 20 0 JJADRN Cn1nccc1[C@@H]1CCCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001436090012 1065173328 /nfs/dbraw/zinc/17/33/28/1065173328.db2.gz HQFDSHRGWUUDQC-HNNXBMFYSA-N 0 0 451.415 4.664 20 0 JJADRN 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ZINC001360331708 1065176866 /nfs/dbraw/zinc/17/68/66/1065176866.db2.gz YSWVMORSLZXWEZ-PDFGSZSQSA-N 0 0 476.687 4.999 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC001436095477 1065176907 /nfs/dbraw/zinc/17/69/07/1065176907.db2.gz QIXFZBUMKGHTFJ-IAGOWNOFSA-N 0 0 454.368 4.502 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC001436095479 1065177085 /nfs/dbraw/zinc/17/70/85/1065177085.db2.gz QIXFZBUMKGHTFJ-SJORKVTESA-N 0 0 454.368 4.502 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1 ZINC001360332509 1065177643 /nfs/dbraw/zinc/17/76/43/1065177643.db2.gz YVMBLUQCXONBLF-HKBQPEDESA-N 0 0 456.633 4.925 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)c1 ZINC001360332213 1065177724 /nfs/dbraw/zinc/17/77/24/1065177724.db2.gz OMLOIBFKJCMNOI-SSEXGKCCSA-N 0 0 450.988 4.594 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1C ZINC001436096353 1065177753 /nfs/dbraw/zinc/17/77/53/1065177753.db2.gz 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CC(C)O[C@@]1(c2nnc(N3CCN(c4cc(F)ccc4F)CC3)n2CCCC(C)(C)C)CCOC1 ZINC001360347939 1065195716 /nfs/dbraw/zinc/19/57/16/1065195716.db2.gz PTLGGRMODNMLKT-SANMLTNESA-N 0 0 491.627 4.750 20 0 JJADRN Cc1cc2sc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)OC(C)(C)C)C3)nc2cc1F ZINC001436122712 1065196411 /nfs/dbraw/zinc/19/64/11/1065196411.db2.gz CDYBOAKIDYQDAO-GOSISDBHSA-N 0 0 454.527 4.659 20 0 JJADRN COc1ccc(CCC(=O)OCc2ccn(-c3ccc(F)cc3F)n2)c(Br)c1 ZINC001436122858 1065196984 /nfs/dbraw/zinc/19/69/84/1065196984.db2.gz BPBKCNYAKFYKRZ-UHFFFAOYSA-N 0 0 451.267 4.598 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1=O ZINC001436122855 1065197154 /nfs/dbraw/zinc/19/71/54/1065197154.db2.gz BLTNEMMBZHJUFK-HZPDHXFCSA-N 0 0 452.505 4.870 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360350117 1065197037 /nfs/dbraw/zinc/19/70/37/1065197037.db2.gz PLJHWWMBCBYAGB-OFNKIYASSA-N 0 0 483.053 4.737 20 0 JJADRN 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CC(C)Oc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)cn1 ZINC001360354150 1065201664 /nfs/dbraw/zinc/20/16/64/1065201664.db2.gz GAZUPDFZJAVLEG-ICSRJNTNSA-N 0 0 486.016 4.775 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CC2CC2)cn1 ZINC001360354087 1065201773 /nfs/dbraw/zinc/20/17/73/1065201773.db2.gz DBGCVVBRHRBXSH-UHFFFAOYSA-N 0 0 456.388 4.784 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H]2C(C)C)cn1 ZINC001360354056 1065201782 /nfs/dbraw/zinc/20/17/82/1065201782.db2.gz CDNYSRSVKUADIO-LJQANCHMSA-N 0 0 473.419 4.891 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)cc2)C1 ZINC001436128446 1065201953 /nfs/dbraw/zinc/20/19/53/1065201953.db2.gz JUUVWXDVMSENGK-OXHIVJRSSA-N 0 0 458.599 4.558 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccccc1[S@@](=O)C(F)(F)F ZINC001436128877 1065202016 /nfs/dbraw/zinc/20/20/16/1065202016.db2.gz QTTQAIOJILFAPQ-XELLLNAOSA-N 0 0 450.301 4.653 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001360354209 1065202152 /nfs/dbraw/zinc/20/21/52/1065202152.db2.gz HWRLRMJDWALNAK-HNNXBMFYSA-N 0 0 499.040 4.744 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N[C@H]2CSc3ccc(Br)cc32)n1 ZINC001436129088 1065202696 /nfs/dbraw/zinc/20/26/96/1065202696.db2.gz RZEHLQHJVQIMCC-LBPRGKRZSA-N 0 0 459.207 4.740 20 0 JJADRN COC(=O)[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)c2ccccc21 ZINC001436130078 1065203085 /nfs/dbraw/zinc/20/30/85/1065203085.db2.gz XIAPZDPFOWSMBO-SFHVURJKSA-N 0 0 453.292 4.553 20 0 JJADRN CCCC[C@](C)(NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(Br)c1 ZINC001436130453 1065203196 /nfs/dbraw/zinc/20/31/96/1065203196.db2.gz PCZNPMVEWHYFJV-QHCPKHFHSA-N 0 0 459.384 4.786 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC001436131303 1065203684 /nfs/dbraw/zinc/20/36/84/1065203684.db2.gz SWRSUSNOXONFFD-JTQLQIEISA-N 0 0 457.683 4.604 20 0 JJADRN CCc1noc(C)c1C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001436131168 1065203746 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4.757 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccc(Cl)cc2)cn1 ZINC001360355710 1065205220 /nfs/dbraw/zinc/20/52/20/1065205220.db2.gz DEYOLZDNFJJCGD-UHFFFAOYSA-N 0 0 450.974 4.836 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N(CCC(F)(F)F)CC(F)(F)F ZINC001436133206 1065205389 /nfs/dbraw/zinc/20/53/89/1065205389.db2.gz FUKJFSMZGJEUBY-UHFFFAOYSA-N 0 0 457.994 4.564 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)cn1 ZINC001360355989 1065205860 /nfs/dbraw/zinc/20/58/60/1065205860.db2.gz LHZNEEKGEAKJHK-UHFFFAOYSA-N 0 0 493.409 4.970 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 ZINC001436134589 1065206261 /nfs/dbraw/zinc/20/62/61/1065206261.db2.gz KFJMMHBKCDBHLP-SFHVURJKSA-N 0 0 455.961 4.921 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1 ZINC001436135277 1065206433 /nfs/dbraw/zinc/20/64/33/1065206433.db2.gz MBDQXYBKLMBADI-UHFFFAOYSA-N 0 0 454.452 4.642 20 0 JJADRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001436135947 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JJADRN CC(C)Oc1ccc(Cn2c(CC3CCCC3)nnc2N(C)C[C@H](C)c2nccs2)cn1 ZINC001360357205 1065208347 /nfs/dbraw/zinc/20/83/47/1065208347.db2.gz FBXIFZCFXKGNJC-SFHVURJKSA-N 0 0 454.644 4.938 20 0 JJADRN Cn1c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1-c1ccc(F)cc1 ZINC001436137461 1065208640 /nfs/dbraw/zinc/20/86/40/1065208640.db2.gz ILMBCQPAPHESNG-UHFFFAOYSA-N 0 0 455.287 4.574 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001360357659 1065208733 /nfs/dbraw/zinc/20/87/33/1065208733.db2.gz VSIDGWWDVBLRMX-BXKMTCNYSA-N 0 0 459.612 4.630 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C)[C@@H]2C)cn1 ZINC001360357576 1065208761 /nfs/dbraw/zinc/20/87/61/1065208761.db2.gz LDCIPLFTVIYIJJ-ZWKOTPCHSA-N 0 0 471.602 4.557 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccn2)CC1 ZINC001360357816 1065209277 /nfs/dbraw/zinc/20/92/77/1065209277.db2.gz YQYYFWKJBLKYRM-WQXGYOKLSA-N 0 0 455.986 4.528 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccn2)CC1 ZINC001360357815 1065209377 /nfs/dbraw/zinc/20/93/77/1065209377.db2.gz YQYYFWKJBLKYRM-PPPNYFNCSA-N 0 0 455.986 4.528 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)cnn1-c1cccc(Cl)c1 ZINC001436139176 1065209731 /nfs/dbraw/zinc/20/97/31/1065209731.db2.gz STTPFJWZBZSMDD-OAHLLOKOSA-N 0 0 454.983 4.802 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC3CC3)nnc2N(C)Cc2cc(Br)cs2)cn1 ZINC001360357878 1065209753 /nfs/dbraw/zinc/20/97/53/1065209753.db2.gz OZIQJGTWZZXJBN-UHFFFAOYSA-N 0 0 476.444 4.922 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)cn1 ZINC001360357952 1065209813 /nfs/dbraw/zinc/20/98/13/1065209813.db2.gz RXLSKGBPVDNKCK-UHFFFAOYSA-N 0 0 496.700 4.716 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCN(c4nccc(C(C)C)n4)CC3)nnc2C(C)(C)C)cc1 ZINC001360358093 1065209871 /nfs/dbraw/zinc/20/98/71/1065209871.db2.gz XHXPBFNSSJBQNC-UHFFFAOYSA-N 0 0 477.657 4.651 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC([C@@](C)(O)C(F)(F)F)CC3)nnc2C(C)(C)C)cc1 ZINC001360358120 1065209962 /nfs/dbraw/zinc/20/99/62/1065209962.db2.gz XVYWYDCDLZCYBV-HSZRJFAPSA-N 0 0 468.564 4.941 20 0 JJADRN CC(C)C[C@@](C)(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001436139653 1065210324 /nfs/dbraw/zinc/21/03/24/1065210324.db2.gz ZTBBKVGRLUNPGN-YADARESESA-N 0 0 457.412 4.875 20 0 JJADRN CCC(CC)N(C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1cccc(C)c1 ZINC001436140678 1065210779 /nfs/dbraw/zinc/21/07/79/1065210779.db2.gz KLOWLKDHKBMNGJ-OAHLLOKOSA-N 0 0 457.368 4.964 20 0 JJADRN CCC(CC)N(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1cccc(C)c1 ZINC001436140992 1065210894 /nfs/dbraw/zinc/21/08/94/1065210894.db2.gz MXYNLUDNRUCNIU-UHFFFAOYSA-N 0 0 458.624 4.626 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)COc2cccc(I)c2)cs1 ZINC001436141238 1065211490 /nfs/dbraw/zinc/21/14/90/1065211490.db2.gz OEEPLHBOQVHVDV-UHFFFAOYSA-N 0 0 450.301 4.741 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2CC(F)(F)Br)c1 ZINC001360359326 1065211593 /nfs/dbraw/zinc/21/15/93/1065211593.db2.gz ALWWBZXWCGRFOC-UHFFFAOYSA-N 0 0 480.357 4.675 20 0 JJADRN COC(=O)c1ccccc1CC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 ZINC001436144172 1065211897 /nfs/dbraw/zinc/21/18/97/1065211897.db2.gz NBOKJHMWRIYXHA-UHFFFAOYSA-N 0 0 455.308 4.913 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)OCc2ccc(C(C)(C)C)cn2)nnc1-c1ccccc1 ZINC001436144412 1065212497 /nfs/dbraw/zinc/21/24/97/1065212497.db2.gz NWVQFFFGGVUPNQ-QGZVFWFLSA-N 0 0 454.596 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC001436145371 1065212524 /nfs/dbraw/zinc/21/25/24/1065212524.db2.gz KNAWIPYWKKZPRS-YUNKPMOVSA-N 0 0 479.400 4.553 20 0 JJADRN COC(=O)c1nccc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)n1 ZINC001436144854 1065212578 /nfs/dbraw/zinc/21/25/78/1065212578.db2.gz LZYMZPFMEDFVPC-UHFFFAOYSA-N 0 0 451.401 4.825 20 0 JJADRN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1Oc1ncccc1Br ZINC001436145426 1065213139 /nfs/dbraw/zinc/21/31/39/1065213139.db2.gz SWBWTHAWQZHUOH-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN Cc1nn(CC(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)c2ncccc12 ZINC001436145635 1065213206 /nfs/dbraw/zinc/21/32/06/1065213206.db2.gz UFDWOHBKALIWEZ-UHFFFAOYSA-N 0 0 452.312 4.637 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cccnc3)n2CCC(=O)NC2CCCCC2)c1 ZINC001360360173 1065213308 /nfs/dbraw/zinc/21/33/08/1065213308.db2.gz PRCZCNJUHQRLEO-UHFFFAOYSA-N 0 0 476.625 4.603 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(=O)N(C)C)c2)cc1Oc1ncccc1Br ZINC001436146607 1065213674 /nfs/dbraw/zinc/21/36/74/1065213674.db2.gz YKYQQJRHZUSJQN-UHFFFAOYSA-N 0 0 454.324 4.899 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)cc(Br)c2)cc(-n2cccn2)c1 ZINC001436148876 1065214498 /nfs/dbraw/zinc/21/44/98/1065214498.db2.gz LPGFZOFTGDQYGI-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC001360360666 1065214468 /nfs/dbraw/zinc/21/44/68/1065214468.db2.gz YHKRSOJLILNBMS-HRAATJIYSA-N 0 0 457.525 4.836 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C(C)C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001360361156 1065214927 /nfs/dbraw/zinc/21/49/27/1065214927.db2.gz GYIRGXJUZBPANN-HSZRJFAPSA-N 0 0 456.631 4.792 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1I ZINC001436149744 1065215553 /nfs/dbraw/zinc/21/55/53/1065215553.db2.gz WOEGGPFXPOYNSC-KRWDZBQOSA-N 0 0 459.759 4.928 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1 ZINC001436150342 1065215658 /nfs/dbraw/zinc/21/56/58/1065215658.db2.gz WPMJXWPJNFXMLT-UHFFFAOYSA-N 0 0 458.031 4.629 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001360361406 1065215694 /nfs/dbraw/zinc/21/56/94/1065215694.db2.gz OIUSSSRIRVRISO-UHFFFAOYSA-N 0 0 467.658 4.856 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC=CCO2)CC1 ZINC001360361868 1065216659 /nfs/dbraw/zinc/21/66/59/1065216659.db2.gz CHLZSGSIVPSLHP-AVRDEDQJSA-N 0 0 461.006 4.810 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001360361871 1065216730 /nfs/dbraw/zinc/21/67/30/1065216730.db2.gz CHLZSGSIVPSLHP-XMSQKQJNSA-N 0 0 461.006 4.810 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCCc2ccc(Br)s2)n1 ZINC001436152126 1065216666 /nfs/dbraw/zinc/21/66/66/1065216666.db2.gz HQEJKSLNMVMPBE-CQSZACIVSA-N 0 0 457.415 4.830 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001436153133 1065217854 /nfs/dbraw/zinc/21/78/54/1065217854.db2.gz DJSFFEJQPKTGBI-XHDPSFHLSA-N 0 0 456.237 4.629 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)NCc1ccnc(Oc2ccccc2F)c1 ZINC001436153987 1065218297 /nfs/dbraw/zinc/21/82/97/1065218297.db2.gz ZAKMZYCRZXASPX-UHFFFAOYSA-N 0 0 459.315 4.651 20 0 JJADRN Cc1noc(C)c1[C@H](C)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001436154166 1065218352 /nfs/dbraw/zinc/21/83/52/1065218352.db2.gz CGNSFYMYARHFFE-LBPRGKRZSA-N 0 0 459.344 4.614 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001360362770 1065218387 /nfs/dbraw/zinc/21/83/87/1065218387.db2.gz WRTVAMKPZFTWJW-UHFFFAOYSA-N 0 0 467.658 4.640 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 ZINC001436155080 1065218627 /nfs/dbraw/zinc/21/86/27/1065218627.db2.gz PHOKAZRLZITAMK-HIFRSBDPSA-N 0 0 452.370 4.573 20 0 JJADRN Cn1cc([C@H]2CSCCN2C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cn1 ZINC001436155656 1065218814 /nfs/dbraw/zinc/21/88/14/1065218814.db2.gz RTWKHRGHSFNJOM-MRXNPFEDSA-N 0 0 453.420 4.710 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2cc(Br)ccc2F)n1 ZINC001436155694 1065219407 /nfs/dbraw/zinc/21/94/07/1065219407.db2.gz YPOVLSBUNKNQEC-MRXNPFEDSA-N 0 0 455.349 4.518 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001360363752 1065219823 /nfs/dbraw/zinc/21/98/23/1065219823.db2.gz DABRALPGAODYHT-HSZRJFAPSA-N 0 0 461.031 4.962 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)cnn1Cc1ccccc1 ZINC001436156556 1065219889 /nfs/dbraw/zinc/21/98/89/1065219889.db2.gz ULQDFWBACIPPHQ-UHFFFAOYSA-N 0 0 456.340 4.604 20 0 JJADRN C/C(=C\c1ccccn1)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001436157396 1065219940 /nfs/dbraw/zinc/21/99/40/1065219940.db2.gz QOFVUWCHDAKMBJ-CCEZHUSRSA-N 0 0 453.340 4.704 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccn3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360363986 1065220356 /nfs/dbraw/zinc/22/03/56/1065220356.db2.gz IRCNNGAGOFCMDX-OAQYLSRUSA-N 0 0 498.672 4.914 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)CC1 ZINC001360363907 1065220369 /nfs/dbraw/zinc/22/03/69/1065220369.db2.gz FWHWERQCAWIXDB-UHFFFAOYSA-N 0 0 483.476 4.980 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001360364103 1065220485 /nfs/dbraw/zinc/22/04/85/1065220485.db2.gz JJCFZNYXRBCLGB-HXUWFJFHSA-N 0 0 471.465 4.570 20 0 JJADRN O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001436158554 1065220935 /nfs/dbraw/zinc/22/09/35/1065220935.db2.gz ONNSAVMUVLCDQY-GFCCVEGCSA-N 0 0 454.253 4.541 20 0 JJADRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001436159224 1065221117 /nfs/dbraw/zinc/22/11/17/1065221117.db2.gz ZGCIZRXBNGEPSU-UHFFFAOYSA-N 0 0 451.734 4.823 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360364181 1065221155 /nfs/dbraw/zinc/22/11/55/1065221155.db2.gz KORAEMGGPQYXDI-GOSISDBHSA-N 0 0 455.990 4.855 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cc4ccccc4nc3Br)CCC2=O)c1 ZINC001436159342 1065221518 /nfs/dbraw/zinc/22/15/18/1065221518.db2.gz TUPWXBBYBJFNQD-UHFFFAOYSA-N 0 0 451.324 4.736 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1 ZINC001436159857 1065221552 /nfs/dbraw/zinc/22/15/52/1065221552.db2.gz JVLLFIAOPGXZIM-UHFFFAOYSA-N 0 0 452.576 4.571 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001436159433 1065221605 /nfs/dbraw/zinc/22/16/05/1065221605.db2.gz XUPYUMIUUIUJBH-UHFFFAOYSA-N 0 0 451.331 4.525 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001360364581 1065222163 /nfs/dbraw/zinc/22/21/63/1065222163.db2.gz QFWBMFMRHZDKRT-UHFFFAOYSA-N 0 0 476.000 4.526 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001436161956 1065222549 /nfs/dbraw/zinc/22/25/49/1065222549.db2.gz SUCHQJRBTUKKEO-PBFPGSCMSA-N 0 0 457.279 4.826 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001360365003 1065222686 /nfs/dbraw/zinc/22/26/86/1065222686.db2.gz WVOCQHBRPAZUNM-DLBZAZTESA-N 0 0 495.437 4.913 20 0 JJADRN C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360365179 1065223196 /nfs/dbraw/zinc/22/31/96/1065223196.db2.gz RYWKCMDAWIXYCL-QGZVFWFLSA-N 0 0 459.937 4.723 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001436164373 1065223723 /nfs/dbraw/zinc/22/37/23/1065223723.db2.gz ANDKTSLHVJJFQY-VFVRVIDISA-N 0 0 459.812 4.795 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1Br ZINC001436164346 1065223738 /nfs/dbraw/zinc/22/37/38/1065223738.db2.gz IPBFCYSTKLFJHD-UHFFFAOYSA-N 0 0 459.365 4.619 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC001436164147 1065223867 /nfs/dbraw/zinc/22/38/67/1065223867.db2.gz JTBMHFMJXJSQHD-UHFFFAOYSA-N 0 0 456.878 4.942 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001360365662 1065223886 /nfs/dbraw/zinc/22/38/86/1065223886.db2.gz YYMZMNUCPRCETC-HSZRJFAPSA-N 0 0 470.658 4.929 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC001360366294 1065224554 /nfs/dbraw/zinc/22/45/54/1065224554.db2.gz RJJRIADDIQMIPR-LGVFNWMJSA-N 0 0 454.636 4.509 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC001436166074 1065224972 /nfs/dbraw/zinc/22/49/72/1065224972.db2.gz QHMQZWBQQAHMOI-RBUKOAKNSA-N 0 0 451.405 4.881 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccncc3)n2CCSCc2ccccc2)CC1 ZINC001360366438 1065225047 /nfs/dbraw/zinc/22/50/47/1065225047.db2.gz BRJNKSJCAITYKY-UHFFFAOYSA-N 0 0 451.640 4.591 20 0 JJADRN CC(C)OC1CCN(c2nnc(CCc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360366709 1065225086 /nfs/dbraw/zinc/22/50/86/1065225086.db2.gz GONWVGDHTKKWJF-UHFFFAOYSA-N 0 0 479.572 4.981 20 0 JJADRN CCSc1ccc(CC(=O)N2CCCN(c3ccccc3F)CC2)c(Br)c1 ZINC001436166883 1065225219 /nfs/dbraw/zinc/22/52/19/1065225219.db2.gz SZNVVIYLWIVRCN-UHFFFAOYSA-N 0 0 451.405 4.982 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(SCC)cc1Br ZINC001436166320 1065225236 /nfs/dbraw/zinc/22/52/36/1065225236.db2.gz IAFHRGDUGHEKDR-MRXNPFEDSA-N 0 0 457.434 4.621 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(C(C)C)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC001360366891 1065225602 /nfs/dbraw/zinc/22/56/02/1065225602.db2.gz BAYBWHDQEYJFPY-JOCHJYFZSA-N 0 0 487.645 4.621 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)CCCOC1 ZINC001436167444 1065225911 /nfs/dbraw/zinc/22/59/11/1065225911.db2.gz MHJGMEWLAZFMEA-OAQYLSRUSA-N 0 0 451.976 4.724 20 0 JJADRN CC(C)OC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)CC1 ZINC001360367068 1065226043 /nfs/dbraw/zinc/22/60/43/1065226043.db2.gz CMKJSXYCINLOPF-UHFFFAOYSA-N 0 0 480.657 4.525 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001436168882 1065226385 /nfs/dbraw/zinc/22/63/85/1065226385.db2.gz QYMOXKZFZGEDSX-LJQANCHMSA-N 0 0 452.514 4.941 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC001436167787 1065226411 /nfs/dbraw/zinc/22/64/11/1065226411.db2.gz YNCOBNMHUPCJJN-JNXKDUNISA-N 0 0 465.343 4.571 20 0 JJADRN CC(C)OC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001360367508 1065226727 /nfs/dbraw/zinc/22/67/27/1065226727.db2.gz IPCDISZTIRZPBX-DEOSSOPVSA-N 0 0 468.642 4.894 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]3C)c2c1 ZINC001436169557 1065226954 /nfs/dbraw/zinc/22/69/54/1065226954.db2.gz MYQNGEXQMBAAKM-NXHTTZLHSA-N 0 0 453.583 4.885 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)CCO1 ZINC001360367761 1065227156 /nfs/dbraw/zinc/22/71/56/1065227156.db2.gz LECCVEYATYCJCK-QFIPXVFZSA-N 0 0 483.588 4.581 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360367952 1065227237 /nfs/dbraw/zinc/22/72/37/1065227237.db2.gz PKWFEVHEQQWYBS-JSXRDJHFSA-N 0 0 475.678 4.879 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360367955 1065227834 /nfs/dbraw/zinc/22/78/34/1065227834.db2.gz PKWFEVHEQQWYBS-XSDIEEQYSA-N 0 0 475.678 4.879 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(Br)s2)CC1 ZINC001360368020 1065227909 /nfs/dbraw/zinc/22/79/09/1065227909.db2.gz QWFAGRYETZIKSZ-QGZVFWFLSA-N 0 0 469.449 4.590 20 0 JJADRN Cc1cc([C@H](OC(=O)c2cnnn2-c2cccc(F)c2)C(F)(F)F)ccc1Br ZINC001436171304 1065227932 /nfs/dbraw/zinc/22/79/32/1065227932.db2.gz ZHBVOFDRCDGAEZ-INIZCTEOSA-N 0 0 458.209 4.938 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCCC[C@H]3COC(=O)N(C)CC)s2)cc1 ZINC001436171421 1065227952 /nfs/dbraw/zinc/22/79/52/1065227952.db2.gz QZJNOFBRRFOSDK-SFHVURJKSA-N 0 0 459.612 4.854 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc2c(cccc2Br)s1 ZINC001436171913 1065228055 /nfs/dbraw/zinc/22/80/55/1065228055.db2.gz ARLIUIXILHBXGB-JTQLQIEISA-N 0 0 451.367 4.965 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H](C)c2nc3ccccc3s2)nn1-c1ccccc1C(F)(F)F ZINC001360368860 1065228419 /nfs/dbraw/zinc/22/84/19/1065228419.db2.gz PKFKYUUFMKTGON-CYBMUJFWSA-N 0 0 458.465 4.660 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001436172305 1065228442 /nfs/dbraw/zinc/22/84/42/1065228442.db2.gz FASXVLDOIGBVQO-GFCCVEGCSA-N 0 0 450.383 4.754 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)CC1=O ZINC001360368621 1065228467 /nfs/dbraw/zinc/22/84/67/1065228467.db2.gz IWYNKICKFGXXQO-GNBJCERTSA-N 0 0 459.631 4.609 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001360369881 1065228958 /nfs/dbraw/zinc/22/89/58/1065228958.db2.gz YYZVDFZLBZRFMV-HSZRJFAPSA-N 0 0 450.966 4.877 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001360369578 1065228966 /nfs/dbraw/zinc/22/89/66/1065228966.db2.gz ODQVVTWIYILONY-UHFFFAOYSA-N 0 0 458.341 4.971 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3)n2CC2CCC(C(F)(F)F)CC2)CCO1 ZINC001360370085 1065229046 /nfs/dbraw/zinc/22/90/46/1065229046.db2.gz DDTMNPSJFTUFGK-DQVLVPHSSA-N 0 0 466.548 4.944 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)s1 ZINC001436173231 1065229059 /nfs/dbraw/zinc/22/90/59/1065229059.db2.gz CKJDFVJFACQTPH-ZACQAIPSSA-N 0 0 452.580 4.634 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC2CCCC2)CCO1 ZINC001360370397 1065229383 /nfs/dbraw/zinc/22/93/83/1065229383.db2.gz KOYPZSPXCJRXHU-INIZCTEOSA-N 0 0 469.449 4.590 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCO1 ZINC001360370345 1065229396 /nfs/dbraw/zinc/22/93/96/1065229396.db2.gz JVKFNCGOFAZYNP-AZUAARDMSA-N 0 0 481.494 4.525 20 0 JJADRN C[C@@H](C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)c1cccc(C(=O)c2ccccc2)c1 ZINC001436174559 1065229709 /nfs/dbraw/zinc/22/97/09/1065229709.db2.gz DYRYISGLLHEAOF-QGZVFWFLSA-N 0 0 450.485 4.775 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC(C)(C)c2cccs2)CCO1 ZINC001360370562 1065229814 /nfs/dbraw/zinc/22/98/14/1065229814.db2.gz NVLLPIZWPTXTAT-SFHVURJKSA-N 0 0 458.603 4.754 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cncc(C(F)(F)F)c2)cc1 ZINC001436175604 1065229866 /nfs/dbraw/zinc/22/98/66/1065229866.db2.gz LFDNHCIHRFDMTQ-IYBDPMFKSA-N 0 0 450.457 4.626 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCc2ccsc2)CCO1 ZINC001360370864 1065230501 /nfs/dbraw/zinc/23/05/01/1065230501.db2.gz UAAKFJMMZRZRNN-MRXNPFEDSA-N 0 0 497.484 4.704 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001360370977 1065230566 /nfs/dbraw/zinc/23/05/66/1065230566.db2.gz VRMNOTJIFRPACN-HLIPFELVSA-N 0 0 481.012 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001545895907 1065230781 /nfs/dbraw/zinc/23/07/81/1065230781.db2.gz HVMWKHYJYSLCKM-MRXNPFEDSA-N 0 0 467.536 4.770 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001436177763 1065230941 /nfs/dbraw/zinc/23/09/41/1065230941.db2.gz VDDTZROFRUMPQS-UHFFFAOYSA-N 0 0 455.939 4.821 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCO[C@H]2C(C)C)CCO1 ZINC001360371033 1065230944 /nfs/dbraw/zinc/23/09/44/1065230944.db2.gz WZWFYADSFBRTAZ-JLMWRMLUSA-N 0 0 497.467 4.943 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CCCS2)CCO1 ZINC001360371070 1065231072 /nfs/dbraw/zinc/23/10/72/1065231072.db2.gz XUVDEUIGVCHHTR-VGSWGCGISA-N 0 0 495.487 4.624 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001360371034 1065231172 /nfs/dbraw/zinc/23/11/72/1065231172.db2.gz WZWFYADSFBRTAZ-LQBOVUBWSA-N 0 0 497.467 4.943 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(C(F)(F)F)cnc1Cl ZINC001436178155 1065231525 /nfs/dbraw/zinc/23/15/25/1065231525.db2.gz RVLDBOJWQPUXTK-QGZVFWFLSA-N 0 0 452.782 4.904 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001360372980 1065231656 /nfs/dbraw/zinc/23/16/56/1065231656.db2.gz UOXDVWXBFSNZDB-RUZDIDTESA-N 0 0 458.603 4.994 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)C1CCN(c2nc3ccccc3s2)CC1 ZINC001436179788 1065231906 /nfs/dbraw/zinc/23/19/06/1065231906.db2.gz UGSCNMOBFHGBNF-UHFFFAOYSA-N 0 0 451.777 4.962 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1Cl ZINC001436179729 1065231972 /nfs/dbraw/zinc/23/19/72/1065231972.db2.gz CVQXTJDDMSQBKN-QGZVFWFLSA-N 0 0 459.999 4.534 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(C)C)CCO1 ZINC001360373855 1065232146 /nfs/dbraw/zinc/23/21/46/1065232146.db2.gz ZBMBODJOYYPSIZ-FQEVSTJZSA-N 0 0 453.631 4.749 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C)CCOCC2)CCO1 ZINC001360374750 1065232850 /nfs/dbraw/zinc/23/28/50/1065232850.db2.gz GOMHELLIZMJQNI-HXUWFJFHSA-N 0 0 495.089 4.671 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001436180574 1065232818 /nfs/dbraw/zinc/23/28/18/1065232818.db2.gz DFSDBRPGWJMDCS-OAQYLSRUSA-N 0 0 457.412 4.719 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001436181222 1065233147 /nfs/dbraw/zinc/23/31/47/1065233147.db2.gz GXLKCWNLCGEHST-INIZCTEOSA-N 0 0 457.384 4.817 20 0 JJADRN CC[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1ccc(F)cn1 ZINC001436181334 1065233184 /nfs/dbraw/zinc/23/31/84/1065233184.db2.gz CAEAASCQOPDKRP-GAJHUEQPSA-N 0 0 450.510 4.929 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001436181118 1065233407 /nfs/dbraw/zinc/23/34/07/1065233407.db2.gz FJMLWMQBGVTRGN-CQSZACIVSA-N 0 0 451.539 4.998 20 0 JJADRN Cc1cc(I)cc(NC(=O)Cc2csc(CCC(F)(F)F)n2)c1 ZINC001436181339 1065233417 /nfs/dbraw/zinc/23/34/17/1065233417.db2.gz DZDLIOCULPMKBS-UHFFFAOYSA-N 0 0 454.255 4.732 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2CCC(F)(F)CC2)CCO1 ZINC001360375104 1065233320 /nfs/dbraw/zinc/23/33/20/1065233320.db2.gz LTVJLDVHGSFBSV-SFHVURJKSA-N 0 0 484.538 4.603 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCO1 ZINC001360375293 1065233368 /nfs/dbraw/zinc/23/33/68/1065233368.db2.gz OJMRFYIYXWOCCY-OBDYRVMHSA-N 0 0 498.712 4.925 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CCO1 ZINC001360375294 1065233431 /nfs/dbraw/zinc/23/34/31/1065233431.db2.gz OJMRFYIYXWOCCY-OHSXHVKISA-N 0 0 498.712 4.925 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOC2CCCCCC2)CCO1 ZINC001360375996 1065233858 /nfs/dbraw/zinc/23/38/58/1065233858.db2.gz WRWHRIRNKOZEED-WXFUMESZSA-N 0 0 492.705 4.566 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(C)C)CCO1 ZINC001360375977 1065233941 /nfs/dbraw/zinc/23/39/41/1065233941.db2.gz WJFIUFJJCIPPNS-NRFANRHFSA-N 0 0 453.631 4.663 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436182660 1065234378 /nfs/dbraw/zinc/23/43/78/1065234378.db2.gz OXWWZVRNZVBPJN-GBESFXJTSA-N 0 0 451.405 4.849 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CC3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001360376280 1065234595 /nfs/dbraw/zinc/23/45/95/1065234595.db2.gz ZHNFHYGNJKJNSK-XPPIMPSXSA-N 0 0 462.679 4.625 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C2=NO[C@@H](c3ccccc3)C2)C1 ZINC001436184088 1065235541 /nfs/dbraw/zinc/23/55/41/1065235541.db2.gz YBIFCDMWSBWETI-TZIWHRDSSA-N 0 0 456.384 4.669 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c1 ZINC001436183528 1065235725 /nfs/dbraw/zinc/23/57/25/1065235725.db2.gz ZQGNQLDJXMXVAA-UHFFFAOYSA-N 0 0 450.320 4.628 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001436184108 1065235753 /nfs/dbraw/zinc/23/57/53/1065235753.db2.gz YHECDIIQWDNYJU-SFHVURJKSA-N 0 0 455.352 4.571 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001360376592 1065235726 /nfs/dbraw/zinc/23/57/26/1065235726.db2.gz IQWLBHWMCXSQBY-HRAATJIYSA-N 0 0 450.986 4.947 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC001436184916 1065236358 /nfs/dbraw/zinc/23/63/58/1065236358.db2.gz AOUWWHWPZAGALV-KRWDZBQOSA-N 0 0 454.548 4.520 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001360376736 1065236180 /nfs/dbraw/zinc/23/61/80/1065236180.db2.gz MXONBFIMPBCMCQ-VWLOTQADSA-N 0 0 494.583 4.526 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001360376667 1065236257 /nfs/dbraw/zinc/23/62/57/1065236257.db2.gz LCJTTXNDTWWIGG-UHFFFAOYSA-N 0 0 487.714 4.785 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)cc1OC1CCCC1 ZINC001436186195 1065236795 /nfs/dbraw/zinc/23/67/95/1065236795.db2.gz LYYOSWABDGAEOZ-NRFANRHFSA-N 0 0 458.599 4.880 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360376883 1065236869 /nfs/dbraw/zinc/23/68/69/1065236869.db2.gz QROCCPVWVCKGOL-HSZRJFAPSA-N 0 0 496.494 4.893 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001360376861 1065236883 /nfs/dbraw/zinc/23/68/83/1065236883.db2.gz QGKXWOPHBGHLAP-UHFFFAOYSA-N 0 0 482.456 4.762 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccsc1 ZINC001360377014 1065237529 /nfs/dbraw/zinc/23/75/29/1065237529.db2.gz UWEQJUWRNJAQQZ-UHFFFAOYSA-N 0 0 452.422 4.939 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001360377025 1065237649 /nfs/dbraw/zinc/23/76/49/1065237649.db2.gz VAZRINRDKGHRRX-UHFFFAOYSA-N 0 0 492.039 4.924 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCC2(c3ccccn3)CCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436187705 1065238045 /nfs/dbraw/zinc/23/80/45/1065238045.db2.gz DVJSTBGQKWKBBS-GOSISDBHSA-N 0 0 458.990 4.632 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001436187759 1065238235 /nfs/dbraw/zinc/23/82/35/1065238235.db2.gz FXDBUGWCAAJMMR-ACJLOTCBSA-N 0 0 454.354 4.792 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)C1 ZINC001436188901 1065239157 /nfs/dbraw/zinc/23/91/57/1065239157.db2.gz IWDLYQMHWMLVOQ-UONOGXRCSA-N 0 0 459.331 4.591 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360378834 1065239168 /nfs/dbraw/zinc/23/91/68/1065239168.db2.gz CVLFMSGSIUQCMJ-QFIPXVFZSA-N 0 0 492.668 4.830 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360379071 1065239943 /nfs/dbraw/zinc/23/99/43/1065239943.db2.gz KGRZBFMGADVFFA-QGZVFWFLSA-N 0 0 465.436 4.917 20 0 JJADRN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001436190363 1065240447 /nfs/dbraw/zinc/24/04/47/1065240447.db2.gz FWEVWDRXMRGVCC-OAHLLOKOSA-N 0 0 454.876 4.678 20 0 JJADRN CC(C)OCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360379360 1065240541 /nfs/dbraw/zinc/24/05/41/1065240541.db2.gz UFMDCJMDPMQAOR-MHZLTWQESA-N 0 0 480.657 4.977 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)CCN(Cc1ccccc1)C(C)=O ZINC001436191141 1065240720 /nfs/dbraw/zinc/24/07/20/1065240720.db2.gz QZGSSIUPYKNALQ-UHFFFAOYSA-N 0 0 450.560 4.887 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001436191703 1065241448 /nfs/dbraw/zinc/24/14/48/1065241448.db2.gz UFZBYZYNVDPVTJ-SJLPKXTDSA-N 0 0 459.384 4.509 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c(C)c1Br ZINC001436191487 1065241525 /nfs/dbraw/zinc/24/15/25/1065241525.db2.gz SMUCYCDJOVUZCX-GOSISDBHSA-N 0 0 451.405 4.530 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001360380187 1065241492 /nfs/dbraw/zinc/24/14/92/1065241492.db2.gz PKCPOKKMEYXFQX-ZWKOTPCHSA-N 0 0 477.447 4.873 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C)cc1Br ZINC001436192385 1065241832 /nfs/dbraw/zinc/24/18/32/1065241832.db2.gz QDSGCOQLOGURGV-UHFFFAOYSA-N 0 0 457.280 4.642 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cccc(Br)c2Cl)C1 ZINC001436191949 1065241844 /nfs/dbraw/zinc/24/18/44/1065241844.db2.gz VWHNIVQWRCNDAV-CABCVRRESA-N 0 0 457.796 4.966 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)cc1N1CCCCC1 ZINC001360381897 1065242501 /nfs/dbraw/zinc/24/25/01/1065242501.db2.gz ZQQDJICQXIJAKM-UHFFFAOYSA-N 0 0 456.974 4.788 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H](Cc3cccc(F)c3)n3nnnc3C)sc2C1 ZINC001436196214 1065243676 /nfs/dbraw/zinc/24/36/76/1065243676.db2.gz ZTPIEMLGXDSZRP-VQIMIIECSA-N 0 0 456.591 4.541 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001360382289 1065243582 /nfs/dbraw/zinc/24/35/82/1065243582.db2.gz MADUEBOMSCVBMQ-QFIPXVFZSA-N 0 0 476.593 4.992 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1=O ZINC001436195826 1065243734 /nfs/dbraw/zinc/24/37/34/1065243734.db2.gz QBZMVJCDAXKZIF-QGZVFWFLSA-N 0 0 453.739 4.784 20 0 JJADRN CC(C)OCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360382435 1065244166 /nfs/dbraw/zinc/24/41/66/1065244166.db2.gz PFKOPVZFGJCTEV-OAQYLSRUSA-N 0 0 450.574 4.604 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360382518 1065244192 /nfs/dbraw/zinc/24/41/92/1065244192.db2.gz SRVJNLSDADNARN-JOCHJYFZSA-N 0 0 458.990 4.898 20 0 JJADRN CC(C)OCCCCn1c(Cc2cccnc2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360382702 1065244642 /nfs/dbraw/zinc/24/46/42/1065244642.db2.gz ZCMGSXDWFLCYOT-UHFFFAOYSA-N 0 0 484.442 4.794 20 0 JJADRN COCCC[C@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC001436196954 1065244679 /nfs/dbraw/zinc/24/46/79/1065244679.db2.gz AQRZKGVMBSCAQP-GOSISDBHSA-N 0 0 456.926 4.706 20 0 JJADRN CC(C)OCCCCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360382920 1065245315 /nfs/dbraw/zinc/24/53/15/1065245315.db2.gz FXHNEUQVEIPDME-HFZDXXHNSA-N 0 0 456.631 4.648 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)C1 ZINC001436200355 1065246744 /nfs/dbraw/zinc/24/67/44/1065246744.db2.gz MVYZZZQMMBFODT-YLJYHZDGSA-N 0 0 459.823 4.553 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC001436199300 1065246785 /nfs/dbraw/zinc/24/67/85/1065246785.db2.gz COMCWXXPNUCLNE-IBGZPJMESA-N 0 0 456.608 4.626 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3S[C@@H](C)C(N)=O)s2)cc1 ZINC001360384451 1065247538 /nfs/dbraw/zinc/24/75/38/1065247538.db2.gz WPNCYUUDBFONIU-HIFRSBDPSA-N 0 0 455.605 4.584 20 0 JJADRN CN(CCOc1ccccc1C(=O)Nc1ncc(-c2ccccn2)s1)C(=O)OC(C)(C)C ZINC001436201677 1065248051 /nfs/dbraw/zinc/24/80/51/1065248051.db2.gz JVLVLUNDMLTZTD-UHFFFAOYSA-N 0 0 454.552 4.703 20 0 JJADRN C[C@@H]1CCc2c(sc(NC(=O)c3cnc(C4OCCO4)s3)c2C(=O)OC(C)(C)C)C1 ZINC001436202521 1065248358 /nfs/dbraw/zinc/24/83/58/1065248358.db2.gz SFRQPBSOUDZLNU-LLVKDONJSA-N 0 0 450.582 4.582 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360385664 1065248617 /nfs/dbraw/zinc/24/86/17/1065248617.db2.gz IHTIZBJBUUPKQK-UHFFFAOYSA-N 0 0 453.425 4.774 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001360385422 1065248632 /nfs/dbraw/zinc/24/86/32/1065248632.db2.gz SBWCBNKGXMSPEV-HXUWFJFHSA-N 0 0 457.014 4.746 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)C(C)(C)C)c1 ZINC001436203905 1065249460 /nfs/dbraw/zinc/24/94/60/1065249460.db2.gz XSQNILQMMKWJSJ-UHFFFAOYSA-N 0 0 459.550 4.582 20 0 JJADRN CC[C@H](CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)c1ccccc1 ZINC001436205312 1065250029 /nfs/dbraw/zinc/25/00/29/1065250029.db2.gz KRRTZCRCGADPCN-QVKFZJNVSA-N 0 0 457.368 4.715 20 0 JJADRN CC[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)c1ccccc1 ZINC001436205310 1065250054 /nfs/dbraw/zinc/25/00/54/1065250054.db2.gz KRRTZCRCGADPCN-BTYIYWSLSA-N 0 0 457.368 4.715 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360386159 1065250102 /nfs/dbraw/zinc/25/01/02/1065250102.db2.gz SGMCNAUMVVBAFT-IBGZPJMESA-N 0 0 476.065 4.792 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360386100 1065250228 /nfs/dbraw/zinc/25/02/28/1065250228.db2.gz QJYOGCQVEBJVSQ-UHFFFAOYSA-N 0 0 464.330 4.630 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360386281 1065250557 /nfs/dbraw/zinc/25/05/57/1065250557.db2.gz WTJUNJFOLUGAPU-QHCPKHFHSA-N 0 0 469.674 4.799 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360386987 1065251375 /nfs/dbraw/zinc/25/13/75/1065251375.db2.gz WKVNEEMYWUGITM-OAQYLSRUSA-N 0 0 457.619 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)Cc1coc(-c2cccs2)n1 ZINC001436208944 1065252126 /nfs/dbraw/zinc/25/21/26/1065252126.db2.gz KCLMKUSWVZCJSW-IBGZPJMESA-N 0 0 453.564 4.596 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N1CCN(c2cccc(Br)c2)CC1 ZINC001436209263 1065252528 /nfs/dbraw/zinc/25/25/28/1065252528.db2.gz NZICKNXQPZATSO-CMDGGOBGSA-N 0 0 455.274 4.710 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC001360388540 1065253050 /nfs/dbraw/zinc/25/30/50/1065253050.db2.gz RGSWNBKUDUGEOW-MRXNPFEDSA-N 0 0 456.995 4.869 20 0 JJADRN CC(C)OCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360389005 1065253186 /nfs/dbraw/zinc/25/31/86/1065253186.db2.gz ARVKLNQBHIAGJR-HSZRJFAPSA-N 0 0 479.547 4.771 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001436209766 1065253274 /nfs/dbraw/zinc/25/32/74/1065253274.db2.gz DSSQBNGQMYJKHT-KZNAEPCWSA-N 0 0 452.295 4.695 20 0 JJADRN CC(C)OCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360389965 1065253592 /nfs/dbraw/zinc/25/35/92/1065253592.db2.gz BBFFZPNEOVWPPL-UHFFFAOYSA-N 0 0 465.367 4.815 20 0 JJADRN CC(C)OCCCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360389498 1065253601 /nfs/dbraw/zinc/25/36/01/1065253601.db2.gz OMQNCLWGUUOORD-IBGZPJMESA-N 0 0 482.629 4.687 20 0 JJADRN CC(C)OCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360390222 1065254338 /nfs/dbraw/zinc/25/43/38/1065254338.db2.gz GUGXBFMWPVBKSH-UHFFFAOYSA-N 0 0 476.065 4.688 20 0 JJADRN CC(C)OCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001360390332 1065254961 /nfs/dbraw/zinc/25/49/61/1065254961.db2.gz JJOHHSBFANRSDW-NRFANRHFSA-N 0 0 487.645 4.795 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001360391333 1065255408 /nfs/dbraw/zinc/25/54/08/1065255408.db2.gz XIWLYURKVKJWMH-OAQYLSRUSA-N 0 0 485.629 4.507 20 0 JJADRN CC[C@@](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001436212926 1065255397 /nfs/dbraw/zinc/25/53/97/1065255397.db2.gz KHSFBIYXOJSMLF-VWLOTQADSA-N 0 0 458.986 4.666 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1OC ZINC001360391811 1065255794 /nfs/dbraw/zinc/25/57/94/1065255794.db2.gz CURCRZCXDFRVFZ-CQSZACIVSA-N 0 0 453.764 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC001360392060 1065255837 /nfs/dbraw/zinc/25/58/37/1065255837.db2.gz HZDBWFOVRXPDQM-FYYLOGMGSA-N 0 0 455.643 4.979 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc2nccnc2c1Br ZINC001436213470 1065255902 /nfs/dbraw/zinc/25/59/02/1065255902.db2.gz MSQNIRMZHUMQFB-UHFFFAOYSA-N 0 0 455.337 4.609 20 0 JJADRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 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20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N[C@@H]1CCCSC1 ZINC001436496425 1065335674 /nfs/dbraw/zinc/33/56/74/1065335674.db2.gz BPMINPXAUQSNEG-LJQANCHMSA-N 0 0 456.409 4.856 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360446354 1065336077 /nfs/dbraw/zinc/33/60/77/1065336077.db2.gz UBTGQXFNDUMOIZ-QGZVFWFLSA-N 0 0 498.509 4.551 20 0 JJADRN CC(C)(CC(=O)OCc1cc(Br)cnc1Cl)NC(=O)OCc1ccccc1 ZINC001436499843 1065336371 /nfs/dbraw/zinc/33/63/71/1065336371.db2.gz MHZUHFGXAVFGML-UHFFFAOYSA-N 0 0 455.736 4.636 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(F)(F)F ZINC001360446790 1065336755 /nfs/dbraw/zinc/33/67/55/1065336755.db2.gz ZLRSTDWBJHHTDE-CQSZACIVSA-N 0 0 481.544 4.761 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC1CCC(F)(F)CC1 ZINC001360447521 1065336829 /nfs/dbraw/zinc/33/68/29/1065336829.db2.gz BKNWXMXCCKTHJB-DENIHFKCSA-N 0 0 489.611 4.653 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c(C)c1 ZINC001436505038 1065336945 /nfs/dbraw/zinc/33/69/45/1065336945.db2.gz BOBVNDSTZPXAIU-UHFFFAOYSA-N 0 0 451.032 4.693 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1 ZINC001436506295 1065336961 /nfs/dbraw/zinc/33/69/61/1065336961.db2.gz MVWGMYUTFRBMOO-PMACEKPBSA-N 0 0 456.652 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)CSCC(=O)c3ccccc3)ccc21 ZINC001436506312 1065337019 /nfs/dbraw/zinc/33/70/19/1065337019.db2.gz NBZACGHKDRRDQF-UHFFFAOYSA-N 0 0 454.592 4.607 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2cccnc2)n1CC1(C)CCCC1 ZINC001360447731 1065337372 /nfs/dbraw/zinc/33/73/72/1065337372.db2.gz DDHWLCNSOZHVRG-NRFANRHFSA-N 0 0 460.626 4.500 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCOC1 ZINC001360447809 1065337382 /nfs/dbraw/zinc/33/73/82/1065337382.db2.gz DSLOZWKBLCAHAA-IRXDYDNUSA-N 0 0 458.404 4.670 20 0 JJADRN 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456.793 4.830 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(CO)c1 ZINC001360458622 1065358174 /nfs/dbraw/zinc/35/81/74/1065358174.db2.gz LWXSSGCSBGXWNP-KNQAVFIVSA-N 0 0 495.624 4.724 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)NC1CCCCC1 ZINC001360458435 1065358238 /nfs/dbraw/zinc/35/82/38/1065358238.db2.gz JJIMFDSVOMWKMP-GOSISDBHSA-N 0 0 453.562 4.637 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cncc(-c4ccc(C)cc4)c3)cc2F)ccn1 ZINC001436554347 1065358678 /nfs/dbraw/zinc/35/86/78/1065358678.db2.gz DWVSUKFOWMWMLI-UHFFFAOYSA-N 0 0 456.477 4.995 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 ZINC001436554367 1065358698 /nfs/dbraw/zinc/35/86/98/1065358698.db2.gz FNPGWBCVGRXQTF-IBGZPJMESA-N 0 0 457.889 4.822 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)CC(F)(F)F ZINC001360458751 1065358874 /nfs/dbraw/zinc/35/88/74/1065358874.db2.gz OGPPGZCWQPTIPC-HNNXBMFYSA-N 0 0 455.912 4.807 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1 ZINC001360458818 1065359047 /nfs/dbraw/zinc/35/90/47/1065359047.db2.gz PYWGSSLVMOKODA-QYZOEREBSA-N 0 0 475.659 4.936 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)/C(=C/c3ccccc3)C(F)(F)F)cc2F)ccn1 ZINC001436555216 1065359120 /nfs/dbraw/zinc/35/91/20/1065359120.db2.gz YUKVNXMIHQZBFA-BOPFTXTBSA-N 0 0 459.399 4.957 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccs1 ZINC001360458987 1065359649 /nfs/dbraw/zinc/35/96/49/1065359649.db2.gz RKQAQGVJKSARCT-HKUYNNGSSA-N 0 0 487.626 4.681 20 0 JJADRN CC(C)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360459063 1065360210 /nfs/dbraw/zinc/36/02/10/1065360210.db2.gz SLDJEFJMYQKMFZ-IBGZPJMESA-N 0 0 451.619 4.925 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360459032 1065360424 /nfs/dbraw/zinc/36/04/24/1065360424.db2.gz SEDBBBOXTLNLCO-ICSRJNTNSA-N 0 0 461.532 4.738 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)/C(C)=C\c3ccc(OC)c(F)c3)cc2F)ccn1 ZINC001436557179 1065360671 /nfs/dbraw/zinc/36/06/71/1065360671.db2.gz VMKGUSGNAIAHGV-UVTDQMKNSA-N 0 0 453.445 4.562 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccsc2)n1CCCS(=O)(=O)c1ccccc1 ZINC001360459520 1065360993 /nfs/dbraw/zinc/36/09/93/1065360993.db2.gz WVANPBDZQAHWFT-GOSISDBHSA-N 0 0 470.620 4.585 20 0 JJADRN C[C@H]1CCn2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)nc2C1 ZINC001436557300 1065361241 /nfs/dbraw/zinc/36/12/41/1065361241.db2.gz WDJBNFIARMTNLL-YJBOKZPZSA-N 0 0 454.571 4.845 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCCSC1)Nc1cccc(C(F)(F)F)c1 ZINC001436558435 1065361298 /nfs/dbraw/zinc/36/12/98/1065361298.db2.gz GUWBHUGDFGIDTM-HNNXBMFYSA-N 0 0 452.498 4.596 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)ccc1Br ZINC001436558419 1065361344 /nfs/dbraw/zinc/36/13/44/1065361344.db2.gz CHJIXOYMZJZUDN-UHFFFAOYSA-N 0 0 458.805 4.626 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 ZINC001360460543 1065362642 /nfs/dbraw/zinc/36/26/42/1065362642.db2.gz BTTIUSYXHJVKJS-FYQPLNBISA-N 0 0 473.618 4.692 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCSC1 ZINC001360460550 1065362658 /nfs/dbraw/zinc/36/26/58/1065362658.db2.gz CAPCPTBJVOWUCH-RNODOKPDSA-N 0 0 497.459 4.974 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(F)cc2)n1CC(F)(F)Br ZINC001360460612 1065363208 /nfs/dbraw/zinc/36/32/08/1065363208.db2.gz DGISESOHUIGMSY-LBPRGKRZSA-N 0 0 459.266 4.774 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCOCC1(C)C ZINC001360460787 1065363790 /nfs/dbraw/zinc/36/37/90/1065363790.db2.gz HJKUMGCZHHRHNA-KRWDZBQOSA-N 0 0 491.608 4.916 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360460968 1065364688 /nfs/dbraw/zinc/36/46/88/1065364688.db2.gz KNBBKSYJIFRZNT-HLLBOEOZSA-N 0 0 478.460 4.856 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)nnn1-c1cccc(C)c1 ZINC001436563907 1065365203 /nfs/dbraw/zinc/36/52/03/1065365203.db2.gz JTMPGMKRCAPVAY-CALCHBBNSA-N 0 0 457.500 4.642 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2)o1)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001436563648 1065365270 /nfs/dbraw/zinc/36/52/70/1065365270.db2.gz KGBCYMUUNGUKJF-UHFFFAOYSA-N 0 0 456.424 4.745 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)c1cccc2c(Br)cccc12)c1cccc(OC)c1 ZINC001436563832 1065365320 /nfs/dbraw/zinc/36/53/20/1065365320.db2.gz VEJXNVLFQMKWHM-HSZRJFAPSA-N 0 0 456.336 4.819 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360461187 1065365767 /nfs/dbraw/zinc/36/57/67/1065365767.db2.gz OZETXBMYTVUKMW-AWEZNQCLSA-N 0 0 487.511 4.646 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)CCCOc1ccccc1Cl ZINC001436564700 1065365834 /nfs/dbraw/zinc/36/58/34/1065365834.db2.gz LGDYRHSRFCOSJD-UHFFFAOYSA-N 0 0 456.720 4.695 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCOC1=O 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HEKKPSGVBMFVKO-ACJLOTCBSA-N 0 0 456.411 4.722 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001436571784 1065371863 /nfs/dbraw/zinc/37/18/63/1065371863.db2.gz CEMHWKRWFRCUHW-ROUUACIJSA-N 0 0 459.587 4.810 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001360463299 1065371992 /nfs/dbraw/zinc/37/19/92/1065371992.db2.gz NEEXCWPUKMEKBN-JFIYKMOQSA-N 0 0 454.430 4.621 20 0 JJADRN C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001436572027 1065372398 /nfs/dbraw/zinc/37/23/98/1065372398.db2.gz APCXPNDVBMOSJY-HNNXBMFYSA-N 0 0 455.967 4.895 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc(Br)c1F ZINC001436572575 1065372648 /nfs/dbraw/zinc/37/26/48/1065372648.db2.gz GXCYBNLWNHLITP-UHFFFAOYSA-N 0 0 453.109 4.848 20 0 JJADRN C[C@H]1CCN(c2cc(C(=O)NCc3cccc4c3CCCN4C(=O)OC(C)(C)C)ccn2)C1 ZINC001436573408 1065373032 /nfs/dbraw/zinc/37/30/32/1065373032.db2.gz LQIUMKSGBIJSIW-SFHVURJKSA-N 0 0 450.583 4.546 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001436573356 1065373112 /nfs/dbraw/zinc/37/31/12/1065373112.db2.gz ICHFNRIENAYEEB-LJQANCHMSA-N 0 0 453.377 4.716 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001360464086 1065373094 /nfs/dbraw/zinc/37/30/94/1065373094.db2.gz ZCNSFFSKTUNABP-FUHWJXTLSA-N 0 0 471.593 4.705 20 0 JJADRN Cc1c(I)cccc1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001360463948 1065373165 /nfs/dbraw/zinc/37/31/65/1065373165.db2.gz UBUXLBNTDLBDMO-UHFFFAOYSA-N 0 0 451.201 4.943 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360464131 1065373180 /nfs/dbraw/zinc/37/31/80/1065373180.db2.gz ZSDNNWUWMDDDBG-IXDOHACOSA-N 0 0 457.566 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)CCCc3nc(C(C)(C)C)no3)cccc21 ZINC001436574066 1065373809 /nfs/dbraw/zinc/37/38/09/1065373809.db2.gz OEJMQSHVKHAELV-UHFFFAOYSA-N 0 0 456.587 4.694 20 0 JJADRN COc1cc(C(=O)NCCc2nnc(C)s2)ccc1OCc1ccc(Cl)cc1Cl ZINC001436574819 1065374417 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CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC001360480252 1065398854 /nfs/dbraw/zinc/39/88/54/1065398854.db2.gz SNVCFGBVALUEOD-QRQCRPRQSA-N 0 0 451.224 4.568 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001436617106 1065399820 /nfs/dbraw/zinc/39/98/20/1065399820.db2.gz VMUWEQRAUKDFKH-ZTFGCOKTSA-N 0 0 453.391 4.696 20 0 JJADRN Cc1ccc2c(c1F)N(C(=O)CCc1ccc(S(=O)(=O)N3CCCCCC3)cc1)CCC2 ZINC001436617139 1065399897 /nfs/dbraw/zinc/39/98/97/1065399897.db2.gz WDTQILGBQWJBLD-UHFFFAOYSA-N 0 0 458.599 4.611 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1ccc(Cl)cc1 ZINC001360482130 1065401378 /nfs/dbraw/zinc/40/13/78/1065401378.db2.gz UXFWLWPBDRHBEU-JOCHJYFZSA-N 0 0 455.002 4.562 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360482803 1065401979 /nfs/dbraw/zinc/40/19/79/1065401979.db2.gz LAKURJVKLUCDBZ-SUYBPPKGSA-N 0 0 491.821 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)[C@H](c2ccccc2)C1 ZINC001436623241 1065402248 /nfs/dbraw/zinc/40/22/48/1065402248.db2.gz UZPFNWGWADOFIA-IBGZPJMESA-N 0 0 456.587 4.510 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1Cl ZINC001436623292 1065402274 /nfs/dbraw/zinc/40/22/74/1065402274.db2.gz WTEUUKLWBVKBHR-FQEVSTJZSA-N 0 0 459.974 4.956 20 0 JJADRN COc1nccc2c(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)cccc21 ZINC001436623904 1065402997 /nfs/dbraw/zinc/40/29/97/1065402997.db2.gz CWKGRHMBUASLLQ-DENIHFKCSA-N 0 0 461.562 4.908 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(Br)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360483118 1065403065 /nfs/dbraw/zinc/40/30/65/1065403065.db2.gz RTRHGTGVJXJCPE-INWMFGNUSA-N 0 0 488.352 4.701 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@@H](C)c1ccccc1 ZINC001545899990 1065403860 /nfs/dbraw/zinc/40/38/60/1065403860.db2.gz DEIKSTFDBONOHN-DVECYGJZSA-N 0 0 477.657 4.655 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360484815 1065404673 /nfs/dbraw/zinc/40/46/73/1065404673.db2.gz CNNDIQVHBZJJMP-SXGZJXTBSA-N 0 0 482.456 4.793 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccc(Cl)s1 ZINC001360485592 1065405642 /nfs/dbraw/zinc/40/56/42/1065405642.db2.gz KQAAHKUUNSTVRS-LLVKDONJSA-N 0 0 472.829 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2ccccc2OC(F)F)C1 ZINC001436628824 1065406509 /nfs/dbraw/zinc/40/65/09/1065406509.db2.gz KPYDQWSKDXKFFA-RTBURBONSA-N 0 0 452.542 4.859 20 0 JJADRN CCSCc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)no1 ZINC001436628382 1065406523 /nfs/dbraw/zinc/40/65/23/1065406523.db2.gz VZWYUQONQBSGPR-AZUAARDMSA-N 0 0 463.575 4.590 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001436628626 1065406547 /nfs/dbraw/zinc/40/65/47/1065406547.db2.gz ZNZLMIHFMCKWJJ-JWNQUFKESA-N 0 0 454.542 4.757 20 0 JJADRN CCOCc1nc(C)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001436628614 1065406557 /nfs/dbraw/zinc/40/65/57/1065406557.db2.gz ZGGFTMVGOFXALO-RBUKOAKNSA-N 0 0 477.602 4.650 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCCC[C@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1 ZINC001436629963 1065407235 /nfs/dbraw/zinc/40/72/35/1065407235.db2.gz WKGZBAUGYXGUOT-GMAHTHKFSA-N 0 0 452.599 4.729 20 0 JJADRN CCCN(C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC001360488337 1065407308 /nfs/dbraw/zinc/40/73/08/1065407308.db2.gz DDSLBJJVQPCUFH-RBUKOAKNSA-N 0 0 452.521 4.709 20 0 JJADRN CCCN(C(=O)CCOc1cccc(I)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001360488749 1065408184 /nfs/dbraw/zinc/40/81/84/1065408184.db2.gz MBJNYTJUTODXIO-ROUUACIJSA-N 0 0 459.368 4.502 20 0 JJADRN O=C(Nc1cc(F)c(I)c(F)c1)[C@H](Cc1cccnc1)C1CCCC1 ZINC001360491489 1065408713 /nfs/dbraw/zinc/40/87/13/1065408713.db2.gz AZHYTQRPUASOOC-OAHLLOKOSA-N 0 0 456.274 4.952 20 0 JJADRN 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ZINC001436639984 1065412318 /nfs/dbraw/zinc/41/23/18/1065412318.db2.gz YULXVLHZSZGKTN-UHFFFAOYSA-N 0 0 452.599 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC001436639112 1065412331 /nfs/dbraw/zinc/41/23/31/1065412331.db2.gz VZURABSZLKEIBG-UHFFFAOYSA-N 0 0 453.583 4.914 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnccn1 ZINC001360496924 1065412995 /nfs/dbraw/zinc/41/29/95/1065412995.db2.gz CLFISVHQXOJSML-ROUUACIJSA-N 0 0 466.586 4.924 20 0 JJADRN Cc1cc(C(F)(F)C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cnc1Cl ZINC001360497181 1065414090 /nfs/dbraw/zinc/41/40/90/1065414090.db2.gz WIHCRVSLYBWZHZ-UHFFFAOYSA-N 0 0 450.894 4.748 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360497180 1065414135 /nfs/dbraw/zinc/41/41/35/1065414135.db2.gz FXRWARBLYSLSQH-IRXDYDNUSA-N 0 0 489.592 4.579 20 0 JJADRN CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360497260 1065414197 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MOMHSUAIRKKQHI-UHFFFAOYSA-N 0 0 456.674 4.686 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)OCc3cc(Cl)cc(Br)c3)n2)cc1 ZINC001436647730 1065416528 /nfs/dbraw/zinc/41/65/28/1065416528.db2.gz PWYAHMVKGCBZRD-UHFFFAOYSA-N 0 0 451.704 4.837 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001360498802 1065418128 /nfs/dbraw/zinc/41/81/28/1065418128.db2.gz WGEOWYWCVNIZJE-YJBOKZPZSA-N 0 0 497.061 4.691 20 0 JJADRN O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc(Br)ccc1Br ZINC001360498913 1065418217 /nfs/dbraw/zinc/41/82/17/1065418217.db2.gz YPEUZRSBSPKRRF-UHFFFAOYSA-N 0 0 456.153 4.750 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001436654594 1065419002 /nfs/dbraw/zinc/41/90/02/1065419002.db2.gz ODQVXWYMDKYRHL-KVDXNUTJSA-N 0 0 459.999 4.732 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545900160 1065419027 /nfs/dbraw/zinc/41/90/27/1065419027.db2.gz IGFRJQSPVWWBLT-QHCPKHFHSA-N 0 0 497.684 4.721 20 0 JJADRN O=C(Nc1ccc(SC(F)(F)F)nc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001436657782 1065419921 /nfs/dbraw/zinc/41/99/21/1065419921.db2.gz HFJGIVKEEAKUOY-UHFFFAOYSA-N 0 0 459.515 4.511 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)COc1ccccc1C(F)(F)F)COCC2 ZINC001436669166 1065420812 /nfs/dbraw/zinc/42/08/12/1065420812.db2.gz NGAYLZBZGLFWGE-UHFFFAOYSA-N 0 0 457.470 4.812 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2 ZINC001436669036 1065420836 /nfs/dbraw/zinc/42/08/36/1065420836.db2.gz MHAWAMVPLFMFPQ-AWEZNQCLSA-N 0 0 453.564 4.537 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360500063 1065421428 /nfs/dbraw/zinc/42/14/28/1065421428.db2.gz KFXHGDAJDSGTKV-ROUUACIJSA-N 0 0 458.603 4.940 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001360500216 1065421461 /nfs/dbraw/zinc/42/14/61/1065421461.db2.gz LAGADUZOKGNMAM-INZIPBBXSA-N 0 0 453.637 4.587 20 0 JJADRN O=C(Oc1ccc(Br)c(Cl)c1)c1cn(-c2ccccc2Br)nn1 ZINC001436672583 1065421576 /nfs/dbraw/zinc/42/15/76/1065421576.db2.gz IZYZMRREZBDCOT-UHFFFAOYSA-N 0 0 457.509 4.665 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)nnc1-c1ccccc1 ZINC001436672518 1065421682 /nfs/dbraw/zinc/42/16/82/1065421682.db2.gz FBTQNODBZYEMGP-DLBZAZTESA-N 0 0 452.580 4.923 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1 ZINC001360500751 1065423188 /nfs/dbraw/zinc/42/31/88/1065423188.db2.gz OFEHBLKNSZRDGW-SFHVURJKSA-N 0 0 465.648 4.846 20 0 JJADRN CC(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C2 ZINC001436689312 1065423255 /nfs/dbraw/zinc/42/32/55/1065423255.db2.gz CTWQEMWVAMCIFB-UHFFFAOYSA-N 0 0 450.604 4.834 20 0 JJADRN Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)[C@@]1(C)CC1(Br)Br ZINC001436691507 1065423270 /nfs/dbraw/zinc/42/32/70/1065423270.db2.gz IZRJIAKUYKJADQ-GFCCVEGCSA-N 0 0 455.965 4.715 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001545900475 1065423384 /nfs/dbraw/zinc/42/33/84/1065423384.db2.gz OYACZOADRZKXLO-BHIYHBOVSA-N 0 0 460.022 4.584 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360500844 1065424240 /nfs/dbraw/zinc/42/42/40/1065424240.db2.gz OXUCWSKDCAOCKP-IEBWSBKVSA-N 0 0 479.572 4.752 20 0 JJADRN Cc1ccc(S[C@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c2ccccc2)c(C)c1 ZINC001436702986 1065425128 /nfs/dbraw/zinc/42/51/28/1065425128.db2.gz SRTOANIVWPXZHB-FQEVSTJZSA-N 0 0 458.630 4.703 20 0 JJADRN Cc1c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cccc1S(=O)(=O)N(C)C ZINC001436704808 1065425210 /nfs/dbraw/zinc/42/52/10/1065425210.db2.gz DVEDOYVYRVTVBP-UHFFFAOYSA-N 0 0 457.621 4.673 20 0 JJADRN O=C(NCC[S@](=O)Cc1ccccc1)c1sc2cc(Br)ccc2c1Cl ZINC001360501442 1065425804 /nfs/dbraw/zinc/42/58/04/1065425804.db2.gz JKWKQCPLTJXLSJ-VWLOTQADSA-N 0 0 456.814 4.996 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001436710870 1065425926 /nfs/dbraw/zinc/42/59/26/1065425926.db2.gz AKTLAKQPWUITEM-CQSZACIVSA-N 0 0 455.331 4.627 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360502185 1065427346 /nfs/dbraw/zinc/42/73/46/1065427346.db2.gz YTPJGSGMUDCZLU-ROUUACIJSA-N 0 0 455.603 4.677 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 ZINC001360502279 1065427458 /nfs/dbraw/zinc/42/74/58/1065427458.db2.gz ZIARYBQNYKLFGS-QGZVFWFLSA-N 0 0 453.015 4.889 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C1(CCCOCc2ccccc2)CC1 ZINC001436712921 1065427573 /nfs/dbraw/zinc/42/75/73/1065427573.db2.gz GCHQZXTUURRSQP-XZOQPEGZSA-N 0 0 460.540 4.910 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436714818 1065428591 /nfs/dbraw/zinc/42/85/91/1065428591.db2.gz OMXBBFUAHVWYGA-VGOFRKELSA-N 0 0 453.558 4.673 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1oc2ccccc2c1Br ZINC001436716159 1065428610 /nfs/dbraw/zinc/42/86/10/1065428610.db2.gz XOUPQWXJAYGPDI-JKSUJKDBSA-N 0 0 467.285 4.955 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)cc(F)c1Br 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ZINC001437144679 1065513854 /nfs/dbraw/zinc/51/38/54/1065513854.db2.gz KUMLWYZXGDVGMH-SECBINFHSA-N 0 0 458.093 4.629 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](COC)CC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001437144607 1065513907 /nfs/dbraw/zinc/51/39/07/1065513907.db2.gz PINILJXGUIRJJZ-CQSZACIVSA-N 0 0 459.443 4.931 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 ZINC001360532103 1065513983 /nfs/dbraw/zinc/51/39/83/1065513983.db2.gz ZUSPQQXELXSENV-QFBILLFUSA-N 0 0 473.046 4.747 20 0 JJADRN C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437145924 1065514471 /nfs/dbraw/zinc/51/44/71/1065514471.db2.gz QTNABXVGTNWHTA-JCGIZDLHSA-N 0 0 476.415 4.757 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1C(F)F ZINC001437147720 1065514486 /nfs/dbraw/zinc/51/44/86/1065514486.db2.gz SMZMJSZMDDGCPG-SDDRHHMPSA-N 0 0 467.479 4.982 20 0 JJADRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001437146670 1065514507 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C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1)Oc1cccc(F)c1 ZINC001360536151 1065518475 /nfs/dbraw/zinc/51/84/75/1065518475.db2.gz VIWYEQFBSGGLPE-MRXNPFEDSA-N 0 0 499.388 4.684 20 0 JJADRN CCn1cc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c(C(F)(F)F)n1 ZINC001437189778 1065518517 /nfs/dbraw/zinc/51/85/17/1065518517.db2.gz CFYRSGAFUMZMJE-UHFFFAOYSA-N 0 0 455.695 4.844 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1)c1ccc(F)cc1 ZINC001360536135 1065518646 /nfs/dbraw/zinc/51/86/46/1065518646.db2.gz VCECHYPIZGUQOU-ZDUSSCGKSA-N 0 0 459.323 4.603 20 0 JJADRN COc1cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc(Cl)c1OC ZINC001437192088 1065519089 /nfs/dbraw/zinc/51/90/89/1065519089.db2.gz VDTOWEZQWAISKJ-UHFFFAOYSA-N 0 0 452.938 4.982 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360536329 1065519035 /nfs/dbraw/zinc/51/90/35/1065519035.db2.gz XBUJYHPBHPHOHE-RBSFLKMASA-N 0 0 462.367 4.735 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001545905502 1065519603 /nfs/dbraw/zinc/51/96/03/1065519603.db2.gz CGLIJTWTUHIOSE-SESVDKBCSA-N 0 0 490.693 4.515 20 0 JJADRN COc1c(C)cccc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001437205069 1065519634 /nfs/dbraw/zinc/51/96/34/1065519634.db2.gz ZIHAWRSNUUWURU-SFHVURJKSA-N 0 0 452.473 4.905 20 0 JJADRN COc1c(C)cccc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001437205063 1065519658 /nfs/dbraw/zinc/51/96/58/1065519658.db2.gz ZIHAWRSNUUWURU-GOSISDBHSA-N 0 0 452.473 4.905 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC001437213324 1065520166 /nfs/dbraw/zinc/52/01/66/1065520166.db2.gz GBMYREZFTGZZGL-AWEZNQCLSA-N 0 0 454.748 4.723 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1ccc(F)c(I)c1 ZINC001437211257 1065520254 /nfs/dbraw/zinc/52/02/54/1065520254.db2.gz KAZABMOYAIGEDV-UHFFFAOYSA-N 0 0 457.193 4.806 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C1CCCCCC1 ZINC001437217597 1065520580 /nfs/dbraw/zinc/52/05/80/1065520580.db2.gz SZCKFOGSRFZCFL-FQEVSTJZSA-N 0 0 451.489 4.831 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001545905545 1065520717 /nfs/dbraw/zinc/52/07/17/1065520717.db2.gz DBJHQCLERZSRHO-UHFFFAOYSA-N 0 0 489.611 4.754 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@]1(c2ccc(OCC)cc2)CC1(Cl)Cl)C1CCCCCC1 ZINC001437215179 1065520826 /nfs/dbraw/zinc/52/08/26/1065520826.db2.gz NEURNZBULQUWEM-DENIHFKCSA-N 0 0 456.410 4.919 20 0 JJADRN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc(I)c(Cl)cc1Cl ZINC001437219755 1065521306 /nfs/dbraw/zinc/52/13/06/1065521306.db2.gz ATDFQKOIYPNFPM-CABCVRRESA-N 0 0 454.135 4.676 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1=O ZINC001360537824 1065521778 /nfs/dbraw/zinc/52/17/78/1065521778.db2.gz NEZPMRYKMCAKBW-MNAQKMTRSA-N 0 0 452.620 4.822 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC001437220669 1065521876 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457.384 4.674 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C1([C@H]2CCCCO2)CCOCC1 ZINC001360539143 1065523942 /nfs/dbraw/zinc/52/39/42/1065523942.db2.gz XGXQJBWTGIOTFV-MRXNPFEDSA-N 0 0 455.395 4.951 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cnn(-c4ccc(F)cc4F)c3C)c(=O)oc2c1 ZINC001437241446 1065524543 /nfs/dbraw/zinc/52/45/43/1065524543.db2.gz GXNAZQIWBUBVQO-UHFFFAOYSA-N 0 0 452.461 4.664 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360540432 1065524866 /nfs/dbraw/zinc/52/48/66/1065524866.db2.gz CLLBBCOWYRXTFO-OAGGEKHMSA-N 0 0 461.994 4.930 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1cccc(OC)c1OC ZINC001545905706 1065525491 /nfs/dbraw/zinc/52/54/91/1065525491.db2.gz HQYIAWASHLYHNA-MHZLTWQESA-N 0 0 481.641 4.589 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)OCc3ncc(Br)cc3Cl)CC2=O)cc1 ZINC001437258180 1065526032 /nfs/dbraw/zinc/52/60/32/1065526032.db2.gz YHQLSWZUFORSTL-CQSZACIVSA-N 0 0 451.748 4.546 20 0 JJADRN COC(OC)[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC001437255519 1065526209 /nfs/dbraw/zinc/52/62/09/1065526209.db2.gz SDASARHCMPKFJZ-QFIPXVFZSA-N 0 0 451.910 4.876 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCCO1)Oc1cccc(F)c1 ZINC001360540652 1065526163 /nfs/dbraw/zinc/52/61/63/1065526163.db2.gz DGKGEONRVLEVPD-OXJNMPFZSA-N 0 0 459.953 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545905765 1065526666 /nfs/dbraw/zinc/52/66/66/1065526666.db2.gz IYCBXJWVCMSDJF-QTGUNEKASA-N 0 0 471.621 4.962 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1)N(C)C(=O)OC(C)(C)C ZINC001360541016 1065526790 /nfs/dbraw/zinc/52/67/90/1065526790.db2.gz KVKCFAIFCSDMNK-CQSZACIVSA-N 0 0 455.937 4.699 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360540964 1065526801 /nfs/dbraw/zinc/52/68/01/1065526801.db2.gz HPBWNYSDYUCSPV-HOCLYGCPSA-N 0 0 484.979 4.730 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360540962 1065526813 /nfs/dbraw/zinc/52/68/13/1065526813.db2.gz HPBWNYSDYUCSPV-GOEBONIOSA-N 0 0 484.979 4.730 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001437267833 1065527192 /nfs/dbraw/zinc/52/71/92/1065527192.db2.gz JPVUBUCWXAYJKC-SJORKVTESA-N 0 0 454.514 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001437267832 1065527261 /nfs/dbraw/zinc/52/72/61/1065527261.db2.gz JPVUBUCWXAYJKC-IRXDYDNUSA-N 0 0 454.514 4.531 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)CCCCOc2ccc(C(=O)CC)cc2)C1 ZINC001437270300 1065527704 /nfs/dbraw/zinc/52/77/04/1065527704.db2.gz JJJWCLINSACIKH-FQEVSTJZSA-N 0 0 455.526 4.736 20 0 JJADRN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001437271085 1065527759 /nfs/dbraw/zinc/52/77/59/1065527759.db2.gz VVILVGMHRRKDBC-FQEVSTJZSA-N 0 0 454.876 4.687 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC001437271130 1065527916 /nfs/dbraw/zinc/52/79/16/1065527916.db2.gz INYPKINZTLPWMY-YJBOKZPZSA-N 0 0 454.398 4.694 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCc2ccc(F)cc21 ZINC001437275286 1065528439 /nfs/dbraw/zinc/52/84/39/1065528439.db2.gz PXHVMOCBEJDUIT-QGZVFWFLSA-N 0 0 450.485 4.784 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC001437279891 1065528796 /nfs/dbraw/zinc/52/87/96/1065528796.db2.gz NBSHGPGBTAQBAU-HTAPYJJXSA-N 0 0 457.361 4.954 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC001437279895 1065528895 /nfs/dbraw/zinc/52/88/95/1065528895.db2.gz NBSHGPGBTAQBAU-VGOFRKELSA-N 0 0 457.361 4.954 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360541752 1065529297 /nfs/dbraw/zinc/52/92/97/1065529297.db2.gz NLAFMIGTXIECBN-LSDHHAIUSA-N 0 0 484.041 4.935 20 0 JJADRN 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C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccc(Cl)cc1 ZINC001360542511 1065532117 /nfs/dbraw/zinc/53/21/17/1065532117.db2.gz XQIDXEFOPPRTAF-DLBZAZTESA-N 0 0 476.408 4.977 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC001437288962 1065532049 /nfs/dbraw/zinc/53/20/49/1065532049.db2.gz QNQQOMVBSRWEFL-PMACEKPBSA-N 0 0 450.913 4.730 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)cc2)n1 ZINC001360543239 1065532669 /nfs/dbraw/zinc/53/26/69/1065532669.db2.gz SRISKURQXWLQKU-UHFFFAOYSA-N 0 0 454.483 4.692 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1nccs1 ZINC001360543999 1065533204 /nfs/dbraw/zinc/53/32/04/1065533204.db2.gz AAYVFNUIYBXLMD-ROUUACIJSA-N 0 0 468.627 4.651 20 0 JJADRN Cc1ccc(NC(=O)CCCn2ccc3cc(Cl)ccc32)c(C)c1S(=O)(=O)NC1CC1 ZINC001360543675 1065533398 /nfs/dbraw/zinc/53/33/98/1065533398.db2.gz MHTXDLYZZUUGCG-UHFFFAOYSA-N 0 0 459.999 4.771 20 0 JJADRN 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ZINC001437306784 1065534937 /nfs/dbraw/zinc/53/49/37/1065534937.db2.gz WZNOKHQDXAIZLE-UHFFFAOYSA-N 0 0 454.296 4.775 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)N1CCOc3c1cc(Br)cc3C(F)(F)F)CO2 ZINC001437306018 1065535073 /nfs/dbraw/zinc/53/50/73/1065535073.db2.gz VADLJZQFHZZFFD-CQSZACIVSA-N 0 0 456.258 4.986 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360544950 1065535343 /nfs/dbraw/zinc/53/53/43/1065535343.db2.gz SYURRMMSIQLXPC-MJGOQNOKSA-N 0 0 468.627 4.699 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)C1 ZINC001437313335 1065535610 /nfs/dbraw/zinc/53/56/10/1065535610.db2.gz AMLONYOLRYNXDL-FZQQJDCISA-N 0 0 463.327 4.719 20 0 JJADRN COCCN(C(=O)[C@H](C)c1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437311536 1065535628 /nfs/dbraw/zinc/53/56/28/1065535628.db2.gz BBYIILJNCRNRQB-LJQANCHMSA-N 0 0 458.986 4.720 20 0 JJADRN COCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437311701 1065535861 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CC[C@H]1CCCCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001360547660 1065539110 /nfs/dbraw/zinc/53/91/10/1065539110.db2.gz PJPFOUODDVVFCD-NRFANRHFSA-N 0 0 456.608 4.632 20 0 JJADRN CCc1ccc(CCNC(=O)c2cc(I)ccc2Br)cc1 ZINC001360547719 1065539162 /nfs/dbraw/zinc/53/91/62/1065539162.db2.gz RKNFULDLLJKWSP-UHFFFAOYSA-N 0 0 458.137 4.589 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)cc1 ZINC001360547212 1065539236 /nfs/dbraw/zinc/53/92/36/1065539236.db2.gz ZTOOYAYNZAGKLB-UHFFFAOYSA-N 0 0 456.424 4.718 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1C(F)(F)F ZINC001437343615 1065539500 /nfs/dbraw/zinc/53/95/00/1065539500.db2.gz OHYMRVGGSQQJIC-UXPWSPDFSA-N 0 0 479.499 4.703 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)C1(c2ccccc2Cl)CCC1)Cc1ccc(C(F)(F)F)cc1 ZINC001437341627 1065539514 /nfs/dbraw/zinc/53/95/14/1065539514.db2.gz BYYWJEBIVGACGV-MRXNPFEDSA-N 0 0 452.904 4.502 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)Nc3nc4c(s3)C(=O)CCC4)cc21 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ZINC001360551755 1065543616 /nfs/dbraw/zinc/54/36/16/1065543616.db2.gz YLEIQSFHNDDSCY-UHFFFAOYSA-N 0 0 455.605 4.541 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360552572 1065543912 /nfs/dbraw/zinc/54/39/12/1065543912.db2.gz WOCOQWFJOZTVHV-SFHVURJKSA-N 0 0 453.995 4.966 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001437373229 1065543962 /nfs/dbraw/zinc/54/39/62/1065543962.db2.gz WZGZFLZACUAQJV-RUZDIDTESA-N 0 0 453.970 4.864 20 0 JJADRN C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001360552807 1065544012 /nfs/dbraw/zinc/54/40/12/1065544012.db2.gz BGQHUBJYOOVPOJ-SFHVURJKSA-N 0 0 495.603 4.514 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@H]1CCNC(=O)OC(C)(C)C ZINC001437374329 1065544022 /nfs/dbraw/zinc/54/40/22/1065544022.db2.gz GXVPOHDUOVOLTJ-HIFRSBDPSA-N 0 0 455.386 4.797 20 0 JJADRN Cc1c2cccc(C)c2oc1CN(C)C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC001437375893 1065544140 /nfs/dbraw/zinc/54/41/40/1065544140.db2.gz ZHRNNHSFFOEZKM-UHFFFAOYSA-N 0 0 453.340 4.973 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N(C)CCOc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360554698 1065545101 /nfs/dbraw/zinc/54/51/01/1065545101.db2.gz MLYPNVGFQZIWAG-INIZCTEOSA-N 0 0 464.010 4.580 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360554220 1065545257 /nfs/dbraw/zinc/54/52/57/1065545257.db2.gz HIPGHMVBYRIZBL-ZWKOTPCHSA-N 0 0 457.644 4.687 20 0 JJADRN C[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001437382279 1065545352 /nfs/dbraw/zinc/54/53/52/1065545352.db2.gz RGJHWQHSBLAVAE-QFBILLFUSA-N 0 0 453.421 4.924 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360554218 1065545358 /nfs/dbraw/zinc/54/53/58/1065545358.db2.gz HIPGHMVBYRIZBL-ROUUACIJSA-N 0 0 457.644 4.687 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001437380560 1065545648 /nfs/dbraw/zinc/54/56/48/1065545648.db2.gz MKUQQTGBDXZNBA-QGZVFWFLSA-N 0 0 450.304 4.588 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360555454 1065545748 /nfs/dbraw/zinc/54/57/48/1065545748.db2.gz VQUTWQRFWMQAHJ-DLBZAZTESA-N 0 0 476.021 4.722 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)c2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360554941 1065545834 /nfs/dbraw/zinc/54/58/34/1065545834.db2.gz QCGSFVLAMCOAFF-SFHVURJKSA-N 0 0 467.614 4.510 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360554962 1065545888 /nfs/dbraw/zinc/54/58/88/1065545888.db2.gz QLKNATQRDVUHAX-HKUYNNGSSA-N 0 0 473.593 4.598 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001437385398 1065546003 /nfs/dbraw/zinc/54/60/03/1065546003.db2.gz FAZSJUDWIWKJGR-JOCHJYFZSA-N 0 0 459.631 4.732 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Oc1ccc(NC(=O)OC(C)C)cc1Cl)c1c(F)cccc1F ZINC001437399483 1065547313 /nfs/dbraw/zinc/54/73/13/1065547313.db2.gz UZBPBYSPBHSETE-KRWDZBQOSA-N 0 0 454.857 4.748 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CCC(OCc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360558061 1065547370 /nfs/dbraw/zinc/54/73/70/1065547370.db2.gz KJQXOXWCQIEPSM-FQEVSTJZSA-N 0 0 483.657 4.987 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCC(OCc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360558062 1065547610 /nfs/dbraw/zinc/54/76/10/1065547610.db2.gz KJQXOXWCQIEPSM-HXUWFJFHSA-N 0 0 483.657 4.987 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC001437412475 1065547938 /nfs/dbraw/zinc/54/79/38/1065547938.db2.gz NZQIIOREQRMRQS-CLOONOSVSA-N 0 0 458.599 4.501 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001437410041 1065547948 /nfs/dbraw/zinc/54/79/48/1065547948.db2.gz JWRKZKQEZOSXLM-XUVXKRRUSA-N 0 0 459.384 4.996 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)c1 ZINC001437408810 1065547977 /nfs/dbraw/zinc/54/79/77/1065547977.db2.gz CRWZTMQVJHKYRQ-RUZDIDTESA-N 0 0 458.599 4.583 20 0 JJADRN CC[C@H]1COC(C)(C)CN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001437410699 1065547985 /nfs/dbraw/zinc/54/79/85/1065547985.db2.gz JAXUURYXVIFPNB-SFHVURJKSA-N 0 0 458.484 4.983 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360558490 1065548143 /nfs/dbraw/zinc/54/81/43/1065548143.db2.gz QZQIIMLJSGHCPV-LJQANCHMSA-N 0 0 468.646 4.564 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360559082 1065548591 /nfs/dbraw/zinc/54/85/91/1065548591.db2.gz WEWBHPXKLJYWMJ-RTBURBONSA-N 0 0 486.636 4.655 20 0 JJADRN CC(C)c1cccc(NC(=O)COC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1 ZINC001437412732 1065548606 /nfs/dbraw/zinc/54/86/06/1065548606.db2.gz OJSJARFYTDGUSW-OAQYLSRUSA-N 0 0 458.530 4.739 20 0 JJADRN Cc1cccc2nc(CCNC(=O)c3ccc(COc4ccc(Br)cc4)o3)cn21 ZINC001437417411 1065549273 /nfs/dbraw/zinc/54/92/73/1065549273.db2.gz QZSAUKQPKKRBBP-UHFFFAOYSA-N 0 0 454.324 4.550 20 0 JJADRN O=C([C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1CCS[C@@H](c2ccccc2)C1 ZINC001437420009 1065549790 /nfs/dbraw/zinc/54/97/90/1065549790.db2.gz AQKIGYFHHGRIBM-NHCUHLMSSA-N 0 0 451.419 4.683 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360559711 1065549813 /nfs/dbraw/zinc/54/98/13/1065549813.db2.gz LTTYIFMTYQGGTR-MOPGFXCFSA-N 0 0 487.620 4.988 20 0 JJADRN C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(Br)s1 ZINC001437421699 1065550236 /nfs/dbraw/zinc/55/02/36/1065550236.db2.gz JGJSWRONUYBIOL-YRVVQQKDSA-N 0 0 457.434 4.768 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360560000 1065550336 /nfs/dbraw/zinc/55/03/36/1065550336.db2.gz PPKYODROBFKIKV-VQIMIIECSA-N 0 0 462.019 4.949 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1nccs1 ZINC001360560348 1065550866 /nfs/dbraw/zinc/55/08/66/1065550866.db2.gz VGEJLFZKJZATCE-XOBRGWDASA-N 0 0 457.566 4.726 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001360560350 1065550928 /nfs/dbraw/zinc/55/09/28/1065550928.db2.gz VHBAQMDTGYMPSF-LPHOPBHVSA-N 0 0 462.520 4.712 20 0 JJADRN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)n1 ZINC001437426382 1065551289 /nfs/dbraw/zinc/55/12/89/1065551289.db2.gz ZIVZMLWTVPXINN-JXFKEZNVSA-N 0 0 454.571 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCOc4cc(Br)ccc43)cc2C1 ZINC001437436531 1065551648 /nfs/dbraw/zinc/55/16/48/1065551648.db2.gz MCAIVYAUCNDNHB-UHFFFAOYSA-N 0 0 459.340 4.739 20 0 JJADRN COCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C(F)(F)F ZINC001437436441 1065551980 /nfs/dbraw/zinc/55/19/80/1065551980.db2.gz KKBSWPVRROTYPM-UHFFFAOYSA-N 0 0 456.411 4.621 20 0 JJADRN CC[C@@](C)(NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1nccs1 ZINC001360560971 1065552101 /nfs/dbraw/zinc/55/21/01/1065552101.db2.gz NHLFQYQJFUEZFU-HSZRJFAPSA-N 0 0 452.605 4.722 20 0 JJADRN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001437440932 1065552289 /nfs/dbraw/zinc/55/22/89/1065552289.db2.gz IFCUTFGYWFUFFB-IAGOWNOFSA-N 0 0 458.605 4.629 20 0 JJADRN C[C@]1(CCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C[C@]1(F)Cl ZINC001437442858 1065553077 /nfs/dbraw/zinc/55/30/77/1065553077.db2.gz YZJRBYHJQZDACS-VQTJNVASSA-N 0 0 454.771 4.948 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001437444897 1065553091 /nfs/dbraw/zinc/55/30/91/1065553091.db2.gz VDLTUWHGFKONFE-KNQAVFIVSA-N 0 0 458.599 4.626 20 0 JJADRN COc1ccc(C(=O)N[C@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1N1CCNC1=O ZINC001437450150 1065554148 /nfs/dbraw/zinc/55/41/48/1065554148.db2.gz WOWLDWAJENPAHH-RTBURBONSA-N 0 0 459.546 4.856 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)c1nccs1 ZINC001360563903 1065554593 /nfs/dbraw/zinc/55/45/93/1065554593.db2.gz LFPHNDYNMYTOOO-UKRRQHHQSA-N 0 0 469.508 4.837 20 0 JJADRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1)Oc1cccc(F)c1 ZINC001360564244 1065555076 /nfs/dbraw/zinc/55/50/76/1065555076.db2.gz MWNWCCBWJLYUPC-CABCVRRESA-N 0 0 495.418 4.849 20 0 JJADRN CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)CN2c3ccccc3OC(F)(F)C2=O)cc1 ZINC001437462151 1065555566 /nfs/dbraw/zinc/55/55/66/1065555566.db2.gz MKWWEPFFECCTNU-RUZDIDTESA-N 0 0 456.533 4.926 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1)Oc1ccc(F)cc1 ZINC001360564968 1065555556 /nfs/dbraw/zinc/55/55/56/1065555556.db2.gz UCYBKPOYKVCXBU-MOPGFXCFSA-N 0 0 473.593 4.599 20 0 JJADRN O=C(N[C@@H]1CSCc2ccc(Br)cc21)C1(c2cccc(F)c2)CCOCC1 ZINC001437462828 1065556128 /nfs/dbraw/zinc/55/61/28/1065556128.db2.gz PQIQKNUSPOGDSV-LJQANCHMSA-N 0 0 450.373 4.741 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C)Oc1ccccc1F ZINC001360565601 1065556123 /nfs/dbraw/zinc/55/61/23/1065556123.db2.gz YRNQOTCXYNPXQJ-AQNXPRMDSA-N 0 0 487.620 4.988 20 0 JJADRN 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C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCc1ccc(I)s1 ZINC001360567364 1065558413 /nfs/dbraw/zinc/55/84/13/1065558413.db2.gz FZQQCOQTHTYKPT-ZDUSSCGKSA-N 0 0 457.377 4.776 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC001437473967 1065558828 /nfs/dbraw/zinc/55/88/28/1065558828.db2.gz UXNXUQNEYFHJDB-RXVVDRJESA-N 0 0 454.514 4.838 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCC(F)(F)c1cccc(F)c1 ZINC001437474836 1065558884 /nfs/dbraw/zinc/55/88/84/1065558884.db2.gz VPCVZRBJOIIMSK-DBBZSVRUSA-N 0 0 450.888 4.782 20 0 JJADRN C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCc2ccccc2C1 ZINC001360567739 1065559104 /nfs/dbraw/zinc/55/91/04/1065559104.db2.gz RPWFCGGXVIXXIK-XMMPIXPASA-N 0 0 455.396 4.821 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCCN(C)c1ccccc1F ZINC001545907141 1065559345 /nfs/dbraw/zinc/55/93/45/1065559345.db2.gz AWDAMLDMQFJPSN-UGKGYDQZSA-N 0 0 470.637 4.631 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 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RTDZQIAGXLQSAG-GOSISDBHSA-N 0 0 451.594 4.680 20 0 JJADRN C[C@H]1CC(CNC(=O)c2cc(Br)cc(I)c2)C[C@H](C)C1 ZINC001437508915 1065564119 /nfs/dbraw/zinc/56/41/19/1065564119.db2.gz HZAYYUOANHIJDY-GHMZBOCLSA-N 0 0 450.158 4.856 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)CCC2 ZINC001437506071 1065564220 /nfs/dbraw/zinc/56/42/20/1065564220.db2.gz GLZWZJXYYDNZDT-HXUWFJFHSA-N 0 0 452.551 4.979 20 0 JJADRN Cc1c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cnn1-c1cccc(C)c1 ZINC001437510749 1065564713 /nfs/dbraw/zinc/56/47/13/1065564713.db2.gz YYJDLFMNYBMMBZ-HTAPYJJXSA-N 0 0 454.368 4.854 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001437513100 1065565316 /nfs/dbraw/zinc/56/53/16/1065565316.db2.gz UTLRTLZXAIIMPB-MJXNMMHHSA-N 0 0 452.295 4.838 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)Oc1cccc(F)c1 ZINC001360571529 1065565596 /nfs/dbraw/zinc/56/55/96/1065565596.db2.gz XJSZWKSCDLFATN-SFHVURJKSA-N 0 0 454.594 4.591 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001360572105 1065565731 /nfs/dbraw/zinc/56/57/31/1065565731.db2.gz SHVPIMZEYBYSIH-UHFFFAOYSA-N 0 0 455.576 4.850 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCc1csc(C(C)C)n1 ZINC001545907476 1065566104 /nfs/dbraw/zinc/56/61/04/1065566104.db2.gz JMBMUIUIBWBEAJ-PXNSSMCTSA-N 0 0 458.676 4.788 20 0 JJADRN C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1nccs1 ZINC001360572883 1065566131 /nfs/dbraw/zinc/56/61/31/1065566131.db2.gz APPZZIFJCUVACB-MZNJEOGPSA-N 0 0 457.619 4.910 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360572975 1065566670 /nfs/dbraw/zinc/56/66/70/1065566670.db2.gz CBOZYSJUONFOSD-IAGOWNOFSA-N 0 0 463.479 4.649 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)n1 ZINC001437526718 1065567260 /nfs/dbraw/zinc/56/72/60/1065567260.db2.gz GMNRFSQWJYHQNY-ZDUSSCGKSA-N 0 0 454.474 4.977 20 0 JJADRN C[C@H](CN(C)c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1F)c1nccs1 ZINC001360573368 1065567321 /nfs/dbraw/zinc/56/73/21/1065567321.db2.gz KULFVKDUWVEBST-MSOLQXFVSA-N 0 0 466.586 4.567 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)c(C)nn3-c3ccccc3)o2)cc1 ZINC001437528096 1065567554 /nfs/dbraw/zinc/56/75/54/1065567554.db2.gz ALTLNGYMOIZQOM-UHFFFAOYSA-N 0 0 455.927 4.624 20 0 JJADRN O=C(c1nc(-c2ccccc2)cs1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437528036 1065567605 /nfs/dbraw/zinc/56/76/05/1065567605.db2.gz WVIANVJWSRFOSD-AEFFLSMTSA-N 0 0 451.514 4.606 20 0 JJADRN O=C(Nc1nc(Br)cc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001437527737 1065567767 /nfs/dbraw/zinc/56/77/67/1065567767.db2.gz QIJUNLQTCNZMNR-MRXNPFEDSA-N 0 0 456.315 4.627 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360573850 1065567828 /nfs/dbraw/zinc/56/78/28/1065567828.db2.gz UPRHSNZIRCBMKN-IBGZPJMESA-N 0 0 468.602 4.527 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c1Cl ZINC001437528461 1065568107 /nfs/dbraw/zinc/56/81/07/1065568107.db2.gz BOXCTBLIKBJZHN-OAHLLOKOSA-N 0 0 459.731 4.661 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Nc2nc(Br)cc3ccccc32)n1 ZINC001437529299 1065568272 /nfs/dbraw/zinc/56/82/72/1065568272.db2.gz WPJOEZCSNDPGAQ-UHFFFAOYSA-N 0 0 450.134 4.926 20 0 JJADRN CCc1c(C(=O)N(Cc2ccc(OC)cc2)CC(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC001437530009 1065568384 /nfs/dbraw/zinc/56/83/84/1065568384.db2.gz FZVOBKFXKPGWDI-UHFFFAOYSA-N 0 0 452.864 4.696 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCSC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001360573960 1065568246 /nfs/dbraw/zinc/56/82/46/1065568246.db2.gz WOCWZAUZHFSECT-KRWDZBQOSA-N 0 0 458.031 4.717 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360574101 1065568275 /nfs/dbraw/zinc/56/82/75/1065568275.db2.gz ZGQXTVWOCLQDKX-NZQKXSOJSA-N 0 0 476.625 4.513 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360574103 1065568334 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ZINC001437620214 1065585276 /nfs/dbraw/zinc/58/52/76/1065585276.db2.gz JYQXWXOZKANNHF-SFHVURJKSA-N 0 0 456.258 4.603 20 0 JJADRN O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001360585737 1065585399 /nfs/dbraw/zinc/58/53/99/1065585399.db2.gz QOLPEJZMWCMJBI-UHFFFAOYSA-N 0 0 450.441 4.563 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)CN1CCc2ccccc2C1=O)C(F)(F)F ZINC001437619972 1065585463 /nfs/dbraw/zinc/58/54/63/1065585463.db2.gz JYQXWXOZKANNHF-GOSISDBHSA-N 0 0 456.258 4.603 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1F ZINC001360585160 1065585570 /nfs/dbraw/zinc/58/55/70/1065585570.db2.gz VEBPYYHZWWIIEY-QGZVFWFLSA-N 0 0 456.901 4.663 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)c1cccc(N2CCNC2=O)c1)C(F)(F)F ZINC001437624164 1065586018 /nfs/dbraw/zinc/58/60/18/1065586018.db2.gz UMNQGEBMSIBLKH-MRXNPFEDSA-N 0 0 457.246 4.748 20 0 JJADRN C[C@H](Cn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)c1nccs1 ZINC001360586276 1065585962 /nfs/dbraw/zinc/58/59/62/1065585962.db2.gz CKWLRVDCXKBPOX-CABCVRRESA-N 0 0 467.565 4.893 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1cccc(OC(F)(F)F)c1 ZINC001437629785 1065586585 /nfs/dbraw/zinc/58/65/85/1065586585.db2.gz ZOMJLPQVBBSGFD-UHFFFAOYSA-N 0 0 455.601 4.773 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360586421 1065587237 /nfs/dbraw/zinc/58/72/37/1065587237.db2.gz DWUMEYLPFFKCSH-PKOBYXMFSA-N 0 0 459.610 4.964 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3cccs3)n2)CO1 ZINC001437644424 1065587757 /nfs/dbraw/zinc/58/77/57/1065587757.db2.gz ULBMMCFEPLXRGM-SFHVURJKSA-N 0 0 455.605 4.596 20 0 JJADRN C[C@@H](Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360586980 1065587718 /nfs/dbraw/zinc/58/77/18/1065587718.db2.gz KRVCKNVKJQLGSI-ROUUACIJSA-N 0 0 475.609 4.676 20 0 JJADRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001545908402 1065588393 /nfs/dbraw/zinc/58/83/93/1065588393.db2.gz GMWXXBDOBNWCAD-VQROGVPDSA-N 0 0 470.560 4.998 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCS[C@H]1C(F)(F)F ZINC001437662144 1065589145 /nfs/dbraw/zinc/58/91/45/1065589145.db2.gz CYZSGANSSVRYTF-JTQLQIEISA-N 0 0 456.054 4.675 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1)Oc1ccccc1 ZINC001360587427 1065589319 /nfs/dbraw/zinc/58/93/19/1065589319.db2.gz MZOFGQSHYMCPPM-JRSUCEMESA-N 0 0 469.630 4.609 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1nccs1 ZINC001360587475 1065589354 /nfs/dbraw/zinc/58/93/54/1065589354.db2.gz NJCQSXRYOGWGFD-JKSUJKDBSA-N 0 0 491.086 4.576 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)c1cncc3ccccc31)CN(C(=O)OC(C)(C)C)C2 ZINC001437666119 1065589813 /nfs/dbraw/zinc/58/98/13/1065589813.db2.gz VPIYOCYJONADAE-UHFFFAOYSA-N 0 0 453.520 4.586 20 0 JJADRN C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1)c1nccs1 ZINC001360587783 1065589802 /nfs/dbraw/zinc/58/98/02/1065589802.db2.gz PMEYVLYTJMEFHV-MRXNPFEDSA-N 0 0 474.059 4.817 20 0 JJADRN C[C@H](Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360587760 1065589890 /nfs/dbraw/zinc/58/98/90/1065589890.db2.gz TWQUHIWEQWSTRV-GOSISDBHSA-N 0 0 495.089 4.634 20 0 JJADRN CCOc1cccc(CCC(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1 ZINC001437685518 1065590813 /nfs/dbraw/zinc/59/08/13/1065590813.db2.gz IBZJZYVBSHEDMZ-QHCPKHFHSA-N 0 0 454.567 4.965 20 0 JJADRN O=C(Nc1c(Br)ncc2ccccc21)c1ccc2cncc(Br)c2n1 ZINC001437671830 1065590853 /nfs/dbraw/zinc/59/08/53/1065590853.db2.gz VSFKBFWBAPWBCJ-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)cc2)C1 ZINC001437685516 1065590888 /nfs/dbraw/zinc/59/08/88/1065590888.db2.gz IAOGJWLGPUTHIT-XQXKNUKBSA-N 0 0 456.583 4.719 20 0 JJADRN C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360588030 1065591050 /nfs/dbraw/zinc/59/10/50/1065591050.db2.gz WNRILDUXIAHJGJ-AZUAARDMSA-N 0 0 465.602 4.673 20 0 JJADRN C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360588031 1065591119 /nfs/dbraw/zinc/59/11/19/1065591119.db2.gz WNRILDUXIAHJGJ-ICSRJNTNSA-N 0 0 465.602 4.673 20 0 JJADRN C[C@H](Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360588265 1065591683 /nfs/dbraw/zinc/59/16/83/1065591683.db2.gz ZFAKHRXGKSNKOD-HXUWFJFHSA-N 0 0 485.648 4.801 20 0 JJADRN Cc1ccc(C(F)(F)F)c(NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)c1 ZINC001437691256 1065591917 /nfs/dbraw/zinc/59/19/17/1065591917.db2.gz FSXWNPXIWAGOBC-UHFFFAOYSA-N 0 0 450.276 4.741 20 0 JJADRN C[C@H](Cn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360588555 1065592255 /nfs/dbraw/zinc/59/22/55/1065592255.db2.gz YTRRENZDOKQAQB-UXHICEINSA-N 0 0 465.671 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C12CCC2 ZINC001437693328 1065592642 /nfs/dbraw/zinc/59/26/42/1065592642.db2.gz GMJJGJMFMVXLBD-BQFCYCMXSA-N 0 0 454.489 4.737 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001360588573 1065592695 /nfs/dbraw/zinc/59/26/95/1065592695.db2.gz ZBPDVXUCMWCRRZ-RTBURBONSA-N 0 0 473.637 4.559 20 0 JJADRN Cc1c(NC(=O)c2ccc(COc3ccccc3)cc2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588991 1065593221 /nfs/dbraw/zinc/59/32/21/1065593221.db2.gz NRXDETGKYLQOFI-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN Cc1c(NC(=O)c2cc(Cl)cc(Br)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360589033 1065593366 /nfs/dbraw/zinc/59/33/66/1065593366.db2.gz PUOMLUPTRSLBSB-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)cc1OCCC(C)C ZINC001360588686 1065593461 /nfs/dbraw/zinc/59/34/61/1065593461.db2.gz CFMOLOLQXMTHKR-UHFFFAOYSA-N 0 0 454.386 4.838 20 0 JJADRN C/C=C\c1ccc(OCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001437697022 1065593423 /nfs/dbraw/zinc/59/34/23/1065593423.db2.gz PUBRUZCZZOYJAG-DRORMQMMSA-N 0 0 456.542 4.621 20 0 JJADRN CCC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)cc1 ZINC001437705433 1065593760 /nfs/dbraw/zinc/59/37/60/1065593760.db2.gz QVIADBJNEVDKNI-IBGZPJMESA-N 0 0 459.340 4.782 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)nc1 ZINC001437713575 1065595123 /nfs/dbraw/zinc/59/51/23/1065595123.db2.gz GBUBTOVENSYODV-SQHAQQRYSA-N 0 0 455.602 4.964 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)ccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360590182 1065595182 /nfs/dbraw/zinc/59/51/82/1065595182.db2.gz FGXIYZHTCQUQCV-OXJNMPFZSA-N 0 0 476.021 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)(c2ccccc2)C1 ZINC001437720598 1065595948 /nfs/dbraw/zinc/59/59/48/1065595948.db2.gz GLNODSJRCPCLPR-PBDKAQRYSA-N 0 0 456.627 4.808 20 0 JJADRN O=C(c1cnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001437730827 1065596419 /nfs/dbraw/zinc/59/64/19/1065596419.db2.gz HSGOTHAPGXNIKC-GOSISDBHSA-N 0 0 455.358 4.522 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N(CCC(F)(F)F)CC1CC1)Oc1ccc(F)cc1 ZINC001360590896 1065596760 /nfs/dbraw/zinc/59/67/60/1065596760.db2.gz SJGQYKBXQCHHRS-DNVCBOLYSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(CCC(F)(F)F)CC1CC1)Oc1ccc(F)cc1 ZINC001360590897 1065596812 /nfs/dbraw/zinc/59/68/12/1065596812.db2.gz SJGQYKBXQCHHRS-HNAYVOBHSA-N 0 0 456.484 4.905 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001437732787 1065597203 /nfs/dbraw/zinc/59/72/03/1065597203.db2.gz ONLYJYKAHBJMDO-GOSISDBHSA-N 0 0 451.748 4.500 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCSC1)Oc1ccccc1F ZINC001360590907 1065597441 /nfs/dbraw/zinc/59/74/41/1065597441.db2.gz SKJUWSDFZLYRJR-XKGFGPFHSA-N 0 0 462.635 4.745 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)C2)c1 ZINC001437739027 1065597744 /nfs/dbraw/zinc/59/77/44/1065597744.db2.gz ZASMQFQTXXVCCD-QHCPKHFHSA-N 0 0 454.368 4.756 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)C2)c1 ZINC001437739023 1065597801 /nfs/dbraw/zinc/59/78/01/1065597801.db2.gz ZASMQFQTXXVCCD-HSZRJFAPSA-N 0 0 454.368 4.756 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccco1)N(C)c1ccccc1 ZINC001360591213 1065597939 /nfs/dbraw/zinc/59/79/39/1065597939.db2.gz YUFOODKIRXUYOK-WWPVKYPJSA-N 0 0 451.615 4.951 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC001437744465 1065598910 /nfs/dbraw/zinc/59/89/10/1065598910.db2.gz OQPQCQOUBOLCCN-DHIUTWEWSA-N 0 0 456.558 4.845 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C)c1ccc(F)cc1F ZINC001437746299 1065599302 /nfs/dbraw/zinc/59/93/02/1065599302.db2.gz NSTQJCKKHNHPNL-SFTDATJTSA-N 0 0 450.913 4.564 20 0 JJADRN CCCOc1ccc(OCC(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1 ZINC001437771302 1065603642 /nfs/dbraw/zinc/60/36/42/1065603642.db2.gz RMKVPYRFERZCBM-UHFFFAOYSA-N 0 0 454.567 4.858 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1cnn(-c3ccccc3F)c1)CCC2 ZINC001437772409 1065603775 /nfs/dbraw/zinc/60/37/75/1065603775.db2.gz UKFQXHAUXXENDL-UHFFFAOYSA-N 0 0 450.514 4.629 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@@H]1c1cccc(C)c1 ZINC001437788241 1065605360 /nfs/dbraw/zinc/60/53/60/1065605360.db2.gz CQMFQTSMZZEEPY-GMAHTHKFSA-N 0 0 451.567 4.915 20 0 JJADRN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cccnc1Sc1ccc(Br)cc1 ZINC001437788248 1065605428 /nfs/dbraw/zinc/60/54/28/1065605428.db2.gz CVFOUQTXACQIMY-QAPCUYQASA-N 0 0 455.324 4.539 20 0 JJADRN CN1CCc2c(NC(=O)CCc3cc(C(F)(F)F)ccc3Br)cccc2C1=O ZINC001437788515 1065606160 /nfs/dbraw/zinc/60/61/60/1065606160.db2.gz BEIDXKYEUQZFNS-UHFFFAOYSA-N 0 0 455.274 4.667 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1F ZINC001437790802 1065606763 /nfs/dbraw/zinc/60/67/63/1065606763.db2.gz DTCKTDKYBRFJRG-OAHLLOKOSA-N 0 0 459.905 4.533 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437791109 1065606884 /nfs/dbraw/zinc/60/68/84/1065606884.db2.gz KFJGYLHKPSQLPL-CRAIPNDOSA-N 0 0 479.984 4.605 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(C(F)F)cc3)cc2)CC1 ZINC001360595754 1065607444 /nfs/dbraw/zinc/60/74/44/1065607444.db2.gz FFANWORHKIUUQJ-UHFFFAOYSA-N 0 0 458.505 4.611 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC[C@@H]3C(=O)Nc3cc(C)ccc3OC)c2)c(C)c1 ZINC001360595721 1065607655 /nfs/dbraw/zinc/60/76/55/1065607655.db2.gz DECREYWCNXJSBD-XMMPIXPASA-N 0 0 459.546 4.626 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC001360595948 1065608431 /nfs/dbraw/zinc/60/84/31/1065608431.db2.gz LDHYWKXUXKCTSR-QGZVFWFLSA-N 0 0 457.324 4.756 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c2cnn(C(C)C)c2n1 ZINC001437793551 1065608449 /nfs/dbraw/zinc/60/84/49/1065608449.db2.gz JRKRVTYDFGIJKY-DYESRHJHSA-N 0 0 457.619 4.866 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)nnn1-c1ccc(F)c(Cl)c1 ZINC001437794314 1065608550 /nfs/dbraw/zinc/60/85/50/1065608550.db2.gz XCDZAIHFOXIFNQ-UHFFFAOYSA-N 0 0 459.909 4.992 20 0 JJADRN C[C@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)O1 ZINC001437792653 1065608563 /nfs/dbraw/zinc/60/85/63/1065608563.db2.gz GXLLUTLOGUNKGO-ONGXEEELSA-N 0 0 452.811 4.565 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)COC(c1ccccc1)c1ccccc1 ZINC001360596403 1065609124 /nfs/dbraw/zinc/60/91/24/1065609124.db2.gz ZRJGWZHZECOADH-XMMPIXPASA-N 0 0 458.558 4.739 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437795965 1065609265 /nfs/dbraw/zinc/60/92/65/1065609265.db2.gz XIPBARYDBFMBCT-XXBNENTESA-N 0 0 465.594 4.729 20 0 JJADRN CCn1c(SCC(=O)NCCc2cn(C)c3ccccc23)nnc1-c1ccc(Cl)cc1 ZINC001437795388 1065609333 /nfs/dbraw/zinc/60/93/33/1065609333.db2.gz RLTYZHCCWKGUBZ-UHFFFAOYSA-N 0 0 453.999 4.561 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc(COc3ccccc3F)on2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437795989 1065609398 /nfs/dbraw/zinc/60/93/98/1065609398.db2.gz XKYQAGJRBHEXTB-DYESRHJHSA-N 0 0 475.561 4.938 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1F ZINC001437800200 1065610814 /nfs/dbraw/zinc/61/08/14/1065610814.db2.gz YBUQKRDUCWAPAR-QGZVFWFLSA-N 0 0 459.477 4.871 20 0 JJADRN Cc1c(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cnn1-c1cccc(Br)c1 ZINC001437798665 1065610848 /nfs/dbraw/zinc/61/08/48/1065610848.db2.gz OCSHSZPXQBHRHF-IEBWSBKVSA-N 0 0 480.284 4.608 20 0 JJADRN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cn1 ZINC001437800934 1065610939 /nfs/dbraw/zinc/61/09/39/1065610939.db2.gz XJDFUVFEARKJNT-JXFKEZNVSA-N 0 0 455.356 4.511 20 0 JJADRN C[C@H](NC(=O)[C@H](c1ccccc1)N1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813360 1065613285 /nfs/dbraw/zinc/61/32/85/1065613285.db2.gz SYCZNVFDFZDYCT-DJJJIMSYSA-N 0 0 455.368 4.695 20 0 JJADRN C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813377 1065613311 /nfs/dbraw/zinc/61/33/11/1065613311.db2.gz SYCZNVFDFZDYCT-YJYMSZOUSA-N 0 0 455.368 4.695 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC001360597501 1065613944 /nfs/dbraw/zinc/61/39/44/1065613944.db2.gz MAWLTOJFHCKVGE-GOSISDBHSA-N 0 0 456.633 4.983 20 0 JJADRN COC(=O)[C@@]1(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCc2cc(Br)ccc2C1 ZINC001437815457 1065614366 /nfs/dbraw/zinc/61/43/66/1065614366.db2.gz IPXLFCYXODRGIN-ROMRWMGNSA-N 0 0 456.380 4.550 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CCCC(C)(C)C1 ZINC001437827736 1065616703 /nfs/dbraw/zinc/61/67/03/1065616703.db2.gz IPZKHSLPKBUONU-QGZVFWFLSA-N 0 0 452.267 4.590 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(F)cc1F ZINC001437836877 1065616818 /nfs/dbraw/zinc/61/68/18/1065616818.db2.gz DIWUYYKRWZVOSC-HXUWFJFHSA-N 0 0 452.436 4.625 20 0 JJADRN CCOC(=O)c1ccc(Cl)c(OC)c1NC(=O)c1cc(Br)c(C)cc1OC ZINC001437838629 1065617723 /nfs/dbraw/zinc/61/77/23/1065617723.db2.gz BPYWELCZFBLALE-UHFFFAOYSA-N 0 0 456.720 4.857 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)c1 ZINC001437845278 1065619107 /nfs/dbraw/zinc/61/91/07/1065619107.db2.gz QAKDKAGQDCXOQO-IEGUWTFLSA-N 0 0 477.026 4.505 20 0 JJADRN O=C(N[C@H]1CCCSc2ccc(Br)cc21)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001437845514 1065619172 /nfs/dbraw/zinc/61/91/72/1065619172.db2.gz DCNRSUASVGFRBA-DOMZBBRYSA-N 0 0 451.352 4.767 20 0 JJADRN CSc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)ncn1 ZINC001437851340 1065620022 /nfs/dbraw/zinc/62/00/22/1065620022.db2.gz ABHOZDDHYXIUPZ-UHFFFAOYSA-N 0 0 459.314 4.558 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@@H]1CCCSc2ccc(Br)cc21)N1CCCCC1=O ZINC001437849548 1065620030 /nfs/dbraw/zinc/62/00/30/1065620030.db2.gz NAOBEWOLGNUHEK-QZTJIDSGSA-N 0 0 453.446 4.920 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2Cl)c(OCC(F)F)c1 ZINC001437854555 1065620921 /nfs/dbraw/zinc/62/09/21/1065620921.db2.gz ZKDDZGAZXHFPFO-UHFFFAOYSA-N 0 0 450.825 4.580 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C)nc3)c2)c(OCC(F)F)c1 ZINC001437854308 1065621052 /nfs/dbraw/zinc/62/10/52/1065621052.db2.gz WUDMHOVUAMCMQA-UHFFFAOYSA-N 0 0 456.445 4.652 20 0 JJADRN O=C(OCc1cccc(F)c1OC(F)F)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001437860508 1065621554 /nfs/dbraw/zinc/62/15/54/1065621554.db2.gz VDNFYWOPTDFPTB-UHFFFAOYSA-N 0 0 450.434 4.758 20 0 JJADRN Cc1ncccc1[C@@H](C)OC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001437866199 1065621617 /nfs/dbraw/zinc/62/16/17/1065621617.db2.gz WBYXNOFPSFHRBL-OAHLLOKOSA-N 0 0 452.370 4.543 20 0 JJADRN CC[C@@H](C)n1nccc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001360600414 1065622431 /nfs/dbraw/zinc/62/24/31/1065622431.db2.gz DJDGVQDEWRWJPT-OAHLLOKOSA-N 0 0 455.356 4.799 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CO1 ZINC001360600468 1065623081 /nfs/dbraw/zinc/62/30/81/1065623081.db2.gz GGSAAMPCFWCLIK-JSGCOSHPSA-N 0 0 451.869 4.747 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)c(OC)c1 ZINC001437873917 1065623192 /nfs/dbraw/zinc/62/31/92/1065623192.db2.gz PBYPLKWLZZCBDH-UHFFFAOYSA-N 0 0 458.493 4.607 20 0 JJADRN COc1cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)ccc1OC(F)F ZINC001437874353 1065623268 /nfs/dbraw/zinc/62/32/68/1065623268.db2.gz QDIODFKBXRRTFA-UHFFFAOYSA-N 0 0 454.473 4.921 20 0 JJADRN COc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)ccc1OC(F)F ZINC001437874044 1065623282 /nfs/dbraw/zinc/62/32/82/1065623282.db2.gz OIDRRWDXUHPMQR-HXUWFJFHSA-N 0 0 452.457 4.502 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[C@H]1F ZINC001437872724 1065623307 /nfs/dbraw/zinc/62/33/07/1065623307.db2.gz QCIVNCJGFFMPJY-FGZHOGPDSA-N 0 0 464.541 4.617 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cs1 ZINC001437876165 1065624280 /nfs/dbraw/zinc/62/42/80/1065624280.db2.gz KPFYVZBAFCGENB-QFIPXVFZSA-N 0 0 451.592 4.561 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001437879376 1065624331 /nfs/dbraw/zinc/62/43/31/1065624331.db2.gz QTRKJTHHUNJOQZ-JOCHJYFZSA-N 0 0 452.551 4.954 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)c1Cl ZINC001437887174 1065625172 /nfs/dbraw/zinc/62/51/72/1065625172.db2.gz WHDQZVBRQQFFDE-AWEZNQCLSA-N 0 0 450.290 4.826 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)ccc1Cl ZINC001437887154 1065625201 /nfs/dbraw/zinc/62/52/01/1065625201.db2.gz WCFDYNWMSPGRPB-KRWDZBQOSA-N 0 0 456.789 4.704 20 0 JJADRN CN(CCOc1ccccc1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)C(=O)OC(C)(C)C ZINC001437895279 1065626666 /nfs/dbraw/zinc/62/66/66/1065626666.db2.gz KQWLBFCRLGTAAA-KSEOMHKRSA-N 0 0 456.970 4.654 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC001437898891 1065627610 /nfs/dbraw/zinc/62/76/10/1065627610.db2.gz SIBFYRHVVQSDJB-NRFANRHFSA-N 0 0 457.489 4.632 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC001360602965 1065628071 /nfs/dbraw/zinc/62/80/71/1065628071.db2.gz MHXUCDHFBQONHA-UHFFFAOYSA-N 0 0 454.514 4.840 20 0 JJADRN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001360603428 1065628639 /nfs/dbraw/zinc/62/86/39/1065628639.db2.gz SJSATFCNTFOXIS-UHFFFAOYSA-N 0 0 453.564 4.856 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC001437907348 1065629260 /nfs/dbraw/zinc/62/92/60/1065629260.db2.gz NLCJMWGIOKJVCO-UHFFFAOYSA-N 0 0 457.262 4.770 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)CCCC2)c1 ZINC001437905665 1065629337 /nfs/dbraw/zinc/62/93/37/1065629337.db2.gz GPVGJUPTCAYQPU-HSZRJFAPSA-N 0 0 453.579 4.528 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)NCC(F)(F)c2ccc(Br)cc2)n1 ZINC001437907389 1065629972 /nfs/dbraw/zinc/62/99/72/1065629972.db2.gz NUYXUWJXTPZFIG-UHFFFAOYSA-N 0 0 451.109 4.511 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CCc1cccs1 ZINC001545910777 1065630125 /nfs/dbraw/zinc/63/01/25/1065630125.db2.gz JHVMLCRVIFFPHD-LJQANCHMSA-N 0 0 458.657 4.607 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1Cc1ccc(C)s1 ZINC001545910886 1065630975 /nfs/dbraw/zinc/63/09/75/1065630975.db2.gz MRUNKTQMCGJBPM-LJQANCHMSA-N 0 0 458.657 4.721 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC001437917732 1065631019 /nfs/dbraw/zinc/63/10/19/1065631019.db2.gz KTYYLEJKJNUKFI-UIOOFZCWSA-N 0 0 462.615 4.889 20 0 JJADRN Cc1ccc(CN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C(C)(C)C)cc1 ZINC001437933097 1065632482 /nfs/dbraw/zinc/63/24/82/1065632482.db2.gz SWSRVZZNMMDYPZ-UHFFFAOYSA-N 0 0 455.603 4.599 20 0 JJADRN CC(C)(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001437931836 1065632636 /nfs/dbraw/zinc/63/26/36/1065632636.db2.gz PRDFTQHRGQYHHK-LJQANCHMSA-N 0 0 458.400 4.524 20 0 JJADRN Cc1c(C(=O)Nc2nnc(/C=C\c3ccco3)s2)cnn1-c1ccc(Br)cc1 ZINC001437931745 1065632677 /nfs/dbraw/zinc/63/26/77/1065632677.db2.gz IOIJBRBSIVHRPC-HJWRWDBZSA-N 0 0 456.325 4.810 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC(F)(F)F ZINC001360606834 1065632698 /nfs/dbraw/zinc/63/26/98/1065632698.db2.gz GLBPGJIRLFEHGA-CYBMUJFWSA-N 0 0 461.916 4.758 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)cc1 ZINC001437942141 1065633648 /nfs/dbraw/zinc/63/36/48/1065633648.db2.gz CXMJYENSUJBPTK-UHFFFAOYSA-N 0 0 453.745 4.697 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360607402 1065633739 /nfs/dbraw/zinc/63/37/39/1065633739.db2.gz JIXWVFCGJMLHSZ-RBUKOAKNSA-N 0 0 494.640 4.658 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N(C)OC1CCCC1 ZINC001360607759 1065634390 /nfs/dbraw/zinc/63/43/90/1065634390.db2.gz KLJQOBXTIAHVSN-SFHVURJKSA-N 0 0 480.613 4.965 20 0 JJADRN C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1cccc(Cl)c1Cl ZINC001360607755 1065634451 /nfs/dbraw/zinc/63/44/51/1065634451.db2.gz IQXFKVKWLMFYBZ-VIFPVBQESA-N 0 0 450.185 4.767 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360608268 1065635327 /nfs/dbraw/zinc/63/53/27/1065635327.db2.gz OIHDBRWZJDIKOC-PXNSSMCTSA-N 0 0 478.037 4.765 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360608271 1065635367 /nfs/dbraw/zinc/63/53/67/1065635367.db2.gz OIHDBRWZJDIKOC-YLJYHZDGSA-N 0 0 478.037 4.765 20 0 JJADRN O=C(Cc1cc(Cl)cc2c1OCC2)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001437960582 1065636449 /nfs/dbraw/zinc/63/64/49/1065636449.db2.gz DBNYSXPYMVVFHF-GOSISDBHSA-N 0 0 452.801 4.973 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCCCCC1 ZINC001360608755 1065636947 /nfs/dbraw/zinc/63/69/47/1065636947.db2.gz SWNQQHNRAJVNBA-GOSISDBHSA-N 0 0 471.602 4.605 20 0 JJADRN COc1ccc(C(=O)C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1Cl ZINC001437963848 1065637009 /nfs/dbraw/zinc/63/70/09/1065637009.db2.gz SCHZLNZNGJQTGF-HNNXBMFYSA-N 0 0 454.773 4.687 20 0 JJADRN COc1ccc(COCCC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 ZINC001437964107 1065637127 /nfs/dbraw/zinc/63/71/27/1065637127.db2.gz TVSUEOUGEDZLDH-HXUWFJFHSA-N 0 0 450.398 4.758 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001360609005 1065637892 /nfs/dbraw/zinc/63/78/92/1065637892.db2.gz XNCRPNQIBRFSIK-BZUAXINKSA-N 0 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C[C@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001360631913 1065682281 /nfs/dbraw/zinc/68/22/81/1065682281.db2.gz DMRYWKZPKLCIBY-AWEZNQCLSA-N 0 0 485.341 4.768 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccccc2)CC1)C(F)(F)F ZINC001360631939 1065682370 /nfs/dbraw/zinc/68/23/70/1065682370.db2.gz FBQSXMCVJITCDY-KRWDZBQOSA-N 0 0 478.950 4.699 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)CC2)cc1 ZINC001438172058 1065685001 /nfs/dbraw/zinc/68/50/01/1065685001.db2.gz RYGDAMAQAOHSOJ-UHFFFAOYSA-N 0 0 451.567 4.685 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCC2)CC1)C(F)(F)F ZINC001360632482 1065685785 /nfs/dbraw/zinc/68/57/85/1065685785.db2.gz PSVAUULGXRQNPS-OAHLLOKOSA-N 0 0 473.490 4.810 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCC(F)(F)F)CC1)C(F)(F)F ZINC001360633070 1065686460 /nfs/dbraw/zinc/68/64/60/1065686460.db2.gz XWZDINPLSKJVQT-HNNXBMFYSA-N 0 0 488.480 4.852 20 0 JJADRN 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TYCVFLYXHXEBBZ-PHYRLJMMSA-N 0 0 450.579 4.803 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CCCc2nccs2)C1 ZINC001360642038 1065715081 /nfs/dbraw/zinc/71/50/81/1065715081.db2.gz POOXCTGTTKCWOZ-HKUYNNGSSA-N 0 0 474.675 4.765 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@@H]3C)CC2=O)cc1 ZINC001438354296 1065715268 /nfs/dbraw/zinc/71/52/68/1065715268.db2.gz ZUDQSNIHYQRMTA-DZFGPLHGSA-N 0 0 455.396 4.511 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1ccc(F)cc1I)[C@H]1CCO[C@H]1C ZINC001438356223 1065715723 /nfs/dbraw/zinc/71/57/23/1065715723.db2.gz HAHWEDZFLAOCGL-SGTLLEGYSA-N 0 0 457.258 4.702 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC2CC(F)(F)C2)C1 ZINC001360642466 1065716201 /nfs/dbraw/zinc/71/62/01/1065716201.db2.gz UGVKJBHHJXEPEE-CRAIPNDOSA-N 0 0 453.578 4.721 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)C2 ZINC001438361960 1065716330 /nfs/dbraw/zinc/71/63/30/1065716330.db2.gz GKWUSHWFHFIPKW-KXBFYZLASA-N 0 0 453.421 4.828 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2CCSC(F)(F)F)CC1 ZINC001360642572 1065716892 /nfs/dbraw/zinc/71/68/92/1065716892.db2.gz VFIAQIAGRXYVEC-CQSZACIVSA-N 0 0 477.597 4.928 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)N2CCc3cc(C)cc(Br)c3C2)[C@@H]1c1cccc(C)c1 ZINC001438363481 1065717060 /nfs/dbraw/zinc/71/70/60/1065717060.db2.gz KGZSUEBXECBYGQ-CVDCTZTESA-N 0 0 455.396 4.560 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)n1 ZINC001438371999 1065717471 /nfs/dbraw/zinc/71/74/71/1065717471.db2.gz FFYBVYYNTZPSPM-UHFFFAOYSA-N 0 0 459.266 4.846 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)CCc1nc3cc(Br)ccc3s1)CC2 ZINC001438371096 1065717538 /nfs/dbraw/zinc/71/75/38/1065717538.db2.gz CBSNYMXKEQYXNQ-UHFFFAOYSA-N 0 0 458.381 4.535 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC=CCC2)C1 ZINC001360643183 1065717894 /nfs/dbraw/zinc/71/78/94/1065717894.db2.gz YNPLNIIRRXNHSA-DOIPELPJSA-N 0 0 459.635 4.616 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)ccc1F ZINC001360643927 1065718219 /nfs/dbraw/zinc/71/82/19/1065718219.db2.gz HHMUNSYEYFKDKM-UHFFFAOYSA-N 0 0 458.511 4.825 20 0 JJADRN Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCCCC(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001438390108 1065718576 /nfs/dbraw/zinc/71/85/76/1065718576.db2.gz IYLPQDNBVXXNPN-XXBNENTESA-N 0 0 456.608 4.779 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)Nc3nc(C4CCCCCC4)cs3)n2)cc1 ZINC001438392967 1065719162 /nfs/dbraw/zinc/71/91/62/1065719162.db2.gz RSONZKBJMQSPAT-UHFFFAOYSA-N 0 0 455.584 4.748 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2CCCOc2ccccc2)CC1 ZINC001360645332 1065720462 /nfs/dbraw/zinc/72/04/62/1065720462.db2.gz HUZHVXUMIXAUHZ-HXUWFJFHSA-N 0 0 483.657 4.829 20 0 JJADRN CN(C(=O)c1cccnc1OCc1ccccc1F)c1nc2cc(Br)ccc2o1 ZINC001438455525 1065721927 /nfs/dbraw/zinc/72/19/27/1065721927.db2.gz DDENPBWACLTPQK-UHFFFAOYSA-N 0 0 456.271 4.980 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2Cl)C1 ZINC001360646955 1065722611 /nfs/dbraw/zinc/72/26/11/1065722611.db2.gz UDSKPWHSKZHYPO-HFSMHLIXSA-N 0 0 490.048 4.765 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2Cl)C1 ZINC001360646956 1065722619 /nfs/dbraw/zinc/72/26/19/1065722619.db2.gz UDSKPWHSKZHYPO-SLYNCCJLSA-N 0 0 490.048 4.765 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(COc3ccccc3F)n2CC2(C)CC2)CC1 ZINC001360646974 1065722646 /nfs/dbraw/zinc/72/26/46/1065722646.db2.gz UKWDMBKBOVOKGA-GOSISDBHSA-N 0 0 487.620 4.926 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCO1 ZINC001438461023 1065722826 /nfs/dbraw/zinc/72/28/26/1065722826.db2.gz BWAXRPWXSHOKQK-FQEVSTJZSA-N 0 0 450.398 4.930 20 0 JJADRN O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1cc(Cl)ccc1I ZINC001438477925 1065724083 /nfs/dbraw/zinc/72/40/83/1065724083.db2.gz GAIUVUUXDPZYLN-NUEKZKHPSA-N 0 0 488.550 4.775 20 0 JJADRN Cc1ccc2sc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)nc2c1C ZINC001438475718 1065724096 /nfs/dbraw/zinc/72/40/96/1065724096.db2.gz VXWZMNLYZOXQKS-UHFFFAOYSA-N 0 0 452.849 4.813 20 0 JJADRN COc1cc(CN(C)C(=O)C2(c3cccc(Br)c3)CC2)c(SC)cc1OC ZINC001360648457 1065724342 /nfs/dbraw/zinc/72/43/42/1065724342.db2.gz QCBZVJIZPGXPGT-UHFFFAOYSA-N 0 0 450.398 4.878 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001438484194 1065724521 /nfs/dbraw/zinc/72/45/21/1065724521.db2.gz VDHCHQHGEGHROB-XUVXKRRUSA-N 0 0 457.368 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001360649625 1065724604 /nfs/dbraw/zinc/72/46/04/1065724604.db2.gz KWRTXOYFTOUKCD-NHTMILBNSA-N 0 0 450.579 4.885 20 0 JJADRN O=C(NCc1cc(F)c(Br)cc1F)c1nc2ccccc2cc1Br ZINC001438488342 1065725249 /nfs/dbraw/zinc/72/52/49/1065725249.db2.gz NUNLMZVNBLKLTR-UHFFFAOYSA-N 0 0 456.084 4.968 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cc(Br)ncc1Br ZINC001438487308 1065725284 /nfs/dbraw/zinc/72/52/84/1065725284.db2.gz LVXNWFDFGVEWED-UHFFFAOYSA-N 0 0 452.024 4.604 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC001360652782 1065725464 /nfs/dbraw/zinc/72/54/64/1065725464.db2.gz NDFGTJQFKUMVIG-UHFFFAOYSA-N 0 0 455.487 4.689 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)NCc2cc(F)c(Br)cc2F)c1 ZINC001438489829 1065725940 /nfs/dbraw/zinc/72/59/40/1065725940.db2.gz UNBFQCKLYXLZLK-UHFFFAOYSA-N 0 0 453.327 4.920 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(CC2CC2)c2cccc(F)c2)c1)c1ccccc1 ZINC001438494606 1065726244 /nfs/dbraw/zinc/72/62/44/1065726244.db2.gz VUQIAPSCXDMKTB-GOSISDBHSA-N 0 0 452.551 4.922 20 0 JJADRN CC(C)(C)Oc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001360654660 1065726523 /nfs/dbraw/zinc/72/65/23/1065726523.db2.gz SWYKITXCTFBKBI-UHFFFAOYSA-N 0 0 450.988 4.944 20 0 JJADRN CCOC(=O)c1csc(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)c1C(=O)OCC ZINC001438500445 1065726768 /nfs/dbraw/zinc/72/67/68/1065726768.db2.gz RFDPKRNGSGFPNG-UHFFFAOYSA-N 0 0 458.467 4.680 20 0 JJADRN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N(CCN1CCOCC1)c1ccccc1F ZINC001438520925 1065727969 /nfs/dbraw/zinc/72/79/69/1065727969.db2.gz WTEBUURGAURZOT-UHFFFAOYSA-N 0 0 458.455 4.889 20 0 JJADRN CSc1cc(C(=O)Nc2ncc(S(=O)(=O)NC(C)(C)C)s2)c(Cl)cc1Cl ZINC001438527310 1065728401 /nfs/dbraw/zinc/72/84/01/1065728401.db2.gz IHLHAEXTAIQWKL-UHFFFAOYSA-N 0 0 454.426 4.501 20 0 JJADRN O=C(Nc1[nH]nc2cnc(Br)cc21)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001438522801 1065728497 /nfs/dbraw/zinc/72/84/97/1065728497.db2.gz QYPUTEOTYDNGHF-UHFFFAOYSA-N 0 0 459.250 4.830 20 0 JJADRN CC(C)C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001360659986 1065729091 /nfs/dbraw/zinc/72/90/91/1065729091.db2.gz SBTXIYWLWPQNAS-OAQYLSRUSA-N 0 0 454.995 4.783 20 0 JJADRN C[C@H]1CCC[C@H](C)N(C(=O)Cc2ccc(I)c(Br)c2)C1 ZINC001360663659 1065729516 /nfs/dbraw/zinc/72/95/16/1065729516.db2.gz MHJVKUSETJPXMT-RYUDHWBXSA-N 0 0 450.158 4.633 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001438536882 1065729678 /nfs/dbraw/zinc/72/96/78/1065729678.db2.gz DKODBVZXNJTXMI-HXUWFJFHSA-N 0 0 457.496 4.979 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cn(C)nc2[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC001360663756 1065729697 /nfs/dbraw/zinc/72/96/97/1065729697.db2.gz NZAIVIPGBDDZMZ-KCZVDYSFSA-N 0 0 452.599 4.587 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC001360664715 1065730110 /nfs/dbraw/zinc/73/01/10/1065730110.db2.gz KLRXNUDUTQIREL-QFIPXVFZSA-N 0 0 457.036 4.702 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001360665103 1065730388 /nfs/dbraw/zinc/73/03/88/1065730388.db2.gz WFPVXWCUJOJEJL-AWEZNQCLSA-N 0 0 454.723 4.837 20 0 JJADRN C[C@]1(C(=O)NCc2c(Cl)cccc2OC(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC001438542830 1065730482 /nfs/dbraw/zinc/73/04/82/1065730482.db2.gz ZTMCSQZBWXAETJ-QFIPXVFZSA-N 0 0 452.885 4.606 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001360668640 1065731057 /nfs/dbraw/zinc/73/10/57/1065731057.db2.gz NVDQSQBBKMOXEH-GHTZIAJQSA-N 0 0 452.551 4.669 20 0 JJADRN O=C(OCCCc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001360669376 1065731075 /nfs/dbraw/zinc/73/10/75/1065731075.db2.gz KILXZAATGWRQER-NRFANRHFSA-N 0 0 455.551 4.556 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001438556079 1065731090 /nfs/dbraw/zinc/73/10/90/1065731090.db2.gz VISAQUOFNWNKQT-VMPWQMBCSA-N 0 0 456.945 4.553 20 0 JJADRN Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)c1 ZINC001438560587 1065731264 /nfs/dbraw/zinc/73/12/64/1065731264.db2.gz COFAYYIJKGCOAQ-HSZRJFAPSA-N 0 0 452.501 4.696 20 0 JJADRN CCc1cc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc(Cl)n1 ZINC001360672958 1065731515 /nfs/dbraw/zinc/73/15/15/1065731515.db2.gz AWTBAHUGPAUDMJ-HSZRJFAPSA-N 0 0 456.995 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001360673940 1065732064 /nfs/dbraw/zinc/73/20/64/1065732064.db2.gz RAAORRQDLHIURI-CJNGLKHVSA-N 0 0 451.539 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001360673941 1065732093 /nfs/dbraw/zinc/73/20/93/1065732093.db2.gz RAAORRQDLHIURI-CZUORRHYSA-N 0 0 451.539 4.902 20 0 JJADRN CN(CC(=O)N1CC[C@@H](c2ccccc2F)C1(C)C)C(=O)c1ccc(Br)s1 ZINC001438567155 1065732198 /nfs/dbraw/zinc/73/21/98/1065732198.db2.gz RENSWNRSDVZZAS-AWEZNQCLSA-N 0 0 453.377 4.516 20 0 JJADRN CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001438576518 1065733216 /nfs/dbraw/zinc/73/32/16/1065733216.db2.gz RNTFCCZIUBQUQR-QGZVFWFLSA-N 0 0 459.443 4.799 20 0 JJADRN O=C(NC[C@@H]1CCC12CCOCC2)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001438575570 1065733584 /nfs/dbraw/zinc/73/35/84/1065733584.db2.gz XRDKIVOTXZQSHA-SFHVURJKSA-N 0 0 457.368 4.638 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001360677123 1065733587 /nfs/dbraw/zinc/73/35/87/1065733587.db2.gz BDCWAHPXMVOLCL-SANMLTNESA-N 0 0 458.558 4.676 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC001360677265 1065733621 /nfs/dbraw/zinc/73/36/21/1065733621.db2.gz CTYJOJKALJYCAD-AOMKIAJQSA-N 0 0 454.368 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001545917063 1065734082 /nfs/dbraw/zinc/73/40/82/1065734082.db2.gz WETQKZUTYYNDIG-ROUUACIJSA-N 0 0 494.656 4.577 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)CCN(C)C(=O)OCc2ccccc2)c1 ZINC001360678671 1065734252 /nfs/dbraw/zinc/73/42/52/1065734252.db2.gz SMVNZSRWHLSVOJ-UHFFFAOYSA-N 0 0 458.518 4.631 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC001438597772 1065734773 /nfs/dbraw/zinc/73/47/73/1065734773.db2.gz DGOQDBFKVCVMLJ-UHOSZYNNSA-N 0 0 456.505 4.593 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001438595706 1065734833 /nfs/dbraw/zinc/73/48/33/1065734833.db2.gz QZJUATUEVSEZGI-IBGZPJMESA-N 0 0 457.546 4.687 20 0 JJADRN CC1(C)CNC(=O)c2c(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)coc2C1 ZINC001360681423 1065735220 /nfs/dbraw/zinc/73/52/20/1065735220.db2.gz FCDBGNYRYIVSKQ-UHFFFAOYSA-N 0 0 451.910 4.750 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(Br)c1 ZINC001360682351 1065735508 /nfs/dbraw/zinc/73/55/08/1065735508.db2.gz SUNUTYKDGWOKDF-GFCCVEGCSA-N 0 0 450.720 4.545 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 ZINC001360686691 1065735815 /nfs/dbraw/zinc/73/58/15/1065735815.db2.gz FZMXDURKKUEXKG-LBPRGKRZSA-N 0 0 450.720 4.545 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC001438603018 1065735845 /nfs/dbraw/zinc/73/58/45/1065735845.db2.gz XGJAZWVUEXYSEF-UHFFFAOYSA-N 0 0 455.267 4.523 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc3cc(Cl)cnc3n2)nnc1-c1ccc(Cl)cc1 ZINC001438603334 1065736060 /nfs/dbraw/zinc/73/60/60/1065736060.db2.gz XLCZNHVJSXLSSG-UHFFFAOYSA-N 0 0 459.362 4.946 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CCCN(C)c3ccccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001360687615 1065737094 /nfs/dbraw/zinc/73/70/94/1065737094.db2.gz QALBJAQMMWABCK-SFHVURJKSA-N 0 0 458.990 4.872 20 0 JJADRN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545917385 1065737054 /nfs/dbraw/zinc/73/70/54/1065737054.db2.gz GJDRMIFXSWODFJ-IUODEOHRSA-N 0 0 457.905 4.574 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001438619002 1065737086 /nfs/dbraw/zinc/73/70/86/1065737086.db2.gz CMWALQSWVNOWPE-INIZCTEOSA-N 0 0 453.745 4.699 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1cc(Cl)nc2ccccc21 ZINC001438619008 1065737207 /nfs/dbraw/zinc/73/72/07/1065737207.db2.gz CMWALQSWVNOWPE-MRXNPFEDSA-N 0 0 453.745 4.699 20 0 JJADRN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N(c1ccccc1F)C1CCCC1 ZINC001360692198 1065737390 /nfs/dbraw/zinc/73/73/90/1065737390.db2.gz JXSRAGMWBHMPAR-KNTRCKAVSA-N 0 0 456.583 4.814 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC001438624935 1065737413 /nfs/dbraw/zinc/73/74/13/1065737413.db2.gz NXNGBZFVPPRWJJ-QGZVFWFLSA-N 0 0 452.301 4.896 20 0 JJADRN COC(=O)COc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001438620937 1065737606 /nfs/dbraw/zinc/73/76/06/1065737606.db2.gz WRGKWJWGASRBQN-QFIPXVFZSA-N 0 0 453.432 4.634 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1oc2ccc(Br)cc2c1C)c1noc(C)n1 ZINC001360696570 1065738064 /nfs/dbraw/zinc/73/80/64/1065738064.db2.gz FEMYUIXZUMUUFO-SFHVURJKSA-N 0 0 456.296 4.723 20 0 JJADRN CC[C@H](C)[C@H](C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1)N1C(=O)c2ccccc2C1=O ZINC001360701139 1065739766 /nfs/dbraw/zinc/73/97/66/1065739766.db2.gz ISOBCTLNVCQGKF-QMHKHESXSA-N 0 0 459.502 4.532 20 0 JJADRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1cccc(N2CCOC2=O)c1 ZINC001360701094 1065739795 /nfs/dbraw/zinc/73/97/95/1065739795.db2.gz HHKFFBLHIYSCMX-LLVKDONJSA-N 0 0 457.246 4.916 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1nnc([C@H]2CCCO2)s1)Nc1ccc(F)cc1 ZINC001438659511 1065740800 /nfs/dbraw/zinc/74/08/00/1065740800.db2.gz GHNMRAUKVGLRGA-MRXNPFEDSA-N 0 0 458.540 4.512 20 0 JJADRN CCC(F)(F)c1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 ZINC001438658426 1065740854 /nfs/dbraw/zinc/74/08/54/1065740854.db2.gz GGAXCZCWZNNCPN-UHFFFAOYSA-N 0 0 452.523 4.670 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)cc2)cc1 ZINC001360706848 1065742379 /nfs/dbraw/zinc/74/23/79/1065742379.db2.gz OWGZELBDYUYGAL-PXDATVDWSA-N 0 0 456.586 4.881 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)c1 ZINC001360706814 1065742394 /nfs/dbraw/zinc/74/23/94/1065742394.db2.gz NVJGSXBDSIKEII-UHFFFAOYSA-N 0 0 459.974 4.599 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)C1 ZINC001360706780 1065742589 /nfs/dbraw/zinc/74/25/89/1065742589.db2.gz NEIUHLWRBMRVKB-SLFFLAALSA-N 0 0 456.533 4.853 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)cc2)cc1 ZINC001360706846 1065742698 /nfs/dbraw/zinc/74/26/98/1065742698.db2.gz OWGZELBDYUYGAL-BWKNWUBXSA-N 0 0 456.586 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)(F)c1cccc(Br)c1 ZINC001438680593 1065743010 /nfs/dbraw/zinc/74/30/10/1065743010.db2.gz KTQGRHAIJNNYJT-JKSUJKDBSA-N 0 0 459.331 4.541 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)Oc2cccc(C)c2)[C@H]1c1ccccc1OC ZINC001360710457 1065743121 /nfs/dbraw/zinc/74/31/21/1065743121.db2.gz MPMUSYBJPRXEPI-UVWWXKGLSA-N 0 0 452.595 4.667 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2cnn(-c3ccccc3)c2)n1C ZINC001360710659 1065743192 /nfs/dbraw/zinc/74/31/92/1065743192.db2.gz PDXQHYFUZQNYDR-UHFFFAOYSA-N 0 0 450.340 4.525 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360711428 1065743722 /nfs/dbraw/zinc/74/37/22/1065743722.db2.gz GENDDQOVMLOOAY-HTAPYJJXSA-N 0 0 453.583 4.585 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)C1CC1 ZINC001360711301 1065743946 /nfs/dbraw/zinc/74/39/46/1065743946.db2.gz CGVOGSCRIIOJOI-KRWDZBQOSA-N 0 0 453.967 4.720 20 0 JJADRN O=C(Nc1ccc(Br)c(Br)c1)c1cc(Cl)ccc1-n1cncn1 ZINC001438687706 1065744034 /nfs/dbraw/zinc/74/40/34/1065744034.db2.gz IDQXOCNHNSWCKE-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC001438699994 1065745173 /nfs/dbraw/zinc/74/51/73/1065745173.db2.gz XIOOCRBMENCSEY-XMMPIXPASA-N 0 0 453.608 4.727 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)C12CCC2 ZINC001360714844 1065745294 /nfs/dbraw/zinc/74/52/94/1065745294.db2.gz CKKGVTYRLJCYBW-RCCFBDPRSA-N 0 0 456.505 4.735 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CC1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001360717353 1065745777 /nfs/dbraw/zinc/74/57/77/1065745777.db2.gz JUMDCHKBUJYPOK-UHFFFAOYSA-N 0 0 450.789 4.870 20 0 JJADRN CC(C)c1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)nn1-c1ccccc1 ZINC001438717337 1065746115 /nfs/dbraw/zinc/74/61/15/1065746115.db2.gz DGLJSHRGWSODIF-KNQAVFIVSA-N 0 0 452.599 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)C1 ZINC001438718219 1065746242 /nfs/dbraw/zinc/74/62/42/1065746242.db2.gz GDGCDKRDPZPSJK-OXJNMPFZSA-N 0 0 456.974 4.659 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001438717631 1065746271 /nfs/dbraw/zinc/74/62/71/1065746271.db2.gz FQRSHVLGVOVPRS-XYJFISCASA-N 0 0 456.505 4.721 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2s1 ZINC001360720994 1065746603 /nfs/dbraw/zinc/74/66/03/1065746603.db2.gz GMCZRVCQCHVXTD-UHFFFAOYSA-N 0 0 451.367 4.966 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)Cc1ccc(F)cc1Br ZINC001360721030 1065746801 /nfs/dbraw/zinc/74/68/01/1065746801.db2.gz HEJBDHMMCMQDSU-UHFFFAOYSA-N 0 0 459.109 4.709 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC001438718710 1065746860 /nfs/dbraw/zinc/74/68/60/1065746860.db2.gz XRWDEMYADLJMKB-QZTJIDSGSA-N 0 0 459.587 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CCCOc2ccc3c(c2)CCCC3)C1 ZINC001438723744 1065747196 /nfs/dbraw/zinc/74/71/96/1065747196.db2.gz SHDKNUMIABJKTK-VWNXMTODSA-N 0 0 456.627 4.972 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001360721511 1065747376 /nfs/dbraw/zinc/74/73/76/1065747376.db2.gz VLNHEIYNHHUMGR-UHFFFAOYSA-N 0 0 453.720 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(Br)c2Cl)C1 ZINC001438722310 1065747296 /nfs/dbraw/zinc/74/72/96/1065747296.db2.gz OBWMCLVCIZKJKN-CZUORRHYSA-N 0 0 457.796 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CCCOc2ccc3c(c2)CCCC3)C1 ZINC001438723736 1065747364 /nfs/dbraw/zinc/74/73/64/1065747364.db2.gz SHDKNUMIABJKTK-LADGPHEKSA-N 0 0 456.627 4.972 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(Br)cc(Br)c1)c1cccc(C)c1 ZINC001438727002 1065747694 /nfs/dbraw/zinc/74/76/94/1065747694.db2.gz FLBFUKYWXGQBPD-MRXNPFEDSA-N 0 0 455.146 4.554 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3)n2CCOc2ncccc2Cl)CC1)C(F)(F)F ZINC001360721942 1065747812 /nfs/dbraw/zinc/74/78/12/1065747812.db2.gz HODQHPNOCSQEHI-QFIPXVFZSA-N 0 0 495.933 4.602 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C)c1cccc(C)c1 ZINC001438739392 1065748233 /nfs/dbraw/zinc/74/82/33/1065748233.db2.gz XFRWRPVVADEERP-XMMPIXPASA-N 0 0 454.530 4.585 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CCC3)n2CCc2ccccc2OC(F)F)CC1)C(F)(F)F ZINC001360722210 1065748697 /nfs/dbraw/zinc/74/86/97/1065748697.db2.gz LXEMJWWOZGHHMJ-QFIPXVFZSA-N 0 0 488.501 4.919 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCS2)CC1)C(F)(F)F ZINC001360722266 1065748789 /nfs/dbraw/zinc/74/87/89/1065748789.db2.gz MXHQBVHGXHAVPS-NQIIRXRSSA-N 0 0 454.562 4.761 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccccc3)n2CCC[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC001360722286 1065748803 /nfs/dbraw/zinc/74/88/03/1065748803.db2.gz NDKOOTJDPJCTCH-NZQKXSOJSA-N 0 0 466.548 4.824 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccsc2)CC1)C(F)(F)F ZINC001360722553 1065749134 /nfs/dbraw/zinc/74/91/34/1065749134.db2.gz RGSVQGUEZXGLIQ-FQEVSTJZSA-N 0 0 454.493 4.724 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@H]3CCCCO3)n2CCOC2CCCCCC2)CC1)C(F)(F)F ZINC001360722397 1065749154 /nfs/dbraw/zinc/74/91/54/1065749154.db2.gz PAWIITSTBMNNPC-NFBKMPQASA-N 0 0 488.595 4.789 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3)n2CCCOC2CCCC2)CC1)C(F)(F)F ZINC001360722716 1065749680 /nfs/dbraw/zinc/74/96/80/1065749680.db2.gz VGPAPCYUQGIETO-QHCPKHFHSA-N 0 0 466.548 4.824 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001360722755 1065749727 /nfs/dbraw/zinc/74/97/27/1065749727.db2.gz VZCXATDRZQUJKF-BFUOFWGJSA-N 0 0 493.908 4.959 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccs2)CC1)C(F)(F)F ZINC001360722719 1065749754 /nfs/dbraw/zinc/74/97/54/1065749754.db2.gz VJBFQAXWQFFGSZ-NRFANRHFSA-N 0 0 486.510 4.787 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001438755401 1065749839 /nfs/dbraw/zinc/74/98/39/1065749839.db2.gz WUGMQHUOIUNPGP-PKTZIBPZSA-N 0 0 450.558 4.897 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001438755395 1065749929 /nfs/dbraw/zinc/74/99/29/1065749929.db2.gz WUGMQHUOIUNPGP-GOTSBHOMSA-N 0 0 450.558 4.897 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(C3CCC3)n2Cc2nc(C(F)(F)F)cs2)CC1)C(F)(F)F ZINC001360722948 1065750335 /nfs/dbraw/zinc/75/03/35/1065750335.db2.gz ZSLGFQAFHPXGIM-QGZVFWFLSA-N 0 0 483.482 4.599 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCCCCC2)CC1)C(F)(F)F ZINC001360722917 1065750367 /nfs/dbraw/zinc/75/03/67/1065750367.db2.gz ZBKCKJDIRUDNHP-JOCHJYFZSA-N 0 0 466.548 4.560 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)c3cccnc3Sc3ccc(C)c(C)c3)CC2)no1 ZINC001438760511 1065750460 /nfs/dbraw/zinc/75/04/60/1065750460.db2.gz QYDPPDJJMASEQL-UHFFFAOYSA-N 0 0 451.548 4.644 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001438767389 1065750512 /nfs/dbraw/zinc/75/05/12/1065750512.db2.gz ONJNPZCUALYXJN-FHLIZLRMSA-N 0 0 455.577 4.862 20 0 JJADRN C[C@@](O)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1)c1cccs1 ZINC001360723672 1065750907 /nfs/dbraw/zinc/75/09/07/1065750907.db2.gz COLZEXDDSAMKBA-HXUWFJFHSA-N 0 0 463.376 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCC[C@@H]1CC ZINC001545918220 1065751537 /nfs/dbraw/zinc/75/15/37/1065751537.db2.gz KCCWZYWLFMWAMD-OALUTQOASA-N 0 0 488.627 4.628 20 0 JJADRN C[C@@](O)(CCn1c(CC2CCCC2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360724057 1065751607 /nfs/dbraw/zinc/75/16/07/1065751607.db2.gz IPEFCVMXPVWFNI-HSZRJFAPSA-N 0 0 459.432 4.798 20 0 JJADRN C[C@](O)(CCn1c(CC2CCCC2)nnc1N1CCC=C(Br)C1)c1ccccc1 ZINC001360724058 1065751624 /nfs/dbraw/zinc/75/16/24/1065751624.db2.gz IPEFCVMXPVWFNI-QHCPKHFHSA-N 0 0 459.432 4.798 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(CC3CCCC3)n2CCOc2cccc(F)c2)CC1)C(F)(F)F ZINC001360724438 1065751883 /nfs/dbraw/zinc/75/18/83/1065751883.db2.gz PVNBEQLHVQTUBU-QHCPKHFHSA-N 0 0 484.538 4.759 20 0 JJADRN C[C@](O)(CCn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC001360724488 1065751949 /nfs/dbraw/zinc/75/19/49/1065751949.db2.gz QNMXEHNOJCVLQS-QFIPXVFZSA-N 0 0 462.541 4.927 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@H]3CCCO3)n2CCCSc2ccccc2)CC1)C(F)(F)F ZINC001360724731 1065752009 /nfs/dbraw/zinc/75/20/09/1065752009.db2.gz VYEMQKMQPXWZCC-DENIHFKCSA-N 0 0 484.588 4.842 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1noc2cc(F)ccc21 ZINC001438786632 1065752096 /nfs/dbraw/zinc/75/20/96/1065752096.db2.gz XAOPXXRZROGEAN-HXUWFJFHSA-N 0 0 451.885 4.798 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(CC3CC3)n2Cc2ccccc2Br)CC1)C(F)(F)F ZINC001360724853 1065752593 /nfs/dbraw/zinc/75/25/93/1065752593.db2.gz YKZZXKXRWHZNPJ-FQEVSTJZSA-N 0 0 487.364 4.571 20 0 JJADRN COC(=O)c1cnc(N(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C2CC2)s1 ZINC001360726125 1065753112 /nfs/dbraw/zinc/75/31/12/1065753112.db2.gz LKPGXMVRHMULNX-UHFFFAOYSA-N 0 0 454.348 4.656 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CCCC(C)(C)C ZINC001545918327 1065753014 /nfs/dbraw/zinc/75/30/14/1065753014.db2.gz OJJCEQJIDKTEMF-UHFFFAOYSA-N 0 0 476.616 4.628 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C ZINC001438809931 1065753739 /nfs/dbraw/zinc/75/37/39/1065753739.db2.gz BSYDSLUTGUVOHC-QHCPKHFHSA-N 0 0 452.551 4.832 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Br)ccc1C(C)(C)C ZINC001438813802 1065753800 /nfs/dbraw/zinc/75/38/00/1065753800.db2.gz LYDPTTLQXPBACL-CYBMUJFWSA-N 0 0 456.377 4.934 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001438817254 1065753947 /nfs/dbraw/zinc/75/39/47/1065753947.db2.gz IQGHCJNQIRPYDG-HGHGUNKESA-N 0 0 455.396 4.985 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001438816074 1065754205 /nfs/dbraw/zinc/75/42/05/1065754205.db2.gz GXZGRFWDUPYJLZ-AIZKBTNYSA-N 0 0 456.558 4.627 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001438816076 1065754226 /nfs/dbraw/zinc/75/42/26/1065754226.db2.gz GXZGRFWDUPYJLZ-VAFVZNMKSA-N 0 0 456.558 4.627 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)C2CC2)CCO1 ZINC001360727506 1065754588 /nfs/dbraw/zinc/75/45/88/1065754588.db2.gz UYKKHGYDZKORBC-NHCUHLMSSA-N 0 0 483.476 4.572 20 0 JJADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)C2CC2)CCO1 ZINC001360727508 1065754675 /nfs/dbraw/zinc/75/46/75/1065754675.db2.gz UYKKHGYDZKORBC-SFTDATJTSA-N 0 0 483.476 4.572 20 0 JJADRN C[C@](O)(Cn1c(-c2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360727268 1065754769 /nfs/dbraw/zinc/75/47/69/1065754769.db2.gz PWJZSEVDRVXCQB-QFIPXVFZSA-N 0 0 463.479 4.556 20 0 JJADRN O=C(CCCc1ccc2ccccc2c1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001438818540 1065754731 /nfs/dbraw/zinc/75/47/31/1065754731.db2.gz CSYIQHGXZOQHCM-JOCHJYFZSA-N 0 0 451.364 4.995 20 0 JJADRN O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001438819985 1065754759 /nfs/dbraw/zinc/75/47/59/1065754759.db2.gz FGVMIGJLZZMACH-RTWAWAEBSA-N 0 0 456.384 4.578 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001360727641 1065755109 /nfs/dbraw/zinc/75/51/09/1065755109.db2.gz XDNJVIUTPSVWDE-UPCLLVRISA-N 0 0 494.467 4.675 20 0 JJADRN Cc1cc(C2(C(=O)Nc3cccc4c3N(C)C(=O)CO4)CCCCC2)ccc1Br ZINC001438821838 1065755207 /nfs/dbraw/zinc/75/52/07/1065755207.db2.gz UENBSYUBWZMZPM-UHFFFAOYSA-N 0 0 457.368 4.953 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1)C1CCCCC1 ZINC001360727642 1065755253 /nfs/dbraw/zinc/75/52/53/1065755253.db2.gz XDNJVIUTPSVWDE-VOIUYBSRSA-N 0 0 494.467 4.675 20 0 JJADRN C[C@@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CCCCC1 ZINC001360728458 1065755901 /nfs/dbraw/zinc/75/59/01/1065755901.db2.gz MOSKXJALFYOYSE-DNVCBOLYSA-N 0 0 498.512 4.825 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC001438831629 1065756435 /nfs/dbraw/zinc/75/64/35/1065756435.db2.gz UROFDWICVPJYHE-LJQANCHMSA-N 0 0 456.942 4.559 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)Nc3cc(Br)cc4c3NC(=O)CO4)s2)c(C)c1 ZINC001438832612 1065756594 /nfs/dbraw/zinc/75/65/94/1065756594.db2.gz YSYCLIRZPGJGLJ-UHFFFAOYSA-N 0 0 458.337 4.773 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccco1 ZINC001360728753 1065756448 /nfs/dbraw/zinc/75/64/48/1065756448.db2.gz QMMWWZJIMJSBOT-OPAMFIHVSA-N 0 0 450.917 4.505 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)C1(C)C ZINC001360729222 1065756650 /nfs/dbraw/zinc/75/66/50/1065756650.db2.gz DMISPCCLNHLGAW-KURKYZTESA-N 0 0 458.521 4.933 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001360729667 1065757113 /nfs/dbraw/zinc/75/71/13/1065757113.db2.gz ZAKMPGCZRBMMIG-HSZRJFAPSA-N 0 0 493.961 4.994 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001438838784 1065757332 /nfs/dbraw/zinc/75/73/32/1065757332.db2.gz HSYHFQPGMCYLSL-SFHVURJKSA-N 0 0 450.760 4.834 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCC[C@]23CCCO3)ccc1OCc1ccc(Br)s1 ZINC001438849756 1065757669 /nfs/dbraw/zinc/75/76/69/1065757669.db2.gz JZPCWBJAVRCYHC-NQIIRXRSSA-N 0 0 466.397 4.930 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccccc1OC(F)(F)F ZINC001360730387 1065757665 /nfs/dbraw/zinc/75/76/65/1065757665.db2.gz GRMGMHVLTSSDCZ-UHFFFAOYSA-N 0 0 459.140 4.936 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2nn(C)cc2Cl)CCC(=O)N1c1ccc(C)cc1 ZINC001438854639 1065758401 /nfs/dbraw/zinc/75/84/01/1065758401.db2.gz DQIHTTKLCNRHBX-PGRDOPGGSA-N 0 0 452.942 4.514 20 0 JJADRN COc1ccccc1[C@H]1[C@H](C(=O)Nc2nn(C)cc2Cl)CCC(=O)N1c1ccc(C)cc1 ZINC001438854636 1065758425 /nfs/dbraw/zinc/75/84/25/1065758425.db2.gz DQIHTTKLCNRHBX-GCJKJVERSA-N 0 0 452.942 4.514 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)C2CCCCC2)cc1 ZINC001360731124 1065758720 /nfs/dbraw/zinc/75/87/20/1065758720.db2.gz AOFHQGMEHJIHDQ-OALUTQOASA-N 0 0 481.666 4.776 20 0 JJADRN C[C@](O)(Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001360731028 1065758809 /nfs/dbraw/zinc/75/88/09/1065758809.db2.gz CKWLTPNBDUCETE-NRFANRHFSA-N 0 0 454.562 4.961 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(C3CCC3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001360731317 1065758849 /nfs/dbraw/zinc/75/88/49/1065758849.db2.gz CQVZFLYJQIMRHY-RBUKOAKNSA-N 0 0 483.657 4.777 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N(Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC001438855083 1065758899 /nfs/dbraw/zinc/75/88/99/1065758899.db2.gz PESCRGGBODDQDJ-UHFFFAOYSA-N 0 0 450.283 4.516 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCCc3ccc(Br)cc32)C1 ZINC001438854951 1065758997 /nfs/dbraw/zinc/75/89/97/1065758997.db2.gz PIQZQFHNVPDECQ-IBGZPJMESA-N 0 0 457.368 4.777 20 0 JJADRN C[C@](O)(Cn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1)c1cccs1 ZINC001360731368 1065759246 /nfs/dbraw/zinc/75/92/46/1065759246.db2.gz HJJYHNLNYNNXEU-QFIPXVFZSA-N 0 0 480.556 4.648 20 0 JJADRN C[C@](O)(Cn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccco1 ZINC001360731526 1065759459 /nfs/dbraw/zinc/75/94/59/1065759459.db2.gz JBMPRNXBCBMZCX-QHCPKHFHSA-N 0 0 462.516 4.733 20 0 JJADRN O=C(NCC[C@@H]1CCCC1(F)F)c1ccc(I)c(Br)c1 ZINC001438858903 1065759718 /nfs/dbraw/zinc/75/97/18/1065759718.db2.gz QNSGZQUOFUUMAS-JTQLQIEISA-N 0 0 458.084 4.609 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869469 1065760324 /nfs/dbraw/zinc/76/03/24/1065760324.db2.gz YRZDREHYPSEULB-FNZWTVRRSA-N 0 0 456.577 4.968 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869536 1065760430 /nfs/dbraw/zinc/76/04/30/1065760430.db2.gz YRZDREHYPSEULB-IBVKSMDESA-N 0 0 456.577 4.968 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)C2)O1 ZINC001438869547 1065760461 /nfs/dbraw/zinc/76/04/61/1065760461.db2.gz YRZDREHYPSEULB-RXFWQSSRSA-N 0 0 456.577 4.968 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)O1 ZINC001438865135 1065760605 /nfs/dbraw/zinc/76/06/05/1065760605.db2.gz SOCUCSRIHZQFGE-ZHRRBRCNSA-N 0 0 452.904 4.864 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)nc1C ZINC001438878616 1065760980 /nfs/dbraw/zinc/76/09/80/1065760980.db2.gz ADSDUCVIASEKHK-YWZLYKJASA-N 0 0 452.576 4.910 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC001360732693 1065761111 /nfs/dbraw/zinc/76/11/11/1065761111.db2.gz VMHZAQXUNBVSOD-LJQANCHMSA-N 0 0 456.559 4.678 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)[C@H](C)c3ccc(Br)cc3)C2)nc1C ZINC001438879442 1065761062 /nfs/dbraw/zinc/76/10/62/1065761062.db2.gz CCHRPWGAZFOAPZ-IUODEOHRSA-N 0 0 451.386 4.510 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001360733432 1065761465 /nfs/dbraw/zinc/76/14/65/1065761465.db2.gz VUFZBOSXNFFHJQ-PZJWPPBQSA-N 0 0 485.673 4.709 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3ccc(Oc4ccc(C)cn4)cc3)C2)nc1C ZINC001438881381 1065761639 /nfs/dbraw/zinc/76/16/39/1065761639.db2.gz ICWWUZBQHTUXII-GOSISDBHSA-N 0 0 451.548 4.754 20 0 JJADRN C[C@@]1(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)OCCc2ccccc21 ZINC001438881693 1065761653 /nfs/dbraw/zinc/76/16/53/1065761653.db2.gz GAJKTJDPTURVTN-QHCPKHFHSA-N 0 0 456.336 4.839 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N3CCC[C@@H](CF)C3)n2-c2ccc(C)cc2)cc1 ZINC001438883759 1065762104 /nfs/dbraw/zinc/76/21/04/1065762104.db2.gz RNOLWKUHBDVMFP-SFHVURJKSA-N 0 0 454.571 4.552 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)N(C)[C@H]3CCN(c4ccccc4F)C3=O)cs2)cc1 ZINC001360734066 1065762236 /nfs/dbraw/zinc/76/22/36/1065762236.db2.gz LBRMYZDBZIRNAG-QFIPXVFZSA-N 0 0 451.567 4.879 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CCN(c4ccccc4F)C3=O)cs2)cc1 ZINC001360734633 1065762645 /nfs/dbraw/zinc/76/26/45/1065762645.db2.gz ZVTBXWADHNBXPQ-OAQYLSRUSA-N 0 0 453.539 4.616 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)CC2)cc1 ZINC001438886519 1065762631 /nfs/dbraw/zinc/76/26/31/1065762631.db2.gz VMQQHFALNHRJSC-UHFFFAOYSA-N 0 0 451.792 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2ccc(F)cc2C1)c1ccc(C(F)(F)F)cc1 ZINC001545918841 1065762734 /nfs/dbraw/zinc/76/27/34/1065762734.db2.gz FRUDXRUBIWETHX-IBGZPJMESA-N 0 0 452.448 4.995 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)c1nc(C(C)C)n(-c3ccccc3F)n1)CCCC2 ZINC001438889761 1065763280 /nfs/dbraw/zinc/76/32/80/1065763280.db2.gz NXLPFUQGVCJYDV-IBGZPJMESA-N 0 0 452.530 4.745 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1cc2cc(Br)ccc2s1 ZINC001438889038 1065763381 /nfs/dbraw/zinc/76/33/81/1065763381.db2.gz WXKFEUBKTBPJNO-FQEVSTJZSA-N 0 0 450.329 4.707 20 0 JJADRN CCCO[C@@H](C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21)c1ccc(F)cc1C ZINC001360735057 1065763248 /nfs/dbraw/zinc/76/32/48/1065763248.db2.gz ATMICFMPGXHUDI-DNQXCXABSA-N 0 0 456.558 4.701 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)c1nc(C(C)C)n(-c3ccccc3F)n1)CCCC2 ZINC001438889762 1065763475 /nfs/dbraw/zinc/76/34/75/1065763475.db2.gz NXLPFUQGVCJYDV-LJQANCHMSA-N 0 0 452.530 4.745 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N3C[C@@H](C)CC3(C)C)cc2)cc1C ZINC001438899707 1065763789 /nfs/dbraw/zinc/76/37/89/1065763789.db2.gz LNRSMWKFPDIEQE-PXNSSMCTSA-N 0 0 458.624 4.543 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3C[C@@H](C)CC3(C)C)cc2)cc1C ZINC001438899697 1065763972 /nfs/dbraw/zinc/76/39/72/1065763972.db2.gz LNRSMWKFPDIEQE-FXAWDEMLSA-N 0 0 458.624 4.543 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC001438907034 1065764531 /nfs/dbraw/zinc/76/45/31/1065764531.db2.gz MISWKEFUCAHLHA-NRFANRHFSA-N 0 0 459.917 4.788 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001360736432 1065764681 /nfs/dbraw/zinc/76/46/81/1065764681.db2.gz AOWQOVZGJOICDZ-RXVVDRJESA-N 0 0 471.646 4.513 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCN(C)CC(F)(F)F ZINC001360736627 1065765636 /nfs/dbraw/zinc/76/56/36/1065765636.db2.gz DUEXHYQAHAOUFZ-JKSUJKDBSA-N 0 0 469.483 4.842 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCCOC(F)(F)F ZINC001360736638 1065765716 /nfs/dbraw/zinc/76/57/16/1065765716.db2.gz DZCFEEDIDKRIOW-HNAYVOBHSA-N 0 0 496.509 4.731 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[S@@](=O)C(C)(C)C ZINC001360736776 1065765738 /nfs/dbraw/zinc/76/57/38/1065765738.db2.gz HSPUMIVAJIOJAQ-AESQFQPQSA-N 0 0 494.036 4.789 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCCOC(F)(F)F ZINC001360736639 1065765775 /nfs/dbraw/zinc/76/57/75/1065765775.db2.gz DZCFEEDIDKRIOW-KXBFYZLASA-N 0 0 496.509 4.731 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCCOC(F)(F)F ZINC001360736637 1065765823 /nfs/dbraw/zinc/76/58/23/1065765823.db2.gz DZCFEEDIDKRIOW-DNVCBOLYSA-N 0 0 496.509 4.731 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1COCCO1 ZINC001360736759 1065765876 /nfs/dbraw/zinc/76/58/76/1065765876.db2.gz HEDDXHGIRUDSNT-FUHIMQAGSA-N 0 0 460.575 4.622 20 0 JJADRN CO[C@@](C)(C(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC001438916362 1065766173 /nfs/dbraw/zinc/76/61/73/1065766173.db2.gz PYNPEFHJBZSRNI-QFIPXVFZSA-N 0 0 455.885 4.774 20 0 JJADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1=CCCCC1 ZINC001360736872 1065766143 /nfs/dbraw/zinc/76/61/43/1065766143.db2.gz JFDAAEKEIAKYCT-CEXWTWQISA-N 0 0 478.634 4.706 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC(C)(C)c1ccccn1 ZINC001360736841 1065766292 /nfs/dbraw/zinc/76/62/92/1065766292.db2.gz IQMPWOJZSFCHDH-OAHLLOKOSA-N 0 0 451.468 4.929 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2CCc3ccccc3C2)cc1 ZINC001438917600 1065766728 /nfs/dbraw/zinc/76/67/28/1065766728.db2.gz RJMAPCAVJKSETG-LADGPHEKSA-N 0 0 450.579 4.621 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360736934 1065766693 /nfs/dbraw/zinc/76/66/93/1065766693.db2.gz BBKWGTMRBZBGMY-YDLSIGKMSA-N 0 0 460.594 4.624 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccoc2)n1CCC(=O)N1CCCCCC1 ZINC001360736921 1065766727 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JFPCOZCVFJXBCT-CZUORRHYSA-N 0 0 464.554 4.794 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001438938589 1065769566 /nfs/dbraw/zinc/76/95/66/1065769566.db2.gz HKBHPZBLBAYKFL-OTWHNJEPSA-N 0 0 481.312 4.631 20 0 JJADRN Cc1ccnc(-c2noc(CC3CCN(C(=O)c4cccc(C)c4Br)CC3)n2)c1 ZINC001438938608 1065769585 /nfs/dbraw/zinc/76/95/85/1065769585.db2.gz HXWMIICMIWXEKP-UHFFFAOYSA-N 0 0 455.356 4.606 20 0 JJADRN COC(=O)c1cnc(CC2CCN(C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)CC2)s1 ZINC001438938783 1065769702 /nfs/dbraw/zinc/76/97/02/1065769702.db2.gz XDTGWEYBFFHVQM-AWEZNQCLSA-N 0 0 454.514 4.923 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 ZINC001438939834 1065770151 /nfs/dbraw/zinc/77/01/51/1065770151.db2.gz MLVVJCKTMDNILE-UHFFFAOYSA-N 0 0 454.958 4.977 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCCC2)n1CCC(=O)N1CCCCC1 ZINC001360739306 1065770275 /nfs/dbraw/zinc/77/02/75/1065770275.db2.gz RXRYYUYAMULKNW-LJQANCHMSA-N 0 0 457.594 4.586 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCC2)n1CCCn1cc(Br)cn1 ZINC001360739079 1065770291 /nfs/dbraw/zinc/77/02/91/1065770291.db2.gz PVGKGKSUZKEWGJ-INIZCTEOSA-N 0 0 491.409 4.843 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1CCSC(F)(F)F ZINC001360739154 1065770417 /nfs/dbraw/zinc/77/04/17/1065770417.db2.gz QUJZBVAWMUOZHM-GFCCVEGCSA-N 0 0 461.510 4.903 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cnccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360739326 1065770894 /nfs/dbraw/zinc/77/08/94/1065770894.db2.gz SFDNYKQCFAYZNN-QGZVFWFLSA-N 0 0 495.628 4.828 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC1(C)CCCC1 ZINC001360739487 1065770991 /nfs/dbraw/zinc/77/09/91/1065770991.db2.gz TYBPIUOLZFUFCK-INIZCTEOSA-N 0 0 477.535 4.631 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CCCC1(C)C ZINC001360739530 1065771268 /nfs/dbraw/zinc/77/12/68/1065771268.db2.gz UCZCYFMCQOIFEZ-RTBURBONSA-N 0 0 452.578 4.852 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360739714 1065771297 /nfs/dbraw/zinc/77/12/97/1065771297.db2.gz VPCGAYKMUDUDEA-SFTDATJTSA-N 0 0 483.632 4.998 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCc2cc3cc(Br)ccc3o2)CCN1C(=O)OC(C)(C)C ZINC001438962394 1065771498 /nfs/dbraw/zinc/77/14/98/1065771498.db2.gz CEMMOBRRRSVNGO-IAGOWNOFSA-N 0 0 451.361 4.847 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N[C@H]3CCCOc4c(OC)cccc43)CC2(Cl)Cl)cc1 ZINC001438970358 1065772643 /nfs/dbraw/zinc/77/26/43/1065772643.db2.gz XKCJLEYOZVLRBN-AVRDEDQJSA-N 0 0 450.362 4.939 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[S@](=O)C(C)(C)C ZINC001360739927 1065772590 /nfs/dbraw/zinc/77/25/90/1065772590.db2.gz ZANVCXRKQPXUJU-IQVDJAOASA-N 0 0 478.659 4.845 20 0 JJADRN CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001438971388 1065773034 /nfs/dbraw/zinc/77/30/34/1065773034.db2.gz GURNVVPNJQIRGP-IBGZPJMESA-N 0 0 455.885 4.726 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC(F)(F)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001438976179 1065773731 /nfs/dbraw/zinc/77/37/31/1065773731.db2.gz HAARAYZNOGPHPE-GOSISDBHSA-N 0 0 458.427 4.620 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCCCS(C)(=O)=O ZINC001360740264 1065773655 /nfs/dbraw/zinc/77/36/55/1065773655.db2.gz FINFJGJJNOQSKF-LJQANCHMSA-N 0 0 492.661 4.955 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCC(C)(C)O ZINC001360740507 1065774115 /nfs/dbraw/zinc/77/41/15/1065774115.db2.gz HSRKDHOLLCGLHP-KRWDZBQOSA-N 0 0 456.562 4.900 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1CCC(C(F)(F)F)CC1 ZINC001360740567 1065774559 /nfs/dbraw/zinc/77/45/59/1065774559.db2.gz IIFFGXXZWZLRMC-VYMRPNJYSA-N 0 0 497.537 4.593 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC(C)(C)O ZINC001360740969 1065774992 /nfs/dbraw/zinc/77/49/92/1065774992.db2.gz LVKUADWTHNJHAX-FXAWDEMLSA-N 0 0 474.602 4.575 20 0 JJADRN Cc1c(Br)c(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)nn1C ZINC001360741229 1065775066 /nfs/dbraw/zinc/77/50/66/1065775066.db2.gz KPYWMHGHURUUBW-UHFFFAOYSA-N 0 0 456.319 4.745 20 0 JJADRN CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001360740948 1065775173 /nfs/dbraw/zinc/77/51/73/1065775173.db2.gz LMGRPFPGHXWNQD-WIYYLYMNSA-N 0 0 473.593 4.873 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[C@H](c4cccc(Cl)c4)C3(C)C)CC2=O)c1 ZINC001438994376 1065775377 /nfs/dbraw/zinc/77/53/77/1065775377.db2.gz BLHLPSIEFHMTCE-HTAPYJJXSA-N 0 0 456.970 4.505 20 0 JJADRN O=C(Nc1cscc1Cl)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001438994566 1065775493 /nfs/dbraw/zinc/77/54/93/1065775493.db2.gz GNWHFOKTOILDFC-UHFFFAOYSA-N 0 0 453.800 4.748 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)c1ccccn1 ZINC001360741512 1065775744 /nfs/dbraw/zinc/77/57/44/1065775744.db2.gz PZEWHZLXURNEAU-OALUTQOASA-N 0 0 467.589 4.934 20 0 JJADRN O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1ccc2ccc(Br)cc2c1 ZINC001438997770 1065775933 /nfs/dbraw/zinc/77/59/33/1065775933.db2.gz VJKILVYYRQTKGJ-UHFFFAOYSA-N 0 0 455.327 4.727 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)CC[C@H](C(F)(F)F)O1 ZINC001439001757 1065776452 /nfs/dbraw/zinc/77/64/52/1065776452.db2.gz JZPGKYXUNURPGN-LDYMZIIASA-N 0 0 455.321 4.816 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360741957 1065776540 /nfs/dbraw/zinc/77/65/40/1065776540.db2.gz UBEXFDGGJMWHMY-GOSISDBHSA-N 0 0 475.609 4.954 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360741946 1065776711 /nfs/dbraw/zinc/77/67/11/1065776711.db2.gz TUBBFNDZMBFHPF-XJKSGUPXSA-N 0 0 485.507 4.696 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360741974 1065776796 /nfs/dbraw/zinc/77/67/96/1065776796.db2.gz UFCKWFHNXNJLSE-UWJYYQICSA-N 0 0 469.605 4.655 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C)CC2)n1C[C@H]1CCC[C@H]1CC ZINC001545919692 1065777084 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CJYYWOOPZIYVMI-OGNFBWPZSA-N 0 0 477.556 4.533 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)(C(F)(F)F)CC1 ZINC001439123444 1065790575 /nfs/dbraw/zinc/79/05/75/1065790575.db2.gz FPSNCBRZJVHMAS-NPFVIJTESA-N 0 0 459.553 4.531 20 0 JJADRN C[C@@H](N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cccs2)CC1)C(F)(F)F ZINC001360748814 1065790885 /nfs/dbraw/zinc/79/08/85/1065790885.db2.gz GWYDTCMIJWWGCQ-JKSUJKDBSA-N 0 0 483.535 4.740 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439130976 1065791223 /nfs/dbraw/zinc/79/12/23/1065791223.db2.gz DIJNUEKRMLOFBF-BYVYTNPCSA-N 0 0 450.579 4.854 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@]1(C(F)(F)F)CCC[C@@H](C(C)(C)C)CC1)C2=O ZINC001439133672 1065791520 /nfs/dbraw/zinc/79/15/20/1065791520.db2.gz VGPKLMSGZCLZFV-DJDZNOHASA-N 0 0 459.553 4.531 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c(Cl)c1 ZINC001439134513 1065791566 /nfs/dbraw/zinc/79/15/66/1065791566.db2.gz 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QWASWAGKRPAZQW-VIFPVBQESA-N 0 0 450.686 4.623 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC(C)C)c(C(C)=O)c2)c(Br)cc1F ZINC001360751903 1065798391 /nfs/dbraw/zinc/79/83/91/1065798391.db2.gz DVCDGZFQKLXMHV-UHFFFAOYSA-N 0 0 452.276 4.617 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc2c(Br)cccc12 ZINC001439205929 1065798444 /nfs/dbraw/zinc/79/84/44/1065798444.db2.gz RMYLQFDSISEACF-HXUWFJFHSA-N 0 0 452.304 4.863 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC001439205778 1065798502 /nfs/dbraw/zinc/79/85/02/1065798502.db2.gz YJGJGRJVDPDDOZ-HXUWFJFHSA-N 0 0 452.507 4.602 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC001439205138 1065798513 /nfs/dbraw/zinc/79/85/13/1065798513.db2.gz VNNQWTPSASWPHU-CYFREDJKSA-N 0 0 457.526 4.691 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360753297 1065798943 /nfs/dbraw/zinc/79/89/43/1065798943.db2.gz AKZWJLIOAZJZIG-INIZCTEOSA-N 0 0 476.021 4.785 20 0 JJADRN 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20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccn2)n1CCN(C)CC(F)(F)F ZINC001360754362 1065804302 /nfs/dbraw/zinc/80/43/02/1065804302.db2.gz SLRZCTCLLMCGAH-MRXNPFEDSA-N 0 0 482.938 4.597 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CC1([S@](C)=O)CCC1 ZINC001360754617 1065806577 /nfs/dbraw/zinc/80/65/77/1065806577.db2.gz YFIXDVMAHQENLY-PSKUBERUSA-N 0 0 478.968 4.761 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CC1([S@](C)=O)CCC1 ZINC001360754618 1065806722 /nfs/dbraw/zinc/80/67/22/1065806722.db2.gz YFIXDVMAHQENLY-YSVRNHBLSA-N 0 0 478.968 4.761 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CC1(O)CCCCCC1 ZINC001360754709 1065807181 /nfs/dbraw/zinc/80/71/81/1065807181.db2.gz ZMULZQXVCNKSLC-RBUKOAKNSA-N 0 0 463.022 4.630 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269795 1065807991 /nfs/dbraw/zinc/80/79/91/1065807991.db2.gz MCPHXQGUSLWYSA-INDMIFKZSA-N 0 0 472.429 4.868 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@](C)(O)C1CC1 ZINC001360755181 1065808017 /nfs/dbraw/zinc/80/80/17/1065808017.db2.gz AIONVHGOHPCOSR-SPLOXXLWSA-N 0 0 470.923 4.931 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCN(C)CC(F)(F)F ZINC001360755517 1065808762 /nfs/dbraw/zinc/80/87/62/1065808762.db2.gz FATMJXJANUINKH-DOTOQJQBSA-N 0 0 471.955 4.802 20 0 JJADRN CCN(C(=O)CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccccc1 ZINC001439273581 1065808950 /nfs/dbraw/zinc/80/89/50/1065808950.db2.gz QJBQLGNPPVFGEJ-UHFFFAOYSA-N 0 0 459.377 4.508 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)OC2CCCC2)n1CCC(=O)N1CCCCC1 ZINC001360755624 1065809335 /nfs/dbraw/zinc/80/93/35/1065809335.db2.gz GWRHFTJKDXJMOD-SFHVURJKSA-N 0 0 476.021 4.785 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360755626 1065809673 /nfs/dbraw/zinc/80/96/73/1065809673.db2.gz GXAICIYTEZYXEO-PONJGIIJSA-N 0 0 481.975 4.599 20 0 JJADRN 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AUQZEGKAXNTOKF-UHFFFAOYSA-N 0 0 451.118 4.553 20 0 JJADRN CN(C(=O)C1CC1)c1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001439436122 1065828370 /nfs/dbraw/zinc/82/83/70/1065828370.db2.gz FQKWCJRSCXHRTK-UHFFFAOYSA-N 0 0 452.146 4.837 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3ccc(C)nc3s2)[C@@H]1c1ccc(OC)cc1 ZINC001439437195 1065828597 /nfs/dbraw/zinc/82/85/97/1065828597.db2.gz JREDOGFHPIZLRG-NQIIRXRSSA-N 0 0 452.580 4.727 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360759477 1065829094 /nfs/dbraw/zinc/82/90/94/1065829094.db2.gz RZDWPCUTEYYOJQ-LBPRGKRZSA-N 0 0 453.299 4.847 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001360759723 1065829140 /nfs/dbraw/zinc/82/91/40/1065829140.db2.gz ARHWJBNLFPBHLT-JBUDQFAYSA-N 0 0 491.057 4.902 20 0 JJADRN C[S@@](=O)(=NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccccc1Br ZINC001439444665 1065829683 /nfs/dbraw/zinc/82/96/83/1065829683.db2.gz ZZMMYHPGBLAEHN-NDEPHWFRSA-N 0 0 457.349 4.743 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2ccc3cc(Br)cnc3n2)nc1 ZINC001439450156 1065830433 /nfs/dbraw/zinc/83/04/33/1065830433.db2.gz MJBOTIBLXZULGG-UHFFFAOYSA-N 0 0 451.280 4.841 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CC(F)(F)F ZINC001360760192 1065831200 /nfs/dbraw/zinc/83/12/00/1065831200.db2.gz IPWUKCMFVLMDTL-GDBMZVCRSA-N 0 0 458.912 4.887 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)CCCNC(=O)c2ccsc2)c(F)c(F)c1F ZINC001439462521 1065831839 /nfs/dbraw/zinc/83/18/39/1065831839.db2.gz XILPUUFLVOBUKK-UHFFFAOYSA-N 0 0 457.474 4.661 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001360760255 1065831853 /nfs/dbraw/zinc/83/18/53/1065831853.db2.gz JJMOQGSQZIPSSP-QZTJIDSGSA-N 0 0 494.036 4.602 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001360760445 1065832400 /nfs/dbraw/zinc/83/24/00/1065832400.db2.gz MGYJREKMUHVKHN-LJQANCHMSA-N 0 0 486.064 4.814 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)c1coc(-c3ccc(Br)cc3F)n1)CCC2 ZINC001439470917 1065832577 /nfs/dbraw/zinc/83/25/77/1065832577.db2.gz QOAXCEFKLKOENC-UHFFFAOYSA-N 0 0 459.271 4.623 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)nc1C(F)(F)F ZINC001439487021 1065833002 /nfs/dbraw/zinc/83/30/02/1065833002.db2.gz NJTSWXQPDNPIQB-UHFFFAOYSA-N 0 0 455.776 4.963 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CCCC(F)(F)F ZINC001360760601 1065833179 /nfs/dbraw/zinc/83/31/79/1065833179.db2.gz PIDDAJSKDOILRI-ZYSHUDEJSA-N 0 0 488.938 4.798 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1CCCC(F)(F)F ZINC001360760599 1065833295 /nfs/dbraw/zinc/83/32/95/1065833295.db2.gz PIDDAJSKDOILRI-KFKAGJAMSA-N 0 0 488.938 4.798 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001360760788 1065834707 /nfs/dbraw/zinc/83/47/07/1065834707.db2.gz SQCCPQYUTODNAA-LZLYRXPVSA-N 0 0 489.945 4.894 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001439495343 1065834651 /nfs/dbraw/zinc/83/46/51/1065834651.db2.gz BXVNVUANBOAYET-HFJWLAOPSA-N 0 0 454.542 4.562 20 0 JJADRN Cn1c(Cl)c(Cl)cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001439502799 1065835276 /nfs/dbraw/zinc/83/52/76/1065835276.db2.gz OHYOOJPGCNCJDY-GFCCVEGCSA-N 0 0 456.345 4.815 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@](C)(O)c1ccco1 ZINC001360760949 1065835341 /nfs/dbraw/zinc/83/53/41/1065835341.db2.gz VSAGGWMXMNDJLT-SRGWNRLKSA-N 0 0 474.989 4.576 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ncoc2-c2ccccc2)C1 ZINC001439508234 1065836927 /nfs/dbraw/zinc/83/69/27/1065836927.db2.gz YTKLNHFFOWQDQY-INIZCTEOSA-N 0 0 451.498 4.825 20 0 JJADRN Cc1c(I)ccc(NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)c1C ZINC001439508746 1065837027 /nfs/dbraw/zinc/83/70/27/1065837027.db2.gz QKKUKCPZHLABOU-UHFFFAOYSA-N 0 0 458.340 4.636 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001360761419 1065837065 /nfs/dbraw/zinc/83/70/65/1065837065.db2.gz HPKUQNDDRYLEGL-HKUYNNGSSA-N 0 0 455.986 4.840 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)C2([C@@H]3CCCCO3)CCOCC2)c1)c1ccccc1 ZINC001360762012 1065837782 /nfs/dbraw/zinc/83/77/82/1065837782.db2.gz XUCDKVFGUSRNCJ-QFIPXVFZSA-N 0 0 456.970 4.921 20 0 JJADRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001439547170 1065839661 /nfs/dbraw/zinc/83/96/61/1065839661.db2.gz LEMPIYYKJHYDCP-HNNXBMFYSA-N 0 0 458.402 4.942 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001439549358 1065840269 /nfs/dbraw/zinc/84/02/69/1065840269.db2.gz QIBFMZLCWKLBCO-VXKWHMMOSA-N 0 0 458.986 4.766 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 ZINC001439549855 1065840425 /nfs/dbraw/zinc/84/04/25/1065840425.db2.gz SDZNCRICGGBYLC-HNNXBMFYSA-N 0 0 459.917 4.959 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001439549359 1065840460 /nfs/dbraw/zinc/84/04/60/1065840460.db2.gz QIBFMZLCWKLBCO-YADHBBJMSA-N 0 0 458.986 4.766 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOCC(F)F)CCS1 ZINC001360762759 1065840816 /nfs/dbraw/zinc/84/08/16/1065840816.db2.gz KZQAXXWCKUMVQO-YJBOKZPZSA-N 0 0 475.005 4.931 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NC[C@@]3(c4ccccc4)CCCO3)cc2)c(C)c1Br ZINC001439554500 1065841137 /nfs/dbraw/zinc/84/11/37/1065841137.db2.gz PMVOFWRILBBNST-HSZRJFAPSA-N 0 0 454.368 4.687 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(COc3ccc(Br)cc3)o1)[C@@H]2C ZINC001439557429 1065841152 /nfs/dbraw/zinc/84/11/52/1065841152.db2.gz UAHKVWMOWDZKTO-CQSZACIVSA-N 0 0 459.344 4.553 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 ZINC001439553273 1065841169 /nfs/dbraw/zinc/84/11/69/1065841169.db2.gz JUOKPNZCHMNDMX-NRFANRHFSA-N 0 0 457.477 4.537 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H]1CCCOC1 ZINC001360762762 1065841485 /nfs/dbraw/zinc/84/14/85/1065841485.db2.gz LALIDYNDYZODOJ-IRXDYDNUSA-N 0 0 451.036 4.830 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(Br)c(Cl)c1 ZINC001439568755 1065841842 /nfs/dbraw/zinc/84/18/42/1065841842.db2.gz DPGDSYGHYVAPEB-YJBOKZPZSA-N 0 0 454.723 4.692 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(Br)c(Cl)c1 ZINC001439568747 1065841887 /nfs/dbraw/zinc/84/18/87/1065841887.db2.gz DPGDSYGHYVAPEB-MAUKXSAKSA-N 0 0 454.723 4.692 20 0 JJADRN Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CCCO2)c(I)cc1Cl ZINC001439561497 1065841931 /nfs/dbraw/zinc/84/19/31/1065841931.db2.gz LNNUJDKORJIDLH-LJQANCHMSA-N 0 0 455.723 4.689 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC001360762932 1065842152 /nfs/dbraw/zinc/84/21/52/1065842152.db2.gz NJMWPVCIIPGCHR-FVJLSDCUSA-N 0 0 458.994 5.000 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1(O)CCCC1 ZINC001360763122 1065842597 /nfs/dbraw/zinc/84/25/97/1065842597.db2.gz QSHGBKIIBZEASM-IKGGRYGDSA-N 0 0 451.036 4.707 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001439582143 1065843228 /nfs/dbraw/zinc/84/32/28/1065843228.db2.gz FUOLSBIJYPHWJL-LJQANCHMSA-N 0 0 458.562 4.878 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCO[C@H]1CCOC1 ZINC001360763541 1065843630 /nfs/dbraw/zinc/84/36/30/1065843630.db2.gz YAPBFWHTQWMSDH-IIMDRIAPSA-N 0 0 499.002 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)c2ccccc21 ZINC001439583629 1065844058 /nfs/dbraw/zinc/84/40/58/1065844058.db2.gz ISJDPRUKGWYBFP-MSOLQXFVSA-N 0 0 450.526 4.578 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 ZINC001439584944 1065844068 /nfs/dbraw/zinc/84/40/68/1065844068.db2.gz SRXXGJWGOOOGKA-UHFFFAOYSA-N 0 0 453.539 4.623 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001360764437 1065844986 /nfs/dbraw/zinc/84/49/86/1065844986.db2.gz AKGWOICULJRSDM-UGKGYDQZSA-N 0 0 487.645 4.612 20 0 JJADRN O=C(c1cccn1-c1cccc(I)c1)N(CCc1ccccc1)C1CC1 ZINC001439592893 1065845994 /nfs/dbraw/zinc/84/59/94/1065845994.db2.gz UQIVGGKBEAJBOD-UHFFFAOYSA-N 0 0 456.327 4.929 20 0 JJADRN Cn1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1I ZINC001439599325 1065847017 /nfs/dbraw/zinc/84/70/17/1065847017.db2.gz UADZOPKLSPOAEL-UHFFFAOYSA-N 0 0 453.667 4.723 20 0 JJADRN COC[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC)C(C)C ZINC001439608871 1065847655 /nfs/dbraw/zinc/84/76/55/1065847655.db2.gz IAEPSGBZNJUPOJ-CHZKFRDHSA-N 0 0 452.595 4.523 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)c1cc(Br)cnc1F ZINC001439616516 1065848181 /nfs/dbraw/zinc/84/81/81/1065848181.db2.gz UJGAJRAJDNIHLG-UHFFFAOYSA-N 0 0 456.924 4.983 20 0 JJADRN Cn1nc(C2CC2)cc1CNC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001439614689 1065848422 /nfs/dbraw/zinc/84/84/22/1065848422.db2.gz LYXHXUNIPDKUPS-NRFANRHFSA-N 0 0 458.331 4.636 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccs2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360765071 1065848261 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458.303 4.995 20 0 JJADRN CSC[C@H](C(=O)Nc1cccc(Oc2ccccc2C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001439775874 1065874219 /nfs/dbraw/zinc/87/42/19/1065874219.db2.gz QSEUNEFKYGLVNG-NJDAHSKKSA-N 0 0 452.576 4.633 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001439776567 1065874337 /nfs/dbraw/zinc/87/43/37/1065874337.db2.gz XKNQIPXELDXSPL-JKSUJKDBSA-N 0 0 457.368 4.572 20 0 JJADRN Cc1ccccc1Oc1cccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)c1 ZINC001439777432 1065874755 /nfs/dbraw/zinc/87/47/55/1065874755.db2.gz SUTVPDGDCCYTSO-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCC(C)(C)O ZINC001360774803 1065874800 /nfs/dbraw/zinc/87/48/00/1065874800.db2.gz TZSGPOJCLBMJEW-RBUKOAKNSA-N 0 0 487.645 4.663 20 0 JJADRN CCOC(=O)C1([C@@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)CCOCC1 ZINC001439777359 1065874866 /nfs/dbraw/zinc/87/48/66/1065874866.db2.gz SKPAEDPCZSHSQR-GOSISDBHSA-N 0 0 454.592 4.544 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)cc21 ZINC001439777461 1065875137 /nfs/dbraw/zinc/87/51/37/1065875137.db2.gz TZUYDSNXLJQUNJ-UITAMQMPSA-N 0 0 452.860 4.936 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCCC1CCCC1 ZINC001360774934 1065875231 /nfs/dbraw/zinc/87/52/31/1065875231.db2.gz QAWIKPACAIZLTC-FPOVZHCZSA-N 0 0 492.661 4.931 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)c1csc(C2CC2)n1 ZINC001439779959 1065875743 /nfs/dbraw/zinc/87/57/43/1065875743.db2.gz TYGXOPJELNHUTR-LJQANCHMSA-N 0 0 452.361 4.863 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360775018 1065876107 /nfs/dbraw/zinc/87/61/07/1065876107.db2.gz QLTGFJYOSYBVSJ-IBGZPJMESA-N 0 0 496.631 4.850 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001439785850 1065876321 /nfs/dbraw/zinc/87/63/21/1065876321.db2.gz GSBCVXAFMGOBEF-XMSQKQJNSA-N 0 0 456.608 4.563 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1(C)CCC1 ZINC001360775143 1065876731 /nfs/dbraw/zinc/87/67/31/1065876731.db2.gz YECHOMMAYOBRPR-KRWDZBQOSA-N 0 0 469.527 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)C1 ZINC001439788000 1065876771 /nfs/dbraw/zinc/87/67/71/1065876771.db2.gz JRMYPHGMZPSGNY-UHFFFAOYSA-N 0 0 452.551 4.719 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCCC(C)(C)C ZINC001360775412 1065877435 /nfs/dbraw/zinc/87/74/35/1065877435.db2.gz TXGSASWYTMWMKU-RBUKOAKNSA-N 0 0 455.582 4.817 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360775439 1065878116 /nfs/dbraw/zinc/87/81/16/1065878116.db2.gz ULGVRYQICKFJPM-IAGOWNOFSA-N 0 0 469.527 4.820 20 0 JJADRN NC(=O)c1c(F)cc(Cl)cc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC001439791020 1065878081 /nfs/dbraw/zinc/87/80/81/1065878081.db2.gz FORFOSUNYBVBKP-UHFFFAOYSA-N 0 0 452.848 4.822 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCCCn1cc(Br)cn1 ZINC001360775591 1065878751 /nfs/dbraw/zinc/87/87/51/1065878751.db2.gz WJUROYCVAHQZME-SJORKVTESA-N 0 0 491.409 4.985 20 0 JJADRN NC(=O)c1c(F)cc(Cl)cc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001439794182 1065878635 /nfs/dbraw/zinc/87/86/35/1065878635.db2.gz YTVKZNNTQCUOCS-UHFFFAOYSA-N 0 0 454.820 4.686 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1[C@H]1C[C@@H]1C ZINC001360775683 1065879488 /nfs/dbraw/zinc/87/94/88/1065879488.db2.gz YBCDIFCXPORIEA-GNBUJSLZSA-N 0 0 457.594 4.517 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(I)c(Cl)c2)c1 ZINC001439796351 1065879425 /nfs/dbraw/zinc/87/94/25/1065879425.db2.gz BTJARLCOLPYLDZ-TZMCWYRMSA-N 0 0 457.695 4.704 20 0 JJADRN CCc1c(C(=O)N(CCc2ccccc2)c2ccc(OC)cc2)nnn1Cc1ccc(F)cc1 ZINC001360776106 1065879912 /nfs/dbraw/zinc/87/99/12/1065879912.db2.gz AASGWVSIEFGUIG-UHFFFAOYSA-N 0 0 458.537 4.926 20 0 JJADRN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC001360776418 1065880709 /nfs/dbraw/zinc/88/07/09/1065880709.db2.gz MNRNQAJFGOKOSF-SFHVURJKSA-N 0 0 452.942 4.613 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cccn3ncc(Br)c23)cc1 ZINC001360777125 1065881211 /nfs/dbraw/zinc/88/12/11/1065881211.db2.gz PJLYCVIJGQUOJC-UHFFFAOYSA-N 0 0 450.336 4.995 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1C(C)C ZINC001360777089 1065881523 /nfs/dbraw/zinc/88/15/23/1065881523.db2.gz WWPYPAWTCKZJTE-HXUWFJFHSA-N 0 0 450.970 4.883 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360777596 1065881922 /nfs/dbraw/zinc/88/19/22/1065881922.db2.gz BIBRXXMIPZZOEA-ZDUSSCGKSA-N 0 0 485.507 4.696 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001439820710 1065882090 /nfs/dbraw/zinc/88/20/90/1065882090.db2.gz FNWVJYGQTOWNSA-RBUKOAKNSA-N 0 0 461.672 4.887 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC1=CCCCC1 ZINC001360777600 1065882063 /nfs/dbraw/zinc/88/20/63/1065882063.db2.gz BIZNIIXZMFFQQO-KXBFYZLASA-N 0 0 454.468 4.825 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC1=CCCCC1 ZINC001360777597 1065882193 /nfs/dbraw/zinc/88/21/93/1065882193.db2.gz BIZNIIXZMFFQQO-BEFAXECRSA-N 0 0 454.468 4.825 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001439823321 1065883052 /nfs/dbraw/zinc/88/30/52/1065883052.db2.gz CRJPKZMZOGFQJN-GOSISDBHSA-N 0 0 453.539 4.533 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1Cc1cccnc1OCC(F)F ZINC001360777882 1065883196 /nfs/dbraw/zinc/88/31/96/1065883196.db2.gz HHTPQGOOOOSQNI-JKSUJKDBSA-N 0 0 493.555 4.586 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001360778236 1065883908 /nfs/dbraw/zinc/88/39/08/1065883908.db2.gz MLKIDQBPSFHNHR-GJZGRUSLSA-N 0 0 492.418 4.705 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360778074 1065883960 /nfs/dbraw/zinc/88/39/60/1065883960.db2.gz KGMVPDXMIHBEFV-KOSHJBKYSA-N 0 0 460.594 4.504 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(Br)nc(Br)c2)C2CCC2)cc1 ZINC001439832043 1065884498 /nfs/dbraw/zinc/88/44/98/1065884498.db2.gz HZWFEKKWPCWMKX-QGZVFWFLSA-N 0 0 454.162 4.886 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001360778680 1065885159 /nfs/dbraw/zinc/88/51/59/1065885159.db2.gz RFGPRSDEDKZBBN-QZTJIDSGSA-N 0 0 493.649 4.804 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)nc1I ZINC001360778791 1065885680 /nfs/dbraw/zinc/88/56/80/1065885680.db2.gz FDPCIRNJZCMWEK-KSSFIOAISA-N 0 0 450.320 4.617 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CCO1 ZINC001360779093 1065885717 /nfs/dbraw/zinc/88/57/17/1065885717.db2.gz VFFQLBWROUJFCQ-DYESRHJHSA-N 0 0 489.979 4.546 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)nc1I ZINC001360778790 1065885745 /nfs/dbraw/zinc/88/57/45/1065885745.db2.gz FDPCIRNJZCMWEK-KDOFPFPSSA-N 0 0 450.320 4.617 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001439844913 1065885920 /nfs/dbraw/zinc/88/59/20/1065885920.db2.gz QQQWHFJGHLUOMU-IBGZPJMESA-N 0 0 452.551 4.516 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCc1cccs1 ZINC001360779219 1065886285 /nfs/dbraw/zinc/88/62/85/1065886285.db2.gz VJTSOYKXMAZCIC-KSSFIOAISA-N 0 0 470.492 4.629 20 0 JJADRN O=C(Nc1nc2ccc3scnc3c2s1)c1cc(F)ccc1I ZINC001439848628 1065886322 /nfs/dbraw/zinc/88/63/22/1065886322.db2.gz FSEHQQKQSCJVOI-UHFFFAOYSA-N 0 0 455.277 4.902 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@@H](O)C2)CCS1 ZINC001360779547 1065886901 /nfs/dbraw/zinc/88/69/01/1065886901.db2.gz ZRLGZKYYVXMLHO-JYLXEMOASA-N 0 0 462.635 4.686 20 0 JJADRN C[C@H](OCCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360779828 1065887617 /nfs/dbraw/zinc/88/76/17/1065887617.db2.gz BNFYJYADDKMJSP-NZQKXSOJSA-N 0 0 499.656 4.791 20 0 JJADRN CC[C@@H]1CCCc2sc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c3)nc21 ZINC001439864472 1065887645 /nfs/dbraw/zinc/88/76/45/1065887645.db2.gz LXCAZTWYGLCYRV-GFCCVEGCSA-N 0 0 456.033 4.956 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3Br)ccc2s1 ZINC001439869571 1065887914 /nfs/dbraw/zinc/88/79/14/1065887914.db2.gz FPPLRPKRLIJJOC-SNVBAGLBSA-N 0 0 452.301 4.996 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H](C)c2ccccc2)CCS1 ZINC001360780182 1065888226 /nfs/dbraw/zinc/88/82/26/1065888226.db2.gz FHNOWNJRJBPCBZ-MDNUFGMLSA-N 0 0 458.672 4.918 20 0 JJADRN Cc1ccc(Cl)cc1CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001439876456 1065888432 /nfs/dbraw/zinc/88/84/32/1065888432.db2.gz WEOVIICUDNNCKA-UHFFFAOYSA-N 0 0 454.979 4.720 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001360780358 1065888832 /nfs/dbraw/zinc/88/88/32/1065888832.db2.gz XJCCCRPPZIKEPG-LSDHHAIUSA-N 0 0 455.407 4.605 20 0 JJADRN CCCOc1ccc(C(=O)NCc2ncc(Br)cn2)c(OCc2ccccc2)c1 ZINC001439891730 1065889113 /nfs/dbraw/zinc/88/91/13/1065889113.db2.gz CJTBISDWYJNFCY-UHFFFAOYSA-N 0 0 456.340 4.537 20 0 JJADRN CN1C(=O)CN(C(=O)C/C=C\c2ccc(Br)cc2)c2ccc(C(F)(F)F)cc21 ZINC001439895157 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CC1(C)CCC[C@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360802342 1065913786 /nfs/dbraw/zinc/91/37/86/1065913786.db2.gz DSPMEFDLAWVUNL-QFIPXVFZSA-N 0 0 470.511 4.716 20 0 JJADRN CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccoc2CC(C)(C)C1)C(F)(F)F ZINC001360802179 1065913878 /nfs/dbraw/zinc/91/38/78/1065913878.db2.gz AJIBLRNIXIDLLF-UHFFFAOYSA-N 0 0 476.503 4.696 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC=C(Br)C1 ZINC001360802807 1065914174 /nfs/dbraw/zinc/91/41/74/1065914174.db2.gz NWTQHHMWHPCOGV-JOCHJYFZSA-N 0 0 481.385 4.577 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360802514 1065914272 /nfs/dbraw/zinc/91/42/72/1065914272.db2.gz ILQBWBATSYWVIC-JOCHJYFZSA-N 0 0 470.511 4.716 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1ccc(-n2cccn2)cc1)C(F)(F)F ZINC001440126451 1065914394 /nfs/dbraw/zinc/91/43/94/1065914394.db2.gz YZISLWJPABRQQV-NRFANRHFSA-N 0 0 453.468 4.751 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001360802894 1065914704 /nfs/dbraw/zinc/91/47/04/1065914704.db2.gz PLVJMXDSYLVMHW-OAQYLSRUSA-N 0 0 450.425 4.747 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(Oc3cccc(Br)c3)nc2)no1 ZINC001360804736 1065915733 /nfs/dbraw/zinc/91/57/33/1065915733.db2.gz YXKIKOQEMBOJNI-KRWDZBQOSA-N 0 0 457.328 4.949 20 0 JJADRN CCc1ccc(-c2nc(C(=O)Oc3cnn4c3CN(C(=O)OC(C)(C)C)CC4)cs2)cc1 ZINC001440142651 1065915771 /nfs/dbraw/zinc/91/57/71/1065915771.db2.gz PUMPHSKJJZETGJ-UHFFFAOYSA-N 0 0 454.552 4.539 20 0 JJADRN CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC(C)(C)C1)C(F)(F)F ZINC001360804970 1065916296 /nfs/dbraw/zinc/91/62/96/1065916296.db2.gz CWPTUDJJBZADQC-UHFFFAOYSA-N 0 0 458.550 4.564 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001360805026 1065916322 /nfs/dbraw/zinc/91/63/22/1065916322.db2.gz FSWWXZIFMFRMID-GJZGRUSLSA-N 0 0 494.865 4.889 20 0 JJADRN CC1(C)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC2CCCC2)C1 ZINC001360805041 1065916377 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RYOONQLQQBHZPZ-UHFFFAOYSA-N 0 0 453.675 4.980 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360805653 1065917930 /nfs/dbraw/zinc/91/79/30/1065917930.db2.gz WHDAZAGTTNBFMX-QZTJIDSGSA-N 0 0 466.598 4.656 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCn2ccnn2)C1 ZINC001360805663 1065917950 /nfs/dbraw/zinc/91/79/50/1065917950.db2.gz WMRSFBSRTUSBDZ-UHFFFAOYSA-N 0 0 478.826 4.669 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360805629 1065917995 /nfs/dbraw/zinc/91/79/95/1065917995.db2.gz VVCAXBBYKDFEHI-JKSUJKDBSA-N 0 0 451.587 4.577 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001440156546 1065918090 /nfs/dbraw/zinc/91/80/90/1065918090.db2.gz WJCFFQOAHQVUQR-KRWDZBQOSA-N 0 0 455.603 4.657 20 0 JJADRN Cc1ccc2c(C(=O)NCc3cccc(OCC(F)F)c3)cc(-c3cnn(C)c3)nc2c1C ZINC001360806398 1065918894 /nfs/dbraw/zinc/91/88/94/1065918894.db2.gz HRJHMFDZHVDCAE-UHFFFAOYSA-N 0 0 450.489 4.826 20 0 JJADRN O=C(Nc1ncc(Oc2ccccc2)cn1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001440165577 1065919094 /nfs/dbraw/zinc/91/90/94/1065919094.db2.gz UVHPJEIOXHLVJF-UHFFFAOYSA-N 0 0 455.511 4.523 20 0 JJADRN O=C(NCc1cccc(OCC(F)F)c1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001360806991 1065919366 /nfs/dbraw/zinc/91/93/66/1065919366.db2.gz ULVFKJMZYNYKCP-FQEVSTJZSA-N 0 0 453.327 4.546 20 0 JJADRN CC1(C)CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCC(F)(F)C(F)F)C1 ZINC001360807825 1065919941 /nfs/dbraw/zinc/91/99/41/1065919941.db2.gz BZJTWRCLGVTKJQ-UHFFFAOYSA-N 0 0 467.511 4.894 20 0 JJADRN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001440170202 1065920305 /nfs/dbraw/zinc/92/03/05/1065920305.db2.gz PJBPKYXAUANTGJ-ZJSXRUAMSA-N 0 0 476.495 4.754 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)nn1-c1ccc(C)cc1 ZINC001440171345 1065920319 /nfs/dbraw/zinc/92/03/19/1065920319.db2.gz NDANEISCDYYAAQ-UHFFFAOYSA-N 0 0 453.564 4.831 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360808501 1065921449 /nfs/dbraw/zinc/92/14/49/1065921449.db2.gz NKQKGGWNJHCLPS-UHFFFAOYSA-N 0 0 499.450 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)COc2cccc(Cl)c2)CC1 ZINC001440180805 1065921968 /nfs/dbraw/zinc/92/19/68/1065921968.db2.gz KDXGMWKTSIPSKL-UHFFFAOYSA-N 0 0 450.885 4.509 20 0 JJADRN CC(C)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)N1CCOCC1 ZINC001360808793 1065922148 /nfs/dbraw/zinc/92/21/48/1065922148.db2.gz USRPMEHGMKSFCC-UHFFFAOYSA-N 0 0 496.483 4.901 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(COc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1 ZINC001360808657 1065922212 /nfs/dbraw/zinc/92/22/12/1065922212.db2.gz SKEMHXYWOCPQNM-UHFFFAOYSA-N 0 0 497.562 4.783 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001440201244 1065923735 /nfs/dbraw/zinc/92/37/35/1065923735.db2.gz WMYRPJHBZUKNJY-HFTRVMKXSA-N 0 0 477.365 4.569 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001440209987 1065924152 /nfs/dbraw/zinc/92/41/52/1065924152.db2.gz DMRXYULJHHEBNJ-YEEBJNCVSA-N 0 0 459.373 4.924 20 0 JJADRN CSCC[C@@H](C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001440211149 1065924253 /nfs/dbraw/zinc/92/42/53/1065924253.db2.gz LJFNREUFTMOFHG-VIZZQPHQSA-N 0 0 477.413 4.631 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)c1)c1ccccc1 ZINC001440217293 1065924581 /nfs/dbraw/zinc/92/45/81/1065924581.db2.gz WWEYVMARQBFPMY-IRXDYDNUSA-N 0 0 454.979 4.971 20 0 JJADRN C[C@@H]1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)[C@H](C(F)(F)F)C1 ZINC001440213126 1065924674 /nfs/dbraw/zinc/92/46/74/1065924674.db2.gz DCSDVFVLMLXUJQ-QAPCUYQASA-N 0 0 464.513 4.868 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCOC[C@@H]1CCOC1 ZINC001360811364 1065924746 /nfs/dbraw/zinc/92/47/46/1065924746.db2.gz PDKVMICCSAZDJQ-INIZCTEOSA-N 0 0 481.410 4.669 20 0 JJADRN COc1cc(-c2ccccc2)sc1C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001440244711 1065925762 /nfs/dbraw/zinc/92/57/62/1065925762.db2.gz DWXVTZITHHJKHH-UHFFFAOYSA-N 0 0 455.479 4.647 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](CC)c1ccccc1 ZINC001545929432 1065925851 /nfs/dbraw/zinc/92/58/51/1065925851.db2.gz YDXUMSBAIJCBEX-DENIHFKCSA-N 0 0 455.647 4.642 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(Br)c(OC)c2)c2ccncc2)cc1 ZINC001360813712 1065926221 /nfs/dbraw/zinc/92/62/21/1065926221.db2.gz YELASFCUAMDFEY-UHFFFAOYSA-N 0 0 457.324 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)CCC[C@@H]12 ZINC001440272102 1065926896 /nfs/dbraw/zinc/92/68/96/1065926896.db2.gz FCXZTOUVSNJEDU-GCJKJVERSA-N 0 0 465.381 4.841 20 0 JJADRN CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440282538 1065927798 /nfs/dbraw/zinc/92/77/98/1065927798.db2.gz UNEITHXEBSGEFE-KBAYOESNSA-N 0 0 456.505 4.937 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001440283296 1065927812 /nfs/dbraw/zinc/92/78/12/1065927812.db2.gz VBWXPFRBROZNMX-LMMUWCHVSA-N 0 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CC1(C)CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(I)cc2)CC1 ZINC001360815970 1065929026 /nfs/dbraw/zinc/92/90/26/1065929026.db2.gz POBOGCZDVLLAOI-GOSISDBHSA-N 0 0 480.394 4.799 20 0 JJADRN CCc1cc(C(=O)N[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1Br ZINC001440298953 1065929303 /nfs/dbraw/zinc/92/93/03/1065929303.db2.gz POEUPTPDGABHOV-HXUWFJFHSA-N 0 0 455.318 4.948 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545930114 1065929847 /nfs/dbraw/zinc/92/98/47/1065929847.db2.gz ABVSHHISFQZSEK-VWLOTQADSA-N 0 0 492.064 4.548 20 0 JJADRN CC1(C)CCO[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360817142 1065930030 /nfs/dbraw/zinc/93/00/30/1065930030.db2.gz GGKHSIGGKWFGIY-KRWDZBQOSA-N 0 0 492.373 4.751 20 0 JJADRN CC1(C)CCO[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360817143 1065930041 /nfs/dbraw/zinc/93/00/41/1065930041.db2.gz GGKHSIGGKWFGIY-QGZVFWFLSA-N 0 0 492.373 4.751 20 0 JJADRN CC1(C)CCO[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 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CCc1noc(-c2ccc(CCNC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)cc2)n1 ZINC001360856211 1065974904 /nfs/dbraw/zinc/97/49/04/1065974904.db2.gz MYZXZHMCDGVHSN-UHFFFAOYSA-N 0 0 454.530 4.548 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)N2C(=O)OC(C)(C)C ZINC001440744281 1065975037 /nfs/dbraw/zinc/97/50/37/1065975037.db2.gz FJHFHQTWWUUVEO-SFHVURJKSA-N 0 0 450.457 4.876 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cc(F)c(Br)cc2N)cc1 ZINC001440752867 1065976118 /nfs/dbraw/zinc/97/61/18/1065976118.db2.gz FTCFDRIUDNIILS-UHFFFAOYSA-N 0 0 459.271 4.651 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(I)cc2O)cc1 ZINC001440752526 1065976148 /nfs/dbraw/zinc/97/61/48/1065976148.db2.gz DXIXAWGRTRIWCT-SFHVURJKSA-N 0 0 451.304 4.763 20 0 JJADRN CCOc1ccc(OCC)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c1 ZINC001440754679 1065976451 /nfs/dbraw/zinc/97/64/51/1065976451.db2.gz SNZXJYSPPLYPFE-UHFFFAOYSA-N 0 0 456.445 4.972 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360857912 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BBQBNAQHRQLBDW-RCCKNPSSSA-N 0 0 458.514 4.716 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(F)(F)F ZINC001360858548 1065978292 /nfs/dbraw/zinc/97/82/92/1065978292.db2.gz OCIABSVFIKMXDP-AWEZNQCLSA-N 0 0 495.571 4.851 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001360858839 1065978617 /nfs/dbraw/zinc/97/86/17/1065978617.db2.gz XZCAUIBMESNHDX-HZPDHXFCSA-N 0 0 492.020 4.789 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)c1C ZINC001360859113 1065978627 /nfs/dbraw/zinc/97/86/27/1065978627.db2.gz GUGNCEGXNXAUQN-FGZHOGPDSA-N 0 0 458.555 4.750 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC001440784082 1065978815 /nfs/dbraw/zinc/97/88/15/1065978815.db2.gz OCGRLECPVSKLJK-XMMPIXPASA-N 0 0 454.998 4.963 20 0 JJADRN CC(C)(CNC(=O)c1cc2ccccc2s1)S(=O)(=O)c1ccc(Br)cc1 ZINC001360860193 1065978870 /nfs/dbraw/zinc/97/88/70/1065978870.db2.gz GTRBBCGEMHRCOP-UHFFFAOYSA-N 0 0 452.395 4.646 20 0 JJADRN 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ZINC001360862573 1065980866 /nfs/dbraw/zinc/98/08/66/1065980866.db2.gz SSQLPVZKUNHDRP-UHFFFAOYSA-N 0 0 491.684 4.988 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)c1C ZINC001360862305 1065980935 /nfs/dbraw/zinc/98/09/35/1065980935.db2.gz MHMPJSWCKRLMOR-GBXCKJPGSA-N 0 0 476.625 4.627 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001360862656 1065981493 /nfs/dbraw/zinc/98/14/93/1065981493.db2.gz VPPKHDIBVUBBRP-FQEVSTJZSA-N 0 0 495.599 4.536 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360862854 1065981816 /nfs/dbraw/zinc/98/18/16/1065981816.db2.gz YHUWCSUBOZZSFN-QZTJIDSGSA-N 0 0 486.016 4.714 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)C(C)C)ccc2C)cc1 ZINC001440824762 1065982115 /nfs/dbraw/zinc/98/21/15/1065982115.db2.gz LMRDGJNWBMSUOZ-DEOSSOPVSA-N 0 0 452.576 4.932 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC001360863909 1065982126 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JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[C@@H]2C)c1C ZINC001360865517 1065984833 /nfs/dbraw/zinc/98/48/33/1065984833.db2.gz CWIRPEQIYGBXPH-GXJJEBCYSA-N 0 0 453.631 4.544 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360865502 1065984904 /nfs/dbraw/zinc/98/49/04/1065984904.db2.gz CPXLKXFAHBRXEU-UXHICEINSA-N 0 0 453.587 4.598 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001360865586 1065985102 /nfs/dbraw/zinc/98/51/02/1065985102.db2.gz DYTFHKPCAPIHLZ-HMXCVIKNSA-N 0 0 488.654 4.551 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@@H](C)C2)c1C ZINC001360865654 1065985209 /nfs/dbraw/zinc/98/52/09/1065985209.db2.gz GJPXXJSNOBEZEV-CNPJFBIHSA-N 0 0 476.687 4.729 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@H](C)C2)c1C ZINC001360865655 1065985251 /nfs/dbraw/zinc/98/52/51/1065985251.db2.gz GJPXXJSNOBEZEV-LOONRQLCSA-N 0 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ZINC001360866585 1065988994 /nfs/dbraw/zinc/98/89/94/1065988994.db2.gz VYSJMLWGJKCFJG-IBVKSMDESA-N 0 0 494.665 4.682 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN2CCOC[C@H]2C)c1C ZINC001360866589 1065989165 /nfs/dbraw/zinc/98/91/65/1065989165.db2.gz WACIRGSPKYMSHQ-IVGWJTKZSA-N 0 0 469.674 4.771 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360866500 1065989307 /nfs/dbraw/zinc/98/93/07/1065989307.db2.gz UIXQAJZRNLNNOR-VQTJNVASSA-N 0 0 465.598 4.871 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)nc2)c1C ZINC001360866570 1065989382 /nfs/dbraw/zinc/98/93/82/1065989382.db2.gz VTNVYYNOYJAGGX-QGZVFWFLSA-N 0 0 462.520 4.543 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)C)n2CCc2nnc3n2CCCCC3)c1C ZINC001360866705 1065990251 /nfs/dbraw/zinc/99/02/51/1065990251.db2.gz XQXZLSIZDHDOTQ-OAQYLSRUSA-N 0 0 465.646 4.688 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2CCCCC2)c1C ZINC001360866685 1065990336 /nfs/dbraw/zinc/99/03/36/1065990336.db2.gz XJUXTJJZMWPFGH-HXUWFJFHSA-N 0 0 455.647 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@H](C)c1ccc(C)cc1 ZINC001545936557 1065990276 /nfs/dbraw/zinc/99/02/76/1065990276.db2.gz OIENZPBYQCSVCD-REWPJTCUSA-N 0 0 467.658 4.562 20 0 JJADRN COc1ccc([C@H](CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890645 1065990376 /nfs/dbraw/zinc/99/03/76/1065990376.db2.gz ATBNYZMMGQHSGH-UGKGYDQZSA-N 0 0 456.468 4.815 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccc(OC)c(F)c3)n2)cc1 ZINC001360868116 1065991070 /nfs/dbraw/zinc/99/10/70/1065991070.db2.gz UHDZKNJJZBNLMU-UHFFFAOYSA-N 0 0 451.454 4.652 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001440894137 1065991098 /nfs/dbraw/zinc/99/10/98/1065991098.db2.gz NGHGYBMDFMZLSN-DYESRHJHSA-N 0 0 451.567 4.728 20 0 JJADRN Cc1c(NC(=O)c2c(C)c(Br)ccc2F)cccc1S(=O)(=O)NC(C)(C)C ZINC001360868172 1065991320 /nfs/dbraw/zinc/99/13/20/1065991320.db2.gz WPKGTLJOPGKHMK-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN O=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001440896807 1065991416 /nfs/dbraw/zinc/99/14/16/1065991416.db2.gz LFYJJQMOYRCZGO-VWLOTQADSA-N 0 0 458.562 4.632 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CCC[C@@H]2C)c1C ZINC001360868338 1065991805 /nfs/dbraw/zinc/99/18/05/1065991805.db2.gz BRGDWKALLCAXNM-CECAUBDESA-N 0 0 454.537 4.975 20 0 JJADRN CCCOc1ccccc1NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001440897865 1065991977 /nfs/dbraw/zinc/99/19/77/1065991977.db2.gz MTIDWLPOSSZDDM-HXUWFJFHSA-N 0 0 453.539 4.506 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC(=O)NC2CCCCC2)c1C ZINC001360868400 1065992094 /nfs/dbraw/zinc/99/20/94/1065992094.db2.gz DHFONSCZUVYYFD-NRFANRHFSA-N 0 0 485.673 4.735 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(C)n1C[C@H]1CCCOC1 ZINC001440902213 1065992903 /nfs/dbraw/zinc/99/29/03/1065992903.db2.gz VONQIPFTAQKITF-LJQANCHMSA-N 0 0 450.539 4.699 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CCSCC(F)(F)F)c1C ZINC001360868684 1065993208 /nfs/dbraw/zinc/99/32/08/1065993208.db2.gz AEYRZYKJKJMBIP-QZTJIDSGSA-N 0 0 472.577 4.946 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)C1 ZINC001440903550 1065993311 /nfs/dbraw/zinc/99/33/11/1065993311.db2.gz ZUPGUYPGWOANTH-UZLBHIALSA-N 0 0 456.543 4.575 20 0 JJADRN Cc1ccc(Sc2ccc(NC(=O)[C@H](CO)NC(=O)OCc3ccccc3)cc2)cc1C ZINC001440911730 1065993372 /nfs/dbraw/zinc/99/33/72/1065993372.db2.gz DILDTMPZIGIFRH-QHCPKHFHSA-N 0 0 450.560 4.680 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360868710 1065993971 /nfs/dbraw/zinc/99/39/71/1065993971.db2.gz ARNMVIGLVPOUMB-SOLBZPMBSA-N 0 0 456.541 4.903 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1NCc1cccnc1 ZINC001440921550 1065993974 /nfs/dbraw/zinc/99/39/74/1065993974.db2.gz QYOYKRMHEPFEAP-UHFFFAOYSA-N 0 0 456.468 4.813 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440922403 1065994298 /nfs/dbraw/zinc/99/42/98/1065994298.db2.gz OVTADFMVNHOTIF-HAGPRARUSA-N 0 0 456.951 4.605 20 0 JJADRN COc1ccc(Cl)cc1CN(C)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001440923575 1065994445 /nfs/dbraw/zinc/99/44/45/1065994445.db2.gz ZVZOLDRCZVPQOR-UHFFFAOYSA-N 0 0 450.988 4.976 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360868821 1065994469 /nfs/dbraw/zinc/99/44/69/1065994469.db2.gz BUBYOLHNAZNSBR-KCZVDYSFSA-N 0 0 456.631 4.855 20 0 JJADRN C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C)[C@@H](C)S(C)(=O)=O ZINC001440925094 1065994816 /nfs/dbraw/zinc/99/48/16/1065994816.db2.gz STUCXANYYAVULQ-YIOZNXECSA-N 0 0 459.011 4.926 20 0 JJADRN CC(C)Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC001440924880 1065994912 /nfs/dbraw/zinc/99/49/12/1065994912.db2.gz YRNPFGQWXBMFET-STZFKDTASA-N 0 0 456.995 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001440924922 1065994923 /nfs/dbraw/zinc/99/49/23/1065994923.db2.gz QRGWBBGENGGJFY-HXUWFJFHSA-N 0 0 451.548 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[C@H]2CCCCO2)c1C ZINC001360868869 1065994886 /nfs/dbraw/zinc/99/48/86/1065994886.db2.gz LBEFMQGKVCALCE-XPWALMASSA-N 0 0 456.631 4.857 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1)OCC(F)(F)F ZINC001440924336 1065994989 /nfs/dbraw/zinc/99/49/89/1065994989.db2.gz ONKHXMNVFZTGHA-UHFFFAOYSA-N 0 0 451.426 4.803 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001440928708 1065995368 /nfs/dbraw/zinc/99/53/68/1065995368.db2.gz PKUCJDYLVQQZSU-UHFFFAOYSA-N 0 0 451.567 4.784 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001440933955 1065995379 /nfs/dbraw/zinc/99/53/79/1065995379.db2.gz NKZPVEVYPUSTOO-BDYUSTAISA-N 0 0 451.526 4.554 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@](C)(O)c2cccs2)c1C ZINC001360869011 1065995438 /nfs/dbraw/zinc/99/54/38/1065995438.db2.gz DASASTYFDWWQRE-FHAGJXEFSA-N 0 0 470.639 4.619 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)F)n2CCn2cc(Br)cn2)c1C ZINC001360868983 1065995544 /nfs/dbraw/zinc/99/55/44/1065995544.db2.gz LOMWFRZPNZJEBW-MRXNPFEDSA-N 0 0 497.388 4.786 20 0 JJADRN Cc1c(N)c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)ccc1Br ZINC001440935946 1065995513 /nfs/dbraw/zinc/99/55/13/1065995513.db2.gz HAUAMEUZPQCBRK-UHFFFAOYSA-N 0 0 458.335 4.716 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869105 1065995890 /nfs/dbraw/zinc/99/58/90/1065995890.db2.gz MEASJHJPKWXYJX-FUPPJEDESA-N 0 0 457.663 4.626 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360869099 1065996090 /nfs/dbraw/zinc/99/60/90/1065996090.db2.gz FAHGUEPYTLJDIT-XPWALMASSA-N 0 0 456.631 4.713 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC001440946996 1065996132 /nfs/dbraw/zinc/99/61/32/1065996132.db2.gz PYDZHRINCMTOAA-UHFFFAOYSA-N 0 0 454.592 4.658 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001440947270 1065996171 /nfs/dbraw/zinc/99/61/71/1065996171.db2.gz RHSBWQLQJFYSNM-HSZRJFAPSA-N 0 0 458.558 4.661 20 0 JJADRN CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C(C)C)cc1 ZINC001440947489 1065996207 /nfs/dbraw/zinc/99/62/07/1065996207.db2.gz SCHNBPVUEDMFFE-OSPHWJPCSA-N 0 0 458.624 4.777 20 0 JJADRN CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001440950930 1065996261 /nfs/dbraw/zinc/99/62/61/1065996261.db2.gz YWSSHMGLZFPAHT-UHFFFAOYSA-N 0 0 450.583 4.637 20 0 JJADRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001440950788 1065996356 /nfs/dbraw/zinc/99/63/56/1065996356.db2.gz NLZKZYIMDVUXJD-UHFFFAOYSA-N 0 0 452.433 4.544 20 0 JJADRN Cc1c(F)cccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001440966051 1065997206 /nfs/dbraw/zinc/99/72/06/1065997206.db2.gz GMCNYBVNQYXHBW-MFOYZWKCSA-N 0 0 453.322 4.907 20 0 JJADRN CCc1c(C(=O)NCCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cnn1C(CC)CC ZINC001440966191 1065997403 /nfs/dbraw/zinc/99/74/03/1065997403.db2.gz HMJIBLSQBLVLSO-KGENOOAVSA-N 0 0 454.596 4.581 20 0 JJADRN O=C(Nc1ccc2[nH]ccc2c1)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001440968519 1065997775 /nfs/dbraw/zinc/99/77/75/1065997775.db2.gz ITCSWHWTBVAXBS-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1C ZINC001360869449 1065998152 /nfs/dbraw/zinc/99/81/52/1065998152.db2.gz HNIGQVPUHRPYHU-YYTDSSBASA-N 0 0 497.684 4.576 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001440977760 1065998809 /nfs/dbraw/zinc/99/88/09/1065998809.db2.gz RUMNFPVJPPSMCG-QGZVFWFLSA-N 0 0 456.530 4.825 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2Cc2nccn2C(F)F)c1C ZINC001360869865 1065999308 /nfs/dbraw/zinc/99/93/08/1065999308.db2.gz RECNAOPMAICHMR-RTBURBONSA-N 0 0 474.556 4.538 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CC(C)C)C(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)c1C ZINC001360869854 1065999793 /nfs/dbraw/zinc/99/97/93/1065999793.db2.gz KYQGRWMOQYBHBB-IDISGSTGSA-N 0 0 467.658 4.917 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3(Cc4ccccc4)CC3)cc2)ccc1F ZINC001545937297 1065999681 /nfs/dbraw/zinc/99/96/81/1065999681.db2.gz JRWLKUPTYZYXFP-UHFFFAOYSA-N 0 0 452.551 4.688 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2)cc1 ZINC001441005635 1065999722 /nfs/dbraw/zinc/99/97/22/1065999722.db2.gz AHFKIJRWRYEYAX-DEOSSOPVSA-N 0 0 450.560 4.767 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC001441008154 1065999875 /nfs/dbraw/zinc/99/98/75/1065999875.db2.gz RZNRKKHJKAKOJI-DEEXUGAQSA-N 0 0 468.623 4.704 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CC(F)C3)n2Cc2ccc(N(C)C)nc2)c1C ZINC001360869949 1066000230 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BTWRHVUKTWKWHW-OAQYLSRUSA-N 0 0 450.501 4.561 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H]2CCCCC2(F)F)c1C ZINC001360870193 1066001138 /nfs/dbraw/zinc/00/11/38/1066001138.db2.gz NGQZZJYXDATVCO-MISYRCLQSA-N 0 0 475.584 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCc2cnn(C)c2)c1C ZINC001360870251 1066001458 /nfs/dbraw/zinc/00/14/58/1066001458.db2.gz NTGNWPXPHGQPKL-OAQYLSRUSA-N 0 0 480.657 4.795 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001441025147 1066001819 /nfs/dbraw/zinc/00/18/19/1066001819.db2.gz HGXOZRNKKDMRSY-YKSBVNFPSA-N 0 0 456.945 4.799 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CCc1cnccn1 ZINC001360870345 1066002041 /nfs/dbraw/zinc/00/20/41/1066002041.db2.gz XFYLEICJZIRMQM-HXUWFJFHSA-N 0 0 477.638 4.511 20 0 JJADRN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(I)c1N ZINC001441030017 1066002064 /nfs/dbraw/zinc/00/20/64/1066002064.db2.gz VFQHFGQAGCRBGK-UHFFFAOYSA-N 0 0 453.082 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC001441027687 1066002201 /nfs/dbraw/zinc/00/22/01/1066002201.db2.gz HFXZODUDLOMYMV-FQEVSTJZSA-N 0 0 458.990 4.800 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)N[C@H](c3cccs3)c3ccc(F)cc3)cn12 ZINC001441034218 1066002500 /nfs/dbraw/zinc/00/25/00/1066002500.db2.gz AFTGKNBZFNJOJU-SFHVURJKSA-N 0 0 458.312 4.629 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c(OC)c1OC ZINC001441039526 1066002628 /nfs/dbraw/zinc/00/26/28/1066002628.db2.gz PUZRYROQHPHPKP-QFIPXVFZSA-N 0 0 457.523 4.782 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCCOC(C)C)c1C ZINC001360870670 1066002778 /nfs/dbraw/zinc/00/27/78/1066002778.db2.gz PSBOQAGFVDEWQC-PKTZIBPZSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)N2CCOCC2)c1C ZINC001360870686 1066003183 /nfs/dbraw/zinc/00/31/83/1066003183.db2.gz PVGKYRLRIJRLRY-GMAHTHKFSA-N 0 0 481.641 4.764 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC(C)C)C3CCCC3)n2CCn2cncn2)c1C ZINC001360870701 1066003401 /nfs/dbraw/zinc/00/34/01/1066003401.db2.gz PXOGDSGZCIDFRV-OAQYLSRUSA-N 0 0 451.619 4.732 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001441047415 1066003417 /nfs/dbraw/zinc/00/34/17/1066003417.db2.gz YYSMEWMLJUBJEJ-IBGZPJMESA-N 0 0 457.412 4.701 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCOC[C@H]2CCOC2)c1C ZINC001360870941 1066003697 /nfs/dbraw/zinc/00/36/97/1066003697.db2.gz RCKPTOVYSAFKIZ-FAYOUJPWSA-N 0 0 470.658 4.960 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 ZINC001360870862 1066003852 /nfs/dbraw/zinc/00/38/52/1066003852.db2.gz FSTDNQCCWSIQID-UHFFFAOYSA-N 0 0 457.479 4.609 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)Nc1ccccc1 ZINC001441049924 1066003940 /nfs/dbraw/zinc/00/39/40/1066003940.db2.gz KYXAJIFNEMAPCQ-KRWDZBQOSA-N 0 0 456.518 4.905 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001441046589 1066004004 /nfs/dbraw/zinc/00/40/04/1066004004.db2.gz VCMSSCMRDKJSQG-UHFFFAOYSA-N 0 0 451.395 4.810 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)C)c1C ZINC001360871001 1066004108 /nfs/dbraw/zinc/00/41/08/1066004108.db2.gz SJOXTEUPOKIVGW-NQIIRXRSSA-N 0 0 455.647 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360870985 1066004172 /nfs/dbraw/zinc/00/41/72/1066004172.db2.gz RWUOZYGUYAQQHM-ZRCGQRJVSA-N 0 0 469.674 4.628 20 0 JJADRN C/C(=C\C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1cccc(C(F)(F)F)c1 ZINC001441051232 1066004227 /nfs/dbraw/zinc/00/42/27/1066004227.db2.gz ATRXLXUACHZXEG-SAPNQHFASA-N 0 0 456.468 4.503 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)OC3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)c1C ZINC001360870947 1066004302 /nfs/dbraw/zinc/00/43/02/1066004302.db2.gz REJHUTBTYZSIST-HXUWFJFHSA-N 0 0 490.670 4.703 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1F)Nc1ccccc1 ZINC001441052864 1066004319 /nfs/dbraw/zinc/00/43/19/1066004319.db2.gz UVBHHQSKQGJSHX-CQSZACIVSA-N 0 0 452.299 4.544 20 0 JJADRN C[C@H](SCC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC001441051230 1066004436 /nfs/dbraw/zinc/00/44/36/1066004436.db2.gz PGUGXNFXBUXYIJ-HKUYNNGSSA-N 0 0 451.596 4.560 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[C@H]43)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871111 1066004669 /nfs/dbraw/zinc/00/46/69/1066004669.db2.gz UJEBINMMTCDWTN-VAMGGRTRSA-N 0 0 455.603 4.548 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccnn3C)C3CC3)n2CCOC(C)(C)C)c1C ZINC001360871282 1066004683 /nfs/dbraw/zinc/00/46/83/1066004683.db2.gz VVAROIHBOZFORT-HXUWFJFHSA-N 0 0 466.630 4.753 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC(=O)N2CCOCC2)c1C ZINC001360871347 1066004836 /nfs/dbraw/zinc/00/48/36/1066004836.db2.gz WKXADJMKBWERBH-GOTSBHOMSA-N 0 0 497.684 4.689 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545937823 1066004953 /nfs/dbraw/zinc/00/49/53/1066004953.db2.gz ATXIGVAFERQRAZ-IBGZPJMESA-N 0 0 483.604 4.841 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001360871656 1066005516 /nfs/dbraw/zinc/00/55/16/1066005516.db2.gz YWJBYZUPMQXFMJ-FQEVSTJZSA-N 0 0 465.642 4.744 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H]4[C@H](C3)C4(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1C ZINC001360871719 1066005944 /nfs/dbraw/zinc/00/59/44/1066005944.db2.gz ZTMBJHINLSBGMD-PCCBWWKXSA-N 0 0 483.657 4.994 20 0 JJADRN O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001441076172 1066006127 /nfs/dbraw/zinc/00/61/27/1066006127.db2.gz ICOAIXBYFJZSPD-IBGZPJMESA-N 0 0 454.979 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)(n2cccn2)CC1 ZINC001441075298 1066006261 /nfs/dbraw/zinc/00/62/61/1066006261.db2.gz QXYPGPWNKVLIJY-UHFFFAOYSA-N 0 0 454.571 4.569 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc1Cl ZINC001441090896 1066007075 /nfs/dbraw/zinc/00/70/75/1066007075.db2.gz OEGPKXUAFNKSNE-UHFFFAOYSA-N 0 0 452.319 4.805 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n2)cc1 ZINC001441094891 1066007159 /nfs/dbraw/zinc/00/71/59/1066007159.db2.gz ZHXJEEBOYOPNBU-AWEZNQCLSA-N 0 0 450.486 4.644 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2(C)CCC2)c1C ZINC001360872893 1066007268 /nfs/dbraw/zinc/00/72/68/1066007268.db2.gz APOQHGIUKCJMOL-SFTDATJTSA-N 0 0 474.671 4.629 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCOc1cccc(Cl)c1 ZINC001545938272 1066007433 /nfs/dbraw/zinc/00/74/33/1066007433.db2.gz OVBUNOMOZHLINV-FQEVSTJZSA-N 0 0 480.078 4.507 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[C@H]2CCO[C@@H](C)C2)c1C ZINC001360873003 1066007498 /nfs/dbraw/zinc/00/74/98/1066007498.db2.gz BFNYLTXRQNZYDC-JVSAHFFESA-N 0 0 456.631 4.855 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)C1(c3ccc(Cl)cc3Cl)CCCC1)C[C@@H]2O ZINC001441097250 1066007561 /nfs/dbraw/zinc/00/75/61/1066007561.db2.gz HJFTUDVSSHBLJY-SFHVURJKSA-N 0 0 450.362 4.898 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@](C)(O)C2CCCCC2)c1C ZINC001360873044 1066007983 /nfs/dbraw/zinc/00/79/83/1066007983.db2.gz BOJTUAWDIWBXDC-ZVUIFXONSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1C ZINC001360873043 1066007993 /nfs/dbraw/zinc/00/79/93/1066007993.db2.gz BOJTUAWDIWBXDC-ZIHSNCGMSA-N 0 0 470.658 4.981 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1C[C@H](c1ccccc1)C1CC1 ZINC001545938463 1066008009 /nfs/dbraw/zinc/00/80/09/1066008009.db2.gz VUJUHOQFQPLFNK-OAQYLSRUSA-N 0 0 455.672 4.722 20 0 JJADRN CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001441119059 1066008785 /nfs/dbraw/zinc/00/87/85/1066008785.db2.gz KKXPYLMPIIFXBF-HSZRJFAPSA-N 0 0 453.945 4.654 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CC2CCS(=O)(=O)CC2)c1C ZINC001360873445 1066008865 /nfs/dbraw/zinc/00/88/65/1066008865.db2.gz FLGJVOVMWITMEA-GGAORHGYSA-N 0 0 488.698 4.732 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCCNC(=O)C2CCC2)c1C ZINC001360873367 1066008913 /nfs/dbraw/zinc/00/89/13/1066008913.db2.gz DKJOACKFIKODLP-NQIIRXRSSA-N 0 0 453.631 4.578 20 0 JJADRN COc1cccc([C@H](C)NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001441119544 1066009194 /nfs/dbraw/zinc/00/91/94/1066009194.db2.gz XFSYOEJPFVWEKP-BONVTDFDSA-N 0 0 451.308 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C[C@H]1[C@@H]1CCCO1 ZINC001441123384 1066009530 /nfs/dbraw/zinc/00/95/30/1066009530.db2.gz FEPIWMOTZQLZLB-JVPBZIDWSA-N 0 0 457.398 4.804 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)NCc2cc3cccnc3cc2Br)s1 ZINC001545938688 1066009775 /nfs/dbraw/zinc/00/97/75/1066009775.db2.gz BWVTTYVRNOXKJO-UHFFFAOYSA-N 0 0 457.353 4.964 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC2CCCC2)c1C ZINC001360873628 1066009827 /nfs/dbraw/zinc/00/98/27/1066009827.db2.gz HEOGKXILICKZRQ-IFMALSPDSA-N 0 0 453.631 4.707 20 0 JJADRN O=C([C@H](O)c1cccc(Br)c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001441131447 1066010199 /nfs/dbraw/zinc/01/01/99/1066010199.db2.gz PIWWGBCCNRMNDK-QGZVFWFLSA-N 0 0 457.137 4.575 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2=CCCCC2)c1C ZINC001360873637 1066010374 /nfs/dbraw/zinc/01/03/74/1066010374.db2.gz HGXQSTYJJIZKBN-UNMCSNQZSA-N 0 0 451.615 4.627 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cs1 ZINC001441144497 1066010658 /nfs/dbraw/zinc/01/06/58/1066010658.db2.gz GEJMMBZEXCHPSQ-UHFFFAOYSA-N 0 0 454.552 4.881 20 0 JJADRN C[C@@H]1CO[C@@H](C)CN1C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441147674 1066010672 /nfs/dbraw/zinc/01/06/72/1066010672.db2.gz IMCQIBIQYCQZIN-MOPGFXCFSA-N 0 0 450.579 4.720 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CC(=O)NC(C)C)c1C ZINC001360874032 1066011768 /nfs/dbraw/zinc/01/17/68/1066011768.db2.gz JVQNOYJAIKBBEY-VSKRKVRLSA-N 0 0 453.631 4.576 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCO[C@H]2CCOC2)c1C ZINC001360874208 1066012185 /nfs/dbraw/zinc/01/21/85/1066012185.db2.gz KVICNIJUVKFQIB-PMOQBDJRSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)c1C ZINC001360874255 1066012622 /nfs/dbraw/zinc/01/26/22/1066012622.db2.gz LLHVAZMNBJQUEH-HXUWFJFHSA-N 0 0 499.656 4.707 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360874413 1066013465 /nfs/dbraw/zinc/01/34/65/1066013465.db2.gz MLVDROGEQOHPSL-NVQXNPDNSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360874410 1066013479 /nfs/dbraw/zinc/01/34/79/1066013479.db2.gz MLVDROGEQOHPSL-ATIYNZHBSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1C ZINC001360874426 1066013515 /nfs/dbraw/zinc/01/35/15/1066013515.db2.gz MUKFPFNDTAUIPM-OALUTQOASA-N 0 0 451.537 4.519 20 0 JJADRN CN(Cc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C ZINC001441190689 1066013578 /nfs/dbraw/zinc/01/35/78/1066013578.db2.gz WYDMBOOAWVHFSE-AABGKKOBSA-N 0 0 459.587 4.780 20 0 JJADRN COc1ccc(C(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c2ccc(OC)cc2)cc1 ZINC001441194431 1066014653 /nfs/dbraw/zinc/01/46/53/1066014653.db2.gz QGNMWQFNSFNYJF-LEWJYISDSA-N 0 0 468.594 4.993 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@H]2CCCCO2)c1C ZINC001360874749 1066014975 /nfs/dbraw/zinc/01/49/75/1066014975.db2.gz OJWQUZSRUIRDAL-DNQXCXABSA-N 0 0 497.684 4.689 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)cc1)C1CCOCC1 ZINC001441202125 1066015221 /nfs/dbraw/zinc/01/52/21/1066015221.db2.gz PZOCQAQTJHXFSQ-UHFFFAOYSA-N 0 0 453.539 4.537 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)c(O)c2)c1 ZINC001441214712 1066015666 /nfs/dbraw/zinc/01/56/66/1066015666.db2.gz GFNDPAPSYDEOIF-YADHBBJMSA-N 0 0 454.567 4.996 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1C ZINC001360874922 1066015850 /nfs/dbraw/zinc/01/58/50/1066015850.db2.gz PIIBUKXWUCVXSM-RXVVDRJESA-N 0 0 476.687 4.875 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCN(C)CC(F)(F)F)c1C ZINC001360874977 1066015882 /nfs/dbraw/zinc/01/58/82/1066015882.db2.gz VSGFKVGSELRPEP-NZSAHSFTSA-N 0 0 453.553 4.764 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2C[C@H]2C)c1C ZINC001360874917 1066016077 /nfs/dbraw/zinc/01/60/77/1066016077.db2.gz PIAXRVDWNBDJHD-NMIHRBCNSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360875096 1066016489 /nfs/dbraw/zinc/01/64/89/1066016489.db2.gz QCPKLULMLBDMSE-RBBKRZOGSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360875094 1066016548 /nfs/dbraw/zinc/01/65/48/1066016548.db2.gz QCPKLULMLBDMSE-IFMALSPDSA-N 0 0 456.631 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001545939445 1066016945 /nfs/dbraw/zinc/01/69/45/1066016945.db2.gz BQEIKZPVWJVOHU-OALUTQOASA-N 0 0 496.681 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC001441234051 1066017235 /nfs/dbraw/zinc/01/72/35/1066017235.db2.gz BRSMRDOVLRUWCI-UHFFFAOYSA-N 0 0 455.599 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1C ZINC001360875432 1066017927 /nfs/dbraw/zinc/01/79/27/1066017927.db2.gz ZSHMENHAIJJSTG-LPSSJVKGSA-N 0 0 497.684 4.578 20 0 JJADRN CCOc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1O ZINC001441239526 1066018579 /nfs/dbraw/zinc/01/85/79/1066018579.db2.gz LKQRMBJXPITFHL-INIZCTEOSA-N 0 0 457.741 4.994 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360875577 1066018690 /nfs/dbraw/zinc/01/86/90/1066018690.db2.gz VUCLCMNRDVKZFM-ICSRJNTNSA-N 0 0 467.614 4.984 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCC(=O)N(C)C)c1C ZINC001360875693 1066019001 /nfs/dbraw/zinc/01/90/01/1066019001.db2.gz XIROQNTXXROVTK-WXVAWEFUSA-N 0 0 465.642 4.840 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360876204 1066020550 /nfs/dbraw/zinc/02/05/50/1066020550.db2.gz KSUSUHYBMUNJHQ-XXBNENTESA-N 0 0 454.533 4.966 20 0 JJADRN COc1ccc(NC(=O)[C@](C)(O)CSc2cccc(F)c2)cc1NC(=O)OC(C)(C)C ZINC001441249758 1066020764 /nfs/dbraw/zinc/02/07/64/1066020764.db2.gz WZLQEWARQZZSMS-JOCHJYFZSA-N 0 0 450.532 4.663 20 0 JJADRN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441249623 1066020891 /nfs/dbraw/zinc/02/08/91/1066020891.db2.gz DOQKWPCQBKTAQJ-WMZHIEFXSA-N 0 0 453.583 4.672 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441251641 1066020908 /nfs/dbraw/zinc/02/09/08/1066020908.db2.gz QHPQXDBNOTWRFA-UHFFFAOYSA-N 0 0 455.530 4.610 20 0 JJADRN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441249619 1066020925 /nfs/dbraw/zinc/02/09/25/1066020925.db2.gz DOQKWPCQBKTAQJ-CVDCTZTESA-N 0 0 453.583 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3Cc3cccs3)n2CC(=O)NC(C)C)c1C ZINC001360876795 1066021102 /nfs/dbraw/zinc/02/11/02/1066021102.db2.gz BKMKHBQCWPBDLW-LEWJYISDSA-N 0 0 481.666 4.833 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCC(OCc4ccccc4)CC3)sc2C1 ZINC001441255241 1066021399 /nfs/dbraw/zinc/02/13/99/1066021399.db2.gz WPQCJPYRZQJUBK-UHFFFAOYSA-N 0 0 456.608 4.863 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC001441255885 1066021414 /nfs/dbraw/zinc/02/14/14/1066021414.db2.gz YKVUPLUIMMSUAU-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC2(C)CCC2)c1C ZINC001360876806 1066021448 /nfs/dbraw/zinc/02/14/48/1066021448.db2.gz BOQZHWHJJFMJOQ-YADHBBJMSA-N 0 0 467.658 4.918 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1 ZINC001441274346 1066021881 /nfs/dbraw/zinc/02/18/81/1066021881.db2.gz FFDQQIQEYULBEE-IBGZPJMESA-N 0 0 453.564 4.678 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OCc1cccnc1 ZINC001441284575 1066022720 /nfs/dbraw/zinc/02/27/20/1066022720.db2.gz XBJKGEGKHPQSOG-RTBURBONSA-N 0 0 455.555 4.691 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4cccs4)CC3)n2CC(F)(F)F)c1C ZINC001360877348 1066023054 /nfs/dbraw/zinc/02/30/54/1066023054.db2.gz KJEBSVICMMGRAC-QGZVFWFLSA-N 0 0 465.545 4.985 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1 ZINC001441294918 1066023137 /nfs/dbraw/zinc/02/31/37/1066023137.db2.gz MWYJLHDOGVPXKX-SFHVURJKSA-N 0 0 453.322 4.969 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC2(C)CC2)c1C ZINC001360877388 1066023151 /nfs/dbraw/zinc/02/31/51/1066023151.db2.gz KRNVWPQUQPZKDC-YADHBBJMSA-N 0 0 467.658 4.918 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1Cl ZINC001441293000 1066023199 /nfs/dbraw/zinc/02/31/99/1066023199.db2.gz GITCWQIUKGRGKJ-QFIPXVFZSA-N 0 0 458.002 4.580 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1 ZINC001441294912 1066023271 /nfs/dbraw/zinc/02/32/71/1066023271.db2.gz MWYJLHDOGVPXKX-GOSISDBHSA-N 0 0 453.322 4.969 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360877544 1066023395 /nfs/dbraw/zinc/02/33/95/1066023395.db2.gz MLEPBRNUJNTSRG-FQEVSTJZSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)c2nccs2)c1C ZINC001360877441 1066023494 /nfs/dbraw/zinc/02/34/94/1066023494.db2.gz LMJQZXZJCOPEAA-CTNGQTDRSA-N 0 0 496.681 4.600 20 0 JJADRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)no2)C1 ZINC001441302454 1066023773 /nfs/dbraw/zinc/02/37/73/1066023773.db2.gz AUYKDAPWSXHMHP-IRXDYDNUSA-N 0 0 450.564 4.586 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360878036 1066024561 /nfs/dbraw/zinc/02/45/61/1066024561.db2.gz QIYCBVVSCZTWPV-IQFVJIFQSA-N 0 0 497.684 4.543 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2CCO[C@H](C)C2)c1C ZINC001360878037 1066024790 /nfs/dbraw/zinc/02/47/90/1066024790.db2.gz QIYCBVVSCZTWPV-ONTLXTELSA-N 0 0 497.684 4.543 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360878287 1066025367 /nfs/dbraw/zinc/02/53/67/1066025367.db2.gz TZDMKBOPAYLVPS-CUNXSJBXSA-N 0 0 497.709 4.826 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)c1C ZINC001360878255 1066025578 /nfs/dbraw/zinc/02/55/78/1066025578.db2.gz SQAWLUPMONAIGB-FQEVSTJZSA-N 0 0 481.597 4.733 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CC[C@@H](C)C2)c1C ZINC001360878452 1066025843 /nfs/dbraw/zinc/02/58/43/1066025843.db2.gz VKPLQMDHAPCJIB-DUXKGJEZSA-N 0 0 461.601 4.858 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545940184 1066026912 /nfs/dbraw/zinc/02/69/12/1066026912.db2.gz TWIBIFBHAUSIIP-ROUUACIJSA-N 0 0 465.708 4.512 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCn1ccc2ccccc21 ZINC001545940252 1066028419 /nfs/dbraw/zinc/02/84/19/1066028419.db2.gz VKVSUBNUHHQGJK-RBUKOAKNSA-N 0 0 468.671 4.572 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 ZINC001360879063 1066028595 /nfs/dbraw/zinc/02/85/95/1066028595.db2.gz FMKGJMQGXVWKCT-OXQOHEQNSA-N 0 0 455.628 4.997 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSCC3)n2CCOc2ncccc2Cl)c1C ZINC001360879118 1066029120 /nfs/dbraw/zinc/02/91/20/1066029120.db2.gz GEHMJVIHIQRZPG-SFHVURJKSA-N 0 0 474.030 4.716 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)cc(C(C)C)nc21 ZINC001441330250 1066029247 /nfs/dbraw/zinc/02/92/47/1066029247.db2.gz ZNSHMXUBPATMGC-UHFFFAOYSA-N 0 0 458.946 4.723 20 0 JJADRN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001441331847 1066029392 /nfs/dbraw/zinc/02/93/92/1066029392.db2.gz GOJLOQYBQSIDDQ-UHFFFAOYSA-N 0 0 454.246 4.523 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@]2(O)CCCC2(C)C)c1C ZINC001360879179 1066029479 /nfs/dbraw/zinc/02/94/79/1066029479.db2.gz HPFFGCGSNSMTEP-LJFZDNNRSA-N 0 0 496.574 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCCOC(F)F)c1C ZINC001360879202 1066029577 /nfs/dbraw/zinc/02/95/77/1066029577.db2.gz HWPXFWZPIWPKRE-WIYYLYMNSA-N 0 0 476.524 4.835 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCCN2CCCCC2=O)c1C ZINC001360879165 1066029590 /nfs/dbraw/zinc/02/95/90/1066029590.db2.gz HJWXTJCMZAWCFF-BDTNDASRSA-N 0 0 485.698 4.768 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360879257 1066029901 /nfs/dbraw/zinc/02/99/01/1066029901.db2.gz IUOOEOOJAZEXBK-AZUAARDMSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CCOC(C)C)c1C ZINC001360879474 1066030753 /nfs/dbraw/zinc/03/07/53/1066030753.db2.gz LMYWMYASRWIBMA-UNMCSNQZSA-N 0 0 498.628 4.544 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2CCCN(C)CC(F)(F)F)c1C ZINC001360879710 1066031090 /nfs/dbraw/zinc/03/10/90/1066031090.db2.gz OXHDTVBONGURDP-IEBWSBKVSA-N 0 0 485.620 4.861 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(CCC4)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360879567 1066031174 /nfs/dbraw/zinc/03/11/74/1066031174.db2.gz MQCJJLJRGGQKEO-NRFANRHFSA-N 0 0 499.656 4.709 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCCN(C)CC(F)(F)F)c1C ZINC001360879712 1066031197 /nfs/dbraw/zinc/03/11/97/1066031197.db2.gz OXHDTVBONGURDP-PKOBYXMFSA-N 0 0 485.620 4.861 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCc2nccs2)c1C ZINC001360879719 1066031697 /nfs/dbraw/zinc/03/16/97/1066031697.db2.gz PAIJGCVKQFAUPY-AEFFLSMTSA-N 0 0 481.544 4.502 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2nccs2)c1C ZINC001360879721 1066031709 /nfs/dbraw/zinc/03/17/09/1066031709.db2.gz PAIJGCVKQFAUPY-SJLPKXTDSA-N 0 0 481.544 4.502 20 0 JJADRN Cc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2N)cc1NS(=O)(=O)c1ccccc1 ZINC001441345953 1066031661 /nfs/dbraw/zinc/03/16/61/1066031661.db2.gz FNTJJEYVIUDNJQ-UHFFFAOYSA-N 0 0 458.543 4.692 20 0 JJADRN CN(Cc1csc2ccccc12)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441351866 1066032047 /nfs/dbraw/zinc/03/20/47/1066032047.db2.gz QCDBZRIITKVODL-LJQANCHMSA-N 0 0 454.596 4.942 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1C ZINC001360880119 1066032340 /nfs/dbraw/zinc/03/23/40/1066032340.db2.gz WHCGAMQWBXKAFA-SIKLNZKXSA-N 0 0 487.048 4.836 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1C ZINC001360880147 1066032441 /nfs/dbraw/zinc/03/24/41/1066032441.db2.gz WZCQLRIZUKGSQZ-VSKRKVRLSA-N 0 0 497.640 4.831 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCc2nccs2)c1C ZINC001360880089 1066032455 /nfs/dbraw/zinc/03/24/55/1066032455.db2.gz VXFQSOAVWPEHJA-CTNGQTDRSA-N 0 0 455.628 4.595 20 0 JJADRN Cc1ccc(NC(=O)c2ncccc2NCC2CCC2)cc1NS(=O)(=O)c1ccccc1 ZINC001441354591 1066032686 /nfs/dbraw/zinc/03/26/86/1066032686.db2.gz QZCJHLPXBLATGF-UHFFFAOYSA-N 0 0 450.564 4.655 20 0 JJADRN Cc1cc(OCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc(C)c1Cl ZINC001441356332 1066033059 /nfs/dbraw/zinc/03/30/59/1066033059.db2.gz IIXWCRBCPRMQKE-UHFFFAOYSA-N 0 0 455.769 4.627 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCN2CCCCCC2=O)c1C ZINC001360880715 1066033569 /nfs/dbraw/zinc/03/35/69/1066033569.db2.gz BEMJORLKKOYEGM-HJNYFJLDSA-N 0 0 471.621 4.622 20 0 JJADRN Cc1c(Br)cccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441358382 1066033601 /nfs/dbraw/zinc/03/36/01/1066033601.db2.gz MWIHPKAPNMNSHV-UHFFFAOYSA-N 0 0 456.167 4.663 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)c1Cl ZINC001360881041 1066033750 /nfs/dbraw/zinc/03/37/50/1066033750.db2.gz MTGOULPRUITDGL-AWEZNQCLSA-N 0 0 450.771 4.558 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC001441359852 1066034267 /nfs/dbraw/zinc/03/42/67/1066034267.db2.gz TVTSWPNZEGFJJX-LJQANCHMSA-N 0 0 459.612 4.753 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3ccn(C)n3)n2CCSCC(F)(F)F)c1C ZINC001360881272 1066034511 /nfs/dbraw/zinc/03/45/11/1066034511.db2.gz KGKIPENSMIRASI-OAHLLOKOSA-N 0 0 454.522 4.808 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1=O ZINC001441360630 1066034553 /nfs/dbraw/zinc/03/45/53/1066034553.db2.gz VSOWYBZKKVKGIA-UHFFFAOYSA-N 0 0 458.562 4.724 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(C)C)nnc3N3CCC[C@H](NC(=O)C(C)(C)C)C3)cc2c1C ZINC001360881449 1066034674 /nfs/dbraw/zinc/03/46/74/1066034674.db2.gz MRKKMJSPTBMLKS-FQEVSTJZSA-N 0 0 450.631 4.679 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(N4CCN(CC(F)(F)C(F)F)CC4)nnc3C(C)(C)C)cc2c1C ZINC001360881965 1066035350 /nfs/dbraw/zinc/03/53/50/1066035350.db2.gz TVJTZXWBRQHIKN-UHFFFAOYSA-N 0 0 480.554 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360882070 1066035372 /nfs/dbraw/zinc/03/53/72/1066035372.db2.gz WYZWJXDNRJQUIG-QFUCXCTJSA-N 0 0 487.620 4.696 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001360882213 1066035753 /nfs/dbraw/zinc/03/57/53/1066035753.db2.gz AWBRUVUKPSQSCX-INIZCTEOSA-N 0 0 450.988 4.699 20 0 JJADRN C[C@H](Cn1ccnc1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441377807 1066036334 /nfs/dbraw/zinc/03/63/34/1066036334.db2.gz XMWJHXWVOJHWAW-MRXNPFEDSA-N 0 0 451.368 4.931 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCOCC2CCOCC2)CC1 ZINC001360882989 1066036611 /nfs/dbraw/zinc/03/66/11/1066036611.db2.gz HJDLBRSKRUAKAL-NRFANRHFSA-N 0 0 472.605 4.937 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCO[C@H]2CCOC2)c1C ZINC001360883106 1066036656 /nfs/dbraw/zinc/03/66/56/1066036656.db2.gz JVQKLMKKMIVPEE-GOTSBHOMSA-N 0 0 454.615 4.777 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cc2F)CC1 ZINC001360883055 1066036719 /nfs/dbraw/zinc/03/67/19/1066036719.db2.gz IVBIOLNQWSDGCV-UHFFFAOYSA-N 0 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O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001441392727 1066037319 /nfs/dbraw/zinc/03/73/19/1066037319.db2.gz DGGVKBVXVVLWNP-UYRXBGFRSA-N 0 0 456.399 4.512 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](C)N1CCOCC1 ZINC001360883651 1066037644 /nfs/dbraw/zinc/03/76/44/1066037644.db2.gz WCKPIVINWDKIEU-VXKWHMMOSA-N 0 0 488.076 4.956 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360883759 1066037992 /nfs/dbraw/zinc/03/79/92/1066037992.db2.gz XYKXFRQHJJHHGO-KDYSTLNUSA-N 0 0 468.642 4.718 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCc2ccnc(OCc3ccccc3)c2)CCC1 ZINC001441403646 1066037903 /nfs/dbraw/zinc/03/79/03/1066037903.db2.gz ZIFDWKPESOXOBZ-UHFFFAOYSA-N 0 0 451.567 4.599 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cn(C)nc2-c2ccoc2)cc1 ZINC001360884175 1066038288 /nfs/dbraw/zinc/03/82/88/1066038288.db2.gz NSHGPGUZRUCEAD-UHFFFAOYSA-N 0 0 451.504 4.518 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001441406077 1066038384 /nfs/dbraw/zinc/03/83/84/1066038384.db2.gz KECVDHNBIYYVDD-UHFFFAOYSA-N 0 0 450.539 4.808 20 0 JJADRN CSC1(CNC(=O)c2ccccc2OCc2ccc(Br)cc2)CCOCC1 ZINC001360884073 1066038338 /nfs/dbraw/zinc/03/83/38/1066038338.db2.gz LDRYNHWQCSABDQ-UHFFFAOYSA-N 0 0 450.398 4.670 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC001360884562 1066038665 /nfs/dbraw/zinc/03/86/65/1066038665.db2.gz XNOGPUWVOOKUQZ-UHFFFAOYSA-N 0 0 450.438 4.939 20 0 JJADRN COc1ccc(NC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1N1CCCCC1=O ZINC001441410772 1066038648 /nfs/dbraw/zinc/03/86/48/1066038648.db2.gz AQNOFAHSMZEVRT-SANMLTNESA-N 0 0 452.551 4.565 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001360884655 1066038706 /nfs/dbraw/zinc/03/87/06/1066038706.db2.gz AXYGXSYUFOTGJS-UHFFFAOYSA-N 0 0 459.541 4.542 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCCCS(C)(=O)=O)CC1 ZINC001360884747 1066038751 /nfs/dbraw/zinc/03/87/51/1066038751.db2.gz FESLQKHOFARUQT-QGZVFWFLSA-N 0 0 476.712 4.893 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001441413563 1066039155 /nfs/dbraw/zinc/03/91/55/1066039155.db2.gz DHVQDUDKAHMNGO-CCEZHUSRSA-N 0 0 458.533 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC001441413815 1066039180 /nfs/dbraw/zinc/03/91/80/1066039180.db2.gz DKPGDAPBENFIJM-YIXXDRMTSA-N 0 0 450.579 4.667 20 0 JJADRN Cc1ccc(NC(=O)c2cscc2Br)cc1S(=O)(=O)Nc1ccccc1 ZINC001441413572 1066039226 /nfs/dbraw/zinc/03/92/26/1066039226.db2.gz GZPCSIIPKNUELR-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC001441417022 1066039256 /nfs/dbraw/zinc/03/92/56/1066039256.db2.gz GWZLFUOBFDUPHB-UHFFFAOYSA-N 0 0 451.368 4.933 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360885082 1066039983 /nfs/dbraw/zinc/03/99/83/1066039983.db2.gz 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ZINC001360887969 1066041484 /nfs/dbraw/zinc/04/14/84/1066041484.db2.gz LMOIJMZLAUQKSV-OAQYLSRUSA-N 0 0 467.614 4.918 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)C1 ZINC001360890415 1066042646 /nfs/dbraw/zinc/04/26/46/1066042646.db2.gz JCJMWQAANCNOAE-VAMGGRTRSA-N 0 0 454.636 4.833 20 0 JJADRN C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1F ZINC001360890545 1066042790 /nfs/dbraw/zinc/04/27/90/1066042790.db2.gz LUEQSUFSAYMBLQ-AWEZNQCLSA-N 0 0 454.439 4.756 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001360891849 1066043125 /nfs/dbraw/zinc/04/31/25/1066043125.db2.gz DUNJKTCTUIIUEQ-UHFFFAOYSA-N 0 0 471.577 4.976 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)N2CCOCC2)c1 ZINC001360891745 1066043146 /nfs/dbraw/zinc/04/31/46/1066043146.db2.gz DSXWNXIQKYJHMD-UHFFFAOYSA-N 0 0 481.685 4.946 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001360892097 1066043465 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AUXJJBOPLXVGBJ-GASCZTMLSA-N 0 0 488.580 4.559 20 0 JJADRN Cn1ccnc1COc1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1 ZINC001441654134 1066058241 /nfs/dbraw/zinc/05/82/41/1066058241.db2.gz VATYCENIEYFTMJ-UHFFFAOYSA-N 0 0 457.412 4.540 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)sc1C ZINC001360904666 1066058309 /nfs/dbraw/zinc/05/83/09/1066058309.db2.gz MHJKUDSIQSROHB-AZYRPFHASA-N 0 0 459.685 4.923 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441662623 1066058510 /nfs/dbraw/zinc/05/85/10/1066058510.db2.gz MAPYNNNHXWWKCG-BRGVFWSASA-N 0 0 454.979 4.526 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001441662248 1066058573 /nfs/dbraw/zinc/05/85/73/1066058573.db2.gz DQRVSVVKPMWGCB-UHFFFAOYSA-N 0 0 451.933 4.819 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@@H](C)O1 ZINC001441659519 1066058727 /nfs/dbraw/zinc/05/87/27/1066058727.db2.gz PZIIZUGIOJJRIO-CHWSQXEVSA-N 0 0 450.402 4.645 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)sc1C ZINC001360904862 1066058688 /nfs/dbraw/zinc/05/86/88/1066058688.db2.gz PEOXEBOQHDIDAP-UHFFFAOYSA-N 0 0 472.703 4.607 20 0 JJADRN Cc1nc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccn2)sc1C ZINC001360904867 1066058803 /nfs/dbraw/zinc/05/88/03/1066058803.db2.gz PHRZAAMIQKZWIX-IBGZPJMESA-N 0 0 497.669 4.546 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)C)n3CCCO[C@@H](C)c3ccccc3)CC2)sc1C ZINC001360904894 1066058843 /nfs/dbraw/zinc/05/88/43/1066058843.db2.gz HNYIBSNYKZBGBW-FQEVSTJZSA-N 0 0 468.671 4.969 20 0 JJADRN Cc1nc(Cn2c(N3CCCN(C(=O)c4cccc(Cl)c4)CC3)nnc2C(C)(C)C)sc1C ZINC001360904913 1066058892 /nfs/dbraw/zinc/05/88/92/1066058892.db2.gz HVAIIGNGWQUJGY-UHFFFAOYSA-N 0 0 487.073 4.703 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)CC2)sc1C ZINC001360905211 1066059087 /nfs/dbraw/zinc/05/90/87/1066059087.db2.gz MODZWBSMYFLNHA-UHFFFAOYSA-N 0 0 494.587 4.791 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3CCOc3ccc(Cl)cc3)CC2)sc1C ZINC001360905024 1066059110 /nfs/dbraw/zinc/05/91/10/1066059110.db2.gz KOYXVAVCKFIBHT-UHFFFAOYSA-N 0 0 475.062 4.708 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)sc1C ZINC001360905417 1066059598 /nfs/dbraw/zinc/05/95/98/1066059598.db2.gz OHRNMBKQUODMSL-INIZCTEOSA-N 0 0 455.628 4.501 20 0 JJADRN Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2)sc1C ZINC001360905281 1066059611 /nfs/dbraw/zinc/05/96/11/1066059611.db2.gz NHIWYDQGASDWBO-INIZCTEOSA-N 0 0 466.636 4.589 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1OCCC(C)C ZINC001441671203 1066059780 /nfs/dbraw/zinc/05/97/80/1066059780.db2.gz JLDSXLKEITYJBW-PZJWPPBQSA-N 0 0 459.631 4.662 20 0 JJADRN Cc1nc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2C)sc1C ZINC001360905645 1066059856 /nfs/dbraw/zinc/05/98/56/1066059856.db2.gz XHCRRODNJDYFKE-KDURUIRLSA-N 0 0 486.642 4.708 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)sc1C ZINC001360905638 1066059951 /nfs/dbraw/zinc/05/99/51/1066059951.db2.gz XBLJYAGITIKSAP-UHFFFAOYSA-N 0 0 470.451 4.839 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC001441678460 1066060321 /nfs/dbraw/zinc/06/03/21/1066060321.db2.gz HJBVJDDNKVPTCI-HSZRJFAPSA-N 0 0 456.652 4.860 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)cn2)n1 ZINC001441676330 1066060363 /nfs/dbraw/zinc/06/03/63/1066060363.db2.gz QPTKNECAPVJUIQ-UHFFFAOYSA-N 0 0 454.456 4.531 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001441680549 1066060760 /nfs/dbraw/zinc/06/07/60/1066060760.db2.gz JBEDNWDQILUOEI-RLWLMLJZSA-N 0 0 452.599 4.505 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCOc1ccccc1C(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001441681101 1066060812 /nfs/dbraw/zinc/06/08/12/1066060812.db2.gz BIQDKLWNPWOGAN-IBGZPJMESA-N 0 0 453.457 4.898 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](CC(=O)N(C)C)c4cc(Cl)ccc43)o2)cc1 ZINC001360906686 1066060830 /nfs/dbraw/zinc/06/08/30/1066060830.db2.gz JEPXNRHSNHFMIF-GOSISDBHSA-N 0 0 451.954 4.845 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c2ccc(Cl)cc21 ZINC001360906788 1066060927 /nfs/dbraw/zinc/06/09/27/1066060927.db2.gz MLGOXPSAJAXULE-AWEZNQCLSA-N 0 0 450.888 4.999 20 0 JJADRN Cc1c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cnn1-c1cccc(Cl)c1 ZINC001360906772 1066061027 /nfs/dbraw/zinc/06/10/27/1066061027.db2.gz LOLDZVBKAABTIO-HNNXBMFYSA-N 0 0 457.361 4.710 20 0 JJADRN CCc1nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(OCc4ccncc4)c(OC)c3)cc2)n[nH]1 ZINC001441686910 1066061169 /nfs/dbraw/zinc/06/11/69/1066061169.db2.gz KAMLUAMMZVAJKN-KRWDZBQOSA-N 0 0 457.534 4.508 20 0 JJADRN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC001441687413 1066061325 /nfs/dbraw/zinc/06/13/25/1066061325.db2.gz AGAZDVTWQYUWKE-UHFFFAOYSA-N 0 0 452.942 4.539 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1C ZINC001360907355 1066061670 /nfs/dbraw/zinc/06/16/70/1066061670.db2.gz DAABLBPOMIORRW-FXAWDEMLSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(Br)cc4)n3CC(C)C)CC2)sc1C ZINC001360907306 1066061791 /nfs/dbraw/zinc/06/17/91/1066061791.db2.gz BGRHLSJDQUOHRN-UHFFFAOYSA-N 0 0 475.460 4.764 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1CCc1cc(F)cc(F)c1 ZINC001360907495 1066061958 /nfs/dbraw/zinc/06/19/58/1066061958.db2.gz HSDBRYXLWMOTAF-UHFFFAOYSA-N 0 0 490.624 4.550 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)cc2CN1C(=O)OC(C)(C)C ZINC001441693624 1066062094 /nfs/dbraw/zinc/06/20/94/1066062094.db2.gz UORMSTPFWOIDLO-CYBMUJFWSA-N 0 0 453.370 4.601 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)CC2)sc1C ZINC001360907446 1066062057 /nfs/dbraw/zinc/06/20/57/1066062057.db2.gz GWDVNHUXQGSZNS-UHFFFAOYSA-N 0 0 482.698 4.542 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)cn1 ZINC001441693426 1066062172 /nfs/dbraw/zinc/06/21/72/1066062172.db2.gz MBOAOXRAPKFUOM-QGZVFWFLSA-N 0 0 455.555 4.677 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc(Br)ccc2N)ccc1OCc1ccncc1 ZINC001441694054 1066062198 /nfs/dbraw/zinc/06/21/98/1066062198.db2.gz YGLTYPCITMLQFQ-AWEZNQCLSA-N 0 0 456.340 4.505 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCC(C)C)CC2)sc1C ZINC001360907648 1066062323 /nfs/dbraw/zinc/06/23/23/1066062323.db2.gz MYCAIVZOTHICFN-UHFFFAOYSA-N 0 0 460.051 4.830 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC(C)(C)O)CC2)sc1C ZINC001360907887 1066062416 /nfs/dbraw/zinc/06/24/16/1066062416.db2.gz UEPTYTSYYWKIOH-UHFFFAOYSA-N 0 0 482.698 4.804 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@@H](C)c1ccccc1 ZINC001360907852 1066062428 /nfs/dbraw/zinc/06/24/28/1066062428.db2.gz SPEDHLZGPCWMTQ-GOSISDBHSA-N 0 0 468.671 4.833 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C2CCC2)n1CCN(C)CC(F)(F)F ZINC001360907858 1066062439 /nfs/dbraw/zinc/06/24/39/1066062439.db2.gz SQPXEWGNUXSIQY-UHFFFAOYSA-N 0 0 464.561 4.860 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1CCCc1cccc(F)c1 ZINC001360907880 1066062463 /nfs/dbraw/zinc/06/24/63/1066062463.db2.gz TUMFUFPRRXUSJR-UHFFFAOYSA-N 0 0 486.661 4.801 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)n[nH]3)CC2=O)c1C ZINC001441699202 1066062479 /nfs/dbraw/zinc/06/24/79/1066062479.db2.gz YJLJJZJWYJPWQR-QHCPKHFHSA-N 0 0 458.606 4.918 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cc4c(s3)CCCC4)ccc2C)cc1 ZINC001441699396 1066062511 /nfs/dbraw/zinc/06/25/11/1066062511.db2.gz ZUSGGORDGNWQLM-UHFFFAOYSA-N 0 0 454.617 4.975 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)F ZINC001441695644 1066062591 /nfs/dbraw/zinc/06/25/91/1066062591.db2.gz WZHMQFOOUCHESY-CRAIPNDOSA-N 0 0 471.508 4.800 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(O)cc1)Nc1ccccc1F ZINC001441702289 1066062851 /nfs/dbraw/zinc/06/28/51/1066062851.db2.gz LNOWQYOMCJRDOY-UHFFFAOYSA-N 0 0 458.942 4.944 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCC2)n1CCCNC(=O)C(C)C ZINC001360908108 1066063269 /nfs/dbraw/zinc/06/32/69/1066063269.db2.gz BLWOZFIGEIPKPJ-UHFFFAOYSA-N 0 0 466.655 4.776 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1C[C@@H](C)N(C)c1ccccc1 ZINC001360908390 1066063519 /nfs/dbraw/zinc/06/35/19/1066063519.db2.gz JEGAUIZWCHHMPA-HXUWFJFHSA-N 0 0 497.713 4.554 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360908305 1066063739 /nfs/dbraw/zinc/06/37/39/1066063739.db2.gz HRCAGDNRWXZNKY-PZJWPPBQSA-N 0 0 490.718 4.624 20 0 JJADRN O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1nc(Cc2ccc(Br)cc2)cs1 ZINC001441723828 1066064189 /nfs/dbraw/zinc/06/41/89/1066064189.db2.gz KYHPTVJJKZKDMK-NSHDSACASA-N 0 0 458.592 4.556 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC001441724031 1066064293 /nfs/dbraw/zinc/06/42/93/1066064293.db2.gz NAKJODQUEWLHGZ-HOTGVXAUSA-N 0 0 456.974 4.527 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC1([S@](C)=O)CCC1 ZINC001360908723 1066064383 /nfs/dbraw/zinc/06/43/83/1066064383.db2.gz PSMDFCJKCORZLW-HKBQPEDESA-N 0 0 457.669 4.770 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCCCCO)n1C[C@H]1CSCCS1 ZINC001360909045 1066065274 /nfs/dbraw/zinc/06/52/74/1066065274.db2.gz WCRGGOSCBPCGMQ-IBGZPJMESA-N 0 0 489.736 4.824 20 0 JJADRN Cc1nc2cc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)ccc2n1C ZINC001360909282 1066065634 /nfs/dbraw/zinc/06/56/34/1066065634.db2.gz NHHAWFVSBCXNMJ-KRWDZBQOSA-N 0 0 457.962 4.833 20 0 JJADRN CCOC(=O)N[C@H](C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1)C(C)C ZINC001441740700 1066065993 /nfs/dbraw/zinc/06/59/93/1066065993.db2.gz VTDJIZGYQKWYSU-INIZCTEOSA-N 0 0 454.390 4.514 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCSCC(C)C ZINC001360910559 1066066563 /nfs/dbraw/zinc/06/65/63/1066066563.db2.gz JSBABVFDYMRWIN-HXUWFJFHSA-N 0 0 492.759 4.808 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCSCC(C)C ZINC001360910475 1066066643 /nfs/dbraw/zinc/06/66/43/1066066643.db2.gz HLSIKFMGUZGWIT-SFHVURJKSA-N 0 0 492.759 4.808 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCSCCCO ZINC001360910615 1066067022 /nfs/dbraw/zinc/06/70/22/1066067022.db2.gz LDQLCNDUNDJHFZ-CALCHBBNSA-N 0 0 489.736 4.823 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCCC(F)(F)F ZINC001360910735 1066067424 /nfs/dbraw/zinc/06/74/24/1066067424.db2.gz OALJMNZHQRWFSB-CABCVRRESA-N 0 0 472.581 4.514 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910964 1066067688 /nfs/dbraw/zinc/06/76/88/1066067688.db2.gz UIRRWLPNQWVOSG-CALCHBBNSA-N 0 0 484.695 4.622 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCCCCO ZINC001360911049 1066067788 /nfs/dbraw/zinc/06/77/88/1066067788.db2.gz VELAZXAKIPUTOA-YJBOKZPZSA-N 0 0 495.571 4.696 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910966 1066067838 /nfs/dbraw/zinc/06/78/38/1066067838.db2.gz UIRRWLPNQWVOSG-IRXDYDNUSA-N 0 0 484.695 4.622 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCCCO ZINC001360911047 1066067896 /nfs/dbraw/zinc/06/78/96/1066067896.db2.gz VELAZXAKIPUTOA-MAUKXSAKSA-N 0 0 495.571 4.696 20 0 JJADRN CC(C)COc1cccc(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)c1 ZINC001441763395 1066068135 /nfs/dbraw/zinc/06/81/35/1066068135.db2.gz ZKMAORWTNXJLJN-IBGZPJMESA-N 0 0 457.575 4.527 20 0 JJADRN O=C(Nc1nc(CN2CCOCC2)cs1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001441754878 1066068325 /nfs/dbraw/zinc/06/83/25/1066068325.db2.gz YUPZSYMMASZKDG-UHFFFAOYSA-N 0 0 453.530 4.835 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360911175 1066068287 /nfs/dbraw/zinc/06/82/87/1066068287.db2.gz FAMQZZULABLBGK-XMSQKQJNSA-N 0 0 473.021 4.597 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360911666 1066068606 /nfs/dbraw/zinc/06/86/06/1066068606.db2.gz SQBFWLFKHKRKKV-QGZVFWFLSA-N 0 0 466.483 4.692 20 0 JJADRN C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001441769617 1066068684 /nfs/dbraw/zinc/06/86/84/1066068684.db2.gz ZQAQERJYNBVRNE-ZDUSSCGKSA-N 0 0 450.438 4.851 20 0 JJADRN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441770886 1066068709 /nfs/dbraw/zinc/06/87/09/1066068709.db2.gz IZCJZNJZLAFDPK-PKOBYXMFSA-N 0 0 458.400 4.680 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360911747 1066068666 /nfs/dbraw/zinc/06/86/66/1066068666.db2.gz VSWUSGGYZKRWAR-AVRDEDQJSA-N 0 0 473.021 4.741 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001360911602 1066068697 /nfs/dbraw/zinc/06/86/97/1066068697.db2.gz QYRVMKANXYEITP-HZPDHXFCSA-N 0 0 457.420 4.997 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360911827 1066068918 /nfs/dbraw/zinc/06/89/18/1066068918.db2.gz YBJZXSCLKLGCOR-CVEARBPZSA-N 0 0 457.420 4.854 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001360911816 1066069002 /nfs/dbraw/zinc/06/90/02/1066069002.db2.gz XWFPMJONELZERK-HXUWFJFHSA-N 0 0 457.420 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1Cc2ccccc21)c1ccc(Br)cc1 ZINC001441794014 1066069924 /nfs/dbraw/zinc/06/99/24/1066069924.db2.gz DLTZWTBVBQWRFF-HJPURHCSSA-N 0 0 459.384 4.645 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001360913711 1066070136 /nfs/dbraw/zinc/07/01/36/1066070136.db2.gz GYLCHJRXOUZZPJ-UWDQQESISA-N 0 0 454.636 4.699 20 0 JJADRN O=C(NC[C@H]1Cc2ccccc21)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001441797450 1066070307 /nfs/dbraw/zinc/07/03/07/1066070307.db2.gz JKVLBTZXTFCOON-GFCCVEGCSA-N 0 0 456.802 4.645 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)sc1Cc1ccccc1Cl ZINC001441799216 1066070362 /nfs/dbraw/zinc/07/03/62/1066070362.db2.gz MABUCZCOTBNNLJ-HNNXBMFYSA-N 0 0 454.017 4.944 20 0 JJADRN Cc1nc(NC(=O)/C(=C\c2ccccc2)n2nnnc2C)sc1Cc1ccccc1Cl ZINC001441801425 1066070413 /nfs/dbraw/zinc/07/04/13/1066070413.db2.gz OZGORCAAQLEHKF-XDHOZWIPSA-N 0 0 450.955 4.627 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(SC)cc1OC ZINC001360914382 1066070630 /nfs/dbraw/zinc/07/06/30/1066070630.db2.gz WEYMLYBSXMQWIQ-UHFFFAOYSA-N 0 0 450.560 4.950 20 0 JJADRN C[C@@H](NC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441809309 1066071027 /nfs/dbraw/zinc/07/10/27/1066071027.db2.gz BJSDJKJHADWIPW-MIRXNBLZSA-N 0 0 470.541 4.679 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360915000 1066071154 /nfs/dbraw/zinc/07/11/54/1066071154.db2.gz UGFZWLCJRPEQPP-GHTZIAJQSA-N 0 0 487.693 4.661 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccc(O)c(OC)c2)ccc1Cl ZINC001441809395 1066071213 /nfs/dbraw/zinc/07/12/13/1066071213.db2.gz GUVFYSQFFJKKAH-UHFFFAOYSA-N 0 0 452.938 4.898 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1C ZINC001360915436 1066071463 /nfs/dbraw/zinc/07/14/63/1066071463.db2.gz GTFWLAZWTUPSNM-CYBMUJFWSA-N 0 0 453.324 4.830 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000027985847 1066071895 /nfs/dbraw/zinc/07/18/95/1066071895.db2.gz VYLNQKCFKAJZHS-UHFFFAOYSA-N 0 0 481.559 4.553 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccco1 ZINC001360916610 1066072213 /nfs/dbraw/zinc/07/22/13/1066072213.db2.gz UAMCLTFGIDYDDX-UHFFFAOYSA-N 0 0 485.386 4.513 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C ZINC001360916325 1066072298 /nfs/dbraw/zinc/07/22/98/1066072298.db2.gz IREMZHUBWFUZHU-SFTDATJTSA-N 0 0 471.650 4.639 20 0 JJADRN Cc1n[nH]cc1CCCn1c(N2CCO[C@@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C ZINC001360916563 1066072324 /nfs/dbraw/zinc/07/23/24/1066072324.db2.gz RFQPAPIMGMUJOS-HXUWFJFHSA-N 0 0 487.446 4.580 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441815457 1066072657 /nfs/dbraw/zinc/07/26/57/1066072657.db2.gz NGFPNIUAMNNZDX-INIZCTEOSA-N 0 0 454.523 4.550 20 0 JJADRN Cc1cc2cc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cn4)CC3)oc2cc1C ZINC001441816143 1066072901 /nfs/dbraw/zinc/07/29/01/1066072901.db2.gz UBOPVDIOGDJDBF-UHFFFAOYSA-N 0 0 456.340 4.698 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001441816193 1066073048 /nfs/dbraw/zinc/07/30/48/1066073048.db2.gz IPJHDNRPVJHBHV-HXUWFJFHSA-N 0 0 455.352 4.579 20 0 JJADRN CC(C)(C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC001360917886 1066072964 /nfs/dbraw/zinc/07/29/64/1066072964.db2.gz YQMKVBVANKREQZ-UHFFFAOYSA-N 0 0 458.967 4.525 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001441820846 1066073349 /nfs/dbraw/zinc/07/33/49/1066073349.db2.gz PZTQQBDZCUYKCV-LAZDNIIUSA-N 0 0 455.599 4.843 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCC1 ZINC001360918168 1066073817 /nfs/dbraw/zinc/07/38/17/1066073817.db2.gz LBSDYGWZCDYITF-UHFFFAOYSA-N 0 0 458.031 4.855 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C)n1C1CCCCC1 ZINC001441820986 1066073897 /nfs/dbraw/zinc/07/38/97/1066073897.db2.gz QPBKPOWXPXLOTB-UHFFFAOYSA-N 0 0 458.002 4.627 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360918421 1066074202 /nfs/dbraw/zinc/07/42/02/1066074202.db2.gz RODAZFKMIZVCJH-QGZVFWFLSA-N 0 0 488.057 4.776 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CCn1cccn1 ZINC001360918563 1066074706 /nfs/dbraw/zinc/07/47/06/1066074706.db2.gz WEHBKCTZTBLBMN-NRFANRHFSA-N 0 0 464.639 4.980 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001360918607 1066074737 /nfs/dbraw/zinc/07/47/37/1066074737.db2.gz XCVZLQOCYDTICB-GOSISDBHSA-N 0 0 473.618 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC001441850344 1066074845 /nfs/dbraw/zinc/07/48/45/1066074845.db2.gz ADXCNZMERBJNHX-IBGZPJMESA-N 0 0 457.958 4.714 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001545944720 1066074877 /nfs/dbraw/zinc/07/48/77/1066074877.db2.gz SCEGQVWHCBBYMJ-IXDOHACOSA-N 0 0 481.563 4.531 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)cc1Cl ZINC001441829894 1066074990 /nfs/dbraw/zinc/07/49/90/1066074990.db2.gz ZIQWGBZDRSYXMF-GJZGRUSLSA-N 0 0 454.958 4.750 20 0 JJADRN COc1ccc(NC(=O)c2ncoc2C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1F ZINC001441854513 1066075303 /nfs/dbraw/zinc/07/53/03/1066075303.db2.gz NAAGGDPDOJXNKH-UHFFFAOYSA-N 0 0 457.767 4.999 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001360919968 1066075511 /nfs/dbraw/zinc/07/55/11/1066075511.db2.gz IACCQSZDWJVTSK-BGYRXZFFSA-N 0 0 496.725 4.796 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]3c3ccccc3Cl)cs2)c1 ZINC001441870911 1066075851 /nfs/dbraw/zinc/07/58/51/1066075851.db2.gz UFFBWNVNDLDCLZ-IBGZPJMESA-N 0 0 455.967 4.969 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360920117 1066075981 /nfs/dbraw/zinc/07/59/81/1066075981.db2.gz OIMXLCFLNULUBK-UHFFFAOYSA-N 0 0 493.818 4.993 20 0 JJADRN CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001441877497 1066076349 /nfs/dbraw/zinc/07/63/49/1066076349.db2.gz QQMANQVGKWCRLT-JOCHJYFZSA-N 0 0 458.986 4.929 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001441875571 1066076455 /nfs/dbraw/zinc/07/64/55/1066076455.db2.gz MDNCARWAGGKHEK-HSZRJFAPSA-N 0 0 454.567 4.593 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360920233 1066076366 /nfs/dbraw/zinc/07/63/66/1066076366.db2.gz SQOBIANCBPHJBF-FQEVSTJZSA-N 0 0 499.706 4.601 20 0 JJADRN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1Cc1cccc(Cl)c1C ZINC001545944925 1066076891 /nfs/dbraw/zinc/07/68/91/1066076891.db2.gz ZNBXKPXJQXWGPQ-SFHVURJKSA-N 0 0 477.947 4.727 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)OCc2cc(Cl)ccc2OC(F)F)s1 ZINC001360920538 1066076882 /nfs/dbraw/zinc/07/68/82/1066076882.db2.gz HVYDVHZDQGORAD-OAHLLOKOSA-N 0 0 453.898 4.967 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360920574 1066077188 /nfs/dbraw/zinc/07/71/88/1066077188.db2.gz XUQZAPNZZICTKP-QGZVFWFLSA-N 0 0 456.921 4.979 20 0 JJADRN Cc1ccc(CCOC(=O)Cc2cc(Br)cc(I)c2)cc1 ZINC001360920851 1066077218 /nfs/dbraw/zinc/07/72/18/1066077218.db2.gz QUTSYSWNXOODFQ-UHFFFAOYSA-N 0 0 459.121 4.691 20 0 JJADRN Cc1ccsc1CCn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360921384 1066077658 /nfs/dbraw/zinc/07/76/58/1066077658.db2.gz HSTNAMZGEOHCCX-QGZVFWFLSA-N 0 0 459.660 4.898 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC1CCCCCCC1 ZINC001441883814 1066077688 /nfs/dbraw/zinc/07/76/88/1066077688.db2.gz MMPQIKOKVDNYKF-UHFFFAOYSA-N 0 0 454.942 4.504 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccn1 ZINC001441884837 1066077703 /nfs/dbraw/zinc/07/77/03/1066077703.db2.gz MOPPFYMVHUEECC-SIBVEZHUSA-N 0 0 457.574 4.993 20 0 JJADRN COc1cccc(C[C@H]2CCCN2C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001441885802 1066077847 /nfs/dbraw/zinc/07/78/47/1066077847.db2.gz NQABWAFNFYGISZ-LJQANCHMSA-N 0 0 456.608 4.897 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001360922732 1066077950 /nfs/dbraw/zinc/07/79/50/1066077950.db2.gz AUHAVCKFTSINHS-UHFFFAOYSA-N 0 0 496.681 4.579 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001360922433 1066078012 /nfs/dbraw/zinc/07/80/12/1066078012.db2.gz SYZVPSXSEBHODY-GOSISDBHSA-N 0 0 450.320 4.881 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)C)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360922852 1066078359 /nfs/dbraw/zinc/07/83/59/1066078359.db2.gz FCSJTPGBWSORSE-UHFFFAOYSA-N 0 0 462.461 4.926 20 0 JJADRN CN(C)c1ncnc2c1cc(C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)n2C ZINC001441888065 1066078803 /nfs/dbraw/zinc/07/88/03/1066078803.db2.gz IHNQYLDXOUBEEV-LBPRGKRZSA-N 0 0 450.395 4.573 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360923218 1066078785 /nfs/dbraw/zinc/07/87/85/1066078785.db2.gz NKUVMVOWDMTVEX-IBGZPJMESA-N 0 0 461.676 4.925 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360923391 1066079041 /nfs/dbraw/zinc/07/90/41/1066079041.db2.gz QYTDFKAXLSPGRB-QGZVFWFLSA-N 0 0 465.545 4.835 20 0 JJADRN Cc1ccsc1CCn1c(CCCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360924463 1066080629 /nfs/dbraw/zinc/08/06/29/1066080629.db2.gz PYSOCPSHDOLKJN-UHFFFAOYSA-N 0 0 468.667 4.901 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1Cl ZINC001441917388 1066080960 /nfs/dbraw/zinc/08/09/60/1066080960.db2.gz QVUGBTNCVNJZEC-QFIPXVFZSA-N 0 0 451.954 4.882 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001360924836 1066081079 /nfs/dbraw/zinc/08/10/79/1066081079.db2.gz XYXFJSFEMBYBSL-UHFFFAOYSA-N 0 0 488.101 4.682 20 0 JJADRN Cc1cc(CN(C)C(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(C)c1OCC(F)(F)F ZINC001441926794 1066081228 /nfs/dbraw/zinc/08/12/28/1066081228.db2.gz HQORESKYSGMPLG-QGZVFWFLSA-N 0 0 458.521 4.850 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001360924818 1066081249 /nfs/dbraw/zinc/08/12/49/1066081249.db2.gz XCUTZTNKPHVHCY-ZUQCGGBESA-N 0 0 471.696 4.953 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001360925476 1066081557 /nfs/dbraw/zinc/08/15/57/1066081557.db2.gz GRJKXHBIRLJXQV-QRWLVFNGSA-N 0 0 456.391 4.603 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441942682 1066081863 /nfs/dbraw/zinc/08/18/63/1066081863.db2.gz BEEYLJSCBBWFLX-HXOBKFHXSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1ncsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001360925775 1066081868 /nfs/dbraw/zinc/08/18/68/1066081868.db2.gz BCCSLIFQRGWBGQ-UHFFFAOYSA-N 0 0 452.074 4.785 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)C1 ZINC001360926041 1066082166 /nfs/dbraw/zinc/08/21/66/1066082166.db2.gz GFGIWCWMDJQSIJ-CQSZACIVSA-N 0 0 494.484 4.569 20 0 JJADRN Cc1ccsc1CCn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001360925992 1066082194 /nfs/dbraw/zinc/08/21/94/1066082194.db2.gz FGXLIFXSGQGPMI-UHFFFAOYSA-N 0 0 483.657 4.609 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)c(C)c1 ZINC001441956757 1066082652 /nfs/dbraw/zinc/08/26/52/1066082652.db2.gz JMDLAWLKOKRORK-SFHVURJKSA-N 0 0 451.548 4.806 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360926091 1066082682 /nfs/dbraw/zinc/08/26/82/1066082682.db2.gz GZSWTEGPSKOFHX-HSALFYBXSA-N 0 0 489.686 4.667 20 0 JJADRN Cc1ccsc1CCn1c(N(Cc2ccco2)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360926645 1066083456 /nfs/dbraw/zinc/08/34/56/1066083456.db2.gz WKEDTVMCESZMEE-DEOSSOPVSA-N 0 0 458.628 4.939 20 0 JJADRN CCOC(=O)c1cccc(N(CC)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC001441972807 1066083523 /nfs/dbraw/zinc/08/35/23/1066083523.db2.gz XTZDNIKQIWNVAQ-UHFFFAOYSA-N 0 0 458.584 4.534 20 0 JJADRN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCc1ccc(Br)cc1 ZINC001441966569 1066083578 /nfs/dbraw/zinc/08/35/78/1066083578.db2.gz KQOJSNSSJRWGPA-UHFFFAOYSA-N 0 0 450.402 4.891 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360927324 1066083983 /nfs/dbraw/zinc/08/39/83/1066083983.db2.gz VQIPNIZXMKJWDX-MRXNPFEDSA-N 0 0 494.999 4.698 20 0 JJADRN CCOC(=O)c1cc(NC(=O)/C=C/c2cc(Br)c(O)c(OC)c2)ccc1Cl ZINC001441985604 1066084511 /nfs/dbraw/zinc/08/45/11/1066084511.db2.gz JHCJKIZQAVJRJB-QPJJXVBHSA-N 0 0 454.704 4.645 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001360928841 1066084702 /nfs/dbraw/zinc/08/47/02/1066084702.db2.gz PNBLJEWOLZNIEB-FQEVSTJZSA-N 0 0 451.592 4.736 20 0 JJADRN CCC1CCC(CNC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001441996360 1066084795 /nfs/dbraw/zinc/08/47/95/1066084795.db2.gz XUPYWGUFHGYZSU-VCAKUFKGSA-N 0 0 456.656 4.668 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1OCC[C@H]1C ZINC001360929569 1066085197 /nfs/dbraw/zinc/08/51/97/1066085197.db2.gz JPSGHDCIPXDFTE-IDHHARJASA-N 0 0 462.019 4.898 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492597551 1066085206 /nfs/dbraw/zinc/08/52/06/1066085206.db2.gz AREQABYRMGDIRO-MOPGFXCFSA-N 0 0 459.516 4.819 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001360929789 1066085489 /nfs/dbraw/zinc/08/54/89/1066085489.db2.gz MMJHKTAOJKYWBR-FXAWDEMLSA-N 0 0 476.419 4.645 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001360929790 1066085662 /nfs/dbraw/zinc/08/56/62/1066085662.db2.gz MMJHKTAOJKYWBR-PXNSSMCTSA-N 0 0 476.419 4.645 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCn1ccnc1C ZINC001360929785 1066085815 /nfs/dbraw/zinc/08/58/15/1066085815.db2.gz MGCIFEBVOAUOOQ-INIZCTEOSA-N 0 0 472.018 4.678 20 0 JJADRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017711 1066086001 /nfs/dbraw/zinc/08/60/01/1066086001.db2.gz IVKCLMZTSGXMDG-GFCCVEGCSA-N 0 0 450.486 4.900 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCC[C@H]1C ZINC001360929819 1066086006 /nfs/dbraw/zinc/08/60/06/1066086006.db2.gz NDGVIFLUOTZVJS-SPLOXXLWSA-N 0 0 476.444 4.660 20 0 JJADRN C[C@H](COc1ccc(F)cc1)NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001442026674 1066086519 /nfs/dbraw/zinc/08/65/19/1066086519.db2.gz DNZLBOSAKNOFJB-IERDGZPVSA-N 0 0 456.514 4.591 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCOCC1 ZINC001360929997 1066086622 /nfs/dbraw/zinc/08/66/22/1066086622.db2.gz OULPRHKBMKMTKT-UHFFFAOYSA-N 0 0 489.414 4.831 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001442032643 1066086974 /nfs/dbraw/zinc/08/69/74/1066086974.db2.gz AUQSSVLGEMOGET-UHFFFAOYSA-N 0 0 459.930 4.680 20 0 JJADRN C[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)c1nnc2n1CCC2 ZINC001442035857 1066086988 /nfs/dbraw/zinc/08/69/88/1066086988.db2.gz HJEIAMVQMNXVDL-AWEZNQCLSA-N 0 0 457.397 4.770 20 0 JJADRN CCCN(C(=O)c1ccnc(NC(=O)C2CC2)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930396 1066087022 /nfs/dbraw/zinc/08/70/22/1066087022.db2.gz FBIGDPQJQWWERB-QHCPKHFHSA-N 0 0 450.489 4.745 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(O)c1)c1cc(F)cc(F)c1 ZINC001442036718 1066087243 /nfs/dbraw/zinc/08/72/43/1066087243.db2.gz JPGASJBPBIJLFO-IBGZPJMESA-N 0 0 450.363 4.956 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCC2(C)C)cnn1C ZINC001360930610 1066087289 /nfs/dbraw/zinc/08/72/89/1066087289.db2.gz VFYOVAWFQRPJGN-QGZVFWFLSA-N 0 0 474.451 4.551 20 0 JJADRN CCN(CCc1ccccn1)C(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442043079 1066087432 /nfs/dbraw/zinc/08/74/32/1066087432.db2.gz CEHLYCAGYUOOQB-FQEVSTJZSA-N 0 0 457.574 4.647 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442042951 1066087452 /nfs/dbraw/zinc/08/74/52/1066087452.db2.gz FPDDLMOMRQOMNN-KRWDZBQOSA-N 0 0 453.380 4.883 20 0 JJADRN Cc1c(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)sc1S(N)(=O)=O ZINC001442037025 1066087505 /nfs/dbraw/zinc/08/75/05/1066087505.db2.gz IVRAVJRUGSSZIS-UHFFFAOYSA-N 0 0 453.929 4.995 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)OCCCc1cccc2ccccc21 ZINC001360930955 1066087699 /nfs/dbraw/zinc/08/76/99/1066087699.db2.gz KGZXKVVUHFVGJV-JOCHJYFZSA-N 0 0 450.922 4.874 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CC1 ZINC001360931008 1066087775 /nfs/dbraw/zinc/08/77/75/1066087775.db2.gz YGOCNKGJTARJHD-QRQCRPRQSA-N 0 0 462.019 4.634 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCOCC1 ZINC001360931025 1066087859 /nfs/dbraw/zinc/08/78/59/1066087859.db2.gz YNMFGZUVAPATAY-INIZCTEOSA-N 0 0 462.019 4.899 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C(=O)c2ccco2)c1 ZINC001442050099 1066087734 /nfs/dbraw/zinc/08/77/34/1066087734.db2.gz NAVSTYLYGFDCNY-MRXNPFEDSA-N 0 0 453.336 4.529 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1NCc1ccco1 ZINC001442050164 1066088132 /nfs/dbraw/zinc/08/81/32/1066088132.db2.gz NPUWLDZAQHBWRE-QGZVFWFLSA-N 0 0 454.368 4.911 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2(C)C)cnn1C ZINC001360931047 1066088147 /nfs/dbraw/zinc/08/81/47/1066088147.db2.gz YYNDDCIMEYGEEK-MJGOQNOKSA-N 0 0 472.634 4.767 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2(C)C)cnn1C ZINC001360931045 1066088266 /nfs/dbraw/zinc/08/82/66/1066088266.db2.gz YYNDDCIMEYGEEK-HKUYNNGSSA-N 0 0 472.634 4.767 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCCCc1cccc2ccccc21 ZINC001360931752 1066088537 /nfs/dbraw/zinc/08/85/37/1066088537.db2.gz VBPJJMMGHWHRBK-UHFFFAOYSA-N 0 0 451.588 4.733 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(F)F)c2)cnn1C ZINC001360932058 1066088898 /nfs/dbraw/zinc/08/88/98/1066088898.db2.gz DJSBQZKKBFUEBH-UHFFFAOYSA-N 0 0 490.356 4.700 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442065191 1066089172 /nfs/dbraw/zinc/08/91/72/1066089172.db2.gz ACHFYDOLYJAFRT-NRFANRHFSA-N 0 0 452.523 4.832 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CSCCS1 ZINC001360932133 1066089238 /nfs/dbraw/zinc/08/92/38/1066089238.db2.gz GTSZATNNYKZSMC-SFHVURJKSA-N 0 0 466.579 4.933 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001442073621 1066090363 /nfs/dbraw/zinc/09/03/63/1066090363.db2.gz DPLDLZIIFAASCN-UHFFFAOYSA-N 0 0 457.596 4.740 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1OCC[C@H]1C ZINC001360932921 1066090806 /nfs/dbraw/zinc/09/08/06/1066090806.db2.gz UXFMDQOGQCUGDI-SJKOYZFVSA-N 0 0 480.407 4.673 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001360933274 1066091648 /nfs/dbraw/zinc/09/16/48/1066091648.db2.gz MYWXGWQLNOGHNZ-INIZCTEOSA-N 0 0 459.377 4.881 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC001442084283 1066091884 /nfs/dbraw/zinc/09/18/84/1066091884.db2.gz OYQSMLPTHNVGKW-AWEZNQCLSA-N 0 0 457.861 4.672 20 0 JJADRN COc1cc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)ccc1C ZINC001360934025 1066092136 /nfs/dbraw/zinc/09/21/36/1066092136.db2.gz REONZUGJBOJZIQ-UHFFFAOYSA-N 0 0 459.951 4.839 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC001442087033 1066092187 /nfs/dbraw/zinc/09/21/87/1066092187.db2.gz SIZBBYGDZGDTOX-NRFANRHFSA-N 0 0 457.412 4.515 20 0 JJADRN CCCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001442091281 1066092298 /nfs/dbraw/zinc/09/22/98/1066092298.db2.gz CTQAZBICGUFAOU-UHFFFAOYSA-N 0 0 458.580 4.649 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cnn1C ZINC001360934554 1066092386 /nfs/dbraw/zinc/09/23/86/1066092386.db2.gz DHROKTCJEOAJTO-DLBZAZTESA-N 0 0 467.927 4.965 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1nccs1 ZINC001360934552 1066092561 /nfs/dbraw/zinc/09/25/61/1066092561.db2.gz DEHQTQBTMPKRCP-UHFFFAOYSA-N 0 0 467.443 4.675 20 0 JJADRN COCc1nc2sc(C(=O)N[C@@H](C)COc3ccc(C(C)(C)C)cc3)c(C)c2c(OC)n1 ZINC001442092099 1066092564 /nfs/dbraw/zinc/09/25/64/1066092564.db2.gz JVRPTCHXICLCOP-AWEZNQCLSA-N 0 0 457.596 4.650 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@H](C)C2)cnn1C ZINC001360934686 1066092788 /nfs/dbraw/zinc/09/27/88/1066092788.db2.gz IAKPJIQHSKMOKL-QUCCMNQESA-N 0 0 450.631 4.736 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360934694 1066093212 /nfs/dbraw/zinc/09/32/12/1066093212.db2.gz IICDUIHBQFARRL-UHFFFAOYSA-N 0 0 470.639 4.605 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001360934840 1066093495 /nfs/dbraw/zinc/09/34/95/1066093495.db2.gz NVXHBWCTBMWKJA-PXNSSMCTSA-N 0 0 461.035 4.846 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCC1 ZINC001360934785 1066093716 /nfs/dbraw/zinc/09/37/16/1066093716.db2.gz LRKGKIAADYBWCA-UHFFFAOYSA-N 0 0 480.407 4.553 20 0 JJADRN CC(C)[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)N1C[C@@H](C)O[C@H](C)C1 ZINC001442106990 1066094258 /nfs/dbraw/zinc/09/42/58/1066094258.db2.gz OXAANDZPQLDGDB-UMEGOILYSA-N 0 0 458.622 4.521 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)sc21 ZINC001442109648 1066094681 /nfs/dbraw/zinc/09/46/81/1066094681.db2.gz UEXWFHIQZJHINQ-ZDUSSCGKSA-N 0 0 456.312 4.549 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442110821 1066094960 /nfs/dbraw/zinc/09/49/60/1066094960.db2.gz XUGLPOSDTSMXOV-OAQYLSRUSA-N 0 0 454.368 4.972 20 0 JJADRN C[C@H]1CN(Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)CCO1 ZINC001442111431 1066095069 /nfs/dbraw/zinc/09/50/69/1066095069.db2.gz JNLIZSQPTXFHSL-KRWDZBQOSA-N 0 0 456.011 4.538 20 0 JJADRN CCOc1ccc(C2(CNC(=O)c3cn(-c4ccc(Cl)cc4)nc3C)CCOCC2)cc1 ZINC001442110901 1066095190 /nfs/dbraw/zinc/09/51/90/1066095190.db2.gz IHHITCDBMFTIET-UHFFFAOYSA-N 0 0 453.970 4.711 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001442111766 1066095592 /nfs/dbraw/zinc/09/55/92/1066095592.db2.gz KXNLBMZWQSEMBZ-RJRNSMGGSA-N 0 0 459.590 4.574 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC001442112407 1066095762 /nfs/dbraw/zinc/09/57/62/1066095762.db2.gz CKTXOSVYEGAONM-ZSCHDPEDSA-N 0 0 455.530 4.688 20 0 JJADRN CCCCC1CCC(NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001442113992 1066096067 /nfs/dbraw/zinc/09/60/67/1066096067.db2.gz VEUPZVQDFQSVNY-UHFFFAOYSA-N 0 0 455.640 4.613 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)C1)C(=O)OC(C)(C)C ZINC001442114702 1066096121 /nfs/dbraw/zinc/09/61/21/1066096121.db2.gz DJZLKAKWLIEPIP-CQSZACIVSA-N 0 0 459.812 4.751 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(Br)ccc1OC ZINC001360937117 1066096372 /nfs/dbraw/zinc/09/63/72/1066096372.db2.gz IISYDQSIKUNGCK-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 ZINC001360936678 1066096405 /nfs/dbraw/zinc/09/64/05/1066096405.db2.gz COIUEUSOZLXXJE-ZDUSSCGKSA-N 0 0 452.960 4.582 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1csc(Br)c1 ZINC001442117513 1066096507 /nfs/dbraw/zinc/09/65/07/1066096507.db2.gz FYFLVPYHMQYLRF-MRXNPFEDSA-N 0 0 457.821 4.967 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001360937546 1066096665 /nfs/dbraw/zinc/09/66/65/1066096665.db2.gz MOJUENTZJVUTGJ-KUHUBIRLSA-N 0 0 459.493 4.682 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC001360937529 1066096829 /nfs/dbraw/zinc/09/68/29/1066096829.db2.gz MJIMJQCKUDQRTM-KKSFZXQISA-N 0 0 450.970 4.882 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)nc2)cc1 ZINC001442124478 1066096738 /nfs/dbraw/zinc/09/67/38/1066096738.db2.gz WCMZFMUCLZCVAI-GOSISDBHSA-N 0 0 455.555 4.602 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001442121415 1066096864 /nfs/dbraw/zinc/09/68/64/1066096864.db2.gz WVGFHMLYRDADRZ-LJQANCHMSA-N 0 0 457.523 4.702 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC(C)(F)F ZINC001360937805 1066097093 /nfs/dbraw/zinc/09/70/93/1066097093.db2.gz DCIKRHSQPSQLQH-UHFFFAOYSA-N 0 0 470.524 4.819 20 0 JJADRN COc1ccc(C2(CNC(=O)CSc3n[nH]c(-c4ccc(C)cc4)n3)CCCCC2)cc1 ZINC001442127169 1066097341 /nfs/dbraw/zinc/09/73/41/1066097341.db2.gz BLMHIFBBKHBSDG-UHFFFAOYSA-N 0 0 450.608 4.899 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](F)c2ccc(Br)cc2)cnn1C ZINC001360940154 1066097606 /nfs/dbraw/zinc/09/76/06/1066097606.db2.gz JJHORHDBBWIJQS-WOJBJXKFSA-N 0 0 491.409 4.671 20 0 JJADRN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cnc(Cc2ccccc2)s1 ZINC001442144666 1066097749 /nfs/dbraw/zinc/09/77/49/1066097749.db2.gz FBYSXXANJKLSQU-QGZVFWFLSA-N 0 0 456.409 4.753 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)cnn1C ZINC001360941111 1066097904 /nfs/dbraw/zinc/09/79/04/1066097904.db2.gz MUEFVTLSURHXGJ-CEWLAPEOSA-N 0 0 485.677 4.507 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001442153349 1066098112 /nfs/dbraw/zinc/09/81/12/1066098112.db2.gz OZGOMPCGOTWGTC-GOSISDBHSA-N 0 0 457.412 4.740 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC001360942259 1066098281 /nfs/dbraw/zinc/09/82/81/1066098281.db2.gz KZIUNKBSCNGXMP-CVDCTZTESA-N 0 0 458.624 4.559 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)o1 ZINC001360942437 1066098295 /nfs/dbraw/zinc/09/82/95/1066098295.db2.gz PVVKBWBFMKCAIE-OXQOHEQNSA-N 0 0 450.576 4.625 20 0 JJADRN COC[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC001360942770 1066098620 /nfs/dbraw/zinc/09/86/20/1066098620.db2.gz XTGISBIYMURGLG-IBGZPJMESA-N 0 0 458.559 4.778 20 0 JJADRN CCc1cnc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)s1 ZINC001360943881 1066098942 /nfs/dbraw/zinc/09/89/42/1066098942.db2.gz XFGNQMDDCBWYOJ-UHFFFAOYSA-N 0 0 459.984 4.990 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1C ZINC001360943565 1066098998 /nfs/dbraw/zinc/09/89/98/1066098998.db2.gz AAINLXKPLSHGSV-DSKINZAPSA-N 0 0 473.618 4.561 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001360944190 1066099241 /nfs/dbraw/zinc/09/92/41/1066099241.db2.gz OYUBVZMTEWYERX-UHFFFAOYSA-N 0 0 462.019 4.741 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 ZINC001360944697 1066099410 /nfs/dbraw/zinc/09/94/10/1066099410.db2.gz FWWLCWLXPRPDTP-UHFFFAOYSA-N 0 0 487.073 4.716 20 0 JJADRN CCOc1cc(Br)c(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OCC ZINC001442181069 1066099472 /nfs/dbraw/zinc/09/94/72/1066099472.db2.gz IIRNXJOVEMVWPF-OAHLLOKOSA-N 0 0 457.365 4.585 20 0 JJADRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(Br)c(Br)[nH]1 ZINC001442180002 1066099480 /nfs/dbraw/zinc/09/94/80/1066099480.db2.gz VWDOIXAOCFTMAU-LLVKDONJSA-N 0 0 458.150 4.740 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCc4cc(C)ccc43)c2)cc1 ZINC001442180537 1066099544 /nfs/dbraw/zinc/09/95/44/1066099544.db2.gz JTKFFZMXKQSGJT-XMMPIXPASA-N 0 0 450.560 4.612 20 0 JJADRN O=C(Cc1ccc(Br)s1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001442189457 1066100676 /nfs/dbraw/zinc/10/06/76/1066100676.db2.gz WEVCVFWQMWBFDF-UHFFFAOYSA-N 0 0 454.187 4.882 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC(C)(C)C)cc1 ZINC001360945584 1066100648 /nfs/dbraw/zinc/10/06/48/1066100648.db2.gz PSGVHXIIZLLGEP-UHFFFAOYSA-N 0 0 458.624 4.747 20 0 JJADRN C[C@@]1(CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)NC(=O)NC1=O ZINC001442190264 1066101374 /nfs/dbraw/zinc/10/13/74/1066101374.db2.gz WBQSIOYPLUUDMT-FQEVSTJZSA-N 0 0 454.285 4.632 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001360946266 1066101302 /nfs/dbraw/zinc/10/13/02/1066101302.db2.gz GVQIQLFRFHWSMZ-MRXNPFEDSA-N 0 0 459.616 4.629 20 0 JJADRN Cc1occc1CN(C)c1nnc(CCc2ccccc2)n1Cc1cccc(Br)n1 ZINC001360947203 1066101927 /nfs/dbraw/zinc/10/19/27/1066101927.db2.gz COYIYGFPEWOSHU-UHFFFAOYSA-N 0 0 466.383 4.807 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)c(OC[C@H]2CCCO2)c1 ZINC001442203878 1066101965 /nfs/dbraw/zinc/10/19/65/1066101965.db2.gz CCWYLQDFUVMRJY-QHAWAJNXSA-N 0 0 458.599 4.775 20 0 JJADRN Cc1c(CN(C)c2nnc(CC3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cnn1C ZINC001360947266 1066101985 /nfs/dbraw/zinc/10/19/85/1066101985.db2.gz FRUWCLFGFCQHQU-FGZHOGPDSA-N 0 0 456.679 4.919 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)CCCNC(=O)c1cccnc1 ZINC001442207038 1066101992 /nfs/dbraw/zinc/10/19/92/1066101992.db2.gz BUQBQFWWFIYRHO-UHFFFAOYSA-N 0 0 459.468 4.919 20 0 JJADRN Cc1occc1CN(C)c1nnc(CCc2ccccc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360947342 1066102439 /nfs/dbraw/zinc/10/24/39/1066102439.db2.gz IKDCVOCXIVPBRG-UHFFFAOYSA-N 0 0 489.567 4.761 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC001360947697 1066103116 /nfs/dbraw/zinc/10/31/16/1066103116.db2.gz WDPNINGRBLYOGQ-BVAGGSTKSA-N 0 0 478.685 4.973 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C ZINC001360947976 1066103172 /nfs/dbraw/zinc/10/31/72/1066103172.db2.gz GNJMTQXCXMXNJW-UHFFFAOYSA-N 0 0 451.445 4.773 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccc(Br)cc1 ZINC001442214228 1066103257 /nfs/dbraw/zinc/10/32/57/1066103257.db2.gz ZMDZJERVMRDGTC-FQEVSTJZSA-N 0 0 450.421 4.566 20 0 JJADRN CCn1ncc(C(=O)Nc2cc(F)c(F)cc2I)c1-c1ccccc1 ZINC001360948992 1066103586 /nfs/dbraw/zinc/10/35/86/1066103586.db2.gz PWMKZDHSCWPDJR-UHFFFAOYSA-N 0 0 453.230 4.705 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSc2ccccc2)cnn1C ZINC001360949287 1066103671 /nfs/dbraw/zinc/10/36/71/1066103671.db2.gz AZWPONRQNATSGG-FGZHOGPDSA-N 0 0 468.671 4.667 20 0 JJADRN Cc1sc(CNC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccc(Cl)cc1 ZINC001442224912 1066103609 /nfs/dbraw/zinc/10/36/09/1066103609.db2.gz WGDXKPRVLPHRHH-OAQYLSRUSA-N 0 0 453.967 4.737 20 0 JJADRN Cc1sc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)nc1-c1ccc(Cl)cc1 ZINC001442218701 1066103760 /nfs/dbraw/zinc/10/37/60/1066103760.db2.gz FWQCJPDKZLITAW-PGRDOPGGSA-N 0 0 457.958 4.747 20 0 JJADRN COc1cc(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)ccc1C ZINC001442224599 1066103825 /nfs/dbraw/zinc/10/38/25/1066103825.db2.gz VAASBGMEVGDFNU-UHFFFAOYSA-N 0 0 458.558 4.891 20 0 JJADRN CCC(C)(C)OCc1cccc(NC(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)c1C ZINC001442225459 1066104345 /nfs/dbraw/zinc/10/43/45/1066104345.db2.gz CQXOYHRPSNMARK-MHZLTWQESA-N 0 0 452.595 4.714 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)nc1 ZINC001360949501 1066104890 /nfs/dbraw/zinc/10/48/90/1066104890.db2.gz IZFVUGSZHCVJAL-VQIMIIECSA-N 0 0 461.035 4.695 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)CCOCC1 ZINC001442228766 1066105017 /nfs/dbraw/zinc/10/50/17/1066105017.db2.gz YRXORBQYRSKLIS-UHFFFAOYSA-N 0 0 454.567 4.829 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC001442229218 1066105026 /nfs/dbraw/zinc/10/50/26/1066105026.db2.gz AFQHBROZVMAYGS-UHFFFAOYSA-N 0 0 451.468 4.850 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC001442231070 1066105111 /nfs/dbraw/zinc/10/51/11/1066105111.db2.gz HXURWTXTLOMJMK-NRFANRHFSA-N 0 0 452.505 4.652 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)n2)cc1 ZINC001442229647 1066105128 /nfs/dbraw/zinc/10/51/28/1066105128.db2.gz CFURHVHHWLVZHD-UHFFFAOYSA-N 0 0 457.408 4.970 20 0 JJADRN COCCCCN(Cc1ccccc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC001442235777 1066105949 /nfs/dbraw/zinc/10/59/49/1066105949.db2.gz WEOUZWUQLCNQGS-HXUWFJFHSA-N 0 0 455.599 4.869 20 0 JJADRN CC[C@]1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001442232786 1066105956 /nfs/dbraw/zinc/10/59/56/1066105956.db2.gz BGEMGDYTHGUJLR-AREMUKBSSA-N 0 0 458.599 4.913 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001442240037 1066106643 /nfs/dbraw/zinc/10/66/43/1066106643.db2.gz TWTIAAXTPGHPBZ-AUSIDOKSSA-N 0 0 451.007 4.730 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 ZINC001360949751 1066106781 /nfs/dbraw/zinc/10/67/81/1066106781.db2.gz RRXDADNLVXTBOL-OAQYLSRUSA-N 0 0 464.060 4.786 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360949759 1066106788 /nfs/dbraw/zinc/10/67/88/1066106788.db2.gz RWSSJENWMAAWNO-KRWDZBQOSA-N 0 0 487.576 4.789 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 ZINC001360949819 1066106842 /nfs/dbraw/zinc/10/68/42/1066106842.db2.gz UQMQCCMOFCNIAY-SFHVURJKSA-N 0 0 490.674 4.568 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001360949739 1066106876 /nfs/dbraw/zinc/10/68/76/1066106876.db2.gz RHMAJGTXXOQCLP-HZPDHXFCSA-N 0 0 459.591 4.601 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC001442245445 1066107292 /nfs/dbraw/zinc/10/72/92/1066107292.db2.gz LHXIXYRKRCDXBR-GCJKJVERSA-N 0 0 454.368 4.841 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC001442245293 1066107370 /nfs/dbraw/zinc/10/73/70/1066107370.db2.gz LAMZQMCWDFRSFZ-HXUWFJFHSA-N 0 0 454.885 4.994 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC001442246353 1066107954 /nfs/dbraw/zinc/10/79/54/1066107954.db2.gz CMKZTEVTNKDSTO-INIZCTEOSA-N 0 0 452.507 4.827 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360950897 1066108082 /nfs/dbraw/zinc/10/80/82/1066108082.db2.gz UVCMARSLAJWQHR-UHFFFAOYSA-N 0 0 481.494 4.827 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001360950657 1066108147 /nfs/dbraw/zinc/10/81/47/1066108147.db2.gz PLQGOFRPJHMIFL-GOSISDBHSA-N 0 0 481.544 4.658 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC001360951443 1066108483 /nfs/dbraw/zinc/10/84/83/1066108483.db2.gz YTKGCSGCKVHWEQ-KRWDZBQOSA-N 0 0 450.869 4.510 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1I ZINC001442255357 1066108993 /nfs/dbraw/zinc/10/89/93/1066108993.db2.gz BKRUEAYPQLMWGQ-AWEZNQCLSA-N 0 0 457.743 4.569 20 0 JJADRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953205 1066109624 /nfs/dbraw/zinc/10/96/24/1066109624.db2.gz BNILTCFTDDJSJD-HMWXGYMHSA-N 0 0 451.972 4.593 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(C)C ZINC001360952780 1066109651 /nfs/dbraw/zinc/10/96/51/1066109651.db2.gz BDKGGPMGEGASGZ-UHFFFAOYSA-N 0 0 450.518 4.650 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC001442265623 1066110191 /nfs/dbraw/zinc/11/01/91/1066110191.db2.gz LHLUYUWLFJUFAP-UHFFFAOYSA-N 0 0 450.969 4.531 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cnn1CC(C)C ZINC001360953518 1066110281 /nfs/dbraw/zinc/11/02/81/1066110281.db2.gz TWZRXYVRCFJPRL-JOCHJYFZSA-N 0 0 475.012 4.981 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360953265 1066110339 /nfs/dbraw/zinc/11/03/39/1066110339.db2.gz IZQCPTJMMDYNPB-MRXNPFEDSA-N 0 0 479.984 4.761 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC001442265628 1066110701 /nfs/dbraw/zinc/11/07/01/1066110701.db2.gz LKWUPXAZMNDTPC-UHFFFAOYSA-N 0 0 458.967 4.732 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001360954321 1066110960 /nfs/dbraw/zinc/11/09/60/1066110960.db2.gz RVZUSJAAHFULSB-UHFFFAOYSA-N 0 0 466.998 4.676 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H](C)NC(=O)C1CCCCC1)CCO2 ZINC001360954804 1066111013 /nfs/dbraw/zinc/11/10/13/1066111013.db2.gz AMSMPQZHNKTSDZ-YADARESESA-N 0 0 450.579 4.633 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1CC(C)C ZINC001360954332 1066111039 /nfs/dbraw/zinc/11/10/39/1066111039.db2.gz RYNZWXHGKUPHHL-AIZNXBIQSA-N 0 0 499.704 4.977 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360955545 1066111381 /nfs/dbraw/zinc/11/13/81/1066111381.db2.gz FCLRTCTWZIKTGT-APWZRJJASA-N 0 0 474.606 4.549 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360955549 1066111475 /nfs/dbraw/zinc/11/14/75/1066111475.db2.gz FCLRTCTWZIKTGT-QFBILLFUSA-N 0 0 474.606 4.549 20 0 JJADRN COc1ccc(CNC(=O)CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC001442284608 1066111826 /nfs/dbraw/zinc/11/18/26/1066111826.db2.gz NYDJOYULGSTYFF-UHFFFAOYSA-N 0 0 457.452 4.504 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442285819 1066111914 /nfs/dbraw/zinc/11/19/14/1066111914.db2.gz ULCTYARTFDTYNX-UHFFFAOYSA-N 0 0 453.901 4.655 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001442291753 1066112491 /nfs/dbraw/zinc/11/24/91/1066112491.db2.gz DRPBBKMFVNPNRC-IZZNHLLZSA-N 0 0 459.565 4.968 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC001442296092 1066112516 /nfs/dbraw/zinc/11/25/16/1066112516.db2.gz LTNFQTYPQYDXDM-UHFFFAOYSA-N 0 0 455.356 4.754 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1NC(=O)Nc1ccccc1 ZINC001442295985 1066112525 /nfs/dbraw/zinc/11/25/25/1066112525.db2.gz PDPPKGUAAMEEKC-UHFFFAOYSA-N 0 0 452.536 4.571 20 0 JJADRN Cc1cc(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)cc(C)c1OC(F)F ZINC001442294735 1066112564 /nfs/dbraw/zinc/11/25/64/1066112564.db2.gz IQLCYGVKBMVTAK-UHFFFAOYSA-N 0 0 451.945 4.500 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCSCC2)cnn1CC(C)C ZINC001360956350 1066112584 /nfs/dbraw/zinc/11/25/84/1066112584.db2.gz KNOKPXWZOGBWDZ-GOSISDBHSA-N 0 0 475.062 4.834 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001360956792 1066112828 /nfs/dbraw/zinc/11/28/28/1066112828.db2.gz QJWVVIPBTFQCMX-INIZCTEOSA-N 0 0 499.044 4.830 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C(C)(C)C)CC2)cnn1C ZINC001360956962 1066113546 /nfs/dbraw/zinc/11/35/46/1066113546.db2.gz SYPXLEVOXFJBSB-SFHVURJKSA-N 0 0 452.578 4.830 20 0 JJADRN Cc1ccsc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001360957015 1066113571 /nfs/dbraw/zinc/11/35/71/1066113571.db2.gz UQWLBGWJDNKNRI-ZWKOTPCHSA-N 0 0 488.057 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC001442299143 1066113519 /nfs/dbraw/zinc/11/35/19/1066113519.db2.gz XGHGHNFRRLPHCT-GMAHTHKFSA-N 0 0 452.551 4.717 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)C(=O)OC)cc1 ZINC001442299729 1066113590 /nfs/dbraw/zinc/11/35/90/1066113590.db2.gz KUCYRCDZKQZMML-UOBPLZBXSA-N 0 0 453.432 4.563 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](CC(C)C)n3ccnc3)cc2Cl)n1 ZINC001442301634 1066113949 /nfs/dbraw/zinc/11/39/49/1066113949.db2.gz ISNFYWFZMUWTNZ-LAUBAEHRSA-N 0 0 456.978 4.775 20 0 JJADRN Cc1nnsc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)(F)C1 ZINC001360957754 1066113940 /nfs/dbraw/zinc/11/39/40/1066113940.db2.gz ACLXILUOIOLGIJ-UHFFFAOYSA-N 0 0 487.349 4.536 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001360957168 1066114051 /nfs/dbraw/zinc/11/40/51/1066114051.db2.gz VJFOCDXGCASGLY-HXUWFJFHSA-N 0 0 499.587 4.812 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C(=O)OC)cc1 ZINC001442301460 1066114074 /nfs/dbraw/zinc/11/40/74/1066114074.db2.gz OWFPYRBINABDCJ-NRFANRHFSA-N 0 0 457.998 4.990 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C(=O)OC)cc1 ZINC001442301561 1066114110 /nfs/dbraw/zinc/11/41/10/1066114110.db2.gz OWFPYRBINABDCJ-OAQYLSRUSA-N 0 0 457.998 4.990 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001360958044 1066114548 /nfs/dbraw/zinc/11/45/48/1066114548.db2.gz XXNFRQXTVZVEKU-UHFFFAOYSA-N 0 0 451.281 4.689 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2ccccc2)c[nH]1 ZINC001442307856 1066115296 /nfs/dbraw/zinc/11/52/96/1066115296.db2.gz MFFHQPLTKGFALZ-HBMCJLEFSA-N 0 0 452.599 4.927 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c(OCC(F)(F)F)c1 ZINC001360958737 1066115594 /nfs/dbraw/zinc/11/55/94/1066115594.db2.gz JWTBWXOPEYFONS-LSDHHAIUSA-N 0 0 459.367 4.758 20 0 JJADRN Cc1ccoc1Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C ZINC001360959006 1066116243 /nfs/dbraw/zinc/11/62/43/1066116243.db2.gz XSYCGQFPHPSUFR-UHFFFAOYSA-N 0 0 478.622 4.678 20 0 JJADRN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329935 1066116365 /nfs/dbraw/zinc/11/63/65/1066116365.db2.gz TZZJTFRJKDBLPZ-QLFBSQMISA-N 0 0 454.423 4.831 20 0 JJADRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001442325672 1066116458 /nfs/dbraw/zinc/11/64/58/1066116458.db2.gz GDVGIGQBFKPXOV-HNAYVOBHSA-N 0 0 450.564 4.919 20 0 JJADRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442317872 1066116486 /nfs/dbraw/zinc/11/64/86/1066116486.db2.gz PQYDHELKPNXCJV-HUUCEWRRSA-N 0 0 451.430 4.750 20 0 JJADRN C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC001442333584 1066117652 /nfs/dbraw/zinc/11/76/52/1066117652.db2.gz DXXQQQUEHFIJAN-HFRPFFAFSA-N 0 0 455.599 4.559 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC(C)CC1 ZINC001360960098 1066118278 /nfs/dbraw/zinc/11/82/78/1066118278.db2.gz ZXTREDYZYQPRFU-UHFFFAOYSA-N 0 0 467.462 4.992 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360960176 1066118594 /nfs/dbraw/zinc/11/85/94/1066118594.db2.gz CVMSXCWHZBEFDY-NRFANRHFSA-N 0 0 464.998 4.587 20 0 JJADRN CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)cc2C1 ZINC001442348382 1066118736 /nfs/dbraw/zinc/11/87/36/1066118736.db2.gz GHVFAFAOUBQOJN-LEWJYISDSA-N 0 0 454.636 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CC3)c3ccccc32)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545948469 1066119106 /nfs/dbraw/zinc/11/91/06/1066119106.db2.gz RPOCTHATTZRQPS-LJQANCHMSA-N 0 0 496.656 4.683 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360960443 1066119692 /nfs/dbraw/zinc/11/96/92/1066119692.db2.gz MLLPHMCAMDNPPO-INIZCTEOSA-N 0 0 485.997 4.544 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC001442355852 1066119780 /nfs/dbraw/zinc/11/97/80/1066119780.db2.gz WCIQNOIVFVLCAF-IRXDYDNUSA-N 0 0 456.995 4.912 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)Cc1ccccc1 ZINC001442363954 1066120197 /nfs/dbraw/zinc/12/01/97/1066120197.db2.gz FQQDWNGCXMOQHG-FQEVSTJZSA-N 0 0 452.576 4.749 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)Cc1ccccc1 ZINC001442367603 1066120240 /nfs/dbraw/zinc/12/02/40/1066120240.db2.gz MXUOFAQXYQTSHA-QFIPXVFZSA-N 0 0 459.546 4.791 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)C2)c1 ZINC001360960869 1066120755 /nfs/dbraw/zinc/12/07/55/1066120755.db2.gz CERAEACOWBVCTB-OAQYLSRUSA-N 0 0 450.579 4.679 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001442371025 1066120813 /nfs/dbraw/zinc/12/08/13/1066120813.db2.gz DSFRAJVMTQCTIN-PNCHPQGNSA-N 0 0 458.002 4.737 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001442370895 1066120903 /nfs/dbraw/zinc/12/09/03/1066120903.db2.gz DGNCDOVPYDDZHG-IYBDPMFKSA-N 0 0 456.384 4.965 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386069 1066121987 /nfs/dbraw/zinc/12/19/87/1066121987.db2.gz FRDMYOHIMIQGKH-SFTDATJTSA-N 0 0 458.505 4.829 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360962633 1066122326 /nfs/dbraw/zinc/12/23/26/1066122326.db2.gz MCZDQTFMMPQWNW-UHFFFAOYSA-N 0 0 460.047 4.564 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962483 1066122341 /nfs/dbraw/zinc/12/23/41/1066122341.db2.gz GUOUWEFFUZDFMZ-ROUUACIJSA-N 0 0 469.561 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442387447 1066122509 /nfs/dbraw/zinc/12/25/09/1066122509.db2.gz PMOOFEYIUSWYFP-LJQANCHMSA-N 0 0 459.493 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386988 1066122513 /nfs/dbraw/zinc/12/25/13/1066122513.db2.gz OGNBPWOHNZXRIO-MOPGFXCFSA-N 0 0 450.526 4.961 20 0 JJADRN CCCCOCCNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001442389109 1066122557 /nfs/dbraw/zinc/12/25/57/1066122557.db2.gz FWTBJXMOEYSVOF-FQEVSTJZSA-N 0 0 450.579 4.580 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360963073 1066122712 /nfs/dbraw/zinc/12/27/12/1066122712.db2.gz BGBLCZHMGGJNRJ-JPYJTQIMSA-N 0 0 451.954 4.547 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H](C)OC(C)(C)C3)ccc2C)cc1 ZINC001442392975 1066123017 /nfs/dbraw/zinc/12/30/17/1066123017.db2.gz DPTJBZONHBDMRJ-IBGZPJMESA-N 0 0 458.624 4.778 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360964109 1066123262 /nfs/dbraw/zinc/12/32/62/1066123262.db2.gz NBKGZMYUIVAPSH-AVRWGWEMSA-N 0 0 452.501 4.776 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360964110 1066123278 /nfs/dbraw/zinc/12/32/78/1066123278.db2.gz NBKGZMYUIVAPSH-BVZFJXPGSA-N 0 0 452.501 4.776 20 0 JJADRN COC(C)(C)C[C@@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001360965157 1066123933 /nfs/dbraw/zinc/12/39/33/1066123933.db2.gz JQXBCCHCEJPVOV-OAHLLOKOSA-N 0 0 452.473 4.656 20 0 JJADRN COc1ccc(Cn2cc(C(=O)NC(Cc3ccccc3)Cc3ccccc3)cn2)cc1OC ZINC001442397621 1066124100 /nfs/dbraw/zinc/12/41/00/1066124100.db2.gz WJWIVUSZAQJNHM-UHFFFAOYSA-N 0 0 455.558 4.532 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C1CC1 ZINC001360967708 1066125065 /nfs/dbraw/zinc/12/50/65/1066125065.db2.gz KYMFQJLHDUUSDC-JOCHJYFZSA-N 0 0 458.986 4.881 20 0 JJADRN Cc1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(C)c1Br ZINC001442404486 1066125761 /nfs/dbraw/zinc/12/57/61/1066125761.db2.gz VWZBLISGRLACDJ-UHFFFAOYSA-N 0 0 450.446 4.778 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001360968811 1066126033 /nfs/dbraw/zinc/12/60/33/1066126033.db2.gz GJGHJCRXCYTJER-VXKWHMMOSA-N 0 0 457.412 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC001442417742 1066126160 /nfs/dbraw/zinc/12/61/60/1066126160.db2.gz UDJAEUREQSKDDX-HSZRJFAPSA-N 0 0 456.558 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC001442417751 1066126292 /nfs/dbraw/zinc/12/62/92/1066126292.db2.gz UDJAEUREQSKDDX-QHCPKHFHSA-N 0 0 456.558 4.771 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)CCN1CSCCSC1 ZINC001442415357 1066126294 /nfs/dbraw/zinc/12/62/94/1066126294.db2.gz QBMITOMHFIKEMP-UHFFFAOYSA-N 0 0 451.633 4.739 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001442436486 1066126806 /nfs/dbraw/zinc/12/68/06/1066126806.db2.gz ULFDDKNIIYBHTF-FQEVSTJZSA-N 0 0 456.514 4.548 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NCCNc3ccc(C(F)(F)F)cn3)cs2)cc1 ZINC001442425924 1066126839 /nfs/dbraw/zinc/12/68/39/1066126839.db2.gz DSTQKWQJKOHMTP-UHFFFAOYSA-N 0 0 450.486 4.853 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001360970090 1066126975 /nfs/dbraw/zinc/12/69/75/1066126975.db2.gz DDFKEPDPOHVEQZ-KRWDZBQOSA-N 0 0 452.251 4.674 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360971486 1066127439 /nfs/dbraw/zinc/12/74/39/1066127439.db2.gz TUNMCYZJGKIZRO-UYAOXDASSA-N 0 0 489.686 4.720 20 0 JJADRN Cc1ccoc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001360971446 1066127480 /nfs/dbraw/zinc/12/74/80/1066127480.db2.gz SLDITMRIMPZLOB-ROUUACIJSA-N 0 0 475.659 4.673 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001360971664 1066127491 /nfs/dbraw/zinc/12/74/91/1066127491.db2.gz WCIGHVSMGUVRDW-IHPCNDPISA-N 0 0 473.618 4.551 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001360971984 1066128080 /nfs/dbraw/zinc/12/80/80/1066128080.db2.gz YVWFNYWLTQRLPB-QZTJIDSGSA-N 0 0 487.626 4.795 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)cnn1CC(C)C ZINC001360972175 1066128103 /nfs/dbraw/zinc/12/81/03/1066128103.db2.gz PWMRMSQFNNOIHZ-HSZRJFAPSA-N 0 0 468.621 4.793 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001360972134 1066128161 /nfs/dbraw/zinc/12/81/61/1066128161.db2.gz OMTPPMAPOIIZCA-UHFFFAOYSA-N 0 0 481.435 4.795 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001360972334 1066128514 /nfs/dbraw/zinc/12/85/14/1066128514.db2.gz VOWRHBXRUNMTKM-UHFFFAOYSA-N 0 0 457.688 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)C(C)(C)C1 ZINC001442472935 1066129197 /nfs/dbraw/zinc/12/91/97/1066129197.db2.gz GBNAUONHUUMQHJ-NRFANRHFSA-N 0 0 457.615 4.715 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001442471952 1066129203 /nfs/dbraw/zinc/12/92/03/1066129203.db2.gz NERQSPFHFYBFBJ-FKBYEOEOSA-N 0 0 468.594 4.573 20 0 JJADRN Cc1ccoc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001360973035 1066129658 /nfs/dbraw/zinc/12/96/58/1066129658.db2.gz UZBCUMWZRDBKDB-UHFFFAOYSA-N 0 0 486.016 4.777 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360972996 1066129696 /nfs/dbraw/zinc/12/96/96/1066129696.db2.gz SPXAUHWAFFCRCO-SFHVURJKSA-N 0 0 471.577 4.822 20 0 JJADRN Cc1c(Cn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360973271 1066130219 /nfs/dbraw/zinc/13/02/19/1066130219.db2.gz DEWHVZKPEALEDK-OYRHEFFESA-N 0 0 466.699 4.993 20 0 JJADRN Cc1ccsc1Cn1c(CC2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360973317 1066130241 /nfs/dbraw/zinc/13/02/41/1066130241.db2.gz GCYSFNWEXUTCFW-LJQANCHMSA-N 0 0 459.660 4.780 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442476018 1066130393 /nfs/dbraw/zinc/13/03/93/1066130393.db2.gz STVCLUULFDEDGL-UYAOXDASSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360974353 1066131049 /nfs/dbraw/zinc/13/10/49/1066131049.db2.gz RDLUFOHTALUQOX-UHFFFAOYSA-N 0 0 496.681 4.765 20 0 JJADRN Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCOC(C)(C)C)oc2ccc(F)cc12 ZINC001360976230 1066131677 /nfs/dbraw/zinc/13/16/77/1066131677.db2.gz DEAOAYGRTPLQTH-UHFFFAOYSA-N 0 0 499.612 4.763 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)ccc1OCC(F)(F)F ZINC001360975913 1066131723 /nfs/dbraw/zinc/13/17/23/1066131723.db2.gz MDIAUKQYGOKARW-UHFFFAOYSA-N 0 0 458.392 4.578 20 0 JJADRN CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC001442504188 1066131980 /nfs/dbraw/zinc/13/19/80/1066131980.db2.gz QRWSGQXQMDHHRJ-LJQANCHMSA-N 0 0 452.576 4.994 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1 ZINC001442507540 1066132056 /nfs/dbraw/zinc/13/20/56/1066132056.db2.gz LPWUMFJEGFUZJN-HNNXBMFYSA-N 0 0 454.473 4.682 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360976274 1066132100 /nfs/dbraw/zinc/13/21/00/1066132100.db2.gz FOWDRYCOFQGRQE-UHFFFAOYSA-N 0 0 489.414 4.963 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCn1cccn1 ZINC001360976477 1066132153 /nfs/dbraw/zinc/13/21/53/1066132153.db2.gz IITJPHJYXLTRFL-UHFFFAOYSA-N 0 0 464.639 4.906 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)Oc1ccccc1F ZINC001545949611 1066132548 /nfs/dbraw/zinc/13/25/48/1066132548.db2.gz BFZWUTQHYDYKHM-WOJBJXKFSA-N 0 0 473.637 4.777 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCC(C)(C)C2)cnn1C ZINC001360976664 1066132617 /nfs/dbraw/zinc/13/26/17/1066132617.db2.gz OVFDIZMEDDXIMB-UHFFFAOYSA-N 0 0 450.631 4.871 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2=O)cc1 ZINC001442527241 1066132926 /nfs/dbraw/zinc/13/29/26/1066132926.db2.gz HJWSPRJTVFAOQB-SFTDATJTSA-N 0 0 454.014 4.678 20 0 JJADRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001442527688 1066132933 /nfs/dbraw/zinc/13/29/33/1066132933.db2.gz KBMXBHCUULWILC-ZHRRBRCNSA-N 0 0 455.352 4.943 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360976945 1066133088 /nfs/dbraw/zinc/13/30/88/1066133088.db2.gz ZFEWJABUAYPJNI-UHFFFAOYSA-N 0 0 476.597 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2C1 ZINC001442531129 1066133602 /nfs/dbraw/zinc/13/36/02/1066133602.db2.gz VAVZYWUKIHZDBS-KRWDZBQOSA-N 0 0 455.986 4.847 20 0 JJADRN Cc1c(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cnn1CC(C)C ZINC001360977099 1066133710 /nfs/dbraw/zinc/13/37/10/1066133710.db2.gz DUJFPZUHMMXLRA-JOCHJYFZSA-N 0 0 498.647 4.989 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1Cc2cc(Br)ccc2O1 ZINC001442534913 1066133687 /nfs/dbraw/zinc/13/36/87/1066133687.db2.gz XYCOLWOTMYRPKJ-HXUWFJFHSA-N 0 0 458.356 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC001442530776 1066133709 /nfs/dbraw/zinc/13/37/09/1066133709.db2.gz LUENMOYHEQTVLH-RBBKRZOGSA-N 0 0 475.593 4.634 20 0 JJADRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001442530420 1066133734 /nfs/dbraw/zinc/13/37/34/1066133734.db2.gz RJHHLWMBDWMHNN-UHFFFAOYSA-N 0 0 450.495 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC001442538844 1066134125 /nfs/dbraw/zinc/13/41/25/1066134125.db2.gz FEFCHCXTLQTSNX-RTBURBONSA-N 0 0 451.405 4.772 20 0 JJADRN Cc1c(Cn2c(N(C)CC3CCCCC3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001360977679 1066135775 /nfs/dbraw/zinc/13/57/75/1066135775.db2.gz YSQJFBKAPSCLEY-AREMUKBSSA-N 0 0 472.678 4.544 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(F)F ZINC001442546907 1066135828 /nfs/dbraw/zinc/13/58/28/1066135828.db2.gz WEABDFPBYQCIMZ-RTBURBONSA-N 0 0 454.464 4.913 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c2ccccc2Cl)c(OC)c1 ZINC001360978080 1066136047 /nfs/dbraw/zinc/13/60/47/1066136047.db2.gz KXLHEWABMUCUEE-JKSBSHDWSA-N 0 0 459.970 4.931 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)o1 ZINC001360978586 1066136758 /nfs/dbraw/zinc/13/67/58/1066136758.db2.gz XUYUTIRFIDOFMM-UQNNOOFXSA-N 0 0 455.894 4.656 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 ZINC001360978281 1066136809 /nfs/dbraw/zinc/13/68/09/1066136809.db2.gz RANARWNIUIUGAI-QHCPKHFHSA-N 0 0 453.922 4.972 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(CNC(C)=O)cc2)c2ccccc2Cl)c(OC)c1 ZINC001360978732 1066136820 /nfs/dbraw/zinc/13/68/20/1066136820.db2.gz YUDHGNJWFDASRE-XMMPIXPASA-N 0 0 452.938 4.513 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)Nc2ccc(Nc3ccccc3)nc2)=NN1c1ccccc1 ZINC001442551465 1066136936 /nfs/dbraw/zinc/13/69/36/1066136936.db2.gz ZLQTTYGNFGAGQY-QFIPXVFZSA-N 0 0 457.534 4.740 20 0 JJADRN Cc1c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)cnn1CC(C)C ZINC001360979572 1066137601 /nfs/dbraw/zinc/13/76/01/1066137601.db2.gz QEZXANPXCVRIFF-ZNTQHIFFSA-N 0 0 499.704 4.740 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)NCCCOc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC001442560364 1066137888 /nfs/dbraw/zinc/13/78/88/1066137888.db2.gz JIKQHXQLOWZNSH-AWEZNQCLSA-N 0 0 453.391 4.654 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cc(Br)ccc3OC)n2)C1(C)C ZINC001360979728 1066138077 /nfs/dbraw/zinc/13/80/77/1066138077.db2.gz LXNKOVHJUXQEPY-IRXDYDNUSA-N 0 0 453.402 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC001442564870 1066138462 /nfs/dbraw/zinc/13/84/62/1066138462.db2.gz YKYGBXSCUCRQTB-FQEVSTJZSA-N 0 0 451.567 4.708 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 ZINC001360980625 1066138575 /nfs/dbraw/zinc/13/85/75/1066138575.db2.gz CGMKJBJSSRGALD-ZDUSSCGKSA-N 0 0 464.795 4.661 20 0 JJADRN Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C)c1 ZINC001442573197 1066139665 /nfs/dbraw/zinc/13/96/65/1066139665.db2.gz LSKBDHUSUFNXCM-HSZRJFAPSA-N 0 0 454.567 4.656 20 0 JJADRN Cc1cccc(N2N=C(C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CCC2=O)c1 ZINC001360981470 1066140082 /nfs/dbraw/zinc/14/00/82/1066140082.db2.gz OWPAOYLARJVYPW-QGZVFWFLSA-N 0 0 450.539 4.702 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360981383 1066140119 /nfs/dbraw/zinc/14/01/19/1066140119.db2.gz OPKCVVSYGGRZAG-IBGZPJMESA-N 0 0 483.016 4.796 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)ccc21 ZINC001442575350 1066140285 /nfs/dbraw/zinc/14/02/85/1066140285.db2.gz OEKSJHFIYCABJK-UHFFFAOYSA-N 0 0 453.495 4.509 20 0 JJADRN CC[C@@H](C)Sc1ccc(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c(C)c1 ZINC001442586075 1066140802 /nfs/dbraw/zinc/14/08/02/1066140802.db2.gz IMFOKTJNDGAUHV-MWTRTKDXSA-N 0 0 452.592 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC001442588380 1066141338 /nfs/dbraw/zinc/14/13/38/1066141338.db2.gz CWYYLDQUJRUFHG-WFASDCNBSA-N 0 0 455.304 4.840 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC001442595347 1066142255 /nfs/dbraw/zinc/14/22/55/1066142255.db2.gz QAEDOYVYEMMADO-FCHUYYIVSA-N 0 0 462.594 4.784 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545950295 1066143314 /nfs/dbraw/zinc/14/33/14/1066143314.db2.gz NSFLWQOYTYQECK-TZIWHRDSSA-N 0 0 459.610 4.913 20 0 JJADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001442605405 1066143959 /nfs/dbraw/zinc/14/39/59/1066143959.db2.gz CKSFFDIQYIQRQN-MAUKXSAKSA-N 0 0 451.405 4.676 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360983526 1066143928 /nfs/dbraw/zinc/14/39/28/1066143928.db2.gz CCIKDOPQAJMQLD-HXUWFJFHSA-N 0 0 462.038 4.719 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360983541 1066143935 /nfs/dbraw/zinc/14/39/35/1066143935.db2.gz COYLFYCZAXMLCG-NQIIRXRSSA-N 0 0 460.022 4.993 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1C(F)(F)F ZINC001360983777 1066144257 /nfs/dbraw/zinc/14/42/57/1066144257.db2.gz VCCQVGMVAXDRME-JKSUJKDBSA-N 0 0 454.514 4.760 20 0 JJADRN Cc1c([C@H](C)NC(=O)c2cc(Cl)cc(Br)c2N)cnn1-c1ccc(F)cc1 ZINC001442611395 1066144934 /nfs/dbraw/zinc/14/49/34/1066144934.db2.gz KFQXDUOKSIXLPM-JTQLQIEISA-N 0 0 451.727 4.809 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC2CCCC2)nnc1N1CCS[C@H](C)C1 ZINC001360984229 1066145254 /nfs/dbraw/zinc/14/52/54/1066145254.db2.gz PWOCKAQVUBIGSA-MRXNPFEDSA-N 0 0 462.063 4.943 20 0 JJADRN C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001442614046 1066145319 /nfs/dbraw/zinc/14/53/19/1066145319.db2.gz LGOSUWJAOYXUOK-SFHVURJKSA-N 0 0 450.970 4.833 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N(C)c1ccc(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001442616941 1066145341 /nfs/dbraw/zinc/14/53/41/1066145341.db2.gz RAMUTANTXLHXJM-IBGZPJMESA-N 0 0 458.555 4.721 20 0 JJADRN Cn1ccnc1Sc1ccccc1NC(=O)c1c(O)cnc2c(Br)cccc21 ZINC001442618351 1066145846 /nfs/dbraw/zinc/14/58/46/1066145846.db2.gz PRZIMTZVTUWKDL-UHFFFAOYSA-N 0 0 455.337 4.840 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001360984445 1066146218 /nfs/dbraw/zinc/14/62/18/1066146218.db2.gz XERRUQHQGVPCRC-UHFFFAOYSA-N 0 0 483.844 4.898 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360984367 1066146229 /nfs/dbraw/zinc/14/62/29/1066146229.db2.gz ULLPVGVFXDBKTN-RXVVDRJESA-N 0 0 455.647 4.863 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001360984718 1066146654 /nfs/dbraw/zinc/14/66/54/1066146654.db2.gz FYEAZKSUUPKQJW-HNNXBMFYSA-N 0 0 452.732 4.804 20 0 JJADRN CCSCc1cccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001360985188 1066147197 /nfs/dbraw/zinc/14/71/97/1066147197.db2.gz UGNTWQXBYZBTEP-UHFFFAOYSA-N 0 0 456.427 4.895 20 0 JJADRN COc1c(C)cnc(CNC(=O)c2cccc(OCc3ccccc3Br)c2)c1C ZINC001442654180 1066147569 /nfs/dbraw/zinc/14/75/69/1066147569.db2.gz HOUJKIMOUOAWDP-UHFFFAOYSA-N 0 0 455.352 4.979 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)C ZINC001360985553 1066147779 /nfs/dbraw/zinc/14/77/79/1066147779.db2.gz FCKXTFPAUZNBRQ-NRFANRHFSA-N 0 0 498.672 4.740 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360985569 1066147885 /nfs/dbraw/zinc/14/78/85/1066147885.db2.gz FRNGMVNTSSUIEP-GOSISDBHSA-N 0 0 466.630 4.967 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(C)(F)F ZINC001360985544 1066147896 /nfs/dbraw/zinc/14/78/96/1066147896.db2.gz DUBADWWVNAKVSU-UHFFFAOYSA-N 0 0 462.932 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001442659071 1066148202 /nfs/dbraw/zinc/14/82/02/1066148202.db2.gz MAVKDMGQKSANOS-HXUWFJFHSA-N 0 0 454.542 4.945 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001442659776 1066148207 /nfs/dbraw/zinc/14/82/07/1066148207.db2.gz VFYPWMPWELWSGW-SFHVURJKSA-N 0 0 456.011 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001442659066 1066148228 /nfs/dbraw/zinc/14/82/28/1066148228.db2.gz MAVKDMGQKSANOS-FQEVSTJZSA-N 0 0 454.542 4.945 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Cc1cccs1 ZINC001360985630 1066148566 /nfs/dbraw/zinc/14/85/66/1066148566.db2.gz HGUXNORKOCBWBX-GHTZIAJQSA-N 0 0 481.666 4.804 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)C ZINC001360985888 1066149067 /nfs/dbraw/zinc/14/90/67/1066149067.db2.gz NXYGAEQHOWMWTH-UHFFFAOYSA-N 0 0 473.419 4.774 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C ZINC001360985938 1066149623 /nfs/dbraw/zinc/14/96/23/1066149623.db2.gz PEEFVBRSSZYOCJ-TZIWHRDSSA-N 0 0 496.656 4.665 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442668681 1066149984 /nfs/dbraw/zinc/14/99/84/1066149984.db2.gz OXNQZABYHJCCHV-IBGZPJMESA-N 0 0 454.311 4.928 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1C[C@H](C)Cc1cccs1 ZINC001360986296 1066150876 /nfs/dbraw/zinc/15/08/76/1066150876.db2.gz ACXHQPKZHZFUTR-LJQANCHMSA-N 0 0 488.661 4.896 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H]1CCC(=O)N1 ZINC001360986325 1066151403 /nfs/dbraw/zinc/15/14/03/1066151403.db2.gz AUPGOBZNBOLTOQ-YQVWRLOYSA-N 0 0 471.989 4.757 20 0 JJADRN Cc1noc(C)c1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986329 1066151475 /nfs/dbraw/zinc/15/14/75/1066151475.db2.gz AXEFTNWAFXHSMV-AZUAARDMSA-N 0 0 474.005 4.761 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC001442698581 1066152586 /nfs/dbraw/zinc/15/25/86/1066152586.db2.gz VQNBWJWTAIXBQF-JOCHJYFZSA-N 0 0 452.530 4.792 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)O ZINC001360986531 1066152606 /nfs/dbraw/zinc/15/26/06/1066152606.db2.gz GBEQVJJWUZWASX-XLIONFOSSA-N 0 0 487.048 4.707 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001442708199 1066153595 /nfs/dbraw/zinc/15/35/95/1066153595.db2.gz LNLAZZJDCIMRBQ-WMZOPIPTSA-N 0 0 458.274 4.874 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001442708477 1066153665 /nfs/dbraw/zinc/15/36/65/1066153665.db2.gz MFYZFUXSBWTBPB-UHFFFAOYSA-N 0 0 454.458 4.940 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@H]1OCCC1(C)C ZINC001360986650 1066153688 /nfs/dbraw/zinc/15/36/88/1066153688.db2.gz JDZKHTOCQQFRQJ-YZGWKJHDSA-N 0 0 463.022 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)C2)n1Cc1ccn(C)n1 ZINC001360986705 1066154194 /nfs/dbraw/zinc/15/41/94/1066154194.db2.gz JZTFAUHHYICMAN-MUYFXNHWSA-N 0 0 460.985 4.654 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1(C)CCC1 ZINC001360986775 1066154645 /nfs/dbraw/zinc/15/46/45/1066154645.db2.gz LSNWPDDZSXKPQO-ROUUACIJSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCc1ccsc1 ZINC001360986749 1066154697 /nfs/dbraw/zinc/15/46/97/1066154697.db2.gz LEADVHCEBGLILX-DLBZAZTESA-N 0 0 476.046 4.693 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@@]1(O)CCSC1 ZINC001360986772 1066154708 /nfs/dbraw/zinc/15/47/08/1066154708.db2.gz LOGIKTDFQCKDRO-UUOWRZLLSA-N 0 0 488.057 4.588 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001442715046 1066154741 /nfs/dbraw/zinc/15/47/41/1066154741.db2.gz AVWDVEXSMWKPRM-SNVBAGLBSA-N 0 0 455.234 4.659 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1NC(=O)OC(C)(C)C ZINC001442720827 1066155332 /nfs/dbraw/zinc/15/53/32/1066155332.db2.gz HWEAXJFCWCJHGM-UHFFFAOYSA-N 0 0 457.958 4.594 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCCCC2)n1Cc1ccc(C(N)=O)nc1 ZINC001360986867 1066155507 /nfs/dbraw/zinc/15/55/07/1066155507.db2.gz NYKPUSZUGZTAAQ-SFHVURJKSA-N 0 0 497.043 4.999 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360986949 1066156030 /nfs/dbraw/zinc/15/60/30/1066156030.db2.gz PZHHVJCZMVHGRH-ZVDOUQERSA-N 0 0 487.048 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1(O)CC1 ZINC001360986928 1066156043 /nfs/dbraw/zinc/15/60/43/1066156043.db2.gz PQPZZMNGYXTXMK-HNNXBMFYSA-N 0 0 454.949 4.695 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3n[nH]c(-c4ccc(Br)cc4)n3)cs2)cc1 ZINC001442730080 1066156031 /nfs/dbraw/zinc/15/60/31/1066156031.db2.gz YFTIHNFUKKYFED-UHFFFAOYSA-N 0 0 454.353 4.842 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001360987018 1066156324 /nfs/dbraw/zinc/15/63/24/1066156324.db2.gz QXFZBRVTHHTZKP-OFVILXPXSA-N 0 0 481.666 4.683 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H]1CCCS1 ZINC001360987045 1066156325 /nfs/dbraw/zinc/15/63/25/1066156325.db2.gz REYBDPORZOAOEI-BHIYHBOVSA-N 0 0 451.036 4.809 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCCC2)n1CC(=O)NC(C)C ZINC001360987097 1066156950 /nfs/dbraw/zinc/15/69/50/1066156950.db2.gz SBOUBTAWYHGLNG-GOSISDBHSA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCCCC2)n1Cc1nncn1C ZINC001360987134 1066156959 /nfs/dbraw/zinc/15/69/59/1066156959.db2.gz SWMOVHKAIJCPCU-GOSISDBHSA-N 0 0 472.037 4.882 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccccn2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360987148 1066156974 /nfs/dbraw/zinc/15/69/74/1066156974.db2.gz TWQBHYYGGMRMIF-RDPSFJRHSA-N 0 0 490.652 4.551 20 0 JJADRN COc1ccc(CNC(=O)c2cc3c([nH]2)c(Br)ccc3OC)c(C(F)(F)F)c1 ZINC001442757003 1066157229 /nfs/dbraw/zinc/15/72/29/1066157229.db2.gz AVDSVIBCXOPPLL-UHFFFAOYSA-N 0 0 457.246 4.896 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360987158 1066157317 /nfs/dbraw/zinc/15/73/17/1066157317.db2.gz UANZUWBSRBBCPR-LZBANZJXSA-N 0 0 483.657 4.805 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1=CCCCC1 ZINC001360987170 1066157381 /nfs/dbraw/zinc/15/73/81/1066157381.db2.gz UIUMVSRFNMJQRS-GHTZIAJQSA-N 0 0 493.073 4.812 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)cc2)cc1 ZINC001442758130 1066157561 /nfs/dbraw/zinc/15/75/61/1066157561.db2.gz CBJRSJDVEJNENR-HXUWFJFHSA-N 0 0 451.567 4.620 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc(NC(=O)OC(C)(C)C)nn3C)cc2)cc1 ZINC001442762308 1066158220 /nfs/dbraw/zinc/15/82/20/1066158220.db2.gz KUMOMKRACVZITM-UHFFFAOYSA-N 0 0 450.495 4.547 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001545951758 1066158636 /nfs/dbraw/zinc/15/86/36/1066158636.db2.gz CCJPGQQSRSYZMQ-WOJBJXKFSA-N 0 0 457.619 4.938 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@](C)(O)C(C)C ZINC001360987504 1066158770 /nfs/dbraw/zinc/15/87/70/1066158770.db2.gz ZJSJZOMPPKLCCJ-HXOBKFHXSA-N 0 0 461.994 4.720 20 0 JJADRN CN(C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360988502 1066159059 /nfs/dbraw/zinc/15/90/59/1066159059.db2.gz HBVNEPDHBZXUSI-QFIPXVFZSA-N 0 0 454.448 4.560 20 0 JJADRN CC(C)c1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cnn1-c1cccc(Cl)c1 ZINC001360988920 1066159072 /nfs/dbraw/zinc/15/90/72/1066159072.db2.gz TWLMIGPJHYALBD-OAQYLSRUSA-N 0 0 454.933 4.666 20 0 JJADRN COc1cccc(COC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c1OC(F)F ZINC001360989085 1066159480 /nfs/dbraw/zinc/15/94/80/1066159480.db2.gz YDELNXVNVBTUMD-UHFFFAOYSA-N 0 0 459.367 4.799 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360989167 1066159495 /nfs/dbraw/zinc/15/94/95/1066159495.db2.gz ADRZOZHSBWPMGO-AEFFLSMTSA-N 0 0 496.002 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC2)n1CC[S@@](=O)C(C)(C)C ZINC001360989187 1066159505 /nfs/dbraw/zinc/15/95/05/1066159505.db2.gz AIRJDCVNQLNQNN-BJLXPSRBSA-N 0 0 453.052 4.836 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCC(=O)N(C)C ZINC001360989192 1066159790 /nfs/dbraw/zinc/15/97/90/1066159790.db2.gz AOTYGBBJILKCLS-LPHOPBHVSA-N 0 0 462.038 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCOC(C)(C)C)n1CC1(C)COC1 ZINC001360989231 1066160052 /nfs/dbraw/zinc/16/00/52/1066160052.db2.gz BDFRWKOGPVBTGY-GOSISDBHSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@H]1COCCO1 ZINC001360989445 1066161220 /nfs/dbraw/zinc/16/12/20/1066161220.db2.gz FIZAENSSXXJRGQ-BQBKMSKFSA-N 0 0 463.022 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCc1ccn(C)n1 ZINC001360989537 1066161861 /nfs/dbraw/zinc/16/18/61/1066161861.db2.gz GTCRYVVJZHUIPK-QFBILLFUSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360989622 1066162509 /nfs/dbraw/zinc/16/25/09/1066162509.db2.gz HVPVEDHGODCCKX-RCCFBDPRSA-N 0 0 496.002 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(C)C)n1CCC(=O)N(C)C ZINC001360989690 1066162551 /nfs/dbraw/zinc/16/25/51/1066162551.db2.gz JDSWCSZMYAVBTK-SFHVURJKSA-N 0 0 450.027 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@]1(C)CCCS1 ZINC001360989655 1066162831 /nfs/dbraw/zinc/16/28/31/1066162831.db2.gz IPYRDHCPPNZFCL-QZTZHPFYSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCCN1CCOCC1 ZINC001360989663 1066162841 /nfs/dbraw/zinc/16/28/41/1066162841.db2.gz IWKCNQHRHLDLDR-FCHUYYIVSA-N 0 0 490.092 4.893 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCC(C)(C)O ZINC001360989792 1066163846 /nfs/dbraw/zinc/16/38/46/1066163846.db2.gz KUTBGZMMEDFSET-UQBPGWFLSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCCN1CCOC1=O ZINC001360989834 1066164240 /nfs/dbraw/zinc/16/42/40/1066164240.db2.gz LJTADFMNGRHRKZ-ZYSHUDEJSA-N 0 0 476.021 4.765 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H]1CCCCS1 ZINC001360990002 1066164873 /nfs/dbraw/zinc/16/48/73/1066164873.db2.gz OMVBKTFZBXFWOG-VUMVONDWSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@]1(O)CCOC1 ZINC001360989993 1066164916 /nfs/dbraw/zinc/16/49/16/1066164916.db2.gz OIOWHDOSZLJSRP-FHAGJXEFSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(=O)N(C)C ZINC001360990053 1066165206 /nfs/dbraw/zinc/16/52/06/1066165206.db2.gz PILUWDGGSAMRHT-ROUUACIJSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(=O)N(C)C ZINC001360990051 1066165238 /nfs/dbraw/zinc/16/52/38/1066165238.db2.gz PILUWDGGSAMRHT-MSOLQXFVSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CC(C)C ZINC001360990111 1066165824 /nfs/dbraw/zinc/16/58/24/1066165824.db2.gz PXZLPOTVAHGGQZ-GOSISDBHSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C1CC1 ZINC001360990152 1066166257 /nfs/dbraw/zinc/16/62/57/1066166257.db2.gz QIKUEYVXLUAJBO-OAHLLOKOSA-N 0 0 499.965 4.918 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCc2cnccn2)n1CCc1ccccn1 ZINC001360990169 1066166284 /nfs/dbraw/zinc/16/62/84/1066166284.db2.gz QNPXNPVLAPBJDL-FQEVSTJZSA-N 0 0 492.027 4.795 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1CC1(O)CCCCC1 ZINC001360990316 1066167217 /nfs/dbraw/zinc/16/72/17/1066167217.db2.gz SUYUODZJUPEZOR-HXUWFJFHSA-N 0 0 487.048 4.716 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCCC(F)(F)F ZINC001360990307 1066167246 /nfs/dbraw/zinc/16/72/46/1066167246.db2.gz SROXWXNFRZLWFL-BTYIYWSLSA-N 0 0 487.954 4.733 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCn1cncn1 ZINC001360990291 1066167306 /nfs/dbraw/zinc/16/73/06/1066167306.db2.gz SEANUJRDBDZYPG-MOPGFXCFSA-N 0 0 472.037 4.852 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001360990538 1066167961 /nfs/dbraw/zinc/16/79/61/1066167961.db2.gz XAAALBKPJJRVIT-YYWVNILESA-N 0 0 477.049 4.711 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC1CC1 ZINC001360990628 1066168446 /nfs/dbraw/zinc/16/84/46/1066168446.db2.gz YJUSCIKQFOSIPT-WIYYLYMNSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360990646 1066168744 /nfs/dbraw/zinc/16/87/44/1066168744.db2.gz YTCURNDFTPJSPC-ZKCPLKSISA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CCOCC(F)F ZINC001360990766 1066168935 /nfs/dbraw/zinc/16/89/35/1066168935.db2.gz YYPSNQZONSEBCS-WSTZPKSXSA-N 0 0 499.002 4.975 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(C)C)n1C[C@H](C)N1CCOCC1 ZINC001360990843 1066169299 /nfs/dbraw/zinc/16/92/99/1066169299.db2.gz ZYTCPVZYWVRJAZ-LEWJYISDSA-N 0 0 478.081 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CCCOC(F)F ZINC001360991438 1066169792 /nfs/dbraw/zinc/16/97/92/1066169792.db2.gz CKXCNKYGDNPHFG-CQSZACIVSA-N 0 0 454.909 4.795 20 0 JJADRN COc1ccc(C)cc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001360991529 1066169994 /nfs/dbraw/zinc/16/99/94/1066169994.db2.gz TUOLRRZEFJOMSG-DEOSSOPVSA-N 0 0 457.979 4.509 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@@H]2OCc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001360991516 1066170002 /nfs/dbraw/zinc/17/00/02/1066170002.db2.gz SQLNSSSQWSBREI-LADGPHEKSA-N 0 0 455.963 4.611 20 0 JJADRN COc1ccc(/C=C\C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360991558 1066170013 /nfs/dbraw/zinc/17/00/13/1066170013.db2.gz UPAZRAHDRYDJLT-UIKCENPXSA-N 0 0 455.963 4.671 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCOCC(F)F ZINC001360991626 1066170239 /nfs/dbraw/zinc/17/02/39/1066170239.db2.gz DLXNSIOEDRQRCM-INMHGKMJSA-N 0 0 460.928 4.764 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1[C@@H]1C[C@H]1C ZINC001360991652 1066170256 /nfs/dbraw/zinc/17/02/56/1066170256.db2.gz DQZOFWRFVZIGHP-XFQXTVEOSA-N 0 0 474.049 4.964 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CCC1(O)CCC1 ZINC001360991989 1066170761 /nfs/dbraw/zinc/17/07/61/1066170761.db2.gz IAOZRXNTDUYWLR-KRWDZBQOSA-N 0 0 451.036 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCNC(=O)C2)n1CC(C)(C)c1cccs1 ZINC001360991858 1066170787 /nfs/dbraw/zinc/17/07/87/1066170787.db2.gz FZNXRENFDAXTFH-KRWDZBQOSA-N 0 0 488.057 4.664 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C1CC1 ZINC001360992003 1066171021 /nfs/dbraw/zinc/17/10/21/1066171021.db2.gz IISYLAQIAFQGEP-MSOLQXFVSA-N 0 0 460.022 4.716 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360992316 1066171540 /nfs/dbraw/zinc/17/15/40/1066171540.db2.gz MTDUOJNKALNPCS-DFQSSKMNSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360992319 1066171551 /nfs/dbraw/zinc/17/15/51/1066171551.db2.gz MTDUOJNKALNPCS-SXLOBPIMSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CC1(O)CCCC1 ZINC001360992890 1066172541 /nfs/dbraw/zinc/17/25/41/1066172541.db2.gz VSVUTTVASGLRLX-QGZVFWFLSA-N 0 0 451.036 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC1(C)CC1 ZINC001360993055 1066172886 /nfs/dbraw/zinc/17/28/86/1066172886.db2.gz XQLABEBFSQLKHH-LJQANCHMSA-N 0 0 474.049 4.793 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccccc3C)CC2)c(C)o1 ZINC001360994686 1066173842 /nfs/dbraw/zinc/17/38/42/1066173842.db2.gz WVLSVDYXFBYRKN-HXUWFJFHSA-N 0 0 493.652 4.960 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[C@@H]3C)CC2)c(C)o1 ZINC001360995136 1066174233 /nfs/dbraw/zinc/17/42/33/1066174233.db2.gz NOKJZLALOHQMFT-PXNSSMCTSA-N 0 0 455.647 4.912 20 0 JJADRN Cc1cc([C@H](NC(=O)CSc2nnnn2C2CCCC2)c2ccccc2Cl)ccc1F ZINC001360995351 1066174334 /nfs/dbraw/zinc/17/43/34/1066174334.db2.gz CLYBIEVSZJROTF-NRFANRHFSA-N 0 0 459.978 4.887 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCC(C)C)CC2)no1 ZINC001360995441 1066174540 /nfs/dbraw/zinc/17/45/40/1066174540.db2.gz WIXQXVWFIJERIP-LJQANCHMSA-N 0 0 498.603 4.689 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)CC2)c(C)o1 ZINC001360995479 1066174554 /nfs/dbraw/zinc/17/45/54/1066174554.db2.gz YBMIUJLMQBOCBY-UHFFFAOYSA-N 0 0 497.615 4.693 20 0 JJADRN Cc1cc([C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995801 1066174826 /nfs/dbraw/zinc/17/48/26/1066174826.db2.gz POQJOQVALFIJFO-DQEYMECFSA-N 0 0 452.957 4.894 20 0 JJADRN Cc1cc([C@H](NC(=O)CCN2C(=O)COc3ccccc32)c2ccccc2Cl)ccc1F ZINC001360995967 1066174841 /nfs/dbraw/zinc/17/48/41/1066174841.db2.gz WVACDVFDCOJFHL-VWLOTQADSA-N 0 0 452.913 4.809 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000029418093 1066175202 /nfs/dbraw/zinc/17/52/02/1066175202.db2.gz QQPLHULUQCWREY-IYBDPMFKSA-N 0 0 482.631 4.756 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H]2C)c(C)o1 ZINC001360997235 1066175636 /nfs/dbraw/zinc/17/56/36/1066175636.db2.gz DCEAPOUYINEQEG-PEBXRYMYSA-N 0 0 459.388 4.814 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H]2CCCCO2)c(C)o1 ZINC001360997385 1066176154 /nfs/dbraw/zinc/17/61/54/1066176154.db2.gz GVHFAUNWNPAGIQ-NDIWIEOSSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cccs2)c(C)o1 ZINC001360997713 1066176635 /nfs/dbraw/zinc/17/66/35/1066176635.db2.gz NAVVLUPZTYIIKQ-SANMLTNESA-N 0 0 493.633 4.963 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCC[C@H](C)C2)c(C)o1 ZINC001360998001 1066177044 /nfs/dbraw/zinc/17/70/44/1066177044.db2.gz SFDMOPARUJITKQ-CBZJRKILSA-N 0 0 479.625 4.891 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCC[C@H](C)C2)c(C)o1 ZINC001360998003 1066177049 /nfs/dbraw/zinc/17/70/49/1066177049.db2.gz SFDMOPARUJITKQ-SOKVYYICSA-N 0 0 479.625 4.891 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC001360998045 1066177056 /nfs/dbraw/zinc/17/70/56/1066177056.db2.gz SVVZKLXBTWMLHM-LAMIGIBBSA-N 0 0 489.016 4.803 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)OC2CCCC2)c(C)o1 ZINC001360998180 1066177315 /nfs/dbraw/zinc/17/73/15/1066177315.db2.gz WNGCBYUFXIHLRQ-IQGLISFBSA-N 0 0 472.561 4.985 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)Oc1ccccc1C ZINC001360999540 1066178169 /nfs/dbraw/zinc/17/81/69/1066178169.db2.gz NDLOUWHROVWMQK-QNWVGRARSA-N 0 0 452.595 4.751 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccn3)nnc2N(C)CCc2ccc(Cl)cc2)c(C)o1 ZINC001361000192 1066178609 /nfs/dbraw/zinc/17/86/09/1066178609.db2.gz SFFPYHWIHZRLMY-RUZDIDTESA-N 0 0 465.985 4.790 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(C)nc3onc(C)c32)cc1OC ZINC001361000353 1066178617 /nfs/dbraw/zinc/17/86/17/1066178617.db2.gz YQJGBYZSEVORGS-UHFFFAOYSA-N 0 0 451.548 4.803 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000673 1066178822 /nfs/dbraw/zinc/17/88/22/1066178822.db2.gz XWAQZMHCXAHYEQ-KBMIEXCESA-N 0 0 490.551 4.527 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)c(C)o1 ZINC001361000648 1066178824 /nfs/dbraw/zinc/17/88/24/1066178824.db2.gz XLTHJOJARSUMEV-NDEPHWFRSA-N 0 0 499.700 4.603 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCCC[C@H](C)C2)c(C)o1 ZINC001361002365 1066179223 /nfs/dbraw/zinc/17/92/23/1066179223.db2.gz DBDHMPZLDHKDFO-SSOJOUAXSA-N 0 0 456.562 4.740 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC001361002381 1066179227 /nfs/dbraw/zinc/17/92/27/1066179227.db2.gz DGYVUOBQLVPXSQ-XOWTYJCDSA-N 0 0 456.562 4.596 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(C)o1 ZINC001361002171 1066179231 /nfs/dbraw/zinc/17/92/31/1066179231.db2.gz BGYHZDHVHPYUPQ-QLXKLKPCSA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2F)c(C)o1 ZINC001361002391 1066179556 /nfs/dbraw/zinc/17/95/56/1066179556.db2.gz DJIMKFNSDARJRV-VWLOTQADSA-N 0 0 468.598 4.866 20 0 JJADRN 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Cc1nc(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@]2(C)CCCS2)cs1 ZINC001361014270 1066200575 /nfs/dbraw/zinc/20/05/75/1066200575.db2.gz LKXLVTYRAHMUSC-RUZDIDTESA-N 0 0 498.722 4.920 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccc[nH]3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361014525 1066201152 /nfs/dbraw/zinc/20/11/52/1066201152.db2.gz FBLLOYKTJXUGJE-QHCPKHFHSA-N 0 0 461.532 4.662 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cccc(C)n3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001361014685 1066201797 /nfs/dbraw/zinc/20/17/97/1066201797.db2.gz GSSQSYXCTUWLLV-FQEVSTJZSA-N 0 0 472.559 4.581 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2CC(F)(F)C2)c(C)c1 ZINC001361014896 1066202233 /nfs/dbraw/zinc/20/22/33/1066202233.db2.gz WCANUBWDHKCNLM-UHFFFAOYSA-N 0 0 468.552 4.694 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC2(F)CCC2)c(C)c1 ZINC001361014848 1066202312 /nfs/dbraw/zinc/20/23/12/1066202312.db2.gz UMTLSKWAVZGXRA-UHFFFAOYSA-N 0 0 464.589 4.546 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)s1 ZINC001361016231 1066203728 /nfs/dbraw/zinc/20/37/28/1066203728.db2.gz IZHMJKCXLWNHAR-HXUWFJFHSA-N 0 0 459.955 4.754 20 0 JJADRN O=C(CCOc1ccc2ccccc2c1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015814 1066203858 /nfs/dbraw/zinc/20/38/58/1066203858.db2.gz AHPDOIJVPIWAPD-HHHXNRCGSA-N 0 0 452.554 4.653 20 0 JJADRN O=C(CCc1ccc(F)c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016323 1066204464 /nfs/dbraw/zinc/20/44/64/1066204464.db2.gz LUTRTIGCHVWLAZ-MHZLTWQESA-N 0 0 454.545 4.955 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CCc3cc(C)cc(C)c3)CC2)cs1 ZINC001361017205 1066205517 /nfs/dbraw/zinc/20/55/17/1066205517.db2.gz MDIWXMBIXSXSSZ-UHFFFAOYSA-N 0 0 452.672 4.522 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2Cc2nccn2C(F)F)c1 ZINC001361018818 1066208710 /nfs/dbraw/zinc/20/87/10/1066208710.db2.gz SUYOKHNOSRZCPV-QGZVFWFLSA-N 0 0 456.497 4.904 20 0 JJADRN C[C@@H]1CSCCN1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC001361019997 1066209894 /nfs/dbraw/zinc/20/98/94/1066209894.db2.gz MPMNCESIMOEZPA-CQSZACIVSA-N 0 0 452.548 4.596 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC001361019863 1066210009 /nfs/dbraw/zinc/21/00/09/1066210009.db2.gz JUEXSTYPLDJBBN-IBGZPJMESA-N 0 0 457.958 4.637 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCSC1 ZINC001361020891 1066212305 /nfs/dbraw/zinc/21/23/05/1066212305.db2.gz LRBCASXBFVECHY-HXUWFJFHSA-N 0 0 455.628 4.858 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(C)C)n2CCN2CCc3sccc3C2)c1 ZINC001361021075 1066212910 /nfs/dbraw/zinc/21/29/10/1066212910.db2.gz QCJJDKIGELPFFK-UHFFFAOYSA-N 0 0 453.656 4.686 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CCOCC1 ZINC001361022093 1066216323 /nfs/dbraw/zinc/21/63/23/1066216323.db2.gz GAUQADZOLXHLPL-UHFFFAOYSA-N 0 0 454.640 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361022222 1066216864 /nfs/dbraw/zinc/21/68/64/1066216864.db2.gz JJXWKHUQCIOKEN-UHFFFAOYSA-N 0 0 456.541 4.876 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@H](C)c2nccs2)c1 ZINC001361022343 1066217506 /nfs/dbraw/zinc/21/75/06/1066217506.db2.gz NMAZCQMMHLKEEJ-FQEVSTJZSA-N 0 0 469.655 4.987 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CCC(=O)N2CCCCC2)c1 ZINC001361022504 1066217770 /nfs/dbraw/zinc/21/77/70/1066217770.db2.gz SMBYAEGHAPQPSB-QHCPKHFHSA-N 0 0 465.642 4.669 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361022549 1066217783 /nfs/dbraw/zinc/21/77/83/1066217783.db2.gz UTGBNQBOFGFWQK-UHFFFAOYSA-N 0 0 454.537 4.925 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CCCCC2)n1 ZINC001361022594 1066218615 /nfs/dbraw/zinc/21/86/15/1066218615.db2.gz VYJJOGAUKAGVJW-UHFFFAOYSA-N 0 0 452.603 4.815 20 0 JJADRN Cc1c2cccc(F)c2oc1C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023220 1066219414 /nfs/dbraw/zinc/21/94/14/1066219414.db2.gz IITVDKOCDPLHQL-OAQYLSRUSA-N 0 0 455.482 4.942 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC[C@H]3C)n2CC(=O)NC2CCCCC2)c1 ZINC001361023565 1066220127 /nfs/dbraw/zinc/22/01/27/1066220127.db2.gz AYHPCFJFRWZDBA-GHTZIAJQSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2ccncc2Cl)c1 ZINC001361024279 1066221736 /nfs/dbraw/zinc/22/17/36/1066221736.db2.gz KJJWVULXRMAYGP-OXQOHEQNSA-N 0 0 495.933 4.727 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[C@H]2CCCCO2)c1 ZINC001361024725 1066222539 /nfs/dbraw/zinc/22/25/39/1066222539.db2.gz PHLXROSCAFFMLL-OAQYLSRUSA-N 0 0 456.631 4.827 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C1(CC)CC ZINC001361024919 1066223168 /nfs/dbraw/zinc/22/31/68/1066223168.db2.gz ZZACAINJRVAQNW-VQTJNVASSA-N 0 0 454.596 4.719 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361025010 1066223185 /nfs/dbraw/zinc/22/31/85/1066223185.db2.gz UJZPEBIMDZGHMD-UHFFFAOYSA-N 0 0 497.684 4.660 20 0 JJADRN COc1c(Cl)cc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC001442798105 1066223210 /nfs/dbraw/zinc/22/32/10/1066223210.db2.gz LPSXFVLREQKTSH-UHFFFAOYSA-N 0 0 451.697 4.950 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2ccc(C)cc2)O1 ZINC001546056219 1066223257 /nfs/dbraw/zinc/22/32/57/1066223257.db2.gz CIZZELGGUAHGIH-NTKDMRAZSA-N 0 0 453.612 4.694 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361024949 1066223483 /nfs/dbraw/zinc/22/34/83/1066223483.db2.gz RTXBQGKMQNPHMD-ZRZAMGCNSA-N 0 0 467.658 4.749 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)C2)c(O)cc1Cl ZINC001453944781 1066223808 /nfs/dbraw/zinc/22/38/08/1066223808.db2.gz LSFKFYCIKMYTTL-MRXNPFEDSA-N 0 0 457.357 4.847 20 0 JJADRN C[C@@H](CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2)c1c(Cl)cccc1Cl ZINC001442802247 1066224240 /nfs/dbraw/zinc/22/42/40/1066224240.db2.gz WADSTFGFTZMJTE-LBPRGKRZSA-N 0 0 453.370 4.543 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)c3cc(Br)cc(N4CCCC4)c3)co2)cc1 ZINC001442805736 1066224709 /nfs/dbraw/zinc/22/47/09/1066224709.db2.gz AOYSBAKDHRUMBB-UHFFFAOYSA-N 0 0 454.368 4.985 20 0 JJADRN O=C(CCCn1c(=O)oc2ccccc21)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361026036 1066225258 /nfs/dbraw/zinc/22/52/58/1066225258.db2.gz WKUHLQUYBOCNQC-UHFFFAOYSA-N 0 0 457.368 4.765 20 0 JJADRN Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c1O ZINC001442807167 1066225313 /nfs/dbraw/zinc/22/53/13/1066225313.db2.gz XDOMGMACRTUKDH-IBGZPJMESA-N 0 0 457.299 4.712 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001453958152 1066225329 /nfs/dbraw/zinc/22/53/29/1066225329.db2.gz ZEIRIFSHQDYMSP-UHFFFAOYSA-N 0 0 452.923 4.579 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(OC)cc(Br)c1N ZINC001453958419 1066225421 /nfs/dbraw/zinc/22/54/21/1066225421.db2.gz ZWLIPPAXSCWBEH-CYBMUJFWSA-N 0 0 456.178 4.554 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001453955412 1066225477 /nfs/dbraw/zinc/22/54/77/1066225477.db2.gz AJYUCZHRUIXIPR-UHFFFAOYSA-N 0 0 451.405 4.929 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361026442 1066225969 /nfs/dbraw/zinc/22/59/69/1066225969.db2.gz BVYKICZVULYUEN-VQTJNVASSA-N 0 0 469.630 4.576 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001453965748 1066226123 /nfs/dbraw/zinc/22/61/23/1066226123.db2.gz NKXIKXBNSLPBHT-DLBZAZTESA-N 0 0 457.434 4.691 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC001442812276 1066226333 /nfs/dbraw/zinc/22/63/33/1066226333.db2.gz KUWGABXCXZNKQE-FXAWDEMLSA-N 0 0 456.539 4.503 20 0 JJADRN CC(C)(CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)[C@@]1(O)CCCOC1 ZINC001453964635 1066226347 /nfs/dbraw/zinc/22/63/47/1066226347.db2.gz WWXAOXOTIGMTIG-HSZRJFAPSA-N 0 0 450.362 4.522 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC([C@@H]4CCCO4)CC3)n2CCCOC(F)(F)F)c1 ZINC001361026454 1066226683 /nfs/dbraw/zinc/22/66/83/1066226683.db2.gz CACBESNECZZBEO-NRFANRHFSA-N 0 0 482.547 4.796 20 0 JJADRN CC1(C)CCC(O)(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC001453969375 1066226758 /nfs/dbraw/zinc/22/67/58/1066226758.db2.gz PCHUBLWIWLARMH-UHFFFAOYSA-N 0 0 459.384 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCC2(O)CCC(C)(C)CC2)CC1 ZINC001453966756 1066226807 /nfs/dbraw/zinc/22/68/07/1066226807.db2.gz HJMJKGDOWFADAQ-UHFFFAOYSA-N 0 0 458.643 4.937 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N1CCC(Oc2cccc(F)c2)CC1 ZINC001453966949 1066226933 /nfs/dbraw/zinc/22/69/33/1066226933.db2.gz CTRGRYQJPIZCEB-UHFFFAOYSA-N 0 0 459.686 4.767 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)OC ZINC001545952136 1066226973 /nfs/dbraw/zinc/22/69/73/1066226973.db2.gz HXRTXHQGBLFMMZ-WDYCEAGBSA-N 0 0 474.499 4.530 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc(C(F)(F)F)n1 ZINC001442817402 1066227114 /nfs/dbraw/zinc/22/71/14/1066227114.db2.gz SMUMOCVRPLCEDN-ZDUSSCGKSA-N 0 0 451.836 4.527 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361026862 1066227432 /nfs/dbraw/zinc/22/74/32/1066227432.db2.gz IFNABVXZYKXYPJ-QHAWAJNXSA-N 0 0 471.646 4.869 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC001453970116 1066227583 /nfs/dbraw/zinc/22/75/83/1066227583.db2.gz IATFHJOJMUNQBD-AZUAARDMSA-N 0 0 460.619 4.592 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@@H](CC)Oc1ccccc1F ZINC001545952202 1066227811 /nfs/dbraw/zinc/22/78/11/1066227811.db2.gz IPDOQZRICIPMMR-STZQEDGTSA-N 0 0 483.636 4.913 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)/C=C/c2ccccc2O[C@H](C)CC)c(F)cc1F ZINC001442830967 1066228387 /nfs/dbraw/zinc/22/83/87/1066228387.db2.gz ALWPUZFJFJSVOT-AUECHBEKSA-N 0 0 452.523 4.946 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)Oc1cccc(F)c1 ZINC001545952234 1066228473 /nfs/dbraw/zinc/22/84/73/1066228473.db2.gz JBRINEBDZWCCDV-HFSMHLIXSA-N 0 0 470.593 4.939 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545952215 1066228600 /nfs/dbraw/zinc/22/86/00/1066228600.db2.gz ITNONLOIEDNPAF-RTWAWAEBSA-N 0 0 470.662 4.812 20 0 JJADRN COc1cc(CCNC(=O)[C@H](O)C2CCCCCCC2)cc(OC)c1OCc1ccccc1 ZINC001453977533 1066228603 /nfs/dbraw/zinc/22/86/03/1066228603.db2.gz WFECBGBFRJNWAE-RUZDIDTESA-N 0 0 455.595 4.663 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@@H](C(C)C)C2)O1 ZINC001546056546 1066228623 /nfs/dbraw/zinc/22/86/23/1066228623.db2.gz HCCVPDXZBZDVPW-SGIRGMQISA-N 0 0 474.671 4.791 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2Cc2cccs2)c1 ZINC001361027299 1066228840 /nfs/dbraw/zinc/22/88/40/1066228840.db2.gz ATWZSANHBPDSLC-NRFANRHFSA-N 0 0 495.693 4.961 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361027413 1066229620 /nfs/dbraw/zinc/22/96/20/1066229620.db2.gz NTLCIOYHUPGQJL-SLFFLAALSA-N 0 0 465.564 4.593 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)c2ccccc2)c1 ZINC001361027453 1066229649 /nfs/dbraw/zinc/22/96/49/1066229649.db2.gz RTRYYRSCPNJOEG-FQEVSTJZSA-N 0 0 451.441 4.767 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361027420 1066229693 /nfs/dbraw/zinc/22/96/93/1066229693.db2.gz NTLCIOYHUPGQJL-ZCNNSNEGSA-N 0 0 465.564 4.593 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(Br)cc(N)c1N ZINC001442839970 1066230075 /nfs/dbraw/zinc/23/00/75/1066230075.db2.gz PTNJEWAIDYFAOH-UHFFFAOYSA-N 0 0 457.372 4.754 20 0 JJADRN CCc1ccc([C@@H](NC(=O)Cc2ccc3cnccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027565 1066230482 /nfs/dbraw/zinc/23/04/82/1066230482.db2.gz SHQCVISKQQQGFS-HHHXNRCGSA-N 0 0 458.583 4.649 20 0 JJADRN CC(C)(CNC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1)CC(F)(F)F ZINC001453990508 1066230629 /nfs/dbraw/zinc/23/06/29/1066230629.db2.gz UBEWRMSAKWITJQ-SNVBAGLBSA-N 0 0 455.262 4.798 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001442849729 1066231477 /nfs/dbraw/zinc/23/14/77/1066231477.db2.gz IXVXKTVIZBAODA-GOSISDBHSA-N 0 0 450.560 4.719 20 0 JJADRN C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001442854321 1066231556 /nfs/dbraw/zinc/23/15/56/1066231556.db2.gz MDQVWEBSZHDQEZ-INIZCTEOSA-N 0 0 453.336 4.849 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361028094 1066231873 /nfs/dbraw/zinc/23/18/73/1066231873.db2.gz GJLOSERWXHXTEX-UHFFFAOYSA-N 0 0 497.562 4.777 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361028471 1066233117 /nfs/dbraw/zinc/23/31/17/1066233117.db2.gz JSFHPSINCJHIER-QFIPXVFZSA-N 0 0 450.631 4.713 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545952408 1066233195 /nfs/dbraw/zinc/23/31/95/1066233195.db2.gz KYEJMFWQGYJFOH-PKOBYXMFSA-N 0 0 494.036 4.554 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCOC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028525 1066233313 /nfs/dbraw/zinc/23/33/13/1066233313.db2.gz KETVUQDRTBPXTD-RLWLMLJZSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCO[C@H]2CCOC2)c1 ZINC001361028501 1066233424 /nfs/dbraw/zinc/23/34/24/1066233424.db2.gz JZUXZSJCFWTLMV-VXKWHMMOSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(C)C)CC3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361028600 1066234122 /nfs/dbraw/zinc/23/41/22/1066234122.db2.gz MGJKNTPBLKPFRF-UHFFFAOYSA-N 0 0 481.685 4.995 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC001442870483 1066234645 /nfs/dbraw/zinc/23/46/45/1066234645.db2.gz CKPURJYSAQBOHJ-UHFFFAOYSA-N 0 0 452.523 4.957 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361028817 1066234699 /nfs/dbraw/zinc/23/46/99/1066234699.db2.gz RZFWHGKDGVDLIU-BGYRXZFFSA-N 0 0 489.686 4.671 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCOc2ccc(Cl)cn2)c1 ZINC001361029010 1066235555 /nfs/dbraw/zinc/23/55/55/1066235555.db2.gz XBWIXWPLUSQDRM-IBGZPJMESA-N 0 0 486.016 4.605 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC001361029045 1066236004 /nfs/dbraw/zinc/23/60/04/1066236004.db2.gz XRYROTGKWGHIOT-HRFSGMKKSA-N 0 0 482.625 4.595 20 0 JJADRN CCCCOCCN(C(=O)[C@H](C)Cc1c(C)nn(C)c1C)c1ccc(Br)cc1 ZINC001361029748 1066237375 /nfs/dbraw/zinc/23/73/75/1066237375.db2.gz BRAFXGWMGKTSMB-MRXNPFEDSA-N 0 0 450.421 4.828 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)ccc1Br ZINC001361029651 1066237420 /nfs/dbraw/zinc/23/74/20/1066237420.db2.gz PYKHJJCGVGKGEY-UHFFFAOYSA-N 0 0 458.743 4.841 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)O1 ZINC001546056773 1066237373 /nfs/dbraw/zinc/23/73/73/1066237373.db2.gz JQVNXPMKKYDOFT-MCQPEXAWSA-N 0 0 497.684 4.559 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)O1 ZINC001546056819 1066237439 /nfs/dbraw/zinc/23/74/39/1066237439.db2.gz KDJZENDOMXUPQL-QFQXNSOFSA-N 0 0 475.678 4.662 20 0 JJADRN CO[C@H](CNC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C)C1CCCC1 ZINC001454029059 1066237476 /nfs/dbraw/zinc/23/74/76/1066237476.db2.gz JELSDCZOHBCYNF-GOSISDBHSA-N 0 0 451.633 4.501 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C1 ZINC001361030854 1066238646 /nfs/dbraw/zinc/23/86/46/1066238646.db2.gz ZFMSNPXYJATVFY-CQOQZXRMSA-N 0 0 464.606 4.737 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001361030931 1066238661 /nfs/dbraw/zinc/23/86/61/1066238661.db2.gz BETXPJYQCGZTBT-VXKWHMMOSA-N 0 0 456.631 4.683 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCc2ccncc2)c1 ZINC001361030911 1066238891 /nfs/dbraw/zinc/23/88/91/1066238891.db2.gz ASILBGRXRHAQRW-HXUWFJFHSA-N 0 0 459.516 4.890 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001442912847 1066239435 /nfs/dbraw/zinc/23/94/35/1066239435.db2.gz YIXSDQNYGSDVEG-MRXNPFEDSA-N 0 0 453.421 4.972 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC2(O)CCCCC2)c1 ZINC001361031035 1066239470 /nfs/dbraw/zinc/23/94/70/1066239470.db2.gz FYCKIFQCJJSDEB-UHFFFAOYSA-N 0 0 470.658 4.953 20 0 JJADRN O=C(N1CCOc2cc(Br)ccc2C1)C1(c2cccc(Br)c2)CC1 ZINC001454044967 1066240119 /nfs/dbraw/zinc/24/01/19/1066240119.db2.gz HBAUZBPUWPSBCH-UHFFFAOYSA-N 0 0 451.158 4.664 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031151 1066240344 /nfs/dbraw/zinc/24/03/44/1066240344.db2.gz JBQQODROPMQDRB-OAQYLSRUSA-N 0 0 467.658 4.795 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2OC(F)F)CC1)c1ccccc1 ZINC001442919602 1066240926 /nfs/dbraw/zinc/24/09/26/1066240926.db2.gz GAEZBRWDBSCAET-GOSISDBHSA-N 0 0 450.913 4.856 20 0 JJADRN COc1cc(CNC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC ZINC001442925990 1066241665 /nfs/dbraw/zinc/24/16/65/1066241665.db2.gz RJRCDBGFVIOKSA-LBPRGKRZSA-N 0 0 454.748 4.645 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546057717 1066243233 /nfs/dbraw/zinc/24/32/33/1066243233.db2.gz WMBOQTCHIVRPEM-OPNQQPSUSA-N 0 0 478.584 4.941 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001454073180 1066243385 /nfs/dbraw/zinc/24/33/85/1066243385.db2.gz XACKAVCGRKDORH-QYBDOPJKSA-N 0 0 451.567 4.958 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc4[nH]c(C(F)F)nc43)cc2)cc1 ZINC001442938249 1066243748 /nfs/dbraw/zinc/24/37/48/1066243748.db2.gz XCGOSAXPIAEEKL-UHFFFAOYSA-N 0 0 457.458 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC2(O)CCCC2)c1 ZINC001361031783 1066243805 /nfs/dbraw/zinc/24/38/05/1066243805.db2.gz ARNCQGIQKOWHFG-OAQYLSRUSA-N 0 0 456.631 4.563 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546057737 1066244019 /nfs/dbraw/zinc/24/40/19/1066244019.db2.gz WUAXGUKASVENRJ-POGFHVCPSA-N 0 0 456.631 4.684 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)on1 ZINC001454090587 1066244054 /nfs/dbraw/zinc/24/40/54/1066244054.db2.gz LKZZILJKURDWRF-OAQYLSRUSA-N 0 0 457.571 4.830 20 0 JJADRN Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)c(C)n1[C@H]1CCCOC1 ZINC001442942145 1066244392 /nfs/dbraw/zinc/24/43/92/1066244392.db2.gz QBMKTVLSZLPOST-INIZCTEOSA-N 0 0 457.315 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@@H]3CCCOc4ccccc43)cs2)CC1 ZINC001442944246 1066244588 /nfs/dbraw/zinc/24/45/88/1066244588.db2.gz UZQGWECAHMNZQD-GOSISDBHSA-N 0 0 457.596 4.901 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546057811 1066244649 /nfs/dbraw/zinc/24/46/49/1066244649.db2.gz XMFJMKUTBNWNNS-PXDATVDWSA-N 0 0 458.672 4.751 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccsc2)CC1)Oc1cccc(F)c1 ZINC001545952839 1066245187 /nfs/dbraw/zinc/24/51/87/1066245187.db2.gz PGLPUMDQIZWIMT-GHTZIAJQSA-N 0 0 485.629 4.812 20 0 JJADRN C[C@H](O)[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC001454105585 1066245403 /nfs/dbraw/zinc/24/54/03/1066245403.db2.gz RJLFADPYOXTOQO-UQBPGWFLSA-N 0 0 454.636 4.860 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3O)cc2)c1 ZINC001454104384 1066245444 /nfs/dbraw/zinc/24/54/44/1066245444.db2.gz MKWXGWRFNKMITM-UHFFFAOYSA-N 0 0 458.474 4.945 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2nccs2)c1 ZINC001361032314 1066245695 /nfs/dbraw/zinc/24/56/95/1066245695.db2.gz QKHWTCYHYMKASI-QGZVFWFLSA-N 0 0 481.544 4.526 20 0 JJADRN COc1cc(CCCNC(=O)Cn2c3ccccc3nc2C2CCCCC2)cc(OC)c1O ZINC001454102147 1066245649 /nfs/dbraw/zinc/24/56/49/1066245649.db2.gz IAJWSMPYDFCFFX-UHFFFAOYSA-N 0 0 451.567 4.556 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H](O)c1ccc(Cl)cc1 ZINC001454109836 1066246006 /nfs/dbraw/zinc/24/60/06/1066246006.db2.gz RGSMDGODYKWRJC-MOPGFXCFSA-N 0 0 453.757 4.716 20 0 JJADRN Cc1noc([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(C)C)C2)n1 ZINC001361032398 1066246144 /nfs/dbraw/zinc/24/61/44/1066246144.db2.gz RDPDQDPGUITMBJ-NRFANRHFSA-N 0 0 452.603 4.986 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC001442959729 1066246334 /nfs/dbraw/zinc/24/63/34/1066246334.db2.gz OXNZLZPMQZEOLK-OAQYLSRUSA-N 0 0 459.546 4.700 20 0 JJADRN CC1(C)CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001442959933 1066246385 /nfs/dbraw/zinc/24/63/85/1066246385.db2.gz PTODIGXMWQYCFC-UHFFFAOYSA-N 0 0 455.407 4.985 20 0 JJADRN CC(C)[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H](O)c1ccc(Cl)cc1 ZINC001454109844 1066246217 /nfs/dbraw/zinc/24/62/17/1066246217.db2.gz RGSMDGODYKWRJC-RBUKOAKNSA-N 0 0 453.757 4.716 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001454109518 1066246299 /nfs/dbraw/zinc/24/62/99/1066246299.db2.gz QOXKXOXVCZAJLH-PKOBYXMFSA-N 0 0 450.764 4.547 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361032604 1066246709 /nfs/dbraw/zinc/24/67/09/1066246709.db2.gz SNWQUBDPESWTNB-QFIPXVFZSA-N 0 0 469.674 4.899 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3ccco3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361032611 1066246937 /nfs/dbraw/zinc/24/69/37/1066246937.db2.gz SPHBMBNKAJMTOP-OAQYLSRUSA-N 0 0 465.598 4.571 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CCC1 ZINC001442964970 1066246799 /nfs/dbraw/zinc/24/67/99/1066246799.db2.gz GGZBYLMPKUOGCA-UHFFFAOYSA-N 0 0 455.530 4.951 20 0 JJADRN Nc1c(Cl)ccc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1Cl ZINC001442963077 1066247109 /nfs/dbraw/zinc/24/71/09/1066247109.db2.gz DHERLRFVUYXJGG-UHFFFAOYSA-N 0 0 453.333 4.724 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC(C)(F)F)c1 ZINC001361032801 1066247571 /nfs/dbraw/zinc/24/75/71/1066247571.db2.gz UYDSAFUWCJNPJS-IBGZPJMESA-N 0 0 477.600 4.650 20 0 JJADRN CC(C)(C)n1c(NC(=O)c2ccnc(Cl)c2I)nc2ccccc21 ZINC001442967025 1066247541 /nfs/dbraw/zinc/24/75/41/1066247541.db2.gz MTEREHOLVXJZGU-UHFFFAOYSA-N 0 0 454.699 4.697 20 0 JJADRN CCc1ccc([C@H](NC(=O)Cc2ccc3cccnc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361032979 1066248361 /nfs/dbraw/zinc/24/83/61/1066248361.db2.gz KILYNKDRMSSQFZ-MHZLTWQESA-N 0 0 458.583 4.649 20 0 JJADRN C[C@@H](N1CCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1)C(F)(F)F ZINC001361032983 1066248380 /nfs/dbraw/zinc/24/83/80/1066248380.db2.gz KJGMGRATAVPBIJ-LLVKDONJSA-N 0 0 452.329 4.754 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001442974457 1066248938 /nfs/dbraw/zinc/24/89/38/1066248938.db2.gz ROZNGUYCCYFEHW-KSSFIOAISA-N 0 0 459.568 4.699 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001442974538 1066249147 /nfs/dbraw/zinc/24/91/47/1066249147.db2.gz STAKLFAPFMBAFR-MEBBXXQBSA-N 0 0 463.273 4.755 20 0 JJADRN COc1ccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1C ZINC001361033341 1066249552 /nfs/dbraw/zinc/24/95/52/1066249552.db2.gz PYXBWAYUWOFUCE-RUZDIDTESA-N 0 0 453.922 4.713 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccncc1Oc1ccccc1 ZINC001442983148 1066249914 /nfs/dbraw/zinc/24/99/14/1066249914.db2.gz FJMQVUVWHVTTNJ-UHFFFAOYSA-N 0 0 459.527 4.605 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)c(C)c2N)c1 ZINC001442980188 1066249938 /nfs/dbraw/zinc/24/99/38/1066249938.db2.gz BOABFAUQLNDRNS-UHFFFAOYSA-N 0 0 454.324 4.853 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)cc(Br)c2N)cnc1C(F)(F)F ZINC001454149944 1066250112 /nfs/dbraw/zinc/25/01/12/1066250112.db2.gz KWDHNRGLQDENGF-UHFFFAOYSA-N 0 0 453.056 4.768 20 0 JJADRN CCOc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033437 1066250174 /nfs/dbraw/zinc/25/01/74/1066250174.db2.gz TUFAVDGYYOFWAA-RUZDIDTESA-N 0 0 453.922 4.795 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545953391 1066250510 /nfs/dbraw/zinc/25/05/10/1066250510.db2.gz XHTHWBZAGOKYNP-SFHLNBCPSA-N 0 0 454.594 4.906 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)o1 ZINC001442987942 1066250594 /nfs/dbraw/zinc/25/05/94/1066250594.db2.gz YNNOLGVIQURXSZ-UHFFFAOYSA-N 0 0 453.514 4.724 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1cnn([C@H]2CCCCO2)c1)NCC1CCCCC1 ZINC001454156941 1066250678 /nfs/dbraw/zinc/25/06/78/1066250678.db2.gz VNXBCFLIUQPHSV-HSZRJFAPSA-N 0 0 456.612 4.623 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC001442999729 1066251435 /nfs/dbraw/zinc/25/14/35/1066251435.db2.gz RAFRRFUUWSAFHS-FQEVSTJZSA-N 0 0 457.423 4.738 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC2CC(C)(C)C2)c1 ZINC001361034916 1066251826 /nfs/dbraw/zinc/25/18/26/1066251826.db2.gz ITYKKAJHBFBCCX-IBGZPJMESA-N 0 0 479.591 4.983 20 0 JJADRN O=C([C@H](O)c1ccccc1C(F)(F)F)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001454184825 1066252062 /nfs/dbraw/zinc/25/20/62/1066252062.db2.gz VCUSOTDFNWCABD-OAQYLSRUSA-N 0 0 459.443 4.741 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1 ZINC001361035030 1066252208 /nfs/dbraw/zinc/25/22/08/1066252208.db2.gz NILUVUUIASWILD-HXUWFJFHSA-N 0 0 469.630 4.768 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC001443010633 1066252681 /nfs/dbraw/zinc/25/26/81/1066252681.db2.gz GURBDJQDBUPMQI-AWEZNQCLSA-N 0 0 451.296 4.809 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC001454191868 1066252714 /nfs/dbraw/zinc/25/27/14/1066252714.db2.gz GTUKORZTSSWHGA-GOSISDBHSA-N 0 0 456.539 4.780 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@]2(C)CCCS2)c1 ZINC001361035153 1066253058 /nfs/dbraw/zinc/25/30/58/1066253058.db2.gz RIYSRCYZXBXVMZ-XXBNENTESA-N 0 0 497.631 4.832 20 0 JJADRN O=C(NCc1csc(Cc2ccc(Cl)cc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001454198635 1066253322 /nfs/dbraw/zinc/25/33/22/1066253322.db2.gz AQDFSXCFGPRGTL-UHFFFAOYSA-N 0 0 453.995 4.556 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CN(Cc2cccnc2)c2ccccc2)c2ccccc21 ZINC001454196968 1066253451 /nfs/dbraw/zinc/25/34/51/1066253451.db2.gz VFHVIDOQXVCFHT-DEOSSOPVSA-N 0 0 457.574 4.950 20 0 JJADRN CCN(C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001454203058 1066253962 /nfs/dbraw/zinc/25/39/62/1066253962.db2.gz MVAWCPPYZSARKO-LJQANCHMSA-N 0 0 457.496 4.508 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC001454204230 1066254141 /nfs/dbraw/zinc/25/41/41/1066254141.db2.gz GJWZFVWWHWSKAX-UHFFFAOYSA-N 0 0 450.004 4.649 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C(C)C)cc1 ZINC001454202478 1066254197 /nfs/dbraw/zinc/25/41/97/1066254197.db2.gz JUDVWFYJZDEQPE-JOCHJYFZSA-N 0 0 456.011 4.767 20 0 JJADRN COc1ccc(CC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)cc1OC(F)F ZINC001454207020 1066254611 /nfs/dbraw/zinc/25/46/11/1066254611.db2.gz OCGXTYIHVOPUDS-UHFFFAOYSA-N 0 0 452.910 4.856 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(c2nc(C)no2)CC1)OC ZINC001545953189 1066254986 /nfs/dbraw/zinc/25/49/86/1066254986.db2.gz UZZDCWYAACBRKY-CTNGQTDRSA-N 0 0 482.629 4.709 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001443022653 1066255032 /nfs/dbraw/zinc/25/50/32/1066255032.db2.gz LMEFTYJMMSBSFM-UHFFFAOYSA-N 0 0 457.574 4.746 20 0 JJADRN Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)nnn1-c1ccccc1 ZINC001361037292 1066255367 /nfs/dbraw/zinc/25/53/67/1066255367.db2.gz DQFNVPWZXBYJCB-UHFFFAOYSA-N 0 0 453.384 4.970 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC001454222349 1066255508 /nfs/dbraw/zinc/25/55/08/1066255508.db2.gz RJECOCHOAJMZLQ-BFUOFWGJSA-N 0 0 458.946 4.668 20 0 JJADRN CCCCNc1ccccc1C(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001443023689 1066255477 /nfs/dbraw/zinc/25/54/77/1066255477.db2.gz RECSPJCLHOZXLI-UHFFFAOYSA-N 0 0 451.592 4.972 20 0 JJADRN Cn1ncc2c1CC(C)(C)CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C2 ZINC001454216264 1066255629 /nfs/dbraw/zinc/25/56/29/1066255629.db2.gz FLBXWFPYSPNFDO-OAQYLSRUSA-N 0 0 454.615 4.623 20 0 JJADRN Cc1nn(C(C)(C)C)cc1C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC001443024284 1066255670 /nfs/dbraw/zinc/25/56/70/1066255670.db2.gz VOLMRAYHHBADBH-UHFFFAOYSA-N 0 0 456.344 4.609 20 0 JJADRN C[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)Oc2ccccc2NC1=O ZINC001361037791 1066256033 /nfs/dbraw/zinc/25/60/33/1066256033.db2.gz PPJSGXCLCATKGO-QFIPXVFZSA-N 0 0 457.368 4.557 20 0 JJADRN Cc1nc(-c2cccc(CNC(=O)CSc3nncn3-c3cccc(Cl)c3)c2)cs1 ZINC001454229714 1066256289 /nfs/dbraw/zinc/25/62/89/1066256289.db2.gz WRPKWBSQEWZXMA-UHFFFAOYSA-N 0 0 455.996 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)CC1 ZINC001443031025 1066256233 /nfs/dbraw/zinc/25/62/33/1066256233.db2.gz SQHCEXFNNPKBCC-UHFFFAOYSA-N 0 0 458.643 4.674 20 0 JJADRN COc1cc2ccc(C(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc2cc1OC ZINC001443028990 1066256287 /nfs/dbraw/zinc/25/62/87/1066256287.db2.gz PJODHSVLCKEQTN-JOCHJYFZSA-N 0 0 456.336 4.833 20 0 JJADRN Cc1c(Br)ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)c1N ZINC001454222924 1066256370 /nfs/dbraw/zinc/25/63/70/1066256370.db2.gz QOJWIDQWUJSYGA-UHFFFAOYSA-N 0 0 453.384 4.750 20 0 JJADRN CCCCN(CC)c1nnc(CN2CCCC2=O)n1Cc1c(C)sc(C)c1Br ZINC001547016118 1066256394 /nfs/dbraw/zinc/25/63/94/1066256394.db2.gz XCPSAJDTJGILID-UHFFFAOYSA-N 0 0 468.465 4.516 20 0 JJADRN Cc1nc(-c2cccc(CNC(=O)C3(S(=O)(=O)c4ccc(C)cc4)CCCC3)c2)cs1 ZINC001454228327 1066256410 /nfs/dbraw/zinc/25/64/10/1066256410.db2.gz PRERIZYCGIHKQL-UHFFFAOYSA-N 0 0 454.617 4.830 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(C)nc2)c1 ZINC001361038048 1066256443 /nfs/dbraw/zinc/25/64/43/1066256443.db2.gz DAFRVCYKRCPKOS-QHCPKHFHSA-N 0 0 451.640 4.803 20 0 JJADRN Cc1nccn1CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001361038250 1066256616 /nfs/dbraw/zinc/25/66/16/1066256616.db2.gz GMFKBMJUQLUJHR-HSZRJFAPSA-N 0 0 468.671 4.647 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2F)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001545953570 1066256776 /nfs/dbraw/zinc/25/67/76/1066256776.db2.gz ZUEHNVAAMKZNRV-XUVXKRRUSA-N 0 0 488.652 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361038486 1066257231 /nfs/dbraw/zinc/25/72/31/1066257231.db2.gz JQUUYWZDERLKIK-HFMPRLQTSA-N 0 0 456.631 4.539 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)c1cn(Cc2cccs2)nn1 ZINC001361038412 1066257254 /nfs/dbraw/zinc/25/72/54/1066257254.db2.gz YFXVMGPCIWQIIY-UHFFFAOYSA-N 0 0 459.413 4.782 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(Br)c2F)cc1 ZINC001454250525 1066257526 /nfs/dbraw/zinc/25/75/26/1066257526.db2.gz XHYDGZDRYLGKFJ-GOSISDBHSA-N 0 0 450.352 4.749 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001443038317 1066257579 /nfs/dbraw/zinc/25/75/79/1066257579.db2.gz XJXKYEVSJKMCDU-GOSISDBHSA-N 0 0 451.748 4.500 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361038607 1066257848 /nfs/dbraw/zinc/25/78/48/1066257848.db2.gz LBSLLNJCEWZGMH-DEOSSOPVSA-N 0 0 480.682 4.561 20 0 JJADRN O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001454256270 1066258325 /nfs/dbraw/zinc/25/83/25/1066258325.db2.gz TXWUGSOXZSGPJQ-UHFFFAOYSA-N 0 0 455.436 4.813 20 0 JJADRN COc1cccc([C@H](NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c2nccn2C)c1 ZINC001454251066 1066258453 /nfs/dbraw/zinc/25/84/53/1066258453.db2.gz WYRKIMUQASXDJM-QFIPXVFZSA-N 0 0 459.550 4.587 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(C(=O)Cc3nc(C(C)C)c(C)s3)CC2)n1 ZINC001454252390 1066258565 /nfs/dbraw/zinc/25/85/65/1066258565.db2.gz QSPCDYIXFMIOJZ-UHFFFAOYSA-N 0 0 450.608 4.989 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)O1 ZINC001546059065 1066258985 /nfs/dbraw/zinc/25/89/85/1066258985.db2.gz DVBJKPVAAGAPPV-IILZIBOQSA-N 0 0 470.658 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001443054283 1066259615 /nfs/dbraw/zinc/25/96/15/1066259615.db2.gz ALFZWYPGUVZXMA-FQEVSTJZSA-N 0 0 454.970 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)C1 ZINC001443053459 1066259743 /nfs/dbraw/zinc/25/97/43/1066259743.db2.gz RECNGEQLWYCLDS-AZUAARDMSA-N 0 0 473.614 4.854 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@H](c3ccccc3F)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001443056063 1066259998 /nfs/dbraw/zinc/25/99/98/1066259998.db2.gz BTHFJWWFIARDIK-QHCPKHFHSA-N 0 0 450.558 4.870 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361039266 1066259990 /nfs/dbraw/zinc/25/99/90/1066259990.db2.gz BZGFRMJRSIINAS-BGYRXZFFSA-N 0 0 484.595 4.711 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(C)nc2)c1 ZINC001361039127 1066260034 /nfs/dbraw/zinc/26/00/34/1066260034.db2.gz YEPOOLPJTLPDIB-MHZLTWQESA-N 0 0 463.626 4.867 20 0 JJADRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443057381 1066260491 /nfs/dbraw/zinc/26/04/91/1066260491.db2.gz UABOARDNZWMQPR-HTAPYJJXSA-N 0 0 451.567 4.810 20 0 JJADRN C[C@H](O)[C@@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(C(C)(C)C)cc1 ZINC001454267952 1066260711 /nfs/dbraw/zinc/26/07/11/1066260711.db2.gz PUOAWNAYTRGFPH-ARXMRCDASA-N 0 0 458.602 4.881 20 0 JJADRN CCCNC(=O)C1(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)CCCCC1 ZINC001443059682 1066261627 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C[C@@H]1CN(c2ccc(NC(=O)[C@](C)(O)c3ccc(Cl)cc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001443098358 1066267272 /nfs/dbraw/zinc/26/72/72/1066267272.db2.gz BGVGBFHWDZFIKH-ZMOMAAQPSA-N 0 0 456.892 4.819 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC001361042813 1066267476 /nfs/dbraw/zinc/26/74/76/1066267476.db2.gz QMIIFTXZXAXJLL-DEOSSOPVSA-N 0 0 481.685 4.695 20 0 JJADRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)cc2)c1 ZINC001443100568 1066268111 /nfs/dbraw/zinc/26/81/11/1066268111.db2.gz PDDADNSBDNZBHD-QFQXNSOFSA-N 0 0 457.574 4.908 20 0 JJADRN Cc1ccc2nc(C3CC3)cc(C(=O)N[C@](C)(CO)Cc3ccc(Br)cc3)c2c1 ZINC001454314207 1066269587 /nfs/dbraw/zinc/26/95/87/1066269587.db2.gz WQZZWBFBTCUVMB-DEOSSOPVSA-N 0 0 453.380 4.907 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(COc4ccc(Cl)cc4)n3CC(C)(C)C(C)C)CC2)n1 ZINC001361045421 1066269918 /nfs/dbraw/zinc/26/99/18/1066269918.db2.gz XIGPWKLBTXDWPJ-UHFFFAOYSA-N 0 0 498.075 4.926 20 0 JJADRN CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[C@H]1C ZINC001443113934 1066270049 /nfs/dbraw/zinc/27/00/49/1066270049.db2.gz YJSXJTXNSJAIQN-NXWNEQKCSA-N 0 0 456.656 4.763 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CCC1(F)F ZINC001454328807 1066270343 /nfs/dbraw/zinc/27/03/43/1066270343.db2.gz MDAOFXCKBDJAHI-LPHOPBHVSA-N 0 0 455.860 4.646 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CC(F)(F)C3)n2CCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045552 1066270398 /nfs/dbraw/zinc/27/03/98/1066270398.db2.gz BDMIKVLOEUSJJQ-UHFFFAOYSA-N 0 0 486.567 4.808 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1)Oc1ccccc1 ZINC001443123741 1066270942 /nfs/dbraw/zinc/27/09/42/1066270942.db2.gz IEBTZZIJPKPOPR-UHFFFAOYSA-N 0 0 455.711 4.635 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC001443119630 1066270961 /nfs/dbraw/zinc/27/09/61/1066270961.db2.gz BQTLAYDVWOPMHD-OUKQBFOZSA-N 0 0 459.546 4.816 20 0 JJADRN 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CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546060223 1066274084 /nfs/dbraw/zinc/27/40/84/1066274084.db2.gz WZQVDHXHDWHQOZ-CUNXSJBXSA-N 0 0 499.725 4.921 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CCNC(=O)OC(C)(C)C ZINC001361046113 1066274579 /nfs/dbraw/zinc/27/45/79/1066274579.db2.gz WASTZMVOSWAMPL-UHFFFAOYSA-N 0 0 476.581 4.864 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OCCCOC)CC2)O1 ZINC001546060370 1066274476 /nfs/dbraw/zinc/27/44/76/1066274476.db2.gz ZBOFDYNRYSHYIH-MTPWMDRRSA-N 0 0 492.705 4.566 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OCCCOC)CC2)O1 ZINC001546060369 1066274679 /nfs/dbraw/zinc/27/46/79/1066274679.db2.gz ZBOFDYNRYSHYIH-IILZIBOQSA-N 0 0 492.705 4.566 20 0 JJADRN COc1ccccc1CN1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC001443157382 1066275260 /nfs/dbraw/zinc/27/52/60/1066275260.db2.gz VGFWFFMITWJYHI-UHFFFAOYSA-N 0 0 459.468 4.635 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C1CC1 ZINC001443158869 1066275324 /nfs/dbraw/zinc/27/53/24/1066275324.db2.gz WSZAYMZIPZDMAG-UHFFFAOYSA-N 0 0 457.958 4.722 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)no1 ZINC001361046662 1066275740 /nfs/dbraw/zinc/27/57/40/1066275740.db2.gz JGZAUVZDXVZKMX-INIZCTEOSA-N 0 0 451.310 4.873 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CC[C@@H](c3ccc(O)cc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001454363190 1066275948 /nfs/dbraw/zinc/27/59/48/1066275948.db2.gz OSTXOLKHSGNUBA-YLJYHZDGSA-N 0 0 459.974 4.721 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3Br)cc2)n1 ZINC001454377541 1066276553 /nfs/dbraw/zinc/27/65/53/1066276553.db2.gz WBCRNNHKIQTDKN-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc(-c2cscn2)cc1 ZINC001361048167 1066277205 /nfs/dbraw/zinc/27/72/05/1066277205.db2.gz RRKVDDGACBYDFX-UHFFFAOYSA-N 0 0 456.589 4.523 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCNC(=O)C(C)C)s1 ZINC001361048783 1066278442 /nfs/dbraw/zinc/27/84/42/1066278442.db2.gz JHQIYWHWFUMECU-KRWDZBQOSA-N 0 0 491.665 4.579 20 0 JJADRN CC(C)O[C@@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 ZINC001443198812 1066278485 /nfs/dbraw/zinc/27/84/85/1066278485.db2.gz HBQTUJGEKYYDMI-HSZRJFAPSA-N 0 0 453.583 4.760 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)N(C)CCO3)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001443200344 1066278571 /nfs/dbraw/zinc/27/85/71/1066278571.db2.gz CAMPDDHKBWXFMH-UHFFFAOYSA-N 0 0 450.848 4.934 20 0 JJADRN Cc1cc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361048793 1066279202 /nfs/dbraw/zinc/27/92/02/1066279202.db2.gz JOHKMEUDEBAYRW-SFHVURJKSA-N 0 0 490.574 4.690 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443204445 1066279157 /nfs/dbraw/zinc/27/91/57/1066279157.db2.gz ISBZBJAFVUNJOL-CQSZACIVSA-N 0 0 452.477 4.641 20 0 JJADRN Cc1ccccc1C(=O)CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001454406001 1066279262 /nfs/dbraw/zinc/27/92/62/1066279262.db2.gz JANNNYIUKDSNBE-UHFFFAOYSA-N 0 0 451.320 4.623 20 0 JJADRN Cc1cc(NC(=O)[C@H](O)c2cccc(Br)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443208706 1066279573 /nfs/dbraw/zinc/27/95/73/1066279573.db2.gz VMRXBWITQIUCNP-QGZVFWFLSA-N 0 0 454.246 4.634 20 0 JJADRN Cc1cc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@](C)(O)C(C)C)c2ccccc2n1 ZINC001361048960 1066279788 /nfs/dbraw/zinc/27/97/88/1066279788.db2.gz OOCAUQXZZZUOHT-SANMLTNESA-N 0 0 451.615 4.603 20 0 JJADRN Cc1cc(NC(=O)[C@@H](O)c2cccc(Br)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443208666 1066279802 /nfs/dbraw/zinc/27/98/02/1066279802.db2.gz VMRXBWITQIUCNP-KRWDZBQOSA-N 0 0 454.246 4.634 20 0 JJADRN CC(C)n1c(=O)[nH]c2ccc(C(=O)Nc3ccnn3Cc3ccc(Br)cc3)cc21 ZINC001443210659 1066280079 /nfs/dbraw/zinc/28/00/79/1066280079.db2.gz SMNAOXYCRXHUCJ-UHFFFAOYSA-N 0 0 454.328 4.582 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CC2(C)CCOCC2)c2ccccc2n1 ZINC001361049119 1066280164 /nfs/dbraw/zinc/28/01/64/1066280164.db2.gz TZQWMFRWHYCRDM-UHFFFAOYSA-N 0 0 451.615 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001443209479 1066280328 /nfs/dbraw/zinc/28/03/28/1066280328.db2.gz QUYYCCSBKTVCPQ-JQVVWYNYSA-N 0 0 452.599 4.670 20 0 JJADRN C[C@@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443213379 1066280871 /nfs/dbraw/zinc/28/08/71/1066280871.db2.gz JQGFLSUUNXUUKA-PMQPGWGVSA-N 0 0 454.542 4.695 20 0 JJADRN C[C@H](C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC001443213609 1066280887 /nfs/dbraw/zinc/28/08/87/1066280887.db2.gz IUHXRASFGSYRMZ-ZDUSSCGKSA-N 0 0 453.370 4.680 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)c2N1 ZINC001443212069 1066280963 /nfs/dbraw/zinc/28/09/63/1066280963.db2.gz DMAGERWYHFISHK-QMTHXVAHSA-N 0 0 455.296 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC001443218131 1066281549 /nfs/dbraw/zinc/28/15/49/1066281549.db2.gz PRBZPMHJCFCRGO-UHFFFAOYSA-N 0 0 454.498 4.941 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC(F)(F)Br)c2ccccc2n1 ZINC001361049261 1066281484 /nfs/dbraw/zinc/28/14/84/1066281484.db2.gz YCNWIMFUXMFKET-CQSZACIVSA-N 0 0 480.357 4.793 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCCCOc1cccc2cccnc21 ZINC001443215310 1066281704 /nfs/dbraw/zinc/28/17/04/1066281704.db2.gz LNUZEZZDVGWXBU-OAQYLSRUSA-N 0 0 455.599 4.984 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3cc(Cl)ccc3s2)C1 ZINC001546061691 1066282308 /nfs/dbraw/zinc/28/23/08/1066282308.db2.gz DQOLKAODUHUZRQ-NYHFZMIOSA-N 0 0 464.035 4.940 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)c1ccc(I)cc1 ZINC001454449811 1066283378 /nfs/dbraw/zinc/28/33/78/1066283378.db2.gz KZIGADMWXNBUMZ-ZBFHGGJFSA-N 0 0 459.331 4.677 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](C)CC3)n2CC[S@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361049995 1066283597 /nfs/dbraw/zinc/28/35/97/1066283597.db2.gz RLMFMSVSJOVLDA-CVCYQNGTSA-N 0 0 453.656 4.975 20 0 JJADRN COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cnc1Br ZINC001361049958 1066283702 /nfs/dbraw/zinc/28/37/02/1066283702.db2.gz FNOIYBMRTJTERB-UHFFFAOYSA-N 0 0 452.352 4.910 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NCCc1c[nH]c2c1cccc2Cl ZINC001454449402 1066283787 /nfs/dbraw/zinc/28/37/87/1066283787.db2.gz CHKNHFUVCBQXQL-UHFFFAOYSA-N 0 0 456.930 4.571 20 0 JJADRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(Br)cc2[nH]cnc21 ZINC001443254439 1066284956 /nfs/dbraw/zinc/28/49/56/1066284956.db2.gz QUCCPBZOMQOWCB-UHFFFAOYSA-N 0 0 456.369 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3csc(-c4ccc(O)cc4)n3)C(C)(C)[C@@H]21 ZINC001454459576 1066285193 /nfs/dbraw/zinc/28/51/93/1066285193.db2.gz GTSBGAOMXMLKAB-BHIYHBOVSA-N 0 0 457.596 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(Nc2cccnc2)cc1 ZINC001454458981 1066285287 /nfs/dbraw/zinc/28/52/87/1066285287.db2.gz FMPVIWYGMBEDNL-BHIFYINESA-N 0 0 450.583 4.979 20 0 JJADRN Cc1cc(-c2nnc(N3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050307 1066285262 /nfs/dbraw/zinc/28/52/62/1066285262.db2.gz XFPLLDUWWYPHPX-KRWDZBQOSA-N 0 0 450.587 4.563 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)Cc3ccc(Br)c(Br)c3)cc2)o1 ZINC001361050466 1066285657 /nfs/dbraw/zinc/28/56/57/1066285657.db2.gz QUWDEGZSPRSAAJ-UHFFFAOYSA-N 0 0 451.118 4.751 20 0 JJADRN CC[C@@H](C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC001361050902 1066285784 /nfs/dbraw/zinc/28/57/84/1066285784.db2.gz FUABSQHATUAWCE-JWQCQUIFSA-N 0 0 451.588 4.807 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(I)cc1O ZINC001443264282 1066286366 /nfs/dbraw/zinc/28/63/66/1066286366.db2.gz MTDGJTFMTHQNMW-UHFFFAOYSA-N 0 0 458.299 4.543 20 0 JJADRN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1csc(I)c1Br ZINC001361051690 1066286374 /nfs/dbraw/zinc/28/63/74/1066286374.db2.gz XWTAXUJGGUJUPU-GXSJLCMTSA-N 0 0 454.171 4.814 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)N[C@H](C)Cc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC001361051587 1066286430 /nfs/dbraw/zinc/28/64/30/1066286430.db2.gz WBTLEXGMTOZNME-WMVAVLGLSA-N 0 0 457.574 4.630 20 0 JJADRN CC(C)Oc1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1Cl ZINC001454465548 1066286647 /nfs/dbraw/zinc/28/66/47/1066286647.db2.gz MGOACXSHFDGAHG-KBAYOESNSA-N 0 0 451.995 4.676 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c1 ZINC001443262148 1066286641 /nfs/dbraw/zinc/28/66/41/1066286641.db2.gz TWABZBWEULHLRA-UHFFFAOYSA-N 0 0 454.596 4.882 20 0 JJADRN Cc1cc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361051816 1066287004 /nfs/dbraw/zinc/28/70/04/1066287004.db2.gz BHEJVVSBQUCDSG-IAGOWNOFSA-N 0 0 478.588 4.626 20 0 JJADRN Cc1cc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361051815 1066287049 /nfs/dbraw/zinc/28/70/49/1066287049.db2.gz BHEJVVSBQUCDSG-DLBZAZTESA-N 0 0 478.588 4.626 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361051870 1066287100 /nfs/dbraw/zinc/28/71/00/1066287100.db2.gz DIKWSDDZUXQQNG-QZTJIDSGSA-N 0 0 482.654 4.657 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361052213 1066287161 /nfs/dbraw/zinc/28/71/61/1066287161.db2.gz MVLJRGMDPCBHJR-DFBJGRDBSA-N 0 0 453.656 4.931 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2cnccc2c1)OC ZINC001545956321 1066287268 /nfs/dbraw/zinc/28/72/68/1066287268.db2.gz AEGJWPHZGXFGDD-LJQANCHMSA-N 0 0 469.387 4.645 20 0 JJADRN CCn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(-c2ccccc2)n1 ZINC001454470462 1066287823 /nfs/dbraw/zinc/28/78/23/1066287823.db2.gz PMIIQZLPLOUOAG-VLCRHTCISA-N 0 0 452.599 4.724 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(C)(C)C)n2C[C@H](F)c2ccc(Br)cc2)no1 ZINC001361052593 1066287794 /nfs/dbraw/zinc/28/77/94/1066287794.db2.gz SPCDQIAMORKDSX-KRWDZBQOSA-N 0 0 450.356 4.982 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)CCOCC2)cc1 ZINC001454475613 1066288458 /nfs/dbraw/zinc/28/84/58/1066288458.db2.gz TYGBJPMDTKFUGF-BDTNDASRSA-N 0 0 456.627 4.584 20 0 JJADRN CCn1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1-c1ccccc1 ZINC001454471880 1066288584 /nfs/dbraw/zinc/28/85/84/1066288584.db2.gz QBFJZWJWWWWQKL-QIJUGHKUSA-N 0 0 452.599 4.724 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCCC2)no1 ZINC001361053432 1066289130 /nfs/dbraw/zinc/28/91/30/1066289130.db2.gz IQQAXQNKYBOBTR-QGZVFWFLSA-N 0 0 459.978 4.700 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001454476593 1066289203 /nfs/dbraw/zinc/28/92/03/1066289203.db2.gz UWFZPVZXPJCDBZ-ZTFGCOKTSA-N 0 0 455.521 4.901 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2OCCC2(C)C)no1 ZINC001361053593 1066289530 /nfs/dbraw/zinc/28/95/30/1066289530.db2.gz MLBFZWVRMWTYSO-JXFKEZNVSA-N 0 0 459.978 4.819 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)c1 ZINC001361053693 1066289669 /nfs/dbraw/zinc/28/96/69/1066289669.db2.gz PFJQMRRBDNAPDF-OAQYLSRUSA-N 0 0 472.577 4.559 20 0 JJADRN COC[C@H](C)N(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001454477681 1066289789 /nfs/dbraw/zinc/28/97/89/1066289789.db2.gz VCNJOFNPXYZDBA-CUWPLCDZSA-N 0 0 450.645 4.574 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnc(C)s2)no1 ZINC001361054042 1066290283 /nfs/dbraw/zinc/29/02/83/1066290283.db2.gz ZKBUBEBAAWIPDS-CQSZACIVSA-N 0 0 458.975 4.818 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)N(C)CCCN2c3ccccc3Sc3ccccc32)s1 ZINC001454479638 1066290550 /nfs/dbraw/zinc/29/05/50/1066290550.db2.gz ZZAFZJSNVYPZAU-UHFFFAOYSA-N 0 0 451.617 4.938 20 0 JJADRN O=C(c1ccc(Cl)cc1Br)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454487863 1066291228 /nfs/dbraw/zinc/29/12/28/1066291228.db2.gz BGAFFBSBALOCOC-HZPDHXFCSA-N 0 0 459.565 4.813 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CC[C@@H](O)[C@H]3c3ccc(Br)cc3)cs2)c1 ZINC001454488151 1066291449 /nfs/dbraw/zinc/29/14/49/1066291449.db2.gz FMXFSWVZCQEHLX-TZIWHRDSSA-N 0 0 457.393 4.758 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)NCCCc1nc(-c2ccncc2)cs1 ZINC001443293413 1066291248 /nfs/dbraw/zinc/29/12/48/1066291248.db2.gz MYPVHKHFENQOEI-UHFFFAOYSA-N 0 0 450.789 4.913 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)N3CC[C@@H](O)[C@H]3c3ccc(Br)cc3)cs2)cc1 ZINC001454489754 1066292046 /nfs/dbraw/zinc/29/20/46/1066292046.db2.gz LIPALSSZQMBWLP-TZIWHRDSSA-N 0 0 457.393 4.753 20 0 JJADRN O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)c1ccc(OC(F)F)cn1)C2 ZINC001443300355 1066292056 /nfs/dbraw/zinc/29/20/56/1066292056.db2.gz AXXAZENGWFUHBE-UHFFFAOYSA-N 0 0 456.424 4.665 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC001443301713 1066292333 /nfs/dbraw/zinc/29/23/33/1066292333.db2.gz YZRHVRBFKKATPH-UHFFFAOYSA-N 0 0 452.551 4.680 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001546062167 1066292602 /nfs/dbraw/zinc/29/26/02/1066292602.db2.gz LXMYVKULPNUUSU-MBSDFSHPSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NC(C)C)c1 ZINC001361054959 1066292736 /nfs/dbraw/zinc/29/27/36/1066292736.db2.gz MIGYQMSYHZXPKG-UHFFFAOYSA-N 0 0 451.640 4.745 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)c1 ZINC001454496950 1066293077 /nfs/dbraw/zinc/29/30/77/1066293077.db2.gz MOXAEBPRDYIDPE-UHFFFAOYSA-N 0 0 455.711 4.713 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CC(Cc2cccs2)C1 ZINC001454497066 1066293150 /nfs/dbraw/zinc/29/31/50/1066293150.db2.gz DDHJXAYHJWEOLA-UHFFFAOYSA-N 0 0 453.404 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)NCc3csc(C(F)(F)F)c3)cccc2C1 ZINC001454495902 1066293235 /nfs/dbraw/zinc/29/32/35/1066293235.db2.gz QGJKAIKMWOTKAG-UHFFFAOYSA-N 0 0 454.514 4.919 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCC(F)(F)F)no1 ZINC001361055096 1066293265 /nfs/dbraw/zinc/29/32/65/1066293265.db2.gz RLFZTXIYOALNCV-UHFFFAOYSA-N 0 0 477.516 4.564 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nccn2C(F)F)no1 ZINC001361055436 1066293878 /nfs/dbraw/zinc/29/38/78/1066293878.db2.gz WYNCIKVAPLGPEG-UHFFFAOYSA-N 0 0 492.328 4.589 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C2CC2)n1 ZINC001361055405 1066293892 /nfs/dbraw/zinc/29/38/92/1066293892.db2.gz HEKJBFRVFPBRTQ-CQSZACIVSA-N 0 0 459.568 4.715 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454499702 1066293935 /nfs/dbraw/zinc/29/39/35/1066293935.db2.gz VYHQKTLHPNDTAF-PXCRPINLSA-N 0 0 479.212 4.824 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454499709 1066293979 /nfs/dbraw/zinc/29/39/79/1066293979.db2.gz VYHQKTLHPNDTAF-QEUVDIPISA-N 0 0 479.212 4.824 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC=C(c2ccccc2)C1)OC ZINC001545956888 1066294362 /nfs/dbraw/zinc/29/43/62/1066294362.db2.gz KQTLQSZSAXMEPC-FQEVSTJZSA-N 0 0 470.415 4.765 20 0 JJADRN COC(=O)CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)c1cccc(F)c1 ZINC001361055850 1066294543 /nfs/dbraw/zinc/29/45/43/1066294543.db2.gz TXGKEPZIFUTVOO-GFCCVEGCSA-N 0 0 458.711 4.605 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)c2nccs2)no1 ZINC001361055531 1066294576 /nfs/dbraw/zinc/29/45/76/1066294576.db2.gz YIFQTQGUSCGRRV-ZDUSSCGKSA-N 0 0 473.400 4.901 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@H]3Cc4c(cc(C)cc4F)N3C(=O)OC(C)(C)C)cc2)o1 ZINC001361056012 1066294867 /nfs/dbraw/zinc/29/48/67/1066294867.db2.gz ZAXXXGUTFWCRLI-HXUWFJFHSA-N 0 0 452.486 4.797 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc(C(F)(F)F)nc2)c2ccc(OC)cc2)n1 ZINC001361055950 1066295136 /nfs/dbraw/zinc/29/51/36/1066295136.db2.gz XDMAWISIRRAQPU-UHFFFAOYSA-N 0 0 451.426 4.721 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)no1 ZINC001361056156 1066295756 /nfs/dbraw/zinc/29/57/56/1066295756.db2.gz FEKHVELRUQHXFT-UHFFFAOYSA-N 0 0 473.762 4.737 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001361056232 1066295925 /nfs/dbraw/zinc/29/59/25/1066295925.db2.gz INXDSQHLENTFOF-UHFFFAOYSA-N 0 0 475.906 4.739 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545957087 1066295869 /nfs/dbraw/zinc/29/58/69/1066295869.db2.gz OUUSHACFYIOWFI-MAUKXSAKSA-N 0 0 478.435 5.000 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2OC)C1 ZINC001546062743 1066296026 /nfs/dbraw/zinc/29/60/26/1066296026.db2.gz WJTRRZWVESMJEW-CRICUBBOSA-N 0 0 469.561 4.644 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)no1 ZINC001361056349 1066296318 /nfs/dbraw/zinc/29/63/18/1066296318.db2.gz MUQTVEJAVKWTGI-CYBMUJFWSA-N 0 0 478.956 4.584 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)C1 ZINC001546062893 1066296443 /nfs/dbraw/zinc/29/64/43/1066296443.db2.gz YSJXHKOJXQBDTG-CLOONOSVSA-N 0 0 452.603 4.986 20 0 JJADRN O=C(Nc1cc(F)ccc1NC1CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC001454529945 1066296507 /nfs/dbraw/zinc/29/65/07/1066296507.db2.gz GSCSYEMOFBBQIC-UHFFFAOYSA-N 0 0 450.699 4.649 20 0 JJADRN CC(C)N(C)c1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001443337364 1066296433 /nfs/dbraw/zinc/29/64/33/1066296433.db2.gz SEYMIHAZFDJNCY-UHFFFAOYSA-N 0 0 455.555 4.652 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCCCCC2=O)no1 ZINC001361056595 1066296938 /nfs/dbraw/zinc/29/69/38/1066296938.db2.gz VYLFUYKFFVSYPW-UHFFFAOYSA-N 0 0 491.423 4.977 20 0 JJADRN CC[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001545957289 1066297895 /nfs/dbraw/zinc/29/78/95/1066297895.db2.gz SRZOKELFJBFAGM-HOTGVXAUSA-N 0 0 497.086 4.642 20 0 JJADRN CCON(C(=O)c1nnn(-c2ccc(OC)cc2)c1C)[C@H](C)c1cccc(Br)c1 ZINC001454541115 1066298408 /nfs/dbraw/zinc/29/84/08/1066298408.db2.gz LWFCRPMJKSYQHP-CQSZACIVSA-N 0 0 459.344 4.502 20 0 JJADRN CCON(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@@H](C)c1cccc(Br)c1 ZINC001454545055 1066298463 /nfs/dbraw/zinc/29/84/63/1066298463.db2.gz UVYPJRVSHCXOGK-HNNXBMFYSA-N 0 0 454.386 4.786 20 0 JJADRN CCON(C(=O)c1cc(Br)c(=O)[nH]c1C)[C@@H](C)c1cccc(Br)c1 ZINC001454543556 1066298619 /nfs/dbraw/zinc/29/86/19/1066298619.db2.gz RVMHPSKUOLGFCQ-NSHDSACASA-N 0 0 458.150 4.776 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1)Oc1ccccc1F ZINC001545957341 1066298341 /nfs/dbraw/zinc/29/83/41/1066298341.db2.gz UAIKTKIWGFFGQU-MRXNPFEDSA-N 0 0 489.349 4.657 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1)Oc1ccccc1F ZINC001545957340 1066298627 /nfs/dbraw/zinc/29/86/27/1066298627.db2.gz UAIKTKIWGFFGQU-INIZCTEOSA-N 0 0 489.349 4.657 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)CC1CCC2(CC1)OCCO2)C(F)(F)F ZINC001361059158 1066298975 /nfs/dbraw/zinc/29/89/75/1066298975.db2.gz CDBKFEWWTNUKIQ-NRFANRHFSA-N 0 0 452.473 4.959 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sc(C)nc2C)C1 ZINC001546062372 1066299001 /nfs/dbraw/zinc/29/90/01/1066299001.db2.gz PNRBRFDDXLOZMQ-QHCPKHFHSA-N 0 0 473.046 4.610 20 0 JJADRN Cc1cccc(CN(C)c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001361060094 1066299570 /nfs/dbraw/zinc/29/95/70/1066299570.db2.gz JOCDLHJHUBWVEW-UHFFFAOYSA-N 0 0 452.912 4.944 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1 ZINC001443356479 1066299801 /nfs/dbraw/zinc/29/98/01/1066299801.db2.gz NAQPALFAFULTSG-UHFFFAOYSA-N 0 0 456.546 4.579 20 0 JJADRN C[C@@](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)(C1CC1)C(F)(F)F ZINC001361060598 1066300221 /nfs/dbraw/zinc/30/02/21/1066300221.db2.gz ZZSZGJZFDBSWTD-LJQANCHMSA-N 0 0 456.306 4.974 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(F)(F)F ZINC001361060485 1066300264 /nfs/dbraw/zinc/30/02/64/1066300264.db2.gz YBKGOSUFYHZZEI-NRFANRHFSA-N 0 0 456.424 4.527 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)NCCc3ccccc3OCc3ccccc3)n[nH]2)cc1 ZINC001454550557 1066300321 /nfs/dbraw/zinc/30/03/21/1066300321.db2.gz HNJPUWSXVGGMTI-UHFFFAOYSA-N 0 0 458.587 4.810 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361060845 1066300518 /nfs/dbraw/zinc/30/05/18/1066300518.db2.gz XFIXZPRLCKWCTC-AJTFRIOCSA-N 0 0 485.673 4.744 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC001443357249 1066300777 /nfs/dbraw/zinc/30/07/77/1066300777.db2.gz OKNRKDGVNRDLKS-JTSKRJEESA-N 0 0 452.555 4.791 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1C[C@H]1CCCOC1 ZINC001443358911 1066301218 /nfs/dbraw/zinc/30/12/18/1066301218.db2.gz MXWOQGBDHLLUID-BVAGGSTKSA-N 0 0 459.590 4.511 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)c1 ZINC001361061283 1066301194 /nfs/dbraw/zinc/30/11/94/1066301194.db2.gz INCQMDHCFRHJIA-NRFANRHFSA-N 0 0 457.619 4.577 20 0 JJADRN CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC001443361870 1066301795 /nfs/dbraw/zinc/30/17/95/1066301795.db2.gz VPCRZJQXEPUSOI-UHFFFAOYSA-N 0 0 451.914 4.770 20 0 JJADRN CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCN1CCOC(C)(C)C1)OC ZINC001545957435 1066301973 /nfs/dbraw/zinc/30/19/73/1066301973.db2.gz VULOMRYGUPOJAS-QGZVFWFLSA-N 0 0 492.089 4.785 20 0 JJADRN O=Cc1ccc(OC(F)(F)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC001443367381 1066302890 /nfs/dbraw/zinc/30/28/90/1066302890.db2.gz GHJNSNZDNFCHDG-UHFFFAOYSA-N 0 0 453.264 4.995 20 0 JJADRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001454573999 1066302979 /nfs/dbraw/zinc/30/29/79/1066302979.db2.gz IBWZKWSLGSTECA-VWLOTQADSA-N 0 0 459.521 4.541 20 0 JJADRN O=C(NCc1cn(C(F)F)c2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001454573476 1066303039 /nfs/dbraw/zinc/30/30/39/1066303039.db2.gz DZMBNYPWCJMHSH-UHFFFAOYSA-N 0 0 455.486 4.767 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361064341 1066303115 /nfs/dbraw/zinc/30/31/15/1066303115.db2.gz AOCCNONOVYOJIT-XUZZJYLKSA-N 0 0 451.615 4.837 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H]2CCCO[C@@H]21 ZINC001361064227 1066303134 /nfs/dbraw/zinc/30/31/34/1066303134.db2.gz YSKQNUCIUJTZCQ-ZCNNSNEGSA-N 0 0 457.368 4.635 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)NCCOC1CCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001361064218 1066303424 /nfs/dbraw/zinc/30/34/24/1066303424.db2.gz YQMVSVFNQFQWLX-UHFFFAOYSA-N 0 0 454.954 4.528 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCC[C@H](O)C2)no1 ZINC001361064913 1066304204 /nfs/dbraw/zinc/30/42/04/1066304204.db2.gz XFEWBIZEYHPOCT-UGKGYDQZSA-N 0 0 488.032 4.735 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS2)no1 ZINC001361064905 1066304227 /nfs/dbraw/zinc/30/42/27/1066304227.db2.gz XCJJAESFTBEIMR-OAQYLSRUSA-N 0 0 455.628 4.983 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 ZINC001361065732 1066304978 /nfs/dbraw/zinc/30/49/78/1066304978.db2.gz DHYXOKWUCILTQI-CYBMUJFWSA-N 0 0 450.545 4.702 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001454582967 1066304966 /nfs/dbraw/zinc/30/49/66/1066304966.db2.gz BKVMZXHQJBULHL-WBMJQRKESA-N 0 0 453.461 4.797 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001454582944 1066305041 /nfs/dbraw/zinc/30/50/41/1066305041.db2.gz BKVMZXHQJBULHL-BLLLJJGKSA-N 0 0 453.461 4.797 20 0 JJADRN Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)c21 ZINC001443396487 1066305344 /nfs/dbraw/zinc/30/53/44/1066305344.db2.gz ZANZBBRJYIACNT-KOSHJBKYSA-N 0 0 455.961 4.926 20 0 JJADRN CC(C)c1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001454589020 1066305623 /nfs/dbraw/zinc/30/56/23/1066305623.db2.gz PEPCCDMBYUOODJ-CALCHBBNSA-N 0 0 458.990 4.873 20 0 JJADRN CC(C)c1c(C(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cnn1-c1ccc(F)cc1 ZINC001454589536 1066305664 /nfs/dbraw/zinc/30/56/64/1066305664.db2.gz FNKQMEVQTACTSU-UHFFFAOYSA-N 0 0 456.562 4.797 20 0 JJADRN O=C(NCCCCNc1ccccn1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001443404964 1066306201 /nfs/dbraw/zinc/30/62/01/1066306201.db2.gz GAQDBIVIGAMHBF-JOCHJYFZSA-N 0 0 454.368 4.973 20 0 JJADRN CCCC[C@H](O)CCC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454592577 1066306453 /nfs/dbraw/zinc/30/64/53/1066306453.db2.gz FOUJNWMCPJRUEZ-IRXDYDNUSA-N 0 0 454.405 4.942 20 0 JJADRN 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CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCc1ccccc1C(N)=O ZINC001443578267 1066330968 /nfs/dbraw/zinc/33/09/68/1066330968.db2.gz GCXOGIIWNPAWEA-FPGHNAPASA-N 0 0 450.579 4.974 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)c3cc(I)ccc3O)c(C)c2c1 ZINC001443579220 1066331025 /nfs/dbraw/zinc/33/10/25/1066331025.db2.gz LJSXWZKBFXRRQA-LLVKDONJSA-N 0 0 451.260 4.551 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001443578109 1066331147 /nfs/dbraw/zinc/33/11/47/1066331147.db2.gz FANSBIHGEJJXPO-TVTNDZMWSA-N 0 0 450.535 4.887 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1Cc1ncnn1C(C)(C)C ZINC001361088546 1066331562 /nfs/dbraw/zinc/33/15/62/1066331562.db2.gz JBFOSLLAMOGDDN-SFHVURJKSA-N 0 0 486.064 4.883 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)NC(=O)OC(C)(C)C)cc1 ZINC001443581720 1066331704 /nfs/dbraw/zinc/33/17/04/1066331704.db2.gz FLUIKGKONPYFJN-GBESFXJTSA-N 0 0 458.521 4.992 20 0 JJADRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(F)cc(I)c2N)C1 ZINC001454764339 1066331899 /nfs/dbraw/zinc/33/18/99/1066331899.db2.gz SHEHSNODFXZGSF-CYBMUJFWSA-N 0 0 452.311 4.878 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(Nc3cccnn3)CC2)n1CC(C)C ZINC001361088575 1066332067 /nfs/dbraw/zinc/33/20/67/1066332067.db2.gz JNLLOZAMWPHPSX-UHFFFAOYSA-N 0 0 484.048 4.778 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1CC1([S@](C)=O)CCC1 ZINC001361088622 1066332138 /nfs/dbraw/zinc/33/21/38/1066332138.db2.gz KGWVGVMJKKDZIZ-CVCYQNGTSA-N 0 0 479.090 4.789 20 0 JJADRN O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001454767578 1066332182 /nfs/dbraw/zinc/33/21/82/1066332182.db2.gz OQTHWDQMYCENOH-QGZVFWFLSA-N 0 0 454.246 4.542 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O ZINC001361088734 1066332643 /nfs/dbraw/zinc/33/26/43/1066332643.db2.gz ZSNLTLHXTLMAEQ-HXUWFJFHSA-N 0 0 497.105 4.701 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)CCc2cccc3c2OCO3)NC(=O)OC(C)(C)C)cc1 ZINC001443585806 1066333045 /nfs/dbraw/zinc/33/30/45/1066333045.db2.gz PAPGJRWMOADJMH-NRFANRHFSA-N 0 0 454.567 4.854 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001443585763 1066333107 /nfs/dbraw/zinc/33/31/07/1066333107.db2.gz HPZKUNCHGCPIHC-HNNXBMFYSA-N 0 0 458.436 4.856 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001454775699 1066333127 /nfs/dbraw/zinc/33/31/27/1066333127.db2.gz LXLQVQNXSBLUSK-MSOLQXFVSA-N 0 0 458.521 4.730 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC(C)(C)C2)n1CCCC(=O)N(C)C ZINC001361088820 1066333228 /nfs/dbraw/zinc/33/32/28/1066333228.db2.gz LWRAPQRPTGRWDI-UHFFFAOYSA-N 0 0 476.065 4.746 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnc(C)s1)OC ZINC001545960318 1066333268 /nfs/dbraw/zinc/33/32/68/1066333268.db2.gz AXHJDOVDSYTETH-MRXNPFEDSA-N 0 0 450.406 4.534 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)n1 ZINC001454780194 1066333565 /nfs/dbraw/zinc/33/35/65/1066333565.db2.gz CGBPTAGHJUOTBM-UHFFFAOYSA-N 0 0 451.592 4.838 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@]1(C)COCCO1 ZINC001361088971 1066333626 /nfs/dbraw/zinc/33/36/26/1066333626.db2.gz NYZAPOTVKNEZPW-AOUJKTHWSA-N 0 0 477.049 4.682 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001454789940 1066334265 /nfs/dbraw/zinc/33/42/65/1066334265.db2.gz UJBPKXVVCSFQQD-UHFFFAOYSA-N 0 0 458.686 4.621 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccco2)C1)OC ZINC001545960437 1066334567 /nfs/dbraw/zinc/33/45/67/1066334567.db2.gz CWGYAOMKEUBUQP-KBPBESRZSA-N 0 0 451.390 4.781 20 0 JJADRN COc1ccccc1-c1nc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1 ZINC001454814228 1066334721 /nfs/dbraw/zinc/33/47/21/1066334721.db2.gz FWLLVMIAEWJNIJ-BJWYYQGGSA-N 0 0 457.596 4.727 20 0 JJADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC001454818919 1066334742 /nfs/dbraw/zinc/33/47/42/1066334742.db2.gz CTOXDQWIXCLVNI-JOCHJYFZSA-N 0 0 452.599 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cnc(Cc3ccc(F)cc3)s1)C2 ZINC001454816508 1066334806 /nfs/dbraw/zinc/33/48/06/1066334806.db2.gz MCROHMBYMPUDFY-GGPHIMKMSA-N 0 0 459.587 4.781 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC4(CCCCCC4)[C@H]3C(C)C)cc(C(C)C)nc21 ZINC001454822262 1066335170 /nfs/dbraw/zinc/33/51/70/1066335170.db2.gz KGGCLKOUADCCKE-OAQYLSRUSA-N 0 0 454.615 4.852 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCC(=O)NC(C)(C)C ZINC001361089253 1066335200 /nfs/dbraw/zinc/33/52/00/1066335200.db2.gz RGNUABUMFSGHMM-PZJWPPBQSA-N 0 0 488.076 4.935 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@]1(O)CCSC1 ZINC001361089231 1066335228 /nfs/dbraw/zinc/33/52/28/1066335228.db2.gz QYHNAKWXGPORBN-RHGYRFJNSA-N 0 0 479.090 4.602 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)CC1 ZINC001454826795 1066335681 /nfs/dbraw/zinc/33/56/81/1066335681.db2.gz VTSHXRUXDXGASF-XMMPIXPASA-N 0 0 455.643 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC001454824105 1066335839 /nfs/dbraw/zinc/33/58/39/1066335839.db2.gz YHIQWJIYVBLJEP-QAQDUYKDSA-N 0 0 452.580 4.634 20 0 JJADRN CN(C(=O)c1cc(OCc2ccccc2)ccc1O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001443603472 1066335616 /nfs/dbraw/zinc/33/56/16/1066335616.db2.gz SYWIKTZRPOVGKC-QFIPXVFZSA-N 0 0 450.922 4.502 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC001443603488 1066335658 /nfs/dbraw/zinc/33/56/58/1066335658.db2.gz UAEOXGYGKHOWGO-INIZCTEOSA-N 0 0 456.543 4.502 20 0 JJADRN CCN(C(=O)COCCNC(=O)OC(C)(C)C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001443602374 1066335735 /nfs/dbraw/zinc/33/57/35/1066335735.db2.gz JGDOVKCSUGEUPX-DEOSSOPVSA-N 0 0 455.599 4.684 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001443604324 1066336221 /nfs/dbraw/zinc/33/62/21/1066336221.db2.gz WYSVPASEJULGRJ-UHFFFAOYSA-N 0 0 458.559 4.796 20 0 JJADRN CCN(C(=O)C[C@H](NC(N)=O)c1cccc(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443604380 1066336439 /nfs/dbraw/zinc/33/64/39/1066336439.db2.gz MSNANZADBYGARE-UPVQGACJSA-N 0 0 450.970 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001454865298 1066336788 /nfs/dbraw/zinc/33/67/88/1066336788.db2.gz CVIJCJQGDDHMSW-NRFANRHFSA-N 0 0 456.970 4.950 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2C)n1CCc1nccnc1C ZINC001361089561 1066336722 /nfs/dbraw/zinc/33/67/22/1066336722.db2.gz XJGOIIYZMYVXDZ-SFHVURJKSA-N 0 0 455.006 4.581 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001361089581 1066336738 /nfs/dbraw/zinc/33/67/38/1066336738.db2.gz XXAPBMMOZHAVOQ-SIBVEZHUSA-N 0 0 491.076 4.929 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001443612146 1066337391 /nfs/dbraw/zinc/33/73/91/1066337391.db2.gz CZRQUXSNONZENM-UQBPGWFLSA-N 0 0 459.587 4.830 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC3(C2)CCOCC3)n1C[C@@](C)(O)C(C)C ZINC001361089666 1066337577 /nfs/dbraw/zinc/33/75/77/1066337577.db2.gz ZIENBIFRENARFE-RUZDIDTESA-N 0 0 491.076 4.665 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)CC2)n1C[C@]1(C)COCCO1 ZINC001361089681 1066337592 /nfs/dbraw/zinc/33/75/92/1066337592.db2.gz ZRCUJBLVINAOOQ-UQBPGWFLSA-N 0 0 477.049 4.683 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C ZINC001492598027 1066337904 /nfs/dbraw/zinc/33/79/04/1066337904.db2.gz GEJXEGMCWYXGHT-UHFFFAOYSA-N 0 0 467.614 4.902 20 0 JJADRN CCCN(C(=O)c1ccc(NCCc2ccccn2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443620152 1066338170 /nfs/dbraw/zinc/33/81/70/1066338170.db2.gz DEBOPYTVGTWUHB-QHCPKHFHSA-N 0 0 452.599 4.598 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC1(O)CCC1 ZINC001361090174 1066338274 /nfs/dbraw/zinc/33/82/74/1066338274.db2.gz CAYNBYVNSOXAIC-LJQANCHMSA-N 0 0 477.049 4.560 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[C@@H]1CCOC1 ZINC001361090406 1066338838 /nfs/dbraw/zinc/33/88/38/1066338838.db2.gz COYRBIIHGBIDAQ-OFNKIYASSA-N 0 0 477.049 4.539 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnn(CCOC)c2)C1 ZINC001546066091 1066339082 /nfs/dbraw/zinc/33/90/82/1066339082.db2.gz GTGWWEHXANXMQP-SANMLTNESA-N 0 0 450.631 4.760 20 0 JJADRN C[C@](Cc1cccc(Br)c1)(NC(=O)c1ccc2c(n1)OCCO2)c1ccccc1 ZINC001361090725 1066339475 /nfs/dbraw/zinc/33/94/75/1066339475.db2.gz JSNRQGGAJBPVNV-HSZRJFAPSA-N 0 0 453.336 4.503 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N1CC[C@H](CSc2ccccc2)C1 ZINC001361090826 1066339504 /nfs/dbraw/zinc/33/95/04/1066339504.db2.gz RHUBCUOMQNYGAS-LBPRGKRZSA-N 0 0 456.203 4.861 20 0 JJADRN COc1cc(/C=C/C(=O)Nc2ccc(OCc3ccncc3)cc2)cc(Br)c1O ZINC001443628276 1066339506 /nfs/dbraw/zinc/33/95/06/1066339506.db2.gz CDZFIPCGDLIFEX-FARCUNLSSA-N 0 0 455.308 4.789 20 0 JJADRN Cc1cc(C)cc([C@H](C)NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 ZINC001443628283 1066339883 /nfs/dbraw/zinc/33/98/83/1066339883.db2.gz IALBWEPOOZWLGY-JTSKRJEESA-N 0 0 451.567 4.572 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001361090897 1066340109 /nfs/dbraw/zinc/34/01/09/1066340109.db2.gz LDGAZUFJUSTRFT-KSFYIVLOSA-N 0 0 459.493 4.860 20 0 JJADRN COc1nsc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1Br ZINC001443628706 1066340093 /nfs/dbraw/zinc/34/00/93/1066340093.db2.gz JCZYGUMBSABNQZ-GOSISDBHSA-N 0 0 459.365 4.759 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)C1 ZINC001546066339 1066340330 /nfs/dbraw/zinc/34/03/30/1066340330.db2.gz LFOMDMYASFSKQH-MGPUTAFESA-N 0 0 469.449 4.591 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c2ccccc2Cl)c(C)c1 ZINC001361091042 1066340535 /nfs/dbraw/zinc/34/05/35/1066340535.db2.gz MNODTIJPBMUDFD-DVECYGJZSA-N 0 0 452.938 4.739 20 0 JJADRN Cc1cc2c(CC(=O)N3C[C@@H](c4cnn(C)c4)C[C@H](C(=O)OC(C)(C)C)C3)csc2s1 ZINC001454903995 1066340884 /nfs/dbraw/zinc/34/08/84/1066340884.db2.gz CJEKTJFCCQAJDF-HOTGVXAUSA-N 0 0 459.637 4.521 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 ZINC001443633141 1066340985 /nfs/dbraw/zinc/34/09/85/1066340985.db2.gz MGTZTDPNDMKDHO-UHFFFAOYSA-N 0 0 457.937 4.502 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1 ZINC001361091388 1066341110 /nfs/dbraw/zinc/34/11/10/1066341110.db2.gz POVDFRAPPYDAKQ-UHFFFAOYSA-N 0 0 490.048 4.719 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCOC2)C1 ZINC001546066541 1066341279 /nfs/dbraw/zinc/34/12/79/1066341279.db2.gz QBYCZBAZYNFDGL-ZHRRBRCNSA-N 0 0 463.420 4.769 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546066451 1066341293 /nfs/dbraw/zinc/34/12/93/1066341293.db2.gz NXQXMLANYPKFIL-QFIPXVFZSA-N 0 0 460.504 4.632 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001546066511 1066341437 /nfs/dbraw/zinc/34/14/37/1066341437.db2.gz PNJALTFYADWBLN-SANMLTNESA-N 0 0 466.630 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001443635585 1066341314 /nfs/dbraw/zinc/34/13/14/1066341314.db2.gz NGJIFKIFNFLXQV-QGZVFWFLSA-N 0 0 458.580 4.842 20 0 JJADRN O=C(NCC[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)c2ccccc21)C(F)(F)F ZINC001454915403 1066342040 /nfs/dbraw/zinc/34/20/40/1066342040.db2.gz BYJBZTNVDBEYRS-MRXNPFEDSA-N 0 0 459.493 4.547 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1C[C@@](C)(O)c1ccco1 ZINC001361091784 1066342000 /nfs/dbraw/zinc/34/20/00/1066342000.db2.gz UJERAHNPOJNULS-MHECFPHRSA-N 0 0 491.057 4.694 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)CCN1CSCCSC1 ZINC001454921983 1066342516 /nfs/dbraw/zinc/34/25/16/1066342516.db2.gz KYBFSUFKMHHJBX-IBGZPJMESA-N 0 0 450.567 4.855 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(Br)C1)OC ZINC001545960777 1066342682 /nfs/dbraw/zinc/34/26/82/1066342682.db2.gz JMKIVHGLBXFFAS-GFCCVEGCSA-N 0 0 476.238 4.683 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)ccc1C(C)C 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AYCLZAIZDBOHMC-UHFFFAOYSA-N 0 0 453.593 4.690 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCCc2ccccc21 ZINC001361092961 1066344148 /nfs/dbraw/zinc/34/41/48/1066344148.db2.gz CNGNHQANWOAQCV-UHFFFAOYSA-N 0 0 456.329 4.890 20 0 JJADRN O=C(NCC[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)o2)c2ccccc21)C(F)(F)F ZINC001454937608 1066344075 /nfs/dbraw/zinc/34/40/75/1066344075.db2.gz WNULBIONQAWBDR-JTQLQIEISA-N 0 0 452.376 4.704 20 0 JJADRN O=C(CNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)N1CCCc2ccccc21 ZINC001361094145 1066344325 /nfs/dbraw/zinc/34/43/25/1066344325.db2.gz UWWKYRXDRDTOSA-DEOSSOPVSA-N 0 0 452.526 4.894 20 0 JJADRN CCCO[C@@H](C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1C ZINC001361093763 1066344476 /nfs/dbraw/zinc/34/44/76/1066344476.db2.gz OQCGXOMNQAETQW-KBMIEXCESA-N 0 0 455.574 4.736 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(F)(F)c2ccc(Br)cc2)C1 ZINC001361094135 1066344649 /nfs/dbraw/zinc/34/46/49/1066344649.db2.gz UHJBTZRQLFDTPS-HNNXBMFYSA-N 0 0 459.718 4.598 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1OC ZINC001443647687 1066344511 /nfs/dbraw/zinc/34/45/11/1066344511.db2.gz MVPGOFMIOHKBPB-UHFFFAOYSA-N 0 0 451.592 4.906 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001443646735 1066344648 /nfs/dbraw/zinc/34/46/48/1066344648.db2.gz BLKYLPHNSRQTLE-UHFFFAOYSA-N 0 0 459.612 4.528 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC(C)C)C1 ZINC001546066657 1066344793 /nfs/dbraw/zinc/34/47/93/1066344793.db2.gz SBZQMRNACSARKZ-QFIPXVFZSA-N 0 0 462.436 4.557 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001361094616 1066344931 /nfs/dbraw/zinc/34/49/31/1066344931.db2.gz FFYSGBNOLGSGCR-QFIPXVFZSA-N 0 0 483.657 4.752 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001361094529 1066344978 /nfs/dbraw/zinc/34/49/78/1066344978.db2.gz BXUURWPGOONEHS-HXUWFJFHSA-N 0 0 471.621 4.614 20 0 JJADRN O=Cc1ccc(OCC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(Br)c1 ZINC001443651619 1066345221 /nfs/dbraw/zinc/34/52/21/1066345221.db2.gz LJGBXDPMUWYHCU-OAHLLOKOSA-N 0 0 457.324 4.574 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nccnc2C)C1 ZINC001546066828 1066345123 /nfs/dbraw/zinc/34/51/23/1066345123.db2.gz WCHFLWXXWAHAKO-FQEVSTJZSA-N 0 0 461.433 4.737 20 0 JJADRN Cc1cc(F)ccc1CCn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001361095056 1066345473 /nfs/dbraw/zinc/34/54/73/1066345473.db2.gz CKIWIILEGQOFEY-UHFFFAOYSA-N 0 0 469.630 4.680 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962896 1066345548 /nfs/dbraw/zinc/34/55/48/1066345548.db2.gz DABXTXCCDWYDOA-WQTXXOFMSA-N 0 0 474.985 4.635 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCC2CC2)C1)OC ZINC001545960881 1066345794 /nfs/dbraw/zinc/34/57/94/1066345794.db2.gz LLDVQZYVTMKPQP-PMACEKPBSA-N 0 0 463.420 4.528 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962892 1066345756 /nfs/dbraw/zinc/34/57/56/1066345756.db2.gz DABXTXCCDWYDOA-URZJWIJPSA-N 0 0 474.985 4.635 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)C)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001361095746 1066345862 /nfs/dbraw/zinc/34/58/62/1066345862.db2.gz YWCMKZFQFXAIHF-XZOQPEGZSA-N 0 0 485.648 4.906 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 ZINC001361095372 1066345902 /nfs/dbraw/zinc/34/59/02/1066345902.db2.gz UMXVBQRLBFGSJG-UHFFFAOYSA-N 0 0 487.402 4.886 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Cc2ccsc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001361095769 1066346081 /nfs/dbraw/zinc/34/60/81/1066346081.db2.gz ZKAGNWXKHDIIHK-UHFFFAOYSA-N 0 0 468.520 4.514 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)Cc1cccc(C)c1 ZINC001443665240 1066346122 /nfs/dbraw/zinc/34/61/22/1066346122.db2.gz GDNGNKZONNFZFR-HNNXBMFYSA-N 0 0 458.274 4.538 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001361095801 1066346379 /nfs/dbraw/zinc/34/63/79/1066346379.db2.gz 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ZINC001454971613 1066348398 /nfs/dbraw/zinc/34/83/98/1066348398.db2.gz WTXZYKYEMQFULO-HXUWFJFHSA-N 0 0 452.801 4.970 20 0 JJADRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Cc2cc(Cl)cc3c2OCC3)cc1 ZINC001443680941 1066348963 /nfs/dbraw/zinc/34/89/63/1066348963.db2.gz YGKNPMHLIRWOHF-UHFFFAOYSA-N 0 0 453.970 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)[C@H](O)C1 ZINC001454978894 1066349277 /nfs/dbraw/zinc/34/92/77/1066349277.db2.gz QHSZMARGZGSINF-VFPWRSFOSA-N 0 0 456.970 4.507 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)c3cccc(C)c3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001361099171 1066349450 /nfs/dbraw/zinc/34/94/50/1066349450.db2.gz BSHDMZWIHSYYHE-MHECFPHRSA-N 0 0 455.628 4.964 20 0 JJADRN O=C(CNC(=O)OCc1ccccc1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001443684928 1066349942 /nfs/dbraw/zinc/34/99/42/1066349942.db2.gz CLNJFQQLXILNIL-UHFFFAOYSA-N 0 0 450.457 4.783 20 0 JJADRN CC[C@H](C[C@H](C)O)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001454984164 1066350069 /nfs/dbraw/zinc/35/00/69/1066350069.db2.gz SQJIJSUYJYKOCJ-RBUKOAKNSA-N 0 0 450.579 4.504 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001443685999 1066350336 /nfs/dbraw/zinc/35/03/36/1066350336.db2.gz HDPOIOPJBXLJGB-JWQCQUIFSA-N 0 0 458.558 4.970 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454999686 1066350477 /nfs/dbraw/zinc/35/04/77/1066350477.db2.gz GFCTUXQOPFOQGO-MJGOQNOKSA-N 0 0 450.530 4.849 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454999676 1066350685 /nfs/dbraw/zinc/35/06/85/1066350685.db2.gz GFCTUXQOPFOQGO-HKUYNNGSSA-N 0 0 450.530 4.849 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001443690279 1066351056 /nfs/dbraw/zinc/35/10/56/1066351056.db2.gz RJTUNDFGJSGFKH-UHFFFAOYSA-N 0 0 454.876 4.940 20 0 JJADRN Cc1ccc(NC(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)cc1C(=O)c1ccccc1 ZINC001455001915 1066351080 /nfs/dbraw/zinc/35/10/80/1066351080.db2.gz FLXIZGBHRXXODW-IBVKSMDESA-N 0 0 452.551 4.627 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC001361102021 1066351486 /nfs/dbraw/zinc/35/14/86/1066351486.db2.gz WDFAMDNFFFUNID-SCTDSRPQSA-N 0 0 470.561 4.625 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001545961189 1066351514 /nfs/dbraw/zinc/35/15/14/1066351514.db2.gz QLQWIOXRJWEGCU-QFBILLFUSA-N 0 0 493.837 4.861 20 0 JJADRN C[C@H](CC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697393 1066352081 /nfs/dbraw/zinc/35/20/81/1066352081.db2.gz GAUXPEVJIZIQRX-RZUBCFFCSA-N 0 0 459.631 4.692 20 0 JJADRN C[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455007902 1066352507 /nfs/dbraw/zinc/35/25/07/1066352507.db2.gz ORPOLBQDSPDLPL-SJORKVTESA-N 0 0 459.587 4.656 20 0 JJADRN O=C(Nc1ccnn1CC1CCC1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001455006768 1066352520 /nfs/dbraw/zinc/35/25/20/1066352520.db2.gz PGDQWUFRQBDJIC-UHFFFAOYSA-N 0 0 450.352 4.563 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001455006266 1066352566 /nfs/dbraw/zinc/35/25/66/1066352566.db2.gz PRLFPHYMANVSKM-VQTJNVASSA-N 0 0 459.587 4.956 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC001443698868 1066352597 /nfs/dbraw/zinc/35/25/97/1066352597.db2.gz ISRGPFAHIHLVML-QFIPXVFZSA-N 0 0 453.384 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001455009138 1066352986 /nfs/dbraw/zinc/35/29/86/1066352986.db2.gz VVAZHHPQORRZFX-KGLIPLIRSA-N 0 0 454.390 4.606 20 0 JJADRN O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001455009269 1066353049 /nfs/dbraw/zinc/35/30/49/1066353049.db2.gz PMBHPBGNEDACQK-QAQDUYKDSA-N 0 0 453.951 4.533 20 0 JJADRN CC[C@@]1(C(=O)Nc2cccc(CSCCC(=O)OC)c2)CCCN1C(=O)OC(C)(C)C ZINC001443701371 1066353317 /nfs/dbraw/zinc/35/33/17/1066353317.db2.gz DYQZTEODIZJGEZ-QHCPKHFHSA-N 0 0 450.601 4.601 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361103297 1066353422 /nfs/dbraw/zinc/35/34/22/1066353422.db2.gz ZGKSSOYGZNXPSH-UHFFFAOYSA-N 0 0 450.587 4.597 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC001455010180 1066353579 /nfs/dbraw/zinc/35/35/79/1066353579.db2.gz PKGAZXQCYVTTAO-GOSISDBHSA-N 0 0 453.564 4.929 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)N1CC[C@H](CC(C)C)C1 ZINC001361104785 1066353670 /nfs/dbraw/zinc/35/36/70/1066353670.db2.gz SXONLYAWLLZLFD-GFCCVEGCSA-N 0 0 450.158 4.870 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccccc4Cl)n3CCOC(C)C)CC2)nc(C(C)C)n1 ZINC001361105314 1066354222 /nfs/dbraw/zinc/35/42/22/1066354222.db2.gz DTWYHVTZIMWZMN-UHFFFAOYSA-N 0 0 484.048 4.572 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC001455018346 1066354213 /nfs/dbraw/zinc/35/42/13/1066354213.db2.gz WVKBZCFRHMAIOL-KRWDZBQOSA-N 0 0 458.386 4.689 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c1 ZINC001443704312 1066354150 /nfs/dbraw/zinc/35/41/50/1066354150.db2.gz SEAHMNNYPJWYHD-HXUWFJFHSA-N 0 0 450.608 4.613 20 0 JJADRN Cc1cc(N2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)C)CC2)nc(C(C)C)n1 ZINC001361105366 1066354368 /nfs/dbraw/zinc/35/43/68/1066354368.db2.gz HOWGJYAHBZDTPG-FYYLOGMGSA-N 0 0 483.705 4.791 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)NCC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c21 ZINC001443704813 1066354507 /nfs/dbraw/zinc/35/45/07/1066354507.db2.gz MSUSLEAAOMAQDI-CQSZACIVSA-N 0 0 450.377 4.616 20 0 JJADRN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001455034433 1066354529 /nfs/dbraw/zinc/35/45/29/1066354529.db2.gz SCLRWRDGTCFWRY-MRXNPFEDSA-N 0 0 450.295 4.805 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)C)CC2)nc(C(C)C)n1 ZINC001361105562 1066354846 /nfs/dbraw/zinc/35/48/46/1066354846.db2.gz OOCXEPSDMKCKAD-UHFFFAOYSA-N 0 0 469.037 4.588 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443705531 1066354963 /nfs/dbraw/zinc/35/49/63/1066354963.db2.gz PRTUPVHGVCWADW-LSDHHAIUSA-N 0 0 457.434 4.693 20 0 JJADRN O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NCC(=O)c1ccc(F)c2ccccc12 ZINC001455041780 1066355284 /nfs/dbraw/zinc/35/52/84/1066355284.db2.gz JOXYBOLHMWTBHO-SANMLTNESA-N 0 0 457.501 4.981 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2Cc2cnccc2OC)C1 ZINC001546067847 1066355345 /nfs/dbraw/zinc/35/53/45/1066355345.db2.gz CQRGUPDGZPMWMG-QFIPXVFZSA-N 0 0 456.388 4.786 20 0 JJADRN C[C@@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1Cl ZINC001443706776 1066355287 /nfs/dbraw/zinc/35/52/87/1066355287.db2.gz BQUOBCCPICGRTH-CZEOPBCSSA-N 0 0 456.675 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001443706252 1066355432 /nfs/dbraw/zinc/35/54/32/1066355432.db2.gz UKUFTQMFUOUBRP-KSSFIOAISA-N 0 0 459.414 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361106434 1066355404 /nfs/dbraw/zinc/35/54/04/1066355404.db2.gz FOMCJIFWUNMPOZ-VQTJNVASSA-N 0 0 481.597 4.726 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361106097 1066355423 /nfs/dbraw/zinc/35/54/23/1066355423.db2.gz BAVRXEVUDRWXPG-UXHICEINSA-N 0 0 469.630 4.673 20 0 JJADRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC001443714325 1066356025 /nfs/dbraw/zinc/35/60/25/1066356025.db2.gz CJPMNHXNFLCPFN-CAPFRKAQSA-N 0 0 451.611 4.830 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361106744 1066356141 /nfs/dbraw/zinc/35/61/41/1066356141.db2.gz HKYNDEZTWVMGAR-RTWAWAEBSA-N 0 0 494.640 4.505 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361107332 1066356397 /nfs/dbraw/zinc/35/63/97/1066356397.db2.gz MMJVSTTXNCGRQO-NHCUHLMSSA-N 0 0 467.658 4.700 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3cc(C(F)(F)F)ccc3NC)CC2)nc1C ZINC001455059330 1066356845 /nfs/dbraw/zinc/35/68/45/1066356845.db2.gz LATQLBYLBOQSGW-UHFFFAOYSA-N 0 0 455.502 4.709 20 0 JJADRN O=C(c1ccc(OC2CCOCC2)cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443722764 1066356740 /nfs/dbraw/zinc/35/67/40/1066356740.db2.gz ARULCMSNAOGUKA-NRFANRHFSA-N 0 0 454.325 4.904 20 0 JJADRN CN(C(=O)CNC(=O)c1ccccc1Cl)[C@H]1CCSc2ccc(Br)cc21 ZINC001443722906 1066356891 /nfs/dbraw/zinc/35/68/91/1066356891.db2.gz GUHVLXXYNFQCDC-INIZCTEOSA-N 0 0 453.789 4.528 20 0 JJADRN Nc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC(F)(F)F ZINC001443723039 1066356985 /nfs/dbraw/zinc/35/69/85/1066356985.db2.gz BYNHNSLNOGBMPB-INIZCTEOSA-N 0 0 453.219 4.827 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)c1 ZINC001361107830 1066356831 /nfs/dbraw/zinc/35/68/31/1066356831.db2.gz QPESSQJRDOYBEM-RDJZCZTQSA-N 0 0 476.444 4.753 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)c1 ZINC001361107947 1066356877 /nfs/dbraw/zinc/35/68/77/1066356877.db2.gz RRFRUTOIFBGIHC-SFHVURJKSA-N 0 0 450.974 4.744 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361108381 1066357314 /nfs/dbraw/zinc/35/73/14/1066357314.db2.gz XDAGJYQWMDJDDA-VQTJNVASSA-N 0 0 457.619 4.623 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001455079193 1066357693 /nfs/dbraw/zinc/35/76/93/1066357693.db2.gz ODHAOVXPULSXIL-UJUVCNOISA-N 0 0 458.480 4.927 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCc1ncc(Br)s1 ZINC001455074178 1066357819 /nfs/dbraw/zinc/35/78/19/1066357819.db2.gz GFAMXBLATVQWQP-UHFFFAOYSA-N 0 0 451.773 4.997 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361109586 1066357965 /nfs/dbraw/zinc/35/79/65/1066357965.db2.gz BROTZERDEJOHFW-VQTJNVASSA-N 0 0 471.646 4.797 20 0 JJADRN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443725919 1066358134 /nfs/dbraw/zinc/35/81/34/1066358134.db2.gz KEJQVIYFLNHRDY-HNNXBMFYSA-N 0 0 453.219 4.682 20 0 JJADRN CC1(C)CC[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)[C@@H](c2ccccc2)C1 ZINC001455083739 1066358378 /nfs/dbraw/zinc/35/83/78/1066358378.db2.gz JEIKPAXZAYNQAZ-VWNXMTODSA-N 0 0 453.602 4.662 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C ZINC001443728136 1066358377 /nfs/dbraw/zinc/35/83/77/1066358377.db2.gz HZGJKQDWCHEQHI-AWEZNQCLSA-N 0 0 453.461 4.689 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361109693 1066358384 /nfs/dbraw/zinc/35/83/84/1066358384.db2.gz DNRUUYVTKQWCBG-PDFGSZSQSA-N 0 0 492.611 4.822 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361109695 1066358411 /nfs/dbraw/zinc/35/84/11/1066358411.db2.gz DNRUUYVTKQWCBG-UGCAPWQASA-N 0 0 492.611 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001361109709 1066358574 /nfs/dbraw/zinc/35/85/74/1066358574.db2.gz DRUOSXXPHSLKSE-LJQANCHMSA-N 0 0 470.639 4.542 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC001443727099 1066358432 /nfs/dbraw/zinc/35/84/32/1066358432.db2.gz HGKIPQOODCMDAH-CYBMUJFWSA-N 0 0 450.377 4.696 20 0 JJADRN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443727488 1066358477 /nfs/dbraw/zinc/35/84/77/1066358477.db2.gz LOFPWKSIKLTZHX-KKSFZXQISA-N 0 0 454.325 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCc4ccc(Br)cc43)cc2C1 ZINC001443727042 1066358546 /nfs/dbraw/zinc/35/85/46/1066358546.db2.gz TUDONCWSSUVNQY-UHFFFAOYSA-N 0 0 457.368 4.945 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CCC(C(F)(F)F)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110158 1066358756 /nfs/dbraw/zinc/35/87/56/1066358756.db2.gz LVZVMSWDLNNAQM-CYFREDJKSA-N 0 0 496.574 4.873 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109853 1066358841 /nfs/dbraw/zinc/35/88/41/1066358841.db2.gz HPZXJXOHWXKAHS-NZQKXSOJSA-N 0 0 479.673 4.768 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001443728158 1066358849 /nfs/dbraw/zinc/35/88/49/1066358849.db2.gz ICHCEGNRVQNMAU-QFIPXVFZSA-N 0 0 452.595 4.832 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](Cc2ccccc2)C1)OC ZINC001545961474 1066358935 /nfs/dbraw/zinc/35/89/35/1066358935.db2.gz WESQYGAXVBCPDF-QZTJIDSGSA-N 0 0 491.455 4.642 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)c1 ZINC001361110344 1066359205 /nfs/dbraw/zinc/35/92/05/1066359205.db2.gz NAJYSBOCNZRKFN-FUDKSRODSA-N 0 0 499.656 4.741 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001361110368 1066359431 /nfs/dbraw/zinc/35/94/31/1066359431.db2.gz NISWBTKYCRJXRZ-LADGPHEKSA-N 0 0 480.657 4.700 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC001443729605 1066359443 /nfs/dbraw/zinc/35/94/43/1066359443.db2.gz PSMUPYLTDLYVKU-FQEVSTJZSA-N 0 0 452.288 4.979 20 0 JJADRN COCCN(CC(=O)OC(C)(C)C)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC001443730084 1066359501 /nfs/dbraw/zinc/35/95/01/1066359501.db2.gz WMLOCPMRVYHCAG-UHFFFAOYSA-N 0 0 452.576 4.907 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)[C@H]1CCc2n[nH]cc2C1 ZINC001455088131 1066359571 /nfs/dbraw/zinc/35/95/71/1066359571.db2.gz YUPLIHMRAGWXMU-ZDUSSCGKSA-N 0 0 459.287 4.550 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001361110599 1066359994 /nfs/dbraw/zinc/35/99/94/1066359994.db2.gz QMLKQFSJKKMNPC-FQEVSTJZSA-N 0 0 480.016 4.600 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)c(C)nc2c1 ZINC001455097129 1066359824 /nfs/dbraw/zinc/35/98/24/1066359824.db2.gz JKLCFLZZWABGCD-SANMLTNESA-N 0 0 455.599 4.955 20 0 JJADRN Cc1ccccc1OCCCNC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001443731471 1066360021 /nfs/dbraw/zinc/36/00/21/1066360021.db2.gz MWQHPVAHDLTAEI-NRFANRHFSA-N 0 0 455.599 4.995 20 0 JJADRN O=C(c1cc(Br)cnc1OCC1CC1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001443734162 1066360827 /nfs/dbraw/zinc/36/08/27/1066360827.db2.gz WQCSVQIWBYRUJW-SFHVURJKSA-N 0 0 451.748 4.500 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3ccsc3)CC2)c1 ZINC001361111009 1066360779 /nfs/dbraw/zinc/36/07/79/1066360779.db2.gz VLQUQPNGXYATCO-OAQYLSRUSA-N 0 0 453.656 4.636 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC001361110840 1066360806 /nfs/dbraw/zinc/36/08/06/1066360806.db2.gz LQNSLJIJQYLEGW-SFHVURJKSA-N 0 0 457.979 4.820 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001361111013 1066360955 /nfs/dbraw/zinc/36/09/55/1066360955.db2.gz VMMYHDKTRPRPOA-OALUTQOASA-N 0 0 493.599 4.779 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)C2)c1 ZINC001455101297 1066361098 /nfs/dbraw/zinc/36/10/98/1066361098.db2.gz LPSUXHRNZLENLH-LVXARBLLSA-N 0 0 457.615 4.586 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361111208 1066361194 /nfs/dbraw/zinc/36/11/94/1066361194.db2.gz XNFZAOJNFOIYOY-FYYLOGMGSA-N 0 0 497.684 4.568 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)c1 ZINC001361111411 1066361255 /nfs/dbraw/zinc/36/12/55/1066361255.db2.gz ZKESJZXCMWYPEZ-FPOVZHCZSA-N 0 0 482.629 4.727 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361111193 1066361370 /nfs/dbraw/zinc/36/13/70/1066361370.db2.gz XIHUFHIXSVLTTP-IFMALSPDSA-N 0 0 483.657 4.748 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001455103613 1066361573 /nfs/dbraw/zinc/36/15/73/1066361573.db2.gz VKKZPFCYJLPRNL-IBVKSMDESA-N 0 0 454.615 4.721 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001455103850 1066361679 /nfs/dbraw/zinc/36/16/79/1066361679.db2.gz WHAXQWJYUOSMRV-CRICUBBOSA-N 0 0 454.652 4.780 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CCC2CCN(CC(F)(F)F)CC2)c1 ZINC001361111788 1066361944 /nfs/dbraw/zinc/36/19/44/1066361944.db2.gz BRCGYEXOWIZJMQ-UHFFFAOYSA-N 0 0 490.574 4.761 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1 ZINC001492598159 1066361964 /nfs/dbraw/zinc/36/19/64/1066361964.db2.gz KBBHVIINANIPFK-UHFFFAOYSA-N 0 0 470.017 4.902 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)CCSc2nc3ccccc3s2)n1 ZINC001443741804 1066361880 /nfs/dbraw/zinc/36/18/80/1066361880.db2.gz BSDSGYCCAHFMTO-UHFFFAOYSA-N 0 0 452.561 4.780 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N[C@@H]3COc4cccc(Br)c4C3)c(C)c2c1 ZINC001455108536 1066361923 /nfs/dbraw/zinc/36/19/23/1066361923.db2.gz JZBKMSLTVBFDNI-INIZCTEOSA-N 0 0 456.336 4.759 20 0 JJADRN COc1ccc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)cc1C(=O)c1ccccc1 ZINC001455107656 1066362155 /nfs/dbraw/zinc/36/21/55/1066362155.db2.gz HHJLESUWDUNATI-BFUOFWGJSA-N 0 0 458.440 4.683 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001361111826 1066362255 /nfs/dbraw/zinc/36/22/55/1066362255.db2.gz COZCPNQFIARUBV-ROUUACIJSA-N 0 0 488.430 4.674 20 0 JJADRN COc1cc(F)c(C(=O)N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c(Cl)c1 ZINC001455109711 1066362388 /nfs/dbraw/zinc/36/23/88/1066362388.db2.gz OKICDAQLGYYVSL-UHFFFAOYSA-N 0 0 450.894 4.870 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1ccc(OC3CCCC3)nc1)C2 ZINC001455109170 1066362496 /nfs/dbraw/zinc/36/24/96/1066362496.db2.gz NRPLCQWWNMIQCP-UHFFFAOYSA-N 0 0 453.539 4.785 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@H]2COc3cccc(Br)c3C2)c1-c1ccccc1 ZINC001455114018 1066362933 /nfs/dbraw/zinc/36/29/33/1066362933.db2.gz PALLKMXFRIJCGK-MRXNPFEDSA-N 0 0 454.368 4.801 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCCCNC(=O)c3ccccc3F)c3ccccc3n2)cc1 ZINC001361112961 1066364041 /nfs/dbraw/zinc/36/40/41/1066364041.db2.gz LHOMERLMSZWKGW-UHFFFAOYSA-N 0 0 457.505 4.599 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)c3cn(-c4cccc(Cl)c4F)nn3)ccn2)c1C ZINC001361112998 1066364070 /nfs/dbraw/zinc/36/40/70/1066364070.db2.gz MRRBLNNGEPLXLQ-UHFFFAOYSA-N 0 0 451.889 4.794 20 0 JJADRN CCn1cc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@@H]4CCC(C(C)C)=CC4=CC[C@H]23)c(=O)[nH]c1=O ZINC001455124015 1066364013 /nfs/dbraw/zinc/36/40/13/1066364013.db2.gz AAADJZWPAHFTTN-JRAXSAEOSA-N 0 0 453.627 4.720 20 0 JJADRN CCn1cc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@H]4CCC(C(C)C)=CC4=CC[C@@H]23)c(=O)[nH]c1=O ZINC001455124001 1066364155 /nfs/dbraw/zinc/36/41/55/1066364155.db2.gz AAADJZWPAHFTTN-BVZBTYANSA-N 0 0 453.627 4.720 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NCC(=O)CC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001455126258 1066364183 /nfs/dbraw/zinc/36/41/83/1066364183.db2.gz ORYQZHNDWWDQOF-XMSQKQJNSA-N 0 0 450.982 4.823 20 0 JJADRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1n[nH]c2ccc(Br)cc21 ZINC001546069064 1066364197 /nfs/dbraw/zinc/36/41/97/1066364197.db2.gz CLRUOFJAEKELGS-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)c3cncc4nc(C(F)(F)F)n(C)c43)ccn2)c1C ZINC001361113515 1066364401 /nfs/dbraw/zinc/36/44/01/1066364401.db2.gz ZZFADOQVXNUTNR-UHFFFAOYSA-N 0 0 455.440 4.721 20 0 JJADRN Cc1c[nH]c(C2(NC(=O)c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3O)CCC2)n1 ZINC001455138553 1066364546 /nfs/dbraw/zinc/36/45/46/1066364546.db2.gz WCYYENBTEAGFBI-UHFFFAOYSA-N 0 0 459.333 4.792 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccco2)c1 ZINC001361113664 1066364956 /nfs/dbraw/zinc/36/49/56/1066364956.db2.gz OPGBZEIHTVJDQF-QFIPXVFZSA-N 0 0 481.597 4.815 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)NC1(c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001455140731 1066365131 /nfs/dbraw/zinc/36/51/31/1066365131.db2.gz OSQKQWWHKSUOCR-UHFFFAOYSA-N 0 0 451.498 4.665 20 0 JJADRN COC(=O)c1ncoc1CNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001455142999 1066365347 /nfs/dbraw/zinc/36/53/47/1066365347.db2.gz DFOULDWBHFTRAM-UHFFFAOYSA-N 0 0 451.331 4.990 20 0 JJADRN O=C(NCCc1cccc(OCCCc2ccccc2)c1)c1cc(Br)c[nH]c1=O ZINC001443770171 1066365557 /nfs/dbraw/zinc/36/55/57/1066365557.db2.gz NDEVKJRMNXTWNG-UHFFFAOYSA-N 0 0 455.352 4.534 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)c1 ZINC001443769929 1066365611 /nfs/dbraw/zinc/36/56/11/1066365611.db2.gz JBYDBGXSZCLPAV-IBGZPJMESA-N 0 0 453.482 4.745 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H](C)c2ncc(C)s2)n1 ZINC001361113970 1066365462 /nfs/dbraw/zinc/36/54/62/1066365462.db2.gz YERZJMOOBCKIHW-SFHVURJKSA-N 0 0 479.654 4.532 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001361114143 1066365593 /nfs/dbraw/zinc/36/55/93/1066365593.db2.gz CANIJLVAPMPYLB-VKJFTORMSA-N 0 0 457.409 4.518 20 0 JJADRN C[C@H](CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)Oc1ccc(Br)cc1 ZINC001361114510 1066365805 /nfs/dbraw/zinc/36/58/05/1066365805.db2.gz LONBEVZEPZXWOB-MRXNPFEDSA-N 0 0 450.348 4.511 20 0 JJADRN C[C@@H](CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)Oc1ccc(Br)cc1 ZINC001361114509 1066365879 /nfs/dbraw/zinc/36/58/79/1066365879.db2.gz LONBEVZEPZXWOB-INIZCTEOSA-N 0 0 450.348 4.511 20 0 JJADRN O=C(NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F)c1coc(-c2ccccc2Cl)n1 ZINC001455149171 1066365846 /nfs/dbraw/zinc/36/58/46/1066365846.db2.gz DCQCRERDBFVQDR-SSEXGKCCSA-N 0 0 457.861 4.772 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCC(=O)c2sc3ccccc3c2Cl)CCN1C(=O)OC(C)(C)C ZINC001455158675 1066366211 /nfs/dbraw/zinc/36/62/11/1066366211.db2.gz KOQZUTRYGHJRIN-DZGCQCFKSA-N 0 0 450.988 4.889 20 0 JJADRN Cc1cc2cc(Cn3c(N4CCC[C@H](NC(=O)C(C)(C)C)C4)nnc3C(C)(C)C)ccc2[nH]1 ZINC001361115298 1066366380 /nfs/dbraw/zinc/36/63/80/1066366380.db2.gz FXOQDFHVOXKONO-FQEVSTJZSA-N 0 0 450.631 4.545 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3cccs3)CC2)cc1 ZINC001361115339 1066366599 /nfs/dbraw/zinc/36/65/99/1066366599.db2.gz GZNKUBSXLVLMAU-HXUWFJFHSA-N 0 0 465.667 4.787 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)cc3)CC2)s1 ZINC001361115329 1066366642 /nfs/dbraw/zinc/36/66/42/1066366642.db2.gz GUKSINWDJSQJSF-UHFFFAOYSA-N 0 0 481.666 4.743 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC001443774943 1066366641 /nfs/dbraw/zinc/36/66/41/1066366641.db2.gz YYQUDNMPNPKYJC-UHFFFAOYSA-N 0 0 458.605 4.621 20 0 JJADRN CC[C@H]1[C@@H](C(=O)NCC(=O)c2sc3ccccc3c2Cl)CCN1C(=O)OC(C)(C)C ZINC001455158715 1066366849 /nfs/dbraw/zinc/36/68/49/1066366849.db2.gz KOQZUTRYGHJRIN-ZFWWWQNUSA-N 0 0 450.988 4.889 20 0 JJADRN Cc1cc2cc(Cn3c(N4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)nnc3C(C)(C)C)ccc2[nH]1 ZINC001361115640 1066366970 /nfs/dbraw/zinc/36/69/70/1066366970.db2.gz PHCNBLVGXUXYPA-GOSISDBHSA-N 0 0 466.630 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)cn2)C1 ZINC001443779425 1066367572 /nfs/dbraw/zinc/36/75/72/1066367572.db2.gz RSTQCVTXIQQTMM-BKMJKUGQSA-N 0 0 452.599 4.649 20 0 JJADRN Cc1ccn2cc(Cn3c(-c4cc(Br)c[nH]4)nnc3N(C)CC(C)(C)C)nc2c1 ZINC001361116174 1066367382 /nfs/dbraw/zinc/36/73/82/1066367382.db2.gz ZVIRPDGDHDCLHW-UHFFFAOYSA-N 0 0 456.392 4.522 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCCCNC(=O)c1ccccc1F ZINC001361116293 1066367525 /nfs/dbraw/zinc/36/75/25/1066367525.db2.gz VUNICCJBJHRFOL-UHFFFAOYSA-N 0 0 450.297 4.646 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3cscc3C(F)(F)F)CC2)cc1 ZINC001361116482 1066367629 /nfs/dbraw/zinc/36/76/29/1066367629.db2.gz CRMRTLCCYLJIQL-UHFFFAOYSA-N 0 0 477.556 4.801 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001455166474 1066367624 /nfs/dbraw/zinc/36/76/24/1066367624.db2.gz VMLSGXIDIBACSN-UHFFFAOYSA-N 0 0 459.951 4.924 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1F ZINC001443777287 1066367587 /nfs/dbraw/zinc/36/75/87/1066367587.db2.gz VISHEWAEUHNGRH-JOCHJYFZSA-N 0 0 457.571 4.705 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC001361116739 1066367855 /nfs/dbraw/zinc/36/78/55/1066367855.db2.gz MXUNLYNAAWPCLL-NRFANRHFSA-N 0 0 473.612 4.963 20 0 JJADRN O=C(CN(Cc1cccnc1)C(=O)c1cnc(-c2ccco2)s1)Nc1ccc(Cl)cc1 ZINC001443785847 1066368108 /nfs/dbraw/zinc/36/81/08/1066368108.db2.gz FSFQBOSSXAPRIV-UHFFFAOYSA-N 0 0 452.923 4.733 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)CCNS(=O)(=O)c2ccccc2)c2cccs2)cc1 ZINC001455171818 1066368290 /nfs/dbraw/zinc/36/82/90/1066368290.db2.gz UEXJSMBJFKBZRW-DEOSSOPVSA-N 0 0 456.633 4.521 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3Cc3ccc(Cl)cc3)CC2)s1 ZINC001361117186 1066368490 /nfs/dbraw/zinc/36/84/90/1066368490.db2.gz BYEYRFZXVPSMNZ-UHFFFAOYSA-N 0 0 458.031 4.872 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)c1C ZINC001361117274 1066368551 /nfs/dbraw/zinc/36/85/51/1066368551.db2.gz CFHBQOPVICXLGQ-LJQANCHMSA-N 0 0 450.398 4.837 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCO[C@@H]3CCCC[C@H]3C)CC2)s1 ZINC001361117087 1066368611 /nfs/dbraw/zinc/36/86/11/1066368611.db2.gz ZXLJHTOJZVVLJA-TZIWHRDSSA-N 0 0 487.714 4.794 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001455186631 1066368657 /nfs/dbraw/zinc/36/86/57/1066368657.db2.gz JBBZEQRIXLJMLZ-WZOHSFFVSA-N 0 0 458.599 4.649 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001546069711 1066368798 /nfs/dbraw/zinc/36/87/98/1066368798.db2.gz STPBWASZVDXVEB-UHFFFAOYSA-N 0 0 456.424 4.730 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC(F)(F)c3ccccc3)CC2)s1 ZINC001361117867 1066368912 /nfs/dbraw/zinc/36/89/12/1066368912.db2.gz PHYLSAPEWFLPBG-UHFFFAOYSA-N 0 0 473.593 4.962 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@@]3(C)CCCS3)CC2)s1 ZINC001361117879 1066368992 /nfs/dbraw/zinc/36/89/92/1066368992.db2.gz PXJOUZNVLUIWOL-HSZRJFAPSA-N 0 0 461.701 4.531 20 0 JJADRN COc1ccc(CN(CCO)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC001455192230 1066369121 /nfs/dbraw/zinc/36/91/21/1066369121.db2.gz FLIVGOPJJDOOQS-UHFFFAOYSA-N 0 0 451.466 4.957 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)[nH]c3C)cc2)no1 ZINC001443789519 1066369172 /nfs/dbraw/zinc/36/91/72/1066369172.db2.gz REDQCNIKKYJCGW-UHFFFAOYSA-N 0 0 457.412 4.927 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)s2)cc1 ZINC001443802338 1066369412 /nfs/dbraw/zinc/36/94/12/1066369412.db2.gz LEEMOJWGOVBXRC-FQEVSTJZSA-N 0 0 452.580 4.950 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)C3=NOC4(CN(C(=O)OC(C)(C)C)C4)C3)CCCC2)cc1 ZINC001443796956 1066369474 /nfs/dbraw/zinc/36/94/74/1066369474.db2.gz CUJBQZAWBPDVKF-UHFFFAOYSA-N 0 0 455.599 4.504 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)s1 ZINC001361118186 1066369502 /nfs/dbraw/zinc/36/95/02/1066369502.db2.gz VDOJRLUHAHSIKU-UHFFFAOYSA-N 0 0 495.693 4.521 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1C ZINC001361118416 1066369907 /nfs/dbraw/zinc/36/99/07/1066369907.db2.gz WSOCOAGDEIZQQD-ZCYQVOJMSA-N 0 0 454.636 4.599 20 0 JJADRN COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001455196979 1066369909 /nfs/dbraw/zinc/36/99/09/1066369909.db2.gz WTNSARKYANWDBE-UHFFFAOYSA-N 0 0 451.991 4.566 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001455204054 1066370435 /nfs/dbraw/zinc/37/04/35/1066370435.db2.gz SRBBGXBIOYTJEL-TZIWHRDSSA-N 0 0 458.002 4.966 20 0 JJADRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccn(-c2cccc(Br)c2)n1 ZINC001361118955 1066370637 /nfs/dbraw/zinc/37/06/37/1066370637.db2.gz LCQPHPPAMXDPJL-OAHLLOKOSA-N 0 0 453.123 4.805 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)cc1Oc1ccncc1 ZINC001443812411 1066370603 /nfs/dbraw/zinc/37/06/03/1066370603.db2.gz FKQDQLUNOANTQL-YTTGMZPUSA-N 0 0 450.560 4.862 20 0 JJADRN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)C3 ZINC001455211735 1066370631 /nfs/dbraw/zinc/37/06/31/1066370631.db2.gz JBTCOXIWGVPMAK-UHFFFAOYSA-N 0 0 455.352 4.877 20 0 JJADRN O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001443812612 1066370672 /nfs/dbraw/zinc/37/06/72/1066370672.db2.gz BLEZRHGRZGHWKQ-KRWDZBQOSA-N 0 0 455.889 4.888 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)NCCc2cc(Cl)cc(Br)c2)cc1 ZINC001455207991 1066370692 /nfs/dbraw/zinc/37/06/92/1066370692.db2.gz MHTVNNKCISUJMY-UHFFFAOYSA-N 0 0 452.780 4.535 20 0 JJADRN CN(CC(=O)NCc1cccs1)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001443818638 1066371320 /nfs/dbraw/zinc/37/13/20/1066371320.db2.gz IAKSSCZVCITSTH-KGENOOAVSA-N 0 0 456.514 4.665 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N(CC(C)C)C2CCCC2)cc1 ZINC001361120785 1066371613 /nfs/dbraw/zinc/37/16/13/1066371613.db2.gz PEAVCDBBNHAMCV-UHFFFAOYSA-N 0 0 460.626 4.792 20 0 JJADRN CSc1ccc(N(C)C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)cc1 ZINC001443818961 1066371794 /nfs/dbraw/zinc/37/17/94/1066371794.db2.gz IXPNDSQKSKBVNJ-UHFFFAOYSA-N 0 0 451.548 4.812 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001361122087 1066372017 /nfs/dbraw/zinc/37/20/17/1066372017.db2.gz FAFVPVIQBGPLDZ-UHFFFAOYSA-N 0 0 458.324 4.843 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)CC2CCC(c3ccccc3)CC2)ccc1Cl ZINC001361121480 1066372114 /nfs/dbraw/zinc/37/21/14/1066372114.db2.gz KROAJMUHQSLWRA-UHFFFAOYSA-N 0 0 450.988 4.825 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC001443824333 1066372194 /nfs/dbraw/zinc/37/21/94/1066372194.db2.gz OQPCHGSRYVPSPG-UHFFFAOYSA-N 0 0 456.514 4.613 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC001443825097 1066372273 /nfs/dbraw/zinc/37/22/73/1066372273.db2.gz SYIZPOUMQLUCRD-HSZRJFAPSA-N 0 0 455.624 4.561 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1F ZINC001361122592 1066372322 /nfs/dbraw/zinc/37/23/22/1066372322.db2.gz LDYHQQGRLBYLLD-KJXAQDMKSA-N 0 0 499.675 4.947 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC001443824615 1066372456 /nfs/dbraw/zinc/37/24/56/1066372456.db2.gz QYCQMEDLKVVABE-MHZLTWQESA-N 0 0 454.361 4.577 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)CCCC2 ZINC001455224530 1066372365 /nfs/dbraw/zinc/37/23/65/1066372365.db2.gz JGLYHONLHIBJBN-HXUWFJFHSA-N 0 0 452.482 4.886 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](CC(C)C)C2)cc1F ZINC001361122377 1066372439 /nfs/dbraw/zinc/37/24/39/1066372439.db2.gz HVLSNYKVTZFRDM-BGWNEDDSSA-N 0 0 499.675 4.947 20 0 JJADRN COC(=O)[C@@H](CNC(=O)C1(c2ccc(C)c(C)c2)CCOCC1)Cc1cccc2ccccc21 ZINC001443827983 1066372701 /nfs/dbraw/zinc/37/27/01/1066372701.db2.gz ZNZKSOSQJYVEOW-XMMPIXPASA-N 0 0 459.586 4.653 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545962543 1066372827 /nfs/dbraw/zinc/37/28/27/1066372827.db2.gz FKCFHLZZFIUYFU-VXKWHMMOSA-N 0 0 495.624 4.598 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)C1(N(C(=O)OC(C)(C)C)C3CC3)CCC1)CCCC2 ZINC001455224711 1066372989 /nfs/dbraw/zinc/37/29/89/1066372989.db2.gz JRHXSNFCWOQFLC-HXUWFJFHSA-N 0 0 458.599 4.910 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(Br)ccc1OC(F)F ZINC001455225406 1066373003 /nfs/dbraw/zinc/37/30/03/1066373003.db2.gz LSIULSQLOPAMAP-CYBMUJFWSA-N 0 0 454.189 4.533 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccs2)cc1 ZINC001361123052 1066373071 /nfs/dbraw/zinc/37/30/71/1066373071.db2.gz TVZNTDGCVYDWTB-FGZHOGPDSA-N 0 0 481.666 4.633 20 0 JJADRN CC(C)n1ncc2cc(NC(=O)c3ncoc3C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001443830991 1066373156 /nfs/dbraw/zinc/37/31/56/1066373156.db2.gz MUDJJAYHVYODRL-UHFFFAOYSA-N 0 0 453.543 4.972 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(CCCOC(C)(C)C)CC3)c12 ZINC001455228244 1066373322 /nfs/dbraw/zinc/37/33/22/1066373322.db2.gz NPHABYJAVIKRDG-UHFFFAOYSA-N 0 0 457.663 4.581 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCC(F)(F)F)n2CC2(N3CCOCC3)CC2)c1 ZINC001361123456 1066373408 /nfs/dbraw/zinc/37/34/08/1066373408.db2.gz BMGNBCRUZAMHFF-UHFFFAOYSA-N 0 0 495.590 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCc1sccc1Br)c1ccccc1 ZINC001455227361 1066373597 /nfs/dbraw/zinc/37/35/97/1066373597.db2.gz UVZLGNXKGMZORM-FQEVSTJZSA-N 0 0 453.402 4.609 20 0 JJADRN O=C(NCCc1sccc1Br)c1cccc(OCc2cn3ccccc3n2)c1 ZINC001455229266 1066373615 /nfs/dbraw/zinc/37/36/15/1066373615.db2.gz YVIXWFYULQOLLO-UHFFFAOYSA-N 0 0 456.365 4.710 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)Nc2nnc3n(C)[nH]c(-c4ccccc4)c2-3)c1 ZINC001443830610 1066373485 /nfs/dbraw/zinc/37/34/85/1066373485.db2.gz CGAAHDPIGLBRSL-UHFFFAOYSA-N 0 0 454.328 4.765 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361123507 1066373838 /nfs/dbraw/zinc/37/38/38/1066373838.db2.gz CFQPIFHCGORXEX-UHFFFAOYSA-N 0 0 465.642 4.827 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3nccs3)n2C[C@]2(C)CCCO2)c1 ZINC001361123467 1066374018 /nfs/dbraw/zinc/37/40/18/1066374018.db2.gz BNCFAEQCKHUUAU-VWLOTQADSA-N 0 0 469.655 4.993 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)cc1OC ZINC001455231526 1066373889 /nfs/dbraw/zinc/37/38/89/1066373889.db2.gz SKKOMJCNSBPTFM-QGZVFWFLSA-N 0 0 456.764 4.753 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc2ccccc2c1 ZINC001443833995 1066373989 /nfs/dbraw/zinc/37/39/89/1066373989.db2.gz GFYAIEDKLSKDIO-HSZRJFAPSA-N 0 0 458.583 4.957 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(C)(C)C1 ZINC001455237013 1066374001 /nfs/dbraw/zinc/37/40/01/1066374001.db2.gz LOAXUDOPNXVDAS-CQSZACIVSA-N 0 0 451.386 4.511 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C3CCC(C)CC3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001361123533 1066374099 /nfs/dbraw/zinc/37/40/99/1066374099.db2.gz DFTQLXIAJYYXAN-UHFFFAOYSA-N 0 0 488.698 4.881 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1OC ZINC001443840395 1066374452 /nfs/dbraw/zinc/37/44/52/1066374452.db2.gz LHPYWQVFNCRSEY-ZDUSSCGKSA-N 0 0 452.320 4.836 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)OC)c12 ZINC001443840440 1066374542 /nfs/dbraw/zinc/37/45/42/1066374542.db2.gz RZCACEGTURFZSZ-FQEVSTJZSA-N 0 0 459.546 4.653 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1OC ZINC001443841359 1066374818 /nfs/dbraw/zinc/37/48/18/1066374818.db2.gz MWJRSZQITRENGN-MGPUTAFESA-N 0 0 458.530 4.695 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2ccc(F)cn2)c1 ZINC001361123754 1066375092 /nfs/dbraw/zinc/37/50/92/1066375092.db2.gz LYSZXENMORBGFW-FQEVSTJZSA-N 0 0 467.589 4.734 20 0 JJADRN CNc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)c1 ZINC001455249550 1066375214 /nfs/dbraw/zinc/37/52/14/1066375214.db2.gz UGPZPYOLOJOIFP-NRFANRHFSA-N 0 0 459.974 4.825 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545962774 1066375474 /nfs/dbraw/zinc/37/54/74/1066375474.db2.gz JWBNGUOMWPTMON-OAQYLSRUSA-N 0 0 451.615 4.587 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001443846520 1066375856 /nfs/dbraw/zinc/37/58/56/1066375856.db2.gz XJSQLAPXYLICPM-HNNXBMFYSA-N 0 0 458.530 4.560 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC001455255742 1066375954 /nfs/dbraw/zinc/37/59/54/1066375954.db2.gz QTAWDCPAVLSSLB-UHFFFAOYSA-N 0 0 458.558 4.586 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)CSc1ncnc3sc(C)c(C)c31)CC2 ZINC001455255121 1066375967 /nfs/dbraw/zinc/37/59/67/1066375967.db2.gz ZVRHAJDHIMDEJQ-UHFFFAOYSA-N 0 0 457.621 4.737 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1)C(C)C ZINC001443849332 1066376000 /nfs/dbraw/zinc/37/60/00/1066376000.db2.gz LAROTRWKCHYUNC-HSZRJFAPSA-N 0 0 458.002 4.880 20 0 JJADRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC001443846601 1066376029 /nfs/dbraw/zinc/37/60/29/1066376029.db2.gz XNQFDQXWVVFREE-UHFFFAOYSA-N 0 0 454.448 4.922 20 0 JJADRN O=C(NC1(c2cc(Cl)cc(Br)c2)CC1)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001455257892 1066376238 /nfs/dbraw/zinc/37/62/38/1066376238.db2.gz VYUAOOZYLMEFHT-UHFFFAOYSA-N 0 0 459.653 4.812 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361124047 1066376743 /nfs/dbraw/zinc/37/67/43/1066376743.db2.gz VKAYAJFURXEQRW-OAQYLSRUSA-N 0 0 463.626 4.887 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)N(C)C3(CNC(=O)OC(C)(C)C)CCCCC3)c2)nn1 ZINC001455260251 1066376977 /nfs/dbraw/zinc/37/69/77/1066376977.db2.gz ZHQPLRXMIOFEPG-UHFFFAOYSA-N 0 0 453.587 4.828 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cnccn3)n2C[C@@H]2CCCS2)c1 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Cc1ccc2[nH]c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc2c1Br ZINC001443914444 1066385423 /nfs/dbraw/zinc/38/54/23/1066385423.db2.gz XUYNSFLNZRJMOD-CQSZACIVSA-N 0 0 452.393 4.908 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1I ZINC001455374950 1066385204 /nfs/dbraw/zinc/38/52/04/1066385204.db2.gz GMMPIMOJJXWIKI-RTBURBONSA-N 0 0 465.331 4.531 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361126530 1066385455 /nfs/dbraw/zinc/38/54/55/1066385455.db2.gz UFXQBRBCSNQIFT-WOJBJXKFSA-N 0 0 455.647 4.543 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1nscc1I ZINC001443921216 1066385623 /nfs/dbraw/zinc/38/56/23/1066385623.db2.gz SOODLOPCWGSNTG-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443922809 1066385890 /nfs/dbraw/zinc/38/58/90/1066385890.db2.gz WIEAVTSRLNINDZ-MHECFPHRSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1C ZINC001443922092 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467.580 4.742 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2COCCO2)c1 ZINC001361127288 1066388162 /nfs/dbraw/zinc/38/81/62/1066388162.db2.gz HAIDEKKNONAKMT-QGZVFWFLSA-N 0 0 481.424 4.604 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC001443962205 1066388334 /nfs/dbraw/zinc/38/83/34/1066388334.db2.gz KQLCDYDSJHGVIO-OAQYLSRUSA-N 0 0 452.620 4.805 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCc4oncc4C3)n2CCCOC(F)(F)F)c1 ZINC001361127501 1066388488 /nfs/dbraw/zinc/38/84/88/1066388488.db2.gz KEIKWYNNKZPUNF-UHFFFAOYSA-N 0 0 479.503 4.766 20 0 JJADRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)c1cc(I)ccc1N ZINC001455420334 1066388641 /nfs/dbraw/zinc/38/86/41/1066388641.db2.gz SZGLCGJZCSULFW-INIZCTEOSA-N 0 0 454.739 4.935 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1)OC ZINC001545963413 1066388737 /nfs/dbraw/zinc/38/87/37/1066388737.db2.gz VZVJDHZQDFBODQ-VQTJNVASSA-N 0 0 455.628 4.702 20 0 JJADRN 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NPQZDCBBTJOJRD-UHFFFAOYSA-N 0 0 459.550 4.522 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cc(N4CCOCC4)ccn3)cc2C)cc1 ZINC001443995284 1066392499 /nfs/dbraw/zinc/39/24/99/1066392499.db2.gz RNTKVQXZTCNTPV-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CCCC(F)(F)F)c1 ZINC001361128525 1066392759 /nfs/dbraw/zinc/39/27/59/1066392759.db2.gz YIYVGAJMPKDOCN-UHFFFAOYSA-N 0 0 454.537 4.840 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001361128547 1066392906 /nfs/dbraw/zinc/39/29/06/1066392906.db2.gz YYDGUAHIVYSXDF-QFIPXVFZSA-N 0 0 488.698 4.881 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001443998271 1066393110 /nfs/dbraw/zinc/39/31/10/1066393110.db2.gz YPGXTCRLFSUPQX-MRXNPFEDSA-N 0 0 451.523 4.557 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460473 1066393269 /nfs/dbraw/zinc/39/32/69/1066393269.db2.gz BTYZANJYMRXSEG-LOSJGSFVSA-N 0 0 453.602 4.574 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460479 1066393476 /nfs/dbraw/zinc/39/34/76/1066393476.db2.gz BTYZANJYMRXSEG-RPBOFIJWSA-N 0 0 453.602 4.574 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001444000222 1066393513 /nfs/dbraw/zinc/39/35/13/1066393513.db2.gz RQSJDXLYOZRSAF-SFHVURJKSA-N 0 0 451.336 4.513 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545963594 1066393791 /nfs/dbraw/zinc/39/37/91/1066393791.db2.gz ZLTBNVHWNUSHHC-OALUTQOASA-N 0 0 499.587 4.947 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361129798 1066393808 /nfs/dbraw/zinc/39/38/08/1066393808.db2.gz DUGLOSKTEUJHNM-IBGZPJMESA-N 0 0 496.681 4.619 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H]2C[C@H]2C)c1 ZINC001361129871 1066394016 /nfs/dbraw/zinc/39/40/16/1066394016.db2.gz FPPUAVQLYJKFLX-NHCUHLMSSA-N 0 0 482.673 4.575 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545963596 1066393856 /nfs/dbraw/zinc/39/38/56/1066393856.db2.gz ZLTBNVHWNUSHHC-RTBURBONSA-N 0 0 499.587 4.947 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC3(CCO)CCCCC3)cs2)cc1 ZINC001455462874 1066393883 /nfs/dbraw/zinc/39/38/83/1066393883.db2.gz GXZXHIGWUBYYOS-UHFFFAOYSA-N 0 0 459.612 4.896 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001444013432 1066394435 /nfs/dbraw/zinc/39/44/35/1066394435.db2.gz KFMCLOAHCGSQLN-UHFFFAOYSA-N 0 0 450.501 4.561 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)Nc3nccn3Cc3ccccc3Cl)n[nH]2)c1C ZINC001444018866 1066395172 /nfs/dbraw/zinc/39/51/72/1066395172.db2.gz VZEPCVNLYSTASO-UHFFFAOYSA-N 0 0 451.962 4.841 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n[nH]1 ZINC001361130456 1066395428 /nfs/dbraw/zinc/39/54/28/1066395428.db2.gz NCGVAERSFKESRU-HHHXNRCGSA-N 0 0 495.672 4.600 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001444024886 1066395769 /nfs/dbraw/zinc/39/57/69/1066395769.db2.gz UXJAWUCJKAXKLK-LJQANCHMSA-N 0 0 452.913 4.727 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2CCC=CO2)c1 ZINC001361130478 1066395835 /nfs/dbraw/zinc/39/58/35/1066395835.db2.gz NPSGFSWKZVNJKE-PKTZIBPZSA-N 0 0 495.668 4.675 20 0 JJADRN O=C(NOc1ccccc1F)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001455475087 1066396111 /nfs/dbraw/zinc/39/61/11/1066396111.db2.gz GGAYUAGHJWARGU-UHFFFAOYSA-N 0 0 455.294 4.657 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cnn(C)c2)c1 ZINC001361130510 1066396203 /nfs/dbraw/zinc/39/62/03/1066396203.db2.gz PCJVSKLWPMUBGA-HHHXNRCGSA-N 0 0 480.657 4.712 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2C[C@H]2C)c1 ZINC001361130802 1066396529 /nfs/dbraw/zinc/39/65/29/1066396529.db2.gz RMHJIKRJMRNJAH-RTBURBONSA-N 0 0 465.564 4.629 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001361130898 1066396545 /nfs/dbraw/zinc/39/65/45/1066396545.db2.gz RZJOHVZJBOYBRZ-UHFFFAOYSA-N 0 0 493.652 4.852 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC4(CCCCC4)C3)n2CCC(C)(C)O)c1 ZINC001361130938 1066396611 /nfs/dbraw/zinc/39/66/11/1066396611.db2.gz SPIWQQKFGRHGBQ-UHFFFAOYSA-N 0 0 470.658 4.989 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361131022 1066397147 /nfs/dbraw/zinc/39/71/47/1066397147.db2.gz VVPHNZUVCUUXEW-DXIQSLLYSA-N 0 0 496.574 4.729 20 0 JJADRN C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]1C ZINC001455491333 1066397155 /nfs/dbraw/zinc/39/71/55/1066397155.db2.gz GVTRBWQDJBOVRE-RHGYRFJNSA-N 0 0 450.579 4.718 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001444051849 1066397201 /nfs/dbraw/zinc/39/72/01/1066397201.db2.gz BLKVWFHNAYBDHI-SFGWALBWSA-N 0 0 465.585 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ncc(Br)s2)CC1 ZINC001455495076 1066397563 /nfs/dbraw/zinc/39/75/63/1066397563.db2.gz NWIJJMBRCPCIEY-CYBMUJFWSA-N 0 0 458.422 4.595 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001444066934 1066398759 /nfs/dbraw/zinc/39/87/59/1066398759.db2.gz IZFNJTWNEHJDQG-UHFFFAOYSA-N 0 0 458.345 4.616 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1NC(=O)C1CCCCC1 ZINC001444067570 1066398932 /nfs/dbraw/zinc/39/89/32/1066398932.db2.gz ZASDWLVAEJDHTA-MRXNPFEDSA-N 0 0 459.587 4.656 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001455504184 1066399063 /nfs/dbraw/zinc/39/90/63/1066399063.db2.gz OWSXJOGXWIFORA-OALUTQOASA-N 0 0 455.640 4.613 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001455504401 1066399167 /nfs/dbraw/zinc/39/91/67/1066399167.db2.gz QIHSERDOFOXHOP-RBUKOAKNSA-N 0 0 455.640 4.613 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1C[C@H](C)c1ccc(C)cc1 ZINC001361131485 1066399350 /nfs/dbraw/zinc/39/93/50/1066399350.db2.gz JJFNWCINBIBILF-IBGZPJMESA-N 0 0 468.671 4.751 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC001361131572 1066399482 /nfs/dbraw/zinc/39/94/82/1066399482.db2.gz LBODOIQPFRQKSD-DXIQSLLYSA-N 0 0 467.639 4.556 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001444069399 1066399367 /nfs/dbraw/zinc/39/93/67/1066399367.db2.gz OUHFLSXGGFZGRM-GJZGRUSLSA-N 0 0 451.539 4.643 20 0 JJADRN O=C(CCC(=O)N[C@@H](c1ccccc1)C1CCOCC1)Nc1nnc(C2CCCCC2)s1 ZINC001444068724 1066399511 /nfs/dbraw/zinc/39/95/11/1066399511.db2.gz MYPCJVXVDQQGPR-QFIPXVFZSA-N 0 0 456.612 4.589 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C2(c3ccccc3F)CCCC2)C[C@@H]1C(F)(F)F ZINC001455510166 1066401623 /nfs/dbraw/zinc/40/16/23/1066401623.db2.gz CUKDOKJJOPARDM-RDJZCZTQSA-N 0 0 458.496 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3(c4ccc(Br)cc4)CC3)CCC[C@H]12 ZINC001455511550 1066401791 /nfs/dbraw/zinc/40/17/91/1066401791.db2.gz GODCUAVDNQOAES-FDDCHVKYSA-N 0 0 463.416 4.777 20 0 JJADRN CC(C)(C)c1csc(C2CCN(C(=O)c3cn4c(Br)cnc4s3)CC2)n1 ZINC001444082386 1066401522 /nfs/dbraw/zinc/40/15/22/1066401522.db2.gz LNHVEVPCTTUIDH-UHFFFAOYSA-N 0 0 453.431 4.932 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)[nH]n1 ZINC001444081434 1066401815 /nfs/dbraw/zinc/40/18/15/1066401815.db2.gz OASYWOKGDBCWDF-QHCPKHFHSA-N 0 0 454.521 4.663 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2Cc2ccc(Cl)nc2)c1 ZINC001361131959 1066401812 /nfs/dbraw/zinc/40/18/12/1066401812.db2.gz RQFKPULTDJXGTL-SFHVURJKSA-N 0 0 455.990 4.611 20 0 JJADRN CC(C)(C)c1csc(C2CCN(C(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)CC2)n1 ZINC001444083396 1066402198 /nfs/dbraw/zinc/40/21/98/1066402198.db2.gz QAAXVKRBWVITLF-UHFFFAOYSA-N 0 0 453.530 4.890 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@H](C)C3)n2CCCOC2CCOCC2)c1 ZINC001361132370 1066402264 /nfs/dbraw/zinc/40/22/64/1066402264.db2.gz XEMDXFCVFXALBM-OAQYLSRUSA-N 0 0 488.698 4.816 20 0 JJADRN Cc1cccc(C2(C(=O)N3C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)CCCC2)c1 ZINC001455514963 1066402181 /nfs/dbraw/zinc/40/21/81/1066402181.db2.gz INOJMOGADJRCMT-HKUYNNGSSA-N 0 0 454.533 4.968 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCCCO2)C1 ZINC001546072875 1066402224 /nfs/dbraw/zinc/40/22/24/1066402224.db2.gz LRGOTDYVWYIHPK-RLWLMLJZSA-N 0 0 475.678 4.978 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)cc2nc1C(F)(F)F ZINC001455515398 1066402330 /nfs/dbraw/zinc/40/23/30/1066402330.db2.gz JYYAOOIYHPKOPR-QMHKHESXSA-N 0 0 480.531 4.965 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001455518354 1066403396 /nfs/dbraw/zinc/40/33/96/1066403396.db2.gz SDBYOTULCPJEGC-WMZOPIPTSA-N 0 0 458.521 4.777 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)c(C)c2c1 ZINC001455519424 1066403458 /nfs/dbraw/zinc/40/34/58/1066403458.db2.gz URQGWXJUJCVRLR-AFMDSPMNSA-N 0 0 454.567 4.592 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001444087776 1066403331 /nfs/dbraw/zinc/40/33/31/1066403331.db2.gz DKCSBWIOELRIJQ-HYVNUMGLSA-N 0 0 454.518 4.556 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC(c4nc(C(C)(C)C)cs4)CC3)cnc21 ZINC001444085535 1066403513 /nfs/dbraw/zinc/40/35/13/1066403513.db2.gz XDRZQHLEEZAYAI-UHFFFAOYSA-N 0 0 451.518 4.761 20 0 JJADRN Cc1cc2cc(C(=O)N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)oc2c(Br)c1 ZINC001455522641 1066403798 /nfs/dbraw/zinc/40/37/98/1066403798.db2.gz VHVSCWOUNSSODY-OYHNWAKOSA-N 0 0 463.372 4.833 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)Cc2cc(Br)ccc2Cl)C1 ZINC001444087884 1066403795 /nfs/dbraw/zinc/40/37/95/1066403795.db2.gz FEVJRAVTBFQSMT-GFCCVEGCSA-N 0 0 457.825 4.512 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134050 1066404562 /nfs/dbraw/zinc/40/45/62/1066404562.db2.gz GENGWQAIMGPRGA-NZQKXSOJSA-N 0 0 476.625 4.898 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134052 1066404613 /nfs/dbraw/zinc/40/46/13/1066404613.db2.gz GENGWQAIMGPRGA-REWPJTCUSA-N 0 0 476.625 4.898 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545964284 1066404907 /nfs/dbraw/zinc/40/49/07/1066404907.db2.gz AXTZEUKWQXTWMS-UXLLHSPISA-N 0 0 481.066 4.627 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C4N=NC(=S)N4C(C)C)C3)c(F)c2)cc1 ZINC001444095255 1066405621 /nfs/dbraw/zinc/40/56/21/1066405621.db2.gz UAQGQZNUCGQMGG-SFHVURJKSA-N 0 0 454.571 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC001444095669 1066405661 /nfs/dbraw/zinc/40/56/61/1066405661.db2.gz ASHPAKMUXRWHJI-MQFAKOPTSA-N 0 0 456.608 4.970 20 0 JJADRN Cc1ccc(OCCC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(Br)c1 ZINC001455532321 1066405749 /nfs/dbraw/zinc/40/57/49/1066405749.db2.gz LBPSQAOUNVHXOG-AUSIDOKSSA-N 0 0 481.431 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001455533050 1066405762 /nfs/dbraw/zinc/40/57/62/1066405762.db2.gz QZAJFXCLXUAQBC-ZWKOTPCHSA-N 0 0 450.542 4.810 20 0 JJADRN Cc1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(C)cc1Br ZINC001455533817 1066405803 /nfs/dbraw/zinc/40/58/03/1066405803.db2.gz TXURFTMRIJZKDX-XMSQKQJNSA-N 0 0 451.405 4.975 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(N3CCN(C4=NCC(C)(C)S4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134427 1066406378 /nfs/dbraw/zinc/40/63/78/1066406378.db2.gz DIHGBFHHHKATFG-IBGZPJMESA-N 0 0 454.688 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001444096250 1066406413 /nfs/dbraw/zinc/40/64/13/1066406413.db2.gz CMIHSNCPJLAOHJ-FZEVHQGJSA-N 0 0 458.571 4.755 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001361134749 1066406563 /nfs/dbraw/zinc/40/65/63/1066406563.db2.gz GNNRRLUHTXDVPF-DFQSSKMNSA-N 0 0 452.521 4.789 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001361134831 1066407705 /nfs/dbraw/zinc/40/77/05/1066407705.db2.gz IAMWOKOXAQYOIH-CLOONOSVSA-N 0 0 469.655 4.832 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)CC2)N2CCOCC2)cc1 ZINC001361134963 1066407753 /nfs/dbraw/zinc/40/77/53/1066407753.db2.gz IRIGRHURTLNHDN-NRFANRHFSA-N 0 0 465.564 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](C)c2ccc(C)cc2)n1 ZINC001361134998 1066408583 /nfs/dbraw/zinc/40/85/83/1066408583.db2.gz JIHXXMXDAFVRDD-QGZVFWFLSA-N 0 0 458.532 4.951 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361135062 1066408615 /nfs/dbraw/zinc/40/86/15/1066408615.db2.gz OVZHQCJGXQHJIH-LQWHRVPQSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361135072 1066408667 /nfs/dbraw/zinc/40/86/67/1066408667.db2.gz PAWZGVBDZLWBDC-WOJBJXKFSA-N 0 0 453.631 4.961 20 0 JJADRN CC[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H](O)c1ccccc1 ZINC001455542730 1066408757 /nfs/dbraw/zinc/40/87/57/1066408757.db2.gz MTZWUEIYADPOHD-PXNSSMCTSA-N 0 0 457.324 4.536 20 0 JJADRN Cn1c(C(=O)NCc2c(F)cc(F)cc2F)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001455554324 1066409554 /nfs/dbraw/zinc/40/95/54/1066409554.db2.gz ZSBOASLEEIGDBT-IBGZPJMESA-N 0 0 451.489 4.835 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)ccc2C)c1 ZINC001444126438 1066410430 /nfs/dbraw/zinc/41/04/30/1066410430.db2.gz WRSKCAFHEJUYFW-NZQKXSOJSA-N 0 0 458.624 4.675 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001361136525 1066410731 /nfs/dbraw/zinc/41/07/31/1066410731.db2.gz XYYFWYPFVAIGAL-FQEVSTJZSA-N 0 0 491.640 4.683 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001361136557 1066410821 /nfs/dbraw/zinc/41/08/21/1066410821.db2.gz RCFQAUBKSWTMMT-QFQXNSOFSA-N 0 0 454.542 4.796 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001545964597 1066411015 /nfs/dbraw/zinc/41/10/15/1066411015.db2.gz HFAUIUZMCVNVOT-QGZVFWFLSA-N 0 0 453.974 4.577 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)cc1 ZINC001361136794 1066411658 /nfs/dbraw/zinc/41/16/58/1066411658.db2.gz ZSGCCDCVFMSDCM-DNVCBOLYSA-N 0 0 488.455 4.802 20 0 JJADRN CCOC(=O)C(C)(C)CC(=O)Nc1cc(I)cc(C(F)(F)F)c1C ZINC001455567085 1066411847 /nfs/dbraw/zinc/41/18/47/1066411847.db2.gz FLTXYJYSPMAVDI-UHFFFAOYSA-N 0 0 457.230 4.536 20 0 JJADRN CN(CCCCC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC001455567931 1066411895 /nfs/dbraw/zinc/41/18/95/1066411895.db2.gz HIWAPDAHWZZNOZ-FKBYEOEOSA-N 0 0 458.599 4.537 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)cc1 ZINC001361136796 1066411758 /nfs/dbraw/zinc/41/17/58/1066411758.db2.gz ZSGCCDCVFMSDCM-HNAYVOBHSA-N 0 0 488.455 4.802 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)co2)cc1 ZINC001455567062 1066411957 /nfs/dbraw/zinc/41/19/57/1066411957.db2.gz XRJOHACBKVNXNQ-XMMPIXPASA-N 0 0 455.514 4.934 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361137240 1066412227 /nfs/dbraw/zinc/41/22/27/1066412227.db2.gz ZJWDSQLORIGKJO-SKCUWOTOSA-N 0 0 492.668 4.981 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361137239 1066412362 /nfs/dbraw/zinc/41/23/62/1066412362.db2.gz ZJWDSQLORIGKJO-RBISFHTESA-N 0 0 492.668 4.981 20 0 JJADRN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001455573163 1066412383 /nfs/dbraw/zinc/41/23/83/1066412383.db2.gz STERBJQZBCPISF-UHFFFAOYSA-N 0 0 456.376 4.633 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)C3(c4ccc(Br)cc4)CCOCC3)C2)cc1 ZINC001361137834 1066413048 /nfs/dbraw/zinc/41/30/48/1066413048.db2.gz IMSHFXCVZFKQOJ-NRFANRHFSA-N 0 0 457.412 4.591 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)C3(c4ccc(Br)cc4)CCOCC3)C2)cc1 ZINC001361137835 1066413131 /nfs/dbraw/zinc/41/31/31/1066413131.db2.gz IMSHFXCVZFKQOJ-OAQYLSRUSA-N 0 0 457.412 4.591 20 0 JJADRN O=C(NC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001455586033 1066413146 /nfs/dbraw/zinc/41/31/46/1066413146.db2.gz QYXGEIDOAOYCPN-RHSMWYFYSA-N 0 0 456.258 4.520 20 0 JJADRN O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001455585573 1066413178 /nfs/dbraw/zinc/41/31/78/1066413178.db2.gz QYXGEIDOAOYCPN-PBHICJAKSA-N 0 0 456.258 4.520 20 0 JJADRN CCn1ncc2cc(C(=O)NCCCCCC3CCN(C(=O)OC(C)(C)C)CC3)c(C)nc21 ZINC001455584847 1066413222 /nfs/dbraw/zinc/41/32/22/1066413222.db2.gz LTVWYEMNLMHAJH-UHFFFAOYSA-N 0 0 457.619 4.697 20 0 JJADRN Cc1ccc([C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCC(F)F)N2CCOCC2)o1 ZINC001361139016 1066413635 /nfs/dbraw/zinc/41/36/35/1066413635.db2.gz FBBSNUAPIZBADA-IBGZPJMESA-N 0 0 479.959 4.665 20 0 JJADRN CCN(C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)[C@H](C)CS(=O)(=O)CC ZINC001444139377 1066413835 /nfs/dbraw/zinc/41/38/35/1066413835.db2.gz PAJWGRMNPCPZCA-CQSZACIVSA-N 0 0 454.614 4.534 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(F)cc3nccnc32)cc1 ZINC001361139301 1066414477 /nfs/dbraw/zinc/41/44/77/1066414477.db2.gz ZFIPYIBYRJJQNS-UHFFFAOYSA-N 0 0 451.479 4.607 20 0 JJADRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001361139305 1066414470 /nfs/dbraw/zinc/41/44/70/1066414470.db2.gz ZKXCORGQLGARLM-XMMPIXPASA-N 0 0 451.448 4.769 20 0 JJADRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001455601310 1066414696 /nfs/dbraw/zinc/41/46/96/1066414696.db2.gz PDNVAOYRCXXSBO-UHFFFAOYSA-N 0 0 458.921 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC001455607915 1066414922 /nfs/dbraw/zinc/41/49/22/1066414922.db2.gz SPJYIVZCRLTFDH-KRWDZBQOSA-N 0 0 459.537 4.968 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@H](C)c3cc4ccccc4o3)c2)cc1 ZINC001444143831 1066416239 /nfs/dbraw/zinc/41/62/39/1066416239.db2.gz CJJMWRLWRPNFEC-GOSISDBHSA-N 0 0 458.514 4.992 20 0 JJADRN CCOC(=O)c1n[nH]nc1[C@@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633095 1066417417 /nfs/dbraw/zinc/41/74/17/1066417417.db2.gz DWOLKGFYFWVXJE-SFHVURJKSA-N 0 0 456.955 4.763 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1C(=O)OC ZINC001361140554 1066418011 /nfs/dbraw/zinc/41/80/11/1066418011.db2.gz BCOFXFFKNYYPLR-UHFFFAOYSA-N 0 0 456.454 4.834 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC001455636122 1066418209 /nfs/dbraw/zinc/41/82/09/1066418209.db2.gz RVNAZZKQIVMGSS-NTCAYCPXSA-N 0 0 451.441 4.836 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)NCCSCCOc2cccc(Br)c2)c1 ZINC001444151395 1066418711 /nfs/dbraw/zinc/41/87/11/1066418711.db2.gz DGLHSWNHNMGQKL-DTQAZKPQSA-N 0 0 450.398 4.789 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)CCSc2ccccc2Br)CCCC1 ZINC001444148769 1066418742 /nfs/dbraw/zinc/41/87/42/1066418742.db2.gz LNAXZFUKWZFFTM-UHFFFAOYSA-N 0 0 457.434 4.885 20 0 JJADRN O=C(Cc1c[nH]c2ccc(F)cc12)NCCSCCOc1cccc(Br)c1 ZINC001444153165 1066419465 /nfs/dbraw/zinc/41/94/65/1066419465.db2.gz KCGJXNNZXDGIEZ-UHFFFAOYSA-N 0 0 451.361 4.540 20 0 JJADRN CC(C)(NC(=O)Nc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001455651855 1066420342 /nfs/dbraw/zinc/42/03/42/1066420342.db2.gz RUFZGSZJDSZORS-UHFFFAOYSA-N 0 0 458.278 4.684 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001361141569 1066420844 /nfs/dbraw/zinc/42/08/44/1066420844.db2.gz PTLFGBHGULLAAG-LADGPHEKSA-N 0 0 480.923 4.881 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965335 1066420919 /nfs/dbraw/zinc/42/09/19/1066420919.db2.gz VVPWBFMAGUZSKR-UXLLHSPISA-N 0 0 482.000 4.655 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC001361141542 1066420891 /nfs/dbraw/zinc/42/08/91/1066420891.db2.gz OYVAPGJJTUFJLU-SNVBAGLBSA-N 0 0 454.683 4.548 20 0 JJADRN CCc1c(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cnn1-c1ccccc1Cl ZINC001361141743 1066421783 /nfs/dbraw/zinc/42/17/83/1066421783.db2.gz RWFXBCWOEBWWKK-CQSZACIVSA-N 0 0 451.914 4.638 20 0 JJADRN CCOC(=O)Cc1csc(CNC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 ZINC001455668222 1066421936 /nfs/dbraw/zinc/42/19/36/1066421936.db2.gz XIYXNQNVFOGKJV-JAIQZWGSSA-N 0 0 458.942 4.898 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545965422 1066421804 /nfs/dbraw/zinc/42/18/04/1066421804.db2.gz XJLYIGHQEXGSGF-MSOLQXFVSA-N 0 0 495.093 4.875 20 0 JJADRN Cc1cccc(-c2noc(CC3CCN(C(=O)[C@H](C)Oc4ccc(Cl)c(C)c4)CC3)n2)n1 ZINC001455672144 1066422694 /nfs/dbraw/zinc/42/26/94/1066422694.db2.gz CMBMBABGOYGRFJ-KRWDZBQOSA-N 0 0 454.958 4.650 20 0 JJADRN CCN(CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164613 1066423322 /nfs/dbraw/zinc/42/33/22/1066423322.db2.gz ATRFSZHMJCCBQU-SFHVURJKSA-N 0 0 450.970 4.687 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC(F)(F)F)C1 ZINC001546074945 1066423643 /nfs/dbraw/zinc/42/36/43/1066423643.db2.gz DDZXTSMNVBWCBZ-HSZRJFAPSA-N 0 0 459.516 4.880 20 0 JJADRN O=C(Cc1cccnc1Cl)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001444164205 1066423699 /nfs/dbraw/zinc/42/36/99/1066423699.db2.gz HRGWLUZZACLAEB-UHFFFAOYSA-N 0 0 458.743 4.609 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001361142913 1066424156 /nfs/dbraw/zinc/42/41/56/1066424156.db2.gz JDOVAWGLCSPESV-FYZZASKESA-N 0 0 450.645 4.618 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001546075086 1066424233 /nfs/dbraw/zinc/42/42/33/1066424233.db2.gz HDEMMLAWLYLJDD-XMMPIXPASA-N 0 0 455.990 4.609 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cs2)c1 ZINC001444166054 1066424221 /nfs/dbraw/zinc/42/42/21/1066424221.db2.gz BDSXDQMHGJOBKB-MRXNPFEDSA-N 0 0 455.967 4.621 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)NCCCC(=O)N2Cc3ccccc3C2)n1 ZINC001444167189 1066424272 /nfs/dbraw/zinc/42/42/72/1066424272.db2.gz KMZMWCQLQGRMEA-UHFFFAOYSA-N 0 0 451.617 4.796 20 0 JJADRN O=C(CC1(C(F)(F)F)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444170867 1066424641 /nfs/dbraw/zinc/42/46/41/1066424641.db2.gz ITQYWXXKONLQGS-CQSZACIVSA-N 0 0 458.278 4.819 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)cc2)cc1 ZINC001361143511 1066424785 /nfs/dbraw/zinc/42/47/85/1066424785.db2.gz UBMRHIJXQQSEBR-ZBLYBZFDSA-N 0 0 456.586 4.820 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001361143402 1066424856 /nfs/dbraw/zinc/42/48/56/1066424856.db2.gz QUCBGURMLFSLMA-FUHWJXTLSA-N 0 0 453.530 4.823 20 0 JJADRN O=C(NCc1ccc2c(c1)OCCCO2)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001361143859 1066425564 /nfs/dbraw/zinc/42/55/64/1066425564.db2.gz CRJZHHXROHSIKR-UHFFFAOYSA-N 0 0 455.308 4.728 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)CCOc1ccc(CCC(C)=O)cc1)CC2 ZINC001455714870 1066426270 /nfs/dbraw/zinc/42/62/70/1066426270.db2.gz FPGNSYZTVRZNDA-MHZLTWQESA-N 0 0 451.563 4.530 20 0 JJADRN O=C(Cc1ccc2n[nH]cc2c1)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001444178081 1066426175 /nfs/dbraw/zinc/42/61/75/1066426175.db2.gz UJZMLQGDXRKRLI-UHFFFAOYSA-N 0 0 452.436 4.693 20 0 JJADRN CC[C@H](Cc1ccccc1)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC001361144271 1066426274 /nfs/dbraw/zinc/42/62/74/1066426274.db2.gz JPIZBPWEKOWJMB-HSZRJFAPSA-N 0 0 450.604 4.718 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545965478 1066426228 /nfs/dbraw/zinc/42/62/28/1066426228.db2.gz YJVRCGIABRFSRN-SJLPKXTDSA-N 0 0 454.949 4.904 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545965479 1066426954 /nfs/dbraw/zinc/42/69/54/1066426954.db2.gz YJVRCGIABRFSRN-WMZOPIPTSA-N 0 0 454.949 4.904 20 0 JJADRN O=C(CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc(Br)cn1 ZINC001455729293 1066427373 /nfs/dbraw/zinc/42/73/73/1066427373.db2.gz XKYNKAILEMJBGX-UHFFFAOYSA-N 0 0 455.274 4.674 20 0 JJADRN CC(C)c1oncc1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001455735253 1066427389 /nfs/dbraw/zinc/42/73/89/1066427389.db2.gz FLPZXSBHZZYVFY-UHFFFAOYSA-N 0 0 459.955 4.845 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@]2(O)CCSC2)c1 ZINC001361145455 1066427841 /nfs/dbraw/zinc/42/78/41/1066427841.db2.gz YHRONZIQMCAELZ-WZONZLPQSA-N 0 0 458.653 4.601 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145366 1066427961 /nfs/dbraw/zinc/42/79/61/1066427961.db2.gz WLUSABMOVAOANT-FQEVSTJZSA-N 0 0 486.638 4.622 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C4CC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361145296 1066428001 /nfs/dbraw/zinc/42/80/01/1066428001.db2.gz UNDJMHKKCVWNPO-QFIPXVFZSA-N 0 0 482.673 4.648 20 0 JJADRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C(=O)N2 ZINC001444203251 1066428394 /nfs/dbraw/zinc/42/83/94/1066428394.db2.gz USPKYHBAOPDQSY-HNNXBMFYSA-N 0 0 455.274 4.886 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(=O)[nH]1 ZINC001444198436 1066428411 /nfs/dbraw/zinc/42/84/11/1066428411.db2.gz XCAVTJITZBJSRS-UHFFFAOYSA-N 0 0 450.926 4.723 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001444201742 1066428449 /nfs/dbraw/zinc/42/84/49/1066428449.db2.gz BFMMPYLRZDJEEC-QGZVFWFLSA-N 0 0 455.568 4.662 20 0 JJADRN CCC[C@@H]1SCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC001444207271 1066429218 /nfs/dbraw/zinc/42/92/18/1066429218.db2.gz IFVDHOYLJOHMMY-IBGZPJMESA-N 0 0 456.992 4.904 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361145655 1066429593 /nfs/dbraw/zinc/42/95/93/1066429593.db2.gz FLKZHQCMWMQROK-IBGZPJMESA-N 0 0 494.669 4.565 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2scnc2C)s1 ZINC001361145648 1066429650 /nfs/dbraw/zinc/42/96/50/1066429650.db2.gz FDIMRNPAFOUMCA-UHFFFAOYSA-N 0 0 468.652 4.997 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361145707 1066429710 /nfs/dbraw/zinc/42/97/10/1066429710.db2.gz HBPWYCVFULGIBN-UHFFFAOYSA-N 0 0 483.613 4.927 20 0 JJADRN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001455772692 1066429855 /nfs/dbraw/zinc/42/98/55/1066429855.db2.gz UOUMOUDMCXEDHR-LEWJYISDSA-N 0 0 456.512 4.778 20 0 JJADRN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001455772694 1066429951 /nfs/dbraw/zinc/42/99/51/1066429951.db2.gz UOUMOUDMCXEDHR-RTWAWAEBSA-N 0 0 456.512 4.778 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC001455787226 1066430747 /nfs/dbraw/zinc/43/07/47/1066430747.db2.gz HOAGXPJJPIAMLP-HXUWFJFHSA-N 0 0 459.484 4.567 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2ccc(Br)o2)no1 ZINC001361145960 1066431039 /nfs/dbraw/zinc/43/10/39/1066431039.db2.gz NVQAARPBQLUXIC-UHFFFAOYSA-N 0 0 486.370 4.811 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3ccn(-c4ccc(Br)cc4)n3)[nH]n2)cc1C ZINC001455790481 1066431506 /nfs/dbraw/zinc/43/15/06/1066431506.db2.gz XAIFXINITKCHAE-UHFFFAOYSA-N 0 0 450.340 4.572 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545965439 1066431693 /nfs/dbraw/zinc/43/16/93/1066431693.db2.gz XULYHINNWJPEAY-JQHSSLGASA-N 0 0 463.026 4.922 20 0 JJADRN CCSc1ccc(CC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c(Br)c1 ZINC001444219235 1066431766 /nfs/dbraw/zinc/43/17/66/1066431766.db2.gz DCRKGFKSZLDQEP-INIZCTEOSA-N 0 0 459.413 4.553 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361146142 1066431796 /nfs/dbraw/zinc/43/17/96/1066431796.db2.gz UEVCJAPOTPLOOQ-CLOONOSVSA-N 0 0 470.017 4.710 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)CO2 ZINC001455792176 1066432235 /nfs/dbraw/zinc/43/22/35/1066432235.db2.gz LEECBONORYYFEI-NRFANRHFSA-N 0 0 458.986 4.986 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545966315 1066432192 /nfs/dbraw/zinc/43/21/92/1066432192.db2.gz BTCAPTOQDBOCMG-LJQANCHMSA-N 0 0 473.618 4.502 20 0 JJADRN CC1(O)CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001455800198 1066433897 /nfs/dbraw/zinc/43/38/97/1066433897.db2.gz IAAHVAGRZGEYFH-UHFFFAOYSA-N 0 0 454.368 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001444247142 1066433947 /nfs/dbraw/zinc/43/39/47/1066433947.db2.gz IELWTZQWAUIZDT-JAXLGGSGSA-N 0 0 458.647 4.693 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361148399 1066434197 /nfs/dbraw/zinc/43/41/97/1066434197.db2.gz JNCGUORXFJZRFY-FQEVSTJZSA-N 0 0 487.551 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361148372 1066434336 /nfs/dbraw/zinc/43/43/36/1066434336.db2.gz INUVZSXFLXMNNQ-LJQANCHMSA-N 0 0 489.542 4.799 20 0 JJADRN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001444248864 1066434430 /nfs/dbraw/zinc/43/44/30/1066434430.db2.gz PAKNFPVVLCHJTO-QHCPKHFHSA-N 0 0 452.551 4.782 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc2c1O[C@@H](C)C2 ZINC001455807697 1066434429 /nfs/dbraw/zinc/43/44/29/1066434429.db2.gz OFBBUYBWOQVNBG-ROUUACIJSA-N 0 0 451.563 4.960 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C3)c(C(C)(C)C)n2)cc1 ZINC001455806143 1066434514 /nfs/dbraw/zinc/43/45/14/1066434514.db2.gz YGLKJHFSRYEHOL-HXUWFJFHSA-N 0 0 454.615 4.854 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC001444254887 1066435704 /nfs/dbraw/zinc/43/57/04/1066435704.db2.gz DGZCYMSYVRPRBD-KRWDZBQOSA-N 0 0 453.411 4.980 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361148619 1066435707 /nfs/dbraw/zinc/43/57/07/1066435707.db2.gz PZPIFTQQELOUGV-UHFFFAOYSA-N 0 0 499.541 4.500 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 ZINC001444256524 1066436731 /nfs/dbraw/zinc/43/67/31/1066436731.db2.gz AHMGMKWDICSLHJ-AREMUKBSSA-N 0 0 458.606 4.985 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455812785 1066436686 /nfs/dbraw/zinc/43/66/86/1066436686.db2.gz LTFVZHPPOPDPED-DOIPELPJSA-N 0 0 481.678 4.669 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455812462 1066436825 /nfs/dbraw/zinc/43/68/25/1066436825.db2.gz KEBICRFIMOWPFY-QKNQBKEWSA-N 0 0 481.678 4.669 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[C@H]2CCCCO2)c1 ZINC001361148719 1066436859 /nfs/dbraw/zinc/43/68/59/1066436859.db2.gz ULFNOUNCPSCOID-DHIUTWEWSA-N 0 0 456.631 4.829 20 0 JJADRN O=C(Nc1ccccc1CC(F)(F)F)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC001444257202 1066436901 /nfs/dbraw/zinc/43/69/01/1066436901.db2.gz YUQXHZCDNJIZBH-UHFFFAOYSA-N 0 0 459.449 4.605 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001444260288 1066437718 /nfs/dbraw/zinc/43/77/18/1066437718.db2.gz KDVHDXHYMSWKRE-QGZVFWFLSA-N 0 0 459.612 4.763 20 0 JJADRN CN(CCOc1cccc(C(=O)NCc2coc(-c3ccccc3)n2)c1)C(=O)OC(C)(C)C ZINC001444262108 1066437734 /nfs/dbraw/zinc/43/77/34/1066437734.db2.gz MHZLCCZXJORLIF-UHFFFAOYSA-N 0 0 451.523 4.517 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1ccccc1 ZINC001444262017 1066437742 /nfs/dbraw/zinc/43/77/42/1066437742.db2.gz RVRHEZWZSJCRMM-QFIPXVFZSA-N 0 0 459.933 4.879 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C(C)C)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361149012 1066438194 /nfs/dbraw/zinc/43/81/94/1066438194.db2.gz FDFDFKHAMHEMGT-UHFFFAOYSA-N 0 0 469.674 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(F)c(Br)c1)C2 ZINC001455820527 1066438269 /nfs/dbraw/zinc/43/82/69/1066438269.db2.gz CPFIHXFMBIXZOV-NRFANRHFSA-N 0 0 455.368 4.842 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1 ZINC001455821425 1066438310 /nfs/dbraw/zinc/43/83/10/1066438310.db2.gz FYTXTRZAOTXQOQ-WXTAPIANSA-N 0 0 457.615 4.555 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1 ZINC001455821418 1066438318 /nfs/dbraw/zinc/43/83/18/1066438318.db2.gz FYTXTRZAOTXQOQ-DWXRJYCRSA-N 0 0 457.615 4.555 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(C(F)(F)F)ccc2Br)CCC1 ZINC001546076612 1066438372 /nfs/dbraw/zinc/43/83/72/1066438372.db2.gz VESFKVPDDLEBNV-UHFFFAOYSA-N 0 0 451.283 4.645 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC3CCOCC3)n2CC2(C)CCOCC2)c1 ZINC001361149180 1066438751 /nfs/dbraw/zinc/43/87/51/1066438751.db2.gz LIITVZNDMFFFHY-UHFFFAOYSA-N 0 0 456.631 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1c(F)cccc1Br)C2 ZINC001455825226 1066438832 /nfs/dbraw/zinc/43/88/32/1066438832.db2.gz NFNMEKRRZNYHBN-OAQYLSRUSA-N 0 0 455.368 4.842 20 0 JJADRN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001455822797 1066438853 /nfs/dbraw/zinc/43/88/53/1066438853.db2.gz DLXHOCHIOBCLQF-BFUOFWGJSA-N 0 0 454.398 4.823 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)cc2)nn1 ZINC001444267063 1066438907 /nfs/dbraw/zinc/43/89/07/1066438907.db2.gz YTNJZZHAJJMNOU-CQSZACIVSA-N 0 0 455.540 4.872 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001444266095 1066439051 /nfs/dbraw/zinc/43/90/51/1066439051.db2.gz KSCKUQACXHXAHK-KIFXHHALSA-N 0 0 452.595 4.810 20 0 JJADRN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001455830130 1066439604 /nfs/dbraw/zinc/43/96/04/1066439604.db2.gz OGHXSSPDFOSVHJ-QRQCRPRQSA-N 0 0 454.571 4.987 20 0 JJADRN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001455829964 1066439615 /nfs/dbraw/zinc/43/96/15/1066439615.db2.gz OGHXSSPDFOSVHJ-IVZQSRNASA-N 0 0 454.571 4.987 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1c[nH]c2ncc(Br)cc12 ZINC001444267254 1066439670 /nfs/dbraw/zinc/43/96/70/1066439670.db2.gz PVLOSLXEBYOBFW-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc2)n1 ZINC001444270069 1066439743 /nfs/dbraw/zinc/43/97/43/1066439743.db2.gz GXZUNMIASROSIL-OAQYLSRUSA-N 0 0 453.542 4.976 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001361149674 1066439894 /nfs/dbraw/zinc/43/98/94/1066439894.db2.gz GQEUUXFMURKVQR-FGZHOGPDSA-N 0 0 458.396 4.924 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001444269865 1066440269 /nfs/dbraw/zinc/44/02/69/1066440269.db2.gz ZKHDXQKZKLUFTC-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN CC(C)n1c2ccc(C(=O)NC[C@@H](c3c(F)cccc3F)N(C)C)cc2nc1C(F)(F)F ZINC001444269502 1066440289 /nfs/dbraw/zinc/44/02/89/1066440289.db2.gz YCSOMPWRKDQVIW-SFHVURJKSA-N 0 0 454.443 4.947 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)c1ccccc1OC(F)(F)F ZINC001455838772 1066440332 /nfs/dbraw/zinc/44/03/32/1066440332.db2.gz KLXXERJBANGUAH-SFHVURJKSA-N 0 0 452.816 4.878 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cnn1-c1ccccc1C ZINC001455835375 1066440393 /nfs/dbraw/zinc/44/03/93/1066440393.db2.gz XPSRAHGIMPXKHT-SANMLTNESA-N 0 0 452.599 4.742 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)c1ccccc1OC(F)(F)F ZINC001455838770 1066440453 /nfs/dbraw/zinc/44/04/53/1066440453.db2.gz KLXXERJBANGUAH-GOSISDBHSA-N 0 0 452.816 4.878 20 0 JJADRN CC(C)(C)[C@H](NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1)C(N)=O ZINC001361150574 1066440669 /nfs/dbraw/zinc/44/06/69/1066440669.db2.gz KUAQOMSZJGQVQC-OAQYLSRUSA-N 0 0 456.384 4.546 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CCSC)NC(=O)OC(C)(C)C ZINC001545966518 1066441374 /nfs/dbraw/zinc/44/13/74/1066441374.db2.gz GBCKAULPZXJIOH-AEFFLSMTSA-N 0 0 491.658 4.555 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545966545 1066441388 /nfs/dbraw/zinc/44/13/88/1066441388.db2.gz GLWPSCNKBFPHGT-NZQKXSOJSA-N 0 0 494.640 4.658 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCOc2ncccc2Cl)c1 ZINC001361151071 1066441412 /nfs/dbraw/zinc/44/14/12/1066441412.db2.gz BEFUASMZQOFZDA-IBGZPJMESA-N 0 0 486.016 4.605 20 0 JJADRN CC1(c2ncc(C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)s2)OCCO1 ZINC001444274002 1066441970 /nfs/dbraw/zinc/44/19/70/1066441970.db2.gz AKKBSPVHMQPSQB-UHFFFAOYSA-N 0 0 450.442 4.772 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cnc(C)s1)OC ZINC001545966560 1066442176 /nfs/dbraw/zinc/44/21/76/1066442176.db2.gz GSQFGAGYPQBVMT-HNNXBMFYSA-N 0 0 480.432 4.543 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001546076883 1066442187 /nfs/dbraw/zinc/44/21/87/1066442187.db2.gz CHLXBHRQPFEQMK-JOCHJYFZSA-N 0 0 493.555 4.843 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361151488 1066442582 /nfs/dbraw/zinc/44/25/82/1066442582.db2.gz BMBJASUFJJSXOG-AZUAARDMSA-N 0 0 479.591 4.983 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1cscc1Cl ZINC001455859220 1066442722 /nfs/dbraw/zinc/44/27/22/1066442722.db2.gz FFHCLESNTCMIDX-OAHLLOKOSA-N 0 0 451.828 4.876 20 0 JJADRN Cc1nc(C2CCN(C(=O)CCc3ncc(-c4ccccc4Br)o3)CC2)[nH]c1C ZINC001455865623 1066442807 /nfs/dbraw/zinc/44/28/07/1066442807.db2.gz JDIUKNGJNKDGQJ-UHFFFAOYSA-N 0 0 457.372 4.783 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCOC[C@H]2CCCO2)c1 ZINC001361151550 1066443219 /nfs/dbraw/zinc/44/32/19/1066443219.db2.gz JVXUKAGNZGNTCD-YMPZKCBVSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361151578 1066443364 /nfs/dbraw/zinc/44/33/64/1066443364.db2.gz KFMAZOPMRQZSFL-NHCUHLMSSA-N 0 0 485.698 4.595 20 0 JJADRN Cc1nc(C2CCN(C(=O)c3cccnc3Oc3ccc(Br)cc3)CC2)[nH]c1C ZINC001455868309 1066443323 /nfs/dbraw/zinc/44/33/23/1066443323.db2.gz RIUWEEXYGPQQMP-UHFFFAOYSA-N 0 0 455.356 4.996 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@H](C)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1 ZINC001444281998 1066443481 /nfs/dbraw/zinc/44/34/81/1066443481.db2.gz UCQLIJOZRCRNAZ-LJQANCHMSA-N 0 0 459.550 4.748 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455868787 1066443500 /nfs/dbraw/zinc/44/35/00/1066443500.db2.gz BMIDKLZPIYTQOP-XOBRGWDASA-N 0 0 472.916 4.945 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2cccs2)c1 ZINC001361151625 1066443944 /nfs/dbraw/zinc/44/39/44/1066443944.db2.gz CDTOXSCPYCUASY-HXUWFJFHSA-N 0 0 481.666 4.838 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCNC(=O)c2cccs2)c1 ZINC001361151624 1066443980 /nfs/dbraw/zinc/44/39/80/1066443980.db2.gz CDTOXSCPYCUASY-FQEVSTJZSA-N 0 0 481.666 4.838 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455873044 1066443909 /nfs/dbraw/zinc/44/39/09/1066443909.db2.gz LPLMHARUDFLHJB-HZPDHXFCSA-N 0 0 467.488 4.993 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2(CCCOCc3ccccc3)CC2)C[C@H]1C(F)(F)F ZINC001455879636 1066444814 /nfs/dbraw/zinc/44/48/14/1066444814.db2.gz RIBUJHAPPBNDFN-RTBURBONSA-N 0 0 470.532 4.678 20 0 JJADRN Cc1cc(CCC(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001455876231 1066444823 /nfs/dbraw/zinc/44/48/23/1066444823.db2.gz SWSBOMPPAUVASI-GDBMZVCRSA-N 0 0 479.337 4.604 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361152057 1066445328 /nfs/dbraw/zinc/44/53/28/1066445328.db2.gz HQYAWUVBNMHEJJ-HKUYNNGSSA-N 0 0 493.599 4.869 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(C)OC[C@@H]2C)sc1C ZINC001361152495 1066446585 /nfs/dbraw/zinc/44/65/85/1066446585.db2.gz UFWDQKHUEVLMKB-SFHVURJKSA-N 0 0 469.655 4.794 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001455888023 1066446665 /nfs/dbraw/zinc/44/66/65/1066446665.db2.gz ZJPDDVATCSVSLE-OLZOCXBDSA-N 0 0 453.377 4.707 20 0 JJADRN Cc1cc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)ccc1OC(C)C ZINC001444314688 1066446652 /nfs/dbraw/zinc/44/66/52/1066446652.db2.gz YZYCTSGCFROTEY-UHFFFAOYSA-N 0 0 452.555 4.795 20 0 JJADRN CN(C[C@@H]1CCCCN1C(=O)Cc1csc(NC2(C)CCCC2)n1)C(=O)OC(C)(C)C ZINC001455889176 1066446781 /nfs/dbraw/zinc/44/67/81/1066446781.db2.gz QUBCNQJOUGZYBH-SFHVURJKSA-N 0 0 450.649 4.678 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@]2(C)CCCS2)c1 ZINC001361152845 1066447150 /nfs/dbraw/zinc/44/71/50/1066447150.db2.gz XJAPONVRIJCHRK-LQBOVUBWSA-N 0 0 484.588 4.916 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C(C)(C)C)C2)n1 ZINC001361152804 1066447166 /nfs/dbraw/zinc/44/71/66/1066447166.db2.gz RHLWNKRMPYQFJJ-FQEVSTJZSA-N 0 0 452.603 4.671 20 0 JJADRN CC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001455893095 1066447263 /nfs/dbraw/zinc/44/72/63/1066447263.db2.gz WGUFGKXGSJGKTQ-PKTZIBPZSA-N 0 0 456.633 4.507 20 0 JJADRN CC[C@H]1CN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444316439 1066447423 /nfs/dbraw/zinc/44/74/23/1066447423.db2.gz CCDMLXFKUQAWBV-FMWSTDPOSA-N 0 0 499.652 4.574 20 0 JJADRN CC[C@@H](NC(=O)c1cccn2c(I)cnc12)c1cccc2ccccc21 ZINC001455893036 1066447421 /nfs/dbraw/zinc/44/74/21/1066447421.db2.gz WAOWQDMBVGKTQM-GOSISDBHSA-N 0 0 455.299 4.973 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccsc2)c1 ZINC001361153084 1066447847 /nfs/dbraw/zinc/44/78/47/1066447847.db2.gz ZRIJOSRAKICLMB-PXNSSMCTSA-N 0 0 480.556 4.934 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001361153007 1066447922 /nfs/dbraw/zinc/44/79/22/1066447922.db2.gz UEXODMJQGKREPJ-OAQYLSRUSA-N 0 0 471.646 4.871 20 0 JJADRN O=C(Nc1cc(Br)c2ccccc2c1)c1nscc1I ZINC001455899550 1066447975 /nfs/dbraw/zinc/44/79/75/1066447975.db2.gz CNWPUSFOMHVQSG-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001546077384 1066448130 /nfs/dbraw/zinc/44/81/30/1066448130.db2.gz NJXBNCHJFWDLSG-LVXARBLLSA-N 0 0 488.698 4.883 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)c1 ZINC001361153143 1066448612 /nfs/dbraw/zinc/44/86/12/1066448612.db2.gz VSGOAAKSXPFDME-UHFFFAOYSA-N 0 0 497.562 4.920 20 0 JJADRN COCCOC1CCC(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)CC1 ZINC001361153277 1066448673 /nfs/dbraw/zinc/44/86/73/1066448673.db2.gz CRDKGKWZJZVBQH-TZDAIYRESA-N 0 0 457.258 4.957 20 0 JJADRN O=C(N[C@@H](CO)CCc1ccccc1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001455907221 1066448655 /nfs/dbraw/zinc/44/86/55/1066448655.db2.gz DGYYYXGVLJBAPS-FYYLOGMGSA-N 0 0 454.364 4.679 20 0 JJADRN COCCOC1CCC(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)CC1 ZINC001361153276 1066448712 /nfs/dbraw/zinc/44/87/12/1066448712.db2.gz CRDKGKWZJZVBQH-IJGSQOGDSA-N 0 0 457.258 4.957 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001455907211 1066448773 /nfs/dbraw/zinc/44/87/73/1066448773.db2.gz XKNFKVITZBJJEX-UHFFFAOYSA-N 0 0 458.301 4.784 20 0 JJADRN Cn1ccc([C@H]2CCCN(C(=O)[C@H](Oc3ccccc3Br)c3ccccc3)C2)n1 ZINC001455910656 1066449116 /nfs/dbraw/zinc/44/91/16/1066449116.db2.gz GQIPWFBLZKHZOM-PGRDOPGGSA-N 0 0 454.368 4.709 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC001444325610 1066449294 /nfs/dbraw/zinc/44/92/94/1066449294.db2.gz AUYIQJPCFKOUKW-GFCCVEGCSA-N 0 0 451.283 4.852 20 0 JJADRN C[C@]1([C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)C2)COC(=O)N1 ZINC001455907376 1066449371 /nfs/dbraw/zinc/44/93/71/1066449371.db2.gz GXUSQYLJBRCANY-OPAMFIHVSA-N 0 0 450.432 4.862 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361153402 1066449914 /nfs/dbraw/zinc/44/99/14/1066449914.db2.gz ZKYSFTHYPVRAJE-IFMALSPDSA-N 0 0 495.624 4.855 20 0 JJADRN CCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444327113 1066449930 /nfs/dbraw/zinc/44/99/30/1066449930.db2.gz LKQDCJXHGLJOCW-SFTDATJTSA-N 0 0 457.640 4.935 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC001455910352 1066450102 /nfs/dbraw/zinc/45/01/02/1066450102.db2.gz MOGKEHCFYSEMND-AMFYOEQGSA-N 0 0 467.379 4.532 20 0 JJADRN CCCC[C@@H](COC)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001444327618 1066450107 /nfs/dbraw/zinc/45/01/07/1066450107.db2.gz ZLYYWNIAUPPHSJ-DFBJGRDBSA-N 0 0 450.579 4.721 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3cccc(CSC4CCCC4)c3)cc12 ZINC001444328043 1066450123 /nfs/dbraw/zinc/45/01/23/1066450123.db2.gz JHQYSFAUZRWIPX-OAHLLOKOSA-N 0 0 456.637 4.876 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(Cn2cncn2)cc1 ZINC001361153936 1066450251 /nfs/dbraw/zinc/45/02/51/1066450251.db2.gz WDVZYFCSOBDRDX-MRXNPFEDSA-N 0 0 458.209 4.688 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)NCc3cc(F)ccc3N3CCOCC3)cc2)n1 ZINC001444330440 1066450332 /nfs/dbraw/zinc/45/03/32/1066450332.db2.gz XYBWFRZZURVNLS-UHFFFAOYSA-N 0 0 457.596 4.650 20 0 JJADRN O=C(COCCOc1ccccc1)O[C@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001361153657 1066450415 /nfs/dbraw/zinc/45/04/15/1066450415.db2.gz MKCYZYXQLKHRTF-QGZVFWFLSA-N 0 0 451.210 4.830 20 0 JJADRN CC(C)COc1ccc([C@@H](C)OC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC001361153581 1066450428 /nfs/dbraw/zinc/45/04/28/1066450428.db2.gz JTACBXOQNHZFNP-YLJYHZDGSA-N 0 0 451.610 4.631 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@]3(C)CCOC4(CCC4)C3)ccc2C)c1 ZINC001455915902 1066450461 /nfs/dbraw/zinc/45/04/61/1066450461.db2.gz KMNKZIZJOCKHGS-DEOSSOPVSA-N 0 0 456.608 4.573 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(OC)CCOC2)C1 ZINC001546077537 1066450482 /nfs/dbraw/zinc/45/04/82/1066450482.db2.gz QPKITRBDTNHZOD-CLJLJLNGSA-N 0 0 456.631 4.721 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCCc1cc2ccccc2o1 ZINC001444337621 1066451095 /nfs/dbraw/zinc/45/10/95/1066451095.db2.gz YEVXVPJMSPXSLT-UHFFFAOYSA-N 0 0 455.679 4.672 20 0 JJADRN C[C@H](C(=O)N1CCS[C@@]1(C)Cc1ccccc1)c1ccc(I)cc1 ZINC001455920803 1066451242 /nfs/dbraw/zinc/45/12/42/1066451242.db2.gz JCABSHVILMYUHM-YWZLYKJASA-N 0 0 451.373 4.929 20 0 JJADRN C[C@H](C(=O)N1CCS[C@]1(C)Cc1ccccc1)c1ccc(I)cc1 ZINC001455920793 1066451276 /nfs/dbraw/zinc/45/12/76/1066451276.db2.gz JCABSHVILMYUHM-MGPUTAFESA-N 0 0 451.373 4.929 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@]3(C)CCOC4(CCC4)C3)c2)c1 ZINC001455922564 1066451659 /nfs/dbraw/zinc/45/16/59/1066451659.db2.gz UZVUWTYKCADVBL-XMMPIXPASA-N 0 0 456.608 4.573 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001455923029 1066451731 /nfs/dbraw/zinc/45/17/31/1066451731.db2.gz XQNXULHALZIQDD-UHFFFAOYSA-N 0 0 456.362 4.581 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)s1 ZINC001444342281 1066451714 /nfs/dbraw/zinc/45/17/14/1066451714.db2.gz DDSOJPUHCQLPPJ-JOCHJYFZSA-N 0 0 457.640 4.529 20 0 JJADRN O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1c(Br)nc2n1CCCC2 ZINC001444343215 1066451808 /nfs/dbraw/zinc/45/18/08/1066451808.db2.gz SCHGMLRNUWHCBC-LJQANCHMSA-N 0 0 454.368 4.670 20 0 JJADRN C[C@@H](Oc1ccc(C=O)cc1)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001444343826 1066451826 /nfs/dbraw/zinc/45/18/26/1066451826.db2.gz ULHPIXVLCIMYKY-OAQYLSRUSA-N 0 0 459.542 4.668 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001361155060 1066452455 /nfs/dbraw/zinc/45/24/55/1066452455.db2.gz KDCDCYQMWBUBFN-SANMLTNESA-N 0 0 458.647 4.665 20 0 JJADRN CCn1cc(Cl)c(NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)n1 ZINC001455927123 1066452576 /nfs/dbraw/zinc/45/25/76/1066452576.db2.gz AXBFFYSNRVJVBX-UHFFFAOYSA-N 0 0 453.996 4.688 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2OCCC2(C)C)c1 ZINC001361154982 1066452572 /nfs/dbraw/zinc/45/25/72/1066452572.db2.gz HYSJUXSPEYLQKW-HSZRJFAPSA-N 0 0 456.631 4.683 20 0 JJADRN CC(C)n1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC001455930222 1066453148 /nfs/dbraw/zinc/45/31/48/1066453148.db2.gz XKYVYVDFNOALQM-UHFFFAOYSA-N 0 0 453.351 4.824 20 0 JJADRN O=C(NCCNc1nccc(C(F)(F)F)n1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001444349452 1066453026 /nfs/dbraw/zinc/45/30/26/1066453026.db2.gz PMZJFSNALCYLSW-GOSISDBHSA-N 0 0 450.461 4.696 20 0 JJADRN Cc1nccn1CCCn1c(COc2cc(C)ccc2C)nnc1N1CCC=C(Br)C1 ZINC001361155283 1066453646 /nfs/dbraw/zinc/45/36/46/1066453646.db2.gz AEZKFKICSYCAEP-UHFFFAOYSA-N 0 0 485.430 4.558 20 0 JJADRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001455932518 1066453867 /nfs/dbraw/zinc/45/38/67/1066453867.db2.gz IFAGJIKLLCZICN-JOCHJYFZSA-N 0 0 454.567 4.743 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361155326 1066453846 /nfs/dbraw/zinc/45/38/46/1066453846.db2.gz ANZURLPBCHWCFH-ZRBLBEILSA-N 0 0 470.658 4.930 20 0 JJADRN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC001455933907 1066454372 /nfs/dbraw/zinc/45/43/72/1066454372.db2.gz LBYZHLALNJMQCZ-CYBMUJFWSA-N 0 0 453.297 4.689 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966929 1066454421 /nfs/dbraw/zinc/45/44/21/1066454421.db2.gz MPDLDLURMHGAJG-PKOBYXMFSA-N 0 0 485.629 4.850 20 0 JJADRN CCCN(CC)c1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cn1 ZINC001444364427 1066455267 /nfs/dbraw/zinc/45/52/67/1066455267.db2.gz PGIOUVUKUIOCIN-UHFFFAOYSA-N 0 0 453.564 4.766 20 0 JJADRN CC(C)C[C@H]1CCCCCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC001444364360 1066455279 /nfs/dbraw/zinc/45/52/79/1066455279.db2.gz OKSHBWSGCTWPRQ-HXUWFJFHSA-N 0 0 453.612 4.891 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)[C@H](CC)c3ccncc3)c2)cc1 ZINC001444364581 1066455285 /nfs/dbraw/zinc/45/52/85/1066455285.db2.gz QDXBVCBNNSZWDP-HSZRJFAPSA-N 0 0 453.564 4.504 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001444362184 1066455299 /nfs/dbraw/zinc/45/52/99/1066455299.db2.gz QKBVAYWJLOQXGP-MRXNPFEDSA-N 0 0 450.967 4.946 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@H]2C[C@H]2C)c1 ZINC001361155634 1066455681 /nfs/dbraw/zinc/45/56/81/1066455681.db2.gz FLAZXZHQFAXPJO-NJYVYQBISA-N 0 0 469.630 4.796 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361155810 1066456364 /nfs/dbraw/zinc/45/63/64/1066456364.db2.gz GUTLLIISCLIUCH-MHECFPHRSA-N 0 0 476.593 4.925 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)C(C)(C)Cc3ccc(Br)cc3)c2)cn1 ZINC001455940714 1066456979 /nfs/dbraw/zinc/45/69/79/1066456979.db2.gz QSVJJWUTQUFMSM-UHFFFAOYSA-N 0 0 456.340 4.609 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC001455940679 1066456987 /nfs/dbraw/zinc/45/69/87/1066456987.db2.gz HYIGREUKIJVGGF-UHFFFAOYSA-N 0 0 453.436 4.810 20 0 JJADRN Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](CS(C)(=O)=O)c3ccccc3)cc2c1 ZINC001444393306 1066457432 /nfs/dbraw/zinc/45/74/32/1066457432.db2.gz XDBIKHVSQWZMCC-QHCPKHFHSA-N 0 0 451.544 4.691 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](C(F)F)C2)cs1 ZINC001361156150 1066457653 /nfs/dbraw/zinc/45/76/53/1066457653.db2.gz ORISZEHVYWAFIA-SFHVURJKSA-N 0 0 461.582 4.963 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444401915 1066458084 /nfs/dbraw/zinc/45/80/84/1066458084.db2.gz JHOWPPUEXPTZCI-JEYLPNPQSA-N 0 0 457.384 4.719 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001455949983 1066458090 /nfs/dbraw/zinc/45/80/90/1066458090.db2.gz PTHIZELZOUKVTM-UHFFFAOYSA-N 0 0 456.867 4.805 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967033 1066458096 /nfs/dbraw/zinc/45/80/96/1066458096.db2.gz OTZAQTYKWYPLAP-IEBWSBKVSA-N 0 0 471.602 4.604 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001455949641 1066458220 /nfs/dbraw/zinc/45/82/20/1066458220.db2.gz GGJDOOYCNGHXPT-UHFFFAOYSA-N 0 0 453.436 4.810 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361156234 1066458231 /nfs/dbraw/zinc/45/82/31/1066458231.db2.gz QSAODQSTFNUWKD-QHCPKHFHSA-N 0 0 450.631 4.713 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361156233 1066458270 /nfs/dbraw/zinc/45/82/70/1066458270.db2.gz QSAODQSTFNUWKD-HSZRJFAPSA-N 0 0 450.631 4.713 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC001444402708 1066458944 /nfs/dbraw/zinc/45/89/44/1066458944.db2.gz MBTASRFCCXQFGY-PNXXNBOHSA-N 0 0 451.405 4.679 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(Cl)c(OC)c2)C1 ZINC001546077867 1066458872 /nfs/dbraw/zinc/45/88/72/1066458872.db2.gz XHKDTRQEKOHHMM-DEOSSOPVSA-N 0 0 488.057 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(F)(F)F ZINC001455951366 1066459006 /nfs/dbraw/zinc/45/90/06/1066459006.db2.gz IYNDFEATYGQGBB-YSZBQJHXSA-N 0 0 452.517 4.729 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2CC[C@H](C)C2)c1 ZINC001361156567 1066459274 /nfs/dbraw/zinc/45/92/74/1066459274.db2.gz YOSQZSQVDLHQSP-NKKJXINNSA-N 0 0 481.685 4.899 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2CC[C@@H](C)C2)c1 ZINC001361156566 1066459390 /nfs/dbraw/zinc/45/93/90/1066459390.db2.gz YOSQZSQVDLHQSP-FGCOXFRFSA-N 0 0 481.685 4.899 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1Cl ZINC001455952869 1066459357 /nfs/dbraw/zinc/45/93/57/1066459357.db2.gz BAFZWMNUKJRKHP-UHFFFAOYSA-N 0 0 451.878 4.853 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1C ZINC001455953481 1066459374 /nfs/dbraw/zinc/45/93/74/1066459374.db2.gz MBNQZPIHXZURBL-JOCHJYFZSA-N 0 0 456.505 4.715 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455951830 1066459407 /nfs/dbraw/zinc/45/94/07/1066459407.db2.gz JLAPVQAMBNAWIE-OPAMFIHVSA-N 0 0 458.521 4.712 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(COC3CCCC3)cc2)c1 ZINC001444406469 1066459367 /nfs/dbraw/zinc/45/93/67/1066459367.db2.gz JGNAXSDFUVCVRM-UHFFFAOYSA-N 0 0 452.580 4.774 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(NCc3ccsc3)cc2)cc1S(=O)(=O)NC(C)(C)C ZINC001444405568 1066459437 /nfs/dbraw/zinc/45/94/37/1066459437.db2.gz GBHCRIZKEQCKFB-UHFFFAOYSA-N 0 0 457.621 4.998 20 0 JJADRN CCOC(=O)C1(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)CCOCC1 ZINC001444405579 1066459493 /nfs/dbraw/zinc/45/94/93/1066459493.db2.gz GSBXJTNOHFTMTF-HXUWFJFHSA-N 0 0 454.567 4.879 20 0 JJADRN C/C(=C/C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1)c1ccccc1C(F)(F)F ZINC001444405534 1066459503 /nfs/dbraw/zinc/45/95/03/1066459503.db2.gz SBFOHNARFJSHHM-PEZBUJJGSA-N 0 0 450.505 4.524 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1 ZINC001455956827 1066460177 /nfs/dbraw/zinc/46/01/77/1066460177.db2.gz PQAACWOGCBQXCV-QFIPXVFZSA-N 0 0 453.384 4.778 20 0 JJADRN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1OCCC(C)C ZINC001444409747 1066460192 /nfs/dbraw/zinc/46/01/92/1066460192.db2.gz NHXYXIQPYMIGEK-UHFFFAOYSA-N 0 0 454.592 4.880 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)OC ZINC001545967161 1066461426 /nfs/dbraw/zinc/46/14/26/1066461426.db2.gz REVROEHUEGAXKH-SFTDATJTSA-N 0 0 474.646 4.950 20 0 JJADRN CC(C)(CC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)NC(=O)OCc1ccccc1 ZINC001455964501 1066461846 /nfs/dbraw/zinc/46/18/46/1066461846.db2.gz GOXFVNHZWPASSM-UHFFFAOYSA-N 0 0 450.579 4.988 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC001444442360 1066461812 /nfs/dbraw/zinc/46/18/12/1066461812.db2.gz MZEBKAKCIZIMLD-KBMXLJTQSA-N 0 0 453.461 4.707 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001444435218 1066461934 /nfs/dbraw/zinc/46/19/34/1066461934.db2.gz GCFZEDBVIFQOFS-KOSHJBKYSA-N 0 0 455.514 4.699 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001444461461 1066462629 /nfs/dbraw/zinc/46/26/29/1066462629.db2.gz UJIKHGYFKASIOA-UHFFFAOYSA-N 0 0 459.590 4.648 20 0 JJADRN O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001455964567 1066462633 /nfs/dbraw/zinc/46/26/33/1066462633.db2.gz HJOOVBGNLIGZEF-UHFFFAOYSA-N 0 0 452.448 4.881 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001455964754 1066462644 /nfs/dbraw/zinc/46/26/44/1066462644.db2.gz BQIAVDLLOWTAAI-UHFFFAOYSA-N 0 0 455.568 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361159017 1066463164 /nfs/dbraw/zinc/46/31/64/1066463164.db2.gz MHSBQCVSLDLZQL-DEOSSOPVSA-N 0 0 497.684 4.518 20 0 JJADRN COc1ccc(SCCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC001455968408 1066463025 /nfs/dbraw/zinc/46/30/25/1066463025.db2.gz AFFYIJMJAHEADV-LJQANCHMSA-N 0 0 453.564 4.990 20 0 JJADRN Cc1nc(C2CC2)ccc1C(=O)Nc1cc(I)ccc1Br ZINC001455970428 1066463991 /nfs/dbraw/zinc/46/39/91/1066463991.db2.gz QQTYMDCZHBSFTR-UHFFFAOYSA-N 0 0 457.109 4.887 20 0 JJADRN NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001455971964 1066464001 /nfs/dbraw/zinc/46/40/01/1066464001.db2.gz NKMKZMHHTDDLKZ-KRWDZBQOSA-N 0 0 451.320 4.546 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCSCCCO)c1 ZINC001361159399 1066463955 /nfs/dbraw/zinc/46/39/55/1066463955.db2.gz XWBJOBWEFYOQBC-SANMLTNESA-N 0 0 470.683 4.916 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CC[C@H](C)C2)c1 ZINC001361159709 1066464473 /nfs/dbraw/zinc/46/44/73/1066464473.db2.gz IHHPZOVXRGHBDH-FXAWDEMLSA-N 0 0 465.564 4.594 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001444474146 1066464546 /nfs/dbraw/zinc/46/45/46/1066464546.db2.gz ZLZLWRGUXOIWMX-FQEVSTJZSA-N 0 0 451.983 4.680 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)nnn1-c1cccc(Cl)c1 ZINC001444473670 1066464558 /nfs/dbraw/zinc/46/45/58/1066464558.db2.gz BFMQKRKWXIMFCH-GOSISDBHSA-N 0 0 457.937 4.856 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001455977719 1066465149 /nfs/dbraw/zinc/46/51/49/1066465149.db2.gz PKVSBUJDFNTHEV-UHFFFAOYSA-N 0 0 457.864 4.979 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(c4ccccn4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361159811 1066465193 /nfs/dbraw/zinc/46/51/93/1066465193.db2.gz LAQNPMCIYQNQKT-UHFFFAOYSA-N 0 0 462.642 4.878 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CC[C@@H](C)C2)c1 ZINC001361159712 1066465213 /nfs/dbraw/zinc/46/52/13/1066465213.db2.gz IHHPZOVXRGHBDH-YLJYHZDGSA-N 0 0 465.564 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)on2)CC1 ZINC001444480330 1066465170 /nfs/dbraw/zinc/46/51/70/1066465170.db2.gz HHDDCOREHQVJTI-NHCUHLMSSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC001444477289 1066465249 /nfs/dbraw/zinc/46/52/49/1066465249.db2.gz HTLULYHEJDMOSK-XMSQKQJNSA-N 0 0 457.546 4.930 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361159820 1066465241 /nfs/dbraw/zinc/46/52/41/1066465241.db2.gz LDUSEYVZWOCXJU-GOTSBHOMSA-N 0 0 481.685 4.993 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)C2)c1 ZINC001444478897 1066465275 /nfs/dbraw/zinc/46/52/75/1066465275.db2.gz ITOPLYLCXZGBLM-RXVVDRJESA-N 0 0 454.546 4.608 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)n2CCC(C)C)c1 ZINC001361159997 1066465715 /nfs/dbraw/zinc/46/57/15/1066465715.db2.gz QZCKXRJRJBKVNR-JOCHJYFZSA-N 0 0 495.672 4.910 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967484 1066465928 /nfs/dbraw/zinc/46/59/28/1066465928.db2.gz YRCQAZVUGBLRRO-IBGZPJMESA-N 0 0 487.645 4.651 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2C[C@H]2C)c1 ZINC001361159994 1066465834 /nfs/dbraw/zinc/46/58/34/1066465834.db2.gz QVPGOYYOQHQXPY-NJDAHSKKSA-N 0 0 469.630 4.576 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCSC(C)C)c1 ZINC001361160023 1066466478 /nfs/dbraw/zinc/46/64/78/1066466478.db2.gz RZYHFQSWEWOGAO-IBGZPJMESA-N 0 0 485.620 4.688 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC001455982126 1066466563 /nfs/dbraw/zinc/46/65/63/1066466563.db2.gz DKWSBBCXYWMCGO-UHFFFAOYSA-N 0 0 450.516 4.614 20 0 JJADRN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444493156 1066466778 /nfs/dbraw/zinc/46/67/78/1066466778.db2.gz XEVGTROXPMLSMC-YADARESESA-N 0 0 452.551 4.768 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCC2(O)CCCCC2)cc1 ZINC001444492439 1066466813 /nfs/dbraw/zinc/46/68/13/1066466813.db2.gz HSASSVGMQXOQHZ-UHFFFAOYSA-N 0 0 458.624 4.518 20 0 JJADRN CON(C[C@H]1CCCc2ccccc21)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001455984613 1066467145 /nfs/dbraw/zinc/46/71/45/1066467145.db2.gz WKNCIBGRTDUYJI-OAQYLSRUSA-N 0 0 450.560 4.611 20 0 JJADRN CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C(=O)CCCc1cc(Cl)sc1Cl ZINC001361161464 1066467115 /nfs/dbraw/zinc/46/71/15/1066467115.db2.gz YYLMFRPQMXHNFS-LLVKDONJSA-N 0 0 455.363 4.928 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC001444493843 1066467619 /nfs/dbraw/zinc/46/76/19/1066467619.db2.gz YCASSZCWNGNXER-SFHVURJKSA-N 0 0 451.405 4.633 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)s1 ZINC001444496460 1066467640 /nfs/dbraw/zinc/46/76/40/1066467640.db2.gz ASYIQXAZAYCUJH-DYESRHJHSA-N 0 0 451.592 4.800 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001455988704 1066467817 /nfs/dbraw/zinc/46/78/17/1066467817.db2.gz HRIZWBFDULVFDU-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001455989621 1066468496 /nfs/dbraw/zinc/46/84/96/1066468496.db2.gz JTDVRLPSJIQVHG-ACCUITESSA-N 0 0 451.276 4.885 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001455990325 1066468508 /nfs/dbraw/zinc/46/85/08/1066468508.db2.gz LSNOOPTVWZRPLT-UHFFFAOYSA-N 0 0 453.970 4.690 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc3[nH]cc(I)c3c2)s1 ZINC001444500391 1066468795 /nfs/dbraw/zinc/46/87/95/1066468795.db2.gz IHZZBRHAMNOFPO-NSHDSACASA-N 0 0 453.349 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCCSCC(C)C)c1 ZINC001361162194 1066468945 /nfs/dbraw/zinc/46/89/45/1066468945.db2.gz KGDFHMWIMUFMJN-ATIYNZHBSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2ccc(Cl)nc2)c1 ZINC001361162087 1066469038 /nfs/dbraw/zinc/46/90/38/1066469038.db2.gz HNUNELAXLWEYDQ-GOSISDBHSA-N 0 0 455.990 4.574 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)[C@H](Cc2cccnc2)C2CCCC2)c1 ZINC001455995712 1066469062 /nfs/dbraw/zinc/46/90/62/1066469062.db2.gz IPVLIRRBXQUZOT-HSZRJFAPSA-N 0 0 453.583 4.973 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1F ZINC001455993339 1066469087 /nfs/dbraw/zinc/46/90/87/1066469087.db2.gz QPTUUWYJIAYLFO-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC4(C3)CCCCCC4)n2CCC(=O)NC(C)(C)C)c1 ZINC001361162248 1066469597 /nfs/dbraw/zinc/46/95/97/1066469597.db2.gz LQCUUOAPRRZGHY-UHFFFAOYSA-N 0 0 497.684 4.708 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361162216 1066469618 /nfs/dbraw/zinc/46/96/18/1066469618.db2.gz KRTUWFMAHOWMAX-XMMPIXPASA-N 0 0 497.684 4.518 20 0 JJADRN C[C@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)C(=O)c1ccc(Cl)cc1 ZINC001444507317 1066469659 /nfs/dbraw/zinc/46/96/59/1066469659.db2.gz AWYCJIMDGYJVIF-IERDGZPVSA-N 0 0 454.954 4.504 20 0 JJADRN CN(C)C(=O)Sc1ccccc1NC(=O)c1cc(Br)cnc1Br ZINC001455998974 1066469748 /nfs/dbraw/zinc/46/97/48/1066469748.db2.gz NXGNPKUFCINEBS-UHFFFAOYSA-N 0 0 459.163 4.633 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCSC[C@H]2C)c(C)o1 ZINC001361162355 1066470091 /nfs/dbraw/zinc/47/00/91/1066470091.db2.gz AJSPWWAUXIGNHU-CJAUYULYSA-N 0 0 470.639 4.533 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CC(=O)NC2CCCCC2)c1 ZINC001361162444 1066470157 /nfs/dbraw/zinc/47/01/57/1066470157.db2.gz CATTXVDYNAYINM-QHCPKHFHSA-N 0 0 485.698 4.501 20 0 JJADRN CCCN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509018 1066470151 /nfs/dbraw/zinc/47/01/51/1066470151.db2.gz PXFJLQXROMVVFY-MGPUTAFESA-N 0 0 453.414 4.790 20 0 JJADRN CCCN(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444508976 1066470231 /nfs/dbraw/zinc/47/02/31/1066470231.db2.gz PRRHZPRVMXPOIU-ZDUSSCGKSA-N 0 0 454.379 4.658 20 0 JJADRN COc1ccc(CCNC(=O)CCCCc2ccc(I)cc2)cc1F ZINC001456005872 1066470246 /nfs/dbraw/zinc/47/02/46/1066470246.db2.gz KUBLVKMTJOGNTA-UHFFFAOYSA-N 0 0 455.311 4.511 20 0 JJADRN COc1ccc(C2(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)CC2)cc1 ZINC001456004631 1066470261 /nfs/dbraw/zinc/47/02/61/1066470261.db2.gz GHWUGMJXDHMAJT-UHFFFAOYSA-N 0 0 455.308 4.722 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CCSC(C)(C)C1 ZINC001361162578 1066470228 /nfs/dbraw/zinc/47/02/28/1066470228.db2.gz DBUOCZQRWUKRSJ-UHFFFAOYSA-N 0 0 497.665 4.527 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444511867 1066470872 /nfs/dbraw/zinc/47/08/72/1066470872.db2.gz HJXODNJTLBXTLL-IRYIGKPUSA-N 0 0 459.587 4.858 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361162923 1066470897 /nfs/dbraw/zinc/47/08/97/1066470897.db2.gz INIPPXOGAJSZHS-JOCHJYFZSA-N 0 0 455.603 4.634 20 0 JJADRN CCN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccccc21 ZINC001456011357 1066471633 /nfs/dbraw/zinc/47/16/33/1066471633.db2.gz OBBFFIHIIPJBFL-UHFFFAOYSA-N 0 0 452.908 4.843 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COc1cccc(Cl)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012361 1066471702 /nfs/dbraw/zinc/47/17/02/1066471702.db2.gz ABLUQIKCPYNYEJ-MZNJEOGPSA-N 0 0 458.002 4.797 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)ccn1 ZINC001456015481 1066473198 /nfs/dbraw/zinc/47/31/98/1066473198.db2.gz CNUGYTHEFVAHCE-UHFFFAOYSA-N 0 0 450.423 4.612 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCc2ccccc2)cn1 ZINC001456014982 1066473339 /nfs/dbraw/zinc/47/33/39/1066473339.db2.gz ASDZIRATLKVJKP-SANMLTNESA-N 0 0 451.526 4.640 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@H]3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361164018 1066474024 /nfs/dbraw/zinc/47/40/24/1066474024.db2.gz SVFULDLBVWRKDH-MQSCRBSSSA-N 0 0 470.658 4.929 20 0 JJADRN C[C@@H](C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1)c1cccc(F)c1 ZINC001444546803 1066474321 /nfs/dbraw/zinc/47/43/21/1066474321.db2.gz FAPYOVISBGBOGM-OAHLLOKOSA-N 0 0 454.439 4.764 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H]2OCC[C@H]2C)c1 ZINC001361164155 1066474963 /nfs/dbraw/zinc/47/49/63/1066474963.db2.gz WZWBQKJLHHWMKP-SOAMZJECSA-N 0 0 452.521 4.534 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnc(-c2ccccc2Cl)nc1 ZINC001456016451 1066474921 /nfs/dbraw/zinc/47/49/21/1066474921.db2.gz HWERQOOLKJBJAD-HSZRJFAPSA-N 0 0 456.933 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361164190 1066475508 /nfs/dbraw/zinc/47/55/08/1066475508.db2.gz YAOBKDWMTZFFRX-HXUWFJFHSA-N 0 0 489.686 4.673 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1(C)C ZINC001444559410 1066475818 /nfs/dbraw/zinc/47/58/18/1066475818.db2.gz FEVGRVWHMHGMNE-RTWAWAEBSA-N 0 0 459.631 4.530 20 0 JJADRN C[C@@H](O)CN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001444558389 1066475827 /nfs/dbraw/zinc/47/58/27/1066475827.db2.gz DOWQRZNZRGVQEJ-NTKDMRAZSA-N 0 0 450.966 4.611 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)c2)cc1 ZINC001456019439 1066476339 /nfs/dbraw/zinc/47/63/39/1066476339.db2.gz RSSUGHYQOAYISW-AREMUKBSSA-N 0 0 451.526 4.737 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361165641 1066476456 /nfs/dbraw/zinc/47/64/56/1066476456.db2.gz JNTVJIGDZYZDAB-WMZHIEFXSA-N 0 0 452.603 4.792 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C)(c3ccc(C)cc3)CC2)n1 ZINC001361166100 1066477214 /nfs/dbraw/zinc/47/72/14/1066477214.db2.gz QCLUDWWFBBPOLO-LJQANCHMSA-N 0 0 480.682 4.851 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2Cc2ccsc2Br)c1 ZINC001361166236 1066477230 /nfs/dbraw/zinc/47/72/30/1066477230.db2.gz QYVPSTDOCGJHHI-UHFFFAOYSA-N 0 0 473.400 4.823 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)ccc1OCC(F)(F)F ZINC001444568628 1066477709 /nfs/dbraw/zinc/47/77/09/1066477709.db2.gz OVXYOWMHYCFAAX-OAHLLOKOSA-N 0 0 453.436 4.958 20 0 JJADRN CC[C@]1(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001444568377 1066477762 /nfs/dbraw/zinc/47/77/62/1066477762.db2.gz PLHVCVWUHCPEKV-HYBUGGRVSA-N 0 0 451.007 4.792 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(CC(C)(C)C)n3CCCN3CCOC3=O)CC2)cc1 ZINC001361166482 1066477720 /nfs/dbraw/zinc/47/77/20/1066477720.db2.gz WEJIGZIRJTXAED-UHFFFAOYSA-N 0 0 453.631 4.576 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456020694 1066477660 /nfs/dbraw/zinc/47/76/60/1066477660.db2.gz XJTLRKJQQRIVMP-QFIPXVFZSA-N 0 0 451.364 4.748 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456020773 1066477685 /nfs/dbraw/zinc/47/76/85/1066477685.db2.gz SUJUBMUYMSFWDR-KGVIQGDOSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@H]4CCCCO4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166730 1066478304 /nfs/dbraw/zinc/47/83/04/1066478304.db2.gz ZURSJHMVNURAOG-OAQYLSRUSA-N 0 0 479.591 4.880 20 0 JJADRN Cc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)cc1 ZINC001444572679 1066478634 /nfs/dbraw/zinc/47/86/34/1066478634.db2.gz UQEHTOYUISGTHC-UHFFFAOYSA-N 0 0 457.481 4.535 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C)NC(N)=O ZINC001444570866 1066478838 /nfs/dbraw/zinc/47/88/38/1066478838.db2.gz VQJPTHWEHRHHRG-OAQYLSRUSA-N 0 0 459.525 4.734 20 0 JJADRN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)cs2)cc1 ZINC001456022472 1066479089 /nfs/dbraw/zinc/47/90/89/1066479089.db2.gz VQTLDCYQXMKCIB-UHFFFAOYSA-N 0 0 459.568 4.865 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001456022179 1066479118 /nfs/dbraw/zinc/47/91/18/1066479118.db2.gz YLHQOPFZDRGUCJ-UHFFFAOYSA-N 0 0 456.609 4.612 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)CCCCc2cccc(O)c2)C1 ZINC001456023065 1066479758 /nfs/dbraw/zinc/47/97/58/1066479758.db2.gz CJQXQXQJJHSZMG-IBGZPJMESA-N 0 0 456.558 4.974 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)s2)cc1 ZINC001456022952 1066479848 /nfs/dbraw/zinc/47/98/48/1066479848.db2.gz SLSOALGCIMQYET-UHFFFAOYSA-N 0 0 454.939 4.803 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3CCSCC(F)(F)F)C2)cc1 ZINC001361167145 1066479836 /nfs/dbraw/zinc/47/98/36/1066479836.db2.gz IINPGKJUXNIHEA-OAQYLSRUSA-N 0 0 497.974 4.695 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)COCC3CCCCC3)cc2)c1 ZINC001456025012 1066480448 /nfs/dbraw/zinc/48/04/48/1066480448.db2.gz LMMZKJYCFQCUGB-FQEVSTJZSA-N 0 0 458.624 4.819 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)COCC3CCCCC3)cc2)cc1C ZINC001456024441 1066480717 /nfs/dbraw/zinc/48/07/17/1066480717.db2.gz KDRHTFTWJGBGLK-FQEVSTJZSA-N 0 0 458.624 4.819 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)cc1 ZINC001456025687 1066480745 /nfs/dbraw/zinc/48/07/45/1066480745.db2.gz HDPLETFELVRQBB-UHFFFAOYSA-N 0 0 456.955 4.614 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001444605628 1066480920 /nfs/dbraw/zinc/48/09/20/1066480920.db2.gz JIKXEZRUSLSCRM-ABAIWWIYSA-N 0 0 450.885 4.849 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444607361 1066481530 /nfs/dbraw/zinc/48/15/30/1066481530.db2.gz JVTRWJMHHVYLII-SIKLNZKXSA-N 0 0 458.961 4.745 20 0 JJADRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC001444606372 1066481642 /nfs/dbraw/zinc/48/16/42/1066481642.db2.gz RQEAXAFCQBJUGE-MRXNPFEDSA-N 0 0 457.299 4.978 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444607357 1066481700 /nfs/dbraw/zinc/48/17/00/1066481700.db2.gz JVTRWJMHHVYLII-KNQAVFIVSA-N 0 0 458.961 4.745 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)c1ccccc1S(=O)(=O)CC ZINC001361168723 1066481962 /nfs/dbraw/zinc/48/19/62/1066481962.db2.gz KQLFPJBUGCNVQB-UHFFFAOYSA-N 0 0 450.988 4.785 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001456029783 1066482049 /nfs/dbraw/zinc/48/20/49/1066482049.db2.gz GVNMFXAMMUNEQO-AWEZNQCLSA-N 0 0 455.308 4.746 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001444609765 1066482105 /nfs/dbraw/zinc/48/21/05/1066482105.db2.gz NZQDVLQJMRCTPR-YJBOKZPZSA-N 0 0 451.633 4.610 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)c3cnn4cc(Br)cnc34)cc2)cc1 ZINC001361168823 1066482081 /nfs/dbraw/zinc/48/20/81/1066482081.db2.gz ZUKIVZADQVVPLL-UHFFFAOYSA-N 0 0 455.337 4.904 20 0 JJADRN COCCOc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029682 1066482229 /nfs/dbraw/zinc/48/22/29/1066482229.db2.gz FLLCPNCQQGWZPM-IBGZPJMESA-N 0 0 451.394 4.803 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001444610726 1066482222 /nfs/dbraw/zinc/48/22/22/1066482222.db2.gz QFQLLOQHTSRRSU-AVRDEDQJSA-N 0 0 454.567 4.756 20 0 JJADRN CCN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1S(=O)(=O)CC ZINC001361169076 1066482731 /nfs/dbraw/zinc/48/27/31/1066482731.db2.gz UVCGHASAERWPJF-UHFFFAOYSA-N 0 0 452.363 4.639 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCCC(C)C)cc1Br ZINC001361169427 1066482849 /nfs/dbraw/zinc/48/28/49/1066482849.db2.gz DHJNMRYJACWORS-SJORKVTESA-N 0 0 485.492 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361169381 1066482914 /nfs/dbraw/zinc/48/29/14/1066482914.db2.gz CDKYMNSUYQVSBU-ZOUQBQALSA-N 0 0 470.639 4.985 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC001456030505 1066482929 /nfs/dbraw/zinc/48/29/29/1066482929.db2.gz OGLNHEHDPRPUQB-UHFFFAOYSA-N 0 0 451.544 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCNS(=O)(=O)c2ccc(C)s2)o1 ZINC001361169515 1066483650 /nfs/dbraw/zinc/48/36/50/1066483650.db2.gz GOLWZSWEKFPCPN-IBGZPJMESA-N 0 0 499.662 4.701 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001456032128 1066483685 /nfs/dbraw/zinc/48/36/85/1066483685.db2.gz TYGCIIFLEPPLFA-HSZRJFAPSA-N 0 0 454.473 4.902 20 0 JJADRN Cc1c(C)c(NC(=O)c2cccn3cc(C(F)(F)F)nc23)ccc1I ZINC001456031404 1066483724 /nfs/dbraw/zinc/48/37/24/1066483724.db2.gz NSHSWJBNZASMKE-UHFFFAOYSA-N 0 0 459.209 4.827 20 0 JJADRN O=C(CCc1cn[nH]c1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444614555 1066483694 /nfs/dbraw/zinc/48/36/94/1066483694.db2.gz MNTJQPQTYGLSDD-IBGZPJMESA-N 0 0 450.739 4.998 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(CCc2ccccc2)[nH]n1 ZINC001444616124 1066483747 /nfs/dbraw/zinc/48/37/47/1066483747.db2.gz MEUDMAVWUBUHHZ-HHHXNRCGSA-N 0 0 454.574 4.670 20 0 JJADRN Cc1c(C)c(NC(=O)c2cccc(NC(=O)NC(C)C)c2)ccc1I ZINC001456030964 1066483756 /nfs/dbraw/zinc/48/37/56/1066483756.db2.gz UJZMCACASPTPRW-UHFFFAOYSA-N 0 0 451.308 4.690 20 0 JJADRN CC(C)C(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001456031054 1066483758 /nfs/dbraw/zinc/48/37/58/1066483758.db2.gz NTWGERNXHMLZLO-UHFFFAOYSA-N 0 0 452.558 4.708 20 0 JJADRN C[C@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444616722 1066484019 /nfs/dbraw/zinc/48/40/19/1066484019.db2.gz DJQWKMXDJGSOPU-MAUKXSAKSA-N 0 0 456.505 4.670 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001456033183 1066484209 /nfs/dbraw/zinc/48/42/09/1066484209.db2.gz SAZSODMKBUXFML-UHFFFAOYSA-N 0 0 453.498 4.598 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001361169898 1066484656 /nfs/dbraw/zinc/48/46/56/1066484656.db2.gz LNKISRVTLULTTI-QGZVFWFLSA-N 0 0 471.552 4.971 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3cc(C4CCCCCC4)[nH]n3)CC2=O)ccc1Br ZINC001444620974 1066484755 /nfs/dbraw/zinc/48/47/55/1066484755.db2.gz KLPRWXHTBBNRMX-INIZCTEOSA-N 0 0 459.388 4.910 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CCOc2ncccc2F)o1 ZINC001361169816 1066484674 /nfs/dbraw/zinc/48/46/74/1066484674.db2.gz BPPDBCQIWARVLB-QGZVFWFLSA-N 0 0 465.529 4.623 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2sccc2C)o1 ZINC001361169763 1066484736 /nfs/dbraw/zinc/48/47/36/1066484736.db2.gz KFNLAEMURKXHPM-QGZVFWFLSA-N 0 0 470.620 4.866 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)C1CC1)NC(=O)OC(C)(C)C ZINC001545968179 1066484799 /nfs/dbraw/zinc/48/47/99/1066484799.db2.gz AFKJUMUHFPDMHF-CQSZACIVSA-N 0 0 464.408 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2ccc(Cl)nc2)o1 ZINC001361170198 1066484964 /nfs/dbraw/zinc/48/49/64/1066484964.db2.gz NCPCGBNAMLDRCT-MRXNPFEDSA-N 0 0 485.997 4.544 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1C ZINC001456034464 1066485100 /nfs/dbraw/zinc/48/51/00/1066485100.db2.gz OYQQVSDUNQVWFK-UHFFFAOYSA-N 0 0 451.832 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCCc2cnn(C)n2)cc1Br ZINC001361170660 1066485788 /nfs/dbraw/zinc/48/57/88/1066485788.db2.gz IFWBFZQPXJMYKP-UZLBHIALSA-N 0 0 486.462 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(Br)cc(C(=O)Nc3ccsc3)cc2C1 ZINC001444631856 1066486081 /nfs/dbraw/zinc/48/60/81/1066486081.db2.gz DOZDHAGAYOCIQR-UHFFFAOYSA-N 0 0 453.358 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2CC2(C)COC2)o1 ZINC001361171309 1066486380 /nfs/dbraw/zinc/48/63/80/1066486380.db2.gz NSFKVPNLYPAUSX-KRWDZBQOSA-N 0 0 463.351 4.793 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1cc(-n2cccc2)ccc1Cl ZINC001456037611 1066486388 /nfs/dbraw/zinc/48/63/88/1066486388.db2.gz JCOLCFTTYXIBMU-UHFFFAOYSA-N 0 0 450.347 4.576 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC001456037547 1066486437 /nfs/dbraw/zinc/48/64/37/1066486437.db2.gz KTHKEOSQZRWQDF-ZDUSSCGKSA-N 0 0 458.219 4.519 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(F)c(I)c1 ZINC001361171072 1066486458 /nfs/dbraw/zinc/48/64/58/1066486458.db2.gz QLQCRYBUNMHPRB-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CCC2=CCCCC2)cc1Br ZINC001361171427 1066487368 /nfs/dbraw/zinc/48/73/68/1066487368.db2.gz PZWJRQASBGZPSM-INIZCTEOSA-N 0 0 460.420 4.607 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(N(C)CCC(F)(F)F)nnc3[C@]3(OC(C)C)CCOC3)co2)cc1 ZINC001361171209 1066487382 /nfs/dbraw/zinc/48/73/82/1066487382.db2.gz SXNATYDKBDQYQZ-QHCPKHFHSA-N 0 0 493.530 4.719 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc(Br)c1 ZINC001456041164 1066487934 /nfs/dbraw/zinc/48/79/34/1066487934.db2.gz WDFDDZCGICDEDL-OAHLLOKOSA-N 0 0 458.581 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2CCC2=CCCCC2)o1 ZINC001361171876 1066488067 /nfs/dbraw/zinc/48/80/67/1066488067.db2.gz XHBMRJCICADAFJ-SFHVURJKSA-N 0 0 469.611 4.582 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3Cc4ccccc4C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361172034 1066488776 /nfs/dbraw/zinc/48/87/76/1066488776.db2.gz WBFGNXWUDPYKHC-GOSISDBHSA-N 0 0 479.625 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361171929 1066488797 /nfs/dbraw/zinc/48/87/97/1066488797.db2.gz UJBTZNUVFDDTFL-HOCLYGCPSA-N 0 0 463.508 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCCC(C)(C)C)cc1Br ZINC001361172085 1066489241 /nfs/dbraw/zinc/48/92/41/1066489241.db2.gz WJAHAHHUNHJTRX-INIZCTEOSA-N 0 0 485.492 4.712 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361172024 1066489317 /nfs/dbraw/zinc/48/93/17/1066489317.db2.gz YBPRPNQPSRXPGY-QLCIJSRNSA-N 0 0 450.555 4.869 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001361172756 1066490058 /nfs/dbraw/zinc/49/00/58/1066490058.db2.gz JGYIYTHDQWXZTL-WNCULLNHSA-N 0 0 450.623 4.684 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456045310 1066490109 /nfs/dbraw/zinc/49/01/09/1066490109.db2.gz ARELQKIDIWEMTE-JLMWRMLUSA-N 0 0 459.409 4.575 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)[C@H]2CCOC2)sc1C ZINC001361173482 1066490617 /nfs/dbraw/zinc/49/06/17/1066490617.db2.gz HPJNATQNNDVCSX-KRWDZBQOSA-N 0 0 476.444 4.557 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(Cc3ccccc3F)s2)c1C ZINC001456046577 1066491218 /nfs/dbraw/zinc/49/12/18/1066491218.db2.gz FTHWCHBIPXELCB-LJQANCHMSA-N 0 0 455.580 4.644 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC(F)(F)Br)cc1Br ZINC001361174092 1066491311 /nfs/dbraw/zinc/49/13/11/1066491311.db2.gz MMUUWCDPKRKJKI-GFCCVEGCSA-N 0 0 496.219 4.945 20 0 JJADRN Cc1cc2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3C)oc2c(Br)c1 ZINC001456047167 1066491466 /nfs/dbraw/zinc/49/14/66/1066491466.db2.gz HGAPJYYITRWGHH-KRWDZBQOSA-N 0 0 459.365 4.966 20 0 JJADRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001456046933 1066491578 /nfs/dbraw/zinc/49/15/78/1066491578.db2.gz OHLGDORFWVTZLX-IBGZPJMESA-N 0 0 452.498 4.929 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001456046935 1066491659 /nfs/dbraw/zinc/49/16/59/1066491659.db2.gz OHLGDORFWVTZLX-LJQANCHMSA-N 0 0 452.498 4.929 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC001444670591 1066491558 /nfs/dbraw/zinc/49/15/58/1066491558.db2.gz GFYSTYLZOKCLKB-KRWDZBQOSA-N 0 0 451.741 4.568 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001456048993 1066492206 /nfs/dbraw/zinc/49/22/06/1066492206.db2.gz QHZMQEYXBXYVDW-AVRDEDQJSA-N 0 0 453.970 4.612 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001456048970 1066492274 /nfs/dbraw/zinc/49/22/74/1066492274.db2.gz XKXULRJHPCSARJ-QHCPKHFHSA-N 0 0 454.636 4.947 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001444677665 1066492319 /nfs/dbraw/zinc/49/23/19/1066492319.db2.gz UVFFYDYSRODYFO-KGLIPLIRSA-N 0 0 454.785 4.550 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)cc3)c(F)c2)cc1 ZINC001456049644 1066492677 /nfs/dbraw/zinc/49/26/77/1066492677.db2.gz OIASSFNOLVTPGM-HSZRJFAPSA-N 0 0 450.535 4.964 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2Cc2ncnn2C(C)(C)C)cc1Br ZINC001361175230 1066492679 /nfs/dbraw/zinc/49/26/79/1066492679.db2.gz HJKWJXMKCCTLFW-UHFFFAOYSA-N 0 0 460.424 4.503 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001444681085 1066492896 /nfs/dbraw/zinc/49/28/96/1066492896.db2.gz PHMOKURXWPFYDP-LJQANCHMSA-N 0 0 450.391 4.738 20 0 JJADRN Cn1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c(-c2ccncc2)n1 ZINC001444680616 1066492979 /nfs/dbraw/zinc/49/29/79/1066492979.db2.gz YSXJQIFUHHAPSB-UHFFFAOYSA-N 0 0 453.384 4.877 20 0 JJADRN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C1CC1 ZINC001456049779 1066493438 /nfs/dbraw/zinc/49/34/38/1066493438.db2.gz JWEINIFHFVCGGY-NRFANRHFSA-N 0 0 453.461 4.784 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2cc(Cl)ccc2Cl)c(C)c1 ZINC001456050581 1066493491 /nfs/dbraw/zinc/49/34/91/1066493491.db2.gz QFBWZDYNXRRMNJ-SFHVURJKSA-N 0 0 453.391 4.919 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001444689976 1066493539 /nfs/dbraw/zinc/49/35/39/1066493539.db2.gz UVQWASIWSVRGPK-INIZCTEOSA-N 0 0 450.343 4.957 20 0 JJADRN CO[C@@]1(C)C[C@@H](NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1(C)C ZINC001444695091 1066493633 /nfs/dbraw/zinc/49/36/33/1066493633.db2.gz BYTJGHPQHJLGBJ-AMGIVPHBSA-N 0 0 450.579 4.624 20 0 JJADRN CO[C@]1(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1(C)C ZINC001444695150 1066493986 /nfs/dbraw/zinc/49/39/86/1066493986.db2.gz BYTJGHPQHJLGBJ-WXVAWEFUSA-N 0 0 450.579 4.624 20 0 JJADRN CO[C@@]1(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1(C)C ZINC001444695115 1066493995 /nfs/dbraw/zinc/49/39/95/1066493995.db2.gz BYTJGHPQHJLGBJ-CUNXSJBXSA-N 0 0 450.579 4.624 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccnc(OCC2CC2)c1 ZINC001456053623 1066494541 /nfs/dbraw/zinc/49/45/41/1066494541.db2.gz FWSJRUFLJMPODK-UHFFFAOYSA-N 0 0 458.381 4.615 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)c3ccccc3n2)cc1OC ZINC001456053616 1066494553 /nfs/dbraw/zinc/49/45/53/1066494553.db2.gz FWOJFIFNACKFEI-INIZCTEOSA-N 0 0 450.535 4.769 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN(C)CC(F)(F)F)C1 ZINC001546078901 1066494603 /nfs/dbraw/zinc/49/46/03/1066494603.db2.gz BMFSAUQIKYREEX-QHCPKHFHSA-N 0 0 467.580 4.985 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC2(CCOCC2)CC[C@H]1CO ZINC001456053839 1066495097 /nfs/dbraw/zinc/49/50/97/1066495097.db2.gz CSPZOFYVWFOSFC-ZDUSSCGKSA-N 0 0 456.427 4.633 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OCc1ccccc1 ZINC001361177196 1066495143 /nfs/dbraw/zinc/49/51/43/1066495143.db2.gz WBHJRLLSFFMBMY-IBGZPJMESA-N 0 0 457.530 4.960 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2Cc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361177472 1066495825 /nfs/dbraw/zinc/49/58/25/1066495825.db2.gz FPLXYHJDTWIFKK-UHFFFAOYSA-N 0 0 478.500 4.632 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(F)F ZINC001361177538 1066495927 /nfs/dbraw/zinc/49/59/27/1066495927.db2.gz IAUIAHKKSCJZTM-UHFFFAOYSA-N 0 0 497.388 4.632 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001456055202 1066495938 /nfs/dbraw/zinc/49/59/38/1066495938.db2.gz RKVVPPMFWAFBFB-OYHNWAKOSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CCCCOC(C)C)cnn1C ZINC001361177686 1066496682 /nfs/dbraw/zinc/49/66/82/1066496682.db2.gz MTMFMODRERLNCP-UHFFFAOYSA-N 0 0 489.462 4.900 20 0 JJADRN COc1ccc([C@H](NC(=O)CNC(=O)c2ccc(F)cc2F)c2ccccc2Cl)c(C)c1 ZINC001444711060 1066496743 /nfs/dbraw/zinc/49/67/43/1066496743.db2.gz ZVNYVYJRUKPMTH-QHCPKHFHSA-N 0 0 458.892 4.571 20 0 JJADRN COc1cccc([C@@H](O)C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001444712472 1066496784 /nfs/dbraw/zinc/49/67/84/1066496784.db2.gz WCBAADWKKNGILO-ISKFKSNPSA-N 0 0 454.364 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2CCCOC2CCOCC2)o1 ZINC001361177711 1066497057 /nfs/dbraw/zinc/49/70/57/1066497057.db2.gz NQTSRDIKNWAEIN-UHFFFAOYSA-N 0 0 495.443 4.893 20 0 JJADRN C[C@@H](CC(=O)NCc1cc(N(C)C)nc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444722162 1066497348 /nfs/dbraw/zinc/49/73/48/1066497348.db2.gz QMQANBVRXXDPCG-RBUKOAKNSA-N 0 0 454.615 4.590 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1C ZINC001444726903 1066497526 /nfs/dbraw/zinc/49/75/26/1066497526.db2.gz XVGFYWSVROFFDQ-IBGZPJMESA-N 0 0 457.546 4.570 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)o1 ZINC001444724812 1066497530 /nfs/dbraw/zinc/49/75/30/1066497530.db2.gz AVQISZAHNVPCFM-UHFFFAOYSA-N 0 0 454.552 4.906 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1C ZINC001456060131 1066497945 /nfs/dbraw/zinc/49/79/45/1066497945.db2.gz WCBCBVWICHQESN-FQEVSTJZSA-N 0 0 455.580 4.644 20 0 JJADRN C[C@@H](CNC(=O)c1c[nH]c2cccc(Br)c12)Oc1ccc(Br)cc1 ZINC001444728893 1066498110 /nfs/dbraw/zinc/49/81/10/1066498110.db2.gz CHVNBKLEZLQAKF-NSHDSACASA-N 0 0 452.146 4.890 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361178125 1066498065 /nfs/dbraw/zinc/49/80/65/1066498065.db2.gz FXESEXPTJXBWML-DEOSSOPVSA-N 0 0 456.493 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2CCCN2CCCCC2=O)o1 ZINC001361178062 1066498260 /nfs/dbraw/zinc/49/82/60/1066498260.db2.gz YMLSCJHACJBGSY-UHFFFAOYSA-N 0 0 486.414 4.648 20 0 JJADRN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001444730978 1066498713 /nfs/dbraw/zinc/49/87/13/1066498713.db2.gz XQAGFPRXRQZAFV-SFHVURJKSA-N 0 0 452.414 4.655 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1C ZINC001444733388 1066498765 /nfs/dbraw/zinc/49/87/65/1066498765.db2.gz JHAGWZGTBLSEID-VITNCHFBSA-N 0 0 453.627 4.884 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361178186 1066498833 /nfs/dbraw/zinc/49/88/33/1066498833.db2.gz HYKQYZCYDMBTTD-UHFFFAOYSA-N 0 0 484.544 4.715 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCNC(=O)C(C)(C)C)o1 ZINC001361178473 1066498841 /nfs/dbraw/zinc/49/88/41/1066498841.db2.gz NDNPKCQVXDULLM-UHFFFAOYSA-N 0 0 463.504 4.664 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)NC(C)(C)C)c3cnn(C(C)C)c3n2)s1 ZINC001456061380 1066498919 /nfs/dbraw/zinc/49/89/19/1066498919.db2.gz VTPHPQNDVKBNQF-IBGZPJMESA-N 0 0 453.612 4.568 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361178767 1066499504 /nfs/dbraw/zinc/49/95/04/1066499504.db2.gz RVTUBNNOACTQJY-JGCGQSQUSA-N 0 0 466.554 4.632 20 0 JJADRN COC[C@](C)(O)CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC001444736355 1066499472 /nfs/dbraw/zinc/49/94/72/1066499472.db2.gz IGLMVKSESNAOMN-VXIGYJSRSA-N 0 0 454.929 4.641 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC001444734629 1066499485 /nfs/dbraw/zinc/49/94/85/1066499485.db2.gz UFKQIOLSWYQIRB-RDTXWAMCSA-N 0 0 450.764 4.519 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)Oc1ccc(Cl)cc1 ZINC001444736116 1066499559 /nfs/dbraw/zinc/49/95/59/1066499559.db2.gz VMBAAECXNWPRHY-YJYMSZOUSA-N 0 0 454.901 4.768 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)Oc1ccc(Cl)cc1 ZINC001444736110 1066499607 /nfs/dbraw/zinc/49/96/07/1066499607.db2.gz VMBAAECXNWPRHY-DJJJIMSYSA-N 0 0 454.901 4.768 20 0 JJADRN CCN(C(=O)CC1(CNC(=O)OC(C)(C)C)CC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456063052 1066499590 /nfs/dbraw/zinc/49/95/90/1066499590.db2.gz DERWGLHDVYJVMJ-JOCHJYFZSA-N 0 0 459.537 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@](C)(O)c2ccco2)o1 ZINC001361178907 1066499626 /nfs/dbraw/zinc/49/96/26/1066499626.db2.gz TVHUOJIEJGYXQB-QHCPKHFHSA-N 0 0 458.465 4.585 20 0 JJADRN CC[C@H](O)CCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001444739571 1066499984 /nfs/dbraw/zinc/49/99/84/1066499984.db2.gz FUDXERCCXBJNHS-IBGZPJMESA-N 0 0 450.579 4.505 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C)NC(=O)OC(C)(C)C ZINC001545968921 1066500080 /nfs/dbraw/zinc/50/00/80/1066500080.db2.gz NXXSSHIIEYTDLY-UGKGYDQZSA-N 0 0 493.656 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC001456067070 1066500590 /nfs/dbraw/zinc/50/05/90/1066500590.db2.gz LTZGALDNSUFMFO-GOSISDBHSA-N 0 0 452.393 4.545 20 0 JJADRN CCSCC[C@@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001361179854 1066500726 /nfs/dbraw/zinc/50/07/26/1066500726.db2.gz GZAFEMCVPZQUBD-OAHLLOKOSA-N 0 0 454.514 4.984 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC001444748578 1066500754 /nfs/dbraw/zinc/50/07/54/1066500754.db2.gz XYWQEAWPUOOBSL-JPYJTQIMSA-N 0 0 452.576 4.680 20 0 JJADRN CCc1csc(-n2cc(C(=O)N(CC)[C@H](c3cccnc3)c3ccc(F)cc3F)cn2)n1 ZINC001456069129 1066501045 /nfs/dbraw/zinc/50/10/45/1066501045.db2.gz YYAJIMMZHKGJEC-OAQYLSRUSA-N 0 0 453.518 4.816 20 0 JJADRN C[C@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1nc(C2CCCCC2)no1 ZINC001361180402 1066501156 /nfs/dbraw/zinc/50/11/56/1066501156.db2.gz XPJWMZFIMZONKR-OYHNWAKOSA-N 0 0 451.489 4.963 20 0 JJADRN C[C@@H](O)CC(C)(C)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001444751379 1066501172 /nfs/dbraw/zinc/50/11/72/1066501172.db2.gz SOQOZMGAGKSNFL-LLVKDONJSA-N 0 0 453.839 4.706 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)C2CC2)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456069131 1066501095 /nfs/dbraw/zinc/50/10/95/1066501095.db2.gz ZDNLAKTWRKAVHU-DEOSSOPVSA-N 0 0 452.551 4.717 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 ZINC001456069992 1066501670 /nfs/dbraw/zinc/50/16/70/1066501670.db2.gz CHWNCIJDPCXMED-SANMLTNESA-N 0 0 456.521 4.581 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001444763358 1066502209 /nfs/dbraw/zinc/50/22/09/1066502209.db2.gz CPLHJZGWVLQOQE-OAQYLSRUSA-N 0 0 451.369 4.978 20 0 JJADRN CCN(C(=O)CCc1nnc(C(C)C)o1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456072396 1066502551 /nfs/dbraw/zinc/50/25/51/1066502551.db2.gz KRGNBAMAWOKNFU-OAQYLSRUSA-N 0 0 457.372 4.921 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC(C3CCCC3)C3CCCC3)cc2)cc1 ZINC001456072287 1066502771 /nfs/dbraw/zinc/50/27/71/1066502771.db2.gz APBYBLHVTZEDOH-UHFFFAOYSA-N 0 0 456.608 4.975 20 0 JJADRN CCN(C(=O)C(=O)c1ccccc1OC)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456072636 1066503155 /nfs/dbraw/zinc/50/31/55/1066503155.db2.gz LFBPGMMSKPAYCJ-OAQYLSRUSA-N 0 0 453.336 4.674 20 0 JJADRN CCN(C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075440 1066503608 /nfs/dbraw/zinc/50/36/08/1066503608.db2.gz OYGJEYMHSADEKE-OFNKIYASSA-N 0 0 454.979 4.634 20 0 JJADRN C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001456076645 1066504128 /nfs/dbraw/zinc/50/41/28/1066504128.db2.gz IJNMOFFBVDEKLH-UGCAPWQASA-N 0 0 454.636 4.762 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)NCC3(c4cccc(C(F)(F)F)c4)CCC3)n2)cc1 ZINC001444785871 1066504085 /nfs/dbraw/zinc/50/40/85/1066504085.db2.gz LCGCBJMMOQNHDB-UHFFFAOYSA-N 0 0 459.468 4.935 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC001444790871 1066504616 /nfs/dbraw/zinc/50/46/16/1066504616.db2.gz ZGUOEKIDCODRPM-UHFFFAOYSA-N 0 0 450.560 4.516 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 ZINC001444790589 1066504635 /nfs/dbraw/zinc/50/46/35/1066504635.db2.gz ZDENGHPHFPCVQX-UHFFFAOYSA-N 0 0 453.545 4.976 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC001361182343 1066504675 /nfs/dbraw/zinc/50/46/75/1066504675.db2.gz UUESORSHJQNTGA-UHFFFAOYSA-N 0 0 458.493 4.641 20 0 JJADRN O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC001456077498 1066504696 /nfs/dbraw/zinc/50/46/96/1066504696.db2.gz NIYVIQCEQCFMAA-AWEZNQCLSA-N 0 0 455.234 4.596 20 0 JJADRN Cc1cc(CCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)ccc1Br ZINC001456078931 1066505116 /nfs/dbraw/zinc/50/51/16/1066505116.db2.gz XCEXQFBPEXDTSY-UHFFFAOYSA-N 0 0 458.425 4.644 20 0 JJADRN CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001444802442 1066505447 /nfs/dbraw/zinc/50/54/47/1066505447.db2.gz VWBQMCOWPIHHIO-XZOQPEGZSA-N 0 0 457.590 4.772 20 0 JJADRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001444799821 1066505535 /nfs/dbraw/zinc/50/55/35/1066505535.db2.gz HLPQSPOODWPJOC-JWQCQUIFSA-N 0 0 450.604 4.693 20 0 JJADRN O=C(CSc1ccc(O)cc1)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001456082524 1066506012 /nfs/dbraw/zinc/50/60/12/1066506012.db2.gz AXSLRUORFMXMAU-UHFFFAOYSA-N 0 0 453.223 4.746 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)nc1C ZINC001456084690 1066506064 /nfs/dbraw/zinc/50/60/64/1066506064.db2.gz GIBHVQRLYXIUJC-UHFFFAOYSA-N 0 0 456.543 4.634 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361183917 1066506410 /nfs/dbraw/zinc/50/64/10/1066506410.db2.gz SEPUVPMGCSZJQJ-OAQYLSRUSA-N 0 0 470.442 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361183998 1066506423 /nfs/dbraw/zinc/50/64/23/1066506423.db2.gz VQYCBQAALSTKEJ-UHFFFAOYSA-N 0 0 467.467 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCc2nc(C(F)(F)F)cs2)o1 ZINC001361184056 1066506454 /nfs/dbraw/zinc/50/64/54/1066506454.db2.gz XIPAUBUWMYULKG-CQSZACIVSA-N 0 0 455.506 4.570 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2cc(Br)cs2)o1 ZINC001361184173 1066506491 /nfs/dbraw/zinc/50/64/91/1066506491.db2.gz AUCXWKYMJUBNDO-UHFFFAOYSA-N 0 0 481.416 4.554 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cc(-c2ccccc2)[nH]n1 ZINC001456086681 1066506509 /nfs/dbraw/zinc/50/65/09/1066506509.db2.gz GSQILRQDSIRXBP-UHFFFAOYSA-N 0 0 457.193 4.952 20 0 JJADRN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456085536 1066506700 /nfs/dbraw/zinc/50/67/00/1066506700.db2.gz UCATYRRQGNPFFX-CYBMUJFWSA-N 0 0 451.748 4.796 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001444808063 1066506967 /nfs/dbraw/zinc/50/69/67/1066506967.db2.gz IWGJRZBBCYGUJG-IAGOWNOFSA-N 0 0 454.564 4.512 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)c21 ZINC001444807346 1066507119 /nfs/dbraw/zinc/50/71/19/1066507119.db2.gz JLGNNJACJLDBEA-OAHLLOKOSA-N 0 0 454.527 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2Cc2cc(C(C)(C)C)no2)cc1Br ZINC001361184454 1066507609 /nfs/dbraw/zinc/50/76/09/1066507609.db2.gz KPIMMDHQLGNEFQ-MRXNPFEDSA-N 0 0 488.430 4.823 20 0 JJADRN O=C(c1csc(I)n1)N(Cc1ccccc1F)c1ccccc1F ZINC001456090528 1066507736 /nfs/dbraw/zinc/50/77/36/1066507736.db2.gz KBQKIIQPFXDABD-UHFFFAOYSA-N 0 0 456.255 4.873 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2C[C@@](C)(O)CCC(C)C)cc1Br ZINC001361184706 1066508184 /nfs/dbraw/zinc/50/81/84/1066508184.db2.gz RFVSIIPAMADEOM-JPYJTQIMSA-N 0 0 479.463 4.676 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C1 ZINC001546079334 1066508156 /nfs/dbraw/zinc/50/81/56/1066508156.db2.gz KHANQXYHUCORCG-FNZWTVRRSA-N 0 0 483.661 4.874 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@H]3CC(Br)=NN3c3ccc(C)cc3)c2)o1 ZINC001444814085 1066508241 /nfs/dbraw/zinc/50/82/41/1066508241.db2.gz QDFVSNZIHJVDIY-QGZVFWFLSA-N 0 0 454.328 4.533 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001361184871 1066508716 /nfs/dbraw/zinc/50/87/16/1066508716.db2.gz BGGSXQVMYYJBCF-OFVILXPXSA-N 0 0 456.583 4.979 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(OCC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001444815960 1066508843 /nfs/dbraw/zinc/50/88/43/1066508843.db2.gz SNKOOTDYOCEVSP-LJQANCHMSA-N 0 0 456.505 4.689 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)C1 ZINC001444816081 1066508927 /nfs/dbraw/zinc/50/89/27/1066508927.db2.gz SBKHZLPVLMKCTC-WTNAPCKOSA-N 0 0 456.562 4.818 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3nc(-c4ccccc4)cs3)CCCC2)cc1OC ZINC001361185577 1066509214 /nfs/dbraw/zinc/50/92/14/1066509214.db2.gz HGCOFKUJQHRKNY-UHFFFAOYSA-N 0 0 451.548 4.509 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1NC(=O)c1ccccc1F ZINC001456100471 1066509361 /nfs/dbraw/zinc/50/93/61/1066509361.db2.gz OAMYVGOWVPKOOT-GOSISDBHSA-N 0 0 453.464 4.673 20 0 JJADRN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001456099649 1066509425 /nfs/dbraw/zinc/50/94/25/1066509425.db2.gz PINUUICCEAMFRY-HDMKZQKVSA-N 0 0 452.860 4.606 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC001456102196 1066509977 /nfs/dbraw/zinc/50/99/77/1066509977.db2.gz KPOACXZVVFYCAA-UHFFFAOYSA-N 0 0 452.555 4.935 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001444823477 1066509949 /nfs/dbraw/zinc/50/99/49/1066509949.db2.gz FRZNKRCVROHMSR-CJRSTVEYSA-N 0 0 456.627 4.862 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N1CC[C@H]1c1cccc(F)c1 ZINC001444828263 1066510338 /nfs/dbraw/zinc/51/03/38/1066510338.db2.gz LYGAZAJFSXADED-SFHVURJKSA-N 0 0 457.299 4.950 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N1CC[C@@H]1c1cccc(F)c1 ZINC001444827641 1066510389 /nfs/dbraw/zinc/51/03/89/1066510389.db2.gz LYGAZAJFSXADED-GOSISDBHSA-N 0 0 457.299 4.950 20 0 JJADRN COC(=O)[C@@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)C1CCCCCC1 ZINC001456105935 1066510398 /nfs/dbraw/zinc/51/03/98/1066510398.db2.gz MUABCMKBNCWNFM-IBGZPJMESA-N 0 0 452.389 4.678 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1ccc(Br)cc1-n1cncn1 ZINC001456106198 1066510515 /nfs/dbraw/zinc/51/05/15/1066510515.db2.gz QLZSVEAMOQUUDS-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC001361186936 1066510545 /nfs/dbraw/zinc/51/05/45/1066510545.db2.gz ZMUQWADJXSZXLD-MOPGFXCFSA-N 0 0 453.560 4.775 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 ZINC001444833690 1066510872 /nfs/dbraw/zinc/51/08/72/1066510872.db2.gz BHHZGKJYPKOCMU-LJQANCHMSA-N 0 0 454.533 4.590 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N1CCC(N(C)CC(F)F)CC1)c(C)n2Cc1ccccc1 ZINC001444839882 1066510880 /nfs/dbraw/zinc/51/08/80/1066510880.db2.gz RZTXNGQASNXMLG-UHFFFAOYSA-N 0 0 455.549 4.808 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(I)cc2F)cc1 ZINC001444839925 1066510950 /nfs/dbraw/zinc/51/09/50/1066510950.db2.gz OKDZFPOSDUOHBH-UHFFFAOYSA-N 0 0 457.239 4.997 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC001456107884 1066510988 /nfs/dbraw/zinc/51/09/88/1066510988.db2.gz YDOCNDMRILFAHY-SFHVURJKSA-N 0 0 456.568 4.795 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1nc(C(C)C)ncc1OCc1ccccc1)C1CCCCCC1 ZINC001456107924 1066511031 /nfs/dbraw/zinc/51/10/31/1066511031.db2.gz PCJAZHBXXZOPPL-NRFANRHFSA-N 0 0 453.583 4.668 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001444847080 1066511357 /nfs/dbraw/zinc/51/13/57/1066511357.db2.gz LAXLYRWIUYDGCY-HFSMHLIXSA-N 0 0 450.023 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2C[C@H](C)c2nccs2)cc1Br ZINC001361187322 1066511542 /nfs/dbraw/zinc/51/15/42/1066511542.db2.gz MOHJWOIHQPXSTQ-INIZCTEOSA-N 0 0 478.460 4.875 20 0 JJADRN COc1ccc(CN(C(=O)Cn2cc(C)c(C(F)(F)F)n2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001456112489 1066511531 /nfs/dbraw/zinc/51/15/31/1066511531.db2.gz RODKPKZDUTXXBH-UHFFFAOYSA-N 0 0 457.456 4.637 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001546079505 1066511584 /nfs/dbraw/zinc/51/15/84/1066511584.db2.gz NULXWRBBCSYKAX-QHCPKHFHSA-N 0 0 475.515 4.954 20 0 JJADRN COc1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456114796 1066511940 /nfs/dbraw/zinc/51/19/40/1066511940.db2.gz DVQDWVZUXVDKNF-OAQYLSRUSA-N 0 0 454.567 4.502 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 ZINC001456112860 1066512058 /nfs/dbraw/zinc/51/20/58/1066512058.db2.gz PANIGHMQUBCBIA-OAQYLSRUSA-N 0 0 452.551 4.652 20 0 JJADRN Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)CCc1nc(N(C)C)no1 ZINC001444850330 1066512168 /nfs/dbraw/zinc/51/21/68/1066512168.db2.gz BBHVTHBGZVZOOM-UHFFFAOYSA-N 0 0 450.518 4.752 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(OC)CCOC2)C1 ZINC001546079569 1066512397 /nfs/dbraw/zinc/51/23/97/1066512397.db2.gz PBEILWWECCLEBX-FGZHOGPDSA-N 0 0 469.413 4.596 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccccc2OC(C)(C)C)cc1OC ZINC001444850695 1066512679 /nfs/dbraw/zinc/51/26/79/1066512679.db2.gz ANQAFDLKJRATKI-UHFFFAOYSA-N 0 0 452.507 4.656 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001456117331 1066512905 /nfs/dbraw/zinc/51/29/05/1066512905.db2.gz ZYFROPYFXUMOQM-MRXNPFEDSA-N 0 0 459.262 4.591 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C1 ZINC001546079626 1066513048 /nfs/dbraw/zinc/51/30/48/1066513048.db2.gz QJLVENKRHZDQFR-BVFVYWQFSA-N 0 0 469.630 4.624 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(Br)c2I)[C@@H]1c1ccccc1 ZINC001444853563 1066513115 /nfs/dbraw/zinc/51/31/15/1066513115.db2.gz HSUMLBYZZPGIJH-BZNIZROVSA-N 0 0 456.121 4.887 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(Br)c2I)[C@H]1c1ccccc1 ZINC001444853560 1066513133 /nfs/dbraw/zinc/51/31/33/1066513133.db2.gz HSUMLBYZZPGIJH-BDJLRTHQSA-N 0 0 456.121 4.887 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@@H](C)[C@H]1c1ccccc1)C2 ZINC001444853585 1066513201 /nfs/dbraw/zinc/51/32/01/1066513201.db2.gz HWAFBSOBPZKGNE-CGYQNGNCSA-N 0 0 452.551 4.590 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)o1 ZINC001361187744 1066513241 /nfs/dbraw/zinc/51/32/41/1066513241.db2.gz FJONTIROKZCCMT-UHFFFAOYSA-N 0 0 470.499 4.881 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cnn(-c2ccncc2)c1 ZINC001456118086 1066513758 /nfs/dbraw/zinc/51/37/58/1066513758.db2.gz NQOHPYIEBOINFC-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CC[C@H](C)C2)cc1Br ZINC001361188153 1066513590 /nfs/dbraw/zinc/51/35/90/1066513590.db2.gz MBIHAZBZXAVNRM-FUHWJXTLSA-N 0 0 457.420 4.785 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1)c1ccccc1 ZINC001456119998 1066514073 /nfs/dbraw/zinc/51/40/73/1066514073.db2.gz XYLRRIHAUDIAOM-MRXNPFEDSA-N 0 0 456.530 4.777 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC001456122254 1066514530 /nfs/dbraw/zinc/51/45/30/1066514530.db2.gz XKIAKJPRVLIUOL-UHFFFAOYSA-N 0 0 458.274 4.703 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)[C@H](C)C2)cc1C ZINC001361189417 1066514601 /nfs/dbraw/zinc/51/46/01/1066514601.db2.gz DLDQGGNRAMMNEC-ZJSXRUAMSA-N 0 0 451.611 4.649 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001546079725 1066514690 /nfs/dbraw/zinc/51/46/90/1066514690.db2.gz SDIUUXOJKOCACF-VWLOTQADSA-N 0 0 453.562 4.853 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C1 ZINC001546079672 1066514746 /nfs/dbraw/zinc/51/47/46/1066514746.db2.gz RGFJWUYIERDKCR-HSZRJFAPSA-N 0 0 474.030 4.760 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)Nc2ncc(C(C)(C)C)s2)cc1OC ZINC001444871050 1066515404 /nfs/dbraw/zinc/51/54/04/1066515404.db2.gz NQVPEKCSBZXGCN-UHFFFAOYSA-N 0 0 459.593 4.953 20 0 JJADRN C[C@H](CNC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)Oc1ccccc1Cl ZINC001444874740 1066515477 /nfs/dbraw/zinc/51/54/77/1066515477.db2.gz RHUFNIGAXOLCFK-CQSZACIVSA-N 0 0 450.992 4.542 20 0 JJADRN COc1ccccc1C(=O)NCC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001444877500 1066515489 /nfs/dbraw/zinc/51/54/89/1066515489.db2.gz BUDCEBWNFBYIHG-UHFFFAOYSA-N 0 0 458.436 4.553 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001456125333 1066515675 /nfs/dbraw/zinc/51/56/75/1066515675.db2.gz DPOPTRVSQPSXNY-DOTOQJQBSA-N 0 0 453.421 4.845 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001456127098 1066515688 /nfs/dbraw/zinc/51/56/88/1066515688.db2.gz UJQJPNVEQLNIRT-PAVFIEEWSA-N 0 0 459.377 4.520 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc(Br)cc2cccnc21 ZINC001456125356 1066515705 /nfs/dbraw/zinc/51/57/05/1066515705.db2.gz UCOOYFWDTRDSPB-UHFFFAOYSA-N 0 0 458.209 4.924 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2cc(F)ccc2F)CC1 ZINC001361190378 1066515693 /nfs/dbraw/zinc/51/56/93/1066515693.db2.gz XVAUPDVCRJEFQW-DNRQZRRGSA-N 0 0 456.577 4.813 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001546079785 1066515780 /nfs/dbraw/zinc/51/57/80/1066515780.db2.gz TUIQOZHJPNDDDQ-SANMLTNESA-N 0 0 485.698 4.997 20 0 JJADRN CCCCCc1cc(C(=O)N[C@@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)[nH]n1 ZINC001456126954 1066515825 /nfs/dbraw/zinc/51/58/25/1066515825.db2.gz ONHWWPOKGCHQPT-QGZVFWFLSA-N 0 0 456.768 4.593 20 0 JJADRN COc1cc(OC)cc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456128066 1066516229 /nfs/dbraw/zinc/51/62/29/1066516229.db2.gz XMYRZDOVMBLDCO-NRFANRHFSA-N 0 0 454.567 4.746 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)o1 ZINC001361191162 1066517318 /nfs/dbraw/zinc/51/73/18/1066517318.db2.gz IGMLJVAKWOHJGU-UHFFFAOYSA-N 0 0 485.654 4.550 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(CO)c2)c2ccccc2Cl)c(OC)c1 ZINC001444900770 1066517556 /nfs/dbraw/zinc/51/75/56/1066517556.db2.gz OCVNCOUWXBHGFL-VOIUYBSRSA-N 0 0 455.938 4.523 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCc2ccccn2)cc1Br ZINC001361191342 1066517612 /nfs/dbraw/zinc/51/76/12/1066517612.db2.gz PQPQKLLBIXKWQK-UHFFFAOYSA-N 0 0 456.388 4.964 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361191338 1066517654 /nfs/dbraw/zinc/51/76/54/1066517654.db2.gz PLNYQBXQTBJMOC-GOSISDBHSA-N 0 0 459.591 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(CCC(C)C)C3CC3)n2CCCC(=O)N(C)C)cc1Br ZINC001361191280 1066517668 /nfs/dbraw/zinc/51/76/68/1066517668.db2.gz NBEMCARLOFTNDR-UHFFFAOYSA-N 0 0 476.463 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CC2CCS(=O)(=O)CC2)cc1Br ZINC001361191366 1066517755 /nfs/dbraw/zinc/51/77/55/1066517755.db2.gz QQKKHWJKNPBCPD-UHFFFAOYSA-N 0 0 497.503 4.712 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1OCC ZINC001456131896 1066517800 /nfs/dbraw/zinc/51/78/00/1066517800.db2.gz XFOKQQYZEJKYSM-FQEVSTJZSA-N 0 0 451.563 4.937 20 0 JJADRN Cc1cc([C@H](NC(=O)CCSc2ncnc3[nH]cnc32)c2ccccc2Cl)ccc1F ZINC001444914306 1066517798 /nfs/dbraw/zinc/51/77/98/1066517798.db2.gz GWUJPXOASHIUHH-IBGZPJMESA-N 0 0 455.946 4.842 20 0 JJADRN Cc1nn(CC(=O)N2CCC[C@@H](C3CCOCC3)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001456135670 1066518088 /nfs/dbraw/zinc/51/80/88/1066518088.db2.gz DGDGIWICDHERHN-QGZVFWFLSA-N 0 0 452.521 4.547 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC001456134623 1066518138 /nfs/dbraw/zinc/51/81/38/1066518138.db2.gz BAJHZVMJCATDFK-MRXNPFEDSA-N 0 0 456.392 4.833 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC001456134983 1066518297 /nfs/dbraw/zinc/51/82/97/1066518297.db2.gz CEMSQHNLHIQIEC-HKUYNNGSSA-N 0 0 450.551 4.749 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC001361192113 1066519377 /nfs/dbraw/zinc/51/93/77/1066519377.db2.gz HLTKQWOYMAESHA-HNNXBMFYSA-N 0 0 450.892 4.614 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1)Oc1ccccc1C ZINC001444934177 1066519559 /nfs/dbraw/zinc/51/95/59/1066519559.db2.gz SOYDSSLNBPBSRA-HXUWFJFHSA-N 0 0 450.510 4.982 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001361191767 1066519480 /nfs/dbraw/zinc/51/94/80/1066519480.db2.gz CUWBLTGSGNQXQX-KRWDZBQOSA-N 0 0 458.990 4.530 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001361192273 1066519581 /nfs/dbraw/zinc/51/95/81/1066519581.db2.gz IUXOKSHIOVBJRA-GDBMZVCRSA-N 0 0 456.940 4.725 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)Oc1ccccc1Br)NC(=O)OC(C)(C)C ZINC001444935941 1066519911 /nfs/dbraw/zinc/51/99/11/1066519911.db2.gz OKPGFDPYVOPDJN-NVXWUHKLSA-N 0 0 457.409 4.614 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)Cc1cccc(OCc2cccnc2)c1)NC(=O)OC(C)(C)C ZINC001444938277 1066519918 /nfs/dbraw/zinc/51/99/18/1066519918.db2.gz VMXOPMVUIKBOII-HSZRJFAPSA-N 0 0 455.599 4.601 20 0 JJADRN COCc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001361193784 1066519930 /nfs/dbraw/zinc/51/99/30/1066519930.db2.gz XLFBALJNRWRSPI-PBHICJAKSA-N 0 0 450.576 4.952 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C)c(NC(C)=O)c2)cc1OC ZINC001444940084 1066520001 /nfs/dbraw/zinc/52/00/01/1066520001.db2.gz RGLCUQNOIUTYKO-UHFFFAOYSA-N 0 0 452.576 4.917 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)c1cnc(NC(=O)OC(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC001444937894 1066520029 /nfs/dbraw/zinc/52/00/29/1066520029.db2.gz SWFUTBUXUBHDCV-CQSZACIVSA-N 0 0 456.609 4.502 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCC[C@@H](C)[C@H]3CNC(=O)OC(C)(C)C)nc2)c1 ZINC001361193661 1066519977 /nfs/dbraw/zinc/51/99/77/1066519977.db2.gz VVUAXXJOMHDUAK-VGOFRKELSA-N 0 0 455.555 4.648 20 0 JJADRN COc1ccsc1C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456141094 1066520268 /nfs/dbraw/zinc/52/02/68/1066520268.db2.gz CJVJOCSVUQZJGH-IRXDYDNUSA-N 0 0 458.580 4.527 20 0 JJADRN COCc1c(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001361193790 1066520646 /nfs/dbraw/zinc/52/06/46/1066520646.db2.gz XLFBALJNRWRSPI-RHSMWYFYSA-N 0 0 450.576 4.952 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC001456144804 1066520761 /nfs/dbraw/zinc/52/07/61/1066520761.db2.gz JJIFCBGLOLBRKJ-UHFFFAOYSA-N 0 0 458.352 4.871 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC001456143150 1066520808 /nfs/dbraw/zinc/52/08/08/1066520808.db2.gz HORKWYLSVSCASP-UHFFFAOYSA-N 0 0 453.930 4.550 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001444946329 1066520907 /nfs/dbraw/zinc/52/09/07/1066520907.db2.gz NDHFUXDNAJPOIK-FQEVSTJZSA-N 0 0 452.555 4.720 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2CC2(C)CCC2)o1 ZINC001361194509 1066521108 /nfs/dbraw/zinc/52/11/08/1066521108.db2.gz PIJMJLYCJGOAPD-UHFFFAOYSA-N 0 0 465.417 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCOc2ncccc2F)cc1Br ZINC001361194720 1066521176 /nfs/dbraw/zinc/52/11/76/1066521176.db2.gz VEHGYKPTHPAFHC-HZPDHXFCSA-N 0 0 474.378 4.721 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCCC2)cc1C ZINC001444946287 1066521118 /nfs/dbraw/zinc/52/11/18/1066521118.db2.gz AUIXQPUXEOHQBC-UHFFFAOYSA-N 0 0 457.615 4.566 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001456144839 1066521179 /nfs/dbraw/zinc/52/11/79/1066521179.db2.gz MFNLSNWSZDJZQK-UXHICEINSA-N 0 0 454.571 4.526 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC001456146015 1066521269 /nfs/dbraw/zinc/52/12/69/1066521269.db2.gz CXIINTIWOCFLNP-SFHVURJKSA-N 0 0 459.787 4.885 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001444947751 1066521473 /nfs/dbraw/zinc/52/14/73/1066521473.db2.gz DOWOEGGAJQMRQR-RTBURBONSA-N 0 0 454.567 4.898 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC001361195195 1066521517 /nfs/dbraw/zinc/52/15/17/1066521517.db2.gz LMMBIERGOBALDU-OKILXGFUSA-N 0 0 458.477 4.763 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456147755 1066521987 /nfs/dbraw/zinc/52/19/87/1066521987.db2.gz TXPGKOCRDJDUHF-WOJBJXKFSA-N 0 0 458.599 4.538 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456147752 1066522025 /nfs/dbraw/zinc/52/20/25/1066522025.db2.gz TXPGKOCRDJDUHF-VQTJNVASSA-N 0 0 458.599 4.538 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2sc3ncccc3c2Cl)c1 ZINC001456148052 1066522128 /nfs/dbraw/zinc/52/21/28/1066522128.db2.gz WRJGEERBEJBXLC-UHFFFAOYSA-N 0 0 450.951 4.694 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444951038 1066522032 /nfs/dbraw/zinc/52/20/32/1066522032.db2.gz ZHACZYZRIUCXCO-UHFFFAOYSA-N 0 0 458.967 4.860 20 0 JJADRN CC(C)Cn1cc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cn1 ZINC001444953083 1066522078 /nfs/dbraw/zinc/52/20/78/1066522078.db2.gz URPVFDVZSFVQBJ-UHFFFAOYSA-N 0 0 455.356 4.735 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444956462 1066522519 /nfs/dbraw/zinc/52/25/19/1066522519.db2.gz PPKVPGARHAKCQG-UGXKVIGPSA-N 0 0 455.640 4.610 20 0 JJADRN CCCN(C(=O)CCc1cc(F)ccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456148920 1066522439 /nfs/dbraw/zinc/52/24/39/1066522439.db2.gz ZLAYFZPOWYOYDE-QGZVFWFLSA-N 0 0 457.384 4.769 20 0 JJADRN C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001456149128 1066522637 /nfs/dbraw/zinc/52/26/37/1066522637.db2.gz KRKLAYZXQRCJKO-OFNKIYASSA-N 0 0 450.583 4.564 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 ZINC001456150051 1066522841 /nfs/dbraw/zinc/52/28/41/1066522841.db2.gz OBUDOSWYQLTQAM-QHCPKHFHSA-N 0 0 457.615 4.701 20 0 JJADRN CC1(C)CCCN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CC1 ZINC001444958760 1066523000 /nfs/dbraw/zinc/52/30/00/1066523000.db2.gz OZKLUYHBDOHTTH-UHFFFAOYSA-N 0 0 450.421 4.600 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]4CCCC[C@@H]43)n2CCNC(=O)C(C)C)cc1Br ZINC001361195838 1066522856 /nfs/dbraw/zinc/52/28/56/1066522856.db2.gz FXFUAYHPBQEHKM-DSKINZAPSA-N 0 0 488.474 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361196198 1066523458 /nfs/dbraw/zinc/52/34/58/1066523458.db2.gz LQDAUZVJDVSUTG-OKILXGFUSA-N 0 0 467.426 4.991 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCOC(C)C)cc1Br ZINC001361196102 1066523588 /nfs/dbraw/zinc/52/35/88/1066523588.db2.gz KGYCJWASPOIGJL-KRWDZBQOSA-N 0 0 465.436 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361196225 1066523637 /nfs/dbraw/zinc/52/36/37/1066523637.db2.gz MAIKCVXZJQUNDM-OFQRWUPVSA-N 0 0 487.414 4.770 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cnn2cccc(Br)c12 ZINC001456150339 1066523587 /nfs/dbraw/zinc/52/35/87/1066523587.db2.gz IZEICAAWICDDME-UHFFFAOYSA-N 0 0 455.337 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CCSc2ccccc2)o1 ZINC001361196366 1066523872 /nfs/dbraw/zinc/52/38/72/1066523872.db2.gz OZJQZEYSKNLPDB-PXNSSMCTSA-N 0 0 483.638 4.988 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC001545970963 1066523945 /nfs/dbraw/zinc/52/39/45/1066523945.db2.gz POHUUBXPHMFTFT-YADHBBJMSA-N 0 0 474.653 4.911 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)cs2)cc1 ZINC001456152758 1066524039 /nfs/dbraw/zinc/52/40/39/1066524039.db2.gz ZRNYNWAZPJEJLP-HSZRJFAPSA-N 0 0 455.624 4.852 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCSc2ccccc2)o1 ZINC001361196365 1066523899 /nfs/dbraw/zinc/52/38/99/1066523899.db2.gz OZJQZEYSKNLPDB-FXAWDEMLSA-N 0 0 483.638 4.988 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361196254 1066523929 /nfs/dbraw/zinc/52/39/29/1066523929.db2.gz MXAWSIAAGDVDNY-KUHUBIRLSA-N 0 0 473.524 4.522 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)c1 ZINC001456152165 1066524101 /nfs/dbraw/zinc/52/41/01/1066524101.db2.gz OLYRYESBKXFJOF-UHFFFAOYSA-N 0 0 456.539 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361196457 1066524390 /nfs/dbraw/zinc/52/43/90/1066524390.db2.gz QDIFYVIFERHOIP-JXFKEZNVSA-N 0 0 469.561 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCCOC(F)F)cc1Br ZINC001361196741 1066524401 /nfs/dbraw/zinc/52/44/01/1066524401.db2.gz TUFYDNKGGJSIKW-QGZVFWFLSA-N 0 0 499.400 4.777 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001361196476 1066524449 /nfs/dbraw/zinc/52/44/49/1066524449.db2.gz QNCOZCWDUDMUGP-MRXNPFEDSA-N 0 0 487.446 4.684 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361196579 1066524475 /nfs/dbraw/zinc/52/44/75/1066524475.db2.gz SEZPPNLNJIZHQW-INIZCTEOSA-N 0 0 488.474 4.934 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001361196475 1066524514 /nfs/dbraw/zinc/52/45/14/1066524514.db2.gz QNCOZCWDUDMUGP-INIZCTEOSA-N 0 0 487.446 4.684 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361196460 1066524553 /nfs/dbraw/zinc/52/45/53/1066524553.db2.gz QDIFYVIFERHOIP-UZLBHIALSA-N 0 0 469.561 4.692 20 0 JJADRN O=C(NCc1ccccc1Oc1cccc(F)c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001456155820 1066524871 /nfs/dbraw/zinc/52/48/71/1066524871.db2.gz KKJAXIDDSYUGFK-IBGZPJMESA-N 0 0 452.913 4.936 20 0 JJADRN C[C@H](c1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1)N1CCOCC1 ZINC001456156339 1066524911 /nfs/dbraw/zinc/52/49/11/1066524911.db2.gz HANXYFHZBQDQOA-OAHLLOKOSA-N 0 0 456.340 4.750 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444974723 1066525102 /nfs/dbraw/zinc/52/51/02/1066525102.db2.gz PHCNTDOYIDDOFB-DVECYGJZSA-N 0 0 458.599 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361197048 1066525343 /nfs/dbraw/zinc/52/53/43/1066525343.db2.gz XHMALXBGKAMORY-HZPDHXFCSA-N 0 0 474.447 4.544 20 0 JJADRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001444979427 1066525473 /nfs/dbraw/zinc/52/54/73/1066525473.db2.gz ZHGFQCNWOKFOSY-XMMPIXPASA-N 0 0 459.571 4.616 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444974753 1066525509 /nfs/dbraw/zinc/52/55/09/1066525509.db2.gz PHCNTDOYIDDOFB-YADARESESA-N 0 0 458.599 4.543 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545971144 1066525584 /nfs/dbraw/zinc/52/55/84/1066525584.db2.gz SHVAYTUNTWNKTO-VQTJNVASSA-N 0 0 487.645 4.508 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001444982307 1066526060 /nfs/dbraw/zinc/52/60/60/1066526060.db2.gz LTRUYWUYBGFXIZ-UHFFFAOYSA-N 0 0 453.329 4.701 20 0 JJADRN CC(C)[C@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CCS1 ZINC001444983097 1066526115 /nfs/dbraw/zinc/52/61/15/1066526115.db2.gz CBTGLFADIQWODY-IAGOWNOFSA-N 0 0 457.434 4.615 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C)Oc2ccccc2F)o1 ZINC001361198135 1066526405 /nfs/dbraw/zinc/52/64/05/1066526405.db2.gz JQTMTOMOAHNMPR-LJQANCHMSA-N 0 0 483.588 4.536 20 0 JJADRN C[C@H](CC(=O)N[C@H](CO)c1ccccc1C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456162927 1066526567 /nfs/dbraw/zinc/52/65/67/1066526567.db2.gz CLRINLQMVSXVJB-GPMSIDNRSA-N 0 0 458.521 4.528 20 0 JJADRN COC(=O)C1CCC(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1 ZINC001456164691 1066526687 /nfs/dbraw/zinc/52/66/87/1066526687.db2.gz SLPTWCZCEKLOSZ-UHFFFAOYSA-N 0 0 454.596 4.819 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1cccnc1SCc1ccc(F)cc1 ZINC001456164029 1066526747 /nfs/dbraw/zinc/52/67/47/1066526747.db2.gz FQMHESCQSIZWHA-IBGZPJMESA-N 0 0 450.457 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCCOc2ccccc2C)o1 ZINC001361198212 1066526844 /nfs/dbraw/zinc/52/68/44/1066526844.db2.gz LMLLWCLSFLALHL-UHFFFAOYSA-N 0 0 476.499 4.972 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001444989323 1066526917 /nfs/dbraw/zinc/52/69/17/1066526917.db2.gz VWVANOGAOISOKH-LBPRGKRZSA-N 0 0 451.741 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[C@](C)(O)c2ccccc2)o1 ZINC001361198355 1066527352 /nfs/dbraw/zinc/52/73/52/1066527352.db2.gz PFOZNKTXARJERC-PIKZIKFNSA-N 0 0 493.652 4.521 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[C@@](C)(O)c2ccccc2)o1 ZINC001361198356 1066527366 /nfs/dbraw/zinc/52/73/66/1066527366.db2.gz PFOZNKTXARJERC-RBTNQOKQSA-N 0 0 493.652 4.521 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)Sc1ccccc1 ZINC001444993551 1066527497 /nfs/dbraw/zinc/52/74/97/1066527497.db2.gz DYAGMHUOCIRUFZ-MFMILTCTSA-N 0 0 450.526 4.912 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001456170285 1066527608 /nfs/dbraw/zinc/52/76/08/1066527608.db2.gz MXRJCTOVPHQSBM-WIYYLYMNSA-N 0 0 450.595 4.710 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCOc2ccc(Cl)cc2)c2ccc(Cl)cc2)CCO1 ZINC001456171376 1066527833 /nfs/dbraw/zinc/52/78/33/1066527833.db2.gz HAMLLHXSYMSYAC-OAQYLSRUSA-N 0 0 451.394 4.731 20 0 JJADRN CC(C)(C(=O)N[C@H](CO)c1ccccc1C(F)(F)F)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456171015 1066528084 /nfs/dbraw/zinc/52/80/84/1066528084.db2.gz YJKFCGGOHDVUCA-IAGOWNOFSA-N 0 0 450.284 4.922 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2cc(-c3ccc(F)cc3)no2)c2ccc(Cl)cc2)CCO1 ZINC001456171194 1066528119 /nfs/dbraw/zinc/52/81/19/1066528119.db2.gz FCTHGAVLAHQGBC-NRFANRHFSA-N 0 0 457.933 4.716 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@H]2CCCOC2)o1 ZINC001361199207 1066528110 /nfs/dbraw/zinc/52/81/10/1066528110.db2.gz ANQPGLPMEJTSQN-CYBMUJFWSA-N 0 0 452.399 4.594 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2NC1=O ZINC001444993912 1066528098 /nfs/dbraw/zinc/52/80/98/1066528098.db2.gz YPJYWLBGSPBKQA-MBSDFSHPSA-N 0 0 459.546 4.878 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)COc2cccc3ccccc32)c2ccc(Cl)cc2)CCO1 ZINC001456173701 1066528401 /nfs/dbraw/zinc/52/84/01/1066528401.db2.gz MVKZTYFRHHJJAH-HSZRJFAPSA-N 0 0 452.982 4.840 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2cccc(-c3cccc(Br)c3)c2)cc1 ZINC001456172714 1066528414 /nfs/dbraw/zinc/52/84/14/1066528414.db2.gz JZPQBXLRDIPZGZ-UHFFFAOYSA-N 0 0 453.336 4.883 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC(Cc2c(F)cccc2F)C1 ZINC001444997062 1066528422 /nfs/dbraw/zinc/52/84/22/1066528422.db2.gz FVAOIFXISLIPNY-UHFFFAOYSA-N 0 0 451.242 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1(C)C ZINC001444997606 1066528542 /nfs/dbraw/zinc/52/85/42/1066528542.db2.gz KLLPXDAQIPISCO-CABCVRRESA-N 0 0 450.992 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2CCN(C)CC(F)(F)F)cc1Br ZINC001361199599 1066528639 /nfs/dbraw/zinc/52/86/39/1066528639.db2.gz GXAPRPSNUJCXAA-QGZVFWFLSA-N 0 0 488.396 4.992 20 0 JJADRN CN(CC(=O)NCCC1=CCCCC1)C(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001456174564 1066529080 /nfs/dbraw/zinc/52/90/80/1066529080.db2.gz XNEFJICUADTWMY-UHFFFAOYSA-N 0 0 452.986 4.753 20 0 JJADRN CC(C)c1nc2ccccn2c1NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001456176187 1066529553 /nfs/dbraw/zinc/52/95/53/1066529553.db2.gz GANVMTJMTCNLFF-UHFFFAOYSA-N 0 0 450.539 4.840 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ccc(Cc3nnc[nH]3)cc2)c2cc(F)ccc2F)c1 ZINC001445007122 1066529667 /nfs/dbraw/zinc/52/96/67/1066529667.db2.gz UIOSITXTRFBTBO-HSZRJFAPSA-N 0 0 450.514 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361200136 1066529657 /nfs/dbraw/zinc/52/96/57/1066529657.db2.gz OGTMCDRKLJGACX-CTNGQTDRSA-N 0 0 494.640 4.700 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC001445009158 1066529697 /nfs/dbraw/zinc/52/96/97/1066529697.db2.gz LSJSXENHEMWWAR-JOCHJYFZSA-N 0 0 451.405 4.741 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1[S@](=O)C(F)(F)F ZINC001456177649 1066529824 /nfs/dbraw/zinc/52/98/24/1066529824.db2.gz JHJCDRKZUCNBMF-PMERELPUSA-N 0 0 458.889 4.846 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CCCn2ccnc2C)o1 ZINC001361200190 1066529889 /nfs/dbraw/zinc/52/98/89/1066529889.db2.gz PFEWNGFZZBCCHY-LJQANCHMSA-N 0 0 497.644 4.571 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC001445025497 1066530610 /nfs/dbraw/zinc/53/06/10/1066530610.db2.gz HKRYMBGIALUMLG-LJQANCHMSA-N 0 0 452.601 4.742 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361200520 1066530868 /nfs/dbraw/zinc/53/08/68/1066530868.db2.gz YWSGYTCVVJHIDL-MRXNPFEDSA-N 0 0 467.561 4.879 20 0 JJADRN COc1c(N)c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc(Cl)c1Br ZINC001445034667 1066530906 /nfs/dbraw/zinc/53/09/06/1066530906.db2.gz QSXUZOOVWACGOE-GFCCVEGCSA-N 0 0 455.805 4.948 20 0 JJADRN CC(C)C[C@@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)N(C)C(=O)OC(C)(C)C ZINC001445031910 1066530994 /nfs/dbraw/zinc/53/09/94/1066530994.db2.gz OQWYODCZQMCNQU-QAPCUYQASA-N 0 0 457.409 4.614 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC(=O)NC(C)C)cc1Br ZINC001361200530 1066530936 /nfs/dbraw/zinc/53/09/36/1066530936.db2.gz ZIGRRLPFVBWHOI-SFHVURJKSA-N 0 0 476.463 4.803 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC001456180132 1066530978 /nfs/dbraw/zinc/53/09/78/1066530978.db2.gz XCQVFGFCMZNZQB-JLHYYAGUSA-N 0 0 450.347 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361201511 1066531408 /nfs/dbraw/zinc/53/14/08/1066531408.db2.gz CIWWNXPCFPVRJX-INIZCTEOSA-N 0 0 457.420 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCC2CCOCC2)o1 ZINC001361201579 1066531414 /nfs/dbraw/zinc/53/14/14/1066531414.db2.gz DWIKNMOECDQHMZ-UHFFFAOYSA-N 0 0 473.618 4.547 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC001445040483 1066531884 /nfs/dbraw/zinc/53/18/84/1066531884.db2.gz WYXGIXZNUPFBDI-UHFFFAOYSA-N 0 0 451.592 4.554 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(F)cc1 ZINC001456188370 1066532888 /nfs/dbraw/zinc/53/28/88/1066532888.db2.gz XSVHVKSBZATCBF-FQEVSTJZSA-N 0 0 458.574 4.927 20 0 JJADRN CC1(CNC(=O)COc2c(I)cc(Cl)c3cccnc32)CCCC1 ZINC001456187841 1066532909 /nfs/dbraw/zinc/53/29/09/1066532909.db2.gz RGQRITROPWHUAK-UHFFFAOYSA-N 0 0 458.727 4.568 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C(C)C)cc1 ZINC001445047619 1066533063 /nfs/dbraw/zinc/53/30/63/1066533063.db2.gz IOUXDDOIEVCAFD-UHFFFAOYSA-N 0 0 452.576 4.785 20 0 JJADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445049719 1066533292 /nfs/dbraw/zinc/53/32/92/1066533292.db2.gz CEXMRWMHWLZVJU-KBXCAEBGSA-N 0 0 459.450 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361203159 1066533377 /nfs/dbraw/zinc/53/33/77/1066533377.db2.gz XZTSBZMHHNNEMK-CMKODMSKSA-N 0 0 457.619 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)NCCc1ccc(Br)cc1F ZINC001456191149 1066533435 /nfs/dbraw/zinc/53/34/35/1066533435.db2.gz GCZAVUBJLNDRHJ-KRWDZBQOSA-N 0 0 457.384 4.673 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456192026 1066533779 /nfs/dbraw/zinc/53/37/79/1066533779.db2.gz HLLJLALYGPLIRD-RCAXOHPUSA-N 0 0 454.014 4.760 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCOCC(C)C)o1 ZINC001361203960 1066534084 /nfs/dbraw/zinc/53/40/84/1066534084.db2.gz HJPMZECGWATUQR-HXUWFJFHSA-N 0 0 475.634 4.602 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001445052940 1066534244 /nfs/dbraw/zinc/53/42/44/1066534244.db2.gz GBGFBHZOWIWDGR-WHCXKFMVSA-N 0 0 450.579 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)o1 ZINC001361204076 1066534129 /nfs/dbraw/zinc/53/41/29/1066534129.db2.gz KZGBACVKCPYGMC-GOSISDBHSA-N 0 0 486.642 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCC[C@H]2C)cc1Br ZINC001361203972 1066534143 /nfs/dbraw/zinc/53/41/43/1066534143.db2.gz HQQJMUIWJJDHOV-OXQOHEQNSA-N 0 0 488.474 4.934 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)C/C=C\c2ccc(Br)cc2)n1 ZINC001456195414 1066534162 /nfs/dbraw/zinc/53/41/62/1066534162.db2.gz KLFWPYOENOFWKG-WAYWQWQTSA-N 0 0 454.324 4.854 20 0 JJADRN CC(C)C[C@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001445054672 1066534377 /nfs/dbraw/zinc/53/43/77/1066534377.db2.gz OBQFHHAARPGCPZ-QGZVFWFLSA-N 0 0 459.384 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@@H](C)O)cc2)o1 ZINC001361204122 1066534688 /nfs/dbraw/zinc/53/46/88/1066534688.db2.gz MZESPVYYORDDJA-CTNGQTDRSA-N 0 0 495.624 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)C1 ZINC001456196354 1066534716 /nfs/dbraw/zinc/53/47/16/1066534716.db2.gz BXUJGENEJRUWAA-UHFFFAOYSA-N 0 0 452.551 4.721 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1 ZINC001445055235 1066534852 /nfs/dbraw/zinc/53/48/52/1066534852.db2.gz QCWTURFBSRLNAV-LAUBAEHRSA-N 0 0 452.576 4.684 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)cc1 ZINC001456196389 1066534838 /nfs/dbraw/zinc/53/48/38/1066534838.db2.gz NPKXNHDLLWERFV-UHFFFAOYSA-N 0 0 458.511 4.851 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)o1 ZINC001361204439 1066535146 /nfs/dbraw/zinc/53/51/46/1066535146.db2.gz WSVWFTDYGULFQH-URVUXULASA-N 0 0 487.645 4.601 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccc(NC(N)=O)cc2)o1 ZINC001361204392 1066535156 /nfs/dbraw/zinc/53/51/56/1066535156.db2.gz VIYRCGXNNGDMEX-UHFFFAOYSA-N 0 0 462.476 4.554 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCc1ccc(Br)cc1F ZINC001456197892 1066535154 /nfs/dbraw/zinc/53/51/54/1066535154.db2.gz UDVMUYBKPWSUNX-VQIMIIECSA-N 0 0 455.165 4.987 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1ccc(Br)cc1F ZINC001456197891 1066535195 /nfs/dbraw/zinc/53/51/95/1066535195.db2.gz UDVMUYBKPWSUNX-QFBILLFUSA-N 0 0 455.165 4.987 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC001445059537 1066535174 /nfs/dbraw/zinc/53/51/74/1066535174.db2.gz YZONNGOPPKKZDM-UHFFFAOYSA-N 0 0 450.579 4.993 20 0 JJADRN O=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445058295 1066535338 /nfs/dbraw/zinc/53/53/38/1066535338.db2.gz TVMVQQQOSLKENU-UHFFFAOYSA-N 0 0 450.347 4.761 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001445058691 1066535379 /nfs/dbraw/zinc/53/53/79/1066535379.db2.gz PXBGWHNETYFHAQ-SANMLTNESA-N 0 0 457.574 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCc2ccccc2C(F)(F)F)o1 ZINC001361204472 1066535582 /nfs/dbraw/zinc/53/55/82/1066535582.db2.gz XMPNPSVWTZLFNH-UHFFFAOYSA-N 0 0 489.542 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CC[C@H](C)C2)cc1Br ZINC001361204529 1066535667 /nfs/dbraw/zinc/53/56/67/1066535667.db2.gz ZEFFHRZBUIRLMI-QFBILLFUSA-N 0 0 488.474 4.934 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CCS1 ZINC001445063965 1066535908 /nfs/dbraw/zinc/53/59/08/1066535908.db2.gz XFFVFXYBNVURSN-SNVBAGLBSA-N 0 0 454.852 4.845 20 0 JJADRN O=C(c1ccc(Br)cc1C(F)(F)F)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001361204852 1066535944 /nfs/dbraw/zinc/53/59/44/1066535944.db2.gz LXQCIFXUEGGDAA-OAHLLOKOSA-N 0 0 450.295 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](COc4ccccc4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361204984 1066536057 /nfs/dbraw/zinc/53/60/57/1066536057.db2.gz AQGUCBBOKDDDLK-UYAOXDASSA-N 0 0 481.597 4.665 20 0 JJADRN Cc1nc2sccn2c1CN(C)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445077844 1066536248 /nfs/dbraw/zinc/53/62/48/1066536248.db2.gz XGXAFBAFIMGREB-IBGZPJMESA-N 0 0 456.612 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2Cc2sccc2C)o1 ZINC001361205521 1066536797 /nfs/dbraw/zinc/53/67/97/1066536797.db2.gz KSTRLSHPEFQXIJ-QGZVFWFLSA-N 0 0 457.600 4.616 20 0 JJADRN C[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)Nc1ccccc1 ZINC001456201095 1066536870 /nfs/dbraw/zinc/53/68/70/1066536870.db2.gz MLIGQHYHRLKZSP-IIBYNOLFSA-N 0 0 453.336 4.713 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c(OC(C)C)c1 ZINC001445081071 1066536781 /nfs/dbraw/zinc/53/67/81/1066536781.db2.gz KBFWJMVJTJGDGB-UHFFFAOYSA-N 0 0 452.595 4.740 20 0 JJADRN C[C@H](C(=O)N1CC(OCCCc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445079346 1066536895 /nfs/dbraw/zinc/53/68/95/1066536895.db2.gz MIJDFQTVSYSWBK-RDPSFJRHSA-N 0 0 452.595 4.749 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCc2nccs2)cc1Br ZINC001361205538 1066537035 /nfs/dbraw/zinc/53/70/35/1066537035.db2.gz LDXMEUCIRUXFFA-UHFFFAOYSA-N 0 0 454.344 4.561 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cnc(-c2cccnc2)s1 ZINC001456202145 1066536943 /nfs/dbraw/zinc/53/69/43/1066536943.db2.gz IUUPFUGIKVDFCE-UHFFFAOYSA-N 0 0 450.564 4.823 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001445082726 1066537475 /nfs/dbraw/zinc/53/74/75/1066537475.db2.gz QAVCGZZQMQEENN-UHFFFAOYSA-N 0 0 455.342 4.609 20 0 JJADRN CS[C@H]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001445081479 1066537604 /nfs/dbraw/zinc/53/76/04/1066537604.db2.gz NJUWUVNERAJBEN-HOTGVXAUSA-N 0 0 456.992 4.602 20 0 JJADRN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC001456205114 1066537676 /nfs/dbraw/zinc/53/76/76/1066537676.db2.gz QGRHNQRQOZWBMQ-IBGZPJMESA-N 0 0 452.551 4.565 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001456209035 1066538010 /nfs/dbraw/zinc/53/80/10/1066538010.db2.gz FYIYOSIHNYTDCI-MEDUHNTESA-N 0 0 458.436 4.793 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC001456210910 1066538132 /nfs/dbraw/zinc/53/81/32/1066538132.db2.gz DGLOVMFLNHIJIY-UHFFFAOYSA-N 0 0 452.667 4.841 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001456212760 1066538556 /nfs/dbraw/zinc/53/85/56/1066538556.db2.gz MXLKNVLTYADDFJ-CQSZACIVSA-N 0 0 450.322 4.791 20 0 JJADRN C[C@@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445087665 1066538706 /nfs/dbraw/zinc/53/87/06/1066538706.db2.gz FZNFZJOOTZKCCB-MQMKENTISA-N 0 0 454.439 4.993 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1cc(F)c(F)cc1Br ZINC001456215483 1066539111 /nfs/dbraw/zinc/53/91/11/1066539111.db2.gz QWHDOLYKTYFOFV-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC001361207107 1066539159 /nfs/dbraw/zinc/53/91/59/1066539159.db2.gz JFQHFWSCUDCXQT-WBVHZDCISA-N 0 0 469.374 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCOc2c(C)cccc2C)o1 ZINC001361207062 1066539223 /nfs/dbraw/zinc/53/92/23/1066539223.db2.gz HMXYPQTUXNQIIR-FQEVSTJZSA-N 0 0 481.597 4.646 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)ccn2)c1C ZINC001445098062 1066539634 /nfs/dbraw/zinc/53/96/34/1066539634.db2.gz COPOOYQQFZLXDC-IBVKSMDESA-N 0 0 451.567 4.897 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2OC(F)F)o1 ZINC001361207175 1066539772 /nfs/dbraw/zinc/53/97/72/1066539772.db2.gz LVXVDJNPSLONMP-KRWDZBQOSA-N 0 0 489.523 4.600 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)Cc3nc(-c4ccccc4)cs3)ccc2C)ccn1 ZINC001445127030 1066540099 /nfs/dbraw/zinc/54/00/99/1066540099.db2.gz PFLBQYWRHIQCPI-UHFFFAOYSA-N 0 0 458.543 4.847 20 0 JJADRN O=C(CNC(=O)C(Cc1ccccc1)Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC001445155875 1066540600 /nfs/dbraw/zinc/54/06/00/1066540600.db2.gz LMSHBYSZIHHZSH-UHFFFAOYSA-N 0 0 454.614 4.686 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCCOCc1ccccc1 ZINC001445137418 1066540778 /nfs/dbraw/zinc/54/07/78/1066540778.db2.gz ZFEJVAPHSUUCJI-UHFFFAOYSA-N 0 0 459.612 4.513 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001456230042 1066540816 /nfs/dbraw/zinc/54/08/16/1066540816.db2.gz WIQQMSCHYVXRKG-NRFANRHFSA-N 0 0 454.295 4.972 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(C)C ZINC001456225465 1066540865 /nfs/dbraw/zinc/54/08/65/1066540865.db2.gz NGRWMOFDDPNOOF-IBGZPJMESA-N 0 0 459.331 4.912 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cc(CCc3ccccc3)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001361208300 1066540900 /nfs/dbraw/zinc/54/09/00/1066540900.db2.gz PPODDTXIOAJYGU-DVECYGJZSA-N 0 0 451.929 4.817 20 0 JJADRN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001361208378 1066540910 /nfs/dbraw/zinc/54/09/10/1066540910.db2.gz RJPIQYMQYYTUAL-MJUUVYJYSA-N 0 0 450.645 4.666 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCS[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001545972369 1066541128 /nfs/dbraw/zinc/54/11/28/1066541128.db2.gz DYNIDEWSVDUCIH-PGRDOPGGSA-N 0 0 457.619 4.858 20 0 JJADRN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001456234181 1066541137 /nfs/dbraw/zinc/54/11/37/1066541137.db2.gz BRIWFGLGRGPYIF-UHFFFAOYSA-N 0 0 455.278 4.621 20 0 JJADRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001456238004 1066541663 /nfs/dbraw/zinc/54/16/63/1066541663.db2.gz LNJJVDDAUHANFK-IBGZPJMESA-N 0 0 451.517 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCc2ccccc2OC(F)F)o1 ZINC001361209174 1066542176 /nfs/dbraw/zinc/54/21/76/1066542176.db2.gz OBYFTVPKKWWVOV-IBGZPJMESA-N 0 0 460.525 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361209184 1066542221 /nfs/dbraw/zinc/54/22/21/1066542221.db2.gz OJRCCOPWCPMVCB-LJQANCHMSA-N 0 0 483.579 4.762 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445166274 1066542233 /nfs/dbraw/zinc/54/22/33/1066542233.db2.gz RPFNKWZNLGIUNW-QZTJIDSGSA-N 0 0 450.560 4.612 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445166283 1066542349 /nfs/dbraw/zinc/54/23/49/1066542349.db2.gz RPFNKWZNLGIUNW-ZWKOTPCHSA-N 0 0 450.560 4.612 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCc2ccccc2OC(F)F)o1 ZINC001361209175 1066542300 /nfs/dbraw/zinc/54/23/00/1066542300.db2.gz OBYFTVPKKWWVOV-LJQANCHMSA-N 0 0 460.525 4.942 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545972446 1066542384 /nfs/dbraw/zinc/54/23/84/1066542384.db2.gz GGMKABORIKAIIH-TZIWHRDSSA-N 0 0 482.604 4.720 20 0 JJADRN O=C(c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)N1CCC(OCCc2ccccc2)CC1 ZINC001456239664 1066542664 /nfs/dbraw/zinc/54/26/64/1066542664.db2.gz HTUHELJKGBPMNT-UHFFFAOYSA-N 0 0 457.496 4.814 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2cccc(C(C)(C)O)c2)o1 ZINC001361209503 1066542817 /nfs/dbraw/zinc/54/28/17/1066542817.db2.gz ZGHWZWMPTBHBHJ-UHFFFAOYSA-N 0 0 452.599 4.906 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)cc1Cl)c1ccncc1 ZINC001456241341 1066543359 /nfs/dbraw/zinc/54/33/59/1066543359.db2.gz BBSLTVQOOZZUFJ-UZLBHIALSA-N 0 0 457.317 4.752 20 0 JJADRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241241 1066543371 /nfs/dbraw/zinc/54/33/71/1066543371.db2.gz AMXAIZSJXXLDEM-CJNGLKHVSA-N 0 0 452.338 4.553 20 0 JJADRN O=C(c1cc2c([nH]1)c(Cl)ccc2Br)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001445173346 1066543443 /nfs/dbraw/zinc/54/34/43/1066543443.db2.gz MMSIDMBRNBRTPB-CQSZACIVSA-N 0 0 455.780 4.774 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4ccccc43)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361210242 1066543624 /nfs/dbraw/zinc/54/36/24/1066543624.db2.gz FNQZOHFTIHQBBY-UHFFFAOYSA-N 0 0 459.497 4.701 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2Cc2ccccc2OC(F)F)o1 ZINC001361210401 1066543697 /nfs/dbraw/zinc/54/36/97/1066543697.db2.gz JJWXNMXUTMGTJI-UHFFFAOYSA-N 0 0 465.298 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cc(F)ccc4C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361210384 1066543761 /nfs/dbraw/zinc/54/37/61/1066543761.db2.gz IZDJFLBEVVVQSN-INIZCTEOSA-N 0 0 469.561 4.709 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)[C@@H](CC)CN1C(C)=O ZINC001445182558 1066543781 /nfs/dbraw/zinc/54/37/81/1066543781.db2.gz IOIFRXDETMJGLU-RTWAWAEBSA-N 0 0 450.608 4.717 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445177519 1066543856 /nfs/dbraw/zinc/54/38/56/1066543856.db2.gz JOKGQUKMSSHRQK-WNSKOXEYSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361210519 1066544246 /nfs/dbraw/zinc/54/42/46/1066544246.db2.gz MVJHBVWWMLFUMP-OAHLLOKOSA-N 0 0 471.989 4.976 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2nn(CC)cc2Br)cc1 ZINC001456244041 1066544277 /nfs/dbraw/zinc/54/42/77/1066544277.db2.gz NJMMNVZQCQFOJW-OALUTQOASA-N 0 0 450.377 4.574 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)C2CCN(CC(F)F)CC2)cc1Cl)c1ccncc1 ZINC001456243390 1066544329 /nfs/dbraw/zinc/54/43/29/1066544329.db2.gz GFPVKYRZPIIWQV-UHFFFAOYSA-N 0 0 457.308 4.556 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC4(C3)CCOCC4)n2CC(F)(F)F)cc1Br ZINC001361210907 1066544537 /nfs/dbraw/zinc/54/45/37/1066544537.db2.gz VMNMTYGTMBFRPI-UHFFFAOYSA-N 0 0 459.310 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCCC(=O)N(C)C)cc1Br ZINC001361210666 1066544596 /nfs/dbraw/zinc/54/45/96/1066544596.db2.gz REYKHIYYAXKXSK-IBGZPJMESA-N 0 0 476.463 4.757 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC(Cc4ccc(Cl)cc4)C3)cc2)cc1 ZINC001445192687 1066544713 /nfs/dbraw/zinc/54/47/13/1066544713.db2.gz ONFLKOCRDXUDKK-UHFFFAOYSA-N 0 0 453.991 4.937 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(Cc2ccc(Cl)cc2)C1)c1c(F)cccc1F ZINC001445194050 1066544723 /nfs/dbraw/zinc/54/47/23/1066544723.db2.gz RHDYIMFVHYHWBC-HXUWFJFHSA-N 0 0 450.913 4.885 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC001445209692 1066544825 /nfs/dbraw/zinc/54/48/25/1066544825.db2.gz DCSDDHISJPYFIQ-DENIHFKCSA-N 0 0 459.656 4.866 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1 ZINC001445193494 1066544847 /nfs/dbraw/zinc/54/48/47/1066544847.db2.gz PLRTYMPKRRMDJR-KDURUIRLSA-N 0 0 454.998 4.823 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)/C=C/c3ccc(I)o3)s2)c1 ZINC001456246465 1066545105 /nfs/dbraw/zinc/54/51/05/1066545105.db2.gz FISVXCYGNDEXQO-GQCTYLIASA-N 0 0 451.289 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)OCc2cccc(OC(F)(F)F)c2)(C(F)(F)F)C1 ZINC001361211647 1066545604 /nfs/dbraw/zinc/54/56/04/1066545604.db2.gz WGLVNWJFSGOSPX-QGZVFWFLSA-N 0 0 457.367 4.818 20 0 JJADRN CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc2ncc(I)n2c1 ZINC001456248463 1066545701 /nfs/dbraw/zinc/54/57/01/1066545701.db2.gz QUGBTOKDKZKLCV-UHFFFAOYSA-N 0 0 455.683 4.632 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(-c2ccc(F)cc2)n(C)n1 ZINC001456248260 1066545755 /nfs/dbraw/zinc/54/57/55/1066545755.db2.gz SJJDRJXSUXKJGO-UHFFFAOYSA-N 0 0 459.521 4.956 20 0 JJADRN Cn1nc(Cl)c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c1Cl ZINC001445215597 1066545763 /nfs/dbraw/zinc/54/57/63/1066545763.db2.gz KGUSVFRNBURTCE-UHFFFAOYSA-N 0 0 452.729 4.954 20 0 JJADRN O=C(CCC(=O)c1ccc(I)cc1)Nc1c(F)cccc1NC1CC1 ZINC001445214459 1066545858 /nfs/dbraw/zinc/54/58/58/1066545858.db2.gz GEMKVFRMGDCOOX-UHFFFAOYSA-N 0 0 452.267 4.606 20 0 JJADRN CSc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC001445214348 1066545872 /nfs/dbraw/zinc/54/58/72/1066545872.db2.gz MFPQOUIJEWIFPN-UHFFFAOYSA-N 0 0 453.029 4.638 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361212085 1066546492 /nfs/dbraw/zinc/54/64/92/1066546492.db2.gz GVRUKTBUVNFXTJ-HUUCEWRRSA-N 0 0 491.327 4.922 20 0 JJADRN COC[C@@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001456251310 1066546503 /nfs/dbraw/zinc/54/65/03/1066546503.db2.gz VWQTVOVUZKMXEC-HXUWFJFHSA-N 0 0 450.501 4.941 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CCC2 ZINC001456251447 1066546591 /nfs/dbraw/zinc/54/65/91/1066546591.db2.gz WHWOQHWVXUYJJU-IBGZPJMESA-N 0 0 455.396 4.898 20 0 JJADRN CC[C@@H](C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456250413 1066546613 /nfs/dbraw/zinc/54/66/13/1066546613.db2.gz LGLOCFNEMNWIPR-KRWDZBQOSA-N 0 0 453.959 4.719 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Br)ccc1NC1CC1 ZINC001445219727 1066546690 /nfs/dbraw/zinc/54/66/90/1066546690.db2.gz VEYZXWHVXNQOFT-UHFFFAOYSA-N 0 0 457.294 4.756 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001456251882 1066547072 /nfs/dbraw/zinc/54/70/72/1066547072.db2.gz KYNTVRAWRCZRTL-UHFFFAOYSA-N 0 0 451.441 4.737 20 0 JJADRN COCCn1nc(C(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCC2)ccc1=O ZINC001445224621 1066547189 /nfs/dbraw/zinc/54/71/89/1066547189.db2.gz XETHRTWTYOUIRT-UHFFFAOYSA-N 0 0 451.592 4.593 20 0 JJADRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC001456254724 1066547439 /nfs/dbraw/zinc/54/74/39/1066547439.db2.gz JNAHEQXZIFEHBS-GOSISDBHSA-N 0 0 453.489 4.658 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NCC(C)(C)SC)n2-c2ccc(C)cc2)cc1 ZINC001361213167 1066547918 /nfs/dbraw/zinc/54/79/18/1066547918.db2.gz PSZJXBXRRZGFNG-UHFFFAOYSA-N 0 0 456.637 4.601 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2CCOC(C)C)cc1Br ZINC001361212962 1066547930 /nfs/dbraw/zinc/54/79/30/1066547930.db2.gz QXADFCYMBGNGMT-LJQANCHMSA-N 0 0 487.446 4.559 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1)C(C)C ZINC001456256302 1066547871 /nfs/dbraw/zinc/54/78/71/1066547871.db2.gz ZPHWWOIMCSSJTQ-UHFFFAOYSA-N 0 0 451.567 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001445230847 1066548078 /nfs/dbraw/zinc/54/80/78/1066548078.db2.gz GGOQTEWETMMJHY-IBGZPJMESA-N 0 0 456.587 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](Cc4noc(C)n4)C3)n2CCCSCC(C)C)o1 ZINC001361213505 1066548177 /nfs/dbraw/zinc/54/81/77/1066548177.db2.gz YHVIEFZOTUHYFV-LJQANCHMSA-N 0 0 458.632 4.776 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCc2cc(F)cc(F)c2)o1 ZINC001361213334 1066548208 /nfs/dbraw/zinc/54/82/08/1066548208.db2.gz WZTUEIZYXNFUCI-IBGZPJMESA-N 0 0 485.579 4.746 20 0 JJADRN O=C(COc1ccccc1C(F)(F)F)Nc1cc(F)c(F)cc1I ZINC001361213384 1066548217 /nfs/dbraw/zinc/54/82/17/1066548217.db2.gz RYCZJEARFOBWQF-UHFFFAOYSA-N 0 0 457.136 4.606 20 0 JJADRN COc1ccc(CCC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c(Br)c1 ZINC001445242562 1066548454 /nfs/dbraw/zinc/54/84/54/1066548454.db2.gz NMXJPOPCDFRXOI-NRFANRHFSA-N 0 0 458.352 4.746 20 0 JJADRN O=C(NCc1cnn2c1CCCC2)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001456262486 1066548928 /nfs/dbraw/zinc/54/89/28/1066548928.db2.gz NNORLKNRWLMXHI-NRFANRHFSA-N 0 0 458.331 4.558 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)nc1C ZINC001445250953 1066548893 /nfs/dbraw/zinc/54/88/93/1066548893.db2.gz BNKYBICCYCLVIH-UHFFFAOYSA-N 0 0 455.483 4.701 20 0 JJADRN CC(C)c1cc(CNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)on1 ZINC001456262932 1066549338 /nfs/dbraw/zinc/54/93/38/1066549338.db2.gz GQEPPJNHLRKFPQ-UHFFFAOYSA-N 0 0 454.577 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCCN(C)c2ccccc2)o1 ZINC001361213894 1066549326 /nfs/dbraw/zinc/54/93/26/1066549326.db2.gz CXAPIJZAFBRNJH-QFIPXVFZSA-N 0 0 492.668 4.894 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973148 1066549714 /nfs/dbraw/zinc/54/97/14/1066549714.db2.gz TVCZRBBJSMLZNW-IRLDBZIGSA-N 0 0 492.624 4.549 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC(C)C)cc1Br ZINC001361214312 1066550100 /nfs/dbraw/zinc/55/01/00/1066550100.db2.gz MPHAYZAYZXCFIG-SFHVURJKSA-N 0 0 476.463 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2CCOC(C)(C)C)o1 ZINC001361214249 1066550223 /nfs/dbraw/zinc/55/02/23/1066550223.db2.gz LJEXKCDIKZWPEW-INIZCTEOSA-N 0 0 466.508 4.718 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC001445268178 1066550246 /nfs/dbraw/zinc/55/02/46/1066550246.db2.gz FEJVRNDZBILXMP-YEWWUXTCSA-N 0 0 453.391 4.523 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c(C)c1 ZINC001456268830 1066550802 /nfs/dbraw/zinc/55/08/02/1066550802.db2.gz PXKSDUYQBKWZEX-QGZVFWFLSA-N 0 0 453.539 4.832 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c2ccccc21 ZINC001456268932 1066550824 /nfs/dbraw/zinc/55/08/24/1066550824.db2.gz QLABKTOYGCIKFJ-GJYPPUQNSA-N 0 0 456.505 4.922 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)c2ccccc21 ZINC001456269838 1066550868 /nfs/dbraw/zinc/55/08/68/1066550868.db2.gz ZQFWFTIPAQRUKW-IBGZPJMESA-N 0 0 454.592 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361214655 1066551118 /nfs/dbraw/zinc/55/11/18/1066551118.db2.gz UKRRICKEJLYBQY-HXUWFJFHSA-N 0 0 485.579 4.995 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c(C(F)(F)F)c1 ZINC001456270952 1066551330 /nfs/dbraw/zinc/55/13/30/1066551330.db2.gz PHNBFIAVXAJXHF-UHFFFAOYSA-N 0 0 458.408 4.548 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2)o1 ZINC001361214758 1066551736 /nfs/dbraw/zinc/55/17/36/1066551736.db2.gz WOKURHWJOHOXHS-FQEVSTJZSA-N 0 0 469.561 4.722 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)s2)cc1OC ZINC001445277433 1066551944 /nfs/dbraw/zinc/55/19/44/1066551944.db2.gz SOAGLUTXHMJAMQ-IRXDYDNUSA-N 0 0 458.605 4.926 20 0 JJADRN COC(=O)C12CCC(C(=O)NCc3ccc(Br)cc3Oc3ccccc3)(CC1)C2 ZINC001456271740 1066551920 /nfs/dbraw/zinc/55/19/20/1066551920.db2.gz RLJQXRCVLRCXOQ-UHFFFAOYSA-N 0 0 458.352 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361214886 1066552035 /nfs/dbraw/zinc/55/20/35/1066552035.db2.gz ZGZARTBIZKGTRX-GOSISDBHSA-N 0 0 491.514 4.534 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCc2nccnc2C)cc1Br ZINC001361214869 1066552150 /nfs/dbraw/zinc/55/21/50/1066552150.db2.gz ZBACGHDOTDKNIN-UHFFFAOYSA-N 0 0 455.404 4.736 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)cc1OC ZINC001456272717 1066552315 /nfs/dbraw/zinc/55/23/15/1066552315.db2.gz GFCGKODMHDSEJA-DEOSSOPVSA-N 0 0 451.563 4.608 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)cc1OC ZINC001456272720 1066552384 /nfs/dbraw/zinc/55/23/84/1066552384.db2.gz GFCGKODMHDSEJA-XMMPIXPASA-N 0 0 451.563 4.608 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2Cc2nc(C(C)C)cs2)o1 ZINC001361217445 1066553080 /nfs/dbraw/zinc/55/30/80/1066553080.db2.gz KARUXRMXZKGOFB-UHFFFAOYSA-N 0 0 486.642 4.779 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)CCc3ccccc3NC(=O)OC(C)(C)C)on2)c1 ZINC001456275906 1066553322 /nfs/dbraw/zinc/55/33/22/1066553322.db2.gz OGXYXOIHPZIROV-UHFFFAOYSA-N 0 0 451.523 4.946 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N3CCOC[C@H]3CC(=O)c3cccs3)cc2)n1 ZINC001445284321 1066553328 /nfs/dbraw/zinc/55/33/28/1066553328.db2.gz JLOAQXRVTHHZPU-GOSISDBHSA-N 0 0 458.630 4.919 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC001445288113 1066553742 /nfs/dbraw/zinc/55/37/42/1066553742.db2.gz MZWKILSWWYHNSV-BRWVUGGUSA-N 0 0 458.521 4.872 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001445288179 1066553848 /nfs/dbraw/zinc/55/38/48/1066553848.db2.gz PHPXZMVXOHWRTH-QFIPXVFZSA-N 0 0 456.505 4.885 20 0 JJADRN COc1ccc(CCCC(=O)N2CCOc3cc(Br)c(Cl)cc32)c(OC)c1 ZINC001361217883 1066554051 /nfs/dbraw/zinc/55/40/51/1066554051.db2.gz KODMONVRNBQPPM-UHFFFAOYSA-N 0 0 454.748 4.868 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCOC(C)(C)C)cc1Br ZINC001361218069 1066554061 /nfs/dbraw/zinc/55/40/61/1066554061.db2.gz KGJGCSBIJJCZPO-HXUWFJFHSA-N 0 0 487.446 4.906 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2CCC(=O)N(C)C)cc1Br ZINC001361218370 1066554359 /nfs/dbraw/zinc/55/43/59/1066554359.db2.gz MSQQXZZCFNBLHQ-LJQANCHMSA-N 0 0 488.455 4.897 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCN2CCOC(C)(C)C2)cc1Br ZINC001361218300 1066554422 /nfs/dbraw/zinc/55/44/22/1066554422.db2.gz LPRYHORZACIVFQ-NRFANRHFSA-N 0 0 490.490 4.752 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)o1 ZINC001361218192 1066554516 /nfs/dbraw/zinc/55/45/16/1066554516.db2.gz PEXRFEMXGZZLSO-IFMALSPDSA-N 0 0 487.645 4.747 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)Oc1ccccc1C(F)(F)F ZINC001445289436 1066554546 /nfs/dbraw/zinc/55/45/46/1066554546.db2.gz XBQGENUDGPIIEM-AWEZNQCLSA-N 0 0 456.461 4.911 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)on2)c1 ZINC001456281308 1066554791 /nfs/dbraw/zinc/55/47/91/1066554791.db2.gz MVJSSTLTYGJOEK-XMMPIXPASA-N 0 0 455.514 4.528 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445292575 1066554931 /nfs/dbraw/zinc/55/49/31/1066554931.db2.gz CGDFCQMCBZNFLS-DEOSSOPVSA-N 0 0 454.929 4.856 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1ncccc1NCC1CCC1 ZINC001456283583 1066555392 /nfs/dbraw/zinc/55/53/92/1066555392.db2.gz BEQPLPINVVPILF-UHFFFAOYSA-N 0 0 453.178 4.749 20 0 JJADRN O=C(NC[C@@H]1CSCCS1)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001445300628 1066556054 /nfs/dbraw/zinc/55/60/54/1066556054.db2.gz YTJUUFGXJNGBAE-QAPCUYQASA-N 0 0 456.402 4.673 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCCC2)cnn1CC(C)C ZINC001361219198 1066556163 /nfs/dbraw/zinc/55/61/63/1066556163.db2.gz VKLOJMDPGAYLKL-UHFFFAOYSA-N 0 0 457.420 4.825 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1ncc(Cc2ccccc2)o1 ZINC001456290959 1066556378 /nfs/dbraw/zinc/55/63/78/1066556378.db2.gz NPTQRYILTZVMBR-UHFFFAOYSA-N 0 0 450.130 4.720 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973750 1066556541 /nfs/dbraw/zinc/55/65/41/1066556541.db2.gz HAOCFUHWBXVOHX-LEWJYISDSA-N 0 0 458.331 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3Cc3cccs3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361219947 1066556642 /nfs/dbraw/zinc/55/66/42/1066556642.db2.gz XLKRPTZCINTSLR-GOSISDBHSA-N 0 0 471.627 4.986 20 0 JJADRN Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1OCc1ccccc1 ZINC001456294655 1066556882 /nfs/dbraw/zinc/55/68/82/1066556882.db2.gz LOGHGCNIDZXVPD-UHFFFAOYSA-N 0 0 458.967 4.535 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Oc1ccccc1Cl ZINC001445327708 1066557081 /nfs/dbraw/zinc/55/70/81/1066557081.db2.gz QQNVZZSKMDXJHC-LJQANCHMSA-N 0 0 458.967 4.728 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973782 1066557252 /nfs/dbraw/zinc/55/72/52/1066557252.db2.gz HPNJPHAMXWPHGJ-IXDGSTSKSA-N 0 0 454.311 4.609 20 0 JJADRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001445331128 1066557760 /nfs/dbraw/zinc/55/77/60/1066557760.db2.gz BWVFXBJOAQVENJ-UHFFFAOYSA-N 0 0 454.439 4.590 20 0 JJADRN C[C@H](c1ccc(C(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1)C(F)(F)F ZINC001445335409 1066558366 /nfs/dbraw/zinc/55/83/66/1066558366.db2.gz XKYMFDZBLLPARC-MRXNPFEDSA-N 0 0 458.521 4.888 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361220844 1066558370 /nfs/dbraw/zinc/55/83/70/1066558370.db2.gz GKDFKJSFDDHUMY-NLFFAJNJSA-N 0 0 471.671 4.978 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2[C@H]2C[C@@H]2C)cc1Br ZINC001361220818 1066558415 /nfs/dbraw/zinc/55/84/15/1066558415.db2.gz FSXPTOSQRCDZPK-YJBOKZPZSA-N 0 0 476.419 4.654 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@H]2CCCCC(F)(F)C2)o1 ZINC001361220827 1066558470 /nfs/dbraw/zinc/55/84/70/1066558470.db2.gz FXZJVJIXMWXPDQ-IBGZPJMESA-N 0 0 479.572 4.977 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2C)cc1Br ZINC001361220815 1066558497 /nfs/dbraw/zinc/55/84/97/1066558497.db2.gz FSXPTOSQRCDZPK-CRAIPNDOSA-N 0 0 476.419 4.654 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2CCCOCC(C)C)o1 ZINC001361220926 1066558950 /nfs/dbraw/zinc/55/89/50/1066558950.db2.gz IWKRTALIFITNKR-FQEVSTJZSA-N 0 0 457.644 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2cccc(Cl)c2)o1 ZINC001361220951 1066558971 /nfs/dbraw/zinc/55/89/71/1066558971.db2.gz JRCGNGVMYPGYBP-MRXNPFEDSA-N 0 0 471.989 4.994 20 0 JJADRN C[C@H](CNC(=O)c1ccoc1COc1ccc(C=O)cc1)Oc1ccccc1Br ZINC001445338862 1066559292 /nfs/dbraw/zinc/55/92/92/1066559292.db2.gz OUCAAAMLXBZSCA-OAHLLOKOSA-N 0 0 458.308 4.631 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccc(F)cc2Cl)o1 ZINC001361221095 1066559480 /nfs/dbraw/zinc/55/94/80/1066559480.db2.gz NPLUOHXCQXQSTG-UHFFFAOYSA-N 0 0 489.979 4.939 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973954 1066559562 /nfs/dbraw/zinc/55/95/62/1066559562.db2.gz LWOHIEMNBHAQAH-NJYVYQBISA-N 0 0 450.595 4.816 20 0 JJADRN COCCCOc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC001361221944 1066560497 /nfs/dbraw/zinc/56/04/97/1066560497.db2.gz OKBIUWADXJBRGA-UHFFFAOYSA-N 0 0 452.511 4.803 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001545974044 1066560470 /nfs/dbraw/zinc/56/04/70/1066560470.db2.gz NLIAUOOQRBSHHG-MCEYFSPLSA-N 0 0 456.558 4.680 20 0 JJADRN CO[C@H](C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001445345089 1066560599 /nfs/dbraw/zinc/56/05/99/1066560599.db2.gz JDGRABMVPRMESR-DOTOQJQBSA-N 0 0 455.782 4.613 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ccccc4Cl)CC3)n2CC(F)(F)Br)o1 ZINC001361222449 1066560986 /nfs/dbraw/zinc/56/09/86/1066560986.db2.gz DIQSFYOLCOBAJL-UHFFFAOYSA-N 0 0 486.748 4.814 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001456316297 1066561258 /nfs/dbraw/zinc/56/12/58/1066561258.db2.gz FUXURFMADCFTNT-FFZOFVMBSA-N 0 0 475.416 4.798 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(C)cc3)cc2)c1 ZINC001456314804 1066561326 /nfs/dbraw/zinc/56/13/26/1066561326.db2.gz DGNREWPMUJCMAH-XMMPIXPASA-N 0 0 458.558 4.868 20 0 JJADRN CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](COC)Cc1ccccc1 ZINC001445358420 1066561741 /nfs/dbraw/zinc/56/17/41/1066561741.db2.gz KPUSJYKJNUXDIO-CTNGQTDRSA-N 0 0 455.599 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C)Oc2ccccc2F)o1 ZINC001361223929 1066562064 /nfs/dbraw/zinc/56/20/64/1066562064.db2.gz DGSNLHZPJAIJHH-WBVHZDCISA-N 0 0 481.494 4.526 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001456322702 1066562214 /nfs/dbraw/zinc/56/22/14/1066562214.db2.gz TWKAXQSDFTWGSF-UHFFFAOYSA-N 0 0 450.560 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC001456322683 1066562262 /nfs/dbraw/zinc/56/22/62/1066562262.db2.gz SVFTUBYNBWQLKG-LVXARBLLSA-N 0 0 451.567 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C2)C1 ZINC001445363984 1066562701 /nfs/dbraw/zinc/56/27/01/1066562701.db2.gz JBISAKPUGBVJKF-FZTQNYJHSA-N 0 0 450.567 4.793 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001546081440 1066562658 /nfs/dbraw/zinc/56/26/58/1066562658.db2.gz OZPYAZQRDHVCCW-SHUHUVMISA-N 0 0 458.569 4.997 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3N(C)c3ccccc3)CC2)c1 ZINC001456324025 1066562798 /nfs/dbraw/zinc/56/27/98/1066562798.db2.gz UJMOCBVGMDNPJP-QFIPXVFZSA-N 0 0 457.574 4.515 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC(F)(F)c2ccccc2)o1 ZINC001361224452 1066562935 /nfs/dbraw/zinc/56/29/35/1066562935.db2.gz UWPITJBEXHZZTR-OAHLLOKOSA-N 0 0 469.458 4.711 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)c1 ZINC001456324165 1066562892 /nfs/dbraw/zinc/56/28/92/1066562892.db2.gz VYKBKPDXFIJOEU-NRFANRHFSA-N 0 0 454.636 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361224343 1066562979 /nfs/dbraw/zinc/56/29/79/1066562979.db2.gz QWEOLORQNVXNHU-HOTGVXAUSA-N 0 0 461.479 4.602 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(C3CCOCC3)cc2)CC1 ZINC001456328197 1066563210 /nfs/dbraw/zinc/56/32/10/1066563210.db2.gz HQBDSXZRNXOGIA-SFHVURJKSA-N 0 0 457.412 4.862 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC001456326932 1066563319 /nfs/dbraw/zinc/56/33/19/1066563319.db2.gz DXKMJZDQNONBAD-GOSISDBHSA-N 0 0 459.281 4.915 20 0 JJADRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Oc1c(Cl)cc(Br)cc1Cl ZINC001456330117 1066563952 /nfs/dbraw/zinc/56/39/52/1066563952.db2.gz YMPJIMUGYVSHNW-UHFFFAOYSA-N 0 0 450.116 4.664 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001361224815 1066564020 /nfs/dbraw/zinc/56/40/20/1066564020.db2.gz IOHFTOJEXRBNGK-MRXNPFEDSA-N 0 0 452.776 4.975 20 0 JJADRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445371440 1066564068 /nfs/dbraw/zinc/56/40/68/1066564068.db2.gz AICKXHIXRMVFBP-QUCCMNQESA-N 0 0 452.551 4.720 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CCNC(=O)c1ccsc1 ZINC001456334694 1066564284 /nfs/dbraw/zinc/56/42/84/1066564284.db2.gz AXNNBINAOVMOQF-UHFFFAOYSA-N 0 0 458.923 4.739 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N(C)[C@H](C)C2(C)CC2)n1-c1ccccc1 ZINC001445374027 1066564491 /nfs/dbraw/zinc/56/44/91/1066564491.db2.gz WRCFYCRGWFDLFP-LJQANCHMSA-N 0 0 450.608 4.894 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1 ZINC001456338179 1066564787 /nfs/dbraw/zinc/56/47/87/1066564787.db2.gz JOGVOADMVNLCQH-WJOKGBTCSA-N 0 0 456.564 4.855 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1 ZINC001456338177 1066564808 /nfs/dbraw/zinc/56/48/08/1066564808.db2.gz JOGVOADMVNLCQH-HKBQPEDESA-N 0 0 456.564 4.855 20 0 JJADRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001445378140 1066565001 /nfs/dbraw/zinc/56/50/01/1066565001.db2.gz OIZOISUXGJHLSX-WIYYLYMNSA-N 0 0 452.551 4.720 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)nnc1-c1ccccc1 ZINC001456339408 1066565472 /nfs/dbraw/zinc/56/54/72/1066565472.db2.gz PQGVPNHBLFXPFS-IPJJNNNSSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@@H]2CCO[C@H](C)C2)cc1Br ZINC001361227283 1066565619 /nfs/dbraw/zinc/56/56/19/1066565619.db2.gz JRIBJAVIYICVON-QZTJIDSGSA-N 0 0 477.447 4.836 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1ccccc1 ZINC001456346099 1066566416 /nfs/dbraw/zinc/56/64/16/1066566416.db2.gz ZOXJDXFRJNAYLB-IBGZPJMESA-N 0 0 455.917 4.752 20 0 JJADRN CNC(=O)[C@H](C)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001445398655 1066566677 /nfs/dbraw/zinc/56/66/77/1066566677.db2.gz AVTHKWAKNSLYGJ-HXUWFJFHSA-N 0 0 452.558 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361227751 1066566552 /nfs/dbraw/zinc/56/65/52/1066566552.db2.gz UWHPONYXOBLMFY-JCNLHEQBSA-N 0 0 451.384 4.769 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1Cl ZINC001456346885 1066566833 /nfs/dbraw/zinc/56/68/33/1066566833.db2.gz XLDORBSHQSOSQR-INIZCTEOSA-N 0 0 455.407 4.528 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)Oc1cccc(C(F)(F)F)c1 ZINC001445399358 1066567178 /nfs/dbraw/zinc/56/71/78/1066567178.db2.gz XHMUCAYGYGARNO-UWJYYQICSA-N 0 0 458.484 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C(F)(F)C2CCOCC2)c2ccccc2F)CC1 ZINC001456349094 1066567197 /nfs/dbraw/zinc/56/71/97/1066567197.db2.gz DWYNVFKYSLVDNG-UHFFFAOYSA-N 0 0 456.505 4.620 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(Oc4cccc(Cl)c4)cn3)sc21 ZINC001456350235 1066567222 /nfs/dbraw/zinc/56/72/22/1066567222.db2.gz CZZVEJTWOHNAJX-UHFFFAOYSA-N 0 0 454.895 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCSCC(F)(F)F)cc1Br ZINC001361228738 1066567653 /nfs/dbraw/zinc/56/76/53/1066567653.db2.gz DJUNOYYBLRAJAI-ZDUSSCGKSA-N 0 0 479.366 4.537 20 0 JJADRN CCOC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001445403001 1066567659 /nfs/dbraw/zinc/56/76/59/1066567659.db2.gz MAQPVNNLBARBJL-OAQYLSRUSA-N 0 0 458.624 4.528 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC001361229182 1066567958 /nfs/dbraw/zinc/56/79/58/1066567958.db2.gz AEDALTYUTVOLRA-OAQYLSRUSA-N 0 0 450.604 4.880 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)c(OC)c2Cl)C1 ZINC001546081735 1066568260 /nfs/dbraw/zinc/56/82/60/1066568260.db2.gz VVIXTPZQFZVHEH-HMHJJOSWSA-N 0 0 493.048 4.542 20 0 JJADRN CN(C(=O)[C@H]1CCCn2ncnc21)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419219 1066568719 /nfs/dbraw/zinc/56/87/19/1066568719.db2.gz UCKOSEIKILJXSN-RBUKOAKNSA-N 0 0 459.775 4.819 20 0 JJADRN CCSc1ccc(CC(=O)N(C)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 ZINC001456356248 1066568780 /nfs/dbraw/zinc/56/87/80/1066568780.db2.gz CZQREZUEKMNIOX-UHFFFAOYSA-N 0 0 454.386 4.792 20 0 JJADRN C[C@@H](CNC(=O)C1(c2ccc(I)cc2)CC1)Oc1ccccc1Cl ZINC001361230003 1066569050 /nfs/dbraw/zinc/56/90/50/1066569050.db2.gz LAZSJDJJLBCSRB-ZDUSSCGKSA-N 0 0 455.723 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(Cl)s4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361229533 1066569073 /nfs/dbraw/zinc/56/90/73/1066569073.db2.gz SEPOWLNPSJRMAH-MRXNPFEDSA-N 0 0 494.017 4.664 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOCC4(CC4)C3)n2CCCCOC(C)C)cc1Br ZINC001361229677 1066569101 /nfs/dbraw/zinc/56/91/01/1066569101.db2.gz URAHKFMVSUPESO-UHFFFAOYSA-N 0 0 477.447 4.838 20 0 JJADRN CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001445422646 1066569226 /nfs/dbraw/zinc/56/92/26/1066569226.db2.gz ZAIDDLYDEAFKLV-JOCHJYFZSA-N 0 0 455.327 4.566 20 0 JJADRN CCCCO[C@H]1C[C@@H](N(C)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1(C)C ZINC001445419442 1066569242 /nfs/dbraw/zinc/56/92/42/1066569242.db2.gz UXQQZYOJCYRAAQ-MSOLQXFVSA-N 0 0 450.649 4.747 20 0 JJADRN COc1cc(C(=O)Nc2cccc3nccn32)ccc1OCc1ccc(Br)cc1 ZINC001456357876 1066569335 /nfs/dbraw/zinc/56/93/35/1066569335.db2.gz HCNHLFCRJULKFF-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001445421094 1066569322 /nfs/dbraw/zinc/56/93/22/1066569322.db2.gz IYDDHFYUBJUHEJ-GOSISDBHSA-N 0 0 452.860 4.866 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)nnc1-c1ccccc1 ZINC001361230103 1066569454 /nfs/dbraw/zinc/56/94/54/1066569454.db2.gz NACMLCLMHWRARQ-VQTJNVASSA-N 0 0 452.624 4.609 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001456358986 1066569478 /nfs/dbraw/zinc/56/94/78/1066569478.db2.gz KAVVPBFWMJUMHV-CMCRGWCASA-N 0 0 458.990 4.803 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001445426269 1066569848 /nfs/dbraw/zinc/56/98/48/1066569848.db2.gz MCDITXSXBAVUNT-CABCVRRESA-N 0 0 457.983 4.948 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)N(C)C[C@@H](O)COc3ccccc3C(F)(F)F)s2)o1 ZINC001445426414 1066570041 /nfs/dbraw/zinc/57/00/41/1066570041.db2.gz ONTSZFDTAHIRBN-CQSZACIVSA-N 0 0 454.470 4.551 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)C1 ZINC001361231052 1066570376 /nfs/dbraw/zinc/57/03/76/1066570376.db2.gz JYNJNCRQUCLIMP-CYBMUJFWSA-N 0 0 462.417 4.611 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231045 1066570491 /nfs/dbraw/zinc/57/04/91/1066570491.db2.gz JTLNWPUVWUSACU-INIZCTEOSA-N 0 0 458.429 4.595 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)C1 ZINC001361230948 1066570528 /nfs/dbraw/zinc/57/05/28/1066570528.db2.gz HHZOJGUBEIKYQF-MRXNPFEDSA-N 0 0 475.460 4.553 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2CCN(C)CC(F)(F)F)o1 ZINC001361230992 1066570576 /nfs/dbraw/zinc/57/05/76/1066570576.db2.gz IIBOIZIKBSOALW-UHFFFAOYSA-N 0 0 457.566 4.597 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3nnn(-c4ccc(OC(C)C)cc4)c3C)cc2)c1 ZINC001456361521 1066570796 /nfs/dbraw/zinc/57/07/96/1066570796.db2.gz PXCAPDUWGHFZNV-UHFFFAOYSA-N 0 0 456.546 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H]2CCCS2)cc1Br ZINC001361231117 1066571075 /nfs/dbraw/zinc/57/10/75/1066571075.db2.gz LPOKBXLNAVJSPD-HOCLYGCPSA-N 0 0 453.475 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361231123 1066571095 /nfs/dbraw/zinc/57/10/95/1066571095.db2.gz LSQUNDJPEOYGTR-ICSRJNTNSA-N 0 0 477.472 4.939 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361231163 1066571116 /nfs/dbraw/zinc/57/11/16/1066571116.db2.gz MTOCJNYDMWEHFP-PWEULYCESA-N 0 0 497.528 4.647 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)C1 ZINC001456362563 1066571231 /nfs/dbraw/zinc/57/12/31/1066571231.db2.gz JZEOOIBRKFRIQA-HZPDHXFCSA-N 0 0 456.493 4.634 20 0 JJADRN CC(=O)Nc1cccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2COCC[Si](C)(C)C)c1C ZINC001456362241 1066571280 /nfs/dbraw/zinc/57/12/80/1066571280.db2.gz UGILAPLNLIHGEF-OAQYLSRUSA-N 0 0 456.663 4.686 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)cc1Br ZINC001361231549 1066571416 /nfs/dbraw/zinc/57/14/16/1066571416.db2.gz CWVGSQCZHCVYDI-XYJFISCASA-N 0 0 494.409 4.650 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)[C@@H](CC)CN1C(C)=O ZINC001361231354 1066571500 /nfs/dbraw/zinc/57/15/00/1066571500.db2.gz ATROPCJTEVSSOQ-IRXDYDNUSA-N 0 0 459.015 4.910 20 0 JJADRN CC1(C)CN(C(=O)[C@@]2(c3ccccc3)CCCO2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456363690 1066571732 /nfs/dbraw/zinc/57/17/32/1066571732.db2.gz WOZGTNWJFLEGJO-BWKNWUBXSA-N 0 0 455.675 4.811 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001445441709 1066572010 /nfs/dbraw/zinc/57/20/10/1066572010.db2.gz RCGONEYQMPIKHK-RBUKOAKNSA-N 0 0 453.029 4.853 20 0 JJADRN COc1ccccc1C[C@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)C(C)C ZINC001445440546 1066572103 /nfs/dbraw/zinc/57/21/03/1066572103.db2.gz ZYDWNXLBNRBKHC-ICSRJNTNSA-N 0 0 457.571 4.752 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456366830 1066572109 /nfs/dbraw/zinc/57/21/09/1066572109.db2.gz DQGFQRNSYCEDRP-LJQANCHMSA-N 0 0 450.913 4.822 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001445452434 1066572433 /nfs/dbraw/zinc/57/24/33/1066572433.db2.gz FAXBWTFSGCXWPI-KRWDZBQOSA-N 0 0 452.580 4.580 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C1 ZINC001445451175 1066572451 /nfs/dbraw/zinc/57/24/51/1066572451.db2.gz DLVDWLHAGWQUKF-QGZVFWFLSA-N 0 0 451.007 4.586 20 0 JJADRN C[C@H](NC(=O)c1nccnc1SCc1ccccc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445449980 1066572537 /nfs/dbraw/zinc/57/25/37/1066572537.db2.gz ZVIZHAANKGCAEH-AWEZNQCLSA-N 0 0 451.939 4.963 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001361232484 1066572690 /nfs/dbraw/zinc/57/26/90/1066572690.db2.gz PKABZESHPSCZDR-BETUJISGSA-N 0 0 497.413 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C(F)F)c2)o1 ZINC001361232398 1066572850 /nfs/dbraw/zinc/57/28/50/1066572850.db2.gz OHMMNWRROHESJE-SFHVURJKSA-N 0 0 473.524 4.936 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC001361232172 1066572979 /nfs/dbraw/zinc/57/29/79/1066572979.db2.gz MXGWNPKHOZEAKX-GASCZTMLSA-N 0 0 490.471 4.946 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001456374182 1066573196 /nfs/dbraw/zinc/57/31/96/1066573196.db2.gz JIVQOKIBRBCVSI-HXUWFJFHSA-N 0 0 451.588 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccc(F)cc4)C3)n2CC(F)(F)Br)o1 ZINC001361232791 1066573352 /nfs/dbraw/zinc/57/33/52/1066573352.db2.gz YCRKBEKKAYASIZ-CXAGYDPISA-N 0 0 485.304 4.940 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCCO2)cc1Br ZINC001361232726 1066573449 /nfs/dbraw/zinc/57/34/49/1066573449.db2.gz VRRFHQDVGIEKJR-HLLBOEOZSA-N 0 0 469.374 4.923 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361232632 1066573457 /nfs/dbraw/zinc/57/34/57/1066573457.db2.gz RLOAAFOJYPCQAE-ZMSDIMECSA-N 0 0 485.551 4.984 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)OC ZINC001545975393 1066573625 /nfs/dbraw/zinc/57/36/25/1066573625.db2.gz QRLJIMONGYHBQM-HXUWFJFHSA-N 0 0 496.656 4.603 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001445463604 1066574218 /nfs/dbraw/zinc/57/42/18/1066574218.db2.gz MVFHDWMNKIZPFT-CQSZACIVSA-N 0 0 454.489 4.606 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCCC1 ZINC001456383238 1066574237 /nfs/dbraw/zinc/57/42/37/1066574237.db2.gz KSHKYZRNFNENOJ-UHFFFAOYSA-N 0 0 456.558 4.901 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001445471380 1066575163 /nfs/dbraw/zinc/57/51/63/1066575163.db2.gz ZUNBNCNHSYFNAF-QPPBQGQZSA-N 0 0 453.579 4.660 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456388743 1066575461 /nfs/dbraw/zinc/57/54/61/1066575461.db2.gz AEGWFSAYNYCRCF-OKILXGFUSA-N 0 0 453.370 4.649 20 0 JJADRN CC[C@@H](NC(=O)c1cc(OC)ncn1)c1ccccc1OCc1ccccc1Br ZINC001456388996 1066575560 /nfs/dbraw/zinc/57/55/60/1066575560.db2.gz AVZVHICXUSILDM-GOSISDBHSA-N 0 0 456.340 4.708 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NCCNc3ccc(-c4ccccc4)nn3)cc2s1 ZINC001445477913 1066575878 /nfs/dbraw/zinc/57/58/78/1066575878.db2.gz NCDICWARUGIETP-UHFFFAOYSA-N 0 0 452.609 4.503 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456390944 1066575990 /nfs/dbraw/zinc/57/59/90/1066575990.db2.gz CONMBQNGZHYMIY-QRVBRYPASA-N 0 0 453.583 4.701 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 ZINC001445480501 1066576012 /nfs/dbraw/zinc/57/60/12/1066576012.db2.gz VOQQYQWLGLNXGT-UHFFFAOYSA-N 0 0 455.356 4.535 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC001456391120 1066576078 /nfs/dbraw/zinc/57/60/78/1066576078.db2.gz KZFZXHSUEINYJK-UHFFFAOYSA-N 0 0 456.340 4.787 20 0 JJADRN O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001456391284 1066576094 /nfs/dbraw/zinc/57/60/94/1066576094.db2.gz ZXBZIJNYFBYAKH-UHFFFAOYSA-N 0 0 452.429 4.925 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1OCc1ccc(Cl)cc1 ZINC001456390705 1066576104 /nfs/dbraw/zinc/57/61/04/1066576104.db2.gz XGKDMHUOAQZZIR-LLVKDONJSA-N 0 0 454.836 4.556 20 0 JJADRN Cn1cc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001445486868 1066576821 /nfs/dbraw/zinc/57/68/21/1066576821.db2.gz RRUPFTJTZJBUGF-UHFFFAOYSA-N 0 0 451.395 4.579 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC001445487574 1066576902 /nfs/dbraw/zinc/57/69/02/1066576902.db2.gz WZIJNDSVNGUHJZ-UHFFFAOYSA-N 0 0 451.445 4.642 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445486861 1066576947 /nfs/dbraw/zinc/57/69/47/1066576947.db2.gz RPPHISKYKLMDAX-UHFFFAOYSA-N 0 0 458.267 4.783 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)Oc1cccc(NC(=O)c2ccco2)c1 ZINC001456393812 1066577005 /nfs/dbraw/zinc/57/70/05/1066577005.db2.gz VPFQYSZNRLNCLG-UHFFFAOYSA-N 0 0 450.672 4.932 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CSc1ccc(Br)cc1C)O[C@H](C)C2 ZINC001361236876 1066577600 /nfs/dbraw/zinc/57/76/00/1066577600.db2.gz COZRWQIEXHWNMD-CQSZACIVSA-N 0 0 450.398 4.888 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CSc3ccc(Cl)cc3)n2CCS(C)(=O)=O)o1 ZINC001361237320 1066577736 /nfs/dbraw/zinc/57/77/36/1066577736.db2.gz NWFAZUXAQIRGBD-SFHVURJKSA-N 0 0 481.043 4.511 20 0 JJADRN O=C(NCc1nccn1CCc1ccccc1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001445493234 1066577916 /nfs/dbraw/zinc/57/79/16/1066577916.db2.gz UHWDSXMWAYFOBJ-UHFFFAOYSA-N 0 0 454.452 4.545 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NC(C)C)o1 ZINC001361237618 1066578058 /nfs/dbraw/zinc/57/80/58/1066578058.db2.gz QJYAECWOXPLRIZ-QFIPXVFZSA-N 0 0 479.625 4.922 20 0 JJADRN Cc1cc2cc(C(=O)N3C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C3)oc2c(Br)c1 ZINC001456396584 1066578270 /nfs/dbraw/zinc/57/82/70/1066578270.db2.gz IOJQRROHXDQWBF-OKILXGFUSA-N 0 0 451.361 4.974 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC001445502048 1066578324 /nfs/dbraw/zinc/57/83/24/1066578324.db2.gz JFGYCEOSVSGMCF-QUCCMNQESA-N 0 0 458.400 4.838 20 0 JJADRN COCCN(CC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)C(=O)OC(C)(C)C ZINC001361238111 1066578625 /nfs/dbraw/zinc/57/86/25/1066578625.db2.gz MFPCWQODPWEOIJ-HXUWFJFHSA-N 0 0 456.583 4.635 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(C)nc3ccc(Br)cc31)O[C@@H](C)C2 ZINC001361238586 1066579305 /nfs/dbraw/zinc/57/93/05/1066579305.db2.gz RFMPNFIOOXZBMI-AWEZNQCLSA-N 0 0 455.352 4.958 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001361238739 1066579677 /nfs/dbraw/zinc/57/96/77/1066579677.db2.gz XRLCPYZJOSWSDO-DENIHFKCSA-N 0 0 477.613 4.546 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)o1 ZINC001361238798 1066579796 /nfs/dbraw/zinc/57/97/96/1066579796.db2.gz XTJOSHGZGBMILC-MOPGFXCFSA-N 0 0 473.618 4.754 20 0 JJADRN C[C@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456405821 1066579915 /nfs/dbraw/zinc/57/99/15/1066579915.db2.gz WCDUJYRXHTXIJD-OALUTQOASA-N 0 0 452.599 4.746 20 0 JJADRN CN(C)[C@@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(Cl)cc1 ZINC001456407286 1066579931 /nfs/dbraw/zinc/57/99/31/1066579931.db2.gz DDKNUVXKPTYACS-OAHLLOKOSA-N 0 0 451.777 4.862 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cc(Br)c(C)cc2Br)cc1 ZINC001456409891 1066580452 /nfs/dbraw/zinc/58/04/52/1066580452.db2.gz JWIHBCZKIAINSM-UHFFFAOYSA-N 0 0 456.134 4.628 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cc(F)cc(F)c1OC)NC(=O)OC(C)(C)C ZINC001445517329 1066580341 /nfs/dbraw/zinc/58/03/41/1066580341.db2.gz RZUMJVAUIZVAPB-KRWDZBQOSA-N 0 0 450.482 4.967 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001545975940 1066580420 /nfs/dbraw/zinc/58/04/20/1066580420.db2.gz CQHILHJZDBCADS-QGZVFWFLSA-N 0 0 456.315 4.856 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)=NN1c1ccccc1 ZINC001361238994 1066580684 /nfs/dbraw/zinc/58/06/84/1066580684.db2.gz UFYAYTZIVDLCPK-HRFSGMKKSA-N 0 0 455.558 4.975 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1csc(I)c1 ZINC001361238983 1066580848 /nfs/dbraw/zinc/58/08/48/1066580848.db2.gz UCJVYUFJENINKL-UHFFFAOYSA-N 0 0 451.251 4.833 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)C)cc1 ZINC001361239012 1066580889 /nfs/dbraw/zinc/58/08/89/1066580889.db2.gz ZSZWWFTXLPPWDT-INIZCTEOSA-N 0 0 474.428 4.507 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)cc1 ZINC001361239008 1066580915 /nfs/dbraw/zinc/58/09/15/1066580915.db2.gz ZPZYKDKJVJDYPM-GOSISDBHSA-N 0 0 475.565 4.549 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)O[C@@H](C)C2 ZINC001361238954 1066580925 /nfs/dbraw/zinc/58/09/25/1066580925.db2.gz TVYHRBPNSXWOIO-KRWDZBQOSA-N 0 0 454.954 4.978 20 0 JJADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(NCc2ccsc2)cc1 ZINC001445524212 1066581277 /nfs/dbraw/zinc/58/12/77/1066581277.db2.gz ADQMRSIFNLGGFS-UHFFFAOYSA-N 0 0 455.027 4.566 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC001545976197 1066581487 /nfs/dbraw/zinc/58/14/87/1066581487.db2.gz ICJLRHFTEVMPIG-SFHVURJKSA-N 0 0 451.926 4.848 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(=Cc3cc(Cl)ccc3Cl)CC1)C2=O ZINC001445523780 1066581508 /nfs/dbraw/zinc/58/15/08/1066581508.db2.gz GOGOUDFOAUTUGX-OAHLLOKOSA-N 0 0 457.357 4.992 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001361239513 1066581368 /nfs/dbraw/zinc/58/13/68/1066581368.db2.gz HMNYAEVZSOWZAK-GVUKDKGQSA-N 0 0 481.685 4.646 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)C)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361239502 1066581382 /nfs/dbraw/zinc/58/13/82/1066581382.db2.gz HBFZEMCOMHMHHL-RSXGOPAZSA-N 0 0 454.659 4.942 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)cc1 ZINC001361240585 1066582157 /nfs/dbraw/zinc/58/21/57/1066582157.db2.gz UQCHTEBDXURKMP-PKTZIBPZSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)cc1 ZINC001361240586 1066582279 /nfs/dbraw/zinc/58/22/79/1066582279.db2.gz UQCHTEBDXURKMP-XZOQPEGZSA-N 0 0 470.658 4.887 20 0 JJADRN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001445526748 1066582527 /nfs/dbraw/zinc/58/25/27/1066582527.db2.gz MRRODZSMOKQDHJ-SONWIMMPSA-N 0 0 459.055 4.922 20 0 JJADRN COc1ccc([C@H](NC(=O)C(F)(F)c2ccc(OC)cc2)c2ccc(OC)cc2OC)cc1 ZINC001456429865 1066582945 /nfs/dbraw/zinc/58/29/45/1066582945.db2.gz JROLIDLKGCPXMZ-QHCPKHFHSA-N 0 0 457.473 4.719 20 0 JJADRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001445528350 1066583003 /nfs/dbraw/zinc/58/30/03/1066583003.db2.gz FATCXIPMUSJJGX-QFIPXVFZSA-N 0 0 454.567 4.649 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001361241413 1066583171 /nfs/dbraw/zinc/58/31/71/1066583171.db2.gz CVZZAQXQNLDDHQ-OAQYLSRUSA-N 0 0 481.044 4.676 20 0 JJADRN O=C(Cc1ccc(-n2ccnc2)cc1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445531377 1066583744 /nfs/dbraw/zinc/58/37/44/1066583744.db2.gz JTXKIQDSBYRKDI-UHFFFAOYSA-N 0 0 456.731 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2C)o1 ZINC001361241846 1066583680 /nfs/dbraw/zinc/58/36/80/1066583680.db2.gz QWJZEEKFYODSSJ-NRFANRHFSA-N 0 0 465.598 4.809 20 0 JJADRN COc1ccc([C@@H](NC(=O)COc2ccc(F)cc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001456432458 1066583807 /nfs/dbraw/zinc/58/38/07/1066583807.db2.gz PSKBPMUIJZRPFE-XMMPIXPASA-N 0 0 459.901 4.790 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(Oc4cccc(C)c4C)nc3)C2=O)c1 ZINC001456433214 1066584441 /nfs/dbraw/zinc/58/44/41/1066584441.db2.gz UATQDMTZBAEPOH-OAQYLSRUSA-N 0 0 458.518 4.643 20 0 JJADRN Cc1ccccc1C1(C(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001456433582 1066584462 /nfs/dbraw/zinc/58/44/62/1066584462.db2.gz BBRFKSYZXQARIW-NRFANRHFSA-N 0 0 456.627 4.824 20 0 JJADRN CCc1oc2ccccc2c1CC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001456434400 1066584851 /nfs/dbraw/zinc/58/48/51/1066584851.db2.gz JIGQYTWFAOZOMP-UHFFFAOYSA-N 0 0 456.583 4.603 20 0 JJADRN O=C(c1cc(N2CCCC2=O)ccc1Cl)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC001445538523 1066584909 /nfs/dbraw/zinc/58/49/09/1066584909.db2.gz SZSDDFWDJXWKKB-NRFANRHFSA-N 0 0 454.979 4.904 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001545976405 1066584932 /nfs/dbraw/zinc/58/49/32/1066584932.db2.gz NKIRFQNCYBLVKS-SFHVURJKSA-N 0 0 452.404 4.900 20 0 JJADRN CSc1ccc(Cl)c(C(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c1 ZINC001456434370 1066584996 /nfs/dbraw/zinc/58/49/96/1066584996.db2.gz JEYHOMJQAXJSKU-UHFFFAOYSA-N 0 0 455.020 4.740 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001361243576 1066585129 /nfs/dbraw/zinc/58/51/29/1066585129.db2.gz OSCGYOVIHVFTBR-UXHICEINSA-N 0 0 452.521 4.619 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@H]2C)c(C)c1 ZINC001361243239 1066585150 /nfs/dbraw/zinc/58/51/50/1066585150.db2.gz KQUVLLXEJYPDRS-WPYKKVEZSA-N 0 0 483.657 4.681 20 0 JJADRN Cc1nc(CNC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)oc1-c1ccc(Cl)cc1 ZINC001445538321 1066585364 /nfs/dbraw/zinc/58/53/64/1066585364.db2.gz DXZOPPVNBHKYLF-UHFFFAOYSA-N 0 0 456.926 4.954 20 0 JJADRN O=C(NC1CCC(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)CC1)C1CCCC1 ZINC001445542505 1066585838 /nfs/dbraw/zinc/58/58/38/1066585838.db2.gz OBROCFMYKGOVCK-XPPIMPSXSA-N 0 0 454.636 4.676 20 0 JJADRN O=C(CCc1ccc2c(c1)OCCO2)Nc1nc(-c2cc(Br)cs2)cs1 ZINC001456436997 1066585925 /nfs/dbraw/zinc/58/59/25/1066585925.db2.gz CCRMRVMCAHVCAN-UHFFFAOYSA-N 0 0 451.367 4.977 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001456438990 1066586386 /nfs/dbraw/zinc/58/63/86/1066586386.db2.gz ZNUSRRNMIAAGCY-HNNXBMFYSA-N 0 0 451.470 4.548 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)nc1-c1ccc(Cl)cc1 ZINC001445552855 1066587294 /nfs/dbraw/zinc/58/72/94/1066587294.db2.gz RYAPYQFKAHRRBQ-YWZLYKJASA-N 0 0 453.995 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N(Cc3cncs3)Cc3cncs3)c2C1 ZINC001456442140 1066587327 /nfs/dbraw/zinc/58/73/27/1066587327.db2.gz SWXMOOASNUDLJE-UHFFFAOYSA-N 0 0 456.593 4.693 20 0 JJADRN Cc1c(CNC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)oc2ccc(F)cc12 ZINC001456440894 1066587451 /nfs/dbraw/zinc/58/74/51/1066587451.db2.gz AGLKYZMVTVGWLM-UHFFFAOYSA-N 0 0 457.502 4.913 20 0 JJADRN Cc1ccc(F)c(-n2nc(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)c3c2CCC3)c1 ZINC001361245620 1066587533 /nfs/dbraw/zinc/58/75/33/1066587533.db2.gz DQGGYGWADAFDNN-HKBQPEDESA-N 0 0 451.445 4.688 20 0 JJADRN COc1ccc(C2(CNC(=O)c3sc(-c4cnn(C)c4)nc3C)CCCCC2)cc1OC ZINC001456445401 1066587979 /nfs/dbraw/zinc/58/79/79/1066587979.db2.gz KGNSWCSVSIEMEU-UHFFFAOYSA-N 0 0 454.596 4.501 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC001445563716 1066587940 /nfs/dbraw/zinc/58/79/40/1066587940.db2.gz QIEVNGPXJPLTFI-DYESRHJHSA-N 0 0 455.400 4.760 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1Cl ZINC001456446368 1066588409 /nfs/dbraw/zinc/58/84/09/1066588409.db2.gz PEEYETZPRBEZQM-UHFFFAOYSA-N 0 0 450.059 4.637 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2Cc2cc(F)ccc2N2CCOCC2)s1 ZINC001361246921 1066588841 /nfs/dbraw/zinc/58/88/41/1066588841.db2.gz IVLCPPPNXVURAH-UHFFFAOYSA-N 0 0 457.619 4.606 20 0 JJADRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C(F)(F)c1cccc(Br)c1 ZINC001456447185 1066588871 /nfs/dbraw/zinc/58/88/71/1066588871.db2.gz GDTRXECKOJPBLS-UHFFFAOYSA-N 0 0 456.674 4.603 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(C)C)c2)s1 ZINC001361246842 1066588910 /nfs/dbraw/zinc/58/89/10/1066588910.db2.gz FYJPKYWAYDTSGK-UHFFFAOYSA-N 0 0 467.639 4.604 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)ccc1I ZINC001456448331 1066589129 /nfs/dbraw/zinc/58/91/29/1066589129.db2.gz ODWCLYAQPDZGBA-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)C(=O)c1cnn(-c2ccccc2)c1 ZINC001456448624 1066589425 /nfs/dbraw/zinc/58/94/25/1066589425.db2.gz UIIOKWOIZKIKOU-UHFFFAOYSA-N 0 0 459.350 4.641 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3CCCN(c4ccc(F)cc4C)C3)cs2)cc1 ZINC001456448600 1066589502 /nfs/dbraw/zinc/58/95/02/1066589502.db2.gz YUJSTADYJPIBRV-HXUWFJFHSA-N 0 0 453.583 4.806 20 0 JJADRN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001445575874 1066589401 /nfs/dbraw/zinc/58/94/01/1066589401.db2.gz MVEFPXOBXOJLCQ-YLJYHZDGSA-N 0 0 454.596 4.764 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)NCCC(=O)OCc2ccccc2)c2cnn(C(C)C)c2n1 ZINC001445576569 1066589495 /nfs/dbraw/zinc/58/94/95/1066589495.db2.gz WKEQUHRSMKROQH-UHFFFAOYSA-N 0 0 456.546 4.851 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)s1 ZINC001361247301 1066589888 /nfs/dbraw/zinc/58/98/88/1066589888.db2.gz YHVNAJIVCWFTBD-BJLQDIEVSA-N 0 0 489.686 4.606 20 0 JJADRN Cc1cnc([C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)s1 ZINC001361247491 1066589998 /nfs/dbraw/zinc/58/99/98/1066589998.db2.gz FGBKFNGMUGUKKW-NRFANRHFSA-N 0 0 456.589 4.717 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)ccc1Cl ZINC001456449541 1066590005 /nfs/dbraw/zinc/59/00/05/1066590005.db2.gz WRAGMMZJANFOQD-HNNXBMFYSA-N 0 0 450.892 4.869 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC001456449444 1066590065 /nfs/dbraw/zinc/59/00/65/1066590065.db2.gz WFRFXFAHRUQDCU-UHFFFAOYSA-N 0 0 457.935 4.661 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N[C@@H](C)CC(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001445583369 1066590584 /nfs/dbraw/zinc/59/05/84/1066590584.db2.gz GVVOVZZGGCAYAV-RXVVDRJESA-N 0 0 454.567 4.819 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc2)n[nH]1 ZINC001445583310 1066590609 /nfs/dbraw/zinc/59/06/09/1066590609.db2.gz GHWBPWGLKCLCRK-HXUWFJFHSA-N 0 0 458.465 4.993 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)s1 ZINC001445582845 1066590677 /nfs/dbraw/zinc/59/06/77/1066590677.db2.gz KGCJNDATTIFWHL-CXAGYDPISA-N 0 0 455.671 4.773 20 0 JJADRN COc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nc1Br ZINC001361247909 1066590830 /nfs/dbraw/zinc/59/08/30/1066590830.db2.gz OGJUSWHFBCKQIS-GFCCVEGCSA-N 0 0 450.333 4.691 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCc2oc3ccc(F)cc3c2C)CC1 ZINC001456451832 1066590868 /nfs/dbraw/zinc/59/08/68/1066590868.db2.gz VVVQRPXPDWNVBR-UHFFFAOYSA-N 0 0 458.917 4.711 20 0 JJADRN O=C(CCCc1cccnc1)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001456452120 1066590972 /nfs/dbraw/zinc/59/09/72/1066590972.db2.gz MCFWXEFYGMIBRY-UHFFFAOYSA-N 0 0 452.352 4.736 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cnn(C)c2Br)cc1C ZINC001456451675 1066590980 /nfs/dbraw/zinc/59/09/80/1066590980.db2.gz XEBCOLRPPVOACF-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2cc(Cl)c(F)cc2Br)cc1 ZINC001456452127 1066591011 /nfs/dbraw/zinc/59/10/11/1066591011.db2.gz MSQJYGSEAYCFFT-UHFFFAOYSA-N 0 0 458.711 4.504 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584571 1066591093 /nfs/dbraw/zinc/59/10/93/1066591093.db2.gz NQCWIZWJNYRUPA-GOTSBHOMSA-N 0 0 456.608 4.524 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001456452705 1066591334 /nfs/dbraw/zinc/59/13/34/1066591334.db2.gz RLYHMDFUVKNMQI-UYRXBGFRSA-N 0 0 455.860 4.934 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001456452703 1066591445 /nfs/dbraw/zinc/59/14/45/1066591445.db2.gz RLYHMDFUVKNMQI-CPNJWEJPSA-N 0 0 455.860 4.934 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586596 1066591519 /nfs/dbraw/zinc/59/15/19/1066591519.db2.gz VZTCOZMDNMDVLY-XZOQPEGZSA-N 0 0 456.608 4.524 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)o1 ZINC001361248281 1066591864 /nfs/dbraw/zinc/59/18/64/1066591864.db2.gz JHYWDJTWOTWLRS-WIYYLYMNSA-N 0 0 474.989 4.642 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)o1 ZINC001361248319 1066591926 /nfs/dbraw/zinc/59/19/26/1066591926.db2.gz JUVBTWIKBKHLBC-GOSISDBHSA-N 0 0 474.989 4.541 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC(F)(F)C2)s1 ZINC001361248505 1066592258 /nfs/dbraw/zinc/59/22/58/1066592258.db2.gz MHSFLTHIHQGNIB-DYESRHJHSA-N 0 0 454.587 4.760 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361248780 1066592280 /nfs/dbraw/zinc/59/22/80/1066592280.db2.gz QXZXDGWVPJNROM-SFHVURJKSA-N 0 0 464.545 4.604 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(F)(F)C2)s1 ZINC001361248506 1066592308 /nfs/dbraw/zinc/59/23/08/1066592308.db2.gz MHSFLTHIHQGNIB-LAUBAEHRSA-N 0 0 454.587 4.760 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(C(F)F)n1 ZINC001456463181 1066592301 /nfs/dbraw/zinc/59/23/01/1066592301.db2.gz NXCCLOOCUNSIOY-UHFFFAOYSA-N 0 0 456.896 4.760 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)s2)o1 ZINC001361249041 1066592659 /nfs/dbraw/zinc/59/26/59/1066592659.db2.gz YMSUKXJVHNPRRP-SFHVURJKSA-N 0 0 466.611 4.975 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)o1 ZINC001361248978 1066592671 /nfs/dbraw/zinc/59/26/71/1066592671.db2.gz XCBPNKJOBBJFPI-CEYNDMKZSA-N 0 0 489.016 4.766 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361248887 1066592689 /nfs/dbraw/zinc/59/26/89/1066592689.db2.gz VGXBQQDNVDCNSN-QFQXNSOFSA-N 0 0 468.598 4.632 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)n[nH]1 ZINC001445590525 1066592726 /nfs/dbraw/zinc/59/27/26/1066592726.db2.gz SOQWHBIFBOYVFB-IIBYNOLFSA-N 0 0 459.333 4.975 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)n[nH]1 ZINC001445590514 1066592759 /nfs/dbraw/zinc/59/27/59/1066592759.db2.gz SOQWHBIFBOYVFB-HRAATJIYSA-N 0 0 459.333 4.975 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCC2 ZINC001445593491 1066593127 /nfs/dbraw/zinc/59/31/27/1066593127.db2.gz KWXJGMMWDVBOBT-ODAXIHTASA-N 0 0 456.627 4.518 20 0 JJADRN O=C(N[C@H](CCCCc1ccccc1)c1ccccc1)c1c[nH]nc1I ZINC001445591409 1066593170 /nfs/dbraw/zinc/59/31/70/1066593170.db2.gz MONUIJBUFDMVKF-LJQANCHMSA-N 0 0 459.331 4.898 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)cc2)n[nH]1 ZINC001445591720 1066593203 /nfs/dbraw/zinc/59/32/03/1066593203.db2.gz VZYDTNAFPGYMFD-UHFFFAOYSA-N 0 0 454.280 4.940 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC001361249508 1066593258 /nfs/dbraw/zinc/59/32/58/1066593258.db2.gz RXFVJVJBBLXPCW-UNMCSNQZSA-N 0 0 455.484 4.764 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)s1 ZINC001361249717 1066593658 /nfs/dbraw/zinc/59/36/58/1066593658.db2.gz CIDJFILIVPCMPO-VWLOTQADSA-N 0 0 454.640 4.958 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001456474898 1066593797 /nfs/dbraw/zinc/59/37/97/1066593797.db2.gz HWMLNAFQISFSRE-QZTJIDSGSA-N 0 0 457.527 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NCC3CCC(C(C)(C)C)CC3)ccn2)CC1 ZINC001445601911 1066594239 /nfs/dbraw/zinc/59/42/39/1066594239.db2.gz SUCBVNGXNWWGJJ-UHFFFAOYSA-N 0 0 458.647 4.721 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@H](C)c3ccc(Br)cc3)C2)c1 ZINC001456477709 1066594170 /nfs/dbraw/zinc/59/41/70/1066594170.db2.gz FPPHNSSIRXERIQ-PKOBYXMFSA-N 0 0 458.400 4.921 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361249823 1066594474 /nfs/dbraw/zinc/59/44/74/1066594474.db2.gz GWGWLFVAVNDWRW-UHFFFAOYSA-N 0 0 481.398 4.755 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCO2)o1 ZINC001361249837 1066594616 /nfs/dbraw/zinc/59/46/16/1066594616.db2.gz HIMDXBOXALCHET-INIZCTEOSA-N 0 0 463.351 4.954 20 0 JJADRN COc1cc(CN2CC[C@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610046 1066594490 /nfs/dbraw/zinc/59/44/90/1066594490.db2.gz DCLVVPAVYZWNTD-QFIPXVFZSA-N 0 0 457.014 4.851 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCO[C@@H]2CCCC[C@@H]2C)s1 ZINC001361249973 1066595052 /nfs/dbraw/zinc/59/50/52/1066595052.db2.gz MKGIXJQAFZTJSS-SWHJIRTISA-N 0 0 476.687 4.920 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCO[C@H]2CCCC[C@@H]2C)s1 ZINC001361249971 1066595226 /nfs/dbraw/zinc/59/52/26/1066595226.db2.gz MKGIXJQAFZTJSS-JTJYXVOQSA-N 0 0 476.687 4.920 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)c1ccccc1 ZINC001445614817 1066595279 /nfs/dbraw/zinc/59/52/79/1066595279.db2.gz VKXJXGRSSWMYHF-JWQCQUIFSA-N 0 0 457.574 4.696 20 0 JJADRN O=C(NCC1(CCO)CCCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001445610383 1066595455 /nfs/dbraw/zinc/59/54/55/1066595455.db2.gz IVLVZMVCBIDMDZ-UHFFFAOYSA-N 0 0 454.368 4.732 20 0 JJADRN Cn1ccnc1C[C@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001445630481 1066595804 /nfs/dbraw/zinc/59/58/04/1066595804.db2.gz PYHWVDRTEUTWTI-CQSZACIVSA-N 0 0 458.322 4.615 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CCCS2)o1 ZINC001361250002 1066595896 /nfs/dbraw/zinc/59/58/96/1066595896.db2.gz NJDWDLDZCKJYJA-LJQANCHMSA-N 0 0 450.406 4.859 20 0 JJADRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001445630921 1066596272 /nfs/dbraw/zinc/59/62/72/1066596272.db2.gz XQXLVACCOULNJG-QTGUNEKASA-N 0 0 468.569 4.629 20 0 JJADRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001445630747 1066596442 /nfs/dbraw/zinc/59/64/42/1066596442.db2.gz MKXDDQIOJBGOIT-UHFFFAOYSA-N 0 0 453.470 4.581 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2nc(C)c(C)s2)o1 ZINC001361250327 1066596686 /nfs/dbraw/zinc/59/66/86/1066596686.db2.gz VUNASOQQTNKGLN-UHFFFAOYSA-N 0 0 475.416 4.890 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)Nc1cccc3c1CCN(C(=O)OC(C)(C)C)C3)=C2 ZINC001456489763 1066597167 /nfs/dbraw/zinc/59/71/67/1066597167.db2.gz INKSQYLYKDAYJG-UHFFFAOYSA-N 0 0 450.535 4.793 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CC1=O ZINC001361250720 1066597327 /nfs/dbraw/zinc/59/73/27/1066597327.db2.gz OCXREMFAEABOIM-ICSRJNTNSA-N 0 0 456.546 4.839 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)o1 ZINC001361251062 1066597737 /nfs/dbraw/zinc/59/77/37/1066597737.db2.gz HGJGVNSFRIAQPF-QHCPKHFHSA-N 0 0 479.625 4.823 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)c1cccc(NCc2ccccn2)c1 ZINC001456491069 1066597759 /nfs/dbraw/zinc/59/77/59/1066597759.db2.gz ZMJKTPDKYQKOPW-IBVKSMDESA-N 0 0 450.583 4.603 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H](C)Oc1ccccc1 ZINC001456491585 1066597958 /nfs/dbraw/zinc/59/79/58/1066597958.db2.gz JCBNJIVTYASTNS-IAGOWNOFSA-N 0 0 451.348 4.834 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1O ZINC001445644255 1066598031 /nfs/dbraw/zinc/59/80/31/1066598031.db2.gz GBVDXAGRMXIGRQ-HOFKKMOUSA-N 0 0 458.558 4.539 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)CCOCC2)cc1C ZINC001456492055 1066598269 /nfs/dbraw/zinc/59/82/69/1066598269.db2.gz UHKMIEUVLZLVBP-UHFFFAOYSA-N 0 0 459.508 4.890 20 0 JJADRN C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456492606 1066598427 /nfs/dbraw/zinc/59/84/27/1066598427.db2.gz MQNJSMJWHUKXRU-APWZRJJASA-N 0 0 455.274 4.747 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 ZINC001546082814 1066598528 /nfs/dbraw/zinc/59/85/28/1066598528.db2.gz DGHISQORZVYJPC-XERREHJYSA-N 0 0 451.384 4.851 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001456493830 1066598885 /nfs/dbraw/zinc/59/88/85/1066598885.db2.gz OWNQNMNRYWIXFQ-RUZDIDTESA-N 0 0 458.578 4.559 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001456494389 1066599068 /nfs/dbraw/zinc/59/90/68/1066599068.db2.gz XPKIMWMVOXJTEC-QGZVFWFLSA-N 0 0 452.780 4.520 20 0 JJADRN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC001445658087 1066599122 /nfs/dbraw/zinc/59/91/22/1066599122.db2.gz VANPTXRSIMPXOV-UHFFFAOYSA-N 0 0 459.365 4.860 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(OCC(F)(F)F)nc3)s2)cc1 ZINC001456495979 1066599524 /nfs/dbraw/zinc/59/95/24/1066599524.db2.gz BEVAWRLBWOYCCZ-LBPRGKRZSA-N 0 0 451.470 4.954 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)CCCCOc3ccc(Br)cc3)c2)n1 ZINC001361251950 1066599709 /nfs/dbraw/zinc/59/97/09/1066599709.db2.gz LQKITHHKIUUEQI-UHFFFAOYSA-N 0 0 457.372 4.894 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@@H](O)c3ccc(OC(C)C)cc3)c12 ZINC001445672683 1066599938 /nfs/dbraw/zinc/59/99/38/1066599938.db2.gz ATGIUAJGKFHOBP-JOCHJYFZSA-N 0 0 452.599 4.869 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)s1 ZINC001361252356 1066600008 /nfs/dbraw/zinc/60/00/08/1066600008.db2.gz JONAOYHQDKTHLO-QHCPKHFHSA-N 0 0 453.999 4.908 20 0 JJADRN CCOc1nc(C)ccc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456497607 1066600395 /nfs/dbraw/zinc/60/03/95/1066600395.db2.gz WXBXYAYOOSONBY-UHFFFAOYSA-N 0 0 457.452 4.990 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)nnn1-c1ccccc1Br ZINC001361252691 1066600461 /nfs/dbraw/zinc/60/04/61/1066600461.db2.gz JTNTXLFGGCCYHA-LLVKDONJSA-N 0 0 453.262 4.848 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)Oc2ccccc2)c(OC)c1 ZINC001456498648 1066601006 /nfs/dbraw/zinc/60/10/06/1066601006.db2.gz VBYONYUTMXBNNV-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@H](CC3CC3)c3ccccc3)n2)cc(Cl)c1OC ZINC001456498245 1066601016 /nfs/dbraw/zinc/60/10/16/1066601016.db2.gz HAPSUKAZEPMWRB-LJQANCHMSA-N 0 0 455.942 4.997 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC001445679243 1066601014 /nfs/dbraw/zinc/60/10/14/1066601014.db2.gz NFWWMOPUQAHYSY-OTYXRUKQSA-N 0 0 451.119 4.512 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001445679247 1066601162 /nfs/dbraw/zinc/60/11/62/1066601162.db2.gz NFWWMOPUQAHYSY-YMTOWFKASA-N 0 0 451.119 4.512 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001456499763 1066601669 /nfs/dbraw/zinc/60/16/69/1066601669.db2.gz DVXMDSHKZWFFOS-CVDCTZTESA-N 0 0 451.364 4.964 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(NCc2nccn2C)cc1 ZINC001445680637 1066601808 /nfs/dbraw/zinc/60/18/08/1066601808.db2.gz RLAQKPCXBJDEMU-HXUWFJFHSA-N 0 0 455.006 4.824 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3c[nH]c4ccccc34)n2CCCN(C)CC(F)(F)F)o1 ZINC001361254294 1066602563 /nfs/dbraw/zinc/60/25/63/1066602563.db2.gz IOFSFAHBXVGRAX-UHFFFAOYSA-N 0 0 460.504 4.848 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)C2)cc(OC)c1 ZINC001445682446 1066602572 /nfs/dbraw/zinc/60/25/72/1066602572.db2.gz AYJWOVNGNKWWMQ-HNNXBMFYSA-N 0 0 459.518 4.822 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361255345 1066602879 /nfs/dbraw/zinc/60/28/79/1066602879.db2.gz VPHWCRCYILKUEZ-NHCUHLMSSA-N 0 0 459.541 4.639 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361255344 1066602931 /nfs/dbraw/zinc/60/29/31/1066602931.db2.gz VPHWCRCYILKUEZ-LEWJYISDSA-N 0 0 459.541 4.639 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2ccccc2)o1 ZINC001361254968 1066603103 /nfs/dbraw/zinc/60/31/03/1066603103.db2.gz FLZOTVLZNUUTBK-HSZRJFAPSA-N 0 0 495.624 4.757 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)Nc3ccc(CCn4cc(Br)cn4)cc3)c2)n1 ZINC001456503709 1066603802 /nfs/dbraw/zinc/60/38/02/1066603802.db2.gz FQGAGBZNXIDVOA-UHFFFAOYSA-N 0 0 450.340 4.635 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCc2ccccc21 ZINC001456503924 1066604151 /nfs/dbraw/zinc/60/41/51/1066604151.db2.gz GGZSISROSNEOSN-LJQANCHMSA-N 0 0 456.258 4.603 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001445689253 1066604251 /nfs/dbraw/zinc/60/42/51/1066604251.db2.gz PKTPQRPRAFYOTG-ISKFKSNPSA-N 0 0 451.469 4.525 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(Nc4nc(C)cs4)cc3)C2)cc(OC)c1 ZINC001445691122 1066604262 /nfs/dbraw/zinc/60/42/62/1066604262.db2.gz PVGWHOYJGGPMSL-LJQANCHMSA-N 0 0 452.580 4.929 20 0 JJADRN CCOc1c(Cl)cc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1OC ZINC001445692273 1066604991 /nfs/dbraw/zinc/60/49/91/1066604991.db2.gz VDEAPRZPJFUWOA-JOCHJYFZSA-N 0 0 455.938 4.790 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001361256456 1066605010 /nfs/dbraw/zinc/60/50/10/1066605010.db2.gz CGUCRYXHDHISMZ-ZDUSSCGKSA-N 0 0 456.867 4.722 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(F)c(F)c2F)c2ccc(Cl)cc2)c1 ZINC001361256671 1066605016 /nfs/dbraw/zinc/60/50/16/1066605016.db2.gz FMSYVYPLXHNQNT-HXUWFJFHSA-N 0 0 453.869 4.680 20 0 JJADRN O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456507415 1066605051 /nfs/dbraw/zinc/60/50/51/1066605051.db2.gz OOJZQYFPYODADV-QFIPXVFZSA-N 0 0 454.368 4.921 20 0 JJADRN CCOc1c(Cl)cc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1OC ZINC001445692274 1066605055 /nfs/dbraw/zinc/60/50/55/1066605055.db2.gz VDEAPRZPJFUWOA-QFIPXVFZSA-N 0 0 455.938 4.790 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3cc4cc(Br)ccc4[nH]3)C2)cc(OC)c1 ZINC001445692368 1066605127 /nfs/dbraw/zinc/60/51/27/1066605127.db2.gz RBTJJDJTADQHNX-INIZCTEOSA-N 0 0 458.356 4.664 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CCCC2)s1 ZINC001361257522 1066605676 /nfs/dbraw/zinc/60/56/76/1066605676.db2.gz BEXBIDOJAPVGEF-UHFFFAOYSA-N 0 0 472.680 4.541 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)Cc2cc3ccccc3o2)c2ccc(Cl)cc2)c1 ZINC001361257330 1066605690 /nfs/dbraw/zinc/60/56/90/1066605690.db2.gz MCXWOZBNNOPGLN-XMMPIXPASA-N 0 0 453.947 4.938 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)[nH]n2)c1C ZINC001445695764 1066605771 /nfs/dbraw/zinc/60/57/71/1066605771.db2.gz DULBILJKGNXDNW-KNQAVFIVSA-N 0 0 453.587 4.792 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001445699398 1066606418 /nfs/dbraw/zinc/60/64/18/1066606418.db2.gz ALDARUKXQRRGCB-IBGZPJMESA-N 0 0 450.362 4.816 20 0 JJADRN CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)cc1 ZINC001445699339 1066606450 /nfs/dbraw/zinc/60/64/50/1066606450.db2.gz AATKVYRMYWGJIL-SFHVURJKSA-N 0 0 451.748 4.834 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc(-c2ccc(F)cc2)no1 ZINC001456511100 1066606904 /nfs/dbraw/zinc/60/69/04/1066606904.db2.gz YNRMPRLCBROAEF-UHFFFAOYSA-N 0 0 455.287 4.935 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456511313 1066606984 /nfs/dbraw/zinc/60/69/84/1066606984.db2.gz GKRRWOMIRMAQHP-GUDVDZBRSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)s1 ZINC001361258108 1066607096 /nfs/dbraw/zinc/60/70/96/1066607096.db2.gz ONLQPNVXLGNAQX-UHFFFAOYSA-N 0 0 457.591 4.643 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)cc1 ZINC001445705077 1066607555 /nfs/dbraw/zinc/60/75/55/1066607555.db2.gz TVIZPECTPBOPGE-OPAMFIHVSA-N 0 0 458.990 4.658 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361258348 1066607623 /nfs/dbraw/zinc/60/76/23/1066607623.db2.gz SZHYRJUJEPDWEP-VWLOTQADSA-N 0 0 452.530 4.663 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001361258512 1066608512 /nfs/dbraw/zinc/60/85/12/1066608512.db2.gz WJCWPUZCHMCFHL-FQEVSTJZSA-N 0 0 496.681 4.917 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)cc1 ZINC001445709199 1066608493 /nfs/dbraw/zinc/60/84/93/1066608493.db2.gz ZZTWLMJRXLWSNG-IRXDYDNUSA-N 0 0 457.596 4.705 20 0 JJADRN CC[C@H](C)n1nc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1C ZINC001456513425 1066608580 /nfs/dbraw/zinc/60/85/80/1066608580.db2.gz BVJAUQUQBKACBX-IBGZPJMESA-N 0 0 454.615 4.861 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC(F)(F)F)cc1 ZINC001445708580 1066608582 /nfs/dbraw/zinc/60/85/82/1066608582.db2.gz GRDZXACJYJXEQD-GFCCVEGCSA-N 0 0 453.770 4.661 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361258928 1066609078 /nfs/dbraw/zinc/60/90/78/1066609078.db2.gz JWAWRJNIAYUFCF-UHFFFAOYSA-N 0 0 457.456 4.591 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(F)c2)s1 ZINC001361258830 1066609090 /nfs/dbraw/zinc/60/90/90/1066609090.db2.gz GCGPCLWJXKEUIV-UHFFFAOYSA-N 0 0 455.534 4.627 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CCc2nccc(C(F)(F)F)n2)s1 ZINC001361258725 1066609105 /nfs/dbraw/zinc/60/91/05/1066609105.db2.gz BQYOKNHQGCQKIX-UHFFFAOYSA-N 0 0 493.584 4.692 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1sc2ccccc2c1Br)c1noc(C)n1 ZINC001456515461 1066609131 /nfs/dbraw/zinc/60/91/31/1066609131.db2.gz DAJYFVRZHDUYQY-KRWDZBQOSA-N 0 0 458.337 4.883 20 0 JJADRN CC(C)Nc1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cn1 ZINC001456516579 1066609139 /nfs/dbraw/zinc/60/91/39/1066609139.db2.gz JGTLEPXSEBJAFG-UHFFFAOYSA-N 0 0 452.599 4.601 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC(=O)N(C)C2CCCCC2)s1 ZINC001361259133 1066609733 /nfs/dbraw/zinc/60/97/33/1066609733.db2.gz RLAYZFLNYMGREQ-UHFFFAOYSA-N 0 0 457.669 4.728 20 0 JJADRN CC1(C)C[C@H](C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccccc2O1 ZINC001445715802 1066609833 /nfs/dbraw/zinc/60/98/33/1066609833.db2.gz XZCZMYNRNAFOBJ-ZBFHGGJFSA-N 0 0 453.892 4.794 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(OC)cc3OCCC(C)C)CC2)c1 ZINC001445716426 1066609905 /nfs/dbraw/zinc/60/99/05/1066609905.db2.gz VEEURAGWWHZJBH-UHFFFAOYSA-N 0 0 454.567 4.623 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)CC2)c1 ZINC001445715995 1066609931 /nfs/dbraw/zinc/60/99/31/1066609931.db2.gz PVLZIRFQVPDKJU-UHFFFAOYSA-N 0 0 456.542 4.729 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(C)C)nc2)s1 ZINC001361260942 1066610424 /nfs/dbraw/zinc/61/04/24/1066610424.db2.gz BJEBGJXYLAVLER-UHFFFAOYSA-N 0 0 496.662 4.506 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1 ZINC001456518827 1066610434 /nfs/dbraw/zinc/61/04/34/1066610434.db2.gz RDRZNVNMJAMANO-BJKOFHAPSA-N 0 0 464.606 4.884 20 0 JJADRN Cc1cccc(OCCC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1 ZINC001456518377 1066610510 /nfs/dbraw/zinc/61/05/10/1066610510.db2.gz QNDMVMJOTHOLRB-UHFFFAOYSA-N 0 0 452.595 4.849 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC001456520577 1066611200 /nfs/dbraw/zinc/61/12/00/1066611200.db2.gz ZXLNCZFZHHULGA-JOCHJYFZSA-N 0 0 452.620 4.789 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)s1 ZINC001361261088 1066611641 /nfs/dbraw/zinc/61/16/41/1066611641.db2.gz GYPPLCCYFYNNKD-RTBURBONSA-N 0 0 463.648 4.685 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnc(C)s2)o1 ZINC001361261019 1066611696 /nfs/dbraw/zinc/61/16/96/1066611696.db2.gz DTBHPKIZCPKAIL-IBGZPJMESA-N 0 0 472.615 4.701 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)c2)cn1 ZINC001456521812 1066612307 /nfs/dbraw/zinc/61/23/07/1066612307.db2.gz PURGEIWAUFMTPF-GMAHTHKFSA-N 0 0 453.583 4.782 20 0 JJADRN O=C(NC[C@@H](O)c1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445729610 1066612452 /nfs/dbraw/zinc/61/24/52/1066612452.db2.gz ZUPBCEFHZDLHQW-FCHUYYIVSA-N 0 0 457.357 4.601 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445729544 1066612464 /nfs/dbraw/zinc/61/24/64/1066612464.db2.gz ZMTNCBMWPQILTK-JOCHJYFZSA-N 0 0 450.336 4.560 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445740990 1066613766 /nfs/dbraw/zinc/61/37/66/1066613766.db2.gz JONSJWYEJAHDPX-OLZOCXBDSA-N 0 0 450.284 4.747 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccnc2)C(C)C)o1 ZINC001361261632 1066614094 /nfs/dbraw/zinc/61/40/94/1066614094.db2.gz VJUBWJBCXFCLHI-NRFANRHFSA-N 0 0 478.622 4.642 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456530671 1066614933 /nfs/dbraw/zinc/61/49/33/1066614933.db2.gz PKLQXSHUBGGXNZ-OALUTQOASA-N 0 0 451.405 4.676 20 0 JJADRN O=C(NC[C@H](O)C1CCCCC1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001445775875 1066615195 /nfs/dbraw/zinc/61/51/95/1066615195.db2.gz FQQYQIRVTCDXNE-FQEVSTJZSA-N 0 0 458.484 4.624 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC[C@H]1c1ccc(C)o1 ZINC001456532617 1066615552 /nfs/dbraw/zinc/61/55/52/1066615552.db2.gz DEVPORFTDDTXHM-VQTJNVASSA-N 0 0 450.495 4.779 20 0 JJADRN CCc1ccc(-c2nc(C(=O)NC[C@H](O)COc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC001445779272 1066615974 /nfs/dbraw/zinc/61/59/74/1066615974.db2.gz HNMVQVAJXXQUNC-KRWDZBQOSA-N 0 0 450.482 4.561 20 0 JJADRN Cc1ccccc1-c1nc(CNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)no1 ZINC001445778638 1066615992 /nfs/dbraw/zinc/61/59/92/1066615992.db2.gz NLLGYOQKIVMKBG-UHFFFAOYSA-N 0 0 454.412 4.527 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1C ZINC001361262746 1066616173 /nfs/dbraw/zinc/61/61/73/1066616173.db2.gz WYZMGOZXEVTEFI-DEOSSOPVSA-N 0 0 455.558 4.746 20 0 JJADRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c1Br ZINC001456534166 1066616244 /nfs/dbraw/zinc/61/62/44/1066616244.db2.gz ZNJZSARJWWPOEK-AWEZNQCLSA-N 0 0 455.194 4.905 20 0 JJADRN Cc1ccc(CNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(OC[C@H]2CCCO2)c1 ZINC001445784554 1066616661 /nfs/dbraw/zinc/61/66/61/1066616661.db2.gz KGQPOVHQQDXCIS-JIPXPUAJSA-N 0 0 453.579 4.584 20 0 JJADRN CC[C@](C)(NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1nc(C)cs1 ZINC001456536352 1066616763 /nfs/dbraw/zinc/61/67/63/1066616763.db2.gz QIUTUAKWVFEQRK-KRWDZBQOSA-N 0 0 454.781 4.503 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c(OCC2CC2)c1 ZINC001361264695 1066617438 /nfs/dbraw/zinc/61/74/38/1066617438.db2.gz REMUDEJQDICLNG-SFHVURJKSA-N 0 0 465.564 4.620 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)(F)C2)s1 ZINC001361264123 1066617478 /nfs/dbraw/zinc/61/74/78/1066617478.db2.gz ZBLYNRORQGAPSP-UHFFFAOYSA-N 0 0 479.984 4.761 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)C12CCC2 ZINC001456537341 1066617472 /nfs/dbraw/zinc/61/74/72/1066617472.db2.gz VLCHEGNQKRPEFA-DLBZAZTESA-N 0 0 451.386 4.659 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(F)n3)ccc2C)cc1 ZINC001545978426 1066617556 /nfs/dbraw/zinc/61/75/56/1066617556.db2.gz CWWPKGJCWNKYMN-UHFFFAOYSA-N 0 0 455.555 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC001456537975 1066618016 /nfs/dbraw/zinc/61/80/16/1066618016.db2.gz BHDXRVVDHAIUNE-VJBMBRPKSA-N 0 0 454.611 4.924 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1Br ZINC001456537938 1066618074 /nfs/dbraw/zinc/61/80/74/1066618074.db2.gz YUZSEXZFWHEBGF-UHFFFAOYSA-N 0 0 451.299 4.766 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc(S(=O)(=O)N(C)C)c1C ZINC001361265537 1066617991 /nfs/dbraw/zinc/61/79/91/1066617991.db2.gz BXHCOYZIFSGUNS-UHFFFAOYSA-N 0 0 454.596 4.730 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCC2(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001456538588 1066618570 /nfs/dbraw/zinc/61/85/70/1066618570.db2.gz XVXNVIPKRNUMGX-ZWKOTPCHSA-N 0 0 451.405 4.633 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)cn1 ZINC001361267261 1066619234 /nfs/dbraw/zinc/61/92/34/1066619234.db2.gz LCZCESVFQCACDC-LJQANCHMSA-N 0 0 497.043 4.518 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C)C2)cn1 ZINC001361266768 1066619338 /nfs/dbraw/zinc/61/93/38/1066619338.db2.gz FSRZLGGUQMYHKW-RBUKOAKNSA-N 0 0 455.990 4.665 20 0 JJADRN Cc1nc(CCn2c(-c3cccn3C)nnc2N(C)CCCOc2ccccc2C)sc1C ZINC001492598282 1066619355 /nfs/dbraw/zinc/61/93/55/1066619355.db2.gz JHTBPQJAMNWNIE-UHFFFAOYSA-N 0 0 464.639 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC001456539801 1066619265 /nfs/dbraw/zinc/61/92/65/1066619265.db2.gz PDFJUXVJXFVYSA-JWQCQUIFSA-N 0 0 476.617 4.834 20 0 JJADRN CC1=NN(c2ccc(C(=O)Nc3cc(Br)cnc3OCC(F)(F)F)cc2)CC1 ZINC001456539818 1066619350 /nfs/dbraw/zinc/61/93/50/1066619350.db2.gz PQLUXOLGSNJBRI-UHFFFAOYSA-N 0 0 457.250 4.624 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445795333 1066619349 /nfs/dbraw/zinc/61/93/49/1066619349.db2.gz FXTNFVOQHIUHOQ-VMRPVKRXSA-N 0 0 451.394 4.685 20 0 JJADRN C[C@H](CC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445795439 1066619389 /nfs/dbraw/zinc/61/93/89/1066619389.db2.gz GESACJDKRMBMOJ-VTJXTGGHSA-N 0 0 456.986 4.691 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)[C@@H](O)c1c(F)cccc1F ZINC001445798481 1066619961 /nfs/dbraw/zinc/61/99/61/1066619961.db2.gz GLTCUIDNIHXOQV-XMSQKQJNSA-N 0 0 455.461 4.928 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001361267712 1066620015 /nfs/dbraw/zinc/62/00/15/1066620015.db2.gz CDVYWSWRJQSQKX-LJQANCHMSA-N 0 0 499.457 4.524 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3C[C@@]3(C)c3cccc(Br)c3)CC2)cc1 ZINC001456540628 1066620044 /nfs/dbraw/zinc/62/00/44/1066620044.db2.gz VKZRZDVYDSEFRU-URXFXBBRSA-N 0 0 456.380 4.857 20 0 JJADRN C[C@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](O)c1c(F)cccc1Cl ZINC001445805764 1066621292 /nfs/dbraw/zinc/62/12/92/1066621292.db2.gz PFXWOYQSSRNFNT-JBZDTAIVSA-N 0 0 459.867 4.685 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445807296 1066621351 /nfs/dbraw/zinc/62/13/51/1066621351.db2.gz DTXRJBZYHNXTPK-OAFILTFASA-N 0 0 457.398 4.591 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccc(COCc3ccccc3)cc2)CCCOC1 ZINC001456544134 1066621435 /nfs/dbraw/zinc/62/14/35/1066621435.db2.gz QPRJVGIRBHROBJ-AREMUKBSSA-N 0 0 454.567 4.663 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001361268556 1066621816 /nfs/dbraw/zinc/62/18/16/1066621816.db2.gz UJNOJTPMQGEVLX-MRXNPFEDSA-N 0 0 483.535 4.660 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(C)c1 ZINC001361268797 1066621824 /nfs/dbraw/zinc/62/18/24/1066621824.db2.gz QBTHPRVFKRBEQB-OAQYLSRUSA-N 0 0 486.458 4.963 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)C2)s1 ZINC001456547426 1066621878 /nfs/dbraw/zinc/62/18/78/1066621878.db2.gz HYBOOTCLGNVCPY-QGZVFWFLSA-N 0 0 456.951 4.792 20 0 JJADRN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1C(F)(F)F ZINC001456547232 1066621903 /nfs/dbraw/zinc/62/19/03/1066621903.db2.gz BVEACJDUKOOIPI-QGZVFWFLSA-N 0 0 456.505 4.550 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)nc1 ZINC001361268565 1066621950 /nfs/dbraw/zinc/62/19/50/1066621950.db2.gz UKCGPWCIJDEEFO-LJQANCHMSA-N 0 0 480.016 4.810 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOCC2CC2)c(C)c1 ZINC001361268823 1066622502 /nfs/dbraw/zinc/62/25/02/1066622502.db2.gz RECPXRPLCMADJT-UHFFFAOYSA-N 0 0 458.404 4.564 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)cn1 ZINC001361269017 1066622529 /nfs/dbraw/zinc/62/25/29/1066622529.db2.gz ZGBIEHXVKUJISJ-AVRDEDQJSA-N 0 0 455.603 4.887 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001361269044 1066622539 /nfs/dbraw/zinc/62/25/39/1066622539.db2.gz ZZRGAJUFQQNYCJ-SLFFLAALSA-N 0 0 490.695 4.711 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2sc(C)nc2C)CCO1 ZINC001546083221 1066622679 /nfs/dbraw/zinc/62/26/79/1066622679.db2.gz KSIVMBNXQYQEFX-OSPHWJPCSA-N 0 0 473.618 4.879 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[C@@H](O)c1c(F)cccc1Cl ZINC001445819214 1066622925 /nfs/dbraw/zinc/62/29/25/1066622925.db2.gz ZKUKZHSOYWVQOH-NPMXOYFQSA-N 0 0 450.901 4.579 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[C@H](O)c1c(F)cccc1Cl ZINC001445819222 1066622953 /nfs/dbraw/zinc/62/29/53/1066622953.db2.gz ZKUKZHSOYWVQOH-WNSKOXEYSA-N 0 0 450.901 4.579 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ncccc3Br)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361269761 1066623717 /nfs/dbraw/zinc/62/37/17/1066623717.db2.gz CSRVWRPPVKTWAQ-VXGBXAGGSA-N 0 0 458.278 4.729 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)CCc3cccc4c3OCO4)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361269757 1066623849 /nfs/dbraw/zinc/62/38/49/1066623849.db2.gz CSRLBBALICMOTG-GJZGRUSLSA-N 0 0 450.457 4.619 20 0 JJADRN C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H](O)c1c(F)cccc1Cl ZINC001445820544 1066623846 /nfs/dbraw/zinc/62/38/46/1066623846.db2.gz ZXUKGQDPFVDAQR-SPHRHWQCSA-N 0 0 458.608 4.650 20 0 JJADRN CC(C)(C)OC(=O)NOCC(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001456557429 1066624321 /nfs/dbraw/zinc/62/43/21/1066624321.db2.gz YEELSUJFJZDPDZ-UHFFFAOYSA-N 0 0 450.919 4.583 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001361270855 1066624314 /nfs/dbraw/zinc/62/43/14/1066624314.db2.gz OMIYTINRZPONHS-JRFVFWCSSA-N 0 0 450.579 4.837 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC001445833397 1066624877 /nfs/dbraw/zinc/62/48/77/1066624877.db2.gz ZHQMUQZXXGVXRS-HNNXBMFYSA-N 0 0 451.386 4.917 20 0 JJADRN COCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cc1 ZINC001456559864 1066624805 /nfs/dbraw/zinc/62/48/05/1066624805.db2.gz MDGZPPVFEBRTLP-UHFFFAOYSA-N 0 0 458.356 4.919 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1cc(F)ccc1F ZINC001456560567 1066624936 /nfs/dbraw/zinc/62/49/36/1066624936.db2.gz BNRHRZDBSBTSRL-QMHKHESXSA-N 0 0 458.530 4.885 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001445846287 1066625448 /nfs/dbraw/zinc/62/54/48/1066625448.db2.gz ARNHNOQHYNUSDW-UHFFFAOYSA-N 0 0 452.551 4.580 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 ZINC001456561896 1066625544 /nfs/dbraw/zinc/62/55/44/1066625544.db2.gz OCWPKJJAFHXRSH-HXUWFJFHSA-N 0 0 453.589 4.700 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1cccc(F)c1 ZINC001361272231 1066626319 /nfs/dbraw/zinc/62/63/19/1066626319.db2.gz FCXWCKBXRYCALE-QUCCMNQESA-N 0 0 456.562 4.578 20 0 JJADRN CC(C)c1nnc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)s1 ZINC001456564446 1066626396 /nfs/dbraw/zinc/62/63/96/1066626396.db2.gz JSAUDGFKPIDRII-GOSISDBHSA-N 0 0 455.365 4.504 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001456564366 1066626465 /nfs/dbraw/zinc/62/64/65/1066626465.db2.gz HMIRLPIBZNSXIG-ACJLOTCBSA-N 0 0 451.017 4.664 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3ccccc3)s1)CC2 ZINC001456564157 1066626499 /nfs/dbraw/zinc/62/64/99/1066626499.db2.gz TXFISELGKJBPSV-LJQANCHMSA-N 0 0 456.608 4.951 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC001445855775 1066627004 /nfs/dbraw/zinc/62/70/04/1066627004.db2.gz VQLGXNWGHABYRC-ZVOVCPRUSA-N 0 0 455.643 4.773 20 0 JJADRN C[C@@H]1CCc2nc(C(=O)Nc3cccc(NC(=O)c4ccc(Br)cc4)c3)cn2C1 ZINC001456565536 1066627010 /nfs/dbraw/zinc/62/70/10/1066627010.db2.gz MSDAUEGUFIUAAV-CQSZACIVSA-N 0 0 453.340 4.733 20 0 JJADRN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCC(=O)c1cc2c(s1)CCCC2 ZINC001456566218 1066627025 /nfs/dbraw/zinc/62/70/25/1066627025.db2.gz QUQPVLOBFALQIF-UHFFFAOYSA-N 0 0 459.637 4.752 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N(CC(F)(F)F)c2ccc(Br)cc2)CC1 ZINC001456566322 1066627042 /nfs/dbraw/zinc/62/70/42/1066627042.db2.gz XNPKXBGBUPLLPI-UHFFFAOYSA-N 0 0 451.283 4.792 20 0 JJADRN Cc1nc(C(=O)Nc2ccccc2-c2nncn2C(C)C)nn1-c1c(Cl)cccc1Cl ZINC001361272752 1066627591 /nfs/dbraw/zinc/62/75/91/1066627591.db2.gz KCPAAVNXVPGNQB-UHFFFAOYSA-N 0 0 456.337 4.974 20 0 JJADRN Cc1cccc([C@H](NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001456568473 1066627872 /nfs/dbraw/zinc/62/78/72/1066627872.db2.gz URQKANLNDGJMRI-QFIPXVFZSA-N 0 0 454.567 4.936 20 0 JJADRN Cc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC001361272975 1066628111 /nfs/dbraw/zinc/62/81/11/1066628111.db2.gz MLLMEBZWOVMICL-IPMKNSEASA-N 0 0 486.707 4.746 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccs2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456570541 1066628361 /nfs/dbraw/zinc/62/83/61/1066628361.db2.gz OMOAYXUUMIYJFO-AREMUKBSSA-N 0 0 454.636 4.994 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCO[C@](C)(c3ccccc3)C2)cc1Br ZINC001445865551 1066628518 /nfs/dbraw/zinc/62/85/18/1066628518.db2.gz IUKPFGRIAKSWGK-IBGZPJMESA-N 0 0 453.174 4.908 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N[C@@H](C(=O)OC(C)(C)C)c3cccc(C)c3)n2)c1 ZINC001456569634 1066628500 /nfs/dbraw/zinc/62/85/00/1066628500.db2.gz WDMHGCSPKFHQOL-HXUWFJFHSA-N 0 0 453.564 4.645 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1cc(F)ccc1F ZINC001456570668 1066628517 /nfs/dbraw/zinc/62/85/17/1066628517.db2.gz VBHLOYKWVSNAPS-QHCPKHFHSA-N 0 0 458.530 4.979 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@H](C)C2)cn1 ZINC001361273204 1066628970 /nfs/dbraw/zinc/62/89/70/1066628970.db2.gz WZOHIKMVUCILAT-CQSZACIVSA-N 0 0 462.392 4.540 20 0 JJADRN C[C@@]1(c2ccccc2)CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC001445870847 1066629167 /nfs/dbraw/zinc/62/91/67/1066629167.db2.gz VBMDVBHFQHGXES-QFIPXVFZSA-N 0 0 457.393 4.889 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cscn2)cn1 ZINC001361273274 1066629544 /nfs/dbraw/zinc/62/95/44/1066629544.db2.gz QHSLKGHWBYWMHC-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001361274294 1066630917 /nfs/dbraw/zinc/63/09/17/1066630917.db2.gz CMDXFEGGUIDVRI-QUCCMNQESA-N 0 0 482.654 4.888 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1 ZINC001445888991 1066631128 /nfs/dbraw/zinc/63/11/28/1066631128.db2.gz WAGKOBGZONBDPP-UHFFFAOYSA-N 0 0 456.380 4.523 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)C/C=C\c2ccc(Br)cc2)c1 ZINC001361274397 1066631617 /nfs/dbraw/zinc/63/16/17/1066631617.db2.gz JOWVTVHVVUGLBS-IHWYPQMZSA-N 0 0 451.748 4.521 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)CCc2nc(C)c(-c3ccccc3)o2)ccn1 ZINC001361274591 1066631679 /nfs/dbraw/zinc/63/16/79/1066631679.db2.gz BOIBEOZHIVZTLD-UHFFFAOYSA-N 0 0 456.502 4.768 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001361274309 1066631688 /nfs/dbraw/zinc/63/16/88/1066631688.db2.gz CRCDHRPOHCJZFK-UYAOXDASSA-N 0 0 480.588 4.575 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001456581865 1066631621 /nfs/dbraw/zinc/63/16/21/1066631621.db2.gz DGIHYOBHXJKACH-HJPURHCSSA-N 0 0 458.530 4.885 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1)C1CC1 ZINC001456581121 1066631752 /nfs/dbraw/zinc/63/17/52/1066631752.db2.gz DOIBOFHKVMDFNU-UHFFFAOYSA-N 0 0 456.468 4.963 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)s1 ZINC001361275350 1066632162 /nfs/dbraw/zinc/63/21/62/1066632162.db2.gz QCPMBOURFPJAKK-UHFFFAOYSA-N 0 0 468.627 4.642 20 0 JJADRN CCC[C@H](O)CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001456583260 1066632325 /nfs/dbraw/zinc/63/23/25/1066632325.db2.gz MWPSNDRZKXVSBT-NRFANRHFSA-N 0 0 456.384 4.512 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)c1 ZINC001361275751 1066632791 /nfs/dbraw/zinc/63/27/91/1066632791.db2.gz ZQRXKNRTKBRVSQ-QBFSEMIESA-N 0 0 456.848 4.657 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001361275378 1066632887 /nfs/dbraw/zinc/63/28/87/1066632887.db2.gz QRVCPSNURUKZSP-SFHVURJKSA-N 0 0 484.670 4.831 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c(C)c1 ZINC001361275806 1066632899 /nfs/dbraw/zinc/63/28/99/1066632899.db2.gz XUCAJUYYEIZLPD-HXUWFJFHSA-N 0 0 477.613 4.702 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC001445904426 1066633097 /nfs/dbraw/zinc/63/30/97/1066633097.db2.gz SYKGANVXPVNODN-FQEVSTJZSA-N 0 0 453.384 4.968 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC001361276334 1066633498 /nfs/dbraw/zinc/63/34/98/1066633498.db2.gz CKVVSKYSFKKUMJ-DLBZAZTESA-N 0 0 460.504 4.658 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361275840 1066633589 /nfs/dbraw/zinc/63/35/89/1066633589.db2.gz YIUAQROJUPFIRG-LJQANCHMSA-N 0 0 480.588 4.577 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(O)c(Br)c2)c1 ZINC001445909596 1066633722 /nfs/dbraw/zinc/63/37/22/1066633722.db2.gz HDVDFRMIMQHAJX-UHFFFAOYSA-N 0 0 454.752 4.658 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 ZINC001456586621 1066633798 /nfs/dbraw/zinc/63/37/98/1066633798.db2.gz KRWVXBWOCJPHNK-IBGZPJMESA-N 0 0 450.485 4.602 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC001445912779 1066633803 /nfs/dbraw/zinc/63/38/03/1066633803.db2.gz ROOLYXBHWBSKGN-UHFFFAOYSA-N 0 0 453.486 4.855 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361276692 1066634197 /nfs/dbraw/zinc/63/41/97/1066634197.db2.gz JGVPEUNBYVFPJZ-NRFANRHFSA-N 0 0 489.542 4.889 20 0 JJADRN CC(C)(C)[S@](=O)CCNC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001456588001 1066634315 /nfs/dbraw/zinc/63/43/15/1066634315.db2.gz DEKCMSDWRPIECK-GDLZYMKVSA-N 0 0 452.407 4.674 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccn2)c(OCC(F)(F)F)c1 ZINC001361277494 1066634963 /nfs/dbraw/zinc/63/49/63/1066634963.db2.gz WMQYVUKWYCXXJH-UHFFFAOYSA-N 0 0 456.472 4.602 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(SC(F)(F)F)c1 ZINC001445922501 1066635550 /nfs/dbraw/zinc/63/55/50/1066635550.db2.gz QFFXAVKDOBIYBE-CYBMUJFWSA-N 0 0 453.404 4.778 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cncc3nc(C(F)(F)F)n(C)c32)cc1 ZINC001456591388 1066635578 /nfs/dbraw/zinc/63/55/78/1066635578.db2.gz RDYGXZXIZYMFDQ-UHFFFAOYSA-N 0 0 454.452 4.885 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)c1C ZINC001456591149 1066635605 /nfs/dbraw/zinc/63/56/05/1066635605.db2.gz QMWPKHULKWYAJS-UHFFFAOYSA-N 0 0 451.596 4.738 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361278455 1066636156 /nfs/dbraw/zinc/63/61/56/1066636156.db2.gz XYCNQVSXJMPDCP-QFIPXVFZSA-N 0 0 476.625 4.746 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1 ZINC001445929712 1066636262 /nfs/dbraw/zinc/63/62/62/1066636262.db2.gz PCFUOEVKYDQXCS-UHFFFAOYSA-N 0 0 454.514 4.877 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001445931047 1066636677 /nfs/dbraw/zinc/63/66/77/1066636677.db2.gz YCKXMGZTZMSFLW-FQEVSTJZSA-N 0 0 450.055 4.648 20 0 JJADRN CC[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545979886 1066636722 /nfs/dbraw/zinc/63/67/22/1066636722.db2.gz KEGJRWKFRTYCMV-OALUTQOASA-N 0 0 482.629 4.593 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001545979815 1066636763 /nfs/dbraw/zinc/63/67/63/1066636763.db2.gz IUNZVEAOMZDXLY-RBBKRZOGSA-N 0 0 467.589 4.898 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001456594447 1066636808 /nfs/dbraw/zinc/63/68/08/1066636808.db2.gz UBGOINMCLOOGRB-UHFFFAOYSA-N 0 0 455.020 4.693 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)cn1 ZINC001361280379 1066637462 /nfs/dbraw/zinc/63/74/62/1066637462.db2.gz CTKVRAVQSYJALH-UHFFFAOYSA-N 0 0 488.405 4.588 20 0 JJADRN CCC[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)N1CCc2sccc2C1 ZINC001361280083 1066637500 /nfs/dbraw/zinc/63/75/00/1066637500.db2.gz VGSHYCXYFVQJNO-NRFANRHFSA-N 0 0 453.995 4.947 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001545979933 1066637438 /nfs/dbraw/zinc/63/74/38/1066637438.db2.gz LEPDIMWGLQRCQQ-FVJLSDCUSA-N 0 0 493.505 4.801 20 0 JJADRN CCn1ncc(Br)c1C(=O)N[C@H](C)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001361280037 1066637517 /nfs/dbraw/zinc/63/75/17/1066637517.db2.gz SSSKRTMHBYZNTL-QGZVFWFLSA-N 0 0 456.384 4.914 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@H](OC)C1)Oc1ccccc1F ZINC001545979978 1066638153 /nfs/dbraw/zinc/63/81/53/1066638153.db2.gz LTDVNXSRICYTKZ-LYHRCORUSA-N 0 0 453.562 4.506 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cscn2)c(OCC(F)(F)F)c1 ZINC001361280876 1066638059 /nfs/dbraw/zinc/63/80/59/1066638059.db2.gz QTJUFKGPJSURLH-GOSISDBHSA-N 0 0 481.544 4.910 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)c(OCC(F)(F)F)c1 ZINC001361280547 1066638130 /nfs/dbraw/zinc/63/81/30/1066638130.db2.gz ISCMJSYQJAYNFC-NRFANRHFSA-N 0 0 496.574 4.806 20 0 JJADRN CCCOc1ccc(OCC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 ZINC001456600573 1066638689 /nfs/dbraw/zinc/63/86/89/1066638689.db2.gz FHUMIYMALFXGCD-UHFFFAOYSA-N 0 0 455.532 4.689 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)CC1=O ZINC001456601132 1066638714 /nfs/dbraw/zinc/63/87/14/1066638714.db2.gz UGVGRJCNEPNOSG-OSOCVKALSA-N 0 0 456.627 4.914 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456601168 1066638758 /nfs/dbraw/zinc/63/87/58/1066638758.db2.gz HUXYGVVVSDSEKG-QUCCMNQESA-N 0 0 451.567 4.562 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)CC1=O ZINC001456601153 1066638770 /nfs/dbraw/zinc/63/87/70/1066638770.db2.gz UGVGRJCNEPNOSG-VKIDHGPPSA-N 0 0 456.627 4.914 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(CCO)Cc2ccc(Br)s2)cc1 ZINC001361281109 1066638726 /nfs/dbraw/zinc/63/87/26/1066638726.db2.gz WOXOJXUFXZXZJF-IBGZPJMESA-N 0 0 491.455 4.699 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC(C)(C)C2)c(C)c1 ZINC001361281200 1066638749 /nfs/dbraw/zinc/63/87/49/1066638749.db2.gz BIFVXOZDUZJRSP-QFIPXVFZSA-N 0 0 483.657 4.673 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC2CCOCC2)c(OCC(F)(F)F)c1 ZINC001361281102 1066638779 /nfs/dbraw/zinc/63/87/79/1066638779.db2.gz WKLGQWWUIAVAGV-HXUWFJFHSA-N 0 0 482.547 4.680 20 0 JJADRN COc1cc(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)ccc1NC(N)=O ZINC001445945483 1066638841 /nfs/dbraw/zinc/63/88/41/1066638841.db2.gz LXWSNQPUYIEEMB-UHFFFAOYSA-N 0 0 456.296 4.993 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)N(Cc1ccccc1Br)C1CCCC1)NC(N)=O ZINC001445949967 1066638951 /nfs/dbraw/zinc/63/89/51/1066638951.db2.gz ZLSWGRUSHBJSAP-NRFANRHFSA-N 0 0 458.400 4.828 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CCc2ccc(O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001445949719 1066638989 /nfs/dbraw/zinc/63/89/89/1066638989.db2.gz JPDQYFKNDSMKDR-LUPFDQBXSA-N 0 0 452.595 4.618 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)cc1OC ZINC001456603274 1066639265 /nfs/dbraw/zinc/63/92/65/1066639265.db2.gz JEINWXADABHVFV-INIZCTEOSA-N 0 0 450.329 4.703 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)o1 ZINC001456603068 1066639335 /nfs/dbraw/zinc/63/93/35/1066639335.db2.gz MUDSFYFYVJRSQJ-KRWDZBQOSA-N 0 0 454.386 4.766 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)c(F)c1 ZINC001361281245 1066639440 /nfs/dbraw/zinc/63/94/40/1066639440.db2.gz YFVJAGMOFNYNPO-NHCUHLMSSA-N 0 0 487.620 4.504 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)cn1 ZINC001361281588 1066639459 /nfs/dbraw/zinc/63/94/59/1066639459.db2.gz IGSDAFKJKQBVQW-UXHICEINSA-N 0 0 490.599 4.626 20 0 JJADRN CC(C)C(=O)Nc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001445950532 1066639511 /nfs/dbraw/zinc/63/95/11/1066639511.db2.gz ZPKFNUXDPROTQC-URWPNFCTSA-N 0 0 454.954 4.934 20 0 JJADRN CC[C@H](CNC(=O)C1(NC(=O)OCc2ccccc2)CC1)Cc1cccc(Br)c1 ZINC001456603752 1066640146 /nfs/dbraw/zinc/64/01/46/1066640146.db2.gz NNVQGDWGSLFZKU-KRWDZBQOSA-N 0 0 459.384 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001445956792 1066640316 /nfs/dbraw/zinc/64/03/16/1066640316.db2.gz ZLHFBYAWVZPWAO-CQSZACIVSA-N 0 0 455.368 4.510 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)c(OCC2CC2)c1 ZINC001361282651 1066640866 /nfs/dbraw/zinc/64/08/66/1066640866.db2.gz VCGBUWDLWGRFHX-LJQANCHMSA-N 0 0 452.521 4.706 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)cc1 ZINC001361282609 1066640924 /nfs/dbraw/zinc/64/09/24/1066640924.db2.gz UUSDENINXZGRTN-UHFFFAOYSA-N 0 0 494.640 4.991 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)Cn2cc(-c3ccccc3)c(C)n2)c2ccccc2)cc1OC ZINC001361283589 1066641435 /nfs/dbraw/zinc/64/14/35/1066641435.db2.gz CNOBBMMBCYPJKD-RUZDIDTESA-N 0 0 455.558 4.976 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)CC[C@@H]1CC1(Cl)Cl)CCC2 ZINC001361284080 1066642292 /nfs/dbraw/zinc/64/22/92/1066642292.db2.gz LJYPMEDSLKSQBC-OAHLLOKOSA-N 0 0 452.334 4.898 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001456609701 1066642422 /nfs/dbraw/zinc/64/24/22/1066642422.db2.gz PZCONNLPZXBBIL-RZQQEMMASA-N 0 0 456.391 4.586 20 0 JJADRN CN(C)c1ccc(C2(C(=O)Nc3ccc(Oc4cccc(S(C)(=O)=O)c4)cc3)CC2)cc1 ZINC001456608657 1066642437 /nfs/dbraw/zinc/64/24/37/1066642437.db2.gz OZEHHHBNKQTUBR-UHFFFAOYSA-N 0 0 450.560 4.619 20 0 JJADRN O=C(NCCc1nnc(-c2ccccc2)o1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001445987998 1066642551 /nfs/dbraw/zinc/64/25/51/1066642551.db2.gz RCCFDMVNZXVTGQ-UHFFFAOYSA-N 0 0 458.465 4.775 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC001361284894 1066642857 /nfs/dbraw/zinc/64/28/57/1066642857.db2.gz LMAVVCXVMNPVPE-NRFANRHFSA-N 0 0 451.659 4.698 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2C)CC1 ZINC001361284803 1066642909 /nfs/dbraw/zinc/64/29/09/1066642909.db2.gz JIBDSGVASGFDCN-UHFFFAOYSA-N 0 0 463.626 4.832 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSCc2ccccc2)C1 ZINC001456611804 1066642847 /nfs/dbraw/zinc/64/28/47/1066642847.db2.gz TXSSKVIXBIKAGT-RTBURBONSA-N 0 0 457.617 4.952 20 0 JJADRN COc1ccc(C[C@H](NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c2ccccc2)cc1OC ZINC001361284736 1066642975 /nfs/dbraw/zinc/64/29/75/1066642975.db2.gz YWQSOSAQXVLILE-IPJJNNNSSA-N 0 0 451.485 4.994 20 0 JJADRN CCc1ccc2occ(C(=O)NCc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c2c1 ZINC001445998731 1066643102 /nfs/dbraw/zinc/64/31/02/1066643102.db2.gz INFBYMWGTPOGNO-UHFFFAOYSA-N 0 0 452.507 4.865 20 0 JJADRN Nc1cc(Cl)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446000151 1066643261 /nfs/dbraw/zinc/64/32/61/1066643261.db2.gz KMMBGLVBUDZQDK-UHFFFAOYSA-N 0 0 457.199 4.733 20 0 JJADRN CC[C@@H]1CN(C(=O)COCc2cccc(Cl)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456611863 1066643755 /nfs/dbraw/zinc/64/37/55/1066643755.db2.gz UBHYJOUXMIQGGZ-XZOQPEGZSA-N 0 0 458.986 4.895 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001456612788 1066643827 /nfs/dbraw/zinc/64/38/27/1066643827.db2.gz CLLYBCHWKOUJTD-BUUDZMLXSA-N 0 0 450.579 4.802 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3ccccc3)CC2)s1 ZINC001361285202 1066643900 /nfs/dbraw/zinc/64/39/00/1066643900.db2.gz SWEPZNDHDVQNCF-UHFFFAOYSA-N 0 0 451.640 4.684 20 0 JJADRN O=C(N1CCc2cc(Br)c(F)cc2C1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001456611997 1066643852 /nfs/dbraw/zinc/64/38/52/1066643852.db2.gz XDNSRLUESPVHLZ-UHFFFAOYSA-N 0 0 450.323 4.652 20 0 JJADRN O=C(NCCCOc1ccc2ccccc2c1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001446000241 1066643961 /nfs/dbraw/zinc/64/39/61/1066643961.db2.gz LTHHGPIBEUQDOY-UHFFFAOYSA-N 0 0 452.304 4.908 20 0 JJADRN CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001446004485 1066644072 /nfs/dbraw/zinc/64/40/72/1066644072.db2.gz TYSYYKOQYKSEHU-GOSISDBHSA-N 0 0 452.576 4.957 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456615484 1066644062 /nfs/dbraw/zinc/64/40/62/1066644062.db2.gz DDOYWTUEVAATCS-GHTZIAJQSA-N 0 0 451.567 4.562 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC2CCC(C)(c3ccccc3)CC2)cc1OC ZINC001446001379 1066644212 /nfs/dbraw/zinc/64/42/12/1066644212.db2.gz OSJXPBOKWJEGFL-LXCUYVEVSA-N 0 0 450.579 4.929 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCCCOc2ccc3ccccc3c2)c(Cl)cc1Cl ZINC001446000686 1066644226 /nfs/dbraw/zinc/64/42/26/1066644226.db2.gz WAGPUWOYLXGKLM-UHFFFAOYSA-N 0 0 452.359 4.749 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456615530 1066644899 /nfs/dbraw/zinc/64/48/99/1066644899.db2.gz DEXIBRJUWPUYQK-NUJGCVRESA-N 0 0 458.521 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(I)c(Cl)c1)C2 ZINC001456615752 1066645009 /nfs/dbraw/zinc/64/50/09/1066645009.db2.gz DWNFYDICVCXCHQ-XUJVJEKNSA-N 0 0 476.742 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC001456615721 1066645023 /nfs/dbraw/zinc/64/50/23/1066645023.db2.gz DQGJEFBCJYMHQR-SFHVURJKSA-N 0 0 453.583 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC001456615716 1066645085 /nfs/dbraw/zinc/64/50/85/1066645085.db2.gz DQGJEFBCJYMHQR-GOSISDBHSA-N 0 0 453.583 4.830 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)c(O[C@@H]2CCOC2)c1 ZINC001361286544 1066644923 /nfs/dbraw/zinc/64/49/23/1066644923.db2.gz SXOJONAJQSVLEX-GGAORHGYSA-N 0 0 470.658 4.642 20 0 JJADRN O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001456616921 1066645784 /nfs/dbraw/zinc/64/57/84/1066645784.db2.gz PCHIYHLAONEGKB-UHFFFAOYSA-N 0 0 457.836 4.932 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)s2)cc1 ZINC001446014143 1066645881 /nfs/dbraw/zinc/64/58/81/1066645881.db2.gz MPXUSHZQRKNVQW-MJGOQNOKSA-N 0 0 458.605 4.543 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)Cc1ccc(Cl)cc1 ZINC001361288255 1066646206 /nfs/dbraw/zinc/64/62/06/1066646206.db2.gz DUHFSHVBXJCIDP-HNAYVOBHSA-N 0 0 452.904 4.845 20 0 JJADRN Cc1ccc(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c(OC(C)(C)C)c1 ZINC001446017686 1066646267 /nfs/dbraw/zinc/64/62/67/1066646267.db2.gz VPVBLDHSOIVWRU-SFHVURJKSA-N 0 0 456.587 4.550 20 0 JJADRN COc1cc(C(=O)NCC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)ccc1OC(F)F ZINC001446016194 1066646513 /nfs/dbraw/zinc/64/65/13/1066646513.db2.gz IJTDKVFNAQNLHA-VSFZPWCASA-N 0 0 458.505 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3c[nH]c4cc(=O)ccc-4c3)CC2)CC1 ZINC001456619966 1066646983 /nfs/dbraw/zinc/64/69/83/1066646983.db2.gz NTJYTOHIMODERW-GOSISDBHSA-N 0 0 453.583 4.830 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546083495 1066647665 /nfs/dbraw/zinc/64/76/65/1066647665.db2.gz OIRJSGPJPZWEDF-BXKMTCNYSA-N 0 0 471.989 4.529 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1 ZINC001492598549 1066647775 /nfs/dbraw/zinc/64/77/75/1066647775.db2.gz MKLZIYGULTWJIN-OAQYLSRUSA-N 0 0 453.587 4.677 20 0 JJADRN Cc1ccccc1OCCCn1c(C(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001492598657 1066648451 /nfs/dbraw/zinc/64/84/51/1066648451.db2.gz NXKJHGSXSGOLCJ-UHFFFAOYSA-N 0 0 482.673 4.780 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492598834 1066649131 /nfs/dbraw/zinc/64/91/31/1066649131.db2.gz PZQKFCOFXQLQOM-RBBKRZOGSA-N 0 0 454.640 4.958 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)c2C)cc1 ZINC001446036490 1066649318 /nfs/dbraw/zinc/64/93/18/1066649318.db2.gz UMPISZDPGRRDJH-VWLOTQADSA-N 0 0 456.546 4.562 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492599404 1066649798 /nfs/dbraw/zinc/64/97/98/1066649798.db2.gz WWDMIKGVFQRRFE-FUPPJEDESA-N 0 0 499.656 4.647 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 ZINC001492599299 1066649806 /nfs/dbraw/zinc/64/98/06/1066649806.db2.gz WECIOQQENKIZSF-FPOVZHCZSA-N 0 0 469.630 4.972 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492599407 1066649819 /nfs/dbraw/zinc/64/98/19/1066649819.db2.gz WWDMIKGVFQRRFE-MQSCRBSSSA-N 0 0 499.656 4.647 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492599415 1066649837 /nfs/dbraw/zinc/64/98/37/1066649837.db2.gz ZFJWUGYVTBFLBC-FHWLQOOXSA-N 0 0 479.547 4.737 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001492599385 1066649895 /nfs/dbraw/zinc/64/98/95/1066649895.db2.gz WVXSYSUAPKNWPM-HXUWFJFHSA-N 0 0 481.666 4.667 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001446039822 1066650041 /nfs/dbraw/zinc/65/00/41/1066650041.db2.gz XMSOCQGGAAUIOB-JOCHJYFZSA-N 0 0 459.514 4.743 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)CCCOc2ccccc2C)sc1C ZINC001492599454 1066650537 /nfs/dbraw/zinc/65/05/37/1066650537.db2.gz ZSWWKIKDDPTNRO-UHFFFAOYSA-N 0 0 462.623 4.599 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001492599674 1066651198 /nfs/dbraw/zinc/65/11/98/1066651198.db2.gz ACDHNJGJIUQFJF-MRXNPFEDSA-N 0 0 481.544 4.671 20 0 JJADRN O=C(Nc1ccccc1CCC(F)(F)F)c1cccn2c(I)cnc12 ZINC001446044075 1066651252 /nfs/dbraw/zinc/65/12/52/1066651252.db2.gz DVNODENASJTHOT-UHFFFAOYSA-N 0 0 459.209 4.686 20 0 JJADRN COC(=O)N(C)CCCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001456631039 1066651471 /nfs/dbraw/zinc/65/14/71/1066651471.db2.gz IIMSJPXXOHTWBP-GFCCVEGCSA-N 0 0 454.390 4.537 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001492599874 1066651978 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470.658 4.969 20 0 JJADRN Cc1ccc(OC(F)F)c(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC001446066912 1066653843 /nfs/dbraw/zinc/65/38/43/1066653843.db2.gz KMNLXENNEGZIEY-UHFFFAOYSA-N 0 0 452.527 4.531 20 0 JJADRN COC(C)(C)CN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC001446063734 1066653903 /nfs/dbraw/zinc/65/39/03/1066653903.db2.gz YHBNOPWLEBFDGV-RUZDIDTESA-N 0 0 457.574 4.546 20 0 JJADRN Cc1ccccc1OCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001492600721 1066654537 /nfs/dbraw/zinc/65/45/37/1066654537.db2.gz QUEMKHBWCITCJS-RBBKRZOGSA-N 0 0 499.656 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCO)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446068916 1066654700 /nfs/dbraw/zinc/65/47/00/1066654700.db2.gz CKLUMOUOXZTZKP-CEXWTWQISA-N 0 0 465.015 4.592 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001546084032 1066654783 /nfs/dbraw/zinc/65/47/83/1066654783.db2.gz WXQYGCBCSUUPNN-WXVAWEFUSA-N 0 0 497.684 4.689 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001492601162 1066655043 /nfs/dbraw/zinc/65/50/43/1066655043.db2.gz YSAAWQOXWWGLOX-OALUTQOASA-N 0 0 455.990 4.632 20 0 JJADRN Cc1ccccc1OCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001492601071 1066655103 /nfs/dbraw/zinc/65/51/03/1066655103.db2.gz VOSNQRJPUIVAAO-UHFFFAOYSA-N 0 0 481.685 4.872 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1OCCC1(C)C ZINC001492600984 1066655160 /nfs/dbraw/zinc/65/51/60/1066655160.db2.gz WSHCOEFOVJWCSB-FQEVSTJZSA-N 0 0 488.430 4.674 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCO[C@H](C)C1 ZINC001492601160 1066655190 /nfs/dbraw/zinc/65/51/90/1066655190.db2.gz YSAAWQOXWWGLOX-MOPGFXCFSA-N 0 0 455.990 4.632 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001446071748 1066655447 /nfs/dbraw/zinc/65/54/47/1066655447.db2.gz PWWOJAPTAJJGKD-HOTGVXAUSA-N 0 0 451.995 4.700 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001446071744 1066655454 /nfs/dbraw/zinc/65/54/54/1066655454.db2.gz PWWOJAPTAJJGKD-CVEARBPZSA-N 0 0 451.995 4.700 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCSC2)CCO1 ZINC001546084053 1066655450 /nfs/dbraw/zinc/65/54/50/1066655450.db2.gz XEWBAAVORYAAPU-HYFFOGBASA-N 0 0 451.036 4.830 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C2CCCCC2)CCO1 ZINC001546084064 1066655499 /nfs/dbraw/zinc/65/54/99/1066655499.db2.gz XGGKFBRMZZHUGN-DWACAAAGSA-N 0 0 497.684 4.831 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001492601236 1066655828 /nfs/dbraw/zinc/65/58/28/1066655828.db2.gz ZIAUFMXHSADHIT-UHFFFAOYSA-N 0 0 481.685 4.972 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC001456644314 1066656073 /nfs/dbraw/zinc/65/60/73/1066656073.db2.gz LNOLJYRBLTXRHT-NRSPTQNISA-N 0 0 457.571 4.775 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](CCCO)c2ccccc2)(c2ccccc2)CC1 ZINC001446077769 1066656098 /nfs/dbraw/zinc/65/60/98/1066656098.db2.gz LXVALAQPKFNKEZ-QHCPKHFHSA-N 0 0 452.595 4.585 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2)c1C ZINC001446078626 1066656106 /nfs/dbraw/zinc/65/61/06/1066656106.db2.gz VTRQXLOTCAHXBQ-DYESRHJHSA-N 0 0 454.615 4.817 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2)c1C ZINC001446078676 1066656126 /nfs/dbraw/zinc/65/61/26/1066656126.db2.gz VTRQXLOTCAHXBQ-UTKZUKDTSA-N 0 0 454.615 4.817 20 0 JJADRN O=C(N[C@@H](CCO)C1CCCCC1)c1cc(I)c(Cl)cc1Cl ZINC001446078748 1066656682 /nfs/dbraw/zinc/65/66/82/1066656682.db2.gz XYHZWSZXQBZXFB-HNNXBMFYSA-N 0 0 456.151 4.659 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](CCCO)c1ccccc1 ZINC001446080166 1066656825 /nfs/dbraw/zinc/65/68/25/1066656825.db2.gz PBYQWQSDWNNLKK-OAQYLSRUSA-N 0 0 456.384 4.554 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc3sc(Br)cc3s2)ccc1OCCO 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/nfs/dbraw/zinc/65/82/73/1066658273.db2.gz DXAZSYOJRACQSQ-LSDHHAIUSA-N 0 0 476.574 4.930 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)nnn1-c1cccc(Cl)c1 ZINC001446088085 1066658298 /nfs/dbraw/zinc/65/82/98/1066658298.db2.gz UJUYEBNGQRYAGE-OAQYLSRUSA-N 0 0 452.967 4.667 20 0 JJADRN Cc1c(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456650587 1066658134 /nfs/dbraw/zinc/65/81/34/1066658134.db2.gz OBFGYYXQEVBESS-UHFFFAOYSA-N 0 0 457.527 4.651 20 0 JJADRN Cc1ccccc1OCCn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492602572 1066658453 /nfs/dbraw/zinc/65/84/53/1066658453.db2.gz PXMOOVPUPALBCI-IBGZPJMESA-N 0 0 469.630 4.673 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001492602558 1066658914 /nfs/dbraw/zinc/65/89/14/1066658914.db2.gz UVSHRYLVFCWKHZ-ZEQKJWHPSA-N 0 0 463.626 4.539 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001492602555 1066658972 /nfs/dbraw/zinc/65/89/72/1066658972.db2.gz UVSHRYLVFCWKHZ-BVAGGSTKSA-N 0 0 463.626 4.539 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC001446096371 1066659395 /nfs/dbraw/zinc/65/93/95/1066659395.db2.gz GZCCEQFXFWGILS-UHFFFAOYSA-N 0 0 457.518 4.714 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)C/C=C/c3ccc(Br)cc3)C2)c1 ZINC001446097662 1066659436 /nfs/dbraw/zinc/65/94/36/1066659436.db2.gz HCJNBIMLTQGXJZ-OAJJDEHYSA-N 0 0 459.384 4.512 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492603043 1066659566 /nfs/dbraw/zinc/65/95/66/1066659566.db2.gz ZYOFHTYSBBKNQG-FCEUIQTBSA-N 0 0 499.656 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(Br)c(Cl)c3F)C[C@@H]2C1 ZINC001456654275 1066659950 /nfs/dbraw/zinc/65/99/50/1066659950.db2.gz HVEMLZXFPZOIBF-NEPJUHHUSA-N 0 0 461.759 4.571 20 0 JJADRN Nc1c(I)cccc1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC001446102141 1066660078 /nfs/dbraw/zinc/66/00/78/1066660078.db2.gz SGTWVCHNNQWJLA-UHFFFAOYSA-N 0 0 457.243 4.527 20 0 JJADRN 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O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC001456661065 1066661195 /nfs/dbraw/zinc/66/11/95/1066661195.db2.gz KSJHORWIPKSMAA-UHFFFAOYSA-N 0 0 456.449 4.691 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC001456658185 1066661218 /nfs/dbraw/zinc/66/12/18/1066661218.db2.gz FSABFWZNQSLMNX-IBGZPJMESA-N 0 0 452.576 4.903 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001492604743 1066661308 /nfs/dbraw/zinc/66/13/08/1066661308.db2.gz CSOGOFIGOUKRJI-GOSISDBHSA-N 0 0 485.007 4.620 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cc(OCc4ccccc4)cs3)C2)c1 ZINC001446108303 1066661304 /nfs/dbraw/zinc/66/13/04/1066661304.db2.gz TXGSGCWFPBEHSB-IBGZPJMESA-N 0 0 452.576 4.601 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC001456661805 1066661986 /nfs/dbraw/zinc/66/19/86/1066661986.db2.gz IUXSFTCVUDVAMB-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 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CC(C)(C)OC(=O)N(CCNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CCCCCC1 ZINC001446142676 1066665122 /nfs/dbraw/zinc/66/51/22/1066665122.db2.gz JAUQQVCAIZKGNG-LJQANCHMSA-N 0 0 458.521 4.815 20 0 JJADRN CCCn1c(C)c(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c2cc(OC)ccc21 ZINC001446142683 1066665184 /nfs/dbraw/zinc/66/51/84/1066665184.db2.gz KMRXJZFNEISGBP-UHFFFAOYSA-N 0 0 453.970 4.506 20 0 JJADRN CCN(C(=O)c1ccc(-c2csnn2)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001456683487 1066665835 /nfs/dbraw/zinc/66/58/35/1066665835.db2.gz CZGWADAMQDZSBP-UHFFFAOYSA-N 0 0 450.612 4.558 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)CC2)c1 ZINC001492607217 1066665967 /nfs/dbraw/zinc/66/59/67/1066665967.db2.gz IXCOPALXEOSNHJ-UHFFFAOYSA-N 0 0 453.562 4.651 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446145058 1066666001 /nfs/dbraw/zinc/66/60/01/1066666001.db2.gz SWOPKFOLZVFHEM-QZTJIDSGSA-N 0 0 455.640 4.612 20 0 JJADRN O=C(C/C=C\c1ccc(Br)cc1)N1CCN(C(=O)c2cc3occc3s2)CC1 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/nfs/dbraw/zinc/66/81/12/1066668112.db2.gz DGVOUNRCKYKQRV-WOJBJXKFSA-N 0 0 485.629 4.818 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CCSCC(F)(F)F)cc1C ZINC001492608209 1066668476 /nfs/dbraw/zinc/66/84/76/1066668476.db2.gz UWWYAVKCYLGMDB-UHFFFAOYSA-N 0 0 453.534 4.599 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001492608074 1066668494 /nfs/dbraw/zinc/66/84/94/1066668494.db2.gz PQVOGJAAXNFORD-WOJBJXKFSA-N 0 0 455.647 4.822 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCO[C@@H](C)C3)CC2)c1 ZINC001492608041 1066668543 /nfs/dbraw/zinc/66/85/43/1066668543.db2.gz ORBQCRITKXGBRM-SFTDATJTSA-N 0 0 455.647 4.823 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC001456696084 1066668735 /nfs/dbraw/zinc/66/87/35/1066668735.db2.gz CADIFXZXPXUVLA-OFVILXPXSA-N 0 0 454.636 4.781 20 0 JJADRN CC(C)c1ccc(C[C@H](C)NC(=O)CCOc2cccc(I)c2)cc1 ZINC001446179096 1066668843 /nfs/dbraw/zinc/66/88/43/1066668843.db2.gz AJJGTFLHPDSYHJ-INIZCTEOSA-N 0 0 451.348 4.931 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001492608611 1066668961 /nfs/dbraw/zinc/66/89/61/1066668961.db2.gz DWIHVZZQZRRPNZ-UHFFFAOYSA-N 0 0 497.319 4.577 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3Cc3cc(COC(C)(C)C)on3)CC2)c1 ZINC001492607883 1066669012 /nfs/dbraw/zinc/66/90/12/1066669012.db2.gz ITNUTPOGIJSTCY-UHFFFAOYSA-N 0 0 482.629 4.579 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC001446184222 1066669612 /nfs/dbraw/zinc/66/96/12/1066669612.db2.gz BPFYHWTVTJQGRQ-UHFFFAOYSA-N 0 0 454.939 4.656 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC001456700898 1066670110 /nfs/dbraw/zinc/67/01/10/1066670110.db2.gz OBCKUGUVUSXRSR-UHFFFAOYSA-N 0 0 454.390 4.606 20 0 JJADRN CN(CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001456700652 1066670114 /nfs/dbraw/zinc/67/01/14/1066670114.db2.gz CGAZPGMCVGOWFU-IBGZPJMESA-N 0 0 457.423 4.908 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)N(C)CC3(c4ccc(Br)cc4)CC3)c(C)n2n1 ZINC001456701029 1066670145 /nfs/dbraw/zinc/67/01/45/1066670145.db2.gz CQDMUYVDNSDVAT-UHFFFAOYSA-N 0 0 455.400 4.540 20 0 JJADRN CCCN(C(=O)c1cnc2ccnn2c1C(F)F)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456704658 1066670826 /nfs/dbraw/zinc/67/08/26/1066670826.db2.gz ULVOKPGQVOMYAO-FQEVSTJZSA-N 0 0 457.431 4.982 20 0 JJADRN O=C(CN1C(=O)COc2cc(Br)ccc21)OCCCc1cccc2ccccc21 ZINC001456705335 1066670849 /nfs/dbraw/zinc/67/08/49/1066670849.db2.gz LLWNBFITJJUHAE-UHFFFAOYSA-N 0 0 454.320 4.504 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CCOCC(F)(F)C(F)F)C1 ZINC001492609364 1066671124 /nfs/dbraw/zinc/67/11/24/1066671124.db2.gz SEQLYVHLIMTVNO-UHFFFAOYSA-N 0 0 477.300 4.781 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ncccc2N(C)C)C1 ZINC001492609319 1066671174 /nfs/dbraw/zinc/67/11/74/1066671174.db2.gz RKYHWLRVUJSASH-UHFFFAOYSA-N 0 0 471.378 4.512 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CC(=O)N(Cc4ccccc4)C3)cc2c1 ZINC001446187955 1066671170 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453.587 4.586 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)Nc3cc(Cl)ccc3OCCS(C)(=O)=O)ccc2c1 ZINC001456722785 1066673839 /nfs/dbraw/zinc/67/38/39/1066673839.db2.gz DOEVULOQAXWCEH-WMZJFQQLSA-N 0 0 459.951 4.577 20 0 JJADRN CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446196238 1066674058 /nfs/dbraw/zinc/67/40/58/1066674058.db2.gz QHNYXUYJJAAEQK-FYYLOGMGSA-N 0 0 453.558 4.689 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492612944 1066674851 /nfs/dbraw/zinc/67/48/51/1066674851.db2.gz AKZNYPRJMFUORK-UHFFFAOYSA-N 0 0 469.630 4.887 20 0 JJADRN CCc1cnc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)s1 ZINC001456726760 1066675138 /nfs/dbraw/zinc/67/51/38/1066675138.db2.gz IMBZUGFZAXHPHU-UHFFFAOYSA-N 0 0 451.577 4.596 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001492613784 1066677040 /nfs/dbraw/zinc/67/70/40/1066677040.db2.gz IDHVYJYLRARBLD-SSEXGKCCSA-N 0 0 471.454 4.868 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001446241122 1066678097 /nfs/dbraw/zinc/67/80/97/1066678097.db2.gz VTBYULJTCGQWRM-QUCCMNQESA-N 0 0 454.514 4.923 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001446241129 1066678248 /nfs/dbraw/zinc/67/82/48/1066678248.db2.gz VTBYULJTCGQWRM-UYAOXDASSA-N 0 0 454.514 4.923 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CC1([S@](C)=O)CC1 ZINC001492614280 1066678494 /nfs/dbraw/zinc/67/84/94/1066678494.db2.gz AXYYPMCEXXTJLO-DRKIFQHWSA-N 0 0 463.047 4.756 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC(c3cccnc3)CC2)cc1)c1ccc(Br)o1 ZINC001446245976 1066678700 /nfs/dbraw/zinc/67/87/00/1066678700.db2.gz SWNOKJIKYBFGRA-UHFFFAOYSA-N 0 0 454.324 4.709 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)n2)cc1 ZINC001456740445 1066678854 /nfs/dbraw/zinc/67/88/54/1066678854.db2.gz WFNDXEVIRKJQMG-CALCHBBNSA-N 0 0 454.577 4.571 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CC1([S@@](C)=O)CC1 ZINC001492614283 1066678942 /nfs/dbraw/zinc/67/89/42/1066678942.db2.gz AXYYPMCEXXTJLO-WTPASJBYSA-N 0 0 463.047 4.756 20 0 JJADRN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001456738776 1066679007 /nfs/dbraw/zinc/67/90/07/1066679007.db2.gz CWXQXXORTPLPEH-NHCUHLMSSA-N 0 0 459.359 4.777 20 0 JJADRN CC[C@@H](NC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C(C)(C)c1ccccc1 ZINC001456741239 1066679055 /nfs/dbraw/zinc/67/90/55/1066679055.db2.gz CACBBWXEPLLWFR-OAQYLSRUSA-N 0 0 454.615 4.560 20 0 JJADRN O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)N[C@H](CO)C(F)(F)F ZINC001456745764 1066679669 /nfs/dbraw/zinc/67/96/69/1066679669.db2.gz IBDABVPETBVKLQ-QGZVFWFLSA-N 0 0 455.274 4.569 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCCN1CCOCC1 ZINC001492615087 1066679700 /nfs/dbraw/zinc/67/97/00/1066679700.db2.gz ZEJHLPDMGHAKKY-OAQYLSRUSA-N 0 0 474.049 4.567 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)C1CC1 ZINC001456745336 1066679750 /nfs/dbraw/zinc/67/97/50/1066679750.db2.gz JHCIWBRVMUWBQQ-CQSZACIVSA-N 0 0 456.383 4.637 20 0 JJADRN CC(=O)CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446246769 1066679719 /nfs/dbraw/zinc/67/97/19/1066679719.db2.gz WZSRHRGDINGOKQ-SANMLTNESA-N 0 0 456.542 4.704 20 0 JJADRN C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001456746394 1066679770 /nfs/dbraw/zinc/67/97/70/1066679770.db2.gz KKNVNYCRHRHSHE-QRWLVFNGSA-N 0 0 459.409 4.683 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001545982799 1066680251 /nfs/dbraw/zinc/68/02/51/1066680251.db2.gz REUUCPSAUGZLCP-IBGZPJMESA-N 0 0 492.462 4.900 20 0 JJADRN O=C(Nc1n[nH]c2c1cccc2Cl)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001545983763 1066680262 /nfs/dbraw/zinc/68/02/62/1066680262.db2.gz SJYVXGJDVBLXPH-UHFFFAOYSA-N 0 0 452.095 4.726 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCc1ccn(C)n1 ZINC001492614664 1066680476 /nfs/dbraw/zinc/68/04/76/1066680476.db2.gz MEUIUUHVNPGKDD-LJQANCHMSA-N 0 0 455.006 4.821 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)c1C ZINC001456753011 1066681293 /nfs/dbraw/zinc/68/12/93/1066681293.db2.gz QMRAQXNTLPUFBG-ZDUSSCGKSA-N 0 0 458.349 4.825 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001456753460 1066681301 /nfs/dbraw/zinc/68/13/01/1066681301.db2.gz XXEYRJYIHHIYQQ-CRAIPNDOSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001446271232 1066681660 /nfs/dbraw/zinc/68/16/60/1066681660.db2.gz GNMPDFCUYHHICG-INIZCTEOSA-N 0 0 457.328 4.612 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cc(F)ccc1SCC(F)F ZINC001456761529 1066682528 /nfs/dbraw/zinc/68/25/28/1066682528.db2.gz OIRWWXNSWOHYHD-UHFFFAOYSA-N 0 0 459.497 4.962 20 0 JJADRN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Oc1cccc(-c3nc(C(C)(C)C)cs3)c1)C2=O ZINC001456763324 1066682605 /nfs/dbraw/zinc/68/26/05/1066682605.db2.gz BYNNNJWYOSJFMZ-IZHWHUGBSA-N 0 0 455.580 4.514 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492616130 1066683012 /nfs/dbraw/zinc/68/30/12/1066683012.db2.gz MBNLTBGTJNUAQZ-UHFFFAOYSA-N 0 0 462.598 4.907 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC001446275478 1066683037 /nfs/dbraw/zinc/68/30/37/1066683037.db2.gz PRBRTPWOOJZFSE-CVDCTZTESA-N 0 0 450.608 4.767 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001492615816 1066683188 /nfs/dbraw/zinc/68/31/88/1066683188.db2.gz ZOAFHUJBIHOPPB-FQEVSTJZSA-N 0 0 496.331 4.642 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C)CC1 ZINC001492615949 1066683211 /nfs/dbraw/zinc/68/32/11/1066683211.db2.gz FUOJJUGBULFOSH-UHFFFAOYSA-N 0 0 455.404 4.768 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001456766893 1066683287 /nfs/dbraw/zinc/68/32/87/1066683287.db2.gz VSJUERBNLYBEOP-FQEVSTJZSA-N 0 0 458.605 4.801 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)ccc1OCC(F)(F)F ZINC001456765524 1066683313 /nfs/dbraw/zinc/68/33/13/1066683313.db2.gz KERFVKOCNBOZJS-ZDUSSCGKSA-N 0 0 457.246 4.763 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC001545983888 1066683786 /nfs/dbraw/zinc/68/37/86/1066683786.db2.gz XTSFCLREVSYSGT-HXUWFJFHSA-N 0 0 454.930 4.763 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1 ZINC001456767232 1066683996 /nfs/dbraw/zinc/68/39/96/1066683996.db2.gz AYBIPWABSXDBPQ-INIZCTEOSA-N 0 0 455.352 4.845 20 0 JJADRN CC1=CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCCOC(C)C)CC1 ZINC001492616805 1066684368 /nfs/dbraw/zinc/68/43/68/1066684368.db2.gz LSRSDENZQXTJSI-UHFFFAOYSA-N 0 0 464.614 4.598 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCc2ccccc2)CC1 ZINC001492617776 1066685163 /nfs/dbraw/zinc/68/51/63/1066685163.db2.gz OURRJROSLCOQTI-UHFFFAOYSA-N 0 0 481.641 4.766 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492618171 1066685921 /nfs/dbraw/zinc/68/59/21/1066685921.db2.gz ZFVWLFWDVRPZOL-IDISGSTGSA-N 0 0 499.656 4.667 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccncc3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001492618593 1066686010 /nfs/dbraw/zinc/68/60/10/1066686010.db2.gz PCZXYGKPOXRVLY-FQEVSTJZSA-N 0 0 456.363 4.894 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccnc(N2CCCCCC2)c1 ZINC001446288458 1066686031 /nfs/dbraw/zinc/68/60/31/1066686031.db2.gz NHCXUZBIFQLUIV-RUZDIDTESA-N 0 0 456.590 4.640 20 0 JJADRN CN(C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001456772296 1066686955 /nfs/dbraw/zinc/68/69/55/1066686955.db2.gz SKUZGYRDABBZDQ-XZOQPEGZSA-N 0 0 452.913 4.863 20 0 JJADRN Cc1ccc(OCc2nnc(N3CC=C(C)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC001492619706 1066687307 /nfs/dbraw/zinc/68/73/07/1066687307.db2.gz GMESXYOJHWLNFC-IBGZPJMESA-N 0 0 469.630 4.791 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 ZINC001446298688 1066687730 /nfs/dbraw/zinc/68/77/30/1066687730.db2.gz XRNJMWDGNQCZCM-QFIPXVFZSA-N 0 0 456.995 4.570 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(Br)cc1F ZINC001456775872 1066687869 /nfs/dbraw/zinc/68/78/69/1066687869.db2.gz RKZGXJYUOKKQTR-UHFFFAOYSA-N 0 0 456.136 4.924 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001492619845 1066688066 /nfs/dbraw/zinc/68/80/66/1066688066.db2.gz LQNGSSFULXTBPS-AQNXPRMDSA-N 0 0 485.604 4.812 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C)CC3)n2CCC(=O)N2CCCCC2)c1 ZINC001492619851 1066688128 /nfs/dbraw/zinc/68/81/28/1066688128.db2.gz LWNGTGFGUHKKNR-UHFFFAOYSA-N 0 0 465.642 4.848 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Cl)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492620047 1066689323 /nfs/dbraw/zinc/68/93/23/1066689323.db2.gz UFIGQRGXXRJSPI-XMMPIXPASA-N 0 0 456.974 4.784 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1(C)C ZINC001456782074 1066689382 /nfs/dbraw/zinc/68/93/82/1066689382.db2.gz MHGZECJEKZFSLT-ANULTFPQSA-N 0 0 465.034 4.953 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccc(OCCC(C)C)cc4)n3CCC(C)(C)O)C2)c1 ZINC001492620259 1066689442 /nfs/dbraw/zinc/68/94/42/1066689442.db2.gz AXJQSKGIGYNVRU-QHCPKHFHSA-N 0 0 480.657 4.877 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC001446319959 1066689510 /nfs/dbraw/zinc/68/95/10/1066689510.db2.gz MHEOQYMSAGPICI-NRFANRHFSA-N 0 0 454.983 4.770 20 0 JJADRN O=C(c1cccc(Sc2cccc(Br)c2)n1)N(CCO)CCc1ccccc1 ZINC001446318885 1066689550 /nfs/dbraw/zinc/68/95/50/1066689550.db2.gz FGAYYNAXEQPREY-UHFFFAOYSA-N 0 0 457.393 4.673 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1C ZINC001446310353 1066689580 /nfs/dbraw/zinc/68/95/80/1066689580.db2.gz OVEKVOSCDCKCAO-RPWUZVMVSA-N 0 0 450.579 4.539 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCCNC(=O)OC(C)(C)C)C2)c1 ZINC001492620408 1066689939 /nfs/dbraw/zinc/68/99/39/1066689939.db2.gz FDXDBYQVVXCXPK-JOCHJYFZSA-N 0 0 493.656 4.905 20 0 JJADRN CCc1nc(NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)OC ZINC001446325117 1066690362 /nfs/dbraw/zinc/69/03/62/1066690362.db2.gz AAAZOEYOCYXLJJ-UHFFFAOYSA-N 0 0 453.605 4.638 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3CCC(C)(C)O)C2)c1 ZINC001492620541 1066690696 /nfs/dbraw/zinc/69/06/96/1066690696.db2.gz HKASJBSXAFRNDU-AZUAARDMSA-N 0 0 473.021 4.579 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCSC(F)(F)F)C2)c1 ZINC001492620504 1066690727 /nfs/dbraw/zinc/69/07/27/1066690727.db2.gz GVTFYDULDRVEBP-OAHLLOKOSA-N 0 0 454.497 4.684 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCNc3ncc(Cl)cc3Cl)C2)c1 ZINC001492620833 1066691426 /nfs/dbraw/zinc/69/14/26/1066691426.db2.gz MKFQTYNBFGPZLM-QGZVFWFLSA-N 0 0 477.444 4.736 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@H]2C(C)C)CCO1 ZINC001546084960 1066692078 /nfs/dbraw/zinc/69/20/78/1066692078.db2.gz BCBFSEDLTNKAKP-ITSWEJNFSA-N 0 0 495.437 4.913 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C4CCCC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492621327 1066692149 /nfs/dbraw/zinc/69/21/49/1066692149.db2.gz XBHDVUWJAPFQIP-FCHUYYIVSA-N 0 0 485.677 4.831 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)/C=C/c3cc(C)c(C)cc3C)CC2)c(Cl)c1 ZINC001456795166 1066692229 /nfs/dbraw/zinc/69/22/29/1066692229.db2.gz BLEJBCXSRKEAKJ-OEAKIKGJSA-N 0 0 454.998 4.725 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(F)cc3)CC2)c1 ZINC001492621612 1066692732 /nfs/dbraw/zinc/69/27/32/1066692732.db2.gz CRRABCMKWNENPB-LJQANCHMSA-N 0 0 454.594 4.604 20 0 JJADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)C(C)C)CCO2)c1 ZINC001492622100 1066693433 /nfs/dbraw/zinc/69/34/33/1066693433.db2.gz HHLMJQVIHIDEEK-NRFANRHFSA-N 0 0 488.583 4.639 20 0 JJADRN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446338947 1066693393 /nfs/dbraw/zinc/69/33/93/1066693393.db2.gz NOLNAPRWOVFDOY-KOSHJBKYSA-N 0 0 452.913 4.800 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC001446340286 1066693492 /nfs/dbraw/zinc/69/34/92/1066693492.db2.gz XOEWNHMXQQSIJE-PBHICJAKSA-N 0 0 452.418 4.644 20 0 JJADRN CC(C)C[C@H](NC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001446338473 1066693529 /nfs/dbraw/zinc/69/35/29/1066693529.db2.gz SHDVONWHAIXITD-VMSUTVGLSA-N 0 0 452.515 4.639 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492622422 1066694179 /nfs/dbraw/zinc/69/41/79/1066694179.db2.gz OCYIEMRQDGKHBX-SFHVURJKSA-N 0 0 480.510 4.931 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)[C@@H](c1ccncc1)C1CCCCC1 ZINC001456802207 1066694489 /nfs/dbraw/zinc/69/44/89/1066694489.db2.gz KKERRXWIDZMAML-RRPNLBNLSA-N 0 0 455.602 4.789 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC4CCCC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492622909 1066694695 /nfs/dbraw/zinc/69/46/95/1066694695.db2.gz UVZJOFOMGJUOFX-PKTZIBPZSA-N 0 0 499.704 4.907 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)c1 ZINC001492623342 1066695381 /nfs/dbraw/zinc/69/53/81/1066695381.db2.gz ALLAWOCOQRRELR-INIZCTEOSA-N 0 0 457.420 4.785 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)[C@@H]1c1cccc(C)c1 ZINC001456804847 1066695788 /nfs/dbraw/zinc/69/57/88/1066695788.db2.gz BOWLXXPYRGNJIA-BVAGGSTKSA-N 0 0 450.579 4.657 20 0 JJADRN COc1cc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc(OC)c1OC(F)F ZINC001456804506 1066695799 /nfs/dbraw/zinc/69/57/99/1066695799.db2.gz ASYYAKNPOSJXME-UHFFFAOYSA-N 0 0 451.466 4.671 20 0 JJADRN CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456804789 1066695845 /nfs/dbraw/zinc/69/58/45/1066695845.db2.gz ASMJCDGXEMNJSC-GOTSBHOMSA-N 0 0 450.579 4.922 20 0 JJADRN Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)ccc1N1CCOCC1 ZINC001456804684 1066695868 /nfs/dbraw/zinc/69/58/68/1066695868.db2.gz SMAOTQWSHLQUFY-UHFFFAOYSA-N 0 0 457.412 4.836 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCc2cccs2)c1 ZINC001492624010 1066696346 /nfs/dbraw/zinc/69/63/46/1066696346.db2.gz PDCREKVFTXKETK-GOSISDBHSA-N 0 0 454.575 4.503 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)c1c(C)noc1C ZINC001446363049 1066696415 /nfs/dbraw/zinc/69/64/15/1066696415.db2.gz QXXVWIMZGHTCIF-RISCZKNCSA-N 0 0 454.312 4.576 20 0 JJADRN CC[C@H](NC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)c1c(C)noc1C ZINC001446363041 1066696474 /nfs/dbraw/zinc/69/64/74/1066696474.db2.gz QXXVWIMZGHTCIF-FZMZJTMJSA-N 0 0 454.312 4.576 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)NC[C@@H](C)COc3ccccc3OC)ccc21 ZINC001446359550 1066696481 /nfs/dbraw/zinc/69/64/81/1066696481.db2.gz KXKWLNIEDWNNBL-LJQANCHMSA-N 0 0 459.546 4.547 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cs1 ZINC001456805928 1066696591 /nfs/dbraw/zinc/69/65/91/1066696591.db2.gz WCYFLMSCOCPHBH-QHCPKHFHSA-N 0 0 455.583 4.776 20 0 JJADRN CCC[C@H]1CCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 ZINC001456806233 1066696599 /nfs/dbraw/zinc/69/65/99/1066696599.db2.gz VOLQBIMWYPMQRS-IBGZPJMESA-N 0 0 451.596 4.611 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)cc1 ZINC001456807033 1066696621 /nfs/dbraw/zinc/69/66/21/1066696621.db2.gz HHWFUKLXYWFVLO-KOSHJBKYSA-N 0 0 450.608 4.985 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001456805593 1066696650 /nfs/dbraw/zinc/69/66/50/1066696650.db2.gz OZJJDSXCVNEEEV-NXHRZFHOSA-N 0 0 479.408 4.817 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cs1 ZINC001456805925 1066696674 /nfs/dbraw/zinc/69/66/74/1066696674.db2.gz WCYFLMSCOCPHBH-HSZRJFAPSA-N 0 0 455.583 4.776 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)c1 ZINC001492624659 1066697379 /nfs/dbraw/zinc/69/73/79/1066697379.db2.gz YGLQVGZZJQRWNT-MRXNPFEDSA-N 0 0 466.483 4.541 20 0 JJADRN COC(=O)C1(CCCCNC(=O)CSc2nccn2-c2cccc(Cl)c2C)CCC1 ZINC001456808766 1066697899 /nfs/dbraw/zinc/69/78/99/1066697899.db2.gz MXHFWFWUJQUIHH-UHFFFAOYSA-N 0 0 450.004 4.556 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(C(C)(C)C)cc1 ZINC001456810433 1066697927 /nfs/dbraw/zinc/69/79/27/1066697927.db2.gz FYYWJAOESQRLMB-GOSISDBHSA-N 0 0 455.580 4.839 20 0 JJADRN Cc1cnn(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC001492626579 1066697951 /nfs/dbraw/zinc/69/79/51/1066697951.db2.gz QKNWXCOZSYPVBK-DENIHFKCSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C(C)(C)C)CC2)c1 ZINC001492626777 1066697980 /nfs/dbraw/zinc/69/79/80/1066697980.db2.gz TUZLWQCAFCYARR-OAQYLSRUSA-N 0 0 497.688 4.780 20 0 JJADRN Cc1cnn(CCn2c(Cc3c(F)cccc3F)nnc2N(Cc2cccs2)C(C)C)c1 ZINC001492626540 1066698081 /nfs/dbraw/zinc/69/80/81/1066698081.db2.gz POIOHESYXYUNFU-UHFFFAOYSA-N 0 0 456.566 4.829 20 0 JJADRN Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001492626688 1066698100 /nfs/dbraw/zinc/69/81/00/1066698100.db2.gz RHVVSHLXJAFNBB-HSZRJFAPSA-N 0 0 471.049 4.675 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC001456811597 1066698517 /nfs/dbraw/zinc/69/85/17/1066698517.db2.gz VLQYSAXQPVNGRX-GGBBIFEXSA-N 0 0 455.368 4.738 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc3c(c1)C(C)(C)CCC3(C)C)CCC2 ZINC001456811423 1066698648 /nfs/dbraw/zinc/69/86/48/1066698648.db2.gz BZYQMDYJCUUMEL-UHFFFAOYSA-N 0 0 454.636 4.879 20 0 JJADRN CC(C)c1c(C(=O)NCCOc2ncccc2C(F)(F)F)cnn1-c1ccccc1Cl ZINC001446378699 1066698593 /nfs/dbraw/zinc/69/85/93/1066698593.db2.gz VESUWFYCYVFOEU-UHFFFAOYSA-N 0 0 452.864 4.872 20 0 JJADRN Cc1cnn(CCn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001492627259 1066698694 /nfs/dbraw/zinc/69/86/94/1066698694.db2.gz SBELPKFVONOVDM-GDBMZVCRSA-N 0 0 483.336 4.547 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492627108 1066698782 /nfs/dbraw/zinc/69/87/82/1066698782.db2.gz MWVXZSJJGXTYQH-HUUCEWRRSA-N 0 0 461.383 4.534 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)c3cccc(Nc4nccc(C(F)(F)F)n4)c3)c2)n1C ZINC001446384025 1066699864 /nfs/dbraw/zinc/69/98/64/1066699864.db2.gz CCVQVOFIDOWFMZ-UHFFFAOYSA-N 0 0 453.428 4.595 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(-c3ccc(Cl)cc3Cl)nnc1N(C)CCCCCO)CCC2 ZINC001492628670 1066700022 /nfs/dbraw/zinc/70/00/22/1066700022.db2.gz KBZSLXRPBMTPEW-KRWDZBQOSA-N 0 0 477.440 4.933 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cnn(C(C)C)c1Br)c1ccc(C(C)(C)C)cc1 ZINC001456815667 1066699992 /nfs/dbraw/zinc/69/99/92/1066699992.db2.gz VKJQMOSWZGRBLR-KRWDZBQOSA-N 0 0 450.377 4.558 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccco2)Cc2ccccc2)s1 ZINC001492628678 1066700115 /nfs/dbraw/zinc/70/01/15/1066700115.db2.gz KJDJTDMDGRGNMO-SFHVURJKSA-N 0 0 478.622 4.785 20 0 JJADRN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(I)c[nH]1 ZINC001446386860 1066700293 /nfs/dbraw/zinc/70/02/93/1066700293.db2.gz WFQZMVGKVKDYFM-YCRPNKLZSA-N 0 0 456.327 4.838 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)c1ccc(Cn2cncn2)cc1 ZINC001456818961 1066700461 /nfs/dbraw/zinc/70/04/61/1066700461.db2.gz JKFIEZFPHMOUOD-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492629507 1066701505 /nfs/dbraw/zinc/70/15/05/1066701505.db2.gz CFWOKJGRBZDHKT-DLBZAZTESA-N 0 0 487.695 4.790 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492629489 1066701531 /nfs/dbraw/zinc/70/15/31/1066701531.db2.gz CCGVIZCQMUVXMC-AZUAARDMSA-N 0 0 480.682 4.892 20 0 JJADRN Cc1nc(CSCC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cs1 ZINC001446394365 1066701567 /nfs/dbraw/zinc/70/15/67/1066701567.db2.gz YXXDKOQSVKMQFA-LJQANCHMSA-N 0 0 454.543 4.907 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)C[C@H](C)N1CC(F)(F)F ZINC001456825294 1066701761 /nfs/dbraw/zinc/70/17/61/1066701761.db2.gz HQKJCAIPVALEJF-CALCHBBNSA-N 0 0 457.496 4.506 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546085116 1066702239 /nfs/dbraw/zinc/70/22/39/1066702239.db2.gz DZKOLOYQYPUAFQ-XMSQKQJNSA-N 0 0 483.426 4.913 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456828295 1066702433 /nfs/dbraw/zinc/70/24/33/1066702433.db2.gz LEAAMNQLFJOZDK-OTWHNJEPSA-N 0 0 455.640 4.610 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccnc(Oc3ccccc3Br)c2)[C@H]1c1cccnc1 ZINC001456827932 1066702465 /nfs/dbraw/zinc/70/24/65/1066702465.db2.gz ZAAGLGRVUWGBHV-HTAPYJJXSA-N 0 0 481.350 4.580 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCn2cccn2)s1 ZINC001492629910 1066702539 /nfs/dbraw/zinc/70/25/39/1066702539.db2.gz JTACZMWDADYCHU-WMZOPIPTSA-N 0 0 486.045 4.973 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)s1 ZINC001492629977 1066703028 /nfs/dbraw/zinc/70/30/28/1066703028.db2.gz LGPYDRWAVFCBMN-NEWSRXKRSA-N 0 0 474.675 4.806 20 0 JJADRN C[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)Cc1ccccc1 ZINC001446424180 1066703615 /nfs/dbraw/zinc/70/36/15/1066703615.db2.gz DIEZJBNLCNKPMU-GAJHUEQPSA-N 0 0 452.348 4.886 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC001492630296 1066703956 /nfs/dbraw/zinc/70/39/56/1066703956.db2.gz RIXLLAUGDZSEMY-WBVHZDCISA-N 0 0 488.061 4.874 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492630339 1066704179 /nfs/dbraw/zinc/70/41/79/1066704179.db2.gz SDGDNURSGZVONQ-KRWDZBQOSA-N 0 0 497.669 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC001446425655 1066704213 /nfs/dbraw/zinc/70/42/13/1066704213.db2.gz SBADYSROJWRFTK-DEOSSOPVSA-N 0 0 450.579 4.729 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492630446 1066704646 /nfs/dbraw/zinc/70/46/46/1066704646.db2.gz UMDYFNYZSUNHAZ-UZLBHIALSA-N 0 0 473.668 4.542 20 0 JJADRN Cc1noc2ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)cc12 ZINC001456840904 1066704520 /nfs/dbraw/zinc/70/45/20/1066704520.db2.gz MSBAUVAUGNBPGH-MRXNPFEDSA-N 0 0 450.417 4.755 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCc3cc(Br)ccc32)cs1 ZINC001446428029 1066704715 /nfs/dbraw/zinc/70/47/15/1066704715.db2.gz BMAGDCTZEDAVEP-NSHDSACASA-N 0 0 452.374 4.694 20 0 JJADRN CCC[C@@H](C(=O)N[C@H]1COC(C)(C)C1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001456843750 1066705077 /nfs/dbraw/zinc/70/50/77/1066705077.db2.gz DPMBVGXOJSMOMC-KOSHJBKYSA-N 0 0 450.579 4.720 20 0 JJADRN C[C@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)C(=O)Cc1ccccc1 ZINC001446432525 1066705070 /nfs/dbraw/zinc/70/50/70/1066705070.db2.gz SIHQLBPLOAGLFM-NRFANRHFSA-N 0 0 450.579 4.570 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1O)CCC2 ZINC001446429712 1066705155 /nfs/dbraw/zinc/70/51/55/1066705155.db2.gz OIDFWLPCCMSCIY-QFIPXVFZSA-N 0 0 452.457 4.739 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)CCCC(=O)c2ccc(Br)cc2)CCCCC1 ZINC001456847639 1066705291 /nfs/dbraw/zinc/70/52/91/1066705291.db2.gz BSLHZXQGXBWCID-UHFFFAOYSA-N 0 0 452.389 4.963 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCc3cc(Br)ccc32)s1 ZINC001446431486 1066705298 /nfs/dbraw/zinc/70/52/98/1066705298.db2.gz JNPOQEYJTYZOIX-UHFFFAOYSA-N 0 0 452.374 4.775 20 0 JJADRN CC(C)(CO)[C@@H](CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC001446430789 1066705313 /nfs/dbraw/zinc/70/53/13/1066705313.db2.gz WEEOZKCHUQKTDV-NRFANRHFSA-N 0 0 459.011 4.837 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1cc(Br)cc(Br)c1N)CCC2 ZINC001446433067 1066705570 /nfs/dbraw/zinc/70/55/70/1066705570.db2.gz VOBLXESKSWZPEB-INIZCTEOSA-N 0 0 454.162 4.610 20 0 JJADRN Cc1ccc(C)c(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c1 ZINC001456851466 1066705601 /nfs/dbraw/zinc/70/56/01/1066705601.db2.gz HBHXVOSALVSERB-UHFFFAOYSA-N 0 0 454.636 4.888 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492630875 1066706127 /nfs/dbraw/zinc/70/61/27/1066706127.db2.gz BRRPHHPXSYKUPH-GOSISDBHSA-N 0 0 476.691 4.740 20 0 JJADRN Cc1cc(O)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001446459262 1066706186 /nfs/dbraw/zinc/70/61/86/1066706186.db2.gz LCZGFOCDPIHCRF-UHFFFAOYSA-N 0 0 454.939 4.985 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)ccc1O ZINC001446463659 1066706818 /nfs/dbraw/zinc/70/68/18/1066706818.db2.gz UZDMYKJJSRXYKO-UHFFFAOYSA-N 0 0 456.951 4.748 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1 ZINC001446467308 1066706865 /nfs/dbraw/zinc/70/68/65/1066706865.db2.gz LSKXXAAIWANWLZ-CYBMUJFWSA-N 0 0 451.748 4.607 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(O)c(Cl)c2)C1 ZINC001446467309 1066706902 /nfs/dbraw/zinc/70/69/02/1066706902.db2.gz LSKXXAAIWANWLZ-ZDUSSCGKSA-N 0 0 451.748 4.607 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1)c1ccccc1 ZINC001456857163 1066706838 /nfs/dbraw/zinc/70/68/38/1066706838.db2.gz XBOQELIRWDYBGD-RUZDIDTESA-N 0 0 455.514 4.582 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001446463676 1066706972 /nfs/dbraw/zinc/70/69/72/1066706972.db2.gz ZMNNMYGVNKBKJY-OAHLLOKOSA-N 0 0 457.552 4.537 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)s1 ZINC001492631252 1066707203 /nfs/dbraw/zinc/70/72/03/1066707203.db2.gz IDBYUVHBMBDLME-OAHLLOKOSA-N 0 0 454.550 4.747 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)s1 ZINC001492631251 1066707283 /nfs/dbraw/zinc/70/72/83/1066707283.db2.gz IDBYUVHBMBDLME-HNNXBMFYSA-N 0 0 454.550 4.747 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC001456859677 1066707348 /nfs/dbraw/zinc/70/73/48/1066707348.db2.gz FBBPNBJAPWNKNP-KRWDZBQOSA-N 0 0 454.388 4.888 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC001545986257 1066707453 /nfs/dbraw/zinc/70/74/53/1066707453.db2.gz CBRPDKVYLFHQLO-YFVAEKQCSA-N 0 0 473.618 4.726 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492631418 1066707841 /nfs/dbraw/zinc/70/78/41/1066707841.db2.gz KLYOORZASMPKKM-RHSMWYFYSA-N 0 0 476.444 4.750 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1)OC ZINC001545986393 1066708058 /nfs/dbraw/zinc/70/80/58/1066708058.db2.gz FELWYVLWFRVGQF-TZIWHRDSSA-N 0 0 463.667 4.833 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC001456861377 1066708329 /nfs/dbraw/zinc/70/83/29/1066708329.db2.gz LDFPZEYQUINIOA-KRWDZBQOSA-N 0 0 451.523 4.529 20 0 JJADRN COCCCOc1ccc(C(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)cn1 ZINC001456861993 1066708435 /nfs/dbraw/zinc/70/84/35/1066708435.db2.gz LKCVQKPCDKBRDG-XMMPIXPASA-N 0 0 454.954 4.987 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CCOCC2)s1 ZINC001492631615 1066708400 /nfs/dbraw/zinc/70/84/00/1066708400.db2.gz OJCJLLQXMMMJDQ-INIZCTEOSA-N 0 0 460.047 4.954 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631453 1066708438 /nfs/dbraw/zinc/70/84/38/1066708438.db2.gz KXLGYBIWEGJFSH-SJLPKXTDSA-N 0 0 474.675 4.855 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986487 1066708549 /nfs/dbraw/zinc/70/85/49/1066708549.db2.gz GKRAYNCUDRGNEN-TZIWHRDSSA-N 0 0 493.574 4.608 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OCc3ccccc3)CC2)s1 ZINC001492631572 1066708505 /nfs/dbraw/zinc/70/85/05/1066708505.db2.gz NMRLQWYGRRUXLY-LJQANCHMSA-N 0 0 496.681 4.894 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001456862775 1066709029 /nfs/dbraw/zinc/70/90/29/1066709029.db2.gz FSGBSAJHQCJGTH-UHFFFAOYSA-N 0 0 453.695 4.891 20 0 JJADRN CC(=O)Nc1nc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cs1 ZINC001456862680 1066709176 /nfs/dbraw/zinc/70/91/76/1066709176.db2.gz NDYXJSPQKKTZLI-NRFANRHFSA-N 0 0 458.381 4.752 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545986774 1066709199 /nfs/dbraw/zinc/70/91/99/1066709199.db2.gz KBXDOCAOSFSAFV-CEXWTWQISA-N 0 0 467.680 4.545 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1)OC ZINC001545986698 1066709209 /nfs/dbraw/zinc/70/92/09/1066709209.db2.gz JEJFNQAAYVILIL-RBBKRZOGSA-N 0 0 487.620 4.519 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001446483682 1066709683 /nfs/dbraw/zinc/70/96/83/1066709683.db2.gz DHCSIKYNHNPNJF-NQIIRXRSSA-N 0 0 456.949 4.912 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC001492632023 1066709818 /nfs/dbraw/zinc/70/98/18/1066709818.db2.gz VZYYYMAWRUZSSD-GOSISDBHSA-N 0 0 498.672 4.717 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC001492632024 1066709964 /nfs/dbraw/zinc/70/99/64/1066709964.db2.gz VZYYYMAWRUZSSD-SFHVURJKSA-N 0 0 498.672 4.717 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCC(NC(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)s1 ZINC001492632353 1066710372 /nfs/dbraw/zinc/71/03/72/1066710372.db2.gz CKEFBYGOIOEJPG-INIZCTEOSA-N 0 0 484.645 4.682 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001492632335 1066710473 /nfs/dbraw/zinc/71/04/73/1066710473.db2.gz CDVLKBNPWUVYHI-GLJUWKHASA-N 0 0 496.464 4.940 20 0 JJADRN Cc1ccc(-n2c(NC(=O)[C@@H](C)Oc3cccnc3)nc3cc(Br)ccc32)cc1 ZINC001456869247 1066710525 /nfs/dbraw/zinc/71/05/25/1066710525.db2.gz RYXQDCFPKCFXJY-OAHLLOKOSA-N 0 0 451.324 4.897 20 0 JJADRN COc1ccc(OC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1OC ZINC001456869277 1066710656 /nfs/dbraw/zinc/71/06/56/1066710656.db2.gz XFHQHRBSJXFIEK-UHFFFAOYSA-N 0 0 457.324 4.750 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)s1 ZINC001492632464 1066710973 /nfs/dbraw/zinc/71/09/73/1066710973.db2.gz FOZDVXWJTXHJRO-XOYOTBSWSA-N 0 0 492.715 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001446499356 1066711284 /nfs/dbraw/zinc/71/12/84/1066711284.db2.gz RVSVNMFQGONUCS-OAHLLOKOSA-N 0 0 452.477 4.867 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001446502803 1066711346 /nfs/dbraw/zinc/71/13/46/1066711346.db2.gz WRFITUWOQOATQC-MRXNPFEDSA-N 0 0 457.456 4.774 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492632504 1066711468 /nfs/dbraw/zinc/71/14/68/1066711468.db2.gz GSJNZMSDQLXODS-AWEZNQCLSA-N 0 0 469.577 4.927 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492632977 1066712460 /nfs/dbraw/zinc/71/24/60/1066712460.db2.gz RLOFYPHSIFRSRT-OXJNMPFZSA-N 0 0 473.618 4.816 20 0 JJADRN COC(=O)C[C@H]1CCCN1C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001446513433 1066712840 /nfs/dbraw/zinc/71/28/40/1066712840.db2.gz FFWMRWOHGCYOAX-MRXNPFEDSA-N 0 0 450.322 4.805 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)C[C@H](C)c3nccs3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633111 1066713024 /nfs/dbraw/zinc/71/30/24/1066713024.db2.gz UWGMSLAHMYPXES-MFEFFIJZSA-N 0 0 490.699 4.584 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCC[C@H](C(=O)N2CCC3(C2)CCCCC3)C1 ZINC001456880897 1066713241 /nfs/dbraw/zinc/71/32/41/1066713241.db2.gz UIVUNHLDHBKBGT-KRWDZBQOSA-N 0 0 451.380 4.623 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)c(C)c1 ZINC001456879801 1066713340 /nfs/dbraw/zinc/71/33/40/1066713340.db2.gz GJIUJPKXUSLRHT-VGSWGCGISA-N 0 0 458.624 4.605 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)CC2)c(C)c1 ZINC001456879793 1066713356 /nfs/dbraw/zinc/71/33/56/1066713356.db2.gz GJIUJPKXUSLRHT-VGOFRKELSA-N 0 0 458.624 4.605 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(=O)Nc3c(C)cccc3C)CC2)s1 ZINC001492633130 1066713610 /nfs/dbraw/zinc/71/36/10/1066713610.db2.gz VFHJQWXHMYKWOH-UHFFFAOYSA-N 0 0 466.655 4.980 20 0 JJADRN CC[C@]1(C(=O)N(C)Cc2cc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C ZINC001446516026 1066713643 /nfs/dbraw/zinc/71/36/43/1066713643.db2.gz QMVXMJWAOPJFGY-OAQYLSRUSA-N 0 0 455.393 4.596 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC001456884540 1066713766 /nfs/dbraw/zinc/71/37/66/1066713766.db2.gz XXPXHANANHYXCT-IBGZPJMESA-N 0 0 459.550 4.909 20 0 JJADRN CCCc1ncc(C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)s1 ZINC001456884310 1066713821 /nfs/dbraw/zinc/71/38/21/1066713821.db2.gz KCELNDMVMHKJNV-OSPHWJPCSA-N 0 0 457.596 4.729 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(Br)cc3)nnc2Nc2cnn(C)c2)s1 ZINC001492633343 1066713923 /nfs/dbraw/zinc/71/39/23/1066713923.db2.gz YSTASJMSDADHGF-CYBMUJFWSA-N 0 0 488.415 4.665 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1 ZINC001446519535 1066714150 /nfs/dbraw/zinc/71/41/50/1066714150.db2.gz NXHPTZNRUMKWMX-YADHBBJMSA-N 0 0 456.011 4.879 20 0 JJADRN CC(C)[C@H]1CCc2nc(NC(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)sc2C1 ZINC001456887828 1066714280 /nfs/dbraw/zinc/71/42/80/1066714280.db2.gz NHINCVJFFZQIFR-ZDUSSCGKSA-N 0 0 450.630 4.680 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c(F)cc1F ZINC001456885872 1066714299 /nfs/dbraw/zinc/71/42/99/1066714299.db2.gz MBVMVXRNWQKJGC-CJFMBICVSA-N 0 0 458.505 4.906 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c(F)cc1F ZINC001456885876 1066714358 /nfs/dbraw/zinc/71/43/58/1066714358.db2.gz MBVMVXRNWQKJGC-NLFFAJNJSA-N 0 0 458.505 4.906 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(COc4ccccc4F)n3CCCOC(C)C)CC2)s1 ZINC001492633815 1066714452 /nfs/dbraw/zinc/71/44/52/1066714452.db2.gz PSPASGLEMJQIJP-UHFFFAOYSA-N 0 0 473.618 4.960 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@](C)(OC)C2CC2)CCO1 ZINC001546085443 1066714777 /nfs/dbraw/zinc/71/47/77/1066714777.db2.gz LLXXDLQJYBPPMB-PKTZIBPZSA-N 0 0 493.446 4.537 20 0 JJADRN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456887912 1066714931 /nfs/dbraw/zinc/71/49/31/1066714931.db2.gz NSEXPUZJBAWZBI-YZIHRLCOSA-N 0 0 458.599 4.744 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CC4)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633476 1066714919 /nfs/dbraw/zinc/71/49/19/1066714919.db2.gz COOSQRDZBVXHTJ-MRXNPFEDSA-N 0 0 474.675 4.807 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cccc(C)c2I)c1C ZINC001456891563 1066715221 /nfs/dbraw/zinc/71/52/21/1066715221.db2.gz OCACBTHCIDPHDD-UHFFFAOYSA-N 0 0 453.320 4.713 20 0 JJADRN C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456890589 1066715344 /nfs/dbraw/zinc/71/53/44/1066715344.db2.gz QWRTUEYCSSPCLD-JQXZYWDBSA-N 0 0 450.579 4.885 20 0 JJADRN O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446524917 1066715226 /nfs/dbraw/zinc/71/52/26/1066715226.db2.gz ACUALAZNIKNWPL-AHWVRZQESA-N 0 0 452.957 4.836 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3Cc3ncccc3N(C)C)CC2)s1 ZINC001492633935 1066715430 /nfs/dbraw/zinc/71/54/30/1066715430.db2.gz UUAVNFPJKCCSHX-UHFFFAOYSA-N 0 0 453.660 4.525 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@@H]3CCCO3)CC2)s1 ZINC001492633871 1066715611 /nfs/dbraw/zinc/71/56/11/1066715611.db2.gz RUWJJMBLZZPOEV-FQEVSTJZSA-N 0 0 461.676 4.601 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCC[C@@H]2C(C)(C)O)s1 ZINC001446526481 1066715897 /nfs/dbraw/zinc/71/58/97/1066715897.db2.gz NIESDWOOLCFWCF-OAQYLSRUSA-N 0 0 451.592 4.867 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001492634009 1066715941 /nfs/dbraw/zinc/71/59/41/1066715941.db2.gz XIFJDYBHJDQALP-CVEARBPZSA-N 0 0 455.990 4.602 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)OCc3ccccc3)c2)cc1C ZINC001446527411 1066715956 /nfs/dbraw/zinc/71/59/56/1066715956.db2.gz AOZJKCKCRATLRN-UHFFFAOYSA-N 0 0 458.967 4.961 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCO)CCO1 ZINC001546085503 1066716324 /nfs/dbraw/zinc/71/63/24/1066716324.db2.gz MHXOHANLZJOGJV-FQEVSTJZSA-N 0 0 471.827 4.529 20 0 JJADRN O=C(N1CCOc2c(Cl)cc(Br)cc2C1)C(F)(F)c1c(F)cccc1F ZINC001456896658 1066716355 /nfs/dbraw/zinc/71/63/55/1066716355.db2.gz PQADDTZLQNIAHJ-UHFFFAOYSA-N 0 0 452.629 4.894 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc2c1ccn2C ZINC001446531510 1066716661 /nfs/dbraw/zinc/71/66/61/1066716661.db2.gz VJLPJOWOJHUBQB-UHFFFAOYSA-N 0 0 456.612 4.673 20 0 JJADRN CCCc1c(C(=O)Oc2ccc(OCC(=O)OCC)cc2)nnn1-c1cccc(C(C)C)c1 ZINC001456897378 1066716877 /nfs/dbraw/zinc/71/68/77/1066716877.db2.gz RBQRFAWHWPRUSO-UHFFFAOYSA-N 0 0 451.523 4.504 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOCC1CC1 ZINC001492634667 1066717123 /nfs/dbraw/zinc/71/71/23/1066717123.db2.gz VHHILJQICOTZFS-UHFFFAOYSA-N 0 0 465.417 4.890 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492634419 1066717135 /nfs/dbraw/zinc/71/71/35/1066717135.db2.gz NFQTYYRLEYJEMQ-UHFFFAOYSA-N 0 0 489.805 4.989 20 0 JJADRN O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1cnc2cc(F)c(F)cc2c1O ZINC001456899714 1066717333 /nfs/dbraw/zinc/71/73/33/1066717333.db2.gz DQVLYNQWQNVMPY-UHFFFAOYSA-N 0 0 455.364 4.609 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)c1cccs1 ZINC001492634741 1066717701 /nfs/dbraw/zinc/71/77/01/1066717701.db2.gz XCXKEKZNLCNYDV-QGZVFWFLSA-N 0 0 499.662 4.712 20 0 JJADRN CN(C(=O)CCc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001446534439 1066717682 /nfs/dbraw/zinc/71/76/82/1066717682.db2.gz ZTCRZISCLFYFEE-XYPWUTKMSA-N 0 0 457.434 4.832 20 0 JJADRN Cc1cc(C)n(CCC(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)n1 ZINC001456904769 1066717881 /nfs/dbraw/zinc/71/78/81/1066717881.db2.gz KOKWPZIVOFMHMF-UHFFFAOYSA-N 0 0 452.356 4.689 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001492635249 1066718378 /nfs/dbraw/zinc/71/83/78/1066718378.db2.gz LVHNXHQGRAXJKQ-ILZDJORESA-N 0 0 457.619 4.885 20 0 JJADRN CSc1cc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)ccc1Br ZINC001456910595 1066719024 /nfs/dbraw/zinc/71/90/24/1066719024.db2.gz BXIXPAQMZBRSGR-KRWDZBQOSA-N 0 0 459.203 4.571 20 0 JJADRN Cc1coc(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001492635976 1066719375 /nfs/dbraw/zinc/71/93/75/1066719375.db2.gz HHGDOVYXWAABGF-UHFFFAOYSA-N 0 0 488.057 4.964 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987278 1066719386 /nfs/dbraw/zinc/71/93/86/1066719386.db2.gz RFZOFUSNKQIYLD-XPWALMASSA-N 0 0 483.657 4.544 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1OCC ZINC001456911830 1066719545 /nfs/dbraw/zinc/71/95/45/1066719545.db2.gz CPVNISVEPZJHCC-UHFFFAOYSA-N 0 0 453.627 4.613 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001492636026 1066719947 /nfs/dbraw/zinc/71/99/47/1066719947.db2.gz ITSIQNGJAUUOFZ-GJZGRUSLSA-N 0 0 459.388 4.970 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@@H](CC)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001456913149 1066720023 /nfs/dbraw/zinc/72/00/23/1066720023.db2.gz JFLNFCUACNMKRK-GHTZIAJQSA-N 0 0 450.501 4.809 20 0 JJADRN Cc1cc(Br)c(CC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)s1 ZINC001456913441 1066720121 /nfs/dbraw/zinc/72/01/21/1066720121.db2.gz OOOVNPZJVUDPQJ-UHFFFAOYSA-N 0 0 452.765 4.507 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nnc1-c1ccco1 ZINC001446551931 1066720088 /nfs/dbraw/zinc/72/00/88/1066720088.db2.gz HWTUIXFDAXEKPF-WOJBJXKFSA-N 0 0 454.596 4.545 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 ZINC001446552057 1066720107 /nfs/dbraw/zinc/72/01/07/1066720107.db2.gz GMAGUXNQJOIUMI-UHFFFAOYSA-N 0 0 458.898 4.531 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001446552182 1066720165 /nfs/dbraw/zinc/72/01/65/1066720165.db2.gz HGWMQQWWFVSVBP-HSZRJFAPSA-N 0 0 452.938 4.535 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CCCO)CC2)n1 ZINC001492636292 1066720466 /nfs/dbraw/zinc/72/04/66/1066720466.db2.gz BCYQAHDIOMKQCP-LJQANCHMSA-N 0 0 496.681 4.705 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001446553588 1066720617 /nfs/dbraw/zinc/72/06/17/1066720617.db2.gz KXIZCDHWNDACHN-VLHNATBGSA-N 0 0 450.623 4.804 20 0 JJADRN CC[C@H](NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1)c1nc(C(F)(F)F)cs1 ZINC001456916063 1066720706 /nfs/dbraw/zinc/72/07/06/1066720706.db2.gz MQYCLPFQEFCBDU-HNNXBMFYSA-N 0 0 453.442 4.813 20 0 JJADRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001446566245 1066721056 /nfs/dbraw/zinc/72/10/56/1066721056.db2.gz LBXMBCLFEDOAEM-FOIQADDNSA-N 0 0 458.580 4.860 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[C@H](COCc2ccccc2)C1 ZINC001456917839 1066721362 /nfs/dbraw/zinc/72/13/62/1066721362.db2.gz VILVDYJAUGXSSW-IBGZPJMESA-N 0 0 456.995 4.983 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC001545987424 1066721702 /nfs/dbraw/zinc/72/17/02/1066721702.db2.gz SRGJHAGMSDBFBA-RXVVDRJESA-N 0 0 493.574 4.608 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)C1 ZINC001456919614 1066721689 /nfs/dbraw/zinc/72/16/89/1066721689.db2.gz IKRJRZFLXNTBDX-RBUKOAKNSA-N 0 0 455.653 4.780 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001492636551 1066721767 /nfs/dbraw/zinc/72/17/67/1066721767.db2.gz UXQJOFKLBMHVRO-UHFFFAOYSA-N 0 0 453.493 4.760 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2C(F)(F)F)n1 ZINC001492636825 1066722054 /nfs/dbraw/zinc/72/20/54/1066722054.db2.gz GKFCMLJBMYEFSU-CQSZACIVSA-N 0 0 480.560 4.640 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492636854 1066722136 /nfs/dbraw/zinc/72/21/36/1066722136.db2.gz GZCMDNBTPKCHGH-OVQGTLEDSA-N 0 0 469.655 4.811 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2C(F)(F)F)n1 ZINC001492636824 1066722166 /nfs/dbraw/zinc/72/21/66/1066722166.db2.gz GKFCMLJBMYEFSU-AWEZNQCLSA-N 0 0 480.560 4.640 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)n1 ZINC001492636934 1066722623 /nfs/dbraw/zinc/72/26/23/1066722623.db2.gz IAQBIABNYFRFAX-LBPRGKRZSA-N 0 0 481.489 4.936 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)c2ccc(F)cc2F)[C@@H]1c1ccc(OC)cc1 ZINC001456921977 1066722781 /nfs/dbraw/zinc/72/27/81/1066722781.db2.gz OEDLYOXLAVSLRO-WVBBGBOVSA-N 0 0 458.549 4.973 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492637314 1066723142 /nfs/dbraw/zinc/72/31/42/1066723142.db2.gz OQPSUSPPSBDULY-QFIPXVFZSA-N 0 0 497.644 4.595 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@@H]1c1ccc(OC)cc1 ZINC001456921950 1066723089 /nfs/dbraw/zinc/72/30/89/1066723089.db2.gz OEDLYOXLAVSLRO-MCCOCYNGSA-N 0 0 458.549 4.973 20 0 JJADRN CCCCSc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1C(F)(F)F ZINC001446582730 1066723349 /nfs/dbraw/zinc/72/33/49/1066723349.db2.gz YEAWBVDIKZAZPK-UHFFFAOYSA-N 0 0 451.514 4.591 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)nn1-c1ccccc1Br ZINC001456926460 1066723393 /nfs/dbraw/zinc/72/33/93/1066723393.db2.gz RLPRIOXKXCOKLB-GOSISDBHSA-N 0 0 453.384 4.650 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)n1 ZINC001492637401 1066723614 /nfs/dbraw/zinc/72/36/14/1066723614.db2.gz QPXJCZICGVDNIA-PXNSSMCTSA-N 0 0 455.628 4.830 20 0 JJADRN CO[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(Cl)cc1 ZINC001456928974 1066724345 /nfs/dbraw/zinc/72/43/45/1066724345.db2.gz ZJZPRTHBGBXNCT-OAHLLOKOSA-N 0 0 459.255 4.710 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCCC2)n1 ZINC001492637697 1066724527 /nfs/dbraw/zinc/72/45/27/1066724527.db2.gz XPRDRBZCMXUBFK-INIZCTEOSA-N 0 0 473.668 4.544 20 0 JJADRN CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001446589541 1066724516 /nfs/dbraw/zinc/72/45/16/1066724516.db2.gz SIHKKNLGAGXVQP-SFHVURJKSA-N 0 0 458.971 4.662 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545987548 1066724639 /nfs/dbraw/zinc/72/46/39/1066724639.db2.gz ULGDDUMEHLGXJP-RZUBCFFCSA-N 0 0 487.620 4.608 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)n1 ZINC001492637901 1066725048 /nfs/dbraw/zinc/72/50/48/1066725048.db2.gz AWOGSTFBLSIMKH-HKUYNNGSSA-N 0 0 490.674 4.536 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(Cl)=C(Cl)C2)n1 ZINC001492637991 1066725073 /nfs/dbraw/zinc/72/50/73/1066725073.db2.gz BOIIPQIYUMEOAK-GFCCVEGCSA-N 0 0 466.442 4.608 20 0 JJADRN O=C(NCc1ccc(CCO)cc1)c1cccnc1SCc1cccc(Br)c1 ZINC001456931011 1066725090 /nfs/dbraw/zinc/72/50/90/1066725090.db2.gz CSONLUBCGBNYMG-UHFFFAOYSA-N 0 0 457.393 4.601 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001456935022 1066725509 /nfs/dbraw/zinc/72/55/09/1066725509.db2.gz FJUWOUMCSLQMPP-JOCHJYFZSA-N 0 0 452.501 4.901 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(CC1CC1)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545987681 1066725584 /nfs/dbraw/zinc/72/55/84/1066725584.db2.gz VNYKGHQNQCJOEF-SFTDATJTSA-N 0 0 461.651 4.840 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)CCO1 ZINC001546085677 1066726012 /nfs/dbraw/zinc/72/60/12/1066726012.db2.gz PVYQHNCNQVWFSC-IBGZPJMESA-N 0 0 457.438 4.590 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001446615835 1066726227 /nfs/dbraw/zinc/72/62/27/1066726227.db2.gz NXOOXZFVSFEOOV-LJQANCHMSA-N 0 0 450.922 4.894 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 ZINC001492638394 1066726523 /nfs/dbraw/zinc/72/65/23/1066726523.db2.gz FTYOCGCCUQWNSP-WXTAPIANSA-N 0 0 496.681 4.640 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cc(Br)ccc1F ZINC001456939724 1066726526 /nfs/dbraw/zinc/72/65/26/1066726526.db2.gz ZKNDZPYKSYOLEH-RDTXWAMCSA-N 0 0 457.384 4.815 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492638442 1066726692 /nfs/dbraw/zinc/72/66/92/1066726692.db2.gz HQBTVPBFLVJMCD-HNNXBMFYSA-N 0 0 484.617 4.573 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456943161 1066727017 /nfs/dbraw/zinc/72/70/17/1066727017.db2.gz SASOICOATRQENT-HNNXBMFYSA-N 0 0 458.411 4.705 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1)c1cccs1 ZINC001456941039 1066727058 /nfs/dbraw/zinc/72/70/58/1066727058.db2.gz PZNDAHJUOBNLPD-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)n1 ZINC001492638749 1066727068 /nfs/dbraw/zinc/72/70/68/1066727068.db2.gz IWTJSHFBFPAPJA-HKUYNNGSSA-N 0 0 492.690 4.637 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 ZINC001456946015 1066727553 /nfs/dbraw/zinc/72/75/53/1066727553.db2.gz ZUMTUWCTFHPSMQ-LJQANCHMSA-N 0 0 459.514 4.592 20 0 JJADRN CN(C)c1ncnc2c1cc(C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)n2C ZINC001446641149 1066727762 /nfs/dbraw/zinc/72/77/62/1066727762.db2.gz HEQYURIAWRVILQ-FQEVSTJZSA-N 0 0 454.361 4.861 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1)NC(=O)OC(C)(C)C ZINC001545987882 1066727834 /nfs/dbraw/zinc/72/78/34/1066727834.db2.gz YDODXDCKKBWSJR-NRFANRHFSA-N 0 0 498.672 4.574 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C)[C@@H]2C)n1 ZINC001492639117 1066728088 /nfs/dbraw/zinc/72/80/88/1066728088.db2.gz NPSKFRXONJBXFV-NZSAHSFTSA-N 0 0 457.669 4.798 20 0 JJADRN COc1cc(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)cc(NC(C)=O)c1OC ZINC001456947775 1066728111 /nfs/dbraw/zinc/72/81/11/1066728111.db2.gz OQICDXFSHWHTFX-UHFFFAOYSA-N 0 0 458.518 4.870 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(F)cc2)n1 ZINC001492638992 1066728280 /nfs/dbraw/zinc/72/82/80/1066728280.db2.gz KZFAVYZLPZOGQP-MRXNPFEDSA-N 0 0 452.559 4.563 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001446643071 1066728322 /nfs/dbraw/zinc/72/83/22/1066728322.db2.gz QMSBWKPRTPISCM-AYVTZFPOSA-N 0 0 455.210 4.810 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC001456951056 1066728648 /nfs/dbraw/zinc/72/86/48/1066728648.db2.gz LGNIDFJFZKVFTI-GOSISDBHSA-N 0 0 458.493 4.520 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001456952291 1066728707 /nfs/dbraw/zinc/72/87/07/1066728707.db2.gz ORDDFESHTMYVBG-GOSISDBHSA-N 0 0 457.412 4.855 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1OC ZINC001446649307 1066728782 /nfs/dbraw/zinc/72/87/82/1066728782.db2.gz AULXKRJWAJMGMI-YXJHDRRASA-N 0 0 452.979 4.513 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001456954700 1066729275 /nfs/dbraw/zinc/72/92/75/1066729275.db2.gz AAQFPTAAUQZCSN-UHFFFAOYSA-N 0 0 458.502 4.649 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@@H]21 ZINC001446651614 1066729331 /nfs/dbraw/zinc/72/93/31/1066729331.db2.gz GIMXVOAZBDYAMP-AEGPPILISA-N 0 0 450.992 4.557 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)Cc3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492639668 1066729312 /nfs/dbraw/zinc/72/93/12/1066729312.db2.gz RYCFXYXSKPGJGR-OPAMFIHVSA-N 0 0 461.657 4.585 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)n1 ZINC001492639813 1066729665 /nfs/dbraw/zinc/72/96/65/1066729665.db2.gz SYXRZKXANZNCOC-PXNSSMCTSA-N 0 0 497.669 4.950 20 0 JJADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1SC(F)(F)F ZINC001456958899 1066729679 /nfs/dbraw/zinc/72/96/79/1066729679.db2.gz MALHYTKEMCFZSU-QGZVFWFLSA-N 0 0 456.555 4.775 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492639877 1066729711 /nfs/dbraw/zinc/72/97/11/1066729711.db2.gz USKGZNBCTUIAOD-INIZCTEOSA-N 0 0 461.607 4.816 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC001492639967 1066729750 /nfs/dbraw/zinc/72/97/50/1066729750.db2.gz SMYVFKQGMNKPAV-KRWDZBQOSA-N 0 0 497.669 4.650 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)n1 ZINC001492639814 1066729764 /nfs/dbraw/zinc/72/97/64/1066729764.db2.gz SYXRZKXANZNCOC-XLIONFOSSA-N 0 0 497.669 4.950 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1nc(C2CCCCC2)no1 ZINC001456960855 1066730218 /nfs/dbraw/zinc/73/02/18/1066730218.db2.gz LWOSXCPODCRMRS-KRWDZBQOSA-N 0 0 453.564 4.582 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492640095 1066730184 /nfs/dbraw/zinc/73/01/84/1066730184.db2.gz WXMZAXRNSCVPBD-DOTOQJQBSA-N 0 0 462.019 4.694 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492640116 1066730753 /nfs/dbraw/zinc/73/07/53/1066730753.db2.gz UHJSPWNYGDUHSH-GOEBONIOSA-N 0 0 476.444 4.891 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492640097 1066730799 /nfs/dbraw/zinc/73/07/99/1066730799.db2.gz WXMZAXRNSCVPBD-RDJZCZTQSA-N 0 0 462.019 4.694 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492640276 1066730815 /nfs/dbraw/zinc/73/08/15/1066730815.db2.gz YLMSANNPSAIUGQ-WIYYLYMNSA-N 0 0 469.655 4.720 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc1 ZINC001456963603 1066730819 /nfs/dbraw/zinc/73/08/19/1066730819.db2.gz GXQVFSMNHBHWHX-FPOVZHCZSA-N 0 0 456.587 4.558 20 0 JJADRN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC001446681996 1066730941 /nfs/dbraw/zinc/73/09/41/1066730941.db2.gz QKSQNSNNRQGRFH-IBGZPJMESA-N 0 0 450.551 4.561 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(NC(=O)C(C)C)CC2)n1 ZINC001492640397 1066731256 /nfs/dbraw/zinc/73/12/56/1066731256.db2.gz XCJFZFUHOBDGFP-GOSISDBHSA-N 0 0 466.655 4.563 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)CC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)n1 ZINC001492640294 1066731316 /nfs/dbraw/zinc/73/13/16/1066731316.db2.gz YTARKOHRCXLCTC-QGZVFWFLSA-N 0 0 454.644 4.836 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(F)c(I)c2)cc1 ZINC001456966337 1066731852 /nfs/dbraw/zinc/73/18/52/1066731852.db2.gz RASBXPWWVRTZKL-QFBILLFUSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492640519 1066731791 /nfs/dbraw/zinc/73/17/91/1066731791.db2.gz XXEQGRIMBGINAR-NZSAHSFTSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1ccc(C2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC001446701640 1066731826 /nfs/dbraw/zinc/73/18/26/1066731826.db2.gz RWKRZWAMUXWTDJ-HSZRJFAPSA-N 0 0 451.636 4.609 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC2CCC(OC)CC2)CCO1 ZINC001546085850 1066731889 /nfs/dbraw/zinc/73/18/89/1066731889.db2.gz UACQSEMKJQVQDZ-CPAJTMIGSA-N 0 0 483.476 4.980 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(CO)CC2)n1 ZINC001492640619 1066732326 /nfs/dbraw/zinc/73/23/26/1066732326.db2.gz ZQFGRYYIGXXFLE-CYBMUJFWSA-N 0 0 494.434 4.624 20 0 JJADRN Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4cccc(Cl)c4S(C)(=O)=O)ccc32)c1 ZINC001456968051 1066732433 /nfs/dbraw/zinc/73/24/33/1066732433.db2.gz BEBAIWKKYBVDSB-UHFFFAOYSA-N 0 0 453.951 4.952 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)COCc3ccccc3)CCO2)n1 ZINC001492640825 1066732826 /nfs/dbraw/zinc/73/28/26/1066732826.db2.gz DZISZVYXPJBYFT-GHTZIAJQSA-N 0 0 469.655 4.771 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 ZINC001456971630 1066732863 /nfs/dbraw/zinc/73/28/63/1066732863.db2.gz JAWSRWZFIBGSKY-UHFFFAOYSA-N 0 0 452.576 4.897 20 0 JJADRN Cn1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c2ccccc21 ZINC001446709377 1066733090 /nfs/dbraw/zinc/73/30/90/1066733090.db2.gz JRVFLVRSAAKYRY-UHFFFAOYSA-N 0 0 455.923 4.590 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOC(C)(C)C)CCO2)n1 ZINC001492640982 1066733387 /nfs/dbraw/zinc/73/33/87/1066733387.db2.gz ICXIKSDPRQNMJF-SFHVURJKSA-N 0 0 462.019 4.756 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCOC(C)(C)C)CCO2)n1 ZINC001492641049 1066733469 /nfs/dbraw/zinc/73/34/69/1066733469.db2.gz IXNGPMJIMXRBCN-GOSISDBHSA-N 0 0 462.019 4.756 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3O)nnc2-c2ccco2)cc1 ZINC001446714180 1066733486 /nfs/dbraw/zinc/73/34/86/1066733486.db2.gz DEFWDATVGGMNRZ-UHFFFAOYSA-N 0 0 450.520 4.671 20 0 JJADRN CC(C)(Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC001446714012 1066733499 /nfs/dbraw/zinc/73/34/99/1066733499.db2.gz RWOSXRNDIKFEDP-UHFFFAOYSA-N 0 0 459.955 4.676 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641155 1066733758 /nfs/dbraw/zinc/73/37/58/1066733758.db2.gz JZDKYHJBNYBPQW-SQJMNOBHSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492641211 1066733795 /nfs/dbraw/zinc/73/37/95/1066733795.db2.gz CZYZNMJPJPSBCS-FNZWTVRRSA-N 0 0 496.681 4.703 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641153 1066733851 /nfs/dbraw/zinc/73/38/51/1066733851.db2.gz JZDKYHJBNYBPQW-PXDATVDWSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)nc3)C2)n1 ZINC001492641158 1066733872 /nfs/dbraw/zinc/73/38/72/1066733872.db2.gz CHHPUYUOQZCZSF-IBGZPJMESA-N 0 0 454.644 4.955 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C(=O)N1c1ccccc1 ZINC001456977234 1066733920 /nfs/dbraw/zinc/73/39/20/1066733920.db2.gz PICGOGZKQSOAGT-LIRRHRJNSA-N 0 0 453.951 4.578 20 0 JJADRN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001456976128 1066733987 /nfs/dbraw/zinc/73/39/87/1066733987.db2.gz LKKWQYZVTWPHMP-NRFANRHFSA-N 0 0 457.361 4.647 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4cccnc4)n3CCSCC(C)C)C2)n1 ZINC001492641470 1066734241 /nfs/dbraw/zinc/73/42/41/1066734241.db2.gz GJIVMFYDVGQIJD-FQEVSTJZSA-N 0 0 456.685 4.802 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC001456977444 1066734403 /nfs/dbraw/zinc/73/44/03/1066734403.db2.gz GTUNURRWOMDONJ-IBGZPJMESA-N 0 0 459.928 4.767 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@H](C)Cc3ccccc3C(F)(F)F)n2)c1 ZINC001446734160 1066734705 /nfs/dbraw/zinc/73/47/05/1066734705.db2.gz LGJPZQVQCXZEBA-CYBMUJFWSA-N 0 0 451.470 4.604 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC001545988784 1066734828 /nfs/dbraw/zinc/73/48/28/1066734828.db2.gz SYYAAVQSEULSBU-PLJYQOKSSA-N 0 0 453.945 4.725 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CCO2)n1 ZINC001492641523 1066734942 /nfs/dbraw/zinc/73/49/42/1066734942.db2.gz MAORUIDMACVIHN-YLJYHZDGSA-N 0 0 473.618 4.816 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)n1 ZINC001492641765 1066735264 /nfs/dbraw/zinc/73/52/64/1066735264.db2.gz JGFBDXCWCQHWSG-XFSFLGPDSA-N 0 0 471.696 4.552 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccnc(C(C)(C)C)n3)CCO2)n1 ZINC001492642127 1066735515 /nfs/dbraw/zinc/73/55/15/1066735515.db2.gz RVAXNRLKVHHYKP-FQEVSTJZSA-N 0 0 497.713 4.930 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCC(C)(C)O)CCO2)n1 ZINC001492642284 1066735811 /nfs/dbraw/zinc/73/58/11/1066735811.db2.gz UMFMNGITJKTOIA-FPOVZHCZSA-N 0 0 485.654 4.539 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC001456984583 1066735941 /nfs/dbraw/zinc/73/59/41/1066735941.db2.gz PMYJIRVACUSIHX-IBGZPJMESA-N 0 0 454.014 4.665 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)CCO2)n1 ZINC001492642373 1066735925 /nfs/dbraw/zinc/73/59/25/1066735925.db2.gz VIRNSOFJYKFSBG-SFHVURJKSA-N 0 0 495.571 4.908 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546085955 1066736011 /nfs/dbraw/zinc/73/60/11/1066736011.db2.gz WAKULKIQBSPJEA-AOMKIAJQSA-N 0 0 485.620 4.631 20 0 JJADRN CCCc1c(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cnn1-c1cccc(F)c1 ZINC001446756739 1066736439 /nfs/dbraw/zinc/73/64/39/1066736439.db2.gz PNGNCFGNHQHXTL-UHFFFAOYSA-N 0 0 459.481 4.569 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001456988694 1066736564 /nfs/dbraw/zinc/73/65/64/1066736564.db2.gz KCZIPUDTSPGNOA-UHFFFAOYSA-N 0 0 451.267 4.923 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccco1)OC ZINC001545989064 1066736986 /nfs/dbraw/zinc/73/69/86/1066736986.db2.gz AGARRSIXRILPQX-MJGOQNOKSA-N 0 0 461.607 4.608 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492643662 1066737351 /nfs/dbraw/zinc/73/73/51/1066737351.db2.gz ADDPTSAUQSEOPB-SFHVURJKSA-N 0 0 493.475 4.685 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)n1 ZINC001492642945 1066737377 /nfs/dbraw/zinc/73/73/77/1066737377.db2.gz WAMVSRQTZALWNN-KRWDZBQOSA-N 0 0 462.570 4.638 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC[C@H]1c1ccc(C)o1 ZINC001446774857 1066737356 /nfs/dbraw/zinc/73/73/56/1066737356.db2.gz BYSYGPXJYDHLDY-VJBWXMMDSA-N 0 0 453.583 4.686 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC[C@H]1c1ccc(C)o1 ZINC001446774844 1066737565 /nfs/dbraw/zinc/73/75/65/1066737565.db2.gz BYSYGPXJYDHLDY-VABKMULXSA-N 0 0 453.583 4.686 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC001456989636 1066737641 /nfs/dbraw/zinc/73/76/41/1066737641.db2.gz ZCJNMIIJOBWYGS-GJZGRUSLSA-N 0 0 450.457 4.848 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC001456991932 1066737664 /nfs/dbraw/zinc/73/76/64/1066737664.db2.gz RKNDXSKWQJVQDI-UHFFFAOYSA-N 0 0 450.764 4.854 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492642971 1066737825 /nfs/dbraw/zinc/73/78/25/1066737825.db2.gz WKDNWTBYZYQIRN-JXALWOEJSA-N 0 0 461.676 4.856 20 0 JJADRN CSc1ncc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1-c1ccc(F)cc1 ZINC001456994323 1066738027 /nfs/dbraw/zinc/73/80/27/1066738027.db2.gz XAIHDCJEYSPFRB-INIZCTEOSA-N 0 0 458.990 4.906 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccc(=O)n(Cc4cccc(Cl)c4)c3)c2)n1 ZINC001456993161 1066738032 /nfs/dbraw/zinc/73/80/32/1066738032.db2.gz UHALYYXHOKATBV-UHFFFAOYSA-N 0 0 459.937 4.513 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC001446776677 1066738092 /nfs/dbraw/zinc/73/80/92/1066738092.db2.gz CRGYDBZHUNXJMH-FQEVSTJZSA-N 0 0 457.412 4.925 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC001492643077 1066738317 /nfs/dbraw/zinc/73/83/17/1066738317.db2.gz YMDNXRXOHZSZCN-IBGZPJMESA-N 0 0 466.655 4.980 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CC[C@@](O)(c3ccccc3F)C2)n1 ZINC001492643166 1066738847 /nfs/dbraw/zinc/73/88/47/1066738847.db2.gz APZVXQHWNZDNMR-DEOSSOPVSA-N 0 0 457.619 4.501 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c1 ZINC001446786881 1066739154 /nfs/dbraw/zinc/73/91/54/1066739154.db2.gz OYAAUKFOCOZJLI-ZWEKWIFMSA-N 0 0 457.574 4.861 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(C)(c4nc(C)no4)CC3)nnc2C(C)(C)C)n1 ZINC001492643375 1066739255 /nfs/dbraw/zinc/73/92/55/1066739255.db2.gz HCODOIWMSOOHRS-UHFFFAOYSA-N 0 0 457.648 4.613 20 0 JJADRN Cc1csc(CCCCn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC001492643371 1066739264 /nfs/dbraw/zinc/73/92/64/1066739264.db2.gz HAYNHYSCBPLPHD-GOSISDBHSA-N 0 0 470.618 4.525 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)n1 ZINC001492643397 1066739281 /nfs/dbraw/zinc/73/92/81/1066739281.db2.gz HVHWWBHVOZGBFV-UHFFFAOYSA-N 0 0 457.648 4.514 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](C)Oc2cccc(F)c2)c1 ZINC001457005637 1066739516 /nfs/dbraw/zinc/73/95/16/1066739516.db2.gz FBEWNLJHXBZLJP-IBGZPJMESA-N 0 0 459.521 4.943 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001446788813 1066739521 /nfs/dbraw/zinc/73/95/21/1066739521.db2.gz PHHYYKIHYIRWPH-CMDGGOBGSA-N 0 0 451.498 4.958 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCOc2cccc(I)c2)o1 ZINC001457004998 1066739548 /nfs/dbraw/zinc/73/95/48/1066739548.db2.gz DVOLGIYWLWBQFU-RDTXWAMCSA-N 0 0 453.320 4.961 20 0 JJADRN COc1cc(NC(=O)c2nc(Br)sc2Cl)cc(OC)c1Br ZINC001446789462 1066739597 /nfs/dbraw/zinc/73/95/97/1066739597.db2.gz BZBYMIPDTWJSBZ-UHFFFAOYSA-N 0 0 456.543 4.591 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 ZINC001446789383 1066739659 /nfs/dbraw/zinc/73/96/59/1066739659.db2.gz NTLPBBLCMKCTST-UZUQRXQVSA-N 0 0 450.608 4.903 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)cc2)C1 ZINC001446789842 1066740074 /nfs/dbraw/zinc/74/00/74/1066740074.db2.gz FZXOTNFFJXQUPM-VQTJNVASSA-N 0 0 458.599 4.656 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC001457007642 1066740137 /nfs/dbraw/zinc/74/01/37/1066740137.db2.gz GZFQNYULOJWRFE-MRXNPFEDSA-N 0 0 454.514 4.679 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC001446793970 1066740450 /nfs/dbraw/zinc/74/04/50/1066740450.db2.gz WHDXGBAODABZJI-ZJSXRUAMSA-N 0 0 453.535 4.609 20 0 JJADRN O=C([C@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001446791128 1066740462 /nfs/dbraw/zinc/74/04/62/1066740462.db2.gz GSBCDONQJGNZLE-XMMPIXPASA-N 0 0 454.977 4.741 20 0 JJADRN COc1cc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(OC)c1Br ZINC001446790611 1066740585 /nfs/dbraw/zinc/74/05/85/1066740585.db2.gz FBRAQZYBFWEJMF-ZDUSSCGKSA-N 0 0 459.381 4.734 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c2ccccc2Cl)c(OC)c1 ZINC001457009454 1066740986 /nfs/dbraw/zinc/74/09/86/1066740986.db2.gz BCWMHMFSXZKZDN-OYLFLEFRSA-N 0 0 455.986 4.792 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(Br)c2)n1 ZINC001492644179 1066741071 /nfs/dbraw/zinc/74/10/71/1066741071.db2.gz YPUQKLWWSGDDHM-GOSISDBHSA-N 0 0 490.471 4.969 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)c2ccccc2)n1 ZINC001492644048 1066741080 /nfs/dbraw/zinc/74/10/80/1066741080.db2.gz GJTOPHZDRZXSOV-LJQANCHMSA-N 0 0 466.655 4.542 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)c2ccccc2Cl)c(OC)c1 ZINC001457009442 1066741218 /nfs/dbraw/zinc/74/12/18/1066741218.db2.gz BCWMHMFSXZKZDN-MYYSRTQBSA-N 0 0 455.986 4.792 20 0 JJADRN COc1cc(NC(=O)Cc2csc(NC3(C)CCCC3)n2)cc(OC)c1Br ZINC001446796318 1066741289 /nfs/dbraw/zinc/74/12/89/1066741289.db2.gz OIXTVMGDALBLJP-UHFFFAOYSA-N 0 0 454.390 4.849 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CCOCC2)n1 ZINC001492644212 1066741613 /nfs/dbraw/zinc/74/16/13/1066741613.db2.gz IAMLIYZIRPJIAU-UHFFFAOYSA-N 0 0 461.035 4.644 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001545989587 1066741679 /nfs/dbraw/zinc/74/16/79/1066741679.db2.gz IDWZMGZWPHBQGT-SJORKVTESA-N 0 0 482.000 4.514 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cccc(F)c2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545989588 1066741796 /nfs/dbraw/zinc/74/17/96/1066741796.db2.gz IEKQADFLKVOOCP-DFQSSKMNSA-N 0 0 487.620 4.738 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(COc4ccccc4F)n3CCCC(C)C)CCO2)n1 ZINC001492644422 1066742158 /nfs/dbraw/zinc/74/21/58/1066742158.db2.gz NZNMYKZQWFOZOY-FQEVSTJZSA-N 0 0 459.591 4.775 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)cc1 ZINC001457014534 1066742727 /nfs/dbraw/zinc/74/27/27/1066742727.db2.gz AXKXUYWPNABQNK-CYBMUJFWSA-N 0 0 454.495 4.521 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C(C)=C\c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457014421 1066742780 /nfs/dbraw/zinc/74/27/80/1066742780.db2.gz JDFSYRCMSHGVTK-SFZZKXPISA-N 0 0 453.535 4.547 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)n1 ZINC001492644532 1066742754 /nfs/dbraw/zinc/74/27/54/1066742754.db2.gz QSRBVJGUUMFGFI-IBGZPJMESA-N 0 0 484.645 4.613 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC001457015449 1066743411 /nfs/dbraw/zinc/74/34/11/1066743411.db2.gz BQVCMLPGTOMLET-OAQYLSRUSA-N 0 0 454.567 4.999 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC001446809740 1066743477 /nfs/dbraw/zinc/74/34/77/1066743477.db2.gz WFTZUNHYCIDKRX-CQSZACIVSA-N 0 0 457.361 4.938 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)C2)n1 ZINC001492644734 1066743785 /nfs/dbraw/zinc/74/37/85/1066743785.db2.gz XYSYKFDVXVUTTF-INIZCTEOSA-N 0 0 452.628 4.781 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cc2)c1 ZINC001492644869 1066743792 /nfs/dbraw/zinc/74/37/92/1066743792.db2.gz CUSWGFQFGMOQHO-UHFFFAOYSA-N 0 0 482.997 4.664 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001492644872 1066743928 /nfs/dbraw/zinc/74/39/28/1066743928.db2.gz CWJYGLJPZVVBPC-GOSISDBHSA-N 0 0 481.597 4.619 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@H](C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492644848 1066743956 /nfs/dbraw/zinc/74/39/56/1066743956.db2.gz CBCDQGWHGJCWBU-CYFREDJKSA-N 0 0 461.676 4.733 20 0 JJADRN O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001457016145 1066743926 /nfs/dbraw/zinc/74/39/26/1066743926.db2.gz WTGZXZFFVIKMGM-JOCHJYFZSA-N 0 0 455.576 4.912 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)c2)c1 ZINC001492644886 1066744413 /nfs/dbraw/zinc/74/44/13/1066744413.db2.gz DLAABXJDPLCPDV-UHFFFAOYSA-N 0 0 463.529 4.588 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC001457018119 1066744481 /nfs/dbraw/zinc/74/44/81/1066744481.db2.gz ZQCGYEWBJSRENT-HSZRJFAPSA-N 0 0 450.604 4.913 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C(C)(C)C1 ZINC001446817824 1066744461 /nfs/dbraw/zinc/74/44/61/1066744461.db2.gz RXNCBYVHKLBART-UHFFFAOYSA-N 0 0 454.796 4.693 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)C(=O)c2ccco2)c(Br)c1 ZINC001446817259 1066744567 /nfs/dbraw/zinc/74/45/67/1066744567.db2.gz ZYFQVFXWVMHDQK-CQSZACIVSA-N 0 0 457.324 4.818 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001492645028 1066744948 /nfs/dbraw/zinc/74/49/48/1066744948.db2.gz IJZZUDMUAHGZOG-VQTJNVASSA-N 0 0 467.639 4.826 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC001457019540 1066745010 /nfs/dbraw/zinc/74/50/10/1066745010.db2.gz MTDRPKCLOOPBHH-VQTJNVASSA-N 0 0 451.588 4.992 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)C2=O)cc1 ZINC001457019868 1066745023 /nfs/dbraw/zinc/74/50/23/1066745023.db2.gz XWCVMZGMOGQZRU-QHCPKHFHSA-N 0 0 451.954 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001492645238 1066745355 /nfs/dbraw/zinc/74/53/55/1066745355.db2.gz OXFAYZGJVNXVMK-RXVVDRJESA-N 0 0 482.654 4.773 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001492645237 1066745438 /nfs/dbraw/zinc/74/54/38/1066745438.db2.gz OXFAYZGJVNXVMK-NQIIRXRSSA-N 0 0 482.654 4.773 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)c1 ZINC001492645223 1066745458 /nfs/dbraw/zinc/74/54/58/1066745458.db2.gz OJXNBBBBZKOVEC-QGZVFWFLSA-N 0 0 454.575 4.540 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(C3OCCO3)cc2)c2ccccc2Cl)c(OC)c1 ZINC001457020328 1066745417 /nfs/dbraw/zinc/74/54/17/1066745417.db2.gz RSROHQCAHMCJAT-HSZRJFAPSA-N 0 0 453.922 4.922 20 0 JJADRN COCCOc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001457021891 1066745498 /nfs/dbraw/zinc/74/54/98/1066745498.db2.gz UKPXKYHSBIVACZ-XMMPIXPASA-N 0 0 455.938 4.902 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)CC2CCC3(CC2)OCCO3)cc1OC ZINC001457020434 1066745589 /nfs/dbraw/zinc/74/55/89/1066745589.db2.gz QGNREMWFWAOPLZ-UHFFFAOYSA-N 0 0 459.608 4.660 20 0 JJADRN CC[C@H](CO)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446827114 1066745625 /nfs/dbraw/zinc/74/56/25/1066745625.db2.gz ZPQXRSOSLYYFAG-IBVKSMDESA-N 0 0 458.558 4.544 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001446827636 1066745646 /nfs/dbraw/zinc/74/56/46/1066745646.db2.gz RWFKTQSESOMZOL-BXKMTCNYSA-N 0 0 456.558 4.554 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCOC2)c1 ZINC001492645412 1066745909 /nfs/dbraw/zinc/74/59/09/1066745909.db2.gz VKZPYLBCLLNLMW-IBGZPJMESA-N 0 0 453.612 4.580 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)c1 ZINC001492645415 1066745993 /nfs/dbraw/zinc/74/59/93/1066745993.db2.gz VNBLCJKIQUGSGP-HNNXBMFYSA-N 0 0 472.018 4.747 20 0 JJADRN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001457022126 1066745992 /nfs/dbraw/zinc/74/59/92/1066745992.db2.gz OYKIULOTIKFHFV-MRXNPFEDSA-N 0 0 453.995 4.688 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001457024171 1066746486 /nfs/dbraw/zinc/74/64/86/1066746486.db2.gz YHAYJUAAWRWTCV-WBVHZDCISA-N 0 0 457.958 4.917 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001457024162 1066746580 /nfs/dbraw/zinc/74/65/80/1066746580.db2.gz YHAYJUAAWRWTCV-DOTOQJQBSA-N 0 0 457.958 4.917 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC001446839357 1066746801 /nfs/dbraw/zinc/74/68/01/1066746801.db2.gz SLLSZPNHDBXELH-UHFFFAOYSA-N 0 0 457.324 4.588 20 0 JJADRN Cc1cccc(C)c1OCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457025373 1066746974 /nfs/dbraw/zinc/74/69/74/1066746974.db2.gz FZLQTRIERZCJKS-QHCPKHFHSA-N 0 0 457.979 4.645 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc3cnccc32)c2ccc(Cl)cc2)c1 ZINC001457025508 1066747045 /nfs/dbraw/zinc/74/70/45/1066747045.db2.gz HPESVCYNCARCHO-QHCPKHFHSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCO2)c1 ZINC001492645863 1066747421 /nfs/dbraw/zinc/74/74/21/1066747421.db2.gz LQXWMOKBGKPNTK-INIZCTEOSA-N 0 0 464.433 4.622 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2(=O)=O)c1 ZINC001492645810 1066747525 /nfs/dbraw/zinc/74/75/25/1066747525.db2.gz JVJGOBXTAKVNHS-KRWDZBQOSA-N 0 0 483.034 4.711 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001457026893 1066747473 /nfs/dbraw/zinc/74/74/73/1066747473.db2.gz LDFMTZVWPPKAIG-UHFFFAOYSA-N 0 0 458.287 4.664 20 0 JJADRN Cc1cc(Br)c(O)c(NC(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)c1 ZINC001446846838 1066747719 /nfs/dbraw/zinc/74/77/19/1066747719.db2.gz IFRUKPBYPGCGNA-UHFFFAOYSA-N 0 0 456.362 4.838 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCC(F)(F)F)c1 ZINC001492645993 1066748054 /nfs/dbraw/zinc/74/80/54/1066748054.db2.gz RATBFSXCAODPSX-CYBMUJFWSA-N 0 0 497.612 4.816 20 0 JJADRN O=C(N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001446851876 1066748483 /nfs/dbraw/zinc/74/84/83/1066748483.db2.gz ZDOOLCLPTAUCQM-HXUWFJFHSA-N 0 0 459.399 4.977 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCCn2ccnn2)c1 ZINC001492646055 1066748609 /nfs/dbraw/zinc/74/86/09/1066748609.db2.gz UBLICPDCCDSEHH-UHFFFAOYSA-N 0 0 490.406 4.535 20 0 JJADRN CC1(C)CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)c2cccc(Cl)c21 ZINC001457029739 1066748532 /nfs/dbraw/zinc/74/85/32/1066748532.db2.gz MJBMKFNHBVFLEB-UHFFFAOYSA-N 0 0 450.764 4.939 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)CC2 ZINC001446854561 1066748830 /nfs/dbraw/zinc/74/88/30/1066748830.db2.gz HBOFECULMPMJGW-ROUUACIJSA-N 0 0 451.405 4.582 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001492646163 1066748967 /nfs/dbraw/zinc/74/89/67/1066748967.db2.gz YBYZPZNXEILDKM-AREMUKBSSA-N 0 0 481.666 4.855 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001492646114 1066749029 /nfs/dbraw/zinc/74/90/29/1066749029.db2.gz VYVPAGXXHWVBKR-XMMPIXPASA-N 0 0 490.695 4.542 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001457033411 1066749004 /nfs/dbraw/zinc/74/90/04/1066749004.db2.gz PJVMMOGTBHWTKK-OAHLLOKOSA-N 0 0 455.502 4.910 20 0 JJADRN Cc1ccccc1OCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457032180 1066749081 /nfs/dbraw/zinc/74/90/81/1066749081.db2.gz WNCHXHOZJCQCBU-DEOSSOPVSA-N 0 0 457.979 4.727 20 0 JJADRN O=C(NC[C@H]1SCCc2ccccc21)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001457032111 1066749086 /nfs/dbraw/zinc/74/90/86/1066749086.db2.gz VGOSMMPEVDIFOJ-GOSISDBHSA-N 0 0 452.889 4.700 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC001446862643 1066749445 /nfs/dbraw/zinc/74/94/45/1066749445.db2.gz IYHPRNZBRIYCTF-OAQYLSRUSA-N 0 0 452.551 4.861 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3F)n2CCCN2CCCCCC2=O)c1 ZINC001492646209 1066749498 /nfs/dbraw/zinc/74/94/98/1066749498.db2.gz ZCDVOXLPNNJQGR-UHFFFAOYSA-N 0 0 455.603 4.883 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C1 ZINC001457036244 1066749552 /nfs/dbraw/zinc/74/95/52/1066749552.db2.gz SGMIONIEQZTBJR-LLVKDONJSA-N 0 0 456.383 4.685 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2[nH]1)c1cc2c(cccc2Br)[nH]1 ZINC001457038170 1066749954 /nfs/dbraw/zinc/74/99/54/1066749954.db2.gz CFJRUGPPSFLDQC-UHFFFAOYSA-N 0 0 452.081 4.961 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(COCC(F)(F)F)cc2)c1 ZINC001492646651 1066749937 /nfs/dbraw/zinc/74/99/37/1066749937.db2.gz OAAMLEFJKUYCGX-UHFFFAOYSA-N 0 0 488.539 4.869 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001492646489 1066750005 /nfs/dbraw/zinc/75/00/05/1066750005.db2.gz JJIJXLYJNFSODC-UHFFFAOYSA-N 0 0 462.501 4.664 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001457038000 1066750041 /nfs/dbraw/zinc/75/00/41/1066750041.db2.gz WVMKEPKQOVFSAJ-SDVOOXDOSA-N 0 0 456.671 4.744 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001457037090 1066750063 /nfs/dbraw/zinc/75/00/63/1066750063.db2.gz KSRSRTLFSWGZOQ-UHFFFAOYSA-N 0 0 450.283 4.568 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001457040583 1066750564 /nfs/dbraw/zinc/75/05/64/1066750564.db2.gz VNRFMFJNAOKNRO-UHFFFAOYSA-N 0 0 453.633 4.838 20 0 JJADRN CCSc1ccc(CC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001457038959 1066750596 /nfs/dbraw/zinc/75/05/96/1066750596.db2.gz XMXKWKWOCLMHBQ-HNNXBMFYSA-N 0 0 457.434 4.571 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001446874323 1066750858 /nfs/dbraw/zinc/75/08/58/1066750858.db2.gz RCMKCGKUQSUJOE-JKSUJKDBSA-N 0 0 459.940 4.635 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(Br)c(C)c1N ZINC001446873714 1066750924 /nfs/dbraw/zinc/75/09/24/1066750924.db2.gz PLHLPOZIOWZGGW-GTNSWQLSSA-N 0 0 456.178 4.608 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)c1 ZINC001457042328 1066751051 /nfs/dbraw/zinc/75/10/51/1066751051.db2.gz WUYNVKZFUOXXDV-UHFFFAOYSA-N 0 0 456.377 4.703 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1(CC)CC ZINC001457047927 1066751060 /nfs/dbraw/zinc/75/10/60/1066751060.db2.gz CSPMWPWLZQBWAT-PMACEKPBSA-N 0 0 454.533 4.658 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(Cl)cc4c[nH]nc43)c2)c1 ZINC001457047250 1066751138 /nfs/dbraw/zinc/75/11/38/1066751138.db2.gz KTLQSGUTDRVFAM-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001446876740 1066751343 /nfs/dbraw/zinc/75/13/43/1066751343.db2.gz WSVBYTMQSWRDMY-YCRPNKLZSA-N 0 0 455.356 4.797 20 0 JJADRN CCc1cnccc1[C@H](C)NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446875155 1066751444 /nfs/dbraw/zinc/75/14/44/1066751444.db2.gz UKHMVZVGMHAOHQ-OALUTQOASA-N 0 0 457.574 4.996 20 0 JJADRN CCn1c(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccc(F)cc21 ZINC001446877202 1066751863 /nfs/dbraw/zinc/75/18/63/1066751863.db2.gz DCOXAZISTBQMCL-UHFFFAOYSA-N 0 0 457.506 4.550 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001446879274 1066752394 /nfs/dbraw/zinc/75/23/94/1066752394.db2.gz JJLOEQVOCMIKJN-UHFFFAOYSA-N 0 0 458.990 4.604 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)c3ccnc4[nH]c(=O)[nH]c43)oc21 ZINC001446878135 1066752425 /nfs/dbraw/zinc/75/24/25/1066752425.db2.gz KMTXKCMBBURHHZ-QGZVFWFLSA-N 0 0 457.328 4.950 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)CCC(=O)c3ccc(F)cc3F)nc21 ZINC001457060235 1066752613 /nfs/dbraw/zinc/75/26/13/1066752613.db2.gz BXGAHHDKMXKJTQ-UHFFFAOYSA-N 0 0 455.280 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(OCCCOc3ccccc3)c1)C2 ZINC001457059859 1066752723 /nfs/dbraw/zinc/75/27/23/1066752723.db2.gz FEROQEDNMBKYES-ZODMCCGTSA-N 0 0 480.605 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccc(Oc4cccc(F)c4)cn3)C2)CC1 ZINC001446881585 1066752772 /nfs/dbraw/zinc/75/27/72/1066752772.db2.gz RCXCUNJGXJFBDE-UHFFFAOYSA-N 0 0 455.530 4.876 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1Cc1ccccc1 ZINC001446880949 1066752795 /nfs/dbraw/zinc/75/27/95/1066752795.db2.gz PVMKUOVMGPEEMW-QFIPXVFZSA-N 0 0 456.373 4.995 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccc(C(F)F)n2)c1 ZINC001492648029 1066752973 /nfs/dbraw/zinc/75/29/73/1066752973.db2.gz GYOUAYCERNTICN-VQIMIIECSA-N 0 0 476.597 4.979 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cn2)C[C@H](C)O1 ZINC001446884763 1066753234 /nfs/dbraw/zinc/75/32/34/1066753234.db2.gz XHFCXAAAHDEMGF-GASCZTMLSA-N 0 0 454.423 4.665 20 0 JJADRN Cc1c(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cnn1-c1ccc(Cl)cc1 ZINC001446884854 1066753360 /nfs/dbraw/zinc/75/33/60/1066753360.db2.gz XVYXBVFBGHBIEK-UHFFFAOYSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2F)c1 ZINC001492648158 1066753394 /nfs/dbraw/zinc/75/33/94/1066753394.db2.gz LMSKDWCEORJMOF-UHFFFAOYSA-N 0 0 458.994 4.987 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N(C)C)c1 ZINC001492648118 1066753423 /nfs/dbraw/zinc/75/34/23/1066753423.db2.gz KHJISJZPMIDCCC-UHFFFAOYSA-N 0 0 469.655 4.639 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C(C)C)c1 ZINC001492648212 1066753460 /nfs/dbraw/zinc/75/34/60/1066753460.db2.gz NDXRZRIPMVVDIW-CYFREDJKSA-N 0 0 477.675 4.763 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001457065690 1066753629 /nfs/dbraw/zinc/75/36/29/1066753629.db2.gz UAQYZCAZHZXENR-GWECAROFSA-N 0 0 451.567 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CC(=O)N(Cc2cccc3ccccc32)c2ccccc2)CC1 ZINC001446884961 1066753859 /nfs/dbraw/zinc/75/38/59/1066753859.db2.gz APFCCPVEHRVKEP-UHFFFAOYSA-N 0 0 459.590 4.926 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)Cc3ccncc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457067745 1066754109 /nfs/dbraw/zinc/75/41/09/1066754109.db2.gz JJEPJWISTCSOPW-CMTYHFORSA-N 0 0 457.574 4.630 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001457067072 1066754197 /nfs/dbraw/zinc/75/41/97/1066754197.db2.gz ZFGYGLZLIZGDMS-IKGGRYGDSA-N 0 0 490.398 4.937 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)CCSc2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001446887242 1066754148 /nfs/dbraw/zinc/75/41/48/1066754148.db2.gz CHPODCRYTZCOSR-LSDHHAIUSA-N 0 0 457.434 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001446890182 1066754252 /nfs/dbraw/zinc/75/42/52/1066754252.db2.gz MSSIAMYJGVJTNM-UHFFFAOYSA-N 0 0 457.546 4.681 20 0 JJADRN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CCCS2)c1 ZINC001492648457 1066754492 /nfs/dbraw/zinc/75/44/92/1066754492.db2.gz WYTKCYISJBOKMX-NRFANRHFSA-N 0 0 461.682 4.562 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)COc3cccc(Br)c3)CCCC2)cc1C ZINC001457069652 1066754624 /nfs/dbraw/zinc/75/46/24/1066754624.db2.gz WSWCBLPHZCHRNS-UHFFFAOYSA-N 0 0 459.384 4.760 20 0 JJADRN CN(C(=O)CCc1cccc(F)c1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457070007 1066754706 /nfs/dbraw/zinc/75/47/06/1066754706.db2.gz ZDYSRRLJNXZIHO-UHFFFAOYSA-N 0 0 457.384 4.815 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545990553 1066754695 /nfs/dbraw/zinc/75/46/95/1066754695.db2.gz UQCBKHZLBKHVQA-WOJBJXKFSA-N 0 0 497.631 4.689 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)CC3 ZINC001446900200 1066754729 /nfs/dbraw/zinc/75/47/29/1066754729.db2.gz LVOVPNOXXWPESP-NTKDMRAZSA-N 0 0 451.998 4.948 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)COCCO2)c1 ZINC001492648536 1066755018 /nfs/dbraw/zinc/75/50/18/1066755018.db2.gz ZNRMGMIRQYXOBY-QFIPXVFZSA-N 0 0 497.448 4.976 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)n1 ZINC001492648567 1066755023 /nfs/dbraw/zinc/75/50/23/1066755023.db2.gz AWSWVFARVGMVTD-IBGZPJMESA-N 0 0 455.628 4.711 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)CC(C)(C)C2)n1 ZINC001492648775 1066755067 /nfs/dbraw/zinc/75/50/67/1066755067.db2.gz HYTDDDLANDOURD-ZDUSSCGKSA-N 0 0 463.449 4.732 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 ZINC001457072220 1066755260 /nfs/dbraw/zinc/75/52/60/1066755260.db2.gz JQBGUIPLEKCAIQ-QHCPKHFHSA-N 0 0 451.906 4.807 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3cccc(Nc4cnccn4)c3)nc21 ZINC001457071551 1066755274 /nfs/dbraw/zinc/75/52/74/1066755274.db2.gz TYSYCGNWHKEWGA-UHFFFAOYSA-N 0 0 456.325 4.853 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)n1 ZINC001492649168 1066755902 /nfs/dbraw/zinc/75/59/02/1066755902.db2.gz SUWGCKAWKWFVPP-CQSZACIVSA-N 0 0 478.391 4.859 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001492649081 1066756009 /nfs/dbraw/zinc/75/60/09/1066756009.db2.gz QOSLFUUBWICNTL-KBPBESRZSA-N 0 0 464.458 4.851 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2ccc(Cl)c(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457075974 1066756287 /nfs/dbraw/zinc/75/62/87/1066756287.db2.gz OKHICYJLBGBUIS-QHCPKHFHSA-N 0 0 457.979 4.834 20 0 JJADRN Cc1ccc([C@H](NC(=O)COc2ccc3ccccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457076922 1066756295 /nfs/dbraw/zinc/75/62/95/1066756295.db2.gz VGKBAIJRNAGHSM-MHZLTWQESA-N 0 0 459.567 4.836 20 0 JJADRN Cc1c(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccn1Cc1ccccc1 ZINC001457078024 1066756748 /nfs/dbraw/zinc/75/67/48/1066756748.db2.gz SFIQWDXEOAGGBN-AREMUKBSSA-N 0 0 458.583 4.768 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492649713 1066756928 /nfs/dbraw/zinc/75/69/28/1066756928.db2.gz MRDVNMVMOWYOIB-HNNXBMFYSA-N 0 0 476.444 4.833 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N2CCSC[C@@H]2C)n1 ZINC001492649716 1066757059 /nfs/dbraw/zinc/75/70/59/1066757059.db2.gz MTQWIVFOFFHURB-NSHDSACASA-N 0 0 456.460 4.524 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1 ZINC001492649981 1066757474 /nfs/dbraw/zinc/75/74/74/1066757474.db2.gz WLESLSVHCRFMDB-XHDPSFHLSA-N 0 0 475.899 4.707 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492649799 1066757503 /nfs/dbraw/zinc/75/75/03/1066757503.db2.gz PAENOKZOFCPGPT-LJQANCHMSA-N 0 0 482.654 4.808 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)c2ccccc2OCc2ccc(F)cc2)[nH]n1 ZINC001446930354 1066757624 /nfs/dbraw/zinc/75/76/24/1066757624.db2.gz WRYHEAOVUPPQLG-UHFFFAOYSA-N 0 0 459.477 4.511 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 ZINC001446929249 1066757645 /nfs/dbraw/zinc/75/76/45/1066757645.db2.gz SINQNYYCNUJWIX-UHFFFAOYSA-N 0 0 459.365 4.859 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)OCc3cc(Cl)ccc3OC3CCCC3)c2C)cc1 ZINC001457083014 1066757773 /nfs/dbraw/zinc/75/77/73/1066757773.db2.gz BLRFAUSQYWPRKZ-UHFFFAOYSA-N 0 0 455.942 4.975 20 0 JJADRN Cc1csc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@@H](C)CC2)n1 ZINC001492650216 1066757917 /nfs/dbraw/zinc/75/79/17/1066757917.db2.gz DHFKJIXOLPWIOJ-QGZVFWFLSA-N 0 0 474.675 4.832 20 0 JJADRN Cc1nc(-c2cc3c(s2)CCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)C3)cs1 ZINC001446949733 1066758063 /nfs/dbraw/zinc/75/80/63/1066758063.db2.gz ARLXJGKGOGFPBR-UHFFFAOYSA-N 0 0 457.646 4.745 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)cc1 ZINC001446949177 1066758074 /nfs/dbraw/zinc/75/80/74/1066758074.db2.gz QJPFWAJMANMDCW-LJQANCHMSA-N 0 0 450.486 4.717 20 0 JJADRN Cc1csc(Cn2c(CC3CCCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492651512 1066758802 /nfs/dbraw/zinc/75/88/02/1066758802.db2.gz UECIUTCJVIDFGZ-IBGZPJMESA-N 0 0 474.675 4.517 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)nn1-c1ccccc1Cl ZINC001446964017 1066759053 /nfs/dbraw/zinc/75/90/53/1066759053.db2.gz NVCJSACPDOKSCS-GFCCVEGCSA-N 0 0 451.741 4.898 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCN(C)[C@H](C)[C@H]3C)cc12 ZINC001446963414 1066759143 /nfs/dbraw/zinc/75/91/43/1066759143.db2.gz FDEUFMZJPWXRBY-ZIAGYGMSSA-N 0 0 451.423 4.926 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)nn1-c1ccccc1Cl ZINC001446964024 1066759229 /nfs/dbraw/zinc/75/92/29/1066759229.db2.gz NVCJSACPDOKSCS-LBPRGKRZSA-N 0 0 451.741 4.898 20 0 JJADRN CC(C)(C)C(=O)NCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457090421 1066759275 /nfs/dbraw/zinc/75/92/75/1066759275.db2.gz JPJLLBIMDDPHFM-UHFFFAOYSA-N 0 0 454.368 4.556 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2cccc(O)c2)n1 ZINC001492651861 1066759418 /nfs/dbraw/zinc/75/94/18/1066759418.db2.gz GIGOBHKFIVIDCJ-LDQXTDLNSA-N 0 0 455.628 4.913 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3sc(-c4ccc(OC)cc4)nc3C)ccc2NC1=O ZINC001457092241 1066759753 /nfs/dbraw/zinc/75/97/53/1066759753.db2.gz MNWLKQNHEKCMRM-DJJJIMSYSA-N 0 0 451.548 4.728 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001457093754 1066759792 /nfs/dbraw/zinc/75/97/92/1066759792.db2.gz HMCWYZSLUFUSLL-HSZRJFAPSA-N 0 0 453.583 4.513 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001446966128 1066759877 /nfs/dbraw/zinc/75/98/77/1066759877.db2.gz JNJWWQHENKYYCO-MOPGFXCFSA-N 0 0 458.546 4.626 20 0 JJADRN C[S@](=O)(=NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC001457095085 1066760240 /nfs/dbraw/zinc/76/02/40/1066760240.db2.gz CGJUQIVNVFVCNX-XHCCPWGMSA-N 0 0 453.377 4.626 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)C)n3Cc3cccc(COC(C)(C)C)c3)CC2)n1 ZINC001492652519 1066760302 /nfs/dbraw/zinc/76/03/02/1066760302.db2.gz GQNODTGXDGYQED-UHFFFAOYSA-N 0 0 482.698 4.932 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC001446973323 1066760412 /nfs/dbraw/zinc/76/04/12/1066760412.db2.gz JXZBSFFQOJKQJV-KSFYIVLOSA-N 0 0 452.551 4.988 20 0 JJADRN Cc1ccccc1CNc1ccccc1NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001446970262 1066760447 /nfs/dbraw/zinc/76/04/47/1066760447.db2.gz WXIVMWUDUFRSOX-UHFFFAOYSA-N 0 0 452.576 4.808 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001446979696 1066760765 /nfs/dbraw/zinc/76/07/65/1066760765.db2.gz MMMKNQSVDNECHM-VVMIZEJSSA-N 0 0 450.579 4.576 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492652915 1066760865 /nfs/dbraw/zinc/76/08/65/1066760865.db2.gz QWYZKHYWNKVWKA-OAQYLSRUSA-N 0 0 488.057 4.531 20 0 JJADRN O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457097224 1066760903 /nfs/dbraw/zinc/76/09/03/1066760903.db2.gz KJBKIWFXRCYZQG-KRWDZBQOSA-N 0 0 451.514 4.682 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001492653300 1066761248 /nfs/dbraw/zinc/76/12/48/1066761248.db2.gz DESQXLVIZRHUSB-UHFFFAOYSA-N 0 0 485.629 4.731 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001492652862 1066761403 /nfs/dbraw/zinc/76/14/03/1066761403.db2.gz OVRJOQSNSYRUHZ-QGZVFWFLSA-N 0 0 472.684 4.798 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446983218 1066761329 /nfs/dbraw/zinc/76/13/29/1066761329.db2.gz FPFSHTCIABXAMD-LSDHHAIUSA-N 0 0 450.004 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC001446980505 1066761488 /nfs/dbraw/zinc/76/14/88/1066761488.db2.gz IXKNQXRHKSLQKE-HSALFYBXSA-N 0 0 459.635 4.642 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2NC1=O ZINC001457100148 1066761984 /nfs/dbraw/zinc/76/19/84/1066761984.db2.gz XPBGTWLLCZTBQT-HXOBKFHXSA-N 0 0 457.530 4.564 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001492653820 1066762300 /nfs/dbraw/zinc/76/23/00/1066762300.db2.gz HFXHTINCDZEIFU-UHFFFAOYSA-N 0 0 474.030 4.931 20 0 JJADRN Cc1cscc1Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 ZINC001492653809 1066762447 /nfs/dbraw/zinc/76/24/47/1066762447.db2.gz HBUAEMDTISNPMG-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC001457100585 1066762306 /nfs/dbraw/zinc/76/23/06/1066762306.db2.gz KXUYHXBBLLRSCT-HHHXNRCGSA-N 0 0 450.333 4.688 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(Br)c1 ZINC001457102100 1066762323 /nfs/dbraw/zinc/76/23/23/1066762323.db2.gz NBXNACJFQDVBLS-NDEPHWFRSA-N 0 0 458.333 4.683 20 0 JJADRN O=C(c1c(F)ccc(Br)c1F)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446989847 1066763156 /nfs/dbraw/zinc/76/31/56/1066763156.db2.gz WEUXKIJOJUFMFA-CYBMUJFWSA-N 0 0 453.331 4.913 20 0 JJADRN Cc1cscc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492654227 1066763346 /nfs/dbraw/zinc/76/33/46/1066763346.db2.gz PANRANNXMFHYOR-UHFFFAOYSA-N 0 0 455.937 4.701 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001492654288 1066763391 /nfs/dbraw/zinc/76/33/91/1066763391.db2.gz QZILWSJFHZPZLF-GOSISDBHSA-N 0 0 455.603 4.634 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001446994846 1066763405 /nfs/dbraw/zinc/76/34/05/1066763405.db2.gz QIZOHBHWGDRVHG-HZPDHXFCSA-N 0 0 451.995 4.795 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c2ccccc21 ZINC001457105516 1066763452 /nfs/dbraw/zinc/76/34/52/1066763452.db2.gz ZHHBUYVRWLVFGG-KNOQIOAQSA-N 0 0 458.514 4.524 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)c2ccccc21 ZINC001457105486 1066763536 /nfs/dbraw/zinc/76/35/36/1066763536.db2.gz ZAUGIQDZGISZQZ-GCJKJVERSA-N 0 0 456.583 4.640 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 ZINC001492654151 1066763441 /nfs/dbraw/zinc/76/34/41/1066763441.db2.gz STFPTFLIYNBJBO-FQEVSTJZSA-N 0 0 475.659 4.774 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001446994850 1066763575 /nfs/dbraw/zinc/76/35/75/1066763575.db2.gz QIZOHBHWGDRVHG-JKSUJKDBSA-N 0 0 451.995 4.795 20 0 JJADRN O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC(Cc2ccccc2)C1 ZINC001446992880 1066763604 /nfs/dbraw/zinc/76/36/04/1066763604.db2.gz CAORJHMHMSFGNF-UHFFFAOYSA-N 0 0 458.942 4.595 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001492654543 1066763800 /nfs/dbraw/zinc/76/38/00/1066763800.db2.gz XYKFBZVVZBGQGY-JENIJYKNSA-N 0 0 459.660 4.903 20 0 JJADRN CS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 ZINC001457111063 1066764434 /nfs/dbraw/zinc/76/44/34/1066764434.db2.gz LLYRTMALFAEJNG-ZACQAIPSSA-N 0 0 457.434 4.757 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Br)cc3)nnc2N2CCS[C@H](C)C2)s1 ZINC001492654773 1066764765 /nfs/dbraw/zinc/76/47/65/1066764765.db2.gz BRFBKSCNDHOYLY-CYBMUJFWSA-N 0 0 478.485 4.965 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCO[C@H](C)C2)s1 ZINC001492654933 1066764798 /nfs/dbraw/zinc/76/47/98/1066764798.db2.gz HMHHVRUBUYZIJQ-CQSZACIVSA-N 0 0 476.444 4.557 20 0 JJADRN Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)s1 ZINC001492654787 1066764812 /nfs/dbraw/zinc/76/48/12/1066764812.db2.gz CJEGSPMVRYLMOE-QFIPXVFZSA-N 0 0 457.619 4.807 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@H](C)C2)s1 ZINC001492654816 1066764851 /nfs/dbraw/zinc/76/48/51/1066764851.db2.gz DLIUPBBNIOVZBV-CYBMUJFWSA-N 0 0 465.595 4.804 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc1 ZINC001457115166 1066765279 /nfs/dbraw/zinc/76/52/79/1066765279.db2.gz XBQQJOKZFSWZKJ-FQEVSTJZSA-N 0 0 454.592 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001457113930 1066765376 /nfs/dbraw/zinc/76/53/76/1066765376.db2.gz PYTZESGZQUBZLR-CVEARBPZSA-N 0 0 450.992 4.804 20 0 JJADRN Cc1cscc1Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492655312 1066765811 /nfs/dbraw/zinc/76/58/11/1066765811.db2.gz HAHLJBSRQRMCMR-QFIPXVFZSA-N 0 0 481.666 4.975 20 0 JJADRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3nc(C(C)(C)C)sc3c1)C2=O ZINC001457115486 1066765960 /nfs/dbraw/zinc/76/59/60/1066765960.db2.gz SYQDVDWZPKNYTA-JBEBIEQOSA-N 0 0 456.612 4.669 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447015922 1066765997 /nfs/dbraw/zinc/76/59/97/1066765997.db2.gz SPAIDLVJBYPTDC-JZGRTCEGSA-N 0 0 458.521 4.512 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC(F)C2)s1 ZINC001492654859 1066766304 /nfs/dbraw/zinc/76/63/04/1066766304.db2.gz FJDABKHFLOFGGH-UHFFFAOYSA-N 0 0 481.439 4.546 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001447018830 1066766681 /nfs/dbraw/zinc/76/66/81/1066766681.db2.gz XNXBFWWINAYYHF-KKUMJFAQSA-N 0 0 455.393 4.718 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492655580 1066766811 /nfs/dbraw/zinc/76/68/11/1066766811.db2.gz JYVVJMOSGKFYLW-HLAWJBBLSA-N 0 0 489.686 4.718 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001447021623 1066766837 /nfs/dbraw/zinc/76/68/37/1066766837.db2.gz BLNJMPYXAYOZEG-INIZCTEOSA-N 0 0 450.366 4.570 20 0 JJADRN O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(Cc1cccs1)Cc1ccncc1 ZINC001457121854 1066767152 /nfs/dbraw/zinc/76/71/52/1066767152.db2.gz GDBUDVRUTFMPOO-UHFFFAOYSA-N 0 0 454.349 4.590 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492655792 1066767280 /nfs/dbraw/zinc/76/72/80/1066767280.db2.gz NYIUTLFVQLJMPM-GCJKJVERSA-N 0 0 481.666 4.831 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001492655764 1066767300 /nfs/dbraw/zinc/76/73/00/1066767300.db2.gz MSYJLURLIWPUGB-VQTJNVASSA-N 0 0 475.659 4.630 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Br)s3)nnc2N(C)CC2CCOCC2)s1 ZINC001492655682 1066767338 /nfs/dbraw/zinc/76/73/38/1066767338.db2.gz WQICJOYASMFSRC-UHFFFAOYSA-N 0 0 496.500 4.948 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)Cc3ccc(Br)cc3Cl)cc2)n1 ZINC001457123755 1066767685 /nfs/dbraw/zinc/76/76/85/1066767685.db2.gz IUAQKHAWBBNBPW-UHFFFAOYSA-N 0 0 451.704 4.775 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C[C@@H]1F ZINC001447030025 1066767890 /nfs/dbraw/zinc/76/78/90/1066767890.db2.gz OEEBHNOBQDMPJL-MBSDFSHPSA-N 0 0 452.551 4.975 20 0 JJADRN CCC1(CC)[C@H](NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)[C@@H](C)[C@@H]1OC ZINC001447029137 1066767964 /nfs/dbraw/zinc/76/79/64/1066767964.db2.gz SSBBRIORQFXSSH-SAIGTISXSA-N 0 0 458.599 4.825 20 0 JJADRN O=C(N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)C1(Cc2ccc(F)cc2)CC1 ZINC001447032885 1066768071 /nfs/dbraw/zinc/76/80/71/1066768071.db2.gz UZWSEJVZYMSFKY-UHFFFAOYSA-N 0 0 451.460 4.643 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC=CCO2)CCO1 ZINC001546087473 1066768121 /nfs/dbraw/zinc/76/81/21/1066768121.db2.gz MWSSYBQOZTUQAM-ZEQKJWHPSA-N 0 0 454.615 4.720 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)Cc3c(Cl)cccc3Br)cc2)n1 ZINC001457129928 1066768762 /nfs/dbraw/zinc/76/87/62/1066768762.db2.gz WVTGEYKMZYYSAJ-UHFFFAOYSA-N 0 0 451.704 4.775 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)C2)s1 ZINC001492656562 1066768914 /nfs/dbraw/zinc/76/89/14/1066768914.db2.gz CAAYLUKOTUVALV-LPHOPBHVSA-N 0 0 474.675 4.902 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492656561 1066768942 /nfs/dbraw/zinc/76/89/42/1066768942.db2.gz CAAYLUKOTUVALV-APWZRJJASA-N 0 0 474.675 4.902 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001492656546 1066768959 /nfs/dbraw/zinc/76/89/59/1066768959.db2.gz BMRNSUJAMVYJLE-NRFANRHFSA-N 0 0 475.659 4.890 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492656475 1066768990 /nfs/dbraw/zinc/76/89/90/1066768990.db2.gz IZGZSWHNVXBUBN-IBGZPJMESA-N 0 0 472.703 4.630 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001492656547 1066769016 /nfs/dbraw/zinc/76/90/16/1066769016.db2.gz BMRNSUJAMVYJLE-OAQYLSRUSA-N 0 0 475.659 4.890 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC001447049785 1066769034 /nfs/dbraw/zinc/76/90/34/1066769034.db2.gz FDQCHNHZUVCRPZ-UHFFFAOYSA-N 0 0 457.546 4.682 20 0 JJADRN COc1ccc(O)c(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 ZINC001447047301 1066769217 /nfs/dbraw/zinc/76/92/17/1066769217.db2.gz FNRLWOWBKJJIPL-UHFFFAOYSA-N 0 0 455.308 4.597 20 0 JJADRN COc1ccc(OC)c(CN(CCO)C(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC001447051294 1066769531 /nfs/dbraw/zinc/76/95/31/1066769531.db2.gz SKUSMQONOYSXNK-UHFFFAOYSA-N 0 0 452.576 4.502 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001492656760 1066769551 /nfs/dbraw/zinc/76/95/51/1066769551.db2.gz GMXZSCPCJSIZEH-VGSWGCGISA-N 0 0 483.682 4.678 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc2[nH]1 ZINC001447059213 1066770206 /nfs/dbraw/zinc/77/02/06/1066770206.db2.gz YDSHVAVFMVDPHI-RUZDIDTESA-N 0 0 455.514 4.697 20 0 JJADRN Cc1ccc(CCCC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001457137854 1066770424 /nfs/dbraw/zinc/77/04/24/1066770424.db2.gz RFMIOFWXGGQMCZ-RUZDIDTESA-N 0 0 457.542 4.905 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)s2)c(C)c1 ZINC001447066459 1066770732 /nfs/dbraw/zinc/77/07/32/1066770732.db2.gz FVKSCJRQSXPNRT-OAQYLSRUSA-N 0 0 456.011 4.572 20 0 JJADRN Cc1cccc(Oc2ccccc2C(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001447066250 1066770822 /nfs/dbraw/zinc/77/08/22/1066770822.db2.gz FBJFXEQKVCWRHY-XMMPIXPASA-N 0 0 450.966 4.932 20 0 JJADRN Cc1nc(C)c(CCn2c(CCc3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492657190 1066770860 /nfs/dbraw/zinc/77/08/60/1066770860.db2.gz OWLURKXHJWCIQK-UHFFFAOYSA-N 0 0 491.583 4.727 20 0 JJADRN Cc1nc(C)c(CCn2c(N3CCC(O)(Cc4ccccc4F)CC3)nnc2C(C)(C)C)s1 ZINC001492657622 1066771052 /nfs/dbraw/zinc/77/10/52/1066771052.db2.gz WHKFTOAETNCALU-UHFFFAOYSA-N 0 0 471.646 4.605 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)s1 ZINC001492657646 1066771089 /nfs/dbraw/zinc/77/10/89/1066771089.db2.gz YZMGMECTDKTOMN-UHFFFAOYSA-N 0 0 498.672 4.674 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@@H]2C)CCO1 ZINC001546087111 1066770985 /nfs/dbraw/zinc/77/09/85/1066770985.db2.gz GRPMNKVKMKMNMC-WJONJSRFSA-N 0 0 453.414 4.930 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@H]2C)CCO1 ZINC001546087112 1066771148 /nfs/dbraw/zinc/77/11/48/1066771148.db2.gz GRPMNKVKMKMNMC-XCGNWRKASA-N 0 0 453.414 4.930 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492657548 1066771459 /nfs/dbraw/zinc/77/14/59/1066771459.db2.gz XCEDUZNNCPFDLW-ZYSBOAIWSA-N 0 0 457.669 4.796 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1cc(Cc2ccccc2)ccc1O ZINC001447090225 1066771919 /nfs/dbraw/zinc/77/19/19/1066771919.db2.gz CESFCARWXKFOAZ-UHFFFAOYSA-N 0 0 450.951 4.822 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cc2ccccc2)ccc1O)c1ccccc1 ZINC001447092606 1066772152 /nfs/dbraw/zinc/77/21/52/1066772152.db2.gz JWIQAOJUGDREFJ-AREMUKBSSA-N 0 0 450.538 4.963 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2c(C)cc(Br)cc2Cl)n1 ZINC001457145934 1066772626 /nfs/dbraw/zinc/77/26/26/1066772626.db2.gz CHIYUEOUNYHLAR-LLVKDONJSA-N 0 0 450.720 4.961 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)OC2CCCC2)s1 ZINC001492658476 1066773074 /nfs/dbraw/zinc/77/30/74/1066773074.db2.gz DZIOAJYFLGYEKV-UHFFFAOYSA-N 0 0 454.600 4.579 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccnc2OCCOC)CCO1 ZINC001546087553 1066773067 /nfs/dbraw/zinc/77/30/67/1066773067.db2.gz OALWHBRRFWIXFB-NDEPHWFRSA-N 0 0 493.652 4.716 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)CC2)n1 ZINC001457146813 1066773089 /nfs/dbraw/zinc/77/30/89/1066773089.db2.gz ZLUVCCMCJGWLEH-OAQYLSRUSA-N 0 0 459.590 4.624 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492658403 1066773198 /nfs/dbraw/zinc/77/31/98/1066773198.db2.gz QXKYZGCYFYKFSR-UHFFFAOYSA-N 0 0 467.546 4.517 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C12CCCC2 ZINC001457149145 1066773587 /nfs/dbraw/zinc/77/35/87/1066773587.db2.gz ZLFVVKOWPIEVLI-STQMWFEESA-N 0 0 451.707 4.551 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccc(Br)n2)CCO1 ZINC001546087588 1066773676 /nfs/dbraw/zinc/77/36/76/1066773676.db2.gz OSPDYWMMGOPUQM-NRFANRHFSA-N 0 0 494.796 4.949 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492658883 1066773988 /nfs/dbraw/zinc/77/39/88/1066773988.db2.gz KNAKOMXKQGLYNM-HZPDHXFCSA-N 0 0 459.591 4.683 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nccn2C(F)F)CCO1 ZINC001546087651 1066774041 /nfs/dbraw/zinc/77/40/41/1066774041.db2.gz QCMLIQPZXCQMLV-XMMPIXPASA-N 0 0 458.557 4.888 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001492658928 1066774087 /nfs/dbraw/zinc/77/40/87/1066774087.db2.gz LIPIPYZBULUJSA-ZDUSSCGKSA-N 0 0 476.444 4.833 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492658893 1066774172 /nfs/dbraw/zinc/77/41/72/1066774172.db2.gz ZHZMQKLGOUAAAX-HNNXBMFYSA-N 0 0 494.434 4.831 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 ZINC001447106934 1066774412 /nfs/dbraw/zinc/77/44/12/1066774412.db2.gz VIZUYSGVCGYCND-IBGZPJMESA-N 0 0 452.624 4.829 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1 ZINC001457154135 1066774661 /nfs/dbraw/zinc/77/46/61/1066774661.db2.gz BWVONPHUIGPABJ-QGZVFWFLSA-N 0 0 452.551 4.772 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCCCc2ccccc2)s1 ZINC001492658979 1066774745 /nfs/dbraw/zinc/77/47/45/1066774745.db2.gz MFWFXZNEOODDCB-UHFFFAOYSA-N 0 0 475.622 4.506 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492659092 1066774762 /nfs/dbraw/zinc/77/47/62/1066774762.db2.gz PVZQXVIRMYRFTO-INIZCTEOSA-N 0 0 476.444 4.692 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)cc1 ZINC001447111986 1066774985 /nfs/dbraw/zinc/77/49/85/1066774985.db2.gz SCDFNJRYYGIEBX-RPWUZVMVSA-N 0 0 456.652 4.847 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOc2ncccc2F)CCO1 ZINC001546087770 1066775205 /nfs/dbraw/zinc/77/52/05/1066775205.db2.gz SNPBHDFDLUEMLX-AREMUKBSSA-N 0 0 467.589 4.861 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCS2)CCO1 ZINC001546087725 1066775214 /nfs/dbraw/zinc/77/52/14/1066775214.db2.gz RQKWYEJPHUKTGW-YADARESESA-N 0 0 460.644 4.642 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492659320 1066775259 /nfs/dbraw/zinc/77/52/59/1066775259.db2.gz XWSWFZUCRPYBNA-CQSZACIVSA-N 0 0 496.862 4.955 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC001447114172 1066775557 /nfs/dbraw/zinc/77/55/57/1066775557.db2.gz TYGRUNWHNVQYQU-UHFFFAOYSA-N 0 0 454.976 4.558 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492659402 1066775712 /nfs/dbraw/zinc/77/57/12/1066775712.db2.gz ZXMRUDXNSLPQBR-CHWSQXEVSA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492659444 1066775727 /nfs/dbraw/zinc/77/57/27/1066775727.db2.gz BMODXWPTZBTBJO-LAUBAEHRSA-N 0 0 496.681 4.534 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492659443 1066775737 /nfs/dbraw/zinc/77/57/37/1066775737.db2.gz BMODXWPTZBTBJO-DYESRHJHSA-N 0 0 496.681 4.534 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001492659446 1066775755 /nfs/dbraw/zinc/77/57/55/1066775755.db2.gz BMODXWPTZBTBJO-UWJYYQICSA-N 0 0 496.681 4.534 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2CCO[C@H](C)C2)CCO1 ZINC001546087806 1066775869 /nfs/dbraw/zinc/77/58/69/1066775869.db2.gz UGEUUNFKJBUPCD-NXMSCROESA-N 0 0 463.022 4.818 20 0 JJADRN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447116883 1066776058 /nfs/dbraw/zinc/77/60/58/1066776058.db2.gz XOHSDRWKUDTLCT-IBGZPJMESA-N 0 0 455.299 4.726 20 0 JJADRN Cc1nc(C)c(Cn2c(CC3CCCC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659513 1066776436 /nfs/dbraw/zinc/77/64/36/1066776436.db2.gz DAHVYNOCKAVGGX-OXQOHEQNSA-N 0 0 488.702 4.872 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC(c4ccccn4)CC3)cc2Br)on1 ZINC001447119121 1066776439 /nfs/dbraw/zinc/77/64/39/1066776439.db2.gz DAHFYTLTPXEINM-UHFFFAOYSA-N 0 0 456.340 4.739 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(Br)c1 ZINC001447126117 1066776773 /nfs/dbraw/zinc/77/67/73/1066776773.db2.gz GJLRVPHPVRWVPU-QGZVFWFLSA-N 0 0 457.434 4.523 20 0 JJADRN Cc1ccc(CSc2nc(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)n[nH]2)cc1 ZINC001457161773 1066776765 /nfs/dbraw/zinc/77/67/65/1066776765.db2.gz NPMRUEBTGCPWMI-UHFFFAOYSA-N 0 0 451.531 4.501 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CC[C@H](SC)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457163507 1066776830 /nfs/dbraw/zinc/77/68/30/1066776830.db2.gz LAYJOJIDDWPDCQ-FKFVHYFGSA-N 0 0 452.620 4.888 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492660163 1066777492 /nfs/dbraw/zinc/77/74/92/1066777492.db2.gz IZDABRDMDPSGJH-TZIWHRDSSA-N 0 0 461.676 4.712 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC001457165568 1066777524 /nfs/dbraw/zinc/77/75/24/1066777524.db2.gz PRVHTQQINNKFHG-OAHLLOKOSA-N 0 0 455.299 4.974 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001492659968 1066777562 /nfs/dbraw/zinc/77/75/62/1066777562.db2.gz GACFDPIUAZGLJZ-GBESFXJTSA-N 0 0 474.675 4.653 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1c1ccc(C)o1 ZINC001457165723 1066777591 /nfs/dbraw/zinc/77/75/91/1066777591.db2.gz COBCNSOFZPGROW-PMACEKPBSA-N 0 0 456.539 4.522 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)NC(=O)OC(C)(C)C ZINC001447148541 1066778048 /nfs/dbraw/zinc/77/80/48/1066778048.db2.gz VCNZBWNMKOYEHK-MJGOQNOKSA-N 0 0 456.530 4.517 20 0 JJADRN CC[C@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1C1CC1 ZINC001447141449 1066778118 /nfs/dbraw/zinc/77/81/18/1066778118.db2.gz LVBSUYRMNWRCHJ-HNNXBMFYSA-N 0 0 456.543 4.924 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CCC(=O)NCCc4csc(C(C)(C)C)n4)[nH]c(=O)c23)C1 ZINC001447155519 1066778590 /nfs/dbraw/zinc/77/85/90/1066778590.db2.gz AYWBFJBSAJAZIE-CYBMUJFWSA-N 0 0 458.653 4.567 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(CC(C)C)nnc3N3CCC(CC(F)(F)F)CC3)cc2)n[nH]1 ZINC001492660770 1066778680 /nfs/dbraw/zinc/77/86/80/1066778680.db2.gz ULAQFMACXRZIML-UHFFFAOYSA-N 0 0 461.536 4.787 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)c1nc(-c2cccc(F)c2)no1 ZINC001457170140 1066779060 /nfs/dbraw/zinc/77/90/60/1066779060.db2.gz HHELILRNQVFJGB-NWDGAFQWSA-N 0 0 450.283 4.833 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546088025 1066779643 /nfs/dbraw/zinc/77/96/43/1066779643.db2.gz YHBOYAUDXZNTMM-FGZHOGPDSA-N 0 0 451.036 4.898 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001492661125 1066779752 /nfs/dbraw/zinc/77/97/52/1066779752.db2.gz DBTFFGKVVYOKCB-IBGZPJMESA-N 0 0 492.649 4.861 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OC(F)(F)F)CCO1 ZINC001546088057 1066780211 /nfs/dbraw/zinc/78/02/11/1066780211.db2.gz YWFQCNFNPIOLQE-OAQYLSRUSA-N 0 0 450.461 4.799 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@](C)(O)c2ccc(F)cc2)cs1 ZINC001492661299 1066780322 /nfs/dbraw/zinc/78/03/22/1066780322.db2.gz HJEUDIRQVIQNCP-WNSKOXEYSA-N 0 0 471.627 4.940 20 0 JJADRN Cc1c(C(=O)Nc2cnn(CC(C)C)c2C(F)F)cnn1-c1cccc(Br)c1 ZINC001447171595 1066780383 /nfs/dbraw/zinc/78/03/83/1066780383.db2.gz SHBCTOZTZXZVCP-UHFFFAOYSA-N 0 0 452.303 4.986 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@H](C)Oc4c(C)cc(Cl)cc4C)n3CC(C)C)CCO2)no1 ZINC001492661469 1066780774 /nfs/dbraw/zinc/78/07/74/1066780774.db2.gz BXQPLVYCJOLWNW-LPHOPBHVSA-N 0 0 474.993 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC001447186936 1066780813 /nfs/dbraw/zinc/78/08/13/1066780813.db2.gz ZSBHJGSXHHGHJM-QHCPKHFHSA-N 0 0 455.574 4.516 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2cncc3ccccc32)c(Cl)cc1Cl ZINC001447184136 1066780855 /nfs/dbraw/zinc/78/08/55/1066780855.db2.gz SHWQWHKUQAXSLB-UHFFFAOYSA-N 0 0 452.363 4.728 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001447178720 1066780922 /nfs/dbraw/zinc/78/09/22/1066780922.db2.gz WMAFQAJOOSVJOW-KRWDZBQOSA-N 0 0 450.894 4.704 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001447191376 1066781444 /nfs/dbraw/zinc/78/14/44/1066781444.db2.gz ALCRGCRISOQBBE-HXUWFJFHSA-N 0 0 454.998 4.926 20 0 JJADRN COc1ccccc1-c1[nH]nc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C ZINC001457184808 1066781835 /nfs/dbraw/zinc/78/18/35/1066781835.db2.gz UJOFLCIHGMBZEB-UHFFFAOYSA-N 0 0 454.571 4.760 20 0 JJADRN CCN(C(=O)c1ccc(COc2ccccc2OC)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457185694 1066781860 /nfs/dbraw/zinc/78/18/60/1066781860.db2.gz IZKLGHKJEWAZRS-UHFFFAOYSA-N 0 0 458.555 4.729 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2Cc2c(C)nn(C)c2C)cs1 ZINC001492662327 1066782403 /nfs/dbraw/zinc/78/24/03/1066782403.db2.gz RJBGQQOYMOCIRX-AWEZNQCLSA-N 0 0 471.581 4.508 20 0 JJADRN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC001447201854 1066782323 /nfs/dbraw/zinc/78/23/23/1066782323.db2.gz QFRDXHQGLZBNRP-FQEVSTJZSA-N 0 0 454.983 4.819 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)cc1 ZINC001447200826 1066782347 /nfs/dbraw/zinc/78/23/47/1066782347.db2.gz LVDHKJUOASCHNG-UHFFFAOYSA-N 0 0 457.574 4.562 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccccc1 ZINC001447214510 1066782759 /nfs/dbraw/zinc/78/27/59/1066782759.db2.gz ZAKUKBCTTUNOMP-AOYPEHQESA-N 0 0 458.558 4.605 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545993565 1066782846 /nfs/dbraw/zinc/78/28/46/1066782846.db2.gz YSUNNKSPBVUEGZ-SJORKVTESA-N 0 0 464.680 4.866 20 0 JJADRN CCN(C(=O)Cc1ccc(Br)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457189627 1066782802 /nfs/dbraw/zinc/78/28/02/1066782802.db2.gz YUQAHWJFOKJOOU-UHFFFAOYSA-N 0 0 459.812 4.893 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)c3c(C)noc3n2)c(C)s1 ZINC001457187949 1066782973 /nfs/dbraw/zinc/78/29/73/1066782973.db2.gz LKGOZNLJDJDHAT-SHTZXODSSA-N 0 0 456.568 4.662 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C1 ZINC001457190805 1066783410 /nfs/dbraw/zinc/78/34/10/1066783410.db2.gz SRAGWISJZVDUDA-WKILWMFISA-N 0 0 456.930 4.571 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(Br)cc1C(C)C ZINC001447215777 1066783452 /nfs/dbraw/zinc/78/34/52/1066783452.db2.gz HJNYHCUQPOLURL-UHFFFAOYSA-N 0 0 451.386 4.574 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCCC(F)(F)F)CCO2)no1 ZINC001492663150 1066783379 /nfs/dbraw/zinc/78/33/79/1066783379.db2.gz RUNTZDALHSLFFL-VQIMIIECSA-N 0 0 494.518 4.647 20 0 JJADRN C[C@](Cc1nc2ccccc2s1)(C(=O)N[C@H](CO)c1cc(F)ccc1F)c1ccccc1 ZINC001457192862 1066783748 /nfs/dbraw/zinc/78/37/48/1066783748.db2.gz RLOJROMPLXLUGB-PXDATVDWSA-N 0 0 452.526 4.925 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CCCC(F)(F)F)cs1 ZINC001492663755 1066784037 /nfs/dbraw/zinc/78/40/37/1066784037.db2.gz IVLYZSCIUDOQNK-INIZCTEOSA-N 0 0 494.587 4.632 20 0 JJADRN CCCCCn1cc(CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(C)n1 ZINC001447245080 1066784603 /nfs/dbraw/zinc/78/46/03/1066784603.db2.gz IJFZNRGJOKXLIK-UHFFFAOYSA-N 0 0 454.615 4.534 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252324 1066784932 /nfs/dbraw/zinc/78/49/32/1066784932.db2.gz QADATICROQGCLS-SCTDSRPQSA-N 0 0 457.395 4.890 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)NCc1csc(N(C)C)n1 ZINC001457195425 1066785085 /nfs/dbraw/zinc/78/50/85/1066785085.db2.gz GBHHVKPUDZWVBJ-UHFFFAOYSA-N 0 0 451.415 4.642 20 0 JJADRN Cc1cc(NC(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)ccc1C(=O)OC(C)(C)C ZINC001447260351 1066785372 /nfs/dbraw/zinc/78/53/72/1066785372.db2.gz QHJBPHUDOIHBCT-UHFFFAOYSA-N 0 0 458.559 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc(Br)cc2O)C1 ZINC001457196990 1066785578 /nfs/dbraw/zinc/78/55/78/1066785578.db2.gz DNIFMORCBRRZBX-NRFANRHFSA-N 0 0 453.377 4.551 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196806 1066785607 /nfs/dbraw/zinc/78/56/07/1066785607.db2.gz BVFNKWMTNOMUCT-LEWJYISDSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492665115 1066785677 /nfs/dbraw/zinc/78/56/77/1066785677.db2.gz XJIUFXNYVMKLPL-ZDUSSCGKSA-N 0 0 493.584 4.792 20 0 JJADRN CCc1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cnn1CC(C)C ZINC001447265025 1066786128 /nfs/dbraw/zinc/78/61/28/1066786128.db2.gz FWCSXPSEPWIFEW-UHFFFAOYSA-N 0 0 458.559 4.602 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CCOC[C@H]2C)cs1 ZINC001492665211 1066786260 /nfs/dbraw/zinc/78/62/60/1066786260.db2.gz AMRSRHUIEVEVQI-QAPCUYQASA-N 0 0 479.572 4.962 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492665300 1066786722 /nfs/dbraw/zinc/78/67/22/1066786722.db2.gz DBJIRZXTEWLTDL-UHFFFAOYSA-N 0 0 468.652 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC001457198318 1066786812 /nfs/dbraw/zinc/78/68/12/1066786812.db2.gz IGQYBNAFRXXEKB-SANMLTNESA-N 0 0 451.567 4.850 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492665401 1066786887 /nfs/dbraw/zinc/78/68/87/1066786887.db2.gz HGRDUYBFQMYRDQ-AVRDEDQJSA-N 0 0 496.681 4.916 20 0 JJADRN CCc1c(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cnn1CC(C)C ZINC001447275202 1066786932 /nfs/dbraw/zinc/78/69/32/1066786932.db2.gz SOMBSZLNDCUUGA-UHFFFAOYSA-N 0 0 454.596 4.771 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492665470 1066787303 /nfs/dbraw/zinc/78/73/03/1066787303.db2.gz JSBPAYHQSQXRQC-UHFFFAOYSA-N 0 0 467.668 4.776 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001457200758 1066787426 /nfs/dbraw/zinc/78/74/26/1066787426.db2.gz QUSDOOPGYUVQKW-KRWDZBQOSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457201823 1066787756 /nfs/dbraw/zinc/78/77/56/1066787756.db2.gz SAMRHBVRHSYFMV-SFTDATJTSA-N 0 0 452.551 4.544 20 0 JJADRN CC(C)c1nnc([C@@H](C)NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)[nH]1 ZINC001447284279 1066787910 /nfs/dbraw/zinc/78/79/10/1066787910.db2.gz GQANKXBRHPROQU-QGZVFWFLSA-N 0 0 457.644 4.740 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1 ZINC001447298456 1066788690 /nfs/dbraw/zinc/78/86/90/1066788690.db2.gz FJMFKYHLSCVDTN-UHFFFAOYSA-N 0 0 455.461 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001457204411 1066788990 /nfs/dbraw/zinc/78/89/90/1066788990.db2.gz WKAXHVKBQSBJHK-LVXARBLLSA-N 0 0 452.599 4.714 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cc2cnc3ccccc3n2)c1 ZINC001447304597 1066789253 /nfs/dbraw/zinc/78/92/53/1066789253.db2.gz FMVLDXXHTDYXRA-NFQMXDRXSA-N 0 0 455.558 4.579 20 0 JJADRN C[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457207512 1066789841 /nfs/dbraw/zinc/78/98/41/1066789841.db2.gz JGVFELZYJNPWMK-SUMWQHHRSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC2CCOCC2)cs1 ZINC001492666130 1066789983 /nfs/dbraw/zinc/78/99/83/1066789983.db2.gz IGRJGBMNZOTZDG-UHFFFAOYSA-N 0 0 465.545 4.716 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)cs1 ZINC001492666137 1066790036 /nfs/dbraw/zinc/79/00/36/1066790036.db2.gz IKKHPIXPSAJYDC-JTSKRJEESA-N 0 0 475.062 4.770 20 0 JJADRN Cc1nnc(SCC(=O)NC2(c3ccc(F)cc3F)CCCCC2)n1Cc1ccccc1 ZINC001447315875 1066791069 /nfs/dbraw/zinc/79/10/69/1066791069.db2.gz XMYJAUFBNYCHHH-UHFFFAOYSA-N 0 0 456.562 4.981 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2c(C)noc2C)cs1 ZINC001492666388 1066791083 /nfs/dbraw/zinc/79/10/83/1066791083.db2.gz RSKSBEQSYFOATF-UHFFFAOYSA-N 0 0 460.966 4.716 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457210094 1066791302 /nfs/dbraw/zinc/79/13/02/1066791302.db2.gz UJOUXFNXGAXMNG-OAHLLOKOSA-N 0 0 450.766 4.913 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CCc2nc(C(F)(F)F)cs2)cs1 ZINC001492666422 1066791438 /nfs/dbraw/zinc/79/14/38/1066791438.db2.gz SRSPWLVIXITDIY-UHFFFAOYSA-N 0 0 482.557 4.890 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H]2CCC=CO2)cs1 ZINC001492666408 1066791450 /nfs/dbraw/zinc/79/14/50/1066791450.db2.gz SFPUHOUNQJNUSD-IBGZPJMESA-N 0 0 474.428 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001447317419 1066791530 /nfs/dbraw/zinc/79/15/30/1066791530.db2.gz ZMSKRHDQICTVCH-XWGVYQGASA-N 0 0 450.579 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2Cc2c(C)noc2C)cs1 ZINC001492666464 1066791899 /nfs/dbraw/zinc/79/18/99/1066791899.db2.gz UXRFFVXCWIIGAE-UHFFFAOYSA-N 0 0 466.611 4.711 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC2(O)CCCCCC2)cs1 ZINC001492666516 1066791906 /nfs/dbraw/zinc/79/19/06/1066791906.db2.gz XHIKXOCZESULIT-UHFFFAOYSA-N 0 0 491.608 4.957 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001447321764 1066792013 /nfs/dbraw/zinc/79/20/13/1066792013.db2.gz VBEPPGUIRHIBMI-HDICACEKSA-N 0 0 459.472 4.834 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457213032 1066792030 /nfs/dbraw/zinc/79/20/30/1066792030.db2.gz CKSQZWHTUDDQPG-UHFFFAOYSA-N 0 0 455.308 4.910 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492666462 1066792058 /nfs/dbraw/zinc/79/20/58/1066792058.db2.gz UXAUFEAEBADTRK-UHFFFAOYSA-N 0 0 462.501 4.634 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)s1 ZINC001457212898 1066792194 /nfs/dbraw/zinc/79/21/94/1066792194.db2.gz KPLTXLFDTUVINY-APWZRJJASA-N 0 0 450.626 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCNC(=O)OC(C)(C)C)cs1 ZINC001492666572 1066792378 /nfs/dbraw/zinc/79/23/78/1066792378.db2.gz ZAJVGPQUTUVTSD-UHFFFAOYSA-N 0 0 495.024 4.587 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001492666865 1066792395 /nfs/dbraw/zinc/79/23/95/1066792395.db2.gz KIESXKXXYIEVPP-OAHLLOKOSA-N 0 0 486.589 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccon3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)cs1 ZINC001492666811 1066792463 /nfs/dbraw/zinc/79/24/63/1066792463.db2.gz IYCLLRMPINDVQT-IBGZPJMESA-N 0 0 480.491 4.879 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CCO2)cc1OC ZINC001457216245 1066792546 /nfs/dbraw/zinc/79/25/46/1066792546.db2.gz XEWXPRXBBNNBLC-MJLBXUHQSA-N 0 0 455.860 4.903 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC3([C@H]4CCCO4)CCC3)ccc2C)c(C)c1 ZINC001457217256 1066792578 /nfs/dbraw/zinc/79/25/78/1066792578.db2.gz SATRDVLUKMUILV-JOCHJYFZSA-N 0 0 456.608 4.553 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2cc(Br)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447325194 1066792596 /nfs/dbraw/zinc/79/25/96/1066792596.db2.gz ARXFHBCFTYXLGW-KBXCAEBGSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)c(F)c2F)s1 ZINC001492667174 1066792838 /nfs/dbraw/zinc/79/28/38/1066792838.db2.gz WYDUXQRUQLFTET-UHFFFAOYSA-N 0 0 478.569 4.695 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC001447326612 1066792858 /nfs/dbraw/zinc/79/28/58/1066792858.db2.gz LKITTXZXCIERQP-QGZVFWFLSA-N 0 0 456.999 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N3CC=C(C(F)(F)F)CC3)s2)CC1 ZINC001447326120 1066792970 /nfs/dbraw/zinc/79/29/70/1066792970.db2.gz DFTNRASBTCPNFR-UHFFFAOYSA-N 0 0 459.534 4.667 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001492667343 1066793492 /nfs/dbraw/zinc/79/34/92/1066793492.db2.gz CMZXFGAKMKWCIK-UHFFFAOYSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 ZINC001457222867 1066793601 /nfs/dbraw/zinc/79/36/01/1066793601.db2.gz BEPUFLJSFLPELI-DLBZAZTESA-N 0 0 463.390 4.820 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329618 1066794120 /nfs/dbraw/zinc/79/41/20/1066794120.db2.gz HIGQJJRSACHWST-KNKQGSTJSA-N 0 0 453.583 4.987 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCCC3)n2CCCN(C)CC(F)(F)F)cs1 ZINC001492667431 1066794038 /nfs/dbraw/zinc/79/40/38/1066794038.db2.gz FMYMGGABZXCZIW-UHFFFAOYSA-N 0 0 458.598 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC2=CCCCC2)cs1 ZINC001492666694 1066794113 /nfs/dbraw/zinc/79/41/13/1066794113.db2.gz DQKDQFZATSREFE-UHFFFAOYSA-N 0 0 465.549 4.523 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2Cc2ccc(C(C)(F)F)cc2)cs1 ZINC001492667540 1066794607 /nfs/dbraw/zinc/79/46/07/1066794607.db2.gz INCXQKMUCARQGP-UHFFFAOYSA-N 0 0 461.582 4.657 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2CC(C)(C)c2ccc(F)cc2)cs1 ZINC001492667811 1066795044 /nfs/dbraw/zinc/79/50/44/1066795044.db2.gz PSTCCJLUVNZFIR-UHFFFAOYSA-N 0 0 487.645 4.586 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H]2CCCCC(F)(F)C2)cs1 ZINC001492667923 1066795055 /nfs/dbraw/zinc/79/50/55/1066795055.db2.gz SPPWYHPLKAYBJM-QZTJIDSGSA-N 0 0 453.603 4.712 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCCCC(F)(F)C2)cs1 ZINC001492667922 1066795063 /nfs/dbraw/zinc/79/50/63/1066795063.db2.gz SPPWYHPLKAYBJM-MSOLQXFVSA-N 0 0 453.603 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCc1ccc(Br)cc1C(F)(F)F)C2 ZINC001447335091 1066795431 /nfs/dbraw/zinc/79/54/31/1066795431.db2.gz RAORCIKHTBANMS-YCPHGPKFSA-N 0 0 477.321 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](F)c2ccc(Br)cc2)cs1 ZINC001492668098 1066795493 /nfs/dbraw/zinc/79/54/93/1066795493.db2.gz YNHGNZFZWXEQOJ-HNAYVOBHSA-N 0 0 494.434 4.580 20 0 JJADRN CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c(O)c(C(C)C)c1 ZINC001447336532 1066795880 /nfs/dbraw/zinc/79/58/80/1066795880.db2.gz TUSWHOUFYUYSAF-HXUWFJFHSA-N 0 0 459.384 4.715 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC[C@@H]1c1ccccc1 ZINC001447338058 1066795920 /nfs/dbraw/zinc/79/59/20/1066795920.db2.gz CYHPZXNXUBGPIR-XMMPIXPASA-N 0 0 452.551 4.923 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001457235298 1066796025 /nfs/dbraw/zinc/79/60/25/1066796025.db2.gz VDXRXRWRGBVOLY-GOSISDBHSA-N 0 0 452.776 4.732 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)cs1 ZINC001492668300 1066795858 /nfs/dbraw/zinc/79/58/58/1066795858.db2.gz FWNPWLROSYHREQ-QHCPKHFHSA-N 0 0 488.082 4.935 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccc3)n2Cc2ccncc2Cl)cs1 ZINC001492668332 1066795915 /nfs/dbraw/zinc/79/59/15/1066795915.db2.gz GUKMSVLUNMYAFO-UHFFFAOYSA-N 0 0 453.015 4.800 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3cccs3)n2C[C@H](C)Oc2ccccc2)cs1 ZINC001492668482 1066796307 /nfs/dbraw/zinc/79/63/07/1066796307.db2.gz MOSLVLIWMDVJJU-KRWDZBQOSA-N 0 0 453.637 4.842 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C ZINC001457236858 1066796628 /nfs/dbraw/zinc/79/66/28/1066796628.db2.gz ZUWSQQRNQWWUPQ-MOPGFXCFSA-N 0 0 451.567 4.506 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492668572 1066796822 /nfs/dbraw/zinc/79/68/22/1066796822.db2.gz QBIDPUQIUXRZJM-NZQKXSOJSA-N 0 0 475.703 4.728 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2cncc(C(F)(F)F)c2)cc1 ZINC001457239979 1066796997 /nfs/dbraw/zinc/79/69/97/1066796997.db2.gz WEIKYEPWLMKNKU-UHFFFAOYSA-N 0 0 453.461 4.575 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC001447345925 1066796932 /nfs/dbraw/zinc/79/69/32/1066796932.db2.gz HGKRTTASJLGGQW-YOEHRIQHSA-N 0 0 461.921 4.831 20 0 JJADRN CON(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001457244190 1066797772 /nfs/dbraw/zinc/79/77/72/1066797772.db2.gz GBSMJNJRRFXPFO-LJQANCHMSA-N 0 0 452.523 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CCc2nc(C)c(C)s2)cs1 ZINC001492669295 1066797752 /nfs/dbraw/zinc/79/77/52/1066797752.db2.gz PEXICSJTEJTOLI-UHFFFAOYSA-N 0 0 486.642 4.604 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001457263551 1066798716 /nfs/dbraw/zinc/79/87/16/1066798716.db2.gz DLSXTVKATZCKDX-HXUWFJFHSA-N 0 0 456.542 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC001457260929 1066798743 /nfs/dbraw/zinc/79/87/43/1066798743.db2.gz ZKRTXJSYDOHEMV-KPKJPENVSA-N 0 0 454.954 4.826 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@@H]2CC(F)(F)CO2)cs1 ZINC001492670047 1066799055 /nfs/dbraw/zinc/79/90/55/1066799055.db2.gz MJCVCJKXLFXWLT-INIZCTEOSA-N 0 0 453.584 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCc2ccccc2OC(F)F)cs1 ZINC001492670060 1066799197 /nfs/dbraw/zinc/79/91/97/1066799197.db2.gz MPSGHEWWSYOHHF-UHFFFAOYSA-N 0 0 463.554 4.788 20 0 JJADRN Cc1ccc(I)c(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC001447365224 1066799248 /nfs/dbraw/zinc/79/92/48/1066799248.db2.gz ZDRDACHYQPFDSM-OAQYLSRUSA-N 0 0 457.311 4.730 20 0 JJADRN Cc1ccc(I)c(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC001447365222 1066799272 /nfs/dbraw/zinc/79/92/72/1066799272.db2.gz ZDRDACHYQPFDSM-NRFANRHFSA-N 0 0 457.311 4.730 20 0 JJADRN Cc1ccc(SC2(CNC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)CCCC2)cc1 ZINC001457264414 1066799294 /nfs/dbraw/zinc/79/92/94/1066799294.db2.gz FEJWZXPCPJRGAO-UHFFFAOYSA-N 0 0 458.070 4.846 20 0 JJADRN O=C(CN(Cc1ccccc1)c1ccccc1)NCCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001457265789 1066799550 /nfs/dbraw/zinc/79/95/50/1066799550.db2.gz ILADHTUDINHBCP-UHFFFAOYSA-N 0 0 458.993 4.950 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccccc3)C3CC3)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492670299 1066799670 /nfs/dbraw/zinc/79/96/70/1066799670.db2.gz RLRNBORJIIPGSU-UHFFFAOYSA-N 0 0 482.654 4.718 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2sc(C)cc2Br)n1 ZINC001457265725 1066799699 /nfs/dbraw/zinc/79/96/99/1066799699.db2.gz JPONKFFRBWTRBQ-UHFFFAOYSA-N 0 0 456.749 4.964 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001447366679 1066799709 /nfs/dbraw/zinc/79/97/09/1066799709.db2.gz NXFPHWUKTCZFDC-GOSISDBHSA-N 0 0 452.437 4.702 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001457267259 1066799814 /nfs/dbraw/zinc/79/98/14/1066799814.db2.gz ORXSJQXRQICBBR-KZULUSFZSA-N 0 0 454.493 4.656 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492670704 1066799969 /nfs/dbraw/zinc/79/99/69/1066799969.db2.gz IWZYYHFPNLOWRU-RYUDHWBXSA-N 0 0 453.509 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCc2nc(C(F)(F)F)cs2)cs1 ZINC001492670387 1066800006 /nfs/dbraw/zinc/80/00/06/1066800006.db2.gz UDIQHCDGFARMTH-UHFFFAOYSA-N 0 0 472.562 4.662 20 0 JJADRN C[C@@H](C(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21)n1ccc(C(F)(F)F)n1 ZINC001457269259 1066800807 /nfs/dbraw/zinc/80/08/07/1066800807.db2.gz WRIGWQLVPWJBGP-IRXDYDNUSA-N 0 0 456.468 4.679 20 0 JJADRN C[C@@H](C(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21)n1ccc(C(F)(F)F)n1 ZINC001457269271 1066800838 /nfs/dbraw/zinc/80/08/38/1066800838.db2.gz WRIGWQLVPWJBGP-SJORKVTESA-N 0 0 456.468 4.679 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C)C3)n2Cc2sccc2Br)cs1 ZINC001492670875 1066801283 /nfs/dbraw/zinc/80/12/83/1066801283.db2.gz MBABZLDZTKMCHV-VXGBXAGGSA-N 0 0 452.447 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2Cc2cccnc2OCC(F)(F)F)cs1 ZINC001492670963 1066801308 /nfs/dbraw/zinc/80/13/08/1066801308.db2.gz NTYHSPZTNLSOPP-GJZGRUSLSA-N 0 0 480.560 4.643 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)C1 ZINC001447374740 1066801558 /nfs/dbraw/zinc/80/15/58/1066801558.db2.gz BYTYMXWGFNCHKS-YADHBBJMSA-N 0 0 454.659 4.812 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)c1ccc(OCC2CCCCC2)cc1 ZINC001457277242 1066801982 /nfs/dbraw/zinc/80/19/82/1066801982.db2.gz IIBFYVIPKDPXSD-UHFFFAOYSA-N 0 0 459.340 4.991 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(OCC(C)C)cc2)cs1 ZINC001492671387 1066801970 /nfs/dbraw/zinc/80/19/70/1066801970.db2.gz VRKFCGZVNWMNMY-GOSISDBHSA-N 0 0 469.655 4.721 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545995227 1066801999 /nfs/dbraw/zinc/80/19/99/1066801999.db2.gz OJMTVRGTOMUDPW-WOJBJXKFSA-N 0 0 475.609 4.577 20 0 JJADRN C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CSCC(=O)N(C)C1CCCCC1 ZINC001447382215 1066802062 /nfs/dbraw/zinc/80/20/62/1066802062.db2.gz WAIQUHKJQCGSHP-HXUWFJFHSA-N 0 0 457.684 4.869 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)c(Cl)c1 ZINC001457276475 1066802104 /nfs/dbraw/zinc/80/21/04/1066802104.db2.gz DRZFEVYWKPUUJW-UHFFFAOYSA-N 0 0 453.720 4.865 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492671544 1066802585 /nfs/dbraw/zinc/80/25/85/1066802585.db2.gz YRHINBQCPUHQDO-XLIONFOSSA-N 0 0 488.702 4.810 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(Cl)c(Br)c(OC)c2N)c2ncccc12 ZINC001447387284 1066802777 /nfs/dbraw/zinc/80/27/77/1066802777.db2.gz PGUZHAJZCWCXOT-UHFFFAOYSA-N 0 0 450.720 4.893 20 0 JJADRN C[C@](O)(C1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1)C(F)(F)F ZINC001447394269 1066802892 /nfs/dbraw/zinc/80/28/92/1066802892.db2.gz PIAJZQLBPGFKAS-QFIPXVFZSA-N 0 0 450.457 4.601 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001447396273 1066803395 /nfs/dbraw/zinc/80/33/95/1066803395.db2.gz GAKASZQDXUMGOA-UHFFFAOYSA-N 0 0 454.567 4.809 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)c1cc(Cl)cc(Cl)c1)CCO2 ZINC001457282887 1066803327 /nfs/dbraw/zinc/80/33/27/1066803327.db2.gz FMDYHCNJCSMFEI-UHFFFAOYSA-N 0 0 459.123 4.577 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCCC2CCCC2)cs1 ZINC001492671882 1066803712 /nfs/dbraw/zinc/80/37/12/1066803712.db2.gz HEROWCVRVBPZPM-UHFFFAOYSA-N 0 0 472.703 4.687 20 0 JJADRN COCCOc1cccc(COC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001457286472 1066803916 /nfs/dbraw/zinc/80/39/16/1066803916.db2.gz HPCRFNBIBCKFLM-OCUNKTDNSA-N 0 0 457.954 4.503 20 0 JJADRN COCCOc1cccc(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c1 ZINC001457284167 1066803946 /nfs/dbraw/zinc/80/39/46/1066803946.db2.gz FCZXWWZJBKJMOF-UHFFFAOYSA-N 0 0 458.514 4.930 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCC2 ZINC001447400064 1066804017 /nfs/dbraw/zinc/80/40/17/1066804017.db2.gz LQXIBBATIJKCDU-UHFFFAOYSA-N 0 0 452.595 4.888 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCc2csc(C(C)C)n2)cs1 ZINC001492671821 1066803975 /nfs/dbraw/zinc/80/39/75/1066803975.db2.gz GCVSBXKFBICMAT-GJZGRUSLSA-N 0 0 462.714 4.787 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)cs1 ZINC001492672273 1066804468 /nfs/dbraw/zinc/80/44/68/1066804468.db2.gz REFWTYNGYZQYAR-UHFFFAOYSA-N 0 0 470.687 4.608 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492672276 1066804533 /nfs/dbraw/zinc/80/45/33/1066804533.db2.gz RHZPGWIFKLHECZ-GBESFXJTSA-N 0 0 471.696 4.817 20 0 JJADRN COc1ccc(COC(=O)c2nnn(Cc3ccc(F)cc3)c2C)cc1SC(F)(F)F ZINC001457289718 1066804404 /nfs/dbraw/zinc/80/44/04/1066804404.db2.gz JIBJUQRJWRJAHX-UHFFFAOYSA-N 0 0 455.433 4.751 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC001447403179 1066804462 /nfs/dbraw/zinc/80/44/62/1066804462.db2.gz DBWUANNMEKAWSQ-KOSHJBKYSA-N 0 0 452.576 4.510 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@H](C)Cc3ccsc3)C2)c2ccccc12 ZINC001457288511 1066804480 /nfs/dbraw/zinc/80/44/80/1066804480.db2.gz ZETXGAJSWABCPS-UYAOXDASSA-N 0 0 450.604 4.852 20 0 JJADRN C/C(=C/C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1)c1ccccc1C ZINC001457289318 1066804603 /nfs/dbraw/zinc/80/46/03/1066804603.db2.gz CHNWOQUSONDRPG-ZPHPHTNESA-N 0 0 459.587 4.630 20 0 JJADRN CCOc1cc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)ccc1OCc1cccnc1 ZINC001447404079 1066804578 /nfs/dbraw/zinc/80/45/78/1066804578.db2.gz MWTVVMDAAMRKKR-XMMPIXPASA-N 0 0 452.938 4.926 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492672749 1066805014 /nfs/dbraw/zinc/80/50/14/1066805014.db2.gz XLVDLFXREPRPKF-MBSDFSHPSA-N 0 0 493.599 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492672741 1066805019 /nfs/dbraw/zinc/80/50/19/1066805019.db2.gz FTDLPEMBEIXAQI-WSTLGDPDSA-N 0 0 474.675 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492672739 1066805048 /nfs/dbraw/zinc/80/50/48/1066805048.db2.gz FTDLPEMBEIXAQI-MFHCWRBVSA-N 0 0 474.675 4.590 20 0 JJADRN CCC1(CC)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCS1 ZINC001447407718 1066805146 /nfs/dbraw/zinc/80/51/46/1066805146.db2.gz YJGUKCHNCKNTCO-IBGZPJMESA-N 0 0 454.636 4.835 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2Cc2cccc(Br)n2)cs1 ZINC001492673069 1066805548 /nfs/dbraw/zinc/80/55/48/1066805548.db2.gz LHWBHHYHHRQJQZ-UHFFFAOYSA-N 0 0 475.460 4.712 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Oc1ccccc1F ZINC001545995474 1066805709 /nfs/dbraw/zinc/80/57/09/1066805709.db2.gz SVWNTOLPXJLFSR-IBGZPJMESA-N 0 0 473.637 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)cs1 ZINC001492673350 1066806311 /nfs/dbraw/zinc/80/63/11/1066806311.db2.gz RFUXNRUPZVGXNY-ROUUACIJSA-N 0 0 481.670 4.694 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CCCCC1 ZINC001447415221 1066806352 /nfs/dbraw/zinc/80/63/52/1066806352.db2.gz VQIDUJLUIMXJHB-UHFFFAOYSA-N 0 0 452.599 4.826 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC001447416034 1066806454 /nfs/dbraw/zinc/80/64/54/1066806454.db2.gz GXMANXZILSUKRF-UHFFFAOYSA-N 0 0 458.606 4.678 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C[C@]34CCC[C@H]3OCC4)c2)cc1 ZINC001457298475 1066807065 /nfs/dbraw/zinc/80/70/65/1066807065.db2.gz YTCJYUSHSQCVKU-AOYPEHQESA-N 0 0 470.635 4.861 20 0 JJADRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1sc2ccccc2c1C ZINC001447418717 1066807004 /nfs/dbraw/zinc/80/70/04/1066807004.db2.gz ZCMUQVIACLQEQC-LMMKCTJWSA-N 0 0 459.656 4.613 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492673651 1066807284 /nfs/dbraw/zinc/80/72/84/1066807284.db2.gz YUXMBGWIGZHWRM-MJGOQNOKSA-N 0 0 488.702 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492673727 1066807414 /nfs/dbraw/zinc/80/74/14/1066807414.db2.gz AOIKIELROWUHCV-IBGZPJMESA-N 0 0 454.644 4.737 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)c1ccccc1 ZINC001545995571 1066807588 /nfs/dbraw/zinc/80/75/88/1066807588.db2.gz VDOJQNKFWBAVTK-JTHBVZDNSA-N 0 0 466.674 4.643 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1)NC(=O)OC(C)(C)C ZINC001545995656 1066807926 /nfs/dbraw/zinc/80/79/26/1066807926.db2.gz WKKBGXNJZANJHM-GOSISDBHSA-N 0 0 459.639 4.910 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc(F)cc3I)CCC2)cc1OC ZINC001457315533 1066808198 /nfs/dbraw/zinc/80/81/98/1066808198.db2.gz GCVXRDVUEVQPKV-UHFFFAOYSA-N 0 0 455.267 4.508 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001545995815 1066808610 /nfs/dbraw/zinc/80/86/10/1066808610.db2.gz YZWAQOXJDVFTIH-QFIPXVFZSA-N 0 0 451.659 4.899 20 0 JJADRN Cn1c(NC(=O)c2cccnc2SCc2cccc(Br)c2)nc2cccnc21 ZINC001447434442 1066808653 /nfs/dbraw/zinc/80/86/53/1066808653.db2.gz SRBGIYNKEQVTRZ-UHFFFAOYSA-N 0 0 454.353 4.670 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492674223 1066808659 /nfs/dbraw/zinc/80/86/59/1066808659.db2.gz NJENXTQRYOUBQS-OGNFBWPZSA-N 0 0 474.675 4.514 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC001447435907 1066809118 /nfs/dbraw/zinc/80/91/18/1066809118.db2.gz QMLLGXWDAMBMMK-HXUWFJFHSA-N 0 0 456.652 4.982 20 0 JJADRN C[C@]1(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC001447437572 1066809305 /nfs/dbraw/zinc/80/93/05/1066809305.db2.gz PUCVRZCXCOGCPF-NZQKXSOJSA-N 0 0 457.368 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](c4ccccc4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492674770 1066809652 /nfs/dbraw/zinc/80/96/52/1066809652.db2.gz WZOFUCCFKGBLHW-YLJYHZDGSA-N 0 0 482.654 4.541 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001447440476 1066809750 /nfs/dbraw/zinc/80/97/50/1066809750.db2.gz ABGGUFMEWYBNOZ-UHFFFAOYSA-N 0 0 456.587 4.671 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3)n2CCNc2ncc(Cl)cc2Cl)CCO1 ZINC001546089883 1066809915 /nfs/dbraw/zinc/80/99/15/1066809915.db2.gz YFZCARUPZCJFRZ-JOCHJYFZSA-N 0 0 461.397 4.764 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001447447800 1066810276 /nfs/dbraw/zinc/81/02/76/1066810276.db2.gz RGKDSQNXTATMNR-FGSXEWAUSA-N 0 0 454.567 4.879 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2Cc2cccc(C(F)(F)F)c2)cs1 ZINC001492675095 1066810347 /nfs/dbraw/zinc/81/03/47/1066810347.db2.gz MPTHYPMLDRONFK-UHFFFAOYSA-N 0 0 479.572 4.690 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492675186 1066810373 /nfs/dbraw/zinc/81/03/73/1066810373.db2.gz PLCMWBKDDAQFAZ-CQSZACIVSA-N 0 0 467.973 4.990 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCC(C)C)cs1 ZINC001492675172 1066810411 /nfs/dbraw/zinc/81/04/11/1066810411.db2.gz PBICHLDTQYSNFY-IBGZPJMESA-N 0 0 462.664 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)n2CCOC(C)(C)C)cs1 ZINC001492675414 1066810833 /nfs/dbraw/zinc/81/08/33/1066810833.db2.gz XPFRKSHLRFUYSF-UHFFFAOYSA-N 0 0 497.591 4.506 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1)c1ccc2c(c1)CCCC2 ZINC001447451178 1066810981 /nfs/dbraw/zinc/81/09/81/1066810981.db2.gz PIUCKPLGDKJYEJ-LWZKNFMGSA-N 0 0 456.627 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2ccc([C@@H](C)O)cc2)cs1 ZINC001492675975 1066811387 /nfs/dbraw/zinc/81/13/87/1066811387.db2.gz QIGMPOADBOMARB-LJQANCHMSA-N 0 0 483.682 4.767 20 0 JJADRN COC(=O)COc1ccc([C@@H](C)NC(=O)CCSc2ccnc3cc(Cl)ccc32)cc1 ZINC001447456578 1066811453 /nfs/dbraw/zinc/81/14/53/1066811453.db2.gz SFXOVVOQWUMSGB-OAHLLOKOSA-N 0 0 458.967 4.800 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1nc2ccc(F)cc2n1C)NC(=O)OC(C)(C)C ZINC001447458165 1066811503 /nfs/dbraw/zinc/81/15/03/1066811503.db2.gz XAECBIKPTJESLC-SFHVURJKSA-N 0 0 456.518 4.706 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001447457871 1066811612 /nfs/dbraw/zinc/81/16/12/1066811612.db2.gz DORORWZVIARRLX-SCLBCKFNSA-N 0 0 455.368 4.556 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001457333054 1066811775 /nfs/dbraw/zinc/81/17/75/1066811775.db2.gz AOXRWNXQXSZFDN-PBHICJAKSA-N 0 0 456.391 4.570 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2Cc2ccccc2OC(F)F)cs1 ZINC001492676147 1066812022 /nfs/dbraw/zinc/81/20/22/1066812022.db2.gz WHUMDCLXHPAZIJ-IBGZPJMESA-N 0 0 477.581 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@](C)(O)c2ccsc2)cs1 ZINC001492676153 1066812093 /nfs/dbraw/zinc/81/20/93/1066812093.db2.gz WPIUFVJRSBUSAC-DEOSSOPVSA-N 0 0 489.711 4.635 20 0 JJADRN O=C(c1cc(Br)sc1Br)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001447479425 1066813375 /nfs/dbraw/zinc/81/33/75/1066813375.db2.gz REONQLQJTZOFBN-ZDUSSCGKSA-N 0 0 459.203 4.747 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](C)C(C)(C)C3)c2)cc1 ZINC001447480809 1066813417 /nfs/dbraw/zinc/81/34/17/1066813417.db2.gz PZKFCLUSPPJCLD-IBGZPJMESA-N 0 0 458.624 4.727 20 0 JJADRN CCCC[C@@H](CCC)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001457352224 1066814557 /nfs/dbraw/zinc/81/45/57/1066814557.db2.gz USRQKGAVVZOWNT-OAQYLSRUSA-N 0 0 458.624 4.925 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC001447486976 1066814600 /nfs/dbraw/zinc/81/46/00/1066814600.db2.gz NVCQTDURZGYKNU-UHFFFAOYSA-N 0 0 454.317 4.938 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)Oc1ccccc1C(F)(F)F ZINC001457349361 1066814689 /nfs/dbraw/zinc/81/46/89/1066814689.db2.gz XYKPXMSLQSJRSH-PKOBYXMFSA-N 0 0 456.892 4.900 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[C@@H]2CCO[C@@H](C)C2)cs1 ZINC001492676821 1066814884 /nfs/dbraw/zinc/81/48/84/1066814884.db2.gz PBQSXGAMSNZZPQ-UAGQMJEPSA-N 0 0 457.566 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CCc2ccc(N(C)C)cc2)cs1 ZINC001492676918 1066814896 /nfs/dbraw/zinc/81/48/96/1066814896.db2.gz RINCQCDEJUISLY-NRFANRHFSA-N 0 0 452.672 4.815 20 0 JJADRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001457356353 1066815342 /nfs/dbraw/zinc/81/53/42/1066815342.db2.gz FWMZVCAZNBWJKM-IDHHARJASA-N 0 0 453.396 4.771 20 0 JJADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001457356359 1066815433 /nfs/dbraw/zinc/81/54/33/1066815433.db2.gz FWMZVCAZNBWJKM-OGWOLHLISA-N 0 0 453.396 4.771 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cccc(Br)c3F)C[C@@H]1CCCC2 ZINC001457355480 1066815486 /nfs/dbraw/zinc/81/54/86/1066815486.db2.gz BOCDCOKSWGHDNW-QKKBWIMNSA-N 0 0 455.368 4.745 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cccc(Br)c3F)C[C@@H]1CCCC2 ZINC001457355479 1066815496 /nfs/dbraw/zinc/81/54/96/1066815496.db2.gz BOCDCOKSWGHDNW-LHSJRXKWSA-N 0 0 455.368 4.745 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CCc2ccccc2F)cs1 ZINC001492677124 1066815419 /nfs/dbraw/zinc/81/54/19/1066815419.db2.gz WGSQVENKSHEDLY-UHFFFAOYSA-N 0 0 462.392 4.505 20 0 JJADRN CC[C@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001447498674 1066815459 /nfs/dbraw/zinc/81/54/59/1066815459.db2.gz MACCZYOHGMNCJO-HOFKKMOUSA-N 0 0 451.611 4.550 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2Cc2ccc(I)cc2)cs1 ZINC001492677407 1066815846 /nfs/dbraw/zinc/81/58/46/1066815846.db2.gz FNGLPUFRFNUKBA-UHFFFAOYSA-N 0 0 493.418 4.667 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001457359225 1066815863 /nfs/dbraw/zinc/81/58/63/1066815863.db2.gz HUMQTZSAZYASAS-GGUMNFRJSA-N 0 0 451.007 4.959 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001457359232 1066815933 /nfs/dbraw/zinc/81/59/33/1066815933.db2.gz HUMQTZSAZYASAS-YTZAWJCFSA-N 0 0 451.007 4.959 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001457359229 1066815945 /nfs/dbraw/zinc/81/59/45/1066815945.db2.gz HUMQTZSAZYASAS-QZTZHPFYSA-N 0 0 451.007 4.959 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457360143 1066815953 /nfs/dbraw/zinc/81/59/53/1066815953.db2.gz RSAVCRKYLYEPHQ-LJQANCHMSA-N 0 0 450.739 4.777 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC001457361429 1066816556 /nfs/dbraw/zinc/81/65/56/1066816556.db2.gz NNWKYRUIAOFLNX-NRFANRHFSA-N 0 0 459.464 4.859 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457361640 1066816680 /nfs/dbraw/zinc/81/66/80/1066816680.db2.gz KGXKEZKFIHZSFM-MHECFPHRSA-N 0 0 451.007 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677515 1066816718 /nfs/dbraw/zinc/81/67/18/1066816718.db2.gz ITEXZVDJDBMVQG-HXUWFJFHSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)cs1 ZINC001492677757 1066816746 /nfs/dbraw/zinc/81/67/46/1066816746.db2.gz MFUAAFXUNDYKNB-AWEZNQCLSA-N 0 0 465.549 4.539 20 0 JJADRN O=C(NCCC1=CCCCCC1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001447506102 1066816778 /nfs/dbraw/zinc/81/67/78/1066816778.db2.gz IYKRPSKSPXUFBP-HXUWFJFHSA-N 0 0 451.380 4.980 20 0 JJADRN O=C(NCc1cc(Cl)cc2c1OCC2)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001447508704 1066816879 /nfs/dbraw/zinc/81/68/79/1066816879.db2.gz OGBKOCBESKMUIG-XMMPIXPASA-N 0 0 452.957 4.932 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001447510512 1066816884 /nfs/dbraw/zinc/81/68/84/1066816884.db2.gz MYZFEWVFIBSKGQ-QFBILLFUSA-N 0 0 455.382 4.539 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NC3CC4(CC(NC(=O)OC(C)(C)C)C4)C3)c2)n1 ZINC001457362774 1066817055 /nfs/dbraw/zinc/81/70/55/1066817055.db2.gz GVHSQXJCNNKROA-UHFFFAOYSA-N 0 0 456.612 4.629 20 0 JJADRN Cn1cc(Br)cc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)c1=O ZINC001457363900 1066817156 /nfs/dbraw/zinc/81/71/56/1066817156.db2.gz YGLZNFNQMKYRDH-UHFFFAOYSA-N 0 0 454.299 4.542 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCC(C)(C)C2CC2)cs1 ZINC001492678031 1066817634 /nfs/dbraw/zinc/81/76/34/1066817634.db2.gz QVQFVHDUXATIBU-UHFFFAOYSA-N 0 0 488.702 4.765 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCCOC(F)(F)F)cs1 ZINC001492678256 1066817738 /nfs/dbraw/zinc/81/77/38/1066817738.db2.gz VFUFWGDIJQVIPD-SFHVURJKSA-N 0 0 467.517 4.607 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@@H]1CCCC2 ZINC001457364743 1066817688 /nfs/dbraw/zinc/81/76/88/1066817688.db2.gz PBQMHQRXIBQHOU-RPPIVITFSA-N 0 0 452.636 4.534 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@H]1CCCC2 ZINC001457364747 1066817770 /nfs/dbraw/zinc/81/77/70/1066817770.db2.gz PBQMHQRXIBQHOU-UZEJHQAJSA-N 0 0 452.636 4.534 20 0 JJADRN C/C=C/C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC ZINC001447521246 1066817904 /nfs/dbraw/zinc/81/79/04/1066817904.db2.gz LHZWCECOLKFFIN-FHVRUZERSA-N 0 0 454.596 4.985 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 ZINC001447521937 1066818011 /nfs/dbraw/zinc/81/80/11/1066818011.db2.gz CEFZJRHGVIJPHZ-CQSZACIVSA-N 0 0 456.033 4.699 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2NCC2CCCCC2)ccc1Cl ZINC001447526336 1066818426 /nfs/dbraw/zinc/81/84/26/1066818426.db2.gz YLSOSYIYLGUDAS-UHFFFAOYSA-N 0 0 450.004 4.835 20 0 JJADRN CN(CC(=O)Nc1cc(Cl)ccc1NCC1CCCCC1)S(=O)(=O)c1ccccc1 ZINC001447526364 1066818433 /nfs/dbraw/zinc/81/84/33/1066818433.db2.gz YUEPIUHFAAVCFU-UHFFFAOYSA-N 0 0 450.004 4.591 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC001447522219 1066818446 /nfs/dbraw/zinc/81/84/46/1066818446.db2.gz GBQGLKKSWRYBRK-CQSZACIVSA-N 0 0 453.205 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001447522268 1066818502 /nfs/dbraw/zinc/81/85/02/1066818502.db2.gz IBRKZGFHLVDZQU-FZKCQIBNSA-N 0 0 464.431 4.511 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC001447522217 1066818507 /nfs/dbraw/zinc/81/85/07/1066818507.db2.gz GBQGLKKSWRYBRK-AWEZNQCLSA-N 0 0 453.205 4.975 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492678469 1066818682 /nfs/dbraw/zinc/81/86/82/1066818682.db2.gz YCOVUTPNVIPJQW-SFHVURJKSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1cc(NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)cnc1NCc1ccc(Cl)cc1 ZINC001457373313 1066818795 /nfs/dbraw/zinc/81/87/95/1066818795.db2.gz JWMNMMHLWKXAGB-UHFFFAOYSA-N 0 0 459.937 4.970 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)c1cc(F)ccc1N(C)C ZINC001457376741 1066818848 /nfs/dbraw/zinc/81/88/48/1066818848.db2.gz ZDVQWBRNSNXJOA-ZDUSSCGKSA-N 0 0 451.336 4.503 20 0 JJADRN Cc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)cnc1NCc1ccc(Cl)cc1 ZINC001457375341 1066818885 /nfs/dbraw/zinc/81/88/85/1066818885.db2.gz NHNJSCHKEIUYNL-UHFFFAOYSA-N 0 0 450.926 4.982 20 0 JJADRN C[C@H](CCNC(=O)c1csc(I)n1)c1cccc(C(F)(F)F)c1 ZINC001457380816 1066819505 /nfs/dbraw/zinc/81/95/05/1066819505.db2.gz FJCGDVQNLDWPHF-SECBINFHSA-N 0 0 454.255 4.690 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001457378777 1066819513 /nfs/dbraw/zinc/81/95/13/1066819513.db2.gz ADIAXUPBHUCQCS-INIZCTEOSA-N 0 0 459.409 4.684 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](Oc4ccccc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492678648 1066819515 /nfs/dbraw/zinc/81/95/15/1066819515.db2.gz LNCRMUNPGJAKFC-IBGZPJMESA-N 0 0 481.544 4.608 20 0 JJADRN CN(C)C(=O)CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC001447535819 1066819612 /nfs/dbraw/zinc/81/96/12/1066819612.db2.gz MQVRRPSEYGNYAV-UHFFFAOYSA-N 0 0 450.970 4.523 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCSCC(C)C)cs1 ZINC001492678982 1066819935 /nfs/dbraw/zinc/81/99/35/1066819935.db2.gz RNMYTBQCSDGEFE-IBGZPJMESA-N 0 0 492.759 4.544 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c1 ZINC001457386771 1066820031 /nfs/dbraw/zinc/82/00/31/1066820031.db2.gz MJQHDKQJIIXLJE-LBPRGKRZSA-N 0 0 459.370 4.579 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C/C=C/c2ccccc2)cs1 ZINC001492678966 1066819964 /nfs/dbraw/zinc/81/99/64/1066819964.db2.gz RBUYQEOFXUTFJC-HSRJRILOSA-N 0 0 494.665 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H](C)c2ccccc2)cs1 ZINC001492678954 1066820075 /nfs/dbraw/zinc/82/00/75/1066820075.db2.gz QZHSMXNPBOWEJF-OXJNMPFZSA-N 0 0 479.572 4.985 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457386459 1066820156 /nfs/dbraw/zinc/82/01/56/1066820156.db2.gz STLIYAYOMQQMGU-ACRUOGEOSA-N 0 0 450.620 4.527 20 0 JJADRN COC(=O)[C@@H]1CCCCCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001447540978 1066820232 /nfs/dbraw/zinc/82/02/32/1066820232.db2.gz UZMCQAWRXQVPQX-QFIPXVFZSA-N 0 0 454.954 4.932 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC[C@@H]1c1ccccc1 ZINC001457394491 1066821282 /nfs/dbraw/zinc/82/12/82/1066821282.db2.gz HZEFOONCVQCTFC-CBQOVEMMSA-N 0 0 456.533 4.935 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC[C@H]1c1ccccc1 ZINC001457394526 1066821290 /nfs/dbraw/zinc/82/12/90/1066821290.db2.gz HZEFOONCVQCTFC-SYYKKAFVSA-N 0 0 456.533 4.935 20 0 JJADRN C[C@@H](CNC(=O)CSc1ccccc1Br)Oc1ccccc1Br ZINC001457392189 1066821360 /nfs/dbraw/zinc/82/13/60/1066821360.db2.gz AQXQSZPUHDLXFB-LBPRGKRZSA-N 0 0 459.203 4.887 20 0 JJADRN Cc1c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001447557433 1066821437 /nfs/dbraw/zinc/82/14/37/1066821437.db2.gz GIZNUCPDYCJKEG-UHFFFAOYSA-N 0 0 459.384 4.924 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)NC[C@H](C)Oc1ccccc1Br ZINC001457393484 1066821406 /nfs/dbraw/zinc/82/14/06/1066821406.db2.gz HXMVDOUMWSBKSD-LBPRGKRZSA-N 0 0 457.162 4.726 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)NC[C@@H](C)Oc2ccccc2Br)s1 ZINC001457393545 1066821427 /nfs/dbraw/zinc/82/14/27/1066821427.db2.gz IOUPYNYQTODFEL-SNVBAGLBSA-N 0 0 450.358 4.683 20 0 JJADRN C[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)Oc1ccccc1Br ZINC001457396328 1066821846 /nfs/dbraw/zinc/82/18/46/1066821846.db2.gz VSAWYQSJXRNTKG-CQSZACIVSA-N 0 0 459.365 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2CC(F)(F)Br)cs1 ZINC001492680079 1066822555 /nfs/dbraw/zinc/82/25/55/1066822555.db2.gz ZQSUYBBBLZQAMK-QGZVFWFLSA-N 0 0 498.397 4.590 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@](C)(CCc4ccccc4)C3)cc2)CC1 ZINC001457402709 1066822960 /nfs/dbraw/zinc/82/29/60/1066822960.db2.gz WHLUNUKMVDKCMY-AREMUKBSSA-N 0 0 454.636 4.592 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2CC[C@H](C)C2)cs1 ZINC001492680778 1066823006 /nfs/dbraw/zinc/82/30/06/1066823006.db2.gz ZIXDUPFTHOWEDD-SCTDSRPQSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@H]2CC[C@H](C)C2)cs1 ZINC001492680779 1066823045 /nfs/dbraw/zinc/82/30/45/1066823045.db2.gz ZIXDUPFTHOWEDD-YQVWRLOYSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2CCC(F)(F)CC2)cs1 ZINC001492680544 1066823147 /nfs/dbraw/zinc/82/31/47/1066823147.db2.gz QWRYSNHTPDEJHD-CQSZACIVSA-N 0 0 492.562 4.532 20 0 JJADRN Cc1ccc(C(=O)NN2Cc3ccccc3C2=O)cc1OCc1csc(Br)c1 ZINC001447568256 1066823337 /nfs/dbraw/zinc/82/33/37/1066823337.db2.gz LWUCWIPVFQVNIK-UHFFFAOYSA-N 0 0 457.349 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)cs1 ZINC001492681686 1066823689 /nfs/dbraw/zinc/82/36/89/1066823689.db2.gz DHQKEOMVHBPJQK-SANMLTNESA-N 0 0 483.682 4.551 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001447569289 1066823737 /nfs/dbraw/zinc/82/37/37/1066823737.db2.gz HTTSEVVPYQWIBU-HXUWFJFHSA-N 0 0 456.587 4.523 20 0 JJADRN Cn1nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)c2c1CCCC2 ZINC001447574769 1066824186 /nfs/dbraw/zinc/82/41/86/1066824186.db2.gz IKEPPJRWUOUJOY-JOCHJYFZSA-N 0 0 457.496 4.694 20 0 JJADRN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447574754 1066824219 /nfs/dbraw/zinc/82/42/19/1066824219.db2.gz IJLWYBZSAHOKFF-MWTRTKDXSA-N 0 0 459.512 4.986 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001447576858 1066824310 /nfs/dbraw/zinc/82/43/10/1066824310.db2.gz RVWSTBGFPVXQDU-NZSAHSFTSA-N 0 0 456.505 4.937 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC001457410107 1066824780 /nfs/dbraw/zinc/82/47/80/1066824780.db2.gz VEZMOKXTZKUZCX-UHFFFAOYSA-N 0 0 457.384 4.769 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545997919 1066824916 /nfs/dbraw/zinc/82/49/16/1066824916.db2.gz YQQFOGJWLNRWLD-RPWUZVMVSA-N 0 0 497.684 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCO[C@@H](C)c2ccccc2)cs1 ZINC001492682882 1066825366 /nfs/dbraw/zinc/82/53/66/1066825366.db2.gz JPPVBVNQMVCFES-RBUKOAKNSA-N 0 0 469.655 4.805 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)Oc1cccc(F)c1 ZINC001545997974 1066826099 /nfs/dbraw/zinc/82/60/99/1066826099.db2.gz ZNCUEDHHLQHSAT-QFIPXVFZSA-N 0 0 495.647 4.713 20 0 JJADRN O=C(c1c(Cl)cc(F)cc1Br)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001447584206 1066826196 /nfs/dbraw/zinc/82/61/96/1066826196.db2.gz CSNZVPXONUQGRN-SNVBAGLBSA-N 0 0 454.649 4.934 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)Oc1cccc(F)c1 ZINC001545997973 1066826212 /nfs/dbraw/zinc/82/62/12/1066826212.db2.gz ZNCUEDHHLQHSAT-JOCHJYFZSA-N 0 0 495.647 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492683609 1066826557 /nfs/dbraw/zinc/82/65/57/1066826557.db2.gz CXILAAMEFPMFRT-NSHDSACASA-N 0 0 459.588 4.704 20 0 JJADRN COc1ccc(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)c(OC2CCCC2)c1 ZINC001457416487 1066826762 /nfs/dbraw/zinc/82/67/62/1066826762.db2.gz NRSIPZGAMBPQAH-OAQYLSRUSA-N 0 0 457.876 4.850 20 0 JJADRN O=C([C@H](O)CCc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447592073 1066826776 /nfs/dbraw/zinc/82/67/76/1066826776.db2.gz ZSVCGMSMQVBUCM-DNQXCXABSA-N 0 0 457.492 4.761 20 0 JJADRN O=C(COc1ccccc1Cc1ccccc1)N[C@@H](CCO)c1ccccc1Br ZINC001447590911 1066826791 /nfs/dbraw/zinc/82/67/91/1066826791.db2.gz YCGZMXWDEOBMOA-QFIPXVFZSA-N 0 0 454.364 4.659 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492683791 1066827142 /nfs/dbraw/zinc/82/71/42/1066827142.db2.gz IOAQTHCXYANIJZ-HXUWFJFHSA-N 0 0 491.130 4.922 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2Cc2ccc(OCC(F)(F)F)cc2)cs1 ZINC001492684101 1066827982 /nfs/dbraw/zinc/82/79/82/1066827982.db2.gz RIAHDIBSPDXXAT-AWEZNQCLSA-N 0 0 483.585 4.565 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2nc(C)c(C)s2)cs1 ZINC001492684385 1066828479 /nfs/dbraw/zinc/82/84/79/1066828479.db2.gz XYEVYNGFRKIFGC-SFHVURJKSA-N 0 0 462.714 4.528 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC001447614043 1066828519 /nfs/dbraw/zinc/82/85/19/1066828519.db2.gz WLFBQSHLIDOHER-JOCHJYFZSA-N 0 0 459.594 4.918 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545997377 1066828536 /nfs/dbraw/zinc/82/85/36/1066828536.db2.gz NNELMYSQYNFBNB-RTWAWAEBSA-N 0 0 489.636 4.563 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c(Cl)c2)n1 ZINC001447614475 1066828688 /nfs/dbraw/zinc/82/86/88/1066828688.db2.gz GBMWPZWLOMUGIY-SFHVURJKSA-N 0 0 452.942 4.752 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3Cl)N(C)C)C2)no1 ZINC001492685158 1066829096 /nfs/dbraw/zinc/82/90/96/1066829096.db2.gz QJMCYUCTZFOOSF-KNQAVFIVSA-N 0 0 486.064 4.583 20 0 JJADRN Cc1cc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)ccc1-n1nnnc1C(C)C ZINC001447617240 1066829122 /nfs/dbraw/zinc/82/91/22/1066829122.db2.gz GPDAPIODQJNXJE-UHFFFAOYSA-N 0 0 456.428 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC001447616517 1066829185 /nfs/dbraw/zinc/82/91/85/1066829185.db2.gz ZUFDUWRKQNZDQW-WOJBJXKFSA-N 0 0 454.571 4.874 20 0 JJADRN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997446 1066829270 /nfs/dbraw/zinc/82/92/70/1066829270.db2.gz OSQJFNFXADEPKO-SJORKVTESA-N 0 0 463.573 4.687 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(C)(C)C ZINC001457425734 1066829679 /nfs/dbraw/zinc/82/96/79/1066829679.db2.gz LXUYVWJRRZKDAW-OAQYLSRUSA-N 0 0 455.603 4.676 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3F)C2)no1 ZINC001492685377 1066829686 /nfs/dbraw/zinc/82/96/86/1066829686.db2.gz ULHUWGORLBGAQW-IEBWSBKVSA-N 0 0 470.593 4.624 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3Cl)N(C)C)C2)no1 ZINC001492685159 1066829746 /nfs/dbraw/zinc/82/97/46/1066829746.db2.gz QJMCYUCTZFOOSF-SIKLNZKXSA-N 0 0 486.064 4.583 20 0 JJADRN O=C(c1cc(Cl)ccc1F)N1CCC(Oc2ccccc2I)CC1 ZINC001457425623 1066829852 /nfs/dbraw/zinc/82/98/52/1066829852.db2.gz YZMVTHNTXBUJMY-UHFFFAOYSA-N 0 0 459.686 4.767 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001457427406 1066829890 /nfs/dbraw/zinc/82/98/90/1066829890.db2.gz IILVNEDHYUDKRM-FQEVSTJZSA-N 0 0 458.599 4.792 20 0 JJADRN Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)c2nccs2)cs1 ZINC001492685372 1066829846 /nfs/dbraw/zinc/82/98/46/1066829846.db2.gz UKOWWQOJMTWMHS-KRWDZBQOSA-N 0 0 495.678 4.851 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2cc(COC(C)(C)C)on2)cs1 ZINC001492686033 1066830785 /nfs/dbraw/zinc/83/07/85/1066830785.db2.gz QZNNTAMPSMHDHR-GASCZTMLSA-N 0 0 494.612 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492686186 1066830852 /nfs/dbraw/zinc/83/08/52/1066830852.db2.gz VKWUGPVSHKHBAO-IYBDPMFKSA-N 0 0 476.597 4.592 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)no1 ZINC001492686048 1066830959 /nfs/dbraw/zinc/83/09/59/1066830959.db2.gz RJBXIFGENQFESG-OAHLLOKOSA-N 0 0 477.382 4.653 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC3(C(=O)NCC(C)C)CCCC3)cc12 ZINC001457432531 1066831364 /nfs/dbraw/zinc/83/13/64/1066831364.db2.gz WRWAIOMJDXHVMA-UHFFFAOYSA-N 0 0 459.015 4.864 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)NCc3csc(CNC(=O)c4ccccc4)n3)c2n1 ZINC001457431420 1066831446 /nfs/dbraw/zinc/83/14/46/1066831446.db2.gz ARZDQALRXQCUDJ-UHFFFAOYSA-N 0 0 450.951 4.513 20 0 JJADRN C/C(=C\C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001457432747 1066831481 /nfs/dbraw/zinc/83/14/81/1066831481.db2.gz ZPVJORJMEWEYHU-RVDMUPIBSA-N 0 0 459.493 4.812 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCN([C@H](C)c3ccc(F)cc3F)CC2)cs1 ZINC001492686466 1066831428 /nfs/dbraw/zinc/83/14/28/1066831428.db2.gz BNKRWXUNNCZXIB-MRXNPFEDSA-N 0 0 460.598 4.571 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@@H]2C)cs1 ZINC001492686436 1066831473 /nfs/dbraw/zinc/83/14/73/1066831473.db2.gz BBRBGLWKGCPVMN-CVEARBPZSA-N 0 0 459.591 4.569 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](COC(C)C)C2)cs1 ZINC001492686915 1066831561 /nfs/dbraw/zinc/83/15/61/1066831561.db2.gz OONMRQXBVIWVAF-NZQKXSOJSA-N 0 0 499.681 4.673 20 0 JJADRN COc1ccc(CCC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c(OC)c1OC ZINC001457437040 1066831964 /nfs/dbraw/zinc/83/19/64/1066831964.db2.gz OBGPNLICNXMFPY-UHFFFAOYSA-N 0 0 456.926 4.911 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001447630498 1066831884 /nfs/dbraw/zinc/83/18/84/1066831884.db2.gz DQRCQIRLHSKXLB-OAQYLSRUSA-N 0 0 459.420 4.904 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC001492686971 1066832002 /nfs/dbraw/zinc/83/20/02/1066832002.db2.gz PYVBZPTXAKVXCQ-RKVPGOIHSA-N 0 0 472.037 4.840 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccc(I)cc1O ZINC001447629844 1066831916 /nfs/dbraw/zinc/83/19/16/1066831916.db2.gz YPHAUMLINRNXIL-UHFFFAOYSA-N 0 0 452.075 4.711 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC001492686972 1066832095 /nfs/dbraw/zinc/83/20/95/1066832095.db2.gz PYVBZPTXAKVXCQ-RVKKMQEKSA-N 0 0 472.037 4.840 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cc(Br)cc(OC(C)C)c2)c1-c1ccc2c(c1)OCO2 ZINC001457444975 1066832493 /nfs/dbraw/zinc/83/24/93/1066832493.db2.gz LPAIWKUQFHTCDR-UHFFFAOYSA-N 0 0 458.312 4.916 20 0 JJADRN Cc1[nH]nc(NC(=O)c2nnn(-c3ccccc3Br)c2C)c1-c1cccc(C)c1 ZINC001457440904 1066832574 /nfs/dbraw/zinc/83/25/74/1066832574.db2.gz DJKNPZRELGAMEY-UHFFFAOYSA-N 0 0 451.328 4.597 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(C)n1C[C@H]1CCCOC1 ZINC001447632600 1066832510 /nfs/dbraw/zinc/83/25/10/1066832510.db2.gz MJRVQLQCNOUSQD-XMSQKQJNSA-N 0 0 450.501 4.764 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC001447632940 1066832527 /nfs/dbraw/zinc/83/25/27/1066832527.db2.gz KAMJJLKVPHFRLS-UHFFFAOYSA-N 0 0 459.587 4.598 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc2c(c1)C[C@H](OC)C2)NC(=O)OC(C)(C)C ZINC001447632467 1066832587 /nfs/dbraw/zinc/83/25/87/1066832587.db2.gz XARUPICLDKSLMP-IRLDBZIGSA-N 0 0 454.567 4.794 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492687288 1066832645 /nfs/dbraw/zinc/83/26/45/1066832645.db2.gz DVOVQTPHYZEHGS-LBPRGKRZSA-N 0 0 489.365 4.822 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(C)n1C[C@@H]1CCCOC1 ZINC001447632590 1066832742 /nfs/dbraw/zinc/83/27/42/1066832742.db2.gz MJRVQLQCNOUSQD-PGRDOPGGSA-N 0 0 450.501 4.764 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492687287 1066832725 /nfs/dbraw/zinc/83/27/25/1066832725.db2.gz DVOVQTPHYZEHGS-GFCCVEGCSA-N 0 0 489.365 4.822 20 0 JJADRN Cc1[nH]nc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1-c1cccc(Cl)c1 ZINC001457445157 1066832900 /nfs/dbraw/zinc/83/29/00/1066832900.db2.gz ZPLZUZXHUZIIKD-UHFFFAOYSA-N 0 0 450.970 4.848 20 0 JJADRN Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)c(Br)c1 ZINC001457447955 1066832905 /nfs/dbraw/zinc/83/29/05/1066832905.db2.gz TYJLHOSRRZUNAX-UHFFFAOYSA-N 0 0 457.246 4.679 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)cs1 ZINC001492687645 1066832987 /nfs/dbraw/zinc/83/29/87/1066832987.db2.gz LTVMNJBCSWTMMR-UHFFFAOYSA-N 0 0 460.323 4.714 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(F)F)C2)n[nH]1 ZINC001492687527 1066833122 /nfs/dbraw/zinc/83/31/22/1066833122.db2.gz ZKYCDIOSIVCSEU-WBVHZDCISA-N 0 0 493.990 4.839 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC001447633339 1066833091 /nfs/dbraw/zinc/83/30/91/1066833091.db2.gz MSVWQLJKLPRFQY-SFHVURJKSA-N 0 0 454.445 4.537 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)c1 ZINC001457457456 1066834112 /nfs/dbraw/zinc/83/41/12/1066834112.db2.gz OFZSHMATXMUGLE-UHFFFAOYSA-N 0 0 456.495 4.763 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457455909 1066834114 /nfs/dbraw/zinc/83/41/14/1066834114.db2.gz AWGIVAVXLSGDNS-MHECFPHRSA-N 0 0 451.954 4.667 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cs1 ZINC001492688205 1066834218 /nfs/dbraw/zinc/83/42/18/1066834218.db2.gz HEZGEBKPGYAOBL-IAQYHMDHSA-N 0 0 456.925 4.636 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cs1 ZINC001492688278 1066834317 /nfs/dbraw/zinc/83/43/17/1066834317.db2.gz JKZPCEMYDARWPE-SFHVURJKSA-N 0 0 451.518 4.500 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](C)CC2)n[nH]1 ZINC001492688208 1066834411 /nfs/dbraw/zinc/83/44/11/1066834411.db2.gz HJABIORBIVILSQ-IBGZPJMESA-N 0 0 451.619 4.666 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3F)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001492689015 1066835009 /nfs/dbraw/zinc/83/50/09/1066835009.db2.gz WXRHRCJAMPQSCM-GOSISDBHSA-N 0 0 486.617 4.537 20 0 JJADRN Cc1nc(CCn2c(-c3cccnc3)nnc2N(C)CCOc2cccc(Cl)c2)cs1 ZINC001492688691 1066835101 /nfs/dbraw/zinc/83/51/01/1066835101.db2.gz PMLSNSAIXBTGMX-UHFFFAOYSA-N 0 0 454.987 4.516 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545999109 1066835050 /nfs/dbraw/zinc/83/50/50/1066835050.db2.gz ICYPHZPICHZDCS-TZIWHRDSSA-N 0 0 480.613 4.810 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3S[C@@H](C)C(N)=O)CC2)cc1 ZINC001457460266 1066835144 /nfs/dbraw/zinc/83/51/44/1066835144.db2.gz INQGXWGFXYVRAI-SFHVURJKSA-N 0 0 452.620 4.586 20 0 JJADRN CC[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)Oc1cccc(C(F)(F)F)c1 ZINC001457463006 1066835752 /nfs/dbraw/zinc/83/57/52/1066835752.db2.gz IHPHPRIMEPHCHD-UZLBHIALSA-N 0 0 458.427 4.525 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1csc(I)c1 ZINC001457460960 1066835830 /nfs/dbraw/zinc/83/58/30/1066835830.db2.gz BGVJXOCQGQIDQF-UHFFFAOYSA-N 0 0 454.264 4.718 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001457462560 1066835922 /nfs/dbraw/zinc/83/59/22/1066835922.db2.gz GTNMQRGUJFDMBC-CQSZACIVSA-N 0 0 459.450 4.939 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545999170 1066836138 /nfs/dbraw/zinc/83/61/38/1066836138.db2.gz JBLNOBLIUMMTHB-RTWAWAEBSA-N 0 0 471.646 4.663 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(OC(F)F)c2)cs1 ZINC001492690525 1066836238 /nfs/dbraw/zinc/83/62/38/1066836238.db2.gz RCTWUIYNFIPRQJ-UHFFFAOYSA-N 0 0 490.605 4.879 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)cs1 ZINC001492690535 1066836329 /nfs/dbraw/zinc/83/63/29/1066836329.db2.gz RFKJEVIIPAJYDD-UHFFFAOYSA-N 0 0 465.602 4.565 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCO[C@@H](COc4ccccc4)C3)c12 ZINC001447654357 1066836717 /nfs/dbraw/zinc/83/67/17/1066836717.db2.gz JXSCUEBZTOKIQX-HXUWFJFHSA-N 0 0 450.583 4.538 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)cs1 ZINC001492691351 1066836619 /nfs/dbraw/zinc/83/66/19/1066836619.db2.gz GIINBMRVZJLRMI-UHFFFAOYSA-N 0 0 469.655 4.875 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Br)ccc2C1 ZINC001447652917 1066836786 /nfs/dbraw/zinc/83/67/86/1066836786.db2.gz TUWZPMCKSYAJBO-QFIPXVFZSA-N 0 0 453.421 4.911 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001457466088 1066836850 /nfs/dbraw/zinc/83/68/50/1066836850.db2.gz MQJRVVVVPYBRBC-KRWDZBQOSA-N 0 0 457.656 4.571 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)cs1 ZINC001492691325 1066836954 /nfs/dbraw/zinc/83/69/54/1066836954.db2.gz FPBKWNZAAPJLIU-UHFFFAOYSA-N 0 0 457.669 4.813 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(Br)s2)CCO1 ZINC001546091396 1066837368 /nfs/dbraw/zinc/83/73/68/1066837368.db2.gz OSNGNCSBEFPGNG-NRFANRHFSA-N 0 0 476.444 4.721 20 0 JJADRN Cc1ccc(-n2ncc(NC(=O)c3oc4ccccc4c3CS(C)(=O)=O)c2C(C)C)cc1 ZINC001447656592 1066837414 /nfs/dbraw/zinc/83/74/14/1066837414.db2.gz XUPOLFDLBVZHBC-UHFFFAOYSA-N 0 0 451.548 4.847 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545999240 1066837424 /nfs/dbraw/zinc/83/74/24/1066837424.db2.gz KBFJQZPDCFMDGL-AZUAARDMSA-N 0 0 466.586 4.502 20 0 JJADRN C[S@](=O)c1ccc(CNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1 ZINC001457468264 1066837555 /nfs/dbraw/zinc/83/75/55/1066837555.db2.gz RTYXSERDDWVAAB-PIKZIKFNSA-N 0 0 458.377 4.623 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cs1 ZINC001492692312 1066837642 /nfs/dbraw/zinc/83/76/42/1066837642.db2.gz WSBPIDXQERJJNK-JOCHJYFZSA-N 0 0 469.655 4.733 20 0 JJADRN COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccccc1 ZINC001457470707 1066837912 /nfs/dbraw/zinc/83/79/12/1066837912.db2.gz LQMXAEVCDYOGJS-BFUOFWGJSA-N 0 0 459.365 4.853 20 0 JJADRN O=C(CNC(=O)OCC(F)(F)F)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 ZINC001447659208 1066837987 /nfs/dbraw/zinc/83/79/87/1066837987.db2.gz DBZYZBWMQJAWKR-UHFFFAOYSA-N 0 0 455.864 4.520 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)CC2)cs1 ZINC001492692828 1066838055 /nfs/dbraw/zinc/83/80/55/1066838055.db2.gz HTNHNKCCQWASPF-UHFFFAOYSA-N 0 0 465.454 4.995 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447660124 1066838385 /nfs/dbraw/zinc/83/83/85/1066838385.db2.gz KDUJGKRXIHPFMI-DUXKGJEZSA-N 0 0 457.533 4.873 20 0 JJADRN O=C(NC[C@H](CO)Cc1cccc(Br)c1)C1(Cc2cccs2)CCCCC1 ZINC001447660093 1066838418 /nfs/dbraw/zinc/83/84/18/1066838418.db2.gz VOJMTJHWNZUUQY-GOSISDBHSA-N 0 0 450.442 4.971 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447660143 1066838426 /nfs/dbraw/zinc/83/84/26/1066838426.db2.gz KDUJGKRXIHPFMI-UIFIKXQLSA-N 0 0 457.533 4.873 20 0 JJADRN O=C(CSCc1cccc(Cl)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447662310 1066838513 /nfs/dbraw/zinc/83/85/13/1066838513.db2.gz SJQIZZCWDMOSIO-UHFFFAOYSA-N 0 0 459.917 4.982 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3CC(C)(C)c3ccc(F)cc3)CC2)cs1 ZINC001492692857 1066838619 /nfs/dbraw/zinc/83/86/19/1066838619.db2.gz JCRLEJSGYUPGRT-UHFFFAOYSA-N 0 0 456.635 4.606 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCCC(F)(F)C3)CC2)cs1 ZINC001492693432 1066838836 /nfs/dbraw/zinc/83/88/36/1066838836.db2.gz DYJMEMOSDDAPAB-IBGZPJMESA-N 0 0 466.646 4.779 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4ccccc4C)n3CCCC(F)(F)F)CC2)cs1 ZINC001492693690 1066838863 /nfs/dbraw/zinc/83/88/63/1066838863.db2.gz NILAOJKOZBFVGS-UHFFFAOYSA-N 0 0 464.561 4.683 20 0 JJADRN O=C(CSc1ccc2c(c1)CCC2)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447663018 1066839121 /nfs/dbraw/zinc/83/91/21/1066839121.db2.gz UDGRASAXRZHUIR-UHFFFAOYSA-N 0 0 451.510 4.676 20 0 JJADRN O=C(c1ccnc(Oc2ccccc2)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447663326 1066839158 /nfs/dbraw/zinc/83/91/58/1066839158.db2.gz VYEFSVIUVDDSLA-UHFFFAOYSA-N 0 0 458.436 4.896 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(c2nnc(CC(C)(C)C)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001492694063 1066839345 /nfs/dbraw/zinc/83/93/45/1066839345.db2.gz CLAXMYCCIMXWRU-UMSFTDKQSA-N 0 0 484.714 4.914 20 0 JJADRN Cc1noc([C@@H](OC(=O)c2cc(Br)sc2Br)c2ccccc2)n1 ZINC001457476829 1066839506 /nfs/dbraw/zinc/83/95/06/1066839506.db2.gz JUKZEIQUQUCSST-LBPRGKRZSA-N 0 0 458.131 4.911 20 0 JJADRN COc1cccc([C@H](NC(=O)CCCc2nc(C(C)(C)C)no2)c2cc(F)ccc2OC)c1 ZINC001457475416 1066839608 /nfs/dbraw/zinc/83/96/08/1066839608.db2.gz MLXHEQXWRHYNRN-QHCPKHFHSA-N 0 0 455.530 4.752 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492694403 1066840051 /nfs/dbraw/zinc/84/00/51/1066840051.db2.gz LKYRSHGLOAODSA-LAUBAEHRSA-N 0 0 497.669 4.626 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(N2CCC(OCCC(C)C)CC2)nnc1C(C)(C)C ZINC001492694898 1066840409 /nfs/dbraw/zinc/84/04/09/1066840409.db2.gz VNKGUGIYQIRFKO-UHFFFAOYSA-N 0 0 452.647 4.965 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)cs1 ZINC001492694926 1066840532 /nfs/dbraw/zinc/84/05/32/1066840532.db2.gz MTPJPWATAFZFSB-GHTZIAJQSA-N 0 0 482.654 4.666 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc(C)ccc3SC3CCCC3)C2=O)c1 ZINC001457482635 1066840586 /nfs/dbraw/zinc/84/05/86/1066840586.db2.gz XKJYYMURVYECMW-QFIPXVFZSA-N 0 0 454.592 4.582 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccccc3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001492695171 1066841038 /nfs/dbraw/zinc/84/10/38/1066841038.db2.gz QVJATPNHMNGAER-QJWGWKRISA-N 0 0 457.669 4.907 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C(C)C)n2Cc2cccnc2OCC(F)(F)F)cs1 ZINC001492695192 1066841044 /nfs/dbraw/zinc/84/10/44/1066841044.db2.gz RXRLJBLTGNJBRC-QGZVFWFLSA-N 0 0 466.533 4.892 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1)O[C@@H](C)C2 ZINC001457488209 1066841121 /nfs/dbraw/zinc/84/11/21/1066841121.db2.gz KUGXFMAAYSKGQX-PXNLJIHASA-N 0 0 457.954 4.586 20 0 JJADRN CCCc1c(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001447686543 1066841499 /nfs/dbraw/zinc/84/14/99/1066841499.db2.gz FEAYFAKDRBRZHK-FQEVSTJZSA-N 0 0 452.502 4.677 20 0 JJADRN CC(C)Oc1ccc(N(C)C(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001447688524 1066841644 /nfs/dbraw/zinc/84/16/44/1066841644.db2.gz ATIXJJQFSFEZHO-UHFFFAOYSA-N 0 0 456.583 4.973 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C3CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492695206 1066841640 /nfs/dbraw/zinc/84/16/40/1066841640.db2.gz SONBDOPBIFQUJM-DNVCBOLYSA-N 0 0 460.648 4.765 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)cs1 ZINC001492695279 1066841652 /nfs/dbraw/zinc/84/16/52/1066841652.db2.gz VUJBQQQMNKHOHO-HXUWFJFHSA-N 0 0 452.628 4.522 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)cs1 ZINC001492695253 1066841662 /nfs/dbraw/zinc/84/16/62/1066841662.db2.gz UPZRLNZMSKCOQL-OAQYLSRUSA-N 0 0 466.655 4.632 20 0 JJADRN O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001457490201 1066841840 /nfs/dbraw/zinc/84/18/40/1066841840.db2.gz BRRXDVMOBXCQMC-LJQANCHMSA-N 0 0 453.970 4.846 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)cs1 ZINC001492695324 1066841756 /nfs/dbraw/zinc/84/17/56/1066841756.db2.gz XFPUOLOXKNYTCF-HXUWFJFHSA-N 0 0 473.668 4.546 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccnc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492695341 1066841769 /nfs/dbraw/zinc/84/17/69/1066841769.db2.gz XSKYBPNNVJWRQT-DYESRHJHSA-N 0 0 497.669 4.950 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2ccco2)s1 ZINC001492695466 1066842120 /nfs/dbraw/zinc/84/21/20/1066842120.db2.gz COALNXGDTSBEOA-NRFANRHFSA-N 0 0 461.950 4.640 20 0 JJADRN C[C@@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CCS1 ZINC001447689638 1066842181 /nfs/dbraw/zinc/84/21/81/1066842181.db2.gz DAPNZSXYXCLNJA-GOSISDBHSA-N 0 0 458.649 4.774 20 0 JJADRN CC(C)n1ncc(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1I ZINC001457491659 1066842377 /nfs/dbraw/zinc/84/23/77/1066842377.db2.gz FJLBGMWVYNPLJA-CHWSQXEVSA-N 0 0 459.759 4.986 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)NCC[C@H](O)c3ccc(Cl)c(Cl)c3)n2)cc1F ZINC001447690999 1066842703 /nfs/dbraw/zinc/84/27/03/1066842703.db2.gz HPESACOCERBAFU-SFHVURJKSA-N 0 0 452.313 4.663 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNC(=O)C(C)C)s1 ZINC001492695600 1066842784 /nfs/dbraw/zinc/84/27/84/1066842784.db2.gz HTFLGEJJHMPSJC-UHFFFAOYSA-N 0 0 481.453 4.816 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC2CCOCC2)s1 ZINC001492695587 1066842819 /nfs/dbraw/zinc/84/28/19/1066842819.db2.gz HFIVLYIXAIULAY-UHFFFAOYSA-N 0 0 462.417 4.536 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCO2)s1 ZINC001492695554 1066842874 /nfs/dbraw/zinc/84/28/74/1066842874.db2.gz FZTQWGVUKQDVOH-ZDUSSCGKSA-N 0 0 468.446 4.740 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCCCC2)s1 ZINC001492695657 1066842941 /nfs/dbraw/zinc/84/29/41/1066842941.db2.gz KDKAAXLUHSWGIS-UHFFFAOYSA-N 0 0 494.434 4.943 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC001457493365 1066843082 /nfs/dbraw/zinc/84/30/82/1066843082.db2.gz NXGKPPSYMPMFEC-HNNXBMFYSA-N 0 0 454.368 4.777 20 0 JJADRN CCc1c(NC(=O)C(F)(F)Oc2ccc(C=O)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001447692233 1066843353 /nfs/dbraw/zinc/84/33/53/1066843353.db2.gz ODKSOLXOKCKHLS-UHFFFAOYSA-N 0 0 453.367 4.876 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CSCCS2)s1 ZINC001492695842 1066843364 /nfs/dbraw/zinc/84/33/64/1066843364.db2.gz BPLVQEIGUYHFHZ-QGZVFWFLSA-N 0 0 452.074 4.848 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC001447692967 1066843490 /nfs/dbraw/zinc/84/34/90/1066843490.db2.gz YSWYDQHFZGLSNH-UHFFFAOYSA-N 0 0 455.324 4.787 20 0 JJADRN Cc1cc(OCCCC(=O)NC[C@@H](CO)Cc2ccccc2Br)ccc1Cl ZINC001447699056 1066844003 /nfs/dbraw/zinc/84/40/03/1066844003.db2.gz RQZFHYDJHSWMRD-INIZCTEOSA-N 0 0 454.792 4.537 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)COCc2ccccc2)s1 ZINC001492695923 1066844034 /nfs/dbraw/zinc/84/40/34/1066844034.db2.gz PZYSVRBAUKUDCE-GOSISDBHSA-N 0 0 450.612 4.538 20 0 JJADRN Cc1ccc(NC(=O)c2csc(I)c2)c(-c2nc(C3CC3)no2)c1 ZINC001457499990 1066844117 /nfs/dbraw/zinc/84/41/17/1066844117.db2.gz WQHNFZSSPZMDNX-UHFFFAOYSA-N 0 0 451.289 4.841 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492695938 1066844190 /nfs/dbraw/zinc/84/41/90/1066844190.db2.gz QPQLDEQTMOHIQD-HNNXBMFYSA-N 0 0 454.987 4.862 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4S[C@H](C)[C@H]3C)c2)C1 ZINC001457500031 1066844178 /nfs/dbraw/zinc/84/41/78/1066844178.db2.gz VZBJPSHMOLKAOC-FCGDIQPGSA-N 0 0 458.649 4.883 20 0 JJADRN CC(C)c1cccc(O[C@@H](C(=O)N2CCn3c(Br)cnc3C2)c2ccccc2)c1 ZINC001447699986 1066844516 /nfs/dbraw/zinc/84/45/16/1066844516.db2.gz XGNUVCWLGOCZHS-JOCHJYFZSA-N 0 0 454.368 4.932 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)N2CCn3c(Br)cnc3C2)c2ccccc2)c1 ZINC001447699988 1066844539 /nfs/dbraw/zinc/84/45/39/1066844539.db2.gz XGNUVCWLGOCZHS-QFIPXVFZSA-N 0 0 454.368 4.932 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCCO2)s1 ZINC001492696021 1066844641 /nfs/dbraw/zinc/84/46/41/1066844641.db2.gz DPSWNLFBQOQYHR-OAHLLOKOSA-N 0 0 480.407 4.817 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC001447705672 1066845129 /nfs/dbraw/zinc/84/51/29/1066845129.db2.gz FAWPFUKLPLREGF-JOCHJYFZSA-N 0 0 450.583 4.874 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cnn(C)c2)s1 ZINC001492696085 1066845227 /nfs/dbraw/zinc/84/52/27/1066845227.db2.gz UFDZMRYWWAKQFB-UHFFFAOYSA-N 0 0 492.834 4.544 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001457505695 1066845608 /nfs/dbraw/zinc/84/56/08/1066845608.db2.gz NMAYZKYNACGEJS-GVDBMIGSSA-N 0 0 457.434 4.805 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cccnc2)s1 ZINC001492696285 1066845857 /nfs/dbraw/zinc/84/58/57/1066845857.db2.gz IFJWKBQLAKMILU-MRXNPFEDSA-N 0 0 452.559 4.596 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCO)s1 ZINC001492696200 1066845912 /nfs/dbraw/zinc/84/59/12/1066845912.db2.gz XRUXOAKLABZUPZ-UHFFFAOYSA-N 0 0 484.851 4.925 20 0 JJADRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457508524 1066846041 /nfs/dbraw/zinc/84/60/41/1066846041.db2.gz KEDUZQDOQMVLLV-IBGZPJMESA-N 0 0 451.544 4.807 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@H]1Cc2cccc(O)c2C1)NC1CCCCCCC1 ZINC001447716704 1066846305 /nfs/dbraw/zinc/84/63/05/1066846305.db2.gz WZQHFFZACAWJNU-FQEVSTJZSA-N 0 0 452.620 4.611 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447716311 1066846511 /nfs/dbraw/zinc/84/65/11/1066846511.db2.gz HVHMPRJUUYSKIX-UHFFFAOYSA-N 0 0 450.942 4.801 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@@H]1Cc2cccc(O)c2C1)NC1CCCCCCC1 ZINC001447716705 1066846567 /nfs/dbraw/zinc/84/65/67/1066846567.db2.gz WZQHFFZACAWJNU-HXUWFJFHSA-N 0 0 452.620 4.611 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCC2)s1 ZINC001492696326 1066846600 /nfs/dbraw/zinc/84/66/00/1066846600.db2.gz JVCUOBRKQKDWEM-HNNXBMFYSA-N 0 0 462.019 4.778 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)c2)n1 ZINC001457510500 1066847101 /nfs/dbraw/zinc/84/71/01/1066847101.db2.gz UOPQQKKTAPWACP-IBGZPJMESA-N 0 0 450.539 4.854 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2cccnc2)C(C)C)s1 ZINC001492696526 1066847159 /nfs/dbraw/zinc/84/71/59/1066847159.db2.gz PAZHPPZUCLQRET-WIOPSUGQSA-N 0 0 484.670 4.555 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC001492696528 1066847176 /nfs/dbraw/zinc/84/71/76/1066847176.db2.gz PFNHXNVZPKFMFC-HWHXTQLESA-N 0 0 491.702 4.561 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)s1 ZINC001447724670 1066847555 /nfs/dbraw/zinc/84/75/55/1066847555.db2.gz CLBXXVDMCPMQMM-OZXSUGGESA-N 0 0 452.595 4.999 20 0 JJADRN Cc1ccc(C[C@@H](CO)NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 ZINC001447725504 1066847628 /nfs/dbraw/zinc/84/76/28/1066847628.db2.gz JTIOYFOEJUPGGF-SANMLTNESA-N 0 0 453.586 4.857 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cn1 ZINC001447724733 1066847774 /nfs/dbraw/zinc/84/77/74/1066847774.db2.gz YTAOCYDYYKWWFZ-XMMPIXPASA-N 0 0 458.562 4.561 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC=CCO2)s1 ZINC001492696249 1066847618 /nfs/dbraw/zinc/84/76/18/1066847618.db2.gz HHUFKXVENNJKMW-KXBFYZLASA-N 0 0 460.003 4.818 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccsc2)s1 ZINC001492696752 1066847631 /nfs/dbraw/zinc/84/76/31/1066847631.db2.gz WQNGQYLRVUBQFP-UHFFFAOYSA-N 0 0 487.054 4.567 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)s1 ZINC001492696692 1066847827 /nfs/dbraw/zinc/84/78/27/1066847827.db2.gz UTJUAFASYJWCAX-SFHVURJKSA-N 0 0 491.086 4.549 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492696899 1066848332 /nfs/dbraw/zinc/84/83/32/1066848332.db2.gz ALGZWLHBJKUUSE-RDJZCZTQSA-N 0 0 462.019 4.694 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCC[C@@H]2C)s1 ZINC001492696802 1066848342 /nfs/dbraw/zinc/84/83/42/1066848342.db2.gz XXMGFILLFIXFRZ-PBPSECFOSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)s1 ZINC001492696859 1066848365 /nfs/dbraw/zinc/84/83/65/1066848365.db2.gz ZNJALIQACSUVGD-YPSMLTEGSA-N 0 0 479.647 4.506 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cnc(OC(C)C)c(Cl)c3)c2C)ccn1 ZINC001457515210 1066848347 /nfs/dbraw/zinc/84/83/47/1066848347.db2.gz JZCZHWHHZHQVBP-UHFFFAOYSA-N 0 0 455.898 4.597 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cccc(Br)c3F)c2C)ccn1 ZINC001457515343 1066848415 /nfs/dbraw/zinc/84/84/15/1066848415.db2.gz KFMLKTHFFLCFCJ-UHFFFAOYSA-N 0 0 459.271 4.663 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1c(Cl)cc(F)cc1Br ZINC001447733558 1066848806 /nfs/dbraw/zinc/84/88/06/1066848806.db2.gz LPPUJFXUWFVQIC-XLIONFOSSA-N 0 0 458.730 4.884 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCCC3)n2CCCCn2cc(Br)cn2)s1 ZINC001492697377 1066848957 /nfs/dbraw/zinc/84/89/57/1066848957.db2.gz QMHUJDIJIXKMHU-UHFFFAOYSA-N 0 0 478.464 4.776 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Br)s2)s1 ZINC001492697114 1066848992 /nfs/dbraw/zinc/84/89/92/1066848992.db2.gz INFBDOHWQSURJX-INIZCTEOSA-N 0 0 482.473 4.988 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1csc(-c2ccccc2Cl)n1 ZINC001457517251 1066848932 /nfs/dbraw/zinc/84/89/32/1066848932.db2.gz JPKAANDHHZYOHK-UHFFFAOYSA-N 0 0 450.347 4.884 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3nc(Cc4ccccc4)no3)c2C(F)(F)F)cc1 ZINC001457516601 1066849000 /nfs/dbraw/zinc/84/90/00/1066849000.db2.gz KJRHHIVQESKITC-OAHLLOKOSA-N 0 0 455.440 4.664 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)nc1-c1ccccc1 ZINC001457516946 1066849069 /nfs/dbraw/zinc/84/90/69/1066849069.db2.gz GSZKDOIUBGNANX-UHFFFAOYSA-N 0 0 453.545 4.673 20 0 JJADRN CCCc1c(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cnn1-c1ccc(F)cc1 ZINC001447735827 1066849419 /nfs/dbraw/zinc/84/94/19/1066849419.db2.gz QAIOMEPNXBIMOE-AZGAKELHSA-N 0 0 453.533 4.607 20 0 JJADRN CCCc1c(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cnn1-c1ccc(F)cc1 ZINC001447735835 1066849561 /nfs/dbraw/zinc/84/95/61/1066849561.db2.gz QAIOMEPNXBIMOE-RSXGOPAZSA-N 0 0 453.533 4.607 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C[C@H](C)S1=O ZINC001447737027 1066849631 /nfs/dbraw/zinc/84/96/31/1066849631.db2.gz RRISPPFVCCINKL-STQMWFEESA-N 0 0 454.379 4.619 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC001492697641 1066849639 /nfs/dbraw/zinc/84/96/39/1066849639.db2.gz XRZCPJPJSUGNBA-GOSISDBHSA-N 0 0 495.575 4.837 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)n[nH]2)cc1 ZINC001457519183 1066850265 /nfs/dbraw/zinc/85/02/65/1066850265.db2.gz MGQRHKFSQDZWLZ-IBGZPJMESA-N 0 0 453.587 4.926 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC001447742862 1066850783 /nfs/dbraw/zinc/85/07/83/1066850783.db2.gz LJXSMCODTZUROM-WOJBJXKFSA-N 0 0 479.662 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ccc(-c4cncnc4)cc3F)C2)CC1 ZINC001447741630 1066850875 /nfs/dbraw/zinc/85/08/75/1066850875.db2.gz IKPLTWNSBDTHGM-UHFFFAOYSA-N 0 0 454.546 4.536 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccs2)s1 ZINC001492697770 1066850928 /nfs/dbraw/zinc/85/09/28/1066850928.db2.gz ZSXKGHGNSLSSQT-KRWDZBQOSA-N 0 0 488.683 4.904 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCCOc3ccc(F)cc3F)c2C)ccn1 ZINC001457520905 1066850914 /nfs/dbraw/zinc/85/09/14/1066850914.db2.gz ZUNPUJAVCCULBD-UHFFFAOYSA-N 0 0 456.445 4.585 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCCC2)s1 ZINC001492698373 1066851024 /nfs/dbraw/zinc/85/10/24/1066851024.db2.gz VOVLEZZMXROUEL-LJQANCHMSA-N 0 0 490.674 4.568 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CCOc2ccc(F)c(Cl)c2)CCO1 ZINC001546091656 1066852288 /nfs/dbraw/zinc/85/22/88/1066852288.db2.gz UMCUGKNAOCOOFS-HSZRJFAPSA-N 0 0 459.953 4.525 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(C)(C)C)CC1 ZINC001447750239 1066852377 /nfs/dbraw/zinc/85/23/77/1066852377.db2.gz HTXACMLCTIHPQI-SFHVURJKSA-N 0 0 455.462 4.585 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCCC2(C)C)s1 ZINC001492698687 1066852314 /nfs/dbraw/zinc/85/23/14/1066852314.db2.gz HOLPRQHAZKSFFY-KHCICDEESA-N 0 0 461.676 4.539 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCCCC2)s1 ZINC001492698670 1066852412 /nfs/dbraw/zinc/85/24/12/1066852412.db2.gz HEMAMKOERQFJTK-UHFFFAOYSA-N 0 0 455.628 4.570 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)c2cccc(Cl)c2)cc1 ZINC001546000101 1066852742 /nfs/dbraw/zinc/85/27/42/1066852742.db2.gz AZCLVCRUHMZUPZ-JOCHJYFZSA-N 0 0 458.967 4.630 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)s1 ZINC001492698867 1066852917 /nfs/dbraw/zinc/85/29/17/1066852917.db2.gz OVMLJTBFNAKADE-UHFFFAOYSA-N 0 0 467.643 4.554 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001457531128 1066853068 /nfs/dbraw/zinc/85/30/68/1066853068.db2.gz STNOZGQYXHIVKU-HNNXBMFYSA-N 0 0 457.368 4.713 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H](C)C2)s1 ZINC001492698978 1066853480 /nfs/dbraw/zinc/85/34/80/1066853480.db2.gz SPLZBTKIVLFJFN-UYAOXDASSA-N 0 0 455.628 4.690 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCOc4c(Cl)cccc43)c2)cc1 ZINC001457534177 1066853651 /nfs/dbraw/zinc/85/36/51/1066853651.db2.gz TWSRKUSVVOJWCS-UHFFFAOYSA-N 0 0 456.951 4.513 20 0 JJADRN CC(C)[C@H]1CN(C(=O)CCCc2ccccc2Br)CCN1C(=O)OC(C)(C)C ZINC001447754172 1066853658 /nfs/dbraw/zinc/85/36/58/1066853658.db2.gz JJIXQVQPKUJPKM-LJQANCHMSA-N 0 0 453.421 4.876 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCCc3c(F)cccc3Cl)[nH]c(=O)c2c1C ZINC001457531822 1066853842 /nfs/dbraw/zinc/85/38/42/1066853842.db2.gz BZUJYIUOPITEQD-GFCCVEGCSA-N 0 0 453.992 4.787 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492699267 1066854193 /nfs/dbraw/zinc/85/41/93/1066854193.db2.gz CPIYMXGYSJIRKW-UHFFFAOYSA-N 0 0 476.444 4.915 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2nccs2)s1 ZINC001492699610 1066854780 /nfs/dbraw/zinc/85/47/80/1066854780.db2.gz NKRMYJCZHGTSLB-INIZCTEOSA-N 0 0 454.625 4.941 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccn(C)n2)s1 ZINC001492699173 1066854789 /nfs/dbraw/zinc/85/47/89/1066854789.db2.gz ZYHVMHWVWIEPTI-UHFFFAOYSA-N 0 0 492.436 4.541 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492699323 1066854859 /nfs/dbraw/zinc/85/48/59/1066854859.db2.gz FORQXSLQOSADSB-LSDHHAIUSA-N 0 0 462.019 4.888 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001447777983 1066856309 /nfs/dbraw/zinc/85/63/09/1066856309.db2.gz HHZCJVBSYMWXTF-QRWLVFNGSA-N 0 0 457.983 4.601 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC001447786881 1066856915 /nfs/dbraw/zinc/85/69/15/1066856915.db2.gz QZEVPAHVSQHEQG-UHFFFAOYSA-N 0 0 452.429 4.614 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447788440 1066856954 /nfs/dbraw/zinc/85/69/54/1066856954.db2.gz YYWQPNHPXSSFEI-JLBUNGTFSA-N 0 0 451.375 4.785 20 0 JJADRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457545106 1066857236 /nfs/dbraw/zinc/85/72/36/1066857236.db2.gz QWFKZLIAQXLUFY-QLCOJLISSA-N 0 0 458.602 4.917 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492701090 1066857366 /nfs/dbraw/zinc/85/73/66/1066857366.db2.gz WPDMNPFOPHMYGR-BETUJISGSA-N 0 0 451.568 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C(C)(C)C1 ZINC001447789123 1066857662 /nfs/dbraw/zinc/85/76/62/1066857662.db2.gz CPDLPBSOLILSCK-QGZVFWFLSA-N 0 0 458.496 4.885 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC(OC(=O)Nc4cccc(F)c4)C3)cc2)no1 ZINC001447790512 1066857731 /nfs/dbraw/zinc/85/77/31/1066857731.db2.gz DDYHADQDZKJIDM-UHFFFAOYSA-N 0 0 452.486 4.537 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)Oc1cccc(Cl)c1 ZINC001457545561 1066857736 /nfs/dbraw/zinc/85/77/36/1066857736.db2.gz IMLRLJCHLNJAHN-YOEHRIQHSA-N 0 0 451.748 4.502 20 0 JJADRN CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457548483 1066858554 /nfs/dbraw/zinc/85/85/54/1066858554.db2.gz UXPZWLIOIMVPRS-UIOOFZCWSA-N 0 0 452.639 4.939 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCc2ccccn2)s1 ZINC001492701870 1066859102 /nfs/dbraw/zinc/85/91/02/1066859102.db2.gz JTCOVGUVBSJQDC-NRFANRHFSA-N 0 0 497.669 4.627 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)c3cccs3)CC2)s1 ZINC001492701848 1066859120 /nfs/dbraw/zinc/85/91/20/1066859120.db2.gz JFTPBVRVLGQTHV-UHFFFAOYSA-N 0 0 458.701 4.702 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001457551513 1066859230 /nfs/dbraw/zinc/85/92/30/1066859230.db2.gz UPNGIFDWFLOONP-ZDUSSCGKSA-N 0 0 458.274 4.872 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ccccc3)CC2)s1 ZINC001492701906 1066859299 /nfs/dbraw/zinc/85/92/99/1066859299.db2.gz KQWRRLQBQVICJG-LJQANCHMSA-N 0 0 452.672 4.758 20 0 JJADRN CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457552410 1066859370 /nfs/dbraw/zinc/85/93/70/1066859370.db2.gz YFVNIKALWPUWNF-FPOVZHCZSA-N 0 0 458.027 4.678 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492701834 1066859419 /nfs/dbraw/zinc/85/94/19/1066859419.db2.gz IRLNLIMDDZGDDI-FQEVSTJZSA-N 0 0 490.674 4.557 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cn1 ZINC001447794974 1066859632 /nfs/dbraw/zinc/85/96/32/1066859632.db2.gz UJPYEQDKBPOUHG-CYBMUJFWSA-N 0 0 450.347 4.680 20 0 JJADRN CO[C@]1(C(F)(F)F)CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001447794517 1066859638 /nfs/dbraw/zinc/85/96/38/1066859638.db2.gz UBZMIFTUVYHLIT-OAQYLSRUSA-N 0 0 455.908 4.978 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(F)cc2F)s1 ZINC001492701922 1066859896 /nfs/dbraw/zinc/85/98/96/1066859896.db2.gz LDFFPTOAEFRIKH-UYAOXDASSA-N 0 0 461.582 4.925 20 0 JJADRN COC(=O)[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC001447797814 1066860345 /nfs/dbraw/zinc/86/03/45/1066860345.db2.gz KSDLURBMQPJQAQ-GCJKJVERSA-N 0 0 458.514 4.755 20 0 JJADRN C[C@H](NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001457558047 1066860693 /nfs/dbraw/zinc/86/06/93/1066860693.db2.gz QXFLACQKOMPETQ-NPMXOYFQSA-N 0 0 459.443 4.672 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 ZINC001447799847 1066860850 /nfs/dbraw/zinc/86/08/50/1066860850.db2.gz WAJUYXPKTALZEG-UHFFFAOYSA-N 0 0 459.587 4.504 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NOCc2ccc(F)cc2Br)c(O)c1 ZINC001447799298 1066860971 /nfs/dbraw/zinc/86/09/71/1066860971.db2.gz CPWXWHWBOBUVJV-UHFFFAOYSA-N 0 0 455.280 4.502 20 0 JJADRN Cn1c(C(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1-c1ccc(Br)cc1 ZINC001447801305 1066860992 /nfs/dbraw/zinc/86/09/92/1066860992.db2.gz LYUZOSZTCZCQTH-AUUYWEPGSA-N 0 0 459.306 4.668 20 0 JJADRN Cc1ncc(Cn2c(CCc3ccccc3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)s1 ZINC001492702736 1066861174 /nfs/dbraw/zinc/86/11/74/1066861174.db2.gz PJKCGZLOTURXHJ-UHFFFAOYSA-N 0 0 496.681 4.760 20 0 JJADRN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc2cc(Br)ccc2s1 ZINC001457559507 1066861208 /nfs/dbraw/zinc/86/12/08/1066861208.db2.gz CWHUSBMOAYMDBT-UHFFFAOYSA-N 0 0 451.430 4.676 20 0 JJADRN COC(=O)c1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 ZINC001457561767 1066861428 /nfs/dbraw/zinc/86/14/28/1066861428.db2.gz IKOSKHVVUDFQLP-HNNXBMFYSA-N 0 0 458.458 4.758 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001492703563 1066861596 /nfs/dbraw/zinc/86/15/96/1066861596.db2.gz AYNLKGAJEYPPCN-FQEVSTJZSA-N 0 0 487.652 4.967 20 0 JJADRN CCCOc1cc(C)ccc1CNC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001457563289 1066861978 /nfs/dbraw/zinc/86/19/78/1066861978.db2.gz FXZVYLCATXGAEA-UHFFFAOYSA-N 0 0 451.592 4.674 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(N3CCCCCC3)cc2)cc1 ZINC001457563260 1066862054 /nfs/dbraw/zinc/86/20/54/1066862054.db2.gz FTUDJJFCFWJYLI-OAQYLSRUSA-N 0 0 451.611 4.853 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)O[C@@H](C)C2 ZINC001457563208 1066862192 /nfs/dbraw/zinc/86/21/92/1066862192.db2.gz IPQWIVNGNJMNCG-KYTYWPNMSA-N 0 0 452.473 4.709 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC001492704316 1066862494 /nfs/dbraw/zinc/86/24/94/1066862494.db2.gz YDZPANRAATZWBE-SFHVURJKSA-N 0 0 480.510 4.631 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3cc4cc(Cl)sc4[nH]3)cc2Br)CC1 ZINC001447803127 1066862752 /nfs/dbraw/zinc/86/27/52/1066862752.db2.gz PPPQNZSXNMDROC-UHFFFAOYSA-N 0 0 453.793 4.649 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001447804999 1066863000 /nfs/dbraw/zinc/86/30/00/1066863000.db2.gz JEJQDJMRXVEUOC-FOIQADDNSA-N 0 0 453.480 4.732 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001457564657 1066863594 /nfs/dbraw/zinc/86/35/94/1066863594.db2.gz PEYIZGVIDMLKBH-KZULUSFZSA-N 0 0 454.329 4.863 20 0 JJADRN CO[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@@H]1C ZINC001447810095 1066863779 /nfs/dbraw/zinc/86/37/79/1066863779.db2.gz OGRURDRZWBVMGK-NPMXOYFQSA-N 0 0 458.624 4.527 20 0 JJADRN COc1cc(C(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)ccc1Cl ZINC001447806618 1066863786 /nfs/dbraw/zinc/86/37/86/1066863786.db2.gz ZZKQGJISPPRCCG-UHFFFAOYSA-N 0 0 456.764 4.533 20 0 JJADRN CO[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@H]1C ZINC001447810085 1066863824 /nfs/dbraw/zinc/86/38/24/1066863824.db2.gz OGRURDRZWBVMGK-CMJOXMDJSA-N 0 0 458.624 4.527 20 0 JJADRN CCCN(CC(=O)OC)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 ZINC001447807419 1066863832 /nfs/dbraw/zinc/86/38/32/1066863832.db2.gz LUIGEEIGWONWHW-UHFFFAOYSA-N 0 0 453.564 4.516 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492704879 1066863879 /nfs/dbraw/zinc/86/38/79/1066863879.db2.gz PICUUPCKNGICRA-FQEVSTJZSA-N 0 0 454.594 4.853 20 0 JJADRN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565309 1066864085 /nfs/dbraw/zinc/86/40/85/1066864085.db2.gz ILMJBRSTYZLDAT-XQQFMLRXSA-N 0 0 459.805 4.634 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)s1 ZINC001447811717 1066864359 /nfs/dbraw/zinc/86/43/59/1066864359.db2.gz UGJHEKXHLUJRRX-UHFFFAOYSA-N 0 0 450.992 4.926 20 0 JJADRN CCOC(=O)c1c(NC(=O)CCOc2cccc(Br)c2)sc2c1CCCC2 ZINC001447814228 1066865036 /nfs/dbraw/zinc/86/50/36/1066865036.db2.gz ZQHHZKVHROROIR-UHFFFAOYSA-N 0 0 452.370 4.974 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001447813076 1066865149 /nfs/dbraw/zinc/86/51/49/1066865149.db2.gz HNWDWITYSBBVGM-NSHDSACASA-N 0 0 457.836 4.624 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001492705784 1066866016 /nfs/dbraw/zinc/86/60/16/1066866016.db2.gz RCJLUZFGXJMNIK-IBGZPJMESA-N 0 0 475.460 4.635 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492705829 1066866054 /nfs/dbraw/zinc/86/60/54/1066866054.db2.gz STKVEVDEQYCBKB-UHFFFAOYSA-N 0 0 494.949 4.932 20 0 JJADRN Cc1nccn1CCCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492705885 1066866127 /nfs/dbraw/zinc/86/61/27/1066866127.db2.gz VHMJGSNPLJGAPH-NRFANRHFSA-N 0 0 476.547 4.984 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2C(C)(C)C)cc1F ZINC001492705834 1066866170 /nfs/dbraw/zinc/86/61/70/1066866170.db2.gz SYDOLOCZXUMLHQ-IYBDPMFKSA-N 0 0 460.548 4.985 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC001492705677 1066866226 /nfs/dbraw/zinc/86/62/26/1066866226.db2.gz NXTZVMQMFCZGTA-INIZCTEOSA-N 0 0 475.460 4.635 20 0 JJADRN O=C(Nc1ccc(Cl)cc1I)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001457571201 1066866711 /nfs/dbraw/zinc/86/67/11/1066866711.db2.gz FXAUUCCLTAKDMO-HNNXBMFYSA-N 0 0 457.695 4.755 20 0 JJADRN Cc1cccc(CNC(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)c1Br ZINC001447836896 1066867049 /nfs/dbraw/zinc/86/70/49/1066867049.db2.gz XTOOECSNVNMMFJ-UHFFFAOYSA-N 0 0 454.390 4.810 20 0 JJADRN CNc1ncccc1C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001447831402 1066867070 /nfs/dbraw/zinc/86/70/70/1066867070.db2.gz AEBDEYKQZWGPRH-UNMCSNQZSA-N 0 0 452.599 4.502 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706252 1066867378 /nfs/dbraw/zinc/86/73/78/1066867378.db2.gz HTHGTTWJZWIXTF-IBGZPJMESA-N 0 0 454.594 4.854 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)N1C[C@@H](C)O[C@H](C)C1 ZINC001457572319 1066867674 /nfs/dbraw/zinc/86/76/74/1066867674.db2.gz OSQGZNGVLNRIQR-CPUCHLNUSA-N 0 0 455.049 4.556 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1cnn(C)c1 ZINC001492706101 1066867717 /nfs/dbraw/zinc/86/77/17/1066867717.db2.gz CIQPVYVUHCMDNE-UHFFFAOYSA-N 0 0 475.384 4.626 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cnc(Cl)c(Br)c1 ZINC001457572934 1066867830 /nfs/dbraw/zinc/86/78/30/1066867830.db2.gz HPXJQNLHUBJRCH-SFHVURJKSA-N 0 0 458.743 4.997 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(Br)c(O)c1 ZINC001457573258 1066867851 /nfs/dbraw/zinc/86/78/51/1066867851.db2.gz GREWEUZRDWQBAX-UHFFFAOYSA-N 0 0 458.274 4.652 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706302 1066868353 /nfs/dbraw/zinc/86/83/53/1066868353.db2.gz IZJCQECYTCBRSV-UHFFFAOYSA-N 0 0 486.611 4.916 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1F)NC(=O)OC(C)(C)C ZINC001546000875 1066868436 /nfs/dbraw/zinc/86/84/36/1066868436.db2.gz COXVDOODHHFEGM-OAQYLSRUSA-N 0 0 482.604 4.733 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)NCc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c2nc1C ZINC001457575349 1066868572 /nfs/dbraw/zinc/86/85/72/1066868572.db2.gz FWUMEAXVODVNBF-MRXNPFEDSA-N 0 0 452.530 4.901 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 ZINC001447843736 1066868527 /nfs/dbraw/zinc/86/85/27/1066868527.db2.gz WPLIZWXGUQJSAX-TUACAJSNSA-N 0 0 451.611 4.950 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCCN1Cc1cccnc1 ZINC001447845498 1066868571 /nfs/dbraw/zinc/86/85/71/1066868571.db2.gz ICEHJKCLTPNMNB-PKTZIBPZSA-N 0 0 456.428 4.726 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1F)NC(=O)OC(C)(C)C ZINC001546000874 1066868586 /nfs/dbraw/zinc/86/85/86/1066868586.db2.gz COXVDOODHHFEGM-NRFANRHFSA-N 0 0 482.604 4.733 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC001447846968 1066869006 /nfs/dbraw/zinc/86/90/06/1066869006.db2.gz XJBUTEYUNUILJL-UHFFFAOYSA-N 0 0 456.534 4.568 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001457576470 1066869081 /nfs/dbraw/zinc/86/90/81/1066869081.db2.gz ROLVNGSNBPJAKB-HNNXBMFYSA-N 0 0 457.155 4.703 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492706627 1066869011 /nfs/dbraw/zinc/86/90/11/1066869011.db2.gz UASQVLIJBMFSHQ-UHFFFAOYSA-N 0 0 464.511 4.772 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001447846715 1066869086 /nfs/dbraw/zinc/86/90/86/1066869086.db2.gz MIIGHFBPIAAIMS-IFMALSPDSA-N 0 0 455.396 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001447846909 1066869724 /nfs/dbraw/zinc/86/97/24/1066869724.db2.gz ZVZVBAIWUHMLLZ-MSOLQXFVSA-N 0 0 459.414 4.959 20 0 JJADRN O=C(c1cccc(Sc2cccc(Br)c2)n1)N1CCc2ccc(O)cc2CC1 ZINC001457577276 1066869796 /nfs/dbraw/zinc/86/97/96/1066869796.db2.gz KLNKCQOKFGKPCG-UHFFFAOYSA-N 0 0 455.377 4.942 20 0 JJADRN Cc1nccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706858 1066869872 /nfs/dbraw/zinc/86/98/72/1066869872.db2.gz CJFXUWUJEYHXKD-OAQYLSRUSA-N 0 0 457.022 4.978 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001447858542 1066870249 /nfs/dbraw/zinc/87/02/49/1066870249.db2.gz NLJBYJRMONPPAY-JOCHJYFZSA-N 0 0 452.334 4.560 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC001457579877 1066870238 /nfs/dbraw/zinc/87/02/38/1066870238.db2.gz VWLIGSPVQPQSJR-NWDGAFQWSA-N 0 0 457.021 4.972 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4cc(Br)ccc4c3)CC2=O)cc1 ZINC001457579075 1066870243 /nfs/dbraw/zinc/87/02/43/1066870243.db2.gz ABBGZIOVUFGRHI-SFHVURJKSA-N 0 0 453.336 4.598 20 0 JJADRN Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)sc1C ZINC001457581097 1066870914 /nfs/dbraw/zinc/87/09/14/1066870914.db2.gz DVBDULOJUMYVMV-XXBNENTESA-N 0 0 453.633 4.973 20 0 JJADRN O=C(c1ccc(Oc2ccccc2)cn1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001447862705 1066870885 /nfs/dbraw/zinc/87/08/85/1066870885.db2.gz SLFQBUYGUUPFRE-NRFANRHFSA-N 0 0 457.299 4.989 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4cc(Br)ccc4c3)CC2=O)cc1 ZINC001457584878 1066871418 /nfs/dbraw/zinc/87/14/18/1066871418.db2.gz JYOUZHGGDDHPIY-KRWDZBQOSA-N 0 0 453.336 4.993 20 0 JJADRN Cc1sc(Br)nc1C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001457582371 1066871525 /nfs/dbraw/zinc/87/15/25/1066871525.db2.gz VSWIGFJEVFYGKY-NSHDSACASA-N 0 0 454.390 4.730 20 0 JJADRN Cc1sc(Br)nc1C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001457582364 1066871622 /nfs/dbraw/zinc/87/16/22/1066871622.db2.gz VSWIGFJEVFYGKY-LLVKDONJSA-N 0 0 454.390 4.730 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447869380 1066872132 /nfs/dbraw/zinc/87/21/32/1066872132.db2.gz OBSDMLOOZNMYCF-AAEUAGOBSA-N 0 0 459.559 4.698 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492708389 1066872293 /nfs/dbraw/zinc/87/22/93/1066872293.db2.gz YMBUFBSQTBRFQQ-IAGOWNOFSA-N 0 0 457.420 4.785 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC001457589991 1066872685 /nfs/dbraw/zinc/87/26/85/1066872685.db2.gz DKZWWJNOOAJVSH-HTAPYJJXSA-N 0 0 458.514 4.899 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1C(=O)c1cccs1 ZINC001447869768 1066872857 /nfs/dbraw/zinc/87/28/57/1066872857.db2.gz TVITWCIZJIFHMA-QGZVFWFLSA-N 0 0 458.461 4.533 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)C1 ZINC001492708821 1066873175 /nfs/dbraw/zinc/87/31/75/1066873175.db2.gz MSOYJGLJCYDANC-HXUWFJFHSA-N 0 0 450.631 4.986 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001457591273 1066873217 /nfs/dbraw/zinc/87/32/17/1066873217.db2.gz HUTATDXOYYAQJV-SNVBAGLBSA-N 0 0 457.752 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C(C)(C)C1 ZINC001447888478 1066873449 /nfs/dbraw/zinc/87/34/49/1066873449.db2.gz BUAMCQAVDABRHT-LLVKDONJSA-N 0 0 454.955 4.829 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492709489 1066873829 /nfs/dbraw/zinc/87/38/29/1066873829.db2.gz KQVNWGZERSUUNF-WOJBJXKFSA-N 0 0 482.595 4.961 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492709222 1066873926 /nfs/dbraw/zinc/87/39/26/1066873926.db2.gz BZYFLMAGSBQLRZ-RDJZCZTQSA-N 0 0 466.483 4.541 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CC(C)(C)Sc4ccccc43)n2)CCCCCC1 ZINC001457594215 1066874190 /nfs/dbraw/zinc/87/41/90/1066874190.db2.gz NVPVWZBDGREWOK-UHFFFAOYSA-N 0 0 456.612 4.605 20 0 JJADRN Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc1)CC2 ZINC001447897391 1066874226 /nfs/dbraw/zinc/87/42/26/1066874226.db2.gz RIOQXWFXRAENOQ-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc2cc(Br)ccc2c1)N1C(=O)c2ccccc2C1=O ZINC001457594869 1066874609 /nfs/dbraw/zinc/87/46/09/1066874609.db2.gz WDCNJYYXNJQNCD-HXUWFJFHSA-N 0 0 451.320 4.862 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492710072 1066874692 /nfs/dbraw/zinc/87/46/92/1066874692.db2.gz CBYUAHXYOGHOAP-INIZCTEOSA-N 0 0 481.489 4.552 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(-c2ccccc2C)nn1CCO ZINC001457595964 1066874743 /nfs/dbraw/zinc/87/47/43/1066874743.db2.gz SIDWIORJUZREEU-UHFFFAOYSA-N 0 0 450.539 4.759 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(C)cc2OCC2CC2)c1 ZINC001457595601 1066874803 /nfs/dbraw/zinc/87/48/03/1066874803.db2.gz MNCVAFOZYZVNDI-HSZRJFAPSA-N 0 0 454.567 4.675 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492710284 1066875242 /nfs/dbraw/zinc/87/52/42/1066875242.db2.gz JUWRSRNIQQFUHB-INIZCTEOSA-N 0 0 457.420 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC001447905895 1066875460 /nfs/dbraw/zinc/87/54/60/1066875460.db2.gz PBXLXZVVYFKPOC-UHFFFAOYSA-N 0 0 451.405 4.802 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)no2)c1 ZINC001447915046 1066876005 /nfs/dbraw/zinc/87/60/05/1066876005.db2.gz OYEJZVCPOWWQMG-UHFFFAOYSA-N 0 0 459.424 4.586 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(Cc1ccccc1)C1CC1)NC(=O)OC(C)(C)C ZINC001546001261 1066876150 /nfs/dbraw/zinc/87/61/50/1066876150.db2.gz JZIFKVPSPHHBPP-QFIPXVFZSA-N 0 0 476.625 4.736 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457602622 1066876065 /nfs/dbraw/zinc/87/60/65/1066876065.db2.gz BMDOXLFZACGBNY-ZDUSSCGKSA-N 0 0 454.880 4.501 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CCCCC1 ZINC001457604287 1066876130 /nfs/dbraw/zinc/87/61/30/1066876130.db2.gz FZFIHYRQTWJDGM-NRFANRHFSA-N 0 0 454.596 4.901 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC1CCOCC1 ZINC001492711863 1066876706 /nfs/dbraw/zinc/87/67/06/1066876706.db2.gz IWPAWBFRIXIIHP-UHFFFAOYSA-N 0 0 480.657 4.613 20 0 JJADRN CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001447920722 1066876871 /nfs/dbraw/zinc/87/68/71/1066876871.db2.gz FIEHFOWICFESRQ-CALCHBBNSA-N 0 0 458.990 4.702 20 0 JJADRN Cc1nccn1CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 ZINC001492711821 1066876907 /nfs/dbraw/zinc/87/69/07/1066876907.db2.gz HRUDUUFNWACLCB-UHFFFAOYSA-N 0 0 489.418 4.674 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492711895 1066877585 /nfs/dbraw/zinc/87/75/85/1066877585.db2.gz KIAAOMIXTRIRCD-QGZVFWFLSA-N 0 0 487.446 4.697 20 0 JJADRN Cc1nccn1CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492712173 1066877604 /nfs/dbraw/zinc/87/76/04/1066877604.db2.gz VEJXVFMUTIPRPJ-UHFFFAOYSA-N 0 0 462.957 4.704 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(C)CC1 ZINC001492712162 1066877663 /nfs/dbraw/zinc/87/76/63/1066877663.db2.gz URTXMCGQARFMCJ-UHFFFAOYSA-N 0 0 450.631 4.986 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C)CC1 ZINC001492712027 1066877798 /nfs/dbraw/zinc/87/77/98/1066877798.db2.gz PRIPNCMMZHBEBP-INIZCTEOSA-N 0 0 463.413 4.995 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001447936855 1066878190 /nfs/dbraw/zinc/87/81/90/1066878190.db2.gz YXYJWXOTQFEACR-GASCZTMLSA-N 0 0 455.418 4.785 20 0 JJADRN O=C(Nc1nc(Br)ccc1O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001447929468 1066878241 /nfs/dbraw/zinc/87/82/41/1066878241.db2.gz NDESBNZEXZMFEW-UHFFFAOYSA-N 0 0 459.687 4.901 20 0 JJADRN Cc1nccnc1CCn1c(C(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001492712565 1066878418 /nfs/dbraw/zinc/87/84/18/1066878418.db2.gz HODZVARMEKGHPZ-LJQANCHMSA-N 0 0 461.383 4.652 20 0 JJADRN Cc1nccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492712771 1066878617 /nfs/dbraw/zinc/87/86/17/1066878617.db2.gz NRGIHHAWIGMLGQ-INIZCTEOSA-N 0 0 466.989 4.910 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1cc(-c2ccccc2F)no1 ZINC001457611111 1066878611 /nfs/dbraw/zinc/87/86/11/1066878611.db2.gz JMQCCEFQUZMZBB-MHZLTWQESA-N 0 0 451.317 4.770 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 ZINC001447938783 1066878757 /nfs/dbraw/zinc/87/87/57/1066878757.db2.gz DUPMYVCYOIZMRJ-NVXWUHKLSA-N 0 0 452.363 4.760 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 ZINC001447938789 1066878794 /nfs/dbraw/zinc/87/87/94/1066878794.db2.gz DUPMYVCYOIZMRJ-WBVHZDCISA-N 0 0 452.363 4.760 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC=C(Br)C1 ZINC001492713365 1066878910 /nfs/dbraw/zinc/87/89/10/1066878910.db2.gz HJDCMGCCINXNPH-UHFFFAOYSA-N 0 0 477.769 4.568 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1C ZINC001457614864 1066879114 /nfs/dbraw/zinc/87/91/14/1066879114.db2.gz LJKFHBFDOOMOFS-UHFFFAOYSA-N 0 0 453.568 4.801 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001492713518 1066879819 /nfs/dbraw/zinc/87/98/19/1066879819.db2.gz MTCGTCZJVDMVSA-FQEVSTJZSA-N 0 0 455.404 4.674 20 0 JJADRN CC(C)C[C@H](CC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)NC(=O)OC(C)(C)C ZINC001447946487 1066879984 /nfs/dbraw/zinc/87/99/84/1066879984.db2.gz OHLSRBFHUJRJKR-HEFCMCLBSA-N 0 0 459.414 4.739 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492713861 1066880176 /nfs/dbraw/zinc/88/01/76/1066880176.db2.gz YGHFVKCSPBVHOZ-DEOSSOPVSA-N 0 0 455.006 4.581 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nccnc1C ZINC001492713871 1066880193 /nfs/dbraw/zinc/88/01/93/1066880193.db2.gz YTWGVRHPABXFFC-UHFFFAOYSA-N 0 0 472.641 4.570 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492713884 1066880899 /nfs/dbraw/zinc/88/08/99/1066880899.db2.gz ZEFXSALSRVEXBB-HZPDHXFCSA-N 0 0 455.404 4.674 20 0 JJADRN COc1ccccc1[C@@](N)(C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1)C(F)(F)F ZINC001457617935 1066881092 /nfs/dbraw/zinc/88/10/92/1066881092.db2.gz LENYBYVADQYAKF-XUZZJYLKSA-N 0 0 458.480 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001447953092 1066881230 /nfs/dbraw/zinc/88/12/30/1066881230.db2.gz AYVOXDPBUYIHRS-ROUUACIJSA-N 0 0 453.421 4.970 20 0 JJADRN CCc1[nH]nc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1C ZINC001457619576 1066881689 /nfs/dbraw/zinc/88/16/89/1066881689.db2.gz HUIQDQYKCRVEET-UHFFFAOYSA-N 0 0 456.959 4.565 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)n1 ZINC001457618961 1066881713 /nfs/dbraw/zinc/88/17/13/1066881713.db2.gz XQAUVHQIHAFTLV-UHFFFAOYSA-N 0 0 450.520 4.711 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(C)(F)F)CC1 ZINC001492716001 1066881953 /nfs/dbraw/zinc/88/19/53/1066881953.db2.gz SPJDHEJLUKOEEX-UHFFFAOYSA-N 0 0 482.366 4.722 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)CCCC1 ZINC001447956164 1066882222 /nfs/dbraw/zinc/88/22/22/1066882222.db2.gz BKTPELBHJAYKKF-UHFFFAOYSA-N 0 0 455.549 4.705 20 0 JJADRN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001447957121 1066882260 /nfs/dbraw/zinc/88/22/60/1066882260.db2.gz IZYHMCUPDTVRDA-UHFFFAOYSA-N 0 0 458.845 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)on2)CC1 ZINC001447956363 1066882343 /nfs/dbraw/zinc/88/23/43/1066882343.db2.gz FWTPBGSBPIHCBR-FPOVZHCZSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOC[C@@H]1CCCO1 ZINC001492716945 1066882753 /nfs/dbraw/zinc/88/27/53/1066882753.db2.gz DXYYZSSUTLISMD-DEOSSOPVSA-N 0 0 494.684 4.815 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@@H](C)C2)CCO1 ZINC001546092958 1066883353 /nfs/dbraw/zinc/88/33/53/1066883353.db2.gz IADQUMMJWMUSED-BVFVYWQFSA-N 0 0 475.678 4.834 20 0 JJADRN Cc1ccc(CNC(=O)c2nccc3c(Br)cccc32)c(OC[C@@H]2CCOC2)c1 ZINC001457623610 1066883797 /nfs/dbraw/zinc/88/37/97/1066883797.db2.gz KIGGTOBUIXOYHE-MRXNPFEDSA-N 0 0 455.352 4.651 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001447964093 1066883966 /nfs/dbraw/zinc/88/39/66/1066883966.db2.gz BOULICMZQSRZMY-PKOBYXMFSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCC(F)(F)F ZINC001492717445 1066884213 /nfs/dbraw/zinc/88/42/13/1066884213.db2.gz ROJNHQLSTITTDI-INIZCTEOSA-N 0 0 468.499 4.886 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cccnc1SC(F)F ZINC001447964921 1066884352 /nfs/dbraw/zinc/88/43/52/1066884352.db2.gz JRXSMGZFEMZTKG-OAHLLOKOSA-N 0 0 459.356 4.927 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cccnc1SC(F)F ZINC001447964917 1066884467 /nfs/dbraw/zinc/88/44/67/1066884467.db2.gz JRXSMGZFEMZTKG-HNNXBMFYSA-N 0 0 459.356 4.927 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCCC1 ZINC001492717332 1066884412 /nfs/dbraw/zinc/88/44/12/1066884412.db2.gz RHCCFDVYJABDQJ-UHFFFAOYSA-N 0 0 457.420 4.885 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1(O)CCC1 ZINC001492717493 1066884808 /nfs/dbraw/zinc/88/48/08/1066884808.db2.gz SDVCYFCIIQYACV-UHFFFAOYSA-N 0 0 450.631 4.534 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001457626308 1066885063 /nfs/dbraw/zinc/88/50/63/1066885063.db2.gz VKZJQLKJFJZEEG-MRXNPFEDSA-N 0 0 457.343 4.852 20 0 JJADRN Cc1nc([C@H]2CCCN2C(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cs1 ZINC001447967317 1066884966 /nfs/dbraw/zinc/88/49/66/1066884966.db2.gz CWXNSXCOGUWANA-AZUAARDMSA-N 0 0 455.580 4.997 20 0 JJADRN Cc1ccc(CNC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c(OC(C)C)c1 ZINC001457628812 1066885552 /nfs/dbraw/zinc/88/55/52/1066885552.db2.gz BNOTZHBNJVKRNE-UHFFFAOYSA-N 0 0 452.864 4.965 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c(OC(F)F)c1 ZINC001457628972 1066885566 /nfs/dbraw/zinc/88/55/66/1066885566.db2.gz ULNDCEKXLSFOAE-UHFFFAOYSA-N 0 0 450.445 4.856 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001447975501 1066886218 /nfs/dbraw/zinc/88/62/18/1066886218.db2.gz WEQTZYBLRFRMJA-PZJWPPBQSA-N 0 0 457.412 4.899 20 0 JJADRN O=C(COc1ccc(Br)cc1)Nc1cc(-c2ccccc2Br)no1 ZINC001457631019 1066886224 /nfs/dbraw/zinc/88/62/24/1066886224.db2.gz HDYQKGCQLBFZDJ-UHFFFAOYSA-N 0 0 452.102 4.884 20 0 JJADRN CCCc1c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)nnn1-c1cccc(C(C)C)c1 ZINC001457632399 1066886673 /nfs/dbraw/zinc/88/66/73/1066886673.db2.gz DTUSPZUJEVVKQE-UHFFFAOYSA-N 0 0 455.562 4.806 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001546001850 1066886773 /nfs/dbraw/zinc/88/67/73/1066886773.db2.gz VBOYOKUWYSKWNC-PKTZIBPZSA-N 0 0 490.652 4.809 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccs1)NC(=O)OC(C)(C)C ZINC001546001872 1066886981 /nfs/dbraw/zinc/88/69/81/1066886981.db2.gz VJFNKIPSLUEFLQ-VQTJNVASSA-N 0 0 482.654 4.970 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCCS1 ZINC001492718427 1066887310 /nfs/dbraw/zinc/88/73/10/1066887310.db2.gz FRHVMVYKARGOAL-JOCHJYFZSA-N 0 0 452.672 4.726 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc3c(c2)SCC(=O)N3)CC1 ZINC001447979249 1066887328 /nfs/dbraw/zinc/88/73/28/1066887328.db2.gz GSHUOJOSPGFHDY-UHFFFAOYSA-N 0 0 452.576 4.706 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)nc1C ZINC001447981258 1066887484 /nfs/dbraw/zinc/88/74/84/1066887484.db2.gz JRQZWXKSCKNCBR-UHFFFAOYSA-N 0 0 452.551 4.542 20 0 JJADRN O=C(c1n[nH]c2c1CCCCC2)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447978652 1066887496 /nfs/dbraw/zinc/88/74/96/1066887496.db2.gz BSGNLNKRHVPDJR-JOCHJYFZSA-N 0 0 455.505 4.656 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001457632839 1066887439 /nfs/dbraw/zinc/88/74/39/1066887439.db2.gz JGAKXMVNOQIBBE-LJQANCHMSA-N 0 0 455.287 4.698 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(-c2ccccc2Br)no1)N1Cc2ccccc2C1=O ZINC001457633227 1066887499 /nfs/dbraw/zinc/88/74/99/1066887499.db2.gz QRUNRLSKDPWIOP-FQEVSTJZSA-N 0 0 454.324 4.723 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c(OC(C)C)c1 ZINC001457632061 1066887537 /nfs/dbraw/zinc/88/75/37/1066887537.db2.gz OEKZAXCYTZRAAW-QHCPKHFHSA-N 0 0 454.567 4.769 20 0 JJADRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC001457633745 1066888114 /nfs/dbraw/zinc/88/81/14/1066888114.db2.gz HWUMEZBHTKIHMQ-OAQYLSRUSA-N 0 0 456.876 4.733 20 0 JJADRN Cc1nn(C(C)(C)C)cc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447983324 1066888040 /nfs/dbraw/zinc/88/80/40/1066888040.db2.gz NAOKXRCLCZHSOW-JOCHJYFZSA-N 0 0 457.521 4.924 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCCO2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492719326 1066888306 /nfs/dbraw/zinc/88/83/06/1066888306.db2.gz HPQJOQBSSBDWNG-LJQANCHMSA-N 0 0 471.675 4.503 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1CCCOc1ccc(F)cc1 ZINC001492719077 1066888370 /nfs/dbraw/zinc/88/83/70/1066888370.db2.gz ZBGDJLSEZXUPSV-UHFFFAOYSA-N 0 0 454.594 4.606 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)cs2)cc1 ZINC001457636501 1066888617 /nfs/dbraw/zinc/88/86/17/1066888617.db2.gz KVWXCLZHJPXDJA-FQEVSTJZSA-N 0 0 455.530 4.676 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccccc2[C@H]1C)NC(=O)OC(C)(C)C ZINC001546002018 1066888700 /nfs/dbraw/zinc/88/87/00/1066888700.db2.gz YGAPZYLFVDENGF-DENIHFKCSA-N 0 0 476.625 4.691 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492719464 1066888854 /nfs/dbraw/zinc/88/88/54/1066888854.db2.gz MQAPTNRANPXROI-FQEVSTJZSA-N 0 0 485.677 4.570 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1 ZINC001457637363 1066889157 /nfs/dbraw/zinc/88/91/57/1066889157.db2.gz XZWHCLSDMACPKA-INIZCTEOSA-N 0 0 456.539 4.830 20 0 JJADRN CCn1c(SCC(=O)NCC2(OC(C)C)CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC001457638895 1066889166 /nfs/dbraw/zinc/88/91/66/1066889166.db2.gz RQMXVDTWSIBHMP-UHFFFAOYSA-N 0 0 451.036 4.955 20 0 JJADRN COC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)CCCCC1 ZINC001447998781 1066889246 /nfs/dbraw/zinc/88/92/46/1066889246.db2.gz VPFIOJBQJJEDSJ-UHFFFAOYSA-N 0 0 450.988 4.528 20 0 JJADRN CC[C@](O)(CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001448004740 1066889354 /nfs/dbraw/zinc/88/93/54/1066889354.db2.gz NFILMZPCPSKYMD-UPVQGACJSA-N 0 0 453.380 4.932 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1 ZINC001492720275 1066889422 /nfs/dbraw/zinc/88/94/22/1066889422.db2.gz KHGOPOXKWAWJHE-UHFFFAOYSA-N 0 0 493.439 4.577 20 0 JJADRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001457640787 1066889565 /nfs/dbraw/zinc/88/95/65/1066889565.db2.gz UMXBDVDCMDMUSM-IFMALSPDSA-N 0 0 456.876 4.660 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C/C=C/c1ccccc1 ZINC001492720502 1066889952 /nfs/dbraw/zinc/88/99/52/1066889952.db2.gz QOGAFJWFWJOKNA-LGRGTOJPSA-N 0 0 462.642 4.897 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1c(Cl)nc2ccccn21 ZINC001448008190 1066889999 /nfs/dbraw/zinc/88/99/99/1066889999.db2.gz XFTGRSHLEVLDKV-QGZVFWFLSA-N 0 0 455.743 4.859 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492720671 1066890487 /nfs/dbraw/zinc/89/04/87/1066890487.db2.gz XJUJJZVXNNBHSQ-PMACEKPBSA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492720538 1066890515 /nfs/dbraw/zinc/89/05/15/1066890515.db2.gz RJRUZWMOSHUWDQ-IRXDYDNUSA-N 0 0 480.510 4.735 20 0 JJADRN CC(C)C1(C)CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 ZINC001448020936 1066891116 /nfs/dbraw/zinc/89/11/16/1066891116.db2.gz COCNVXOKEAQHPT-IBGZPJMESA-N 0 0 453.396 4.868 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 ZINC001492721012 1066891480 /nfs/dbraw/zinc/89/14/80/1066891480.db2.gz INGLLTQYGYRLBG-UHFFFAOYSA-N 0 0 463.811 4.606 20 0 JJADRN COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)ccc1OCc1cccnc1 ZINC001457658534 1066891487 /nfs/dbraw/zinc/89/14/87/1066891487.db2.gz KKMOZAWXEPSZFR-UHFFFAOYSA-N 0 0 451.832 4.666 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)CCCCC1 ZINC001448022630 1066891488 /nfs/dbraw/zinc/89/14/88/1066891488.db2.gz KQSXIAOKMBYSOT-HXUWFJFHSA-N 0 0 452.542 4.730 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c(C)c1 ZINC001448023629 1066891563 /nfs/dbraw/zinc/89/15/63/1066891563.db2.gz GLMAXYDRLSCUKS-UHFFFAOYSA-N 0 0 451.539 4.739 20 0 JJADRN O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)[C@H]1COc2ccc(Br)cc21 ZINC001457661844 1066891973 /nfs/dbraw/zinc/89/19/73/1066891973.db2.gz RXUCJYPQILYIIM-AWEZNQCLSA-N 0 0 451.223 4.820 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)c1 ZINC001457660836 1066892215 /nfs/dbraw/zinc/89/22/15/1066892215.db2.gz HPMZQPNPHFUOTR-XMMPIXPASA-N 0 0 459.583 4.775 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC001546092751 1066892228 /nfs/dbraw/zinc/89/22/28/1066892228.db2.gz FGDYLORCKBETKL-WIYYLYMNSA-N 0 0 456.484 4.731 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC1CC1 ZINC001492721134 1066892265 /nfs/dbraw/zinc/89/22/65/1066892265.db2.gz MUBIZOWJRCRMTL-UHFFFAOYSA-N 0 0 463.413 4.513 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC001448028964 1066892195 /nfs/dbraw/zinc/89/21/95/1066892195.db2.gz OMXFLWUTHSRCSN-PXDATVDWSA-N 0 0 456.970 4.954 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)CNC(=O)c2ccc(F)cc2F)c2cccc(Cl)c2)cc1 ZINC001546002240 1066892224 /nfs/dbraw/zinc/89/22/24/1066892224.db2.gz DLVQSQGEKCVUQT-HSZRJFAPSA-N 0 0 458.892 4.653 20 0 JJADRN O=C(N1CCO[C@@H](c2ccc(F)cc2F)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001448028200 1066892259 /nfs/dbraw/zinc/89/22/59/1066892259.db2.gz YHOHXDPCKISQEE-IRLDBZIGSA-N 0 0 455.423 4.533 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC001457663432 1066892724 /nfs/dbraw/zinc/89/27/24/1066892724.db2.gz WUWNBYFMWQCQQJ-UHFFFAOYSA-N 0 0 453.239 4.895 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1CCCCCCC1 ZINC001492721311 1066892668 /nfs/dbraw/zinc/89/26/68/1066892668.db2.gz ULRXTRBLOFMBSV-UHFFFAOYSA-N 0 0 457.420 4.877 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492721320 1066892749 /nfs/dbraw/zinc/89/27/49/1066892749.db2.gz USOVJBOEORWEHD-KBPBESRZSA-N 0 0 475.410 4.870 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1)C(=O)OC(C)(C)C ZINC001457665454 1066893321 /nfs/dbraw/zinc/89/33/21/1066893321.db2.gz OSMNPKRBGRTHFL-JQVVWYNYSA-N 0 0 456.608 4.777 20 0 JJADRN Cc1[nH]nc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c1-c1cccc(Cl)c1 ZINC001457665307 1066893364 /nfs/dbraw/zinc/89/33/64/1066893364.db2.gz QSDGFKZBDCHWRC-UHFFFAOYSA-N 0 0 452.363 4.885 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001492722541 1066893783 /nfs/dbraw/zinc/89/37/83/1066893783.db2.gz GLFMVUYFSJWJGH-AWEZNQCLSA-N 0 0 463.076 4.564 20 0 JJADRN CC(C)(C)C1CCC(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC001457666615 1066893880 /nfs/dbraw/zinc/89/38/80/1066893880.db2.gz LHJPZAREQJNJGD-UHFFFAOYSA-N 0 0 451.405 4.533 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nccs1 ZINC001492722883 1066894308 /nfs/dbraw/zinc/89/43/08/1066894308.db2.gz SXTALRWRXBIANZ-UHFFFAOYSA-N 0 0 479.654 4.646 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C1 ZINC001457671008 1066894420 /nfs/dbraw/zinc/89/44/20/1066894420.db2.gz TUOUABVGQNVQPV-DOTOQJQBSA-N 0 0 454.564 4.831 20 0 JJADRN C[C@H](NC(=O)c1ccnn1CC(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457670356 1066894427 /nfs/dbraw/zinc/89/44/27/1066894427.db2.gz UTVLHJQNXICISZ-JTQLQIEISA-N 0 0 459.291 4.822 20 0 JJADRN CCOC(=O)N(C)CCCC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671263 1066894792 /nfs/dbraw/zinc/89/47/92/1066894792.db2.gz ZHGYBKMTOPCNFX-CYBMUJFWSA-N 0 0 454.390 4.618 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1cccc(Cl)c1 ZINC001457671681 1066894879 /nfs/dbraw/zinc/89/48/79/1066894879.db2.gz PLHPLXSXJNXODK-HYBUGGRVSA-N 0 0 450.966 4.849 20 0 JJADRN COc1ccc(-n2cc(CNC(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)nn2)cc1 ZINC001457671139 1066894887 /nfs/dbraw/zinc/89/48/87/1066894887.db2.gz YXBGOOSTZRHVDJ-UHFFFAOYSA-N 0 0 457.534 4.691 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2scnc2C)n(C)n1 ZINC001492724342 1066894980 /nfs/dbraw/zinc/89/49/80/1066894980.db2.gz ALMKGCGTQJVVOB-UHFFFAOYSA-N 0 0 486.443 4.508 20 0 JJADRN Cc1ccc(/C=C/c2cc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c3cc(Br)ccc3n2)o1 ZINC001457672897 1066895451 /nfs/dbraw/zinc/89/54/51/1066895451.db2.gz PSXYFUQQIGERMU-FJVHFBRSSA-N 0 0 453.336 4.736 20 0 JJADRN NC(=O)C[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1Cl ZINC001457677879 1066895486 /nfs/dbraw/zinc/89/54/86/1066895486.db2.gz IYOXJZBRZLQVND-FQEVSTJZSA-N 0 0 453.329 4.679 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OC(=O)c2cncc(OCC(F)F)c2)cc1 ZINC001457674858 1066895497 /nfs/dbraw/zinc/89/54/97/1066895497.db2.gz GFCHSVZHUUIJNT-UHFFFAOYSA-N 0 0 450.445 4.809 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2C[C@@H](C)CC[C@H]2C)n(C)n1 ZINC001492725757 1066895874 /nfs/dbraw/zinc/89/58/74/1066895874.db2.gz SEZWNHOBZMXCPP-FXAWDEMLSA-N 0 0 471.049 4.967 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c(Br)cc1OC ZINC001457680592 1066895876 /nfs/dbraw/zinc/89/58/76/1066895876.db2.gz BVNDIZODOIYPQZ-UHFFFAOYSA-N 0 0 456.764 4.765 20 0 JJADRN O=C(Nc1nc(-c2ccccc2)c(Br)s1)C(=O)c1cnn(-c2ccccc2)c1 ZINC001457683859 1066896547 /nfs/dbraw/zinc/89/65/47/1066896547.db2.gz IEZMKEJTWRLXHD-UHFFFAOYSA-N 0 0 453.321 4.580 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001448072637 1066896965 /nfs/dbraw/zinc/89/69/65/1066896965.db2.gz IQQQFTDZODTPAS-SFHVURJKSA-N 0 0 454.995 4.903 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(COc4ccc(C)c(C)c4)nnc3N(C)CCC(F)F)cn2)n1 ZINC001492727767 1066896979 /nfs/dbraw/zinc/89/69/79/1066896979.db2.gz GYTUAVNYVHHDAY-UHFFFAOYSA-N 0 0 495.578 4.811 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001492727702 1066897082 /nfs/dbraw/zinc/89/70/82/1066897082.db2.gz DJUZHQORJZNKKT-JOCHJYFZSA-N 0 0 491.684 4.631 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3sc(CC)nc3C)ccc2C)cc1 ZINC001448073965 1066897626 /nfs/dbraw/zinc/89/76/26/1066897626.db2.gz PZAMVEBBBRXNSN-UHFFFAOYSA-N 0 0 459.593 4.774 20 0 JJADRN O=C(Nc1cccc2ccncc21)c1ccc(I)c(Br)c1 ZINC001457686850 1066897817 /nfs/dbraw/zinc/89/78/17/1066897817.db2.gz LPEIGRHPAMHXCV-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC001448079226 1066898079 /nfs/dbraw/zinc/89/80/79/1066898079.db2.gz CVHKJSBZVUWJTQ-UHFFFAOYSA-N 0 0 456.999 4.736 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC001448078818 1066898280 /nfs/dbraw/zinc/89/82/80/1066898280.db2.gz RRJWGQNVDQOWJC-VXKWHMMOSA-N 0 0 454.567 4.746 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001492728395 1066898114 /nfs/dbraw/zinc/89/81/14/1066898114.db2.gz CFZXSPVYJUGJFD-UHFFFAOYSA-N 0 0 450.631 4.580 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccc(Cl)cc3)C2)n1 ZINC001492728674 1066898148 /nfs/dbraw/zinc/89/81/48/1066898148.db2.gz JADHXGWXHMJXMA-JXFKEZNVSA-N 0 0 472.037 4.746 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)Cc3csc(-c4sccc4Br)n3)n[nH]2)o1 ZINC001457689658 1066898269 /nfs/dbraw/zinc/89/82/69/1066898269.db2.gz OSVLRCMATWJWEL-UHFFFAOYSA-N 0 0 450.343 4.502 20 0 JJADRN Cc1c(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nnn1-c1ccccc1Cl ZINC001457694132 1066898948 /nfs/dbraw/zinc/89/89/48/1066898948.db2.gz UIWURQSKNQVRPF-UHFFFAOYSA-N 0 0 455.946 4.549 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)nc2c1 ZINC001448106262 1066900053 /nfs/dbraw/zinc/90/00/53/1066900053.db2.gz RNIUPZCFOSXGCK-LLVKDONJSA-N 0 0 458.305 4.952 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N(C)Cc3cccc(N(C)C)c3)cc2Br)on1 ZINC001457702839 1066899981 /nfs/dbraw/zinc/89/99/81/1066899981.db2.gz DRNWCGVGGWBQIO-UHFFFAOYSA-N 0 0 458.356 4.663 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCC[C@@](CC)(CO)C1 ZINC001448107171 1066900107 /nfs/dbraw/zinc/90/01/07/1066900107.db2.gz GPXUGTBIPFPVSC-OAQYLSRUSA-N 0 0 457.562 4.958 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC(C)(C)C)C2)n1 ZINC001492729889 1066900405 /nfs/dbraw/zinc/90/04/05/1066900405.db2.gz MJIIIQIDACLKJP-GOSISDBHSA-N 0 0 490.450 4.506 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)N1CCC(Cc2ccccc2)CC1 ZINC001457704971 1066900305 /nfs/dbraw/zinc/90/03/05/1066900305.db2.gz VDVRYRPQGJQFCO-HNNXBMFYSA-N 0 0 458.356 4.979 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCCC(C)(C)C)C2)n1 ZINC001492730055 1066900459 /nfs/dbraw/zinc/90/04/59/1066900459.db2.gz OVUIEPODIKFDDD-GOSISDBHSA-N 0 0 489.466 4.912 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448107756 1066900481 /nfs/dbraw/zinc/90/04/81/1066900481.db2.gz CJPQKQIGZVZWSK-HTAPYJJXSA-N 0 0 454.954 4.787 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCC[C@@](C)(O)c2ccccc2)cc1 ZINC001448108341 1066900543 /nfs/dbraw/zinc/90/05/43/1066900543.db2.gz FBPWOUWWHMOPDY-MUUNZHRXSA-N 0 0 455.558 4.504 20 0 JJADRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448107758 1066900561 /nfs/dbraw/zinc/90/05/61/1066900561.db2.gz CJPQKQIGZVZWSK-JTSKRJEESA-N 0 0 454.954 4.787 20 0 JJADRN COCCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CCCCC1 ZINC001448109567 1066900762 /nfs/dbraw/zinc/90/07/62/1066900762.db2.gz BAFZXIOMGCHSEX-UHFFFAOYSA-N 0 0 458.624 4.821 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)c3cnc(-c4ccccc4Br)s3)nc2c1 ZINC001448114430 1066900930 /nfs/dbraw/zinc/90/09/30/1066900930.db2.gz HKDRTFNUNJJWGT-LLVKDONJSA-N 0 0 457.353 4.949 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)n1 ZINC001492730887 1066901069 /nfs/dbraw/zinc/90/10/69/1066901069.db2.gz GCBPAGHAIXZDEX-NRFANRHFSA-N 0 0 475.563 4.788 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730692 1066901081 /nfs/dbraw/zinc/90/10/81/1066901081.db2.gz BHWANNYOJRVJRE-QFIPXVFZSA-N 0 0 465.646 4.632 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)C2)n1 ZINC001492730878 1066901118 /nfs/dbraw/zinc/90/11/18/1066901118.db2.gz GBEQSURGLNAKLU-FQEVSTJZSA-N 0 0 469.609 4.872 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC(F)(F)Br)C2)n1 ZINC001492730654 1066901183 /nfs/dbraw/zinc/90/11/83/1066901183.db2.gz AOTUDKYCFYQFCJ-KRWDZBQOSA-N 0 0 497.363 4.651 20 0 JJADRN COCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC001457711636 1066902031 /nfs/dbraw/zinc/90/20/31/1066902031.db2.gz NFXFGDXPPFHYFK-INIZCTEOSA-N 0 0 450.988 4.610 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)nn1-c1ccc(Br)cc1 ZINC001457711599 1066902081 /nfs/dbraw/zinc/90/20/81/1066902081.db2.gz MGMPOYKDEBSUEZ-CYBMUJFWSA-N 0 0 455.381 4.914 20 0 JJADRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ncc(Br)cc1Br ZINC001457714228 1066902586 /nfs/dbraw/zinc/90/25/86/1066902586.db2.gz TZAWTHROAFTMLX-SECBINFHSA-N 0 0 455.175 4.577 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492731499 1066902910 /nfs/dbraw/zinc/90/29/10/1066902910.db2.gz BLSGIROJDLCKOC-FQEVSTJZSA-N 0 0 481.645 4.640 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)n1 ZINC001492731739 1066902948 /nfs/dbraw/zinc/90/29/48/1066902948.db2.gz WIFXWXRQHPYXIA-FQEVSTJZSA-N 0 0 490.578 4.573 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1)C(F)(F)F ZINC001457714992 1066903223 /nfs/dbraw/zinc/90/32/23/1066903223.db2.gz CQSYHYDUTCWJSZ-ZHRRBRCNSA-N 0 0 450.505 4.523 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2Cc2sccc2C)n1 ZINC001492731852 1066903346 /nfs/dbraw/zinc/90/33/46/1066903346.db2.gz DOHYZLFSSPLOOK-LJQANCHMSA-N 0 0 464.639 4.721 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCOCCC(C)C)C2)n1 ZINC001492731770 1066903423 /nfs/dbraw/zinc/90/34/23/1066903423.db2.gz WUHYDPKYKDIMDY-XMMPIXPASA-N 0 0 468.621 4.726 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001492732125 1066904168 /nfs/dbraw/zinc/90/41/68/1066904168.db2.gz JMPJGBHCSVVPIN-ZAVFKARLSA-N 0 0 468.671 4.511 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC001457721504 1066904389 /nfs/dbraw/zinc/90/43/89/1066904389.db2.gz CZDSPOBWCMNEQG-CWVNLOTRSA-N 0 0 455.357 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC001448138189 1066904359 /nfs/dbraw/zinc/90/43/59/1066904359.db2.gz UGMPLMGAEHKGCW-DJJJIMSYSA-N 0 0 455.368 4.803 20 0 JJADRN O=Cc1cn(CC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)nc1-c1ccccc1 ZINC001448138030 1066904418 /nfs/dbraw/zinc/90/44/18/1066904418.db2.gz SVBSVDSGHXVFSU-OAQYLSRUSA-N 0 0 456.315 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC001448138192 1066904488 /nfs/dbraw/zinc/90/44/88/1066904488.db2.gz UGMPLMGAEHKGCW-ORAYPTAESA-N 0 0 455.368 4.803 20 0 JJADRN COc1cc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)ccc1OCc1ccccc1 ZINC001448151174 1066904851 /nfs/dbraw/zinc/90/48/51/1066904851.db2.gz CRTQNYRCFNBKDP-UHFFFAOYSA-N 0 0 453.485 4.676 20 0 JJADRN COC(=O)c1cccc(CNC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)c1 ZINC001457725718 1066905194 /nfs/dbraw/zinc/90/51/94/1066905194.db2.gz PURIFONRDOQKGS-UHFFFAOYSA-N 0 0 453.542 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001448157717 1066905355 /nfs/dbraw/zinc/90/53/55/1066905355.db2.gz NIMQVLCJSYIVEQ-QGZVFWFLSA-N 0 0 458.496 4.638 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)n1 ZINC001492732463 1066905259 /nfs/dbraw/zinc/90/52/59/1066905259.db2.gz PAZSNHPRYKPJLS-LFAGZIFBSA-N 0 0 468.621 4.927 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001546003140 1066905723 /nfs/dbraw/zinc/90/57/23/1066905723.db2.gz DRRGQPMJBYKDJK-FQEVSTJZSA-N 0 0 489.624 4.685 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)cc1 ZINC001457731148 1066906022 /nfs/dbraw/zinc/90/60/22/1066906022.db2.gz KXKUPYNOORCKFM-QUGAMOGWSA-N 0 0 458.514 4.835 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N3CCC(Cc4ccc(F)c(F)c4)CC3)n2)cc1 ZINC001448167664 1066906245 /nfs/dbraw/zinc/90/62/45/1066906245.db2.gz YSERUUMCPZEQRR-UHFFFAOYSA-N 0 0 455.505 4.827 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2Cc2ccc(OC(F)F)c(F)c2)n1 ZINC001492733123 1066906460 /nfs/dbraw/zinc/90/64/60/1066906460.db2.gz CHADLYMPCIFIJW-UHFFFAOYSA-N 0 0 476.547 4.943 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 ZINC001457734124 1066906546 /nfs/dbraw/zinc/90/65/46/1066906546.db2.gz HFPJQRSRMIAXTN-QHCPKHFHSA-N 0 0 456.970 4.923 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001546003279 1066906995 /nfs/dbraw/zinc/90/69/95/1066906995.db2.gz GNNCEPMCUKYVTC-HXUWFJFHSA-N 0 0 485.654 4.879 20 0 JJADRN CCOC(=O)c1cnc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)c(Cl)c1 ZINC001457737977 1066907086 /nfs/dbraw/zinc/90/70/86/1066907086.db2.gz DNLDIXCVPITEJM-HNNXBMFYSA-N 0 0 450.922 4.832 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492733620 1066907444 /nfs/dbraw/zinc/90/74/44/1066907444.db2.gz OLKBUQAITOCEOR-VQIMIIECSA-N 0 0 455.676 4.957 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(I)cc1Cl ZINC001448183779 1066907473 /nfs/dbraw/zinc/90/74/73/1066907473.db2.gz CQXBPULQKFEDOS-NSHDSACASA-N 0 0 459.686 4.609 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)c(O)c1 ZINC001448184977 1066907629 /nfs/dbraw/zinc/90/76/29/1066907629.db2.gz CLJPHBFCUAVGGW-UHFFFAOYSA-N 0 0 454.445 4.653 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CSC3(C)C)c2)cc1Cl ZINC001448183259 1066907677 /nfs/dbraw/zinc/90/76/77/1066907677.db2.gz BNFOCDJSIJZVIH-KRWDZBQOSA-N 0 0 459.420 4.726 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001457738470 1066907610 /nfs/dbraw/zinc/90/76/10/1066907610.db2.gz AFIYFQMNDRQFOB-LLVKDONJSA-N 0 0 457.258 4.849 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)n1 ZINC001492734204 1066907794 /nfs/dbraw/zinc/90/77/94/1066907794.db2.gz FSYVBVWHXVVYMB-QGZVFWFLSA-N 0 0 483.542 4.842 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)n1 ZINC001492734508 1066907868 /nfs/dbraw/zinc/90/78/68/1066907868.db2.gz PNVHDWZLTGERAE-GOSISDBHSA-N 0 0 461.614 4.713 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)n1 ZINC001492734806 1066907894 /nfs/dbraw/zinc/90/78/94/1066907894.db2.gz ZJQHBWAEAGCJHS-UHFFFAOYSA-N 0 0 464.536 4.611 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCSc2ccccc2)n1 ZINC001492734830 1066907917 /nfs/dbraw/zinc/90/79/17/1066907917.db2.gz ABNXGQSTCIPTEW-KRWDZBQOSA-N 0 0 467.668 4.628 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)c1 ZINC001457740193 1066908224 /nfs/dbraw/zinc/90/82/24/1066908224.db2.gz KXWIOPQWXOECNQ-UHFFFAOYSA-N 0 0 453.676 4.527 20 0 JJADRN COc1ccccc1C(=O)NCC(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001448189467 1066908166 /nfs/dbraw/zinc/90/81/66/1066908166.db2.gz ZXQURLWQVWXCQR-UHFFFAOYSA-N 0 0 459.329 4.841 20 0 JJADRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001448192584 1066908418 /nfs/dbraw/zinc/90/84/18/1066908418.db2.gz OWFBNXDZDUHLEC-UHFFFAOYSA-N 0 0 459.237 4.983 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCOc2ccccc2Cl)n1 ZINC001492735072 1066908578 /nfs/dbraw/zinc/90/85/78/1066908578.db2.gz JBYZLBHIQIZRAC-MRXNPFEDSA-N 0 0 486.045 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492735144 1066908704 /nfs/dbraw/zinc/90/87/04/1066908704.db2.gz LRYDZHVRKASKPJ-OXQOHEQNSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2Cc2ccc(Cl)nc2)n1 ZINC001492735573 1066908970 /nfs/dbraw/zinc/90/89/70/1066908970.db2.gz BGPGOKQQMILDSY-UHFFFAOYSA-N 0 0 474.371 4.665 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@]2(C)CCCS2)n1 ZINC001492735340 1066908981 /nfs/dbraw/zinc/90/89/81/1066908981.db2.gz SBQIWFJOIFTKET-FQEVSTJZSA-N 0 0 495.516 4.886 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CCc2cccs2)n1 ZINC001492735579 1066909066 /nfs/dbraw/zinc/90/90/66/1066909066.db2.gz BLKMEZBGGWYTFF-UHFFFAOYSA-N 0 0 472.565 4.682 20 0 JJADRN C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743103 1066909086 /nfs/dbraw/zinc/90/90/86/1066909086.db2.gz RMMDVNNUHTXRPT-VSRDTVRMSA-N 0 0 450.554 4.744 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC(C)(C)c2cccs2)n1 ZINC001492735779 1066909338 /nfs/dbraw/zinc/90/93/38/1066909338.db2.gz JEHDFRHXPGKMRX-UUWRZZSWSA-N 0 0 496.706 4.553 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2CCCc2ccccc2F)n1 ZINC001492735780 1066909392 /nfs/dbraw/zinc/90/93/92/1066909392.db2.gz JERHBNKOIOTKDC-UHFFFAOYSA-N 0 0 452.603 4.918 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC001448199955 1066909375 /nfs/dbraw/zinc/90/93/75/1066909375.db2.gz RTZZTULIPQBDTC-HOTGVXAUSA-N 0 0 453.421 4.879 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Br)c3)c12 ZINC001457747083 1066909723 /nfs/dbraw/zinc/90/97/23/1066909723.db2.gz HOVDEUZZQCSNPP-HXUWFJFHSA-N 0 0 453.315 4.996 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC001457747216 1066909770 /nfs/dbraw/zinc/90/97/70/1066909770.db2.gz MDSYLYACGGAXTE-GASCZTMLSA-N 0 0 450.457 4.848 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccoc1C)NC(=O)OC(C)(C)C ZINC001546003628 1066909945 /nfs/dbraw/zinc/90/99/45/1066909945.db2.gz MTTBVYZNVJRFPI-IBGZPJMESA-N 0 0 459.616 4.772 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001546003548 1066909957 /nfs/dbraw/zinc/90/99/57/1066909957.db2.gz LFOYWDWMFMNDRK-AWEZNQCLSA-N 0 0 499.500 4.855 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccccc1F ZINC001546003681 1066910300 /nfs/dbraw/zinc/91/03/00/1066910300.db2.gz NYTSBSHBHUJHCW-UXHICEINSA-N 0 0 458.603 4.790 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001457747552 1066910365 /nfs/dbraw/zinc/91/03/65/1066910365.db2.gz XYYXMYNGVFLUAN-INIZCTEOSA-N 0 0 458.436 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)CCCCCc3ccc(O)cc3)cn2)CC1 ZINC001457750151 1066910574 /nfs/dbraw/zinc/91/05/74/1066910574.db2.gz YECODVOHRWXQDV-UHFFFAOYSA-N 0 0 456.587 4.902 20 0 JJADRN CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001457750655 1066910600 /nfs/dbraw/zinc/91/06/00/1066910600.db2.gz QWNXWSVXRLYLNB-CYBMUJFWSA-N 0 0 456.167 4.767 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CCO1 ZINC001546093683 1066910639 /nfs/dbraw/zinc/91/06/39/1066910639.db2.gz RMMKSHBEARXHGT-VWLOTQADSA-N 0 0 454.619 4.519 20 0 JJADRN COC(COCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)OC ZINC001457751529 1066911074 /nfs/dbraw/zinc/91/10/74/1066911074.db2.gz GSIXQDPBMFRSFX-UHFFFAOYSA-N 0 0 456.542 4.934 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2Cc2csc(C)c2)n1 ZINC001492736252 1066911153 /nfs/dbraw/zinc/91/11/53/1066911153.db2.gz ZEMSLWPIQRLXCK-UHFFFAOYSA-N 0 0 458.994 4.987 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001546003809 1066911307 /nfs/dbraw/zinc/91/13/07/1066911307.db2.gz QOKCKIBOENAFIH-LPHOPBHVSA-N 0 0 484.519 4.695 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCOC2CCCCC2)n1 ZINC001492736431 1066911488 /nfs/dbraw/zinc/91/14/88/1066911488.db2.gz GIYOJECMLABVPN-UHFFFAOYSA-N 0 0 454.594 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2Cc2ccncc2Cl)n1 ZINC001492736709 1066911545 /nfs/dbraw/zinc/91/15/45/1066911545.db2.gz PZXOOYFVRDJBSW-UHFFFAOYSA-N 0 0 456.381 4.526 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Br)n2C[C@@H]2CCC(F)(F)C2)n1 ZINC001492736647 1066911623 /nfs/dbraw/zinc/91/16/23/1066911623.db2.gz NKYBKXCBBRPOKE-QGZVFWFLSA-N 0 0 493.400 4.974 20 0 JJADRN CO[C@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C1 ZINC001448229547 1066911630 /nfs/dbraw/zinc/91/16/30/1066911630.db2.gz MMBYOXRAMIJTJB-PMACEKPBSA-N 0 0 450.579 4.721 20 0 JJADRN CO[C@@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C1 ZINC001448229554 1066911653 /nfs/dbraw/zinc/91/16/53/1066911653.db2.gz MMBYOXRAMIJTJB-WOJBJXKFSA-N 0 0 450.579 4.721 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(OC)C1)Oc1cccc(F)c1 ZINC001546003901 1066911736 /nfs/dbraw/zinc/91/17/36/1066911736.db2.gz SATHJOWNVRARAL-HYBUGGRVSA-N 0 0 473.618 4.636 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2Cc2ccccc2OCC(C)C)n1 ZINC001492736792 1066912010 /nfs/dbraw/zinc/91/20/10/1066912010.db2.gz SXLCBAAMADBXTQ-UHFFFAOYSA-N 0 0 464.639 4.921 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCc2ccccc2Cl)n1 ZINC001492737132 1066912412 /nfs/dbraw/zinc/91/24/12/1066912412.db2.gz GQKNPDFBUJXMSY-UHFFFAOYSA-N 0 0 479.032 4.586 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 ZINC001448233391 1066912565 /nfs/dbraw/zinc/91/25/65/1066912565.db2.gz AAFLOISVGZCZQQ-VQIMIIECSA-N 0 0 459.384 4.644 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC001448235404 1066912736 /nfs/dbraw/zinc/91/27/36/1066912736.db2.gz NBFHCACDBGUSOD-RTBURBONSA-N 0 0 451.304 4.534 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)c1ccc(Cl)nc1C(F)(F)F ZINC001457754452 1066912679 /nfs/dbraw/zinc/91/26/79/1066912679.db2.gz ZQFUOUNNGMESNR-UHFFFAOYSA-N 0 0 459.447 4.926 20 0 JJADRN O=C(N[C@H]1COc2c1cccc2Cl)c1c(F)ccc(I)c1Cl ZINC001457756416 1066912760 /nfs/dbraw/zinc/91/27/60/1066912760.db2.gz VJXONLUQFRSBKN-NSHDSACASA-N 0 0 452.050 4.601 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)c1 ZINC001457757292 1066912846 /nfs/dbraw/zinc/91/28/46/1066912846.db2.gz BPOIYSCIVCKUHZ-VBKFSLOCSA-N 0 0 453.457 4.933 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4ccc(Br)cc4c3)C2)cc1C ZINC001448236666 1066913168 /nfs/dbraw/zinc/91/31/68/1066913168.db2.gz IXWOSEWXLJKMFD-HXUWFJFHSA-N 0 0 453.336 4.842 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc4ccc(Br)cc4c3)C2)cc1C ZINC001448236662 1066913216 /nfs/dbraw/zinc/91/32/16/1066913216.db2.gz IXWOSEWXLJKMFD-FQEVSTJZSA-N 0 0 453.336 4.842 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001457758986 1066913182 /nfs/dbraw/zinc/91/31/82/1066913182.db2.gz CQDUWDDXOIYMSU-LOSJGSFVSA-N 0 0 458.558 4.701 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)cc(OC)c(OC)c1OC ZINC001457760011 1066913209 /nfs/dbraw/zinc/91/32/09/1066913209.db2.gz DHDOPNGNAWVAEM-LBPRGKRZSA-N 0 0 455.429 4.807 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492737954 1066913218 /nfs/dbraw/zinc/91/32/18/1066913218.db2.gz ITGIKFFWGXCWAD-UHFFFAOYSA-N 0 0 490.578 4.682 20 0 JJADRN COC(CCCC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)OC ZINC001457759458 1066913441 /nfs/dbraw/zinc/91/34/41/1066913441.db2.gz FHBUKTCAPNZBMA-NRFANRHFSA-N 0 0 454.611 4.624 20 0 JJADRN C[C@H](CC(=O)Nc1ncc(C2(O)CCCCC2)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457762075 1066913527 /nfs/dbraw/zinc/91/35/27/1066913527.db2.gz NZLRRAJYBNLRPN-SJORKVTESA-N 0 0 451.633 4.907 20 0 JJADRN COC(=O)c1cnc(N(C)C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)s1 ZINC001457762349 1066913591 /nfs/dbraw/zinc/91/35/91/1066913591.db2.gz ISLBNYCYBCHSKB-UHFFFAOYSA-N 0 0 452.923 4.712 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(CC)cc3)o2)cc(OC)c(OC)c1OC ZINC001457762415 1066913641 /nfs/dbraw/zinc/91/36/41/1066913641.db2.gz IXELIIRSJBRXOJ-UHFFFAOYSA-N 0 0 453.491 4.964 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](C)Oc2cccc(CO)c2)c(Br)c1 ZINC001448237777 1066913528 /nfs/dbraw/zinc/91/35/28/1066913528.db2.gz BQUVVEFNFOEPSK-KRWDZBQOSA-N 0 0 458.352 4.839 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccn3)n2Cc2ccccc2C(F)(F)F)n1 ZINC001492739304 1066913961 /nfs/dbraw/zinc/91/39/61/1066913961.db2.gz DCQVOTHYHBYJLM-UHFFFAOYSA-N 0 0 483.542 4.671 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCOc3ccccc3C)n2C[C@H]2CCC(F)(F)C2)n1 ZINC001492739392 1066914089 /nfs/dbraw/zinc/91/40/89/1066914089.db2.gz HOBDUEIGFMGAEI-NRFANRHFSA-N 0 0 472.584 4.789 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)OC3CCCC3)n2CCSCc2ccccc2F)n1 ZINC001492739900 1066914426 /nfs/dbraw/zinc/91/44/26/1066914426.db2.gz ACRSPIQDVHDSLD-UHFFFAOYSA-N 0 0 458.607 4.523 20 0 JJADRN CCc1c(C(=O)N(C)CCCOCc2ccccc2)cnn1-c1ccc(Br)cc1 ZINC001448244686 1066914586 /nfs/dbraw/zinc/91/45/86/1066914586.db2.gz IDOHLKWUDVEEQR-UHFFFAOYSA-N 0 0 456.384 4.876 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)cc(C)c1Cl ZINC001448240427 1066914595 /nfs/dbraw/zinc/91/45/95/1066914595.db2.gz CWFBPHAQZAVQIH-IBGZPJMESA-N 0 0 457.958 4.987 20 0 JJADRN CCn1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457768322 1066914702 /nfs/dbraw/zinc/91/47/02/1066914702.db2.gz HIVUCDSDOWAICT-UHFFFAOYSA-N 0 0 451.832 4.818 20 0 JJADRN Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c1NC(=O)c1ccccc1F ZINC001457768137 1066914771 /nfs/dbraw/zinc/91/47/71/1066914771.db2.gz IECHSHZGVWOMNS-SFHVURJKSA-N 0 0 451.567 4.967 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)C2)cc1 ZINC001448246645 1066914810 /nfs/dbraw/zinc/91/48/10/1066914810.db2.gz XKLFKXRISAJIQT-FQEVSTJZSA-N 0 0 451.548 4.529 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492740043 1066914814 /nfs/dbraw/zinc/91/48/14/1066914814.db2.gz GHAYCZBZSYYBLS-LJQANCHMSA-N 0 0 476.547 4.620 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)C2)cc1C ZINC001448245430 1066914825 /nfs/dbraw/zinc/91/48/25/1066914825.db2.gz VRWCDSFBCZDEJV-DEOSSOPVSA-N 0 0 458.514 4.922 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cnn3c2C[C@@H](C)CC3)c1 ZINC001457768281 1066914844 /nfs/dbraw/zinc/91/48/44/1066914844.db2.gz ZLVBMYSCGRWPHJ-ZDUSSCGKSA-N 0 0 456.955 4.704 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492740042 1066914882 /nfs/dbraw/zinc/91/48/82/1066914882.db2.gz GHAYCZBZSYYBLS-IBGZPJMESA-N 0 0 476.547 4.620 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001448245207 1066914855 /nfs/dbraw/zinc/91/48/55/1066914855.db2.gz KDCYRSWSDJQQGT-UHFFFAOYSA-N 0 0 454.567 4.665 20 0 JJADRN C[C@@H]1CC(CCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C[C@@H](C)O1 ZINC001448245520 1066914935 /nfs/dbraw/zinc/91/49/35/1066914935.db2.gz JGIHGXDXNNVOTA-HZPDHXFCSA-N 0 0 451.633 4.581 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001546004053 1066915355 /nfs/dbraw/zinc/91/53/55/1066915355.db2.gz VLAQBXZPSXPKDT-LJQANCHMSA-N 0 0 463.573 4.809 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cnn(C)c3)Cc3ccc(Cl)cc3)n2CCC(C)C)n1 ZINC001492740312 1066915327 /nfs/dbraw/zinc/91/53/27/1066915327.db2.gz QGEWYSXNZCQBQU-UHFFFAOYSA-N 0 0 481.048 4.780 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001492740173 1066915455 /nfs/dbraw/zinc/91/54/55/1066915455.db2.gz KKODFUYYMHRTTP-HSZRJFAPSA-N 0 0 472.081 4.967 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492740516 1066915697 /nfs/dbraw/zinc/91/56/97/1066915697.db2.gz YJLJADWBYUKBOS-FXAWDEMLSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCO[C@@H]2CCCC[C@H]2C)n1 ZINC001492740733 1066916088 /nfs/dbraw/zinc/91/60/88/1066916088.db2.gz GJAHIFZPUAUSIU-AUSIDOKSSA-N 0 0 454.619 4.743 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc21 ZINC001448289508 1066916147 /nfs/dbraw/zinc/91/61/47/1066916147.db2.gz BUJXVRBVLCHANU-NRFANRHFSA-N 0 0 450.377 4.616 20 0 JJADRN CC(C)(C)c1ccc2[nH]c(C(=O)N3CCNC(=O)[C@H]3c3ccc(Br)cc3)cc2c1 ZINC001448280588 1066916200 /nfs/dbraw/zinc/91/62/00/1066916200.db2.gz OANXEFBCHSUEGB-HXUWFJFHSA-N 0 0 454.368 4.541 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC001457774137 1066916415 /nfs/dbraw/zinc/91/64/15/1066916415.db2.gz CXYFGPHPDFSMCL-HSZRJFAPSA-N 0 0 458.942 4.852 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492741059 1066916552 /nfs/dbraw/zinc/91/65/52/1066916552.db2.gz RCLCPXOGLUXJLR-UHFFFAOYSA-N 0 0 467.643 4.950 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492741550 1066917011 /nfs/dbraw/zinc/91/70/11/1066917011.db2.gz BVWWEUUYVYTOPV-BGYRXZFFSA-N 0 0 477.657 4.655 20 0 JJADRN N[C@](C(=O)N1CCC(c2cccc(Br)c2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC001457776727 1066917299 /nfs/dbraw/zinc/91/72/99/1066917299.db2.gz MTSCYSOVNHYBRQ-IBGZPJMESA-N 0 0 459.281 4.711 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)[C@@H](c2cccnc2)C1 ZINC001457776666 1066917421 /nfs/dbraw/zinc/91/74/21/1066917421.db2.gz MFEQHNKVYAERFI-OAQYLSRUSA-N 0 0 452.942 4.717 20 0 JJADRN N[C@@](C(=O)N1CCC(c2cccc(Br)c2)CC1)(c1cccc(F)c1)C(F)(F)F ZINC001457776730 1066917431 /nfs/dbraw/zinc/91/74/31/1066917431.db2.gz MTSCYSOVNHYBRQ-LJQANCHMSA-N 0 0 459.281 4.711 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492741574 1066917400 /nfs/dbraw/zinc/91/74/00/1066917400.db2.gz CGJMXFSETREDGI-IBGZPJMESA-N 0 0 492.672 4.590 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492741650 1066917418 /nfs/dbraw/zinc/91/74/18/1066917418.db2.gz DTZGNYBGSPCMFQ-IRXDYDNUSA-N 0 0 455.676 4.619 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC(C)(C)c2ccccc2F)n1 ZINC001492741713 1066917593 /nfs/dbraw/zinc/91/75/93/1066917593.db2.gz FYFBMPKOWKNYNK-RTBURBONSA-N 0 0 456.635 4.587 20 0 JJADRN CCn1c(SCC(=O)Nc2ccccc2OCC(F)F)nnc1-c1ccc(Cl)cc1 ZINC001457779462 1066917750 /nfs/dbraw/zinc/91/77/50/1066917750.db2.gz BRXDUGVDQAVJDI-UHFFFAOYSA-N 0 0 452.914 4.993 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001457778139 1066917928 /nfs/dbraw/zinc/91/79/28/1066917928.db2.gz GUPQAURQGHOSIE-KSSFIOAISA-N 0 0 454.514 4.549 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)Nc3nn(-c4ccc(Cl)cc4)cc3C)n2)c1 ZINC001448342847 1066918022 /nfs/dbraw/zinc/91/80/22/1066918022.db2.gz GARUCROKKINLIT-UHFFFAOYSA-N 0 0 455.927 4.624 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C2CCC(C(C)(C)O)CC2)cc1 ZINC001448348715 1066918140 /nfs/dbraw/zinc/91/81/40/1066918140.db2.gz FPXPROGFTXRYNM-VNXZQDSDSA-N 0 0 458.643 4.947 20 0 JJADRN CN(C)C(=O)Nc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC001448345119 1066918198 /nfs/dbraw/zinc/91/81/98/1066918198.db2.gz HUOWCSHSCFUBHK-UHFFFAOYSA-N 0 0 453.546 4.622 20 0 JJADRN C[C@@H](c1ccccc1)n1ccc(NC(=O)c2cc(Br)nc(Br)c2)n1 ZINC001457780365 1066918259 /nfs/dbraw/zinc/91/82/59/1066918259.db2.gz FNQCPUCXNITQCI-NSHDSACASA-N 0 0 450.134 4.665 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)C2)cc1 ZINC001448350406 1066918523 /nfs/dbraw/zinc/91/85/23/1066918523.db2.gz FHRDCZYRQCNVIQ-QGZVFWFLSA-N 0 0 455.530 4.984 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001448350609 1066918654 /nfs/dbraw/zinc/91/86/54/1066918654.db2.gz PHRFTCGWNUDEHX-UHFFFAOYSA-N 0 0 453.955 4.745 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC001457782570 1066918794 /nfs/dbraw/zinc/91/87/94/1066918794.db2.gz IICXCARTCAECMH-UHFFFAOYSA-N 0 0 451.482 4.582 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(c4ccc(O)cc4)CC3)n2CCSCC(C)C)n1 ZINC001492743694 1066919200 /nfs/dbraw/zinc/91/92/00/1066919200.db2.gz VBMZCRRVFAXPFO-UHFFFAOYSA-N 0 0 466.655 4.528 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H](C)c2ccc(F)cc2)n1 ZINC001492744097 1066919318 /nfs/dbraw/zinc/91/93/18/1066919318.db2.gz GUVVVMYOZMSPBN-OAHLLOKOSA-N 0 0 464.511 4.861 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492744020 1066919617 /nfs/dbraw/zinc/91/96/17/1066919617.db2.gz DXCMQYGQVHKYRU-PHZLKFDYSA-N 0 0 499.704 4.876 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(F)(F)CC2)cc1 ZINC001448360321 1066919842 /nfs/dbraw/zinc/91/98/42/1066919842.db2.gz VLWRIVGHULSDCH-UHFFFAOYSA-N 0 0 450.551 4.965 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001448359679 1066919861 /nfs/dbraw/zinc/91/98/61/1066919861.db2.gz NZAHEUKRJNIGSH-LJQANCHMSA-N 0 0 455.967 4.915 20 0 JJADRN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC001457788440 1066920163 /nfs/dbraw/zinc/92/01/63/1066920163.db2.gz ICDOWKOWKNPTSD-AWEZNQCLSA-N 0 0 450.445 4.762 20 0 JJADRN CC(C)(COCc1ccccc1)NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001448369627 1066920246 /nfs/dbraw/zinc/92/02/46/1066920246.db2.gz LQHGSNPRHHTUAY-OAQYLSRUSA-N 0 0 452.498 4.548 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492744623 1066920498 /nfs/dbraw/zinc/92/04/98/1066920498.db2.gz UMZWENRFFZIIMM-WOJBJXKFSA-N 0 0 464.658 4.985 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492744622 1066920591 /nfs/dbraw/zinc/92/05/91/1066920591.db2.gz UMZWENRFFZIIMM-VQTJNVASSA-N 0 0 464.658 4.985 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)Nc3cc(O)c(Br)cc3Br)c21 ZINC001457789367 1066920656 /nfs/dbraw/zinc/92/06/56/1066920656.db2.gz SRJVSBCIQYQVTI-UHFFFAOYSA-N 0 0 454.118 4.588 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546005352 1066920677 /nfs/dbraw/zinc/92/06/77/1066920677.db2.gz AKONOTVREANXQP-ZEQRLZLVSA-N 0 0 497.684 4.620 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC001457788851 1066920794 /nfs/dbraw/zinc/92/07/94/1066920794.db2.gz JYXWUYREFWAUJF-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCc2cc(Br)ccc2F)n1 ZINC001492745258 1066920921 /nfs/dbraw/zinc/92/09/21/1066920921.db2.gz KANHVLFLJZYBHA-JKSUJKDBSA-N 0 0 489.437 4.766 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@H]2C)n1 ZINC001492745393 1066920934 /nfs/dbraw/zinc/92/09/34/1066920934.db2.gz MWTLFCPCMMAZNG-DYESRHJHSA-N 0 0 482.595 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492745195 1066921031 /nfs/dbraw/zinc/92/10/31/1066921031.db2.gz JDCXSCJHCHMLBS-GOTSBHOMSA-N 0 0 499.704 4.659 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1C[C@]12CCc1ccccc12 ZINC001448385593 1066921559 /nfs/dbraw/zinc/92/15/59/1066921559.db2.gz DSKWRIICDXPBMP-GGPKGHCWSA-N 0 0 454.286 4.522 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cccc(OCc2cscn2)c1 ZINC001457790875 1066921816 /nfs/dbraw/zinc/92/18/16/1066921816.db2.gz NSKTWHHJGIWSJJ-QHCPKHFHSA-N 0 0 450.560 4.549 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCc2ccccc2Cl)n1 ZINC001492746099 1066921852 /nfs/dbraw/zinc/92/18/52/1066921852.db2.gz HSDYGBNSRSWGOZ-UHFFFAOYSA-N 0 0 465.816 4.935 20 0 JJADRN Cc1cccc(CC(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1Cl ZINC001448385598 1066922011 /nfs/dbraw/zinc/92/20/11/1066922011.db2.gz DSNSPSLPMIOEAI-OAHLLOKOSA-N 0 0 450.682 4.822 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CC[C@@](F)(c3ccccc3C)C2)[C@H]1c1ccc(OC)cc1 ZINC001448387865 1066922137 /nfs/dbraw/zinc/92/21/37/1066922137.db2.gz KKVXQTASMNEGKO-RWUBSVTLSA-N 0 0 452.570 4.791 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCCCC(F)(F)C2)n1 ZINC001492747151 1066922203 /nfs/dbraw/zinc/92/22/03/1066922203.db2.gz RKEKIRPQOLZIAO-HXUWFJFHSA-N 0 0 464.605 4.749 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Oc4ccc(F)cc4F)CC3)n2CCCC(F)(F)F)n1 ZINC001492747158 1066922238 /nfs/dbraw/zinc/92/22/38/1066922238.db2.gz RNVAZTJYUNPDQM-UHFFFAOYSA-N 0 0 498.500 4.808 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001448397837 1066922827 /nfs/dbraw/zinc/92/28/27/1066922827.db2.gz SXDXTGJRYNAQOQ-VBQJREDUSA-N 0 0 464.228 4.699 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001492748484 1066923102 /nfs/dbraw/zinc/92/31/02/1066923102.db2.gz GWUXOHJPTFUMGS-QGZVFWFLSA-N 0 0 468.474 4.688 20 0 JJADRN O=C(CCc1cccc(Cl)c1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448401714 1066923279 /nfs/dbraw/zinc/92/32/79/1066923279.db2.gz YFHNNRORZYHGCR-INIZCTEOSA-N 0 0 450.682 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2C[C@@H](F)c2ccc(Br)cc2)n1 ZINC001492749010 1066923445 /nfs/dbraw/zinc/92/34/45/1066923445.db2.gz SHGGLLMLPLUEAM-MGPUTAFESA-N 0 0 475.410 4.849 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2Cc2ccccc2OCC(F)(F)F)n1 ZINC001492748803 1066923484 /nfs/dbraw/zinc/92/34/84/1066923484.db2.gz OSSIYBPRZKQUIY-SFHVURJKSA-N 0 0 498.500 4.611 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546005566 1066923695 /nfs/dbraw/zinc/92/36/95/1066923695.db2.gz FBVDIMRNTXANFR-YADHBBJMSA-N 0 0 487.714 4.944 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492749105 1066923886 /nfs/dbraw/zinc/92/38/86/1066923886.db2.gz UFYMMECDGQFYBA-KRWDZBQOSA-N 0 0 477.629 4.618 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C)COCc2ccccc2)n1 ZINC001492749370 1066924299 /nfs/dbraw/zinc/92/42/99/1066924299.db2.gz ZLTVCOQWCXGLQA-OFVILXPXSA-N 0 0 464.658 4.865 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC001457805663 1066924454 /nfs/dbraw/zinc/92/44/54/1066924454.db2.gz SQPJUFXYIRLMHQ-GDBMZVCRSA-N 0 0 450.398 4.854 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC001457807010 1066924915 /nfs/dbraw/zinc/92/49/15/1066924915.db2.gz WMRVMHYXLKJMAW-SFHVURJKSA-N 0 0 456.384 4.944 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001448409860 1066924947 /nfs/dbraw/zinc/92/49/47/1066924947.db2.gz ZWHMNYPWZIHOGK-FQEVSTJZSA-N 0 0 450.579 4.993 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)c1cc[nH]c(=O)c1Br ZINC001457807025 1066924954 /nfs/dbraw/zinc/92/49/54/1066924954.db2.gz QBMGCMUBMUXYNV-UHFFFAOYSA-N 0 0 457.509 4.766 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492749941 1066924988 /nfs/dbraw/zinc/92/49/88/1066924988.db2.gz MTELIWSLBDAXEC-QFIPXVFZSA-N 0 0 495.672 4.544 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1)Cc1ccccc1 ZINC001448409687 1066925137 /nfs/dbraw/zinc/92/51/37/1066925137.db2.gz YJGRDNNMKPTTHX-HLIRBWCUSA-N 0 0 456.627 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC001448413726 1066925497 /nfs/dbraw/zinc/92/54/97/1066925497.db2.gz PGZFGXPXGDMPSY-UHFFFAOYSA-N 0 0 451.976 4.818 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492750487 1066925498 /nfs/dbraw/zinc/92/54/98/1066925498.db2.gz ZEJQDZYLGGEPSW-FIXSFTCYSA-N 0 0 486.705 4.765 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001546005933 1066925953 /nfs/dbraw/zinc/92/59/53/1066925953.db2.gz MBTJHNSJQGZLBO-FCHUYYIVSA-N 0 0 485.648 4.749 20 0 JJADRN C[C@@](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457809464 1066925850 /nfs/dbraw/zinc/92/58/50/1066925850.db2.gz YJPMSLJOOOZIRP-IBGZPJMESA-N 0 0 453.873 4.613 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCCCC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001492751128 1066925799 /nfs/dbraw/zinc/92/57/99/1066925799.db2.gz RWVLYFGGSBHSHR-JOCHJYFZSA-N 0 0 485.677 4.700 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCCCCC3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492750954 1066925845 /nfs/dbraw/zinc/92/58/45/1066925845.db2.gz NEBQZMILLIIDAY-UHFFFAOYSA-N 0 0 462.520 4.857 20 0 JJADRN C[C@@H](C(=O)NC[C@H](NCc1ccccc1)C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC001457812279 1066926173 /nfs/dbraw/zinc/92/61/73/1066926173.db2.gz GGNHVQJIWRKSIQ-JPYJTQIMSA-N 0 0 454.492 4.858 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)c(OC[C@@H]2CCCO2)c1 ZINC001457813983 1066926768 /nfs/dbraw/zinc/92/67/68/1066926768.db2.gz NOMQLPXESHTMQJ-WMZOPIPTSA-N 0 0 452.473 4.516 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CSc1cc(C)c(Br)cc1C)c1ccccc1 ZINC001457816581 1066927167 /nfs/dbraw/zinc/92/71/67/1066927167.db2.gz APEXXQYJAFERIE-SFHVURJKSA-N 0 0 450.398 4.969 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC001457818033 1066927534 /nfs/dbraw/zinc/92/75/34/1066927534.db2.gz XEODGSUIMAFLQH-NSHDSACASA-N 0 0 452.765 4.845 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC001457817760 1066927585 /nfs/dbraw/zinc/92/75/85/1066927585.db2.gz PEFDNLBJJUGXOT-FQEVSTJZSA-N 0 0 454.502 4.564 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492755633 1066927665 /nfs/dbraw/zinc/92/76/65/1066927665.db2.gz FPHPDLKQEXDJBA-QZTJIDSGSA-N 0 0 478.588 4.731 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448439747 1066927577 /nfs/dbraw/zinc/92/75/77/1066927577.db2.gz ZPUOFOMTCSZFHF-VUCTXSBTSA-N 0 0 464.912 4.592 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448437507 1066927587 /nfs/dbraw/zinc/92/75/87/1066927587.db2.gz XGHPIQKTQSMPAL-SFHVURJKSA-N 0 0 454.901 4.798 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC001457820107 1066927858 /nfs/dbraw/zinc/92/78/58/1066927858.db2.gz RWVVUOHQFULJIW-MNDPQUGUSA-N 0 0 454.567 4.761 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2CCCCC(F)(F)C2)n1 ZINC001492756335 1066927970 /nfs/dbraw/zinc/92/79/70/1066927970.db2.gz YEFWXNGQMPLQAS-UXHICEINSA-N 0 0 466.646 4.933 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC001457821803 1066928099 /nfs/dbraw/zinc/92/80/99/1066928099.db2.gz YZWIVNDMJILRFQ-UHFFFAOYSA-N 0 0 450.398 4.746 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC001457823134 1066928549 /nfs/dbraw/zinc/92/85/49/1066928549.db2.gz ZUGQSDSVBVXPAU-IBGZPJMESA-N 0 0 456.336 4.792 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)CCc3nc4cc(Br)ccc4s3)CCN2)cc1 ZINC001448448000 1066928562 /nfs/dbraw/zinc/92/85/62/1066928562.db2.gz ICJQRWXQKAMLNK-LJQANCHMSA-N 0 0 458.425 4.727 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccc(F)cc3)CC2)n1 ZINC001492757461 1066928821 /nfs/dbraw/zinc/92/88/21/1066928821.db2.gz GDPIIBQHBBRVCT-FQEVSTJZSA-N 0 0 468.621 4.912 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC3(F)F)C2)n1 ZINC001492757194 1066928890 /nfs/dbraw/zinc/92/88/90/1066928890.db2.gz CDHMQSDHYPFUKY-UXHICEINSA-N 0 0 463.621 4.817 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CO[C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC001448450969 1066928786 /nfs/dbraw/zinc/92/87/86/1066928786.db2.gz MWOKWXIBPDJTOQ-VXNXHJTFSA-N 0 0 450.579 4.600 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C)n3Cc3cc(Cl)ccc3OC(F)F)CC2)n1 ZINC001492757434 1066928936 /nfs/dbraw/zinc/92/89/36/1066928936.db2.gz FZNPYEOOAJUKNY-UHFFFAOYSA-N 0 0 464.948 4.620 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(F)cc3)CC2)n1 ZINC001492757462 1066928962 /nfs/dbraw/zinc/92/89/62/1066928962.db2.gz GDPIIBQHBBRVCT-HXUWFJFHSA-N 0 0 468.621 4.912 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC3(F)F)C2)n1 ZINC001492757193 1066929028 /nfs/dbraw/zinc/92/90/28/1066929028.db2.gz CDHMQSDHYPFUKY-PMACEKPBSA-N 0 0 463.621 4.817 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)NC[C@H](NCc3ccccc3)C(F)(F)F)cc21 ZINC001457825832 1066929043 /nfs/dbraw/zinc/92/90/43/1066929043.db2.gz LHZBBTVDTWPYRN-KRWDZBQOSA-N 0 0 454.290 4.689 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC(C)C)CC2)n1 ZINC001492757875 1066929262 /nfs/dbraw/zinc/92/92/62/1066929262.db2.gz PBDFYBZFVSMXEO-HXUWFJFHSA-N 0 0 454.594 4.943 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3c(F)cccc3F)C2)n1 ZINC001492757582 1066929441 /nfs/dbraw/zinc/92/94/41/1066929441.db2.gz HTCOTJQBPNMLMV-LJQANCHMSA-N 0 0 471.600 4.513 20 0 JJADRN CCN(C(=O)CCc1nc(-c2ncccn2)no1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457828913 1066929429 /nfs/dbraw/zinc/92/94/29/1066929429.db2.gz PSVAODGLGLIVLN-GOSISDBHSA-N 0 0 457.534 4.745 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ncc(Br)cc1Br ZINC001457827509 1066929501 /nfs/dbraw/zinc/92/95/01/1066929501.db2.gz FGGDMHLYWXGIGR-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(Cc4ccccc4C)n3CC(C)(C)C(C)C)C2)n1 ZINC001492758069 1066929768 /nfs/dbraw/zinc/92/97/68/1066929768.db2.gz UNXDRGSDBBYRIV-QHCPKHFHSA-N 0 0 463.674 4.984 20 0 JJADRN COC(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1 ZINC001457830157 1066929715 /nfs/dbraw/zinc/92/97/15/1066929715.db2.gz FOQXDTWINPXVEG-UHFFFAOYSA-N 0 0 455.873 4.840 20 0 JJADRN COCc1c(C(=O)NC[C@@](C)(O)c2ccccc2Br)sc2cccc(F)c21 ZINC001448459087 1066929775 /nfs/dbraw/zinc/92/97/75/1066929775.db2.gz PGCJBWKIJVGNNZ-HXUWFJFHSA-N 0 0 452.345 4.587 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NC[C@@](C)(O)c3ccccc3Br)cs2)cc1 ZINC001448458930 1066929881 /nfs/dbraw/zinc/92/98/81/1066929881.db2.gz OSYVCXOVVOHOED-JOCHJYFZSA-N 0 0 459.409 4.701 20 0 JJADRN COCc1c(C(=O)NC[C@](C)(O)c2ccccc2Br)sc2cccc(F)c21 ZINC001448459086 1066929910 /nfs/dbraw/zinc/92/99/10/1066929910.db2.gz PGCJBWKIJVGNNZ-FQEVSTJZSA-N 0 0 452.345 4.587 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC001492758316 1066930257 /nfs/dbraw/zinc/93/02/57/1066930257.db2.gz ZMXFIEXWNQPZRP-QFIPXVFZSA-N 0 0 499.704 4.705 20 0 JJADRN COc1ccc(C(C)(C)C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1OC ZINC001457832582 1066930291 /nfs/dbraw/zinc/93/02/91/1066930291.db2.gz MCXOLYXDDUUCPW-UHFFFAOYSA-N 0 0 450.510 4.689 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c2cccnc12 ZINC001457833074 1066930530 /nfs/dbraw/zinc/93/05/30/1066930530.db2.gz RUTOBYNKIXCRBY-UHFFFAOYSA-N 0 0 458.518 4.558 20 0 JJADRN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cccc(C)c1NC(=O)c1ccncc1 ZINC001448469460 1066930832 /nfs/dbraw/zinc/93/08/32/1066930832.db2.gz WOLBVPIMFLMZLR-VWLOTQADSA-N 0 0 452.514 4.680 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)F)c(F)c3)CC2)n1 ZINC001492759294 1066930812 /nfs/dbraw/zinc/93/08/12/1066930812.db2.gz YNELCCLOBJIFLI-UHFFFAOYSA-N 0 0 490.574 4.995 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc(Cl)c4)n3CCC(=O)NC(C)(C)C)CC2)n1 ZINC001492759285 1066930869 /nfs/dbraw/zinc/93/08/69/1066930869.db2.gz YGJLXMZIVOYRGI-UHFFFAOYSA-N 0 0 498.075 4.633 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCCO)CCO2)n1 ZINC001492759290 1066930896 /nfs/dbraw/zinc/93/08/96/1066930896.db2.gz YJCQBZYKKNGHBZ-RUZDIDTESA-N 0 0 494.684 4.514 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001448476709 1066931180 /nfs/dbraw/zinc/93/11/80/1066931180.db2.gz NYXKMEUEYWWYCC-HMXCVIKNSA-N 0 0 456.562 4.579 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3CCc3cc(C(F)(F)F)ccn3)CC2)n1 ZINC001492758804 1066931117 /nfs/dbraw/zinc/93/11/17/1066931117.db2.gz NQXHDVLUPGRVKY-UHFFFAOYSA-N 0 0 489.590 4.863 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC001448476157 1066931254 /nfs/dbraw/zinc/93/12/54/1066931254.db2.gz BRQNHHWPDRIHFT-UHFFFAOYSA-N 0 0 459.000 4.676 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001457843711 1066931380 /nfs/dbraw/zinc/93/13/80/1066931380.db2.gz SBUKCZDETGPYKU-AWEZNQCLSA-N 0 0 450.532 4.948 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCS(=O)(=O)Cc1cccc(C)c1 ZINC001457843824 1066931490 /nfs/dbraw/zinc/93/14/90/1066931490.db2.gz SLOROCYZPFMGDF-LJQANCHMSA-N 0 0 456.633 4.951 20 0 JJADRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC001457842623 1066931515 /nfs/dbraw/zinc/93/15/15/1066931515.db2.gz OWBJHJXKEMDHFE-HNNXBMFYSA-N 0 0 453.564 4.506 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccc(F)cc4)n3CCSC(C)C)CC2)n1 ZINC001492758948 1066931673 /nfs/dbraw/zinc/93/16/73/1066931673.db2.gz QUVLVWTYZFAHTC-UHFFFAOYSA-N 0 0 470.662 4.880 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccsc2)n1 ZINC001492759866 1066931865 /nfs/dbraw/zinc/93/18/65/1066931865.db2.gz OSJIROBOSJIKJK-UHFFFAOYSA-N 0 0 477.638 4.749 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccoc2)n1 ZINC001492759838 1066932019 /nfs/dbraw/zinc/93/20/19/1066932019.db2.gz OBKMHZORLSKFBP-IBGZPJMESA-N 0 0 452.534 4.690 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3C(C)C)CCO2)n1 ZINC001492760209 1066932335 /nfs/dbraw/zinc/93/23/35/1066932335.db2.gz YJMOSHMAMQNCIT-HSZRJFAPSA-N 0 0 494.684 4.788 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1C(=O)c1cccs1 ZINC001448489128 1066932243 /nfs/dbraw/zinc/93/22/43/1066932243.db2.gz PPGRIORAFQEAEN-INIZCTEOSA-N 0 0 455.377 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001448488397 1066932280 /nfs/dbraw/zinc/93/22/80/1066932280.db2.gz HVKLUGIMDZRZBN-KRWDZBQOSA-N 0 0 456.480 4.750 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001546006902 1066932309 /nfs/dbraw/zinc/93/23/09/1066932309.db2.gz FFQPVVXKQWMDDE-GPXNEJASSA-N 0 0 455.643 4.768 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001546006900 1066932348 /nfs/dbraw/zinc/93/23/48/1066932348.db2.gz FFQPVVXKQWMDDE-AKFKNWHVSA-N 0 0 455.643 4.768 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NCCCO[C@H]2CCOC2)c2nc3ccccc3s2)c1 ZINC001457856706 1066932432 /nfs/dbraw/zinc/93/24/32/1066932432.db2.gz JSPOMCQTAHURGE-PHJXOXRPSA-N 0 0 452.576 4.547 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCCCO[C@H]2CCOC2)c2nc3ccccc3s2)c1 ZINC001457856696 1066932443 /nfs/dbraw/zinc/93/24/43/1066932443.db2.gz JSPOMCQTAHURGE-CURYZJDOSA-N 0 0 452.576 4.547 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCCCO[C@@H]2CCOC2)c2nc3ccccc3s2)c1 ZINC001457856687 1066932461 /nfs/dbraw/zinc/93/24/61/1066932461.db2.gz JSPOMCQTAHURGE-CKNGIZQFSA-N 0 0 452.576 4.547 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)nnc1-c1ccccc1C ZINC001448489476 1066932714 /nfs/dbraw/zinc/93/27/14/1066932714.db2.gz RWYJZJYSAHUSEV-LBPRGKRZSA-N 0 0 455.531 4.718 20 0 JJADRN Cc1csc(Oc2ccc(NC(=O)c3cncc(I)c3)cc2F)n1 ZINC001448491003 1066932730 /nfs/dbraw/zinc/93/27/30/1066932730.db2.gz ZJVUJQQUSIFWOJ-UHFFFAOYSA-N 0 0 455.252 4.635 20 0 JJADRN C[C@]1(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)CCCS1 ZINC001457857925 1066932719 /nfs/dbraw/zinc/93/27/19/1066932719.db2.gz CYBAMUPFQXFRPS-OAHLLOKOSA-N 0 0 454.852 4.590 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492760511 1066932708 /nfs/dbraw/zinc/93/27/08/1066932708.db2.gz IAAZULPUYMSHEP-WMZHIEFXSA-N 0 0 493.656 4.507 20 0 JJADRN Cc1ccc(/C=C/c2cc(C(=O)NC[C@@H]3CCC[C@H]3O)c3cc(Br)ccc3n2)o1 ZINC001457858980 1066932813 /nfs/dbraw/zinc/93/28/13/1066932813.db2.gz JQIMHEDCWYOISQ-HYTYBOKASA-N 0 0 455.352 4.960 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc3c(c2)CCCCC3=O)CC1 ZINC001448490101 1066932872 /nfs/dbraw/zinc/93/28/72/1066932872.db2.gz UJZPIPNFWFYDKA-UHFFFAOYSA-N 0 0 459.468 4.604 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)Cc3nc(-c4ccc(F)cc4)cs3)cc2c(OC)c1 ZINC001457865555 1066933225 /nfs/dbraw/zinc/93/32/25/1066933225.db2.gz XELQOWURZKATEF-UHFFFAOYSA-N 0 0 453.539 4.739 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC001457868036 1066933295 /nfs/dbraw/zinc/93/32/95/1066933295.db2.gz OMSDSWGUWWCSTM-HMXCVIKNSA-N 0 0 450.645 4.737 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1OC ZINC001448497823 1066933506 /nfs/dbraw/zinc/93/35/06/1066933506.db2.gz QWTTVCFTUURAAC-SNVBAGLBSA-N 0 0 459.490 4.655 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n1 ZINC001492760816 1066933432 /nfs/dbraw/zinc/93/34/32/1066933432.db2.gz SPVYOPWYELICEB-DEOSSOPVSA-N 0 0 472.037 4.539 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1 ZINC001448500590 1066933652 /nfs/dbraw/zinc/93/36/52/1066933652.db2.gz DXUBLENHVLTNES-CYBMUJFWSA-N 0 0 452.343 4.714 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCc2nc(-c3ccccc3F)cs2)c1-c1ccc(F)cc1 ZINC001448499149 1066933819 /nfs/dbraw/zinc/93/38/19/1066933819.db2.gz DJIOVXPHZSCHKA-UHFFFAOYSA-N 0 0 457.527 4.603 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)n1 ZINC001492761285 1066933811 /nfs/dbraw/zinc/93/38/11/1066933811.db2.gz ICJOZUGSXAAIFW-NRFANRHFSA-N 0 0 467.637 4.625 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001457873042 1066933991 /nfs/dbraw/zinc/93/39/91/1066933991.db2.gz PLVSSKOEDZZSLJ-UHFFFAOYSA-N 0 0 458.465 4.823 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001448504020 1066934017 /nfs/dbraw/zinc/93/40/17/1066934017.db2.gz SLQMZZYCSWIDAP-CYBMUJFWSA-N 0 0 454.552 4.536 20 0 JJADRN COc1nc2ccc(NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)cc2s1 ZINC001448501998 1066934044 /nfs/dbraw/zinc/93/40/44/1066934044.db2.gz WYXCZZVRSBHZQZ-AREMUKBSSA-N 0 0 453.383 4.594 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)[C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001457870690 1066934147 /nfs/dbraw/zinc/93/41/47/1066934147.db2.gz CZHGXERKMUFQAG-KRWDZBQOSA-N 0 0 450.501 4.640 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC001492761421 1066934100 /nfs/dbraw/zinc/93/41/00/1066934100.db2.gz MDSYGVYGUAKBTI-UHFFFAOYSA-N 0 0 478.685 4.592 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2Br)n1 ZINC001492761573 1066934275 /nfs/dbraw/zinc/93/42/75/1066934275.db2.gz QBSBUFLQIPMPNE-UHFFFAOYSA-N 0 0 468.403 4.576 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1SC ZINC001457873020 1066934459 /nfs/dbraw/zinc/93/44/59/1066934459.db2.gz LHIFMKBHTJNYKS-VWLOTQADSA-N 0 0 456.608 4.708 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N1CCc2nccc(Br)c2C1 ZINC001457875929 1066934480 /nfs/dbraw/zinc/93/44/80/1066934480.db2.gz KHWFUQDXFZWGOS-UHFFFAOYSA-N 0 0 456.203 4.674 20 0 JJADRN CCn1c(SCC(=O)NCc2nc(-c3ccccc3F)cs2)nnc1-c1cccs1 ZINC001448505375 1066934741 /nfs/dbraw/zinc/93/47/41/1066934741.db2.gz ZTTOOPBWGYFXPA-UHFFFAOYSA-N 0 0 459.597 4.698 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)NCCOc1ccc(C(F)(F)F)cn1 ZINC001457877394 1066935029 /nfs/dbraw/zinc/93/50/29/1066935029.db2.gz XNMUKSKYVCRHSK-UHFFFAOYSA-N 0 0 451.670 4.644 20 0 JJADRN Cc1cc(C)n(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC001492762421 1066935410 /nfs/dbraw/zinc/93/54/10/1066935410.db2.gz QXLGUCXXDDTQOD-IBGZPJMESA-N 0 0 495.628 4.510 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001492762616 1066935432 /nfs/dbraw/zinc/93/54/32/1066935432.db2.gz YJQDJTRRZOCCLV-IITNATTFSA-N 0 0 499.704 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N[C@@H](CC3CCCC3)c3ccccc3)=NO2)C1 ZINC001546007415 1066935675 /nfs/dbraw/zinc/93/56/75/1066935675.db2.gz VWWGMHGLISHKGP-LVXARBLLSA-N 0 0 455.599 4.970 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc(CCCOc3ccc(Cl)cc3C)n1CCCC(C)C)C2 ZINC001492763782 1066935774 /nfs/dbraw/zinc/93/57/74/1066935774.db2.gz NIWQRAVVNBINCQ-UHFFFAOYSA-N 0 0 472.037 4.608 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCCC(C)C)CCO2)o1 ZINC001492763832 1066935799 /nfs/dbraw/zinc/93/57/99/1066935799.db2.gz PDLIFOGUODJZHX-KNQAVFIVSA-N 0 0 468.602 4.740 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC001546007460 1066935901 /nfs/dbraw/zinc/93/59/01/1066935901.db2.gz XBJDYEFAAIBPDB-HHHXNRCGSA-N 0 0 459.609 4.993 20 0 JJADRN CCOc1cccc(CNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1OC(F)F ZINC001457884574 1066936021 /nfs/dbraw/zinc/93/60/21/1066936021.db2.gz GUVSCYTZFKWAKC-UHFFFAOYSA-N 0 0 451.857 4.639 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCC(F)(F)F)CCO2)o1 ZINC001492764510 1066936139 /nfs/dbraw/zinc/93/61/39/1066936139.db2.gz HYCUWUIQJAJHER-OAHLLOKOSA-N 0 0 491.301 4.864 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492765273 1066936218 /nfs/dbraw/zinc/93/62/18/1066936218.db2.gz BDDLQNICRJDSTK-UHFFFAOYSA-N 0 0 498.962 4.739 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC001448534517 1066936370 /nfs/dbraw/zinc/93/63/70/1066936370.db2.gz ISFRROXELZAAJM-KRWDZBQOSA-N 0 0 456.564 4.545 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2c(O)cnc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC001457886326 1066936495 /nfs/dbraw/zinc/93/64/95/1066936495.db2.gz PBMCBUMCNNMOGF-RBUKOAKNSA-N 0 0 452.938 4.791 20 0 JJADRN C[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457886722 1066936576 /nfs/dbraw/zinc/93/65/76/1066936576.db2.gz RNKUDGOIDLHUNQ-KBXCAEBGSA-N 0 0 456.340 4.884 20 0 JJADRN CCOc1cccc(CNC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)c1OC(F)F ZINC001457887938 1066936581 /nfs/dbraw/zinc/93/65/81/1066936581.db2.gz OZOYMBZJZNWBDV-UHFFFAOYSA-N 0 0 455.457 4.856 20 0 JJADRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)c1 ZINC001448534916 1066936535 /nfs/dbraw/zinc/93/65/35/1066936535.db2.gz ACMDUCBIDVVWNX-OAQYLSRUSA-N 0 0 458.356 4.652 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492765462 1066936892 /nfs/dbraw/zinc/93/68/92/1066936892.db2.gz HRGNRLCCHHPUCA-UONOGXRCSA-N 0 0 493.500 4.831 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)[C@H](C)C2)s1 ZINC001492765440 1066936975 /nfs/dbraw/zinc/93/69/75/1066936975.db2.gz HFMQHBUOBDEGSP-ZIAGYGMSSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CC2CC2)s1 ZINC001492765472 1066937201 /nfs/dbraw/zinc/93/72/01/1066937201.db2.gz HXYCPRFDKSTFAC-UHFFFAOYSA-N 0 0 461.433 4.655 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001448536817 1066937307 /nfs/dbraw/zinc/93/73/07/1066937307.db2.gz RVIPIHLDPJYNKJ-JOCHJYFZSA-N 0 0 451.567 4.642 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492765545 1066937303 /nfs/dbraw/zinc/93/73/03/1066937303.db2.gz KBLUEDYDFKPJSW-CHWSQXEVSA-N 0 0 467.039 4.861 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)CN2CC[C@H](c3ccccc3)NC2=O)ccc1Br ZINC001448539528 1066937547 /nfs/dbraw/zinc/93/75/47/1066937547.db2.gz KKELPFATUYBQBJ-NHCUHLMSSA-N 0 0 456.384 4.578 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448539615 1066937626 /nfs/dbraw/zinc/93/76/26/1066937626.db2.gz KWBMYYZPSOXPRL-ZWKOTPCHSA-N 0 0 455.368 4.945 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)CN2CC[C@H](c3ccccc3)NC2=O)ccc1Br ZINC001448539533 1066937648 /nfs/dbraw/zinc/93/76/48/1066937648.db2.gz KKELPFATUYBQBJ-RTWAWAEBSA-N 0 0 456.384 4.578 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546007784 1066937662 /nfs/dbraw/zinc/93/76/62/1066937662.db2.gz FFNXNCAHLGGILO-FPOVZHCZSA-N 0 0 466.630 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)C1 ZINC001457894559 1066937727 /nfs/dbraw/zinc/93/77/27/1066937727.db2.gz PZKMUKGWHSIESY-UHFFFAOYSA-N 0 0 454.752 4.846 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)CCC2CC2)s1 ZINC001492765693 1066937681 /nfs/dbraw/zinc/93/76/81/1066937681.db2.gz ONHMUOYPODZFGE-UHFFFAOYSA-N 0 0 479.423 4.876 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492765757 1066937819 /nfs/dbraw/zinc/93/78/19/1066937819.db2.gz QLOCDAMEPBQSOY-CQSZACIVSA-N 0 0 461.433 4.737 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccsc2)s1 ZINC001492765643 1066937829 /nfs/dbraw/zinc/93/78/29/1066937829.db2.gz MWSVFDKHBXGBRJ-UHFFFAOYSA-N 0 0 478.445 4.526 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Br)c(F)c3)cc2)cn1 ZINC001448543634 1066937913 /nfs/dbraw/zinc/93/79/13/1066937913.db2.gz SAWUGWIBGODFPK-OAQYLSRUSA-N 0 0 457.347 4.911 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1Br ZINC001448543624 1066937927 /nfs/dbraw/zinc/93/79/27/1066937927.db2.gz RZKAGSIXNASNIH-ONCXSQPRSA-N 0 0 463.416 4.924 20 0 JJADRN CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001448542415 1066937934 /nfs/dbraw/zinc/93/79/34/1066937934.db2.gz PZFTYJFGEXAUPA-HSZRJFAPSA-N 0 0 451.592 4.553 20 0 JJADRN CN(C)Cc1cc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)ccc1Cl ZINC001448543250 1066937972 /nfs/dbraw/zinc/93/79/72/1066937972.db2.gz UBZKSEPZDHDUGN-UHFFFAOYSA-N 0 0 456.015 4.676 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1Br ZINC001448543622 1066938001 /nfs/dbraw/zinc/93/80/01/1066938001.db2.gz RZKAGSIXNASNIH-KVPLUYHFSA-N 0 0 463.416 4.924 20 0 JJADRN COc1ccccc1N1CC[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)ns2)C1 ZINC001457897171 1066938023 /nfs/dbraw/zinc/93/80/23/1066938023.db2.gz XRXLWXWJSMFMAN-INIZCTEOSA-N 0 0 458.381 4.590 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001492765959 1066938154 /nfs/dbraw/zinc/93/81/54/1066938154.db2.gz XJJBWUYFESPHJQ-UHFFFAOYSA-N 0 0 485.967 4.955 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c2ccccc2)cc1 ZINC001448550162 1066938305 /nfs/dbraw/zinc/93/83/05/1066938305.db2.gz IMQRSVDZIVXVEC-WWPVKYPJSA-N 0 0 452.913 4.631 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)s1 ZINC001492766006 1066938448 /nfs/dbraw/zinc/93/84/48/1066938448.db2.gz YRWJXGVPLVJTML-UHFFFAOYSA-N 0 0 483.386 4.654 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492765982 1066938606 /nfs/dbraw/zinc/93/86/06/1066938606.db2.gz YCXHWOZWHRSFPA-IBGZPJMESA-N 0 0 494.669 4.506 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1OC ZINC001448553715 1066938784 /nfs/dbraw/zinc/93/87/84/1066938784.db2.gz SRZPUOWYLJRPBQ-UHFFFAOYSA-N 0 0 454.567 4.653 20 0 JJADRN CN(CCOCc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001457901336 1066938771 /nfs/dbraw/zinc/93/87/71/1066938771.db2.gz ABRODDQDBUKGKT-PKTZIBPZSA-N 0 0 473.013 4.966 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)s1 ZINC001492766333 1066939044 /nfs/dbraw/zinc/93/90/44/1066939044.db2.gz JMPSGSYJUQKGBV-GOSISDBHSA-N 0 0 489.690 4.564 20 0 JJADRN Cc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)c1C ZINC001457904109 1066939410 /nfs/dbraw/zinc/93/94/10/1066939410.db2.gz IQFQKXNAHYPHRA-SANMLTNESA-N 0 0 455.558 4.982 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)s1 ZINC001492766693 1066939257 /nfs/dbraw/zinc/93/92/57/1066939257.db2.gz UMGDKSBMNDKSIK-UHFFFAOYSA-N 0 0 488.105 4.635 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCc3ccc(Br)cc3C2)s1 ZINC001492766638 1066939297 /nfs/dbraw/zinc/93/92/97/1066939297.db2.gz RMPFJZLFGQSNAT-UHFFFAOYSA-N 0 0 489.487 4.985 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1 ZINC001492766754 1066939351 /nfs/dbraw/zinc/93/93/51/1066939351.db2.gz VTUBCAWIPIZJTF-QAPCUYQASA-N 0 0 460.673 4.687 20 0 JJADRN CC(C)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001457906767 1066939672 /nfs/dbraw/zinc/93/96/72/1066939672.db2.gz RRFWSSDLMRVEJB-UHFFFAOYSA-N 0 0 454.564 4.505 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001492767120 1066939772 /nfs/dbraw/zinc/93/97/72/1066939772.db2.gz HKVNDLZGZFEVET-FQEVSTJZSA-N 0 0 454.644 4.749 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)CC2CC2)s1 ZINC001492767147 1066939846 /nfs/dbraw/zinc/93/98/46/1066939846.db2.gz IFYSNLVNANNKJZ-UHFFFAOYSA-N 0 0 467.426 4.803 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2cc(-c3cccc(Br)c3)no2)c1 ZINC001457909279 1066940195 /nfs/dbraw/zinc/94/01/95/1066940195.db2.gz OXLLQILFSJXFCN-UHFFFAOYSA-N 0 0 453.239 4.644 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492767689 1066940477 /nfs/dbraw/zinc/94/04/77/1066940477.db2.gz XRCKOGPOMFYYOD-HNNXBMFYSA-N 0 0 484.523 4.568 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)C2)s1 ZINC001492767612 1066940521 /nfs/dbraw/zinc/94/05/21/1066940521.db2.gz WAKVPVRZGVUYBF-QGZVFWFLSA-N 0 0 454.644 4.794 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)n1 ZINC001457913706 1066940623 /nfs/dbraw/zinc/94/06/23/1066940623.db2.gz OTFXPPUNEZCTIB-HNNXBMFYSA-N 0 0 456.543 4.856 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492767576 1066940540 /nfs/dbraw/zinc/94/05/40/1066940540.db2.gz ANFYKKCMPZSVGD-INIZCTEOSA-N 0 0 491.061 4.727 20 0 JJADRN COc1cc(C(=O)CCC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc(OC)c1OC ZINC001448596501 1066941167 /nfs/dbraw/zinc/94/11/67/1066941167.db2.gz USLBSFGSFREKAC-KRWDZBQOSA-N 0 0 453.457 4.794 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001457917146 1066941456 /nfs/dbraw/zinc/94/14/56/1066941456.db2.gz NFETWMKBUWMGGH-VQTJNVASSA-N 0 0 458.624 4.523 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](CC(C)C)C2)s1 ZINC001492768205 1066941357 /nfs/dbraw/zinc/94/13/57/1066941357.db2.gz PWWARZCBPIQCAE-WMZOPIPTSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nnc(CCn2c(C(C)C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)s1 ZINC001492767939 1066941419 /nfs/dbraw/zinc/94/14/19/1066941419.db2.gz HUBVVRKMPOHFTF-MRXNPFEDSA-N 0 0 467.412 4.714 20 0 JJADRN Cc1ccc(C(=O)Nc2ncc(Br)cc2I)cc1Cl ZINC001457919282 1066941785 /nfs/dbraw/zinc/94/17/85/1066941785.db2.gz WOTPWGNBIFHQRF-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2sc(COc3ccc(F)cc3)nc2C)n1 ZINC001457919271 1066942003 /nfs/dbraw/zinc/94/20/03/1066942003.db2.gz ZZAMGUDJSUBASI-ZDUSSCGKSA-N 0 0 450.561 4.639 20 0 JJADRN Cc1nc(NC(=O)CNC(=O)CCc2ccc(C)cc2)sc1Cc1cccc(Cl)c1F ZINC001448610355 1066941870 /nfs/dbraw/zinc/94/18/70/1066941870.db2.gz DABFEXGELXOIQP-UHFFFAOYSA-N 0 0 459.974 4.831 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Cl)c3)nnc2N2CC=C(C(F)(F)F)CC2)s1 ZINC001492768240 1066941970 /nfs/dbraw/zinc/94/19/70/1066941970.db2.gz RDVOLIQSPLCFOR-UHFFFAOYSA-N 0 0 454.909 4.700 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CCC(F)F)s1 ZINC001492768044 1066941982 /nfs/dbraw/zinc/94/19/82/1066941982.db2.gz LPBOQSBWAVKWEO-UHFFFAOYSA-N 0 0 491.793 4.855 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 ZINC001492768404 1066942332 /nfs/dbraw/zinc/94/23/32/1066942332.db2.gz WGVJRYJNCZUAKB-INIZCTEOSA-N 0 0 496.616 4.510 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOC)CCCC2)CCO1 ZINC001546095078 1066942372 /nfs/dbraw/zinc/94/23/72/1066942372.db2.gz FZPGPWIFLWWSEX-XMMPIXPASA-N 0 0 462.585 4.749 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492768310 1066942393 /nfs/dbraw/zinc/94/23/93/1066942393.db2.gz TYQLLTSHMDJLAR-CYBMUJFWSA-N 0 0 473.400 4.901 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1 ZINC001448615187 1066942480 /nfs/dbraw/zinc/94/24/80/1066942480.db2.gz UHLGWLISWJHSJH-MOPGFXCFSA-N 0 0 458.534 4.757 20 0 JJADRN Cc1nnc(CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)s1 ZINC001492769206 1066942700 /nfs/dbraw/zinc/94/27/00/1066942700.db2.gz WEDIDAWONYSBGL-UHFFFAOYSA-N 0 0 453.660 4.506 20 0 JJADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001448618364 1066942951 /nfs/dbraw/zinc/94/29/51/1066942951.db2.gz ATHSHYIMOQEIFR-JOCHJYFZSA-N 0 0 456.652 4.681 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001457934935 1066943249 /nfs/dbraw/zinc/94/32/49/1066943249.db2.gz JYQYNCUTWLRZFT-ZBEGNZNMSA-N 0 0 459.167 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)C1 ZINC001457933908 1066943273 /nfs/dbraw/zinc/94/32/73/1066943273.db2.gz ANVKCVRAHUPRDX-HXUWFJFHSA-N 0 0 454.615 4.771 20 0 JJADRN C[C@H](NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccc(O)c1 ZINC001448619024 1066943320 /nfs/dbraw/zinc/94/33/20/1066943320.db2.gz FJBCUGSCGDVELZ-AWEZNQCLSA-N 0 0 451.573 4.880 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C)(C)CC2)s1 ZINC001492770945 1066943457 /nfs/dbraw/zinc/94/34/57/1066943457.db2.gz FSVZXQZSHIOZAP-UHFFFAOYSA-N 0 0 453.435 4.604 20 0 JJADRN Cc1cc2nc(NC(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)cc(N(C)C)n2n1 ZINC001457937958 1066943774 /nfs/dbraw/zinc/94/37/74/1066943774.db2.gz PLFOYQRXUGWOMK-QFIPXVFZSA-N 0 0 453.518 4.854 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1noc(-c2ccccc2)n1 ZINC001457936949 1066943786 /nfs/dbraw/zinc/94/37/86/1066943786.db2.gz FIPTYDFKQKUYAW-JTQLQIEISA-N 0 0 451.118 4.753 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCC2(F)F)CCO1 ZINC001546095299 1066944172 /nfs/dbraw/zinc/94/41/72/1066944172.db2.gz KDIMNJFECDQTQE-AOMKIAJQSA-N 0 0 454.512 4.978 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCC2(F)F)CCO1 ZINC001546095301 1066944186 /nfs/dbraw/zinc/94/41/86/1066944186.db2.gz KDIMNJFECDQTQE-OPAMFIHVSA-N 0 0 454.512 4.978 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)ccc21 ZINC001457938899 1066944318 /nfs/dbraw/zinc/94/43/18/1066944318.db2.gz KDVYISLCMYTWIC-NRFANRHFSA-N 0 0 451.567 4.579 20 0 JJADRN COc1cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)ccc1Cl ZINC001448622826 1066944239 /nfs/dbraw/zinc/94/42/39/1066944239.db2.gz QFFNTAFLZHOEPU-UHFFFAOYSA-N 0 0 455.898 4.728 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N2CCCC[C@H](C)C2)s1 ZINC001492771781 1066944357 /nfs/dbraw/zinc/94/43/57/1066944357.db2.gz UCBCBMMCYXFIJQ-NSHDSACASA-N 0 0 453.435 4.604 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492771768 1066944452 /nfs/dbraw/zinc/94/44/52/1066944452.db2.gz LVBVEAUDFWULOR-OAQYLSRUSA-N 0 0 484.670 4.830 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCC2(F)F)CCO1 ZINC001546095302 1066944623 /nfs/dbraw/zinc/94/46/23/1066944623.db2.gz KDIMNJFECDQTQE-ZHRRBRCNSA-N 0 0 454.512 4.978 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC001448624178 1066944930 /nfs/dbraw/zinc/94/49/30/1066944930.db2.gz UHVUQPOWEAFKFL-UHFFFAOYSA-N 0 0 451.567 4.842 20 0 JJADRN CC(C)NC(=O)Nc1cccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 ZINC001448624941 1066945264 /nfs/dbraw/zinc/94/52/64/1066945264.db2.gz ZFFOXMSGFSWJRY-UHFFFAOYSA-N 0 0 459.388 4.696 20 0 JJADRN Cc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492773171 1066945193 /nfs/dbraw/zinc/94/51/93/1066945193.db2.gz XRNFMMUXLTWXOU-OAQYLSRUSA-N 0 0 475.062 4.678 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC001492773286 1066945260 /nfs/dbraw/zinc/94/52/60/1066945260.db2.gz AODZTJNJTGEMDM-WMLDXEAASA-N 0 0 491.459 4.843 20 0 JJADRN CC1(c2ccccc2)CC(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001448627242 1066945341 /nfs/dbraw/zinc/94/53/41/1066945341.db2.gz DLLICTHNLLKVJS-UHFFFAOYSA-N 0 0 456.514 4.616 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001546008340 1066945469 /nfs/dbraw/zinc/94/54/69/1066945469.db2.gz OXDKSUOFOOWLPK-LJQANCHMSA-N 0 0 452.603 4.573 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC001457945865 1066945589 /nfs/dbraw/zinc/94/55/89/1066945589.db2.gz GOQVIRUBDRRGCU-UHFFFAOYSA-N 0 0 455.440 4.656 20 0 JJADRN CC[C@@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)c1c(F)cccc1Cl ZINC001457948009 1066945828 /nfs/dbraw/zinc/94/58/28/1066945828.db2.gz ZTKXPYRWKSUATQ-QGZVFWFLSA-N 0 0 457.951 4.826 20 0 JJADRN CC[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)c1c(F)cccc1Cl ZINC001457947947 1066945913 /nfs/dbraw/zinc/94/59/13/1066945913.db2.gz ZTKXPYRWKSUATQ-KRWDZBQOSA-N 0 0 457.951 4.826 20 0 JJADRN Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1Cc1sccc1Br ZINC001492774857 1066946178 /nfs/dbraw/zinc/94/61/78/1066946178.db2.gz OXDZYJKMSFZMRK-CYBMUJFWSA-N 0 0 476.400 4.613 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(F)cc1F ZINC001457948943 1066946374 /nfs/dbraw/zinc/94/63/74/1066946374.db2.gz AJNGCDMLWXHZGX-SFHVURJKSA-N 0 0 458.958 4.966 20 0 JJADRN Cc1sc2ncn(CCC(=O)NCc3ccc(C)cc3O[C@H](C)CC(C)C)c(=O)c2c1C ZINC001457948689 1066946395 /nfs/dbraw/zinc/94/63/95/1066946395.db2.gz VVGQKMSHBYVATR-QGZVFWFLSA-N 0 0 455.624 4.903 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@H](c3cccc(F)c3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001448646293 1066946309 /nfs/dbraw/zinc/94/63/09/1066946309.db2.gz JPNWJYMHXHHPSV-CVJWPJSTSA-N 0 0 452.570 4.930 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1Cc1c(F)cccc1Cl ZINC001492776022 1066946475 /nfs/dbraw/zinc/94/64/75/1066946475.db2.gz OQRJTKOJSZMQHO-SJPCQFCGSA-N 0 0 463.985 4.794 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCCOc1ccc(F)cc1 ZINC001492776152 1066946622 /nfs/dbraw/zinc/94/66/22/1066946622.db2.gz SFCHRZSGMHTUIF-WCRBZPEASA-N 0 0 473.593 4.561 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3nc4c(cccc4F)n3C)cc2Br)no1 ZINC001457950605 1066946836 /nfs/dbraw/zinc/94/68/36/1066946836.db2.gz MUTGAWPZWRWAML-UHFFFAOYSA-N 0 0 459.275 4.603 20 0 JJADRN Cc1ccc(CNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(O[C@@H](C)CC(C)C)c1 ZINC001457951189 1066946897 /nfs/dbraw/zinc/94/68/97/1066946897.db2.gz YURCAMSCYVDNAH-CYFREDJKSA-N 0 0 450.579 4.745 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001492776907 1066947063 /nfs/dbraw/zinc/94/70/63/1066947063.db2.gz JQHJFPNHGWCACZ-GMAHTHKFSA-N 0 0 469.630 4.590 20 0 JJADRN CN(C(=O)c1nccc2c1cccc2S(N)(=O)=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448664746 1066947154 /nfs/dbraw/zinc/94/71/54/1066947154.db2.gz VQXFHLOGOCVNQV-QFIPXVFZSA-N 0 0 457.983 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c(F)cccc1F ZINC001448670601 1066947722 /nfs/dbraw/zinc/94/77/22/1066947722.db2.gz HMIBFGWCZMDKMK-CYXMAGCYSA-N 0 0 454.876 4.995 20 0 JJADRN Cc1nnc(N(C)Cc2cccc(Br)c2)n1Cc1sccc1Br ZINC001492781330 1066948174 /nfs/dbraw/zinc/94/81/74/1066948174.db2.gz UQPGUHRXUXQTQK-UHFFFAOYSA-N 0 0 456.207 4.858 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC001457957360 1066948495 /nfs/dbraw/zinc/94/84/95/1066948495.db2.gz RUEQAVGUALUPJK-UHFFFAOYSA-N 0 0 450.377 4.986 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc4c([nH]3)c(Cl)ccc4Br)n2)c1 ZINC001448674159 1066948697 /nfs/dbraw/zinc/94/86/97/1066948697.db2.gz JLVGYHNVWUCCQL-SNVBAGLBSA-N 0 0 459.735 4.563 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001457960453 1066948766 /nfs/dbraw/zinc/94/87/66/1066948766.db2.gz PIBLJNPSUHUREI-GOSISDBHSA-N 0 0 459.377 4.722 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(OCC(F)(F)F)nc1)C1CCCCCC1 ZINC001457958481 1066948822 /nfs/dbraw/zinc/94/88/22/1066948822.db2.gz ZYODAFKKIYSHGZ-UHFFFAOYSA-N 0 0 459.509 4.712 20 0 JJADRN Cc1nnc(N(C)CCc2ccc(Br)cc2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001492785863 1066948949 /nfs/dbraw/zinc/94/89/49/1066948949.db2.gz XWWJUXSGJPRTPT-UHFFFAOYSA-N 0 0 483.458 4.852 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)C(C)(C)C ZINC001457964878 1066949155 /nfs/dbraw/zinc/94/91/55/1066949155.db2.gz SYXXQPUDQMPEPK-QHCPKHFHSA-N 0 0 452.595 4.957 20 0 JJADRN Cc1nnc(N(C)CCCOc2ccc(F)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001492786355 1066949563 /nfs/dbraw/zinc/94/95/63/1066949563.db2.gz LKOFVIMIJOSPIB-UHFFFAOYSA-N 0 0 463.344 4.634 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(C)(C)C ZINC001457966519 1066949503 /nfs/dbraw/zinc/94/95/03/1066949503.db2.gz VMSLHJCUJHBNBU-HSZRJFAPSA-N 0 0 452.595 4.957 20 0 JJADRN Cc1ccnc(-n2nccc2NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 ZINC001457967861 1066949585 /nfs/dbraw/zinc/94/95/85/1066949585.db2.gz PALYDMAKAATNII-UHFFFAOYSA-N 0 0 454.353 4.643 20 0 JJADRN CCCc1c(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001448679353 1066949932 /nfs/dbraw/zinc/94/99/32/1066949932.db2.gz UXLAARLQKVWLJL-LBPRGKRZSA-N 0 0 451.420 4.796 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC001448678355 1066949996 /nfs/dbraw/zinc/94/99/96/1066949996.db2.gz MVYOIFHNTPYEJY-LLVKDONJSA-N 0 0 457.321 4.936 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448682812 1066950421 /nfs/dbraw/zinc/95/04/21/1066950421.db2.gz GKPAPHAZCJPONQ-CQSZACIVSA-N 0 0 452.308 4.736 20 0 JJADRN CCO[C@@H](CNC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001448682478 1066950504 /nfs/dbraw/zinc/95/05/04/1066950504.db2.gz MDFKAGNGWIAISM-GGAORHGYSA-N 0 0 452.551 4.763 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492794833 1066950819 /nfs/dbraw/zinc/95/08/19/1066950819.db2.gz JSDOMTBTUJGZFV-LBPRGKRZSA-N 0 0 466.305 4.935 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546095627 1066951139 /nfs/dbraw/zinc/95/11/39/1066951139.db2.gz QEPKYCPPUZHSCU-RUZDIDTESA-N 0 0 469.655 4.685 20 0 JJADRN CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC001448687784 1066951378 /nfs/dbraw/zinc/95/13/78/1066951378.db2.gz ODYHASGLLXELQQ-VQTJNVASSA-N 0 0 452.481 4.773 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492798420 1066951290 /nfs/dbraw/zinc/95/12/90/1066951290.db2.gz GGARBJWBMBQIMY-AWEZNQCLSA-N 0 0 485.473 4.555 20 0 JJADRN CSc1ccc(CCNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC001448688129 1066951400 /nfs/dbraw/zinc/95/14/00/1066951400.db2.gz PBPPWPMRUJVGDM-UHFFFAOYSA-N 0 0 459.365 4.989 20 0 JJADRN CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CNC(=O)N1CCCC1 ZINC001448688292 1066951766 /nfs/dbraw/zinc/95/17/66/1066951766.db2.gz PNIARMRZTKIRQQ-GOSISDBHSA-N 0 0 452.437 4.942 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)c1ccc(OC)cc1OC ZINC001457985666 1066952494 /nfs/dbraw/zinc/95/24/94/1066952494.db2.gz RDMBXYXNEBQDSR-MRXNPFEDSA-N 0 0 458.363 4.767 20 0 JJADRN CCn1cc(C(=O)NCC2(c3ccc(Br)cc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457987523 1066952771 /nfs/dbraw/zinc/95/27/71/1066952771.db2.gz YJVLPKOJXPOWDY-UHFFFAOYSA-N 0 0 459.771 4.899 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC ZINC001448696986 1066952765 /nfs/dbraw/zinc/95/27/65/1066952765.db2.gz SYQMWZZWFSPMQH-PMACEKPBSA-N 0 0 450.373 4.735 20 0 JJADRN O=C(NCC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1)C(F)(F)F ZINC001448720183 1066953357 /nfs/dbraw/zinc/95/33/57/1066953357.db2.gz QKQKTSHRZOVZTB-UHFFFAOYSA-N 0 0 457.452 4.539 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001492804577 1066953448 /nfs/dbraw/zinc/95/34/48/1066953448.db2.gz KXZZUTXQPQYSFO-UHFFFAOYSA-N 0 0 463.573 4.830 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CSc2ccccc21 ZINC001492804472 1066953482 /nfs/dbraw/zinc/95/34/82/1066953482.db2.gz ZGIHRPCUHVDCKV-LJQANCHMSA-N 0 0 457.644 4.559 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)cc1 ZINC001448721674 1066953480 /nfs/dbraw/zinc/95/34/80/1066953480.db2.gz MBRDPYKXLMUCBV-DEOSSOPVSA-N 0 0 456.652 4.543 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC001448721369 1066953492 /nfs/dbraw/zinc/95/34/92/1066953492.db2.gz NSUIOHFSTDMNQM-GVAUOCQISA-N 0 0 455.643 4.574 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001448724512 1066953878 /nfs/dbraw/zinc/95/38/78/1066953878.db2.gz UMGPEXLTXUKHTP-BMGDILEWSA-N 0 0 459.222 4.686 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001492804716 1066953874 /nfs/dbraw/zinc/95/38/74/1066953874.db2.gz OAPJNKDLQBUAQX-QFIPXVFZSA-N 0 0 491.080 4.626 20 0 JJADRN CCc1n[nH]c(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1Br ZINC001448725299 1066954196 /nfs/dbraw/zinc/95/41/96/1066954196.db2.gz ZTBSOSDCYLTVGS-UHFFFAOYSA-N 0 0 454.368 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)C[C@H]2C1 ZINC001448727532 1066954269 /nfs/dbraw/zinc/95/42/69/1066954269.db2.gz DQGQZUIXLLJAPV-KDURUIRLSA-N 0 0 456.970 4.858 20 0 JJADRN COc1ccccc1C[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001448729730 1066954349 /nfs/dbraw/zinc/95/43/49/1066954349.db2.gz VAKBTSUQLVMVFV-INIZCTEOSA-N 0 0 458.967 4.510 20 0 JJADRN Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001492806310 1066954337 /nfs/dbraw/zinc/95/43/37/1066954337.db2.gz LSKKNTHCBQBNAT-CQSZACIVSA-N 0 0 468.911 4.764 20 0 JJADRN Cc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CCCCn1cc(Br)cn1 ZINC001492813952 1066954516 /nfs/dbraw/zinc/95/45/16/1066954516.db2.gz CDTXZQUNDURZQF-UHFFFAOYSA-N 0 0 492.853 4.760 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3C[C@H](C)N(Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997873 1066954708 /nfs/dbraw/zinc/95/47/08/1066954708.db2.gz IKECOIVDRKCNLK-ROUUACIJSA-N 0 0 451.592 4.562 20 0 JJADRN Cc1nc(SCC(=O)NCCc2cccc(Br)c2C)[nH]c1Cc1ccccc1 ZINC001457999486 1066955305 /nfs/dbraw/zinc/95/53/05/1066955305.db2.gz YDGGZJUHGRZLEE-UHFFFAOYSA-N 0 0 458.425 4.831 20 0 JJADRN CO[C@@H]1CCOc2c(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)cccc21 ZINC001448757365 1066955849 /nfs/dbraw/zinc/95/58/49/1066955849.db2.gz SLKKQVOHTLQBCZ-JOCHJYFZSA-N 0 0 452.532 4.518 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492838265 1066955802 /nfs/dbraw/zinc/95/58/02/1066955802.db2.gz MJWDTMHTGALXFL-CGZBRXJRSA-N 0 0 484.954 4.859 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCc1cccc(OCc2ccccc2)c1 ZINC001458002542 1066955917 /nfs/dbraw/zinc/95/59/17/1066955917.db2.gz WEKLNZSKWFPFMR-UHFFFAOYSA-N 0 0 457.496 4.719 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1OC(F)F ZINC001492839353 1066956250 /nfs/dbraw/zinc/95/62/50/1066956250.db2.gz SWIZAVNEMHAXCC-LPHOPBHVSA-N 0 0 479.572 4.560 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492838973 1066956312 /nfs/dbraw/zinc/95/63/12/1066956312.db2.gz RBOXYFMWRXDXKK-PPXMBRMGSA-N 0 0 463.667 4.700 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)C1CC1 ZINC001448774058 1066956607 /nfs/dbraw/zinc/95/66/07/1066956607.db2.gz FSKZGCDWUHZHQJ-FPOVZHCZSA-N 0 0 456.562 4.963 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001448772889 1066956649 /nfs/dbraw/zinc/95/66/49/1066956649.db2.gz BSCSFXGITCGPGS-GOSISDBHSA-N 0 0 456.505 4.690 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492844667 1066956659 /nfs/dbraw/zinc/95/66/59/1066956659.db2.gz QKIQHBCOUMEIOD-CWJKEVGVSA-N 0 0 477.694 4.946 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492844669 1066956759 /nfs/dbraw/zinc/95/67/59/1066956759.db2.gz QKIQHBCOUMEIOD-MJUUVYJYSA-N 0 0 477.694 4.946 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458012898 1066956681 /nfs/dbraw/zinc/95/66/81/1066956681.db2.gz PGMIEPQWSLCSDD-YADHBBJMSA-N 0 0 451.567 4.639 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)CCC1 ZINC001448777154 1066956946 /nfs/dbraw/zinc/95/69/46/1066956946.db2.gz UYGABXZJYKAQGY-UHFFFAOYSA-N 0 0 450.539 4.595 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1NC(=O)Nc1ccccc1 ZINC001458015336 1066957251 /nfs/dbraw/zinc/95/72/51/1066957251.db2.gz CQGSLGUMMPMHTJ-QHCPKHFHSA-N 0 0 456.546 4.560 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)NC[C@@H](CO)Cc3ccncc3Cl)c2c1 ZINC001448786378 1066957439 /nfs/dbraw/zinc/95/74/39/1066957439.db2.gz NXAYOKKSBSRYFN-INIZCTEOSA-N 0 0 451.979 4.901 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)CC2)c1 ZINC001448783859 1066957651 /nfs/dbraw/zinc/95/76/51/1066957651.db2.gz ZSECXVVDTVZWCK-UHFFFAOYSA-N 0 0 456.302 4.986 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N2CCCc3cc(C(C)(C)C)ccc32)N(C(=O)OCc2ccccc2)C1 ZINC001458019404 1066957683 /nfs/dbraw/zinc/95/76/83/1066957683.db2.gz LWSCPUJGBSLZNM-VWNXMTODSA-N 0 0 450.579 4.689 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001492849407 1066957970 /nfs/dbraw/zinc/95/79/70/1066957970.db2.gz UHHDLTZRXVMQLG-SFHVURJKSA-N 0 0 475.584 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSc2ccc3c4c(cccc42)CC3)C[C@H]1C(F)(F)F ZINC001458026618 1066958079 /nfs/dbraw/zinc/95/80/79/1066958079.db2.gz ZZFYYDRSQYDJAF-QZTJIDSGSA-N 0 0 480.552 4.945 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001492848184 1066958108 /nfs/dbraw/zinc/95/81/08/1066958108.db2.gz MZYROEGAAUUNOL-QHAWAJNXSA-N 0 0 463.667 4.511 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001492848179 1066958115 /nfs/dbraw/zinc/95/81/15/1066958115.db2.gz MZYROEGAAUUNOL-NJDAHSKKSA-N 0 0 463.667 4.511 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492851469 1066958587 /nfs/dbraw/zinc/95/85/87/1066958587.db2.gz DOFYJELPASHXDF-KKUMJFAQSA-N 0 0 450.431 4.937 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492851497 1066958594 /nfs/dbraw/zinc/95/85/94/1066958594.db2.gz FDKRAQXVKZTHQS-APWZRJJASA-N 0 0 496.425 4.801 20 0 JJADRN COCCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)[C@H]1CC[C@@H](C)C1 ZINC001448810083 1066958895 /nfs/dbraw/zinc/95/88/95/1066958895.db2.gz VRXFFSNVNSMCBZ-AEFFLSMTSA-N 0 0 451.633 4.535 20 0 JJADRN CN(C(N)=O)c1cccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)c1 ZINC001448809562 1066958958 /nfs/dbraw/zinc/95/89/58/1066958958.db2.gz JGTQVRFZRSIYKR-HXUWFJFHSA-N 0 0 454.324 4.723 20 0 JJADRN COCCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)[C@@H]1CC[C@H](C)C1 ZINC001448810086 1066959001 /nfs/dbraw/zinc/95/90/01/1066959001.db2.gz VRXFFSNVNSMCBZ-FUHWJXTLSA-N 0 0 451.633 4.535 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC001458034187 1066959036 /nfs/dbraw/zinc/95/90/36/1066959036.db2.gz IMMHMLHWZJBPBU-HSZRJFAPSA-N 0 0 457.592 4.705 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CCOc1ccccc1C(C)C ZINC001492851696 1066959038 /nfs/dbraw/zinc/95/90/38/1066959038.db2.gz IFBINWHXBZKDIN-SFHVURJKSA-N 0 0 462.520 4.846 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc(Cl)c1F ZINC001448805056 1066959103 /nfs/dbraw/zinc/95/91/03/1066959103.db2.gz HQHZKSIUAMSQDK-UHFFFAOYSA-N 0 0 456.857 4.779 20 0 JJADRN Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001492870244 1066959360 /nfs/dbraw/zinc/95/93/60/1066959360.db2.gz GSFUNSHFSGBBPL-UHFFFAOYSA-N 0 0 487.073 4.589 20 0 JJADRN Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001492859117 1066959417 /nfs/dbraw/zinc/95/94/17/1066959417.db2.gz GTWHYUPVBXOKAC-LJQANCHMSA-N 0 0 465.451 4.509 20 0 JJADRN COC(=O)c1cc(F)c(C)c(OC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC001458040396 1066959598 /nfs/dbraw/zinc/95/95/98/1066959598.db2.gz DWMYDOUFWPLWCG-UHFFFAOYSA-N 0 0 455.442 4.588 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001458044772 1066959907 /nfs/dbraw/zinc/95/99/07/1066959907.db2.gz VSXFHYGUMQXFRH-FIKGOQFSSA-N 0 0 451.485 4.852 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)CC2)c1 ZINC001458042454 1066959959 /nfs/dbraw/zinc/95/99/59/1066959959.db2.gz OBDFWTXPFCCCNZ-HXUWFJFHSA-N 0 0 453.380 4.735 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)(C)C2CCCC2)c1 ZINC001458044989 1066960024 /nfs/dbraw/zinc/96/00/24/1066960024.db2.gz WXMHPMOJLMYXTR-QGZVFWFLSA-N 0 0 458.599 4.912 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCc1ccc(Cl)s1 ZINC001492940698 1066960283 /nfs/dbraw/zinc/96/02/83/1066960283.db2.gz CGWHYZVOAGNWBB-KRWDZBQOSA-N 0 0 467.820 4.885 20 0 JJADRN COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC001458046606 1066960707 /nfs/dbraw/zinc/96/07/07/1066960707.db2.gz OUZJMWHLEVCACO-UHFFFAOYSA-N 0 0 454.368 4.837 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(S(=O)(=O)C(F)F)cc3)cc2)cc1 ZINC001458046404 1066960871 /nfs/dbraw/zinc/96/08/71/1066960871.db2.gz MEPQKRIIBKUGCY-UHFFFAOYSA-N 0 0 453.488 4.584 20 0 JJADRN CC(=O)N(CCC(=O)N(c1ccccc1)c1ncccc1Br)Cc1ccccc1 ZINC001458048037 1066961102 /nfs/dbraw/zinc/96/11/02/1066961102.db2.gz WELLBHNHFHDBGC-UHFFFAOYSA-N 0 0 452.352 4.948 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448835719 1066961230 /nfs/dbraw/zinc/96/12/30/1066961230.db2.gz DDXVYAJZLLWINW-YCPHGPKFSA-N 0 0 457.384 4.671 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(-c2cccs2)nc1C ZINC001458052808 1066961734 /nfs/dbraw/zinc/96/17/34/1066961734.db2.gz KJWYVOOXOOVLIQ-LJQANCHMSA-N 0 0 459.365 4.867 20 0 JJADRN CC(C)Cc1ncnc(NC[C@H](c2ccco2)N2CCCCC2)c1I ZINC001458052974 1066961752 /nfs/dbraw/zinc/96/17/52/1066961752.db2.gz FSPXVGUVESCWTA-MRXNPFEDSA-N 0 0 454.356 4.512 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC001458053586 1066962128 /nfs/dbraw/zinc/96/21/28/1066962128.db2.gz DFDSOSQWIFVMLF-PBHICJAKSA-N 0 0 455.393 4.718 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccccc1OC(F)(F)F ZINC001492955669 1066962140 /nfs/dbraw/zinc/96/21/40/1066962140.db2.gz MMMRAJDMCZWDSZ-KRWDZBQOSA-N 0 0 481.544 4.865 20 0 JJADRN COCCOc1cccc(CC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001458055546 1066962429 /nfs/dbraw/zinc/96/24/29/1066962429.db2.gz CKVQWXPYHSSTMD-NRFANRHFSA-N 0 0 455.599 4.556 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2s1 ZINC001448842262 1066962567 /nfs/dbraw/zinc/96/25/67/1066962567.db2.gz KLBBUETZOQIMRE-ZIAGYGMSSA-N 0 0 452.646 4.722 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2s1 ZINC001448842254 1066962588 /nfs/dbraw/zinc/96/25/88/1066962588.db2.gz KLBBUETZOQIMRE-KBPBESRZSA-N 0 0 452.646 4.722 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCCCOc1ccc2ccccc2c1 ZINC001545695192 1066962682 /nfs/dbraw/zinc/96/26/82/1066962682.db2.gz JGNRAZXCIBRTMN-PKTZIBPZSA-N 0 0 450.535 4.989 20 0 JJADRN C[C@H](NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458058309 1066963987 /nfs/dbraw/zinc/96/39/87/1066963987.db2.gz WDTRQLLWETUQHM-ROUUACIJSA-N 0 0 454.567 4.724 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545699409 1066963917 /nfs/dbraw/zinc/96/39/17/1066963917.db2.gz WHJNDOXYMTUIJQ-GGAORHGYSA-N 0 0 467.658 4.691 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001545699593 1066963962 /nfs/dbraw/zinc/96/39/62/1066963962.db2.gz YXHCNIZMWUXVSQ-PKOBYXMFSA-N 0 0 488.702 4.572 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545699411 1066963972 /nfs/dbraw/zinc/96/39/72/1066963972.db2.gz WHJNDOXYMTUIJQ-JTHBVZDNSA-N 0 0 467.658 4.691 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001448853384 1066964354 /nfs/dbraw/zinc/96/43/54/1066964354.db2.gz ACEIWHHQSURWNH-GOSISDBHSA-N 0 0 451.260 4.804 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCN1C(=O)OC(C)(C)C ZINC001448850995 1066964425 /nfs/dbraw/zinc/96/44/25/1066964425.db2.gz XNAIQICNPNXRCL-QUCCMNQESA-N 0 0 452.599 4.794 20 0 JJADRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1nn(-c2ccccc2F)cc1Br ZINC001458059607 1066964516 /nfs/dbraw/zinc/96/45/16/1066964516.db2.gz AYCGAPBMBRKAPP-BEFAXECRSA-N 0 0 458.331 4.672 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCN1C(=O)OC(C)(C)C ZINC001448850984 1066964445 /nfs/dbraw/zinc/96/44/45/1066964445.db2.gz XNAIQICNPNXRCL-ICSRJNTNSA-N 0 0 452.599 4.794 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001545701969 1066964729 /nfs/dbraw/zinc/96/47/29/1066964729.db2.gz TWPTZLGJIKZYRL-RTBURBONSA-N 0 0 458.050 4.844 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001545702233 1066964738 /nfs/dbraw/zinc/96/47/38/1066964738.db2.gz XZZUWKINIQDSBX-WCAVRKLYSA-N 0 0 478.468 4.502 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001545702783 1066965273 /nfs/dbraw/zinc/96/52/73/1066965273.db2.gz NZAPHSOTKDXCEF-UHFFFAOYSA-N 0 0 450.808 4.929 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cnn(Cc2ccccc2)c1Br ZINC001458063219 1066965425 /nfs/dbraw/zinc/96/54/25/1066965425.db2.gz JCUPOXGXPVTYHE-GHTZIAJQSA-N 0 0 454.368 4.592 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001546010158 1066965566 /nfs/dbraw/zinc/96/55/66/1066965566.db2.gz GVRMPQSJPURHBP-QGZVFWFLSA-N 0 0 494.434 4.523 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cc2ccccc2o1 ZINC001545703554 1066965624 /nfs/dbraw/zinc/96/56/24/1066965624.db2.gz IKJRBXVMBRTLAA-KRWDZBQOSA-N 0 0 451.596 4.618 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001545703685 1066965717 /nfs/dbraw/zinc/96/57/17/1066965717.db2.gz KPQTZGIAMOZILI-KXBFYZLASA-N 0 0 472.684 4.514 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001545704384 1066965914 /nfs/dbraw/zinc/96/59/14/1066965914.db2.gz XWZNMGQAXGFWBG-DENIHFKCSA-N 0 0 455.622 4.524 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001545704334 1066966014 /nfs/dbraw/zinc/96/60/14/1066966014.db2.gz XEEIVEZICOOZHO-PZJWPPBQSA-N 0 0 495.697 4.533 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001545704368 1066966103 /nfs/dbraw/zinc/96/61/03/1066966103.db2.gz XSWGLPOEWWKRPR-SIKLNZKXSA-N 0 0 451.640 4.885 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001545705513 1066966330 /nfs/dbraw/zinc/96/63/30/1066966330.db2.gz BMCYVTJCSMAJOA-YLJYHZDGSA-N 0 0 471.602 4.704 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001545704385 1066966473 /nfs/dbraw/zinc/96/64/73/1066966473.db2.gz XWZNMGQAXGFWBG-KNQAVFIVSA-N 0 0 455.622 4.524 20 0 JJADRN CN(C)[C@@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882310 1066966762 /nfs/dbraw/zinc/96/67/62/1066966762.db2.gz APPHCGZLUGUDHY-VQTJNVASSA-N 0 0 450.808 4.808 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001545705630 1066966782 /nfs/dbraw/zinc/96/67/82/1066966782.db2.gz DFYZXHVCKNJSBF-RBBKRZOGSA-N 0 0 465.598 4.713 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)nc1C(C)C ZINC001458071036 1066966950 /nfs/dbraw/zinc/96/69/50/1066966950.db2.gz YECAXKORECGCHX-UHFFFAOYSA-N 0 0 456.543 4.817 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001458071494 1066967026 /nfs/dbraw/zinc/96/70/26/1066967026.db2.gz VHGMZKQMZNHNGC-UHFFFAOYSA-N 0 0 452.330 4.680 20 0 JJADRN O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448890896 1066967181 /nfs/dbraw/zinc/96/71/81/1066967181.db2.gz LDASOSKZRWNWLQ-MAUKXSAKSA-N 0 0 458.183 4.892 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001545705817 1066967163 /nfs/dbraw/zinc/96/71/63/1066967163.db2.gz GQSZOZUXAWGGGR-IAGOWNOFSA-N 0 0 480.078 4.532 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001545705918 1066967192 /nfs/dbraw/zinc/96/71/92/1066967192.db2.gz IVHDVBQBMVYULF-BDTNDASRSA-N 0 0 453.631 4.548 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001545706010 1066967264 /nfs/dbraw/zinc/96/72/64/1066967264.db2.gz KJGYKWLQRKEYJX-MOPGFXCFSA-N 0 0 481.563 4.557 20 0 JJADRN O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448890905 1066967577 /nfs/dbraw/zinc/96/75/77/1066967577.db2.gz LDASOSKZRWNWLQ-YJBOKZPZSA-N 0 0 458.183 4.892 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448891415 1066967639 /nfs/dbraw/zinc/96/76/39/1066967639.db2.gz MJGODHVAXJICLQ-OAQYLSRUSA-N 0 0 458.400 4.648 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458074165 1066967679 /nfs/dbraw/zinc/96/76/79/1066967679.db2.gz GYWOJBDOTZUZHK-MJGOQNOKSA-N 0 0 452.864 4.937 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001545706364 1066967802 /nfs/dbraw/zinc/96/78/02/1066967802.db2.gz QALMGAZNYFMYSE-BHYGNILZSA-N 0 0 480.440 4.561 20 0 JJADRN COc1ccc(-c2ocnc2C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448895067 1066967907 /nfs/dbraw/zinc/96/79/07/1066967907.db2.gz OXPRSPVVRKZFQZ-GOSISDBHSA-N 0 0 456.340 4.829 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448897355 1066967974 /nfs/dbraw/zinc/96/79/74/1066967974.db2.gz SOJMSMWODRYIQL-HXUWFJFHSA-N 0 0 451.368 4.931 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001545706545 1066968216 /nfs/dbraw/zinc/96/82/16/1066968216.db2.gz UFKHVNMFWZPRTJ-UWJYYQICSA-N 0 0 471.602 4.704 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c2)c1 ZINC001448901779 1066968299 /nfs/dbraw/zinc/96/82/99/1066968299.db2.gz DIIMGJRLQXKMSC-UGKGYDQZSA-N 0 0 458.942 4.874 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(C)(C)C ZINC001545706679 1066968326 /nfs/dbraw/zinc/96/83/26/1066968326.db2.gz WOFJCPNWFMDSAR-LJQANCHMSA-N 0 0 457.663 4.942 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001545706544 1066968351 /nfs/dbraw/zinc/96/83/51/1066968351.db2.gz UFKHVNMFWZPRTJ-UTKZUKDTSA-N 0 0 471.602 4.704 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001545706535 1066968361 /nfs/dbraw/zinc/96/83/61/1066968361.db2.gz SZUURSPZTPUMOF-WMZHIEFXSA-N 0 0 496.681 4.885 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001448901758 1066968390 /nfs/dbraw/zinc/96/83/90/1066968390.db2.gz DIIMGJRLQXKMSC-DENIHFKCSA-N 0 0 458.942 4.874 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2cc(Br)cc(C)c2o1)c1ccc(Cl)c(F)c1 ZINC001458077942 1066968393 /nfs/dbraw/zinc/96/83/93/1066968393.db2.gz XLPSBFFDKWXOHM-MRXNPFEDSA-N 0 0 454.679 4.940 20 0 JJADRN COc1ncc(Br)cc1COC(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC001458076489 1066968516 /nfs/dbraw/zinc/96/85/16/1066968516.db2.gz DYARPSGVXYJNPO-CQSZACIVSA-N 0 0 457.324 4.754 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC001545707316 1066968650 /nfs/dbraw/zinc/96/86/50/1066968650.db2.gz KBHCPFYADYIEST-DNQXCXABSA-N 0 0 450.604 4.739 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)c(OC(C)(C)C)c1 ZINC001545707594 1066968761 /nfs/dbraw/zinc/96/87/61/1066968761.db2.gz RFFRUOGPNWWGDL-OAQYLSRUSA-N 0 0 454.567 4.861 20 0 JJADRN COc1cc(C(F)(F)F)nc(Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)n1 ZINC001458079488 1066969299 /nfs/dbraw/zinc/96/92/99/1066969299.db2.gz RXVOLPAAVWIZET-SNVBAGLBSA-N 0 0 458.897 4.512 20 0 JJADRN CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001448912634 1066969257 /nfs/dbraw/zinc/96/92/57/1066969257.db2.gz UOWRNDSJDQTMJL-QHCPKHFHSA-N 0 0 459.384 4.715 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(N2CCC[C@H]2c2nc3ccccc3s2)nnc1C(C)(C)C ZINC001545708685 1066969449 /nfs/dbraw/zinc/96/94/49/1066969449.db2.gz NKJQLUTXJVUBAG-WMZOPIPTSA-N 0 0 454.644 4.832 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448920125 1066970142 /nfs/dbraw/zinc/97/01/42/1066970142.db2.gz DSMZBDABYHJOEI-JOCHJYFZSA-N 0 0 458.484 4.675 20 0 JJADRN O=C(Nc1ccc(CCO)cc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001545711855 1066970155 /nfs/dbraw/zinc/97/01/55/1066970155.db2.gz CZPZRLQKBDRGHD-UHFFFAOYSA-N 0 0 459.802 4.966 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CCCCC2)c(Br)c1 ZINC001448923926 1066970187 /nfs/dbraw/zinc/97/01/87/1066970187.db2.gz OUDSNOKVEVRIDL-BSRJHKFKSA-N 0 0 450.417 4.754 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)CCCCC2)c(Br)c1 ZINC001448923943 1066970479 /nfs/dbraw/zinc/97/04/79/1066970479.db2.gz OUDSNOKVEVRIDL-YZZKKUAISA-N 0 0 450.417 4.754 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CCO)cc1 ZINC001545712479 1066970649 /nfs/dbraw/zinc/97/06/49/1066970649.db2.gz XPVJLZDUUSUEAV-HXUWFJFHSA-N 0 0 458.558 4.725 20 0 JJADRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC001458084603 1066970675 /nfs/dbraw/zinc/97/06/75/1066970675.db2.gz SPJSEKDDEPKBHK-UHFFFAOYSA-N 0 0 459.559 4.721 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)CC2=O)cc1 ZINC001545715959 1066970732 /nfs/dbraw/zinc/97/07/32/1066970732.db2.gz CEQWCRWIMJYHFQ-BKMJKUGQSA-N 0 0 458.558 4.743 20 0 JJADRN O=Cc1ccc(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)s1 ZINC001448929056 1066970896 /nfs/dbraw/zinc/97/08/96/1066970896.db2.gz DLZZPQVPGCWDDY-MRXNPFEDSA-N 0 0 454.411 4.740 20 0 JJADRN COCc1nc(C)cc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)n1 ZINC001458088518 1066970949 /nfs/dbraw/zinc/97/09/49/1066970949.db2.gz CNMUSGGCFHOWIU-UHFFFAOYSA-N 0 0 453.955 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCC2(c3ccc(F)cc3F)CC2)(c2ccccc2)C1 ZINC001458088798 1066971006 /nfs/dbraw/zinc/97/10/06/1066971006.db2.gz MMOSZOGMGGOXEW-SANMLTNESA-N 0 0 456.533 4.691 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001545715994 1066970957 /nfs/dbraw/zinc/97/09/57/1066970957.db2.gz DGBMTOKCASRMSY-YADHBBJMSA-N 0 0 458.624 4.938 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c1 ZINC001545716083 1066971101 /nfs/dbraw/zinc/97/11/01/1066971101.db2.gz HIKCCSXNZCSQRH-RUZDIDTESA-N 0 0 451.588 4.605 20 0 JJADRN Cc1cc([C@H](NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C2CC2)ccc1F ZINC001458086476 1066971124 /nfs/dbraw/zinc/97/11/24/1066971124.db2.gz XUDXQDFZLGXMKS-OAQYLSRUSA-N 0 0 459.443 4.888 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC001448932988 1066971463 /nfs/dbraw/zinc/97/14/63/1066971463.db2.gz CNXMPUSLZFHOHH-QGZVFWFLSA-N 0 0 454.445 4.704 20 0 JJADRN CCOC(=O)c1cnc(Sc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cn1 ZINC001458090088 1066971402 /nfs/dbraw/zinc/97/14/02/1066971402.db2.gz RTEZZTSVUFNIQT-UHFFFAOYSA-N 0 0 451.939 4.629 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1C ZINC001458090181 1066971488 /nfs/dbraw/zinc/97/14/88/1066971488.db2.gz BFPMRIMSFZRWNB-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)C1(F)F ZINC001545716624 1066971437 /nfs/dbraw/zinc/97/14/37/1066971437.db2.gz VWYKDXCTCYYIKP-QHAWAJNXSA-N 0 0 460.521 4.697 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)C1(F)F ZINC001545716623 1066971457 /nfs/dbraw/zinc/97/14/57/1066971457.db2.gz VWYKDXCTCYYIKP-NJDAHSKKSA-N 0 0 460.521 4.697 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(Br)c(Cl)c3)c(C)c12 ZINC001458090496 1066971746 /nfs/dbraw/zinc/97/17/46/1066971746.db2.gz FDKQPNPTQJKANB-UHFFFAOYSA-N 0 0 451.752 4.581 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1)NC(=O)OC(C)(C)C ZINC001546010596 1066971783 /nfs/dbraw/zinc/97/17/83/1066971783.db2.gz OECDLZQAKPNOIS-HXUWFJFHSA-N 0 0 469.586 4.698 20 0 JJADRN CC(C)n1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)cn1 ZINC001448936590 1066971926 /nfs/dbraw/zinc/97/19/26/1066971926.db2.gz UWIQGOJZBFVBOO-LJQANCHMSA-N 0 0 452.418 4.643 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)c3cc4cc(Br)cnc4n3C)ccc2s1 ZINC001458091915 1066972248 /nfs/dbraw/zinc/97/22/48/1066972248.db2.gz IIEWMMRVDWNJSE-UHFFFAOYSA-N 0 0 458.337 4.980 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC001448941653 1066972170 /nfs/dbraw/zinc/97/21/70/1066972170.db2.gz VAWVYYPJTDXVHZ-INIZCTEOSA-N 0 0 454.445 4.543 20 0 JJADRN C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458092316 1066972380 /nfs/dbraw/zinc/97/23/80/1066972380.db2.gz GRNXFJGMHFCKAU-MRXNPFEDSA-N 0 0 452.526 4.670 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)CC1)Oc1cccc(F)c1 ZINC001546010737 1066972560 /nfs/dbraw/zinc/97/25/60/1066972560.db2.gz QWCBXMVOOJTFOI-AZUAARDMSA-N 0 0 485.629 4.893 20 0 JJADRN O=C(NC[C@H](CCO)c1ccccc1)c1ccccc1Sc1ccc(Br)cn1 ZINC001545718474 1066972573 /nfs/dbraw/zinc/97/25/73/1066972573.db2.gz IHXHXAZAUXSEDB-KRWDZBQOSA-N 0 0 457.393 4.891 20 0 JJADRN CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001545718820 1066972641 /nfs/dbraw/zinc/97/26/41/1066972641.db2.gz SRCGPHRWROCYTK-UHFFFAOYSA-N 0 0 453.336 4.608 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545719256 1066972829 /nfs/dbraw/zinc/97/28/29/1066972829.db2.gz CRHQHJFOTQLQNE-VQTJNVASSA-N 0 0 473.593 4.849 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccccc1-c1csc(C)n1 ZINC001448959253 1066973117 /nfs/dbraw/zinc/97/31/17/1066973117.db2.gz KDZSOXHRLMIFDZ-UHFFFAOYSA-N 0 0 451.577 4.747 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)c2c1CCC2 ZINC001458093698 1066973311 /nfs/dbraw/zinc/97/33/11/1066973311.db2.gz MXLKPDPCWOKLDC-UHFFFAOYSA-N 0 0 459.377 4.959 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545719570 1066973424 /nfs/dbraw/zinc/97/34/24/1066973424.db2.gz JBGQPPDSQRGWFJ-QUCCMNQESA-N 0 0 453.656 4.678 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC001545719688 1066973704 /nfs/dbraw/zinc/97/37/04/1066973704.db2.gz KUPVHPRSOYYLOA-RTWAWAEBSA-N 0 0 459.516 4.702 20 0 JJADRN CC(C)c1c(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cnn1-c1ccccc1 ZINC001448963719 1066974114 /nfs/dbraw/zinc/97/41/14/1066974114.db2.gz PWZGMKAJIUHIRA-XQNSMLJCSA-N 0 0 451.530 4.800 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545719785 1066973991 /nfs/dbraw/zinc/97/39/91/1066973991.db2.gz MBSAMHVNVLPVCK-IAGOWNOFSA-N 0 0 465.545 4.763 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@]1(C)CCCS1)c1ccccc1 ZINC001545720176 1066974330 /nfs/dbraw/zinc/97/43/30/1066974330.db2.gz SFFLILHNRXHSBO-WNCULLNHSA-N 0 0 485.742 4.900 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(C)CCCS1)c1ccccc1 ZINC001545720175 1066974386 /nfs/dbraw/zinc/97/43/86/1066974386.db2.gz SFFLILHNRXHSBO-KCWPFWIISA-N 0 0 485.742 4.900 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCSC1 ZINC001448968654 1066974440 /nfs/dbraw/zinc/97/44/40/1066974440.db2.gz JRTHIWZSWMCFCV-HOYKHHGWSA-N 0 0 452.620 4.809 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545720467 1066974753 /nfs/dbraw/zinc/97/47/53/1066974753.db2.gz XNMLVMZMSPHNRS-YMPZKCBVSA-N 0 0 469.674 4.766 20 0 JJADRN C[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458100185 1066974970 /nfs/dbraw/zinc/97/49/70/1066974970.db2.gz AGCDEGVWNNGHCZ-DVECYGJZSA-N 0 0 457.998 4.830 20 0 JJADRN C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)NC(=O)OC(C)(C)C ZINC001448979754 1066974986 /nfs/dbraw/zinc/97/49/86/1066974986.db2.gz BAKOLFWMDKOONO-MRXNPFEDSA-N 0 0 454.958 4.836 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545720518 1066975250 /nfs/dbraw/zinc/97/52/50/1066975250.db2.gz YJCMUYHCVPXADF-DHIUTWEWSA-N 0 0 481.641 4.612 20 0 JJADRN COc1cc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)cc(NC(C)=O)c1OC ZINC001458101352 1066975362 /nfs/dbraw/zinc/97/53/62/1066975362.db2.gz DPLWHXXJGBEDHF-HFJWLAOPSA-N 0 0 458.558 4.881 20 0 JJADRN O=C(Cc1ccccc1O[C@H]1CCOC1)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458101363 1066975385 /nfs/dbraw/zinc/97/53/85/1066975385.db2.gz GSEUFEUDASYMHP-NRFANRHFSA-N 0 0 458.396 4.788 20 0 JJADRN CO[C@@]1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 ZINC001448981221 1066975463 /nfs/dbraw/zinc/97/54/63/1066975463.db2.gz HAEMWYWMLZJJRT-QFIPXVFZSA-N 0 0 451.350 4.983 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001458100779 1066975515 /nfs/dbraw/zinc/97/55/15/1066975515.db2.gz CIETWSJHLUBPGJ-MRXNPFEDSA-N 0 0 459.359 4.569 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CCCCC2)ccc1Br ZINC001448987801 1066975522 /nfs/dbraw/zinc/97/55/22/1066975522.db2.gz SOEAYVYWMCCKMC-INIZCTEOSA-N 0 0 453.421 4.989 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545721436 1066975679 /nfs/dbraw/zinc/97/56/79/1066975679.db2.gz ABPUKAIPCVIVKS-QFIPXVFZSA-N 0 0 461.614 4.832 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)C2(c3ccc(C(C)C)cc3)CCCCC2)cc(OC)c1 ZINC001545721155 1066975694 /nfs/dbraw/zinc/97/56/94/1066975694.db2.gz PVUOKYHNSUIIJL-QFIPXVFZSA-N 0 0 453.623 4.997 20 0 JJADRN CC(C)(CO)[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 ZINC001448992281 1066975695 /nfs/dbraw/zinc/97/56/95/1066975695.db2.gz BGXVUWXRDLKPTF-FQEVSTJZSA-N 0 0 450.539 4.625 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458101980 1066975699 /nfs/dbraw/zinc/97/56/99/1066975699.db2.gz GDZBNRKMXBBOOP-MHECFPHRSA-N 0 0 453.970 4.889 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)Cc2ccccc2OCc2ccncc2)C(F)(F)F)cc1 ZINC001458102041 1066975859 /nfs/dbraw/zinc/97/58/59/1066975859.db2.gz GRNGYWRQPAJLJU-JOCHJYFZSA-N 0 0 459.420 4.837 20 0 JJADRN O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCC[C@H](Oc2ncccc2F)C1 ZINC001448990503 1066975909 /nfs/dbraw/zinc/97/59/09/1066975909.db2.gz LIPNDKBQDRARNN-LBPRGKRZSA-N 0 0 452.711 4.802 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545721680 1066976040 /nfs/dbraw/zinc/97/60/40/1066976040.db2.gz DWSODRYSIIGHGE-QTJGBDASSA-N 0 0 450.631 4.559 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545721643 1066976108 /nfs/dbraw/zinc/97/61/08/1066976108.db2.gz DIPTVAKALUUOEK-RIPCNWKXSA-N 0 0 482.698 4.917 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721675 1066976128 /nfs/dbraw/zinc/97/61/28/1066976128.db2.gz DVGJUNBTMQSIMZ-QUCCMNQESA-N 0 0 478.670 4.911 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)c1nc(Br)c2ccccn21 ZINC001458102950 1066976209 /nfs/dbraw/zinc/97/62/09/1066976209.db2.gz PPXHPQNUDQWZTR-UHFFFAOYSA-N 0 0 453.134 4.899 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Br)ccc2OC(C)C)c1 ZINC001458102486 1066976250 /nfs/dbraw/zinc/97/62/50/1066976250.db2.gz LVEROHGMTXSUQJ-UHFFFAOYSA-N 0 0 451.386 4.855 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721686 1066976170 /nfs/dbraw/zinc/97/61/70/1066976170.db2.gz FANHIOWQVNWWPO-QFIPXVFZSA-N 0 0 487.656 4.765 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545721763 1066976373 /nfs/dbraw/zinc/97/63/73/1066976373.db2.gz GNNZGVXXQPTZHT-SIKLNZKXSA-N 0 0 472.559 4.736 20 0 JJADRN C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458103021 1066976677 /nfs/dbraw/zinc/97/66/77/1066976677.db2.gz JXCWIVZFVYBSSY-UZUQRXQVSA-N 0 0 455.580 4.562 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545721764 1066976595 /nfs/dbraw/zinc/97/65/95/1066976595.db2.gz GNNZGVXXQPTZHT-UGKGYDQZSA-N 0 0 472.559 4.736 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cccs2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545722006 1066976840 /nfs/dbraw/zinc/97/68/40/1066976840.db2.gz LTDTYIIFAIHSQH-QFIPXVFZSA-N 0 0 451.640 4.921 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(F)(F)F)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545721932 1066976915 /nfs/dbraw/zinc/97/69/15/1066976915.db2.gz JYZSKEJGNBUQLY-MRXNPFEDSA-N 0 0 455.431 4.863 20 0 JJADRN C[C@@H]1CSCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001449007270 1066976920 /nfs/dbraw/zinc/97/69/20/1066976920.db2.gz GPXXJHSOGDEQJU-ZDUSSCGKSA-N 0 0 459.420 4.619 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1C ZINC001449013032 1066976943 /nfs/dbraw/zinc/97/69/43/1066976943.db2.gz LLOJQZJEHVIWSD-NSHDSACASA-N 0 0 451.955 4.622 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n(-c2ccccc2)n1 ZINC001458104849 1066977094 /nfs/dbraw/zinc/97/70/94/1066977094.db2.gz NPIILVWCGHOAOE-INIZCTEOSA-N 0 0 453.468 4.746 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CC)Oc1ccccc1F ZINC001546010953 1066977055 /nfs/dbraw/zinc/97/70/55/1066977055.db2.gz VOLUVLQSVXDRFS-ROUUACIJSA-N 0 0 471.602 4.645 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1CC(=O)NCc1ccco1)c1ccccc1 ZINC001545722103 1066977211 /nfs/dbraw/zinc/97/72/11/1066977211.db2.gz NVTBIJMXFMWENO-JOCHJYFZSA-N 0 0 463.607 4.736 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnn(CC)c2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545722169 1066977296 /nfs/dbraw/zinc/97/72/96/1066977296.db2.gz PLLNBPMNVQSRMC-FQEVSTJZSA-N 0 0 478.670 4.870 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)cc1F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458106282 1066977324 /nfs/dbraw/zinc/97/73/24/1066977324.db2.gz QFCJRGCAEPSZRP-OYHNWAKOSA-N 0 0 450.348 4.572 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC001449018606 1066977351 /nfs/dbraw/zinc/97/73/51/1066977351.db2.gz MYTYHLQXIOSUGO-WBVHZDCISA-N 0 0 458.253 4.841 20 0 JJADRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC001458107938 1066977634 /nfs/dbraw/zinc/97/76/34/1066977634.db2.gz MBLGQQQFRCPDTI-UHFFFAOYSA-N 0 0 451.741 4.588 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458107954 1066977648 /nfs/dbraw/zinc/97/76/48/1066977648.db2.gz SNIXWVGUXSZQEO-QRWLVFNGSA-N 0 0 452.473 4.554 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545722339 1066977806 /nfs/dbraw/zinc/97/78/06/1066977806.db2.gz SKPIOYXNPBQSPB-HSZRJFAPSA-N 0 0 471.609 4.867 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001449025571 1066977721 /nfs/dbraw/zinc/97/77/21/1066977721.db2.gz BISGXLWRQPBSKZ-INIZCTEOSA-N 0 0 450.318 4.758 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CCC4(CC4)CC3)cc2)cc1 ZINC001449023553 1066977904 /nfs/dbraw/zinc/97/79/04/1066977904.db2.gz IKYBCUPCCSKXLS-UHFFFAOYSA-N 0 0 454.636 4.915 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnc2cc(F)c(F)cc2c1O ZINC001449030694 1066978115 /nfs/dbraw/zinc/97/81/15/1066978115.db2.gz SVKANEMFUKUYEK-LBPRGKRZSA-N 0 0 452.288 4.512 20 0 JJADRN COC(=O)c1sc(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)nc1Cl ZINC001458109084 1066978097 /nfs/dbraw/zinc/97/80/97/1066978097.db2.gz OXSJWPPGYUSVLM-UHFFFAOYSA-N 0 0 459.955 4.993 20 0 JJADRN C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458109055 1066978202 /nfs/dbraw/zinc/97/82/02/1066978202.db2.gz VIHFTZSODMDARB-MZNJEOGPSA-N 0 0 456.970 4.522 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001449033784 1066978237 /nfs/dbraw/zinc/97/82/37/1066978237.db2.gz WYBNDZWJTVFJJM-NSHDSACASA-N 0 0 458.271 4.682 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(Br)s2)n1CCCNC(C)=O)c1ccccc1 ZINC001545722518 1066978416 /nfs/dbraw/zinc/97/84/16/1066978416.db2.gz VYDLBHNOMKKTBT-LJQANCHMSA-N 0 0 490.471 4.807 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2Cc3ccccc3C(F)(F)C2)C1 ZINC001458110042 1066978504 /nfs/dbraw/zinc/97/85/04/1066978504.db2.gz JLIAFCIPRPRQBI-MRXNPFEDSA-N 0 0 453.316 4.980 20 0 JJADRN CCCc1nc(C(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)nn1-c1ccccc1F ZINC001458110215 1066978636 /nfs/dbraw/zinc/97/86/36/1066978636.db2.gz FUFUCTJUPOMGLZ-UHFFFAOYSA-N 0 0 451.546 4.872 20 0 JJADRN C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001449036934 1066978518 /nfs/dbraw/zinc/97/85/18/1066978518.db2.gz YXLCEFZMOOAOCT-OAHLLOKOSA-N 0 0 451.876 4.627 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449038483 1066978746 /nfs/dbraw/zinc/97/87/46/1066978746.db2.gz AGPYYUHYRRVVDH-UHFFFAOYSA-N 0 0 456.302 4.911 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1=O ZINC001458110996 1066978964 /nfs/dbraw/zinc/97/89/64/1066978964.db2.gz MXROSVYZAKUUAG-QGZVFWFLSA-N 0 0 459.011 4.793 20 0 JJADRN CCNC(=O)COc1ccc(CNc2ncnc3scc(-c4cccs4)c32)cc1OC ZINC001458113386 1066979789 /nfs/dbraw/zinc/97/97/89/1066979789.db2.gz MZDLBUIMRDHJQG-UHFFFAOYSA-N 0 0 454.577 4.555 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC001458114572 1066979838 /nfs/dbraw/zinc/97/98/38/1066979838.db2.gz DRNMSUGCYHPREZ-MRXNPFEDSA-N 0 0 451.564 4.848 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545724090 1066979994 /nfs/dbraw/zinc/97/99/94/1066979994.db2.gz LQUJSBLWRSFOFG-UXHICEINSA-N 0 0 484.563 4.623 20 0 JJADRN CCn1c(CNC(=O)c2ccc(Nc3cccnc3)cc2)nc2cc(Br)ccc21 ZINC001449053677 1066980358 /nfs/dbraw/zinc/98/03/58/1066980358.db2.gz XTVGNQHSRJFEBV-UHFFFAOYSA-N 0 0 450.340 4.887 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccsc2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545724166 1066980500 /nfs/dbraw/zinc/98/05/00/1066980500.db2.gz MQYQLXVNCZHATH-QFIPXVFZSA-N 0 0 453.656 4.629 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001449062345 1066980652 /nfs/dbraw/zinc/98/06/52/1066980652.db2.gz GOFFWZPGLNRRGS-SFTDATJTSA-N 0 0 450.608 4.865 20 0 JJADRN COc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(N)c1F ZINC001546011309 1066980877 /nfs/dbraw/zinc/98/08/77/1066980877.db2.gz CCQJFTBESFIQCV-DEOSSOPVSA-N 0 0 453.945 4.617 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC(C)(C)c1ccccc1Br ZINC001458118610 1066980721 /nfs/dbraw/zinc/98/07/21/1066980721.db2.gz HNRWATDNPHOMSN-UHFFFAOYSA-N 0 0 452.702 4.720 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458116859 1066980732 /nfs/dbraw/zinc/98/07/32/1066980732.db2.gz ABMQIJQWNRSQQP-ZDUSSCGKSA-N 0 0 450.486 4.540 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnn1-c1ccccc1Cl ZINC001458120678 1066981052 /nfs/dbraw/zinc/98/10/52/1066981052.db2.gz KXRDMBWJKIYGRR-LBPRGKRZSA-N 0 0 455.893 4.724 20 0 JJADRN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 ZINC001449070854 1066981276 /nfs/dbraw/zinc/98/12/76/1066981276.db2.gz CXAQYJIODMZQEE-LJQANCHMSA-N 0 0 451.592 4.678 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC001449070700 1066981289 /nfs/dbraw/zinc/98/12/89/1066981289.db2.gz CMMHLJNINDVOQE-VQTJNVASSA-N 0 0 453.633 4.609 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546097168 1066981249 /nfs/dbraw/zinc/98/12/49/1066981249.db2.gz DLXJMDXRTLPUDZ-NLFFAJNJSA-N 0 0 463.667 4.565 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCC(C)(C)c1ccccc1Br ZINC001458121676 1066981448 /nfs/dbraw/zinc/98/14/48/1066981448.db2.gz GTSGFKOFDZGYHS-AWEZNQCLSA-N 0 0 450.398 4.810 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001449079512 1066981523 /nfs/dbraw/zinc/98/15/23/1066981523.db2.gz HXKLAURYSYBQBY-RDJZCZTQSA-N 0 0 459.612 4.741 20 0 JJADRN Cc1c(NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001458122101 1066981600 /nfs/dbraw/zinc/98/16/00/1066981600.db2.gz JZICKNMFHQVSCT-QFIPXVFZSA-N 0 0 450.514 4.933 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC(C)(C)c3ccccc3Br)C2)cc1 ZINC001458122739 1066981791 /nfs/dbraw/zinc/98/17/91/1066981791.db2.gz JQDZOLKMSBMIOJ-LJQANCHMSA-N 0 0 457.412 4.704 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cccc(F)c1F ZINC001458122320 1066981844 /nfs/dbraw/zinc/98/18/44/1066981844.db2.gz QJCKBGHFKJBILG-CQSZACIVSA-N 0 0 456.942 4.674 20 0 JJADRN CC[C@@]1(C(=O)Nc2cc(C)cc(I)c2)CCCN1C(=O)OC(C)(C)C ZINC001449098533 1066981873 /nfs/dbraw/zinc/98/18/73/1066981873.db2.gz KQBJJJKSJLZAIP-IBGZPJMESA-N 0 0 458.340 4.718 20 0 JJADRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001449090271 1066981932 /nfs/dbraw/zinc/98/19/32/1066981932.db2.gz TXJUSWDHCJCAPP-QHCPKHFHSA-N 0 0 456.539 4.858 20 0 JJADRN CCn1c2ccccc2nc1SCC(=O)Nc1cc(C)cc(I)c1 ZINC001449095870 1066981985 /nfs/dbraw/zinc/98/19/85/1066981985.db2.gz FNRGLHKMLIOWSS-UHFFFAOYSA-N 0 0 451.333 4.700 20 0 JJADRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001449090270 1066982056 /nfs/dbraw/zinc/98/20/56/1066982056.db2.gz TXJUSWDHCJCAPP-HSZRJFAPSA-N 0 0 456.539 4.858 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCSC)n1C[C@H]1CCC[C@]2(CCOC2)O1)c1ccccc1 ZINC001545725641 1066982357 /nfs/dbraw/zinc/98/23/57/1066982357.db2.gz AASYOAMKUVSCGV-TZBSWOFLSA-N 0 0 458.672 4.738 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001449103005 1066982464 /nfs/dbraw/zinc/98/24/64/1066982464.db2.gz ANJXIKWUCNTPHM-LJQANCHMSA-N 0 0 457.374 4.504 20 0 JJADRN Cc1cc(I)cc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001449098616 1066982511 /nfs/dbraw/zinc/98/25/11/1066982511.db2.gz KSZPGTFKWNEXBK-INIZCTEOSA-N 0 0 458.340 4.718 20 0 JJADRN O=C(c1ccc(Br)cc1-n1cncn1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001458123276 1066982489 /nfs/dbraw/zinc/98/24/89/1066982489.db2.gz HLILFULOWLKROK-IBGZPJMESA-N 0 0 453.384 4.905 20 0 JJADRN Cc1cc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C)n1C1CCOCC1 ZINC001449111050 1066982965 /nfs/dbraw/zinc/98/29/65/1066982965.db2.gz VYTBONLHZMUFIF-HSZRJFAPSA-N 0 0 450.501 4.607 20 0 JJADRN Cc1ccc([C@H](CNc2nc(C(F)(F)F)c(Br)s2)N2CCOCC2)cc1 ZINC001458125115 1066982997 /nfs/dbraw/zinc/98/29/97/1066982997.db2.gz VBUUXFMWNHQKCL-ZDUSSCGKSA-N 0 0 450.324 4.718 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001458125295 1066983053 /nfs/dbraw/zinc/98/30/53/1066983053.db2.gz OULGVTCUICLTIT-UHFFFAOYSA-N 0 0 457.452 4.940 20 0 JJADRN COC(=O)COc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC001458125478 1066983117 /nfs/dbraw/zinc/98/31/17/1066983117.db2.gz UXCGWUUKYMCGRY-UHFFFAOYSA-N 0 0 451.331 4.850 20 0 JJADRN CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC001449107020 1066983058 /nfs/dbraw/zinc/98/30/58/1066983058.db2.gz NTQATKPVSZMHEU-QHCPKHFHSA-N 0 0 459.011 4.718 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCn2cccn2)n1Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC001545726493 1066983255 /nfs/dbraw/zinc/98/32/55/1066983255.db2.gz QYNOXELZCKQJBX-HXUWFJFHSA-N 0 0 469.515 4.615 20 0 JJADRN O=C(NCc1cc(F)c(F)cc1Br)c1cc2cc(Br)sc2[nH]1 ZINC001449114038 1066983274 /nfs/dbraw/zinc/98/32/74/1066983274.db2.gz WCFZFJPPQLVHCD-UHFFFAOYSA-N 0 0 450.102 4.963 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C(=O)NC)cc1OC ZINC001458126704 1066983464 /nfs/dbraw/zinc/98/34/64/1066983464.db2.gz JOGNVNYBJUSVNT-UHFFFAOYSA-N 0 0 455.736 4.512 20 0 JJADRN CC[C@H](c1nnc(N(C)CCCC(=O)NC)n1C[C@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726606 1066983696 /nfs/dbraw/zinc/98/36/96/1066983696.db2.gz TXQCXPGDPPPKAN-PKTZIBPZSA-N 0 0 467.658 4.664 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCC(=O)NC)n1C[C@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726604 1066983703 /nfs/dbraw/zinc/98/37/03/1066983703.db2.gz TXQCXPGDPPPKAN-DHIUTWEWSA-N 0 0 467.658 4.664 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC001545726772 1066983769 /nfs/dbraw/zinc/98/37/69/1066983769.db2.gz WYVOLFHSCLOLOM-DNVJHFABSA-N 0 0 490.714 4.532 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCC(=O)NC)n1C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726607 1066983789 /nfs/dbraw/zinc/98/37/89/1066983789.db2.gz TXQCXPGDPPPKAN-XZOQPEGZSA-N 0 0 467.658 4.664 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(c4c(C)cc(Br)cc4C)C3=O)cc2c1 ZINC001449121228 1066984078 /nfs/dbraw/zinc/98/40/78/1066984078.db2.gz CLFVSMDAEAFDRC-LJQANCHMSA-N 0 0 454.368 4.781 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545726775 1066984172 /nfs/dbraw/zinc/98/41/72/1066984172.db2.gz WYVOLFHSCLOLOM-ZRBLBEILSA-N 0 0 490.714 4.532 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccncc3)n2CCc2ccccc2C(F)(F)F)CCO1 ZINC001546097295 1066984330 /nfs/dbraw/zinc/98/43/30/1066984330.db2.gz HVEDGKLCEJJOOT-HSZRJFAPSA-N 0 0 459.516 4.531 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC001458130192 1066984365 /nfs/dbraw/zinc/98/43/65/1066984365.db2.gz YFXJTSSVHBRGEE-UHFFFAOYSA-N 0 0 453.336 4.697 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001449133980 1066984463 /nfs/dbraw/zinc/98/44/63/1066984463.db2.gz NLBZXDQHNCDYJF-QGZVFWFLSA-N 0 0 459.331 4.591 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545727827 1066984553 /nfs/dbraw/zinc/98/45/53/1066984553.db2.gz ADSHREDEZGSEME-NFBKMPQASA-N 0 0 495.672 4.835 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545727828 1066984591 /nfs/dbraw/zinc/98/45/91/1066984591.db2.gz ADSHREDEZGSEME-NZQKXSOJSA-N 0 0 495.672 4.835 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)COc2ccc(F)cc2Cl)c1Cl ZINC001458133805 1066984597 /nfs/dbraw/zinc/98/45/97/1066984597.db2.gz JLEXBNZQXMMTEU-UHFFFAOYSA-N 0 0 451.075 4.699 20 0 JJADRN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc(C(F)(F)F)cnc1Cl ZINC001458131464 1066984612 /nfs/dbraw/zinc/98/46/12/1066984612.db2.gz AKPVCVOVTJXERY-CQSZACIVSA-N 0 0 458.868 4.968 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(Sc3ccccc3)cc2)ccc1F ZINC001458131774 1066984690 /nfs/dbraw/zinc/98/46/90/1066984690.db2.gz QCLIVJJICXJKOF-UHFFFAOYSA-N 0 0 458.580 4.594 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC001458132374 1066984730 /nfs/dbraw/zinc/98/47/30/1066984730.db2.gz CWKVKIJQWUMPQW-UHFFFAOYSA-N 0 0 458.522 4.597 20 0 JJADRN COc1cc(CN(C)c2ncnc3ccc(I)cc32)ccc1SC ZINC001458131911 1066984770 /nfs/dbraw/zinc/98/47/70/1066984770.db2.gz KPPQMXJYXAAZQE-UHFFFAOYSA-N 0 0 451.333 4.601 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c(C)n1C1CC1 ZINC001449128677 1066984671 /nfs/dbraw/zinc/98/46/71/1066984671.db2.gz MJNVBGHWHDDGPG-HXUWFJFHSA-N 0 0 458.400 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCc2cccc(Br)c2C1 ZINC001545727606 1066984798 /nfs/dbraw/zinc/98/47/98/1066984798.db2.gz UPHWGEQHBFXBPG-VGSWGCGISA-N 0 0 451.405 4.807 20 0 JJADRN CC[C@H](c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C1CC(C(C)(C)C)C1)c1ccccc1 ZINC001545728048 1066985161 /nfs/dbraw/zinc/98/51/61/1066985161.db2.gz FABLZBDFLNCLOM-VTLFHKLASA-N 0 0 458.672 4.831 20 0 JJADRN O=C(CCc1nc2cc(Cl)ccc2s1)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001449136105 1066985180 /nfs/dbraw/zinc/98/51/80/1066985180.db2.gz QJIKGTJMMJIOLB-KRWDZBQOSA-N 0 0 450.004 4.932 20 0 JJADRN COc1cc(CC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1O ZINC001546011751 1066985384 /nfs/dbraw/zinc/98/53/84/1066985384.db2.gz RATRAVJPNAYCSF-AREMUKBSSA-N 0 0 450.966 4.531 20 0 JJADRN CNc1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc(Cl)n1 ZINC001449144208 1066985477 /nfs/dbraw/zinc/98/54/77/1066985477.db2.gz CXJQHDGROKTDIV-INIZCTEOSA-N 0 0 451.796 4.555 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545728352 1066985484 /nfs/dbraw/zinc/98/54/84/1066985484.db2.gz KLKQIRMMGWHURN-NHCUHLMSSA-N 0 0 486.707 4.873 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1CC(C)(C)C1)c1ccccc1 ZINC001545728310 1066985561 /nfs/dbraw/zinc/98/55/61/1066985561.db2.gz JSINAUKROAAEQZ-TUACAJSNSA-N 0 0 481.685 4.624 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc(NC2CC2)n1 ZINC001449155208 1066985792 /nfs/dbraw/zinc/98/57/92/1066985792.db2.gz UQZVPKBIZXPABG-HXUWFJFHSA-N 0 0 457.416 4.742 20 0 JJADRN COc1ccc(CCCC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1OC ZINC001458138584 1066985825 /nfs/dbraw/zinc/98/58/25/1066985825.db2.gz ZYLWLMNKWIPXIE-FQEVSTJZSA-N 0 0 457.571 4.627 20 0 JJADRN CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CCN1CCOC[C@H]1C)c1ccccc1 ZINC001545728556 1066985946 /nfs/dbraw/zinc/98/59/46/1066985946.db2.gz NKWBYEOUHRHWJG-RCZVLFRGSA-N 0 0 453.675 4.946 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001458138438 1066985992 /nfs/dbraw/zinc/98/59/92/1066985992.db2.gz YTOKNITUUJKMEL-OAQYLSRUSA-N 0 0 454.514 4.899 20 0 JJADRN CN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC001458140705 1066986416 /nfs/dbraw/zinc/98/64/16/1066986416.db2.gz LAXFYWZIPQPFSY-JOCHJYFZSA-N 0 0 452.599 4.523 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N(C)c1ccccc1N(C)C ZINC001458142542 1066986755 /nfs/dbraw/zinc/98/67/55/1066986755.db2.gz CLIDUXYJCFCOMB-MRXNPFEDSA-N 0 0 450.364 4.979 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cnn1-c1cc(C)ccc1C ZINC001458142677 1066986847 /nfs/dbraw/zinc/98/68/47/1066986847.db2.gz NXHIBHYFKITCOF-SBUREZEXSA-N 0 0 454.933 4.748 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@H](c3ccncc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001449171301 1066986967 /nfs/dbraw/zinc/98/69/67/1066986967.db2.gz BRKFEBKQASPBCS-SFYKDHMMSA-N 0 0 457.977 4.968 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C2)cc1 ZINC001449168199 1066987036 /nfs/dbraw/zinc/98/70/36/1066987036.db2.gz XKIFHNTWCUUPKU-VQTJNVASSA-N 0 0 455.396 4.771 20 0 JJADRN C[C@H](NC(=O)CCc1ccc2ccccc2n1)c1nc(-c2ccc(Br)cc2)no1 ZINC001545729746 1066987128 /nfs/dbraw/zinc/98/71/28/1066987128.db2.gz KHCORHLDQNNXCN-AWEZNQCLSA-N 0 0 451.324 4.857 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]3CCCC[C@@]3(C)NC(=O)OC(C)(C)C)n2)cc1 ZINC001545730420 1066987497 /nfs/dbraw/zinc/98/74/97/1066987497.db2.gz ZETAEIHZHIPACP-RSLCBRBSSA-N 0 0 456.587 4.950 20 0 JJADRN Cc1sc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1Br ZINC001458146353 1066987522 /nfs/dbraw/zinc/98/75/22/1066987522.db2.gz WHEWUGFUCZFWFK-ZDUSSCGKSA-N 0 0 454.390 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545730464 1066987519 /nfs/dbraw/zinc/98/75/19/1066987519.db2.gz AIDXZXPJXOODJA-VHSZZVNMSA-N 0 0 470.658 4.655 20 0 JJADRN CC(C)[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1 ZINC001458146316 1066987679 /nfs/dbraw/zinc/98/76/79/1066987679.db2.gz JWMUYIKOUYUPCU-GOSISDBHSA-N 0 0 455.527 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545730478 1066987843 /nfs/dbraw/zinc/98/78/43/1066987843.db2.gz AOJNPEYKABJDKZ-XWSHUIEDSA-N 0 0 471.646 4.594 20 0 JJADRN COc1ccc(-n2nnc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cn3)c2C)cc1 ZINC001458147892 1066988239 /nfs/dbraw/zinc/98/82/39/1066988239.db2.gz PLCWBFBYBHVFFR-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cs1 ZINC001458148246 1066988403 /nfs/dbraw/zinc/98/84/03/1066988403.db2.gz PLIBGYZCQLVUGL-UHFFFAOYSA-N 0 0 451.474 4.513 20 0 JJADRN COCc1nc(C)cc(N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)n1 ZINC001458150817 1066988649 /nfs/dbraw/zinc/98/86/49/1066988649.db2.gz GDESDBQJXIGMFQ-HXUWFJFHSA-N 0 0 459.319 4.625 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCCOC)c1ccccc1 ZINC001545730793 1066988744 /nfs/dbraw/zinc/98/87/44/1066988744.db2.gz GDKBBGLCXDCARD-KSEOMHKRSA-N 0 0 471.646 4.596 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCCCCSC)c1ccccc1 ZINC001545730760 1066988893 /nfs/dbraw/zinc/98/88/93/1066988893.db2.gz FPRGBBALVWAGFW-QFZWGZQFSA-N 0 0 458.672 4.738 20 0 JJADRN CC[C@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546012036 1066988870 /nfs/dbraw/zinc/98/88/70/1066988870.db2.gz ARNDUYGZLRSYFN-QLDGJZPUSA-N 0 0 473.593 4.534 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001449199681 1066988892 /nfs/dbraw/zinc/98/88/92/1066988892.db2.gz VLRGCTFMWITGCW-OAQYLSRUSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001449199675 1066988939 /nfs/dbraw/zinc/98/89/39/1066988939.db2.gz VLRGCTFMWITGCW-NRFANRHFSA-N 0 0 458.990 4.697 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001546012055 1066988953 /nfs/dbraw/zinc/98/89/53/1066988953.db2.gz BCJHCKIIUGYOFF-JQVVWYNYSA-N 0 0 487.645 4.794 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NC[C@H](O)Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449202581 1066988970 /nfs/dbraw/zinc/98/89/70/1066988970.db2.gz JKCIIFNLOOBNJN-QJUACMODSA-N 0 0 458.583 4.955 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)OCc3cn(-c4ccccc4Cl)nn3)s2)c(F)c1 ZINC001458151841 1066989045 /nfs/dbraw/zinc/98/90/45/1066989045.db2.gz VPVUSRGBEMDBFR-UHFFFAOYSA-N 0 0 458.902 4.857 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545730935 1066989249 /nfs/dbraw/zinc/98/92/49/1066989249.db2.gz IAODVJMKCWSLSE-UEVCKROQSA-N 0 0 481.666 4.620 20 0 JJADRN O=C(Nc1ccc(OCCCO)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001449208138 1066989222 /nfs/dbraw/zinc/98/92/22/1066989222.db2.gz YICFGQQHFHLFCG-XNMGPUDCSA-N 0 0 458.558 4.566 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1 ZINC001458153564 1066989627 /nfs/dbraw/zinc/98/96/27/1066989627.db2.gz UNCVKFARAMWBNS-UHFFFAOYSA-N 0 0 450.568 4.532 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cc1 ZINC001449218081 1066989996 /nfs/dbraw/zinc/98/99/96/1066989996.db2.gz MPHLFDNMGBIBGH-IEZWGBDMSA-N 0 0 458.521 4.881 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545731279 1066990092 /nfs/dbraw/zinc/99/00/92/1066990092.db2.gz MHXKHAMGGWFJIF-RZUBCFFCSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154601 1066990183 /nfs/dbraw/zinc/99/01/83/1066990183.db2.gz OMEMKPQZPKMLRW-DVECYGJZSA-N 0 0 451.611 4.718 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)cc1 ZINC001449223380 1066990526 /nfs/dbraw/zinc/99/05/26/1066990526.db2.gz UVQYHHOVCAPUMS-LPHOPBHVSA-N 0 0 459.384 4.509 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155723 1066990767 /nfs/dbraw/zinc/99/07/67/1066990767.db2.gz RDLBXPOKSHERPT-WZONZLPQSA-N 0 0 459.034 4.846 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)c1O ZINC001449225567 1066990821 /nfs/dbraw/zinc/99/08/21/1066990821.db2.gz XTXSEVOGLXOBQP-UHFFFAOYSA-N 0 0 458.095 4.982 20 0 JJADRN O=C(CCCC(=O)N1CCCC[C@H]1COC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001449227483 1066990965 /nfs/dbraw/zinc/99/09/65/1066990965.db2.gz UYWMSMCFRGWYPP-KRWDZBQOSA-N 0 0 455.382 4.960 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)c1ccccc1 ZINC001545731830 1066991527 /nfs/dbraw/zinc/99/15/27/1066991527.db2.gz SXBPSWXJSFQRIB-BFYDXBDKSA-N 0 0 496.965 4.888 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546012287 1066991879 /nfs/dbraw/zinc/99/18/79/1066991879.db2.gz FYRZABUILWLGMN-VQTJNVASSA-N 0 0 489.686 4.719 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546097579 1066992107 /nfs/dbraw/zinc/99/21/07/1066992107.db2.gz MUADWNPHVKICJI-KAYWLYCHSA-N 0 0 454.659 4.790 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)NC(C)(C)COc1ncccc1Br ZINC001458158752 1066992318 /nfs/dbraw/zinc/99/23/18/1066992318.db2.gz QZMZGHSQAJAAOC-UHFFFAOYSA-N 0 0 457.315 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449247196 1066992605 /nfs/dbraw/zinc/99/26/05/1066992605.db2.gz WBMIADHTMWSLDK-DNVCBOLYSA-N 0 0 459.414 4.960 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545732016 1066993102 /nfs/dbraw/zinc/99/31/02/1066993102.db2.gz WJMMCAXANCYJGE-VYFVWBTQSA-N 0 0 483.657 4.594 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 ZINC001546097646 1066993543 /nfs/dbraw/zinc/99/35/43/1066993543.db2.gz NOISKJBEEIAFJE-XMMPIXPASA-N 0 0 473.543 4.921 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(Cl)cc(Br)c1F ZINC001449263159 1066993687 /nfs/dbraw/zinc/99/36/87/1066993687.db2.gz SQLVBTSDMDLNMG-UHFFFAOYSA-N 0 0 458.118 4.653 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC1(SC)CCOCC1)c1ccccc1 ZINC001545732270 1066993660 /nfs/dbraw/zinc/99/36/60/1066993660.db2.gz ZSVJCJFWHLFSIR-RTWAWAEBSA-N 0 0 458.672 4.593 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)CCc3cc4ccccc4[nH]c3=O)c2)c1 ZINC001449262740 1066993817 /nfs/dbraw/zinc/99/38/17/1066993817.db2.gz JJFIQIFFZGONPF-UHFFFAOYSA-N 0 0 458.514 4.999 20 0 JJADRN CCN(c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)cc1)C(C)C ZINC001458165498 1066994022 /nfs/dbraw/zinc/99/40/22/1066994022.db2.gz AHSAUGKFCMHQBF-KSSFIOAISA-N 0 0 450.461 4.845 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCc2cc(C)ccc2OC(F)F)cc1 ZINC001545732514 1066994041 /nfs/dbraw/zinc/99/40/41/1066994041.db2.gz GUGCVPZKPWRJES-INIZCTEOSA-N 0 0 452.299 4.508 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001545732460 1066994118 /nfs/dbraw/zinc/99/41/18/1066994118.db2.gz FCULZMFQGJYDTG-CABCVRRESA-N 0 0 455.393 4.532 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC001449266222 1066994103 /nfs/dbraw/zinc/99/41/03/1066994103.db2.gz RCRTUAJDLRCCQS-QHCPKHFHSA-N 0 0 450.922 4.953 20 0 JJADRN Cc1ccc(Br)c(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC001458167942 1066994241 /nfs/dbraw/zinc/99/42/41/1066994241.db2.gz GWTBKERXEJAKBI-IINYFYTJSA-N 0 0 458.234 4.681 20 0 JJADRN COCCC[C@@H](CNC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001449271189 1066994691 /nfs/dbraw/zinc/99/46/91/1066994691.db2.gz TYFFKLWUDKZGJV-SFHVURJKSA-N 0 0 456.986 4.706 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545733511 1066994896 /nfs/dbraw/zinc/99/48/96/1066994896.db2.gz COMUTRQJNDHXJK-SMIHKQSGSA-N 0 0 468.642 4.661 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545733513 1066994942 /nfs/dbraw/zinc/99/49/42/1066994942.db2.gz COMUTRQJNDHXJK-WXFUMESZSA-N 0 0 468.642 4.661 20 0 JJADRN CC[C@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545733547 1066995301 /nfs/dbraw/zinc/99/53/01/1066995301.db2.gz DDGPFCXAYRXPMW-REWPJTCUSA-N 0 0 477.531 4.694 20 0 JJADRN COc1cccc(C2(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4)ccc3Cl)CC2)c1 ZINC001449283116 1066995390 /nfs/dbraw/zinc/99/53/90/1066995390.db2.gz GWQSEDYPOHFUTN-UHFFFAOYSA-N 0 0 456.951 4.569 20 0 JJADRN Cc1[nH+][n-]c2nnc(NC(=O)c3cccnc3Sc3ccc(Br)cc3)c-2c1C ZINC001449282342 1066995465 /nfs/dbraw/zinc/99/54/65/1066995465.db2.gz YJBULVALQXMPNJ-UHFFFAOYSA-N 0 0 455.341 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2ncc(-c3ccccn3)s2)CC1 ZINC001449283490 1066995474 /nfs/dbraw/zinc/99/54/74/1066995474.db2.gz VBAZFORUAQNPOA-UHFFFAOYSA-N 0 0 455.540 4.560 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)c1C ZINC001449287988 1066995891 /nfs/dbraw/zinc/99/58/91/1066995891.db2.gz AVFZMGLMABJELX-UHFFFAOYSA-N 0 0 455.599 4.688 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnc1N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C ZINC001458172331 1066995921 /nfs/dbraw/zinc/99/59/21/1066995921.db2.gz PJVBJWNSGMBKED-HZUKXOBISA-N 0 0 457.836 4.807 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)C(C)(C)c3cccc(C(F)(F)F)c3)CC2)c1C ZINC001449297799 1066996173 /nfs/dbraw/zinc/99/61/73/1066996173.db2.gz KKXKUMJXJOTMNZ-UHFFFAOYSA-N 0 0 451.489 4.528 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC001458173697 1066996257 /nfs/dbraw/zinc/99/62/57/1066996257.db2.gz JZDRWVPRHSCNOV-NJSLBKSFSA-N 0 0 451.445 4.574 20 0 JJADRN CNC(=O)Nc1cc(NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)ccc1F ZINC001449298932 1066996380 /nfs/dbraw/zinc/99/63/80/1066996380.db2.gz QDDSFSRYBSVMOH-UHFFFAOYSA-N 0 0 452.177 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)C1 ZINC001449298490 1066996389 /nfs/dbraw/zinc/99/63/89/1066996389.db2.gz LTZMPXLISMDYLP-HKUYNNGSSA-N 0 0 458.496 4.967 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)COC)c1ccccc1 ZINC001545734071 1066996702 /nfs/dbraw/zinc/99/67/02/1066996702.db2.gz MTKNFZASTFNNRT-VWLOTQADSA-N 0 0 495.712 4.968 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001458174818 1066996783 /nfs/dbraw/zinc/99/67/83/1066996783.db2.gz SHIJZNVZAJHQSM-KCWPFWIISA-N 0 0 450.579 4.571 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c1C ZINC001449302831 1066996705 /nfs/dbraw/zinc/99/67/05/1066996705.db2.gz RWSMUKMARKOZOP-ZWKOTPCHSA-N 0 0 450.366 4.642 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001449306062 1066996961 /nfs/dbraw/zinc/99/69/61/1066996961.db2.gz CZGCZYASOSCZDD-VQTJNVASSA-N 0 0 480.447 4.571 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Oc1cccc(F)c1I ZINC001458176155 1066997167 /nfs/dbraw/zinc/99/71/67/1066997167.db2.gz RKVBVEARVJDKCW-SECBINFHSA-N 0 0 454.157 4.822 20 0 JJADRN Fc1cc(Oc2ncnc3cc(I)sc32)ccc1Br ZINC001458175976 1066997260 /nfs/dbraw/zinc/99/72/60/1066997260.db2.gz WCLXIGXUFNMTOF-UHFFFAOYSA-N 0 0 451.058 4.990 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)CCCC2)c1 ZINC001458176431 1066997476 /nfs/dbraw/zinc/99/74/76/1066997476.db2.gz TYBKFRLAWTZCRO-FQEVSTJZSA-N 0 0 459.583 4.948 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545734452 1066997624 /nfs/dbraw/zinc/99/76/24/1066997624.db2.gz SSNHCEWBTFXQJB-AUSIDOKSSA-N 0 0 466.548 4.575 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545734468 1066997755 /nfs/dbraw/zinc/99/77/55/1066997755.db2.gz SUFSZUNKFFFAHD-RDGATRHJSA-N 0 0 451.659 4.951 20 0 JJADRN Cc1nc(Br)sc1C(=O)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001458177312 1066997995 /nfs/dbraw/zinc/99/79/95/1066997995.db2.gz XZCCDKJZYWWDDE-UHFFFAOYSA-N 0 0 453.358 4.726 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546013050 1066998292 /nfs/dbraw/zinc/99/82/92/1066998292.db2.gz SYTQRHGMWDNEEC-XUVXKRRUSA-N 0 0 489.686 4.799 20 0 JJADRN CC1(C)C[C@H](C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c2ccccc2O1 ZINC001449311632 1066998452 /nfs/dbraw/zinc/99/84/52/1066998452.db2.gz FPDBDULZOMGYPK-SFHVURJKSA-N 0 0 458.356 4.612 20 0 JJADRN COc1ccc(Cl)cc1CCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC001458180526 1066998678 /nfs/dbraw/zinc/99/86/78/1066998678.db2.gz VBINYDXMYVXHJW-UHFFFAOYSA-N 0 0 459.255 4.616 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545735652 1066998922 /nfs/dbraw/zinc/99/89/22/1066998922.db2.gz DUZIIQOSUJBXKG-TXTKFYIRSA-N 0 0 453.631 4.781 20 0 JJADRN CCC(C)(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc1 ZINC001458182930 1066998935 /nfs/dbraw/zinc/99/89/35/1066998935.db2.gz UWWWMDTZKNNJDK-UHFFFAOYSA-N 0 0 451.032 4.987 20 0 JJADRN Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Br)nnn1-c1cccc2ncccc21 ZINC001458183341 1066999035 /nfs/dbraw/zinc/99/90/35/1066999035.db2.gz NCGIEEMLFALKFZ-AWEZNQCLSA-N 0 0 450.340 4.720 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001449324407 1066999155 /nfs/dbraw/zinc/99/91/55/1066999155.db2.gz YMWRPBFXZKMJFS-QGZVFWFLSA-N 0 0 459.160 4.779 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCCO[C@@H]1CCOC1)c1ccccc1 ZINC001545735955 1066999209 /nfs/dbraw/zinc/99/92/09/1066999209.db2.gz JALSRYJXVWRKHO-NHCUHLMSSA-N 0 0 489.458 4.895 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCCO[C@H]1CCOC1)c1ccccc1 ZINC001545735954 1066999449 /nfs/dbraw/zinc/99/94/49/1066999449.db2.gz JALSRYJXVWRKHO-LEWJYISDSA-N 0 0 489.458 4.895 20 0 JJADRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001449325869 1066999627 /nfs/dbraw/zinc/99/96/27/1066999627.db2.gz LRXUIBMQWZJQLG-QPPBQGQZSA-N 0 0 450.623 4.882 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC001449325141 1066999655 /nfs/dbraw/zinc/99/96/55/1066999655.db2.gz LNEQITDKUZBSHQ-SFHVURJKSA-N 0 0 450.913 4.685 20 0 JJADRN COc1cc(F)c([C@H](C)Nc2ncnc3ccc(I)cc32)cc1OC ZINC001458185295 1066999688 /nfs/dbraw/zinc/99/96/88/1066999688.db2.gz ZPXPXXZMDOOACH-JTQLQIEISA-N 0 0 453.255 4.564 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(NCC[C@H](C)c3ccc(OC)cc3)c2c1C ZINC001458185015 1066999708 /nfs/dbraw/zinc/99/97/08/1066999708.db2.gz KCCZQYPCOZNDBG-HNNXBMFYSA-N 0 0 456.612 4.852 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545736104 1066999722 /nfs/dbraw/zinc/99/97/22/1066999722.db2.gz KXWSVIBFULDHIT-HSZRJFAPSA-N 0 0 481.685 4.722 20 0 JJADRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001458185118 1066999747 /nfs/dbraw/zinc/99/97/47/1066999747.db2.gz OHDCBKBQKUCBHQ-UHFFFAOYSA-N 0 0 459.497 4.651 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)(C)CC2)n1CC[C@@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545736049 1066999820 /nfs/dbraw/zinc/99/98/20/1066999820.db2.gz KGJORPKFPXCKSZ-YADHBBJMSA-N 0 0 475.628 4.802 20 0 JJADRN Cn1ccnc1[C@@H](CC(=O)NCC1(c2ccc(Br)s2)CCC1)C(F)(F)F ZINC001449326547 1067000077 /nfs/dbraw/zinc/00/00/77/1067000077.db2.gz YHUIWLQSISJIPO-LLVKDONJSA-N 0 0 450.324 4.518 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)(C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545736362 1067000217 /nfs/dbraw/zinc/00/02/17/1067000217.db2.gz PKOLBIWRXODESG-LEWJYISDSA-N 0 0 479.591 4.710 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001458185465 1067000105 /nfs/dbraw/zinc/00/01/05/1067000105.db2.gz CNMAYFJDYAFKNF-UHFFFAOYSA-N 0 0 457.505 4.962 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2C[C@H](OC)C2(CC)CC)cc1 ZINC001458186760 1067000126 /nfs/dbraw/zinc/00/01/26/1067000126.db2.gz BKTRJEQFFNXEGV-PKTZIBPZSA-N 0 0 458.624 4.568 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1Cc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC001545736659 1067000712 /nfs/dbraw/zinc/00/07/12/1067000712.db2.gz UAFRMYMRIPMADY-SDUSCBPUSA-N 0 0 476.669 4.971 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC001458189640 1067000865 /nfs/dbraw/zinc/00/08/65/1067000865.db2.gz YPTAFIBVEFHGEG-UHFFFAOYSA-N 0 0 455.551 4.590 20 0 JJADRN O=C(NCc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1)c1ccc(Br)cc1 ZINC001458190251 1067000909 /nfs/dbraw/zinc/00/09/09/1067000909.db2.gz IUZYCUQTYXNZOZ-UHFFFAOYSA-N 0 0 451.246 4.932 20 0 JJADRN CCOC(=O)CN(C(=O)Cc1ccc(F)cc1Cl)[C@H](C)c1cccc(Br)c1 ZINC001458189704 1067000929 /nfs/dbraw/zinc/00/09/29/1067000929.db2.gz ZFGBQRGSQSNBPF-CYBMUJFWSA-N 0 0 456.739 4.937 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCC[C@](C)(c3ccccc3)CC2)cc1 ZINC001449332498 1067000894 /nfs/dbraw/zinc/00/08/94/1067000894.db2.gz HNFFGMXGQAYWBO-BVAGGSTKSA-N 0 0 452.620 4.571 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545736731 1067000877 /nfs/dbraw/zinc/00/08/77/1067000877.db2.gz UXGDXWGJCUDZRR-RCUPCANXSA-N 0 0 496.521 4.910 20 0 JJADRN C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC001449336288 1067001198 /nfs/dbraw/zinc/00/11/98/1067001198.db2.gz NMXXODOBCIWHNL-KOSHJBKYSA-N 0 0 455.396 4.772 20 0 JJADRN O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)C1 ZINC001449336007 1067001241 /nfs/dbraw/zinc/00/12/41/1067001241.db2.gz WQAMOGVTOGZTKR-LJQANCHMSA-N 0 0 451.533 4.808 20 0 JJADRN CC(C)(C)S(=O)(=O)CCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC001458193944 1067001282 /nfs/dbraw/zinc/00/12/82/1067001282.db2.gz HDKSQMKDMPMAKY-UHFFFAOYSA-N 0 0 454.415 4.746 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545736950 1067001278 /nfs/dbraw/zinc/00/12/78/1067001278.db2.gz XSTVUJHMFSJGAG-KRWDZBQOSA-N 0 0 450.534 4.807 20 0 JJADRN CS[C@H](C)CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC001458195584 1067001544 /nfs/dbraw/zinc/00/15/44/1067001544.db2.gz WNZMIFURUVEZAN-LJQANCHMSA-N 0 0 454.617 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC001449343817 1067001867 /nfs/dbraw/zinc/00/18/67/1067001867.db2.gz IDVQROBDFVFZRV-CTNGQTDRSA-N 0 0 451.007 4.961 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)c1 ZINC001545737803 1067001836 /nfs/dbraw/zinc/00/18/36/1067001836.db2.gz SYMZHWRJWZMDRI-FQEVSTJZSA-N 0 0 455.407 4.953 20 0 JJADRN CCOC(=O)CN(C(=O)CCc1cccc(F)c1F)[C@@H](C)c1cccc(Br)c1 ZINC001458198971 1067002140 /nfs/dbraw/zinc/00/21/40/1067002140.db2.gz FLPXZXLZGNJYSM-AWEZNQCLSA-N 0 0 454.311 4.813 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545738403 1067002539 /nfs/dbraw/zinc/00/25/39/1067002539.db2.gz HMNUNGQFDPQANY-FQEVSTJZSA-N 0 0 465.564 4.857 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1OCc1ccc(Cl)cc1 ZINC001449356013 1067002641 /nfs/dbraw/zinc/00/26/41/1067002641.db2.gz MIBZTOJQZVQTSR-AEFFLSMTSA-N 0 0 457.876 4.561 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545738585 1067002865 /nfs/dbraw/zinc/00/28/65/1067002865.db2.gz KQEMQQHOWNJHEP-FUPPJEDESA-N 0 0 483.657 4.598 20 0 JJADRN CCOC(=O)CN(C(=O)[C@H](C)Cc1cccc(F)c1)[C@H](C)c1cccc(Br)c1 ZINC001458207329 1067002941 /nfs/dbraw/zinc/00/29/41/1067002941.db2.gz XLRFAQMVEAXUIL-HZPDHXFCSA-N 0 0 450.348 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545738588 1067002947 /nfs/dbraw/zinc/00/29/47/1067002947.db2.gz KQEMQQHOWNJHEP-QZNHQXDQSA-N 0 0 483.657 4.598 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(=O)NC)CC2)n1CCC[C@H]1CCCCO1)c1ccccc1 ZINC001545738616 1067003253 /nfs/dbraw/zinc/00/32/53/1067003253.db2.gz LDRFOEYRCGREHI-DNQXCXABSA-N 0 0 467.658 4.522 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3nc(C)no3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545738601 1067003390 /nfs/dbraw/zinc/00/33/90/1067003390.db2.gz KWZOMLOFXAXEBZ-NRFANRHFSA-N 0 0 452.603 4.711 20 0 JJADRN CCCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(OCc2ccccc2)c1 ZINC001449359068 1067003456 /nfs/dbraw/zinc/00/34/56/1067003456.db2.gz WVYXKZDRSXMENR-GHTZIAJQSA-N 0 0 451.485 4.687 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CCCCC1 ZINC001449357764 1067003529 /nfs/dbraw/zinc/00/35/29/1067003529.db2.gz NLFYNLHQONJQFO-QHCPKHFHSA-N 0 0 452.595 4.976 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1C[C@@](C)(O)C(C)C)c1ccccc1 ZINC001545738840 1067003661 /nfs/dbraw/zinc/00/36/61/1067003661.db2.gz PEXKYHCIXCLKJQ-RPLLCQBOSA-N 0 0 464.658 4.827 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738842 1067003716 /nfs/dbraw/zinc/00/37/16/1067003716.db2.gz PEXKYHCIXCLKJQ-SQHAQQRYSA-N 0 0 464.658 4.827 20 0 JJADRN Cc1ccc(OCCCC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(Cl)c1 ZINC001458210604 1067003769 /nfs/dbraw/zinc/00/37/69/1067003769.db2.gz DKVDMTAPIGEATC-CMKODMSKSA-N 0 0 451.007 4.959 20 0 JJADRN COC(=O)c1ccn(CCCC(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)n1 ZINC001458212281 1067003819 /nfs/dbraw/zinc/00/38/19/1067003819.db2.gz DQTPZRDGXJJDML-UHFFFAOYSA-N 0 0 452.511 4.813 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545738858 1067003949 /nfs/dbraw/zinc/00/39/49/1067003949.db2.gz PHBIWQLZKXUFSE-WXFUMESZSA-N 0 0 497.684 4.940 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CC1 ZINC001458212475 1067004128 /nfs/dbraw/zinc/00/41/28/1067004128.db2.gz GSVJPSISRBUXAT-UHFFFAOYSA-N 0 0 450.485 4.888 20 0 JJADRN COc1ccc([C@@H](Nc2ncnc3sc(C)c(C)c32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458212535 1067004134 /nfs/dbraw/zinc/00/41/34/1067004134.db2.gz XQGONIGXTFFTAT-OAQYLSRUSA-N 0 0 453.589 4.922 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545738959 1067004263 /nfs/dbraw/zinc/00/42/63/1067004263.db2.gz QZRGSEGDCHHEIA-BJKOFHAPSA-N 0 0 497.684 4.940 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545739055 1067004435 /nfs/dbraw/zinc/00/44/35/1067004435.db2.gz SDQGSZYFTYCJCZ-NFBKMPQASA-N 0 0 493.618 4.957 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC001458213875 1067004451 /nfs/dbraw/zinc/00/44/51/1067004451.db2.gz MIVHXZHNKXIBIT-DZKIICNBSA-N 0 0 450.295 4.928 20 0 JJADRN C[C@H](Nc1ncnc2ccc(I)cc21)[C@@H](O)c1c(F)cccc1Cl ZINC001458214284 1067004918 /nfs/dbraw/zinc/00/49/18/1067004918.db2.gz YEZJALCXSCFEFR-XXFAHNHDSA-N 0 0 457.674 4.561 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001449368948 1067004958 /nfs/dbraw/zinc/00/49/58/1067004958.db2.gz JYYRNJBNHLBYTH-FUHWJXTLSA-N 0 0 454.514 4.556 20 0 JJADRN CC[C@H](c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545739406 1067005104 /nfs/dbraw/zinc/00/51/04/1067005104.db2.gz ZNIYAHOKXARKJS-GOTSBHOMSA-N 0 0 467.658 4.520 20 0 JJADRN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1Br ZINC001458216292 1067005318 /nfs/dbraw/zinc/00/53/18/1067005318.db2.gz ZYSPZUYVUNTCDG-LZWOXQAQSA-N 0 0 455.368 4.662 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001458217327 1067005585 /nfs/dbraw/zinc/00/55/85/1067005585.db2.gz YNMMAJUYWPKHFH-VUOMYYKYSA-N 0 0 453.377 4.597 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OCC(C)C)CCO1 ZINC001546098136 1067005615 /nfs/dbraw/zinc/00/56/15/1067005615.db2.gz XVQFRUVFJPJKAP-VWLOTQADSA-N 0 0 469.655 4.722 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545740612 1067005839 /nfs/dbraw/zinc/00/58/39/1067005839.db2.gz APAPGAIYPZAVMM-UYAOXDASSA-N 0 0 476.452 4.978 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001449378634 1067005760 /nfs/dbraw/zinc/00/57/60/1067005760.db2.gz ZJLPBESTCPOIQI-QFIPXVFZSA-N 0 0 456.464 4.757 20 0 JJADRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001449388323 1067006002 /nfs/dbraw/zinc/00/60/02/1067006002.db2.gz JEQYZRRZHLJKGU-IBGZPJMESA-N 0 0 450.539 4.870 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](Nc3ncncc3-c3ccc(Br)cc3)C2)c1 ZINC001458219373 1067006257 /nfs/dbraw/zinc/00/62/57/1067006257.db2.gz IRKVZTHUONXFAB-KRWDZBQOSA-N 0 0 455.356 4.614 20 0 JJADRN CC(C)(C)Oc1c(F)cc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1F ZINC001458221419 1067006497 /nfs/dbraw/zinc/00/64/97/1067006497.db2.gz GSHXKKLGPJQDSK-UHFFFAOYSA-N 0 0 451.271 4.738 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccoc1)c1ccccc1 ZINC001545740930 1067006481 /nfs/dbraw/zinc/00/64/81/1067006481.db2.gz GPHNAAWYKRMMGJ-YADHBBJMSA-N 0 0 465.598 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545740838 1067006495 /nfs/dbraw/zinc/00/64/95/1067006495.db2.gz FCWMLNRPRALBRK-JMJGKCIBSA-N 0 0 483.657 4.691 20 0 JJADRN COC(=O)c1cnc(N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F ZINC001458220320 1067006566 /nfs/dbraw/zinc/00/65/66/1067006566.db2.gz MSYVFVDLYGBLAU-UHFFFAOYSA-N 0 0 457.493 4.503 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@@H]2CCO)nnc1-c1ccc(Cl)cc1Cl ZINC001449399721 1067006813 /nfs/dbraw/zinc/00/68/13/1067006813.db2.gz GSJOZUSWGMEVAA-OAHLLOKOSA-N 0 0 457.427 4.518 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545741024 1067006957 /nfs/dbraw/zinc/00/69/57/1067006957.db2.gz ILONANCVTPVYGW-KCWPFWIISA-N 0 0 495.693 4.530 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545740946 1067006968 /nfs/dbraw/zinc/00/69/68/1067006968.db2.gz GZSHELACOSKQMO-IEBWSBKVSA-N 0 0 471.518 4.940 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(C)=O)CC2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545741118 1067007104 /nfs/dbraw/zinc/00/71/04/1067007104.db2.gz KEOXWDVEAJHPNG-LJQANCHMSA-N 0 0 451.537 4.513 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCCCS1)c1ccccc1 ZINC001545741093 1067007228 /nfs/dbraw/zinc/00/72/28/1067007228.db2.gz JUPGPOOOWQVSLY-DHIUTWEWSA-N 0 0 469.699 4.847 20 0 JJADRN CCC[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC001449404653 1067007337 /nfs/dbraw/zinc/00/73/37/1067007337.db2.gz NIPGLKFZNYDURQ-BWKNWUBXSA-N 0 0 453.970 4.765 20 0 JJADRN CC[C@H](Cn1c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546014022 1067007465 /nfs/dbraw/zinc/00/74/65/1067007465.db2.gz ABLPUZZAUQDORE-ZJSXRUAMSA-N 0 0 481.685 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ncccc3NCC3CCC3)c2F)C1 ZINC001449404867 1067007491 /nfs/dbraw/zinc/00/74/91/1067007491.db2.gz SRRSLEVVJRHWDX-UHFFFAOYSA-N 0 0 454.546 4.978 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001458228346 1067007674 /nfs/dbraw/zinc/00/76/74/1067007674.db2.gz HSKADXWDWWLBGU-RUZDIDTESA-N 0 0 455.603 4.657 20 0 JJADRN CCOC(=O)[C@@H](CC)Sc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458229344 1067007894 /nfs/dbraw/zinc/00/78/94/1067007894.db2.gz KTMOWAVODKPBFW-GOSISDBHSA-N 0 0 457.621 4.624 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1)OC ZINC001546014025 1067007789 /nfs/dbraw/zinc/00/77/89/1067007789.db2.gz AEQLXBDQYNLDTC-BXXSPATCSA-N 0 0 483.657 4.776 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001545741391 1067007816 /nfs/dbraw/zinc/00/78/16/1067007816.db2.gz PHYQIMBONYPOQK-VGOFRKELSA-N 0 0 453.414 4.507 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(C)=O)CC2)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545741403 1067007845 /nfs/dbraw/zinc/00/78/45/1067007845.db2.gz PRMTWGVYISPWPZ-JOCHJYFZSA-N 0 0 457.688 4.847 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)CCc1ccc(Br)cc1 ZINC001458230896 1067008192 /nfs/dbraw/zinc/00/81/92/1067008192.db2.gz MTXRYGNEUUEZPT-UHFFFAOYSA-N 0 0 455.190 4.902 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(O)c(F)c2)c1 ZINC001449410199 1067008091 /nfs/dbraw/zinc/00/80/91/1067008091.db2.gz LEVZJUFVBKQLBX-UHFFFAOYSA-N 0 0 456.539 4.708 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@]1(O)CCSC1)c1ccccc1 ZINC001545741515 1067008106 /nfs/dbraw/zinc/00/81/06/1067008106.db2.gz RROPFDAEDFOTOO-IIBYNOLFSA-N 0 0 453.439 4.587 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@]1(O)CCSC1)c1ccccc1 ZINC001545741516 1067008194 /nfs/dbraw/zinc/00/81/94/1067008194.db2.gz RROPFDAEDFOTOO-KKSFZXQISA-N 0 0 453.439 4.587 20 0 JJADRN COc1ccc(-c2csc3ncnc(NCc4cc(F)ccc4CS(C)(=O)=O)c23)cc1 ZINC001458232467 1067008457 /nfs/dbraw/zinc/00/84/57/1067008457.db2.gz QKEMWUUFNNJUGS-UHFFFAOYSA-N 0 0 457.552 4.663 20 0 JJADRN CON(CC1CCOCC1)C(=O)c1cccnc1SCc1ccc(Br)cc1 ZINC001449412016 1067008615 /nfs/dbraw/zinc/00/86/15/1067008615.db2.gz NBRUSYYIVNJUQP-UHFFFAOYSA-N 0 0 451.386 4.567 20 0 JJADRN CN(c1ccccc1NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)C1CCCC1 ZINC001545742402 1067008895 /nfs/dbraw/zinc/00/88/95/1067008895.db2.gz MXYOURVNWBSVQO-UHFFFAOYSA-N 0 0 450.564 4.661 20 0 JJADRN COCCN(CCC(=O)OC)c1nc(/C=C/c2ccccc2)nc2sc3c(c21)CCCC3 ZINC001458234093 1067008933 /nfs/dbraw/zinc/00/89/33/1067008933.db2.gz 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481.685 4.862 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1)[C@@H](C)O ZINC001449420903 1067009273 /nfs/dbraw/zinc/00/92/73/1067009273.db2.gz ANKGYFDUWRXYTK-WXTAPIANSA-N 0 0 458.558 4.615 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1c(Cl)nccc1C(F)(F)F ZINC001458234567 1067009451 /nfs/dbraw/zinc/00/94/51/1067009451.db2.gz XHWQDSIYLZNEGA-UHFFFAOYSA-N 0 0 451.670 4.888 20 0 JJADRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001458236383 1067009593 /nfs/dbraw/zinc/00/95/93/1067009593.db2.gz UADHDJWYIBMQFL-UHFFFAOYSA-N 0 0 456.832 4.990 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2=O)CC1)OC ZINC001546014272 1067009676 /nfs/dbraw/zinc/00/96/76/1067009676.db2.gz FMPNAVKUIDCPLB-HXUWFJFHSA-N 0 0 492.089 4.630 20 0 JJADRN CC[C@H](c1nnc(N2CCC3(C2)CCOCC3)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743333 1067009882 /nfs/dbraw/zinc/00/98/82/1067009882.db2.gz HYIYJOORNYLZJG-GGAORHGYSA-N 0 0 497.684 4.988 20 0 JJADRN Cc1onc(-c2ccncc2)c1C(=O)Nc1c(Br)cc(F)cc1Br ZINC001458241450 1067009964 /nfs/dbraw/zinc/00/99/64/1067009964.db2.gz CEKIBCLJPWIYKN-UHFFFAOYSA-N 0 0 455.081 4.961 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC)Oc1ccccc1F ZINC001546014355 1067009981 /nfs/dbraw/zinc/00/99/81/1067009981.db2.gz HAHRLTNCJLYJLU-FGTMMUONSA-N 0 0 461.582 4.502 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc(NC(=O)OC(C)(C)C)c1 ZINC001449458856 1067010102 /nfs/dbraw/zinc/01/01/02/1067010102.db2.gz BBSMKDZBBLOENQ-UHFFFAOYSA-N 0 0 453.568 4.682 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OC(C)C)CC2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545743731 1067010005 /nfs/dbraw/zinc/01/00/05/1067010005.db2.gz PZWJZTKTAHKCKG-QFIPXVFZSA-N 0 0 452.603 4.538 20 0 JJADRN CN(C)c1cc(C(=O)Nc2c(Br)cc(F)cc2Br)cc(Cl)n1 ZINC001458242578 1067010502 /nfs/dbraw/zinc/01/05/02/1067010502.db2.gz GJBLITGODISJLF-UHFFFAOYSA-N 0 0 451.521 4.717 20 0 JJADRN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001449469346 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CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001546014756 1067011673 /nfs/dbraw/zinc/01/16/73/1067011673.db2.gz NLRHPGQPWDAFET-SIBVEZHUSA-N 0 0 487.645 4.795 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@@H]1CCC[C@H]1C)c1ccccc1 ZINC001545744314 1067011765 /nfs/dbraw/zinc/01/17/65/1067011765.db2.gz ZVXQPASQMIOMDD-UNWVZKJWSA-N 0 0 458.672 4.660 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCOC)c1ccccc1 ZINC001545745473 1067012116 /nfs/dbraw/zinc/01/21/16/1067012116.db2.gz BNWFCSMRPOHSSN-BAGYTPMASA-N 0 0 471.646 4.596 20 0 JJADRN CCCc1c(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1cccc(C)c1 ZINC001458251546 1067012201 /nfs/dbraw/zinc/01/22/01/1067012201.db2.gz BQEZJQMEXSCWMB-UHFFFAOYSA-N 0 0 454.615 4.900 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCOC)c1ccccc1 ZINC001545745474 1067012170 /nfs/dbraw/zinc/01/21/70/1067012170.db2.gz BNWFCSMRPOHSSN-CEMLEFRQSA-N 0 0 471.646 4.596 20 0 JJADRN 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CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC001458252936 1067012826 /nfs/dbraw/zinc/01/28/26/1067012826.db2.gz MRPBYJPRXOEBKU-OAQYLSRUSA-N 0 0 459.631 4.618 20 0 JJADRN CS(C)(=O)=Nc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458253729 1067013170 /nfs/dbraw/zinc/01/31/70/1067013170.db2.gz BRKYYMLKPVMDDF-UHFFFAOYSA-N 0 0 454.423 4.747 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545745878 1067013190 /nfs/dbraw/zinc/01/31/90/1067013190.db2.gz HVVSEATYYJXSFJ-YIXXDRMTSA-N 0 0 483.657 4.694 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnc1N1CCCC[C@@H]1C ZINC001458254539 1067013204 /nfs/dbraw/zinc/01/32/04/1067013204.db2.gz NFKNBQHZTKAQFJ-AZUAARDMSA-N 0 0 455.002 4.913 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccc(F)cc1)OC ZINC001546015188 1067013350 /nfs/dbraw/zinc/01/33/50/1067013350.db2.gz VSPABYSBMQZQOS-TYPHKJRUSA-N 0 0 475.609 4.639 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1)OC ZINC001546015172 1067013484 /nfs/dbraw/zinc/01/34/84/1067013484.db2.gz VJDNVRKEPQGKJH-WJMWBRGCSA-N 0 0 487.645 4.680 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001458254969 1067013588 /nfs/dbraw/zinc/01/35/88/1067013588.db2.gz SARIIMGEOARCCP-NVXWUHKLSA-N 0 0 452.477 4.865 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1c[nH]c2ccccc12)OC ZINC001546015227 1067013669 /nfs/dbraw/zinc/01/36/69/1067013669.db2.gz WKFIZHSOBZZNPL-HLAWJBBLSA-N 0 0 496.656 4.982 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001545746217 1067013960 /nfs/dbraw/zinc/01/39/60/1067013960.db2.gz LSMQEJBQZWKPCS-NJDAHSKKSA-N 0 0 457.619 4.953 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001458257183 1067014240 /nfs/dbraw/zinc/01/42/40/1067014240.db2.gz USOZEAQAOXGBPA-UHFFFAOYSA-N 0 0 458.345 4.663 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001449546633 1067014409 /nfs/dbraw/zinc/01/44/09/1067014409.db2.gz XYKCBHFGDHTCIO-CQSZACIVSA-N 0 0 452.654 4.773 20 0 JJADRN CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546015441 1067014419 /nfs/dbraw/zinc/01/44/19/1067014419.db2.gz ZWITUNZXYSHCFO-CEXWTWQISA-N 0 0 489.686 4.975 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1 ZINC001545746346 1067014333 /nfs/dbraw/zinc/01/43/33/1067014333.db2.gz NLUAPXMBXQQWFK-WBADGQHESA-N 0 0 481.685 4.752 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545746467 1067014395 /nfs/dbraw/zinc/01/43/95/1067014395.db2.gz PHNSWKJTBMRMRP-DUWIECCJSA-N 0 0 471.696 4.738 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545746554 1067014559 /nfs/dbraw/zinc/01/45/59/1067014559.db2.gz QSZNHRZOIWBILN-WUEDSLEZSA-N 0 0 481.685 4.624 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1cccc(Br)c1 ZINC001458259265 1067014964 /nfs/dbraw/zinc/01/49/64/1067014964.db2.gz GEELDEQJBKGWHQ-YCRPNKLZSA-N 0 0 456.336 4.790 20 0 JJADRN CC[C@H](Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1)C(C)(C)c1ccccc1 ZINC001458258853 1067015012 /nfs/dbraw/zinc/01/50/12/1067015012.db2.gz GNFOVSQRGXRWHH-IBGZPJMESA-N 0 0 450.587 4.786 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)C[C@H]1C(=O)Nc3c1cccc3F)CCC2 ZINC001458258425 1067015085 /nfs/dbraw/zinc/01/50/85/1067015085.db2.gz ZWQHUMPHMVJCES-QGZVFWFLSA-N 0 0 453.514 4.886 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N3CCCCc4c(Br)cccc43)n2)cc1 ZINC001458258956 1067015111 /nfs/dbraw/zinc/01/51/11/1067015111.db2.gz NKWMUBLVIIFTGF-UHFFFAOYSA-N 0 0 456.340 4.810 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNc2ncnc3c2c(Br)nn3C(C)(C)C)n1 ZINC001458259922 1067015386 /nfs/dbraw/zinc/01/53/86/1067015386.db2.gz JNSUWQWJOSVENA-UHFFFAOYSA-N 0 0 454.376 4.758 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545746618 1067015402 /nfs/dbraw/zinc/01/54/02/1067015402.db2.gz RVQMTQKSAHGZOR-NIJXNBFTSA-N 0 0 454.640 4.795 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[C@@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545746621 1067015412 /nfs/dbraw/zinc/01/54/12/1067015412.db2.gz RXWDFNSHFAXCIE-HBMCJLEFSA-N 0 0 497.581 4.658 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@](C)(OC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545746725 1067015526 /nfs/dbraw/zinc/01/55/26/1067015526.db2.gz UCRQVRPVKQINLG-HOFKKMOUSA-N 0 0 467.658 4.618 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545746968 1067016053 /nfs/dbraw/zinc/01/60/53/1067016053.db2.gz XRUNSIQGWKQKHU-SFTDATJTSA-N 0 0 477.575 4.905 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545746976 1067016156 /nfs/dbraw/zinc/01/61/56/1067016156.db2.gz XTNXXFWTCNCRIY-NZQKXSOJSA-N 0 0 453.631 4.925 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458265520 1067016062 /nfs/dbraw/zinc/01/60/62/1067016062.db2.gz MBSAWRHEDFXUDQ-IEBWSBKVSA-N 0 0 458.839 4.858 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001458263453 1067016191 /nfs/dbraw/zinc/01/61/91/1067016191.db2.gz HMAOEJCEAPHBJU-WOHXKIKESA-N 0 0 451.979 4.645 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458265517 1067016250 /nfs/dbraw/zinc/01/62/50/1067016250.db2.gz MBSAWRHEDFXUDQ-HKUYNNGSSA-N 0 0 458.839 4.858 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001449585650 1067016160 /nfs/dbraw/zinc/01/61/60/1067016160.db2.gz PGGYYTAZLSGBPS-WZONZLPQSA-N 0 0 456.627 4.827 20 0 JJADRN CC(C)Cc1ccc([C@H](C)C(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC001449593786 1067016428 /nfs/dbraw/zinc/01/64/28/1067016428.db2.gz JTYALVMQIAVSTF-LPHOPBHVSA-N 0 0 450.392 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 ZINC001449592182 1067016566 /nfs/dbraw/zinc/01/65/66/1067016566.db2.gz OXLAHNLUMRVFCG-NRFANRHFSA-N 0 0 457.546 4.978 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CSCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458265608 1067016618 /nfs/dbraw/zinc/01/66/18/1067016618.db2.gz NLKQPKJQNVQNIP-KNQAVFIVSA-N 0 0 452.954 4.718 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1(c2ccccc2F)CCCC1 ZINC001449598844 1067016854 /nfs/dbraw/zinc/01/68/54/1067016854.db2.gz HZZANMQTWJLRCK-MRXNPFEDSA-N 0 0 452.339 4.507 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1)NC(N)=O ZINC001449608025 1067017262 /nfs/dbraw/zinc/01/72/62/1067017262.db2.gz OXJGALXGBSUOTK-VXKWHMMOSA-N 0 0 458.587 4.804 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC001458271420 1067017329 /nfs/dbraw/zinc/01/73/29/1067017329.db2.gz FTFNWTQDYNWXSM-GMAHTHKFSA-N 0 0 459.512 4.501 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270956 1067017419 /nfs/dbraw/zinc/01/74/19/1067017419.db2.gz DGELGKBMNIOEOD-VXKWHMMOSA-N 0 0 455.432 4.701 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC001458272048 1067017545 /nfs/dbraw/zinc/01/75/45/1067017545.db2.gz LMQQIWMWGGPXPY-IBGZPJMESA-N 0 0 459.516 4.735 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545748678 1067017653 /nfs/dbraw/zinc/01/76/53/1067017653.db2.gz DFLRHOFIHWDVLQ-SIHRSVRCSA-N 0 0 481.685 4.909 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(Nc2ccccc2)c1 ZINC001449610653 1067017706 /nfs/dbraw/zinc/01/77/06/1067017706.db2.gz UKIRJBPDSGTOJW-KRWDZBQOSA-N 0 0 457.343 4.913 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2s1)c1c[nH]c(=O)c(Br)c1 ZINC001449608432 1067017722 /nfs/dbraw/zinc/01/77/22/1067017722.db2.gz PRKZVYBMOABUST-QGZVFWFLSA-N 0 0 454.349 4.873 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC001449608369 1067017892 /nfs/dbraw/zinc/01/78/92/1067017892.db2.gz SCSNZLMRPWPPNK-GOSISDBHSA-N 0 0 450.392 4.786 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545748782 1067017955 /nfs/dbraw/zinc/01/79/55/1067017955.db2.gz FPBSAHABJFOLIW-GGAORHGYSA-N 0 0 480.682 4.748 20 0 JJADRN CC(C)(C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1 ZINC001449611545 1067017969 /nfs/dbraw/zinc/01/79/69/1067017969.db2.gz VGYYRJJLLHHQHM-QGZVFWFLSA-N 0 0 458.371 4.986 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Br)cc2F)cc1C(F)F ZINC001458272459 1067017943 /nfs/dbraw/zinc/01/79/43/1067017943.db2.gz IYFTYCWQQLHZQE-UHFFFAOYSA-N 0 0 450.276 4.501 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545748784 1067018167 /nfs/dbraw/zinc/01/81/67/1067018167.db2.gz FPBSAHABJFOLIW-JTHBVZDNSA-N 0 0 480.682 4.748 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)cn2)C[C@H](C)O1 ZINC001458272537 1067018215 /nfs/dbraw/zinc/01/82/15/1067018215.db2.gz KFLFNTXZVOIRDL-HDICACEKSA-N 0 0 451.567 4.916 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1OC ZINC001546015847 1067018374 /nfs/dbraw/zinc/01/83/74/1067018374.db2.gz NJRQOFMNSZQGLE-KCWXNJEJSA-N 0 0 459.586 4.745 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2CSC)n1CC1(S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001545748818 1067018471 /nfs/dbraw/zinc/01/84/71/1067018471.db2.gz GFJJVHLSQNXLCK-NHCUHLMSSA-N 0 0 476.712 4.509 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1CCOc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545748795 1067018568 /nfs/dbraw/zinc/01/85/68/1067018568.db2.gz FURQMHLYCAOTHU-VQTJNVASSA-N 0 0 489.542 4.928 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545748912 1067019059 /nfs/dbraw/zinc/01/90/59/1067019059.db2.gz HBLZJXDDGCTADD-YADHBBJMSA-N 0 0 466.630 4.928 20 0 JJADRN Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC001449636351 1067019008 /nfs/dbraw/zinc/01/90/08/1067019008.db2.gz TXHJAVBGGPANJK-SFHVURJKSA-N 0 0 453.380 4.709 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1)C2=O ZINC001449653502 1067019401 /nfs/dbraw/zinc/01/94/01/1067019401.db2.gz PMUPAJPCBVLULJ-PBUXVCSCSA-N 0 0 453.627 4.604 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545749085 1067019434 /nfs/dbraw/zinc/01/94/34/1067019434.db2.gz JYFACLXCUMTORX-MSOLQXFVSA-N 0 0 451.537 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCCn2ccc3cc(Cl)ccc32)C1 ZINC001449681944 1067019903 /nfs/dbraw/zinc/01/99/03/1067019903.db2.gz VOZXMZRUDSXPFA-SFHVURJKSA-N 0 0 455.933 4.836 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)c2cnc(-c3cccc(Cl)c3)s2)C1 ZINC001449678264 1067019943 /nfs/dbraw/zinc/01/99/43/1067019943.db2.gz HUHGHPYEAKUBCN-OAHLLOKOSA-N 0 0 457.930 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C)c1ccccc1 ZINC001458279219 1067019939 /nfs/dbraw/zinc/01/99/39/1067019939.db2.gz SPYXGYBSLSPOES-FQEVSTJZSA-N 0 0 459.631 4.528 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545749470 1067020138 /nfs/dbraw/zinc/02/01/38/1067020138.db2.gz OLXVABNEYCTTAP-JTHBVZDNSA-N 0 0 493.618 4.957 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2C2CCC2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545749400 1067020155 /nfs/dbraw/zinc/02/01/55/1067020155.db2.gz NKSRHUBRRAERKR-YADHBBJMSA-N 0 0 458.672 4.802 20 0 JJADRN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001449687947 1067020389 /nfs/dbraw/zinc/02/03/89/1067020389.db2.gz UNTNPMJNCHLSGK-BGYRXZFFSA-N 0 0 451.419 4.879 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C[C@H](C)N1CCO ZINC001449688149 1067020505 /nfs/dbraw/zinc/02/05/05/1067020505.db2.gz VGQBBZPYVXIMJX-VWKPWSFCSA-N 0 0 453.435 4.740 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCc2ccccc2CC1 ZINC001449692081 1067020812 /nfs/dbraw/zinc/02/08/12/1067020812.db2.gz FBSIJVIDJPZULE-UHFFFAOYSA-N 0 0 454.979 4.772 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2cccc(F)c2[C@H]1C)OC ZINC001546016594 1067020885 /nfs/dbraw/zinc/02/08/85/1067020885.db2.gz HCKVJUFHKFXZDT-LMCOJAPRSA-N 0 0 487.620 4.737 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1Br ZINC001449694468 1067021124 /nfs/dbraw/zinc/02/11/24/1067021124.db2.gz JZJXUXHFSZUFIA-LSDHHAIUSA-N 0 0 457.434 4.928 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1Br ZINC001449694460 1067021238 /nfs/dbraw/zinc/02/12/38/1067021238.db2.gz JZJXUXHFSZUFIA-HUUCEWRRSA-N 0 0 457.434 4.928 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc(C)c1Cl ZINC001449693820 1067021268 /nfs/dbraw/zinc/02/12/68/1067021268.db2.gz JHCLNYJFDMLDGG-OALUTQOASA-N 0 0 451.007 4.831 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001458284012 1067021361 /nfs/dbraw/zinc/02/13/61/1067021361.db2.gz RBTACGNQEZQZBK-ICSGCJEQSA-N 0 0 453.457 4.634 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCC1(O)CCC1)c1ccccc1 ZINC001545750000 1067021373 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VPKJNAXNDQVHFX-QHCPKHFHSA-N 0 0 459.608 4.805 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3ccc(O[C@H]4CC4(F)F)cc3)C2)C1 ZINC001449708964 1067021930 /nfs/dbraw/zinc/02/19/30/1067021930.db2.gz RIFBFQBKTUQHCP-BJLQDIEVSA-N 0 0 450.526 4.582 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449706748 1067022011 /nfs/dbraw/zinc/02/20/11/1067022011.db2.gz QIEKQHOYZMWURR-SFTDATJTSA-N 0 0 452.599 4.803 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001458288160 1067022319 /nfs/dbraw/zinc/02/23/19/1067022319.db2.gz FBHGUAVOMSZKOR-NRFANRHFSA-N 0 0 454.489 4.982 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545750158 1067022312 /nfs/dbraw/zinc/02/23/12/1067022312.db2.gz YSZAREZFLJLIGA-SFTDATJTSA-N 0 0 477.506 4.950 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545750157 1067022370 /nfs/dbraw/zinc/02/23/70/1067022370.db2.gz YSZAREZFLJLIGA-RTWAWAEBSA-N 0 0 477.506 4.950 20 0 JJADRN CCOc1ccc(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1OCC ZINC001458289736 1067022371 /nfs/dbraw/zinc/02/23/71/1067022371.db2.gz HPINMKXDMMQAPM-HXUWFJFHSA-N 0 0 457.445 4.543 20 0 JJADRN Cn1nccc1[C@@H]1C[C@H](NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC001449710877 1067022583 /nfs/dbraw/zinc/02/25/83/1067022583.db2.gz YSCRFWCEOWQVSC-JCTONOIOSA-N 0 0 456.011 4.933 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458288612 1067022554 /nfs/dbraw/zinc/02/25/54/1067022554.db2.gz IUYLFPVIKQYCOP-HXUWFJFHSA-N 0 0 457.452 4.590 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C(F)(F)F)s1 ZINC001458290903 1067022785 /nfs/dbraw/zinc/02/27/85/1067022785.db2.gz DVAUBFHSPAPAMC-ZDUSSCGKSA-N 0 0 450.404 4.707 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545750255 1067022805 /nfs/dbraw/zinc/02/28/05/1067022805.db2.gz ZWODACAGCMXEET-PKTZIBPZSA-N 0 0 465.667 4.979 20 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ZINC001458295015 1067023771 /nfs/dbraw/zinc/02/37/71/1067023771.db2.gz WGTBXLWQFFYMCZ-KBPBESRZSA-N 0 0 456.391 4.558 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1csc(I)n1 ZINC001458294999 1067023813 /nfs/dbraw/zinc/02/38/13/1067023813.db2.gz WDPZALBHLDSXRG-SSDOTTSWSA-N 0 0 453.132 4.814 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545751387 1067023752 /nfs/dbraw/zinc/02/37/52/1067023752.db2.gz FCKXASIJWDTNNT-OHTANWTRSA-N 0 0 488.698 4.571 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCc1ccsc1)c1ccccc1 ZINC001545751381 1067023792 /nfs/dbraw/zinc/02/37/92/1067023792.db2.gz DWUILAXWSHRFNM-HSZRJFAPSA-N 0 0 465.667 4.819 20 0 JJADRN C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458295118 1067023982 /nfs/dbraw/zinc/02/39/82/1067023982.db2.gz WBWYSATURJMKOH-YWZLYKJASA-N 0 0 452.904 4.845 20 0 JJADRN CSc1ncc(I)c(N2CCCC[C@H]2c2nc3ccccc3o2)n1 ZINC001458295366 1067023997 /nfs/dbraw/zinc/02/39/97/1067023997.db2.gz GQFXBSRTMMUIEA-ZDUSSCGKSA-N 0 0 452.321 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001449740069 1067024126 /nfs/dbraw/zinc/02/41/26/1067024126.db2.gz GRRPCFMRRUYKAY-NHCUHLMSSA-N 0 0 458.647 4.789 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458299350 1067024868 /nfs/dbraw/zinc/02/48/68/1067024868.db2.gz YXJZZLPKMYBGPF-GBLZOACLSA-N 0 0 453.341 4.630 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H](C)COC)c1ccccc1 ZINC001545751674 1067024861 /nfs/dbraw/zinc/02/48/61/1067024861.db2.gz JQAVSZPSTPEBPW-REWPJTCUSA-N 0 0 481.666 4.517 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC001449746137 1067025056 /nfs/dbraw/zinc/02/50/56/1067025056.db2.gz VKMUFZPBILTUOI-VLIAUNLRSA-N 0 0 456.783 4.949 20 0 JJADRN CC[C@@H](Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016952 1067025155 /nfs/dbraw/zinc/02/51/55/1067025155.db2.gz LXZFWVNTGUDEEV-HNNXBMFYSA-N 0 0 463.573 4.720 20 0 JJADRN COC[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449745944 1067025192 /nfs/dbraw/zinc/02/51/92/1067025192.db2.gz OKOHXFVQHOMBHZ-IFMALSPDSA-N 0 0 458.986 4.548 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017030 1067025442 /nfs/dbraw/zinc/02/54/42/1067025442.db2.gz NTDVRJVZNUCYOA-DFIYOIEZSA-N 0 0 460.594 4.552 20 0 JJADRN CCC(CC)(CNc1nn2c(nnc2C(F)(F)F)c(C)c1C)c1ccc(OC)c(OC)c1 ZINC001458305557 1067025640 /nfs/dbraw/zinc/02/56/40/1067025640.db2.gz NIZTWTDXSIYXRM-UHFFFAOYSA-N 0 0 451.493 4.947 20 0 JJADRN COC[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1 ZINC001449754145 1067025507 /nfs/dbraw/zinc/02/55/07/1067025507.db2.gz WXEUZFVFLGCTTH-PBHICJAKSA-N 0 0 455.769 4.546 20 0 JJADRN CN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449760329 1067026097 /nfs/dbraw/zinc/02/60/97/1067026097.db2.gz TXIDDDKAWIKIMH-UHFFFAOYSA-N 0 0 459.587 4.502 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)OC ZINC001546017106 1067026154 /nfs/dbraw/zinc/02/61/54/1067026154.db2.gz OTCBCYWCUDNMBQ-WMQCIHAUSA-N 0 0 473.618 4.678 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001545751922 1067026060 /nfs/dbraw/zinc/02/60/60/1067026060.db2.gz NOIOJAIYEHXJTL-WIOPSUGQSA-N 0 0 456.656 4.581 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001545751921 1067026171 /nfs/dbraw/zinc/02/61/71/1067026171.db2.gz NOIOJAIYEHXJTL-RDGATRHJSA-N 0 0 456.656 4.581 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545752136 1067026405 /nfs/dbraw/zinc/02/64/05/1067026405.db2.gz RIIBDVANCJDCQI-NOZRDPDXSA-N 0 0 481.685 4.866 20 0 JJADRN CC[C@H](c1nnc(N2CCCC3(CCOCC3)C2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545752122 1067026534 /nfs/dbraw/zinc/02/65/34/1067026534.db2.gz REWDXSMCZCRYBM-ULKXQASOSA-N 0 0 472.699 4.764 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545752135 1067026640 /nfs/dbraw/zinc/02/66/40/1067026640.db2.gz RIIBDVANCJDCQI-ILBGXUMGSA-N 0 0 481.685 4.866 20 0 JJADRN CC[C@H](Cn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017281 1067026753 /nfs/dbraw/zinc/02/67/53/1067026753.db2.gz RPTWRHCANMPIHP-OAQYLSRUSA-N 0 0 495.647 4.812 20 0 JJADRN CCc1c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1Cc1ccccc1 ZINC001458312918 1067027093 /nfs/dbraw/zinc/02/70/93/1067027093.db2.gz CEUXMQSJJWGKSX-GOSISDBHSA-N 0 0 456.390 4.941 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC001545752184 1067026880 /nfs/dbraw/zinc/02/68/80/1067026880.db2.gz SEMWYLRKEBLNRE-VDKIKQQVSA-N 0 0 481.685 4.720 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)c2ccc(N3CCCCCC3)cc2)cc1Br ZINC001449768485 1067027006 /nfs/dbraw/zinc/02/70/06/1067027006.db2.gz ZJYJEYHEDCWANY-HXUWFJFHSA-N 0 0 459.428 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001449771977 1067027027 /nfs/dbraw/zinc/02/70/27/1067027027.db2.gz ASNXRLZQWHCGPR-RTWAWAEBSA-N 0 0 463.018 4.584 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)cc2)c1 ZINC001458313958 1067027275 /nfs/dbraw/zinc/02/72/75/1067027275.db2.gz DSZMTXUKXJIZHA-UHFFFAOYSA-N 0 0 457.452 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001449777630 1067027487 /nfs/dbraw/zinc/02/74/87/1067027487.db2.gz SNOLXXLVTAKYMJ-RSXGOPAZSA-N 0 0 464.606 4.817 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC001458314579 1067027719 /nfs/dbraw/zinc/02/77/19/1067027719.db2.gz BVNJRDACHGUAHB-UHFFFAOYSA-N 0 0 450.285 4.646 20 0 JJADRN Cc1c(C(=O)O[C@@H](C)c2ccc(Cl)s2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001458314619 1067027775 /nfs/dbraw/zinc/02/77/75/1067027775.db2.gz BBELFUYMQNLRBP-ZDUSSCGKSA-N 0 0 454.980 4.791 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ncccc3-c3ccccc3)CC2=O)ccc1Br ZINC001458314617 1067027868 /nfs/dbraw/zinc/02/78/68/1067027868.db2.gz AVTOABGKYKVDLS-QGZVFWFLSA-N 0 0 450.336 4.811 20 0 JJADRN Cc1ccc(Br)c2c1N(C(=O)Cc1csc(NC(=O)C(C)(C)C)n1)CCC2 ZINC001458314967 1067027902 /nfs/dbraw/zinc/02/79/02/1067027902.db2.gz WQSFSDMQNIHMGW-UHFFFAOYSA-N 0 0 450.402 4.721 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC2(CCCCC2)C1)OC ZINC001546016831 1067028089 /nfs/dbraw/zinc/02/80/89/1067028089.db2.gz KGRZPSQBQVAKTB-ZCNNSNEGSA-N 0 0 493.718 4.730 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545752423 1067028168 /nfs/dbraw/zinc/02/81/68/1067028168.db2.gz XHZCBSVKLXYUBA-PKTZIBPZSA-N 0 0 471.715 4.653 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC1(C)CC1)c1ccccc1 ZINC001545752411 1067028190 /nfs/dbraw/zinc/02/81/90/1067028190.db2.gz XFJACYHKVXREAE-JOCHJYFZSA-N 0 0 453.631 4.925 20 0 JJADRN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 ZINC001449786915 1067028217 /nfs/dbraw/zinc/02/82/17/1067028217.db2.gz JSPGLUJTNLCKKG-BIUHSKNTSA-N 0 0 450.689 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449790117 1067028479 /nfs/dbraw/zinc/02/84/79/1067028479.db2.gz RDNDGKDRWFNEEX-HRAATJIYSA-N 0 0 455.368 4.729 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC001458317676 1067028630 /nfs/dbraw/zinc/02/86/30/1067028630.db2.gz XZCRHKSLKQYALE-UHFFFAOYSA-N 0 0 452.477 4.655 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449790124 1067028633 /nfs/dbraw/zinc/02/86/33/1067028633.db2.gz RDNDGKDRWFNEEX-IERDGZPVSA-N 0 0 455.368 4.729 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)[nH]c(C)c1C(C)=O ZINC001449791533 1067028781 /nfs/dbraw/zinc/02/87/81/1067028781.db2.gz AVJQIQOIKLECPL-NSHDSACASA-N 0 0 450.461 4.652 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC001545752524 1067028832 /nfs/dbraw/zinc/02/88/32/1067028832.db2.gz YRRMKIHUSBKBKD-GPXOXTDOSA-N 0 0 453.675 4.803 20 0 JJADRN CON(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H](C)c1csc(C)n1 ZINC001449796118 1067028978 /nfs/dbraw/zinc/02/89/78/1067028978.db2.gz PASQQXRYXRLUGU-DOMZBBRYSA-N 0 0 456.395 4.762 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)cc1 ZINC001449795176 1067029081 /nfs/dbraw/zinc/02/90/81/1067029081.db2.gz KHICSDYGHYHJEE-CHWSQXEVSA-N 0 0 453.486 4.736 20 0 JJADRN O=C(c1cc(Br)cc2nc[nH]c21)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001545753293 1067029186 /nfs/dbraw/zinc/02/91/86/1067029186.db2.gz NPXVIVDFAYWVTA-IBGZPJMESA-N 0 0 456.365 4.763 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)C(F)(F)F)o1 ZINC001545753631 1067029201 /nfs/dbraw/zinc/02/92/01/1067029201.db2.gz VHXMDUZICMYVLI-NQIIRXRSSA-N 0 0 453.482 4.552 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)C(F)(F)F)o1 ZINC001545753632 1067029282 /nfs/dbraw/zinc/02/92/82/1067029282.db2.gz VHXMDUZICMYVLI-RXVVDRJESA-N 0 0 453.482 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC001545753719 1067029297 /nfs/dbraw/zinc/02/92/97/1067029297.db2.gz XQVBTHUPBDKLSU-BVSLBCMMSA-N 0 0 458.624 4.894 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)C(F)(F)F)o1 ZINC001545753633 1067029389 /nfs/dbraw/zinc/02/93/89/1067029389.db2.gz VHXMDUZICMYVLI-WIYYLYMNSA-N 0 0 453.482 4.552 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)nnn1-c1ccccc1Cl ZINC001545753075 1067029403 /nfs/dbraw/zinc/02/94/03/1067029403.db2.gz JHNQPOPLRBWSMC-OAQYLSRUSA-N 0 0 452.967 4.667 20 0 JJADRN CC[C@@H](CSC)N(C)C(=O)c1cc(I)cc(Br)c1C ZINC001458320697 1067029466 /nfs/dbraw/zinc/02/94/66/1067029466.db2.gz DNHFJPUXCKLVRC-NSHDSACASA-N 0 0 456.187 4.576 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545754063 1067030160 /nfs/dbraw/zinc/03/01/60/1067030160.db2.gz DYRQRBIYGZJHGZ-URXFXBBRSA-N 0 0 490.652 4.903 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001458322906 1067030524 /nfs/dbraw/zinc/03/05/24/1067030524.db2.gz KOIMHHHSKQJTCZ-VPKVUBIPSA-N 0 0 452.389 4.710 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017507 1067030855 /nfs/dbraw/zinc/03/08/55/1067030855.db2.gz VTWNOOCUUBEQMD-RTBURBONSA-N 0 0 470.593 4.723 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545754304 1067030820 /nfs/dbraw/zinc/03/08/20/1067030820.db2.gz KAXJGRKEIUEUKK-XXBNENTESA-N 0 0 478.641 4.533 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC001458324129 1067030960 /nfs/dbraw/zinc/03/09/60/1067030960.db2.gz QDMKWFILEXCNNU-ZHRRBRCNSA-N 0 0 459.384 4.538 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545754707 1067031156 /nfs/dbraw/zinc/03/11/56/1067031156.db2.gz STTHVBIJYJGDLB-VJBWXMMDSA-N 0 0 483.657 4.692 20 0 JJADRN C[C@H](CCO)n1c2ccc(NC(=O)c3ncc(C(F)(F)F)s3)cc2nc1C(F)(F)F ZINC001449836921 1067031340 /nfs/dbraw/zinc/03/13/40/1067031340.db2.gz FHUIPYCLFDXRQA-MRVPVSSYSA-N 0 0 452.380 4.726 20 0 JJADRN CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CCO ZINC001449840600 1067031472 /nfs/dbraw/zinc/03/14/72/1067031472.db2.gz NPONOEVOQMOBKQ-AWEZNQCLSA-N 0 0 459.472 4.549 20 0 JJADRN OC1(c2cccc(OC(F)(F)F)c2)CCN(c2nc(-c3cc(F)cc(F)c3)ns2)CC1 ZINC001458329423 1067031977 /nfs/dbraw/zinc/03/19/77/1067031977.db2.gz JNNXHJQLLGXSKX-UHFFFAOYSA-N 0 0 457.424 4.870 20 0 JJADRN FC(F)Oc1ccccc1CCNc1ncc(C(F)(F)F)cc1I ZINC001458329584 1067032201 /nfs/dbraw/zinc/03/22/01/1067032201.db2.gz FOSWZDAVJMXUBF-UHFFFAOYSA-N 0 0 458.168 4.961 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCCOC(C)C)c1ccccc1 ZINC001545754859 1067032169 /nfs/dbraw/zinc/03/21/69/1067032169.db2.gz XAOAUKCYVKCCFG-RUZDIDTESA-N 0 0 481.685 4.864 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCc1csc(C)n1)c1ccccc1 ZINC001545756081 1067032395 /nfs/dbraw/zinc/03/23/95/1067032395.db2.gz AMXNEEGIAHVJLB-DYESRHJHSA-N 0 0 492.615 4.900 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001449862137 1067032722 /nfs/dbraw/zinc/03/27/22/1067032722.db2.gz BBHOKGUZPAOMBZ-OAHLLOKOSA-N 0 0 453.174 4.997 20 0 JJADRN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc(OC)c1Br ZINC001458331002 1067032640 /nfs/dbraw/zinc/03/26/40/1067032640.db2.gz IWIMWIHILZITFB-UHFFFAOYSA-N 0 0 454.280 4.922 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@@H](C)CSCc2ccccc2)CC1 ZINC001449858006 1067032885 /nfs/dbraw/zinc/03/28/85/1067032885.db2.gz ZYVWHOFMQRRQIH-FQEVSTJZSA-N 0 0 453.604 4.611 20 0 JJADRN CC[C@H](Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017651 1067032942 /nfs/dbraw/zinc/03/29/42/1067032942.db2.gz YVRZPXIDHOCAJO-RTBURBONSA-N 0 0 488.652 4.733 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CSC(=S)N2CCC(C)CC2)cc1Cl ZINC001458333727 1067033381 /nfs/dbraw/zinc/03/33/81/1067033381.db2.gz UDFWCMIZPJGUOD-UHFFFAOYSA-N 0 0 451.441 4.707 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[C@H](c4cccc(Br)c4)C3)C2=O)cc1 ZINC001449876464 1067033774 /nfs/dbraw/zinc/03/37/74/1067033774.db2.gz HAKRPJDPSUOAAG-SIKLNZKXSA-N 0 0 455.396 4.942 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001449878249 1067033807 /nfs/dbraw/zinc/03/38/07/1067033807.db2.gz LAQFTFAFBKHFMT-MRXNPFEDSA-N 0 0 455.352 4.666 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(F)c1SC ZINC001546017923 1067033991 /nfs/dbraw/zinc/03/39/91/1067033991.db2.gz INZAWBOVRCMCAA-UHFFFAOYSA-N 0 0 453.605 4.652 20 0 JJADRN CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1)OC ZINC001545756664 1067034463 /nfs/dbraw/zinc/03/44/63/1067034463.db2.gz LOVRMOXDGGGFEW-PTUXOGIPSA-N 0 0 482.698 4.973 20 0 JJADRN Cc1cc(C)cc(N(CCC(=O)N2CC[C@H](F)C2)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC001449893218 1067034593 /nfs/dbraw/zinc/03/45/93/1067034593.db2.gz CXXQEILRDUBQGY-QFIPXVFZSA-N 0 0 454.567 4.612 20 0 JJADRN Cc1cc(NC(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)nn1-c1cc(C)cc(C)c1 ZINC001458338940 1067034693 /nfs/dbraw/zinc/03/46/93/1067034693.db2.gz FNFUXOXQZRPCGB-UHFFFAOYSA-N 0 0 459.518 4.512 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)nn1-c1ccc(Cl)cc1Cl ZINC001458340470 1067034965 /nfs/dbraw/zinc/03/49/65/1067034965.db2.gz LHBPLDFUWCRHKA-SFHVURJKSA-N 0 0 451.260 4.897 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001449895338 1067034984 /nfs/dbraw/zinc/03/49/84/1067034984.db2.gz HZUCOKYSEXMOBV-IFMALSPDSA-N 0 0 478.568 4.986 20 0 JJADRN CCn1c(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)nc2ccc(F)cc21 ZINC001458340404 1067035083 /nfs/dbraw/zinc/03/50/83/1067035083.db2.gz LVWAHEXZXPOWNW-UHFFFAOYSA-N 0 0 457.506 4.550 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458340057 1067035128 /nfs/dbraw/zinc/03/51/28/1067035128.db2.gz HADTVYCUHDDRND-IBGZPJMESA-N 0 0 454.929 4.832 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545757170 1067035601 /nfs/dbraw/zinc/03/56/01/1067035601.db2.gz VBPMMEYYMXMDQH-WJMWBRGCSA-N 0 0 477.575 4.856 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2c(C)noc2C)CCO1 ZINC001546099602 1067036174 /nfs/dbraw/zinc/03/61/74/1067036174.db2.gz JEOWEQRSGLLZEA-AREMUKBSSA-N 0 0 467.614 4.947 20 0 JJADRN CCCO[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1C ZINC001458342814 1067036231 /nfs/dbraw/zinc/03/62/31/1067036231.db2.gz FJYAVQZMECJYCB-UXHICEINSA-N 0 0 453.341 4.830 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](C)SC)c1ccccc1 ZINC001545758140 1067036446 /nfs/dbraw/zinc/03/64/46/1067036446.db2.gz APSPSMFKCPKUSV-JENIJYKNSA-N 0 0 455.594 4.644 20 0 JJADRN CCc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001449906128 1067036323 /nfs/dbraw/zinc/03/63/23/1067036323.db2.gz ZANQUDNQCDILBF-TZIWHRDSSA-N 0 0 456.558 4.864 20 0 JJADRN COc1cc(C)cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1O ZINC001449905050 1067036356 /nfs/dbraw/zinc/03/63/56/1067036356.db2.gz URVNGINJQATFQK-UYAOXDASSA-N 0 0 472.557 4.619 20 0 JJADRN O=C(NC1CCC(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1)C1CCCC1 ZINC001458343913 1067036507 /nfs/dbraw/zinc/03/65/07/1067036507.db2.gz HJHOYSQGQXXIBI-ABHNRTSZSA-N 0 0 452.426 4.554 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCOc2ccc3ccccc3c2)c1 ZINC001449908400 1067036856 /nfs/dbraw/zinc/03/68/56/1067036856.db2.gz CELLXLILDWEHEB-JOCHJYFZSA-N 0 0 458.352 4.572 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458345023 1067037179 /nfs/dbraw/zinc/03/71/79/1067037179.db2.gz XFKOBXUUNAGCFE-LJQANCHMSA-N 0 0 451.929 4.521 20 0 JJADRN O=C(COc1ccccc1-c1ccccc1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458346428 1067037332 /nfs/dbraw/zinc/03/73/32/1067037332.db2.gz MDQIVAAVEYSWTF-NRFANRHFSA-N 0 0 455.341 4.961 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC1(F)CCC1)c1ccccc1 ZINC001545758401 1067037615 /nfs/dbraw/zinc/03/76/15/1067037615.db2.gz GJISSOJDKGRCHF-UNMCSNQZSA-N 0 0 455.622 4.795 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)c1ncnc(CC(C)C)c1I ZINC001458346531 1067037870 /nfs/dbraw/zinc/03/78/70/1067037870.db2.gz OBDHCSWNTMQGGT-MRXNPFEDSA-N 0 0 459.759 4.757 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC001458346919 1067037964 /nfs/dbraw/zinc/03/79/64/1067037964.db2.gz FWHIFGZHLHUGQC-AFMDSPMNSA-N 0 0 456.546 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545758557 1067038256 /nfs/dbraw/zinc/03/82/56/1067038256.db2.gz IYYVQUHBMNAFSF-OTPAQWSUSA-N 0 0 461.601 4.555 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCOc3ccccc3)n2Cc2nc(C(C)C)cs2)CCO1 ZINC001546099690 1067038744 /nfs/dbraw/zinc/03/87/44/1067038744.db2.gz KTUATFPZCJRTCB-DEOSSOPVSA-N 0 0 455.628 4.533 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449964538 1067039081 /nfs/dbraw/zinc/03/90/81/1067039081.db2.gz GGEMGORPGWTCSI-GWCFXTLKSA-N 0 0 451.741 4.753 20 0 JJADRN Cc1cccc(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1I ZINC001449967153 1067039112 /nfs/dbraw/zinc/03/91/12/1067039112.db2.gz BDAUIPXNDWRRJF-NSHDSACASA-N 0 0 453.711 4.963 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCCc1nccs1)c1ccccc1 ZINC001545758635 1067039236 /nfs/dbraw/zinc/03/92/36/1067039236.db2.gz KGXXRJPGUSDVBP-IRLDBZIGSA-N 0 0 480.682 4.602 20 0 JJADRN Cc1cccc(C(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1I ZINC001449967141 1067039141 /nfs/dbraw/zinc/03/91/41/1067039141.db2.gz BDAUIPXNDWRRJF-LLVKDONJSA-N 0 0 453.711 4.963 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)cc1 ZINC001458349401 1067039224 /nfs/dbraw/zinc/03/92/24/1067039224.db2.gz MPQLKROWCDGRNZ-RNODOKPDSA-N 0 0 456.764 4.772 20 0 JJADRN COc1cc(C(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc(Br)c1OC ZINC001449972292 1067039522 /nfs/dbraw/zinc/03/95/22/1067039522.db2.gz QUNDATRMYSUUML-SNVBAGLBSA-N 0 0 452.736 4.829 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546018576 1067039568 /nfs/dbraw/zinc/03/95/68/1067039568.db2.gz FCSYCTMKBGMJDA-PLACYPQZSA-N 0 0 493.693 4.505 20 0 JJADRN C[C@@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1C(F)(F)F ZINC001458351156 1067039553 /nfs/dbraw/zinc/03/95/53/1067039553.db2.gz SUWMILFMEBWMFK-SGTLLEGYSA-N 0 0 457.290 4.647 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC001458351280 1067039671 /nfs/dbraw/zinc/03/96/71/1067039671.db2.gz ULAOYSPCLGJOFA-BFUOFWGJSA-N 0 0 451.420 4.545 20 0 JJADRN C[C@@H](NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449980399 1067040422 /nfs/dbraw/zinc/04/04/22/1067040422.db2.gz YBUNRFKANROMGP-AMIZOPFISA-N 0 0 451.301 4.595 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458352841 1067040537 /nfs/dbraw/zinc/04/05/37/1067040537.db2.gz YSNQQWOAJKKVBT-PIGZYNQJSA-N 0 0 457.162 4.726 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458352838 1067040606 /nfs/dbraw/zinc/04/06/06/1067040606.db2.gz YSNQQWOAJKKVBT-APPDUMDISA-N 0 0 457.162 4.726 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)cc1 ZINC001450006219 1067040885 /nfs/dbraw/zinc/04/08/85/1067040885.db2.gz WPZXLSWCCMTKMS-XJUOHMSHSA-N 0 0 450.579 4.539 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545758997 1067040964 /nfs/dbraw/zinc/04/09/64/1067040964.db2.gz QGJFBXWRKIVAEL-XMMPIXPASA-N 0 0 481.685 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cc2C1 ZINC001458355481 1067040925 /nfs/dbraw/zinc/04/09/25/1067040925.db2.gz PMAGAZULIQMJTD-FFZOFVMBSA-N 0 0 473.520 4.807 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3COc3ccccc3)cc2)c(C)c1Br ZINC001449994284 1067041013 /nfs/dbraw/zinc/04/10/13/1067041013.db2.gz IKGKRQBCFWCJAG-FQEVSTJZSA-N 0 0 454.368 4.935 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Cl)cc2C1)NC(=O)OC(C)(C)C ZINC001546018834 1067041298 /nfs/dbraw/zinc/04/12/98/1067041298.db2.gz JCURTEXRDZSDMP-WOJBJXKFSA-N 0 0 476.021 4.649 20 0 JJADRN O=C(c1cccc(-c2cnco2)c1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001450010128 1067041521 /nfs/dbraw/zinc/04/15/21/1067041521.db2.gz CZWUWVYLKBHAMN-INIZCTEOSA-N 0 0 458.299 4.651 20 0 JJADRN O=S(=O)(c1ccc(Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1)C(F)F ZINC001458357974 1067041771 /nfs/dbraw/zinc/04/17/71/1067041771.db2.gz YTINPQACYLZACN-UHFFFAOYSA-N 0 0 457.252 4.820 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc2ccc(Br)cc2c(=O)o1 ZINC001458360576 1067041995 /nfs/dbraw/zinc/04/19/95/1067041995.db2.gz WCWGGWKXSOXQES-KRWDZBQOSA-N 0 0 454.242 4.849 20 0 JJADRN CC(C)c1ccc(N2Cc3ccc(NC(=O)/C=C\c4ccc(S(C)(=O)=O)o4)cc3C2)cc1 ZINC001458360835 1067042055 /nfs/dbraw/zinc/04/20/55/1067042055.db2.gz AMAFEDBRLWDJKR-BENRWUELSA-N 0 0 450.560 4.979 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC001450023610 1067042086 /nfs/dbraw/zinc/04/20/86/1067042086.db2.gz GAGKMUUIHNZZEM-QFIPXVFZSA-N 0 0 456.464 4.836 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545759585 1067043188 /nfs/dbraw/zinc/04/31/88/1067043188.db2.gz ZZDASXDXBAQMKS-QHCPKHFHSA-N 0 0 482.698 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)C(C)(C)Oc3cccc(Cl)c3)cc2C1 ZINC001458367682 1067043229 /nfs/dbraw/zinc/04/32/29/1067043229.db2.gz JPAPWIDPCXBLFC-KRWDZBQOSA-N 0 0 459.974 4.913 20 0 JJADRN CC(C)(C)N(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1I ZINC001458368349 1067043417 /nfs/dbraw/zinc/04/34/17/1067043417.db2.gz ISOQOUPWVVMPQI-UHFFFAOYSA-N 0 0 459.331 4.918 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)cccc2F)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001458367814 1067043430 /nfs/dbraw/zinc/04/34/30/1067043430.db2.gz FSPGPYFBSAAKII-UHFFFAOYSA-N 0 0 454.523 4.537 20 0 JJADRN CN(C)C(=O)C[C@H](NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001450042018 1067043947 /nfs/dbraw/zinc/04/39/47/1067043947.db2.gz XUCGNTSXJBVCBE-QFIPXVFZSA-N 0 0 459.631 4.530 20 0 JJADRN CC(C)[C@@H](CO)[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C(C)C ZINC001450043998 1067044036 /nfs/dbraw/zinc/04/40/36/1067044036.db2.gz VSWBOJRQZXFTQA-NLFFAJNJSA-N 0 0 458.002 4.674 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001450052769 1067045098 /nfs/dbraw/zinc/04/50/98/1067045098.db2.gz DPZAWHBFJFMIPQ-OXQOHEQNSA-N 0 0 459.015 4.854 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCSCC(F)(F)F)c1ccccc1 ZINC001545761557 1067045126 /nfs/dbraw/zinc/04/51/26/1067045126.db2.gz TZKWUGQJCTYREV-CVEARBPZSA-N 0 0 482.494 4.883 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCCOC2CCCC2)CCO1 ZINC001546099896 1067045442 /nfs/dbraw/zinc/04/54/42/1067045442.db2.gz PCLONEZDRRJVBS-AREMUKBSSA-N 0 0 456.631 4.829 20 0 JJADRN CN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001450058405 1067045368 /nfs/dbraw/zinc/04/53/68/1067045368.db2.gz XOISRKIAZRHBMY-SFHVURJKSA-N 0 0 450.004 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545761930 1067045790 /nfs/dbraw/zinc/04/57/90/1067045790.db2.gz YXHKWSRZIDUHII-DNQXCXABSA-N 0 0 463.626 4.912 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC001458375677 1067046000 /nfs/dbraw/zinc/04/60/00/1067046000.db2.gz NNFFSKJZWGRJCU-PAGBRTJLSA-N 0 0 455.986 4.623 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@](C)(CC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545762957 1067046195 /nfs/dbraw/zinc/04/61/95/1067046195.db2.gz AJIQSBLVGFPARA-WNCULLNHSA-N 0 0 467.658 4.618 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCC[C@H]1CCC1CCCCC1)CC2 ZINC001545762320 1067046209 /nfs/dbraw/zinc/04/62/09/1067046209.db2.gz JKJAOVXBSWIHDK-QHCPKHFHSA-N 0 0 456.627 4.720 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCCOC2)CCO1 ZINC001546099960 1067046533 /nfs/dbraw/zinc/04/65/33/1067046533.db2.gz QGNUSFLYLUCESN-NBGIEHNGSA-N 0 0 477.049 4.683 20 0 JJADRN CCOC(=O)c1nc(NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001458381248 1067046959 /nfs/dbraw/zinc/04/69/59/1067046959.db2.gz WZLAZBYUMBUTNY-AWEZNQCLSA-N 0 0 456.381 4.612 20 0 JJADRN CCCC[C@H](C)N(CCCC)C(=O)c1cnc2ccc(I)cc2c1O ZINC001450070273 1067046979 /nfs/dbraw/zinc/04/69/79/1067046979.db2.gz DFYJACLLYOLGEC-AWEZNQCLSA-N 0 0 454.352 4.954 20 0 JJADRN C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450066886 1067046887 /nfs/dbraw/zinc/04/68/87/1067046887.db2.gz ZHAXFMFHOVLRFY-HBFSDRIKSA-N 0 0 458.578 4.862 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C3CC3)cc2)c1 ZINC001458383277 1067047527 /nfs/dbraw/zinc/04/75/27/1067047527.db2.gz GKOSYEYCQFNZTH-UHFFFAOYSA-N 0 0 450.560 4.958 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC[C@@H]2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545763383 1067047560 /nfs/dbraw/zinc/04/75/60/1067047560.db2.gz HXXJZQPYIAZVSX-KSEOMHKRSA-N 0 0 471.646 4.594 20 0 JJADRN COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 ZINC001450075947 1067047437 /nfs/dbraw/zinc/04/74/37/1067047437.db2.gz PVNQKQVHJPLAHO-LJQANCHMSA-N 0 0 456.542 4.675 20 0 JJADRN CCn1cc(Br)cc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC001450075940 1067047531 /nfs/dbraw/zinc/04/75/31/1067047531.db2.gz PUHIHBMAVXSBPM-UHFFFAOYSA-N 0 0 452.352 4.655 20 0 JJADRN CC[C@H](c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCCOC(F)(F)F)c1ccccc1 ZINC001545763692 1067047825 /nfs/dbraw/zinc/04/78/25/1067047825.db2.gz LWFZSSDZQCWSMX-SFTDATJTSA-N 0 0 466.548 4.999 20 0 JJADRN CC[C@@H](C)[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001545763618 1067047901 /nfs/dbraw/zinc/04/79/01/1067047901.db2.gz KYCJHXBRJBFGAQ-TXDLGXNGSA-N 0 0 483.682 4.960 20 0 JJADRN CC[C@H](c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCCOC(F)(F)F)c1ccccc1 ZINC001545763691 1067047917 /nfs/dbraw/zinc/04/79/17/1067047917.db2.gz LWFZSSDZQCWSMX-RTWAWAEBSA-N 0 0 466.548 4.999 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)c1F ZINC001450077580 1067048118 /nfs/dbraw/zinc/04/81/18/1067048118.db2.gz SCOVEVGSAJNACT-UHFFFAOYSA-N 0 0 456.275 4.573 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCc1nccnc1C)c1ccccc1 ZINC001545763779 1067048303 /nfs/dbraw/zinc/04/83/03/1067048303.db2.gz NCJVDZYVPWQDND-CUNXSJBXSA-N 0 0 462.642 4.803 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCCSCC(C)C)c1ccccc1 ZINC001545764378 1067048883 /nfs/dbraw/zinc/04/88/83/1067048883.db2.gz USOKWPVGJPPDET-WHSBFGAESA-N 0 0 472.699 4.984 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545764349 1067048950 /nfs/dbraw/zinc/04/89/50/1067048950.db2.gz UJXIGTCYEJGFRH-DENIHFKCSA-N 0 0 483.657 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545764351 1067049029 /nfs/dbraw/zinc/04/90/29/1067049029.db2.gz UJXIGTCYEJGFRH-SIKLNZKXSA-N 0 0 483.657 4.691 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545764352 1067049124 /nfs/dbraw/zinc/04/91/24/1067049124.db2.gz UJXIGTCYEJGFRH-UGKGYDQZSA-N 0 0 483.657 4.691 20 0 JJADRN CS(=O)(=O)CC1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC001450106218 1067049185 /nfs/dbraw/zinc/04/91/85/1067049185.db2.gz ADYGRYWPECCCTB-HXUWFJFHSA-N 0 0 456.004 4.596 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC/C=C\c3ccc(Br)cc3)C2)c1 ZINC001450103521 1067049217 /nfs/dbraw/zinc/04/92/17/1067049217.db2.gz BYRNQBZUZAZODK-WSGSOLELSA-N 0 0 456.384 4.831 20 0 JJADRN O=C(CNc1ccccc1Cl)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001450106106 1067049475 /nfs/dbraw/zinc/04/94/75/1067049475.db2.gz GRMBPRCTDGUQJG-UHFFFAOYSA-N 0 0 455.755 4.562 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(N3CCNC3=O)ccc2Cl)C(C)(C)O1 ZINC001458392080 1067049541 /nfs/dbraw/zinc/04/95/41/1067049541.db2.gz 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ZINC001450198371 1067059331 /nfs/dbraw/zinc/05/93/31/1067059331.db2.gz OKZOMCOGBMNMKK-LJQANCHMSA-N 0 0 454.311 4.522 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccc(C)c3C)c2)cc1 ZINC001450199772 1067059459 /nfs/dbraw/zinc/05/94/59/1067059459.db2.gz WOQWRWZLIGNRMC-UHFFFAOYSA-N 0 0 452.576 4.775 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)O[C@H](c1cc(Br)cs1)C(F)(F)F ZINC001458435668 1067059571 /nfs/dbraw/zinc/05/95/71/1067059571.db2.gz LHOFEXAETZLJTM-CQSZACIVSA-N 0 0 453.280 4.827 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H]1CC)Oc1cccc(F)c1 ZINC001546020412 1067059864 /nfs/dbraw/zinc/05/98/64/1067059864.db2.gz DQMYDIPEELVXPT-COHCJCRJSA-N 0 0 460.594 4.624 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1)OC ZINC001545771757 1067060253 /nfs/dbraw/zinc/06/02/53/1067060253.db2.gz ZDNKPKXGOFNKED-OAQYLSRUSA-N 0 0 481.641 4.637 20 0 JJADRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001458439547 1067060488 /nfs/dbraw/zinc/06/04/88/1067060488.db2.gz ZMNZQKAUZYXZFL-OCCSQVGLSA-N 0 0 451.341 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C)SC ZINC001545772449 1067060601 /nfs/dbraw/zinc/06/06/01/1067060601.db2.gz AWXBCFFFBHPKMQ-MRXNPFEDSA-N 0 0 494.503 4.686 20 0 JJADRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001458439550 1067060727 /nfs/dbraw/zinc/06/07/27/1067060727.db2.gz ZMNZQKAUZYXZFL-TZMCWYRMSA-N 0 0 451.341 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)SC ZINC001545772485 1067060724 /nfs/dbraw/zinc/06/07/24/1067060724.db2.gz BQAZOGCZGORQFY-MHPIHPPYSA-N 0 0 474.671 4.648 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458440270 1067060907 /nfs/dbraw/zinc/06/09/07/1067060907.db2.gz FLMQAXUIEZCZND-YOEHRIQHSA-N 0 0 452.045 4.963 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)OC ZINC001545772645 1067060973 /nfs/dbraw/zinc/06/09/73/1067060973.db2.gz HDYPILQKCHWJQA-HOTGVXAUSA-N 0 0 483.476 4.837 20 0 JJADRN O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450225376 1067061089 /nfs/dbraw/zinc/06/10/89/1067061089.db2.gz FUUFTKIXLRLJAJ-QILLFSRXSA-N 0 0 453.739 4.810 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C(C)C)C1)Oc1cccc(F)c1 ZINC001546020701 1067061195 /nfs/dbraw/zinc/06/11/95/1067061195.db2.gz NEKFVAQOYYXJCX-NKRSRWBGSA-N 0 0 492.661 4.577 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccc1O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450228605 1067061675 /nfs/dbraw/zinc/06/16/75/1067061675.db2.gz HQOOPBHPRBUABZ-SFHVURJKSA-N 0 0 455.308 4.636 20 0 JJADRN CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001450228602 1067061708 /nfs/dbraw/zinc/06/17/08/1067061708.db2.gz WKAYYOIAUMMSJY-VBIXMBBUSA-N 0 0 457.395 4.540 20 0 JJADRN COc1cc(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001450233239 1067061946 /nfs/dbraw/zinc/06/19/46/1067061946.db2.gz BRVORFIVFVLOPU-AREMUKBSSA-N 0 0 451.950 4.704 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545772818 1067062193 /nfs/dbraw/zinc/06/21/93/1067062193.db2.gz NILXFMRLNLNNEX-QFIPXVFZSA-N 0 0 466.630 4.792 20 0 JJADRN CN1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458445842 1067062268 /nfs/dbraw/zinc/06/22/68/1067062268.db2.gz FEFADERTNZNQNX-MEDUHNTESA-N 0 0 450.263 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC001546100804 1067062322 /nfs/dbraw/zinc/06/23/22/1067062322.db2.gz JTWKVJGMZLCIIS-SANMLTNESA-N 0 0 451.567 4.706 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001450236390 1067062398 /nfs/dbraw/zinc/06/23/98/1067062398.db2.gz JFGGHPJIRKQUDN-JKSUJKDBSA-N 0 0 456.505 4.911 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)OC ZINC001545773130 1067063352 /nfs/dbraw/zinc/06/33/52/1067063352.db2.gz XSHTVTISMQRPLU-WMLDXEAASA-N 0 0 460.928 4.960 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241226 1067063433 /nfs/dbraw/zinc/06/34/33/1067063433.db2.gz QRRLQYQXPFQUII-VXKWHMMOSA-N 0 0 459.606 4.619 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCSC2)C1)OC ZINC001545773095 1067063535 /nfs/dbraw/zinc/06/35/35/1067063535.db2.gz WKXWXURLEAPIHA-QHCPKHFHSA-N 0 0 460.644 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)SC ZINC001545773980 1067063784 /nfs/dbraw/zinc/06/37/84/1067063784.db2.gz AANDELMCKZYDEU-SFHVURJKSA-N 0 0 494.105 4.834 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)SC ZINC001545773979 1067063936 /nfs/dbraw/zinc/06/39/36/1067063936.db2.gz AANDELMCKZYDEU-GOSISDBHSA-N 0 0 494.105 4.834 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)SC ZINC001545774006 1067064139 /nfs/dbraw/zinc/06/41/39/1067064139.db2.gz AWJQXUMXETVGLQ-TZIWHRDSSA-N 0 0 488.698 4.525 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545774062 1067064672 /nfs/dbraw/zinc/06/46/72/1067064672.db2.gz CJXPPKYBQZYPJV-WIYYLYMNSA-N 0 0 487.645 4.508 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001458450649 1067064972 /nfs/dbraw/zinc/06/49/72/1067064972.db2.gz IPGCQZZESHFOCS-NSHDSACASA-N 0 0 453.347 4.851 20 0 JJADRN C[C@H](CC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450256904 1067065157 /nfs/dbraw/zinc/06/51/57/1067065157.db2.gz JIKGAMITHZRPTI-WHSLLNHNSA-N 0 0 450.542 4.618 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1)OC ZINC001545774146 1067065192 /nfs/dbraw/zinc/06/51/92/1067065192.db2.gz FORGDIUVQBZYJR-UHFFFAOYSA-N 0 0 472.630 4.707 20 0 JJADRN C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001458450616 1067065177 /nfs/dbraw/zinc/06/51/77/1067065177.db2.gz ILOQBDBACTXCSK-ZDUSSCGKSA-N 0 0 452.960 4.582 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCn1cccn1)OC ZINC001545774252 1067065530 /nfs/dbraw/zinc/06/55/30/1067065530.db2.gz JASKXBXJAAOXAN-UHFFFAOYSA-N 0 0 475.435 4.554 20 0 JJADRN C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001450260723 1067065534 /nfs/dbraw/zinc/06/55/34/1067065534.db2.gz ALKKPZZCHGPTCZ-HNNXBMFYSA-N 0 0 459.775 4.639 20 0 JJADRN CC(C)(CCC(=O)NCc1cccc(=O)[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001546100872 1067065626 /nfs/dbraw/zinc/06/56/26/1067065626.db2.gz MKZABVCJFHADQS-UHFFFAOYSA-N 0 0 459.546 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)OC ZINC001545774306 1067066072 /nfs/dbraw/zinc/06/60/72/1067066072.db2.gz KQONBYVPDNUEAW-LJQANCHMSA-N 0 0 477.049 4.826 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545774367 1067066346 /nfs/dbraw/zinc/06/63/46/1067066346.db2.gz MYOBRNWAJQSBOX-CALCHBBNSA-N 0 0 465.436 4.835 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545774357 1067066517 /nfs/dbraw/zinc/06/65/17/1067066517.db2.gz MWVMGQHFQITGMX-NQIIRXRSSA-N 0 0 487.645 4.934 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001458452663 1067066416 /nfs/dbraw/zinc/06/64/16/1067066416.db2.gz DQAPEHRRFRWUTP-JTQLQIEISA-N 0 0 451.119 4.858 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001458452666 1067066521 /nfs/dbraw/zinc/06/65/21/1067066521.db2.gz DQAPEHRRFRWUTP-SNVBAGLBSA-N 0 0 451.119 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3ncccc3NCC3CCC3)ccc21 ZINC001450267108 1067066709 /nfs/dbraw/zinc/06/67/09/1067066709.db2.gz CUIXSYYQENLJHY-UHFFFAOYSA-N 0 0 450.583 4.911 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](c2ccco2)C1)OC ZINC001545774404 1067066872 /nfs/dbraw/zinc/06/68/72/1067066872.db2.gz OCGYEENQONGRCN-IBGZPJMESA-N 0 0 454.571 4.754 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](C)C1)SC ZINC001545774542 1067067200 /nfs/dbraw/zinc/06/72/00/1067067200.db2.gz SENJPPDJNXQUAQ-INIZCTEOSA-N 0 0 450.674 4.826 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(C)on1)NC(=O)OC(C)(C)C ZINC001545774515 1067067459 /nfs/dbraw/zinc/06/74/59/1067067459.db2.gz RIVYNSZHSRHGSC-UHFFFAOYSA-N 0 0 472.590 4.863 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(C)n2)CC1)SC ZINC001545774557 1067067568 /nfs/dbraw/zinc/06/75/68/1067067568.db2.gz SXAKYALLBGOFPC-UHFFFAOYSA-N 0 0 474.700 4.855 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001458457751 1067067751 /nfs/dbraw/zinc/06/77/51/1067067751.db2.gz QEGVMHUYTIJSBP-JPYJTQIMSA-N 0 0 459.428 4.932 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(O)c2)CC1)SC ZINC001545774635 1067067769 /nfs/dbraw/zinc/06/77/69/1067067769.db2.gz WMCXLLQRDUIPME-UHFFFAOYSA-N 0 0 455.628 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CC[C@H]21 ZINC001450274836 1067067842 /nfs/dbraw/zinc/06/78/42/1067067842.db2.gz JEJAEGSTVKAQNT-MAUKXSAKSA-N 0 0 451.405 4.585 20 0 JJADRN COC(=O)[C@@H]1CN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)C[C@H]1C1CC1 ZINC001458456367 1067067894 /nfs/dbraw/zinc/06/78/94/1067067894.db2.gz RDHMLXLHDQHLFV-QWHCGFSZSA-N 0 0 461.253 4.791 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CC[C@@H]21 ZINC001450274852 1067067949 /nfs/dbraw/zinc/06/79/49/1067067949.db2.gz JEJAEGSTVKAQNT-YJBOKZPZSA-N 0 0 451.405 4.585 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457557 1067067994 /nfs/dbraw/zinc/06/79/94/1067067994.db2.gz WLWOTACSMLGOEF-MSOLQXFVSA-N 0 0 458.183 4.558 20 0 JJADRN CNC(=O)[C@@H](CNc1nc(-c2cccc(OC)c2)nc2ccccc21)Cc1ccc(F)cc1C ZINC001458456709 1067068139 /nfs/dbraw/zinc/06/81/39/1067068139.db2.gz WGISBBOAPONXJG-HXUWFJFHSA-N 0 0 458.537 4.770 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2)CC1)OC ZINC001545774711 1067068269 /nfs/dbraw/zinc/06/82/69/1067068269.db2.gz YUWCKEHGRWKPRG-UHFFFAOYSA-N 0 0 455.006 4.525 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)OC ZINC001545774731 1067068354 /nfs/dbraw/zinc/06/83/54/1067068354.db2.gz ZICVZRNJAAMLDP-GOSISDBHSA-N 0 0 474.627 4.653 20 0 JJADRN C[C@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1ccc(C(F)(F)F)nc1Cl ZINC001450278638 1067068668 /nfs/dbraw/zinc/06/86/68/1067068668.db2.gz VBXBSFXBRCXEHW-ZETCQYMHSA-N 0 0 451.758 4.545 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545775574 1067068829 /nfs/dbraw/zinc/06/88/29/1067068829.db2.gz CZGACKIRCRTSKC-HXUWFJFHSA-N 0 0 487.645 4.652 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CCOC2(CCCC2)C1 ZINC001458464532 1067068727 /nfs/dbraw/zinc/06/87/27/1067068727.db2.gz UIDKZLPKPVPUPC-LBPRGKRZSA-N 0 0 451.188 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)CC[C@H]21 ZINC001450280628 1067068791 /nfs/dbraw/zinc/06/87/91/1067068791.db2.gz PFVUFNSYARBACQ-CXAGYDPISA-N 0 0 453.461 4.538 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)c1 ZINC001458466736 1067069257 /nfs/dbraw/zinc/06/92/57/1067069257.db2.gz GDYOPABZFXQSMQ-UHFFFAOYSA-N 0 0 458.668 4.910 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCc2csc(C(C)(C)C)n2)cc1 ZINC001458465065 1067069303 /nfs/dbraw/zinc/06/93/03/1067069303.db2.gz AHCVVNJUZJOOBO-QZTJIDSGSA-N 0 0 457.640 4.581 20 0 JJADRN Cn1c2ccc(NC(=O)c3cc(Br)cnc3Br)cc2nc1C1CC1 ZINC001458465336 1067069328 /nfs/dbraw/zinc/06/93/28/1067069328.db2.gz DOJMSHXQKRYEBI-UHFFFAOYSA-N 0 0 450.134 4.623 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1 ZINC001458467535 1067069588 /nfs/dbraw/zinc/06/95/88/1067069588.db2.gz OUWQGALLENCRLN-UHFFFAOYSA-N 0 0 453.568 4.962 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)OC ZINC001545775717 1067069623 /nfs/dbraw/zinc/06/96/23/1067069623.db2.gz IRXGRGBCHKDTGW-UHFFFAOYSA-N 0 0 471.646 4.763 20 0 JJADRN O=C(Nc1cccc(CN2CCOCC2)n1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001458467458 1067069648 /nfs/dbraw/zinc/06/96/48/1067069648.db2.gz JRQBSNWEGUBQLN-UHFFFAOYSA-N 0 0 459.443 4.991 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCCO1)SC ZINC001545775951 1067069903 /nfs/dbraw/zinc/06/99/03/1067069903.db2.gz QGAWXXPRUOOYPQ-LJQANCHMSA-N 0 0 460.644 4.643 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)CN(C)c3ccc(C(F)(F)F)cc3C=O)c2s1 ZINC001450296622 1067070034 /nfs/dbraw/zinc/07/00/34/1067070034.db2.gz JQSRCDCTNDSRQE-UHFFFAOYSA-N 0 0 450.438 4.594 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001545775879 1067070071 /nfs/dbraw/zinc/07/00/71/1067070071.db2.gz NWJVIXDKTUNMMA-UHFFFAOYSA-N 0 0 483.613 4.914 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545775927 1067070084 /nfs/dbraw/zinc/07/00/84/1067070084.db2.gz PPNFKBHGCASEEL-UHFFFAOYSA-N 0 0 477.447 4.920 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N1CCCOCC1)NC(=O)OC(C)(C)C ZINC001545775901 1067070138 /nfs/dbraw/zinc/07/01/38/1067070138.db2.gz OTMITMNJMRYLBM-UHFFFAOYSA-N 0 0 494.640 4.804 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545776039 1067070350 /nfs/dbraw/zinc/07/03/50/1067070350.db2.gz UFSSZWMUIMLIIQ-LJQANCHMSA-N 0 0 487.645 4.652 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)SC ZINC001545776149 1067070761 /nfs/dbraw/zinc/07/07/61/1067070761.db2.gz XMELMDUNNWOGCO-UHFFFAOYSA-N 0 0 483.604 4.762 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3Cl)[nH]n2)c1C ZINC001450316971 1067070947 /nfs/dbraw/zinc/07/09/47/1067070947.db2.gz WRFMAAZPXYFZQD-CYBMUJFWSA-N 0 0 459.978 4.504 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001546021651 1067071034 /nfs/dbraw/zinc/07/10/34/1067071034.db2.gz MBQHORPMFOHCSY-RCZVLFRGSA-N 0 0 455.620 4.911 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545777488 1067071091 /nfs/dbraw/zinc/07/10/91/1067071091.db2.gz BXYIONSSLCXIPF-IBGZPJMESA-N 0 0 458.651 4.994 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001450334736 1067071550 /nfs/dbraw/zinc/07/15/50/1067071550.db2.gz KZDATPAQNJXPIG-ISKFKSNPSA-N 0 0 452.396 4.970 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)C1 ZINC001450337033 1067071564 /nfs/dbraw/zinc/07/15/64/1067071564.db2.gz PECHHWWGNRYCQM-IEBWSBKVSA-N 0 0 450.023 4.851 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1C(F)(F)F ZINC001450341729 1067071738 /nfs/dbraw/zinc/07/17/38/1067071738.db2.gz CZQICOAOPUFQJG-MRXNPFEDSA-N 0 0 458.267 4.970 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N(C)CCc1cnccn1)NC(=O)OC(C)(C)C ZINC001545777748 1067071996 /nfs/dbraw/zinc/07/19/96/1067071996.db2.gz LMWPIFGVDASFDK-UHFFFAOYSA-N 0 0 497.619 4.637 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)SC ZINC001545777737 1067072013 /nfs/dbraw/zinc/07/20/13/1067072013.db2.gz LFWWVULYBSVCDB-SFHVURJKSA-N 0 0 461.651 4.699 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC001546101222 1067072066 /nfs/dbraw/zinc/07/20/66/1067072066.db2.gz XVTULQMPBBPXIL-UHFFFAOYSA-N 0 0 456.707 4.854 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCCC[C@H]1C(=O)N1CC(C2CCCCC2)C1 ZINC001450346515 1067072378 /nfs/dbraw/zinc/07/23/78/1067072378.db2.gz KULBCPKEHQGHAD-FQEVSTJZSA-N 0 0 451.380 4.622 20 0 JJADRN Cc1nc([C@H](NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c2cnn(C)c2)no1 ZINC001450346312 1067072427 /nfs/dbraw/zinc/07/24/27/1067072427.db2.gz DPURPEDTFHQRAR-HSZRJFAPSA-N 0 0 459.550 4.507 20 0 JJADRN COc1cc(Oc2ncnc3c2c(Br)nn3C(C)(C)C)ccc1Br ZINC001458479373 1067072351 /nfs/dbraw/zinc/07/23/51/1067072351.db2.gz DCXBKKLNODJJKB-UHFFFAOYSA-N 0 0 456.138 4.907 20 0 JJADRN Cc1ccc(C2CCN(C(=O)c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)no3)CC2)cn1 ZINC001546101264 1067072379 /nfs/dbraw/zinc/07/23/79/1067072379.db2.gz ZDVMSVWBVBONLH-UHFFFAOYSA-N 0 0 454.571 4.512 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545777840 1067072392 /nfs/dbraw/zinc/07/23/92/1067072392.db2.gz OEQIMKGOMSYUET-RUYXUALKSA-N 0 0 456.635 4.602 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545777908 1067072530 /nfs/dbraw/zinc/07/25/30/1067072530.db2.gz PUKZWLDTMWWRBM-UHFFFAOYSA-N 0 0 475.609 4.783 20 0 JJADRN O=C(N1CC(C2CCCCC2)C1)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001450351899 1067072595 /nfs/dbraw/zinc/07/25/95/1067072595.db2.gz RZYHOLWGRJKYOR-UHFFFAOYSA-N 0 0 454.430 4.574 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)c4nc(C)ncc4Br)cc32)c1 ZINC001458481193 1067072643 /nfs/dbraw/zinc/07/26/43/1067072643.db2.gz HVFYUXIBEGALIA-UHFFFAOYSA-N 0 0 451.324 4.811 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)cc2)c1 ZINC001458481213 1067072656 /nfs/dbraw/zinc/07/26/56/1067072656.db2.gz WBVWEZRNRWNPGN-OAQYLSRUSA-N 0 0 455.436 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC001450350743 1067072856 /nfs/dbraw/zinc/07/28/56/1067072856.db2.gz UVXOGQGOZAWSMZ-VGOFRKELSA-N 0 0 453.366 4.583 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC001458481241 1067073218 /nfs/dbraw/zinc/07/32/18/1067073218.db2.gz WKEICAFMTYPJES-ZYGQPZCPSA-N 0 0 454.448 4.580 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001450359365 1067073221 /nfs/dbraw/zinc/07/32/21/1067073221.db2.gz FTIDPPMPTAYMFZ-PMACEKPBSA-N 0 0 452.954 4.664 20 0 JJADRN O=C(CCOc1cccc(Br)c1)NC1(Cc2ccccc2Br)CC1 ZINC001450355435 1067073237 /nfs/dbraw/zinc/07/32/37/1067073237.db2.gz UTYIMRZAMRNSCJ-UHFFFAOYSA-N 0 0 453.174 4.872 20 0 JJADRN CCO/C=C/[C@](O)(CNC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001450360125 1067073324 /nfs/dbraw/zinc/07/33/24/1067073324.db2.gz ZOVVWMAJFOMGMW-LXXRFIIISA-N 0 0 453.244 4.530 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ncc(Br)cc2F)CC[C@H]1C(F)(F)F ZINC001458488476 1067073532 /nfs/dbraw/zinc/07/35/32/1067073532.db2.gz ACYAECBZGQIXHV-ZYHUDNBSSA-N 0 0 456.278 4.513 20 0 JJADRN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001450360168 1067073623 /nfs/dbraw/zinc/07/36/23/1067073623.db2.gz PHEVNONADCCXQK-SFHVURJKSA-N 0 0 456.951 4.897 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001546022186 1067073663 /nfs/dbraw/zinc/07/36/63/1067073663.db2.gz YNJUSUYHWDFYHL-OFNKIYASSA-N 0 0 458.986 4.801 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001450361316 1067073721 /nfs/dbraw/zinc/07/37/21/1067073721.db2.gz RGMZKDSGZJWQLD-UHFFFAOYSA-N 0 0 456.384 4.850 20 0 JJADRN Cc1cc(Br)cc(N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001458488920 1067074043 /nfs/dbraw/zinc/07/40/43/1067074043.db2.gz FPKAARHHEPDSNC-JSGCOSHPSA-N 0 0 452.315 4.682 20 0 JJADRN CS(=O)(=O)c1cc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)ccn1 ZINC001458490981 1067074101 /nfs/dbraw/zinc/07/41/01/1067074101.db2.gz LJZHJPAQNLZGQT-UHFFFAOYSA-N 0 0 455.586 4.639 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)SC ZINC001545779356 1067074105 /nfs/dbraw/zinc/07/41/05/1067074105.db2.gz MARUFFRPHBXUPK-UHFFFAOYSA-N 0 0 472.609 4.867 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545779431 1067074146 /nfs/dbraw/zinc/07/41/46/1067074146.db2.gz NZQQTFPOXULOEL-IRXDYDNUSA-N 0 0 462.664 4.687 20 0 JJADRN Cc1cc(Br)cc(N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001458488913 1067074139 /nfs/dbraw/zinc/07/41/39/1067074139.db2.gz FPKAARHHEPDSNC-GXTWGEPZSA-N 0 0 452.315 4.682 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)SC ZINC001545779554 1067074458 /nfs/dbraw/zinc/07/44/58/1067074458.db2.gz RVQQRULTVDRULO-UHFFFAOYSA-N 0 0 452.550 4.654 20 0 JJADRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC001458495093 1067074555 /nfs/dbraw/zinc/07/45/55/1067074555.db2.gz HIJZGFJOQNJLHO-UHFFFAOYSA-N 0 0 452.923 4.997 20 0 JJADRN C[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001458494013 1067074620 /nfs/dbraw/zinc/07/46/20/1067074620.db2.gz ZPPFOOWDDGWABV-ZBFHGGJFSA-N 0 0 451.493 4.687 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nccs2)CC1)SC ZINC001545779447 1067074653 /nfs/dbraw/zinc/07/46/53/1067074653.db2.gz OEJPFFKIOAYWHZ-QGZVFWFLSA-N 0 0 459.689 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)C1 ZINC001450380082 1067074641 /nfs/dbraw/zinc/07/46/41/1067074641.db2.gz MEMAWGIMJJHEQP-VQTJNVASSA-N 0 0 451.007 4.680 20 0 JJADRN COc1cccc([C@@H](CNc2ncc(C(F)(F)F)cc2I)OC)c1 ZINC001458495977 1067074843 /nfs/dbraw/zinc/07/48/43/1067074843.db2.gz PRNHQSRZVGPHGG-CQSZACIVSA-N 0 0 452.214 4.513 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CCCCC1 ZINC001450385473 1067074979 /nfs/dbraw/zinc/07/49/79/1067074979.db2.gz KLNXXUDBAVVJKL-UHFFFAOYSA-N 0 0 455.521 4.702 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)SC ZINC001545779738 1067075416 /nfs/dbraw/zinc/07/54/16/1067075416.db2.gz YYIGEPIUMNBYOW-UHFFFAOYSA-N 0 0 474.675 4.755 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccnn2C)CC1)SC ZINC001545780634 1067075950 /nfs/dbraw/zinc/07/59/50/1067075950.db2.gz CGLCJJJPCGXUDI-UHFFFAOYSA-N 0 0 453.660 4.688 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 ZINC001450402081 1067076168 /nfs/dbraw/zinc/07/61/68/1067076168.db2.gz BKBBNSHKMWKXFA-XMMPIXPASA-N 0 0 457.998 4.759 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001450401722 1067076408 /nfs/dbraw/zinc/07/64/08/1067076408.db2.gz NAAGZDQORQGHFD-OXJNMPFZSA-N 0 0 468.997 4.771 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450399876 1067076424 /nfs/dbraw/zinc/07/64/24/1067076424.db2.gz FEJAVAYEDQEGBC-ZWKOTPCHSA-N 0 0 458.521 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](COC)C1)SC ZINC001545780807 1067076394 /nfs/dbraw/zinc/07/63/94/1067076394.db2.gz IYXJWKGSBPTBTP-HXUWFJFHSA-N 0 0 468.671 4.915 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Br)c2F)nn1CCCOc1ccc(F)cc1 ZINC001458504388 1067076564 /nfs/dbraw/zinc/07/65/64/1067076564.db2.gz CUGXCXQUKKYPRM-UHFFFAOYSA-N 0 0 450.283 4.954 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)c2ccccc2n1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450404374 1067076632 /nfs/dbraw/zinc/07/66/32/1067076632.db2.gz BHZSOZJMDFUHHL-DEOSSOPVSA-N 0 0 458.480 4.633 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)cc1 ZINC001450403213 1067076776 /nfs/dbraw/zinc/07/67/76/1067076776.db2.gz PHZFSNYODPFRIJ-UHFFFAOYSA-N 0 0 458.628 4.673 20 0 JJADRN C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccc2c(c1)CCCO2 ZINC001458502886 1067076855 /nfs/dbraw/zinc/07/68/55/1067076855.db2.gz RWSMXOIIRGNXDA-LBPRGKRZSA-N 0 0 450.848 4.798 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)SC ZINC001545781178 1067077008 /nfs/dbraw/zinc/07/70/08/1067077008.db2.gz VNMWKGKRRHUVKX-HXUWFJFHSA-N 0 0 468.675 4.620 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)nn1CCCOc1ccc(F)cc1 ZINC001458504913 1067077126 /nfs/dbraw/zinc/07/71/26/1067077126.db2.gz HSLCFZUOOUSNSF-UHFFFAOYSA-N 0 0 453.905 4.891 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)c1 ZINC001458504835 1067077176 /nfs/dbraw/zinc/07/71/76/1067077176.db2.gz GYWPVFCWMMUGFX-NRFANRHFSA-N 0 0 451.588 4.756 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001450405928 1067077205 /nfs/dbraw/zinc/07/72/05/1067077205.db2.gz DPFITLXXIOIATM-SJORKVTESA-N 0 0 454.514 4.548 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001450405269 1067077259 /nfs/dbraw/zinc/07/72/59/1067077259.db2.gz FNCYDQYIMFHKQQ-WZIVPHRBSA-N 0 0 458.599 4.745 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001450405918 1067077289 /nfs/dbraw/zinc/07/72/89/1067077289.db2.gz DPFITLXXIOIATM-IAGOWNOFSA-N 0 0 454.514 4.548 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCO[C@@H](C)C1)SC ZINC001545781272 1067077497 /nfs/dbraw/zinc/07/74/97/1067077497.db2.gz ZCBKPXIMKHGYNA-IBGZPJMESA-N 0 0 454.644 4.668 20 0 JJADRN Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)nn1CCCOc1ccc(F)cc1 ZINC001458505480 1067077492 /nfs/dbraw/zinc/07/74/92/1067077492.db2.gz JYOPVPLTRZSVST-OPAMFIHVSA-N 0 0 450.514 4.647 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)c1 ZINC001458505415 1067077519 /nfs/dbraw/zinc/07/75/19/1067077519.db2.gz YZMPHUYUDMEJCT-IRVMHKCDSA-N 0 0 454.514 4.965 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSC(C)(C)C1)OC ZINC001545781260 1067077523 /nfs/dbraw/zinc/07/75/23/1067077523.db2.gz YQSKMGGVXNLUHP-UHFFFAOYSA-N 0 0 454.644 4.668 20 0 JJADRN CC1(C)CN(C(=O)c2cnn(Cc3ccccc3)c2N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450408679 1067077767 /nfs/dbraw/zinc/07/77/67/1067077767.db2.gz MRGZXWIJHUYUJH-HXUWFJFHSA-N 0 0 458.484 4.525 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 ZINC001458505582 1067077813 /nfs/dbraw/zinc/07/78/13/1067077813.db2.gz LHVDJUNSLZHJMZ-UHFFFAOYSA-N 0 0 456.543 4.770 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NC[C@]3(C)CCCc4ccccc43)CC2=O)ccc1Br ZINC001458506473 1067077830 /nfs/dbraw/zinc/07/78/30/1067077830.db2.gz MCKQVOLPXCDVLP-KOSHJBKYSA-N 0 0 455.396 4.521 20 0 JJADRN Cc1c(=O)c2cccc(C(=O)NCc3cccnc3OCC(F)F)c2oc1-c1ccccc1 ZINC001458506557 1067077909 /nfs/dbraw/zinc/07/79/09/1067077909.db2.gz DTVXAGKDBOKMTC-UHFFFAOYSA-N 0 0 450.441 4.737 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545782138 1067077892 /nfs/dbraw/zinc/07/78/92/1067077892.db2.gz FMWWYFPHVFLFAZ-IRXDYDNUSA-N 0 0 451.681 4.959 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545782136 1067077907 /nfs/dbraw/zinc/07/79/07/1067077907.db2.gz FMWWYFPHVFLFAZ-CALCHBBNSA-N 0 0 451.681 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC001450412237 1067078466 /nfs/dbraw/zinc/07/84/66/1067078466.db2.gz OPRXQTTVMIIZNR-RBBKRZOGSA-N 0 0 453.583 4.511 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CC2)cc1 ZINC001450413276 1067078587 /nfs/dbraw/zinc/07/85/87/1067078587.db2.gz PXWMHYPSBIQHPP-DEOSSOPVSA-N 0 0 453.970 4.725 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)NC3(Cc4ccc(F)cc4Cl)CCOCC3)c2)n1 ZINC001450416030 1067078903 /nfs/dbraw/zinc/07/89/03/1067078903.db2.gz RUVUYJTYTGCXHW-UHFFFAOYSA-N 0 0 454.933 4.843 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3CC)CC2)cc1 ZINC001450416285 1067079228 /nfs/dbraw/zinc/07/92/28/1067079228.db2.gz SWDKUNGWKHFFOQ-RUZDIDTESA-N 0 0 451.542 4.558 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)cc1)OC ZINC001545783835 1067079314 /nfs/dbraw/zinc/07/93/14/1067079314.db2.gz DOAMEGBLEFHUEO-SFHVURJKSA-N 0 0 465.436 4.776 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1)OC ZINC001545783908 1067079365 /nfs/dbraw/zinc/07/93/65/1067079365.db2.gz GLDYSIDNMJCBGH-LEWJYISDSA-N 0 0 493.693 4.603 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001458518246 1067079599 /nfs/dbraw/zinc/07/95/99/1067079599.db2.gz OOHZMCYPMMGKEU-XOBRGWDASA-N 0 0 453.004 4.791 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1)SC ZINC001545784036 1067079459 /nfs/dbraw/zinc/07/94/59/1067079459.db2.gz IQKPOGKAIMGRGS-JOCHJYFZSA-N 0 0 485.698 4.712 20 0 JJADRN Cc1cccc(C2(C(=O)N3CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)CCCCC2)c1 ZINC001458521051 1067079876 /nfs/dbraw/zinc/07/98/76/1067079876.db2.gz GNYCZRPTDLEEPS-UHFFFAOYSA-N 0 0 454.014 4.633 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001450420843 1067080009 /nfs/dbraw/zinc/08/00/09/1067080009.db2.gz WPYQUXOPGFBTRH-TUNNFDKTSA-N 0 0 478.486 4.743 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545784208 1067080264 /nfs/dbraw/zinc/08/02/64/1067080264.db2.gz NBSNLWGZAJPTDC-SFTDATJTSA-N 0 0 493.693 4.855 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1)c1ccc(Cl)cc1 ZINC001450439100 1067080353 /nfs/dbraw/zinc/08/03/53/1067080353.db2.gz RNBBFQVSTAYSRN-BWKNWUBXSA-N 0 0 452.913 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC3(Cc4ccc(Cl)cc4)CCC3)nc2C1 ZINC001450436928 1067080502 /nfs/dbraw/zinc/08/05/02/1067080502.db2.gz ZTIZNHJWSJJYCD-UHFFFAOYSA-N 0 0 455.986 4.923 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@@H](CO)CC3)cc12 ZINC001450436914 1067080533 /nfs/dbraw/zinc/08/05/33/1067080533.db2.gz ZOHIKZACJQEJEF-CQSZACIVSA-N 0 0 452.407 4.996 20 0 JJADRN O=C(COc1ccc(Br)cn1)Oc1ccc(Br)cc1C(F)(F)F ZINC001458524538 1067080591 /nfs/dbraw/zinc/08/05/91/1067080591.db2.gz AIJPTJPJNBCVME-UHFFFAOYSA-N 0 0 455.024 4.610 20 0 JJADRN Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC001450442739 1067080771 /nfs/dbraw/zinc/08/07/71/1067080771.db2.gz FZGOYISGPVTDCV-GFCCVEGCSA-N 0 0 455.418 4.764 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)nn1-c1c(Cl)cccc1Cl ZINC001458524302 1067080802 /nfs/dbraw/zinc/08/08/02/1067080802.db2.gz ZVLFXHWHTYYVOY-FMKPAKJESA-N 0 0 457.452 4.807 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1ccccc1 ZINC001458526469 1067081057 /nfs/dbraw/zinc/08/10/57/1067081057.db2.gz PLIHSOFLPVEXRX-LADIEBNXSA-N 0 0 458.599 4.517 20 0 JJADRN CC(C)(C)n1nc(Br)c2c1ncnc2N1CCc2cccc(C(F)(F)F)c2C1 ZINC001458526669 1067081178 /nfs/dbraw/zinc/08/11/78/1067081178.db2.gz PUSCKSFXBJPXKY-UHFFFAOYSA-N 0 0 454.294 4.925 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450449661 1067081052 /nfs/dbraw/zinc/08/10/52/1067081052.db2.gz ZLNURDRLAHXTIZ-PZJWPPBQSA-N 0 0 452.389 4.648 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)CCCC(=O)c3ccc(Br)cc3)n2C)cc1 ZINC001450448929 1067081293 /nfs/dbraw/zinc/08/12/93/1067081293.db2.gz NTTHTHMJRDAEMB-UHFFFAOYSA-N 0 0 456.340 4.850 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001546022966 1067081471 /nfs/dbraw/zinc/08/14/71/1067081471.db2.gz RWXAWMRVVURPHN-QRFRQXIXSA-N 0 0 484.563 4.742 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001546022965 1067081533 /nfs/dbraw/zinc/08/15/33/1067081533.db2.gz RWXAWMRVVURPHN-KPFFTGBYSA-N 0 0 484.563 4.742 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC001546101729 1067081800 /nfs/dbraw/zinc/08/18/00/1067081800.db2.gz JYPORUOSELYDBN-RZTXVSJASA-N 0 0 460.594 4.597 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCc2nc3ccccc3c(=O)[nH]2)ccc1C(=O)OC(C)(C)C ZINC001458529431 1067081917 /nfs/dbraw/zinc/08/19/17/1067081917.db2.gz DXKKZORWXHCMNX-HNNXBMFYSA-N 0 0 453.564 4.860 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)CC[C@@H](C)c1ccccc1 ZINC001458528944 1067082020 /nfs/dbraw/zinc/08/20/20/1067082020.db2.gz SCHFIQVUALXXFR-QRWLVFNGSA-N 0 0 457.368 4.715 20 0 JJADRN Cc1cc2cc(C(=O)N[C@H](CO)c3ccc(Br)cc3)oc2c(Br)c1 ZINC001450451668 1067081951 /nfs/dbraw/zinc/08/19/51/1067081951.db2.gz JQSSNMGJGKZQLI-OAHLLOKOSA-N 0 0 453.130 4.730 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001546023027 1067081983 /nfs/dbraw/zinc/08/19/83/1067081983.db2.gz UKRQACXHFQDOPX-KRWDZBQOSA-N 0 0 491.011 4.800 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001546023004 1067082029 /nfs/dbraw/zinc/08/20/29/1067082029.db2.gz SVTLDNFQZNMXAJ-QGZVFWFLSA-N 0 0 490.421 4.730 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC001545785930 1067082010 /nfs/dbraw/zinc/08/20/10/1067082010.db2.gz FXIRLKTZPFBLHT-FQEVSTJZSA-N 0 0 489.636 4.684 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1c(F)cccc1F)C1CC1)SC ZINC001545786220 1067082174 /nfs/dbraw/zinc/08/21/74/1067082174.db2.gz KSUCMEKNLAHXHV-MRXNPFEDSA-N 0 0 498.665 4.549 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1F)OC ZINC001545786575 1067082407 /nfs/dbraw/zinc/08/24/07/1067082407.db2.gz RXYVLJFIYZZFEB-FQEVSTJZSA-N 0 0 495.647 4.994 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)n2C)cc1 ZINC001450455583 1067082530 /nfs/dbraw/zinc/08/25/30/1067082530.db2.gz ZMGMEMSWBMZLMG-WOJBJXKFSA-N 0 0 456.587 4.898 20 0 JJADRN CC1(c2cccc(CNC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)c2)OCCO1 ZINC001450458138 1067082558 /nfs/dbraw/zinc/08/25/58/1067082558.db2.gz DYTCYGAHLMTVBE-UHFFFAOYSA-N 0 0 456.951 4.803 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC001458531958 1067082590 /nfs/dbraw/zinc/08/25/90/1067082590.db2.gz GQIBKKRNGNEGGP-KRWDZBQOSA-N 0 0 459.365 4.997 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)c1ccc(Br)cc1 ZINC001458531283 1067082645 /nfs/dbraw/zinc/08/26/45/1067082645.db2.gz CZQKXPVDWBFVDE-LBPRGKRZSA-N 0 0 450.276 4.954 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C(C)C)C1)OC ZINC001545786686 1067082691 /nfs/dbraw/zinc/08/26/91/1067082691.db2.gz UUWKTRHXZYHLMX-SFTDATJTSA-N 0 0 460.644 4.574 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)SC ZINC001545786838 1067082951 /nfs/dbraw/zinc/08/29/51/1067082951.db2.gz XZPUDNJKKBQUKY-INIZCTEOSA-N 0 0 486.608 4.761 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546101862 1067083030 /nfs/dbraw/zinc/08/30/30/1067083030.db2.gz NFKXRSRZJNSLMO-RZPHLTDDSA-N 0 0 474.671 4.645 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1)OC ZINC001545787935 1067083144 /nfs/dbraw/zinc/08/31/44/1067083144.db2.gz CAHBHSBKLUSUQR-DEOSSOPVSA-N 0 0 464.601 4.994 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)CCO1 ZINC001546101808 1067083123 /nfs/dbraw/zinc/08/31/23/1067083123.db2.gz MBMOTJJYKHTPHE-NBGIEHNGSA-N 0 0 473.618 4.614 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2cccc(F)c2)CCO1 ZINC001546101830 1067083228 /nfs/dbraw/zinc/08/32/28/1067083228.db2.gz MLKYXFFBMFXZHZ-XNZYNNNKSA-N 0 0 474.621 4.809 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1(C)C ZINC001450471383 1067083169 /nfs/dbraw/zinc/08/31/69/1067083169.db2.gz NOQWEDMIFDIFFW-HSZRJFAPSA-N 0 0 456.652 4.969 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1)OC ZINC001545788167 1067083491 /nfs/dbraw/zinc/08/34/91/1067083491.db2.gz LIFPNNZBOAOUIL-UHFFFAOYSA-N 0 0 487.048 4.977 20 0 JJADRN CC(C)(C)c1nc(CC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cs1 ZINC001450472662 1067083548 /nfs/dbraw/zinc/08/35/48/1067083548.db2.gz MCKBLKUJQFLSBS-SFTDATJTSA-N 0 0 455.624 4.537 20 0 JJADRN CC(C)(C)c1nc(CC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cs1 ZINC001450471696 1067083564 /nfs/dbraw/zinc/08/35/64/1067083564.db2.gz MCKBLKUJQFLSBS-NHCUHLMSSA-N 0 0 455.624 4.537 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1)SC ZINC001545788006 1067083899 /nfs/dbraw/zinc/08/38/99/1067083899.db2.gz FIUOLYQDEUTSPV-UHFFFAOYSA-N 0 0 457.688 4.546 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC001458536127 1067083809 /nfs/dbraw/zinc/08/38/09/1067083809.db2.gz HLALIXNFEOAFPH-LJQANCHMSA-N 0 0 451.375 4.608 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccon1)NC(=O)OC(C)(C)C ZINC001545788211 1067084051 /nfs/dbraw/zinc/08/40/51/1067084051.db2.gz MRCRYZBHLJSRIU-UHFFFAOYSA-N 0 0 486.592 4.716 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1)OC ZINC001545788212 1067084171 /nfs/dbraw/zinc/08/41/71/1067084171.db2.gz MSQNQPRCSLLUPI-UHFFFAOYSA-N 0 0 475.653 4.542 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545788290 1067084255 /nfs/dbraw/zinc/08/42/55/1067084255.db2.gz OZOBCNHHCAUYBY-VQTJNVASSA-N 0 0 477.694 4.813 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545788288 1067084266 /nfs/dbraw/zinc/08/42/66/1067084266.db2.gz OZOBCNHHCAUYBY-PMACEKPBSA-N 0 0 477.694 4.813 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001450482770 1067084377 /nfs/dbraw/zinc/08/43/77/1067084377.db2.gz NXPYQGFCRMRZQZ-LBZQVFOQSA-N 0 0 456.514 4.750 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 ZINC001546023256 1067084475 /nfs/dbraw/zinc/08/44/75/1067084475.db2.gz ZZCJUYUGHFGSPM-HNNXBMFYSA-N 0 0 467.383 4.597 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc([S@@](C)=O)cc1 ZINC001458538976 1067084525 /nfs/dbraw/zinc/08/45/25/1067084525.db2.gz YGQWHSNQMCXHDE-INCQDFKNSA-N 0 0 458.630 4.707 20 0 JJADRN CSCc1cc(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)ccc1F ZINC001450480079 1067084543 /nfs/dbraw/zinc/08/45/43/1067084543.db2.gz XZOLQCHOKKMMIY-JTHBVZDNSA-N 0 0 456.583 4.856 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCCN(c2ncccc2F)CC1)OC ZINC001545788535 1067084978 /nfs/dbraw/zinc/08/49/78/1067084978.db2.gz XWLWTJPHJDDLQE-UHFFFAOYSA-N 0 0 480.632 4.633 20 0 JJADRN CC[C@@]1(C(=O)N2CCc3c(F)ccc(Br)c3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001450493293 1067084982 /nfs/dbraw/zinc/08/49/82/1067084982.db2.gz YHNHYHXRFBNBLC-OAQYLSRUSA-N 0 0 455.368 4.510 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001458543642 1067085231 /nfs/dbraw/zinc/08/52/31/1067085231.db2.gz MSRLUIHGGGLHTE-SFHVURJKSA-N 0 0 456.608 4.509 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545789278 1067085316 /nfs/dbraw/zinc/08/53/16/1067085316.db2.gz BBFFLNDDVDYLRZ-MOPGFXCFSA-N 0 0 488.702 4.678 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545789269 1067085335 /nfs/dbraw/zinc/08/53/35/1067085335.db2.gz AVSUWVVWIHEPIC-LEWJYISDSA-N 0 0 483.657 4.950 20 0 JJADRN COc1ccc(OC)c(CCCNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c1 ZINC001458547605 1067085780 /nfs/dbraw/zinc/08/57/80/1067085780.db2.gz OVHRVTOQCNNDQL-UHFFFAOYSA-N 0 0 457.933 4.533 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N(C)OC1CCCC1)NC(=O)OC(C)(C)C ZINC001545789332 1067085734 /nfs/dbraw/zinc/08/57/34/1067085734.db2.gz DAPSTGMWAOYFTK-UHFFFAOYSA-N 0 0 472.634 4.658 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N(C)Cc1scnc1C)NC(=O)OC(C)(C)C ZINC001545789644 1067086088 /nfs/dbraw/zinc/08/60/88/1067086088.db2.gz OGURIKYPHIYVHB-UHFFFAOYSA-N 0 0 499.685 4.749 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)c2)n1 ZINC001450524430 1067086085 /nfs/dbraw/zinc/08/60/85/1067086085.db2.gz NLPABKGHHLFNJO-UHFFFAOYSA-N 0 0 459.594 4.624 20 0 JJADRN Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001458548507 1067086054 /nfs/dbraw/zinc/08/60/54/1067086054.db2.gz OCGZQACAGPNLDQ-UHFFFAOYSA-N 0 0 459.955 4.730 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc(Br)c2)ccc1F ZINC001458548052 1067086123 /nfs/dbraw/zinc/08/61/23/1067086123.db2.gz IUPCLZWLLUMFFP-ZDUSSCGKSA-N 0 0 458.349 4.537 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)SC ZINC001545789560 1067086143 /nfs/dbraw/zinc/08/61/43/1067086143.db2.gz LOAIPMGXBVJZME-UHFFFAOYSA-N 0 0 474.078 4.877 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545789636 1067086203 /nfs/dbraw/zinc/08/62/03/1067086203.db2.gz ODSIFXSNNWRQIU-UHFFFAOYSA-N 0 0 467.639 4.630 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)c2ccccc2)CC1)OC ZINC001545789562 1067086297 /nfs/dbraw/zinc/08/62/97/1067086297.db2.gz LPNYWXOIDRBKRR-UHFFFAOYSA-N 0 0 462.642 4.574 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)OC ZINC001545789780 1067086464 /nfs/dbraw/zinc/08/64/64/1067086464.db2.gz SWOUHVQRDHWXQU-UHFFFAOYSA-N 0 0 479.600 4.708 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@H]2C)CCO1 ZINC001546102011 1067086475 /nfs/dbraw/zinc/08/64/75/1067086475.db2.gz PIDPYAGHCBCOSL-SEPYTNNBSA-N 0 0 483.440 4.842 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)OC ZINC001545789898 1067086912 /nfs/dbraw/zinc/08/69/12/1067086912.db2.gz XNDOEABAUGYXTO-HXUWFJFHSA-N 0 0 473.618 4.556 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC001450532783 1067087098 /nfs/dbraw/zinc/08/70/98/1067087098.db2.gz KSXFTENTOMSCCM-OWYHZJEWSA-N 0 0 451.405 4.895 20 0 JJADRN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2OCC(F)F)n1Cc1ccccc1 ZINC001450533166 1067087165 /nfs/dbraw/zinc/08/71/65/1067087165.db2.gz KUWVHEXXNMIYHX-UHFFFAOYSA-N 0 0 452.914 4.663 20 0 JJADRN CC[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1cccc(Cl)c1 ZINC001458558635 1067087276 /nfs/dbraw/zinc/08/72/76/1067087276.db2.gz CIMQYCJXISISSW-DIFFPNOSSA-N 0 0 450.716 4.782 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1)SC ZINC001545791029 1067087940 /nfs/dbraw/zinc/08/79/40/1067087940.db2.gz FHXMZDMOAFDMKR-UHFFFAOYSA-N 0 0 476.735 4.753 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1)SC ZINC001545791107 1067088018 /nfs/dbraw/zinc/08/80/18/1067088018.db2.gz HSOPLUFEUMRTGS-UHFFFAOYSA-N 0 0 461.623 4.537 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCSC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545791068 1067088084 /nfs/dbraw/zinc/08/80/84/1067088084.db2.gz GQBSCVZKVZMSKT-QGZVFWFLSA-N 0 0 479.716 4.956 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC001450540919 1067088037 /nfs/dbraw/zinc/08/80/37/1067088037.db2.gz CRDQZXUAORYAAS-HNNXBMFYSA-N 0 0 457.409 4.590 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OC(F)F)CCO1 ZINC001546102155 1067088274 /nfs/dbraw/zinc/08/82/74/1067088274.db2.gz SHHQLXMGXJXDTP-BSWQBHCVSA-N 0 0 478.584 4.852 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545791128 1067088406 /nfs/dbraw/zinc/08/84/06/1067088406.db2.gz HXUVJSVYRBMZAM-UZLBHIALSA-N 0 0 479.547 4.711 20 0 JJADRN C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(N2CCCCC2=O)cc1 ZINC001450541406 1067088381 /nfs/dbraw/zinc/08/83/81/1067088381.db2.gz OCYMSCRMZRRYJE-JLTOFOAXSA-N 0 0 457.983 4.537 20 0 JJADRN Cc1ccc(-c2nc(C(=O)NCCCOc3ncc(C(F)(F)F)cc3Cl)cs2)n1C ZINC001458567132 1067088502 /nfs/dbraw/zinc/08/85/02/1067088502.db2.gz DMCLBKLLLKJLNX-UHFFFAOYSA-N 0 0 458.893 4.723 20 0 JJADRN CCn1ncc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1-c1ccccc1 ZINC001458567239 1067088694 /nfs/dbraw/zinc/08/86/94/1067088694.db2.gz GDHIFYVMHJIHRO-UHFFFAOYSA-N 0 0 452.864 4.836 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@@H](C)c1ccccc1 ZINC001458567687 1067088724 /nfs/dbraw/zinc/08/87/24/1067088724.db2.gz IIQUBSJZXLFZMO-KRWDZBQOSA-N 0 0 451.544 4.953 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CC[C@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545791579 1067089567 /nfs/dbraw/zinc/08/95/67/1067089567.db2.gz YJLJDMWEEKFTOK-QHCPKHFHSA-N 0 0 463.692 4.648 20 0 JJADRN O=C(CNC(=O)N1CCCC1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001545791624 1067089757 /nfs/dbraw/zinc/08/97/57/1067089757.db2.gz ADNISECQGDVXNH-GOSISDBHSA-N 0 0 459.377 4.528 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(OC)cc2C1)SC ZINC001545792448 1067089959 /nfs/dbraw/zinc/08/99/59/1067089959.db2.gz AJDUKTFWFINHSO-UHFFFAOYSA-N 0 0 468.671 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNc3nc(C4CCCC4)ns3)cc2)CC1 ZINC001458574535 1067089991 /nfs/dbraw/zinc/08/99/91/1067089991.db2.gz AEOFIXUCYXDCAX-UHFFFAOYSA-N 0 0 457.644 4.861 20 0 JJADRN Cc1ncc(-c2ccccc2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC001458585417 1067090664 /nfs/dbraw/zinc/09/06/64/1067090664.db2.gz JHUFEZBEUCWROG-UHFFFAOYSA-N 0 0 457.983 4.992 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(=O)C2CC2)CC1)SC ZINC001545792738 1067090794 /nfs/dbraw/zinc/09/07/94/1067090794.db2.gz KMPCMVBYVOEGRW-UHFFFAOYSA-N 0 0 499.725 4.844 20 0 JJADRN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001450553985 1067090911 /nfs/dbraw/zinc/09/09/11/1067090911.db2.gz SVYPKUAGUGFURX-LJQANCHMSA-N 0 0 456.468 4.582 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1nccn1-c1ccccc1 ZINC001450553984 1067090943 /nfs/dbraw/zinc/09/09/43/1067090943.db2.gz YWSHYZOVRURBPR-FOIQADDNSA-N 0 0 456.493 4.594 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)CC(C)(C)O2 ZINC001450553345 1067090961 /nfs/dbraw/zinc/09/09/61/1067090961.db2.gz MSFLKPXGGQXDBW-QGZVFWFLSA-N 0 0 452.511 4.648 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)CCCNC(=O)NC2CCCCC2)ccc1Br ZINC001450555547 1067091064 /nfs/dbraw/zinc/09/10/64/1067091064.db2.gz OUVLZVLSEDLIRX-UHFFFAOYSA-N 0 0 452.437 4.607 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC001458588831 1067091176 /nfs/dbraw/zinc/09/11/76/1067091176.db2.gz CTRWLDSWMSRHRV-AWEZNQCLSA-N 0 0 452.780 4.947 20 0 JJADRN CN1Cc2ccccc2[C@@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586444 1067091361 /nfs/dbraw/zinc/09/13/61/1067091361.db2.gz KGCKIOMNBUZJQX-XZOQPEGZSA-N 0 0 451.364 4.872 20 0 JJADRN CCC(CC)N(CC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001450557158 1067091535 /nfs/dbraw/zinc/09/15/35/1067091535.db2.gz LXOXVXTYRKZQMK-CJAUYULYSA-N 0 0 452.595 4.966 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC001458589737 1067091620 /nfs/dbraw/zinc/09/16/20/1067091620.db2.gz SNSZVGHARTXFNL-QGZVFWFLSA-N 0 0 458.839 4.577 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)SC ZINC001545793152 1067091635 /nfs/dbraw/zinc/09/16/35/1067091635.db2.gz XPOHNLUQHRPNGZ-AZUAARDMSA-N 0 0 474.627 4.510 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)OC ZINC001545793028 1067091704 /nfs/dbraw/zinc/09/17/04/1067091704.db2.gz UESXRTLSBKZPJZ-QAPCUYQASA-N 0 0 469.399 4.619 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1)OC ZINC001545793077 1067091740 /nfs/dbraw/zinc/09/17/40/1067091740.db2.gz VNJJMQQNIQHAPB-UHFFFAOYSA-N 0 0 497.684 4.518 20 0 JJADRN COc1ccc2c(=O)[nH]n(C(=O)c3ccc(COc4ccccc4Br)cc3)c2c1 ZINC001450571324 1067091919 /nfs/dbraw/zinc/09/19/19/1067091919.db2.gz WWUSOGSURAYQKU-UHFFFAOYSA-N 0 0 453.292 4.781 20 0 JJADRN Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(F)cc1Br ZINC001450564124 1067091948 /nfs/dbraw/zinc/09/19/48/1067091948.db2.gz TYBVMLVIIFAEOC-GOSISDBHSA-N 0 0 451.336 4.971 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1nc(Br)c2ccccn21 ZINC001458595744 1067092058 /nfs/dbraw/zinc/09/20/58/1067092058.db2.gz ABMLUAUVPRVSLM-KRWDZBQOSA-N 0 0 455.743 4.859 20 0 JJADRN O=C(CCCNC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001458596374 1067092198 /nfs/dbraw/zinc/09/21/98/1067092198.db2.gz ARHUMGWDBAGRNF-QHCPKHFHSA-N 0 0 451.954 4.842 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)SC ZINC001545793226 1067092291 /nfs/dbraw/zinc/09/22/91/1067092291.db2.gz ZZXLNUWCQFCOBS-TZIWHRDSSA-N 0 0 455.672 4.705 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)SC ZINC001545794372 1067092541 /nfs/dbraw/zinc/09/25/41/1067092541.db2.gz BFRHOZPXKUBMCN-NTKDMRAZSA-N 0 0 492.661 4.692 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C)CC1)OC ZINC001545794475 1067092610 /nfs/dbraw/zinc/09/26/10/1067092610.db2.gz DTDNFKLPXBRESS-UHFFFAOYSA-N 0 0 495.697 4.509 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2=O)ccc1F ZINC001458598659 1067092733 /nfs/dbraw/zinc/09/27/33/1067092733.db2.gz CVEGKUUHYRHBAC-FDDCHVKYSA-N 0 0 451.929 4.636 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC[C@@]1(COC)OCCc2ccccc21 ZINC001450593279 1067092676 /nfs/dbraw/zinc/09/26/76/1067092676.db2.gz CFTLZAVNKAOSMD-SANMLTNESA-N 0 0 452.620 4.876 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001458602436 1067093111 /nfs/dbraw/zinc/09/31/11/1067093111.db2.gz JSLGYXNDFNNYCS-UHFFFAOYSA-N 0 0 456.674 4.637 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1)SC ZINC001545794632 1067093079 /nfs/dbraw/zinc/09/30/79/1067093079.db2.gz JNMQVVSDNLPUCZ-UHFFFAOYSA-N 0 0 481.062 4.822 20 0 JJADRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001450598368 1067093240 /nfs/dbraw/zinc/09/32/40/1067093240.db2.gz WJFLYDXGIFEXIC-IRXDYDNUSA-N 0 0 450.988 4.971 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545794694 1067093233 /nfs/dbraw/zinc/09/32/33/1067093233.db2.gz LOPRTMRQUVIGEF-OALUTQOASA-N 0 0 465.683 4.910 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC001545794671 1067093248 /nfs/dbraw/zinc/09/32/48/1067093248.db2.gz KKUXLLRBLFJPTK-HXUWFJFHSA-N 0 0 470.593 4.548 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545794696 1067093472 /nfs/dbraw/zinc/09/34/72/1067093472.db2.gz LOPRTMRQUVIGEF-RTBURBONSA-N 0 0 465.683 4.910 20 0 JJADRN CCCc1c(C(=O)OCc2cn(-c3ccc(F)cc3Cl)nn2)cnn1Cc1ccccc1 ZINC001458605158 1067093420 /nfs/dbraw/zinc/09/34/20/1067093420.db2.gz SMTQTNRMXYUACW-UHFFFAOYSA-N 0 0 453.905 4.614 20 0 JJADRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001450598361 1067093392 /nfs/dbraw/zinc/09/33/92/1067093392.db2.gz WJFLYDXGIFEXIC-DLBZAZTESA-N 0 0 450.988 4.971 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545794831 1067093614 /nfs/dbraw/zinc/09/36/14/1067093614.db2.gz PLNVTKWDEWQDNV-UHFFFAOYSA-N 0 0 473.593 4.846 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)cc1Br)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001458608171 1067093624 /nfs/dbraw/zinc/09/36/24/1067093624.db2.gz IORUUOSZIJIKIY-AWEZNQCLSA-N 0 0 455.274 4.959 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)OC ZINC001545794774 1067093806 /nfs/dbraw/zinc/09/38/06/1067093806.db2.gz ODODPJWOJLAPRR-KOSHJBKYSA-N 0 0 495.089 4.813 20 0 JJADRN COc1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1Br ZINC001458607200 1067093896 /nfs/dbraw/zinc/09/38/96/1067093896.db2.gz YVZZIFIAFOODNZ-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC ZINC001545794853 1067094054 /nfs/dbraw/zinc/09/40/54/1067094054.db2.gz PZGFVEKZZGIWRC-SFHVURJKSA-N 0 0 472.577 4.852 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458609932 1067094297 /nfs/dbraw/zinc/09/42/97/1067094297.db2.gz RAKNYYUUPXOIFS-CYBMUJFWSA-N 0 0 459.337 4.955 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)SC ZINC001545794931 1067094222 /nfs/dbraw/zinc/09/42/22/1067094222.db2.gz SDUOVHZVIFCVAC-DVECYGJZSA-N 0 0 492.661 4.692 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1)SC ZINC001545794918 1067094312 /nfs/dbraw/zinc/09/43/12/1067094312.db2.gz RTLFMYYVUYIXDS-UHFFFAOYSA-N 0 0 484.645 4.640 20 0 JJADRN C[C@@H](CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CCc2ccccc21 ZINC001450601782 1067094184 /nfs/dbraw/zinc/09/41/84/1067094184.db2.gz WKDKTNAMPCKAHV-REWPJTCUSA-N 0 0 451.611 4.990 20 0 JJADRN C[C@H](NC(=O)c1nc2ccc(Br)cn2c1F)c1ccc(Br)cc1F ZINC001450602185 1067094282 /nfs/dbraw/zinc/09/42/82/1067094282.db2.gz CKYWHGQMODIBHD-QMMMGPOBSA-N 0 0 459.088 4.629 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545795015 1067094438 /nfs/dbraw/zinc/09/44/38/1067094438.db2.gz ULKVMNNAPPREOW-CALCHBBNSA-N 0 0 454.537 4.929 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458610439 1067094460 /nfs/dbraw/zinc/09/44/60/1067094460.db2.gz UBAWAUAWJHTPDJ-UHFFFAOYSA-N 0 0 450.713 4.795 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)cc2[nH]ccc21 ZINC001450604804 1067094608 /nfs/dbraw/zinc/09/46/08/1067094608.db2.gz ADMXQLKNKHANQV-UHFFFAOYSA-N 0 0 454.280 4.933 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458610991 1067094477 /nfs/dbraw/zinc/09/44/77/1067094477.db2.gz URHRNXJFGYOIFJ-GOEBONIOSA-N 0 0 459.461 4.550 20 0 JJADRN CN1c2ccc(C(=O)NCc3ccc(Br)cc3C(F)(F)F)cc2C(C)(C)C1=O ZINC001458610934 1067094491 /nfs/dbraw/zinc/09/44/91/1067094491.db2.gz PBNYPCZHVNFICI-UHFFFAOYSA-N 0 0 455.274 4.652 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)O[C@@H](C)c2ccc(F)c(C(F)(F)F)c2)cs1)C(N)=O ZINC001458610095 1067094550 /nfs/dbraw/zinc/09/45/50/1067094550.db2.gz RRKLFSSZTDBIRZ-XPTSAGLGSA-N 0 0 450.479 4.504 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545794936 1067094603 /nfs/dbraw/zinc/09/46/03/1067094603.db2.gz SHMKNOVWCSYFPU-FQEVSTJZSA-N 0 0 450.624 4.923 20 0 JJADRN COC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2Br)cc2[nH]ccc21 ZINC001450605635 1067094686 /nfs/dbraw/zinc/09/46/86/1067094686.db2.gz FBZILVMRCFXMAU-UHFFFAOYSA-N 0 0 451.704 4.778 20 0 JJADRN CCOc1ccc2cc(C(=O)N(CCc3ccc(Cl)cc3)C[C@@H](O)C(F)(F)F)[nH]c2c1 ZINC001450607420 1067094726 /nfs/dbraw/zinc/09/47/26/1067094726.db2.gz IRABYPSMMUQLRK-HXUWFJFHSA-N 0 0 454.876 4.828 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccnn2)CC1)SC ZINC001545795012 1067094742 /nfs/dbraw/zinc/09/47/42/1067094742.db2.gz UIRRCDQAWSPUTR-UHFFFAOYSA-N 0 0 495.697 4.512 20 0 JJADRN CSc1nc(C)c(CCC(=O)Nc2ccc(C(F)(F)F)cc2Br)c(=O)[nH]1 ZINC001458611209 1067094840 /nfs/dbraw/zinc/09/48/40/1067094840.db2.gz WPNRBVFQUZWRDC-UHFFFAOYSA-N 0 0 450.280 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3oc4ccccc4c3CO)n2)CC1 ZINC001450609192 1067095035 /nfs/dbraw/zinc/09/50/35/1067095035.db2.gz MLYDMFDBUFZIOD-UHFFFAOYSA-N 0 0 457.552 4.748 20 0 JJADRN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001545796196 1067095461 /nfs/dbraw/zinc/09/54/61/1067095461.db2.gz YCOBTWXZRYULMB-AZUAARDMSA-N 0 0 452.551 4.554 20 0 JJADRN CCC(CC)(Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)SC ZINC001545795162 1067095572 /nfs/dbraw/zinc/09/55/72/1067095572.db2.gz ZYFCCLQQPYHNNY-DEOSSOPVSA-N 0 0 468.708 4.634 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)O[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612838 1067095750 /nfs/dbraw/zinc/09/57/50/1067095750.db2.gz DNGVKCDHHNMWBA-CYBMUJFWSA-N 0 0 454.470 4.692 20 0 JJADRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450615701 1067095798 /nfs/dbraw/zinc/09/57/98/1067095798.db2.gz GVGSHHXSVMZCCN-PXNSSMCTSA-N 0 0 459.635 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccccc3-n3cccn3)n2)CC1 ZINC001450613778 1067095846 /nfs/dbraw/zinc/09/58/46/1067095846.db2.gz VTQSKFPFQLKAMN-UHFFFAOYSA-N 0 0 453.568 4.696 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545796312 1067095956 /nfs/dbraw/zinc/09/59/56/1067095956.db2.gz ATPXCMAFEWCHIK-DEOSSOPVSA-N 0 0 497.684 4.995 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)SC ZINC001545796355 1067096003 /nfs/dbraw/zinc/09/60/03/1067096003.db2.gz BYDYXUXLASYWNK-SWUCNREESA-N 0 0 488.698 4.890 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 ZINC001458614422 1067096086 /nfs/dbraw/zinc/09/60/86/1067096086.db2.gz MZRXOBHEGZJJGG-UHFFFAOYSA-N 0 0 450.638 4.823 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1)OC ZINC001545796660 1067096598 /nfs/dbraw/zinc/09/65/98/1067096598.db2.gz LMLRJZCVIPRLLV-GOTSBHOMSA-N 0 0 471.621 4.836 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)SC ZINC001545796722 1067096654 /nfs/dbraw/zinc/09/66/54/1067096654.db2.gz NGPAGISBPBEIEB-LJQANCHMSA-N 0 0 481.707 4.887 20 0 JJADRN O=C(c1cccc(Br)c1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450617383 1067096668 /nfs/dbraw/zinc/09/66/68/1067096668.db2.gz ZHSZZXMIRPIBEW-YJBOKZPZSA-N 0 0 453.174 4.797 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)O[C@H]3CCOc4cc(F)ccc43)cc2)c1 ZINC001458619001 1067096760 /nfs/dbraw/zinc/09/67/60/1067096760.db2.gz GZEDLRXNGDUAJB-NRFANRHFSA-N 0 0 456.491 4.891 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCN1C(=O)OC(C)(C)C ZINC001458619718 1067096993 /nfs/dbraw/zinc/09/69/93/1067096993.db2.gz DAIRKZSIIOFUAO-YJBOKZPZSA-N 0 0 456.414 4.678 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(C)cccc2C1)OC ZINC001545796783 1067097106 /nfs/dbraw/zinc/09/71/06/1067097106.db2.gz PJHXLUYOSOQDQC-QHCPKHFHSA-N 0 0 476.625 4.638 20 0 JJADRN CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001458623470 1067097776 /nfs/dbraw/zinc/09/77/76/1067097776.db2.gz NICJDFOCGLCEFS-STQMWFEESA-N 0 0 455.399 4.585 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)OC ZINC001545797972 1067097833 /nfs/dbraw/zinc/09/78/33/1067097833.db2.gz CSVOEEFELFUSPL-UYAOXDASSA-N 0 0 493.446 4.548 20 0 JJADRN O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CC[C@H]1C(F)(F)F ZINC001450638833 1067098256 /nfs/dbraw/zinc/09/82/56/1067098256.db2.gz KMQUMZFYFIXMNA-HNNXBMFYSA-N 0 0 453.269 4.571 20 0 JJADRN COc1ccc(N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)nc1 ZINC001458629947 1067098919 /nfs/dbraw/zinc/09/89/19/1067098919.db2.gz MGSUZPUTBVDMDT-UHFFFAOYSA-N 0 0 453.424 4.633 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545798277 1067099196 /nfs/dbraw/zinc/09/91/96/1067099196.db2.gz IISHFKYPURBLQU-HSZRJFAPSA-N 0 0 488.698 4.897 20 0 JJADRN CCC(CC)[C@H](CCn1c(C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1)OC ZINC001545798301 1067099240 /nfs/dbraw/zinc/09/92/40/1067099240.db2.gz IZVUZLLTLIIKIS-LEWJYISDSA-N 0 0 465.436 4.768 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2CCn3c(Cl)ccc3[C@H]2C)cc1OCC ZINC001450658753 1067099270 /nfs/dbraw/zinc/09/92/70/1067099270.db2.gz WJNJTWKSLKSEKM-CYBMUJFWSA-N 0 0 455.780 4.847 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC001450661043 1067099463 /nfs/dbraw/zinc/09/94/63/1067099463.db2.gz KYXRSJHFWOHMBH-OBZJFUGQSA-N 0 0 454.570 4.530 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001546024898 1067099688 /nfs/dbraw/zinc/09/96/88/1067099688.db2.gz UUJCGKBTUGOKSD-OALUTQOASA-N 0 0 478.584 4.741 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 ZINC001546024855 1067099707 /nfs/dbraw/zinc/09/97/07/1067099707.db2.gz SJOWPMVONKYLKI-FQEVSTJZSA-N 0 0 483.838 4.529 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)c2ccc(F)c3ccccc32)cc1 ZINC001450663554 1067099822 /nfs/dbraw/zinc/09/98/22/1067099822.db2.gz UKVFHPBPGGUORW-HNNXBMFYSA-N 0 0 450.539 4.802 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)OC ZINC001545798403 1067099930 /nfs/dbraw/zinc/09/99/30/1067099930.db2.gz KNRGQMGSQSVWDR-GMAHTHKFSA-N 0 0 480.661 4.635 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C)C1)OC ZINC001545798412 1067099947 /nfs/dbraw/zinc/09/99/47/1067099947.db2.gz KQJKLGUKNYLPJU-IERDGZPVSA-N 0 0 495.462 4.783 20 0 JJADRN COC(=O)CCN(C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12)c1ccccc1C ZINC001458654142 1067100753 /nfs/dbraw/zinc/10/07/53/1067100753.db2.gz BAHBEVQAICRIJB-UHFFFAOYSA-N 0 0 456.546 4.770 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)OC ZINC001545798630 1067101754 /nfs/dbraw/zinc/10/17/54/1067101754.db2.gz OIJVWOHRNVOWNN-NVQXNPDNSA-N 0 0 470.589 4.925 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)NCCc1nc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001450678133 1067101879 /nfs/dbraw/zinc/10/18/79/1067101879.db2.gz MRAIINXWJQRQNS-IBGZPJMESA-N 0 0 453.539 4.541 20 0 JJADRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001450681336 1067102035 /nfs/dbraw/zinc/10/20/35/1067102035.db2.gz AMVOANPTEJAGEU-HXUWFJFHSA-N 0 0 459.440 4.637 20 0 JJADRN O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450681301 1067102077 /nfs/dbraw/zinc/10/20/77/1067102077.db2.gz WKXIMCFPEZWRSF-ONOMSOESSA-N 0 0 454.375 4.530 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)OC ZINC001545798693 1067101961 /nfs/dbraw/zinc/10/19/61/1067101961.db2.gz POWLEHKCXVVQHD-DENIHFKCSA-N 0 0 486.661 4.627 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1 ZINC001458660465 1067102545 /nfs/dbraw/zinc/10/25/45/1067102545.db2.gz TZILYTPTATTXKB-SFHVURJKSA-N 0 0 456.633 4.683 20 0 JJADRN Cc1ccc([C@H](CC(F)(F)F)NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001458659687 1067102617 /nfs/dbraw/zinc/10/26/17/1067102617.db2.gz PUMAHDPWXKWDME-INIZCTEOSA-N 0 0 453.262 4.762 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)OC ZINC001545799013 1067102934 /nfs/dbraw/zinc/10/29/34/1067102934.db2.gz VSNWDXVZYCKGLR-DEOSSOPVSA-N 0 0 482.673 4.553 20 0 JJADRN COC(=O)COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 ZINC001458660709 1067103141 /nfs/dbraw/zinc/10/31/41/1067103141.db2.gz QGVWVHPCCFJQMZ-UHFFFAOYSA-N 0 0 456.857 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)CCCOc3ccc4c(c3)CCC4)CC2)C1 ZINC001450688689 1067103156 /nfs/dbraw/zinc/10/31/56/1067103156.db2.gz HAMONXSAGLYJFV-QHCPKHFHSA-N 0 0 456.627 4.830 20 0 JJADRN O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001450688723 1067103178 /nfs/dbraw/zinc/10/31/78/1067103178.db2.gz LCTASKLPFBGAFO-RDJZCZTQSA-N 0 0 453.391 4.616 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)NCc1nc2cc(Br)ccc2o1 ZINC001450687512 1067103230 /nfs/dbraw/zinc/10/32/30/1067103230.db2.gz GKGCXFNGGVMZBR-UHFFFAOYSA-N 0 0 458.537 4.865 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545799101 1067103820 /nfs/dbraw/zinc/10/38/20/1067103820.db2.gz WUKCOWTXLPXAEO-BWAGFHJFSA-N 0 0 486.661 4.531 20 0 JJADRN COCc1nc2sc(C(=O)N(Cc3ccc(OC)cc3)[C@@H](C)C3CC3)c(C)c2c(OC)n1 ZINC001450690682 1067104079 /nfs/dbraw/zinc/10/40/79/1067104079.db2.gz NNZVSDUVTRIIBH-HNNXBMFYSA-N 0 0 455.580 4.604 20 0 JJADRN CCOCc1nc(Cl)cc(N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC001458665888 1067104473 /nfs/dbraw/zinc/10/44/73/1067104473.db2.gz MBMVAMSEKXZXQR-QGZVFWFLSA-N 0 0 453.027 4.920 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC001545800055 1067105590 /nfs/dbraw/zinc/10/55/90/1067105590.db2.gz AJESMMDONHVVNC-TZIWHRDSSA-N 0 0 469.659 4.725 20 0 JJADRN COc1cc(N)c(C(=O)NCCc2cccc(OCc3ccccc3)c2)cc1Br ZINC001545799846 1067105624 /nfs/dbraw/zinc/10/56/24/1067105624.db2.gz UTJYAIPZJAVLQI-UHFFFAOYSA-N 0 0 455.352 4.591 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C)cs2)C1)OC ZINC001545800053 1067105666 /nfs/dbraw/zinc/10/56/66/1067105666.db2.gz AJESMMDONHVVNC-FPOVZHCZSA-N 0 0 469.659 4.725 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1c1nc(C(F)(F)F)ns1 ZINC001458670478 1067105894 /nfs/dbraw/zinc/10/58/94/1067105894.db2.gz 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4.677 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1)OC ZINC001545800597 1067107384 /nfs/dbraw/zinc/10/73/84/1067107384.db2.gz JIYDSAWGGHLIPA-RCZVLFRGSA-N 0 0 461.050 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C(=O)c1cccs1)C2 ZINC001450702891 1067107564 /nfs/dbraw/zinc/10/75/64/1067107564.db2.gz LLIYYDIBXFKZRG-RUZDIDTESA-N 0 0 454.592 4.842 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3ccc4[nH]ccc4c3)C2=O)ccc1Br ZINC001458680381 1067107588 /nfs/dbraw/zinc/10/75/88/1067107588.db2.gz IBURAIOAJBSHOJ-OWLMGLOSSA-N 0 0 452.352 4.564 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545800856 1067107902 /nfs/dbraw/zinc/10/79/02/1067107902.db2.gz NODMOYGQHKDRFX-RTWAWAEBSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccc(Cl)s3)C2=O)ccc1Br ZINC001458683134 1067108117 /nfs/dbraw/zinc/10/81/17/1067108117.db2.gz OAWITOLOGYRFPR-INIZCTEOSA-N 0 0 455.805 4.717 20 0 JJADRN CSc1ncc(I)c(N2CCC(c3ccc4[nH]ccc4c3)CC2)n1 ZINC001458681474 1067108227 /nfs/dbraw/zinc/10/82/27/1067108227.db2.gz QVIAENDIYSDGRJ-UHFFFAOYSA-N 0 0 450.349 4.668 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)[C@H](C)C2CC2)c(OC)c1 ZINC001450708133 1067108782 /nfs/dbraw/zinc/10/87/82/1067108782.db2.gz CMNNFKRMMBDKML-MRXNPFEDSA-N 0 0 458.555 4.762 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001546102767 1067108970 /nfs/dbraw/zinc/10/89/70/1067108970.db2.gz KEEYGYDEBGPNIX-FUHWJXTLSA-N 0 0 469.420 4.590 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(OC)CC1)OC ZINC001545801481 1067109426 /nfs/dbraw/zinc/10/94/26/1067109426.db2.gz WSXBKBXJAZPCHB-WXVAWEFUSA-N 0 0 496.656 4.831 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(c2ccccc2)C1)OC ZINC001545801324 1067109448 /nfs/dbraw/zinc/10/94/48/1067109448.db2.gz UTMFJWPWBFZXIT-OZXSUGGESA-N 0 0 451.615 4.867 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)c3ccc(Cl)s3)C2=O)ccc1Br ZINC001458686535 1067109428 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RBLDCFCNSKGGQV-HJPURHCSSA-N 0 0 455.576 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC001458694905 1067110791 /nfs/dbraw/zinc/11/07/91/1067110791.db2.gz SZXRXYPTKBGJEA-SJLPKXTDSA-N 0 0 450.377 4.630 20 0 JJADRN Cc1noc(-c2ccc(CNC(=O)C[C@@H](NC(=O)c3ccc(C)cc3)c3ccccc3)cc2)n1 ZINC001458691778 1067110853 /nfs/dbraw/zinc/11/08/53/1067110853.db2.gz QYKLYKJDZCHQPU-XMMPIXPASA-N 0 0 454.530 4.531 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545802938 1067111182 /nfs/dbraw/zinc/11/11/82/1067111182.db2.gz FGYVRLOIJJXRST-VXKWHMMOSA-N 0 0 475.703 4.607 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001450729076 1067111675 /nfs/dbraw/zinc/11/16/75/1067111675.db2.gz MIZTVLKWVKEPNP-NRFANRHFSA-N 0 0 452.530 4.774 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001450731530 1067112166 /nfs/dbraw/zinc/11/21/66/1067112166.db2.gz KFNXGLJBHCRHFB-KRWDZBQOSA-N 0 0 457.880 4.742 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001450731532 1067112276 /nfs/dbraw/zinc/11/22/76/1067112276.db2.gz KFNXGLJBHCRHFB-QGZVFWFLSA-N 0 0 457.880 4.742 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC ZINC001545803403 1067112684 /nfs/dbraw/zinc/11/26/84/1067112684.db2.gz MXGJYKBVHXYXSO-WOJBJXKFSA-N 0 0 453.553 4.884 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccsc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545803412 1067112771 /nfs/dbraw/zinc/11/27/71/1067112771.db2.gz NDQIAPOOMQKGHR-FCHUYYIVSA-N 0 0 460.688 4.903 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2C1)OC ZINC001545803443 1067113430 /nfs/dbraw/zinc/11/34/30/1067113430.db2.gz NYGHRBRCRBOIGM-XMMPIXPASA-N 0 0 469.580 4.946 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC001450738906 1067113551 /nfs/dbraw/zinc/11/35/51/1067113551.db2.gz FUHQUXNQRUVMPM-OAQYLSRUSA-N 0 0 453.457 4.986 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(c1cc(Cl)nc([C@@H]3CCCO3)n1)CC2 ZINC001458712687 1067113558 /nfs/dbraw/zinc/11/35/58/1067113558.db2.gz KCZKIXNISSRHQK-SJORKVTESA-N 0 0 451.011 4.893 20 0 JJADRN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001458712844 1067113588 /nfs/dbraw/zinc/11/35/88/1067113588.db2.gz BSAGBYBCLPFGTQ-UHFFFAOYSA-N 0 0 457.958 4.792 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)CC2)c(C)c1 ZINC001458716415 1067114306 /nfs/dbraw/zinc/11/43/06/1067114306.db2.gz PYSBMAIBPDBUAA-UQBPGWFLSA-N 0 0 454.636 4.534 20 0 JJADRN Cc1c(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cccc1N1CN=NC1=O ZINC001450740863 1067114376 /nfs/dbraw/zinc/11/43/76/1067114376.db2.gz IIRLURJQXVVIRJ-OAQYLSRUSA-N 0 0 452.873 4.833 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)OC ZINC001545803813 1067114737 /nfs/dbraw/zinc/11/47/37/1067114737.db2.gz VGYZXTUCOSUWIV-XZOQPEGZSA-N 0 0 477.600 4.576 20 0 JJADRN CCC(CC)[C@H](CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545803951 1067114764 /nfs/dbraw/zinc/11/47/64/1067114764.db2.gz XQCOWJFSGDMNGP-OALUTQOASA-N 0 0 451.656 4.520 20 0 JJADRN CCC(CC)[C@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545803815 1067114786 /nfs/dbraw/zinc/11/47/86/1067114786.db2.gz VIUMFTSELZCFJO-ICSRJNTNSA-N 0 0 465.683 4.768 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001458717102 1067114807 /nfs/dbraw/zinc/11/48/07/1067114807.db2.gz AJPAHXJHFWASDW-APWZRJJASA-N 0 0 457.596 4.959 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 ZINC001450746032 1067114920 /nfs/dbraw/zinc/11/49/20/1067114920.db2.gz IKYUAIALOABZSQ-QHCPKHFHSA-N 0 0 457.530 4.816 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)NC(c2ccccc2C)c2ccccc2C)cs1)C(N)=O ZINC001458716722 1067114917 /nfs/dbraw/zinc/11/49/17/1067114917.db2.gz RHOVWPOORZWUSW-HXUWFJFHSA-N 0 0 453.633 4.564 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001458717103 1067114962 /nfs/dbraw/zinc/11/49/62/1067114962.db2.gz AJPAHXJHFWASDW-LPHOPBHVSA-N 0 0 457.596 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC001450744044 1067115044 /nfs/dbraw/zinc/11/50/44/1067115044.db2.gz HIHUDHYJAVUGKI-SQNIBIBYSA-N 0 0 456.505 4.687 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545803959 1067115430 /nfs/dbraw/zinc/11/54/30/1067115430.db2.gz XTJIUVHJEVVZFJ-GOTSBHOMSA-N 0 0 482.673 4.609 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001545804106 1067115475 /nfs/dbraw/zinc/11/54/75/1067115475.db2.gz AIELLFKQRYLONM-OALUTQOASA-N 0 0 460.619 4.944 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2ccccc2C)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)OC ZINC001545804073 1067115514 /nfs/dbraw/zinc/11/55/14/1067115514.db2.gz ZLBNRTKTZHPIBV-RBJSKKJNSA-N 0 0 484.685 4.793 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC001450746123 1067115690 /nfs/dbraw/zinc/11/56/90/1067115690.db2.gz IORUVHWSRNZBRG-DEOSSOPVSA-N 0 0 452.576 4.561 20 0 JJADRN Cn1cc(Br)c(C(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)cc1=O ZINC001450748754 1067115701 /nfs/dbraw/zinc/11/57/01/1067115701.db2.gz SBYAGLUGDACCTK-UHFFFAOYSA-N 0 0 450.695 4.936 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CCOC(C)(C)C2)CCC(=O)N1c1ccc(C)cc1 ZINC001458721158 1067116165 /nfs/dbraw/zinc/11/61/65/1067116165.db2.gz XVKPLTHBJHKLQM-RZTXVSJASA-N 0 0 450.579 4.562 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001450751355 1067116203 /nfs/dbraw/zinc/11/62/03/1067116203.db2.gz HMYNIKRQADGSKQ-PMACEKPBSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cc(N2CC[C@H](NC(=O)[C@H](C)c3ccc4ccccc4c3)C2=O)ccc1Br ZINC001458720558 1067116232 /nfs/dbraw/zinc/11/62/32/1067116232.db2.gz IJFGAGUUNXTDTE-ZHRRBRCNSA-N 0 0 451.364 4.936 20 0 JJADRN Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n1C)C2 ZINC001450749888 1067116323 /nfs/dbraw/zinc/11/63/23/1067116323.db2.gz UFWPMMSZBSUKFF-PZJWPPBQSA-N 0 0 453.583 4.529 20 0 JJADRN CC[C@H](C)n1c(S[C@H](Cc2ccccc2)C(N)=O)nc2sc3c(c2c1=O)CCCCC3 ZINC001458722300 1067116898 /nfs/dbraw/zinc/11/68/98/1067116898.db2.gz BCMYRIUMXKILCT-HNAYVOBHSA-N 0 0 455.649 4.887 20 0 JJADRN CC(C)[C@@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 ZINC001458722248 1067116970 /nfs/dbraw/zinc/11/69/70/1067116970.db2.gz APTMYRIUOZXUTP-GOSISDBHSA-N 0 0 455.649 4.522 20 0 JJADRN COc1cccc(-n2c3nnc(SCCCCOC(C)(C)C)n3c3ccccc3c2=O)c1 ZINC001458724035 1067117543 /nfs/dbraw/zinc/11/75/43/1067117543.db2.gz CQRGORREMWBCEL-UHFFFAOYSA-N 0 0 452.580 4.729 20 0 JJADRN COc1cc(Br)ccc1CCCSc1nnc(-c2ccccc2Cl)n1N ZINC001458725354 1067118709 /nfs/dbraw/zinc/11/87/09/1067118709.db2.gz FNXCORMVRCOJID-UHFFFAOYSA-N 0 0 453.793 4.808 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCC[C@H]1CCOC1 ZINC001458725546 1067118739 /nfs/dbraw/zinc/11/87/39/1067118739.db2.gz FYBQEMQFNDTGEN-GOSISDBHSA-N 0 0 451.658 4.530 20 0 JJADRN CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cccc(I)c1 ZINC001458726051 1067118750 /nfs/dbraw/zinc/11/87/50/1067118750.db2.gz OPMBWICZLLZNGN-GFCCVEGCSA-N 0 0 451.333 4.780 20 0 JJADRN COc1cc(-c2nnc(SC[C@@H]3CCO[C@@H]3C)n2-c2ccccc2F)cc(OC)c1OC ZINC001458726348 1067118877 /nfs/dbraw/zinc/11/88/77/1067118877.db2.gz JRFRKZPGQVZVHK-CABCVRRESA-N 0 0 459.543 4.616 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001458728738 1067120992 /nfs/dbraw/zinc/12/09/92/1067120992.db2.gz UMURLGZQFVVTPM-IBVKSMDESA-N 0 0 458.558 4.847 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001458728382 1067121061 /nfs/dbraw/zinc/12/10/61/1067121061.db2.gz UGADKCVRYWTOKK-IBGZPJMESA-N 0 0 455.530 4.792 20 0 JJADRN CC(C)n1cc2c(n1)[C@@H](NC(=O)[C@@]1(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001458729599 1067121645 /nfs/dbraw/zinc/12/16/45/1067121645.db2.gz UGGZCUPRMLCMDS-WOVHNISZSA-N 0 0 452.599 4.583 20 0 JJADRN CCCS(=O)(=O)CCSc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001458729880 1067122060 /nfs/dbraw/zinc/12/20/60/1067122060.db2.gz LVDLBDYVKKKBLC-UHFFFAOYSA-N 0 0 451.411 4.976 20 0 JJADRN Cc1cc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)nn1-c1ccc(F)cc1F ZINC001450797637 1067122524 /nfs/dbraw/zinc/12/25/24/1067122524.db2.gz YWCDXHVIWDUOON-UHFFFAOYSA-N 0 0 459.806 4.967 20 0 JJADRN CCC[C@H](CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC001458730994 1067122946 /nfs/dbraw/zinc/12/29/46/1067122946.db2.gz IRSQXDOWWBFZIK-OAHLLOKOSA-N 0 0 454.398 4.638 20 0 JJADRN COc1ccc(CC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1OC(F)F ZINC001458731767 1067123000 /nfs/dbraw/zinc/12/30/00/1067123000.db2.gz ZMMXUHKCNJXRSC-QGZVFWFLSA-N 0 0 458.530 4.885 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC001458732121 1067123605 /nfs/dbraw/zinc/12/36/05/1067123605.db2.gz ZJEWSIDHAPUCRJ-OAQYLSRUSA-N 0 0 453.380 4.617 20 0 JJADRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)c2nncn2C)cc1Cl ZINC001458732081 1067123617 /nfs/dbraw/zinc/12/36/17/1067123617.db2.gz NZAJMTARGBFPHB-HMHNVIDESA-N 0 0 459.984 4.777 20 0 JJADRN CC(C)(C)C(=O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C ZINC001545806886 1067123564 /nfs/dbraw/zinc/12/35/64/1067123564.db2.gz UDRFJJZKMBYQPS-HSZRJFAPSA-N 0 0 450.579 4.671 20 0 JJADRN O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC001545806726 1067123598 /nfs/dbraw/zinc/12/35/98/1067123598.db2.gz PBTHJKYXMXMDBZ-OAQYLSRUSA-N 0 0 455.436 4.923 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cccc(Br)c1Cl ZINC001458733618 1067123970 /nfs/dbraw/zinc/12/39/70/1067123970.db2.gz OPFGRRRBILMGKK-KBXCAEBGSA-N 0 0 450.760 4.884 20 0 JJADRN CCc1ccc(OCc2nnc(SCc3ccc4oc(=O)n(C)c4c3)n2CC(C)C)cc1 ZINC001458734004 1067124790 /nfs/dbraw/zinc/12/47/90/1067124790.db2.gz NKUQRDAOZZYKLX-UHFFFAOYSA-N 0 0 452.580 4.813 20 0 JJADRN C[C@H](c1nnc(SCC[C@@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)N(C)C ZINC001458733792 1067124886 /nfs/dbraw/zinc/12/48/86/1067124886.db2.gz LDXXQGZZVQOAIC-KUHUBIRLSA-N 0 0 457.600 4.624 20 0 JJADRN CC(C)Oc1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1Cl ZINC001458736532 1067125487 /nfs/dbraw/zinc/12/54/87/1067125487.db2.gz SBCUBBXIHAJXSG-HXUWFJFHSA-N 0 0 451.748 4.857 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(SC[C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1 ZINC001458734823 1067125563 /nfs/dbraw/zinc/12/55/63/1067125563.db2.gz SYSZXNGKXJNZME-LJQANCHMSA-N 0 0 455.649 4.818 20 0 JJADRN Cc1sc2nc(S[C@H](C)C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n(C)c(=O)c2c1C ZINC001458736510 1067126219 /nfs/dbraw/zinc/12/62/19/1067126219.db2.gz TVZGAOHJAUHKSR-GDBMZVCRSA-N 0 0 455.649 4.849 20 0 JJADRN CN(C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCC(F)(F)CC1 ZINC001450825703 1067126418 /nfs/dbraw/zinc/12/64/18/1067126418.db2.gz GWKLZTKKTUKNLF-UHFFFAOYSA-N 0 0 455.596 4.935 20 0 JJADRN Cc1cccc(C2(C(=O)N3CCC([C@H]4OCCC[C@H]4NC(=O)OC(C)(C)C)CC3)CCC2)c1 ZINC001450827059 1067126508 /nfs/dbraw/zinc/12/65/08/1067126508.db2.gz FFHFVPARJRSACL-DHIUTWEWSA-N 0 0 456.627 4.728 20 0 JJADRN CCn1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC001450830913 1067127173 /nfs/dbraw/zinc/12/71/73/1067127173.db2.gz LWDBGQNYPMNWQH-REWPJTCUSA-N 0 0 455.599 4.586 20 0 JJADRN CC(C)OCCCn1c(=O)c2ccccc2nc1SCC(=O)c1c[nH]c2ccc(F)cc21 ZINC001458738989 1067127405 /nfs/dbraw/zinc/12/74/05/1067127405.db2.gz XJUWWVJXCBXFBD-UHFFFAOYSA-N 0 0 453.539 4.807 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCc1nccs1 ZINC001546026629 1067127651 /nfs/dbraw/zinc/12/76/51/1067127651.db2.gz VHRZWFAZHMWMNK-UHFFFAOYSA-N 0 0 478.460 4.703 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC001450835012 1067128836 /nfs/dbraw/zinc/12/88/36/1067128836.db2.gz SHCFODDXTWBQBZ-BXXSPATCSA-N 0 0 456.627 4.737 20 0 JJADRN CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCCN1CCOC[C@H]1C ZINC001458742123 1067128847 /nfs/dbraw/zinc/12/88/47/1067128847.db2.gz HBSXZQZCDYOAKE-QGZVFWFLSA-N 0 0 458.027 4.975 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001546026684 1067128896 /nfs/dbraw/zinc/12/88/96/1067128896.db2.gz XPHLUCTYJZIFJJ-OAQYLSRUSA-N 0 0 470.017 4.730 20 0 JJADRN COC(=O)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)c1cccc(Br)c1 ZINC001458744910 1067129659 /nfs/dbraw/zinc/12/96/59/1067129659.db2.gz HDBRNICAKONVHN-HNNXBMFYSA-N 0 0 452.761 4.904 20 0 JJADRN CN(C)C(=O)Sc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001458745983 1067130343 /nfs/dbraw/zinc/13/03/43/1067130343.db2.gz XEFVSHFVUJDCDF-FQEVSTJZSA-N 0 0 452.363 4.734 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001546103196 1067130372 /nfs/dbraw/zinc/13/03/72/1067130372.db2.gz CIDRORVVEMTQFP-RXFWQSSRSA-N 0 0 453.631 4.715 20 0 JJADRN COC(=O)CCCc1nc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1 ZINC001458746732 1067130383 /nfs/dbraw/zinc/13/03/83/1067130383.db2.gz KORGCIPGARFMPK-UHFFFAOYSA-N 0 0 456.955 4.909 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC001450843077 1067131120 /nfs/dbraw/zinc/13/11/20/1067131120.db2.gz IJWSKPNWLBWEJN-INIZCTEOSA-N 0 0 459.329 4.874 20 0 JJADRN CC[C@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2S[C@@H]2CCN(OC)C2=O)cc1 ZINC001458749846 1067131543 /nfs/dbraw/zinc/13/15/43/1067131543.db2.gz RTOYFUGWFKVKCG-VBKZILBWSA-N 0 0 457.983 4.807 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC001450848187 1067131703 /nfs/dbraw/zinc/13/17/03/1067131703.db2.gz DELNUBMRVFBKNO-GMAHTHKFSA-N 0 0 453.583 4.606 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450849066 1067131810 /nfs/dbraw/zinc/13/18/10/1067131810.db2.gz MOTHHBSVGHFYHJ-HIFRSBDPSA-N 0 0 450.377 4.553 20 0 JJADRN COC(=O)[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1C ZINC001458755168 1067132129 /nfs/dbraw/zinc/13/21/29/1067132129.db2.gz VYVUGABLBPHXSE-QFIPXVFZSA-N 0 0 454.571 4.707 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001546026489 1067133125 /nfs/dbraw/zinc/13/31/25/1067133125.db2.gz PUJIXUNOHCRWTA-QFIPXVFZSA-N 0 0 477.447 4.574 20 0 JJADRN Cn1c(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)nc2ccc(F)cc21 ZINC001458759677 1067133471 /nfs/dbraw/zinc/13/34/71/1067133471.db2.gz KYYZYACZRNDKLD-UHFFFAOYSA-N 0 0 455.536 4.519 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458759687 1067133528 /nfs/dbraw/zinc/13/35/28/1067133528.db2.gz KZFIQEDDSIHBAH-UEVCKROQSA-N 0 0 458.961 4.710 20 0 JJADRN Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3CCCCN3C(=O)C=Cc3ccc(Cl)cc3)c2C)o1 ZINC001450902160 1067134547 /nfs/dbraw/zinc/13/45/47/1067134547.db2.gz OAVWADLLINVPRQ-RKWFYDHTSA-N 0 0 452.942 4.973 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC)(CC)C1)NC(=O)OC(C)(C)C ZINC001546103323 1067135947 /nfs/dbraw/zinc/13/59/47/1067135947.db2.gz GYLJKKGEPCHTHY-UHFFFAOYSA-N 0 0 478.682 4.516 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001546027453 1067136004 /nfs/dbraw/zinc/13/60/04/1067136004.db2.gz AAJVVAHPHGKJCO-UTKZUKDTSA-N 0 0 456.612 4.533 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001546027452 1067136078 /nfs/dbraw/zinc/13/60/78/1067136078.db2.gz AAJVVAHPHGKJCO-LAUBAEHRSA-N 0 0 456.612 4.533 20 0 JJADRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001458767654 1067136084 /nfs/dbraw/zinc/13/60/84/1067136084.db2.gz DPOUQFVGZZSINX-UHFFFAOYSA-N 0 0 455.234 4.949 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCC3N=NC(=O)S3)n2-c2ccccc2C)cc1 ZINC001458768941 1067136671 /nfs/dbraw/zinc/13/66/71/1067136671.db2.gz KRMUYIAXNIIZOZ-UHFFFAOYSA-N 0 0 452.609 4.938 20 0 JJADRN CCCOC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 ZINC001458769684 1067136709 /nfs/dbraw/zinc/13/67/09/1067136709.db2.gz LRQQHWWVSOHZDX-CQSZACIVSA-N 0 0 458.605 4.768 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC3(Cc4ccccc4)CCCC3)c2)C1 ZINC001458769151 1067136752 /nfs/dbraw/zinc/13/67/52/1067136752.db2.gz UDSFELBCLOWTQT-NHCUHLMSSA-N 0 0 454.636 4.639 20 0 JJADRN O=C(NCC1(Br)CC1)c1cccnc1SCc1cccc(Br)c1 ZINC001450937692 1067136687 /nfs/dbraw/zinc/13/66/87/1067136687.db2.gz BGKMKGKPNRVMRH-UHFFFAOYSA-N 0 0 456.203 4.794 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC001450947420 1067136763 /nfs/dbraw/zinc/13/67/63/1067136763.db2.gz PZGDMRHNOFOGDD-LJQANCHMSA-N 0 0 452.636 4.965 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CCCCC1 ZINC001450952948 1067136794 /nfs/dbraw/zinc/13/67/94/1067136794.db2.gz ZADFRMDMKOMQDI-UHFFFAOYSA-N 0 0 458.599 4.586 20 0 JJADRN COc1ccccc1-n1c(=O)c2ccccc2nc1SC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458769768 1067137293 /nfs/dbraw/zinc/13/72/93/1067137293.db2.gz MIVUYSWLDNAONB-IFXJQAMLSA-N 0 0 450.482 4.986 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001546027610 1067137384 /nfs/dbraw/zinc/13/73/84/1067137384.db2.gz GACSVLSNUBBXAS-FQEVSTJZSA-N 0 0 484.563 4.689 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001546027577 1067137394 /nfs/dbraw/zinc/13/73/94/1067137394.db2.gz DPECOUGWWCESBJ-LJQANCHMSA-N 0 0 454.571 4.756 20 0 JJADRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl)c1ccccn1 ZINC001450963018 1067137430 /nfs/dbraw/zinc/13/74/30/1067137430.db2.gz MSMNIVOKXAAHFW-NRFANRHFSA-N 0 0 457.983 4.831 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](CSc2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001458771596 1067138462 /nfs/dbraw/zinc/13/84/62/1067138462.db2.gz RBFGMYAVXSLPRI-OAQYLSRUSA-N 0 0 451.573 4.857 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC001450995092 1067138573 /nfs/dbraw/zinc/13/85/73/1067138573.db2.gz SYHYSACFLNROQA-UWWQBHOKSA-N 0 0 452.393 4.591 20 0 JJADRN Cc1ccccc1-n1c(SCCc2nnn(C(C)(C)C)n2)nnc1-c1ccc(Cl)cc1 ZINC001458772342 1067139004 /nfs/dbraw/zinc/13/90/04/1067139004.db2.gz CATNHVROWWZHCS-UHFFFAOYSA-N 0 0 454.003 4.972 20 0 JJADRN COc1cccc(-n2c(SCC(=O)N(C)[C@@H]3CCCC[C@@H]3C)nc3ccccc3c2=O)c1 ZINC001458774151 1067139681 /nfs/dbraw/zinc/13/96/81/1067139681.db2.gz IJZOITCMNJVQMI-HTAPYJJXSA-N 0 0 451.592 4.524 20 0 JJADRN COC(=O)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(Cl)c1 ZINC001458775158 1067139945 /nfs/dbraw/zinc/13/99/45/1067139945.db2.gz JSIVYHLGVAVGFY-GFCCVEGCSA-N 0 0 450.347 4.772 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(C)n1-c1ccon1 ZINC001451025007 1067140076 /nfs/dbraw/zinc/14/00/76/1067140076.db2.gz BOCVGPPDJGJZIH-NRFANRHFSA-N 0 0 450.539 4.516 20 0 JJADRN CCOc1ccc(-n2c(SCc3ncnn3CCF)nnc2-c2ccc(Cl)cc2)cc1 ZINC001458775385 1067140687 /nfs/dbraw/zinc/14/06/87/1067140687.db2.gz ZMFIWBIQILRAFH-UHFFFAOYSA-N 0 0 458.950 4.840 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC001458776257 1067141046 /nfs/dbraw/zinc/14/10/46/1067141046.db2.gz HNOAWQFTBDEEEF-UHFFFAOYSA-N 0 0 452.486 4.965 20 0 JJADRN Cc1ccc(SCCC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1C ZINC001451036107 1067141395 /nfs/dbraw/zinc/14/13/95/1067141395.db2.gz YLOLADYLPZOVTI-KRWDZBQOSA-N 0 0 454.405 4.655 20 0 JJADRN CCCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 ZINC001458777041 1067141772 /nfs/dbraw/zinc/14/17/72/1067141772.db2.gz JSTBVOLOHLJUAG-INIZCTEOSA-N 0 0 455.649 4.950 20 0 JJADRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccccc2F)[C@H]1C ZINC001458777130 1067141874 /nfs/dbraw/zinc/14/18/74/1067141874.db2.gz KJMAUEXTXHMINA-HYFFOGBASA-N 0 0 453.583 4.941 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@@H](CC(F)(F)F)c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC001458777389 1067141905 /nfs/dbraw/zinc/14/19/05/1067141905.db2.gz CIICZSCTAIHDDT-INIZCTEOSA-N 0 0 458.362 4.718 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001546028113 1067141990 /nfs/dbraw/zinc/14/19/90/1067141990.db2.gz WZRXWRXRHLEEOZ-UHFFFAOYSA-N 0 0 487.389 4.749 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)CCCO1 ZINC001451040359 1067141992 /nfs/dbraw/zinc/14/19/92/1067141992.db2.gz YGGRFHJDWDSRPL-PCCBWWKXSA-N 0 0 451.007 4.756 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458779386 1067142394 /nfs/dbraw/zinc/14/23/94/1067142394.db2.gz DJNOAYNNIPDKMG-HZPDHXFCSA-N 0 0 450.398 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc3c([nH]c1=O)CCC(C)(C)C3)CC2 ZINC001451044413 1067142635 /nfs/dbraw/zinc/14/26/35/1067142635.db2.gz BMAZFZNXIAERSQ-UHFFFAOYSA-N 0 0 457.615 4.555 20 0 JJADRN CO[C@H]1CCC[C@@H](CC(=O)Oc2ccc(I)c(Br)c2)C1 ZINC001458779867 1067142974 /nfs/dbraw/zinc/14/29/74/1067142974.db2.gz OULGWPOVLLGULW-MNOVXSKESA-N 0 0 453.114 4.554 20 0 JJADRN CC[C@H](C)CC[C@@H](O)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451048752 1067143167 /nfs/dbraw/zinc/14/31/67/1067143167.db2.gz PYXRCJLHXXTRLW-KVJIRVJXSA-N 0 0 450.595 4.612 20 0 JJADRN CCn1c(SC[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nnc1-c1cccc(C)c1 ZINC001458780614 1067143440 /nfs/dbraw/zinc/14/34/40/1067143440.db2.gz NCHHXPFQMAJAEZ-DVECYGJZSA-N 0 0 458.628 4.782 20 0 JJADRN CC(=O)N1CCc2sc(C(=O)CSc3nnc(Nc4ccc(C)c(C)c4)s3)cc2C1 ZINC001458780439 1067143473 /nfs/dbraw/zinc/14/34/73/1067143473.db2.gz JBWMADGDYWQHDR-UHFFFAOYSA-N 0 0 458.634 4.840 20 0 JJADRN CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451054663 1067144133 /nfs/dbraw/zinc/14/41/33/1067144133.db2.gz CVTUFEIOVJFCNC-ICDZXHCJSA-N 0 0 464.606 4.870 20 0 JJADRN Nc1c(F)cc(Cl)cc1C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC001451053147 1067144199 /nfs/dbraw/zinc/14/41/99/1067144199.db2.gz WSZKMYNDTWSYRQ-UHFFFAOYSA-N 0 0 458.118 4.974 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)(F)F)C1 ZINC001546103594 1067144786 /nfs/dbraw/zinc/14/47/86/1067144786.db2.gz PIVPLHGNAIPEJW-GOSISDBHSA-N 0 0 481.563 4.730 20 0 JJADRN C[C@H]1CCC(C)(C)N1C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451070711 1067144726 /nfs/dbraw/zinc/14/47/26/1067144726.db2.gz XKFHAWWMZDRDCA-AWEZNQCLSA-N 0 0 451.386 4.653 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C1 ZINC001546103695 1067145881 /nfs/dbraw/zinc/14/58/81/1067145881.db2.gz TXFXAPYPLBJPRY-UPTQXZAWSA-N 0 0 462.635 4.875 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(I)c(Br)c1 ZINC001458786469 1067146442 /nfs/dbraw/zinc/14/64/42/1067146442.db2.gz YYPKWZGFTPLHBQ-QWHCGFSZSA-N 0 0 473.104 4.771 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CCOc4ncc(Br)cc43)c2)c1 ZINC001458786996 1067147331 /nfs/dbraw/zinc/14/73/31/1067147331.db2.gz VMXKAPIKKMJLQC-UHFFFAOYSA-N 0 0 453.336 4.700 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001546103811 1067147969 /nfs/dbraw/zinc/14/79/69/1067147969.db2.gz XQAQHWFLYZUUBG-UXHICEINSA-N 0 0 476.065 4.809 20 0 JJADRN Cc1ccc(-c2nnc(SC[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)n2N)cc1 ZINC001458790412 1067147989 /nfs/dbraw/zinc/14/79/89/1067147989.db2.gz OQSDSCOJNVBPIN-GOSISDBHSA-N 0 0 457.575 4.507 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001451125737 1067148114 /nfs/dbraw/zinc/14/81/14/1067148114.db2.gz CWUYRAKSZBERHK-QHAWAJNXSA-N 0 0 450.583 4.615 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)c3cc(F)c(C)cc3F)n2C[C@@H]2CCCO2)cc1 ZINC001458793305 1067148655 /nfs/dbraw/zinc/14/86/55/1067148655.db2.gz DFKPOZGHOYCFBJ-KRWDZBQOSA-N 0 0 459.518 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCc3ccccc3OC(F)(F)F)C[C@@H]2C1 ZINC001451141513 1067149360 /nfs/dbraw/zinc/14/93/60/1067149360.db2.gz PIVGGHPQDGMWMP-KSZLIROESA-N 0 0 456.505 4.670 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451142478 1067149369 /nfs/dbraw/zinc/14/93/69/1067149369.db2.gz PQVLYDUQEWWMPR-RBSFLKMASA-N 0 0 455.368 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@@H]2C1 ZINC001451142843 1067149931 /nfs/dbraw/zinc/14/99/31/1067149931.db2.gz PYSDGOMFXNQIGJ-MJBXVCDLSA-N 0 0 451.976 4.822 20 0 JJADRN C[C@@H](NC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1)C(F)F ZINC001451146433 1067149996 /nfs/dbraw/zinc/14/99/96/1067149996.db2.gz FZVAOQYJFNIOQW-CYBMUJFWSA-N 0 0 457.502 4.565 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1OC1CCCC1 ZINC001451147808 1067150029 /nfs/dbraw/zinc/15/00/29/1067150029.db2.gz VJZOBPOEGVJYSG-XUVXKRRUSA-N 0 0 458.599 4.782 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC001546028522 1067150050 /nfs/dbraw/zinc/15/00/50/1067150050.db2.gz IIBRYOSOMDXLMM-AEFFLSMTSA-N 0 0 455.437 4.931 20 0 JJADRN CCCc1c(C(=O)Nc2csc(-c3ccncc3)n2)cnn1-c1cc(F)c(OC)cc1F ZINC001458800973 1067150043 /nfs/dbraw/zinc/15/00/43/1067150043.db2.gz MGQUPVJPLAKSAM-UHFFFAOYSA-N 0 0 455.490 4.882 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)CC(=O)N2C)cc1 ZINC001458806706 1067150533 /nfs/dbraw/zinc/15/05/33/1067150533.db2.gz BZJBPVCSFNPULY-WMZHIEFXSA-N 0 0 459.373 4.837 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)o2)cc1 ZINC001451150848 1067150694 /nfs/dbraw/zinc/15/06/94/1067150694.db2.gz YXUCFSZMUBZHJA-PWRODBHTSA-N 0 0 452.551 4.915 20 0 JJADRN COc1cccc([C@H](OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c2ccncc2)c1 ZINC001458812348 1067151885 /nfs/dbraw/zinc/15/18/85/1067151885.db2.gz GABHCVCJSWINMZ-OAQYLSRUSA-N 0 0 454.408 4.636 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(Oc4ccccn4)c3)nc12 ZINC001458811704 1067151890 /nfs/dbraw/zinc/15/18/90/1067151890.db2.gz KBHNLKWTWGGIQB-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN CN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001451169085 1067151844 /nfs/dbraw/zinc/15/18/44/1067151844.db2.gz FJASAFZAROBQEH-ZLNRFVROSA-N 0 0 452.599 4.863 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC001458812495 1067152020 /nfs/dbraw/zinc/15/20/20/1067152020.db2.gz DAJBWMFIYWFVIS-QFIPXVFZSA-N 0 0 453.970 4.738 20 0 JJADRN COc1cccc([C@H](OC(=O)c2cnnn2-c2cccc(Cl)c2Cl)c2ccncc2)c1 ZINC001458813916 1067152547 /nfs/dbraw/zinc/15/25/47/1067152547.db2.gz IDFWIWNWXDBAMX-OAQYLSRUSA-N 0 0 455.301 4.924 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458814038 1067152567 /nfs/dbraw/zinc/15/25/67/1067152567.db2.gz FFDQQQXJHDXABI-QGZVFWFLSA-N 0 0 451.775 4.675 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)nn1-c1c(Cl)cccc1Cl ZINC001451191190 1067152608 /nfs/dbraw/zinc/15/26/08/1067152608.db2.gz CMSQORZXZPHMTA-PBHICJAKSA-N 0 0 481.405 4.762 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)c2)c1 ZINC001545819091 1067153166 /nfs/dbraw/zinc/15/31/66/1067153166.db2.gz ZDVZDODPQMMQNZ-QFIPXVFZSA-N 0 0 459.571 4.599 20 0 JJADRN Cc1csc(=O)n1CCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C ZINC001458814514 1067153222 /nfs/dbraw/zinc/15/32/22/1067153222.db2.gz RGMSGJUYVKUXTB-UHFFFAOYSA-N 0 0 458.008 4.980 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)nc12 ZINC001458817023 1067153635 /nfs/dbraw/zinc/15/36/35/1067153635.db2.gz UIIYNFNAKMTCPA-CDHQVMDDSA-N 0 0 450.421 4.541 20 0 JJADRN COC(=O)C1(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)CCOCC1 ZINC001458815900 1067153729 /nfs/dbraw/zinc/15/37/29/1067153729.db2.gz IHJLENDTEBMRPF-UHFFFAOYSA-N 0 0 457.523 4.564 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c2ccncc2)c1 ZINC001458817394 1067154418 /nfs/dbraw/zinc/15/44/18/1067154418.db2.gz OGISSARADQIRBT-QFIPXVFZSA-N 0 0 454.910 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(C(=O)C[C@@H]4C=CCCC4)CC3)[nH]n2)CC1 ZINC001451239625 1067154583 /nfs/dbraw/zinc/15/45/83/1067154583.db2.gz BBKNGPYSMCNXFR-LJQANCHMSA-N 0 0 456.631 4.977 20 0 JJADRN COCc1cc(O)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC001451245789 1067155218 /nfs/dbraw/zinc/15/52/18/1067155218.db2.gz CJFJTFMUHBCFSD-UHFFFAOYSA-N 0 0 459.502 4.661 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC([C@@H](O)c4cc(F)ccc4F)CC3)c2)c1C ZINC001451248412 1067155481 /nfs/dbraw/zinc/15/54/81/1067155481.db2.gz QSABKHPXGTXICL-RUZDIDTESA-N 0 0 453.533 4.916 20 0 JJADRN Cc1ccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1NC(=O)c1ccco1 ZINC001451247711 1067155503 /nfs/dbraw/zinc/15/55/03/1067155503.db2.gz OQWZYZROFSWUMJ-QHCPKHFHSA-N 0 0 454.473 4.704 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCOc2ccc(Br)cc2Br)cc1 ZINC001458820897 1067156268 /nfs/dbraw/zinc/15/62/68/1067156268.db2.gz ZGNHMCUYLQKHAK-WTKPLQERSA-N 0 0 456.130 4.856 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451254090 1067156425 /nfs/dbraw/zinc/15/64/25/1067156425.db2.gz VXIJFUFEAKWSEH-WAOWUJCRSA-N 0 0 450.323 4.803 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnc(CC(C)(C)C)s1 ZINC001458821901 1067156480 /nfs/dbraw/zinc/15/64/80/1067156480.db2.gz RIVUHRAIHANPND-HXUWFJFHSA-N 0 0 452.624 4.807 20 0 JJADRN COc1cc(OC)c(NC(=O)CCSc2nnc(C3CC3)n2-c2ccccc2)cc1Cl ZINC001458822068 1067156669 /nfs/dbraw/zinc/15/66/69/1067156669.db2.gz KIKGZCNFCVMCTR-UHFFFAOYSA-N 0 0 458.971 4.936 20 0 JJADRN COC(=O)c1cncc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2C)c1 ZINC001458822546 1067156679 /nfs/dbraw/zinc/15/66/79/1067156679.db2.gz HQPIMRRPEUXNOA-UHFFFAOYSA-N 0 0 451.935 4.821 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001451298409 1067157895 /nfs/dbraw/zinc/15/78/95/1067157895.db2.gz HQUJCUKSOZWJOM-VGOFRKELSA-N 0 0 450.595 4.993 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC(OCCOC(C)C)CC1 ZINC001451323746 1067159200 /nfs/dbraw/zinc/15/92/00/1067159200.db2.gz HAQVNDUMFVSIHG-UHFFFAOYSA-N 0 0 453.004 4.730 20 0 JJADRN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001451325868 1067159328 /nfs/dbraw/zinc/15/93/28/1067159328.db2.gz HXEZQSCNAYZOPX-SFTDATJTSA-N 0 0 454.548 4.761 20 0 JJADRN CCO[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451341026 1067160452 /nfs/dbraw/zinc/16/04/52/1067160452.db2.gz MVLVKJSBEDDBEW-ZYKLXPEUSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(CCO)c3)c2)cc1C ZINC001451337791 1067160496 /nfs/dbraw/zinc/16/04/96/1067160496.db2.gz CHWNMEUZPPHNRO-UHFFFAOYSA-N 0 0 458.967 4.545 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nnc(SCc2ccc(OC)cc2)s1 ZINC001458828883 1067160764 /nfs/dbraw/zinc/16/07/64/1067160764.db2.gz YGNFYIZTKJOVGR-QGZVFWFLSA-N 0 0 450.582 4.855 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451345480 1067161195 /nfs/dbraw/zinc/16/11/95/1067161195.db2.gz XIMXJEMSTBKDRQ-UHFFFAOYSA-N 0 0 452.295 4.593 20 0 JJADRN Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC001458832186 1067161817 /nfs/dbraw/zinc/16/18/17/1067161817.db2.gz BLBIEKVLUKUJDS-HXUWFJFHSA-N 0 0 457.599 4.892 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001546030788 1067162310 /nfs/dbraw/zinc/16/23/10/1067162310.db2.gz QSMXJLFVVQVZTQ-NSHDSACASA-N 0 0 456.262 4.900 20 0 JJADRN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)c1sc2cc(Br)ccc2c1Cl ZINC001451382585 1067162374 /nfs/dbraw/zinc/16/23/74/1067162374.db2.gz YMLFKHBKOPBYLF-HNNXBMFYSA-N 0 0 451.729 4.794 20 0 JJADRN Cc1cc(C2(C(=O)Nc3cccc(O[C@@H]4CC(=O)N4)c3)CCCCC2)ccc1Br ZINC001451382839 1067162447 /nfs/dbraw/zinc/16/24/47/1067162447.db2.gz ZIADFWRNKKCQMK-OAQYLSRUSA-N 0 0 457.368 4.823 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)on1 ZINC001545821971 1067162508 /nfs/dbraw/zinc/16/25/08/1067162508.db2.gz PRVWHGNCBQUTGN-UHFFFAOYSA-N 0 0 490.530 4.508 20 0 JJADRN COC(=O)C1=C(COc2cc(C(F)(F)F)ccc2Cl)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC001458834960 1067162788 /nfs/dbraw/zinc/16/27/88/1067162788.db2.gz LHZILILYTDFOAZ-GOSISDBHSA-N 0 0 454.832 4.561 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451387885 1067163080 /nfs/dbraw/zinc/16/30/80/1067163080.db2.gz INSIVFOELJUERK-LTFXSFKNSA-N 0 0 481.568 4.553 20 0 JJADRN CCN1C(=O)CCc2cc(NC(=O)CCOc3ccc(Cl)cc3Br)ccc21 ZINC001458835253 1067163565 /nfs/dbraw/zinc/16/35/65/1067163565.db2.gz GRZRDFYDZHXLGB-UHFFFAOYSA-N 0 0 451.748 4.809 20 0 JJADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SC/C(Cl)=C\Cl ZINC001458835029 1067163613 /nfs/dbraw/zinc/16/36/13/1067163613.db2.gz MTRRRHHAJQODDK-FMIVXFBMSA-N 0 0 452.201 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(-n3cccc3)cc2)C[C@H]1c1cccc(F)c1 ZINC001451392677 1067163692 /nfs/dbraw/zinc/16/36/92/1067163692.db2.gz RLSPNOXJPCJOQL-BJKOFHAPSA-N 0 0 463.553 4.678 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451391142 1067163746 /nfs/dbraw/zinc/16/37/46/1067163746.db2.gz NRYNEUVQMGHAAY-FCHUYYIVSA-N 0 0 472.557 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2N)C[C@H]1c1cccc(F)c1 ZINC001451394419 1067164228 /nfs/dbraw/zinc/16/42/28/1067164228.db2.gz AHZAUTXPRCCZKD-PKOBYXMFSA-N 0 0 467.463 4.560 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C[C@H](c2ccccc2)C1 ZINC001451395868 1067164273 /nfs/dbraw/zinc/16/42/73/1067164273.db2.gz CVOCFYFHGRJBFY-WWPVKYPJSA-N 0 0 456.030 4.786 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)cc1 ZINC001458835623 1067164321 /nfs/dbraw/zinc/16/43/21/1067164321.db2.gz GVEOLVADNSUCEV-MOPGFXCFSA-N 0 0 458.624 4.654 20 0 JJADRN COc1cccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1OC(F)F ZINC001458836443 1067164343 /nfs/dbraw/zinc/16/43/43/1067164343.db2.gz HQNDLAQBEVWIRS-UHFFFAOYSA-N 0 0 456.283 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3sccc3c(O)c2)C[C@H]1c1cccc(F)c1 ZINC001451394343 1067164357 /nfs/dbraw/zinc/16/43/57/1067164357.db2.gz WLDAGZWMNGXPNJ-RBUKOAKNSA-N 0 0 456.539 4.879 20 0 JJADRN COc1ccc(C)cc1-n1c(SCC(=O)c2ccncc2Cl)nc2ccccc2c1=O ZINC001458836558 1067164859 /nfs/dbraw/zinc/16/48/59/1067164859.db2.gz QFVDDNYOLBGFCN-UHFFFAOYSA-N 0 0 451.935 4.726 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CC(C)(C)C)on1 ZINC001545823141 1067164889 /nfs/dbraw/zinc/16/48/89/1067164889.db2.gz BTWWMCQPETVQBU-UHFFFAOYSA-N 0 0 487.674 4.660 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(F)(F)CC2)on1 ZINC001545823135 1067165043 /nfs/dbraw/zinc/16/50/43/1067165043.db2.gz BTAVMVVJZRFXRU-UHFFFAOYSA-N 0 0 493.580 4.524 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC001458836740 1067164998 /nfs/dbraw/zinc/16/49/98/1067164998.db2.gz SQBHSKMSJSEVJW-DEOSSOPVSA-N 0 0 451.592 4.948 20 0 JJADRN CCCCCC[C@H](O)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451406523 1067165506 /nfs/dbraw/zinc/16/55/06/1067165506.db2.gz WSLFKVPBRMLKLV-FDFHNCONSA-N 0 0 450.595 4.756 20 0 JJADRN COc1ccc(C)cc1-n1c(SCCCNC(=O)OC(C)(C)C)nc2ccccc2c1=O ZINC001458837242 1067165548 /nfs/dbraw/zinc/16/55/48/1067165548.db2.gz TUSLGDMKQJBXJI-UHFFFAOYSA-N 0 0 455.580 4.710 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC001458837533 1067165598 /nfs/dbraw/zinc/16/55/98/1067165598.db2.gz KJYDXXQFKGJINO-UHFFFAOYSA-N 0 0 454.841 4.860 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)on1 ZINC001545823252 1067165678 /nfs/dbraw/zinc/16/56/78/1067165678.db2.gz GAALKKTXLBTWBT-KRWDZBQOSA-N 0 0 453.587 4.897 20 0 JJADRN O=C(c1ccco1)c1cccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC001458838330 1067166149 /nfs/dbraw/zinc/16/61/49/1067166149.db2.gz MNQKMESIVOEUKO-UHFFFAOYSA-N 0 0 454.320 4.957 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3ccc(CN4CCOCC4)c(Cl)c3)c2)cs1 ZINC001458838372 1067166211 /nfs/dbraw/zinc/16/62/11/1067166211.db2.gz CZOWUEMWLUXLPN-UHFFFAOYSA-N 0 0 457.983 4.768 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NCCCCC(=O)OCc3ccccc3)c2C(F)(F)F)cc1 ZINC001458839818 1067166717 /nfs/dbraw/zinc/16/67/17/1067166717.db2.gz ZZMHSFDJCJWYGR-UHFFFAOYSA-N 0 0 459.468 4.843 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H](O)c1ccccc1Br ZINC001451409777 1067166755 /nfs/dbraw/zinc/16/67/55/1067166755.db2.gz KIMJPEDBNRNKCB-MEDUHNTESA-N 0 0 459.203 4.542 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H](O)c1ccccc1Br ZINC001451409769 1067166876 /nfs/dbraw/zinc/16/68/76/1067166876.db2.gz KIMJPEDBNRNKCB-BDJLRTHQSA-N 0 0 459.203 4.542 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(Cl)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)on1 ZINC001545823466 1067166777 /nfs/dbraw/zinc/16/67/77/1067166777.db2.gz NIEMXQMQQNJCKY-IBGZPJMESA-N 0 0 492.045 4.552 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)on1 ZINC001545823459 1067166867 /nfs/dbraw/zinc/16/68/67/1067166867.db2.gz NBJUFTKSZUWOGO-UHFFFAOYSA-N 0 0 482.604 4.908 20 0 JJADRN O=C([C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458841056 1067167510 /nfs/dbraw/zinc/16/75/10/1067167510.db2.gz RELQQRMVVYFBHJ-WBVHZDCISA-N 0 0 450.295 4.567 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)on1 ZINC001545823631 1067167459 /nfs/dbraw/zinc/16/74/59/1067167459.db2.gz SMLJVIQFIJWIAF-NRFANRHFSA-N 0 0 494.640 4.635 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)NC[C@@H](O)c1ccccc1Br ZINC001451411253 1067167530 /nfs/dbraw/zinc/16/75/30/1067167530.db2.gz MEUPPCHAXTVKPE-JXVRESAISA-N 0 0 452.348 4.891 20 0 JJADRN CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC001451410299 1067167538 /nfs/dbraw/zinc/16/75/38/1067167538.db2.gz FPNRWCRKLNEZKS-FQEVSTJZSA-N 0 0 456.384 4.873 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1c1ccccc1F ZINC001451411303 1067168170 /nfs/dbraw/zinc/16/81/70/1067168170.db2.gz NESUWTAPLCBBGC-IWKCEXAMSA-N 0 0 474.495 4.535 20 0 JJADRN O=C(/C=C\c1ccccc1OCc1ccccc1)NC[C@@H](O)c1ccccc1Br ZINC001451411254 1067168180 /nfs/dbraw/zinc/16/81/80/1067168180.db2.gz MEUPPCHAXTVKPE-KSAKKHMLSA-N 0 0 452.348 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@H]1c1ccccc1F ZINC001451411870 1067168229 /nfs/dbraw/zinc/16/82/29/1067168229.db2.gz NVSMROYBLVKLQN-DFQSSKMNSA-N 0 0 478.605 4.649 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c(F)c1 ZINC001458841953 1067168171 /nfs/dbraw/zinc/16/81/71/1067168171.db2.gz VMGMVLYZJJUUPF-UHFFFAOYSA-N 0 0 450.397 4.617 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1F ZINC001458841598 1067168244 /nfs/dbraw/zinc/16/82/44/1067168244.db2.gz IXYUDTRJIHKLQS-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCn2cccn2)on1 ZINC001545823697 1067168264 /nfs/dbraw/zinc/16/82/64/1067168264.db2.gz VSJZETYKVJFOBX-UHFFFAOYSA-N 0 0 498.429 4.980 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001458842252 1067168565 /nfs/dbraw/zinc/16/85/65/1067168565.db2.gz WMURUPONZRAHBD-UHFFFAOYSA-N 0 0 452.477 4.699 20 0 JJADRN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458842301 1067168572 /nfs/dbraw/zinc/16/85/72/1067168572.db2.gz XKQDMDCGZHCMNA-HNNXBMFYSA-N 0 0 450.760 4.724 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@@H](O)c3cccc(Br)c3)c2c1 ZINC001451413002 1067168707 /nfs/dbraw/zinc/16/87/07/1067168707.db2.gz MNINYNAVXYWCRO-JOCHJYFZSA-N 0 0 455.352 4.689 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCc3cnccc3C(C)(C)C)cc2)c1 ZINC001451412846 1067168715 /nfs/dbraw/zinc/16/87/15/1067168715.db2.gz LYGYVQGPMHXYNL-UHFFFAOYSA-N 0 0 452.576 4.694 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cnccc1C(C)(C)C ZINC001451412829 1067168725 /nfs/dbraw/zinc/16/87/25/1067168725.db2.gz VDOBIBFTUGAGOQ-NRFANRHFSA-N 0 0 451.567 4.878 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CCCN(CC(F)(F)F)CC2)on1 ZINC001545824623 1067169209 /nfs/dbraw/zinc/16/92/09/1067169209.db2.gz DSXSZXURQZCJMW-UHFFFAOYSA-N 0 0 496.603 4.945 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)NCC3CC3)C2)on1 ZINC001545824699 1067169804 /nfs/dbraw/zinc/16/98/04/1067169804.db2.gz GXNRJOVIUMTFEF-FQEVSTJZSA-N 0 0 470.662 4.549 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545824937 1067170484 /nfs/dbraw/zinc/17/04/84/1067170484.db2.gz NSBKRMBOFPRMSV-GOSISDBHSA-N 0 0 458.607 4.589 20 0 JJADRN C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)nc2)n1-c1ccccc1)N1CCCCC1 ZINC001458847454 1067171172 /nfs/dbraw/zinc/17/11/72/1067171172.db2.gz SJAJIEBWJSHRGR-MRXNPFEDSA-N 0 0 457.003 4.593 20 0 JJADRN COC[C@@H](CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3)OC ZINC001458848749 1067171211 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DPVIQRVOCGQKNH-GFCCVEGCSA-N 0 0 451.013 4.936 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)C1 ZINC001451441133 1067171879 /nfs/dbraw/zinc/17/18/79/1067171879.db2.gz QHVTVQLRYIRTSI-NFBKMPQASA-N 0 0 454.567 4.871 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)OCC3 ZINC001545825469 1067172122 /nfs/dbraw/zinc/17/21/22/1067172122.db2.gz GFKBNVXZLMJSRC-SANMLTNESA-N 0 0 457.615 4.624 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001451434826 1067172094 /nfs/dbraw/zinc/17/20/94/1067172094.db2.gz WVXFECQQMIIVKZ-RBUKOAKNSA-N 0 0 456.505 4.630 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCO[C@@H]1CCCC[C@@H]1C)n2CC ZINC001458851244 1067172596 /nfs/dbraw/zinc/17/25/96/1067172596.db2.gz FIMLOYFVLXTISI-LAUBAEHRSA-N 0 0 453.674 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1(C)C ZINC001451453929 1067172618 /nfs/dbraw/zinc/17/26/18/1067172618.db2.gz DDNWLIKXTHNWCZ-FQEVSTJZSA-N 0 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CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1CCN1CCc2sccc2C1 ZINC001545826404 1067173892 /nfs/dbraw/zinc/17/38/92/1067173892.db2.gz MEKRWNHVCACPDW-FQEVSTJZSA-N 0 0 494.709 4.822 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001545826415 1067173946 /nfs/dbraw/zinc/17/39/46/1067173946.db2.gz MHWWXFFLKCKHRT-LJQANCHMSA-N 0 0 498.672 4.569 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](OC)C2)on1 ZINC001545826475 1067174570 /nfs/dbraw/zinc/17/45/70/1067174570.db2.gz NQGIBMFNZIJQRT-IBGZPJMESA-N 0 0 459.978 4.676 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451480633 1067174724 /nfs/dbraw/zinc/17/47/24/1067174724.db2.gz ZPTBYYOMMMVYJY-BXUZGUMPSA-N 0 0 458.702 4.732 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)on1 ZINC001545826560 1067175076 /nfs/dbraw/zinc/17/50/76/1067175076.db2.gz PQSDAMPXMOVEKG-LJQANCHMSA-N 0 0 454.623 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1Cc1nc(C)cs1 ZINC001545826655 1067175102 /nfs/dbraw/zinc/17/51/02/1067175102.db2.gz RHVCMTHWRNDACV-INIZCTEOSA-N 0 0 466.611 4.953 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001451502283 1067175209 /nfs/dbraw/zinc/17/52/09/1067175209.db2.gz HBNOQSZZMZMABM-SFHVURJKSA-N 0 0 454.405 4.623 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc1OCC ZINC001458858957 1067175532 /nfs/dbraw/zinc/17/55/32/1067175532.db2.gz WGEXJBIVBNURTL-TZMCWYRMSA-N 0 0 452.311 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001545826690 1067175627 /nfs/dbraw/zinc/17/56/27/1067175627.db2.gz RUWLIACTQGTNRU-PWHSHALESA-N 0 0 473.637 4.984 20 0 JJADRN COc1ccc(C(=O)OCc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC1CCCC1 ZINC001458859939 1067176189 /nfs/dbraw/zinc/17/61/89/1067176189.db2.gz BCLGTKPBEOYEHL-UHFFFAOYSA-N 0 0 458.363 4.580 20 0 JJADRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458859891 1067176242 /nfs/dbraw/zinc/17/62/42/1067176242.db2.gz XLIDOVATUCWGMG-GUYCJALGSA-N 0 0 450.423 4.747 20 0 JJADRN COCC1(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CCCC1 ZINC001451528860 1067176669 /nfs/dbraw/zinc/17/66/69/1067176669.db2.gz MRWVVRHCALZEPK-UHFFFAOYSA-N 0 0 451.350 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001545826976 1067177209 /nfs/dbraw/zinc/17/72/09/1067177209.db2.gz YDWLCBFJNRXROC-SFHVURJKSA-N 0 0 494.606 4.668 20 0 JJADRN O=C(Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001451532429 1067177371 /nfs/dbraw/zinc/17/73/71/1067177371.db2.gz MSENDTSFSMSENN-UHFFFAOYSA-N 0 0 456.449 4.959 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001545826975 1067177354 /nfs/dbraw/zinc/17/73/54/1067177354.db2.gz YDWLCBFJNRXROC-GOSISDBHSA-N 0 0 494.606 4.668 20 0 JJADRN O=C1[C@H](Sc2nnc(COc3ccc(Cl)cc3Cl)o2)CCN1c1ccc(F)cc1 ZINC001458864394 1067177706 /nfs/dbraw/zinc/17/77/06/1067177706.db2.gz XAQJVGZOQGQOEO-MRXNPFEDSA-N 0 0 454.310 4.992 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2COc2ccccc2)c1 ZINC001458864195 1067177731 /nfs/dbraw/zinc/17/77/31/1067177731.db2.gz XKJFFQKCSJTOPO-UHFFFAOYSA-N 0 0 459.571 4.868 20 0 JJADRN CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c2c(CC(C)(C)C)noc2n1 ZINC001451549287 1067177914 /nfs/dbraw/zinc/17/79/14/1067177914.db2.gz KXXIERFRILJQDR-UHFFFAOYSA-N 0 0 458.603 4.845 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001545828269 1067178317 /nfs/dbraw/zinc/17/83/17/1067178317.db2.gz OVISEGSEVNOWQA-UHFFFAOYSA-N 0 0 496.578 4.596 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001545828423 1067179181 /nfs/dbraw/zinc/17/91/81/1067179181.db2.gz UJYUYHFSZWXOII-DENIHFKCSA-N 0 0 498.672 4.918 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3c(Cl)nccc3C(F)(F)F)c12 ZINC001458868090 1067179537 /nfs/dbraw/zinc/17/95/37/1067179537.db2.gz ZNQSMXHMAFNONR-GFCCVEGCSA-N 0 0 453.852 4.547 20 0 JJADRN CCNc1nc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2ccccc21 ZINC001458867794 1067179569 /nfs/dbraw/zinc/17/95/69/1067179569.db2.gz NEDOXWYSKGJIGB-UHFFFAOYSA-N 0 0 456.593 4.519 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001545829728 1067179671 /nfs/dbraw/zinc/17/96/71/1067179671.db2.gz FFKXTROVZCPCHT-AVRDEDQJSA-N 0 0 495.647 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001545829730 1067179803 /nfs/dbraw/zinc/17/98/03/1067179803.db2.gz FFKXTROVZCPCHT-PGRDOPGGSA-N 0 0 495.647 4.893 20 0 JJADRN O=C(CSc1nnc(NCCc2ccccc2)s1)NCC1(c2ccccc2)CCCC1 ZINC001458870004 1067180372 /nfs/dbraw/zinc/18/03/72/1067180372.db2.gz AOSMMCQQLKOTNA-UHFFFAOYSA-N 0 0 452.649 4.913 20 0 JJADRN CC(C)(C)c1cccc(OCCCN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001458870974 1067180376 /nfs/dbraw/zinc/18/03/76/1067180376.db2.gz DNTUNYSYLRGXQQ-HSZRJFAPSA-N 0 0 459.384 4.983 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)cc1 ZINC001451588760 1067180434 /nfs/dbraw/zinc/18/04/34/1067180434.db2.gz MJZGLZYSLFPOEE-JCMHNJIXSA-N 0 0 451.544 4.515 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001545829850 1067180533 /nfs/dbraw/zinc/18/05/33/1067180533.db2.gz HXVLVJRFOCEZSY-HYBUGGRVSA-N 0 0 477.657 4.640 20 0 JJADRN Cc1ccc(Nc2nnc(SCC(=O)NCCc3c(F)cccc3F)s2)cc1Cl ZINC001458871083 1067180823 /nfs/dbraw/zinc/18/08/23/1067180823.db2.gz FGNAGKABBPHIGZ-UHFFFAOYSA-N 0 0 454.955 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545830306 1067181719 /nfs/dbraw/zinc/18/17/19/1067181719.db2.gz QZUUHBMYCSNXJS-UGKGYDQZSA-N 0 0 467.658 4.952 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)[nH]n2)c1C ZINC001451648607 1067182306 /nfs/dbraw/zinc/18/23/06/1067182306.db2.gz HWVPHBCRZRVDBN-IBGZPJMESA-N 0 0 457.619 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@H]1CCSC1(C)C ZINC001545830428 1067182190 /nfs/dbraw/zinc/18/21/90/1067182190.db2.gz USLJCOBMVBYSQQ-OFNKIYASSA-N 0 0 498.741 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1Cc1cccc(Br)n1 ZINC001545832132 1067182953 /nfs/dbraw/zinc/18/29/53/1067182953.db2.gz HFUSLESLVWRFFM-QGZVFWFLSA-N 0 0 499.457 4.642 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C/c2ccccc2)n1Cc1ccc(Cl)nc1 ZINC001545832176 1067182960 /nfs/dbraw/zinc/18/29/60/1067182960.db2.gz IVTLVMBLBDSBEP-NBVRZTHBSA-N 0 0 467.017 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@@H]1CCCC1(C)C ZINC001545832420 1067183013 /nfs/dbraw/zinc/18/30/13/1067183013.db2.gz PLNVWPPNTZHWPI-FQEVSTJZSA-N 0 0 482.673 4.715 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545832316 1067183035 /nfs/dbraw/zinc/18/30/35/1067183035.db2.gz MOPCYUGAJWAWSY-UHFFFAOYSA-N 0 0 469.552 4.668 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)c2ccccc21 ZINC001545832883 1067183048 /nfs/dbraw/zinc/18/30/48/1067183048.db2.gz DSVUMDVJVBYQFY-INIZCTEOSA-N 0 0 455.555 4.540 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001545832317 1067183071 /nfs/dbraw/zinc/18/30/71/1067183071.db2.gz MOYPJHFRFAOJHS-KBAYOESNSA-N 0 0 462.063 4.910 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)cs2)n1Cc1csc(-c2ccco2)n1 ZINC001545833655 1067183699 /nfs/dbraw/zinc/18/36/99/1067183699.db2.gz GANLJLIMLGWJJL-UHFFFAOYSA-N 0 0 484.651 4.968 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)C1 ZINC001451654831 1067183718 /nfs/dbraw/zinc/18/37/18/1067183718.db2.gz RWXHWSLECWSQNP-QGZVFWFLSA-N 0 0 453.539 4.776 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1C ZINC001451658395 1067183782 /nfs/dbraw/zinc/18/37/82/1067183782.db2.gz ZEEHVDQJYSDGMF-HXUWFJFHSA-N 0 0 457.640 4.942 20 0 JJADRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001458879321 1067184451 /nfs/dbraw/zinc/18/44/51/1067184451.db2.gz AJDODYGMZCZSRE-GJZGRUSLSA-N 0 0 456.015 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1C[C@@](C)(O)C1CCCCC1 ZINC001545834105 1067184711 /nfs/dbraw/zinc/18/47/11/1067184711.db2.gz WXAWGMSUGMOPRV-AREMUKBSSA-N 0 0 473.637 4.612 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1 ZINC001545834283 1067184797 /nfs/dbraw/zinc/18/47/97/1067184797.db2.gz DNFYEJOHFWXKQI-UHFFFAOYSA-N 0 0 457.530 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC1(C(C)C)CC1 ZINC001545834881 1067185393 /nfs/dbraw/zinc/18/53/93/1067185393.db2.gz DGADNJHPWVKCLA-UHFFFAOYSA-N 0 0 451.537 4.686 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC001458883793 1067186063 /nfs/dbraw/zinc/18/60/63/1067186063.db2.gz BVFJVGVTOKGKGP-UHFFFAOYSA-N 0 0 457.294 4.523 20 0 JJADRN CCCNC(=O)CSc1nnc(SCc2nc(-c3c(F)cccc3F)cs2)s1 ZINC001458884238 1067186092 /nfs/dbraw/zinc/18/60/92/1067186092.db2.gz ROUGNPXJIAFJCP-UHFFFAOYSA-N 0 0 458.606 4.850 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 ZINC001546033168 1067186312 /nfs/dbraw/zinc/18/63/12/1067186312.db2.gz PCZNHNPKNGBXGD-HXUWFJFHSA-N 0 0 463.667 4.570 20 0 JJADRN COc1cc(C(=O)NCC[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1Cl ZINC001451683229 1067186378 /nfs/dbraw/zinc/18/63/78/1067186378.db2.gz BATGRQYJDCBYLA-IBGZPJMESA-N 0 0 453.922 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@@H](OC)C(C)(C)C ZINC001545835204 1067186534 /nfs/dbraw/zinc/18/65/34/1067186534.db2.gz OKRQAOCLADERJR-LJQANCHMSA-N 0 0 494.478 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCC1CCOCC1 ZINC001545835123 1067186572 /nfs/dbraw/zinc/18/65/72/1067186572.db2.gz MEFYFGRBJHWGRH-UHFFFAOYSA-N 0 0 499.553 4.808 20 0 JJADRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nc(CN2CCOCC2)nc2ccccc21 ZINC001458886166 1067186547 /nfs/dbraw/zinc/18/65/47/1067186547.db2.gz BQAHNTLWLDVLJL-NRFANRHFSA-N 0 0 459.974 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@@H](C)c1nc(C)cs1 ZINC001545835219 1067186602 /nfs/dbraw/zinc/18/66/02/1067186602.db2.gz OZQMHHQBZFEDAH-CYBMUJFWSA-N 0 0 494.587 4.819 20 0 JJADRN COc1ccc(-n2c(SCC(=O)C3C(C)(C)C3(C)C)nc3ccccc3c2=O)cc1OC ZINC001458886162 1067186617 /nfs/dbraw/zinc/18/66/17/1067186617.db2.gz BNYXDVFLFPSZND-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545835379 1067187263 /nfs/dbraw/zinc/18/72/63/1067187263.db2.gz WEMACQQFEDZUKL-QZTJIDSGSA-N 0 0 466.630 4.518 20 0 JJADRN CN(C)S(=O)(=O)CCSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1Cl ZINC001458886753 1067187211 /nfs/dbraw/zinc/18/72/11/1067187211.db2.gz IRFLIOUJBMMXLH-UHFFFAOYSA-N 0 0 456.420 4.830 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1Cc1cccc(F)c1 ZINC001545835364 1067187308 /nfs/dbraw/zinc/18/73/08/1067187308.db2.gz VPMSPNZJMHFQQR-UHFFFAOYSA-N 0 0 494.434 4.844 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3F)c2)cc1 ZINC001451701681 1067187573 /nfs/dbraw/zinc/18/75/73/1067187573.db2.gz XDUPOSWMCSWDRS-UHFFFAOYSA-N 0 0 458.511 4.676 20 0 JJADRN CCc1c(C(=O)N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC001451701956 1067187660 /nfs/dbraw/zinc/18/76/60/1067187660.db2.gz SUQATQUZGIPYHO-UHFFFAOYSA-N 0 0 458.990 4.704 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N1CCC(OC)(C(F)(F)F)CC1)OCC3 ZINC001451700791 1067187678 /nfs/dbraw/zinc/18/76/78/1067187678.db2.gz VQIBFGUQBGROOJ-QFIPXVFZSA-N 0 0 452.517 4.868 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CCC(OC3CCC3)CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001451712254 1067187713 /nfs/dbraw/zinc/18/77/13/1067187713.db2.gz NYAPLWQFSHGJES-LJQANCHMSA-N 0 0 451.995 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CCc1cn2ccccc2n1 ZINC001545835410 1067187643 /nfs/dbraw/zinc/18/76/43/1067187643.db2.gz WZOQKWIAUJDJAT-UHFFFAOYSA-N 0 0 498.006 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@]1(C)CCCO1 ZINC001545835435 1067187668 /nfs/dbraw/zinc/18/76/68/1067187668.db2.gz XZTLDFJKMXMZMZ-QFIPXVFZSA-N 0 0 485.526 4.560 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001545835430 1067187682 /nfs/dbraw/zinc/18/76/82/1067187682.db2.gz XXRNXVRPZGNGLZ-WMZHIEFXSA-N 0 0 480.078 4.753 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(O)c3F)nnc2-c2ccco2)cc1 ZINC001545835600 1067187687 /nfs/dbraw/zinc/18/76/87/1067187687.db2.gz GDEIZXKPKOAKFY-UHFFFAOYSA-N 0 0 454.483 4.502 20 0 JJADRN CN(CCCNC(=O)C1CCC1)C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC001458889636 1067187688 /nfs/dbraw/zinc/18/76/88/1067187688.db2.gz CDYVTKCRCWSDQL-UHFFFAOYSA-N 0 0 453.533 4.811 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001545835561 1067187730 /nfs/dbraw/zinc/18/77/30/1067187730.db2.gz DKXPMVQWRBVFHD-LJQANCHMSA-N 0 0 452.551 4.703 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(F)c2)n1CCc1nc(C(C)(C)C)cs1 ZINC001545836144 1067188446 /nfs/dbraw/zinc/18/84/46/1067188446.db2.gz CYZIACBMOMTZHG-UHFFFAOYSA-N 0 0 486.661 4.969 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(SC)cc3)CC2)no1 ZINC001458894898 1067188451 /nfs/dbraw/zinc/18/84/51/1067188451.db2.gz OBVGCQLQZDTLTC-MRXNPFEDSA-N 0 0 453.564 4.641 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001451727735 1067188585 /nfs/dbraw/zinc/18/85/85/1067188585.db2.gz CQRRJFIAIGWOSD-SFHVURJKSA-N 0 0 458.580 4.603 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458895648 1067188971 /nfs/dbraw/zinc/18/89/71/1067188971.db2.gz SMBVCIUCXOGNMN-MHZLTWQESA-N 0 0 452.595 4.979 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1F ZINC001458895866 1067188998 /nfs/dbraw/zinc/18/89/98/1067188998.db2.gz TTXAZWQAZNZSAY-PEZBUJJGSA-N 0 0 451.498 4.702 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451733344 1067188893 /nfs/dbraw/zinc/18/88/93/1067188893.db2.gz JFGWOJMFCQMEHF-FYYLOGMGSA-N 0 0 454.014 4.611 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734095 1067189589 /nfs/dbraw/zinc/18/95/89/1067189589.db2.gz CPNIYNGXYMLXNP-XMMPIXPASA-N 0 0 453.558 4.596 20 0 JJADRN NC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001458899172 1067189609 /nfs/dbraw/zinc/18/96/09/1067189609.db2.gz VYMGZEDDDMMPRJ-FQEVSTJZSA-N 0 0 452.942 4.916 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Br)n1Cc1ccsc1 ZINC001545836430 1067189685 /nfs/dbraw/zinc/18/96/85/1067189685.db2.gz MWDXUDQNSVZVBO-UHFFFAOYSA-N 0 0 476.444 4.705 20 0 JJADRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCC[C@@H]3Cc3ccccc3Br)C2=O)c1 ZINC001451741334 1067190195 /nfs/dbraw/zinc/19/01/95/1067190195.db2.gz SZFLLLLKDPVTPJ-CTNGQTDRSA-N 0 0 455.396 4.653 20 0 JJADRN CCCCn1c(C)c(C)nc1SCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001458900972 1067190152 /nfs/dbraw/zinc/19/01/52/1067190152.db2.gz CRSHNQJQVFNQMS-UHFFFAOYSA-N 0 0 454.562 4.760 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C)c2C(F)(F)F)cc1 ZINC001451743683 1067190874 /nfs/dbraw/zinc/19/08/74/1067190874.db2.gz WRIBEIGHLUAECG-CRAIPNDOSA-N 0 0 466.504 4.717 20 0 JJADRN CC(C)(C)OC(=O)c1c(NC(=O)c2cccn(CC(F)(F)F)c2=O)sc2c1CCCC2 ZINC001458903942 1067191432 /nfs/dbraw/zinc/19/14/32/1067191432.db2.gz JVYNGJWBLLARJO-UHFFFAOYSA-N 0 0 456.486 4.559 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001451801613 1067192171 /nfs/dbraw/zinc/19/21/71/1067192171.db2.gz QMWLREKFRDBJNH-WNOPAQSVSA-N 0 0 453.579 4.658 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001458907806 1067192522 /nfs/dbraw/zinc/19/25/22/1067192522.db2.gz KJCZXVGKMPFLGE-VWLOTQADSA-N 0 0 452.551 4.654 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451805488 1067192532 /nfs/dbraw/zinc/19/25/32/1067192532.db2.gz MKFCWXYUKWYFOJ-QFBILLFUSA-N 0 0 477.424 4.949 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001545839123 1067192638 /nfs/dbraw/zinc/19/26/38/1067192638.db2.gz QIEZBUGUJHKPOP-UHFFFAOYSA-N 0 0 489.489 4.625 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@H]1CC[C@H](C)C1 ZINC001545838957 1067192740 /nfs/dbraw/zinc/19/27/40/1067192740.db2.gz JZTODRCREFAMKK-IRXDYDNUSA-N 0 0 454.644 4.879 20 0 JJADRN O=C(OCc1cc(Cl)c(Br)c(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC001458908392 1067193049 /nfs/dbraw/zinc/19/30/49/1067193049.db2.gz XKABFEZHYIXEAS-UHFFFAOYSA-N 0 0 456.123 4.982 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC001458908134 1067193111 /nfs/dbraw/zinc/19/31/11/1067193111.db2.gz LKLYYWHJJILQKG-WAIKUNEKSA-N 0 0 450.362 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545840974 1067193847 /nfs/dbraw/zinc/19/38/47/1067193847.db2.gz RKKIQPGPOXOLGU-GOSISDBHSA-N 0 0 467.614 4.545 20 0 JJADRN CCCN(C(=O)CCc1cc(C(F)(F)F)ccc1Br)[C@@H](CC)C(=O)OCC ZINC001458912237 1067194140 /nfs/dbraw/zinc/19/41/40/1067194140.db2.gz JZORPVQCXKREQU-INIZCTEOSA-N 0 0 452.311 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3cc4c(cc3Cl)CCC4=O)o2)CC1 ZINC001458912105 1067194163 /nfs/dbraw/zinc/19/41/63/1067194163.db2.gz GRIFGROIOIAIOM-UHFFFAOYSA-N 0 0 459.930 4.824 20 0 JJADRN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O ZINC001458912379 1067194257 /nfs/dbraw/zinc/19/42/57/1067194257.db2.gz AFKSOHXZTSDVQR-WSXQUGQNSA-N 0 0 472.385 4.655 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)c3cc4n(n3)CCC[C@@H]4NC(=O)OC(C)(C)C)CC2)c1 ZINC001545841297 1067194413 /nfs/dbraw/zinc/19/44/13/1067194413.db2.gz AUODEHFZELTKKP-NRFANRHFSA-N 0 0 450.583 4.789 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)c3cc(NS(C)(=O)=O)cc(C(F)(F)F)c3)CC2)c1 ZINC001545841473 1067194499 /nfs/dbraw/zinc/19/44/99/1067194499.db2.gz JAHSUXISCAKDCB-UHFFFAOYSA-N 0 0 452.498 4.623 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCc2c1cccc2Br ZINC001451857561 1067194640 /nfs/dbraw/zinc/19/46/40/1067194640.db2.gz DJMQMEPBGISILL-UHFFFAOYSA-N 0 0 451.320 4.561 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001451859204 1067194676 /nfs/dbraw/zinc/19/46/76/1067194676.db2.gz QSYRQWYQDWMTTO-RJXVEBOBSA-N 0 0 479.662 4.564 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCC2)c2ccccc21 ZINC001458915911 1067195381 /nfs/dbraw/zinc/19/53/81/1067195381.db2.gz UTXLXHNRAHNBMT-WMZHIEFXSA-N 0 0 450.579 4.954 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC(C)C)C(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001545843718 1067195596 /nfs/dbraw/zinc/19/55/96/1067195596.db2.gz GUKQVMWQCWHCFU-CTNGQTDRSA-N 0 0 492.709 4.713 20 0 JJADRN CC(C)(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1Br ZINC001545843458 1067195644 /nfs/dbraw/zinc/19/56/44/1067195644.db2.gz XLYLWEVDPLBSQP-UHFFFAOYSA-N 0 0 459.771 4.978 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001458916145 1067196011 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456.542 4.511 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC001451907923 1067197296 /nfs/dbraw/zinc/19/72/96/1067197296.db2.gz CHSHNERLYJERBM-SFHVURJKSA-N 0 0 454.739 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c(F)cccc2F)n1C[C@@H]1CCCCS1 ZINC001545845456 1067197358 /nfs/dbraw/zinc/19/73/58/1067197358.db2.gz HIXMQKWWNDUBFF-KRWDZBQOSA-N 0 0 465.614 4.787 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(Cl)s2)n1C[C@H]1CCOC[C@@H]1C ZINC001545845564 1067197393 /nfs/dbraw/zinc/19/73/93/1067197393.db2.gz KLTGQZLVUBGJJS-JKSUJKDBSA-N 0 0 468.067 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1Cc1ccsc1 ZINC001545845806 1067197954 /nfs/dbraw/zinc/19/79/54/1067197954.db2.gz SLJSKSOEPQCFEL-UHFFFAOYSA-N 0 0 459.566 4.754 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@H]1CCCSC1 ZINC001545845894 1067197983 /nfs/dbraw/zinc/19/79/83/1067197983.db2.gz VRKGXMNNTYICGU-GOSISDBHSA-N 0 0 468.671 4.848 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C[C@@H]2COc3ccccc3O2)n1C1CC(C(C)(C)C)C1 ZINC001545845881 1067198041 /nfs/dbraw/zinc/19/80/41/1067198041.db2.gz VJOHEYKZJHWVKY-DQVLVPHSSA-N 0 0 483.657 4.860 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1cc(O)cc(Br)c1 ZINC001451927828 1067198689 /nfs/dbraw/zinc/19/86/89/1067198689.db2.gz LLLBSBCCGFEASN-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC001451927726 1067198793 /nfs/dbraw/zinc/19/87/93/1067198793.db2.gz XLRJPNIKBMZHIV-UGKGYDQZSA-N 0 0 454.368 4.812 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2n1C)c1ccc2c(c1)OCCCO2 ZINC001458925343 1067198888 /nfs/dbraw/zinc/19/88/88/1067198888.db2.gz UKHJUZSCJASDQQ-JOCHJYFZSA-N 0 0 459.999 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)Cc1cccs1 ZINC001545846914 1067199121 /nfs/dbraw/zinc/19/91/21/1067199121.db2.gz FTGBAIRSEOPJJR-QGZVFWFLSA-N 0 0 461.676 4.531 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C[C@H](C)n2cc(Br)cn2)c1 ZINC001451934997 1067199381 /nfs/dbraw/zinc/19/93/81/1067199381.db2.gz LUJSCPXJLDTFOU-AWEZNQCLSA-N 0 0 451.365 4.569 20 0 JJADRN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2nc3cc(C(F)(F)F)ccc3o2)C1=O ZINC001458925836 1067199263 /nfs/dbraw/zinc/19/92/63/1067199263.db2.gz ZVYLHZZEHYHJAD-GOSISDBHSA-N 0 0 457.330 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545846995 1067199421 /nfs/dbraw/zinc/19/94/21/1067199421.db2.gz HXHAOYWUBSAHSF-UHFFFAOYSA-N 0 0 487.611 4.959 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001458929695 1067200090 /nfs/dbraw/zinc/20/00/90/1067200090.db2.gz MKIKISJWORQRAP-CRAIPNDOSA-N 0 0 455.967 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCc1cc(C)ccc1OC ZINC001545848407 1067200120 /nfs/dbraw/zinc/20/01/20/1067200120.db2.gz AJZVUJWXRWCLFG-IBGZPJMESA-N 0 0 455.647 4.629 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC001458928092 1067200110 /nfs/dbraw/zinc/20/01/10/1067200110.db2.gz GIDNUSYXTZETKI-UHFFFAOYSA-N 0 0 454.311 4.642 20 0 JJADRN Cc1nn(-c2ccccc2)c2nc(C(=O)N(C)Cc3ccc(Br)c(F)c3)ccc12 ZINC001458929974 1067200119 /nfs/dbraw/zinc/20/01/19/1067200119.db2.gz YJTGVMIQPPJTBF-UHFFFAOYSA-N 0 0 453.315 4.903 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001545848690 1067200359 /nfs/dbraw/zinc/20/03/59/1067200359.db2.gz DVQMNADXULZDCY-PMACEKPBSA-N 0 0 494.709 4.969 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccc(OC2CCCC2)nc1 ZINC001545848700 1067200383 /nfs/dbraw/zinc/20/03/83/1067200383.db2.gz DYQFFXUWIGUQRK-NQIIRXRSSA-N 0 0 468.646 4.586 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CS[C@H](C)c2ccc(F)cc2)c(C(=O)OCC)c1C ZINC001458932567 1067200618 /nfs/dbraw/zinc/20/06/18/1067200618.db2.gz AKMPTTMXLXKCLF-CYBMUJFWSA-N 0 0 453.557 4.982 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001458931413 1067200655 /nfs/dbraw/zinc/20/06/55/1067200655.db2.gz OVGXNKHKHWKVJQ-HNNXBMFYSA-N 0 0 459.775 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1Cc1cc(-c2ccccc2)no1 ZINC001545848767 1067201092 /nfs/dbraw/zinc/20/10/92/1067201092.db2.gz GDBNKPGLQINWGK-PXNSSMCTSA-N 0 0 450.587 4.525 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545848901 1067201500 /nfs/dbraw/zinc/20/15/00/1067201500.db2.gz HUQINWGWNAWBDV-HDICACEKSA-N 0 0 466.655 4.851 20 0 JJADRN COc1cc(NC(=O)[C@@H](C)OCCc2ccccc2)c(Br)cc1Br ZINC001458935129 1067201638 /nfs/dbraw/zinc/20/16/38/1067201638.db2.gz UMUZBMLLSVSXBH-GFCCVEGCSA-N 0 0 457.162 4.807 20 0 JJADRN COc1cc(NC(=O)[C@@]2(c3ccccc3)CCCO2)c(Br)cc1Br ZINC001458934767 1067201755 /nfs/dbraw/zinc/20/17/55/1067201755.db2.gz TVHYYSDQEIBYFH-SFHVURJKSA-N 0 0 455.146 4.865 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001545848891 1067201724 /nfs/dbraw/zinc/20/17/24/1067201724.db2.gz HRBFNTKGUPFTTD-GJZGRUSLSA-N 0 0 469.527 4.885 20 0 JJADRN COc1cc(NC(=O)Cc2ccc3cnccc3c2)c(Br)cc1Br ZINC001458933629 1067201826 /nfs/dbraw/zinc/20/18/26/1067201826.db2.gz RWLSRVFEHZIVIC-UHFFFAOYSA-N 0 0 450.130 4.950 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cccn2ncc(Br)c12 ZINC001458934403 1067201834 /nfs/dbraw/zinc/20/18/34/1067201834.db2.gz YVZRGZUSUWKZJZ-UHFFFAOYSA-N 0 0 457.553 4.785 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545849061 1067202239 /nfs/dbraw/zinc/20/22/39/1067202239.db2.gz JPRHUCRQTUZPIZ-HOTGVXAUSA-N 0 0 481.563 4.897 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC001458936171 1067202224 /nfs/dbraw/zinc/20/22/24/1067202224.db2.gz VGTXNBAHKRLDOZ-HXUWFJFHSA-N 0 0 459.955 4.767 20 0 JJADRN CCOC(=O)c1c(C[C@@H](C)CC)c(C)sc1NC(=O)CSc1nnc(C(C)C)n1C ZINC001458936523 1067202234 /nfs/dbraw/zinc/20/22/34/1067202234.db2.gz RJAMYGPXFYPVPQ-ZDUSSCGKSA-N 0 0 452.646 4.805 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001451981655 1067202406 /nfs/dbraw/zinc/20/24/06/1067202406.db2.gz OWFQFZQNRPUGFL-VWNXMTODSA-N 0 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C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452023087 1067204176 /nfs/dbraw/zinc/20/41/76/1067204176.db2.gz FLALSWSZEGNPCF-HSALFYBXSA-N 0 0 479.662 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001545849993 1067204831 /nfs/dbraw/zinc/20/48/31/1067204831.db2.gz XPRLVZXRHXQTFP-RBUKOAKNSA-N 0 0 480.657 4.608 20 0 JJADRN CCOC(=O)C(=C(O)CSc1nccn1-c1c(CC)cccc1CC)c1nc(C)cs1 ZINC001458946154 1067204899 /nfs/dbraw/zinc/20/48/99/1067204899.db2.gz VJSAWCYTZLGDMQ-IBGZPJMESA-N 0 0 457.621 4.770 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c2cnn(C(C)C)c2n1 ZINC001452044259 1067204870 /nfs/dbraw/zinc/20/48/70/1067204870.db2.gz CIBXGNIYVQIIIA-ZDUSSCGKSA-N 0 0 458.444 4.880 20 0 JJADRN CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546035369 1067205344 /nfs/dbraw/zinc/20/53/44/1067205344.db2.gz QNQUWJDVQJERTO-RBUKOAKNSA-N 0 0 465.683 4.547 20 0 JJADRN CCCCc1nc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)c(C(=O)OCC)[nH]1 ZINC001458950755 1067205941 /nfs/dbraw/zinc/20/59/41/1067205941.db2.gz BZKNXFFBXNJVAJ-UHFFFAOYSA-N 0 0 455.559 4.869 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)C1(C)C ZINC001452080941 1067205954 /nfs/dbraw/zinc/20/59/54/1067205954.db2.gz ODIZZUSVLIEORC-OYRDERLMSA-N 0 0 456.587 4.529 20 0 JJADRN O=C(OCc1ccc(I)c(Cl)c1)c1scnc1Br ZINC001458950787 1067206380 /nfs/dbraw/zinc/20/63/80/1067206380.db2.gz RNQAKHRTYRICTB-UHFFFAOYSA-N 0 0 458.502 4.521 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)CC2)s1 ZINC001458950897 1067206431 /nfs/dbraw/zinc/20/64/31/1067206431.db2.gz KMSZMCCLMLSZRF-HDICACEKSA-N 0 0 455.624 4.640 20 0 JJADRN COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)cc1OC ZINC001458952453 1067206767 /nfs/dbraw/zinc/20/67/67/1067206767.db2.gz VKJUNHREMCPWIE-KRWDZBQOSA-N 0 0 455.580 4.519 20 0 JJADRN CC1(C)OC(=O)c2c1cccc2C(=O)OCc1ccc(I)c(Cl)c1 ZINC001458952029 1067206886 /nfs/dbraw/zinc/20/68/86/1067206886.db2.gz WVRNKXLALOWLLS-UHFFFAOYSA-N 0 0 456.663 4.707 20 0 JJADRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)o2)c(C)c1 ZINC001458953173 1067206938 /nfs/dbraw/zinc/20/69/38/1067206938.db2.gz XNNMXLQEQWITTD-UHFFFAOYSA-N 0 0 450.564 4.757 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)ccc1Br ZINC001458953981 1067207442 /nfs/dbraw/zinc/20/74/42/1067207442.db2.gz ARNQEIYWEIJKSA-SNVBAGLBSA-N 0 0 453.312 4.940 20 0 JJADRN CCOC(=O)c1c(C(F)(F)F)coc1COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001458954725 1067207479 /nfs/dbraw/zinc/20/74/79/1067207479.db2.gz IGTMUGMXLGHFSV-HNNXBMFYSA-N 0 0 452.385 4.956 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(C)c1 ZINC001452100350 1067207608 /nfs/dbraw/zinc/20/76/08/1067207608.db2.gz KGLKIRZWEOSRRE-UHFFFAOYSA-N 0 0 457.615 4.834 20 0 JJADRN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC001452126537 1067208422 /nfs/dbraw/zinc/20/84/22/1067208422.db2.gz GCLVIXUZXACXSM-AEFFLSMTSA-N 0 0 453.364 4.929 20 0 JJADRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1nnc(CCc2ccccc2)o1 ZINC001458959459 1067208950 /nfs/dbraw/zinc/20/89/50/1067208950.db2.gz IEHSSTSNWQZMBK-UHFFFAOYSA-N 0 0 459.593 4.695 20 0 JJADRN Nn1c(S[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cncc(Br)c1 ZINC001458958117 1067209022 /nfs/dbraw/zinc/20/90/22/1067209022.db2.gz IQUMMGUESIGDQP-GOSISDBHSA-N 0 0 456.344 4.837 20 0 JJADRN O=C(Nc1ccc(SCc2ccccc2)c(Br)c1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001452146284 1067209497 /nfs/dbraw/zinc/20/94/97/1067209497.db2.gz FNCUYANYEVJQOC-UHFFFAOYSA-N 0 0 455.337 4.971 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC001458961532 1067209880 /nfs/dbraw/zinc/20/98/80/1067209880.db2.gz SMBVKMLHUQEGEJ-UHFFFAOYSA-N 0 0 454.506 4.592 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001452150638 1067209966 /nfs/dbraw/zinc/20/99/66/1067209966.db2.gz IUHUUJHPXQDDQC-GJECAEJISA-N 0 0 477.536 4.706 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1CC1 ZINC001458961434 1067209963 /nfs/dbraw/zinc/20/99/63/1067209963.db2.gz OEFCLZQEVFEEOA-GPMSIDNRSA-N 0 0 470.393 4.957 20 0 JJADRN Cc1cc([C@@H](CC(=O)Nc2nccn2-c2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001458963218 1067210592 /nfs/dbraw/zinc/21/05/92/1067210592.db2.gz ZRJHZURMWQCMLS-GOSISDBHSA-N 0 0 455.946 4.824 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001452151608 1067210551 /nfs/dbraw/zinc/21/05/51/1067210551.db2.gz ZTAWNMLWVRPUFO-UHFFFAOYSA-N 0 0 457.021 4.835 20 0 JJADRN C[C@H](C(=O)NCC[C@@H]1CSc2ccccc2O1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001452158349 1067210980 /nfs/dbraw/zinc/21/09/80/1067210980.db2.gz GHQJMPQPEZCNJJ-KPLVRAHFSA-N 0 0 456.608 4.948 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(C)C)C1 ZINC001546105148 1067211012 /nfs/dbraw/zinc/21/10/12/1067211012.db2.gz WIJPVQORPJFVIN-UHFFFAOYSA-N 0 0 475.703 4.894 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 ZINC001452167588 1067211457 /nfs/dbraw/zinc/21/14/57/1067211457.db2.gz ZPFLQEJKWCOMOZ-IAGOWNOFSA-N 0 0 454.571 4.580 20 0 JJADRN COc1cccc([C@H]2[C@H](C(=O)Oc3cc(C)c(Br)c(C)c3)CC(=O)N2C2CC2)c1 ZINC001458965544 1067211558 /nfs/dbraw/zinc/21/15/58/1067211558.db2.gz ZHYJEKDTRLBSRK-KNQAVFIVSA-N 0 0 458.352 4.732 20 0 JJADRN CCCCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)cc1 ZINC001458965627 1067211619 /nfs/dbraw/zinc/21/16/19/1067211619.db2.gz WRLMNKVIVGUDRL-UHFFFAOYSA-N 0 0 450.564 4.648 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)N(C)C(=O)OC(C)(C)C ZINC001452164482 1067211662 /nfs/dbraw/zinc/21/16/62/1067211662.db2.gz PBEYWICESURUNM-QFIPXVFZSA-N 0 0 453.583 4.837 20 0 JJADRN CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001546036604 1067212644 /nfs/dbraw/zinc/21/26/44/1067212644.db2.gz BJMZKDCWKNFVLP-IBGZPJMESA-N 0 0 479.463 4.758 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1cnc(Cc2ccccc2F)s1 ZINC001452179216 1067212673 /nfs/dbraw/zinc/21/26/73/1067212673.db2.gz LRGCZZNGIWOFGX-QGZVFWFLSA-N 0 0 454.445 4.625 20 0 JJADRN O=C(NC1CCN(c2cccnn2)CC1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001458968907 1067213047 /nfs/dbraw/zinc/21/30/47/1067213047.db2.gz WLRDKBXMRVLCLC-QFIPXVFZSA-N 0 0 457.361 4.689 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)ccn1 ZINC001452189587 1067213174 /nfs/dbraw/zinc/21/31/74/1067213174.db2.gz KOURSDYDWIXINR-INIZCTEOSA-N 0 0 454.958 4.528 20 0 JJADRN Cc1cnnn1-c1ccc(NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001452214934 1067214206 /nfs/dbraw/zinc/21/42/06/1067214206.db2.gz AQRSFVNPJSOTRI-RUZDIDTESA-N 0 0 456.546 4.853 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001458974020 1067214167 /nfs/dbraw/zinc/21/41/67/1067214167.db2.gz QHGYDJLHBMSPRE-UHFFFAOYSA-N 0 0 459.568 4.685 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c12 ZINC001452227328 1067214837 /nfs/dbraw/zinc/21/48/37/1067214837.db2.gz IRJATQGSINBFRS-HOTGVXAUSA-N 0 0 452.555 4.928 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)N3CC(C)(CC(F)F)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001452235566 1067215283 /nfs/dbraw/zinc/21/52/83/1067215283.db2.gz UEUQUXVHDHZNJQ-QPPBQGQZSA-N 0 0 456.533 4.992 20 0 JJADRN C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CC(C)(C)O1 ZINC001458976698 1067215289 /nfs/dbraw/zinc/21/52/89/1067215289.db2.gz IEQGULNUDJFKJE-INIZCTEOSA-N 0 0 456.999 4.706 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001546037187 1067215573 /nfs/dbraw/zinc/21/55/73/1067215573.db2.gz WNQCVHAUWWWAON-DYESRHJHSA-N 0 0 458.603 4.587 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001452246920 1067215631 /nfs/dbraw/zinc/21/56/31/1067215631.db2.gz NEEYQOVUEXNQEC-JOCHJYFZSA-N 0 0 459.468 4.779 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001452236973 1067215675 /nfs/dbraw/zinc/21/56/75/1067215675.db2.gz MVZLYRLEJSMMCV-MOPGFXCFSA-N 0 0 456.631 4.597 20 0 JJADRN Cc1c(CC(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)nnn1-c1ccc(C)cc1 ZINC001458977542 1067215718 /nfs/dbraw/zinc/21/57/18/1067215718.db2.gz YMUJFLOAEOAJOX-UHFFFAOYSA-N 0 0 452.440 4.541 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001546037188 1067215803 /nfs/dbraw/zinc/21/58/03/1067215803.db2.gz WNQCVHAUWWWAON-LAUBAEHRSA-N 0 0 458.603 4.587 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001452237001 1067215850 /nfs/dbraw/zinc/21/58/50/1067215850.db2.gz MVZLYRLEJSMMCV-RTBURBONSA-N 0 0 456.631 4.597 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)[C@@H]1Cc2ccc(F)cc21 ZINC001458978405 1067215856 /nfs/dbraw/zinc/21/58/56/1067215856.db2.gz CQFRRZIFAHYIBK-CYBMUJFWSA-N 0 0 450.169 4.832 20 0 JJADRN COc1ccc(OC)c([C@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1 ZINC001458978626 1067216298 /nfs/dbraw/zinc/21/62/98/1067216298.db2.gz NSEUZRZQNBKXQG-HXUWFJFHSA-N 0 0 455.511 4.568 20 0 JJADRN O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001452257907 1067216287 /nfs/dbraw/zinc/21/62/87/1067216287.db2.gz QAHOKYLBTDLYGD-HSZRJFAPSA-N 0 0 451.519 4.742 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)NCc2ccc(COc3cccc(F)c3)cc2)o1 ZINC001452251273 1067216358 /nfs/dbraw/zinc/21/63/58/1067216358.db2.gz GYPYGRRKPGVGDD-UHFFFAOYSA-N 0 0 451.523 4.954 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001546037276 1067216396 /nfs/dbraw/zinc/21/63/96/1067216396.db2.gz ZJDGZZIUQCABPZ-UHFFFAOYSA-N 0 0 453.656 4.877 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452264504 1067216766 /nfs/dbraw/zinc/21/67/66/1067216766.db2.gz BJPVRLBBRZPZEJ-ZWKOTPCHSA-N 0 0 464.484 4.697 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458980114 1067216786 /nfs/dbraw/zinc/21/67/86/1067216786.db2.gz XPUKGMCGUALUSH-LEWJYISDSA-N 0 0 452.636 4.726 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452260478 1067216839 /nfs/dbraw/zinc/21/68/39/1067216839.db2.gz YGHVSBIEFMMQPY-AUUYWEPGSA-N 0 0 451.489 4.639 20 0 JJADRN Cc1ccc(-n2ncc3c2ncn(CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)c3=O)cc1 ZINC001458981306 1067217083 /nfs/dbraw/zinc/21/70/83/1067217083.db2.gz KWFHEICVZDPGNN-VWLOTQADSA-N 0 0 457.578 4.528 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1 ZINC001452267121 1067217160 /nfs/dbraw/zinc/21/71/60/1067217160.db2.gz HDPGNVLMGWILEV-LEWJYISDSA-N 0 0 481.980 4.907 20 0 JJADRN COCc1sccc1C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458982013 1067217803 /nfs/dbraw/zinc/21/78/03/1067217803.db2.gz OKSYDKHJRCWZBP-UHFFFAOYSA-N 0 0 456.223 4.875 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452275575 1067217862 /nfs/dbraw/zinc/21/78/62/1067217862.db2.gz VYJZLMBWTZXBMN-JKSUJKDBSA-N 0 0 468.591 4.893 20 0 JJADRN Cc1nc2[nH]c(SCC(=O)N(C)Cc3c(F)cccc3Cl)nc2cc1Br ZINC001458983290 1067218164 /nfs/dbraw/zinc/21/81/64/1067218164.db2.gz VNOOXMJGEUVSRL-UHFFFAOYSA-N 0 0 457.756 4.572 20 0 JJADRN Cc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 ZINC001458983022 1067218189 /nfs/dbraw/zinc/21/81/89/1067218189.db2.gz CSTVFNZXQVNRCJ-KRWDZBQOSA-N 0 0 450.539 4.831 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@H]1c1ccccc1 ZINC001452276154 1067218328 /nfs/dbraw/zinc/21/83/28/1067218328.db2.gz KGZMMJZCQZNSCA-VQTJNVASSA-N 0 0 472.010 4.844 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)s1 ZINC001452284147 1067218352 /nfs/dbraw/zinc/21/83/52/1067218352.db2.gz VGIZSJWLHXOAIW-LJQANCHMSA-N 0 0 451.567 4.816 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452280259 1067218360 /nfs/dbraw/zinc/21/83/60/1067218360.db2.gz QVRWPKXOVYCPCJ-KRWDZBQOSA-N 0 0 457.596 4.878 20 0 JJADRN CC(C)(C)c1ccc(CCNC(=O)CSc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001458983770 1067218626 /nfs/dbraw/zinc/21/86/26/1067218626.db2.gz QINVFCFHISEUFE-UHFFFAOYSA-N 0 0 459.555 4.729 20 0 JJADRN O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1CC(F)(F)c1ccc(F)cc1 ZINC001458983567 1067218693 /nfs/dbraw/zinc/21/86/93/1067218693.db2.gz WYQCKVHMMRXZKY-UHFFFAOYSA-N 0 0 453.251 4.879 20 0 JJADRN CN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458983605 1067218746 /nfs/dbraw/zinc/21/87/46/1067218746.db2.gz DXHFFGFZALJVIO-UHFFFAOYSA-N 0 0 454.502 4.615 20 0 JJADRN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1)Cc1cccc(Br)c1 ZINC001458985282 1067219226 /nfs/dbraw/zinc/21/92/26/1067219226.db2.gz WRISJPHESDCEAF-UHFFFAOYSA-N 0 0 453.301 4.647 20 0 JJADRN CC(C)(C)OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)CCCc1ccc(Cl)cc1 ZINC001452320336 1067219409 /nfs/dbraw/zinc/21/94/09/1067219409.db2.gz BLYLMMZZSALFIY-NRFANRHFSA-N 0 0 459.970 4.623 20 0 JJADRN CN(Cc1c(F)cccc1Cl)C(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458985501 1067219682 /nfs/dbraw/zinc/21/96/82/1067219682.db2.gz WZYZSFKMVWABCY-UHFFFAOYSA-N 0 0 455.882 4.523 20 0 JJADRN Cn1c(COc2ccccc2)nnc1SCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001458985313 1067219739 /nfs/dbraw/zinc/21/97/39/1067219739.db2.gz OBNDUOBOTZXOKC-QHCPKHFHSA-N 0 0 454.571 4.673 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1cnn(CC(=O)OC(C)(C)C)c1 ZINC001452336025 1067220309 /nfs/dbraw/zinc/22/03/09/1067220309.db2.gz XOGMETWLXMKBGV-UHFFFAOYSA-N 0 0 450.358 4.763 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n[nH]2)c1 ZINC001452334851 1067220325 /nfs/dbraw/zinc/22/03/25/1067220325.db2.gz ZOZUAEWUZCMCKD-GOSISDBHSA-N 0 0 452.580 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NCc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC001452340608 1067220352 /nfs/dbraw/zinc/22/03/52/1067220352.db2.gz FJQBLYMJJQQDNI-OAQYLSRUSA-N 0 0 452.599 4.900 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC001458987220 1067220623 /nfs/dbraw/zinc/22/06/23/1067220623.db2.gz BNGUACFCHVCOQX-LBPRGKRZSA-N 0 0 457.162 4.646 20 0 JJADRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)n2N)c1 ZINC001458987745 1067221190 /nfs/dbraw/zinc/22/11/90/1067221190.db2.gz JXNHGPLSMZMXRS-CHWSQXEVSA-N 0 0 450.395 4.632 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@@H](c2cccnc2)C1)NC(=O)OC(C)(C)C ZINC001452396400 1067221392 /nfs/dbraw/zinc/22/13/92/1067221392.db2.gz XBMAPCYOMRFVFE-IFMALSPDSA-N 0 0 453.583 4.842 20 0 JJADRN CCc1nc(C(=O)N[C@H](Cc2ccccc2)c2ncco2)nn1-c1c(Cl)cccc1Cl ZINC001452395655 1067221424 /nfs/dbraw/zinc/22/14/24/1067221424.db2.gz ADOAWCVVBFRDHI-QGZVFWFLSA-N 0 0 456.333 4.838 20 0 JJADRN CCc1c(NC(=O)[C@H](CC)Cc2ccccc2Br)nnn1Cc1ccc(F)cc1 ZINC001458988847 1067221596 /nfs/dbraw/zinc/22/15/96/1067221596.db2.gz IDSJDUOWRCMKMX-MRXNPFEDSA-N 0 0 459.363 4.998 20 0 JJADRN C[C@@](CO)(NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 ZINC001452413312 1067222221 /nfs/dbraw/zinc/22/22/21/1067222221.db2.gz LODOGDCFEBBRRY-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN C[C@@](CO)(NC(=O)CCCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001452414318 1067222342 /nfs/dbraw/zinc/22/23/42/1067222342.db2.gz CRLMFYAJMLRTGV-IBGZPJMESA-N 0 0 455.190 4.558 20 0 JJADRN COc1ccc(-n2c(S[C@H](C(=O)N3CCC[C@@H](C)C3)C(C)C)nnc2-c2ccco2)cc1 ZINC001458992443 1067222488 /nfs/dbraw/zinc/22/24/88/1067222488.db2.gz HWBLVVDREFEIQG-UTKZUKDTSA-N 0 0 454.596 4.911 20 0 JJADRN COc1ccc(-c2cc(-c3nnc(SCSCc4ccc(Cl)cc4)n3N)n[nH]2)cc1 ZINC001458992667 1067222579 /nfs/dbraw/zinc/22/25/79/1067222579.db2.gz WBRYRCBSECDPSU-UHFFFAOYSA-N 0 0 459.000 4.694 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ncco1)c1c(F)cccc1F ZINC001452415532 1067222789 /nfs/dbraw/zinc/22/27/89/1067222789.db2.gz CASKMLIIBJZSKD-UYAOXDASSA-N 0 0 457.477 4.619 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3cc(Br)nc(Br)c3)CC2)c1 ZINC001458994328 1067223407 /nfs/dbraw/zinc/22/34/07/1067223407.db2.gz OXORPKJJTXKLRO-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1Cl ZINC001452434419 1067223677 /nfs/dbraw/zinc/22/36/77/1067223677.db2.gz GRSGEPIPNYFRRC-IBGZPJMESA-N 0 0 452.776 4.671 20 0 JJADRN COc1cc(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)ccc1C(F)(F)F ZINC001458997153 1067223715 /nfs/dbraw/zinc/22/37/15/1067223715.db2.gz GSVSKINIOGHXQE-UHFFFAOYSA-N 0 0 458.362 4.933 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](c3ccccc3)C3(CO)CCCC3)cc21 ZINC001452436939 1067223923 /nfs/dbraw/zinc/22/39/23/1067223923.db2.gz PZVAIAQZWBNAAW-NRFANRHFSA-N 0 0 457.368 4.963 20 0 JJADRN Nn1c(SCc2nccc(Cl)c2Cl)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001458995343 1067223890 /nfs/dbraw/zinc/22/38/90/1067223890.db2.gz YXHZMGWKWIBABW-UHFFFAOYSA-N 0 0 452.758 4.697 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001452438542 1067223935 /nfs/dbraw/zinc/22/39/35/1067223935.db2.gz MQSZMEOMKNWTCX-MOPGFXCFSA-N 0 0 452.776 4.709 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](O)[C@@H]3CCc3ccccc3)s2)c(F)c1 ZINC001452445206 1067224274 /nfs/dbraw/zinc/22/42/74/1067224274.db2.gz UHGZOWAARKDALA-FCHUYYIVSA-N 0 0 454.567 4.865 20 0 JJADRN CCc1c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nnn1Cc1ccc(F)cc1 ZINC001458997696 1067224786 /nfs/dbraw/zinc/22/47/86/1067224786.db2.gz JDDUJVRXULOVSV-UHFFFAOYSA-N 0 0 458.497 4.924 20 0 JJADRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)c1cscn1 ZINC001458997728 1067224857 /nfs/dbraw/zinc/22/48/57/1067224857.db2.gz QTHVWPLJGLWXFV-UHFFFAOYSA-N 0 0 458.362 4.580 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](O)[C@H]3CCc3ccccc3)s2)c(F)c1 ZINC001452445209 1067224792 /nfs/dbraw/zinc/22/47/92/1067224792.db2.gz UHGZOWAARKDALA-YADHBBJMSA-N 0 0 454.567 4.865 20 0 JJADRN O=C(COc1cccc(F)c1I)N[C@H](c1ccccc1)C1CCCC1 ZINC001458998529 1067225188 /nfs/dbraw/zinc/22/51/88/1067225188.db2.gz UMYNGRWHDOJVPI-HXUWFJFHSA-N 0 0 453.295 4.857 20 0 JJADRN CC(C)(C)N(Cc1cccc(F)c1)C(=O)COc1cccc(F)c1I ZINC001458998424 1067225247 /nfs/dbraw/zinc/22/52/47/1067225247.db2.gz TVLVLAUYPMGFKD-UHFFFAOYSA-N 0 0 459.274 4.776 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](c3ccccc3)C3(CO)CCCCC3)n2)n1 ZINC001452454749 1067225254 /nfs/dbraw/zinc/22/52/54/1067225254.db2.gz BHQGNBGWPNBRPL-QHCPKHFHSA-N 0 0 452.986 4.951 20 0 JJADRN COc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(C)C ZINC001458999039 1067225260 /nfs/dbraw/zinc/22/52/60/1067225260.db2.gz SUTFLFMAEBHVDD-HXUWFJFHSA-N 0 0 452.536 4.943 20 0 JJADRN Cc1c(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cnn1-c1ccc(C)cc1 ZINC001459002146 1067226685 /nfs/dbraw/zinc/22/66/85/1067226685.db2.gz YNTOHMCIUPHNRR-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3ccccn3)c2)cc1 ZINC001452487359 1067227143 /nfs/dbraw/zinc/22/71/43/1067227143.db2.gz GDIDBFJZSAOGCG-IBGZPJMESA-N 0 0 451.592 4.586 20 0 JJADRN Cc1sc2nnn(CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)c(=O)c2c1C ZINC001459006122 1067227763 /nfs/dbraw/zinc/22/77/63/1067227763.db2.gz HHUUOPJFBYRDGX-UHFFFAOYSA-N 0 0 450.589 4.877 20 0 JJADRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nnnn1-c1ccc(Br)cc1 ZINC001459006829 1067228194 /nfs/dbraw/zinc/22/81/94/1067228194.db2.gz CWOVOLGNMCTNCN-INIZCTEOSA-N 0 0 455.740 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NCCCc2nc(-c3ccccn3)cs2)C1 ZINC001452493837 1067228226 /nfs/dbraw/zinc/22/82/26/1067228226.db2.gz JBOHUANJMKYFLA-SFHVURJKSA-N 0 0 458.628 4.681 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)c2)n1 ZINC001452493815 1067228234 /nfs/dbraw/zinc/22/82/34/1067228234.db2.gz JEBLFURYLOSPFA-FFZOFVMBSA-N 0 0 468.598 4.665 20 0 JJADRN C[C@H](NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497344 1067228602 /nfs/dbraw/zinc/22/86/02/1067228602.db2.gz MSPGKCSWLDSPQC-RQTRHGSASA-N 0 0 464.647 4.698 20 0 JJADRN CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459012176 1067228598 /nfs/dbraw/zinc/22/85/98/1067228598.db2.gz HPBUFBPZSZAUFD-INIZCTEOSA-N 0 0 453.404 4.674 20 0 JJADRN CC(C)C[C@H](CNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)CC(=O)O[C@@H]1CCOC1 ZINC001452496811 1067228730 /nfs/dbraw/zinc/22/87/30/1067228730.db2.gz SFPQERGMVXMZIV-GAMXZPBPSA-N 0 0 459.583 4.929 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)c1 ZINC001546105515 1067229283 /nfs/dbraw/zinc/22/92/83/1067229283.db2.gz LALOOWJJFJOGJN-UHFFFAOYSA-N 0 0 458.624 4.997 20 0 JJADRN COCCS(=O)(=O)c1ccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)cc1 ZINC001459015574 1067229648 /nfs/dbraw/zinc/22/96/48/1067229648.db2.gz HCYVGKKTMSTWEH-UHFFFAOYSA-N 0 0 450.000 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCc1nc(-c2ccccn2)cs1 ZINC001452504126 1067229958 /nfs/dbraw/zinc/22/99/58/1067229958.db2.gz WBMZDPHNRUPLFK-CSODHUTKSA-N 0 0 456.612 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCc1nc(-c2ccccn2)cs1 ZINC001452504149 1067230161 /nfs/dbraw/zinc/23/01/61/1067230161.db2.gz WBMZDPHNRUPLFK-FVJLSDCUSA-N 0 0 456.612 4.637 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC001459019277 1067230221 /nfs/dbraw/zinc/23/02/21/1067230221.db2.gz AIXWSYFKMNXJBF-INIZCTEOSA-N 0 0 458.358 4.782 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC(c3cccnc3)=NO1)CC(C)(C)CC2 ZINC001459020094 1067230320 /nfs/dbraw/zinc/23/03/20/1067230320.db2.gz SWQRJTXQRWDQJU-QGZVFWFLSA-N 0 0 455.580 4.745 20 0 JJADRN CSc1ccsc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105549 1067230327 /nfs/dbraw/zinc/23/03/27/1067230327.db2.gz NANPKCBNTLYIGO-UHFFFAOYSA-N 0 0 454.982 4.882 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001452517721 1067230509 /nfs/dbraw/zinc/23/05/09/1067230509.db2.gz PFAOLEJNLARIOR-UHFFFAOYSA-N 0 0 453.749 4.990 20 0 JJADRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452513310 1067230550 /nfs/dbraw/zinc/23/05/50/1067230550.db2.gz GCZYMOOPIAWCTJ-LLVKDONJSA-N 0 0 457.394 4.923 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001546039841 1067231098 /nfs/dbraw/zinc/23/10/98/1067231098.db2.gz NCRQDYJOCCOIOZ-OAQYLSRUSA-N 0 0 477.694 4.645 20 0 JJADRN CC(C)Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)n[nH]1 ZINC001452520548 1067231127 /nfs/dbraw/zinc/23/11/27/1067231127.db2.gz NHSXSVPMHYRHBE-UHFFFAOYSA-N 0 0 456.959 4.833 20 0 JJADRN CCCCCn1nc(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)c2ccccc2c1=O ZINC001459024107 1067231282 /nfs/dbraw/zinc/23/12/82/1067231282.db2.gz ODUPQMIYADCBJT-UHFFFAOYSA-N 0 0 450.970 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1cc(F)cc(F)c1Br ZINC001459026325 1067231779 /nfs/dbraw/zinc/23/17/79/1067231779.db2.gz XWKSZFUHJLHKQO-INIZCTEOSA-N 0 0 457.271 4.793 20 0 JJADRN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001452529411 1067232066 /nfs/dbraw/zinc/23/20/66/1067232066.db2.gz YACJZELQUURVBC-SNVBAGLBSA-N 0 0 455.363 4.866 20 0 JJADRN O=c1c2c(ncn1CCCCOc1ccccc1C(F)(F)F)CN(Cc1ccccc1)CC2 ZINC001459027666 1067232139 /nfs/dbraw/zinc/23/21/39/1067232139.db2.gz QIAJOOPHOQVWQK-UHFFFAOYSA-N 0 0 457.496 4.680 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001546039995 1067232590 /nfs/dbraw/zinc/23/25/90/1067232590.db2.gz SAFVMVWDNLRLMT-OAQYLSRUSA-N 0 0 478.584 4.741 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459028981 1067232678 /nfs/dbraw/zinc/23/26/78/1067232678.db2.gz FFEOIQNGZOAOQA-YXKFXFPPSA-N 0 0 450.760 4.957 20 0 JJADRN COCCOc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)nc2ccccc21 ZINC001459029103 1067232798 /nfs/dbraw/zinc/23/27/98/1067232798.db2.gz CZKJCSNZONDMEO-AWEZNQCLSA-N 0 0 459.340 4.522 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC001459030422 1067233928 /nfs/dbraw/zinc/23/39/28/1067233928.db2.gz GMYZGYLXAXCCLU-UHFFFAOYSA-N 0 0 459.731 4.976 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 ZINC001459031880 1067234218 /nfs/dbraw/zinc/23/42/18/1067234218.db2.gz HKPNJFPFMNAZDR-LJQANCHMSA-N 0 0 458.274 4.719 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC001459032753 1067234416 /nfs/dbraw/zinc/23/44/16/1067234416.db2.gz WTAYISUVMBZOAA-UHFFFAOYSA-N 0 0 455.483 4.726 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C12CCC2 ZINC001452568322 1067234662 /nfs/dbraw/zinc/23/46/62/1067234662.db2.gz OMHYEKBGIYYMKF-HZPDHXFCSA-N 0 0 457.796 4.597 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001452564404 1067234714 /nfs/dbraw/zinc/23/47/14/1067234714.db2.gz TUCLCIOGIUBWGZ-RTBURBONSA-N 0 0 459.587 4.528 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001452564398 1067234765 /nfs/dbraw/zinc/23/47/65/1067234765.db2.gz TUCLCIOGIUBWGZ-OALUTQOASA-N 0 0 459.587 4.528 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC001459034842 1067235411 /nfs/dbraw/zinc/23/54/11/1067235411.db2.gz NPLDTJZMNQURPS-TZYHBYERSA-N 0 0 458.986 4.970 20 0 JJADRN O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001459037404 1067235717 /nfs/dbraw/zinc/23/57/17/1067235717.db2.gz LIKAPLLEVSLXPF-UHFFFAOYSA-N 0 0 459.795 4.728 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)c1Cl ZINC001452613048 1067236697 /nfs/dbraw/zinc/23/66/97/1067236697.db2.gz RKPAFYDXBGMZNH-UHFFFAOYSA-N 0 0 457.314 4.526 20 0 JJADRN CCc1c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)cnn1-c1ccccc1Cl ZINC001452613668 1067237249 /nfs/dbraw/zinc/23/72/49/1067237249.db2.gz QMNGZAAPOFPBBL-RBUKOAKNSA-N 0 0 472.372 4.770 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCCC(=O)c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452613720 1067237386 /nfs/dbraw/zinc/23/73/86/1067237386.db2.gz RHMQGFPSTJQCPH-FCHUYYIVSA-N 0 0 457.954 4.507 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452619166 1067237797 /nfs/dbraw/zinc/23/77/97/1067237797.db2.gz GBQXAALXPHLOJB-LEWJYISDSA-N 0 0 454.885 4.695 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)c1 ZINC001452620010 1067237895 /nfs/dbraw/zinc/23/78/95/1067237895.db2.gz LZKFBJLZWYWWAU-ZWKOTPCHSA-N 0 0 465.333 4.591 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452627753 1067238329 /nfs/dbraw/zinc/23/83/29/1067238329.db2.gz BKQIGHNLDQMIGP-AWEZNQCLSA-N 0 0 456.732 4.561 20 0 JJADRN COC(=O)[C@]12CN(C(=O)c3cc(Cl)c(NC(=O)OC(C)(C)C)cc3OC)C[C@H]1CCCC2 ZINC001452622468 1067238411 /nfs/dbraw/zinc/23/84/11/1067238411.db2.gz PJXFANRDYZRTLZ-QKFKETGDSA-N 0 0 466.962 4.501 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459046910 1067238718 /nfs/dbraw/zinc/23/87/18/1067238718.db2.gz BONIGQKQAZVHOI-VGSWGCGISA-N 0 0 458.524 4.853 20 0 JJADRN O=C(c1cccc(-n2cc[nH]c2=O)c1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452632420 1067238730 /nfs/dbraw/zinc/23/87/30/1067238730.db2.gz JRLCWOZGFIEWLM-UHFFFAOYSA-N 0 0 451.741 4.501 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)O[C@@H](C)c1ccc(Cl)cn1 ZINC001459048058 1067238856 /nfs/dbraw/zinc/23/88/56/1067238856.db2.gz BKVRRCVRSJQMOR-QMMMGPOBSA-N 0 0 452.075 4.920 20 0 JJADRN COc1cc(NC(=O)c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)cc(Cl)c1OC ZINC001452636855 1067238839 /nfs/dbraw/zinc/23/88/39/1067238839.db2.gz SWHWFBYUXLZIGM-UHFFFAOYSA-N 0 0 450.882 4.738 20 0 JJADRN O=C(c1cc(F)ccc1I)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452636656 1067238907 /nfs/dbraw/zinc/23/89/07/1067238907.db2.gz GLGXGTNXUUJPHQ-UHFFFAOYSA-N 0 0 454.670 4.764 20 0 JJADRN CC1(C)CN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CC(C)(C)O1 ZINC001459048020 1067238911 /nfs/dbraw/zinc/23/89/11/1067238911.db2.gz CDYISKRWNKGQLA-UHFFFAOYSA-N 0 0 454.571 4.582 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)C1CCCCCC1 ZINC001452640499 1067239314 /nfs/dbraw/zinc/23/93/14/1067239314.db2.gz BFDMLJCUJHMARH-JOCHJYFZSA-N 0 0 458.628 4.501 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cnc(C2CC2)s1 ZINC001459051567 1067239609 /nfs/dbraw/zinc/23/96/09/1067239609.db2.gz XXWXMXNUGXTLAW-OAHLLOKOSA-N 0 0 451.386 4.613 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)Cc1cc2ccccc2o1 ZINC001459051594 1067239674 /nfs/dbraw/zinc/23/96/74/1067239674.db2.gz YEJAUMURXNOTHV-SFHVURJKSA-N 0 0 458.352 4.954 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(Br)C1 ZINC001546041457 1067239782 /nfs/dbraw/zinc/23/97/82/1067239782.db2.gz CKDIFZDPWFFYFA-UHFFFAOYSA-N 0 0 481.460 4.619 20 0 JJADRN C[C@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)OCc1ccccc1 ZINC001452645461 1067239800 /nfs/dbraw/zinc/23/98/00/1067239800.db2.gz XJOPIBNFZXOOIU-GHTZIAJQSA-N 0 0 454.567 4.527 20 0 JJADRN COc1cc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)ccc1OCc1ccccc1Cl ZINC001452644988 1067239812 /nfs/dbraw/zinc/23/98/12/1067239812.db2.gz UKHRURSDVHOGTQ-QGZVFWFLSA-N 0 0 453.922 4.789 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC001459052668 1067240095 /nfs/dbraw/zinc/24/00/95/1067240095.db2.gz KNWJKSPGYKMLGO-QHCPKHFHSA-N 0 0 458.580 4.537 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC001459052661 1067240141 /nfs/dbraw/zinc/24/01/41/1067240141.db2.gz KNWJKSPGYKMLGO-HSZRJFAPSA-N 0 0 458.580 4.537 20 0 JJADRN CC(C)(C)c1cc(Br)cc(NC(=O)CNC(=O)Nc2cccc(Cl)c2)c1O ZINC001452647394 1067240273 /nfs/dbraw/zinc/24/02/73/1067240273.db2.gz BLMSQPXTAHCJEI-UHFFFAOYSA-N 0 0 454.752 4.866 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001546041646 1067240296 /nfs/dbraw/zinc/24/02/96/1067240296.db2.gz JMBAHQKFZXYMLX-UHFFFAOYSA-N 0 0 470.017 4.636 20 0 JJADRN Cc1cc2c(ncnc2S[C@@H](C)C(=O)Nc2ccc(I)cc2)s1 ZINC001459055119 1067240557 /nfs/dbraw/zinc/24/05/57/1067240557.db2.gz VSIFXYLWMGCLJZ-JTQLQIEISA-N 0 0 455.346 4.724 20 0 JJADRN Cc1cnc(OC2CCN(C(=O)C3(c4ccccc4Br)CCCCC3)CC2)nc1 ZINC001452653709 1067240994 /nfs/dbraw/zinc/24/09/94/1067240994.db2.gz JKVLKTQMERGMMG-UHFFFAOYSA-N 0 0 458.400 4.819 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1F ZINC001452657253 1067241281 /nfs/dbraw/zinc/24/12/81/1067241281.db2.gz XAPAOADNFHMGKC-HSZRJFAPSA-N 0 0 454.523 4.710 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(COC)CC1 ZINC001546041851 1067241345 /nfs/dbraw/zinc/24/13/45/1067241345.db2.gz PWBMFJOMUVOKAL-UHFFFAOYSA-N 0 0 485.456 4.968 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C1CC1 ZINC001459059516 1067241781 /nfs/dbraw/zinc/24/17/81/1067241781.db2.gz PAUQBNVMDSHZMX-KRWDZBQOSA-N 0 0 459.593 4.831 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001546041925 1067241928 /nfs/dbraw/zinc/24/19/28/1067241928.db2.gz RMYPBVJRQCXCEF-UHFFFAOYSA-N 0 0 496.656 4.781 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3cc(OC)cc(Br)c3OC)CC2)n1 ZINC001452661518 1067241980 /nfs/dbraw/zinc/24/19/80/1067241980.db2.gz XWNGOFPJCCVQNF-UHFFFAOYSA-N 0 0 453.402 4.580 20 0 JJADRN Cc1cc(Br)c(NC(=O)COc2cnc(F)cc2Cl)c(Br)c1 ZINC001459069143 1067243302 /nfs/dbraw/zinc/24/33/02/1067243302.db2.gz BNSJAHYZPKXLOD-UHFFFAOYSA-N 0 0 452.505 4.725 20 0 JJADRN CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)N[C@](C)(c2ccc(C)c(C)c2)C1=O ZINC001459070662 1067243727 /nfs/dbraw/zinc/24/37/27/1067243727.db2.gz CAIFWUYZERRFQG-XMMPIXPASA-N 0 0 454.523 4.801 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1Br ZINC001459069629 1067243758 /nfs/dbraw/zinc/24/37/58/1067243758.db2.gz LONCBSPLYBTYGZ-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC001459070515 1067243865 /nfs/dbraw/zinc/24/38/65/1067243865.db2.gz NWZDWPVPLDRCCM-LJQANCHMSA-N 0 0 457.452 4.647 20 0 JJADRN COc1ccccc1S(=O)(=O)CCCSc1cc(Cl)c(N)cc1Br ZINC001459069389 1067243908 /nfs/dbraw/zinc/24/39/08/1067243908.db2.gz CGAVBNHWTARBLY-UHFFFAOYSA-N 0 0 450.807 4.649 20 0 JJADRN Cc1cc2ccccc2nc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452688731 1067243903 /nfs/dbraw/zinc/24/39/03/1067243903.db2.gz VNWRWXGCFLERMM-KSEOMHKRSA-N 0 0 453.583 4.610 20 0 JJADRN Cc1cc2ccccc2nc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452688721 1067243960 /nfs/dbraw/zinc/24/39/60/1067243960.db2.gz VNWRWXGCFLERMM-CEMLEFRQSA-N 0 0 453.583 4.610 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)ccc1Br ZINC001459071340 1067244195 /nfs/dbraw/zinc/24/41/95/1067244195.db2.gz QAAKEGFSDQWFBY-INIZCTEOSA-N 0 0 457.365 4.504 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3OC)cn2)ccc1Br ZINC001459071359 1067244260 /nfs/dbraw/zinc/24/42/60/1067244260.db2.gz QHGBMNYMKMQYJR-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCCC(C)(C)C2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001459071173 1067244301 /nfs/dbraw/zinc/24/43/01/1067244301.db2.gz HMMJJRAVTNXWGD-FQEVSTJZSA-N 0 0 456.608 4.535 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 ZINC001459072936 1067244851 /nfs/dbraw/zinc/24/48/51/1067244851.db2.gz MZCUIXSJSFLVPN-UHFFFAOYSA-N 0 0 450.988 4.800 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001452693016 1067245103 /nfs/dbraw/zinc/24/51/03/1067245103.db2.gz WBKMHHNRKLCEBN-XZOQPEGZSA-N 0 0 455.595 4.573 20 0 JJADRN Cc1nc(C(F)(F)F)nn1CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1 ZINC001459074045 1067245364 /nfs/dbraw/zinc/24/53/64/1067245364.db2.gz CTUHYNVACJMOSC-UHFFFAOYSA-N 0 0 454.456 4.714 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CSCc1ccc(C(F)(F)F)cc1 ZINC001459076153 1067245808 /nfs/dbraw/zinc/24/58/08/1067245808.db2.gz ZSYYUTAHQPMRJC-UHFFFAOYSA-N 0 0 457.543 4.759 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001459076166 1067246286 /nfs/dbraw/zinc/24/62/86/1067246286.db2.gz PBWXTXVPFMVBPK-KDOFPFPSSA-N 0 0 456.425 4.635 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001546043404 1067246601 /nfs/dbraw/zinc/24/66/01/1067246601.db2.gz RNICQLGXBBVXOQ-PKTZIBPZSA-N 0 0 497.684 4.970 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@@H]1N1CCOCC1 ZINC001452725571 1067246617 /nfs/dbraw/zinc/24/66/17/1067246617.db2.gz IYBARYAJHISTCP-MOPGFXCFSA-N 0 0 454.514 4.543 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1(CO)CC=CC1)c1[nH]nc(-c2ccccc2)c1Br ZINC001452734289 1067246924 /nfs/dbraw/zinc/24/69/24/1067246924.db2.gz WWNDNTDTAWBKMG-OAQYLSRUSA-N 0 0 452.352 4.639 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001452734528 1067247080 /nfs/dbraw/zinc/24/70/80/1067247080.db2.gz LLZGUDKECQOJDA-UHFFFAOYSA-N 0 0 451.007 4.542 20 0 JJADRN O=C(Nc1ccccc1Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001546042704 1067247093 /nfs/dbraw/zinc/24/70/93/1067247093.db2.gz VCMHOCLVSOWRDW-GOSISDBHSA-N 0 0 453.539 4.609 20 0 JJADRN Cc1cc(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)ccc1-n1cncn1 ZINC001459077728 1067246952 /nfs/dbraw/zinc/24/69/52/1067246952.db2.gz RHJKAKYUASFSAB-UHFFFAOYSA-N 0 0 451.280 4.745 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)COCCc1ccc(Br)cc1 ZINC001459078604 1067246981 /nfs/dbraw/zinc/24/69/81/1067246981.db2.gz ZHOKQICFNZKAOY-CQSZACIVSA-N 0 0 456.764 4.714 20 0 JJADRN CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(Cl)c1 ZINC001459078379 1067246997 /nfs/dbraw/zinc/24/69/97/1067246997.db2.gz RGFDXWACWJDDBJ-OAHLLOKOSA-N 0 0 451.350 4.647 20 0 JJADRN O=C1c2ccccc2C(=O)N1CCOCCS[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC001459080777 1067247376 /nfs/dbraw/zinc/24/73/76/1067247376.db2.gz WYCGDXQUVHXZHQ-JOCHJYFZSA-N 0 0 459.995 4.854 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ncc(Br)cc23)c2ccccc21 ZINC001452739935 1067247658 /nfs/dbraw/zinc/24/76/58/1067247658.db2.gz ADHJGRVMUUKZFI-SJLPKXTDSA-N 0 0 456.340 4.626 20 0 JJADRN Cc1c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(=O)n(C2CCCCC2)n1C ZINC001452740697 1067247697 /nfs/dbraw/zinc/24/76/97/1067247697.db2.gz VCVNRXZILMTUJX-UHFFFAOYSA-N 0 0 457.962 4.665 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccc3ccn(C)c3c2)c1 ZINC001459086367 1067248300 /nfs/dbraw/zinc/24/83/00/1067248300.db2.gz OAMMTUBAMCNDPV-UHFFFAOYSA-N 0 0 450.516 4.597 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)C(=O)NC)C1 ZINC001546105915 1067248408 /nfs/dbraw/zinc/24/84/08/1067248408.db2.gz BXXQHFHJOPYBFD-UHFFFAOYSA-N 0 0 479.625 4.906 20 0 JJADRN O=C(Cn1cc(Br)cc(Cl)c1=O)NCCC(c1ccccc1)c1ccccc1 ZINC001459088830 1067248802 /nfs/dbraw/zinc/24/88/02/1067248802.db2.gz QSRGDBIKDMYKKK-UHFFFAOYSA-N 0 0 459.771 4.603 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001546043580 1067248935 /nfs/dbraw/zinc/24/89/35/1067248935.db2.gz XCOZUJBELWWVDR-NJYVYQBISA-N 0 0 493.693 4.543 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)C1 ZINC001546106013 1067249680 /nfs/dbraw/zinc/24/96/80/1067249680.db2.gz GKGWEWWWJXDDLA-UHFFFAOYSA-N 0 0 459.953 4.664 20 0 JJADRN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccc(Br)c(Cl)c1 ZINC001459094303 1067249722 /nfs/dbraw/zinc/24/97/22/1067249722.db2.gz OJKKEBACLPMRBW-UHFFFAOYSA-N 0 0 450.763 4.612 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001459097316 1067249734 /nfs/dbraw/zinc/24/97/34/1067249734.db2.gz KJYRIKOPBWZPET-ICSRJNTNSA-N 0 0 450.526 4.885 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)s1 ZINC001452768148 1067250127 /nfs/dbraw/zinc/25/01/27/1067250127.db2.gz HQSGSVSZYOAVRK-CEWLAPEOSA-N 0 0 454.636 4.879 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459099870 1067250217 /nfs/dbraw/zinc/25/02/17/1067250217.db2.gz QQZLKJZRJSPPIB-INIZCTEOSA-N 0 0 456.386 4.678 20 0 JJADRN FC(F)(F)c1cc(Br)ccc1-c1nnn(Cc2coc(-c3cccs3)n2)n1 ZINC001459100139 1067250225 /nfs/dbraw/zinc/25/02/25/1067250225.db2.gz ZPTBPJNWYPHBDF-UHFFFAOYSA-N 0 0 456.247 4.886 20 0 JJADRN CCCc1cccc(C(C)C)c1NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O ZINC001459099804 1067250277 /nfs/dbraw/zinc/25/02/77/1067250277.db2.gz PPTMZITWMLKYBV-UHFFFAOYSA-N 0 0 451.567 4.909 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1ccccc1OC(F)F ZINC001459102098 1067250747 /nfs/dbraw/zinc/25/07/47/1067250747.db2.gz SUCUIASVMPYSNI-UHFFFAOYSA-N 0 0 452.910 4.878 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC2(c3ccccc3Cl)CCC2)cc1 ZINC001452769180 1067250691 /nfs/dbraw/zinc/25/06/91/1067250691.db2.gz WGSJBYRWEXGZJU-UHFFFAOYSA-N 0 0 456.999 4.872 20 0 JJADRN Cc1cc(NC(=O)CCc2ccccc2N2CCOCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452777665 1067251336 /nfs/dbraw/zinc/25/13/36/1067251336.db2.gz RXBGZOJYGRWINC-UHFFFAOYSA-N 0 0 458.484 4.607 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nc(C(=O)OC)cs1 ZINC001459105602 1067251668 /nfs/dbraw/zinc/25/16/68/1067251668.db2.gz NGLSXXQWMFRASF-UHFFFAOYSA-N 0 0 456.339 4.907 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOC[C@@H]2C)C1 ZINC001546106352 1067252081 /nfs/dbraw/zinc/25/20/81/1067252081.db2.gz UCCUJHGGCMPTFA-KRWDZBQOSA-N 0 0 466.457 4.989 20 0 JJADRN Cc1c(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC001459108663 1067252187 /nfs/dbraw/zinc/25/21/87/1067252187.db2.gz CMFZLDOMWWFOAO-VWLOTQADSA-N 0 0 457.505 4.577 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452792035 1067252366 /nfs/dbraw/zinc/25/23/66/1067252366.db2.gz VFQBBVWHISIKGZ-RUZDIDTESA-N 0 0 453.970 4.684 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452793438 1067252383 /nfs/dbraw/zinc/25/23/83/1067252383.db2.gz YZLLDIFBDVMVBP-DEOSSOPVSA-N 0 0 458.389 4.979 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)O1 ZINC001546044395 1067252621 /nfs/dbraw/zinc/25/26/21/1067252621.db2.gz ALXZIMMQCNGGRR-TXNPELCJSA-N 0 0 460.594 4.768 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnn(C)c2C)O1 ZINC001546044664 1067252633 /nfs/dbraw/zinc/25/26/33/1067252633.db2.gz DUXUXCLBGRFLHY-KNOQFWTLSA-N 0 0 470.593 4.583 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2nccs2)O1 ZINC001546044366 1067252690 /nfs/dbraw/zinc/25/26/90/1067252690.db2.gz ADEVJHCIWCUSQR-CYFREDJKSA-N 0 0 468.627 4.588 20 0 JJADRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ncc(CO)n1Cc1cccc(F)c1 ZINC001459108641 1067252689 /nfs/dbraw/zinc/25/26/89/1067252689.db2.gz BWKXLVRBNOBDQS-MRXNPFEDSA-N 0 0 453.539 4.621 20 0 JJADRN O=C(COc1ccccc1C(F)(F)F)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459112285 1067253114 /nfs/dbraw/zinc/25/31/14/1067253114.db2.gz NCWOSXJMJDDPLU-HXUWFJFHSA-N 0 0 457.448 4.728 20 0 JJADRN O=S(=O)(Cc1nc(-c2cc(Br)cs2)no1)c1ccc(Cl)cc1Cl ZINC001459111086 1067253146 /nfs/dbraw/zinc/25/31/46/1067253146.db2.gz UJHLFWWCZXJMFL-UHFFFAOYSA-N 0 0 454.154 4.841 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)O1 ZINC001546044428 1067253262 /nfs/dbraw/zinc/25/32/62/1067253262.db2.gz BDULAMXCCGSATQ-OPAMFIHVSA-N 0 0 485.526 4.558 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(OCc3cccnc3)cc2)Cc2ccccc21 ZINC001452800333 1067253715 /nfs/dbraw/zinc/25/37/15/1067253715.db2.gz DZRLSLVCZRGSJW-JOCHJYFZSA-N 0 0 459.546 4.757 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCCCC2=O)C1 ZINC001546106436 1067253625 /nfs/dbraw/zinc/25/36/25/1067253625.db2.gz WNIVCWKZSSJSER-UHFFFAOYSA-N 0 0 483.657 4.772 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)Oc1cnc2ccc(Br)cc2c1 ZINC001459117631 1067253898 /nfs/dbraw/zinc/25/38/98/1067253898.db2.gz NZQCWHMTTNKAMN-UHFFFAOYSA-N 0 0 457.324 4.999 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)C2CCCCC2)O1 ZINC001546044721 1067254709 /nfs/dbraw/zinc/25/47/09/1067254709.db2.gz FQJJSRVTNCDXHE-NNPDTBDGSA-N 0 0 454.619 4.678 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1c[nH]c2cccc(Br)c12)c1ccccc1 ZINC001452814212 1067255150 /nfs/dbraw/zinc/25/51/50/1067255150.db2.gz DXSOPPGYPAJGPX-HSZRJFAPSA-N 0 0 457.368 4.960 20 0 JJADRN COC(=O)[C@](C)(NC(=O)Cc1cccc(C)c1Br)c1ccc(Cl)c(Cl)c1 ZINC001459121163 1067255478 /nfs/dbraw/zinc/25/54/78/1067255478.db2.gz KMYYCBZZXDICGP-LJQANCHMSA-N 0 0 459.167 4.811 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1F ZINC001452820860 1067255817 /nfs/dbraw/zinc/25/58/17/1067255817.db2.gz SNAGNLWIDLDTCC-QGHHPUGFSA-N 0 0 455.374 4.554 20 0 JJADRN CCOC(=O)c1cnc2ccccc2c1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001459124981 1067256080 /nfs/dbraw/zinc/25/60/80/1067256080.db2.gz IKFDBFDWXAADRR-RUZDIDTESA-N 0 0 454.526 4.891 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459125673 1067256435 /nfs/dbraw/zinc/25/64/35/1067256435.db2.gz RURMNADHNMKJPQ-NRFANRHFSA-N 0 0 455.396 4.646 20 0 JJADRN C[C@@H](C(=O)NCc1cc(Br)ccc1Br)[C@@H]1OCCc2sccc21 ZINC001459126542 1067256601 /nfs/dbraw/zinc/25/66/01/1067256601.db2.gz QHQZREPXPSXMLR-HWPZZCPQSA-N 0 0 459.203 4.839 20 0 JJADRN Cc1c2cccc(C)c2oc1CN(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC001452840354 1067257152 /nfs/dbraw/zinc/25/71/52/1067257152.db2.gz DEFBAZYEGKUCLY-KRWDZBQOSA-N 0 0 452.555 4.769 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1(c2ccccc2)CCCC1 ZINC001459128892 1067257529 /nfs/dbraw/zinc/25/75/29/1067257529.db2.gz UUZGHDZQKYFNEP-QZTJIDSGSA-N 0 0 455.396 4.819 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC001452858790 1067257608 /nfs/dbraw/zinc/25/76/08/1067257608.db2.gz KWIQUKYSXPTSTL-MRXNPFEDSA-N 0 0 458.521 4.841 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001452858662 1067257618 /nfs/dbraw/zinc/25/76/18/1067257618.db2.gz WBNPHDABRZWBNQ-UHFFFAOYSA-N 0 0 451.567 4.672 20 0 JJADRN O=C(c1cc(Br)cc2nc[nH]c21)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452859555 1067257693 /nfs/dbraw/zinc/25/76/93/1067257693.db2.gz DILXVIHNYMFSCZ-UHFFFAOYSA-N 0 0 454.155 4.595 20 0 JJADRN COc1ccc(S(C)(=O)=O)cc1COC(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001459131442 1067257959 /nfs/dbraw/zinc/25/79/59/1067257959.db2.gz ZMULTPVWMMSAFV-UHFFFAOYSA-N 0 0 451.500 4.572 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)c1ccc(NC(=O)C2CC2)s1 ZINC001459131374 1067257970 /nfs/dbraw/zinc/25/79/70/1067257970.db2.gz ZGOCYUJVVHJELG-UHFFFAOYSA-N 0 0 458.175 4.552 20 0 JJADRN Cc1ccc([C@H](NC(=O)Cn2nc(C(F)(F)F)cc2Br)c2cccs2)cc1 ZINC001459132297 1067257995 /nfs/dbraw/zinc/25/79/95/1067257995.db2.gz LTRRLJLCMMNMKA-KRWDZBQOSA-N 0 0 458.303 4.940 20 0 JJADRN CCOC(=O)C1=C(COc2ccc(Cl)c(F)c2F)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459131490 1067258035 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ROKNMFVTIREOJJ-INIZCTEOSA-N 0 0 457.573 4.534 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(OC)c(Cl)c1 ZINC001459141001 1067259583 /nfs/dbraw/zinc/25/95/83/1067259583.db2.gz OQNCEKGOTQZDPI-OAQYLSRUSA-N 0 0 458.942 4.512 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)O1 ZINC001546045376 1067259650 /nfs/dbraw/zinc/25/96/50/1067259650.db2.gz OFEZDXKSXAQLBO-LZCXECNNSA-N 0 0 456.631 4.998 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C)CC2)O1 ZINC001546045604 1067259657 /nfs/dbraw/zinc/25/96/57/1067259657.db2.gz QQHSJHFYBZKRGO-IOZGHAEBSA-N 0 0 474.049 4.836 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 ZINC001452893355 1067260023 /nfs/dbraw/zinc/26/00/23/1067260023.db2.gz BYMJSGVRDHLRHE-OAQYLSRUSA-N 0 0 452.551 4.740 20 0 JJADRN CC(=O)Nc1cc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)ccc1F ZINC001452893317 1067260111 /nfs/dbraw/zinc/26/01/11/1067260111.db2.gz BRUDAHMYKQOTJE-LJQANCHMSA-N 0 0 455.530 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CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CNC(=O)c4ccccc43)c2C(=O)OC(C)(C)C)C1 ZINC001459152793 1067262554 /nfs/dbraw/zinc/26/25/54/1067262554.db2.gz CCCZOKWICPKCOC-KSSFIOAISA-N 0 0 454.592 4.684 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2=O)ccc1Br ZINC001459157450 1067263148 /nfs/dbraw/zinc/26/31/48/1067263148.db2.gz ICIAEFAHPUNYBY-XUVXKRRUSA-N 0 0 455.396 4.638 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2=O)ccc1Br ZINC001459157438 1067263219 /nfs/dbraw/zinc/26/32/19/1067263219.db2.gz ICIAEFAHPUNYBY-AQNXPRMDSA-N 0 0 455.396 4.638 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001452908056 1067263497 /nfs/dbraw/zinc/26/34/97/1067263497.db2.gz RJSKJBLSWNGHBX-AOHZBQACSA-N 0 0 467.606 4.952 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)[C@@H]3CSCCS3)sc3c2CCC3)cc1Cl ZINC001459158010 1067263549 /nfs/dbraw/zinc/26/35/49/1067263549.db2.gz GUECQOSSYZQYHQ-INIZCTEOSA-N 0 0 454.038 4.917 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)CC(C)C ZINC001452918783 1067264067 /nfs/dbraw/zinc/26/40/67/1067264067.db2.gz LRIREHKRSDYMEK-SFHVURJKSA-N 0 0 459.587 4.939 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cc3ccccc3)ccc1O)C2 ZINC001452922730 1067264594 /nfs/dbraw/zinc/26/45/94/1067264594.db2.gz QVYPQCTUJJHWSG-IDISGSTGSA-N 0 0 450.579 4.750 20 0 JJADRN CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(Cl)c1F ZINC001459164957 1067264613 /nfs/dbraw/zinc/26/46/13/1067264613.db2.gz PJWIHZNHBYLXIX-HXUWFJFHSA-N 0 0 453.963 4.883 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)c3coc4c3C(=O)NCCC4)c2C(=O)OC(C)(C)C)C1 ZINC001459163736 1067264687 /nfs/dbraw/zinc/26/46/87/1067264687.db2.gz NUHGYLCSQYUONX-CYBMUJFWSA-N 0 0 458.580 4.740 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)Cc1ccccc1 ZINC001459163619 1067264700 /nfs/dbraw/zinc/26/47/00/1067264700.db2.gz QNHBOUKDLVHWIP-JOCHJYFZSA-N 0 0 452.982 4.825 20 0 JJADRN 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ZINC001452953610 1067267059 /nfs/dbraw/zinc/26/70/59/1067267059.db2.gz VRSMKPPFSAVQEE-UHFFFAOYSA-N 0 0 454.368 4.776 20 0 JJADRN CSc1nnc(CNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)s1 ZINC001459183502 1067267355 /nfs/dbraw/zinc/26/73/55/1067267355.db2.gz LFXOXPNTOMHBPZ-UHFFFAOYSA-N 0 0 450.014 4.611 20 0 JJADRN CC(C)c1nc(C(=O)NCc2ccc(Br)o2)nn1-c1c(Cl)cccc1Cl ZINC001459183403 1067267445 /nfs/dbraw/zinc/26/74/45/1067267445.db2.gz AOEYCDWSEVTSMF-UHFFFAOYSA-N 0 0 458.143 4.983 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3cccnc3N3CCCCC3)cc2)c(C)c1Br ZINC001459186613 1067268225 /nfs/dbraw/zinc/26/82/25/1067268225.db2.gz RXHVLDGYADGKIM-UHFFFAOYSA-N 0 0 454.372 4.889 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC001459186037 1067268248 /nfs/dbraw/zinc/26/82/48/1067268248.db2.gz CUIWQMSQQTVGMP-NRFANRHFSA-N 0 0 459.384 4.565 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC001459187899 1067268528 /nfs/dbraw/zinc/26/85/28/1067268528.db2.gz DGDNIAXWJYVVLU-IBGZPJMESA-N 0 0 452.364 4.900 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001459186921 1067268580 /nfs/dbraw/zinc/26/85/80/1067268580.db2.gz IQPBMTVMXFVEQY-HZPDHXFCSA-N 0 0 454.958 4.717 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)OC[C@H]3C)c2)cc1 ZINC001452963923 1067268644 /nfs/dbraw/zinc/26/86/44/1067268644.db2.gz VWYOTOSOZVYWHC-LJQANCHMSA-N 0 0 456.608 4.614 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCc1ccc(Br)o1 ZINC001459187415 1067268724 /nfs/dbraw/zinc/26/87/24/1067268724.db2.gz JMQVYDGVKZQMTJ-UHFFFAOYSA-N 0 0 459.724 4.981 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC001459194078 1067269511 /nfs/dbraw/zinc/26/95/11/1067269511.db2.gz LGRQDBVTYAUDDI-UHFFFAOYSA-N 0 0 451.354 4.780 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC001452972434 1067269540 /nfs/dbraw/zinc/26/95/40/1067269540.db2.gz AXENNJUGJYISAU-LRYHZEFKSA-N 0 0 462.590 4.623 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001452977435 1067269667 /nfs/dbraw/zinc/26/96/67/1067269667.db2.gz MTLIXALOAGAZGD-IRXDYDNUSA-N 0 0 455.418 4.547 20 0 JJADRN Cn1ncc(C(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)c1Cc1ccccc1 ZINC001459197096 1067269988 /nfs/dbraw/zinc/26/99/88/1067269988.db2.gz OVKRAPDUBOPOER-UHFFFAOYSA-N 0 0 455.230 4.891 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001452977791 1067270231 /nfs/dbraw/zinc/27/02/31/1067270231.db2.gz PBFMHJIZFUZNFV-UHFFFAOYSA-N 0 0 453.782 4.779 20 0 JJADRN Cc1ccc(C2=NN(C(=O)COc3cc(CO)cc(C(F)(F)F)c3)[C@@H](c3ccco3)C2)cc1 ZINC001459200045 1067270334 /nfs/dbraw/zinc/27/03/34/1067270334.db2.gz USSGYLUCTUQNMM-OAQYLSRUSA-N 0 0 458.436 4.856 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c(OC2CCCC2)c1 ZINC001459199398 1067270564 /nfs/dbraw/zinc/27/05/64/1067270564.db2.gz CQRYDGBUKRYKAU-LJQANCHMSA-N 0 0 459.608 4.697 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCCSC)C1 ZINC001546107156 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4.741 20 0 JJADRN Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001452996966 1067272859 /nfs/dbraw/zinc/27/28/59/1067272859.db2.gz ICSUSHJQJNIFSC-NOZJJQNGSA-N 0 0 453.711 4.755 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC001452998705 1067273309 /nfs/dbraw/zinc/27/33/09/1067273309.db2.gz WFVQNONEJIIPFR-CYBMUJFWSA-N 0 0 451.814 4.996 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001452998440 1067273337 /nfs/dbraw/zinc/27/33/37/1067273337.db2.gz NDCYTZOWCWIMAW-BRWVUGGUSA-N 0 0 457.279 4.733 20 0 JJADRN Cc1coc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc12 ZINC001459225155 1067273234 /nfs/dbraw/zinc/27/32/34/1067273234.db2.gz KZSUOOFVKCTCGV-UHFFFAOYSA-N 0 0 450.919 4.573 20 0 JJADRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2cccc(I)c2)cc1 ZINC001459228505 1067273688 /nfs/dbraw/zinc/27/36/88/1067273688.db2.gz QDSPUSNADVMMCL-UHFFFAOYSA-N 0 0 457.315 4.599 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c(O)c1)c1cc(F)cc(F)c1 ZINC001453009410 1067274344 /nfs/dbraw/zinc/27/43/44/1067274344.db2.gz LGEORDOKHQEZFW-QFIPXVFZSA-N 0 0 452.457 4.935 20 0 JJADRN Cc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nn1-c1ccccc1C(C)C ZINC001453022362 1067274556 /nfs/dbraw/zinc/27/45/56/1067274556.db2.gz JYTKOBHPANKFFT-UHFFFAOYSA-N 0 0 458.393 4.968 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 ZINC001459231663 1067274725 /nfs/dbraw/zinc/27/47/25/1067274725.db2.gz QKLZHQNVABZRFM-FUHWJXTLSA-N 0 0 454.958 4.666 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC001453027737 1067275070 /nfs/dbraw/zinc/27/50/70/1067275070.db2.gz DYKPYJOCBFUCNH-YEJXKQKISA-N 0 0 452.295 4.679 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)[C@@H]3C)c2)n1 ZINC001453027762 1067275124 /nfs/dbraw/zinc/27/51/24/1067275124.db2.gz FHWGVCGCFCAODP-HRAATJIYSA-N 0 0 467.367 4.893 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC001459236316 1067275771 /nfs/dbraw/zinc/27/57/71/1067275771.db2.gz JAZIFWOTDHSASM-OAQYLSRUSA-N 0 0 458.967 4.588 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NCCCCCc2ccc(F)cc2)c1I ZINC001459238991 1067276064 /nfs/dbraw/zinc/27/60/64/1067276064.db2.gz BWNVHMSVSRXXAK-UHFFFAOYSA-N 0 0 457.331 4.525 20 0 JJADRN COc1ccc(CSC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(OC)c1 ZINC001459240023 1067276252 /nfs/dbraw/zinc/27/62/52/1067276252.db2.gz HDWLNTQSOOBRLR-QHCPKHFHSA-N 0 0 457.617 4.965 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(F)c(F)cc2Br)cc1Br ZINC001459243279 1067276742 /nfs/dbraw/zinc/27/67/42/1067276742.db2.gz OFHNOXPCPPVNJB-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC001453073187 1067277076 /nfs/dbraw/zinc/27/70/76/1067277076.db2.gz HQJWZGFSYRENQF-DVECYGJZSA-N 0 0 451.007 4.585 20 0 JJADRN COc1ccc(-c2cc(CNC(=O)c3sc(COc4ccc(F)cc4)nc3C)on2)cc1 ZINC001453074435 1067277090 /nfs/dbraw/zinc/27/70/90/1067277090.db2.gz MXFHTZWKNRFJEH-UHFFFAOYSA-N 0 0 453.495 4.763 20 0 JJADRN Cc1cc(C)c(CC(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)c(C)c1Br ZINC001453074929 1067277136 /nfs/dbraw/zinc/27/71/36/1067277136.db2.gz OQKPAUPXMDZQTI-UHFFFAOYSA-N 0 0 453.421 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC001453073194 1067277178 /nfs/dbraw/zinc/27/71/78/1067277178.db2.gz HQJWZGFSYRENQF-NTKDMRAZSA-N 0 0 451.007 4.585 20 0 JJADRN Cc1c2cc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCC3)[nH]c2ccc1Br ZINC001453075122 1067277279 /nfs/dbraw/zinc/27/72/79/1067277279.db2.gz PVUBKHYNGHDBKF-UHFFFAOYSA-N 0 0 450.377 4.806 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC001453076616 1067277683 /nfs/dbraw/zinc/27/76/83/1067277683.db2.gz LZUZHNJIZISXDW-SFHVURJKSA-N 0 0 453.004 4.503 20 0 JJADRN COC(=O)c1ccc(Cl)cc1SCCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001459253381 1067277744 /nfs/dbraw/zinc/27/77/44/1067277744.db2.gz YLMLQIWKTLJOAA-UHFFFAOYSA-N 0 0 450.988 4.513 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)O1 ZINC001546047632 1067278153 /nfs/dbraw/zinc/27/81/53/1067278153.db2.gz BDZMNOSSPZTBKN-KOSHJBKYSA-N 0 0 473.980 4.996 20 0 JJADRN Cc1cc(Cn2cnc3c(cccc3C(F)(F)F)c2=O)c(C)cc1I ZINC001459254776 1067278342 /nfs/dbraw/zinc/27/83/42/1067278342.db2.gz RFHFIGURRDGBIC-UHFFFAOYSA-N 0 0 458.221 4.685 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3cc(Br)cc4nc(C)oc43)CC2=O)cc1 ZINC001459259525 1067278720 /nfs/dbraw/zinc/27/87/20/1067278720.db2.gz DTPIDQVSJLPLKE-OAHLLOKOSA-N 0 0 456.340 4.843 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCCNC(=O)c1ccc(Cl)cc1)CC2 ZINC001459258564 1067278734 /nfs/dbraw/zinc/27/87/34/1067278734.db2.gz ZGVIGSPFYBESKE-UHFFFAOYSA-N 0 0 457.958 4.786 20 0 JJADRN C[C@@H](SC1CCC(c2ccccc2)CC1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC001459259183 1067278779 /nfs/dbraw/zinc/27/87/79/1067278779.db2.gz MWWCZGNNUTVIQB-ZUOMXFFYSA-N 0 0 452.664 4.983 20 0 JJADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CS(=O)(=O)c1cccc(C)c1 ZINC001459259213 1067278900 /nfs/dbraw/zinc/27/89/00/1067278900.db2.gz HIUWGXADZBNNHK-UHFFFAOYSA-N 0 0 457.573 4.621 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)[nH]c(C)c1C(C)=O ZINC001453112105 1067279204 /nfs/dbraw/zinc/27/92/04/1067279204.db2.gz JZZIXFIQTRYSOW-NHCUHLMSSA-N 0 0 471.573 4.750 20 0 JJADRN Cc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)sc1Br ZINC001453110723 1067279239 /nfs/dbraw/zinc/27/92/39/1067279239.db2.gz IATTWSDGYROADY-HZPDHXFCSA-N 0 0 480.428 4.737 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC001453117751 1067279772 /nfs/dbraw/zinc/27/97/72/1067279772.db2.gz MCJWNDPGYBTIJQ-UGKGYDQZSA-N 0 0 480.565 4.510 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001453116798 1067279793 /nfs/dbraw/zinc/27/97/93/1067279793.db2.gz CVIOTMXOGIBABT-IFMALSPDSA-N 0 0 479.552 4.911 20 0 JJADRN Cc1cccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)c1 ZINC001459266382 1067279963 /nfs/dbraw/zinc/27/99/63/1067279963.db2.gz YXJKGTXHYFKEEA-UHFFFAOYSA-N 0 0 453.585 4.579 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC)c2OC)C1 ZINC001546107607 1067279976 /nfs/dbraw/zinc/27/99/76/1067279976.db2.gz RYGDNVXDXTVCCM-UHFFFAOYSA-N 0 0 453.587 4.558 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001459269227 1067280364 /nfs/dbraw/zinc/28/03/64/1067280364.db2.gz XZFGMWZPAWXVQY-UHFFFAOYSA-N 0 0 453.438 4.570 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@]1(C)Cc1ccccc1)C2=O ZINC001459270935 1067280485 /nfs/dbraw/zinc/28/04/85/1067280485.db2.gz ZEFVDTMORISIRL-HCQXFFPYSA-N 0 0 453.627 4.527 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCCCCCC(C)=O)cc1 ZINC001453122070 1067280848 /nfs/dbraw/zinc/28/08/48/1067280848.db2.gz PGGHRWVPLBBFRB-GOTSBHOMSA-N 0 0 460.615 4.834 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cnc3cccc(C)n32)cc1 ZINC001453121805 1067280858 /nfs/dbraw/zinc/28/08/58/1067280858.db2.gz XMKZZMDKGMZJAG-VXKWHMMOSA-N 0 0 478.593 4.564 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)OCc3ccc(OCC(F)(F)F)nc3)c2C(F)(F)F)c1 ZINC001459275768 1067281066 /nfs/dbraw/zinc/28/10/66/1067281066.db2.gz PJBHHRNVPKEXHY-UHFFFAOYSA-N 0 0 459.346 4.893 20 0 JJADRN CCOc1ccc(Br)c(C(=O)OCc2ccc(OCC(F)(F)F)nc2)c1F ZINC001459279052 1067282012 /nfs/dbraw/zinc/28/20/12/1067282012.db2.gz VTVNBVDCQCNBLT-UHFFFAOYSA-N 0 0 452.198 4.680 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@H](C)O1 ZINC001459283102 1067282503 /nfs/dbraw/zinc/28/25/03/1067282503.db2.gz WNOXAAIVVSDJFX-IYBDPMFKSA-N 0 0 456.999 4.644 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(Br)cc1)OC(C)C ZINC001459289700 1067283517 /nfs/dbraw/zinc/28/35/17/1067283517.db2.gz RGGYXLNRSUHMIY-FQEVSTJZSA-N 0 0 450.373 4.898 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)OC(C)C ZINC001459288459 1067283619 /nfs/dbraw/zinc/28/36/19/1067283619.db2.gz OYRAEMMCHDWGKZ-HSZRJFAPSA-N 0 0 455.505 4.544 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001453146451 1067283889 /nfs/dbraw/zinc/28/38/89/1067283889.db2.gz KKSOUWDIHVKWOJ-UHFFFAOYSA-N 0 0 455.580 4.556 20 0 JJADRN CC(C)OC[C@@H](OC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1cccc(F)c1 ZINC001459293643 1067284061 /nfs/dbraw/zinc/28/40/61/1067284061.db2.gz CNXSQQIUJHVWOD-GFCCVEGCSA-N 0 0 453.230 4.664 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(Cc2ccco2)C(C)C)O1 ZINC001546048000 1067284233 /nfs/dbraw/zinc/28/42/33/1067284233.db2.gz GVCBENJUPFGGFQ-SQJMNOBHSA-N 0 0 486.638 4.704 20 0 JJADRN Cc1c(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)cnn1-c1cccc(Br)c1 ZINC001459295270 1067284342 /nfs/dbraw/zinc/28/43/42/1067284342.db2.gz CUNNZMAJLOBLOX-OAHLLOKOSA-N 0 0 459.413 4.524 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)O[C@H](COC(C)C)c1cccc(F)c1 ZINC001459294457 1067284404 /nfs/dbraw/zinc/28/44/04/1067284404.db2.gz GSGZHVGIIQHOLM-JOCHJYFZSA-N 0 0 450.514 4.676 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001459294578 1067284496 /nfs/dbraw/zinc/28/44/96/1067284496.db2.gz KCKCXAKHFLZBHN-SOLBZPMBSA-N 0 0 453.421 4.874 20 0 JJADRN CC(C)(C(=O)NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001459296156 1067284905 /nfs/dbraw/zinc/28/49/05/1067284905.db2.gz GBMQHKCQYVNUGX-UHFFFAOYSA-N 0 0 450.379 4.558 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C1(C)C ZINC001453170466 1067285394 /nfs/dbraw/zinc/28/53/94/1067285394.db2.gz SVOUFWALPJWXEW-HKUYNNGSSA-N 0 0 459.587 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001453170839 1067285490 /nfs/dbraw/zinc/28/54/90/1067285490.db2.gz VQFJHVATHXPFDR-VWLOTQADSA-N 0 0 459.587 4.913 20 0 JJADRN Cn1cc(CCNC(=O)c2ccc(OC(F)(F)F)cc2Br)c2ccc(F)cc21 ZINC001459298636 1067285857 /nfs/dbraw/zinc/28/58/57/1067285857.db2.gz SXACSRCBFHCXAQ-UHFFFAOYSA-N 0 0 459.237 4.951 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nc(C(F)(F)F)n1 ZINC001459298359 1067285889 /nfs/dbraw/zinc/28/58/89/1067285889.db2.gz PZEOETNGNVLKPS-INIZCTEOSA-N 0 0 450.461 4.958 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Br)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001459298501 1067285998 /nfs/dbraw/zinc/28/59/98/1067285998.db2.gz JWAAISQBIBEDSG-AWEZNQCLSA-N 0 0 454.723 4.837 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546048201 1067286375 /nfs/dbraw/zinc/28/63/75/1067286375.db2.gz JGQTWIIJIYECAY-GBXCKJPGSA-N 0 0 457.022 4.933 20 0 JJADRN Cc1ccc([C@H]2CCC[C@@H]2OC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC001459299324 1067286460 /nfs/dbraw/zinc/28/64/60/1067286460.db2.gz VNSVABZSLDOYOL-RPWUZVMVSA-N 0 0 455.620 4.892 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCOC)Cc2ccco2)O1 ZINC001546048227 1067287102 /nfs/dbraw/zinc/28/71/02/1067287102.db2.gz JQOBBCMDWRAUIX-PGRDOPGGSA-N 0 0 492.418 4.629 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001453182997 1067287386 /nfs/dbraw/zinc/28/73/86/1067287386.db2.gz RTYNFXFNCIBQLK-HOYKHHGWSA-N 0 0 452.039 4.860 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001459301797 1067287435 /nfs/dbraw/zinc/28/74/35/1067287435.db2.gz AIOWLAVROZXKOU-AWEZNQCLSA-N 0 0 450.888 4.738 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCS[C@H](C)C2)O1 ZINC001546048280 1067287480 /nfs/dbraw/zinc/28/74/80/1067287480.db2.gz KKLMNFGDHKBZMH-WHSLLNHNSA-N 0 0 465.461 4.997 20 0 JJADRN CC(C)c1nc(C(=O)NCc2cccnc2N2CCCC2)nn1-c1c(Cl)cccc1Cl ZINC001453201220 1067287983 /nfs/dbraw/zinc/28/79/83/1067287983.db2.gz CFWYMUFPWWYNOZ-UHFFFAOYSA-N 0 0 459.381 4.623 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001459304420 1067288194 /nfs/dbraw/zinc/28/81/94/1067288194.db2.gz MTAVLJXZTBECRD-UHFFFAOYSA-N 0 0 450.341 4.904 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001459305419 1067288773 /nfs/dbraw/zinc/28/87/73/1067288773.db2.gz XZMNUEBSVCETQX-NRFANRHFSA-N 0 0 455.396 4.941 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001459306186 1067289168 /nfs/dbraw/zinc/28/91/68/1067289168.db2.gz XDHCNPVUICQDRL-MAUKXSAKSA-N 0 0 453.174 4.791 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1Br ZINC001459306165 1067289261 /nfs/dbraw/zinc/28/92/61/1067289261.db2.gz XCAUPQZNXRLHTL-UHFFFAOYSA-N 0 0 456.340 4.536 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546048643 1067290177 /nfs/dbraw/zinc/29/01/77/1067290177.db2.gz OOEPCJUZIINJCU-BYXVTNLJSA-N 0 0 456.631 4.943 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546048663 1067290187 /nfs/dbraw/zinc/29/01/87/1067290187.db2.gz ORMTYWFAGJNGOY-GAJHUEQPSA-N 0 0 480.556 4.554 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546048644 1067290227 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469.424 4.748 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@H](OC)C2)O1 ZINC001546049429 1067296352 /nfs/dbraw/zinc/29/63/52/1067296352.db2.gz ZNNITYIUXSGUPU-DRSNIGMVSA-N 0 0 481.410 4.810 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459332654 1067296565 /nfs/dbraw/zinc/29/65/65/1067296565.db2.gz IGPAGRRKGSOQFU-SFHVURJKSA-N 0 0 450.333 4.900 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)CC2 ZINC001459331953 1067297052 /nfs/dbraw/zinc/29/70/52/1067297052.db2.gz QTFINHNNQBNSKP-FCHUYYIVSA-N 0 0 455.396 4.867 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)C[C@H]3CCc4sccc4C3=O)nc21 ZINC001453324175 1067297352 /nfs/dbraw/zinc/29/73/52/1067297352.db2.gz CQEODHKXMAZTLM-SECBINFHSA-N 0 0 451.367 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)CC1 ZINC001453330966 1067298176 /nfs/dbraw/zinc/29/81/76/1067298176.db2.gz DPZGUHPFSUOQTN-QFIPXVFZSA-N 0 0 456.627 4.621 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001459339064 1067298305 /nfs/dbraw/zinc/29/83/05/1067298305.db2.gz QJKFWPAOGIHPCB-NSHDSACASA-N 0 0 451.283 4.727 20 0 JJADRN CCCN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H](C)c1ccccc1Br ZINC001459338274 1067298399 /nfs/dbraw/zinc/29/83/99/1067298399.db2.gz OURRPZVXSMALAP-INIZCTEOSA-N 0 0 458.400 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)c3cc4c(c(Cl)c3)OCO4)C2)CC1 ZINC001453335489 1067298500 /nfs/dbraw/zinc/29/85/00/1067298500.db2.gz JGOUCOGCPLBVCK-INIZCTEOSA-N 0 0 450.963 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3cc4c(c(Cl)c3)OCO4)C2)CC1 ZINC001453335506 1067298562 /nfs/dbraw/zinc/29/85/62/1067298562.db2.gz JGOUCOGCPLBVCK-MRXNPFEDSA-N 0 0 450.963 4.568 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001453333419 1067298663 /nfs/dbraw/zinc/29/86/63/1067298663.db2.gz KGIVWWBXELRUSF-WMZOPIPTSA-N 0 0 451.633 4.740 20 0 JJADRN Cc1noc(-c2ccc(C(=O)N3CCC[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)n1 ZINC001453339824 1067299111 /nfs/dbraw/zinc/29/91/11/1067299111.db2.gz OZHVQNDUGBONMK-NRFANRHFSA-N 0 0 454.571 4.544 20 0 JJADRN CCOc1ccc2cc(C(=O)NCc3cc(Cl)ccc3I)[nH]c2c1 ZINC001453345495 1067299986 /nfs/dbraw/zinc/29/99/86/1067299986.db2.gz JUOQVXZUWMAZKH-UHFFFAOYSA-N 0 0 454.695 4.755 20 0 JJADRN CCN(C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)[C@H](C)C(=O)OC(C)(C)C ZINC001453353039 1067300176 /nfs/dbraw/zinc/30/01/76/1067300176.db2.gz CZBCVWGKEDNAJL-CQSZACIVSA-N 0 0 452.477 4.740 20 0 JJADRN C[C@]12CCN(C(=O)CCOc3ccc(F)c(Cl)c3)C[C@H]1C2(Br)Br ZINC001453354259 1067300241 /nfs/dbraw/zinc/30/02/41/1067300241.db2.gz GXZTZEZQMIMILP-HIFRSBDPSA-N 0 0 469.576 4.603 20 0 JJADRN C[C@]12CCN(C(=O)CCc3cccc(Br)c3)C[C@H]1C2(Br)Br ZINC001453359366 1067300374 /nfs/dbraw/zinc/30/03/74/1067300374.db2.gz RCTZAGPMFODYLJ-HIFRSBDPSA-N 0 0 480.038 4.736 20 0 JJADRN O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC001459349753 1067300409 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SVAIMIKPXPIRPZ-KDOFPFPSSA-N 0 0 468.189 4.872 20 0 JJADRN COc1cccc(CN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 ZINC001459355757 1067302154 /nfs/dbraw/zinc/30/21/54/1067302154.db2.gz RBMQVGBRCXMHTC-OXQOHEQNSA-N 0 0 451.394 4.860 20 0 JJADRN COc1cccc(CN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355759 1067302226 /nfs/dbraw/zinc/30/22/26/1067302226.db2.gz RBMQVGBRCXMHTC-UZLBHIALSA-N 0 0 451.394 4.860 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC001453378982 1067302614 /nfs/dbraw/zinc/30/26/14/1067302614.db2.gz UIERGJIUXYISEC-UHFFFAOYSA-N 0 0 456.631 4.551 20 0 JJADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361018 1067302710 /nfs/dbraw/zinc/30/27/10/1067302710.db2.gz BWWIZKNWQMNEBH-RXVVDRJESA-N 0 0 456.656 4.718 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3OC)[nH]n2)cc1 ZINC001453394334 1067302888 /nfs/dbraw/zinc/30/28/88/1067302888.db2.gz BJBGHNHOHZHZAP-HXUWFJFHSA-N 0 0 456.340 4.834 20 0 JJADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001453392087 1067303002 /nfs/dbraw/zinc/30/30/02/1067303002.db2.gz APPJCRDFBFMCAI-YBEBCVOYSA-N 0 0 457.398 4.569 20 0 JJADRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361016 1067302934 /nfs/dbraw/zinc/30/29/34/1067302934.db2.gz BWWIZKNWQMNEBH-NQIIRXRSSA-N 0 0 456.656 4.718 20 0 JJADRN Cc1cccc(NC(=O)c2cc(I)c(F)cc2F)c1Br ZINC001459359196 1067302976 /nfs/dbraw/zinc/30/29/76/1067302976.db2.gz GDDWYTRVCVRQOC-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCN(C)[C@@H](C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395314 1067303343 /nfs/dbraw/zinc/30/33/43/1067303343.db2.gz GVERJWIKJPQOJY-DHIUTWEWSA-N 0 0 453.583 4.627 20 0 JJADRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001453398787 1067304037 /nfs/dbraw/zinc/30/40/37/1067304037.db2.gz RKJTUUBTECMMAS-NRFANRHFSA-N 0 0 455.603 4.758 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c1 ZINC001459367037 1067304473 /nfs/dbraw/zinc/30/44/73/1067304473.db2.gz INEWGKONDYDUHZ-UHFFFAOYSA-N 0 0 455.510 4.885 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)c1 ZINC001459367259 1067304746 /nfs/dbraw/zinc/30/47/46/1067304746.db2.gz OMOYGZDNSOAVDJ-IBGZPJMESA-N 0 0 453.564 4.881 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050699 1067305019 /nfs/dbraw/zinc/30/50/19/1067305019.db2.gz ANLHZODYNQTWRL-LZJCXSABSA-N 0 0 487.620 4.878 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001453408461 1067305033 /nfs/dbraw/zinc/30/50/33/1067305033.db2.gz QXSBHCVWKUMNCB-APAFKAMOSA-N 0 0 479.415 4.671 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCCc1cc(C)sc1C ZINC001459370641 1067305292 /nfs/dbraw/zinc/30/52/92/1067305292.db2.gz PSBOOIPFEUXGSA-UHFFFAOYSA-N 0 0 457.459 4.677 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001459370116 1067305246 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C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1cc(Br)ccc1F ZINC001459413735 1067317282 /nfs/dbraw/zinc/31/72/82/1067317282.db2.gz IMMVQWCHVHGVFW-ZETCQYMHSA-N 0 0 455.196 4.743 20 0 JJADRN Cc1ccc(CNC(=O)NCC(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001453601248 1067317340 /nfs/dbraw/zinc/31/73/40/1067317340.db2.gz JOSJWEQQNLVTQR-HSZRJFAPSA-N 0 0 453.995 4.683 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)c3c(F)ccc(SCC4CC4)c3F)CC2)s1 ZINC001453600711 1067317513 /nfs/dbraw/zinc/31/75/13/1067317513.db2.gz GVIRCVUDHCODCL-UHFFFAOYSA-N 0 0 452.548 4.730 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)O1 ZINC001546053399 1067317925 /nfs/dbraw/zinc/31/79/25/1067317925.db2.gz AGDNNELKZDHIDE-SNUWEPMUSA-N 0 0 481.685 4.514 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)O1 ZINC001546053415 1067318199 /nfs/dbraw/zinc/31/81/99/1067318199.db2.gz AJSUNVDIQGYJEG-GCJKJVERSA-N 0 0 463.395 4.845 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Cl)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453605279 1067318223 /nfs/dbraw/zinc/31/82/23/1067318223.db2.gz MGLDOPLUKYQLDU-GFCCVEGCSA-N 0 0 455.279 4.786 20 0 JJADRN C[C@@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cc(F)c(Br)cc1F ZINC001453605230 1067318349 /nfs/dbraw/zinc/31/83/49/1067318349.db2.gz MEMLYRTZEQQAKT-JDNHERCYSA-N 0 0 452.217 4.527 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001453604492 1067318362 /nfs/dbraw/zinc/31/83/62/1067318362.db2.gz ZVCPEUGZOLNPTK-KSSFIOAISA-N 0 0 451.489 4.639 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001453606997 1067318672 /nfs/dbraw/zinc/31/86/72/1067318672.db2.gz NZBXBJLCIKOPJY-FQEVSTJZSA-N 0 0 452.561 4.956 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCCc1cccc2c1OC(F)(F)O2)OCc1ccccc1 ZINC001453607311 1067318733 /nfs/dbraw/zinc/31/87/33/1067318733.db2.gz MXRJSWAIBFVLJJ-UHFFFAOYSA-N 0 0 454.429 4.729 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)O1 ZINC001546053469 1067319034 /nfs/dbraw/zinc/31/90/34/1067319034.db2.gz BATUGZVKLVLBQP-WIOPSUGQSA-N 0 0 470.017 4.780 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CCN1C(=O)OC(C)(C)C ZINC001453608823 1067319052 /nfs/dbraw/zinc/31/90/52/1067319052.db2.gz VLFXCIKREOJWSL-DLBZAZTESA-N 0 0 466.504 4.922 20 0 JJADRN CSc1ccc(CCCC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001453614760 1067319121 /nfs/dbraw/zinc/31/91/21/1067319121.db2.gz XAZGUIKODJZAGQ-IBGZPJMESA-N 0 0 456.574 4.771 20 0 JJADRN CN(C[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416712 1067319128 /nfs/dbraw/zinc/31/91/28/1067319128.db2.gz UWPXVUKAUXJWDC-JOCHJYFZSA-N 0 0 457.659 4.584 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@@H](C)C1 ZINC001459418250 1067319452 /nfs/dbraw/zinc/31/94/52/1067319452.db2.gz YKTKFTVWFZCCOH-NRFANRHFSA-N 0 0 451.611 4.725 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC001459418764 1067319569 /nfs/dbraw/zinc/31/95/69/1067319569.db2.gz MDNLIXGFARFCBS-HNNXBMFYSA-N 0 0 457.347 4.539 20 0 JJADRN CN(CCOCCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)OC(C)(C)C ZINC001453637167 1067319824 /nfs/dbraw/zinc/31/98/24/1067319824.db2.gz FLHDEFFRAAPJFM-UHFFFAOYSA-N 0 0 450.620 4.601 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC001453644357 1067320316 /nfs/dbraw/zinc/32/03/16/1067320316.db2.gz UBLJRQNTURAOIA-UHFFFAOYSA-N 0 0 450.960 4.520 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001453644332 1067320402 /nfs/dbraw/zinc/32/04/02/1067320402.db2.gz RPCYKFNRODALST-OAQYLSRUSA-N 0 0 452.555 4.981 20 0 JJADRN C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC001459420660 1067320597 /nfs/dbraw/zinc/32/05/97/1067320597.db2.gz UAFVKWVASIKDGT-GOTSBHOMSA-N 0 0 457.618 4.573 20 0 JJADRN C[C@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccc4)[C@H](NC(=O)C(F)(F)F)C3)cc2C1 ZINC001453669638 1067320865 /nfs/dbraw/zinc/32/08/65/1067320865.db2.gz AXRGJCMHGROCDL-BMGDILEWSA-N 0 0 450.526 4.550 20 0 JJADRN C[C@@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccc4)[C@H](NC(=O)C(F)(F)F)C3)cc2C1 ZINC001453669654 1067320946 /nfs/dbraw/zinc/32/09/46/1067320946.db2.gz AXRGJCMHGROCDL-ZTFGCOKTSA-N 0 0 450.526 4.550 20 0 JJADRN Cc1cc([C@H](CC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001459422461 1067320875 /nfs/dbraw/zinc/32/08/75/1067320875.db2.gz YPRVCNHHMZJJOP-BXWFABGCSA-N 0 0 454.011 4.709 20 0 JJADRN Cc1cc([C@H](CC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001459422469 1067321143 /nfs/dbraw/zinc/32/11/43/1067321143.db2.gz YPRVCNHHMZJJOP-MDZRGWNJSA-N 0 0 454.011 4.709 20 0 JJADRN CSCC[C@@H](CC(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001453673094 1067321119 /nfs/dbraw/zinc/32/11/19/1067321119.db2.gz FZUVFFBADGGDFF-ZAAXVRCTSA-N 0 0 457.036 4.665 20 0 JJADRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001453674723 1067321187 /nfs/dbraw/zinc/32/11/87/1067321187.db2.gz PIHWUEONOHGMCJ-CQSZACIVSA-N 0 0 450.402 4.908 20 0 JJADRN Cc1cc2cc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)oc2c(Br)c1 ZINC001459425010 1067322173 /nfs/dbraw/zinc/32/21/73/1067322173.db2.gz IKAOXJMQWMRRRC-OAQYLSRUSA-N 0 0 451.361 4.881 20 0 JJADRN C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C[C@@](C)(C(F)F)O1 ZINC001453686912 1067322218 /nfs/dbraw/zinc/32/22/18/1067322218.db2.gz AQMYBGUEEHAHCD-WLRWDXFRSA-N 0 0 459.262 4.660 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2COC(C)(C)OC2)O1 ZINC001546053899 1067322344 /nfs/dbraw/zinc/32/23/44/1067322344.db2.gz GUPKCIHPQFESEO-OFVILXPXSA-N 0 0 477.049 4.705 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001459425191 1067322594 /nfs/dbraw/zinc/32/25/94/1067322594.db2.gz JGGXCZBVXMCRSG-QHCPKHFHSA-N 0 0 451.995 4.702 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)Cc2ccccc2OC)O1 ZINC001546053907 1067322628 /nfs/dbraw/zinc/32/26/28/1067322628.db2.gz GXYZMHLYJJIVEZ-PCGJDWNTSA-N 0 0 463.626 4.688 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546053925 1067323076 /nfs/dbraw/zinc/32/30/76/1067323076.db2.gz HAPSJSIRSKJPMJ-WZONZLPQSA-N 0 0 497.453 4.725 20 0 JJADRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001459429150 1067323394 /nfs/dbraw/zinc/32/33/94/1067323394.db2.gz RSIWDEHEXOCOGT-IIBYNOLFSA-N 0 0 453.539 4.540 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 ZINC001459428962 1067323691 /nfs/dbraw/zinc/32/36/91/1067323691.db2.gz WMFZAZRSNHIQJQ-JOCHJYFZSA-N 0 0 455.521 4.683 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N(C)c3ccc(C(F)(F)F)cc3Cl)c(C)c12 ZINC001459427854 1067323578 /nfs/dbraw/zinc/32/35/78/1067323578.db2.gz QAGWSDXGCISMAR-UHFFFAOYSA-N 0 0 454.880 4.862 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001453706025 1067323960 /nfs/dbraw/zinc/32/39/60/1067323960.db2.gz KLVCVUJZEMVHGQ-IEBWSBKVSA-N 0 0 453.366 4.717 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cc2)C1 ZINC001546108884 1067324357 /nfs/dbraw/zinc/32/43/57/1067324357.db2.gz NCQWOJLARGSKKF-OAQYLSRUSA-N 0 0 487.620 4.790 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)c2C(F)(F)F)c1 ZINC001453722764 1067324840 /nfs/dbraw/zinc/32/48/40/1067324840.db2.gz ZADBTXOXXMQROC-INIZCTEOSA-N 0 0 458.267 4.970 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436393 1067324692 /nfs/dbraw/zinc/32/46/92/1067324692.db2.gz HQJCBVHNKCWYNG-WBVHZDCISA-N 0 0 458.624 4.826 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001453738250 1067325251 /nfs/dbraw/zinc/32/52/51/1067325251.db2.gz MEHSEFCVQJHFBI-AWEZNQCLSA-N 0 0 456.406 4.709 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001453738252 1067325366 /nfs/dbraw/zinc/32/53/66/1067325366.db2.gz MEHSEFCVQJHFBI-CQSZACIVSA-N 0 0 456.406 4.709 20 0 JJADRN COC(=O)c1ccc(F)c(CN(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 ZINC001459438952 1067325260 /nfs/dbraw/zinc/32/52/60/1067325260.db2.gz LKKIXTQDUWQZKG-UHFFFAOYSA-N 0 0 457.929 4.839 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)O1 ZINC001546054414 1067325503 /nfs/dbraw/zinc/32/55/03/1067325503.db2.gz NTCCCIBEYLJMJZ-OPAMFIHVSA-N 0 0 466.552 4.586 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cnn(-c2ccccc2)c1Br ZINC001459447948 1067325894 /nfs/dbraw/zinc/32/58/94/1067325894.db2.gz JQCXDRFSIKOKOY-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN CC/C(=C/C(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001453744911 1067326358 /nfs/dbraw/zinc/32/63/58/1067326358.db2.gz SBLUMCCUGDCCCZ-XOAGPTPASA-N 0 0 454.368 4.890 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001453743740 1067326463 /nfs/dbraw/zinc/32/64/63/1067326463.db2.gz FEBNODCIVFIGCF-QZTJIDSGSA-N 0 0 454.926 4.617 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N(CC)Cc1ccc(OC)cc1OC ZINC001459450312 1067326579 /nfs/dbraw/zinc/32/65/79/1067326579.db2.gz NJKRMESQVZPARL-FQEVSTJZSA-N 0 0 454.336 4.732 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)O1 ZINC001546054480 1067326807 /nfs/dbraw/zinc/32/68/07/1067326807.db2.gz OUGPGQOYCVMRRR-DHLKQENFSA-N 0 0 454.018 4.944 20 0 JJADRN Cc1cc(=O)[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)cc12 ZINC001453745949 1067326890 /nfs/dbraw/zinc/32/68/90/1067326890.db2.gz LKZPLCCIAXURTL-SBUREZEXSA-N 0 0 455.917 4.978 20 0 JJADRN CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455039 1067327481 /nfs/dbraw/zinc/32/74/81/1067327481.db2.gz OYOCKSJIQSJANG-MHZLTWQESA-N 0 0 450.554 4.913 20 0 JJADRN O=C1[C@H](N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455482 1067327691 /nfs/dbraw/zinc/32/76/91/1067327691.db2.gz LKPGLJOKVLKPKO-NHCUHLMSSA-N 0 0 452.904 4.910 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)O1 ZINC001546054743 1067328113 /nfs/dbraw/zinc/32/81/13/1067328113.db2.gz RVHYPUXBOWNCCC-XCBFCAQUSA-N 0 0 491.677 4.561 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1S(=O)(=O)NC1CCCC1 ZINC001453764948 1067328165 /nfs/dbraw/zinc/32/81/65/1067328165.db2.gz CHOAJFGQYZBJJH-UHFFFAOYSA-N 0 0 458.967 4.980 20 0 JJADRN CCCc1sc(C(=O)N2CCc3[nH]cnc3[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1CC ZINC001453768124 1067328377 /nfs/dbraw/zinc/32/83/77/1067328377.db2.gz CRWBKIYXJCNWFC-XMMPIXPASA-N 0 0 458.628 4.521 20 0 JJADRN NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC001453770782 1067328503 /nfs/dbraw/zinc/32/85/03/1067328503.db2.gz MTDUQXHURFTLOR-LJQANCHMSA-N 0 0 455.486 4.512 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546054762 1067328591 /nfs/dbraw/zinc/32/85/91/1067328591.db2.gz SAILWLLCMHNINK-OSWQYVSFSA-N 0 0 463.667 4.565 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001453778000 1067329438 /nfs/dbraw/zinc/32/94/38/1067329438.db2.gz CMRWSAVHDHUIHO-QFIPXVFZSA-N 0 0 450.004 4.649 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1n[nH]c2ccc(Br)cc21 ZINC001453777149 1067329456 /nfs/dbraw/zinc/32/94/56/1067329456.db2.gz XUIDAJRPTFLJDG-UHFFFAOYSA-N 0 0 450.218 4.987 20 0 JJADRN Cc1cccc(Cc2cnc(NC(=O)CN3CCC([C@@H](O)c4ccc(F)cc4)CC3)s2)c1 ZINC001459462053 1067329770 /nfs/dbraw/zinc/32/97/70/1067329770.db2.gz ANPXZPUZMPWXGN-DEOSSOPVSA-N 0 0 453.583 4.566 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1scc(Br)c1Br ZINC001453788077 1067329783 /nfs/dbraw/zinc/32/97/83/1067329783.db2.gz SNMCIBYMGISSGZ-OAHLLOKOSA-N 0 0 453.196 4.610 20 0 JJADRN Cc1cccc(Cc2cnc(NC(=O)CN3CCC([C@H](O)c4ccc(F)cc4)CC3)s2)c1 ZINC001459462069 1067329860 /nfs/dbraw/zinc/32/98/60/1067329860.db2.gz ANPXZPUZMPWXGN-XMMPIXPASA-N 0 0 453.583 4.566 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCC(=O)OC1CCCCC1 ZINC001459462168 1067329875 /nfs/dbraw/zinc/32/98/75/1067329875.db2.gz FWHOWVXGNHXIKM-UHFFFAOYSA-N 0 0 454.951 4.691 20 0 JJADRN C[C@]1(C(F)F)CN(C(=O)c2cccnc2SCc2cccc(Br)c2)CCO1 ZINC001453813605 1067330133 /nfs/dbraw/zinc/33/01/33/1067330133.db2.gz MKHKIMYUKIRCEV-LJQANCHMSA-N 0 0 457.340 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c3cccnc23)[C@@H](c2cccc(F)c2)C1 ZINC001459462327 1067330148 /nfs/dbraw/zinc/33/01/48/1067330148.db2.gz GAIQPKFYNDFQHD-OAQYLSRUSA-N 0 0 453.489 4.947 20 0 JJADRN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc3sc(Br)cc3s2)C1 ZINC001453799970 1067330159 /nfs/dbraw/zinc/33/01/59/1067330159.db2.gz BYSDOMLGHPSCGG-NSHDSACASA-N 0 0 450.383 4.611 20 0 JJADRN COc1nsc(CNC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1Br ZINC001453799234 1067330296 /nfs/dbraw/zinc/33/02/96/1067330296.db2.gz JFTDKQVRPRVBIB-UKTHLTGXSA-N 0 0 453.358 4.972 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCSC2)O1 ZINC001546055170 1067330311 /nfs/dbraw/zinc/33/03/11/1067330311.db2.gz XRXMVFCCKYVKIZ-OHUGHZGNSA-N 0 0 493.718 4.682 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC001453817739 1067330725 /nfs/dbraw/zinc/33/07/25/1067330725.db2.gz UZFYCCSYYRXJKI-CQSZACIVSA-N 0 0 459.333 4.843 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC001459464407 1067330970 /nfs/dbraw/zinc/33/09/70/1067330970.db2.gz JFDHCALAZJQRTI-UHFFFAOYSA-N 0 0 456.930 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3cccc(OCc4cccnc4)c3)C2)C1 ZINC001459466249 1067331333 /nfs/dbraw/zinc/33/13/33/1067331333.db2.gz IBNAZSSKJREDKX-AREMUKBSSA-N 0 0 451.567 4.524 20 0 JJADRN CC(C)(CCN1CCOCC1)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001453826061 1067331328 /nfs/dbraw/zinc/33/13/28/1067331328.db2.gz FBUVQFSDIDQHOP-UHFFFAOYSA-N 0 0 455.649 4.698 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546055278 1067331351 /nfs/dbraw/zinc/33/13/51/1067331351.db2.gz YVONSQRZEIGJHL-PXDATVDWSA-N 0 0 471.552 4.849 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)O1 ZINC001546055336 1067331817 /nfs/dbraw/zinc/33/18/17/1067331817.db2.gz ZQCNHHJWKJNYHS-FTBPSBKWSA-N 0 0 461.050 4.662 20 0 JJADRN CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001459466621 1067331858 /nfs/dbraw/zinc/33/18/58/1067331858.db2.gz LGSQSLQRPCFHOZ-VWNXMTODSA-N 0 0 451.586 4.524 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCC[C@](C)(c3ccccc3)C2)cc1 ZINC001459466822 1067331905 /nfs/dbraw/zinc/33/19/05/1067331905.db2.gz NEWKHFRDVGRZBS-LJAQVGFWSA-N 0 0 455.602 4.917 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)O1 ZINC001546055337 1067332071 /nfs/dbraw/zinc/33/20/71/1067332071.db2.gz ZQCNHHJWKJNYHS-GPUOULLFSA-N 0 0 461.050 4.662 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2OC(C)(C)CC3)c1 ZINC001453842238 1067332232 /nfs/dbraw/zinc/33/22/32/1067332232.db2.gz UPLZWGPLACFLOS-UHFFFAOYSA-N 0 0 450.988 4.773 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001453860047 1067332393 /nfs/dbraw/zinc/33/23/93/1067332393.db2.gz FQGVSOSAOHMVFQ-QGZVFWFLSA-N 0 0 451.514 4.801 20 0 JJADRN O=C(CN1CCO[C@H](c2ccccc2Cl)C1)NCc1ccccc1COc1ccccc1 ZINC001459469746 1067332748 /nfs/dbraw/zinc/33/27/48/1067332748.db2.gz YSYNCNVPXWSLKC-VWLOTQADSA-N 0 0 450.966 4.609 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ncc(-c2ccccc2F)s1 ZINC001459473934 1067334371 /nfs/dbraw/zinc/33/43/71/1067334371.db2.gz JHYMLFDYJFSXKK-UHFFFAOYSA-N 0 0 456.499 4.978 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3(CC(C)C)CC3)c2)cc1 ZINC001453889049 1067334436 /nfs/dbraw/zinc/33/44/36/1067334436.db2.gz KQFJYXCHAKMDOB-UHFFFAOYSA-N 0 0 450.988 4.848 20 0 JJADRN O=C(c1nc2ccc(Br)cn2c1F)N1CC[C@@H]1c1ccc(Br)cc1 ZINC001453926592 1067335364 /nfs/dbraw/zinc/33/53/64/1067335364.db2.gz AOJZWIJYCCTWGU-CYBMUJFWSA-N 0 0 453.109 4.586 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC001459485408 1067336720 /nfs/dbraw/zinc/33/67/20/1067336720.db2.gz LZAOYWGYSLVHFE-MSOLQXFVSA-N 0 0 456.537 4.667 20 0 JJADRN COc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)cc1Br ZINC001459490536 1067337466 /nfs/dbraw/zinc/33/74/66/1067337466.db2.gz YMPAYWSMWUTELP-UHFFFAOYSA-N 0 0 454.040 4.886 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC001459493413 1067337821 /nfs/dbraw/zinc/33/78/21/1067337821.db2.gz WQPMHDSJEOUNFU-PXNSSMCTSA-N 0 0 459.974 4.631 20 0 JJADRN C[C@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459492934 1067338005 /nfs/dbraw/zinc/33/80/05/1067338005.db2.gz VMQKELWLGGWRPX-GJZGRUSLSA-N 0 0 450.377 4.934 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493296 1067338076 /nfs/dbraw/zinc/33/80/76/1067338076.db2.gz UYYJZWWKNTVKRX-DEOSSOPVSA-N 0 0 452.501 4.660 20 0 JJADRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496217 1067339197 /nfs/dbraw/zinc/33/91/97/1067339197.db2.gz ZSJBZPIOGFZYEX-SUMWQHHRSA-N 0 0 455.864 4.842 20 0 JJADRN C[C@H](C(=O)Nc1cccc(F)c1)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501146 1067339416 /nfs/dbraw/zinc/33/94/16/1067339416.db2.gz GUWOFVOBCNQMIH-MRXNPFEDSA-N 0 0 450.489 4.994 20 0 JJADRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001459501722 1067339490 /nfs/dbraw/zinc/33/94/90/1067339490.db2.gz JAVUNDDMFHLEMD-OAHLLOKOSA-N 0 0 452.502 4.575 20 0 JJADRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459505797 1067340005 /nfs/dbraw/zinc/34/00/05/1067340005.db2.gz XDPLLLUGFXSDRN-OAHLLOKOSA-N 0 0 452.502 4.618 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cccc2c1NC(=O)CO2 ZINC001459506519 1067340562 /nfs/dbraw/zinc/34/05/62/1067340562.db2.gz XDPDHEBICOGOPC-UHFFFAOYSA-N 0 0 457.741 4.909 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(Cl)c3ccncc23)C1 ZINC001459511763 1067341999 /nfs/dbraw/zinc/34/19/99/1067341999.db2.gz JAQYTFGYNIGESP-XDHUDOTRSA-N 0 0 453.926 4.643 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CCc4ccccc4[C@]3(C)C(F)(F)F)no2)c1 ZINC001459511767 1067342063 /nfs/dbraw/zinc/34/20/63/1067342063.db2.gz JCNCJRWDMLMCLK-HSZRJFAPSA-N 0 0 458.436 4.932 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2ccccc2SCc2nc(C)no2)c(OC)c1 ZINC001459512802 1067342098 /nfs/dbraw/zinc/34/20/98/1067342098.db2.gz WFZGNFAOMGJOJE-UHFFFAOYSA-N 0 0 453.564 4.740 20 0 JJADRN O=C(NC1(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC1)OCc1ccccc1 ZINC001459513938 1067342526 /nfs/dbraw/zinc/34/25/26/1067342526.db2.gz NHQOIDLEQYQNAJ-UHFFFAOYSA-N 0 0 457.368 4.614 20 0 JJADRN CC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459518128 1067343080 /nfs/dbraw/zinc/34/30/80/1067343080.db2.gz VCTKWSGVVAHZRV-XMMPIXPASA-N 0 0 452.551 4.606 20 0 JJADRN CCc1nc2cc(CNC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)ccc2n1C1CC1 ZINC001459518640 1067343211 /nfs/dbraw/zinc/34/32/11/1067343211.db2.gz KTGNIWLANISVEV-JOCHJYFZSA-N 0 0 454.615 4.976 20 0 JJADRN CC[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC001459521177 1067343414 /nfs/dbraw/zinc/34/34/14/1067343414.db2.gz YRPDAVMLMRGCHD-PGRDOPGGSA-N 0 0 453.583 4.982 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001459521603 1067343846 /nfs/dbraw/zinc/34/38/46/1067343846.db2.gz CJMMRDNCMGRFTE-UONOGXRCSA-N 0 0 477.676 4.966 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Nc3cc(OC)c(OC)c(C)c3OC)CC2(Cl)Cl)cc1 ZINC001459521437 1067343932 /nfs/dbraw/zinc/34/39/32/1067343932.db2.gz PCCNJONKMOHXHA-NRFANRHFSA-N 0 0 454.350 4.874 20 0 JJADRN COc1cccc(CN(Cc2nc(COc3cc(C)cc(C)c3)no2)C2CCC(O)CC2)c1 ZINC001459524536 1067344635 /nfs/dbraw/zinc/34/46/35/1067344635.db2.gz HSKBUEYHLHHIPD-UHFFFAOYSA-N 0 0 451.567 4.580 20 0 JJADRN O=C(NCc1ccncc1OCC(F)(F)F)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001459525003 1067344796 /nfs/dbraw/zinc/34/47/96/1067344796.db2.gz FRPRHAYOAGUSBF-UHFFFAOYSA-N 0 0 452.436 4.805 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccncc1OCC(F)(F)F ZINC001459527262 1067344942 /nfs/dbraw/zinc/34/49/42/1067344942.db2.gz IPZCBBVDDHZCCU-DLBZAZTESA-N 0 0 459.509 4.503 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c21 ZINC001459527525 1067345085 /nfs/dbraw/zinc/34/50/85/1067345085.db2.gz OEDYKSUGBJLGLM-GOSISDBHSA-N 0 0 456.587 4.989 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)cs1 ZINC001459526643 1067345183 /nfs/dbraw/zinc/34/51/83/1067345183.db2.gz PPSFZDKHIPAASF-FQEVSTJZSA-N 0 0 455.502 4.644 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2ccc(Br)c3cccnc23)c1 ZINC001459529256 1067345916 /nfs/dbraw/zinc/34/59/16/1067345916.db2.gz UAOAKESGMOLPAQ-UHFFFAOYSA-N 0 0 450.130 4.950 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001459529494 1067345974 /nfs/dbraw/zinc/34/59/74/1067345974.db2.gz RZBVQHXDNFCWFY-UHFFFAOYSA-N 0 0 459.413 4.563 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)c2cccc(CSc3ccc(C)cc3C)c2)O1 ZINC001459531764 1067346385 /nfs/dbraw/zinc/34/63/85/1067346385.db2.gz YTCBGYOZFVJUAR-AWDZXFJFSA-N 0 0 453.604 4.919 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(Br)c2cccnc12)NC(C)=O ZINC001459532762 1067346526 /nfs/dbraw/zinc/34/65/26/1067346526.db2.gz ZCUMAGBXQDQKCY-IBGZPJMESA-N 0 0 456.340 4.602 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](CO)c1c(F)cccc1F ZINC001546109703 1067348128 /nfs/dbraw/zinc/34/81/28/1067348128.db2.gz ISNBMOGLFUJDGP-MRXNPFEDSA-N 0 0 450.894 4.704 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001459547451 1067348874 /nfs/dbraw/zinc/34/88/74/1067348874.db2.gz HLEUFMBQSHHHNG-QGCDCVKKSA-N 0 0 457.442 4.936 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1oc(C2CC2)nc1C(F)F ZINC001459552972 1067349454 /nfs/dbraw/zinc/34/94/54/1067349454.db2.gz YUUFLQWDWWVKGS-UHFFFAOYSA-N 0 0 452.626 4.678 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)Cc1nccn1Cc1ccccc1 ZINC001459555062 1067350117 /nfs/dbraw/zinc/35/01/17/1067350117.db2.gz LBMURWXJTCQIHD-QFIPXVFZSA-N 0 0 454.574 4.969 20 0 JJADRN CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2s1 ZINC001459556324 1067350160 /nfs/dbraw/zinc/35/01/60/1067350160.db2.gz OIACXYJOXFNYBA-HNNXBMFYSA-N 0 0 452.388 4.781 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(F)cc1F ZINC001459555181 1067350287 /nfs/dbraw/zinc/35/02/87/1067350287.db2.gz KQOILDMHNHOWJR-AEFFLSMTSA-N 0 0 452.782 4.744 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1=O ZINC001459559159 1067351307 /nfs/dbraw/zinc/35/13/07/1067351307.db2.gz WUKLZZVDRCTINL-ORAYPTAESA-N 0 0 458.839 4.569 20 0 JJADRN C[C@H]1CCN(c2cc(C(=O)N3CCC(F)(c4ccccc4OC(F)(F)F)CC3)ccn2)C1 ZINC001459559915 1067351397 /nfs/dbraw/zinc/35/13/97/1067351397.db2.gz ZMMWBJVBQJLXTL-INIZCTEOSA-N 0 0 451.464 4.927 20 0 JJADRN CCOC(=O)C1=C(CN2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563731 1067352177 /nfs/dbraw/zinc/35/21/77/1067352177.db2.gz NCEHQRXYVHYQGU-WQFQCULDSA-N 0 0 457.958 4.577 20 0 JJADRN O=C(CN1CCSC[C@@H]1c1ccc(Cl)cc1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459566049 1067353314 /nfs/dbraw/zinc/35/33/14/1067353314.db2.gz NSSYDKDQTHGPGI-LJQANCHMSA-N 0 0 458.933 4.644 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC001459567795 1067354052 /nfs/dbraw/zinc/35/40/52/1067354052.db2.gz FRIZEZOCYGNDER-JOCHJYFZSA-N 0 0 452.382 4.598 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC001459567449 1067354062 /nfs/dbraw/zinc/35/40/62/1067354062.db2.gz FGCXLXHREFUFID-UHFFFAOYSA-N 0 0 450.560 4.903 20 0 JJADRN CCN(C(=O)c1cc(Br)cc(I)c1C)c1ncccc1C ZINC001459573391 1067355342 /nfs/dbraw/zinc/35/53/42/1067355342.db2.gz SIOUZLKOUGGOHX-UHFFFAOYSA-N 0 0 459.125 4.732 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(OC)c(Br)n1 ZINC001459578365 1067355896 /nfs/dbraw/zinc/35/58/96/1067355896.db2.gz OLVTZPNDVSFNQA-LBPRGKRZSA-N 0 0 454.162 4.592 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3F)C2)s1 ZINC001459583507 1067357144 /nfs/dbraw/zinc/35/71/44/1067357144.db2.gz GDSYEEOZKUOLPB-NSHDSACASA-N 0 0 451.372 4.542 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)ccc1Cl ZINC001459588502 1067358410 /nfs/dbraw/zinc/35/84/10/1067358410.db2.gz YCMZYRBKQMQHDP-PZJWPPBQSA-N 0 0 456.995 4.856 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(Br)cc3Cl)CC2)cs1 ZINC001459591806 1067359005 /nfs/dbraw/zinc/35/90/05/1067359005.db2.gz IXHQZDIOVHZBLW-CQSZACIVSA-N 0 0 458.853 4.974 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)cc2)c(C)c1Cl ZINC001459599480 1067360291 /nfs/dbraw/zinc/36/02/91/1067360291.db2.gz RZLJQMAEYNATOE-UHFFFAOYSA-N 0 0 459.377 4.563 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC001459603468 1067360786 /nfs/dbraw/zinc/36/07/86/1067360786.db2.gz CVJZMBYIFAPELH-WOJBJXKFSA-N 0 0 452.624 4.902 20 0 JJADRN C[C@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607296 1067361715 /nfs/dbraw/zinc/36/17/15/1067361715.db2.gz HZPPHOQPSZQQQQ-HNAYVOBHSA-N 0 0 458.430 4.577 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001546110505 1067363568 /nfs/dbraw/zinc/36/35/68/1067363568.db2.gz BXAKQNQMOAIENH-UHFFFAOYSA-N 0 0 480.657 4.848 20 0 JJADRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1OCc1ccccc1 ZINC001459614302 1067364642 /nfs/dbraw/zinc/36/46/42/1067364642.db2.gz BBGUSLXBKDAVGP-FXAWDEMLSA-N 0 0 457.448 4.986 20 0 JJADRN COc1ccc(CCC(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1OC ZINC001459616476 1067365185 /nfs/dbraw/zinc/36/51/85/1067365185.db2.gz MQNGJZINCVANGV-MRXNPFEDSA-N 0 0 459.539 4.836 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@@H](O)c1ccco1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459617463 1067365382 /nfs/dbraw/zinc/36/53/82/1067365382.db2.gz BSLYTPRYCVKQFI-RUZDIDTESA-N 0 0 454.526 4.685 20 0 JJADRN CN(CC(=O)NCCN1CCc2ccccc21)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619623 1067365902 /nfs/dbraw/zinc/36/59/02/1067365902.db2.gz FQKCDMGTUKAQSJ-AREMUKBSSA-N 0 0 451.973 4.679 20 0 JJADRN CO[C@H](CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621793 1067366329 /nfs/dbraw/zinc/36/63/29/1067366329.db2.gz JSRAOVBSKDHAKB-HTAPYJJXSA-N 0 0 451.394 4.601 20 0 JJADRN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001459622861 1067366866 /nfs/dbraw/zinc/36/68/66/1067366866.db2.gz SKARBJYEGRFCGG-UHFFFAOYSA-N 0 0 453.414 4.526 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3cc4ccccc4[nH]3)cc2)cc1 ZINC001459625867 1067367183 /nfs/dbraw/zinc/36/71/83/1067367183.db2.gz YQLLIZYDUJIJRZ-UHFFFAOYSA-N 0 0 456.546 4.889 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001546110601 1067367756 /nfs/dbraw/zinc/36/77/56/1067367756.db2.gz FKFVDPATUVLKNM-RUZDIDTESA-N 0 0 452.599 4.589 20 0 JJADRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC001459629852 1067368176 /nfs/dbraw/zinc/36/81/76/1067368176.db2.gz DVGHXFUJAZBSPO-QHCPKHFHSA-N 0 0 457.574 4.725 20 0 JJADRN Cc1nc(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)sc1Cc1ccc(Cl)cc1F ZINC001459635239 1067369359 /nfs/dbraw/zinc/36/93/59/1067369359.db2.gz BHTRVAUBZMNMFT-UHFFFAOYSA-N 0 0 458.946 4.925 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC001459636774 1067369606 /nfs/dbraw/zinc/36/96/06/1067369606.db2.gz WNRNVNJMILNCBM-NRFANRHFSA-N 0 0 456.995 4.859 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)sc1Cc1ccc(F)cc1F ZINC001459640522 1067370236 /nfs/dbraw/zinc/37/02/36/1067370236.db2.gz WOIVNTXOUNGRHJ-XJKSGUPXSA-N 0 0 451.539 4.905 20 0 JJADRN CCCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)[C@H](C)C(=O)OCC ZINC001459641914 1067370819 /nfs/dbraw/zinc/37/08/19/1067370819.db2.gz DBYQJSCEKBDINM-OAHLLOKOSA-N 0 0 451.361 4.535 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2c(F)ccc(C)c2Br)CC1=O ZINC001459646778 1067370967 /nfs/dbraw/zinc/37/09/67/1067370967.db2.gz CEYWZYAPXLXLFX-NSHDSACASA-N 0 0 455.711 4.550 20 0 JJADRN CN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1nc(C(F)(F)F)cs1 ZINC001459652092 1067372165 /nfs/dbraw/zinc/37/21/65/1067372165.db2.gz KJOHFLJFLSINHV-OAQYLSRUSA-N 0 0 451.489 4.981 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)CN3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC001459651935 1067372289 /nfs/dbraw/zinc/37/22/89/1067372289.db2.gz LJLCBTIWVIGTAA-UHFFFAOYSA-N 0 0 454.058 4.637 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCOc2cccc(Cl)c2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC001459656395 1067372894 /nfs/dbraw/zinc/37/28/94/1067372894.db2.gz NSFZUECBHRGDTR-YCRPNKLZSA-N 0 0 458.407 4.751 20 0 JJADRN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001459658042 1067373620 /nfs/dbraw/zinc/37/36/20/1067373620.db2.gz WXXWYCLYQNNIST-SFHVURJKSA-N 0 0 459.421 4.605 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459660401 1067374190 /nfs/dbraw/zinc/37/41/90/1067374190.db2.gz CFHQKHJPIHGADB-UHFFFAOYSA-N 0 0 459.424 4.513 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)CCC2)cc1C ZINC001459661698 1067374670 /nfs/dbraw/zinc/37/46/70/1067374670.db2.gz FLCYZRUUACDHQE-IBGZPJMESA-N 0 0 454.636 4.576 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001546110908 1067375717 /nfs/dbraw/zinc/37/57/17/1067375717.db2.gz RUHVJOOMDJJJBO-UHFFFAOYSA-N 0 0 451.659 4.871 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC001459664069 1067375911 /nfs/dbraw/zinc/37/59/11/1067375911.db2.gz NZXSKAUQNNRVMT-UHFFFAOYSA-N 0 0 457.676 4.714 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001459666685 1067376816 /nfs/dbraw/zinc/37/68/16/1067376816.db2.gz SWUOJPJJCVUPMV-OAQYLSRUSA-N 0 0 451.571 4.944 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC001459668343 1067377697 /nfs/dbraw/zinc/37/76/97/1067377697.db2.gz CDHZHUWXVVKKLX-SFHVURJKSA-N 0 0 451.311 4.655 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001459669050 1067377921 /nfs/dbraw/zinc/37/79/21/1067377921.db2.gz CQIAZJGLQSTSBE-PMACEKPBSA-N 0 0 458.436 4.695 20 0 JJADRN CC[C@](C)(NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1nccs1 ZINC001459668887 1067378015 /nfs/dbraw/zinc/37/80/15/1067378015.db2.gz DXCACNDTBOZYPR-SANMLTNESA-N 0 0 459.619 4.586 20 0 JJADRN C[C@H]1CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459671680 1067378995 /nfs/dbraw/zinc/37/89/95/1067378995.db2.gz MORDIYQBZULHHN-MAUKXSAKSA-N 0 0 454.596 4.799 20 0 JJADRN O=C(CN[C@@H](Cn1cccn1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459672152 1067379169 /nfs/dbraw/zinc/37/91/69/1067379169.db2.gz XMIOURRJJHAQHT-SFHVURJKSA-N 0 0 456.390 4.890 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCC(F)(F)C1)Nc1cccc(C(F)(F)F)c1 ZINC001459672390 1067379501 /nfs/dbraw/zinc/37/95/01/1067379501.db2.gz NISQPMIGCFHJKQ-CQSZACIVSA-N 0 0 456.411 4.888 20 0 JJADRN NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001459675140 1067380223 /nfs/dbraw/zinc/38/02/23/1067380223.db2.gz CFZKDFWPMVSKRZ-HSZRJFAPSA-N 0 0 459.373 4.593 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)o1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459676676 1067380883 /nfs/dbraw/zinc/38/08/83/1067380883.db2.gz FMZYHZZECNHXFI-FQEVSTJZSA-N 0 0 453.336 4.563 20 0 JJADRN CCc1nc2ccc(C(=O)Nc3cc(-c4ccc(Br)o4)ncn3)cc2nc1CC ZINC001459681423 1067382203 /nfs/dbraw/zinc/38/22/03/1067382203.db2.gz UJAYPYCWBXULKG-UHFFFAOYSA-N 0 0 452.312 4.819 20 0 JJADRN O=C(Cc1ccc(Br)cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001459682505 1067382224 /nfs/dbraw/zinc/38/22/24/1067382224.db2.gz PWMPKWBIHWTJOC-UHFFFAOYSA-N 0 0 458.274 4.712 20 0 JJADRN CSc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC001459686904 1067383412 /nfs/dbraw/zinc/38/34/12/1067383412.db2.gz GXEFUHISFWATGI-UHFFFAOYSA-N 0 0 454.617 4.515 20 0 JJADRN O=C(NC[C@@H]1CCCCN1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689834 1067384464 /nfs/dbraw/zinc/38/44/64/1067384464.db2.gz CZOVHJGJOIADIT-YRVHBCJASA-N 0 0 454.423 4.777 20 0 JJADRN CCCN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@H](C)C(=O)Nc1ccccc1C ZINC001459688884 1067384486 /nfs/dbraw/zinc/38/44/86/1067384486.db2.gz CQKKGMVNKWJSCY-MRXNPFEDSA-N 0 0 457.368 4.799 20 0 JJADRN CCCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1CC)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459688886 1067384682 /nfs/dbraw/zinc/38/46/82/1067384682.db2.gz CSPBVTSICNRAKS-KRWDZBQOSA-N 0 0 453.974 4.671 20 0 JJADRN COc1cc(N[C@H]2CCCN(CC(=O)Nc3ccccc3Cc3ccccc3)C2)cc(OC)c1 ZINC001459690911 1067385185 /nfs/dbraw/zinc/38/51/85/1067385185.db2.gz BMPFMVGZYXKVOT-QHCPKHFHSA-N 0 0 459.590 4.810 20 0 JJADRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)Cc2cccs2)cc1 ZINC001459691179 1067385449 /nfs/dbraw/zinc/38/54/49/1067385449.db2.gz RMEJKAFPOZMJSP-UHFFFAOYSA-N 0 0 450.532 4.698 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2Br)C2CCCC2)c1 ZINC001459693738 1067386044 /nfs/dbraw/zinc/38/60/44/1067386044.db2.gz KKBNXLICVHDHDG-UHFFFAOYSA-N 0 0 451.430 4.644 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1=O ZINC001459695305 1067386498 /nfs/dbraw/zinc/38/64/98/1067386498.db2.gz YDUVQBCGFCGPFD-XCBAANBCSA-N 0 0 455.396 4.988 20 0 JJADRN CC(C)CN(CCCCc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001459696778 1067386922 /nfs/dbraw/zinc/38/69/22/1067386922.db2.gz ZSSFQYZOGVCUPW-UHFFFAOYSA-N 0 0 455.002 4.718 20 0 JJADRN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCCN(C(C)=O)c3ccccc32)cc1 ZINC001459699661 1067387669 /nfs/dbraw/zinc/38/76/69/1067387669.db2.gz SSKKTSPPBYOBKT-OAQYLSRUSA-N 0 0 453.583 4.567 20 0 JJADRN C[C@H]1C[C@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC001459699790 1067387888 /nfs/dbraw/zinc/38/78/88/1067387888.db2.gz KEZBHJSXXFKGBM-HOTGVXAUSA-N 0 0 458.462 4.970 20 0 JJADRN C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC001459699795 1067387906 /nfs/dbraw/zinc/38/79/06/1067387906.db2.gz KEZBHJSXXFKGBM-HZPDHXFCSA-N 0 0 458.462 4.970 20 0 JJADRN COc1ccc(-c2cncc(C(=O)NC3(c4cccc(OC)c4F)CCOCC3)c2)c(C)c1 ZINC001459700583 1067388054 /nfs/dbraw/zinc/38/80/54/1067388054.db2.gz XGMMCXTUFSVYKS-UHFFFAOYSA-N 0 0 450.510 4.649 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC001459700238 1067388204 /nfs/dbraw/zinc/38/82/04/1067388204.db2.gz KQSZWAZMNBLDBZ-UHFFFAOYSA-N 0 0 452.324 4.921 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)n1C 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ZMAXELOYVZZFLT-GOSISDBHSA-N 0 0 450.373 4.891 20 0 JJADRN COc1ccc2c(CC(=O)Oc3ccc(Oc4ncc(Br)cn4)cc3)coc2c1 ZINC001459781801 1067418764 /nfs/dbraw/zinc/41/87/64/1067418764.db2.gz AOEJKMOCGJFSTK-UHFFFAOYSA-N 0 0 455.264 4.934 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c1 ZINC001459781976 1067418901 /nfs/dbraw/zinc/41/89/01/1067418901.db2.gz YMRLRKVABNVVAB-QGOGUYACSA-N 0 0 451.288 4.882 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001459782869 1067419569 /nfs/dbraw/zinc/41/95/69/1067419569.db2.gz LCHAEANEAATGPX-YSGRDPCXSA-N 0 0 454.430 4.557 20 0 JJADRN CCc1c(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cnn1-c1ccc(Cl)cc1 ZINC001459783811 1067420576 /nfs/dbraw/zinc/42/05/76/1067420576.db2.gz UBXATXQYVMZXAR-UHFFFAOYSA-N 0 0 451.914 4.718 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCC[C@@](C)(OC)C3)c3ccccc3n2)cc(OC)c1OC ZINC001459787304 1067422221 /nfs/dbraw/zinc/42/22/21/1067422221.db2.gz ZOIMZNUFMPENDR-AREMUKBSSA-N 0 0 450.535 4.569 20 0 JJADRN CCc1c(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC001459790419 1067423869 /nfs/dbraw/zinc/42/38/69/1067423869.db2.gz GMMWLHFZDWNPAA-IFXJQAMLSA-N 0 0 450.942 4.622 20 0 JJADRN CCc1cccc2c(CC(=O)Nc3cc(Br)cc(C(=O)N4CCCC4)c3)c[nH]c21 ZINC001459791192 1067424003 /nfs/dbraw/zinc/42/40/03/1067424003.db2.gz FZNDUHBPTFFCBL-UHFFFAOYSA-N 0 0 454.368 4.910 20 0 JJADRN CCCc1c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cnn1C1CCCC1 ZINC001459792433 1067424883 /nfs/dbraw/zinc/42/48/83/1067424883.db2.gz NBYJABNQQQJOCN-UHFFFAOYSA-N 0 0 458.360 4.693 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001459792437 1067424960 /nfs/dbraw/zinc/42/49/60/1067424960.db2.gz WIQKATRBLQCECO-BQYQJAHWSA-N 0 0 452.532 4.618 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H](OC1CCCC1)c1ccccc1 ZINC001459792700 1067425501 /nfs/dbraw/zinc/42/55/01/1067425501.db2.gz POUMKRLFTUZMMF-HXUWFJFHSA-N 0 0 456.340 4.816 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc21 ZINC001459794032 1067426051 /nfs/dbraw/zinc/42/60/51/1067426051.db2.gz AWPDCMGDUYRWFT-QZTJIDSGSA-N 0 0 450.023 4.759 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459793408 1067426111 /nfs/dbraw/zinc/42/61/11/1067426111.db2.gz VKCDRDLPDXCTCW-UHFFFAOYSA-N 0 0 451.748 4.664 20 0 JJADRN CO[C@H](CC(=O)OCc1cc(Br)c(Cl)c(Br)c1)C(F)(F)F ZINC001459794317 1067426698 /nfs/dbraw/zinc/42/66/98/1067426698.db2.gz KTWHVCWMMSCONS-SECBINFHSA-N 0 0 454.464 4.876 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001459798208 1067428261 /nfs/dbraw/zinc/42/82/61/1067428261.db2.gz MTIWKQBIGVAQHF-GCJKJVERSA-N 0 0 451.394 4.695 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001459799575 1067429146 /nfs/dbraw/zinc/42/91/46/1067429146.db2.gz XTGKEABCCBWTRN-INIZCTEOSA-N 0 0 450.808 4.556 20 0 JJADRN O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)OCc1ccc(N2CCOCC2)cc1 ZINC001459801989 1067430286 /nfs/dbraw/zinc/43/02/86/1067430286.db2.gz DOROAHBBYKNMSL-UHFFFAOYSA-N 0 0 450.482 4.828 20 0 JJADRN O=C1CN(Cc2cc(Cl)ccc2OCc2cccnc2)CCN1Cc1cccc(Cl)c1 ZINC001459801441 1067430291 /nfs/dbraw/zinc/43/02/91/1067430291.db2.gz JGLDEOUTLCMTRM-UHFFFAOYSA-N 0 0 456.373 4.812 20 0 JJADRN CCOC(=O)CN(CC(=O)N(C(C)C)C1CCCC1)[C@@H](C)c1cccc(Br)c1 ZINC001459802092 1067430306 /nfs/dbraw/zinc/43/03/06/1067430306.db2.gz MVQCKLBXCWALCR-KRWDZBQOSA-N 0 0 453.421 4.555 20 0 JJADRN Cc1cc(C2(C(=O)Nc3ccnc4c(Cl)cc(Br)cc34)CCOCC2)on1 ZINC001459805139 1067431245 /nfs/dbraw/zinc/43/12/45/1067431245.db2.gz WFCMYJGKBZWBKR-UHFFFAOYSA-N 0 0 450.720 4.634 20 0 JJADRN C[C@H](OC(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccc(Cl)cc1Cl ZINC001459806544 1067431621 /nfs/dbraw/zinc/43/16/21/1067431621.db2.gz VKMBJPAWYFSBIP-JTQLQIEISA-N 0 0 459.123 4.786 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807344 1067432351 /nfs/dbraw/zinc/43/23/51/1067432351.db2.gz ZNDZSJBLNJDISZ-WBTNSWJXSA-N 0 0 456.414 4.946 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(-c4ccc(Br)s4)nn3)ccn2)C1 ZINC001459810451 1067432732 /nfs/dbraw/zinc/43/27/32/1067432732.db2.gz JKYJUKAHAQSXCN-CYBMUJFWSA-N 0 0 458.385 4.851 20 0 JJADRN CN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1nc2c(cccc2Cl)s1 ZINC001459810523 1067432773 /nfs/dbraw/zinc/43/27/73/1067432773.db2.gz QOTUEVKHKDJVSI-UHFFFAOYSA-N 0 0 455.824 4.965 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2c(C)noc2C)C1 ZINC001546112033 1067433390 /nfs/dbraw/zinc/43/33/90/1067433390.db2.gz ABMDJKHVLIMVGO-BGYRXZFFSA-N 0 0 486.661 4.913 20 0 JJADRN Cn1ncc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1Cc1ccccc1 ZINC001459812202 1067434014 /nfs/dbraw/zinc/43/40/14/1067434014.db2.gz QDYCTYFMRRGFGH-UHFFFAOYSA-N 0 0 454.353 4.544 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC001459812518 1067434379 /nfs/dbraw/zinc/43/43/79/1067434379.db2.gz HNZLMEVLPGSNJE-QHCPKHFHSA-N 0 0 453.558 4.887 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815852 1067435412 /nfs/dbraw/zinc/43/54/12/1067435412.db2.gz AXBJOWIQKPTTKG-INIZCTEOSA-N 0 0 450.385 4.791 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001459816776 1067435975 /nfs/dbraw/zinc/43/59/75/1067435975.db2.gz ISAVDDHFTKOWHP-FQEVSTJZSA-N 0 0 452.555 4.621 20 0 JJADRN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC001459817499 1067436526 /nfs/dbraw/zinc/43/65/26/1067436526.db2.gz LNPSJBOQRRHLOE-JKSUJKDBSA-N 0 0 458.965 4.826 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)NCc1cccc(OCC(F)(F)F)n1 ZINC001459821022 1067438385 /nfs/dbraw/zinc/43/83/85/1067438385.db2.gz CIFRJHTZTDFIQP-UHFFFAOYSA-N 0 0 451.670 4.688 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1C ZINC001459821090 1067438712 /nfs/dbraw/zinc/43/87/12/1067438712.db2.gz FDHDKUJNWFLNGR-HXUWFJFHSA-N 0 0 459.388 4.675 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1OCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001459821652 1067438793 /nfs/dbraw/zinc/43/87/93/1067438793.db2.gz QDLSARYJVYYQJG-UHFFFAOYSA-N 0 0 459.974 4.524 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001459822532 1067439166 /nfs/dbraw/zinc/43/91/66/1067439166.db2.gz KMYWEZVCYWYLKR-NSHDSACASA-N 0 0 457.093 4.691 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](OC)C(C)C)C1 ZINC001546112107 1067439605 /nfs/dbraw/zinc/43/96/05/1067439605.db2.gz CYOUYCMQQQIPSU-HSALFYBXSA-N 0 0 463.667 4.736 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC001459822873 1067439712 /nfs/dbraw/zinc/43/97/12/1067439712.db2.gz QFJGMJDHKIASOF-FQEVSTJZSA-N 0 0 458.624 4.809 20 0 JJADRN Cc1cc(C(=O)NCCCCn2cc(Br)cn2)ccc1NC(=O)OC(C)(C)C ZINC001459825273 1067440693 /nfs/dbraw/zinc/44/06/93/1067440693.db2.gz KUMUIPARXUOITH-UHFFFAOYSA-N 0 0 451.365 4.511 20 0 JJADRN COc1cc(C(=O)NCCCCn2cc(Br)cn2)cc(Cl)c1OCC(C)C ZINC001459826480 1067441373 /nfs/dbraw/zinc/44/13/73/1067441373.db2.gz OHZAZDBQJQRKOO-UHFFFAOYSA-N 0 0 458.784 4.553 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nccs2)C1 ZINC001546112120 1067442181 /nfs/dbraw/zinc/44/21/81/1067442181.db2.gz DFEJQRZHUJVPOO-CALCHBBNSA-N 0 0 460.648 4.570 20 0 JJADRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001459828556 1067442229 /nfs/dbraw/zinc/44/22/29/1067442229.db2.gz OAJZAQYCKMIHGR-OAQYLSRUSA-N 0 0 454.617 4.809 20 0 JJADRN O=C(NCC(F)(F)C(F)F)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459830402 1067443299 /nfs/dbraw/zinc/44/32/99/1067443299.db2.gz ALORNWQOYHCMTF-UHFFFAOYSA-N 0 0 456.237 4.932 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001459832755 1067444934 /nfs/dbraw/zinc/44/49/34/1067444934.db2.gz KVXRDWYLVYEAKT-UHFFFAOYSA-N 0 0 455.690 4.569 20 0 JJADRN CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 ZINC001459833826 1067445359 /nfs/dbraw/zinc/44/53/59/1067445359.db2.gz HDDRLVNHRNUIRD-UHFFFAOYSA-N 0 0 450.970 4.759 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)CCCNC(=O)OCc1ccccc1 ZINC001459835078 1067445813 /nfs/dbraw/zinc/44/58/13/1067445813.db2.gz VWWVZPKDGADYIY-UHFFFAOYSA-N 0 0 453.764 4.768 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001459835896 1067446449 /nfs/dbraw/zinc/44/64/49/1067446449.db2.gz YLAONPVKXVEFPM-MRXNPFEDSA-N 0 0 455.805 4.817 20 0 JJADRN Cc1ccc(-n2cccn2)cc1NC(=O)c1c(F)ccc(I)c1Cl ZINC001459839229 1067447527 /nfs/dbraw/zinc/44/75/27/1067447527.db2.gz GUNLYVPKARNNPO-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC[C@@]1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)CCOC1 ZINC001459838263 1067447545 /nfs/dbraw/zinc/44/75/45/1067447545.db2.gz AIJFNXSXHBTBLH-HXUWFJFHSA-N 0 0 457.427 4.685 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN3CCC[C@@H]3CC(=O)c3ccc(F)cc3)s2)cc1 ZINC001459841896 1067448548 /nfs/dbraw/zinc/44/85/48/1067448548.db2.gz QOTMTITWANWYJO-HXUWFJFHSA-N 0 0 452.555 4.729 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001546112201 1067450045 /nfs/dbraw/zinc/45/00/45/1067450045.db2.gz HUDHTTMUIOHQOT-HXUWFJFHSA-N 0 0 476.712 4.720 20 0 JJADRN COc1ccc(Cn2cc(C(=O)Nc3cccc(Cl)c3Br)cn2)cc1OC ZINC001459844738 1067451112 /nfs/dbraw/zinc/45/11/12/1067451112.db2.gz LUAHBOVODCFFHS-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc2ccccc2c1 ZINC001459847572 1067453131 /nfs/dbraw/zinc/45/31/31/1067453131.db2.gz CWSGWTMPJGGSJF-FQEVSTJZSA-N 0 0 454.958 4.682 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001459848093 1067453682 /nfs/dbraw/zinc/45/36/82/1067453682.db2.gz AMCFECQVQNZJKM-GPXNEJASSA-N 0 0 452.595 4.974 20 0 JJADRN COC(=O)c1cccc(NC(=O)CCc2cc(F)ccc2Br)c1Br ZINC001459848360 1067453711 /nfs/dbraw/zinc/45/37/11/1067453711.db2.gz CAWDSCPLSMHVCL-UHFFFAOYSA-N 0 0 459.109 4.709 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN[C@H](C)c3ccccc3OC(C)C)n2)c1 ZINC001459849731 1067454624 /nfs/dbraw/zinc/45/46/24/1067454624.db2.gz XUIVKEUCPWYKMY-MRXNPFEDSA-N 0 0 455.580 4.904 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1Br ZINC001459853357 1067457749 /nfs/dbraw/zinc/45/77/49/1067457749.db2.gz UPKVEWXAWAYNIR-UHFFFAOYSA-N 0 0 453.720 4.736 20 0 JJADRN C[S@](=O)C[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855797 1067459211 /nfs/dbraw/zinc/45/92/11/1067459211.db2.gz ZPRGAQBSJRVAOX-NRRJATNASA-N 0 0 454.206 4.948 20 0 JJADRN C[S@@](=O)C[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855801 1067459293 /nfs/dbraw/zinc/45/92/93/1067459293.db2.gz ZPRGAQBSJRVAOX-WHDAMIPWSA-N 0 0 454.206 4.948 20 0 JJADRN C[S@@](=O)C[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855778 1067459300 /nfs/dbraw/zinc/45/93/00/1067459300.db2.gz ZIXUCAWPWANRKZ-VPTFNQTCSA-N 0 0 458.008 4.927 20 0 JJADRN C[S@](=O)C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855774 1067459306 /nfs/dbraw/zinc/45/93/06/1067459306.db2.gz ZIXUCAWPWANRKZ-PBYQXAPXSA-N 0 0 458.008 4.927 20 0 JJADRN COC(=O)c1cccc(NC(=O)CSc2ccccc2Br)c1Br ZINC001459858954 1067460834 /nfs/dbraw/zinc/46/08/34/1067460834.db2.gz ZTUDKYIEFWSDKI-UHFFFAOYSA-N 0 0 459.159 4.729 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC001459859663 1067460884 /nfs/dbraw/zinc/46/08/84/1067460884.db2.gz UOFFPJYAXMRCLT-OSPHWJPCSA-N 0 0 457.530 4.797 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001459862218 1067461851 /nfs/dbraw/zinc/46/18/51/1067461851.db2.gz DCFWGGPIKWNYSK-FQEVSTJZSA-N 0 0 456.562 4.547 20 0 JJADRN COC(=O)c1cccc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1Cl ZINC001459864561 1067463075 /nfs/dbraw/zinc/46/30/75/1067463075.db2.gz HOQCOEZLBISDSE-UHFFFAOYSA-N 0 0 457.876 4.595 20 0 JJADRN Cc1cc([C@H](OC(=O)c2cn(Cc3ccccc3)nn2)C(F)(F)F)ccc1Br ZINC001459865898 1067463617 /nfs/dbraw/zinc/46/36/17/1067463617.db2.gz RKTGNTNFZBVWMS-KRWDZBQOSA-N 0 0 454.246 4.858 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC001459865654 1067463667 /nfs/dbraw/zinc/46/36/67/1067463667.db2.gz MMSWQWSCGKXYPO-LJQANCHMSA-N 0 0 450.539 4.638 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001459867384 1067464622 /nfs/dbraw/zinc/46/46/22/1067464622.db2.gz DDLJVGKUXMWVGH-CAOCKLPOSA-N 0 0 450.579 4.886 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001459867718 1067464669 /nfs/dbraw/zinc/46/46/69/1067464669.db2.gz FJXAPGDKNXSFLB-HNNXBMFYSA-N 0 0 451.283 4.599 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H](C)c3cccc(Cl)c3Cl)nc2c1 ZINC001459868380 1067465279 /nfs/dbraw/zinc/46/52/79/1067465279.db2.gz IGRBQBMZFPCREY-ZDUSSCGKSA-N 0 0 455.411 4.751 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@H](C)c3cccc(Cl)c3Cl)nc2c1 ZINC001459868377 1067465295 /nfs/dbraw/zinc/46/52/95/1067465295.db2.gz IGRBQBMZFPCREY-CYBMUJFWSA-N 0 0 455.411 4.751 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2cccc(Cn3ccnn3)c2)C(F)(F)F)ccc1Br ZINC001459868565 1067465382 /nfs/dbraw/zinc/46/53/82/1067465382.db2.gz YPPHKDFGWJYVFH-QGZVFWFLSA-N 0 0 454.246 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC001459868785 1067465708 /nfs/dbraw/zinc/46/57/08/1067465708.db2.gz ZHFURVRUJBZSHT-MIZPHKNDSA-N 0 0 459.606 4.680 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)c3ccccc3n2)c(C)c1 ZINC001459869201 1067466333 /nfs/dbraw/zinc/46/63/33/1067466333.db2.gz LNCVHRHJOUBULQ-QHCPKHFHSA-N 0 0 457.496 4.512 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001459872304 1067467802 /nfs/dbraw/zinc/46/78/02/1067467802.db2.gz RBEUKOGABXTWNA-IBGZPJMESA-N 0 0 452.580 4.684 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)NC(C)C)cc1NC(=O)c1ccccc1F ZINC001459872352 1067467870 /nfs/dbraw/zinc/46/78/70/1067467870.db2.gz RDGYNTMEFMXGMS-IBGZPJMESA-N 0 0 455.530 4.516 20 0 JJADRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001459872601 1067467908 /nfs/dbraw/zinc/46/79/08/1067467908.db2.gz SKRHXGADOGBSQJ-INIZCTEOSA-N 0 0 453.967 4.816 20 0 JJADRN O=C1[C@@H](N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001459873493 1067468412 /nfs/dbraw/zinc/46/84/12/1067468412.db2.gz CHYCBVRLDQEBIM-RBUKOAKNSA-N 0 0 457.304 4.774 20 0 JJADRN O=C(CN1CCN(Cc2cccc(Cl)c2Br)CC1)Nc1ccc(Cl)cc1 ZINC001459874504 1067468939 /nfs/dbraw/zinc/46/89/39/1067468939.db2.gz PUYHGTFSDIPEAJ-UHFFFAOYSA-N 0 0 457.199 4.512 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001459875758 1067469363 /nfs/dbraw/zinc/46/93/63/1067469363.db2.gz JDLHFQIZWNULOR-UMEGOILYSA-N 0 0 452.595 4.806 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)C1(c2cncc(Br)c2)CC1 ZINC001459877849 1067470304 /nfs/dbraw/zinc/47/03/04/1067470304.db2.gz BEGOORVZBZEFSZ-UHFFFAOYSA-N 0 0 453.159 4.887 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001459879940 1067470687 /nfs/dbraw/zinc/47/06/87/1067470687.db2.gz HRNOVDMVPKIHNZ-DENIHFKCSA-N 0 0 453.407 4.633 20 0 JJADRN CN(C(=O)c1cn(C(C)(C)C)nc1Br)c1ncc2c(n1)-c1ccccc1SC2 ZINC001459880221 1067470753 /nfs/dbraw/zinc/47/07/53/1067470753.db2.gz KVOGBSAWDLSZDI-UHFFFAOYSA-N 0 0 458.385 4.740 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3nc4c(cccc4Br)s3)cc2C1=O ZINC001459878997 1067470788 /nfs/dbraw/zinc/47/07/88/1067470788.db2.gz FIESWTPOCXLPEW-UHFFFAOYSA-N 0 0 458.337 4.707 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)c1cn2ccc(Br)cc2n1 ZINC001459881092 1067471284 /nfs/dbraw/zinc/47/12/84/1067471284.db2.gz NNACROVROIOXGM-UHFFFAOYSA-N 0 0 452.131 4.721 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC001459881585 1067471746 /nfs/dbraw/zinc/47/17/46/1067471746.db2.gz CLGVXBBCYAOXCW-FQEVSTJZSA-N 0 0 455.942 4.971 20 0 JJADRN C[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459883615 1067472328 /nfs/dbraw/zinc/47/23/28/1067472328.db2.gz PPMOQICTEOXLKG-OAQYLSRUSA-N 0 0 451.611 4.665 20 0 JJADRN C[C@]1(C(=O)Nc2nc3c(cccc3Br)s2)CCCN(C(=O)c2ccccc2)C1 ZINC001459883081 1067472348 /nfs/dbraw/zinc/47/23/48/1067472348.db2.gz STFMCSIYSOKCSD-NRFANRHFSA-N 0 0 458.381 4.940 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc3ccncc3c2)C1=O ZINC001459889902 1067474613 /nfs/dbraw/zinc/47/46/13/1067474613.db2.gz ZMHZBKBMVWZNQL-FQEVSTJZSA-N 0 0 452.352 4.540 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001459899078 1067478688 /nfs/dbraw/zinc/47/86/88/1067478688.db2.gz BAOHBXZKPGOQEL-GFCCVEGCSA-N 0 0 457.381 4.643 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC001459900220 1067479606 /nfs/dbraw/zinc/47/96/06/1067479606.db2.gz ITMDGHIFWVMYPW-UHFFFAOYSA-N 0 0 455.202 4.840 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nn1[C@H](C)C1CC1 ZINC001459900880 1067479625 /nfs/dbraw/zinc/47/96/25/1067479625.db2.gz NJJZWIFBXDFYMY-YLJYHZDGSA-N 0 0 459.432 4.941 20 0 JJADRN C[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900921 1067479745 /nfs/dbraw/zinc/47/97/45/1067479745.db2.gz ZDQZDMMQBMNMEJ-QZTJIDSGSA-N 0 0 458.518 4.542 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC001459901420 1067480311 /nfs/dbraw/zinc/48/03/11/1067480311.db2.gz LDLZHHPAGSCMGO-JZXTWQBISA-N 0 0 450.982 4.585 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2cc(C)cc(I)c2)c1 ZINC001459902033 1067480687 /nfs/dbraw/zinc/48/06/87/1067480687.db2.gz MPLJJEJWYZLEHF-UHFFFAOYSA-N 0 0 451.182 4.759 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001459903153 1067481395 /nfs/dbraw/zinc/48/13/95/1067481395.db2.gz LNTBBDMXZHVUNA-ZDUSSCGKSA-N 0 0 459.775 4.878 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1nnnn1-c1ccccc1Br ZINC001459905645 1067482625 /nfs/dbraw/zinc/48/26/25/1067482625.db2.gz KPRGGHPDEJKHED-CYBMUJFWSA-N 0 0 455.385 4.708 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905666 1067483015 /nfs/dbraw/zinc/48/30/15/1067483015.db2.gz UKCOZUUIAVSPAE-SFTDATJTSA-N 0 0 450.501 4.959 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(Cl)c(SC(=O)N(C)C)c3)CCC2=O)c1 ZINC001459906030 1067483034 /nfs/dbraw/zinc/48/30/34/1067483034.db2.gz KCYGGMJZYVDDGZ-UHFFFAOYSA-N 0 0 458.971 4.852 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C2 ZINC001459906094 1067483074 /nfs/dbraw/zinc/48/30/74/1067483074.db2.gz KZPVDYAIUOUSBQ-BODDSPMOSA-N 0 0 454.655 4.594 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001459908654 1067484525 /nfs/dbraw/zinc/48/45/25/1067484525.db2.gz IMQPYAQTSWUASS-VGOFRKELSA-N 0 0 452.530 4.679 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccccc3C(=O)c3ccccc3)n2)cc1F ZINC001459908759 1067484580 /nfs/dbraw/zinc/48/45/80/1067484580.db2.gz DPZZNLSRULPASC-QGZVFWFLSA-N 0 0 458.493 4.704 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001459908650 1067484642 /nfs/dbraw/zinc/48/46/42/1067484642.db2.gz IMQPYAQTSWUASS-JTSKRJEESA-N 0 0 452.530 4.679 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)CNC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1C ZINC001459908547 1067484670 /nfs/dbraw/zinc/48/46/70/1067484670.db2.gz CXAARQLAXZIOMU-UHFFFAOYSA-N 0 0 456.587 4.871 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN[C@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1C ZINC001459910640 1067485868 /nfs/dbraw/zinc/48/58/68/1067485868.db2.gz MWBYUTZAQWFTEC-OAHLLOKOSA-N 0 0 451.527 4.905 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)C1 ZINC001459915915 1067488943 /nfs/dbraw/zinc/48/89/43/1067488943.db2.gz BVRJXYYUQOEPTH-GDBMZVCRSA-N 0 0 457.796 4.966 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001459916627 1067489508 /nfs/dbraw/zinc/48/95/08/1067489508.db2.gz CDJREGLYWZXPEH-RDJZCZTQSA-N 0 0 455.418 4.543 20 0 JJADRN O=C(NCCn1cc(Br)cn1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001459916987 1067489933 /nfs/dbraw/zinc/48/99/33/1067489933.db2.gz AAXSATUWXUDGHJ-UHFFFAOYSA-N 0 0 455.287 4.537 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001459917723 1067490017 /nfs/dbraw/zinc/49/00/17/1067490017.db2.gz FXZXNRHOUJYQTP-UTKZUKDTSA-N 0 0 459.587 4.741 20 0 JJADRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459918161 1067490353 /nfs/dbraw/zinc/49/03/53/1067490353.db2.gz BAYPNHBEKMFMPQ-JOCHJYFZSA-N 0 0 457.615 4.508 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001459918058 1067490358 /nfs/dbraw/zinc/49/03/58/1067490358.db2.gz AMRPCBLOQJEMAU-LBPRGKRZSA-N 0 0 458.274 4.958 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)cc1OC1CCCC1 ZINC001459917975 1067490505 /nfs/dbraw/zinc/49/05/05/1067490505.db2.gz GWGODGASITZNCJ-FPOVZHCZSA-N 0 0 458.599 4.880 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)cc1OC1CCCC1 ZINC001459917978 1067490508 /nfs/dbraw/zinc/49/05/08/1067490508.db2.gz GWGODGASITZNCJ-PZJWPPBQSA-N 0 0 458.599 4.880 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001459918494 1067490812 /nfs/dbraw/zinc/49/08/12/1067490812.db2.gz JZKXHLZKGRZLOM-RHSMWYFYSA-N 0 0 453.461 4.504 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC001459919502 1067490835 /nfs/dbraw/zinc/49/08/35/1067490835.db2.gz KUDXOENUEMDBDJ-IEBWSBKVSA-N 0 0 459.587 4.736 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001459918497 1067490858 /nfs/dbraw/zinc/49/08/58/1067490858.db2.gz JZKXHLZKGRZLOM-YOEHRIQHSA-N 0 0 453.461 4.504 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC001459921338 1067492338 /nfs/dbraw/zinc/49/23/38/1067492338.db2.gz NWCWZOQORRQOLV-UZLBHIALSA-N 0 0 450.398 4.613 20 0 JJADRN O=C(CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccc(N2CCCC2=O)cc1 ZINC001459922085 1067492745 /nfs/dbraw/zinc/49/27/45/1067492745.db2.gz OHHKKKMSSHQTND-UHFFFAOYSA-N 0 0 458.389 4.526 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2ccc(F)c(Br)c2)c(C)cc1Br ZINC001459923758 1067493360 /nfs/dbraw/zinc/49/33/60/1067493360.db2.gz KPOSRHGXPQUGRI-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC001459925838 1067494330 /nfs/dbraw/zinc/49/43/30/1067494330.db2.gz ZZRYJDAMBAIFKT-MBOZVWFJSA-N 0 0 451.405 4.802 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC001459925833 1067494379 /nfs/dbraw/zinc/49/43/79/1067494379.db2.gz ZZRYJDAMBAIFKT-HLIPFELVSA-N 0 0 451.405 4.802 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459926122 1067494923 /nfs/dbraw/zinc/49/49/23/1067494923.db2.gz WLDYQDVQEZPIHA-QZTJIDSGSA-N 0 0 456.505 4.722 20 0 JJADRN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928365 1067495477 /nfs/dbraw/zinc/49/54/77/1067495477.db2.gz BPRSPMHNQLPMPN-HKUYNNGSSA-N 0 0 450.284 4.825 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001459930828 1067496397 /nfs/dbraw/zinc/49/63/97/1067496397.db2.gz HMTTUCADOHNOAD-UHFFFAOYSA-N 0 0 458.792 4.562 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC001459932688 1067496991 /nfs/dbraw/zinc/49/69/91/1067496991.db2.gz DWCXRCITPTYPBU-IBGZPJMESA-N 0 0 457.592 4.544 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC001459931953 1067497005 /nfs/dbraw/zinc/49/70/05/1067497005.db2.gz IYHKKSPHCPHEJZ-ACJLOTCBSA-N 0 0 457.518 4.563 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC001459936229 1067498484 /nfs/dbraw/zinc/49/84/84/1067498484.db2.gz ZOORDGZIBOUQJW-RDJZCZTQSA-N 0 0 458.430 4.892 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC001459938516 1067499528 /nfs/dbraw/zinc/49/95/28/1067499528.db2.gz XWPVYLDCGIRULU-INIZCTEOSA-N 0 0 450.398 4.755 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N([C@H](C)c3ccccc3)C3CC3)CC2)cc1 ZINC001459937667 1067499555 /nfs/dbraw/zinc/49/95/55/1067499555.db2.gz UBPYDFQXYMXIBJ-HXUWFJFHSA-N 0 0 454.636 4.963 20 0 JJADRN CC(=O)N(c1nc(CN2CC[C@](O)(C(F)(F)F)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459940592 1067500072 /nfs/dbraw/zinc/50/00/72/1067500072.db2.gz NXIRWTKBOQZXRN-MRXNPFEDSA-N 0 0 454.301 4.634 20 0 JJADRN CC(C)OC(=O)C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC001459939547 1067500192 /nfs/dbraw/zinc/50/01/92/1067500192.db2.gz XQSBPKBYPPZFMB-DEOSSOPVSA-N 0 0 459.546 4.550 20 0 JJADRN CO[C@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)C1 ZINC001459939929 1067500210 /nfs/dbraw/zinc/50/02/10/1067500210.db2.gz BAVTZULBVLCTAD-GASCZTMLSA-N 0 0 457.427 4.636 20 0 JJADRN O=C(Nc1ncc(-c2ccccn2)s1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001459943660 1067500893 /nfs/dbraw/zinc/50/08/93/1067500893.db2.gz KDPWUPRDRBJOLZ-UHFFFAOYSA-N 0 0 450.833 4.710 20 0 JJADRN CCCN(C)[C@@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942971 1067501040 /nfs/dbraw/zinc/50/10/40/1067501040.db2.gz BCWGFSLWFBDXLW-FCHUYYIVSA-N 0 0 457.080 4.611 20 0 JJADRN COCCC[C@H](CNC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001459947728 1067502506 /nfs/dbraw/zinc/50/25/06/1067502506.db2.gz XQUCMWFYEYDBHR-NWKXHEKXSA-N 0 0 451.007 4.899 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948606 1067503622 /nfs/dbraw/zinc/50/36/22/1067503622.db2.gz BSYVGLYJLHCGNW-OLZOCXBDSA-N 0 0 459.395 4.876 20 0 JJADRN COc1ccc(Br)c(CN(C)[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC001459951004 1067504206 /nfs/dbraw/zinc/50/42/06/1067504206.db2.gz MKBHNUIWYMSSQW-GOSISDBHSA-N 0 0 457.290 4.714 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 ZINC001459953497 1067505177 /nfs/dbraw/zinc/50/51/77/1067505177.db2.gz QVELKUYDJPEZJY-IAQYHMDHSA-N 0 0 457.353 4.814 20 0 JJADRN C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953682 1067505359 /nfs/dbraw/zinc/50/53/59/1067505359.db2.gz XLRGYCYFFHBVPI-JYRCXFKTSA-N 0 0 458.425 4.502 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001459956637 1067506686 /nfs/dbraw/zinc/50/66/86/1067506686.db2.gz BUQDUSHQAOZSCA-ZWOKBUDYSA-N 0 0 456.970 4.710 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001459956606 1067506726 /nfs/dbraw/zinc/50/67/26/1067506726.db2.gz BUQDUSHQAOZSCA-HLIPFELVSA-N 0 0 456.970 4.710 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959322 1067507715 /nfs/dbraw/zinc/50/77/15/1067507715.db2.gz PIHJGWNMKIINDT-SFHVURJKSA-N 0 0 457.368 4.893 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001459960388 1067508034 /nfs/dbraw/zinc/50/80/34/1067508034.db2.gz OKSCHFJKTXLOQK-QFIPXVFZSA-N 0 0 455.954 4.982 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC001459960395 1067508125 /nfs/dbraw/zinc/50/81/25/1067508125.db2.gz OMYQORUKNGPACX-UHFFFAOYSA-N 0 0 451.242 4.935 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459961033 1067508493 /nfs/dbraw/zinc/50/84/93/1067508493.db2.gz PBGVSMNEHMPANZ-AVRDEDQJSA-N 0 0 453.560 4.876 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc2ccccc2c1 ZINC001459962664 1067509125 /nfs/dbraw/zinc/50/91/25/1067509125.db2.gz QWDNZROYGXTHTL-OAQYLSRUSA-N 0 0 451.320 4.598 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2sc(SC3CCCC3)nc2C)cc1 ZINC001459962277 1067509319 /nfs/dbraw/zinc/50/93/19/1067509319.db2.gz RVSBXKUHFIMHMM-CQSZACIVSA-N 0 0 452.667 4.700 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001459965745 1067509957 /nfs/dbraw/zinc/50/99/57/1067509957.db2.gz XGAFYKLFUPVHBA-OALUTQOASA-N 0 0 453.739 4.568 20 0 JJADRN O=C(CN1CCC(COc2ccccc2C(F)(F)F)CC1)Nc1ccnn1C1CCCC1 ZINC001459971073 1067510622 /nfs/dbraw/zinc/51/06/22/1067510622.db2.gz GSJIMCBGCMISRS-UHFFFAOYSA-N 0 0 450.505 4.747 20 0 JJADRN COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001459970680 1067510705 /nfs/dbraw/zinc/51/07/05/1067510705.db2.gz HADYAYOCVZUVBO-QHCPKHFHSA-N 0 0 450.535 4.788 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459972912 1067511209 /nfs/dbraw/zinc/51/12/09/1067511209.db2.gz CZWRDIDTRRCALX-JOCHJYFZSA-N 0 0 451.567 4.545 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1)C[C@H]1CCCO1 ZINC001459972768 1067511216 /nfs/dbraw/zinc/51/12/16/1067511216.db2.gz GFLZJYYKEUFOLS-LJQANCHMSA-N 0 0 454.970 4.634 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC001459974331 1067511806 /nfs/dbraw/zinc/51/18/06/1067511806.db2.gz OFCHILSHXTWNQP-KRWDZBQOSA-N 0 0 458.386 4.895 20 0 JJADRN O=C(c1nn(-c2cccc(Br)c2)c2c1CCC2)N1CCC(CC(F)(F)F)CC1 ZINC001459974373 1067511891 /nfs/dbraw/zinc/51/18/91/1067511891.db2.gz HSLGILKPYRAOPZ-UHFFFAOYSA-N 0 0 456.306 4.928 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001459974699 1067511912 /nfs/dbraw/zinc/51/19/12/1067511912.db2.gz NGKAHDTZIQTELZ-UHFFFAOYSA-N 0 0 456.391 4.997 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cn1 ZINC001459974810 1067512194 /nfs/dbraw/zinc/51/21/94/1067512194.db2.gz HKPGQVMIMYLAPZ-UHFFFAOYSA-N 0 0 451.368 4.574 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2cccc(Br)c2)CC1 ZINC001459974957 1067512202 /nfs/dbraw/zinc/51/22/02/1067512202.db2.gz ISGWHJXYBXSCLU-UHFFFAOYSA-N 0 0 458.331 4.525 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC001459977352 1067513257 /nfs/dbraw/zinc/51/32/57/1067513257.db2.gz XGNQCPFBPQZUTA-GUYCJALGSA-N 0 0 458.817 4.980 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001459977931 1067513492 /nfs/dbraw/zinc/51/34/92/1067513492.db2.gz KDSMQSSVBYQHKF-ZJSXRUAMSA-N 0 0 454.998 4.930 20 0 JJADRN C[C@@H](NC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)C1(S(C)(=O)=O)CC1 ZINC001459979276 1067513949 /nfs/dbraw/zinc/51/39/49/1067513949.db2.gz QZGFGWFHZAZSNV-CYBMUJFWSA-N 0 0 458.432 4.981 20 0 JJADRN C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981125 1067514598 /nfs/dbraw/zinc/51/45/98/1067514598.db2.gz UZKMMAPFLHYWGC-NVXWUHKLSA-N 0 0 456.414 4.598 20 0 JJADRN COc1c(NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)cc(Cl)cc1C(=O)N(C)C ZINC001459983680 1067515222 /nfs/dbraw/zinc/51/52/22/1067515222.db2.gz DDKTYGCWMRLZQG-UHFFFAOYSA-N 0 0 458.864 4.865 20 0 JJADRN O=C(Nc1cncc(Cl)c1Br)c1cnn(-c2ccc(Br)cc2)c1 ZINC001459986185 1067515965 /nfs/dbraw/zinc/51/59/65/1067515965.db2.gz LRIWLSAWAGVRCK-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)C[C@H](O)C(F)(F)F ZINC001459985340 1067516089 /nfs/dbraw/zinc/51/60/89/1067516089.db2.gz FQSTYVJSGVTXTN-HNNXBMFYSA-N 0 0 455.424 4.592 20 0 JJADRN CNS(=O)(=O)c1cc(NC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)ccc1F ZINC001459986827 1067516422 /nfs/dbraw/zinc/51/64/22/1067516422.db2.gz BVRRVBDXJNXMBU-HSZRJFAPSA-N 0 0 456.539 4.616 20 0 JJADRN COc1c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc(Cl)cc1C(=O)N(C)C ZINC001459988323 1067516457 /nfs/dbraw/zinc/51/64/57/1067516457.db2.gz RRNOCBUWDLAWAR-UHFFFAOYSA-N 0 0 456.926 4.693 20 0 JJADRN O=C(Nc1ccc2c(c1F)CCNC2=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001459988077 1067516648 /nfs/dbraw/zinc/51/66/48/1067516648.db2.gz BGLFFGYMHHIDFI-UHFFFAOYSA-N 0 0 451.342 4.916 20 0 JJADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC001459990629 1067517071 /nfs/dbraw/zinc/51/70/71/1067517071.db2.gz CYDSCCQABMRAGP-UHFFFAOYSA-N 0 0 453.404 4.541 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(Br)cc2c1OCC2 ZINC001459991362 1067518022 /nfs/dbraw/zinc/51/80/22/1067518022.db2.gz JTHPBIZAVULAKW-MAUKXSAKSA-N 0 0 458.352 4.541 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991171 1067518040 /nfs/dbraw/zinc/51/80/40/1067518040.db2.gz MPWHVEIFTNIBAW-NQIIRXRSSA-N 0 0 452.628 4.798 20 0 JJADRN O=C(Nc1nc2c(s1)CSCC2)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001459993201 1067518841 /nfs/dbraw/zinc/51/88/41/1067518841.db2.gz PULGADRGXSRNNC-GFCCVEGCSA-N 0 0 456.420 4.730 20 0 JJADRN CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC001459994454 1067519113 /nfs/dbraw/zinc/51/91/13/1067519113.db2.gz JXAODVXLZOAJPZ-OAQYLSRUSA-N 0 0 459.546 4.992 20 0 JJADRN Cn1nc(I)cc1C(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001459996049 1067519170 /nfs/dbraw/zinc/51/91/70/1067519170.db2.gz JODYDZRAUHUZLW-LSDHHAIUSA-N 0 0 457.743 4.524 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3nc4c(s3)CSCC4)[nH]c(=O)c2c1C ZINC001459997124 1067519962 /nfs/dbraw/zinc/51/99/62/1067519962.db2.gz ZPHJNKUZIWLMRI-SNVBAGLBSA-N 0 0 452.652 4.520 20 0 JJADRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001459998637 1067520574 /nfs/dbraw/zinc/52/05/74/1067520574.db2.gz RWSXUXKHHWHTQZ-GOSISDBHSA-N 0 0 455.967 4.738 20 0 JJADRN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001459998469 1067520666 /nfs/dbraw/zinc/52/06/66/1067520666.db2.gz NXUWUIOZSYGMAM-AWEZNQCLSA-N 0 0 451.880 4.611 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC001459999735 1067521438 /nfs/dbraw/zinc/52/14/38/1067521438.db2.gz VMPYXDYYUBTSGL-NRFANRHFSA-N 0 0 452.498 4.833 20 0 JJADRN COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)cs1 ZINC001460004959 1067523643 /nfs/dbraw/zinc/52/36/43/1067523643.db2.gz BFXIVMQIDZFGFG-SFHVURJKSA-N 0 0 450.988 4.982 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)OCc2cn(-c3ccccc3Br)nn2)c1 ZINC001460005636 1067524047 /nfs/dbraw/zinc/52/40/47/1067524047.db2.gz JPQNQEJLAALKBS-UHFFFAOYSA-N 0 0 458.356 4.939 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)COc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 ZINC001460006625 1067524239 /nfs/dbraw/zinc/52/42/39/1067524239.db2.gz PLYOFXCIRAIJRX-UHFFFAOYSA-N 0 0 457.253 4.538 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCCN(C(=O)c2ccccc2)C1 ZINC001460007466 1067524708 /nfs/dbraw/zinc/52/47/08/1067524708.db2.gz UROZXSAPXSXRJG-XMMPIXPASA-N 0 0 459.562 4.745 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460008264 1067525131 /nfs/dbraw/zinc/52/51/31/1067525131.db2.gz UKHWQVJQFGLQFE-AWEZNQCLSA-N 0 0 452.450 4.773 20 0 JJADRN CCOC(=O)c1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(CC)cc2)cs1 ZINC001460010276 1067526070 /nfs/dbraw/zinc/52/60/70/1067526070.db2.gz FIACDQYFEWFTCV-HXUWFJFHSA-N 0 0 459.612 4.676 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013268 1067527307 /nfs/dbraw/zinc/52/73/07/1067527307.db2.gz HBXQMRYAMPJGJJ-SFHVURJKSA-N 0 0 451.876 4.949 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1Br ZINC001460015705 1067528709 /nfs/dbraw/zinc/52/87/09/1067528709.db2.gz AMTPYCJFURFXIS-JOCHJYFZSA-N 0 0 456.340 4.543 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1ccc(Br)cc1 ZINC001460015770 1067528795 /nfs/dbraw/zinc/52/87/95/1067528795.db2.gz AXXQZJWEMZOFQS-MRXNPFEDSA-N 0 0 452.190 4.987 20 0 JJADRN CO[C@@H](C)c1nsc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)n1 ZINC001460017959 1067529767 /nfs/dbraw/zinc/52/97/67/1067529767.db2.gz UGESDHOODQKZDP-JTQLQIEISA-N 0 0 451.371 4.807 20 0 JJADRN CSc1ccccc1NC(=O)CCN(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001460021656 1067530907 /nfs/dbraw/zinc/53/09/07/1067530907.db2.gz BVPSUGXSLFNZRN-UHFFFAOYSA-N 0 0 454.423 4.682 20 0 JJADRN O=C(CCc1cccc(Br)c1)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460021113 1067531011 /nfs/dbraw/zinc/53/10/11/1067531011.db2.gz RLHHJUFLQDPUAY-UHFFFAOYSA-N 0 0 455.324 4.724 20 0 JJADRN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021939 1067531511 /nfs/dbraw/zinc/53/15/11/1067531511.db2.gz XMUHHUCJRVPRQX-PSASIEDQSA-N 0 0 459.715 4.668 20 0 JJADRN Cc1cccc(CC(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c1Br ZINC001460022847 1067532000 /nfs/dbraw/zinc/53/20/00/1067532000.db2.gz XNTHIWXFKWZKPF-UHFFFAOYSA-N 0 0 455.324 4.643 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(C)C)c2C)C1=O ZINC001460023603 1067532019 /nfs/dbraw/zinc/53/20/19/1067532019.db2.gz NHAXWIIXWSWWDV-UHFFFAOYSA-N 0 0 459.550 4.653 20 0 JJADRN CCc1c(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001460023097 1067532025 /nfs/dbraw/zinc/53/20/25/1067532025.db2.gz YYFXJUIPYMPTPQ-UHFFFAOYSA-N 0 0 454.521 4.915 20 0 JJADRN C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001460023380 1067532355 /nfs/dbraw/zinc/53/23/55/1067532355.db2.gz IFEPAFNJJFTHQJ-AWEZNQCLSA-N 0 0 458.411 4.599 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c(=O)[nH]1 ZINC001460034006 1067535392 /nfs/dbraw/zinc/53/53/92/1067535392.db2.gz PHYDCFHMPLZCLZ-HXUWFJFHSA-N 0 0 454.324 4.501 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC001460036354 1067535641 /nfs/dbraw/zinc/53/56/41/1067535641.db2.gz XPFAZZFXLNZCTB-REWPJTCUSA-N 0 0 455.558 4.793 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN(CCc3ccccn3)Cc3cccnc3)cs2)cc1 ZINC001460039327 1067536452 /nfs/dbraw/zinc/53/64/52/1067536452.db2.gz KHJDDUGKZCIUDQ-UHFFFAOYSA-N 0 0 457.603 4.668 20 0 JJADRN C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460040818 1067536615 /nfs/dbraw/zinc/53/66/15/1067536615.db2.gz SPZDJCOQFUNGIG-MWTRTKDXSA-N 0 0 456.512 4.768 20 0 JJADRN COC(=O)CN(CCCCCn1c(C)nc2ccccc21)Cc1cccc(Br)c1 ZINC001460053505 1067540142 /nfs/dbraw/zinc/54/01/42/1067540142.db2.gz YEWSXHGBJIOPRX-UHFFFAOYSA-N 0 0 458.400 4.953 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN3CC[C@@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056983 1067540936 /nfs/dbraw/zinc/54/09/36/1067540936.db2.gz SYOJTYJBRZXDJJ-GOSISDBHSA-N 0 0 451.592 4.872 20 0 JJADRN CC[C@H](NC(=O)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460059843 1067541867 /nfs/dbraw/zinc/54/18/67/1067541867.db2.gz NOEIEEZETXVQMB-FQEVSTJZSA-N 0 0 454.920 4.910 20 0 JJADRN O=C1[C@@H](N2CCC(O)(c3ccccc3C(F)(F)F)CC2)CCCN1c1ccccc1Cl ZINC001460059811 1067541887 /nfs/dbraw/zinc/54/18/87/1067541887.db2.gz NFRKDBDCMPIHCC-FQEVSTJZSA-N 0 0 452.904 4.838 20 0 JJADRN C[C@H](OC(=O)COc1cccc2cccnc21)c1ccc(F)c(I)c1 ZINC001460059524 1067541898 /nfs/dbraw/zinc/54/18/98/1067541898.db2.gz ANWVINXOJNGIRM-LBPRGKRZSA-N 0 0 451.235 4.662 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1 ZINC001460060529 1067542274 /nfs/dbraw/zinc/54/22/74/1067542274.db2.gz GGWCMZSDEADXBF-UHFFFAOYSA-N 0 0 459.289 4.574 20 0 JJADRN COc1cccc(C(F)(F)C(=O)O[C@H](C)c2ccc(F)c(I)c2)c1 ZINC001460061554 1067542442 /nfs/dbraw/zinc/54/24/42/1067542442.db2.gz JXONPOPFNCXYFU-SNVBAGLBSA-N 0 0 450.194 4.835 20 0 JJADRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc4ccc(Br)cc4s3)c2)C1=O ZINC001460062291 1067542543 /nfs/dbraw/zinc/54/25/43/1067542543.db2.gz NJXRYWSYLWLPFJ-HNNXBMFYSA-N 0 0 458.337 4.751 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1ccc(F)c(I)c1 ZINC001460062532 1067542878 /nfs/dbraw/zinc/54/28/78/1067542878.db2.gz PUCOPOWUAWWKRP-NRXGSXMXSA-N 0 0 454.279 4.825 20 0 JJADRN CCOC(=O)c1sc2[nH]c([C@H](C)N3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064493 1067543614 /nfs/dbraw/zinc/54/36/14/1067543614.db2.gz KCZKDLHTTGZQHN-LPHOPBHVSA-N 0 0 453.608 4.973 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(F)c(I)c1 ZINC001460064314 1067543711 /nfs/dbraw/zinc/54/37/11/1067543711.db2.gz ZWOFZHIPRWHXPV-UWVGGRQHSA-N 0 0 450.194 4.780 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN3CCCC[C@@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066292 1067544029 /nfs/dbraw/zinc/54/40/29/1067544029.db2.gz GHWDLMVDXJMYSL-OAQYLSRUSA-N 0 0 456.587 4.893 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070539 1067545509 /nfs/dbraw/zinc/54/55/09/1067545509.db2.gz QGHNMJJYMXCQRC-LJQANCHMSA-N 0 0 450.377 4.937 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460070996 1067545627 /nfs/dbraw/zinc/54/56/27/1067545627.db2.gz JRLXKJILHFBFOJ-CABCVRRESA-N 0 0 451.316 4.575 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2cccc(C)c2)CCS1 ZINC001546113657 1067545947 /nfs/dbraw/zinc/54/59/47/1067545947.db2.gz GNZZQEWIIYIIIP-FQEVSTJZSA-N 0 0 455.672 4.738 20 0 JJADRN COCC[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC001460073470 1067546941 /nfs/dbraw/zinc/54/69/41/1067546941.db2.gz BSPLTHMBCSYFTR-JOCHJYFZSA-N 0 0 458.480 4.873 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC001460077964 1067548102 /nfs/dbraw/zinc/54/81/02/1067548102.db2.gz FSSILFCMRLIMEL-SFHVURJKSA-N 0 0 451.355 4.831 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CN(C)Cc2nc(-c3cccs3)no2)c2cccs2)cc1 ZINC001460076887 1067548198 /nfs/dbraw/zinc/54/81/98/1067548198.db2.gz DHSMUFVWJIUVLV-JOCHJYFZSA-N 0 0 452.605 4.760 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC001460080306 1067548456 /nfs/dbraw/zinc/54/84/56/1067548456.db2.gz WAUHMKAIWZYFHE-QHCPKHFHSA-N 0 0 454.910 4.583 20 0 JJADRN COC(=O)c1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460083903 1067549669 /nfs/dbraw/zinc/54/96/69/1067549669.db2.gz XAYREKXYDMGZDV-SFHVURJKSA-N 0 0 454.741 4.594 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC001460084003 1067549707 /nfs/dbraw/zinc/54/97/07/1067549707.db2.gz LBBDDQUMTAXKLI-QAPCUYQASA-N 0 0 456.892 4.872 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCC(CC(F)(F)F)CC1 ZINC001460085111 1067550012 /nfs/dbraw/zinc/55/00/12/1067550012.db2.gz DXWMWPBRQFYNFT-UHFFFAOYSA-N 0 0 457.518 4.693 20 0 JJADRN FC(F)Oc1ccc(-n2nnnc2CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086211 1067550227 /nfs/dbraw/zinc/55/02/27/1067550227.db2.gz NEQSTSHCSSMHFI-HNNXBMFYSA-N 0 0 453.415 4.662 20 0 JJADRN CC[C@](NCc1ccc(OC)c(OC)c1Br)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088657 1067551221 /nfs/dbraw/zinc/55/12/21/1067551221.db2.gz FOHJLZQQJJHJMC-HXUWFJFHSA-N 0 0 456.764 4.688 20 0 JJADRN COc1ccc(CN2CCN(C(=O)CN(CC(C)C)[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088559 1067551288 /nfs/dbraw/zinc/55/12/88/1067551288.db2.gz JVDWESYJNAGOOE-OAQYLSRUSA-N 0 0 458.046 4.712 20 0 JJADRN CCc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1Cl ZINC001460090064 1067551758 /nfs/dbraw/zinc/55/17/58/1067551758.db2.gz OEUAGMVXBWBAGT-OAHLLOKOSA-N 0 0 450.808 4.814 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H](C)c2ccccc2)CCS1 ZINC001546113805 1067552171 /nfs/dbraw/zinc/55/21/71/1067552171.db2.gz LPARPNXPSHCOKI-NRFANRHFSA-N 0 0 485.698 4.794 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)NC1(c2ccccc2Br)CCCCC1 ZINC001460093838 1067552949 /nfs/dbraw/zinc/55/29/49/1067552949.db2.gz OUZZCUXZHFOUHF-PKNBQFBNSA-N 0 0 455.352 4.769 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)c(I)s1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001460096240 1067553526 /nfs/dbraw/zinc/55/35/26/1067553526.db2.gz DFRBFGJCPVFDPO-SDBXPKJASA-N 0 0 456.202 4.590 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1S(=O)(=O)NC1CCCC1 ZINC001460104260 1067555949 /nfs/dbraw/zinc/55/59/49/1067555949.db2.gz HTVYSXFMPUCDTI-UPVQGACJSA-N 0 0 454.636 4.920 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)ccc1Br ZINC001460106674 1067556290 /nfs/dbraw/zinc/55/62/90/1067556290.db2.gz ROJARXRNIGKEGC-ROUUACIJSA-N 0 0 450.398 4.556 20 0 JJADRN NC(=O)CCN(C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCOc2ccccc21 ZINC001460110297 1067556937 /nfs/dbraw/zinc/55/69/37/1067556937.db2.gz IELOHUWUESIJSU-MTMYEVCSSA-N 0 0 452.860 4.514 20 0 JJADRN Cc1ncc(Br)c(C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)n1 ZINC001460110277 1067557003 /nfs/dbraw/zinc/55/70/03/1067557003.db2.gz ARZFBERQXIYZHC-UHFFFAOYSA-N 0 0 456.525 4.764 20 0 JJADRN O=C(NCCOc1ccc(Cl)c(F)c1)c1cc(Cl)ccc1I ZINC001460113537 1067557670 /nfs/dbraw/zinc/55/76/70/1067557670.db2.gz NQNKAXIEJLTDLZ-UHFFFAOYSA-N 0 0 454.066 4.546 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cccn2)CCS1 ZINC001546113975 1067558346 /nfs/dbraw/zinc/55/83/46/1067558346.db2.gz QSIDQRDDCIVDIT-UHFFFAOYSA-N 0 0 481.670 4.546 20 0 JJADRN Cc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3Oc3cccc(Br)c3)nn21 ZINC001460116901 1067558691 /nfs/dbraw/zinc/55/86/91/1067558691.db2.gz RDJIRNDUBDGTOS-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)C2CC2)CCS1 ZINC001546113983 1067558700 /nfs/dbraw/zinc/55/87/00/1067558700.db2.gz RCVVXGTUZDPTAI-NRFANRHFSA-N 0 0 455.672 4.722 20 0 JJADRN O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(I)cc1Cl ZINC001460123744 1067559696 /nfs/dbraw/zinc/55/96/96/1067559696.db2.gz SPDAKGQEAHFOPD-LBPRGKRZSA-N 0 0 451.613 4.779 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125179 1067560147 /nfs/dbraw/zinc/56/01/47/1067560147.db2.gz FMZYYFUMLPJWPM-FGZHOGPDSA-N 0 0 457.412 4.807 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135165 1067561927 /nfs/dbraw/zinc/56/19/27/1067561927.db2.gz MPSVURDGCROPFU-VAMGGRTRSA-N 0 0 453.530 4.972 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N(CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137198 1067562393 /nfs/dbraw/zinc/56/23/93/1067562393.db2.gz GFLCURKXHBFSKJ-HTAPYJJXSA-N 0 0 458.624 4.840 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)N(CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137201 1067562426 /nfs/dbraw/zinc/56/24/26/1067562426.db2.gz GFLCURKXHBFSKJ-VGSWGCGISA-N 0 0 458.624 4.840 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001460144541 1067564144 /nfs/dbraw/zinc/56/41/44/1067564144.db2.gz KOAKCXIBWQYTBD-HOTGVXAUSA-N 0 0 451.445 4.747 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C)cc1OC ZINC001460144613 1067564149 /nfs/dbraw/zinc/56/41/49/1067564149.db2.gz UONATVYQGVVCGB-UHFFFAOYSA-N 0 0 457.958 4.613 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)noc2C)CCS1 ZINC001546114180 1067564156 /nfs/dbraw/zinc/56/41/56/1067564156.db2.gz XZMRHYCFLDEPIO-UHFFFAOYSA-N 0 0 482.654 4.912 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CCC=C(c3ccccn3)C1)C[C@H](C)CC2 ZINC001460147328 1067565037 /nfs/dbraw/zinc/56/50/37/1067565037.db2.gz RQWNFPCYYQRLRZ-IAGOWNOFSA-N 0 0 453.608 4.561 20 0 JJADRN CC(=O)N(c1nc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC001460147615 1067565041 /nfs/dbraw/zinc/56/50/41/1067565041.db2.gz HIQZDCRBXKRAOV-KDURUIRLSA-N 0 0 456.656 4.912 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001460148489 1067565170 /nfs/dbraw/zinc/56/51/70/1067565170.db2.gz FLVVXIRFZHYMPD-APWZRJJASA-N 0 0 453.421 4.924 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001460150699 1067565573 /nfs/dbraw/zinc/56/55/73/1067565573.db2.gz IQCTUNKHSBMDQQ-IOASZLSFSA-N 0 0 451.017 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001460150721 1067565608 /nfs/dbraw/zinc/56/56/08/1067565608.db2.gz KOSPJZUVKALNRQ-RYQLBKOJSA-N 0 0 456.505 4.985 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(Br)c1 ZINC001460157416 1067566928 /nfs/dbraw/zinc/56/69/28/1067566928.db2.gz GUBLFXBGSMJQLY-MOPGFXCFSA-N 0 0 453.739 4.686 20 0 JJADRN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460164575 1067567919 /nfs/dbraw/zinc/56/79/19/1067567919.db2.gz IABQVCREORBFTG-GOSISDBHSA-N 0 0 456.505 4.643 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br)C(C)(C)C ZINC001460162569 1067567997 /nfs/dbraw/zinc/56/79/97/1067567997.db2.gz AHFFUUJDGCIKGN-GOSISDBHSA-N 0 0 459.450 4.568 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1C ZINC001460161970 1067568016 /nfs/dbraw/zinc/56/80/16/1067568016.db2.gz YNQUVEMZPWDEJY-NRFANRHFSA-N 0 0 452.979 4.699 20 0 JJADRN COc1ccc([C@@H](OC(=O)c2ccc(I)cc2F)C(F)(F)F)cc1 ZINC001460167221 1067568441 /nfs/dbraw/zinc/56/84/41/1067568441.db2.gz KVBXGSPANPMJSH-CQSZACIVSA-N 0 0 454.157 4.899 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@]1(C)CC1(Cl)Cl)c1cccc(C(F)(F)F)c1 ZINC001460168047 1067568798 /nfs/dbraw/zinc/56/87/98/1067568798.db2.gz SPYPBTSCRZEPKL-DYVFJYSZSA-N 0 0 455.304 4.971 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]1(C)CC1(Cl)Cl)c1cccc(C(F)(F)F)c1 ZINC001460168051 1067568894 /nfs/dbraw/zinc/56/88/94/1067568894.db2.gz SPYPBTSCRZEPKL-SUMWQHHRSA-N 0 0 455.304 4.971 20 0 JJADRN C[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)c2ccc(C(C)(C)C)cc2)CCCC3)CCO1 ZINC001460169566 1067569271 /nfs/dbraw/zinc/56/92/71/1067569271.db2.gz AODFVLNSBKWKNW-KRWDZBQOSA-N 0 0 454.636 4.815 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 ZINC001460171148 1067569578 /nfs/dbraw/zinc/56/95/78/1067569578.db2.gz KZIKBFPVMBRSNA-UHFFFAOYSA-N 0 0 451.792 4.990 20 0 JJADRN O=C(CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCN(Cc2ccsc2)CC1 ZINC001460171619 1067569594 /nfs/dbraw/zinc/56/95/94/1067569594.db2.gz KHYZEHWYWVPJJZ-UHFFFAOYSA-N 0 0 452.451 4.579 20 0 JJADRN Cc1nc(C(F)(F)F)c(CN[C@H](C)c2ccc(Br)cc2OCCCO)s1 ZINC001460171242 1067569626 /nfs/dbraw/zinc/56/96/26/1067569626.db2.gz IXAKMVONRGMXBV-SNVBAGLBSA-N 0 0 453.324 4.845 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC001460175798 1067571075 /nfs/dbraw/zinc/57/10/75/1067571075.db2.gz CYVQBZDURKSJIR-JLTOFOAXSA-N 0 0 453.327 4.542 20 0 JJADRN CC[C@@H](CO)N(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176903 1067571603 /nfs/dbraw/zinc/57/16/03/1067571603.db2.gz HDSZAEOBEZWJEY-IBGZPJMESA-N 0 0 456.652 4.797 20 0 JJADRN COC(=O)c1cc(C(C)(C)NCC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)no1 ZINC001460178088 1067571893 /nfs/dbraw/zinc/57/18/93/1067571893.db2.gz WTKWIDLHCYSYNQ-UHFFFAOYSA-N 0 0 453.564 4.693 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177895 1067571938 /nfs/dbraw/zinc/57/19/38/1067571938.db2.gz BQPPQZWXPNXEFA-RUZDIDTESA-N 0 0 453.583 4.784 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177897 1067571974 /nfs/dbraw/zinc/57/19/74/1067571974.db2.gz BQPPQZWXPNXEFA-VWLOTQADSA-N 0 0 453.583 4.784 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N(c2ccc(Br)cc2)C2CC2)CC1 ZINC001460182449 1067573152 /nfs/dbraw/zinc/57/31/52/1067573152.db2.gz NRFWLVQPENNRHA-MLPAPPSSSA-N 0 0 453.380 4.897 20 0 JJADRN O=C(CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001460182861 1067573483 /nfs/dbraw/zinc/57/34/83/1067573483.db2.gz YDQJCRXHCCSDSB-JKSUJKDBSA-N 0 0 458.868 4.759 20 0 JJADRN CCC[C@]1(CO)CCN(CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185754 1067574265 /nfs/dbraw/zinc/57/42/65/1067574265.db2.gz OQFKUYCNDUHECX-SANMLTNESA-N 0 0 451.636 4.931 20 0 JJADRN COc1c(F)cc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c(OC)c1F ZINC001460185575 1067574294 /nfs/dbraw/zinc/57/42/94/1067574294.db2.gz DOUDCEMERVVTRA-KRWDZBQOSA-N 0 0 455.299 4.520 20 0 JJADRN COC[C@@H](CNC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccc(Cl)cc1 ZINC001460186973 1067574630 /nfs/dbraw/zinc/57/46/30/1067574630.db2.gz JCEFSOLZOFNXAG-HSZRJFAPSA-N 0 0 450.966 4.738 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(Br)cc2F)cc1OC ZINC001460190492 1067575327 /nfs/dbraw/zinc/57/53/27/1067575327.db2.gz SVGMHGZFGSXLSQ-UONOGXRCSA-N 0 0 453.352 4.524 20 0 JJADRN COC[C@H]([NH2+]Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1cccc(Cl)c1 ZINC001460195986 1067576594 /nfs/dbraw/zinc/57/65/94/1067576594.db2.gz JUIFSRLXLVZVMQ-IBGZPJMESA-N 0 0 455.967 4.791 20 0 JJADRN CC(C)[C@@H]1C[C@H](CNC(=O)CCCCCc2ccc(I)cc2)CCO1 ZINC001460198637 1067577160 /nfs/dbraw/zinc/57/71/60/1067577160.db2.gz DRPHYQYVSFHFBD-QUCCMNQESA-N 0 0 457.396 4.962 20 0 JJADRN CC(C)[C@H]1C[C@@H](CNC(=O)CCCCCc2ccc(I)cc2)CCO1 ZINC001460198632 1067577228 /nfs/dbraw/zinc/57/72/28/1067577228.db2.gz DRPHYQYVSFHFBD-AZUAARDMSA-N 0 0 457.396 4.962 20 0 JJADRN CC(C)[C@@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC001460199118 1067577304 /nfs/dbraw/zinc/57/73/04/1067577304.db2.gz FBHAKMYNQPTFAB-KHNCNGADSA-N 0 0 452.998 4.735 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)N2CCN(c3nccc4sccc43)CC2)c(Br)c1 ZINC001460199594 1067577645 /nfs/dbraw/zinc/57/76/45/1067577645.db2.gz XYKAJSABJWBNML-HNNXBMFYSA-N 0 0 459.413 4.516 20 0 JJADRN O=C(CCN1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccccc1Br ZINC001460200628 1067577842 /nfs/dbraw/zinc/57/78/42/1067577842.db2.gz AHHWDQJZPSEAPK-QGZVFWFLSA-N 0 0 453.178 4.772 20 0 JJADRN Cc1ccc(CC2CCN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)CC2)cc1C ZINC001460200947 1067577933 /nfs/dbraw/zinc/57/79/33/1067577933.db2.gz YOGKSLQOJNMHSE-UHFFFAOYSA-N 0 0 452.599 4.679 20 0 JJADRN NC(=O)c1c(NC(=O)CN[C@H](c2c(Cl)cccc2Cl)C2CC2)sc2c1CCCC2 ZINC001460200883 1067577951 /nfs/dbraw/zinc/57/79/51/1067577951.db2.gz XEEWCGFPRJJBTQ-IBGZPJMESA-N 0 0 452.407 4.712 20 0 JJADRN O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCOc1ccc(F)c(Cl)c1 ZINC001460203957 1067578315 /nfs/dbraw/zinc/57/83/15/1067578315.db2.gz LQSJEJQCDSHOFX-UHFFFAOYSA-N 0 0 457.914 4.970 20 0 JJADRN Cn1nc(-c2cccnc2)cc1C(=O)NCC1(c2ccccc2Br)CCCCC1 ZINC001460206144 1067578652 /nfs/dbraw/zinc/57/86/52/1067578652.db2.gz KJWWUQUNZLXGAN-UHFFFAOYSA-N 0 0 453.384 4.877 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001460206637 1067579049 /nfs/dbraw/zinc/57/90/49/1067579049.db2.gz MCANEGCQALCOHY-UHFFFAOYSA-N 0 0 456.617 4.949 20 0 JJADRN CCOC(=O)c1sc(NC(=O)C2(SC)CCC2)nc1-c1ccc(Br)cc1 ZINC001460211486 1067580521 /nfs/dbraw/zinc/58/05/21/1067580521.db2.gz NUJUKFPRTYZPGJ-UHFFFAOYSA-N 0 0 455.399 4.974 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)nc1-c1ccc(Br)cc1 ZINC001460212078 1067580687 /nfs/dbraw/zinc/58/06/87/1067580687.db2.gz QAGCJEMSBGGDGY-FIXISWKDSA-N 0 0 453.358 4.501 20 0 JJADRN Cc1csc(CNC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 ZINC001460220443 1067582753 /nfs/dbraw/zinc/58/27/53/1067582753.db2.gz PLGPIUIEZLHGHG-UHFFFAOYSA-N 0 0 450.589 4.625 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460219681 1067582801 /nfs/dbraw/zinc/58/28/01/1067582801.db2.gz FOQRGCPIDZCVIC-YJBOKZPZSA-N 0 0 456.505 4.737 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCOC)CCS1 ZINC001546114806 1067582976 /nfs/dbraw/zinc/58/29/76/1067582976.db2.gz HDCXYOYBDDMQDQ-UHFFFAOYSA-N 0 0 456.612 4.876 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CCS1 ZINC001546114813 1067583185 /nfs/dbraw/zinc/58/31/85/1067583185.db2.gz HJEIQOQEGZUOHU-OAQYLSRUSA-N 0 0 451.036 4.516 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN3CCC([C@@H](O)c4cc(F)ccc4F)CC3)cs2)c1 ZINC001460224668 1067583777 /nfs/dbraw/zinc/58/37/77/1067583777.db2.gz OJAOCRSNPIKDDQ-JOCHJYFZSA-N 0 0 458.530 4.821 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1Br ZINC001460226079 1067583847 /nfs/dbraw/zinc/58/38/47/1067583847.db2.gz CCPRNDOWBVIWCB-CYBMUJFWSA-N 0 0 459.157 4.720 20 0 JJADRN O=C(NCc1c(Br)cncc1Br)c1cc(Cl)cc2cccnc21 ZINC001460227382 1067584239 /nfs/dbraw/zinc/58/42/39/1067584239.db2.gz NCJSHPVYLXLQQS-UHFFFAOYSA-N 0 0 455.537 4.738 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)n1 ZINC001460228854 1067584605 /nfs/dbraw/zinc/58/46/05/1067584605.db2.gz VZAJOWUJMRYJIO-ZDUSSCGKSA-N 0 0 459.157 4.720 20 0 JJADRN CC(C)c1ncncc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460231073 1067585397 /nfs/dbraw/zinc/58/53/97/1067585397.db2.gz JMMHQYMWCUIOHU-UYAOXDASSA-N 0 0 456.562 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001460231360 1067585405 /nfs/dbraw/zinc/58/54/05/1067585405.db2.gz KFRHPJIFHHNNBC-AKIFATBCSA-N 0 0 468.569 4.676 20 0 JJADRN Cc1cc(CNC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)ccn1 ZINC001460232326 1067585702 /nfs/dbraw/zinc/58/57/02/1067585702.db2.gz VVFGDDJYSHYRQI-UHFFFAOYSA-N 0 0 457.502 4.652 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccn[nH]2)CCS1 ZINC001546114947 1067585924 /nfs/dbraw/zinc/58/59/24/1067585924.db2.gz LXVYABCOBHXRAP-UHFFFAOYSA-N 0 0 495.697 4.508 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)N(C)CCCOC(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC001460234217 1067586597 /nfs/dbraw/zinc/58/65/97/1067586597.db2.gz IFZRGEKNLMERJM-JYFHCDHNSA-N 0 0 452.595 4.761 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)N(C)CCCOC(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC001460234219 1067586623 /nfs/dbraw/zinc/58/66/23/1067586623.db2.gz IFZRGEKNLMERJM-OZXSUGGESA-N 0 0 452.595 4.761 20 0 JJADRN NC(=O)COc1cccc2c1CCCN2C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001460233945 1067586651 /nfs/dbraw/zinc/58/66/51/1067586651.db2.gz LVDQVVHVQAEUTR-DEOSSOPVSA-N 0 0 450.535 4.503 20 0 JJADRN O=C(CN1CCC(Cc2cc(F)ccc2F)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460237052 1067587415 /nfs/dbraw/zinc/58/74/15/1067587415.db2.gz UXWLXFWQTBVGRL-UHFFFAOYSA-N 0 0 455.549 4.530 20 0 JJADRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001460238484 1067587670 /nfs/dbraw/zinc/58/76/70/1067587670.db2.gz FTGQNOPJYWTCLM-ZSZQSSIHSA-N 0 0 453.505 4.793 20 0 JJADRN O=C(CN1CCC[C@H](N2CCCC2=O)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460237601 1067587705 /nfs/dbraw/zinc/58/77/05/1067587705.db2.gz BFRUITYKUHKXEL-NSHDSACASA-N 0 0 453.197 4.716 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N(C)C[C@H](O)c1cccc(Br)c1 ZINC001460238518 1067588159 /nfs/dbraw/zinc/58/81/59/1067588159.db2.gz QLGPIEKMKVVADJ-MFEFFIJZSA-N 0 0 455.396 4.833 20 0 JJADRN CN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240111 1067588612 /nfs/dbraw/zinc/58/86/12/1067588612.db2.gz WQJYUNBYKKOCOK-QHCPKHFHSA-N 0 0 453.380 4.644 20 0 JJADRN Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460239631 1067588769 /nfs/dbraw/zinc/58/87/69/1067588769.db2.gz IPWLVBWGTUBMTB-GHTZIAJQSA-N 0 0 461.965 4.719 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(I)c(F)c3)C2)cc1 ZINC001460244262 1067589853 /nfs/dbraw/zinc/58/98/53/1067589853.db2.gz YRRDZZTVQJKACB-HNNXBMFYSA-N 0 0 453.295 4.534 20 0 JJADRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001460245193 1067590252 /nfs/dbraw/zinc/59/02/52/1067590252.db2.gz FQTJUPJDDKRCIB-QGZVFWFLSA-N 0 0 450.649 4.529 20 0 JJADRN Cc1ccc2nc(C(=O)N3CC[C@@H](Cc4cccc(I)c4)C3)ccc2c1 ZINC001460248963 1067591155 /nfs/dbraw/zinc/59/11/55/1067591155.db2.gz LSPJAHHQBNWPSE-KRWDZBQOSA-N 0 0 456.327 4.853 20 0 JJADRN CCc1cc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCC2)c2c(CC(C)(C)C)noc2n1 ZINC001460250904 1067591469 /nfs/dbraw/zinc/59/14/69/1067591469.db2.gz OQUMBZKETKHZJZ-UHFFFAOYSA-N 0 0 458.603 4.893 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001460253864 1067591934 /nfs/dbraw/zinc/59/19/34/1067591934.db2.gz ADMREOLSGRPBOA-UHFFFAOYSA-N 0 0 453.292 4.740 20 0 JJADRN Cc1ccnc2ccc(C(=O)N3CC[C@@H](Cc4cccc(I)c4)C3)cc12 ZINC001460256696 1067592204 /nfs/dbraw/zinc/59/22/04/1067592204.db2.gz ZSQXNJJIHGMGOK-KRWDZBQOSA-N 0 0 456.327 4.853 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001460259577 1067592869 /nfs/dbraw/zinc/59/28/69/1067592869.db2.gz WTVJGGBYWBOWLH-UHFFFAOYSA-N 0 0 455.308 4.922 20 0 JJADRN COC1(C(F)(F)F)CCN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC001460262071 1067593228 /nfs/dbraw/zinc/59/32/28/1067593228.db2.gz FZTNSMJYLNPLRH-UHFFFAOYSA-N 0 0 450.505 4.512 20 0 JJADRN Cc1cc(NC(=O)COc2ccc(Cl)c3ccccc23)ncc1I ZINC001460262742 1067593265 /nfs/dbraw/zinc/59/32/65/1067593265.db2.gz MYAIJZHFMHKWMF-UHFFFAOYSA-N 0 0 452.679 4.819 20 0 JJADRN CC[C@@H](C)n1c2ccc(NC(=O)[C@H]3CC(=O)N(CC)[C@@H]3c3cccnc3)cc2nc1C(F)(F)F ZINC001460269857 1067594318 /nfs/dbraw/zinc/59/43/18/1067594318.db2.gz RFYSXMMOUMYIDP-DAESXHAQSA-N 0 0 473.499 4.969 20 0 JJADRN O=C(c1nnn(-c2ccccc2)c1C(F)F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460270593 1067594510 /nfs/dbraw/zinc/59/45/10/1067594510.db2.gz XLTBVOOPKALXAK-UHFFFAOYSA-N 0 0 457.428 4.700 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccc(Cl)cc1 ZINC001460270369 1067594600 /nfs/dbraw/zinc/59/46/00/1067594600.db2.gz RSKNKTLQVMKXPD-INIZCTEOSA-N 0 0 459.921 4.789 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN2CCC[C@H]2Cc2ccccc2Br)cc1 ZINC001460274849 1067595734 /nfs/dbraw/zinc/59/57/34/1067595734.db2.gz YVJPIQZVCSPLHD-QFIPXVFZSA-N 0 0 459.428 4.697 20 0 JJADRN CC(C)c1sc(NC(=O)CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)nc1-c1ccccc1 ZINC001460278124 1067596013 /nfs/dbraw/zinc/59/60/13/1067596013.db2.gz FFDBSEDXIAREBF-RTBURBONSA-N 0 0 470.639 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC001460278219 1067596716 /nfs/dbraw/zinc/59/67/16/1067596716.db2.gz GUAMHQPDYMKGSK-DNVCBOLYSA-N 0 0 450.004 4.817 20 0 JJADRN O=C(CN1CCC(c2nc3c(s2)CCCC3)CC1)NCCc1cccc(Cl)c1Cl ZINC001460281335 1067597588 /nfs/dbraw/zinc/59/75/88/1067597588.db2.gz VJBDXMNZWSNOMF-UHFFFAOYSA-N 0 0 452.451 4.867 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC001460284539 1067598217 /nfs/dbraw/zinc/59/82/17/1067598217.db2.gz SGXHEQCSQOOAPP-LJQANCHMSA-N 0 0 458.486 4.670 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc3cc(OC)c(OC)cc3c2)sc1C(F)(F)F ZINC001460284611 1067598250 /nfs/dbraw/zinc/59/82/50/1067598250.db2.gz STSTXWWPICQIDD-UHFFFAOYSA-N 0 0 454.426 4.761 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1S(=O)(=O)C1CCCC1 ZINC001460284722 1067598288 /nfs/dbraw/zinc/59/82/88/1067598288.db2.gz GLFNPMJUNHEQNK-OALUTQOASA-N 0 0 456.608 4.577 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460285565 1067598615 /nfs/dbraw/zinc/59/86/15/1067598615.db2.gz JXEZSRDYLCLBOS-HNNXBMFYSA-N 0 0 450.398 4.893 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)nnn1-c1ccccc1Cl ZINC001460286995 1067598874 /nfs/dbraw/zinc/59/88/74/1067598874.db2.gz OPQSZJOAYVSQCM-MRXNPFEDSA-N 0 0 459.775 4.696 20 0 JJADRN CCOC(=O)c1nc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)sc1C(F)(F)F ZINC001460286482 1067598887 /nfs/dbraw/zinc/59/88/87/1067598887.db2.gz ZVUPZRBKLKRUCA-UHFFFAOYSA-N 0 0 456.364 4.809 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1S(=O)(=O)C1CCCC1 ZINC001460287392 1067599277 /nfs/dbraw/zinc/59/92/77/1067599277.db2.gz QDVDPBMPQATARG-UHFFFAOYSA-N 0 0 452.580 4.668 20 0 JJADRN COc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1Br ZINC001460288907 1067599592 /nfs/dbraw/zinc/59/95/92/1067599592.db2.gz XVLRRMJFDRYGOE-AWEZNQCLSA-N 0 0 453.174 4.925 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001460289143 1067599706 /nfs/dbraw/zinc/59/97/06/1067599706.db2.gz AMKMQDVREMSFSQ-KRWDZBQOSA-N 0 0 457.449 4.685 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293200 1067600466 /nfs/dbraw/zinc/60/04/66/1067600466.db2.gz FGMMZWHGQZVRHN-QRWLVFNGSA-N 0 0 457.640 4.974 20 0 JJADRN O=C(CN1CCN(c2c(F)cccc2F)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001460294888 1067600655 /nfs/dbraw/zinc/60/06/55/1067600655.db2.gz JWGBLHXAAQDVNO-FQEVSTJZSA-N 0 0 454.348 4.757 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC001460306440 1067603762 /nfs/dbraw/zinc/60/37/62/1067603762.db2.gz BFWSNWRBQGMFMH-INIZCTEOSA-N 0 0 452.352 4.813 20 0 JJADRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc(I)cc1 ZINC001460306778 1067603776 /nfs/dbraw/zinc/60/37/76/1067603776.db2.gz FFKQWFCVOBWCES-UHFFFAOYSA-N 0 0 455.299 4.501 20 0 JJADRN CC(=O)Nc1cccc2c1CCN(Cc1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2 ZINC001460306888 1067603781 /nfs/dbraw/zinc/60/37/81/1067603781.db2.gz BMEUACMSTNSFRK-UHFFFAOYSA-N 0 0 454.983 4.998 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(Cl)ccc1I ZINC001460307345 1067604241 /nfs/dbraw/zinc/60/42/41/1067604241.db2.gz IDUCQGKOGNTFFY-SNVBAGLBSA-N 0 0 452.720 4.529 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1 ZINC001460308700 1067604598 /nfs/dbraw/zinc/60/45/98/1067604598.db2.gz SYWLRLISLVZELD-UHFFFAOYSA-N 0 0 459.546 4.617 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2I)cc1 ZINC001460309355 1067604625 /nfs/dbraw/zinc/60/46/25/1067604625.db2.gz YBZZFKPFZHVFLE-UHFFFAOYSA-N 0 0 456.711 4.679 20 0 JJADRN COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001460308735 1067604688 /nfs/dbraw/zinc/60/46/88/1067604688.db2.gz REPOSYOROVLRRY-OFAXGOBFSA-N 0 0 476.598 4.759 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(F)(F)F ZINC001460310642 1067605110 /nfs/dbraw/zinc/60/51/10/1067605110.db2.gz ROAZWBJKPHRQQO-LBPRGKRZSA-N 0 0 455.264 4.589 20 0 JJADRN CCc1csc(CC2CCN([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC2)n1 ZINC001460316003 1067606380 /nfs/dbraw/zinc/60/63/80/1067606380.db2.gz NRTJFCIPNLMYPL-LJQANCHMSA-N 0 0 453.530 4.664 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)OCc1cn(CC(F)(F)c2ccccc2)nn1 ZINC001460319289 1067606699 /nfs/dbraw/zinc/60/66/99/1067606699.db2.gz SRVHOGBSRSQMRX-UHFFFAOYSA-N 0 0 455.383 4.645 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317714 1067606721 /nfs/dbraw/zinc/60/67/21/1067606721.db2.gz NHJCNDYEJYOWPG-UIFIKXQLSA-N 0 0 459.562 4.908 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1)[C@H]1C[C@H]1C ZINC001460320233 1067607341 /nfs/dbraw/zinc/60/73/41/1067607341.db2.gz DGSQTWBOARQLDK-SZNDQCEHSA-N 0 0 453.340 4.648 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC001460332823 1067609912 /nfs/dbraw/zinc/60/99/12/1067609912.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 0 0 457.928 4.882 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN(CCO)c2cccc(C(C)C)c2)sc2c1CC[C@@H](C)C2 ZINC001460334918 1067610340 /nfs/dbraw/zinc/61/03/40/1067610340.db2.gz ZCZZBOHHVDDJDM-QGZVFWFLSA-N 0 0 458.624 4.610 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338376 1067611429 /nfs/dbraw/zinc/61/14/29/1067611429.db2.gz BDNGBCCAEROITD-KRWDZBQOSA-N 0 0 450.377 4.509 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCc2ccccc2[C@H](C)C1 ZINC001460339131 1067611448 /nfs/dbraw/zinc/61/14/48/1067611448.db2.gz GOKUXWNXMMPZLA-MRXNPFEDSA-N 0 0 451.592 4.690 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c1C ZINC001460340948 1067611933 /nfs/dbraw/zinc/61/19/33/1067611933.db2.gz ANVKKLVUZXPRPM-IVZQSRNASA-N 0 0 459.468 4.810 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1cc2cc(F)ccc2o1 ZINC001460347010 1067613360 /nfs/dbraw/zinc/61/33/60/1067613360.db2.gz WIZIAGQSJNJCAX-UHFFFAOYSA-N 0 0 450.279 4.995 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1=O ZINC001460344646 1067613485 /nfs/dbraw/zinc/61/34/85/1067613485.db2.gz QUSZLNFTHCMXHP-ZWKOTPCHSA-N 0 0 450.970 4.709 20 0 JJADRN COCCOCc1ccc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 ZINC001460348215 1067613660 /nfs/dbraw/zinc/61/36/60/1067613660.db2.gz DCUFWDPCWYDVQG-UHFFFAOYSA-N 0 0 452.776 4.727 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1scnc1Br ZINC001460350015 1067614232 /nfs/dbraw/zinc/61/42/32/1067614232.db2.gz KSYOGONRLGLSHQ-UHFFFAOYSA-N 0 0 450.583 4.783 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)NC3CCC(CS(C)(=O)=O)CC3)c2cc1C ZINC001460348374 1067614239 /nfs/dbraw/zinc/61/42/39/1067614239.db2.gz CROCHYKIYSFMST-UHFFFAOYSA-N 0 0 450.604 4.852 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)nc1 ZINC001460350468 1067614451 /nfs/dbraw/zinc/61/44/51/1067614451.db2.gz TZEDAXKZMOXAPG-IBGZPJMESA-N 0 0 451.331 4.551 20 0 JJADRN CCO[C@@H]1CN(Cc2cc(Cl)c(C)cc2Br)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460352396 1067615034 /nfs/dbraw/zinc/61/50/34/1067615034.db2.gz PWJULJKCYZEFSM-CRAIPNDOSA-N 0 0 461.828 4.773 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1 ZINC001460352675 1067615089 /nfs/dbraw/zinc/61/50/89/1067615089.db2.gz VGTCIHBKSTVMDE-LJQANCHMSA-N 0 0 451.331 4.551 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC001460355170 1067615793 /nfs/dbraw/zinc/61/57/93/1067615793.db2.gz AXBTZGRSBGWVRI-DJYGDJEFSA-N 0 0 455.023 4.985 20 0 JJADRN C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001460357252 1067616931 /nfs/dbraw/zinc/61/69/31/1067616931.db2.gz KRMOFFAZCSRZBC-AWEZNQCLSA-N 0 0 455.287 4.878 20 0 JJADRN COCc1cc(NC(=O)CCCCOc2ccc(Br)cc2)cc(C(=O)OC)c1 ZINC001460361708 1067618301 /nfs/dbraw/zinc/61/83/01/1067618301.db2.gz FPJMZUPJLUAAQL-UHFFFAOYSA-N 0 0 450.329 4.570 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001460361771 1067618316 /nfs/dbraw/zinc/61/83/16/1067618316.db2.gz DUALPZKVYBFFCN-ORAYPTAESA-N 0 0 473.289 4.748 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC001460361447 1067618324 /nfs/dbraw/zinc/61/83/24/1067618324.db2.gz WBFYGAIAHUNRHS-FQEVSTJZSA-N 0 0 453.516 4.752 20 0 JJADRN CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001460366669 1067619406 /nfs/dbraw/zinc/61/94/06/1067619406.db2.gz WPVMWAUQOUQEBN-HXUWFJFHSA-N 0 0 459.377 4.660 20 0 JJADRN CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001460366664 1067619441 /nfs/dbraw/zinc/61/94/41/1067619441.db2.gz WPVMWAUQOUQEBN-FQEVSTJZSA-N 0 0 459.377 4.660 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460371208 1067620562 /nfs/dbraw/zinc/62/05/62/1067620562.db2.gz YBBNFYQJBYIRRK-UHFFFAOYSA-N 0 0 450.348 4.655 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC001460373314 1067620892 /nfs/dbraw/zinc/62/08/92/1067620892.db2.gz JCEXKCBYVMJGDM-ZOCZFRKYSA-N 0 0 450.476 4.892 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001460374496 1067621337 /nfs/dbraw/zinc/62/13/37/1067621337.db2.gz AFJCEJWYEVYZLD-FUHWJXTLSA-N 0 0 454.901 4.938 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1OC1CCCC1 ZINC001460376672 1067621647 /nfs/dbraw/zinc/62/16/47/1067621647.db2.gz PKCATRFNDSPBGW-HTAPYJJXSA-N 0 0 454.542 4.638 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC1CCCC1 ZINC001460376501 1067621696 /nfs/dbraw/zinc/62/16/96/1067621696.db2.gz OQBKAKAVIQPBDN-HTAPYJJXSA-N 0 0 454.542 4.638 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1OC1CCCC1 ZINC001460376675 1067621735 /nfs/dbraw/zinc/62/17/35/1067621735.db2.gz PKCATRFNDSPBGW-JTSKRJEESA-N 0 0 454.542 4.638 20 0 JJADRN CCc1nc(C)c(CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)o1 ZINC001460378378 1067622032 /nfs/dbraw/zinc/62/20/32/1067622032.db2.gz DTSZEUIMPIIGCR-UHFFFAOYSA-N 0 0 451.324 4.848 20 0 JJADRN Cc1sc2ncn(CCC(=O)Nc3cccc(-c4ccc(F)cc4Cl)n3)c(=O)c2c1C ZINC001460381744 1067622774 /nfs/dbraw/zinc/62/27/74/1067622774.db2.gz PMECCIJJAQPUEH-UHFFFAOYSA-N 0 0 456.930 4.958 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460382839 1067622802 /nfs/dbraw/zinc/62/28/02/1067622802.db2.gz SJQKJBYJLZKDSF-UHFFFAOYSA-N 0 0 455.480 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001460388443 1067624269 /nfs/dbraw/zinc/62/42/69/1067624269.db2.gz GPDVMZAGWYWKPT-QGZVFWFLSA-N 0 0 454.958 4.835 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC001546115946 1067624273 /nfs/dbraw/zinc/62/42/73/1067624273.db2.gz BBSHITBSYWNYES-GOSISDBHSA-N 0 0 497.631 4.950 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)c(Cl)c1 ZINC001460388718 1067624301 /nfs/dbraw/zinc/62/43/01/1067624301.db2.gz OQQFENJAQBKQPE-UHFFFAOYSA-N 0 0 451.972 4.724 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001460390317 1067624478 /nfs/dbraw/zinc/62/44/78/1067624478.db2.gz UXGOMURVDWJDBL-UHFFFAOYSA-N 0 0 454.013 4.804 20 0 JJADRN O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001460389089 1067624529 /nfs/dbraw/zinc/62/45/29/1067624529.db2.gz QEUDROGVERACAQ-UHFFFAOYSA-N 0 0 456.391 4.908 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)c2ccccc2OCc2ccccc2Cl)c(OC)c1 ZINC001460390640 1067624589 /nfs/dbraw/zinc/62/45/89/1067624589.db2.gz HVFYGWCEZHXXKU-UHFFFAOYSA-N 0 0 453.922 4.687 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001460391268 1067624942 /nfs/dbraw/zinc/62/49/42/1067624942.db2.gz 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COc1cnc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 ZINC001460596327 1067665049 /nfs/dbraw/zinc/66/50/49/1067665049.db2.gz LWLYFBKAPWUBRR-MRXNPFEDSA-N 0 0 456.381 4.655 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1nnc(-c2cccc(Cl)c2)o1 ZINC001460594813 1067665091 /nfs/dbraw/zinc/66/50/91/1067665091.db2.gz KNWIQSYJIDUFTB-KRWDZBQOSA-N 0 0 454.741 4.961 20 0 JJADRN COc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc(OC)c1C ZINC001460596925 1067665576 /nfs/dbraw/zinc/66/55/76/1067665576.db2.gz JVKNCQJDSNTXKH-UHFFFAOYSA-N 0 0 457.264 4.787 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1)c1ccc(C)cc1 ZINC001460596562 1067665581 /nfs/dbraw/zinc/66/55/81/1067665581.db2.gz UIVHGQIJOMCNJB-OYRHEFFESA-N 0 0 456.612 4.720 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)CC2=O)cc1 ZINC001460596986 1067665600 /nfs/dbraw/zinc/66/56/00/1067665600.db2.gz KUWDEKMQVVKZJV-QGZVFWFLSA-N 0 0 456.468 4.835 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)N[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001460598244 1067665940 /nfs/dbraw/zinc/66/59/40/1067665940.db2.gz SISGZIGYACXTBV-VXKWHMMOSA-N 0 0 459.464 4.837 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1sc(-c2ccc(C)cc2F)nc1C)c1cccc(OC)c1 ZINC001460600049 1067666376 /nfs/dbraw/zinc/66/63/76/1067666376.db2.gz SWTTUSDKTYOALV-DEOSSOPVSA-N 0 0 456.539 4.783 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1cccc(OC)c1 ZINC001460600964 1067667023 /nfs/dbraw/zinc/66/70/23/1067667023.db2.gz VZZCIASACDWUCC-DEOSSOPVSA-N 0 0 454.910 4.744 20 0 JJADRN Cc1ccc(I)cc1C(=O)O[C@H]1CCc2cc(Br)cnc21 ZINC001460602600 1067667373 /nfs/dbraw/zinc/66/73/73/1067667373.db2.gz CRAWOYWIYAUYRM-AWEZNQCLSA-N 0 0 458.093 4.601 20 0 JJADRN C[C@H]1[C@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001460602733 1067667486 /nfs/dbraw/zinc/66/74/86/1067667486.db2.gz APQUPHAEADFNBI-SWLSCSKDSA-N 0 0 456.440 4.614 20 0 JJADRN CC(C)N(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H](C)c1ccccc1 ZINC001460601944 1067667502 /nfs/dbraw/zinc/66/75/02/1067667502.db2.gz BAOPYYNQWGZCOC-QGZVFWFLSA-N 0 0 456.384 4.518 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(CCOC2CCSCC2)c2ccc(Br)cc21 ZINC001460603380 1067668108 /nfs/dbraw/zinc/66/81/08/1067668108.db2.gz CRCMPTSXJRPQCV-QGZVFWFLSA-N 0 0 456.446 4.997 20 0 JJADRN COc1ccc(C(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c2ccc(OC)cc2)cc1 ZINC001460605747 1067669189 /nfs/dbraw/zinc/66/91/89/1067669189.db2.gz JJAJNZQOXLYTFL-HSZRJFAPSA-N 0 0 454.929 4.981 20 0 JJADRN COC(=O)C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 ZINC001460607507 1067670135 /nfs/dbraw/zinc/67/01/35/1067670135.db2.gz UANFJHFHASLUFL-KRWDZBQOSA-N 0 0 455.502 4.764 20 0 JJADRN O[C@H](CN1CCC[C@H]1c1ccc(Br)cc1Cl)c1cc(Br)no1 ZINC001460607930 1067670156 /nfs/dbraw/zinc/67/01/56/1067670156.db2.gz RGTQOSVHVVCGDF-QWHCGFSZSA-N 0 0 450.558 4.724 20 0 JJADRN Cc1c(C(=O)N(C(C)C)[C@H](C)c2ccccc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460608931 1067670769 /nfs/dbraw/zinc/67/07/69/1067670769.db2.gz RUFCNTNZZOQASN-GOSISDBHSA-N 0 0 455.603 4.770 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC001460610791 1067671325 /nfs/dbraw/zinc/67/13/25/1067671325.db2.gz NXNBAWOQEOCOBK-JKSUJKDBSA-N 0 0 454.752 4.633 20 0 JJADRN CCc1nc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)nn1-c1ccccc1 ZINC001460611773 1067671907 /nfs/dbraw/zinc/67/19/07/1067671907.db2.gz ZUZRONODRLDOSY-CALCHBBNSA-N 0 0 457.500 4.588 20 0 JJADRN CC(C)(C)c1ncc(/C=C/C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)s1 ZINC001460620683 1067675251 /nfs/dbraw/zinc/67/52/51/1067675251.db2.gz VDKSBUKYJUOSHR-BQYQJAHWSA-N 0 0 450.486 4.925 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)Nc3nccn3Cc3ccc(Br)cc3)cs2)o1 ZINC001460628928 1067677919 /nfs/dbraw/zinc/67/79/19/1067677919.db2.gz AESDZBQBRQDEES-UHFFFAOYSA-N 0 0 457.353 4.900 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001460630034 1067677987 /nfs/dbraw/zinc/67/79/87/1067677987.db2.gz KHUKXWZCCWGVIB-AWEZNQCLSA-N 0 0 453.764 4.725 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1ccc(Br)cc1F ZINC001460630651 1067678434 /nfs/dbraw/zinc/67/84/34/1067678434.db2.gz NBNNVFCDFKKPRD-UHFFFAOYSA-N 0 0 453.109 4.848 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H](C)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460631116 1067678471 /nfs/dbraw/zinc/67/84/71/1067678471.db2.gz ASOGAJRPHDDDNO-LSDHHAIUSA-N 0 0 455.498 4.957 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C2CCC2)CCS1 ZINC001546117830 1067678508 /nfs/dbraw/zinc/67/85/08/1067678508.db2.gz QLLMENWUXAUFHN-UHFFFAOYSA-N 0 0 491.652 4.566 20 0 JJADRN C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001460633871 1067679496 /nfs/dbraw/zinc/67/94/96/1067679496.db2.gz NRDWTWDHLIWFIM-ZFWWWQNUSA-N 0 0 458.386 4.869 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460637726 1067680898 /nfs/dbraw/zinc/68/08/98/1067680898.db2.gz HQBLMQIIPYIUKZ-INIZCTEOSA-N 0 0 459.315 4.769 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1 ZINC001460640706 1067682063 /nfs/dbraw/zinc/68/20/63/1067682063.db2.gz SRYAUTWHVDODPI-MRXNPFEDSA-N 0 0 455.555 4.715 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC001460640606 1067682097 /nfs/dbraw/zinc/68/20/97/1067682097.db2.gz KNOZDKQYZPWIGY-LJQANCHMSA-N 0 0 459.370 4.700 20 0 JJADRN O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)c1nccnc1Sc1ccccc1 ZINC001460641381 1067682632 /nfs/dbraw/zinc/68/26/32/1067682632.db2.gz FPNIJJDQEYVHCV-UHFFFAOYSA-N 0 0 455.539 4.915 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC001460641518 1067682711 /nfs/dbraw/zinc/68/27/11/1067682711.db2.gz GJLXMJZHUSCVSB-NRFANRHFSA-N 0 0 451.592 4.779 20 0 JJADRN C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[C@@H]1OCCc2sccc21 ZINC001460641433 1067682721 /nfs/dbraw/zinc/68/27/21/1067682721.db2.gz IFRKIYIITHGECZ-LRQRDZAKSA-N 0 0 450.645 4.978 20 0 JJADRN C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1OCCc2sccc21 ZINC001460641429 1067682728 /nfs/dbraw/zinc/68/27/28/1067682728.db2.gz IFRKIYIITHGECZ-LDQXTDLNSA-N 0 0 450.645 4.978 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)cc1C ZINC001460642418 1067683101 /nfs/dbraw/zinc/68/31/01/1067683101.db2.gz SWWOHCUVOHPJJC-JOCHJYFZSA-N 0 0 456.380 4.629 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N[C@@H](Cc3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC001460643037 1067683187 /nfs/dbraw/zinc/68/31/87/1067683187.db2.gz LISAPRMDBFZUGX-DEOSSOPVSA-N 0 0 457.530 4.787 20 0 JJADRN Clc1cc(I)ccc1CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC001460644914 1067684072 /nfs/dbraw/zinc/68/40/72/1067684072.db2.gz VDSFZPTXTITHLK-UHFFFAOYSA-N 0 0 457.743 4.975 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)NC3CCCCC3)cc2F)n1 ZINC001460644438 1067684127 /nfs/dbraw/zinc/68/41/27/1067684127.db2.gz IQVWVVCVHOZHFM-OAQYLSRUSA-N 0 0 456.562 4.682 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)sc21 ZINC001460647100 1067685173 /nfs/dbraw/zinc/68/51/73/1067685173.db2.gz UOPZIVQLUMWMFC-UHFFFAOYSA-N 0 0 455.486 4.859 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1ccn(-c2cccc(F)c2)n1)NC(=O)OC(C)(C)C ZINC001460648326 1067685717 /nfs/dbraw/zinc/68/57/17/1067685717.db2.gz AIXDOSBMBQEMNB-QFIPXVFZSA-N 0 0 452.530 4.570 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1ccn(-c2cccc(F)c2)n1)NC(=O)OC(C)(C)C ZINC001460648325 1067685832 /nfs/dbraw/zinc/68/58/32/1067685832.db2.gz AIXDOSBMBQEMNB-JOCHJYFZSA-N 0 0 452.530 4.570 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Cl)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460649967 1067686742 /nfs/dbraw/zinc/68/67/42/1067686742.db2.gz IKUQWRGOFBNMCT-KSEOMHKRSA-N 0 0 474.985 4.555 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CCS1 ZINC001546117936 1067686797 /nfs/dbraw/zinc/68/67/97/1067686797.db2.gz SXYXOSZLVWHEHJ-YESZJQIVSA-N 0 0 473.609 4.710 20 0 JJADRN Cc1c(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1F ZINC001460651323 1067687211 /nfs/dbraw/zinc/68/72/11/1067687211.db2.gz LJAUXSRIKPGGCJ-UHFFFAOYSA-N 0 0 450.411 4.989 20 0 JJADRN COCC[C@@H](COC)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 ZINC001460653921 1067688305 /nfs/dbraw/zinc/68/83/05/1067688305.db2.gz REOIBSXREOLFIK-ZDUSSCGKSA-N 0 0 456.395 4.543 20 0 JJADRN Cc1c(CC(=O)Oc2cc(Br)cc(C(F)(F)F)c2)nnn1-c1ccc(C)cc1 ZINC001460654818 1067689366 /nfs/dbraw/zinc/68/93/66/1067689366.db2.gz VKZRWZAMZQTHMN-UHFFFAOYSA-N 0 0 454.246 4.814 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC001460655181 1067689878 /nfs/dbraw/zinc/68/98/78/1067689878.db2.gz YTSOITSDDDLQBU-KRWDZBQOSA-N 0 0 458.274 4.901 20 0 JJADRN O=C(CN1CCC(NC(=O)OCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC001460656321 1067690448 /nfs/dbraw/zinc/69/04/48/1067690448.db2.gz JOENNMOQNKDVPP-UHFFFAOYSA-N 0 0 459.546 4.808 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 ZINC001460657209 1067690461 /nfs/dbraw/zinc/69/04/61/1067690461.db2.gz RIXUBTYCQBYXJX-OAQYLSRUSA-N 0 0 456.539 4.780 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)CCS1 ZINC001546118004 1067690465 /nfs/dbraw/zinc/69/04/65/1067690465.db2.gz UTOORWZQTLLDJI-JGCGQSQUSA-N 0 0 482.666 4.560 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN[C@@H](CF)c1ccc(F)cc1 ZINC001460659602 1067691459 /nfs/dbraw/zinc/69/14/59/1067691459.db2.gz RHMXANWITVLRIN-UUOWRZLLSA-N 0 0 451.517 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662477 1067692505 /nfs/dbraw/zinc/69/25/05/1067692505.db2.gz UPMULTSJICVOHR-AOHZBQACSA-N 0 0 459.606 4.647 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460666283 1067693446 /nfs/dbraw/zinc/69/34/46/1067693446.db2.gz HVFCOGQMTQLUJP-ZUOKHONESA-N 0 0 454.439 4.599 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460668676 1067694161 /nfs/dbraw/zinc/69/41/61/1067694161.db2.gz UDJWYSJRWPGHPH-QMMMGPOBSA-N 0 0 456.180 4.969 20 0 JJADRN O=C(NCc1noc2c1CCCC2)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001460669682 1067694552 /nfs/dbraw/zinc/69/45/52/1067694552.db2.gz LKGLKDGKPSFNKZ-NRFANRHFSA-N 0 0 459.315 4.892 20 0 JJADRN Cc1cc(C2CC2)nc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)n1 ZINC001460673188 1067695906 /nfs/dbraw/zinc/69/59/06/1067695906.db2.gz JBDNNZXSTSIBOO-UHFFFAOYSA-N 0 0 457.243 4.821 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC001460675225 1067696486 /nfs/dbraw/zinc/69/64/86/1067696486.db2.gz RFYPAUGMNLLGTR-AWEZNQCLSA-N 0 0 452.370 4.571 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N2CCOc3c(Cl)cc(Br)cc32)CCC1 ZINC001460674654 1067696560 /nfs/dbraw/zinc/69/65/60/1067696560.db2.gz PBSASRIJORCELR-UHFFFAOYSA-N 0 0 459.768 4.665 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)CN3CCCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001460675697 1067697021 /nfs/dbraw/zinc/69/70/21/1067697021.db2.gz PLTJWIAIRUSXAX-XMMPIXPASA-N 0 0 457.659 4.545 20 0 JJADRN CCOC(=O)c1sc(C2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)nc1C ZINC001460676162 1067697033 /nfs/dbraw/zinc/69/70/33/1067697033.db2.gz JSRDVEVXGAVGEB-HNNXBMFYSA-N 0 0 450.004 4.797 20 0 JJADRN CC[C@]1(CNC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460676988 1067697594 /nfs/dbraw/zinc/69/75/94/1067697594.db2.gz VYDKGJLUIGLZRR-FWADJWPSSA-N 0 0 456.627 4.797 20 0 JJADRN CC[C@@]1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)OCCc2ccccc21 ZINC001460676302 1067697692 /nfs/dbraw/zinc/69/76/92/1067697692.db2.gz UFOFHNCHRLMHFZ-VWNXMTODSA-N 0 0 457.412 4.580 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)(F)C(F)F)CCS1 ZINC001546117788 1067697722 /nfs/dbraw/zinc/69/77/22/1067697722.db2.gz PEGGFQCGFJWCRA-HNNXBMFYSA-N 0 0 468.561 4.549 20 0 JJADRN Cc1cccc(-c2nnc3n2C[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)CC3)c1 ZINC001460679154 1067698671 /nfs/dbraw/zinc/69/86/71/1067698671.db2.gz FTSLOKBHSABFRF-GDBMZVCRSA-N 0 0 457.347 4.595 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCC[C@@H](c4ccccc4OC)CC3)nc(N)c2c1C ZINC001460678998 1067698737 /nfs/dbraw/zinc/69/87/37/1067698737.db2.gz SSMFJGQRGPRRQS-MRXNPFEDSA-N 0 0 454.596 4.537 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC001460681378 1067699720 /nfs/dbraw/zinc/69/97/20/1067699720.db2.gz SMQXSFBUMZNDAR-UHFFFAOYSA-N 0 0 459.527 4.951 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)c1C ZINC001460683552 1067700762 /nfs/dbraw/zinc/70/07/62/1067700762.db2.gz UYBWCWZPFBWQDU-UHFFFAOYSA-N 0 0 451.317 4.864 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(Br)cc1F ZINC001460686346 1067701506 /nfs/dbraw/zinc/70/15/06/1067701506.db2.gz DYEYLYTYIPIYFX-ZBFHGGJFSA-N 0 0 455.327 4.972 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N(C)C2CCC(F)(F)CC2)C1 ZINC001460685527 1067701589 /nfs/dbraw/zinc/70/15/89/1067701589.db2.gz CHXSQHVUKQXKTH-OAHLLOKOSA-N 0 0 457.359 4.646 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccc(Br)cc1F ZINC001460686341 1067701643 /nfs/dbraw/zinc/70/16/43/1067701643.db2.gz DYEYLYTYIPIYFX-GDBMZVCRSA-N 0 0 455.327 4.972 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N(CCCc2ccccc2)c2ccccc2)C1 ZINC001460688240 1067702047 /nfs/dbraw/zinc/70/20/47/1067702047.db2.gz KJQFNPYSPHWLKD-RUZDIDTESA-N 0 0 456.586 4.970 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460689791 1067702474 /nfs/dbraw/zinc/70/24/74/1067702474.db2.gz VLKKFVWZBLISFK-RTWAWAEBSA-N 0 0 454.368 4.953 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C(F)(F)F ZINC001460691321 1067702759 /nfs/dbraw/zinc/70/27/59/1067702759.db2.gz NBLKZJVYVBXMMZ-CMPLNLGQSA-N 0 0 457.246 4.843 20 0 JJADRN O=C(CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699410 1067704170 /nfs/dbraw/zinc/70/41/70/1067704170.db2.gz YZEFGMARPLMJLL-PXDATVDWSA-N 0 0 454.492 4.574 20 0 JJADRN O=C(CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699413 1067704256 /nfs/dbraw/zinc/70/42/56/1067704256.db2.gz YZEFGMARPLMJLL-SQJMNOBHSA-N 0 0 454.492 4.574 20 0 JJADRN O=C(Cc1ccccc1I)Nc1cc(Cl)cc(Br)c1 ZINC001460698574 1067704403 /nfs/dbraw/zinc/70/44/03/1067704403.db2.gz MDSXUELQBVFMGP-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)Nc2c(C)cccc2C)c1 ZINC001460702463 1067704860 /nfs/dbraw/zinc/70/48/60/1067704860.db2.gz NMXNQJVBMZCSAE-JOCHJYFZSA-N 0 0 453.583 4.545 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)CC2)s1 ZINC001460705868 1067705293 /nfs/dbraw/zinc/70/52/93/1067705293.db2.gz VWHIGCFYROUZGR-GFCCVEGCSA-N 0 0 459.420 4.671 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)CN2CCCSC[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001460704881 1067705356 /nfs/dbraw/zinc/70/53/56/1067705356.db2.gz GFVDJQRLHFWWTA-HXUWFJFHSA-N 0 0 451.514 4.783 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)cc1 ZINC001460707834 1067705921 /nfs/dbraw/zinc/70/59/21/1067705921.db2.gz KVIPBARLMJQHJC-SFHVURJKSA-N 0 0 456.546 4.623 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1cncc(OCc2ccccc2)c1)CC(F)(F)F ZINC001460713658 1067706626 /nfs/dbraw/zinc/70/66/26/1067706626.db2.gz RJPCZBWWTOEEQF-UHFFFAOYSA-N 0 0 453.505 4.940 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 ZINC001460714414 1067707187 /nfs/dbraw/zinc/70/71/87/1067707187.db2.gz URGXDNYUCSIXFX-INIZCTEOSA-N 0 0 453.608 4.500 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001460714495 1067707213 /nfs/dbraw/zinc/70/72/13/1067707213.db2.gz FZEZNNREGGGYKH-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1CCO[C@H](C(F)(F)F)CC1 ZINC001460716006 1067707658 /nfs/dbraw/zinc/70/76/58/1067707658.db2.gz FSRSKDGHYKYHIA-HNNXBMFYSA-N 0 0 450.251 4.525 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001546118425 1067709473 /nfs/dbraw/zinc/70/94/73/1067709473.db2.gz DZBJBORLBABNNN-ZDUSSCGKSA-N 0 0 454.286 4.816 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1nc(-c3ccc(F)c(F)c3)cs1)CC2 ZINC001460721615 1067709490 /nfs/dbraw/zinc/70/94/90/1067709490.db2.gz CUBBXZMKQMRHOD-CYBMUJFWSA-N 0 0 459.518 4.663 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001460723603 1067709941 /nfs/dbraw/zinc/70/99/41/1067709941.db2.gz ZQAVCXOBAVKFRI-SFHVURJKSA-N 0 0 456.455 4.747 20 0 JJADRN Cc1ccc(CN(C(=O)CN2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)C2CC2)o1 ZINC001460725721 1067710243 /nfs/dbraw/zinc/71/02/43/1067710243.db2.gz IDVMFZAFCQFBDN-IBGZPJMESA-N 0 0 453.583 4.598 20 0 JJADRN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460726684 1067710607 /nfs/dbraw/zinc/71/06/07/1067710607.db2.gz QZHCATZKJDIHIO-KDYSTLNUSA-N 0 0 452.595 4.866 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)c1cccc(CN3C(=O)CSC3=O)c1)CCC2 ZINC001460726734 1067710669 /nfs/dbraw/zinc/71/06/69/1067710669.db2.gz SYWIUDDOLVGOMC-UHFFFAOYSA-N 0 0 459.365 4.546 20 0 JJADRN C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460730774 1067711278 /nfs/dbraw/zinc/71/12/78/1067711278.db2.gz ZCBAWEPKZGKXAC-SYJLOODJSA-N 0 0 450.530 4.593 20 0 JJADRN CCOC(=O)Cc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460732479 1067711805 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CWNJDYGEXABOMH-PIGZYNQJSA-N 0 0 457.242 4.940 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)O[C@H](C)c2ncccc2Br)CC[C@@H]1c1ccc(C)o1 ZINC001460756780 1067717327 /nfs/dbraw/zinc/71/73/27/1067717327.db2.gz IBEGULVMTRPBTI-FVQBIDKESA-N 0 0 451.317 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC001460758350 1067718073 /nfs/dbraw/zinc/71/80/73/1067718073.db2.gz FUCFRKHHQLTVIP-PXNSSMCTSA-N 0 0 459.612 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC001460758354 1067718161 /nfs/dbraw/zinc/71/81/61/1067718161.db2.gz FUCFRKHHQLTVIP-YLJYHZDGSA-N 0 0 459.612 4.974 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCCc2ccc(C)c(Br)c21)c1c(F)cccc1F ZINC001460762512 1067718904 /nfs/dbraw/zinc/71/89/04/1067718904.db2.gz MJTLPCZQWKDPRF-KRWDZBQOSA-N 0 0 451.311 4.582 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)OCc3cc(Cl)c(C)cc3Br)CC2=O)cc1 ZINC001460762469 1067718938 /nfs/dbraw/zinc/71/89/38/1067718938.db2.gz UKJIEWQITRFJBU-ZDUSSCGKSA-N 0 0 452.732 4.516 20 0 JJADRN CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccc(-c2nccs2)cc1 ZINC001460764810 1067719532 /nfs/dbraw/zinc/71/95/32/1067719532.db2.gz KUMKCKOCKMHSJD-UHFFFAOYSA-N 0 0 459.369 4.747 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460766432 1067719844 /nfs/dbraw/zinc/71/98/44/1067719844.db2.gz PVZBBNRRDRRKLH-APTRMMRNSA-N 0 0 456.627 4.971 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460769703 1067720227 /nfs/dbraw/zinc/72/02/27/1067720227.db2.gz FVGHROYTECYUEL-VXGBXAGGSA-N 0 0 458.187 4.753 20 0 JJADRN CC(C)C[C@@H]1C[C@H]1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001460769565 1067720321 /nfs/dbraw/zinc/72/03/21/1067720321.db2.gz QTGPMYCYKHCLAH-IEBWSBKVSA-N 0 0 481.083 4.675 20 0 JJADRN C=COc1ccc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)cc1 ZINC001460773971 1067721062 /nfs/dbraw/zinc/72/10/62/1067721062.db2.gz XBXHLPVFJBFCKE-INIZCTEOSA-N 0 0 452.507 4.740 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)cc(OC)c1Cl ZINC001460785876 1067723341 /nfs/dbraw/zinc/72/33/41/1067723341.db2.gz DQWPIGHKRMFDHP-UHFFFAOYSA-N 0 0 456.749 4.678 20 0 JJADRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460789694 1067724017 /nfs/dbraw/zinc/72/40/17/1067724017.db2.gz NXUMFRQCTWKGSM-NILFDRSVSA-N 0 0 460.884 4.838 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c1 ZINC001460790240 1067724053 /nfs/dbraw/zinc/72/40/53/1067724053.db2.gz SCZCOIICNQEASD-GFCCVEGCSA-N 0 0 450.862 4.663 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1)c1ccccc1 ZINC001460796604 1067725308 /nfs/dbraw/zinc/72/53/08/1067725308.db2.gz OPKVERCGTVGIKB-OALUTQOASA-N 0 0 454.567 4.568 20 0 JJADRN CN(C[C@@H]1CCCCN1Cc1csc(CC(=O)Nc2ccccc2)n1)C(=O)OC(C)(C)C ZINC001460797014 1067725401 /nfs/dbraw/zinc/72/54/01/1067725401.db2.gz QUTBHNNHUZBLGT-FQEVSTJZSA-N 0 0 458.628 4.546 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)nc(C)n1 ZINC001460799364 1067726239 /nfs/dbraw/zinc/72/62/39/1067726239.db2.gz VBGHADNAAQRADM-UXHICEINSA-N 0 0 452.486 4.793 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC[C@H]1c1ncc(Br)cn1 ZINC001460809226 1067728147 /nfs/dbraw/zinc/72/81/47/1067728147.db2.gz XYRNGHWGSHJNIF-KDOFPFPSSA-N 0 0 451.796 4.639 20 0 JJADRN Fc1cccc(Cl)c1-c1nc(CN2CCCC[C@H]2c2ncc(Br)cn2)no1 ZINC001460809209 1067728224 /nfs/dbraw/zinc/72/82/24/1067728224.db2.gz XRKMBCLTEQALMQ-AWEZNQCLSA-N 0 0 452.715 4.809 20 0 JJADRN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCCc2cc(Cl)cc(Br)c21 ZINC001460817808 1067729120 /nfs/dbraw/zinc/72/91/20/1067729120.db2.gz ZOXDVSIENJGEGH-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCc2cc(F)c(Br)cc2C1 ZINC001460824737 1067730006 /nfs/dbraw/zinc/73/00/06/1067730006.db2.gz IKRTZLZTVHNRKQ-UHFFFAOYSA-N 0 0 451.355 4.913 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460827883 1067730393 /nfs/dbraw/zinc/73/03/93/1067730393.db2.gz RCQVTJPRVMHKTD-QWHCGFSZSA-N 0 0 450.988 4.753 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(Br)c(Cl)c2)CC1=O ZINC001460828080 1067730759 /nfs/dbraw/zinc/73/07/59/1067730759.db2.gz SKGWDAOJMSCNHB-SNVBAGLBSA-N 0 0 459.123 4.723 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H]1c1cncc(Br)c1 ZINC001460829244 1067730867 /nfs/dbraw/zinc/73/08/67/1067730867.db2.gz LWUKBPALOKRKOX-GOSISDBHSA-N 0 0 457.199 4.946 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N(Cc1ccccn1)CC(C)C)C[C@H](C)CC2 ZINC001460833569 1067731497 /nfs/dbraw/zinc/73/14/97/1067731497.db2.gz RMLAHPDEBZUBEK-MSOLQXFVSA-N 0 0 457.640 4.930 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC001460832936 1067731568 /nfs/dbraw/zinc/73/15/68/1067731568.db2.gz QMDJUAQUCXCZIY-BQFCYCMXSA-N 0 0 453.425 4.707 20 0 JJADRN CCc1nc(NC(=O)CN2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)sc1C ZINC001460834388 1067731954 /nfs/dbraw/zinc/73/19/54/1067731954.db2.gz RWXYUUVQEIOKCL-KRWDZBQOSA-N 0 0 458.628 4.546 20 0 JJADRN Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001460843108 1067733003 /nfs/dbraw/zinc/73/30/03/1067733003.db2.gz SZOVBGKEYDFQNP-GFCCVEGCSA-N 0 0 451.741 4.521 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(F)c(F)c1C ZINC001460843111 1067733092 /nfs/dbraw/zinc/73/30/92/1067733092.db2.gz WHFRLVVANVQXHN-UHFFFAOYSA-N 0 0 450.441 4.720 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3F)n2CC[S@](=O)C(C)(C)C)CCS1 ZINC001546119485 1067733893 /nfs/dbraw/zinc/73/38/93/1067733893.db2.gz FBXDEAWBYUPPKD-HKBQPEDESA-N 0 0 466.692 4.667 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2Cc2cccc(Br)n2)CCS1 ZINC001546119481 1067733955 /nfs/dbraw/zinc/73/39/55/1067733955.db2.gz DXKKWRMMUJCHJL-UHFFFAOYSA-N 0 0 487.471 4.582 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3[C@H](C)CCC3(C)C)cc2)cc1C ZINC001460851139 1067734732 /nfs/dbraw/zinc/73/47/32/1067734732.db2.gz MKDHBBRFDXSWER-WOJBJXKFSA-N 0 0 458.624 4.685 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3OC)C2)c1 ZINC001460853452 1067735126 /nfs/dbraw/zinc/73/51/26/1067735126.db2.gz BAIAEAWQEJDLEM-YDHSSHFGSA-N 0 0 454.567 4.674 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cnn(-c4ccc(Br)cc4)c3C)C2)c1 ZINC001460855654 1067735473 /nfs/dbraw/zinc/73/54/73/1067735473.db2.gz QKSUDPDIOYEZLN-IRJFHVNHSA-N 0 0 454.368 4.970 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001460859647 1067736036 /nfs/dbraw/zinc/73/60/36/1067736036.db2.gz FVNXGFPNESCMFT-QHCPKHFHSA-N 0 0 458.352 4.635 20 0 JJADRN CCO[C@@H]1CCC[C@H]1NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC001460860823 1067736338 /nfs/dbraw/zinc/73/63/38/1067736338.db2.gz PECCRUCKTINZAO-ISKFKSNPSA-N 0 0 468.981 4.917 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ncc(C)s1)Cc1ccccc1 ZINC001460862764 1067736745 /nfs/dbraw/zinc/73/67/45/1067736745.db2.gz IEIMWSUIUCUTAT-RTWAWAEBSA-N 0 0 473.639 4.642 20 0 JJADRN CCOC(=O)Cc1cnc(N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)s1 ZINC001460865155 1067737164 /nfs/dbraw/zinc/73/71/64/1067737164.db2.gz LUGQXVNGZFZURG-UHFFFAOYSA-N 0 0 456.568 4.528 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2CCc2nc(C)c(C)s2)CCS1 ZINC001546119699 1067737181 /nfs/dbraw/zinc/73/71/81/1067737181.db2.gz MTYQUIHFOMWAKG-UHFFFAOYSA-N 0 0 456.685 4.692 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCC[C@H](c4cccc(Cl)c4)C3)C2=O)c1 ZINC001460865426 1067737211 /nfs/dbraw/zinc/73/72/11/1067737211.db2.gz OGUFUMOBBMHNHZ-RCZSKKKRSA-N 0 0 453.970 4.696 20 0 JJADRN COC1(C(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460867052 1067737540 /nfs/dbraw/zinc/73/75/40/1067737540.db2.gz WQCYWQPFSGIETN-AZUAARDMSA-N 0 0 451.007 4.899 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cnn(-c2ccccc2)c1C(F)F ZINC001460865669 1067737569 /nfs/dbraw/zinc/73/75/69/1067737569.db2.gz GZCOFLGTQGNWAT-RBUKOAKNSA-N 0 0 464.438 4.570 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867652 1067737891 /nfs/dbraw/zinc/73/78/91/1067737891.db2.gz OGPVZSSOFOQFEO-DGCLKSJQSA-N 0 0 452.458 4.549 20 0 JJADRN COC1(C(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460867072 1067737970 /nfs/dbraw/zinc/73/79/70/1067737970.db2.gz WQCYWQPFSGIETN-UYAOXDASSA-N 0 0 451.007 4.899 20 0 JJADRN Cc1cccc([C@@H](NCC(=O)NCCc2cccc(Cl)c2Cl)C(=O)OC(C)(C)C)c1 ZINC001460868316 1067738452 /nfs/dbraw/zinc/73/84/52/1067738452.db2.gz DVVSPXPIOOYIIH-OAQYLSRUSA-N 0 0 451.394 4.633 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)nnc1-c1ccccc1 ZINC001460869027 1067738499 /nfs/dbraw/zinc/73/84/99/1067738499.db2.gz WJVHFGBGDNTRII-IAGOWNOFSA-N 0 0 452.580 4.923 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@H](C)C[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001460869281 1067738537 /nfs/dbraw/zinc/73/85/37/1067738537.db2.gz BBBXOIBUSONYDP-AGILITTLSA-N 0 0 454.636 4.809 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC001460870786 1067739131 /nfs/dbraw/zinc/73/91/31/1067739131.db2.gz GEDXMSVUNBIDRS-UHFFFAOYSA-N 0 0 458.353 4.939 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2CC[C@@](C)(O)c2ccccc2)CCS1 ZINC001546119774 1067740062 /nfs/dbraw/zinc/74/00/62/1067740062.db2.gz PNACEIYTRJFITN-RUZDIDTESA-N 0 0 465.667 4.674 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)c2cc(Br)c(C)n(C)c2=O)cc1 ZINC001460875860 1067740393 /nfs/dbraw/zinc/74/03/93/1067740393.db2.gz FZKHJHUWNWTSMH-UHFFFAOYSA-N 0 0 455.352 4.529 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1Oc1ccc(C)cc1 ZINC001460879285 1067740806 /nfs/dbraw/zinc/74/08/06/1067740806.db2.gz UYUBOSZOMZXLQS-SANMLTNESA-N 0 0 455.558 4.675 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(F)cc2)CCS1 ZINC001546119883 1067743057 /nfs/dbraw/zinc/74/30/57/1067743057.db2.gz TYLDDCHRRAJHDZ-JOCHJYFZSA-N 0 0 486.661 4.779 20 0 JJADRN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001460888042 1067743409 /nfs/dbraw/zinc/74/34/09/1067743409.db2.gz BMRCWFIATVTEEI-GFCCVEGCSA-N 0 0 457.340 4.683 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2CCOCc2ccccc2)CCS1 ZINC001546119946 1067743459 /nfs/dbraw/zinc/74/34/59/1067743459.db2.gz WCVGPCDEHLSOFF-UHFFFAOYSA-N 0 0 451.640 4.593 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001460889360 1067743780 /nfs/dbraw/zinc/74/37/80/1067743780.db2.gz KXUOFTWDUTXFJN-HOTGVXAUSA-N 0 0 451.792 4.603 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001460890765 1067744234 /nfs/dbraw/zinc/74/42/34/1067744234.db2.gz JRUKULSNUVTLLE-FQEVSTJZSA-N 0 0 451.336 4.529 20 0 JJADRN CO[C@@](C)([C@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1 ZINC001460896213 1067745116 /nfs/dbraw/zinc/74/51/16/1067745116.db2.gz AVXZJCCURJCJCF-WNSKOXEYSA-N 0 0 459.384 4.564 20 0 JJADRN Cc1ccc(N(C)C(=O)c2csc(I)c2Br)c(F)c1 ZINC001460895172 1067745203 /nfs/dbraw/zinc/74/52/03/1067745203.db2.gz NZJKRQQXHWUMDV-UHFFFAOYSA-N 0 0 454.102 4.839 20 0 JJADRN CO[C@@](C)([C@@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1 ZINC001460896208 1067745238 /nfs/dbraw/zinc/74/52/38/1067745238.db2.gz AVXZJCCURJCJCF-CMJOXMDJSA-N 0 0 459.384 4.564 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001460912702 1067746873 /nfs/dbraw/zinc/74/68/73/1067746873.db2.gz DDXZJMCFQNOXEY-UHFFFAOYSA-N 0 0 454.980 4.793 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC001460914272 1067747456 /nfs/dbraw/zinc/74/74/56/1067747456.db2.gz IJNFJDPIEVQSJJ-OAHLLOKOSA-N 0 0 459.955 4.698 20 0 JJADRN CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001460920505 1067748379 /nfs/dbraw/zinc/74/83/79/1067748379.db2.gz RZLYQPSEEAMFJI-CTNGQTDRSA-N 0 0 450.645 4.596 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001460922846 1067748869 /nfs/dbraw/zinc/74/88/69/1067748869.db2.gz MXEYMDCMCNDGCO-IRLDBZIGSA-N 0 0 456.489 4.859 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001460924425 1067749222 /nfs/dbraw/zinc/74/92/22/1067749222.db2.gz UREAGAUIGIOGFS-UHFFFAOYSA-N 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CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]1C ZINC001460939746 1067751184 /nfs/dbraw/zinc/75/11/84/1067751184.db2.gz OAVHCKGJHTXVEQ-GKAYAJSDSA-N 0 0 457.640 4.972 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001460940670 1067751651 /nfs/dbraw/zinc/75/16/51/1067751651.db2.gz WSSBUSSZXZHQLG-TUAABQIMSA-N 0 0 454.398 4.620 20 0 JJADRN COc1ccc([C@H]2CN(Cc3cccc(Br)c3OC(F)F)CCO2)cc1OC ZINC001460942804 1067751563 /nfs/dbraw/zinc/75/15/63/1067751563.db2.gz DXWXEFCASULNIV-GOSISDBHSA-N 0 0 458.299 4.641 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CN2CCCc3c(Br)cccc32)c(OC)c1 ZINC001460941462 1067751638 /nfs/dbraw/zinc/75/16/38/1067751638.db2.gz WWGZJRSWHVNBMJ-OAQYLSRUSA-N 0 0 459.384 4.583 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c2ccco2)cc1 ZINC001460944052 1067751957 /nfs/dbraw/zinc/75/19/57/1067751957.db2.gz DXEFEVLQOKBOMB-QFIPXVFZSA-N 0 0 450.516 4.948 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)OCc1ccccc1 ZINC001460946034 1067752056 /nfs/dbraw/zinc/75/20/56/1067752056.db2.gz ZHSDNSSMBQGYLL-CBQGHPETSA-N 0 0 458.599 4.647 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](CC(C)(C)C)C2)c1 ZINC001460954895 1067753006 /nfs/dbraw/zinc/75/30/06/1067753006.db2.gz NYIONNABKXRVBS-LJQANCHMSA-N 0 0 458.624 4.727 20 0 JJADRN CCOC(=O)Cc1cnc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)s1 ZINC001460956460 1067753445 /nfs/dbraw/zinc/75/34/45/1067753445.db2.gz DBSVWUAFRILWJE-UHFFFAOYSA-N 0 0 455.483 4.952 20 0 JJADRN C[C@@H]1C[C@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)[C@H](C)O1 ZINC001460963564 1067753768 /nfs/dbraw/zinc/75/37/68/1067753768.db2.gz RUKHMDKPFDGDAE-GRYCIOLGSA-N 0 0 451.823 4.723 20 0 JJADRN CN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001460965639 1067754230 /nfs/dbraw/zinc/75/42/30/1067754230.db2.gz TXCRRXUUESBLHM-UHFFFAOYSA-N 0 0 451.567 4.742 20 0 JJADRN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460967806 1067754278 /nfs/dbraw/zinc/75/42/78/1067754278.db2.gz ZPYSNQLOQALGKK-ZYIUAKIQSA-N 0 0 453.370 4.902 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(OC)cccc2SC)cc1 ZINC001460973956 1067755057 /nfs/dbraw/zinc/75/50/57/1067755057.db2.gz CAOHUBRJLWKBLB-UHFFFAOYSA-N 0 0 456.589 4.885 20 0 JJADRN Fc1cc(Br)cnc1CN1CCC(OCc2ccc(Br)cc2)CC1 ZINC001460976365 1067755513 /nfs/dbraw/zinc/75/55/13/1067755513.db2.gz UBRQQUWJYDRFGX-UHFFFAOYSA-N 0 0 458.169 4.927 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001460976846 1067755609 /nfs/dbraw/zinc/75/56/09/1067755609.db2.gz ZAGWHRZASUYKSX-VFNWGFHPSA-N 0 0 479.499 4.557 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979838 1067756043 /nfs/dbraw/zinc/75/60/43/1067756043.db2.gz VDSZDGAMLXFQPK-SJORKVTESA-N 0 0 454.636 4.997 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980040 1067756094 /nfs/dbraw/zinc/75/60/94/1067756094.db2.gz YBNAQANZPHNRHC-HOZJOUCCSA-N 0 0 458.628 4.640 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982898 1067756770 /nfs/dbraw/zinc/75/67/70/1067756770.db2.gz SCNFWOZDKZANEZ-RXVVDRJESA-N 0 0 457.615 4.623 20 0 JJADRN O=C(CCc1ccc(Br)cc1)Nc1nn(CC(F)(F)F)cc1Br ZINC001460987102 1067757595 /nfs/dbraw/zinc/75/75/95/1067757595.db2.gz GKEYVDCCZIFRQX-UHFFFAOYSA-N 0 0 455.072 4.542 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001460988776 1067758056 /nfs/dbraw/zinc/75/80/56/1067758056.db2.gz MGLNQHXWPRFYRG-UHFFFAOYSA-N 0 0 456.184 4.897 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988148 1067758066 /nfs/dbraw/zinc/75/80/66/1067758066.db2.gz USXZBJOKMBNUQI-UXHICEINSA-N 0 0 457.659 4.853 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1F ZINC001460987750 1067758109 /nfs/dbraw/zinc/75/81/09/1067758109.db2.gz JANYTKWZAWMEPK-UHFFFAOYSA-N 0 0 459.477 4.655 20 0 JJADRN Cc1cc(C)c(COC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c(OCc2ccccc2)n1 ZINC001460996785 1067759841 /nfs/dbraw/zinc/75/98/41/1067759841.db2.gz OTOIHMKQJJGXGM-UHFFFAOYSA-N 0 0 453.922 4.988 20 0 JJADRN Cc1cc(C)c(COC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(OCc2ccccc2)n1 ZINC001460997506 1067760127 /nfs/dbraw/zinc/76/01/27/1067760127.db2.gz RQDCHTCEMSEFNB-UHFFFAOYSA-N 0 0 453.560 4.817 20 0 JJADRN COCCOc1ccc(C(=O)OCc2c(Br)cc(F)c(F)c2F)c(Cl)c1 ZINC001460997023 1067760253 /nfs/dbraw/zinc/76/02/53/1067760253.db2.gz YPKDLFNAXSRCOM-UHFFFAOYSA-N 0 0 453.638 4.902 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(F)c1 ZINC001461002661 1067760570 /nfs/dbraw/zinc/76/05/70/1067760570.db2.gz XIMHFQOZKFSBCY-QGZVFWFLSA-N 0 0 450.510 4.877 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)CC(C)(C)NC(=O)OCc1ccccc1 ZINC001461004557 1067760974 /nfs/dbraw/zinc/76/09/74/1067760974.db2.gz ADDDQWNSKCOUTI-UHFFFAOYSA-N 0 0 453.308 4.630 20 0 JJADRN Cn1ccnc1[C@@H](NCc1cc(Cl)ccc1I)c1cccc(F)c1 ZINC001461020773 1067763373 /nfs/dbraw/zinc/76/33/73/1067763373.db2.gz AYKXGCHJPMJVNG-KRWDZBQOSA-N 0 0 455.702 4.696 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001461022408 1067763431 /nfs/dbraw/zinc/76/34/31/1067763431.db2.gz JURPXCRXOREMBC-RHSMWYFYSA-N 0 0 450.760 4.869 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001461023622 1067763716 /nfs/dbraw/zinc/76/37/16/1067763716.db2.gz ULLKZJCYMWGPNR-GXTWGEPZSA-N 0 0 457.294 4.747 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F ZINC001461024154 1067763944 /nfs/dbraw/zinc/76/39/44/1067763944.db2.gz CQDQACZFPPJPPT-DYVFJYSZSA-N 0 0 458.402 4.520 20 0 JJADRN COc1cc(OC)cc([C@@H](NCc2cccc(Cl)c2Br)c2nccn2C)c1 ZINC001461025206 1067763996 /nfs/dbraw/zinc/76/39/96/1067763996.db2.gz WCZKZMKOCIEDKW-LJQANCHMSA-N 0 0 450.764 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CCCS2)CCS1 ZINC001546120910 1067764371 /nfs/dbraw/zinc/76/43/71/1067764371.db2.gz DGMWDTZDDVSUFH-OAQYLSRUSA-N 0 0 479.741 4.667 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccccc2)cc1C ZINC001461026642 1067764724 /nfs/dbraw/zinc/76/47/24/1067764724.db2.gz NXNIKABFYCOKHF-UHFFFAOYSA-N 0 0 452.558 4.545 20 0 JJADRN CCc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3CNC(=O)C(F)(F)F)cs2)cc1 ZINC001461026589 1067764758 /nfs/dbraw/zinc/76/47/58/1067764758.db2.gz NDGYDDZVNZIEDC-KRWDZBQOSA-N 0 0 459.493 4.623 20 0 JJADRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001461032182 1067765940 /nfs/dbraw/zinc/76/59/40/1067765940.db2.gz ZAJFJUJDQCUYTR-CRAIPNDOSA-N 0 0 451.489 4.533 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)/C(=C/c3ccc(OC)cc3)c3cccs3)nc2C1 ZINC001461031753 1067765982 /nfs/dbraw/zinc/76/59/82/1067765982.db2.gz LTCJGAQEVQQAAF-YSKWHIJTSA-N 0 0 454.573 4.670 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]3C)c2)n1 ZINC001461036471 1067766518 /nfs/dbraw/zinc/76/65/18/1067766518.db2.gz HKQZGKDBAMOODU-LTMIRXACSA-N 0 0 454.615 4.560 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC001461037223 1067766949 /nfs/dbraw/zinc/76/69/49/1067766949.db2.gz BGSCJDUFEDPXOT-UHFFFAOYSA-N 0 0 451.386 4.845 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)s1 ZINC001461037965 1067767345 /nfs/dbraw/zinc/76/73/45/1067767345.db2.gz CVZPFNRMOGAZIE-HIXWQLQUSA-N 0 0 458.486 4.949 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461038558 1067767413 /nfs/dbraw/zinc/76/74/13/1067767413.db2.gz QLNWGAGDRCFZOR-OAQYLSRUSA-N 0 0 455.396 4.742 20 0 JJADRN O=C(NCC1(C(=O)N2CCc3c2cccc3Br)CCCC1)OCc1ccccc1 ZINC001461040213 1067767626 /nfs/dbraw/zinc/76/76/26/1067767626.db2.gz UPLSRCMBLVWNRL-UHFFFAOYSA-N 0 0 457.368 4.825 20 0 JJADRN Cc1nc(-c2ncccn2)sc1C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461040091 1067767632 /nfs/dbraw/zinc/76/76/32/1067767632.db2.gz XZXPFZAKQSKZSI-KRWDZBQOSA-N 0 0 457.397 4.908 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461040052 1067767643 /nfs/dbraw/zinc/76/76/43/1067767643.db2.gz XUMJEYLQKGBBEQ-GOSISDBHSA-N 0 0 454.368 4.654 20 0 JJADRN CCCc1nc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)nn1-c1ccccc1F ZINC001461038933 1067767686 /nfs/dbraw/zinc/76/76/86/1067767686.db2.gz JGEXZVOTMRBRQZ-UHFFFAOYSA-N 0 0 458.419 4.816 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001461040658 1067767988 /nfs/dbraw/zinc/76/79/88/1067767988.db2.gz OCRUGGFVZLTGPX-AOIWGVFYSA-N 0 0 456.583 4.884 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461042159 1067768185 /nfs/dbraw/zinc/76/81/85/1067768185.db2.gz QOYFKBADVAGFLQ-GUXCAODWSA-N 0 0 454.571 4.625 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]3C)o2)cc1 ZINC001461042385 1067768204 /nfs/dbraw/zinc/76/82/04/1067768204.db2.gz QQVVNRSXYZPXJW-SBHAEUEKSA-N 0 0 455.599 4.980 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cc(C)ccc3C)n2CCCn2cccn2)CCS1 ZINC001546121019 1067768266 /nfs/dbraw/zinc/76/82/66/1067768266.db2.gz HWHNREQVHZVGAC-UHFFFAOYSA-N 0 0 468.671 4.873 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)(C)C)CCS1 ZINC001546121034 1067768549 /nfs/dbraw/zinc/76/85/49/1067768549.db2.gz IMLQUIUREGAIQR-KDURUIRLSA-N 0 0 495.734 4.976 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccc(F)cc1I ZINC001461045330 1067768978 /nfs/dbraw/zinc/76/89/78/1067768978.db2.gz ZZXSIIXQSJPNLC-CQSZACIVSA-N 0 0 453.295 4.914 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001461049071 1067769232 /nfs/dbraw/zinc/76/92/32/1067769232.db2.gz KCZRXQTUDIJWKF-UIAACRFSSA-N 0 0 480.349 4.711 20 0 JJADRN CCCc1sc(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)OC)C2)cc1Br ZINC001461051652 1067770052 /nfs/dbraw/zinc/77/00/52/1067770052.db2.gz RAYSJIRCALZDBI-UONOGXRCSA-N 0 0 472.351 4.770 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)CSc2ccc(F)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001461052017 1067770272 /nfs/dbraw/zinc/77/02/72/1067770272.db2.gz OJIZXKHTWXPXHM-VOBQZIQPSA-N 0 0 480.399 4.732 20 0 JJADRN CCc1oc2ccccc2c1C(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001461052366 1067770364 /nfs/dbraw/zinc/77/03/64/1067770364.db2.gz PCTWKKJEFOYBQZ-ZWKOTPCHSA-N 0 0 456.336 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC001461055377 1067770752 /nfs/dbraw/zinc/77/07/52/1067770752.db2.gz CGNJOJDJQOFOBC-INIZCTEOSA-N 0 0 452.885 4.951 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3C[C@@H](c4ccc(F)cc4F)[C@H](C(=O)OC)C3)cc2s1 ZINC001461053134 1067771114 /nfs/dbraw/zinc/77/11/14/1067771114.db2.gz ZXGJMEUYDBDROV-LSDHHAIUSA-N 0 0 479.574 4.511 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)CCS1 ZINC001546121169 1067772412 /nfs/dbraw/zinc/77/24/12/1067772412.db2.gz NNCRDPWUEISYSC-HSZRJFAPSA-N 0 0 474.602 4.609 20 0 JJADRN CC(C)(C(=O)N1CCC[C@H](n2ccnn2)C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461059885 1067772553 /nfs/dbraw/zinc/77/25/53/1067772553.db2.gz VOMRNXNHZWBRRY-ZDUSSCGKSA-N 0 0 450.395 4.850 20 0 JJADRN Cc1cc(I)cc(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1C ZINC001461060779 1067772869 /nfs/dbraw/zinc/77/28/69/1067772869.db2.gz CGQVDRRNSXFGCJ-OAHLLOKOSA-N 0 0 459.368 4.642 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)OC(C)(C)C)cc2)c1 ZINC001461061462 1067773188 /nfs/dbraw/zinc/77/31/88/1067773188.db2.gz WJHSIFJPWGKNJN-AUSIDOKSSA-N 0 0 450.579 4.507 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001461061129 1067773240 /nfs/dbraw/zinc/77/32/40/1067773240.db2.gz VTAVFBKLSRMJQG-JTSKRJEESA-N 0 0 454.542 4.969 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNCc2cnc(NC(=O)OC(C)(C)C)cn2)cn1 ZINC001461062849 1067773499 /nfs/dbraw/zinc/77/34/99/1067773499.db2.gz ULEZYLMDCFTXHV-UHFFFAOYSA-N 0 0 451.527 4.699 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)CCS1 ZINC001546121226 1067773545 /nfs/dbraw/zinc/77/35/45/1067773545.db2.gz PRZXNQJXZHZVQY-HSALFYBXSA-N 0 0 491.702 4.854 20 0 JJADRN COc1ccc(NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1OCc1cccnc1 ZINC001461069513 1067775725 /nfs/dbraw/zinc/77/57/25/1067775725.db2.gz IBGSLDBDZFDJSY-QGZVFWFLSA-N 0 0 455.477 4.927 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1)S(=O)(=O)C1CCCCC1 ZINC001461073251 1067776450 /nfs/dbraw/zinc/77/64/50/1067776450.db2.gz WOGINIDQZNVMKJ-XMMPIXPASA-N 0 0 453.608 4.864 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001461075365 1067776606 /nfs/dbraw/zinc/77/66/06/1067776606.db2.gz FIJNFLJTHIENJA-LDYMZIIASA-N 0 0 459.237 4.530 20 0 JJADRN Cc1cc(CNc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(C)cc1I ZINC001461076158 1067776640 /nfs/dbraw/zinc/77/66/40/1067776640.db2.gz UKPNJTWMKUQWCH-IBGZPJMESA-N 0 0 450.320 4.638 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461083411 1067778049 /nfs/dbraw/zinc/77/80/49/1067778049.db2.gz BRMYFMAAGKDVKI-GSEOLPGOSA-N 0 0 453.421 4.834 20 0 JJADRN CCN(Cc1ccccc1NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)C(C)=O ZINC001461086763 1067778855 /nfs/dbraw/zinc/77/88/55/1067778855.db2.gz XWVXITQLCIBQDR-NRFANRHFSA-N 0 0 455.599 4.818 20 0 JJADRN CCC(=O)c1cc(C(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)ccc1F ZINC001461088014 1067779545 /nfs/dbraw/zinc/77/95/45/1067779545.db2.gz PPXAUKMBZWSRKK-UHFFFAOYSA-N 0 0 459.319 4.510 20 0 JJADRN COCCCN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc(Br)cn1 ZINC001461088863 1067779623 /nfs/dbraw/zinc/77/96/23/1067779623.db2.gz UKEUHHHPAXNKSU-UHFFFAOYSA-N 0 0 450.333 4.790 20 0 JJADRN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ncc(Br)cc1Br ZINC001461091420 1067780303 /nfs/dbraw/zinc/78/03/03/1067780303.db2.gz BWKWFHVUKIVDGV-SFHVURJKSA-N 0 0 456.153 4.983 20 0 JJADRN O=C(COc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(Cl)c1)N1CCCC1 ZINC001461093333 1067780687 /nfs/dbraw/zinc/78/06/87/1067780687.db2.gz MCXVRPAXRXUFTQ-UHFFFAOYSA-N 0 0 453.926 4.799 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 ZINC001461093988 1067781023 /nfs/dbraw/zinc/78/10/23/1067781023.db2.gz CCKYRUWAACSQRP-UHFFFAOYSA-N 0 0 455.555 4.828 20 0 JJADRN COc1ccc(Br)c(C(=O)NC2(c3cc(Br)ccc3OC)CC2)c1 ZINC001461104723 1067782693 /nfs/dbraw/zinc/78/26/93/1067782693.db2.gz ANGDREGBDXRBDG-UHFFFAOYSA-N 0 0 455.146 4.648 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)cc1 ZINC001461103982 1067782712 /nfs/dbraw/zinc/78/27/12/1067782712.db2.gz DFZUAPONZMIXBQ-UHFFFAOYSA-N 0 0 452.414 4.713 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC001461105617 1067782716 /nfs/dbraw/zinc/78/27/16/1067782716.db2.gz OECZPOZEZTXYAF-QFIPXVFZSA-N 0 0 455.986 4.792 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(c3ccccc3Cl)CC2)c1 ZINC001461108515 1067783440 /nfs/dbraw/zinc/78/34/40/1067783440.db2.gz SIEJAEIPXBTELF-UHFFFAOYSA-N 0 0 454.979 4.974 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c2c1CCC2 ZINC001461113962 1067784023 /nfs/dbraw/zinc/78/40/23/1067784023.db2.gz AXLCKDGAQRXEOM-CEXWTWQISA-N 0 0 452.599 4.528 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c2c1CCC2 ZINC001461113984 1067784127 /nfs/dbraw/zinc/78/41/27/1067784127.db2.gz AXLCKDGAQRXEOM-QRVBRYPASA-N 0 0 452.599 4.528 20 0 JJADRN Cc1nc(-c2cc(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)n[nH]1 ZINC001461114977 1067784191 /nfs/dbraw/zinc/78/41/91/1067784191.db2.gz QHXJQCDPUPKNRE-UHFFFAOYSA-N 0 0 455.481 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC001461124143 1067785592 /nfs/dbraw/zinc/78/55/92/1067785592.db2.gz FMGHQRWVDFTMBC-YUNKPMOVSA-N 0 0 479.400 4.553 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)ccc1F ZINC001461126240 1067786318 /nfs/dbraw/zinc/78/63/18/1067786318.db2.gz SYKGGCOKQWREHP-UHFFFAOYSA-N 0 0 451.277 4.537 20 0 JJADRN COCC1(CCNC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CC1 ZINC001461125392 1067786470 /nfs/dbraw/zinc/78/64/70/1067786470.db2.gz IZFTVCSHYLGINE-UHFFFAOYSA-N 0 0 454.386 4.645 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(SCc3ccccc3)c(Br)c2)ncc1C(N)=O ZINC001461126347 1067786478 /nfs/dbraw/zinc/78/64/78/1067786478.db2.gz VAGDXODNDUHVAQ-UHFFFAOYSA-N 0 0 456.365 4.796 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)[C@@H]1SC ZINC001461137114 1067787756 /nfs/dbraw/zinc/78/77/56/1067787756.db2.gz VOZMXBHCHCAWTC-IFRJPGMASA-N 0 0 458.649 4.566 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461142784 1067788187 /nfs/dbraw/zinc/78/81/87/1067788187.db2.gz FVHOOMATWMKXEI-GUYCJALGSA-N 0 0 456.340 4.568 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461144040 1067788677 /nfs/dbraw/zinc/78/86/77/1067788677.db2.gz NQSSKCIJVNYTOB-WMLDXEAASA-N 0 0 459.331 4.932 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(-n2nncc2C)cc1 ZINC001461152471 1067790215 /nfs/dbraw/zinc/79/02/15/1067790215.db2.gz XZJBRLXPTHYUHH-UHFFFAOYSA-N 0 0 457.918 4.837 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(COc3cccc(F)c3)cc2)c1 ZINC001461155645 1067790779 /nfs/dbraw/zinc/79/07/79/1067790779.db2.gz DBAKLIVLOXHXMG-UHFFFAOYSA-N 0 0 452.551 4.701 20 0 JJADRN CC[C@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)NCc1cccs1 ZINC001461159859 1067791322 /nfs/dbraw/zinc/79/13/22/1067791322.db2.gz YROLAKSVYJJLQB-HNNXBMFYSA-N 0 0 452.502 4.522 20 0 JJADRN O=C(N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001461166130 1067791663 /nfs/dbraw/zinc/79/16/63/1067791663.db2.gz KBPLIMXXCWHMRT-JBRSBNLGSA-N 0 0 465.496 4.513 20 0 JJADRN COc1ccc(-n2ccc(CNCc3cc(Br)cc(C)c3OC(F)F)n2)cc1 ZINC001461169160 1067792016 /nfs/dbraw/zinc/79/20/16/1067792016.db2.gz FHYOVMDMOABFHP-UHFFFAOYSA-N 0 0 452.299 4.843 20 0 JJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccccc1Oc1cccc(C)c1 ZINC001461174759 1067793169 /nfs/dbraw/zinc/79/31/69/1067793169.db2.gz OEVUJGRNZJYKQJ-LJQANCHMSA-N 0 0 459.999 4.595 20 0 JJADRN COc1cc(CNCc2c(F)cc(Br)cc2F)cc(Br)c1OC ZINC001461179509 1067793895 /nfs/dbraw/zinc/79/38/95/1067793895.db2.gz HNHFFIAQBZAIQB-UHFFFAOYSA-N 0 0 451.105 4.797 20 0 JJADRN COc1ncc(Br)cc1CNCc1cc(Br)ccc1OC(F)F ZINC001461181697 1067794125 /nfs/dbraw/zinc/79/41/25/1067794125.db2.gz RDLGJDLCFGODLB-UHFFFAOYSA-N 0 0 452.093 4.506 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCC1 ZINC001546122328 1067794902 /nfs/dbraw/zinc/79/49/02/1067794902.db2.gz GUGWORCZNKUTGG-IBGZPJMESA-N 0 0 492.590 4.800 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC001461186643 1067795197 /nfs/dbraw/zinc/79/51/97/1067795197.db2.gz WUWXBLJPPZALGL-VGSWGCGISA-N 0 0 458.514 4.899 20 0 JJADRN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193822 1067796793 /nfs/dbraw/zinc/79/67/93/1067796793.db2.gz QQCWZFHQJAXWBE-FLXZTQBVSA-N 0 0 479.042 4.778 20 0 JJADRN C[C@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193834 1067796805 /nfs/dbraw/zinc/79/68/05/1067796805.db2.gz QQCWZFHQJAXWBE-ZZFALZEZSA-N 0 0 479.042 4.778 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)c(=O)oc2c1 ZINC001461195316 1067797094 /nfs/dbraw/zinc/79/70/94/1067797094.db2.gz WRUWIFLESUGQSM-TYCQWZJGSA-N 0 0 471.594 4.551 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2=O)cc1 ZINC001461194743 1067797158 /nfs/dbraw/zinc/79/71/58/1067797158.db2.gz SVYHWIRQEZVKRR-QTPAZIJBSA-N 0 0 456.627 4.501 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1)C(F)(F)F ZINC001461201556 1067798170 /nfs/dbraw/zinc/79/81/70/1067798170.db2.gz GPMOEWZOQBYQGZ-INIZCTEOSA-N 0 0 459.852 4.713 20 0 JJADRN C[C@H](Cc1ccccn1)NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001461204405 1067799057 /nfs/dbraw/zinc/79/90/57/1067799057.db2.gz NRTNNTAJCFNJOT-QGZVFWFLSA-N 0 0 450.995 4.973 20 0 JJADRN CCNC(=O)Oc1cccc(OC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 ZINC001461215061 1067800608 /nfs/dbraw/zinc/80/06/08/1067800608.db2.gz KXGFAMFJINDJIR-UHFFFAOYSA-N 0 0 459.296 4.751 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001461214478 1067800633 /nfs/dbraw/zinc/80/06/33/1067800633.db2.gz DEIYJHNZQBBPCJ-MOPGFXCFSA-N 0 0 455.860 4.566 20 0 JJADRN O=C(CCCc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 ZINC001461215340 1067800645 /nfs/dbraw/zinc/80/06/45/1067800645.db2.gz SFNFBXZJPOVQRB-UHFFFAOYSA-N 0 0 455.480 4.756 20 0 JJADRN C[C@H](CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461215937 1067801047 /nfs/dbraw/zinc/80/10/47/1067801047.db2.gz XVPMMWFWBQUMPK-KURKYZTESA-N 0 0 455.549 4.660 20 0 JJADRN COc1cc(CNc2ccc(F)cc2OCC2CC2)cc(I)c1OC ZINC001461215803 1067801214 /nfs/dbraw/zinc/80/12/14/1067801214.db2.gz BDCXCHJSTUCKDQ-UHFFFAOYSA-N 0 0 457.283 4.848 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001461217454 1067801808 /nfs/dbraw/zinc/80/18/08/1067801808.db2.gz HVKJHISSIZTGJY-FZKQIMNGSA-N 0 0 457.470 4.588 20 0 JJADRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001461219805 1067802106 /nfs/dbraw/zinc/80/21/06/1067802106.db2.gz LYARRMZVZKHBRF-QMTHXVAHSA-N 0 0 450.244 4.806 20 0 JJADRN CCOc1cc(CN[C@@H](c2noc(C)n2)c2ccccc2OC)ccc1OCC(F)(F)F ZINC001461220456 1067802152 /nfs/dbraw/zinc/80/21/52/1067802152.db2.gz DLQNEKMGVLHVOL-HXUWFJFHSA-N 0 0 451.445 4.606 20 0 JJADRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C(C)C ZINC001461222624 1067802972 /nfs/dbraw/zinc/80/29/72/1067802972.db2.gz RJQLDESSBSCIIX-MRXNPFEDSA-N 0 0 452.311 4.883 20 0 JJADRN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001461224190 1067803444 /nfs/dbraw/zinc/80/34/44/1067803444.db2.gz KUQIQMWIBZNLCJ-LBPRGKRZSA-N 0 0 458.739 4.570 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C[C@H]1c1ccccc1 ZINC001461223667 1067803452 /nfs/dbraw/zinc/80/34/52/1067803452.db2.gz PNEVNXWGCBPHDD-LEWJYISDSA-N 0 0 481.346 4.665 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cc(N2CCOC2=O)ccc1F ZINC001461230063 1067805022 /nfs/dbraw/zinc/80/50/22/1067805022.db2.gz OFFUZIUWRNFWFC-UHFFFAOYSA-N 0 0 452.404 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CNc2ccc(COC3CCCC3)cc2)C1 ZINC001461234165 1067805324 /nfs/dbraw/zinc/80/53/24/1067805324.db2.gz LRKDCJRIRFULFC-NRFANRHFSA-N 0 0 455.603 4.921 20 0 JJADRN CC(=O)N[C@H](C(=O)NCCCc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC001461234223 1067805373 /nfs/dbraw/zinc/80/53/73/1067805373.db2.gz KUMHGYSZFHGGJG-SFHVURJKSA-N 0 0 458.183 4.682 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCCc1c(Cl)cccc1Cl ZINC001461232419 1067805432 /nfs/dbraw/zinc/80/54/32/1067805432.db2.gz IPDKCHLDEGZADO-AWEZNQCLSA-N 0 0 456.167 4.931 20 0 JJADRN COc1ccc(OCc2nc(CN[C@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001461234759 1067805682 /nfs/dbraw/zinc/80/56/82/1067805682.db2.gz RSQLLCPZNNEHFY-FQEVSTJZSA-N 0 0 457.983 4.669 20 0 JJADRN CC(C)c1cc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)n1 ZINC001461239658 1067807253 /nfs/dbraw/zinc/80/72/53/1067807253.db2.gz NGKQTFSWTHWORL-UHFFFAOYSA-N 0 0 459.999 4.901 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC001461240860 1067807414 /nfs/dbraw/zinc/80/74/14/1067807414.db2.gz SUGXOURMFUWNNX-INIZCTEOSA-N 0 0 457.324 4.929 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461245391 1067808276 /nfs/dbraw/zinc/80/82/76/1067808276.db2.gz WMXDIDYUZQBSAY-NRJQMVOHSA-N 0 0 450.982 4.727 20 0 JJADRN O=C(OCc1ncc(Br)cc1Cl)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461251891 1067810418 /nfs/dbraw/zinc/81/04/18/1067810418.db2.gz AHOMOSCAWSXQNN-IAQYHMDHSA-N 0 0 450.638 4.723 20 0 JJADRN CCc1ccc([C@H](NCc2snc(OC)c2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461253036 1067810500 /nfs/dbraw/zinc/81/05/00/1067810500.db2.gz JIDDUYHXRDTKHD-FQEVSTJZSA-N 0 0 451.013 4.650 20 0 JJADRN Cc1ccc([C@@H](NCc2nccc(C)c2Br)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461253841 1067810990 /nfs/dbraw/zinc/81/09/90/1067810990.db2.gz MRUSATLGLYERNQ-JOCHJYFZSA-N 0 0 459.409 4.744 20 0 JJADRN COC(OC)[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1 ZINC001461257232 1067811765 /nfs/dbraw/zinc/81/17/65/1067811765.db2.gz UYHWWTXNLSILPU-OAQYLSRUSA-N 0 0 459.340 4.513 20 0 JJADRN COC[C@@H](C)Oc1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258056 1067812399 /nfs/dbraw/zinc/81/23/99/1067812399.db2.gz RTWXKEUIVCYMHP-IQGLISFBSA-N 0 0 457.567 4.522 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ncc3[nH]ccc3c2Br)cc(C(F)(F)F)c1 ZINC001461261287 1067812751 /nfs/dbraw/zinc/81/27/51/1067812751.db2.gz CSVZONGQUHHENW-UHFFFAOYSA-N 0 0 457.206 4.775 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC001461267101 1067814651 /nfs/dbraw/zinc/81/46/51/1067814651.db2.gz FUZHFWQWQQQVFZ-NSHDSACASA-N 0 0 458.686 4.763 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)Cc2cc(Cl)ccc2Br)C1 ZINC001461270069 1067815075 /nfs/dbraw/zinc/81/50/75/1067815075.db2.gz XUROQMZBAKTSOT-AWEZNQCLSA-N 0 0 454.723 4.553 20 0 JJADRN Cc1ccccc1-n1ncc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1C(F)F ZINC001461270899 1067815107 /nfs/dbraw/zinc/81/51/07/1067815107.db2.gz QMPUKOLZXDUPCI-MRXNPFEDSA-N 0 0 458.896 4.759 20 0 JJADRN O=C(c1ccc(F)c(I)c1)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461271734 1067815743 /nfs/dbraw/zinc/81/57/43/1067815743.db2.gz AFYWPZASTBGQIS-GUDVDZBRSA-N 0 0 451.279 4.565 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2cc3c(Br)cccc3cn2)C1 ZINC001461275995 1067816411 /nfs/dbraw/zinc/81/64/11/1067816411.db2.gz UWTJVBMRVSFDCQ-HNNXBMFYSA-N 0 0 457.299 4.519 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC001461280036 1067816664 /nfs/dbraw/zinc/81/66/64/1067816664.db2.gz BVPFSJUMMGINJL-IAGOWNOFSA-N 0 0 452.498 4.879 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c2ccccc21 ZINC001461281474 1067817023 /nfs/dbraw/zinc/81/70/23/1067817023.db2.gz FVMCGRWUYVLBBS-WIYYLYMNSA-N 0 0 454.954 4.767 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)nc1 ZINC001461281398 1067817198 /nfs/dbraw/zinc/81/71/98/1067817198.db2.gz FTCUHIKUZHGOHR-AZUAARDMSA-N 0 0 453.539 4.729 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCOc3c(F)cc(F)cc32)C1 ZINC001461282076 1067817440 /nfs/dbraw/zinc/81/74/40/1067817440.db2.gz JPFKECXTMPTNTC-ZDUSSCGKSA-N 0 0 455.288 4.549 20 0 JJADRN Fc1ccc(CNCc2csc(CCc3ccccc3)n2)c(I)c1 ZINC001461285689 1067818177 /nfs/dbraw/zinc/81/81/77/1067818177.db2.gz MJFWHJKNPXJMKA-UHFFFAOYSA-N 0 0 452.336 4.962 20 0 JJADRN CC(C)(C)n1nnc(CNC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 ZINC001461288181 1067818917 /nfs/dbraw/zinc/81/89/17/1067818917.db2.gz KUPYTIDSQZEWAM-UHFFFAOYSA-N 0 0 450.395 4.957 20 0 JJADRN COc1ccc(SCCC(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001461288988 1067819059 /nfs/dbraw/zinc/81/90/59/1067819059.db2.gz WTQFJVMDCXNYJL-PMACEKPBSA-N 0 0 457.592 4.873 20 0 JJADRN NC(=O)C1CCN(c2cccc(NCc3cc(F)ccc3Oc3cncc(Cl)c3)c2)CC1 ZINC001461293170 1067820279 /nfs/dbraw/zinc/82/02/79/1067820279.db2.gz GPYXJFDRCSBCTG-UHFFFAOYSA-N 0 0 454.933 4.980 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(c2ccc(C)c(Br)c2)C(C)C)no1 ZINC001461295181 1067820607 /nfs/dbraw/zinc/82/06/07/1067820607.db2.gz ILLHXWPSLDAFKX-CQSZACIVSA-N 0 0 454.390 4.556 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nccc(Br)c2Cl)CC[C@@H]1c1ccc(C)o1 ZINC001461295631 1067820679 /nfs/dbraw/zinc/82/06/79/1067820679.db2.gz SQKQLNJUXZABCJ-CHWSQXEVSA-N 0 0 456.724 4.700 20 0 JJADRN CC(C)(C)n1nnc(CNC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 ZINC001461296637 1067821238 /nfs/dbraw/zinc/82/12/38/1067821238.db2.gz QVXXDGIMBZTGEI-UHFFFAOYSA-N 0 0 450.395 4.957 20 0 JJADRN Cc1ccc(CN2CCOCC2)cc1NCc1cc(Cl)ccc1I ZINC001461297891 1067821416 /nfs/dbraw/zinc/82/14/16/1067821416.db2.gz XFKAHQYKQFVYCF-UHFFFAOYSA-N 0 0 456.755 4.697 20 0 JJADRN COc1ccc(NCc2cc(F)ccc2Oc2cncc(Cl)c2)cc1NS(C)(=O)=O ZINC001461303687 1067822880 /nfs/dbraw/zinc/82/28/80/1067822880.db2.gz LEIDXDRTYCJGJD-UHFFFAOYSA-N 0 0 451.907 4.659 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@@H](C)C3CCC(F)(F)CC3)n2)cc(Cl)c1OC ZINC001461303307 1067823030 /nfs/dbraw/zinc/82/30/30/1067823030.db2.gz ZYPKINQDJJOBSC-LBPRGKRZSA-N 0 0 457.905 4.670 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)NC1(c2ccccc2Br)CCC1 ZINC001461306780 1067824718 /nfs/dbraw/zinc/82/47/18/1067824718.db2.gz OTEWHNHIQPSXFX-UHFFFAOYSA-N 0 0 459.384 4.553 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNc1ccc(CC(=O)N2CCc3ccccc32)cc1)CC(F)F ZINC001461307492 1067824788 /nfs/dbraw/zinc/82/47/88/1067824788.db2.gz GGSIHANVRXKYRE-FQEVSTJZSA-N 0 0 459.537 4.779 20 0 JJADRN Cc1ccc2c(c1)C=C(C(=O)N1CCOc3c1cc(Br)cc3C(F)(F)F)CO2 ZINC001461309051 1067825076 /nfs/dbraw/zinc/82/50/76/1067825076.db2.gz ZDKWJGLVQZSJDV-UHFFFAOYSA-N 0 0 454.242 4.978 20 0 JJADRN COCCN(C(=O)/C=C/c1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461309094 1067825093 /nfs/dbraw/zinc/82/50/93/1067825093.db2.gz FJCSOJZIGRUOJZ-FMIVXFBMSA-N 0 0 456.970 4.629 20 0 JJADRN CC[C@@H](C)CN(C)c1ccc(F)cc1CNc1ccc(CC(=O)N2CCN(CC)CC2)cc1 ZINC001461316501 1067826681 /nfs/dbraw/zinc/82/66/81/1067826681.db2.gz GUPBMQQDQDDXKN-OAQYLSRUSA-N 0 0 454.634 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cccc(CNc3cccc(C(=O)NCc4ccccn4)c3)c21 ZINC001461318697 1067827228 /nfs/dbraw/zinc/82/72/28/1067827228.db2.gz RXPASSRZHKDNMT-UHFFFAOYSA-N 0 0 458.562 4.921 20 0 JJADRN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001461322166 1067827662 /nfs/dbraw/zinc/82/76/62/1067827662.db2.gz WBXKAGAJVYKVKP-HFZDXXHNSA-N 0 0 454.998 4.581 20 0 JJADRN Cc1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)c(OC[C@H]2CCCO2)c1 ZINC001461323469 1067827982 /nfs/dbraw/zinc/82/79/82/1067827982.db2.gz DUILFFXYLLGYDL-HXUWFJFHSA-N 0 0 456.384 4.995 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001461323967 1067828063 /nfs/dbraw/zinc/82/80/63/1067828063.db2.gz BHDYQSFOCGLLMR-JOCHJYFZSA-N 0 0 453.457 4.623 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)c1ccccc1 ZINC001461325742 1067828997 /nfs/dbraw/zinc/82/89/97/1067828997.db2.gz MCZGXXDTNFOMPB-AREMUKBSSA-N 0 0 455.570 4.581 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NCc2cc(Br)c(OC)c(OCC)c2)cc1 ZINC001461328288 1067830067 /nfs/dbraw/zinc/83/00/67/1067830067.db2.gz OCTMMKGFQCGILM-UHFFFAOYSA-N 0 0 457.390 4.620 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(CNc2cccc(C[S@](=O)C3CCOCC3)c2)c1 ZINC001461327367 1067830098 /nfs/dbraw/zinc/83/00/98/1067830098.db2.gz AULBWRQMQKNKRB-YTTGMZPUSA-N 0 0 458.624 4.751 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001461329792 1067830613 /nfs/dbraw/zinc/83/06/13/1067830613.db2.gz HGMGQUQBALLBQV-UHFFFAOYSA-N 0 0 453.514 4.673 20 0 JJADRN Cn1nccc1[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)OC(C)(C)C ZINC001461330900 1067830853 /nfs/dbraw/zinc/83/08/53/1067830853.db2.gz UYPBIJZSAIYELY-GOSISDBHSA-N 0 0 454.577 4.571 20 0 JJADRN CC1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c2cc(F)ccc2O1 ZINC001461334903 1067831454 /nfs/dbraw/zinc/83/14/54/1067831454.db2.gz FSZBWLMVMKIPME-QFIPXVFZSA-N 0 0 453.535 4.832 20 0 JJADRN Cc1c(CN(C)C(=O)c2ccc3ncc(I)n3c2)oc2c1cccc2C ZINC001461337309 1067832506 /nfs/dbraw/zinc/83/25/06/1067832506.db2.gz IAZARACRSRKYFX-UHFFFAOYSA-N 0 0 459.287 4.574 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3CC(=O)OC(C)(C)C)s2)cc1 ZINC001461341823 1067833739 /nfs/dbraw/zinc/83/37/39/1067833739.db2.gz KDPCRCQQTMFMRY-KRWDZBQOSA-N 0 0 458.580 4.736 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)OCC23CCC3)nnc1-c1ccc(Cl)cc1Cl ZINC001461340869 1067833904 /nfs/dbraw/zinc/83/39/04/1067833904.db2.gz IVIXYNXNFSJFFZ-ZDUSSCGKSA-N 0 0 455.411 4.534 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001461340835 1067833936 /nfs/dbraw/zinc/83/39/36/1067833936.db2.gz INTMTPRKKYNTSK-DENIHFKCSA-N 0 0 450.579 4.518 20 0 JJADRN CS(=O)(=O)c1ccccc1-n1cc(NCc2cccc(OCc3ccccc3F)c2)cn1 ZINC001461354444 1067837228 /nfs/dbraw/zinc/83/72/28/1067837228.db2.gz HZYMXLWNLGLKRK-UHFFFAOYSA-N 0 0 451.523 4.606 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCc3ccnc(Oc4ccccc4)c3)CC2)CC1 ZINC001461358633 1067838011 /nfs/dbraw/zinc/83/80/11/1067838011.db2.gz NFECIIXHAAGXBH-UHFFFAOYSA-N 0 0 451.567 4.917 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNc1cccc(-c2nnc(C)n2C)c1 ZINC001461359679 1067838043 /nfs/dbraw/zinc/83/80/43/1067838043.db2.gz SUZBDHYZKVQLBL-UHFFFAOYSA-N 0 0 451.372 4.968 20 0 JJADRN COc1cc(CNc2ccc3c(cnn3C(F)F)c2)cc(I)c1OC ZINC001461359957 1067838061 /nfs/dbraw/zinc/83/80/61/1067838061.db2.gz LRLOFXWBPSLSCR-UHFFFAOYSA-N 0 0 459.234 4.665 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001461359755 1067838207 /nfs/dbraw/zinc/83/82/07/1067838207.db2.gz ABFZBUICLQXGAW-JKSUJKDBSA-N 0 0 465.273 4.643 20 0 JJADRN CC[C@H](OCCNC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 ZINC001461360777 1067838555 /nfs/dbraw/zinc/83/85/55/1067838555.db2.gz AROCEYDQEAWQFP-NRFANRHFSA-N 0 0 451.592 4.544 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC001461377338 1067841588 /nfs/dbraw/zinc/84/15/88/1067841588.db2.gz ROVGGDBHQBSDOI-OAQYLSRUSA-N 0 0 451.494 4.604 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CCc1ccc(Br)cc1F)C2 ZINC001461379006 1067841950 /nfs/dbraw/zinc/84/19/50/1067841950.db2.gz JKKOAWJQNNZKLA-AOMKIAJQSA-N 0 0 469.395 4.674 20 0 JJADRN COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1OC1CCCC1 ZINC001461378900 1067841962 /nfs/dbraw/zinc/84/19/62/1067841962.db2.gz HHBKPLVYBNAUGL-SIBVEZHUSA-N 0 0 458.599 4.784 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001461380526 1067842411 /nfs/dbraw/zinc/84/24/11/1067842411.db2.gz OCHODMLYIOMHNF-AOMKIAJQSA-N 0 0 451.405 4.833 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461381005 1067842783 /nfs/dbraw/zinc/84/27/83/1067842783.db2.gz GWKMODSHYIXERF-HXPMCKFVSA-N 0 0 453.743 4.688 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461380997 1067842909 /nfs/dbraw/zinc/84/29/09/1067842909.db2.gz GWKMODSHYIXERF-BUXKBTBVSA-N 0 0 453.743 4.688 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3ccc(C(F)(F)F)n3)c1)C2 ZINC001461382148 1067843382 /nfs/dbraw/zinc/84/33/82/1067843382.db2.gz VCYHDLJCYXBMJW-SBUREZEXSA-N 0 0 478.515 4.658 20 0 JJADRN O=C([C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CCN([C@@H]2CCOC2)CC1 ZINC001461384784 1067844147 /nfs/dbraw/zinc/84/41/47/1067844147.db2.gz GDSKUAXNXOOZAA-WIYYLYMNSA-N 0 0 451.419 4.760 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCCCOC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001461385384 1067844236 /nfs/dbraw/zinc/84/42/36/1067844236.db2.gz KHXODUILJWNLKX-UKILVPOCSA-N 0 0 452.595 4.809 20 0 JJADRN CC(C)(C)OCCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001461384814 1067844333 /nfs/dbraw/zinc/84/43/33/1067844333.db2.gz GWASVXVSIYYAQN-UHFFFAOYSA-N 0 0 454.827 4.510 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461387647 1067844585 /nfs/dbraw/zinc/84/45/85/1067844585.db2.gz UVUKJPDBQJZCDD-UHFFFAOYSA-N 0 0 456.153 4.622 20 0 JJADRN COCc1ccc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)cc1C(F)(F)F ZINC001461392246 1067844940 /nfs/dbraw/zinc/84/49/40/1067844940.db2.gz MZOSSRMGINAEOQ-SFHVURJKSA-N 0 0 454.445 4.918 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3cnn(-c4ccc(Cl)cc4)c3)cc2C1 ZINC001461396743 1067845809 /nfs/dbraw/zinc/84/58/09/1067845809.db2.gz CADUUHYHDRUVBW-LJQANCHMSA-N 0 0 453.974 4.915 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC001461397319 1067845957 /nfs/dbraw/zinc/84/59/57/1067845957.db2.gz MJODZOXHMDZLOY-JOCHJYFZSA-N 0 0 450.579 4.817 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)CC1 ZINC001461397900 1067846177 /nfs/dbraw/zinc/84/61/77/1067846177.db2.gz PGOJFSSOUHXQMJ-DQVLVPHSSA-N 0 0 458.599 4.619 20 0 JJADRN C[C@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461400080 1067846633 /nfs/dbraw/zinc/84/66/33/1067846633.db2.gz WUWYJSNWKUKCKY-SFTDATJTSA-N 0 0 453.542 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3cc(Br)ccc3F)cc2C1 ZINC001461401564 1067846739 /nfs/dbraw/zinc/84/67/39/1067846739.db2.gz YLRPJOUQQNDNLH-MRXNPFEDSA-N 0 0 450.352 4.977 20 0 JJADRN COC[C@H](NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1cccc(OC)c1 ZINC001461401482 1067846796 /nfs/dbraw/zinc/84/67/96/1067846796.db2.gz RFCDCNIFPVZIDF-SFHVURJKSA-N 0 0 450.482 4.879 20 0 JJADRN COc1cc(CNCc2cn(C(C)(C)C)nn2)cc(Br)c1OCc1ccccc1 ZINC001461404037 1067847252 /nfs/dbraw/zinc/84/72/52/1067847252.db2.gz CHQDJCGZVKSTJI-UHFFFAOYSA-N 0 0 459.388 4.673 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461408872 1067848611 /nfs/dbraw/zinc/84/86/11/1067848611.db2.gz PTJYURYBVTVXBD-IBGZPJMESA-N 0 0 454.290 4.785 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001461410386 1067849234 /nfs/dbraw/zinc/84/92/34/1067849234.db2.gz LSMMJNWDNVOGKG-GOSISDBHSA-N 0 0 453.174 4.988 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)CCC1 ZINC001546124081 1067849296 /nfs/dbraw/zinc/84/92/96/1067849296.db2.gz KGEGKVLGQXUYBH-UHFFFAOYSA-N 0 0 474.049 4.836 20 0 JJADRN C[C@@H](C(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001461412042 1067849462 /nfs/dbraw/zinc/84/94/62/1067849462.db2.gz PINGZHIHFNPFKX-ACJLOTCBSA-N 0 0 453.174 4.915 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001461414085 1067849962 /nfs/dbraw/zinc/84/99/62/1067849962.db2.gz BFSZBIDSNCGJAG-LTMIRXACSA-N 0 0 454.533 4.794 20 0 JJADRN CCOc1cc(CNc2ccc3c(c2)nc(C(C)(C)C)n3C)ccc1O[C@H](C)C(=O)N(C)C ZINC001461413698 1067849981 /nfs/dbraw/zinc/84/99/81/1067849981.db2.gz XCEGEYMRTJDVSU-QGZVFWFLSA-N 0 0 452.599 4.737 20 0 JJADRN Cn1nc(Br)cc1CN[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001461414228 1067850197 /nfs/dbraw/zinc/85/01/97/1067850197.db2.gz ZLAXVDDUUMRSKJ-LJQANCHMSA-N 0 0 459.388 4.691 20 0 JJADRN CC(C)CN1C[C@@H](C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)CC1=O ZINC001461415147 1067850482 /nfs/dbraw/zinc/85/04/82/1067850482.db2.gz XSTJSYRZBAXTDT-ZUZCIYMTSA-N 0 0 456.686 4.754 20 0 JJADRN COCCOCc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001461415894 1067850787 /nfs/dbraw/zinc/85/07/87/1067850787.db2.gz KZMKJOWACDWLIU-QHCPKHFHSA-N 0 0 451.485 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)CCc2cc(F)ccc2Br)C2CCC2)C1 ZINC001461417224 1067851025 /nfs/dbraw/zinc/85/10/25/1067851025.db2.gz JTMBPFJUSXIBSH-UHFFFAOYSA-N 0 0 455.368 4.521 20 0 JJADRN COCC(=O)N1CCc2c1cccc2NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001461424143 1067853102 /nfs/dbraw/zinc/85/31/02/1067853102.db2.gz UTTSXJFEYJRDIF-UHFFFAOYSA-N 0 0 452.986 4.971 20 0 JJADRN CCn1ncc(C)c1NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 ZINC001461425242 1067853204 /nfs/dbraw/zinc/85/32/04/1067853204.db2.gz MFVDYBPBIQKXHQ-UHFFFAOYSA-N 0 0 455.378 4.538 20 0 JJADRN Cc1nn(-c2ccccn2)c(Cl)c1CNc1ccc(OCCNC(=O)OC(C)(C)C)cc1 ZINC001461429283 1067853887 /nfs/dbraw/zinc/85/38/87/1067853887.db2.gz ZNXZZDWTHKQHDK-UHFFFAOYSA-N 0 0 457.962 4.745 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n1 ZINC001461440120 1067856707 /nfs/dbraw/zinc/85/67/07/1067856707.db2.gz COPQHTQCGLGVKY-DYESRHJHSA-N 0 0 450.539 4.584 20 0 JJADRN CCc1c(NCc2cn(Cc3ccc(OC)cc3)nn2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001461440921 1067857356 /nfs/dbraw/zinc/85/73/56/1067857356.db2.gz NAAOEPUJXIVPLD-UHFFFAOYSA-N 0 0 456.472 4.714 20 0 JJADRN O=C(c1ccc(OC2CCCC2)cc1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461442935 1067857784 /nfs/dbraw/zinc/85/77/84/1067857784.db2.gz ABNIGBZVIAWKNC-GHTZIAJQSA-N 0 0 452.517 4.804 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC001461447316 1067858508 /nfs/dbraw/zinc/85/85/08/1067858508.db2.gz BOFVLILNEZZNPO-UHFFFAOYSA-N 0 0 453.917 4.842 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1F)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461450439 1067859468 /nfs/dbraw/zinc/85/94/68/1067859468.db2.gz WMAASKLOFOCHGU-XHDPSFHLSA-N 0 0 455.279 4.928 20 0 JJADRN COc1c(Br)cc(CNc2cccc3c2CCN3C(C)=O)cc1Br ZINC001461453167 1067860452 /nfs/dbraw/zinc/86/04/52/1067860452.db2.gz LCPVCGUWTNCILD-UHFFFAOYSA-N 0 0 454.162 4.741 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461466739 1067864044 /nfs/dbraw/zinc/86/40/44/1067864044.db2.gz FYNLYZKPYUYWCD-DHIUTWEWSA-N 0 0 478.568 4.843 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461467411 1067864424 /nfs/dbraw/zinc/86/44/24/1067864424.db2.gz APYZLZAEPUXMKZ-VFNWGFHPSA-N 0 0 456.892 4.895 20 0 JJADRN COc1cc(CNc2ccc(OC(C)C)c(C(N)=O)c2)cc(Br)c1OC(F)F ZINC001461467751 1067864477 /nfs/dbraw/zinc/86/44/77/1067864477.db2.gz WNHFYTYULKQYLE-UHFFFAOYSA-N 0 0 459.287 4.557 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc3cccnc3c2)cc1F ZINC001461469229 1067864870 /nfs/dbraw/zinc/86/48/70/1067864870.db2.gz FJQLUDWCVAGWNK-REWPJTCUSA-N 0 0 479.552 4.906 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001461468855 1067864880 /nfs/dbraw/zinc/86/48/80/1067864880.db2.gz QWQYTFSWRZHYEV-JMUQELJHSA-N 0 0 481.568 4.551 20 0 JJADRN CCC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001461470567 1067865672 /nfs/dbraw/zinc/86/56/72/1067865672.db2.gz LNKBQDOFGIFWKH-FGZHOGPDSA-N 0 0 454.542 4.941 20 0 JJADRN O=C(COc1ccc(F)cc1Br)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461470419 1067865842 /nfs/dbraw/zinc/86/58/42/1067865842.db2.gz KINZOCZRCCZGRK-HXUWFJFHSA-N 0 0 456.739 4.529 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)COc2ccc(C)cc2)cc1 ZINC001461472353 1067866405 /nfs/dbraw/zinc/86/64/05/1067866405.db2.gz DBITWQJANVLREI-ZEQRLZLVSA-N 0 0 468.594 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC001461472439 1067866414 /nfs/dbraw/zinc/86/64/14/1067866414.db2.gz ANBHUHPZYYIFQJ-VQQMMKBISA-N 0 0 456.533 4.978 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C2 ZINC001461472369 1067866435 /nfs/dbraw/zinc/86/64/35/1067866435.db2.gz ACLBNVDLYNWAQA-QLBJFCOMSA-N 0 0 464.606 4.710 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2Cc3cccc(C)c3O2)cc1 ZINC001461472580 1067866460 /nfs/dbraw/zinc/86/64/60/1067866460.db2.gz DXHTZSKZZNKGIA-KMDXXIMOSA-N 0 0 480.605 4.607 20 0 JJADRN C[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)CCN1C(=O)OC(C)(C)C ZINC001461472952 1067866935 /nfs/dbraw/zinc/86/69/35/1067866935.db2.gz QNLXSLSLTSTGOC-NEPJUHHUSA-N 0 0 456.490 4.808 20 0 JJADRN COCC[C@@H](CNc1ccc(OC(F)(F)F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461474585 1067867675 /nfs/dbraw/zinc/86/76/75/1067867675.db2.gz YACJFZCNUDVCSN-LBPRGKRZSA-N 0 0 457.287 4.689 20 0 JJADRN Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1 ZINC001461475346 1067867986 /nfs/dbraw/zinc/86/79/86/1067867986.db2.gz HVKJWDQUBMOMEE-DNQXCXABSA-N 0 0 460.578 4.704 20 0 JJADRN CSc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c2ccccn21 ZINC001461475404 1067868043 /nfs/dbraw/zinc/86/80/43/1067868043.db2.gz IPOBJEWPSZLTKA-RTBURBONSA-N 0 0 466.607 4.579 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3nc4ccccn4c3C(=O)OC(C)(C)C)c2)c(C)c1 ZINC001461477139 1067868836 /nfs/dbraw/zinc/86/88/36/1067868836.db2.gz KXCHJSCAHQAONP-UHFFFAOYSA-N 0 0 458.518 4.921 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)cc1 ZINC001461477429 1067869162 /nfs/dbraw/zinc/86/91/62/1067869162.db2.gz NLOMWWFRKRQBSF-DLTYFMDKSA-N 0 0 474.642 4.746 20 0 JJADRN CO[C@@](C)(CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)COCc1ccccc1 ZINC001461478911 1067869637 /nfs/dbraw/zinc/86/96/37/1067869637.db2.gz WPPVJOFPELJXKG-NRFANRHFSA-N 0 0 452.498 4.975 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCOc2ccccc2)cc1 ZINC001461478349 1067869690 /nfs/dbraw/zinc/86/96/90/1067869690.db2.gz QHKBKYMLBFRFEK-ZEQRLZLVSA-N 0 0 468.594 4.764 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 ZINC001461479051 1067870011 /nfs/dbraw/zinc/87/00/11/1067870011.db2.gz QGZUUIKXYCRAKT-TUACAJSNSA-N 0 0 452.595 4.810 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H](C)c2c(C)noc2C)cc1 ZINC001461479107 1067870167 /nfs/dbraw/zinc/87/01/67/1067870167.db2.gz SBZYLJHMHNXSLS-XGRCMKMKSA-N 0 0 471.598 4.703 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001461479341 1067870372 /nfs/dbraw/zinc/87/03/72/1067870372.db2.gz HGZULSFQNLSGDH-XLSPSMHOSA-N 0 0 452.542 4.664 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461479383 1067870387 /nfs/dbraw/zinc/87/03/87/1067870387.db2.gz UGNDHPIJUAPJIM-VQPPSCEASA-N 0 0 478.511 4.781 20 0 JJADRN CC[C@H](C(=O)N[C@@H](C(=O)OC)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001461480332 1067870501 /nfs/dbraw/zinc/87/05/01/1067870501.db2.gz BFKTVQRPFCDABC-WMLDXEAASA-N 0 0 458.274 4.992 20 0 JJADRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)ccc12 ZINC001461481581 1067871323 /nfs/dbraw/zinc/87/13/23/1067871323.db2.gz YTZOJOXUJLVVIW-FYYLOGMGSA-N 0 0 461.562 4.772 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3C)n2)cc1 ZINC001461487880 1067872920 /nfs/dbraw/zinc/87/29/20/1067872920.db2.gz XYCVFHCNZBEHPB-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC001461487728 1067872969 /nfs/dbraw/zinc/87/29/69/1067872969.db2.gz WHVRWDCQZSDLKJ-LJQANCHMSA-N 0 0 450.988 4.767 20 0 JJADRN Cc1nn(-c2ccccc2Cl)cc1CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001461488183 1067873523 /nfs/dbraw/zinc/87/35/23/1067873523.db2.gz PRNQTZMNZKAESE-UHFFFAOYSA-N 0 0 457.905 4.546 20 0 JJADRN CSc1cc(Br)ccc1CNc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001461492733 1067874851 /nfs/dbraw/zinc/87/48/51/1067874851.db2.gz VVPPLWZPQBJDAV-UHFFFAOYSA-N 0 0 455.443 4.841 20 0 JJADRN COc1ccc(Cn2cc(NCc3cn(-c4ccccc4Br)nc3C)cn2)cc1 ZINC001461494292 1067875590 /nfs/dbraw/zinc/87/55/90/1067875590.db2.gz KTUAXHNBRHQSLC-UHFFFAOYSA-N 0 0 452.356 4.809 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001461494338 1067875597 /nfs/dbraw/zinc/87/55/97/1067875597.db2.gz FKTPYHFFGUDTFZ-ABAIWWIYSA-N 0 0 456.399 4.671 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001461495289 1067875844 /nfs/dbraw/zinc/87/58/44/1067875844.db2.gz NJBHXHVTAHIFJD-AWEZNQCLSA-N 0 0 455.273 4.922 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC001461500792 1067877219 /nfs/dbraw/zinc/87/72/19/1067877219.db2.gz CSXSORYKYPPXJZ-RUZDIDTESA-N 0 0 452.002 4.716 20 0 JJADRN CN(CC(=O)N(C)C1CCCCC1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001461500798 1067877364 /nfs/dbraw/zinc/87/73/64/1067877364.db2.gz GANDUMOAUJDAOI-CMDGGOBGSA-N 0 0 450.423 4.987 20 0 JJADRN CCN(C(C)=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cn1 ZINC001461503366 1067877734 /nfs/dbraw/zinc/87/77/34/1067877734.db2.gz NKMGEYMIIZSVFZ-UHFFFAOYSA-N 0 0 455.518 4.568 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3Cc4ccccc4NC(=O)[C@H]3C)c2)cc1 ZINC001461505955 1067878067 /nfs/dbraw/zinc/87/80/67/1067878067.db2.gz SGKLWTOABNPZKW-HXUWFJFHSA-N 0 0 456.542 4.770 20 0 JJADRN C[C@@](CO)(NCc1ccc(F)cc1I)c1cc(Cl)cc(Cl)c1 ZINC001461508943 1067878771 /nfs/dbraw/zinc/87/87/71/1067878771.db2.gz WGXRQCVKMLRMEG-INIZCTEOSA-N 0 0 454.110 4.734 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(-n4ccccc4=O)cc3F)c2c1C ZINC001461510429 1067879076 /nfs/dbraw/zinc/87/90/76/1067879076.db2.gz VKUYHGINBBLPQT-UHFFFAOYSA-N 0 0 454.552 4.637 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1ccc(OC(F)F)c(F)c1 ZINC001461526031 1067881310 /nfs/dbraw/zinc/88/13/10/1067881310.db2.gz BGMBRAAKKJZGRZ-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN CC(C)Cn1ncc(C(=O)NCc2cc(Cl)ccc2I)c1C1CC1 ZINC001461526229 1067881366 /nfs/dbraw/zinc/88/13/66/1067881366.db2.gz FJQIYERCAVMLGS-UHFFFAOYSA-N 0 0 457.743 4.605 20 0 JJADRN O=C(CO[C@@H]1CCCc2ccccc21)NCc1cc(Cl)ccc1I ZINC001461529642 1067881636 /nfs/dbraw/zinc/88/16/36/1067881636.db2.gz SKYMQYWRZXEOAY-GOSISDBHSA-N 0 0 455.723 4.655 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1ccn(Cc2ccccc2)c1 ZINC001461528888 1067881819 /nfs/dbraw/zinc/88/18/19/1067881819.db2.gz OLEBVFPCEZDCQJ-UHFFFAOYSA-N 0 0 450.707 4.724 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001461529731 1067882167 /nfs/dbraw/zinc/88/21/67/1067882167.db2.gz PSKJBPCGVQVJDF-UHFFFAOYSA-N 0 0 455.352 4.692 20 0 JJADRN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1cc(Cl)ccc1I ZINC001461530940 1067882350 /nfs/dbraw/zinc/88/23/50/1067882350.db2.gz VWKDDZHDLSLDJG-UHFFFAOYSA-N 0 0 459.114 4.938 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCO[C@](C)(C4CC4)C3)cs2)cc1 ZINC001461532850 1067882760 /nfs/dbraw/zinc/88/27/60/1067882760.db2.gz WUAXLRUJRSAOMT-DEOSSOPVSA-N 0 0 457.596 4.722 20 0 JJADRN O[C@H](CNCc1c(Br)cncc1Br)c1c(Cl)cccc1Cl ZINC001461541279 1067884738 /nfs/dbraw/zinc/88/47/38/1067884738.db2.gz RHRGTWHUDFLBBD-CYBMUJFWSA-N 0 0 454.977 4.737 20 0 JJADRN O[C@@H](CNCc1c(Br)cncc1Br)c1c(Cl)cccc1Cl ZINC001461541282 1067884848 /nfs/dbraw/zinc/88/48/48/1067884848.db2.gz RHRGTWHUDFLBBD-ZDUSSCGKSA-N 0 0 454.977 4.737 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)CO1 ZINC001461545227 1067885581 /nfs/dbraw/zinc/88/55/81/1067885581.db2.gz XUHPGOPIHYAUCU-IBGZPJMESA-N 0 0 459.583 4.752 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCS[C@@H]3C(F)(F)F)ccc21 ZINC001461551046 1067886733 /nfs/dbraw/zinc/88/67/33/1067886733.db2.gz JTSKMYIXMAOQKR-GOSISDBHSA-N 0 0 457.518 4.634 20 0 JJADRN Cc1ccc(NCc2cccc(I)c2)cc1S(=O)(=O)C1CCCC1 ZINC001461562915 1067888800 /nfs/dbraw/zinc/88/88/00/1067888800.db2.gz CUUTYSFRYBJNIQ-UHFFFAOYSA-N 0 0 455.361 4.928 20 0 JJADRN O=C(NCCc1ccccc1)c1ccc(NCc2cccc(I)c2)cc1 ZINC001461565743 1067889743 /nfs/dbraw/zinc/88/97/43/1067889743.db2.gz SOMOTMPDKVBHKE-UHFFFAOYSA-N 0 0 456.327 4.876 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)nn1 ZINC001461568522 1067890736 /nfs/dbraw/zinc/89/07/36/1067890736.db2.gz ABOJNUNGJCSBNJ-UHFFFAOYSA-N 0 0 452.515 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cnn(C4CCCCC4)c3)cc2)C1 ZINC001461568357 1067890789 /nfs/dbraw/zinc/89/07/89/1067890789.db2.gz JYMIVBDZRMKJKV-QFIPXVFZSA-N 0 0 454.571 4.949 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)Nc3cc(C)ccc3C(F)(F)F)n2)CCCCCC1 ZINC001461573416 1067891224 /nfs/dbraw/zinc/89/12/24/1067891224.db2.gz YYWUKSPAFILBPG-UHFFFAOYSA-N 0 0 452.477 4.654 20 0 JJADRN Cc1[nH+]c2cc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2n1[C@@H](C)CO ZINC001461573176 1067891322 /nfs/dbraw/zinc/89/13/22/1067891322.db2.gz VTIMBYGPYJSCGE-KRWDZBQOSA-N 0 0 450.583 4.803 20 0 JJADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001546125434 1067892109 /nfs/dbraw/zinc/89/21/09/1067892109.db2.gz DWMKTYKNNSTKME-FXAWDEMLSA-N 0 0 482.547 4.789 20 0 JJADRN COc1ccc(C2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC2)cc1OC ZINC001461575892 1067892280 /nfs/dbraw/zinc/89/22/80/1067892280.db2.gz NRHACXHQOKPVEC-OAQYLSRUSA-N 0 0 458.599 4.564 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001461580235 1067893097 /nfs/dbraw/zinc/89/30/97/1067893097.db2.gz LLFFIJACDRDADF-UZIDKSDLSA-N 0 0 470.635 4.524 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCCc4c(OC)cc(OC)cc43)CC2(Cl)Cl)cc1 ZINC001461580478 1067893236 /nfs/dbraw/zinc/89/32/36/1067893236.db2.gz WGOSIVGCPRDJBB-JOCHJYFZSA-N 0 0 450.362 4.897 20 0 JJADRN CNS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC001461587504 1067894764 /nfs/dbraw/zinc/89/47/64/1067894764.db2.gz FJTCNXOGVAFTDD-UHFFFAOYSA-N 0 0 452.967 4.713 20 0 JJADRN CCC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001461585610 1067895090 /nfs/dbraw/zinc/89/50/90/1067895090.db2.gz RSGPBCYQJKLPDX-QGZVFWFLSA-N 0 0 457.368 4.841 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C12CCC2 ZINC001461592340 1067896333 /nfs/dbraw/zinc/89/63/33/1067896333.db2.gz BJQQCRXAOGGUHY-GUDVDZBRSA-N 0 0 453.410 4.841 20 0 JJADRN O=C(c1cccc(OCc2cccnc2)c1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461597086 1067897778 /nfs/dbraw/zinc/89/77/78/1067897778.db2.gz PZZPQUNJTHIHAZ-JOCHJYFZSA-N 0 0 453.336 4.637 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3nnn(-c4ccc(OC(C)C)cc4)c3C)nc2)c1 ZINC001461599806 1067898511 /nfs/dbraw/zinc/89/85/11/1067898511.db2.gz FSPOQNBAYICXLA-UHFFFAOYSA-N 0 0 458.522 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(CNc3ccn(-c4ccc(Cl)cc4)n3)o2)CC1 ZINC001461601648 1067899194 /nfs/dbraw/zinc/89/91/94/1067899194.db2.gz DXBCFRILICRHBN-UHFFFAOYSA-N 0 0 457.962 4.788 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1cccc2c1OCC2)Nc1cccc(C(F)(F)F)c1 ZINC001461601351 1067899239 /nfs/dbraw/zinc/89/92/39/1067899239.db2.gz QAJABJBUSJLVEW-UHFFFAOYSA-N 0 0 456.420 4.910 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)C12CCC2 ZINC001461603181 1067899457 /nfs/dbraw/zinc/89/94/57/1067899457.db2.gz UOJCCKWRBZBKSK-JZFNDMJASA-N 0 0 459.030 4.977 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001461608192 1067900790 /nfs/dbraw/zinc/90/07/90/1067900790.db2.gz MQCPYLXFRLDHHS-FYYLOGMGSA-N 0 0 450.485 4.625 20 0 JJADRN CC[C@@H](NCc1cc(Br)sc1Br)C(=O)NCc1cccs1 ZINC001461611053 1067901165 /nfs/dbraw/zinc/90/11/65/1067901165.db2.gz YPSLAXSFDPLRLR-LLVKDONJSA-N 0 0 452.237 4.519 20 0 JJADRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1c(Cl)ccc2cccnc21 ZINC001461614186 1067902282 /nfs/dbraw/zinc/90/22/82/1067902282.db2.gz NTHWADXMVZBPRR-UHFFFAOYSA-N 0 0 459.015 4.741 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001461623961 1067904068 /nfs/dbraw/zinc/90/40/68/1067904068.db2.gz GVGDQQQTPZKRDN-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)N3CC(C)(C)c4ccc(Br)cc43)CC2=O)cc1 ZINC001461625569 1067904464 /nfs/dbraw/zinc/90/44/64/1067904464.db2.gz CWDSXVPGELGKDM-AWEZNQCLSA-N 0 0 459.409 4.848 20 0 JJADRN O=C(Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001461627442 1067904951 /nfs/dbraw/zinc/90/49/51/1067904951.db2.gz IUZWFPNBFNLLBV-HZPDHXFCSA-N 0 0 464.209 4.582 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCC1 ZINC001546125837 1067905652 /nfs/dbraw/zinc/90/56/52/1067905652.db2.gz MCLMLZNUNOGRST-UYAOXDASSA-N 0 0 495.089 4.892 20 0 JJADRN COc1ccc(OCc2nc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)cs2)cc1 ZINC001461629600 1067905696 /nfs/dbraw/zinc/90/56/96/1067905696.db2.gz PNKBQPOYBXUXEZ-FQEVSTJZSA-N 0 0 459.612 4.752 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001461631879 1067906088 /nfs/dbraw/zinc/90/60/88/1067906088.db2.gz SCHRPQGWXKSATF-UHFFFAOYSA-N 0 0 451.311 4.638 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632860 1067906182 /nfs/dbraw/zinc/90/61/82/1067906182.db2.gz MPGXXVKPSHWTHH-MSOLQXFVSA-N 0 0 456.505 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC001461633067 1067906206 /nfs/dbraw/zinc/90/62/06/1067906206.db2.gz XJCLZQNRHAAJTP-DYVFJYSZSA-N 0 0 455.368 4.668 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)Cc1csc(-c3ccoc3)n1)CCC2 ZINC001461635645 1067906405 /nfs/dbraw/zinc/90/64/05/1067906405.db2.gz ROQZVVPQTUFMRU-UHFFFAOYSA-N 0 0 453.564 4.950 20 0 JJADRN Cc1c(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cccc1NC(=O)OC(C)(C)C ZINC001461636834 1067906792 /nfs/dbraw/zinc/90/67/92/1067906792.db2.gz OWLYABDDIXSGBJ-UHFFFAOYSA-N 0 0 451.523 4.747 20 0 JJADRN COCc1csc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001461637697 1067907274 /nfs/dbraw/zinc/90/72/74/1067907274.db2.gz SULAEYBROGHXBB-UHFFFAOYSA-N 0 0 459.365 4.839 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cnc1OC ZINC001461640034 1067907625 /nfs/dbraw/zinc/90/76/25/1067907625.db2.gz DPBQLMPQKCEPDJ-PGRDOPGGSA-N 0 0 451.548 4.592 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)CCSc2ccccc2Br)cc1F ZINC001461640250 1067907644 /nfs/dbraw/zinc/90/76/44/1067907644.db2.gz VRBJHTHKROAKMQ-GFCCVEGCSA-N 0 0 456.333 4.649 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1F ZINC001461640265 1067907706 /nfs/dbraw/zinc/90/77/06/1067907706.db2.gz VRKASGAPPTUHKM-NSHDSACASA-N 0 0 450.260 4.835 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)=O)CC2)CCCC1 ZINC001546125981 1067909449 /nfs/dbraw/zinc/90/94/49/1067909449.db2.gz OUGWVSJKNLGYID-SFHVURJKSA-N 0 0 460.022 4.710 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461649962 1067909719 /nfs/dbraw/zinc/90/97/19/1067909719.db2.gz AIRXUHGSXQPPPM-XMSQKQJNSA-N 0 0 478.655 4.558 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1OC ZINC001461650835 1067909755 /nfs/dbraw/zinc/90/97/55/1067909755.db2.gz GVUDQNZCBOZGCY-SFHLNBCPSA-N 0 0 462.631 4.814 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CCC1 ZINC001546125986 1067909825 /nfs/dbraw/zinc/90/98/25/1067909825.db2.gz OWBSYZBIWBRLJR-KRWDZBQOSA-N 0 0 469.527 4.822 20 0 JJADRN NC(=O)c1csc(CNC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)n1 ZINC001461656635 1067911259 /nfs/dbraw/zinc/91/12/59/1067911259.db2.gz GKPKLQNMWJCNQI-UHFFFAOYSA-N 0 0 457.964 4.864 20 0 JJADRN C[C@@H](NC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)c1cc(F)c(Br)cc1F ZINC001461658659 1067911676 /nfs/dbraw/zinc/91/16/76/1067911676.db2.gz PRKAJFGFOHAVPY-BMTQXLHTSA-N 0 0 459.331 4.837 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001461659489 1067912087 /nfs/dbraw/zinc/91/20/87/1067912087.db2.gz TYHKHBBMROQZMR-LBPRGKRZSA-N 0 0 457.340 4.585 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(F)(F)c1cccc(Br)c1 ZINC001461659889 1067912160 /nfs/dbraw/zinc/91/21/60/1067912160.db2.gz YNTCKJMJYZWFCU-UKRRQHHQSA-N 0 0 450.201 4.592 20 0 JJADRN C[C@H](NC(=O)c1cccn2ncc(Br)c12)c1cc(F)c(Br)cc1F ZINC001461660940 1067912442 /nfs/dbraw/zinc/91/24/42/1067912442.db2.gz XSUWFPZNIMMWMP-QMMMGPOBSA-N 0 0 459.088 4.629 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001461660128 1067912586 /nfs/dbraw/zinc/91/25/86/1067912586.db2.gz UUBXZRCUXSTZMU-ZWKOTPCHSA-N 0 0 455.521 4.823 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001461665090 1067913900 /nfs/dbraw/zinc/91/39/00/1067913900.db2.gz UTULLAACPLXVMT-FUHWJXTLSA-N 0 0 457.372 4.541 20 0 JJADRN O=C(N[C@@H]1CCCSc2ccc(Br)cc21)C1CCN(CC(F)(F)F)CC1 ZINC001461680843 1067917364 /nfs/dbraw/zinc/91/73/64/1067917364.db2.gz LWFOQNNOFFOIHF-OAHLLOKOSA-N 0 0 451.352 4.767 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C)cc1 ZINC001461682584 1067917488 /nfs/dbraw/zinc/91/74/88/1067917488.db2.gz CYNLHLMDTJDEGL-XZOQPEGZSA-N 0 0 451.567 4.713 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC001461685511 1067918238 /nfs/dbraw/zinc/91/82/38/1067918238.db2.gz PMCRGZWERXHIQQ-HRAATJIYSA-N 0 0 459.951 4.509 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC001461685453 1067918302 /nfs/dbraw/zinc/91/83/02/1067918302.db2.gz JMDDDBMAVHVKKO-NRFANRHFSA-N 0 0 459.587 4.642 20 0 JJADRN CCOc1cncc(COC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001461687999 1067918758 /nfs/dbraw/zinc/91/87/58/1067918758.db2.gz IRVVIBQWVPXIDA-UHFFFAOYSA-N 0 0 455.308 4.852 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC001461692815 1067919719 /nfs/dbraw/zinc/91/97/19/1067919719.db2.gz IZFXOCUKHSHXII-DNQXCXABSA-N 0 0 459.521 4.549 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)CC2=O)CC1 ZINC001461695163 1067920104 /nfs/dbraw/zinc/92/01/04/1067920104.db2.gz ZTNFGOUXJJBBLU-QYUHBMBHSA-N 0 0 455.599 4.564 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(SC)ncn2)nnc1-c1ccc(Cl)cc1Cl ZINC001461694567 1067920110 /nfs/dbraw/zinc/92/01/10/1067920110.db2.gz OHFKFLAAJCCEEH-UHFFFAOYSA-N 0 0 455.396 4.515 20 0 JJADRN O=S(=O)(c1ccccc1)[C@H]1C[C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC001461695642 1067920394 /nfs/dbraw/zinc/92/03/94/1067920394.db2.gz ASHAORXIZRTRQI-RUCARUNLSA-N 0 0 452.523 4.923 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461695198 1067920436 /nfs/dbraw/zinc/92/04/36/1067920436.db2.gz WSNZYMQVOPMEJN-STZQEDGTSA-N 0 0 457.412 4.875 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001461700056 1067921217 /nfs/dbraw/zinc/92/12/17/1067921217.db2.gz PIYZZYUACBQAEI-CJRSTVEYSA-N 0 0 468.569 4.833 20 0 JJADRN CCOc1ccc(NC(=O)COc2ccc(CNc3cccc4nccnc43)cc2OC)cc1 ZINC001461700003 1067921281 /nfs/dbraw/zinc/92/12/81/1067921281.db2.gz PYWCKIBUPYQZJF-UHFFFAOYSA-N 0 0 458.518 4.667 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(Br)ncc1Cl ZINC001461707949 1067922675 /nfs/dbraw/zinc/92/26/75/1067922675.db2.gz AJVMENNLHLHYLC-QGZVFWFLSA-N 0 0 451.748 4.579 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1 ZINC001461709444 1067923143 /nfs/dbraw/zinc/92/31/43/1067923143.db2.gz ACWLWRYHFVZDLB-DENIHFKCSA-N 0 0 455.396 4.690 20 0 JJADRN CCN(C(=O)c1cc2ncc(Br)cn2n1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461712296 1067923158 /nfs/dbraw/zinc/92/31/58/1067923158.db2.gz HRBZGTAHDPENQP-LBPRGKRZSA-N 0 0 455.278 4.604 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)c(OC)c1 ZINC001461711429 1067923273 /nfs/dbraw/zinc/92/32/73/1067923273.db2.gz FQTHDAJFILFCJL-UHFFFAOYSA-N 0 0 454.530 4.777 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)c1 ZINC001461717668 1067924006 /nfs/dbraw/zinc/92/40/06/1067924006.db2.gz HKGNFPJYVYZQDM-LBPRGKRZSA-N 0 0 452.732 4.973 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)=NN1c1ccccc1 ZINC001461720622 1067924805 /nfs/dbraw/zinc/92/48/05/1067924805.db2.gz SXFIMUKPCGKZLL-IFMALSPDSA-N 0 0 454.368 4.557 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC001461720338 1067925183 /nfs/dbraw/zinc/92/51/83/1067925183.db2.gz QWJHRDHZTPIPDX-QFIPXVFZSA-N 0 0 459.542 4.766 20 0 JJADRN COc1ccc(F)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001461721226 1067925274 /nfs/dbraw/zinc/92/52/74/1067925274.db2.gz RXFQXMJRKIQHRM-GOSISDBHSA-N 0 0 456.436 4.735 20 0 JJADRN COc1nsc(CNc2nc3ccccc3n2Cc2cccc(OC)c2)c1Br ZINC001461725440 1067926359 /nfs/dbraw/zinc/92/63/59/1067926359.db2.gz ZUVFSPZOPJFAKN-UHFFFAOYSA-N 0 0 459.369 4.933 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cc1 ZINC001461726650 1067926686 /nfs/dbraw/zinc/92/66/86/1067926686.db2.gz DNPWDKXLBHWCSP-UHFFFAOYSA-N 0 0 453.327 4.843 20 0 JJADRN CCc1c(NCc2cccc(NC(=O)c3ccc(OC)cc3)c2)nnn1Cc1ccc(F)cc1 ZINC001461728632 1067926892 /nfs/dbraw/zinc/92/68/92/1067926892.db2.gz ILPKYHFQJHHEFJ-UHFFFAOYSA-N 0 0 459.525 4.901 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)cc2)c1C(F)(F)F ZINC001461729764 1067927021 /nfs/dbraw/zinc/92/70/21/1067927021.db2.gz QJXLBYQXNLNJCR-PMACEKPBSA-N 0 0 471.479 4.990 20 0 JJADRN CCn1c(SCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)nnc1-c1ccco1 ZINC001461733769 1067927418 /nfs/dbraw/zinc/92/74/18/1067927418.db2.gz BAQJJEDSODOYIL-UHFFFAOYSA-N 0 0 450.486 4.865 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(F)cc1 ZINC001461737281 1067927835 /nfs/dbraw/zinc/92/78/35/1067927835.db2.gz ILJMMQXDUQBLGH-DVQDXYAYSA-N 0 0 458.515 4.688 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(F)cc1 ZINC001461737291 1067927857 /nfs/dbraw/zinc/92/78/57/1067927857.db2.gz ILJMMQXDUQBLGH-QXPKXGMISA-N 0 0 458.515 4.688 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001461740241 1067928480 /nfs/dbraw/zinc/92/84/80/1067928480.db2.gz MFHUTUGXRRPYMP-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001461740221 1067928558 /nfs/dbraw/zinc/92/85/58/1067928558.db2.gz ZXRQVNXCBRJKFX-WCYRKSIYSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 ZINC001461741509 1067928857 /nfs/dbraw/zinc/92/88/57/1067928857.db2.gz WRXUKLDFIHGGQJ-CMDGGOBGSA-N 0 0 456.325 4.810 20 0 JJADRN COc1cccc(-c2csc(CNc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)c1 ZINC001461749469 1067930325 /nfs/dbraw/zinc/93/03/25/1067930325.db2.gz CEJDCAHJGVUNQC-UHFFFAOYSA-N 0 0 457.621 4.851 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(Br)c[nH]c2=O)c1 ZINC001546126847 1067931354 /nfs/dbraw/zinc/93/13/54/1067931354.db2.gz GEHOQZQZOBZLFD-FPOVZHCZSA-N 0 0 453.336 4.929 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC001461756451 1067931450 /nfs/dbraw/zinc/93/14/50/1067931450.db2.gz RGNPFHSUOFGZHE-LJQANCHMSA-N 0 0 451.792 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc2ccc(Br)cc2nc1Cl ZINC001461757756 1067931477 /nfs/dbraw/zinc/93/14/77/1067931477.db2.gz KFORQWOHDMJVRE-HNNXBMFYSA-N 0 0 454.752 4.989 20 0 JJADRN Cc1nc2cccc(Cl)c2cc1C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC001461758022 1067931827 /nfs/dbraw/zinc/93/18/27/1067931827.db2.gz POSMEBWWVNUKDH-UHFFFAOYSA-N 0 0 459.933 4.658 20 0 JJADRN CC1(C)C[C@@]1(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001461758724 1067931860 /nfs/dbraw/zinc/93/18/60/1067931860.db2.gz MRHIANZSYNBALU-GBXCKJPGSA-N 0 0 455.396 4.538 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)c3cc(-n4cccc4)ccc3Cl)cc2)cc1 ZINC001461758813 1067931918 /nfs/dbraw/zinc/93/19/18/1067931918.db2.gz UKHIJQHZSPSTTN-UHFFFAOYSA-N 0 0 459.933 4.592 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)cc1 ZINC001461759160 1067932151 /nfs/dbraw/zinc/93/21/51/1067932151.db2.gz PCOOAERCUIGMEU-SANMLTNESA-N 0 0 454.636 4.738 20 0 JJADRN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001461764335 1067932684 /nfs/dbraw/zinc/93/26/84/1067932684.db2.gz FRIPNMXELMLYJY-OAHLLOKOSA-N 0 0 454.773 4.881 20 0 JJADRN COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(Cl)cc1Br ZINC001461767474 1067932977 /nfs/dbraw/zinc/93/29/77/1067932977.db2.gz CAMUWHNTRDUVBI-ZDUSSCGKSA-N 0 0 451.748 4.720 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(N)=O)c2ccccc2n1 ZINC001461770880 1067933365 /nfs/dbraw/zinc/93/33/65/1067933365.db2.gz SLKFIJKYLYFHSX-UHFFFAOYSA-N 0 0 452.923 4.583 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC001461774067 1067934870 /nfs/dbraw/zinc/93/48/70/1067934870.db2.gz HBJKKEWOIZDPFR-GOSISDBHSA-N 0 0 450.322 4.948 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)c(Br)c3F)n2)cc1 ZINC001461773811 1067934946 /nfs/dbraw/zinc/93/49/46/1067934946.db2.gz QKAXTRWAMMJZBW-UHFFFAOYSA-N 0 0 452.255 4.747 20 0 JJADRN O=C(CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1)OCc1ccc(Cl)cc1 ZINC001546127070 1067936851 /nfs/dbraw/zinc/93/68/51/1067936851.db2.gz MABRDVUEWSTVKS-UHFFFAOYSA-N 0 0 456.329 4.801 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(=O)[nH]cc2Br)c1 ZINC001546127061 1067936859 /nfs/dbraw/zinc/93/68/59/1067936859.db2.gz LYQMKSCKTLJJMV-GCJKJVERSA-N 0 0 453.336 4.929 20 0 JJADRN O=C(NCCc1ccc(I)cc1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001461790323 1067937612 /nfs/dbraw/zinc/93/76/12/1067937612.db2.gz WHNWRGYABPHWRH-OAHLLOKOSA-N 0 0 451.201 4.680 20 0 JJADRN Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001461794575 1067938205 /nfs/dbraw/zinc/93/82/05/1067938205.db2.gz IJHYKKZJFCICKF-DEOSSOPVSA-N 0 0 454.636 4.840 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC/C=C\c2ccc(Br)cc2)c1 ZINC001461797263 1067938606 /nfs/dbraw/zinc/93/86/06/1067938606.db2.gz LMOGXEPSBNDHRY-HYXAFXHYSA-N 0 0 454.361 4.604 20 0 JJADRN C[C@@]1(C(=O)NCC/C=C\c2ccc(Br)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001461800073 1067939024 /nfs/dbraw/zinc/93/90/24/1067939024.db2.gz SMOBNMONEITJAR-PGEHXBRLSA-N 0 0 455.396 4.911 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3cccc(-c4ccccn4)c3)cc2)c1C ZINC001461807295 1067940127 /nfs/dbraw/zinc/94/01/27/1067940127.db2.gz VQKISJUXACYLKV-UHFFFAOYSA-N 0 0 455.514 4.876 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)cc(C(F)(F)F)c1 ZINC001461816474 1067941331 /nfs/dbraw/zinc/94/13/31/1067941331.db2.gz SLTDZZNNYQLMSF-JTQLQIEISA-N 0 0 457.246 4.854 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](C)Oc2cc(Br)ccc21 ZINC001461818115 1067941656 /nfs/dbraw/zinc/94/16/56/1067941656.db2.gz XOTCGZUQSLNGSI-LLVKDONJSA-N 0 0 455.146 4.956 20 0 JJADRN CO[C@H](CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)C1CCCCC1 ZINC001461819415 1067941764 /nfs/dbraw/zinc/94/17/64/1067941764.db2.gz VNSQRNKPLBAHCE-OAQYLSRUSA-N 0 0 453.608 4.535 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1-c1ncco1 ZINC001461823947 1067942011 /nfs/dbraw/zinc/94/20/11/1067942011.db2.gz ICQVELVCBRGCFS-UHFFFAOYSA-N 0 0 454.408 4.984 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)OC2CCC(F)(F)CC2)c1 ZINC001461826430 1067942414 /nfs/dbraw/zinc/94/24/14/1067942414.db2.gz NSWHBINVNJSQHW-UHFFFAOYSA-N 0 0 453.507 4.563 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ncco3)ccc2Cl)C1 ZINC001461828205 1067942870 /nfs/dbraw/zinc/94/28/70/1067942870.db2.gz VXRLTRBDKBPXFW-OAHLLOKOSA-N 0 0 459.955 4.668 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)C(F)(F)F)n1 ZINC001461830112 1067943194 /nfs/dbraw/zinc/94/31/94/1067943194.db2.gz KJUYIMIBKFMXDY-OAQYLSRUSA-N 0 0 458.436 4.789 20 0 JJADRN COc1ccccc1CN(CCO)Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001461841253 1067944965 /nfs/dbraw/zinc/94/49/65/1067944965.db2.gz FSAWQCFYCOQVAG-UHFFFAOYSA-N 0 0 458.400 4.761 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cc(Br)cc(Br)c2)c1 ZINC001461846917 1067945785 /nfs/dbraw/zinc/94/57/85/1067945785.db2.gz WIKIMAULTTWRHS-GDBMZVCRSA-N 0 0 455.146 4.971 20 0 JJADRN C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001461850407 1067946625 /nfs/dbraw/zinc/94/66/25/1067946625.db2.gz MNBCPHTXWXHEOM-MRXNPFEDSA-N 0 0 454.206 4.624 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CC[C@@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853622 1067947400 /nfs/dbraw/zinc/94/74/00/1067947400.db2.gz QSQQNOGRFBTFKC-OAQYLSRUSA-N 0 0 451.592 4.875 20 0 JJADRN CN(Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001461853920 1067947694 /nfs/dbraw/zinc/94/76/94/1067947694.db2.gz OJXGKMXWNIODBR-QGZVFWFLSA-N 0 0 459.718 4.941 20 0 JJADRN COc1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)ccc1OC(=O)C1CC1 ZINC001461853743 1067947760 /nfs/dbraw/zinc/94/77/60/1067947760.db2.gz SAXDDZJKAYIIJW-UHFFFAOYSA-N 0 0 458.599 4.766 20 0 JJADRN CSc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cc1Br ZINC001461856298 1067948571 /nfs/dbraw/zinc/94/85/71/1067948571.db2.gz VNKZMMYOSRYBHY-UHFFFAOYSA-N 0 0 453.312 4.650 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001461859241 1067948785 /nfs/dbraw/zinc/94/87/85/1067948785.db2.gz VEKGKXRNZHTEIS-UHFFFAOYSA-N 0 0 456.337 4.974 20 0 JJADRN COc1ccc(C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001461859943 1067949322 /nfs/dbraw/zinc/94/93/22/1067949322.db2.gz YRMCXZXMOAMWOY-NQIIRXRSSA-N 0 0 459.608 4.888 20 0 JJADRN Brc1cc(Br)cc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC001461864782 1067950042 /nfs/dbraw/zinc/95/00/42/1067950042.db2.gz HZZPXJOFXLROMT-AWEZNQCLSA-N 0 0 450.178 4.634 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC001461868345 1067950949 /nfs/dbraw/zinc/95/09/49/1067950949.db2.gz NSGBNXFANMBARU-CQSZACIVSA-N 0 0 455.392 4.967 20 0 JJADRN CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC001461868024 1067950995 /nfs/dbraw/zinc/95/09/95/1067950995.db2.gz NNEGTHTUMCHZNR-UHFFFAOYSA-N 0 0 454.861 4.618 20 0 JJADRN O=C(OCc1ccc(O[C@H]2CCOC2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001461876895 1067952991 /nfs/dbraw/zinc/95/29/91/1067952991.db2.gz YGYVRPWSSWHVJP-SFHVURJKSA-N 0 0 450.388 4.555 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sc(N3CCCC3)nc2Cl)[C@H]1C ZINC001461879774 1067953239 /nfs/dbraw/zinc/95/32/39/1067953239.db2.gz YQCSWYYGGGYUTD-QLFBSQMISA-N 0 0 457.040 4.551 20 0 JJADRN Cn1nc2c(c1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)CCCC2 ZINC001461882203 1067953642 /nfs/dbraw/zinc/95/36/42/1067953642.db2.gz MKFNAOKWKWJMDV-QGZVFWFLSA-N 0 0 452.477 4.522 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001546127883 1067955390 /nfs/dbraw/zinc/95/53/90/1067955390.db2.gz HTBJSNZUHPXFEP-PMERELPUSA-N 0 0 490.471 4.610 20 0 JJADRN Cc1c(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891831 1067955846 /nfs/dbraw/zinc/95/58/46/1067955846.db2.gz HVXLNXUHPCAHFU-MRXNPFEDSA-N 0 0 453.004 4.945 20 0 JJADRN CCOC(=O)[C@]1(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CCCOC1 ZINC001461893801 1067956252 /nfs/dbraw/zinc/95/62/52/1067956252.db2.gz AWAGQCHTXOTLRM-VWLOTQADSA-N 0 0 452.938 4.645 20 0 JJADRN C/C(=C/c1ccccc1C(F)(F)F)CN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC001461894167 1067956275 /nfs/dbraw/zinc/95/62/75/1067956275.db2.gz CNHLETHCEITIGT-QINSGFPZSA-N 0 0 458.571 4.794 20 0 JJADRN COc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1OC ZINC001461898802 1067957027 /nfs/dbraw/zinc/95/70/27/1067957027.db2.gz LMNPKEAUHXAOGG-UHFFFAOYSA-N 0 0 450.966 4.982 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001461902024 1067958021 /nfs/dbraw/zinc/95/80/21/1067958021.db2.gz LVNJIUAAQRUWFQ-FQEVSTJZSA-N 0 0 451.380 4.874 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)c(C)s1 ZINC001461900880 1067958078 /nfs/dbraw/zinc/95/80/78/1067958078.db2.gz NUFQUPHSRQSIHI-UHFFFAOYSA-N 0 0 453.255 4.979 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CCCC1 ZINC001546127957 1067958590 /nfs/dbraw/zinc/95/85/90/1067958590.db2.gz KFKQFZRZIXGXPS-INIZCTEOSA-N 0 0 483.476 4.547 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1nc(COc2ccccc2)cs1 ZINC001461919004 1067960966 /nfs/dbraw/zinc/96/09/66/1067960966.db2.gz FXBZJHNYUMLBDX-UHFFFAOYSA-N 0 0 450.301 4.508 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC001461918755 1067961120 /nfs/dbraw/zinc/96/11/20/1067961120.db2.gz FQCXVCGGLWXODY-UHFFFAOYSA-N 0 0 450.239 4.879 20 0 JJADRN CN(Cc1c(Br)cc(F)c(F)c1N1CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC001461925665 1067962417 /nfs/dbraw/zinc/96/24/17/1067962417.db2.gz ITOKOGWEARWZSS-GOSISDBHSA-N 0 0 453.375 4.961 20 0 JJADRN O=C1OCC[C@H]2CN(Cc3ccc(Br)cc3Oc3cccc(Cl)c3)CCN12 ZINC001461933707 1067963536 /nfs/dbraw/zinc/96/35/36/1067963536.db2.gz BZOCNIIMPGRJLN-KRWDZBQOSA-N 0 0 451.748 4.921 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)Cc2ccccc2OCc2ccncc2)cc1Cl ZINC001461935495 1067964115 /nfs/dbraw/zinc/96/41/15/1067964115.db2.gz GHSDIZATIHYWDT-GOSISDBHSA-N 0 0 451.954 4.720 20 0 JJADRN COC(=O)c1ccc(CN2Cc3cc(Br)ccc3C[C@@H]2C)c(Br)c1 ZINC001461933976 1067964124 /nfs/dbraw/zinc/96/41/24/1067964124.db2.gz DKPIJTQYTJHLOA-LBPRGKRZSA-N 0 0 453.174 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3Cl)C[C@@]2(C)C1 ZINC001461937767 1067964423 /nfs/dbraw/zinc/96/44/23/1067964423.db2.gz YFJIXNRVYBNBCN-BGYRXZFFSA-N 0 0 457.796 4.822 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)nn1-c1ccccc1F ZINC001461941275 1067965222 /nfs/dbraw/zinc/96/52/22/1067965222.db2.gz PULMXMQMSSNTSJ-OAHLLOKOSA-N 0 0 457.937 4.661 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001461940166 1067965314 /nfs/dbraw/zinc/96/53/14/1067965314.db2.gz AUDDKVDEMBZKPD-UYAOXDASSA-N 0 0 458.990 4.834 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)Nc3cc(F)c(Cl)cc3I)c21 ZINC001461943946 1067966079 /nfs/dbraw/zinc/96/60/79/1067966079.db2.gz FVNLXLWUCDYGKY-UHFFFAOYSA-N 0 0 458.658 4.755 20 0 JJADRN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(F)c(Cl)cc1I ZINC001461946397 1067966393 /nfs/dbraw/zinc/96/63/93/1067966393.db2.gz POSJKSJYVMAUHM-UHFFFAOYSA-N 0 0 456.086 4.846 20 0 JJADRN O=C(Cc1csc(-c2ccccc2)n1)Oc1cc(Cl)cnc1I ZINC001461945416 1067966422 /nfs/dbraw/zinc/96/64/22/1067966422.db2.gz WKCCHYHZZUOCSE-UHFFFAOYSA-N 0 0 456.692 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)C3(CCCOCc4ccccc4)CC3)C[C@@]2(C)C1 ZINC001461946577 1067966833 /nfs/dbraw/zinc/96/68/33/1067966833.db2.gz NTCQHPIWKWIBJR-WMPKNSHKSA-N 0 0 456.627 4.869 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001461948688 1067967119 /nfs/dbraw/zinc/96/71/19/1067967119.db2.gz IHFBQUFWTGGZDU-XRHLQHRESA-N 0 0 457.574 4.632 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001461948685 1067967134 /nfs/dbraw/zinc/96/71/34/1067967134.db2.gz IHFBQUFWTGGZDU-MYUZEXMDSA-N 0 0 457.574 4.632 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001461949348 1067967535 /nfs/dbraw/zinc/96/75/35/1067967535.db2.gz MDUTZUPFUBYYGQ-RDJZCZTQSA-N 0 0 459.384 4.753 20 0 JJADRN CCn1c(SCC(=O)N(c2cccc(C)c2)C2CCOCC2)nnc1-c1cccc(C)c1 ZINC001461953851 1067968299 /nfs/dbraw/zinc/96/82/99/1067968299.db2.gz BMWRDBALXDXDID-UHFFFAOYSA-N 0 0 450.608 4.886 20 0 JJADRN CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)c1Cl ZINC001461957960 1067968790 /nfs/dbraw/zinc/96/87/90/1067968790.db2.gz XCCHTVBMCGMJNR-UHFFFAOYSA-N 0 0 452.841 4.782 20 0 JJADRN CCOc1cc(CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962019 1067969681 /nfs/dbraw/zinc/96/96/81/1067969681.db2.gz OUMGLCKGYZIIJV-GOEBONIOSA-N 0 0 457.409 4.679 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCN1C(=O)OC(C)(C)C ZINC001461963961 1067970003 /nfs/dbraw/zinc/97/00/03/1067970003.db2.gz PUFZQEGTMVZONX-QAPCUYQASA-N 0 0 470.957 4.913 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001461965429 1067970495 /nfs/dbraw/zinc/97/04/95/1067970495.db2.gz XTWSBHCPAOSLDK-XXBNENTESA-N 0 0 460.578 4.726 20 0 JJADRN O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCc2cc(F)cc(Br)c2C1 ZINC001461966311 1067970864 /nfs/dbraw/zinc/97/08/64/1067970864.db2.gz RJNPMHLNAURXRY-UHFFFAOYSA-N 0 0 451.723 4.567 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)c1cc(F)ccc1F ZINC001461968695 1067971615 /nfs/dbraw/zinc/97/16/15/1067971615.db2.gz OEYIBSFBCHNMHN-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CC(C)(C)c3cccc(Br)c32)cc1 ZINC001461973054 1067972502 /nfs/dbraw/zinc/97/25/02/1067972502.db2.gz PNGHMPXJHHUKEW-UHFFFAOYSA-N 0 0 457.397 4.755 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3CC2(C)C)cc1 ZINC001461974590 1067973033 /nfs/dbraw/zinc/97/30/33/1067973033.db2.gz YIZJLVOIESQFPY-UHFFFAOYSA-N 0 0 450.560 4.502 20 0 JJADRN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@H](C)c1sc(C)nc1C ZINC001461977717 1067973484 /nfs/dbraw/zinc/97/34/84/1067973484.db2.gz VHQGIHXANXFWMI-CQSZACIVSA-N 0 0 455.418 4.966 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1cccc(Cl)c1 ZINC001461977089 1067973533 /nfs/dbraw/zinc/97/35/33/1067973533.db2.gz GTGNDSDNKGNMLW-MRXNPFEDSA-N 0 0 456.789 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)C1 ZINC001461979628 1067973915 /nfs/dbraw/zinc/97/39/15/1067973915.db2.gz BEHUIPZRRKFDBX-GUDVDZBRSA-N 0 0 462.553 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)C1 ZINC001461978451 1067973945 /nfs/dbraw/zinc/97/39/45/1067973945.db2.gz BQKYZHUNNJMFNZ-TZRRMPRUSA-N 0 0 456.627 4.520 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c2ccccc2)cc1 ZINC001461986816 1067975602 /nfs/dbraw/zinc/97/56/02/1067975602.db2.gz BRKRAQSPVYFXGW-KCWPFWIISA-N 0 0 455.602 4.762 20 0 JJADRN CCC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1I ZINC001461996490 1067977026 /nfs/dbraw/zinc/97/70/26/1067977026.db2.gz JFIOZPLWQGYPSB-UHFFFAOYSA-N 0 0 458.093 4.899 20 0 JJADRN COCCN(C(=O)c1nnn(Cc2ccc(F)cc2F)c1C)c1cc(Cl)cc(Cl)c1 ZINC001462004913 1067978502 /nfs/dbraw/zinc/97/85/02/1067978502.db2.gz IWMYIJWMROLIQA-UHFFFAOYSA-N 0 0 455.292 4.513 20 0 JJADRN COc1ccc(NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)c2ccccc12 ZINC001462005290 1067978541 /nfs/dbraw/zinc/97/85/41/1067978541.db2.gz ADAZMMWDWPCZFV-UHFFFAOYSA-N 0 0 456.539 4.607 20 0 JJADRN CCc1[nH]c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)OC ZINC001462006390 1067978984 /nfs/dbraw/zinc/97/89/84/1067978984.db2.gz TXZNNUIKJXPMHK-UHFFFAOYSA-N 0 0 453.533 4.549 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001462012047 1067980092 /nfs/dbraw/zinc/98/00/92/1067980092.db2.gz ALYHDMHQIIDKDU-UHFFFAOYSA-N 0 0 452.711 4.883 20 0 JJADRN Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC3(CNC(=O)OC(C)(C)C)CCOCC3)c2c1 ZINC001462013388 1067980989 /nfs/dbraw/zinc/98/09/89/1067980989.db2.gz XBRIOCVXZBNULL-UHFFFAOYSA-N 0 0 453.583 4.533 20 0 JJADRN CN(C(=O)CSCC(=O)N1CCc2cc(Br)c(Cl)cc21)C1CCCCC1 ZINC001462017939 1067981903 /nfs/dbraw/zinc/98/19/03/1067981903.db2.gz DHJDWYWETHGJCX-UHFFFAOYSA-N 0 0 459.837 4.516 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN1CCN(Cc2ccc(Br)s2)CC1 ZINC001462018069 1067982265 /nfs/dbraw/zinc/98/22/65/1067982265.db2.gz CXRMSYUPZMKMML-UHFFFAOYSA-N 0 0 459.457 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NCc2nc(Cl)cs2)c1 ZINC001462025386 1067983701 /nfs/dbraw/zinc/98/37/01/1067983701.db2.gz ZUUIKBRUYGNYSY-INIZCTEOSA-N 0 0 451.976 4.965 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC001462025365 1067983728 /nfs/dbraw/zinc/98/37/28/1067983728.db2.gz BXNKTQJGVVIRGF-DFQSSKMNSA-N 0 0 457.368 4.889 20 0 JJADRN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001462026024 1067984250 /nfs/dbraw/zinc/98/42/50/1067984250.db2.gz WYSPYIDOOFOTRK-UHFFFAOYSA-N 0 0 455.986 4.503 20 0 JJADRN Fc1ccc(I)c(F)c1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001462029283 1067984420 /nfs/dbraw/zinc/98/44/20/1067984420.db2.gz DJPJGXRRGWGICZ-UHFFFAOYSA-N 0 0 451.258 4.735 20 0 JJADRN CCN(Cc1cn(C)nc1Br)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC001462033088 1067984998 /nfs/dbraw/zinc/98/49/98/1067984998.db2.gz JCINVABMUKJOCL-UHFFFAOYSA-N 0 0 450.402 4.854 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)cs1 ZINC001462031628 1067985004 /nfs/dbraw/zinc/98/50/04/1067985004.db2.gz YNOZCFITXRHXSL-UHFFFAOYSA-N 0 0 456.380 4.744 20 0 JJADRN O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001462033547 1067985026 /nfs/dbraw/zinc/98/50/26/1067985026.db2.gz MLDRVUGKGGQQRI-GHTZIAJQSA-N 0 0 464.915 4.905 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001462037352 1067986021 /nfs/dbraw/zinc/98/60/21/1067986021.db2.gz FOFNSXBFDRQFPY-UHFFFAOYSA-N 0 0 450.510 4.637 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)s1 ZINC001462041358 1067987260 /nfs/dbraw/zinc/98/72/60/1067987260.db2.gz RIFYCIXFYVNTEO-UHFFFAOYSA-N 0 0 458.469 4.698 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)s1 ZINC001462041471 1067987914 /nfs/dbraw/zinc/98/79/14/1067987914.db2.gz RXSCHFJPPHAEKD-UHFFFAOYSA-N 0 0 455.540 4.668 20 0 JJADRN CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001462045973 1067988732 /nfs/dbraw/zinc/98/87/32/1067988732.db2.gz AOGXGKZKBSXHBF-FXECBMLZSA-N 0 0 456.587 4.815 20 0 JJADRN CC(=O)OCCCc1cccc(NCc2cc(Br)cc(Br)c2N)c1 ZINC001462045734 1067988769 /nfs/dbraw/zinc/98/87/69/1067988769.db2.gz PIARWHPCELLVHR-UHFFFAOYSA-N 0 0 456.178 4.902 20 0 JJADRN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)CC1 ZINC001462050161 1067990546 /nfs/dbraw/zinc/99/05/46/1067990546.db2.gz LODDLQLBTLQKMT-DEOSSOPVSA-N 0 0 454.611 4.611 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1c2ccccc2N(C)C(=O)C1(C)C ZINC001462051137 1067990636 /nfs/dbraw/zinc/99/06/36/1067990636.db2.gz JOFYXENZPBHIGR-GFCCVEGCSA-N 0 0 451.748 4.658 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1 ZINC001462054973 1067992029 /nfs/dbraw/zinc/99/20/29/1067992029.db2.gz WADSRZCBVNAQJW-UHFFFAOYSA-N 0 0 455.407 4.962 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCC(O)(c3ccccc3)CC2)cc1Br ZINC001462055394 1067992486 /nfs/dbraw/zinc/99/24/86/1067992486.db2.gz TXGYFDRSUYNMDE-MRXNPFEDSA-N 0 0 452.364 4.753 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN(Cc3ccccc3)[C@H](CO)C3CC3)cs2)cc1 ZINC001462055338 1067992666 /nfs/dbraw/zinc/99/26/66/1067992666.db2.gz WLVBGKTUQRHUEF-XMMPIXPASA-N 0 0 451.592 4.609 20 0 JJADRN CN(C)c1cncc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 ZINC001462065189 1067994486 /nfs/dbraw/zinc/99/44/86/1067994486.db2.gz VSKPGSOWIZETAD-UHFFFAOYSA-N 0 0 453.568 4.794 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001462066251 1067995234 /nfs/dbraw/zinc/99/52/34/1067995234.db2.gz RRWSBHBHTOEZQK-UHFFFAOYSA-N 0 0 450.614 4.789 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2F)n1 ZINC001462069143 1067995742 /nfs/dbraw/zinc/99/57/42/1067995742.db2.gz SIQSDRCNDDXJKZ-UHFFFAOYSA-N 0 0 450.495 4.872 20 0 JJADRN CCOC(=O)COc1cccc(N[C@@H](C)CCc2ccc(I)cc2)c1 ZINC001462071961 1067996246 /nfs/dbraw/zinc/99/62/46/1067996246.db2.gz UFWQMZCITXKARR-HNNXBMFYSA-N 0 0 453.320 4.666 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC001462083114 1067998368 /nfs/dbraw/zinc/99/83/68/1067998368.db2.gz RZBWCQNSDURODS-UHFFFAOYSA-N 0 0 451.972 4.929 20 0 JJADRN C[S@](=O)Cc1cc(N[C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1Cl ZINC001462085750 1067998818 /nfs/dbraw/zinc/99/88/18/1067998818.db2.gz IKGPDNXKIXYHSJ-PBYQXAPXSA-N 0 0 457.036 4.579 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001462084532 1067998841 /nfs/dbraw/zinc/99/88/41/1067998841.db2.gz BVSYJMMVQBREHQ-UHFFFAOYSA-N 0 0 458.484 4.966 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CCCC1 ZINC001546129327 1068000041 /nfs/dbraw/zinc/00/00/41/1068000041.db2.gz BJVFNRYVCXBORQ-APWZRJJASA-N 0 0 464.452 4.878 20 0 JJADRN CC[C@](C)(NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1)c1ccc(F)cc1 ZINC001462102264 1068002804 /nfs/dbraw/zinc/00/28/04/1068002804.db2.gz SXBKMYPXTCJSLY-SANMLTNESA-N 0 0 450.510 4.907 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC001462105460 1068004031 /nfs/dbraw/zinc/00/40/31/1068004031.db2.gz SSCVIVODCPUYHL-NRFANRHFSA-N 0 0 459.359 4.930 20 0 JJADRN O=C(Nc1cccc(C(=O)NCc2ccc3cccnc3c2)c1)c1ccc(Br)o1 ZINC001462112046 1068006950 /nfs/dbraw/zinc/00/69/50/1068006950.db2.gz BCXKSTDJKGZSHQ-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NCc1cnc2c(C)cc(Br)cn12 ZINC001462122070 1068009421 /nfs/dbraw/zinc/00/94/21/1068009421.db2.gz ZRZOYKQSDUDKEX-UWJYYQICSA-N 0 0 456.384 4.547 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NCc1cnc2c(C)cc(Br)cn12 ZINC001462122067 1068009462 /nfs/dbraw/zinc/00/94/62/1068009462.db2.gz ZRZOYKQSDUDKEX-UTKZUKDTSA-N 0 0 456.384 4.547 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CC[C@H]4[C@H](CCCN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001462123997 1068010339 /nfs/dbraw/zinc/01/03/39/1068010339.db2.gz CDEKLPMLLGGGNC-XQFWAAQXSA-N 0 0 457.615 4.592 20 0 JJADRN COc1cc(Br)c(C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)cc1OC ZINC001462124940 1068010534 /nfs/dbraw/zinc/01/05/34/1068010534.db2.gz KLOQVJLQHMHOMN-UHFFFAOYSA-N 0 0 453.720 4.926 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCc4cc(C)cc(Br)c4C3)C2)cc1 ZINC001462127482 1068011107 /nfs/dbraw/zinc/01/11/07/1068011107.db2.gz MNYILHNSSXYPNV-HXUWFJFHSA-N 0 0 455.396 4.503 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3C[C@H](c4ccc(Br)cc4)C[C@H]3C)CC2=O)ccc1F ZINC001462129312 1068011903 /nfs/dbraw/zinc/01/19/03/1068011903.db2.gz XRDBNXDYXKYVHY-KBAYOESNSA-N 0 0 459.359 4.654 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@@H]3C)CC2=O)ccc1F ZINC001462129315 1068012016 /nfs/dbraw/zinc/01/20/16/1068012016.db2.gz XRDBNXDYXKYVHY-RYQLBKOJSA-N 0 0 459.359 4.654 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@@H]2C)CCCC1 ZINC001546129555 1068012028 /nfs/dbraw/zinc/01/20/28/1068012028.db2.gz KLORKUQXFIAAMB-HNNXBMFYSA-N 0 0 452.466 4.958 20 0 JJADRN CCOC(=O)[C@H](NC1CCC(OC2CCCC2)CC1)c1ccc(OC)c(Br)c1 ZINC001462131223 1068012217 /nfs/dbraw/zinc/01/22/17/1068012217.db2.gz QXFFPYNEGQUNMS-QYGXFBIXSA-N 0 0 454.405 4.922 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC=C(Br)C2)CCOCC1 ZINC001546129582 1068012685 /nfs/dbraw/zinc/01/26/85/1068012685.db2.gz LJCRFZUTBDFGTL-UHFFFAOYSA-N 0 0 461.404 4.649 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001462138166 1068013274 /nfs/dbraw/zinc/01/32/74/1068013274.db2.gz NAZDEEQEWNBMTR-UHFFFAOYSA-N 0 0 456.464 4.968 20 0 JJADRN CCOCCN(C(=O)c1ccc(I)cc1F)[C@H]1CCc2ccccc21 ZINC001462144466 1068014467 /nfs/dbraw/zinc/01/44/67/1068014467.db2.gz BZSSIFDWMIAAPI-IBGZPJMESA-N 0 0 453.295 4.597 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(Cc3cccc(I)c3)CC2)c1 ZINC001462145552 1068014510 /nfs/dbraw/zinc/01/45/10/1068014510.db2.gz IDDDAAPXZINJFF-UHFFFAOYSA-N 0 0 455.311 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)nc2Cl)[C@@H](c2cccnc2)C1 ZINC001462143789 1068014645 /nfs/dbraw/zinc/01/46/45/1068014645.db2.gz DCAOVBHYQJWUTO-MRXNPFEDSA-N 0 0 456.896 4.943 20 0 JJADRN CN(CCCC(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1)C(=O)c1ccncc1 ZINC001462146432 1068014818 /nfs/dbraw/zinc/01/48/18/1068014818.db2.gz NWRLIKWYFJQSCP-HOTGVXAUSA-N 0 0 454.518 4.865 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)cc1 ZINC001462146445 1068015032 /nfs/dbraw/zinc/01/50/32/1068015032.db2.gz ODHHPEALPICPDN-FCHUYYIVSA-N 0 0 463.509 4.610 20 0 JJADRN COc1cc(-c2ccccc2)ccc1CN1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC001462147065 1068015442 /nfs/dbraw/zinc/01/54/42/1068015442.db2.gz SJCRQWCMIMBMOR-HSZRJFAPSA-N 0 0 451.364 4.798 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462149132 1068015637 /nfs/dbraw/zinc/01/56/37/1068015637.db2.gz UEESGMNUMXGULV-CABCVRRESA-N 0 0 456.538 4.945 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001462150530 1068016072 /nfs/dbraw/zinc/01/60/72/1068016072.db2.gz ZCPDLSUFKJROJJ-LMMKCTJWSA-N 0 0 453.530 4.819 20 0 JJADRN CCCN(Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001462154305 1068017534 /nfs/dbraw/zinc/01/75/34/1068017534.db2.gz KIFIQDDQMOMHQH-SFHVURJKSA-N 0 0 456.587 4.557 20 0 JJADRN COc1cc(CN2C[C@@H](C)Oc3ccc(Br)cc32)cc(OC)c1OCC(F)F ZINC001462153926 1068017884 /nfs/dbraw/zinc/01/78/84/1068017884.db2.gz FJTZRIFIFPGXAJ-GFCCVEGCSA-N 0 0 458.299 4.898 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)cc1)N1CCCC[C@H]1CN1CCCC1=O ZINC001462154524 1068017917 /nfs/dbraw/zinc/01/79/17/1068017917.db2.gz FFTOYNXDIXCAQR-IBGZPJMESA-N 0 0 457.368 4.859 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC=C(COC)CC2)CCOCC1 ZINC001546129711 1068018491 /nfs/dbraw/zinc/01/84/91/1068018491.db2.gz PSYQUKWXLIWNAV-UHFFFAOYSA-N 0 0 462.541 4.536 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(F)(F)CC2)CCOCC1 ZINC001546129747 1068018995 /nfs/dbraw/zinc/01/89/95/1068018995.db2.gz RAABHKAQBFICRJ-UHFFFAOYSA-N 0 0 456.484 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3ccc(Cl)c(CN4CCOCC4)c3)C[C@@H]2C1 ZINC001462160883 1068019077 /nfs/dbraw/zinc/01/90/77/1068019077.db2.gz DPYGYNUJBDAOEX-NSHGMRRFSA-N 0 0 450.023 4.620 20 0 JJADRN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC001462163041 1068019945 /nfs/dbraw/zinc/01/99/45/1068019945.db2.gz VJLDSCUHKIDVMJ-QFIPXVFZSA-N 0 0 454.636 4.655 20 0 JJADRN Cc1nc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001462166704 1068020837 /nfs/dbraw/zinc/02/08/37/1068020837.db2.gz MSWFCWCTZWBVIV-AEFFLSMTSA-N 0 0 469.731 4.935 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC001462167661 1068020990 /nfs/dbraw/zinc/02/09/90/1068020990.db2.gz OVCQRKIUQPHLKY-HSZRJFAPSA-N 0 0 452.551 4.597 20 0 JJADRN Cc1ccc2cnccc2c1NC(=O)c1cnn(-c2ccccc2)c1I ZINC001462167713 1068021169 /nfs/dbraw/zinc/02/11/69/1068021169.db2.gz DFFDXIBFBAETPC-UHFFFAOYSA-N 0 0 454.271 4.586 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)o2)CCOCC1 ZINC001546129848 1068021714 /nfs/dbraw/zinc/02/17/14/1068021714.db2.gz WJUNNANTOBDUBT-UHFFFAOYSA-N 0 0 484.597 4.716 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)COc2ccc(Br)cc2F)c1 ZINC001462178022 1068022260 /nfs/dbraw/zinc/02/22/60/1068022260.db2.gz QHWKTZBSTQWAEY-UHFFFAOYSA-N 0 0 451.075 4.699 20 0 JJADRN CCn1c(SCC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC001462175143 1068022335 /nfs/dbraw/zinc/02/23/35/1068022335.db2.gz ACFFBKYWZHPJRY-QUCCMNQESA-N 0 0 478.952 4.635 20 0 JJADRN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178868 1068022736 /nfs/dbraw/zinc/02/27/36/1068022736.db2.gz GAYUELNPAITMEE-VQTJNVASSA-N 0 0 457.590 4.688 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001462178932 1068022831 /nfs/dbraw/zinc/02/28/31/1068022831.db2.gz WGLRXAOQQBGEFT-MANSERQUSA-N 0 0 465.432 4.779 20 0 JJADRN COC(=O)c1cnc([C@@H](C)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)s1 ZINC001462180700 1068023357 /nfs/dbraw/zinc/02/33/57/1068023357.db2.gz YRXDAJWAFNQRTB-GDBMZVCRSA-N 0 0 453.402 4.743 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001462182622 1068024423 /nfs/dbraw/zinc/02/44/23/1068024423.db2.gz WMJIZGXLNOXFHD-AABGKKOBSA-N 0 0 469.315 4.523 20 0 JJADRN O=C(Nc1cccc(C(=O)NCc2cc(F)c(Br)cc2F)c1)c1cccs1 ZINC001462185278 1068024606 /nfs/dbraw/zinc/02/46/06/1068024606.db2.gz LVNWNWKQGNFPNK-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CN[C@@H]3CCOc4c(Cl)c(Cl)ccc43)on2)C1 ZINC001462188091 1068025182 /nfs/dbraw/zinc/02/51/82/1068025182.db2.gz FFRRZJNIMPGJDI-MRXNPFEDSA-N 0 0 454.354 4.929 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N(CC1CC1)c1cccc(F)c1)Cc1ccccc1 ZINC001462190396 1068025532 /nfs/dbraw/zinc/02/55/32/1068025532.db2.gz AZQZDNZJTCMPRF-UHFFFAOYSA-N 0 0 455.574 4.596 20 0 JJADRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC001462194828 1068026448 /nfs/dbraw/zinc/02/64/48/1068026448.db2.gz WSXAALAAFWUMHE-UHFFFAOYSA-N 0 0 451.014 4.595 20 0 JJADRN O=C(NCC[C@@H]1CCSC1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001462195443 1068026473 /nfs/dbraw/zinc/02/64/73/1068026473.db2.gz PEVDNRUMRSRZOD-SECBINFHSA-N 0 0 454.852 4.750 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)/C=C\c1nc3ccccc3s1)CCO2 ZINC001462193572 1068026561 /nfs/dbraw/zinc/02/65/61/1068026561.db2.gz FPBNGBHUQJSJTN-KHPPLWFESA-N 0 0 451.548 4.760 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)[C@H](OC(C)(C)C)c1ccccc1)CCO2 ZINC001462195184 1068026761 /nfs/dbraw/zinc/02/67/61/1068026761.db2.gz KOTFDDQKTSYSOI-JOCHJYFZSA-N 0 0 454.567 4.993 20 0 JJADRN COc1cccc2c1OCC[C@H]2OC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001462195783 1068027019 /nfs/dbraw/zinc/02/70/19/1068027019.db2.gz LBOLRSRILZBPEH-MRXNPFEDSA-N 0 0 453.804 4.629 20 0 JJADRN O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N(CCN1CCOCC1)c1ccccc1F ZINC001462201191 1068027817 /nfs/dbraw/zinc/02/78/17/1068027817.db2.gz GCEMSGAGQGPWDW-UHFFFAOYSA-N 0 0 455.917 4.645 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1nn(-c2ccccc2F)c2c1CCC2 ZINC001462204999 1068028755 /nfs/dbraw/zinc/02/87/55/1068028755.db2.gz UWMIIEKRRRVUPH-UHFFFAOYSA-N 0 0 451.242 4.898 20 0 JJADRN Cc1nc(CCC(=O)N2CCN(C)Cc3ccccc32)oc1-c1ccc(Br)cc1 ZINC001462208675 1068029198 /nfs/dbraw/zinc/02/91/98/1068029198.db2.gz KVIQZTUZGWUSCS-UHFFFAOYSA-N 0 0 454.368 4.824 20 0 JJADRN O=C(NCc1ccc(OC(F)F)cc1F)c1ccc(Br)cc1Br ZINC001462208345 1068029267 /nfs/dbraw/zinc/02/92/67/1068029267.db2.gz OIESIDWFQXAXHY-UHFFFAOYSA-N 0 0 453.052 4.882 20 0 JJADRN O=C(OCc1ccc(Br)c(F)c1F)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001462209258 1068029420 /nfs/dbraw/zinc/02/94/20/1068029420.db2.gz NEABVINLNNHOFD-UHFFFAOYSA-N 0 0 458.262 4.877 20 0 JJADRN CN1C(=O)C[C@H](C(=O)OCc2ccc(Br)c(F)c2F)[C@@H]1c1cccc(Cl)c1 ZINC001462211164 1068029875 /nfs/dbraw/zinc/02/98/75/1068029875.db2.gz RWEFBGBUVNRZJA-UGSOOPFHSA-N 0 0 458.686 4.644 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC001462220690 1068031122 /nfs/dbraw/zinc/03/11/22/1068031122.db2.gz YPJUUCWDVVEHIZ-UHFFFAOYSA-N 0 0 453.649 4.617 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001462222995 1068031554 /nfs/dbraw/zinc/03/15/54/1068031554.db2.gz SXJIQGANBFHQPV-QGZVFWFLSA-N 0 0 459.443 4.799 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1cn(-c2ccc(Br)cc2)cn1 ZINC001462225868 1068033054 /nfs/dbraw/zinc/03/30/54/1068033054.db2.gz CMGPVUOOZYSRMT-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462231154 1068033999 /nfs/dbraw/zinc/03/39/99/1068033999.db2.gz QMDMBRXMSBIEHY-CYBMUJFWSA-N 0 0 451.361 4.961 20 0 JJADRN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001462233130 1068034208 /nfs/dbraw/zinc/03/42/08/1068034208.db2.gz XABJKBDLWUCBJQ-CMJOXMDJSA-N 0 0 450.888 4.734 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462233287 1068034407 /nfs/dbraw/zinc/03/44/07/1068034407.db2.gz KSQDDEGZNNKCGL-OAHLLOKOSA-N 0 0 455.690 4.894 20 0 JJADRN C[C@H](NC(=O)c1cccc2[nH]c(=O)n(CC(C)(C)C)c21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462237080 1068035270 /nfs/dbraw/zinc/03/52/70/1068035270.db2.gz FUDFSMGPIKTJQI-INIZCTEOSA-N 0 0 458.603 4.553 20 0 JJADRN C[C@H](NC(=O)c1cccnc1OCc1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462235397 1068035423 /nfs/dbraw/zinc/03/54/23/1068035423.db2.gz NKQPNZXEOXYSOC-KRWDZBQOSA-N 0 0 457.546 4.565 20 0 JJADRN COc1c(NC2CCN(Cc3c(F)cccc3Cl)CC2)cc(Cl)cc1C(=O)N(C)C ZINC001462239995 1068035639 /nfs/dbraw/zinc/03/56/39/1068035639.db2.gz OCIDAUMHSWJMPU-UHFFFAOYSA-N 0 0 454.373 4.919 20 0 JJADRN O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001462241292 1068035796 /nfs/dbraw/zinc/03/57/96/1068035796.db2.gz HAQAWAHCDQCYHY-UHFFFAOYSA-N 0 0 458.362 4.842 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC001462241132 1068035865 /nfs/dbraw/zinc/03/58/65/1068035865.db2.gz GHLMFOWHKIAWOH-ROUUACIJSA-N 0 0 456.505 4.594 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCC12CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC001462241123 1068035904 /nfs/dbraw/zinc/03/59/04/1068035904.db2.gz GHLMFOWHKIAWOH-MSOLQXFVSA-N 0 0 456.505 4.594 20 0 JJADRN O=C(NC[C@H]1CCC12CCOCC2)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462243807 1068036821 /nfs/dbraw/zinc/03/68/21/1068036821.db2.gz NNEHKOCGLZVKBL-CQSZACIVSA-N 0 0 455.395 4.505 20 0 JJADRN O=C(NC[C@@H]1CCC12CCOCC2)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462243804 1068036930 /nfs/dbraw/zinc/03/69/30/1068036930.db2.gz NNEHKOCGLZVKBL-AWEZNQCLSA-N 0 0 455.395 4.505 20 0 JJADRN O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)C1(Cc2ccccc2Br)CC1 ZINC001462245537 1068036945 /nfs/dbraw/zinc/03/69/45/1068036945.db2.gz UCRDKSCWIGAFTA-UHFFFAOYSA-N 0 0 456.306 4.640 20 0 JJADRN CC(C)[C@@H]1N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC12CCCCCC2 ZINC001462244018 1068037083 /nfs/dbraw/zinc/03/70/83/1068037083.db2.gz KDJIVFRMMXGZMD-APWZRJJASA-N 0 0 459.077 4.762 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1OC ZINC001462245927 1068037706 /nfs/dbraw/zinc/03/77/06/1068037706.db2.gz OBVSIVQUCMIWJT-QGZVFWFLSA-N 0 0 452.320 4.679 20 0 JJADRN Cn1cc(Br)c(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1=O ZINC001462256456 1068038957 /nfs/dbraw/zinc/03/89/57/1068038957.db2.gz QLDVRRSHKNNTBU-OAHLLOKOSA-N 0 0 457.290 4.575 20 0 JJADRN COCCN(CC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C)C(=O)OC(C)(C)C ZINC001462257802 1068039438 /nfs/dbraw/zinc/03/94/38/1068039438.db2.gz TTYQJTGGNJVREV-SFHVURJKSA-N 0 0 458.521 4.683 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256656 1068039474 /nfs/dbraw/zinc/03/94/74/1068039474.db2.gz CYLPCJKNEBWDPG-NSDNCLLMSA-N 0 0 452.904 4.698 20 0 JJADRN COC(=O)C[C@@H](NC(=O)/C=C\C1CCCCCC1)c1cccc(I)c1 ZINC001462259692 1068040141 /nfs/dbraw/zinc/04/01/41/1068040141.db2.gz MTBJUJNXCGZWOJ-YUIUBULTSA-N 0 0 455.336 4.538 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2c(F)cccc2OC(F)(F)F)c1 ZINC001462261567 1068040580 /nfs/dbraw/zinc/04/05/80/1068040580.db2.gz VCGMONLMCVRKQL-MRXNPFEDSA-N 0 0 452.242 4.661 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462261490 1068040724 /nfs/dbraw/zinc/04/07/24/1068040724.db2.gz YWMAHWVWZMDJJM-LLVKDONJSA-N 0 0 455.026 4.770 20 0 JJADRN O=C(NCc1noc2ccc(F)cc12)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001462266942 1068041069 /nfs/dbraw/zinc/04/10/69/1068041069.db2.gz GUHFKEUEBQONAX-UHFFFAOYSA-N 0 0 456.827 4.567 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@@H]1CCO[C@@H]1C ZINC001462295529 1068045845 /nfs/dbraw/zinc/04/58/45/1068045845.db2.gz JYRMQLRGIACKFB-VGOFRKELSA-N 0 0 450.000 4.584 20 0 JJADRN CN(CCCC(=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1)C(=O)c1ccncc1 ZINC001462304696 1068047470 /nfs/dbraw/zinc/04/74/70/1068047470.db2.gz AVYFIOIWQVCUIO-DEOSSOPVSA-N 0 0 457.574 4.960 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Oc1c(Cl)cccc1Br ZINC001462308642 1068047837 /nfs/dbraw/zinc/04/78/37/1068047837.db2.gz NHURWCCSXAVCJN-LLVKDONJSA-N 0 0 450.782 4.751 20 0 JJADRN COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)n2c1CCCC2 ZINC001462305689 1068047845 /nfs/dbraw/zinc/04/78/45/1068047845.db2.gz NQECFAGYKDRVJH-UHFFFAOYSA-N 0 0 453.583 4.677 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001462307581 1068047920 /nfs/dbraw/zinc/04/79/20/1068047920.db2.gz OYGLFTYKLYORLP-GDBMZVCRSA-N 0 0 454.436 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310101 1068048063 /nfs/dbraw/zinc/04/80/63/1068048063.db2.gz ABFLSCKCMLTZIF-DENIHFKCSA-N 0 0 458.521 4.996 20 0 JJADRN COc1cc(CN2CCC[C@H]2c2ccc(Br)cn2)cc(OC)c1OCC(F)F ZINC001462309217 1068048164 /nfs/dbraw/zinc/04/81/64/1068048164.db2.gz IHHSLRQYNNCUPP-INIZCTEOSA-N 0 0 457.315 4.842 20 0 JJADRN CCOc1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)ccc1OC(=O)CC ZINC001462309014 1068048199 /nfs/dbraw/zinc/04/81/99/1068048199.db2.gz SFGZBTFWUFOADK-OAQYLSRUSA-N 0 0 453.457 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310115 1068048275 /nfs/dbraw/zinc/04/82/75/1068048275.db2.gz ABFLSCKCMLTZIF-UGKGYDQZSA-N 0 0 458.521 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310105 1068048359 /nfs/dbraw/zinc/04/83/59/1068048359.db2.gz ABFLSCKCMLTZIF-KNQAVFIVSA-N 0 0 458.521 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC001462310110 1068048388 /nfs/dbraw/zinc/04/83/88/1068048388.db2.gz ABFLSCKCMLTZIF-SIKLNZKXSA-N 0 0 458.521 4.996 20 0 JJADRN COc1ccccc1-c1ccnc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)n1 ZINC001462311719 1068049359 /nfs/dbraw/zinc/04/93/59/1068049359.db2.gz BDUCEAIUYPPJAB-QHCPKHFHSA-N 0 0 457.452 4.759 20 0 JJADRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2scc(Br)c2c1 ZINC001462313488 1068049611 /nfs/dbraw/zinc/04/96/11/1068049611.db2.gz FCTMDVZVYJOWRD-LJQANCHMSA-N 0 0 459.409 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CSCc1coc(-c2ccccc2)n1 ZINC001462323107 1068051139 /nfs/dbraw/zinc/05/11/39/1068051139.db2.gz GEOADMIWWUQDLJ-UXHICEINSA-N 0 0 457.596 4.575 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)c4nn(C(C)(C)C)cc4Br)c3)[nH]c2n1 ZINC001462327510 1068051918 /nfs/dbraw/zinc/05/19/18/1068051918.db2.gz TUBUQBRJSYSRFE-UHFFFAOYSA-N 0 0 453.344 4.900 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C4CCCCC4)c3)[nH]c2n1 ZINC001462328526 1068052223 /nfs/dbraw/zinc/05/22/23/1068052223.db2.gz ZFYBCHMIFWDPQN-OAQYLSRUSA-N 0 0 454.596 4.644 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccccc1OC ZINC001462332818 1068052499 /nfs/dbraw/zinc/05/24/99/1068052499.db2.gz LZRITWAEQOIZHS-MZYLBHOOSA-N 0 0 452.595 4.988 20 0 JJADRN CC[C@H](NC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC ZINC001462334933 1068053651 /nfs/dbraw/zinc/05/36/51/1068053651.db2.gz QRQPNXLLWMKJFT-QUCCMNQESA-N 0 0 456.587 4.653 20 0 JJADRN Cc1cc(Br)cc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1OC(F)F ZINC001462337873 1068054087 /nfs/dbraw/zinc/05/40/87/1068054087.db2.gz NTZGBVDHDYJBST-NRFANRHFSA-N 0 0 452.295 4.969 20 0 JJADRN O=C(Cc1ccccc1N1CCCC1=O)Nc1ccc(Br)c(Br)c1 ZINC001462340603 1068054413 /nfs/dbraw/zinc/05/44/13/1068054413.db2.gz MRTIAANPZMJOMI-UHFFFAOYSA-N 0 0 452.146 4.520 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NCc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC001462340852 1068054596 /nfs/dbraw/zinc/05/45/96/1068054596.db2.gz RVULUAKMWFUPCD-SJLPKXTDSA-N 0 0 455.828 4.792 20 0 JJADRN COC(=O)[C@@H](C)c1cccc(NC2CCN(C(=O)c3ccc(Br)cc3C)CC2)c1 ZINC001462340402 1068054818 /nfs/dbraw/zinc/05/48/18/1068054818.db2.gz WWMFLZHZCBCXTN-INIZCTEOSA-N 0 0 459.384 4.751 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)nn1-c1ccccc1Cl ZINC001462346804 1068056231 /nfs/dbraw/zinc/05/62/31/1068056231.db2.gz ARQOCOSXEZEHPO-FXAWDEMLSA-N 0 0 458.990 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cc(Br)cc2F)C1 ZINC001462349549 1068057017 /nfs/dbraw/zinc/05/70/17/1068057017.db2.gz OKYDQFAQKLOOSO-BLLLJJGKSA-N 0 0 459.331 4.589 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462350694 1068057302 /nfs/dbraw/zinc/05/73/02/1068057302.db2.gz SSLHJAZQSIGMPG-IEBWSBKVSA-N 0 0 458.990 4.696 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)nc21 ZINC001462358643 1068058603 /nfs/dbraw/zinc/05/86/03/1068058603.db2.gz BVJWJEGGENTRPV-UHFFFAOYSA-N 0 0 457.943 4.923 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001462360749 1068059541 /nfs/dbraw/zinc/05/95/41/1068059541.db2.gz LZPUVGDDMDOHLX-UHFFFAOYSA-N 0 0 453.951 4.611 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)c1cccc(C)c1 ZINC001462365017 1068060677 /nfs/dbraw/zinc/06/06/77/1068060677.db2.gz NDAVNXAYMRBORQ-RPBOFIJWSA-N 0 0 458.558 4.585 20 0 JJADRN COCCC1(NC(=O)CCc2c(Cl)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462375804 1068062536 /nfs/dbraw/zinc/06/25/36/1068062536.db2.gz VQAYFSLWCJYMNH-UHFFFAOYSA-N 0 0 459.414 4.848 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc3[nH]ccc32)c1 ZINC001462379190 1068062844 /nfs/dbraw/zinc/06/28/44/1068062844.db2.gz JUXWWLIVCWOHML-UHFFFAOYSA-N 0 0 453.951 4.576 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001462377767 1068062860 /nfs/dbraw/zinc/06/28/60/1068062860.db2.gz LIAHKNQCUAWBGA-BMGDILEWSA-N 0 0 451.158 4.597 20 0 JJADRN COC(=O)c1c(C)sc(C)c1NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001462385175 1068063667 /nfs/dbraw/zinc/06/36/67/1068063667.db2.gz FWVDBXDNLMEDEC-UHFFFAOYSA-N 0 0 450.442 4.956 20 0 JJADRN COc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1C(=O)c1ccccc1 ZINC001462398784 1068065648 /nfs/dbraw/zinc/06/56/48/1068065648.db2.gz YAGBULGRINBKMC-UHFFFAOYSA-N 0 0 454.408 4.548 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)cc1 ZINC001462404781 1068066454 /nfs/dbraw/zinc/06/64/54/1068066454.db2.gz CZSJFYIQMZRBBE-GIDUJCDVSA-N 0 0 450.516 4.838 20 0 JJADRN COc1ccc(CN2CCN(c3cc(OC)ccc3Cl)CC2)c(OCc2cccnc2)c1 ZINC001462402782 1068066489 /nfs/dbraw/zinc/06/64/89/1068066489.db2.gz KMIONUASDYXKOI-UHFFFAOYSA-N 0 0 453.970 4.653 20 0 JJADRN CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)cc1C(C)C ZINC001462402260 1068066555 /nfs/dbraw/zinc/06/65/55/1068066555.db2.gz QGNOUCOQGPUWKO-QFIPXVFZSA-N 0 0 454.567 4.859 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001462403598 1068066616 /nfs/dbraw/zinc/06/66/16/1068066616.db2.gz UHUGPESXRMLEPA-YLJYHZDGSA-N 0 0 461.027 4.921 20 0 JJADRN COc1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC001462403564 1068066689 /nfs/dbraw/zinc/06/66/89/1068066689.db2.gz TVKBMSWAUURCRN-YLJYHZDGSA-N 0 0 458.624 4.569 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2)no1 ZINC001462405742 1068066883 /nfs/dbraw/zinc/06/68/83/1068066883.db2.gz HALKMMZDFRSOHU-LJQANCHMSA-N 0 0 456.587 4.845 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)c2cc(=O)n(C)cc2Br)c2cccs2)cc1 ZINC001462408425 1068066948 /nfs/dbraw/zinc/06/69/48/1068066948.db2.gz ASOCLEIZJIEAIB-NRFANRHFSA-N 0 0 459.409 4.927 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001546131407 1068067476 /nfs/dbraw/zinc/06/74/76/1068067476.db2.gz ZBSITRCQVCIMDM-UHFFFAOYSA-N 0 0 480.476 4.700 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)C1(C)C ZINC001462410957 1068068584 /nfs/dbraw/zinc/06/85/84/1068068584.db2.gz KURCNKNQYDZDDJ-IIBYNOLFSA-N 0 0 453.514 4.643 20 0 JJADRN COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412933 1068069022 /nfs/dbraw/zinc/06/90/22/1068069022.db2.gz HIVLMMQAQFIRIY-HEIXFDNSSA-N 0 0 464.503 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)CCCNC(=O)c2ccsc2)C1(C)C ZINC001462413575 1068069458 /nfs/dbraw/zinc/06/94/58/1068069458.db2.gz YDBMSRINZKQTAL-FQEVSTJZSA-N 0 0 457.596 4.649 20 0 JJADRN Cc1cccc(OC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c1Br ZINC001462414354 1068069671 /nfs/dbraw/zinc/06/96/71/1068069671.db2.gz YPBGDMICGJJLSE-UHFFFAOYSA-N 0 0 452.304 4.893 20 0 JJADRN CC[C@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1cccc(C(F)(F)F)c1 ZINC001462416900 1068070244 /nfs/dbraw/zinc/07/02/44/1068070244.db2.gz DPWCASYVBFFJRS-ZDUSSCGKSA-N 0 0 457.246 4.931 20 0 JJADRN CC[C@@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1cccc(C(F)(F)F)c1 ZINC001462416898 1068070437 /nfs/dbraw/zinc/07/04/37/1068070437.db2.gz DPWCASYVBFFJRS-CYBMUJFWSA-N 0 0 457.246 4.931 20 0 JJADRN Fc1ccc(C(F)(F)F)c(Br)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001462420207 1068070852 /nfs/dbraw/zinc/07/08/52/1068070852.db2.gz DEKJWDMBSLEBFL-RBUKOAKNSA-N 0 0 473.308 4.692 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C2CCCCC2)C2CCCCC2)s1 ZINC001462422475 1068071237 /nfs/dbraw/zinc/07/12/37/1068071237.db2.gz UWWSPIHTAJEHFB-HXUWFJFHSA-N 0 0 452.686 4.855 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC(C2CCCCC2)C2CCCCC2)s1 ZINC001462422470 1068071275 /nfs/dbraw/zinc/07/12/75/1068071275.db2.gz UWWSPIHTAJEHFB-FQEVSTJZSA-N 0 0 452.686 4.855 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc([C@H](F)C(F)(F)F)cc3)CC2)cc1 ZINC001462423956 1068071632 /nfs/dbraw/zinc/07/16/32/1068071632.db2.gz BMAQXRQVDXAEMQ-IBGZPJMESA-N 0 0 458.477 4.607 20 0 JJADRN O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1cc(Br)ncc1Br ZINC001462426699 1068072246 /nfs/dbraw/zinc/07/22/46/1068072246.db2.gz QAYKXMSNWPQCBC-LBPRGKRZSA-N 0 0 454.496 4.996 20 0 JJADRN COc1ccc2sc(C(=O)N[C@H]3CCc4cc(Br)ccc4NC3=O)c(C)c2c1 ZINC001462425589 1068072388 /nfs/dbraw/zinc/07/23/88/1068072388.db2.gz MFPMGKFEWGRUHU-KRWDZBQOSA-N 0 0 459.365 4.664 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1c(Cl)cccc1Cl ZINC001462429073 1068072688 /nfs/dbraw/zinc/07/26/88/1068072688.db2.gz UWQNZGAZNFAGMT-MGPLVRAMSA-N 0 0 456.167 4.929 20 0 JJADRN CCS(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC001462428356 1068072766 /nfs/dbraw/zinc/07/27/66/1068072766.db2.gz SVBAKLKTIUVNMV-CQSZACIVSA-N 0 0 459.395 4.587 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Oc2c(C)ccc3ccccc32)cc1 ZINC001462430454 1068073005 /nfs/dbraw/zinc/07/30/05/1068073005.db2.gz YAMGONYCEFVDRA-UHFFFAOYSA-N 0 0 451.544 4.992 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462436657 1068074301 /nfs/dbraw/zinc/07/43/01/1068074301.db2.gz HFSRIOIAFQCDBY-SFHVURJKSA-N 0 0 450.760 4.834 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccncc3-c3ccccc3)[nH]c(=O)c2c1C ZINC001462439667 1068074451 /nfs/dbraw/zinc/07/44/51/1068074451.db2.gz PFYCRFGBZCCICV-HNNXBMFYSA-N 0 0 450.589 4.758 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439689 1068074623 /nfs/dbraw/zinc/07/46/23/1068074623.db2.gz JETTWMXSTVQGAX-AOMKIAJQSA-N 0 0 452.904 4.864 20 0 JJADRN COc1cc(CN2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)cc(C(F)(F)F)c1 ZINC001462446826 1068076090 /nfs/dbraw/zinc/07/60/90/1068076090.db2.gz ROXHUVOKVQRJCU-UHFFFAOYSA-N 0 0 453.505 4.967 20 0 JJADRN O=C(c1ccc(Cl)c(I)c1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001462447129 1068076148 /nfs/dbraw/zinc/07/61/48/1068076148.db2.gz XQVCDENBXABJEG-OAHLLOKOSA-N 0 0 452.723 4.569 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc(OCC)c1OCC ZINC001462445805 1068076316 /nfs/dbraw/zinc/07/63/16/1068076316.db2.gz TVLOQJCNAFREMB-HXUWFJFHSA-N 0 0 455.551 4.686 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445686 1068076366 /nfs/dbraw/zinc/07/63/66/1068076366.db2.gz QEONOPQVYJCMEN-WPVDLGPGSA-N 0 0 450.526 4.672 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001462451118 1068077592 /nfs/dbraw/zinc/07/75/92/1068077592.db2.gz IYWVNLBCGIFDAQ-ZDUSSCGKSA-N 0 0 450.686 4.554 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1cc(Cl)cc(Br)c1 ZINC001462452337 1068077887 /nfs/dbraw/zinc/07/78/87/1068077887.db2.gz QEVUCUMHAWXTTK-UHFFFAOYSA-N 0 0 459.771 4.735 20 0 JJADRN Cn1cc(CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)c2ccc(Br)cc2)cn1 ZINC001462456219 1068078140 /nfs/dbraw/zinc/07/81/40/1068078140.db2.gz DKXOADJZZDIFTN-HXUWFJFHSA-N 0 0 454.368 4.924 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCCc1cc(Cl)cc(Br)c1 ZINC001462454081 1068078188 /nfs/dbraw/zinc/07/81/88/1068078188.db2.gz YCYWVAMKOMYDRC-UHFFFAOYSA-N 0 0 450.682 4.945 20 0 JJADRN Cc1nc(C2CCC2)sc1CC(=O)N(Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC001462455413 1068078272 /nfs/dbraw/zinc/07/82/72/1068078272.db2.gz PCJBYRPAHFMCHI-UHFFFAOYSA-N 0 0 459.413 4.991 20 0 JJADRN Cc1noc(C2CC2)c1NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001546131739 1068078381 /nfs/dbraw/zinc/07/83/81/1068078381.db2.gz KBOCCOMKNHQUKS-CQSZACIVSA-N 0 0 453.461 4.742 20 0 JJADRN CCOc1ccc(C(=O)N(Cc2cnn(C)c2)c2ccc(Br)cc2)cc1OCC ZINC001462457065 1068078832 /nfs/dbraw/zinc/07/88/32/1068078832.db2.gz GVZVTAGWMGZECK-UHFFFAOYSA-N 0 0 458.356 4.827 20 0 JJADRN Cn1cc(CN(C(=O)CSc2ccc(F)c(F)c2)c2ccc(Br)cc2)cn1 ZINC001462460549 1068079143 /nfs/dbraw/zinc/07/91/43/1068079143.db2.gz WKMCSHJOHIVPJJ-UHFFFAOYSA-N 0 0 452.324 4.786 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CC[C@@H](c3nccs3)C2)cs1 ZINC001462461260 1068079254 /nfs/dbraw/zinc/07/92/54/1068079254.db2.gz GGAQYBDELMHFCA-LLVKDONJSA-N 0 0 450.383 4.667 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cnn(C(C)C)c3-c3ccccc3)C2)nc1C ZINC001462469159 1068081082 /nfs/dbraw/zinc/08/10/82/1068081082.db2.gz XUZYHHQWMRVNNO-SFHVURJKSA-N 0 0 452.580 4.702 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001462473174 1068081334 /nfs/dbraw/zinc/08/13/34/1068081334.db2.gz QRGWFQWBYJFFMZ-QGZVFWFLSA-N 0 0 454.112 4.739 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)OC1 ZINC001462477999 1068081825 /nfs/dbraw/zinc/08/18/25/1068081825.db2.gz SIOPFCMGKAIXDG-INIZCTEOSA-N 0 0 454.368 4.994 20 0 JJADRN CCOC(=O)[C@@H]1CN(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCC1(F)F ZINC001462477114 1068081832 /nfs/dbraw/zinc/08/18/32/1068081832.db2.gz ICTPFUFUNMHSOG-KRWDZBQOSA-N 0 0 457.930 4.501 20 0 JJADRN COc1ccc([C@@H]2CCN(Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480654 1068082462 /nfs/dbraw/zinc/08/24/62/1068082462.db2.gz OEWSPGALPWQQJW-GFCCVEGCSA-N 0 0 458.169 4.931 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CNc2cccc(-c3nnnn3C(C)C)c2)cc1 ZINC001462484393 1068082806 /nfs/dbraw/zinc/08/28/06/1068082806.db2.gz WRLFMKZIQOEGFW-UHFFFAOYSA-N 0 0 457.534 4.899 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCCc1ccns1 ZINC001462484571 1068083386 /nfs/dbraw/zinc/08/33/86/1068083386.db2.gz IDROCJQNZGUUSD-CYBMUJFWSA-N 0 0 456.618 4.501 20 0 JJADRN CC(C)(C)c1ccc(I)c(OC(=O)c2ccc(C3OCCO3)cc2)c1 ZINC001462494720 1068084754 /nfs/dbraw/zinc/08/47/54/1068084754.db2.gz YNNOUCCVERIKPU-UHFFFAOYSA-N 0 0 452.288 4.853 20 0 JJADRN FC(F)(F)c1ccc2c(c1)CN(Cc1ccc(Br)cc1N1CCOCC1)CC2 ZINC001462496303 1068085397 /nfs/dbraw/zinc/08/53/97/1068085397.db2.gz LVJDXMDIAWZEHV-UHFFFAOYSA-N 0 0 455.318 4.863 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001462497837 1068085625 /nfs/dbraw/zinc/08/56/25/1068085625.db2.gz RJWAPADCHCNSFW-GOSISDBHSA-N 0 0 457.493 4.525 20 0 JJADRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(Br)cn2ccnc12 ZINC001462497462 1068085652 /nfs/dbraw/zinc/08/56/52/1068085652.db2.gz VERQXTUSWFQNIA-FQEVSTJZSA-N 0 0 452.274 4.752 20 0 JJADRN CNC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001462499100 1068085942 /nfs/dbraw/zinc/08/59/42/1068085942.db2.gz NXFMVDLRNJZCLD-HXUWFJFHSA-N 0 0 458.603 4.608 20 0 JJADRN CNC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001462499098 1068086085 /nfs/dbraw/zinc/08/60/85/1068086085.db2.gz NXFMVDLRNJZCLD-FQEVSTJZSA-N 0 0 458.603 4.608 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001462502748 1068086972 /nfs/dbraw/zinc/08/69/72/1068086972.db2.gz VGIWKVBSOLYDSO-HNNXBMFYSA-N 0 0 453.370 4.699 20 0 JJADRN Cc1ccc2ncc(C(=O)NCc3cc(F)ccc3Oc3ccc(F)c(Cl)c3)c(=O)n2c1 ZINC001462503969 1068087300 /nfs/dbraw/zinc/08/73/00/1068087300.db2.gz PNGXJJRNWIAROX-UHFFFAOYSA-N 0 0 455.848 4.657 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC001462511571 1068088380 /nfs/dbraw/zinc/08/83/80/1068088380.db2.gz GXNUUMHOBAUVEN-BHDDXSALSA-N 0 0 456.583 4.993 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2nc(Cl)sc2C)c1 ZINC001462514570 1068089653 /nfs/dbraw/zinc/08/96/53/1068089653.db2.gz FFRWLCOJPFYABG-MRXNPFEDSA-N 0 0 451.976 4.548 20 0 JJADRN CN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001462517676 1068089784 /nfs/dbraw/zinc/08/97/84/1068089784.db2.gz PMYFIHLHAAAONR-UHFFFAOYSA-N 0 0 455.640 4.756 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Oc3cc(C)c(C(C)=O)c(C)c3)n2)cc(Cl)c1OC ZINC001462529869 1068092195 /nfs/dbraw/zinc/09/21/95/1068092195.db2.gz KXXAREPNMJNYBU-UHFFFAOYSA-N 0 0 458.898 4.765 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC001462529927 1068092227 /nfs/dbraw/zinc/09/22/27/1068092227.db2.gz YZGHYEWBTSOBKO-RHSMWYFYSA-N 0 0 455.805 4.722 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001462528402 1068092244 /nfs/dbraw/zinc/09/22/44/1068092244.db2.gz IKWNYODEQYFFLL-HSZRJFAPSA-N 0 0 452.551 4.560 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)cc1Br ZINC001462528145 1068092436 /nfs/dbraw/zinc/09/24/36/1068092436.db2.gz HQYSNHNXFQQQTA-DOTOQJQBSA-N 0 0 450.258 4.940 20 0 JJADRN CC(C)[C@H](C(=O)NCc1cc2cc(Br)ccc2o1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001462535136 1068093287 /nfs/dbraw/zinc/09/32/87/1068093287.db2.gz NZUFUMRVENUBBK-ACJLOTCBSA-N 0 0 453.377 4.997 20 0 JJADRN CC(C)[C@H](C(=O)NCc1cc2cc(Br)ccc2o1)[C@H](C)NC(=O)OC(C)(C)C ZINC001462535158 1068093634 /nfs/dbraw/zinc/09/36/34/1068093634.db2.gz NZUFUMRVENUBBK-UGSOOPFHSA-N 0 0 453.377 4.997 20 0 JJADRN O=C(NCC(F)(F)c1cc(F)cc(F)c1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001462538758 1068094076 /nfs/dbraw/zinc/09/40/76/1068094076.db2.gz NMXGCWGTRWGFKH-SFHVURJKSA-N 0 0 459.281 4.772 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC001462543781 1068094964 /nfs/dbraw/zinc/09/49/64/1068094964.db2.gz RHSHKDNYTIPDTB-HXUWFJFHSA-N 0 0 452.505 4.598 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Br)C2(C)C)cc1 ZINC001462542869 1068095091 /nfs/dbraw/zinc/09/50/91/1068095091.db2.gz NVSFFERLOBNGPO-GOSISDBHSA-N 0 0 450.398 4.569 20 0 JJADRN COc1ccc(C2=NO[C@H](CNCc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1C ZINC001462550134 1068096524 /nfs/dbraw/zinc/09/65/24/1068096524.db2.gz UXVPXEFDGLWBNA-SFHVURJKSA-N 0 0 455.990 4.748 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCn2cccn2)CCC1 ZINC001546132397 1068096971 /nfs/dbraw/zinc/09/69/71/1068096971.db2.gz HMVDVQNEDPJMER-UHFFFAOYSA-N 0 0 461.383 4.760 20 0 JJADRN CCOC(=O)[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C(F)(F)F ZINC001462559430 1068098110 /nfs/dbraw/zinc/09/81/10/1068098110.db2.gz YSCFNVFTKWLHTA-GHMZBOCLSA-N 0 0 464.200 4.521 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC001462568663 1068099932 /nfs/dbraw/zinc/09/99/32/1068099932.db2.gz ILKCFJPNWHANKD-GOSISDBHSA-N 0 0 452.576 4.680 20 0 JJADRN CCOc1cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579517 1068103169 /nfs/dbraw/zinc/10/31/69/1068103169.db2.gz VUZGPONEJIERBY-KGLIPLIRSA-N 0 0 452.901 4.579 20 0 JJADRN CC1(C)CCc2onc(CNC(=O)c3cc(COc4c(Cl)cccc4Cl)on3)c2C1 ZINC001462578766 1068103241 /nfs/dbraw/zinc/10/32/41/1068103241.db2.gz IXPCAUGBBWUYOB-UHFFFAOYSA-N 0 0 450.322 4.993 20 0 JJADRN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN[C@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584334 1068104459 /nfs/dbraw/zinc/10/44/59/1068104459.db2.gz JUIQBJZTYSQFKV-DNVCBOLYSA-N 0 0 456.965 4.661 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CCOCC1 ZINC001546132623 1068104497 /nfs/dbraw/zinc/10/44/97/1068104497.db2.gz OJYJWZNYRLALGL-UHFFFAOYSA-N 0 0 464.557 4.793 20 0 JJADRN Fc1cc(CN2CCn3c(Cc4ccccc4Cl)nnc3C2)ccc1OCC(F)(F)F ZINC001462584934 1068104538 /nfs/dbraw/zinc/10/45/38/1068104538.db2.gz HONPVNSAGXGKHJ-UHFFFAOYSA-N 0 0 454.855 4.618 20 0 JJADRN CCn1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588531 1068105277 /nfs/dbraw/zinc/10/52/77/1068105277.db2.gz JGGDSBCLDIFLCX-MOPGFXCFSA-N 0 0 452.521 4.848 20 0 JJADRN CN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@H](c1ccccc1)c1ccccc1Br ZINC001462588712 1068105683 /nfs/dbraw/zinc/10/56/83/1068105683.db2.gz NRKGSFFVXKICHO-LJQANCHMSA-N 0 0 452.274 4.912 20 0 JJADRN CCn1cc(CN2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588574 1068105800 /nfs/dbraw/zinc/10/58/00/1068105800.db2.gz JGGDSBCLDIFLCX-RTBURBONSA-N 0 0 452.521 4.848 20 0 JJADRN Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592318 1068106978 /nfs/dbraw/zinc/10/69/78/1068106978.db2.gz OGFHDJGTGPPRKJ-QZTJIDSGSA-N 0 0 456.484 4.504 20 0 JJADRN CC1(C)CCc2cc(Br)ccc2N1C(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001462591787 1068107167 /nfs/dbraw/zinc/10/71/67/1068107167.db2.gz ZSDJRRUXSSJJJK-UHFFFAOYSA-N 0 0 453.262 4.882 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462595267 1068107661 /nfs/dbraw/zinc/10/76/61/1068107661.db2.gz BAMUIROCVXJBMX-IBGZPJMESA-N 0 0 451.917 4.947 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCC1 ZINC001546132700 1068108814 /nfs/dbraw/zinc/10/88/14/1068108814.db2.gz QORIQVGJGIGMOW-UHFFFAOYSA-N 0 0 477.028 4.948 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1Br ZINC001462598008 1068108843 /nfs/dbraw/zinc/10/88/43/1068108843.db2.gz OMGGEBUODWHCJD-UHFFFAOYSA-N 0 0 458.377 4.661 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(-c2cccs2)s1 ZINC001462601060 1068109597 /nfs/dbraw/zinc/10/95/97/1068109597.db2.gz YYPNQPZZTBSUDD-AWEZNQCLSA-N 0 0 455.479 4.889 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CN1CCc2cc(Cl)cc(Br)c2C1 ZINC001462602798 1068110141 /nfs/dbraw/zinc/11/01/41/1068110141.db2.gz JBMCKVXOACWPBI-UHFFFAOYSA-N 0 0 455.784 4.741 20 0 JJADRN COC(=O)c1cc2cccnc2c(NCc2ncc(Br)cc2Br)c1 ZINC001462606372 1068110974 /nfs/dbraw/zinc/11/09/74/1068110974.db2.gz YCZFZSOOFFKTSZ-UHFFFAOYSA-N 0 0 451.118 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCc2ncc(Cl)s2)CC1 ZINC001462611638 1068111459 /nfs/dbraw/zinc/11/14/59/1068111459.db2.gz RVGIUNWTXXYYIY-UHFFFAOYSA-N 0 0 450.004 4.916 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cnc4ccccc4c3Br)cnc21 ZINC001462610568 1068111533 /nfs/dbraw/zinc/11/15/33/1068111533.db2.gz ZMUBNMWOSQTLQL-UHFFFAOYSA-N 0 0 450.218 4.550 20 0 JJADRN C[C@H]1CN(Cc2cccc(F)c2Br)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001462612361 1068112237 /nfs/dbraw/zinc/11/22/37/1068112237.db2.gz NJWKWTPXKDSYSZ-HNNXBMFYSA-N 0 0 457.384 4.579 20 0 JJADRN Cc1c(C(=O)N(C)C2(Cc3ccccc3)CCCC2)nnn1-c1cccc(Br)c1 ZINC001462617393 1068112768 /nfs/dbraw/zinc/11/27/68/1068112768.db2.gz KBJRROPZVMAFQJ-UHFFFAOYSA-N 0 0 453.384 4.966 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)Cc2cnccn2)CCC1 ZINC001546132856 1068113842 /nfs/dbraw/zinc/11/38/42/1068113842.db2.gz XUITWOHVDVTCDA-UHFFFAOYSA-N 0 0 471.403 4.723 20 0 JJADRN CCc1ccc(Br)c(NC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)c1 ZINC001462618568 1068113849 /nfs/dbraw/zinc/11/38/49/1068113849.db2.gz NJEBXAYZYJYTLH-UHFFFAOYSA-N 0 0 451.365 4.929 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CC(C)(C)CO2)ccc1OCc1ccc(Br)s1 ZINC001462621702 1068114054 /nfs/dbraw/zinc/11/40/54/1068114054.db2.gz HKUCTWDPZYJLEN-CQSZACIVSA-N 0 0 454.386 4.643 20 0 JJADRN CC(C)COc1cc(N[C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1Br ZINC001462621256 1068114081 /nfs/dbraw/zinc/11/40/81/1068114081.db2.gz DBEPHWIRHGCBSE-BEFAXECRSA-N 0 0 457.409 4.920 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CCOCC1 ZINC001546132868 1068114135 /nfs/dbraw/zinc/11/41/35/1068114135.db2.gz YHANJNNQAOBVKY-XIFFEERXSA-N 0 0 488.057 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)C(F)(F)c3cccc(Br)c3)CCC[C@@H]12 ZINC001462621396 1068114168 /nfs/dbraw/zinc/11/41/68/1068114168.db2.gz XIERNQALRBCJNK-DNVCBOLYSA-N 0 0 459.331 4.589 20 0 JJADRN O=C([C@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462626778 1068116228 /nfs/dbraw/zinc/11/62/28/1068116228.db2.gz DOWUSVLEELQUKI-LBPRGKRZSA-N 0 0 458.814 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1 ZINC001462626577 1068116291 /nfs/dbraw/zinc/11/62/91/1068116291.db2.gz JFCBKHMRCFUZSC-FQEVSTJZSA-N 0 0 455.599 4.606 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462627492 1068117030 /nfs/dbraw/zinc/11/70/30/1068117030.db2.gz GZYINQGUTWXIAD-GFCCVEGCSA-N 0 0 458.814 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)Cc2ccccc2OC(F)F)CC1 ZINC001462629682 1068117494 /nfs/dbraw/zinc/11/74/94/1068117494.db2.gz WOMPGMDRLAMPOS-LJQANCHMSA-N 0 0 452.542 4.907 20 0 JJADRN Cn1nc(C(F)(F)F)c(CNc2ccc(I)c(Cl)c2)c1Cl ZINC001462630842 1068117531 /nfs/dbraw/zinc/11/75/31/1068117531.db2.gz SUCRAPMCGVJGCJ-UHFFFAOYSA-N 0 0 450.029 4.962 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCC2(c3ccc(Br)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001462635015 1068119454 /nfs/dbraw/zinc/11/94/54/1068119454.db2.gz RLWDZMXKMVKFSA-QZTJIDSGSA-N 0 0 451.405 4.633 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@H](C)O1 ZINC001462634284 1068119623 /nfs/dbraw/zinc/11/96/23/1068119623.db2.gz LPLFGMHKPGFYPN-ROUUACIJSA-N 0 0 457.412 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1)C1CCCC1 ZINC001462635798 1068120214 /nfs/dbraw/zinc/12/02/14/1068120214.db2.gz QVNHPCPWIUOYBO-XMSQKQJNSA-N 0 0 456.631 4.982 20 0 JJADRN O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCc1cccc(Br)c1 ZINC001462636425 1068120218 /nfs/dbraw/zinc/12/02/18/1068120218.db2.gz ZKINNZMPWFYOLP-UHFFFAOYSA-N 0 0 453.292 4.805 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001462636498 1068120238 /nfs/dbraw/zinc/12/02/38/1068120238.db2.gz VJVNISYXIFOVGD-GCJKJVERSA-N 0 0 458.599 4.799 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462643428 1068122367 /nfs/dbraw/zinc/12/23/67/1068122367.db2.gz HYTZPUNHPYVPSP-OFNKIYASSA-N 0 0 452.457 4.569 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)c1cnc(-c2c(F)cccc2F)s1 ZINC001462647475 1068123035 /nfs/dbraw/zinc/12/30/35/1068123035.db2.gz XBZDPVWQMRGRAB-UHFFFAOYSA-N 0 0 450.514 4.920 20 0 JJADRN CCOC(=O)COc1ccc(NC(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)cc1 ZINC001546132915 1068123734 /nfs/dbraw/zinc/12/37/34/1068123734.db2.gz ABHJASRZCQJIGG-UHFFFAOYSA-N 0 0 450.491 4.642 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)NC2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001462650274 1068123831 /nfs/dbraw/zinc/12/38/31/1068123831.db2.gz VRCHIMQPEGRLIG-INIZCTEOSA-N 0 0 458.521 4.712 20 0 JJADRN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c(F)ccc(I)c1Cl ZINC001462654512 1068125162 /nfs/dbraw/zinc/12/51/62/1068125162.db2.gz NRDNBHRRAHMGFJ-QMTHXVAHSA-N 0 0 465.640 4.862 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462653135 1068125189 /nfs/dbraw/zinc/12/51/89/1068125189.db2.gz GOTDPMHOCUQZOR-FGZHOGPDSA-N 0 0 451.485 4.693 20 0 JJADRN Cc1cccc(C2=CCN(Cc3cnnn3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657162 1068125800 /nfs/dbraw/zinc/12/58/00/1068125800.db2.gz HOBRBQIGNRMIMC-QFIPXVFZSA-N 0 0 451.615 4.756 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)c1cccc(C(F)(F)F)c1 ZINC001462657739 1068125840 /nfs/dbraw/zinc/12/58/40/1068125840.db2.gz KKUCIHSDPMTGGQ-FQEVSTJZSA-N 0 0 453.457 4.783 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nnc1-c1ccccc1 ZINC001462655425 1068125894 /nfs/dbraw/zinc/12/58/94/1068125894.db2.gz LQVMBKOVWJLJIY-XIRDDKMYSA-N 0 0 456.534 4.624 20 0 JJADRN CCSc1ccccc1CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001462661677 1068126522 /nfs/dbraw/zinc/12/65/22/1068126522.db2.gz IFNVYUCXPRMSCX-NRFANRHFSA-N 0 0 456.677 4.970 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCCc2cnc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001462666093 1068127167 /nfs/dbraw/zinc/12/71/67/1068127167.db2.gz XZFWOPNNKDWSBD-NFBKMPQASA-N 0 0 455.480 4.522 20 0 JJADRN COc1ccc(CNC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001462674484 1068128610 /nfs/dbraw/zinc/12/86/10/1068128610.db2.gz IGZASCITSAFZJN-UHFFFAOYSA-N 0 0 450.885 4.544 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462681806 1068130489 /nfs/dbraw/zinc/13/04/89/1068130489.db2.gz YNKWAHXMFHWTLC-WRNCNXPOSA-N 0 0 455.517 4.670 20 0 JJADRN COc1cc(Br)cc(CNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 ZINC001462684991 1068131229 /nfs/dbraw/zinc/13/12/29/1068131229.db2.gz GRIJTFJRUMTIAQ-UHFFFAOYSA-N 0 0 459.340 4.500 20 0 JJADRN COc1cc(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)ccc1F ZINC001462684498 1068131244 /nfs/dbraw/zinc/13/12/44/1068131244.db2.gz FMIFWGJVPNJGED-UHFFFAOYSA-N 0 0 456.558 4.999 20 0 JJADRN COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462688042 1068132014 /nfs/dbraw/zinc/13/20/14/1068132014.db2.gz XUINWBTYRQVRPM-UHFFFAOYSA-N 0 0 459.317 4.609 20 0 JJADRN CN(C)[C@H](CCNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)C(F)(F)F ZINC001462691530 1068132829 /nfs/dbraw/zinc/13/28/29/1068132829.db2.gz XXWOLHPGLADOPF-QGZVFWFLSA-N 0 0 450.436 4.519 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N(Cc3ccccc3)[C@H](C)C3CC3)cc2c1C ZINC001462691987 1068132859 /nfs/dbraw/zinc/13/28/59/1068132859.db2.gz BRLBETNGJIIWPP-MRXNPFEDSA-N 0 0 458.605 4.771 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001462700285 1068134991 /nfs/dbraw/zinc/13/49/91/1068134991.db2.gz VLYCIXLGWCQGOC-OAHLLOKOSA-N 0 0 453.174 4.745 20 0 JJADRN CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC001462701875 1068135770 /nfs/dbraw/zinc/13/57/70/1068135770.db2.gz OBXCEEFZIYBLLW-OAHLLOKOSA-N 0 0 453.402 4.705 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc3cc(Br)ccc3c2)c(Cl)c1 ZINC001462702698 1068135791 /nfs/dbraw/zinc/13/57/91/1068135791.db2.gz XHRSIVRRLBXXMB-UHFFFAOYSA-N 0 0 455.713 4.810 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001462704761 1068137113 /nfs/dbraw/zinc/13/71/13/1068137113.db2.gz DFEJUHPVHIUGLW-BVSLBCMMSA-N 0 0 456.380 4.813 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001462706569 1068137641 /nfs/dbraw/zinc/13/76/41/1068137641.db2.gz JPWSTZISFZNJQL-UHFFFAOYSA-N 0 0 452.201 4.643 20 0 JJADRN CN(Cc1ccccc1Cl)S(=O)(=O)c1scc(Br)c1Br ZINC001462705639 1068137671 /nfs/dbraw/zinc/13/76/71/1068137671.db2.gz FRVSCYAWKDPHON-UHFFFAOYSA-N 0 0 459.612 4.747 20 0 JJADRN Cc1cc(Cl)cc(C)c1OS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001462706947 1068137765 /nfs/dbraw/zinc/13/77/65/1068137765.db2.gz JGCFPIXHSVDWHT-QUCCMNQESA-N 0 0 451.972 4.761 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cc2c1C ZINC001462708102 1068138174 /nfs/dbraw/zinc/13/81/74/1068138174.db2.gz NWSQRCSKQKJCFJ-CYBMUJFWSA-N 0 0 455.454 4.976 20 0 JJADRN C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC001462707957 1068138213 /nfs/dbraw/zinc/13/82/13/1068138213.db2.gz IGOVHZAKPYMDAT-SNVBAGLBSA-N 0 0 452.782 4.765 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC001462707570 1068138299 /nfs/dbraw/zinc/13/82/99/1068138299.db2.gz PLSWSPWRUDYUDI-UHFFFAOYSA-N 0 0 459.409 4.906 20 0 JJADRN O=C(N1CC[C@H](c2c(F)cccc2F)C1)C1(c2ccc(I)cc2)CC1 ZINC001462711618 1068139400 /nfs/dbraw/zinc/13/94/00/1068139400.db2.gz FMIUTCZEOHLCAM-ZDUSSCGKSA-N 0 0 453.270 4.617 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001462712366 1068139482 /nfs/dbraw/zinc/13/94/82/1068139482.db2.gz HXQXBHATBVOMDB-DLBZAZTESA-N 0 0 452.339 4.939 20 0 JJADRN O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc(Br)cnc1Br ZINC001462714576 1068140125 /nfs/dbraw/zinc/14/01/25/1068140125.db2.gz PAYJTTNKDMCGAB-UHFFFAOYSA-N 0 0 452.961 4.886 20 0 JJADRN CC(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)cc1Cl ZINC001462719754 1068141773 /nfs/dbraw/zinc/14/17/73/1068141773.db2.gz IICAHGWDEPERMV-SFHVURJKSA-N 0 0 451.007 4.999 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001462722337 1068142452 /nfs/dbraw/zinc/14/24/52/1068142452.db2.gz NHBQTYLDYXNIPE-XJKSGUPXSA-N 0 0 457.379 4.656 20 0 JJADRN C[C@@H](NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1cccc2ccccc21 ZINC001462721258 1068142467 /nfs/dbraw/zinc/14/24/67/1068142467.db2.gz SLCLYAOPGAZQDW-LJQANCHMSA-N 0 0 452.576 4.621 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cn1 ZINC001462724350 1068143342 /nfs/dbraw/zinc/14/33/42/1068143342.db2.gz RVUIEWJGQOPFFG-XMSQKQJNSA-N 0 0 453.583 4.592 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 ZINC001462724678 1068143438 /nfs/dbraw/zinc/14/34/38/1068143438.db2.gz ULFOXHSSKWGBPL-UHFFFAOYSA-N 0 0 455.917 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)CC2(CCOCC2)C1 ZINC001462726563 1068144696 /nfs/dbraw/zinc/14/46/96/1068144696.db2.gz YEQKFFKOZOGRMQ-GOSISDBHSA-N 0 0 456.539 4.608 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)NCc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001462728118 1068145217 /nfs/dbraw/zinc/14/52/17/1068145217.db2.gz ATRWXALJQKHQHW-UHFFFAOYSA-N 0 0 451.283 4.532 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC001462727815 1068145236 /nfs/dbraw/zinc/14/52/36/1068145236.db2.gz ZMWOPQMULHQLIC-SANMLTNESA-N 0 0 451.588 4.993 20 0 JJADRN CCOC(=O)c1ccccc1OS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001462729507 1068145940 /nfs/dbraw/zinc/14/59/40/1068145940.db2.gz IAMMJYUCISZHFX-UHFFFAOYSA-N 0 0 454.125 4.700 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC001462730694 1068146385 /nfs/dbraw/zinc/14/63/85/1068146385.db2.gz IPGCMHMFBSVUNX-UHFFFAOYSA-N 0 0 450.148 4.686 20 0 JJADRN COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)[nH]1 ZINC001462729649 1068146443 /nfs/dbraw/zinc/14/64/43/1068146443.db2.gz BGCMHVZBJHMDQB-UHFFFAOYSA-N 0 0 452.410 4.883 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1F ZINC001462730429 1068146491 /nfs/dbraw/zinc/14/64/91/1068146491.db2.gz BSUMFNZRSRJCQQ-UHFFFAOYSA-N 0 0 451.523 4.508 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)CSCc1ccc(Br)cc1 ZINC001462734504 1068147545 /nfs/dbraw/zinc/14/75/45/1068147545.db2.gz QMWYILDGRPZQHS-NVXWUHKLSA-N 0 0 471.461 4.692 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001462739682 1068150135 /nfs/dbraw/zinc/15/01/35/1068150135.db2.gz SFRYNWWIUJYUKT-ZDUSSCGKSA-N 0 0 455.907 4.670 20 0 JJADRN CC[C@H](C)c1ccc([C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C(C)C)cc1 ZINC001462739288 1068150149 /nfs/dbraw/zinc/15/01/49/1068150149.db2.gz JGXOQACJLVKHMT-NYHFZMIOSA-N 0 0 451.560 4.810 20 0 JJADRN COc1ccc(C[C@@H](NS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)c2ccc(OC)cc2)cc1 ZINC001462740362 1068150573 /nfs/dbraw/zinc/15/05/73/1068150573.db2.gz BMBUGHGORSWZRP-XMSQKQJNSA-N 0 0 453.551 4.733 20 0 JJADRN O=S(=O)(Oc1ccc(Cl)c2cccnc12)C1=Cc2cc(Br)ccc2OC1 ZINC001462742219 1068151285 /nfs/dbraw/zinc/15/12/85/1068151285.db2.gz PZWQBLPFWJJVRD-UHFFFAOYSA-N 0 0 452.713 4.793 20 0 JJADRN CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(I)cc2)cc1 ZINC001462742187 1068151352 /nfs/dbraw/zinc/15/13/52/1068151352.db2.gz LZIGQBJEKAOXCB-UHFFFAOYSA-N 0 0 455.361 4.768 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC001462743353 1068151769 /nfs/dbraw/zinc/15/17/69/1068151769.db2.gz GJVFPPRPDOHBMZ-HXUWFJFHSA-N 0 0 456.402 4.922 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC001462743694 1068152539 /nfs/dbraw/zinc/15/25/39/1068152539.db2.gz JQQRKXQDACUWAD-QHCPKHFHSA-N 0 0 458.624 4.873 20 0 JJADRN CCCCc1ccc([C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C(C)C)cc1 ZINC001462743644 1068152555 /nfs/dbraw/zinc/15/25/55/1068152555.db2.gz ASXQEDKMVLSHFV-RPBOFIJWSA-N 0 0 456.652 4.951 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c2cccc(F)c2)cc1 ZINC001462744818 1068153015 /nfs/dbraw/zinc/15/30/15/1068153015.db2.gz OXIVOCCMBBVBSF-HSZRJFAPSA-N 0 0 452.551 4.686 20 0 JJADRN O=S(=O)(NCCCOC1CCCCC1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462744808 1068153102 /nfs/dbraw/zinc/15/31/02/1068153102.db2.gz QGHREDIJTQBQKJ-UHFFFAOYSA-N 0 0 459.431 4.590 20 0 JJADRN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)CC1(C)CCOCC1 ZINC001462749307 1068154206 /nfs/dbraw/zinc/15/42/06/1068154206.db2.gz XUPMXMAIDJCNHB-UHFFFAOYSA-N 0 0 453.560 4.926 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(C)C)c1 ZINC001462750446 1068155229 /nfs/dbraw/zinc/15/52/29/1068155229.db2.gz AJPNRBBIIOCJMI-RUZDIDTESA-N 0 0 450.604 4.899 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C(C)C)cc1OCC ZINC001462752962 1068155725 /nfs/dbraw/zinc/15/57/25/1068155725.db2.gz LAUCAIBQQLEMDK-HXUWFJFHSA-N 0 0 451.976 4.689 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1coc(-c2ccccc2Cl)n1 ZINC001462751631 1068155764 /nfs/dbraw/zinc/15/57/64/1068155764.db2.gz CCBZCMAFKBXGIK-UHFFFAOYSA-N 0 0 457.715 4.873 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001462754374 1068156523 /nfs/dbraw/zinc/15/65/23/1068156523.db2.gz HATGIGGTNNGVKL-MJGOQNOKSA-N 0 0 459.633 4.914 20 0 JJADRN CCN(C(=O)CCSc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462759185 1068157615 /nfs/dbraw/zinc/15/76/15/1068157615.db2.gz PIOKFPAKRUBPBZ-INIZCTEOSA-N 0 0 457.434 4.789 20 0 JJADRN CCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(C4CCCCC4)cc3)CC2)cc1 ZINC001462759246 1068157631 /nfs/dbraw/zinc/15/76/31/1068157631.db2.gz JQGOJMVQMPJCNI-UHFFFAOYSA-N 0 0 456.652 4.781 20 0 JJADRN CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462757164 1068157679 /nfs/dbraw/zinc/15/76/79/1068157679.db2.gz LNCXJHFTYGRTTR-NRFANRHFSA-N 0 0 451.567 4.719 20 0 JJADRN COc1ccc(C(=O)N(c2ccccc2)[C@H](C)C(C)C)cc1S(=O)(=O)Cc1cc(C)no1 ZINC001462760922 1068158242 /nfs/dbraw/zinc/15/82/42/1068158242.db2.gz BOAJEWNWHLJPMR-GOSISDBHSA-N 0 0 456.564 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)Cc2ccccc2OC2CCCC2)C1 ZINC001462759809 1068158262 /nfs/dbraw/zinc/15/82/62/1068158262.db2.gz ATZLDEZLWHHFQB-SFHVURJKSA-N 0 0 452.542 4.559 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC001462761410 1068158315 /nfs/dbraw/zinc/15/83/15/1068158315.db2.gz DPAHDDDJPMORSO-UHFFFAOYSA-N 0 0 459.467 4.538 20 0 JJADRN COc1ccc(CCCCCC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001462766415 1068160178 /nfs/dbraw/zinc/16/01/78/1068160178.db2.gz ITMAUGVIDKFHKS-LJQANCHMSA-N 0 0 454.558 4.807 20 0 JJADRN CN(C)c1ccc(-c2ccncc2NC(=O)/C=C\c2ccc(I)o2)cc1 ZINC001462766017 1068160251 /nfs/dbraw/zinc/16/02/51/1068160251.db2.gz ZJOREEHVRLUATO-NTMALXAHSA-N 0 0 459.287 4.664 20 0 JJADRN CCCCOC(=O)c1ccc(OS(=O)(=O)c2c[nH]c3cc(Br)ccc32)cc1 ZINC001462766515 1068160268 /nfs/dbraw/zinc/16/02/68/1068160268.db2.gz QCNSVCZOQWBNPV-UHFFFAOYSA-N 0 0 452.326 4.655 20 0 JJADRN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)cc21 ZINC001462767375 1068160769 /nfs/dbraw/zinc/16/07/69/1068160769.db2.gz STMIQXKHINPEKJ-XMMPIXPASA-N 0 0 454.979 4.707 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462769356 1068161185 /nfs/dbraw/zinc/16/11/85/1068161185.db2.gz JSEWUQOXKFMAMX-YLJYHZDGSA-N 0 0 470.614 4.948 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001462769097 1068161245 /nfs/dbraw/zinc/16/12/45/1068161245.db2.gz GGKDFSQRJKIWCU-NVXWUHKLSA-N 0 0 480.531 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)C1 ZINC001462769136 1068161276 /nfs/dbraw/zinc/16/12/76/1068161276.db2.gz UVKCNLATDDSFFM-ICSRJNTNSA-N 0 0 452.542 4.695 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)c1Cl ZINC001462768773 1068161300 /nfs/dbraw/zinc/16/13/00/1068161300.db2.gz QHSVETRSAOHEBN-UHFFFAOYSA-N 0 0 454.885 4.756 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)oc1-c1ccccc1 ZINC001462770345 1068162465 /nfs/dbraw/zinc/16/24/65/1068162465.db2.gz ORZUBFZDSAYLFK-NHCUHLMSSA-N 0 0 457.496 4.762 20 0 JJADRN O=C(CCCc1ccc(Br)cc1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770574 1068162535 /nfs/dbraw/zinc/16/25/35/1068162535.db2.gz TWBMORUDWKAAEP-WOJBJXKFSA-N 0 0 469.345 4.951 20 0 JJADRN O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1cc2nc(Cl)ccc2s1 ZINC001462774952 1068164231 /nfs/dbraw/zinc/16/42/31/1068164231.db2.gz GFCLWMSXQXZWMM-UHFFFAOYSA-N 0 0 450.891 4.507 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccc(F)cc2F)cc1 ZINC001462775793 1068164242 /nfs/dbraw/zinc/16/42/42/1068164242.db2.gz IJTJMDBRERFXGM-UHFFFAOYSA-N 0 0 458.530 4.845 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001462775971 1068164863 /nfs/dbraw/zinc/16/48/63/1068164863.db2.gz IVIFMQIJGLAKPQ-UHFFFAOYSA-N 0 0 459.440 4.785 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001546133841 1068165949 /nfs/dbraw/zinc/16/59/49/1068165949.db2.gz BLWHOLLKDFZGOD-UHFFFAOYSA-N 0 0 499.656 4.894 20 0 JJADRN COC(=O)c1ccc2ccccc2c1OS(=O)(=O)c1cc(Br)c(F)cc1C ZINC001462779870 1068166463 /nfs/dbraw/zinc/16/64/63/1068166463.db2.gz ZSFBYXBELOQYCZ-UHFFFAOYSA-N 0 0 453.285 4.604 20 0 JJADRN CSC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CCCCC1 ZINC001462788848 1068167807 /nfs/dbraw/zinc/16/78/07/1068167807.db2.gz CNPBTHTZKXQOAT-INIZCTEOSA-N 0 0 459.077 4.556 20 0 JJADRN Cn1cc([C@@H]2[C@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001462791216 1068168543 /nfs/dbraw/zinc/16/85/43/1068168543.db2.gz AMXCDSWWFKLNCR-AUSIDOKSSA-N 0 0 450.514 4.678 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC001462792950 1068168940 /nfs/dbraw/zinc/16/89/40/1068168940.db2.gz HIUQUSBWBFZCDW-UHFFFAOYSA-N 0 0 457.548 4.716 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)CCCc1ccccc1Br)c1ccc(F)cc1F ZINC001462792828 1068169035 /nfs/dbraw/zinc/16/90/35/1068169035.db2.gz RWFNQEUWWMLUQQ-LJQANCHMSA-N 0 0 454.311 4.861 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1cc(Br)ncc1Cl)CC2 ZINC001462806761 1068172234 /nfs/dbraw/zinc/17/22/34/1068172234.db2.gz LCPJKHBSWAPQJR-UHFFFAOYSA-N 0 0 451.748 4.592 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1C(C)(C)C ZINC001462805026 1068172274 /nfs/dbraw/zinc/17/22/74/1068172274.db2.gz IYLKNBYEHWHHHX-UHFFFAOYSA-N 0 0 458.624 4.990 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N(CCOC)CC2CC2)CCOCC1 ZINC001546134186 1068172326 /nfs/dbraw/zinc/17/23/26/1068172326.db2.gz OKIHKKQGDQJWAG-UHFFFAOYSA-N 0 0 477.447 4.777 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@H]1CC2(CCC2)CO1)c1cccc(Cl)c1Cl ZINC001462810859 1068173340 /nfs/dbraw/zinc/17/33/40/1068173340.db2.gz AUWCPWKSXUFGGY-RDTXWAMCSA-N 0 0 457.398 4.977 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2cccn2-c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC001462812848 1068174028 /nfs/dbraw/zinc/17/40/28/1068174028.db2.gz DMPIILINXILZSY-FXAWDEMLSA-N 0 0 464.299 4.764 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cn1 ZINC001462812811 1068174051 /nfs/dbraw/zinc/17/40/51/1068174051.db2.gz IYDJNYFDUWXCFM-UHFFFAOYSA-N 0 0 457.939 4.770 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c1 ZINC001462814504 1068174450 /nfs/dbraw/zinc/17/44/50/1068174450.db2.gz SUOMUATUORKMKG-RDJZCZTQSA-N 0 0 456.951 4.927 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c1 ZINC001462814494 1068174569 /nfs/dbraw/zinc/17/45/69/1068174569.db2.gz SUOMUATUORKMKG-DOTOQJQBSA-N 0 0 456.951 4.927 20 0 JJADRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC001462814844 1068175051 /nfs/dbraw/zinc/17/50/51/1068175051.db2.gz GZLWOTXUPDDIAC-LJQANCHMSA-N 0 0 453.608 4.546 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)CCCc2cc(F)ccc2F)CC[C@@H]1C(F)(F)F ZINC001462821453 1068176843 /nfs/dbraw/zinc/17/68/43/1068176843.db2.gz DWDDKTRDTOIFCF-RDJZCZTQSA-N 0 0 450.448 4.592 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccnc(Cl)c3c2)cc1Br ZINC001462824067 1068177479 /nfs/dbraw/zinc/17/74/79/1068177479.db2.gz DHHLERDZGTZNNI-NSHDSACASA-N 0 0 455.761 4.699 20 0 JJADRN CCN(CC)[C@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825616 1068178435 /nfs/dbraw/zinc/17/84/35/1068178435.db2.gz HYYCJGMZOAKNET-QGZVFWFLSA-N 0 0 456.058 4.886 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCc1ccnc(OC2CCCC2)c1 ZINC001462827312 1068179528 /nfs/dbraw/zinc/17/95/28/1068179528.db2.gz SEXNXOPTRCZNAB-UHFFFAOYSA-N 0 0 459.793 4.606 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2csc(-c3ccc(Cl)s3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC001462827001 1068179666 /nfs/dbraw/zinc/17/96/66/1068179666.db2.gz WFQMJIXXOBHBEA-YVEFUNNKSA-N 0 0 453.923 4.505 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N1CCc2ccc(Br)c(F)c2C1 ZINC001462827963 1068180154 /nfs/dbraw/zinc/18/01/54/1068180154.db2.gz GHKBQSCMQJNYMF-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462828571 1068180246 /nfs/dbraw/zinc/18/02/46/1068180246.db2.gz WDJDWKHJYROAMP-SJORKVTESA-N 0 0 458.521 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001462827757 1068180251 /nfs/dbraw/zinc/18/02/51/1068180251.db2.gz STCFZMFOXYZYPV-RBUKOAKNSA-N 0 0 456.505 4.926 20 0 JJADRN C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001462829265 1068180806 /nfs/dbraw/zinc/18/08/06/1068180806.db2.gz HBGYASXPXJPXSF-DEOSSOPVSA-N 0 0 455.396 4.742 20 0 JJADRN O=S(=O)(NCc1cccc(COCc2ccccc2)c1)c1cc(F)ccc1OC(F)F ZINC001462830108 1068181394 /nfs/dbraw/zinc/18/13/94/1068181394.db2.gz JKYNQFJQEFDICH-UHFFFAOYSA-N 0 0 451.466 4.622 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001462830264 1068181480 /nfs/dbraw/zinc/18/14/80/1068181480.db2.gz LZDNIBSDGIFFEN-CRAIPNDOSA-N 0 0 451.405 4.633 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(I)cc1 ZINC001462833559 1068183754 /nfs/dbraw/zinc/18/37/54/1068183754.db2.gz UYQLSXREXXCQMC-IBGZPJMESA-N 0 0 455.361 4.891 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cn2)c1 ZINC001462834966 1068183838 /nfs/dbraw/zinc/18/38/38/1068183838.db2.gz WAAZAQNPKCCMPY-INIZCTEOSA-N 0 0 458.967 4.946 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CC[C@H](OC)C2)CCCC1 ZINC001546134467 1068185155 /nfs/dbraw/zinc/18/51/55/1068185155.db2.gz XXJMQMIGUQCONE-KRWDZBQOSA-N 0 0 463.420 4.912 20 0 JJADRN CC(C)Cc1coc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)n1 ZINC001462837376 1068185160 /nfs/dbraw/zinc/18/51/60/1068185160.db2.gz SWWDBWQIYAXVAZ-INIZCTEOSA-N 0 0 452.349 4.840 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001462840726 1068186305 /nfs/dbraw/zinc/18/63/05/1068186305.db2.gz QCXIYDBJVMYBPX-GOEBONIOSA-N 0 0 452.498 4.846 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)COc1ccc(C2SCCCS2)cc1 ZINC001462844697 1068187392 /nfs/dbraw/zinc/18/73/92/1068187392.db2.gz WJWRFEKLXRGOOG-SJLPKXTDSA-N 0 0 466.669 4.553 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nn(C(C)C)cc3Cl)C2)c2ccccc12 ZINC001462845995 1068188031 /nfs/dbraw/zinc/18/80/31/1068188031.db2.gz RCDCPQGRMMOTAQ-INIZCTEOSA-N 0 0 454.958 4.770 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](NC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001462845541 1068188063 /nfs/dbraw/zinc/18/80/63/1068188063.db2.gz MKEQIBPNDPNODE-SJORKVTESA-N 0 0 469.379 4.988 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)c1cnn2cccnc12 ZINC001462847212 1068188752 /nfs/dbraw/zinc/18/87/52/1068188752.db2.gz SDQLGSPSSKBONV-UHFFFAOYSA-N 0 0 455.287 4.695 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCCNC(=O)OCc1ccccc1 ZINC001462847891 1068189192 /nfs/dbraw/zinc/18/91/92/1068189192.db2.gz CKOOWOFPTHXBAP-UHFFFAOYSA-N 0 0 452.532 4.847 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)c1c2c(nn1C)CCC2 ZINC001462848183 1068189230 /nfs/dbraw/zinc/18/92/30/1068189230.db2.gz ZPJNLHGMWHOEOE-UHFFFAOYSA-N 0 0 458.331 4.875 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC001462849772 1068189988 /nfs/dbraw/zinc/18/99/88/1068189988.db2.gz IPPBXTPHMZGVAP-KRWDZBQOSA-N 0 0 457.596 4.608 20 0 JJADRN O=C(N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cncc(OCC(F)F)c1 ZINC001462849191 1068190058 /nfs/dbraw/zinc/19/00/58/1068190058.db2.gz FENOFGKSZNVBHA-MRXNPFEDSA-N 0 0 453.283 4.664 20 0 JJADRN Cc1cn(CC(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)nc1C(F)(F)F ZINC001462851721 1068190527 /nfs/dbraw/zinc/19/05/27/1068190527.db2.gz SUWUNWMLDFIWSL-CQSZACIVSA-N 0 0 458.278 4.536 20 0 JJADRN Cc1cc(C)cc(CS(=O)(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 ZINC001462852988 1068191099 /nfs/dbraw/zinc/19/10/99/1068191099.db2.gz XLANDMNKGAIEOP-LJQANCHMSA-N 0 0 454.567 4.804 20 0 JJADRN CC(C)(C)OCc1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001462853368 1068191624 /nfs/dbraw/zinc/19/16/24/1068191624.db2.gz VAYBTSICLIWPOK-UHFFFAOYSA-N 0 0 458.356 4.503 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001462855769 1068192522 /nfs/dbraw/zinc/19/25/22/1068192522.db2.gz WKTBKDAMTWPQPP-OAHLLOKOSA-N 0 0 451.361 4.946 20 0 JJADRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cs1 ZINC001462856126 1068192915 /nfs/dbraw/zinc/19/29/15/1068192915.db2.gz XNSFGEZWDGIJJX-UHFFFAOYSA-N 0 0 459.568 4.606 20 0 JJADRN Cc1nc(S(=O)(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)sc1Br ZINC001462857656 1068193248 /nfs/dbraw/zinc/19/32/48/1068193248.db2.gz KTXUSWGOJUMMRL-UHFFFAOYSA-N 0 0 459.431 4.570 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)c1 ZINC001462859008 1068193483 /nfs/dbraw/zinc/19/34/83/1068193483.db2.gz UBYIZPFJZSKMAN-LJQANCHMSA-N 0 0 458.045 4.816 20 0 JJADRN CC(C)c1ccc(OC2CCN(S(=O)(=O)c3cc(F)ccc3Br)CC2)cc1 ZINC001462860640 1068194006 /nfs/dbraw/zinc/19/40/06/1068194006.db2.gz VXOSCGCEAOQJQL-UHFFFAOYSA-N 0 0 456.377 4.944 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462861069 1068194026 /nfs/dbraw/zinc/19/40/26/1068194026.db2.gz FXFKLPKLWSQXAA-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN COC(=O)c1c(C)ccc2c1N(C(=O)C1CCC(NC(=O)CC3CCCCC3)CC1)CCC2 ZINC001462861700 1068194497 /nfs/dbraw/zinc/19/44/97/1068194497.db2.gz DMURVSJCWVCKLZ-UHFFFAOYSA-N 0 0 454.611 4.706 20 0 JJADRN COC(=O)c1sccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001462865333 1068195706 /nfs/dbraw/zinc/19/57/06/1068195706.db2.gz MCWHUIVYAMKWSU-KRWDZBQOSA-N 0 0 456.372 4.909 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)Nc1ccc2cc(Br)cnc2n1 ZINC001462866742 1068196772 /nfs/dbraw/zinc/19/67/72/1068196772.db2.gz UCFJLVGATZHLHC-UHFFFAOYSA-N 0 0 453.109 4.865 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCCOc1cccc2ccccc21 ZINC001462869524 1068197424 /nfs/dbraw/zinc/19/74/24/1068197424.db2.gz KCEOGGBNAQBYQY-UHFFFAOYSA-N 0 0 454.773 4.921 20 0 JJADRN C[S@@](=O)(=NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccc1Br ZINC001462868875 1068197452 /nfs/dbraw/zinc/19/74/52/1068197452.db2.gz FGEKKKGSRVPGHO-SANMLTNESA-N 0 0 450.276 4.964 20 0 JJADRN C[S@](=O)(=NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccc1Br ZINC001462868872 1068197460 /nfs/dbraw/zinc/19/74/60/1068197460.db2.gz FGEKKKGSRVPGHO-AREMUKBSSA-N 0 0 450.276 4.964 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC001462870308 1068197961 /nfs/dbraw/zinc/19/79/61/1068197961.db2.gz CNQXAAZDZUXDCP-JOCHJYFZSA-N 0 0 453.535 4.799 20 0 JJADRN O=S(=O)(c1cscc1Br)N1CCC[C@H]1c1cccc(Br)c1 ZINC001462875630 1068199617 /nfs/dbraw/zinc/19/96/17/1068199617.db2.gz ZIPKGVSCDJGURI-ZDUSSCGKSA-N 0 0 451.205 4.799 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)c(F)c1 ZINC001462877384 1068199625 /nfs/dbraw/zinc/19/96/25/1068199625.db2.gz NGVNVUOZJDVKGG-DEOSSOPVSA-N 0 0 452.551 4.971 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC001462877936 1068200120 /nfs/dbraw/zinc/20/01/20/1068200120.db2.gz PQUCXSQQNDNBMD-UHFFFAOYSA-N 0 0 456.395 4.551 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 ZINC001462877908 1068200131 /nfs/dbraw/zinc/20/01/31/1068200131.db2.gz QXYTYMSUICJYDC-HKBQPEDESA-N 0 0 453.545 4.674 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC001462880017 1068201168 /nfs/dbraw/zinc/20/11/68/1068201168.db2.gz VQNFAWKXKXKCKG-WJOKGBTCSA-N 0 0 451.573 4.966 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N=[S@@](C)(=O)c4ccccc4)c(=O)c23)cc1 ZINC001462883075 1068202069 /nfs/dbraw/zinc/20/20/69/1068202069.db2.gz VZXZSKGQEJNBMP-HKBQPEDESA-N 0 0 451.573 4.507 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)c1 ZINC001462886095 1068203401 /nfs/dbraw/zinc/20/34/01/1068203401.db2.gz MVLYLQCNKMAJCQ-OAQYLSRUSA-N 0 0 453.336 4.592 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCc2ccc(Br)cc2)c1 ZINC001462888143 1068203957 /nfs/dbraw/zinc/20/39/57/1068203957.db2.gz MQUAUHRDPBBWKB-CYBMUJFWSA-N 0 0 458.805 4.995 20 0 JJADRN COC(=O)c1c(F)ccc(F)c1NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001462890499 1068204511 /nfs/dbraw/zinc/20/45/11/1068204511.db2.gz FMHKJQJUCCWJTP-UHFFFAOYSA-N 0 0 452.339 4.556 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC001462891633 1068204901 /nfs/dbraw/zinc/20/49/01/1068204901.db2.gz ZMYRXRDPLULAFV-STQMWFEESA-N 0 0 458.805 4.726 20 0 JJADRN Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462893474 1068205362 /nfs/dbraw/zinc/20/53/62/1068205362.db2.gz WITNTJMHGWRRHN-SFHVURJKSA-N 0 0 456.564 4.523 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001462892280 1068205396 /nfs/dbraw/zinc/20/53/96/1068205396.db2.gz ZSJOCFWGZWLUPD-UHFFFAOYSA-N 0 0 453.218 4.504 20 0 JJADRN O=C(OCc1ccccc1I)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001462896383 1068207054 /nfs/dbraw/zinc/20/70/54/1068207054.db2.gz TWIKXXFWKOARGR-UHFFFAOYSA-N 0 0 452.679 4.546 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC001462901051 1068208834 /nfs/dbraw/zinc/20/88/34/1068208834.db2.gz XEOJAMNHZMYRKN-JTQLQIEISA-N 0 0 456.255 4.569 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC001462903129 1068209710 /nfs/dbraw/zinc/20/97/10/1068209710.db2.gz SPRRPRILFDIQJJ-MRXNPFEDSA-N 0 0 458.349 4.569 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC001462903128 1068209737 /nfs/dbraw/zinc/20/97/37/1068209737.db2.gz SPRRPRILFDIQJJ-INIZCTEOSA-N 0 0 458.349 4.569 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CCOc2ccccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135039 1068209775 /nfs/dbraw/zinc/20/97/75/1068209775.db2.gz MHMKHVQNBOLDGS-XMSQKQJNSA-N 0 0 453.341 4.768 20 0 JJADRN CCCc1sc(C(=O)Nc2nc(C(F)(F)F)c(C(=O)OCC)o2)cc1Br ZINC001462906997 1068211068 /nfs/dbraw/zinc/21/10/68/1068211068.db2.gz UMDZOTUEGMKVOU-UHFFFAOYSA-N 0 0 455.252 4.899 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c(Cl)c1Cl ZINC001462911260 1068212131 /nfs/dbraw/zinc/21/21/31/1068212131.db2.gz KPLSDLCTSUYYAA-JTQLQIEISA-N 0 0 458.285 4.767 20 0 JJADRN CO[C@@]1(CNC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)CCSC1 ZINC001462917651 1068213678 /nfs/dbraw/zinc/21/36/78/1068213678.db2.gz OJSWZTCLWCGELJ-OAQYLSRUSA-N 0 0 450.391 4.648 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001462918078 1068213733 /nfs/dbraw/zinc/21/37/33/1068213733.db2.gz QTLATLHUACSHHR-CYBMUJFWSA-N 0 0 453.436 4.583 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncncc2C(C)C)c1 ZINC001462916864 1068213761 /nfs/dbraw/zinc/21/37/61/1068213761.db2.gz XBEMJKPRROTBSU-UHFFFAOYSA-N 0 0 458.971 4.721 20 0 JJADRN Cc1cc(C(=O)Nc2cc(Br)ccc2C2=NCCO2)nn1-c1ccccc1Cl ZINC001462919955 1068214185 /nfs/dbraw/zinc/21/41/85/1068214185.db2.gz RTDFXLAYWIUMMN-UHFFFAOYSA-N 0 0 459.731 4.626 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC001462918679 1068214358 /nfs/dbraw/zinc/21/43/58/1068214358.db2.gz IFWIYSPNXBINGS-UHFFFAOYSA-N 0 0 454.695 4.854 20 0 JJADRN CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001462921974 1068215396 /nfs/dbraw/zinc/21/53/96/1068215396.db2.gz NVRWYRWIFXSHCP-UHFFFAOYSA-N 0 0 453.174 4.727 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001462928195 1068217685 /nfs/dbraw/zinc/21/76/85/1068217685.db2.gz VPCFTNUCWRGDRW-JKSUJKDBSA-N 0 0 458.967 4.677 20 0 JJADRN CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001462928546 1068217703 /nfs/dbraw/zinc/21/77/03/1068217703.db2.gz RVWLKKFYLDIYNH-CQSZACIVSA-N 0 0 456.391 4.770 20 0 JJADRN CCCOc1cccc(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462930209 1068218084 /nfs/dbraw/zinc/21/80/84/1068218084.db2.gz JTDNJGNCGPVOGL-IBGZPJMESA-N 0 0 456.558 4.887 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1Br)N1CC[C@H](c2ccccc2)C1 ZINC001462929641 1068218206 /nfs/dbraw/zinc/21/82/06/1068218206.db2.gz UHEUWDVXMDILRI-ZDUSSCGKSA-N 0 0 450.276 4.526 20 0 JJADRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC001462929850 1068218214 /nfs/dbraw/zinc/21/82/14/1068218214.db2.gz YAUHUABHVHXQOY-AWEZNQCLSA-N 0 0 459.486 4.663 20 0 JJADRN COCCN(CCc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001462932532 1068219800 /nfs/dbraw/zinc/21/98/00/1068219800.db2.gz VVKNRKGXCGOVPO-UHFFFAOYSA-N 0 0 455.420 4.604 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](C)COCC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462932331 1068219887 /nfs/dbraw/zinc/21/98/87/1068219887.db2.gz RGCQLNGMQRBVFY-ZDWFVDTJSA-N 0 0 452.998 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)cc1N(C)C ZINC001462935994 1068221390 /nfs/dbraw/zinc/22/13/90/1068221390.db2.gz OJTFSPIYMPYDFI-UHFFFAOYSA-N 0 0 459.587 4.889 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001462938544 1068222059 /nfs/dbraw/zinc/22/20/59/1068222059.db2.gz WIXUFFBKCCYPNS-IBGZPJMESA-N 0 0 457.036 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC001462940761 1068222707 /nfs/dbraw/zinc/22/27/07/1068222707.db2.gz CXEVFPYWZOSHPD-MLYXUHSOSA-N 0 0 455.020 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC001462940760 1068222852 /nfs/dbraw/zinc/22/28/52/1068222852.db2.gz CXEVFPYWZOSHPD-KULRYTOVSA-N 0 0 455.020 4.895 20 0 JJADRN COC(=O)[C@H]1CCCN1C(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001462943173 1068222895 /nfs/dbraw/zinc/22/28/95/1068222895.db2.gz UKTDJFASAPBHIA-LJQANCHMSA-N 0 0 455.352 4.694 20 0 JJADRN CC(=O)c1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1Cl ZINC001462943643 1068223331 /nfs/dbraw/zinc/22/33/31/1068223331.db2.gz ZOFROCRIQRQRLK-GOSISDBHSA-N 0 0 450.716 4.515 20 0 JJADRN O=S(=O)(Cc1ccc(-n2cccn2)cc1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001462944739 1068223343 /nfs/dbraw/zinc/22/33/43/1068223343.db2.gz LYCUNWLSUOZMPI-DEOSSOPVSA-N 0 0 453.514 4.554 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462945337 1068223911 /nfs/dbraw/zinc/22/39/11/1068223911.db2.gz BNAKTACLTRYUIZ-KZULUSFZSA-N 0 0 457.468 4.504 20 0 JJADRN CC(C)O[C@@]1(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCOC1 ZINC001462945464 1068223925 /nfs/dbraw/zinc/22/39/25/1068223925.db2.gz YAADUNPICNROMA-RUZDIDTESA-N 0 0 453.970 4.566 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C2CC2)O1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462945670 1068224092 /nfs/dbraw/zinc/22/40/92/1068224092.db2.gz BQLCZXLXBXSHAS-RXVVDRJESA-N 0 0 455.407 4.678 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)CCC2Cc3ccccc3C2)cc1 ZINC001462946347 1068224416 /nfs/dbraw/zinc/22/44/16/1068224416.db2.gz JCDVDWSQRKRBDM-AREMUKBSSA-N 0 0 453.579 4.843 20 0 JJADRN COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001462947816 1068224504 /nfs/dbraw/zinc/22/45/04/1068224504.db2.gz MUAGKTOFAOSKFS-LBPRGKRZSA-N 0 0 456.408 4.518 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2(C)C)cc1 ZINC001462947530 1068225175 /nfs/dbraw/zinc/22/51/75/1068225175.db2.gz ROFRUCWSLVNXFK-HXUWFJFHSA-N 0 0 456.999 4.816 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1cc(Oc3cccc(Br)c3)ccn1)[C@@H]2C ZINC001462950153 1068226149 /nfs/dbraw/zinc/22/61/49/1068226149.db2.gz IPEZPMRZLHTBFR-CQSZACIVSA-N 0 0 456.344 4.568 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1OC ZINC001462950197 1068226272 /nfs/dbraw/zinc/22/62/72/1068226272.db2.gz MTTQPCXCMSWTIQ-UHFFFAOYSA-N 0 0 452.787 4.920 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Cl)c1 ZINC001462951269 1068226324 /nfs/dbraw/zinc/22/63/24/1068226324.db2.gz MFSOYIDGFBKEEN-SFHVURJKSA-N 0 0 450.894 4.860 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ncc(Cc3ccccc3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135354 1068227478 /nfs/dbraw/zinc/22/74/78/1068227478.db2.gz UUPYGBHFDWPASU-IFMALSPDSA-N 0 0 455.917 4.538 20 0 JJADRN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c21 ZINC001462953752 1068227596 /nfs/dbraw/zinc/22/75/96/1068227596.db2.gz XYWGQPLOIATBJV-CJNGLKHVSA-N 0 0 453.029 4.978 20 0 JJADRN CC[C@H](c1ccccc1)N(CC)S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462953966 1068228188 /nfs/dbraw/zinc/22/81/88/1068228188.db2.gz KDFSGBSPXUFTQV-BJKOFHAPSA-N 0 0 458.624 4.981 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)Oc3ccc(Sc4ccncc4)cc3)cc21 ZINC001462954382 1068228301 /nfs/dbraw/zinc/22/83/01/1068228301.db2.gz KKTHIHGOARVOOO-MRXNPFEDSA-N 0 0 454.573 4.861 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462955891 1068228807 /nfs/dbraw/zinc/22/88/07/1068228807.db2.gz UKRAPGSDKVNIIM-GOSISDBHSA-N 0 0 452.320 4.718 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1csc(-c3ccc(Br)s3)n1)[C@@H]2C ZINC001462954801 1068228909 /nfs/dbraw/zinc/22/89/09/1068228909.db2.gz RPKHTHBHOJBRMR-SNVBAGLBSA-N 0 0 452.403 4.566 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)NC1(c2ccc(Br)cc2)CCC1 ZINC001462958432 1068229679 /nfs/dbraw/zinc/22/96/79/1068229679.db2.gz FWWDRAJQKXICBJ-UHFFFAOYSA-N 0 0 459.203 4.710 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cccc2scnc21)c1ccc(Br)c(Cl)c1 ZINC001462965926 1068232161 /nfs/dbraw/zinc/23/21/61/1068232161.db2.gz RAJWTQHTTVQBMQ-HNNXBMFYSA-N 0 0 453.745 4.746 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cncc(-c2cccc(C)c2)c1)c1cccc(Br)c1 ZINC001462967564 1068232247 /nfs/dbraw/zinc/23/22/47/1068232247.db2.gz XNRLJHQUWFVFOD-QHCPKHFHSA-N 0 0 453.336 4.638 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)c1F ZINC001462967186 1068232309 /nfs/dbraw/zinc/23/23/09/1068232309.db2.gz WFDDPBIQDXFGSW-MRXNPFEDSA-N 0 0 456.377 4.549 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001462968718 1068232844 /nfs/dbraw/zinc/23/28/44/1068232844.db2.gz GLPMLBPLURTJMS-ABAIWWIYSA-N 0 0 452.267 4.750 20 0 JJADRN CCOc1ccccc1OCC(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462971799 1068233314 /nfs/dbraw/zinc/23/33/14/1068233314.db2.gz DJRGPRVERVSOMK-IBGZPJMESA-N 0 0 454.567 4.584 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC001462971914 1068233975 /nfs/dbraw/zinc/23/39/75/1068233975.db2.gz DUDOOUBAICSUOK-IBGZPJMESA-N 0 0 450.579 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc21 ZINC001462971818 1068233985 /nfs/dbraw/zinc/23/39/85/1068233985.db2.gz DOLPKWZZYGWDPF-DLBZAZTESA-N 0 0 458.505 4.735 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001462972848 1068234135 /nfs/dbraw/zinc/23/41/35/1068234135.db2.gz UITMMRNJNQQNKT-UHFFFAOYSA-N 0 0 455.979 4.538 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)nc(-c2ccc(Cl)cc2)n1 ZINC001462974833 1068235128 /nfs/dbraw/zinc/23/51/28/1068235128.db2.gz HKYQNYJSCRKYLV-UHFFFAOYSA-N 0 0 450.926 4.739 20 0 JJADRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC001462976971 1068235781 /nfs/dbraw/zinc/23/57/81/1068235781.db2.gz KNPMPCYYGUBZOT-UHFFFAOYSA-N 0 0 453.557 4.524 20 0 JJADRN CN(C)c1cc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC001462976652 1068235790 /nfs/dbraw/zinc/23/57/90/1068235790.db2.gz LJBIFNFIEVFWON-QGZVFWFLSA-N 0 0 457.905 4.579 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 ZINC001462977426 1068236220 /nfs/dbraw/zinc/23/62/20/1068236220.db2.gz ONLWITBSUHWXAD-UHFFFAOYSA-N 0 0 451.567 4.583 20 0 JJADRN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC001462980751 1068237510 /nfs/dbraw/zinc/23/75/10/1068237510.db2.gz GTVBGSANZZNMJG-QGZVFWFLSA-N 0 0 453.442 4.551 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CC[C@H]1c1ccc(C)o1 ZINC001462981644 1068238050 /nfs/dbraw/zinc/23/80/50/1068238050.db2.gz YCRANPUIRHSXBW-ZWKOTPCHSA-N 0 0 453.461 4.974 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462982521 1068238639 /nfs/dbraw/zinc/23/86/39/1068238639.db2.gz RGICMKMGJMZDRR-UZUQRXQVSA-N 0 0 456.608 4.714 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001462982979 1068239352 /nfs/dbraw/zinc/23/93/52/1068239352.db2.gz ZNZOTVQFCWVWAN-RTBURBONSA-N 0 0 454.542 4.904 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001462985935 1068240398 /nfs/dbraw/zinc/24/03/98/1068240398.db2.gz RXNSMJLZCVJXGD-CYBMUJFWSA-N 0 0 452.359 4.843 20 0 JJADRN COc1ccc(OCCCC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)cc1 ZINC001462991761 1068242176 /nfs/dbraw/zinc/24/21/76/1068242176.db2.gz GAKVDFMJKPCVMG-UHFFFAOYSA-N 0 0 451.473 4.764 20 0 JJADRN COC[C@@H](CNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21)C(C)C ZINC001462994094 1068242631 /nfs/dbraw/zinc/24/26/31/1068242631.db2.gz PKTLFMVSGGTWKS-GOSISDBHSA-N 0 0 452.551 4.576 20 0 JJADRN Cc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2F)cc(Br)cc1C(F)(F)F ZINC001462993332 1068242678 /nfs/dbraw/zinc/24/26/78/1068242678.db2.gz XFVSYOFSMJYJDB-UHFFFAOYSA-N 0 0 454.239 4.571 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC001462996530 1068243203 /nfs/dbraw/zinc/24/32/03/1068243203.db2.gz DUDUYCTWKDQXKC-INIZCTEOSA-N 0 0 451.995 4.904 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCCC1 ZINC001546135753 1068243944 /nfs/dbraw/zinc/24/39/44/1068243944.db2.gz FGAPMVHKGYOBSP-IBGZPJMESA-N 0 0 494.105 4.677 20 0 JJADRN CC(F)(F)CCCS(=O)(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001463001205 1068245125 /nfs/dbraw/zinc/24/51/25/1068245125.db2.gz NQAPTYZCXUFHMF-NRFANRHFSA-N 0 0 456.986 4.812 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001463004037 1068246216 /nfs/dbraw/zinc/24/62/16/1068246216.db2.gz BXMBVXJCMUZMHB-UHFFFAOYSA-N 0 0 453.789 4.950 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463004644 1068246322 /nfs/dbraw/zinc/24/63/22/1068246322.db2.gz KTRGGRBCHQCXQZ-JWQCQUIFSA-N 0 0 456.652 4.744 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463005380 1068246862 /nfs/dbraw/zinc/24/68/62/1068246862.db2.gz AGSULMMUQGQCGU-LLVKDONJSA-N 0 0 459.233 4.613 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cc(Cl)cc2c1OCC2 ZINC001463005285 1068246956 /nfs/dbraw/zinc/24/69/56/1068246956.db2.gz XWLWJSRKBVMBBY-MRXNPFEDSA-N 0 0 455.963 4.740 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463005590 1068246965 /nfs/dbraw/zinc/24/69/65/1068246965.db2.gz YSLIEFPTGJWQSY-WCQYABFASA-N 0 0 453.753 4.812 20 0 JJADRN C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(Cl)cc2c1OCC2 ZINC001463004344 1068246983 /nfs/dbraw/zinc/24/69/83/1068246983.db2.gz WTCKGJSPURPMHZ-ZDUSSCGKSA-N 0 0 453.892 4.783 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(C)(C)c1ccccc1Cl ZINC001463006349 1068247440 /nfs/dbraw/zinc/24/74/40/1068247440.db2.gz OXZPGVLNAKURJY-UHFFFAOYSA-N 0 0 450.771 4.690 20 0 JJADRN O=S(=O)(C[C@H]1COc2ccccc2O1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463006009 1068247462 /nfs/dbraw/zinc/24/74/62/1068247462.db2.gz NXOXSDVSZUYGIB-NHCUHLMSSA-N 0 0 450.000 4.591 20 0 JJADRN COC(=O)[C@]1(C(=O)NCc2c(Cl)cc(Br)cc2Cl)C[C@H]1c1ccccc1 ZINC001463007751 1068247953 /nfs/dbraw/zinc/24/79/53/1068247953.db2.gz FGHRNSCGRMWRDH-IFXJQAMLSA-N 0 0 457.151 4.719 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1 ZINC001463011376 1068250273 /nfs/dbraw/zinc/25/02/73/1068250273.db2.gz XPUFHEIUJJONLN-LJQANCHMSA-N 0 0 453.560 4.790 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCc1c(Cl)cc(Br)cc1Cl)c1ccc(C)cc1 ZINC001463011728 1068250540 /nfs/dbraw/zinc/25/05/40/1068250540.db2.gz NHSLXAZJTLZINH-SFHVURJKSA-N 0 0 458.183 4.948 20 0 JJADRN Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463012542 1068250868 /nfs/dbraw/zinc/25/08/68/1068250868.db2.gz PVGQPDPFFWMASI-VIFPVBQESA-N 0 0 450.185 4.955 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)ccc2c1 ZINC001463014677 1068251432 /nfs/dbraw/zinc/25/14/32/1068251432.db2.gz LTLWKXZSXNVKOV-GOSISDBHSA-N 0 0 455.555 4.510 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCCc4c(Cl)ccc(F)c43)cc21 ZINC001463014227 1068251461 /nfs/dbraw/zinc/25/14/61/1068251461.db2.gz AEDJDSIVDIMELM-UHFFFAOYSA-N 0 0 457.752 4.875 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1Br)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001463013919 1068251643 /nfs/dbraw/zinc/25/16/43/1068251643.db2.gz AEHBVURVAPZZQH-SFHVURJKSA-N 0 0 450.329 4.504 20 0 JJADRN CCC(CC)(CNS(=O)(=O)CC1(C(=O)OC)CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001463015809 1068252495 /nfs/dbraw/zinc/25/24/95/1068252495.db2.gz BMHQWAZYSQQBBH-UHFFFAOYSA-N 0 0 450.428 4.704 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N(CCc2ccccc2)C2CCCC2)c1F ZINC001463018837 1068253820 /nfs/dbraw/zinc/25/38/20/1068253820.db2.gz WBCREVRYNYCMNU-UHFFFAOYSA-N 0 0 456.377 4.773 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)sc1C ZINC001463018306 1068254023 /nfs/dbraw/zinc/25/40/23/1068254023.db2.gz OWFIKFCTQLJMMK-UHFFFAOYSA-N 0 0 459.568 4.895 20 0 JJADRN COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001463025591 1068255843 /nfs/dbraw/zinc/25/58/43/1068255843.db2.gz UEEMEZMGRKJTHF-QGZVFWFLSA-N 0 0 450.501 4.754 20 0 JJADRN Cc1nc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nn1-c1ccccc1C(C)C ZINC001463026662 1068256352 /nfs/dbraw/zinc/25/63/52/1068256352.db2.gz VNSAHLAEYJLJBG-AWEZNQCLSA-N 0 0 450.930 4.894 20 0 JJADRN C[C@H](NC(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC001463027615 1068256825 /nfs/dbraw/zinc/25/68/25/1068256825.db2.gz YYQLMSNIQKYVIH-NSHDSACASA-N 0 0 459.293 4.530 20 0 JJADRN CCOc1ccc(Br)cc1CN(C1CC1)S(=O)(=O)CCCc1ccccc1 ZINC001463036691 1068258998 /nfs/dbraw/zinc/25/89/98/1068258998.db2.gz UDNFLXHZAOTJDL-UHFFFAOYSA-N 0 0 452.414 4.775 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001463038158 1068259653 /nfs/dbraw/zinc/25/96/53/1068259653.db2.gz DYHFXVMRUNBVFM-CYBMUJFWSA-N 0 0 450.320 4.827 20 0 JJADRN CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC001463039432 1068260120 /nfs/dbraw/zinc/26/01/20/1068260120.db2.gz DCCPSLSWRHDYCS-IBGZPJMESA-N 0 0 452.363 4.592 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C1CC1)S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463040738 1068261204 /nfs/dbraw/zinc/26/12/04/1068261204.db2.gz JFLWGXIOUJMUBP-QHCPKHFHSA-N 0 0 457.636 4.928 20 0 JJADRN CC(C)(Cc1ccccc1Cl)NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463039876 1068261226 /nfs/dbraw/zinc/26/12/26/1068261226.db2.gz IXSHTQSVRAHTPS-GOSISDBHSA-N 0 0 456.833 4.901 20 0 JJADRN CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(OC)cc1 ZINC001463040791 1068261240 /nfs/dbraw/zinc/26/12/40/1068261240.db2.gz LKXPOQVSAFZWMU-LJQANCHMSA-N 0 0 457.951 4.874 20 0 JJADRN COC(=O)c1cc(C)ccc1OS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463041712 1068261773 /nfs/dbraw/zinc/26/17/73/1068261773.db2.gz DMCOQVNIBRWOAT-UHFFFAOYSA-N 0 0 454.125 4.619 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001546136053 1068261922 /nfs/dbraw/zinc/26/19/22/1068261922.db2.gz PAVMLUILAIJGSL-QGZVFWFLSA-N 0 0 463.420 4.528 20 0 JJADRN COc1ccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1OC1CCCC1 ZINC001463042654 1068261933 /nfs/dbraw/zinc/26/19/33/1068261933.db2.gz MMGVRZZFIOOUBI-UHFFFAOYSA-N 0 0 459.486 4.535 20 0 JJADRN CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001463043706 1068262332 /nfs/dbraw/zinc/26/23/32/1068262332.db2.gz OTBRPDLERDBHLV-LJQANCHMSA-N 0 0 455.889 4.949 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1cccc(Cl)c1 ZINC001463044874 1068262534 /nfs/dbraw/zinc/26/25/34/1068262534.db2.gz ARLKZFBMSBDRSF-AREMUKBSSA-N 0 0 452.761 4.644 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccccc2N2CCC[C@@H](C)C2)cc1Br ZINC001463045788 1068263064 /nfs/dbraw/zinc/26/30/64/1068263064.db2.gz ZRLBFMSLHSVABW-OAHLLOKOSA-N 0 0 454.386 4.852 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001463045864 1068263101 /nfs/dbraw/zinc/26/31/01/1068263101.db2.gz CPOWDCJPVDZBBK-HSZRJFAPSA-N 0 0 454.567 4.580 20 0 JJADRN C[C@@H]1[C@H](C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001463045861 1068263210 /nfs/dbraw/zinc/26/32/10/1068263210.db2.gz COCTZJPHZAHMHK-WZONZLPQSA-N 0 0 456.558 4.709 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC001463046233 1068263671 /nfs/dbraw/zinc/26/36/71/1068263671.db2.gz DKHPRPLGXAGFJV-QGZVFWFLSA-N 0 0 457.621 4.722 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)c1 ZINC001463045874 1068263678 /nfs/dbraw/zinc/26/36/78/1068263678.db2.gz BQZPOLKXIQTEOO-GDLZYMKVSA-N 0 0 453.841 4.925 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)c1Cl ZINC001463046388 1068263762 /nfs/dbraw/zinc/26/37/62/1068263762.db2.gz GFYLGEIATGVTEU-VWLOTQADSA-N 0 0 454.784 4.738 20 0 JJADRN CC(C)c1ccc([C@H](CNS(=O)(=O)Cc2ccccc2F)NC(=O)OC(C)(C)C)cc1 ZINC001463046749 1068264486 /nfs/dbraw/zinc/26/44/86/1068264486.db2.gz MVMUBCUYAQPYFX-NRFANRHFSA-N 0 0 450.576 4.635 20 0 JJADRN O=C(N(c1ccccc1)c1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC001463046457 1068264555 /nfs/dbraw/zinc/26/45/55/1068264555.db2.gz FURNAZHPXRECRK-HXUWFJFHSA-N 0 0 453.539 4.527 20 0 JJADRN C=Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001463049165 1068264996 /nfs/dbraw/zinc/26/49/96/1068264996.db2.gz URMZGPLXSAVXJL-JOCHJYFZSA-N 0 0 456.608 4.920 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2C1 ZINC001463049636 1068265535 /nfs/dbraw/zinc/26/55/35/1068265535.db2.gz MXKHQPVGXOMXHQ-UHFFFAOYSA-N 0 0 456.587 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CCCCc3nc4ccccc4s3)cc2C1 ZINC001463050566 1068265685 /nfs/dbraw/zinc/26/56/85/1068265685.db2.gz RFYYUEWADUUKQR-UHFFFAOYSA-N 0 0 455.584 4.595 20 0 JJADRN Cc1c(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001463051608 1068266317 /nfs/dbraw/zinc/26/63/17/1068266317.db2.gz RVVXSQAVMIQNBO-SSEXGKCCSA-N 0 0 456.877 4.604 20 0 JJADRN CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)cc2C1 ZINC001463052772 1068266868 /nfs/dbraw/zinc/26/68/68/1068266868.db2.gz FYEHUIRLBBBJEB-OAQYLSRUSA-N 0 0 453.029 4.516 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001463054178 1068267387 /nfs/dbraw/zinc/26/73/87/1068267387.db2.gz IVEIEVAETUFLOR-UHFFFAOYSA-N 0 0 456.605 4.616 20 0 JJADRN CCCCCC[C@@](C)(NS(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)OCC ZINC001463056679 1068268629 /nfs/dbraw/zinc/26/86/29/1068268629.db2.gz VVWFQBGYNAZHME-QGZVFWFLSA-N 0 0 454.814 4.673 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cs2)cc1OC ZINC001463057434 1068269194 /nfs/dbraw/zinc/26/91/94/1068269194.db2.gz NFXJKQRZGBJFCL-OJLQRUNKSA-N 0 0 452.576 4.747 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1Cl ZINC001463057353 1068269244 /nfs/dbraw/zinc/26/92/44/1068269244.db2.gz PIOCHQKNKJJNDI-STQMWFEESA-N 0 0 456.819 4.603 20 0 JJADRN CCSc1ccc([C@@H](C)NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058899 1068270112 /nfs/dbraw/zinc/27/01/12/1068270112.db2.gz JCZQOBWZKTYIFX-PFUSGODGSA-N 0 0 452.545 4.741 20 0 JJADRN CCSc1ccc([C@@H](C)NS(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)cc1 ZINC001463059989 1068270590 /nfs/dbraw/zinc/27/05/90/1068270590.db2.gz MQVJYBDELSDMTA-MRXNPFEDSA-N 0 0 452.605 4.880 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(Br)c(F)c1 ZINC001463060481 1068270600 /nfs/dbraw/zinc/27/06/00/1068270600.db2.gz XKFADBCDKAUTHH-UHFFFAOYSA-N 0 0 454.111 4.517 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001546136212 1068270912 /nfs/dbraw/zinc/27/09/12/1068270912.db2.gz VGLSDTCETDTOGQ-UHFFFAOYSA-N 0 0 488.474 4.981 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1Cl ZINC001463061946 1068270928 /nfs/dbraw/zinc/27/09/28/1068270928.db2.gz FGGKVVRNPCURJT-HXOBKFHXSA-N 0 0 451.995 4.679 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001463061565 1068271001 /nfs/dbraw/zinc/27/10/01/1068271001.db2.gz FBDYXSBKRTUDKV-FQEVSTJZSA-N 0 0 450.560 4.683 20 0 JJADRN Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001463063690 1068272139 /nfs/dbraw/zinc/27/21/39/1068272139.db2.gz OCRDPSHHXJTNEX-JOCHJYFZSA-N 0 0 452.599 4.777 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC001463063155 1068272370 /nfs/dbraw/zinc/27/23/70/1068272370.db2.gz GSECIWNHPMGEHA-IBGZPJMESA-N 0 0 458.393 4.810 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546136234 1068272818 /nfs/dbraw/zinc/27/28/18/1068272818.db2.gz WDGDAXBYDDENHO-HXUWFJFHSA-N 0 0 499.656 4.512 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001463065046 1068273330 /nfs/dbraw/zinc/27/33/30/1068273330.db2.gz NSMZXTOEOIJXSL-QGZVFWFLSA-N 0 0 454.777 4.895 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC001463065494 1068273458 /nfs/dbraw/zinc/27/34/58/1068273458.db2.gz MDWWHFHSXUDYET-UHFFFAOYSA-N 0 0 459.571 4.994 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001463066397 1068274035 /nfs/dbraw/zinc/27/40/35/1068274035.db2.gz NMCZJJXALLVNGM-DNQXCXABSA-N 0 0 459.546 4.581 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)ccc1OC(F)(F)F ZINC001463067940 1068274577 /nfs/dbraw/zinc/27/45/77/1068274577.db2.gz VWFLGIUDUMHENO-IEBWSBKVSA-N 0 0 450.457 4.814 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cs2)cc1 ZINC001463067518 1068274585 /nfs/dbraw/zinc/27/45/85/1068274585.db2.gz OOWRBKVEOHRNPY-UQBPGWFLSA-N 0 0 455.624 4.957 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001463068311 1068274770 /nfs/dbraw/zinc/27/47/70/1068274770.db2.gz XXLCENZODRUMKW-NLSFWIRASA-N 0 0 450.579 4.936 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3CCC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)cs2)cc1 ZINC001463067513 1068274783 /nfs/dbraw/zinc/27/47/83/1068274783.db2.gz OOWRBKVEOHRNPY-DFBJGRDBSA-N 0 0 455.624 4.957 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001463069629 1068275946 /nfs/dbraw/zinc/27/59/46/1068275946.db2.gz WXKQIIDULZBMPV-FDFHNCONSA-N 0 0 454.998 4.800 20 0 JJADRN CC(C)(C)OC(=O)NOCCCNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001463072244 1068276715 /nfs/dbraw/zinc/27/67/15/1068276715.db2.gz IWLLLKAATGJEKB-IBGZPJMESA-N 0 0 452.910 4.562 20 0 JJADRN COc1ccc(CCN(CC(C)C)S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1OC ZINC001463072574 1068277407 /nfs/dbraw/zinc/27/74/07/1068277407.db2.gz CMEONVDJRZBMKY-UHFFFAOYSA-N 0 0 459.530 4.698 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 ZINC001463076108 1068278656 /nfs/dbraw/zinc/27/86/56/1068278656.db2.gz OYICVYFDVXZPJD-UHFFFAOYSA-N 0 0 451.498 4.935 20 0 JJADRN CN(Cc1c(OCc2ccccc2)ccc2ccccc21)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC001463077341 1068279507 /nfs/dbraw/zinc/27/95/07/1068279507.db2.gz MXVFROCJDWQSRJ-UHFFFAOYSA-N 0 0 451.588 4.733 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001463079613 1068280131 /nfs/dbraw/zinc/28/01/31/1068280131.db2.gz MBMPPBZPJMIDBC-UHFFFAOYSA-N 0 0 454.523 4.586 20 0 JJADRN COc1cc(F)c([C@@H](C)NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1OC ZINC001463078073 1068280181 /nfs/dbraw/zinc/28/01/81/1068280181.db2.gz FLJXPROEUMLXKE-MRXNPFEDSA-N 0 0 451.560 4.842 20 0 JJADRN COc1cccc(F)c1CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001463084746 1068281766 /nfs/dbraw/zinc/28/17/66/1068281766.db2.gz GRKTXXWYKHASKS-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN O=S(=O)(NCc1ccccc1COc1ccccc1Cl)c1cccnc1C(F)(F)F ZINC001463086595 1068282570 /nfs/dbraw/zinc/28/25/70/1068282570.db2.gz DTDIICXRGFGYPV-UHFFFAOYSA-N 0 0 456.873 4.811 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)cn1 ZINC001463087035 1068282871 /nfs/dbraw/zinc/28/28/71/1068282871.db2.gz BOHCZXOGQPDMBQ-UHFFFAOYSA-N 0 0 454.592 4.805 20 0 JJADRN COc1cc(F)ccc1S(=O)(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001463088829 1068282975 /nfs/dbraw/zinc/28/29/75/1068282975.db2.gz DEBUCABRLMNMIX-UHFFFAOYSA-N 0 0 456.417 4.519 20 0 JJADRN C[C@H](CNC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC001463089613 1068283594 /nfs/dbraw/zinc/28/35/94/1068283594.db2.gz HGSIODOFZOBTAC-LLVKDONJSA-N 0 0 454.155 4.870 20 0 JJADRN Cc1ccc(I)cc1C(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC001463091759 1068283629 /nfs/dbraw/zinc/28/36/29/1068283629.db2.gz LCLMPMIAJGUFIT-GFCCVEGCSA-N 0 0 458.137 4.896 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCc2c(F)cccc2OC)s1 ZINC001463092531 1068284244 /nfs/dbraw/zinc/28/42/44/1068284244.db2.gz XKHKPEPFVIORSF-UHFFFAOYSA-N 0 0 451.317 4.659 20 0 JJADRN COc1cc(C(=O)NC[C@@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC001463091807 1068284271 /nfs/dbraw/zinc/28/42/71/1068284271.db2.gz LJDYTGJJLGCSSZ-LLVKDONJSA-N 0 0 457.162 4.762 20 0 JJADRN CC1(C)CC[C@@H](CCNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)OC1 ZINC001463094901 1068284905 /nfs/dbraw/zinc/28/49/05/1068284905.db2.gz BMTOQGRZYHOVTC-SFHVURJKSA-N 0 0 456.396 4.639 20 0 JJADRN CC1(C)CC[C@H](CCNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)OC1 ZINC001463094899 1068284940 /nfs/dbraw/zinc/28/49/40/1068284940.db2.gz BMTOQGRZYHOVTC-GOSISDBHSA-N 0 0 456.396 4.639 20 0 JJADRN C[C@H](CNC(=O)c1csc(I)c1)c1ccc(Br)cc1 ZINC001463099056 1068286192 /nfs/dbraw/zinc/28/61/92/1068286192.db2.gz XSDUKZMBJWKTOG-SECBINFHSA-N 0 0 450.139 4.649 20 0 JJADRN COc1cc(Br)c(C(=O)NC[C@@H](C)c2ccc(Br)cc2)cc1OC ZINC001463099945 1068286643 /nfs/dbraw/zinc/28/66/43/1068286643.db2.gz ZMFNIPXHTLQQFJ-LLVKDONJSA-N 0 0 457.162 4.762 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2cc(F)ccc2Br)cc1)C1CCCCC1 ZINC001463100774 1068287506 /nfs/dbraw/zinc/28/75/06/1068287506.db2.gz XYJAWCOLJISQMG-UHFFFAOYSA-N 0 0 456.333 4.875 20 0 JJADRN Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001463100905 1068287546 /nfs/dbraw/zinc/28/75/46/1068287546.db2.gz PBEPRICDDYPTOY-SSEXGKCCSA-N 0 0 457.573 4.677 20 0 JJADRN CC(C)(CCS(=O)(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)C1CC1 ZINC001463101218 1068287619 /nfs/dbraw/zinc/28/76/19/1068287619.db2.gz NPLHJIIYNDYDEA-UHFFFAOYSA-N 0 0 459.587 4.984 20 0 JJADRN O=S(=O)(CCCC1CCOCC1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001463102276 1068288266 /nfs/dbraw/zinc/28/82/66/1068288266.db2.gz SVBQBZXTMSROCC-UHFFFAOYSA-N 0 0 458.502 4.519 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2C)cc1OC ZINC001463102763 1068288285 /nfs/dbraw/zinc/28/82/85/1068288285.db2.gz ZRAPLRMVPLELMH-KRWDZBQOSA-N 0 0 456.402 4.840 20 0 JJADRN O=S(=O)(NCCCO[C@@H]1CCCc2ccccc21)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001463104851 1068289422 /nfs/dbraw/zinc/28/94/22/1068289422.db2.gz HITWPFJTOUSJPA-OAQYLSRUSA-N 0 0 451.947 4.616 20 0 JJADRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 ZINC001463108422 1068290070 /nfs/dbraw/zinc/29/00/70/1068290070.db2.gz RVQJKAJATVONCR-KRWDZBQOSA-N 0 0 458.605 4.784 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)NCCc2cc(Br)ccc2SC)c(C)n1 ZINC001463109990 1068290499 /nfs/dbraw/zinc/29/04/99/1068290499.db2.gz UZVUXIRLLMFFGO-ZDUSSCGKSA-N 0 0 450.446 4.993 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001463109658 1068290598 /nfs/dbraw/zinc/29/05/98/1068290598.db2.gz GTZMERIFIXELDY-UHFFFAOYSA-N 0 0 452.281 4.694 20 0 JJADRN CCN(Cc1ccccc1)S(=O)(=O)N[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001463115625 1068292254 /nfs/dbraw/zinc/29/22/54/1068292254.db2.gz HANIZCQPTPECJR-SANMLTNESA-N 0 0 452.620 4.952 20 0 JJADRN COc1cccc([C@H](NS(=O)(=O)c2cc(F)c(OC)c(F)c2)c2ccccc2Cl)c1 ZINC001463116092 1068292648 /nfs/dbraw/zinc/29/26/48/1068292648.db2.gz KVZVXOAWMBEINQ-FQEVSTJZSA-N 0 0 453.894 4.703 20 0 JJADRN COC(=O)Cn1ncc2ccc(NC(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc43)cc21 ZINC001463116710 1068292815 /nfs/dbraw/zinc/29/28/15/1068292815.db2.gz KTUFCKJPVNPYRB-CYBMUJFWSA-N 0 0 454.939 4.530 20 0 JJADRN CC[C@@](C)(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1nc(C)cs1 ZINC001463117570 1068293288 /nfs/dbraw/zinc/29/32/88/1068293288.db2.gz LNUDQJNHUVXNFK-CQSZACIVSA-N 0 0 457.337 4.837 20 0 JJADRN Cc1ncsc1CCS(=O)(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001463121659 1068294531 /nfs/dbraw/zinc/29/45/31/1068294531.db2.gz NIMXMFJVAZCUOM-UHFFFAOYSA-N 0 0 457.499 4.666 20 0 JJADRN CCCN([C@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463122154 1068295120 /nfs/dbraw/zinc/29/51/20/1068295120.db2.gz HWWQGJDYSFXADN-GJZGRUSLSA-N 0 0 456.805 4.846 20 0 JJADRN CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001463121826 1068295153 /nfs/dbraw/zinc/29/51/53/1068295153.db2.gz OQCLUOOGYXUMSJ-SFHVURJKSA-N 0 0 457.821 4.533 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)n1 ZINC001463125258 1068295621 /nfs/dbraw/zinc/29/56/21/1068295621.db2.gz YSGKYHUSWYPAFT-AWEZNQCLSA-N 0 0 454.162 4.599 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001463125629 1068296199 /nfs/dbraw/zinc/29/61/99/1068296199.db2.gz VSZPUZNBRMLFGN-MRXNPFEDSA-N 0 0 457.821 4.700 20 0 JJADRN Cc1ccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CC2)c(Br)c1 ZINC001463132402 1068297950 /nfs/dbraw/zinc/29/79/50/1068297950.db2.gz RUJSQUDTTRYIQE-UHFFFAOYSA-N 0 0 459.203 4.530 20 0 JJADRN COC(=O)c1cc(OC)ccc1S(=O)(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001463133920 1068298400 /nfs/dbraw/zinc/29/84/00/1068298400.db2.gz FTLUSELDHZOEQP-OAHLLOKOSA-N 0 0 459.951 4.842 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1OC ZINC001463139572 1068300180 /nfs/dbraw/zinc/30/01/80/1068300180.db2.gz UCJMACKLEKBXGW-IBGZPJMESA-N 0 0 451.972 4.750 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)s1 ZINC001463141502 1068300662 /nfs/dbraw/zinc/30/06/62/1068300662.db2.gz CNPMBNXANCPQIW-KRWDZBQOSA-N 0 0 458.443 4.540 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1C ZINC001463141627 1068300739 /nfs/dbraw/zinc/30/07/39/1068300739.db2.gz ZABYUGMSRKFXQV-UHFFFAOYSA-N 0 0 453.516 4.820 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)c1 ZINC001463141064 1068300896 /nfs/dbraw/zinc/30/08/96/1068300896.db2.gz WWZYJLIAWCKLHY-UHFFFAOYSA-N 0 0 455.532 4.880 20 0 JJADRN Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)ccc1N1CCOCC1=O ZINC001463143740 1068301115 /nfs/dbraw/zinc/30/11/15/1068301115.db2.gz RJXIGZZFDYUKML-UHFFFAOYSA-N 0 0 459.930 4.611 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)CSCC(F)(F)F ZINC001463144687 1068301522 /nfs/dbraw/zinc/30/15/22/1068301522.db2.gz WZBJOUWJKGJBDU-OAHLLOKOSA-N 0 0 457.299 4.510 20 0 JJADRN O=S(=O)(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC001463146470 1068302117 /nfs/dbraw/zinc/30/21/17/1068302117.db2.gz IAWUUZMIWOUBDD-NRFANRHFSA-N 0 0 452.359 4.584 20 0 JJADRN O=C(Nc1cccc(NC(=O)C(F)(F)C2CCOCC2)c1)c1ccc(Br)cc1 ZINC001463145180 1068302334 /nfs/dbraw/zinc/30/23/34/1068302334.db2.gz ZXBUIQKORNLDKA-UHFFFAOYSA-N 0 0 453.283 4.702 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C1CC1)S(=O)(=O)c1c(F)cccc1F ZINC001463149089 1068303143 /nfs/dbraw/zinc/30/31/43/1068303143.db2.gz POSZEXWWTUOYGJ-UHFFFAOYSA-N 0 0 452.523 4.656 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1-c1ccccc1 ZINC001463149858 1068303650 /nfs/dbraw/zinc/30/36/50/1068303650.db2.gz YYYLCRWNFJBHCV-HXUWFJFHSA-N 0 0 452.359 4.681 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1-c1ccccc1 ZINC001463149855 1068303831 /nfs/dbraw/zinc/30/38/31/1068303831.db2.gz YYYLCRWNFJBHCV-FQEVSTJZSA-N 0 0 452.359 4.681 20 0 JJADRN COc1cc(C(=O)Nc2c(F)ccc(Br)c2F)cc(Br)c1OC ZINC001463157551 1068306195 /nfs/dbraw/zinc/30/61/95/1068306195.db2.gz LIAGPBGIJSBOFE-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccccn3)s2)CC1 ZINC001463159652 1068306767 /nfs/dbraw/zinc/30/67/67/1068306767.db2.gz WYEGYORVXFKPAQ-UHFFFAOYSA-N 0 0 457.577 4.608 20 0 JJADRN O=S(=O)(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc2ccc(Cl)nc2cc1F ZINC001463160775 1068306916 /nfs/dbraw/zinc/30/69/16/1068306916.db2.gz LXOIEBLBBCXHGU-UHFFFAOYSA-N 0 0 455.338 4.665 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(OC(F)(F)F)ccc1Br ZINC001463161024 1068307228 /nfs/dbraw/zinc/30/72/28/1068307228.db2.gz FBMPBCWPGROMJJ-CQSZACIVSA-N 0 0 451.283 4.713 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1OC ZINC001463163330 1068307512 /nfs/dbraw/zinc/30/75/12/1068307512.db2.gz DLTWPKBSNDTWLJ-FOIQADDNSA-N 0 0 451.972 4.606 20 0 JJADRN CCCOc1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)c(OC2CCCC2)c1 ZINC001463165385 1068307792 /nfs/dbraw/zinc/30/77/92/1068307792.db2.gz FBJBYSMCGCWXAN-UHFFFAOYSA-N 0 0 450.579 4.896 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001463165425 1068308090 /nfs/dbraw/zinc/30/80/90/1068308090.db2.gz LKEVZMXHIHLIKP-MGPUTAFESA-N 0 0 455.498 4.962 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)NCC(C)(C)Sc3ccc(Br)cc3)ccc2O1 ZINC001463165891 1068308128 /nfs/dbraw/zinc/30/81/28/1068308128.db2.gz ISXKIRCDNGDVNG-ZDUSSCGKSA-N 0 0 456.427 4.622 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(CC)[C@@H](CC)Cc2ccc(C)cc2)cnc1C(F)F ZINC001463178249 1068310279 /nfs/dbraw/zinc/31/02/79/1068310279.db2.gz RGIYBCDVPZPRBR-KRWDZBQOSA-N 0 0 454.539 4.536 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3ccnn3Cc3ccc(Cl)s3)n2)cc1 ZINC001463178601 1068310669 /nfs/dbraw/zinc/31/06/69/1068310669.db2.gz RMLIYXGVBYLPBY-UHFFFAOYSA-N 0 0 457.943 4.666 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc2nc(Cl)ccc2s1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001463180569 1068311390 /nfs/dbraw/zinc/31/13/90/1068311390.db2.gz IIKVQTGVMKNXBE-ZKANADHPSA-N 0 0 451.784 4.657 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546137131 1068311605 /nfs/dbraw/zinc/31/16/05/1068311605.db2.gz GOALTFZDIHWEHF-SFHVURJKSA-N 0 0 456.635 4.603 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC001463181776 1068311792 /nfs/dbraw/zinc/31/17/92/1068311792.db2.gz XWGHXWXSTZTQHP-UHFFFAOYSA-N 0 0 455.916 4.631 20 0 JJADRN COCCOCCOc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1Br ZINC001463181379 1068312023 /nfs/dbraw/zinc/31/20/23/1068312023.db2.gz HXEILIDFJWHAAP-UHFFFAOYSA-N 0 0 452.276 4.629 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001463182026 1068312075 /nfs/dbraw/zinc/31/20/75/1068312075.db2.gz LGUXBARNTMOUBQ-LBPRGKRZSA-N 0 0 453.377 4.707 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c(C)c1 ZINC001463182806 1068312263 /nfs/dbraw/zinc/31/22/63/1068312263.db2.gz BYWGXIZLMVSBKP-HSZRJFAPSA-N 0 0 453.560 4.727 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c(C)c1 ZINC001463182809 1068312402 /nfs/dbraw/zinc/31/24/02/1068312402.db2.gz BYWGXIZLMVSBKP-QHCPKHFHSA-N 0 0 453.560 4.727 20 0 JJADRN O=S(=O)(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)c1cn2c(n1)CCCC2 ZINC001463185256 1068313668 /nfs/dbraw/zinc/31/36/68/1068313668.db2.gz LFEXYEBAMHZOGM-UHFFFAOYSA-N 0 0 452.454 4.585 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)S(=O)(=O)C[C@@H]1CCCC(C)(C)O1)CCO2 ZINC001463186776 1068314140 /nfs/dbraw/zinc/31/41/40/1068314140.db2.gz LVXNKGLLSKVBRD-GMAHTHKFSA-N 0 0 459.608 4.699 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC001463192359 1068316123 /nfs/dbraw/zinc/31/61/23/1068316123.db2.gz HCZIGXJJYUOGPU-UHFFFAOYSA-N 0 0 453.185 4.846 20 0 JJADRN O=c1ccc2cc(S(=O)(=O)N(CCSc3ccc(F)cc3)c3ccccc3)ccc2[nH]1 ZINC001463193055 1068316139 /nfs/dbraw/zinc/31/61/39/1068316139.db2.gz JGFJVKVUITYYAQ-UHFFFAOYSA-N 0 0 454.548 4.655 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1c(F)cccc1Br ZINC001463193484 1068316157 /nfs/dbraw/zinc/31/61/57/1068316157.db2.gz KDVSPHKGZRRHPZ-LBPRGKRZSA-N 0 0 454.283 4.907 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)s1 ZINC001463196011 1068317018 /nfs/dbraw/zinc/31/70/18/1068317018.db2.gz BULVFYUAYOPLKY-SCLBCKFNSA-N 0 0 451.386 4.516 20 0 JJADRN Cc1cc([C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)c2ccccc2Cl)ccc1F ZINC001463199106 1068317509 /nfs/dbraw/zinc/31/75/09/1068317509.db2.gz APZPLDPSVARWCD-DEOSSOPVSA-N 0 0 458.986 4.843 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 ZINC001463198022 1068317652 /nfs/dbraw/zinc/31/76/52/1068317652.db2.gz OJEPUKJNJAFEAZ-GFCCVEGCSA-N 0 0 457.148 4.561 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@H]1CCOC12CCCCC2 ZINC001463198552 1068317703 /nfs/dbraw/zinc/31/77/03/1068317703.db2.gz MYQXRCISLCKIID-ZDUSSCGKSA-N 0 0 451.224 4.814 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC001463198879 1068317735 /nfs/dbraw/zinc/31/77/35/1068317735.db2.gz AXKIECVDLPZWBO-CQSZACIVSA-N 0 0 450.638 4.765 20 0 JJADRN COC(=O)c1sccc1S(=O)(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC001463200033 1068318158 /nfs/dbraw/zinc/31/81/58/1068318158.db2.gz BPSBXRCIKQLGRK-SFHVURJKSA-N 0 0 453.944 4.704 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)[C@H](O)c1ccccc1F ZINC001463200864 1068318176 /nfs/dbraw/zinc/31/81/76/1068318176.db2.gz BUQUXZKSAGUCSC-WOJBJXKFSA-N 0 0 452.345 4.532 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)s1 ZINC001463203175 1068318646 /nfs/dbraw/zinc/31/86/46/1068318646.db2.gz GMDJNWZXSADHCF-IBGZPJMESA-N 0 0 453.944 4.704 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)c3cccnc3Oc3ccc(Br)cc3)C2)n1 ZINC001463202195 1068318858 /nfs/dbraw/zinc/31/88/58/1068318858.db2.gz RMOWJECIVGJTNT-ZFWWWQNUSA-N 0 0 457.328 4.648 20 0 JJADRN COC1(CS(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC001463209188 1068320694 /nfs/dbraw/zinc/32/06/94/1068320694.db2.gz ZEXUIQWVQISGMR-UHFFFAOYSA-N 0 0 458.407 4.540 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463209611 1068321458 /nfs/dbraw/zinc/32/14/58/1068321458.db2.gz LMKJHEQDGSJWIJ-UHFFFAOYSA-N 0 0 451.411 4.872 20 0 JJADRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)n1 ZINC001463212765 1068321699 /nfs/dbraw/zinc/32/16/99/1068321699.db2.gz QYIUZXFTPYWDQL-DTWKUNHWSA-N 0 0 450.230 4.619 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)n1 ZINC001463212762 1068321864 /nfs/dbraw/zinc/32/18/64/1068321864.db2.gz QYIUZXFTPYWDQL-BDAKNGLRSA-N 0 0 450.230 4.619 20 0 JJADRN C[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)Oc1cccc(Br)c1 ZINC001463211551 1068321924 /nfs/dbraw/zinc/32/19/24/1068321924.db2.gz BCDHTTWMSQBJDP-LLVKDONJSA-N 0 0 453.185 4.643 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC001463213346 1068322355 /nfs/dbraw/zinc/32/23/55/1068322355.db2.gz BIZCETDWKQSAMA-UHFFFAOYSA-N 0 0 452.345 4.923 20 0 JJADRN CCOC(=O)CCS(=O)(=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc32)cc1 ZINC001463215648 1068322900 /nfs/dbraw/zinc/32/29/00/1068322900.db2.gz UEPYODGGJWLSBT-UHFFFAOYSA-N 0 0 451.953 4.701 20 0 JJADRN CCC1(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(SC)c(OC)c2)CCOCC1 ZINC001546137309 1068323642 /nfs/dbraw/zinc/32/36/42/1068323642.db2.gz NBSXXHFLSXMCFX-UHFFFAOYSA-N 0 0 455.628 4.847 20 0 JJADRN COc1cccc(S(=O)(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1F ZINC001463222656 1068325156 /nfs/dbraw/zinc/32/51/56/1068325156.db2.gz USWXWYIPSAYLRM-NRFANRHFSA-N 0 0 453.507 4.902 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001463223009 1068325386 /nfs/dbraw/zinc/32/53/86/1068325386.db2.gz OSVBBOYCJPRDTP-CQOQZXRMSA-N 0 0 450.648 4.884 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cnn(C3CCCC3)c2)cc1 ZINC001463225721 1068327011 /nfs/dbraw/zinc/32/70/11/1068327011.db2.gz WIJKNAWIGKOPNX-UHFFFAOYSA-N 0 0 459.955 4.696 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463228123 1068327582 /nfs/dbraw/zinc/32/75/82/1068327582.db2.gz ACPKFDMEPSUQQH-FKIZINRSSA-N 0 0 452.345 4.565 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463228147 1068327804 /nfs/dbraw/zinc/32/78/04/1068327804.db2.gz ACPKFDMEPSUQQH-ODXCJYRJSA-N 0 0 452.345 4.565 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)c2ccccc21 ZINC001463229540 1068328223 /nfs/dbraw/zinc/32/82/23/1068328223.db2.gz BXRHIGOHXOHDGV-INIZCTEOSA-N 0 0 457.452 4.978 20 0 JJADRN O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001463228785 1068328387 /nfs/dbraw/zinc/32/83/87/1068328387.db2.gz RYCZTEGRXNQMAO-UHFFFAOYSA-N 0 0 454.419 4.755 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c2ccccc21 ZINC001463229954 1068328871 /nfs/dbraw/zinc/32/88/71/1068328871.db2.gz DRKFEMCHKHTTDD-QGZVFWFLSA-N 0 0 451.498 4.590 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1Cl)N1CCc2c(F)ccc(F)c2C1 ZINC001463232553 1068329195 /nfs/dbraw/zinc/32/91/95/1068329195.db2.gz JZNCSSNDQNEKND-UHFFFAOYSA-N 0 0 457.123 4.781 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1Cl ZINC001463231430 1068329430 /nfs/dbraw/zinc/32/94/30/1068329430.db2.gz VBGCFQOMLXGOLH-KRWDZBQOSA-N 0 0 455.407 4.583 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1 ZINC001463232510 1068329552 /nfs/dbraw/zinc/32/95/52/1068329552.db2.gz XKKHCBWIKYJVSM-OAQYLSRUSA-N 0 0 455.580 4.628 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001463235085 1068330094 /nfs/dbraw/zinc/33/00/94/1068330094.db2.gz FYXQDOKKTSYERB-INIZCTEOSA-N 0 0 458.942 4.857 20 0 JJADRN O=S(=O)(NCCCc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1F ZINC001463235965 1068330288 /nfs/dbraw/zinc/33/02/88/1068330288.db2.gz HQBBNGBXPBBLLD-UHFFFAOYSA-N 0 0 459.139 4.945 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC001463234763 1068330343 /nfs/dbraw/zinc/33/03/43/1068330343.db2.gz URIGJCDBFBDOAL-QINSGFPZSA-N 0 0 455.020 4.752 20 0 JJADRN CC[C@@H](CNS(=O)(=O)Cc1cccc(Cl)c1Br)Oc1cccc(F)c1 ZINC001463237464 1068330953 /nfs/dbraw/zinc/33/09/53/1068330953.db2.gz JXKYPUDHLGRCIQ-AWEZNQCLSA-N 0 0 450.757 4.519 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CC(=O)N(C)c4cc(C(F)(F)F)ccc43)c2)c(C)c1 ZINC001463240487 1068331861 /nfs/dbraw/zinc/33/18/61/1068331861.db2.gz NTDHGHGVIQGFCY-UHFFFAOYSA-N 0 0 455.436 4.708 20 0 JJADRN Cc1cnc(Cl)c(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c1 ZINC001463242661 1068332862 /nfs/dbraw/zinc/33/28/62/1068332862.db2.gz XJQNTTZZLCIBDE-QGZVFWFLSA-N 0 0 455.967 4.564 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463246367 1068333194 /nfs/dbraw/zinc/33/31/94/1068333194.db2.gz BQLDAJIULHXIEO-ISTRZQFTSA-N 0 0 454.352 4.595 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252673 1068335552 /nfs/dbraw/zinc/33/55/52/1068335552.db2.gz PMCIOHKQRZKHSA-RKDXNWHRSA-N 0 0 452.695 4.889 20 0 JJADRN COC(=O)C1CCC(S(=O)(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC001463254777 1068336349 /nfs/dbraw/zinc/33/63/49/1068336349.db2.gz HLTKRAMNVXPJLP-JITJBCMDSA-N 0 0 453.963 4.562 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC001463254419 1068336415 /nfs/dbraw/zinc/33/64/15/1068336415.db2.gz MTFHVPAGJIBWHR-UHFFFAOYSA-N 0 0 455.946 4.933 20 0 JJADRN COc1cccc([C@@H](NS(=O)(=O)c2cc(C)c(OC)cc2C)c2cc(F)ccc2OC)c1 ZINC001463261400 1068337389 /nfs/dbraw/zinc/33/73/89/1068337389.db2.gz DYLILCZUPDHFGT-XMMPIXPASA-N 0 0 459.539 4.536 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC001463262748 1068337626 /nfs/dbraw/zinc/33/76/26/1068337626.db2.gz IRWKFGZOHPEYLV-HSZRJFAPSA-N 0 0 457.983 4.862 20 0 JJADRN CN([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001463263105 1068338085 /nfs/dbraw/zinc/33/80/85/1068338085.db2.gz UDNJDDUSMMGNSE-XMMPIXPASA-N 0 0 458.986 4.877 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC001463263681 1068338211 /nfs/dbraw/zinc/33/82/11/1068338211.db2.gz UQVRGOMIPGPMRU-GOSISDBHSA-N 0 0 456.402 4.922 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC001463263391 1068338248 /nfs/dbraw/zinc/33/82/48/1068338248.db2.gz RIUCERIUIWMQNT-GOSISDBHSA-N 0 0 453.988 4.966 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001463264148 1068338685 /nfs/dbraw/zinc/33/86/85/1068338685.db2.gz OYQNKUCGYGNHMN-GOSISDBHSA-N 0 0 459.852 4.698 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)Cc3ccccc3Br)s2)cc1 ZINC001463264474 1068338991 /nfs/dbraw/zinc/33/89/91/1068338991.db2.gz CEZGCCZMIJLKHE-UHFFFAOYSA-N 0 0 452.395 4.806 20 0 JJADRN CCCCO[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(C)C ZINC001463269343 1068339814 /nfs/dbraw/zinc/33/98/14/1068339814.db2.gz PLPBIGWSSZKTJM-IAGOWNOFSA-N 0 0 452.842 4.848 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc1Cl ZINC001463272149 1068340301 /nfs/dbraw/zinc/34/03/01/1068340301.db2.gz AUIKUWFFMPROQU-UHFFFAOYSA-N 0 0 459.178 4.975 20 0 JJADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccc(OCc3ccc(Cl)cc3)c1)CCS2 ZINC001463274617 1068340812 /nfs/dbraw/zinc/34/08/12/1068340812.db2.gz FEYSXWOBBJNKCH-RKRRMPDFSA-N 0 0 459.995 4.866 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001463286236 1068344652 /nfs/dbraw/zinc/34/46/52/1068344652.db2.gz JHZSHDAKLCJUEG-UHFFFAOYSA-N 0 0 459.818 4.683 20 0 JJADRN Cn1ncc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1C(F)(F)F ZINC001463286245 1068344825 /nfs/dbraw/zinc/34/48/25/1068344825.db2.gz XTBQHJJVLUFZQZ-KRWDZBQOSA-N 0 0 455.889 4.581 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463286443 1068344840 /nfs/dbraw/zinc/34/48/40/1068344840.db2.gz MVXHXAVFMZSPJK-LBPRGKRZSA-N 0 0 455.374 4.892 20 0 JJADRN Cc1nn(CC(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001463288682 1068345959 /nfs/dbraw/zinc/34/59/59/1068345959.db2.gz XQIRDWKVAJCSHG-ZBFHGGJFSA-N 0 0 468.520 4.509 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC001463296136 1068348594 /nfs/dbraw/zinc/34/85/94/1068348594.db2.gz NMVARXSTMJQOSW-QFIPXVFZSA-N 0 0 453.560 4.563 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)c(OC(C)C)c1 ZINC001463296730 1068348731 /nfs/dbraw/zinc/34/87/31/1068348731.db2.gz ZPWRSQLWMWRKEK-UHFFFAOYSA-N 0 0 451.386 4.515 20 0 JJADRN C[C@H]1N(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCOC1(C)C ZINC001463298232 1068349256 /nfs/dbraw/zinc/34/92/56/1068349256.db2.gz VBZJLOYHTSTWOM-CYBMUJFWSA-N 0 0 458.349 4.569 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1nc2ccccc2s1 ZINC001463299070 1068349324 /nfs/dbraw/zinc/34/93/24/1068349324.db2.gz KETQNQDTGHBIEF-JTQLQIEISA-N 0 0 450.891 4.930 20 0 JJADRN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463304893 1068350366 /nfs/dbraw/zinc/35/03/66/1068350366.db2.gz BIHDYYIUMXHCTA-CYBMUJFWSA-N 0 0 456.269 4.734 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cc2)cc1 ZINC001463307599 1068350856 /nfs/dbraw/zinc/35/08/56/1068350856.db2.gz KAZURPRMKFAWIV-IIBYNOLFSA-N 0 0 451.635 4.534 20 0 JJADRN Cc1c(I)cccc1C(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC001463311803 1068352060 /nfs/dbraw/zinc/35/20/60/1068352060.db2.gz YSQNSANTFAYOAL-UHFFFAOYSA-N 0 0 454.739 4.524 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)c3ccc(C)c(NC(=O)Nc4ccccc4)c3)nc21 ZINC001463314162 1068352528 /nfs/dbraw/zinc/35/25/28/1068352528.db2.gz OUTHWBNQJMUBPG-UHFFFAOYSA-N 0 0 457.490 4.944 20 0 JJADRN O=C(NC[C@@H]1CCC=CCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001463313011 1068352738 /nfs/dbraw/zinc/35/27/38/1068352738.db2.gz OLTGGVYNEJEXCE-MRXNPFEDSA-N 0 0 459.439 4.647 20 0 JJADRN CCCc1nc(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)nn1-c1ccccc1F ZINC001463315530 1068353212 /nfs/dbraw/zinc/35/32/12/1068353212.db2.gz DRCMOXSARPDMMA-UHFFFAOYSA-N 0 0 454.933 4.747 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1c(F)cc(Br)cc1F ZINC001463316377 1068353773 /nfs/dbraw/zinc/35/37/73/1068353773.db2.gz CTBDYMOUCRGFNS-UHFFFAOYSA-N 0 0 453.670 4.843 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)c3ccc(Oc4ccccc4)o3)[nH]c2c(Br)c1 ZINC001463316952 1068353981 /nfs/dbraw/zinc/35/39/81/1068353981.db2.gz DQCIMOZXXZQNDY-UHFFFAOYSA-N 0 0 456.252 4.750 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1cccnc1OCC(F)F ZINC001463321207 1068355515 /nfs/dbraw/zinc/35/55/15/1068355515.db2.gz PWANMORPYYYOJT-AWEZNQCLSA-N 0 0 453.536 4.539 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1 ZINC001463323976 1068356650 /nfs/dbraw/zinc/35/66/50/1068356650.db2.gz LNDPMGCDJDTUBI-VWLOTQADSA-N 0 0 453.604 4.965 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)NC2CCC(C)(c3ccccc3)CC2)c1 ZINC001463326670 1068357639 /nfs/dbraw/zinc/35/76/39/1068357639.db2.gz RZVNRTXINBUMGU-UHFFFAOYSA-N 0 0 451.430 4.694 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001463326522 1068357688 /nfs/dbraw/zinc/35/76/88/1068357688.db2.gz LGTNMXROMAUOAF-UHFFFAOYSA-N 0 0 453.539 4.525 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001463328398 1068358001 /nfs/dbraw/zinc/35/80/01/1068358001.db2.gz YRDAUZWKNNCRQS-QGZVFWFLSA-N 0 0 459.011 4.830 20 0 JJADRN COCc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 ZINC001463329154 1068358153 /nfs/dbraw/zinc/35/81/53/1068358153.db2.gz BIMKCJYKJLQNJQ-UHFFFAOYSA-N 0 0 450.482 4.638 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463330960 1068358734 /nfs/dbraw/zinc/35/87/34/1068358734.db2.gz BMQYJSAIKXPURV-UHFFFAOYSA-N 0 0 450.524 4.989 20 0 JJADRN CC(C)(C)OC(=O)N(CCNS(=O)(=O)CCc1ccc(Cl)cc1)C1CCCCCC1 ZINC001463332735 1068359348 /nfs/dbraw/zinc/35/93/48/1068359348.db2.gz CYKVNTXPPXISFG-UHFFFAOYSA-N 0 0 459.052 4.762 20 0 JJADRN CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc2scnc21)C1CCCCCC1 ZINC001463335563 1068359685 /nfs/dbraw/zinc/35/96/85/1068359685.db2.gz JIKRKYAEJQSJMX-UHFFFAOYSA-N 0 0 453.630 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)CC1 ZINC001463336408 1068360994 /nfs/dbraw/zinc/36/09/94/1068360994.db2.gz HNDDFAKQOYJWIP-UHFFFAOYSA-N 0 0 459.587 4.783 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(-c3ccccc3F)nn2)nn1-c1c(Cl)cccc1Cl ZINC001463338444 1068361076 /nfs/dbraw/zinc/36/10/76/1068361076.db2.gz VSTVHRUEJXDNGS-UHFFFAOYSA-N 0 0 457.296 4.985 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463336371 1068361084 /nfs/dbraw/zinc/36/10/84/1068361084.db2.gz PGGASPCCEPOZAK-UHFFFAOYSA-N 0 0 451.324 4.585 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001463339701 1068361635 /nfs/dbraw/zinc/36/16/35/1068361635.db2.gz QEQUOCHZHQHKBZ-UHFFFAOYSA-N 0 0 455.287 4.620 20 0 JJADRN O=C(N(c1ccccc1)c1ccccc1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC001463342014 1068363186 /nfs/dbraw/zinc/36/31/86/1068363186.db2.gz HOHJTWDDCMLTSZ-NRFANRHFSA-N 0 0 450.336 4.880 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCC(C)(c3cccc(Br)c3)CC2)cc1 ZINC001463343615 1068363529 /nfs/dbraw/zinc/36/35/29/1068363529.db2.gz CWQAFFYYMVOYQY-UHFFFAOYSA-N 0 0 452.414 4.979 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)cc1 ZINC001463345208 1068364994 /nfs/dbraw/zinc/36/49/94/1068364994.db2.gz DTFSXDRIUNNZLE-CLOONOSVSA-N 0 0 453.560 4.934 20 0 JJADRN Cc1nc(C(=O)N2CCN(C)c3ccc(Br)cc32)nn1-c1ccccc1C(C)C ZINC001463345513 1068365262 /nfs/dbraw/zinc/36/52/62/1068365262.db2.gz WLAYNGUOZIECBX-UHFFFAOYSA-N 0 0 454.372 4.558 20 0 JJADRN Cc1cc(CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)CCCC3)nc(N2CCCCC2)n1 ZINC001463345811 1068365853 /nfs/dbraw/zinc/36/58/53/1068365853.db2.gz GZQGBZBTBXAGOA-UHFFFAOYSA-N 0 0 456.656 4.501 20 0 JJADRN C[C@@H](Cc1cccnc1)NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001463350649 1068367503 /nfs/dbraw/zinc/36/75/03/1068367503.db2.gz BIPHCMQTQVMHOY-JTQLQIEISA-N 0 0 453.205 4.582 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001463354583 1068368569 /nfs/dbraw/zinc/36/85/69/1068368569.db2.gz HOPGEJZSBNYUFJ-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cc1ccc(OC(F)F)cc1)CC2 ZINC001463354488 1068368636 /nfs/dbraw/zinc/36/86/36/1068368636.db2.gz DYNRWKVLULEPQW-HXUWFJFHSA-N 0 0 452.542 4.715 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)C[C@@H](OC)C2CCCCC2)cc1OC ZINC001463359358 1068370686 /nfs/dbraw/zinc/37/06/86/1068370686.db2.gz TZZFDJJZMPGFJJ-XMMPIXPASA-N 0 0 453.645 4.764 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)Cc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463359983 1068370866 /nfs/dbraw/zinc/37/08/66/1068370866.db2.gz RPUKCSWKYAKAPW-FBQMUFCQSA-N 0 0 457.574 4.630 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)CC3)cc2)c1 ZINC001463360460 1068371180 /nfs/dbraw/zinc/37/11/80/1068371180.db2.gz RDYFZPPMAULGRP-QFIPXVFZSA-N 0 0 452.599 4.678 20 0 JJADRN CSc1ccc(S(=O)(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1Cl ZINC001463360603 1068371421 /nfs/dbraw/zinc/37/14/21/1068371421.db2.gz KIGKLNNKDZTBJD-UHFFFAOYSA-N 0 0 455.816 4.900 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)COc1ccc(F)c(Cl)c1)CC2 ZINC001463362374 1068371811 /nfs/dbraw/zinc/37/18/11/1068371811.db2.gz WTDLVOTVPJDBTF-HXUWFJFHSA-N 0 0 454.970 4.742 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001463364278 1068372431 /nfs/dbraw/zinc/37/24/31/1068372431.db2.gz ZOJNLCAKVHVDPW-SIBVEZHUSA-N 0 0 451.588 4.609 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c1 ZINC001463364272 1068372488 /nfs/dbraw/zinc/37/24/88/1068372488.db2.gz ZOJNLCAKVHVDPW-BCHFMIIMSA-N 0 0 451.588 4.609 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1)C[C@@H](C)C2 ZINC001463364511 1068372853 /nfs/dbraw/zinc/37/28/53/1068372853.db2.gz VRSGCTZESDZMNS-DZGCQCFKSA-N 0 0 457.489 4.788 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N(Cc1cccs1)Cc1ccncc1 ZINC001463364923 1068372947 /nfs/dbraw/zinc/37/29/47/1068372947.db2.gz JHGRLCGHTMHTFI-KRWDZBQOSA-N 0 0 456.365 4.560 20 0 JJADRN CCC[C@@](C)(NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC001463366029 1068373738 /nfs/dbraw/zinc/37/37/38/1068373738.db2.gz CVJUZQGEIOESKJ-HSZRJFAPSA-N 0 0 457.368 4.657 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001463366967 1068373759 /nfs/dbraw/zinc/37/37/59/1068373759.db2.gz FAHXQYUXVNIJNO-RTWAWAEBSA-N 0 0 459.631 4.598 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)c1ccc(Cl)c(I)c1)C2 ZINC001463368111 1068374186 /nfs/dbraw/zinc/37/41/86/1068374186.db2.gz AMRXNNMWNOIZFT-AWEZNQCLSA-N 0 0 455.723 4.631 20 0 JJADRN CCC[C@@](C)(NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001463366458 1068374216 /nfs/dbraw/zinc/37/42/16/1068374216.db2.gz NIJVPELSTSYKKJ-IIBYNOLFSA-N 0 0 452.414 4.691 20 0 JJADRN O=C(c1ccc(F)c(I)c1)N(Cc1cccs1)Cc1ccncc1 ZINC001463369500 1068374755 /nfs/dbraw/zinc/37/47/55/1068374755.db2.gz ZUMNPCKXHIEJFP-UHFFFAOYSA-N 0 0 452.292 4.729 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C2 ZINC001463371041 1068375035 /nfs/dbraw/zinc/37/50/35/1068375035.db2.gz IXZUDHWAFDDQBJ-AOYPEHQESA-N 0 0 456.586 4.929 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001463372799 1068375501 /nfs/dbraw/zinc/37/55/01/1068375501.db2.gz GNUIXEIOYGDUKR-DFBJGRDBSA-N 0 0 473.017 4.721 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001463372917 1068375538 /nfs/dbraw/zinc/37/55/38/1068375538.db2.gz CDEQZFHOEXNXKS-WMZOPIPTSA-N 0 0 451.869 4.775 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001463372912 1068375610 /nfs/dbraw/zinc/37/56/10/1068375610.db2.gz CDEQZFHOEXNXKS-AEFFLSMTSA-N 0 0 451.869 4.775 20 0 JJADRN CCCOc1ccc2c(c1)CCN(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC001463374848 1068376176 /nfs/dbraw/zinc/37/61/76/1068376176.db2.gz MRDSDIMQHYSJAZ-UHFFFAOYSA-N 0 0 458.805 4.779 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2C[C@H](NC(C)=O)Cc3ccccc32)cc1C(C)C ZINC001463374863 1068376228 /nfs/dbraw/zinc/37/62/28/1068376228.db2.gz MRUVWDQAOFIXKA-OAQYLSRUSA-N 0 0 458.624 4.635 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001463374069 1068376272 /nfs/dbraw/zinc/37/62/72/1068376272.db2.gz MTBYTXMZUIPERW-YWZLYKJASA-N 0 0 456.439 4.618 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1Br ZINC001463376002 1068376649 /nfs/dbraw/zinc/37/66/49/1068376649.db2.gz RFSYJTTVUIMRMI-AOMKIAJQSA-N 0 0 467.404 4.756 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001463379627 1068377534 /nfs/dbraw/zinc/37/75/34/1068377534.db2.gz JAVJUJHHMKHXGS-QGZVFWFLSA-N 0 0 457.905 4.772 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)c2ccccc2OC)cc1 ZINC001463380013 1068378082 /nfs/dbraw/zinc/37/80/82/1068378082.db2.gz CTLPRPAYDVLTRN-QYGXFBIXSA-N 0 0 457.514 4.834 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)Cc3ccc(Br)cc3Cl)CCC2)cc1 ZINC001463381616 1068378613 /nfs/dbraw/zinc/37/86/13/1068378613.db2.gz HNTLQKFBJOJJAD-UHFFFAOYSA-N 0 0 458.805 4.652 20 0 JJADRN O=C(/C=C\c1cccc(-c2ccc(Cl)cc2)c1)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC001463381979 1068378696 /nfs/dbraw/zinc/37/86/96/1068378696.db2.gz GMSFRFKQLOSTNX-GHXNOFRVSA-N 0 0 452.982 4.698 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCC1 ZINC001546138660 1068379233 /nfs/dbraw/zinc/37/92/33/1068379233.db2.gz JBFGOAHQJBXIJG-NRFANRHFSA-N 0 0 451.537 4.759 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2cccc3c2OCCO3)c2cccc(Cl)c2)cc1 ZINC001463384559 1068379596 /nfs/dbraw/zinc/37/95/96/1068379596.db2.gz WWECKVYCTVPMOU-QFIPXVFZSA-N 0 0 459.951 4.578 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC001463386660 1068380006 /nfs/dbraw/zinc/38/00/06/1068380006.db2.gz PZCWRBZIUHWDEK-CQSZACIVSA-N 0 0 451.466 4.555 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001463385842 1068380296 /nfs/dbraw/zinc/38/02/96/1068380296.db2.gz AITQRMVDQFWSDO-OXQOHEQNSA-N 0 0 453.988 4.536 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463387517 1068380832 /nfs/dbraw/zinc/38/08/32/1068380832.db2.gz JGMJXLNTBBJDPY-GWCFXTLKSA-N 0 0 450.807 4.944 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@H]2CCSc2ccc(Cl)cc2)nnn1Cc1ccncc1 ZINC001463387173 1068380873 /nfs/dbraw/zinc/38/08/73/1068380873.db2.gz DCGTWMLBKVWHOU-HXUWFJFHSA-N 0 0 456.015 4.860 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC001463389663 1068381947 /nfs/dbraw/zinc/38/19/47/1068381947.db2.gz GAMIQOGFQNPTLX-UHFFFAOYSA-N 0 0 451.544 4.537 20 0 JJADRN O=S(=O)(c1sccc1Br)N1CCCCc2c(Br)cccc21 ZINC001463392463 1068382317 /nfs/dbraw/zinc/38/23/17/1068382317.db2.gz QVDLKYMUHJQFJA-UHFFFAOYSA-N 0 0 451.205 4.805 20 0 JJADRN O=Cc1ccc(OCc2ccccc2)cc1OS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC001463393159 1068382506 /nfs/dbraw/zinc/38/25/06/1068382506.db2.gz FVKSKWGDDVMNRG-UHFFFAOYSA-N 0 0 452.406 4.586 20 0 JJADRN O=S(=O)(Oc1ccccc1-c1nccs1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463395441 1068382942 /nfs/dbraw/zinc/38/29/42/1068382942.db2.gz WOXBBYCCUAVYAA-INIZCTEOSA-N 0 0 450.379 4.839 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463395001 1068383095 /nfs/dbraw/zinc/38/30/95/1068383095.db2.gz CNHCRBBOLZGKCM-FUHWJXTLSA-N 0 0 451.405 4.534 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC001463396149 1068383272 /nfs/dbraw/zinc/38/32/72/1068383272.db2.gz NHGLOALCVGCTBI-URXFXBBRSA-N 0 0 453.560 4.632 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)c(OC)c1 ZINC001463399590 1068384253 /nfs/dbraw/zinc/38/42/53/1068384253.db2.gz MBQBRDDKLPXPEU-QVKFZJNVSA-N 0 0 458.530 4.695 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c(OC)c1 ZINC001463399005 1068384367 /nfs/dbraw/zinc/38/43/67/1068384367.db2.gz JZCJPABNWSXLSJ-KKLQWCBXSA-N 0 0 468.594 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNS(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463399199 1068384424 /nfs/dbraw/zinc/38/44/24/1068384424.db2.gz ZPDBHOUNYLXSRA-HXUWFJFHSA-N 0 0 459.033 4.870 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001463399792 1068384527 /nfs/dbraw/zinc/38/45/27/1068384527.db2.gz WJMXTSPPOKHNEM-CQSZACIVSA-N 0 0 453.402 4.815 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402028 1068385245 /nfs/dbraw/zinc/38/52/45/1068385245.db2.gz XGZNQANJQSFCAL-GBXCKJPGSA-N 0 0 453.535 4.752 20 0 JJADRN O=S(=O)(Oc1c(F)cc(F)cc1Br)c1cc(Cl)ccc1OCC1CC1 ZINC001463401996 1068385577 /nfs/dbraw/zinc/38/55/77/1068385577.db2.gz URWJJDUMKBIPTN-UHFFFAOYSA-N 0 0 453.688 4.937 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1cccc(-n2cccn2)c1)C(F)(F)F ZINC001463404841 1068385799 /nfs/dbraw/zinc/38/57/99/1068385799.db2.gz USYOMJOELBFJEL-OAQYLSRUSA-N 0 0 453.468 4.751 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463404482 1068385880 /nfs/dbraw/zinc/38/58/80/1068385880.db2.gz YDZUMUFWSIHECE-AWEZNQCLSA-N 0 0 455.502 4.753 20 0 JJADRN CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@H]3C)cc2C[C@H]1C ZINC001463407621 1068386461 /nfs/dbraw/zinc/38/64/61/1068386461.db2.gz YKTNKZNGZZKVFN-CHWSQXEVSA-N 0 0 453.391 4.599 20 0 JJADRN O=S(=O)(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2nccc(Cl)c21 ZINC001463408021 1068387105 /nfs/dbraw/zinc/38/71/05/1068387105.db2.gz AHJLLLWRVYPDMB-ZDUSSCGKSA-N 0 0 457.783 4.817 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC001463408685 1068387145 /nfs/dbraw/zinc/38/71/45/1068387145.db2.gz GGSZMDVDVBHNBK-DKUDOZJNSA-N 0 0 457.979 4.885 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC001546138828 1068387223 /nfs/dbraw/zinc/38/72/23/1068387223.db2.gz OVUCWQIQNMEPED-UHFFFAOYSA-N 0 0 488.405 4.739 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(Br)c1 ZINC001463409396 1068387485 /nfs/dbraw/zinc/38/74/85/1068387485.db2.gz JDJYMUYDSXXZMM-SECBINFHSA-N 0 0 456.255 4.655 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)ccn2)C1 ZINC001463410130 1068388143 /nfs/dbraw/zinc/38/81/43/1068388143.db2.gz FCYYSMUEHMYOPM-IBVKSMDESA-N 0 0 456.631 4.714 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)cc12 ZINC001463410459 1068388158 /nfs/dbraw/zinc/38/81/58/1068388158.db2.gz JYQVWROREOYWGC-SFHVURJKSA-N 0 0 459.358 4.659 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC(F)F ZINC001463412687 1068389217 /nfs/dbraw/zinc/38/92/17/1068389217.db2.gz QTTOFSPQUDQVKU-HSZRJFAPSA-N 0 0 454.514 4.692 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463412261 1068389282 /nfs/dbraw/zinc/38/92/82/1068389282.db2.gz OXJBMJKHFBALJL-QRQCRPRQSA-N 0 0 453.988 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)C(C)(C)COCc2ccccc2)n1 ZINC001463412996 1068389717 /nfs/dbraw/zinc/38/97/17/1068389717.db2.gz IGLKOEXDOKSWNT-IBGZPJMESA-N 0 0 454.571 4.730 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)CSc2ccc3c(c2)CCC3)n1 ZINC001463414344 1068390051 /nfs/dbraw/zinc/39/00/51/1068390051.db2.gz JAGGRTPCVAJBTC-LJQANCHMSA-N 0 0 454.596 4.768 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)cn2)cc1OC ZINC001463414465 1068390238 /nfs/dbraw/zinc/39/02/38/1068390238.db2.gz JZYZTLYLHZBOSY-UHFFFAOYSA-N 0 0 453.848 4.811 20 0 JJADRN O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCc2cc(Br)cc(F)c2C1 ZINC001463414224 1068390299 /nfs/dbraw/zinc/39/02/99/1068390299.db2.gz UTXOGKWCRPQPDU-UHFFFAOYSA-N 0 0 459.189 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)CSc2ccc3c(c2)CCC3)n1 ZINC001463414341 1068390372 /nfs/dbraw/zinc/39/03/72/1068390372.db2.gz JAGGRTPCVAJBTC-IBGZPJMESA-N 0 0 454.596 4.768 20 0 JJADRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC001463417257 1068391036 /nfs/dbraw/zinc/39/10/36/1068391036.db2.gz HPMXNSZVUWGWOX-UHFFFAOYSA-N 0 0 454.404 4.624 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC001463417346 1068391073 /nfs/dbraw/zinc/39/10/73/1068391073.db2.gz SBWQDOVQVCZXEF-IBGZPJMESA-N 0 0 454.571 4.864 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC001463419427 1068391637 /nfs/dbraw/zinc/39/16/37/1068391637.db2.gz BOCYPUADZVLVCS-BEFAXECRSA-N 0 0 452.473 4.643 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)CC3 ZINC001463419555 1068391653 /nfs/dbraw/zinc/39/16/53/1068391653.db2.gz SVICXZQACQABBF-SNVBAGLBSA-N 0 0 459.818 4.790 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC001463419432 1068391688 /nfs/dbraw/zinc/39/16/88/1068391688.db2.gz BOCYPUADZVLVCS-DNVCBOLYSA-N 0 0 452.473 4.643 20 0 JJADRN CCCCn1cc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c(C)n1 ZINC001463417975 1068391819 /nfs/dbraw/zinc/39/18/19/1068391819.db2.gz JAHOTYZOHZWZCR-UHFFFAOYSA-N 0 0 455.205 4.539 20 0 JJADRN Cc1c(C(=O)NCc2cccc(OC(F)(F)F)c2)cnn1-c1cccc(Br)c1 ZINC001463418029 1068391837 /nfs/dbraw/zinc/39/18/37/1068391837.db2.gz MSDZTSOFEHGGEI-UHFFFAOYSA-N 0 0 454.246 4.772 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1OCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001463420474 1068391857 /nfs/dbraw/zinc/39/18/57/1068391857.db2.gz BJNLMSNSXUNTDP-MOPGFXCFSA-N 0 0 450.457 4.659 20 0 JJADRN CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463421818 1068392146 /nfs/dbraw/zinc/39/21/46/1068392146.db2.gz KPTVBALLIJOCTB-UHFFFAOYSA-N 0 0 456.711 4.985 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001463427686 1068393579 /nfs/dbraw/zinc/39/35/79/1068393579.db2.gz YUSDZIDPAFZEIO-INIZCTEOSA-N 0 0 455.580 4.956 20 0 JJADRN C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001463428081 1068393995 /nfs/dbraw/zinc/39/39/95/1068393995.db2.gz ZYULAUZMGIJRSC-CQSZACIVSA-N 0 0 459.543 4.787 20 0 JJADRN CN([C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001463428763 1068394414 /nfs/dbraw/zinc/39/44/14/1068394414.db2.gz DLLMBJQKGRWXRL-RBUKOAKNSA-N 0 0 451.466 4.769 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cncc(C(F)(F)F)c3)nc2n1 ZINC001463433455 1068395413 /nfs/dbraw/zinc/39/54/13/1068395413.db2.gz PYJOHHQHWSVQBN-UHFFFAOYSA-N 0 0 458.469 4.700 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H](C)c3cc(Cl)ccc3F)cc2c1C ZINC001463434109 1068396002 /nfs/dbraw/zinc/39/60/02/1068396002.db2.gz KOFACQDJWYWRIB-LLVKDONJSA-N 0 0 456.948 4.613 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2ccc(Br)cc2Cl)CC[C@H](C)c2ccccc21 ZINC001463433870 1068396360 /nfs/dbraw/zinc/39/63/60/1068396360.db2.gz CYYVGBNHXLLCPL-ZSEKCTLFSA-N 0 0 450.760 4.727 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2c(Cl)cccc2Br)CC[C@H](C)c2ccccc21 ZINC001463435986 1068396966 /nfs/dbraw/zinc/39/69/66/1068396966.db2.gz DRVYBTVBDHBCML-ZSEKCTLFSA-N 0 0 450.760 4.727 20 0 JJADRN COC(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001463436293 1068397386 /nfs/dbraw/zinc/39/73/86/1068397386.db2.gz XVWBLEHHMYFIQT-LPHOPBHVSA-N 0 0 455.498 4.887 20 0 JJADRN C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463438010 1068397799 /nfs/dbraw/zinc/39/77/99/1068397799.db2.gz OVGFRVAZWGEPOJ-OAHLLOKOSA-N 0 0 454.976 4.714 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)c1 ZINC001463441754 1068398148 /nfs/dbraw/zinc/39/81/48/1068398148.db2.gz DDKKZYVKUSHPNM-UHFFFAOYSA-N 0 0 451.032 4.562 20 0 JJADRN CCOC(=O)c1csc(N2CCN(C(=O)CCCCc3ccc(C(C)(C)C)cc3)CC2)n1 ZINC001463439633 1068398375 /nfs/dbraw/zinc/39/83/75/1068398375.db2.gz OFOUXWCOBGBAAY-UHFFFAOYSA-N 0 0 457.640 4.679 20 0 JJADRN O=C(Nc1ncc(Oc2ccccc2)cn1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001463443440 1068398658 /nfs/dbraw/zinc/39/86/58/1068398658.db2.gz YFFSUQBBAIZUMZ-UHFFFAOYSA-N 0 0 456.325 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC001463443885 1068398733 /nfs/dbraw/zinc/39/87/33/1068398733.db2.gz YEGBCFOQKXQQBZ-AWEZNQCLSA-N 0 0 451.361 4.962 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC[C@H](C)c2ccccc21 ZINC001463446532 1068399838 /nfs/dbraw/zinc/39/98/38/1068399838.db2.gz MLNGRMBUJUXPHJ-WNSKOXEYSA-N 0 0 457.452 4.587 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)N3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)c2)n1 ZINC001463449151 1068400288 /nfs/dbraw/zinc/40/02/88/1068400288.db2.gz CXWFWWZVHPTLLZ-OAQYLSRUSA-N 0 0 452.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)COc1ccccc1C(F)(F)F)CCOC2 ZINC001463449123 1068400354 /nfs/dbraw/zinc/40/03/54/1068400354.db2.gz BYRFBIBZCAKCOA-UHFFFAOYSA-N 0 0 457.470 4.812 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc(C)c(I)c1 ZINC001463448547 1068400408 /nfs/dbraw/zinc/40/04/08/1068400408.db2.gz IILZHKGNSRDSDW-LBPRGKRZSA-N 0 0 454.377 4.843 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC001463453228 1068401707 /nfs/dbraw/zinc/40/17/07/1068401707.db2.gz NMGVWVDBKCMLNP-GFCCVEGCSA-N 0 0 453.402 4.710 20 0 JJADRN Cc1sc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)nc1Br ZINC001463452419 1068402108 /nfs/dbraw/zinc/40/21/08/1068402108.db2.gz ITXYVSUQZQGLQG-UHFFFAOYSA-N 0 0 456.163 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3cccc(C(F)(F)F)c3F)n2)C1 ZINC001463454319 1068403412 /nfs/dbraw/zinc/40/34/12/1068403412.db2.gz QFBQAFGXIIOUMY-LBPRGKRZSA-N 0 0 454.424 4.611 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2ccc(Br)c(Cl)c2)CC[C@@H](C)c2ccccc21 ZINC001463454309 1068403425 /nfs/dbraw/zinc/40/34/25/1068403425.db2.gz UAMXACCQHJOZSV-ASSNKEHSSA-N 0 0 450.760 4.727 20 0 JJADRN O=C(C[C@H]1CCCN1S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1cccs1 ZINC001463454213 1068403442 /nfs/dbraw/zinc/40/34/42/1068403442.db2.gz PORPJCAIAKZDRB-MRXNPFEDSA-N 0 0 453.532 4.704 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)cc1Cl ZINC001463454915 1068403541 /nfs/dbraw/zinc/40/35/41/1068403541.db2.gz UDZMXAIJQJUDQE-VIFPVBQESA-N 0 0 453.294 4.593 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC001463454733 1068404329 /nfs/dbraw/zinc/40/43/29/1068404329.db2.gz RULOBUWTPVGZJW-BFUOFWGJSA-N 0 0 454.061 4.786 20 0 JJADRN COc1cccc2cc(C(=O)N(CC(F)(F)F)C3CCN(C(=O)OC(C)(C)C)CC3)oc21 ZINC001463454823 1068404341 /nfs/dbraw/zinc/40/43/41/1068404341.db2.gz WYMWSSUGYIOADH-UHFFFAOYSA-N 0 0 456.461 4.845 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N(CC)Cc3nc4c(s3)C[C@@H](C)CC4)n2)cc1 ZINC001463456800 1068405913 /nfs/dbraw/zinc/40/59/13/1068405913.db2.gz WFDFFSTZODSHGT-INIZCTEOSA-N 0 0 454.596 4.698 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1Cl ZINC001463459301 1068406845 /nfs/dbraw/zinc/40/68/45/1068406845.db2.gz IWZMVMNZBWCLAY-CQSZACIVSA-N 0 0 454.379 4.513 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001463461403 1068407657 /nfs/dbraw/zinc/40/76/57/1068407657.db2.gz QWQZNIBFDZIBLC-NSHDSACASA-N 0 0 452.292 4.679 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)Oc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC001463463928 1068408248 /nfs/dbraw/zinc/40/82/48/1068408248.db2.gz ZIJNBMLRXOAKMN-TZIWHRDSSA-N 0 0 457.573 4.918 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cc(Br)cnc1Br ZINC001463464035 1068408382 /nfs/dbraw/zinc/40/83/82/1068408382.db2.gz ZZMGGSXCKWRIDP-AWEZNQCLSA-N 0 0 456.182 4.704 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCCC[C@@]12CCCOC2 ZINC001463463587 1068408459 /nfs/dbraw/zinc/40/84/59/1068408459.db2.gz VXXRUXBZRXKHGY-UWJYYQICSA-N 0 0 455.380 4.812 20 0 JJADRN C[C@@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC001463464373 1068409038 /nfs/dbraw/zinc/40/90/38/1068409038.db2.gz APXUVSQVLHFIMD-IBGZPJMESA-N 0 0 451.411 4.845 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)c(=O)oc2c1 ZINC001463464182 1068409277 /nfs/dbraw/zinc/40/92/77/1068409277.db2.gz AGZVWCSXRZSVKZ-QFIPXVFZSA-N 0 0 455.558 4.791 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1C(C)C ZINC001463466556 1068410777 /nfs/dbraw/zinc/41/07/77/1068410777.db2.gz NEVKMEJTLZFOPC-HXUWFJFHSA-N 0 0 451.551 4.703 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C[C@@H]1NC(=O)C(F)(F)F ZINC001463469462 1068411598 /nfs/dbraw/zinc/41/15/98/1068411598.db2.gz RAAQZZKPOYINFR-SZNDQCEHSA-N 0 0 459.443 4.570 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC001463470187 1068412307 /nfs/dbraw/zinc/41/23/07/1068412307.db2.gz KTFAVJYLOAKIET-ZDUSSCGKSA-N 0 0 451.869 4.978 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc(Cl)c2O1 ZINC001463470542 1068412352 /nfs/dbraw/zinc/41/23/52/1068412352.db2.gz LOEQABUHJFTMIJ-LSDHHAIUSA-N 0 0 456.391 4.797 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001463470186 1068412360 /nfs/dbraw/zinc/41/23/60/1068412360.db2.gz KTFAVJYLOAKIET-CYBMUJFWSA-N 0 0 451.869 4.978 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)nnc1-c1cccc(C)c1 ZINC001463472038 1068413061 /nfs/dbraw/zinc/41/30/61/1068413061.db2.gz LXCLYOGUYCJSNE-FQEVSTJZSA-N 0 0 452.628 4.849 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463477156 1068414296 /nfs/dbraw/zinc/41/42/96/1068414296.db2.gz QOLVVNFGPHEOON-SCWSEQNSSA-N 0 0 465.377 4.545 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)NC2(Cc3ccccc3)CCCC2)C1)OCc1ccccc1 ZINC001463487103 1068417223 /nfs/dbraw/zinc/41/72/23/1068417223.db2.gz GIAFDGQYEAENER-RPWUZVMVSA-N 0 0 470.635 4.556 20 0 JJADRN COc1cc(CNC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)cc(Cl)c1OC ZINC001463494828 1068418403 /nfs/dbraw/zinc/41/84/03/1068418403.db2.gz CWGGYSMFAAIWBZ-FQEVSTJZSA-N 0 0 455.357 4.993 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)C(F)(F)F)c1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001463499026 1068419806 /nfs/dbraw/zinc/41/98/06/1068419806.db2.gz AIUCBUKHKUVOMZ-UHFFFAOYSA-N 0 0 457.489 4.929 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3CCc4cc(Br)ccc4C3)ccc2nc1Cl ZINC001463502501 1068421149 /nfs/dbraw/zinc/42/11/49/1068421149.db2.gz GBVYVBVQQFJHNT-UHFFFAOYSA-N 0 0 451.773 4.706 20 0 JJADRN C[C@H]1COc2ccccc2CN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463501709 1068421225 /nfs/dbraw/zinc/42/12/25/1068421225.db2.gz FONGRHDTDMYINV-ZDUSSCGKSA-N 0 0 454.495 4.801 20 0 JJADRN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC001463505763 1068421826 /nfs/dbraw/zinc/42/18/26/1068421826.db2.gz OHBSKVXHRRLECL-OAHLLOKOSA-N 0 0 455.433 4.599 20 0 JJADRN O=S(=O)(N[C@H](CCO)c1ccccc1Br)c1ccc(Cl)c2ccccc21 ZINC001463505416 1068421942 /nfs/dbraw/zinc/42/19/42/1068421942.db2.gz LYPQIRJXPGZFAW-GOSISDBHSA-N 0 0 454.773 4.658 20 0 JJADRN O=C1CCCc2cc(S(=O)(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)ccc21 ZINC001463506760 1068422609 /nfs/dbraw/zinc/42/26/09/1068422609.db2.gz VADIVCQPDPIXHC-KRWDZBQOSA-N 0 0 451.388 4.806 20 0 JJADRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 ZINC001463508411 1068423283 /nfs/dbraw/zinc/42/32/83/1068423283.db2.gz HQBKOZVZVBQVLB-HXUWFJFHSA-N 0 0 453.988 4.900 20 0 JJADRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 ZINC001463508407 1068423323 /nfs/dbraw/zinc/42/33/23/1068423323.db2.gz HQBKOZVZVBQVLB-FQEVSTJZSA-N 0 0 453.988 4.900 20 0 JJADRN CCc1ccc([C@H]2CN(S(=O)(=O)Cc3cccc(Cl)c3Br)CCO2)cc1 ZINC001463513199 1068424561 /nfs/dbraw/zinc/42/45/61/1068424561.db2.gz OFNTXRQTFXYZCA-GOSISDBHSA-N 0 0 458.805 4.568 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC001463516709 1068425842 /nfs/dbraw/zinc/42/58/42/1068425842.db2.gz WIANXNFWJOXLGD-UHFFFAOYSA-N 0 0 459.820 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ccc(OC(F)F)c(Br)c3)CCC[C@@H]12 ZINC001463515532 1068425917 /nfs/dbraw/zinc/42/59/17/1068425917.db2.gz UPIRBPHAKWXHQK-QRWLVFNGSA-N 0 0 475.330 4.712 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001463520826 1068426719 /nfs/dbraw/zinc/42/67/19/1068426719.db2.gz JIWIXXQLOOJXGC-QGZVFWFLSA-N 0 0 453.514 4.505 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2OC)c2ccccc12 ZINC001463522696 1068427381 /nfs/dbraw/zinc/42/73/81/1068427381.db2.gz ASYABEMTDKXJOQ-ZDUSSCGKSA-N 0 0 450.354 4.659 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c(Cl)c1Cl ZINC001463522738 1068427466 /nfs/dbraw/zinc/42/74/66/1068427466.db2.gz AVMBDIYJMIVADO-IAQYHMDHSA-N 0 0 450.771 4.806 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c(Cl)c1Cl ZINC001463522750 1068427482 /nfs/dbraw/zinc/42/74/82/1068427482.db2.gz AVMBDIYJMIVADO-NHYWBVRUSA-N 0 0 450.771 4.806 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2C)cc1Br ZINC001463524973 1068427986 /nfs/dbraw/zinc/42/79/86/1068427986.db2.gz BUBANEPEGPYTCY-UHFFFAOYSA-N 0 0 452.292 4.654 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC001463524323 1068428070 /nfs/dbraw/zinc/42/80/70/1068428070.db2.gz FWHKZKNYLWDIFL-DJJJIMSYSA-N 0 0 458.805 4.703 20 0 JJADRN CC(C)C[C@@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc(Cl)cc1 ZINC001463528268 1068428705 /nfs/dbraw/zinc/42/87/05/1068428705.db2.gz LLNZERVJCZUGJJ-YLJYHZDGSA-N 0 0 455.986 4.692 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC001463532950 1068430836 /nfs/dbraw/zinc/43/08/36/1068430836.db2.gz OHYXTRDVHXRZCM-NSHDSACASA-N 0 0 452.292 4.559 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c2cccc(F)c2O1 ZINC001463535444 1068431432 /nfs/dbraw/zinc/43/14/32/1068431432.db2.gz JEYUMAYNDRVAQK-MRVPVSSYSA-N 0 0 455.132 4.871 20 0 JJADRN CC(C)(C)c1ccccc1S(=O)(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001463536125 1068432118 /nfs/dbraw/zinc/43/21/18/1068432118.db2.gz KVZPJIYQUSEGLH-JOCHJYFZSA-N 0 0 451.588 4.790 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463535600 1068432156 /nfs/dbraw/zinc/43/21/56/1068432156.db2.gz KFVCEWZYBLYBED-WPRPVWTQSA-N 0 0 454.230 4.819 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001463537757 1068433048 /nfs/dbraw/zinc/43/30/48/1068433048.db2.gz CAYDMYWLYJNEDK-UHFFFAOYSA-N 0 0 453.315 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)cn2)C1 ZINC001463540178 1068434583 /nfs/dbraw/zinc/43/45/83/1068434583.db2.gz MHTMEZHKCUVEHA-QFIPXVFZSA-N 0 0 453.587 4.698 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC001463542711 1068435260 /nfs/dbraw/zinc/43/52/60/1068435260.db2.gz JOOSPHTVOQJBHK-FYYLOGMGSA-N 0 0 450.579 4.763 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1C ZINC001463543916 1068435926 /nfs/dbraw/zinc/43/59/26/1068435926.db2.gz VTSNERUPIYVVFJ-LJQANCHMSA-N 0 0 456.377 4.584 20 0 JJADRN O=C(OCc1ccccc1)[C@@H](CNS(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC001463543938 1068435967 /nfs/dbraw/zinc/43/59/67/1068435967.db2.gz TUWKGKNDPBTCOB-BQXQKYNTSA-N 0 0 455.963 4.757 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1NC(=O)c1ccccn1 ZINC001463544047 1068435986 /nfs/dbraw/zinc/43/59/86/1068435986.db2.gz JQAQNSZKAJWCPW-MSOLQXFVSA-N 0 0 459.612 4.616 20 0 JJADRN COc1c(C)cc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1C ZINC001463543118 1068436008 /nfs/dbraw/zinc/43/60/08/1068436008.db2.gz URIYMUYMQRIBRE-IBGZPJMESA-N 0 0 452.414 4.764 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C(F)(F)F ZINC001463545607 1068436645 /nfs/dbraw/zinc/43/66/45/1068436645.db2.gz ZDPSEOHVAPXHPA-DLBZAZTESA-N 0 0 454.297 4.599 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)c2cc(I)c(Cl)cc2Cl)no1 ZINC001463545352 1068436678 /nfs/dbraw/zinc/43/66/78/1068436678.db2.gz JEOOKLIBWSYDGY-CQSZACIVSA-N 0 0 451.091 4.872 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc4ccccc4c3)cc2)C1 ZINC001463545801 1068437433 /nfs/dbraw/zinc/43/74/33/1068437433.db2.gz RZFNELOFZJCJSF-WOJBJXKFSA-N 0 0 450.604 4.779 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)c(C)c1 ZINC001463549898 1068438073 /nfs/dbraw/zinc/43/80/73/1068438073.db2.gz AWUGJWMTZOCSHD-UHFFFAOYSA-N 0 0 455.248 4.823 20 0 JJADRN CC(C)(CC1CCCCCC1)NS(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001463548379 1068438091 /nfs/dbraw/zinc/43/80/91/1068438091.db2.gz SWQXJKPBCWYPFP-JOCHJYFZSA-N 0 0 450.645 4.846 20 0 JJADRN C[C@@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1ccc(Br)cc1 ZINC001463551133 1068438747 /nfs/dbraw/zinc/43/87/47/1068438747.db2.gz VVEHGLQAXJNSSV-SNVBAGLBSA-N 0 0 450.130 4.544 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001463551064 1068438972 /nfs/dbraw/zinc/43/89/72/1068438972.db2.gz UTZQOTHPCLUENN-DNVCBOLYSA-N 0 0 459.612 4.763 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c(F)c1F ZINC001463551927 1068438979 /nfs/dbraw/zinc/43/89/79/1068438979.db2.gz KUDHYEJBGOPMQY-UHFFFAOYSA-N 0 0 451.535 4.797 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(S(=O)(=O)c2cccc3ncccc32)CC1 ZINC001463554711 1068439482 /nfs/dbraw/zinc/43/94/82/1068439482.db2.gz XGRWNELSHHIMND-UHFFFAOYSA-N 0 0 452.576 4.758 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001463559745 1068442564 /nfs/dbraw/zinc/44/25/64/1068442564.db2.gz MADNTMLUQNIFJV-QGZVFWFLSA-N 0 0 456.530 4.832 20 0 JJADRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC001463560222 1068443567 /nfs/dbraw/zinc/44/35/67/1068443567.db2.gz JYKGUGUMYYUFJJ-FQEVSTJZSA-N 0 0 453.999 4.541 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC001463562447 1068444307 /nfs/dbraw/zinc/44/43/07/1068444307.db2.gz SBLFHMGRFWTLDQ-FQEVSTJZSA-N 0 0 453.999 4.866 20 0 JJADRN CC[C@@H](CN(CC)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)c1ccccc1 ZINC001463562177 1068444370 /nfs/dbraw/zinc/44/43/70/1068444370.db2.gz SGKUNGPHFGMZHO-INIZCTEOSA-N 0 0 453.402 4.612 20 0 JJADRN CC1(C)CCC[C@@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)O1 ZINC001463563557 1068444900 /nfs/dbraw/zinc/44/49/00/1068444900.db2.gz JQNUKAPQGHXDMF-LSDHHAIUSA-N 0 0 458.340 4.710 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463564078 1068445921 /nfs/dbraw/zinc/44/59/21/1068445921.db2.gz LAJMJHFXHGRTLG-IBGZPJMESA-N 0 0 456.951 4.823 20 0 JJADRN Cc1ccc(NC(=O)COC2CCC(C)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463564889 1068446468 /nfs/dbraw/zinc/44/64/68/1068446468.db2.gz PCMCEWCGCUUCNW-UHFFFAOYSA-N 0 0 450.988 4.983 20 0 JJADRN Cc1ccc(NC(=O)c2c(F)nccc2Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463565444 1068446578 /nfs/dbraw/zinc/44/65/78/1068446578.db2.gz RVFDYFQODAJGHD-UHFFFAOYSA-N 0 0 454.310 4.889 20 0 JJADRN Cc1ccc(NC(=O)c2c(F)ccnc2Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463565586 1068446639 /nfs/dbraw/zinc/44/66/39/1068446639.db2.gz VGFZCEZPHBAIFS-UHFFFAOYSA-N 0 0 454.310 4.889 20 0 JJADRN Cc1ccc(NC(=O)c2c3ccccc3nn2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566143 1068447512 /nfs/dbraw/zinc/44/75/12/1068447512.db2.gz WYHCKWDLNNVZQE-UHFFFAOYSA-N 0 0 454.939 4.588 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001463567615 1068448107 /nfs/dbraw/zinc/44/81/07/1068448107.db2.gz ZTHRHADADIUKBM-VIFPVBQESA-N 0 0 456.269 4.838 20 0 JJADRN COc1cccc(S(=O)(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1F ZINC001463566857 1068448177 /nfs/dbraw/zinc/44/81/77/1068448177.db2.gz DBKBXRMKBAFYAP-QGZVFWFLSA-N 0 0 450.532 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC001463569215 1068449695 /nfs/dbraw/zinc/44/96/95/1068449695.db2.gz YWKLCMFKQOITLF-QHCPKHFHSA-N 0 0 452.595 4.741 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463568987 1068449726 /nfs/dbraw/zinc/44/97/26/1068449726.db2.gz XIHLMYLLBXFDOR-UHFFFAOYSA-N 0 0 457.290 4.586 20 0 JJADRN CCOc1ccc(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)cc1S(=O)(=O)N(CC)CC ZINC001463569985 1068450458 /nfs/dbraw/zinc/45/04/58/1068450458.db2.gz UNNXQIXVXQTKKO-UHFFFAOYSA-N 0 0 457.596 4.973 20 0 JJADRN CC(C)C[C@@H]1OCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463572105 1068451096 /nfs/dbraw/zinc/45/10/96/1068451096.db2.gz AMVCXRKOKMRBDE-SFTDATJTSA-N 0 0 452.414 4.988 20 0 JJADRN CC(C)C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463572102 1068451155 /nfs/dbraw/zinc/45/11/55/1068451155.db2.gz AMVCXRKOKMRBDE-RTWAWAEBSA-N 0 0 452.414 4.988 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001463575978 1068452427 /nfs/dbraw/zinc/45/24/27/1068452427.db2.gz VTSUNBPAKDECOD-ATZDWAIDSA-N 0 0 452.979 4.790 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)c(C)cc1F ZINC001463576082 1068452438 /nfs/dbraw/zinc/45/24/38/1068452438.db2.gz YRTHOMCRUINKIC-UHFFFAOYSA-N 0 0 457.926 4.504 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001463575986 1068452517 /nfs/dbraw/zinc/45/25/17/1068452517.db2.gz VTSUNBPAKDECOD-LZQZEXGQSA-N 0 0 452.979 4.790 20 0 JJADRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC001463576354 1068452578 /nfs/dbraw/zinc/45/25/78/1068452578.db2.gz FETIPEBUVZQLAV-HNNXBMFYSA-N 0 0 458.502 4.532 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC001463579525 1068453656 /nfs/dbraw/zinc/45/36/56/1068453656.db2.gz MSXZSFNABMNPSA-WOJBJXKFSA-N 0 0 452.389 4.828 20 0 JJADRN CC1(c2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)cc2)OCCO1 ZINC001463579158 1068453677 /nfs/dbraw/zinc/45/36/77/1068453677.db2.gz VGKUUCBYZFWEBS-HXUWFJFHSA-N 0 0 455.498 4.841 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1N ZINC001463580987 1068454511 /nfs/dbraw/zinc/45/45/11/1068454511.db2.gz XRYNDPLUFNSOQA-UHFFFAOYSA-N 0 0 455.546 4.540 20 0 JJADRN CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463582341 1068455340 /nfs/dbraw/zinc/45/53/40/1068455340.db2.gz MWHVTVIEZUNPRG-ICSRJNTNSA-N 0 0 451.386 4.871 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccoc1Cl ZINC001463583446 1068456266 /nfs/dbraw/zinc/45/62/66/1068456266.db2.gz RMWFFNZLJGXOSW-UHFFFAOYSA-N 0 0 455.717 4.749 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)C(C)(C)C(C)(F)F)c2)cc1 ZINC001463583950 1068456291 /nfs/dbraw/zinc/45/62/91/1068456291.db2.gz UFVLFFHPOPSAKP-UHFFFAOYSA-N 0 0 456.511 4.515 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1Cl ZINC001463587866 1068458188 /nfs/dbraw/zinc/45/81/88/1068458188.db2.gz ADZKIMRDLIWBPP-IBGZPJMESA-N 0 0 451.416 4.536 20 0 JJADRN COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)cc1 ZINC001463589825 1068458964 /nfs/dbraw/zinc/45/89/64/1068458964.db2.gz OMGAGFWZNSFHGO-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001463599533 1068460944 /nfs/dbraw/zinc/46/09/44/1068460944.db2.gz RRXKDTIYXBUFQN-IBGZPJMESA-N 0 0 454.633 4.571 20 0 JJADRN CC(C)CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC(C)(C)C ZINC001463598176 1068461007 /nfs/dbraw/zinc/46/10/07/1068461007.db2.gz WGTACOLBYNWIMN-MHECFPHRSA-N 0 0 452.595 4.870 20 0 JJADRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c1 ZINC001463603499 1068461854 /nfs/dbraw/zinc/46/18/54/1068461854.db2.gz KUZZUYIEQMNCIQ-CQSZACIVSA-N 0 0 459.486 4.592 20 0 JJADRN O=C(c1ccc(Br)cc1Cl)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463604387 1068462476 /nfs/dbraw/zinc/46/24/76/1068462476.db2.gz QSYRLLNDSKQVMH-UHFFFAOYSA-N 0 0 458.183 4.593 20 0 JJADRN O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc(Cl)cc(Br)c1 ZINC001463618431 1068468613 /nfs/dbraw/zinc/46/86/13/1068468613.db2.gz PDXFDZOMKHPJAL-KGLIPLIRSA-N 0 0 452.704 4.538 20 0 JJADRN CCc1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(C)cc1OC ZINC001463619097 1068468736 /nfs/dbraw/zinc/46/87/36/1068468736.db2.gz SEMDFWCFBYJBBY-WKILWMFISA-N 0 0 456.377 4.692 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001463621457 1068469419 /nfs/dbraw/zinc/46/94/19/1068469419.db2.gz AVHLWDWZTKTXEF-DZGCQCFKSA-N 0 0 458.805 4.986 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(Br)cc(C)c3N)cc2)cc1 ZINC001463620856 1068469475 /nfs/dbraw/zinc/46/94/75/1068469475.db2.gz MLXXCJWYJOVCSK-UHFFFAOYSA-N 0 0 454.324 4.853 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001463622835 1068469925 /nfs/dbraw/zinc/46/99/25/1068469925.db2.gz AAGPYXCORUROKO-UHFFFAOYSA-N 0 0 455.923 4.520 20 0 JJADRN CCC1(Cn2c(C3CCCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001546140436 1068470002 /nfs/dbraw/zinc/47/00/02/1068470002.db2.gz FDNCSVIMRRQAND-UHFFFAOYSA-N 0 0 461.651 4.636 20 0 JJADRN Nc1c(Cl)cc(F)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463622725 1068470085 /nfs/dbraw/zinc/47/00/85/1068470085.db2.gz CCYJMMOEFBXJIZ-UHFFFAOYSA-N 0 0 454.310 4.768 20 0 JJADRN CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCOCC1 ZINC001463623151 1068470659 /nfs/dbraw/zinc/47/06/59/1068470659.db2.gz DQCGKPGHOSEDLO-UHFFFAOYSA-N 0 0 456.486 4.652 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)NCC1(c2ccc(C)c(C)c2)CCC1 ZINC001463624866 1068471397 /nfs/dbraw/zinc/47/13/97/1068471397.db2.gz JOIWEGDZIYKNJX-UHFFFAOYSA-N 0 0 452.414 4.616 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@H](c3cnn(C)c3)C(F)(F)F)cc2)cc1 ZINC001463625708 1068472050 /nfs/dbraw/zinc/47/20/50/1068472050.db2.gz SMLXVILVWRQEEJ-GOSISDBHSA-N 0 0 457.499 4.516 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC001463627080 1068472790 /nfs/dbraw/zinc/47/27/90/1068472790.db2.gz QQKZWLYCEGHKFG-JOCHJYFZSA-N 0 0 456.464 4.631 20 0 JJADRN CCOc1ccccc1N1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001463627084 1068473580 /nfs/dbraw/zinc/47/35/80/1068473580.db2.gz SWJWTZCALOMJHJ-UHFFFAOYSA-N 0 0 459.409 4.954 20 0 JJADRN CC(C)(C)[C@H]1CN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc21 ZINC001463628428 1068474192 /nfs/dbraw/zinc/47/41/92/1068474192.db2.gz RSMBPJYSGBCEFR-IRLDBZIGSA-N 0 0 456.608 4.767 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)cc1I ZINC001463628475 1068474197 /nfs/dbraw/zinc/47/41/97/1068474197.db2.gz RWMVSZQZQAJYKR-MRXNPFEDSA-N 0 0 455.361 4.938 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001463628053 1068474313 /nfs/dbraw/zinc/47/43/13/1068474313.db2.gz ALLQTMQBGOGLJF-JOCQHMNTSA-N 0 0 450.276 4.572 20 0 JJADRN CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001463630414 1068474910 /nfs/dbraw/zinc/47/49/10/1068474910.db2.gz FCGRQQUVSMCQEB-UHFFFAOYSA-N 0 0 455.813 4.618 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C3)cc1 ZINC001463629516 1068475054 /nfs/dbraw/zinc/47/50/54/1068475054.db2.gz BAINZXJIJLZRPX-UHFFFAOYSA-N 0 0 455.889 4.600 20 0 JJADRN CCc1ccc(S(=O)(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1CC ZINC001463631141 1068475540 /nfs/dbraw/zinc/47/55/40/1068475540.db2.gz IKFUWYAPCBHTDP-HXUWFJFHSA-N 0 0 451.430 4.839 20 0 JJADRN COCCN([C@@H]1CC[C@@H](C)C1)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463631066 1068475549 /nfs/dbraw/zinc/47/55/49/1068475549.db2.gz PSOUPIOOJLBYQM-OXQOHEQNSA-N 0 0 452.414 4.942 20 0 JJADRN O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cc(Cl)ccc1OCC1CC1 ZINC001463632914 1068476307 /nfs/dbraw/zinc/47/63/07/1068476307.db2.gz BICSHEOPIUECCE-UHFFFAOYSA-N 0 0 452.960 4.870 20 0 JJADRN CCO[C@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC001463632275 1068476340 /nfs/dbraw/zinc/47/63/40/1068476340.db2.gz FNAXJYRCGCNONA-OAHLLOKOSA-N 0 0 453.185 4.812 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)cc1 ZINC001463633138 1068476371 /nfs/dbraw/zinc/47/63/71/1068476371.db2.gz HUUILDHYAVVPBN-HXUWFJFHSA-N 0 0 453.608 4.703 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001463636436 1068476886 /nfs/dbraw/zinc/47/68/86/1068476886.db2.gz SFOXEINUTSMHSM-UHFFFAOYSA-N 0 0 458.486 4.676 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2)cc1 ZINC001463633957 1068476942 /nfs/dbraw/zinc/47/69/42/1068476942.db2.gz NGKLASOLSKDGKP-QFIPXVFZSA-N 0 0 457.983 4.691 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC001463635393 1068477025 /nfs/dbraw/zinc/47/70/25/1068477025.db2.gz SFXHNYITOAZVOG-VIFPVBQESA-N 0 0 451.759 4.653 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC001463637927 1068477613 /nfs/dbraw/zinc/47/76/13/1068477613.db2.gz PJAGJSCDLNQHIS-UHFFFAOYSA-N 0 0 454.335 4.672 20 0 JJADRN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001463640017 1068478154 /nfs/dbraw/zinc/47/81/54/1068478154.db2.gz LEWGZLDHVHOYQG-INIZCTEOSA-N 0 0 455.424 4.770 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c1Br ZINC001463641651 1068478836 /nfs/dbraw/zinc/47/88/36/1068478836.db2.gz HXBQAAMTCCHDQZ-SFHVURJKSA-N 0 0 451.411 4.899 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)c1ccccc1Cl ZINC001463642092 1068478898 /nfs/dbraw/zinc/47/88/98/1068478898.db2.gz RQRYRKYHVSYDIX-SECBINFHSA-N 0 0 453.583 4.905 20 0 JJADRN Cc1cc(Br)ccc1S(=O)(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC001463642761 1068478984 /nfs/dbraw/zinc/47/89/84/1068478984.db2.gz TURUEVIHSCOINE-UHFFFAOYSA-N 0 0 452.292 4.870 20 0 JJADRN Cc1cccc(S(=O)(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1Cl ZINC001463644230 1068479477 /nfs/dbraw/zinc/47/94/77/1068479477.db2.gz LVNOGUDMAAHQNK-UHFFFAOYSA-N 0 0 455.717 4.761 20 0 JJADRN O=S(=O)(Oc1ccc([C@@H]2CCOC2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC001463646670 1068480185 /nfs/dbraw/zinc/48/01/85/1068480185.db2.gz BCFYJTRKOIOVPV-GFCCVEGCSA-N 0 0 451.260 4.740 20 0 JJADRN O=C1OCc2c1c(OS(=O)(=O)c1ccc(OCC(F)F)c3ccccc31)ccc2Cl ZINC001463646816 1068480199 /nfs/dbraw/zinc/48/01/99/1068480199.db2.gz CSVSXFVHLFIFMF-UHFFFAOYSA-N 0 0 454.834 4.575 20 0 JJADRN CCC1(Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)CCOCC1 ZINC001546140611 1068480250 /nfs/dbraw/zinc/48/02/50/1068480250.db2.gz JYTXXOHZYXOGNV-UHFFFAOYSA-N 0 0 464.557 4.999 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC001463651412 1068481520 /nfs/dbraw/zinc/48/15/20/1068481520.db2.gz MWCUQSQSNWUDJH-NRFANRHFSA-N 0 0 458.045 4.850 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1OC ZINC001463652172 1068481533 /nfs/dbraw/zinc/48/15/33/1068481533.db2.gz QETHJINCJBAHIJ-NRFANRHFSA-N 0 0 453.988 4.933 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC001463652956 1068482298 /nfs/dbraw/zinc/48/22/98/1068482298.db2.gz JCQVDDCWFRAPEI-XZOQPEGZSA-N 0 0 469.994 4.949 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c(F)cc1Br ZINC001463655981 1068483701 /nfs/dbraw/zinc/48/37/01/1068483701.db2.gz AWHIYDVOBGQZPV-UHFFFAOYSA-N 0 0 457.752 4.709 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(I)cc2)cc1 ZINC001463656770 1068484359 /nfs/dbraw/zinc/48/43/59/1068484359.db2.gz GAWKENKSVKCEDC-UHFFFAOYSA-N 0 0 457.267 4.783 20 0 JJADRN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1scc(Br)c1Br ZINC001463657456 1068484994 /nfs/dbraw/zinc/48/49/94/1068484994.db2.gz UFAVBHIIHJMREO-UHFFFAOYSA-N 0 0 450.177 4.580 20 0 JJADRN CC1(C)CC(=O)c2cc(OS(=O)(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)ccc2O1 ZINC001463661558 1068486379 /nfs/dbraw/zinc/48/63/79/1068486379.db2.gz BHHYYKQCDAFMDJ-UHFFFAOYSA-N 0 0 450.381 4.852 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001463662317 1068487006 /nfs/dbraw/zinc/48/70/06/1068487006.db2.gz DBJKNILIDPYSGR-QHCPKHFHSA-N 0 0 451.611 4.623 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC001463663289 1068487683 /nfs/dbraw/zinc/48/76/83/1068487683.db2.gz YXVXCBVWKOLNTJ-GOSISDBHSA-N 0 0 458.386 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2)CC1 ZINC001463674593 1068490407 /nfs/dbraw/zinc/49/04/07/1068490407.db2.gz PXEBBOVCESXSLR-MRXNPFEDSA-N 0 0 453.465 4.511 20 0 JJADRN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001463677093 1068490576 /nfs/dbraw/zinc/49/05/76/1068490576.db2.gz OIHKXEZUNYZPSZ-BJKOFHAPSA-N 0 0 453.560 4.783 20 0 JJADRN COCCC[C@H](CNS(=O)(=O)c1cscc1Br)c1ccc(Cl)cc1 ZINC001463677897 1068491086 /nfs/dbraw/zinc/49/10/86/1068491086.db2.gz VJFMDBVKYIMMKH-CYBMUJFWSA-N 0 0 452.823 4.653 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OC(C)(C)C)cn3)ccc2C)c1 ZINC001463678652 1068491110 /nfs/dbraw/zinc/49/11/10/1068491110.db2.gz QXPAORKJHZLEDX-UHFFFAOYSA-N 0 0 453.564 4.929 20 0 JJADRN COc1cccc(CN(C)C(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1 ZINC001463679197 1068491726 /nfs/dbraw/zinc/49/17/26/1068491726.db2.gz ZTNQFTZNGBLZBQ-UHFFFAOYSA-N 0 0 459.612 4.847 20 0 JJADRN O=C(c1ccccc1)c1cc(F)ccc1OS(=O)(=O)c1ccc(F)c(Br)c1 ZINC001463684192 1068492986 /nfs/dbraw/zinc/49/29/86/1068492986.db2.gz XJZYLGSIWHVJGF-UHFFFAOYSA-N 0 0 453.260 4.726 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)c3cccc4c3CCCC4)c2)c1 ZINC001463684324 1068493047 /nfs/dbraw/zinc/49/30/47/1068493047.db2.gz PZDRJFKAYGHXEA-UHFFFAOYSA-N 0 0 453.560 4.853 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463687985 1068494206 /nfs/dbraw/zinc/49/42/06/1068494206.db2.gz NBCWZZHTDCAXRH-PVAVHDDUSA-N 0 0 459.452 4.715 20 0 JJADRN O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001463690894 1068495474 /nfs/dbraw/zinc/49/54/74/1068495474.db2.gz HKLFOHLZAVHYRW-BDTNDASRSA-N 0 0 456.048 4.652 20 0 JJADRN O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001463690896 1068495556 /nfs/dbraw/zinc/49/55/56/1068495556.db2.gz HKLFOHLZAVHYRW-BHDDXSALSA-N 0 0 456.048 4.652 20 0 JJADRN O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001463690898 1068495611 /nfs/dbraw/zinc/49/56/11/1068495611.db2.gz HKLFOHLZAVHYRW-FDFHNCONSA-N 0 0 456.048 4.652 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCc2ccc(Br)cc2C1 ZINC001463690731 1068495633 /nfs/dbraw/zinc/49/56/33/1068495633.db2.gz GUJZUCDRRBZPDW-UHFFFAOYSA-N 0 0 454.695 4.868 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3cccc(C)c3)ccc2C)cc1 ZINC001463696269 1068497173 /nfs/dbraw/zinc/49/71/73/1068497173.db2.gz XIKWEOHIXABSQW-UHFFFAOYSA-N 0 0 454.548 4.520 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)cc1I ZINC001463696017 1068497254 /nfs/dbraw/zinc/49/72/54/1068497254.db2.gz MWJIQGRJCYLUIB-IBGZPJMESA-N 0 0 452.311 4.732 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNS(=O)(=O)c3cc(F)ccc3Cl)cc2)c1 ZINC001463700185 1068499125 /nfs/dbraw/zinc/49/91/25/1068499125.db2.gz NLFLHQCLXLRCRF-UHFFFAOYSA-N 0 0 451.903 4.767 20 0 JJADRN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001463701806 1068499898 /nfs/dbraw/zinc/49/98/98/1068499898.db2.gz RXJYAHDEYAYCMO-INIZCTEOSA-N 0 0 450.185 4.722 20 0 JJADRN CCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001463704520 1068500270 /nfs/dbraw/zinc/50/02/70/1068500270.db2.gz XUWCETAFGLDIJB-UHFFFAOYSA-N 0 0 452.551 4.841 20 0 JJADRN COCC[C@H](NS(=O)(=O)c1ccc2ccnc(Cl)c2c1)c1cccc(C(F)(F)F)c1 ZINC001463706392 1068500879 /nfs/dbraw/zinc/50/08/79/1068500879.db2.gz DBPYKDHHZGBFCK-SFHVURJKSA-N 0 0 458.889 4.963 20 0 JJADRN COCC[C@H](NS(=O)(=O)c1csnc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001463707994 1068501652 /nfs/dbraw/zinc/50/16/52/1068501652.db2.gz QMLOTGQQHTVPDN-KRWDZBQOSA-N 0 0 456.511 4.885 20 0 JJADRN Cc1cccc(OCCNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 ZINC001463711621 1068502212 /nfs/dbraw/zinc/50/22/12/1068502212.db2.gz NQNPEQDHKNGTHJ-UHFFFAOYSA-N 0 0 453.336 4.819 20 0 JJADRN O=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)Nc1ccc(F)cc1 ZINC001463712367 1068502820 /nfs/dbraw/zinc/50/28/20/1068502820.db2.gz WUTMBEDHYMAKNH-UHFFFAOYSA-N 0 0 457.958 4.604 20 0 JJADRN Cc1ccc(CSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1 ZINC001463719623 1068504264 /nfs/dbraw/zinc/50/42/64/1068504264.db2.gz VVEGGFUOSNGSTI-HXUWFJFHSA-N 0 0 450.551 4.889 20 0 JJADRN CC[C@H]1CN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001463722166 1068504784 /nfs/dbraw/zinc/50/47/84/1068504784.db2.gz FUOBMCAGZIAPCP-IBGZPJMESA-N 0 0 450.579 4.721 20 0 JJADRN CC(C)(C)CC[C@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463725313 1068505442 /nfs/dbraw/zinc/50/54/42/1068505442.db2.gz QAZGVLAXCWYMPB-LBPRGKRZSA-N 0 0 458.930 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCCSCc1ccccc1F ZINC001463728435 1068505873 /nfs/dbraw/zinc/50/58/73/1068505873.db2.gz UEMPYEPJXZLBFY-DSKINZAPSA-N 0 0 450.620 4.991 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)c(C)c12 ZINC001463729518 1068506334 /nfs/dbraw/zinc/50/63/34/1068506334.db2.gz ABGRQHAGWXSVMN-UHFFFAOYSA-N 0 0 450.627 4.800 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001463729666 1068506549 /nfs/dbraw/zinc/50/65/49/1068506549.db2.gz ZAMSPYFZTGOULW-QGZVFWFLSA-N 0 0 450.732 4.951 20 0 JJADRN CC(C)c1ccc(CN(C(=O)c2cccn3c(I)cnc23)C2CC2)cc1 ZINC001463733696 1068507316 /nfs/dbraw/zinc/50/73/16/1068507316.db2.gz JWOUGXISKIJXHJ-UHFFFAOYSA-N 0 0 459.331 4.867 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001463735228 1068508076 /nfs/dbraw/zinc/50/80/76/1068508076.db2.gz FHZLKGCNFCXTJH-UHFFFAOYSA-N 0 0 458.455 4.877 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC001463740041 1068508481 /nfs/dbraw/zinc/50/84/81/1068508481.db2.gz YPAVMJOEIYOPBL-UHFFFAOYSA-N 0 0 451.369 4.907 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CCOc1ccccc1Cl ZINC001463740636 1068508504 /nfs/dbraw/zinc/50/85/04/1068508504.db2.gz FEFOYFMHYHBMTB-UHFFFAOYSA-N 0 0 454.748 4.611 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001463738644 1068508666 /nfs/dbraw/zinc/50/86/66/1068508666.db2.gz QALRXAONTGHRSP-YBFXNURJSA-N 0 0 458.402 4.647 20 0 JJADRN Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c(C)c1 ZINC001463742163 1068509066 /nfs/dbraw/zinc/50/90/66/1068509066.db2.gz FKMSYJUGHHJMEU-UHFFFAOYSA-N 0 0 454.567 4.914 20 0 JJADRN CCC(=O)N[C@@H](CCSC)C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001463741032 1068509274 /nfs/dbraw/zinc/50/92/74/1068509274.db2.gz GZGNJBPGCQENSV-NRFANRHFSA-N 0 0 456.608 4.790 20 0 JJADRN CCC(=O)N[C@H](CCSC)C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001463741033 1068509349 /nfs/dbraw/zinc/50/93/49/1068509349.db2.gz GZGNJBPGCQENSV-OAQYLSRUSA-N 0 0 456.608 4.790 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC001463743134 1068509819 /nfs/dbraw/zinc/50/98/19/1068509819.db2.gz KNAMCKFFJKXGSP-UHFFFAOYSA-N 0 0 457.481 4.627 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC001463745918 1068510728 /nfs/dbraw/zinc/51/07/28/1068510728.db2.gz NJJPATFIJYYYPP-UHFFFAOYSA-N 0 0 457.983 4.712 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001463746077 1068510776 /nfs/dbraw/zinc/51/07/76/1068510776.db2.gz MJRHLMOBYRRAFY-MRXNPFEDSA-N 0 0 458.425 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 ZINC001463749313 1068511857 /nfs/dbraw/zinc/51/18/57/1068511857.db2.gz SJMLUEICFULFRG-QGZVFWFLSA-N 0 0 458.942 4.656 20 0 JJADRN Cc1cc(S(=O)(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)cc(C)c1OCc1ccccc1 ZINC001463751367 1068512353 /nfs/dbraw/zinc/51/23/53/1068512353.db2.gz RFLWCOHHSBPDMB-QHCPKHFHSA-N 0 0 459.995 4.890 20 0 JJADRN CCN1CCc2nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750601 1068512416 /nfs/dbraw/zinc/51/24/16/1068512416.db2.gz OYGKASPEYDFFHY-QGZVFWFLSA-N 0 0 450.649 4.571 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3ccccc3OCc3ccccc3)CC2)c(F)c1 ZINC001463756556 1068514010 /nfs/dbraw/zinc/51/40/10/1068514010.db2.gz NSXGJLGOEUKVIV-OWBHPGMISA-N 0 0 458.533 4.969 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463757560 1068514023 /nfs/dbraw/zinc/51/40/23/1068514023.db2.gz DMGVOQIWMICQCB-PXAZEXFGSA-N 0 0 453.404 4.875 20 0 JJADRN O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCCOC1CCCCC1 ZINC001463766689 1068517129 /nfs/dbraw/zinc/51/71/29/1068517129.db2.gz OHAZIGRAQQHLAK-UHFFFAOYSA-N 0 0 450.579 4.771 20 0 JJADRN COc1cccc(S(=O)(=O)NCC(C)(C)c2ccc(Br)cc2Cl)c1F ZINC001463767075 1068517738 /nfs/dbraw/zinc/51/77/38/1068517738.db2.gz OZBUEWZVSVWVJE-UHFFFAOYSA-N 0 0 450.757 4.506 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 ZINC001463767087 1068517804 /nfs/dbraw/zinc/51/78/04/1068517804.db2.gz PCKCAPLBQWZVLG-UHFFFAOYSA-N 0 0 458.805 4.901 20 0 JJADRN O=S(=O)(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001463768917 1068518163 /nfs/dbraw/zinc/51/81/63/1068518163.db2.gz QWPITZYINAYKPC-UYAOXDASSA-N 0 0 459.505 4.966 20 0 JJADRN C[C@H](OCCCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463773011 1068519819 /nfs/dbraw/zinc/51/98/19/1068519819.db2.gz GTEVUEKNEFVRSS-JTSKRJEESA-N 0 0 451.394 4.651 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001463771394 1068520020 /nfs/dbraw/zinc/52/00/20/1068520020.db2.gz AJXBJPHBFBEKLC-FPOVZHCZSA-N 0 0 456.608 4.593 20 0 JJADRN COCCOc1ccc(S(=O)(=O)Oc2ccc(/C=C\c3cccc(OC)c3)cc2)cc1C ZINC001463775897 1068521768 /nfs/dbraw/zinc/52/17/68/1068521768.db2.gz NAXLXKPRQAKGST-FPLPWBNLSA-N 0 0 454.544 4.967 20 0 JJADRN O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)ccc1OCc1ccccc1 ZINC001463779474 1068522198 /nfs/dbraw/zinc/52/21/98/1068522198.db2.gz KMFPNTFPRBKLSB-UHFFFAOYSA-N 0 0 450.336 4.877 20 0 JJADRN CCc1cc(S(=O)(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)c(C)cc1OC ZINC001463779482 1068522483 /nfs/dbraw/zinc/52/24/83/1068522483.db2.gz BEFUONVHCYZZBA-FQEVSTJZSA-N 0 0 452.414 4.930 20 0 JJADRN COc1ccccc1OC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463782841 1068523283 /nfs/dbraw/zinc/52/32/83/1068523283.db2.gz KSASPIIOCBOZLC-UHFFFAOYSA-N 0 0 451.422 4.734 20 0 JJADRN Cc1nc(S(=O)(=O)NCCCc2cn(-c3ccccc3)nc2C)c(-c2ccccc2)s1 ZINC001463785438 1068523559 /nfs/dbraw/zinc/52/35/59/1068523559.db2.gz NNNDUWVZCXCYNR-UHFFFAOYSA-N 0 0 452.605 4.524 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cc1C ZINC001463788617 1068524156 /nfs/dbraw/zinc/52/41/56/1068524156.db2.gz XUXMHNUQENVRIA-NRFANRHFSA-N 0 0 451.032 4.578 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccc(-c4ccccc4)cc3C2)cc1Br ZINC001463791377 1068525292 /nfs/dbraw/zinc/52/52/92/1068525292.db2.gz PMKDPTLGDFRLSY-UHFFFAOYSA-N 0 0 458.377 4.872 20 0 JJADRN O=S(=O)(NCCc1ccc(Br)cc1Cl)c1cnc(-c2ccccc2)s1 ZINC001463791414 1068525396 /nfs/dbraw/zinc/52/53/96/1068525396.db2.gz ZKMIOEOQPIPTQL-UHFFFAOYSA-N 0 0 457.802 4.747 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463796955 1068527484 /nfs/dbraw/zinc/52/74/84/1068527484.db2.gz XRSFTZZYVUWEQF-KBAYOESNSA-N 0 0 454.817 4.825 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC001463800878 1068529516 /nfs/dbraw/zinc/52/95/16/1068529516.db2.gz PNPPLZKUVQQHKX-HXUWFJFHSA-N 0 0 450.529 4.974 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001463800911 1068530203 /nfs/dbraw/zinc/53/02/03/1068530203.db2.gz UGONKHWQQFGTIK-SANMLTNESA-N 0 0 451.567 4.606 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC001463803727 1068530718 /nfs/dbraw/zinc/53/07/18/1068530718.db2.gz KCPOPAAFHZWKOY-CYBMUJFWSA-N 0 0 454.777 4.636 20 0 JJADRN CCC(=O)NCc1cc(S(=O)(=O)Oc2cccc(-c3c(C)cccc3C)c2)ccc1OC ZINC001463805770 1068531347 /nfs/dbraw/zinc/53/13/47/1068531347.db2.gz IXCULEGGFKKBKH-UHFFFAOYSA-N 0 0 453.560 4.773 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N[C@H](C)c2ccc(F)c3ccccc32)c1F ZINC001463805411 1068531443 /nfs/dbraw/zinc/53/14/43/1068531443.db2.gz DXJGCPFUTAUCKH-LLVKDONJSA-N 0 0 456.308 4.929 20 0 JJADRN O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)c1cc(Br)[nH]n1 ZINC001463806248 1068531844 /nfs/dbraw/zinc/53/18/44/1068531844.db2.gz HFIJHDDCNGRLDV-UHFFFAOYSA-N 0 0 451.118 4.766 20 0 JJADRN Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)s2)cs1 ZINC001463805793 1068531908 /nfs/dbraw/zinc/53/19/08/1068531908.db2.gz FTTTVXHEENZCMB-HXUWFJFHSA-N 0 0 455.605 4.640 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2Br)CCC1)C1CCC(C(F)(F)F)CC1 ZINC001463807530 1068532317 /nfs/dbraw/zinc/53/23/17/1068532317.db2.gz MFFARQLMEDAAGR-UHFFFAOYSA-N 0 0 454.352 4.911 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC001463810660 1068532708 /nfs/dbraw/zinc/53/27/08/1068532708.db2.gz VQSPKEKLVDOWKJ-LBPRGKRZSA-N 0 0 457.412 4.519 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001463809246 1068532893 /nfs/dbraw/zinc/53/28/93/1068532893.db2.gz JEELCFUUVLUFOR-CNNODRBYSA-N 0 0 456.608 4.975 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1 ZINC001463812011 1068533608 /nfs/dbraw/zinc/53/36/08/1068533608.db2.gz XOLLSUKSUIJVTL-HXUWFJFHSA-N 0 0 459.530 4.796 20 0 JJADRN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)CCc1noc2ccccc21 ZINC001463812086 1068533940 /nfs/dbraw/zinc/53/39/40/1068533940.db2.gz YBPQSGVSHQCPGS-FQEVSTJZSA-N 0 0 454.514 4.966 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001463816306 1068534507 /nfs/dbraw/zinc/53/45/07/1068534507.db2.gz ACCGPRAGCAGGHQ-UHFFFAOYSA-N 0 0 456.667 4.767 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](c2cccs2)C(C)(C)CO)cc(C)c1OCc1ccccc1 ZINC001463819226 1068535079 /nfs/dbraw/zinc/53/50/79/1068535079.db2.gz KBUWSXXPUVOFPV-HSZRJFAPSA-N 0 0 459.633 4.982 20 0 JJADRN COC(=O)C[C@H](NS(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc2ccccc2c1 ZINC001463818356 1068535131 /nfs/dbraw/zinc/53/51/31/1068535131.db2.gz GPAFFIBXJROENO-FQEVSTJZSA-N 0 0 452.557 4.546 20 0 JJADRN CC(C)Cc1ccc([C@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)N(C)C)cc1 ZINC001463819423 1068535272 /nfs/dbraw/zinc/53/52/72/1068535272.db2.gz BUESKLFLAGRYAI-NRFANRHFSA-N 0 0 458.546 4.506 20 0 JJADRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001463819127 1068535329 /nfs/dbraw/zinc/53/53/29/1068535329.db2.gz WHYKITAAPYCKLX-HSZRJFAPSA-N 0 0 454.615 4.754 20 0 JJADRN COC(=O)C[C@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc2ccccc2c1 ZINC001463820949 1068535897 /nfs/dbraw/zinc/53/58/97/1068535897.db2.gz SGAYDYRSGHVYLD-FQEVSTJZSA-N 0 0 454.935 4.624 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1 ZINC001463823686 1068536325 /nfs/dbraw/zinc/53/63/25/1068536325.db2.gz MSAVPNOUGFPXPJ-HXUWFJFHSA-N 0 0 453.446 4.537 20 0 JJADRN CC(C)CCc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001463825971 1068537638 /nfs/dbraw/zinc/53/76/38/1068537638.db2.gz NMXHWDLNWODXLX-NRFANRHFSA-N 0 0 457.514 4.936 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001463827198 1068538802 /nfs/dbraw/zinc/53/88/02/1068538802.db2.gz GLUGNZGYGKXWDZ-LJQANCHMSA-N 0 0 454.361 4.903 20 0 JJADRN O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001463828501 1068539320 /nfs/dbraw/zinc/53/93/20/1068539320.db2.gz JKEGNGOTQWNQPV-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN CN(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001463828323 1068539449 /nfs/dbraw/zinc/53/94/49/1068539449.db2.gz HEYAIKMLZSJDPT-UHFFFAOYSA-N 0 0 452.239 4.546 20 0 JJADRN CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001463828427 1068539504 /nfs/dbraw/zinc/53/95/04/1068539504.db2.gz IVUKSIIZZREJDD-UTKZUKDTSA-N 0 0 458.555 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCc2ccccc2OC(F)(F)F)co1 ZINC001463830674 1068539876 /nfs/dbraw/zinc/53/98/76/1068539876.db2.gz DIBVKWOJUIFQLZ-HNNXBMFYSA-N 0 0 455.433 4.575 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1)OCc1ccccc1 ZINC001463832968 1068540567 /nfs/dbraw/zinc/54/05/67/1068540567.db2.gz OVGOCFZGKSRZMW-QFIPXVFZSA-N 0 0 456.464 4.859 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)[C@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001463836146 1068541974 /nfs/dbraw/zinc/54/19/74/1068541974.db2.gz UUTNOZVJTUVEJF-GOSISDBHSA-N 0 0 450.501 4.507 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC001463841962 1068544664 /nfs/dbraw/zinc/54/46/64/1068544664.db2.gz CYFGGAONKKBZBG-XMMPIXPASA-N 0 0 458.558 4.928 20 0 JJADRN CCc1ccccc1-n1cc(O)c(C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)n1 ZINC001463845312 1068545900 /nfs/dbraw/zinc/54/59/00/1068545900.db2.gz ZZQPTKOUZIBWCY-UHFFFAOYSA-N 0 0 457.486 4.620 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)cc1 ZINC001463845424 1068546299 /nfs/dbraw/zinc/54/62/99/1068546299.db2.gz IQBFROCFYRNIDF-JOCHJYFZSA-N 0 0 456.587 4.564 20 0 JJADRN COc1ccc(NC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)cc1Cc1ccccc1 ZINC001463848870 1068547046 /nfs/dbraw/zinc/54/70/46/1068547046.db2.gz WWNDZXVWLWADON-QFQXNSOFSA-N 0 0 454.567 4.639 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)cc(Br)c1C ZINC001463853036 1068548234 /nfs/dbraw/zinc/54/82/34/1068548234.db2.gz QDOBIRSVPVAXOI-ICSRJNTNSA-N 0 0 480.424 4.652 20 0 JJADRN CC(C)(C)C[C@H]1CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1(C)C ZINC001463857083 1068548798 /nfs/dbraw/zinc/54/87/98/1068548798.db2.gz KOLJBSXUOXOFPY-NHCUHLMSSA-N 0 0 450.645 4.654 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)cc1 ZINC001463859693 1068549083 /nfs/dbraw/zinc/54/90/83/1068549083.db2.gz NXDINTZKTXYADR-MHZLTWQESA-N 0 0 455.602 4.603 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccncc1 ZINC001463861528 1068549730 /nfs/dbraw/zinc/54/97/30/1068549730.db2.gz GADGGNJHUSXYLY-SANMLTNESA-N 0 0 457.574 4.993 20 0 JJADRN O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001463863849 1068550471 /nfs/dbraw/zinc/55/04/71/1068550471.db2.gz RXIWDAGEDHEZGG-SNAWJCMRSA-N 0 0 458.402 4.787 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463868976 1068551195 /nfs/dbraw/zinc/55/11/95/1068551195.db2.gz XDRJUBRIBANRFP-YJBOKZPZSA-N 0 0 455.407 4.666 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)c2)c1 ZINC001463869301 1068551321 /nfs/dbraw/zinc/55/13/21/1068551321.db2.gz LWKZPLNEOXNVRN-UHFFFAOYSA-N 0 0 457.574 4.844 20 0 JJADRN Cc1cc(C)n(-c2ccc(OS(=O)(=O)c3c(Cl)cc(C)cc3Br)cc2)n1 ZINC001463872496 1068552044 /nfs/dbraw/zinc/55/20/44/1068552044.db2.gz NDQLTMMAZUBKIV-UHFFFAOYSA-N 0 0 455.761 4.981 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001463873171 1068552505 /nfs/dbraw/zinc/55/25/05/1068552505.db2.gz DIKQJGHDEXWGCP-XCBAANBCSA-N 0 0 452.542 4.679 20 0 JJADRN CCC(CC)[C@@H](CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)N1CCOCC1 ZINC001463873251 1068552759 /nfs/dbraw/zinc/55/27/59/1068552759.db2.gz LPTOSFOLHHUCER-HXUWFJFHSA-N 0 0 453.608 4.937 20 0 JJADRN CCC(CC)[C@@H](CNC(=O)c1c(C)onc1-c1cccc(Cl)c1Cl)N1CCOCC1 ZINC001463873449 1068552786 /nfs/dbraw/zinc/55/27/86/1068552786.db2.gz NTMVCBLVVYPFBZ-GOSISDBHSA-N 0 0 454.398 4.824 20 0 JJADRN COc1ccc([C@@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001463873750 1068552827 /nfs/dbraw/zinc/55/28/27/1068552827.db2.gz TUXIYBNZAXPVDO-BWKNWUBXSA-N 0 0 453.604 4.668 20 0 JJADRN CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1OC(C)C ZINC001463878138 1068553917 /nfs/dbraw/zinc/55/39/17/1068553917.db2.gz AYICESOXALRPDA-UHFFFAOYSA-N 0 0 452.532 4.730 20 0 JJADRN CC(C)(C)c1ccncc1CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463879007 1068554007 /nfs/dbraw/zinc/55/40/07/1068554007.db2.gz ZIGWFQGVTLYGDS-UHFFFAOYSA-N 0 0 452.201 4.927 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001463877266 1068554028 /nfs/dbraw/zinc/55/40/28/1068554028.db2.gz UGKRDMWYCUDOMA-YADARESESA-N 0 0 455.601 4.702 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)NCc3ccc(OCC(F)(F)F)cc3)cc21 ZINC001463881241 1068554460 /nfs/dbraw/zinc/55/44/60/1068554460.db2.gz MMPWLFGATNVKCD-UHFFFAOYSA-N 0 0 457.246 4.810 20 0 JJADRN CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001463879694 1068554547 /nfs/dbraw/zinc/55/45/47/1068554547.db2.gz IMAIRZZHTVYHSG-RBUKOAKNSA-N 0 0 469.529 4.525 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(I)cc1 ZINC001463884816 1068555725 /nfs/dbraw/zinc/55/57/25/1068555725.db2.gz CAHIMFFQYLHUJH-ZBFHGGJFSA-N 0 0 459.331 4.677 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC001463887648 1068556116 /nfs/dbraw/zinc/55/61/16/1068556116.db2.gz SUDYTTNMQALKKP-OAQYLSRUSA-N 0 0 452.414 4.851 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)CCOCC1 ZINC001546142474 1068556557 /nfs/dbraw/zinc/55/65/57/1068556557.db2.gz KUEJZPMCTHFZKG-OAQYLSRUSA-N 0 0 473.662 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001463891505 1068557137 /nfs/dbraw/zinc/55/71/37/1068557137.db2.gz ZGNPEUOPRBICES-UHFFFAOYSA-N 0 0 451.354 4.825 20 0 JJADRN CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CCCC1 ZINC001546142509 1068557145 /nfs/dbraw/zinc/55/71/45/1068557145.db2.gz LPCAULLKVJROGE-FUHWJXTLSA-N 0 0 466.598 4.626 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001463891160 1068557193 /nfs/dbraw/zinc/55/71/93/1068557193.db2.gz VUNSQNWNLWGWJE-WOJBJXKFSA-N 0 0 455.498 4.839 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C(=O)c2ccccc2)c2cccnc12 ZINC001463894161 1068557532 /nfs/dbraw/zinc/55/75/32/1068557532.db2.gz JWMPFOGFPIBBBK-UHFFFAOYSA-N 0 0 453.903 4.896 20 0 JJADRN O=S(=O)(NCc1cc(Cl)cc(Br)c1)c1ccc2nc(Cl)sc2c1 ZINC001463894223 1068558205 /nfs/dbraw/zinc/55/82/05/1068558205.db2.gz NQIQUCJWOATKLB-UHFFFAOYSA-N 0 0 452.182 4.844 20 0 JJADRN O=C(c1ccccc1)c1cc(Cl)ccc1OS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001463896404 1068558382 /nfs/dbraw/zinc/55/83/82/1068558382.db2.gz VDSLEBCOJNFRCV-UHFFFAOYSA-N 0 0 452.818 4.660 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc(OC)c1OC ZINC001463899201 1068559209 /nfs/dbraw/zinc/55/92/09/1068559209.db2.gz VWHBKVTYQNXOKE-UHFFFAOYSA-N 0 0 459.502 4.629 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)nc2)cc1 ZINC001463898150 1068559223 /nfs/dbraw/zinc/55/92/23/1068559223.db2.gz GIKYBUFKKHWUBI-UHFFFAOYSA-N 0 0 451.954 4.884 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)cc1 ZINC001463899227 1068559459 /nfs/dbraw/zinc/55/94/59/1068559459.db2.gz OAROCAUHNNKASX-UHFFFAOYSA-N 0 0 455.755 4.598 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)CCC1 ZINC001546142565 1068559825 /nfs/dbraw/zinc/55/98/25/1068559825.db2.gz NEHSWOYDPJUWHL-QGZVFWFLSA-N 0 0 450.530 4.609 20 0 JJADRN Cc1ccc(Br)c(CNS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463900611 1068560015 /nfs/dbraw/zinc/56/00/15/1068560015.db2.gz LALYZRDQFRPARN-UHFFFAOYSA-N 0 0 459.612 4.713 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)CC2)cc1 ZINC001463900452 1068560157 /nfs/dbraw/zinc/56/01/57/1068560157.db2.gz YCPZMDSLLDMAAH-UHFFFAOYSA-N 0 0 453.583 4.923 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(Cl)c(F)cc1Br)c1nccn1C ZINC001463905622 1068561196 /nfs/dbraw/zinc/56/11/96/1068561196.db2.gz BBZZRPJOYBIDBC-KRWDZBQOSA-N 0 0 452.711 4.503 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)cc1 ZINC001463907889 1068561525 /nfs/dbraw/zinc/56/15/25/1068561525.db2.gz IJGGZHZMZMKHDN-UHFFFAOYSA-N 0 0 451.567 4.607 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccccc2-c2nc3ccccc3s2)=NO1 ZINC001463908300 1068561664 /nfs/dbraw/zinc/56/16/64/1068561664.db2.gz XVJIAKXTMQZPCP-AWEZNQCLSA-N 0 0 452.536 4.571 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(Br)cc(OC)c2)cc1 ZINC001463910817 1068562296 /nfs/dbraw/zinc/56/22/96/1068562296.db2.gz CZIRJXAUFCQAPU-UHFFFAOYSA-N 0 0 455.308 4.971 20 0 JJADRN Nc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC001463912012 1068562993 /nfs/dbraw/zinc/56/29/93/1068562993.db2.gz HHLYVIDXPXXZKM-UHFFFAOYSA-N 0 0 457.408 4.563 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Br)nc(Br)c1 ZINC001463919937 1068565974 /nfs/dbraw/zinc/56/59/74/1068565974.db2.gz VDWLOAKKLAYABA-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN CCN(CCOc1ccccc1C)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001463919890 1068566040 /nfs/dbraw/zinc/56/60/40/1068566040.db2.gz JRBQGYDZWGBQSJ-UHFFFAOYSA-N 0 0 450.757 4.640 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001463925793 1068567170 /nfs/dbraw/zinc/56/71/70/1068567170.db2.gz FDLNPJBEIVRPCC-KRWDZBQOSA-N 0 0 458.805 4.897 20 0 JJADRN COc1ccc([C@H](CNC(=O)C2(C3CCCCC3)CCCCC2)N2CCOCC2)cc1OC ZINC001463925861 1068567209 /nfs/dbraw/zinc/56/72/09/1068567209.db2.gz AZCVPXCVSYHGGT-QHCPKHFHSA-N 0 0 458.643 4.724 20 0 JJADRN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc(Br)c1O ZINC001463929417 1068568075 /nfs/dbraw/zinc/56/80/75/1068568075.db2.gz FQFWRHGQGRQFKG-RMKNXTFCSA-N 0 0 456.340 4.891 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142753 1068568182 /nfs/dbraw/zinc/56/81/82/1068568182.db2.gz QHSDQHZUYGXSSV-NJDAHSKKSA-N 0 0 475.678 4.882 20 0 JJADRN COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463931819 1068568592 /nfs/dbraw/zinc/56/85/92/1068568592.db2.gz KFBWNEWAVQWERP-YUXAGFNASA-N 0 0 463.578 4.585 20 0 JJADRN COc1ccc([C@H](CNC(=O)[C@H](C)N2CSCCSC2)c2c[nH]c3ccccc32)cc1 ZINC001463929493 1068568774 /nfs/dbraw/zinc/56/87/74/1068568774.db2.gz GAVVMTVXNWLRAO-UWJYYQICSA-N 0 0 455.649 4.510 20 0 JJADRN COc1cccc([C@H](CNC(=O)c2nnc(C(C)C)s2)c2c[nH]c3ccccc32)c1OC ZINC001463931841 1068569264 /nfs/dbraw/zinc/56/92/64/1068569264.db2.gz KTYJTLZUSNIZMI-SFHVURJKSA-N 0 0 450.564 4.722 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001463933107 1068569673 /nfs/dbraw/zinc/56/96/73/1068569673.db2.gz QDZVQRYEYAVPFS-JOCHJYFZSA-N 0 0 456.514 4.812 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2ccc(C(=O)NC(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC001463936061 1068570242 /nfs/dbraw/zinc/57/02/42/1068570242.db2.gz ZVCBLMOYGUEONS-DEOSSOPVSA-N 0 0 455.558 4.877 20 0 JJADRN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C ZINC001463937804 1068570598 /nfs/dbraw/zinc/57/05/98/1068570598.db2.gz LOFWQASMDAVWOL-UHFFFAOYSA-N 0 0 459.933 4.773 20 0 JJADRN CCOC(=O)CCCNC(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC001463944185 1068571700 /nfs/dbraw/zinc/57/17/00/1068571700.db2.gz LAFGZUUPUDIUCY-UHFFFAOYSA-N 0 0 457.368 4.990 20 0 JJADRN Cc1cccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4ccc(Cl)cc4)C3=O)c[nH]c21 ZINC001463950450 1068572793 /nfs/dbraw/zinc/57/27/93/1068572793.db2.gz JBJVIJRXMCSFMC-ODLFYWEKSA-N 0 0 453.951 4.525 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2Br)c(Cl)c1Cl ZINC001463952521 1068573110 /nfs/dbraw/zinc/57/31/10/1068573110.db2.gz ROGBHLVAZVGWPQ-UHFFFAOYSA-N 0 0 459.576 4.896 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(F)c(C(F)F)c1 ZINC001463950727 1068573410 /nfs/dbraw/zinc/57/34/10/1068573410.db2.gz KQQVRKZUGKIYRN-SXGWCWSVSA-N 0 0 454.857 4.883 20 0 JJADRN CC(C)c1cccc(OCC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 ZINC001463953985 1068574407 /nfs/dbraw/zinc/57/44/07/1068574407.db2.gz TYMMDTXMYLNIHT-NDENLUEZSA-N 0 0 458.967 4.695 20 0 JJADRN O=S(=O)(N[C@@H](C1CCC1)C1CCCC1)c1cc(Br)cc(Br)c1 ZINC001463956212 1068575328 /nfs/dbraw/zinc/57/53/28/1068575328.db2.gz MZFCMSRGKDZKAB-MRXNPFEDSA-N 0 0 451.224 4.849 20 0 JJADRN Nc1c(I)cccc1C(=O)Nc1ccccc1SCC(F)(F)F ZINC001463964400 1068576675 /nfs/dbraw/zinc/57/66/75/1068576675.db2.gz WZTRWRWBEMWQCX-UHFFFAOYSA-N 0 0 452.239 4.780 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)NC3(c4cccc(OC(F)(F)F)c4)CC3)cc2)n1 ZINC001463969136 1068577760 /nfs/dbraw/zinc/57/77/60/1068577760.db2.gz HUBUUJOFIWRHOZ-UHFFFAOYSA-N 0 0 454.495 4.985 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001463968997 1068577787 /nfs/dbraw/zinc/57/77/87/1068577787.db2.gz FALNLXIALHSFKR-MHWRWJLKSA-N 0 0 457.379 4.541 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001463970665 1068578218 /nfs/dbraw/zinc/57/82/18/1068578218.db2.gz MKZMPXFGCAUGGF-LUGLUHMRSA-N 0 0 477.369 4.655 20 0 JJADRN O=C(C=C(C1CC1)C1CC1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001463972332 1068578619 /nfs/dbraw/zinc/57/86/19/1068578619.db2.gz WRVUWASACCZHJC-NVMNQCDNSA-N 0 0 451.375 4.892 20 0 JJADRN CC(C)c1[nH]ccc1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001463972405 1068578727 /nfs/dbraw/zinc/57/87/27/1068578727.db2.gz XJURMYJCUIHNBZ-XNTDXEJSSA-N 0 0 452.363 4.911 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCC(F)(F)CC1 ZINC001463973858 1068579295 /nfs/dbraw/zinc/57/92/95/1068579295.db2.gz AJCYHGBTBWUARU-SECBINFHSA-N 0 0 450.267 4.960 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc(C)c1OCc1ccccc1 ZINC001463975167 1068579694 /nfs/dbraw/zinc/57/96/94/1068579694.db2.gz HNZBYVKBGCJUEG-AZUAARDMSA-N 0 0 457.514 4.661 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001463977664 1068580217 /nfs/dbraw/zinc/58/02/17/1068580217.db2.gz QQTBLYIFHKFUGB-DOTOQJQBSA-N 0 0 456.530 4.681 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1 ZINC001463979466 1068580749 /nfs/dbraw/zinc/58/07/49/1068580749.db2.gz REKPSEWGTJQOLF-UHFFFAOYSA-N 0 0 453.955 4.858 20 0 JJADRN COC(=O)[C@@H]1CN(S(=O)(=O)c2csc3ccc(Cl)cc32)C[C@H]1c1ccc(Cl)cc1 ZINC001463981515 1068580850 /nfs/dbraw/zinc/58/08/50/1068580850.db2.gz VWHRDZNFTCAPDA-DLBZAZTESA-N 0 0 470.399 4.785 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC001463989138 1068581853 /nfs/dbraw/zinc/58/18/53/1068581853.db2.gz KSSMDDFXLVINNW-KRWDZBQOSA-N 0 0 452.363 4.643 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)c(=O)[nH]c21 ZINC001463991821 1068582654 /nfs/dbraw/zinc/58/26/54/1068582654.db2.gz KQHPGKKCBMLMJE-WDZFZDKYSA-N 0 0 450.926 4.891 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC001463993370 1068583271 /nfs/dbraw/zinc/58/32/71/1068583271.db2.gz TTYADLGVEBJQEA-UHFFFAOYSA-N 0 0 458.967 4.561 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 ZINC001463996685 1068583717 /nfs/dbraw/zinc/58/37/17/1068583717.db2.gz PMVCPHQGTYEXOQ-DEOSSOPVSA-N 0 0 458.558 4.560 20 0 JJADRN Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc(Cl)c1Br ZINC001464004161 1068586069 /nfs/dbraw/zinc/58/60/69/1068586069.db2.gz HQEFWHHMDKWBLY-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN Cc1c(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC001464003666 1068586119 /nfs/dbraw/zinc/58/61/19/1068586119.db2.gz BLSLWATXDPRIDG-CQSZACIVSA-N 0 0 450.391 4.838 20 0 JJADRN CC(C)(C)OC(=O)CC1(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CCC1 ZINC001464006103 1068586585 /nfs/dbraw/zinc/58/65/85/1068586585.db2.gz MKKGENAHOHXQLU-UHFFFAOYSA-N 0 0 454.386 4.535 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001464005970 1068586696 /nfs/dbraw/zinc/58/66/96/1068586696.db2.gz GIMVIEODQPZMTM-OAHLLOKOSA-N 0 0 458.407 4.759 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC001464021052 1068591040 /nfs/dbraw/zinc/59/10/40/1068591040.db2.gz WHZYLVFBHULVLS-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001464026943 1068592351 /nfs/dbraw/zinc/59/23/51/1068592351.db2.gz NPSAKTHOQYHMKG-NRFANRHFSA-N 0 0 450.560 4.559 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC001464027776 1068592772 /nfs/dbraw/zinc/59/27/72/1068592772.db2.gz PGCXEGTYCAKKBS-KRWDZBQOSA-N 0 0 453.995 4.744 20 0 JJADRN Cc1c(Br)cccc1S(=O)(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001464027473 1068593000 /nfs/dbraw/zinc/59/30/00/1068593000.db2.gz ZVIRRXBCGPREBC-UHFFFAOYSA-N 0 0 451.169 4.516 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)c2)c1C ZINC001464027381 1068593035 /nfs/dbraw/zinc/59/30/35/1068593035.db2.gz IAYUIJNUGBTBFH-UHFFFAOYSA-N 0 0 454.483 4.550 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030229 1068593458 /nfs/dbraw/zinc/59/34/58/1068593458.db2.gz OJXMEVNBEANQLO-UXHICEINSA-N 0 0 450.604 4.854 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)c(F)cc2Br)cc1Cl ZINC001464033084 1068594467 /nfs/dbraw/zinc/59/44/67/1068594467.db2.gz BPVFNEOCTQVRKL-UHFFFAOYSA-N 0 0 456.120 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC001464032230 1068594678 /nfs/dbraw/zinc/59/46/78/1068594678.db2.gz CSHLIKDZNDREOP-MRXNPFEDSA-N 0 0 454.951 4.514 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CCCc4cc(F)ccc4F)CC3)n2)cc1 ZINC001464035932 1068595835 /nfs/dbraw/zinc/59/58/35/1068595835.db2.gz FUNUJPISZBGNRX-SFHVURJKSA-N 0 0 454.521 4.551 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1NC(=O)OC(C)(C)C ZINC001464038244 1068596330 /nfs/dbraw/zinc/59/63/30/1068596330.db2.gz WIAYNXKLVGJYFN-UHFFFAOYSA-N 0 0 453.948 4.619 20 0 JJADRN Cc1nc(-c2ccc([C@@H](C)NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cs1 ZINC001464038703 1068596380 /nfs/dbraw/zinc/59/63/80/1068596380.db2.gz ZVUJROXUDUPQJU-UZLBHIALSA-N 0 0 459.612 4.712 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001464039802 1068596709 /nfs/dbraw/zinc/59/67/09/1068596709.db2.gz TUIPMFIZOPDLKL-AQOAWAETSA-N 0 0 464.425 4.661 20 0 JJADRN C[C@H](CO)NC(=O)c1cc(Cl)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464045411 1068598718 /nfs/dbraw/zinc/59/87/18/1068598718.db2.gz ZIOINFAZAMGWOX-OAHLLOKOSA-N 0 0 450.922 4.812 20 0 JJADRN COCCN(Cc1ccc(C)cc1C)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001464046758 1068599160 /nfs/dbraw/zinc/59/91/60/1068599160.db2.gz TWDGBOGZIJHUIT-UHFFFAOYSA-N 0 0 458.624 4.947 20 0 JJADRN O=C(c1[nH]ncc1C(F)(F)F)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001464046944 1068599187 /nfs/dbraw/zinc/59/91/87/1068599187.db2.gz LLBWIZNRWBPXNR-UHFFFAOYSA-N 0 0 454.905 4.768 20 0 JJADRN CCCN(Cc1ccccc1Br)C(=O)c1c(Br)nc2n1CCCC2 ZINC001464048923 1068599689 /nfs/dbraw/zinc/59/96/89/1068599689.db2.gz MVZWXOJJTHUBJM-UHFFFAOYSA-N 0 0 455.194 4.797 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@]2(CC)Cc2ccccc2)c(F)cc1Cl ZINC001464051953 1068600533 /nfs/dbraw/zinc/60/05/33/1068600533.db2.gz CQPGRMHVBMEBSM-JOCHJYFZSA-N 0 0 453.963 4.832 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1 ZINC001464059089 1068602327 /nfs/dbraw/zinc/60/23/27/1068602327.db2.gz ZRALANGZWJUZLN-DHIUTWEWSA-N 0 0 474.623 4.545 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001464058074 1068602341 /nfs/dbraw/zinc/60/23/41/1068602341.db2.gz LZJKBJLMOBDHOK-SFHVURJKSA-N 0 0 457.036 4.696 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001464058846 1068602423 /nfs/dbraw/zinc/60/24/23/1068602423.db2.gz ZTAXJAYUGUFYNM-UHFFFAOYSA-N 0 0 458.583 4.798 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001464061956 1068602952 /nfs/dbraw/zinc/60/29/52/1068602952.db2.gz HSHCSYXPYNIZSO-SFHVURJKSA-N 0 0 455.498 4.644 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC001464066823 1068604271 /nfs/dbraw/zinc/60/42/71/1068604271.db2.gz NCZXJFXWBQHLKB-HSZRJFAPSA-N 0 0 450.535 4.609 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC001464066826 1068604276 /nfs/dbraw/zinc/60/42/76/1068604276.db2.gz NCZXJFXWBQHLKB-QHCPKHFHSA-N 0 0 450.535 4.609 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC001464072984 1068605578 /nfs/dbraw/zinc/60/55/78/1068605578.db2.gz KVEDRMYEGOZCSW-IBGZPJMESA-N 0 0 452.576 4.946 20 0 JJADRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CCOc2cccc(C(N)=O)c2)cc1 ZINC001464074167 1068606388 /nfs/dbraw/zinc/60/63/88/1068606388.db2.gz OPOWBFKXSKAMQK-UHFFFAOYSA-N 0 0 459.546 4.743 20 0 JJADRN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC[C@H](c2ccccc2)C(C)C)c1O ZINC001464075360 1068606430 /nfs/dbraw/zinc/60/64/30/1068606430.db2.gz XGSDSHOMRQAOBQ-DEOSSOPVSA-N 0 0 456.542 4.666 20 0 JJADRN COc1ccc(C(NC(=O)c2ccc(Br)c(C)c2N)c2ccc(OC)cc2)cc1 ZINC001464078657 1068607785 /nfs/dbraw/zinc/60/77/85/1068607785.db2.gz RZYLNDLCNRVGIH-UHFFFAOYSA-N 0 0 455.352 4.876 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)C[C@@H]4C[C@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077209 1068607848 /nfs/dbraw/zinc/60/78/48/1068607848.db2.gz WAJLQTIGJYKFQH-VXKWHMMOSA-N 0 0 452.643 4.974 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@](C)(OC)C2)CCCC1 ZINC001546144248 1068609229 /nfs/dbraw/zinc/60/92/29/1068609229.db2.gz HFTHMSWYBDSHLD-CJFMBICVSA-N 0 0 491.677 4.562 20 0 JJADRN CCC1(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001464086172 1068609671 /nfs/dbraw/zinc/60/96/71/1068609671.db2.gz BGYCFGZFPBDPFY-UHFFFAOYSA-N 0 0 456.546 4.605 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@H](O)CC[C@@H](C)CC)c2)c1C(F)(F)F ZINC001464086776 1068610349 /nfs/dbraw/zinc/61/03/49/1068610349.db2.gz DTRHLIUOVUQAKY-WMLDXEAASA-N 0 0 455.477 4.584 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001464091309 1068611551 /nfs/dbraw/zinc/61/15/51/1068611551.db2.gz LVFLJHABWJHNFF-VXGBXAGGSA-N 0 0 453.408 4.854 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1C(C)C ZINC001464093133 1068611989 /nfs/dbraw/zinc/61/19/89/1068611989.db2.gz RCKFGSPLTRQKEI-YADHBBJMSA-N 0 0 453.645 4.630 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC001464092558 1068612073 /nfs/dbraw/zinc/61/20/73/1068612073.db2.gz QUFRFAGOFQUDEB-ITQPQPLLSA-N 0 0 458.443 4.706 20 0 JJADRN COc1nsc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1Br ZINC001464094424 1068612664 /nfs/dbraw/zinc/61/26/64/1068612664.db2.gz YRLOANQSGJLHSF-WDSKDSINSA-N 0 0 455.218 4.554 20 0 JJADRN Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)c(C)s1 ZINC001464096521 1068613486 /nfs/dbraw/zinc/61/34/86/1068613486.db2.gz QQGAPRDLEDOLRE-XOBRGWDASA-N 0 0 457.596 4.634 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Br)cc12)NCc1cccc(NC(=O)c2ccco2)c1 ZINC001464097418 1068614158 /nfs/dbraw/zinc/61/41/58/1068614158.db2.gz QRDDFMJLVGSTTI-UHFFFAOYSA-N 0 0 452.308 4.635 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)nn1 ZINC001464098936 1068614637 /nfs/dbraw/zinc/61/46/37/1068614637.db2.gz XMVMPRLGPUCGDR-UHFFFAOYSA-N 0 0 453.518 4.641 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC001464100685 1068615430 /nfs/dbraw/zinc/61/54/30/1068615430.db2.gz WIPPUJNXMSIXEI-UHFFFAOYSA-N 0 0 453.428 4.595 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)c(C(C)(C)C)n1 ZINC001464102819 1068615956 /nfs/dbraw/zinc/61/59/56/1068615956.db2.gz BTKUDVVCPUATJZ-LJQANCHMSA-N 0 0 450.029 4.769 20 0 JJADRN C[C@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102708 1068616129 /nfs/dbraw/zinc/61/61/29/1068616129.db2.gz KBXASVGUMFRMNQ-KBXCAEBGSA-N 0 0 451.386 4.558 20 0 JJADRN O=S(=O)(N[C@@H]1CCCSc2ccc(Br)cc21)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001464106378 1068617365 /nfs/dbraw/zinc/61/73/65/1068617365.db2.gz GTODWRDSVVDXEA-WDYCEAGBSA-N 0 0 456.402 4.991 20 0 JJADRN COc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2O)ccc1NC(=O)c1cccnc1 ZINC001464106129 1068617541 /nfs/dbraw/zinc/61/75/41/1068617541.db2.gz IXDJGBTXZAVJPG-UHFFFAOYSA-N 0 0 453.498 4.891 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464109196 1068618148 /nfs/dbraw/zinc/61/81/48/1068618148.db2.gz BDADRAOKSCHPEJ-SFHVURJKSA-N 0 0 454.876 4.501 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001464107697 1068618261 /nfs/dbraw/zinc/61/82/61/1068618261.db2.gz FDZHBWDPHQKQFP-IFXJQAMLSA-N 0 0 458.805 4.703 20 0 JJADRN CC(C)(C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(Cl)c1F ZINC001464111247 1068618704 /nfs/dbraw/zinc/61/87/04/1068618704.db2.gz MQPPCUDJKXJBBZ-UHFFFAOYSA-N 0 0 456.867 4.760 20 0 JJADRN O=C(CC1CCC(C(F)(F)F)CC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464110986 1068618734 /nfs/dbraw/zinc/61/87/34/1068618734.db2.gz KWUPFKKSUUFMMI-UHFFFAOYSA-N 0 0 450.423 4.749 20 0 JJADRN COc1ccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1OCc1cccnc1 ZINC001464114485 1068619486 /nfs/dbraw/zinc/61/94/86/1068619486.db2.gz GSAIQFDTPQVGSU-AZUAARDMSA-N 0 0 455.555 4.691 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)c3cc(F)c(Br)cc3F)cc2)co1 ZINC001464116908 1068620616 /nfs/dbraw/zinc/62/06/16/1068620616.db2.gz SOHUVWZYYWYZLJ-SNVBAGLBSA-N 0 0 457.296 4.730 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001464119718 1068621177 /nfs/dbraw/zinc/62/11/77/1068621177.db2.gz CCCVDMMYXCBFIH-IBGZPJMESA-N 0 0 456.391 4.764 20 0 JJADRN CCN([C@@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC001464122734 1068623076 /nfs/dbraw/zinc/62/30/76/1068623076.db2.gz NPPUDIPVDMWREY-KRWDZBQOSA-N 0 0 451.514 4.592 20 0 JJADRN CCN([C@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC001464122737 1068623113 /nfs/dbraw/zinc/62/31/13/1068623113.db2.gz NPPUDIPVDMWREY-QGZVFWFLSA-N 0 0 451.514 4.592 20 0 JJADRN CSc1nnc(CCCNC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)n1CC(C)C ZINC001464126248 1068624948 /nfs/dbraw/zinc/62/49/48/1068624948.db2.gz CPOQFGWRHBFKFR-QINSGFPZSA-N 0 0 456.534 4.707 20 0 JJADRN CCN([C@@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC001464126196 1068624990 /nfs/dbraw/zinc/62/49/90/1068624990.db2.gz XJAZKEAZBAJEHC-AWEZNQCLSA-N 0 0 451.457 4.991 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001464130980 1068627253 /nfs/dbraw/zinc/62/72/53/1068627253.db2.gz NOCPYXKJFHYRDH-IYWMVGAKSA-N 0 0 457.615 4.636 20 0 JJADRN CSc1nnc(CCCNC(=O)c2c(C)cc(Br)cc2Cl)n1CC(C)C ZINC001464130645 1068627316 /nfs/dbraw/zinc/62/73/16/1068627316.db2.gz WNJYLXIRVODJSN-UHFFFAOYSA-N 0 0 459.841 4.743 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC001464131008 1068627761 /nfs/dbraw/zinc/62/77/61/1068627761.db2.gz OKZOWLXRITZAMZ-ZIAGYGMSSA-N 0 0 455.356 4.696 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H]2c2ccc(Br)cc2)c1 ZINC001464135843 1068629179 /nfs/dbraw/zinc/62/91/79/1068629179.db2.gz FALOPGPHPICWEL-INIZCTEOSA-N 0 0 450.276 4.612 20 0 JJADRN COC(=O)CCCCCCNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C ZINC001464134987 1068629383 /nfs/dbraw/zinc/62/93/83/1068629383.db2.gz MJPKFRPQZMABAB-UHFFFAOYSA-N 0 0 454.951 4.955 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 ZINC001464137077 1068629990 /nfs/dbraw/zinc/62/99/90/1068629990.db2.gz KZSHPWWWHHCUQJ-UHFFFAOYSA-N 0 0 454.390 4.826 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)c(F)cc1C ZINC001464135868 1068630000 /nfs/dbraw/zinc/63/00/00/1068630000.db2.gz FDLXMRQRACUACL-RUZDIDTESA-N 0 0 455.551 4.860 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC001464135849 1068630006 /nfs/dbraw/zinc/63/00/06/1068630006.db2.gz FALOPGPHPICWEL-MRXNPFEDSA-N 0 0 450.276 4.612 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001464138998 1068631086 /nfs/dbraw/zinc/63/10/86/1068631086.db2.gz VCKNHROKPVWCHU-PVAVHDDUSA-N 0 0 455.393 4.959 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001464139006 1068631175 /nfs/dbraw/zinc/63/11/75/1068631175.db2.gz VCKNHROKPVWCHU-XIRDDKMYSA-N 0 0 455.393 4.959 20 0 JJADRN O=C(NCc1cnn(Cc2ccccc2)c1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001464144353 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RGBANYXRTXFZHS-BPIQOYSSSA-N 0 0 452.599 4.527 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001464270203 1068683295 /nfs/dbraw/zinc/68/32/95/1068683295.db2.gz LMUNVBIYSKCYRI-LJQANCHMSA-N 0 0 452.473 4.775 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCc1ccc(OC(F)F)cc1F ZINC001464272175 1068684184 /nfs/dbraw/zinc/68/41/84/1068684184.db2.gz WRHFVEHDCRECNN-UHFFFAOYSA-N 0 0 458.683 4.630 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)cc1 ZINC001464272248 1068684680 /nfs/dbraw/zinc/68/46/80/1068684680.db2.gz LASRMAREYHGTRG-JOCHJYFZSA-N 0 0 455.979 4.680 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCc1c(Cl)cccc1OC(F)F ZINC001464272614 1068684739 /nfs/dbraw/zinc/68/47/39/1068684739.db2.gz MXFALKINTQJLCL-UHFFFAOYSA-N 0 0 458.683 4.630 20 0 JJADRN C[C@@H](C1CC1)N(c1ccccc1)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001464276999 1068686876 /nfs/dbraw/zinc/68/68/76/1068686876.db2.gz YHXGIGFISSRUHV-FQEVSTJZSA-N 0 0 456.608 4.670 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CSc1nc(-c2cccc(OC)c2)no1)c1nc2ccccc2[nH]1 ZINC001464278891 1068687427 /nfs/dbraw/zinc/68/74/27/1068687427.db2.gz ADBPJLGDTJZFCR-JLTOFOAXSA-N 0 0 451.552 4.617 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001464287747 1068692221 /nfs/dbraw/zinc/69/22/21/1068692221.db2.gz FDTMVZKGHJJOEF-UHFFFAOYSA-N 0 0 454.552 4.784 20 0 JJADRN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)[C@@H](O)Cc1ccccc1Cl ZINC001464290007 1068692898 /nfs/dbraw/zinc/69/28/98/1068692898.db2.gz BSGZDCMCQKRMOC-KRWDZBQOSA-N 0 0 451.773 4.692 20 0 JJADRN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)c1csc(Br)n1 ZINC001464292207 1068694329 /nfs/dbraw/zinc/69/43/29/1068694329.db2.gz FQSNLZLMUIOGBZ-UHFFFAOYSA-N 0 0 459.188 4.968 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC001464296513 1068695628 /nfs/dbraw/zinc/69/56/28/1068695628.db2.gz RMOVEZHVQIQGSJ-UHFFFAOYSA-N 0 0 454.527 4.818 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001464298891 1068697066 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20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC001464317015 1068702638 /nfs/dbraw/zinc/70/26/38/1068702638.db2.gz GFXITPCWFLVEKY-INIZCTEOSA-N 0 0 455.345 4.941 20 0 JJADRN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccccc2OCC(C)C)c1O ZINC001464317459 1068703235 /nfs/dbraw/zinc/70/32/35/1068703235.db2.gz JPBPCGWWPAAFHQ-UHFFFAOYSA-N 0 0 458.514 4.784 20 0 JJADRN Cc1nc(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)sc1Cc1ccccc1Cl ZINC001464318958 1068703654 /nfs/dbraw/zinc/70/36/54/1068703654.db2.gz PDQXJZPNZODVJW-XMMPIXPASA-N 0 0 453.995 4.725 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001464320776 1068704805 /nfs/dbraw/zinc/70/48/05/1068704805.db2.gz OFMHEYRBYULTTR-SFHVURJKSA-N 0 0 458.624 4.704 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C ZINC001464321787 1068705105 /nfs/dbraw/zinc/70/51/05/1068705105.db2.gz QOTWYCUMJINIQU-OALUTQOASA-N 0 0 450.608 4.834 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc(Cc2ccccc2)ccc1O ZINC001464321544 1068705136 /nfs/dbraw/zinc/70/51/36/1068705136.db2.gz KIBYRNHXLNTFDP-UHFFFAOYSA-N 0 0 452.576 4.573 20 0 JJADRN C[C@@H]1CN(c2ccccc2NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001464321796 1068705358 /nfs/dbraw/zinc/70/53/58/1068705358.db2.gz QSCQHKQGVQBHCR-HDICACEKSA-N 0 0 451.567 4.850 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)c1 ZINC001464324881 1068706132 /nfs/dbraw/zinc/70/61/32/1068706132.db2.gz ADXXCWVCVUWIJU-LJQANCHMSA-N 0 0 452.624 4.857 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1Cl)C1CCCCC1 ZINC001464326536 1068706826 /nfs/dbraw/zinc/70/68/26/1068706826.db2.gz IVMTWJDZERCQPQ-HNNXBMFYSA-N 0 0 456.197 4.804 20 0 JJADRN Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 ZINC001464327980 1068707886 /nfs/dbraw/zinc/70/78/86/1068707886.db2.gz FSQUHCOZOCXCHL-OAHLLOKOSA-N 0 0 450.185 4.985 20 0 JJADRN CCOc1c(Cl)cc(CNC(=O)c2cc(-c3c(C)nn([C@H](C)CC)c3C)n[nH]2)cc1OC ZINC001464328535 1068707945 /nfs/dbraw/zinc/70/79/45/1068707945.db2.gz FGBRRWCOFKNQIJ-CYBMUJFWSA-N 0 0 459.978 4.852 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC001464330334 1068708557 /nfs/dbraw/zinc/70/85/57/1068708557.db2.gz BNCJTZJVYLMHQE-QHCPKHFHSA-N 0 0 456.464 4.973 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCCC(=O)Nc3ccc(Cl)cc3)CCCC[C@H]12 ZINC001464330353 1068708589 /nfs/dbraw/zinc/70/85/89/1068708589.db2.gz AAOMJRIEFYGYRE-YADARESESA-N 0 0 464.006 4.745 20 0 JJADRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001464332687 1068709649 /nfs/dbraw/zinc/70/96/49/1068709649.db2.gz NLDCODQMFVMETE-UHFFFAOYSA-N 0 0 458.430 4.720 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c(C(C)(C)C)n1 ZINC001464334463 1068710160 /nfs/dbraw/zinc/71/01/60/1068710160.db2.gz MKKBKIHDYFDLDW-FQEVSTJZSA-N 0 0 453.608 4.906 20 0 JJADRN CN(C)c1ccc(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)c(C(F)(F)F)c1 ZINC001464338571 1068711658 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HJMUHRVVGAVPML-GOSISDBHSA-N 0 0 456.384 4.986 20 0 JJADRN COc1cc(Br)c(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC ZINC001464469777 1068758370 /nfs/dbraw/zinc/75/83/70/1068758370.db2.gz YYNGWXSAZJMOLO-ZDUSSCGKSA-N 0 0 459.381 4.734 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2NCc2ccccc2)c1 ZINC001464469755 1068758481 /nfs/dbraw/zinc/75/84/81/1068758481.db2.gz YQTSEAGDCLEOKW-UHFFFAOYSA-N 0 0 451.592 4.769 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001464475995 1068760062 /nfs/dbraw/zinc/76/00/62/1068760062.db2.gz LPGDHWFPZSCDTP-IBGZPJMESA-N 0 0 455.295 4.785 20 0 JJADRN O=C(Nc1ccc(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1)c1ccc(Cl)cc1 ZINC001464478202 1068760678 /nfs/dbraw/zinc/76/06/78/1068760678.db2.gz PCVZLPBKLSWZSF-LJQANCHMSA-N 0 0 451.935 4.799 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC001464478613 1068760691 /nfs/dbraw/zinc/76/06/91/1068760691.db2.gz SZTPTLZOISWPPQ-UHFFFAOYSA-N 0 0 456.340 4.618 20 0 JJADRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(CCC(F)(F)F)cc1 ZINC001464478363 1068760730 /nfs/dbraw/zinc/76/07/30/1068760730.db2.gz PFWPUEOAVRCEGC-UHFFFAOYSA-N 0 0 453.936 4.777 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001464480018 1068761309 /nfs/dbraw/zinc/76/13/09/1068761309.db2.gz ZUFYVRFCBURPFK-HXUWFJFHSA-N 0 0 454.311 4.661 20 0 JJADRN Cc1ccc(-c2csc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2-n2cccc2)cc1 ZINC001464479398 1068761341 /nfs/dbraw/zinc/76/13/41/1068761341.db2.gz IVLLWMMCTQOBBW-UHFFFAOYSA-N 0 0 450.585 4.848 20 0 JJADRN Cc1csc(-c2cccc(C(=O)NCCCN3CCN(c4ccccc4Cl)CC3)c2)n1 ZINC001464480237 1068761380 /nfs/dbraw/zinc/76/13/80/1068761380.db2.gz YSDGVYABEUVBNN-UHFFFAOYSA-N 0 0 455.027 4.714 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)c1 ZINC001464480286 1068761427 /nfs/dbraw/zinc/76/14/27/1068761427.db2.gz ZKZANTVPIXGJJA-UHFFFAOYSA-N 0 0 453.583 4.668 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)N1CCSCC1 ZINC001464481749 1068761783 /nfs/dbraw/zinc/76/17/83/1068761783.db2.gz YERDHQTXGYHUKL-HNNXBMFYSA-N 0 0 451.514 4.642 20 0 JJADRN CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1Br)c1nc(-c2ccccc2)c[nH]1 ZINC001464481380 1068761929 /nfs/dbraw/zinc/76/19/29/1068761929.db2.gz BQVGFJZCRAMIQB-SFHVURJKSA-N 0 0 450.340 4.906 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N[C@@H]2CCOc3ccc(Br)cc32)cc1C ZINC001464483285 1068762475 /nfs/dbraw/zinc/76/24/75/1068762475.db2.gz HYQQWGFRDGDPPY-QGZVFWFLSA-N 0 0 454.386 4.692 20 0 JJADRN CC(=O)Nc1cc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)ccc1Cl ZINC001464482618 1068762612 /nfs/dbraw/zinc/76/26/12/1068762612.db2.gz FZWRXPAVXHDGSJ-OAQYLSRUSA-N 0 0 451.910 4.504 20 0 JJADRN CC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nc(-c2ccccc2)c[nH]1 ZINC001464487112 1068763495 /nfs/dbraw/zinc/76/34/95/1068763495.db2.gz OQTUAEROXBWXPC-GOSISDBHSA-N 0 0 450.340 4.906 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)C(=O)OC)cc1 ZINC001464487868 1068763642 /nfs/dbraw/zinc/76/36/42/1068763642.db2.gz GRPYBRJYBTWVPG-MRXNPFEDSA-N 0 0 452.378 4.818 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)ccc1Cl ZINC001464490311 1068764662 /nfs/dbraw/zinc/76/46/62/1068764662.db2.gz XCGKLHXCUNMDMF-UHFFFAOYSA-N 0 0 459.930 4.680 20 0 JJADRN CC(C)n1c2ccc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc2nc1C(F)(F)F ZINC001464491244 1068765121 /nfs/dbraw/zinc/76/51/21/1068765121.db2.gz OTAJMYZLGJVNTB-LJQANCHMSA-N 0 0 458.484 4.730 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)c2cc3ccccc3cc2OC(F)F)C(=O)OC)cc1 ZINC001464491340 1068765133 /nfs/dbraw/zinc/76/51/33/1068765133.db2.gz PPYAUGWUGBHRKU-LJQANCHMSA-N 0 0 457.473 4.602 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC001464492040 1068765247 /nfs/dbraw/zinc/76/52/47/1068765247.db2.gz KWQJBUQOEJNIKL-CQSZACIVSA-N 0 0 450.901 4.703 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC3(c4cccc(Br)c4)CCC3)[nH]n2)c(OC)c1 ZINC001464507089 1068768876 /nfs/dbraw/zinc/76/88/76/1068768876.db2.gz RGNAGQXYMAITDZ-UHFFFAOYSA-N 0 0 456.340 4.666 20 0 JJADRN O=C(Cc1scnc1-c1ccccc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001464511544 1068769494 /nfs/dbraw/zinc/76/94/94/1068769494.db2.gz FALZCRCYXDLWOF-UHFFFAOYSA-N 0 0 454.983 4.772 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC001464517070 1068770714 /nfs/dbraw/zinc/77/07/14/1068770714.db2.gz YYHKDSURACKUJR-GOSISDBHSA-N 0 0 453.583 4.669 20 0 JJADRN Cc1nn(CC(=O)NCCCOc2ccc(F)cc2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001464517496 1068771106 /nfs/dbraw/zinc/77/11/06/1068771106.db2.gz HEYUJOBVGVQTPM-UHFFFAOYSA-N 0 0 452.452 4.606 20 0 JJADRN CC(C)CN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC001464517825 1068771250 /nfs/dbraw/zinc/77/12/50/1068771250.db2.gz FDHSFYRZYUPHRR-RTBURBONSA-N 0 0 456.656 4.763 20 0 JJADRN Cc1[nH]c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)cc2c1C ZINC001464520884 1068771676 /nfs/dbraw/zinc/77/16/76/1068771676.db2.gz RZFJGRGRARCXAQ-KRWDZBQOSA-N 0 0 453.608 4.586 20 0 JJADRN COc1ccc(C)cc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C)c1C)c2=O ZINC001464523138 1068772225 /nfs/dbraw/zinc/77/22/25/1068772225.db2.gz FYIIXMLKDYQUOJ-UHFFFAOYSA-N 0 0 459.571 4.538 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nc1 ZINC001464524358 1068772872 /nfs/dbraw/zinc/77/28/72/1068772872.db2.gz SYUSRETVOSBHOR-UHFFFAOYSA-N 0 0 450.608 4.894 20 0 JJADRN CCC[C@H](NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(Cl)c(Cl)c1 ZINC001464524401 1068772962 /nfs/dbraw/zinc/77/29/62/1068772962.db2.gz IRFRJFJJNAYNDV-IBGZPJMESA-N 0 0 457.423 4.936 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)CC1CC1 ZINC001464536765 1068775059 /nfs/dbraw/zinc/77/50/59/1068775059.db2.gz SARZMWCJAPEVGE-UHFFFAOYSA-N 0 0 457.615 4.859 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC001464535678 1068775140 /nfs/dbraw/zinc/77/51/40/1068775140.db2.gz BGFOTQFUAHYGEQ-ZDUSSCGKSA-N 0 0 455.755 4.797 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001464536873 1068775598 /nfs/dbraw/zinc/77/55/98/1068775598.db2.gz CDPWZBPRNQLPFP-SFHVURJKSA-N 0 0 457.615 4.843 20 0 JJADRN CC(C)CN(Cc1ccccc1F)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001464541059 1068776855 /nfs/dbraw/zinc/77/68/55/1068776855.db2.gz JCCJLVPZQXAURD-UHFFFAOYSA-N 0 0 454.546 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC001464540669 1068776902 /nfs/dbraw/zinc/77/69/02/1068776902.db2.gz LBUFUNFQUMJCOA-OAQYLSRUSA-N 0 0 452.555 4.521 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c(C)n1C[C@@H]1CCCOC1 ZINC001464545551 1068777775 /nfs/dbraw/zinc/77/77/75/1068777775.db2.gz QXVAUAYDMBCWPG-GCJKJVERSA-N 0 0 451.611 4.964 20 0 JJADRN COCCN(C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)c1ccccc1 ZINC001464555563 1068780095 /nfs/dbraw/zinc/78/00/95/1068780095.db2.gz QPWMLEZPDZPFKQ-IBGZPJMESA-N 0 0 454.567 4.666 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)C(F)(F)F)o1 ZINC001464556296 1068780594 /nfs/dbraw/zinc/78/05/94/1068780594.db2.gz NRDXOEOPTOEFEG-QHCPKHFHSA-N 0 0 458.436 4.570 20 0 JJADRN CC(C)(CNC(=O)c1nscc1I)c1ccc(Cl)c(Cl)c1 ZINC001464558514 1068781236 /nfs/dbraw/zinc/78/12/36/1068781236.db2.gz CRZMUIDRZFZUMJ-UHFFFAOYSA-N 0 0 455.148 4.762 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001464565698 1068783557 /nfs/dbraw/zinc/78/35/57/1068783557.db2.gz RCNUXHWVVXHGKO-DSNGMDLFSA-N 0 0 452.595 4.954 20 0 JJADRN CC(C)(CCC(=O)NO[C@H]1CCCCO1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464567572 1068784097 /nfs/dbraw/zinc/78/40/97/1068784097.db2.gz XCBBAIMDOUMHLN-DEOSSOPVSA-N 0 0 452.551 4.658 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001464566595 1068784195 /nfs/dbraw/zinc/78/41/95/1068784195.db2.gz VANZQCJMHYTGJV-KHUIQGCPSA-N 0 0 454.567 4.876 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3C(=O)c3ccccc3)ccc21 ZINC001464568146 1068784534 /nfs/dbraw/zinc/78/45/34/1068784534.db2.gz UPRRUNPVBKKFGE-UHFFFAOYSA-N 0 0 453.542 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001464568079 1068784571 /nfs/dbraw/zinc/78/45/71/1068784571.db2.gz BHFFTIZUIOFPFC-SFTDATJTSA-N 0 0 458.990 4.920 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnc2c(Cl)cccc2c1O ZINC001464567789 1068784645 /nfs/dbraw/zinc/78/46/45/1068784645.db2.gz ACTSDKPSQMZKTO-RTBURBONSA-N 0 0 459.974 4.576 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001464569389 1068785054 /nfs/dbraw/zinc/78/50/54/1068785054.db2.gz ZGFSTZQOTNYXFJ-IBGZPJMESA-N 0 0 452.938 4.889 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001464569042 1068785138 /nfs/dbraw/zinc/78/51/38/1068785138.db2.gz XLFNXUQALILYHK-SFHVURJKSA-N 0 0 454.567 4.576 20 0 JJADRN CN(C)c1ccccc1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001464571175 1068785640 /nfs/dbraw/zinc/78/56/40/1068785640.db2.gz MVOUOWQILZVKFK-UHFFFAOYSA-N 0 0 456.390 4.906 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1Br)N1CCC[C@H](Cc2nccs2)C1 ZINC001464570564 1068785724 /nfs/dbraw/zinc/78/57/24/1068785724.db2.gz FIXYZMMZMJOPPP-CQSZACIVSA-N 0 0 451.411 4.702 20 0 JJADRN Cc1sc(Br)nc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001464571198 1068786263 /nfs/dbraw/zinc/78/62/63/1068786263.db2.gz NJEOWMAITBEBRP-KGLIPLIRSA-N 0 0 458.422 4.608 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCCCOc2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC001464572843 1068786760 /nfs/dbraw/zinc/78/67/60/1068786760.db2.gz CEXVFILSQMJFMZ-UHFFFAOYSA-N 0 0 451.375 4.777 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464572322 1068786857 /nfs/dbraw/zinc/78/68/57/1068786857.db2.gz AIMJRVYEBDNNPR-DLBZAZTESA-N 0 0 452.979 4.587 20 0 JJADRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)c2)C1 ZINC001464573532 1068787285 /nfs/dbraw/zinc/78/72/85/1068787285.db2.gz LPWMDEPCFMVIIC-UWJYYQICSA-N 0 0 456.587 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1Br ZINC001464573131 1068787308 /nfs/dbraw/zinc/78/73/08/1068787308.db2.gz QHKCPOYRPPGJKI-RTBURBONSA-N 0 0 451.405 4.772 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(CO[C@H]3CCC[C@H](C)C3)c1)CC2 ZINC001464574230 1068787762 /nfs/dbraw/zinc/78/77/62/1068787762.db2.gz PBGCYYKCAOOTDA-CYFREDJKSA-N 0 0 452.595 4.796 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C ZINC001464574091 1068787865 /nfs/dbraw/zinc/78/78/65/1068787865.db2.gz MVCDVSGVEYMWAR-UHFFFAOYSA-N 0 0 452.935 4.934 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001464575423 1068788407 /nfs/dbraw/zinc/78/84/07/1068788407.db2.gz JULFVHOHWCUHFG-UHFFFAOYSA-N 0 0 454.910 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(-c2cncnc2)cc1F ZINC001464576813 1068788774 /nfs/dbraw/zinc/78/87/74/1068788774.db2.gz XKAPXPLFCXROJH-FGZHOGPDSA-N 0 0 454.546 4.677 20 0 JJADRN O=c1ccc2cc(S(=O)(=O)N[C@@H](c3ccc(Cl)cc3Cl)C(F)(F)F)ccc2o1 ZINC001464576150 1068788868 /nfs/dbraw/zinc/78/88/68/1068788868.db2.gz BQURLBBIYCXKEL-INIZCTEOSA-N 0 0 452.237 4.682 20 0 JJADRN CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001464576827 1068788874 /nfs/dbraw/zinc/78/88/74/1068788874.db2.gz XAQVGEUUWMVPDC-OAQYLSRUSA-N 0 0 450.583 4.890 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)C1 ZINC001464577909 1068789231 /nfs/dbraw/zinc/78/92/31/1068789231.db2.gz BHRKUZBHLRXSNE-INIZCTEOSA-N 0 0 453.396 4.555 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC001464578520 1068789242 /nfs/dbraw/zinc/78/92/42/1068789242.db2.gz IWTONYPGGNMGCJ-UHFFFAOYSA-N 0 0 451.777 4.872 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC001464578017 1068789301 /nfs/dbraw/zinc/78/93/01/1068789301.db2.gz BVGFDNUUWBHINF-SJORKVTESA-N 0 0 455.462 4.865 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1Cl ZINC001464578955 1068789793 /nfs/dbraw/zinc/78/97/93/1068789793.db2.gz KSHWDCGHZUOJMJ-LJQANCHMSA-N 0 0 459.978 4.752 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001464578744 1068789878 /nfs/dbraw/zinc/78/98/78/1068789878.db2.gz KQKBVBIKBQAXKM-SFTDATJTSA-N 0 0 451.652 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC001464580132 1068790350 /nfs/dbraw/zinc/79/03/50/1068790350.db2.gz WETQFGOUKXEMCC-ZHRRBRCNSA-N 0 0 457.398 4.916 20 0 JJADRN Cc1cccc(NC(=O)[C@H](O)c2ccccc2C(F)(F)F)c1C(=O)NCCc1ccccc1 ZINC001464580640 1068790391 /nfs/dbraw/zinc/79/03/91/1068790391.db2.gz SUQAUTFBJNYUIK-JOCHJYFZSA-N 0 0 456.464 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)Nc3ccc(OCC4CCCCC4)cc3)CCC2)C1 ZINC001464580620 1068790399 /nfs/dbraw/zinc/79/03/99/1068790399.db2.gz SLQVWBBEUWKDJG-UHFFFAOYSA-N 0 0 458.599 4.736 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001464596740 1068794229 /nfs/dbraw/zinc/79/42/29/1068794229.db2.gz KJCUYPMSQSCMOW-UHFFFAOYSA-N 0 0 458.484 4.529 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC001546148124 1068795954 /nfs/dbraw/zinc/79/59/54/1068795954.db2.gz FYTKCCWRAODJJZ-UHFFFAOYSA-N 0 0 469.630 4.515 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc(OC)c1OC ZINC001464607572 1068797604 /nfs/dbraw/zinc/79/76/04/1068797604.db2.gz LXXSASBUBXOEMN-UHFFFAOYSA-N 0 0 454.548 4.670 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001464612265 1068798539 /nfs/dbraw/zinc/79/85/39/1068798539.db2.gz WELCRJOYQBVJJP-UHFFFAOYSA-N 0 0 453.907 4.975 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)cc3)c2)n1 ZINC001464610910 1068798554 /nfs/dbraw/zinc/79/85/54/1068798554.db2.gz JPJSDWIVMWZENZ-FQEVSTJZSA-N 0 0 452.605 4.526 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cn12 ZINC001464612367 1068799130 /nfs/dbraw/zinc/79/91/30/1068799130.db2.gz XOTWOPHQDIZELG-HNNXBMFYSA-N 0 0 450.745 4.530 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCCC1 ZINC001546148189 1068799269 /nfs/dbraw/zinc/79/92/69/1068799269.db2.gz IDNQFSMXDKRPSZ-HXUWFJFHSA-N 0 0 455.622 4.672 20 0 JJADRN COc1cccc([C@H](O)C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 ZINC001464616679 1068800811 /nfs/dbraw/zinc/80/08/11/1068800811.db2.gz SSPOVFQHYDVQMR-DEOSSOPVSA-N 0 0 450.922 4.500 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC001464619334 1068801449 /nfs/dbraw/zinc/80/14/49/1068801449.db2.gz MQBCERNIHFLZKX-UHFFFAOYSA-N 0 0 454.482 4.853 20 0 JJADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464624455 1068802670 /nfs/dbraw/zinc/80/26/70/1068802670.db2.gz VGVBKYMMNFYVBL-SFHVURJKSA-N 0 0 459.631 4.993 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC001464628038 1068803432 /nfs/dbraw/zinc/80/34/32/1068803432.db2.gz WDOPHUPMSBPDPQ-KRWDZBQOSA-N 0 0 456.564 4.715 20 0 JJADRN CCc1nc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(Br)ccc3OC)cc2)n[nH]1 ZINC001464629218 1068803582 /nfs/dbraw/zinc/80/35/82/1068803582.db2.gz JWCJNEVWEYAOPJ-GOSISDBHSA-N 0 0 455.356 4.783 20 0 JJADRN C[C@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1cc(Cl)cc2c1OCC2 ZINC001464630169 1068804030 /nfs/dbraw/zinc/80/40/30/1068804030.db2.gz FVZYHQPFTSGVGP-JTQLQIEISA-N 0 0 456.745 4.823 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc(N=S(C)(C)=O)c1 ZINC001464632311 1068804886 /nfs/dbraw/zinc/80/48/86/1068804886.db2.gz RNHGTCKIZFNSGP-GOSISDBHSA-N 0 0 451.386 4.794 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc(C)n(-c2cnn(C)c2)c1C ZINC001464633046 1068804926 /nfs/dbraw/zinc/80/49/26/1068804926.db2.gz UPMVSPOOHWBZIK-HXUWFJFHSA-N 0 0 457.372 4.576 20 0 JJADRN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464632520 1068804947 /nfs/dbraw/zinc/80/49/47/1068804947.db2.gz SXBJYLGOVOUAIJ-PMACEKPBSA-N 0 0 451.449 4.809 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(Oc2ccccc2)ccc1O ZINC001464634490 1068805507 /nfs/dbraw/zinc/80/55/07/1068805507.db2.gz DCOKZBNXAPJYEW-UHFFFAOYSA-N 0 0 451.280 4.984 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1F ZINC001464635554 1068805948 /nfs/dbraw/zinc/80/59/48/1068805948.db2.gz ISSBTMLNWWLGHF-UHFFFAOYSA-N 0 0 454.097 4.697 20 0 JJADRN COc1cccc(-c2cc(CNS(=O)(=O)c3ccc(OC(C)C)c4ccccc43)on2)c1 ZINC001464635041 1068806259 /nfs/dbraw/zinc/80/62/59/1068806259.db2.gz AFMPMCWKKPLKPI-UHFFFAOYSA-N 0 0 452.532 4.769 20 0 JJADRN C[C@@H](COc1ccccc1)NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464637898 1068806839 /nfs/dbraw/zinc/80/68/39/1068806839.db2.gz ONJVWIWDSRQJEX-PMACEKPBSA-N 0 0 458.558 4.745 20 0 JJADRN C[C@H](COc1ccccc1)NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464637925 1068806867 /nfs/dbraw/zinc/80/68/67/1068806867.db2.gz ONJVWIWDSRQJEX-WOJBJXKFSA-N 0 0 458.558 4.745 20 0 JJADRN O=S(=O)(NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1cccs1 ZINC001464638723 1068807409 /nfs/dbraw/zinc/80/74/09/1068807409.db2.gz LLTIWLPCBLKEJD-UHFFFAOYSA-N 0 0 455.458 4.699 20 0 JJADRN CCOc1cc2c(cc1OCC)CN(C(=O)c1sc(C)c(Br)c1OC)CC2 ZINC001464641538 1068808573 /nfs/dbraw/zinc/80/85/73/1068808573.db2.gz SIVZQQIZXFLHIM-UHFFFAOYSA-N 0 0 454.386 4.824 20 0 JJADRN CCc1sc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1Br ZINC001464641790 1068808594 /nfs/dbraw/zinc/80/85/94/1068808594.db2.gz XYOSMCIKUNVMKY-UHFFFAOYSA-N 0 0 456.163 4.873 20 0 JJADRN Cc1ccc(S(=O)(=O)Oc2cnc3cccc(Br)c3c2)c(Br)c1 ZINC001464643472 1068809271 /nfs/dbraw/zinc/80/92/71/1068809271.db2.gz VKDGRRPLYJCJOI-UHFFFAOYSA-N 0 0 457.143 4.836 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC001464646925 1068810272 /nfs/dbraw/zinc/81/02/72/1068810272.db2.gz ZMZUQYFTYBASIF-QHCPKHFHSA-N 0 0 457.014 4.827 20 0 JJADRN COC(=O)c1cccc(S(=O)(=O)Oc2cccc3ccc(Cl)cc32)c1Br ZINC001464646996 1068810554 /nfs/dbraw/zinc/81/05/54/1068810554.db2.gz UMRYTPASRMHATG-UHFFFAOYSA-N 0 0 455.713 4.810 20 0 JJADRN COc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1 ZINC001464648739 1068810828 /nfs/dbraw/zinc/81/08/28/1068810828.db2.gz MNEPJHXUJNBEJB-UHFFFAOYSA-N 0 0 450.457 4.942 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1 ZINC001464648613 1068810878 /nfs/dbraw/zinc/81/08/78/1068810878.db2.gz LOZQDWBRSOGYOL-XUVXKRRUSA-N 0 0 454.571 4.874 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001464649205 1068810971 /nfs/dbraw/zinc/81/09/71/1068810971.db2.gz OKHGSCIWGKTGDI-LJQANCHMSA-N 0 0 455.002 4.531 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001464651033 1068811528 /nfs/dbraw/zinc/81/15/28/1068811528.db2.gz FCKZKDBURCJLNJ-OAQYLSRUSA-N 0 0 455.558 4.706 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)CCCCCCNC(=O)OC(C)(C)C ZINC001464651292 1068812020 /nfs/dbraw/zinc/81/20/20/1068812020.db2.gz YAOBBAKPPOJRIQ-UHFFFAOYSA-N 0 0 456.381 4.821 20 0 JJADRN COC[C@]1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCCCN1C(=O)OC(C)(C)C ZINC001464652724 1068812587 /nfs/dbraw/zinc/81/25/87/1068812587.db2.gz DRGOLMPOTVTLRO-QFIPXVFZSA-N 0 0 457.398 4.684 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)ccc1C ZINC001464655023 1068813269 /nfs/dbraw/zinc/81/32/69/1068813269.db2.gz GWVWOPQNAAFWDE-UHFFFAOYSA-N 0 0 455.407 4.531 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)co2)cc1 ZINC001464655153 1068813282 /nfs/dbraw/zinc/81/32/82/1068813282.db2.gz SITCZQGZKPVRET-UHFFFAOYSA-N 0 0 452.864 4.878 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3sc(Cc4ccc(F)cc4)nc3C)co2)cc1 ZINC001464658183 1068814166 /nfs/dbraw/zinc/81/41/66/1068814166.db2.gz DIAWZOAUTASRTC-UHFFFAOYSA-N 0 0 451.523 4.818 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001464658989 1068815051 /nfs/dbraw/zinc/81/50/51/1068815051.db2.gz ZEPSYDJTJQQKMK-OAQYLSRUSA-N 0 0 454.935 4.974 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1Oc1ccccc1 ZINC001464660534 1068815445 /nfs/dbraw/zinc/81/54/45/1068815445.db2.gz MVVNNMROTNBNKR-GOSISDBHSA-N 0 0 450.560 4.658 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2csc(-c3ccccc3C)n2)c(F)cc1F ZINC001464661451 1068815594 /nfs/dbraw/zinc/81/55/94/1068815594.db2.gz GIJWPJUNLXIVHC-UHFFFAOYSA-N 0 0 451.520 4.801 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC001464661586 1068816129 /nfs/dbraw/zinc/81/61/29/1068816129.db2.gz AADKSUNDGTXQTJ-UHFFFAOYSA-N 0 0 452.917 4.968 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC001464661810 1068816266 /nfs/dbraw/zinc/81/62/66/1068816266.db2.gz OEUHFPWWUIWYHZ-GOSISDBHSA-N 0 0 454.530 4.743 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C)c1C ZINC001464665220 1068817330 /nfs/dbraw/zinc/81/73/30/1068817330.db2.gz QCRKJPMWYFUCOV-HYBUGGRVSA-N 0 0 450.645 4.687 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)C1)Nc1cccc(F)c1 ZINC001464668212 1068817917 /nfs/dbraw/zinc/81/79/17/1068817917.db2.gz JWAVXHAKZVVBLN-ZDUSSCGKSA-N 0 0 455.864 4.754 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2-c2ccccc2)c(C)c1 ZINC001464669352 1068818358 /nfs/dbraw/zinc/81/83/58/1068818358.db2.gz ODMWSPLUSIFURZ-UHFFFAOYSA-N 0 0 450.604 4.606 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC001464670134 1068819124 /nfs/dbraw/zinc/81/91/24/1068819124.db2.gz YZVDFMJGMAAJGN-OAQYLSRUSA-N 0 0 453.514 4.714 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001464672794 1068819754 /nfs/dbraw/zinc/81/97/54/1068819754.db2.gz GLWUPJMJSJHABV-BWAHOGKJSA-N 0 0 455.514 4.797 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)C1 ZINC001464675880 1068820885 /nfs/dbraw/zinc/82/08/85/1068820885.db2.gz SREIZETZLBWTEP-VGSWGCGISA-N 0 0 459.562 4.907 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464677509 1068822030 /nfs/dbraw/zinc/82/20/30/1068822030.db2.gz SMFSTONOUQZMJM-GOSISDBHSA-N 0 0 453.583 4.608 20 0 JJADRN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464679286 1068822140 /nfs/dbraw/zinc/82/21/40/1068822140.db2.gz ISZRCVRXROEMKG-UXHICEINSA-N 0 0 451.449 4.809 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464684604 1068824651 /nfs/dbraw/zinc/82/46/51/1068824651.db2.gz OBCZFNKGUKJVQK-RTBURBONSA-N 0 0 453.583 4.608 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464686103 1068825164 /nfs/dbraw/zinc/82/51/64/1068825164.db2.gz OGHHTTKTRBXHEW-FQEVSTJZSA-N 0 0 459.974 4.749 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)c3cccc(Br)c3)C2)cc1 ZINC001464690291 1068826423 /nfs/dbraw/zinc/82/64/23/1068826423.db2.gz KANDYKXIMMZMCM-MSOLQXFVSA-N 0 0 458.400 4.921 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)C2)cc1 ZINC001464692071 1068826688 /nfs/dbraw/zinc/82/66/88/1068826688.db2.gz MQMCFBGULCPQNX-UXHICEINSA-N 0 0 455.002 4.535 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)C2(c3ccc(Br)cc3)CC2)CCCCC1 ZINC001464691283 1068826957 /nfs/dbraw/zinc/82/69/57/1068826957.db2.gz DSHHKZWDVMGGGL-UHFFFAOYSA-N 0 0 451.405 4.825 20 0 JJADRN O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001464694654 1068827549 /nfs/dbraw/zinc/82/75/49/1068827549.db2.gz MSDTYGALIUWXAL-CQSZACIVSA-N 0 0 455.761 4.640 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001464697684 1068827957 /nfs/dbraw/zinc/82/79/57/1068827957.db2.gz UFPRMTYFMWTBPY-GOSISDBHSA-N 0 0 454.633 4.524 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)C2)cc1 ZINC001464700401 1068829839 /nfs/dbraw/zinc/82/98/39/1068829839.db2.gz INXLIXLQTSUZNV-BHIFYINESA-N 0 0 454.636 4.501 20 0 JJADRN COCc1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)c(-c2ccccc2)s1 ZINC001464701802 1068829882 /nfs/dbraw/zinc/82/98/82/1068829882.db2.gz INTNMYZKSOGSGO-UHFFFAOYSA-N 0 0 459.612 4.914 20 0 JJADRN O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001464704545 1068830891 /nfs/dbraw/zinc/83/08/91/1068830891.db2.gz JJYPDVWXQKOOFL-KDOFPFPSSA-N 0 0 450.297 4.622 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)C1 ZINC001464704502 1068831152 /nfs/dbraw/zinc/83/11/52/1068831152.db2.gz HBLBOMOJFRAKJI-KOSHJBKYSA-N 0 0 459.993 4.657 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3cc(F)c(I)c(F)c3)n[nH]2)cc1C ZINC001464705477 1068831404 /nfs/dbraw/zinc/83/14/04/1068831404.db2.gz ISGNUURPUPXKPL-UHFFFAOYSA-N 0 0 453.230 4.829 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464705324 1068831448 /nfs/dbraw/zinc/83/14/48/1068831448.db2.gz LGWJJFSJROUJJT-INIZCTEOSA-N 0 0 453.587 4.961 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC001464707033 1068832763 /nfs/dbraw/zinc/83/27/63/1068832763.db2.gz VKYRPVAUMLVAAC-IBGZPJMESA-N 0 0 452.769 4.931 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)ccc1Br ZINC001464711086 1068834768 /nfs/dbraw/zinc/83/47/68/1068834768.db2.gz QYOXJLNDGYLNOL-OAQYLSRUSA-N 0 0 457.368 4.824 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC001464713402 1068835574 /nfs/dbraw/zinc/83/55/74/1068835574.db2.gz YKEZODFSGHTUHI-INIZCTEOSA-N 0 0 458.990 4.525 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl ZINC001464713741 1068835626 /nfs/dbraw/zinc/83/56/26/1068835626.db2.gz ZJWHOYJJYPDWGC-MRXNPFEDSA-N 0 0 458.921 4.979 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCCCCCCO)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC001546148946 1068836402 /nfs/dbraw/zinc/83/64/02/1068836402.db2.gz MPIGSEPWGZINMK-UHFFFAOYSA-N 0 0 458.562 4.687 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(NCCn3ccnc3)cc2)c1 ZINC001464718614 1068836702 /nfs/dbraw/zinc/83/67/02/1068836702.db2.gz JXJCUUNZGCNQAH-UHFFFAOYSA-N 0 0 455.518 4.508 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001464719442 1068837333 /nfs/dbraw/zinc/83/73/33/1068837333.db2.gz RVZURNFZCXAKEZ-AWEZNQCLSA-N 0 0 459.424 4.595 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001464719777 1068838035 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4.765 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C)n3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057068 562932095 /nfs/dbraw/zinc/93/20/95/562932095.db2.gz PITLBOBEXYPEKE-LVXARBLLSA-N 0 0 475.545 4.539 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCC2(C[C@@H]2CCO)CC1 ZINC001164392860 718810902 /nfs/dbraw/zinc/81/09/02/718810902.db2.gz PLJZGQOMRDATCO-HNNXBMFYSA-N 0 0 486.346 4.674 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC5(C[C@H]5CCO)CC4)c23)C1 ZINC001164390644 718811519 /nfs/dbraw/zinc/81/15/19/718811519.db2.gz BAQOJHOVPKKHAH-RTBURBONSA-N 0 0 454.684 4.791 20 0 JJADRN O=C1c2ccccc2[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164409707 718848383 /nfs/dbraw/zinc/84/83/83/718848383.db2.gz WQYMIWXHLKNDQJ-NHCUHLMSSA-N 0 0 458.631 4.972 20 0 JJADRN O=C1Nc2ccccc2[C@@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]12 ZINC001164401223 718857398 /nfs/dbraw/zinc/85/73/98/718857398.db2.gz DDXMDPALRVQIJC-RPPIVITFSA-N 0 0 498.389 4.589 20 0 JJADRN 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CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)C2 ZINC001164406337 718867299 /nfs/dbraw/zinc/86/72/99/718867299.db2.gz GLOOANNBGRKMQD-UHFFFAOYSA-N 0 0 476.911 4.739 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164418546 718889640 /nfs/dbraw/zinc/88/96/40/718889640.db2.gz OXKUEQFYDJVKQG-LBPRGKRZSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164415816 718889984 /nfs/dbraw/zinc/88/99/84/718889984.db2.gz BVRNJBMAUJJFKS-ZDUSSCGKSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419147 718890124 /nfs/dbraw/zinc/89/01/24/718890124.db2.gz QAYVTYYVSMTBMV-INIZCTEOSA-N 0 0 494.727 4.816 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164421908 718890162 /nfs/dbraw/zinc/89/01/62/718890162.db2.gz ZHHJIPRZOSCPRO-INIZCTEOSA-N 0 0 494.727 4.816 20 0 JJADRN Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164415808 718890634 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PVSJCMHDNKUUCR-KDOFPFPSSA-N 0 0 480.726 4.683 20 0 JJADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CC1 ZINC001164620751 719128525 /nfs/dbraw/zinc/12/85/25/719128525.db2.gz JVGVVQWVGOTVRC-UHFFFAOYSA-N 0 0 456.884 4.634 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164631396 719139320 /nfs/dbraw/zinc/13/93/20/719139320.db2.gz NGZZAXBNKUUXKU-LJQANCHMSA-N 0 0 481.946 4.897 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164646460 719287999 /nfs/dbraw/zinc/28/79/99/719287999.db2.gz NZGBVJWLXSGCCK-NMNUPHIUSA-N 0 0 494.064 4.989 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649477 719290716 /nfs/dbraw/zinc/29/07/16/719290716.db2.gz WWVNSQLTUUPMDE-MAZHCROVSA-N 0 0 470.929 4.672 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645411 719293115 /nfs/dbraw/zinc/29/31/15/719293115.db2.gz HOMOTVPEIPNIGY-FUDKSRODSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164646694 719294050 /nfs/dbraw/zinc/29/40/50/719294050.db2.gz PNWRUSVQWHHPSW-DXIQSLLYSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164647357 719294614 /nfs/dbraw/zinc/29/46/14/719294614.db2.gz DUHFUQWZRYHJRU-PMPSAXMXSA-N 0 0 464.727 4.935 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647359 719294686 /nfs/dbraw/zinc/29/46/86/719294686.db2.gz DUHFUQWZRYHJRU-XHSDSOJGSA-N 0 0 464.727 4.935 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164656151 719295210 /nfs/dbraw/zinc/29/52/10/719295210.db2.gz WLQHDVAXEUSNCZ-FSSWDIPSSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164656152 719295349 /nfs/dbraw/zinc/29/53/49/719295349.db2.gz WLQHDVAXEUSNCZ-VSKRKVRLSA-N 0 0 472.923 4.690 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)c(Cl)nn1 ZINC001164652370 719295864 /nfs/dbraw/zinc/29/58/64/719295864.db2.gz MWQUHGOMSRGTMT-FSSWDIPSSA-N 0 0 490.913 4.829 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164651814 719296105 /nfs/dbraw/zinc/29/61/05/719296105.db2.gz MNPSLOSVUPGZMR-NRSPTQNISA-N 0 0 461.896 4.888 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@@H]3O2)n1 ZINC001164654218 719298378 /nfs/dbraw/zinc/29/83/78/719298378.db2.gz QRDZXFXHHSSLSN-ONERCXAPSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3O2)n1 ZINC001164656730 719299290 /nfs/dbraw/zinc/29/92/90/719299290.db2.gz YKSIFOIQFZBZIF-NZVBXONLSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@H]3O2)n1 ZINC001164656078 719299479 /nfs/dbraw/zinc/29/94/79/719299479.db2.gz VVGJACKKZIHPBE-DDTOSNHZSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)Oc4ccccc4-c4cccc(Cl)n4)C[C@H]3O2)n1 ZINC001164656911 719301007 /nfs/dbraw/zinc/30/10/07/719301007.db2.gz ZHEJNTSAPDKBFE-MDASCCDHSA-N 0 0 462.884 4.875 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164654793 719301641 /nfs/dbraw/zinc/30/16/41/719301641.db2.gz RTXHNYBVPPCPGN-AYOQOUSVSA-N 0 0 461.900 4.698 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@H]3O2)n1 ZINC001164655732 719301883 /nfs/dbraw/zinc/30/18/83/719301883.db2.gz VINQNIAFHQBSCT-AYOQOUSVSA-N 0 0 461.900 4.698 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C[C@H]2CCCO[C@H]21 ZINC001164650968 719303424 /nfs/dbraw/zinc/30/34/24/719303424.db2.gz KFYGWRBOQXMVOT-XMLVGPMBSA-N 0 0 470.347 4.693 20 0 JJADRN COc1ccc(-c2nc3ccc(F)cc3c(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)n2)cc1 ZINC001164646677 719309236 /nfs/dbraw/zinc/30/92/36/719309236.db2.gz GKUSDMXKCCTVIC-UHFFFAOYSA-N 0 0 474.584 4.846 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c(Cl)nn2)cc1 ZINC001164654906 719318052 /nfs/dbraw/zinc/31/80/52/719318052.db2.gz SOWWHILEZLMTNP-UHFFFAOYSA-N 0 0 490.986 4.752 20 0 JJADRN O=S1(=O)c2ccccc2[C@]2(CCN(C(F)(F)c3cccc(Cl)n3)C2)N1Cc1ccccc1 ZINC001164652721 719322650 /nfs/dbraw/zinc/32/26/50/719322650.db2.gz LEXHTCRLNXLWII-JOCHJYFZSA-N 0 0 475.948 4.590 20 0 JJADRN CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654161 719322991 /nfs/dbraw/zinc/32/29/91/719322991.db2.gz PKFCDTFDAQPZER-VWLOTQADSA-N 0 0 468.022 4.776 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164652672 719323065 /nfs/dbraw/zinc/32/30/65/719323065.db2.gz DNAYNEPCTDJANX-UHFFFAOYSA-N 0 0 484.938 4.904 20 0 JJADRN CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC001164654160 719323137 /nfs/dbraw/zinc/32/31/37/719323137.db2.gz PKFCDTFDAQPZER-RUZDIDTESA-N 0 0 468.022 4.776 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164652647 719323459 /nfs/dbraw/zinc/32/34/59/719323459.db2.gz CZGCCUMZHRGUOC-UHFFFAOYSA-N 0 0 496.949 4.971 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](NC(=O)CC4CC4)[C@H]4OCCC[C@H]4C3)c(Cl)nn2)c1 ZINC001164655170 719326879 /nfs/dbraw/zinc/32/68/79/719326879.db2.gz OQKISYCETHUYJK-ZEYPLWLESA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164654818 719327629 /nfs/dbraw/zinc/32/76/29/719327629.db2.gz MZHDJZKLZKQYOY-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)nc12 ZINC001164663599 719342705 /nfs/dbraw/zinc/34/27/05/719342705.db2.gz YSAMIKKNYTVDFV-AOIWGVFYSA-N 0 0 455.908 4.910 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)c2c1C ZINC001164662043 719343804 /nfs/dbraw/zinc/34/38/04/719343804.db2.gz MTGDCSZCXOBHMW-HFMPRLQTSA-N 0 0 470.683 4.847 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661349 719344320 /nfs/dbraw/zinc/34/43/20/719344320.db2.gz KMXWDLUCFVCKGN-SXLOBPIMSA-N 0 0 453.917 4.878 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164663458 719346342 /nfs/dbraw/zinc/34/63/42/719346342.db2.gz HJJBLDOFPPFQDZ-UHFFFAOYSA-N 0 0 494.643 4.985 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164663474 719347084 /nfs/dbraw/zinc/34/70/84/719347084.db2.gz IAPCRELIWGZVKZ-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164663111 719348416 /nfs/dbraw/zinc/34/84/16/719348416.db2.gz CZTKDFBNXOPAHH-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164659956 719351860 /nfs/dbraw/zinc/35/18/60/719351860.db2.gz SWOJYMGNPWSDLA-UHFFFAOYSA-N 0 0 468.605 4.642 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164658138 719352236 /nfs/dbraw/zinc/35/22/36/719352236.db2.gz DSDHKLIORKRBBK-UHFFFAOYSA-N 0 0 477.663 4.503 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164658449 719354107 /nfs/dbraw/zinc/35/41/07/719354107.db2.gz HDXQPSYPXNXHDC-UHFFFAOYSA-N 0 0 456.619 4.900 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164663139 719355996 /nfs/dbraw/zinc/35/59/96/719355996.db2.gz CQBZUZJGSVSCEG-UHFFFAOYSA-N 0 0 463.029 4.704 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164663324 719359571 /nfs/dbraw/zinc/35/95/71/719359571.db2.gz CTQYOLYRECXGSL-UHFFFAOYSA-N 0 0 483.947 4.511 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164664233 719359810 /nfs/dbraw/zinc/35/98/10/719359810.db2.gz MPKKNNRVWPPBQZ-UHFFFAOYSA-N 0 0 491.995 4.886 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164664576 719359970 /nfs/dbraw/zinc/35/99/70/719359970.db2.gz OOGLXTIQRMIPHP-UHFFFAOYSA-N 0 0 498.024 4.947 20 0 JJADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164664449 719362396 /nfs/dbraw/zinc/36/23/96/719362396.db2.gz QXKLINGKOBPKHX-AWEZNQCLSA-N 0 0 468.335 4.962 20 0 JJADRN CCOC[C@@H]1CN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)Cc2nn(CC3CC3)cc21 ZINC001164664845 719363959 /nfs/dbraw/zinc/36/39/59/719363959.db2.gz SYHRKYDKZFHETM-MHECFPHRSA-N 0 0 471.964 4.671 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2nc4ccsc4c(Cl)n2)CC3)cc1 ZINC001164674483 719500166 /nfs/dbraw/zinc/50/01/66/719500166.db2.gz YFQXDSZJMZZYNW-UHFFFAOYSA-N 0 0 482.959 4.900 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164672695 719526381 /nfs/dbraw/zinc/52/63/81/719526381.db2.gz MTOYLZQOUAFLMX-UHFFFAOYSA-N 0 0 470.951 4.947 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2ccnc(CSc4ccccc4)n2)CC3)cc1 ZINC001164679139 719530399 /nfs/dbraw/zinc/53/03/99/719530399.db2.gz UGNDENHEMIXQCZ-UHFFFAOYSA-N 0 0 464.610 4.779 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)cc1 ZINC001164677576 719532933 /nfs/dbraw/zinc/53/29/33/719532933.db2.gz FYRRETPYLXMVFC-UHFFFAOYSA-N 0 0 451.373 4.671 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1)N1CCCC1 ZINC001164677362 719544876 /nfs/dbraw/zinc/54/48/76/719544876.db2.gz DDTGRXDAVWOVGY-GQWLDOHISA-N 0 0 479.930 4.692 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1)N1CCCC1 ZINC001164678916 719547309 /nfs/dbraw/zinc/54/73/09/719547309.db2.gz OJIXGCWMVVNABM-ZTFGCOKTSA-N 0 0 467.969 4.615 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)cnc2Cl)c1 ZINC001164679182 719547600 /nfs/dbraw/zinc/54/76/00/719547600.db2.gz UWTSQDCPDZIPAF-VOQZNFBZSA-N 0 0 491.966 4.562 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)cnc2Cl)c1 ZINC001164679184 719548090 /nfs/dbraw/zinc/54/80/90/719548090.db2.gz UWTSQDCPDZIPAF-YHYVQYDKSA-N 0 0 491.966 4.562 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001164684674 719594366 /nfs/dbraw/zinc/59/43/66/719594366.db2.gz IXJISYSSWRWQEO-UHFFFAOYSA-N 0 0 458.987 4.800 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C[C@@H]2COc1cccnc1 ZINC001164682620 719596750 /nfs/dbraw/zinc/59/67/50/719596750.db2.gz CLSAXQCKHQTFKB-CYBMUJFWSA-N 0 0 491.329 4.793 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C[C@@H]2COc1cccnc1 ZINC001164688088 719598503 /nfs/dbraw/zinc/59/85/03/719598503.db2.gz SXDWDYZPSMXHPB-QGZVFWFLSA-N 0 0 482.922 4.653 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)N1Cc1cccnc1 ZINC001164690780 719764583 /nfs/dbraw/zinc/76/45/83/719764583.db2.gz IFDSMQAEKILJDC-LEWJYISDSA-N 0 0 454.908 4.722 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)N1Cc1cccnc1 ZINC001164690674 719774492 /nfs/dbraw/zinc/77/44/92/719774492.db2.gz GWCORAKLTLWEAI-LEWJYISDSA-N 0 0 472.898 4.861 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164696531 719790227 /nfs/dbraw/zinc/79/02/27/719790227.db2.gz VCHOAOSKUVOQRJ-UHFFFAOYSA-N 0 0 454.308 4.664 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164695964 719790660 /nfs/dbraw/zinc/79/06/60/719790660.db2.gz PVCBOENPTQQAKU-UHFFFAOYSA-N 0 0 454.308 4.664 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCc4ncnc(OC(C)C)c4CC3)c(Cl)nn2)cc1 ZINC001164696479 719793301 /nfs/dbraw/zinc/79/33/01/719793301.db2.gz SUYZLUTVZJKPOY-UHFFFAOYSA-N 0 0 475.927 4.533 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)CC3)cs1 ZINC001164691529 719814100 /nfs/dbraw/zinc/81/41/00/719814100.db2.gz GDTLIWWINBCOOZ-UHFFFAOYSA-N 0 0 453.990 4.952 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc4nc(Cl)nc(Cl)c4c2)CC3)cn1 ZINC001164696460 719825612 /nfs/dbraw/zinc/82/56/12/719825612.db2.gz KQAZCHJPNYHSQM-CYBMUJFWSA-N 0 0 468.335 4.758 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(C[C@@H](c5cnn(C)c5)CO4)CC3)c2c1C ZINC001164700073 719826205 /nfs/dbraw/zinc/82/62/05/719826205.db2.gz ZZGUOLUKSMLEMJ-HXUWFJFHSA-N 0 0 480.682 4.571 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c(-c4ccncc4)c2)CC3)cn1 ZINC001164697538 719826730 /nfs/dbraw/zinc/82/67/30/719826730.db2.gz OUXPBPYJDXFAEV-KRWDZBQOSA-N 0 0 459.928 4.619 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H](c5cnn(C)c5)CO4)CC3)c(Cl)nn2)c1 ZINC001164697623 719827239 /nfs/dbraw/zinc/82/72/39/719827239.db2.gz PTHRZMRDOYWTGE-SFHVURJKSA-N 0 0 473.955 4.927 20 0 JJADRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164696367 719834711 /nfs/dbraw/zinc/83/47/11/719834711.db2.gz SQPKPRGCEIRBSZ-FQEVSTJZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1cc(C1CCN(C(F)(F)COc3ccnc(Cl)c3)CC1)nc2-c1cccnc1 ZINC001164696787 719881059 /nfs/dbraw/zinc/88/10/59/719881059.db2.gz BIAOTVGYGQVCJA-UHFFFAOYSA-N 0 0 484.938 4.930 20 0 JJADRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC1)nc2-c1cccnc1 ZINC001164700302 719881382 /nfs/dbraw/zinc/88/13/82/719881382.db2.gz JLIFRPOQQBDJJO-UHFFFAOYSA-N 0 0 495.965 4.891 20 0 JJADRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC1)nc2-c1cccnc1 ZINC001164702134 719881412 /nfs/dbraw/zinc/88/14/12/719881412.db2.gz OFEZKONOOCLYEM-UHFFFAOYSA-N 0 0 469.927 4.590 20 0 JJADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4ccc(Cl)cc4)c2)C3)n1 ZINC001164811381 720063749 /nfs/dbraw/zinc/06/37/49/720063749.db2.gz OEFSEBIACCEZIA-FOIQADDNSA-N 0 0 467.303 4.696 20 0 JJADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164714948 720077793 /nfs/dbraw/zinc/07/77/93/720077793.db2.gz XINYGOMSUCQWQA-RTBURBONSA-N 0 0 478.330 4.718 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2nc(Cl)ccc2F)CC3)c1 ZINC001164709117 720087983 /nfs/dbraw/zinc/08/79/83/720087983.db2.gz BQPMXPSVGDHHJS-UHFFFAOYSA-N 0 0 482.915 4.742 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)cs1 ZINC001164816664 720252279 /nfs/dbraw/zinc/25/22/79/720252279.db2.gz LHUJXRHXWGFJLK-PMACEKPBSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccc(Cl)nc3c2)cs1 ZINC001164816111 720253645 /nfs/dbraw/zinc/25/36/45/720253645.db2.gz GTBCAZKXCALYGK-RBUKOAKNSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)cs1 ZINC001164815189 720256331 /nfs/dbraw/zinc/25/63/31/720256331.db2.gz BQPJZZCEXOMPJD-QZTJIDSGSA-N 0 0 489.979 4.877 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)c1 ZINC001164815747 720257309 /nfs/dbraw/zinc/25/73/09/720257309.db2.gz DWGCRQUXHSSAPR-HOTGVXAUSA-N 0 0 458.987 4.537 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164817595 720279471 /nfs/dbraw/zinc/27/94/71/720279471.db2.gz DSRDCXWNMHICAU-FQEVSTJZSA-N 0 0 455.336 4.710 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817550 720281325 /nfs/dbraw/zinc/28/13/25/720281325.db2.gz DHBXJOHORNFGJE-FQEVSTJZSA-N 0 0 452.958 4.632 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164817552 720281698 /nfs/dbraw/zinc/28/16/98/720281698.db2.gz DHBXJOHORNFGJE-HXUWFJFHSA-N 0 0 452.958 4.632 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)c1 ZINC001164820842 720283577 /nfs/dbraw/zinc/28/35/77/720283577.db2.gz YBUNUOVQYWNPJO-HSZRJFAPSA-N 0 0 460.956 4.879 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164725036 720317043 /nfs/dbraw/zinc/31/70/43/720317043.db2.gz VISBSQGXRATAJP-NRFANRHFSA-N 0 0 488.970 4.668 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825059 720387628 /nfs/dbraw/zinc/38/76/28/720387628.db2.gz UAKUPWFLESZPMW-BFYDXBDKSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820397 720387907 /nfs/dbraw/zinc/38/79/07/720387907.db2.gz AOHLCBQPECFMPF-ARFHVFGLSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822884 720388440 /nfs/dbraw/zinc/38/84/40/720388440.db2.gz MRNXHEOCUQTNSB-LZLYRXPVSA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822880 720388695 /nfs/dbraw/zinc/38/86/95/720388695.db2.gz MRNXHEOCUQTNSB-JFIYKMOQSA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164822921 720389299 /nfs/dbraw/zinc/38/92/99/720389299.db2.gz NDBTVCOOIGHBKH-GGPKGHCWSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822282 720391714 /nfs/dbraw/zinc/39/17/14/720391714.db2.gz LDTWVBVYLXBVPY-BHIYHBOVSA-N 0 0 482.940 4.653 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164824463 720394186 /nfs/dbraw/zinc/39/41/86/720394186.db2.gz SHXHWQNZQBCMQM-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821080 720395379 /nfs/dbraw/zinc/39/53/79/720395379.db2.gz DQHKDCYPWYJZQB-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)O2)n1 ZINC001164827662 720402831 /nfs/dbraw/zinc/40/28/31/720402831.db2.gz GWDASERBGRWUSB-KKUMJFAQSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)O2)n1 ZINC001164830470 720405773 /nfs/dbraw/zinc/40/57/73/720405773.db2.gz RCTSIJNLMAKBIK-MCIONIFRSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(CN4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)O2)n1 ZINC001164830981 720408630 /nfs/dbraw/zinc/40/86/30/720408630.db2.gz SVHFSYIPWLVDBU-XCLNPWKQSA-N 0 0 494.665 4.602 20 0 JJADRN Cc1noc([C@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)O2)n1 ZINC001164828792 720411397 /nfs/dbraw/zinc/41/13/97/720411397.db2.gz LILDTDGVQMOTHD-GBESFXJTSA-N 0 0 461.900 4.841 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164827528 720418175 /nfs/dbraw/zinc/41/81/75/720418175.db2.gz SUIAIAHSGSTDMF-CKEIUWERSA-N 0 0 472.363 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]21 ZINC001164822535 720423309 /nfs/dbraw/zinc/42/33/09/720423309.db2.gz DSWFDWREVIWXOV-GQIGUUNPSA-N 0 0 481.946 4.700 20 0 JJADRN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731798 720481597 /nfs/dbraw/zinc/48/15/97/720481597.db2.gz XTTBFOCYGRBOOD-VXKWHMMOSA-N 0 0 469.980 4.502 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730555 720485003 /nfs/dbraw/zinc/48/50/03/720485003.db2.gz UDNVYGKVWVEBGU-FCHUYYIVSA-N 0 0 455.940 4.899 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cnc(Cl)c(Cl)c2)C3)c1 ZINC001164723891 720490325 /nfs/dbraw/zinc/49/03/25/720490325.db2.gz DITKUBMAIPOQAP-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)C3)c1 ZINC001164724758 720492315 /nfs/dbraw/zinc/49/23/15/720492315.db2.gz HAPDLBPIHIECAF-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164724182 720494988 /nfs/dbraw/zinc/49/49/88/720494988.db2.gz FBKYTMBILWAHOT-OYHNWAKOSA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164727563 720496612 /nfs/dbraw/zinc/49/66/12/720496612.db2.gz NLAPQKYDFWMRNH-HTAPYJJXSA-N 0 0 481.946 4.718 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@H]21)N1CCCCC1 ZINC001164830287 720498074 /nfs/dbraw/zinc/49/80/74/720498074.db2.gz AAWFDXNAVLQBFP-GMBSWORKSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@H]21)N1CCCCC1 ZINC001164831883 720498977 /nfs/dbraw/zinc/49/89/77/720498977.db2.gz HUQHFFAIHDPSRS-UZKOGDIHSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832510 720499306 /nfs/dbraw/zinc/49/93/06/720499306.db2.gz JJDFPZPGCNEEPH-QOKNQOGYSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164832162 720500769 /nfs/dbraw/zinc/50/07/69/720500769.db2.gz IVIVOWJMPIKEPB-GMBSWORKSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164730218 720501093 /nfs/dbraw/zinc/50/10/93/720501093.db2.gz SVISQAURDWRZEG-UTKZUKDTSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164730765 720501605 /nfs/dbraw/zinc/50/16/05/720501605.db2.gz VGEKWLXSAOATQX-UWJYYQICSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164833265 720501645 /nfs/dbraw/zinc/50/16/45/720501645.db2.gz CLIUGHGPCNAKMJ-XEZPLFJOSA-N 0 0 482.786 4.831 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@H]21)N1CCCCC1 ZINC001164840630 720503124 /nfs/dbraw/zinc/50/31/24/720503124.db2.gz XBMSGIAIUYIZKR-DWLFOUALSA-N 0 0 490.982 4.586 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164732008 720504678 /nfs/dbraw/zinc/50/46/78/720504678.db2.gz SCOBDHGUKOSKAT-URXFXBBRSA-N 0 0 499.949 4.669 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733538 720537881 /nfs/dbraw/zinc/53/78/81/720537881.db2.gz CRRZTUUKMGBJBZ-ZHRRBRCNSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734059 720541803 /nfs/dbraw/zinc/54/18/03/720541803.db2.gz GWORGRGFBMNZAN-GAJHUEQPSA-N 0 0 487.938 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN([C@@H](F)Oc1ccc(Cl)nc1)Cc1ccccc12 ZINC001164843086 720744534 /nfs/dbraw/zinc/74/45/34/720744534.db2.gz HXUJUURSAUJIHH-HSZRJFAPSA-N 0 0 455.917 4.650 20 0 JJADRN Cc1cc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)c(Cl)nn1 ZINC001164844909 720745260 /nfs/dbraw/zinc/74/52/60/720745260.db2.gz VFOYCYIYKKWUAV-UHFFFAOYSA-N 0 0 472.923 4.771 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164843107 720746331 /nfs/dbraw/zinc/74/63/31/720746331.db2.gz IQPBZFZQYCIKMW-UHFFFAOYSA-N 0 0 499.974 4.820 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164850485 720755556 /nfs/dbraw/zinc/75/55/56/720755556.db2.gz XALGPKNFSIXGSD-OGHKIJNOSA-N 0 0 481.710 4.830 20 0 JJADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccccc1 ZINC001164846890 720766292 /nfs/dbraw/zinc/76/62/92/720766292.db2.gz KPTLDGZBMZWWSL-MSOLQXFVSA-N 0 0 455.896 4.511 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)nc(Cl)c2c1 ZINC001164848933 720767049 /nfs/dbraw/zinc/76/70/49/720767049.db2.gz RAVJFMSTAUYEPR-RTBURBONSA-N 0 0 458.896 4.611 20 0 JJADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccccc1 ZINC001164851141 720767071 /nfs/dbraw/zinc/76/70/71/720767071.db2.gz YONGSNMWBVYMJP-QZTJIDSGSA-N 0 0 455.896 4.511 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)nc(Cl)c2c1 ZINC001164848930 720767343 /nfs/dbraw/zinc/76/73/43/720767343.db2.gz RAVJFMSTAUYEPR-MOPGFXCFSA-N 0 0 458.896 4.611 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850496 720770135 /nfs/dbraw/zinc/77/01/35/720770135.db2.gz XETMSOUJJSJTKF-UXPWSPDFSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848776 720771202 /nfs/dbraw/zinc/77/12/02/720771202.db2.gz QOQXOHLZWNFVCR-UIFIKXQLSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164851375 720773217 /nfs/dbraw/zinc/77/32/17/720773217.db2.gz ZMRQFAJLXRCFJX-YYWHXJBOSA-N 0 0 460.912 4.566 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164845149 720774263 /nfs/dbraw/zinc/77/42/63/720774263.db2.gz FGDAZBLRQQNVPZ-IKGGRYGDSA-N 0 0 455.958 4.740 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849565 720775613 /nfs/dbraw/zinc/77/56/13/720775613.db2.gz UBQZHLIPHAZLII-VDGAXYAQSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164845682 720778059 /nfs/dbraw/zinc/77/80/59/720778059.db2.gz GDRLSCBOSHKNMA-BSIFCXSSSA-N 0 0 476.911 4.673 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847114 720778452 /nfs/dbraw/zinc/77/84/52/720778452.db2.gz KVLAKXWFFRQCME-AHRSYUTCSA-N 0 0 460.912 4.566 20 0 JJADRN COC[C@]12CCC[C@@H]1CN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164847230 720789394 /nfs/dbraw/zinc/78/93/94/720789394.db2.gz MEDXCUDDJMKFBS-NLSFWIRASA-N 0 0 465.400 4.670 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749787 720806715 /nfs/dbraw/zinc/80/67/15/720806715.db2.gz UODUWPQINVOIDL-RTBURBONSA-N 0 0 492.357 4.732 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2=O)c1 ZINC001164854110 720807081 /nfs/dbraw/zinc/80/70/81/720807081.db2.gz SKULOIZFYBMNFV-NRFANRHFSA-N 0 0 462.953 4.827 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)C2=O)c1 ZINC001164853107 720807298 /nfs/dbraw/zinc/80/72/98/720807298.db2.gz PODDFXZHRFSHOC-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)C2=O)c1 ZINC001164848750 720808026 /nfs/dbraw/zinc/80/80/26/720808026.db2.gz DWMOLFXZIKFATJ-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN([C@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)C2=O)c1 ZINC001164854622 720808495 /nfs/dbraw/zinc/80/84/95/720808495.db2.gz UVXMZWGDMROMFA-IZZNHLLZSA-N 0 0 480.971 4.862 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@]4(CCN(Cc5cccc(C)c5)C4=O)C3)nc(Cl)c2c1 ZINC001164850557 720808596 /nfs/dbraw/zinc/80/85/96/720808596.db2.gz JIMRPONADRZYIZ-XMMPIXPASA-N 0 0 486.950 4.774 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164851932 720813467 /nfs/dbraw/zinc/81/34/67/720813467.db2.gz LVFDGJRJJLAMLV-OXQOHEQNSA-N 0 0 472.898 4.576 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164848057 720813524 /nfs/dbraw/zinc/81/35/24/720813524.db2.gz BULNFBSAOXKDJU-UWJYYQICSA-N 0 0 472.898 4.576 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164850545 720813631 /nfs/dbraw/zinc/81/36/31/720813631.db2.gz JFWGGSOFFYEEGR-UWJYYQICSA-N 0 0 472.898 4.576 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164851216 720814904 /nfs/dbraw/zinc/81/49/04/720814904.db2.gz KGDIZKSXZROHEP-RXVVDRJESA-N 0 0 460.956 4.817 20 0 JJADRN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1)N1CCCO1 ZINC001164846015 720823875 /nfs/dbraw/zinc/82/38/75/720823875.db2.gz CNQMVMIQAWGQSZ-AQNXPRMDSA-N 0 0 498.357 4.891 20 0 JJADRN O=C([C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1)N1CCCO1 ZINC001164846014 720823996 /nfs/dbraw/zinc/82/39/96/720823996.db2.gz CNQMVMIQAWGQSZ-AABGKKOBSA-N 0 0 498.357 4.891 20 0 JJADRN Cc1nc([C@H]2COCCN2[C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)cs1 ZINC001164750205 720863478 /nfs/dbraw/zinc/86/34/78/720863478.db2.gz OREFGQVRZYTUQR-GCJKJVERSA-N 0 0 494.423 4.760 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCOC[C@@H]2c2csc(C)n2)c(Cl)nn1 ZINC001164748145 720865799 /nfs/dbraw/zinc/86/57/99/720865799.db2.gz KOCRITQLGAOWCK-QGZVFWFLSA-N 0 0 452.914 4.693 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)CC1 ZINC001164855872 720894194 /nfs/dbraw/zinc/89/41/94/720894194.db2.gz CZIBSEJXCOTVLM-UHFFFAOYSA-N 0 0 456.924 4.961 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1)c1ccccc1 ZINC001164860688 720898802 /nfs/dbraw/zinc/89/88/02/720898802.db2.gz UPRPGTRZRHPLFI-GAJHUEQPSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1)c1ccccc1 ZINC001164858753 720898809 /nfs/dbraw/zinc/89/88/09/720898809.db2.gz ORYJKNTWTHSBQC-GBXCKJPGSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1)c1ccccc1 ZINC001164863738 720900036 /nfs/dbraw/zinc/90/00/36/720900036.db2.gz YUEKJOSAISSJAK-UUOWRZLLSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1)c1ccccc1 ZINC001164858506 720901063 /nfs/dbraw/zinc/90/10/63/720901063.db2.gz NRGWKFVLTFBOLZ-CPJSRVTESA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1)c1ccccc1 ZINC001164857436 720901698 /nfs/dbraw/zinc/90/16/98/720901698.db2.gz LEIQOSCKMPOFBT-FOIQADDNSA-N 0 0 489.872 4.857 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1)c1ccccc1 ZINC001164855038 720902256 /nfs/dbraw/zinc/90/22/56/720902256.db2.gz HLMSALIJFMOHIK-OFVILXPXSA-N 0 0 498.961 4.900 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164755867 720981513 /nfs/dbraw/zinc/98/15/13/720981513.db2.gz CMDKOPKFVPYMKV-ZDUSSCGKSA-N 0 0 450.839 4.558 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164756365 720984427 /nfs/dbraw/zinc/98/44/27/720984427.db2.gz HHMDTKQCKXDKAO-KRWDZBQOSA-N 0 0 489.954 4.610 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758573 720985409 /nfs/dbraw/zinc/98/54/09/720985409.db2.gz WJARINSLPXJTBW-KRWDZBQOSA-N 0 0 450.961 4.808 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757596 720985532 /nfs/dbraw/zinc/98/55/32/720985532.db2.gz PJMXHHSJHKNQSU-SFHVURJKSA-N 0 0 473.955 4.910 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cnc2Cl)cc1 ZINC001164758690 721009113 /nfs/dbraw/zinc/00/91/13/721009113.db2.gz JFVSZAMPEUKRJJ-VSKRKVRLSA-N 0 0 475.898 4.901 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164759623 721009365 /nfs/dbraw/zinc/00/93/65/721009365.db2.gz MODFTSAFYLYJQU-VABKMULXSA-N 0 0 487.934 4.674 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164759405 721009602 /nfs/dbraw/zinc/00/96/02/721009602.db2.gz MGISWPGMFDWAPD-FSSWDIPSSA-N 0 0 475.898 4.901 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1=O ZINC001164856404 721026397 /nfs/dbraw/zinc/02/63/97/721026397.db2.gz ABHJRXSCJZUGAQ-NRSPTQNISA-N 0 0 477.983 4.781 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)nc(Cl)c2c1 ZINC001164765437 721028106 /nfs/dbraw/zinc/02/81/06/721028106.db2.gz PJVLGTUVQLESDI-JTSKRJEESA-N 0 0 478.902 4.707 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164761538 721029586 /nfs/dbraw/zinc/02/95/86/721029586.db2.gz GHKYVUDFUNVAQT-DENIHFKCSA-N 0 0 460.912 4.568 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164763055 721029786 /nfs/dbraw/zinc/02/97/86/721029786.db2.gz JUJUVIKFEVDCKP-UZLBHIALSA-N 0 0 455.958 4.742 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164767791 721031203 /nfs/dbraw/zinc/03/12/03/721031203.db2.gz TUYMPTYPQBLVQV-HTAPYJJXSA-N 0 0 460.912 4.568 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760810 721031232 /nfs/dbraw/zinc/03/12/32/721031232.db2.gz DMCNFBGUOXGOSN-CUNXSJBXSA-N 0 0 493.677 4.644 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164771245 721031842 /nfs/dbraw/zinc/03/18/42/721031842.db2.gz ZUABNIJPBHNAIG-KXBFYZLASA-N 0 0 460.308 4.553 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164766517 721032535 /nfs/dbraw/zinc/03/25/35/721032535.db2.gz QVYDDMXRSFRKRJ-VQIMIIECSA-N 0 0 460.308 4.553 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)cnc2Cl)cc1 ZINC001164862689 721033332 /nfs/dbraw/zinc/03/33/32/721033332.db2.gz OPRNWHBIVAPWPY-UHFFFAOYSA-N 0 0 472.902 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164861332 721034413 /nfs/dbraw/zinc/03/44/13/721034413.db2.gz GSZBXMCPLSLNTQ-UHFFFAOYSA-N 0 0 460.941 4.512 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)[C@@H]2COCc1ccccc1 ZINC001164771636 721048124 /nfs/dbraw/zinc/04/81/24/721048124.db2.gz NEVKBKNTAWIOBT-OAQYLSRUSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@H]2COCc1ccccc1 ZINC001164773542 721048180 /nfs/dbraw/zinc/04/81/80/721048180.db2.gz SEEJDBPCNJUADA-NRFANRHFSA-N 0 0 484.938 4.760 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001164774809 721051426 /nfs/dbraw/zinc/05/14/26/721051426.db2.gz YMCKSTXEZHWRAA-ZWKOTPCHSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001164769622 721051782 /nfs/dbraw/zinc/05/17/82/721051782.db2.gz JQQFAYGCHQUOSR-ZWKOTPCHSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001164769611 721051966 /nfs/dbraw/zinc/05/19/66/721051966.db2.gz JQQFAYGCHQUOSR-MSOLQXFVSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164771701 721053294 /nfs/dbraw/zinc/05/32/94/721053294.db2.gz NNVBLZZDHLTEHU-ZWKOTPCHSA-N 0 0 478.330 4.565 20 0 JJADRN c1ccc([C@@H]2CO[C@]3(C2)CCCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164765110 721060640 /nfs/dbraw/zinc/06/06/40/721060640.db2.gz CDGCNUAKFWCTGZ-KMRXNPHXSA-N 0 0 490.673 4.555 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164875132 721222774 /nfs/dbraw/zinc/22/27/74/721222774.db2.gz WMYKJDXCVKLWCN-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]32)N=C1C ZINC001164874746 721233343 /nfs/dbraw/zinc/23/33/43/721233343.db2.gz SZDFOHLCNJBKNX-AYPBNUJASA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]32)N=C1C ZINC001164875820 721233522 /nfs/dbraw/zinc/23/35/22/721233522.db2.gz XIIUWZJHUGEGJM-FCORRRHLSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]32)N=C1C ZINC001164875742 721233682 /nfs/dbraw/zinc/23/36/82/721233682.db2.gz WLNNONBFMOTXDH-UTSGNWPNSA-N 0 0 488.966 4.724 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@@H]32)N=C1C ZINC001164872532 721235155 /nfs/dbraw/zinc/23/51/55/721235155.db2.gz MMUGOZXRPIIDMR-HFJQGTKSSA-N 0 0 473.955 4.516 20 0 JJADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164871806 721241864 /nfs/dbraw/zinc/24/18/64/721241864.db2.gz IIYLMCJHOBLSEL-GOSISDBHSA-N 0 0 492.693 4.870 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCn4c(COCC5CC5)cnc4[C@@H]3C)nc(Cl)c2c1 ZINC001164872161 721242759 /nfs/dbraw/zinc/24/27/59/721242759.db2.gz KJIVPGUPVMIJEQ-ZDUSSCGKSA-N 0 0 463.916 4.541 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164874028 721243001 /nfs/dbraw/zinc/24/30/01/721243001.db2.gz SDYLDCKEVDOILO-NPMXOYFQSA-N 0 0 457.937 4.629 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164878884 721248902 /nfs/dbraw/zinc/24/89/02/721248902.db2.gz VWRDGKXJAVFRHD-ZCNNSNEGSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164880116 721250942 /nfs/dbraw/zinc/25/09/42/721250942.db2.gz ZPNMNNJXJVGNNM-HJNYFJLDSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164875047 721251093 /nfs/dbraw/zinc/25/10/93/721251093.db2.gz LPDNMEISTBPZDD-COPCDDAFSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164878225 721252196 /nfs/dbraw/zinc/25/21/96/721252196.db2.gz STIMGRWUEXKMER-NNWRFLSQSA-N 0 0 472.923 4.942 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164879267 721252273 /nfs/dbraw/zinc/25/22/73/721252273.db2.gz XPPAGLFUBILNMQ-CHLMOITFSA-N 0 0 470.932 4.525 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)O1)c1ccccc1 ZINC001164876033 721253918 /nfs/dbraw/zinc/25/39/18/721253918.db2.gz NCPUYFGMIBNYCW-IIBYNOLFSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)O1)c1ccccc1 ZINC001164876062 721254019 /nfs/dbraw/zinc/25/40/19/721254019.db2.gz NJKKUTZVKSJYOD-KKSFZXQISA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)O1)c1ccccc1 ZINC001164876030 721254190 /nfs/dbraw/zinc/25/41/90/721254190.db2.gz NCPUYFGMIBNYCW-HRAATJIYSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)O1)c1ccccc1 ZINC001164876789 721256230 /nfs/dbraw/zinc/25/62/30/721256230.db2.gz PPGMKCAUGPLMOL-DVECYGJZSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)O1)c1ccccc1 ZINC001164876794 721256521 /nfs/dbraw/zinc/25/65/21/721256521.db2.gz PPGMKCAUGPLMOL-YADARESESA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)O1)c1ccccc1 ZINC001164878123 721256904 /nfs/dbraw/zinc/25/69/04/721256904.db2.gz SIQZQUMEMXWXNL-SBUREZEXSA-N 0 0 474.939 4.709 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)O1)c1ccccc1 ZINC001164879274 721257829 /nfs/dbraw/zinc/25/78/29/721257829.db2.gz XPRKZDXGKNAOQK-UUOWRZLLSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)O1)c1ccccc1 ZINC001164878732 721258193 /nfs/dbraw/zinc/25/81/93/721258193.db2.gz UZIHPJAANSBNIK-MBSDFSHPSA-N 0 0 474.939 4.709 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)O1)c1ccccc1 ZINC001164873272 721258741 /nfs/dbraw/zinc/25/87/41/721258741.db2.gz HGXFBMYBCCGCCR-MHECFPHRSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)O1)c1ccccc1 ZINC001164873131 721258896 /nfs/dbraw/zinc/25/88/96/721258896.db2.gz GLLOGOJVHUVJTP-WZONZLPQSA-N 0 0 476.955 4.500 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765411 721271504 /nfs/dbraw/zinc/27/15/04/721271504.db2.gz KVNXIROLNXFQRU-UHFFFAOYSA-N 0 0 467.303 4.883 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770041 721275071 /nfs/dbraw/zinc/27/50/71/721275071.db2.gz SVTUYJXJYODGHJ-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1 ZINC001164874970 721296694 /nfs/dbraw/zinc/29/66/94/721296694.db2.gz FULVCXIVRLDZHN-JXFKEZNVSA-N 0 0 477.964 4.862 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4ccncc4)n2)CCO3)c1 ZINC001164775028 721304928 /nfs/dbraw/zinc/30/49/28/721304928.db2.gz MWZPXIJXHBIVDS-XMMPIXPASA-N 0 0 485.966 4.921 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880297 721311781 /nfs/dbraw/zinc/31/17/81/721311781.db2.gz QGPPXALINQRUSB-JEBQAFNWSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880848 721311936 /nfs/dbraw/zinc/31/19/36/721311936.db2.gz SSPPZMQWUCEBRN-MAODMQOUSA-N 0 0 472.923 4.800 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164878433 721317295 /nfs/dbraw/zinc/31/72/95/721317295.db2.gz OEVJQNCMENZPIS-HXUWFJFHSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164878388 721317768 /nfs/dbraw/zinc/31/77/68/721317768.db2.gz NPUOSIBTIZFEIY-QGZVFWFLSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164880590 721317931 /nfs/dbraw/zinc/31/79/31/721317931.db2.gz YOSHSUOMEYUJCN-MRXNPFEDSA-N 0 0 477.342 4.982 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c2c1C ZINC001164879379 721318673 /nfs/dbraw/zinc/31/86/73/721318673.db2.gz SJNXAKHIZGGAKT-JOCHJYFZSA-N 0 0 489.689 4.794 20 0 JJADRN CCN1CC[C@@]2(CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2C)C1=O ZINC001164779474 721319021 /nfs/dbraw/zinc/31/90/21/721319021.db2.gz YGQPFUUUDGYBJO-YPMLDQLKSA-N 0 0 463.743 4.830 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164775857 721324179 /nfs/dbraw/zinc/32/41/79/721324179.db2.gz AFPFGUKQDPQKGH-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164874680 721328637 /nfs/dbraw/zinc/32/86/37/721328637.db2.gz HHPNNQROVACTMZ-UHFFFAOYSA-N 0 0 481.931 4.556 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2)N1CC=CC1 ZINC001164777376 721328717 /nfs/dbraw/zinc/32/87/17/721328717.db2.gz MONYPQKAJDDDIH-UHFFFAOYSA-N 0 0 475.971 4.788 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164876356 721328884 /nfs/dbraw/zinc/32/88/84/721328884.db2.gz PGZGEVAJAIDENT-JOCHJYFZSA-N 0 0 487.988 4.514 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164875539 721329490 /nfs/dbraw/zinc/32/94/90/721329490.db2.gz MCQWZFXXWQCEBO-UHFFFAOYSA-N 0 0 480.890 4.888 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)cc3Cl)C2)cs1 ZINC001164877937 721330533 /nfs/dbraw/zinc/33/05/33/721330533.db2.gz XVVWZSWFARQMGS-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)ncc3Cl)C2)cs1 ZINC001164877500 721330733 /nfs/dbraw/zinc/33/07/33/721330733.db2.gz UQPHADJOENHLJM-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)cs1 ZINC001164874824 721331137 /nfs/dbraw/zinc/33/11/37/721331137.db2.gz JODONCWHSZPPDX-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)cs1 ZINC001164876701 721331296 /nfs/dbraw/zinc/33/12/96/721331296.db2.gz PMBGNKGVUVSWPN-AWEZNQCLSA-N 0 0 478.956 4.576 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3nc4ccccc4nc3Cl)C2)cs1 ZINC001164873459 721331837 /nfs/dbraw/zinc/33/18/37/721331837.db2.gz CHBVSGCZNRHMJW-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777744 721336657 /nfs/dbraw/zinc/33/66/57/721336657.db2.gz QGAIBXZZTJIUNQ-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777354 721338514 /nfs/dbraw/zinc/33/85/14/721338514.db2.gz MGNZJSOAPXLKTE-RUZDIDTESA-N 0 0 468.001 4.521 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164889272 721346552 /nfs/dbraw/zinc/34/65/52/721346552.db2.gz YYAMOHMZWIJIOP-QPPBQGQZSA-N 0 0 475.967 4.767 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164886948 721353059 /nfs/dbraw/zinc/35/30/59/721353059.db2.gz UIXQITZZLYEUHG-OFNKIYASSA-N 0 0 498.961 4.628 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]2C1 ZINC001164881817 721353151 /nfs/dbraw/zinc/35/31/51/721353151.db2.gz BHOLFNKUQCGGAU-XLIONFOSSA-N 0 0 489.975 4.986 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)N1c1ccsc1 ZINC001164882639 721354384 /nfs/dbraw/zinc/35/43/84/721354384.db2.gz KJBGKBDHQAYKOI-CABCVRRESA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)N1c1ccsc1 ZINC001164882243 721354899 /nfs/dbraw/zinc/35/48/99/721354899.db2.gz IEADRHRLSKRWRS-CABCVRRESA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780239 721357325 /nfs/dbraw/zinc/35/73/25/721357325.db2.gz DOUAWCIUMYPHBU-RUZDIDTESA-N 0 0 470.017 4.624 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885848 721357571 /nfs/dbraw/zinc/35/75/71/721357571.db2.gz ZVVOOLCJKKGQST-RBUKOAKNSA-N 0 0 467.664 4.740 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)N1c1ccsc1 ZINC001164881824 721360206 /nfs/dbraw/zinc/36/02/06/721360206.db2.gz FTSORNTYSJEQSB-QZTJIDSGSA-N 0 0 464.900 4.927 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164881497 721361152 /nfs/dbraw/zinc/36/11/52/721361152.db2.gz CXQGBEPSILIOET-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780105 721367949 /nfs/dbraw/zinc/36/79/49/721367949.db2.gz DHMQOJKQJWCYQW-AREMUKBSSA-N 0 0 482.028 4.829 20 0 JJADRN COCCN1CCN(C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)Cc2cccnc21 ZINC001164889406 721370252 /nfs/dbraw/zinc/37/02/52/721370252.db2.gz ZVLGZBGROCDHBF-UHFFFAOYSA-N 0 0 459.928 4.518 20 0 JJADRN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164786966 721373960 /nfs/dbraw/zinc/37/39/60/721373960.db2.gz VYBQKKWOKAUZIW-VOIUYBSRSA-N 0 0 462.038 4.676 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781775 721376212 /nfs/dbraw/zinc/37/62/12/721376212.db2.gz KCCVEWUJIZNAQW-QFIPXVFZSA-N 0 0 480.987 4.579 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788549 721376938 /nfs/dbraw/zinc/37/69/38/721376938.db2.gz ZUGFUIIBLDUQMI-JOCHJYFZSA-N 0 0 480.987 4.579 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780363 721377044 /nfs/dbraw/zinc/37/70/44/721377044.db2.gz GLOKRGCJXWHGHB-HSZRJFAPSA-N 0 0 480.987 4.881 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779881 721382892 /nfs/dbraw/zinc/38/28/92/721382892.db2.gz CZPKBTMWDVMLGC-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)nc(Cl)c2c1 ZINC001164781422 721384514 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Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CCO3)cs1 ZINC001164787234 721444416 /nfs/dbraw/zinc/44/44/16/721444416.db2.gz WNXRJUTWUPWLDB-OXJNMPFZSA-N 0 0 472.989 4.649 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CCO3)cs1 ZINC001164787230 721444464 /nfs/dbraw/zinc/44/44/64/721444464.db2.gz WNXRJUTWUPWLDB-JXFKEZNVSA-N 0 0 472.989 4.649 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CCO3)cs1 ZINC001164781588 721444617 /nfs/dbraw/zinc/44/46/17/721444617.db2.gz GNGYIWOGTBWTMS-QVKFZJNVSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)COc2cccc(Cl)n2)CCO3)cs1 ZINC001164786561 721444645 /nfs/dbraw/zinc/44/46/45/721444645.db2.gz VRNZQLXSNPCNJA-JXFKEZNVSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CCO3)cs1 ZINC001164780457 721444647 /nfs/dbraw/zinc/44/46/47/721444647.db2.gz AXGLMXFIBYFSCD-VFNWGFHPSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CCO3)cs1 ZINC001164780890 721444869 /nfs/dbraw/zinc/44/48/69/721444869.db2.gz CLUJBVNMXDLBIJ-XOBRGWDASA-N 0 0 483.972 4.513 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CCO3)cs1 ZINC001164780881 721444926 /nfs/dbraw/zinc/44/49/26/721444926.db2.gz CLUJBVNMXDLBIJ-JLTOFOAXSA-N 0 0 483.972 4.513 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164884936 721460152 /nfs/dbraw/zinc/46/01/52/721460152.db2.gz CWAJKRCQPGFMDB-AQNXPRMDSA-N 0 0 453.961 4.590 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1 ZINC001164889694 721460432 /nfs/dbraw/zinc/46/04/32/721460432.db2.gz PGKWBGPZXYUKML-ZCNNSNEGSA-N 0 0 482.358 4.863 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)C2=O)cs1 ZINC001164884278 721460818 /nfs/dbraw/zinc/46/08/18/721460818.db2.gz AFPRBULRPFDBEV-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C3)C2=O)cs1 ZINC001164885550 721461154 /nfs/dbraw/zinc/46/11/54/721461154.db2.gz FMLTUESGOISNDP-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1 ZINC001164888432 721461656 /nfs/dbraw/zinc/46/16/56/721461656.db2.gz MHLJTKMZZNEXPR-LJQANCHMSA-N 0 0 473.014 4.786 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)C2=O)cs1 ZINC001164887005 721462320 /nfs/dbraw/zinc/46/23/20/721462320.db2.gz AWNNJLHPUDNJKZ-OAQYLSRUSA-N 0 0 466.985 4.553 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)CC[C@H]21 ZINC001164891687 721464453 /nfs/dbraw/zinc/46/44/53/721464453.db2.gz NJDZVNNITZTVDY-OXJNMPFZSA-N 0 0 487.982 4.917 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164887645 721469791 /nfs/dbraw/zinc/46/97/91/721469791.db2.gz DMPRFGJDYUEEIM-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC2)C1=O ZINC001164891176 721473150 /nfs/dbraw/zinc/47/31/50/721473150.db2.gz BOZHNPDJQMWZBV-UHFFFAOYSA-N 0 0 462.953 4.691 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164893349 721474864 /nfs/dbraw/zinc/47/48/64/721474864.db2.gz HXCFGYAXWNKVOH-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164788822 721475072 /nfs/dbraw/zinc/47/50/72/721475072.db2.gz LMJGWDWQFPHFGM-UHFFFAOYSA-N 0 0 474.730 4.596 20 0 JJADRN CSc1ccc(C(F)(F)N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1Cl ZINC001164894598 721475262 /nfs/dbraw/zinc/47/52/62/721475262.db2.gz OGXLCCHEUAEVLI-FQEVSTJZSA-N 0 0 452.958 4.558 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCCn4nnc(CNc5cccnc5)c4C3)c(Cl)nn2)cc1 ZINC001164792768 721475379 /nfs/dbraw/zinc/47/53/79/721475379.db2.gz PMUXVTCUTUVCJK-UHFFFAOYSA-N 0 0 496.953 4.659 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)n1 ZINC001164892373 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CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164796230 721506475 /nfs/dbraw/zinc/50/64/75/721506475.db2.gz QFEFFADTUCSHBW-BTYIYWSLSA-N 0 0 451.901 4.537 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805178 721542508 /nfs/dbraw/zinc/54/25/08/721542508.db2.gz LBIKMCGMRPBPRS-AHIWAGSCSA-N 0 0 462.208 4.958 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164798959 721542576 /nfs/dbraw/zinc/54/25/76/721542576.db2.gz AFOQUCUYWGLUQO-XUVXKRRUSA-N 0 0 478.811 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803165 721558382 /nfs/dbraw/zinc/55/83/82/721558382.db2.gz JQNAUHNWCXMKLH-AQNXPRMDSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805684 721567741 /nfs/dbraw/zinc/56/77/41/721567741.db2.gz OKQIAZAAMOXMGE-YPAWHYETSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@H]12 ZINC001164809867 721569249 /nfs/dbraw/zinc/56/92/49/721569249.db2.gz XQAZFIIJVSISSU-VSKRKVRLSA-N 0 0 458.940 4.696 20 0 JJADRN COc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164806657 721576616 /nfs/dbraw/zinc/57/66/16/721576616.db2.gz QOCWXCFPDLRNFD-CUYJMHBOSA-N 0 0 487.629 4.630 20 0 JJADRN COc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164806660 721577127 /nfs/dbraw/zinc/57/71/27/721577127.db2.gz QOCWXCFPDLRNFD-SONWIMMPSA-N 0 0 487.629 4.630 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164901947 721577688 /nfs/dbraw/zinc/57/76/88/721577688.db2.gz HQWZECNQDDQXGR-FQEVSTJZSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2ncc(Cl)nc2c1 ZINC001164902378 721577691 /nfs/dbraw/zinc/57/76/91/721577691.db2.gz KYFBJJGASFZZPM-OAQYLSRUSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)ncnc21 ZINC001164902514 721578220 /nfs/dbraw/zinc/57/82/20/721578220.db2.gz FRYAKBFTYYLGJF-HXUWFJFHSA-N 0 0 491.970 4.592 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164805618 721578215 /nfs/dbraw/zinc/57/82/15/721578215.db2.gz LGZOGKXAZKPJEO-RQTOMXEWSA-N 0 0 498.656 4.505 20 0 JJADRN Cc1sc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808069 721578698 /nfs/dbraw/zinc/57/86/98/721578698.db2.gz PTUOSKRPUMXUEW-WRALFONMSA-N 0 0 471.630 4.930 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164901816 721578726 /nfs/dbraw/zinc/57/87/26/721578726.db2.gz AVHUIWZXCNZQOK-NRFANRHFSA-N 0 0 480.987 4.532 20 0 JJADRN CSCc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810175 721578933 /nfs/dbraw/zinc/57/89/33/721578933.db2.gz UXVFAQBKOHMWMZ-JXALWOEJSA-N 0 0 495.718 4.696 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)c1 ZINC001164905702 721581142 /nfs/dbraw/zinc/58/11/42/721581142.db2.gz VCQWSLONQRXIDU-XMMPIXPASA-N 0 0 485.966 4.921 20 0 JJADRN Cc1ccc(-c2nc3ccccc3c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)s1 ZINC001164810868 721582519 /nfs/dbraw/zinc/58/25/19/721582519.db2.gz WNFJITMEJMAMBJ-LSQMVHIFSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@@H]12 ZINC001164805827 721586762 /nfs/dbraw/zinc/58/67/62/721586762.db2.gz LZBCULMNLSCIPE-YTFSRNRJSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164806254 721589837 /nfs/dbraw/zinc/58/98/37/721589837.db2.gz MPVHZIQOQZMZFN-CEMLEFRQSA-N 0 0 486.403 4.839 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164800183 721593069 /nfs/dbraw/zinc/59/30/69/721593069.db2.gz NLOXWMOKWPBLER-KRWDZBQOSA-N 0 0 479.955 4.980 20 0 JJADRN COc1cc(C(F)(F)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)nc(Cl)n1 ZINC001164797357 721593490 /nfs/dbraw/zinc/59/34/90/721593490.db2.gz GKQYXBMBMHLHFG-INIZCTEOSA-N 0 0 494.970 4.504 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCn3cnc(COCC4CC4)c3C2)c2ccccc21 ZINC001164797786 721599847 /nfs/dbraw/zinc/59/98/47/721599847.db2.gz CEJPWAROMCPTHY-UHFFFAOYSA-N 0 0 498.965 4.977 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCn3cnc(COCC4CC4)c3C2)n1 ZINC001164802840 721600034 /nfs/dbraw/zinc/60/00/34/721600034.db2.gz SOTWJCGNNFHERN-UHFFFAOYSA-N 0 0 474.634 4.563 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)n1 ZINC001164797526 721600427 /nfs/dbraw/zinc/60/04/27/721600427.db2.gz CDMUHZVWGHZBPX-OXJNMPFZSA-N 0 0 454.974 4.924 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164798406 721600607 /nfs/dbraw/zinc/60/06/07/721600607.db2.gz FJZUKFIIWQILLH-SVEHJYQDSA-N 0 0 469.633 4.562 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164801523 721600646 /nfs/dbraw/zinc/60/06/46/721600646.db2.gz OQRXRXJXYWLFST-WMZHIEFXSA-N 0 0 477.987 4.802 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164802941 721600892 /nfs/dbraw/zinc/60/08/92/721600892.db2.gz UGELBDNCZZIMPX-ABYGYWHVSA-N 0 0 469.633 4.562 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164799715 721601307 /nfs/dbraw/zinc/60/13/07/721601307.db2.gz JTCVVNXNLFQKQQ-VGSWGCGISA-N 0 0 459.928 4.750 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164803207 721604059 /nfs/dbraw/zinc/60/40/59/721604059.db2.gz UOAHQEUCPQRLBI-QGZVFWFLSA-N 0 0 462.928 4.858 20 0 JJADRN FC(F)(N1CCC2(CCOC[C@H]2COc2cccnc2)CC1)C1(c2ccc(Cl)nc2)CC1 ZINC001164801264 721604207 /nfs/dbraw/zinc/60/42/07/721604207.db2.gz PINQKHHVCMTRPZ-IBGZPJMESA-N 0 0 463.956 4.952 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164800553 721605515 /nfs/dbraw/zinc/60/55/15/721605515.db2.gz NADAADMGZRHGBI-LJQANCHMSA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164800551 721605538 /nfs/dbraw/zinc/60/55/38/721605538.db2.gz NADAADMGZRHGBI-IBGZPJMESA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164804877 721605666 /nfs/dbraw/zinc/60/56/66/721605666.db2.gz ZWJSOROYWKDNNT-XMMPIXPASA-N 0 0 488.419 4.738 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010918 721691280 /nfs/dbraw/zinc/69/12/80/721691280.db2.gz XVOYEGNTTFVJOG-AOSWFRPUSA-N 0 0 475.927 4.559 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009703 721692222 /nfs/dbraw/zinc/69/22/22/721692222.db2.gz QWEYFSNCENYZOZ-HFXUHXBXSA-N 0 0 476.955 4.653 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)C2 ZINC001165011733 721698964 /nfs/dbraw/zinc/69/89/64/721698964.db2.gz XEDLPXMFRPLMJT-UHFFFAOYSA-N 0 0 479.991 4.931 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001165009523 721699574 /nfs/dbraw/zinc/69/95/74/721699574.db2.gz AECMCUZPDCNXTG-UHFFFAOYSA-N 0 0 453.594 4.653 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)C2 ZINC001165008280 721707790 /nfs/dbraw/zinc/70/77/90/721707790.db2.gz DMQMNOFRGDLEHC-UHFFFAOYSA-N 0 0 462.001 4.792 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001165008615 721717180 /nfs/dbraw/zinc/71/71/80/721717180.db2.gz ISEYFUQYNSYMIK-UHFFFAOYSA-N 0 0 453.594 4.653 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001165008132 721726470 /nfs/dbraw/zinc/72/64/70/721726470.db2.gz JXTHELTVUMYBFX-PPHZAIPVSA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001165009099 721728431 /nfs/dbraw/zinc/72/84/31/721728431.db2.gz UGCINKCDUZTQMQ-NRFANRHFSA-N 0 0 452.908 4.708 20 0 JJADRN COc1cc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc(Cl)n1 ZINC001164910502 721739722 /nfs/dbraw/zinc/73/97/22/721739722.db2.gz FMWNOTDQMPNYRX-GBXCKJPGSA-N 0 0 484.934 4.711 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c(Cl)n1 ZINC001164911226 721740874 /nfs/dbraw/zinc/74/08/74/721740874.db2.gz IWLLXTBAUSVWFB-HYBUGGRVSA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C[C@@H]2c1ccccc1 ZINC001164911811 721742373 /nfs/dbraw/zinc/74/23/73/721742373.db2.gz KMVUKYMONAWATK-NLFFAJNJSA-N 0 0 495.961 4.586 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164911799 721756610 /nfs/dbraw/zinc/75/66/10/721756610.db2.gz ZLYRPPPYWKXZJO-UHFFFAOYSA-N 0 0 482.563 4.801 20 0 JJADRN Cc1ccc(-c2nc3c(ncnc3N3CCc4c(CN(C)Cc5ccco5)cncc4C3)o2)cc1 ZINC001164910921 721762335 /nfs/dbraw/zinc/76/23/35/721762335.db2.gz LYWNTRNUPBJSDD-UHFFFAOYSA-N 0 0 466.545 4.776 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001164910508 721763834 /nfs/dbraw/zinc/76/38/34/721763834.db2.gz HIGBVRWDHDQKRD-UHFFFAOYSA-N 0 0 468.586 4.936 20 0 JJADRN COc1ccc(Oc2cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nc(C)n2)cc1 ZINC001164910570 721764421 /nfs/dbraw/zinc/76/44/21/721764421.db2.gz INBFMBAWDXDGND-UHFFFAOYSA-N 0 0 471.561 4.769 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)[C@@H]2C1 ZINC001165020412 721771462 /nfs/dbraw/zinc/77/14/62/721771462.db2.gz XWNMKNOJCXVGCG-ZWNOBZJWSA-N 0 0 450.700 4.921 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165017144 721772191 /nfs/dbraw/zinc/77/21/91/721772191.db2.gz QWWKCFUMDQRGAC-VQTJNVASSA-N 0 0 479.650 4.628 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165017147 721772290 /nfs/dbraw/zinc/77/22/90/721772290.db2.gz QWWKCFUMDQRGAC-WOJBJXKFSA-N 0 0 479.650 4.628 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001165019581 721772529 /nfs/dbraw/zinc/77/25/29/721772529.db2.gz WOARFWREAAHDLF-LPHOPBHVSA-N 0 0 458.896 4.676 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165018200 721772549 /nfs/dbraw/zinc/77/25/49/721772549.db2.gz UIIKPKZWMZPPNY-FPOVZHCZSA-N 0 0 487.629 4.754 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)[C@H]2C1 ZINC001165019579 721772871 /nfs/dbraw/zinc/77/28/71/721772871.db2.gz WOARFWREAAHDLF-APWZRJJASA-N 0 0 458.896 4.676 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)cc1 ZINC001165016214 721773765 /nfs/dbraw/zinc/77/37/65/721773765.db2.gz OMOVYYOPQKXREB-OXJNMPFZSA-N 0 0 488.922 4.685 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165020144 721779555 /nfs/dbraw/zinc/77/95/55/721779555.db2.gz MSAGKFAIKYJTGI-QYZOEREBSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]2CN1c1cccnc1 ZINC001165025988 721792555 /nfs/dbraw/zinc/79/25/55/721792555.db2.gz XAFQIGIDAKOUEC-KUHUBIRLSA-N 0 0 458.871 4.580 20 0 JJADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164916101 721802255 /nfs/dbraw/zinc/80/22/55/721802255.db2.gz NJSQBGBOXHVPBV-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915778 721803017 /nfs/dbraw/zinc/80/30/17/721803017.db2.gz KZKIPJGIYYJOEL-LJQANCHMSA-N 0 0 498.937 4.936 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915490 721805304 /nfs/dbraw/zinc/80/53/04/721805304.db2.gz KXWPMZFJNPLNPW-FOIQADDNSA-N 0 0 467.303 4.693 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917325 721807080 /nfs/dbraw/zinc/80/70/80/721807080.db2.gz UXYYZCGCWGKVCJ-RLWLMLJZSA-N 0 0 479.650 4.506 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917406 721807169 /nfs/dbraw/zinc/80/71/69/721807169.db2.gz WHSGJVVYMABYQT-MGPUTAFESA-N 0 0 464.925 4.615 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915377 721807175 /nfs/dbraw/zinc/80/71/75/721807175.db2.gz JJEMXICRNLDUFT-UGKGYDQZSA-N 0 0 458.896 4.554 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164918881 721807959 /nfs/dbraw/zinc/80/79/59/721807959.db2.gz UKZSREBPNWUUQO-WMZHIEFXSA-N 0 0 472.923 4.862 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915536 721809108 /nfs/dbraw/zinc/80/91/08/721809108.db2.gz BPHVRYFSROJKLK-HYSWKAIVSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915535 721809165 /nfs/dbraw/zinc/80/91/65/721809165.db2.gz BPHVRYFSROJKLK-FABXCBLPSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917501 721810023 /nfs/dbraw/zinc/81/00/23/721810023.db2.gz MKNAOTZLVHSFEW-DETPVDSQSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164919158 721810466 /nfs/dbraw/zinc/81/04/66/721810466.db2.gz VYTSIVZYSBYYDP-CSODHUTKSA-N 0 0 492.979 4.999 20 0 JJADRN Cc1nc(CN2CCOC[C@@]3(CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)CCO3)C2)cs1 ZINC001164921636 721825775 /nfs/dbraw/zinc/82/57/75/721825775.db2.gz BSVWKHVBNQIIJG-SFHVURJKSA-N 0 0 498.263 4.568 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164927191 721835248 /nfs/dbraw/zinc/83/52/48/721835248.db2.gz SSTLKGXFSFSQNT-YCRPNKLZSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164923948 721836107 /nfs/dbraw/zinc/83/61/07/721836107.db2.gz LBGIJYAIHVSUCE-SZNDQCEHSA-N 0 0 495.361 4.536 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921736 721839185 /nfs/dbraw/zinc/83/91/85/721839185.db2.gz FLJGVSZZSFLCGL-YCRPNKLZSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921734 721839222 /nfs/dbraw/zinc/83/92/22/721839222.db2.gz FLJGVSZZSFLCGL-QVKFZJNVSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164922280 721839869 /nfs/dbraw/zinc/83/98/69/721839869.db2.gz GVISDGJTYRLPGT-SGTLLEGYSA-N 0 0 464.727 4.651 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c(Cl)nn1 ZINC001164919629 721841001 /nfs/dbraw/zinc/84/10/01/721841001.db2.gz BPWFYJKPRNSIPB-MWTRTKDXSA-N 0 0 490.913 4.546 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)c(Cl)nn1 ZINC001164919628 721841083 /nfs/dbraw/zinc/84/10/83/721841083.db2.gz BPWFYJKPRNSIPB-HJPURHCSSA-N 0 0 490.913 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164924717 721841098 /nfs/dbraw/zinc/84/10/98/721841098.db2.gz YTVDUKOYMVORDM-CYFREDJKSA-N 0 0 486.950 4.715 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164919308 721841477 /nfs/dbraw/zinc/84/14/77/721841477.db2.gz AGKMSYKXEUHWEK-VGSWGCGISA-N 0 0 461.896 4.605 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc3cnc(Cl)nc3c2)CC1 ZINC001165020276 721842079 /nfs/dbraw/zinc/84/20/79/721842079.db2.gz BPTYYNPYPHQUDX-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN CS(=O)(=O)c1cc(C(F)(F)N2CCC(Oc3ccc(F)cc3Cl)CC2)cnc1Cl ZINC001165033760 721880257 /nfs/dbraw/zinc/88/02/57/721880257.db2.gz VKRWCVGAOUGRLC-UHFFFAOYSA-N 0 0 469.312 4.524 20 0 JJADRN CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164934690 721894563 /nfs/dbraw/zinc/89/45/63/721894563.db2.gz SATVAJZLSWIWSL-HOTGVXAUSA-N 0 0 460.834 4.560 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@H]21)NC1CCC1 ZINC001164933400 721897401 /nfs/dbraw/zinc/89/74/01/721897401.db2.gz LMRBUOYPZWMUMX-AQKFKSFVSA-N 0 0 493.957 4.986 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)c(Cl)nn2)c1 ZINC001164931587 721898083 /nfs/dbraw/zinc/89/80/83/721898083.db2.gz FGOVFATZRLVETC-JUXOCIIHSA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928836 721898280 /nfs/dbraw/zinc/89/82/80/721898280.db2.gz QQRSHBFROUPDMI-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927187 721898782 /nfs/dbraw/zinc/89/87/82/721898782.db2.gz HQLWMRJJXYCOGX-NRFANRHFSA-N 0 0 478.330 4.550 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928420 721899197 /nfs/dbraw/zinc/89/91/97/721899197.db2.gz OACLXJRRXLTWIT-QHCPKHFHSA-N 0 0 469.923 4.688 20 0 JJADRN COc1cc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)cc(Cl)n1 ZINC001164926542 721899383 /nfs/dbraw/zinc/89/93/83/721899383.db2.gz DAYJGKVJLGOIRU-UHFFFAOYSA-N 0 0 473.951 4.846 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc(Cl)n1 ZINC001164927182 721899388 /nfs/dbraw/zinc/89/93/88/721899388.db2.gz HQFZWYUUEWHWKX-UHFFFAOYSA-N 0 0 458.940 4.541 20 0 JJADRN Cc1nc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)nc(Cl)c1C ZINC001164927273 721899629 /nfs/dbraw/zinc/89/96/29/721899629.db2.gz IIQQVAYKZOGNKB-UHFFFAOYSA-N 0 0 472.967 4.849 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCCn3cnc(Cn4cccn4)c3C2)cnc1Cl ZINC001164939505 721915789 /nfs/dbraw/zinc/91/57/89/721915789.db2.gz UKXHBPAMGPQRAP-UHFFFAOYSA-N 0 0 472.902 4.938 20 0 JJADRN O=C(CO[C@H]1CO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1)N1CCCC1 ZINC001164939591 721919831 /nfs/dbraw/zinc/91/98/31/721919831.db2.gz VEKJMFZCQPMVPA-YKSBVNFPSA-N 0 0 498.014 4.704 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164947615 721943532 /nfs/dbraw/zinc/94/35/32/721943532.db2.gz XXEDVDMXSUXKGL-VQTJNVASSA-N 0 0 483.346 4.781 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@@H]21 ZINC001164947864 721945035 /nfs/dbraw/zinc/94/50/35/721945035.db2.gz YISAHVDAKNEQFW-ZEQRLZLVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@@H]21 ZINC001164947795 721949432 /nfs/dbraw/zinc/94/94/32/721949432.db2.gz XYNRBAQUCPHGKT-SVBPBHIXSA-N 0 0 470.573 4.508 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164941761 721949629 /nfs/dbraw/zinc/94/96/29/721949629.db2.gz IMQPTLHJZUVQIG-ZEQRLZLVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164949612 721952090 /nfs/dbraw/zinc/95/20/90/721952090.db2.gz VBRFNPUJQSWYIM-VQTJNVASSA-N 0 0 482.009 4.706 20 0 JJADRN COc1ccc2c(c1)nc(N1C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C1)cc2-c1ccccc1 ZINC001164942357 721956483 /nfs/dbraw/zinc/95/64/83/721956483.db2.gz DUNMQOXHDLBHNG-RRPNLBNLSA-N 0 0 470.573 4.605 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@H]21 ZINC001164950918 721959266 /nfs/dbraw/zinc/95/92/66/721959266.db2.gz XYFRAGGQPMAICI-DHIUTWEWSA-N 0 0 473.602 4.567 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C[C@H]21 ZINC001164949142 721959561 /nfs/dbraw/zinc/95/95/61/721959561.db2.gz UDCHJMKWXMWKIA-KAYWLYCHSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164943274 721959803 /nfs/dbraw/zinc/95/98/03/721959803.db2.gz HJALMUSPIDDJPD-XZOQPEGZSA-N 0 0 487.629 4.930 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164943269 721959878 /nfs/dbraw/zinc/95/98/78/721959878.db2.gz HJALMUSPIDDJPD-DHIUTWEWSA-N 0 0 487.629 4.930 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]21 ZINC001164949036 721960677 /nfs/dbraw/zinc/96/06/77/721960677.db2.gz SRYTYXHDEHCRGW-FGZHOGPDSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]21 ZINC001164949039 721960729 /nfs/dbraw/zinc/96/07/29/721960729.db2.gz SRYTYXHDEHCRGW-VXKWHMMOSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]21 ZINC001164944136 721964497 /nfs/dbraw/zinc/96/44/97/721964497.db2.gz HLXZSTPJNRLHBD-OALUTQOASA-N 0 0 480.968 4.703 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]12 ZINC001164949980 721965441 /nfs/dbraw/zinc/96/54/41/721965441.db2.gz ZPATVJWPVJJWST-JTHBVZDNSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]12 ZINC001164949801 721965600 /nfs/dbraw/zinc/96/56/00/721965600.db2.gz YTDFDSGIWRFVEV-FYYLOGMGSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]12 ZINC001164947889 721966081 /nfs/dbraw/zinc/96/60/81/721966081.db2.gz RXXQXHHNEPTCAR-OFNKIYASSA-N 0 0 474.914 4.736 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]12 ZINC001164947884 721966125 /nfs/dbraw/zinc/96/61/25/721966125.db2.gz RXXQXHHNEPTCAR-NFBKMPQASA-N 0 0 474.914 4.736 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]12 ZINC001164947891 721966285 /nfs/dbraw/zinc/96/62/85/721966285.db2.gz RXXQXHHNEPTCAR-REWPJTCUSA-N 0 0 474.914 4.736 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]12 ZINC001164947149 721966609 /nfs/dbraw/zinc/96/66/09/721966609.db2.gz PUICHEQDDXDLCA-JTHBVZDNSA-N 0 0 456.924 4.597 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)n1 ZINC001164949920 721967313 /nfs/dbraw/zinc/96/73/13/721967313.db2.gz ZITIEPDWXRBJGP-QDPGVEIFSA-N 0 0 491.705 4.919 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]12 ZINC001164949817 721967412 /nfs/dbraw/zinc/96/74/12/721967412.db2.gz YUQDRTPLEYJTBX-ZJSXRUAMSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@H]12 ZINC001164949880 721968088 /nfs/dbraw/zinc/96/80/88/721968088.db2.gz ZFVORDJLBYTUHU-FXAWDEMLSA-N 0 0 456.320 4.582 20 0 JJADRN Cc1ccc(Cl)c(O[C@H]2CCCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C2)c1 ZINC001165050166 721979872 /nfs/dbraw/zinc/97/98/72/721979872.db2.gz QMWVKFYISQAQPA-HNNXBMFYSA-N 0 0 473.351 4.521 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164951252 721981580 /nfs/dbraw/zinc/98/15/80/721981580.db2.gz YPMKSRJVQDQXQC-UHFFFAOYSA-N 0 0 498.414 4.547 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164949761 721998209 /nfs/dbraw/zinc/99/82/09/721998209.db2.gz HBGGXACMUJFEDN-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001164953553 722003650 /nfs/dbraw/zinc/00/36/50/722003650.db2.gz RCSOTBUGGJHFGI-YADHBBJMSA-N 0 0 497.046 4.865 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@H]21 ZINC001164951751 722005607 /nfs/dbraw/zinc/00/56/07/722005607.db2.gz IVBXYOCSROFWFM-HOTGVXAUSA-N 0 0 468.895 4.507 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164949938 722006649 /nfs/dbraw/zinc/00/66/49/722006649.db2.gz AQQSAMMTIUEXON-UHFFFAOYSA-N 0 0 455.940 4.980 20 0 JJADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165055955 722013276 /nfs/dbraw/zinc/01/32/76/722013276.db2.gz OKDKLMAEQVTQGC-UHFFFAOYSA-N 0 0 456.981 4.619 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164958953 722028412 /nfs/dbraw/zinc/02/84/12/722028412.db2.gz HEJZWTSBVNJHOP-GVDBMIGSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164957249 722028536 /nfs/dbraw/zinc/02/85/36/722028536.db2.gz AQJZTRLCKQENEH-SFHLNBCPSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164962668 722028877 /nfs/dbraw/zinc/02/88/77/722028877.db2.gz YQDNZRWVYBDHTC-BRWVUGGUSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164962491 722029253 /nfs/dbraw/zinc/02/92/53/722029253.db2.gz XRJVNNIURIZTSG-QKLQHJQFSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164956733 722029824 /nfs/dbraw/zinc/02/98/24/722029824.db2.gz IPBCTNDZOOCPGR-XUVXKRRUSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c(Cl)nn2)c1 ZINC001164960145 722029959 /nfs/dbraw/zinc/02/99/59/722029959.db2.gz UBZCQAJZZZXXGD-AABGKKOBSA-N 0 0 494.876 4.830 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c(Cl)nn2)c1 ZINC001164960149 722030078 /nfs/dbraw/zinc/03/00/78/722030078.db2.gz UBZCQAJZZZXXGD-AQNXPRMDSA-N 0 0 494.876 4.830 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164956072 722035641 /nfs/dbraw/zinc/03/56/41/722035641.db2.gz BOQUOTVWVWASRE-GCJKJVERSA-N 0 0 474.964 4.936 20 0 JJADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164959407 722039765 /nfs/dbraw/zinc/03/97/65/722039765.db2.gz HTXDJWHRWGNAKI-YPGOJHLTSA-N 0 0 481.691 4.613 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3O2)n1 ZINC001164961145 722042432 /nfs/dbraw/zinc/04/24/32/722042432.db2.gz MROMGYBZQNIEMO-RFUYNDQBSA-N 0 0 464.875 4.614 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@]4(CC(=O)N(c5ccc(C)s5)C4)C3)nc(Cl)c2c1 ZINC001164957347 722044565 /nfs/dbraw/zinc/04/45/65/722044565.db2.gz BHLYFHNEZJXEFQ-OAQYLSRUSA-N 0 0 478.952 4.840 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960809 722049736 /nfs/dbraw/zinc/04/97/36/722049736.db2.gz WYNDPGRHHVRAIF-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccc(F)c(Cl)n2)[C@@H]3C)c1 ZINC001164964390 722062739 /nfs/dbraw/zinc/06/27/39/722062739.db2.gz GDTQOSQDOVQFNP-CQSZACIVSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]3C)c1 ZINC001164966156 722063200 /nfs/dbraw/zinc/06/32/00/722063200.db2.gz OVLFTEXWKAVANQ-LJQANCHMSA-N 0 0 467.017 4.529 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc4c2CCC4)[C@H]3C)c1 ZINC001164965251 722063764 /nfs/dbraw/zinc/06/37/64/722063764.db2.gz JVCJEFVRCHJDPE-INIZCTEOSA-N 0 0 473.955 4.967 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164966656 722065508 /nfs/dbraw/zinc/06/55/08/722065508.db2.gz WMCPQICXBPCINP-ROUUACIJSA-N 0 0 476.936 4.777 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164967478 722078310 /nfs/dbraw/zinc/07/83/10/722078310.db2.gz GELUXGKDFGXKRN-UHFFFAOYSA-N 0 0 477.342 4.941 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164968276 722078342 /nfs/dbraw/zinc/07/83/42/722078342.db2.gz ZDTYPSGEKQOSNK-UHFFFAOYSA-N 0 0 477.342 4.941 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164967978 722078635 /nfs/dbraw/zinc/07/86/35/722078635.db2.gz NSSWBXLSARUSOG-UHFFFAOYSA-N 0 0 486.925 4.940 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968660 722081481 /nfs/dbraw/zinc/08/14/81/722081481.db2.gz CYTXXOLRDKWTMC-XKGZKEIXSA-N 0 0 491.995 4.721 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164970209 722082079 /nfs/dbraw/zinc/08/20/79/722082079.db2.gz OJIMLMQOUMCCLC-FPOVZHCZSA-N 0 0 489.925 4.826 20 0 JJADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(-c3ccc(C(C)C)cc3)nnc1Cl)CCO2 ZINC001164969367 722084213 /nfs/dbraw/zinc/08/42/13/722084213.db2.gz NRWUQBOEGPOWFM-HSZRJFAPSA-N 0 0 478.971 4.683 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001164971510 722084773 /nfs/dbraw/zinc/08/47/73/722084773.db2.gz JCHVEKMICISOHA-CHWSQXEVSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@H]2C1 ZINC001164971503 722085100 /nfs/dbraw/zinc/08/51/00/722085100.db2.gz IYYIMJRBDFEFJN-CHWSQXEVSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@@H]2C1 ZINC001164972637 722085131 /nfs/dbraw/zinc/08/51/31/722085131.db2.gz MDRAGWMSIGLYGB-STQMWFEESA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C[C@H]2C1 ZINC001164972679 722086154 /nfs/dbraw/zinc/08/61/54/722086154.db2.gz MIYDMGLQIDCPFD-MUJYYYPQSA-N 0 0 464.919 4.612 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164980230 722091920 /nfs/dbraw/zinc/09/19/20/722091920.db2.gz LSYVJGIRLKUHIF-YADARESESA-N 0 0 472.992 4.837 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164985739 722097262 /nfs/dbraw/zinc/09/72/62/722097262.db2.gz WKPZEDBIWIWUAP-NJDAHSKKSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]21 ZINC001164981784 722097317 /nfs/dbraw/zinc/09/73/17/722097317.db2.gz OULATQLWWSVZIH-SXWKCWPCSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]21 ZINC001164985821 722097986 /nfs/dbraw/zinc/09/79/86/722097986.db2.gz WZAFUTWOKQLEDP-XQBPLPMBSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]21 ZINC001164979059 722098172 /nfs/dbraw/zinc/09/81/72/722098172.db2.gz GXWRZZWCDYFUEC-ZRCGQRJVSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]21 ZINC001164982089 722098183 /nfs/dbraw/zinc/09/81/83/722098183.db2.gz MTKRIEXNGGTDQZ-JJRVBVJISA-N 0 0 474.861 4.845 20 0 JJADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1=O ZINC001164977434 722163014 /nfs/dbraw/zinc/16/30/14/722163014.db2.gz FKDHSBXZYZOWCN-JOCHJYFZSA-N 0 0 458.871 4.606 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164978274 722164157 /nfs/dbraw/zinc/16/41/57/722164157.db2.gz HHEIUJLMQRYXBI-GCJKJVERSA-N 0 0 470.992 4.610 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164978270 722164275 /nfs/dbraw/zinc/16/42/75/722164275.db2.gz HHEIUJLMQRYXBI-AVRDEDQJSA-N 0 0 470.992 4.610 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164981207 722164668 /nfs/dbraw/zinc/16/46/68/722164668.db2.gz PMFKMAHLXNMYOG-MBSDFSHPSA-N 0 0 499.986 4.576 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164978045 722170338 /nfs/dbraw/zinc/17/03/38/722170338.db2.gz PFCXWKFDRXLTJU-XQBPLPMBSA-N 0 0 460.956 4.976 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)c2c1C ZINC001164974595 722171237 /nfs/dbraw/zinc/17/12/37/722171237.db2.gz GGWWNQOKTRAANV-PLXFJCCSSA-N 0 0 490.673 4.842 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)CC[C@H]32)cs1 ZINC001164985738 722175435 /nfs/dbraw/zinc/17/54/35/722175435.db2.gz IKJUBFJYOSCOSE-IAGOWNOFSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cc(C(C)(C)C)sc54)CC[C@@H]32)cs1 ZINC001164988009 722178615 /nfs/dbraw/zinc/17/86/15/722178615.db2.gz QBHJSXYTRXBDBQ-RBUKOAKNSA-N 0 0 457.669 4.624 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(Cl)cc5nc4Cl)CC[C@H]32)cs1 ZINC001164990932 722179601 /nfs/dbraw/zinc/17/96/01/722179601.db2.gz WURDQDWOFYSMTK-MOPGFXCFSA-N 0 0 464.422 4.571 20 0 JJADRN CSc1ccc(Oc2cc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)ncn2)cc1 ZINC001164987408 722184524 /nfs/dbraw/zinc/18/45/24/722184524.db2.gz HSVJJUUSFMIBSY-FCHUYYIVSA-N 0 0 483.663 4.626 20 0 JJADRN CSc1ccc(Oc2cc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)ncn2)cc1 ZINC001164987411 722184531 /nfs/dbraw/zinc/18/45/31/722184531.db2.gz HSVJJUUSFMIBSY-YADHBBJMSA-N 0 0 483.663 4.626 20 0 JJADRN CCCCOc1cnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c(Cl)c1 ZINC001164992893 722184609 /nfs/dbraw/zinc/18/46/09/722184609.db2.gz XRCADDXCWITQIP-RTWAWAEBSA-N 0 0 451.036 4.549 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164987639 722184798 /nfs/dbraw/zinc/18/47/98/722184798.db2.gz LCXWQCLMSISKBG-ZWKOTPCHSA-N 0 0 475.030 4.637 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164993082 722184901 /nfs/dbraw/zinc/18/49/01/722184901.db2.gz YTVJMIAAJHTSTL-WOJBJXKFSA-N 0 0 457.688 4.706 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)CC[C@@H]32)cs1 ZINC001164993079 722184944 /nfs/dbraw/zinc/18/49/44/722184944.db2.gz YTVJMIAAJHTSTL-PMACEKPBSA-N 0 0 457.688 4.706 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5sc6c(c54)CCCCC6)CC[C@@H]32)cs1 ZINC001164987291 722185255 /nfs/dbraw/zinc/18/52/55/722185255.db2.gz JGWSMQGNYUJCLP-SFTDATJTSA-N 0 0 483.707 4.903 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC[C@H]32)cs1 ZINC001164987381 722185458 /nfs/dbraw/zinc/18/54/58/722185458.db2.gz KCVLMMAVQJPSDF-NHCUHLMSSA-N 0 0 470.042 4.740 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[C@@H]32)cs1 ZINC001164991285 722185762 /nfs/dbraw/zinc/18/57/62/722185762.db2.gz SVIMYKIHJWTDQV-RBBKRZOGSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]32)cs1 ZINC001164992899 722185816 /nfs/dbraw/zinc/18/58/16/722185816.db2.gz XTKLUSVCIPBKFE-CLJLJLNGSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5c(Cl)cccc5nc4Cl)CC[C@@H]32)cs1 ZINC001164987322 722186268 /nfs/dbraw/zinc/18/62/68/722186268.db2.gz JMJGLLSCYCWLAM-ROUUACIJSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)Sc4ccc(Cl)nc4)CC[C@@H]32)cs1 ZINC001164992585 722186580 /nfs/dbraw/zinc/18/65/80/722186580.db2.gz XMHSUPUENSQZEE-IRXDYDNUSA-N 0 0 461.003 4.508 20 0 JJADRN COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164992395 722186806 /nfs/dbraw/zinc/18/68/06/722186806.db2.gz RVDGIOCMKMANOC-VQTJNVASSA-N 0 0 477.005 4.671 20 0 JJADRN COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164988536 722186841 /nfs/dbraw/zinc/18/68/41/722186841.db2.gz MNIQIVROFFNDKK-CTNGQTDRSA-N 0 0 459.015 4.532 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]12 ZINC001164988320 722187032 /nfs/dbraw/zinc/18/70/32/722187032.db2.gz DNSLYNGRLWNKCP-GMAHTHKFSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164990238 722187576 /nfs/dbraw/zinc/18/75/76/722187576.db2.gz KWPQCJYGSOUUQU-INIZCTEOSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)CC2 ZINC001164991408 722187804 /nfs/dbraw/zinc/18/78/04/722187804.db2.gz OYEPAEQYFSXGCL-FQEVSTJZSA-N 0 0 492.998 4.752 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)CC2 ZINC001164990952 722187811 /nfs/dbraw/zinc/18/78/11/722187811.db2.gz NNRKLAXEOLTLJU-FQEVSTJZSA-N 0 0 492.998 4.752 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164990645 722187836 /nfs/dbraw/zinc/18/78/36/722187836.db2.gz MLFXZISHXDEQTD-GOSISDBHSA-N 0 0 496.961 4.582 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC1)C(=O)N2 ZINC001164990072 722187879 /nfs/dbraw/zinc/18/78/79/722187879.db2.gz JTXVHUIDKAXZDP-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994439 722206854 /nfs/dbraw/zinc/20/68/54/722206854.db2.gz HBVSCFHMDALFSR-JOCHJYFZSA-N 0 0 467.919 4.841 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)[C@H]2C1 ZINC001164995777 722216612 /nfs/dbraw/zinc/21/66/12/722216612.db2.gz KOWXKRDWXNHZFG-YSSFQJQWSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cc(-c4ccc(C(C)C)cc4)nnc3Cl)[C@H]2C1 ZINC001164998127 722217233 /nfs/dbraw/zinc/21/72/33/722217233.db2.gz UFDMLGHSEGUEPK-NYVOZVTQSA-N 0 0 492.998 4.974 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)[C@H]2C1 ZINC001164994722 722217432 /nfs/dbraw/zinc/21/74/32/722217432.db2.gz CRMLOFRAUILGQQ-FFZOFVMBSA-N 0 0 455.977 4.836 20 0 JJADRN Cc1nc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)nc(Cl)c1C ZINC001164999518 722220816 /nfs/dbraw/zinc/22/08/16/722220816.db2.gz SSBPFWLZBMPUIV-UHFFFAOYSA-N 0 0 472.967 4.753 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164999438 722221048 /nfs/dbraw/zinc/22/10/48/722221048.db2.gz RCRTYHKLNWFKHK-NDEPHWFRSA-N 0 0 493.655 4.615 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)[C@H]1Cc1cnn(C)c1 ZINC001164997994 722223379 /nfs/dbraw/zinc/22/33/79/722223379.db2.gz FZDGJNLOIVQCCF-VQTJNVASSA-N 0 0 485.362 4.673 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)[C@@H]1Cc1cnn(C)c1 ZINC001164997993 722223403 /nfs/dbraw/zinc/22/34/03/722223403.db2.gz FZDGJNLOIVQCCF-UXHICEINSA-N 0 0 485.362 4.673 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@H]1Cc1cnn(C)c1 ZINC001165001350 722225716 /nfs/dbraw/zinc/22/57/16/722225716.db2.gz ZQFDHLFUKKXIED-OALUTQOASA-N 0 0 482.984 4.595 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001165000478 722226349 /nfs/dbraw/zinc/22/63/49/722226349.db2.gz SKSQWCBLWAFXBF-INIZCTEOSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164998695 722226740 /nfs/dbraw/zinc/22/67/40/722226740.db2.gz DKOLIOUMMBUMFV-INIZCTEOSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)n1 ZINC001164999664 722227286 /nfs/dbraw/zinc/22/72/86/722227286.db2.gz NYYIBRLGTNCTHW-LJQANCHMSA-N 0 0 474.943 4.556 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001165000707 722247718 /nfs/dbraw/zinc/24/77/18/722247718.db2.gz JRBXSFGFSCTBCX-UHFFFAOYSA-N 0 0 482.878 4.540 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001165001792 722247903 /nfs/dbraw/zinc/24/79/03/722247903.db2.gz VCWKTKVRJASUSD-UHFFFAOYSA-N 0 0 491.285 4.680 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001165001677 722248723 /nfs/dbraw/zinc/24/87/23/722248723.db2.gz SAJICKMDRRYYDV-UHFFFAOYSA-N 0 0 471.851 4.738 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cccc3c(Cl)nccc31)CCO2 ZINC001164999799 722249697 /nfs/dbraw/zinc/24/96/97/722249697.db2.gz CJLSAKPOEWQKBJ-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CN(Cc2ccccc2)CC3)cc1 ZINC001165007459 722271340 /nfs/dbraw/zinc/27/13/40/722271340.db2.gz WOTFPODSTOMLSM-NSOVKSMOSA-N 0 0 454.618 4.652 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165007278 722272310 /nfs/dbraw/zinc/27/23/10/722272310.db2.gz UQLIQUDJTVALFJ-SJORKVTESA-N 0 0 464.969 4.987 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)cs1 ZINC001165004874 722272538 /nfs/dbraw/zinc/27/25/38/722272538.db2.gz DFSMNGSNLADMPQ-KRWDZBQOSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)cs1 ZINC001165005704 722272990 /nfs/dbraw/zinc/27/29/90/722272990.db2.gz IXYHLWSRZKRIPD-INIZCTEOSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CC3)cs1 ZINC001165010019 722273289 /nfs/dbraw/zinc/27/32/89/722273289.db2.gz SRDDKCXZAJUDRT-GOSISDBHSA-N 0 0 469.985 4.965 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001165009603 722273350 /nfs/dbraw/zinc/27/33/50/722273350.db2.gz QEVRNVPNVIEXQG-MRXNPFEDSA-N 0 0 478.829 4.808 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008425 722273416 /nfs/dbraw/zinc/27/34/16/722273416.db2.gz JABPFOQGIQAARQ-ZOUOIUENSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008422 722273452 /nfs/dbraw/zinc/27/34/52/722273452.db2.gz JABPFOQGIQAARQ-VVWXKSFDSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165011212 722274306 /nfs/dbraw/zinc/27/43/06/722274306.db2.gz ZCQSNEVZGFVTDU-JOTOCRJQSA-N 0 0 471.335 4.731 20 0 JJADRN Cc1cccc(C(=O)Nc2cncc(Cl)c2Br)c1I ZINC001459989715 1067517005 /nfs/dbraw/zinc/51/70/05/1067517005.db2.gz ZPOTXEWMWGPVPK-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1ccc(Cl)cc1OC ZINC001545850074 1064261212 /nfs/dbraw/zinc/26/12/12/1064261212.db2.gz YSZLYZCYSFAGMN-DQLDELGASA-N 0 0 474.049 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H]1SCCc2ccccc21 ZINC001545850138 1064261297 /nfs/dbraw/zinc/26/12/97/1064261297.db2.gz ZYXZUKLNNZUZDE-HMFYCAOWSA-N 0 0 455.672 4.852 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359713219 1064261523 /nfs/dbraw/zinc/26/15/23/1064261523.db2.gz CRJBPEAPPTYIJW-UHFFFAOYSA-N 0 0 481.685 4.994 20 0 JJADRN CC(C)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CCCS(=O)(=O)c1ccccc1 ZINC001359713070 1064261610 /nfs/dbraw/zinc/26/16/10/1064261610.db2.gz VXNQSLPHVGPVPA-LJQANCHMSA-N 0 0 458.653 4.539 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCc1ccc(Cl)s1 ZINC001359713550 1064261785 /nfs/dbraw/zinc/26/17/85/1064261785.db2.gz QHNYWKNORQQFPL-UHFFFAOYSA-N 0 0 478.449 4.975 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359713563 1064261875 /nfs/dbraw/zinc/26/18/75/1064261875.db2.gz QLUHWJFPICDCKL-SFHVURJKSA-N 0 0 465.976 4.843 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359713575 1064261963 /nfs/dbraw/zinc/26/19/63/1064261963.db2.gz QUVAYXHIIOKCJM-SFHVURJKSA-N 0 0 463.548 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001545852325 1064262379 /nfs/dbraw/zinc/26/23/79/1064262379.db2.gz RGSSRNJRPXLBDL-UGKGYDQZSA-N 0 0 455.647 4.989 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCCN(C)c1ccccc1F ZINC001359714241 1064262434 /nfs/dbraw/zinc/26/24/34/1064262434.db2.gz PJUAJRLPTJPXDS-UHFFFAOYSA-N 0 0 484.664 4.686 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1Cc1ccccc1C(F)(F)F ZINC001359713766 1064262458 /nfs/dbraw/zinc/26/24/58/1064262458.db2.gz XOVMOVGSVFYPOE-UHFFFAOYSA-N 0 0 463.548 4.698 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1Cc1cc(F)ccc1F ZINC001545852485 1064262713 /nfs/dbraw/zinc/26/27/13/1064262713.db2.gz UHHHQZJLHAWVQM-QVKFZJNVSA-N 0 0 489.592 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C/C=C/c1ccccc1 ZINC001545852423 1064262723 /nfs/dbraw/zinc/26/27/23/1064262723.db2.gz SQKYWUKDEAWPIM-ORKFDQGJSA-N 0 0 479.650 4.938 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCn1ccc2ccccc21 ZINC001359714579 1064262817 /nfs/dbraw/zinc/26/28/17/1064262817.db2.gz BOMLVFUQQVHGTO-FQEVSTJZSA-N 0 0 466.630 4.892 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1coc(-c2cccs2)n1 ZINC001359714774 1064262826 /nfs/dbraw/zinc/26/28/26/1064262826.db2.gz HHGNIPAZAYQWCK-MRXNPFEDSA-N 0 0 472.615 4.612 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1ccc(Cl)s1 ZINC001359715005 1064263185 /nfs/dbraw/zinc/26/31/85/1064263185.db2.gz NLPAMZBWMFEETQ-OAHLLOKOSA-N 0 0 454.040 4.805 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccccc1C(F)(F)F ZINC001359715239 1064263248 /nfs/dbraw/zinc/26/32/48/1064263248.db2.gz UUAYKXJBXLDQSR-UHFFFAOYSA-N 0 0 467.536 4.720 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359715143 1064263305 /nfs/dbraw/zinc/26/33/05/1064263305.db2.gz RATBUXKSOVJYIC-WIYYLYMNSA-N 0 0 491.080 4.803 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1c(F)cccc1N1CCCC1 ZINC001359715368 1064263683 /nfs/dbraw/zinc/26/36/83/1064263683.db2.gz YRERGIHNFKXMJT-IBGZPJMESA-N 0 0 486.636 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC[C@@H]1CCCCO1 ZINC001545854243 1064263705 /nfs/dbraw/zinc/26/37/05/1064263705.db2.gz CMHXTHCWJBXPTI-LSWJPFSZSA-N 0 0 453.631 4.538 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359715599 1064263817 /nfs/dbraw/zinc/26/38/17/1064263817.db2.gz FXJFJLKNJFZGBR-CTNGQTDRSA-N 0 0 453.660 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001545855459 1064264167 /nfs/dbraw/zinc/26/41/67/1064264167.db2.gz WIWNXIBYNYEAFQ-HZPDHXFCSA-N 0 0 494.503 4.532 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359715789 1064264683 /nfs/dbraw/zinc/26/46/83/1064264683.db2.gz LQWNANUFWDEMJX-KRWDZBQOSA-N 0 0 498.644 4.506 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3C3(CCC3)C2)n1C[C@H](OC)[C@@H](C)CC ZINC001545856878 1064264960 /nfs/dbraw/zinc/26/49/60/1064264960.db2.gz KEKZXIDJEYMPPU-CVDCTZTESA-N 0 0 467.658 4.700 20 0 JJADRN C[C@@H](CONC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)NC(=O)OC(C)(C)C ZINC001545858040 1064266553 /nfs/dbraw/zinc/26/65/53/1064266553.db2.gz IXSGNKWXQCIRSC-LBPRGKRZSA-N 0 0 456.326 4.755 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001545858770 1064267040 /nfs/dbraw/zinc/26/70/40/1064267040.db2.gz WZSIDMRDVHBSJW-HZPDHXFCSA-N 0 0 458.580 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1Cc1nc(C(F)(F)F)cs1 ZINC001545859056 1064267640 /nfs/dbraw/zinc/26/76/40/1064267640.db2.gz COJWSBCDNIBUCR-HOCLYGCPSA-N 0 0 484.592 4.879 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1Cc1cc(Br)cs1 ZINC001359720622 1064267981 /nfs/dbraw/zinc/26/79/81/1064267981.db2.gz YSHLIZUYFXXODS-UHFFFAOYSA-N 0 0 466.474 4.658 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCc1nc2c(s1)CCCC2 ZINC001545859249 1064268274 /nfs/dbraw/zinc/26/82/74/1064268274.db2.gz IDWKJHDEQZGWCA-UHFFFAOYSA-N 0 0 484.714 4.957 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCOc1ncccc1Cl ZINC001359722676 1064268604 /nfs/dbraw/zinc/26/86/04/1064268604.db2.gz AAPSSFSQEPUQJO-IBGZPJMESA-N 0 0 480.371 4.899 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359721846 1064268655 /nfs/dbraw/zinc/26/86/55/1064268655.db2.gz GMUIAXQXMQNPJV-QGZVFWFLSA-N 0 0 469.508 4.564 20 0 JJADRN COc1ccc2[nH]nc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC001545860447 1064268659 /nfs/dbraw/zinc/26/86/59/1064268659.db2.gz QGIHARCETQBSKJ-MOPGFXCFSA-N 0 0 470.957 4.814 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3cccs3)CC2)n1Cc1c(C)coc1C ZINC001545861169 1064268993 /nfs/dbraw/zinc/26/89/93/1064268993.db2.gz SSACZOQALALLTK-UHFFFAOYSA-N 0 0 483.638 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(Cl)c1C ZINC001545860961 1064269163 /nfs/dbraw/zinc/26/91/63/1064269163.db2.gz LLKMXDKAVKXSMK-UHFFFAOYSA-N 0 0 499.965 4.554 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001359723076 1064269726 /nfs/dbraw/zinc/26/97/26/1064269726.db2.gz JLDISXGBJVAELZ-UXPWSPDFSA-N 0 0 452.521 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCOc1ccc(Cl)cc1 ZINC001545862635 1064270611 /nfs/dbraw/zinc/27/06/11/1064270611.db2.gz OJGXIYLUBPXALB-QGZVFWFLSA-N 0 0 462.038 4.801 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@@H]1CCCS1 ZINC001359723643 1064270742 /nfs/dbraw/zinc/27/07/42/1064270742.db2.gz WCEPKMPOHJZFRD-ROUUACIJSA-N 0 0 451.434 4.638 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1Cc1nccn1C(F)F ZINC001359723419 1064270863 /nfs/dbraw/zinc/27/08/63/1064270863.db2.gz RNGZRQPKDXFJEE-INIZCTEOSA-N 0 0 470.446 4.638 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)c1nccs1 ZINC001359723773 1064271305 /nfs/dbraw/zinc/27/13/05/1064271305.db2.gz YOQITMGMGRVTQR-YJBOKZPZSA-N 0 0 463.554 4.841 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001545863019 1064271455 /nfs/dbraw/zinc/27/14/55/1064271455.db2.gz ZNQXKBQGGWJDRJ-UHFFFAOYSA-N 0 0 450.631 4.907 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC1CCCC1 ZINC001545864332 1064271651 /nfs/dbraw/zinc/27/16/51/1064271651.db2.gz OXGFNARSICMPQC-UHFFFAOYSA-N 0 0 469.474 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCC1(C)CC1 ZINC001545864278 1064271772 /nfs/dbraw/zinc/27/17/72/1064271772.db2.gz NNQUGNHOEAOJAK-QFIPXVFZSA-N 0 0 488.076 4.990 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359725037 1064272386 /nfs/dbraw/zinc/27/23/86/1064272386.db2.gz YXVJQKGXRIOJJA-QGZVFWFLSA-N 0 0 465.545 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccsc1 ZINC001545864497 1064272526 /nfs/dbraw/zinc/27/25/26/1064272526.db2.gz UBFMPQQYOPWZRE-UHFFFAOYSA-N 0 0 483.482 4.627 20 0 JJADRN CC(C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359726236 1064272882 /nfs/dbraw/zinc/27/28/82/1064272882.db2.gz GRZUVSNPKOIWAS-RTBURBONSA-N 0 0 451.681 4.626 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359725052 1064272899 /nfs/dbraw/zinc/27/28/99/1064272899.db2.gz ZMBDOOOUPXWVDA-INIZCTEOSA-N 0 0 492.596 4.778 20 0 JJADRN CC(C)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359726081 1064273030 /nfs/dbraw/zinc/27/30/30/1064273030.db2.gz BNIGKAVLASDXGC-GOSISDBHSA-N 0 0 451.681 4.913 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(COC)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001545865428 1064273239 /nfs/dbraw/zinc/27/32/39/1064273239.db2.gz AWXABCSJNQTDCG-UHFFFAOYSA-N 0 0 481.563 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccc(N2CCCCC2)nc1 ZINC001545865544 1064273651 /nfs/dbraw/zinc/27/36/51/1064273651.db2.gz FGSFOOMUPXCQDU-FQEVSTJZSA-N 0 0 481.689 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001545865528 1064273719 /nfs/dbraw/zinc/27/37/19/1064273719.db2.gz DQVISFXMJQIHED-YADHBBJMSA-N 0 0 481.685 4.878 20 0 JJADRN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[C@@H]1CCCCO1 ZINC001359727265 1064274121 /nfs/dbraw/zinc/27/41/21/1064274121.db2.gz OAUIMMQUKKALHB-ACRUOGEOSA-N 0 0 461.651 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545865803 1064274263 /nfs/dbraw/zinc/27/42/63/1064274263.db2.gz MPPYVVOUXQLVAI-AREMUKBSSA-N 0 0 455.647 4.809 20 0 JJADRN CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCc1csc(C(C)(C)C)n1 ZINC001359728035 1064275394 /nfs/dbraw/zinc/27/53/94/1064275394.db2.gz QBPOTSLTFLLZPW-HDICACEKSA-N 0 0 488.702 4.701 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1F ZINC001359728133 1064275539 /nfs/dbraw/zinc/27/55/39/1064275539.db2.gz UZZUFIISAAXZDH-WIYYLYMNSA-N 0 0 475.584 4.858 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001545865979 1064275648 /nfs/dbraw/zinc/27/56/48/1064275648.db2.gz RHKHQIIUMQIAFQ-JOCHJYFZSA-N 0 0 468.646 4.563 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(Cc4ccsc4)n3CCCC(F)(F)F)CC2)n1 ZINC001359728410 1064275947 /nfs/dbraw/zinc/27/59/47/1064275947.db2.gz COJASKGEYXCGHO-MRXNPFEDSA-N 0 0 497.591 4.663 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(COC)CC2)n1Cc1oc2ccccc2c1C ZINC001545866176 1064276283 /nfs/dbraw/zinc/27/62/83/1064276283.db2.gz XOMVHYCUEQPZFU-UHFFFAOYSA-N 0 0 467.614 4.552 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001545867330 1064276839 /nfs/dbraw/zinc/27/68/39/1064276839.db2.gz ZQXMCMNAUAFPIV-NSHDSACASA-N 0 0 452.324 4.563 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001359728894 1064277072 /nfs/dbraw/zinc/27/70/72/1064277072.db2.gz NVEDUMUYRZONLG-SFHVURJKSA-N 0 0 463.573 4.581 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC(C)(C)C2)C1 ZINC001359728995 1064277862 /nfs/dbraw/zinc/27/78/62/1064277862.db2.gz QAULEUJZCYJRRX-OAQYLSRUSA-N 0 0 473.687 4.504 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001359728906 1064277931 /nfs/dbraw/zinc/27/79/31/1064277931.db2.gz OAVXPMTYPKPPDF-MJGOQNOKSA-N 0 0 466.598 4.656 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(Cl)cc3)CC2)n1 ZINC001359729224 1064278334 /nfs/dbraw/zinc/27/83/34/1064278334.db2.gz VKZUQQHGTXIMDA-SFHVURJKSA-N 0 0 486.064 4.958 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)(C)C)C1 ZINC001359729071 1064278397 /nfs/dbraw/zinc/27/83/97/1064278397.db2.gz RTBFGYRCYKNBHG-INIZCTEOSA-N 0 0 450.002 4.915 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)(C)C)C1 ZINC001359729072 1064278441 /nfs/dbraw/zinc/27/84/41/1064278441.db2.gz RTBFGYRCYKNBHG-MRXNPFEDSA-N 0 0 450.002 4.915 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001359729140 1064278505 /nfs/dbraw/zinc/27/85/05/1064278505.db2.gz SVVXPMBDUVZGAC-KXBFYZLASA-N 0 0 492.437 4.634 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCSC2(C)C)C1 ZINC001359729279 1064279142 /nfs/dbraw/zinc/27/91/42/1064279142.db2.gz WHQXLGMZSGZHGP-WOJBJXKFSA-N 0 0 476.712 4.753 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(C)(C)C)CC2)n1 ZINC001359729342 1064279285 /nfs/dbraw/zinc/27/92/85/1064279285.db2.gz XMSLWXSZUUAJRD-UXHICEINSA-N 0 0 473.666 4.736 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1CCC1=CCc2ccc(OC)cc21 ZINC001545868450 1064279514 /nfs/dbraw/zinc/27/95/14/1064279514.db2.gz QOOREEZLSSFOIM-KOSHJBKYSA-N 0 0 465.642 4.860 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001545868478 1064279893 /nfs/dbraw/zinc/27/98/93/1064279893.db2.gz QVKHIYJGHPBNGD-NHCUHLMSSA-N 0 0 467.658 4.989 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001359729728 1064280358 /nfs/dbraw/zinc/28/03/58/1064280358.db2.gz GLOUSJBMSVILMH-GHTZIAJQSA-N 0 0 482.019 4.827 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C1 ZINC001359729780 1064280453 /nfs/dbraw/zinc/28/04/53/1064280453.db2.gz HBCCCRFTEDAXEF-HNNXBMFYSA-N 0 0 463.449 4.618 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)OC(C)(C)C)C1 ZINC001359729621 1064280532 /nfs/dbraw/zinc/28/05/32/1064280532.db2.gz DTAPYUXGBANDPR-HXUWFJFHSA-N 0 0 464.614 4.890 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001545868931 1064280544 /nfs/dbraw/zinc/28/05/44/1064280544.db2.gz XYOPYIWRCGTUCB-IRFCIJBXSA-N 0 0 490.693 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001545869917 1064281394 /nfs/dbraw/zinc/28/13/94/1064281394.db2.gz BPUOOSUWVTWMCB-RUZDIDTESA-N 0 0 455.672 4.866 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359730310 1064281517 /nfs/dbraw/zinc/28/15/17/1064281517.db2.gz RRHCUPZLSCMHDN-IBGZPJMESA-N 0 0 456.635 4.556 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359730429 1064281555 /nfs/dbraw/zinc/28/15/55/1064281555.db2.gz URCMJYCLDYCYCM-YLJYHZDGSA-N 0 0 485.982 4.734 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1Cc1ccccc1Br ZINC001545870061 1064282134 /nfs/dbraw/zinc/28/21/34/1064282134.db2.gz FPQVXZYFRWFABM-QGZVFWFLSA-N 0 0 486.414 4.594 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCSc1ccc(C)cc1 ZINC001545870158 1064282522 /nfs/dbraw/zinc/28/25/22/1064282522.db2.gz IAAQVMNFTWKTHG-IBGZPJMESA-N 0 0 467.639 4.884 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C1 ZINC001359731035 1064283081 /nfs/dbraw/zinc/28/30/81/1064283081.db2.gz GLCLTCNUFXYFOU-OAQYLSRUSA-N 0 0 476.612 4.853 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CC(C)(C)c1ccccn1 ZINC001545870344 1064283462 /nfs/dbraw/zinc/28/34/62/1064283462.db2.gz MEGHBQDCIIMDHF-NRFANRHFSA-N 0 0 460.626 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1C[C@H](C)c1c(C)noc1C ZINC001545870444 1064284040 /nfs/dbraw/zinc/28/40/40/1064284040.db2.gz OCERNKWLLXBCLV-GWJPWWOOSA-N 0 0 478.641 4.987 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCN(C)CC(F)(F)F)C1 ZINC001359731808 1064284832 /nfs/dbraw/zinc/28/48/32/1064284832.db2.gz SVJFEZIWDHSZIO-GOSISDBHSA-N 0 0 462.564 4.717 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)C1 ZINC001359731900 1064284987 /nfs/dbraw/zinc/28/49/87/1064284987.db2.gz UVDTXNMMOKNBTG-RTWAWAEBSA-N 0 0 475.678 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545870704 1064285174 /nfs/dbraw/zinc/28/51/74/1064285174.db2.gz UDIYQRKFKAZPLG-KCWPFWIISA-N 0 0 467.658 4.928 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C1 ZINC001359731986 1064285731 /nfs/dbraw/zinc/28/57/31/1064285731.db2.gz VXYBAJTYZGPMPT-PBHICJAKSA-N 0 0 471.346 4.651 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001359731972 1064285877 /nfs/dbraw/zinc/28/58/77/1064285877.db2.gz VUHAEUYFWKTQBC-DLBZAZTESA-N 0 0 452.521 4.833 20 0 JJADRN C[C@](O)(CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(F)(F)F ZINC001545871542 1064286399 /nfs/dbraw/zinc/28/63/99/1064286399.db2.gz RHHGWJLXCHYOFL-IBGZPJMESA-N 0 0 453.258 4.707 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1Cc1ccc(C)cc1C ZINC001545871998 1064287047 /nfs/dbraw/zinc/28/70/47/1064287047.db2.gz DTXVPFIKLWGEEJ-OAQYLSRUSA-N 0 0 459.585 4.733 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1Cc1nc(C(C)C)cs1 ZINC001545872338 1064287860 /nfs/dbraw/zinc/28/78/60/1064287860.db2.gz 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OXOOKGRHODLGCM-ZLEIESQFSA-N 0 0 486.726 4.996 20 0 JJADRN CCOc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)c(C(F)(F)F)c1 ZINC001434890287 1064320457 /nfs/dbraw/zinc/32/04/57/1064320457.db2.gz HTFHZHSDABFIDT-UHFFFAOYSA-N 0 0 455.234 4.700 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC001434891414 1064321484 /nfs/dbraw/zinc/32/14/84/1064321484.db2.gz UVEOIWIXBCXNKQ-UHFFFAOYSA-N 0 0 452.898 4.590 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(OC(F)F)c(Br)c2)c1 ZINC001434891346 1064321574 /nfs/dbraw/zinc/32/15/74/1064321574.db2.gz RDISNYGFKQNNFL-UHFFFAOYSA-N 0 0 455.299 4.965 20 0 JJADRN C[C@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)c1ccc(Cl)c(Cl)c1 ZINC001434891130 1064321665 /nfs/dbraw/zinc/32/16/65/1064321665.db2.gz LXADGWZHAGUOMC-ZDUSSCGKSA-N 0 0 457.304 4.683 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NCc2ccccc2)CC1 ZINC001359745984 1064322050 /nfs/dbraw/zinc/32/20/50/1064322050.db2.gz WPMAAQHQOLOCAS-ILBGXUMGSA-N 0 0 481.685 4.776 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001359746042 1064322148 /nfs/dbraw/zinc/32/21/48/1064322148.db2.gz XUELRVIOOANTJY-WOJBJXKFSA-N 0 0 473.628 4.953 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001434893384 1064322214 /nfs/dbraw/zinc/32/22/14/1064322214.db2.gz CWMOOUCWULRSTE-FQEVSTJZSA-N 0 0 459.468 4.606 20 0 JJADRN CCCCOc1ncccc1CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001434892662 1064322298 /nfs/dbraw/zinc/32/22/98/1064322298.db2.gz DJLGXZPTRYEOBF-UHFFFAOYSA-N 0 0 450.379 4.993 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)[C@@H](C)c2ccc(Br)cc2)cc1OC ZINC001434894969 1064323763 /nfs/dbraw/zinc/32/37/63/1064323763.db2.gz STDOBFJSTMFGQA-HNNXBMFYSA-N 0 0 458.356 4.762 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 ZINC001434895715 1064323790 /nfs/dbraw/zinc/32/37/90/1064323790.db2.gz RVLVPECKPBHKSM-UHFFFAOYSA-N 0 0 451.331 4.514 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC[C@H](F)C2)CCO1 ZINC001359746526 1064324225 /nfs/dbraw/zinc/32/42/25/1064324225.db2.gz IEOFUSFTXSXINH-DOXZYTNZSA-N 0 0 469.374 4.846 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCn2cc(Br)cn2)CCS1 ZINC001359746519 1064324324 /nfs/dbraw/zinc/32/43/24/1064324324.db2.gz HWBSKGOEMSXNSW-GOSISDBHSA-N 0 0 495.878 4.836 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001359747095 1064325875 /nfs/dbraw/zinc/32/58/75/1064325875.db2.gz UBGUDPXTBQHOCU-BAGYTPMASA-N 0 0 478.584 4.859 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001359747097 1064325938 /nfs/dbraw/zinc/32/59/38/1064325938.db2.gz UBGUDPXTBQHOCU-HJNYFJLDSA-N 0 0 478.584 4.859 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSC(F)(F)F)CCO1 ZINC001359747127 1064325979 /nfs/dbraw/zinc/32/59/79/1064325979.db2.gz USFBGEBQHJDWPW-HNNXBMFYSA-N 0 0 466.476 4.661 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001359747262 1064326710 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OYUYFNFBJGFLKT-UWJYYQICSA-N 0 0 459.587 4.684 20 0 JJADRN COCCn1ncc2ccc(NC(=O)c3scc(Br)c3Br)cc21 ZINC001434901128 1064329124 /nfs/dbraw/zinc/32/91/24/1064329124.db2.gz PJYJLHDFSHWFTL-UHFFFAOYSA-N 0 0 459.163 4.522 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCS1 ZINC001359747569 1064329743 /nfs/dbraw/zinc/32/97/43/1064329743.db2.gz DTRHRJROFPVXLT-QUCCMNQESA-N 0 0 459.660 4.778 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OC(F)F)c2)CCS1 ZINC001359747606 1064329766 /nfs/dbraw/zinc/32/97/66/1064329766.db2.gz FITBWPAPEVNVQF-MRXNPFEDSA-N 0 0 480.972 4.616 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3scnc3Br)c(C(F)(F)F)c2)n1 ZINC001434901909 1064329815 /nfs/dbraw/zinc/32/98/15/1064329815.db2.gz RSTVIBWZWRTJGC-UHFFFAOYSA-N 0 0 459.291 4.657 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2n1 ZINC001434902978 1064330272 /nfs/dbraw/zinc/33/02/72/1064330272.db2.gz ZQRUWEGYBMBDFR-AOMKIAJQSA-N 0 0 457.361 4.766 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC(F)(F)CO2)CCO1 ZINC001359747868 1064331180 /nfs/dbraw/zinc/33/11/80/1064331180.db2.gz KIDZVINRSUZBFG-YOEHRIQHSA-N 0 0 461.340 4.537 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)(C)C)CCO1 ZINC001359747788 1064331191 /nfs/dbraw/zinc/33/11/91/1064331191.db2.gz INKAJTVPLIWQQP-SFHVURJKSA-N 0 0 469.399 4.523 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)nn2C)cc1OC ZINC001434904252 1064331779 /nfs/dbraw/zinc/33/17/79/1064331779.db2.gz GSLBHAPBTZXTMO-GOSISDBHSA-N 0 0 457.477 4.513 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)C(C)C)CCS1 ZINC001359747995 1064331885 /nfs/dbraw/zinc/33/18/85/1064331885.db2.gz MNGJXJOXDYYCEO-RXVVDRJESA-N 0 0 467.477 4.692 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCC2CCOCC2)CCO1 ZINC001359748104 1064332572 /nfs/dbraw/zinc/33/25/72/1064332572.db2.gz OKMTZCONLWQVNZ-OAQYLSRUSA-N 0 0 477.447 4.776 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001359748304 1064333314 /nfs/dbraw/zinc/33/33/14/1064333314.db2.gz SLTKKQDNMUXHKV-XXBNENTESA-N 0 0 450.986 4.540 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCS2)CCO1 ZINC001359748222 1064333337 /nfs/dbraw/zinc/33/33/37/1064333337.db2.gz RCFPIJYXLBJBHK-GJZGRUSLSA-N 0 0 471.490 4.916 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)CCS1 ZINC001359748275 1064333363 /nfs/dbraw/zinc/33/33/63/1064333363.db2.gz RVVPTKUOTNBAHN-NRFANRHFSA-N 0 0 476.090 4.967 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)cc2s1 ZINC001434906648 1064334074 /nfs/dbraw/zinc/33/40/74/1064334074.db2.gz YNHBSAYOGNFVRU-UHFFFAOYSA-N 0 0 454.552 4.893 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccc(F)cc2)CCS1 ZINC001359748346 1064333962 /nfs/dbraw/zinc/33/39/62/1064333962.db2.gz TUTUBNDTVHBSLN-CVDCTZTESA-N 0 0 476.021 4.618 20 0 JJADRN C[C@@H](CC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(F)c(Br)c1 ZINC001434907482 1064334603 /nfs/dbraw/zinc/33/46/03/1064334603.db2.gz BQHDYSYHKICLTD-AWEZNQCLSA-N 0 0 450.348 4.947 20 0 JJADRN C[C@H](CC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(F)c(Br)c1 ZINC001434907488 1064334725 /nfs/dbraw/zinc/33/47/25/1064334725.db2.gz BQHDYSYHKICLTD-CQSZACIVSA-N 0 0 450.348 4.947 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOc2ncccc2F)CCO1 ZINC001359748471 1064334772 /nfs/dbraw/zinc/33/47/72/1064334772.db2.gz WGRODBXZLCTTJX-JOCHJYFZSA-N 0 0 467.589 4.717 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCCNC(=O)OC(C)(C)C)CCO1 ZINC001359748490 1064334838 /nfs/dbraw/zinc/33/48/38/1064334838.db2.gz WOYFKTJPXIRLBD-QHCPKHFHSA-N 0 0 494.640 4.659 20 0 JJADRN Cc1ccsc1CNC(=O)c1cc(I)cc(Br)c1C ZINC001434909925 1064336180 /nfs/dbraw/zinc/33/61/80/1064336180.db2.gz LOGAIOXMJPISAC-UHFFFAOYSA-N 0 0 450.139 4.662 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC001434910207 1064336279 /nfs/dbraw/zinc/33/62/79/1064336279.db2.gz QVNKODGZYRODLF-UHFFFAOYSA-N 0 0 456.296 4.560 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COC(C)(C)C)c2)CCS1 ZINC001359748619 1064336122 /nfs/dbraw/zinc/33/61/22/1064336122.db2.gz AHECVDCZFYEMCI-JOCHJYFZSA-N 0 0 468.671 4.620 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccn3C)n2CCc2nc(C(F)(F)F)cs2)CCS1 ZINC001359748741 1064336187 /nfs/dbraw/zinc/33/61/87/1064336187.db2.gz CTJHCNLCTGBJQB-HNNXBMFYSA-N 0 0 470.590 4.579 20 0 JJADRN COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001434910796 1064336793 /nfs/dbraw/zinc/33/67/93/1064336793.db2.gz AWIZHYWOTFGRRK-QGZVFWFLSA-N 0 0 457.452 4.951 20 0 JJADRN COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001434910509 1064336979 /nfs/dbraw/zinc/33/69/79/1064336979.db2.gz DRMFSJGQPZXDBX-ZDUSSCGKSA-N 0 0 452.320 4.979 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NC2CCCCC2)CCS1 ZINC001359749185 1064336945 /nfs/dbraw/zinc/33/69/45/1064336945.db2.gz MFKOQSVCPPLHBL-FQEVSTJZSA-N 0 0 462.063 4.625 20 0 JJADRN Cc1nc(C(C)C)ccc1C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001434910429 1064337060 /nfs/dbraw/zinc/33/70/60/1064337060.db2.gz BJWCGTPPSXEGDE-UHFFFAOYSA-N 0 0 457.574 4.691 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)CSc1ccc(Br)cc1C)c1ccc(F)cc1 ZINC001434911351 1064337529 /nfs/dbraw/zinc/33/75/29/1064337529.db2.gz RUTZTASQWMXWAX-QGZVFWFLSA-N 0 0 454.361 4.799 20 0 JJADRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001434911109 1064337758 /nfs/dbraw/zinc/33/77/58/1064337758.db2.gz WGGRQBKOWPKVER-UHFFFAOYSA-N 0 0 455.305 4.776 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359749748 1064337885 /nfs/dbraw/zinc/33/78/85/1064337885.db2.gz YEQFEXSWUGEEDP-HXUWFJFHSA-N 0 0 479.572 4.978 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)C(C)(C)C)CCS1 ZINC001359749585 1064338007 /nfs/dbraw/zinc/33/80/07/1064338007.db2.gz URYDIDVKYMOFJT-GFJKYASSSA-N 0 0 473.712 4.562 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)CCS1 ZINC001359749730 1064338076 /nfs/dbraw/zinc/33/80/76/1064338076.db2.gz XXDSJDXBFJAPMY-HXUWFJFHSA-N 0 0 480.604 4.509 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccsc2Br)CCS1 ZINC001359749960 1064338771 /nfs/dbraw/zinc/33/87/71/1064338771.db2.gz CHBGBKBJUGQWEQ-JKSUJKDBSA-N 0 0 471.490 4.970 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001434912389 1064339134 /nfs/dbraw/zinc/33/91/34/1064339134.db2.gz JKVBRAIHQIULRC-FYYLOGMGSA-N 0 0 454.542 4.848 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001434912398 1064339150 /nfs/dbraw/zinc/33/91/50/1064339150.db2.gz JKVBRAIHQIULRC-JTHBVZDNSA-N 0 0 454.542 4.848 20 0 JJADRN CCOc1c(OC)cc(CNC(=O)[C@H](CC)Cc2cccc(Br)c2)cc1OC ZINC001434913674 1064339906 /nfs/dbraw/zinc/33/99/06/1064339906.db2.gz QYWWSLOBMXKCEJ-QGZVFWFLSA-N 0 0 450.373 4.750 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccsc2)CCS1 ZINC001359751814 1064340298 /nfs/dbraw/zinc/34/02/98/1064340298.db2.gz JVYQMZSIOXLMRO-REWPJTCUSA-N 0 0 478.634 4.694 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CCS1 ZINC001359752687 1064340858 /nfs/dbraw/zinc/34/08/58/1064340858.db2.gz WPJQVRCMXUEFNZ-ACRUOGEOSA-N 0 0 493.718 4.540 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cn(-c3cccc(Cl)c3)nn2)cc1 ZINC001434914349 1064341176 /nfs/dbraw/zinc/34/11/76/1064341176.db2.gz VPPGPAPRNYHJLI-JOCHJYFZSA-N 0 0 450.901 4.782 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CCNC(=O)c2cc3ccccc3[nH]2)cc1 ZINC001434914473 1064341297 /nfs/dbraw/zinc/34/12/97/1064341297.db2.gz WETFOCHAXIBJFJ-XMMPIXPASA-N 0 0 459.521 4.536 20 0 JJADRN CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)C)C1)c1cccnc1 ZINC001359753286 1064342386 /nfs/dbraw/zinc/34/23/86/1064342386.db2.gz GQQSNWXCZACTNT-ZEQRLZLVSA-N 0 0 451.590 4.704 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCc2nccc(C(F)(F)F)n2)CCS1 ZINC001359753548 1064342873 /nfs/dbraw/zinc/34/28/73/1064342873.db2.gz LVDBTXKWPZWKSY-SFHVURJKSA-N 0 0 494.562 4.637 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001434916389 1064343404 /nfs/dbraw/zinc/34/34/04/1064343404.db2.gz UZIMKLSELAOLLV-HFJWLAOPSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(F)c2OC(F)(F)F)cc1NC(=O)CN1CCCCC1 ZINC001434916364 1064343457 /nfs/dbraw/zinc/34/34/57/1064343457.db2.gz VVEUMSMUKTXULZ-UHFFFAOYSA-N 0 0 453.436 4.709 20 0 JJADRN COc1ccc(SCCCC(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1 ZINC001434916580 1064343516 /nfs/dbraw/zinc/34/35/16/1064343516.db2.gz WTYFGTBHXURKOQ-UHFFFAOYSA-N 0 0 455.624 4.939 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)c3cnc(Br)c(OC)c3)c2)cc1 ZINC001434916408 1064343627 /nfs/dbraw/zinc/34/36/27/1064343627.db2.gz HEVLRCVRGALFGS-UHFFFAOYSA-N 0 0 457.324 4.830 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)c2cccc(F)c2)CCS1 ZINC001359753668 1064343809 /nfs/dbraw/zinc/34/38/09/1064343809.db2.gz NNAILUSFLGESAX-QFIPXVFZSA-N 0 0 453.631 4.959 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)c2)CCS1 ZINC001359753842 1064343863 /nfs/dbraw/zinc/34/38/63/1064343863.db2.gz RXODQPBRXBJYRY-HXUWFJFHSA-N 0 0 461.557 4.909 20 0 JJADRN O=C(NC1CC1)c1c(NC(=O)c2cc(F)c(Br)c(Cl)c2)sc2c1CCC2 ZINC001434917309 1064344231 /nfs/dbraw/zinc/34/42/31/1064344231.db2.gz HMPARUSXWYKMOQ-UHFFFAOYSA-N 0 0 457.752 4.936 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001434918561 1064345551 /nfs/dbraw/zinc/34/55/51/1064345551.db2.gz TTWLNSNDFFHOLF-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC001359754686 1064345695 /nfs/dbraw/zinc/34/56/95/1064345695.db2.gz KCDCZXTVDLVMIK-SFTDATJTSA-N 0 0 481.632 4.525 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCc2ccc(Br)s2)CCS1 ZINC001359754821 1064345716 /nfs/dbraw/zinc/34/57/16/1064345716.db2.gz MWBSRIGJWWGLID-INIZCTEOSA-N 0 0 455.491 4.875 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCS1 ZINC001359755090 1064346369 /nfs/dbraw/zinc/34/63/69/1064346369.db2.gz SEUKRUJTCFZXDO-NQIIRXRSSA-N 0 0 499.578 4.600 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)CCO1 ZINC001359755064 1064346470 /nfs/dbraw/zinc/34/64/70/1064346470.db2.gz RPFDLSIMWLFTTG-UXHICEINSA-N 0 0 451.036 4.657 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C[S@@](C)=O)cc2)CCS1 ZINC001359754931 1064346517 /nfs/dbraw/zinc/34/65/17/1064346517.db2.gz OTPJRWFMPVYEPQ-JPZYQRIQSA-N 0 0 460.713 4.515 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)N1Cc2ccccc2C1=O ZINC001434919115 1064346600 /nfs/dbraw/zinc/34/66/00/1064346600.db2.gz IHRNUMUZVSKUSD-HXUWFJFHSA-N 0 0 452.555 4.720 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CC3)n2Cc2cccc(OCC(F)(F)F)c2)CCS1 ZINC001359755116 1064347222 /nfs/dbraw/zinc/34/72/22/1064347222.db2.gz SSKJIZXNTGYTHH-LJQANCHMSA-N 0 0 454.562 4.798 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CCS1 ZINC001359755430 1064348516 /nfs/dbraw/zinc/34/85/16/1064348516.db2.gz ABUITWGEWVKCFG-WIYYLYMNSA-N 0 0 496.146 4.522 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC001359755473 1064348733 /nfs/dbraw/zinc/34/87/33/1064348733.db2.gz ASFLRGFXHCBFKH-HRAATJIYSA-N 0 0 488.405 4.939 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cccs2)CCS1 ZINC001359755501 1064349449 /nfs/dbraw/zinc/34/94/49/1064349449.db2.gz BESWNXYAINVEAC-DSPLJNTKSA-N 0 0 478.728 4.744 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CCO1 ZINC001359755557 1064349462 /nfs/dbraw/zinc/34/94/62/1064349462.db2.gz BXWLOKYALREQAT-IBGZPJMESA-N 0 0 481.453 4.635 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 ZINC001359755689 1064350052 /nfs/dbraw/zinc/35/00/52/1064350052.db2.gz FDUDTEQJKFNGCL-FTRWYGJKSA-N 0 0 497.865 4.895 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 ZINC001359755692 1064350115 /nfs/dbraw/zinc/35/01/15/1064350115.db2.gz FDUDTEQJKFNGCL-YRNRMSPPSA-N 0 0 497.865 4.895 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)C1 ZINC001359755581 1064350145 /nfs/dbraw/zinc/35/01/45/1064350145.db2.gz CDSSPDIBORMCPN-LORQMZNPSA-N 0 0 465.411 4.953 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)C1 ZINC001359755580 1064350258 /nfs/dbraw/zinc/35/02/58/1064350258.db2.gz CDSSPDIBORMCPN-LJEHDCINSA-N 0 0 465.411 4.953 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1 ZINC001359755699 1064350273 /nfs/dbraw/zinc/35/02/73/1064350273.db2.gz FGQOQJQNXMVDGE-PZJWPPBQSA-N 0 0 474.049 4.549 20 0 JJADRN COc1ccc(I)c(NC(=O)c2cc(C)sc2Br)c1 ZINC001434922107 1064350311 /nfs/dbraw/zinc/35/03/11/1064350311.db2.gz XNVDEVCCBFQNAW-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2C(F)(F)F)CCS1 ZINC001359755840 1064351011 /nfs/dbraw/zinc/35/10/11/1064351011.db2.gz HFVLLNYFMNIMII-RTBURBONSA-N 0 0 454.562 4.969 20 0 JJADRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001434923034 1064351309 /nfs/dbraw/zinc/35/13/09/1064351309.db2.gz WJTTXQYXOQBFSE-UHFFFAOYSA-N 0 0 457.527 4.683 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@H]2CCCCO2)CCS1 ZINC001359755898 1064351824 /nfs/dbraw/zinc/35/18/24/1064351824.db2.gz IFQHLUKIYZYVFP-IRLDBZIGSA-N 0 0 462.635 4.923 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CCO1 ZINC001359756160 1064352601 /nfs/dbraw/zinc/35/26/01/1064352601.db2.gz MTLZPUOCCFNBDW-HXUWFJFHSA-N 0 0 452.521 4.683 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CC1 ZINC001434924700 1064352840 /nfs/dbraw/zinc/35/28/40/1064352840.db2.gz NOGZZGZSALRJPO-UHFFFAOYSA-N 0 0 455.824 4.822 20 0 JJADRN CCCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[C@@H](C)C(=O)Nc1ccccc1 ZINC001434925359 1064353763 /nfs/dbraw/zinc/35/37/63/1064353763.db2.gz LJPYXMOSAUHQIJ-KRWDZBQOSA-N 0 0 458.002 4.882 20 0 JJADRN CCCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[C@H](C)C(=O)Nc1ccccc1 ZINC001434925360 1064353833 /nfs/dbraw/zinc/35/38/33/1064353833.db2.gz LJPYXMOSAUHQIJ-QGZVFWFLSA-N 0 0 458.002 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001434926621 1064354366 /nfs/dbraw/zinc/35/43/66/1064354366.db2.gz CWPVIWJNLQCSIC-QGZVFWFLSA-N 0 0 455.521 4.825 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCOC(C)(C)C ZINC001359756656 1064354592 /nfs/dbraw/zinc/35/45/92/1064354592.db2.gz VZVXVONPUFNEKR-UYAOXDASSA-N 0 0 466.573 4.859 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359756696 1064354728 /nfs/dbraw/zinc/35/47/28/1064354728.db2.gz WTTRUVZDGOSSKC-KPFFTGBYSA-N 0 0 477.447 4.772 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1 ZINC001359756857 1064355407 /nfs/dbraw/zinc/35/54/07/1064355407.db2.gz ZKILULLCPRRFLI-CXAGYDPISA-N 0 0 482.473 4.923 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 ZINC001359756871 1064355481 /nfs/dbraw/zinc/35/54/81/1064355481.db2.gz ZMHPZVMLUCEETB-GHTZIAJQSA-N 0 0 470.415 4.800 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)N(CCN1CCOCC1)c1ccccc1 ZINC001434928469 1064355667 /nfs/dbraw/zinc/35/56/67/1064355667.db2.gz JJBGVXPEIGAIKA-UHFFFAOYSA-N 0 0 459.409 4.572 20 0 JJADRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001434928526 1064355681 /nfs/dbraw/zinc/35/56/81/1064355681.db2.gz LNPLYWGURAXIAN-JOCHJYFZSA-N 0 0 451.567 4.826 20 0 JJADRN CCc1cccc(NC(=O)CNC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 ZINC001434928475 1064355724 /nfs/dbraw/zinc/35/57/24/1064355724.db2.gz JNSDHZFLHGLGBH-UHFFFAOYSA-N 0 0 452.938 4.859 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 ZINC001359756923 1064356362 /nfs/dbraw/zinc/35/63/62/1064356362.db2.gz AGHFZBZRTNZOTO-JXFKEZNVSA-N 0 0 459.388 4.998 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 ZINC001359756924 1064356376 /nfs/dbraw/zinc/35/63/76/1064356376.db2.gz AGHFZBZRTNZOTO-OXJNMPFZSA-N 0 0 459.388 4.998 20 0 JJADRN O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2c(Cl)cccc2OCC2CC2)CC1 ZINC001434930025 1064356945 /nfs/dbraw/zinc/35/69/45/1064356945.db2.gz IOZJULLOHWXQNG-UHFFFAOYSA-N 0 0 451.325 4.520 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757511 1064357522 /nfs/dbraw/zinc/35/75/22/1064357522.db2.gz IFCIROYVSVUEDM-AVRDEDQJSA-N 0 0 455.990 4.570 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359757416 1064357661 /nfs/dbraw/zinc/35/76/61/1064357661.db2.gz HJTORTDTKRXLQV-OPYAIIAOSA-N 0 0 450.986 4.662 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC001434931001 1064357749 /nfs/dbraw/zinc/35/77/49/1064357749.db2.gz COZHVAHUACPIDG-HNNXBMFYSA-N 0 0 450.505 4.566 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C ZINC001434931509 1064358335 /nfs/dbraw/zinc/35/83/35/1064358335.db2.gz HVSOGBYGFCRZCH-UDJSKEQPSA-N 0 0 455.599 4.738 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359757662 1064358311 /nfs/dbraw/zinc/35/83/11/1064358311.db2.gz KBKDGHLFRAEYSW-WIYYLYMNSA-N 0 0 462.038 4.839 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)o2)cc1 ZINC001434932921 1064358939 /nfs/dbraw/zinc/35/89/39/1064358939.db2.gz BCZDNPZDOWXVPS-HXUWFJFHSA-N 0 0 455.352 4.963 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 ZINC001359757905 1064358974 /nfs/dbraw/zinc/35/89/74/1064358974.db2.gz MMAPQARQWSEJEW-UKILVPOCSA-N 0 0 464.658 4.809 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359758376 1064359818 /nfs/dbraw/zinc/35/98/18/1064359818.db2.gz SYSYJLUPSHOSSO-LSDHHAIUSA-N 0 0 454.459 4.928 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CCCCO)C1CC1 ZINC001359757922 1064359882 /nfs/dbraw/zinc/35/98/82/1064359882.db2.gz MPUNZSDSFVMZLG-UWJYYQICSA-N 0 0 477.447 4.510 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001434933518 1064359813 /nfs/dbraw/zinc/35/98/13/1064359813.db2.gz RFKPMLMPSUMJOV-RTBURBONSA-N 0 0 451.405 4.860 20 0 JJADRN O=C(Nc1ccccc1NC(=O)C1(F)CCCC1)c1ccccc1I ZINC001434933353 1064359847 /nfs/dbraw/zinc/35/98/47/1064359847.db2.gz XAJFDOYOAZPYPB-UHFFFAOYSA-N 0 0 452.267 4.764 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001434933461 1064359894 /nfs/dbraw/zinc/35/98/94/1064359894.db2.gz RFKPMLMPSUMJOV-MOPGFXCFSA-N 0 0 451.405 4.860 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NCc2c(C)cc(Br)cc2C)s1 ZINC001434933754 1064359911 /nfs/dbraw/zinc/35/99/11/1064359911.db2.gz SPKCNFRTLCUFGC-SFHVURJKSA-N 0 0 459.413 4.664 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359758374 1064359932 /nfs/dbraw/zinc/35/99/32/1064359932.db2.gz SYSYJLUPSHOSSO-GJZGRUSLSA-N 0 0 454.459 4.928 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359758157 1064359948 /nfs/dbraw/zinc/35/99/48/1064359948.db2.gz QPZKFHUMIYDJIX-RTWAWAEBSA-N 0 0 475.678 4.880 20 0 JJADRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001434935060 1064360425 /nfs/dbraw/zinc/36/04/25/1064360425.db2.gz LLTBLSYYJXJZTN-IFMALSPDSA-N 0 0 451.629 4.922 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC001434934722 1064360485 /nfs/dbraw/zinc/36/04/85/1064360485.db2.gz IRLPXYVSBDMKEP-HNNXBMFYSA-N 0 0 459.736 4.677 20 0 JJADRN CCN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434935624 1064361322 /nfs/dbraw/zinc/36/13/22/1064361322.db2.gz BHRNOESQKJNHRQ-UHFFFAOYSA-N 0 0 455.498 4.681 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)ccc1C ZINC001434936412 1064362113 /nfs/dbraw/zinc/36/21/13/1064362113.db2.gz JSBSRXNMVGJNGY-UHFFFAOYSA-N 0 0 457.621 4.634 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](C)Cc3cccc(Br)c3)c(=O)oc2c1 ZINC001434937343 1064362131 /nfs/dbraw/zinc/36/21/31/1064362131.db2.gz GFEIPCAURKXXHQ-OAHLLOKOSA-N 0 0 457.368 4.763 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359759132 1064362111 /nfs/dbraw/zinc/36/21/11/1064362111.db2.gz DGIWMIRVCJHJER-VDKIKQQVSA-N 0 0 497.684 4.618 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759102 1064362201 /nfs/dbraw/zinc/36/22/01/1064362201.db2.gz CWROAPMCVMCUDC-NZQKXSOJSA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001359759271 1064362570 /nfs/dbraw/zinc/36/25/70/1064362570.db2.gz FWZNSJFPMMLBFO-IIBYNOLFSA-N 0 0 483.440 4.840 20 0 JJADRN Cc1nc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)sc1Cc1ccccc1 ZINC001434938220 1064362778 /nfs/dbraw/zinc/36/27/78/1064362778.db2.gz SDKAEJGPIAWJFO-UHFFFAOYSA-N 0 0 459.291 4.809 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359759409 1064363323 /nfs/dbraw/zinc/36/33/23/1064363323.db2.gz HTGGWKZGMWCJAF-ISKFKSNPSA-N 0 0 454.659 4.908 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 ZINC001359759322 1064363396 /nfs/dbraw/zinc/36/33/96/1064363396.db2.gz GOBIFRVLMLNJJH-KNQAVFIVSA-N 0 0 490.048 4.623 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359759516 1064364172 /nfs/dbraw/zinc/36/41/72/1064364172.db2.gz IUPFGOAGRCXSQR-REWPJTCUSA-N 0 0 475.678 4.565 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001359759441 1064364245 /nfs/dbraw/zinc/36/42/45/1064364245.db2.gz IAPJWCAANICRFD-SSTJLMRISA-N 0 0 461.651 4.503 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001434941915 1064364361 /nfs/dbraw/zinc/36/43/61/1064364361.db2.gz DUUUHYCEFAJQRR-OAQYLSRUSA-N 0 0 458.331 4.595 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359759500 1064364357 /nfs/dbraw/zinc/36/43/57/1064364357.db2.gz IOBVSIAZPQIUEQ-YTZAWJCFSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759643 1064364413 /nfs/dbraw/zinc/36/44/13/1064364413.db2.gz KKMMYVRHSNYRAR-RBBKRZOGSA-N 0 0 460.066 4.612 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC2)s1 ZINC001434943782 1064364755 /nfs/dbraw/zinc/36/47/55/1064364755.db2.gz OSTCDBVWHPYEQF-UHFFFAOYSA-N 0 0 457.596 4.747 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001359759688 1064364872 /nfs/dbraw/zinc/36/48/72/1064364872.db2.gz KVJYXFHVAMJTEZ-UWJYYQICSA-N 0 0 452.521 4.539 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1 ZINC001359759742 1064365645 /nfs/dbraw/zinc/36/56/45/1064365645.db2.gz LEHDKHCVVZOPIC-JPYJTQIMSA-N 0 0 487.073 4.754 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)NCCCCOCc1ccccc1 ZINC001434944393 1064365591 /nfs/dbraw/zinc/36/55/91/1064365591.db2.gz LKLUMEDQBAOTGR-UHFFFAOYSA-N 0 0 455.190 4.867 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759726 1064365841 /nfs/dbraw/zinc/36/58/41/1064365841.db2.gz LBSXDUOLOQGZPU-CVDCTZTESA-N 0 0 473.543 4.980 20 0 JJADRN CCc1sc(C(=O)Nc2cc(Cl)ccc2Sc2nnnn2C)cc1Br ZINC001434944828 1064365908 /nfs/dbraw/zinc/36/59/08/1064365908.db2.gz QUYWJZHBJKRKRJ-UHFFFAOYSA-N 0 0 458.794 4.653 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359759810 1064366351 /nfs/dbraw/zinc/36/63/51/1064366351.db2.gz LVVQZBBJCZYORC-QZNHQXDQSA-N 0 0 475.678 4.565 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359759854 1064366408 /nfs/dbraw/zinc/36/64/08/1064366408.db2.gz MCKUCHAMWXWWKN-HXOBKFHXSA-N 0 0 473.980 4.742 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC001434946190 1064366555 /nfs/dbraw/zinc/36/65/55/1064366555.db2.gz XWDBWFSOULINSA-UHFFFAOYSA-N 0 0 459.499 4.844 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC001434946357 1064367248 /nfs/dbraw/zinc/36/72/48/1064367248.db2.gz ZWRVICWUOQEUTA-DYESRHJHSA-N 0 0 459.365 4.561 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359760307 1064367933 /nfs/dbraw/zinc/36/79/33/1064367933.db2.gz RUDQMFMGXNVWBV-UWVAXJGDSA-N 0 0 494.478 4.501 20 0 JJADRN COc1ccc(-c2nc(NC(=O)C=C(c3ccc(Cl)cc3)C(F)(F)F)n[nH]2)c(OC)c1 ZINC001434947744 1064367997 /nfs/dbraw/zinc/36/79/97/1064367997.db2.gz JDXPGTHFYNZNGK-XNTDXEJSSA-N 0 0 452.820 4.727 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1 ZINC001359760399 1064368564 /nfs/dbraw/zinc/36/85/64/1064368564.db2.gz SXYMTMWEFXTKFP-XLIONFOSSA-N 0 0 464.452 4.734 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(Br)cc1 ZINC001434948290 1064368819 /nfs/dbraw/zinc/36/88/19/1064368819.db2.gz RSXSSFFYJOAISA-IBGZPJMESA-N 0 0 456.361 4.920 20 0 JJADRN CCCC[C@@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948747 1064369671 /nfs/dbraw/zinc/36/96/71/1064369671.db2.gz GCVNEGDGXWBSOI-FYYLOGMGSA-N 0 0 453.558 4.606 20 0 JJADRN CCCC[C@@H](NC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950518 1064371257 /nfs/dbraw/zinc/37/12/57/1064371257.db2.gz UBESAPDMMPLLNV-HSZRJFAPSA-N 0 0 455.574 4.897 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001359761160 1064371727 /nfs/dbraw/zinc/37/17/27/1064371727.db2.gz DDAGIIVLLZWHJW-LEEZEASISA-N 0 0 451.615 4.888 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359761453 1064372376 /nfs/dbraw/zinc/37/23/76/1064372376.db2.gz HYSUMPJTACUISW-DYXWJJEUSA-N 0 0 466.548 4.888 20 0 JJADRN C[C@@H](COc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001434951498 1064372719 /nfs/dbraw/zinc/37/27/19/1064372719.db2.gz DEHOLQGNJCUXQG-KXBFYZLASA-N 0 0 452.473 4.855 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359761677 1064373132 /nfs/dbraw/zinc/37/31/32/1064373132.db2.gz KMCBXOMDICATAC-JLMWRMLUSA-N 0 0 458.569 4.527 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)CCSc2ccnc3cc(Cl)ccc32)C2CC2)cc1 ZINC001434954305 1064373358 /nfs/dbraw/zinc/37/33/58/1064373358.db2.gz PQQBZGVCGCTRRL-UHFFFAOYSA-N 0 0 453.995 4.921 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC001434954525 1064373757 /nfs/dbraw/zinc/37/37/57/1064373757.db2.gz MSUJLJRJHVDKET-HNNXBMFYSA-N 0 0 454.368 4.848 20 0 JJADRN C[C@H](CC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccc(F)c(Br)c1 ZINC001434957334 1064374359 /nfs/dbraw/zinc/37/43/59/1064374359.db2.gz VIMKTLBLGPZACV-OAHLLOKOSA-N 0 0 453.396 4.769 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001359762036 1064374298 /nfs/dbraw/zinc/37/42/98/1064374298.db2.gz PCFXVXOLSYYJDT-JTHBVZDNSA-N 0 0 490.714 4.565 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001359762062 1064374325 /nfs/dbraw/zinc/37/43/25/1064374325.db2.gz PJLJOTURRXWNAX-JLMDMGSGSA-N 0 0 489.705 4.936 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359762298 1064375289 /nfs/dbraw/zinc/37/52/89/1064375289.db2.gz SQRYTJJAZJAMLW-REWPJTCUSA-N 0 0 458.622 4.853 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)O[C@H](C)C2 ZINC001434960113 1064375818 /nfs/dbraw/zinc/37/58/18/1064375818.db2.gz ZPLYESMDCFBPRS-MRXNPFEDSA-N 0 0 452.551 4.954 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001359762501 1064375810 /nfs/dbraw/zinc/37/58/10/1064375810.db2.gz VNFOLLHESAAWSE-OFNKIYASSA-N 0 0 452.578 4.740 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nccs1 ZINC001359762425 1064375841 /nfs/dbraw/zinc/37/58/41/1064375841.db2.gz UOSRKTUPEPYYDX-OPAMFIHVSA-N 0 0 461.582 4.691 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1 ZINC001434960545 1064375999 /nfs/dbraw/zinc/37/59/99/1064375999.db2.gz BCTWSBUBZFQQHL-UHFFFAOYSA-N 0 0 453.542 4.754 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359762733 1064376722 /nfs/dbraw/zinc/37/67/22/1064376722.db2.gz YTWHTOZIZRNFJR-MNEFBYGVSA-N 0 0 472.939 4.817 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1)c1cc(F)ccc1F ZINC001434960873 1064376633 /nfs/dbraw/zinc/37/66/33/1064376633.db2.gz KOZPMFSSSQCTGV-FQEVSTJZSA-N 0 0 455.486 4.626 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cc(F)ccc1F ZINC001434960833 1064376784 /nfs/dbraw/zinc/37/67/84/1064376784.db2.gz KIMVAINYKXGWRK-GOSISDBHSA-N 0 0 455.335 4.768 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1)c1cc(F)ccc1F ZINC001434960877 1064376826 /nfs/dbraw/zinc/37/68/26/1064376826.db2.gz KOZPMFSSSQCTGV-HXUWFJFHSA-N 0 0 455.486 4.626 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762870 1064377173 /nfs/dbraw/zinc/37/71/73/1064377173.db2.gz ZZAIKSRULJGVQZ-ZJSXRUAMSA-N 0 0 491.076 4.809 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762958 1064377302 /nfs/dbraw/zinc/37/73/02/1064377302.db2.gz BFVPULDQUCQEDU-AOYPEHQESA-N 0 0 484.685 4.740 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(Sc2ccccc2)CCCC1 ZINC001434962349 1064377416 /nfs/dbraw/zinc/37/74/16/1064377416.db2.gz NNJBRLNZBOPEIC-UHFFFAOYSA-N 0 0 458.649 4.583 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763148 1064378026 /nfs/dbraw/zinc/37/80/26/1064378026.db2.gz FOUHTBNAPMJHQI-XXBNENTESA-N 0 0 474.621 4.841 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763147 1064378165 /nfs/dbraw/zinc/37/81/65/1064378165.db2.gz FOUHTBNAPMJHQI-WMZHIEFXSA-N 0 0 474.621 4.841 20 0 JJADRN CS(=O)(=O)c1cccc2c1CCCN2C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001434963208 1064378266 /nfs/dbraw/zinc/37/82/66/1064378266.db2.gz CQUMLVJBBVHGLF-UHFFFAOYSA-N 0 0 457.901 4.773 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cccc(Br)c1Cl ZINC001434962224 1064378344 /nfs/dbraw/zinc/37/83/44/1064378344.db2.gz LWDNDHZORGSVCI-QGZVFWFLSA-N 0 0 458.183 4.559 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C3CC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001359762996 1064378250 /nfs/dbraw/zinc/37/82/50/1064378250.db2.gz BTCGTHOSPLTFNM-JOCHJYFZSA-N 0 0 453.631 4.972 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359763220 1064378766 /nfs/dbraw/zinc/37/87/66/1064378766.db2.gz HHGIWDGYHNZVKF-GPXNEJASSA-N 0 0 473.706 4.593 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccnc3)nnc2N(C)CCC(F)(F)F)c1 ZINC001359763457 1064379605 /nfs/dbraw/zinc/37/96/05/1064379605.db2.gz KBOPNYOYIULLJM-UHFFFAOYSA-N 0 0 460.504 4.762 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCOC1 ZINC001359763312 1064379643 /nfs/dbraw/zinc/37/96/43/1064379643.db2.gz IMLYFMZYHDAXCP-HOKHCIIBSA-N 0 0 470.658 4.831 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763393 1064379719 /nfs/dbraw/zinc/37/97/19/1064379719.db2.gz JHPRYPMXIPULRE-WMZHIEFXSA-N 0 0 474.621 4.841 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)c(Br)c1 ZINC001434964533 1064379652 /nfs/dbraw/zinc/37/96/52/1064379652.db2.gz YQDOSXBQMGEWCO-SFHVURJKSA-N 0 0 458.183 4.559 20 0 JJADRN CCC1(C(=O)Nc2cccc(COCCOC(C)C)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001434964330 1064379707 /nfs/dbraw/zinc/37/97/07/1064379707.db2.gz WYYAWXLAJJELBF-UHFFFAOYSA-N 0 0 452.595 4.899 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccccc1 ZINC001434964385 1064379945 /nfs/dbraw/zinc/37/99/45/1064379945.db2.gz MAGBDJOXXPAQRM-ALKREAHSSA-N 0 0 451.311 4.913 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br ZINC001359763641 1064380356 /nfs/dbraw/zinc/38/03/56/1064380356.db2.gz NNJAPXNKQGFHCK-AUUYWEPGSA-N 0 0 477.382 4.775 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001359763763 1064380828 /nfs/dbraw/zinc/38/08/28/1064380828.db2.gz PTBSOJGDNPADHV-SSPYTLHUSA-N 0 0 493.618 4.587 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359763760 1064380845 /nfs/dbraw/zinc/38/08/45/1064380845.db2.gz PTBSOJGDNPADHV-BKULYWANSA-N 0 0 493.618 4.587 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)c1 ZINC001359763788 1064380868 /nfs/dbraw/zinc/38/08/68/1064380868.db2.gz QAYBKFMVUJRVQN-HSZRJFAPSA-N 0 0 478.666 4.951 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001359763879 1064380918 /nfs/dbraw/zinc/38/09/18/1064380918.db2.gz RRIGTUXTZNTYSE-BIRZXAFVSA-N 0 0 462.679 4.652 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001359763880 1064380930 /nfs/dbraw/zinc/38/09/30/1064380930.db2.gz RRIGTUXTZNTYSE-VNXMGFANSA-N 0 0 462.679 4.652 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1=O ZINC001434965938 1064381127 /nfs/dbraw/zinc/38/11/27/1064381127.db2.gz DENOBZKHSLOJSX-OLZOCXBDSA-N 0 0 455.769 4.928 20 0 JJADRN COc1c(Cl)cc(NC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001434966023 1064381143 /nfs/dbraw/zinc/38/11/43/1064381143.db2.gz WBCWCJALIFDCAM-NSHDSACASA-N 0 0 455.342 4.590 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001359763958 1064381803 /nfs/dbraw/zinc/38/18/03/1064381803.db2.gz SRSCCVGUDNWAJY-LNRXMEIDSA-N 0 0 489.705 4.863 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1Oc1ccccc1 ZINC001434966358 1064381948 /nfs/dbraw/zinc/38/19/48/1064381948.db2.gz XCKOKQUQOWMSHE-PXNSSMCTSA-N 0 0 456.589 4.571 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001359764040 1064382411 /nfs/dbraw/zinc/38/24/11/1064382411.db2.gz UDOOSKCSTGAIAB-KWOQKUFVSA-N 0 0 477.049 4.967 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001359764041 1064382491 /nfs/dbraw/zinc/38/24/91/1064382491.db2.gz UDOOSKCSTGAIAB-UCFCWBNQSA-N 0 0 477.049 4.967 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001359764078 1064382504 /nfs/dbraw/zinc/38/25/04/1064382504.db2.gz VBDXFOVPYMRXME-VWNXMTODSA-N 0 0 481.685 4.768 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001359764017 1064382523 /nfs/dbraw/zinc/38/25/23/1064382523.db2.gz TXJFSUKESLOVBD-ISJRUSPKSA-N 0 0 463.022 4.575 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001359764241 1064383122 /nfs/dbraw/zinc/38/31/22/1064383122.db2.gz XSPGIIXCDWDFIF-QHCPKHFHSA-N 0 0 494.684 4.710 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCC(F)(F)F)c1 ZINC001359764444 1064383865 /nfs/dbraw/zinc/38/38/65/1064383865.db2.gz BAYVRUOQZTUFGW-GOSISDBHSA-N 0 0 467.536 4.594 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001434968515 1064384276 /nfs/dbraw/zinc/38/42/76/1064384276.db2.gz SNYMPFCDHVIRCU-HARLFGEKSA-N 0 0 458.961 4.980 20 0 JJADRN Cc1cccc(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)CCCC2)c1 ZINC001434968640 1064384375 /nfs/dbraw/zinc/38/43/75/1064384375.db2.gz RDHMUOHYKKOJMJ-GOSISDBHSA-N 0 0 455.396 4.739 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCOC3(CCCC3)C2)c1 ZINC001359764679 1064384524 /nfs/dbraw/zinc/38/45/24/1064384524.db2.gz HCFXWDWJMRTTLW-UHFFFAOYSA-N 0 0 453.631 4.659 20 0 JJADRN CCC[C@H](NC(=O)c1cc(C)n(C2CCCCC2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434970824 1064385795 /nfs/dbraw/zinc/38/57/95/1064385795.db2.gz UQHLRMFBMKMJJU-QHCPKHFHSA-N 0 0 451.615 4.834 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1NC(=O)OC(C)(C)C ZINC001434971140 1064386537 /nfs/dbraw/zinc/38/65/37/1064386537.db2.gz FEMPMPHTFLTASX-LJQANCHMSA-N 0 0 451.527 4.914 20 0 JJADRN CC(C)[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1nc(-c2cccnc2)no1 ZINC001434972214 1064387270 /nfs/dbraw/zinc/38/72/70/1064387270.db2.gz VFLMOXOOEPTHCQ-HNNXBMFYSA-N 0 0 453.699 4.814 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1nc(-c2cccnc2)no1 ZINC001434972213 1064387323 /nfs/dbraw/zinc/38/73/23/1064387323.db2.gz VAKONTSBJBLGLY-WZONZLPQSA-N 0 0 454.530 4.980 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cnn1-c1ccccc1Cl ZINC001434975437 1064390381 /nfs/dbraw/zinc/39/03/81/1064390381.db2.gz GFGHNSSBQXQNPB-UHFFFAOYSA-N 0 0 454.933 4.718 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434975051 1064390419 /nfs/dbraw/zinc/39/04/19/1064390419.db2.gz PHNAGKBNHMEHCQ-HFZDXXHNSA-N 0 0 453.583 4.770 20 0 JJADRN 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1064395331 /nfs/dbraw/zinc/39/53/31/1064395331.db2.gz UZNFADLFVFMYTJ-UHFFFAOYSA-N 0 0 455.352 4.924 20 0 JJADRN CC(C)(C)OCc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC001434979638 1064396152 /nfs/dbraw/zinc/39/61/52/1064396152.db2.gz ZRLJPCXQDSQAJQ-GOSISDBHSA-N 0 0 454.354 4.930 20 0 JJADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2c(F)ccc(F)c2Cl)CC1 ZINC001434979823 1064396265 /nfs/dbraw/zinc/39/62/65/1064396265.db2.gz XFEQMSWHQYYJFI-UHFFFAOYSA-N 0 0 457.702 4.872 20 0 JJADRN COCc1nc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(-c2ccccc2)s1 ZINC001434979833 1064396430 /nfs/dbraw/zinc/39/64/30/1064396430.db2.gz XFKOTEHMSNEZJO-UHFFFAOYSA-N 0 0 453.539 4.587 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001434980145 1064397125 /nfs/dbraw/zinc/39/71/25/1064397125.db2.gz ZYACFKSZQNHDHE-HNNXBMFYSA-N 0 0 452.448 4.780 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001434982037 1064398970 /nfs/dbraw/zinc/39/89/70/1064398970.db2.gz 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LHNCSCHBYHPANK-INIZCTEOSA-N 0 0 487.620 4.978 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1C[C@H]1CCCc2cccnc21 ZINC001359778575 1064423748 /nfs/dbraw/zinc/42/37/48/1064423748.db2.gz MVGURGPBUGCHOI-XUZZJYLKSA-N 0 0 474.653 4.648 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC(C)(C)c1cccs1 ZINC001359778685 1064423924 /nfs/dbraw/zinc/42/39/24/1064423924.db2.gz PVNYXTITOYTOHV-UHFFFAOYSA-N 0 0 461.582 4.869 20 0 JJADRN CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Br)c1I ZINC001435008273 1064424466 /nfs/dbraw/zinc/42/44/66/1064424466.db2.gz HBQWJDFKUVPGIL-ZDUSSCGKSA-N 0 0 458.137 4.805 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)o1 ZINC001435009846 1064425282 /nfs/dbraw/zinc/42/52/82/1064425282.db2.gz SFACOFGXJARAAJ-ACCUITESSA-N 0 0 455.894 4.507 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001359779318 1064425170 /nfs/dbraw/zinc/42/51/70/1064425170.db2.gz IUEHNILNCVRWSF-UHFFFAOYSA-N 0 0 467.980 4.729 20 0 JJADRN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001435011192 1064426960 /nfs/dbraw/zinc/42/69/60/1064426960.db2.gz CQVLMYSYMBHTMK-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN COc1cc(C(=O)N2CCCc3cc(Br)cc(C)c32)cc(OC)c1OC(F)F ZINC001435011584 1064427098 /nfs/dbraw/zinc/42/70/98/1064427098.db2.gz AYVHCRCUTFLETB-UHFFFAOYSA-N 0 0 456.283 4.969 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001435011766 1064428063 /nfs/dbraw/zinc/42/80/63/1064428063.db2.gz GSFXCFNXEPHPPI-MRXNPFEDSA-N 0 0 457.348 4.835 20 0 JJADRN COC(=O)c1occc1CN(C(=O)[C@H](C)Cc1cncc2ccccc21)[C@@H](C)c1ccccn1 ZINC001435012349 1064428116 /nfs/dbraw/zinc/42/81/16/1064428116.db2.gz ABHLXNXLTLSRHP-MOPGFXCFSA-N 0 0 457.530 4.978 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1cnn(C2CCCCC2)c1C)[C@@H](C)c1ccccn1 ZINC001435012565 1064428582 /nfs/dbraw/zinc/42/85/82/1064428582.db2.gz CYAVDDCBTOJDJY-SFHVURJKSA-N 0 0 450.539 4.875 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCCOC1CCOCC1 ZINC001359780184 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C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001435032643 1064450267 /nfs/dbraw/zinc/45/02/67/1064450267.db2.gz YLIMSDRXKXXWNK-ZDUSSCGKSA-N 0 0 457.760 4.949 20 0 JJADRN CC(=O)c1ccc(OC(=O)c2ccc(Br)cc2I)c(C)c1 ZINC001435035515 1064452479 /nfs/dbraw/zinc/45/24/79/1064452479.db2.gz ZFNRWULMRBKPIN-UHFFFAOYSA-N 0 0 459.077 4.784 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001435038135 1064453728 /nfs/dbraw/zinc/45/37/28/1064453728.db2.gz PNIOTBRWOKHFFP-UHFFFAOYSA-N 0 0 454.506 4.922 20 0 JJADRN CSc1cc(Br)ccc1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC001435037679 1064453751 /nfs/dbraw/zinc/45/37/51/1064453751.db2.gz CTOJZXSPNUNPPE-UHFFFAOYSA-N 0 0 450.398 4.797 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CSCCS1 ZINC001359795685 1064454645 /nfs/dbraw/zinc/45/46/45/1064454645.db2.gz MJTYZWDMDPEBKW-FQEVSTJZSA-N 0 0 462.660 4.564 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2=O)ccc1F ZINC001435038448 1064454624 /nfs/dbraw/zinc/45/46/24/1064454624.db2.gz UNZMNFOWGNNZLV-KRWDZBQOSA-N 0 0 454.448 4.983 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435039061 1064455566 /nfs/dbraw/zinc/45/55/66/1064455566.db2.gz GSXPSPKDGLUCAX-CNBSGPCYSA-N 0 0 464.512 4.941 20 0 JJADRN O=C(Nc1ccnn1Cc1ccccc1F)c1scc(Br)c1Br ZINC001435039611 1064456335 /nfs/dbraw/zinc/45/63/35/1064456335.db2.gz QHOUFFHOCGXNSU-UHFFFAOYSA-N 0 0 459.138 4.909 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359796614 1064456406 /nfs/dbraw/zinc/45/64/06/1064456406.db2.gz FYKOMTMKYSSRSY-HXUWFJFHSA-N 0 0 451.606 4.531 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCc1ccccc1Cl ZINC001359796852 1064457206 /nfs/dbraw/zinc/45/72/06/1064457206.db2.gz MHCRQNHIBYLDGR-UHFFFAOYSA-N 0 0 458.050 4.602 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc1NC(=O)OC(C)(C)C ZINC001435040337 1064457197 /nfs/dbraw/zinc/45/71/97/1064457197.db2.gz VCDDZSMNURBTQJ-UHFFFAOYSA-N 0 0 454.567 4.968 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359796877 1064457215 /nfs/dbraw/zinc/45/72/15/1064457215.db2.gz NCHLZXYJYIGGIC-UHFFFAOYSA-N 0 0 489.592 4.725 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359796919 1064457948 /nfs/dbraw/zinc/45/79/48/1064457948.db2.gz OWKPGDBGHLSLND-UHFFFAOYSA-N 0 0 486.730 4.702 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCc1ccc(Cl)s1 ZINC001359796938 1064458013 /nfs/dbraw/zinc/45/80/13/1064458013.db2.gz PFKPZEBFSKASTO-SFHVURJKSA-N 0 0 478.106 4.909 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001359797267 1064458810 /nfs/dbraw/zinc/45/88/10/1064458810.db2.gz ZMZNQJUHZUVFMJ-UHFFFAOYSA-N 0 0 464.614 4.666 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1C[C@@H](C)c1nccs1 ZINC001359797195 1064458976 /nfs/dbraw/zinc/45/89/76/1064458976.db2.gz XEMPNNWYXHTRDY-MRXNPFEDSA-N 0 0 488.061 4.640 20 0 JJADRN CC(=O)NCc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1 ZINC001435042668 1064459131 /nfs/dbraw/zinc/45/91/31/1064459131.db2.gz DVYPUHMEYILUNO-UHFFFAOYSA-N 0 0 450.848 4.648 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC001435042763 1064459146 /nfs/dbraw/zinc/45/91/46/1064459146.db2.gz AVMCMCSJKKZSMX-UHFFFAOYSA-N 0 0 456.572 4.929 20 0 JJADRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001435043202 1064459954 /nfs/dbraw/zinc/45/99/54/1064459954.db2.gz PWKLIKLUYGCAPU-UGKGYDQZSA-N 0 0 458.624 4.917 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1nnn(-c2ccccc2Br)c1C ZINC001435043498 1064459976 /nfs/dbraw/zinc/45/99/76/1064459976.db2.gz GKANTNMBNQEWTO-SFHVURJKSA-N 0 0 455.356 4.714 20 0 JJADRN COc1cc(C)c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1OC ZINC001359797841 1064460751 /nfs/dbraw/zinc/46/07/51/1064460751.db2.gz PRARYWSAPRNIAA-GJZGRUSLSA-N 0 0 452.473 4.897 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2cc(Br)c3nccnc3c2)n(-c2ccccn2)n1 ZINC001435043976 1064460774 /nfs/dbraw/zinc/46/07/74/1064460774.db2.gz JCGIDXCLNYHPEP-UHFFFAOYSA-N 0 0 451.328 4.523 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1F ZINC001359797935 1064460858 /nfs/dbraw/zinc/46/08/58/1064460858.db2.gz BOCPISLOIBESSY-ICSRJNTNSA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccc2c(c1)OCO2 ZINC001359798322 1064461411 /nfs/dbraw/zinc/46/14/11/1064461411.db2.gz HOTLELQHSVPXFV-UHFFFAOYSA-N 0 0 464.410 4.575 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435045465 1064461951 /nfs/dbraw/zinc/46/19/51/1064461951.db2.gz DPCCOBJGEMTWJA-UWJYYQICSA-N 0 0 456.464 4.839 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001435046177 1064462902 /nfs/dbraw/zinc/46/29/02/1064462902.db2.gz RNHNRYZOXRIZAC-KRWDZBQOSA-N 0 0 454.493 4.560 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)nc2)c1 ZINC001435047335 1064463740 /nfs/dbraw/zinc/46/37/40/1064463740.db2.gz UNBZCSXQLVRTMH-UHFFFAOYSA-N 0 0 450.882 4.558 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359798886 1064463949 /nfs/dbraw/zinc/46/39/49/1064463949.db2.gz SHMYTNGLFFTWCG-KRWDZBQOSA-N 0 0 461.573 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359799007 1064463955 /nfs/dbraw/zinc/46/39/55/1064463955.db2.gz VSTOHTMYNRUBBA-UHFFFAOYSA-N 0 0 455.472 4.973 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359798968 1064463978 /nfs/dbraw/zinc/46/39/78/1064463978.db2.gz VCTGIOJCSQFGIO-FCHUYYIVSA-N 0 0 488.982 4.567 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048075 1064464381 /nfs/dbraw/zinc/46/43/81/1064464381.db2.gz BGXJLGBCYCFPHM-AOMKIAJQSA-N 0 0 454.640 4.787 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(Br)cccc2cn1 ZINC001435047913 1064464690 /nfs/dbraw/zinc/46/46/90/1064464690.db2.gz ZDMZNXSLDSYZFD-UHFFFAOYSA-N 0 0 457.715 4.673 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cnnc(-c2ccccc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048541 1064465556 /nfs/dbraw/zinc/46/55/56/1064465556.db2.gz DUTRWSHOZFEQBC-UQBPGWFLSA-N 0 0 457.578 4.527 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NCC(C)(C)c3ccc(OC)c(OC)c3)s2)cc1OC ZINC001435048633 1064466234 /nfs/dbraw/zinc/46/62/34/1064466234.db2.gz GGWPWCUTLOKCAU-UHFFFAOYSA-N 0 0 456.564 4.552 20 0 JJADRN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359800325 1064466693 /nfs/dbraw/zinc/46/66/93/1064466693.db2.gz GAFQLQDAKCCIEU-SGDIKTSBSA-N 0 0 456.583 4.936 20 0 JJADRN CN(C)c1ncc(Br)cc1C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435049444 1064467297 /nfs/dbraw/zinc/46/72/97/1064467297.db2.gz MTVFZSNAFDVORO-UHFFFAOYSA-N 0 0 454.324 4.519 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)C(=O)OC(C)(C)C ZINC001435050358 1064468061 /nfs/dbraw/zinc/46/80/61/1064468061.db2.gz ZDQWJPIJSAQIEP-UHFFFAOYSA-N 0 0 452.555 4.745 20 0 JJADRN Cc1nc(CCC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)oc1-c1ccccc1 ZINC001435050582 1064468145 /nfs/dbraw/zinc/46/81/45/1064468145.db2.gz DBLSGSKNBPTJJC-IBGZPJMESA-N 0 0 454.368 4.740 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COc1ccccc1C(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435050210 1064468193 /nfs/dbraw/zinc/46/81/93/1064468193.db2.gz UFAJFQHXADHEBM-FNZWTVRRSA-N 0 0 451.611 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359802281 1064470586 /nfs/dbraw/zinc/47/05/86/1064470586.db2.gz LFFUWCJOKKYLEV-SQJMNOBHSA-N 0 0 454.659 4.948 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359802278 1064470794 /nfs/dbraw/zinc/47/07/94/1064470794.db2.gz LFFUWCJOKKYLEV-BWKNWUBXSA-N 0 0 454.659 4.948 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359802280 1064470849 /nfs/dbraw/zinc/47/08/49/1064470849.db2.gz LFFUWCJOKKYLEV-PXDATVDWSA-N 0 0 454.659 4.948 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001359805182 1064474404 /nfs/dbraw/zinc/47/44/04/1064474404.db2.gz KETIVSMPZJKIIO-QFIPXVFZSA-N 0 0 479.591 4.546 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359805196 1064474556 /nfs/dbraw/zinc/47/45/56/1064474556.db2.gz KKSTZSWRBMKXCR-NRFANRHFSA-N 0 0 481.582 4.959 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c1 ZINC001435055957 1064474695 /nfs/dbraw/zinc/47/46/95/1064474695.db2.gz UKZQGVGRHNLZMR-SFHVURJKSA-N 0 0 458.312 4.636 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001435056039 1064474764 /nfs/dbraw/zinc/47/47/64/1064474764.db2.gz DCUVBBLCIJXLSH-QMMMGPOBSA-N 0 0 458.200 4.581 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001359805917 1064475162 /nfs/dbraw/zinc/47/51/62/1064475162.db2.gz REQBPDPYGAFIEL-JTHBVZDNSA-N 0 0 453.631 4.515 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(Oc2ccccc2F)nc1)C(=O)N1CCc2sccc2C1 ZINC001359806735 1064476228 /nfs/dbraw/zinc/47/62/28/1064476228.db2.gz OGVPGQGIRVECIC-IBGZPJMESA-N 0 0 453.539 4.558 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3cnn(C)c3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359806060 1064476313 /nfs/dbraw/zinc/47/63/13/1064476313.db2.gz QGXBZNKYCGLTKZ-UHFFFAOYSA-N 0 0 462.520 4.541 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001435057957 1064476394 /nfs/dbraw/zinc/47/63/94/1064476394.db2.gz FCEKBUZDQVHCRO-HNNXBMFYSA-N 0 0 458.436 4.809 20 0 JJADRN CCn1cc(Br)c(C(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC001359807137 1064477269 /nfs/dbraw/zinc/47/72/69/1064477269.db2.gz UIFPHTJMQMQMLC-QGZVFWFLSA-N 0 0 456.384 4.914 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Br)c(C)c2F)c(C)c1 ZINC001435059038 1064477298 /nfs/dbraw/zinc/47/72/98/1064477298.db2.gz DNGLGTOCDKNLJN-KRWDZBQOSA-N 0 0 451.361 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001359807638 1064478275 /nfs/dbraw/zinc/47/82/75/1064478275.db2.gz AGIMTXLUCGWQQK-HXUWFJFHSA-N 0 0 465.708 4.703 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC001435060122 1064478953 /nfs/dbraw/zinc/47/89/53/1064478953.db2.gz KJFQPHIQRBGGHX-INIZCTEOSA-N 0 0 451.411 4.633 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001359808045 1064478970 /nfs/dbraw/zinc/47/89/70/1064478970.db2.gz HAIJKEOXCWHPSB-OAQYLSRUSA-N 0 0 482.673 4.687 20 0 JJADRN C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC001435060171 1064479049 /nfs/dbraw/zinc/47/90/49/1064479049.db2.gz ACFNDNGGHOHTDK-LJQANCHMSA-N 0 0 459.590 4.643 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3F)c(F)c2)cc1 ZINC001435060219 1064479079 /nfs/dbraw/zinc/47/90/79/1064479079.db2.gz KTZQJHQQEDJOCP-JOCHJYFZSA-N 0 0 454.498 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCc1ccc(O)cc1 ZINC001359808347 1064479642 /nfs/dbraw/zinc/47/96/42/1064479642.db2.gz MSSOARPTXPXYGJ-UHFFFAOYSA-N 0 0 485.673 4.898 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001435060755 1064479812 /nfs/dbraw/zinc/47/98/12/1064479812.db2.gz OBOAIRXHQKXXDG-QFIPXVFZSA-N 0 0 451.592 4.668 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(Cl)c(Br)cc2F)c(OC(F)F)c1 ZINC001435062664 1064480702 /nfs/dbraw/zinc/48/07/02/1064480702.db2.gz AKYNOWOXGMJPTK-UHFFFAOYSA-N 0 0 452.610 4.882 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435063287 1064481590 /nfs/dbraw/zinc/48/15/90/1064481590.db2.gz AVUOLPCOAGHRFZ-CMJOXMDJSA-N 0 0 451.995 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001359809084 1064482596 /nfs/dbraw/zinc/48/25/96/1064482596.db2.gz GNMBGWZCBLISQW-FPOVZHCZSA-N 0 0 453.631 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1C[C@H](c1cccnc1)C(C)C ZINC001545888519 1064482713 /nfs/dbraw/zinc/48/27/13/1064482713.db2.gz PAZMNBYQKZTJFP-DEOSSOPVSA-N 0 0 478.616 4.733 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359809440 1064483374 /nfs/dbraw/zinc/48/33/74/1064483374.db2.gz QDNAKKUXOCYTMY-URVUXULASA-N 0 0 477.694 4.669 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435064201 1064483438 /nfs/dbraw/zinc/48/34/38/1064483438.db2.gz CAOJVSVKQGDHHF-NIYFSFCBSA-N 0 0 453.583 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359809299 1064483530 /nfs/dbraw/zinc/48/35/30/1064483530.db2.gz MTNPYAWFKINSHR-UHFFFAOYSA-N 0 0 475.323 4.754 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001359809496 1064483559 /nfs/dbraw/zinc/48/35/59/1064483559.db2.gz SQMYPYOAJFYNBJ-NRFANRHFSA-N 0 0 498.672 4.592 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359809438 1064483579 /nfs/dbraw/zinc/48/35/79/1064483579.db2.gz QDNAKKUXOCYTMY-RZUBCFFCSA-N 0 0 477.694 4.669 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359809563 1064484252 /nfs/dbraw/zinc/48/42/52/1064484252.db2.gz VJFZDGLDPKFOQL-YADHBBJMSA-N 0 0 483.657 4.781 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359809561 1064484305 /nfs/dbraw/zinc/48/43/05/1064484305.db2.gz VJFZDGLDPKFOQL-FGZHOGPDSA-N 0 0 483.657 4.781 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001435065197 1064485137 /nfs/dbraw/zinc/48/51/37/1064485137.db2.gz GGMFNSNLBFYGFS-NRFANRHFSA-N 0 0 455.393 4.660 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cc1C ZINC001435065211 1064485158 /nfs/dbraw/zinc/48/51/58/1064485158.db2.gz PKPGTXBWOWZKOM-QAPCUYQASA-N 0 0 452.498 4.630 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(NC3CC3)nc2)c2ccccc2)cc1Br ZINC001359810954 1064485963 /nfs/dbraw/zinc/48/59/63/1064485963.db2.gz YYBGWQMXKNGJIN-QFIPXVFZSA-N 0 0 452.352 4.946 20 0 JJADRN COc1ccc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1-c1ccccn1 ZINC001435066120 1064486079 /nfs/dbraw/zinc/48/60/79/1064486079.db2.gz HYKPLTGJFJNEMI-QYBDOPJKSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccccc2)CCOCC1 ZINC001359811637 1064487627 /nfs/dbraw/zinc/48/76/27/1064487627.db2.gz UIJOYBAUWPCRJB-HSZRJFAPSA-N 0 0 497.684 4.671 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccccc2)CCOCC1 ZINC001359811638 1064487690 /nfs/dbraw/zinc/48/76/90/1064487690.db2.gz UIJOYBAUWPCRJB-QHCPKHFHSA-N 0 0 497.684 4.671 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)nc1C ZINC001435067335 1064487739 /nfs/dbraw/zinc/48/77/39/1064487739.db2.gz XMOPPWWOAOEXCE-UHFFFAOYSA-N 0 0 454.474 4.854 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359812034 1064488260 /nfs/dbraw/zinc/48/82/60/1064488260.db2.gz GYJYFRMHLWHEBA-NRFANRHFSA-N 0 0 483.554 4.839 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001359812050 1064488437 /nfs/dbraw/zinc/48/84/37/1064488437.db2.gz AZCYFBOFMJSTJK-DQEYMECFSA-N 0 0 457.014 4.778 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)Nc3ccc(C(=O)OC)cc3OC(F)F)cc2s1 ZINC001435067915 1064488524 /nfs/dbraw/zinc/48/85/24/1064488524.db2.gz ZWWKVULBAQRAFO-UHFFFAOYSA-N 0 0 455.508 4.844 20 0 JJADRN Cc1cccc2cc(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)sc21 ZINC001435068645 1064489244 /nfs/dbraw/zinc/48/92/44/1064489244.db2.gz JJFAWIVARWINJN-UHFFFAOYSA-N 0 0 452.580 4.914 20 0 JJADRN COc1cc(C(=O)Nc2cccc(COCCOC(C)C)c2)cc(Br)c1OC ZINC001359812684 1064489403 /nfs/dbraw/zinc/48/94/03/1064489403.db2.gz JTNNVTKENJWDRC-UHFFFAOYSA-N 0 0 452.345 4.660 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccc(Cl)s1 ZINC001435067959 1064489398 /nfs/dbraw/zinc/48/93/98/1064489398.db2.gz DCRWVFVHTCMDBL-CQSZACIVSA-N 0 0 450.992 4.596 20 0 JJADRN O=C(OCc1ncc(-c2cccc(Cl)c2)o1)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC001435069037 1064490564 /nfs/dbraw/zinc/49/05/64/1064490564.db2.gz QWOYYFKAHZRZFX-RTBURBONSA-N 0 0 458.873 4.787 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)c(C)c1Br ZINC001435068777 1064490616 /nfs/dbraw/zinc/49/06/16/1064490616.db2.gz LBPFMGGKCDEJNJ-UHFFFAOYSA-N 0 0 454.372 4.889 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1Cc1ccncc1Cl ZINC001359814302 1064491232 /nfs/dbraw/zinc/49/12/32/1064491232.db2.gz BGJDMVPWKBOFCM-UHFFFAOYSA-N 0 0 485.995 4.503 20 0 JJADRN CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435069222 1064491299 /nfs/dbraw/zinc/49/12/99/1064491299.db2.gz WOXOBDIZCUJOIO-SANMLTNESA-N 0 0 458.949 4.597 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1N1CCCCC1 ZINC001359814508 1064491742 /nfs/dbraw/zinc/49/17/42/1064491742.db2.gz IIVGTBVGRWMRNJ-JOCHJYFZSA-N 0 0 482.673 4.619 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1C ZINC001435070338 1064491983 /nfs/dbraw/zinc/49/19/83/1064491983.db2.gz ZLPUOPJQLHFROU-QHCPKHFHSA-N 0 0 459.571 4.710 20 0 JJADRN C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435070249 1064492013 /nfs/dbraw/zinc/49/20/13/1064492013.db2.gz YGDJATYMYQREJE-VKAVYKQESA-N 0 0 456.974 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001359814723 1064492692 /nfs/dbraw/zinc/49/26/92/1064492692.db2.gz OGXCNUAGBRGWIW-HXUWFJFHSA-N 0 0 459.610 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001359814662 1064492721 /nfs/dbraw/zinc/49/27/21/1064492721.db2.gz MUGBEIBUPJRISH-UNMCSNQZSA-N 0 0 453.631 4.774 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359814828 1064493838 /nfs/dbraw/zinc/49/38/38/1064493838.db2.gz BPGJBZWCCQFKRX-QPPBQGQZSA-N 0 0 472.649 4.785 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)cc1 ZINC001435071672 1064493781 /nfs/dbraw/zinc/49/37/81/1064493781.db2.gz BEMAHZJEGAALRW-QGZVFWFLSA-N 0 0 451.589 4.715 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)Cc1sc(C)cc1Br)C1CC1 ZINC001435071133 1064493823 /nfs/dbraw/zinc/49/38/23/1064493823.db2.gz CQSWRLLCNQJXGL-SFHVURJKSA-N 0 0 450.398 4.527 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCC(C)(C)C1CC1 ZINC001359814960 1064494515 /nfs/dbraw/zinc/49/45/15/1064494515.db2.gz SHTBLTOOMBHAGK-OAQYLSRUSA-N 0 0 456.610 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359815154 1064494582 /nfs/dbraw/zinc/49/45/82/1064494582.db2.gz GGKAOJSBRIOMNY-SANMLTNESA-N 0 0 472.649 4.521 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359815153 1064494636 /nfs/dbraw/zinc/49/46/36/1064494636.db2.gz GGKAOJSBRIOMNY-AREMUKBSSA-N 0 0 472.649 4.521 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCOC1CCCCCC1 ZINC001359815048 1064494704 /nfs/dbraw/zinc/49/47/04/1064494704.db2.gz UDOKWOIKDUPJEE-UHFFFAOYSA-N 0 0 463.667 4.710 20 0 JJADRN CCN(C(=O)c1cc(C)nc2cc(Br)ccc21)[C@@H]1CCN(c2ccccc2)C1=O ZINC001435073023 1064494751 /nfs/dbraw/zinc/49/47/51/1064494751.db2.gz PNEAQFIIMFQLPE-OAQYLSRUSA-N 0 0 452.352 4.573 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359815584 1064496265 /nfs/dbraw/zinc/49/62/65/1064496265.db2.gz PJADBWXDLHLOPO-VWLOTQADSA-N 0 0 476.612 4.574 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1CCCc1nccs1 ZINC001359815421 1064496323 /nfs/dbraw/zinc/49/63/23/1064496323.db2.gz KFGYDVCGWSJSLD-UHFFFAOYSA-N 0 0 461.582 4.892 20 0 JJADRN CCC[C@H](NC(=O)c1cccc(Br)c1I)c1ccccn1 ZINC001435075563 1064497295 /nfs/dbraw/zinc/49/72/95/1064497295.db2.gz MSIVWRCDMFENDG-AWEZNQCLSA-N 0 0 459.125 4.720 20 0 JJADRN CCC[C@@H](NC(=O)c1cccc(Br)c1I)c1ccccn1 ZINC001435075567 1064497310 /nfs/dbraw/zinc/49/73/10/1064497310.db2.gz MSIVWRCDMFENDG-CQSZACIVSA-N 0 0 459.125 4.720 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001359816237 1064498014 /nfs/dbraw/zinc/49/80/14/1064498014.db2.gz HFOYMHRMNKRILX-JOCHJYFZSA-N 0 0 455.327 4.558 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001359816123 1064498087 /nfs/dbraw/zinc/49/80/87/1064498087.db2.gz CMFFXCKVGWJECM-UHFFFAOYSA-N 0 0 450.438 4.800 20 0 JJADRN Cn1c2ccccc2n(CC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1=O ZINC001359816262 1064498180 /nfs/dbraw/zinc/49/81/80/1064498180.db2.gz HNEYVTZFBAXOBE-UHFFFAOYSA-N 0 0 455.436 4.577 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001435075951 1064498248 /nfs/dbraw/zinc/49/82/48/1064498248.db2.gz ZJJNGICCQLWPLU-DEOSSOPVSA-N 0 0 457.502 4.723 20 0 JJADRN Cc1cccc2c1O[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001435076051 1064498404 /nfs/dbraw/zinc/49/84/04/1064498404.db2.gz RGSSGELMORSQAP-DHIUTWEWSA-N 0 0 450.579 4.727 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001359816770 1064498803 /nfs/dbraw/zinc/49/88/03/1064498803.db2.gz MJFIOKDQXKTQTI-SWLSCSKDSA-N 0 0 453.427 4.607 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)CCNC(=O)c3ccc(Br)cc3)c(C)c2c1 ZINC001435076187 1064498864 /nfs/dbraw/zinc/49/88/64/1064498864.db2.gz SEJDYFNIIADIPR-CQSZACIVSA-N 0 0 459.340 4.510 20 0 JJADRN C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Br)cc2I)C1 ZINC001435076393 1064498940 /nfs/dbraw/zinc/49/89/40/1064498940.db2.gz OQPMZBZGUDFIMW-LLVKDONJSA-N 0 0 456.121 4.893 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC3CCCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359817441 1064499946 /nfs/dbraw/zinc/49/99/46/1064499946.db2.gz DEZWALVUOSHAIH-UHFFFAOYSA-N 0 0 487.689 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CCOc1ccc(Cl)cc1 ZINC001359817466 1064500618 /nfs/dbraw/zinc/50/06/18/1064500618.db2.gz FCMKVTGOGGZITK-HSZRJFAPSA-N 0 0 477.049 4.764 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccnn2CCc2ccccc2)cc1 ZINC001435078962 1064501621 /nfs/dbraw/zinc/50/16/21/1064501621.db2.gz WXCUXNKTSYERCE-UHFFFAOYSA-N 0 0 455.558 4.986 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359818092 1064501875 /nfs/dbraw/zinc/50/18/75/1064501875.db2.gz SDNCBLPYGKTASP-OAQYLSRUSA-N 0 0 484.048 4.803 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)CC1 ZINC001435079963 1064502147 /nfs/dbraw/zinc/50/21/47/1064502147.db2.gz FNLWBDLPBNPZPM-QGZVFWFLSA-N 0 0 456.656 4.654 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1=O ZINC001435080249 1064502556 /nfs/dbraw/zinc/50/25/56/1064502556.db2.gz FJSDWKQOXZIORT-OALUTQOASA-N 0 0 453.558 4.568 20 0 JJADRN CCN(C(=O)CCn1c2ccccc2n(C)c1=O)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001435080795 1064502573 /nfs/dbraw/zinc/50/25/73/1064502573.db2.gz OSERLGMDEHFXCV-MHZLTWQESA-N 0 0 456.590 4.887 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1Cc1cccnc1OCC(F)F ZINC001359819033 1064502748 /nfs/dbraw/zinc/50/27/48/1064502748.db2.gz IZGAQYFAFNTMHJ-MGPUTAFESA-N 0 0 474.383 4.584 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001359819172 1064502866 /nfs/dbraw/zinc/50/28/66/1064502866.db2.gz LUUKNPRIDHBMKG-GCJKJVERSA-N 0 0 479.456 4.639 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cn1 ZINC001359819188 1064503417 /nfs/dbraw/zinc/50/34/17/1064503417.db2.gz TYRLXNVDJSVLTK-UHFFFAOYSA-N 0 0 452.510 4.948 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001359821012 1064504017 /nfs/dbraw/zinc/50/40/17/1064504017.db2.gz ZDUFEBFKDLFTAH-QHCPKHFHSA-N 0 0 454.636 4.850 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545888625 1064504337 /nfs/dbraw/zinc/50/43/37/1064504337.db2.gz SCMDYSAIKYZTTR-DLBZAZTESA-N 0 0 488.474 4.958 20 0 JJADRN CCN(C(=O)c1nccn2c(Br)cnc12)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001435082551 1064504392 /nfs/dbraw/zinc/50/43/92/1064504392.db2.gz IOBMHVKSQFJEHX-FQEVSTJZSA-N 0 0 453.315 4.883 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC001359822009 1064504372 /nfs/dbraw/zinc/50/43/72/1064504372.db2.gz AOMWLBCHPLZZTA-FPOVZHCZSA-N 0 0 450.645 4.595 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cc(C)cc(C)c3)c2)cc1 ZINC001435082899 1064505059 /nfs/dbraw/zinc/50/50/59/1064505059.db2.gz GMMZRGURYDQNED-LJQANCHMSA-N 0 0 452.576 4.628 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359822876 1064505002 /nfs/dbraw/zinc/50/50/02/1064505002.db2.gz ICLXNMKPEWJWLR-KRWDZBQOSA-N 0 0 462.038 4.854 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001435084025 1064505448 /nfs/dbraw/zinc/50/54/48/1064505448.db2.gz QHFXXHAJOCBODH-IFMALSPDSA-N 0 0 458.530 4.663 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2=O)cc1 ZINC001435084239 1064505489 /nfs/dbraw/zinc/50/54/89/1064505489.db2.gz RMNDBLPUOBWGIF-UGKGYDQZSA-N 0 0 454.542 4.718 20 0 JJADRN CCCN(C(=O)CSc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435084112 1064505584 /nfs/dbraw/zinc/50/55/84/1064505584.db2.gz QLVPQHWHXFDZSR-INIZCTEOSA-N 0 0 457.434 4.789 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(F)cc(F)c3C2)n1Cc1cccnc1OCC(F)(F)F ZINC001359823537 1064505702 /nfs/dbraw/zinc/50/57/02/1064505702.db2.gz UZSBXLQGWLXKGY-UHFFFAOYSA-N 0 0 481.469 4.702 20 0 JJADRN C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001435085034 1064506121 /nfs/dbraw/zinc/50/61/21/1064506121.db2.gz FJOZHMSBRVGRLG-HYBUGGRVSA-N 0 0 450.583 4.564 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)nc2)cc1 ZINC001435085337 1064506138 /nfs/dbraw/zinc/50/61/38/1064506138.db2.gz GTCDBMBJHDWXOV-VWLOTQADSA-N 0 0 451.567 4.526 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C)c1cc(C)cc(C)c1)C2 ZINC001435084649 1064506198 /nfs/dbraw/zinc/50/61/98/1064506198.db2.gz UFSAFIZUVXPBLX-UTKZUKDTSA-N 0 0 454.567 4.864 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC001435086778 1064506479 /nfs/dbraw/zinc/50/64/79/1064506479.db2.gz NVJIMFVGXZODIC-IBGZPJMESA-N 0 0 459.787 4.885 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC001435086785 1064506662 /nfs/dbraw/zinc/50/66/62/1064506662.db2.gz NVJIMFVGXZODIC-LJQANCHMSA-N 0 0 459.787 4.885 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001435085913 1064506721 /nfs/dbraw/zinc/50/67/21/1064506721.db2.gz KIVCUJDFVGVIMN-OAQYLSRUSA-N 0 0 454.533 4.893 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2=O)cc1 ZINC001435085483 1064506735 /nfs/dbraw/zinc/50/67/35/1064506735.db2.gz HFGLCSJWQYKZOK-GOSISDBHSA-N 0 0 452.555 4.602 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC001435086288 1064506746 /nfs/dbraw/zinc/50/67/46/1064506746.db2.gz MEVOSCQIMXACTH-QFIPXVFZSA-N 0 0 459.587 4.505 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)CC1 ZINC001435086866 1064507048 /nfs/dbraw/zinc/50/70/48/1064507048.db2.gz PEACCWDWONDFKW-HSZRJFAPSA-N 0 0 457.615 4.985 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3ccccc3F)n2)c1C ZINC001359824664 1064507130 /nfs/dbraw/zinc/50/71/30/1064507130.db2.gz RURLZBDFWKUCOB-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC001435086921 1064507140 /nfs/dbraw/zinc/50/71/40/1064507140.db2.gz PRMKZINDNIDBNF-QFIPXVFZSA-N 0 0 458.002 4.957 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN(Cc2ccccc2)c2ccccc2)c(C)c1 ZINC001359824461 1064507259 /nfs/dbraw/zinc/50/72/59/1064507259.db2.gz NORHFJVZBAIYLQ-RUZDIDTESA-N 0 0 459.615 4.850 20 0 JJADRN Cc1ccc(OCc2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(F)c3)o2)c(C)c1 ZINC001359824626 1064507366 /nfs/dbraw/zinc/50/73/66/1064507366.db2.gz QZJMSZPVCVBOAJ-HXUWFJFHSA-N 0 0 454.523 4.768 20 0 JJADRN O=C(OCc1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435089161 1064507743 /nfs/dbraw/zinc/50/77/43/1064507743.db2.gz BNAQPXFCUJAKEZ-UHFFFAOYSA-N 0 0 456.589 4.732 20 0 JJADRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001359824914 1064507806 /nfs/dbraw/zinc/50/78/06/1064507806.db2.gz XHDQXOLXPWOGIZ-GOSISDBHSA-N 0 0 457.914 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H]1CCSC1(C)C ZINC001545888673 1064508094 /nfs/dbraw/zinc/50/80/94/1064508094.db2.gz UDROAWDXUSQEPC-SFHVURJKSA-N 0 0 476.090 4.944 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001435090060 1064508112 /nfs/dbraw/zinc/50/81/12/1064508112.db2.gz BHKAZJWLBDZUDL-OAQYLSRUSA-N 0 0 450.336 4.886 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001359826370 1064508075 /nfs/dbraw/zinc/50/80/75/1064508075.db2.gz NNPZVMBYBSZAEN-GOHWNWGWSA-N 0 0 477.694 4.547 20 0 JJADRN CCCc1c(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001435090663 1064508217 /nfs/dbraw/zinc/50/82/17/1064508217.db2.gz KHBCLANIKNFXEP-KRWDZBQOSA-N 0 0 453.974 4.519 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC001435090464 1064508438 /nfs/dbraw/zinc/50/84/38/1064508438.db2.gz DTKQUFSOFIIYFA-LJQANCHMSA-N 0 0 456.533 4.554 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1C[C@H](C)c1nccs1 ZINC001359826948 1064508677 /nfs/dbraw/zinc/50/86/77/1064508677.db2.gz STBKWMSQALNUNO-DLBZAZTESA-N 0 0 488.061 4.640 20 0 JJADRN O=C(Cc1ccccc1S(=O)(=O)C(F)F)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001435091956 1064508980 /nfs/dbraw/zinc/50/89/80/1064508980.db2.gz SCLKUZVIASSISC-UHFFFAOYSA-N 0 0 451.441 4.737 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001359827359 1064509278 /nfs/dbraw/zinc/50/92/78/1064509278.db2.gz YCXRFZGLVGWNTI-NRFANRHFSA-N 0 0 477.575 4.930 20 0 JJADRN COc1ccc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1OC1CCCC1 ZINC001359828238 1064509958 /nfs/dbraw/zinc/50/99/58/1064509958.db2.gz COXQASQVSIVYRT-UHFFFAOYSA-N 0 0 454.567 4.971 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001359828251 1064510305 /nfs/dbraw/zinc/51/03/05/1064510305.db2.gz CWJYQSUCPXMQBG-HNNXBMFYSA-N 0 0 452.473 4.814 20 0 JJADRN O=C(NCc1ccccc1Sc1ccccc1)c1csc(I)n1 ZINC001435094668 1064510542 /nfs/dbraw/zinc/51/05/42/1064510542.db2.gz HVTHBLTVSUKTDK-UHFFFAOYSA-N 0 0 452.342 4.829 20 0 JJADRN C[C@@H](C(=O)NCc1ccccc1Sc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001435094900 1064510590 /nfs/dbraw/zinc/51/05/90/1064510590.db2.gz JPZFZZFPLPLQPS-GOSISDBHSA-N 0 0 454.617 4.508 20 0 JJADRN CCCc1sc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)cc1Br ZINC001359829628 1064511346 /nfs/dbraw/zinc/51/13/46/1064511346.db2.gz SILZKKGPQBLOIN-HNNXBMFYSA-N 0 0 453.427 4.925 20 0 JJADRN CN(C)c1cc(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001359829541 1064511389 /nfs/dbraw/zinc/51/13/89/1064511389.db2.gz WZKVMYWLCOZAPP-UHFFFAOYSA-N 0 0 451.489 4.726 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001359829651 1064511575 /nfs/dbraw/zinc/51/15/75/1064511575.db2.gz SOIFALLFECUFIU-VUVZNRFTSA-N 0 0 450.482 4.658 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1nc(C2CC2)cs1 ZINC001359829978 1064511898 /nfs/dbraw/zinc/51/18/98/1064511898.db2.gz ASJFVEZIFBAEBX-SFHVURJKSA-N 0 0 488.702 4.942 20 0 JJADRN O=C(NCCc1cccc2ccccc21)c1cc(Br)nn1-c1ncccc1Cl ZINC001435097846 1064512720 /nfs/dbraw/zinc/51/27/20/1064512720.db2.gz MHBWJHCCZZQEAW-UHFFFAOYSA-N 0 0 455.743 4.809 20 0 JJADRN CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001435098016 1064512804 /nfs/dbraw/zinc/51/28/04/1064512804.db2.gz LOENVVJCCMSESC-XJKSGUPXSA-N 0 0 459.058 4.544 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC001359830068 1064512745 /nfs/dbraw/zinc/51/27/45/1064512745.db2.gz YORUFMUKLBAMDZ-OAHLLOKOSA-N 0 0 457.752 4.704 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCCOc1ccccc1 ZINC001359831178 1064514172 /nfs/dbraw/zinc/51/41/72/1064514172.db2.gz YJFNMNQLNAHCDA-FQEVSTJZSA-N 0 0 452.603 4.836 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001435101108 1064514301 /nfs/dbraw/zinc/51/43/01/1064514301.db2.gz SGKRVQQQAAZGKU-ZJNQMXKESA-N 0 0 450.969 4.659 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC001435101195 1064514513 /nfs/dbraw/zinc/51/45/13/1064514513.db2.gz SZQIPTSYZHCTIV-NSHDSACASA-N 0 0 452.960 4.806 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1CCNC(=O)C(C)(C)C ZINC001359831248 1064514758 /nfs/dbraw/zinc/51/47/58/1064514758.db2.gz ZPKTZWRWIOLHEZ-HXUWFJFHSA-N 0 0 450.631 4.504 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1Cc1cc2ccccc2s1 ZINC001359831983 1064515374 /nfs/dbraw/zinc/51/53/74/1064515374.db2.gz DGFRJYQFJPMQGY-IBGZPJMESA-N 0 0 453.656 4.728 20 0 JJADRN CCCCC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1 ZINC001359831820 1064515389 /nfs/dbraw/zinc/51/53/89/1064515389.db2.gz QAUSPDUJDBYEFL-RTWAWAEBSA-N 0 0 455.603 4.902 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1Cc1cc2ccccc2s1 ZINC001359831984 1064515490 /nfs/dbraw/zinc/51/54/90/1064515490.db2.gz DGFRJYQFJPMQGY-LJQANCHMSA-N 0 0 453.656 4.728 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1=O ZINC001435104349 1064515476 /nfs/dbraw/zinc/51/54/76/1064515476.db2.gz ZFSYPNANIIQTCL-RTBURBONSA-N 0 0 452.551 4.524 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCC3CCC(c4ccccc4)CC3)cc2)C1 ZINC001435103978 1064515575 /nfs/dbraw/zinc/51/55/75/1064515575.db2.gz GBSVHQLREHTYGR-ZJOBEGKPSA-N 0 0 454.636 4.811 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001359832396 1064515863 /nfs/dbraw/zinc/51/58/63/1064515863.db2.gz JEQDCLILXKNBOJ-KTIWRFAQSA-N 0 0 481.685 4.633 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC001435105041 1064516318 /nfs/dbraw/zinc/51/63/18/1064516318.db2.gz QUAFSMBMFAWQFN-UHFFFAOYSA-N 0 0 452.576 4.855 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001359832719 1064516664 /nfs/dbraw/zinc/51/66/64/1064516664.db2.gz AZEJDRODEXKYGU-IFXJQAMLSA-N 0 0 452.498 4.748 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(Br)cc1F ZINC001435107772 1064517213 /nfs/dbraw/zinc/51/72/13/1064517213.db2.gz CBIAQMXIYPPINA-UHFFFAOYSA-N 0 0 454.702 4.847 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001359833055 1064517730 /nfs/dbraw/zinc/51/77/30/1064517730.db2.gz SQVNQOWDOKHJOB-FQEVSTJZSA-N 0 0 499.656 4.773 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC001435107989 1064517906 /nfs/dbraw/zinc/51/79/06/1064517906.db2.gz JCHIWZWRCYVDQK-UHFFFAOYSA-N 0 0 454.474 4.775 20 0 JJADRN Cc1ccc(-c2nn(C)cc2C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)o1 ZINC001435108562 1064518244 /nfs/dbraw/zinc/51/82/44/1064518244.db2.gz MQHVDFGIKVCPDJ-UHFFFAOYSA-N 0 0 450.539 4.606 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359833337 1064518529 /nfs/dbraw/zinc/51/85/29/1064518529.db2.gz WOVDXKXPXFNBQD-SFHVURJKSA-N 0 0 494.055 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C(=O)NCCc2cccc(OCCCc3ccccc3)c2)C1 ZINC001435109242 1064518757 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COc1cccc(CNC(=O)c2cc(Br)c3nccnc3c2)c1OC1CCCC1 ZINC001435116735 1064524672 /nfs/dbraw/zinc/52/46/72/1064524672.db2.gz WTFWEXODNCOBRV-UHFFFAOYSA-N 0 0 456.340 4.652 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001435117204 1064524751 /nfs/dbraw/zinc/52/47/51/1064524751.db2.gz BZJZTIQMKVQNEP-PKTZIBPZSA-N 0 0 452.348 4.999 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC001359838312 1064525386 /nfs/dbraw/zinc/52/53/86/1064525386.db2.gz YLIUHNAQZMINHZ-QKKBWIMNSA-N 0 0 457.040 4.600 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2cnc(-c3ccccc3)nc2)cc1)c1ccc(Cl)cc1 ZINC001435118349 1064525243 /nfs/dbraw/zinc/52/52/43/1064525243.db2.gz HTNROWWCLOJMTJ-UHFFFAOYSA-N 0 0 457.917 4.989 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cnn(CC(F)(F)F)c1 ZINC001435118074 1064525382 /nfs/dbraw/zinc/52/53/82/1064525382.db2.gz DPSGAQHVDTUEMW-GOSISDBHSA-N 0 0 450.848 4.599 20 0 JJADRN O=C(Cc1cnn(-c2ccccc2)c1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001435121159 1064526814 /nfs/dbraw/zinc/52/68/14/1064526814.db2.gz TVAXGBLPXGMTQU-UHFFFAOYSA-N 0 0 459.933 4.646 20 0 JJADRN Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC001435121157 1064526972 /nfs/dbraw/zinc/52/69/72/1064526972.db2.gz SVNPZMLTCNXFTG-OAQYLSRUSA-N 0 0 456.409 4.933 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001359840918 1064527373 /nfs/dbraw/zinc/52/73/73/1064527373.db2.gz VJEOWMKZZNUDJX-FQEVSTJZSA-N 0 0 451.606 4.531 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001435122280 1064527898 /nfs/dbraw/zinc/52/78/98/1064527898.db2.gz YYFWTYHEUVQHER-URVUXULASA-N 0 0 471.001 4.583 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(Oc2cnccn2)c1 ZINC001435121738 1064528234 /nfs/dbraw/zinc/52/82/34/1064528234.db2.gz WVJRHHVNWZVKKS-UHFFFAOYSA-N 0 0 455.514 4.999 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2nc(F)ccc2Br)cc1 ZINC001435122869 1064528500 /nfs/dbraw/zinc/52/85/00/1064528500.db2.gz DCFGAVPOQVYTSW-QZTJIDSGSA-N 0 0 451.336 4.892 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccccc1 ZINC001435123759 1064529596 /nfs/dbraw/zinc/52/95/96/1064529596.db2.gz MVTNFXXZGSENPA-DEOSSOPVSA-N 0 0 452.595 4.893 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1 ZINC001359842466 1064529648 /nfs/dbraw/zinc/52/96/48/1064529648.db2.gz BDOOQWYXJWWFFZ-UHFFFAOYSA-N 0 0 452.504 4.846 20 0 JJADRN Cc1cc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)nn1-c1nc(C)cc(C)n1 ZINC001359842737 1064529794 /nfs/dbraw/zinc/52/97/94/1064529794.db2.gz JIKKUAUZWGBBDE-UHFFFAOYSA-N 0 0 456.478 4.565 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cnn3c2nc(C)cc3C(F)F)cc1 ZINC001435123401 1064529687 /nfs/dbraw/zinc/52/96/87/1064529687.db2.gz JMHXCEAEIYYZKX-FPOVZHCZSA-N 0 0 458.509 4.884 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359843628 1064530071 /nfs/dbraw/zinc/53/00/71/1064530071.db2.gz TVOHREADWAHJLX-HXUWFJFHSA-N 0 0 480.613 4.673 20 0 JJADRN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H](Cc1ccccc1)c1cccs1 ZINC001435124104 1064530149 /nfs/dbraw/zinc/53/01/49/1064530149.db2.gz BQQAHBSVJSXFTJ-LJQANCHMSA-N 0 0 457.393 4.731 20 0 JJADRN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC001435124102 1064530257 /nfs/dbraw/zinc/53/02/57/1064530257.db2.gz BQQAHBSVJSXFTJ-IBGZPJMESA-N 0 0 457.393 4.731 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCc1cc(Br)ccc1F ZINC001359843594 1064530236 /nfs/dbraw/zinc/53/02/36/1064530236.db2.gz SKGFIQKLBHIVAW-XLIONFOSSA-N 0 0 465.411 4.626 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)NCc3ccc(Br)cc3Oc3ccccc3)n2n1 ZINC001435124763 1064530731 /nfs/dbraw/zinc/53/07/31/1064530731.db2.gz BDYXNRCRGXKNIZ-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359844254 1064530838 /nfs/dbraw/zinc/53/08/38/1064530838.db2.gz OYMVZIFCEKVBLX-XUZZJYLKSA-N 0 0 488.076 4.544 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1)C(C)C ZINC001435125081 1064530819 /nfs/dbraw/zinc/53/08/19/1064530819.db2.gz IETZYCSJLJHIEM-QHCPKHFHSA-N 0 0 457.983 4.664 20 0 JJADRN CCN(C(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125927 1064531701 /nfs/dbraw/zinc/53/17/01/1064531701.db2.gz UQIMDBSJFIENMP-CVEARBPZSA-N 0 0 457.514 4.734 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCc1csc(C(C)C)n1 ZINC001359846056 1064531981 /nfs/dbraw/zinc/53/19/81/1064531981.db2.gz LLTDXTRIIYAFNN-UHFFFAOYSA-N 0 0 472.703 4.528 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1c(F)c(F)cc(F)c1F ZINC001435126449 1064532463 /nfs/dbraw/zinc/53/24/63/1064532463.db2.gz OESDOTQXFXNDEN-UHFFFAOYSA-N 0 0 459.367 4.747 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001359846641 1064532530 /nfs/dbraw/zinc/53/25/30/1064532530.db2.gz FPBBLNIWPAGUKN-HSALFYBXSA-N 0 0 483.657 4.855 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1Cc1ccccc1Cl ZINC001359846921 1064533044 /nfs/dbraw/zinc/53/30/44/1064533044.db2.gz KXPQHAOQTOTJSY-UHFFFAOYSA-N 0 0 458.050 4.797 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c(Cl)nc2cc(Cl)ccn21)C1CCCCC1 ZINC001435127123 1064533080 /nfs/dbraw/zinc/53/30/80/1064533080.db2.gz FMALECXHTDOZJE-OAHLLOKOSA-N 0 0 455.386 4.845 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359846926 1064533177 /nfs/dbraw/zinc/53/31/77/1064533177.db2.gz LEDMWZMNQWTNIB-KCZVDYSFSA-N 0 0 477.694 4.764 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1nc2c(s1)CCCC2 ZINC001359847380 1064533495 /nfs/dbraw/zinc/53/34/95/1064533495.db2.gz VAIJCXOUTSDOMW-GOSISDBHSA-N 0 0 488.702 4.500 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359847350 1064533511 /nfs/dbraw/zinc/53/35/11/1064533511.db2.gz TZIDXWXSDJVLSY-KRWDZBQOSA-N 0 0 496.578 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001359848725 1064534153 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458.484 4.574 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1Cc1ccccc1Cl ZINC001359849322 1064535339 /nfs/dbraw/zinc/53/53/39/1064535339.db2.gz IJMHJOYZQUEXFO-GOSISDBHSA-N 0 0 472.037 4.568 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001435130619 1064535500 /nfs/dbraw/zinc/53/55/00/1064535500.db2.gz WGEWWNSPPUTZRR-UHFFFAOYSA-N 0 0 459.315 4.627 20 0 JJADRN O=C(NCCc1cccc(F)c1F)c1cc(I)c(Cl)cc1Cl ZINC001435130738 1064535686 /nfs/dbraw/zinc/53/56/86/1064535686.db2.gz KGBABXVQVNVJKE-UHFFFAOYSA-N 0 0 456.057 4.849 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359849353 1064535599 /nfs/dbraw/zinc/53/55/99/1064535599.db2.gz IRZIAOZITSIAPR-QGZVFWFLSA-N 0 0 494.587 4.763 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H](C)c1nccs1 ZINC001359849547 1064535896 /nfs/dbraw/zinc/53/58/96/1064535896.db2.gz JYVHMSVSMKDIHH-ZWKOTPCHSA-N 0 0 474.625 4.898 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001359850104 1064535978 /nfs/dbraw/zinc/53/59/78/1064535978.db2.gz ODGKTBYIJFOCSB-RBUKOAKNSA-N 0 0 458.701 4.757 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001435131105 1064536010 /nfs/dbraw/zinc/53/60/10/1064536010.db2.gz NBSZDSNEGZTUGP-GASCZTMLSA-N 0 0 455.407 4.937 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359850440 1064536647 /nfs/dbraw/zinc/53/66/47/1064536647.db2.gz SXHOAVBGTOYHHV-NOZRDPDXSA-N 0 0 497.684 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359850270 1064536777 /nfs/dbraw/zinc/53/67/77/1064536777.db2.gz RDFLEZRJCXVSGU-YADARESESA-N 0 0 461.601 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCOc1ccc(F)cc1 ZINC001359850430 1064536787 /nfs/dbraw/zinc/53/67/87/1064536787.db2.gz SJGKBQZVDLKLMY-IBGZPJMESA-N 0 0 475.609 4.530 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359850783 1064537141 /nfs/dbraw/zinc/53/71/41/1064537141.db2.gz WQJKHSPEBFJUIV-RBUKOAKNSA-N 0 0 479.620 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359850781 1064537315 /nfs/dbraw/zinc/53/73/15/1064537315.db2.gz WQJKHSPEBFJUIV-MOPGFXCFSA-N 0 0 479.620 4.692 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)NCC3(C(=O)N(C)C)CCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC001435132724 1064537244 /nfs/dbraw/zinc/53/72/44/1064537244.db2.gz DTZQTDFOHVBSDH-UHFFFAOYSA-N 0 0 458.606 4.594 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCc1cccc(Br)c1 ZINC001435133096 1064537379 /nfs/dbraw/zinc/53/73/79/1064537379.db2.gz AISXEMWMZBDKLJ-LBPRGKRZSA-N 0 0 459.153 4.867 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCCCS1 ZINC001359850821 1064537693 /nfs/dbraw/zinc/53/76/93/1064537693.db2.gz XQFZLMCEHSQPEM-UYAOXDASSA-N 0 0 463.642 4.924 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)c2)o1 ZINC001435134931 1064538433 /nfs/dbraw/zinc/53/84/33/1064538433.db2.gz IGNFNXPVTSYINA-UHFFFAOYSA-N 0 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Cc1ccc(C[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c(C)c1 ZINC001435137823 1064539799 /nfs/dbraw/zinc/53/97/99/1064539799.db2.gz UOUGIKGVJBOACQ-RTWAWAEBSA-N 0 0 450.604 4.704 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CSc3ccc(C(C)C)cc3)CC2)cc1 ZINC001435137645 1064539984 /nfs/dbraw/zinc/53/99/84/1064539984.db2.gz AXOZQEDLRVCVKN-HXUWFJFHSA-N 0 0 454.636 4.603 20 0 JJADRN NC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1N1CCCCC1 ZINC001435139883 1064540701 /nfs/dbraw/zinc/54/07/01/1064540701.db2.gz YLOZDRYUKYYHFU-UHFFFAOYSA-N 0 0 454.983 4.734 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CCCSc1ccccc1 ZINC001359854157 1064541469 /nfs/dbraw/zinc/54/14/69/1064541469.db2.gz QSLIXZOXQFWYJO-UHFFFAOYSA-N 0 0 479.698 4.899 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435140808 1064541500 /nfs/dbraw/zinc/54/15/00/1064541500.db2.gz AQPWCHKLUGBBFO-UHFFFAOYSA-N 0 0 450.495 4.623 20 0 JJADRN Cc1cc(Br)oc1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001435141902 1064541843 /nfs/dbraw/zinc/54/18/43/1064541843.db2.gz FRLJJZVMQDXNST-ZDUSSCGKSA-N 0 0 456.178 4.632 20 0 JJADRN CC(C)(C(=O)NCc1nc(-c2ccncc2)no1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001435141404 1064541943 /nfs/dbraw/zinc/54/19/43/1064541943.db2.gz IWOMMKCFEYVZMO-UHFFFAOYSA-N 0 0 457.918 4.642 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359855416 1064542530 /nfs/dbraw/zinc/54/25/30/1064542530.db2.gz MDKYUDQMRAIQGH-GOSISDBHSA-N 0 0 468.662 4.696 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC001435142273 1064542703 /nfs/dbraw/zinc/54/27/03/1064542703.db2.gz HDCXMLWZJKUFKT-AUUYWEPGSA-N 0 0 451.455 4.746 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC001435142591 1064543153 /nfs/dbraw/zinc/54/31/53/1064543153.db2.gz KANXWXPNODZEHN-WNXIRNOKSA-N 0 0 452.595 4.890 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCCNC(=O)CCc1ccc(C)cc1 ZINC001359856910 1064543947 /nfs/dbraw/zinc/54/39/47/1064543947.db2.gz NYWDEQFPBLAOHL-UHFFFAOYSA-N 0 0 450.482 4.838 20 0 JJADRN CCN(CC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1C)C(=O)OC(C)(C)C ZINC001359856990 1064544095 /nfs/dbraw/zinc/54/40/95/1064544095.db2.gz PRQGYHKOXNJHHW-JOCHJYFZSA-N 0 0 451.567 4.539 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)n1 ZINC001359857477 1064544132 /nfs/dbraw/zinc/54/41/32/1064544132.db2.gz ZWZVIIWIUWQWPY-HXUWFJFHSA-N 0 0 450.336 4.753 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)cc1 ZINC001359857859 1064544567 /nfs/dbraw/zinc/54/45/67/1064544567.db2.gz FRZHRIWEWCUWFF-XTEPFMGCSA-N 0 0 459.590 4.858 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC001435145085 1064545204 /nfs/dbraw/zinc/54/52/04/1064545204.db2.gz VMYMHVJLXLPAKH-QFIPXVFZSA-N 0 0 457.496 4.987 20 0 JJADRN CCN(C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858189 1064545313 /nfs/dbraw/zinc/54/53/13/1064545313.db2.gz JLFOLSYQTKGQOX-HHHXNRCGSA-N 0 0 457.578 4.751 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1csc2ccccc12 ZINC001359858141 1064545458 /nfs/dbraw/zinc/54/54/58/1064545458.db2.gz KPYBXXHLKFZCHT-MRXNPFEDSA-N 0 0 451.562 4.812 20 0 JJADRN Cc1cc(C)n(CCCC(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001435145717 1064545802 /nfs/dbraw/zinc/54/58/02/1064545802.db2.gz UBHICGVQWBLBPS-UHFFFAOYSA-N 0 0 458.578 4.852 20 0 JJADRN Cc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)oc1Br ZINC001435145454 1064545838 /nfs/dbraw/zinc/54/58/38/1064545838.db2.gz WXNMFQJCVNMFIX-ZDUSSCGKSA-N 0 0 456.178 4.632 20 0 JJADRN CCN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858318 1064545953 /nfs/dbraw/zinc/54/59/53/1064545953.db2.gz KMJJWBPVZFYHQH-QFIPXVFZSA-N 0 0 455.436 4.707 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC001435146056 1064546335 /nfs/dbraw/zinc/54/63/35/1064546335.db2.gz XYKXVRVURZTYEJ-UHFFFAOYSA-N 0 0 457.539 4.941 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Br)ccc2OC)CC1 ZINC001435145929 1064546375 /nfs/dbraw/zinc/54/63/75/1064546375.db2.gz ZRXGTNCTMRJTPU-LJQANCHMSA-N 0 0 453.327 4.645 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)cc2)n1 ZINC001435145981 1064546395 /nfs/dbraw/zinc/54/63/95/1064546395.db2.gz VOIHIMGWGLOQMK-HHHXNRCGSA-N 0 0 458.562 4.969 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435146679 1064546924 /nfs/dbraw/zinc/54/69/24/1064546924.db2.gz BGVCOVXYIAOWSF-INIZCTEOSA-N 0 0 459.281 4.935 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001435146976 1064547158 /nfs/dbraw/zinc/54/71/58/1064547158.db2.gz CECTXKYAGJLFIL-KDOFPFPSSA-N 0 0 451.514 4.540 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CCCC(F)(F)F ZINC001359859499 1064547123 /nfs/dbraw/zinc/54/71/23/1064547123.db2.gz DFCJOHZGNNCJFE-UHFFFAOYSA-N 0 0 473.971 4.674 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC[C@@H]1CCCCO1 ZINC001359860268 1064549565 /nfs/dbraw/zinc/54/95/65/1064549565.db2.gz HTNLYAIEIZIZRD-NRFANRHFSA-N 0 0 474.719 4.512 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC[C@H]1CCCCO1 ZINC001359860269 1064549722 /nfs/dbraw/zinc/54/97/22/1064549722.db2.gz HTNLYAIEIZIZRD-OAQYLSRUSA-N 0 0 474.719 4.512 20 0 JJADRN CC1(C)CC[C@@H](CC(=O)Nc2cc(I)ccc2Br)OC1 ZINC001359860735 1064550231 /nfs/dbraw/zinc/55/02/31/1064550231.db2.gz RKUFCNXVUSLESY-NSHDSACASA-N 0 0 452.130 4.588 20 0 JJADRN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001435150273 1064550258 /nfs/dbraw/zinc/55/02/58/1064550258.db2.gz XDWLNTWUHSCVIB-UHFFFAOYSA-N 0 0 454.399 4.960 20 0 JJADRN O=C(Cn1ccc2ccccc2c1=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001435150059 1064550289 /nfs/dbraw/zinc/55/02/89/1064550289.db2.gz VPXLVHNIKXOQMB-UHFFFAOYSA-N 0 0 453.420 4.524 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CCc1cccs1 ZINC001359860759 1064550288 /nfs/dbraw/zinc/55/02/88/1064550288.db2.gz VMKOKJFZDMJCHG-UHFFFAOYSA-N 0 0 474.074 4.635 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435151454 1064551121 /nfs/dbraw/zinc/55/11/21/1064551121.db2.gz VEOVSZLNYXVKTQ-ZFWWWQNUSA-N 0 0 457.290 4.630 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC001435151396 1064551243 /nfs/dbraw/zinc/55/12/43/1064551243.db2.gz BHBTVJTYQQJDLS-MRXNPFEDSA-N 0 0 453.539 4.925 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC001435151565 1064551736 /nfs/dbraw/zinc/55/17/36/1064551736.db2.gz DQWZTHSMXJDAEQ-GOSISDBHSA-N 0 0 453.896 4.859 20 0 JJADRN COc1cc(N(C)C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC ZINC001435154177 1064552026 /nfs/dbraw/zinc/55/20/26/1064552026.db2.gz GXCKMGDOPVJAGO-UHFFFAOYSA-N 0 0 450.322 4.790 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001435153747 1064552123 /nfs/dbraw/zinc/55/21/23/1064552123.db2.gz DVYSLRMUZFBIIO-QFZRFWILSA-N 0 0 453.579 4.506 20 0 JJADRN CCCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c(OC(C)C)c1 ZINC001359861677 1064552657 /nfs/dbraw/zinc/55/26/57/1064552657.db2.gz CGCIUNITKOZNER-UHFFFAOYSA-N 0 0 453.608 4.830 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC001435155396 1064553073 /nfs/dbraw/zinc/55/30/73/1064553073.db2.gz NWHFXACACMQSBA-CFCCAZDESA-N 0 0 452.979 4.635 20 0 JJADRN COc1cc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O ZINC001435156708 1064553564 /nfs/dbraw/zinc/55/35/64/1064553564.db2.gz GVDLXNYLKZCPFA-GOSISDBHSA-N 0 0 451.350 4.624 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCC(OCC2CCCCC2)CC1 ZINC001435156609 1064553580 /nfs/dbraw/zinc/55/35/80/1064553580.db2.gz SQGPUFYTMMNYMX-UHFFFAOYSA-N 0 0 455.620 4.862 20 0 JJADRN O=C(Nc1cccc(OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)c1ccco1 ZINC001435156966 1064554321 /nfs/dbraw/zinc/55/43/21/1064554321.db2.gz IGNYNRFPSPWGLF-QGZVFWFLSA-N 0 0 452.894 4.643 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)cc1 ZINC001435157072 1064554362 /nfs/dbraw/zinc/55/43/62/1064554362.db2.gz TZHKSBNRSTZDON-JLBUNGTFSA-N 0 0 455.723 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359864309 1064554341 /nfs/dbraw/zinc/55/43/41/1064554341.db2.gz JZOSIDFLYOIYMY-NRFANRHFSA-N 0 0 457.619 4.733 20 0 JJADRN C[C@H](C(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(I)cc1 ZINC001435158063 1064554828 /nfs/dbraw/zinc/55/48/28/1064554828.db2.gz YURWIGFIOYFNDM-INIZCTEOSA-N 0 0 455.380 4.983 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001359865051 1064554902 /nfs/dbraw/zinc/55/49/02/1064554902.db2.gz AYIGANUMPCARQC-CGYQNGNCSA-N 0 0 467.441 4.912 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001359865055 1064554924 /nfs/dbraw/zinc/55/49/24/1064554924.db2.gz AYIGANUMPCARQC-ITSWEJNFSA-N 0 0 467.441 4.912 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359865792 1064555790 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CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359866531 1064558128 /nfs/dbraw/zinc/55/81/28/1064558128.db2.gz TWWAWSWMWRJHKY-DWACAAAGSA-N 0 0 497.684 4.876 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001359866514 1064558180 /nfs/dbraw/zinc/55/81/80/1064558180.db2.gz SUJOYXXJKOMGBE-UNWVZKJWSA-N 0 0 491.474 4.878 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359866660 1064558709 /nfs/dbraw/zinc/55/87/09/1064558709.db2.gz WQCYRJZXWIVLGW-RBISFHTESA-N 0 0 497.684 4.876 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC001435163044 1064558789 /nfs/dbraw/zinc/55/87/89/1064558789.db2.gz VYPVASGSFKKREH-GOSISDBHSA-N 0 0 455.382 4.742 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@@H]1CC[C@H](F)C1 ZINC001359867446 1064559292 /nfs/dbraw/zinc/55/92/92/1064559292.db2.gz BQHYLUNVSLPZEX-KPFFTGBYSA-N 0 0 452.521 4.794 20 0 JJADRN 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PKUKXZBWNJWSBV-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CN(C)c1ncc(Br)cc1C(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001359872118 1064563263 /nfs/dbraw/zinc/56/32/63/1064563263.db2.gz CWHQBAXFOXGKHA-UHFFFAOYSA-N 0 0 458.287 4.521 20 0 JJADRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cn1)c1ccc(F)cc1I ZINC001359871727 1064563299 /nfs/dbraw/zinc/56/32/99/1064563299.db2.gz PMYLPVBEJBNYDW-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3O[C@H](C)c3ccccc3)C2=O)c1 ZINC001435168035 1064563548 /nfs/dbraw/zinc/56/35/48/1064563548.db2.gz IQGNUVUIHHAABM-XXBNENTESA-N 0 0 457.530 4.979 20 0 JJADRN O=C(Nc1ccc(OC(=O)c2cc(Br)c3nccn3c2)cc1)c1ccc(F)cc1 ZINC001359872247 1064563704 /nfs/dbraw/zinc/56/37/04/1064563704.db2.gz HWNKEPMXTXYUBD-UHFFFAOYSA-N 0 0 454.255 4.707 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001435168155 1064563985 /nfs/dbraw/zinc/56/39/85/1064563985.db2.gz ALBXJQQJFURRLZ-QNLPTKCRSA-N 0 0 454.636 4.734 20 0 JJADRN CCc1ccc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C(=O)OC)c1 ZINC001435168754 1064564125 /nfs/dbraw/zinc/56/41/25/1064564125.db2.gz CXZNAJKFZSILFA-CYBMUJFWSA-N 0 0 459.593 4.623 20 0 JJADRN CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c(C(=O)OC)c1 ZINC001435169790 1064564744 /nfs/dbraw/zinc/56/47/44/1064564744.db2.gz FSMLOEKAIJQZRH-UHFFFAOYSA-N 0 0 451.544 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCc1ccccc1C(F)(F)F ZINC001359874104 1064564972 /nfs/dbraw/zinc/56/49/72/1064564972.db2.gz QRWJNMBWXPIFNS-HXUWFJFHSA-N 0 0 450.549 4.991 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)CCCc3sccc3C)c2)cc1 ZINC001435170166 1064565170 /nfs/dbraw/zinc/56/51/70/1064565170.db2.gz NYOVREVTZMWAEU-UHFFFAOYSA-N 0 0 458.605 4.505 20 0 JJADRN O=C(CCN1C(=O)CCc2cc(F)ccc21)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001435169842 1064565256 /nfs/dbraw/zinc/56/52/56/1064565256.db2.gz HDIWBHMDJOBNPO-JGCGQSQUSA-N 0 0 456.583 4.715 20 0 JJADRN 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CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCc1ccc(Cl)cc1 ZINC001359877958 1064568317 /nfs/dbraw/zinc/56/83/17/1064568317.db2.gz ZGCXCTFVOYJDIM-BGYRXZFFSA-N 0 0 474.049 4.676 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1F ZINC001359877785 1064568422 /nfs/dbraw/zinc/56/84/22/1064568422.db2.gz LIMTZBFITLALRT-INIZCTEOSA-N 0 0 456.392 4.751 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2COCCO2)C1 ZINC001359877984 1064568836 /nfs/dbraw/zinc/56/88/36/1064568836.db2.gz FNOUONVAPFTKER-NVXWUHKLSA-N 0 0 483.838 4.649 20 0 JJADRN O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001435176440 1064569984 /nfs/dbraw/zinc/56/99/84/1064569984.db2.gz UVJZOPVGBCQNHZ-INIZCTEOSA-N 0 0 451.376 4.736 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001359878531 1064570054 /nfs/dbraw/zinc/57/00/54/1064570054.db2.gz JKAZMRQJTBHGLJ-KRWDZBQOSA-N 0 0 476.463 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC001435177559 1064570403 /nfs/dbraw/zinc/57/04/03/1064570403.db2.gz KWTIQFSAKPKVQX-XHDPSFHLSA-N 0 0 454.848 4.815 20 0 JJADRN CN(C)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)nc1 ZINC001435177678 1064570512 /nfs/dbraw/zinc/57/05/12/1064570512.db2.gz LTGZNKKRDAEQRU-UHFFFAOYSA-N 0 0 455.301 4.507 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)C1 ZINC001359878761 1064570708 /nfs/dbraw/zinc/57/07/08/1064570708.db2.gz MTVWOLHIMJQYEY-RTBURBONSA-N 0 0 459.610 4.592 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](F)C2)C1 ZINC001359879285 1064571743 /nfs/dbraw/zinc/57/17/43/1064571743.db2.gz SIWYVHDNDRGZFQ-ZJOUEHCJSA-N 0 0 462.013 4.872 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2CCOCC2)C1 ZINC001359879295 1064571760 /nfs/dbraw/zinc/57/17/60/1064571760.db2.gz SNYRLSKPKDHYEH-SFHVURJKSA-N 0 0 464.452 4.735 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cn3)cc2)CC1 ZINC001435180551 1064572271 /nfs/dbraw/zinc/57/22/71/1064572271.db2.gz SXVQQURPZZPTEU-UHFFFAOYSA-N 0 0 451.548 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2COCCO2)C1 ZINC001359879404 1064572995 /nfs/dbraw/zinc/57/29/95/1064572995.db2.gz VGULWJWHXLKDME-IPJJNNNSSA-N 0 0 463.022 4.749 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435182180 1064573177 /nfs/dbraw/zinc/57/31/77/1064573177.db2.gz ZTWODGAYAUMALR-JOCHJYFZSA-N 0 0 451.364 4.935 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001359879944 1064573298 /nfs/dbraw/zinc/57/32/98/1064573298.db2.gz ISMQVNZUMWMQNA-QVKFZJNVSA-N 0 0 450.362 4.926 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)n1 ZINC001359879947 1064573502 /nfs/dbraw/zinc/57/35/02/1064573502.db2.gz ISNAEQVFRPNWJV-UHFFFAOYSA-N 0 0 459.506 4.908 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001359880774 1064573952 /nfs/dbraw/zinc/57/39/52/1064573952.db2.gz IWHNUXJTLQOVPG-BPQIPLTHSA-N 0 0 453.414 4.664 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001435184091 1064574034 /nfs/dbraw/zinc/57/40/34/1064574034.db2.gz LQHZYTZWMLUXCN-SFHVURJKSA-N 0 0 457.571 4.532 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001435184180 1064574164 /nfs/dbraw/zinc/57/41/64/1064574164.db2.gz MBVRBDSAXGGBJB-UXHICEINSA-N 0 0 459.546 4.500 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@@H]2CCOC2)C1 ZINC001359880840 1064574291 /nfs/dbraw/zinc/57/42/91/1064574291.db2.gz JXKHUWFJKJRIJA-PKOBYXMFSA-N 0 0 495.437 4.915 20 0 JJADRN CSc1ncc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1-c1ccccc1 ZINC001435184874 1064574635 /nfs/dbraw/zinc/57/46/35/1064574635.db2.gz NXHXGBVLADIHFY-KRWDZBQOSA-N 0 0 457.559 4.733 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC001359881097 1064574919 /nfs/dbraw/zinc/57/49/19/1064574919.db2.gz RYAYXEAHHJBCDG-JOCHJYFZSA-N 0 0 452.551 4.813 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 ZINC001359881206 1064575071 /nfs/dbraw/zinc/57/50/71/1064575071.db2.gz UTAPZRBTBGJGCC-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001359881679 1064575444 /nfs/dbraw/zinc/57/54/44/1064575444.db2.gz RJEOUCZLYYNSBO-JPYJTQIMSA-N 0 0 459.516 4.663 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1 ZINC001435187090 1064576662 /nfs/dbraw/zinc/57/66/62/1064576662.db2.gz UFVGGCNRXSZZRB-UHFFFAOYSA-N 0 0 459.413 4.856 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ncccc3OCC(F)(F)F)s2)cc1 ZINC001435188251 1064577363 /nfs/dbraw/zinc/57/73/63/1064577363.db2.gz CKIKBGZNPIWKGF-LBPRGKRZSA-N 0 0 451.470 4.954 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359883541 1064577844 /nfs/dbraw/zinc/57/78/44/1064577844.db2.gz IQOVTHNRZLHNTA-RBBKRZOGSA-N 0 0 497.581 4.534 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)s2)cc1 ZINC001435189148 1064578345 /nfs/dbraw/zinc/57/83/45/1064578345.db2.gz PNIMIRLRNWSHQO-HNNXBMFYSA-N 0 0 458.605 4.800 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1S(=O)(=O)N1CCCC1 ZINC001435188963 1064578627 /nfs/dbraw/zinc/57/86/27/1064578627.db2.gz FRURPSRBAMSKQB-JKSUJKDBSA-N 0 0 469.390 4.529 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)s2)cc1 ZINC001435189241 1064579126 /nfs/dbraw/zinc/57/91/26/1064579126.db2.gz QMGICJMQDXUUCB-IFXJQAMLSA-N 0 0 457.621 4.820 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359884789 1064579238 /nfs/dbraw/zinc/57/92/38/1064579238.db2.gz QLJHGLBFWHVMAN-MSOLQXFVSA-N 0 0 467.536 4.537 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359884901 1064579820 /nfs/dbraw/zinc/57/98/20/1064579820.db2.gz SDMHRKASOKVGTH-OFNKIYASSA-N 0 0 499.656 4.920 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001435190631 1064580435 /nfs/dbraw/zinc/58/04/35/1064580435.db2.gz HPKAEOHQXDSRFV-YADHBBJMSA-N 0 0 459.631 4.762 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC001435191627 1064580483 /nfs/dbraw/zinc/58/04/83/1064580483.db2.gz WOSFOYAARIPIQQ-UHFFFAOYSA-N 0 0 453.844 4.654 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190791 1064580653 /nfs/dbraw/zinc/58/06/53/1064580653.db2.gz IGIFHMDBSZISPS-BFYDXBDKSA-N 0 0 459.509 4.533 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359885734 1064580664 /nfs/dbraw/zinc/58/06/64/1064580664.db2.gz FJXRUAFLHJIVBS-GOTSBHOMSA-N 0 0 483.701 4.748 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2cn[nH]c2)C1 ZINC001359885935 1064581342 /nfs/dbraw/zinc/58/13/42/1064581342.db2.gz IMBIJBLKFCZLQN-HXUWFJFHSA-N 0 0 450.631 4.993 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)C1 ZINC001359885773 1064581533 /nfs/dbraw/zinc/58/15/33/1064581533.db2.gz GRERXSWHINJKKF-MOPGFXCFSA-N 0 0 474.675 4.922 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@](C)=O)CCC2)C1 ZINC001359886517 1064581820 /nfs/dbraw/zinc/58/18/20/1064581820.db2.gz MMGTWQONXAFMFL-DRKIFQHWSA-N 0 0 465.063 4.684 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)cc12 ZINC001435194239 1064582992 /nfs/dbraw/zinc/58/29/92/1064582992.db2.gz INJSAGHLGXTJBK-QGZVFWFLSA-N 0 0 454.596 4.833 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC001435195320 1064583101 /nfs/dbraw/zinc/58/31/01/1064583101.db2.gz HZUGVCPMRSBGSR-NBGIEHNGSA-N 0 0 451.588 4.688 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cccc(F)c2)C1 ZINC001359887434 1064583621 /nfs/dbraw/zinc/58/36/21/1064583621.db2.gz VJQXLFYNKAOIAN-HXUWFJFHSA-N 0 0 469.630 4.914 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001435195260 1064583547 /nfs/dbraw/zinc/58/35/47/1064583547.db2.gz PFQBSEXBLUBYFL-BRAWNXGXSA-N 0 0 457.983 4.789 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CCC2)C1 ZINC001359887738 1064583831 /nfs/dbraw/zinc/58/38/31/1064583831.db2.gz XZVBZOSORRZSKF-WSYWFWNMSA-N 0 0 493.718 4.524 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cccc2c(Br)cccc12)c1noc(C)n1 ZINC001435195788 1064583885 /nfs/dbraw/zinc/58/38/85/1064583885.db2.gz RCCUAPCFFIQVGH-FQEVSTJZSA-N 0 0 452.308 4.822 20 0 JJADRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001435196187 1064584200 /nfs/dbraw/zinc/58/42/00/1064584200.db2.gz MSBXZARIDCNRCQ-WEMPKCCASA-N 0 0 458.599 4.511 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001435196115 1064584369 /nfs/dbraw/zinc/58/43/69/1064584369.db2.gz LMOIRAYSMZYJIP-UHFFFAOYSA-N 0 0 450.436 4.532 20 0 JJADRN O=C(CCNC(=O)c1ccsc1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888015 1064584574 /nfs/dbraw/zinc/58/45/74/1064584574.db2.gz RSNSOFWFBYIWHD-AWEZNQCLSA-N 0 0 450.276 4.867 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc(F)c(Cl)nc1Cl ZINC001435196414 1064584686 /nfs/dbraw/zinc/58/46/86/1064584686.db2.gz CDTGCGYZINFNIM-UHFFFAOYSA-N 0 0 458.118 4.982 20 0 JJADRN COC(=O)Cc1csc(N(C)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)n1 ZINC001435197406 1064585207 /nfs/dbraw/zinc/58/52/07/1064585207.db2.gz XKWLTZPLIXOQOY-UHFFFAOYSA-N 0 0 456.467 4.762 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC001435196677 1064585242 /nfs/dbraw/zinc/58/52/42/1064585242.db2.gz ZFISYRATUXJRPF-VWLOTQADSA-N 0 0 456.542 4.679 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1 ZINC001359888518 1064585409 /nfs/dbraw/zinc/58/54/09/1064585409.db2.gz DXZVBFXKOQUKDD-NRFANRHFSA-N 0 0 478.460 4.988 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c1 ZINC001435196863 1064585416 /nfs/dbraw/zinc/58/54/16/1064585416.db2.gz BDELIXVGUBOQHV-CQSZACIVSA-N 0 0 458.356 4.710 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c(-c2cccs2)n1 ZINC001435197684 1064585727 /nfs/dbraw/zinc/58/57/27/1064585727.db2.gz IFHZAVVXQMDOGG-UHFFFAOYSA-N 0 0 456.369 4.603 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)c1noc(C)n1 ZINC001435197423 1064585771 /nfs/dbraw/zinc/58/57/71/1064585771.db2.gz FQWXDIHIEKDDFL-HXUWFJFHSA-N 0 0 450.322 4.758 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001359888644 1064586020 /nfs/dbraw/zinc/58/60/20/1064586020.db2.gz HLPXFNIUCHTEAH-MHPIHPPYSA-N 0 0 468.671 4.853 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC[C@@H]1C ZINC001359888798 1064586478 /nfs/dbraw/zinc/58/64/78/1064586478.db2.gz INLWQCSBGUNBTO-AOMKIAJQSA-N 0 0 454.587 4.675 20 0 JJADRN Cc1ccc([C@H](NC(=O)CSCc2cccs2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435198946 1064586826 /nfs/dbraw/zinc/58/68/26/1064586826.db2.gz UIOAGXKNAVHINE-HSZRJFAPSA-N 0 0 459.658 4.907 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CSCc2cccs2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435198958 1064586873 /nfs/dbraw/zinc/58/68/73/1064586873.db2.gz UIOAGXKNAVHINE-QHCPKHFHSA-N 0 0 459.658 4.907 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001359889011 1064586859 /nfs/dbraw/zinc/58/68/59/1064586859.db2.gz KESKYADKEBAASV-SQJMNOBHSA-N 0 0 476.065 4.527 20 0 JJADRN COc1ccc(CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c(C(F)(F)F)c1 ZINC001359889269 1064587289 /nfs/dbraw/zinc/58/72/89/1064587289.db2.gz JFDHYYXLEDGQPB-UHFFFAOYSA-N 0 0 458.465 4.953 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CCc2ccccc21 ZINC001435200437 1064587688 /nfs/dbraw/zinc/58/76/88/1064587688.db2.gz YURXCXOQPVASJE-LJQANCHMSA-N 0 0 456.258 4.603 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001359890049 1064588722 /nfs/dbraw/zinc/58/87/22/1064588722.db2.gz QZUAPZJTSJETPW-RBJSKKJNSA-N 0 0 494.684 4.532 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435202497 1064589102 /nfs/dbraw/zinc/58/91/02/1064589102.db2.gz GRMUTUNWJZOSDX-UZLBHIALSA-N 0 0 451.007 4.947 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001359890135 1064589178 /nfs/dbraw/zinc/58/91/78/1064589178.db2.gz HSABFQNAWCXLJM-AFMDSPMNSA-N 0 0 456.631 4.776 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001359890369 1064589702 /nfs/dbraw/zinc/58/97/02/1064589702.db2.gz TVQLURSKGNYODJ-JJTGBXKASA-N 0 0 488.698 4.695 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001359890368 1064589744 /nfs/dbraw/zinc/58/97/44/1064589744.db2.gz TVQLURSKGNYODJ-HNVPCBRESA-N 0 0 488.698 4.695 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@@H]1C ZINC001359890351 1064589856 /nfs/dbraw/zinc/58/98/56/1064589856.db2.gz SUKAKCZVWWBIAA-IXFSTUDKSA-N 0 0 450.624 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC001435203892 1064590028 /nfs/dbraw/zinc/59/00/28/1064590028.db2.gz HEKPFSFUDWAJHW-JOCHJYFZSA-N 0 0 458.599 4.858 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 ZINC001435204297 1064590173 /nfs/dbraw/zinc/59/01/73/1064590173.db2.gz NOAUFJDPFNRDOL-NRFANRHFSA-N 0 0 451.889 4.911 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)/C=C/c3ccc(C(N)=O)o3)cc21 ZINC001435203779 1064590189 /nfs/dbraw/zinc/59/01/89/1064590189.db2.gz BDLRGLLXCDHMIS-JLHYYAGUSA-N 0 0 450.491 4.552 20 0 JJADRN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccn(-c2cccc(Br)c2)n1 ZINC001435204109 1064590288 /nfs/dbraw/zinc/59/02/88/1064590288.db2.gz KNVMPCYEWKMWOV-UHFFFAOYSA-N 0 0 456.340 4.693 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359890650 1064590188 /nfs/dbraw/zinc/59/01/88/1064590188.db2.gz UVJBSXZDVFATHH-CEYNDMKZSA-N 0 0 462.610 4.748 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001359890485 1064590273 /nfs/dbraw/zinc/59/02/73/1064590273.db2.gz KRGJJLUXHZLNLD-HSZRJFAPSA-N 0 0 462.038 4.578 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC001435205224 1064590577 /nfs/dbraw/zinc/59/05/77/1064590577.db2.gz XTUZTFPFJZGFOY-UHFFFAOYSA-N 0 0 451.304 4.657 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC(c3ccccc3C)=NO2)c1C ZINC001435205231 1064590967 /nfs/dbraw/zinc/59/09/67/1064590967.db2.gz DPISINONEBEJSI-HXUWFJFHSA-N 0 0 453.340 4.692 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001359891039 1064591010 /nfs/dbraw/zinc/59/10/10/1064591010.db2.gz NSIHPZMCFUZNCY-AREMUKBSSA-N 0 0 481.666 4.593 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cc(Br)cn2C)c1C ZINC001435205955 1064591472 /nfs/dbraw/zinc/59/14/72/1064591472.db2.gz JEFKRJNNMDVBRO-UHFFFAOYSA-N 0 0 452.150 4.605 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359891162 1064591246 /nfs/dbraw/zinc/59/12/46/1064591246.db2.gz OVWTYLHWLLLFHS-RHGYRFJNSA-N 0 0 478.584 4.631 20 0 JJADRN CCCc1c(C(=O)N(Cc2ccccc2)C2CC2)nnn1Cc1cccc(Br)c1 ZINC001435206552 1064591927 /nfs/dbraw/zinc/59/19/27/1064591927.db2.gz KSRXDMVRTICBAM-UHFFFAOYSA-N 0 0 453.384 4.846 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001359891361 1064592135 /nfs/dbraw/zinc/59/21/35/1064592135.db2.gz QFVGOFMCWPCSKA-LAUBAEHRSA-N 0 0 489.970 4.728 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359891369 1064592166 /nfs/dbraw/zinc/59/21/66/1064592166.db2.gz ZPGJYQYQLAXIEN-LVXARBLLSA-N 0 0 490.092 4.917 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001359891365 1064592224 /nfs/dbraw/zinc/59/22/24/1064592224.db2.gz QFVGOFMCWPCSKA-UWJYYQICSA-N 0 0 489.970 4.728 20 0 JJADRN CCc1ccc([C@H](COC)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)o1 ZINC001435209011 1064592933 /nfs/dbraw/zinc/59/29/33/1064592933.db2.gz UFDPFVJFZGXMOA-BEFAXECRSA-N 0 0 453.366 4.505 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359891797 1064593287 /nfs/dbraw/zinc/59/32/87/1064593287.db2.gz XMEPKDBNTLQAKF-GOSISDBHSA-N 0 0 481.485 4.792 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001435211391 1064593551 /nfs/dbraw/zinc/59/35/51/1064593551.db2.gz CNBMNRRPMHSUNQ-UHFFFAOYSA-N 0 0 456.329 4.665 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359891899 1064593565 /nfs/dbraw/zinc/59/35/65/1064593565.db2.gz YZTLQWXUMKMKHD-HOFKKMOUSA-N 0 0 467.658 4.875 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1cc(F)ccc1F ZINC001435211693 1064593621 /nfs/dbraw/zinc/59/36/21/1064593621.db2.gz DNIUMTHFBAXNIU-ZMPRRUGASA-N 0 0 450.551 4.513 20 0 JJADRN CCOCc1nc(C)c(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)s1 ZINC001435212749 1064594099 /nfs/dbraw/zinc/59/40/99/1064594099.db2.gz MXNCGIAJAKQOTK-UHFFFAOYSA-N 0 0 451.592 4.579 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)Cc1ccccc1OC(F)F ZINC001435212054 1064594196 /nfs/dbraw/zinc/59/41/96/1064594196.db2.gz JWHUIEMXOBITLH-UHFFFAOYSA-N 0 0 452.501 4.808 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 ZINC001359893161 1064594226 /nfs/dbraw/zinc/59/42/26/1064594226.db2.gz CVUDKIAIMSIFPG-HFZDXXHNSA-N 0 0 477.694 4.816 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)[C@H]1c1ccc(OC)cc1 ZINC001435213217 1064594629 /nfs/dbraw/zinc/59/46/29/1064594629.db2.gz YJQBBNYNGWRJGE-SQJMNOBHSA-N 0 0 451.567 4.599 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001359894227 1064595011 /nfs/dbraw/zinc/59/50/11/1064595011.db2.gz MHTMIHJWIIVNQL-KJWPAHLWSA-N 0 0 475.703 4.652 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC001435213862 1064595242 /nfs/dbraw/zinc/59/52/42/1064595242.db2.gz MBXUBADCEMGWQB-DEOSSOPVSA-N 0 0 459.521 4.750 20 0 JJADRN CCCN(C(=O)c1nn2c(c1Br)CCC2)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214270 1064595513 /nfs/dbraw/zinc/59/55/13/1064595513.db2.gz VJLXRHWRIMFGMX-NRFANRHFSA-N 0 0 457.347 4.768 20 0 JJADRN CCCN(C(=O)Cn1cc(C(=O)OC)c2ccccc21)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214539 1064595705 /nfs/dbraw/zinc/59/57/05/1064595705.db2.gz ALBYGKBGTWALAH-AREMUKBSSA-N 0 0 459.521 4.990 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001359894535 1064595664 /nfs/dbraw/zinc/59/56/64/1064595664.db2.gz NXKZLDHOVMMAST-SANMLTNESA-N 0 0 454.659 4.554 20 0 JJADRN O=C(c1ccc2ccc(Br)cc2c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001435215049 1064595985 /nfs/dbraw/zinc/59/59/85/1064595985.db2.gz ZOSXWLWWZPLKHP-UHFFFAOYSA-N 0 0 457.755 4.740 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001359894756 1064595969 /nfs/dbraw/zinc/59/59/69/1064595969.db2.gz QXAMICVJEOYTGQ-HSZRJFAPSA-N 0 0 481.472 4.761 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001359894757 1064596052 /nfs/dbraw/zinc/59/60/52/1064596052.db2.gz QXAMICVJEOYTGQ-QHCPKHFHSA-N 0 0 481.472 4.761 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001359895289 1064596602 /nfs/dbraw/zinc/59/66/02/1064596602.db2.gz AKTWFLGHCKGVMN-BKMJKUGQSA-N 0 0 485.076 4.957 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001359895290 1064596841 /nfs/dbraw/zinc/59/68/41/1064596841.db2.gz AKTWFLGHCKGVMN-GJZUVCINSA-N 0 0 485.076 4.957 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCc3cc(C)ccc3O2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217214 1064597730 /nfs/dbraw/zinc/59/77/30/1064597730.db2.gz PDBXSNHTZDEWLW-VDKIKQQVSA-N 0 0 450.579 4.727 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359895957 1064597826 /nfs/dbraw/zinc/59/78/26/1064597826.db2.gz KRPQOMHAJMCYDF-QNJCZANYSA-N 0 0 478.584 4.705 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001359895829 1064597862 /nfs/dbraw/zinc/59/78/62/1064597862.db2.gz IQCOKQMAIUUGGX-YTZAWJCFSA-N 0 0 491.474 4.855 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C1CC1 ZINC001435218070 1064598221 /nfs/dbraw/zinc/59/82/21/1064598221.db2.gz DFKPLGCMRVEPKG-HSZRJFAPSA-N 0 0 453.336 4.736 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359895959 1064598408 /nfs/dbraw/zinc/59/84/08/1064598408.db2.gz KRPQOMHAJMCYDF-YVXPOVKHSA-N 0 0 478.584 4.705 20 0 JJADRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001435219566 1064599392 /nfs/dbraw/zinc/59/93/92/1064599392.db2.gz CZBHONXDNQYQNF-VGOFRKELSA-N 0 0 453.970 4.935 20 0 JJADRN O=C(N[C@@H](COCc1ccccc1)c1ccccc1)[C@H]1COc2ccc(Br)cc21 ZINC001435220268 1064599984 /nfs/dbraw/zinc/59/99/84/1064599984.db2.gz RHXLZLYHKXVYMS-VXKWHMMOSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001359897285 1064599869 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CQPJZSKBUOTOME-AGXIJRPPSA-N 0 0 450.576 4.694 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC001359907064 1064622418 /nfs/dbraw/zinc/62/24/18/1064622418.db2.gz SPYLCZSSSAPVJQ-UHFFFAOYSA-N 0 0 450.482 4.763 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001435244011 1064622707 /nfs/dbraw/zinc/62/27/07/1064622707.db2.gz JNLNNAVTZYHWGC-WCYRKSIYSA-N 0 0 456.627 4.582 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001435244009 1064622724 /nfs/dbraw/zinc/62/27/24/1064622724.db2.gz JNLNNAVTZYHWGC-QHWMMSMNSA-N 0 0 456.627 4.582 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)c2ccc(Cl)cc21 ZINC001435243891 1064622826 /nfs/dbraw/zinc/62/28/26/1064622826.db2.gz PXQSSMSGDJSEDA-HNNXBMFYSA-N 0 0 457.958 4.749 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)c2c1CCC2 ZINC001435246035 1064623711 /nfs/dbraw/zinc/62/37/11/1064623711.db2.gz MMNHAYVGAZCRBC-SANMLTNESA-N 0 0 454.615 4.729 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001435247206 1064624590 /nfs/dbraw/zinc/62/45/90/1064624590.db2.gz NQNJNBFFPDEASD-AVRDEDQJSA-N 0 0 455.986 4.945 20 0 JJADRN CC(C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359908033 1064624645 /nfs/dbraw/zinc/62/46/45/1064624645.db2.gz RNMKZTKZTDIGQU-ZWKOTPCHSA-N 0 0 489.583 4.801 20 0 JJADRN CC(C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359908032 1064624663 /nfs/dbraw/zinc/62/46/63/1064624663.db2.gz RNMKZTKZTDIGQU-ROUUACIJSA-N 0 0 489.583 4.801 20 0 JJADRN Cc1ccc(CCOC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)cc1 ZINC001435247311 1064624986 /nfs/dbraw/zinc/62/49/86/1064624986.db2.gz XIGLPEBGBIMZJM-UHFFFAOYSA-N 0 0 454.246 4.757 20 0 JJADRN CC(C)CCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001359908354 1064625369 /nfs/dbraw/zinc/62/53/69/1064625369.db2.gz BGFAJPSOSGVSAP-HXUWFJFHSA-N 0 0 457.667 4.837 20 0 JJADRN CCCN(C(=O)CC1(C(=O)OCC)CCOCC1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435249019 1064625891 /nfs/dbraw/zinc/62/58/91/1064625891.db2.gz CWAXKJXVVDMJKR-XMMPIXPASA-N 0 0 456.558 4.607 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC001435248394 1064626024 /nfs/dbraw/zinc/62/60/24/1064626024.db2.gz LGXIJPRRVUEWNR-UHFFFAOYSA-N 0 0 452.530 4.931 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCc1cc(F)ccc1Br ZINC001435248769 1064626037 /nfs/dbraw/zinc/62/60/37/1064626037.db2.gz ZPRQQWLDCQQLTN-OAQYLSRUSA-N 0 0 459.400 4.967 20 0 JJADRN CC(C)CCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001359909135 1064626119 /nfs/dbraw/zinc/62/61/19/1064626119.db2.gz RUPPGYADFXQZDA-UHFFFAOYSA-N 0 0 457.688 4.986 20 0 JJADRN CCCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435249378 1064626518 /nfs/dbraw/zinc/62/65/18/1064626518.db2.gz FOGIHUZKAZOFIN-QHCPKHFHSA-N 0 0 458.530 4.714 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N1CCOCC1 ZINC001359910896 1064627626 /nfs/dbraw/zinc/62/76/26/1064627626.db2.gz FJRBCFPVFLNIDQ-UHFFFAOYSA-N 0 0 476.046 4.544 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1 ZINC001435251067 1064627633 /nfs/dbraw/zinc/62/76/33/1064627633.db2.gz AUQKUAVCVXNBDN-UHFFFAOYSA-N 0 0 457.357 4.905 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cc(-c2ccncc2)nn1C ZINC001435251539 1064628558 /nfs/dbraw/zinc/62/85/58/1064628558.db2.gz FNFFNNACDUIBDL-UHFFFAOYSA-N 0 0 452.312 4.714 20 0 JJADRN CC(C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001359911860 1064629137 /nfs/dbraw/zinc/62/91/37/1064629137.db2.gz GYYCLCDPGLFCBY-HBMCJLEFSA-N 0 0 484.645 4.538 20 0 JJADRN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001435252734 1064629321 /nfs/dbraw/zinc/62/93/21/1064629321.db2.gz CTMXDERBQPNFAW-UHFFFAOYSA-N 0 0 456.269 4.688 20 0 JJADRN Cc1cc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)nn1-c1ccc(F)cc1 ZINC001435252952 1064629329 /nfs/dbraw/zinc/62/93/29/1064629329.db2.gz KVDNOYGISXTJSA-UHFFFAOYSA-N 0 0 450.470 4.799 20 0 JJADRN CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)C1CCOCC1 ZINC001435253568 1064630110 /nfs/dbraw/zinc/63/01/10/1064630110.db2.gz KSIVZOKCHULHPA-UHFFFAOYSA-N 0 0 454.571 4.582 20 0 JJADRN Cc1c(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cnn1-c1ccccc1F ZINC001435252968 1064630181 /nfs/dbraw/zinc/63/01/81/1064630181.db2.gz LHWZBINEKVNDAL-UHFFFAOYSA-N 0 0 450.470 4.799 20 0 JJADRN Cc1cccc([C@H](C)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001435253994 1064630302 /nfs/dbraw/zinc/63/03/02/1064630302.db2.gz OTATUNAJPPXLNM-HXUWFJFHSA-N 0 0 456.652 4.613 20 0 JJADRN Cc1cccc([C@@H](C)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001435253991 1064630322 /nfs/dbraw/zinc/63/03/22/1064630322.db2.gz OTATUNAJPPXLNM-FQEVSTJZSA-N 0 0 456.652 4.613 20 0 JJADRN CC(C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001359912345 1064630654 /nfs/dbraw/zinc/63/06/54/1064630654.db2.gz UJPQVZXWYQXRCI-UHFFFAOYSA-N 0 0 462.063 4.767 20 0 JJADRN C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435254493 1064631760 /nfs/dbraw/zinc/63/17/60/1064631760.db2.gz NCURPHUBOQKTDG-SBUREZEXSA-N 0 0 453.380 4.622 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)OC ZINC001359913688 1064632060 /nfs/dbraw/zinc/63/20/60/1064632060.db2.gz KRMQGIJNBOJPCH-KPZWWZAWSA-N 0 0 452.338 4.955 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)OC ZINC001359913691 1064632200 /nfs/dbraw/zinc/63/22/00/1064632200.db2.gz KRMQGIJNBOJPCH-XIKOKIGWSA-N 0 0 452.338 4.955 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N(C)Cc3cc4c(cc3OC(F)F)OCO4)c2C(C)C)cc1 ZINC001435255260 1064632666 /nfs/dbraw/zinc/63/26/66/1064632666.db2.gz KYUCWXVHRPQGAL-UHFFFAOYSA-N 0 0 457.477 4.906 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359914252 1064633018 /nfs/dbraw/zinc/63/30/18/1064633018.db2.gz DFNYFDQBSKVMAX-UHFFFAOYSA-N 0 0 479.915 4.854 20 0 JJADRN COC(=O)[C@](C)(NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1)c1ccccc1 ZINC001359913761 1064633103 /nfs/dbraw/zinc/63/31/03/1064633103.db2.gz MNZSZFLSOWPEHL-MUUNZHRXSA-N 0 0 456.542 4.981 20 0 JJADRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(C)(C)c1ccccc1 ZINC001435256927 1064633246 /nfs/dbraw/zinc/63/32/46/1064633246.db2.gz OFFCZFJKWDVGJF-ARHOYUFESA-N 0 0 454.636 4.572 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(C)(C)c1ccccc1 ZINC001435256929 1064634152 /nfs/dbraw/zinc/63/41/52/1064634152.db2.gz OFFCZFJKWDVGJF-CHAXEMQZSA-N 0 0 454.636 4.572 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)N1CCOCC1 ZINC001359914905 1064634697 /nfs/dbraw/zinc/63/46/97/1064634697.db2.gz PVWYTEFXSKUGHM-QFIPXVFZSA-N 0 0 469.033 4.549 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cnn(-c2ccccc2)c1 ZINC001359914900 1064634795 /nfs/dbraw/zinc/63/47/95/1064634795.db2.gz PVJFXIYMLFGDPR-UHFFFAOYSA-N 0 0 482.430 4.946 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCN1CCOC1=O ZINC001359914948 1064634808 /nfs/dbraw/zinc/63/48/08/1064634808.db2.gz RKAGSTOKVICIBI-UHFFFAOYSA-N 0 0 484.826 4.686 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359914505 1064634847 /nfs/dbraw/zinc/63/48/47/1064634847.db2.gz JRHCYRSDLQUKRD-SJORKVTESA-N 0 0 452.441 4.734 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359915079 1064636350 /nfs/dbraw/zinc/63/63/50/1064636350.db2.gz YMXWZWIYCKIZCP-UHFFFAOYSA-N 0 0 451.015 4.733 20 0 JJADRN CN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001435260396 1064636557 /nfs/dbraw/zinc/63/65/57/1064636557.db2.gz LPTRAXMREVOAQL-NRFANRHFSA-N 0 0 457.427 4.784 20 0 JJADRN CCn1c(SCC(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC001435261106 1064637653 /nfs/dbraw/zinc/63/76/53/1064637653.db2.gz MNEXJJWZLDPNFJ-WMZHIEFXSA-N 0 0 456.999 4.566 20 0 JJADRN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)o2)cc1 ZINC001435261828 1064637690 /nfs/dbraw/zinc/63/76/90/1064637690.db2.gz SUPQTQPHAFMOJU-IBGZPJMESA-N 0 0 457.452 4.552 20 0 JJADRN COc1cccc(COC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1OC(F)F ZINC001435261964 1064638360 /nfs/dbraw/zinc/63/83/60/1064638360.db2.gz XNXJAUCZGDDIMS-OAQYLSRUSA-N 0 0 453.441 4.737 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359917568 1064639483 /nfs/dbraw/zinc/63/94/83/1064639483.db2.gz HJHGYNHQNKOMQF-WOJBJXKFSA-N 0 0 480.657 4.922 20 0 JJADRN Cc1cc(C)c(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1Br ZINC001435263913 1064639901 /nfs/dbraw/zinc/63/99/01/1064639901.db2.gz FSJBJHPJNWGTDW-UHFFFAOYSA-N 0 0 451.670 4.942 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOc1ccc(Cl)cn1 ZINC001359918107 1064640101 /nfs/dbraw/zinc/64/01/01/1064640101.db2.gz ZPNMHWRDAWPOKE-UHFFFAOYSA-N 0 0 465.989 4.741 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001359918983 1064642637 /nfs/dbraw/zinc/64/26/37/1064642637.db2.gz UCLKADUBYKSSFW-BDTNDASRSA-N 0 0 477.694 4.936 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001359918985 1064643341 /nfs/dbraw/zinc/64/33/41/1064643341.db2.gz UCLKADUBYKSSFW-VSKRKVRLSA-N 0 0 477.694 4.936 20 0 JJADRN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1cnc(C2OCCO2)s1 ZINC001359919290 1064643431 /nfs/dbraw/zinc/64/34/31/1064643431.db2.gz BAHJNTAKZABTIS-UHFFFAOYSA-N 0 0 458.849 4.514 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N1CCSC[C@@H]1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435265878 1064643373 /nfs/dbraw/zinc/64/33/73/1064643373.db2.gz NYHCQSCFSVEHDT-HNNXBMFYSA-N 0 0 456.995 4.807 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Oc2cccc(OCC(F)(F)F)c2)cc1 ZINC001359919957 1064644143 /nfs/dbraw/zinc/64/41/43/1064644143.db2.gz FQCDSDAOMGSCRH-UHFFFAOYSA-N 0 0 459.486 4.658 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001435266654 1064644183 /nfs/dbraw/zinc/64/41/83/1064644183.db2.gz RTPRNCMGYHAVAG-UHFFFAOYSA-N 0 0 455.396 4.747 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001435267123 1064644857 /nfs/dbraw/zinc/64/48/57/1064644857.db2.gz SSTAAXYUGMTVQJ-HFZDXXHNSA-N 0 0 454.636 4.712 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OCC1CCOCC1 ZINC001435267571 1064645810 /nfs/dbraw/zinc/64/58/10/1064645810.db2.gz UQYDXXPBMNNDJU-VXKWHMMOSA-N 0 0 458.599 4.917 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001435267332 1064646043 /nfs/dbraw/zinc/64/60/43/1064646043.db2.gz WOHZWNFUCPQFQJ-YDHSSHFGSA-N 0 0 452.599 4.944 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccnc(Oc3ccccc3Br)c1)C2 ZINC001435268408 1064646841 /nfs/dbraw/zinc/64/68/41/1064646841.db2.gz QWXZIXJDHZOUSC-HNNXBMFYSA-N 0 0 455.308 4.835 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 ZINC001359921464 1064647896 /nfs/dbraw/zinc/64/78/96/1064647896.db2.gz JEFVNMKYSQUJAN-QFIPXVFZSA-N 0 0 498.672 4.539 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cs1 ZINC001435269343 1064648574 /nfs/dbraw/zinc/64/85/74/1064648574.db2.gz FZNXANXPVBXFEN-UHFFFAOYSA-N 0 0 456.427 4.546 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359921632 1064648589 /nfs/dbraw/zinc/64/85/89/1064648589.db2.gz PEJCWHUOJSXFDS-FNAHDJPLSA-N 0 0 477.694 4.982 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccnn1Cc1ccccc1F ZINC001359921916 1064649276 /nfs/dbraw/zinc/64/92/76/1064649276.db2.gz DQPFBSJBXLUBOP-GFCCVEGCSA-N 0 0 452.711 4.892 20 0 JJADRN O=C(Nc1ccnn1Cc1ccccc1F)c1ccc(Cl)c(I)c1 ZINC001359922468 1064650279 /nfs/dbraw/zinc/65/02/79/1064650279.db2.gz XAPILBSOMQBFKI-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN Cc1nc([C@H]2CCCCN2C(=O)Cc2csc(-c3cc(Br)cs3)n2)no1 ZINC001435273087 1064651441 /nfs/dbraw/zinc/65/14/41/1064651441.db2.gz ARPDOTQCLWYMBG-CYBMUJFWSA-N 0 0 453.387 4.622 20 0 JJADRN CC(C)CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC001359923497 1064652173 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CO[C@H](CNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)(C)C ZINC001435282370 1064659647 /nfs/dbraw/zinc/65/96/47/1064659647.db2.gz FHBVBMMPLUBZCA-RHSMWYFYSA-N 0 0 459.637 4.863 20 0 JJADRN Cc1ccc(OC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(I)c1 ZINC001435282710 1064660701 /nfs/dbraw/zinc/66/07/01/1064660701.db2.gz OEYVZFFBFMHLTJ-NSHDSACASA-N 0 0 450.194 4.991 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(C3CCOCC3)nn2C)c2ccccc2Cl)c(C)c1 ZINC001435284278 1064662044 /nfs/dbraw/zinc/66/20/44/1064662044.db2.gz REJFHFOBQATIAO-DEOSSOPVSA-N 0 0 453.970 4.804 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCC[C@H]32)n1Cc1ccc(F)cc1C(F)(F)F ZINC001545890000 1064662577 /nfs/dbraw/zinc/66/25/77/1064662577.db2.gz NRLFUNUUQWNHFU-AUUYWEPGSA-N 0 0 467.511 4.782 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)on2)c1 ZINC001359927643 1064664031 /nfs/dbraw/zinc/66/40/31/1064664031.db2.gz GHXLDKHBGKTGOT-UHFFFAOYSA-N 0 0 459.289 4.680 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cc1csc(COc2ccc(C)cc2)n1 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KRSKIAASJIWJIK-BLLLJJGKSA-N 0 0 455.702 4.708 20 0 JJADRN CO[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C ZINC001435294699 1064670235 /nfs/dbraw/zinc/67/02/35/1064670235.db2.gz CEOGNSKGVSTCNE-KRWDZBQOSA-N 0 0 459.443 4.787 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001359932631 1064670647 /nfs/dbraw/zinc/67/06/47/1064670647.db2.gz ACCKQZUXMNLCHR-FQEVSTJZSA-N 0 0 471.621 4.832 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c2c1CCC2 ZINC001435295132 1064671266 /nfs/dbraw/zinc/67/12/66/1064671266.db2.gz XCPIAWDNSXNARJ-MRXNPFEDSA-N 0 0 454.368 4.629 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c12 ZINC001435297299 1064672960 /nfs/dbraw/zinc/67/29/60/1064672960.db2.gz KINCCSUCURQYDY-KRWDZBQOSA-N 0 0 457.619 4.700 20 0 JJADRN CC(C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001359933138 1064672941 /nfs/dbraw/zinc/67/29/41/1064672941.db2.gz NMLGWGXQFNTESS-LJQANCHMSA-N 0 0 461.383 4.968 20 0 JJADRN CC(C)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ncc(Cl)n1C ZINC001359933058 1064673052 /nfs/dbraw/zinc/67/30/52/1064673052.db2.gz NBRFJTORHDIFRI-UHFFFAOYSA-N 0 0 469.790 4.916 20 0 JJADRN CC(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001359933031 1064673059 /nfs/dbraw/zinc/67/30/59/1064673059.db2.gz MOXJBOHEBQOOHS-UHFFFAOYSA-N 0 0 474.447 4.593 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001435297085 1064672977 /nfs/dbraw/zinc/67/29/77/1064672977.db2.gz KNCXDQNYMUOAEE-VFNWGFHPSA-N 0 0 457.361 4.661 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(-n2cccn2)c1 ZINC001435298010 1064673625 /nfs/dbraw/zinc/67/36/25/1064673625.db2.gz RRCPPOMQFKDDTI-MRXNPFEDSA-N 0 0 452.967 4.981 20 0 JJADRN CC(C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359933314 1064673636 /nfs/dbraw/zinc/67/36/36/1064673636.db2.gz HEXCJQOMFIKYMF-UHFFFAOYSA-N 0 0 494.453 4.976 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 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LDXXFZUJIBXSDS-GOSISDBHSA-N 0 0 453.174 4.988 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001359934353 1064677974 /nfs/dbraw/zinc/67/79/74/1064677974.db2.gz FGNLPXORPOGDGK-AUSIDOKSSA-N 0 0 456.608 4.626 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(F)cc1F ZINC001359934825 1064678583 /nfs/dbraw/zinc/67/85/83/1064678583.db2.gz XGVQEKMOINPHOA-QHCPKHFHSA-N 0 0 452.457 4.528 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935729 1064679389 /nfs/dbraw/zinc/67/93/89/1064679389.db2.gz MEIKWNBOJYBJHB-JWNTYJGQSA-N 0 0 455.624 4.522 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935575 1064679501 /nfs/dbraw/zinc/67/95/01/1064679501.db2.gz KAKMHKPNTVXDJQ-OAQYLSRUSA-N 0 0 458.400 4.895 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)ccc2C)c1 ZINC001435307012 1064681011 /nfs/dbraw/zinc/68/10/11/1064681011.db2.gz PLKRDAIRRGKDFC-OAQYLSRUSA-N 0 0 459.546 4.747 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)/C(C)=C\c1ccc(Br)o1 ZINC001435307027 1064681043 /nfs/dbraw/zinc/68/10/43/1064681043.db2.gz MBWCUSMXHQOGLM-HJWRWDBZSA-N 0 0 457.118 4.942 20 0 JJADRN CC(C)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359938191 1064681395 /nfs/dbraw/zinc/68/13/95/1064681395.db2.gz GXEKOCFSZKWJBO-MRXNPFEDSA-N 0 0 452.502 4.532 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC001435307781 1064681645 /nfs/dbraw/zinc/68/16/45/1064681645.db2.gz SRVDIRCCWVMCGD-UHFFFAOYSA-N 0 0 458.284 4.682 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939156 1064682523 /nfs/dbraw/zinc/68/25/23/1064682523.db2.gz UOHDIAMGAFMZQL-HRFSGMKKSA-N 0 0 458.606 4.937 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939154 1064682652 /nfs/dbraw/zinc/68/26/52/1064682652.db2.gz UOHDIAMGAFMZQL-DCFHFQCYSA-N 0 0 458.606 4.937 20 0 JJADRN Cc1cccc(C2(CNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CCCC2)c1 ZINC001359940267 1064684055 /nfs/dbraw/zinc/68/40/55/1064684055.db2.gz CKVZLWGXUBPJEB-UHFFFAOYSA-N 0 0 454.636 4.720 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1 ZINC001359940554 1064685112 /nfs/dbraw/zinc/68/51/12/1064685112.db2.gz IFPYGLVMUPTGPD-RTBURBONSA-N 0 0 453.560 4.775 20 0 JJADRN CC(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359941625 1064685750 /nfs/dbraw/zinc/68/57/50/1064685750.db2.gz VIYNCUNBAMITJV-OAQYLSRUSA-N 0 0 485.629 4.720 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1Br ZINC001435312380 1064685776 /nfs/dbraw/zinc/68/57/76/1064685776.db2.gz DUEBBYOBUQUZJE-UHFFFAOYSA-N 0 0 459.153 4.821 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCc2sccc2C1 ZINC001359941412 1064685831 /nfs/dbraw/zinc/68/58/31/1064685831.db2.gz TWLPESNSKKSMKW-IBGZPJMESA-N 0 0 475.659 4.647 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 ZINC001435314252 1064686909 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454.611 4.965 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001435316148 1064688607 /nfs/dbraw/zinc/68/86/07/1064688607.db2.gz CXFPIPPPFRGSIF-NKKJXINNSA-N 0 0 454.611 4.965 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](C)Oc3cccc(F)c3)[C@H]2c2cccs2)cc1 ZINC001435316616 1064689148 /nfs/dbraw/zinc/68/91/48/1064689148.db2.gz RRHFQPXUORSSIP-GQOCTPOGSA-N 0 0 452.551 4.874 20 0 JJADRN COC(=O)CC[C@H](NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)c1ccccc1 ZINC001359944163 1064689874 /nfs/dbraw/zinc/68/98/74/1064689874.db2.gz NZVHQOYPBVFCQB-SFHVURJKSA-N 0 0 455.917 4.578 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001359944210 1064689919 /nfs/dbraw/zinc/68/99/19/1064689919.db2.gz PIXOBSOZEONNJY-UHFFFAOYSA-N 0 0 462.372 4.597 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001359944193 1064690021 /nfs/dbraw/zinc/69/00/21/1064690021.db2.gz OYDYJGLLZNVWLB-WOJBJXKFSA-N 0 0 469.413 4.594 20 0 JJADRN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001359944403 1064690729 /nfs/dbraw/zinc/69/07/29/1064690729.db2.gz SBTHZAKVNSTLOH-IBVKSMDESA-N 0 0 456.631 4.585 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC001435318134 1064690994 /nfs/dbraw/zinc/69/09/94/1064690994.db2.gz ORLWIGSBZXWURG-RPWUZVMVSA-N 0 0 455.551 4.637 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001359944578 1064691736 /nfs/dbraw/zinc/69/17/36/1064691736.db2.gz WOVQXFMNMRDCFC-MRXNPFEDSA-N 0 0 480.440 4.705 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001359944576 1064691746 /nfs/dbraw/zinc/69/17/46/1064691746.db2.gz WOVQXFMNMRDCFC-INIZCTEOSA-N 0 0 480.440 4.705 20 0 JJADRN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC001435318645 1064691974 /nfs/dbraw/zinc/69/19/74/1064691974.db2.gz HUUUDIITYSITHL-AWEZNQCLSA-N 0 0 458.477 4.510 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001435318377 1064692015 /nfs/dbraw/zinc/69/20/15/1064692015.db2.gz UHJBQHXGOXNJEP-HNNXBMFYSA-N 0 0 454.502 4.533 20 0 JJADRN Cc1cccc(F)c1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001359945340 1064692450 /nfs/dbraw/zinc/69/24/50/1064692450.db2.gz LYDHADVNKDBELH-IBGZPJMESA-N 0 0 456.514 4.943 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)CC2=O)CC1 ZINC001359945277 1064692506 /nfs/dbraw/zinc/69/25/06/1064692506.db2.gz JTRXVEACBVAJIY-APKLWFBNSA-N 0 0 451.611 4.940 20 0 JJADRN CC(C)(C)n1ccc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC001359946738 1064693998 /nfs/dbraw/zinc/69/39/98/1064693998.db2.gz OOSLZFTWHWYMLF-QHCPKHFHSA-N 0 0 451.615 4.967 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1nn2c(c1Br)CCC2 ZINC001359946142 1064694185 /nfs/dbraw/zinc/69/41/85/1064694185.db2.gz ZIJSTXNAWXKNGY-UHFFFAOYSA-N 0 0 457.372 4.732 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cncc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320461 1064694453 /nfs/dbraw/zinc/69/44/53/1064694453.db2.gz QIPGJEUBMVISEH-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC001359946836 1064694851 /nfs/dbraw/zinc/69/48/51/1064694851.db2.gz QSEVEZMXHXFBJD-NRFANRHFSA-N 0 0 458.400 4.641 20 0 JJADRN Cc1ccn(C[C@@H](C)C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC001359946769 1064694923 /nfs/dbraw/zinc/69/49/23/1064694923.db2.gz OWQWSDZARUYYRM-HYBUGGRVSA-N 0 0 451.615 4.543 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccnc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320549 1064695075 /nfs/dbraw/zinc/69/50/75/1064695075.db2.gz VXRGTGXVKLYNDS-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(Br)ccc1OC(F)F ZINC001435321178 1064695165 /nfs/dbraw/zinc/69/51/65/1064695165.db2.gz AXAACCBVTVCMOF-UHFFFAOYSA-N 0 0 450.283 4.568 20 0 JJADRN CC(C)CCn1c(N2CCC(OCc3ccccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359947443 1064696519 /nfs/dbraw/zinc/69/65/19/1064696519.db2.gz LTQMIMLJQKDZID-SANMLTNESA-N 0 0 474.621 4.690 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2c(C)nn(C(C)C)c2C)cc1OC ZINC001435325107 1064697277 /nfs/dbraw/zinc/69/72/77/1064697277.db2.gz ONXCMYYWTCTEBT-UHFFFAOYSA-N 0 0 455.624 4.974 20 0 JJADRN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001359947739 1064697797 /nfs/dbraw/zinc/69/77/97/1064697797.db2.gz ODAUSLFQGKPBIH-DHIUTWEWSA-N 0 0 473.706 4.908 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1(CC)CC ZINC001435325873 1064698766 /nfs/dbraw/zinc/69/87/66/1064698766.db2.gz AAHVPMDPVUEFIH-FFZOFVMBSA-N 0 0 455.426 4.946 20 0 JJADRN CC[C@H](CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)Oc1ccccc1C ZINC001435326988 1064699442 /nfs/dbraw/zinc/69/94/42/1064699442.db2.gz XWQMPDIZACXCJZ-JFLDFIPSSA-N 0 0 459.575 4.682 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC001359948529 1064700232 /nfs/dbraw/zinc/70/02/32/1064700232.db2.gz OCGAXFBITKFZOZ-UHFFFAOYSA-N 0 0 453.901 4.813 20 0 JJADRN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001359948628 1064700581 /nfs/dbraw/zinc/70/05/81/1064700581.db2.gz WXEBUZNULAMGOM-DHIUTWEWSA-N 0 0 485.648 4.781 20 0 JJADRN CC(=O)c1cccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001435329736 1064700848 /nfs/dbraw/zinc/70/08/48/1064700848.db2.gz HKAZMBSJUIRPEW-RUZDIDTESA-N 0 0 451.906 4.598 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Oc1ccccc1OC(F)F ZINC001359948927 1064700968 /nfs/dbraw/zinc/70/09/68/1064700968.db2.gz SGVOWECKLNKBOC-UHFFFAOYSA-N 0 0 454.594 4.774 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330143 1064701250 /nfs/dbraw/zinc/70/12/50/1064701250.db2.gz LAAXZPLKPOCAKA-VWLOTQADSA-N 0 0 451.588 4.672 20 0 JJADRN CCN(CC)C(=O)CCCNC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC001359949507 1064702239 /nfs/dbraw/zinc/70/22/39/1064702239.db2.gz HMBDDRUPASYHBK-UHFFFAOYSA-N 0 0 452.986 4.880 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330730 1064702302 /nfs/dbraw/zinc/70/23/02/1064702302.db2.gz SGZVEHYAQZIZLY-OAQYLSRUSA-N 0 0 452.557 4.634 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc2)c1 ZINC001435330539 1064702418 /nfs/dbraw/zinc/70/24/18/1064702418.db2.gz PROOTYBGVLFSPV-HXUWFJFHSA-N 0 0 451.441 4.767 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(F)c(I)c1 ZINC001435331557 1064702656 /nfs/dbraw/zinc/70/26/56/1064702656.db2.gz FMVOBSCNURBYCT-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001359949961 1064702806 /nfs/dbraw/zinc/70/28/06/1064702806.db2.gz APNFPHCKUFPXQC-BGYRXZFFSA-N 0 0 485.698 4.746 20 0 JJADRN CCc1ccc([C@H](NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331563 1064703040 /nfs/dbraw/zinc/70/30/40/1064703040.db2.gz YWNKIGNHUKZRIJ-PSUQPPDWSA-N 0 0 457.636 4.699 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435331746 1064703746 /nfs/dbraw/zinc/70/37/46/1064703746.db2.gz GYUBBKJVDKSXRY-AGILITTLSA-N 0 0 456.627 4.723 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccsc3)n2C[C@@]2(C)COCCO2)cc1 ZINC001359950121 1064703851 /nfs/dbraw/zinc/70/38/51/1064703851.db2.gz FDKBLRZDVWCIED-VWLOTQADSA-N 0 0 470.639 4.873 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H]2CCCCO2)cc1 ZINC001359950292 1064704126 /nfs/dbraw/zinc/70/41/26/1064704126.db2.gz GXQVOEJLVPCXGE-NRFANRHFSA-N 0 0 487.048 4.962 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2(O)CC2)cc1 ZINC001359950299 1064704154 /nfs/dbraw/zinc/70/41/54/1064704154.db2.gz HIVAJPTVJTYKGW-UHFFFAOYSA-N 0 0 452.521 4.674 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(C)CC2)cc1 ZINC001359950276 1064704168 /nfs/dbraw/zinc/70/41/68/1064704168.db2.gz GJDOGQQKLNFDCR-IBGZPJMESA-N 0 0 493.574 4.675 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001359950247 1064704342 /nfs/dbraw/zinc/70/43/42/1064704342.db2.gz FQYKQDDWDCRXPO-LVXARBLLSA-N 0 0 456.631 4.536 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435332311 1064704355 /nfs/dbraw/zinc/70/43/55/1064704355.db2.gz JVDZKYGWVBYQID-RUZDIDTESA-N 0 0 455.551 4.602 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)cc1 ZINC001359950469 1064704659 /nfs/dbraw/zinc/70/46/59/1064704659.db2.gz JBAYDMBGRMBKHU-NRFANRHFSA-N 0 0 474.671 4.574 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)cc1 ZINC001359950435 1064704875 /nfs/dbraw/zinc/70/48/75/1064704875.db2.gz HZWFTDZRXKJFRK-UHFFFAOYSA-N 0 0 459.974 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001359950513 1064705263 /nfs/dbraw/zinc/70/52/63/1064705263.db2.gz JXLOSBKAWPIHMY-WPFOTENUSA-N 0 0 470.658 4.905 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 ZINC001359950503 1064705541 /nfs/dbraw/zinc/70/55/41/1064705541.db2.gz JVQPHEHYSBWCJQ-IMSXRSKXSA-N 0 0 488.698 4.820 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435334012 1064705819 /nfs/dbraw/zinc/70/58/19/1064705819.db2.gz QCKAUJNZRSAZJD-GAJHUEQPSA-N 0 0 457.979 4.725 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1)OCC(F)(F)F ZINC001435334004 1064705829 /nfs/dbraw/zinc/70/58/29/1064705829.db2.gz QAQANAFRQPOYNX-UHFFFAOYSA-N 0 0 452.820 4.948 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001359950552 1064705899 /nfs/dbraw/zinc/70/58/99/1064705899.db2.gz IOAFBPPNMWOCNB-UHFFFAOYSA-N 0 0 451.489 4.744 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359950635 1064705973 /nfs/dbraw/zinc/70/59/73/1064705973.db2.gz LTIBHRAUPCTWAA-LJQANCHMSA-N 0 0 495.590 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC=CCC3)n2CCN(C)CC(F)(F)F)cc1 ZINC001359950594 1064706102 /nfs/dbraw/zinc/70/61/02/1064706102.db2.gz KSNKCMQSJGOPMX-UHFFFAOYSA-N 0 0 451.537 4.630 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)[C@H]2CCCO[C@H]21 ZINC001435334232 1064706348 /nfs/dbraw/zinc/70/63/48/1064706348.db2.gz VFMNLGHMDQQYOK-DAXOMENPSA-N 0 0 455.395 4.502 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001435334877 1064706419 /nfs/dbraw/zinc/70/64/19/1064706419.db2.gz UGRUCYPDDOOLTI-UHFFFAOYSA-N 0 0 453.967 4.816 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3c(Cl)cccc3Br)ccc2NC1=O ZINC001435335792 1064706847 /nfs/dbraw/zinc/70/68/47/1064706847.db2.gz YQDPVEKKJNNMGQ-PIGZYNQJSA-N 0 0 451.748 4.632 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)ccc1F ZINC001435335864 1064707442 /nfs/dbraw/zinc/70/74/42/1064707442.db2.gz VSOWYUVOJQCZGY-XMMPIXPASA-N 0 0 453.535 4.650 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CC[C@H](C)C[C@@H]3c3ccc(C)o3)n2)CCCCCC1 ZINC001435338286 1064707636 /nfs/dbraw/zinc/70/76/36/1064707636.db2.gz BUQCMUKUTHXPLI-FXAWDEMLSA-N 0 0 456.587 4.589 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)CCCNC(=O)c1ccccc1)C(F)(F)F ZINC001435336968 1064707986 /nfs/dbraw/zinc/70/79/86/1064707986.db2.gz YBEMUGGOCATQAH-QFIPXVFZSA-N 0 0 459.468 4.846 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001359951162 1064708163 /nfs/dbraw/zinc/70/81/63/1064708163.db2.gz SURJEQBFIZMNOX-OFVILXPXSA-N 0 0 458.672 4.720 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C12CCCCC2 ZINC001435338671 1064708700 /nfs/dbraw/zinc/70/87/00/1064708700.db2.gz FNBFEJQRCYOGQM-RTBURBONSA-N 0 0 453.048 4.840 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(Cl)s2)cc1 ZINC001359951198 1064708761 /nfs/dbraw/zinc/70/87/61/1064708761.db2.gz TYTBIXLIWNWQIG-QGZVFWFLSA-N 0 0 488.057 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C2CC(C(C)(C)C)C2)cc1 ZINC001359951343 1064709201 /nfs/dbraw/zinc/70/92/01/1064709201.db2.gz WBSQJGBPEGVKEY-QNGMFEMESA-N 0 0 453.631 4.679 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C2CC(C(C)(C)C)C2)cc1 ZINC001359951342 1064709265 /nfs/dbraw/zinc/70/92/65/1064709265.db2.gz WBSQJGBPEGVKEY-MWXLCCTBSA-N 0 0 453.631 4.679 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)Cc2cccs2)cc1 ZINC001359951235 1064709390 /nfs/dbraw/zinc/70/93/90/1064709390.db2.gz UQHPPFJIBRJVBR-LEWJYISDSA-N 0 0 495.693 4.977 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435340147 1064710098 /nfs/dbraw/zinc/71/00/98/1064710098.db2.gz HJDXYYSMXYKFDX-KSSFIOAISA-N 0 0 453.004 4.932 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(-c4cscn4)cc3)c2)C1 ZINC001435340375 1064710130 /nfs/dbraw/zinc/71/01/30/1064710130.db2.gz UVEZORATTPLFLB-CALCHBBNSA-N 0 0 456.589 4.696 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001359951569 1064710088 /nfs/dbraw/zinc/71/00/88/1064710088.db2.gz ZDRCERYHPDNIHU-NMWVFERUSA-N 0 0 490.714 4.921 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435340148 1064710166 /nfs/dbraw/zinc/71/01/66/1064710166.db2.gz HJDXYYSMXYKFDX-RDTXWAMCSA-N 0 0 453.004 4.932 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001359951568 1064710371 /nfs/dbraw/zinc/71/03/71/1064710371.db2.gz ZDRCERYHPDNIHU-JJVXONKQSA-N 0 0 490.714 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2nccs2)cc1 ZINC001359951767 1064711379 /nfs/dbraw/zinc/71/13/79/1064711379.db2.gz FNGPIZHDZWTBBC-UHFFFAOYSA-N 0 0 495.571 4.768 20 0 JJADRN O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435342498 1064711615 /nfs/dbraw/zinc/71/16/15/1064711615.db2.gz XODASWIROVQAAZ-QGZVFWFLSA-N 0 0 455.274 4.797 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2(C)CC2)cc1 ZINC001359951883 1064711701 /nfs/dbraw/zinc/71/17/01/1064711701.db2.gz ITRYKKZXNMUROG-QFIPXVFZSA-N 0 0 474.671 4.574 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC(C1CC1)C1CC1)Nc1ccc(Br)cc1 ZINC001435342853 1064711796 /nfs/dbraw/zinc/71/17/96/1064711796.db2.gz OBUZCGSAXBYUMA-UHFFFAOYSA-N 0 0 457.368 4.633 20 0 JJADRN C[C@H]1CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2N(C)C1=O ZINC001435343214 1064712162 /nfs/dbraw/zinc/71/21/62/1064712162.db2.gz BVGFTJYRUVOAMU-ICSRJNTNSA-N 0 0 451.567 4.678 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001359951950 1064712136 /nfs/dbraw/zinc/71/21/36/1064712136.db2.gz KCKUAGHQLLYJMV-QHWMMSMNSA-N 0 0 470.658 4.640 20 0 JJADRN C[C@H](CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1)Oc1cccc(Br)c1 ZINC001435343909 1064712764 /nfs/dbraw/zinc/71/27/64/1064712764.db2.gz CGGGXTXKQXMDPP-MRXNPFEDSA-N 0 0 453.336 4.899 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001435345249 1064713300 /nfs/dbraw/zinc/71/33/00/1064713300.db2.gz JWJKJZUQMGADRT-KSSFIOAISA-N 0 0 450.988 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC=C(Br)C3)n2Cc2ccn(C)n2)cc1 ZINC001359952210 1064714121 /nfs/dbraw/zinc/71/41/21/1064714121.db2.gz PQQUIJTWWKMKIK-UHFFFAOYSA-N 0 0 485.430 4.641 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCc4sccc4C3)n2CC(=O)NC(C)C)cc1 ZINC001359952323 1064714584 /nfs/dbraw/zinc/71/45/84/1064714584.db2.gz SVZFINPWAUSBDU-UHFFFAOYSA-N 0 0 467.639 4.519 20 0 JJADRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001435348024 1064714897 /nfs/dbraw/zinc/71/48/97/1064714897.db2.gz CEUBGSRHRPYAIZ-AWEZNQCLSA-N 0 0 452.382 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C4CC4)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359952408 1064715131 /nfs/dbraw/zinc/71/51/31/1064715131.db2.gz VIYAWGWCDJWBLH-JOCHJYFZSA-N 0 0 488.698 4.820 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@](C)(O)c2ccsc2)cc1 ZINC001359952391 1064715270 /nfs/dbraw/zinc/71/52/70/1064715270.db2.gz UVQHGGJTTICADL-AREMUKBSSA-N 0 0 484.666 4.548 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001435349128 1064715492 /nfs/dbraw/zinc/71/54/92/1064715492.db2.gz KAANFWZZQNNIOV-GFCCVEGCSA-N 0 0 458.396 4.910 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cccnc1N1CCOCC1 ZINC001435348934 1064715725 /nfs/dbraw/zinc/71/57/25/1064715725.db2.gz VRDOWRXNODNTKS-UHFFFAOYSA-N 0 0 457.452 4.659 20 0 JJADRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC001435350705 1064716542 /nfs/dbraw/zinc/71/65/42/1064716542.db2.gz DHZVMKPABPBHNB-UHFFFAOYSA-N 0 0 453.546 4.600 20 0 JJADRN CN(C)CC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC001435350624 1064716743 /nfs/dbraw/zinc/71/67/43/1064716743.db2.gz BMQMKPKVFODWJR-UHFFFAOYSA-N 0 0 451.954 4.600 20 0 JJADRN CSc1cccc([C@@H](NC(=O)CN2CCc3ccccc3C2=O)c2ccc(F)c(F)c2)c1 ZINC001435351421 1064717123 /nfs/dbraw/zinc/71/71/23/1064717123.db2.gz LSJAYUIHTQVVRA-XMMPIXPASA-N 0 0 452.526 4.591 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1csc(Cc2ccccc2F)n1 ZINC001359953883 1064717301 /nfs/dbraw/zinc/71/73/01/1064717301.db2.gz YUHMNNPLQCCMKS-QFIPXVFZSA-N 0 0 459.546 4.853 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCn2ccnn2)cc1 ZINC001359953989 1064717854 /nfs/dbraw/zinc/71/78/54/1064717854.db2.gz ABRQZKNHXCUKON-MHZLTWQESA-N 0 0 495.672 4.693 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[C@H](O)C2)cc1 ZINC001359954143 1064718486 /nfs/dbraw/zinc/71/84/86/1064718486.db2.gz DHEGVAQQWLOKNK-KGSLCBSSSA-N 0 0 456.631 4.535 20 0 JJADRN CS[C@@H]1CC[C@H](NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001435353542 1064719080 /nfs/dbraw/zinc/71/90/80/1064719080.db2.gz WIDOLEINKYRVCU-PKOBYXMFSA-N 0 0 452.498 4.737 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC001545890421 1064719340 /nfs/dbraw/zinc/71/93/40/1064719340.db2.gz AKBHKBWCJPULJD-JOCHJYFZSA-N 0 0 458.002 4.857 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c(-c2ccc(Cl)s2)n1 ZINC001435355294 1064719875 /nfs/dbraw/zinc/71/98/75/1064719875.db2.gz PAVRLQFTEHSWIV-UHFFFAOYSA-N 0 0 452.923 4.946 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)CC2=O)cc1 ZINC001435355365 1064719963 /nfs/dbraw/zinc/71/99/63/1064719963.db2.gz RLZJWOFBHLRZDA-LJQANCHMSA-N 0 0 457.530 4.522 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2=CCCCC2)CC1 ZINC001359954530 1064720123 /nfs/dbraw/zinc/72/01/23/1064720123.db2.gz KHKBPNGKYRFGHL-SANMLTNESA-N 0 0 460.663 4.851 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@@](C)=O)CC2)CC1 ZINC001359954534 1064720568 /nfs/dbraw/zinc/72/05/68/1064720568.db2.gz KMKHWQMDMAVJGF-JGCGQSQUSA-N 0 0 483.053 4.680 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1nc(C(C)(C)C)no1 ZINC001435356810 1064720916 /nfs/dbraw/zinc/72/09/16/1064720916.db2.gz GBIUBKAEACHOJH-CRAIPNDOSA-N 0 0 456.587 4.803 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc4c(cncc4Br)s3)n2)c1 ZINC001435357114 1064720939 /nfs/dbraw/zinc/72/09/39/1064720939.db2.gz NOKSKDCNAHMOTI-SNVBAGLBSA-N 0 0 459.325 4.608 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1nc(C(C)(C)C)no1 ZINC001435356812 1064721145 /nfs/dbraw/zinc/72/11/45/1064721145.db2.gz GBIUBKAEACHOJH-MAUKXSAKSA-N 0 0 456.587 4.803 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001359954721 1064721009 /nfs/dbraw/zinc/72/10/09/1064721009.db2.gz LDCFVCOOHFFIGV-FHAGJXEFSA-N 0 0 458.672 4.863 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)C3(c4ccc(Br)cc4)CCC3)n2)c1 ZINC001435357712 1064722140 /nfs/dbraw/zinc/72/21/40/1064722140.db2.gz VFPZZDVWYZMVDS-AWEZNQCLSA-N 0 0 456.340 4.807 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC001435357803 1064722295 /nfs/dbraw/zinc/72/22/95/1064722295.db2.gz ZECGPCWIMGMSFR-UHFFFAOYSA-N 0 0 450.922 4.974 20 0 JJADRN C[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2cccc(F)c2)no1 ZINC001435358185 1064722557 /nfs/dbraw/zinc/72/25/57/1064722557.db2.gz RIDWLUGFNVKVIB-LBPRGKRZSA-N 0 0 455.902 4.961 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H](C)c3nc(-c4cccc(F)c4)no3)cs2)cc1OC ZINC001435358203 1064722691 /nfs/dbraw/zinc/72/26/91/1064722691.db2.gz RXBFISSVKKBUIS-GFCCVEGCSA-N 0 0 454.483 4.507 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359955137 1064723401 /nfs/dbraw/zinc/72/34/01/1064723401.db2.gz QXTJJHSPMRVINJ-UIFIKXQLSA-N 0 0 482.547 4.563 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359955136 1064723431 /nfs/dbraw/zinc/72/34/31/1064723431.db2.gz QXTJJHSPMRVINJ-DUXKGJEZSA-N 0 0 482.547 4.563 20 0 JJADRN C[C@@H](OC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2n1C ZINC001435359648 1064723686 /nfs/dbraw/zinc/72/36/86/1064723686.db2.gz BCLBFMZYCBXVPG-VOIUYBSRSA-N 0 0 455.942 4.880 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@H]2CCOC2)cc1 ZINC001359955250 1064723837 /nfs/dbraw/zinc/72/38/37/1064723837.db2.gz SHCZENYOUPNJCI-RXVVDRJESA-N 0 0 482.547 4.564 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@@H]2CCOC2)cc1 ZINC001359955248 1064723973 /nfs/dbraw/zinc/72/39/73/1064723973.db2.gz SHCZENYOUPNJCI-NQIIRXRSSA-N 0 0 482.547 4.564 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001435362114 1064724273 /nfs/dbraw/zinc/72/42/73/1064724273.db2.gz QHUIVCKTPYMXJR-RTBURBONSA-N 0 0 456.823 4.854 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@@H]2CSCCS2)cc1 ZINC001359955315 1064724691 /nfs/dbraw/zinc/72/46/91/1064724691.db2.gz ZLPWTFGMWGTXRB-HXUWFJFHSA-N 0 0 458.657 4.696 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001435362374 1064724596 /nfs/dbraw/zinc/72/45/96/1064724596.db2.gz JNRABWZDSDJICU-OAHLLOKOSA-N 0 0 452.376 4.678 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001435362330 1064724625 /nfs/dbraw/zinc/72/46/25/1064724625.db2.gz OLZJIIREUAHHOW-UHFFFAOYSA-N 0 0 455.404 4.870 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956977 1064725148 /nfs/dbraw/zinc/72/51/48/1064725148.db2.gz FMWUWWKRICQLIO-SFHVURJKSA-N 0 0 450.892 4.791 20 0 JJADRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001435364316 1064725204 /nfs/dbraw/zinc/72/52/04/1064725204.db2.gz XENZNEJOIZMUCN-DEQJRXDXSA-N 0 0 453.535 4.981 20 0 JJADRN O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001359956510 1064725332 /nfs/dbraw/zinc/72/53/32/1064725332.db2.gz SRIOHBVSVSYWTK-IBGZPJMESA-N 0 0 451.533 4.904 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001359957542 1064725610 /nfs/dbraw/zinc/72/56/10/1064725610.db2.gz AKDLTXNBFQKRBC-UHFFFAOYSA-N 0 0 466.630 4.629 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H](C)[C@H](C)c2ccccc2)C1 ZINC001435365758 1064726203 /nfs/dbraw/zinc/72/62/03/1064726203.db2.gz FVAFOCCMHIGEAV-BJLQDIEVSA-N 0 0 457.412 4.918 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001359957867 1064726332 /nfs/dbraw/zinc/72/63/32/1064726332.db2.gz FZNGWKQXHFBENZ-RUZDIDTESA-N 0 0 461.050 4.715 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1c(C)c(C)sc1Br ZINC001435367270 1064726641 /nfs/dbraw/zinc/72/66/41/1064726641.db2.gz VGPMLFYTJRQUHQ-UHFFFAOYSA-N 0 0 459.793 4.856 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C)c3ccc(Cl)cc32)cc1 ZINC001435367013 1064726762 /nfs/dbraw/zinc/72/67/62/1064726762.db2.gz BCTQJJXPHMICIJ-HDICACEKSA-N 0 0 455.986 4.605 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001435366854 1064726894 /nfs/dbraw/zinc/72/68/94/1064726894.db2.gz PMIFJBZSKPUEOQ-SFHVURJKSA-N 0 0 458.624 4.983 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001359958214 1064727217 /nfs/dbraw/zinc/72/72/17/1064727217.db2.gz PBKXLBKTRZQFAQ-UHFFFAOYSA-N 0 0 480.632 4.549 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(F)c2)CC1 ZINC001359958136 1064727481 /nfs/dbraw/zinc/72/74/81/1064727481.db2.gz NCVQJXQVOQOKCL-UHFFFAOYSA-N 0 0 451.590 4.677 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001359958348 1064727749 /nfs/dbraw/zinc/72/77/49/1064727749.db2.gz SXUWIWXFOVGVPD-LEWJYISDSA-N 0 0 474.621 4.810 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)c2nccs2)CC1 ZINC001359958303 1064727824 /nfs/dbraw/zinc/72/78/24/1064727824.db2.gz RMGLFMLAEOGXBL-IBGZPJMESA-N 0 0 454.644 4.556 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001435371405 1064728397 /nfs/dbraw/zinc/72/83/97/1064728397.db2.gz XMSIMIUQNOBMRB-UHFFFAOYSA-N 0 0 453.344 4.678 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001359958592 1064728892 /nfs/dbraw/zinc/72/88/92/1064728892.db2.gz AKMRQEVKNDKRPU-VWLOTQADSA-N 0 0 461.050 4.823 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCN(c4ccc(C)c(C)c4)C[C@H]3C)cc2)c1 ZINC001435373247 1064728843 /nfs/dbraw/zinc/72/88/43/1064728843.db2.gz ZKIXHQZDOKJOSD-HSZRJFAPSA-N 0 0 455.602 4.893 20 0 JJADRN Cc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)n(Cc2ccccn2)n1 ZINC001435374869 1064729307 /nfs/dbraw/zinc/72/93/07/1064729307.db2.gz MAANCZOQZNCSRV-UHFFFAOYSA-N 0 0 451.324 4.568 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001359958830 1064729729 /nfs/dbraw/zinc/72/97/29/1064729729.db2.gz ITOVPAWAHYHTPC-UHFFFAOYSA-N 0 0 462.520 4.633 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1 ZINC001435376299 1064729803 /nfs/dbraw/zinc/72/98/03/1064729803.db2.gz GFYZSQIPDAZETP-UHFFFAOYSA-N 0 0 451.032 4.641 20 0 JJADRN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cc(OCC(F)F)ccn1 ZINC001435376463 1064730158 /nfs/dbraw/zinc/73/01/58/1064730158.db2.gz JFYYZQJYTVRPSA-KRWDZBQOSA-N 0 0 451.473 4.698 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cnc(Br)c(Cl)c1 ZINC001435377059 1064730293 /nfs/dbraw/zinc/73/02/93/1064730293.db2.gz SEKSUNVYLDGHPB-UHFFFAOYSA-N 0 0 456.731 4.737 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@@H]2C)CC1 ZINC001359958951 1064730347 /nfs/dbraw/zinc/73/03/47/1064730347.db2.gz MIJDCTFXHLKMFB-JBACZVJFSA-N 0 0 461.651 4.963 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC001435378356 1064730468 /nfs/dbraw/zinc/73/04/68/1064730468.db2.gz KOLYIAIQONXNQM-ZWKOTPCHSA-N 0 0 453.530 4.999 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](C)C2)CC1 ZINC001359959214 1064730558 /nfs/dbraw/zinc/73/05/58/1064730558.db2.gz VCXNEUZUKZKWOL-PMACEKPBSA-N 0 0 473.687 4.737 20 0 JJADRN CCCCCC[C@@](C)(CCC)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC001435379633 1064730729 /nfs/dbraw/zinc/73/07/29/1064730729.db2.gz QTIIAMUYPAAXPR-OAQYLSRUSA-N 0 0 455.441 4.673 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)c2)n1 ZINC001435381370 1064731139 /nfs/dbraw/zinc/73/11/39/1064731139.db2.gz IYZUFOYQOPHSDA-HSZRJFAPSA-N 0 0 455.965 4.901 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCOCC2)CC1 ZINC001359959266 1064731201 /nfs/dbraw/zinc/73/12/01/1064731201.db2.gz WJBKDHFOJTWQKM-DHIUTWEWSA-N 0 0 462.679 4.655 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@H](C(C)C)C1 ZINC001359959282 1064731341 /nfs/dbraw/zinc/73/13/41/1064731341.db2.gz WVVRUQMDVMOIKL-QFIPXVFZSA-N 0 0 460.644 4.704 20 0 JJADRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1c(F)cccc1I ZINC001435383373 1064732354 /nfs/dbraw/zinc/73/23/54/1064732354.db2.gz BTORWEALNLJJJL-UHFFFAOYSA-N 0 0 450.255 4.522 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCC3(Sc4ccccc4)CC3)CC2=O)ccc1Br ZINC001359960728 1064732770 /nfs/dbraw/zinc/73/27/70/1064732770.db2.gz YVLKEOMCMCKCKR-MRXNPFEDSA-N 0 0 459.409 4.552 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC001435385210 1064733206 /nfs/dbraw/zinc/73/32/06/1064733206.db2.gz JPDATMYMUXKDJN-FQEVSTJZSA-N 0 0 457.498 4.587 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001359961701 1064734273 /nfs/dbraw/zinc/73/42/73/1064734273.db2.gz CHPPYRBTVDECKN-NJDAHSKKSA-N 0 0 450.668 4.653 20 0 JJADRN CC(C)CCOCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1 ZINC001359961873 1064734734 /nfs/dbraw/zinc/73/47/34/1064734734.db2.gz HIYSIPGGBLNUGA-UHFFFAOYSA-N 0 0 453.410 4.699 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001359961916 1064734771 /nfs/dbraw/zinc/73/47/71/1064734771.db2.gz IERPKTFGZTWJFR-RXVVDRJESA-N 0 0 464.557 4.725 20 0 JJADRN CC(C)CCOCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001359961844 1064734941 /nfs/dbraw/zinc/73/49/41/1064734941.db2.gz GUUVBBQLZWRLMG-UHFFFAOYSA-N 0 0 458.622 4.858 20 0 JJADRN CC(C)CCOCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001359961789 1064734975 /nfs/dbraw/zinc/73/49/75/1064734975.db2.gz FJWPXORNOCTLOA-AVRDEDQJSA-N 0 0 493.574 4.959 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc(-c4ccccc4)nn3)cc2)c1 ZINC001435387959 1064735060 /nfs/dbraw/zinc/73/50/60/1064735060.db2.gz WCHDRLJVJVOIPD-UHFFFAOYSA-N 0 0 459.527 4.780 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 ZINC001359962115 1064735237 /nfs/dbraw/zinc/73/52/37/1064735237.db2.gz OESODUMGTUWYGB-QLSBTUPBSA-N 0 0 491.677 4.561 20 0 JJADRN CC(C)CCOCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359962188 1064735446 /nfs/dbraw/zinc/73/54/46/1064735446.db2.gz QKZXRCDHWCKTBI-HXUWFJFHSA-N 0 0 453.631 4.807 20 0 JJADRN CC(C)CCOCCCn1c(Cc2ccncc2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001359962138 1064735464 /nfs/dbraw/zinc/73/54/64/1064735464.db2.gz OTCPOCSOUPRMJL-UHFFFAOYSA-N 0 0 455.553 4.558 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359962162 1064735497 /nfs/dbraw/zinc/73/54/97/1064735497.db2.gz PNGSIXHJITXJKW-UWHLTILDSA-N 0 0 452.709 4.980 20 0 JJADRN CC(C)CCOCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001359962197 1064735512 /nfs/dbraw/zinc/73/55/12/1064735512.db2.gz QNMDWZWMIRZLFS-VWLOTQADSA-N 0 0 462.585 4.607 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1CCc1ccccc1 ZINC001435391239 1064736164 /nfs/dbraw/zinc/73/61/64/1064736164.db2.gz JDXCMQLVXYWZKH-UHFFFAOYSA-N 0 0 451.320 4.818 20 0 JJADRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435391941 1064736204 /nfs/dbraw/zinc/73/62/04/1064736204.db2.gz GZPHIFKRJHFNCU-KKSFZXQISA-N 0 0 459.377 4.639 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)ncc1Br ZINC001435393064 1064736760 /nfs/dbraw/zinc/73/67/60/1064736760.db2.gz QWGOVPINNYXTAN-DIFFPNOSSA-N 0 0 457.155 4.617 20 0 JJADRN CCO[C@H]1COCC[C@@H]1CC(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 ZINC001435394272 1064737028 /nfs/dbraw/zinc/73/70/28/1064737028.db2.gz WFXTWHFLNIAYMV-QRWLVFNGSA-N 0 0 458.356 4.763 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001359964088 1064737529 /nfs/dbraw/zinc/73/75/29/1064737529.db2.gz 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COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(I)c(C)cc1C ZINC001435397718 1064739248 /nfs/dbraw/zinc/73/92/48/1064739248.db2.gz QCCDJWJERUMXBO-UHFFFAOYSA-N 0 0 455.317 4.886 20 0 JJADRN Cc1cc(Br)cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1C ZINC001435398392 1064739310 /nfs/dbraw/zinc/73/93/10/1064739310.db2.gz VCXFAZOYHXSGFC-OAHLLOKOSA-N 0 0 455.274 4.620 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001359964705 1064739391 /nfs/dbraw/zinc/73/93/91/1064739391.db2.gz DAMBQZQQFRHWLL-UHFFFAOYSA-N 0 0 458.404 4.802 20 0 JJADRN CC(C)CCOCCn1c(-c2cccc3cccnc32)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359964566 1064739466 /nfs/dbraw/zinc/73/94/66/1064739466.db2.gz YSPMESIKAMHDQH-UHFFFAOYSA-N 0 0 489.542 4.904 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC001435399393 1064739717 /nfs/dbraw/zinc/73/97/17/1064739717.db2.gz KLIATUWKIIPTCX-KRWDZBQOSA-N 0 0 452.942 4.576 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)C1(CC)CC ZINC001435399377 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CC(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359967967 1064743833 /nfs/dbraw/zinc/74/38/33/1064743833.db2.gz HKIFZWWQUFZZEB-OAQYLSRUSA-N 0 0 492.064 4.688 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001359968525 1064744443 /nfs/dbraw/zinc/74/44/43/1064744443.db2.gz YWVWVMDJADLAKI-UHFFFAOYSA-N 0 0 483.060 4.609 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)OCc1cc(F)cc(Br)c1 ZINC001435413084 1064744792 /nfs/dbraw/zinc/74/47/92/1064744792.db2.gz QFQHADLCTPNOBQ-LLVKDONJSA-N 0 0 451.317 4.602 20 0 JJADRN O=C(OCc1cc(F)cc(Br)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001435413122 1064744937 /nfs/dbraw/zinc/74/49/37/1064744937.db2.gz RLJCXTFTGXISOS-UHFFFAOYSA-N 0 0 453.285 4.512 20 0 JJADRN Cc1cc(CCC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)ccc1Br ZINC001435413765 1064745277 /nfs/dbraw/zinc/74/52/77/1064745277.db2.gz NXYRGKDVPXBKQG-LJQANCHMSA-N 0 0 455.396 4.833 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC001359969774 1064745419 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COC(=O)c1sc(NC(=O)CCc2ccc(OC)c(Br)c2)nc1C(C)(C)C ZINC001435420101 1064748712 /nfs/dbraw/zinc/74/87/12/1064748712.db2.gz UDGQIEOBUXHYHG-UHFFFAOYSA-N 0 0 455.374 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)o2)CC1 ZINC001435420253 1064748762 /nfs/dbraw/zinc/74/87/62/1064748762.db2.gz WKBIRQAKPBGXLF-ZBFHGGJFSA-N 0 0 459.509 4.888 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1c(F)cccc1Cl ZINC001435421440 1064749023 /nfs/dbraw/zinc/74/90/23/1064749023.db2.gz CRVWPWOOHXTBPH-KBPBESRZSA-N 0 0 454.876 4.810 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC001435421280 1064749049 /nfs/dbraw/zinc/74/90/49/1064749049.db2.gz OGPRYNYOIWLCPY-KGLIPLIRSA-N 0 0 456.942 4.530 20 0 JJADRN COC[C@]1(C(=O)NCc2ccccc2Oc2ccccc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001359972338 1064749120 /nfs/dbraw/zinc/74/91/20/1064749120.db2.gz ULCJVKHDDOTVMK-SANMLTNESA-N 0 0 454.567 4.677 20 0 JJADRN 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1064752073 /nfs/dbraw/zinc/75/20/73/1064752073.db2.gz XKHROQFURCWWFD-WAYWQWQTSA-N 0 0 450.423 4.939 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)c2cnn(Cc3cccs3)c2n1 ZINC001359975507 1064752070 /nfs/dbraw/zinc/75/20/70/1064752070.db2.gz NPRILCBBLPSJDN-UHFFFAOYSA-N 0 0 451.577 4.876 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)Oc1cc(C)ccc1I ZINC001435429885 1064752137 /nfs/dbraw/zinc/75/21/37/1064752137.db2.gz SGACSDABVWMLHZ-UHFFFAOYSA-N 0 0 452.679 4.966 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC001435431271 1064752649 /nfs/dbraw/zinc/75/26/49/1064752649.db2.gz GVKJFZWKFBNUCQ-IBGZPJMESA-N 0 0 455.620 4.514 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cc(Br)cc(OC)c3)n2)cc1 ZINC001435431478 1064753048 /nfs/dbraw/zinc/75/30/48/1064753048.db2.gz KWPBKUFCYYGKJQ-UHFFFAOYSA-N 0 0 452.355 4.721 20 0 JJADRN C[C@@H]1Sc2ccccc2N(C(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC001435432159 1064753793 /nfs/dbraw/zinc/75/37/93/1064753793.db2.gz BXQMDACELFCRFG-KBPBESRZSA-N 0 0 454.411 4.529 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cc(OC)ccc3Br)n2)cc1 ZINC001435431827 1064753664 /nfs/dbraw/zinc/75/36/64/1064753664.db2.gz TVTAJARPXTXDQO-UHFFFAOYSA-N 0 0 452.355 4.721 20 0 JJADRN Cc1ccc(C(=O)C2CCN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC001435431555 1064753701 /nfs/dbraw/zinc/75/37/01/1064753701.db2.gz NMAFAJGCEPMPGL-UHFFFAOYSA-N 0 0 457.361 4.926 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 ZINC001435431572 1064753753 /nfs/dbraw/zinc/75/37/53/1064753753.db2.gz ODUQUBRBOPGHGN-UHFFFAOYSA-N 0 0 457.968 4.848 20 0 JJADRN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001435432160 1064753775 /nfs/dbraw/zinc/75/37/75/1064753775.db2.gz BXQMDACELFCRFG-KGLIPLIRSA-N 0 0 454.411 4.529 20 0 JJADRN CCOC(=O)c1c(NC(=O)Cc2cccc(C)c2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435432821 1064754099 /nfs/dbraw/zinc/75/40/99/1064754099.db2.gz GUIPPMVHFFIDNW-UHFFFAOYSA-N 0 0 458.580 4.708 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)C2CCCC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435432333 1064754156 /nfs/dbraw/zinc/75/41/56/1064754156.db2.gz DEHFAPRXKDWOLN-CQSZACIVSA-N 0 0 450.601 4.983 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCc2cnn(-c3ccccc3)c2)c2cc(F)ccc2OC)c1 ZINC001435433081 1064754172 /nfs/dbraw/zinc/75/41/72/1064754172.db2.gz FOTCLZMEKHKRHZ-HHHXNRCGSA-N 0 0 459.521 4.867 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001359978314 1064754269 /nfs/dbraw/zinc/75/42/69/1064754269.db2.gz UOCSLJDIMBDFHA-HXUWFJFHSA-N 0 0 471.646 4.952 20 0 JJADRN CCCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)cc1 ZINC001359978578 1064754457 /nfs/dbraw/zinc/75/44/57/1064754457.db2.gz BYMMFBSSOGQMJF-QHCPKHFHSA-N 0 0 458.624 4.840 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001435433564 1064754555 /nfs/dbraw/zinc/75/45/55/1064754555.db2.gz HJHPLUFMJOJRIK-PSKUBERUSA-N 0 0 450.482 4.747 20 0 JJADRN CC[C@H](CNC(=O)[C@H](c1ccccc1)N1CCSCC1)Oc1cccc(C(F)(F)F)c1 ZINC001435433406 1064754717 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RUVCBHKZKFPJLX-UHFFFAOYSA-N 0 0 453.974 4.826 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359980984 1064756007 /nfs/dbraw/zinc/75/60/07/1064756007.db2.gz MQJQJDZTPMPRQB-IBGZPJMESA-N 0 0 468.646 4.945 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4S[C@H](C)[C@@H]3C)CC2)cc1C ZINC001435437375 1064756699 /nfs/dbraw/zinc/75/66/99/1064756699.db2.gz YUKGXFOUVMIBLE-RBUKOAKNSA-N 0 0 458.649 4.620 20 0 JJADRN Cc1cnc(C(C)(C)NC(=O)c2cccn2-c2cccc(I)c2)s1 ZINC001435438353 1064757025 /nfs/dbraw/zinc/75/70/25/1064757025.db2.gz YDGBPBJIMVRBOZ-UHFFFAOYSA-N 0 0 451.333 4.512 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc2c(cncc2Br)s1 ZINC001435438956 1064757458 /nfs/dbraw/zinc/75/74/58/1064757458.db2.gz ZBLQFEAOCYPACE-UHFFFAOYSA-N 0 0 456.406 4.682 20 0 JJADRN CCO[C@@H](CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1)C1CCCC1 ZINC001435438748 1064757641 /nfs/dbraw/zinc/75/76/41/1064757641.db2.gz LQVHBLRADDRNTC-QHCPKHFHSA-N 0 0 459.608 4.786 20 0 JJADRN CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1Cc1c(F)cccc1OC(F)F)C(C)C ZINC001359982779 1064758147 /nfs/dbraw/zinc/75/81/47/1064758147.db2.gz FMCYPRWWZWSYHJ-UHFFFAOYSA-N 0 0 476.503 4.585 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(N(C)C)c3ccccc3n2)c2cc(F)ccc2OC)c1 ZINC001435439271 1064758114 /nfs/dbraw/zinc/75/81/14/1064758114.db2.gz ZNBFDAABMWKUMU-AREMUKBSSA-N 0 0 459.521 4.977 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(N(C)C)c3ccccc3n2)c2cc(F)ccc2OC)c1 ZINC001435439275 1064758202 /nfs/dbraw/zinc/75/82/02/1064758202.db2.gz ZNBFDAABMWKUMU-SANMLTNESA-N 0 0 459.521 4.977 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)s2)cc1 ZINC001435440156 1064758218 /nfs/dbraw/zinc/75/82/18/1064758218.db2.gz MNNVFCYWNOKOTP-CTNGQTDRSA-N 0 0 473.392 4.975 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCSC1)C1CCCC1 ZINC001359982783 1064758574 /nfs/dbraw/zinc/75/85/74/1064758574.db2.gz FMHHVLGWPRYFCT-MHECFPHRSA-N 0 0 462.635 4.830 20 0 JJADRN CC(C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001359982920 1064758673 /nfs/dbraw/zinc/75/86/73/1064758673.db2.gz OOUCRYKNEJHHTO-KRWDZBQOSA-N 0 0 451.036 4.859 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccccc2F)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359982892 1064758691 /nfs/dbraw/zinc/75/86/91/1064758691.db2.gz NLZIXGGNJDCALR-UHFFFAOYSA-N 0 0 471.543 4.753 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cn2cccn2)c1 ZINC001359982847 1064758804 /nfs/dbraw/zinc/75/88/04/1064758804.db2.gz LQSCCHRJISVGHG-QHCPKHFHSA-N 0 0 493.656 4.735 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCSC1)C1CCCC1 ZINC001359982782 1064758831 /nfs/dbraw/zinc/75/88/31/1064758831.db2.gz FMHHVLGWPRYFCT-KOSHJBKYSA-N 0 0 462.635 4.830 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)cc2s1 ZINC001435441697 1064759272 /nfs/dbraw/zinc/75/92/72/1064759272.db2.gz XONYFJOTRFVLHI-AWEZNQCLSA-N 0 0 452.001 4.892 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001435442659 1064759764 /nfs/dbraw/zinc/75/97/64/1064759764.db2.gz XMEOAPJUZDRGCA-IPMKNSEASA-N 0 0 450.760 4.850 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001435443496 1064759806 /nfs/dbraw/zinc/75/98/06/1064759806.db2.gz LIOTUYINYQPOBC-STQMWFEESA-N 0 0 451.752 4.600 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1 ZINC001359983262 1064759916 /nfs/dbraw/zinc/75/99/16/1064759916.db2.gz VAQKYRXSTLUSEH-DHIUTWEWSA-N 0 0 450.631 4.582 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(COc3ccccc3)c2C)cc1 ZINC001435444095 1064760344 /nfs/dbraw/zinc/76/03/44/1064760344.db2.gz ULTURBSWTQVGKB-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359983455 1064760402 /nfs/dbraw/zinc/76/04/02/1064760402.db2.gz YKNDRJIURDCJSX-GOSISDBHSA-N 0 0 463.598 4.591 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOc1ccccc1 ZINC001359983311 1064760419 /nfs/dbraw/zinc/76/04/19/1064760419.db2.gz WJXFXQNNRYDHQT-NRFANRHFSA-N 0 0 457.619 4.911 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359983498 1064760814 /nfs/dbraw/zinc/76/08/14/1064760814.db2.gz ZYISAHQBJMXOGT-MRXNPFEDSA-N 0 0 496.450 4.625 20 0 JJADRN C[C@@H](COCC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1ccccc1 ZINC001435445030 1064760959 /nfs/dbraw/zinc/76/09/59/1064760959.db2.gz FUDFGSWJYPPDGC-INIZCTEOSA-N 0 0 452.532 4.530 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C)C1CCCC1 ZINC001359983732 1064761307 /nfs/dbraw/zinc/76/13/07/1064761307.db2.gz XFJPWHLKVIILSE-PGRDOPGGSA-N 0 0 471.621 4.877 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCOCC1)C(C)C ZINC001359983812 1064761569 /nfs/dbraw/zinc/76/15/69/1064761569.db2.gz ZCQKEZOCRFABNH-HXUWFJFHSA-N 0 0 461.626 4.539 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001435446683 1064761970 /nfs/dbraw/zinc/76/19/70/1064761970.db2.gz BJQQZVDKCSFBSX-LJQANCHMSA-N 0 0 455.769 4.896 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccs1)C1CCCC1 ZINC001359984574 1064762248 /nfs/dbraw/zinc/76/22/48/1064762248.db2.gz APOHMVITUXBGSH-UHFFFAOYSA-N 0 0 487.695 4.710 20 0 JJADRN CC1(C)OC(=O)c2c1cccc2C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001435447107 1064762409 /nfs/dbraw/zinc/76/24/09/1064762409.db2.gz GSMJRCIZKDDHAL-UHFFFAOYSA-N 0 0 454.935 4.989 20 0 JJADRN Cc1c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)nnn1Cc1ccc(F)cc1 ZINC001435447469 1064762561 /nfs/dbraw/zinc/76/25/61/1064762561.db2.gz ILQVFGNIVKIWME-UHFFFAOYSA-N 0 0 457.720 4.543 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC001435447261 1064762575 /nfs/dbraw/zinc/76/25/75/1064762575.db2.gz DVFNRDHNIALFEA-LAUBAEHRSA-N 0 0 458.605 4.550 20 0 JJADRN CCOC(=O)CN(C(=O)CCc1c(C)nc(SC)nc1C)c1cc(Cl)cc(Cl)c1 ZINC001435449370 1064763656 /nfs/dbraw/zinc/76/36/56/1064763656.db2.gz ACKUUWOCCRZSEN-UHFFFAOYSA-N 0 0 456.395 4.651 20 0 JJADRN Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001435448751 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CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359995251 1064780181 /nfs/dbraw/zinc/78/01/81/1064780181.db2.gz DTVNTQXHPDGNOV-YJBOKZPZSA-N 0 0 478.435 4.713 20 0 JJADRN Cc1ccc(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(OC[C@H]2CCOC2)c1 ZINC001435477900 1064780527 /nfs/dbraw/zinc/78/05/27/1064780527.db2.gz RNKNYYNURYKWAF-INIZCTEOSA-N 0 0 451.460 4.916 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)c1 ZINC001435478710 1064781040 /nfs/dbraw/zinc/78/10/40/1064781040.db2.gz MMFCSWIXXBJTCR-OAHLLOKOSA-N 0 0 459.955 4.856 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)c1 ZINC001435478686 1064781167 /nfs/dbraw/zinc/78/11/67/1064781167.db2.gz LMGBOUZNOSSMAV-ZDUSSCGKSA-N 0 0 454.564 4.796 20 0 JJADRN CC(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359995488 1064781107 /nfs/dbraw/zinc/78/11/07/1064781107.db2.gz VEXXXGVQYZNPKN-UHFFFAOYSA-N 0 0 464.488 4.667 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001359995545 1064781243 /nfs/dbraw/zinc/78/12/43/1064781243.db2.gz XVQXJBUJPIHHHT-SFHVURJKSA-N 0 0 488.474 4.839 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Oc3cccc(F)c3)cn2)c(C)c1 ZINC001359996364 1064781808 /nfs/dbraw/zinc/78/18/08/1064781808.db2.gz RFTNDOFLTRDCIM-QFIPXVFZSA-N 0 0 451.523 4.784 20 0 JJADRN C[C@@H](C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)c1cnn(C)c1 ZINC001435480043 1064781782 /nfs/dbraw/zinc/78/17/82/1064781782.db2.gz RWWIELVUJMAIGE-CYBMUJFWSA-N 0 0 453.296 4.609 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001435479683 1064781813 /nfs/dbraw/zinc/78/18/13/1064781813.db2.gz MGOUHQSUHVWIQG-IBGZPJMESA-N 0 0 455.287 4.698 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(Cc2ccccc2)ns1)c1ccc(F)cc1 ZINC001359996923 1064782273 /nfs/dbraw/zinc/78/22/73/1064782273.db2.gz GFIGPJXUWUKEEG-SFHVURJKSA-N 0 0 456.543 4.515 20 0 JJADRN COc1cc(OC)c(NC(=O)CCCCc2ccc(I)cc2)cc1F ZINC001435481924 1064782725 /nfs/dbraw/zinc/78/27/25/1064782725.db2.gz NAHPHDDKCSMJNK-UHFFFAOYSA-N 0 0 457.283 4.799 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001435482205 1064782791 /nfs/dbraw/zinc/78/27/91/1064782791.db2.gz GISNUHWUGXYGJF-IBGZPJMESA-N 0 0 452.473 4.905 20 0 JJADRN C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483047 1064783229 /nfs/dbraw/zinc/78/32/29/1064783229.db2.gz LCFFGARMVSVOTE-LBPRGKRZSA-N 0 0 459.369 4.642 20 0 JJADRN C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483122 1064783296 /nfs/dbraw/zinc/78/32/96/1064783296.db2.gz LPTKXNJZOGMHTH-LBPRGKRZSA-N 0 0 454.390 4.665 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@@H](C1CCCCC1)C2 ZINC001435482719 1064783436 /nfs/dbraw/zinc/78/34/36/1064783436.db2.gz DFZTYIPKQSOFLK-RUZDIDTESA-N 0 0 452.570 4.878 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359998060 1064783839 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4.655 20 0 JJADRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC001359999041 1064785534 /nfs/dbraw/zinc/78/55/34/1064785534.db2.gz PFNZNJDTTFRFHP-LJQANCHMSA-N 0 0 459.340 4.895 20 0 JJADRN O=C(Nc1cc(Br)ccc1N1CCCC1)c1cnc(OCc2ccccc2)cn1 ZINC001435487079 1064785479 /nfs/dbraw/zinc/78/54/79/1064785479.db2.gz GDEGMBXMOYWNFM-UHFFFAOYSA-N 0 0 453.340 4.671 20 0 JJADRN CC(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000148 1064786380 /nfs/dbraw/zinc/78/63/80/1064786380.db2.gz APBDHVOXQVCMFI-SJORKVTESA-N 0 0 463.573 4.543 20 0 JJADRN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001360000538 1064786436 /nfs/dbraw/zinc/78/64/36/1064786436.db2.gz KVAJXIUGGMBVNF-UHFFFAOYSA-N 0 0 458.050 4.653 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001435488307 1064786544 /nfs/dbraw/zinc/78/65/44/1064786544.db2.gz UAHWBFOPIQUECC-UHFFFAOYSA-N 0 0 456.877 4.651 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2ccc(C)cc2Oc2ccccc2)C1 ZINC001435489001 1064786569 /nfs/dbraw/zinc/78/65/69/1064786569.db2.gz LHRJKYMPUJXNHY-RLWLMLJZSA-N 0 0 454.567 4.818 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(Oc2ccccc2)c1 ZINC001435489384 1064786866 /nfs/dbraw/zinc/78/68/66/1064786866.db2.gz OUEHESFXXMYODX-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001360000546 1064786877 /nfs/dbraw/zinc/78/68/77/1064786877.db2.gz LBNBDWHWFWTGMQ-HXUWFJFHSA-N 0 0 478.037 4.575 20 0 JJADRN NC(=O)C[C@@H](NC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)c1cccc(Cl)c1 ZINC001435489710 1064786936 /nfs/dbraw/zinc/78/69/36/1064786936.db2.gz FCHICKYEVUKJEQ-MRXNPFEDSA-N 0 0 456.167 4.520 20 0 JJADRN CC(C)(C)n1cc(C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 ZINC001435490372 1064787076 /nfs/dbraw/zinc/78/70/76/1064787076.db2.gz IGLVOSSHYABZJD-LJQANCHMSA-N 0 0 459.377 4.958 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc(F)cc2C1 ZINC001360001069 1064786932 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NCGHCROUKXFKCW-DGCLKSJQSA-N 0 0 450.655 4.928 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001435494850 1064789128 /nfs/dbraw/zinc/78/91/28/1064789128.db2.gz OOJVBOVFBYPPPL-GFCCVEGCSA-N 0 0 453.377 4.952 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001435496091 1064789548 /nfs/dbraw/zinc/78/95/48/1064789548.db2.gz WWSNIBSDEOPAMJ-UHFFFAOYSA-N 0 0 458.316 4.643 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360003436 1064789457 /nfs/dbraw/zinc/78/94/57/1064789457.db2.gz XXXORONFVCTUNY-IERDGZPVSA-N 0 0 456.011 4.850 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360003435 1064789749 /nfs/dbraw/zinc/78/97/49/1064789749.db2.gz XXXORONFVCTUNY-HRAATJIYSA-N 0 0 456.011 4.850 20 0 JJADRN Cc1cnc(COCC(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)o1 ZINC001435496731 1064789910 /nfs/dbraw/zinc/78/99/10/1064789910.db2.gz GSTWCBQGRBRDGN-LBPRGKRZSA-N 0 0 450.358 4.571 20 0 JJADRN CCC(CC)(CNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001360004204 1064790217 /nfs/dbraw/zinc/79/02/17/1064790217.db2.gz HQECEAWOWIZJON-AUSIDOKSSA-N 0 0 453.023 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)C1 ZINC001435497855 1064790670 /nfs/dbraw/zinc/79/06/70/1064790670.db2.gz TWBHNUORLZXSLN-FZMZJTMJSA-N 0 0 456.383 4.754 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(OC(F)(F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001435498114 1064790707 /nfs/dbraw/zinc/79/07/07/1064790707.db2.gz WEXZAZMXNCRVCN-LLVKDONJSA-N 0 0 455.376 4.551 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360004489 1064790835 /nfs/dbraw/zinc/79/08/35/1064790835.db2.gz LSSFUZGMQMPRFZ-FQEVSTJZSA-N 0 0 463.420 4.671 20 0 JJADRN Cc1nc(N2CCOCC2)ccc1NC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001435498864 1064791156 /nfs/dbraw/zinc/79/11/56/1064791156.db2.gz WXVCSUVBXBYNFX-UHFFFAOYSA-N 0 0 458.400 4.830 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC001435500363 1064791752 /nfs/dbraw/zinc/79/17/52/1064791752.db2.gz AACDNPGMDCHXHZ-DNQXCXABSA-N 0 0 453.533 4.883 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360004872 1064791772 /nfs/dbraw/zinc/79/17/72/1064791772.db2.gz UASBAFJEONZDJR-IBGZPJMESA-N 0 0 475.609 4.736 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC001435500350 1064791879 /nfs/dbraw/zinc/79/18/79/1064791879.db2.gz AACDNPGMDCHXHZ-BJKOFHAPSA-N 0 0 453.533 4.883 20 0 JJADRN C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001435503724 1064792959 /nfs/dbraw/zinc/79/29/59/1064792959.db2.gz PQRUYDQCQOBZRH-IWMITWMQSA-N 0 0 450.348 4.768 20 0 JJADRN COc1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)cc1-n1nnnc1C1CC1 ZINC001435505025 1064793277 /nfs/dbraw/zinc/79/32/77/1064793277.db2.gz XIHKZQAIHQYHTE-UHFFFAOYSA-N 0 0 454.264 4.586 20 0 JJADRN C[C@H](NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001435504790 1064793489 /nfs/dbraw/zinc/79/34/89/1064793489.db2.gz XHHJFXXDFRBZMU-YJBOKZPZSA-N 0 0 452.592 4.534 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3cccc(F)c3)n2)cc1C ZINC001360006197 1064793330 /nfs/dbraw/zinc/79/33/30/1064793330.db2.gz DFOJWKUQWJZYOT-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN Cc1c(C(=O)Nc2c(C)cc(C)cc2Br)nnn1-c1ccc(OC(F)F)cc1 ZINC001435505565 1064793812 /nfs/dbraw/zinc/79/38/12/1064793812.db2.gz OCYUOBOTYXQTJK-UHFFFAOYSA-N 0 0 451.271 4.809 20 0 JJADRN CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001360007063 1064794130 /nfs/dbraw/zinc/79/41/30/1064794130.db2.gz OIIXHAACPKAVJH-FQEVSTJZSA-N 0 0 454.617 4.860 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001435507918 1064795158 /nfs/dbraw/zinc/79/51/58/1064795158.db2.gz DVMJNGZUMPXKNN-AOYPEHQESA-N 0 0 456.542 4.537 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 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CC[C@H]1[C@@H](C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCN1C(=O)OC(C)(C)C ZINC001360064879 1064906585 /nfs/dbraw/zinc/90/65/85/1064906585.db2.gz GFBPPRMMXQUXGJ-OALUTQOASA-N 0 0 456.543 4.500 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccc(F)cc1 ZINC001435649387 1064906849 /nfs/dbraw/zinc/90/68/49/1064906849.db2.gz SESUOHVFNBWIRU-GAJHUEQPSA-N 0 0 452.551 4.847 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)[C@H]2Cc3cc(Br)ccc3O2)c(Br)c1 ZINC001435649236 1064906982 /nfs/dbraw/zinc/90/69/82/1064906982.db2.gz HYVNSPVUOSRFHT-BMLIUANNSA-N 0 0 456.130 4.828 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001360065396 1064907103 /nfs/dbraw/zinc/90/71/03/1064907103.db2.gz OIOBRDFJPXDRLM-MGPUTAFESA-N 0 0 458.559 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)CCc3cc(Br)cs3)C[C@@H]21 ZINC001435649977 1064907381 /nfs/dbraw/zinc/90/73/81/1064907381.db2.gz VWCRMEBPKYDFBR-XOKHGSTOSA-N 0 0 457.434 4.595 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CCC2=O)c1 ZINC001435649691 1064907423 /nfs/dbraw/zinc/90/74/23/1064907423.db2.gz XTTLGKUUBJYLBB-UHFFFAOYSA-N 0 0 455.440 4.629 20 0 JJADRN CC(C)COCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360065664 1064907640 /nfs/dbraw/zinc/90/76/40/1064907640.db2.gz AXINHESESLOODS-UZLBHIALSA-N 0 0 486.604 4.962 20 0 JJADRN CC(C)COCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001360065898 1064908402 /nfs/dbraw/zinc/90/84/02/1064908402.db2.gz DHDSSBLWSLXHGN-NRFANRHFSA-N 0 0 493.439 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)CCCc2ccc(Br)cc2)C1 ZINC001435652188 1064909392 /nfs/dbraw/zinc/90/93/92/1064909392.db2.gz BDZUNFQNLAEUND-JOCHJYFZSA-N 0 0 453.421 4.925 20 0 JJADRN CC(C)COCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360066579 1064909460 /nfs/dbraw/zinc/90/94/60/1064909460.db2.gz KYESCGPWXKRPMS-KRWDZBQOSA-N 0 0 452.546 4.613 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCSC2)C1 ZINC001360066424 1064909537 /nfs/dbraw/zinc/90/95/37/1064909537.db2.gz NCANUJVTEJIPRE-ACRUOGEOSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)COCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001360066693 1064910261 /nfs/dbraw/zinc/91/02/61/1064910261.db2.gz MJAIPTHIEMBIBH-UHFFFAOYSA-N 0 0 496.700 4.689 20 0 JJADRN CC(C)COCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360066837 1064910283 /nfs/dbraw/zinc/91/02/83/1064910283.db2.gz OZGLHOMNJQADAA-QGZVFWFLSA-N 0 0 452.441 4.591 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC001435654206 1064910934 /nfs/dbraw/zinc/91/09/34/1064910934.db2.gz WVYVFPNBJKEBPG-QGZVFWFLSA-N 0 0 455.605 4.549 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc([C@H](C)O)cc2)C1 ZINC001360066947 1064910994 /nfs/dbraw/zinc/91/09/94/1064910994.db2.gz QLPWWQKCIWXZHA-ZMUKGBGYSA-N 0 0 470.658 4.550 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001435654524 1064911014 /nfs/dbraw/zinc/91/10/14/1064911014.db2.gz URVSATLDYHFACL-UHFFFAOYSA-N 0 0 458.914 4.723 20 0 JJADRN Cn1c(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc2cc(C(F)(F)F)ccc21 ZINC001435654711 1064911022 /nfs/dbraw/zinc/91/10/22/1064911022.db2.gz POSPIANQOFWEPC-JOCHJYFZSA-N 0 0 453.505 4.964 20 0 JJADRN CC(C)COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360067224 1064911500 /nfs/dbraw/zinc/91/15/00/1064911500.db2.gz VLFBVLUDOAQFCK-KRWDZBQOSA-N 0 0 464.891 4.568 20 0 JJADRN CC(C)COCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001360067178 1064911720 /nfs/dbraw/zinc/91/17/20/1064911720.db2.gz UZENTWQLIRAGNQ-QRTHJKPMSA-N 0 0 495.437 4.507 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C(F)(F)F)cc1 ZINC001435655103 1064911705 /nfs/dbraw/zinc/91/17/05/1064911705.db2.gz RJZVJZBDXBRPJN-GMAHTHKFSA-N 0 0 456.464 4.976 20 0 JJADRN CCc1c(C(=O)Nc2nc3cc(F)ccc3n2CC)cnn1-c1ccc(Br)cc1 ZINC001435656579 1064912370 /nfs/dbraw/zinc/91/23/70/1064912370.db2.gz GFMPFXWLKFINRI-UHFFFAOYSA-N 0 0 456.319 4.958 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC001435657951 1064912849 /nfs/dbraw/zinc/91/28/49/1064912849.db2.gz HCWAUKKRRURGAQ-GFCCVEGCSA-N 0 0 458.274 4.797 20 0 JJADRN CC(C)(CC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)NC(=O)OCc1ccccc1 ZINC001360067789 1064912935 /nfs/dbraw/zinc/91/29/35/1064912935.db2.gz BTJYENQOMMHFOH-UHFFFAOYSA-N 0 0 454.914 4.956 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001360067873 1064912978 /nfs/dbraw/zinc/91/29/78/1064912978.db2.gz FJDCYVVULSQXGZ-LJQANCHMSA-N 0 0 452.898 4.662 20 0 JJADRN CCc1[nH]c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c(C)c1C(=O)OC ZINC001360068247 1064913315 /nfs/dbraw/zinc/91/33/15/1064913315.db2.gz AQBRKALWCCFUOI-QFIPXVFZSA-N 0 0 459.546 4.902 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N(C)[C@@H]3CCN(c4ccccc4Cl)C3=O)c2)cs1 ZINC001360068351 1064913442 /nfs/dbraw/zinc/91/34/42/1064913442.db2.gz CITVADAEFINXQP-OAQYLSRUSA-N 0 0 455.967 4.561 20 0 JJADRN CCOc1ccc(CCCC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1OCC ZINC001360068613 1064913463 /nfs/dbraw/zinc/91/34/63/1064913463.db2.gz HSBIBQGURIFHHS-NRFANRHFSA-N 0 0 458.986 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccccc1Br ZINC001435658569 1064913660 /nfs/dbraw/zinc/91/36/60/1064913660.db2.gz JCEVLNHMJBHRTE-CABCVRRESA-N 0 0 455.418 4.542 20 0 JJADRN CN(C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360069080 1064914107 /nfs/dbraw/zinc/91/41/07/1064914107.db2.gz SZMGNZOJQPXDMK-FQEVSTJZSA-N 0 0 456.329 4.639 20 0 JJADRN CCn1ncc2cc(C(=O)Nc3c(Br)cc(F)cc3Br)c(C)nc21 ZINC001435659423 1064914276 /nfs/dbraw/zinc/91/42/76/1064914276.db2.gz BXOUZMCDIKXSLU-UHFFFAOYSA-N 0 0 456.113 4.676 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Cl)c(I)c2)cnc1Br ZINC001435658725 1064914382 /nfs/dbraw/zinc/91/43/82/1064914382.db2.gz LUMVPCAUMIVDCT-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC(C)COCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001360069519 1064914801 /nfs/dbraw/zinc/91/48/01/1064914801.db2.gz MCXDIUAUMLNLRK-MOPGFXCFSA-N 0 0 477.447 4.633 20 0 JJADRN Cc1cc(C(=O)NCCCOCCOCc2ccccc2)c2ccc(Br)cc2n1 ZINC001435660863 1064914774 /nfs/dbraw/zinc/91/47/74/1064914774.db2.gz KCXBTQMYSSNKTH-UHFFFAOYSA-N 0 0 457.368 4.659 20 0 JJADRN CC(C)COCCCn1c(-c2ccccn2)nnc1N1CCc2cccc(Br)c2C1 ZINC001360069730 1064915409 /nfs/dbraw/zinc/91/54/09/1064915409.db2.gz TULBMHJVCFOOEE-UHFFFAOYSA-N 0 0 470.415 4.728 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)nnc1-c1cccs1 ZINC001435661306 1064915528 /nfs/dbraw/zinc/91/55/28/1064915528.db2.gz VWHLSCNAPFXATN-ZDUSSCGKSA-N 0 0 454.543 4.885 20 0 JJADRN CC(C)COCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360069921 1064915537 /nfs/dbraw/zinc/91/55/37/1064915537.db2.gz ZZEKTPPUWOAIIP-NRFANRHFSA-N 0 0 477.531 4.933 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CS(=O)(=O)c4ccc(Cl)cc43)c(F)c2)cc1 ZINC001435662171 1064916273 /nfs/dbraw/zinc/91/62/73/1064916273.db2.gz MYIGVEZBDPPCEI-NRFANRHFSA-N 0 0 459.926 4.755 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)s2)cc1 ZINC001360070160 1064916181 /nfs/dbraw/zinc/91/61/81/1064916181.db2.gz CFDMQVLCIYCSMG-FQEVSTJZSA-N 0 0 452.580 4.717 20 0 JJADRN CC(C)COCCCn1c(C2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001360070141 1064916232 /nfs/dbraw/zinc/91/62/32/1064916232.db2.gz DRKYQDUHPSAGMP-UHFFFAOYSA-N 0 0 458.622 4.712 20 0 JJADRN CC(C)COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360070416 1064916338 /nfs/dbraw/zinc/91/63/38/1064916338.db2.gz IMWJGZFBOISQNE-BHIFYINESA-N 0 0 477.694 4.938 20 0 JJADRN O=C(Nc1c(Br)cc(F)cc1Br)c1ccccc1N1CCCC1=O ZINC001435663219 1064916793 /nfs/dbraw/zinc/91/67/93/1064916793.db2.gz OUZWOASHVJCWRL-UHFFFAOYSA-N 0 0 456.109 4.730 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC001435663255 1064916900 /nfs/dbraw/zinc/91/69/00/1064916900.db2.gz PFYJWXWTMORMOU-LJQANCHMSA-N 0 0 457.615 4.554 20 0 JJADRN O=C(Nc1c(Br)cc(F)cc1Br)c1cccc(N2CCCC2=O)c1 ZINC001435663048 1064916978 /nfs/dbraw/zinc/91/69/78/1064916978.db2.gz NLJYKECLMLNCFD-UHFFFAOYSA-N 0 0 456.109 4.730 20 0 JJADRN CC(C)COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001360071031 1064916998 /nfs/dbraw/zinc/91/69/98/1064916998.db2.gz RKQBWKFLOHYTBZ-QHAWAJNXSA-N 0 0 495.734 4.786 20 0 JJADRN CC(C)COCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001360070891 1064917020 /nfs/dbraw/zinc/91/70/20/1064917020.db2.gz OUJURTQNSUFMFN-UHFFFAOYSA-N 0 0 453.631 4.854 20 0 JJADRN CC(C)COCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC1CCCC1 ZINC001360071425 1064917360 /nfs/dbraw/zinc/91/73/60/1064917360.db2.gz YMQZISRVAOOOIC-UHFFFAOYSA-N 0 0 479.666 4.766 20 0 JJADRN COc1ccc2c(c1)CC[C@H](NC(=O)c1cc(Br)c(C)cc1Br)C2 ZINC001435663423 1064917369 /nfs/dbraw/zinc/91/73/69/1064917369.db2.gz PDTLFWNGWDPCNA-AWEZNQCLSA-N 0 0 453.174 4.816 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(C2CC2)cs1 ZINC001435665367 1064918478 /nfs/dbraw/zinc/91/84/78/1064918478.db2.gz MEKQZNKSBAMVLD-HIFRSBDPSA-N 0 0 450.507 4.779 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2cc3c(ccnc3Cl)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435665479 1064919197 /nfs/dbraw/zinc/91/91/97/1064919197.db2.gz ASZIUZCAUVPCEZ-HNAYVOBHSA-N 0 0 450.297 4.754 20 0 JJADRN O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001435666612 1064919800 /nfs/dbraw/zinc/91/98/00/1064919800.db2.gz IYQOOJDCUFAGDF-NRFANRHFSA-N 0 0 455.473 4.676 20 0 JJADRN CC(C)CSCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br ZINC001360074307 1064920366 /nfs/dbraw/zinc/92/03/66/1064920366.db2.gz MRLHPCPYUORARG-UHFFFAOYSA-N 0 0 494.503 4.692 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2Br)cnc1N1CCCC[C@@H]1C ZINC001435668487 1064921766 /nfs/dbraw/zinc/92/17/66/1064921766.db2.gz HYNAQWAUJFKBSM-INIZCTEOSA-N 0 0 454.372 4.969 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cnc1N1CCCC[C@@H]1C ZINC001435668352 1064921816 /nfs/dbraw/zinc/92/18/16/1064921816.db2.gz HMXBOKAOUMNBGS-OXJNMPFZSA-N 0 0 459.015 4.576 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2Br)cnc1N1CCCC[C@H]1C ZINC001435668490 1064921826 /nfs/dbraw/zinc/92/18/26/1064921826.db2.gz HYNAQWAUJFKBSM-MRXNPFEDSA-N 0 0 454.372 4.969 20 0 JJADRN Cc1cc(NC(=O)c2cc(I)ccc2F)cnc1N1CCCC[C@H]1C ZINC001435669060 1064922172 /nfs/dbraw/zinc/92/21/72/1064922172.db2.gz LHADNCOATYJJFZ-CYBMUJFWSA-N 0 0 453.299 4.765 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC001435669427 1064922228 /nfs/dbraw/zinc/92/22/28/1064922228.db2.gz OAKXBYYJCQLKTH-UHFFFAOYSA-N 0 0 458.393 4.531 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccn(C)c2-c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435669620 1064922823 /nfs/dbraw/zinc/92/28/23/1064922823.db2.gz QXZRABFCBNCXQW-XUZZJYLKSA-N 0 0 453.945 4.965 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001435669797 1064922909 /nfs/dbraw/zinc/92/29/09/1064922909.db2.gz SKWUTOMSSVCNDC-NRFANRHFSA-N 0 0 454.442 4.501 20 0 JJADRN CC(C)CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360075991 1064923135 /nfs/dbraw/zinc/92/31/35/1064923135.db2.gz BGURQENDLCQLHH-HXUWFJFHSA-N 0 0 464.701 4.610 20 0 JJADRN CC(C)CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001360076135 1064923676 /nfs/dbraw/zinc/92/36/76/1064923676.db2.gz GHEYCRMCMNFKRC-DENIHFKCSA-N 0 0 476.712 4.897 20 0 JJADRN COc1cc([C@H](NC(=O)c2ccccc2OC(F)(F)F)C(F)(F)F)cc(OC)c1OC ZINC001435671755 1064924280 /nfs/dbraw/zinc/92/42/80/1064924280.db2.gz CRXSQGWBKXCTAS-INIZCTEOSA-N 0 0 453.335 4.644 20 0 JJADRN COc1cc([C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc(OC)c1OC ZINC001435672156 1064925347 /nfs/dbraw/zinc/92/53/47/1064925347.db2.gz GGLAZQGJQGDWHO-INIZCTEOSA-N 0 0 453.335 4.644 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001360076423 1064925602 /nfs/dbraw/zinc/92/56/02/1064925602.db2.gz PHERNQWNEABDDE-MRXNPFEDSA-N 0 0 491.510 4.655 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001360076548 1064926379 /nfs/dbraw/zinc/92/63/79/1064926379.db2.gz RGWKEGCFDQPJDD-CABCVRRESA-N 0 0 473.506 4.756 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001360076574 1064926462 /nfs/dbraw/zinc/92/64/62/1064926462.db2.gz ROTAZJKCICMHDA-UHFFFAOYSA-N 0 0 471.646 4.766 20 0 JJADRN COc1cc([C@@H](NC(=O)CCC(=O)c2ccc(C)c(C)c2)C(F)(F)F)cc(OC)c1OC ZINC001435673247 1064926608 /nfs/dbraw/zinc/92/66/08/1064926608.db2.gz NAWTXUINKTYJJQ-JOCHJYFZSA-N 0 0 453.457 4.712 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC001435673493 1064926639 /nfs/dbraw/zinc/92/66/39/1064926639.db2.gz LXMHPBHYGZFIOT-UHFFFAOYSA-N 0 0 451.548 4.559 20 0 JJADRN COc1cc([C@H](NC(=O)c2ccc(-c3ccco3)nc2C)C(F)(F)F)cc(OC)c1OC ZINC001435674526 1064927194 /nfs/dbraw/zinc/92/71/94/1064927194.db2.gz UVOUDHAJILFOIV-FQEVSTJZSA-N 0 0 450.413 4.709 20 0 JJADRN CC(C)CSCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001360076621 1064927230 /nfs/dbraw/zinc/92/72/30/1064927230.db2.gz SCYNOUYEMSSJMU-FQEVSTJZSA-N 0 0 470.618 4.701 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)ccc21 ZINC001435675008 1064927678 /nfs/dbraw/zinc/92/76/78/1064927678.db2.gz JYYSEVQVJCQFBH-HSZRJFAPSA-N 0 0 451.567 4.655 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001360076770 1064927879 /nfs/dbraw/zinc/92/78/79/1064927879.db2.gz URZBBGOQAYFOPF-FDDCHVKYSA-N 0 0 465.063 4.762 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001360076775 1064928317 /nfs/dbraw/zinc/92/83/17/1064928317.db2.gz URZBBGOQAYFOPF-WZONZLPQSA-N 0 0 465.063 4.762 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001360076791 1064928397 /nfs/dbraw/zinc/92/83/97/1064928397.db2.gz UYELYCCQJOFABR-GOSISDBHSA-N 0 0 460.051 4.500 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC001435676016 1064928446 /nfs/dbraw/zinc/92/84/46/1064928446.db2.gz NOCTVYRJCAKKCU-HXUWFJFHSA-N 0 0 456.542 4.689 20 0 JJADRN COc1cc(Br)c(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC001435675689 1064928507 /nfs/dbraw/zinc/92/85/07/1064928507.db2.gz VOYIKZIULKERPQ-UHFFFAOYSA-N 0 0 456.292 4.938 20 0 JJADRN CC(C)CSCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360076923 1064928911 /nfs/dbraw/zinc/92/89/11/1064928911.db2.gz HBXFUCDKLUPSMU-NHCUHLMSSA-N 0 0 495.734 4.848 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC001360077052 1064928929 /nfs/dbraw/zinc/92/89/29/1064928929.db2.gz YGSUGKHVSNUIMR-JOCHJYFZSA-N 0 0 451.640 4.567 20 0 JJADRN CC(C)CSCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC1 ZINC001360077041 1064929111 /nfs/dbraw/zinc/92/91/11/1064929111.db2.gz ISSKVWKAQTWMNW-UHFFFAOYSA-N 0 0 454.644 4.615 20 0 JJADRN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Oc1ccc(F)c(Br)c1 ZINC001435677848 1064929137 /nfs/dbraw/zinc/92/91/37/1064929137.db2.gz BQMCJWBETFVHLJ-UHFFFAOYSA-N 0 0 459.296 4.632 20 0 JJADRN CC(C)CSCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360077073 1064929650 /nfs/dbraw/zinc/92/96/50/1064929650.db2.gz JEJNWTNNOOPMMO-UHFFFAOYSA-N 0 0 473.565 4.564 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC001435678639 1064929638 /nfs/dbraw/zinc/92/96/38/1064929638.db2.gz BACVLCHRILGPOU-CGXNFDGLSA-N 0 0 451.007 4.610 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1scc(Br)c1Br ZINC001435680337 1064930313 /nfs/dbraw/zinc/93/03/13/1064930313.db2.gz GLNAPOAPZHCTIM-OQPBUACISA-N 0 0 451.155 4.918 20 0 JJADRN CC(C)CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](C)C1 ZINC001360077401 1064930823 /nfs/dbraw/zinc/93/08/23/1064930823.db2.gz POCCWXXDUYBMSI-GOSISDBHSA-N 0 0 454.644 5.000 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001360077515 1064930839 /nfs/dbraw/zinc/93/08/39/1064930839.db2.gz SHOBUMRTYMDSOR-JTHBVZDNSA-N 0 0 485.698 4.788 20 0 JJADRN CC(C)CSCCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001360077846 1064931563 /nfs/dbraw/zinc/93/15/63/1064931563.db2.gz YKAOQZRYRCOWJD-HXUWFJFHSA-N 0 0 459.708 4.541 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001360078463 1064932005 /nfs/dbraw/zinc/93/20/05/1064932005.db2.gz VPILHESMORXPAR-INIZCTEOSA-N 0 0 455.502 4.864 20 0 JJADRN COc1ccc(C(=O)NC(CC(C)C)CC(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001360078455 1064932050 /nfs/dbraw/zinc/93/20/50/1064932050.db2.gz VGPGKUZXUHLHSE-NQIIRXRSSA-N 0 0 452.661 4.743 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001360078464 1064932106 /nfs/dbraw/zinc/93/21/06/1064932106.db2.gz VPILHESMORXPAR-MRXNPFEDSA-N 0 0 455.502 4.864 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)c3cc(F)c(F)cc3I)CC2)cc1 ZINC001360078804 1064932676 /nfs/dbraw/zinc/93/26/76/1064932676.db2.gz HKGAAOZLPUUPJB-UHFFFAOYSA-N 0 0 457.258 4.561 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001360079075 1064932849 /nfs/dbraw/zinc/93/28/49/1064932849.db2.gz CPDWSPHXKUTVRR-HXUWFJFHSA-N 0 0 481.707 4.650 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@H]3c4ccccc4CC[C@H]3C)n2)cc(Cl)c1OC ZINC001435684245 1064932702 /nfs/dbraw/zinc/93/27/02/1064932702.db2.gz YWOVNBDJUPGAPU-JLCFBVMHSA-N 0 0 455.942 4.780 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 ZINC001435684750 1064932875 /nfs/dbraw/zinc/93/28/75/1064932875.db2.gz SXRBGQMREGRBAJ-QHCPKHFHSA-N 0 0 456.468 4.872 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001435686292 1064933190 /nfs/dbraw/zinc/93/31/90/1064933190.db2.gz FXUANRYLEDCENW-HVETUWLQSA-N 0 0 453.583 4.987 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)CCSc1ccc2c(c1)OCCO2 ZINC001435686401 1064933446 /nfs/dbraw/zinc/93/34/46/1064933446.db2.gz GOTFYMJVGUQIQU-UHFFFAOYSA-N 0 0 451.592 4.622 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001360079470 1064933860 /nfs/dbraw/zinc/93/38/60/1064933860.db2.gz JSOZNILOITVOCD-XMMPIXPASA-N 0 0 464.626 4.933 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C1 ZINC001360079421 1064934161 /nfs/dbraw/zinc/93/41/61/1064934161.db2.gz ILSKTBGWRRCDNZ-GBESFXJTSA-N 0 0 451.681 4.674 20 0 JJADRN COc1ccc([C@H](C)OC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c(Br)c1 ZINC001435686895 1064934138 /nfs/dbraw/zinc/93/41/38/1064934138.db2.gz IVLKNFXGODFOAB-VIFPVBQESA-N 0 0 455.658 4.939 20 0 JJADRN Cc1c(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)oc2c1C(=O)CCC2 ZINC001360079658 1064934714 /nfs/dbraw/zinc/93/47/14/1064934714.db2.gz URVCNZAOSSALQX-UHFFFAOYSA-N 0 0 451.906 4.952 20 0 JJADRN CC(C)CSCCCn1c(Nc2cnn(C)c2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360079766 1064935186 /nfs/dbraw/zinc/93/51/86/1064935186.db2.gz OGKDYQFQXGJHLI-UHFFFAOYSA-N 0 0 477.679 4.649 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001360079924 1064935270 /nfs/dbraw/zinc/93/52/70/1064935270.db2.gz QXOQBNBLPHGBML-NHCUHLMSSA-N 0 0 452.709 4.839 20 0 JJADRN CC(C)CSCCCn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360079802 1064935343 /nfs/dbraw/zinc/93/53/43/1064935343.db2.gz PCLNEPWFVOMPOX-SANMLTNESA-N 0 0 487.714 4.554 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001360080041 1064935860 /nfs/dbraw/zinc/93/58/60/1064935860.db2.gz TWASWKVROHLBSC-AVJFOWIRSA-N 0 0 494.746 4.750 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC001435690183 1064935820 /nfs/dbraw/zinc/93/58/20/1064935820.db2.gz ZFFCLJLPWGYLFW-QAPCUYQASA-N 0 0 450.988 4.809 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001360080042 1064935870 /nfs/dbraw/zinc/93/58/70/1064935870.db2.gz TWASWKVROHLBSC-BILGYAHESA-N 0 0 494.746 4.750 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NC[C@@H]1COC2(CCCCC2)O1 ZINC001435690107 1064936062 /nfs/dbraw/zinc/93/60/62/1064936062.db2.gz XFBDKSBFOMVWBE-OAHLLOKOSA-N 0 0 454.354 4.558 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435690722 1064936461 /nfs/dbraw/zinc/93/64/61/1064936461.db2.gz DAFGCSUPZFKDLV-WQANXHIZSA-N 0 0 469.420 4.725 20 0 JJADRN CC(C)CSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CO)CC1 ZINC001360080143 1064936479 /nfs/dbraw/zinc/93/64/79/1064936479.db2.gz BIMNOXACRIEJOQ-QGZVFWFLSA-N 0 0 453.052 4.669 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)Nc1cnc2c(c1)COCC2 ZINC001435691385 1064937144 /nfs/dbraw/zinc/93/71/44/1064937144.db2.gz KFQIGMQPPAWQKE-UHFFFAOYSA-N 0 0 450.320 4.501 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001435691064 1064937259 /nfs/dbraw/zinc/93/72/59/1064937259.db2.gz IHRQBROGNKNZDU-VFNWGFHPSA-N 0 0 458.356 4.714 20 0 JJADRN C[C@H]1CN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)c2ccccc2C(=O)N1 ZINC001435691645 1064937860 /nfs/dbraw/zinc/93/78/60/1064937860.db2.gz OYUBMDALROZNTF-LBPRGKRZSA-N 0 0 455.274 4.566 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC001435691843 1064938347 /nfs/dbraw/zinc/93/83/47/1064938347.db2.gz NRVFVXXQKBKCNI-RFAUZJTJSA-N 0 0 458.328 4.841 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360080446 1064938507 /nfs/dbraw/zinc/93/85/07/1064938507.db2.gz ICGBFLDJOLPRFW-IPJJNNNSSA-N 0 0 462.635 4.952 20 0 JJADRN COc1cc(NC(=O)c2cc(Cl)ncc2Br)cc(OC)c1Br ZINC001435691773 1064938540 /nfs/dbraw/zinc/93/85/40/1064938540.db2.gz VTDHDPAPMRTVML-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)cc1Cl ZINC001435692070 1064938963 /nfs/dbraw/zinc/93/89/63/1064938963.db2.gz CQLZBJQDACSQBP-UHFFFAOYSA-N 0 0 458.363 4.597 20 0 JJADRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435692126 1064939052 /nfs/dbraw/zinc/93/90/52/1064939052.db2.gz YFBCMEQDNNTNHT-HKUYNNGSSA-N 0 0 457.343 4.693 20 0 JJADRN Cc1cc(F)c(NC(=O)c2cc(Br)ccc2F)c(I)c1 ZINC001435692909 1064939371 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WTKRVJCJOKMQTC-AWEZNQCLSA-N 0 0 451.386 4.605 20 0 JJADRN CC(C)CSCCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360082701 1064942786 /nfs/dbraw/zinc/94/27/86/1064942786.db2.gz KCTGZZDMNKAHLI-UHFFFAOYSA-N 0 0 499.084 4.735 20 0 JJADRN COc1cc(NC(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)cc(OC)c1C(C)C ZINC001435696852 1064943382 /nfs/dbraw/zinc/94/33/82/1064943382.db2.gz KFIGFGQFGWARSC-MRXNPFEDSA-N 0 0 457.596 4.578 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001360082876 1064943474 /nfs/dbraw/zinc/94/34/74/1064943474.db2.gz ORUYGAWPFPUBEZ-HUUCEWRRSA-N 0 0 493.526 4.899 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@H](C)C1 ZINC001360082942 1064943581 /nfs/dbraw/zinc/94/35/81/1064943581.db2.gz QRWPVYAHSPOVCL-OAHLLOKOSA-N 0 0 471.440 4.851 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[nH]c(=O)n1 ZINC001435698125 1064943988 /nfs/dbraw/zinc/94/39/88/1064943988.db2.gz UXONLMKLUWIZMI-HHXXYDBFSA-N 0 0 457.596 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC001435697866 1064944015 /nfs/dbraw/zinc/94/40/15/1064944015.db2.gz VSLMNJFLXODHSP-OAHLLOKOSA-N 0 0 459.484 4.786 20 0 JJADRN CC(C)CSCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001360082998 1064943885 /nfs/dbraw/zinc/94/38/85/1064943885.db2.gz SLJPBXIHGZAMJR-OAQYLSRUSA-N 0 0 494.709 4.871 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360083014 1064944076 /nfs/dbraw/zinc/94/40/76/1064944076.db2.gz TVKBYFJOGOOVPS-NRFANRHFSA-N 0 0 456.578 4.864 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)Oc1cccc(Br)c1)CC2 ZINC001435697391 1064944104 /nfs/dbraw/zinc/94/41/04/1064944104.db2.gz UQBPPRQVEBKLJZ-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCOCC1 ZINC001360083049 1064944215 /nfs/dbraw/zinc/94/42/15/1064944215.db2.gz VJVPLAHJDGZDBT-UHFFFAOYSA-N 0 0 467.477 4.960 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2OC)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001435698311 1064944441 /nfs/dbraw/zinc/94/44/41/1064944441.db2.gz AOAQLDIOJPENGO-YLJYHZDGSA-N 0 0 457.567 4.951 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2OC)[C@H]2CCCC[C@H]2C)cc1OC ZINC001435698310 1064944471 /nfs/dbraw/zinc/94/44/71/1064944471.db2.gz AOAQLDIOJPENGO-XLIONFOSSA-N 0 0 457.567 4.951 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc2c(cncc2Br)s1 ZINC001435698519 1064944492 /nfs/dbraw/zinc/94/44/92/1064944492.db2.gz XHEBSHCICMTZOC-SNVBAGLBSA-N 0 0 454.752 4.860 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001435698618 1064944581 /nfs/dbraw/zinc/94/45/81/1064944581.db2.gz CHFPONCEFUXMRR-CYBMUJFWSA-N 0 0 458.183 4.702 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)nn1-c1cc(C)cc(C)c1 ZINC001435699589 1064945679 /nfs/dbraw/zinc/94/56/79/1064945679.db2.gz BMJSFNGKXJPSMQ-WZONZLPQSA-N 0 0 454.933 4.748 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001360083930 1064946052 /nfs/dbraw/zinc/94/60/52/1064946052.db2.gz VXEJBVGTAXORMI-GOSISDBHSA-N 0 0 474.625 4.824 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001360083878 1064946148 /nfs/dbraw/zinc/94/61/48/1064946148.db2.gz URRKFWCTVAIXDS-QHCPKHFHSA-N 0 0 485.698 4.650 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001435700830 1064946273 /nfs/dbraw/zinc/94/62/73/1064946273.db2.gz VJQFCKCEHLAMTB-JSGCOSHPSA-N 0 0 458.183 4.918 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(Cc3cc(F)ccc3F)c3ccccc3)C2)c1 ZINC001360085044 1064947084 /nfs/dbraw/zinc/94/70/84/1064947084.db2.gz XIZHGMHOFISVOF-DEOSSOPVSA-N 0 0 452.457 4.708 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC001360085383 1064947166 /nfs/dbraw/zinc/94/71/66/1064947166.db2.gz YEDBGKCCVFHIJG-DEOSSOPVSA-N 0 0 451.567 4.802 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001435702875 1064947553 /nfs/dbraw/zinc/94/75/53/1064947553.db2.gz JWAIVSYSTYHHRE-WSTZPKSXSA-N 0 0 452.473 4.930 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360085464 1064947488 /nfs/dbraw/zinc/94/74/88/1064947488.db2.gz AXVWFQYBYMCOOW-GOSISDBHSA-N 0 0 467.477 4.613 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001360085521 1064947620 /nfs/dbraw/zinc/94/76/20/1064947620.db2.gz CCGLUCIBUKGBRE-CTNGQTDRSA-N 0 0 465.063 4.793 20 0 JJADRN CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001435704259 1064947841 /nfs/dbraw/zinc/94/78/41/1064947841.db2.gz MPVBZUHTPKIFBJ-GOSISDBHSA-N 0 0 458.183 4.764 20 0 JJADRN CC(C)CSCCn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360085785 1064948131 /nfs/dbraw/zinc/94/81/31/1064948131.db2.gz IXALOVHGHFVGFI-IBGZPJMESA-N 0 0 467.724 4.995 20 0 JJADRN CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001360085729 1064948247 /nfs/dbraw/zinc/94/82/47/1064948247.db2.gz HVHNZUYSACRTIJ-IIBYNOLFSA-N 0 0 450.599 4.540 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001360085633 1064948326 /nfs/dbraw/zinc/94/83/26/1064948326.db2.gz FYCMANCXXQCNBM-NRFANRHFSA-N 0 0 478.106 4.537 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360085883 1064948631 /nfs/dbraw/zinc/94/86/31/1064948631.db2.gz KZOMUVHRGZFFLD-IBGZPJMESA-N 0 0 491.677 4.843 20 0 JJADRN CC(C)CSCCn1c(CC(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360085850 1064948700 /nfs/dbraw/zinc/94/87/00/1064948700.db2.gz KCOWVETYYVYWSY-HXUWFJFHSA-N 0 0 467.724 4.949 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001360085934 1064948767 /nfs/dbraw/zinc/94/87/67/1064948767.db2.gz MMPOMHBFULTTFQ-NFBKMPQASA-N 0 0 451.640 4.620 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001360085937 1064948801 /nfs/dbraw/zinc/94/88/01/1064948801.db2.gz MMPOMHBFULTTFQ-REWPJTCUSA-N 0 0 451.640 4.620 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(Br)cc(Br)c2)cc1 ZINC001435706894 1064949213 /nfs/dbraw/zinc/94/92/13/1064949213.db2.gz TWOJGXQZBOHYRX-APPDUMDISA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360086415 1064950018 /nfs/dbraw/zinc/95/00/18/1064950018.db2.gz YAGZHFXARXLHEK-IBGZPJMESA-N 0 0 477.650 4.501 20 0 JJADRN COC(=O)CN(CCc1ccccc1)C(=O)CCCSc1ccc(Br)cc1 ZINC001435709757 1064950265 /nfs/dbraw/zinc/95/02/65/1064950265.db2.gz DRPAOHAHLLTESG-UHFFFAOYSA-N 0 0 450.398 4.566 20 0 JJADRN CC(C)CSCCn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001360087064 1064950876 /nfs/dbraw/zinc/95/08/76/1064950876.db2.gz LRZPESXDLIPKMA-GOSISDBHSA-N 0 0 477.078 4.523 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)Oc1cc(Cl)cnc1Br ZINC001435712131 1064951328 /nfs/dbraw/zinc/95/13/28/1064951328.db2.gz CVLCFZUKJDOQNO-UHFFFAOYSA-N 0 0 455.917 4.898 20 0 JJADRN CC(C)CSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001360087184 1064951428 /nfs/dbraw/zinc/95/14/28/1064951428.db2.gz OAAGETXYVPERGN-SFHVURJKSA-N 0 0 461.701 4.675 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001360087075 1064951467 /nfs/dbraw/zinc/95/14/67/1064951467.db2.gz LWPKVXAAHCVQGR-UHFFFAOYSA-N 0 0 481.641 4.892 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001435714391 1064951897 /nfs/dbraw/zinc/95/18/97/1064951897.db2.gz LEMNQRSRDXEJHX-KRWDZBQOSA-N 0 0 459.732 4.867 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1csc(-c2ccccc2Cl)n1 ZINC001435714747 1064952356 /nfs/dbraw/zinc/95/23/56/1064952356.db2.gz NTXAEMZTHUEGEN-MRXNPFEDSA-N 0 0 450.322 4.791 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)[C@H]1c1ccc(OC)cc1 ZINC001435718247 1064953283 /nfs/dbraw/zinc/95/32/83/1064953283.db2.gz GWEYTRTXOGCWJH-KBQHCZQWSA-N 0 0 458.643 4.875 20 0 JJADRN CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CCO1 ZINC001435719425 1064954169 /nfs/dbraw/zinc/95/41/69/1064954169.db2.gz MEFJRMUZFFJUFK-QPXUXIHVSA-N 0 0 458.643 4.812 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)ccc1F ZINC001360088764 1064953981 /nfs/dbraw/zinc/95/39/81/1064953981.db2.gz YFXVAUNNSIJNDJ-UHFFFAOYSA-N 0 0 454.401 4.688 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(-n2ccnn2)cc1 ZINC001360088796 1064954245 /nfs/dbraw/zinc/95/42/45/1064954245.db2.gz ZIRPDGQJTNMZTN-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435720282 1064954472 /nfs/dbraw/zinc/95/44/72/1064954472.db2.gz DBZSGXRAEKDPBA-UHFFFAOYSA-N 0 0 452.363 4.922 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC2(C)C)CC1 ZINC001360088990 1064955302 /nfs/dbraw/zinc/95/53/02/1064955302.db2.gz GBMKCPUQWCIDMZ-KRWDZBQOSA-N 0 0 462.013 4.867 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360089064 1064955362 /nfs/dbraw/zinc/95/53/62/1064955362.db2.gz ILRHIVDAECVIOL-OALUTQOASA-N 0 0 481.707 4.743 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001435724120 1064956321 /nfs/dbraw/zinc/95/63/21/1064956321.db2.gz HTXIUHNTKNTDBR-TYPHKJRUSA-N 0 0 453.549 4.878 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nccs2)CC1 ZINC001360089398 1064956542 /nfs/dbraw/zinc/95/65/42/1064956542.db2.gz RNMVCEOVVZNZSQ-UHFFFAOYSA-N 0 0 480.682 4.831 20 0 JJADRN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 ZINC001435724436 1064957034 /nfs/dbraw/zinc/95/70/34/1064957034.db2.gz BNLLMBWCXSNDAB-GOSISDBHSA-N 0 0 457.979 4.960 20 0 JJADRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435724554 1064957045 /nfs/dbraw/zinc/95/70/45/1064957045.db2.gz PZZANXWIFPOUJH-RTBURBONSA-N 0 0 451.325 4.767 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2Br)CC1 ZINC001360090034 1064957526 /nfs/dbraw/zinc/95/75/26/1064957526.db2.gz QOPIHTNLXHLPLK-UHFFFAOYSA-N 0 0 488.474 4.830 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(C)Cc3ccccc3C2)CC1 ZINC001360089976 1064957611 /nfs/dbraw/zinc/95/76/11/1064957611.db2.gz OWKNXTCPRHYXOH-UHFFFAOYSA-N 0 0 465.686 4.755 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N(C)CCc2ccc(Br)cc2)c1 ZINC001360091341 1064958434 /nfs/dbraw/zinc/95/84/34/1064958434.db2.gz ODYHZSRQPJGBSO-UHFFFAOYSA-N 0 0 457.162 4.544 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N(C)CCc3ccc(Br)cc3)n2)cc1 ZINC001360091362 1064958449 /nfs/dbraw/zinc/95/84/49/1064958449.db2.gz OVSBDYFQMMETMA-UHFFFAOYSA-N 0 0 458.356 4.532 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C(C)(C)O1 ZINC001435726459 1064958421 /nfs/dbraw/zinc/95/84/21/1064958421.db2.gz OPNFDACYCSSKOE-DHIUTWEWSA-N 0 0 457.636 4.580 20 0 JJADRN COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(COc3cccc(Br)c3)o1)C2 ZINC001360091558 1064959017 /nfs/dbraw/zinc/95/90/17/1064959017.db2.gz WZJYKSQVPWWVEO-UHFFFAOYSA-N 0 0 456.292 4.564 20 0 JJADRN Cc1nc([C@@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c2ccc(Cl)cc2)no1 ZINC001435727899 1064959657 /nfs/dbraw/zinc/95/96/57/1064959657.db2.gz TWNCGZKNVLCTPH-IBGZPJMESA-N 0 0 456.333 4.757 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1=O ZINC001435728753 1064960250 /nfs/dbraw/zinc/96/02/50/1064960250.db2.gz HPWNTHSYVNSUMY-UHFFFAOYSA-N 0 0 458.349 4.734 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)ccc2Br ZINC001435729903 1064960787 /nfs/dbraw/zinc/96/07/87/1064960787.db2.gz FCTWQJAMYAVQIM-UONOGXRCSA-N 0 0 451.361 4.879 20 0 JJADRN CC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 ZINC001435731139 1064961807 /nfs/dbraw/zinc/96/18/07/1064961807.db2.gz JVORVJXCWQHADA-UHFFFAOYSA-N 0 0 451.364 4.928 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N[C@H](c3ccccc3OC(F)F)C(F)(F)F)cc2)C[C@@H](C)O1 ZINC001435731387 1064961919 /nfs/dbraw/zinc/96/19/19/1064961919.db2.gz JSUCKPJXACZQRB-PJIJBLCYSA-N 0 0 458.427 4.935 20 0 JJADRN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001435730938 1064961937 /nfs/dbraw/zinc/96/19/37/1064961937.db2.gz HRZUBKRVKSCWIT-OAHLLOKOSA-N 0 0 454.811 4.722 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001435731784 1064962631 /nfs/dbraw/zinc/96/26/31/1064962631.db2.gz LJPUMRQEIJKKCU-MAUKXSAKSA-N 0 0 458.383 4.591 20 0 JJADRN COCC[C@@H](NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccc(C)o1 ZINC001435733409 1064963024 /nfs/dbraw/zinc/96/30/24/1064963024.db2.gz ZZLVWMIHNHEHQI-HXUWFJFHSA-N 0 0 459.589 4.650 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC001435734117 1064963709 /nfs/dbraw/zinc/96/37/09/1064963709.db2.gz ZQZVLAPGNDLTRU-KGLIPLIRSA-N 0 0 453.461 4.736 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3-n3cccc3)cc2)C1 ZINC001435734389 1064963888 /nfs/dbraw/zinc/96/38/88/1064963888.db2.gz NIDUINHLTLWQKP-QZTJIDSGSA-N 0 0 455.555 4.535 20 0 JJADRN COC(=O)Nc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001435734677 1064964313 /nfs/dbraw/zinc/96/43/13/1064964313.db2.gz RKMBEDSWCASBIR-GOSISDBHSA-N 0 0 451.306 4.520 20 0 JJADRN COC[C@@H](NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)c1ccc(F)c(F)c1 ZINC001435735740 1064964501 /nfs/dbraw/zinc/96/45/01/1064964501.db2.gz IFUAWNLWKGRCKI-HSZRJFAPSA-N 0 0 451.473 4.617 20 0 JJADRN COC[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(F)c(F)c1 ZINC001435736583 1064965087 /nfs/dbraw/zinc/96/50/87/1064965087.db2.gz MPSLMDZKSLUHKR-MRXNPFEDSA-N 0 0 455.324 4.774 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccn(CCc3ccccc3)n2)cc1 ZINC001360094296 1064965225 /nfs/dbraw/zinc/96/52/25/1064965225.db2.gz UMMIHBRHFJLISS-UHFFFAOYSA-N 0 0 455.558 4.986 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC001360093116 1064965284 /nfs/dbraw/zinc/96/52/84/1064965284.db2.gz DLAXDHWMOSXMJL-UHFFFAOYSA-N 0 0 451.573 4.706 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001360094390 1064965363 /nfs/dbraw/zinc/96/53/63/1064965363.db2.gz XPXWQDDSSGQWRT-HHHXNRCGSA-N 0 0 453.579 4.991 20 0 JJADRN C[C@H]1CC(C)(C)N(C(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc21 ZINC001435738415 1064965569 /nfs/dbraw/zinc/96/55/69/1064965569.db2.gz VJOSBMDVLQDMHD-HNNXBMFYSA-N 0 0 454.368 4.868 20 0 JJADRN COC[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccc(F)c(F)c1 ZINC001435739046 1064965603 /nfs/dbraw/zinc/96/56/03/1064965603.db2.gz YQBSBRCDDAKEIU-KRWDZBQOSA-N 0 0 453.308 4.968 20 0 JJADRN COC[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccc(F)c(F)c1 ZINC001435739049 1064965654 /nfs/dbraw/zinc/96/56/54/1064965654.db2.gz YQBSBRCDDAKEIU-QGZVFWFLSA-N 0 0 453.308 4.968 20 0 JJADRN C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC001435737918 1064965758 /nfs/dbraw/zinc/96/57/58/1064965758.db2.gz MRSGLYOJIIFGID-UQBPGWFLSA-N 0 0 451.563 4.747 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1)c1ccc(F)cc1 ZINC001435739428 1064966334 /nfs/dbraw/zinc/96/63/34/1064966334.db2.gz DLTQEBKHPCRYKP-LJQANCHMSA-N 0 0 455.892 4.879 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1cccc(CN3C(=O)CSC3=O)c1)CCC2 ZINC001435740012 1064966362 /nfs/dbraw/zinc/96/63/62/1064966362.db2.gz NYZJWWSAYDJKGD-UHFFFAOYSA-N 0 0 459.365 4.546 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)c2=O)cc1 ZINC001435739682 1064966458 /nfs/dbraw/zinc/96/64/58/1064966458.db2.gz IMNZTIDLVYHHMV-UHFFFAOYSA-N 0 0 450.336 4.630 20 0 JJADRN O=C(O[C@H](c1cc(Br)cs1)C(F)(F)F)C1CN(C(=O)C2CCCCC2)C1 ZINC001435741973 1064966804 /nfs/dbraw/zinc/96/68/04/1064966804.db2.gz QKQADGPXCCEUIO-CQSZACIVSA-N 0 0 454.308 4.696 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cnnn1-c1ccccc1Br ZINC001435741919 1064967020 /nfs/dbraw/zinc/96/70/20/1064967020.db2.gz PQSMZGZGBLQXJE-NSHDSACASA-N 0 0 454.155 4.698 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC001435744574 1064968871 /nfs/dbraw/zinc/96/88/71/1064968871.db2.gz BDDHFJMIFJECAQ-SFTDATJTSA-N 0 0 456.011 4.882 20 0 JJADRN COc1cc(CNC(=O)C[C@H](C)n2ccnc2)cc(Br)c1OCc1ccccc1 ZINC001435745353 1064969861 /nfs/dbraw/zinc/96/98/61/1064969861.db2.gz HFXDKKKGSPOXCI-INIZCTEOSA-N 0 0 458.356 4.501 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC001360095746 1064970878 /nfs/dbraw/zinc/97/08/78/1064970878.db2.gz GUJKINODXYWUFD-REWPJTCUSA-N 0 0 459.359 4.743 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1c(Cl)ccc(I)c1F)CCC2 ZINC001435747966 1064971455 /nfs/dbraw/zinc/97/14/55/1064971455.db2.gz RHUCAXNUOIGGQF-OAHLLOKOSA-N 0 0 459.686 4.900 20 0 JJADRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccc(I)cc1F ZINC001435748753 1064972097 /nfs/dbraw/zinc/97/20/97/1064972097.db2.gz QVQMCKVMCLJNII-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN COC[C@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001360096771 1064972139 /nfs/dbraw/zinc/97/21/39/1064972139.db2.gz KLNFSDIRLKIAPR-IBGZPJMESA-N 0 0 453.457 4.543 20 0 JJADRN COC[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360097095 1064973311 /nfs/dbraw/zinc/97/33/11/1064973311.db2.gz VRQFSUVHMKOIRS-HNNXBMFYSA-N 0 0 459.346 4.892 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001435749804 1064973315 /nfs/dbraw/zinc/97/33/15/1064973315.db2.gz UMJUZYZQVLHJSX-RAKYAITLSA-N 0 0 452.595 4.615 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(C)n(-c3ccccc3Br)n2)cc1 ZINC001435750563 1064974506 /nfs/dbraw/zinc/97/45/06/1064974506.db2.gz XTODGLXCIAHVES-INIZCTEOSA-N 0 0 456.384 4.903 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)cc1 ZINC001435754492 1064978057 /nfs/dbraw/zinc/97/80/57/1064978057.db2.gz URPGUJAPFPGWFY-QHCPKHFHSA-N 0 0 456.652 4.540 20 0 JJADRN O=C(NCCOc1ccccc1C(F)(F)F)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001360098942 1064978148 /nfs/dbraw/zinc/97/81/48/1064978148.db2.gz NKXLGWILEVEJNL-JOCHJYFZSA-N 0 0 454.448 4.598 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c2ccccc2)cc1 ZINC001435755120 1064978182 /nfs/dbraw/zinc/97/81/82/1064978182.db2.gz PPAOUPLNLIYHBX-NOZRDPDXSA-N 0 0 459.565 4.781 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC001360099407 1064978667 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RIBAEKGRVMGZKL-PMACEKPBSA-N 0 0 454.375 4.686 20 0 JJADRN Cc1ccc(F)cc1[C@H](C)OC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001435764175 1064981872 /nfs/dbraw/zinc/98/18/72/1064981872.db2.gz SWEUSUOZPCEZIO-INIZCTEOSA-N 0 0 452.511 4.825 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H]4CCO[C@@H](C(C)(C)C)C4)c(=O)c23)cc1 ZINC001435768182 1064983597 /nfs/dbraw/zinc/98/35/97/1064983597.db2.gz URHSHZQUJKITAF-UYAOXDASSA-N 0 0 453.608 4.533 20 0 JJADRN Cc1cc(NC(=O)c2coc(-c3c(F)cccc3F)n2)nn1CCCOc1ccc(F)cc1 ZINC001435769085 1064984151 /nfs/dbraw/zinc/98/41/51/1064984151.db2.gz CLKQJWGLRIJXCJ-UHFFFAOYSA-N 0 0 456.424 4.985 20 0 JJADRN Cc1csc(C(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)c1I ZINC001435770647 1064985440 /nfs/dbraw/zinc/98/54/40/1064985440.db2.gz GYYCJHPHKCLYSY-MRVPVSSYSA-N 0 0 455.239 4.893 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccccc1 ZINC001435778923 1064987851 /nfs/dbraw/zinc/98/78/51/1064987851.db2.gz WOCLEWNDVJUXKI-XMMPIXPASA-N 0 0 457.530 4.646 20 0 JJADRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@@]4(C)CCN(C(=O)OC(C)(C)C)C4)cc3)ccc2O1 ZINC001435779216 1064987946 /nfs/dbraw/zinc/98/79/46/1064987946.db2.gz BGFJSLGAFUVURB-CLYVBNDRSA-N 0 0 450.579 4.940 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCC3)c1 ZINC001435781394 1064988828 /nfs/dbraw/zinc/98/88/28/1064988828.db2.gz PITOZNSNNLZCCM-UHFFFAOYSA-N 0 0 453.585 4.902 20 0 JJADRN O=C(Nc1cccc(OCC(F)F)n1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001435780341 1064988904 /nfs/dbraw/zinc/98/89/04/1064988904.db2.gz MGRLUCLRKSBNMS-ZDUSSCGKSA-N 0 0 458.292 4.523 20 0 JJADRN NC(=O)CSc1ccccc1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC001435780973 1064989038 /nfs/dbraw/zinc/98/90/38/1064989038.db2.gz OVQJGNIRLLCGRG-UHFFFAOYSA-N 0 0 453.269 4.764 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)c3oc4c(cc(Br)cc4C)c3C)C2)ncn1 ZINC001360108055 1064989701 /nfs/dbraw/zinc/98/97/01/1064989701.db2.gz KPEUSXKQTASMMJ-KRWDZBQOSA-N 0 0 457.372 4.563 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@H](c1ccccc1)c1ccc(F)cc1 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GSTHXLPSNVMOFL-UHFFFAOYSA-N 0 0 451.311 4.587 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(-c2cnco2)cc1 ZINC001360111236 1064992371 /nfs/dbraw/zinc/99/23/71/1064992371.db2.gz DENIOUFNQREKGS-UHFFFAOYSA-N 0 0 454.454 4.846 20 0 JJADRN CCCCCCn1nc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c2ccccc2c1=O ZINC001360111260 1064992403 /nfs/dbraw/zinc/99/24/03/1064992403.db2.gz FASINBHXXJUNLQ-GOSISDBHSA-N 0 0 451.567 4.793 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001435792751 1064992927 /nfs/dbraw/zinc/99/29/27/1064992927.db2.gz UMUFQCISHBSCIR-UHFFFAOYSA-N 0 0 459.877 4.907 20 0 JJADRN CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC001435793546 1064993567 /nfs/dbraw/zinc/99/35/67/1064993567.db2.gz NGGXCLHMBLPYHM-UHFFFAOYSA-N 0 0 458.898 4.907 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001435793617 1064993579 /nfs/dbraw/zinc/99/35/79/1064993579.db2.gz IOMNEROBCIUZNA-JSGCOSHPSA-N 0 0 452.223 4.990 20 0 JJADRN 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CC(C)N(Cc1ccco1)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)N(C)C ZINC001360118202 1065003452 /nfs/dbraw/zinc/00/34/52/1065003452.db2.gz BJMKFBJNUHDACC-UHFFFAOYSA-N 0 0 467.570 4.909 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(CN2CCCC2=O)n1CC1CCC(F)(F)CC1 ZINC001360118212 1065003521 /nfs/dbraw/zinc/00/35/21/1065003521.db2.gz BNOVGGFJANXCCV-UHFFFAOYSA-N 0 0 463.548 4.780 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(O)cc1 ZINC001360118375 1065003975 /nfs/dbraw/zinc/00/39/75/1065003975.db2.gz GCLGUSVMYAKMDT-UHFFFAOYSA-N 0 0 470.371 4.992 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001360118333 1065004112 /nfs/dbraw/zinc/00/41/12/1065004112.db2.gz KTGVMFDIELNCGZ-HSZRJFAPSA-N 0 0 457.615 4.606 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360118691 1065004974 /nfs/dbraw/zinc/00/49/74/1065004974.db2.gz OTAHFUQIUNTNOL-QGZVFWFLSA-N 0 0 478.565 4.792 20 0 JJADRN O=C(N1CCC[C@H](COc2ccccc2Cl)C1)C(F)(F)c1ncccc1Br ZINC001435812733 1065005047 /nfs/dbraw/zinc/00/50/47/1065005047.db2.gz YGHCPRFWNZXRCA-ZDUSSCGKSA-N 0 0 459.718 4.907 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccsc1 ZINC001360118718 1065005439 /nfs/dbraw/zinc/00/54/39/1065005439.db2.gz PGPBUWSGSLWWNE-UHFFFAOYSA-N 0 0 469.611 4.934 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)C(C)(C)C ZINC001360118882 1065005492 /nfs/dbraw/zinc/00/54/92/1065005492.db2.gz RWDOICJBKHRUQN-UHFFFAOYSA-N 0 0 460.582 4.664 20 0 JJADRN Cn1ccc(CCNC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)n1 ZINC001435813145 1065005600 /nfs/dbraw/zinc/00/56/00/1065005600.db2.gz HKBGQTGALBZRIV-UHFFFAOYSA-N 0 0 451.368 4.622 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1 ZINC001360119191 1065006350 /nfs/dbraw/zinc/00/63/50/1065006350.db2.gz YOSJKFOCPGDYLE-NNWRFLSQSA-N 0 0 487.620 4.782 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1 ZINC001360119188 1065006470 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0 0 451.938 4.594 20 0 JJADRN CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)CC2)cc1 ZINC001435817797 1065007997 /nfs/dbraw/zinc/00/79/97/1065007997.db2.gz MSXDNKAHTKJPGG-HXUWFJFHSA-N 0 0 458.524 4.952 20 0 JJADRN COCCn1c2ccccc2nc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001435817837 1065008074 /nfs/dbraw/zinc/00/80/74/1065008074.db2.gz WUBGYLDLIJKJJS-LJQANCHMSA-N 0 0 452.555 4.667 20 0 JJADRN COCCn1c2ccccc2nc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001435817834 1065008131 /nfs/dbraw/zinc/00/81/31/1065008131.db2.gz WUBGYLDLIJKJJS-IBGZPJMESA-N 0 0 452.555 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(OCc2ccccn2)cc1 ZINC001545893529 1065008181 /nfs/dbraw/zinc/00/81/81/1065008181.db2.gz BSPMFWIGTDCNAJ-UHFFFAOYSA-N 0 0 490.652 4.845 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001435818846 1065008480 /nfs/dbraw/zinc/00/84/80/1065008480.db2.gz TZGVYQJSBKISQS-VQIMIIECSA-N 0 0 456.464 4.543 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)c1 ZINC001435819680 1065008639 /nfs/dbraw/zinc/00/86/39/1065008639.db2.gz UHKPTQJBCIHTDL-FQEVSTJZSA-N 0 0 458.555 4.566 20 0 JJADRN Cn1c2cccc(Cl)c2nc1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435818866 1065008707 /nfs/dbraw/zinc/00/87/07/1065008707.db2.gz UGIULTRQCIMKFF-UHFFFAOYSA-N 0 0 457.553 4.933 20 0 JJADRN O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001360120966 1065008874 /nfs/dbraw/zinc/00/88/74/1065008874.db2.gz SVKBNXKFSFSGSQ-MRXNPFEDSA-N 0 0 457.857 4.866 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC001435821078 1065009028 /nfs/dbraw/zinc/00/90/28/1065009028.db2.gz KWVOIKYHZJSGDN-IBGZPJMESA-N 0 0 454.361 4.748 20 0 JJADRN COc1c(Br)cccc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC001435822118 1065009454 /nfs/dbraw/zinc/00/94/54/1065009454.db2.gz CVVILQORKXMSMO-UHFFFAOYSA-N 0 0 455.356 4.619 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O ZINC001360121378 1065009699 /nfs/dbraw/zinc/00/96/99/1065009699.db2.gz RHIBQEYIDUHRPL-QHCPKHFHSA-N 0 0 474.030 4.710 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360121381 1065009710 /nfs/dbraw/zinc/00/97/10/1065009710.db2.gz ROFSDIDRGVIHRE-HKUYNNGSSA-N 0 0 467.536 4.777 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 ZINC001435822906 1065009924 /nfs/dbraw/zinc/00/99/24/1065009924.db2.gz WVYIVYFTLTZKMH-LJQANCHMSA-N 0 0 454.361 4.748 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 ZINC001360121543 1065010287 /nfs/dbraw/zinc/01/02/87/1065010287.db2.gz YPHFWIPGMIWJSY-OALUTQOASA-N 0 0 495.571 4.782 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001360121917 1065010655 /nfs/dbraw/zinc/01/06/55/1065010655.db2.gz NNPJGJQGKBNJNT-QFIPXVFZSA-N 0 0 450.580 4.784 20 0 JJADRN O=C(NC1Cc2ccccc2C1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001435824889 1065011032 /nfs/dbraw/zinc/01/10/32/1065011032.db2.gz DOADNNJAKDCDNT-UHFFFAOYSA-N 0 0 450.201 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435825855 1065011350 /nfs/dbraw/zinc/01/13/50/1065011350.db2.gz BDDVZWVUIIKELB-VWEIPLKFSA-N 0 0 463.018 4.612 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1 ZINC001360122503 1065011714 /nfs/dbraw/zinc/01/17/14/1065011714.db2.gz JOOJEQFEUSVITG-LJQANCHMSA-N 0 0 477.993 4.577 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1COCCO1 ZINC001360122808 1065012803 /nfs/dbraw/zinc/01/28/03/1065012803.db2.gz SBYJPZOCDWAFSL-INIZCTEOSA-N 0 0 495.418 4.739 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001435829286 1065013001 /nfs/dbraw/zinc/01/30/01/1065013001.db2.gz HNBOKWPFBHVMBR-AVRDEDQJSA-N 0 0 451.954 4.522 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)cc2)cc1 ZINC001435831827 1065014517 /nfs/dbraw/zinc/01/45/17/1065014517.db2.gz MLMVVGCVHVIYFH-QHCPKHFHSA-N 0 0 451.592 4.554 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001435832616 1065014923 /nfs/dbraw/zinc/01/49/23/1065014923.db2.gz OWBFUJLGJSTXAH-ZCYQVOJMSA-N 0 0 454.636 4.941 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N3CC=C(c4cccc(Br)c4)CC3)CC2=O)cc1 ZINC001435832840 1065014971 /nfs/dbraw/zinc/01/49/71/1065014971.db2.gz SUBIPSOJIBHICU-HXUWFJFHSA-N 0 0 453.380 4.680 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N[C@@H]2CCOc3ccc(CC)cc32)[C@@H]1c1ccc(OC)cc1 ZINC001435834292 1065015012 /nfs/dbraw/zinc/01/50/12/1065015012.db2.gz ZTVZWTYDJCOXHH-PLXFJCCSSA-N 0 0 450.579 4.587 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCCNC(=O)OC(C)(C)C ZINC001360123738 1065015209 /nfs/dbraw/zinc/01/52/09/1065015209.db2.gz MEYRWMFSTUQQKW-UHFFFAOYSA-N 0 0 470.643 4.655 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnnn1C ZINC001360123940 1065015310 /nfs/dbraw/zinc/01/53/10/1065015310.db2.gz QCBYGEPIAWMMJQ-UHFFFAOYSA-N 0 0 474.059 4.877 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360123917 1065015374 /nfs/dbraw/zinc/01/53/74/1065015374.db2.gz PCYRFSUUADVIEC-UHFFFAOYSA-N 0 0 487.555 4.792 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC001435834369 1065015529 /nfs/dbraw/zinc/01/55/29/1065015529.db2.gz XZRWWPCMJKEPON-HXUWFJFHSA-N 0 0 456.586 4.924 20 0 JJADRN COc1ccc(SCCC(=O)N2CCc3c(Br)ccc(F)c3C2)cc1OC ZINC001435835270 1065016106 /nfs/dbraw/zinc/01/61/06/1065016106.db2.gz BKUMLWUZTMEQHC-UHFFFAOYSA-N 0 0 454.361 4.673 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)c1 ZINC001435836137 1065016358 /nfs/dbraw/zinc/01/63/58/1065016358.db2.gz LUDTUJYCGMQNNW-UHFFFAOYSA-N 0 0 454.361 4.855 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001360124424 1065016591 /nfs/dbraw/zinc/01/65/91/1065016591.db2.gz XJEXMCRWIUPCNB-VNQPRFMTSA-N 0 0 456.411 4.685 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)CCc2ccccc2C(F)(F)F)c1 ZINC001360124569 1065016685 /nfs/dbraw/zinc/01/66/85/1065016685.db2.gz BWFVHOYLKQKFNI-UHFFFAOYSA-N 0 0 455.480 4.769 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)cc1 ZINC001435839414 1065017942 /nfs/dbraw/zinc/01/79/42/1065017942.db2.gz BGTGZFWFGIJCQV-AWEZNQCLSA-N 0 0 455.917 4.757 20 0 JJADRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001435841764 1065018868 /nfs/dbraw/zinc/01/88/68/1065018868.db2.gz RLJJHWRRJXJUTA-JOCHJYFZSA-N 0 0 456.564 4.620 20 0 JJADRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001435841705 1065018947 /nfs/dbraw/zinc/01/89/47/1065018947.db2.gz NWPAAUIOIFFSJP-UHFFFAOYSA-N 0 0 455.234 4.949 20 0 JJADRN CN(C(=O)c1ccc(I)cc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435843271 1065020061 /nfs/dbraw/zinc/02/00/61/1065020061.db2.gz VDFLYCRZNQROLF-QAPCUYQASA-N 0 0 457.258 4.562 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC001435844828 1065020337 /nfs/dbraw/zinc/02/03/37/1065020337.db2.gz OHFYDPFAHOWDPD-HSZRJFAPSA-N 0 0 452.595 4.803 20 0 JJADRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccc(SCc3ccccc3)cc1)C2=O ZINC001435844561 1065020390 /nfs/dbraw/zinc/02/03/90/1065020390.db2.gz AUKAZHBZZOTFGR-IQGLISFBSA-N 0 0 452.576 4.523 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCOc2ncc(Br)cc21 ZINC001435844858 1065020517 /nfs/dbraw/zinc/02/05/17/1065020517.db2.gz AJMYHMABIZOMRH-UHFFFAOYSA-N 0 0 452.280 4.593 20 0 JJADRN Cc1cnc([C@@H](C)CNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC001435845895 1065020682 /nfs/dbraw/zinc/02/06/82/1065020682.db2.gz NJFNBNLZTXOYTF-ZDUSSCGKSA-N 0 0 455.393 4.612 20 0 JJADRN Cc1cnc([C@H](C)CNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC001435845891 1065020754 /nfs/dbraw/zinc/02/07/54/1065020754.db2.gz NJFNBNLZTXOYTF-CYBMUJFWSA-N 0 0 455.393 4.612 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1 ZINC001435845946 1065020938 /nfs/dbraw/zinc/02/09/38/1065020938.db2.gz HNMVRMTYZKPVGR-LJQANCHMSA-N 0 0 455.396 4.825 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001360127394 1065021311 /nfs/dbraw/zinc/02/13/11/1065021311.db2.gz TWHGVLALIPMYBL-GFCCVEGCSA-N 0 0 450.791 4.849 20 0 JJADRN O=C(c1ccn(-c2cccc(Br)c2)n1)N(Cc1ccccc1)CC1CCOCC1 ZINC001360127457 1065021648 /nfs/dbraw/zinc/02/16/48/1065021648.db2.gz UPFYWADAURHNKD-UHFFFAOYSA-N 0 0 454.368 4.704 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1=O ZINC001435850743 1065022956 /nfs/dbraw/zinc/02/29/56/1065022956.db2.gz OFLKXQGCXUFZDO-HNAYVOBHSA-N 0 0 456.411 4.623 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1=O ZINC001435850744 1065022984 /nfs/dbraw/zinc/02/29/84/1065022984.db2.gz OFLKXQGCXUFZDO-KXBFYZLASA-N 0 0 456.411 4.623 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1Cc2c(cc(C)cc2F)N1C(=O)OC(C)(C)C ZINC001435851239 1065023123 /nfs/dbraw/zinc/02/31/23/1065023123.db2.gz HWUWNROGAYNZNB-QFIPXVFZSA-N 0 0 450.514 4.933 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)N2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC001435851148 1065023153 /nfs/dbraw/zinc/02/31/53/1065023153.db2.gz HCMJMEQQGAABDB-UHFFFAOYSA-N 0 0 450.377 4.522 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccncc2)c1 ZINC001435851948 1065023609 /nfs/dbraw/zinc/02/36/09/1065023609.db2.gz IJLBEKOICMSYGY-VVZHRXSXSA-N 0 0 452.551 4.760 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)c2)no1 ZINC001435852242 1065024043 /nfs/dbraw/zinc/02/40/43/1065024043.db2.gz UCHFYUBOBYDKCG-KRWDZBQOSA-N 0 0 457.355 4.592 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnc(Br)c(Br)c1)[C@H]2C ZINC001435852549 1065024620 /nfs/dbraw/zinc/02/46/20/1065024620.db2.gz GOPKKYQHFGBQFL-MNOVXSKESA-N 0 0 454.162 4.763 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)OCc2nc(-c3c(F)cccc3F)cs2)CO1 ZINC001435852601 1065024708 /nfs/dbraw/zinc/02/47/08/1065024708.db2.gz PSCSLSMVMYPBHZ-KBPBESRZSA-N 0 0 453.507 4.659 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435852799 1065024720 /nfs/dbraw/zinc/02/47/20/1065024720.db2.gz WBBVHZRLANWYRL-SFHVURJKSA-N 0 0 455.383 4.906 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)OCc2nc(-c3c(F)cccc3F)cs2)CO1 ZINC001435852604 1065024781 /nfs/dbraw/zinc/02/47/81/1065024781.db2.gz PSCSLSMVMYPBHZ-KGLIPLIRSA-N 0 0 453.507 4.659 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2cc(C(F)(F)F)n(C)n2)CCC3)cc1F ZINC001435853030 1065025172 /nfs/dbraw/zinc/02/51/72/1065025172.db2.gz UOFUQXUZNQTDTR-UHFFFAOYSA-N 0 0 451.445 4.920 20 0 JJADRN Cc1ccc(C(=O)c2c(NC(=O)CSC[C@@H]3CCCCO3)sc3c2CCN(C)C3)cc1 ZINC001435854385 1065026136 /nfs/dbraw/zinc/02/61/36/1065026136.db2.gz FSPUWJGJETUZJH-SFHVURJKSA-N 0 0 458.649 4.516 20 0 JJADRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Br)cc1Br ZINC001360130594 1065026113 /nfs/dbraw/zinc/02/61/13/1065026113.db2.gz CFDMCMHHWGDYCU-CQSZACIVSA-N 0 0 456.153 4.750 20 0 JJADRN COC(=O)CCc1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc1 ZINC001360131099 1065026218 /nfs/dbraw/zinc/02/62/18/1065026218.db2.gz HPDTXZVUOPFVGC-UHFFFAOYSA-N 0 0 451.367 4.992 20 0 JJADRN Cc1ccc(C(=O)c2c(NC(=O)CSC[C@H]3CCCCO3)sc3c2CCN(C)C3)cc1 ZINC001435854384 1065026275 /nfs/dbraw/zinc/02/62/75/1065026275.db2.gz FSPUWJGJETUZJH-GOSISDBHSA-N 0 0 458.649 4.516 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC3(CCC3)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001435855560 1065026744 /nfs/dbraw/zinc/02/67/44/1065026744.db2.gz KJFBJEOLYMWOIH-UHFFFAOYSA-N 0 0 457.368 4.653 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435856195 1065026986 /nfs/dbraw/zinc/02/69/86/1065026986.db2.gz VGESNLUAOLCOHB-IAGOWNOFSA-N 0 0 450.295 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)cc2C1 ZINC001360132827 1065027677 /nfs/dbraw/zinc/02/76/77/1065027677.db2.gz XUANVMIJOKAUPJ-BCHFMIIMSA-N 0 0 471.598 4.708 20 0 JJADRN COCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)c1 ZINC001435856184 1065027855 /nfs/dbraw/zinc/02/78/55/1065027855.db2.gz QXMOIXQZGIVDOO-UHFFFAOYSA-N 0 0 451.544 4.638 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)Nc3ccc(CN4CCOCC4)c(Cl)c3)cs2)cc1 ZINC001435857167 1065028239 /nfs/dbraw/zinc/02/82/39/1065028239.db2.gz GHOPJSPQHNBWDJ-UHFFFAOYSA-N 0 0 457.983 4.947 20 0 JJADRN COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360133791 1065029544 /nfs/dbraw/zinc/02/95/44/1065029544.db2.gz BCHJJQFPZULJES-UHFFFAOYSA-N 0 0 454.567 4.929 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)/C=C/c3csc(C(F)(F)F)c3)c12 ZINC001435860643 1065029660 /nfs/dbraw/zinc/02/96/60/1065029660.db2.gz GSZAXJYRCMEHOE-LLYBFZRZSA-N 0 0 450.486 4.959 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)CCc1cc(Cl)ccc1Br ZINC001435860541 1065029673 /nfs/dbraw/zinc/02/96/73/1065029673.db2.gz HWNFSBZEYFQGTD-UHFFFAOYSA-N 0 0 457.777 4.724 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)/C=C/c3ccsc3C(F)(F)F)c12 ZINC001435861145 1065030208 /nfs/dbraw/zinc/03/02/08/1065030208.db2.gz MDVGOZZCCHZTDN-LLYBFZRZSA-N 0 0 450.486 4.959 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC001435862465 1065030545 /nfs/dbraw/zinc/03/05/45/1065030545.db2.gz KWCSSWDNCUWJSL-UHFFFAOYSA-N 0 0 452.711 4.583 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nn1-c1ccccc1 ZINC001435863097 1065030560 /nfs/dbraw/zinc/03/05/60/1065030560.db2.gz JTAYSSVJFMXBKR-GOSISDBHSA-N 0 0 455.358 4.593 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)Nc2cccc3c2OCO3)c1 ZINC001435862327 1065030716 /nfs/dbraw/zinc/03/07/16/1065030716.db2.gz YAYFLMKCIZXNTB-UHFFFAOYSA-N 0 0 453.292 4.611 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001435863068 1065030748 /nfs/dbraw/zinc/03/07/48/1065030748.db2.gz QDKSKPXJRLQVIT-DLBZAZTESA-N 0 0 456.867 4.826 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC001435863397 1065031180 /nfs/dbraw/zinc/03/11/80/1065031180.db2.gz UOZRGTFCZCNVFV-KRWDZBQOSA-N 0 0 450.551 4.784 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 ZINC001360135594 1065032208 /nfs/dbraw/zinc/03/22/08/1065032208.db2.gz RFKAIQJYWUFGDX-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)c1ccc(C)cc1 ZINC001360136243 1065032767 /nfs/dbraw/zinc/03/27/67/1065032767.db2.gz FYHKBGYKWRJZDH-BVYCBKJFSA-N 0 0 458.624 4.742 20 0 JJADRN Cn1cnc(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)c2)n1 ZINC001435865230 1065033308 /nfs/dbraw/zinc/03/33/08/1065033308.db2.gz VLRLKMAIVDFCQF-QFIPXVFZSA-N 0 0 459.937 4.635 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(I)c2C)cc1 ZINC001435867024 1065033910 /nfs/dbraw/zinc/03/39/10/1065033910.db2.gz JDSCZFLRUUHGDB-LBPRGKRZSA-N 0 0 454.333 4.677 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867425 1065034295 /nfs/dbraw/zinc/03/42/95/1065034295.db2.gz FFQDFBLGYMDMMT-DEOSSOPVSA-N 0 0 453.608 4.661 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001435867177 1065034465 /nfs/dbraw/zinc/03/44/65/1065034465.db2.gz MOJPNGROEQBZBY-CJNGLKHVSA-N 0 0 458.340 4.622 20 0 JJADRN O=C(CSc1ccc2c(c1)OCCO2)Nc1nc2cc(F)c(Br)cc2s1 ZINC001435868461 1065035356 /nfs/dbraw/zinc/03/53/56/1065035356.db2.gz DWOYIRQBEOTJSL-UHFFFAOYSA-N 0 0 455.330 4.700 20 0 JJADRN CC(=O)N(CCC(=O)Nc1nc2cc(F)c(Br)cc2s1)Cc1ccccc1 ZINC001435870480 1065035590 /nfs/dbraw/zinc/03/55/90/1065035590.db2.gz MFPAJNYURJVZRH-UHFFFAOYSA-N 0 0 450.333 4.575 20 0 JJADRN COc1cc(C(=O)Nc2cccc(I)c2C)sc1Br ZINC001435870621 1065036111 /nfs/dbraw/zinc/03/61/11/1065036111.db2.gz SBTKSPDZIWDQEA-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN COCCOc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2C)CCC3)ccn1 ZINC001435870735 1065036130 /nfs/dbraw/zinc/03/61/30/1065036130.db2.gz SMJAPEQRKHBMKZ-UHFFFAOYSA-N 0 0 450.560 4.757 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)NCCc1ccc(F)cc1Cl ZINC001360139588 1065036381 /nfs/dbraw/zinc/03/63/81/1065036381.db2.gz NPDHGPRTFOHRRS-UHFFFAOYSA-N 0 0 458.740 4.645 20 0 JJADRN O=C(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001435872211 1065036618 /nfs/dbraw/zinc/03/66/18/1065036618.db2.gz GMXAONKZTSIRMM-UHFFFAOYSA-N 0 0 451.216 4.864 20 0 JJADRN CS[C@@H](CNC(=O)c1cc(Br)ccc1I)C(C)(C)C ZINC001435871310 1065036632 /nfs/dbraw/zinc/03/66/32/1065036632.db2.gz VYHCMISJUCMGJW-LBPRGKRZSA-N 0 0 456.187 4.561 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c(C)c1 ZINC001435871909 1065036830 /nfs/dbraw/zinc/03/68/30/1065036830.db2.gz KQRGCSXCSMRBMI-NHCUHLMSSA-N 0 0 452.595 4.882 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001435872537 1065037234 /nfs/dbraw/zinc/03/72/34/1065037234.db2.gz SXHDAAOFOXHMGC-XMMPIXPASA-N 0 0 458.480 4.978 20 0 JJADRN O=C(Nc1cc2c(cc1Cl)CCC2=O)C1(c2ccc(I)cc2)CC1 ZINC001435874830 1065038354 /nfs/dbraw/zinc/03/83/54/1065038354.db2.gz CQWKDIXKJXMDFL-UHFFFAOYSA-N 0 0 451.691 4.744 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)OCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001435874720 1065038532 /nfs/dbraw/zinc/03/85/32/1065038532.db2.gz YPDRFIHGALIKIE-UHFFFAOYSA-N 0 0 454.980 4.859 20 0 JJADRN CC(C)(C(=O)NC[C@@H]1CSCCN1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876411 1065039591 /nfs/dbraw/zinc/03/95/91/1065039591.db2.gz WMSXLQOHCVQOEY-GOSISDBHSA-N 0 0 457.690 4.883 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)c2ccccc2)n1 ZINC001435876745 1065039686 /nfs/dbraw/zinc/03/96/86/1065039686.db2.gz FAAJYMGBFVDQFT-LJQANCHMSA-N 0 0 456.333 4.893 20 0 JJADRN O=C(Nc1cnccc1-c1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001435878079 1065039927 /nfs/dbraw/zinc/03/99/27/1065039927.db2.gz KQVKGVXIMHYCHK-UHFFFAOYSA-N 0 0 455.967 4.829 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Oc2ccc(-c3ncnn3C)cc2)cc1 ZINC001435880017 1065040814 /nfs/dbraw/zinc/04/08/14/1065040814.db2.gz ZZKRHKIOWIIBHE-UHFFFAOYSA-N 0 0 458.543 4.741 20 0 JJADRN COc1ccc(C(=O)Nc2cc(OC)c(Br)cc2Br)nc1Cl ZINC001435880272 1065040982 /nfs/dbraw/zinc/04/09/82/1065040982.db2.gz JDUSNQBYFGRXNG-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)c3nc(F)ccc3Br)c12 ZINC001435881139 1065041583 /nfs/dbraw/zinc/04/15/83/1065041583.db2.gz GGYIHNUANXYWMT-UHFFFAOYSA-N 0 0 454.303 4.895 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c1 ZINC001435881635 1065041856 /nfs/dbraw/zinc/04/18/56/1065041856.db2.gz DEBJDDPYRKJUCG-UHFFFAOYSA-N 0 0 454.983 4.633 20 0 JJADRN O=C(NCCc1cccc(F)c1F)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001360142379 1065042695 /nfs/dbraw/zinc/04/26/95/1065042695.db2.gz LLICJFYHODUGBP-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)CCCOC1CCOCC1)C1CC1 ZINC001435882483 1065042874 /nfs/dbraw/zinc/04/28/74/1065042874.db2.gz RCBAPVIOUXIZNZ-NRFANRHFSA-N 0 0 458.382 4.564 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1ccc(Br)cc1C ZINC001360142937 1065042930 /nfs/dbraw/zinc/04/29/30/1065042930.db2.gz ZZAOTGMSXCQZLP-SFHVURJKSA-N 0 0 459.167 4.980 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cccc(Br)n2)cc1 ZINC001360142559 1065043210 /nfs/dbraw/zinc/04/32/10/1065043210.db2.gz UUGSPHZDHFERLR-FQEVSTJZSA-N 0 0 450.336 4.753 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001435886128 1065044563 /nfs/dbraw/zinc/04/45/63/1065044563.db2.gz WPZHJKKFNHBTOJ-QZTJIDSGSA-N 0 0 455.368 4.725 20 0 JJADRN CCCCc1nc(NC(=O)CSCc2ccc(Br)cc2)c(C(=O)OCC)[nH]1 ZINC001435887208 1065044967 /nfs/dbraw/zinc/04/49/67/1065044967.db2.gz PCZZQLGQXYHOAH-UHFFFAOYSA-N 0 0 454.390 4.563 20 0 JJADRN COc1ccc(C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)nc1Br ZINC001435889682 1065046499 /nfs/dbraw/zinc/04/64/99/1065046499.db2.gz KXDKXOIUJAQFIP-UHFFFAOYSA-N 0 0 453.218 4.581 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 ZINC001360145296 1065046671 /nfs/dbraw/zinc/04/66/71/1065046671.db2.gz NFHSKVYUDXANNN-UHFFFAOYSA-N 0 0 451.592 4.852 20 0 JJADRN CC[C@H](CN(C)C(=O)C1CCN(C(=O)N(CC)CC)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889894 1065047173 /nfs/dbraw/zinc/04/71/73/1065047173.db2.gz KVUXGTXPMHPNTO-QGZVFWFLSA-N 0 0 458.430 4.783 20 0 JJADRN C[C@H](CN(C)C(=O)CCCNC(=O)c1ccc(F)cc1F)Oc1ccc(Cl)c(Cl)c1 ZINC001435890605 1065047498 /nfs/dbraw/zinc/04/74/98/1065047498.db2.gz VCOCNPLPQKMZSM-CYBMUJFWSA-N 0 0 459.320 4.708 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001435890628 1065047533 /nfs/dbraw/zinc/04/75/33/1065047533.db2.gz OXUZLWDLGDADLX-PJVYBRLRSA-N 0 0 459.439 4.867 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001435890626 1065047625 /nfs/dbraw/zinc/04/76/25/1065047625.db2.gz OXUZLWDLGDADLX-ARHXWZJCSA-N 0 0 459.439 4.867 20 0 JJADRN CC(C)N(C(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(N2CCOCC2)cc1 ZINC001360146120 1065047995 /nfs/dbraw/zinc/04/79/95/1065047995.db2.gz VQIJKHQSQUPOPR-UHFFFAOYSA-N 0 0 457.368 4.503 20 0 JJADRN C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001435891819 1065048523 /nfs/dbraw/zinc/04/85/23/1065048523.db2.gz PDSZKYGJHVNSMO-HKWRFOASSA-N 0 0 454.636 4.900 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC001435893387 1065048928 /nfs/dbraw/zinc/04/89/28/1065048928.db2.gz CHWMQUWWMIATAS-NRFANRHFSA-N 0 0 455.551 4.525 20 0 JJADRN CCc1c(C(=O)Oc2cc(F)cc(I)c2)cnn1-c1ccc(F)cc1 ZINC001435892741 1065048962 /nfs/dbraw/zinc/04/89/62/1065048962.db2.gz IOJNXTUVBAIUCU-UHFFFAOYSA-N 0 0 454.214 4.537 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1cccc(OCc2cscn2)c1 ZINC001435893207 1065049150 /nfs/dbraw/zinc/04/91/50/1065049150.db2.gz QLUNJAWWEIIHIZ-UHFFFAOYSA-N 0 0 455.248 4.685 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001435895265 1065049998 /nfs/dbraw/zinc/04/99/98/1065049998.db2.gz QBOHTZQASSVYKH-UHFFFAOYSA-N 0 0 454.264 4.571 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1 ZINC001435894725 1065050032 /nfs/dbraw/zinc/05/00/32/1065050032.db2.gz JHHFFRKDQVYNTJ-UHFFFAOYSA-N 0 0 451.991 4.832 20 0 JJADRN CC1(C)CC[C@@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)OC1 ZINC001435895957 1065050415 /nfs/dbraw/zinc/05/04/15/1065050415.db2.gz UPVJBTQDMXWVBO-LBPRGKRZSA-N 0 0 456.242 4.949 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3C)CC2)c1 ZINC001435898761 1065051669 /nfs/dbraw/zinc/05/16/69/1065051669.db2.gz CWGDEBKEYZWMMW-UHFFFAOYSA-N 0 0 454.368 4.972 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2OC)c(I)c1 ZINC001435898547 1065051736 /nfs/dbraw/zinc/05/17/36/1065051736.db2.gz WBLIQTJXJMEVFY-UHFFFAOYSA-N 0 0 452.075 4.868 20 0 JJADRN C[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)CC(C)(C)C ZINC001435899463 1065052273 /nfs/dbraw/zinc/05/22/73/1065052273.db2.gz JJNMLNRIUHKORO-LJQANCHMSA-N 0 0 450.689 4.963 20 0 JJADRN Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435900458 1065052742 /nfs/dbraw/zinc/05/27/42/1065052742.db2.gz DHFUOPXCKKPGKX-UHFFFAOYSA-N 0 0 459.255 4.978 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)c(Br)c3)CC2=O)cc1 ZINC001435900272 1065052825 /nfs/dbraw/zinc/05/28/25/1065052825.db2.gz NKCQOZCLJOFSFR-AWEZNQCLSA-N 0 0 455.274 4.764 20 0 JJADRN CCc1c(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)nnn1Cc1ccccc1 ZINC001435901310 1065053098 /nfs/dbraw/zinc/05/30/98/1065053098.db2.gz ZHNKXDZGFZFCOC-UHFFFAOYSA-N 0 0 453.262 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccccc1OC(C)C ZINC001545894024 1065053212 /nfs/dbraw/zinc/05/32/12/1065053212.db2.gz MNXRQFQKIAIPMV-SFHVURJKSA-N 0 0 463.573 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(OC3COC3)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435900516 1065053313 /nfs/dbraw/zinc/05/33/13/1065053313.db2.gz BUQOIKNOGADTAZ-YADHBBJMSA-N 0 0 472.969 4.707 20 0 JJADRN Cc1c(NC(=O)c2cccnc2SCc2ccc(F)cc2)nnn1Cc1ccccc1F ZINC001435903540 1065054422 /nfs/dbraw/zinc/05/44/22/1065054422.db2.gz NNGZURNIWQDJKX-UHFFFAOYSA-N 0 0 451.502 4.853 20 0 JJADRN CCc1c(NC(=O)CCCc2ccc(Br)s2)nnn1Cc1ccc(F)cc1 ZINC001435903612 1065054434 /nfs/dbraw/zinc/05/44/34/1065054434.db2.gz PYANFFONTHFSLN-UHFFFAOYSA-N 0 0 451.365 4.813 20 0 JJADRN Cc1c(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cnn1-c1cccc(C)c1 ZINC001435903706 1065054608 /nfs/dbraw/zinc/05/46/08/1065054608.db2.gz SPHRXCVRTKDZTO-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN Cc1c(NC(=O)c2cc(N(C)C)c3ccccc3n2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903524 1065054629 /nfs/dbraw/zinc/05/46/29/1065054629.db2.gz MYDAQXUQLMBIFR-UHFFFAOYSA-N 0 0 454.456 4.520 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC001435904515 1065054983 /nfs/dbraw/zinc/05/49/83/1065054983.db2.gz NPKRGFWUXBTTNV-DEDYPNTBSA-N 0 0 453.424 4.575 20 0 JJADRN Cc1c(NC(=O)c2ccc(F)c(Br)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903890 1065055031 /nfs/dbraw/zinc/05/50/31/1065055031.db2.gz YPENDWQHHNUVFD-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC001360150898 1065054960 /nfs/dbraw/zinc/05/49/60/1065054960.db2.gz NSKQKCCTKBVDIR-CVDCTZTESA-N 0 0 454.592 4.655 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC001360150899 1065055132 /nfs/dbraw/zinc/05/51/32/1065055132.db2.gz NSKQKCCTKBVDIR-WMZHIEFXSA-N 0 0 454.592 4.655 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001435905156 1065055279 /nfs/dbraw/zinc/05/52/79/1065055279.db2.gz UZEFMMDZVPWBHW-INIZCTEOSA-N 0 0 458.358 4.782 20 0 JJADRN CSC[C@H](C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001360151904 1065055536 /nfs/dbraw/zinc/05/55/36/1065055536.db2.gz SXFCCFVREPVACX-ULLYJBBUSA-N 0 0 451.588 4.651 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)nc21 ZINC001360151688 1065055844 /nfs/dbraw/zinc/05/58/44/1065055844.db2.gz KPDJYWGYXBJXMY-UHFFFAOYSA-N 0 0 450.417 4.960 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)c(I)c1 ZINC001435906440 1065055955 /nfs/dbraw/zinc/05/59/55/1065055955.db2.gz HDTAPWSBZFMENI-GTNSWQLSSA-N 0 0 459.686 4.686 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001435906549 1065055991 /nfs/dbraw/zinc/05/59/91/1065055991.db2.gz GRMKECWPQZRBLG-UHFFFAOYSA-N 0 0 450.888 4.876 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1CN1CCOCC1 ZINC001435906761 1065056258 /nfs/dbraw/zinc/05/62/58/1065056258.db2.gz MUQBGERXZGYCAK-UHFFFAOYSA-N 0 0 452.904 4.653 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)cc2)cc1 ZINC001360153980 1065056969 /nfs/dbraw/zinc/05/69/69/1065056969.db2.gz LIUDYBKKUZUZAZ-NRFANRHFSA-N 0 0 450.604 4.798 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001435908167 1065057081 /nfs/dbraw/zinc/05/70/81/1065057081.db2.gz CGFFLAKGXMNNQT-HNNXBMFYSA-N 0 0 459.384 4.755 20 0 JJADRN Cc1ccc(-c2nc(C(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cs2)n1C ZINC001435908285 1065057119 /nfs/dbraw/zinc/05/71/19/1065057119.db2.gz PKXNVDDANGWVSZ-UHFFFAOYSA-N 0 0 452.580 4.638 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001435909280 1065058127 /nfs/dbraw/zinc/05/81/27/1065058127.db2.gz JDTYHBMQTSWEKI-WAIKUNEKSA-N 0 0 459.384 4.577 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CC=CCC2)c2ccccc2c1=O ZINC001360156610 1065058475 /nfs/dbraw/zinc/05/84/75/1065058475.db2.gz GSXBZTUKYAJGHH-MRXNPFEDSA-N 0 0 460.504 4.591 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)c(=O)[nH]1 ZINC001435910459 1065058945 /nfs/dbraw/zinc/05/89/45/1065058945.db2.gz PIBMLXMVPFTFNO-CYBMUJFWSA-N 0 0 457.324 4.725 20 0 JJADRN O=C(O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)c1ccc(F)cc1I ZINC001435912454 1065059831 /nfs/dbraw/zinc/05/98/31/1065059831.db2.gz PAUFADJNFMBHHR-AWEZNQCLSA-N 0 0 456.148 4.900 20 0 JJADRN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccc(Cl)cn1 ZINC001435912632 1065059874 /nfs/dbraw/zinc/05/98/74/1065059874.db2.gz MOWBZQZCZFUNJM-KGLIPLIRSA-N 0 0 457.379 4.727 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cc(F)c(F)cc1F ZINC001435914011 1065060982 /nfs/dbraw/zinc/06/09/82/1065060982.db2.gz OZMNJAJSCRSRNY-CYBMUJFWSA-N 0 0 458.274 4.696 20 0 JJADRN COc1ccc(C2(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)CCC2)cc1 ZINC001360162375 1065061278 /nfs/dbraw/zinc/06/12/78/1065061278.db2.gz XIHKMYXPYGVLGG-QHCPKHFHSA-N 0 0 457.014 4.739 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2Br)CC1 ZINC001435915234 1065061215 /nfs/dbraw/zinc/06/12/15/1065061215.db2.gz FDWIIENYMHPNNZ-UHFFFAOYSA-N 0 0 458.331 4.852 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)Cc1coc2ccccc12 ZINC001435915154 1065061276 /nfs/dbraw/zinc/06/12/76/1065061276.db2.gz YQGMZERVZKMORQ-GOSISDBHSA-N 0 0 458.352 4.954 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccc(F)cc1F ZINC001435915252 1065061420 /nfs/dbraw/zinc/06/14/20/1065061420.db2.gz FOBIOCXVKLCDDH-CQSZACIVSA-N 0 0 452.343 4.611 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360162591 1065061740 /nfs/dbraw/zinc/06/17/40/1065061740.db2.gz OUUWDAHVSWAYHK-DBXWQHBBSA-N 0 0 473.637 4.983 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360163100 1065062121 /nfs/dbraw/zinc/06/21/21/1065062121.db2.gz ZFZQJXYTIJZIHC-VQIMIIECSA-N 0 0 475.062 4.632 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2cc(C(=O)OC)c(C)cc2C)cc1OC ZINC001435917357 1065062306 /nfs/dbraw/zinc/06/23/06/1065062306.db2.gz FQRWTGORXSCUSM-UHFFFAOYSA-N 0 0 450.329 4.902 20 0 JJADRN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)C1CC1 ZINC001360165499 1065062678 /nfs/dbraw/zinc/06/26/78/1065062678.db2.gz PQWIBPSROBOPRU-NYUBLWNDSA-N 0 0 450.645 4.591 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)s1 ZINC001360167042 1065062787 /nfs/dbraw/zinc/06/27/87/1065062787.db2.gz LULOUQAPQNXUNK-KRWDZBQOSA-N 0 0 457.573 4.629 20 0 JJADRN Cc1c(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435918190 1065062803 /nfs/dbraw/zinc/06/28/03/1065062803.db2.gz OXGOALAMVOJFTN-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN Cn1ncc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1C(F)(F)F ZINC001435918512 1065062881 /nfs/dbraw/zinc/06/28/81/1065062881.db2.gz YFKBJVBTLXERQK-UHFFFAOYSA-N 0 0 452.477 4.644 20 0 JJADRN C[C@H](CNC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435917992 1065062989 /nfs/dbraw/zinc/06/29/89/1065062989.db2.gz DIVUDHDAQZHYTM-MRXNPFEDSA-N 0 0 457.514 4.578 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(F)cc(Br)c1 ZINC001435918111 1065063020 /nfs/dbraw/zinc/06/30/20/1065063020.db2.gz RWVCAMYFZFSFSE-UHFFFAOYSA-N 0 0 451.336 4.854 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)cc1OC ZINC001435919102 1065063266 /nfs/dbraw/zinc/06/32/66/1065063266.db2.gz CXYINSWJYXSCRG-UHFFFAOYSA-N 0 0 456.720 4.939 20 0 JJADRN CS(=O)(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)ccc1Cl ZINC001435919845 1065063355 /nfs/dbraw/zinc/06/33/55/1065063355.db2.gz DPQFSUFGZVLCLB-UHFFFAOYSA-N 0 0 456.789 4.957 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919858 1065063497 /nfs/dbraw/zinc/06/34/97/1065063497.db2.gz DYQSWVKAHZDKRA-NMTNEYKDSA-N 0 0 456.627 4.756 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919963 1065063927 /nfs/dbraw/zinc/06/39/27/1065063927.db2.gz GCMFJYGNFVMEJV-RBBKRZOGSA-N 0 0 455.599 4.924 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360169680 1065064216 /nfs/dbraw/zinc/06/42/16/1065064216.db2.gz ODTAAMOPUSZHGI-YOEHRIQHSA-N 0 0 473.490 4.700 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC001435921821 1065064822 /nfs/dbraw/zinc/06/48/22/1065064822.db2.gz RNNYBMWYEKSKPN-SFHVURJKSA-N 0 0 458.427 4.908 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1C[C@H]1CCCC1(C)C ZINC001360171817 1065065182 /nfs/dbraw/zinc/06/51/82/1065065182.db2.gz BYIIUPDVGHTECK-QGZVFWFLSA-N 0 0 451.537 4.898 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)cc1 ZINC001360171595 1065065199 /nfs/dbraw/zinc/06/51/99/1065065199.db2.gz JJCHMYKJKNCDMZ-UHFFFAOYSA-N 0 0 452.624 4.797 20 0 JJADRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)O[C@H](c1ccccc1)C1CCCCC1 ZINC001435922794 1065065351 /nfs/dbraw/zinc/06/53/51/1065065351.db2.gz HJUHEHWARVRMAU-OAQYLSRUSA-N 0 0 456.336 4.910 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC001435924157 1065065848 /nfs/dbraw/zinc/06/58/48/1065065848.db2.gz IQSIVPYDVSSMFF-ZIAGYGMSSA-N 0 0 459.461 4.730 20 0 JJADRN Cc1cc2scc(CC(=O)NCCCNC(=O)c3cccc(Br)c3)c2s1 ZINC001360173653 1065065918 /nfs/dbraw/zinc/06/59/18/1065065918.db2.gz HPBRXTGZXZMCGJ-UHFFFAOYSA-N 0 0 451.411 4.513 20 0 JJADRN CC(C)(C(=O)NCCCNC(=O)c1cccc(Br)c1)c1cccc2ccccc21 ZINC001360173627 1065065973 /nfs/dbraw/zinc/06/59/73/1065065973.db2.gz GILVSZZGTMBTJA-UHFFFAOYSA-N 0 0 453.380 4.816 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1Cc1ccc(-c2ccsc2)nc1 ZINC001360173437 1065066074 /nfs/dbraw/zinc/06/60/74/1065066074.db2.gz YEOALVJEPMHWAS-UHFFFAOYSA-N 0 0 481.025 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C)Cc1ccc(OC)cc1 ZINC001545894203 1065066286 /nfs/dbraw/zinc/06/62/86/1065066286.db2.gz RFAILKZWEYNFHF-HKUYNNGSSA-N 0 0 495.590 4.863 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)c1 ZINC001360175049 1065066467 /nfs/dbraw/zinc/06/64/67/1065066467.db2.gz VVNDDVBGRXAUQH-NRFANRHFSA-N 0 0 452.620 4.538 20 0 JJADRN Cc1cccc2sc(C(=O)N3CCN(C(=O)[C@H](C)Oc4ccccc4C)CC3)c(Cl)c21 ZINC001360174973 1065066516 /nfs/dbraw/zinc/06/65/16/1065066516.db2.gz UTBOOVCGMKXJQI-KRWDZBQOSA-N 0 0 456.995 4.923 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)nn1-c1ccccc1C(C)C ZINC001435925634 1065066603 /nfs/dbraw/zinc/06/66/03/1065066603.db2.gz NKXFIXOQORULBA-UHFFFAOYSA-N 0 0 456.388 4.776 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@H](c3ccccc3)C3CCCCC3)n(C)c2)C1 ZINC001435925129 1065066698 /nfs/dbraw/zinc/06/66/98/1065066698.db2.gz OVBHMALHHHMBBN-NTKDMRAZSA-N 0 0 458.624 4.924 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC001360178030 1065066774 /nfs/dbraw/zinc/06/67/74/1065066774.db2.gz NCTJNWCJXWTQOK-QFIPXVFZSA-N 0 0 456.586 4.592 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CCOC1CCCCCC1 ZINC001360176832 1065067012 /nfs/dbraw/zinc/06/70/12/1065067012.db2.gz FTUWYKUWQWBVBJ-ZCYQVOJMSA-N 0 0 497.684 4.760 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(C)c1I ZINC001435926075 1065067041 /nfs/dbraw/zinc/06/70/41/1065067041.db2.gz UTJQHYAPYGMVFX-LBPRGKRZSA-N 0 0 459.711 4.919 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC001435925772 1065067157 /nfs/dbraw/zinc/06/71/57/1065067157.db2.gz RPSCWQMCENHOTN-CQSZACIVSA-N 0 0 458.898 4.776 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC001360178434 1065067299 /nfs/dbraw/zinc/06/72/99/1065067299.db2.gz UDSZCAVCQIBRKM-VXKWHMMOSA-N 0 0 450.623 4.689 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)c2cccs2)c1 ZINC001360178581 1065067331 /nfs/dbraw/zinc/06/73/31/1065067331.db2.gz VYBCXLFTCRYANY-QGZVFWFLSA-N 0 0 454.617 4.596 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC001360178433 1065067430 /nfs/dbraw/zinc/06/74/30/1065067430.db2.gz UDSZCAVCQIBRKM-FCHUYYIVSA-N 0 0 450.623 4.689 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCOc1ccc(F)c(F)c1 ZINC001360179874 1065067818 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461.676 4.877 20 0 JJADRN COc1ccc(S(C)(=O)=O)cc1COC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001435932628 1065069499 /nfs/dbraw/zinc/06/94/99/1065069499.db2.gz CCVGFLKLQPCZPZ-UHFFFAOYSA-N 0 0 456.482 4.673 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(OCC(F)(F)F)nc1 ZINC001435932209 1065069645 /nfs/dbraw/zinc/06/96/45/1065069645.db2.gz FAPQGFHGVLRGHH-KRWDZBQOSA-N 0 0 457.290 4.926 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)CCC1 ZINC001435932507 1065069684 /nfs/dbraw/zinc/06/96/84/1065069684.db2.gz HARWURRQLWQGGB-UHFFFAOYSA-N 0 0 455.580 4.639 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001435933191 1065070082 /nfs/dbraw/zinc/07/00/82/1065070082.db2.gz NSXIYQWKBVTBOS-QBUQCISBSA-N 0 0 450.844 4.754 20 0 JJADRN COc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)cnc1Br ZINC001435933440 1065070120 /nfs/dbraw/zinc/07/01/20/1065070120.db2.gz FTPZBHYLEBEWPD-INIZCTEOSA-N 0 0 452.352 4.908 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CCc1ccccc1C(F)(F)F ZINC001360183058 1065070083 /nfs/dbraw/zinc/07/00/83/1065070083.db2.gz NAUKTWGVXIUTLY-UHFFFAOYSA-N 0 0 477.556 4.908 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001360183220 1065070138 /nfs/dbraw/zinc/07/01/38/1065070138.db2.gz RABKALOJCQGMPQ-UHFFFAOYSA-N 0 0 455.603 4.764 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@@H]1CCSC1(C)C ZINC001360183191 1065070255 /nfs/dbraw/zinc/07/02/55/1065070255.db2.gz QLBLEIUJMXNWTK-KRWDZBQOSA-N 0 0 473.668 4.809 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001435933423 1065070319 /nfs/dbraw/zinc/07/03/19/1065070319.db2.gz FRDKQOCFWNWDGW-HSZRJFAPSA-N 0 0 459.933 4.783 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2ccccc2)n1C[C@H]1CCC(F)(F)C1 ZINC001360183485 1065070712 /nfs/dbraw/zinc/07/07/12/1065070712.db2.gz XEEAIYITPBHOBR-IBGZPJMESA-N 0 0 457.525 4.652 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CCc1nc(C(C)(C)C)cs1 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C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1C(F)(F)F ZINC001435940874 1065074066 /nfs/dbraw/zinc/07/40/66/1065074066.db2.gz LCQBIEAMATYCTD-VBKZILBWSA-N 0 0 454.439 4.785 20 0 JJADRN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001435940370 1065074097 /nfs/dbraw/zinc/07/40/97/1065074097.db2.gz ORNHYJJCHOJDBG-HNNXBMFYSA-N 0 0 455.407 4.686 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001360189995 1065074098 /nfs/dbraw/zinc/07/40/98/1065074098.db2.gz IIQFKMXSZSQVLR-MORSLUCNSA-N 0 0 459.999 4.514 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCSc2ccc(Br)cc21 ZINC001360190119 1065074204 /nfs/dbraw/zinc/07/42/04/1065074204.db2.gz LONASEGDROHFNG-APWZRJJASA-N 0 0 459.409 4.607 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001492597007 1065074389 /nfs/dbraw/zinc/07/43/89/1065074389.db2.gz QCELNLGGOQMKAS-INIZCTEOSA-N 0 0 462.520 4.710 20 0 JJADRN 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ZINC001360200039 1065078251 /nfs/dbraw/zinc/07/82/51/1065078251.db2.gz AQOXXGVHZJJSAS-UHFFFAOYSA-N 0 0 494.484 4.734 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCSc3ccc(C(=O)OCC)cc32)c1 ZINC001435952341 1065078369 /nfs/dbraw/zinc/07/83/69/1065078369.db2.gz WJNBGYNMOFVJTJ-UHFFFAOYSA-N 0 0 454.592 4.878 20 0 JJADRN C[C@H]1O[C@@H](C)Cc2c1sc(NC(=O)c1ccc(-n3cccn3)nc1)c2C(=O)OC(C)(C)C ZINC001435951119 1065078544 /nfs/dbraw/zinc/07/85/44/1065078544.db2.gz NHUYNNDJPBLPNH-UONOGXRCSA-N 0 0 454.552 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)C2(CCCCC2)C1 ZINC001360201750 1065078628 /nfs/dbraw/zinc/07/86/28/1065078628.db2.gz CYQJXFRNWDVDER-UHFFFAOYSA-N 0 0 458.599 4.561 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001435954282 1065079304 /nfs/dbraw/zinc/07/93/04/1065079304.db2.gz UQODXYJQSAGBCN-RTWAWAEBSA-N 0 0 457.412 4.586 20 0 JJADRN C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc2ncsc2c1 ZINC001435954697 1065079391 /nfs/dbraw/zinc/07/93/91/1065079391.db2.gz HPFGYBIZNWWFFX-XCLFUZPHSA-N 0 0 450.391 4.854 20 0 JJADRN C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc2ncsc2c1 ZINC001435954698 1065079436 /nfs/dbraw/zinc/07/94/36/1065079436.db2.gz HPFGYBIZNWWFFX-ZUOKHONESA-N 0 0 450.391 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)OCc1nc(-c2ccc(F)cc2)no1 ZINC001435954267 1065079458 /nfs/dbraw/zinc/07/94/58/1065079458.db2.gz UEYUMZPOEACFJF-IBGZPJMESA-N 0 0 453.470 4.801 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2F)cc1 ZINC001360207809 1065080871 /nfs/dbraw/zinc/08/08/71/1065080871.db2.gz OCAIHMYISUQORL-GFCCVEGCSA-N 0 0 459.324 4.660 20 0 JJADRN CCOC(=O)N1CC[C@@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001435957607 1065081266 /nfs/dbraw/zinc/08/12/66/1065081266.db2.gz OPEQMHKCFMDJBA-OAQYLSRUSA-N 0 0 453.970 4.623 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)cc2)c1 ZINC001360209485 1065081282 /nfs/dbraw/zinc/08/12/82/1065081282.db2.gz WCNHJQCNJQGHKA-UHFFFAOYSA-N 0 0 459.473 4.964 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccccc1OC1CCCC1 ZINC001360211902 1065081906 /nfs/dbraw/zinc/08/19/06/1065081906.db2.gz PGBUIYVEYCSETO-UHFFFAOYSA-N 0 0 483.657 4.570 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cncnc1-c1ccccc1 ZINC001435958547 1065082107 /nfs/dbraw/zinc/08/21/07/1065082107.db2.gz WULMUVULBYIIAV-FQEVSTJZSA-N 0 0 454.368 4.674 20 0 JJADRN CCOC(=O)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)C1 ZINC001435958720 1065082292 /nfs/dbraw/zinc/08/22/92/1065082292.db2.gz YHRLSDGBBBKQOX-HNNXBMFYSA-N 0 0 456.461 4.956 20 0 JJADRN COc1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(OCc2ccccc2)c1 ZINC001435958439 1065082340 /nfs/dbraw/zinc/08/23/40/1065082340.db2.gz VHMVPHAMFIQXLP-UHFFFAOYSA-N 0 0 453.560 4.638 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](OCCCc3ccccc3)C2)n1C1CC(C(C)(C)C)C1 ZINC001360212941 1065082906 /nfs/dbraw/zinc/08/29/06/1065082906.db2.gz KOIPDTPQVNDJLF-XPPIMPSXSA-N 0 0 467.658 4.642 20 0 JJADRN COc1ccc2c(c1)CCN(C(=O)Cc1c(C)nn(-c3ccc(Cl)cc3Cl)c1C)CC2 ZINC001435960370 1065083092 /nfs/dbraw/zinc/08/30/92/1065083092.db2.gz FMRUIIXSKCZKHY-UHFFFAOYSA-N 0 0 458.389 4.974 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1csc([C@H]2CCCO2)n1 ZINC001435960619 1065083403 /nfs/dbraw/zinc/08/34/03/1065083403.db2.gz MZFZNUWKTCUJIK-IEBWSBKVSA-N 0 0 458.381 4.866 20 0 JJADRN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCCc2c(Br)ccc(Cl)c21 ZINC001435960904 1065083620 /nfs/dbraw/zinc/08/36/20/1065083620.db2.gz NNJUXMWHCJSIMM-MRXNPFEDSA-N 0 0 455.686 4.853 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCOc2c(F)cccc21 ZINC001435961689 1065083958 /nfs/dbraw/zinc/08/39/58/1065083958.db2.gz SEQQENIMVFVCSR-PZJWPPBQSA-N 0 0 455.327 4.950 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214683 1065083955 /nfs/dbraw/zinc/08/39/55/1065083955.db2.gz QIDVQQPHDSRKJM-ROUUACIJSA-N 0 0 453.421 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC(C)(C)c1cccs1 ZINC001360216194 1065084170 /nfs/dbraw/zinc/08/41/70/1065084170.db2.gz JIVZHFFXWDKNKH-OAHLLOKOSA-N 0 0 473.593 4.858 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@H]1CCC[C@@H]1C ZINC001360216613 1065084212 /nfs/dbraw/zinc/08/42/12/1065084212.db2.gz RBUDIFCLVQTHOM-AZUAARDMSA-N 0 0 471.621 4.542 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cncc(I)c2)c1 ZINC001360216119 1065084287 /nfs/dbraw/zinc/08/42/87/1065084287.db2.gz BAUYGGWTCDFCOF-UHFFFAOYSA-N 0 0 452.239 4.901 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)c1Cl ZINC001435964605 1065084366 /nfs/dbraw/zinc/08/43/66/1065084366.db2.gz DXEXWQZADIMWGD-UHFFFAOYSA-N 0 0 457.354 4.555 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CC1(C)CCCC1 ZINC001360216713 1065084759 /nfs/dbraw/zinc/08/47/59/1065084759.db2.gz RYKLIAUQLGTZTG-UHFFFAOYSA-N 0 0 471.621 4.686 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001435966126 1065084923 /nfs/dbraw/zinc/08/49/23/1065084923.db2.gz NRCXBXVGMWEUND-AWEZNQCLSA-N 0 0 452.383 4.702 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360217887 1065085094 /nfs/dbraw/zinc/08/50/94/1065085094.db2.gz ATSGIDPJJQCXLV-KPLVRAHFSA-N 0 0 471.621 4.520 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)OCc3ccc(OCC(F)(F)F)nc3)c2C(F)(F)F)cc1 ZINC001435967669 1065085367 /nfs/dbraw/zinc/08/53/67/1065085367.db2.gz PLOJEBVCQVBBBP-UHFFFAOYSA-N 0 0 459.346 4.893 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)Oc2ccccc21 ZINC001360220233 1065085539 /nfs/dbraw/zinc/08/55/39/1065085539.db2.gz AWQNREONBUPEDL-XZOQPEGZSA-N 0 0 456.876 4.638 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)Oc2ccccc21 ZINC001360220231 1065085716 /nfs/dbraw/zinc/08/57/16/1065085716.db2.gz AWQNREONBUPEDL-GOTSBHOMSA-N 0 0 456.876 4.638 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001435967884 1065085766 /nfs/dbraw/zinc/08/57/66/1065085766.db2.gz XEMSFGBKSZYBCG-YOEHRIQHSA-N 0 0 451.514 4.540 20 0 JJADRN O=C(Nc1ccc(I)cn1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001360220497 1065086055 /nfs/dbraw/zinc/08/60/55/1065086055.db2.gz JQZLGEQBACCBPA-UHFFFAOYSA-N 0 0 455.299 4.501 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)c(F)c2)c1 ZINC001360220696 1065086100 /nfs/dbraw/zinc/08/61/00/1065086100.db2.gz PWXITIZWKBWPGF-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN Cc1c(CC(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)nnn1-c1ccccc1 ZINC001360220679 1065086188 /nfs/dbraw/zinc/08/61/88/1065086188.db2.gz PKWBPNTZFRHQNA-DEOSSOPVSA-N 0 0 452.892 4.956 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001492597164 1065086543 /nfs/dbraw/zinc/08/65/43/1065086543.db2.gz SXPKHBOQFZIXEN-WOJBJXKFSA-N 0 0 454.644 4.517 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001492597163 1065086568 /nfs/dbraw/zinc/08/65/68/1065086568.db2.gz SXPKHBOQFZIXEN-VQTJNVASSA-N 0 0 454.644 4.517 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCCOc1ccccc1 ZINC001360222527 1065087036 /nfs/dbraw/zinc/08/70/36/1065087036.db2.gz SUSSMDXVTHJIPF-HXUWFJFHSA-N 0 0 496.681 4.849 20 0 JJADRN COc1cc(N(C)C(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc(OC)c1OC ZINC001360225118 1065088064 /nfs/dbraw/zinc/08/80/64/1065088064.db2.gz NOJOFCGTCGXVGS-UHFFFAOYSA-N 0 0 458.514 4.712 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC001435974133 1065088187 /nfs/dbraw/zinc/08/81/87/1065088187.db2.gz QLZZCUUVTACZGG-HXUWFJFHSA-N 0 0 453.564 4.697 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Cl)cc1 ZINC001360225330 1065088525 /nfs/dbraw/zinc/08/85/25/1065088525.db2.gz QMEGISCCPHZUBT-KPGGICDASA-N 0 0 451.737 4.756 20 0 JJADRN Cc1nc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)nn1-c1ccccc1C(C)C ZINC001360225531 1065088655 /nfs/dbraw/zinc/08/86/55/1065088655.db2.gz WSUQBKAHRBHDFR-UHFFFAOYSA-N 0 0 454.596 4.665 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360226443 1065089196 /nfs/dbraw/zinc/08/91/96/1065089196.db2.gz BRVOSNWMGIFFHT-RDJZCZTQSA-N 0 0 469.577 4.799 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360226554 1065089526 /nfs/dbraw/zinc/08/95/26/1065089526.db2.gz CPYFMRDEZUAIAS-VXKWHMMOSA-N 0 0 453.631 4.549 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360227477 1065089715 /nfs/dbraw/zinc/08/97/15/1065089715.db2.gz NSZCMRJTHXAUPR-UHFFFAOYSA-N 0 0 481.975 4.880 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC001435977155 1065089675 /nfs/dbraw/zinc/08/96/75/1065089675.db2.gz USDOZKNDMPSGCQ-NHCUHLMSSA-N 0 0 458.396 4.989 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c1 ZINC001435977784 1065089722 /nfs/dbraw/zinc/08/97/22/1065089722.db2.gz UVCHQDHALRXUTM-AREMUKBSSA-N 0 0 454.636 4.877 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CCc1csc(C(C)C)n1 ZINC001360227600 1065089980 /nfs/dbraw/zinc/08/99/80/1065089980.db2.gz YFFLKQPOZMBTJF-HXUWFJFHSA-N 0 0 470.618 4.720 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001360227881 1065090183 /nfs/dbraw/zinc/09/01/83/1065090183.db2.gz PXDYKWXDVLINSD-DEOSSOPVSA-N 0 0 475.996 4.615 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@H]1OCc1ccccc1 ZINC001435978450 1065090185 /nfs/dbraw/zinc/09/01/85/1065090185.db2.gz PRMZQUAWWHMICW-RTWAWAEBSA-N 0 0 454.368 4.749 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001360227859 1065090627 /nfs/dbraw/zinc/09/06/27/1065090627.db2.gz ZITAVKHYTAYPCP-MRXNPFEDSA-N 0 0 479.528 4.608 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCOc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228652 1065091056 /nfs/dbraw/zinc/09/10/56/1065091056.db2.gz SKADJBYIFCLXDY-JIPXPUAJSA-N 0 0 450.623 4.776 20 0 JJADRN O=C(Oc1cccc(OC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435981452 1065091074 /nfs/dbraw/zinc/09/10/74/1065091074.db2.gz MHGQDWFYHIQKBZ-MRXNPFEDSA-N 0 0 458.230 4.558 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCOc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228654 1065091415 /nfs/dbraw/zinc/09/14/15/1065091415.db2.gz SKADJBYIFCLXDY-ZBLYBZFDSA-N 0 0 450.623 4.776 20 0 JJADRN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCCN1C(=O)CCC1=O ZINC001360229046 1065091451 /nfs/dbraw/zinc/09/14/51/1065091451.db2.gz FLIOOVAVAWUVCC-UHFFFAOYSA-N 0 0 450.514 4.599 20 0 JJADRN Cc1ccc([C@H]2CCC[C@@H]2OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001435982807 1065091536 /nfs/dbraw/zinc/09/15/36/1065091536.db2.gz KFHZLIJZMOBXRD-UXHICEINSA-N 0 0 451.382 4.552 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360231517 1065091858 /nfs/dbraw/zinc/09/18/58/1065091858.db2.gz LVUKHQUCIDBUMI-WZONZLPQSA-N 0 0 454.998 4.535 20 0 JJADRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(OC(F)F)cc1 ZINC001360232343 1065092308 /nfs/dbraw/zinc/09/23/08/1065092308.db2.gz FUTUBKSNXAPIBA-JKSUJKDBSA-N 0 0 453.507 4.627 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001435984484 1065092376 /nfs/dbraw/zinc/09/23/76/1065092376.db2.gz IHHORQNXHRQKLA-UHFFFAOYSA-N 0 0 457.368 4.936 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001435986130 1065093300 /nfs/dbraw/zinc/09/33/00/1065093300.db2.gz QOVXKAZNRJCIBY-SANMLTNESA-N 0 0 457.615 4.891 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435986286 1065093400 /nfs/dbraw/zinc/09/34/00/1065093400.db2.gz JTRUBRGVKAHVSX-WHZNHKCRSA-N 0 0 451.405 4.583 20 0 JJADRN O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1cncc(I)c1 ZINC001435986357 1065093433 /nfs/dbraw/zinc/09/34/33/1065093433.db2.gz NDUBPYIHLVPKTL-UHFFFAOYSA-N 0 0 457.136 4.697 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC001435986427 1065093882 /nfs/dbraw/zinc/09/38/82/1065093882.db2.gz SJGNDGBWFHXIHB-KRWDZBQOSA-N 0 0 457.061 4.976 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001360235421 1065094191 /nfs/dbraw/zinc/09/41/91/1065094191.db2.gz BDRXARMXIMYBCK-XLIONFOSSA-N 0 0 455.649 4.742 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001360235422 1065094267 /nfs/dbraw/zinc/09/42/67/1065094267.db2.gz BDRXARMXIMYBCK-YLJYHZDGSA-N 0 0 455.649 4.742 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001435987272 1065094713 /nfs/dbraw/zinc/09/47/13/1065094713.db2.gz PMXQURUNVJLKJK-UIOOFZCWSA-N 0 0 455.558 4.627 20 0 JJADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 ZINC001435987849 1065094767 /nfs/dbraw/zinc/09/47/67/1065094767.db2.gz ZGSYFLPWPCEGHC-AWEZNQCLSA-N 0 0 458.363 4.597 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nc1C ZINC001435988726 1065095063 /nfs/dbraw/zinc/09/50/63/1065095063.db2.gz PAIQWYAXDMNHMI-HXUWFJFHSA-N 0 0 453.539 4.721 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cn(Cc2cccs2)nn1 ZINC001435988676 1065095114 /nfs/dbraw/zinc/09/51/14/1065095114.db2.gz OTTXDQCJPXKCON-IBGZPJMESA-N 0 0 453.568 4.542 20 0 JJADRN Cc1ccc(SCc2cccc(C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2)c(C)c1 ZINC001435988097 1065095236 /nfs/dbraw/zinc/09/52/36/1065095236.db2.gz RYOPKAYNBDRKKA-LJQANCHMSA-N 0 0 450.526 4.736 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(I)cc2s1 ZINC001435988826 1065095306 /nfs/dbraw/zinc/09/53/06/1065095306.db2.gz VOLQQJKWVSXOTG-SECBINFHSA-N 0 0 458.708 4.960 20 0 JJADRN COCc1cc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)ccc1F ZINC001360238737 1065095235 /nfs/dbraw/zinc/09/52/35/1065095235.db2.gz BVDBFINLAURZQM-UHFFFAOYSA-N 0 0 459.521 4.823 20 0 JJADRN Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1nc3ccc(I)cc3s1)O2 ZINC001435989410 1065095689 /nfs/dbraw/zinc/09/56/89/1065095689.db2.gz WTJVXBMRMJAAJK-HNNXBMFYSA-N 0 0 450.301 4.542 20 0 JJADRN COc1c(Br)cccc1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC001360239851 1065095619 /nfs/dbraw/zinc/09/56/19/1065095619.db2.gz IFIWVOZUZSHPBG-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1cc(F)cc(Br)c1F ZINC001360240171 1065095692 /nfs/dbraw/zinc/09/56/92/1065095692.db2.gz QMXKRWCGPUUUFF-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001435990181 1065096059 /nfs/dbraw/zinc/09/60/59/1065096059.db2.gz YKEWBUITGPHVTJ-JQWIXIFHSA-N 0 0 456.255 4.921 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001435990187 1065096211 /nfs/dbraw/zinc/09/62/11/1065096211.db2.gz YKEWBUITGPHVTJ-ZYHUDNBSSA-N 0 0 456.255 4.921 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CCC[C@@H]2Cc2cccc(Cl)c2)c1 ZINC001435990701 1065096272 /nfs/dbraw/zinc/09/62/72/1065096272.db2.gz VYXBPMVZJLKIQV-IERDGZPVSA-N 0 0 453.963 4.734 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1C(F)(F)F ZINC001360243836 1065096795 /nfs/dbraw/zinc/09/67/95/1065096795.db2.gz WVSGXHZRZMIRSF-FZKQIMNGSA-N 0 0 456.411 4.722 20 0 JJADRN COc1cccc(C2(CNC(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)CCCC2)c1 ZINC001360245634 1065097239 /nfs/dbraw/zinc/09/72/39/1065097239.db2.gz PHZOWQHYNXCZNW-XMMPIXPASA-N 0 0 452.595 4.964 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1OC ZINC001360246177 1065097496 /nfs/dbraw/zinc/09/74/96/1065097496.db2.gz YONYGDJYKPJMOX-GOSISDBHSA-N 0 0 459.608 4.769 20 0 JJADRN C[C@H](CCc1cccn1C)NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001360247349 1065097725 /nfs/dbraw/zinc/09/77/25/1065097725.db2.gz WCKLBMRKTWHMGO-MRXNPFEDSA-N 0 0 454.368 4.791 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCC(C)(C)C ZINC001360249376 1065098120 /nfs/dbraw/zinc/09/81/20/1065098120.db2.gz GYBUCWUVGNXTFI-IBGZPJMESA-N 0 0 481.563 4.839 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360249494 1065098269 /nfs/dbraw/zinc/09/82/69/1065098269.db2.gz JICSESOIBDRQIZ-FXAWDEMLSA-N 0 0 496.002 4.863 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360249497 1065098732 /nfs/dbraw/zinc/09/87/32/1065098732.db2.gz JICSESOIBDRQIZ-YLJYHZDGSA-N 0 0 496.002 4.863 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CC1CCCCC1 ZINC001360249553 1065098798 /nfs/dbraw/zinc/09/87/98/1065098798.db2.gz KHWIKOSAURWAJD-FQEVSTJZSA-N 0 0 479.547 4.593 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CC1CCCCC1 ZINC001360249554 1065098806 /nfs/dbraw/zinc/09/88/06/1065098806.db2.gz KHWIKOSAURWAJD-HXUWFJFHSA-N 0 0 479.547 4.593 20 0 JJADRN COc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435996049 1065099320 /nfs/dbraw/zinc/09/93/20/1065099320.db2.gz ZOQYGDIMPAQGGY-UHFFFAOYSA-N 0 0 451.748 4.602 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cn1 ZINC001360252867 1065100366 /nfs/dbraw/zinc/10/03/66/1065100366.db2.gz OZZLTWUAUGFMHD-JGCGQSQUSA-N 0 0 450.560 4.738 20 0 JJADRN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(Cl)c2ccccc21 ZINC001435998856 1065100795 /nfs/dbraw/zinc/10/07/95/1065100795.db2.gz VNQAENIHGXIYJX-ZDUSSCGKSA-N 0 0 451.375 4.888 20 0 JJADRN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001436000535 1065101117 /nfs/dbraw/zinc/10/11/17/1065101117.db2.gz FMSUAORLDUXTJN-OAQYLSRUSA-N 0 0 459.290 4.759 20 0 JJADRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC001436000954 1065102115 /nfs/dbraw/zinc/10/21/15/1065102115.db2.gz KCUSAZQXIKVTJG-LBPRGKRZSA-N 0 0 457.354 4.724 20 0 JJADRN Cc1c(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)nnn1-c1ccc(OC(F)F)cc1 ZINC001360256301 1065102358 /nfs/dbraw/zinc/10/23/58/1065102358.db2.gz QMRXNNOXLJBBPW-UHFFFAOYSA-N 0 0 452.864 4.677 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001360255926 1065102421 /nfs/dbraw/zinc/10/24/21/1065102421.db2.gz DASCJVPNOKPKBD-VLIAUNLRSA-N 0 0 455.332 4.885 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1 ZINC001360255919 1065102452 /nfs/dbraw/zinc/10/24/52/1065102452.db2.gz CZQGHNBURPZMCW-YTTGMZPUSA-N 0 0 457.523 4.657 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1ccc(C)c(C)c1 ZINC001436002282 1065102752 /nfs/dbraw/zinc/10/27/52/1065102752.db2.gz YECLBIVDYAGYED-XMMPIXPASA-N 0 0 456.546 4.940 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1ccc(Cl)c2ccccc21 ZINC001436002706 1065102763 /nfs/dbraw/zinc/10/27/63/1065102763.db2.gz OMNNXWOWGLHBQS-GFCCVEGCSA-N 0 0 456.731 4.722 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001436001799 1065102827 /nfs/dbraw/zinc/10/28/27/1065102827.db2.gz LDCTUQKDPAKCQG-FQEVSTJZSA-N 0 0 452.498 4.514 20 0 JJADRN C[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c2ccccc21 ZINC001436002756 1065103391 /nfs/dbraw/zinc/10/33/91/1065103391.db2.gz OTADNBWKGGTJMZ-QGZVFWFLSA-N 0 0 456.995 4.843 20 0 JJADRN CCCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cn1 ZINC001436005175 1065104171 /nfs/dbraw/zinc/10/41/71/1065104171.db2.gz PNHCPBVAQSEFHE-UHFFFAOYSA-N 0 0 453.564 4.646 20 0 JJADRN Cc1ncsc1CN(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001360259140 1065104358 /nfs/dbraw/zinc/10/43/58/1065104358.db2.gz BJBOMFQSRDFUBY-UHFFFAOYSA-N 0 0 459.984 4.696 20 0 JJADRN COCCc1ccc(Oc2ccc(NC(=O)c3cc4nccc(C(F)(F)F)n4n3)cc2)cc1 ZINC001360259924 1065104366 /nfs/dbraw/zinc/10/43/66/1065104366.db2.gz QOHKWHSPNYOYSL-UHFFFAOYSA-N 0 0 456.424 4.982 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)c2ccccn2)cc1 ZINC001360260224 1065104990 /nfs/dbraw/zinc/10/49/90/1065104990.db2.gz YGZBCVJGCGMICO-HXUWFJFHSA-N 0 0 453.336 4.638 20 0 JJADRN Cc1cc(CNC(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)ccc1-c1ccccc1 ZINC001436006511 1065105042 /nfs/dbraw/zinc/10/50/42/1065105042.db2.gz UGKRFHCICYTDPQ-HXUWFJFHSA-N 0 0 452.595 4.988 20 0 JJADRN CCCN(C(=O)[C@H](OC)c1ccc(Br)s1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001436008838 1065106675 /nfs/dbraw/zinc/10/66/75/1065106675.db2.gz MWFWPAFHWIGCSN-AUUYWEPGSA-N 0 0 453.402 4.854 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccccn1 ZINC001436009196 1065106731 /nfs/dbraw/zinc/10/67/31/1065106731.db2.gz WDWZHFRKJIZLPM-LADGPHEKSA-N 0 0 456.514 4.788 20 0 JJADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360262832 1065107138 /nfs/dbraw/zinc/10/71/38/1065107138.db2.gz INCDYNXBSFIATK-UHFFFAOYSA-N 0 0 452.411 4.865 20 0 JJADRN CC(C)NC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001360262630 1065107242 /nfs/dbraw/zinc/10/72/42/1065107242.db2.gz HWPJIAFHDKQWPX-YWZLYKJASA-N 0 0 492.020 4.680 20 0 JJADRN CCCN(C(=O)c1csc(I)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001436010112 1065107186 /nfs/dbraw/zinc/10/71/86/1065107186.db2.gz UHQWJMLFRYRHPX-CYBMUJFWSA-N 0 0 456.349 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC001436011080 1065107904 /nfs/dbraw/zinc/10/79/04/1065107904.db2.gz XODAXCXUCIBPBM-GOSISDBHSA-N 0 0 458.521 4.712 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC001436010906 1065107951 /nfs/dbraw/zinc/10/79/51/1065107951.db2.gz BBVUWVKAELXEBZ-UHFFFAOYSA-N 0 0 459.775 4.877 20 0 JJADRN O=C(NCCc1cccc(OCC(F)(F)F)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001436010558 1065108013 /nfs/dbraw/zinc/10/80/13/1065108013.db2.gz SWKLTIBFDUGTBG-INIZCTEOSA-N 0 0 458.274 4.615 20 0 JJADRN O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001436011050 1065108017 /nfs/dbraw/zinc/10/80/17/1065108017.db2.gz CMSDZXXCAROCKU-LFIBNONCSA-N 0 0 453.517 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCc3cccc(OCC(F)(F)F)c3)CCCC[C@H]12 ZINC001436011150 1065108691 /nfs/dbraw/zinc/10/86/91/1065108691.db2.gz XWBAAZOLMVSHSJ-WMZHIEFXSA-N 0 0 470.532 4.856 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1cc(C(F)(F)F)ccc1Br ZINC001436013254 1065110056 /nfs/dbraw/zinc/11/00/56/1065110056.db2.gz QNYHGHINVGSSAO-INIZCTEOSA-N 0 0 457.246 4.990 20 0 JJADRN CC(C)n1cc([C@@H](C)NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cn1 ZINC001360267794 1065110759 /nfs/dbraw/zinc/11/07/59/1065110759.db2.gz GIHYOPZVFJBWHR-OAHLLOKOSA-N 0 0 455.356 4.970 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001360267563 1065110789 /nfs/dbraw/zinc/11/07/89/1065110789.db2.gz XDUCQNGIPOEEAA-UHFFFAOYSA-N 0 0 450.343 4.985 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(I)cc2Cl)nn1C1CCCCC1 ZINC001436013542 1065110815 /nfs/dbraw/zinc/11/08/15/1065110815.db2.gz JHMMDWCKUHHDRT-UHFFFAOYSA-N 0 0 457.743 4.885 20 0 JJADRN CC(C)NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360269098 1065111469 /nfs/dbraw/zinc/11/14/69/1065111469.db2.gz XJCONSBPVMGWQA-HNNXBMFYSA-N 0 0 486.608 4.641 20 0 JJADRN CC(C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001360268586 1065111577 /nfs/dbraw/zinc/11/15/77/1065111577.db2.gz HLSLQRBUCMNHAL-FQEVSTJZSA-N 0 0 458.031 4.840 20 0 JJADRN COc1ccc2oc(C)c(C(=O)NCc3ccc(I)cc3Cl)c2c1 ZINC001436014646 1065112834 /nfs/dbraw/zinc/11/28/34/1065112834.db2.gz WIKPMHLYEUDZBN-UHFFFAOYSA-N 0 0 455.679 4.938 20 0 JJADRN COC(=O)c1cccc(CC(=O)N(Cc2ccccc2Br)c2cncc(C)c2)c1 ZINC001436014425 1065112868 /nfs/dbraw/zinc/11/28/68/1065112868.db2.gz SYYUVSLCWWHDDS-UHFFFAOYSA-N 0 0 453.336 4.715 20 0 JJADRN COc1cccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c1OC1CCCC1 ZINC001360271521 1065113759 /nfs/dbraw/zinc/11/37/59/1065113759.db2.gz ULBBQAKUJRDXJS-SFTDATJTSA-N 0 0 458.599 4.811 20 0 JJADRN COc1cc(C)c(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC001360273597 1065114297 /nfs/dbraw/zinc/11/42/97/1065114297.db2.gz NDZKZGHISBODMN-UHFFFAOYSA-N 0 0 453.922 4.857 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)s1 ZINC001360274084 1065115127 /nfs/dbraw/zinc/11/51/27/1065115127.db2.gz KYSUJSCAOCIMFV-CQSZACIVSA-N 0 0 482.437 4.796 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C2CC2)CC1 ZINC001360274660 1065115155 /nfs/dbraw/zinc/11/51/55/1065115155.db2.gz OUVPKPPGQZYTBO-UHFFFAOYSA-N 0 0 480.838 4.512 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001360274835 1065115174 /nfs/dbraw/zinc/11/51/74/1065115174.db2.gz TWDMQTDIKUDJAG-INIZCTEOSA-N 0 0 472.367 4.648 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl)c1cnccn1 ZINC001360275244 1065115894 /nfs/dbraw/zinc/11/58/94/1065115894.db2.gz ADZTWWIOUZNVIK-UHFFFAOYSA-N 0 0 457.104 4.990 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC001436017560 1065115904 /nfs/dbraw/zinc/11/59/04/1065115904.db2.gz SFPGNSRLWWBENW-UHFFFAOYSA-N 0 0 452.979 4.774 20 0 JJADRN CCNC(=O)c1ccc(OC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC001360275518 1065116717 /nfs/dbraw/zinc/11/67/17/1065116717.db2.gz MYBYJPSAOHPIKI-UHFFFAOYSA-N 0 0 454.592 4.539 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC001436018881 1065116731 /nfs/dbraw/zinc/11/67/31/1065116731.db2.gz HDHJMMBHKSNEDE-LJQANCHMSA-N 0 0 452.986 4.579 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl)c1cnccn1 ZINC001360276131 1065117304 /nfs/dbraw/zinc/11/73/04/1065117304.db2.gz YQFSXQCQKHKMJD-IBGZPJMESA-N 0 0 456.333 4.643 20 0 JJADRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC001436019907 1065117413 /nfs/dbraw/zinc/11/74/13/1065117413.db2.gz PJHOIYNKSDGANN-AWEZNQCLSA-N 0 0 457.246 4.845 20 0 JJADRN CC(C)Oc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)nc1 ZINC001436020089 1065117420 /nfs/dbraw/zinc/11/74/20/1065117420.db2.gz AWIZWSSZPGAXLM-OAQYLSRUSA-N 0 0 459.974 4.956 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)c3ccc(I)cc3Cl)CC2)cc1 ZINC001360276921 1065118705 /nfs/dbraw/zinc/11/87/05/1065118705.db2.gz RSFMDYRAPRNQIM-UHFFFAOYSA-N 0 0 455.723 4.937 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Oc1cc(F)c(Cl)cc1Br ZINC001436021025 1065118836 /nfs/dbraw/zinc/11/88/36/1065118836.db2.gz ATTASCLBYTYXRV-UHFFFAOYSA-N 0 0 458.711 4.756 20 0 JJADRN Cc1cc(C2(C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)CCCCC2)ccc1Br ZINC001436021303 1065118874 /nfs/dbraw/zinc/11/88/74/1065118874.db2.gz IAPRHRZBGNYABH-QFIPXVFZSA-N 0 0 450.417 4.756 20 0 JJADRN CS[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001360278219 1065119518 /nfs/dbraw/zinc/11/95/18/1065119518.db2.gz HCHVJOMJLALTHY-RDJZCZTQSA-N 0 0 453.029 4.569 20 0 JJADRN Cn1cnc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3cccc(Cl)c3)ccc21 ZINC001436022677 1065119574 /nfs/dbraw/zinc/11/95/74/1065119574.db2.gz QDKIRCKTERDXLF-NRFANRHFSA-N 0 0 454.958 4.661 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)c2ccc(OC)cc2OC)cc1 ZINC001360278788 1065120166 /nfs/dbraw/zinc/12/01/66/1065120166.db2.gz QJCLQIHHHBLCBV-UGKGYDQZSA-N 0 0 454.548 4.540 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)c2ccc(OC)cc2OC)cc1 ZINC001360278781 1065120198 /nfs/dbraw/zinc/12/01/98/1065120198.db2.gz QJCLQIHHHBLCBV-DENIHFKCSA-N 0 0 454.548 4.540 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@H]3CSCN3C(=O)C(C)(C)C)nc21 ZINC001436023257 1065120248 /nfs/dbraw/zinc/12/02/48/1065120248.db2.gz SLSRSSORAIRSJE-GFCCVEGCSA-N 0 0 456.431 4.507 20 0 JJADRN O=C(NCCCNC(=O)c1cccc(F)c1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001360278916 1065120918 /nfs/dbraw/zinc/12/09/18/1065120918.db2.gz SCMJHPWAKOIFAS-UHFFFAOYSA-N 0 0 450.388 4.534 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)s1 ZINC001436023914 1065121019 /nfs/dbraw/zinc/12/10/19/1065121019.db2.gz UFRPZZNXUCWMFF-STQMWFEESA-N 0 0 453.402 4.905 20 0 JJADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001360279839 1065121533 /nfs/dbraw/zinc/12/15/33/1065121533.db2.gz FFBNSBZCTNNSNU-LJQANCHMSA-N 0 0 459.331 4.946 20 0 JJADRN O=C(Nc1ccc(OC(F)F)nc1)c1cc(I)cc(C(F)(F)F)c1 ZINC001436024988 1065121527 /nfs/dbraw/zinc/12/15/27/1065121527.db2.gz DJHPYUMSGKRFQZ-UHFFFAOYSA-N 0 0 458.124 4.559 20 0 JJADRN COc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC001360280506 1065122187 /nfs/dbraw/zinc/12/21/87/1065122187.db2.gz SLXYYVXFCHUMDZ-XMMPIXPASA-N 0 0 458.624 4.729 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)C(C)(C)C[C@@H]2C ZINC001436026674 1065122270 /nfs/dbraw/zinc/12/22/70/1065122270.db2.gz RVOSWVVORACTLG-KRWDZBQOSA-N 0 0 455.603 4.859 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001360281426 1065122315 /nfs/dbraw/zinc/12/23/15/1065122315.db2.gz FKZWXVCEAOSUHG-UHFFFAOYSA-N 0 0 452.231 4.955 20 0 JJADRN COC(=O)c1ccccc1CC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001436028253 1065123409 /nfs/dbraw/zinc/12/34/09/1065123409.db2.gz IWHOSJAZUKMFOI-UHFFFAOYSA-N 0 0 457.299 4.546 20 0 JJADRN Cc1ccc2c(c1)CC[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1)O2 ZINC001436028333 1065123501 /nfs/dbraw/zinc/12/35/01/1065123501.db2.gz DRVPEEZHTQSXDL-FYYLOGMGSA-N 0 0 454.542 4.648 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3ccc4sccc4c3)c2)cc1 ZINC001360284497 1065123521 /nfs/dbraw/zinc/12/35/21/1065123521.db2.gz BMUBPJJIGYWXOD-UHFFFAOYSA-N 0 0 452.557 4.641 20 0 JJADRN Cc1nc(C)c(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)s1 ZINC001436028403 1065124106 /nfs/dbraw/zinc/12/41/06/1065124106.db2.gz FLWKEIJGNWPHOL-SFHVURJKSA-N 0 0 450.004 4.776 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)NCc2cc(S(C)(=O)=O)ccc2F)c2ccccc2)c1 ZINC001436028514 1065124136 /nfs/dbraw/zinc/12/41/36/1065124136.db2.gz OUMZYPWLVUKTJX-DEOSSOPVSA-N 0 0 455.551 4.789 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c2cnn(Cc3cccs3)c2n1 ZINC001360284854 1065124183 /nfs/dbraw/zinc/12/41/83/1065124183.db2.gz NHOBIMQECZEGSM-PMERELPUSA-N 0 0 458.996 4.634 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H]1OCCc2ccccc21)NCC1CCCCC1 ZINC001360286549 1065124864 /nfs/dbraw/zinc/12/48/64/1065124864.db2.gz KLICXJDBZXXILE-HSZRJFAPSA-N 0 0 452.620 4.519 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)cc21 ZINC001360286178 1065124881 /nfs/dbraw/zinc/12/48/81/1065124881.db2.gz AOVWOWOLSWXFEL-QPPBQGQZSA-N 0 0 450.579 4.675 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001436029772 1065125470 /nfs/dbraw/zinc/12/54/70/1065125470.db2.gz UOLVDCCWJAZXAA-BHDDXSALSA-N 0 0 472.626 4.737 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(c2ccccc2)C1 ZINC001360287704 1065126166 /nfs/dbraw/zinc/12/61/66/1065126166.db2.gz VLMPKPUDPQCLFG-UHFFFAOYSA-N 0 0 486.439 4.587 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001360287501 1065126227 /nfs/dbraw/zinc/12/62/27/1065126227.db2.gz OINNKZNYXIXCHX-URLQWDBASA-N 0 0 494.865 4.901 20 0 JJADRN CCc1cccc2c1N(C(=O)C1CCN(C(=O)c3ccc(Br)cc3)CC1)CCC2 ZINC001360287918 1065126718 /nfs/dbraw/zinc/12/67/18/1065126718.db2.gz DOROVINHHGCPRY-UHFFFAOYSA-N 0 0 455.396 4.843 20 0 JJADRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC001360288254 1065126827 /nfs/dbraw/zinc/12/68/27/1065126827.db2.gz OWUWWNIQWAMBDT-UHFFFAOYSA-N 0 0 451.914 4.824 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1 ZINC001436030400 1065126730 /nfs/dbraw/zinc/12/67/30/1065126730.db2.gz USLMTIYDIYDYNS-WMZHIEFXSA-N 0 0 456.558 4.860 20 0 JJADRN CC[C@H](C)c1ncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)cn1 ZINC001436031047 1065127274 /nfs/dbraw/zinc/12/72/74/1065127274.db2.gz JBTSMADXQLEFMY-INIZCTEOSA-N 0 0 450.564 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@@H](c2ccccc2Cl)C1 ZINC001436031010 1065127303 /nfs/dbraw/zinc/12/73/03/1065127303.db2.gz ZYOGYTRATMCRPB-OAQYLSRUSA-N 0 0 456.970 4.638 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)[C@H](C)C1 ZINC001360292509 1065127468 /nfs/dbraw/zinc/12/74/68/1065127468.db2.gz XZFWEGQHUUEHKK-KNKQGSTJSA-N 0 0 450.608 4.879 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)Cc2cc(Br)cc(I)c2)[C@H](C)C1 ZINC001360291662 1065127499 /nfs/dbraw/zinc/12/74/99/1065127499.db2.gz PNVDDOFLOHSMNE-UEKVPHQBSA-N 0 0 450.158 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3ccc(OCc4ccccc4)cn3)C2)C1 ZINC001436031992 1065128039 /nfs/dbraw/zinc/12/80/39/1065128039.db2.gz CHMBPGFGYWEEEU-AREMUKBSSA-N 0 0 451.567 4.524 20 0 JJADRN CO[C@H](C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001436032960 1065129835 /nfs/dbraw/zinc/12/98/35/1065129835.db2.gz KXWCCCXKDPHAAY-PGRDOPGGSA-N 0 0 456.505 4.643 20 0 JJADRN CSc1ccc(CCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)cc1 ZINC001436032913 1065129900 /nfs/dbraw/zinc/12/99/00/1065129900.db2.gz JPYFAAYPLWCPLO-QFIPXVFZSA-N 0 0 455.624 4.947 20 0 JJADRN COC(=O)c1ccccc1CC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001360296427 1065130210 /nfs/dbraw/zinc/13/02/10/1065130210.db2.gz MUDJBEWRHWAIAJ-UHFFFAOYSA-N 0 0 458.301 4.609 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360296868 1065130220 /nfs/dbraw/zinc/13/02/20/1065130220.db2.gz DMKQYYHCSKFLMK-MRXNPFEDSA-N 0 0 457.290 4.675 20 0 JJADRN CC(C)c1cccc(O[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC001436033413 1065130517 /nfs/dbraw/zinc/13/05/17/1065130517.db2.gz MYZGIZAZDYXCDE-XXBNENTESA-N 0 0 453.583 4.793 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Br)c1 ZINC001360297330 1065130781 /nfs/dbraw/zinc/13/07/81/1065130781.db2.gz QNDIIUPIJBFQIQ-XJKSGUPXSA-N 0 0 457.290 4.846 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1-c1cnn(C)c1 ZINC001360297376 1065131602 /nfs/dbraw/zinc/13/16/02/1065131602.db2.gz SABNYAJORCEPBJ-UHFFFAOYSA-N 0 0 459.571 4.763 20 0 JJADRN O=C(CSc1nc2ccccc2s1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360297655 1065131626 /nfs/dbraw/zinc/13/16/26/1065131626.db2.gz YNUVLFHNJZMOLH-ZDUSSCGKSA-N 0 0 453.511 4.682 20 0 JJADRN O=C(c1cn(-c2ccccc2Br)nn1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001360299777 1065132298 /nfs/dbraw/zinc/13/22/98/1065132298.db2.gz SRHFUFXRIJOOFS-UHFFFAOYSA-N 0 0 459.775 4.778 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](Cc2ccccc2)c2cccs2)CC1=O ZINC001360299037 1065132388 /nfs/dbraw/zinc/13/23/88/1065132388.db2.gz ALVHGTDSVZEBEN-IEBWSBKVSA-N 0 0 454.979 4.863 20 0 JJADRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc(-c2cccs2)s1 ZINC001436037011 1065132910 /nfs/dbraw/zinc/13/29/10/1065132910.db2.gz GFWZOOZJMGXIKA-UHFFFAOYSA-N 0 0 450.383 4.723 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001360300029 1065133022 /nfs/dbraw/zinc/13/30/22/1065133022.db2.gz CEQARQKZBQLIBH-UKPGIYTDSA-N 0 0 452.601 4.689 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)cc2)n1 ZINC001360300105 1065133049 /nfs/dbraw/zinc/13/30/49/1065133049.db2.gz FFHKYOQJTJNBBP-UHFFFAOYSA-N 0 0 451.914 4.724 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)c2)cn1 ZINC001436038202 1065133547 /nfs/dbraw/zinc/13/35/47/1065133547.db2.gz HQQFOXPKVZXZJP-LCYFTJDESA-N 0 0 455.558 4.956 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001360300372 1065133527 /nfs/dbraw/zinc/13/35/27/1065133527.db2.gz MWKBUOYUEMUWLN-FZEVHQGJSA-N 0 0 452.963 4.639 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccco2)cc1 ZINC001360301986 1065134295 /nfs/dbraw/zinc/13/42/95/1065134295.db2.gz ODDAZARXRFXHMG-UHFFFAOYSA-N 0 0 479.972 4.801 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H]2C)cc1 ZINC001360301673 1065134321 /nfs/dbraw/zinc/13/43/21/1065134321.db2.gz DRYVAUJMMDAIOT-HNNXBMFYSA-N 0 0 486.418 4.603 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001360300745 1065134328 /nfs/dbraw/zinc/13/43/28/1065134328.db2.gz YNGGKUQCFGVLQX-VXGBXAGGSA-N 0 0 456.431 4.857 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC001360302321 1065134973 /nfs/dbraw/zinc/13/49/73/1065134973.db2.gz ABGLCRXMJRQOAV-KRWDZBQOSA-N 0 0 451.430 4.995 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC001360302750 1065135789 /nfs/dbraw/zinc/13/57/89/1065135789.db2.gz MHOMWMKTKXLUKG-JTHBVZDNSA-N 0 0 454.567 4.946 20 0 JJADRN CCC(CC)(NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1)C(N)=O ZINC001360303203 1065135837 /nfs/dbraw/zinc/13/58/37/1065135837.db2.gz WXAMYPYZEZVLHT-UHFFFAOYSA-N 0 0 456.384 4.690 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001360303332 1065136399 /nfs/dbraw/zinc/13/63/99/1065136399.db2.gz AETGDMWUPVZOFI-TZIWHRDSSA-N 0 0 455.551 4.631 20 0 JJADRN CCOc1cc(C(=O)N2CCc3ccccc3[C@@H]2CC)ccc1OCC(=O)N1CCCCC1 ZINC001360303956 1065137310 /nfs/dbraw/zinc/13/73/10/1065137310.db2.gz QVKAJFZETDTTKV-QHCPKHFHSA-N 0 0 450.579 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)C(C)(C)C1 ZINC001436042551 1065137247 /nfs/dbraw/zinc/13/72/47/1065137247.db2.gz CIXHPXRGUXHCLO-OAQYLSRUSA-N 0 0 451.567 4.704 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCC([C@H]4CCCO4)CC3)nnc2C(C)(C)C)cc1 ZINC001360304497 1065138039 /nfs/dbraw/zinc/13/80/39/1065138039.db2.gz LNODDWRNRUCQRV-JOCHJYFZSA-N 0 0 468.646 4.549 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1C ZINC001436045335 1065139910 /nfs/dbraw/zinc/13/99/10/1065139910.db2.gz HENQDPUYXOUHRO-UHFFFAOYSA-N 0 0 454.368 4.972 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCCC2)c(C)c1 ZINC001436046231 1065141171 /nfs/dbraw/zinc/14/11/71/1065141171.db2.gz WDAVJMKKSWIIHN-UHFFFAOYSA-N 0 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O=C(Cc1c(F)cccc1Cl)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308315 1065143846 /nfs/dbraw/zinc/14/38/46/1065143846.db2.gz JNAKMWVJZBYSBD-UHFFFAOYSA-N 0 0 453.869 4.912 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(F)c2ccncc12 ZINC001360308677 1065144590 /nfs/dbraw/zinc/14/45/90/1065144590.db2.gz PPUZOBYBJATIMK-UHFFFAOYSA-N 0 0 456.445 4.878 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001436052116 1065145985 /nfs/dbraw/zinc/14/59/85/1065145985.db2.gz CXIAFMVHQBGTJK-NRFANRHFSA-N 0 0 451.364 4.890 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436053813 1065147476 /nfs/dbraw/zinc/14/74/76/1065147476.db2.gz QMZVOXPJSYFZRU-KRWDZBQOSA-N 0 0 458.971 4.932 20 0 JJADRN CC(C)c1nc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)nn1-c1cccc(F)c1 ZINC001436054912 1065147999 /nfs/dbraw/zinc/14/79/99/1065147999.db2.gz DOXAPQIIQKNEGL-ZDUSSCGKSA-N 0 0 459.319 4.720 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001436056244 1065148652 /nfs/dbraw/zinc/14/86/52/1065148652.db2.gz PPVINRWBFZQRKX-OAHLLOKOSA-N 0 0 452.190 4.837 20 0 JJADRN Cc1cc(F)cc(C(=O)Nc2ccccc2C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001360313347 1065149237 /nfs/dbraw/zinc/14/92/37/1065149237.db2.gz MVELUIOBKGCWGK-UHFFFAOYSA-N 0 0 456.514 4.943 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC001436056430 1065149312 /nfs/dbraw/zinc/14/93/12/1065149312.db2.gz NHPABOYWZRXBAG-OAQYLSRUSA-N 0 0 453.336 4.773 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)CO1 ZINC001360317006 1065149878 /nfs/dbraw/zinc/14/98/78/1065149878.db2.gz CZXUFDYHHKQGFG-UAGQMJEPSA-N 0 0 450.881 4.884 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001436058923 1065150445 /nfs/dbraw/zinc/15/04/45/1065150445.db2.gz FKMYDVZGXGVWHZ-UHFFFAOYSA-N 0 0 456.892 4.669 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCCCc2ccc(Br)cc2F)CCN1C(=O)OC(C)(C)C ZINC001360317018 1065150531 /nfs/dbraw/zinc/15/05/31/1065150531.db2.gz DGACEROILXNFAU-SJLPKXTDSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1C(=O)N(C)C(C)C ZINC001436059193 1065150523 /nfs/dbraw/zinc/15/05/23/1065150523.db2.gz LAIARKPAFHWKQH-CQSZACIVSA-N 0 0 451.336 4.783 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC001436059847 1065151062 /nfs/dbraw/zinc/15/10/62/1065151062.db2.gz GEFQMYVMXHTYSM-KFWWJZLASA-N 0 0 450.352 4.729 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)Oc1ccc(NC(=O)C2CCCCC2)cc1 ZINC001360317792 1065151181 /nfs/dbraw/zinc/15/11/81/1065151181.db2.gz HNZKLSDLVZSLEN-UHFFFAOYSA-N 0 0 453.520 4.655 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)NCc1cc(Br)ccc1OC(F)F)C(C)(C)C ZINC001360318302 1065151962 /nfs/dbraw/zinc/15/19/62/1065151962.db2.gz KNZHFOPTYFNLHY-AWEZNQCLSA-N 0 0 450.320 4.671 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1Cl ZINC001360318244 1065152067 /nfs/dbraw/zinc/15/20/67/1065152067.db2.gz PTKWWXVQDOIICW-UHFFFAOYSA-N 0 0 450.059 4.637 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001360318832 1065152814 /nfs/dbraw/zinc/15/28/14/1065152814.db2.gz WVOYLLMCVDOPMZ-AWEZNQCLSA-N 0 0 454.375 4.864 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC001436062312 1065153510 /nfs/dbraw/zinc/15/35/10/1065153510.db2.gz KMMODWNXCHKHMQ-SFHVURJKSA-N 0 0 457.530 4.518 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[C@H]2CCO[C@H](C)C2)CCOC1 ZINC001360319378 1065153570 /nfs/dbraw/zinc/15/35/70/1065153570.db2.gz HCYCCULSJNGMHY-ZUVQJFRASA-N 0 0 456.631 4.721 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001436062183 1065153573 /nfs/dbraw/zinc/15/35/73/1065153573.db2.gz HZUSBZKRWDUYTG-LLVKDONJSA-N 0 0 454.342 4.885 20 0 JJADRN CC1(C)C[C@H](OC(=O)c2ccc3nnc(C(F)F)n3c2)c2cc(Br)ccc2O1 ZINC001436064793 1065155038 /nfs/dbraw/zinc/15/50/38/1065155038.db2.gz ONNQFNZTUZITMX-AWEZNQCLSA-N 0 0 452.255 4.889 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC(F)(F)Br)CCOC1 ZINC001360320058 1065155571 /nfs/dbraw/zinc/15/55/71/1065155571.db2.gz RDNDMWOPEDDNMH-HNAYVOBHSA-N 0 0 473.362 4.504 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)O[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC001436065199 1065155831 /nfs/dbraw/zinc/15/58/31/1065155831.db2.gz UUELRVBKFYFEMR-ZDUSSCGKSA-N 0 0 458.150 4.713 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N(CCc1ccccn1)Cc1ccncc1 ZINC001436067195 1065157304 /nfs/dbraw/zinc/15/73/04/1065157304.db2.gz YRSBACJLEHGWKW-UHFFFAOYSA-N 0 0 454.368 4.670 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360321015 1065157990 /nfs/dbraw/zinc/15/79/90/1065157990.db2.gz ISPWSMPTSIVEJO-CLOONOSVSA-N 0 0 460.594 4.694 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Oc2cccc(C)c2Cl)cc1 ZINC001436069006 1065158229 /nfs/dbraw/zinc/15/82/29/1065158229.db2.gz WPUMZAGFTVBPTI-NRFANRHFSA-N 0 0 455.963 4.678 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)C2CCN(C(=O)N(C)C)CC2)cc1C ZINC001360321307 1065158585 /nfs/dbraw/zinc/15/85/85/1065158585.db2.gz IUFCSPFOTCEPFA-UHFFFAOYSA-N 0 0 451.611 4.543 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc4ccccc4o3)n2CC(F)(F)Br)CCOC1 ZINC001360321319 1065158624 /nfs/dbraw/zinc/15/86/24/1065158624.db2.gz KUBHPBXVFQKJBD-HXUWFJFHSA-N 0 0 499.356 4.689 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2ccc(Cl)nc2)CCOC1 ZINC001360321031 1065158752 /nfs/dbraw/zinc/15/87/52/1065158752.db2.gz IXEWQLUXCBAKDR-QHCPKHFHSA-N 0 0 494.398 4.844 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436070101 1065158901 /nfs/dbraw/zinc/15/89/01/1065158901.db2.gz PPGABNMLWWAGCR-OPAMFIHVSA-N 0 0 458.967 4.740 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC2=CCCCC2)CCOC1 ZINC001360321518 1065159306 /nfs/dbraw/zinc/15/93/06/1065159306.db2.gz MBNMEJZPAAZARI-RUZDIDTESA-N 0 0 488.032 4.547 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2C[C@H]2SCCc3ccccc32)CCOC1 ZINC001360321720 1065159367 /nfs/dbraw/zinc/15/93/67/1065159367.db2.gz NOYGGCJMBJHKTF-BWKNWUBXSA-N 0 0 458.672 4.832 20 0 JJADRN Cc1ccc(F)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1Br ZINC001436070495 1065159680 /nfs/dbraw/zinc/15/96/80/1065159680.db2.gz SLYRUNDMVQMAMZ-UHFFFAOYSA-N 0 0 457.255 4.538 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cnn(-c3ccccc3OC)c2C)cc1OC ZINC001360322647 1065160015 /nfs/dbraw/zinc/16/00/15/1065160015.db2.gz BSKBPLJCAMENJP-UHFFFAOYSA-N 0 0 451.567 4.547 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2cccc(NC(=O)C3CCCC3)c2)CCOC1 ZINC001360322424 1065160080 /nfs/dbraw/zinc/16/00/80/1065160080.db2.gz XBMZQRODWKUPLV-MUUNZHRXSA-N 0 0 497.684 4.978 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1I ZINC001436071251 1065160320 /nfs/dbraw/zinc/16/03/20/1065160320.db2.gz ZHZHJGUYZOJQTC-JTQLQIEISA-N 0 0 450.103 4.682 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccco3)n2CCc2ccc(Br)s2)CCOC1 ZINC001360323439 1065160723 /nfs/dbraw/zinc/16/07/23/1065160723.db2.gz DAIXPUUXYBMVNK-NRFANRHFSA-N 0 0 495.443 4.615 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCC2CC2)CCOC1 ZINC001360323457 1065160800 /nfs/dbraw/zinc/16/08/00/1065160800.db2.gz DFBVQKDADGBCIA-JOCHJYFZSA-N 0 0 452.521 4.774 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360323346 1065160816 /nfs/dbraw/zinc/16/08/16/1065160816.db2.gz BBLCFQBIIOOZAF-QFIPXVFZSA-N 0 0 464.994 4.857 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)/C(C)=C\c1ccc(C)cc1 ZINC001436072297 1065160929 /nfs/dbraw/zinc/16/09/29/1065160929.db2.gz FUNREYMDWDLYBH-JYRVWZFOSA-N 0 0 455.723 4.981 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C ZINC001436072309 1065161003 /nfs/dbraw/zinc/16/10/03/1065161003.db2.gz RHFVPAWUZKJNKZ-IBGZPJMESA-N 0 0 456.530 4.804 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCCc1ccc(Br)cc1 ZINC001436072667 1065161548 /nfs/dbraw/zinc/16/15/48/1065161548.db2.gz TYUGVPFVAUDCHL-IBGZPJMESA-N 0 0 452.776 4.716 20 0 JJADRN O=C(Nc1cc(F)c(Br)cc1Cl)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001436072575 1065161663 /nfs/dbraw/zinc/16/16/63/1065161663.db2.gz CTLKEIOHBQABRZ-GFCCVEGCSA-N 0 0 457.702 4.872 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CCCS2)CCOC1 ZINC001360324315 1065162796 /nfs/dbraw/zinc/16/27/96/1065162796.db2.gz NNHHSRUUZGZHHU-SIKLNZKXSA-N 0 0 495.487 4.613 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2Cc2ccncc2Cl)CCOC1 ZINC001360324530 1065164261 /nfs/dbraw/zinc/16/42/61/1065164261.db2.gz PSEXXIYIKHCMMU-QHCPKHFHSA-N 0 0 476.408 4.705 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360324636 1065164279 /nfs/dbraw/zinc/16/42/79/1065164279.db2.gz QQLQFVZMISQIOE-VAXXYWNWSA-N 0 0 496.574 4.789 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001436075936 1065164432 /nfs/dbraw/zinc/16/44/32/1065164432.db2.gz ARJKLOBTVHCWPF-JOCHJYFZSA-N 0 0 454.542 4.556 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@H](c1ccccc1F)N1CCOCC1 ZINC001436076522 1065164507 /nfs/dbraw/zinc/16/45/07/1065164507.db2.gz WGVXIZCHFGSCRH-NRFANRHFSA-N 0 0 451.369 4.744 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nc(Br)sc1C1CC1)C1CCCC1 ZINC001436076004 1065164521 /nfs/dbraw/zinc/16/45/21/1065164521.db2.gz CKWQTJCWUNRQLK-CYBMUJFWSA-N 0 0 458.422 4.596 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CCSC2)CCOC1 ZINC001360324797 1065164956 /nfs/dbraw/zinc/16/49/56/1065164956.db2.gz SAEIKCRPTVYLLL-AVRDEDQJSA-N 0 0 484.588 4.727 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2[C@@H]2C[C@H]2CF)CCOC1 ZINC001360324867 1065165702 /nfs/dbraw/zinc/16/57/02/1065165702.db2.gz UGBYTYJBIDOOON-CDXJDZJCSA-N 0 0 456.484 4.504 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H]2CCSC2(C)C)CCOC1 ZINC001360325204 1065166261 /nfs/dbraw/zinc/16/62/61/1065166261.db2.gz ZZAXVHSNNBILIW-JTSKRJEESA-N 0 0 450.674 4.548 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)C3)n2Cc2ccccc2C(F)(F)F)CCOC1 ZINC001360325260 1065166937 /nfs/dbraw/zinc/16/69/37/1065166937.db2.gz ARMFOXVRSIUCIG-QRFVXNFXSA-N 0 0 470.511 4.570 20 0 JJADRN CC(C)c1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc2n1 ZINC001436081406 1065167590 /nfs/dbraw/zinc/16/75/90/1065167590.db2.gz BEMVRFAFBOJQBL-FQEVSTJZSA-N 0 0 452.352 4.656 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCC3)n2CCc2cc(Br)ccc2F)CCOC1 ZINC001360325874 1065168074 /nfs/dbraw/zinc/16/80/74/1065168074.db2.gz NWIJXWDMXDDYOK-QHCPKHFHSA-N 0 0 495.437 4.699 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCC3)n2CCc2cc(Br)ccc2F)CCOC1 ZINC001360325873 1065168082 /nfs/dbraw/zinc/16/80/82/1065168082.db2.gz NWIJXWDMXDDYOK-HSZRJFAPSA-N 0 0 495.437 4.699 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2CCCc2ccccc2F)CCOC1 ZINC001360326288 1065168751 /nfs/dbraw/zinc/16/87/51/1065168751.db2.gz VXZVONYHSZYFCU-LVXARBLLSA-N 0 0 456.606 4.883 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NC[C@@H]1CCC(F)(F)C1 ZINC001436083034 1065168880 /nfs/dbraw/zinc/16/88/80/1065168880.db2.gz XVMLNRDELYUTTH-OAHLLOKOSA-N 0 0 451.311 4.796 20 0 JJADRN Cc1cccc2c1CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001360326542 1065169320 /nfs/dbraw/zinc/16/93/20/1065169320.db2.gz BNHOIXOPXBIJNH-UHFFFAOYSA-N 0 0 454.636 4.673 20 0 JJADRN COc1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)ccc1OCc1cscn1 ZINC001360326761 1065169343 /nfs/dbraw/zinc/16/93/43/1065169343.db2.gz IYYLJCAZWNPWBN-UHFFFAOYSA-N 0 0 452.576 4.800 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccc(-c2ccccc2)s1 ZINC001360326628 1065169433 /nfs/dbraw/zinc/16/94/33/1065169433.db2.gz DXIFZOTWFAMYIR-UHFFFAOYSA-N 0 0 457.393 4.956 20 0 JJADRN COc1ccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC001436084272 1065169554 /nfs/dbraw/zinc/16/95/54/1065169554.db2.gz VJHGIVKBIPARSP-FQEVSTJZSA-N 0 0 456.608 4.706 20 0 JJADRN COc1ccc(S[C@H](C)C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001436084122 1065169662 /nfs/dbraw/zinc/16/96/62/1065169662.db2.gz RVRVWSYVAMROFJ-OAHLLOKOSA-N 0 0 455.498 4.897 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC001436084701 1065170199 /nfs/dbraw/zinc/17/01/99/1065170199.db2.gz GOZZQWHHBLOISH-UHFFFAOYSA-N 0 0 452.532 4.708 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCCc3ccccc3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001360328215 1065170733 /nfs/dbraw/zinc/17/07/33/1065170733.db2.gz BMMXFYLELMDSNF-WIOPSUGQSA-N 0 0 458.672 4.531 20 0 JJADRN CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(C(F)(F)F)nn1 ZINC001436086224 1065170938 /nfs/dbraw/zinc/17/09/38/1065170938.db2.gz BVHDTMRXWMQVEA-UHFFFAOYSA-N 0 0 456.218 4.707 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2Cc2ccsc2Br)CCOC1 ZINC001360328352 1065171267 /nfs/dbraw/zinc/17/12/67/1065171267.db2.gz DODBZBKOWBMCFH-KRWDZBQOSA-N 0 0 497.381 4.580 20 0 JJADRN O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cccnc1Oc1cccc(Br)c1 ZINC001436087166 1065171454 /nfs/dbraw/zinc/17/14/54/1065171454.db2.gz DMNCRUDSFFBWNH-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc3c(c2)OCO3)c(Br)c1 ZINC001436087598 1065171491 /nfs/dbraw/zinc/17/14/91/1065171491.db2.gz KOPLGRSROWZBDL-WMHRWZGDSA-N 0 0 458.352 4.707 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(-n3cccn3)c2)c(Br)c1 ZINC001436087599 1065171515 /nfs/dbraw/zinc/17/15/15/1065171515.db2.gz KPOARXFGTAYZCG-NRFANRHFSA-N 0 0 454.368 4.765 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cccc(Br)c2I)[C@H]1C ZINC001436087851 1065171596 /nfs/dbraw/zinc/17/15/96/1065171596.db2.gz UOHHCMGLWOPONZ-GRYCIOLGSA-N 0 0 450.158 4.856 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3cccs3)C(C)C)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360329642 1065172209 /nfs/dbraw/zinc/17/22/09/1065172209.db2.gz BFJPFESBKOAENK-LOSJGSFVSA-N 0 0 476.687 4.736 20 0 JJADRN CCCN(C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)[C@H](C)C(=O)Nc1ccccc1C ZINC001436089744 1065172803 /nfs/dbraw/zinc/17/28/03/1065172803.db2.gz VPEUCRPDWKYJDY-OAHLLOKOSA-N 0 0 455.509 4.732 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)CCOC1 ZINC001360329669 1065173056 /nfs/dbraw/zinc/17/30/56/1065173056.db2.gz BKYWWZPHQDXXNU-ZEQRLZLVSA-N 0 0 495.089 4.773 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360330259 1065174431 /nfs/dbraw/zinc/17/44/31/1065174431.db2.gz IWTZEXZMZJOCNJ-YYDVJCTNSA-N 0 0 470.605 4.538 20 0 JJADRN Cc1cc(CNC(=O)[C@@H](C)c2cccc(Br)c2)ccc1I ZINC001436092210 1065174789 /nfs/dbraw/zinc/17/47/89/1065174789.db2.gz YCCAWROCKWEAHW-LBPRGKRZSA-N 0 0 458.137 4.782 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)C1 ZINC001436092280 1065174896 /nfs/dbraw/zinc/17/48/96/1065174896.db2.gz HQSQENRIENQPFM-QGZVFWFLSA-N 0 0 454.939 4.600 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc(-c2ccc(Br)o2)ncn1)C1CCCC1 ZINC001436093338 1065175465 /nfs/dbraw/zinc/17/54/65/1065175465.db2.gz SZCPVPIGFMCVNY-QGZVFWFLSA-N 0 0 450.333 4.586 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC001436093156 1065175695 /nfs/dbraw/zinc/17/56/95/1065175695.db2.gz SAOMCONGENSNGN-SFHVURJKSA-N 0 0 450.507 4.604 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)Nc1cc(-c2ccc(Br)o2)ncn1 ZINC001436092890 1065175701 /nfs/dbraw/zinc/17/57/01/1065175701.db2.gz PQWMQLDPWIHJCH-UHFFFAOYSA-N 0 0 458.190 4.659 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CCOC1 ZINC001360331660 1065176264 /nfs/dbraw/zinc/17/62/64/1065176264.db2.gz YADQHUNOQSDOSC-VWLOTQADSA-N 0 0 480.600 4.730 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CCOC1 ZINC001360331659 1065176351 /nfs/dbraw/zinc/17/63/51/1065176351.db2.gz YADQHUNOQSDOSC-RUZDIDTESA-N 0 0 480.600 4.730 20 0 JJADRN COC(=O)c1ccc(C)c(COC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001436094898 1065176396 /nfs/dbraw/zinc/17/63/96/1065176396.db2.gz XRQLDRJFQZMDSM-UHFFFAOYSA-N 0 0 455.557 4.931 20 0 JJADRN Cc1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1C(=O)N1CCCCC1 ZINC001436093611 1065176407 /nfs/dbraw/zinc/17/64/07/1065176407.db2.gz ZFTBHCBVZZZMBI-UHFFFAOYSA-N 0 0 452.942 4.896 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360331533 1065176379 /nfs/dbraw/zinc/17/63/79/1065176379.db2.gz WBOXLDNTHUGWES-MBSDFSHPSA-N 0 0 499.002 4.923 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccc(Br)o3)ncn2)c(Cl)c1 ZINC001436093921 1065176432 /nfs/dbraw/zinc/17/64/32/1065176432.db2.gz ZUMTXHOGCQSNAT-UHFFFAOYSA-N 0 0 451.664 4.583 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001360332109 1065176834 /nfs/dbraw/zinc/17/68/34/1065176834.db2.gz KXZJMOOGGLRRKQ-FGZHOGPDSA-N 0 0 456.608 4.988 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1C ZINC001436095627 1065177068 /nfs/dbraw/zinc/17/70/68/1065177068.db2.gz HIGAIJHGXYNOPD-ZDUSSCGKSA-N 0 0 458.274 4.914 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001360333084 1065178078 /nfs/dbraw/zinc/17/80/78/1065178078.db2.gz FAGVHQGCKKRALH-SFHVURJKSA-N 0 0 450.560 4.537 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccc(Cl)nc3s2)c1Cl ZINC001436098407 1065178230 /nfs/dbraw/zinc/17/82/30/1065178230.db2.gz AGMQBLCDZZULLT-UHFFFAOYSA-N 0 0 450.756 4.697 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3Cc4ccccc4[C@@H]3C)n2CCSC(F)(F)F)CCOC1 ZINC001360333380 1065178806 /nfs/dbraw/zinc/17/88/06/1065178806.db2.gz IARHEVMILCFGEE-YWZLYKJASA-N 0 0 456.534 4.653 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)ccc1F ZINC001360333440 1065178901 /nfs/dbraw/zinc/17/89/01/1065178901.db2.gz JRCKODBKASFEEH-ZRDIBKRKSA-N 0 0 459.568 4.735 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2c(F)cc(F)c(F)c2F)CCOC1 ZINC001360333853 1065179417 /nfs/dbraw/zinc/17/94/17/1065179417.db2.gz LKUXTLVZJAYRRN-IZHWHUGBSA-N 0 0 484.538 4.796 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001436100095 1065179831 /nfs/dbraw/zinc/17/98/31/1065179831.db2.gz NLTSXPVJXWZTND-UHFFFAOYSA-N 0 0 458.386 4.911 20 0 JJADRN O=C(Nc1nc2ccc(Cl)nc2s1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001436100322 1065180011 /nfs/dbraw/zinc/18/00/11/1065180011.db2.gz MHICEXYZKCLYBC-UHFFFAOYSA-N 0 0 452.696 4.684 20 0 JJADRN O=C(CCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1)NC(c1ccccc1)c1ccccc1 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Cc1cc(C)c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1Br ZINC001436125136 1065199324 /nfs/dbraw/zinc/19/93/24/1065199324.db2.gz YTVXYGIRZXUBLW-LJQANCHMSA-N 0 0 459.384 4.845 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001360351883 1065199328 /nfs/dbraw/zinc/19/93/28/1065199328.db2.gz WBCGQZHRLOKQIM-SEYXRHQNSA-N 0 0 452.576 4.999 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCSC(C)(C)C3)n2Cc2cccc(C(C)(F)F)c2)CCOC1 ZINC001360352498 1065199971 /nfs/dbraw/zinc/19/99/71/1065199971.db2.gz RUIOIRNZYUKZJF-XMMPIXPASA-N 0 0 480.625 4.811 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2cccc(C(C)(F)F)c2)CCOC1 ZINC001360352436 1065200091 /nfs/dbraw/zinc/20/00/91/1065200091.db2.gz QIQGVLVBQRFJGL-LLJLJFOGSA-N 0 0 480.625 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1Cc1ccoc1 ZINC001545895654 1065200698 /nfs/dbraw/zinc/20/06/98/1065200698.db2.gz BEYBVUIWVAAJKU-OAHLLOKOSA-N 0 0 496.559 4.697 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2nc1C ZINC001360353246 1065201058 /nfs/dbraw/zinc/20/10/58/1065201058.db2.gz IDZQMXWCTSNYKI-UHFFFAOYSA-N 0 0 458.896 4.669 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccco2)cc1 ZINC001360354018 1065201120 /nfs/dbraw/zinc/20/11/20/1065201120.db2.gz BGWCHZOWRDEWCZ-GOSISDBHSA-N 0 0 460.538 4.551 20 0 JJADRN COCCc1ccc(OCCCC(=O)N[C@H]2CSc3ccc(Br)cc32)cc1 ZINC001436127746 1065201275 /nfs/dbraw/zinc/20/12/75/1065201275.db2.gz BGCYGIZRRDGUAC-IBGZPJMESA-N 0 0 450.398 4.760 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCOC(C)(C)[C@H]2C)cn1 ZINC001360354083 1065201755 /nfs/dbraw/zinc/20/17/55/1065201755.db2.gz CYUMJVDHGXRRND-QGZVFWFLSA-N 0 0 455.990 4.833 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1 ZINC001436128769 1065201923 /nfs/dbraw/zinc/20/19/23/1065201923.db2.gz SLZDVOITUBKSLL-SFHVURJKSA-N 0 0 456.608 4.968 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1 ZINC001436128768 1065201936 /nfs/dbraw/zinc/20/19/36/1065201936.db2.gz SLZDVOITUBKSLL-GOSISDBHSA-N 0 0 456.608 4.968 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC001360354198 1065202226 /nfs/dbraw/zinc/20/22/26/1065202226.db2.gz HIDDRQRAOXQFTO-RTBURBONSA-N 0 0 483.588 4.791 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncc(Cl)cc3Cl)CC2)cn1 ZINC001360354187 1065202249 /nfs/dbraw/zinc/20/22/49/1065202249.db2.gz HDCFAYMNYNXABO-UHFFFAOYSA-N 0 0 490.439 4.660 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc2c(cc1Br)OCO2 ZINC001436129664 1065202672 /nfs/dbraw/zinc/20/26/72/1065202672.db2.gz VLEFFUSCFUBSRW-GFCCVEGCSA-N 0 0 457.143 4.517 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001360354234 1065202602 /nfs/dbraw/zinc/20/26/02/1065202602.db2.gz IJPWFFOOPUVSQW-CVDCTZTESA-N 0 0 492.624 4.525 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN(C)c2ccccc2)cn1 ZINC001360354402 1065202668 /nfs/dbraw/zinc/20/26/68/1065202668.db2.gz NSGZYPMQEUXEIV-UHFFFAOYSA-N 0 0 492.027 4.797 20 0 JJADRN COC(=O)c1cc(C(=O)OCc2ccc(OC(F)(F)F)cc2Cl)n(-c2ccccc2)n1 ZINC001436130253 1065203147 /nfs/dbraw/zinc/20/31/47/1065203147.db2.gz RUJSJTKPBWMGNC-UHFFFAOYSA-N 0 0 454.788 4.568 20 0 JJADRN CN(C(=O)c1c(F)c(Br)ccc1I)[C@@H]1CCC(C)(C)C1 ZINC001436130323 1065203206 /nfs/dbraw/zinc/20/32/06/1065203206.db2.gz NEUZAUILCCYYLU-SECBINFHSA-N 0 0 454.121 4.844 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC001360354495 1065203311 /nfs/dbraw/zinc/20/33/11/1065203311.db2.gz QNKYADYOSGRRRI-IAGOWNOFSA-N 0 0 486.414 4.552 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(Cc2cccs2)C[C@H]2CCCO2)cn1 ZINC001360354888 1065204362 /nfs/dbraw/zinc/20/43/62/1065204362.db2.gz ZBVFCBOUOLWYDE-HXUWFJFHSA-N 0 0 455.628 4.879 20 0 JJADRN CCn1c(SCC(=O)N(CCC(F)(F)F)CC(F)(F)F)nnc1-c1cccc(C)c1 ZINC001436132360 1065204396 /nfs/dbraw/zinc/20/43/96/1065204396.db2.gz BSCNOXOVTBBSHP-UHFFFAOYSA-N 0 0 454.440 4.709 20 0 JJADRN CO[C@@H]1CCC[C@@H](C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)C1 ZINC001436131619 1065204462 /nfs/dbraw/zinc/20/44/62/1065204462.db2.gz KHFOJSQUULVJDW-POAQFYNOSA-N 0 0 456.446 4.757 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@H]2CSc3ccc(Br)cc32)c1 ZINC001436131336 1065204488 /nfs/dbraw/zinc/20/44/88/1065204488.db2.gz QSYHXWXJBVUPNX-HNNXBMFYSA-N 0 0 457.187 4.726 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC001436132826 1065204699 /nfs/dbraw/zinc/20/46/99/1065204699.db2.gz WPRPANXKUATZJS-BONVTDFDSA-N 0 0 457.187 4.942 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CSc2ccc(C(C)C)cc2)c1 ZINC001360355287 1065204806 /nfs/dbraw/zinc/20/48/06/1065204806.db2.gz QSIIISYRSVDEQA-QFIPXVFZSA-N 0 0 454.592 4.709 20 0 JJADRN O=C(c1cccnc1Cl)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001436133006 1065205301 /nfs/dbraw/zinc/20/53/01/1065205301.db2.gz VAFCZNXLFZERMO-MRXNPFEDSA-N 0 0 455.805 4.914 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001360355758 1065205294 /nfs/dbraw/zinc/20/52/94/1065205294.db2.gz FBJAJUCMKCZVRK-NQIIRXRSSA-N 0 0 484.645 4.516 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001436133949 1065206018 /nfs/dbraw/zinc/20/60/18/1065206018.db2.gz DTTKSLXXNHGMFR-QHCPKHFHSA-N 0 0 458.537 4.841 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001436135295 1065206328 /nfs/dbraw/zinc/20/63/28/1065206328.db2.gz AJHGVSVNFRNFGX-UHFFFAOYSA-N 0 0 455.327 4.894 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001360356232 1065206431 /nfs/dbraw/zinc/20/64/31/1065206431.db2.gz RIITXTMYFJCEGP-GBXCKJPGSA-N 0 0 479.625 4.913 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)n1 ZINC001436135868 1065206950 /nfs/dbraw/zinc/20/69/50/1065206950.db2.gz BHDDDYCDFYPXIW-UHFFFAOYSA-N 0 0 450.486 4.591 20 0 JJADRN COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1S(C)(=O)=O ZINC001436135669 1065207055 /nfs/dbraw/zinc/20/70/55/1065207055.db2.gz AHBCXSHQXFIWCX-GOSISDBHSA-N 0 0 455.498 4.875 20 0 JJADRN O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2cccc(Br)c2)no1 ZINC001436136146 1065207082 /nfs/dbraw/zinc/20/70/82/1065207082.db2.gz BLPCDAVOLHWWOM-UHFFFAOYSA-N 0 0 452.761 4.702 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)cn1 ZINC001360356941 1065207126 /nfs/dbraw/zinc/20/71/26/1065207126.db2.gz ALKXQGHXPYFCJT-DEOSSOPVSA-N 0 0 481.616 4.895 20 0 JJADRN COC1(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CCC(C)CC1 ZINC001436136812 1065207605 /nfs/dbraw/zinc/20/76/05/1065207605.db2.gz VKTBDOFNDLTPQT-UHFFFAOYSA-N 0 0 457.411 4.894 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001360356987 1065207736 /nfs/dbraw/zinc/20/77/36/1065207736.db2.gz CAEDGUSUYMGCTC-FQEVSTJZSA-N 0 0 459.516 4.878 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)s1 ZINC001436138857 1065209295 /nfs/dbraw/zinc/20/92/95/1065209295.db2.gz RYEJDMVWNRZYGQ-UHFFFAOYSA-N 0 0 450.402 4.901 20 0 JJADRN CCc1c(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cnn1-c1cccc(Cl)c1 ZINC001436138665 1065209402 /nfs/dbraw/zinc/20/94/02/1065209402.db2.gz OGWVLBAKLHRRDN-UHFFFAOYSA-N 0 0 451.914 4.718 20 0 JJADRN O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(CCC(F)(F)F)CC(F)(F)F ZINC001436139500 1065209912 /nfs/dbraw/zinc/20/99/12/1065209912.db2.gz YQNBVBJOSPPGRS-UHFFFAOYSA-N 0 0 450.379 4.572 20 0 JJADRN C[C@H](NC(=O)Cc1ccccc1S(=O)(=O)C(F)F)c1cccc(OCc2ccccc2)c1 ZINC001436139942 1065210451 /nfs/dbraw/zinc/21/04/51/1065210451.db2.gz CKZPNKLHCPWVHA-KRWDZBQOSA-N 0 0 459.514 4.682 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCN([C@H](C)c4ccc(F)cc4F)CC3)nnc2C(C)(C)C)cn1 ZINC001360358153 1065210578 /nfs/dbraw/zinc/21/05/78/1065210578.db2.gz YUUDKZDMHZFJNV-LJQANCHMSA-N 0 0 498.622 4.968 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c1 ZINC001360359220 1065211078 /nfs/dbraw/zinc/21/10/78/1065211078.db2.gz ARWDQEGDPRIYFG-KOSHJBKYSA-N 0 0 456.612 4.503 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C(C)C)c1 ZINC001360359324 1065211422 /nfs/dbraw/zinc/21/14/22/1065211422.db2.gz AJKOMYZHPGWGDX-XMMPIXPASA-N 0 0 458.006 4.824 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCCC2)c1 ZINC001360359367 1065211498 /nfs/dbraw/zinc/21/14/98/1065211498.db2.gz BWLUGEWBVDENBF-UHFFFAOYSA-N 0 0 462.598 4.929 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001360359424 1065211603 /nfs/dbraw/zinc/21/16/03/1065211603.db2.gz CXEDFFVHKIKWAR-HXUWFJFHSA-N 0 0 496.656 4.963 20 0 JJADRN Cn1nnc2cc(C(=O)OCc3cc(Br)c(Cl)c(Br)c3)ccc21 ZINC001436142245 1065211853 /nfs/dbraw/zinc/21/18/53/1065211853.db2.gz ZOOMFNAWAJGLFY-UHFFFAOYSA-N 0 0 459.525 4.504 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001360359595 1065211951 /nfs/dbraw/zinc/21/19/51/1065211951.db2.gz HDLLKVHCNZQTGG-PZJWPPBQSA-N 0 0 452.551 4.739 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001360359593 1065211957 /nfs/dbraw/zinc/21/19/57/1065211957.db2.gz HDLLKVHCNZQTGG-FPOVZHCZSA-N 0 0 452.551 4.739 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CCOCC2)cc1 ZINC001360359932 1065212672 /nfs/dbraw/zinc/21/26/72/1065212672.db2.gz LTKVWBBHNPVXIX-DNQXCXABSA-N 0 0 470.658 4.895 20 0 JJADRN Cc1c(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cnn1-c1ccc(F)cc1 ZINC001436146374 1065213316 /nfs/dbraw/zinc/21/33/16/1065213316.db2.gz QLSVPJZVUWEKKZ-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCO[C@H]2CCCC[C@H]2C)c1 ZINC001360360206 1065213179 /nfs/dbraw/zinc/21/31/79/1065213179.db2.gz QIFZBSIOGOMPBA-QPPBQGQZSA-N 0 0 483.657 4.533 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)nc2ncnn21 ZINC001436147536 1065213662 /nfs/dbraw/zinc/21/36/62/1065213662.db2.gz CXHLUENEPWBBEJ-UHFFFAOYSA-N 0 0 459.735 4.638 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1C[C@H](OC)C(C)C ZINC001545895777 1065213802 /nfs/dbraw/zinc/21/38/02/1065213802.db2.gz FHUJCLBEJJAAHO-RDPSFJRHSA-N 0 0 480.657 4.733 20 0 JJADRN CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1nc2c(cccc2Cl)s1 ZINC001436147906 1065214457 /nfs/dbraw/zinc/21/44/57/1065214457.db2.gz IUOCVSSDQZARKZ-BBATYDOGSA-N 0 0 452.338 4.925 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(CN(C)Cc4cscn4)c3)cc2)C[C@H](C)O1 ZINC001360360825 1065214553 /nfs/dbraw/zinc/21/45/53/1065214553.db2.gz XOFZPYFZAGRCMN-KDURUIRLSA-N 0 0 450.608 4.641 20 0 JJADRN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001436149461 1065214926 /nfs/dbraw/zinc/21/49/26/1065214926.db2.gz YLHPEQVUYVKJPA-LBPRGKRZSA-N 0 0 450.764 4.770 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360360989 1065214991 /nfs/dbraw/zinc/21/49/91/1065214991.db2.gz BHSOMHYNPXJMMM-UHFFFAOYSA-N 0 0 473.499 4.523 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C2CCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360361007 1065215023 /nfs/dbraw/zinc/21/50/23/1065215023.db2.gz BPJBYMBLKJXPCN-UHFFFAOYSA-N 0 0 450.505 4.729 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@@H](c4ccc(C)cc4C)C3)cc2)cc1 ZINC001436150472 1065215629 /nfs/dbraw/zinc/21/56/29/1065215629.db2.gz FSHOHOYFTIKMKY-RUZDIDTESA-N 0 0 456.586 4.801 20 0 JJADRN C[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)c1ccc(OC(F)(F)F)cc1 ZINC001436150528 1065215666 /nfs/dbraw/zinc/21/56/66/1065215666.db2.gz ZRQNQMUXFBZKLL-IINYFYTJSA-N 0 0 457.246 4.651 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC2)c1 ZINC001360361263 1065215638 /nfs/dbraw/zinc/21/56/38/1065215638.db2.gz JZYUURUWJBLBOR-VSKRKVRLSA-N 0 0 499.656 4.509 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)CCc2cnn(-c3ccccc3)c2)CC1(C)C ZINC001436150713 1065216064 /nfs/dbraw/zinc/21/60/64/1065216064.db2.gz LBHNLZMHXBLMOW-UHFFFAOYSA-N 0 0 453.384 4.829 20 0 JJADRN C[C@@H](NC(=O)COc1cccc(I)c1)c1ccc(Cl)c(Cl)c1 ZINC001436150644 1065216087 /nfs/dbraw/zinc/21/60/87/1065216087.db2.gz AAUFHFNMUDRZJW-SNVBAGLBSA-N 0 0 450.103 4.854 20 0 JJADRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001436151178 1065216564 /nfs/dbraw/zinc/21/65/64/1065216564.db2.gz GTGPWADYQBLUHD-FQEVSTJZSA-N 0 0 456.340 4.865 20 0 JJADRN O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001436151688 1065216702 /nfs/dbraw/zinc/21/67/02/1065216702.db2.gz KBHDMBGBYGMBMH-MRXNPFEDSA-N 0 0 457.299 4.958 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001360362035 1065217094 /nfs/dbraw/zinc/21/70/94/1065217094.db2.gz IGVASWFQXMGJLF-MQSCRBSSSA-N 0 0 456.631 4.647 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)cc1 ZINC001436152150 1065217049 /nfs/dbraw/zinc/21/70/49/1065217049.db2.gz IEYIPBSKHZKMKF-UHFFFAOYSA-N 0 0 456.999 4.602 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001436152489 1065217107 /nfs/dbraw/zinc/21/71/07/1065217107.db2.gz SIVWUMBZTILGLB-QGZVFWFLSA-N 0 0 459.384 4.890 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)CC2=O)c(C)c1 ZINC001360362245 1065217758 /nfs/dbraw/zinc/21/77/58/1065217758.db2.gz AUFHRPZCTLBNNU-GOSISDBHSA-N 0 0 454.933 4.641 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCOCC2)CC1 ZINC001360362247 1065217837 /nfs/dbraw/zinc/21/78/37/1065217837.db2.gz NSCNNGWVJOJFJS-IBGZPJMESA-N 0 0 460.594 4.768 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc(I)c1 ZINC001360362174 1065217881 /nfs/dbraw/zinc/21/78/81/1065217881.db2.gz AAXZDAYNAXNOKA-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)CCNC(=O)CC(C)C)cc1 ZINC001436153762 1065217711 /nfs/dbraw/zinc/21/77/11/1065217711.db2.gz GWJSATMULCTTSD-UHFFFAOYSA-N 0 0 451.386 4.541 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1 ZINC001436153663 1065217845 /nfs/dbraw/zinc/21/78/45/1065217845.db2.gz FEJCOUPCTKBTHA-MRXNPFEDSA-N 0 0 459.917 4.683 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCCC2)c2ncccc12)c1c(F)cccc1F ZINC001436154641 1065218269 /nfs/dbraw/zinc/21/82/69/1065218269.db2.gz LQOGGXRIUIWSCS-OAQYLSRUSA-N 0 0 452.505 4.709 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)CCC2=O)cc1C ZINC001436154694 1065218311 /nfs/dbraw/zinc/21/83/11/1065218311.db2.gz MTVJQQZHDCDKOB-CQSZACIVSA-N 0 0 458.946 4.996 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001360362596 1065218424 /nfs/dbraw/zinc/21/84/24/1065218424.db2.gz UEPIMLUKQNBYFH-QGZVFWFLSA-N 0 0 488.430 4.897 20 0 JJADRN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001436155431 1065218643 /nfs/dbraw/zinc/21/86/43/1065218643.db2.gz NJPKOYSGCVRWGM-GOSISDBHSA-N 0 0 452.860 4.895 20 0 JJADRN CC(C)OC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360362884 1065218796 /nfs/dbraw/zinc/21/87/96/1065218796.db2.gz YUXJPZVCUZINDU-MGBGTMOVSA-N 0 0 472.699 4.689 20 0 JJADRN CC(C)OC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360362885 1065218823 /nfs/dbraw/zinc/21/88/23/1065218823.db2.gz YUXJPZVCUZINDU-XIFFEERXSA-N 0 0 472.699 4.689 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)COc1cccc(I)c1 ZINC001360363531 1065219295 /nfs/dbraw/zinc/21/92/95/1065219295.db2.gz FSZWSRDWTQXUNA-UHFFFAOYSA-N 0 0 451.348 4.835 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C(F)(F)c2ccc(Br)cc2)n1 ZINC001436155708 1065219417 /nfs/dbraw/zinc/21/94/17/1065219417.db2.gz YRSQLIXVXLSDPW-AWEZNQCLSA-N 0 0 459.312 4.538 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001436156879 1065219817 /nfs/dbraw/zinc/21/98/17/1065219817.db2.gz ORDZOKZLNKWKRW-UHFFFAOYSA-N 0 0 456.789 4.558 20 0 JJADRN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001436157061 1065219879 /nfs/dbraw/zinc/21/98/79/1065219879.db2.gz PZGSVVHPBBOJBF-INIZCTEOSA-N 0 0 456.490 4.993 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360363753 1065219897 /nfs/dbraw/zinc/21/98/97/1065219897.db2.gz DABRALPGAODYHT-QHCPKHFHSA-N 0 0 461.031 4.962 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363673 1065219952 /nfs/dbraw/zinc/21/99/52/1065219952.db2.gz HZYJHLXUSFZVHA-LJQANCHMSA-N 0 0 452.514 4.799 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)c(F)c(Cl)c1)C2=O ZINC001436159212 1065220954 /nfs/dbraw/zinc/22/09/54/1065220954.db2.gz YUDJYAIEFSUVOH-UHFFFAOYSA-N 0 0 458.361 4.988 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360364116 1065220994 /nfs/dbraw/zinc/22/09/94/1065220994.db2.gz JMNTZNCPQASWGB-SCLBCKFNSA-N 0 0 455.347 4.771 20 0 JJADRN C[C@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001436158484 1065221029 /nfs/dbraw/zinc/22/10/29/1065221029.db2.gz HQPOMJJNIKFFML-ZDUSSCGKSA-N 0 0 450.486 4.553 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360364136 1065221087 /nfs/dbraw/zinc/22/10/87/1065221087.db2.gz JPLIZJQADFSICG-SFHVURJKSA-N 0 0 485.373 4.526 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2nc3cc(Br)ccc3n2CC)c(C)n1 ZINC001436160179 1065221396 /nfs/dbraw/zinc/22/13/96/1065221396.db2.gz FVLCPFHHYAOBRR-CYBMUJFWSA-N 0 0 458.404 4.598 20 0 JJADRN O=C(CCOc1ccc(Cl)c(F)c1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001436160069 1065221531 /nfs/dbraw/zinc/22/15/31/1065221531.db2.gz CLSIXKKZUHBZIX-KRWDZBQOSA-N 0 0 459.732 4.867 20 0 JJADRN CC(C)OC1CCN(c2nnc(C3CCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360364245 1065221684 /nfs/dbraw/zinc/22/16/84/1065221684.db2.gz IZDHSECUMYKITQ-IBGZPJMESA-N 0 0 461.651 4.587 20 0 JJADRN CCn1c(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)nc2cc(Br)ccc21 ZINC001436160728 1065222121 /nfs/dbraw/zinc/22/21/21/1065222121.db2.gz KRJKZSVGULRYDE-KRWDZBQOSA-N 0 0 450.283 4.535 20 0 JJADRN COC(=O)c1cccc(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1Br ZINC001436160652 1065222132 /nfs/dbraw/zinc/22/21/32/1065222132.db2.gz DLUARFNOCUVKBY-CYBMUJFWSA-N 0 0 457.365 4.504 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001360364741 1065222070 /nfs/dbraw/zinc/22/20/70/1065222070.db2.gz RBOGITQNKBBHKE-UHFFFAOYSA-N 0 0 480.357 4.756 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001436161953 1065222680 /nfs/dbraw/zinc/22/26/80/1065222680.db2.gz SUCHQJRBTUKKEO-GDZNZVCISA-N 0 0 457.279 4.826 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1CC(C)(C)c1cccs1 ZINC001545895831 1065223168 /nfs/dbraw/zinc/22/31/68/1065223168.db2.gz GKLJWNJDBMPIIK-XMMPIXPASA-N 0 0 461.676 4.631 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC001436164284 1065223891 /nfs/dbraw/zinc/22/38/91/1065223891.db2.gz AXEQHEGUKXMFQC-NRFANRHFSA-N 0 0 451.032 4.895 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1sc(-c2ccc(OCC)cc2)nc1CC ZINC001436165118 1065224376 /nfs/dbraw/zinc/22/43/76/1065224376.db2.gz DDBNVURZKYZJQT-SFHVURJKSA-N 0 0 459.612 4.902 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360366403 1065224954 /nfs/dbraw/zinc/22/49/54/1065224954.db2.gz ALDZXBZKEPHTSQ-UHFFFAOYSA-N 0 0 476.959 4.692 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001436166388 1065225171 /nfs/dbraw/zinc/22/51/71/1065225171.db2.gz RUTSSLPZJFJJQW-GOSISDBHSA-N 0 0 451.995 4.920 20 0 JJADRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC001436167122 1065225856 /nfs/dbraw/zinc/22/58/56/1065225856.db2.gz AFLJLMSKBZTRPV-KRWDZBQOSA-N 0 0 451.995 4.844 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001436167360 1065225945 /nfs/dbraw/zinc/22/59/45/1065225945.db2.gz LTSKRQAQINIKTG-MRXNPFEDSA-N 0 0 458.967 4.957 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC2CCCC2)CC1 ZINC001360367311 1065226023 /nfs/dbraw/zinc/22/60/23/1065226023.db2.gz FYBSHKXOFXQKJK-DHIUTWEWSA-N 0 0 462.679 4.940 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)N(Cc3cccc(Br)c3)CC3CC3)c(C)n2n1 ZINC001436168113 1065226309 /nfs/dbraw/zinc/22/63/09/1065226309.db2.gz XDCCUCPYCKCOPW-UHFFFAOYSA-N 0 0 455.400 4.788 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N(Cc3cccc(Br)c3)CC3CC3)CC2=O)ccc1F ZINC001436168147 1065226352 /nfs/dbraw/zinc/22/63/52/1065226352.db2.gz XMEWOEXGBBIZOO-GOSISDBHSA-N 0 0 459.359 4.688 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC001436167797 1065226454 /nfs/dbraw/zinc/22/64/54/1065226454.db2.gz YNCOBNMHUPCJJN-MHPGCWQKSA-N 0 0 465.343 4.571 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001436168881 1065226503 /nfs/dbraw/zinc/22/65/03/1065226503.db2.gz QYMOXKZFZGEDSX-IBGZPJMESA-N 0 0 452.514 4.941 20 0 JJADRN Cc1cc([C@H](OC(=O)Cc2ccn(CC(F)(F)F)n2)C(F)(F)F)ccc1Br ZINC001436169291 1065226963 /nfs/dbraw/zinc/22/69/63/1065226963.db2.gz NUYFDYNMJYCEOE-AWEZNQCLSA-N 0 0 459.184 4.906 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001360367878 1065227116 /nfs/dbraw/zinc/22/71/16/1065227116.db2.gz 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CC(C)OCCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360380336 1065241524 /nfs/dbraw/zinc/24/15/24/1065241524.db2.gz SXVLLSWWFUXRES-INIZCTEOSA-N 0 0 478.519 4.578 20 0 JJADRN CC(C)OCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001360380429 1065242078 /nfs/dbraw/zinc/24/20/78/1065242078.db2.gz WALLOPXOCKAUGR-UHFFFAOYSA-N 0 0 478.641 4.580 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001360380492 1065242148 /nfs/dbraw/zinc/24/21/48/1065242148.db2.gz XIXLGYQLKXHDTB-QFIPXVFZSA-N 0 0 477.049 4.866 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c1Cl ZINC001436193709 1065242385 /nfs/dbraw/zinc/24/23/85/1065242385.db2.gz LZIUYPKDOWRFQO-UHFFFAOYSA-N 0 0 456.725 4.962 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(F)c2Br)cc1N1CCCCC1 ZINC001360381240 1065242401 /nfs/dbraw/zinc/24/24/01/1065242401.db2.gz ADHSHKDQNOTCRE-UHFFFAOYSA-N 0 0 454.727 4.583 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C 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MEOLPBBVBLMJMW-XMSQKQJNSA-N 0 0 458.534 4.543 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2)CC1 ZINC001360382899 1065245400 /nfs/dbraw/zinc/24/54/00/1065245400.db2.gz FHIGJFOPHGMYCY-DNQXCXABSA-N 0 0 469.674 4.729 20 0 JJADRN C=C1c2ccccc2C(=O)N1CCC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 ZINC001436198557 1065246211 /nfs/dbraw/zinc/24/62/11/1065246211.db2.gz CUYNWELDODOEDO-UHFFFAOYSA-N 0 0 458.514 4.629 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cn3c(C)nc4cc(F)c(F)cc43)s2)cc1 ZINC001360383849 1065246246 /nfs/dbraw/zinc/24/62/46/1065246246.db2.gz GMDDYXIROVFHJW-GFCCVEGCSA-N 0 0 456.518 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001360383900 1065246877 /nfs/dbraw/zinc/24/68/77/1065246877.db2.gz HRAMUCPHFZYOJN-MRXNPFEDSA-N 0 0 457.796 4.650 20 0 JJADRN O=C(Nc1ncc(-c2cccnc2)s1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001436199968 1065246816 /nfs/dbraw/zinc/24/68/16/1065246816.db2.gz YVMNCCDTJBZLOR-UHFFFAOYSA-N 0 0 450.833 4.710 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)C1 ZINC001436200352 1065246830 /nfs/dbraw/zinc/24/68/30/1065246830.db2.gz MVYZZZQMMBFODT-FXAWDEMLSA-N 0 0 459.823 4.553 20 0 JJADRN O=C(NCc1cnn2ccccc12)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001436200063 1065246856 /nfs/dbraw/zinc/24/68/56/1065246856.db2.gz AARPXKRBNAHQPC-UHFFFAOYSA-N 0 0 457.715 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001436200990 1065247314 /nfs/dbraw/zinc/24/73/14/1065247314.db2.gz POHPWPKQXXRMJX-WWNPGLIZSA-N 0 0 452.599 4.506 20 0 JJADRN CCc1cc2c(CC(=O)N3CCN(C(=O)[C@H](C)Oc4cccc(C)c4)CC3)csc2s1 ZINC001360385086 1065247294 /nfs/dbraw/zinc/24/72/94/1065247294.db2.gz NKYXUPLWAWMIGB-KRWDZBQOSA-N 0 0 456.633 4.514 20 0 JJADRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001436201945 1065247982 /nfs/dbraw/zinc/24/79/82/1065247982.db2.gz WWKZDASNQPSJQI-NXHRZFHOSA-N 0 0 450.542 4.809 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001360385421 1065248578 /nfs/dbraw/zinc/24/85/78/1065248578.db2.gz SBWCBNKGXMSPEV-FQEVSTJZSA-N 0 0 457.014 4.746 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360385680 1065249206 /nfs/dbraw/zinc/24/92/06/1065249206.db2.gz IOQSIGLSUGDFSF-JSGCOSHPSA-N 0 0 497.381 4.740 20 0 JJADRN CC(C)OCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001360385773 1065249217 /nfs/dbraw/zinc/24/92/17/1065249217.db2.gz KDUJSQPFZHDYQO-GOSISDBHSA-N 0 0 475.062 4.753 20 0 JJADRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC001436204041 1065249643 /nfs/dbraw/zinc/24/96/43/1065249643.db2.gz FMGOHBOYYLNUIQ-MGPUTAFESA-N 0 0 456.493 4.799 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360386153 1065250070 /nfs/dbraw/zinc/25/00/70/1065250070.db2.gz SAAZGMJZXJEUAA-UHFFFAOYSA-N 0 0 458.647 4.893 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001436205427 1065250493 /nfs/dbraw/zinc/25/04/93/1065250493.db2.gz MEIUPACVZTWXDY-FIKGOQFSSA-N 0 0 451.592 4.966 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001436205438 1065250656 /nfs/dbraw/zinc/25/06/56/1065250656.db2.gz MEIUPACVZTWXDY-WWMYMODYSA-N 0 0 451.592 4.966 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1 ZINC001436205917 1065250686 /nfs/dbraw/zinc/25/06/86/1065250686.db2.gz WMUFHBUEUBQWIO-HNNXBMFYSA-N 0 0 453.988 4.668 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001360386356 1065250492 /nfs/dbraw/zinc/25/04/92/1065250492.db2.gz ZZHOSLWZEPBKJZ-FQEVSTJZSA-N 0 0 493.377 4.833 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1C1CC1 ZINC001436208493 1065251691 /nfs/dbraw/zinc/25/16/91/1065251691.db2.gz CQCNRUYOSDCTHB-VGOFRKELSA-N 0 0 452.599 4.996 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1C1CC1 ZINC001436208494 1065251727 /nfs/dbraw/zinc/25/17/27/1065251727.db2.gz CQCNRUYOSDCTHB-VGSWGCGISA-N 0 0 452.599 4.996 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cccc4cc(Br)cnc43)CC2=O)c(C)c1 ZINC001436209407 1065252649 /nfs/dbraw/zinc/25/26/49/1065252649.db2.gz BGQUBWRYLNNTPG-QGZVFWFLSA-N 0 0 452.352 4.914 20 0 JJADRN O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@H](CC1CC1)c1ccccc1 ZINC001360388744 1065253094 /nfs/dbraw/zinc/25/30/94/1065253094.db2.gz XPSAINQDUHUQKF-HXUWFJFHSA-N 0 0 450.398 4.661 20 0 JJADRN CC(C)OCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C1CCCCC1 ZINC001360389188 1065253243 /nfs/dbraw/zinc/25/32/43/1065253243.db2.gz FVOQEKGMERSTCQ-UHFFFAOYSA-N 0 0 466.630 4.820 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001436210505 1065253619 /nfs/dbraw/zinc/25/36/19/1065253619.db2.gz VADVXIJPFUDOJT-UHFFFAOYSA-N 0 0 458.150 4.501 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001436210845 1065253644 /nfs/dbraw/zinc/25/36/44/1065253644.db2.gz ZSAMBRPTCQDQFD-NTKDMRAZSA-N 0 0 452.595 4.915 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001436210842 1065253683 /nfs/dbraw/zinc/25/36/83/1065253683.db2.gz ZSAMBRPTCQDQFD-DVECYGJZSA-N 0 0 452.595 4.915 20 0 JJADRN COc1ccc2c(CC(=O)NC[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)coc2c1 ZINC001436210578 1065253804 /nfs/dbraw/zinc/25/38/04/1065253804.db2.gz XVILWHTXIMXRPM-QFIPXVFZSA-N 0 0 450.535 4.635 20 0 JJADRN CC(C)OCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360389214 1065253689 /nfs/dbraw/zinc/25/36/89/1065253689.db2.gz GPWDPUVWNAKGQN-VQTJNVASSA-N 0 0 466.630 4.533 20 0 JJADRN CC(C)OCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360390061 1065254310 /nfs/dbraw/zinc/25/43/10/1065254310.db2.gz DEFDPOMCWLYHNE-DEOSSOPVSA-N 0 0 450.574 4.604 20 0 JJADRN CC(C)OCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360390401 1065254828 /nfs/dbraw/zinc/25/48/28/1065254828.db2.gz LKYXUKZPGZIHEN-UHFFFAOYSA-N 0 0 489.636 4.707 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)cc2)cc1 ZINC001360391371 1065255285 /nfs/dbraw/zinc/25/52/85/1065255285.db2.gz RAHXGDGKWHGGPJ-AREMUKBSSA-N 0 0 456.542 4.645 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cccc4cc(Br)cnc43)CC2=O)cc1 ZINC001436212690 1065255492 /nfs/dbraw/zinc/25/54/92/1065255492.db2.gz WHBRHXBBKUGVDA-KRWDZBQOSA-N 0 0 452.352 4.941 20 0 JJADRN CC[C@@](NC(=O)c1ccc(COc2ccccc2OC)o1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001436213000 1065255508 /nfs/dbraw/zinc/25/55/08/1065255508.db2.gz HHTUHKVMNLZSFD-DEOSSOPVSA-N 0 0 457.910 4.729 20 0 JJADRN C[C@H]1CCC[C@H](C)N(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 ZINC001360391893 1065255989 /nfs/dbraw/zinc/25/59/89/1065255989.db2.gz FJQUVFWXPMZRIH-HOTGVXAUSA-N 0 0 452.979 4.955 20 0 JJADRN O=C(CSCc1ccccn1)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 ZINC001436214765 1065256582 /nfs/dbraw/zinc/25/65/82/1065256582.db2.gz SVIZZCPFDMGCCJ-UHFFFAOYSA-N 0 0 451.777 4.687 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@H](Cc3cccc(Br)c3)CC(C)C)C2=O)cc1 ZINC001360392583 1065256588 /nfs/dbraw/zinc/25/65/88/1065256588.db2.gz RQUGLHPWYSVOPV-SIKLNZKXSA-N 0 0 457.412 4.884 20 0 JJADRN COCCCOc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001436213991 1065256700 /nfs/dbraw/zinc/25/67/00/1065256700.db2.gz XJOZCBXJOABSBY-UHFFFAOYSA-N 0 0 456.539 4.614 20 0 JJADRN CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360393582 1065256998 /nfs/dbraw/zinc/25/69/98/1065256998.db2.gz QTPWLKNBGNCNCJ-PZJWPPBQSA-N 0 0 491.702 4.875 20 0 JJADRN CC(C)OCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001360393189 1065257134 /nfs/dbraw/zinc/25/71/34/1065257134.db2.gz FQWIZRHQIYBHHR-QHCPKHFHSA-N 0 0 453.656 4.851 20 0 JJADRN CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360393580 1065257154 /nfs/dbraw/zinc/25/71/54/1065257154.db2.gz QTPWLKNBGNCNCJ-CTNGQTDRSA-N 0 0 491.702 4.875 20 0 JJADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001436215919 1065257630 /nfs/dbraw/zinc/25/76/30/1065257630.db2.gz JQEBHJIJZLCZAK-VBNZEHGJSA-N 0 0 466.422 4.938 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCc3ccccc32)CC1 ZINC001360393896 1065257640 /nfs/dbraw/zinc/25/76/40/1065257640.db2.gz BLXXEHXIBBIVRO-XMMPIXPASA-N 0 0 481.685 4.669 20 0 JJADRN CC[C@](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)(C(=O)OC)c1ccccc1 ZINC001436215614 1065257735 /nfs/dbraw/zinc/25/77/35/1065257735.db2.gz RIKUBMDVRKNYEN-AREMUKBSSA-N 0 0 452.551 4.583 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@H]2C[C@@H]2C)CC1 ZINC001360394214 1065258050 /nfs/dbraw/zinc/25/80/50/1065258050.db2.gz MQLGHEDKAGEIAK-RDPSFJRHSA-N 0 0 481.685 4.971 20 0 JJADRN COCCNC(=O)c1cccc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1 ZINC001436216633 1065258196 /nfs/dbraw/zinc/25/81/96/1065258196.db2.gz HWJKCEDRKXXKJZ-UHFFFAOYSA-N 0 0 453.542 4.768 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cncc(Cl)c1Br ZINC001436216209 1065258207 /nfs/dbraw/zinc/25/82/07/1065258207.db2.gz DXAXSKVSLGTKMU-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001360395159 1065258998 /nfs/dbraw/zinc/25/89/98/1065258998.db2.gz UWVDIZFLCMUJNC-UHFFFAOYSA-N 0 0 455.511 4.523 20 0 JJADRN CCC(CC)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C(=O)OC)CC1=O ZINC001360395129 1065259071 /nfs/dbraw/zinc/25/90/71/1065259071.db2.gz UBDYCFWFAVBZQA-HNNXBMFYSA-N 0 0 458.942 4.895 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)c1 ZINC001360395537 1065259649 /nfs/dbraw/zinc/25/96/49/1065259649.db2.gz GOLVRINEQZHVHM-KCWPFWIISA-N 0 0 450.579 4.528 20 0 JJADRN CC[C@@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(OC)c(OC)c1 ZINC001436218845 1065260129 /nfs/dbraw/zinc/26/01/29/1065260129.db2.gz FKDMMQRGTDOMPP-CYBMUJFWSA-N 0 0 458.150 4.505 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001360395985 1065260067 /nfs/dbraw/zinc/26/00/67/1065260067.db2.gz VLRIQENMLFLFBL-IUODEOHRSA-N 0 0 458.183 4.918 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001360395839 1065260119 /nfs/dbraw/zinc/26/01/19/1065260119.db2.gz QBFKDVGXBWPHEW-GFCCVEGCSA-N 0 0 456.153 4.668 20 0 JJADRN CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360396386 1065260707 /nfs/dbraw/zinc/26/07/07/1065260707.db2.gz FLCATVPDHSAMRE-SFHVURJKSA-N 0 0 479.021 4.618 20 0 JJADRN CC(C)OCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001360396247 1065260749 /nfs/dbraw/zinc/26/07/49/1065260749.db2.gz BSJXGCAQMGQNKP-HXUWFJFHSA-N 0 0 474.030 4.690 20 0 JJADRN COc1cc(C(=O)Nc2cc3ccccn3n2)ccc1OCc1ccc(Br)cc1 ZINC001436220010 1065261346 /nfs/dbraw/zinc/26/13/46/1065261346.db2.gz XKUCIHOMOZSVPH-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CC(C)(C(=O)OCc1cn(-c2ccccc2Br)nn1)c1ccc(Cl)cc1F ZINC001436221351 1065261714 /nfs/dbraw/zinc/26/17/14/1065261714.db2.gz ILGJHHCDYHGZRL-UHFFFAOYSA-N 0 0 452.711 4.843 20 0 JJADRN CCOc1cc(C(=O)Nc2cc(Br)ccn2)ccc1OCCOc1ccccc1 ZINC001436221401 1065261730 /nfs/dbraw/zinc/26/17/30/1065261730.db2.gz CFIMOFQJMLFFDZ-UHFFFAOYSA-N 0 0 457.324 4.953 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001360396951 1065261795 /nfs/dbraw/zinc/26/17/95/1065261795.db2.gz CDCXCMLNCABNNQ-UHFFFAOYSA-N 0 0 494.467 4.906 20 0 JJADRN CCc1ccc(-c2ccc(C(=O)NCc3cc(C(F)(F)F)cc(S(C)(=O)=O)c3)o2)cc1 ZINC001436221611 1065262328 /nfs/dbraw/zinc/26/23/28/1065262328.db2.gz IXLSZFKYJWIQJI-UHFFFAOYSA-N 0 0 451.466 4.861 20 0 JJADRN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC001436222072 1065262687 /nfs/dbraw/zinc/26/26/87/1065262687.db2.gz PGTNMVVGFYIGDY-UHFFFAOYSA-N 0 0 452.960 4.966 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360397771 1065262703 /nfs/dbraw/zinc/26/27/03/1065262703.db2.gz WZAILGGMYNWSHG-LBPRGKRZSA-N 0 0 467.355 4.973 20 0 JJADRN CC(C)OCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360397823 1065262835 /nfs/dbraw/zinc/26/28/35/1065262835.db2.gz YTIKZZVNKRVQGS-KRWDZBQOSA-N 0 0 485.620 4.773 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001360398291 1065263316 /nfs/dbraw/zinc/26/33/16/1065263316.db2.gz RJDKIQCRBCAQFJ-INIZCTEOSA-N 0 0 451.792 4.695 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)nc2ccccc21 ZINC001436223036 1065263391 /nfs/dbraw/zinc/26/33/91/1065263391.db2.gz OKSLUCSGCANUAA-UHFFFAOYSA-N 0 0 459.518 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001436223014 1065263485 /nfs/dbraw/zinc/26/34/85/1065263485.db2.gz NUUMNAUYYITEGD-PEBXRYMYSA-N 0 0 453.555 4.592 20 0 JJADRN CC(C)OCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(Br)C1 ZINC001360398626 1065263452 /nfs/dbraw/zinc/26/34/52/1065263452.db2.gz GZQDODZFBNIVDZ-UHFFFAOYSA-N 0 0 488.199 4.761 20 0 JJADRN CC(C)OCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001360399154 1065263904 /nfs/dbraw/zinc/26/39/04/1065263904.db2.gz RTEOMOJMOOHRCB-UHFFFAOYSA-N 0 0 474.049 4.643 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001360398762 1065263962 /nfs/dbraw/zinc/26/39/62/1065263962.db2.gz LFVQJPSIDCEUFW-MRXNPFEDSA-N 0 0 479.025 4.502 20 0 JJADRN CC(C)OCCn1c(-c2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001360399776 1065264463 /nfs/dbraw/zinc/26/44/63/1065264463.db2.gz ZMSPJMAXQRFEAA-INIZCTEOSA-N 0 0 456.388 4.651 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C)c3cc(Br)ccc32)cc1NC(=O)c1ccco1 ZINC001436225376 1065264878 /nfs/dbraw/zinc/26/48/78/1065264878.db2.gz BYTWTLYFTJPXAX-UHFFFAOYSA-N 0 0 454.324 4.699 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1 ZINC001436225338 1065265087 /nfs/dbraw/zinc/26/50/87/1065265087.db2.gz BALQLNQUDLKTFT-UHFFFAOYSA-N 0 0 454.514 4.706 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001436226220 1065265565 /nfs/dbraw/zinc/26/55/65/1065265565.db2.gz BNWQTOIKVYAUNG-DYESRHJHSA-N 0 0 458.396 4.798 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1cccs1 ZINC001360402088 1065266010 /nfs/dbraw/zinc/26/60/10/1065266010.db2.gz HHRUYVSSQHHTHL-LJQANCHMSA-N 0 0 477.675 4.558 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1 ZINC001360402358 1065266041 /nfs/dbraw/zinc/26/60/41/1065266041.db2.gz JNOFRRBTOKNYKN-OAQYLSRUSA-N 0 0 487.620 4.519 20 0 JJADRN Cc1ccc(C(=O)N2CCc3ccc(Br)cc3C2)cc1I ZINC001436227923 1065266216 /nfs/dbraw/zinc/26/62/16/1065266216.db2.gz HMXMSMHLKIRJJL-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC001360403183 1065266404 /nfs/dbraw/zinc/26/64/04/1065266404.db2.gz UAAVCBLCXKTSLB-UWJYYQICSA-N 0 0 457.412 4.999 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(OCc3ccccc3)cn2)CC1 ZINC001360402899 1065266558 /nfs/dbraw/zinc/26/65/58/1065266558.db2.gz RLYJDMHOSSZUQK-RUZDIDTESA-N 0 0 451.517 4.848 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC(F)F)cc2F)CC1 ZINC001360403177 1065266620 /nfs/dbraw/zinc/26/66/20/1065266620.db2.gz TXVOVIPFMIOILN-ZDUSSCGKSA-N 0 0 457.290 4.709 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC001436227968 1065266641 /nfs/dbraw/zinc/26/66/41/1065266641.db2.gz BCERXNIICRBWMG-UHFFFAOYSA-N 0 0 451.796 4.677 20 0 JJADRN CC(C)OCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360404436 1065267565 /nfs/dbraw/zinc/26/75/65/1065267565.db2.gz ZYVWAZLCIJAWRX-UHFFFAOYSA-N 0 0 492.064 4.783 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccccc2Cl)c1 ZINC001360404842 1065267583 /nfs/dbraw/zinc/26/75/83/1065267583.db2.gz CWJHOYQQJMOXCF-NRFANRHFSA-N 0 0 455.942 4.557 20 0 JJADRN COCC[C@@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001436230122 1065268098 /nfs/dbraw/zinc/26/80/98/1065268098.db2.gz RBACSTSYRZVUEM-LJQANCHMSA-N 0 0 450.322 4.771 20 0 JJADRN COCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001436230152 1065268102 /nfs/dbraw/zinc/26/81/02/1065268102.db2.gz RGHHQLZQWAFJFZ-IFXJQAMLSA-N 0 0 455.769 4.894 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)NC1(c2ccccc2)CC1 ZINC001360405546 1065268159 /nfs/dbraw/zinc/26/81/59/1065268159.db2.gz XGRXNCQOULFKMR-UHFFFAOYSA-N 0 0 456.121 4.781 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001360406994 1065269474 /nfs/dbraw/zinc/26/94/74/1065269474.db2.gz CNSHJQJOZLHEDD-ADHNFCLRSA-N 0 0 483.657 4.856 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC001436232670 1065269640 /nfs/dbraw/zinc/26/96/40/1065269640.db2.gz PTOCMZJXLWQXGT-FATZIPQQSA-N 0 0 459.468 4.748 20 0 JJADRN CC(C)OCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360407348 1065270266 /nfs/dbraw/zinc/27/02/66/1065270266.db2.gz NXWMKOBOWHOAOD-UHFFFAOYSA-N 0 0 462.019 4.776 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001360407533 1065270348 /nfs/dbraw/zinc/27/03/48/1065270348.db2.gz VAKJFCJCUIKWKS-QHCPKHFHSA-N 0 0 497.640 4.774 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001360407496 1065270384 /nfs/dbraw/zinc/27/03/84/1065270384.db2.gz UEIZJROPHMOPSP-BHIFYINESA-N 0 0 477.049 4.853 20 0 JJADRN CC(C)OCCn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360407377 1065270425 /nfs/dbraw/zinc/27/04/25/1065270425.db2.gz OSXGNYVESGHZSF-QFIPXVFZSA-N 0 0 483.657 4.619 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2c(C)nn(C)c2Br)c1 ZINC001360408075 1065270992 /nfs/dbraw/zinc/27/09/92/1065270992.db2.gz GSYJLULIEHOAGN-HXUWFJFHSA-N 0 0 456.384 4.830 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)CN2c3ccccc3OCCC2=O)c1 ZINC001360408202 1065271035 /nfs/dbraw/zinc/27/10/35/1065271035.db2.gz HMRHWKBOKUASSA-XMMPIXPASA-N 0 0 458.558 4.528 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001436234967 1065270915 /nfs/dbraw/zinc/27/09/15/1065270915.db2.gz XUZHOMLBKXGUNQ-ZDUSSCGKSA-N 0 0 459.522 4.667 20 0 JJADRN CC[C@@H](NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCCC1 ZINC001436234842 1065271100 /nfs/dbraw/zinc/27/11/00/1065271100.db2.gz NJNPRRVAONUJDS-JTHBVZDNSA-N 0 0 452.599 4.635 20 0 JJADRN CC(C)Oc1ncc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001436236387 1065271609 /nfs/dbraw/zinc/27/16/09/1065271609.db2.gz UDDDRAYOUWGKDK-UHFFFAOYSA-N 0 0 453.699 4.862 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C)c1ccccc1 ZINC001360408175 1065271597 /nfs/dbraw/zinc/27/15/97/1065271597.db2.gz JDLBMECVIVFQHO-QHCPKHFHSA-N 0 0 453.970 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545896325 1065272080 /nfs/dbraw/zinc/27/20/80/1065272080.db2.gz QBALPACQXJEYQL-SFHVURJKSA-N 0 0 450.631 4.855 20 0 JJADRN CC[C@H]1CN(CC)CCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001436241564 1065272343 /nfs/dbraw/zinc/27/23/43/1065272343.db2.gz LHOLCBTZGLXDRD-IBGZPJMESA-N 0 0 458.628 4.637 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)NCCCC(F)(F)F ZINC001436245112 1065272925 /nfs/dbraw/zinc/27/29/25/1065272925.db2.gz YMXIAQBMDSAJFG-UHFFFAOYSA-N 0 0 456.440 4.763 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001436245004 1065273102 /nfs/dbraw/zinc/27/31/02/1065273102.db2.gz VZCUCSOIBRZQOV-UHFFFAOYSA-N 0 0 457.857 4.976 20 0 JJADRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)Cc3cccc(OCc4cccc(C)c4)c3)c2)C1=O ZINC001436247231 1065274118 /nfs/dbraw/zinc/27/41/18/1065274118.db2.gz VRPDBDMVHXIGBX-XMMPIXPASA-N 0 0 457.530 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2C1 ZINC001360411702 1065275234 /nfs/dbraw/zinc/27/52/34/1065275234.db2.gz FUQRCPOXYHFYKX-UHFFFAOYSA-N 0 0 454.914 4.571 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001360412118 1065275451 /nfs/dbraw/zinc/27/54/51/1065275451.db2.gz LRMSBRQGUSMMID-UHFFFAOYSA-N 0 0 450.720 4.870 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(C)C)CC1 ZINC001360413415 1065276441 /nfs/dbraw/zinc/27/64/41/1065276441.db2.gz YAALKBSSJDNQAJ-UHFFFAOYSA-N 0 0 466.674 4.579 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1 ZINC001360413813 1065276631 /nfs/dbraw/zinc/27/66/31/1065276631.db2.gz GNKDYTJDPPSLCK-AVRDEDQJSA-N 0 0 457.617 4.575 20 0 JJADRN CC(C)SCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001360414584 1065277037 /nfs/dbraw/zinc/27/70/37/1065277037.db2.gz IXPDDDKPTUIDNM-INIZCTEOSA-N 0 0 474.021 4.600 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccsc1 ZINC001360414514 1065277087 /nfs/dbraw/zinc/27/70/87/1065277087.db2.gz HBUMDJHCQFWAOC-UHFFFAOYSA-N 0 0 454.463 4.886 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1Cc1ccc(O)cc1 ZINC001545896474 1065277236 /nfs/dbraw/zinc/27/72/36/1065277236.db2.gz SWSDAUVBPAXUSM-IBGZPJMESA-N 0 0 496.681 4.914 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001436258218 1065277326 /nfs/dbraw/zinc/27/73/26/1065277326.db2.gz 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C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCCCC2)CC1 ZINC001360437364 1065318441 /nfs/dbraw/zinc/31/84/41/1065318441.db2.gz IAACSPFABIWVCV-IBGZPJMESA-N 0 0 475.628 4.723 20 0 JJADRN COc1ccncc1CNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001436435960 1065318842 /nfs/dbraw/zinc/31/88/42/1065318842.db2.gz MBWNSBHYGSILBN-SFHVURJKSA-N 0 0 454.354 4.621 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC3CC3)n2CCSC(F)(F)F)CC1 ZINC001360437747 1065319285 /nfs/dbraw/zinc/31/92/85/1065319285.db2.gz PQMLCHJYQILDQC-CQSZACIVSA-N 0 0 475.531 4.645 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360437645 1065319346 /nfs/dbraw/zinc/31/93/46/1065319346.db2.gz NDULOGMSUDNKHU-LJQANCHMSA-N 0 0 497.638 4.537 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545898205 1065319562 /nfs/dbraw/zinc/31/95/62/1065319562.db2.gz PMDOHDNZWSYKGG-RTWAWAEBSA-N 0 0 499.675 4.956 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CC2)n1CC1CCC(F)(F)CC1 ZINC001360438081 1065319990 /nfs/dbraw/zinc/31/99/90/1065319990.db2.gz VLDXUZJZQPXCGD-OAHLLOKOSA-N 0 0 452.571 4.582 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001436444123 1065320108 /nfs/dbraw/zinc/32/01/08/1065320108.db2.gz APSHEKUTCMCNFA-BJZITVGISA-N 0 0 454.514 4.510 20 0 JJADRN CCSc1cc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)ccn1 ZINC001436443477 1065320230 /nfs/dbraw/zinc/32/02/30/1065320230.db2.gz IFEABTZVCNPSCU-UHFFFAOYSA-N 0 0 453.377 4.617 20 0 JJADRN O=C(CCc1cccc(F)c1F)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001436443479 1065320376 /nfs/dbraw/zinc/32/03/76/1065320376.db2.gz IGMUDDLLMMEHRU-UHFFFAOYSA-N 0 0 456.302 4.707 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360438646 1065320517 /nfs/dbraw/zinc/32/05/17/1065320517.db2.gz CSHQAXNLHPEQPB-HLIGVVEJSA-N 0 0 490.624 4.829 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccncc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360438741 1065321069 /nfs/dbraw/zinc/32/10/69/1065321069.db2.gz YPRHGLOTUNWHFZ-MRXNPFEDSA-N 0 0 485.489 4.652 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)[C@@H]1Cc2ccc(Cl)cc21 ZINC001436446958 1065321086 /nfs/dbraw/zinc/32/10/86/1065321086.db2.gz WPPOOJDGNRCENV-GOSISDBHSA-N 0 0 452.751 4.789 20 0 JJADRN Cc1cn(CC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)c2ccccc12 ZINC001436444973 1065321171 /nfs/dbraw/zinc/32/11/71/1065321171.db2.gz LXKYHRHAKCILJY-UHFFFAOYSA-N 0 0 459.359 4.759 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360438968 1065321132 /nfs/dbraw/zinc/32/11/32/1065321132.db2.gz FHKGFVLKGJRSSQ-OVUFZDSYSA-N 0 0 458.672 4.812 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545898339 1065321628 /nfs/dbraw/zinc/32/16/28/1065321628.db2.gz RSTWEXIBSBLTSX-KQLGTBKOSA-N 0 0 459.679 4.837 20 0 JJADRN O=C(Oc1ccc(OCC2CC2)c(Cl)c1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001436457149 1065322963 /nfs/dbraw/zinc/32/29/63/1065322963.db2.gz OERFXOYBOYZPGU-UHFFFAOYSA-N 0 0 456.894 4.810 20 0 JJADRN CCC[C@H](CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)OC ZINC001436458617 1065323199 /nfs/dbraw/zinc/32/31/99/1065323199.db2.gz KKKXZMLYJNHPRR-HXUWFJFHSA-N 0 0 456.970 4.774 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001436463017 1065324558 /nfs/dbraw/zinc/32/45/58/1065324558.db2.gz ITLOAVLNCFMFOJ-CQSZACIVSA-N 0 0 451.723 4.515 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF ZINC001360440872 1065325032 /nfs/dbraw/zinc/32/50/32/1065325032.db2.gz YPZCIRHKOTYZPR-KUYHZZDMSA-N 0 0 480.407 4.501 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF ZINC001360440874 1065325075 /nfs/dbraw/zinc/32/50/75/1065325075.db2.gz YPZCIRHKOTYZPR-VDJOGVPQSA-N 0 0 480.407 4.501 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1CCC1=CCCCC1 ZINC001360441255 1065325686 /nfs/dbraw/zinc/32/56/86/1065325686.db2.gz BAOGQGWMFUXBAS-MPEABJBUSA-N 0 0 456.656 4.997 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F ZINC001360441221 1065325766 /nfs/dbraw/zinc/32/57/66/1065325766.db2.gz AKRNLCPYFXKQCZ-MIKNWGHHSA-N 0 0 479.572 4.787 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC001436467022 1065325842 /nfs/dbraw/zinc/32/58/42/1065325842.db2.gz LHHGKHKVTKSVMS-UHFFFAOYSA-N 0 0 453.109 4.718 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)CCSc2ccc(Br)cc2)c1 ZINC001436468984 1065326435 /nfs/dbraw/zinc/32/64/35/1065326435.db2.gz RLGLNVPXLIBIAM-UHFFFAOYSA-N 0 0 452.370 4.893 20 0 JJADRN O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001436468283 1065326506 /nfs/dbraw/zinc/32/65/06/1065326506.db2.gz YYIRXEUTJVAYQY-UHFFFAOYSA-N 0 0 458.686 4.815 20 0 JJADRN COc1cc(N(C)C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cc(OC)c1OC ZINC001360441919 1065326901 /nfs/dbraw/zinc/32/69/01/1065326901.db2.gz XJUKHGVWBYPNTH-UHFFFAOYSA-N 0 0 453.335 4.906 20 0 JJADRN O=C(Cn1ccc(Br)cc1=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001360441955 1065326925 /nfs/dbraw/zinc/32/69/25/1065326925.db2.gz YXYCQRWRMQEHSF-UHFFFAOYSA-N 0 0 450.292 4.590 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC1CCOCC1 ZINC001360442135 1065326945 /nfs/dbraw/zinc/32/69/45/1065326945.db2.gz JPKCLQIBVKHDGC-UPTQXZAWSA-N 0 0 472.680 4.682 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccn(-c4ccc(Br)cc4)n3)cc2)n1 ZINC001436470177 1065326951 /nfs/dbraw/zinc/32/69/51/1065326951.db2.gz VFSDTOUNWQHVSV-UHFFFAOYSA-N 0 0 450.340 4.619 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1cc(C)ccc1I ZINC001436470235 1065327164 /nfs/dbraw/zinc/32/71/64/1065327164.db2.gz WJRWQJSSHPZIEE-GOSISDBHSA-N 0 0 450.272 4.621 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCC1(F)F ZINC001360442324 1065327605 /nfs/dbraw/zinc/32/76/05/1065327605.db2.gz MCXDNWHMRQYIJY-JPJOVJKASA-N 0 0 480.625 4.932 20 0 JJADRN Cn1ncc2ccc(CNC(=O)c3cccc(Sc4cccc(Br)c4)n3)cc21 ZINC001436472114 1065327864 /nfs/dbraw/zinc/32/78/64/1065327864.db2.gz SKOFDGQNCMYPTA-UHFFFAOYSA-N 0 0 453.365 4.812 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001436473242 1065327907 /nfs/dbraw/zinc/32/79/07/1065327907.db2.gz KKIKSMFXODMDRB-ORAYPTAESA-N 0 0 451.311 4.518 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001436476498 1065328404 /nfs/dbraw/zinc/32/84/04/1065328404.db2.gz FNKZDVYXPCTKBZ-UHFFFAOYSA-N 0 0 451.592 4.777 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CCc1ccsc1 ZINC001360442853 1065328690 /nfs/dbraw/zinc/32/86/90/1065328690.db2.gz UKPOJKYNMIGFIH-UPTQXZAWSA-N 0 0 465.648 4.503 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001436477403 1065329166 /nfs/dbraw/zinc/32/91/66/1065329166.db2.gz IDSSWRPHRWDZNC-UHFFFAOYSA-N 0 0 451.491 4.686 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2Cc3cc(C)ccc3CC2(C)C)c1 ZINC001436477871 1065329186 /nfs/dbraw/zinc/32/91/86/1065329186.db2.gz WQBCFHDXVZLTQE-HSZRJFAPSA-N 0 0 452.595 4.803 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)s1 ZINC001360443393 1065329187 /nfs/dbraw/zinc/32/91/87/1065329187.db2.gz YSPFSSVSNADNCC-VFWVNOCMSA-N 0 0 479.071 4.870 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)n1 ZINC001436478231 1065329785 /nfs/dbraw/zinc/32/97/85/1065329785.db2.gz LXXSRMHWVVGCHW-UHFFFAOYSA-N 0 0 459.568 4.787 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccncc1 ZINC001360443547 1065329968 /nfs/dbraw/zinc/32/99/68/1065329968.db2.gz BDVUIQRYCRYMGA-OAHLLOKOSA-N 0 0 467.371 4.576 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC1CC(F)(F)C1 ZINC001360443471 1065329999 /nfs/dbraw/zinc/32/99/99/1065329999.db2.gz ZXGXNSXSFRVNRB-LHEBDHONSA-N 0 0 464.607 4.911 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1CCN(C)CC(F)(F)F ZINC001360444351 1065331144 /nfs/dbraw/zinc/33/11/44/1065331144.db2.gz RZVINFFQUIYITP-KRWDZBQOSA-N 0 0 496.578 4.515 20 0 JJADRN CC(C)(C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC001436484820 1065331357 /nfs/dbraw/zinc/33/13/57/1065331357.db2.gz BUTNWLPMKRDMDI-UHFFFAOYSA-N 0 0 456.391 4.862 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccn(C)n1 ZINC001360444321 1065331377 /nfs/dbraw/zinc/33/13/77/1065331377.db2.gz RNHJYRMPABFZPT-AWEZNQCLSA-N 0 0 487.427 4.648 20 0 JJADRN CC(=O)c1ccsc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001436488578 1065332682 /nfs/dbraw/zinc/33/26/82/1065332682.db2.gz ABKXDHDDQZUCEU-HNNXBMFYSA-N 0 0 453.358 4.918 20 0 JJADRN C[C@H](C(=O)N(Cc1ccncc1)c1ccc(Br)cc1)n1ccc(C(F)(F)F)n1 ZINC001436487005 1065332694 /nfs/dbraw/zinc/33/26/94/1065332694.db2.gz IXQDOAGIAOVZPA-CYBMUJFWSA-N 0 0 453.262 4.854 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cccs1 ZINC001360444999 1065332531 /nfs/dbraw/zinc/33/25/31/1065332531.db2.gz ZKOBPLFEGIPWHE-WNSKOXEYSA-N 0 0 469.998 4.866 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCSC1 ZINC001360444855 1065332583 /nfs/dbraw/zinc/33/25/83/1065332583.db2.gz YSOHRDHWTWYEIC-HUUCEWRRSA-N 0 0 476.444 4.702 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC001360444959 1065332751 /nfs/dbraw/zinc/33/27/51/1065332751.db2.gz MSEYQOHBWKJHDS-INIZCTEOSA-N 0 0 451.365 4.605 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)OCc2ccc(OC)cc2OC(F)F)CC[C@H]1c1ccc(C)o1 ZINC001360445271 1065333313 /nfs/dbraw/zinc/33/33/13/1065333313.db2.gz XMSUIEXDZFCIGT-IRXDYDNUSA-N 0 0 453.438 4.603 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C ZINC001360445570 1065333664 /nfs/dbraw/zinc/33/36/64/1065333664.db2.gz FKXBLQBFEBXWGC-WIYYLYMNSA-N 0 0 473.618 4.728 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1 ZINC001436490252 1065333828 /nfs/dbraw/zinc/33/38/28/1065333828.db2.gz GQBCNBPVJGYAQH-LJQANCHMSA-N 0 0 458.606 4.514 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)O[C@H](c3cccc(Br)n3)C(F)(F)F)ccn2)C1 ZINC001436492577 1065334350 /nfs/dbraw/zinc/33/43/50/1065334350.db2.gz QJFOIKNKAGOSDO-SJKOYZFVSA-N 0 0 458.278 4.936 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)s1 ZINC001360445792 1065334430 /nfs/dbraw/zinc/33/44/30/1065334430.db2.gz JMZFLIXFDPAJRS-QGZVFWFLSA-N 0 0 481.025 4.759 20 0 JJADRN COc1ccc(C(=O)C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cc1Cl ZINC001436492553 1065334506 /nfs/dbraw/zinc/33/45/06/1065334506.db2.gz PREPUROJGJVJHS-CQSZACIVSA-N 0 0 452.610 4.536 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccsc2)n1CCC(=O)NC1CCCCC1 ZINC001360446039 1065334875 /nfs/dbraw/zinc/33/48/75/1065334875.db2.gz NNPRFUGYTINYMA-GOSISDBHSA-N 0 0 467.639 4.672 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCO1 ZINC001360446021 1065334966 /nfs/dbraw/zinc/33/49/66/1065334966.db2.gz MUFBYOICQUJNDZ-WMZHIEFXSA-N 0 0 497.640 4.641 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(C(F)(F)F)co2)c1 ZINC001436497301 1065335764 /nfs/dbraw/zinc/33/57/64/1065335764.db2.gz VYIJRBZEPZWZIH-UHFFFAOYSA-N 0 0 451.426 4.685 20 0 JJADRN CCCc1nc(C(=O)OCc2cc(Br)cnc2Cl)nn1-c1ccccc1F ZINC001436502595 1065336263 /nfs/dbraw/zinc/33/62/63/1065336263.db2.gz RPHIIZCNQOKORY-UHFFFAOYSA-N 0 0 453.699 4.527 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[C@H](Oc4ccc(Cl)cc4)C3)s2)cc1 ZINC001436501470 1065336342 /nfs/dbraw/zinc/33/63/42/1065336342.db2.gz QLPCSWSLLPCWTR-IBGZPJMESA-N 0 0 456.951 4.956 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC(F)F ZINC001360446350 1065336210 /nfs/dbraw/zinc/33/62/10/1065336210.db2.gz UBCPLDUNYMYHTQ-UZLBHIALSA-N 0 0 473.524 4.510 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360446353 1065336338 /nfs/dbraw/zinc/33/63/38/1065336338.db2.gz UBTGQXFNDUMOIZ-KRWDZBQOSA-N 0 0 498.509 4.551 20 0 JJADRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC001436505142 1065336840 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HGMAYXZXQUPRFL-MRXNPFEDSA-N 0 0 452.942 4.926 20 0 JJADRN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)c12 ZINC001436510170 1065338327 /nfs/dbraw/zinc/33/83/27/1065338327.db2.gz GGYOWXBKXXOIMV-NRFANRHFSA-N 0 0 454.018 4.611 20 0 JJADRN COc1cc(CCC(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)ccc1OCC(F)(F)F ZINC001436509429 1065338363 /nfs/dbraw/zinc/33/83/63/1065338363.db2.gz JBGJCBKOSLOCQM-GOSISDBHSA-N 0 0 457.411 4.527 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCO2)n1CCC1=CCCCC1 ZINC001360448366 1065338713 /nfs/dbraw/zinc/33/87/13/1065338713.db2.gz OZXJEZWENGBNLQ-NZQKXSOJSA-N 0 0 451.615 4.676 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC001436512941 1065338910 /nfs/dbraw/zinc/33/89/10/1065338910.db2.gz RFXBEPXKAXHUOE-KUDFPVQQSA-N 0 0 456.380 4.865 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(Cl)nc1 ZINC001360448544 1065339255 /nfs/dbraw/zinc/33/92/55/1065339255.db2.gz SQQJJMZHICTEOC-SFHVURJKSA-N 0 0 469.033 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C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)O ZINC001360450062 1065341315 /nfs/dbraw/zinc/34/13/15/1065341315.db2.gz GHFBOAIQJCOCES-PZJWPPBQSA-N 0 0 471.646 4.751 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001436521522 1065341520 /nfs/dbraw/zinc/34/15/20/1065341520.db2.gz RGSIAVBVLCVRQR-TYBLODHISA-N 0 0 453.485 4.690 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001436521520 1065341598 /nfs/dbraw/zinc/34/15/98/1065341598.db2.gz RGSIAVBVLCVRQR-STWLZBDKSA-N 0 0 453.485 4.690 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(C)CCc1cccc(Br)c1)O[C@H](C)C2 ZINC001436525407 1065343118 /nfs/dbraw/zinc/34/31/18/1065343118.db2.gz UECJBESJAQPLCG-JJXUHFIVSA-N 0 0 458.396 4.976 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1csnc1-c1ccccc1 ZINC001360451155 1065343234 /nfs/dbraw/zinc/34/32/34/1065343234.db2.gz HGLMSONYYOYXAB-UHFFFAOYSA-N 0 0 455.605 4.556 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)C(F)(F)c3cccc(Br)c3)CC2)cc1 ZINC001360450941 1065343279 /nfs/dbraw/zinc/34/32/79/1065343279.db2.gz CYYJCLZMRUMXGR-UHFFFAOYSA-N 0 0 452.295 4.671 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001436525199 1065343479 /nfs/dbraw/zinc/34/34/79/1065343479.db2.gz DHZQJXQERBZPQO-UHFFFAOYSA-N 0 0 454.493 4.704 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCc3cc(F)ccc3Br)nc21 ZINC001436525848 1065343576 /nfs/dbraw/zinc/34/35/76/1065343576.db2.gz CSLBVGIXKWXZJR-ZDUSSCGKSA-N 0 0 455.349 4.599 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360451306 1065343638 /nfs/dbraw/zinc/34/36/38/1065343638.db2.gz YYVWZSBCXJGRND-CEMLEFRQSA-N 0 0 488.698 4.752 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2ccncc2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360451413 1065343684 /nfs/dbraw/zinc/34/36/84/1065343684.db2.gz ZYNNMBBYLPGPAM-SFHVURJKSA-N 0 0 482.510 4.954 20 0 JJADRN 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C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001360499066 1065419049 /nfs/dbraw/zinc/41/90/49/1065419049.db2.gz ZIZRKRRUUAGPNC-RCDICMHDSA-N 0 0 478.449 4.894 20 0 JJADRN CCOC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001436659053 1065419946 /nfs/dbraw/zinc/41/99/46/1065419946.db2.gz VEMNDTBKDGDSMN-LJQANCHMSA-N 0 0 454.571 4.583 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360499095 1065419861 /nfs/dbraw/zinc/41/98/61/1065419861.db2.gz ADUWFLUICRTOPO-PZJWPPBQSA-N 0 0 496.681 4.698 20 0 JJADRN CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360499283 1065419885 /nfs/dbraw/zinc/41/98/85/1065419885.db2.gz CWTUWTUHPDADDZ-LJQANCHMSA-N 0 0 499.656 4.678 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001360500011 1065420609 /nfs/dbraw/zinc/42/06/09/1065420609.db2.gz JSLLDBZISLBLBM-BEFAXECRSA-N 0 0 477.556 4.825 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001360499603 1065420714 /nfs/dbraw/zinc/42/07/14/1065420714.db2.gz GQFDESQPWUYIOB-MSOLQXFVSA-N 0 0 488.057 4.841 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360499357 1065420736 /nfs/dbraw/zinc/42/07/36/1065420736.db2.gz DQWXKKCYEQOICS-HSALFYBXSA-N 0 0 489.686 4.606 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1 ZINC001436667912 1065420624 /nfs/dbraw/zinc/42/06/24/1065420624.db2.gz JTWIRXHQYZQTLF-GUYCJALGSA-N 0 0 456.564 4.623 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1 ZINC001436667910 1065420818 /nfs/dbraw/zinc/42/08/18/1065420818.db2.gz JTWIRXHQYZQTLF-DYVFJYSZSA-N 0 0 456.564 4.623 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1 ZINC001436667905 1065420890 /nfs/dbraw/zinc/42/08/90/1065420890.db2.gz JTWIRXHQYZQTLF-CXAGYDPISA-N 0 0 456.564 4.623 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360500206 1065421407 /nfs/dbraw/zinc/42/14/07/1065421407.db2.gz KWPCPHDQSYVXMX-QGZVFWFLSA-N 0 0 459.660 4.979 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)nnc1-c1ccccc1 ZINC001436672534 1065421591 /nfs/dbraw/zinc/42/15/91/1065421591.db2.gz FBTQNODBZYEMGP-IRXDYDNUSA-N 0 0 452.580 4.923 20 0 JJADRN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc(C)c(Cl)cc2I)cc1 ZINC001436675651 1065421644 /nfs/dbraw/zinc/42/16/44/1065421644.db2.gz CEFPPAAXPUNSEU-LLVKDONJSA-N 0 0 457.695 4.782 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)C1CCCC1 ZINC001436674939 1065421702 /nfs/dbraw/zinc/42/17/02/1065421702.db2.gz PTJOWTWQIDGTTD-WMQCIHAUSA-N 0 0 450.645 4.641 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360500565 1065422395 /nfs/dbraw/zinc/42/23/95/1065422395.db2.gz NVJYDQPDNSXBLG-GOEBONIOSA-N 0 0 450.530 4.776 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Cc2cccs2)C1 ZINC001360500575 1065423139 /nfs/dbraw/zinc/42/31/39/1065423139.db2.gz NVMUEXUYPHGQJW-ROUUACIJSA-N 0 0 457.669 4.692 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001436689110 1065423418 /nfs/dbraw/zinc/42/34/18/1065423418.db2.gz RPERUYKBNRVYQF-NPMXOYFQSA-N 0 0 469.409 4.855 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)Cc2cccs2)CCO1 ZINC001360500995 1065424110 /nfs/dbraw/zinc/42/41/10/1065424110.db2.gz PVJULQTYSHQNEU-HTAPYJJXSA-N 0 0 460.594 4.949 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)Cc2cccs2)CCO1 ZINC001360501010 1065424126 /nfs/dbraw/zinc/42/41/26/1065424126.db2.gz PVJULQTYSHQNEU-JTSKRJEESA-N 0 0 460.594 4.949 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001360500863 1065424261 /nfs/dbraw/zinc/42/42/61/1065424261.db2.gz PDGBHOAEFLGPFK-GOSISDBHSA-N 0 0 456.635 4.668 20 0 JJADRN CC[C@@](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1)(C(=O)OC)c1ccccc1 ZINC001436694797 1065424350 /nfs/dbraw/zinc/42/43/50/1065424350.db2.gz LTVPOGMOIMLKQP-MHZLTWQESA-N 0 0 457.530 4.692 20 0 JJADRN O=C(NCCS(=O)(=O)Cc1ccccc1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001360501185 1065424977 /nfs/dbraw/zinc/42/49/77/1065424977.db2.gz IFFUMJJOXLPIIP-UHFFFAOYSA-N 0 0 453.526 4.639 20 0 JJADRN COc1ccc2c(CC(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)coc2c1 ZINC001360501424 1065425841 /nfs/dbraw/zinc/42/58/41/1065425841.db2.gz IZKQNCQTWJPIIW-UHFFFAOYSA-N 0 0 456.542 4.962 20 0 JJADRN O=C(NCC[S@@](=O)Cc1ccccc1)c1sc2cc(Br)ccc2c1Cl ZINC001360501441 1065425912 /nfs/dbraw/zinc/42/59/12/1065425912.db2.gz JKWKQCPLTJXLSJ-RUZDIDTESA-N 0 0 456.814 4.996 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001436710473 1065426137 /nfs/dbraw/zinc/42/61/37/1065426137.db2.gz HJHDODOVZUGZMF-PKOBYXMFSA-N 0 0 456.999 4.864 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360502052 1065426658 /nfs/dbraw/zinc/42/66/58/1065426658.db2.gz XBTYFQVCIHAMAL-MRXNPFEDSA-N 0 0 489.020 4.960 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360502274 1065427324 /nfs/dbraw/zinc/42/73/24/1065427324.db2.gz ZHELXQFMMRUHST-HKUYNNGSSA-N 0 0 459.660 4.617 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001545900685 1065427548 /nfs/dbraw/zinc/42/75/48/1065427548.db2.gz SLZCYXLIDWYGOT-QHCPKHFHSA-N 0 0 481.685 4.786 20 0 JJADRN O=C(CCc1nc2ccccc2s1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001436717937 1065429482 /nfs/dbraw/zinc/42/94/82/1065429482.db2.gz SMJKMDSEYMAIJV-UHFFFAOYSA-N 0 0 458.425 4.772 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CC(C)(C)C(F)(F)F ZINC001545900734 1065429551 /nfs/dbraw/zinc/42/95/51/1065429551.db2.gz TZCHMZUTFJFQLX-IBGZPJMESA-N 0 0 481.563 4.833 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360502951 1065429880 /nfs/dbraw/zinc/42/98/80/1065429880.db2.gz GKXOUHRZXGRTNK-ZJOUEHCJSA-N 0 0 489.686 4.763 20 0 JJADRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001436724856 1065430260 /nfs/dbraw/zinc/43/02/60/1065430260.db2.gz FGDPWONCRIXRAH-LJQANCHMSA-N 0 0 454.361 4.586 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001436728956 1065431151 /nfs/dbraw/zinc/43/11/51/1065431151.db2.gz QXKAAXMHDAAZDG-HXUWFJFHSA-N 0 0 456.942 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCC1=CCCCC1 ZINC001545900842 1065431292 /nfs/dbraw/zinc/43/12/92/1065431292.db2.gz VWHRGZUHSUWEPF-NRFANRHFSA-N 0 0 484.620 4.669 20 0 JJADRN CCOCCN(C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001436733071 1065432020 /nfs/dbraw/zinc/43/20/20/1065432020.db2.gz MBPSATCGYZROAA-RDGATRHJSA-N 0 0 456.970 4.758 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1Cl)c1cnccn1 ZINC001360503495 1065432333 /nfs/dbraw/zinc/43/23/33/1065432333.db2.gz KMLFSHPEHSAOAM-UHFFFAOYSA-N 0 0 454.273 4.542 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(N2CCC(NC(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001360503625 1065433384 /nfs/dbraw/zinc/43/33/84/1065433384.db2.gz MRKGEQZGDIOVGV-IBGZPJMESA-N 0 0 465.667 4.915 20 0 JJADRN CO[C@](C)([C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001436737775 1065433767 /nfs/dbraw/zinc/43/37/67/1065433767.db2.gz AUGQVQOSEWZTNH-NPMXOYFQSA-N 0 0 459.384 4.564 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001360503998 1065434069 /nfs/dbraw/zinc/43/40/69/1065434069.db2.gz QASNWFZHIKNZKF-LJQANCHMSA-N 0 0 465.667 4.539 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360504051 1065434240 /nfs/dbraw/zinc/43/42/40/1065434240.db2.gz QOJCDRGBALJSMD-KRWDZBQOSA-N 0 0 477.638 4.701 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC1 ZINC001360504037 1065434280 /nfs/dbraw/zinc/43/42/80/1065434280.db2.gz QKHTWSCHMSKPBC-KURKYZTESA-N 0 0 459.660 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545900977 1065434643 /nfs/dbraw/zinc/43/46/43/1065434643.db2.gz YOHMUIHSALKKGG-ICSRJNTNSA-N 0 0 475.703 4.921 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC001436741195 1065434706 /nfs/dbraw/zinc/43/47/06/1065434706.db2.gz GIRBTBPNDNZWFE-DOTOQJQBSA-N 0 0 450.963 4.836 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnccn2)n1CCc1csc(C(C)(C)C)n1 ZINC001360504233 1065435048 /nfs/dbraw/zinc/43/50/48/1065435048.db2.gz RXSGIZGZXRECOH-GOSISDBHSA-N 0 0 491.665 4.895 20 0 JJADRN CSc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)ccc1Cl ZINC001436751238 1065435852 /nfs/dbraw/zinc/43/58/52/1065435852.db2.gz CXDNKCHBWLXZJO-GASCZTMLSA-N 0 0 453.029 4.981 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3c3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001436749692 1065435860 /nfs/dbraw/zinc/43/58/60/1065435860.db2.gz FVDUOKIWLKPRIL-AAIMPIBUSA-N 0 0 452.599 4.821 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001436752421 1065435865 /nfs/dbraw/zinc/43/58/65/1065435865.db2.gz PYZOCHBMBSQAGX-JKSUJKDBSA-N 0 0 472.372 4.942 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360504686 1065436585 /nfs/dbraw/zinc/43/65/85/1065436585.db2.gz ZBWXWCIMRXHMNK-JMUQELJHSA-N 0 0 487.714 4.619 20 0 JJADRN Cc1cccc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)c1S(C)(=O)=O ZINC001436777444 1065439103 /nfs/dbraw/zinc/43/91/03/1065439103.db2.gz JEUYNSMXYRABPR-UHFFFAOYSA-N 0 0 452.960 4.580 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@@H](C)O1 ZINC001436791849 1065441771 /nfs/dbraw/zinc/44/17/71/1065441771.db2.gz SPFJONMJQOOAGU-HUUCEWRRSA-N 0 0 451.792 4.642 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C ZINC001360505688 1065442279 /nfs/dbraw/zinc/44/22/79/1065442279.db2.gz SKGVIQXFGDFRLR-SFCVBKHESA-N 0 0 484.685 4.911 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)C[C@H]1Cc2ccccc2O1)OCc1ccccc1 ZINC001436799581 1065442570 /nfs/dbraw/zinc/44/25/70/1065442570.db2.gz HJCWOCKUUINDDJ-JOCHJYFZSA-N 0 0 454.567 4.646 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1C(F)(F)F ZINC001436806713 1065444318 /nfs/dbraw/zinc/44/43/18/1065444318.db2.gz RDDINSWIAWMSMS-YJYMSZOUSA-N 0 0 457.855 4.722 20 0 JJADRN O=C([C@H]1CCC(=O)N1Cc1ccc(Br)cc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC001360506605 1065444653 /nfs/dbraw/zinc/44/46/53/1065444653.db2.gz GUYUEPIBLWQBII-OAQYLSRUSA-N 0 0 459.359 4.518 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)n2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506881 1065444863 /nfs/dbraw/zinc/44/48/63/1065444863.db2.gz JPOMKFDCVRWHSY-DLBZAZTESA-N 0 0 452.382 4.984 20 0 JJADRN CC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)c1ccccc1 ZINC001436808572 1065445208 /nfs/dbraw/zinc/44/52/08/1065445208.db2.gz XCLIMVMTZKQDMS-HNNXBMFYSA-N 0 0 453.262 4.930 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H]1SCCc2ccccc21 ZINC001545902063 1065446155 /nfs/dbraw/zinc/44/61/55/1065446155.db2.gz GIHKXYOHAXVEQH-VXKWHMMOSA-N 0 0 455.672 4.852 20 0 JJADRN Cc1nn(-c2cccnc2)nc1C(=O)NC1(c2ccc(Br)c(C)c2)CCCCC1 ZINC001436816676 1065446801 /nfs/dbraw/zinc/44/68/01/1065446801.db2.gz TYUIOJVTIGXGGS-UHFFFAOYSA-N 0 0 454.372 4.631 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2OC)cc1Br ZINC001436816239 1065446870 /nfs/dbraw/zinc/44/68/70/1065446870.db2.gz CHSGVKZNMJOPIY-MSOLQXFVSA-N 0 0 453.174 4.816 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)CC(F)(F)F ZINC001436817208 1065446943 /nfs/dbraw/zinc/44/69/43/1065446943.db2.gz MOHJSLQLDYSLNM-SJORKVTESA-N 0 0 450.501 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545902092 1065447503 /nfs/dbraw/zinc/44/75/03/1065447503.db2.gz GYPINBBWDXAUDJ-XKCSPQBFSA-N 0 0 453.631 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001545902091 1065447690 /nfs/dbraw/zinc/44/76/90/1065447690.db2.gz GYPINBBWDXAUDJ-WPYKKVEZSA-N 0 0 453.631 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCCOC(F)(F)F ZINC001545902119 1065448418 /nfs/dbraw/zinc/44/84/18/1065448418.db2.gz HYVAYYABMPNYIM-SFHVURJKSA-N 0 0 471.499 4.604 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(F)(F)F ZINC001436822792 1065448433 /nfs/dbraw/zinc/44/84/33/1065448433.db2.gz KVKSTYMZULTOCC-SFHVURJKSA-N 0 0 455.452 4.827 20 0 JJADRN CCc1sc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc1Br ZINC001436825943 1065448553 /nfs/dbraw/zinc/44/85/53/1065448553.db2.gz RLDOHLHGFKVDAF-GFCCVEGCSA-N 0 0 459.328 4.649 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N(C)c3ccc(C(=O)NC(C)(C)C)cc3)cs2)cc1 ZINC001436838907 1065449263 /nfs/dbraw/zinc/44/92/63/1065449263.db2.gz RJTLCGGFJULBSD-UHFFFAOYSA-N 0 0 451.592 4.943 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc1Oc1ccncc1 ZINC001436829639 1065449287 /nfs/dbraw/zinc/44/92/87/1065449287.db2.gz ZLCNGKPTWKTOCE-GOSISDBHSA-N 0 0 453.461 4.758 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)cc1 ZINC001436836651 1065449356 /nfs/dbraw/zinc/44/93/56/1065449356.db2.gz LAVDDVLFIOGQDP-GBXCKJPGSA-N 0 0 458.986 4.706 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001436848595 1065452283 /nfs/dbraw/zinc/45/22/83/1065452283.db2.gz SUOXHTDFIWGEJN-INIZCTEOSA-N 0 0 452.869 4.729 20 0 JJADRN C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360510209 1065452539 /nfs/dbraw/zinc/45/25/39/1065452539.db2.gz GGBZQKNMLYUBAX-URXFXBBRSA-N 0 0 490.652 4.903 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)CC2=O)c(C)c1 ZINC001436851988 1065453346 /nfs/dbraw/zinc/45/33/46/1065453346.db2.gz IPOOMWVNYPTVQF-KRWDZBQOSA-N 0 0 450.926 4.839 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)CC2=O)cc1 ZINC001436855601 1065453354 /nfs/dbraw/zinc/45/33/54/1065453354.db2.gz UXQMYTYMDDGGJU-QGZVFWFLSA-N 0 0 450.926 4.866 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)CC2=O)c(C)c1 ZINC001436851989 1065453455 /nfs/dbraw/zinc/45/34/55/1065453455.db2.gz IPOOMWVNYPTVQF-QGZVFWFLSA-N 0 0 450.926 4.839 20 0 JJADRN C[C@H](CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360510468 1065454388 /nfs/dbraw/zinc/45/43/88/1065454388.db2.gz LHWITBYWNVPUFA-NFBKMPQASA-N 0 0 476.625 4.561 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N3CC[C@@H](c4ccccc4)C3(C)C)CC2=O)ccc1Br ZINC001436858152 1065454424 /nfs/dbraw/zinc/45/44/24/1065454424.db2.gz CMNGENUGHGQGTG-ICSRJNTNSA-N 0 0 455.396 4.905 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)c1ccc(Cl)nc1C(F)(F)F ZINC001436862399 1065454825 /nfs/dbraw/zinc/45/48/25/1065454825.db2.gz BGANDIAOPCNRSM-UHFFFAOYSA-N 0 0 451.552 4.527 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(C)c2)n1C[C@](C)(OC)C1CC1 ZINC001545902784 1065454874 /nfs/dbraw/zinc/45/48/74/1065454874.db2.gz XOSPGJKMSIBOMU-GJZUVCINSA-N 0 0 453.631 4.662 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001436863429 1065455750 /nfs/dbraw/zinc/45/57/50/1065455750.db2.gz IBWKQMMSLQRTMH-WDEREUQCSA-N 0 0 454.193 4.552 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2c(Br)cc(F)c(F)c2F)cc1 ZINC001436866346 1065456535 /nfs/dbraw/zinc/45/65/35/1065456535.db2.gz CICDXCXEEHKRCZ-UHFFFAOYSA-N 0 0 458.274 4.838 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC001360511796 1065458163 /nfs/dbraw/zinc/45/81/63/1065458163.db2.gz UIOGRMKTNWAWSF-UHFFFAOYSA-N 0 0 457.448 4.888 20 0 JJADRN Cc1cc(C)c(COC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c(OCc2ccccc2)n1 ZINC001436868949 1065458213 /nfs/dbraw/zinc/45/82/13/1065458213.db2.gz WGUDZJKRTAUDLG-QFIPXVFZSA-N 0 0 452.576 4.837 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001436871108 1065458320 /nfs/dbraw/zinc/45/83/20/1065458320.db2.gz CCCYLWAYXKWUFL-DEOSSOPVSA-N 0 0 455.580 4.567 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)nnn1CCOc1ccc(F)cc1 ZINC001436871620 1065458388 /nfs/dbraw/zinc/45/83/88/1065458388.db2.gz AHZZKPLJOSUIKE-GHTZIAJQSA-N 0 0 456.949 4.914 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001436872745 1065459313 /nfs/dbraw/zinc/45/93/13/1065459313.db2.gz BUQZVBPVAGGKHH-LJQANCHMSA-N 0 0 459.384 4.783 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)N2CCCCC2)n1 ZINC001436872575 1065459335 /nfs/dbraw/zinc/45/93/35/1065459335.db2.gz OTFFYZYXTIKMCE-CYBMUJFWSA-N 0 0 456.395 4.703 20 0 JJADRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc(F)c(I)c1 ZINC001436872637 1065459365 /nfs/dbraw/zinc/45/93/65/1065459365.db2.gz IMIYIQTTZGRGQX-UHFFFAOYSA-N 0 0 458.296 4.576 20 0 JJADRN O=C(c1cc(Br)nn1-c1ncccc1Cl)N1CCCc2cccc(Cl)c21 ZINC001360512459 1065459415 /nfs/dbraw/zinc/45/94/15/1065459415.db2.gz BRWQDXIHVUOGJI-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN CCc1nc(C(=O)Nc2cc(Cl)cc(C(=O)OC)c2)nn1-c1c(Cl)cccc1Cl ZINC001360512923 1065459954 /nfs/dbraw/zinc/45/99/54/1065459954.db2.gz YODDGVYRHNDYNB-UHFFFAOYSA-N 0 0 453.713 4.829 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(Cl)c32)c1)c1ccccc1 ZINC001360513332 1065460018 /nfs/dbraw/zinc/46/00/18/1065460018.db2.gz VQRJYYAOHNLVFQ-QGZVFWFLSA-N 0 0 454.979 4.973 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1C ZINC001436873679 1065459963 /nfs/dbraw/zinc/45/99/63/1065459963.db2.gz FGOSWXHCVPBOMV-UHFFFAOYSA-N 0 0 454.704 4.611 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001436873096 1065459974 /nfs/dbraw/zinc/45/99/74/1065459974.db2.gz HJZNDPCIVTWGQV-UHFFFAOYSA-N 0 0 451.336 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC001436873948 1065460107 /nfs/dbraw/zinc/46/01/07/1065460107.db2.gz NNKMOCOIUNFGPJ-HXUWFJFHSA-N 0 0 459.568 4.646 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)c(F)c1 ZINC001436873802 1065460178 /nfs/dbraw/zinc/46/01/78/1065460178.db2.gz UXACSOFNNJWWNM-CQSZACIVSA-N 0 0 454.951 4.551 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 ZINC001436875557 1065460943 /nfs/dbraw/zinc/46/09/43/1065460943.db2.gz VRZIPONMTDNBEM-QMMMGPOBSA-N 0 0 459.222 4.559 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCC1 ZINC001360513561 1065460902 /nfs/dbraw/zinc/46/09/02/1065460902.db2.gz CCCBJKMWRKKBRJ-FQEVSTJZSA-N 0 0 493.656 4.870 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001360513970 1065463459 /nfs/dbraw/zinc/46/34/59/1065463459.db2.gz LAWBJXAOCHOWIH-RYQLBKOJSA-N 0 0 475.037 4.589 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccc2F)nnc1N(C)Cc1ccco1 ZINC001360513950 1065463550 /nfs/dbraw/zinc/46/35/50/1065463550.db2.gz KUHIAXGHFMRSTC-QGZVFWFLSA-N 0 0 457.550 4.817 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](CC)[C@@H]3CC3(C)C)c2)cc1 ZINC001436879470 1065463499 /nfs/dbraw/zinc/46/34/99/1065463499.db2.gz IBWGKDPGHZSDGM-GOTSBHOMSA-N 0 0 458.624 4.773 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](CC)[C@H]3CC3(C)C)c2)cc1 ZINC001436879471 1065463562 /nfs/dbraw/zinc/46/35/62/1065463562.db2.gz IBWGKDPGHZSDGM-PKTZIBPZSA-N 0 0 458.624 4.773 20 0 JJADRN O=C(N[C@H]1COCc2ccccc21)c1cc2cc(Br)cc(Br)c2o1 ZINC001436879519 1065464347 /nfs/dbraw/zinc/46/43/47/1065464347.db2.gz ULTABFMNZMBBOL-HNNXBMFYSA-N 0 0 451.114 4.959 20 0 JJADRN CCCN1C[C@@H](CNC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O ZINC001436882773 1065464402 /nfs/dbraw/zinc/46/44/02/1065464402.db2.gz BZMGDSZDEJBZRZ-CYBMUJFWSA-N 0 0 454.423 4.769 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C2CC2)C1 ZINC001360514188 1065465161 /nfs/dbraw/zinc/46/51/61/1065465161.db2.gz OVJUUOQMNZBQNN-LPHOPBHVSA-N 0 0 475.037 4.733 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001436894815 1065466107 /nfs/dbraw/zinc/46/61/07/1065466107.db2.gz AWRXHVHNUNXAPR-SJORKVTESA-N 0 0 452.580 4.578 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360514401 1065466884 /nfs/dbraw/zinc/46/68/84/1065466884.db2.gz SPVBUKLUEUKRNE-VQTJNVASSA-N 0 0 454.619 4.636 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)Nc2ncc(-c3cnccn3)s2)CC1 ZINC001436902373 1065466958 /nfs/dbraw/zinc/46/69/58/1065466958.db2.gz UZHPERQLUFWAAO-MRXNPFEDSA-N 0 0 457.600 4.746 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC1 ZINC001360514535 1065467546 /nfs/dbraw/zinc/46/75/46/1065467546.db2.gz VSNMFZQCNLCGFJ-GOSISDBHSA-N 0 0 464.614 4.843 20 0 JJADRN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc(Br)ncc1Br ZINC001436906341 1065467810 /nfs/dbraw/zinc/46/78/10/1065467810.db2.gz UQJZBPHRKLYSJQ-SFHVURJKSA-N 0 0 456.153 4.983 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)NC2(c3cccc(Br)c3)CCCCC2)c1 ZINC001436908395 1065467861 /nfs/dbraw/zinc/46/78/61/1065467861.db2.gz GRYQWMGZNVSXSN-UHFFFAOYSA-N 0 0 450.398 4.832 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001436908019 1065467887 /nfs/dbraw/zinc/46/78/87/1065467887.db2.gz ALXLMYYHPOLKCI-HNAYVOBHSA-N 0 0 457.368 4.745 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1CCc2ccccc2[C@@H]1C ZINC001360514594 1065468299 /nfs/dbraw/zinc/46/82/99/1065468299.db2.gz WUFVPANZFCPHMC-UXHICEINSA-N 0 0 478.641 4.910 20 0 JJADRN CO[C@H](C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1ccccc1Br ZINC001436909384 1065468621 /nfs/dbraw/zinc/46/86/21/1065468621.db2.gz GOGQAOVZICVWIN-KRWDZBQOSA-N 0 0 454.246 4.980 20 0 JJADRN CO[C@@H](C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1ccccc1Br ZINC001436909390 1065468642 /nfs/dbraw/zinc/46/86/42/1065468642.db2.gz GOGQAOVZICVWIN-QGZVFWFLSA-N 0 0 454.246 4.980 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001360514679 1065469174 /nfs/dbraw/zinc/46/91/74/1065469174.db2.gz XWNVFTSIAUBIPE-NFBKMPQASA-N 0 0 476.625 4.837 20 0 JJADRN CCc1c(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)cnn1-c1ccc(OC)cc1 ZINC001436914972 1065469699 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C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccsc1)c1nccs1 ZINC001360534896 1065516109 /nfs/dbraw/zinc/51/61/09/1065516109.db2.gz JOAAKULGPFBIDO-GFCCVEGCSA-N 0 0 463.430 4.994 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001437181135 1065517194 /nfs/dbraw/zinc/51/71/94/1065517194.db2.gz XLROPVLZCCXTOZ-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)c1cccs1)N1CCOCC1 ZINC001360535445 1065517243 /nfs/dbraw/zinc/51/72/43/1065517243.db2.gz DEFHCRQVYRTUBY-IAGOWNOFSA-N 0 0 477.581 4.526 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCOCC1 ZINC001360535444 1065517382 /nfs/dbraw/zinc/51/73/82/1065517382.db2.gz DEFHCRQVYRTUBY-DLBZAZTESA-N 0 0 477.581 4.526 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc(Br)cc1Br ZINC001437184287 1065517954 /nfs/dbraw/zinc/51/79/54/1065517954.db2.gz YQDNGHQXZGKBGI-UHFFFAOYSA-N 0 0 454.162 4.944 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(C)(C)C)CC1)N1CCOCC1 ZINC001360536142 1065518587 /nfs/dbraw/zinc/51/85/87/1065518587.db2.gz VDVDHUUPAOWLEM-GOSISDBHSA-N 0 0 488.474 4.611 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(C)(C)C)CC1)N1CCOCC1 ZINC001360536143 1065518720 /nfs/dbraw/zinc/51/87/20/1065518720.db2.gz VDVDHUUPAOWLEM-SFHVURJKSA-N 0 0 488.474 4.611 20 0 JJADRN O=C(c1cccnc1N1CCCCC1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437193155 1065519103 /nfs/dbraw/zinc/51/91/03/1065519103.db2.gz PDRQIRABQMFGQY-UHFFFAOYSA-N 0 0 453.801 4.995 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1)Oc1ccccc1F ZINC001360536304 1065519207 /nfs/dbraw/zinc/51/92/07/1065519207.db2.gz WFUOSPKZRITWCX-HNNXBMFYSA-N 0 0 488.361 4.882 20 0 JJADRN CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)ccn1 ZINC001437193730 1065519508 /nfs/dbraw/zinc/51/95/08/1065519508.db2.gz RTDMGLMUNIVEAL-UHFFFAOYSA-N 0 0 455.773 4.599 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(C)(C)C1)Oc1ccc(F)cc1 ZINC001360536767 1065520159 /nfs/dbraw/zinc/52/01/59/1065520159.db2.gz PXSXTWVSNTWSSE-CQSZACIVSA-N 0 0 494.434 4.974 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)C(=O)OCc3ccccc3)cc12 ZINC001437215157 1065520760 /nfs/dbraw/zinc/52/07/60/1065520760.db2.gz SIZMVCJLINEOEG-OAHLLOKOSA-N 0 0 453.951 4.911 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC001437218008 1065521274 /nfs/dbraw/zinc/52/12/74/1065521274.db2.gz RVIQBTGQIDYXPI-SCLBCKFNSA-N 0 0 455.725 4.592 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)[nH]c(=O)c2c1C ZINC001360537638 1065521276 /nfs/dbraw/zinc/52/12/76/1065521276.db2.gz ITQGYCZTSTWGKA-RKVPGOIHSA-N 0 0 451.658 4.593 20 0 JJADRN O=C(Nc1nn(-c2ccc(F)cc2)c2c1CCC2)C(F)(F)c1ccc(Br)cc1 ZINC001437222774 1065521855 /nfs/dbraw/zinc/52/18/55/1065521855.db2.gz ANQXRSMZVUGWKD-UHFFFAOYSA-N 0 0 450.258 4.993 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001437223144 1065521902 /nfs/dbraw/zinc/52/19/02/1065521902.db2.gz DRMCYHMJQUQHMY-UHFFFAOYSA-N 0 0 450.783 4.517 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CCCOc2cccc3ccccc32)ccc1F ZINC001360538019 1065522419 /nfs/dbraw/zinc/52/24/19/1065522419.db2.gz BYQJWCLLEJJFBD-UHFFFAOYSA-N 0 0 458.555 4.853 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001360538072 1065522447 /nfs/dbraw/zinc/52/24/47/1065522447.db2.gz QAQXBJWRMUVAFQ-WJOKGBTCSA-N 0 0 454.914 4.620 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)C(C)C)cc1 ZINC001360538529 1065522804 /nfs/dbraw/zinc/52/28/04/1065522804.db2.gz UOUHCPJOHQUPFQ-NRUKRWIHSA-N 0 0 454.636 4.970 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC001437228449 1065523026 /nfs/dbraw/zinc/52/30/26/1065523026.db2.gz FBENDXMGTIXLMB-GOSISDBHSA-N 0 0 454.533 4.822 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)ccc1Cl ZINC001360538764 1065523330 /nfs/dbraw/zinc/52/33/30/1065523330.db2.gz PPQJUQNEZPCMCZ-INIZCTEOSA-N 0 0 450.988 4.525 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001360539142 1065523403 /nfs/dbraw/zinc/52/34/03/1065523403.db2.gz XGXQJBWTGIOTFV-INIZCTEOSA-N 0 0 455.395 4.951 20 0 JJADRN Cc1cc(C(=O)NCC2(c3cccc(Br)c3)CCCC2)c(C)n1-c1cnn(C)c1 ZINC001545905354 1065523665 /nfs/dbraw/zinc/52/36/65/1065523665.db2.gz ZEBABTJTZIQKFO-UHFFFAOYSA-N 0 0 455.400 4.832 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1)Oc1ccccc1 ZINC001360539733 1065523866 /nfs/dbraw/zinc/52/38/66/1065523866.db2.gz ABAVTNBGLOKMPP-OAHLLOKOSA-N 0 0 487.427 4.607 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC1CCOCC1)Oc1ccc(F)cc1 ZINC001360540079 1065524241 /nfs/dbraw/zinc/52/42/41/1065524241.db2.gz ADCWBODQUHAJOI-QGZVFWFLSA-N 0 0 473.980 4.853 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001437235593 1065524280 /nfs/dbraw/zinc/52/42/80/1065524280.db2.gz LSMOLQKWPUXUGI-PBXXJUDPSA-N 0 0 456.627 4.725 20 0 JJADRN Cc1c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1F ZINC001437241154 1065524362 /nfs/dbraw/zinc/52/43/62/1065524362.db2.gz FWBFLHXGCNEAEM-IBGZPJMESA-N 0 0 456.493 4.533 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC001437234410 1065524486 /nfs/dbraw/zinc/52/44/86/1065524486.db2.gz QVPCLPQZWAXRSJ-GOSISDBHSA-N 0 0 453.951 4.646 20 0 JJADRN Cc1c(NC(=O)c2cnn(-c3ccccc3)c2Br)cnn1-c1ccc(F)cc1F ZINC001437247005 1065525047 /nfs/dbraw/zinc/52/50/47/1065525047.db2.gz UWSDDLINARJJCO-UHFFFAOYSA-N 0 0 458.266 4.659 20 0 JJADRN COc1cc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c(C2CC2)cc1Cl ZINC001437251709 1065525572 /nfs/dbraw/zinc/52/55/72/1065525572.db2.gz XZAROLBTJNICOU-UHFFFAOYSA-N 0 0 452.732 4.941 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001437253129 1065525592 /nfs/dbraw/zinc/52/55/92/1065525592.db2.gz JLVAIYFSZUMCJU-HNNXBMFYSA-N 0 0 454.313 4.611 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3ncc4[nH]ccc4c3Br)cc2)c1 ZINC001437254265 1065526111 /nfs/dbraw/zinc/52/61/11/1065526111.db2.gz UKKMUEMWGDFBOD-UHFFFAOYSA-N 0 0 450.292 4.817 20 0 JJADRN COC(OC)[C@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC001437255518 1065526153 /nfs/dbraw/zinc/52/61/53/1065526153.db2.gz SDASARHCMPKFJZ-JOCHJYFZSA-N 0 0 451.910 4.876 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)OCc1ncc(Br)cc1Cl ZINC001437257320 1065526238 /nfs/dbraw/zinc/52/62/38/1065526238.db2.gz SXFNPCZOKAGPIX-UHFFFAOYSA-N 0 0 453.745 4.819 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 ZINC001360540735 1065526149 /nfs/dbraw/zinc/52/61/49/1065526149.db2.gz GDBCKPLTHXBBPD-DLBZAZTESA-N 0 0 478.950 4.870 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545905767 1065526654 /nfs/dbraw/zinc/52/66/54/1065526654.db2.gz IYMJNBKRIKQKBX-ICSRJNTNSA-N 0 0 499.622 4.962 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)[nH]1)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001437265621 1065527144 /nfs/dbraw/zinc/52/71/44/1065527144.db2.gz YYJIAKYCBKCGPP-UHFFFAOYSA-N 0 0 450.340 4.728 20 0 JJADRN Cc1cccc2cc(C(=O)N(Cc3ncc[nH]3)c3cncc(Br)c3)c(Cl)nc12 ZINC001437264839 1065527182 /nfs/dbraw/zinc/52/71/82/1065527182.db2.gz UEIYNHKPQWZCCE-UHFFFAOYSA-N 0 0 456.731 4.924 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1ccc(COC)cc1 ZINC001545905793 1065527204 /nfs/dbraw/zinc/52/72/04/1065527204.db2.gz JLUQHMGLGUDSPA-MHZLTWQESA-N 0 0 465.642 4.718 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccon1)Oc1ccc(Cl)cc1 ZINC001360541239 1065527333 /nfs/dbraw/zinc/52/73/33/1065527333.db2.gz JSMLEDLEWJLRCK-AWEZNQCLSA-N 0 0 459.337 4.739 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC001437268568 1065527856 /nfs/dbraw/zinc/52/78/56/1065527856.db2.gz CECMMFCHBVSVJJ-HNNXBMFYSA-N 0 0 451.361 4.859 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCC[C@@H]2CC2(Cl)Cl)[C@@H]1c1ccccc1OC ZINC001437272724 1065528430 /nfs/dbraw/zinc/52/84/30/1065528430.db2.gz LSYXOCWVRMFYDP-MMOPVJDHSA-N 0 0 455.426 4.865 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOC(C)(C)C)Oc1ccccc1F ZINC001360541552 1065528698 /nfs/dbraw/zinc/52/86/98/1065528698.db2.gz LUTSCPHPDFHDAL-INIZCTEOSA-N 0 0 461.969 4.851 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2)c1 ZINC001437278630 1065528731 /nfs/dbraw/zinc/52/87/31/1065528731.db2.gz YCEBHFAUEVLIOR-KRWDZBQOSA-N 0 0 456.391 4.775 20 0 JJADRN Cc1c(NC(=O)c2ncc(Br)cc2Br)cnn1-c1ccc(C)cc1 ZINC001437281310 1065528766 /nfs/dbraw/zinc/52/87/66/1065528766.db2.gz ZRAUIZRKFOSOJU-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1c(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cnn1-c1ccc(C)cc1 ZINC001437280039 1065528844 /nfs/dbraw/zinc/52/88/44/1065528844.db2.gz OBHJLXSECNLFDD-UHFFFAOYSA-N 0 0 458.493 4.898 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001437284987 1065530430 /nfs/dbraw/zinc/53/04/30/1065530430.db2.gz WPFODYAHQPFCEZ-UHFFFAOYSA-N 0 0 453.674 4.702 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C2CCC1(C)CC2)N(C)C(=O)OC(C)(C)C ZINC001360541930 1065530447 /nfs/dbraw/zinc/53/04/47/1065530447.db2.gz PFBKQPVOZVEECK-POFQCLBPSA-N 0 0 461.010 4.770 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360542056 1065530467 /nfs/dbraw/zinc/53/04/67/1065530467.db2.gz QLPFVLFWOGTMTD-HBUWYVDXSA-N 0 0 499.896 4.756 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001437285106 1065530575 /nfs/dbraw/zinc/53/05/75/1065530575.db2.gz UCOCMTMSVSETMC-UWHLTILDSA-N 0 0 458.599 4.756 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N1CCOCC1 ZINC001360542256 1065531553 /nfs/dbraw/zinc/53/15/53/1065531553.db2.gz ZBIBKFJXOOCDSD-LSDHHAIUSA-N 0 0 496.500 4.749 20 0 JJADRN Cc1ccc(N(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C(C)C)cc1Br ZINC001437287045 1065531721 /nfs/dbraw/zinc/53/17/21/1065531721.db2.gz QTIAWZAPVMFWPK-UHFFFAOYSA-N 0 0 456.384 4.916 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CCCCC1 ZINC001437286837 1065531764 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JQPFNTWOQQUBNK-IRXDYDNUSA-N 0 0 452.559 4.643 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CC2 ZINC001437301327 1065534303 /nfs/dbraw/zinc/53/43/03/1065534303.db2.gz RSSBWFVKUOVBOT-PGRDOPGGSA-N 0 0 455.396 4.722 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360544744 1065534349 /nfs/dbraw/zinc/53/43/49/1065534349.db2.gz OXZPOBQLBGFZFQ-LJQANCHMSA-N 0 0 487.620 4.879 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N2c3ccc(F)cc3NC(=O)C23CCC3)c1 ZINC001437306945 1065535061 /nfs/dbraw/zinc/53/50/61/1065535061.db2.gz XRJUDJRHZVWJHS-UHFFFAOYSA-N 0 0 457.933 4.663 20 0 JJADRN Cc1ccc(N(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)C(C)C)cc1Br ZINC001437305460 1065535108 /nfs/dbraw/zinc/53/51/08/1065535108.db2.gz WXQLGAJECLGOKM-OAHLLOKOSA-N 0 0 456.377 4.748 20 0 JJADRN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)C1 ZINC001437313364 1065535468 /nfs/dbraw/zinc/53/54/68/1065535468.db2.gz AMLONYOLRYNXDL-GMDREZAJSA-N 0 0 463.327 4.719 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1)N(C)C(=O)OC(C)(C)C ZINC001360545256 1065536183 /nfs/dbraw/zinc/53/61/83/1065536183.db2.gz YLWNWKQZWOMZLG-NZQKXSOJSA-N 0 0 495.624 4.979 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)C1 ZINC001437314212 1065536485 /nfs/dbraw/zinc/53/64/85/1065536485.db2.gz DQBSMMALGVGPCG-DENIHFKCSA-N 0 0 450.526 4.664 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001360545477 1065536537 /nfs/dbraw/zinc/53/65/37/1065536537.db2.gz DPQVCWDKCZQWEU-KRWDZBQOSA-N 0 0 458.006 4.798 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360545433 1065536654 /nfs/dbraw/zinc/53/66/54/1065536654.db2.gz CTXDBXXTDBULPL-RXVVDRJESA-N 0 0 482.604 4.672 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cc(Br)cn3ccnc23)cc1 ZINC001360545957 1065537003 /nfs/dbraw/zinc/53/70/03/1065537003.db2.gz ABKMVESGKOLTAZ-UHFFFAOYSA-N 0 0 452.308 4.828 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360546267 1065537458 /nfs/dbraw/zinc/53/74/58/1065537458.db2.gz PYNLICGXJZQOCE-ROUUACIJSA-N 0 0 470.643 4.942 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001437328365 1065537777 /nfs/dbraw/zinc/53/77/77/1065537777.db2.gz CILZNZYTCSILFQ-QGZVFWFLSA-N 0 0 456.468 4.808 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360546518 1065538015 /nfs/dbraw/zinc/53/80/15/1065538015.db2.gz SBOMGAHLQUQWTL-QZTJIDSGSA-N 0 0 450.587 4.620 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 ZINC001360546960 1065538038 /nfs/dbraw/zinc/53/80/38/1065538038.db2.gz UIXFNYKIPNPCAY-UHFFFAOYSA-N 0 0 451.523 4.686 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546687 1065538087 /nfs/dbraw/zinc/53/80/87/1065538087.db2.gz UAZGWMQAOGECDH-CTNGQTDRSA-N 0 0 464.614 4.533 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360546519 1065538150 /nfs/dbraw/zinc/53/81/50/1065538150.db2.gz SBOMGAHLQUQWTL-ROUUACIJSA-N 0 0 450.587 4.620 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546943 1065538709 /nfs/dbraw/zinc/53/87/09/1065538709.db2.gz WZWWCOJJKSFAFZ-CTNGQTDRSA-N 0 0 462.598 4.589 20 0 JJADRN CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)[C@H](C)CO1 ZINC001437339799 1065538951 /nfs/dbraw/zinc/53/89/51/1065538951.db2.gz YZSUBHWRTOVHAU-UZLBHIALSA-N 0 0 454.368 4.941 20 0 JJADRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(Cl)cccc2Oc2cc(C)cc(C)c2)C1 ZINC001437344714 1065539560 /nfs/dbraw/zinc/53/95/60/1065539560.db2.gz IEHZXCQSSSABIF-KRWDZBQOSA-N 0 0 450.988 4.749 20 0 JJADRN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)nn1 ZINC001437347881 1065539889 /nfs/dbraw/zinc/53/98/89/1065539889.db2.gz MQVIRLPNVUGYTA-UHFFFAOYSA-N 0 0 457.328 4.700 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC001437345866 1065539933 /nfs/dbraw/zinc/53/99/33/1065539933.db2.gz FEJDUEAGEQUMQA-LJQANCHMSA-N 0 0 456.464 4.832 20 0 JJADRN Cc1c(Br)scc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001437347985 1065539964 /nfs/dbraw/zinc/53/99/64/1065539964.db2.gz NEALHNQJNWZSEN-UHFFFAOYSA-N 0 0 457.365 4.913 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360548933 1065540123 /nfs/dbraw/zinc/54/01/23/1065540123.db2.gz IMLFYYBHTWBAKZ-VIZSFHNOSA-N 0 0 476.625 4.978 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NCc1cccc(Oc2ccccc2F)c1)NC(C)=O ZINC001437348363 1065540559 /nfs/dbraw/zinc/54/05/59/1065540559.db2.gz PJYXBRKOELSRJM-HSZRJFAPSA-N 0 0 450.510 4.900 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@]2(CC=CCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360549334 1065540734 /nfs/dbraw/zinc/54/07/34/1065540734.db2.gz QHGSJWQFBAEEAG-IBVKSMDESA-N 0 0 466.630 4.922 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3F)c21 ZINC001437352403 1065540770 /nfs/dbraw/zinc/54/07/70/1065540770.db2.gz ZVGSHQJTWBDJAA-UHFFFAOYSA-N 0 0 455.530 4.589 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360549670 1065541404 /nfs/dbraw/zinc/54/14/04/1065541404.db2.gz WQOMVCBLMLLJMU-IBGZPJMESA-N 0 0 466.655 4.537 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccsc1)N(C)C(=O)OC(C)(C)C ZINC001360549501 1065541426 /nfs/dbraw/zinc/54/14/26/1065541426.db2.gz TYUSEUIPXMTEGR-YLJYHZDGSA-N 0 0 468.627 4.999 20 0 JJADRN Cc1c(NC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)cnn1-c1ccc(F)cc1 ZINC001437360116 1065541608 /nfs/dbraw/zinc/54/16/08/1065541608.db2.gz LCRYLAUJJCHVPM-UHFFFAOYSA-N 0 0 450.514 4.745 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)c1ccccc1F ZINC001545906451 1065541707 /nfs/dbraw/zinc/54/17/07/1065541707.db2.gz ZDBJPOZJDJBLKN-UHFFFAOYSA-N 0 0 485.648 4.710 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1Cc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360549954 1065541739 /nfs/dbraw/zinc/54/17/39/1065541739.db2.gz CKHVRTVFHPAYNR-QZTJIDSGSA-N 0 0 470.643 4.802 20 0 JJADRN COc1cc(C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc(OC)c1Br ZINC001437362327 1065542281 /nfs/dbraw/zinc/54/22/81/1065542281.db2.gz ZXJHCWZHNJYSAB-UHFFFAOYSA-N 0 0 456.377 4.631 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550799 1065542286 /nfs/dbraw/zinc/54/22/86/1065542286.db2.gz RTMIJFOZSBASGL-PMACEKPBSA-N 0 0 480.613 4.576 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1 ZINC001360551351 1065542816 /nfs/dbraw/zinc/54/28/16/1065542816.db2.gz LZSVZOSLJYHHSF-UHFFFAOYSA-N 0 0 459.568 4.917 20 0 JJADRN CCCCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@@H]1CCc2ncsc2C1 ZINC001437368427 1065542920 /nfs/dbraw/zinc/54/29/20/1065542920.db2.gz PAWUGMUDQJYHEE-GOSISDBHSA-N 0 0 456.539 4.614 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC001360551742 1065543038 /nfs/dbraw/zinc/54/30/38/1065543038.db2.gz XSNRWLXXDNKLDR-OUKQBFOZSA-N 0 0 453.564 4.827 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)NCCNC(=O)c3c(F)cccc3F)c2cc1C ZINC001360552030 1065543485 /nfs/dbraw/zinc/54/34/85/1065543485.db2.gz GZNSCPSMYOQOFJ-UHFFFAOYSA-N 0 0 459.496 4.957 20 0 JJADRN C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC1CCC1)N(C)C(=O)OC(C)(C)C ZINC001360552780 1065543989 /nfs/dbraw/zinc/54/39/89/1065543989.db2.gz AVERZCDYHUOGSX-KRWDZBQOSA-N 0 0 452.603 4.918 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cccnc2SCC2CCCCC2)c2cnccc21 ZINC001437376297 1065544531 /nfs/dbraw/zinc/54/45/31/1065544531.db2.gz KDGMCOHJPVQLBT-UHFFFAOYSA-N 0 0 455.605 4.958 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360553727 1065544696 /nfs/dbraw/zinc/54/46/96/1065544696.db2.gz CLNZVDFUOBXBLI-XLIONFOSSA-N 0 0 485.604 4.649 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001360553835 1065544805 /nfs/dbraw/zinc/54/48/05/1065544805.db2.gz DFFAKVDGCRZQST-QGZVFWFLSA-N 0 0 473.593 4.598 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1cccc(F)c1 ZINC001360554316 1065545141 /nfs/dbraw/zinc/54/51/41/1065545141.db2.gz IPGNINGDRMPUFK-GFCCVEGCSA-N 0 0 455.481 4.874 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360554216 1065545281 /nfs/dbraw/zinc/54/52/81/1065545281.db2.gz HIPGHMVBYRIZBL-QZTJIDSGSA-N 0 0 457.644 4.687 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)N(C)C(=O)OC(C)(C)C ZINC001360554791 1065545779 /nfs/dbraw/zinc/54/57/79/1065545779.db2.gz NTXTVJLEYZZORT-FUHWJXTLSA-N 0 0 476.021 4.722 20 0 JJADRN O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)C1(c2cncc(Br)c2)CC1 ZINC001437383887 1065545984 /nfs/dbraw/zinc/54/59/84/1065545984.db2.gz YYKQNYUUQROKDF-UHFFFAOYSA-N 0 0 455.183 4.531 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(S(C)(=O)=O)c3ccncc23)s1 ZINC001437384130 1065546068 /nfs/dbraw/zinc/54/60/68/1065546068.db2.gz 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ZINC001360582451 1065579705 /nfs/dbraw/zinc/57/97/05/1065579705.db2.gz OLAUWWHNADUVIT-FPOVZHCZSA-N 0 0 469.655 4.944 20 0 JJADRN CCc1nnnn1-c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC001360581687 1065579722 /nfs/dbraw/zinc/57/97/22/1065579722.db2.gz WVANKNMHYIULAC-UHFFFAOYSA-N 0 0 455.305 4.971 20 0 JJADRN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360582894 1065580045 /nfs/dbraw/zinc/58/00/45/1065580045.db2.gz RWYMKBUOWCCDOR-GMAHTHKFSA-N 0 0 499.700 4.960 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC001437578474 1065580219 /nfs/dbraw/zinc/58/02/19/1065580219.db2.gz MBLIJVQANQRQQG-QGZVFWFLSA-N 0 0 459.493 4.763 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC001437580402 1065580642 /nfs/dbraw/zinc/58/06/42/1065580642.db2.gz BYQQZKSJZHGFNB-OAHLLOKOSA-N 0 0 457.361 4.708 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c1cccc2OC ZINC001437581900 1065581139 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CS(=O)(=O)CCOc1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001437609391 1065584889 /nfs/dbraw/zinc/58/48/89/1065584889.db2.gz QIGKIAWQAHUYDK-JOCHJYFZSA-N 0 0 459.951 4.522 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cs2)cc1 ZINC001360584625 1065584940 /nfs/dbraw/zinc/58/49/40/1065584940.db2.gz FWKYVKCRKNHLNU-LJQANCHMSA-N 0 0 455.967 4.786 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001360585716 1065585550 /nfs/dbraw/zinc/58/55/50/1065585550.db2.gz PXHUMBBQDAKEKC-CYBMUJFWSA-N 0 0 456.167 4.734 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001360585986 1065586084 /nfs/dbraw/zinc/58/60/84/1065586084.db2.gz AEZXXPCTMAHRFY-KWLWEVDOSA-N 0 0 487.620 4.890 20 0 JJADRN C[C@@H](Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360586280 1065586105 /nfs/dbraw/zinc/58/61/05/1065586105.db2.gz CORXDAJPNYVLDM-INIZCTEOSA-N 0 0 488.995 4.673 20 0 JJADRN 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ZINC001437668821 1065589744 /nfs/dbraw/zinc/58/97/44/1065589744.db2.gz SZYIJKJXFKDDHP-NADMHLTPSA-N 0 0 458.761 4.559 20 0 JJADRN CC(C)(C)OC(=O)c1cccnc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001437666988 1065589869 /nfs/dbraw/zinc/58/98/69/1065589869.db2.gz XJUIZIGTINWTTC-UHFFFAOYSA-N 0 0 459.481 4.676 20 0 JJADRN O=C(Nc1nccc(F)c1I)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001437670521 1065590292 /nfs/dbraw/zinc/59/02/92/1065590292.db2.gz ZZAUCSXXCRDPBZ-UHFFFAOYSA-N 0 0 450.173 4.514 20 0 JJADRN CC[C@@H](OC(=O)c1cc(Br)nc(Br)c1)c1cc(OC)cc(OC)c1 ZINC001437669308 1065590321 /nfs/dbraw/zinc/59/03/21/1065590321.db2.gz ARBXRHFXUHPTSW-CQSZACIVSA-N 0 0 459.134 4.932 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)/C(C)=C/C1CCC(C)CC1 ZINC001437669822 1065590337 /nfs/dbraw/zinc/59/03/37/1065590337.db2.gz VRDKXYGFHVDNRB-KYUBUUTCSA-N 0 0 452.389 4.903 20 0 JJADRN CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC001437679354 1065590718 /nfs/dbraw/zinc/59/07/18/1065590718.db2.gz NIVHSWNNMNPWSG-UHFFFAOYSA-N 0 0 453.974 4.547 20 0 JJADRN O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)N1CCCc2cc[nH]c(=O)c21 ZINC001437679421 1065590932 /nfs/dbraw/zinc/59/09/32/1065590932.db2.gz OCCWPTZEHDXSEK-UHFFFAOYSA-N 0 0 456.346 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3ccc4c(c3)CC(C)(C)O4)cc2)C1 ZINC001437686780 1065591526 /nfs/dbraw/zinc/59/15/26/1065591526.db2.gz OGVFVZHTYTZURZ-QFIPXVFZSA-N 0 0 452.551 4.961 20 0 JJADRN C[C@@H](COCC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001437689974 1065591935 /nfs/dbraw/zinc/59/19/35/1065591935.db2.gz YZDKILNUEHBCJE-CVDCTZTESA-N 0 0 454.567 4.754 20 0 JJADRN C[C@H](COCC(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001437689967 1065592072 /nfs/dbraw/zinc/59/20/72/1065592072.db2.gz YZDKILNUEHBCJE-AUSIDOKSSA-N 0 0 454.567 4.754 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)[C@H](c1cccc(Br)c1)N1CCCC1)CCC2 ZINC001437692182 1065592123 /nfs/dbraw/zinc/59/21/23/1065592123.db2.gz JFNXWBGIIJVIKW-QFIPXVFZSA-N 0 0 459.384 4.583 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCCc3nc(-c4cccc(Cl)c4)no3)s2)cc1 ZINC001360589484 1065593804 /nfs/dbraw/zinc/59/38/04/1065593804.db2.gz GWKDWLXRBJJEOR-UHFFFAOYSA-N 0 0 454.939 4.803 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC2)c1 ZINC001437706492 1065593865 /nfs/dbraw/zinc/59/38/65/1065593865.db2.gz YHZXGJNLNXGYLR-NRFANRHFSA-N 0 0 458.599 4.564 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NCc2c(Cl)oc3ccccc32)=NN1c1ccccc1 ZINC001437705410 1065594086 /nfs/dbraw/zinc/59/40/86/1065594086.db2.gz WNARSTWFPUODCI-IBGZPJMESA-N 0 0 453.926 4.679 20 0 JJADRN COc1cc2c(cc1CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)O[C@@H](C)C2 ZINC001545908949 1065594561 /nfs/dbraw/zinc/59/45/61/1065594561.db2.gz RRSJMZMOFDSPIA-MFEFFIJZSA-N 0 0 454.567 4.537 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(Br)c1)c1nccs1 ZINC001360590138 1065594916 /nfs/dbraw/zinc/59/49/16/1065594916.db2.gz DAKIAZLTDLIWRD-RHSMWYFYSA-N 0 0 462.417 4.789 20 0 JJADRN 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C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C)Oc1cccc(F)c1 ZINC001360590863 1065596795 /nfs/dbraw/zinc/59/67/95/1065596795.db2.gz RPHNTFQWCUYGKW-OPYAIIAOSA-N 0 0 473.593 4.945 20 0 JJADRN O=C(c1cccc(OCc2cscn2)c1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001437734251 1065596857 /nfs/dbraw/zinc/59/68/57/1065596857.db2.gz SPYMDBMFHXTBLC-FQEVSTJZSA-N 0 0 459.365 4.698 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001437737529 1065596954 /nfs/dbraw/zinc/59/69/54/1065596954.db2.gz SJNJMMIVFRRYKA-HNNXBMFYSA-N 0 0 458.818 4.936 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2cccc3c2OCC3)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001437737545 1065597091 /nfs/dbraw/zinc/59/70/91/1065597091.db2.gz NBXMAMVYGQTVPT-UHFFFAOYSA-N 0 0 456.420 4.910 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001437732790 1065597349 /nfs/dbraw/zinc/59/73/49/1065597349.db2.gz ONLYJYKAHBJMDO-SFHVURJKSA-N 0 0 451.748 4.500 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccc(F)cc1 ZINC001360591072 1065597886 /nfs/dbraw/zinc/59/78/86/1065597886.db2.gz WGUHZNKZXJCQGG-CZUORRHYSA-N 0 0 485.507 4.848 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360591144 1065597919 /nfs/dbraw/zinc/59/79/19/1065597919.db2.gz XROJORPTKZUHEV-TXTKFYIRSA-N 0 0 485.698 4.688 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001437740236 1065598179 /nfs/dbraw/zinc/59/81/79/1065598179.db2.gz CBSGHRMHPFPQQR-IBGZPJMESA-N 0 0 458.967 4.528 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001437742759 1065598427 /nfs/dbraw/zinc/59/84/27/1065598427.db2.gz HGIDUEXKUAACSR-KRWDZBQOSA-N 0 0 457.137 4.873 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H](CCc1ccccc1)C(F)F)c1ccc(F)cc1 ZINC001437744429 1065598842 /nfs/dbraw/zinc/59/88/42/1065598842.db2.gz RQYWUDQYIBECRX-WOJBJXKFSA-N 0 0 450.501 4.817 20 0 JJADRN O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCc2sc(Br)cc2C1 ZINC001437748354 1065599962 /nfs/dbraw/zinc/59/99/62/1065599962.db2.gz GIDXLIRJCIGKOX-UHFFFAOYSA-N 0 0 456.287 4.914 20 0 JJADRN O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1cc2c(c(Br)c1)OCO2 ZINC001437747560 1065600044 /nfs/dbraw/zinc/60/00/44/1065600044.db2.gz BKEOPWZXHZAMHE-UHFFFAOYSA-N 0 0 450.173 4.961 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001437750748 1065600684 /nfs/dbraw/zinc/60/06/84/1065600684.db2.gz KNPWTPVAKAHKBZ-UHFFFAOYSA-N 0 0 452.486 4.636 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2c(I)ccc(Br)c2F)C1 ZINC001437752162 1065600802 /nfs/dbraw/zinc/60/08/02/1065600802.db2.gz VEFZQGWICJAFDE-NXEZZACHSA-N 0 0 454.121 4.844 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cc1Cl ZINC001437750993 1065600816 /nfs/dbraw/zinc/60/08/16/1065600816.db2.gz UVFTVVAPPXBQSZ-GOSISDBHSA-N 0 0 453.764 4.746 20 0 JJADRN Cc1sc2ncn(CCC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c(=O)c2c1C ZINC001437755127 1065601251 /nfs/dbraw/zinc/60/12/51/1065601251.db2.gz YUWOIYPAWWNWDR-UHFFFAOYSA-N 0 0 457.440 4.635 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)n(-c2ccccc2)n1 ZINC001545909218 1065601390 /nfs/dbraw/zinc/60/13/90/1065601390.db2.gz YTEUXTLJEVKYDF-XMSQKQJNSA-N 0 0 456.631 4.803 20 0 JJADRN CN(C(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1nc2cc(Br)ccc2s1 ZINC001437755845 1065602275 /nfs/dbraw/zinc/60/22/75/1065602275.db2.gz XCRPOYNMXFAUGY-IBGZPJMESA-N 0 0 458.381 4.775 20 0 JJADRN COc1cc(C(=O)Nc2nccc(C3CC3)n2)ccc1OCc1ccc(Br)cc1 ZINC001437770714 1065602974 /nfs/dbraw/zinc/60/29/74/1065602974.db2.gz XGHGDZASARZCPB-UHFFFAOYSA-N 0 0 454.324 4.956 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1CC=CC1 ZINC001437766878 1065603043 /nfs/dbraw/zinc/60/30/43/1065603043.db2.gz UPZBBRQHHSEHIT-DEOSSOPVSA-N 0 0 450.579 4.784 20 0 JJADRN Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001437766482 1065603055 /nfs/dbraw/zinc/60/30/55/1065603055.db2.gz IIKHTYDGZUYCLO-GOSISDBHSA-N 0 0 455.530 4.972 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)c1csc(I)c1 ZINC001437783199 1065605238 /nfs/dbraw/zinc/60/52/38/1065605238.db2.gz WAIIFRZWQYFDSU-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437788772 1065606076 /nfs/dbraw/zinc/60/60/76/1065606076.db2.gz AANVAZQWKZPCDK-XMTFNYHQSA-N 0 0 450.542 4.666 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)/C(C)=C/c3cccc(Cl)c3)cc2)CC1 ZINC001360595691 1065607628 /nfs/dbraw/zinc/60/76/28/1065607628.db2.gz CTVHEPVNMXNFOM-BMRADRMJSA-N 0 0 454.954 4.797 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)N(C(=O)OCc2ccccc2)C1 ZINC001360595747 1065607664 /nfs/dbraw/zinc/60/76/64/1065607664.db2.gz DZJOFWRZTXLZEL-UBFVSLLYSA-N 0 0 450.579 4.865 20 0 JJADRN Cc1ccc(NC(=O)c2c(C)ccc(Br)c2C)cc1S(=O)(=O)NC(C)(C)C ZINC001360595867 1065608355 /nfs/dbraw/zinc/60/83/55/1065608355.db2.gz IWDBRZBRUDUZLX-UHFFFAOYSA-N 0 0 453.402 4.703 20 0 JJADRN Cn1cc(CCNC(=O)CCc2ncc(-c3ccccc3Br)o2)c2ccccc21 ZINC001437793849 1065608419 /nfs/dbraw/zinc/60/84/19/1065608419.db2.gz KGKRPMOREFVSGR-UHFFFAOYSA-N 0 0 452.352 4.887 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437794280 1065608514 /nfs/dbraw/zinc/60/85/14/1065608514.db2.gz SSTFHSPZIDOZNZ-XFQXTVEOSA-N 0 0 481.431 4.685 20 0 JJADRN COCCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001437793554 1065608595 /nfs/dbraw/zinc/60/85/95/1065608595.db2.gz QQUMLZKSVNJUIJ-DYESRHJHSA-N 0 0 469.022 4.911 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)o2)cc1 ZINC001360596386 1065609030 /nfs/dbraw/zinc/60/90/30/1065609030.db2.gz YWSBKJJBPHOCBI-UHFFFAOYSA-N 0 0 455.580 4.607 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 ZINC001437794922 1065609256 /nfs/dbraw/zinc/60/92/56/1065609256.db2.gz ZJBSBOOCUDPVPK-UHFFFAOYSA-N 0 0 453.539 4.740 20 0 JJADRN CC(=O)N(C)c1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC001437795039 1065609298 /nfs/dbraw/zinc/60/92/98/1065609298.db2.gz YEGFFXXHLCHQOP-UHFFFAOYSA-N 0 0 450.539 4.506 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437797491 1065610108 /nfs/dbraw/zinc/61/01/08/1065610108.db2.gz PKNQYTKPZUVALZ-DENIHFKCSA-N 0 0 466.626 4.907 20 0 JJADRN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cn1 ZINC001437800936 1065610904 /nfs/dbraw/zinc/61/09/04/1065610904.db2.gz XJDFUVFEARKJNT-OXJNMPFZSA-N 0 0 455.356 4.511 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC001437798701 1065610963 /nfs/dbraw/zinc/61/09/63/1065610963.db2.gz SWAFWSSBINFMCL-INIZCTEOSA-N 0 0 453.466 4.606 20 0 JJADRN C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1cc(F)c(Br)cc1F ZINC001437812610 1065612665 /nfs/dbraw/zinc/61/26/65/1065612665.db2.gz RNFFMWHJKIPCEB-JTQLQIEISA-N 0 0 456.287 4.960 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c4occc43)cc2)CC1 ZINC001360597241 1065612992 /nfs/dbraw/zinc/61/29/92/1065612992.db2.gz GEXBNIFEYRMMDL-UHFFFAOYSA-N 0 0 454.910 4.754 20 0 JJADRN Cc1cc(Br)c(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)s1 ZINC001437812832 1065613234 /nfs/dbraw/zinc/61/32/34/1065613234.db2.gz HIGNZNGGDWZQHK-IBGZPJMESA-N 0 0 457.393 4.997 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC001437817301 1065615032 /nfs/dbraw/zinc/61/50/32/1065615032.db2.gz CDUVNCHENHHSKV-DOTOQJQBSA-N 0 0 450.373 4.539 20 0 JJADRN Cc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001360597934 1065615966 /nfs/dbraw/zinc/61/59/66/1065615966.db2.gz UGTOXMDUFCZFDR-UHFFFAOYSA-N 0 0 454.998 4.810 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001437839220 1065617458 /nfs/dbraw/zinc/61/74/58/1065617458.db2.gz NVHXSDVCDINVGR-WSXQUGQNSA-N 0 0 450.760 4.957 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437841915 1065617656 /nfs/dbraw/zinc/61/76/56/1065617656.db2.gz VIGLOGKUZKAVIJ-BYIOMEFUSA-N 0 0 454.998 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2COc3cc(F)ccc3C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001437841701 1065618487 /nfs/dbraw/zinc/61/84/87/1065618487.db2.gz KZMMKGGLYSKHHU-HBMCJLEFSA-N 0 0 474.960 4.550 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001437853038 1065620103 /nfs/dbraw/zinc/62/01/03/1065620103.db2.gz RYNVXEYVVYLMQH-MRXNPFEDSA-N 0 0 453.427 4.764 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)c2C2CC2)cc1Cl ZINC001437867389 1065621664 /nfs/dbraw/zinc/62/16/64/1065621664.db2.gz COGDBOSKTHELSK-WOJBJXKFSA-N 0 0 476.980 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC001360600379 1065622614 /nfs/dbraw/zinc/62/26/14/1065622614.db2.gz LJSJVRIGZPNPEX-SFHVURJKSA-N 0 0 458.946 4.571 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001360600703 1065623069 /nfs/dbraw/zinc/62/30/69/1065623069.db2.gz JDZFIXVAZJSEIM-HNNXBMFYSA-N 0 0 456.848 4.878 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cs1 ZINC001437876148 1065624309 /nfs/dbraw/zinc/62/43/09/1065624309.db2.gz KPFYVZBAFCGENB-JOCHJYFZSA-N 0 0 451.592 4.561 20 0 JJADRN O=C(Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1)c1sc(N2CCCC2)nc1Cl ZINC001437892940 1065625927 /nfs/dbraw/zinc/62/59/27/1065625927.db2.gz HGOYFRGPHLROSZ-GFCCVEGCSA-N 0 0 454.379 4.912 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001437892872 1065625956 /nfs/dbraw/zinc/62/59/56/1065625956.db2.gz NJHGBKUPFMNYGZ-UHFFFAOYSA-N 0 0 453.852 4.629 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001437893556 1065625980 /nfs/dbraw/zinc/62/59/80/1065625980.db2.gz VMRKLBPMCXXDPN-INIZCTEOSA-N 0 0 453.526 4.982 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC001437891002 1065626062 /nfs/dbraw/zinc/62/60/62/1065626062.db2.gz CTSOTCAWLCDNRI-FDDCHVKYSA-N 0 0 452.938 4.852 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC001437900821 1065628484 /nfs/dbraw/zinc/62/84/84/1065628484.db2.gz TULCXMDTGBNYRF-QHCPKHFHSA-N 0 0 450.476 4.919 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)NCC(F)(F)c1ccc(Br)cc1 ZINC001437907359 1065629928 /nfs/dbraw/zinc/62/99/28/1065629928.db2.gz NNJXYMUSJBPOSS-UHFFFAOYSA-N 0 0 450.283 4.730 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001545910785 1065629990 /nfs/dbraw/zinc/62/99/90/1065629990.db2.gz JIXSZTWEBBGRPY-BJKOFHAPSA-N 0 0 483.657 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[C@H]1CCCCO1 ZINC001545910786 1065630063 /nfs/dbraw/zinc/63/00/63/1065630063.db2.gz JIXSZTWEBBGRPY-DNQXCXABSA-N 0 0 483.657 4.514 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)CN2CCOCC2)C1 ZINC001360605603 1065630816 /nfs/dbraw/zinc/63/08/16/1065630816.db2.gz BANKLNPAVDGWNA-DNQXCXABSA-N 0 0 497.728 4.995 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cn1 ZINC001437925123 1065630918 /nfs/dbraw/zinc/63/09/18/1065630918.db2.gz BHYSBOLLAIKGPY-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CCn1ncc(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)c1Br ZINC001437926333 1065630940 /nfs/dbraw/zinc/63/09/40/1065630940.db2.gz FXVGYNGEKUVJIA-UHFFFAOYSA-N 0 0 458.541 4.882 20 0 JJADRN CC(C)OC1CCC(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 ZINC001437915749 1065631032 /nfs/dbraw/zinc/63/10/32/1065631032.db2.gz CUUAUDCTTYWQMM-UHFFFAOYSA-N 0 0 454.596 4.531 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F ZINC001360606314 1065631561 /nfs/dbraw/zinc/63/15/61/1065631561.db2.gz BRIARVJZORNBFA-CABCVRRESA-N 0 0 489.514 4.717 20 0 JJADRN Cc1c(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cnn1-c1ccc(Br)cc1 ZINC001437931742 1065631738 /nfs/dbraw/zinc/63/17/38/1065631738.db2.gz IOIJBRBSIVHRPC-CMDGGOBGSA-N 0 0 456.325 4.810 20 0 JJADRN CC(C)OCCCC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001437929971 1065631770 /nfs/dbraw/zinc/63/17/70/1065631770.db2.gz 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COWLBDMRSSOFII-VWLOTQADSA-N 0 0 450.579 4.673 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc(CNC(=O)C3CCCC3)cc1)CCCC2 ZINC001438887994 1065763245 /nfs/dbraw/zinc/76/32/45/1065763245.db2.gz INNORXVUCBOYJB-HSZRJFAPSA-N 0 0 450.579 4.708 20 0 JJADRN CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1 ZINC001438895550 1065763812 /nfs/dbraw/zinc/76/38/12/1065763812.db2.gz BEGWJKRRNBRKSK-MHZLTWQESA-N 0 0 452.595 4.616 20 0 JJADRN O=C(NCCc1ccns1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001438901401 1065763917 /nfs/dbraw/zinc/76/39/17/1065763917.db2.gz MYVUOFDYAHYUNB-UHFFFAOYSA-N 0 0 453.365 4.731 20 0 JJADRN CC(C)(C)c1ccc(I)c(OC(=O)COCCOc2ccccc2)c1 ZINC001438901311 1065763934 /nfs/dbraw/zinc/76/39/34/1065763934.db2.gz QCFWXNHXUCFZPS-UHFFFAOYSA-N 0 0 454.304 4.590 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCC[C@]3(C)Cc3cc(F)c(F)c(F)c3)c2)o1 ZINC001438903477 1065764019 /nfs/dbraw/zinc/76/40/19/1065764019.db2.gz BMJWFWLMMNGEJQ-XMMPIXPASA-N 0 0 459.468 4.580 20 0 JJADRN 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C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@]1(O)CCSC1 ZINC001360741584 1065775665 /nfs/dbraw/zinc/77/56/65/1065775665.db2.gz QRXVFDHWKMFFLE-YCRPNKLZSA-N 0 0 488.551 4.594 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(Br)c1 ZINC001439000786 1065776378 /nfs/dbraw/zinc/77/63/78/1065776378.db2.gz XPLBZGJKVBNOBA-UHFFFAOYSA-N 0 0 459.690 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C)CC2)n1C[C@H]1CCC[C@@H]1CC ZINC001545919691 1065776388 /nfs/dbraw/zinc/77/63/88/1065776388.db2.gz FDGFEDSSMCHERK-FCHUYYIVSA-N 0 0 466.674 4.658 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)CC[C@@H](C(F)(F)F)O1 ZINC001439001749 1065776506 /nfs/dbraw/zinc/77/65/06/1065776506.db2.gz JZPGKYXUNURPGN-KCJUWKMLSA-N 0 0 455.321 4.816 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360741972 1065776550 /nfs/dbraw/zinc/77/65/50/1065776550.db2.gz UFCKWFHNXNJLSE-LAUBAEHRSA-N 0 0 469.605 4.655 20 0 JJADRN 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CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001439142451 1065792543 /nfs/dbraw/zinc/79/25/43/1065792543.db2.gz NLJQGYXJIVBQJV-KRWDZBQOSA-N 0 0 456.930 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001439146082 1065792557 /nfs/dbraw/zinc/79/25/57/1065792557.db2.gz YYBYFGAGZNAPLV-FOSCPCJNSA-N 0 0 452.395 4.863 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCn1cc(Cl)cn1 ZINC001360749737 1065793147 /nfs/dbraw/zinc/79/31/47/1065793147.db2.gz IBVOYBOLRQVPQG-HBUWYVDXSA-N 0 0 486.901 4.742 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1CCC[C@H](O)C1 ZINC001360749800 1065793160 /nfs/dbraw/zinc/79/31/60/1065793160.db2.gz QILIYADZKPJAEB-RLSOBNFESA-N 0 0 474.621 4.750 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001360750054 1065794145 /nfs/dbraw/zinc/79/41/45/1065794145.db2.gz TZTODDYCRAEHOZ-QBFCQJJASA-N 0 0 488.629 4.778 20 0 JJADRN 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C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F ZINC001360750740 1065795674 /nfs/dbraw/zinc/79/56/74/1065795674.db2.gz ZPJSQAFSEYIROB-MRXNPFEDSA-N 0 0 483.535 4.660 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC001439185737 1065795985 /nfs/dbraw/zinc/79/59/85/1065795985.db2.gz WPNVHPCUKJQFCK-UXLLHSPISA-N 0 0 453.530 4.655 20 0 JJADRN O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCc2cc(Br)ccc21 ZINC001439184573 1065796015 /nfs/dbraw/zinc/79/60/15/1065796015.db2.gz NIXZPXIKAKMVDN-RDJZCZTQSA-N 0 0 451.158 4.881 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(Cl)nc1 ZINC001360750821 1065796251 /nfs/dbraw/zinc/79/62/51/1065796251.db2.gz QHZJHCTYBRVLER-HNNXBMFYSA-N 0 0 461.994 4.986 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001439193285 1065796569 /nfs/dbraw/zinc/79/65/69/1065796569.db2.gz BUEDILNHURLFBH-LVXARBLLSA-N 0 0 450.529 4.817 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CCOc1ncccc1F 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JJJVAWKCYNORBC-ASSNKEHSSA-N 0 0 499.534 4.830 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001439613893 1065847634 /nfs/dbraw/zinc/84/76/34/1065847634.db2.gz NVBFHHMDXGQZOY-CHWSQXEVSA-N 0 0 457.151 4.947 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](Cc3nc(C)cs3)C2)cc(OC)c1OCc1ccccc1 ZINC001439614469 1065848139 /nfs/dbraw/zinc/84/81/39/1065848139.db2.gz MCFWYSVMFIUEFR-LJQANCHMSA-N 0 0 452.576 4.753 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C ZINC001360765059 1065848149 /nfs/dbraw/zinc/84/81/49/1065848149.db2.gz KKYHCYSVFSQVOH-GBESFXJTSA-N 0 0 462.635 4.952 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cc(Cl)cc2c1OCC2 ZINC001439617455 1065848215 /nfs/dbraw/zinc/84/82/15/1065848215.db2.gz XGPLPVNNDDEAJI-INIZCTEOSA-N 0 0 455.963 4.740 20 0 JJADRN Cn1nc(C2CC2)cc1CNC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001439614691 1065848357 /nfs/dbraw/zinc/84/83/57/1065848357.db2.gz LYXHXUNIPDKUPS-OAQYLSRUSA-N 0 0 458.331 4.636 20 0 JJADRN 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ZINC001439677241 1065855988 /nfs/dbraw/zinc/85/59/88/1065855988.db2.gz SODUHVRWQVDKOQ-HKBQPEDESA-N 0 0 453.951 4.952 20 0 JJADRN Cn1cc([C@H]2CSCCCN2C(=O)CCCSc2ccc(Br)cc2)cn1 ZINC001439680279 1065856700 /nfs/dbraw/zinc/85/67/00/1065856700.db2.gz MAFKMZNYYYKIHW-GOSISDBHSA-N 0 0 454.459 4.762 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001439685609 1065857208 /nfs/dbraw/zinc/85/72/08/1065857208.db2.gz WRWSFCUFTHMPAD-HYFFOGBASA-N 0 0 454.368 4.685 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360767719 1065857301 /nfs/dbraw/zinc/85/73/01/1065857301.db2.gz UAXNMIQOSFWPMF-IXDOHACOSA-N 0 0 497.562 4.809 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccccc1 ZINC001439689437 1065857819 /nfs/dbraw/zinc/85/78/19/1065857819.db2.gz FNYZOCCRCVXOTQ-IBGZPJMESA-N 0 0 452.942 4.611 20 0 JJADRN CC[C@](C)(NC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2)C(N)=O ZINC001439686073 1065858018 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VKZGDPJQCPJAJO-SIBVEZHUSA-N 0 0 458.599 4.926 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCCN(C)CC(F)(F)F ZINC001360769130 1065860424 /nfs/dbraw/zinc/86/04/24/1065860424.db2.gz DOGZSPPFGNPCQF-KURKYZTESA-N 0 0 471.543 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C(C)(C)C1 ZINC001439699875 1065860737 /nfs/dbraw/zinc/86/07/37/1065860737.db2.gz JTBVHRZPHVTOLV-QGZVFWFLSA-N 0 0 451.405 4.633 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(Br)c1 ZINC001439700261 1065861422 /nfs/dbraw/zinc/86/14/22/1065861422.db2.gz BXIQNHHKLGLKAO-SUMWQHHRSA-N 0 0 457.384 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2cc(Cl)ccc2Br)C(C)(C)C1 ZINC001439705626 1065861940 /nfs/dbraw/zinc/86/19/40/1065861940.db2.gz YUGMJTXZGMCCBK-MRXNPFEDSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1(O)CCCC1 ZINC001360769630 1065862664 /nfs/dbraw/zinc/86/26/64/1065862664.db2.gz LILIDQLCFYWBRZ-HNNXBMFYSA-N 0 0 456.484 4.641 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cccc(N3CCCC3=O)c2)CCC1 ZINC001439710512 1065863076 /nfs/dbraw/zinc/86/30/76/1065863076.db2.gz ZAEKRFAMDLMSBC-OAQYLSRUSA-N 0 0 455.599 4.503 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccc(O[C@H]3CCOC3)cc2)CCC1 ZINC001439708716 1065863118 /nfs/dbraw/zinc/86/31/18/1065863118.db2.gz UBBBTFDUGOBWMH-VXKWHMMOSA-N 0 0 458.599 4.544 20 0 JJADRN C[C@@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC001439717826 1065864048 /nfs/dbraw/zinc/86/40/48/1065864048.db2.gz HMGULHGRESIBQN-LBPRGKRZSA-N 0 0 450.333 4.650 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCCC(C)(C)C ZINC001360769943 1065863966 /nfs/dbraw/zinc/86/39/66/1065863966.db2.gz QHLVJPABWFFQHX-IAGOWNOFSA-N 0 0 499.553 4.888 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2CC2)CC1 ZINC001360769958 1065864062 /nfs/dbraw/zinc/86/40/62/1065864062.db2.gz QOLOQEUWOHVOLM-RBUKOAKNSA-N 0 0 471.621 4.734 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCCO)CC2)n1CC[C@H]1CCCCO1 ZINC001360770032 1065864598 /nfs/dbraw/zinc/86/45/98/1065864598.db2.gz RTDXUXLACNXJNZ-PZJWPPBQSA-N 0 0 460.594 4.505 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001439731372 1065865145 /nfs/dbraw/zinc/86/51/45/1065865145.db2.gz GLVXKKVWUFWQLU-JYRCXFKTSA-N 0 0 457.404 4.582 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NC[C@H](C)c2ccc(Br)cc2)c1 ZINC001439730748 1065865324 /nfs/dbraw/zinc/86/53/24/1065865324.db2.gz QVVNBGVJLSSJGB-NSHDSACASA-N 0 0 455.146 4.532 20 0 JJADRN C[C@H](CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(Br)cc1 ZINC001439729118 1065865332 /nfs/dbraw/zinc/86/53/32/1065865332.db2.gz MVAJFKMIPOTKRL-OAHLLOKOSA-N 0 0 457.393 4.974 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc(Cl)c1 ZINC001439731934 1065865868 /nfs/dbraw/zinc/86/58/68/1065865868.db2.gz HVGDSKREAMKMBJ-JCOAXYOVSA-N 0 0 459.999 4.578 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC001439731585 1065866048 /nfs/dbraw/zinc/86/60/48/1065866048.db2.gz DJHHWNPBPVURSL-LPHOPBHVSA-N 0 0 457.396 4.962 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360770534 1065866646 /nfs/dbraw/zinc/86/66/46/1065866646.db2.gz YUXVPSSVFSDOEB-UFYCRDLUSA-N 0 0 457.594 4.585 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCN1CCCCC1=O ZINC001360770386 1065866671 /nfs/dbraw/zinc/86/66/71/1065866671.db2.gz YBAHWAPCGWBELS-VQTJNVASSA-N 0 0 471.621 4.832 20 0 JJADRN Cc1cc2cc(C(=O)N3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)oc2c(Br)c1 ZINC001439736706 1065867918 /nfs/dbraw/zinc/86/79/18/1065867918.db2.gz IFRVXSSTHBDXMN-LLVKDONJSA-N 0 0 454.246 4.942 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC)c(C)c1 ZINC001439738608 1065868003 /nfs/dbraw/zinc/86/80/03/1065868003.db2.gz ZYBVFAYHJNGQOH-QUGAMOGWSA-N 0 0 454.567 4.556 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001439736864 1065868080 /nfs/dbraw/zinc/86/80/80/1065868080.db2.gz YGUZEHUKDCJVKE-UHFFFAOYSA-N 0 0 454.011 4.925 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001360771678 1065868873 /nfs/dbraw/zinc/86/88/73/1065868873.db2.gz BURTWIGTBIPWTH-IEBWSBKVSA-N 0 0 455.582 4.709 20 0 JJADRN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001439746021 1065869272 /nfs/dbraw/zinc/86/92/72/1065869272.db2.gz PEZBTTGGOJHMQN-IRXDYDNUSA-N 0 0 451.748 4.977 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c(OCCC(C)C)c1 ZINC001439744266 1065869541 /nfs/dbraw/zinc/86/95/41/1065869541.db2.gz YZXLMVJZSINNOT-FQEVSTJZSA-N 0 0 458.986 4.808 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC001439747501 1065870100 /nfs/dbraw/zinc/87/01/00/1065870100.db2.gz KQQPYXZYAUFOEX-IBGZPJMESA-N 0 0 454.368 4.799 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N=[S@](C)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC001439749485 1065870230 /nfs/dbraw/zinc/87/02/30/1065870230.db2.gz YVYBHOFZXINAMW-SSMRWTHOSA-N 0 0 456.608 4.767 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360772949 1065870222 /nfs/dbraw/zinc/87/02/22/1065870222.db2.gz FPNADVIVHPGLDJ-IMBTUZDBSA-N 0 0 477.556 4.581 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F ZINC001360772485 1065870374 /nfs/dbraw/zinc/87/03/74/1065870374.db2.gz HRSOCKUPOPLPJN-HUUCEWRRSA-N 0 0 487.498 4.613 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCC1(C)CC1 ZINC001360772995 1065870944 /nfs/dbraw/zinc/87/09/44/1065870944.db2.gz FXXABMIMRQPBLO-MRXNPFEDSA-N 0 0 487.517 4.770 20 0 JJADRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001439751435 1065871107 /nfs/dbraw/zinc/87/11/07/1065871107.db2.gz ZXXQDNIGBCRYPU-INIZCTEOSA-N 0 0 452.274 4.963 20 0 JJADRN O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001439758819 1065871496 /nfs/dbraw/zinc/87/14/96/1065871496.db2.gz VDGAGMMHFYUNLT-UHFFFAOYSA-N 0 0 450.922 4.864 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC001439759342 1065872299 /nfs/dbraw/zinc/87/22/99/1065872299.db2.gz XGWKEWIFWLKORN-GOSISDBHSA-N 0 0 451.544 4.755 20 0 JJADRN C[C@@H]1Cc2cc(NC(=O)c3cc(I)ccc3Br)ccc2O1 ZINC001439765250 1065872332 /nfs/dbraw/zinc/87/23/32/1065872332.db2.gz IWQULSPKSYDMFQ-SECBINFHSA-N 0 0 458.093 4.629 20 0 JJADRN O=C([C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001439759745 1065872618 /nfs/dbraw/zinc/87/26/18/1065872618.db2.gz NAYHWQHDNLZHKU-UAGQMJEPSA-N 0 0 450.295 4.567 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@@H]2CCCC3(CCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439769138 1065873044 /nfs/dbraw/zinc/87/30/44/1065873044.db2.gz CKKVLMXTQFKNDT-ZWKOTPCHSA-N 0 0 451.995 4.607 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@H]2CCCC3(CCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439769123 1065873090 /nfs/dbraw/zinc/87/30/90/1065873090.db2.gz CKKVLMXTQFKNDT-QZTJIDSGSA-N 0 0 451.995 4.607 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCC3(CCC3)O2)c1 ZINC001439776015 1065873523 /nfs/dbraw/zinc/87/35/23/1065873523.db2.gz VTVNOKLWTKSPQF-HXUWFJFHSA-N 0 0 454.592 4.648 20 0 JJADRN CCOc1cc(CCCNC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)ccc1OC ZINC001360774568 1065873858 /nfs/dbraw/zinc/87/38/58/1065873858.db2.gz ZRDVOBGACCJSCJ-UHFFFAOYSA-N 0 0 454.958 4.568 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC3(CCCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360774492 1065873953 /nfs/dbraw/zinc/87/39/53/1065873953.db2.gz NONDMMIBNNTZRN-LJQANCHMSA-N 0 0 492.661 4.931 20 0 JJADRN C[C@@H](N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC=CCC2)CC1)C(F)(F)F ZINC001360774655 1065874049 /nfs/dbraw/zinc/87/40/49/1065874049.db2.gz SFUNQVDCLUVZGH-IPMKNSEASA-N 0 0 481.538 4.986 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001439776559 1065874187 /nfs/dbraw/zinc/87/41/87/1065874187.db2.gz XKNQIPXELDXSPL-HOTGVXAUSA-N 0 0 457.368 4.572 20 0 JJADRN CSC[C@H](C(=O)Nc1cccc(Oc2ccccc2C)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001439775879 1065874352 /nfs/dbraw/zinc/87/43/52/1065874352.db2.gz QSEUNEFKYGLVNG-PCCBWWKXSA-N 0 0 452.576 4.633 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCCC1CCCC1 ZINC001360774937 1065875323 /nfs/dbraw/zinc/87/53/23/1065875323.db2.gz QAWIKPACAIZLTC-TZIWHRDSSA-N 0 0 492.661 4.931 20 0 JJADRN O=C(Cc1csc2nccn12)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439781139 1065875532 /nfs/dbraw/zinc/87/55/32/1065875532.db2.gz YVOSCVIVRMKUKA-UHFFFAOYSA-N 0 0 455.337 4.592 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)Cc1cc(F)ccc1F ZINC001439779082 1065875598 /nfs/dbraw/zinc/87/55/98/1065875598.db2.gz PZINJMLXBSWLMU-HXUWFJFHSA-N 0 0 455.286 4.736 20 0 JJADRN CC(C)COc1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)ccc1Br ZINC001439784446 1065876429 /nfs/dbraw/zinc/87/64/29/1065876429.db2.gz FIQGLUWBPOSKNI-LJQANCHMSA-N 0 0 453.283 4.894 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360775173 1065876820 /nfs/dbraw/zinc/87/68/20/1065876820.db2.gz YSQWYQGWZZKJFZ-DYXWJJEUSA-N 0 0 495.590 4.540 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001360775342 1065877333 /nfs/dbraw/zinc/87/73/33/1065877333.db2.gz SGXSNIBXOSLGHC-RBUKOAKNSA-N 0 0 455.582 4.672 20 0 JJADRN Cc1cccc([C@@H](NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)C(=O)OC(C)(C)C)c1 ZINC001439788857 1065877470 /nfs/dbraw/zinc/87/74/70/1065877470.db2.gz LHHYGJWANDSOEK-JOCHJYFZSA-N 0 0 453.514 4.624 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC(C)(C)C2)n1CCNC(=O)c1cccs1 ZINC001360775463 1065878255 /nfs/dbraw/zinc/87/82/55/1065878255.db2.gz VGOZKTPSBQDMCS-QGZVFWFLSA-N 0 0 471.602 4.675 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CCSCC(F)(F)F ZINC001360775601 1065878561 /nfs/dbraw/zinc/87/85/61/1065878561.db2.gz WPFFMQIGQLMATF-IERDGZPVSA-N 0 0 488.551 4.860 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2c2nncn2C)n1CCCC(C)(C)C ZINC001360775700 1065879460 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4.605 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC001439825721 1065883813 /nfs/dbraw/zinc/88/38/13/1065883813.db2.gz MSJQGEVFNLYIIB-HUUCEWRRSA-N 0 0 451.350 4.647 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccccn2)CCS1 ZINC001360778186 1065883831 /nfs/dbraw/zinc/88/38/31/1065883831.db2.gz LPECKTILQUDHEF-GCJKJVERSA-N 0 0 455.603 4.773 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360778076 1065884010 /nfs/dbraw/zinc/88/40/10/1065884010.db2.gz KGMVPDXMIHBEFV-UUOWRZLLSA-N 0 0 460.594 4.504 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(Cl)s1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001439829439 1065884380 /nfs/dbraw/zinc/88/43/80/1065884380.db2.gz XQCZXAGYXZCMGN-CYBMUJFWSA-N 0 0 452.761 4.914 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)CCS1 ZINC001360778289 1065884451 /nfs/dbraw/zinc/88/44/51/1065884451.db2.gz NMGNPZLWUUKINT-AVRDEDQJSA-N 0 0 472.634 4.501 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC001360778527 1065885062 /nfs/dbraw/zinc/88/50/62/1065885062.db2.gz ATMSUBHOTRIXGG-HFZDXXHNSA-N 0 0 454.636 4.712 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCOC(C)(C)C ZINC001360778433 1065885150 /nfs/dbraw/zinc/88/51/50/1065885150.db2.gz PKYVXRLDBCREEY-AZUAARDMSA-N 0 0 460.594 4.625 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CCO1 ZINC001360779096 1065885868 /nfs/dbraw/zinc/88/58/68/1065885868.db2.gz VFFQLBWROUJFCQ-UWJYYQICSA-N 0 0 489.979 4.546 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)C1 ZINC001360778966 1065885886 /nfs/dbraw/zinc/88/58/86/1065885886.db2.gz GPVNKONAFCOJHA-GOSISDBHSA-N 0 0 454.368 4.890 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CCO1 ZINC001360779095 1065885922 /nfs/dbraw/zinc/88/59/22/1065885922.db2.gz VFFQLBWROUJFCQ-UTKZUKDTSA-N 0 0 489.979 4.546 20 0 JJADRN 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CC[C@@H](Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001360779384 1065887052 /nfs/dbraw/zinc/88/70/52/1065887052.db2.gz LDRXSJCSDMRHSC-RTWAWAEBSA-N 0 0 457.014 4.664 20 0 JJADRN C[C@H](OCCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780176 1065888145 /nfs/dbraw/zinc/88/81/45/1065888145.db2.gz FAIVNGDQAQRRKV-UNMCSNQZSA-N 0 0 492.624 4.611 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC(=O)NC(C)(C)C ZINC001360779993 1065888320 /nfs/dbraw/zinc/88/83/20/1065888320.db2.gz DBPCICXZRDAWIZ-ATLLOTDBSA-N 0 0 457.594 4.631 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H](C)c2ccccc2)CCS1 ZINC001360780184 1065888370 /nfs/dbraw/zinc/88/83/70/1065888370.db2.gz FHNOWNJRJBPCBZ-WWNPGLIZSA-N 0 0 458.672 4.918 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)ccc2s1 ZINC001439873552 1065888476 /nfs/dbraw/zinc/88/84/76/1065888476.db2.gz ROOQOXPTNQMRHN-UHFFFAOYSA-N 0 0 450.472 4.551 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)ccc2s1 ZINC001439874663 1065888484 /nfs/dbraw/zinc/88/84/84/1065888484.db2.gz ZOZHSJOFICPFLO-LJQANCHMSA-N 0 0 452.532 4.818 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)CCCCNC(=O)OCc2ccccc2)c2ccccc21 ZINC001439886148 1065888519 /nfs/dbraw/zinc/88/85/19/1065888519.db2.gz DNDDPRNKLAMICN-NRFANRHFSA-N 0 0 452.551 4.557 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCNC(=O)C1CCC1 ZINC001360780229 1065888652 /nfs/dbraw/zinc/88/86/52/1065888652.db2.gz FYTACQYDRZPFDK-FGTMMUONSA-N 0 0 493.574 4.591 20 0 JJADRN C[C@H](OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCCCC1)c1ccccc1 ZINC001360780641 1065889454 /nfs/dbraw/zinc/88/94/54/1065889454.db2.gz JHBOAGZZQYMFAB-FQEVSTJZSA-N 0 0 467.639 4.818 20 0 JJADRN C[C@H](OCCCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780600 1065889623 /nfs/dbraw/zinc/88/96/23/1065889623.db2.gz ILSWSQXTMKIEJD-REWPJTCUSA-N 0 0 492.624 4.611 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC001439896275 1065889625 /nfs/dbraw/zinc/88/96/25/1065889625.db2.gz WLVDZHGLDIQQBJ-CRAIPNDOSA-N 0 0 458.352 4.789 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CC(=O)N(C)c4cc(C(F)(F)F)ccc43)c2)c1C ZINC001439896671 1065889656 /nfs/dbraw/zinc/88/96/56/1065889656.db2.gz NXZWPWOCKPBYPB-UHFFFAOYSA-N 0 0 456.468 4.694 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1CCSC1 ZINC001360780677 1065890345 /nfs/dbraw/zinc/89/03/45/1065890345.db2.gz JTEVKIAFXODRSD-LVQVYYBASA-N 0 0 458.525 4.945 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc(Cl)c1 ZINC001439904119 1065890554 /nfs/dbraw/zinc/89/05/54/1065890554.db2.gz GKETUVDKODSREN-SFHVURJKSA-N 0 0 451.832 4.579 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1cccc(Cl)c1 ZINC001439907428 1065891017 /nfs/dbraw/zinc/89/10/17/1065891017.db2.gz QGRLMVHMWUGVTQ-QFIPXVFZSA-N 0 0 450.922 4.651 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC001439920084 1065892662 /nfs/dbraw/zinc/89/26/62/1065892662.db2.gz RZLUKPRRBPCPAE-LLVKDONJSA-N 0 0 456.349 4.770 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)Cc1ccc(Br)cc1Cl ZINC001439926136 1065893019 /nfs/dbraw/zinc/89/30/19/1065893019.db2.gz RMQMNIMIZKETJJ-VLIAUNLRSA-N 0 0 457.796 4.551 20 0 JJADRN Cc1c(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cnn1-c1cccc(Cl)c1 ZINC001439926740 1065893130 /nfs/dbraw/zinc/89/31/30/1065893130.db2.gz KXPAMGJPRBLTSZ-UHFFFAOYSA-N 0 0 453.329 4.950 20 0 JJADRN Cc1cc(NC(=O)c2ccc(I)c(F)c2)ccc1OC1CCOCC1 ZINC001360781690 1065893241 /nfs/dbraw/zinc/89/32/41/1065893241.db2.gz GKZKVCIHPXDGTL-UHFFFAOYSA-N 0 0 455.267 4.549 20 0 JJADRN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC001439932093 1065893615 /nfs/dbraw/zinc/89/36/15/1065893615.db2.gz ILYRSLGGNLUWBP-JOCHJYFZSA-N 0 0 450.560 4.627 20 0 JJADRN O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001439952479 1065895857 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JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NCc1nc(C(C)(C)C)co1 ZINC001439995631 1065900551 /nfs/dbraw/zinc/90/05/51/1065900551.db2.gz DTGPMHQZDASRRI-AWEZNQCLSA-N 0 0 454.352 4.852 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)cc1OCC ZINC001439993283 1065900656 /nfs/dbraw/zinc/90/06/56/1065900656.db2.gz DMPPAUZEAYRSPE-QGZVFWFLSA-N 0 0 452.776 4.726 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2nc(C(C)(C)C)co2)cc1 ZINC001439999430 1065901265 /nfs/dbraw/zinc/90/12/65/1065901265.db2.gz PQTGFORANYUNIV-UHFFFAOYSA-N 0 0 458.605 4.847 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1ccccc1C(F)(F)F ZINC001440000279 1065901298 /nfs/dbraw/zinc/90/12/98/1065901298.db2.gz LDGRGEPMBZOUQG-FQEVSTJZSA-N 0 0 450.844 4.895 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21 ZINC001440014983 1065902475 /nfs/dbraw/zinc/90/24/75/1065902475.db2.gz DLUGXUBOEWMAIF-UHFFFAOYSA-N 0 0 450.844 4.714 20 0 JJADRN O=C(Nc1ccc(-c2ccccc2F)nn1)C1(c2ccc(I)cc2)CC1 ZINC001440015856 1065902553 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IMXJPYICPBRMIP-ZBFHGGJFSA-N 0 0 454.352 4.541 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCSC[C@@H]1C(F)(F)F ZINC001440049504 1065906990 /nfs/dbraw/zinc/90/69/90/1065906990.db2.gz IMXJPYICPBRMIP-GDBMZVCRSA-N 0 0 454.352 4.541 20 0 JJADRN COc1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1OC ZINC001360793050 1065907619 /nfs/dbraw/zinc/90/76/19/1065907619.db2.gz HDILGYMHPHGDQX-RIYZIHGNSA-N 0 0 453.516 4.552 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1cc(COC(C)(C)C)on1 ZINC001360793803 1065908231 /nfs/dbraw/zinc/90/82/31/1065908231.db2.gz OEWMPUUBUONOGZ-UXHICEINSA-N 0 0 457.571 4.642 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC001360794160 1065908725 /nfs/dbraw/zinc/90/87/25/1065908725.db2.gz RXABTDDYZNVBDC-UHFFFAOYSA-N 0 0 457.935 4.661 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001360794318 1065908735 /nfs/dbraw/zinc/90/87/35/1065908735.db2.gz NALBMYHQVAFMCJ-VFNWGFHPSA-N 0 0 496.400 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)C1 ZINC001440075638 1065909560 /nfs/dbraw/zinc/90/95/60/1065909560.db2.gz GVOKMFVUAZTGKV-GFHCSAFJSA-N 0 0 463.416 4.633 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001360796239 1065910108 /nfs/dbraw/zinc/91/01/08/1065910108.db2.gz QPONMTSIHAIFFU-QBFSEMIESA-N 0 0 457.379 4.684 20 0 JJADRN CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360799181 1065910196 /nfs/dbraw/zinc/91/01/96/1065910196.db2.gz WKGONOBXCYEUSB-KRWDZBQOSA-N 0 0 487.929 4.821 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1cc(Br)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC001360796415 1065910227 /nfs/dbraw/zinc/91/02/27/1065910227.db2.gz UPRUVZGDKXERFB-IBGZPJMESA-N 0 0 450.348 4.849 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cc1 ZINC001545927724 1065910790 /nfs/dbraw/zinc/91/07/90/1065910790.db2.gz DESSATMAXGYTBG-FQEVSTJZSA-N 0 0 453.542 4.537 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1)C1CC1 ZINC001360800051 1065911175 /nfs/dbraw/zinc/91/11/75/1065911175.db2.gz TYBWOUJTTFFTFJ-UHFFFAOYSA-N 0 0 457.452 4.939 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCSc2ccccc2Br)o1 ZINC001360800327 1065911261 /nfs/dbraw/zinc/91/12/61/1065911261.db2.gz APNZPHZLAOCWGN-GOSISDBHSA-N 0 0 458.381 4.949 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001360800597 1065911291 /nfs/dbraw/zinc/91/12/91/1065911291.db2.gz HILOIJAFTQRZGU-VKJFTORMSA-N 0 0 455.393 4.511 20 0 JJADRN Cc1ccc([C@@H]2CCCCN2C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)cc1 ZINC001360800018 1065911358 /nfs/dbraw/zinc/91/13/58/1065911358.db2.gz SOCUYHYNNBTPFM-IRLDBZIGSA-N 0 0 453.587 4.526 20 0 JJADRN CO[C@@H]1CC[C@@H]1N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001440100872 1065911600 /nfs/dbraw/zinc/91/16/00/1065911600.db2.gz INNZISYPQMATDZ-DLBZAZTESA-N 0 0 457.427 4.636 20 0 JJADRN CO[C@@H]1CC[C@H]1N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001440100886 1065911642 /nfs/dbraw/zinc/91/16/42/1065911642.db2.gz INNZISYPQMATDZ-IAGOWNOFSA-N 0 0 457.427 4.636 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001360800777 1065911585 /nfs/dbraw/zinc/91/15/85/1065911585.db2.gz LKKIWOLBSNNIGR-UTKZUKDTSA-N 0 0 456.583 4.985 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001360801346 1065912143 /nfs/dbraw/zinc/91/21/43/1065912143.db2.gz ARPNFBNOVAOBMD-IBGZPJMESA-N 0 0 467.658 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)Cc2coc3c2ccc(F)c3F)n1 ZINC001440104327 1065912276 /nfs/dbraw/zinc/91/22/76/1065912276.db2.gz CUDUTVMQGNKAKF-INIZCTEOSA-N 0 0 458.465 4.754 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360801754 1065912578 /nfs/dbraw/zinc/91/25/78/1065912578.db2.gz NBSOJKUPCCFXSH-GFCCVEGCSA-N 0 0 491.327 4.786 20 0 JJADRN CC1(C)C[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001360801773 1065912775 /nfs/dbraw/zinc/91/27/75/1065912775.db2.gz NOALIDKRJLJIAJ-OLZOCXBDSA-N 0 0 490.357 4.803 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC(C)(C)C2)C1 ZINC001360801797 1065913307 /nfs/dbraw/zinc/91/33/07/1065913307.db2.gz OERXBPKZONBADX-HXUWFJFHSA-N 0 0 457.594 4.548 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)COc1ccc(F)cc1F)C(F)(F)F ZINC001440121997 1065913751 /nfs/dbraw/zinc/91/37/51/1065913751.db2.gz PYJKOMIORDIXQW-QGZVFWFLSA-N 0 0 453.411 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2cccc(F)c2Br)C1 ZINC001440119505 1065913791 /nfs/dbraw/zinc/91/37/91/1065913791.db2.gz UTPHDXASQBLGCD-NRFANRHFSA-N 0 0 455.368 4.984 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cnn1-c1ccccc1F ZINC001440120091 1065913838 /nfs/dbraw/zinc/91/38/38/1065913838.db2.gz UKCBSBCUDRHCRL-VWLOTQADSA-N 0 0 456.562 4.716 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)c2c1 ZINC001440117775 1065913882 /nfs/dbraw/zinc/91/38/82/1065913882.db2.gz RFKOQPACVVDURH-VWLOTQADSA-N 0 0 457.546 4.784 20 0 JJADRN CC1(C)Cc2occc2CN(c2nnc(-c3cccnc3)n2CCSCC(F)(F)F)C1 ZINC001360802354 1065913820 /nfs/dbraw/zinc/91/38/20/1065913820.db2.gz DWOFUHYIOGXQMP-UHFFFAOYSA-N 0 0 451.518 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc3scc(Br)c3c2)C2(CC2)C1 ZINC001440123673 1065914189 /nfs/dbraw/zinc/91/41/89/1065914189.db2.gz VINTWROMPMWKNI-INIZCTEOSA-N 0 0 451.386 4.793 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360802758 1065914325 /nfs/dbraw/zinc/91/43/25/1065914325.db2.gz MZMJWCLGSVSYMZ-AUUYWEPGSA-N 0 0 484.485 4.782 20 0 JJADRN COC(=O)c1cc(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)ccc1C ZINC001440123659 1065914352 /nfs/dbraw/zinc/91/43/52/1065914352.db2.gz SOFDPJXEEBIIJJ-FQEVSTJZSA-N 0 0 459.468 4.660 20 0 JJADRN O=C(c1cc(Cl)ccc1I)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001360803405 1065914750 /nfs/dbraw/zinc/91/47/50/1065914750.db2.gz BUXUKGNAEYDVKP-CQSZACIVSA-N 0 0 457.699 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC(C)(C)C2=CCOCC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001440140887 1065915352 /nfs/dbraw/zinc/91/53/52/1065915352.db2.gz KKLSNVQVJAJDEU-RTWAWAEBSA-N 0 0 463.018 4.780 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC001360804278 1065915394 /nfs/dbraw/zinc/91/53/94/1065915394.db2.gz PWCHWXCWXCKCHH-AWEZNQCLSA-N 0 0 451.367 4.802 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2ccc(Oc3cccc(Br)c3)nc2)no1 ZINC001360804737 1065915756 /nfs/dbraw/zinc/91/57/56/1065915756.db2.gz YXKIKOQEMBOJNI-QGZVFWFLSA-N 0 0 457.328 4.949 20 0 JJADRN Cn1cc(-c2csc(NC(=O)C[C@@H]3OCCc4ccccc43)c2C(=O)OC(C)(C)C)cn1 ZINC001440143995 1065915786 /nfs/dbraw/zinc/91/57/86/1065915786.db2.gz WLIYVRZFDBFILD-IBGZPJMESA-N 0 0 453.564 4.747 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001440143988 1065916566 /nfs/dbraw/zinc/91/65/66/1065916566.db2.gz DJSHQFKCZWZBJR-LBPRGKRZSA-N 0 0 450.486 4.999 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)CC[C@H](C)c2ccccc21 ZINC001440149542 1065917148 /nfs/dbraw/zinc/91/71/48/1065917148.db2.gz QALYYOLARPZRKJ-BSEYFRJRSA-N 0 0 452.532 4.597 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)c2cccs2)C1 ZINC001360805413 1065917202 /nfs/dbraw/zinc/91/72/02/1065917202.db2.gz QEKGEWGIDCYWOH-UHFFFAOYSA-N 0 0 488.455 4.826 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360805352 1065917215 /nfs/dbraw/zinc/91/72/15/1065917215.db2.gz OSDQICCUFDESOB-GOSISDBHSA-N 0 0 483.554 4.897 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)CC[C@H](C)c2ccccc21 ZINC001440149552 1065917420 /nfs/dbraw/zinc/91/74/20/1065917420.db2.gz QALYYOLARPZRKJ-LFPIHBKWSA-N 0 0 452.532 4.597 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)c1 ZINC001440154056 1065917969 /nfs/dbraw/zinc/91/79/69/1065917969.db2.gz WLWCWMQVPXULQT-XHCCPWGMSA-N 0 0 450.579 4.644 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360805770 1065918323 /nfs/dbraw/zinc/91/83/23/1065918323.db2.gz ZLPGHERJJFEQFO-INIZCTEOSA-N 0 0 488.961 4.842 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC(C)(C)C1 ZINC001360805933 1065918356 /nfs/dbraw/zinc/91/83/56/1065918356.db2.gz GHLXZUYUCBCOHS-UHFFFAOYSA-N 0 0 471.602 4.605 20 0 JJADRN COc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1-n1nnnc1C ZINC001360806437 1065918946 /nfs/dbraw/zinc/91/89/46/1065918946.db2.gz IBIYHMZVDSLXNP-UHFFFAOYSA-N 0 0 459.472 4.839 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)ccc1S(C)(=O)=O ZINC001440165305 1065919089 /nfs/dbraw/zinc/91/90/89/1065919089.db2.gz NMWUMWASSJORHY-NSHDSACASA-N 0 0 457.495 4.823 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)C2CC2)n1 ZINC001360807247 1065919296 /nfs/dbraw/zinc/91/92/96/1065919296.db2.gz FFLNQTCTDRUUMK-KRWDZBQOSA-N 0 0 450.560 4.874 20 0 JJADRN CCn1c(SCC(=O)N2CCCN(C)c3cc(F)ccc32)nnc1-c1ccc(Cl)cc1 ZINC001360807363 1065919338 /nfs/dbraw/zinc/91/93/38/1065919338.db2.gz ISLLPSQKJFBEHW-UHFFFAOYSA-N 0 0 459.978 4.723 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C2CC2)n1 ZINC001360807251 1065919445 /nfs/dbraw/zinc/91/94/45/1065919445.db2.gz FJFKQHVOAKPCKI-UHFFFAOYSA-N 0 0 451.335 4.622 20 0 JJADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCCC(C)(C)C2)n1CCCS(=O)(=O)c1ccccc1 ZINC001360807980 1065920061 /nfs/dbraw/zinc/92/00/61/1065920061.db2.gz FLQFTZLPIYEFGL-FGZHOGPDSA-N 0 0 488.698 4.687 20 0 JJADRN CSc1ccc(CCCC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001440175812 1065920877 /nfs/dbraw/zinc/92/08/77/1065920877.db2.gz QJQPNEWMCAMIHQ-SFHVURJKSA-N 0 0 456.612 4.884 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccc(Br)cc3)n2CCOCC(F)F)C1 ZINC001360808164 1065920793 /nfs/dbraw/zinc/92/07/93/1065920793.db2.gz ILJAOZMZRXUGHL-UHFFFAOYSA-N 0 0 473.362 4.528 20 0 JJADRN CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2cccc(Cl)c2)C1 ZINC001360808442 1065921378 /nfs/dbraw/zinc/92/13/78/1065921378.db2.gz PIYUVBIEPZOXSM-UHFFFAOYSA-N 0 0 474.030 4.628 20 0 JJADRN CC1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC001360808308 1065921691 /nfs/dbraw/zinc/92/16/91/1065921691.db2.gz KGRDLYHTRZETTQ-QGZVFWFLSA-N 0 0 452.525 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ncc(Cl)cc2Cl)CC1 ZINC001440184853 1065922558 /nfs/dbraw/zinc/92/25/58/1065922558.db2.gz ZECVYHKYIHALKF-UHFFFAOYSA-N 0 0 456.292 4.792 20 0 JJADRN CC(C)(C)OC(=O)c1c(-c2ccsc2)csc1NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001440198708 1065922935 /nfs/dbraw/zinc/92/29/35/1065922935.db2.gz FOAYHVGFINXWBW-QGZVFWFLSA-N 0 0 455.561 4.959 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc2sccc2c1 ZINC001545928869 1065922953 /nfs/dbraw/zinc/92/29/53/1065922953.db2.gz LGFBZHWDGQJNMA-OAQYLSRUSA-N 0 0 469.655 4.711 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC001440213083 1065924600 /nfs/dbraw/zinc/92/46/00/1065924600.db2.gz XOERYVSJGVYDTC-DLVCFXQMSA-N 0 0 479.429 4.827 20 0 JJADRN CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC1(C)C ZINC001360811503 1065924852 /nfs/dbraw/zinc/92/48/52/1065924852.db2.gz VIAMTGSNTITCIO-UHFFFAOYSA-N 0 0 486.638 4.709 20 0 JJADRN O=C(NCc1cc2ccccc2[nH]c1=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001440223189 1065924777 /nfs/dbraw/zinc/92/47/77/1065924777.db2.gz MBPPZKHKSZPVPI-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN O=C(c1c(F)ccc(I)c1Cl)N1CCc2cc(F)cc(F)c2C1 ZINC001440230805 1065925132 /nfs/dbraw/zinc/92/51/32/1065925132.db2.gz BYCDPMNUZYEABI-UHFFFAOYSA-N 0 0 451.613 4.560 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)OC(C)(C)C ZINC001440226451 1065925281 /nfs/dbraw/zinc/92/52/81/1065925281.db2.gz KFJPOMXCPMDYNZ-ZDUSSCGKSA-N 0 0 456.559 4.824 20 0 JJADRN CCC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1cccc(C(F)(F)F)c1 ZINC001360811985 1065925287 /nfs/dbraw/zinc/92/52/87/1065925287.db2.gz OJILLZUGBLZCRA-JTSKRJEESA-N 0 0 453.505 4.554 20 0 JJADRN CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC001360812299 1065925304 /nfs/dbraw/zinc/92/53/04/1065925304.db2.gz TZBDBHSBRNOPDD-WIYYLYMNSA-N 0 0 450.476 4.893 20 0 JJADRN CCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC001360812294 1065925376 /nfs/dbraw/zinc/92/53/76/1065925376.db2.gz TZBDBHSBRNOPDD-NQIIRXRSSA-N 0 0 450.476 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H](CC)c1ccccc1 ZINC001545929433 1065925639 /nfs/dbraw/zinc/92/56/39/1065925639.db2.gz YDXUMSBAIJCBEX-KNQAVFIVSA-N 0 0 455.647 4.642 20 0 JJADRN O=C(Nc1ccc(C(F)F)nc1)c1cc(Br)cc(I)c1 ZINC001440240007 1065925809 /nfs/dbraw/zinc/92/58/09/1065925809.db2.gz YZYZLIWLKWVESQ-UHFFFAOYSA-N 0 0 453.024 4.639 20 0 JJADRN Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001360813623 1065926247 /nfs/dbraw/zinc/92/62/47/1065926247.db2.gz WBDIBUGTHUECJQ-DNQXCXABSA-N 0 0 450.604 4.567 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC001440253055 1065926224 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PKBBFDGHKLPFRQ-MRXNPFEDSA-N 0 0 452.414 4.630 20 0 JJADRN CCN(C(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440283364 1065927887 /nfs/dbraw/zinc/92/78/87/1065927887.db2.gz VTYAFWDVOKJAFJ-MJGOQNOKSA-N 0 0 451.405 4.727 20 0 JJADRN CCN(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440281570 1065927929 /nfs/dbraw/zinc/92/79/29/1065927929.db2.gz QQQWROYRSACAOO-SFHVURJKSA-N 0 0 457.493 4.525 20 0 JJADRN CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440282536 1065927969 /nfs/dbraw/zinc/92/79/69/1065927969.db2.gz UNEITHXEBSGEFE-CGTJXYLNSA-N 0 0 456.505 4.937 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ncccc1OCC(F)(F)F ZINC001440294783 1065928352 /nfs/dbraw/zinc/92/83/52/1065928352.db2.gz RDPZNRDRNQGLSB-UHFFFAOYSA-N 0 0 451.445 4.963 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C)(C)CC2)n1CC1CC(C)(C)C1 ZINC001360815981 1065928931 /nfs/dbraw/zinc/92/89/31/1065928931.db2.gz PSFIGYBHSFQNCO-IBGZPJMESA-N 0 0 461.651 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C)(C)CC3)n2C[C@@H]2CCCS2)CC1 ZINC001360816198 1065928960 /nfs/dbraw/zinc/92/89/60/1065928960.db2.gz WBTFLDOWHPLFRV-IBGZPJMESA-N 0 0 463.692 4.915 20 0 JJADRN Cc1cccc(CC(=O)N[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1Br ZINC001440296217 1065928963 /nfs/dbraw/zinc/92/89/63/1065928963.db2.gz LRPMAMUTEJYQGZ-HXUWFJFHSA-N 0 0 455.318 4.623 20 0 JJADRN CC1(C)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)CC1 ZINC001360815841 1065928990 /nfs/dbraw/zinc/92/89/90/1065928990.db2.gz LVDSEFHJUVDPBD-QGZVFWFLSA-N 0 0 456.534 4.713 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001440299475 1065929133 /nfs/dbraw/zinc/92/91/33/1065929133.db2.gz QQZMTPJSWRCHMK-FQEVSTJZSA-N 0 0 455.318 4.705 20 0 JJADRN CC1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001360816976 1065929610 /nfs/dbraw/zinc/92/96/10/1065929610.db2.gz APPWPORUFPVCFE-UHFFFAOYSA-N 0 0 489.542 4.910 20 0 JJADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C)(C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360816950 1065929663 /nfs/dbraw/zinc/92/96/63/1065929663.db2.gz ADCZRHMKLUXZBS-GUDVDZBRSA-N 0 0 471.612 4.707 20 0 JJADRN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cccc(OCc2cccnc2)c1 ZINC001440301418 1065929633 /nfs/dbraw/zinc/92/96/33/1065929633.db2.gz STDPCQAPZSCLJQ-DEOSSOPVSA-N 0 0 455.480 4.597 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001440302796 1065929836 /nfs/dbraw/zinc/92/98/36/1065929836.db2.gz BRSGSTBFMDUMAP-UHFFFAOYSA-N 0 0 458.540 4.665 20 0 JJADRN CC1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001360817236 1065930139 /nfs/dbraw/zinc/93/01/39/1065930139.db2.gz JLDRAMHHBUCBRE-MJGOQNOKSA-N 0 0 477.447 4.797 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cnn(-c2cccnc2)c1 ZINC001440327512 1065930246 /nfs/dbraw/zinc/93/02/46/1065930246.db2.gz AYUAQQFYOZPXDV-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN CC1(C)CCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001360817829 1065930601 /nfs/dbraw/zinc/93/06/01/1065930601.db2.gz YDTGMCKDTXKYJP-QGZVFWFLSA-N 0 0 452.525 4.672 20 0 JJADRN CCOc1ccc(CN(C)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001440333399 1065930647 /nfs/dbraw/zinc/93/06/47/1065930647.db2.gz XDJDXSBWBCJZNP-LJQANCHMSA-N 0 0 454.567 4.981 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)cc1OC ZINC001440333439 1065930844 /nfs/dbraw/zinc/93/08/44/1065930844.db2.gz XMKFRYAWYOFDFS-UHFFFAOYSA-N 0 0 459.711 4.624 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC001360818899 1065931533 /nfs/dbraw/zinc/93/15/33/1065931533.db2.gz LNEZKNIJKZRUII-QAPCUYQASA-N 0 0 465.461 4.591 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)o1 ZINC001360818477 1065931543 /nfs/dbraw/zinc/93/15/43/1065931543.db2.gz MIVHQJFDYWLXSS-LAUBAEHRSA-N 0 0 456.587 4.935 20 0 JJADRN C[C@H](C(=O)N(C)Cc1ccccc1Br)c1ccc(I)cc1 ZINC001440336909 1065931461 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1065949948 /nfs/dbraw/zinc/94/99/48/1065949948.db2.gz XRFOYCSLWQKVMP-KRWDZBQOSA-N 0 0 450.988 4.944 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc2c(cc1O)CCCC2 ZINC001440563928 1065950212 /nfs/dbraw/zinc/95/02/12/1065950212.db2.gz JKFYJVVQZFTEHH-UHFFFAOYSA-N 0 0 456.951 4.978 20 0 JJADRN CC1(Cn2c(Cc3ccccc3F)nnc2N2CCC(CC(F)(F)F)CC2)CCOCC1 ZINC001360840901 1065950218 /nfs/dbraw/zinc/95/02/18/1065950218.db2.gz ARTUGFCQXMMORG-UHFFFAOYSA-N 0 0 454.512 4.994 20 0 JJADRN C[C@@]1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC=C(Br)C2)CCCO1 ZINC001360840893 1065950365 /nfs/dbraw/zinc/95/03/65/1065950365.db2.gz AKYLOGVRVOGFRD-FQEVSTJZSA-N 0 0 451.796 4.580 20 0 JJADRN CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC001440567147 1065950505 /nfs/dbraw/zinc/95/05/05/1065950505.db2.gz RNMNXGKQVREJPD-IBGZPJMESA-N 0 0 453.402 4.514 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001360841577 1065950698 /nfs/dbraw/zinc/95/06/98/1065950698.db2.gz KOKPNGCEXSNTPZ-OAHLLOKOSA-N 0 0 455.477 4.683 20 0 JJADRN C[C@@](Cc1cccc(Br)c1)(NC(=O)Cc1cnn2c1CCCC2)c1ccccc1 ZINC001360841593 1065950780 /nfs/dbraw/zinc/95/07/80/1065950780.db2.gz LGNRWWJBIILQIR-DEOSSOPVSA-N 0 0 452.396 4.799 20 0 JJADRN Cc1cccnc1C(F)(F)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001440567577 1065950778 /nfs/dbraw/zinc/95/07/78/1065950778.db2.gz YSYTWUXUUZBYSA-UHFFFAOYSA-N 0 0 451.882 4.575 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1(Cc2ccc(O)cc2)CC1 ZINC001440566760 1065950858 /nfs/dbraw/zinc/95/08/58/1065950858.db2.gz VYPBFNMLQQCTCJ-UHFFFAOYSA-N 0 0 456.951 4.808 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001360841576 1065950880 /nfs/dbraw/zinc/95/08/80/1065950880.db2.gz KOKPNGCEXSNTPZ-HNNXBMFYSA-N 0 0 455.477 4.683 20 0 JJADRN CC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CCC1 ZINC001360842512 1065951267 /nfs/dbraw/zinc/95/12/67/1065951267.db2.gz XGKRHSILRUBRMC-UHFFFAOYSA-N 0 0 483.966 4.607 20 0 JJADRN 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1065952474 /nfs/dbraw/zinc/95/24/74/1065952474.db2.gz LIDHIWWQNCIRPJ-XMMPIXPASA-N 0 0 496.574 4.739 20 0 JJADRN CO[C@@]1(C)C[C@@H](NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1(C)C ZINC001360845439 1065953650 /nfs/dbraw/zinc/95/36/50/1065953650.db2.gz YVQMKEWMPHNQLS-UTKZUKDTSA-N 0 0 455.908 4.967 20 0 JJADRN C[C@@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCS1 ZINC001360845740 1065953693 /nfs/dbraw/zinc/95/36/93/1065953693.db2.gz HUVQSOLKKGWNHB-AOMKIAJQSA-N 0 0 480.103 4.601 20 0 JJADRN COc1cc(C)c(CN(C)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001440607289 1065953816 /nfs/dbraw/zinc/95/38/16/1065953816.db2.gz WYMRLIDQFFDHDZ-IBGZPJMESA-N 0 0 454.567 4.900 20 0 JJADRN CC1(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC001360846145 1065954292 /nfs/dbraw/zinc/95/42/92/1065954292.db2.gz SYIUHKDXOWKEDQ-MRXNPFEDSA-N 0 0 456.484 4.734 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccc3)n2CC[C@H]2CCCCO2)CC1 ZINC001360847041 1065954649 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MTDVPJZAQDRRHO-UHFFFAOYSA-N 0 0 489.489 4.593 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCCCc2ccccc2)CC1 ZINC001360847625 1065955998 /nfs/dbraw/zinc/95/59/98/1065955998.db2.gz UKSJAUHLIRAQSJ-JOCHJYFZSA-N 0 0 483.657 4.689 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccoc2)CC1 ZINC001360847414 1065956026 /nfs/dbraw/zinc/95/60/26/1065956026.db2.gz NLFDKVYWRBPWMP-UHFFFAOYSA-N 0 0 485.560 4.521 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360847688 1065956612 /nfs/dbraw/zinc/95/66/12/1065956612.db2.gz VUQFZIDUFZYXEN-HHHXNRCGSA-N 0 0 498.672 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccc(N4CCCCCC4)cc3)=NO2)C1 ZINC001440636398 1065956613 /nfs/dbraw/zinc/95/66/13/1065956613.db2.gz FBFOCUWUEBNTGB-VWLOTQADSA-N 0 0 456.587 4.552 20 0 JJADRN CC(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001440640764 1065956967 /nfs/dbraw/zinc/95/69/67/1065956967.db2.gz RGSJKWVJTKRJLT-UHFFFAOYSA-N 0 0 455.407 4.586 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CCC2(C1)CCCCC2 ZINC001360848391 1065957024 /nfs/dbraw/zinc/95/70/24/1065957024.db2.gz SNIBIDJCEIWLJK-UHFFFAOYSA-N 0 0 457.294 4.845 20 0 JJADRN C[C@@]12CCN(c3nnc(Cc4ccc(F)cc4)n3CCCCCCO)C[C@@H]1C2(Cl)Cl ZINC001360848735 1065957231 /nfs/dbraw/zinc/95/72/31/1065957231.db2.gz CQBIMISNCKLHIU-GHTZIAJQSA-N 0 0 455.405 4.581 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001440644872 1065957533 /nfs/dbraw/zinc/95/75/33/1065957533.db2.gz HMHZUIVZSRNPCF-GBXCKJPGSA-N 0 0 453.627 4.814 20 0 JJADRN Cc1sc(C)c(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c1Br ZINC001360848815 1065957855 /nfs/dbraw/zinc/95/78/55/1065957855.db2.gz GMJWVDZSYVTAFB-KRWDZBQOSA-N 0 0 496.519 4.879 20 0 JJADRN C[C@]1(Br)C[C@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648567 1065958506 /nfs/dbraw/zinc/95/85/06/1065958506.db2.gz CTOCCIHYXFILBO-JXFKEZNVSA-N 0 0 453.833 4.886 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)ccc1Cl ZINC001440649162 1065958580 /nfs/dbraw/zinc/95/85/80/1065958580.db2.gz VXRHKXFIKPVMMS-OAQYLSRUSA-N 0 0 450.004 4.678 20 0 JJADRN Cc1sc(C)c(Cn2c(C(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1Br ZINC001360849045 1065958661 /nfs/dbraw/zinc/95/86/61/1065958661.db2.gz MCCHPRIAFKTFQG-CQURBHOASA-N 0 0 483.476 4.663 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC001440653670 1065959022 /nfs/dbraw/zinc/95/90/22/1065959022.db2.gz XUGKIVWKTTYAQW-UHFFFAOYSA-N 0 0 458.558 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)c2ccccc21 ZINC001360849461 1065959348 /nfs/dbraw/zinc/95/93/48/1065959348.db2.gz FGKIVNDQTXGBLI-UHFFFAOYSA-N 0 0 453.930 4.713 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001440658302 1065959440 /nfs/dbraw/zinc/95/94/40/1065959440.db2.gz LALLCYGYYSNSQW-FOMSVSHPSA-N 0 0 456.564 4.965 20 0 JJADRN C[C@]12CCN(c3nnc(COc4ccccc4F)n3CCCOCC(F)F)C[C@H]1C2(Cl)Cl ZINC001360849497 1065959448 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0 0 453.450 4.898 20 0 JJADRN Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)c1Br ZINC001360850815 1065961925 /nfs/dbraw/zinc/96/19/25/1065961925.db2.gz QSYPKGRXKQZXHR-ROUUACIJSA-N 0 0 497.503 4.740 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](C)C[C@@H](C)C2)c1Br ZINC001360850868 1065962343 /nfs/dbraw/zinc/96/23/43/1065962343.db2.gz SBYOHWKBWPMTNF-XJKCOSOUSA-N 0 0 453.450 4.753 20 0 JJADRN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC001440674091 1065962396 /nfs/dbraw/zinc/96/23/96/1065962396.db2.gz OMBQWHIQWPGBJL-UHFFFAOYSA-N 0 0 451.573 4.822 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001440676339 1065962971 /nfs/dbraw/zinc/96/29/71/1065962971.db2.gz ZHYFTMGDIZEUGP-INIZCTEOSA-N 0 0 452.555 4.715 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C ZINC001440676364 1065963031 /nfs/dbraw/zinc/96/30/31/1065963031.db2.gz ZTKHHPLHPPFIJS-GOSISDBHSA-N 0 0 452.555 4.824 20 0 JJADRN O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC001440676591 1065963168 /nfs/dbraw/zinc/96/31/68/1065963168.db2.gz OSIMDSNKKUHSGA-SFHVURJKSA-N 0 0 455.407 4.598 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)=C(Br)C2)cc1 ZINC001360851058 1065963317 /nfs/dbraw/zinc/96/33/17/1065963317.db2.gz ZNCRDYLVIDQQQX-GOSISDBHSA-N 0 0 495.425 4.917 20 0 JJADRN Cc1sc(C)c(Cn2c(N3C[C@H](C)O[C@]4(CCCOC4)C3)nnc2C(C)(C)C)c1Br ZINC001360851064 1065963374 /nfs/dbraw/zinc/96/33/74/1065963374.db2.gz ZRQCQTWCEPOSDG-RCDICMHDSA-N 0 0 497.503 4.839 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2)cc1 ZINC001440681024 1065964805 /nfs/dbraw/zinc/96/48/05/1065964805.db2.gz HCJPBEPGJQKCLP-OAQYLSRUSA-N 0 0 456.564 4.902 20 0 JJADRN CC(=O)Nc1cccc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 ZINC001440681688 1065965348 /nfs/dbraw/zinc/96/53/48/1065965348.db2.gz QEVBXVJJRBQAAS-SFHVURJKSA-N 0 0 452.429 4.835 20 0 JJADRN Cc1ccccc1COCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001440682973 1065965776 /nfs/dbraw/zinc/96/57/76/1065965776.db2.gz ULIKIJLTAGSWCQ-UHFFFAOYSA-N 0 0 450.529 4.724 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2Cc2ncccc2N(C)C)CC1 ZINC001360851957 1065966363 /nfs/dbraw/zinc/96/63/63/1065966363.db2.gz UGOGKKWVDUNJJJ-UHFFFAOYSA-N 0 0 487.833 4.987 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccn1 ZINC001440683843 1065966527 /nfs/dbraw/zinc/96/65/27/1065966527.db2.gz YIDGQFJZHYIWAX-UHFFFAOYSA-N 0 0 451.517 4.694 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001360852308 1065967809 /nfs/dbraw/zinc/96/78/09/1065967809.db2.gz VDHRAKLLSAPEQC-MRXNPFEDSA-N 0 0 459.475 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001440709000 1065968471 /nfs/dbraw/zinc/96/84/71/1065968471.db2.gz XNZAMQGUNOKPJI-UHFFFAOYSA-N 0 0 458.530 4.650 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001440705173 1065968684 /nfs/dbraw/zinc/96/86/84/1065968684.db2.gz 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COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC001440713451 1065969923 /nfs/dbraw/zinc/96/99/23/1065969923.db2.gz HXVCZIRHKNREQI-HSZRJFAPSA-N 0 0 453.583 4.520 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1-c1ccccc1 ZINC001440713497 1065969941 /nfs/dbraw/zinc/96/99/41/1065969941.db2.gz XKIBRXRBYYCYIH-UHFFFAOYSA-N 0 0 455.480 4.739 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001360853561 1065970389 /nfs/dbraw/zinc/97/03/89/1065970389.db2.gz HCDIDMIUCIOQOJ-NQIIRXRSSA-N 0 0 474.447 4.738 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)NCCc2ccc(-c3csc(C)n3)s2)[C@@H]1c1cccc(C)c1 ZINC001440714110 1065970463 /nfs/dbraw/zinc/97/04/63/1065970463.db2.gz UXUVGPPGBVMYFS-XXBNENTESA-N 0 0 453.633 4.757 20 0 JJADRN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001440722644 1065970743 /nfs/dbraw/zinc/97/07/43/1065970743.db2.gz MWENPSMJFHVSJG-UHFFFAOYSA-N 0 0 455.480 4.613 20 0 JJADRN Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)nn1-c1ccccc1Br ZINC001440715790 1065970867 /nfs/dbraw/zinc/97/08/67/1065970867.db2.gz QCGGWLHDWMPYDB-UHFFFAOYSA-N 0 0 453.384 4.816 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2CCCNc2ccccn2)CC1 ZINC001360853862 1065971178 /nfs/dbraw/zinc/97/11/78/1065971178.db2.gz LRKOCDZYJTYIBM-UHFFFAOYSA-N 0 0 473.444 4.707 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccsc3)nnc2N2CCC(C)=C(Br)C2)s1 ZINC001360853880 1065971574 /nfs/dbraw/zinc/97/15/74/1065971574.db2.gz LZEFBAIKNNLIPT-UHFFFAOYSA-N 0 0 450.431 4.623 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)CC1 ZINC001360853909 1065971791 /nfs/dbraw/zinc/97/17/91/1065971791.db2.gz QBQREOUSFKYXGG-SFHVURJKSA-N 0 0 498.466 4.512 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2Br)CC1 ZINC001360854079 1065972612 /nfs/dbraw/zinc/97/26/12/1065972612.db2.gz SAQZEAWVIUBBSS-MRXNPFEDSA-N 0 0 496.247 4.862 20 0 JJADRN Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CCCNc1ccccn1 ZINC001360854142 1065972776 /nfs/dbraw/zinc/97/27/76/1065972776.db2.gz QKEKFHNURJYMMV-UHFFFAOYSA-N 0 0 481.442 4.954 20 0 JJADRN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001440735920 1065972848 /nfs/dbraw/zinc/97/28/48/1065972848.db2.gz UDOPHOBMZRDBGH-KRWDZBQOSA-N 0 0 459.871 4.581 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC(C)=C(Br)C2)c(C)o1 ZINC001360854315 1065973101 /nfs/dbraw/zinc/97/31/01/1065973101.db2.gz XQCRREDFKXLRNN-QFIPXVFZSA-N 0 0 465.436 4.863 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)cc1 ZINC001440740159 1065974043 /nfs/dbraw/zinc/97/40/43/1065974043.db2.gz YUTMAMGKLPDKJU-UHFFFAOYSA-N 0 0 453.583 4.699 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NCc2cc(N(C)C)nc3ccccc23)c1C(F)(F)F ZINC001360854640 1065974353 /nfs/dbraw/zinc/97/43/53/1065974353.db2.gz BLMSJOVUOGQISW-UHFFFAOYSA-N 0 0 453.468 4.744 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCCCCOc2ccc(Cl)cc2)cs1 ZINC001440744084 1065974785 /nfs/dbraw/zinc/97/47/85/1065974785.db2.gz DDOJMQYBJYZOHY-CQSZACIVSA-N 0 0 453.992 4.971 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)C[C@H](O)CC[C@H](C)CC)cc2)c1C(F)(F)F ZINC001440745658 1065974806 /nfs/dbraw/zinc/97/48/06/1065974806.db2.gz HNZQBNVRMGFORK-RHSMWYFYSA-N 0 0 455.477 4.584 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2CCCS2)cc1 ZINC001360857492 1065975336 /nfs/dbraw/zinc/97/53/36/1065975336.db2.gz AVYYFONTUMZYDJ-SFHVURJKSA-N 0 0 463.445 4.940 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001360857630 1065975764 /nfs/dbraw/zinc/97/57/64/1065975764.db2.gz GUKRDKBLXGAXDX-UHFFFAOYSA-N 0 0 488.007 4.911 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001440752952 1065975999 /nfs/dbraw/zinc/97/59/99/1065975999.db2.gz QFCLZVXZMHPOTN-KRWDZBQOSA-N 0 0 456.384 4.937 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001360857828 1065975979 /nfs/dbraw/zinc/97/59/79/1065975979.db2.gz NZECOUACQQQLIO-QGZVFWFLSA-N 0 0 487.320 4.956 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360857900 1065976464 /nfs/dbraw/zinc/97/64/64/1065976464.db2.gz QGXIPPJUIUZRBK-FQEVSTJZSA-N 0 0 493.652 4.729 20 0 JJADRN COC[C@]1(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CCCCN1C(=O)OC(C)(C)C ZINC001440760323 1065976940 /nfs/dbraw/zinc/97/69/40/1065976940.db2.gz UCDHQZPDVAYRQM-SANMLTNESA-N 0 0 453.583 4.590 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)=C(Br)C1 ZINC001360858058 1065977039 /nfs/dbraw/zinc/97/70/39/1065977039.db2.gz XDEKZZDVEUAZKT-UHFFFAOYSA-N 0 0 499.457 4.752 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC001440767182 1065977584 /nfs/dbraw/zinc/97/75/84/1065977584.db2.gz FJPWQDDUFVWHTE-GVAUOCQISA-N 0 0 450.623 4.532 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(C)C)CC1 ZINC001360858456 1065977798 /nfs/dbraw/zinc/97/77/98/1065977798.db2.gz LPWSQENWRICKNK-UHFFFAOYSA-N 0 0 497.615 4.979 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001440771083 1065977930 /nfs/dbraw/zinc/97/79/30/1065977930.db2.gz PUKKCYQMAHIBJP-KSEOMHKRSA-N 0 0 452.599 4.509 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)C1 ZINC001360858581 1065978332 /nfs/dbraw/zinc/97/83/32/1065978332.db2.gz OXZRPZSQDXIUGH-INIZCTEOSA-N 0 0 486.414 4.665 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC001440773447 1065978470 /nfs/dbraw/zinc/97/84/70/1065978470.db2.gz RBJMVRITSDFERL-UHFFFAOYSA-N 0 0 453.587 4.694 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)c1C ZINC001360859112 1065978556 /nfs/dbraw/zinc/97/85/56/1065978556.db2.gz GUGNCEGXNXAUQN-FCHUYYIVSA-N 0 0 458.555 4.750 20 0 JJADRN COc1c(N)c(C(=O)Nc2cnn(-c3ccccc3F)c2C)cc(Cl)c1Br ZINC001545935807 1065978933 /nfs/dbraw/zinc/97/89/33/1065978933.db2.gz SQNBVXXGRLHPID-UHFFFAOYSA-N 0 0 453.699 4.579 20 0 JJADRN Cc1c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001360859566 1065978841 /nfs/dbraw/zinc/97/88/41/1065978841.db2.gz STZQJCIRVQODET-ZDUSSCGKSA-N 0 0 452.864 4.504 20 0 JJADRN C[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)Oc1ccc(Cl)cc1 ZINC001360859682 1065979047 /nfs/dbraw/zinc/97/90/47/1065979047.db2.gz VUMPAJUFRZRCFY-SFHVURJKSA-N 0 0 450.966 4.929 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001440792265 1065979287 /nfs/dbraw/zinc/97/92/87/1065979287.db2.gz WAZQWBREKGQXMA-SFTDATJTSA-N 0 0 455.603 4.757 20 0 JJADRN CCC(CC)[C@@H](CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)N1CCOCC1 ZINC001440811738 1065980291 /nfs/dbraw/zinc/98/02/91/1065980291.db2.gz RUCLSZSFLLWAHT-AREMUKBSSA-N 0 0 451.586 4.696 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nc(C(F)(F)F)cs2)c1C ZINC001360862423 1065980801 /nfs/dbraw/zinc/98/08/01/1065980801.db2.gz QICWAKPEPIPZNC-UHFFFAOYSA-N 0 0 480.560 4.791 20 0 JJADRN CCC(CC)[C@@H](C(=O)NCCCN1c2ccccc2Sc2ccccc21)N1CCOCC1 ZINC001440815477 1065980863 /nfs/dbraw/zinc/98/08/63/1065980863.db2.gz DLQGCFJNBYSVDE-VWLOTQADSA-N 0 0 453.652 4.933 20 0 JJADRN Cc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1Cc1c(C)sc(C)c1Br ZINC001360862613 1065981261 /nfs/dbraw/zinc/98/12/61/1065981261.db2.gz UEKKQNSZFATCQQ-UHFFFAOYSA-N 0 0 476.444 4.767 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001440820184 1065981270 /nfs/dbraw/zinc/98/12/70/1065981270.db2.gz UYJMBHWYHKQCPO-YMKLCQLYSA-N 0 0 450.410 4.552 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)n2)cc(Cl)c1OC ZINC001360863423 1065981739 /nfs/dbraw/zinc/98/17/39/1065981739.db2.gz SQFNHEIMRFCCRO-WMLDXEAASA-N 0 0 459.930 4.933 20 0 JJADRN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)C1 ZINC001360863929 1065982342 /nfs/dbraw/zinc/98/23/42/1065982342.db2.gz HIHZZDYFDJZNSC-XMMPIXPASA-N 0 0 455.643 4.616 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC001440830646 1065982399 /nfs/dbraw/zinc/98/23/99/1065982399.db2.gz VGCLEQKGVJAQIY-UHFFFAOYSA-N 0 0 456.461 4.622 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[C@@H]2CCCCO2)c1C ZINC001360865126 1065983580 /nfs/dbraw/zinc/98/35/80/1065983580.db2.gz SDNAWOSENISMMV-QFIPXVFZSA-N 0 0 453.631 4.662 20 0 JJADRN O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Sc2cccc(Br)c2)n1 ZINC001440853085 1065983629 /nfs/dbraw/zinc/98/36/29/1065983629.db2.gz MFTMSBUNVYAUOA-KRWDZBQOSA-N 0 0 456.365 4.903 20 0 JJADRN CC(C)NC(=O)Nc1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001440852052 1065983720 /nfs/dbraw/zinc/98/37/20/1065983720.db2.gz LPFXCRXPXPVKAQ-NRFANRHFSA-N 0 0 454.571 4.681 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[C@H]2C)c1C ZINC001360865520 1065984880 /nfs/dbraw/zinc/98/48/80/1065984880.db2.gz CWIRPEQIYGBXPH-ZDXOVATRSA-N 0 0 453.631 4.544 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2C[C@H]2C)c1C ZINC001360865519 1065984916 /nfs/dbraw/zinc/98/49/16/1065984916.db2.gz CWIRPEQIYGBXPH-RKCFAAOBSA-N 0 0 453.631 4.544 20 0 JJADRN CCN(CC)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1ccccc1Cl ZINC001440867071 1065985370 /nfs/dbraw/zinc/98/53/70/1065985370.db2.gz NNBPKLFFJKYFOU-FQEVSTJZSA-N 0 0 457.423 4.600 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)s1 ZINC001440867581 1065985760 /nfs/dbraw/zinc/98/57/60/1065985760.db2.gz RWSUJDIDZUKQQH-OAQYLSRUSA-N 0 0 458.624 4.654 20 0 JJADRN CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)oc2Cl)c2cccs2)cc1 ZINC001440868646 1065985811 /nfs/dbraw/zinc/98/58/11/1065985811.db2.gz YABQIRYGOFVBEH-SGTLLEGYSA-N 0 0 452.985 4.675 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H]3CCSC3)n2CCC(=O)NC2CCCCC2)c1C ZINC001360865966 1065986382 /nfs/dbraw/zinc/98/63/82/1065986382.db2.gz KPDRENYAFQURPV-RBBKRZOGSA-N 0 0 485.698 4.816 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC001440871885 1065986910 /nfs/dbraw/zinc/98/69/10/1065986910.db2.gz UISKMHFOMYYLSV-UHFFFAOYSA-N 0 0 456.586 4.891 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001545936275 1065988734 /nfs/dbraw/zinc/98/87/34/1065988734.db2.gz GROQSIDETSLZMM-UHFFFAOYSA-N 0 0 489.705 4.720 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2CCCCC2)c1C ZINC001360866684 1065989880 /nfs/dbraw/zinc/98/98/80/1065989880.db2.gz XJUXTJJZMWPFGH-FQEVSTJZSA-N 0 0 455.647 4.966 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001440884451 1065989991 /nfs/dbraw/zinc/98/99/91/1065989991.db2.gz ZZXQZVFUXKFDOP-SFHVURJKSA-N 0 0 454.741 4.768 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1C ZINC001360866889 1065990239 /nfs/dbraw/zinc/99/02/39/1065990239.db2.gz ZFVWGIOMTUTGGQ-JTOYRKQZSA-N 0 0 456.631 4.711 20 0 JJADRN CN(C(=O)c1cnc2ccc(I)cc2c1O)c1ccc2ccccc2c1 ZINC001440888969 1065990357 /nfs/dbraw/zinc/99/03/57/1065990357.db2.gz CUKTVYBFLVNEFE-UHFFFAOYSA-N 0 0 454.267 4.563 20 0 JJADRN C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC001440895055 1065990918 /nfs/dbraw/zinc/99/09/18/1065990918.db2.gz OOJOBFBRKBNJHP-JOCHJYFZSA-N 0 0 455.514 4.569 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2cnc(C)nc2C(C)C)c2c[nH]c3ccccc32)c1OC ZINC001440895043 1065990986 /nfs/dbraw/zinc/99/09/86/1065990986.db2.gz OKJLVTNJQNCACF-OAQYLSRUSA-N 0 0 458.562 4.969 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1Cl ZINC001360867275 1065990961 /nfs/dbraw/zinc/99/09/61/1065990961.db2.gz OOQLTUIAQGIBEZ-UHFFFAOYSA-N 0 0 458.150 4.734 20 0 JJADRN C/C(=C\C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)c1ccccc1OC(F)F ZINC001360867690 1065990972 /nfs/dbraw/zinc/99/09/72/1065990972.db2.gz DBFJOUXWVHYPSF-BUHFOSPRSA-N 0 0 452.523 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(F)F ZINC001440894092 1065991113 /nfs/dbraw/zinc/99/11/13/1065991113.db2.gz MSBYJQSVUGSAPH-RXVVDRJESA-N 0 0 457.521 4.965 20 0 JJADRN 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CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001440899332 1065992567 /nfs/dbraw/zinc/99/25/67/1065992567.db2.gz MLTPPAXRQKSQSX-WOJBJXKFSA-N 0 0 456.543 4.623 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCOCC3)n2Cc2nccn2C(F)F)c1C ZINC001360868571 1065992799 /nfs/dbraw/zinc/99/27/99/1065992799.db2.gz HVENDMWDNTZDPD-SFHVURJKSA-N 0 0 474.556 4.538 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)cs2)CC1 ZINC001440900552 1065993009 /nfs/dbraw/zinc/99/30/09/1065993009.db2.gz JKHIRNNOTDCXKR-CBGDNZLLSA-N 0 0 456.612 4.919 20 0 JJADRN CNc1cc(Cl)ccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440919323 1065993335 /nfs/dbraw/zinc/99/33/35/1065993335.db2.gz FBKGOVSAXUMPQQ-YVLHZVERSA-N 0 0 450.347 4.501 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360868707 1065993460 /nfs/dbraw/zinc/99/34/60/1065993460.db2.gz AOVMQCIPTCGMOV-SFTDATJTSA-N 0 0 453.631 4.563 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Nc2nccc(C)n2)c1 ZINC001440920034 1065993931 /nfs/dbraw/zinc/99/39/31/1065993931.db2.gz KVRYSEDLQJRCIF-UHFFFAOYSA-N 0 0 457.456 4.648 20 0 JJADRN O=C(Cc1ccc2c(c1)CCCC2)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440923468 1065994373 /nfs/dbraw/zinc/99/43/73/1065994373.db2.gz RBBNFRZUCWGTFR-KGENOOAVSA-N 0 0 454.979 4.614 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 ZINC001440924909 1065994807 /nfs/dbraw/zinc/99/48/07/1065994807.db2.gz YZGPUTBKGNMHIS-QIROLCGISA-N 0 0 456.951 4.605 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc1OC(F)F ZINC001440926596 1065994898 /nfs/dbraw/zinc/99/48/98/1065994898.db2.gz NQSUEJMUZHMRBY-INIZCTEOSA-N 0 0 458.546 4.927 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@](C)(O)c2cccs2)c1C ZINC001360869013 1065995338 /nfs/dbraw/zinc/99/53/38/1065995338.db2.gz DASASTYFDWWQRE-UMEGOILYSA-N 0 0 470.639 4.619 20 0 JJADRN 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FPEMXERLXKIGSS-MHZLTWQESA-N 0 0 451.563 4.531 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)ccc2c1 ZINC001441001138 1065999149 /nfs/dbraw/zinc/99/91/49/1065999149.db2.gz GCXOROJOKLNRKB-HXUWFJFHSA-N 0 0 453.336 4.695 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CC(C)C)C(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)c1C ZINC001360869856 1065999885 /nfs/dbraw/zinc/99/98/85/1065999885.db2.gz KYQGRWMOQYBHBB-KDYSTLNUSA-N 0 0 467.658 4.917 20 0 JJADRN Cc1noc(C)c1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360869907 1066000102 /nfs/dbraw/zinc/00/01/02/1066000102.db2.gz RYYNGJKCRCZMDH-OAQYLSRUSA-N 0 0 497.640 4.718 20 0 JJADRN CCCCN(C)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441012905 1066000460 /nfs/dbraw/zinc/00/04/60/1066000460.db2.gz FRGMFSCSESHJPA-WINIVTDRSA-N 0 0 450.579 4.673 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360870096 1066000697 /nfs/dbraw/zinc/00/06/97/1066000697.db2.gz UNJTUDAHQNPERH-CCLHPLFOSA-N 0 0 478.641 4.746 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)c2)c1C ZINC001441014519 1066000902 /nfs/dbraw/zinc/00/09/02/1066000902.db2.gz VTGIJHWIPPACPT-HNNXBMFYSA-N 0 0 453.926 4.858 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cscn1 ZINC001360870163 1066001127 /nfs/dbraw/zinc/00/11/27/1066001127.db2.gz VSSGDCOFUXZNRG-LJQANCHMSA-N 0 0 465.627 4.526 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)nn3C)ccc2OC)cc1 ZINC001441017525 1066001396 /nfs/dbraw/zinc/00/13/96/1066001396.db2.gz JRAGNFZCUGYZCU-UHFFFAOYSA-N 0 0 452.511 4.704 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCc2cnn(C)c2)c1C ZINC001360870249 1066001514 /nfs/dbraw/zinc/00/15/14/1066001514.db2.gz NTGNWPXPHGQPKL-NRFANRHFSA-N 0 0 480.657 4.795 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360870204 1066001632 /nfs/dbraw/zinc/00/16/32/1066001632.db2.gz NMDVQZMGYVDUCC-IRFCIJBXSA-N 0 0 499.656 4.515 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H]2C[C@H]2C)c1C ZINC001360870441 1066002459 /nfs/dbraw/zinc/00/24/59/1066002459.db2.gz PKKLRRUPELZXEW-LSWJPFSZSA-N 0 0 467.658 4.774 20 0 JJADRN O=C(c1ccccc1O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001441038379 1066002676 /nfs/dbraw/zinc/00/26/76/1066002676.db2.gz MKZWMXSUEYAFIP-UHFFFAOYSA-N 0 0 457.393 4.841 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC001360870583 1066002769 /nfs/dbraw/zinc/00/27/69/1066002769.db2.gz BKIDVIDASGUPAO-FQEVSTJZSA-N 0 0 455.606 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001441044485 1066003054 /nfs/dbraw/zinc/00/30/54/1066003054.db2.gz BYQCBYULNCSYPT-QHCPKHFHSA-N 0 0 458.986 4.962 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)CC2 ZINC001441044412 1066003147 /nfs/dbraw/zinc/00/31/47/1066003147.db2.gz AHKFCIJYQZZDSS-AREMUKBSSA-N 0 0 450.966 4.621 20 0 JJADRN O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC001441043188 1066003182 /nfs/dbraw/zinc/00/31/82/1066003182.db2.gz CRBFJENBZFXFHL-UHFFFAOYSA-N 0 0 450.485 4.532 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1Br)Nc1ccccc1 ZINC001441046400 1066003543 /nfs/dbraw/zinc/00/35/43/1066003543.db2.gz CGGSIBUABIXYCG-CQSZACIVSA-N 0 0 452.299 4.544 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001441045280 1066003553 /nfs/dbraw/zinc/00/35/53/1066003553.db2.gz AQZPXHAQWXBIES-KXBFYZLASA-N 0 0 450.366 4.964 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Br)c1)Nc1ccccc1 ZINC001441049068 1066003983 /nfs/dbraw/zinc/00/39/83/1066003983.db2.gz ISQLVRDQPXCZFY-SFHVURJKSA-N 0 0 450.764 4.919 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(Nc2nccs2)cc1F)Nc1ccccc1 ZINC001441053804 1066004379 /nfs/dbraw/zinc/00/43/79/1066004379.db2.gz WCEINZVNGNNCCE-SFHVURJKSA-N 0 0 453.543 4.842 20 0 JJADRN C[C@@H](SCC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC001441051233 1066004427 /nfs/dbraw/zinc/00/44/27/1066004427.db2.gz PGUGXNFXBUXYIJ-IEBWSBKVSA-N 0 0 451.596 4.560 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[C@@H]43)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871108 1066004822 /nfs/dbraw/zinc/00/48/22/1066004822.db2.gz UJEBINMMTCDWTN-AABGKKOBSA-N 0 0 455.603 4.548 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)c1C ZINC001360871483 1066005082 /nfs/dbraw/zinc/00/50/82/1066005082.db2.gz XPCZLDIZXHKBCE-GGAORHGYSA-N 0 0 488.698 4.875 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC2CC2)c1C ZINC001360871486 1066005164 /nfs/dbraw/zinc/00/51/64/1066005164.db2.gz XPFZEJWVMIGQPE-LEWJYISDSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCCCO2)c1C ZINC001360871505 1066005510 /nfs/dbraw/zinc/00/55/10/1066005510.db2.gz XVCRBFGJFWNOCG-NHCUHLMSSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC2(O)CCOCC2)c1C ZINC001360871655 1066005627 /nfs/dbraw/zinc/00/56/27/1066005627.db2.gz YVGUZNDRYYPSFJ-LJQANCHMSA-N 0 0 494.558 4.665 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4[C@H](C3)C4(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1C ZINC001360871718 1066006055 /nfs/dbraw/zinc/00/60/55/1066006055.db2.gz ZTMBJHINLSBGMD-NJYVYQBISA-N 0 0 483.657 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC1CCC(F)(F)CC1 ZINC001545938005 1066006223 /nfs/dbraw/zinc/00/62/23/1066006223.db2.gz HDPLKLIQGRJLQO-SFHVURJKSA-N 0 0 457.635 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)CC3)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360872813 1066006688 /nfs/dbraw/zinc/00/66/88/1066006688.db2.gz AWAYAWWBSYGMBK-ZUQCGGBESA-N 0 0 468.614 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CCC(C)(F)F)c1C ZINC001360872761 1066006736 /nfs/dbraw/zinc/00/67/36/1066006736.db2.gz ABEMFMVZAVBONO-WOJBJXKFSA-N 0 0 472.584 4.883 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360872811 1066006775 /nfs/dbraw/zinc/00/67/75/1066006775.db2.gz AWAYAWWBSYGMBK-HYHKQLJDSA-N 0 0 468.614 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCc2ccncc2)c1C ZINC001360872791 1066006794 /nfs/dbraw/zinc/00/67/94/1066006794.db2.gz AOSFRBHLOYCAQE-VWNXMTODSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)CCCc4ccccc4Cl)CC3)n2)cc1 ZINC001441090666 1066006990 /nfs/dbraw/zinc/00/69/90/1066006990.db2.gz KJLOAPOMCBHJQX-LJQANCHMSA-N 0 0 452.986 4.927 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCOc1cccc(Cl)c1 ZINC001545938273 1066007409 /nfs/dbraw/zinc/00/74/09/1066007409.db2.gz OVBUNOMOZHLINV-HXUWFJFHSA-N 0 0 480.078 4.507 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCC([C@H](O)c2ccccc2)CC1 ZINC001441099091 1066007424 /nfs/dbraw/zinc/00/74/24/1066007424.db2.gz JBTVGCHLYNMLOT-GOSISDBHSA-N 0 0 453.174 4.797 20 0 JJADRN CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC001441099408 1066007596 /nfs/dbraw/zinc/00/75/96/1066007596.db2.gz WEBKOMHCNUSGRM-FQEVSTJZSA-N 0 0 452.624 4.519 20 0 JJADRN C[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccc1 ZINC001441103953 1066007979 /nfs/dbraw/zinc/00/79/79/1066007979.db2.gz URZHJCVEKMLHLU-KRWDZBQOSA-N 0 0 458.425 4.885 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[C@@H]2CCO[C@H](C)C2)c1C ZINC001360873007 1066007940 /nfs/dbraw/zinc/00/79/40/1066007940.db2.gz BFNYLTXRQNZYDC-OHUMZHCVSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(F)(F)F)c1C ZINC001360873434 1066008840 /nfs/dbraw/zinc/00/88/40/1066008840.db2.gz FJHPDBHFPZDBPZ-INIZCTEOSA-N 0 0 479.469 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2CCS(=O)(=O)CC2)c1C ZINC001360873447 1066008856 /nfs/dbraw/zinc/00/88/56/1066008856.db2.gz FLGJVOVMWITMEA-JTHBVZDNSA-N 0 0 488.698 4.732 20 0 JJADRN CCOc1cccc(CC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC001441120219 1066009177 /nfs/dbraw/zinc/00/91/77/1066009177.db2.gz TUFQEZNPZGMIPS-UHFFFAOYSA-N 0 0 456.011 4.749 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001441124515 1066009593 /nfs/dbraw/zinc/00/95/93/1066009593.db2.gz PLRKZPXAYIUOEC-NRFANRHFSA-N 0 0 454.979 4.992 20 0 JJADRN O=C([C@@H](O)c1cccc(Br)c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001441131444 1066009788 /nfs/dbraw/zinc/00/97/88/1066009788.db2.gz PIWWGBCCNRMNDK-KRWDZBQOSA-N 0 0 457.137 4.575 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC001441146411 1066010486 /nfs/dbraw/zinc/01/04/86/1066010486.db2.gz JJOJDUJBYARILS-UHFFFAOYSA-N 0 0 456.974 4.763 20 0 JJADRN CCN(Cc1ccccc1Cl)C(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001441150520 1066010589 /nfs/dbraw/zinc/01/05/89/1066010589.db2.gz KRFRXDVXVKVKBP-DEOSSOPVSA-N 0 0 451.007 4.621 20 0 JJADRN CCN(Cc1ccccc1Cl)C(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001441147952 1066010645 /nfs/dbraw/zinc/01/06/45/1066010645.db2.gz JBSADFYIMNBPKY-QFIPXVFZSA-N 0 0 456.011 4.788 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CCSC2)c1C ZINC001360873883 1066010625 /nfs/dbraw/zinc/01/06/25/1066010625.db2.gz KXUFJJRODJTIPQ-KSFYIVLOSA-N 0 0 483.465 4.802 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873866 1066010669 /nfs/dbraw/zinc/01/06/69/1066010669.db2.gz KTOJFAZSFVMIDZ-GOSISDBHSA-N 0 0 479.572 4.795 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CCN2CCOCC2(C)C)c1C ZINC001360873825 1066010720 /nfs/dbraw/zinc/01/07/20/1066010720.db2.gz IICWMCGKQQZNPX-QHCPKHFHSA-N 0 0 469.674 4.916 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3c3nncn3C)n2CCSC(C)C)c1C ZINC001360874224 1066012762 /nfs/dbraw/zinc/01/27/62/1066012762.db2.gz KXVICWMLNFXPQM-VQTJNVASSA-N 0 0 469.659 4.647 20 0 JJADRN CN(Cc1cccc(NC(=O)c2ccccc2CSc2nc[nH]n2)c1)C(=O)OC(C)(C)C ZINC001441190622 1066013612 /nfs/dbraw/zinc/01/36/12/1066013612.db2.gz VQGTZYNQSNXMIB-UHFFFAOYSA-N 0 0 453.568 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c2ccccc21 ZINC001441192189 1066014078 /nfs/dbraw/zinc/01/40/78/1066014078.db2.gz XINZSXYTQPKARO-OAQYLSRUSA-N 0 0 458.518 4.811 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CCOC[C@H]2C)c1C ZINC001360874511 1066013988 /nfs/dbraw/zinc/01/39/88/1066013988.db2.gz QEMKCNBLIYIHKX-GGAORHGYSA-N 0 0 499.700 4.540 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CC2(C)C)c1C ZINC001360874588 1066014374 /nfs/dbraw/zinc/01/43/74/1066014374.db2.gz RRMZLBZWLYQWFX-IRLDBZIGSA-N 0 0 467.658 4.776 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1cc2cccnc2cc1Br ZINC001545939101 1066014588 /nfs/dbraw/zinc/01/45/88/1066014588.db2.gz PMJYZOQDZIAQCD-ZDUSSCGKSA-N 0 0 459.365 4.581 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@H]2CCCCO2)c1C ZINC001360874748 1066015021 /nfs/dbraw/zinc/01/50/21/1066015021.db2.gz OJWQUZSRUIRDAL-BJKOFHAPSA-N 0 0 497.684 4.689 20 0 JJADRN CCN(Cc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(C)=O ZINC001441205766 1066015095 /nfs/dbraw/zinc/01/50/95/1066015095.db2.gz YOSVUZHOHLPFEG-UHFFFAOYSA-N 0 0 451.567 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccc(-c4ccccc4)cc3F)=NO2)C1 ZINC001441200512 1066015189 /nfs/dbraw/zinc/01/51/89/1066015189.db2.gz NNDSPRGRVPVGLM-VWLOTQADSA-N 0 0 453.514 4.977 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2=CCCOC2)c1C ZINC001360874839 1066015414 /nfs/dbraw/zinc/01/54/14/1066015414.db2.gz UZNGQEXXRSSQLH-JTHBVZDNSA-N 0 0 454.615 4.633 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)c(O)c2)c1 ZINC001441214700 1066015605 /nfs/dbraw/zinc/01/56/05/1066015605.db2.gz GFNDPAPSYDEOIF-FGZHOGPDSA-N 0 0 454.567 4.996 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360875078 1066016511 /nfs/dbraw/zinc/01/65/11/1066016511.db2.gz PXCVBFZCQLNCSN-AEFFLSMTSA-N 0 0 497.384 4.948 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCCO2)c1C ZINC001360875188 1066016921 /nfs/dbraw/zinc/01/69/21/1066016921.db2.gz XOLWNBWUEZXIDG-FYYLOGMGSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360875243 1066017377 /nfs/dbraw/zinc/01/73/77/1066017377.db2.gz XXXVZQZERQADAO-SFHVURJKSA-N 0 0 475.584 4.562 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CCCSC2)c1C ZINC001360875221 1066017415 /nfs/dbraw/zinc/01/74/15/1066017415.db2.gz XSXPBIHZOJLSFN-JTHBVZDNSA-N 0 0 499.725 4.873 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1C ZINC001360875434 1066017711 /nfs/dbraw/zinc/01/77/11/1066017711.db2.gz ZSHMENHAIJJSTG-OARGXFLPSA-N 0 0 497.684 4.578 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C(C)C)cc2C(C)C)cc(Br)cc1S(N)(=O)=O ZINC001441237662 1066018140 /nfs/dbraw/zinc/01/81/40/1066018140.db2.gz NGILZJYVEXQRRX-UHFFFAOYSA-N 0 0 453.402 4.904 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)cc2)cc1 ZINC001441247074 1066020075 /nfs/dbraw/zinc/02/00/75/1066020075.db2.gz UDBMKZXODDWTTF-GLYQVZKVSA-N 0 0 456.608 4.927 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC001441248862 1066020099 /nfs/dbraw/zinc/02/00/99/1066020099.db2.gz YJQXFFOUZYPDSO-UHFFFAOYSA-N 0 0 455.483 4.768 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC)c1nc(C(F)(F)F)cs1 ZINC001360876465 1066020471 /nfs/dbraw/zinc/02/04/71/1066020471.db2.gz RWJKUUHCBCZDCF-XKQJLSEDSA-N 0 0 453.530 4.729 20 0 JJADRN CC[C@H]1CCCN(C(=O)[C@@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001441250865 1066020777 /nfs/dbraw/zinc/02/07/77/1066020777.db2.gz UWVLYUMGMLJVRK-UQBPGWFLSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC001360876746 1066020932 /nfs/dbraw/zinc/02/09/32/1066020932.db2.gz AOWBQJGOLCAYLY-NMLBUPMWSA-N 0 0 493.574 4.995 20 0 JJADRN COc1cc(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)ccc1NC(=O)c1cccnc1 ZINC001441252856 1066021297 /nfs/dbraw/zinc/02/12/97/1066021297.db2.gz JPZQKRQOLKXSLK-UHFFFAOYSA-N 0 0 450.804 4.662 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360876890 1066022071 /nfs/dbraw/zinc/02/20/71/1066022071.db2.gz CWQHBHVPUFVPRN-UXHICEINSA-N 0 0 475.584 4.529 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360877285 1066022653 /nfs/dbraw/zinc/02/26/53/1066022653.db2.gz KBHYBJGXIIRSKJ-OKZBNKHCSA-N 0 0 487.517 4.588 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC2(C)CC2)c1C ZINC001360877381 1066022946 /nfs/dbraw/zinc/02/29/46/1066022946.db2.gz KRNVWPQUQPZKDC-FCHUYYIVSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360877545 1066023451 /nfs/dbraw/zinc/02/34/51/1066023451.db2.gz MLEPBRNUJNTSRG-HXUWFJFHSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360877649 1066023559 /nfs/dbraw/zinc/02/35/59/1066023559.db2.gz NDPNCGJLQJJOQK-DOTOQJQBSA-N 0 0 458.550 4.903 20 0 JJADRN O=C(NCc1cccc(COCc2ccco2)c1)C(F)(F)c1ncccc1Br ZINC001441304422 1066023717 /nfs/dbraw/zinc/02/37/17/1066023717.db2.gz FGXOJNFNQZISPA-UHFFFAOYSA-N 0 0 451.267 4.562 20 0 JJADRN Cc1cccc([C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)N2CCOCC2)c1 ZINC001441303725 1066023899 /nfs/dbraw/zinc/02/38/99/1066023899.db2.gz BLBJYGIKCYUUNZ-SANMLTNESA-N 0 0 459.590 4.546 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360877817 1066023970 /nfs/dbraw/zinc/02/39/70/1066023970.db2.gz ODBXMAPQYKSYGV-AKODCHRVSA-N 0 0 458.672 4.961 20 0 JJADRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC001441309370 1066024281 /nfs/dbraw/zinc/02/42/81/1066024281.db2.gz KKRWSGCLHGEGLN-UHFFFAOYSA-N 0 0 458.407 4.520 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)NCc1cccnc1OC1CCCC1)N2C(=O)OC(C)(C)C ZINC001441310171 1066024347 /nfs/dbraw/zinc/02/43/47/1066024347.db2.gz LYAORKQFLUZAKW-JOCHJYFZSA-N 0 0 451.567 4.694 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC001441311546 1066024969 /nfs/dbraw/zinc/02/49/69/1066024969.db2.gz MZKBEZBOKFUTBK-UHFFFAOYSA-N 0 0 459.537 4.653 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC001360878312 1066024972 /nfs/dbraw/zinc/02/49/72/1066024972.db2.gz VCDQCGHGNXOUSR-CYBMUJFWSA-N 0 0 452.407 4.814 20 0 JJADRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC001360878313 1066025486 /nfs/dbraw/zinc/02/54/86/1066025486.db2.gz VCDQCGHGNXOUSR-ZDUSSCGKSA-N 0 0 452.407 4.814 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1CCc1ccccc1C(F)(F)F ZINC001545940099 1066025465 /nfs/dbraw/zinc/02/54/65/1066025465.db2.gz RSGUBAJVLXVGIZ-SFHVURJKSA-N 0 0 483.604 4.790 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C2CC2)c1C ZINC001360878643 1066026489 /nfs/dbraw/zinc/02/64/89/1066026489.db2.gz XFYMXGBNOIYADW-IEBWSBKVSA-N 0 0 455.603 4.815 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001441318250 1066026940 /nfs/dbraw/zinc/02/69/40/1066026940.db2.gz JUCGMLFKFQPHAQ-FYINFDKHSA-N 0 0 470.894 4.914 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC2(F)CCC2)c1C ZINC001360878681 1066027114 /nfs/dbraw/zinc/02/71/14/1066027114.db2.gz YGFXMXZQLONGBG-NRFANRHFSA-N 0 0 471.621 4.622 20 0 JJADRN Cc1cccc([C@H](CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)N2CCOCC2)c1 ZINC001441319804 1066027415 /nfs/dbraw/zinc/02/74/15/1066027415.db2.gz SDILNMKJEUCLHA-MHZLTWQESA-N 0 0 456.586 4.815 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360878864 1066027359 /nfs/dbraw/zinc/02/73/59/1066027359.db2.gz BOCFLMIXTXUUBJ-RCZVLFRGSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccnc(C(F)(F)F)c2)c1C ZINC001360878788 1066027443 /nfs/dbraw/zinc/02/74/43/1066027443.db2.gz AECOFKSUQXFDTQ-POAQFYNOSA-N 0 0 489.542 4.704 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCn2cc(Cl)cn2)c1C ZINC001360878870 1066027822 /nfs/dbraw/zinc/02/78/22/1066027822.db2.gz BOOAECMAHYWRRR-WMZOPIPTSA-N 0 0 461.035 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360878943 1066027875 /nfs/dbraw/zinc/02/78/75/1066027875.db2.gz CQMSHEYJOQXXEF-PZJWPPBQSA-N 0 0 485.698 4.625 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1Cc1nc(C)c(C)s1 ZINC001545940230 1066027871 /nfs/dbraw/zinc/02/78/71/1066027871.db2.gz UWRRJSCMXVECDK-UHFFFAOYSA-N 0 0 476.716 4.574 20 0 JJADRN COc1cc(NC(=O)c2cccc3[nH]c(C)nc32)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441321972 1066027920 /nfs/dbraw/zinc/02/79/20/1066027920.db2.gz MKEWQPNSVOKMIR-HUUCEWRRSA-N 0 0 450.539 4.544 20 0 JJADRN Cc1ccc2c(C(=O)N(C)Cc3ccc(Br)o3)cc(-c3cnn(C)c3)nc2c1C ZINC001441322426 1066028027 /nfs/dbraw/zinc/02/80/27/1066028027.db2.gz BRNWOSZHCVTRCZ-UHFFFAOYSA-N 0 0 453.340 4.880 20 0 JJADRN Cc1cccc([C@H](CNC(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)N2CCOCC2)c1 ZINC001441321702 1066028057 /nfs/dbraw/zinc/02/80/57/1066028057.db2.gz VVIORRIVJKOMHS-OABJIQBASA-N 0 0 454.439 4.653 20 0 JJADRN Cc1noc(C)c1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360879041 1066028142 /nfs/dbraw/zinc/02/81/42/1066028142.db2.gz FFHMVUGWXKXWNC-PMACEKPBSA-N 0 0 453.587 4.692 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360879042 1066028156 /nfs/dbraw/zinc/02/81/56/1066028156.db2.gz FFHMVUGWXKXWNC-UXHICEINSA-N 0 0 453.587 4.692 20 0 JJADRN CSc1ncc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1-c1ccc(F)cc1 ZINC001441325481 1066028569 /nfs/dbraw/zinc/02/85/69/1066028569.db2.gz HOVMSHKVIWQLJO-FQEVSTJZSA-N 0 0 458.990 4.954 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 ZINC001360879062 1066028732 /nfs/dbraw/zinc/02/87/32/1066028732.db2.gz FMKGJMQGXVWKCT-OXJNMPFZSA-N 0 0 455.628 4.997 20 0 JJADRN CC(C)n1c(=O)[nH]c2ccc(C(=O)Nc3ccc(I)cc3Cl)cc21 ZINC001441326528 1066028883 /nfs/dbraw/zinc/02/88/83/1066028883.db2.gz JUEQEABAUVHRQC-UHFFFAOYSA-N 0 0 455.683 4.833 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1Cl)c1ccccc1 ZINC001441328748 1066028908 /nfs/dbraw/zinc/02/89/08/1066028908.db2.gz QYGGHMYCIWRQJQ-SJLPKXTDSA-N 0 0 451.958 4.628 20 0 JJADRN O=C(Nc1ccc(I)cc1Cl)[C@@H](O)c1ccccc1C(F)(F)F ZINC001441328882 1066029472 /nfs/dbraw/zinc/02/94/72/1066029472.db2.gz SSKQVIIOZQHCPZ-ZDUSSCGKSA-N 0 0 455.601 4.636 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccc(-c3nnco3)cc2)cs1 ZINC001441334818 1066029796 /nfs/dbraw/zinc/02/97/96/1066029796.db2.gz STMOUHFKNCUPBQ-UHFFFAOYSA-N 0 0 457.309 4.884 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545940405 1066029806 /nfs/dbraw/zinc/02/98/06/1066029806.db2.gz ZCGVUVGAZQEQSO-MSOLQXFVSA-N 0 0 473.687 4.513 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CCC(C)C ZINC001545940371 1066029818 /nfs/dbraw/zinc/02/98/18/1066029818.db2.gz YRXIRCQOTXTMBY-UHFFFAOYSA-N 0 0 454.644 4.836 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC(C)(C)C3)n2CCN(C)CC(F)(F)F)c1C ZINC001360879386 1066029879 /nfs/dbraw/zinc/02/98/79/1066029879.db2.gz KLLNJUDLDPEIII-SFHVURJKSA-N 0 0 485.620 4.861 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@@H]3C)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360879258 1066029964 /nfs/dbraw/zinc/02/99/64/1066029964.db2.gz IUOOEOOJAZEXBK-ICSRJNTNSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2CCOC(C)C)c1C ZINC001360879471 1066030212 /nfs/dbraw/zinc/03/02/12/1066030212.db2.gz LMYWMYASRWIBMA-IFMALSPDSA-N 0 0 498.628 4.544 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCOc2ncccc2F)c1C ZINC001360879559 1066030614 /nfs/dbraw/zinc/03/06/14/1066030614.db2.gz MNJOLWNVQOMZQD-XUVXKRRUSA-N 0 0 485.629 4.978 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCOc2ncccc2F)c1C ZINC001360879558 1066030855 /nfs/dbraw/zinc/03/08/55/1066030855.db2.gz MNJOLWNVQOMZQD-VAMGGRTRSA-N 0 0 485.629 4.978 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCCN(C)CC(F)(F)F)c1C ZINC001360879709 1066031229 /nfs/dbraw/zinc/03/12/29/1066031229.db2.gz OXHDTVBONGURDP-HKUYNNGSSA-N 0 0 485.620 4.861 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360879733 1066031597 /nfs/dbraw/zinc/03/15/97/1066031597.db2.gz PGAVBMOEVDGHSX-PZJWPPBQSA-N 0 0 479.625 4.881 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360879734 1066031606 /nfs/dbraw/zinc/03/16/06/1066031606.db2.gz PGAVBMOEVDGHSX-TZIWHRDSSA-N 0 0 479.625 4.881 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)o2)cc1NS(=O)(=O)c1ccccc1 ZINC001441352487 1066031883 /nfs/dbraw/zinc/03/18/83/1066031883.db2.gz NHOIOZVZMOCOIV-UHFFFAOYSA-N 0 0 454.426 4.582 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(C3)CCCCCC4)n2CC(C)(C)O)c1C ZINC001360879943 1066032137 /nfs/dbraw/zinc/03/21/37/1066032137.db2.gz SFBKUFBVNOWBQB-NRFANRHFSA-N 0 0 456.631 4.735 20 0 JJADRN Cc1sc(CC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)nc1-c1ccco1 ZINC001441351654 1066032178 /nfs/dbraw/zinc/03/21/78/1066032178.db2.gz YSRKMEGIEXGHBW-UHFFFAOYSA-N 0 0 453.545 4.694 20 0 JJADRN Cc1ccc(SCCNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001441353453 1066032197 /nfs/dbraw/zinc/03/21/97/1066032197.db2.gz VZPROYWUEODFOT-QFIPXVFZSA-N 0 0 453.608 4.821 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC2(O)CCCCCC2)c1C ZINC001360880217 1066032840 /nfs/dbraw/zinc/03/28/40/1066032840.db2.gz XUXIMWBTAHSNMD-UPVQGACJSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360880980 1066033619 /nfs/dbraw/zinc/03/36/19/1066033619.db2.gz FORJXECSQVJMTC-QGZVFWFLSA-N 0 0 485.057 4.977 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)CCCc3ccc(Br)s3)CC2)cc1 ZINC001360880509 1066033682 /nfs/dbraw/zinc/03/36/82/1066033682.db2.gz DKQAEYZWPYLLJV-UHFFFAOYSA-N 0 0 450.446 4.685 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC001360880690 1066033709 /nfs/dbraw/zinc/03/37/09/1066033709.db2.gz AQCBFRNAPXLPEX-QGZVFWFLSA-N 0 0 496.656 4.855 20 0 JJADRN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358928 1066034096 /nfs/dbraw/zinc/03/40/96/1066034096.db2.gz FCIDTXXWWBDWLC-OPAMFIHVSA-N 0 0 454.473 4.732 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC(NC(=O)C(C)C)CC3)cc2c1C ZINC001360881421 1066034408 /nfs/dbraw/zinc/03/44/08/1066034408.db2.gz LVCIRBIZFIOMFF-UHFFFAOYSA-N 0 0 464.658 4.754 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@](C)(O)C(C)C)c1C ZINC001360881587 1066034940 /nfs/dbraw/zinc/03/49/40/1066034940.db2.gz NVGIPANQKMSGHT-LLBVYWAGSA-N 0 0 474.556 4.962 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(CC(C)C)C(C)C)cc2c1C ZINC001360881819 1066034976 /nfs/dbraw/zinc/03/49/76/1066034976.db2.gz QDBSUZBPGVTWOI-UHFFFAOYSA-N 0 0 459.598 4.943 20 0 JJADRN COc1cc(CN(C(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C2CC2)ccc1OC(F)F ZINC001441366100 1066035494 /nfs/dbraw/zinc/03/54/94/1066035494.db2.gz RYTUOKNIJHGSBK-DOTOQJQBSA-N 0 0 468.541 4.871 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441367984 1066035544 /nfs/dbraw/zinc/03/55/44/1066035544.db2.gz SMGQYSQJGCXOPI-DLBZAZTESA-N 0 0 457.534 4.598 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441367996 1066035624 /nfs/dbraw/zinc/03/56/24/1066035624.db2.gz SMGQYSQJGCXOPI-SJORKVTESA-N 0 0 457.534 4.598 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC001360882489 1066035777 /nfs/dbraw/zinc/03/57/77/1066035777.db2.gz MNDAPPAIQYFDOH-UHFFFAOYSA-N 0 0 450.601 4.651 20 0 JJADRN O=C(Nc1cc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)ccc1F)C1CCCCC1 ZINC001441368046 1066036070 /nfs/dbraw/zinc/03/60/70/1066036070.db2.gz HCTMEJAKSXHBJT-UHFFFAOYSA-N 0 0 459.468 4.980 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCN2CCOCC2(C)C)c1C ZINC001360882949 1066036261 /nfs/dbraw/zinc/03/62/61/1066036261.db2.gz FJXXUYHXSJFGNK-HSZRJFAPSA-N 0 0 467.658 4.692 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2F)CC1 ZINC001360883137 1066036635 /nfs/dbraw/zinc/03/66/35/1066036635.db2.gz KKLCJTPKUHNAPL-GOSISDBHSA-N 0 0 455.509 4.717 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360883356 1066036860 /nfs/dbraw/zinc/03/68/60/1066036860.db2.gz PLPDEGFABUPMNN-MUUNZHRXSA-N 0 0 465.461 4.801 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)C(C)C)CC1 ZINC001360883256 1066036966 /nfs/dbraw/zinc/03/69/66/1066036966.db2.gz MYLJPEXJEBLQQT-LJQANCHMSA-N 0 0 460.022 4.780 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](C)N1CCOCC1 ZINC001360883657 1066037257 /nfs/dbraw/zinc/03/72/57/1066037257.db2.gz WCKPIVINWDKIEU-YADHBBJMSA-N 0 0 488.076 4.956 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](C)N1CCOCC1 ZINC001360883650 1066037471 /nfs/dbraw/zinc/03/74/71/1066037471.db2.gz WCKPIVINWDKIEU-FGZHOGPDSA-N 0 0 488.076 4.956 20 0 JJADRN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360883511 1066037573 /nfs/dbraw/zinc/03/75/73/1066037573.db2.gz UUASNQSOSQEXSW-WOJBJXKFSA-N 0 0 472.033 4.613 20 0 JJADRN CC(C)COc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC001441402869 1066037916 /nfs/dbraw/zinc/03/79/16/1066037916.db2.gz HZKZKXNUEJCPCV-UHFFFAOYSA-N 0 0 454.548 4.540 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001360883757 1066038018 /nfs/dbraw/zinc/03/80/18/1066038018.db2.gz XYKXFRQHJJHHGO-JIPXPUAJSA-N 0 0 468.642 4.718 20 0 JJADRN C[C@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001441404405 1066038268 /nfs/dbraw/zinc/03/82/68/1066038268.db2.gz KPXDFJLRPHHJCM-CLVCFQQCSA-N 0 0 451.567 4.531 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)nn1 ZINC001441405275 1066038281 /nfs/dbraw/zinc/03/82/81/1066038281.db2.gz DPYJPTLDHAHJIJ-JOCHJYFZSA-N 0 0 455.603 4.634 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001441404188 1066038286 /nfs/dbraw/zinc/03/82/86/1066038286.db2.gz ITMKKUAGTZDPJB-UHFFFAOYSA-N 0 0 450.560 4.774 20 0 JJADRN C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(OCc2cccnc2)cc1 ZINC001441406527 1066038301 /nfs/dbraw/zinc/03/83/01/1066038301.db2.gz NANAKJQECSJQBN-KRWDZBQOSA-N 0 0 451.523 4.769 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC001441404773 1066038357 /nfs/dbraw/zinc/03/83/57/1066038357.db2.gz KMNVSMQESIKNAL-QFIPXVFZSA-N 0 0 459.631 4.696 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)COC/C=C\c2ccccc2)cc1 ZINC001360884414 1066038447 /nfs/dbraw/zinc/03/84/47/1066038447.db2.gz SZVGTFZIRWNJGU-FLIBITNWSA-N 0 0 451.544 4.941 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001360884472 1066038681 /nfs/dbraw/zinc/03/86/81/1066038681.db2.gz VJPZLRXKUGHFED-WMIMKTLMSA-N 0 0 455.643 4.896 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)nc1)C1CCCCCC1 ZINC001441413232 1066038786 /nfs/dbraw/zinc/03/87/86/1066038786.db2.gz ATNIJYNKTMGYIF-GOSISDBHSA-N 0 0 459.509 4.503 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001441416975 1066039287 /nfs/dbraw/zinc/03/92/87/1066039287.db2.gz GJAGAYVECQCHPC-URSPUVDMSA-N 0 0 484.424 4.864 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360884923 1066039594 /nfs/dbraw/zinc/03/95/94/1066039594.db2.gz LVKZKABNRMLNIK-YWZLYKJASA-N 0 0 451.434 4.867 20 0 JJADRN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc(NC(N)=O)cc1 ZINC001441426283 1066040415 /nfs/dbraw/zinc/04/04/15/1066040415.db2.gz VPSDBLIRSMZBGD-LBPRGKRZSA-N 0 0 458.349 4.649 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)c1ccc(Br)cc1Br ZINC001441425055 1066040428 /nfs/dbraw/zinc/04/04/28/1066040428.db2.gz UCJFFRMMZLDAGY-UHFFFAOYSA-N 0 0 451.162 4.690 20 0 JJADRN C[C@@H](NC(=O)[C@@H](O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441425808 1066040471 /nfs/dbraw/zinc/04/04/71/1066040471.db2.gz GABUYXMTUMXNFV-VFNWGFHPSA-N 0 0 453.336 4.612 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441427080 1066040482 /nfs/dbraw/zinc/04/04/82/1066040482.db2.gz KHJHJHTWIICZCA-CQSZACIVSA-N 0 0 454.324 4.601 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC[C@@H]1c1ccccc1 ZINC001360886541 1066040672 /nfs/dbraw/zinc/04/06/72/1066040672.db2.gz AMFNEJDLZFHTKO-KNQAVFIVSA-N 0 0 450.966 4.847 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSCC(C)C)CC1 ZINC001360886447 1066040771 /nfs/dbraw/zinc/04/07/71/1066040771.db2.gz XPDCMOXVXCWLGC-UHFFFAOYSA-N 0 0 476.716 4.564 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)COCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC001441427372 1066040877 /nfs/dbraw/zinc/04/08/77/1066040877.db2.gz UBQUJESHMCWSDH-UHFFFAOYSA-N 0 0 452.576 4.977 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001360887010 1066041142 /nfs/dbraw/zinc/04/11/42/1066041142.db2.gz LZEOLXLMLDBMHE-KRWDZBQOSA-N 0 0 452.530 4.570 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001441437318 1066041304 /nfs/dbraw/zinc/04/13/04/1066041304.db2.gz WRESZZIMBLIOMT-UHFFFAOYSA-N 0 0 458.562 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)sc2C1 ZINC001545941914 1066041663 /nfs/dbraw/zinc/04/16/63/1066041663.db2.gz DFAZIABYVPOWFS-LJQANCHMSA-N 0 0 458.624 4.573 20 0 JJADRN CC/C(=C/C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1cccc(Cl)c1 ZINC001360888790 1066041922 /nfs/dbraw/zinc/04/19/22/1066041922.db2.gz IFZRWJOFRGXPLS-SQFISAMPSA-N 0 0 450.988 4.858 20 0 JJADRN Cc1cccc(COc2cccc(NC(=O)c3sccc3S(=O)(=O)N3CCCC3)c2)c1 ZINC001360888869 1066042025 /nfs/dbraw/zinc/04/20/25/1066042025.db2.gz LLEGHVXJBOFIPO-UHFFFAOYSA-N 0 0 456.589 4.672 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360889559 1066042290 /nfs/dbraw/zinc/04/22/90/1066042290.db2.gz LFBWTJCJLVFAJN-LEWJYISDSA-N 0 0 473.662 4.959 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360889560 1066042400 /nfs/dbraw/zinc/04/24/00/1066042400.db2.gz LFBWTJCJLVFAJN-NHCUHLMSSA-N 0 0 473.662 4.959 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N2CCc3sccc3C2)cc1 ZINC001441463875 1066043489 /nfs/dbraw/zinc/04/34/89/1066043489.db2.gz IXTBOOYEDBBFEM-JOCHJYFZSA-N 0 0 455.668 4.640 20 0 JJADRN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360892231 1066043958 /nfs/dbraw/zinc/04/39/58/1066043958.db2.gz QCMPYCAIINXVTN-FQEVSTJZSA-N 0 0 483.657 4.949 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2CCOC(C)(C)C)CC1 ZINC001360892478 1066044482 /nfs/dbraw/zinc/04/44/82/1066044482.db2.gz ABGVZVJSYOYGDH-UHFFFAOYSA-N 0 0 463.420 4.981 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(Br)n2)CC1 ZINC001360892585 1066044531 /nfs/dbraw/zinc/04/45/31/1066044531.db2.gz FBFHEOVOJCSRMZ-UYAOXDASSA-N 0 0 474.447 4.949 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccnc(Cl)c1I ZINC001441472527 1066044581 /nfs/dbraw/zinc/04/45/81/1066044581.db2.gz YIXYILVDGVTEHT-UHFFFAOYSA-N 0 0 458.702 4.721 20 0 JJADRN Cc1c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C)=C(C)C2)cnn1CC(C)C ZINC001360892612 1066044716 /nfs/dbraw/zinc/04/47/16/1066044716.db2.gz GAPSIUDJBWEMNW-DKXQDJALSA-N 0 0 497.688 4.805 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001360892607 1066044850 /nfs/dbraw/zinc/04/48/50/1066044850.db2.gz FYRHIIJFVSHUBB-UHFFFAOYSA-N 0 0 481.685 4.812 20 0 JJADRN CCCn1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)c1C ZINC001441476017 1066045092 /nfs/dbraw/zinc/04/50/92/1066045092.db2.gz SEGYECXGJRMDJN-QFIPXVFZSA-N 0 0 454.665 4.914 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(F)cc3C(F)(F)F)CC2)oc1C ZINC001360892820 1066045285 /nfs/dbraw/zinc/04/52/85/1066045285.db2.gz NOJXBCGAXZVXAN-UHFFFAOYSA-N 0 0 494.537 4.709 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCn2cc(Br)cn2)cc1C ZINC001360892977 1066045344 /nfs/dbraw/zinc/04/53/44/1066045344.db2.gz SXJXQMPWSDRQQE-UHFFFAOYSA-N 0 0 485.430 4.680 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)c1ccc(Cl)c(I)c1 ZINC001360893287 1066045684 /nfs/dbraw/zinc/04/56/84/1066045684.db2.gz GGMAABQDPYNPGG-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCc3nc(C(C)(C)C)cs3)CC2)oc1C ZINC001360893948 1066045980 /nfs/dbraw/zinc/04/59/80/1066045980.db2.gz BRCFQBIKNGPLIU-UHFFFAOYSA-N 0 0 499.729 4.790 20 0 JJADRN Cc1sc(Br)c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1C ZINC001360893598 1066046104 /nfs/dbraw/zinc/04/61/04/1066046104.db2.gz PGMKVVNKKOEXEK-UHFFFAOYSA-N 0 0 452.765 4.886 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)on1 ZINC001441493110 1066046519 /nfs/dbraw/zinc/04/65/19/1066046519.db2.gz KLHSNRNWVPNZQN-OAQYLSRUSA-N 0 0 452.555 4.830 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001441493296 1066046553 /nfs/dbraw/zinc/04/65/53/1066046553.db2.gz GXCUQXNSOAUAMS-FOIQADDNSA-N 0 0 452.542 4.716 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC4CCCC4)n3CC(C)(C)C(F)(F)F)CC2)oc1C ZINC001360894219 1066046559 /nfs/dbraw/zinc/04/65/59/1066046559.db2.gz KUCBURZIEWDUJN-UHFFFAOYSA-N 0 0 468.568 4.526 20 0 JJADRN C[C@H](CNC(=O)CCc1cccc(OCc2ccccc2)c1)N1CCN(c2ccccc2)CC1 ZINC001441491815 1066046657 /nfs/dbraw/zinc/04/66/57/1066046657.db2.gz HJSTTXDYWAALEF-XMMPIXPASA-N 0 0 457.618 4.525 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCCSCC(C)C)C2)sc1C ZINC001360894170 1066046594 /nfs/dbraw/zinc/04/65/94/1066046594.db2.gz JVNSYXXDMRCPHL-HXUWFJFHSA-N 0 0 490.743 4.751 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccc3F)CC2)oc1C ZINC001360894123 1066046601 /nfs/dbraw/zinc/04/66/01/1066046601.db2.gz IACKBHAZMYIHBY-UHFFFAOYSA-N 0 0 468.621 4.521 20 0 JJADRN O=C(Nc1cccc(OC(F)F)c1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001441497033 1066047062 /nfs/dbraw/zinc/04/70/62/1066047062.db2.gz ORTBXGQIEQJLLJ-UHFFFAOYSA-N 0 0 454.401 4.619 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cccnc4)n3CCCN(C)CC(F)(F)F)C2)sc1C ZINC001360894650 1066047222 /nfs/dbraw/zinc/04/72/22/1066047222.db2.gz RSFLDARPIWYWQV-IBGZPJMESA-N 0 0 493.603 4.682 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C)c(OC(F)F)c3)cc2)c1 ZINC001360894702 1066047260 /nfs/dbraw/zinc/04/72/60/1066047260.db2.gz IVXJAKMEAGNGEH-UHFFFAOYSA-N 0 0 456.445 4.875 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4cccc(Br)c4)n3CCC(C)C)CC2)oc1C ZINC001360894663 1066047361 /nfs/dbraw/zinc/04/73/61/1066047361.db2.gz SEQXJOUUMUUBNP-UHFFFAOYSA-N 0 0 487.446 4.681 20 0 JJADRN COc1ccc(NC(=O)c2cc(Br)ccc2N)cc1NC(=O)c1cccc(F)c1 ZINC001441512623 1066047366 /nfs/dbraw/zinc/04/73/66/1066047366.db2.gz ZWQHPCMASCSTOE-UHFFFAOYSA-N 0 0 458.287 4.684 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)C(C)(C)c3nccs3)cc2)cc1 ZINC001441523474 1066047806 /nfs/dbraw/zinc/04/78/06/1066047806.db2.gz QTARPTINUNBSJD-UHFFFAOYSA-N 0 0 451.592 4.843 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)sc1C ZINC001360895571 1066048338 /nfs/dbraw/zinc/04/83/38/1066048338.db2.gz HBXZGPCXQKXQHQ-MRXNPFEDSA-N 0 0 465.595 4.804 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)C(C)(C)[NH+]3CCCCC3)cc2)cc1 ZINC001441526350 1066048328 /nfs/dbraw/zinc/04/83/28/1066048328.db2.gz VQIBUHXXCNGZCT-UHFFFAOYSA-N 0 0 451.611 4.673 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cn1 ZINC001441537335 1066049113 /nfs/dbraw/zinc/04/91/13/1066049113.db2.gz UEEBDOLCNKQYFX-FQEVSTJZSA-N 0 0 456.587 4.601 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC(F)(F)CO3)C2)sc1C ZINC001360896011 1066049197 /nfs/dbraw/zinc/04/91/97/1066049197.db2.gz QZMBCKHOTXZCGM-IRXDYDNUSA-N 0 0 453.603 4.748 20 0 JJADRN COc1cc(CNC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)ccc1OCC(F)(F)F ZINC001441546471 1066049690 /nfs/dbraw/zinc/04/96/90/1066049690.db2.gz KSKIBWNWMJKSAT-UHFFFAOYSA-N 0 0 459.505 4.647 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)sc1C ZINC001360896099 1066049834 /nfs/dbraw/zinc/04/98/34/1066049834.db2.gz ULLAFTONPVKTLB-KSSFIOAISA-N 0 0 499.534 4.641 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCc2cnccn2)sc1C ZINC001360896073 1066049897 /nfs/dbraw/zinc/04/98/97/1066049897.db2.gz TUEOULOBTXRLTP-KRWDZBQOSA-N 0 0 498.056 4.856 20 0 JJADRN COc1cc(CNC(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)ccc1OCC(F)(F)F ZINC001441547970 1066050173 /nfs/dbraw/zinc/05/01/73/1066050173.db2.gz OZPMVQWSTUGZNX-UHFFFAOYSA-N 0 0 450.379 4.644 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@H](OC)C(C)C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC001360896677 1066050196 /nfs/dbraw/zinc/05/01/96/1066050196.db2.gz MGEAAFORTHBVRE-DEOSSOPVSA-N 0 0 458.562 4.805 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001441559498 1066050560 /nfs/dbraw/zinc/05/05/60/1066050560.db2.gz JURDWCZHOZZJQS-UHFFFAOYSA-N 0 0 453.461 4.798 20 0 JJADRN Cc1nc(CCn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)sc1C ZINC001360897522 1066050704 /nfs/dbraw/zinc/05/07/04/1066050704.db2.gz FPZMUYXKTWGKMY-UHFFFAOYSA-N 0 0 452.447 4.932 20 0 JJADRN Cc1nc(CCn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(Cl)cc2)sc1C ZINC001360898460 1066051331 /nfs/dbraw/zinc/05/13/31/1066051331.db2.gz SGGQEHYFQHDGJF-UHFFFAOYSA-N 0 0 457.003 4.758 20 0 JJADRN COc1cc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(Cl)c1OCCC(C)C ZINC001360898833 1066051875 /nfs/dbraw/zinc/05/18/75/1066051875.db2.gz ARGXZFXGCXEXSO-QGZVFWFLSA-N 0 0 454.995 4.855 20 0 JJADRN CC(=O)N1CCCN(C(=O)CCc2nc3cc(Br)ccc3s2)c2ccccc21 ZINC001360899354 1066052771 /nfs/dbraw/zinc/05/27/71/1066052771.db2.gz KVJRGWYAPQHFLW-UHFFFAOYSA-N 0 0 458.381 4.781 20 0 JJADRN COc1cc(NC(=O)c2nc(C(F)(F)F)n3ccccc23)ccc1NC(=O)OC(C)(C)C ZINC001441599541 1066052875 /nfs/dbraw/zinc/05/28/75/1066052875.db2.gz CKXFNVDHCKYEML-UHFFFAOYSA-N 0 0 450.417 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCCc2ccc(OCc3ccccc3)cc2)C1 ZINC001441608510 1066053054 /nfs/dbraw/zinc/05/30/54/1066053054.db2.gz BSECCDGWNSKZRC-QFIPXVFZSA-N 0 0 452.595 4.962 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N2CCC([C@H](CC(=O)OCC)c3ccccc3)CC2)cn1 ZINC001441608775 1066053416 /nfs/dbraw/zinc/05/34/16/1066053416.db2.gz BPUUAWJEXXOFPK-XMMPIXPASA-N 0 0 451.611 4.907 20 0 JJADRN Cc1nc(CCn2c(N3CC[C@H](C(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360899899 1066053529 /nfs/dbraw/zinc/05/35/29/1066053529.db2.gz UYOYTRVCIWRDBH-CYFREDJKSA-N 0 0 461.676 4.507 20 0 JJADRN Cc1nc(CCn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)sc1C ZINC001360900108 1066053768 /nfs/dbraw/zinc/05/37/68/1066053768.db2.gz YPUKYTOOVDGZLF-QGZVFWFLSA-N 0 0 457.648 4.782 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)sc1C ZINC001360900080 1066053828 /nfs/dbraw/zinc/05/38/28/1066053828.db2.gz XUNLYONQIFXIMB-INIZCTEOSA-N 0 0 459.582 4.730 20 0 JJADRN CCCNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)n2C)c1 ZINC001441613792 1066054149 /nfs/dbraw/zinc/05/41/49/1066054149.db2.gz KQRUUQUPXSEIHP-UHFFFAOYSA-N 0 0 454.368 4.524 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccc2F)sc1C ZINC001360900984 1066054083 /nfs/dbraw/zinc/05/40/83/1066054083.db2.gz BARAEDNEGQNACT-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)sc1C ZINC001360901010 1066054177 /nfs/dbraw/zinc/05/41/77/1066054177.db2.gz CANREEBSFGVVJO-OXQOHEQNSA-N 0 0 473.618 4.930 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CC2CCC(C(=O)OCC)CC2)CC1 ZINC001441615491 1066054495 /nfs/dbraw/zinc/05/44/95/1066054495.db2.gz SFORDSBJJLBZGX-BOYUCYPVSA-N 0 0 457.611 4.722 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)/C(=C/c3cccnc3)NC(=O)c3ccccc3)cn2)cc1 ZINC001441618464 1066055046 /nfs/dbraw/zinc/05/50/46/1066055046.db2.gz RUNJALSEDCVJAP-JLPGSUDCSA-N 0 0 450.498 4.987 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC2CC(F)C2)sc1C ZINC001360901705 1066055471 /nfs/dbraw/zinc/05/54/71/1066055471.db2.gz YZTNFZVQOVBHDN-UHFFFAOYSA-N 0 0 451.518 4.852 20 0 JJADRN CCOc1cc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)ccc1OC ZINC001441626579 1066055767 /nfs/dbraw/zinc/05/57/67/1066055767.db2.gz RIAGOPNUGNXEGF-WBWVDOBWSA-N 0 0 450.601 4.602 20 0 JJADRN Cc1nc(Cn2c(-c3cccnc3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)sc1C ZINC001360902485 1066055881 /nfs/dbraw/zinc/05/58/81/1066055881.db2.gz IHZBQFQEGUUYQQ-UHFFFAOYSA-N 0 0 465.530 4.573 20 0 JJADRN Cn1ccnc1CNc1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC001441627344 1066056332 /nfs/dbraw/zinc/05/63/32/1066056332.db2.gz BKIQVVKHRAZKPT-UHFFFAOYSA-N 0 0 450.436 4.702 20 0 JJADRN CC1CCN(c2ccc(CNC(=O)c3cccc4c3CCN4C(=O)OC(C)(C)C)cn2)CC1 ZINC001441629054 1066056687 /nfs/dbraw/zinc/05/66/87/1066056687.db2.gz ZUWKZDQSQAFVID-UHFFFAOYSA-N 0 0 450.583 4.546 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)NCCOc3ccc(C(F)(F)F)cc3)cc21 ZINC001441639186 1066056870 /nfs/dbraw/zinc/05/68/70/1066056870.db2.gz DQENLGZCCPRYSY-UHFFFAOYSA-N 0 0 457.246 4.767 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)sc1C ZINC001360904656 1066057968 /nfs/dbraw/zinc/05/79/68/1066057968.db2.gz MEKFYEORXRTLBG-HNNXBMFYSA-N 0 0 454.550 4.861 20 0 JJADRN Cc1nc(Cn2c(CC(C)C)nnc2N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)sc1C ZINC001360904445 1066057982 /nfs/dbraw/zinc/05/79/82/1066057982.db2.gz IYUSDPVUIPKVRM-KRWDZBQOSA-N 0 0 474.625 4.760 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001441653121 1066058025 /nfs/dbraw/zinc/05/80/25/1066058025.db2.gz UTYQVGWDKHLHSV-FQEVSTJZSA-N 0 0 455.942 4.545 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001441654851 1066058121 /nfs/dbraw/zinc/05/81/21/1066058121.db2.gz BWDMUPHPGVSYPI-PMACEKPBSA-N 0 0 452.595 4.932 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)noc2C)sc1C ZINC001360904683 1066058286 /nfs/dbraw/zinc/05/82/86/1066058286.db2.gz MOAVARVTHHKXDT-UHFFFAOYSA-N 0 0 457.003 4.885 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)sc1C ZINC001360904676 1066058387 /nfs/dbraw/zinc/05/83/87/1066058387.db2.gz CGKZQDJJLUMCLP-UHFFFAOYSA-N 0 0 486.045 4.619 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCc2ccccc2)n1Cc1nc(C)c(C)s1 ZINC001360904953 1066058666 /nfs/dbraw/zinc/05/86/66/1066058666.db2.gz QZNNLGXANRTTDT-UHFFFAOYSA-N 0 0 452.653 4.976 20 0 JJADRN Cc1nc(Cn2c(COc3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)sc1C ZINC001360904916 1066058676 /nfs/dbraw/zinc/05/86/76/1066058676.db2.gz HVOISYKNMOOWRR-UHFFFAOYSA-N 0 0 467.492 4.817 20 0 JJADRN COc1ccc(Oc2cc(CNC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccn2)cc1 ZINC001441665625 1066058963 /nfs/dbraw/zinc/05/89/63/1066058963.db2.gz ATUORRHADDIIRQ-RTBURBONSA-N 0 0 455.555 4.582 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N(C)Cc3cccc4ccccc43)CC2=O)ccc1Br ZINC001441662787 1066059016 /nfs/dbraw/zinc/05/90/16/1066059016.db2.gz FRGWFSFQTHWURY-LJQANCHMSA-N 0 0 451.364 4.922 20 0 JJADRN CC[C@]1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441668737 1066059545 /nfs/dbraw/zinc/05/95/45/1066059545.db2.gz HUPIHZAAHRQTNJ-VWLOTQADSA-N 0 0 455.555 4.536 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](OCC(C)C)C2)sc1C ZINC001360905506 1066059494 /nfs/dbraw/zinc/05/94/94/1066059494.db2.gz RSQBKKHGLATNBE-FQEVSTJZSA-N 0 0 476.046 4.883 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC(C)CC2)sc1C ZINC001360905508 1066059558 /nfs/dbraw/zinc/05/95/58/1066059558.db2.gz RYDDNLAFMNGHLO-UHFFFAOYSA-N 0 0 476.444 4.978 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)sc1C ZINC001360905418 1066059656 /nfs/dbraw/zinc/05/96/56/1066059656.db2.gz OHRNMBKQUODMSL-MRXNPFEDSA-N 0 0 455.628 4.501 20 0 JJADRN CCOC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001360906485 1066060260 /nfs/dbraw/zinc/06/02/60/1066060260.db2.gz FUMKJQFFURRTFB-MRXNPFEDSA-N 0 0 455.363 4.933 20 0 JJADRN COc1cc(CCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1C ZINC001360906347 1066060298 /nfs/dbraw/zinc/06/02/98/1066060298.db2.gz CNPJYDCMUXSFRL-UHFFFAOYSA-N 0 0 455.908 4.646 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)c2ccc(Cl)cc21 ZINC001360906576 1066060547 /nfs/dbraw/zinc/06/05/47/1066060547.db2.gz GXBCDFKHDCMWGP-GFCCVEGCSA-N 0 0 455.805 4.705 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCOc1ccccc1C(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001441681104 1066060852 /nfs/dbraw/zinc/06/08/52/1066060852.db2.gz BIQDKLWNPWOGAN-LJQANCHMSA-N 0 0 453.457 4.898 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC001360906661 1066060771 /nfs/dbraw/zinc/06/07/71/1066060771.db2.gz VSTUNVUXBPRTLN-UHFFFAOYSA-N 0 0 457.669 4.978 20 0 JJADRN CCN(C(=O)[C@@H](C)[C@H]1OCCc2sccc21)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906600 1066060880 /nfs/dbraw/zinc/06/08/80/1066060880.db2.gz HOGWEUATOBRYLL-FDDCHVKYSA-N 0 0 456.656 4.737 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)CCCCc1ccccc1 ZINC001441683644 1066061065 /nfs/dbraw/zinc/06/10/65/1066061065.db2.gz UGOOIYFDDNPCRZ-HHHXNRCGSA-N 0 0 452.595 4.843 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2ccnc(-c3ccccc3)c2N)ccc1OCc1ccncc1 ZINC001441687091 1066061116 /nfs/dbraw/zinc/06/11/16/1066061116.db2.gz KZCYNYUPGGBRQA-SFHVURJKSA-N 0 0 454.530 4.804 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001492597689 1066061322 /nfs/dbraw/zinc/06/13/22/1066061322.db2.gz DPGOMQRKLINLTE-LJQANCHMSA-N 0 0 467.580 4.674 20 0 JJADRN O=C(Cn1nnnc1-c1ccccc1)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001360907129 1066061448 /nfs/dbraw/zinc/06/14/48/1066061448.db2.gz VEJAUUALKACJHJ-UHFFFAOYSA-N 0 0 454.317 4.756 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC001441688918 1066061505 /nfs/dbraw/zinc/06/15/05/1066061505.db2.gz AKWPZUINGSLXLD-UHFFFAOYSA-N 0 0 456.594 4.688 20 0 JJADRN Cc1nc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC(C)(F)F)CC2)sc1C ZINC001360907386 1066061715 /nfs/dbraw/zinc/06/17/15/1066061715.db2.gz DPCVZBHLRYSAPV-UHFFFAOYSA-N 0 0 482.551 4.592 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001441694433 1066062143 /nfs/dbraw/zinc/06/21/43/1066062143.db2.gz SVUPENILPNREBP-NRFANRHFSA-N 0 0 457.571 4.828 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC001441695077 1066062210 /nfs/dbraw/zinc/06/22/10/1066062210.db2.gz QQHZCMCDAPJFES-SANMLTNESA-N 0 0 458.606 4.748 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC4CCCC4)n3CCSC(F)(F)F)CC2)sc1C ZINC001360907631 1066062512 /nfs/dbraw/zinc/06/25/12/1066062512.db2.gz MMYVHQANMSGCOT-UHFFFAOYSA-N 0 0 474.622 4.664 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCSC(C)C ZINC001360907999 1066062768 /nfs/dbraw/zinc/06/27/68/1066062768.db2.gz XLQSNYZIEFRIGR-PKOBYXMFSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCC1CCOCC1 ZINC001360908000 1066062835 /nfs/dbraw/zinc/06/28/35/1066062835.db2.gz XLSACYOSIHNMLU-UHFFFAOYSA-N 0 0 496.681 4.545 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)ccn1 ZINC001441704309 1066062962 /nfs/dbraw/zinc/06/29/62/1066062962.db2.gz SPZNTLLCSSURFE-QGZVFWFLSA-N 0 0 453.489 4.818 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC001441709320 1066063245 /nfs/dbraw/zinc/06/32/45/1066063245.db2.gz DETOTBXGZYVUBM-IEBWSBKVSA-N 0 0 469.557 4.839 20 0 JJADRN COc1cccc(-c2nc(C(=O)Nc3ccc(F)c(NC(=O)Cc4ccccc4)c3)c(C)[nH]2)c1 ZINC001441709508 1066063311 /nfs/dbraw/zinc/06/33/11/1066063311.db2.gz LKMLTSILZWSERW-UHFFFAOYSA-N 0 0 458.493 4.966 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCCc1ccccc1F ZINC001360908777 1066064406 /nfs/dbraw/zinc/06/44/06/1066064406.db2.gz PUDROYBYUZNHLH-UHFFFAOYSA-N 0 0 486.661 4.801 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001360908685 1066064544 /nfs/dbraw/zinc/06/45/44/1066064544.db2.gz HBWJNZHXMIVIAI-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCCCO ZINC001360908779 1066064577 /nfs/dbraw/zinc/06/45/77/1066064577.db2.gz PWIHXODXVHTKJI-KRWDZBQOSA-N 0 0 455.628 4.543 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001360908985 1066064948 /nfs/dbraw/zinc/06/49/48/1066064948.db2.gz UGENFFQKWJRBMM-RTBURBONSA-N 0 0 490.718 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1 ZINC001441733534 1066065113 /nfs/dbraw/zinc/06/51/13/1066065113.db2.gz NZQAMMZJIGISHO-UHFFFAOYSA-N 0 0 455.580 4.844 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCCCCO)n1C[C@@H]1CSCCS1 ZINC001360909046 1066065147 /nfs/dbraw/zinc/06/51/47/1066065147.db2.gz WCRGGOSCBPCGMQ-LJQANCHMSA-N 0 0 489.736 4.824 20 0 JJADRN Cc1cccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001441739739 1066065929 /nfs/dbraw/zinc/06/59/29/1066065929.db2.gz IBCPKFGPOXEORW-UHFFFAOYSA-N 0 0 458.967 4.600 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001441738459 1066065948 /nfs/dbraw/zinc/06/59/48/1066065948.db2.gz DTCKWLFCPVBNKE-SFHVURJKSA-N 0 0 456.593 4.707 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@H]2C(C)C)n1CCC(=O)NC(C)C ZINC001360910331 1066066273 /nfs/dbraw/zinc/06/62/73/1066066273.db2.gz COUYJQLVXFZTQC-FQEVSTJZSA-N 0 0 466.655 4.917 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCCCCC2)n1CCCC(=O)N(C)C ZINC001360910345 1066066336 /nfs/dbraw/zinc/06/63/36/1066066336.db2.gz CVMXHQWQTYNIFD-UHFFFAOYSA-N 0 0 452.628 4.626 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CCc3ccccc3)c2)C1 ZINC001441742440 1066066482 /nfs/dbraw/zinc/06/64/82/1066066482.db2.gz MPQBZKIGMQRHMY-IMSXRSKXSA-N 0 0 454.636 4.591 20 0 JJADRN C[C@](O)(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c(Br)c1 ZINC001441742364 1066066996 /nfs/dbraw/zinc/06/69/96/1066066996.db2.gz YTYCCUDNNHLOJJ-LJQANCHMSA-N 0 0 453.308 4.621 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(F)(F)CC2)n1CCC(=O)NC(C)(C)C ZINC001360910663 1066067071 /nfs/dbraw/zinc/06/70/71/1066067071.db2.gz MDIFLBYYUIFAHH-UHFFFAOYSA-N 0 0 488.608 4.917 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cc(-n2ccnc2)ccc1O ZINC001441752194 1066067648 /nfs/dbraw/zinc/06/76/48/1066067648.db2.gz RIRSYXNYOYIGLK-UHFFFAOYSA-N 0 0 455.337 4.640 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCSCC(C)C ZINC001360911037 1066067800 /nfs/dbraw/zinc/06/78/00/1066067800.db2.gz VALMBSMQDVQNCG-IBGZPJMESA-N 0 0 498.722 4.858 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC(F)(F)F ZINC001360911259 1066068320 /nfs/dbraw/zinc/06/83/20/1066068320.db2.gz ZKSRSKCPTMOKIS-HNNXBMFYSA-N 0 0 486.608 4.762 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001360911897 1066069117 /nfs/dbraw/zinc/06/91/17/1066069117.db2.gz ZSVMZLONRKIEBE-JKSUJKDBSA-N 0 0 462.570 4.541 20 0 JJADRN CCCCNc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441777630 1066069272 /nfs/dbraw/zinc/06/92/72/1066069272.db2.gz XMSCSEFCJPAURD-INIZCTEOSA-N 0 0 459.388 4.547 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360913209 1066069772 /nfs/dbraw/zinc/06/97/72/1066069772.db2.gz PSOVGMQCBUNYNT-FQEVSTJZSA-N 0 0 480.510 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1Cc2ccccc21)c1ccc(Br)cc1 ZINC001441794019 1066069763 /nfs/dbraw/zinc/06/97/63/1066069763.db2.gz DLTZWTBVBQWRFF-MWTRTKDXSA-N 0 0 459.384 4.645 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360913043 1066069932 /nfs/dbraw/zinc/06/99/32/1066069932.db2.gz KHZUQFSJDFKLHE-HUUCEWRRSA-N 0 0 493.450 4.841 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001441794795 1066070013 /nfs/dbraw/zinc/07/00/13/1066070013.db2.gz GFQZHKLHSLZSMS-QHCPKHFHSA-N 0 0 455.986 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCCCCOCCc2ccccc2)C1 ZINC001441792839 1066070023 /nfs/dbraw/zinc/07/00/23/1066070023.db2.gz LQSPQOLPQFOOIL-DEOSSOPVSA-N 0 0 452.595 4.677 20 0 JJADRN COc1cc(CN(C)C(=O)c2cc(Br)cc(N(C)C)c2)c(SC)cc1OC ZINC001360914550 1066070560 /nfs/dbraw/zinc/07/05/60/1066070560.db2.gz ZZRGQAQOCPVURM-UHFFFAOYSA-N 0 0 453.402 4.526 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1NC(=O)CC(C)C ZINC001441807740 1066070646 /nfs/dbraw/zinc/07/06/46/1066070646.db2.gz DERCBLLHTWYLFF-GOSISDBHSA-N 0 0 456.974 4.519 20 0 JJADRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001441811983 1066071475 /nfs/dbraw/zinc/07/14/75/1066071475.db2.gz HBTHJIHJTOLOOA-PZJWPPBQSA-N 0 0 457.615 4.889 20 0 JJADRN C[C@@H](C(=O)N1CCCN(C)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC001360915375 1066071541 /nfs/dbraw/zinc/07/15/41/1066071541.db2.gz FGOQRVVNWZWXHG-CYBMUJFWSA-N 0 0 454.739 4.921 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001360916166 1066071782 /nfs/dbraw/zinc/07/17/82/1066071782.db2.gz DBLKCWSAXMIQEC-RDJZCZTQSA-N 0 0 473.419 4.519 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360916205 1066071808 /nfs/dbraw/zinc/07/18/08/1066071808.db2.gz FLHILCYCOMVVLB-IRLDBZIGSA-N 0 0 483.661 4.807 20 0 JJADRN Cc1c(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1N1CCOC1=O ZINC001360915967 1066071819 /nfs/dbraw/zinc/07/18/19/1066071819.db2.gz WNIINJMPCFJBRE-HXUWFJFHSA-N 0 0 453.539 4.936 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360916534 1066072289 /nfs/dbraw/zinc/07/22/89/1066072289.db2.gz PVHHDMUXMBEUFQ-UHFFFAOYSA-N 0 0 487.073 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(F)c3)c1)C2 ZINC001441815889 1066072590 /nfs/dbraw/zinc/07/25/90/1066072590.db2.gz KPCCKEPWAAWXDO-HKBOAZHASA-N 0 0 453.514 4.805 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Nc3nccs3)cc2F)C1 ZINC001441813803 1066072605 /nfs/dbraw/zinc/07/26/05/1066072605.db2.gz PQJXXUHTTHHCAZ-CYBMUJFWSA-N 0 0 459.934 4.565 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001360917129 1066072516 /nfs/dbraw/zinc/07/25/16/1066072516.db2.gz IOPAUSNVGLCMTK-RLLQIKCJSA-N 0 0 457.368 4.553 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001360917446 1066072680 /nfs/dbraw/zinc/07/26/80/1066072680.db2.gz QJCJEHVNLXHTIF-JOCHJYFZSA-N 0 0 455.396 4.693 20 0 JJADRN C[C@H](NC(=O)c1cccc2[nH]c(C(F)F)nc21)c1cc2c(cc1Br)OCCO2 ZINC001441820520 1066073459 /nfs/dbraw/zinc/07/34/59/1066073459.db2.gz PPARXVZAUKLFPG-VIFPVBQESA-N 0 0 452.255 4.525 20 0 JJADRN COc1ccccc1CN(C(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1)C1CC1 ZINC001441820390 1066073550 /nfs/dbraw/zinc/07/35/50/1066073550.db2.gz WPUZDNMCUAZXOQ-UHFFFAOYSA-N 0 0 454.567 4.746 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360918199 1066073791 /nfs/dbraw/zinc/07/37/91/1066073791.db2.gz LWYRWNSQVOITHI-VQTJNVASSA-N 0 0 499.656 4.863 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(F)ccc1Br ZINC001441824106 1066073954 /nfs/dbraw/zinc/07/39/54/1066073954.db2.gz NMWFEFKUHWDTAW-SFHVURJKSA-N 0 0 455.755 4.703 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001441824035 1066074037 /nfs/dbraw/zinc/07/40/37/1066074037.db2.gz XQYMNBFWKXCQKP-BGYRXZFFSA-N 0 0 450.608 4.834 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001360918478 1066074189 /nfs/dbraw/zinc/07/41/89/1066074189.db2.gz UBHNEGFBZPWPEM-IBGZPJMESA-N 0 0 490.471 4.967 20 0 JJADRN Cc1ncsc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1 ZINC001360918538 1066074309 /nfs/dbraw/zinc/07/43/09/1066074309.db2.gz VNVGTUPYFXJTKB-UHFFFAOYSA-N 0 0 487.073 4.884 20 0 JJADRN O=C(NCc1cc(F)ccc1Br)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001441826531 1066074344 /nfs/dbraw/zinc/07/43/44/1066074344.db2.gz QYDCJZNTHQGNGG-UHFFFAOYSA-N 0 0 453.109 4.671 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360918420 1066074365 /nfs/dbraw/zinc/07/43/65/1066074365.db2.gz RODAZFKMIZVCJH-KRWDZBQOSA-N 0 0 488.057 4.776 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001360918608 1066074623 /nfs/dbraw/zinc/07/46/23/1066074623.db2.gz XCVZLQOCYDTICB-SFHVURJKSA-N 0 0 473.618 4.959 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)cc1Cl ZINC001441827965 1066074942 /nfs/dbraw/zinc/07/49/42/1066074942.db2.gz UQQVPVRGOGDZTA-UHFFFAOYSA-N 0 0 451.995 4.844 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001360919783 1066074989 /nfs/dbraw/zinc/07/49/89/1066074989.db2.gz BALSHTRYNQEYCO-ZIAGYGMSSA-N 0 0 467.458 4.995 20 0 JJADRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1 ZINC001441862080 1066075257 /nfs/dbraw/zinc/07/52/57/1066075257.db2.gz ITKSBXFFXJDNJH-UHFFFAOYSA-N 0 0 453.370 4.859 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccco1 ZINC001360919896 1066075555 /nfs/dbraw/zinc/07/55/55/1066075555.db2.gz FCSDEAZDGNPQSC-UHFFFAOYSA-N 0 0 458.385 4.945 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360920022 1066075841 /nfs/dbraw/zinc/07/58/41/1066075841.db2.gz KINCRYKFUJJEKL-QGZVFWFLSA-N 0 0 451.518 4.500 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874129 1066076204 /nfs/dbraw/zinc/07/62/04/1066076204.db2.gz ZETSSTYCKRMWKA-PXDATVDWSA-N 0 0 459.590 4.901 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001441873788 1066076409 /nfs/dbraw/zinc/07/64/09/1066076409.db2.gz XUHIHYHLOMNWAG-YYWHXJBOSA-N 0 0 454.567 4.612 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1 ZINC001360920435 1066076747 /nfs/dbraw/zinc/07/67/47/1066076747.db2.gz WNDVLZOEVVPENZ-UHFFFAOYSA-N 0 0 481.470 4.870 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360920424 1066076647 /nfs/dbraw/zinc/07/66/47/1066076647.db2.gz WBYAMCRZLCMWKM-JOCHJYFZSA-N 0 0 483.682 4.880 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360920398 1066076806 /nfs/dbraw/zinc/07/68/06/1066076806.db2.gz VGBCOCWBGDCHAT-IBGZPJMESA-N 0 0 482.654 4.646 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360922280 1066077860 /nfs/dbraw/zinc/07/78/60/1066077860.db2.gz XCRAZCWHDHEUDF-MOPGFXCFSA-N 0 0 484.670 4.636 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360922282 1066078024 /nfs/dbraw/zinc/07/80/24/1066078024.db2.gz XCRAZCWHDHEUDF-OALUTQOASA-N 0 0 484.670 4.636 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCCCO ZINC001360922775 1066078288 /nfs/dbraw/zinc/07/82/88/1066078288.db2.gz CERCORSSLADPIA-FQEVSTJZSA-N 0 0 491.702 4.604 20 0 JJADRN O=C(NCCN1C(=O)CSC1=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001441886561 1066078317 /nfs/dbraw/zinc/07/83/17/1066078317.db2.gz DDSFMIMJQLKGTN-UHFFFAOYSA-N 0 0 455.388 4.711 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001360923444 1066079102 /nfs/dbraw/zinc/07/91/02/1066079102.db2.gz TXLRIBMUPXXHAG-HXUWFJFHSA-N 0 0 465.667 4.969 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 ZINC001360923570 1066079524 /nfs/dbraw/zinc/07/95/24/1066079524.db2.gz XCEYYJLDOJVMNH-UHFFFAOYSA-N 0 0 452.422 4.866 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 ZINC001360923639 1066079532 /nfs/dbraw/zinc/07/95/32/1066079532.db2.gz YVHWLPXBZDCVLJ-IBGZPJMESA-N 0 0 475.659 4.580 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001360923531 1066079613 /nfs/dbraw/zinc/07/96/13/1066079613.db2.gz WEKGMXJTLDJXAA-IBGZPJMESA-N 0 0 486.642 4.630 20 0 JJADRN O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001441893886 1066079614 /nfs/dbraw/zinc/07/96/14/1066079614.db2.gz QSDYGIFXJFALMO-RYUDHWBXSA-N 0 0 455.329 4.712 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001441893835 1066079629 /nfs/dbraw/zinc/07/96/29/1066079629.db2.gz PVYUSRVMYCAYQO-FQEVSTJZSA-N 0 0 451.007 4.995 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360923954 1066079980 /nfs/dbraw/zinc/07/99/80/1066079980.db2.gz GOYWLMVVUUYBRV-OAQYLSRUSA-N 0 0 471.593 4.548 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)CCCOc2ccc(Cl)cc2)cs1 ZINC001441896855 1066079986 /nfs/dbraw/zinc/07/99/86/1066079986.db2.gz YGEIQXAONGJMIJ-AWEZNQCLSA-N 0 0 453.992 4.923 20 0 JJADRN Cc1ccsc1CCn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360924191 1066080388 /nfs/dbraw/zinc/08/03/88/1066080388.db2.gz KRWQDGFWFGPRHD-HKUYNNGSSA-N 0 0 459.660 4.583 20 0 JJADRN Cc1ccsc1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360924423 1066080570 /nfs/dbraw/zinc/08/05/70/1066080570.db2.gz OULHVUAHCXLIRN-QHCPKHFHSA-N 0 0 479.694 4.807 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(F)cc2I)cc1 ZINC001360925370 1066081197 /nfs/dbraw/zinc/08/11/97/1066081197.db2.gz BOQGUYTUBIJNTF-DNVCBOLYSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001441926079 1066081255 /nfs/dbraw/zinc/08/12/55/1066081255.db2.gz DDEUJLBJAOLLNX-UHFFFAOYSA-N 0 0 453.370 4.571 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001360925636 1066081618 /nfs/dbraw/zinc/08/16/18/1066081618.db2.gz MODDGLSZNKXAPC-UHFFFAOYSA-N 0 0 452.477 4.863 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(-c3ccccc3)cn2)c(C)c1C ZINC001441943744 1066081743 /nfs/dbraw/zinc/08/17/43/1066081743.db2.gz DZKTWIAAABFXRI-UHFFFAOYSA-N 0 0 451.592 4.598 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001441937955 1066081840 /nfs/dbraw/zinc/08/18/40/1066081840.db2.gz WKPOTHZLVRMGBB-UHFFFAOYSA-N 0 0 457.361 4.571 20 0 JJADRN Cc1ccsc1CCn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br ZINC001360925740 1066082003 /nfs/dbraw/zinc/08/20/03/1066082003.db2.gz AMWZYMWXIJOUKN-UHFFFAOYSA-N 0 0 461.364 4.936 20 0 JJADRN COc1cccc(Oc2ccc(NC(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001441947371 1066082221 /nfs/dbraw/zinc/08/22/21/1066082221.db2.gz GMABUUKSWOVPJV-RUZDIDTESA-N 0 0 456.539 4.578 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360925948 1066082204 /nfs/dbraw/zinc/08/22/04/1066082204.db2.gz DIQKENHCTLYVEM-OALUTQOASA-N 0 0 489.686 4.966 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360925960 1066082354 /nfs/dbraw/zinc/08/23/54/1066082354.db2.gz DQMILXHJWQHESA-LZLYRXPVSA-N 0 0 453.603 4.686 20 0 JJADRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001360926184 1066082721 /nfs/dbraw/zinc/08/27/21/1066082721.db2.gz YWJSTQICTHEIMZ-UHFFFAOYSA-N 0 0 455.477 4.502 20 0 JJADRN Cc1ncsc1CCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360926471 1066083183 /nfs/dbraw/zinc/08/31/83/1066083183.db2.gz QIDIFWTVVLQVGU-BXKMTCNYSA-N 0 0 491.608 4.802 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360926561 1066083521 /nfs/dbraw/zinc/08/35/21/1066083521.db2.gz SWAIEAUQKRQPBF-HNNXBMFYSA-N 0 0 462.019 4.522 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(Br)ccc1F ZINC001360928023 1066083922 /nfs/dbraw/zinc/08/39/22/1066083922.db2.gz VOSCFXJDDWALRG-SFHVURJKSA-N 0 0 452.320 4.973 20 0 JJADRN O=C(Cc1ccccc1)NCCC(=O)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC001360928410 1066084188 /nfs/dbraw/zinc/08/41/88/1066084188.db2.gz HAOMWNAZWRSGSV-UHFFFAOYSA-N 0 0 457.448 4.939 20 0 JJADRN O=C(Nc1cccc(COc2ccccc2)c1)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001441985279 1066084255 /nfs/dbraw/zinc/08/42/55/1066084255.db2.gz FGAOFBYOHNNXCX-UHFFFAOYSA-N 0 0 455.383 4.663 20 0 JJADRN O=C(/C=C/Sc1cc(F)ccc1F)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441990786 1066084390 /nfs/dbraw/zinc/08/43/90/1066084390.db2.gz ZITXSLJYFVXIKQ-IZZDOVSWSA-N 0 0 457.329 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)c2C1 ZINC001441985811 1066084524 /nfs/dbraw/zinc/08/45/24/1066084524.db2.gz HJJNHWXDPFYYAC-UHFFFAOYSA-N 0 0 459.978 4.599 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccn1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441992028 1066084538 /nfs/dbraw/zinc/08/45/38/1066084538.db2.gz ZTNUPXRDMRWLGH-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(C)C)cc2)cc1OC ZINC001442011336 1066085233 /nfs/dbraw/zinc/08/52/33/1066085233.db2.gz DRYPJXNVZVMXIE-UHFFFAOYSA-N 0 0 454.548 4.880 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCCCO2)cnn1C ZINC001360929849 1066086171 /nfs/dbraw/zinc/08/61/71/1066086171.db2.gz NTNKQVXQMKLFIH-NQIIRXRSSA-N 0 0 473.021 4.709 20 0 JJADRN C[C@@H](COc1ccc(F)cc1)NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001442026676 1066086495 /nfs/dbraw/zinc/08/64/95/1066086495.db2.gz DNZLBOSAKNOFJB-KKSFZXQISA-N 0 0 456.514 4.591 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncccc1N(C)C ZINC001360930057 1066086674 /nfs/dbraw/zinc/08/66/74/1066086674.db2.gz RHMIJAZMHYHEGX-GOSISDBHSA-N 0 0 464.545 4.604 20 0 JJADRN O=C(CCNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccc(Br)cc1 ZINC001442031815 1066086912 /nfs/dbraw/zinc/08/69/12/1066086912.db2.gz SFVQVJSDPKMUHE-UHFFFAOYSA-N 0 0 454.246 4.708 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360930332 1066087059 /nfs/dbraw/zinc/08/70/59/1066087059.db2.gz TVUUMXKNRTVNLF-KSZLIROESA-N 0 0 459.591 4.510 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)(F)F)cnn1C ZINC001360930766 1066087357 /nfs/dbraw/zinc/08/73/57/1066087357.db2.gz XJTAKNRESLUHRA-OAHLLOKOSA-N 0 0 486.926 4.676 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442049771 1066087666 /nfs/dbraw/zinc/08/76/66/1066087666.db2.gz MXIFHZSCDOEIGQ-QRFQSNJMSA-N 0 0 451.405 4.534 20 0 JJADRN CCCN(C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930936 1066087824 /nfs/dbraw/zinc/08/78/24/1066087824.db2.gz JZGTUPCYODJAMP-WMZHIEFXSA-N 0 0 457.565 4.973 20 0 JJADRN CCCN(C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930934 1066087871 /nfs/dbraw/zinc/08/78/71/1066087871.db2.gz JZGTUPCYODJAMP-CVDCTZTESA-N 0 0 457.565 4.973 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360931083 1066088167 /nfs/dbraw/zinc/08/81/67/1066088167.db2.gz ZUKJBBGTRLHOAY-SFHVURJKSA-N 0 0 499.587 4.962 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1 ZINC001360932002 1066089063 /nfs/dbraw/zinc/08/90/63/1066089063.db2.gz BQGAOFAAOZZGRV-ZBFHGGJFSA-N 0 0 476.444 4.924 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001360932341 1066089711 /nfs/dbraw/zinc/08/97/11/1066089711.db2.gz BSIYPBMFKARSEV-QGZVFWFLSA-N 0 0 459.512 4.677 20 0 JJADRN CC(C)n1ncc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)c1Br ZINC001442074626 1066090203 /nfs/dbraw/zinc/09/02/03/1066090203.db2.gz NVJOOUNKLJUJQI-UHFFFAOYSA-N 0 0 455.194 4.841 20 0 JJADRN Cc1cccc([C@@H]2CCCN2C(=O)CCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC001442078968 1066090518 /nfs/dbraw/zinc/09/05/18/1066090518.db2.gz UWDXQXAKYKAKIJ-FQEVSTJZSA-N 0 0 450.398 4.675 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCCC(C)C)cnn1C ZINC001360932911 1066090714 /nfs/dbraw/zinc/09/07/14/1066090714.db2.gz UOZCGFRYWJCEAB-UHFFFAOYSA-N 0 0 463.399 4.961 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2)cnn1C ZINC001360932934 1066091274 /nfs/dbraw/zinc/09/12/74/1066091274.db2.gz VIBYGEIFRDROPE-LJQANCHMSA-N 0 0 475.460 4.672 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C ZINC001442081535 1066091357 /nfs/dbraw/zinc/09/13/57/1066091357.db2.gz AVSCTNJGDIGUNB-GOSISDBHSA-N 0 0 454.615 4.716 20 0 JJADRN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC001360933623 1066091619 /nfs/dbraw/zinc/09/16/19/1066091619.db2.gz KKMQHPSBIBOWOY-XMSQKQJNSA-N 0 0 454.567 4.762 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)c1ccco1 ZINC001360934516 1066091912 /nfs/dbraw/zinc/09/19/12/1066091912.db2.gz BRWXJJGETVDZLP-JOCHJYFZSA-N 0 0 489.345 4.885 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001442089396 1066092216 /nfs/dbraw/zinc/09/22/16/1066092216.db2.gz BQNCGYSGGZPBKI-UHFFFAOYSA-N 0 0 457.615 4.925 20 0 JJADRN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001442092041 1066092339 /nfs/dbraw/zinc/09/23/39/1066092339.db2.gz JFUDCZKQQAMMEW-JTOYMXJDSA-N 0 0 457.574 4.734 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC2CCCCC2)cnn1C ZINC001360934523 1066092433 /nfs/dbraw/zinc/09/24/33/1066092433.db2.gz CBFCYCJULLRGBY-UHFFFAOYSA-N 0 0 491.684 4.760 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)Cc3c[nH]c4ccc(Br)cc34)cc2)CC1 ZINC001442097359 1066092578 /nfs/dbraw/zinc/09/25/78/1066092578.db2.gz XAABUMPQANYQQM-UHFFFAOYSA-N 0 0 454.368 4.984 20 0 JJADRN Cc1cccc(C(=O)NCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001442096519 1066092674 /nfs/dbraw/zinc/09/26/74/1066092674.db2.gz RVEPKRLZJAMHBD-UHFFFAOYSA-N 0 0 455.341 4.693 20 0 JJADRN CO[C@@H](CNC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccccc1 ZINC001442092070 1066092693 /nfs/dbraw/zinc/09/26/93/1066092693.db2.gz JNBQJENBQFNBSE-UZLBHIALSA-N 0 0 451.348 4.754 20 0 JJADRN CO[C@H](CNC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 ZINC001442092062 1066092724 /nfs/dbraw/zinc/09/27/24/1066092724.db2.gz JNBQJENBQFNBSE-OXJNMPFZSA-N 0 0 451.348 4.754 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CCCCO2)cnn1C ZINC001360934629 1066092753 /nfs/dbraw/zinc/09/27/53/1066092753.db2.gz GIALLIZQWGULEH-KRWDZBQOSA-N 0 0 493.837 4.608 20 0 JJADRN CCN(CC)C(=O)C1(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCCCC1 ZINC001442100107 1066093092 /nfs/dbraw/zinc/09/30/92/1066093092.db2.gz YIRZNTOCOLDJCQ-NRFANRHFSA-N 0 0 459.631 4.720 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[C@@H](C)C2)cnn1C ZINC001360934753 1066093160 /nfs/dbraw/zinc/09/31/60/1066093160.db2.gz KOVMFPCKVVNBGS-ZBFHGGJFSA-N 0 0 475.410 4.961 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@@H](C)C2)cnn1C ZINC001360934699 1066093201 /nfs/dbraw/zinc/09/32/01/1066093201.db2.gz INGNKBZSPMDOAK-GOEBONIOSA-N 0 0 493.475 4.653 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCc2ccccc2N2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001442102964 1066093385 /nfs/dbraw/zinc/09/33/85/1066093385.db2.gz WJUNRVGDCPQHKT-NZQKXSOJSA-N 0 0 459.512 4.532 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCc2ccccc2N2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001442102967 1066093487 /nfs/dbraw/zinc/09/34/87/1066093487.db2.gz WJUNRVGDCPQHKT-OFNKIYASSA-N 0 0 459.512 4.532 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(C)(F)F)c2)cnn1C ZINC001360934875 1066093552 /nfs/dbraw/zinc/09/35/52/1066093552.db2.gz PKBYQVCNHOYXFH-UHFFFAOYSA-N 0 0 471.943 4.832 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2CCOCC2)cnn1C ZINC001360934933 1066093999 /nfs/dbraw/zinc/09/39/99/1066093999.db2.gz QVZUQXFRBAUVCH-UHFFFAOYSA-N 0 0 450.631 4.738 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@H]2C(C)C)cnn1C ZINC001360934913 1066094028 /nfs/dbraw/zinc/09/40/28/1066094028.db2.gz QPFHCFISRXNSDX-BEFAXECRSA-N 0 0 493.475 4.509 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@@H]2C(C)C)cnn1C ZINC001360934914 1066094085 /nfs/dbraw/zinc/09/40/85/1066094085.db2.gz QPFHCFISRXNSDX-DNVCBOLYSA-N 0 0 493.475 4.509 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442106545 1066094110 /nfs/dbraw/zinc/09/41/10/1066094110.db2.gz JVVQEYIUUOYPGR-INIZCTEOSA-N 0 0 451.317 4.603 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC001442106575 1066094362 /nfs/dbraw/zinc/09/43/62/1066094362.db2.gz QNGWDQKCSUEVRY-UHFFFAOYSA-N 0 0 455.514 4.892 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442110470 1066094703 /nfs/dbraw/zinc/09/47/03/1066094703.db2.gz VRTZXCHRLAOYEY-FZKQIMNGSA-N 0 0 458.274 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC001442112934 1066095519 /nfs/dbraw/zinc/09/55/19/1066095519.db2.gz HMDMFWTWVMKQQZ-FYGXRCCRSA-N 0 0 455.530 4.833 20 0 JJADRN O=C(NCCOc1cccc(Cl)c1Cl)c1c(O)cnc2c(Br)cccc21 ZINC001442113539 1066096037 /nfs/dbraw/zinc/09/60/37/1066096037.db2.gz UGGAOOGEIVMPAF-UHFFFAOYSA-N 0 0 456.123 4.819 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)ccc1Br ZINC001442114309 1066096184 /nfs/dbraw/zinc/09/61/84/1066096184.db2.gz XZVVECMNSIGYQF-SFHVURJKSA-N 0 0 459.428 4.572 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccnc2)n1CCc1cc(Br)ccc1F ZINC001360936649 1066096311 /nfs/dbraw/zinc/09/63/11/1066096311.db2.gz DBHUTCPQUGETPT-UHFFFAOYSA-N 0 0 487.402 4.886 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)CCc2cc(Br)ccc2F)C1)C(=O)OC(C)(C)C ZINC001442116829 1066096555 /nfs/dbraw/zinc/09/65/55/1066096555.db2.gz LFPCFJSYAUDBGA-OAHLLOKOSA-N 0 0 457.384 4.626 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC001360937527 1066096753 /nfs/dbraw/zinc/09/67/53/1066096753.db2.gz MJIMJQCKUDQRTM-IERDGZPVSA-N 0 0 450.970 4.882 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2Oc2ccc(C)cc2OC)c(N)c1 ZINC001442120494 1066096937 /nfs/dbraw/zinc/09/69/37/1066096937.db2.gz UNICETVBDFOZNN-UHFFFAOYSA-N 0 0 458.511 4.563 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(-c4ccccc4)on3)n2CCSCC(F)(F)F)cnn1C ZINC001360938666 1066097210 /nfs/dbraw/zinc/09/72/10/1066097210.db2.gz UEQYPTUDRBVHNY-UHFFFAOYSA-N 0 0 491.543 4.574 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl)c1ccc(F)cc1 ZINC001442149538 1066097614 /nfs/dbraw/zinc/09/76/14/1066097614.db2.gz GVJOFMSYFDFMSG-FQEVSTJZSA-N 0 0 456.905 4.664 20 0 JJADRN CC(C)(C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(F)cc1F ZINC001442147358 1066097624 /nfs/dbraw/zinc/09/76/24/1066097624.db2.gz GLCLMNNOCSJMSF-SFHVURJKSA-N 0 0 450.485 4.956 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)cnn1C ZINC001360941112 1066097793 /nfs/dbraw/zinc/09/77/93/1066097793.db2.gz MUEFVTLSURHXGJ-HLAWJBBLSA-N 0 0 485.677 4.507 20 0 JJADRN CCO[C@@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001442153155 1066097929 /nfs/dbraw/zinc/09/79/29/1066097929.db2.gz DHIDBDMNJJSEOW-HXUWFJFHSA-N 0 0 450.579 4.723 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001360942027 1066098153 /nfs/dbraw/zinc/09/81/53/1066098153.db2.gz DRJXQIIIQZCRAZ-KRWDZBQOSA-N 0 0 452.251 4.592 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)o1 ZINC001360942436 1066098328 /nfs/dbraw/zinc/09/83/28/1066098328.db2.gz PVVKBWBFMKCAIE-OXJNMPFZSA-N 0 0 450.576 4.625 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c(Br)s1 ZINC001442158387 1066098450 /nfs/dbraw/zinc/09/84/50/1066098450.db2.gz WWFVGQPCGMPYPA-GFCCVEGCSA-N 0 0 458.219 4.838 20 0 JJADRN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC=C(C(C)(C)C)CC1)Oc1ccccc1F ZINC001545946667 1066099081 /nfs/dbraw/zinc/09/90/81/1066099081.db2.gz UHDBWIDOMKTXPT-LJQANCHMSA-N 0 0 457.594 4.596 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001442178569 1066099088 /nfs/dbraw/zinc/09/90/88/1066099088.db2.gz ATXRJRXYVQKMQO-UHFFFAOYSA-N 0 0 450.886 4.933 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001360944474 1066099351 /nfs/dbraw/zinc/09/93/51/1066099351.db2.gz XVQKVAHUXJYOCN-UHFFFAOYSA-N 0 0 467.687 4.948 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1 ZINC001442183845 1066099561 /nfs/dbraw/zinc/09/95/61/1066099561.db2.gz LDRZDILMMYVREM-IBGZPJMESA-N 0 0 452.873 4.873 20 0 JJADRN CCOc1cc(Br)c(NC(=O)c2cccc(Br)c2N)cc1OCC ZINC001442179466 1066099664 /nfs/dbraw/zinc/09/96/64/1066099664.db2.gz CMWPDSRKHUOLMH-UHFFFAOYSA-N 0 0 458.150 4.844 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360944864 1066099639 /nfs/dbraw/zinc/09/96/39/1066099639.db2.gz LUHBENJCMZNLAY-UHFFFAOYSA-N 0 0 479.522 4.820 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nccc(C(F)F)n1 ZINC001360944856 1066099851 /nfs/dbraw/zinc/09/98/51/1066099851.db2.gz LKJAYDQEULVXDA-UHFFFAOYSA-N 0 0 458.900 4.836 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cc1F ZINC001442184318 1066099970 /nfs/dbraw/zinc/09/99/70/1066099970.db2.gz MUOXVCDPIMEENL-IAGOWNOFSA-N 0 0 451.498 4.888 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CS3)cc1 ZINC001442188365 1066100582 /nfs/dbraw/zinc/10/05/82/1066100582.db2.gz RROLPWBBMLDZET-UHFFFAOYSA-N 0 0 453.911 4.676 20 0 JJADRN Cc1cc(=O)c(C(=O)NCc2ccccc2OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001360945712 1066100654 /nfs/dbraw/zinc/10/06/54/1066100654.db2.gz VUZHZZHBIBVMNN-UHFFFAOYSA-N 0 0 459.468 4.667 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360946265 1066101241 /nfs/dbraw/zinc/10/12/41/1066101241.db2.gz GVQIQLFRFHWSMZ-INIZCTEOSA-N 0 0 459.616 4.629 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001442193023 1066101265 /nfs/dbraw/zinc/10/12/65/1066101265.db2.gz PYPVMEOYOYKLHK-UHFFFAOYSA-N 0 0 457.018 4.503 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360946261 1066101285 /nfs/dbraw/zinc/10/12/85/1066101285.db2.gz GOXICGTZTZTJJZ-FQEVSTJZSA-N 0 0 471.627 4.868 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1OCC(F)F ZINC001360947013 1066101893 /nfs/dbraw/zinc/10/18/93/1066101893.db2.gz WCBVXHRVSUACJN-UHFFFAOYSA-N 0 0 459.522 4.555 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC001442205018 1066102024 /nfs/dbraw/zinc/10/20/24/1066102024.db2.gz WDVWUPMPQIVYOQ-UHFFFAOYSA-N 0 0 455.845 4.845 20 0 JJADRN CCCOc1ccc(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(OCCC)c1 ZINC001442207383 1066102039 /nfs/dbraw/zinc/10/20/39/1066102039.db2.gz DXLPNGZZUYBBJG-UHFFFAOYSA-N 0 0 458.986 4.906 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CSCCS1 ZINC001360947295 1066102293 /nfs/dbraw/zinc/10/22/93/1066102293.db2.gz GLCOLCWWODMUNQ-LJQANCHMSA-N 0 0 459.710 4.703 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cccc(OCC(F)(F)F)c1 ZINC001360948902 1066103615 /nfs/dbraw/zinc/10/36/15/1066103615.db2.gz MDQZRVSWPFTNFC-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN CCCC1CCC(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001442223713 1066103707 /nfs/dbraw/zinc/10/37/07/1066103707.db2.gz UMHUHKIZHCGGQI-UVHRUJRTSA-N 0 0 456.656 4.811 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cc(F)c(F)cc2I)s1 ZINC001360948477 1066103775 /nfs/dbraw/zinc/10/37/75/1066103775.db2.gz CCVJNYTYQOHDNC-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2cccnc2)C(C)C)cnn1C ZINC001360949397 1066104220 /nfs/dbraw/zinc/10/42/20/1066104220.db2.gz FFMWJJXXEHAGFN-XMMPIXPASA-N 0 0 477.588 4.509 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)c3cc(Cl)c(OCCC(C)C)c(OC)c3)n2)cc1 ZINC001442229214 1066105035 /nfs/dbraw/zinc/10/50/35/1066105035.db2.gz ADTHXXGDHGXSBD-UHFFFAOYSA-N 0 0 457.958 4.898 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCSC1 ZINC001360949671 1066106263 /nfs/dbraw/zinc/10/62/63/1066106263.db2.gz OSRMQUCNDBUBBC-ROUUACIJSA-N 0 0 492.715 4.895 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 ZINC001360949723 1066106272 /nfs/dbraw/zinc/10/62/72/1066106272.db2.gz QTUXMZBNPSHPTH-KRWDZBQOSA-N 0 0 451.354 4.881 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 ZINC001360949750 1066106908 /nfs/dbraw/zinc/10/69/08/1066106908.db2.gz RRXDADNLVXTBOL-NRFANRHFSA-N 0 0 464.060 4.786 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 ZINC001360949756 1066106938 /nfs/dbraw/zinc/10/69/38/1066106938.db2.gz RVBNPUAIUZICLE-QFIPXVFZSA-N 0 0 490.054 4.881 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360950934 1066108051 /nfs/dbraw/zinc/10/80/51/1066108051.db2.gz VRQVJRXHFALNHU-UHFFFAOYSA-N 0 0 481.519 4.727 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC001360951444 1066108588 /nfs/dbraw/zinc/10/85/88/1066108588.db2.gz YTKGCSGCKVHWEQ-QGZVFWFLSA-N 0 0 450.869 4.510 20 0 JJADRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001442254410 1066108967 /nfs/dbraw/zinc/10/89/67/1066108967.db2.gz REGJWMYWSQMYCS-UHFFFAOYSA-N 0 0 451.567 4.760 20 0 JJADRN Cc1ccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)s2)c(C)c1 ZINC001442259614 1066109590 /nfs/dbraw/zinc/10/95/90/1066109590.db2.gz GOWGMMMJVJEVFC-LJQANCHMSA-N 0 0 452.580 4.896 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001442264058 1066110132 /nfs/dbraw/zinc/11/01/32/1066110132.db2.gz VGVXWLQWNRLSPE-AYOQOUSVSA-N 0 0 452.979 4.872 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001442264059 1066110152 /nfs/dbraw/zinc/11/01/52/1066110152.db2.gz VGVXWLQWNRLSPE-LZQZEXGQSA-N 0 0 452.979 4.872 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001360953318 1066110288 /nfs/dbraw/zinc/11/02/88/1066110288.db2.gz KMNVFBXPWNKLBJ-MRXNPFEDSA-N 0 0 450.543 4.680 20 0 JJADRN CC[C@H](C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(Br)cc1 ZINC001360954770 1066110943 /nfs/dbraw/zinc/11/09/43/1066110943.db2.gz ZFZYZDSMYUQKNP-HNNXBMFYSA-N 0 0 456.283 4.931 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545947856 1066111230 /nfs/dbraw/zinc/11/12/30/1066111230.db2.gz FHBZQZFDJQSIOZ-FQEVSTJZSA-N 0 0 486.661 4.933 20 0 JJADRN CCC(CC)N1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)CC1=O ZINC001360954990 1066111468 /nfs/dbraw/zinc/11/14/68/1066111468.db2.gz HJLIQTSRTDAEPJ-GBXCKJPGSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cnn1CC(C)C ZINC001360955531 1066111488 /nfs/dbraw/zinc/11/14/88/1066111488.db2.gz DZOPJIOMDJARFO-UYAOXDASSA-N 0 0 484.620 4.770 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1Cc1cccs1)OC ZINC001545947918 1066111819 /nfs/dbraw/zinc/11/18/19/1066111819.db2.gz GHCJBDGSQRHPIX-UXHICEINSA-N 0 0 488.057 4.560 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360955589 1066111932 /nfs/dbraw/zinc/11/19/32/1066111932.db2.gz GDCNSZHTDQVTBV-HNNXBMFYSA-N 0 0 484.519 4.869 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC001442294282 1066112375 /nfs/dbraw/zinc/11/23/75/1066112375.db2.gz NAZPICXDIQKHAA-UHFFFAOYSA-N 0 0 454.335 4.889 20 0 JJADRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001442298799 1066112863 /nfs/dbraw/zinc/11/28/63/1066112863.db2.gz PFGBGHFZPFGJBA-VQTJNVASSA-N 0 0 476.846 4.535 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)cnn1CC(C)C ZINC001360956580 1066112889 /nfs/dbraw/zinc/11/28/89/1066112889.db2.gz OBKAFPWNLFBLJG-HXUWFJFHSA-N 0 0 477.588 4.798 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442300048 1066113595 /nfs/dbraw/zinc/11/35/95/1066113595.db2.gz SMZFVVGOXIKXFW-XMSQKQJNSA-N 0 0 451.405 4.833 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001360957167 1066114034 /nfs/dbraw/zinc/11/40/34/1066114034.db2.gz VJFOCDXGCASGLY-FQEVSTJZSA-N 0 0 499.587 4.812 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@H](CC(C)C)n3ccnc3)cc2Cl)n1 ZINC001442301642 1066114062 /nfs/dbraw/zinc/11/40/62/1066114062.db2.gz ISNFYWFZMUWTNZ-UTKZUKDTSA-N 0 0 456.978 4.775 20 0 JJADRN CC(=O)Nc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)ccc1Cl ZINC001442302634 1066113975 /nfs/dbraw/zinc/11/39/75/1066113975.db2.gz AVXBJTTUGOCTFP-GOSISDBHSA-N 0 0 453.873 4.781 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360957895 1066114566 /nfs/dbraw/zinc/11/45/66/1066114566.db2.gz CXZZRVXTSDJKFR-BETUJISGSA-N 0 0 454.319 4.713 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCOc1ccccc1 ZINC001360958070 1066114610 /nfs/dbraw/zinc/11/46/10/1066114610.db2.gz DZDMRPYXYFXYKO-UHFFFAOYSA-N 0 0 484.398 4.901 20 0 JJADRN CCn1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)c(C(C)C)n1 ZINC001442304099 1066114584 /nfs/dbraw/zinc/11/45/84/1066114584.db2.gz SNAIMSZPBRKQJY-MRXNPFEDSA-N 0 0 456.978 4.945 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc2)c(C)c1 ZINC001442306590 1066115369 /nfs/dbraw/zinc/11/53/69/1066115369.db2.gz NHZKVUJZBYQXKR-ZJSXRUAMSA-N 0 0 450.579 4.736 20 0 JJADRN Cc1ccsc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1C ZINC001360958767 1066115577 /nfs/dbraw/zinc/11/55/77/1066115577.db2.gz SXGUYOJIAFULAH-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1nnsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360958640 1066115732 /nfs/dbraw/zinc/11/57/32/1066115732.db2.gz PWZGGKZOCNGYLQ-UHFFFAOYSA-N 0 0 488.486 4.924 20 0 JJADRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001442325679 1066116417 /nfs/dbraw/zinc/11/64/17/1066116417.db2.gz GDVGIGQBFKPXOV-KXBFYZLASA-N 0 0 450.564 4.919 20 0 JJADRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442317850 1066116446 /nfs/dbraw/zinc/11/64/46/1066116446.db2.gz PQYDHELKPNXCJV-CABCVRRESA-N 0 0 451.430 4.750 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360959488 1066116794 /nfs/dbraw/zinc/11/67/94/1066116794.db2.gz DKTAEGJVDDWMFC-MRXNPFEDSA-N 0 0 487.345 4.893 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCSC1 ZINC001360959421 1066116838 /nfs/dbraw/zinc/11/68/38/1066116838.db2.gz BMZFLVCLXIFFEL-GFCCVEGCSA-N 0 0 485.864 4.511 20 0 JJADRN O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cc(-c2ccccc2)ccc1Cl ZINC001442332043 1066117080 /nfs/dbraw/zinc/11/70/80/1066117080.db2.gz QSZKJRDMCMOKCJ-UHFFFAOYSA-N 0 0 450.966 4.648 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360959712 1066117127 /nfs/dbraw/zinc/11/71/27/1066117127.db2.gz NHHLILSWIUWLJO-LLVKDONJSA-N 0 0 467.462 4.850 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccon2)cnn1CC(C)C ZINC001360959545 1066117192 /nfs/dbraw/zinc/11/71/92/1066117192.db2.gz GVMUIJAIJDIXMV-UHFFFAOYSA-N 0 0 484.402 4.541 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC001442334976 1066117606 /nfs/dbraw/zinc/11/76/06/1066117606.db2.gz XSVGTYFVSXZANH-UHFFFAOYSA-N 0 0 452.436 4.928 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC001442336723 1066118348 /nfs/dbraw/zinc/11/83/48/1066118348.db2.gz LKAGIGVPPPWRLL-UHFFFAOYSA-N 0 0 453.970 4.530 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001360960180 1066118563 /nfs/dbraw/zinc/11/85/63/1066118563.db2.gz DBMRERYDQFKGDS-MRXNPFEDSA-N 0 0 483.034 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CC3)c3ccccc32)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545948468 1066119160 /nfs/dbraw/zinc/11/91/60/1066119160.db2.gz RPOCTHATTZRQPS-IBGZPJMESA-N 0 0 496.656 4.683 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCCc2ccccn2)cnn1C ZINC001360960574 1066119699 /nfs/dbraw/zinc/11/96/99/1066119699.db2.gz RFHQMSICQQMVEB-UHFFFAOYSA-N 0 0 470.408 4.806 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)Cc1ccccn1 ZINC001360960543 1066119717 /nfs/dbraw/zinc/11/97/17/1066119717.db2.gz PRQNIWFOTGVCDU-UHFFFAOYSA-N 0 0 463.611 4.610 20 0 JJADRN O=C(NCc1ccccc1OCCN1CCOCC1)c1csc(-c2ccc(Cl)cc2)c1 ZINC001442362194 1066120252 /nfs/dbraw/zinc/12/02/52/1066120252.db2.gz CNDWABMLYOVENW-UHFFFAOYSA-N 0 0 456.995 4.710 20 0 JJADRN COc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OCC2CC2)c1 ZINC001442365920 1066120317 /nfs/dbraw/zinc/12/03/17/1066120317.db2.gz MUDGFYSAUITENS-UHFFFAOYSA-N 0 0 457.958 4.517 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360960792 1066120748 /nfs/dbraw/zinc/12/07/48/1066120748.db2.gz ZWQCHZRHNKWBMO-MRXNPFEDSA-N 0 0 489.267 4.564 20 0 JJADRN Cc1ccc(-c2ccc(CN(C(=O)Cc3csc(N4CCOCC4)n3)C(C)C)s2)cc1 ZINC001442375706 1066121365 /nfs/dbraw/zinc/12/13/65/1066121365.db2.gz JPHDPHOYDHTUDA-UHFFFAOYSA-N 0 0 455.649 4.996 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360962453 1066121759 /nfs/dbraw/zinc/12/17/59/1066121759.db2.gz FZALTQDSDHSZDI-UHFFFAOYSA-N 0 0 455.990 4.631 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386059 1066121919 /nfs/dbraw/zinc/12/19/19/1066121919.db2.gz FRDMYOHIMIQGKH-NHCUHLMSSA-N 0 0 458.505 4.829 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360962651 1066122301 /nfs/dbraw/zinc/12/23/01/1066122301.db2.gz NABUSLZQBMBBIR-UHFFFAOYSA-N 0 0 469.561 4.870 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3F)nnc2N2CC[C@H](OCC(C)C)C2)cnn1CC(C)C ZINC001360962644 1066122317 /nfs/dbraw/zinc/12/23/17/1066122317.db2.gz MVIFIIAKRHFKAF-NRFANRHFSA-N 0 0 454.594 4.545 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386997 1066122589 /nfs/dbraw/zinc/12/25/89/1066122589.db2.gz OGNBPWOHNZXRIO-RBUKOAKNSA-N 0 0 450.526 4.961 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360963075 1066122784 /nfs/dbraw/zinc/12/27/84/1066122784.db2.gz BGBLCZHMGGJNRJ-WZONZLPQSA-N 0 0 451.954 4.547 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001442390368 1066123060 /nfs/dbraw/zinc/12/30/60/1066123060.db2.gz CNJXYDYNUKGGBS-PZJWPPBQSA-N 0 0 453.311 4.605 20 0 JJADRN C[C@H]1CN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)O1 ZINC001442392268 1066123086 /nfs/dbraw/zinc/12/30/86/1066123086.db2.gz DHRIUOWYPSOYBD-IBGZPJMESA-N 0 0 450.579 4.721 20 0 JJADRN Cc1cc(Cn2nnc(C(=O)N(CCSc3ccc(F)cc3)c3ccccc3)c2C)no1 ZINC001360966162 1066123953 /nfs/dbraw/zinc/12/39/53/1066123953.db2.gz WVFKQQQFTHPGPP-UHFFFAOYSA-N 0 0 451.527 4.509 20 0 JJADRN CCCN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@H](C)c1ccccc1OC ZINC001442399034 1066124069 /nfs/dbraw/zinc/12/40/69/1066124069.db2.gz UZXCRDZLXDLCJG-QZTJIDSGSA-N 0 0 456.587 4.756 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C ZINC001360967030 1066124534 /nfs/dbraw/zinc/12/45/34/1066124534.db2.gz KAKZIXHSETZIFL-VQTJNVASSA-N 0 0 457.619 4.967 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C ZINC001360967029 1066124559 /nfs/dbraw/zinc/12/45/59/1066124559.db2.gz KAKZIXHSETZIFL-UXHICEINSA-N 0 0 457.619 4.967 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001442403410 1066125181 /nfs/dbraw/zinc/12/51/81/1066125181.db2.gz BJXXSZWKSXINPH-ZHSJKAEUSA-N 0 0 454.998 4.976 20 0 JJADRN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001360969464 1066125955 /nfs/dbraw/zinc/12/59/55/1066125955.db2.gz SMSWCLOPEKPTDV-UHFFFAOYSA-N 0 0 457.408 4.576 20 0 JJADRN CO[C@](C)(C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OC(C)(C)C ZINC001360969111 1066125964 /nfs/dbraw/zinc/12/59/64/1066125964.db2.gz KFHTVOMBRXUCKT-JOCHJYFZSA-N 0 0 453.457 4.861 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001360968812 1066125985 /nfs/dbraw/zinc/12/59/85/1066125985.db2.gz GJGHJCRXCYTJER-YADHBBJMSA-N 0 0 457.412 4.842 20 0 JJADRN C=CC(=O)Nc1ccc(O)c(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1 ZINC001442415352 1066126226 /nfs/dbraw/zinc/12/62/26/1066126226.db2.gz QAQYDKRKJMLIFA-UHFFFAOYSA-N 0 0 451.498 4.796 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001442412136 1066126308 /nfs/dbraw/zinc/12/63/08/1066126308.db2.gz YBAWPLAMWGYTDD-UHFFFAOYSA-N 0 0 452.595 4.764 20 0 JJADRN O=C(Nc1cc(F)ccc1SCC(F)F)c1cn(-c2ccc(Br)cc2)nn1 ZINC001360970134 1066126948 /nfs/dbraw/zinc/12/69/48/1066126948.db2.gz FFAPKRGGQGAITM-UHFFFAOYSA-N 0 0 457.275 4.778 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1csc(-c2ncccc2F)n1 ZINC001360970107 1066126978 /nfs/dbraw/zinc/12/69/78/1066126978.db2.gz DMJXUDFVZLCKAP-UHFFFAOYSA-N 0 0 450.289 4.536 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001360970827 1066127038 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ITNVQDAKFVBKBC-ZWCUEREDSA-N 0 0 457.615 4.889 20 0 JJADRN Cc1ccoc1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360973280 1066130170 /nfs/dbraw/zinc/13/01/70/1066130170.db2.gz DROPESDBDGMSQH-NRFANRHFSA-N 0 0 465.598 4.507 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360973567 1066130637 /nfs/dbraw/zinc/13/06/37/1066130637.db2.gz LFAKVOMFDTUUGS-QUCCMNQESA-N 0 0 457.619 4.700 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)Oc1cccc(F)c1 ZINC001360975092 1066131117 /nfs/dbraw/zinc/13/11/17/1066131117.db2.gz NCYMHOXPWNTHNN-GDBMZVCRSA-N 0 0 453.341 4.568 20 0 JJADRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001442499772 1066131399 /nfs/dbraw/zinc/13/13/99/1066131399.db2.gz XLVWNLNUPZWLDV-AREMUKBSSA-N 0 0 451.567 4.769 20 0 JJADRN O=C(CCNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)N1CCCCCC1 ZINC001442498826 1066131448 /nfs/dbraw/zinc/13/14/48/1066131448.db2.gz UDBXUIADUZGEOX-UHFFFAOYSA-N 0 0 450.970 4.715 20 0 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Cc1ccoc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001360976608 1066132175 /nfs/dbraw/zinc/13/21/75/1066132175.db2.gz MOEYMCINZDEYNQ-UHFFFAOYSA-N 0 0 473.961 4.648 20 0 JJADRN Cc1ccsc1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360976268 1066132205 /nfs/dbraw/zinc/13/22/05/1066132205.db2.gz FKFFSJRYSCFTNQ-QFIPXVFZSA-N 0 0 465.667 4.613 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cs1 ZINC001442526962 1066132581 /nfs/dbraw/zinc/13/25/81/1066132581.db2.gz IWHVLZVSJCEXPA-QRFRQXIXSA-N 0 0 459.612 4.969 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccsc2)cnn1C ZINC001360976702 1066132645 /nfs/dbraw/zinc/13/26/45/1066132645.db2.gz PUJBMBWDUWZSSI-UHFFFAOYSA-N 0 0 464.639 4.943 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cs1 ZINC001442526943 1066132657 /nfs/dbraw/zinc/13/26/57/1066132657.db2.gz IWHVLZVSJCEXPA-HQRMLTQVSA-N 0 0 459.612 4.969 20 0 JJADRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001442527657 1066132953 /nfs/dbraw/zinc/13/29/53/1066132953.db2.gz KBMXBHCUULWILC-KSFYIVLOSA-N 0 0 455.352 4.943 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2=O)cc1 ZINC001442527171 1066132974 /nfs/dbraw/zinc/13/29/74/1066132974.db2.gz HJWSPRJTVFAOQB-LEWJYISDSA-N 0 0 454.014 4.678 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360976934 1066133139 /nfs/dbraw/zinc/13/31/39/1066133139.db2.gz YZUQVXLPCLDJQY-IAGOWNOFSA-N 0 0 454.644 4.845 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360977049 1066133679 /nfs/dbraw/zinc/13/36/79/1066133679.db2.gz CMEWXFHWDMXEQI-QGZVFWFLSA-N 0 0 472.920 4.696 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360977113 1066134174 /nfs/dbraw/zinc/13/41/74/1066134174.db2.gz DZGWCACYCXABKH-KURKYZTESA-N 0 0 486.642 4.695 20 0 JJADRN Cc1csc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1I ZINC001442538042 1066134266 /nfs/dbraw/zinc/13/42/66/1066134266.db2.gz RUPJWBNUTLOSFP-RDJZCZTQSA-N 0 0 455.361 4.901 20 0 JJADRN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)c2)C[C@@H](C)O1 ZINC001442545039 1066135133 /nfs/dbraw/zinc/13/51/33/1066135133.db2.gz RUVWKUBUSWQCLL-GGUMNFRJSA-N 0 0 451.517 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 ZINC001442548886 1066135824 /nfs/dbraw/zinc/13/58/24/1066135824.db2.gz QEADNYABSOYLTM-ZWKOTPCHSA-N 0 0 455.368 4.982 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)c2ccccc2Cl)c(OC)c1 ZINC001360978150 1066135990 /nfs/dbraw/zinc/13/59/90/1066135990.db2.gz MWYAQGPXCOHLSO-NSYGIPOTSA-N 0 0 453.922 4.793 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H]2COc3ccccc3O2)c2ccccc2Cl)c(OC)c1 ZINC001360978148 1066136005 /nfs/dbraw/zinc/13/60/05/1066136005.db2.gz MWYAQGPXCOHLSO-CRICUBBOSA-N 0 0 453.922 4.793 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442551212 1066136963 /nfs/dbraw/zinc/13/69/63/1066136963.db2.gz UZLSJPCASHNIJW-QESAQDPVSA-N 0 0 458.599 4.588 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360978927 1066137069 /nfs/dbraw/zinc/13/70/69/1066137069.db2.gz GZPDIJOEMFSAFJ-DSLXNQLJSA-N 0 0 459.660 4.949 20 0 JJADRN Cc1ccoc1Cn1c(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360978856 1066137099 /nfs/dbraw/zinc/13/70/99/1066137099.db2.gz DSGPTCSTTOTLAJ-KRWDZBQOSA-N 0 0 481.588 4.996 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1(C)C ZINC001360978804 1066137102 /nfs/dbraw/zinc/13/71/02/1066137102.db2.gz DMCKVVSQBRJJHA-WOJBJXKFSA-N 0 0 459.384 4.977 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001360978861 1066137130 /nfs/dbraw/zinc/13/71/30/1066137130.db2.gz DTQHAFUAJYGKNI-MOPGFXCFSA-N 0 0 475.659 4.631 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC001442555585 1066137376 /nfs/dbraw/zinc/13/73/76/1066137376.db2.gz XVIROGPLIYRQBG-UHFFFAOYSA-N 0 0 453.633 4.700 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001442552896 1066137421 /nfs/dbraw/zinc/13/74/21/1066137421.db2.gz ZGEMUIKOLSWFAH-SFTDATJTSA-N 0 0 458.990 4.920 20 0 JJADRN Cc1c2ccccc2oc1Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360979022 1066137608 /nfs/dbraw/zinc/13/76/08/1066137608.db2.gz IAYJZYKLTJGWPX-UHFFFAOYSA-N 0 0 477.531 4.573 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CCOCC1 ZINC001360979208 1066137669 /nfs/dbraw/zinc/13/76/69/1066137669.db2.gz LNHRYMKCBNKDFY-FQEVSTJZSA-N 0 0 473.618 4.553 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 ZINC001442556782 1066137819 /nfs/dbraw/zinc/13/78/19/1066137819.db2.gz DWQMIVXRNNKRDS-JOCHJYFZSA-N 0 0 451.652 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC001442556988 1066137830 /nfs/dbraw/zinc/13/78/30/1066137830.db2.gz GTEMHXCBKLWWNN-SQJMNOBHSA-N 0 0 458.986 4.502 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)Oc1ccccc1F ZINC001545949920 1066137872 /nfs/dbraw/zinc/13/78/72/1066137872.db2.gz HOYPYLNZWQTDAX-RBUKOAKNSA-N 0 0 471.552 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC001442556978 1066137892 /nfs/dbraw/zinc/13/78/92/1066137892.db2.gz GTEMHXCBKLWWNN-BWKNWUBXSA-N 0 0 458.986 4.502 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccc(OC(F)F)c2)cnn1C ZINC001360979633 1066137970 /nfs/dbraw/zinc/13/79/70/1066137970.db2.gz SOPUYZSBGAEMIM-NHCUHLMSSA-N 0 0 488.583 4.525 20 0 JJADRN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1NCCC1=CCCCC1 ZINC001442564896 1066138384 /nfs/dbraw/zinc/13/83/84/1066138384.db2.gz CASFHBWIGGUSTB-AREMUKBSSA-N 0 0 451.586 4.931 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360980565 1066138582 /nfs/dbraw/zinc/13/85/82/1066138582.db2.gz ALXVFGCBLZEKBN-HXUWFJFHSA-N 0 0 483.016 4.844 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)Cc2cc(Br)ccc2F)cc1Cl ZINC001442568830 1066138951 /nfs/dbraw/zinc/13/89/51/1066138951.db2.gz IBZVAIARNQLEHM-UHFFFAOYSA-N 0 0 455.740 4.703 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(N(C)C)cn1 ZINC001442567926 1066138996 /nfs/dbraw/zinc/13/89/96/1066138996.db2.gz JGOYLMZFVAPVEW-VWLOTQADSA-N 0 0 458.562 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)(C(F)(F)F)C1 ZINC001442568038 1066139035 /nfs/dbraw/zinc/13/90/35/1066139035.db2.gz KJLBXDNRWAVJBS-NRFANRHFSA-N 0 0 452.477 4.958 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2n1-c1ccccc1F ZINC001360980841 1066139086 /nfs/dbraw/zinc/13/90/86/1066139086.db2.gz CGAITEBSHNJVEG-UHFFFAOYSA-N 0 0 457.914 4.621 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC001442570272 1066139455 /nfs/dbraw/zinc/13/94/55/1066139455.db2.gz MMKNDAONVMPYKC-UHFFFAOYSA-N 0 0 453.351 4.551 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360981222 1066139529 /nfs/dbraw/zinc/13/95/29/1066139529.db2.gz MCYDDYVJQAODBP-LJQANCHMSA-N 0 0 478.822 4.907 20 0 JJADRN COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001360981219 1066139537 /nfs/dbraw/zinc/13/95/37/1066139537.db2.gz KITLKOQFIKXPHD-INIZCTEOSA-N 0 0 450.539 4.934 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)C(C)C)cc1 ZINC001360981568 1066140068 /nfs/dbraw/zinc/14/00/68/1066140068.db2.gz QIFWKEQTFDIJEH-PGRDOPGGSA-N 0 0 453.583 4.974 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)Cc2ccc(Br)cc2F)cc1Cl ZINC001442576088 1066140201 /nfs/dbraw/zinc/14/02/01/1066140201.db2.gz XMYMFNOKEWMUMI-UHFFFAOYSA-N 0 0 455.740 4.703 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)on1 ZINC001360981752 1066140548 /nfs/dbraw/zinc/14/05/48/1066140548.db2.gz TVHGNTOVDNGVND-UHFFFAOYSA-N 0 0 451.910 4.962 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360981880 1066140611 /nfs/dbraw/zinc/14/06/11/1066140611.db2.gz WBRROHQUZOQMFV-UHFFFAOYSA-N 0 0 469.939 4.693 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC001360981854 1066140678 /nfs/dbraw/zinc/14/06/78/1066140678.db2.gz XMBZFGZQZLDDTR-ZDUSSCGKSA-N 0 0 452.960 4.582 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)C1 ZINC001442577834 1066140730 /nfs/dbraw/zinc/14/07/30/1066140730.db2.gz QFHKZNRTIDYUMY-OAQYLSRUSA-N 0 0 457.615 4.533 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360982130 1066141140 /nfs/dbraw/zinc/14/11/40/1066141140.db2.gz BGNAFGVAMHPEBE-GOSISDBHSA-N 0 0 460.022 4.592 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360982217 1066141521 /nfs/dbraw/zinc/14/15/21/1066141521.db2.gz DSJFMFHWZYBRGS-SIKLNZKXSA-N 0 0 488.076 4.559 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360982199 1066141530 /nfs/dbraw/zinc/14/15/30/1066141530.db2.gz DFOMDAHZUMQWFY-HZPDHXFCSA-N 0 0 458.031 4.762 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360982210 1066141547 /nfs/dbraw/zinc/14/15/47/1066141547.db2.gz DLYFAOVNYJSMIS-QGZVFWFLSA-N 0 0 462.038 4.932 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360982200 1066141610 /nfs/dbraw/zinc/14/16/10/1066141610.db2.gz DFOMDAHZUMQWFY-JKSUJKDBSA-N 0 0 458.031 4.762 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360982335 1066142162 /nfs/dbraw/zinc/14/21/62/1066142162.db2.gz JABMYNZRJZKBKL-TZIWHRDSSA-N 0 0 474.049 4.661 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)Oc1cccc(F)c1 ZINC001545950192 1066142205 /nfs/dbraw/zinc/14/22/05/1066142205.db2.gz MIUMMROPSMUNNQ-NRFANRHFSA-N 0 0 483.588 4.570 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)Oc1cccc(F)c1 ZINC001545950193 1066142287 /nfs/dbraw/zinc/14/22/87/1066142287.db2.gz MIUMMROPSMUNNQ-OAQYLSRUSA-N 0 0 483.588 4.570 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001360982643 1066142792 /nfs/dbraw/zinc/14/27/92/1066142792.db2.gz QMEIWWAFKXXRJP-GOSISDBHSA-N 0 0 458.994 4.670 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)c(F)c2)cc1C ZINC001442598711 1066142799 /nfs/dbraw/zinc/14/27/99/1066142799.db2.gz ORVWTIBCGBKSPL-UHFFFAOYSA-N 0 0 459.565 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)C(C)(C)C1 ZINC001442603208 1066143114 /nfs/dbraw/zinc/14/31/14/1066143114.db2.gz QBQKCOJXVNWUHL-GOSISDBHSA-N 0 0 451.405 4.833 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001360983759 1066144152 /nfs/dbraw/zinc/14/41/52/1066144152.db2.gz IEBOJEQXOZLVSQ-INIZCTEOSA-N 0 0 466.655 4.723 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360983700 1066144236 /nfs/dbraw/zinc/14/42/36/1066144236.db2.gz FQKPWSNVANJGMN-SCTDSRPQSA-N 0 0 460.022 4.645 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccco1)C(C)C ZINC001360984111 1066144837 /nfs/dbraw/zinc/14/48/37/1066144837.db2.gz NCKNQXWEZMJYFG-SFHVURJKSA-N 0 0 471.989 4.781 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950427 1066145218 /nfs/dbraw/zinc/14/52/18/1066145218.db2.gz PWPAJFTXFJJMFM-NHCUHLMSSA-N 0 0 457.619 4.500 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCOC2(CCCC2)C1 ZINC001360984299 1066145763 /nfs/dbraw/zinc/14/57/63/1066145763.db2.gz RNDJMULHQBWTKZ-UHFFFAOYSA-N 0 0 460.022 4.617 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360984248 1066145842 /nfs/dbraw/zinc/14/58/42/1066145842.db2.gz QDTBEAKOFMWIFF-KRWDZBQOSA-N 0 0 499.965 4.941 20 0 JJADRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC001442621089 1066145927 /nfs/dbraw/zinc/14/59/27/1066145927.db2.gz WZKHLNRQPNWTPD-IBGZPJMESA-N 0 0 456.539 4.569 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001442625564 1066146369 /nfs/dbraw/zinc/14/63/69/1066146369.db2.gz SDYINCKGMQNEOR-LJQANCHMSA-N 0 0 452.473 4.938 20 0 JJADRN CN(C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001360984880 1066146688 /nfs/dbraw/zinc/14/66/88/1066146688.db2.gz KJTVDVSCTDPMMA-OAQYLSRUSA-N 0 0 450.970 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 ZINC001442648950 1066146811 /nfs/dbraw/zinc/14/68/11/1066146811.db2.gz NSDNCCSQACBWQH-AREMUKBSSA-N 0 0 451.567 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c2ccccc21 ZINC001442662503 1066148860 /nfs/dbraw/zinc/14/88/60/1066148860.db2.gz QCUCUHLFDDZFNS-UNMCSNQZSA-N 0 0 454.542 4.872 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360985792 1066149121 /nfs/dbraw/zinc/14/91/21/1066149121.db2.gz LLRGXCPSFMCGBJ-VJBMBRPKSA-N 0 0 483.657 4.807 20 0 JJADRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)c1 ZINC001442665812 1066149426 /nfs/dbraw/zinc/14/94/26/1066149426.db2.gz PLNRUTJWRUTEOI-VQIMIIECSA-N 0 0 462.541 4.823 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(C)C ZINC001360985973 1066149707 /nfs/dbraw/zinc/14/97/07/1066149707.db2.gz QEYCLDVDARNWIO-MHZLTWQESA-N 0 0 485.673 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1NC(=O)Cc1ccccc1F ZINC001442669562 1066150035 /nfs/dbraw/zinc/15/00/35/1066150035.db2.gz RTOBFXWYJBRHLT-GOSISDBHSA-N 0 0 456.514 4.563 20 0 JJADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001442672334 1066150643 /nfs/dbraw/zinc/15/06/43/1066150643.db2.gz VYGZIGRRUOCXBU-UHFFFAOYSA-N 0 0 451.567 4.931 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442671651 1066150723 /nfs/dbraw/zinc/15/07/23/1066150723.db2.gz RBAVISJFRAKIQC-CTNGQTDRSA-N 0 0 453.631 4.500 20 0 JJADRN Cc1nnc(Sc2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2)s1 ZINC001442681867 1066151375 /nfs/dbraw/zinc/15/13/75/1066151375.db2.gz RDBSCUMEVGMEOA-UHFFFAOYSA-N 0 0 454.621 4.972 20 0 JJADRN CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001442695116 1066151888 /nfs/dbraw/zinc/15/18/88/1066151888.db2.gz LBJSZIIGEMRWAI-HSZRJFAPSA-N 0 0 458.578 4.534 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N(C)CCOc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC001545950860 1066151944 /nfs/dbraw/zinc/15/19/44/1066151944.db2.gz XJHHOINTKRDVLS-GOSISDBHSA-N 0 0 466.026 4.873 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N(C)CCOc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC001545950861 1066151967 /nfs/dbraw/zinc/15/19/67/1066151967.db2.gz XJHHOINTKRDVLS-SFHVURJKSA-N 0 0 466.026 4.873 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc(Br)c1O ZINC001442690912 1066151993 /nfs/dbraw/zinc/15/19/93/1066151993.db2.gz FUAZPNULBAZNQW-GTKVBAFNSA-N 0 0 456.258 4.868 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)O ZINC001360986530 1066152643 /nfs/dbraw/zinc/15/26/43/1066152643.db2.gz GBEQVJJWUZWASX-PXNSSMCTSA-N 0 0 487.048 4.707 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CC(C)(C)O ZINC001360986529 1066152668 /nfs/dbraw/zinc/15/26/68/1066152668.db2.gz GBEQVJJWUZWASX-FXAWDEMLSA-N 0 0 487.048 4.707 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360986482 1066152706 /nfs/dbraw/zinc/15/27/06/1066152706.db2.gz DUZHRZHKXFMBHU-XMSQKQJNSA-N 0 0 453.631 4.518 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001360986582 1066152711 /nfs/dbraw/zinc/15/27/11/1066152711.db2.gz HGKXXWZYOFWYSU-HSZRJFAPSA-N 0 0 460.626 4.757 20 0 JJADRN COc1cc(CO)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC001442705726 1066153163 /nfs/dbraw/zinc/15/31/63/1066153163.db2.gz NLDFSQGGQAZYQI-UHFFFAOYSA-N 0 0 450.922 4.573 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)CC1 ZINC001442707765 1066153173 /nfs/dbraw/zinc/15/31/73/1066153173.db2.gz KGHCDTGIWAHPCG-LADRWXRNSA-N 0 0 452.389 4.881 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001442704026 1066153194 /nfs/dbraw/zinc/15/31/94/1066153194.db2.gz GIZTZJIKWGWPKV-HNNXBMFYSA-N 0 0 459.262 4.771 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CCCC(=O)NC1CC1 ZINC001360986668 1066153649 /nfs/dbraw/zinc/15/36/49/1066153649.db2.gz JNOHEVKYOZQMCA-XLIONFOSSA-N 0 0 492.089 4.689 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CCc1nccnc1C ZINC001360986675 1066153716 /nfs/dbraw/zinc/15/37/16/1066153716.db2.gz JPYAKHRFCQDFMW-PMACEKPBSA-N 0 0 485.032 4.502 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)cc1)c1ccccc1 ZINC001442710320 1066154234 /nfs/dbraw/zinc/15/42/34/1066154234.db2.gz RUQARZSMKGMKRX-ZTEVPRNISA-N 0 0 451.567 4.824 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCC2)n1CCCn1ccnn1 ZINC001360986799 1066154636 /nfs/dbraw/zinc/15/46/36/1066154636.db2.gz MLEUKJMQALPDBZ-SFHVURJKSA-N 0 0 458.010 4.606 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360986820 1066155220 /nfs/dbraw/zinc/15/52/20/1066155220.db2.gz MXHJXOCYERZOOZ-CEYNDMKZSA-N 0 0 487.048 4.609 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccon2)n1CCc1nccnc1C ZINC001360986843 1066155316 /nfs/dbraw/zinc/15/53/16/1066155316.db2.gz NMJXFBUKTXANEA-GOSISDBHSA-N 0 0 481.988 4.654 20 0 JJADRN CCCC[C@@H](NC(=O)c1cnn2cccc(Cl)c12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442724361 1066155646 /nfs/dbraw/zinc/15/56/46/1066155646.db2.gz GYQNZLSEHXAVIY-OAQYLSRUSA-N 0 0 453.974 4.515 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC1=CCCOC1 ZINC001360986898 1066155698 /nfs/dbraw/zinc/15/56/98/1066155698.db2.gz OMTGGHHAAMDWIC-YLJYHZDGSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)nn1-c1ccc(Cl)cc1Cl ZINC001442730337 1066156090 /nfs/dbraw/zinc/15/60/90/1066156090.db2.gz NOSPRDRFRXWMHN-GOSISDBHSA-N 0 0 457.361 4.522 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1)OC ZINC001545951623 1066156456 /nfs/dbraw/zinc/15/64/56/1066156456.db2.gz AJYARJFQZFLNOP-GHTZIAJQSA-N 0 0 465.038 4.976 20 0 JJADRN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc2[nH]cc(I)c2c1 ZINC001442730995 1066156459 /nfs/dbraw/zinc/15/64/59/1066156459.db2.gz VKGXDBNFBLIDTJ-UHFFFAOYSA-N 0 0 459.209 4.999 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1[C@@H]1C[C@@H]1C ZINC001360987073 1066156733 /nfs/dbraw/zinc/15/67/33/1066156733.db2.gz RQXJATVWWGHCBW-LJNYTWTNSA-N 0 0 469.051 4.527 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360987147 1066156936 /nfs/dbraw/zinc/15/69/36/1066156936.db2.gz TWQBHYYGGMRMIF-HYBUGGRVSA-N 0 0 490.652 4.551 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCCn1cnnn1 ZINC001360987125 1066156944 /nfs/dbraw/zinc/15/69/44/1066156944.db2.gz SRRBSMYNUJIIQL-WOJBJXKFSA-N 0 0 485.036 4.558 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1C[C@H]1CCCCO1 ZINC001360987101 1066156948 /nfs/dbraw/zinc/15/69/48/1066156948.db2.gz SGHBRLZPFBZENG-GHTZIAJQSA-N 0 0 471.005 4.684 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccccn2)n1CCCN1CCOC1=O ZINC001360987095 1066156957 /nfs/dbraw/zinc/15/69/57/1066156957.db2.gz SAKCPCVUXUCISP-IBGZPJMESA-N 0 0 499.015 4.562 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC001442753859 1066157168 /nfs/dbraw/zinc/15/71/68/1066157168.db2.gz XXMGJRFEDSPTPR-UHFFFAOYSA-N 0 0 453.558 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCOC(C)C ZINC001360987178 1066157397 /nfs/dbraw/zinc/15/73/97/1066157397.db2.gz UMHLIJDXLALPDR-UXHICEINSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC1(O)CCC1 ZINC001360987183 1066157619 /nfs/dbraw/zinc/15/76/19/1066157619.db2.gz UMLBEAOTYVYWSZ-SJLPKXTDSA-N 0 0 451.036 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1 ZINC001360987205 1066157641 /nfs/dbraw/zinc/15/76/41/1066157641.db2.gz UREFJUPQZZVODN-UYAOXDASSA-N 0 0 495.089 4.748 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC001442760798 1066157898 /nfs/dbraw/zinc/15/78/98/1066157898.db2.gz CHWAYLNTSRYBMR-ZOBUZTSGSA-N 0 0 452.946 4.594 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC1(C)C ZINC001360987271 1066158045 /nfs/dbraw/zinc/15/80/45/1066158045.db2.gz WRHVHKGFZOCISU-MIZPHKNDSA-N 0 0 467.658 4.935 20 0 JJADRN Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC001442762990 1066158226 /nfs/dbraw/zinc/15/82/26/1066158226.db2.gz HGRMCADKPNRHIA-UHFFFAOYSA-N 0 0 452.576 4.530 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)OC(C)(C)C ZINC001442763867 1066158246 /nfs/dbraw/zinc/15/82/46/1066158246.db2.gz DDCXXBUMBWUZTN-UHFFFAOYSA-N 0 0 457.918 4.647 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)(C)C)n1CC[C@@H]1COCCO1 ZINC001360987287 1066158332 /nfs/dbraw/zinc/15/83/32/1066158332.db2.gz XBVYYLUEPGEWTE-UYAOXDASSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccnc1 ZINC001360987460 1066158334 /nfs/dbraw/zinc/15/83/34/1066158334.db2.gz YKXNQNHVPRBKSM-RCZVLFRGSA-N 0 0 490.652 4.526 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CC(=O)N(C)C ZINC001360987451 1066158347 /nfs/dbraw/zinc/15/83/47/1066158347.db2.gz YGMFIBNHMZVJFW-ZTNFWEORSA-N 0 0 462.038 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccsc2)n1CC1(O)CCOCC1 ZINC001360987403 1066158354 /nfs/dbraw/zinc/15/83/54/1066158354.db2.gz XIJDSUGGHRURLT-SFHVURJKSA-N 0 0 491.057 4.928 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC(=O)N(C)C ZINC001360987448 1066158360 /nfs/dbraw/zinc/15/83/60/1066158360.db2.gz YGMFIBNHMZVJFW-CVAIRZPRSA-N 0 0 462.038 4.791 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3ccc(Cl)c4ncccc34)cn2)C1 ZINC001442768974 1066159022 /nfs/dbraw/zinc/15/90/22/1066159022.db2.gz OZAMQMZWJFBYTF-INIZCTEOSA-N 0 0 455.946 4.909 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC001442769210 1066159025 /nfs/dbraw/zinc/15/90/25/1066159025.db2.gz QSFDCXAGJRCUGL-UHFFFAOYSA-N 0 0 456.384 4.665 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC(C)(C)C(C)C ZINC001360989256 1066160085 /nfs/dbraw/zinc/16/00/85/1066160085.db2.gz BQVQZSWLGRBVQU-ICSRJNTNSA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCSC(C)C ZINC001360989336 1066160530 /nfs/dbraw/zinc/16/05/30/1066160530.db2.gz CQMNRYJUDWJVEK-WSTZPKSXSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCOCCCO ZINC001360989346 1066160679 /nfs/dbraw/zinc/16/06/79/1066160679.db2.gz CUDIVTCCPUYGOQ-LSTHTHJFSA-N 0 0 465.038 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1C[C@@H]1COCCO1 ZINC001360989447 1066161181 /nfs/dbraw/zinc/16/11/81/1066161181.db2.gz FIZAENSSXXJRGQ-OBZYLPMUSA-N 0 0 463.022 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CCC1(O)CCOCC1 ZINC001360989389 1066161218 /nfs/dbraw/zinc/16/12/18/1066161218.db2.gz DJFGFMRGWMAPIZ-VAMGGRTRSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360989525 1066161877 /nfs/dbraw/zinc/16/18/77/1066161877.db2.gz GPJAONRUCWXCPL-GUMYABAYSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCOC(C)(C)C ZINC001360989591 1066162139 /nfs/dbraw/zinc/16/21/39/1066162139.db2.gz HOKXHKDYKKGEPN-NZSAHSFTSA-N 0 0 493.004 4.618 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCSCCCO ZINC001360989710 1066163107 /nfs/dbraw/zinc/16/31/07/1066163107.db2.gz JRQDBKLGJXEYNB-YSIASYRMSA-N 0 0 479.090 4.896 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360989700 1066163134 /nfs/dbraw/zinc/16/31/34/1066163134.db2.gz JKSHVEBTBXJUOM-FUHWJXTLSA-N 0 0 452.933 4.879 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3CCC[C@H]32)n1CCCS(C)(=O)=O ZINC001360989771 1066163503 /nfs/dbraw/zinc/16/35/03/1066163503.db2.gz KLSDATCDXYXEEN-QWFCFKBJSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1CCCC1 ZINC001360989912 1066164197 /nfs/dbraw/zinc/16/41/97/1066164197.db2.gz NASVGPFZNKFCKF-QZTJIDSGSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)O ZINC001360989825 1066164229 /nfs/dbraw/zinc/16/42/29/1066164229.db2.gz LEKSZYYUJLZIKW-KRWDZBQOSA-N 0 0 465.038 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCCCCO ZINC001360989867 1066164236 /nfs/dbraw/zinc/16/42/36/1066164236.db2.gz MCPJFHWHICOZLH-SIKLNZKXSA-N 0 0 487.048 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC(C)(C)C(F)(F)F ZINC001360990025 1066164894 /nfs/dbraw/zinc/16/48/94/1066164894.db2.gz PAMBEZUATHSYIK-CABCVRRESA-N 0 0 487.954 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@]1(O)CCOC1 ZINC001360989994 1066164901 /nfs/dbraw/zinc/16/49/01/1066164901.db2.gz OIOWHDOSZLJSRP-OHUGHZGNSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCCCCO ZINC001360990072 1066165614 /nfs/dbraw/zinc/16/56/14/1066165614.db2.gz POOAEPUWOBDZFX-UXHICEINSA-N 0 0 487.048 4.578 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCCn1cnnn1 ZINC001360990094 1066165635 /nfs/dbraw/zinc/16/56/35/1066165635.db2.gz PVPYNOMMKRCPEZ-UXHICEINSA-N 0 0 487.052 4.638 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](CC(C)C)C2)n1CCCn1cnnn1 ZINC001360990096 1066165663 /nfs/dbraw/zinc/16/56/63/1066165663.db2.gz PVPYNOMMKRCPEZ-WOJBJXKFSA-N 0 0 487.052 4.638 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1([S@@](C)=O)CC1 ZINC001360990267 1066167040 /nfs/dbraw/zinc/16/70/40/1066167040.db2.gz RWVRWANUOACEOI-HQMMLBSJSA-N 0 0 465.063 4.692 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCCC(F)(F)F ZINC001360990308 1066167240 /nfs/dbraw/zinc/16/72/40/1066167240.db2.gz SROXWXNFRZLWFL-QVKFZJNVSA-N 0 0 487.954 4.733 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCC(C)(F)F ZINC001360990284 1066167258 /nfs/dbraw/zinc/16/72/58/1066167258.db2.gz RYZCFOFNIJLVHP-SFHVURJKSA-N 0 0 486.007 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@@H]1CCCOC1 ZINC001360990329 1066167497 /nfs/dbraw/zinc/16/74/97/1066167497.db2.gz SXWOBFOTZYKVMY-IRXDYDNUSA-N 0 0 454.949 4.960 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CC1CCCC1 ZINC001360990483 1066167759 /nfs/dbraw/zinc/16/77/59/1066167759.db2.gz WFRPNPZOHJWCHA-KRWDZBQOSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CC1CCCC1 ZINC001360990484 1066167790 /nfs/dbraw/zinc/16/77/90/1066167790.db2.gz WFRPNPZOHJWCHA-QGZVFWFLSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CC[S@@](=O)C(C)(C)C ZINC001360990566 1066168201 /nfs/dbraw/zinc/16/82/01/1066168201.db2.gz XLFQTVQLCPBORB-YDZJVOIISA-N 0 0 497.105 4.851 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CCCC1 ZINC001360990561 1066168209 /nfs/dbraw/zinc/16/82/09/1066168209.db2.gz XKRHCIICGWCFOQ-MJGOQNOKSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC1CC1 ZINC001360990592 1066168496 /nfs/dbraw/zinc/16/84/96/1066168496.db2.gz XRSQNJYTTJINHF-WIYYLYMNSA-N 0 0 474.049 4.839 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](c2ccncc2)C2CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990728 1066168710 /nfs/dbraw/zinc/16/87/10/1066168710.db2.gz CGXAWZKEVZFZBJ-CLOONOSVSA-N 0 0 454.014 4.701 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](c2ccncc2)C2CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990730 1066168728 /nfs/dbraw/zinc/16/87/28/1066168728.db2.gz CGXAWZKEVZFZBJ-KBMIEXCESA-N 0 0 454.014 4.701 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCSC(C)C ZINC001360990635 1066168748 /nfs/dbraw/zinc/16/87/48/1066168748.db2.gz YOAXQMRCYIMRON-SBUREZEXSA-N 0 0 480.078 4.532 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CC(F)(F)F ZINC001360990804 1066168989 /nfs/dbraw/zinc/16/89/89/1066168989.db2.gz ZMKMUIBVXLIWSL-ZOCZFRKYSA-N 0 0 488.938 4.635 20 0 JJADRN C[C@@H](c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1)C(F)(F)F ZINC001360991067 1066169469 /nfs/dbraw/zinc/16/94/69/1066169469.db2.gz KYHHSDQZYJJNTK-CVEARBPZSA-N 0 0 452.904 4.921 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360991522 1066170009 /nfs/dbraw/zinc/17/00/09/1066170009.db2.gz SREBZRSUJFWSDB-CYBMUJFWSA-N 0 0 459.295 4.928 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC(C)(C)[C@H]2C)cnn1C ZINC001360991695 1066170528 /nfs/dbraw/zinc/17/05/28/1066170528.db2.gz FCUALPVWPJLERN-RBUKOAKNSA-N 0 0 487.048 4.782 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(OC(F)F)c(Cl)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360991702 1066170531 /nfs/dbraw/zinc/17/05/31/1066170531.db2.gz WVLWMOBUHUJKMC-ZDUSSCGKSA-N 0 0 457.304 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC1(O)CCC1 ZINC001360992510 1066171827 /nfs/dbraw/zinc/17/18/27/1066171827.db2.gz PBBSKDGTAGIBSW-DLBZAZTESA-N 0 0 451.036 4.545 20 0 JJADRN 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JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@](C)(O)c2cccs2)o1 ZINC001361012288 1066197414 /nfs/dbraw/zinc/19/74/14/1066197414.db2.gz WBZAZCFBQJMNBN-SANMLTNESA-N 0 0 493.633 4.816 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cc(Br)cn3C)n2CC(C)C)c(C)c1 ZINC001361012429 1066197468 /nfs/dbraw/zinc/19/74/68/1066197468.db2.gz XRESCRBVXXXUAK-UHFFFAOYSA-N 0 0 487.446 4.702 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c(C)c1 ZINC001361012224 1066197513 /nfs/dbraw/zinc/19/75/13/1066197513.db2.gz UFPCUKWPZACPFI-FQEVSTJZSA-N 0 0 486.661 4.657 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001361012313 1066197551 /nfs/dbraw/zinc/19/75/51/1066197551.db2.gz AVSZRAUAWOYGDQ-HSZRJFAPSA-N 0 0 457.983 4.778 20 0 JJADRN Cc1cc(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)n(C2CCOCC2)n1 ZINC001361012805 1066198218 /nfs/dbraw/zinc/19/82/18/1066198218.db2.gz RBDBFKKJRCAHTA-UHFFFAOYSA-N 0 0 452.942 4.725 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014008 1066199589 /nfs/dbraw/zinc/19/95/89/1066199589.db2.gz CSSFVLUCYLFMTQ-FQEVSTJZSA-N 0 0 467.639 4.590 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2)c(C)c1 ZINC001361014563 1066201262 /nfs/dbraw/zinc/20/12/62/1066201262.db2.gz QGINECVSROHKCS-JOCHJYFZSA-N 0 0 478.666 4.550 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCSC(F)(F)F)c(C)c1 ZINC001361014547 1066201358 /nfs/dbraw/zinc/20/13/58/1066201358.db2.gz PMPBVSDLSQJLHG-UHFFFAOYSA-N 0 0 478.544 4.593 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC001361014661 1066201717 /nfs/dbraw/zinc/20/17/17/1066201717.db2.gz RTRHOECLSXDWGM-KRWDZBQOSA-N 0 0 452.628 4.724 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccc(Br)s3)nnc2N2CCC(CO)CC2)c1 ZINC001361014762 1066201871 /nfs/dbraw/zinc/20/18/71/1066201871.db2.gz HYSJNXXSUDYJAT-UHFFFAOYSA-N 0 0 475.456 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2cc(C)cc(C)c2)o1 ZINC001361015369 1066203388 /nfs/dbraw/zinc/20/33/88/1066203388.db2.gz WPFMUWJHIPMPFR-UHFFFAOYSA-N 0 0 463.626 4.789 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cccn3C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001361015470 1066203445 /nfs/dbraw/zinc/20/34/45/1066203445.db2.gz ZIBOHAQQRNNTKB-UHFFFAOYSA-N 0 0 492.668 4.884 20 0 JJADRN O=C(CCOc1ccc2ccccc2c1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015815 1066203745 /nfs/dbraw/zinc/20/37/45/1066203745.db2.gz AHPDOIJVPIWAPD-MHZLTWQESA-N 0 0 452.554 4.653 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)s1 ZINC001361016230 1066203906 /nfs/dbraw/zinc/20/39/06/1066203906.db2.gz IZHMJKCXLWNHAR-FQEVSTJZSA-N 0 0 459.955 4.754 20 0 JJADRN COC(=O)Cc1cccc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)c1 ZINC001361016283 1066203919 /nfs/dbraw/zinc/20/39/19/1066203919.db2.gz KPCQTAUVAVPDME-UHFFFAOYSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCOCC2)c1 ZINC001361016497 1066204315 /nfs/dbraw/zinc/20/43/15/1066204315.db2.gz CHKOWQSHUPJRCF-PSWAGMNNSA-N 0 0 497.684 4.771 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC001361016503 1066204422 /nfs/dbraw/zinc/20/44/22/1066204422.db2.gz CMZFYXFULIMEBI-KRWDZBQOSA-N 0 0 465.545 4.753 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)s1 ZINC001361016737 1066204886 /nfs/dbraw/zinc/20/48/86/1066204886.db2.gz SOUKVGCSZCUWMG-UHFFFAOYSA-N 0 0 450.495 4.640 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCc2cc(C)cc(C)c2)cs1 ZINC001361016985 1066205121 /nfs/dbraw/zinc/20/51/21/1066205121.db2.gz ISDGUGDNGPZUOR-UHFFFAOYSA-N 0 0 491.583 4.841 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC001361017010 1066205153 /nfs/dbraw/zinc/20/51/53/1066205153.db2.gz JDHSWRIDSYKLJW-QHCPKHFHSA-N 0 0 454.659 4.748 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361017118 1066205560 /nfs/dbraw/zinc/20/55/60/1066205560.db2.gz JUNMUTSCOIDARU-OAQYLSRUSA-N 0 0 455.647 4.830 20 0 JJADRN Cc1cc(C)cc(CCn2c(N3CC(C)(C)OC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361017229 1066205717 /nfs/dbraw/zinc/20/57/17/1066205717.db2.gz MQYSOMRNQBBLEM-HHHXNRCGSA-N 0 0 470.658 4.572 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)C2)c1 ZINC001361017280 1066206113 /nfs/dbraw/zinc/20/61/13/1066206113.db2.gz NYGPYCQOZFHQCZ-QFIPXVFZSA-N 0 0 483.657 4.825 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCCC(=O)NC2CC2)c1 ZINC001361018607 1066208770 /nfs/dbraw/zinc/20/87/70/1066208770.db2.gz QDDUUSHSZPULEL-GCJKJVERSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2CCCN2CCCCC2=O)c1 ZINC001361019254 1066209359 /nfs/dbraw/zinc/20/93/59/1066209359.db2.gz YEPJFSZLXGATJW-OAQYLSRUSA-N 0 0 465.598 4.667 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020178 1066209864 /nfs/dbraw/zinc/20/98/64/1066209864.db2.gz QKEASYPMOAMGNX-MRXNPFEDSA-N 0 0 456.167 4.610 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020177 1066209933 /nfs/dbraw/zinc/20/99/33/1066209933.db2.gz QKEASYPMOAMGNX-INIZCTEOSA-N 0 0 456.167 4.610 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361020624 1066210456 /nfs/dbraw/zinc/21/04/56/1066210456.db2.gz AYNYHGLOZOCBAD-FQEVSTJZSA-N 0 0 491.558 4.896 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCCCC1 ZINC001361020628 1066210511 /nfs/dbraw/zinc/21/05/11/1066210511.db2.gz BFJWKOKDCDTEIX-UHFFFAOYSA-N 0 0 467.614 4.800 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001361020865 1066211736 /nfs/dbraw/zinc/21/17/36/1066211736.db2.gz KWQFOKSHIASZLW-RUZDIDTESA-N 0 0 497.709 4.837 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[C@H]2CCCCO2)c1 ZINC001361021000 1066212538 /nfs/dbraw/zinc/21/25/38/1066212538.db2.gz PWAAXBAOOQZXCR-HSZRJFAPSA-N 0 0 478.641 4.983 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccc(Cl)s2)n(C)n1 ZINC001361021353 1066214575 /nfs/dbraw/zinc/21/45/75/1066214575.db2.gz VNIOLAPNWLSWHT-UHFFFAOYSA-N 0 0 471.030 4.915 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccsc1 ZINC001361021579 1066215103 /nfs/dbraw/zinc/21/51/03/1066215103.db2.gz ZMPQVGDEZIMRLG-UHFFFAOYSA-N 0 0 450.612 4.836 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361021542 1066215160 /nfs/dbraw/zinc/21/51/60/1066215160.db2.gz YOAVMTRSXPAWBG-UHFFFAOYSA-N 0 0 469.655 4.785 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCSC2(C)C)no1 ZINC001361021919 1066215770 /nfs/dbraw/zinc/21/57/70/1066215770.db2.gz ALGBNKQPKWNLGJ-IBGZPJMESA-N 0 0 455.628 4.938 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)F)c(C)o1 ZINC001361022191 1066216796 /nfs/dbraw/zinc/21/67/96/1066216796.db2.gz IMEKWAMGWRKPBA-XMMPIXPASA-N 0 0 462.541 4.683 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361022351 1066217529 /nfs/dbraw/zinc/21/75/29/1066217529.db2.gz NUMYRWOCDFGJQB-IUTQVRIDSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2CCc2csc(C(C)C)n2)c1 ZINC001361022537 1066217975 /nfs/dbraw/zinc/21/79/75/1066217975.db2.gz UHFCSZHNNYIYAS-UHFFFAOYSA-N 0 0 466.611 4.921 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3cccs3)n2Cc2nccn2C(F)F)c1 ZINC001361022654 1066218768 /nfs/dbraw/zinc/21/87/68/1066218768.db2.gz XTUDKSIWLCNBFQ-UHFFFAOYSA-N 0 0 472.565 4.854 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361022693 1066219330 /nfs/dbraw/zinc/21/93/30/1066219330.db2.gz YWFSPHPNQZOMLL-RDPSFJRHSA-N 0 0 469.655 4.670 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361022691 1066219384 /nfs/dbraw/zinc/21/93/84/1066219384.db2.gz YWFSPHPNQZOMLL-GBXCKJPGSA-N 0 0 469.655 4.670 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCOC(C)(C)C)cs1 ZINC001361023802 1066220113 /nfs/dbraw/zinc/22/01/13/1066220113.db2.gz DIWMZOYGDZXBLJ-UHFFFAOYSA-N 0 0 457.644 4.733 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442775270 1066221176 /nfs/dbraw/zinc/22/11/76/1066221176.db2.gz IUMLYEUNBCNYBQ-WIYYLYMNSA-N 0 0 453.583 4.702 20 0 JJADRN C[C@H](CCOc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361024145 1066221199 /nfs/dbraw/zinc/22/11/99/1066221199.db2.gz SOHLJXKYXLNIIC-HOYKHHGWSA-N 0 0 455.551 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361024089 1066221338 /nfs/dbraw/zinc/22/13/38/1066221338.db2.gz HQPOSEQUTCLTBD-PMACEKPBSA-N 0 0 467.580 4.840 20 0 JJADRN O=C(NCC1(O)CCC(F)(F)CC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001453932257 1066221831 /nfs/dbraw/zinc/22/18/31/1066221831.db2.gz MONLYVXOXSSKQJ-UHFFFAOYSA-N 0 0 459.924 4.922 20 0 JJADRN COc1ccc2[nH]c(C)c(C(=O)NCC3(c4ccc(Br)cc4)CCOCC3)c2c1 ZINC001442782850 1066221971 /nfs/dbraw/zinc/22/19/71/1066221971.db2.gz PKGMMUGIDMSYAE-UHFFFAOYSA-N 0 0 457.368 4.726 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC[C@@H]3c3ccc(Br)cc3)C2)c1 ZINC001453938156 1066222845 /nfs/dbraw/zinc/22/28/45/1066222845.db2.gz UHKATYKOYLTBRX-SIKLNZKXSA-N 0 0 455.396 4.892 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C1(CC)CC ZINC001361024921 1066223436 /nfs/dbraw/zinc/22/34/36/1066223436.db2.gz ZZACAINJRVAQNW-WOJBJXKFSA-N 0 0 454.596 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001453941194 1066223334 /nfs/dbraw/zinc/22/33/34/1066223334.db2.gz DAHFYWVLPMYRBK-YOEHRIQHSA-N 0 0 455.368 4.556 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)O1 ZINC001546056279 1066223420 /nfs/dbraw/zinc/22/34/20/1066223420.db2.gz DIFQCEQDWWNEOU-UNIVCBNLSA-N 0 0 456.631 4.825 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1OCC1CCOCC1 ZINC001361025362 1066223845 /nfs/dbraw/zinc/22/38/45/1066223845.db2.gz CRDDSEHZSKRFCU-UHFFFAOYSA-N 0 0 456.436 4.727 20 0 JJADRN C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccncc1 ZINC001442799814 1066223970 /nfs/dbraw/zinc/22/39/70/1066223970.db2.gz GUDGMBIXULGOFD-XOBRGWDASA-N 0 0 456.315 4.583 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)c1ccccc1 ZINC001442802248 1066224180 /nfs/dbraw/zinc/22/41/80/1066224180.db2.gz XLAZECHVVCYVGX-JOCHJYFZSA-N 0 0 453.369 4.919 20 0 JJADRN C[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccncc1 ZINC001442799801 1066224280 /nfs/dbraw/zinc/22/42/80/1066224280.db2.gz GUDGMBIXULGOFD-JLTOFOAXSA-N 0 0 456.315 4.583 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCC1(c2cccc(C)c2)CCCC1)c1ccc(Br)cc1 ZINC001442805912 1066224639 /nfs/dbraw/zinc/22/46/39/1066224639.db2.gz BTPXCSTVCBUHQV-QFIPXVFZSA-N 0 0 457.412 4.953 20 0 JJADRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cnn(C(C)C)c2I)cc1 ZINC001361025738 1066224598 /nfs/dbraw/zinc/22/45/98/1066224598.db2.gz NFHVACKENZUEHI-CRAIPNDOSA-N 0 0 451.352 4.990 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)C2)c(O)cc1Cl ZINC001453948166 1066224850 /nfs/dbraw/zinc/22/48/50/1066224850.db2.gz PKQSBQSDJVJVKP-MRXNPFEDSA-N 0 0 455.967 4.621 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546056393 1066225257 /nfs/dbraw/zinc/22/52/57/1066225257.db2.gz FHFZIACITGBXSC-GBXCKJPGSA-N 0 0 457.550 4.585 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c1 ZINC001442808219 1066225332 /nfs/dbraw/zinc/22/53/32/1066225332.db2.gz BVVNSDCQTVDYOG-UHFFFAOYSA-N 0 0 450.516 4.741 20 0 JJADRN COc1cc(CN(C)C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c(SC)cc1OC ZINC001361025975 1066225560 /nfs/dbraw/zinc/22/55/60/1066225560.db2.gz UWIUXLAYYYTZLN-SQJMNOBHSA-N 0 0 478.655 4.954 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(F)c3Br)co2)cc1 ZINC001442807471 1066225387 /nfs/dbraw/zinc/22/53/87/1066225387.db2.gz INBJBWGAYPPXQO-UHFFFAOYSA-N 0 0 453.695 4.878 20 0 JJADRN Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4nc[nH]c4C(F)(F)F)cc3s2)s1 ZINC001442806418 1066225681 /nfs/dbraw/zinc/22/56/81/1066225681.db2.gz HNCPEKNHBLALNI-UHFFFAOYSA-N 0 0 451.455 4.913 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361026438 1066226013 /nfs/dbraw/zinc/22/60/13/1066226013.db2.gz BVJQSLSZTLJICF-UFHPHHKVSA-N 0 0 484.685 4.914 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546056466 1066226208 /nfs/dbraw/zinc/22/62/08/1066226208.db2.gz GEIKJMJNVKUCQC-NMNFXAFOSA-N 0 0 462.585 4.975 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 ZINC001453965305 1066226292 /nfs/dbraw/zinc/22/62/92/1066226292.db2.gz MHXQJZXTEFFQPR-SFHVURJKSA-N 0 0 458.381 4.855 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)OC ZINC001545952135 1066226901 /nfs/dbraw/zinc/22/69/01/1066226901.db2.gz HXRTXHQGBLFMMZ-SZVBFZGTSA-N 0 0 474.499 4.530 20 0 JJADRN CCc1c(C(=O)NCCc2coc(-c3ccc(OC)cc3)n2)cnn1-c1ccc(Cl)cc1 ZINC001442819147 1066227226 /nfs/dbraw/zinc/22/72/26/1066227226.db2.gz UTFJUFYWLJIZNG-UHFFFAOYSA-N 0 0 450.926 4.724 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)c(C)n1-c1cnn(C)c1 ZINC001453967272 1066227067 /nfs/dbraw/zinc/22/70/67/1066227067.db2.gz RKDOWCOZTMTDPU-IBGZPJMESA-N 0 0 459.413 4.597 20 0 JJADRN O=C(NCc1ccc(-c2ccccc2)s1)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001453975081 1066227553 /nfs/dbraw/zinc/22/75/53/1066227553.db2.gz RMCXBLLCRLOWDD-UHFFFAOYSA-N 0 0 456.011 4.743 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H]2Cc3ccccc3S2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027067 1066227584 /nfs/dbraw/zinc/22/75/84/1066227584.db2.gz MSCYNCDZGODZCK-BJKOFHAPSA-N 0 0 451.613 4.575 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC001442824989 1066227884 /nfs/dbraw/zinc/22/78/84/1066227884.db2.gz JTWFUKKHAPLVQK-ZDUSSCGKSA-N 0 0 454.365 4.632 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)/C(=C/c2ccccc2)C(F)(F)F)c2ccccc2)c1 ZINC001361027093 1066228095 /nfs/dbraw/zinc/22/80/95/1066228095.db2.gz NKUPNCNCSJGEEP-GYZZIOIESA-N 0 0 459.489 4.942 20 0 JJADRN COc1cc(CCNC(=O)Cc2cncc3ccccc32)cc(OC)c1OCc1ccccc1 ZINC001453976182 1066228408 /nfs/dbraw/zinc/22/84/08/1066228408.db2.gz UMFNGWJZOLKNLB-UHFFFAOYSA-N 0 0 456.542 4.732 20 0 JJADRN COc1cc(CCNC(=O)[C@@H](O)C2CCCCCCC2)cc(OC)c1OCc1ccccc1 ZINC001453977539 1066228579 /nfs/dbraw/zinc/22/85/79/1066228579.db2.gz WFECBGBFRJNWAE-VWLOTQADSA-N 0 0 455.595 4.663 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC001442831110 1066229246 /nfs/dbraw/zinc/22/92/46/1066229246.db2.gz CKCGGTBOXOXNFR-NSHDSACASA-N 0 0 450.429 4.878 20 0 JJADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(F)c(Br)c1F ZINC001453986664 1066230155 /nfs/dbraw/zinc/23/01/55/1066230155.db2.gz WQHFOJFXLKATCN-OAHLLOKOSA-N 0 0 457.340 4.526 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC001453991545 1066230642 /nfs/dbraw/zinc/23/06/42/1066230642.db2.gz XMGNIAPJEFAPPC-OPAMFIHVSA-N 0 0 456.533 4.959 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001442845142 1066230893 /nfs/dbraw/zinc/23/08/93/1066230893.db2.gz WQYKPESJNVYJLU-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(OC)C2)O1 ZINC001546057223 1066231137 /nfs/dbraw/zinc/23/11/37/1066231137.db2.gz OVNOYPWGEPIDIP-BWKNWUBXSA-N 0 0 456.631 4.727 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](CCOC)C2)O1 ZINC001546057030 1066231410 /nfs/dbraw/zinc/23/14/10/1066231410.db2.gz NCNVBQZFHDLYDF-WHSBFGAESA-N 0 0 456.631 4.684 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC001361028035 1066231778 /nfs/dbraw/zinc/23/17/78/1066231778.db2.gz XPKJSZQOZGOUKV-QFIPXVFZSA-N 0 0 458.587 4.511 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCCC(=O)Nc3cccc(Cl)c3C)[nH]n2)c1C ZINC001442855772 1066232286 /nfs/dbraw/zinc/23/22/86/1066232286.db2.gz LMSAOSLVLAXYKE-ZDUSSCGKSA-N 0 0 456.978 4.581 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC001442860868 1066232975 /nfs/dbraw/zinc/23/29/75/1066232975.db2.gz ANXXMWCMHIGYKB-SFHVURJKSA-N 0 0 454.571 4.850 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001454009271 1066233285 /nfs/dbraw/zinc/23/32/85/1066233285.db2.gz JTVBIJHXVUCREX-CQSZACIVSA-N 0 0 450.530 4.569 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001454007084 1066233303 /nfs/dbraw/zinc/23/33/03/1066233303.db2.gz OLWZCFQSBWREEV-NRFANRHFSA-N 0 0 450.595 4.909 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC001454009100 1066233448 /nfs/dbraw/zinc/23/34/48/1066233448.db2.gz XGGNAJYNQKFFBQ-GOSISDBHSA-N 0 0 452.338 4.510 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC(C)(F)F)c1 ZINC001361028415 1066233468 /nfs/dbraw/zinc/23/34/68/1066233468.db2.gz HVTMNFXDPUJNGC-UHFFFAOYSA-N 0 0 474.474 4.867 20 0 JJADRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442865931 1066233469 /nfs/dbraw/zinc/23/34/69/1066233469.db2.gz DTSOTEFHHCQWRX-HNNXBMFYSA-N 0 0 450.366 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361028671 1066233879 /nfs/dbraw/zinc/23/38/79/1066233879.db2.gz ODONJLMPPCNUMI-NBGIEHNGSA-N 0 0 454.640 4.925 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001442865578 1066233967 /nfs/dbraw/zinc/23/39/67/1066233967.db2.gz PNHQXPDBEVTBMK-UHFFFAOYSA-N 0 0 454.933 4.718 20 0 JJADRN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454009588 1066234121 /nfs/dbraw/zinc/23/41/21/1066234121.db2.gz AWNSDHKZOXVEHP-ZTQAJYAQSA-N 0 0 451.311 4.606 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CCCC(F)(F)F)c1 ZINC001361028574 1066234090 /nfs/dbraw/zinc/23/40/90/1066234090.db2.gz LLYYRVVIQYMBTO-CVDCTZTESA-N 0 0 482.547 4.591 20 0 JJADRN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454009585 1066234319 /nfs/dbraw/zinc/23/43/19/1066234319.db2.gz AWNSDHKZOXVEHP-NQYLQCIDSA-N 0 0 451.311 4.606 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cc(-n3cccc3)ccc2F)cc1 ZINC001442868554 1066234374 /nfs/dbraw/zinc/23/43/74/1066234374.db2.gz KYRPAAUZMRONQH-UHFFFAOYSA-N 0 0 451.527 4.591 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001442870043 1066234535 /nfs/dbraw/zinc/23/45/35/1066234535.db2.gz BPAIPDAOJQARPA-MRXNPFEDSA-N 0 0 458.484 4.955 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361028749 1066234646 /nfs/dbraw/zinc/23/46/46/1066234646.db2.gz QENYYEMKEVYRDM-IRXDYDNUSA-N 0 0 474.581 4.580 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC2CCOCC2)c1 ZINC001361028906 1066235446 /nfs/dbraw/zinc/23/54/46/1066235446.db2.gz UUNFMMIFRVYSHE-UHFFFAOYSA-N 0 0 464.532 4.989 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2nccn2C(F)F)c1 ZINC001361028985 1066235505 /nfs/dbraw/zinc/23/55/05/1066235505.db2.gz WPSSLPGCCORKMG-UHFFFAOYSA-N 0 0 484.473 4.893 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC001442875228 1066235968 /nfs/dbraw/zinc/23/59/68/1066235968.db2.gz JMQIJQITUQQGED-UHFFFAOYSA-N 0 0 452.580 4.541 20 0 JJADRN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454023463 1066236683 /nfs/dbraw/zinc/23/66/83/1066236683.db2.gz TZEOVJJYYREVQI-OAQYLSRUSA-N 0 0 455.526 4.959 20 0 JJADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccc(C)cc1 ZINC001442882213 1066236940 /nfs/dbraw/zinc/23/69/40/1066236940.db2.gz ZELMBIBJSSXAOJ-BCHFMIIMSA-N 0 0 458.558 4.900 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442881795 1066237326 /nfs/dbraw/zinc/23/73/26/1066237326.db2.gz SLGQCRNCOXZCOL-ZDUSSCGKSA-N 0 0 453.402 4.580 20 0 JJADRN COc1ccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC001442886647 1066237343 /nfs/dbraw/zinc/23/73/43/1066237343.db2.gz RKJNJZAPAXNBCC-JOCHJYFZSA-N 0 0 456.608 4.577 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1csc(-c2cnccn2)n1 ZINC001361030205 1066237265 /nfs/dbraw/zinc/23/72/65/1066237265.db2.gz HVOFJWXBLIGQJK-UHFFFAOYSA-N 0 0 454.309 4.802 20 0 JJADRN Cc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(Br)c(C)c3)s2)cs1 ZINC001361030215 1066237569 /nfs/dbraw/zinc/23/75/69/1066237569.db2.gz ZGLCWMSDPMKHQL-UHFFFAOYSA-N 0 0 450.383 4.619 20 0 JJADRN Cc1ccccc1C1(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCCCC1 ZINC001442905300 1066237700 /nfs/dbraw/zinc/23/77/00/1066237700.db2.gz CQYZSSNUIFJACO-AREMUKBSSA-N 0 0 455.602 4.749 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001361030701 1066238099 /nfs/dbraw/zinc/23/80/99/1066238099.db2.gz VFKQNXQLYGNBFL-YIGJPRQDSA-N 0 0 458.961 4.802 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001454036951 1066238021 /nfs/dbraw/zinc/23/80/21/1066238021.db2.gz ISARTPOPIQUZDB-NOZRDPDXSA-N 0 0 456.652 4.962 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001454036947 1066238084 /nfs/dbraw/zinc/23/80/84/1066238084.db2.gz ISARTPOPIQUZDB-ILBGXUMGSA-N 0 0 456.652 4.962 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546056899 1066238213 /nfs/dbraw/zinc/23/82/13/1066238213.db2.gz LECIVWCBHGDUEA-WGURPXDASA-N 0 0 474.621 4.985 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2(C)CCOCC2)c1 ZINC001361030922 1066238714 /nfs/dbraw/zinc/23/87/14/1066238714.db2.gz BAVAPSSPVFOTQM-QFIPXVFZSA-N 0 0 456.631 4.542 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546057355 1066238745 /nfs/dbraw/zinc/23/87/45/1066238745.db2.gz QOXILMUOHKYJSC-MEKIYTOJSA-N 0 0 463.022 4.721 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546057365 1066238787 /nfs/dbraw/zinc/23/87/87/1066238787.db2.gz QWFQUZULUGZNDQ-PXDATVDWSA-N 0 0 453.587 4.754 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(I)cn1 ZINC001361030859 1066238933 /nfs/dbraw/zinc/23/89/33/1066238933.db2.gz ZRKCQGKJKKGTMR-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361030971 1066239362 /nfs/dbraw/zinc/23/93/62/1066239362.db2.gz CFUMODBGEXIMRA-IBGZPJMESA-N 0 0 488.558 4.762 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2CCC2CCOCC2)c1 ZINC001361031021 1066239511 /nfs/dbraw/zinc/23/95/11/1066239511.db2.gz DZUSJAZMIQWWAQ-UHFFFAOYSA-N 0 0 475.431 4.780 20 0 JJADRN COc1cc(I)c(C(=O)N2CCC[C@H](C3CCCCC3)C2)cc1OC ZINC001454042593 1066239485 /nfs/dbraw/zinc/23/94/85/1066239485.db2.gz NSTLKOGNIRHRGE-HNNXBMFYSA-N 0 0 457.352 4.741 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]4CCC[C@@H]43)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361031158 1066240226 /nfs/dbraw/zinc/24/02/26/1066240226.db2.gz JIFHRDWVEZFHIL-URVUXULASA-N 0 0 469.630 4.766 20 0 JJADRN O=C(c1cccc(F)c1OC(F)(F)F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442916496 1066240305 /nfs/dbraw/zinc/24/03/05/1066240305.db2.gz BLJZYGDQIQOEKK-CYBMUJFWSA-N 0 0 453.367 4.933 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)CCSc2ncnc3sc(C)c(C)c32)on1 ZINC001454052200 1066240892 /nfs/dbraw/zinc/24/08/92/1066240892.db2.gz DKYZZFQGQWSIMS-UHFFFAOYSA-N 0 0 454.577 4.770 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546057521 1066241155 /nfs/dbraw/zinc/24/11/55/1066241155.db2.gz TVAIIVIZCLYQSN-XCRWMPKNSA-N 0 0 470.658 4.889 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2Cc2ccncc2Cl)c1 ZINC001361031306 1066241492 /nfs/dbraw/zinc/24/14/92/1066241492.db2.gz NZNXPZIMZPYQQB-UHFFFAOYSA-N 0 0 470.017 4.964 20 0 JJADRN CN(C[C@@H]1CC1(C)C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001454062683 1066241561 /nfs/dbraw/zinc/24/15/61/1066241561.db2.gz PUQFQUMLNSTGAV-HNNXBMFYSA-N 0 0 455.407 4.841 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001454060452 1066241683 /nfs/dbraw/zinc/24/16/83/1066241683.db2.gz DQPQYIPSBXKTHG-SIBVEZHUSA-N 0 0 451.567 4.958 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2CCCOC(C)C)c1 ZINC001361031385 1066241742 /nfs/dbraw/zinc/24/17/42/1066241742.db2.gz QBSURGPUTMMUFI-UHFFFAOYSA-N 0 0 463.420 4.778 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(C3)CCOCC4)n2CCCOCC(C)C)c1 ZINC001361031515 1066242407 /nfs/dbraw/zinc/24/24/07/1066242407.db2.gz UESXDXTXKSCCRA-UHFFFAOYSA-N 0 0 456.631 4.544 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546057583 1066242448 /nfs/dbraw/zinc/24/24/48/1066242448.db2.gz UWVSSGAWNGKYAT-CFGBTRHTSA-N 0 0 458.672 4.750 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001361031685 1066243078 /nfs/dbraw/zinc/24/30/78/1066243078.db2.gz YOZFHWXAPMENCD-PGRDOPGGSA-N 0 0 452.521 4.822 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546057719 1066243434 /nfs/dbraw/zinc/24/34/34/1066243434.db2.gz WMBOQTCHIVRPEM-RFZFDZAKSA-N 0 0 478.584 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCC2CCCC2)c1 ZINC001361031942 1066243682 /nfs/dbraw/zinc/24/36/82/1066243682.db2.gz GGIOBWIPNQBHDU-QFIPXVFZSA-N 0 0 453.631 4.536 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001442934591 1066244001 /nfs/dbraw/zinc/24/40/01/1066244001.db2.gz CCJKKNSOPXRRRI-BJKOFHAPSA-N 0 0 459.030 4.641 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361032008 1066244420 /nfs/dbraw/zinc/24/44/20/1066244420.db2.gz HTRZKQLWJJMXHJ-OYKDXHIPSA-N 0 0 458.672 4.790 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(OC)cc2)O1 ZINC001546057948 1066244614 /nfs/dbraw/zinc/24/46/14/1066244614.db2.gz ZCABUUOVUVWCLU-ROSOWXQZSA-N 0 0 466.630 4.693 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C2CC2)c1 ZINC001361032300 1066245491 /nfs/dbraw/zinc/24/54/91/1066245491.db2.gz PWMJWAHOLKWAIA-IBGZPJMESA-N 0 0 455.603 4.550 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001442955413 1066245769 /nfs/dbraw/zinc/24/57/69/1066245769.db2.gz KAFYAMPOIPEYJG-QHAWAJNXSA-N 0 0 459.631 4.501 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001442959382 1066246193 /nfs/dbraw/zinc/24/61/93/1066246193.db2.gz NLUZREBMGGJYNE-XXBNENTESA-N 0 0 459.631 4.501 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC001361032457 1066246215 /nfs/dbraw/zinc/24/62/15/1066246215.db2.gz BHZIAHCSHLJKCJ-QGZVFWFLSA-N 0 0 459.512 4.871 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC2(C)CC2)c1 ZINC001361032319 1066246426 /nfs/dbraw/zinc/24/64/26/1066246426.db2.gz QMAKDQXSNCVABV-QFIPXVFZSA-N 0 0 467.658 4.653 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001361032863 1066247480 /nfs/dbraw/zinc/24/74/80/1066247480.db2.gz VHKPXKPYTLFWNH-JOCHJYFZSA-N 0 0 480.657 4.656 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)n2)c1 ZINC001442967377 1066247526 /nfs/dbraw/zinc/24/75/26/1066247526.db2.gz LTXPZVBMZRYJOY-UHFFFAOYSA-N 0 0 450.495 4.780 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)CC2)s1 ZINC001361032854 1066247772 /nfs/dbraw/zinc/24/77/72/1066247772.db2.gz VFMLBOUXNOOMDT-KRWDZBQOSA-N 0 0 454.644 4.893 20 0 JJADRN Cc1ccc(C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1NC(=O)NC(C)(C)C ZINC001454118987 1066247608 /nfs/dbraw/zinc/24/76/08/1066247608.db2.gz NJXXHKISGGUSAE-AREMUKBSSA-N 0 0 453.583 4.902 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)c1 ZINC001454119995 1066247927 /nfs/dbraw/zinc/24/79/27/1066247927.db2.gz SJZGWLDPBSJWOI-UHFFFAOYSA-N 0 0 456.344 4.675 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)c1 ZINC001454118242 1066248004 /nfs/dbraw/zinc/24/80/04/1066248004.db2.gz MKEQYNNWJHFPPX-UHFFFAOYSA-N 0 0 456.506 4.922 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)no1 ZINC001361033037 1066248216 /nfs/dbraw/zinc/24/82/16/1066248216.db2.gz XCADHMLIYHMMAQ-NRFANRHFSA-N 0 0 453.587 4.603 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001442974455 1066248447 /nfs/dbraw/zinc/24/84/47/1066248447.db2.gz ROZNGUYCCYFEHW-KBXCAEBGSA-N 0 0 459.568 4.699 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C)CC3)n2CCOc2ncccc2F)c1 ZINC001361033108 1066248797 /nfs/dbraw/zinc/24/87/97/1066248797.db2.gz YBTQBRMIXLKORO-SFHVURJKSA-N 0 0 453.562 4.713 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C)C3)n2Cc2cccc(Br)n2)c1 ZINC001361033180 1066248875 /nfs/dbraw/zinc/24/88/75/1066248875.db2.gz ZEBSJRCZAKUBHL-INIZCTEOSA-N 0 0 470.415 4.916 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCCOCC2CCOCC2)c1 ZINC001361033122 1066248937 /nfs/dbraw/zinc/24/89/37/1066248937.db2.gz YHDCKPNDYOPJBI-NRFANRHFSA-N 0 0 470.658 4.934 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361033076 1066248959 /nfs/dbraw/zinc/24/89/59/1066248959.db2.gz XREFRMXPVJVQRK-PMACEKPBSA-N 0 0 482.547 4.591 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001442975686 1066248969 /nfs/dbraw/zinc/24/89/69/1066248969.db2.gz MIWZKYBAHXEEDT-UHFFFAOYSA-N 0 0 456.999 4.715 20 0 JJADRN C[C@H](C(=O)NCc1nc(-c2ccncc2)cs1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442974937 1066249068 /nfs/dbraw/zinc/24/90/68/1066249068.db2.gz IPMDLHGVFANATP-KKSFZXQISA-N 0 0 452.580 4.723 20 0 JJADRN C[C@@H](C(=O)NCc1nc(-c2ccncc2)cs1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442974935 1066249156 /nfs/dbraw/zinc/24/91/56/1066249156.db2.gz IPMDLHGVFANATP-IIBYNOLFSA-N 0 0 452.580 4.723 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCCN1Cc1ccncc1 ZINC001454138230 1066249223 /nfs/dbraw/zinc/24/92/23/1066249223.db2.gz UDRWHNPLKMBPNL-SFHVURJKSA-N 0 0 457.397 4.961 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(Nc4ccccc4Cl)CC3)no2)c1 ZINC001442979167 1066249610 /nfs/dbraw/zinc/24/96/10/1066249610.db2.gz XUCFSWRCNLDWET-UHFFFAOYSA-N 0 0 453.926 4.826 20 0 JJADRN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001546058208 1066250128 /nfs/dbraw/zinc/25/01/28/1066250128.db2.gz GTOUMDXCRWLXRJ-GRTQGXPSSA-N 0 0 455.423 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C(C)(C)C)nn1)c1cccc(C(F)(F)F)c1 ZINC001361034189 1066250163 /nfs/dbraw/zinc/25/01/63/1066250163.db2.gz NAHXQNROFBZTCA-QGZVFWFLSA-N 0 0 452.477 4.997 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001361033480 1066250245 /nfs/dbraw/zinc/25/02/45/1066250245.db2.gz UVJLSQPDIOEMFR-HSZRJFAPSA-N 0 0 451.906 4.726 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C(C)(C)C)nn1)c1cccc(C(F)(F)F)c1 ZINC001361034188 1066250319 /nfs/dbraw/zinc/25/03/19/1066250319.db2.gz NAHXQNROFBZTCA-KRWDZBQOSA-N 0 0 452.477 4.997 20 0 JJADRN O=C(Nc1ccc([C@H]2NC(=O)NC2=O)cc1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001454162790 1066250598 /nfs/dbraw/zinc/25/05/98/1066250598.db2.gz SFQRUIJQJADYDL-LJQANCHMSA-N 0 0 456.285 4.919 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001454153156 1066250724 /nfs/dbraw/zinc/25/07/24/1066250724.db2.gz MEKIQOIZGJGRCP-SFHVURJKSA-N 0 0 450.923 4.844 20 0 JJADRN O=C(Nc1ccc([C@@H]2NC(=O)NC2=O)cc1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001454164713 1066250733 /nfs/dbraw/zinc/25/07/33/1066250733.db2.gz UNHWYZPXGXRJLN-IBGZPJMESA-N 0 0 456.285 4.919 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC(F)(F)Br)c1 ZINC001361034758 1066250858 /nfs/dbraw/zinc/25/08/58/1066250858.db2.gz CNGMHEINGFFDSO-WBVHZDCISA-N 0 0 455.347 4.840 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545953474 1066251282 /nfs/dbraw/zinc/25/12/82/1066251282.db2.gz YHPQIHFCWNTFOI-UHOSZYNNSA-N 0 0 494.036 4.600 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545953471 1066251462 /nfs/dbraw/zinc/25/14/62/1066251462.db2.gz YHPQIHFCWNTFOI-BHIYHBOVSA-N 0 0 494.036 4.600 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)Cc2cccs2)c1 ZINC001361034827 1066251867 /nfs/dbraw/zinc/25/18/67/1066251867.db2.gz FOHYFWJGJIJCBN-JOCHJYFZSA-N 0 0 495.693 4.719 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](NC(=O)CCCF)c2ccccc2)cc1 ZINC001454187040 1066251930 /nfs/dbraw/zinc/25/19/30/1066251930.db2.gz QLRJSTSKWUVBBI-DQEYMECFSA-N 0 0 454.567 4.622 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001454188810 1066252013 /nfs/dbraw/zinc/25/20/13/1066252013.db2.gz BIINDFXCIGFMIU-LJQANCHMSA-N 0 0 453.535 4.529 20 0 JJADRN Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001454189770 1066252091 /nfs/dbraw/zinc/25/20/91/1066252091.db2.gz JTCAFPLMRZLIMP-UHFFFAOYSA-N 0 0 457.452 4.850 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)cs1 ZINC001454190707 1066252122 /nfs/dbraw/zinc/25/21/22/1066252122.db2.gz FRCNYKYMYIQGOD-FQEVSTJZSA-N 0 0 451.592 4.955 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001454193789 1066252601 /nfs/dbraw/zinc/25/26/01/1066252601.db2.gz LJODAYGNUFOYHF-IBGZPJMESA-N 0 0 459.384 4.991 20 0 JJADRN 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MAMTYSBPXOHLHL-UHFFFAOYSA-N 0 0 451.324 4.789 20 0 JJADRN Cc1cc2c(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)n[nH]c2c(Br)c1 ZINC001454279155 1066263714 /nfs/dbraw/zinc/26/37/14/1066263714.db2.gz IUWDHWRNKYDHPV-ZDUSSCGKSA-N 0 0 451.365 4.752 20 0 JJADRN O=C(CNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1Cl ZINC001454277516 1066263851 /nfs/dbraw/zinc/26/38/51/1066263851.db2.gz OLUAYOLBHXEABB-UHFFFAOYSA-N 0 0 457.672 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC001361041044 1066263800 /nfs/dbraw/zinc/26/38/00/1066263800.db2.gz OPLUFZUFYBROIA-RTBURBONSA-N 0 0 450.023 4.852 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC001443086459 1066263966 /nfs/dbraw/zinc/26/39/66/1066263966.db2.gz HJFZGNXXPUOBHS-NRFANRHFSA-N 0 0 453.974 4.687 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)c1 ZINC001361041559 1066264377 /nfs/dbraw/zinc/26/43/77/1066264377.db2.gz CENDSCCVVJNXPY-QHCPKHFHSA-N 0 0 499.656 4.519 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3c(Cl)cc(F)cc3Br)CC2)cc1 ZINC001443089474 1066264793 /nfs/dbraw/zinc/26/47/93/1066264793.db2.gz MBZGPFUKSUHSIV-UHFFFAOYSA-N 0 0 453.739 4.585 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3cccnc3)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001361041922 1066264798 /nfs/dbraw/zinc/26/47/98/1066264798.db2.gz NAJGCNZHCCMKKV-UHFFFAOYSA-N 0 0 457.500 4.659 20 0 JJADRN COc1cc(C(=O)N(C)OCC(F)(F)F)ccc1OCc1ccc(Br)s1 ZINC001454283790 1066264889 /nfs/dbraw/zinc/26/48/89/1066264889.db2.gz DVKVDDAFEAWULL-UHFFFAOYSA-N 0 0 454.264 4.664 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(OC)CC2)O1 ZINC001546059361 1066265067 /nfs/dbraw/zinc/26/50/67/1066265067.db2.gz IYHRNFSHRWQFGY-WECLNZLDSA-N 0 0 462.679 4.940 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361041805 1066265097 /nfs/dbraw/zinc/26/50/97/1066265097.db2.gz KCVKNEGKRCCOTK-OAQYLSRUSA-N 0 0 471.646 4.523 20 0 JJADRN O=C(Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1c[nH]cc1-c1ccccc1F ZINC001454293269 1066265555 /nfs/dbraw/zinc/26/55/55/1066265555.db2.gz AUQIMNOOEQSQCE-AWEZNQCLSA-N 0 0 458.331 4.654 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Br)o2)c1 ZINC001361042026 1066265551 /nfs/dbraw/zinc/26/55/51/1066265551.db2.gz PZNZJIYTLAHWSI-UHFFFAOYSA-N 0 0 484.398 4.971 20 0 JJADRN O=C(NCc1ccnc2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001454294529 1066265731 /nfs/dbraw/zinc/26/57/31/1066265731.db2.gz HADGZHOAXURSTK-UHFFFAOYSA-N 0 0 451.935 4.619 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001443093584 1066266005 /nfs/dbraw/zinc/26/60/05/1066266005.db2.gz STVRTMCBIIHNCD-SEYXRHQNSA-N 0 0 457.574 4.766 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCN([C@@H](C)c4nccs4)CC3)nnc2C(C)(C)C)c1 ZINC001361042411 1066266136 /nfs/dbraw/zinc/26/61/36/1066266136.db2.gz CKIVSNMVIXTHTA-FQEVSTJZSA-N 0 0 468.671 4.611 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCN([C@H](C)c4nccs4)CC3)nnc2C(C)(C)C)c1 ZINC001361042412 1066266160 /nfs/dbraw/zinc/26/61/60/1066266160.db2.gz CKIVSNMVIXTHTA-HXUWFJFHSA-N 0 0 468.671 4.611 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042277 1066266172 /nfs/dbraw/zinc/26/61/72/1066266172.db2.gz YKNKZGZQKDPPFD-QHCPKHFHSA-N 0 0 468.564 4.702 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546059496 1066266372 /nfs/dbraw/zinc/26/63/72/1066266372.db2.gz KZOJUJMCQBQQNP-JKYVINEHSA-N 0 0 472.678 4.531 20 0 JJADRN COCCn1ncc(C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)c1C ZINC001443097293 1066266589 /nfs/dbraw/zinc/26/65/89/1066266589.db2.gz SVFRPSLTMZSCBY-UHFFFAOYSA-N 0 0 451.958 4.726 20 0 JJADRN Cc1ccc2c(CC(=O)Nc3ccc(N4CC[C@@H](CO)C4)c(Br)c3)coc2c1C ZINC001454305328 1066266922 /nfs/dbraw/zinc/26/69/22/1066266922.db2.gz XAOBTAXYHQUHHY-MRXNPFEDSA-N 0 0 457.368 4.812 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCC(F)(F)F)CC2)n1 ZINC001361042460 1066266885 /nfs/dbraw/zinc/26/68/85/1066266885.db2.gz FCNZRPBULQTQGE-UHFFFAOYSA-N 0 0 497.928 4.814 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3cccc(C4OCCO4)c3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001443099666 1066267207 /nfs/dbraw/zinc/26/72/07/1066267207.db2.gz FTTFYEZVKZTGBD-GJZGRUSLSA-N 0 0 450.457 4.617 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCC(F)(F)F)CC2)n1 ZINC001361042960 1066267402 /nfs/dbraw/zinc/26/74/02/1066267402.db2.gz WRVBOLPFYVIWME-UHFFFAOYSA-N 0 0 479.938 4.674 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccsc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC001361042872 1066267445 /nfs/dbraw/zinc/26/74/45/1066267445.db2.gz UBYVIADEGGIROB-QHCPKHFHSA-N 0 0 495.693 4.615 20 0 JJADRN COc1ccccc1C[C@](C)(CO)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454308031 1066267641 /nfs/dbraw/zinc/26/76/41/1066267641.db2.gz XIGHUAOPXOVAAP-OAQYLSRUSA-N 0 0 450.482 4.561 20 0 JJADRN Cc1cccc(COc2ccc([C@H](C)NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)cc2)c1 ZINC001443100559 1066268127 /nfs/dbraw/zinc/26/81/27/1066268127.db2.gz PDDADNSBDNZBHD-HFZDXXHNSA-N 0 0 457.574 4.908 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001454310419 1066268883 /nfs/dbraw/zinc/26/88/83/1066268883.db2.gz ONTSTSXWWJFWOB-HSZRJFAPSA-N 0 0 457.368 4.951 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)O[C@@H](C)C2 ZINC001443105486 1066269312 /nfs/dbraw/zinc/26/93/12/1066269312.db2.gz WXHWJNOCTWIOHM-AWEZNQCLSA-N 0 0 459.974 4.912 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC001454315337 1066269315 /nfs/dbraw/zinc/26/93/15/1066269315.db2.gz TTWPECMLDSYKBT-XMMPIXPASA-N 0 0 452.555 4.603 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001545954490 1066269633 /nfs/dbraw/zinc/26/96/33/1066269633.db2.gz FRMLBFAKGSGSBR-YADHBBJMSA-N 0 0 468.671 4.645 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N(C)Cc3cnn(Cc4ccccc4)c3)nnc2C(C)(C)C)O1 ZINC001546059890 1066271118 /nfs/dbraw/zinc/27/11/18/1066271118.db2.gz SFRNDCQHCUXBSN-NVQXNPDNSA-N 0 0 450.631 4.805 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCOCCCO)c2ccccc2n1 ZINC001361045899 1066272318 /nfs/dbraw/zinc/27/23/18/1066272318.db2.gz NNNPZAURCFQTLN-UHFFFAOYSA-N 0 0 472.014 4.552 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136320 1066272466 /nfs/dbraw/zinc/27/24/66/1066272466.db2.gz JYAWETKJECRNNC-BVZFJXPGSA-N 0 0 455.574 4.624 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[S@](=O)C(C)(C)C)s1 ZINC001361045964 1066273051 /nfs/dbraw/zinc/27/30/51/1066273051.db2.gz QGEIHXJHXCXFSB-XIFFEERXSA-N 0 0 482.679 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)CCCc3ncc(-c4ccccc4)o3)C[C@@]2(C)C1 ZINC001454343065 1066273215 /nfs/dbraw/zinc/27/32/15/1066273215.db2.gz ATCJYQFWLDZDCW-WMPKNSHKSA-N 0 0 453.583 4.770 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N3C[C@]4(C)CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)cc2)n1 ZINC001454342961 1066273264 /nfs/dbraw/zinc/27/32/64/1066273264.db2.gz APMAWMGHEVYPDR-PSWAGMNNSA-N 0 0 456.612 4.914 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cscc2C(F)(F)F)C1 ZINC001546060393 1066274582 /nfs/dbraw/zinc/27/45/82/1066274582.db2.gz ZJAOJDHEPRVBFM-FQEVSTJZSA-N 0 0 464.517 4.680 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cc(C)ccc1NC(C)=O)NC(=O)OC(C)(C)C ZINC001443158157 1066274993 /nfs/dbraw/zinc/27/49/93/1066274993.db2.gz IAEHGAJZCACWIX-FQEVSTJZSA-N 0 0 455.555 4.947 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cc(F)ccc1Br ZINC001361046310 1066275137 /nfs/dbraw/zinc/27/51/37/1066275137.db2.gz BSXVDRXQQIGLAY-KDOFPFPSSA-N 0 0 457.384 4.815 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1Br ZINC001361046315 1066275254 /nfs/dbraw/zinc/27/52/54/1066275254.db2.gz BXBRXHSPQLHAKK-CXAGYDPISA-N 0 0 459.812 4.939 20 0 JJADRN CN(C)C(=O)Sc1ccccc1NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC001443155742 1066275136 /nfs/dbraw/zinc/27/51/36/1066275136.db2.gz UYEWVBHBRWYRBN-UHFFFAOYSA-N 0 0 450.586 4.835 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CSc3nccn3-c3cccc(Cl)c3C)CCO2)cc1 ZINC001454356492 1066275267 /nfs/dbraw/zinc/27/52/67/1066275267.db2.gz VMQVZBMULVAZMW-NRFANRHFSA-N 0 0 457.983 4.535 20 0 JJADRN Cn1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454359961 1066275346 /nfs/dbraw/zinc/27/53/46/1066275346.db2.gz DYLMNGWXPUBGLQ-UGKGYDQZSA-N 0 0 453.583 4.823 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001361046725 1066275733 /nfs/dbraw/zinc/27/57/33/1066275733.db2.gz KWTXLWSAYGCGMB-JVPBZIDWSA-N 0 0 451.405 4.773 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)cc1Cl ZINC001454361328 1066275848 /nfs/dbraw/zinc/27/58/48/1066275848.db2.gz WYDWUBFDGSXIMK-INIZCTEOSA-N 0 0 451.995 4.541 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001443162020 1066275810 /nfs/dbraw/zinc/27/58/10/1066275810.db2.gz MUIIAHOGTFUNOL-UHFFFAOYSA-N 0 0 459.527 4.502 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC001443163322 1066275869 /nfs/dbraw/zinc/27/58/69/1066275869.db2.gz UDDPVAKEFAINPJ-UHFFFAOYSA-N 0 0 450.922 4.820 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CSc1cccc(Br)c1 ZINC001361046788 1066276292 /nfs/dbraw/zinc/27/62/92/1066276292.db2.gz MBLRLNHGSDLLAF-PBHICJAKSA-N 0 0 457.434 4.836 20 0 JJADRN O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001361046989 1066276383 /nfs/dbraw/zinc/27/63/83/1066276383.db2.gz QNLQHVDZHYHFNH-AWEZNQCLSA-N 0 0 457.699 4.572 20 0 JJADRN Cc1c(C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc(CNC(=O)OC(C)(C)C)n1C ZINC001443165692 1066276551 /nfs/dbraw/zinc/27/65/51/1066276551.db2.gz PDLIBFLQVPZPOP-UHFFFAOYSA-N 0 0 455.477 4.860 20 0 JJADRN O=C(N[C@H](CO)[C@H](O)C1CCCCC1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454380395 1066276762 /nfs/dbraw/zinc/27/67/62/1066276762.db2.gz QQIDRAPOFWBZCE-IFMALSPDSA-N 0 0 456.633 4.621 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Oc1ccc(-c2cscn2)cc1 ZINC001361047947 1066277217 /nfs/dbraw/zinc/27/72/17/1066277217.db2.gz NEBKIXZRUVXMOT-KRWDZBQOSA-N 0 0 456.589 4.901 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)o1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC001443170348 1066277329 /nfs/dbraw/zinc/27/73/29/1066277329.db2.gz XMKLWZIZKNEUMP-UHFFFAOYSA-N 0 0 455.352 4.897 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545955088 1066277434 /nfs/dbraw/zinc/27/74/34/1066277434.db2.gz OWVWKJAAABSIDX-FGZHOGPDSA-N 0 0 483.657 4.740 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361048396 1066277820 /nfs/dbraw/zinc/27/78/20/1066277820.db2.gz BGFJQLWBFRGFRJ-SFHVURJKSA-N 0 0 464.614 4.905 20 0 JJADRN Cc1cc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CC[C@@H](C)C2)c2ccccc2n1 ZINC001361048665 1066278466 /nfs/dbraw/zinc/27/84/66/1066278466.db2.gz FWPOIZJAEZLZBZ-MJGOQNOKSA-N 0 0 491.558 4.616 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCc2ncc(-c3ccccc3)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001443200838 1066279078 /nfs/dbraw/zinc/27/90/78/1066279078.db2.gz IRIUFKUMSLZSQL-XMSQKQJNSA-N 0 0 457.452 4.586 20 0 JJADRN Cc1cc(NC(=O)c2ccc(NCc3cnn(C)c3)cc2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443202355 1066279183 /nfs/dbraw/zinc/27/91/83/1066279183.db2.gz GJKRCKGMBUUPCA-UHFFFAOYSA-N 0 0 454.456 4.797 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCCCCO)n2C[C@@](C)(O)C2CCCCC2)c2ccccc2n1 ZINC001361048972 1066279526 /nfs/dbraw/zinc/27/95/26/1066279526.db2.gz OUIBLPSNYVPFPQ-HHHXNRCGSA-N 0 0 465.642 4.732 20 0 JJADRN O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ncsc1Br ZINC001443209154 1066279627 /nfs/dbraw/zinc/27/96/27/1066279627.db2.gz BXFJCTOOROXHHQ-UHFFFAOYSA-N 0 0 453.365 4.747 20 0 JJADRN CC(C)(C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1F ZINC001443208489 1066279677 /nfs/dbraw/zinc/27/96/77/1066279677.db2.gz UKIHTSPOPXTOKP-UHFFFAOYSA-N 0 0 459.537 4.849 20 0 JJADRN C/C=C\C[C@@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001454410107 1066280066 /nfs/dbraw/zinc/28/00/66/1066280066.db2.gz KFPOUCXOJDLNLU-LHRDXKRPSA-N 0 0 452.576 4.965 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001443210632 1066280409 /nfs/dbraw/zinc/28/04/09/1066280409.db2.gz SILGBBLVRNWWBP-INIZCTEOSA-N 0 0 450.530 4.716 20 0 JJADRN COc1ccc2cc(C(=O)N3CCN(Cc4ccc(Br)c(F)c4)CC3)ccc2c1 ZINC001546061190 1066280653 /nfs/dbraw/zinc/28/06/53/1066280653.db2.gz UNWYPKQXGJCMOG-UHFFFAOYSA-N 0 0 457.343 4.708 20 0 JJADRN C[C@@H](C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC001443213608 1066280989 /nfs/dbraw/zinc/28/09/89/1066280989.db2.gz IUHXRASFGSYRMZ-CYBMUJFWSA-N 0 0 453.370 4.680 20 0 JJADRN O=C(CNC(=O)c1ccccc1COCc1ccccc1)c1ccc(Br)c(F)c1 ZINC001454427440 1066281335 /nfs/dbraw/zinc/28/13/35/1066281335.db2.gz SICCGHKHXYZVJR-UHFFFAOYSA-N 0 0 456.311 4.918 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCOc1cccc2cccnc21 ZINC001443215306 1066281447 /nfs/dbraw/zinc/28/14/47/1066281447.db2.gz LNUZEZZDVGWXBU-NRFANRHFSA-N 0 0 455.599 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC001443216828 1066281501 /nfs/dbraw/zinc/28/15/01/1066281501.db2.gz PRQFITILLIXNLH-UHFFFAOYSA-N 0 0 451.354 4.744 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)NCCCOc1cccc2cccnc21 ZINC001443217625 1066281562 /nfs/dbraw/zinc/28/15/62/1066281562.db2.gz QUQLZNVTVCVLMZ-UHFFFAOYSA-N 0 0 455.352 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)C(C)(C)C1 ZINC001443216917 1066281572 /nfs/dbraw/zinc/28/15/72/1066281572.db2.gz OLHJEZDGQMOJQT-FQEVSTJZSA-N 0 0 456.514 4.877 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NCC(=O)c3ccc(Br)c(F)c3)c2C(C)C)cc1 ZINC001454427431 1066281543 /nfs/dbraw/zinc/28/15/43/1066281543.db2.gz SHFFJOVHZHCQMM-UHFFFAOYSA-N 0 0 458.331 4.818 20 0 JJADRN CCn1c(CCNC(=O)CCc2nc3cc(Br)ccc3s2)nc2ccccc21 ZINC001443221703 1066282199 /nfs/dbraw/zinc/28/21/99/1066282199.db2.gz AMEPZNNANFXXHJ-UHFFFAOYSA-N 0 0 457.397 4.720 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545955646 1066282219 /nfs/dbraw/zinc/28/22/19/1066282219.db2.gz YTQCXAUXOXUQCS-ZROJVYTPSA-N 0 0 497.684 4.842 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545955636 1066282302 /nfs/dbraw/zinc/28/23/02/1066282302.db2.gz YPBOVWKNIPYYIO-NXHRZFHOSA-N 0 0 452.521 4.854 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3cc(Cl)ccc3s2)C1 ZINC001546061690 1066282195 /nfs/dbraw/zinc/28/21/95/1066282195.db2.gz DQOLKAODUHUZRQ-IVZQSRNASA-N 0 0 464.035 4.940 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1cccc(F)c1I)c1nc2ccccc2[nH]1 ZINC001443228542 1066283000 /nfs/dbraw/zinc/28/30/00/1066283000.db2.gz YBQZHJHWZNNEPV-MRXNPFEDSA-N 0 0 451.283 4.824 20 0 JJADRN O=C(NCCc1c[nH]c2c1cccc2Cl)c1cc(Br)ncc1Br ZINC001454448515 1066283527 /nfs/dbraw/zinc/28/35/27/1066283527.db2.gz GFDSEHGEKPFEAR-UHFFFAOYSA-N 0 0 457.553 4.714 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCOCC(C)C)c2ccccc2n1 ZINC001361049874 1066283637 /nfs/dbraw/zinc/28/36/37/1066283637.db2.gz PZMGDXMROLMTST-JOCHJYFZSA-N 0 0 492.668 4.605 20 0 JJADRN COc1cccc(-c2c(C)[nH]nc2NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001454450814 1066283719 /nfs/dbraw/zinc/28/37/19/1066283719.db2.gz KIVYWBFASKEOPK-UHFFFAOYSA-N 0 0 453.852 4.902 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001443248057 1066284164 /nfs/dbraw/zinc/28/41/64/1066284164.db2.gz VAANLXLAUQAILS-KRWDZBQOSA-N 0 0 450.539 4.778 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001443250329 1066284324 /nfs/dbraw/zinc/28/43/24/1066284324.db2.gz GFXTVKZBKBLUDW-IBGZPJMESA-N 0 0 451.615 4.781 20 0 JJADRN Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050003 1066284486 /nfs/dbraw/zinc/28/44/86/1066284486.db2.gz RMVDUBOYIPLRPL-LJQANCHMSA-N 0 0 494.640 4.531 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Nc3nccs3)cc2F)c(C)c1 ZINC001443258424 1066285149 /nfs/dbraw/zinc/28/51/49/1066285149.db2.gz VZZXENSGRVNPSY-LJQANCHMSA-N 0 0 456.568 4.796 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)CC2)cc1 ZINC001454460788 1066285209 /nfs/dbraw/zinc/28/52/09/1066285209.db2.gz NQNVZMZVDODBEI-UHFFFAOYSA-N 0 0 457.574 4.620 20 0 JJADRN Cc1c(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC001443260639 1066285573 /nfs/dbraw/zinc/28/55/73/1066285573.db2.gz FDFUVOPFFRVZDE-UHFFFAOYSA-N 0 0 455.562 4.909 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001443258700 1066285768 /nfs/dbraw/zinc/28/57/68/1066285768.db2.gz ZFZKKNQOARVAPD-OAHLLOKOSA-N 0 0 452.363 4.759 20 0 JJADRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454464782 1066285988 /nfs/dbraw/zinc/28/59/88/1066285988.db2.gz FUHCWVYEBPDRDJ-UHFFFAOYSA-N 0 0 450.844 4.898 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC001361050904 1066285770 /nfs/dbraw/zinc/28/57/70/1066285770.db2.gz FUABSQHATUAWCE-RPBOFIJWSA-N 0 0 451.588 4.807 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCOc2c(C)cccc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051617 1066286506 /nfs/dbraw/zinc/28/65/06/1066286506.db2.gz WLAMVYUSABUVED-RUZDIDTESA-N 0 0 451.588 4.690 20 0 JJADRN COC[C@H](C)N(C(=O)CSc1nccn1-c1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC001454466171 1066286568 /nfs/dbraw/zinc/28/65/68/1066286568.db2.gz FBSQSMGYTXKLPQ-MBSDFSHPSA-N 0 0 451.592 4.524 20 0 JJADRN CCC(CC)(C(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(OC)c(OC)c1 ZINC001443262426 1066286560 /nfs/dbraw/zinc/28/65/60/1066286560.db2.gz BTJIOTVLWHSJDG-JOCHJYFZSA-N 0 0 459.590 4.892 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361052214 1066287211 /nfs/dbraw/zinc/28/72/11/1066287211.db2.gz MVLJRGMDPCBHJR-KBMIEXCESA-N 0 0 453.656 4.931 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001443264885 1066287188 /nfs/dbraw/zinc/28/71/88/1066287188.db2.gz GOEBTCYJOPSLFW-GOSISDBHSA-N 0 0 454.393 4.672 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)cc2c1 ZINC001454467010 1066287337 /nfs/dbraw/zinc/28/73/37/1066287337.db2.gz MZHNNZXGFQUJHO-BWAGFHJFSA-N 0 0 453.583 4.706 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361052403 1066287682 /nfs/dbraw/zinc/28/76/82/1066287682.db2.gz PQIHOWCESCHKFR-JGCGQSQUSA-N 0 0 471.696 4.681 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)/C=C/c1cccc(O)c1 ZINC001454471262 1066287870 /nfs/dbraw/zinc/28/78/70/1066287870.db2.gz ISKOBXJKFZPCFR-AATRIKPKSA-N 0 0 458.093 4.720 20 0 JJADRN Cc1cc(-c2nnc(Nc3ccn(C)n3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052821 1066288348 /nfs/dbraw/zinc/28/83/48/1066288348.db2.gz XPWIEPKRUQFGIB-KRWDZBQOSA-N 0 0 476.585 4.534 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)NC(C)C)no1 ZINC001361053173 1066288494 /nfs/dbraw/zinc/28/84/94/1066288494.db2.gz BEFQXGBROWWHSL-SFHVURJKSA-N 0 0 489.020 4.536 20 0 JJADRN O=C(N1CCc2cc(F)cc(Br)c2C1)C1(c2ccccc2Cl)CCOCC1 ZINC001454472980 1066288480 /nfs/dbraw/zinc/28/84/80/1066288480.db2.gz LDTZQUMXWRXRIU-UHFFFAOYSA-N 0 0 452.751 4.875 20 0 JJADRN COC[C@@H](C)N(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001454477692 1066290001 /nfs/dbraw/zinc/29/00/01/1066290001.db2.gz VCNJOFNPXYZDBA-LMNJBCLMSA-N 0 0 450.645 4.574 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(Br)cc2N)cc1 ZINC001443287000 1066289929 /nfs/dbraw/zinc/28/99/29/1066289929.db2.gz SWTLZDWIRILWLT-UHFFFAOYSA-N 0 0 455.352 4.891 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1I ZINC001361054586 1066290099 /nfs/dbraw/zinc/29/00/99/1066290099.db2.gz XDWSNXONDHEEBM-UHFFFAOYSA-N 0 0 451.304 4.736 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CCN2)c1 ZINC001454479567 1066290598 /nfs/dbraw/zinc/29/05/98/1066290598.db2.gz WKWNKNRJFBXIDL-VWNXMTODSA-N 0 0 454.929 4.781 20 0 JJADRN Cc1cccc2sc(C(=O)N3CCN(c4ccc(Br)cn4)CC3)c(Cl)c21 ZINC001443297213 1066291180 /nfs/dbraw/zinc/29/11/80/1066291180.db2.gz CJOYZFCVNKXBJE-UHFFFAOYSA-N 0 0 450.789 4.983 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)Oc1ccccc1F ZINC001545956765 1066291230 /nfs/dbraw/zinc/29/12/30/1066291230.db2.gz IUMCPBOYHMFUMG-YJBOKZPZSA-N 0 0 450.967 4.876 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1 ZINC001443293483 1066291361 /nfs/dbraw/zinc/29/13/61/1066291361.db2.gz NVGLYKIPJDETCN-UHFFFAOYSA-N 0 0 452.580 4.939 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@](C)(O)C(C)C)no1 ZINC001361054813 1066291323 /nfs/dbraw/zinc/29/13/23/1066291323.db2.gz HGUDLZHTVHLZHG-FQEVSTJZSA-N 0 0 482.810 4.701 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)nc2)no1 ZINC001361054889 1066291925 /nfs/dbraw/zinc/29/19/25/1066291925.db2.gz JQMNCQABRMOUNU-UHFFFAOYSA-N 0 0 459.598 4.685 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCOC(F)F)c1 ZINC001361054895 1066291955 /nfs/dbraw/zinc/29/19/55/1066291955.db2.gz JUSAYBXHLMFFHO-UHFFFAOYSA-N 0 0 468.346 4.620 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC001443300980 1066292394 /nfs/dbraw/zinc/29/23/94/1066292394.db2.gz CXZZZHQIYRLAOS-UHFFFAOYSA-N 0 0 457.987 4.525 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC001443303573 1066292468 /nfs/dbraw/zinc/29/24/68/1066292468.db2.gz OHBJUOUZWKLHID-ZJSXRUAMSA-N 0 0 456.652 4.570 20 0 JJADRN CCn1cc(C(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc21 ZINC001454495651 1066293221 /nfs/dbraw/zinc/29/32/21/1066293221.db2.gz PDQAKAQDJYFDQZ-FQEVSTJZSA-N 0 0 455.599 4.539 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CSCc2ccc(Br)cc2)C2CC2)n1 ZINC001361055193 1066293330 /nfs/dbraw/zinc/29/33/30/1066293330.db2.gz BIQGHGAAZFCZOO-UHFFFAOYSA-N 0 0 455.399 4.511 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ccc(-n3ccnc3)c(C)c2)cc1OCC ZINC001443309083 1066293568 /nfs/dbraw/zinc/29/35/68/1066293568.db2.gz FTGDVHDZOWNZDA-UHFFFAOYSA-N 0 0 458.356 4.922 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 ZINC001546062217 1066293743 /nfs/dbraw/zinc/29/37/43/1066293743.db2.gz MPXWMZYAFURYEF-WMZHIEFXSA-N 0 0 462.063 4.774 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)C2CC2)n1 ZINC001361055404 1066293750 /nfs/dbraw/zinc/29/37/50/1066293750.db2.gz HEKJBFRVFPBRTQ-AWEZNQCLSA-N 0 0 459.568 4.715 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3ccc(-n4ccnc4)c(C)c3)cc2)c(C)c1Br ZINC001443309469 1066293849 /nfs/dbraw/zinc/29/38/49/1066293849.db2.gz GVTSPOVHRLCSPH-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1-n1ccnc1 ZINC001443310795 1066293928 /nfs/dbraw/zinc/29/39/28/1066293928.db2.gz ILFJERFFEFICDR-FDDCHVKYSA-N 0 0 454.933 4.910 20 0 JJADRN CO[C@H]1C[C@@H](CNC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC001454506139 1066294412 /nfs/dbraw/zinc/29/44/12/1066294412.db2.gz UNMXWTKONQOJIQ-XFHMXUHZSA-N 0 0 453.391 4.879 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cc2)o1 ZINC001361056006 1066294937 /nfs/dbraw/zinc/29/49/37/1066294937.db2.gz YTVDLROFXMYWKW-UHFFFAOYSA-N 0 0 454.449 4.563 20 0 JJADRN CCN1c2ccc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)cc2OCC(C)(C)C1=O ZINC001454514006 1066295117 /nfs/dbraw/zinc/29/51/17/1066295117.db2.gz QSZJSPOTDXGTOK-XMMPIXPASA-N 0 0 455.942 4.633 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001454524489 1066295779 /nfs/dbraw/zinc/29/57/79/1066295779.db2.gz PNFGLUKERBRRSR-LEWJYISDSA-N 0 0 467.566 4.589 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361056269 1066295788 /nfs/dbraw/zinc/29/57/88/1066295788.db2.gz JYMBOTHRGIAKSG-HXUWFJFHSA-N 0 0 464.614 4.788 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545957089 1066295942 /nfs/dbraw/zinc/29/59/42/1066295942.db2.gz OUUSHACFYIOWFI-YJBOKZPZSA-N 0 0 478.435 5.000 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001361056599 1066296907 /nfs/dbraw/zinc/29/69/07/1066296907.db2.gz VZHNWBYOWOPDCM-UHFFFAOYSA-N 0 0 478.597 4.754 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443341959 1066296941 /nfs/dbraw/zinc/29/69/41/1066296941.db2.gz ZZYXUVLTTDVGEL-DNVCBOLYSA-N 0 0 451.633 4.610 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443341962 1066297281 /nfs/dbraw/zinc/29/72/81/1066297281.db2.gz ZZYXUVLTTDVGEL-KXBFYZLASA-N 0 0 451.633 4.610 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC001454540699 1066297948 /nfs/dbraw/zinc/29/79/48/1066297948.db2.gz WYSHJWYUKHJWHE-NRFANRHFSA-N 0 0 459.999 4.563 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545957262 1066297811 /nfs/dbraw/zinc/29/78/11/1066297811.db2.gz SJNWSQYGYGACCN-PMACEKPBSA-N 0 0 494.640 4.578 20 0 JJADRN CC[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001545957291 1066297911 /nfs/dbraw/zinc/29/79/11/1066297911.db2.gz SRZOKELFJBFAGM-JKSUJKDBSA-N 0 0 497.086 4.642 20 0 JJADRN CCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c2ccccc21 ZINC001443349152 1066297950 /nfs/dbraw/zinc/29/79/50/1066297950.db2.gz CXOWMUPWKVZXND-UHFFFAOYSA-N 0 0 455.967 4.628 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545957265 1066297987 /nfs/dbraw/zinc/29/79/87/1066297987.db2.gz SJNWSQYGYGACCN-WOJBJXKFSA-N 0 0 494.640 4.578 20 0 JJADRN CCc1nsc(N2CCN(C(=O)c3cccc(CSc4cc(C)ccc4C)c3)CC2)n1 ZINC001361057581 1066297961 /nfs/dbraw/zinc/29/79/61/1066297961.db2.gz PLGVMXDMBILDFX-UHFFFAOYSA-N 0 0 452.649 4.972 20 0 JJADRN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1nscc1I ZINC001454539656 1066298023 /nfs/dbraw/zinc/29/80/23/1066298023.db2.gz MSAPKIFPVBCRJO-ZDUSSCGKSA-N 0 0 457.724 4.690 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccccc2SCc2cccs2)c1 ZINC001361058722 1066298338 /nfs/dbraw/zinc/29/83/38/1066298338.db2.gz NRYBXMFHDSSNKT-UHFFFAOYSA-N 0 0 450.582 4.682 20 0 JJADRN CCON(C(=O)CCCNC(=O)NC1CCCCC1)[C@H](C)c1cccc(Br)c1 ZINC001454541886 1066298648 /nfs/dbraw/zinc/29/86/48/1066298648.db2.gz NSGNDIUQTBGQEP-MRXNPFEDSA-N 0 0 454.409 4.702 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccc(Cn2ccnn2)cc1)C(F)(F)F ZINC001361059309 1066298839 /nfs/dbraw/zinc/29/88/39/1066298839.db2.gz HGJFVNSOVWLREO-NRFANRHFSA-N 0 0 455.440 4.589 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2ccccc2OCCOc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001454547222 1066299152 /nfs/dbraw/zinc/29/91/52/1066299152.db2.gz HQBYYQSTERFYBG-WOJBJXKFSA-N 0 0 454.567 4.662 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)c3ccccc3n2)c(C)c1 ZINC001361059068 1066299025 /nfs/dbraw/zinc/29/90/25/1066299025.db2.gz ZBXQZTYTQPFJBM-DQEYMECFSA-N 0 0 450.604 4.946 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)n2)cc1 ZINC001443353374 1066299291 /nfs/dbraw/zinc/29/92/91/1066299291.db2.gz GOBPLSQOCLZZQL-UHFFFAOYSA-N 0 0 456.524 4.639 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361059774 1066299534 /nfs/dbraw/zinc/29/95/34/1066299534.db2.gz FJQPFSFYDYNECZ-ZCUZBQTDSA-N 0 0 497.684 4.889 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(F)(F)F)c1 ZINC001361059854 1066299545 /nfs/dbraw/zinc/29/95/45/1066299545.db2.gz HCAFHKDWHBBLCH-GOSISDBHSA-N 0 0 467.536 4.900 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccnc(OCC(F)F)c1)C(F)(F)F ZINC001361059876 1066299640 /nfs/dbraw/zinc/29/96/40/1066299640.db2.gz PCSYXQZUACFYFL-LJQANCHMSA-N 0 0 455.383 4.988 20 0 JJADRN C[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CN1C(=O)OC(C)(C)C ZINC001454547919 1066299889 /nfs/dbraw/zinc/29/98/89/1066299889.db2.gz JZHMDOQPYONUGZ-OXJNMPFZSA-N 0 0 451.567 4.706 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)n2)cc1 ZINC001454550788 1066300285 /nfs/dbraw/zinc/30/02/85/1066300285.db2.gz WKWNHWYGWRWCDM-RBUKOAKNSA-N 0 0 454.615 4.996 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361060846 1066300539 /nfs/dbraw/zinc/30/05/39/1066300539.db2.gz XFIXZPRLCKWCTC-AMGIVPHBSA-N 0 0 485.673 4.744 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNC(=O)C2CCC2)C1 ZINC001546062448 1066300825 /nfs/dbraw/zinc/30/08/25/1066300825.db2.gz QQDYKHQJCOAICK-ZBLYBZFDSA-N 0 0 467.658 4.968 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCC(Cc4nccs4)CC3)cc2)c(C)c1Br ZINC001454556167 1066300886 /nfs/dbraw/zinc/30/08/86/1066300886.db2.gz QDWBXGPWOCUJQK-UHFFFAOYSA-N 0 0 459.413 4.803 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545957381 1066300826 /nfs/dbraw/zinc/30/08/26/1066300826.db2.gz UWOOVTWETFFUIZ-UXHICEINSA-N 0 0 494.640 4.578 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001454564860 1066301208 /nfs/dbraw/zinc/30/12/08/1066301208.db2.gz LXMCSZRUOQUQRS-FUHWJXTLSA-N 0 0 456.002 4.751 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)c1 ZINC001361061522 1066301210 /nfs/dbraw/zinc/30/12/10/1066301210.db2.gz NMNCTOUPGRYTMJ-FQEVSTJZSA-N 0 0 491.583 4.577 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(C)C)c1 ZINC001361061111 1066301225 /nfs/dbraw/zinc/30/12/25/1066301225.db2.gz DOIWSQFPILYHIW-JOCHJYFZSA-N 0 0 471.646 4.968 20 0 JJADRN O=Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)c2)c1 ZINC001454564839 1066301374 /nfs/dbraw/zinc/30/13/74/1066301374.db2.gz LQHRPEZEJSKFEI-NRFANRHFSA-N 0 0 452.913 4.879 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC001443359050 1066301498 /nfs/dbraw/zinc/30/14/98/1066301498.db2.gz NRCRURRWLMOWMC-UHFFFAOYSA-N 0 0 451.914 4.770 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC001454571098 1066301832 /nfs/dbraw/zinc/30/18/32/1066301832.db2.gz AXDNAUAEOQSZKX-HDJSIYSDSA-N 0 0 450.377 4.744 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC001443363285 1066301667 /nfs/dbraw/zinc/30/16/67/1066301667.db2.gz MQBQGTURVJNAEO-UHFFFAOYSA-N 0 0 456.546 4.579 20 0 JJADRN Cc1cccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2cccnc2)c1 ZINC001361061793 1066301740 /nfs/dbraw/zinc/30/17/40/1066301740.db2.gz VIDFCTIGTMOKEM-UHFFFAOYSA-N 0 0 490.652 4.975 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)n[nH]2)cc1 ZINC001443361539 1066301898 /nfs/dbraw/zinc/30/18/98/1066301898.db2.gz XGMNDJHZHHRYAQ-UHFFFAOYSA-N 0 0 458.543 4.868 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C)c2)c(C)o1 ZINC001361064163 1066303155 /nfs/dbraw/zinc/30/31/55/1066303155.db2.gz XWRJFWNNGMERCU-RUZDIDTESA-N 0 0 465.623 4.696 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)C2=O)cc1 ZINC001546063321 1066303503 /nfs/dbraw/zinc/30/35/03/1066303503.db2.gz NKWFCQSVTDSDKR-JOCHJYFZSA-N 0 0 459.512 4.531 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)C2=O)cc1 ZINC001443380272 1066303644 /nfs/dbraw/zinc/30/36/44/1066303644.db2.gz QYJPBGWAGZQTTA-XMMPIXPASA-N 0 0 457.530 4.693 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC001361064580 1066303629 /nfs/dbraw/zinc/30/36/29/1066303629.db2.gz KFLOFXCSENCRMI-QPPBQGQZSA-N 0 0 481.666 4.666 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC001361064581 1066303722 /nfs/dbraw/zinc/30/37/22/1066303722.db2.gz KFLOFXCSENCRMI-URXFXBBRSA-N 0 0 481.666 4.666 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361064437 1066303852 /nfs/dbraw/zinc/30/38/52/1066303852.db2.gz DSVCMIQARRUYBL-RDPSFJRHSA-N 0 0 467.614 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3ccccc3Cl)nc2)CC(C)(C)C1 ZINC001454576021 1066303763 /nfs/dbraw/zinc/30/37/63/1066303763.db2.gz GLWGHYNDMBNMEB-QGZVFWFLSA-N 0 0 458.990 4.953 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC1(c3ccccc3Cl)CCOCC1)O2 ZINC001443381941 1066303858 /nfs/dbraw/zinc/30/38/58/1066303858.db2.gz HHCJYUWVBNULJT-VWLOTQADSA-N 0 0 457.998 4.919 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)cc2c1 ZINC001443386686 1066304303 /nfs/dbraw/zinc/30/43/03/1066304303.db2.gz ACWIKEOETKEUTA-GOSISDBHSA-N 0 0 451.548 4.784 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC001454578635 1066304309 /nfs/dbraw/zinc/30/43/09/1066304309.db2.gz LKDZVLLLNHOXSO-GOSISDBHSA-N 0 0 458.578 4.729 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cc1C ZINC001443388742 1066304498 /nfs/dbraw/zinc/30/44/98/1066304498.db2.gz NUJZSKVVTFNXDL-FQEVSTJZSA-N 0 0 455.555 4.835 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccccc1Cl ZINC001361065367 1066304661 /nfs/dbraw/zinc/30/46/61/1066304661.db2.gz QCRJMZXIZFSRPW-JOCHJYFZSA-N 0 0 454.885 4.964 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001443389000 1066304745 /nfs/dbraw/zinc/30/47/45/1066304745.db2.gz GQVXUDWDIVUARS-AEFFLSMTSA-N 0 0 458.183 4.575 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001443389063 1066304767 /nfs/dbraw/zinc/30/47/67/1066304767.db2.gz GQVXUDWDIVUARS-WMZOPIPTSA-N 0 0 458.183 4.575 20 0 JJADRN COc1ccc(CCCCC(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)cc1OC ZINC001443386842 1066304897 /nfs/dbraw/zinc/30/48/97/1066304897.db2.gz OBUGNYMWZDMAQB-UHFFFAOYSA-N 0 0 450.583 4.918 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1Cl ZINC001361065159 1066304896 /nfs/dbraw/zinc/30/48/96/1066304896.db2.gz HMTKEFJZVGIKHZ-HXUWFJFHSA-N 0 0 457.361 4.912 20 0 JJADRN Cc1cc(I)cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC001361066013 1066305370 /nfs/dbraw/zinc/30/53/70/1066305370.db2.gz PCKYHHZKDHLZQV-UHFFFAOYSA-N 0 0 456.327 4.880 20 0 JJADRN COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC001443391978 1066305484 /nfs/dbraw/zinc/30/54/84/1066305484.db2.gz SRIZSKBFNMEXGK-WXQAMHPUSA-N 0 0 452.982 4.718 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454589680 1066305581 /nfs/dbraw/zinc/30/55/81/1066305581.db2.gz RORNKZQBVBCVIA-IUODEOHRSA-N 0 0 455.502 4.957 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c(O)c1 ZINC001443404007 1066305966 /nfs/dbraw/zinc/30/59/66/1066305966.db2.gz CSKRYIKBZOHQQW-UHFFFAOYSA-N 0 0 454.523 4.710 20 0 JJADRN CCCC[C@@H](O)CCC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454592573 1066306161 /nfs/dbraw/zinc/30/61/61/1066306161.db2.gz FOUJNWMCPJRUEZ-IAGOWNOFSA-N 0 0 454.405 4.942 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)c2)c(C)c1 ZINC001361066589 1066306239 /nfs/dbraw/zinc/30/62/39/1066306239.db2.gz ZLMJNYANAKKFEX-UHFFFAOYSA-N 0 0 454.486 4.604 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc3cccn3cn2)c2ccc(Br)cc21 ZINC001454593497 1066306808 /nfs/dbraw/zinc/30/68/08/1066306808.db2.gz HWHQPXFHKPJOMX-MRXNPFEDSA-N 0 0 456.340 4.573 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1[nH]nc2cnc(Br)cc21 ZINC001454594362 1066307109 /nfs/dbraw/zinc/30/71/09/1066307109.db2.gz MQCIBAUOSIZPTH-UHFFFAOYSA-N 0 0 452.312 4.720 20 0 JJADRN O=C(NCCCCNc1ccccn1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001443407224 1066307176 /nfs/dbraw/zinc/30/71/76/1066307176.db2.gz LLWGGEXVTAURGN-SQHAQQRYSA-N 0 0 456.590 4.570 20 0 JJADRN C[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001443407657 1066307354 /nfs/dbraw/zinc/30/73/54/1066307354.db2.gz MMYXNWWSNZHVLI-QGZVFWFLSA-N 0 0 454.617 4.723 20 0 JJADRN Cn1cc(Cl)cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454595587 1066307575 /nfs/dbraw/zinc/30/75/75/1066307575.db2.gz QUQHPOBIJXGRRQ-CQSZACIVSA-N 0 0 453.764 4.917 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)COCc2ccccc2)no1 ZINC001361066959 1066307430 /nfs/dbraw/zinc/30/74/30/1066307430.db2.gz ZFIQKDMJFXFYQN-CTUHWIOQSA-N 0 0 481.641 4.982 20 0 JJADRN Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001492597821 1066307467 /nfs/dbraw/zinc/30/74/67/1066307467.db2.gz CBIXPRRQSHOMIS-UHFFFAOYSA-N 0 0 475.584 4.600 20 0 JJADRN O=C(Cc1ccc(O)c(Cl)c1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454597897 1066307620 /nfs/dbraw/zinc/30/76/20/1066307620.db2.gz BOWQYRPPBDXRIN-UHFFFAOYSA-N 0 0 450.966 4.512 20 0 JJADRN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3cc(OCC(C)(C)F)ccc3C2)cs1 ZINC001361067206 1066307792 /nfs/dbraw/zinc/30/77/92/1066307792.db2.gz JBICIVAOFXKHDJ-UHFFFAOYSA-N 0 0 485.629 4.524 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001361068297 1066308328 /nfs/dbraw/zinc/30/83/28/1066308328.db2.gz CJXLMCYKPOPMSR-KKSFZXQISA-N 0 0 452.954 4.955 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001361068290 1066308503 /nfs/dbraw/zinc/30/85/03/1066308503.db2.gz CJXLMCYKPOPMSR-HRAATJIYSA-N 0 0 452.954 4.955 20 0 JJADRN O=C(c1ccnc(C(F)(F)F)c1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600420 1066308465 /nfs/dbraw/zinc/30/84/65/1066308465.db2.gz OCKFWDUZVYMCML-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545958319 1066308630 /nfs/dbraw/zinc/30/86/30/1066308630.db2.gz AWMIECVYTYTSGW-LMMKCTJWSA-N 0 0 477.556 4.839 20 0 JJADRN CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001361069491 1066308970 /nfs/dbraw/zinc/30/89/70/1066308970.db2.gz UIWBDFKASOSRAC-ZRBLBEILSA-N 0 0 450.570 4.899 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546063769 1066309712 /nfs/dbraw/zinc/30/97/12/1066309712.db2.gz BZCVWPVLFSABTJ-RUZDIDTESA-N 0 0 457.619 4.837 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)cs1 ZINC001361070493 1066309890 /nfs/dbraw/zinc/30/98/90/1066309890.db2.gz NQVNAQQNOKSYDT-MRXNPFEDSA-N 0 0 476.046 4.841 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001454609661 1066309801 /nfs/dbraw/zinc/30/98/01/1066309801.db2.gz PUNALFXWSQPSTE-MRXNPFEDSA-N 0 0 458.580 4.944 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546063770 1066309935 /nfs/dbraw/zinc/30/99/35/1066309935.db2.gz BZCVWPVLFSABTJ-VWLOTQADSA-N 0 0 457.619 4.837 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccsc1)OC ZINC001545958411 1066309858 /nfs/dbraw/zinc/30/98/58/1066309858.db2.gz CFQKGJXMWKLYRJ-RDJZCZTQSA-N 0 0 450.406 4.864 20 0 JJADRN CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccc(F)cc1 ZINC001454623922 1066310251 /nfs/dbraw/zinc/31/02/51/1066310251.db2.gz JRQLQQYLPIFVIA-RUZDIDTESA-N 0 0 454.567 4.668 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)no1 ZINC001361070852 1066310575 /nfs/dbraw/zinc/31/05/75/1066310575.db2.gz WOHCZYLFWWLGGU-AWEZNQCLSA-N 0 0 470.293 4.831 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2c(C)noc2C)no1 ZINC001361070866 1066310591 /nfs/dbraw/zinc/31/05/91/1066310591.db2.gz WXBADPJAZAXFCT-MRXNPFEDSA-N 0 0 456.934 4.657 20 0 JJADRN COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001454626467 1066310773 /nfs/dbraw/zinc/31/07/73/1066310773.db2.gz HXIFXMXAFGEFOB-JOCHJYFZSA-N 0 0 458.382 4.553 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001454626351 1066310792 /nfs/dbraw/zinc/31/07/92/1066310792.db2.gz OBCPDQJACSAZCS-FCDQGJHFSA-N 0 0 450.579 4.966 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1cccn1-c1c(Cl)cccc1Cl ZINC001454625415 1066310944 /nfs/dbraw/zinc/31/09/44/1066310944.db2.gz HHGBQCVFWBIKHY-UHFFFAOYSA-N 0 0 458.389 4.936 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(CC(F)(F)F)CC2)no1 ZINC001361070934 1066311066 /nfs/dbraw/zinc/31/10/66/1066311066.db2.gz YUOLBZYDNCJIEH-UHFFFAOYSA-N 0 0 487.324 4.560 20 0 JJADRN CN1CCN([C@H](CNC(=O)c2cccnc2SCC2CCCCC2)c2cccs2)CC1 ZINC001443436582 1066311191 /nfs/dbraw/zinc/31/11/91/1066311191.db2.gz VDWGINRVAYNGMA-OAQYLSRUSA-N 0 0 458.697 4.534 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001545958559 1066311447 /nfs/dbraw/zinc/31/14/47/1066311447.db2.gz GLEAOHHYAYMJJI-HOKUHMFPSA-N 0 0 493.450 4.860 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCO2)ccc1F ZINC001361071266 1066311336 /nfs/dbraw/zinc/31/13/36/1066311336.db2.gz HOMYOEPPPYJDPP-OAHLLOKOSA-N 0 0 465.392 4.880 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(OC(C)(C)C)CC2)cs1 ZINC001361071389 1066311556 /nfs/dbraw/zinc/31/15/56/1066311556.db2.gz IALDFZDHSGFMEK-UHFFFAOYSA-N 0 0 488.679 4.551 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)N1CCO[C@@H](CC)C1 ZINC001454629064 1066311802 /nfs/dbraw/zinc/31/18/02/1066311802.db2.gz RJTCLPZRJATTDI-OALUTQOASA-N 0 0 450.505 4.596 20 0 JJADRN O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)[C@H]1COc2ccc(Br)cc21 ZINC001454632530 1066312531 /nfs/dbraw/zinc/31/25/31/1066312531.db2.gz LGTWJXPPYRWDIO-HNNXBMFYSA-N 0 0 453.258 4.784 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001454633446 1066312656 /nfs/dbraw/zinc/31/26/56/1066312656.db2.gz PKGYMEYKUCXWIA-FUHWJXTLSA-N 0 0 453.505 4.881 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCC(C4N=NC(=S)N4C(C)C)CC3)cc2)c(C)c1Cl ZINC001443448605 1066312928 /nfs/dbraw/zinc/31/29/28/1066312928.db2.gz KHXKAOYYAJXCEI-UHFFFAOYSA-N 0 0 459.019 4.623 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001361072331 1066313014 /nfs/dbraw/zinc/31/30/14/1066313014.db2.gz YUBGTDBRWZTHLS-CYBMUJFWSA-N 0 0 458.152 4.958 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC[C@@H]2CCOC2)C1 ZINC001546063981 1066312991 /nfs/dbraw/zinc/31/29/91/1066312991.db2.gz HDBUSWVJTDLOCL-MBSDFSHPSA-N 0 0 477.447 4.777 20 0 JJADRN COC(=O)[C@@H](CNC(=O)COc1ccc(Cl)cc1C1CCCCC1)Cc1ccc(O)cc1 ZINC001443452854 1066313505 /nfs/dbraw/zinc/31/35/05/1066313505.db2.gz BJSJKNQQEKJQFW-LJQANCHMSA-N 0 0 459.970 4.620 20 0 JJADRN O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCNC(=O)[C@H]1c1cccs1 ZINC001361072892 1066313466 /nfs/dbraw/zinc/31/34/66/1066313466.db2.gz ULDAZVULGHOZHN-QGZVFWFLSA-N 0 0 452.479 4.689 20 0 JJADRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1COc2ccc(Br)cc21 ZINC001361072621 1066313578 /nfs/dbraw/zinc/31/35/78/1066313578.db2.gz JFXODVBFOBQEGY-CQSZACIVSA-N 0 0 450.745 4.660 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CC(O)(c4cccc(Br)c4)C3)c(F)c2)cc1 ZINC001454644930 1066313645 /nfs/dbraw/zinc/31/36/45/1066313645.db2.gz BGLFAXZQLSJRAE-UHFFFAOYSA-N 0 0 456.311 4.607 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c2ccccc12 ZINC001454636265 1066313686 /nfs/dbraw/zinc/31/36/86/1066313686.db2.gz YIARCSUHWGOPPS-UHFFFAOYSA-N 0 0 451.276 4.895 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2ncc(Cl)cc2Cl)cc1 ZINC001443457592 1066314009 /nfs/dbraw/zinc/31/40/09/1066314009.db2.gz XQBMTZFIWFFGEE-UHFFFAOYSA-N 0 0 458.345 4.646 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCc2cnccn2)cs1 ZINC001361073326 1066314271 /nfs/dbraw/zinc/31/42/71/1066314271.db2.gz HPQWARYBZYJRDV-UHFFFAOYSA-N 0 0 487.402 4.734 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)c3cc(C(C)C)n(-c4ccccc4)n3)c2)cn1 ZINC001361073178 1066314287 /nfs/dbraw/zinc/31/42/87/1066314287.db2.gz AVBFZMAKQIBQOV-UHFFFAOYSA-N 0 0 455.518 4.904 20 0 JJADRN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443461905 1066314545 /nfs/dbraw/zinc/31/45/45/1066314545.db2.gz KGILDNHCOVCRKP-SANMLTNESA-N 0 0 452.514 4.536 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1)OC ZINC001545959429 1066314792 /nfs/dbraw/zinc/31/47/92/1066314792.db2.gz VRQDIXXAIBKBIW-IFMALSPDSA-N 0 0 463.022 4.578 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c2ccccc21 ZINC001454651285 1066314907 /nfs/dbraw/zinc/31/49/07/1066314907.db2.gz RNETZQPUFLTVGH-RXVVDRJESA-N 0 0 477.424 4.504 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361074093 1066315212 /nfs/dbraw/zinc/31/52/12/1066315212.db2.gz XDEKBSPTBPXHEC-QGZVFWFLSA-N 0 0 457.575 4.606 20 0 JJADRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC001454652100 1066315037 /nfs/dbraw/zinc/31/50/37/1066315037.db2.gz VZUHIURROJAKNC-IBGZPJMESA-N 0 0 458.274 4.514 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001545959460 1066315069 /nfs/dbraw/zinc/31/50/69/1066315069.db2.gz WHGOPIUGCQOTBB-TYPHKJRUSA-N 0 0 490.048 4.907 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001361074047 1066315260 /nfs/dbraw/zinc/31/52/60/1066315260.db2.gz VIPKPXMZCPTVGD-MRXNPFEDSA-N 0 0 489.045 4.763 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3Br)nnc2N(C)CCc2cccs2)no1 ZINC001361074249 1066315409 /nfs/dbraw/zinc/31/54/09/1066315409.db2.gz ZKRVOLPZPSNLRY-UHFFFAOYSA-N 0 0 458.385 4.793 20 0 JJADRN CCc1cnc(CCNC(=O)c2cc(I)c(Cl)cc2Cl)s1 ZINC001361075389 1066316208 /nfs/dbraw/zinc/31/62/08/1066316208.db2.gz HDZLKDRCMSAGIF-UHFFFAOYSA-N 0 0 455.148 4.589 20 0 JJADRN O=C([C@H]1CCc2ccccc2O1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443481077 1066316333 /nfs/dbraw/zinc/31/63/33/1066316333.db2.gz QTIOWXKHNNUHPK-JOCHJYFZSA-N 0 0 455.327 4.906 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C)OC ZINC001545959109 1066316863 /nfs/dbraw/zinc/31/68/63/1066316863.db2.gz PQUNHNCXPVIOMO-GZBFAFLISA-N 0 0 457.413 4.602 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001454657408 1066316724 /nfs/dbraw/zinc/31/67/24/1066316724.db2.gz WBGYKHVTFLJWAS-AGHHOFFYSA-N 0 0 455.396 4.848 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC001454657008 1066316839 /nfs/dbraw/zinc/31/68/39/1066316839.db2.gz DHXZDYAAPNAALH-XLIONFOSSA-N 0 0 453.384 4.776 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)cs1 ZINC001361077465 1066317117 /nfs/dbraw/zinc/31/71/17/1066317117.db2.gz QQNXRSVJMGCZBJ-IEBWSBKVSA-N 0 0 477.700 4.753 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCSC[C@@H]2C)cs1 ZINC001361077591 1066317136 /nfs/dbraw/zinc/31/71/36/1066317136.db2.gz UPVGEZRIKKVYAO-INIZCTEOSA-N 0 0 477.700 4.753 20 0 JJADRN Cc1ccc(C)c2sc(NC(=O)c3cnn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)nc21 ZINC001443489069 1066317313 /nfs/dbraw/zinc/31/73/13/1066317313.db2.gz DBHJBSUZRVVECR-KRWDZBQOSA-N 0 0 455.584 4.934 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959195 1066317414 /nfs/dbraw/zinc/31/74/14/1066317414.db2.gz RIZDOBXVKOXPRU-RBUKOAKNSA-N 0 0 478.037 4.763 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CCc1ccccc1N1CCOCC1 ZINC001454663585 1066317930 /nfs/dbraw/zinc/31/79/30/1066317930.db2.gz YHKIVFOAPVZMGN-GHTZIAJQSA-N 0 0 457.412 4.623 20 0 JJADRN Cc1cc(Cn2c(CC(C)C)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361078451 1066318039 /nfs/dbraw/zinc/31/80/39/1066318039.db2.gz UHKGTROWAYLIKB-AZUAARDMSA-N 0 0 459.610 4.712 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC001443493289 1066318219 /nfs/dbraw/zinc/31/82/19/1066318219.db2.gz LOXFRFGWGBTOTC-UHFFFAOYSA-N 0 0 451.958 4.785 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC001361079555 1066318508 /nfs/dbraw/zinc/31/85/08/1066318508.db2.gz HFXAZPOHFPGXDP-IIBYNOLFSA-N 0 0 477.895 4.530 20 0 JJADRN COc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1OC ZINC001361079551 1066318582 /nfs/dbraw/zinc/31/85/82/1066318582.db2.gz HEFNSCSWHKOSJQ-UHFFFAOYSA-N 0 0 456.292 4.938 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NCc2cc(Cl)ccc2OC(F)F)s1 ZINC001361079995 1066318712 /nfs/dbraw/zinc/31/87/12/1066318712.db2.gz TWBLZICSPTVERS-HNNXBMFYSA-N 0 0 452.914 4.540 20 0 JJADRN O=C(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cncc(Br)c1 ZINC001454675005 1066318768 /nfs/dbraw/zinc/31/87/68/1066318768.db2.gz VQXOEZOEYOVBLH-UHFFFAOYSA-N 0 0 451.729 4.854 20 0 JJADRN Cc1cc(Cn2c(Cc3cccnc3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cs1 ZINC001361080460 1066319093 /nfs/dbraw/zinc/31/90/93/1066319093.db2.gz KHCSQWNDRKDETC-UHFFFAOYSA-N 0 0 496.681 4.765 20 0 JJADRN Cc1cc(Cn2c(CC3CC3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080936 1066319640 /nfs/dbraw/zinc/31/96/40/1066319640.db2.gz DNQHDHOYUVIKCG-PXNSSMCTSA-N 0 0 459.660 4.778 20 0 JJADRN Cc1cc(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cs1 ZINC001361081230 1066320272 /nfs/dbraw/zinc/32/02/72/1066320272.db2.gz KRPWZSVFVAJMEL-HXUWFJFHSA-N 0 0 480.556 4.866 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCc2cccs2)ccc1F ZINC001361081671 1066320777 /nfs/dbraw/zinc/32/07/77/1066320777.db2.gz SIODYPLCVDEXLO-UHFFFAOYSA-N 0 0 469.611 4.506 20 0 JJADRN Cc1nc(C)c(-c2csc(NC(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)n2)s1 ZINC001443507968 1066320813 /nfs/dbraw/zinc/32/08/13/1066320813.db2.gz JLWNSGKEQXTDRR-BXUZGUMPSA-N 0 0 452.602 4.582 20 0 JJADRN O=C(CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(Cl)c1Cl ZINC001454695532 1066320852 /nfs/dbraw/zinc/32/08/52/1066320852.db2.gz KOAQJNWOUPNGPR-UHFFFAOYSA-N 0 0 459.329 4.535 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC001454695794 1066320930 /nfs/dbraw/zinc/32/09/30/1066320930.db2.gz GNGZEVOPRMBZBH-LJQANCHMSA-N 0 0 451.350 4.633 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2)s1 ZINC001361082257 1066321219 /nfs/dbraw/zinc/32/12/19/1066321219.db2.gz ACUWKAOMVJMULW-UHFFFAOYSA-N 0 0 455.377 4.946 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001361082652 1066321504 /nfs/dbraw/zinc/32/15/04/1066321504.db2.gz IFRPAHRJJUECLX-ORAYPTAESA-N 0 0 455.769 4.835 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@]13CCC[C@@H]1N(C(=O)OC(C)(C)C)CC3)C2 ZINC001454695876 1066321751 /nfs/dbraw/zinc/32/17/51/1066321751.db2.gz YSFLJLRGSWATPO-WMZHIEFXSA-N 0 0 463.416 4.822 20 0 JJADRN C[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)Oc1cccc(Cl)c1 ZINC001361083244 1066321804 /nfs/dbraw/zinc/32/18/04/1066321804.db2.gz SMXNYNZZVCFCCF-FOIQADDNSA-N 0 0 450.938 4.671 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001546064597 1066322035 /nfs/dbraw/zinc/32/20/35/1066322035.db2.gz SJHROZCPKKWPIM-AUSIDOKSSA-N 0 0 467.992 4.581 20 0 JJADRN CCOCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCc2ccccc21 ZINC001454704977 1066322496 /nfs/dbraw/zinc/32/24/96/1066322496.db2.gz CEBQFWRVCCQXNY-IBGZPJMESA-N 0 0 456.995 4.837 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)(C)C(F)(F)F)CC2)no1 ZINC001361084014 1066322598 /nfs/dbraw/zinc/32/25/98/1066322598.db2.gz IVEKEUJTTNEXKK-UHFFFAOYSA-N 0 0 482.938 4.806 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC001454704947 1066322623 /nfs/dbraw/zinc/32/26/23/1066322623.db2.gz BWEWHGNFUCIXQS-VIUCBLSHSA-N 0 0 450.579 4.622 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001454705980 1066322686 /nfs/dbraw/zinc/32/26/86/1066322686.db2.gz FBUGHRCZGCIJJP-WRTQPQOASA-N 0 0 471.598 4.509 20 0 JJADRN Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)cs1 ZINC001361084494 1066323241 /nfs/dbraw/zinc/32/32/41/1066323241.db2.gz TXLSCYVYGDHHNV-UHFFFAOYSA-N 0 0 476.071 4.734 20 0 JJADRN Cc1cc(Cn2c(N(CCC(F)(F)F)CC3CC3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001361084477 1066323392 /nfs/dbraw/zinc/32/33/92/1066323392.db2.gz SWBKWDJLTMNEGC-OAQYLSRUSA-N 0 0 472.577 4.906 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)[C@@H](C)O1 ZINC001454708183 1066323567 /nfs/dbraw/zinc/32/35/67/1066323567.db2.gz SQYMCOIIVQEVMJ-HZCFWTAGSA-N 0 0 450.579 4.622 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 ZINC001454709115 1066323590 /nfs/dbraw/zinc/32/35/90/1066323590.db2.gz PDDRZMJWVZFADN-DLBZAZTESA-N 0 0 453.530 4.975 20 0 JJADRN CSc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccc(F)c(F)c2)c1 ZINC001361085044 1066323699 /nfs/dbraw/zinc/32/36/99/1066323699.db2.gz FATVEKQNZPTOOG-HOYKHHGWSA-N 0 0 452.526 4.945 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)[C@H](C)O1 ZINC001454708187 1066323709 /nfs/dbraw/zinc/32/37/09/1066323709.db2.gz SQYMCOIIVQEVMJ-UOIPHLHCSA-N 0 0 450.579 4.622 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 ZINC001454709116 1066323844 /nfs/dbraw/zinc/32/38/44/1066323844.db2.gz PDDRZMJWVZFADN-IAGOWNOFSA-N 0 0 453.530 4.975 20 0 JJADRN CSc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccc(F)c(F)c2)c1 ZINC001361085046 1066323853 /nfs/dbraw/zinc/32/38/53/1066323853.db2.gz FATVEKQNZPTOOG-MHECFPHRSA-N 0 0 452.526 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccn3cc(C(F)(F)F)nc23)cc1 ZINC001454710004 1066324070 /nfs/dbraw/zinc/32/40/70/1066324070.db2.gz RKZOPEXRALLBFL-DLBZAZTESA-N 0 0 460.456 4.986 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001454711280 1066324182 /nfs/dbraw/zinc/32/41/82/1066324182.db2.gz UFLGLAFBCGTIGW-QFBILLFUSA-N 0 0 478.376 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)Cc2csc(-c3ccoc3)n2)c2ccccc21 ZINC001454711327 1066324230 /nfs/dbraw/zinc/32/42/30/1066324230.db2.gz JGWGAGMRDTUBGV-MRXNPFEDSA-N 0 0 453.564 4.991 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 ZINC001454709118 1066324384 /nfs/dbraw/zinc/32/43/84/1066324384.db2.gz PDDRZMJWVZFADN-SJORKVTESA-N 0 0 453.530 4.975 20 0 JJADRN C[C@H](CNC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)Sc1ccc(Br)cc1 ZINC001443531729 1066324286 /nfs/dbraw/zinc/32/42/86/1066324286.db2.gz OGQNGQYJTSGOHA-YGVKSYSMSA-N 0 0 469.445 4.739 20 0 JJADRN C[C@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)Sc1ccc(Br)cc1 ZINC001443531784 1066324376 /nfs/dbraw/zinc/32/43/76/1066324376.db2.gz PHGSVLXVMUQDJM-BZUAXINKSA-N 0 0 471.461 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001454713334 1066324712 /nfs/dbraw/zinc/32/47/12/1066324712.db2.gz HEJIJIIZSRSQCG-DLVCFXQMSA-N 0 0 454.970 4.853 20 0 JJADRN CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC001443533182 1066324982 /nfs/dbraw/zinc/32/49/82/1066324982.db2.gz APDVMIXZBFRFPH-JTQLQIEISA-N 0 0 451.759 4.705 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)c2)n1 ZINC001454714973 1066325250 /nfs/dbraw/zinc/32/52/50/1066325250.db2.gz VLDHGBNSKVYUHQ-CTNGQTDRSA-N 0 0 456.905 4.595 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)o1 ZINC001443534525 1066325481 /nfs/dbraw/zinc/32/54/81/1066325481.db2.gz CHYSXSCWMWPHHM-AEFFLSMTSA-N 0 0 458.559 4.569 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001454715357 1066325404 /nfs/dbraw/zinc/32/54/04/1066325404.db2.gz XSLRMTDQPRBVBP-VJBWXMMDSA-N 0 0 475.992 4.648 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1COCCO1 ZINC001361087229 1066325767 /nfs/dbraw/zinc/32/57/67/1066325767.db2.gz CNJNGCIKEQSHCN-UDJZJCJKSA-N 0 0 477.049 4.682 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1COC ZINC001454715956 1066325840 /nfs/dbraw/zinc/32/58/40/1066325840.db2.gz JQJNDJMWOBQOEX-MHPIHPPYSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001454716467 1066325960 /nfs/dbraw/zinc/32/59/60/1066325960.db2.gz WTSRZOWVYRFVKA-INIZCTEOSA-N 0 0 454.596 4.610 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C1 ZINC001546064738 1066326002 /nfs/dbraw/zinc/32/60/02/1066326002.db2.gz VJAMSRJAZZQLOU-VGSWGCGISA-N 0 0 461.404 4.688 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccc(OC)cc2)C1 ZINC001546064771 1066326044 /nfs/dbraw/zinc/32/60/44/1066326044.db2.gz VUTOPFLBMHUDCY-CLJLJLNGSA-N 0 0 456.631 4.587 20 0 JJADRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)nc2c1 ZINC001443535247 1066326016 /nfs/dbraw/zinc/32/60/16/1066326016.db2.gz WXQMTCNNXDFKQH-KBXCAEBGSA-N 0 0 455.584 4.891 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n2)c(C)c1 ZINC001443536591 1066326454 /nfs/dbraw/zinc/32/64/54/1066326454.db2.gz IHKFZKTYHZVKOZ-IBGZPJMESA-N 0 0 455.584 4.707 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccccn2)n1CC1(O)CCCCC1 ZINC001361087406 1066326793 /nfs/dbraw/zinc/32/67/93/1066326793.db2.gz JNZREIOTILPKRO-UHFFFAOYSA-N 0 0 484.044 4.978 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1(CC(C)C)CC1 ZINC001361087376 1066326810 /nfs/dbraw/zinc/32/68/10/1066326810.db2.gz ISMAMVQCIVJQGX-FQEVSTJZSA-N 0 0 488.076 4.745 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2ccccn2)C1 ZINC001546064844 1066326758 /nfs/dbraw/zinc/32/67/58/1066326758.db2.gz XIVWAJGQJQRMBF-OAQYLSRUSA-N 0 0 458.408 4.559 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ncc(Cl)n2C)n1[C@H]1C[C@@H]1C ZINC001361087434 1066326886 /nfs/dbraw/zinc/32/68/86/1066326886.db2.gz KKZCFOXDMVZVLX-YOEHRIQHSA-N 0 0 463.413 4.856 20 0 JJADRN COc1cc(/C=C(/C(=O)N2CCN(c3ccc(F)cc3F)CC2)c2ccccc2)ccc1O ZINC001454727947 1066326981 /nfs/dbraw/zinc/32/69/81/1066326981.db2.gz SUIWKKGKBUATOR-RCCKNPSSSA-N 0 0 450.485 4.568 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCO[C@@H](C)C2)n1CC[C@@H]1CCCCO1 ZINC001361087702 1066327748 /nfs/dbraw/zinc/32/77/48/1066327748.db2.gz AUENBXKHCHUNQX-UNMCSNQZSA-N 0 0 477.049 4.826 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCCCCC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001361087818 1066327994 /nfs/dbraw/zinc/32/79/94/1066327994.db2.gz CXNYGPBHVTWBKT-NLFFAJNJSA-N 0 0 477.049 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001454733189 1066328494 /nfs/dbraw/zinc/32/84/94/1066328494.db2.gz OLHZLOKLGDGZFS-QFBILLFUSA-N 0 0 450.526 4.638 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccccn2)n1Cc1ccco1 ZINC001361087870 1066328651 /nfs/dbraw/zinc/32/86/51/1066328651.db2.gz PTEKQYYUUHROLS-UHFFFAOYSA-N 0 0 451.958 4.924 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001454735818 1066328725 /nfs/dbraw/zinc/32/87/25/1066328725.db2.gz GEZFWBSXKYTFQR-NSHDSACASA-N 0 0 458.210 4.802 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC001454735765 1066328902 /nfs/dbraw/zinc/32/89/02/1066328902.db2.gz GEZFWBSXKYTFQR-LLVKDONJSA-N 0 0 458.210 4.802 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H]1CCSC1 ZINC001361088195 1066329632 /nfs/dbraw/zinc/32/96/32/1066329632.db2.gz SYQXZSLQMRVDBW-UXHICEINSA-N 0 0 479.090 4.867 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1nccs1 ZINC001361088258 1066329687 /nfs/dbraw/zinc/32/96/87/1066329687.db2.gz GSLBRLCQJISURT-KRWDZBQOSA-N 0 0 476.046 4.760 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H]1CCSC1 ZINC001361088194 1066329729 /nfs/dbraw/zinc/32/97/29/1066329729.db2.gz SYQXZSLQMRVDBW-PMACEKPBSA-N 0 0 479.090 4.867 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(OC)nc2)C1 ZINC001546064956 1066329894 /nfs/dbraw/zinc/32/98/94/1066329894.db2.gz ZTTMOSMCDQAVAE-QFIPXVFZSA-N 0 0 474.378 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC001454744985 1066330163 /nfs/dbraw/zinc/33/01/63/1066330163.db2.gz VQQZIPDBWAYSTI-GOSISDBHSA-N 0 0 452.473 4.841 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCC(=O)N(C)C ZINC001361088324 1066330747 /nfs/dbraw/zinc/33/07/47/1066330747.db2.gz IDGLFJBWCMNGFQ-UNMCSNQZSA-N 0 0 488.076 4.889 20 0 JJADRN CCCNC(=O)C1CCN(C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)CC1 ZINC001443577762 1066330766 /nfs/dbraw/zinc/33/07/66/1066330766.db2.gz GVOMVNUPQUBXGA-UHFFFAOYSA-N 0 0 450.970 4.571 20 0 JJADRN CCCc1c(C(=O)Oc2ccc(NC(=O)OCC)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001443578824 1066331212 /nfs/dbraw/zinc/33/12/12/1066331212.db2.gz KGEXOUZWZIZDHB-UHFFFAOYSA-N 0 0 459.449 4.899 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)Cc2ccon2)sc1C ZINC001361088538 1066331228 /nfs/dbraw/zinc/33/12/28/1066331228.db2.gz XEDILPLHYWHYND-UHFFFAOYSA-N 0 0 487.029 4.998 20 0 JJADRN O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001454766355 1066331535 /nfs/dbraw/zinc/33/15/35/1066331535.db2.gz IERDWXFHLCMTQV-ROUUACIJSA-N 0 0 457.290 4.820 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001361088579 1066331650 /nfs/dbraw/zinc/33/16/50/1066331650.db2.gz XHVAAXPQHDTOBA-RFPWRWETSA-N 0 0 479.040 4.987 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001443580171 1066331608 /nfs/dbraw/zinc/33/16/08/1066331608.db2.gz KGFRCTNPQLHRDM-UHFFFAOYSA-N 0 0 459.344 4.932 20 0 JJADRN O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001454766350 1066331722 /nfs/dbraw/zinc/33/17/22/1066331722.db2.gz IERDWXFHLCMTQV-QZTJIDSGSA-N 0 0 457.290 4.820 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCOCC1 ZINC001361088807 1066332682 /nfs/dbraw/zinc/33/26/82/1066332682.db2.gz LUEPZIMPICWTDB-GOSISDBHSA-N 0 0 488.032 4.887 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H](C)c2cccs2)n1Cc1nncn1C ZINC001361088683 1066332760 /nfs/dbraw/zinc/33/27/60/1066332760.db2.gz YFSZJIRVCGTCJG-KRWDZBQOSA-N 0 0 486.045 4.687 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 ZINC001443587969 1066333448 /nfs/dbraw/zinc/33/34/48/1066333448.db2.gz RMCKAVNYSNTESR-MONBJTKQSA-N 0 0 454.542 4.812 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)OCC(F)(F)F ZINC001443589643 1066333485 /nfs/dbraw/zinc/33/34/85/1066333485.db2.gz VPTCAILRAQSUHU-RKVPGOIHSA-N 0 0 458.477 4.531 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c1 ZINC001443589574 1066333666 /nfs/dbraw/zinc/33/36/66/1066333666.db2.gz XYXIGTGZQLWYBX-QFIPXVFZSA-N 0 0 454.567 4.901 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC001443591244 1066334053 /nfs/dbraw/zinc/33/40/53/1066334053.db2.gz OECPZWUVVWIFMP-VQIMIIECSA-N 0 0 452.580 4.518 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)OCC(F)(F)F ZINC001443589644 1066334075 /nfs/dbraw/zinc/33/40/75/1066334075.db2.gz VPTCAILRAQSUHU-RVKKMQEKSA-N 0 0 458.477 4.531 20 0 JJADRN CC(C)CN1Cc2cccc(NC(=O)C3(S(=O)(=O)c4ccc(F)cc4)CCCCC3)c2C1 ZINC001546065409 1066334227 /nfs/dbraw/zinc/33/42/27/1066334227.db2.gz NXBXUKBBUWQWHE-UHFFFAOYSA-N 0 0 458.599 4.913 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](c2ccco2)C1)OC ZINC001545960440 1066334499 /nfs/dbraw/zinc/33/44/99/1066334499.db2.gz CWGYAOMKEUBUQP-ZIAGYGMSSA-N 0 0 451.390 4.781 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](c2ccco2)C1)OC ZINC001545960438 1066334606 /nfs/dbraw/zinc/33/46/06/1066334606.db2.gz CWGYAOMKEUBUQP-KGLIPLIRSA-N 0 0 451.390 4.781 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccco2)C1)OC ZINC001545960439 1066334690 /nfs/dbraw/zinc/33/46/90/1066334690.db2.gz CWGYAOMKEUBUQP-UONOGXRCSA-N 0 0 451.390 4.781 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCC(=O)NC(C)C ZINC001361089193 1066334928 /nfs/dbraw/zinc/33/49/28/1066334928.db2.gz QGDLNHSTEFXPLI-UNMCSNQZSA-N 0 0 488.076 4.935 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001443597054 1066335002 /nfs/dbraw/zinc/33/50/02/1066335002.db2.gz AZGIOUPLPSPFPP-UHFFFAOYSA-N 0 0 456.774 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC001443597847 1066335056 /nfs/dbraw/zinc/33/50/56/1066335056.db2.gz BWJUMPAOWLHZAJ-JOCHJYFZSA-N 0 0 457.534 4.699 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCC(=O)NC(C)(C)C ZINC001361089252 1066335239 /nfs/dbraw/zinc/33/52/39/1066335239.db2.gz RGNUABUMFSGHMM-FPOVZHCZSA-N 0 0 488.076 4.935 20 0 JJADRN CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001443597114 1066335279 /nfs/dbraw/zinc/33/52/79/1066335279.db2.gz BCEVMCLSOWAMHP-XMMPIXPASA-N 0 0 451.592 4.828 20 0 JJADRN O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001454828889 1066335556 /nfs/dbraw/zinc/33/55/56/1066335556.db2.gz GIDKHHGOKONESY-OAHLLOKOSA-N 0 0 454.309 4.988 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001454827743 1066335818 /nfs/dbraw/zinc/33/58/18/1066335818.db2.gz MFWXPZWIUJRRDJ-NUZGMZIFSA-N 0 0 452.599 4.904 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)CC2)n1CC1=CCCOC1 ZINC001361089455 1066335643 /nfs/dbraw/zinc/33/56/43/1066335643.db2.gz UUGFSQVJXSHXTI-UHFFFAOYSA-N 0 0 466.960 4.834 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001443602816 1066335678 /nfs/dbraw/zinc/33/56/78/1066335678.db2.gz RQWSWNYJDQCNPK-QFBILLFUSA-N 0 0 456.543 4.548 20 0 JJADRN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001546065697 1066336115 /nfs/dbraw/zinc/33/61/15/1066336115.db2.gz WSWUELBAQIZFKO-AWEZNQCLSA-N 0 0 451.375 4.971 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)c1 ZINC001443604689 1066336043 /nfs/dbraw/zinc/33/60/43/1066336043.db2.gz NWTITOCPWVNLKV-XMMPIXPASA-N 0 0 451.592 4.793 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)c1 ZINC001443604685 1066336118 /nfs/dbraw/zinc/33/61/18/1066336118.db2.gz NWTITOCPWVNLKV-DEOSSOPVSA-N 0 0 451.592 4.793 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC001443604726 1066336242 /nfs/dbraw/zinc/33/62/42/1066336242.db2.gz OIYRIGPFDRBNEH-BHDDXSALSA-N 0 0 450.501 4.566 20 0 JJADRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454851898 1066336301 /nfs/dbraw/zinc/33/63/01/1066336301.db2.gz SGDMCQQTHWGCLC-GOSISDBHSA-N 0 0 454.567 4.737 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001454836443 1066336411 /nfs/dbraw/zinc/33/64/11/1066336411.db2.gz OJXVONVBCRPCGD-UHFFFAOYSA-N 0 0 454.739 4.622 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001546065840 1066336688 /nfs/dbraw/zinc/33/66/88/1066336688.db2.gz AOYWELFNPOEYGH-PPJWLVRDSA-N 0 0 456.631 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001454865303 1066337075 /nfs/dbraw/zinc/33/70/75/1066337075.db2.gz CVIJCJQGDDHMSW-OAQYLSRUSA-N 0 0 456.970 4.950 20 0 JJADRN Cc1cnn(-c2cc(C(=O)N[C@@H](C)c3sc(-c4ccc(F)cc4)nc3C)c(N)cc2F)c1 ZINC001443608445 1066337510 /nfs/dbraw/zinc/33/75/10/1066337510.db2.gz ZFHFLOMFJBGZFB-ZDUSSCGKSA-N 0 0 453.518 4.964 20 0 JJADRN CCCCOC(=O)CNC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 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CDPQVVWTZREUDQ-OAQYLSRUSA-N 0 0 454.375 4.939 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001454974252 1066348354 /nfs/dbraw/zinc/34/83/54/1066348354.db2.gz XBPXVGQZQFCSFQ-QHCPKHFHSA-N 0 0 458.558 4.841 20 0 JJADRN C[C@H](NC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)[C@H](C)N1CCOCC1 ZINC001443679662 1066348325 /nfs/dbraw/zinc/34/83/25/1066348325.db2.gz MJCIIKFFIVWIAX-PMACEKPBSA-N 0 0 450.604 4.833 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001443677829 1066348344 /nfs/dbraw/zinc/34/83/44/1066348344.db2.gz SDHWGQQGNHDZFM-UHFFFAOYSA-N 0 0 453.493 4.828 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC001443683737 1066349347 /nfs/dbraw/zinc/34/93/47/1066349347.db2.gz AGJANKMXNHDBEL-OAHLLOKOSA-N 0 0 452.546 4.824 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)C(=Cc2ccc(OC)cc2)c2cccs2)C1 ZINC001443683741 1066349568 /nfs/dbraw/zinc/34/95/68/1066349568.db2.gz AHGYRTIZLPGESO-WFVLPUPGSA-N 0 0 454.621 4.604 20 0 JJADRN CC[C@@H](C[C@@H](C)O)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001454984162 1066349888 /nfs/dbraw/zinc/34/98/88/1066349888.db2.gz SQJIJSUYJYKOCJ-MOPGFXCFSA-N 0 0 450.579 4.504 20 0 JJADRN CC[C@H](C[C@@H](C)O)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001454984165 1066349966 /nfs/dbraw/zinc/34/99/66/1066349966.db2.gz SQJIJSUYJYKOCJ-RTBURBONSA-N 0 0 450.579 4.504 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNC(=O)C(C)C)c1 ZINC001361100133 1066350000 /nfs/dbraw/zinc/35/00/00/1066350000.db2.gz XUZMCTPQEINCAK-GOSISDBHSA-N 0 0 451.640 4.980 20 0 JJADRN O=C(N[C@H](COc1ccccc1)c1ccccc1)c1nc2ccc(Br)cn2c1F ZINC001443689604 1066350412 /nfs/dbraw/zinc/35/04/12/1066350412.db2.gz ONWRFNYBRLQBKW-GOSISDBHSA-N 0 0 454.299 4.786 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(Br)c(Br)c2)[nH]c(C)c1C(=O)OC ZINC001454997300 1066350661 /nfs/dbraw/zinc/35/06/61/1066350661.db2.gz AODHDOXCXQTPMA-UHFFFAOYSA-N 0 0 458.150 4.840 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC001443686826 1066350658 /nfs/dbraw/zinc/35/06/58/1066350658.db2.gz IDWJOASPSWBZEL-CQSZACIVSA-N 0 0 450.486 4.885 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001361101966 1066351003 /nfs/dbraw/zinc/35/10/03/1066351003.db2.gz HWUPEYWQQULKCK-CVEARBPZSA-N 0 0 455.462 4.721 20 0 JJADRN COC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1cccc(Br)c1 ZINC001455004243 1066351154 /nfs/dbraw/zinc/35/11/54/1066351154.db2.gz JGFUTLVVUYSURT-LJQANCHMSA-N 0 0 459.365 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1(F)F ZINC001455003056 1066351218 /nfs/dbraw/zinc/35/12/18/1066351218.db2.gz HDLFTNPQGGUCHF-ATZDWAIDSA-N 0 0 462.541 4.707 20 0 JJADRN CC(C)C[C@@H](C(=O)NCC(C)(C)Sc1ccc(Br)cc1)N1CCCCC1=O ZINC001361102465 1066351536 /nfs/dbraw/zinc/35/15/36/1066351536.db2.gz SXESEZXGTICUPF-SFHVURJKSA-N 0 0 455.462 4.863 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(F)CCC2)c1 ZINC001361102318 1066351573 /nfs/dbraw/zinc/35/15/73/1066351573.db2.gz ZTWGYPLFJXBDNN-HXUWFJFHSA-N 0 0 473.593 4.945 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(F)CCC2)c1 ZINC001361102314 1066351590 /nfs/dbraw/zinc/35/15/90/1066351590.db2.gz ZTWGYPLFJXBDNN-FQEVSTJZSA-N 0 0 473.593 4.945 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)c1ccc(C)cc1 ZINC001443695319 1066351532 /nfs/dbraw/zinc/35/15/32/1066351532.db2.gz YESIYSTYADCORZ-RUZDIDTESA-N 0 0 453.542 4.843 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001545961188 1066351589 /nfs/dbraw/zinc/35/15/89/1066351589.db2.gz QLQWIOXRJWEGCU-LPHOPBHVSA-N 0 0 493.837 4.861 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCO2)c1 ZINC001361102739 1066352080 /nfs/dbraw/zinc/35/20/80/1066352080.db2.gz DMVYDHNOMKSJOU-CEYNDMKZSA-N 0 0 455.603 4.694 20 0 JJADRN C[C@H](CC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697392 1066352322 /nfs/dbraw/zinc/35/23/22/1066352322.db2.gz GAUXPEVJIZIQRX-KCZVDYSFSA-N 0 0 459.631 4.692 20 0 JJADRN C[C@H](CC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697395 1066352367 /nfs/dbraw/zinc/35/23/67/1066352367.db2.gz GAUXPEVJIZIQRX-URVUXULASA-N 0 0 459.631 4.692 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC001443698866 1066352756 /nfs/dbraw/zinc/35/27/56/1066352756.db2.gz ISRGPFAHIHLVML-JOCHJYFZSA-N 0 0 453.384 4.544 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001443702051 1066353254 /nfs/dbraw/zinc/35/32/54/1066353254.db2.gz URIDCXKPOKTBCP-NRFANRHFSA-N 0 0 455.967 4.955 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCc1cccc(F)c1Br)c1ccc(SC)cc1 ZINC001361104004 1066353265 /nfs/dbraw/zinc/35/32/65/1066353265.db2.gz MAZUQLROURYFRA-QGZVFWFLSA-N 0 0 454.361 4.663 20 0 JJADRN Cc1c(I)cc(Br)cc1C(=O)N1CC[C@H](CC(C)C)C1 ZINC001361104432 1066353608 /nfs/dbraw/zinc/35/36/08/1066353608.db2.gz OEXCYPOOFDPWMP-GFCCVEGCSA-N 0 0 450.158 4.870 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc3ncccc23)CC1 ZINC001443704034 1066353627 /nfs/dbraw/zinc/35/36/27/1066353627.db2.gz WWTYPMCMPAMXCS-HSZRJFAPSA-N 0 0 452.396 4.835 20 0 JJADRN COc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c(C(=O)NC2CC2)c1 ZINC001443703998 1066353766 /nfs/dbraw/zinc/35/37/66/1066353766.db2.gz WROYGNHUJKQYQI-UHFFFAOYSA-N 0 0 453.589 4.897 20 0 JJADRN Cc1ncc(C(=O)Nc2c(-c3ccc(Cl)c(Cl)c3)ncn2Cc2ccccc2)c(N)n1 ZINC001455011668 1066353891 /nfs/dbraw/zinc/35/38/91/1066353891.db2.gz NZVCBHPUVOSGDT-UHFFFAOYSA-N 0 0 453.333 4.838 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)(C)C2CCC(O)CC2)CC1 ZINC001443704053 1066354312 /nfs/dbraw/zinc/35/43/12/1066354312.db2.gz XBLYVFLQJNTZOC-MNLRITNHSA-N 0 0 451.449 4.622 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1)OC ZINC001545961267 1066354362 /nfs/dbraw/zinc/35/43/62/1066354362.db2.gz RPJHPTTTXIDGFH-FOIQADDNSA-N 0 0 471.827 4.791 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC001455039024 1066354599 /nfs/dbraw/zinc/35/45/99/1066354599.db2.gz OJKBJCHGSIYBLG-NXHRZFHOSA-N 0 0 450.963 4.867 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCC(C)(C)C)CC2)nc(C(C)C)n1 ZINC001361105861 1066354766 /nfs/dbraw/zinc/35/47/66/1066354766.db2.gz ZZUKCQFRXJFOPK-UHFFFAOYSA-N 0 0 450.635 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)CCSc2ccc(Br)cc2)C1 ZINC001443706920 1066355472 /nfs/dbraw/zinc/35/54/72/1066355472.db2.gz VYHGSHSXXRRRCF-HNNXBMFYSA-N 0 0 457.434 4.695 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361106095 1066355502 /nfs/dbraw/zinc/35/55/02/1066355502.db2.gz BAVRXEVUDRWXPG-PMACEKPBSA-N 0 0 469.630 4.673 20 0 JJADRN CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1(C)C ZINC001361106086 1066355610 /nfs/dbraw/zinc/35/56/10/1066355610.db2.gz DAUJPSQCEJWXFJ-AUSIDOKSSA-N 0 0 459.384 4.977 20 0 JJADRN O=C(CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(F)c2ccccc12 ZINC001455050091 1066355721 /nfs/dbraw/zinc/35/57/21/1066355721.db2.gz IHPGAXWHPAIFRV-UHFFFAOYSA-N 0 0 459.374 4.935 20 0 JJADRN CC(C)c1nc(C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)nn1-c1cccc(F)c1 ZINC001455051086 1066355736 /nfs/dbraw/zinc/35/57/36/1066355736.db2.gz XGBSTZFVSFCGKG-UHFFFAOYSA-N 0 0 455.559 4.544 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@H](C)Oc3cccc(OC)c3)nn2-c2ccccc2)cc1 ZINC001361106548 1066355921 /nfs/dbraw/zinc/35/59/21/1066355921.db2.gz IGVYWHRUSUXQKI-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2)c1ccc(Cl)c(Cl)c1Cl ZINC001443711107 1066356099 /nfs/dbraw/zinc/35/60/99/1066356099.db2.gz LKKWGBMUELTXFV-XAAFQQQXSA-N 0 0 463.789 4.850 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361106960 1066356126 /nfs/dbraw/zinc/35/61/26/1066356126.db2.gz JKTZOPJORBBWQB-GIVPXCGWSA-N 0 0 482.547 4.843 20 0 JJADRN O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CC(c2ncc(Br)cn2)C1 ZINC001455056576 1066356235 /nfs/dbraw/zinc/35/62/35/1066356235.db2.gz AAXHCPMHRIRYLG-UHFFFAOYSA-N 0 0 452.230 4.758 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3cc(-c4ccccc4Cl)n[nH]3)CC2)nc1C ZINC001455057729 1066356358 /nfs/dbraw/zinc/35/63/58/1066356358.db2.gz YVZSXEASJHKSFL-UHFFFAOYSA-N 0 0 458.971 4.692 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001443717647 1066356292 /nfs/dbraw/zinc/35/62/92/1066356292.db2.gz ZYJBOLDAKBOUCO-FPTDNZKUSA-N 0 0 450.963 4.915 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361106966 1066356362 /nfs/dbraw/zinc/35/63/62/1066356362.db2.gz JKTZOPJORBBWQB-NRSPTQNISA-N 0 0 482.547 4.843 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361107333 1066356379 /nfs/dbraw/zinc/35/63/79/1066356379.db2.gz MMJVSTTXNCGRQO-RTWAWAEBSA-N 0 0 467.658 4.700 20 0 JJADRN CCC(CC)(NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 ZINC001443718445 1066356596 /nfs/dbraw/zinc/35/65/96/1066356596.db2.gz KNPADGJWKBQRGW-MSOLQXFVSA-N 0 0 453.391 4.829 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)c1 ZINC001361107828 1066356498 /nfs/dbraw/zinc/35/64/98/1066356498.db2.gz QPESSQJRDOYBEM-DOTOQJQBSA-N 0 0 476.444 4.753 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC(c3ccc(Cl)cn3)CC2)cc1 ZINC001455060503 1066356585 /nfs/dbraw/zinc/35/65/85/1066356585.db2.gz HECYSUDPBLHWJC-UHFFFAOYSA-N 0 0 456.015 4.937 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361107845 1066357059 /nfs/dbraw/zinc/35/70/59/1066357059.db2.gz QVKZOMPNOFNNBX-VXKWHMMOSA-N 0 0 490.652 4.556 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001361108194 1066357129 /nfs/dbraw/zinc/35/71/29/1066357129.db2.gz UIZZINCAJRPQHM-KRWDZBQOSA-N 0 0 462.520 4.623 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455069472 1066357211 /nfs/dbraw/zinc/35/72/11/1066357211.db2.gz RBMSNPLQPQAXPO-NRFANRHFSA-N 0 0 457.958 4.513 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCN([C@@H](C)c4ccc(F)cc4F)CC3)nc2)cc1 ZINC001443724630 1066357447 /nfs/dbraw/zinc/35/74/47/1066357447.db2.gz CGRWEEWKTRKAEJ-KRWDZBQOSA-N 0 0 453.489 4.680 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC001443725098 1066357465 /nfs/dbraw/zinc/35/74/65/1066357465.db2.gz AKJRGFCUVDCDBD-OAHLLOKOSA-N 0 0 451.405 4.633 20 0 JJADRN COCCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001443725420 1066357483 /nfs/dbraw/zinc/35/74/83/1066357483.db2.gz LUQGQFVOELIHCU-OAQYLSRUSA-N 0 0 451.535 4.615 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@@H](C)C2)c1 ZINC001361108394 1066357565 /nfs/dbraw/zinc/35/75/65/1066357565.db2.gz XJTRRBLWIGEFPV-OKZBNKHCSA-N 0 0 472.431 4.914 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C(C)C)CC2)c1 ZINC001443726889 1066357791 /nfs/dbraw/zinc/35/77/91/1066357791.db2.gz FQSGHCOFIFOQTQ-HXUWFJFHSA-N 0 0 459.590 4.962 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC001361109537 1066357792 /nfs/dbraw/zinc/35/77/92/1066357792.db2.gz AEINVJBXLGGTBD-QHCPKHFHSA-N 0 0 481.685 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)cs1 ZINC001361109820 1066358393 /nfs/dbraw/zinc/35/83/93/1066358393.db2.gz GLTIRBHWPYOVAR-XXBNENTESA-N 0 0 469.655 4.661 20 0 JJADRN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443727483 1066358445 /nfs/dbraw/zinc/35/84/45/1066358445.db2.gz LOFPWKSIKLTZHX-HRAATJIYSA-N 0 0 454.325 4.904 20 0 JJADRN CC1(C)CC[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)[C@H](c2ccccc2)C1 ZINC001455083737 1066358521 /nfs/dbraw/zinc/35/85/21/1066358521.db2.gz JEIKPAXZAYNQAZ-UPVQGACJSA-N 0 0 453.602 4.662 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CCC(C(F)(F)F)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110159 1066358874 /nfs/dbraw/zinc/35/88/74/1066358874.db2.gz LVZVMSWDLNNAQM-DVECYGJZSA-N 0 0 496.574 4.873 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CCC(C(F)(F)F)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110160 1066358956 /nfs/dbraw/zinc/35/89/56/1066358956.db2.gz LVZVMSWDLNNAQM-NTKDMRAZSA-N 0 0 496.574 4.873 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N(C)Cc3ccsc3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110349 1066359308 /nfs/dbraw/zinc/35/93/08/1066359308.db2.gz NAMOZBMXOQAMGX-CPJSRVTESA-N 0 0 470.639 4.793 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)[C@@H]1CCc2n[nH]cc2C1 ZINC001455088123 1066359340 /nfs/dbraw/zinc/35/93/40/1066359340.db2.gz YUPLIHMRAGWXMU-CYBMUJFWSA-N 0 0 459.287 4.550 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@@H](C)CC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110588 1066359781 /nfs/dbraw/zinc/35/97/81/1066359781.db2.gz QITBLQIBVCTTBW-XXAUWVGASA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361110552 1066359882 /nfs/dbraw/zinc/35/98/82/1066359882.db2.gz PTCWJRTVPGVKEK-SFHVURJKSA-N 0 0 451.596 4.948 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C(C)(C)C2)c1 ZINC001361110572 1066359978 /nfs/dbraw/zinc/35/99/78/1066359978.db2.gz QDIRBTKFKGKSAS-PMACEKPBSA-N 0 0 481.666 4.918 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1)C(=O)OC(C)(C)C ZINC001443731652 1066360432 /nfs/dbraw/zinc/36/04/32/1066360432.db2.gz QQOITBBVYZRUOW-KRWDZBQOSA-N 0 0 456.505 4.623 20 0 JJADRN CSc1cc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)ccc1Br ZINC001443732135 1066360510 /nfs/dbraw/zinc/36/05/10/1066360510.db2.gz LRDXIUIFPDHGRA-ZDUSSCGKSA-N 0 0 455.368 4.968 20 0 JJADRN COC(=O)c1c(C)sc(C)c1NC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC001455098747 1066360561 /nfs/dbraw/zinc/36/05/61/1066360561.db2.gz LJQIKGHPUOMCEG-UHFFFAOYSA-N 0 0 454.342 4.524 20 0 JJADRN CSc1cc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001443734057 1066360669 /nfs/dbraw/zinc/36/06/69/1066360669.db2.gz ZYYZEBHKQVUIOC-ZDUSSCGKSA-N 0 0 457.434 4.936 20 0 JJADRN Cc1ccccc1OCCCNC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001443734890 1066360865 /nfs/dbraw/zinc/36/08/65/1066360865.db2.gz WLHWUWSQFWRVPP-HXUWFJFHSA-N 0 0 458.558 4.807 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N(C)CC3CCCC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110985 1066360749 /nfs/dbraw/zinc/36/07/49/1066360749.db2.gz VEHMSAHUCBIBTR-LVXARBLLSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001361111151 1066361240 /nfs/dbraw/zinc/36/12/40/1066361240.db2.gz WDLQPKGYKAMYOY-SFHVURJKSA-N 0 0 475.424 4.815 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c(C(F)F)n1 ZINC001455103887 1066361414 /nfs/dbraw/zinc/36/14/14/1066361414.db2.gz WLCREJJCPVGEQV-HSZRJFAPSA-N 0 0 456.578 4.880 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)cc2C1 ZINC001455103894 1066361561 /nfs/dbraw/zinc/36/15/61/1066361561.db2.gz WOCKWEZSISJWMS-MRDQGFSESA-N 0 0 459.631 4.705 20 0 JJADRN Cc1nc(C)c(CCNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)s1 ZINC001443743037 1066361811 /nfs/dbraw/zinc/36/18/11/1066361811.db2.gz JTPPJYYNJXSPQQ-UHFFFAOYSA-N 0 0 450.604 4.746 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361111773 1066362043 /nfs/dbraw/zinc/36/20/43/1066362043.db2.gz BCPIJCGJSGIVBV-WXVAWEFUSA-N 0 0 470.658 4.969 20 0 JJADRN COCC(=O)Nc1ccc(OC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 ZINC001443742714 1066362103 /nfs/dbraw/zinc/36/21/03/1066362103.db2.gz NIHJXYWMONNPJM-UHFFFAOYSA-N 0 0 458.518 4.792 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443753684 1066362425 /nfs/dbraw/zinc/36/24/25/1066362425.db2.gz FAJYURTWDZYHKM-FQRUVTKNSA-N 0 0 458.606 4.703 20 0 JJADRN O=C([C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1C[C@H](O)CC2(CCOCC2)C1 ZINC001455116293 1066362985 /nfs/dbraw/zinc/36/29/85/1066362985.db2.gz UWYODSBUBHEDLU-DYESRHJHSA-N 0 0 450.362 4.504 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001443760160 1066363002 /nfs/dbraw/zinc/36/30/02/1066363002.db2.gz NIBBHRFDZSBJFI-SFGWALBWSA-N 0 0 455.599 4.744 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001443760349 1066363143 /nfs/dbraw/zinc/36/31/43/1066363143.db2.gz VAGJOSAETIZDON-UHFFFAOYSA-N 0 0 459.546 4.863 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@H]1COc2cccc(Br)c2C1 ZINC001455112169 1066363020 /nfs/dbraw/zinc/36/30/20/1066363020.db2.gz KRMSHSLKCNGGOW-SNVBAGLBSA-N 0 0 459.565 4.527 20 0 JJADRN Cn1c(C(=O)N[C@H]2COc3cccc(Br)c3C2)cc2cc(C(F)(F)F)ccc21 ZINC001455113391 1066363067 /nfs/dbraw/zinc/36/30/67/1066363067.db2.gz ZAQIHCBLKUVMKT-CYBMUJFWSA-N 0 0 453.258 4.693 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361112425 1066363389 /nfs/dbraw/zinc/36/33/89/1066363389.db2.gz WGABFFYXGVPGJN-LJQANCHMSA-N 0 0 483.613 4.831 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361112386 1066363514 /nfs/dbraw/zinc/36/35/14/1066363514.db2.gz VIMZNBLKNPARRN-OAQYLSRUSA-N 0 0 496.656 4.610 20 0 JJADRN CC[C@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)c1ccccc1 ZINC001455122604 1066363493 /nfs/dbraw/zinc/36/34/93/1066363493.db2.gz HZJMGMPWMOODQX-BVZFJXPGSA-N 0 0 456.542 4.691 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC[C@]3(C)C3CCCCC3)c2)c1 ZINC001455120300 1066363542 /nfs/dbraw/zinc/36/35/42/1066363542.db2.gz ZUEKECVXVHSBPL-AREMUKBSSA-N 0 0 452.551 4.847 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361112948 1066363946 /nfs/dbraw/zinc/36/39/46/1066363946.db2.gz LEOCNQFRDGWIRT-CABCVRRESA-N 0 0 458.356 4.954 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)Cc2ccc(Br)c(Cl)c2)n1 ZINC001361113469 1066364343 /nfs/dbraw/zinc/36/43/43/1066364343.db2.gz ZGHNZUCSFNJNQF-NSHDSACASA-N 0 0 450.720 4.581 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCOc2cccc(C)c2)s1 ZINC001361113470 1066364521 /nfs/dbraw/zinc/36/45/21/1066364521.db2.gz JRLZDEASGNXGHB-IBGZPJMESA-N 0 0 462.623 4.656 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC001455135274 1066364780 /nfs/dbraw/zinc/36/47/80/1066364780.db2.gz IFWGOCLFSWJMKJ-UHFFFAOYSA-N 0 0 458.562 4.726 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001443767280 1066365055 /nfs/dbraw/zinc/36/50/55/1066365055.db2.gz KTWRUNCKBVZNAN-CVEARBPZSA-N 0 0 453.332 4.822 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(CC3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361113676 1066364921 /nfs/dbraw/zinc/36/49/21/1066364921.db2.gz OUENFJRKHLBXMS-UHFFFAOYSA-N 0 0 483.657 4.701 20 0 JJADRN Cc1cc2cc(Cn3c(C(C)C)nnc3N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)ccc2[nH]1 ZINC001361113697 1066365019 /nfs/dbraw/zinc/36/50/19/1066365019.db2.gz PHGGCKIVTWSPMX-UYAOXDASSA-N 0 0 466.630 4.979 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2CCCc2c[nH]nc2C)C1 ZINC001546068479 1066365017 /nfs/dbraw/zinc/36/50/17/1066365017.db2.gz QCMKXSDQWQWFCK-QFIPXVFZSA-N 0 0 457.420 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)(c2ccccc2)C1 ZINC001455142044 1066365285 /nfs/dbraw/zinc/36/52/85/1066365285.db2.gz QYKQHDVNQQCOHY-GOSISDBHSA-N 0 0 452.448 4.978 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC2)c1 ZINC001361114019 1066365337 /nfs/dbraw/zinc/36/53/37/1066365337.db2.gz ZFZYFMNHFOJFAJ-UHFFFAOYSA-N 0 0 469.630 4.626 20 0 JJADRN C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC001361114050 1066365528 /nfs/dbraw/zinc/36/55/28/1066365528.db2.gz AKFIWFFYUYDEEO-UAZFBGOLSA-N 0 0 451.007 4.943 20 0 JJADRN C[C@H]1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114852 1066366457 /nfs/dbraw/zinc/36/64/57/1066366457.db2.gz SNAVBLGAWBMMFL-UNMCSNQZSA-N 0 0 455.599 4.606 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC ZINC001443775353 1066366598 /nfs/dbraw/zinc/36/65/98/1066366598.db2.gz QZMXQPPFBHTOBE-OAQYLSRUSA-N 0 0 450.535 4.910 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3Cc3ccccc3OC(F)F)CC2)s1 ZINC001361115426 1066366954 /nfs/dbraw/zinc/36/69/54/1066366954.db2.gz KCBPIDOPFQZBOU-UHFFFAOYSA-N 0 0 489.592 4.558 20 0 JJADRN CC(C)Oc1cccc(CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1 ZINC001443784667 1066367776 /nfs/dbraw/zinc/36/77/76/1066367776.db2.gz AJZNXQSPNDOUFE-UHFFFAOYSA-N 0 0 451.954 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)c2noc(-c3cccc(F)c3)n2)C1(C)C ZINC001455169814 1066367952 /nfs/dbraw/zinc/36/79/52/1066367952.db2.gz YSFMKUQMPRZHFD-GOSISDBHSA-N 0 0 452.486 4.881 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccccc3Cl)CC2)s1 ZINC001361116723 1066368066 /nfs/dbraw/zinc/36/80/66/1066368066.db2.gz MKABODAAYIXBKG-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC001443787762 1066368338 /nfs/dbraw/zinc/36/83/38/1066368338.db2.gz KOTPTNRTDFZBTB-INIZCTEOSA-N 0 0 458.345 4.823 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)[C@@H](CO)c1ccccc1 ZINC001455189357 1066368491 /nfs/dbraw/zinc/36/84/91/1066368491.db2.gz FJGRIVIXZVHPLN-UPVQGACJSA-N 0 0 452.595 4.827 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NC[C@@H]1CCOc2ccccc21)NC(=O)OC(C)(C)C ZINC001443789023 1066368916 /nfs/dbraw/zinc/36/89/16/1066368916.db2.gz LBBXMXDDZSTDTO-GHTZIAJQSA-N 0 0 454.567 4.724 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCc3cccc(F)c3F)CC2)s1 ZINC001361117814 1066368928 /nfs/dbraw/zinc/36/89/28/1066368928.db2.gz NRDLWSASKSQPNP-UHFFFAOYSA-N 0 0 487.620 4.766 20 0 JJADRN Cn1ccc(Nc2ccccc2NC(=O)c2cc(Br)ccc2Br)n1 ZINC001455195124 1066369304 /nfs/dbraw/zinc/36/93/04/1066369304.db2.gz BRCNXZGEBXNODH-UHFFFAOYSA-N 0 0 450.134 4.941 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC001361118244 1066369623 /nfs/dbraw/zinc/36/96/23/1066369623.db2.gz UPTPNWFOYICRPV-VWLOTQADSA-N 0 0 454.636 4.774 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Br)c2)C1 ZINC001455202676 1066369782 /nfs/dbraw/zinc/36/97/82/1066369782.db2.gz AETZTCBMWVVUFO-WMLDXEAASA-N 0 0 459.812 4.845 20 0 JJADRN O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)OCc1ccccc1Cl ZINC001443794691 1066369738 /nfs/dbraw/zinc/36/97/38/1066369738.db2.gz NRCHEPPAFIISJG-UHFFFAOYSA-N 0 0 451.935 4.727 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ncc(C(F)(F)F)cc1Cl)Cc1cccc2ccccc21 ZINC001443805961 1066370252 /nfs/dbraw/zinc/37/02/52/1066370252.db2.gz AQAQHRIMTDDKHU-HNNXBMFYSA-N 0 0 450.844 4.669 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCCC1 ZINC001361119151 1066370244 /nfs/dbraw/zinc/37/02/44/1066370244.db2.gz RDEPGQPGJQOSSA-MRXNPFEDSA-N 0 0 451.375 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CC[C@@H](c3ccccc3Cl)C2(C)C)C1 ZINC001455204803 1066370354 /nfs/dbraw/zinc/37/03/54/1066370354.db2.gz UXYVWEWVZDMGKN-HKUYNNGSSA-N 0 0 451.007 4.851 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)CNC(=O)c3ccc(Br)cc3)CCCC2)cc1 ZINC001443803659 1066370285 /nfs/dbraw/zinc/37/02/85/1066370285.db2.gz MDKHASKZGLAOND-UHFFFAOYSA-N 0 0 457.412 4.931 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC001443812548 1066370897 /nfs/dbraw/zinc/37/08/97/1066370897.db2.gz GAEGDRMDJPZXHS-YTTGMZPUSA-N 0 0 455.620 4.791 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@@H]2C)cc1 ZINC001361119871 1066370917 /nfs/dbraw/zinc/37/09/17/1066370917.db2.gz LHDPQMRQYFMRMB-HOTGVXAUSA-N 0 0 488.455 4.742 20 0 JJADRN CCc1c(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)OC)cnn1-c1ccccc1C ZINC001443815501 1066371071 /nfs/dbraw/zinc/37/10/71/1066371071.db2.gz KVMYKKZDRWYTJS-JOCHJYFZSA-N 0 0 455.558 4.658 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@H](OC)C(C)C)C1 ZINC001546070048 1066371420 /nfs/dbraw/zinc/37/14/20/1066371420.db2.gz BHYRDNNPBADIKP-HFZDXXHNSA-N 0 0 466.630 4.533 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc(Oc2ccccc2F)nc1 ZINC001443822160 1066371670 /nfs/dbraw/zinc/37/16/70/1066371670.db2.gz OFEHUKHQVCVLRZ-JGCGQSQUSA-N 0 0 454.523 4.693 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1csc(Cc2ccccc2F)n1 ZINC001443822252 1066371704 /nfs/dbraw/zinc/37/17/04/1066371704.db2.gz ORVLRWYEXKGDAM-WJOKGBTCSA-N 0 0 458.580 4.553 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCCC2(C)C)c1 ZINC001361122052 1066371921 /nfs/dbraw/zinc/37/19/21/1066371921.db2.gz COWNNGZFQKTVBD-WOJBJXKFSA-N 0 0 455.647 4.815 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CC[C@H](SC)C2)cc1OC ZINC001361122129 1066372034 /nfs/dbraw/zinc/37/20/34/1066372034.db2.gz GMEGGQCDARFJOW-PMACEKPBSA-N 0 0 451.592 4.630 20 0 JJADRN COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(Cl)c1OCC(C)C ZINC001455220279 1066372027 /nfs/dbraw/zinc/37/20/27/1066372027.db2.gz OGOOBNSWBZXBJB-PXNSSMCTSA-N 0 0 459.892 4.648 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(OC)c(-c2ccccn2)c1)Cc1cccc2ccccc21 ZINC001443823956 1066372305 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O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1COCCN1C1CCCC1 ZINC001455258327 1066376374 /nfs/dbraw/zinc/37/63/74/1066376374.db2.gz ORZRUATZRXMIRH-NRFANRHFSA-N 0 0 450.913 4.670 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCc2cccnc2)c1 ZINC001361124066 1066376420 /nfs/dbraw/zinc/37/64/20/1066376420.db2.gz VWWMWBRPUPPVPB-QHCPKHFHSA-N 0 0 463.626 4.789 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC001443856399 1066376922 /nfs/dbraw/zinc/37/69/22/1066376922.db2.gz SYEIZRGOYFBXTN-UHFFFAOYSA-N 0 0 458.558 4.789 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCCC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001361124087 1066377072 /nfs/dbraw/zinc/37/70/72/1066377072.db2.gz WRWBJTDSDQDMRG-JGCGQSQUSA-N 0 0 458.672 4.826 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC001443860414 1066377326 /nfs/dbraw/zinc/37/73/26/1066377326.db2.gz KGHVDOAOQVLMGV-UHFFFAOYSA-N 0 0 455.898 4.557 20 0 JJADRN Nc1c(I)cccc1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001443862408 1066377365 /nfs/dbraw/zinc/37/73/65/1066377365.db2.gz BMQWRUZCZMUYEY-UHFFFAOYSA-N 0 0 454.739 4.622 20 0 JJADRN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc3)o2)cc1 ZINC001443859806 1066377378 /nfs/dbraw/zinc/37/73/78/1066377378.db2.gz JNJLKNBNRZXIIN-KRWDZBQOSA-N 0 0 450.539 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC001443862624 1066377418 /nfs/dbraw/zinc/37/74/18/1066377418.db2.gz CSZCRRPMJPIHTB-OAQYLSRUSA-N 0 0 451.007 4.537 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCn1ccnc1C ZINC001361124130 1066377459 /nfs/dbraw/zinc/37/74/59/1066377459.db2.gz XRRKZRAZMAUETC-UHFFFAOYSA-N 0 0 477.613 4.735 20 0 JJADRN Cc1csc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)Cc2ccon2)n1 ZINC001361124148 1066377497 /nfs/dbraw/zinc/37/74/97/1066377497.db2.gz YJEJDBALKYITBR-UHFFFAOYSA-N 0 0 452.584 4.727 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001361124147 1066377614 /nfs/dbraw/zinc/37/76/14/1066377614.db2.gz YJAGORLQMSAPAL-OAQYLSRUSA-N 0 0 497.606 4.644 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)c1nc(C(F)(F)F)cs1 ZINC001361124719 1066378362 /nfs/dbraw/zinc/37/83/62/1066378362.db2.gz KXFQOHQVWQPJAZ-JTQLQIEISA-N 0 0 451.264 4.577 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)c1 ZINC001455275193 1066378441 /nfs/dbraw/zinc/37/84/41/1066378441.db2.gz QHLKNOGMBDGDLH-UHFFFAOYSA-N 0 0 459.930 4.680 20 0 JJADRN COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361125015 1066378546 /nfs/dbraw/zinc/37/85/46/1066378546.db2.gz OQCQDMRIAVUZKC-QGZVFWFLSA-N 0 0 452.555 4.535 20 0 JJADRN COc1ccc2cc(NC(=O)[C@@H]3Cc4c(cc(C)cc4F)N3C(=O)OC(C)(C)C)ccc2n1 ZINC001361125627 1066378741 /nfs/dbraw/zinc/37/87/41/1066378741.db2.gz ZXQPEBMASHEYHP-NRFANRHFSA-N 0 0 451.498 4.996 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC001361125087 1066378820 /nfs/dbraw/zinc/37/88/20/1066378820.db2.gz QCGAEJQSVMMCIF-MCIONIFRSA-N 0 0 459.490 4.993 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001361125715 1066379068 /nfs/dbraw/zinc/37/90/68/1066379068.db2.gz AZPDMXYGNDIEJV-XMMPIXPASA-N 0 0 493.574 4.546 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)OC ZINC001545962972 1066379321 /nfs/dbraw/zinc/37/93/21/1066379321.db2.gz NJLYBEUEOJURID-QHCPKHFHSA-N 0 0 493.652 4.840 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCN2CCOCC2)c1 ZINC001361125729 1066379186 /nfs/dbraw/zinc/37/91/86/1066379186.db2.gz BOYFDJPKHIURPT-HSZRJFAPSA-N 0 0 483.701 4.884 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCN2CCOCC2)c1 ZINC001361125730 1066379305 /nfs/dbraw/zinc/37/93/05/1066379305.db2.gz BOYFDJPKHIURPT-QHCPKHFHSA-N 0 0 483.701 4.884 20 0 JJADRN COc1cccc(C(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)c1OC(C)C ZINC001455277573 1066379389 /nfs/dbraw/zinc/37/93/89/1066379389.db2.gz XXFDFBQIJIPRPC-UHFFFAOYSA-N 0 0 456.539 4.864 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC001443875606 1066379829 /nfs/dbraw/zinc/37/98/29/1066379829.db2.gz IROAIRBKSBVVRV-KBXCAEBGSA-N 0 0 457.384 4.673 20 0 JJADRN CCN(C(=O)c1nscc1I)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001443876865 1066380061 /nfs/dbraw/zinc/38/00/61/1066380061.db2.gz VDEVMVLBIYDZES-VIFPVBQESA-N 0 0 454.255 4.990 20 0 JJADRN COC(=O)[C@@H]1C[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 ZINC001455279478 1066380086 /nfs/dbraw/zinc/38/00/86/1066380086.db2.gz UATVNAAIOUUVGR-FSSWDIPSSA-N 0 0 452.551 4.550 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361125807 1066380283 /nfs/dbraw/zinc/38/02/83/1066380283.db2.gz DYDPQFWVUSFCHM-OAQYLSRUSA-N 0 0 492.668 4.802 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2CCCO2)c1 ZINC001361125899 1066380337 /nfs/dbraw/zinc/38/03/37/1066380337.db2.gz GUDNIDHICOUBTF-HSZRJFAPSA-N 0 0 497.684 4.551 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC001443880848 1066380289 /nfs/dbraw/zinc/38/02/89/1066380289.db2.gz ISEVIJBBPXNKST-CTNGQTDRSA-N 0 0 458.942 4.580 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)OC ZINC001545963002 1066380307 /nfs/dbraw/zinc/38/03/07/1066380307.db2.gz OAAYKEVNFQWDOS-WMZOPIPTSA-N 0 0 459.616 4.603 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361125900 1066380384 /nfs/dbraw/zinc/38/03/84/1066380384.db2.gz GURJYBOVSFFKBF-UHFFFAOYSA-N 0 0 463.626 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCC(F)(F)c2cc(F)cc(F)c2)C1 ZINC001455290200 1066381138 /nfs/dbraw/zinc/38/11/38/1066381138.db2.gz VLYGQRSZFPGMNC-LJQANCHMSA-N 0 0 452.448 4.707 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888323 1066381294 /nfs/dbraw/zinc/38/12/94/1066381294.db2.gz NBMFFMFICIASEH-NRFANRHFSA-N 0 0 453.945 4.848 20 0 JJADRN COc1ccccc1-c1cc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)n[nH]1 ZINC001455299046 1066381744 /nfs/dbraw/zinc/38/17/44/1066381744.db2.gz JGAIZJSYDIGGEZ-UHFFFAOYSA-N 0 0 457.259 4.894 20 0 JJADRN COc1ccccc1-c1cc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n[nH]1 ZINC001455298137 1066381808 /nfs/dbraw/zinc/38/18/08/1066381808.db2.gz FQMPVSGBFYLYNJ-GOSISDBHSA-N 0 0 450.539 4.550 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCC(C)C)c1 ZINC001361126101 1066382630 /nfs/dbraw/zinc/38/26/30/1066382630.db2.gz KUZOXXGBVPODON-IBGZPJMESA-N 0 0 495.590 4.840 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001361126245 1066382988 /nfs/dbraw/zinc/38/29/88/1066382988.db2.gz OZILTCXQUJJYFJ-RPWUZVMVSA-N 0 0 483.701 4.882 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC2CCOCC2)c1 ZINC001361126268 1066383688 /nfs/dbraw/zinc/38/36/88/1066383688.db2.gz PFAIOSFPTKPJBY-GCJKJVERSA-N 0 0 496.574 4.872 20 0 JJADRN CS[C@H](C)CCC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001455345007 1066383736 /nfs/dbraw/zinc/38/37/36/1066383736.db2.gz FPOYRKAQVLJNTC-CQSZACIVSA-N 0 0 457.434 4.543 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCc3nc(N(C)C)sc3C2)cc1 ZINC001455347034 1066383843 /nfs/dbraw/zinc/38/38/43/1066383843.db2.gz JGBJNROQWQRAQW-UHFFFAOYSA-N 0 0 454.621 4.845 20 0 JJADRN CS[C@@H](C)CCC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001455344995 1066384009 /nfs/dbraw/zinc/38/40/09/1066384009.db2.gz FPOYRKAQVLJNTC-AWEZNQCLSA-N 0 0 457.434 4.543 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(/C=C\c2ccccc2)cs1)c1cccnc1 ZINC001443905493 1066384257 /nfs/dbraw/zinc/38/42/57/1066384257.db2.gz AEYCUMJUJQNSCT-DSTYWPJMSA-N 0 0 454.555 4.688 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1csnc1OC ZINC001455357634 1066384911 /nfs/dbraw/zinc/38/49/11/1066384911.db2.gz ZHACKWWEUAGXPM-DEOSSOPVSA-N 0 0 451.548 4.798 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455374141 1066384928 /nfs/dbraw/zinc/38/49/28/1066384928.db2.gz FKCQCTCIQWESGL-VXPBHUBDSA-N 0 0 460.615 4.669 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361126529 1066385289 /nfs/dbraw/zinc/38/52/89/1066385289.db2.gz UFXQBRBCSNQIFT-PMACEKPBSA-N 0 0 455.647 4.543 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CNC(C)=O)CC1)OC ZINC001545963197 1066385207 /nfs/dbraw/zinc/38/52/07/1066385207.db2.gz RIVTUNMGQWRCHM-NRFANRHFSA-N 0 0 485.629 4.590 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)cc21 ZINC001455393370 1066385793 /nfs/dbraw/zinc/38/57/93/1066385793.db2.gz GTJBMIHNRGSVJH-JOCHJYFZSA-N 0 0 455.400 4.833 20 0 JJADRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443922808 1066385834 /nfs/dbraw/zinc/38/58/34/1066385834.db2.gz WIEAVTSRLNINDZ-KOSHJBKYSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC001443919580 1066385937 /nfs/dbraw/zinc/38/59/37/1066385937.db2.gz ZHFVJGLINZJZJW-HSZRJFAPSA-N 0 0 452.551 4.782 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361126907 1066386298 /nfs/dbraw/zinc/38/62/98/1066386298.db2.gz BNYVOOBRHWOEDJ-ZRBLBEILSA-N 0 0 481.685 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(OC(F)F)cc1F ZINC001455403715 1066386913 /nfs/dbraw/zinc/38/69/13/1066386913.db2.gz JGMPMCWEYZCEIK-MRXNPFEDSA-N 0 0 450.457 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001455405590 1066386980 /nfs/dbraw/zinc/38/69/80/1066386980.db2.gz OOLABTANTPRWAT-BAGYTPMASA-N 0 0 472.532 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCc3ccc(C(F)(F)F)s3)ccc2C1 ZINC001455410487 1066387272 /nfs/dbraw/zinc/38/72/72/1066387272.db2.gz WJKZWECNOIOOOC-UHFFFAOYSA-N 0 0 456.486 4.826 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c(C)c1 ZINC001443947957 1066387374 /nfs/dbraw/zinc/38/73/74/1066387374.db2.gz PAWCGQLFHAGYTA-IBGZPJMESA-N 0 0 454.567 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC001455411418 1066387510 /nfs/dbraw/zinc/38/75/10/1066387510.db2.gz ZAULTFFXVOQGIW-INIZCTEOSA-N 0 0 456.493 4.592 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)NCc1ccc(C(F)(F)F)s1 ZINC001455407095 1066387615 /nfs/dbraw/zinc/38/76/15/1066387615.db2.gz MHRNQTDUZNGEBO-VWLOTQADSA-N 0 0 454.333 4.734 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c1NC(=O)c1ccncc1 ZINC001443962051 1066388196 /nfs/dbraw/zinc/38/81/96/1066388196.db2.gz IUXUDNFZGPQTGH-UHFFFAOYSA-N 0 0 452.514 4.911 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC4(CC4)C3)n2CCC(=O)NC(C)C)c1 ZINC001361127318 1066388043 /nfs/dbraw/zinc/38/80/43/1066388043.db2.gz HKCGAEXDPAHHJE-UHFFFAOYSA-N 0 0 453.631 4.584 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CSCCS2)C1 ZINC001546072516 1066388324 /nfs/dbraw/zinc/38/83/24/1066388324.db2.gz GHUORJIIIBQSQN-NTKDMRAZSA-N 0 0 495.759 4.868 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CC2(C(N)=O)CCCC2)c1 ZINC001361127479 1066388430 /nfs/dbraw/zinc/38/84/30/1066388430.db2.gz JMZUAKJULAJLJN-FQEVSTJZSA-N 0 0 467.658 4.961 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C1 ZINC001546072573 1066389177 /nfs/dbraw/zinc/38/91/77/1066389177.db2.gz HCVQMHXJKMTTQN-QHCPKHFHSA-N 0 0 463.692 4.915 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)cc1N1CCCCC1 ZINC001443968742 1066389167 /nfs/dbraw/zinc/38/91/67/1066389167.db2.gz RCNDQRQDRCKERW-UHFFFAOYSA-N 0 0 457.506 4.506 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OCCC ZINC001455439098 1066389449 /nfs/dbraw/zinc/38/94/49/1066389449.db2.gz MHVWXHOHEUEXPD-UHFFFAOYSA-N 0 0 459.608 4.651 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC001361127830 1066389934 /nfs/dbraw/zinc/38/99/34/1066389934.db2.gz OXZSWFRQOSTAKZ-NVQXNPDNSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(F)(F)F)c1 ZINC001361127874 1066390093 /nfs/dbraw/zinc/39/00/93/1066390093.db2.gz POBRLECMGOBMIZ-GOSISDBHSA-N 0 0 481.563 4.592 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001361128105 1066390300 /nfs/dbraw/zinc/39/03/00/1066390300.db2.gz SHTXOFMFKDPPDN-UUOWRZLLSA-N 0 0 493.574 4.546 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)s1 ZINC001361128107 1066390518 /nfs/dbraw/zinc/39/05/18/1066390518.db2.gz SIZYOLNYGJOOIS-AZUAARDMSA-N 0 0 496.681 4.559 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361128055 1066390547 /nfs/dbraw/zinc/39/05/47/1066390547.db2.gz RNRUCNNUEPBSCA-AREMUKBSSA-N 0 0 458.647 4.703 20 0 JJADRN COc1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC001443987404 1066390737 /nfs/dbraw/zinc/39/07/37/1066390737.db2.gz ARRIXPPBUMDHFR-JCOAXYOVSA-N 0 0 457.979 4.777 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CC(=O)NCC(F)F)c1 ZINC001361128112 1066390937 /nfs/dbraw/zinc/39/09/37/1066390937.db2.gz SJKVRYNNTLFKEK-LJQANCHMSA-N 0 0 477.600 4.543 20 0 JJADRN O=C(CCc1c2ccccc2[nH]c1-c1ccccc1)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC001443989047 1066391511 /nfs/dbraw/zinc/39/15/11/1066391511.db2.gz LQWJDZWFIPGZTK-UHFFFAOYSA-N 0 0 457.496 4.685 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2c(cccc2Br)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001455453990 1066391757 /nfs/dbraw/zinc/39/17/57/1066391757.db2.gz IILUZFBDUAFSTO-MRXNPFEDSA-N 0 0 455.230 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C2(CCCCC2)C1 ZINC001443992638 1066391742 /nfs/dbraw/zinc/39/17/42/1066391742.db2.gz YXGXTDDBLQOXNT-UHFFFAOYSA-N 0 0 451.567 4.642 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)c1ccncc1Br ZINC001455450140 1066392044 /nfs/dbraw/zinc/39/20/44/1066392044.db2.gz WPRDUZKZNFHRFR-LLVKDONJSA-N 0 0 451.162 4.747 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 ZINC001455454266 1066392107 /nfs/dbraw/zinc/39/21/07/1066392107.db2.gz JDMUGMKZPMEYLB-RUZDIDTESA-N 0 0 454.586 4.950 20 0 JJADRN C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)s1 ZINC001443993063 1066392037 /nfs/dbraw/zinc/39/20/37/1066392037.db2.gz IKCAZJDNJGGNTI-HIFRSBDPSA-N 0 0 453.402 4.996 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1 ZINC001361128518 1066392151 /nfs/dbraw/zinc/39/21/51/1066392151.db2.gz YHVJLSPEQJMGFB-JOCHJYFZSA-N 0 0 499.700 4.845 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCO[C@H](C)C2)n1 ZINC001361128349 1066392166 /nfs/dbraw/zinc/39/21/66/1066392166.db2.gz WYHPIZNQZBFPGE-HSZRJFAPSA-N 0 0 480.657 4.808 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC001443996491 1066392543 /nfs/dbraw/zinc/39/25/43/1066392543.db2.gz URBXQPAUGHDJBF-UHFFFAOYSA-N 0 0 455.243 4.538 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1)c1ccccc1 ZINC001443997936 1066392593 /nfs/dbraw/zinc/39/25/93/1066392593.db2.gz PDLNKWRNIQSDQB-QFIPXVFZSA-N 0 0 457.534 4.572 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001444001984 1066393293 /nfs/dbraw/zinc/39/32/93/1066393293.db2.gz SRRPZWTYFPESTJ-UHFFFAOYSA-N 0 0 453.461 4.812 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nnn1-c1cccc(Br)c1 ZINC001444004405 1066393386 /nfs/dbraw/zinc/39/33/86/1066393386.db2.gz SBAMVJUZGDJAPS-UHFFFAOYSA-N 0 0 454.372 4.827 20 0 JJADRN CSc1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1-c1ccccc1 ZINC001444001957 1066393501 /nfs/dbraw/zinc/39/35/01/1066393501.db2.gz SFNHBWZSVPEMPR-IBGZPJMESA-N 0 0 452.580 4.590 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)c2ccccc2)C1 ZINC001546072389 1066394147 /nfs/dbraw/zinc/39/41/47/1066394147.db2.gz DPTNXMNHTVAIBR-OREGWCPLSA-N 0 0 499.656 4.601 20 0 JJADRN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)[nH]n1 ZINC001455463349 1066394258 /nfs/dbraw/zinc/39/42/58/1066394258.db2.gz HZTZHCKTAJXWMR-PZJWPPBQSA-N 0 0 452.599 4.774 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001455461595 1066394301 /nfs/dbraw/zinc/39/43/01/1066394301.db2.gz MDHOAZVUBKKBKH-NYHFZMIOSA-N 0 0 455.020 4.693 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc1OC ZINC001455465796 1066394821 /nfs/dbraw/zinc/39/48/21/1066394821.db2.gz OUVOIVUJWKFRCO-CQSZACIVSA-N 0 0 450.377 4.723 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)c2ccccn2)c1 ZINC001361130109 1066395063 /nfs/dbraw/zinc/39/50/63/1066395063.db2.gz JKGVZTWSTNGPKC-OAQYLSRUSA-N 0 0 463.626 4.887 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1ccc(Cl)cc1 ZINC001444022538 1066395000 /nfs/dbraw/zinc/39/50/00/1066395000.db2.gz CCMLSCBRKYIVJH-GXLIZGDTSA-N 0 0 458.990 4.915 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001444022378 1066395369 /nfs/dbraw/zinc/39/53/69/1066395369.db2.gz BKWSTUWNMQNJFZ-HXUWFJFHSA-N 0 0 458.415 4.757 20 0 JJADRN CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(Cl)s1 ZINC001455470329 1066395512 /nfs/dbraw/zinc/39/55/12/1066395512.db2.gz YKFPOGKDSBGQQF-UHFFFAOYSA-N 0 0 455.967 4.730 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NOc2ccccc2F)c1 ZINC001455477225 1066395724 /nfs/dbraw/zinc/39/57/24/1066395724.db2.gz ZVXODNVVRDQUKX-UHFFFAOYSA-N 0 0 456.539 4.956 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455474231 1066395782 /nfs/dbraw/zinc/39/57/82/1066395782.db2.gz RPXAYEARGLGCKI-JLCFBVMHSA-N 0 0 450.988 4.795 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361130799 1066396260 /nfs/dbraw/zinc/39/62/60/1066396260.db2.gz RMHJIKRJMRNJAH-MOPGFXCFSA-N 0 0 465.564 4.629 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361130801 1066396315 /nfs/dbraw/zinc/39/63/15/1066396315.db2.gz RMHJIKRJMRNJAH-RBUKOAKNSA-N 0 0 465.564 4.629 20 0 JJADRN Cc1csc([C@@H]2CCN(C(=O)c3c(C)nn(Cc4cccc(Br)c4)c3C)C2)n1 ZINC001455479693 1066396546 /nfs/dbraw/zinc/39/65/46/1066396546.db2.gz DENWCDXVGSBDAL-QGZVFWFLSA-N 0 0 459.413 4.705 20 0 JJADRN Cc1csc([C@H]2CCN(C(=O)c3c(C)nn(Cc4cccc(Br)c4)c3C)C2)n1 ZINC001455479692 1066396623 /nfs/dbraw/zinc/39/66/23/1066396623.db2.gz DENWCDXVGSBDAL-KRWDZBQOSA-N 0 0 459.413 4.705 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361131071 1066397938 /nfs/dbraw/zinc/39/79/38/1066397938.db2.gz XQTCMULMZFLRSX-MOPGFXCFSA-N 0 0 497.581 4.967 20 0 JJADRN CCOc1nc2cc(C(=O)N[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccc2[nH]1 ZINC001455498315 1066397992 /nfs/dbraw/zinc/39/79/92/1066397992.db2.gz XCSDPYVKDHUEIA-FQEVSTJZSA-N 0 0 456.587 4.651 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)s2)c1 ZINC001455497263 1066398299 /nfs/dbraw/zinc/39/82/99/1066398299.db2.gz FFTVJJBHEWQHPO-IBGZPJMESA-N 0 0 457.596 4.718 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2N)CC1 ZINC001444061286 1066398562 /nfs/dbraw/zinc/39/85/62/1066398562.db2.gz GDRQXQQMXZNKPQ-ZDUSSCGKSA-N 0 0 456.306 4.569 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@H](C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361131166 1066398568 /nfs/dbraw/zinc/39/85/68/1066398568.db2.gz AQKMEVAFEFTHSG-QGZVFWFLSA-N 0 0 476.597 4.871 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)CSc1nccn1-c1ccccc1C ZINC001455500352 1066398724 /nfs/dbraw/zinc/39/87/24/1066398724.db2.gz FFQJPCJAWSQYRG-OAQYLSRUSA-N 0 0 453.633 4.988 20 0 JJADRN CNc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c1 ZINC001444064686 1066398809 /nfs/dbraw/zinc/39/88/09/1066398809.db2.gz VTWRZCJNLDCGMG-UHFFFAOYSA-N 0 0 450.713 4.983 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)c1 ZINC001444066829 1066398887 /nfs/dbraw/zinc/39/88/87/1066398887.db2.gz IOKCONWPGYIOME-HKBQPEDESA-N 0 0 453.486 4.604 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(CCC(F)(F)F)CC2CC2)cc1 ZINC001361131379 1066398878 /nfs/dbraw/zinc/39/88/78/1066398878.db2.gz GRIADNIMEWCXOE-GOSISDBHSA-N 0 0 463.548 4.795 20 0 JJADRN COCC1(N(C)C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCC1 ZINC001455507106 1066399592 /nfs/dbraw/zinc/39/95/92/1066399592.db2.gz WJKCPJSDRKDKHG-UHFFFAOYSA-N 0 0 458.624 4.734 20 0 JJADRN COc1cccc(N(CC(=O)N[C@H](c2ccccc2)C2CCOCC2)C(=O)OC(C)(C)C)c1 ZINC001444070098 1066399695 /nfs/dbraw/zinc/39/96/95/1066399695.db2.gz PMOYPXOOKSXGGR-XMMPIXPASA-N 0 0 454.567 4.721 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2CC(C)(C)O)c1 ZINC001361131666 1066399913 /nfs/dbraw/zinc/39/99/13/1066399913.db2.gz NPHMNLDAIZZVIA-IBGZPJMESA-N 0 0 460.529 4.580 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)CC1 ZINC001444075547 1066400240 /nfs/dbraw/zinc/40/02/40/1066400240.db2.gz LESQFCJEEDKQJR-HSZRJFAPSA-N 0 0 451.521 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)Cc2[nH]nc3c2CCCC3)C1)C1CCCC1 ZINC001455508144 1066400266 /nfs/dbraw/zinc/40/02/66/1066400266.db2.gz CVFRYQSAYODJET-GCJKJVERSA-N 0 0 458.647 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)Cc2[nH]nc3c2CCCC3)C1)C1CCCC1 ZINC001455508170 1066400319 /nfs/dbraw/zinc/40/03/19/1066400319.db2.gz CVFRYQSAYODJET-PGRDOPGGSA-N 0 0 458.647 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)C[C@](C)(O)c2ccccc2)C1)C1CCCC1 ZINC001455508504 1066400344 /nfs/dbraw/zinc/40/03/44/1066400344.db2.gz FJILQXXUGQFDTH-LXHIVTORSA-N 0 0 458.643 4.996 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC(C)(C)O)c1 ZINC001361131741 1066400705 /nfs/dbraw/zinc/40/07/05/1066400705.db2.gz PHROQNMFIIHUSL-HDICACEKSA-N 0 0 450.574 4.787 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)/C=C(/C)c3ccccc3C)c2)cc1 ZINC001444081078 1066400707 /nfs/dbraw/zinc/40/07/07/1066400707.db2.gz NJADWBBLBFAVNW-CYVLTUHYSA-N 0 0 450.560 4.524 20 0 JJADRN C[S@](=O)Cc1cccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1 ZINC001444078268 1066400930 /nfs/dbraw/zinc/40/09/30/1066400930.db2.gz UJEVGAOLTKWDMB-YTTGMZPUSA-N 0 0 456.608 4.771 20 0 JJADRN COc1ccc(SCCC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1OC ZINC001361131904 1066400827 /nfs/dbraw/zinc/40/08/27/1066400827.db2.gz BZBGWMHEXSPLPN-UHFFFAOYSA-N 0 0 452.532 4.716 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001361131727 1066400843 /nfs/dbraw/zinc/40/08/43/1066400843.db2.gz PACFPCXNUAFDSP-HNNXBMFYSA-N 0 0 480.560 4.640 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 ZINC001455509928 1066400909 /nfs/dbraw/zinc/40/09/09/1066400909.db2.gz BLQLRUPMTSMEGN-VDZJLULYSA-N 0 0 458.521 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2N)C1)C1CCCC1 ZINC001455512084 1066401727 /nfs/dbraw/zinc/40/17/27/1066401727.db2.gz UGMYYIIAFRSJJY-MGPUTAFESA-N 0 0 451.558 4.873 20 0 JJADRN CSCc1cccnc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444084491 1066402244 /nfs/dbraw/zinc/40/22/44/1066402244.db2.gz TUPXDYSJIWBFLV-UHFFFAOYSA-N 0 0 450.539 4.926 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3ccn(C)n3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361132446 1066402275 /nfs/dbraw/zinc/40/22/75/1066402275.db2.gz YOINVEBPTCBONY-UHFFFAOYSA-N 0 0 475.597 4.997 20 0 JJADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cccnc1SCc1cccc(Br)c1)CC2 ZINC001455512991 1066402374 /nfs/dbraw/zinc/40/23/74/1066402374.db2.gz JDCVEIYJGGSPHO-GCJKJVERSA-N 0 0 475.408 4.694 20 0 JJADRN CCc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)CC2)cc1 ZINC001361132600 1066403224 /nfs/dbraw/zinc/40/32/24/1066403224.db2.gz QLLDVASHKFOFDL-UHFFFAOYSA-N 0 0 451.014 4.905 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC001455518913 1066403234 /nfs/dbraw/zinc/40/32/34/1066403234.db2.gz SLQBEABTYMZQNT-UYAOXDASSA-N 0 0 450.501 4.934 20 0 JJADRN O=C(NCCCCC[NH+]1CCCCC1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001444084894 1066403260 /nfs/dbraw/zinc/40/32/60/1066403260.db2.gz VHPIZKKGUVJJFA-UHFFFAOYSA-N 0 0 450.004 4.745 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001361132810 1066403833 /nfs/dbraw/zinc/40/38/33/1066403833.db2.gz BXOWLMYMTRYITO-RCOXNQKVSA-N 0 0 451.007 4.960 20 0 JJADRN COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)c1 ZINC001455531705 1066404945 /nfs/dbraw/zinc/40/49/45/1066404945.db2.gz MTGAWCCLKSWHQB-ZUOKHONESA-N 0 0 456.366 4.654 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCOC2)cc1 ZINC001361134255 1066405493 /nfs/dbraw/zinc/40/54/93/1066405493.db2.gz HXICZSPIAAKOJF-NFBKMPQASA-N 0 0 483.657 4.730 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccoc2)cc1 ZINC001361134150 1066405552 /nfs/dbraw/zinc/40/55/52/1066405552.db2.gz GZDRFDPASRFMMO-REWPJTCUSA-N 0 0 495.624 4.928 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCOC2)cc1 ZINC001361134258 1066405576 /nfs/dbraw/zinc/40/55/76/1066405576.db2.gz HXICZSPIAAKOJF-REWPJTCUSA-N 0 0 483.657 4.730 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361134323 1066405583 /nfs/dbraw/zinc/40/55/83/1066405583.db2.gz IZAIHIKHRIBVHL-GOSISDBHSA-N 0 0 483.542 4.765 20 0 JJADRN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001455533216 1066405775 /nfs/dbraw/zinc/40/57/75/1066405775.db2.gz TZNDPIVTGIETSE-NHCUHLMSSA-N 0 0 476.932 4.920 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)c3csc(-c4c(F)cccc4F)n3)CCC[C@@H]12 ZINC001455533094 1066405798 /nfs/dbraw/zinc/40/57/98/1066405798.db2.gz QEGXPLPWVWJYPT-UZUQRXQVSA-N 0 0 463.550 4.998 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134542 1066406248 /nfs/dbraw/zinc/40/62/48/1066406248.db2.gz LEJCAWFTJGWALO-LEWJYISDSA-N 0 0 476.625 4.803 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001444097446 1066406349 /nfs/dbraw/zinc/40/63/49/1066406349.db2.gz HAUVAYOORWKZDA-UGDMGKLASA-N 0 0 459.011 4.913 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361134490 1066406308 /nfs/dbraw/zinc/40/63/08/1066406308.db2.gz KHSNNYYUPYFJOV-OAQYLSRUSA-N 0 0 490.652 4.870 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3CCN(C4=NCC(C)(C)S4)CC3)nnc2C(C)(C)C)cc1 ZINC001361134428 1066406347 /nfs/dbraw/zinc/40/63/47/1066406347.db2.gz DIHGBFHHHKATFG-LJQANCHMSA-N 0 0 454.688 4.691 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC001361134585 1066406577 /nfs/dbraw/zinc/40/65/77/1066406577.db2.gz FHRPIYGACYLOQS-QRVBRYPASA-N 0 0 469.680 4.712 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001361134750 1066406634 /nfs/dbraw/zinc/40/66/34/1066406634.db2.gz GNNRRLUHTXDVPF-MISYRCLQSA-N 0 0 452.521 4.789 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCC2(CCOCC2)C1)OC ZINC001545964432 1066406896 /nfs/dbraw/zinc/40/68/96/1066406896.db2.gz DKHPFNJEPLZBPK-KRWDZBQOSA-N 0 0 481.410 4.669 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ccc(C)cc3)CC2)oc1C ZINC001361134919 1066407660 /nfs/dbraw/zinc/40/76/60/1066407660.db2.gz NZPRPELIPQIYDL-FQEVSTJZSA-N 0 0 464.658 4.906 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545964457 1066407795 /nfs/dbraw/zinc/40/77/95/1066407795.db2.gz DZMODZKIBDVKHE-LPHOPBHVSA-N 0 0 480.371 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)(c2ccccc2)CC1 ZINC001444115277 1066407815 /nfs/dbraw/zinc/40/78/15/1066407815.db2.gz KFHNCBOGDXEWFH-IRLDBZIGSA-N 0 0 458.643 4.913 20 0 JJADRN C[C@@H]1Cc2cc(CNC(=O)c3ccc(NC(=O)c4ccc(Br)o4)cc3)ccc2O1 ZINC001455537101 1066407837 /nfs/dbraw/zinc/40/78/37/1066407837.db2.gz LXVGBDGBQFLNMV-CYBMUJFWSA-N 0 0 455.308 4.548 20 0 JJADRN Cc1cc(CN(C)C(=O)CCC(=O)c2cnn(C)c2)cc(C)c1OCc1ccccc1Cl ZINC001444109911 1066407838 /nfs/dbraw/zinc/40/78/38/1066407838.db2.gz VWQCJBPWFKCRDV-UHFFFAOYSA-N 0 0 453.970 4.891 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(Cl)cc(Cl)c2F)cc1OCC ZINC001455539804 1066407896 /nfs/dbraw/zinc/40/78/96/1066407896.db2.gz CUELGQQNKPJHQM-LBPRGKRZSA-N 0 0 457.329 4.537 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)ccc1Cl ZINC001444120164 1066408672 /nfs/dbraw/zinc/40/86/72/1066408672.db2.gz JZKFZUGVLBHQCM-SFHVURJKSA-N 0 0 456.942 4.672 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)C1 ZINC001546073556 1066408875 /nfs/dbraw/zinc/40/88/75/1066408875.db2.gz VTWDUGAILDCNTI-KBMIEXCESA-N 0 0 463.667 4.692 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC[C@@H]2C)cc1 ZINC001361135561 1066409387 /nfs/dbraw/zinc/40/93/87/1066409387.db2.gz RZCYRVDFOFSSFU-RTWAWAEBSA-N 0 0 483.657 4.730 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545964514 1066409493 /nfs/dbraw/zinc/40/94/93/1066409493.db2.gz FZGBTNALRGEXSR-SBUREZEXSA-N 0 0 493.077 4.630 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC001455556525 1066409386 /nfs/dbraw/zinc/40/93/86/1066409386.db2.gz YZGQDPMSENMCOM-VWLOTQADSA-N 0 0 452.620 4.720 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CO)CC2)cc1 ZINC001361135206 1066409398 /nfs/dbraw/zinc/40/93/98/1066409398.db2.gz LJEDVWLJEBXNAT-REWPJTCUSA-N 0 0 483.657 4.671 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CC(C)(C)C)cc1 ZINC001361135293 1066409463 /nfs/dbraw/zinc/40/94/63/1066409463.db2.gz QYZSPXUQEDJWCK-IBGZPJMESA-N 0 0 468.671 4.833 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361136194 1066410274 /nfs/dbraw/zinc/41/02/74/1066410274.db2.gz VUWPLHRMTCUNNH-QGZVFWFLSA-N 0 0 469.515 4.841 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001455559598 1066410279 /nfs/dbraw/zinc/41/02/79/1066410279.db2.gz NWZUKKBZVDQEKI-VQTJNVASSA-N 0 0 458.002 4.642 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361136196 1066410293 /nfs/dbraw/zinc/41/02/93/1066410293.db2.gz VWFUAUSBZYYZOD-LQWHRVPQSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2ccc(C)cc2)o1 ZINC001361136217 1066410406 /nfs/dbraw/zinc/41/04/06/1066410406.db2.gz WCPDTPCNBWDLTB-FCEUIQTBSA-N 0 0 451.615 4.504 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3COC(C)(C)C)C2)c2ccccc12 ZINC001455566081 1066410926 /nfs/dbraw/zinc/41/09/26/1066410926.db2.gz CGKFBNKMWFRFPE-WOJBJXKFSA-N 0 0 452.595 4.507 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361136817 1066411769 /nfs/dbraw/zinc/41/17/69/1066411769.db2.gz USWVIOPZDZIRTA-LJQANCHMSA-N 0 0 469.655 4.633 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361136815 1066411781 /nfs/dbraw/zinc/41/17/81/1066411781.db2.gz USWVIOPZDZIRTA-IBGZPJMESA-N 0 0 469.655 4.633 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001455574537 1066412260 /nfs/dbraw/zinc/41/22/60/1066412260.db2.gz ZBLPACRPXLODIX-HPAIXVDQSA-N 0 0 470.610 4.583 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)o1 ZINC001361137175 1066412380 /nfs/dbraw/zinc/41/23/80/1066412380.db2.gz YGBKAQBOTHSLKW-FQEVSTJZSA-N 0 0 477.531 4.617 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001361137931 1066412909 /nfs/dbraw/zinc/41/29/09/1066412909.db2.gz MXKRGAOUGPDLGK-UHFFFAOYSA-N 0 0 452.761 4.819 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@]2(C)CCOc3ccccc32)cc1 ZINC001361137394 1066413061 /nfs/dbraw/zinc/41/30/61/1066413061.db2.gz ASIWPBBKSRAUOV-VWLOTQADSA-N 0 0 451.544 4.951 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545964778 1066413236 /nfs/dbraw/zinc/41/32/36/1066413236.db2.gz JZCCKPZODFNGHR-MSOLQXFVSA-N 0 0 494.036 4.526 20 0 JJADRN Cn1cc(Br)cc1C(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455585370 1066413249 /nfs/dbraw/zinc/41/32/49/1066413249.db2.gz OPDMIPJWCRVTOW-UHFFFAOYSA-N 0 0 456.425 4.725 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545964780 1066413252 /nfs/dbraw/zinc/41/32/52/1066413252.db2.gz JZCCKPZODFNGHR-ROUUACIJSA-N 0 0 494.036 4.526 20 0 JJADRN Cc1[nH]nc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1-c1cccnc1 ZINC001455598883 1066413848 /nfs/dbraw/zinc/41/38/48/1066413848.db2.gz JYOGFXAMJWNAID-UHFFFAOYSA-N 0 0 458.469 4.715 20 0 JJADRN COc1cccc2[nH]cc(CCNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)c21 ZINC001455598191 1066414028 /nfs/dbraw/zinc/41/40/28/1066414028.db2.gz OTVYQDBAYUVJGS-UZUQRXQVSA-N 0 0 451.567 4.737 20 0 JJADRN Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(F)cc2F)N2CCOCC2)o1 ZINC001361139189 1066414485 /nfs/dbraw/zinc/41/44/85/1066414485.db2.gz GBQFUIZJZIZDFV-JOCHJYFZSA-N 0 0 487.595 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)(c2ccccc2)C1 ZINC001455606534 1066414547 /nfs/dbraw/zinc/41/45/47/1066414547.db2.gz ONSFEFMTICHKDK-DWXRJYCRSA-N 0 0 456.533 4.860 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)cc1 ZINC001444141020 1066414575 /nfs/dbraw/zinc/41/45/75/1066414575.db2.gz SMBJQSYSTKEUFT-JLTOFOAXSA-N 0 0 460.456 4.922 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001455604168 1066414621 /nfs/dbraw/zinc/41/46/21/1066414621.db2.gz YTKPJIHPSZVIGZ-UHFFFAOYSA-N 0 0 451.546 4.602 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC001455601854 1066414675 /nfs/dbraw/zinc/41/46/75/1066414675.db2.gz BXWNYSWSYUUINY-SFHVURJKSA-N 0 0 458.183 4.682 20 0 JJADRN Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)N2CCOCC2)cc1 ZINC001361139494 1066415122 /nfs/dbraw/zinc/41/51/22/1066415122.db2.gz KQUMDADFJNYWMM-RPWUZVMVSA-N 0 0 485.742 4.826 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)CO1 ZINC001455618267 1066415849 /nfs/dbraw/zinc/41/58/49/1066415849.db2.gz DCAYHUCZUNIMEG-HUUCEWRRSA-N 0 0 452.523 4.638 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](CC)O[C@@H](C)C1)Oc1ccccc1F ZINC001545965004 1066416131 /nfs/dbraw/zinc/41/61/31/1066416131.db2.gz OAKAQRXCODXLMO-QXAKKESOSA-N 0 0 473.980 4.994 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001546074438 1066416395 /nfs/dbraw/zinc/41/63/95/1066416395.db2.gz QSRSGAKCBJMOOD-UHOSZYNNSA-N 0 0 456.612 4.961 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC001455620713 1066416552 /nfs/dbraw/zinc/41/65/52/1066416552.db2.gz YKMZXWGQQJRGBQ-UHFFFAOYSA-N 0 0 458.486 4.936 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1OCC ZINC001444145669 1066417046 /nfs/dbraw/zinc/41/70/46/1066417046.db2.gz LGIRSIXJGPDDAQ-KRWDZBQOSA-N 0 0 453.023 4.932 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(Br)C1)OC ZINC001545965060 1066417197 /nfs/dbraw/zinc/41/71/97/1066417197.db2.gz PAUAFFXIMYGFNY-HNNXBMFYSA-N 0 0 455.784 4.521 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001444146955 1066417890 /nfs/dbraw/zinc/41/78/90/1066417890.db2.gz OIXVXLKOPDZHDS-CQSZACIVSA-N 0 0 452.382 4.971 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(Cl)c1 ZINC001444146870 1066418048 /nfs/dbraw/zinc/41/80/48/1066418048.db2.gz FAOFKOVMPXQKBK-UHFFFAOYSA-N 0 0 459.886 4.911 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@](C)(CC)c3ccccc3)cc2)cc1 ZINC001444151428 1066418817 /nfs/dbraw/zinc/41/88/17/1066418817.db2.gz DRBYVFJSRADQEX-RUZDIDTESA-N 0 0 452.576 4.941 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)n3Cc3cccc(Br)n3)CC2)c1 ZINC001361140772 1066418829 /nfs/dbraw/zinc/41/88/29/1066418829.db2.gz GQZBKUJAQMPHGU-UHFFFAOYSA-N 0 0 469.431 4.551 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@](C)(CC)c3ccccc3)cc2)cc1 ZINC001444151430 1066418888 /nfs/dbraw/zinc/41/88/88/1066418888.db2.gz DRBYVFJSRADQEX-VWLOTQADSA-N 0 0 452.576 4.941 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C[C@@H]1CC ZINC001455649296 1066419466 /nfs/dbraw/zinc/41/94/66/1066419466.db2.gz BSEPVDIWRWYROV-NPMXOYFQSA-N 0 0 450.457 4.785 20 0 JJADRN CN(CCCC(=O)NCc1cc(C(F)(F)F)ccc1Br)C(=O)OC(C)(C)C ZINC001455648962 1066419479 /nfs/dbraw/zinc/41/94/79/1066419479.db2.gz KFNRQMJFRVPSIW-UHFFFAOYSA-N 0 0 453.299 4.731 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)C[C@@H]1CC ZINC001455650950 1066419549 /nfs/dbraw/zinc/41/95/49/1066419549.db2.gz DILVYPVCZRXEGL-NPMXOYFQSA-N 0 0 477.374 4.937 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](CC)C3)c2)cc1 ZINC001444155323 1066420085 /nfs/dbraw/zinc/42/00/85/1066420085.db2.gz WTHMUERVNBUZRG-UGKGYDQZSA-N 0 0 458.624 4.778 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001361141586 1066420756 /nfs/dbraw/zinc/42/07/56/1066420756.db2.gz QKKQUDYONPSZHA-CABCVRRESA-N 0 0 458.356 4.954 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001444157182 1066420881 /nfs/dbraw/zinc/42/08/81/1066420881.db2.gz GMVFTZPFUCEUPO-UHFFFAOYSA-N 0 0 451.405 4.801 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001361141589 1066420884 /nfs/dbraw/zinc/42/08/84/1066420884.db2.gz QKKQUDYONPSZHA-LSDHHAIUSA-N 0 0 458.356 4.954 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cnn1-c1ccccc1Cl ZINC001361141742 1066421856 /nfs/dbraw/zinc/42/18/56/1066421856.db2.gz RWFXBCWOEBWWKK-AWEZNQCLSA-N 0 0 451.914 4.638 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1)Oc1cccc(F)c1 ZINC001545965420 1066421949 /nfs/dbraw/zinc/42/19/49/1066421949.db2.gz XHHLYBSDEXKBMI-NRFANRHFSA-N 0 0 488.007 4.979 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001361141724 1066421996 /nfs/dbraw/zinc/42/19/96/1066421996.db2.gz RJWNQHLWIUDBAM-CRAIPNDOSA-N 0 0 452.523 4.558 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)Oc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC001361141787 1066422417 /nfs/dbraw/zinc/42/24/17/1066422417.db2.gz SZYAPUOWRCKLKB-UHFFFAOYSA-N 0 0 451.832 4.746 20 0 JJADRN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001455679351 1066423510 /nfs/dbraw/zinc/42/35/10/1066423510.db2.gz RXGCRZGAEIONNC-KRWDZBQOSA-N 0 0 450.347 4.888 20 0 JJADRN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001455681858 1066423567 /nfs/dbraw/zinc/42/35/67/1066423567.db2.gz ZKMOQJOUHNYWPB-XMMPIXPASA-N 0 0 452.938 4.619 20 0 JJADRN O=C(CSCc1ccc(Cl)cc1Cl)N1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001455685177 1066424166 /nfs/dbraw/zinc/42/41/66/1066424166.db2.gz CPHMJIAMMGKWGU-UHFFFAOYSA-N 0 0 451.379 4.541 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001361142484 1066424209 /nfs/dbraw/zinc/42/42/09/1066424209.db2.gz AGCCLLRFXOWSMC-LEWJYISDSA-N 0 0 458.649 4.574 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)cn1 ZINC001455694856 1066424306 /nfs/dbraw/zinc/42/43/06/1066424306.db2.gz TYTDAHBAUFLFJK-UHFFFAOYSA-N 0 0 451.331 4.514 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546075123 1066424327 /nfs/dbraw/zinc/42/43/27/1066424327.db2.gz HZGJELHYCCUJFJ-FQEVSTJZSA-N 0 0 450.534 4.608 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)(C)CCCc2ccccc2)cc1 ZINC001444168442 1066424821 /nfs/dbraw/zinc/42/48/21/1066424821.db2.gz VLKNQRCBNVCGPX-HSZRJFAPSA-N 0 0 454.636 4.766 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001455702697 1066424656 /nfs/dbraw/zinc/42/46/56/1066424656.db2.gz ZNZIUEJXDGFITD-LEWJYISDSA-N 0 0 452.352 4.580 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001455700893 1066424724 /nfs/dbraw/zinc/42/47/24/1066424724.db2.gz PPJCUPHVSODGCB-UHFFFAOYSA-N 0 0 455.740 4.512 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001455696708 1066424797 /nfs/dbraw/zinc/42/47/97/1066424797.db2.gz ALUBCKMKKIQEFB-HNNXBMFYSA-N 0 0 458.385 4.518 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@H]1c2ccccc2OC[C@H]1F)NC(=O)OC(C)(C)C ZINC001455705976 1066424920 /nfs/dbraw/zinc/42/49/20/1066424920.db2.gz HATNQXNEPDEIJR-PWHSHALESA-N 0 0 458.530 4.629 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)c1cc(F)c(Br)cc1F)CC2 ZINC001455714150 1066425464 /nfs/dbraw/zinc/42/54/64/1066425464.db2.gz AUMGRFCWXNRFMP-HXUWFJFHSA-N 0 0 452.295 4.894 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC001455714215 1066425550 /nfs/dbraw/zinc/42/55/50/1066425550.db2.gz BEIKHXLBATWSNK-CVDCTZTESA-N 0 0 450.362 4.970 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCNC(=O)c2ccco2)c1 ZINC001361143954 1066425551 /nfs/dbraw/zinc/42/55/51/1066425551.db2.gz AUYVDXXDXJMKGM-WIYYLYMNSA-N 0 0 465.598 4.512 20 0 JJADRN COC(=O)c1ccc(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c(F)c1 ZINC001361144120 1066425599 /nfs/dbraw/zinc/42/55/99/1066425599.db2.gz IOLRZPATODRREN-UHFFFAOYSA-N 0 0 457.885 4.654 20 0 JJADRN COC(=O)c1ccccc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001444171388 1066425523 /nfs/dbraw/zinc/42/55/23/1066425523.db2.gz JGUAMVVTOSCHDF-UHFFFAOYSA-N 0 0 456.420 4.674 20 0 JJADRN CCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001455708120 1066425578 /nfs/dbraw/zinc/42/55/78/1066425578.db2.gz ZWPSYZJDSKEXSI-ROUUACIJSA-N 0 0 455.640 4.516 20 0 JJADRN CCOC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001444171924 1066425693 /nfs/dbraw/zinc/42/56/93/1066425693.db2.gz PRNGVIOVAOICRC-CQSZACIVSA-N 0 0 451.350 4.840 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCC2=CCCCC2)c1 ZINC001361144553 1066426823 /nfs/dbraw/zinc/42/68/23/1066426823.db2.gz JHLITDRCLHRWQY-RTWAWAEBSA-N 0 0 474.671 4.622 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001455717524 1066426830 /nfs/dbraw/zinc/42/68/30/1066426830.db2.gz UGAFTDHOPLLVQZ-WWOHXHCDSA-N 0 0 453.535 4.801 20 0 JJADRN CCCCCCOCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180660 1066426848 /nfs/dbraw/zinc/42/68/48/1066426848.db2.gz SVSCPWJGUBJLKI-GOSISDBHSA-N 0 0 450.377 4.683 20 0 JJADRN O=C(C[C@H]1CCCC1(F)F)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180671 1066426942 /nfs/dbraw/zinc/42/69/42/1066426942.db2.gz TVASBOGKRQWKIU-ZBFHGGJFSA-N 0 0 454.315 4.912 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC001444181209 1066427002 /nfs/dbraw/zinc/42/70/02/1066427002.db2.gz UZFDUPOFLJIOIC-JOCHJYFZSA-N 0 0 450.608 4.533 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545965519 1066427576 /nfs/dbraw/zinc/42/75/76/1066427576.db2.gz YUSVPSVCOIKKND-WBVHZDCISA-N 0 0 491.961 4.873 20 0 JJADRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001444197641 1066428318 /nfs/dbraw/zinc/42/83/18/1066428318.db2.gz VCSMDUOSGHQLFO-UHFFFAOYSA-N 0 0 452.964 4.876 20 0 JJADRN C[C@@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)c1nc2ccccc2s1 ZINC001444200583 1066428334 /nfs/dbraw/zinc/42/83/34/1066428334.db2.gz NPIDTUMBYVIEHV-CQSZACIVSA-N 0 0 456.568 4.890 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001361145524 1066428711 /nfs/dbraw/zinc/42/87/11/1066428711.db2.gz AHENMGVWRSFCAH-UHFFFAOYSA-N 0 0 498.628 4.582 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)n1 ZINC001444205063 1066429167 /nfs/dbraw/zinc/42/91/67/1066429167.db2.gz CHUOSSXHTXGGIH-QGZVFWFLSA-N 0 0 459.978 4.620 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001455768185 1066429171 /nfs/dbraw/zinc/42/91/71/1066429171.db2.gz JFHUGNJDSNWKAS-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)ccc2C)n1CC1CC(C)(C)C1 ZINC001361145695 1066429492 /nfs/dbraw/zinc/42/94/92/1066429492.db2.gz GLMJEQKSVZCDKA-UHFFFAOYSA-N 0 0 450.631 4.897 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(Br)c2)C1 ZINC001546075938 1066429835 /nfs/dbraw/zinc/42/98/35/1066429835.db2.gz YJINZWFYPAKHBN-XMMPIXPASA-N 0 0 484.442 4.904 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(C)(C)C)c2)cc1 ZINC001444211010 1066429993 /nfs/dbraw/zinc/42/99/93/1066429993.db2.gz AAIUDVOENMXKBC-UHFFFAOYSA-N 0 0 454.548 4.926 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2c(C)noc2C)s1 ZINC001361145825 1066430315 /nfs/dbraw/zinc/43/03/15/1066430315.db2.gz KKBHWMCAUAEQIZ-UHFFFAOYSA-N 0 0 466.611 4.837 20 0 JJADRN CCCc1ccc(C(=O)CCC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001455787252 1066430908 /nfs/dbraw/zinc/43/09/08/1066430908.db2.gz NAYVQOBFUIDQPG-UHFFFAOYSA-N 0 0 454.368 4.867 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C)n1CCCN1CCCCCC1=O ZINC001361145996 1066430798 /nfs/dbraw/zinc/43/07/98/1066430798.db2.gz OKGXQCUDMKRLRH-UHFFFAOYSA-N 0 0 479.625 4.804 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)s2)cc1 ZINC001444215310 1066431092 /nfs/dbraw/zinc/43/10/92/1066431092.db2.gz LCIHGMAQFAPMNV-IFXJQAMLSA-N 0 0 459.612 4.998 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CCCN2CCOC2=O)c1 ZINC001361145980 1066431080 /nfs/dbraw/zinc/43/10/80/1066431080.db2.gz ODVQMSPLXKSBFW-UHFFFAOYSA-N 0 0 490.029 4.668 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CC[C@@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC001455789364 1066431602 /nfs/dbraw/zinc/43/16/02/1066431602.db2.gz NMSMJKQQTXDBDZ-OAQYLSRUSA-N 0 0 455.496 4.535 20 0 JJADRN Cc1nc2ccc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc3cccc(Cl)c3)cc2n1C ZINC001455796255 1066432353 /nfs/dbraw/zinc/43/23/53/1066432353.db2.gz WZRYYSKUMPGBCB-UHFFFAOYSA-N 0 0 456.974 4.702 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545966274 1066432176 /nfs/dbraw/zinc/43/21/76/1066432176.db2.gz BFOJYARXESLRDK-IBGZPJMESA-N 0 0 485.629 4.646 20 0 JJADRN CO[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC001455795699 1066432392 /nfs/dbraw/zinc/43/23/92/1066432392.db2.gz VSTPHFRFUWLKCH-FQEVSTJZSA-N 0 0 450.938 4.720 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCOc2cccc(C(C)(C)C)c2)cc1 ZINC001444245325 1066432933 /nfs/dbraw/zinc/43/29/33/1066432933.db2.gz FZOIIBAQXHNWNW-DEOSSOPVSA-N 0 0 453.627 4.702 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)c1C ZINC001546076271 1066432973 /nfs/dbraw/zinc/43/29/73/1066432973.db2.gz JZGLJEZDTGYRRW-LJQANCHMSA-N 0 0 458.624 4.558 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)c1 ZINC001361148115 1066432950 /nfs/dbraw/zinc/43/29/50/1066432950.db2.gz AFRFWQCHECKALZ-FQEVSTJZSA-N 0 0 483.682 4.943 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCCOc2cccc(C(C)(C)C)c2)cc1 ZINC001444245327 1066433015 /nfs/dbraw/zinc/43/30/15/1066433015.db2.gz FZOIIBAQXHNWNW-XMMPIXPASA-N 0 0 453.627 4.702 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC001455804797 1066433614 /nfs/dbraw/zinc/43/36/14/1066433614.db2.gz AOLCTKLHUGNZJA-FGZHOGPDSA-N 0 0 456.512 4.590 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2CCOC2CCCCCC2)c1 ZINC001361148211 1066433688 /nfs/dbraw/zinc/43/36/88/1066433688.db2.gz DMQKDAPLXFXQMG-UHFFFAOYSA-N 0 0 464.614 4.640 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC001444247107 1066433828 /nfs/dbraw/zinc/43/38/28/1066433828.db2.gz HRISEFOMNDROLE-MJGOQNOKSA-N 0 0 456.587 4.670 20 0 JJADRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(Br)cc(Br)c1N ZINC001444246387 1066433959 /nfs/dbraw/zinc/43/39/59/1066433959.db2.gz HCDSCMWQHKCNRS-JQWIXIFHSA-N 0 0 456.153 4.951 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(Cl)cc(C)c2N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444248321 1066434444 /nfs/dbraw/zinc/43/44/44/1066434444.db2.gz MUISRQZFCKTUKE-HSZRJFAPSA-N 0 0 456.995 4.770 20 0 JJADRN COc1cc(C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc2c1O[C@@H](C)C2 ZINC001455807702 1066434422 /nfs/dbraw/zinc/43/44/22/1066434422.db2.gz OFBBUYBWOQVNBG-ZWKOTPCHSA-N 0 0 451.563 4.960 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccsc3)n2CCCc2cnn(C)c2)c1 ZINC001361148273 1066434398 /nfs/dbraw/zinc/43/43/98/1066434398.db2.gz GATGBCCCXIJTAQ-UHFFFAOYSA-N 0 0 450.612 4.538 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361148564 1066435084 /nfs/dbraw/zinc/43/50/84/1066435084.db2.gz OXKUKIWVBDAVPZ-WMZHIEFXSA-N 0 0 455.628 4.628 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCc2ccccn2)c1 ZINC001361148446 1066435113 /nfs/dbraw/zinc/43/51/13/1066435113.db2.gz KUCYUWXZLKCAIN-UHFFFAOYSA-N 0 0 471.609 4.661 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001455808947 1066435239 /nfs/dbraw/zinc/43/52/39/1066435239.db2.gz OJWKIIMRBTXJQO-OXQOHEQNSA-N 0 0 452.526 4.579 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001444250081 1066435307 /nfs/dbraw/zinc/43/53/07/1066435307.db2.gz VAQQOCCAOIQURQ-VQIMIIECSA-N 0 0 457.546 4.946 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001455808944 1066435411 /nfs/dbraw/zinc/43/54/11/1066435411.db2.gz OJWKIIMRBTXJQO-OXJNMPFZSA-N 0 0 452.526 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001444249853 1066435396 /nfs/dbraw/zinc/43/53/96/1066435396.db2.gz UFYODTWJKVFYFD-KRWDZBQOSA-N 0 0 452.580 4.730 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361148565 1066435650 /nfs/dbraw/zinc/43/56/50/1066435650.db2.gz OXKUKIWVBDAVPZ-XXBNENTESA-N 0 0 455.628 4.628 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cccs3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361148688 1066435843 /nfs/dbraw/zinc/43/58/43/1066435843.db2.gz SMDQNSDSUVNYEB-UHFFFAOYSA-N 0 0 481.666 4.820 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455810860 1066436009 /nfs/dbraw/zinc/43/60/09/1066436009.db2.gz UQMGMAYHJSHIAX-SVFBPWRDSA-N 0 0 467.610 4.854 20 0 JJADRN CC[C@](C)(NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)c1nc(C)cs1 ZINC001444255990 1066436784 /nfs/dbraw/zinc/43/67/84/1066436784.db2.gz CUKXNSVWFIAUGT-QHCPKHFHSA-N 0 0 457.621 4.924 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455812791 1066436894 /nfs/dbraw/zinc/43/68/94/1066436894.db2.gz LTFVZHPPOPDPED-JSXRDJHFSA-N 0 0 481.678 4.669 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455814687 1066436905 /nfs/dbraw/zinc/43/69/05/1066436905.db2.gz XVERFLHZAZHDTQ-ZIAGYGMSSA-N 0 0 463.928 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ccc(O[C@@H]3CC3(F)F)cc1)C2 ZINC001455816252 1066437468 /nfs/dbraw/zinc/43/74/68/1066437468.db2.gz HNZUZOQRNNKAPA-AUSIDOKSSA-N 0 0 450.526 4.726 20 0 JJADRN CCN(CC)C(=O)N1CCN(C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)CC1 ZINC001444262264 1066437636 /nfs/dbraw/zinc/43/76/36/1066437636.db2.gz NOSAYRLXNBVWIB-UHFFFAOYSA-N 0 0 457.625 4.629 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)s1 ZINC001444259295 1066437787 /nfs/dbraw/zinc/43/77/87/1066437787.db2.gz GLCHQFXYFWBYOI-UHFFFAOYSA-N 0 0 453.446 4.947 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3CCOCC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361148944 1066438201 /nfs/dbraw/zinc/43/82/01/1066438201.db2.gz CHWLUNUKVGDQSD-NHCUHLMSSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1cn(CC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)nc1C(F)(F)F ZINC001444262750 1066438339 /nfs/dbraw/zinc/43/83/39/1066438339.db2.gz OHDLPTIBRDJSMI-UHFFFAOYSA-N 0 0 450.288 4.835 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@H](c3c(F)cccc3F)N(C)C)c2)n1 ZINC001444263663 1066438507 /nfs/dbraw/zinc/43/85/07/1066438507.db2.gz PYTLYCJPMLHWSH-HXUWFJFHSA-N 0 0 459.928 4.801 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361149183 1066438720 /nfs/dbraw/zinc/43/87/20/1066438720.db2.gz LLZKDEGCSZVTQQ-SFHVURJKSA-N 0 0 481.563 4.557 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1cc3c([nH]c1=O)CCC(C)(C)C3)C2 ZINC001455823317 1066438825 /nfs/dbraw/zinc/43/88/25/1066438825.db2.gz IZRHHKSTPAKZNM-AREMUKBSSA-N 0 0 457.615 4.555 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361149204 1066438817 /nfs/dbraw/zinc/43/88/17/1066438817.db2.gz MLFUDMBIJZBUAZ-JOCHJYFZSA-N 0 0 454.537 4.804 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001444266090 1066439026 /nfs/dbraw/zinc/43/90/26/1066439026.db2.gz KSCKUQACXHXAHK-FJIJXJHWSA-N 0 0 452.595 4.810 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC2CCCCC2)c1 ZINC001361149312 1066439413 /nfs/dbraw/zinc/43/94/13/1066439413.db2.gz QNLHAXKAVFXVQS-UHFFFAOYSA-N 0 0 469.674 4.601 20 0 JJADRN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001455830117 1066439577 /nfs/dbraw/zinc/43/95/77/1066439577.db2.gz OGHXSSPDFOSVHJ-NYHFZMIOSA-N 0 0 454.571 4.987 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c(C(C)(C)C)c1 ZINC001444268322 1066439626 /nfs/dbraw/zinc/43/96/26/1066439626.db2.gz OXGAKVROQKNGBN-UHFFFAOYSA-N 0 0 454.586 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1ccn(-c3ccccc3Cl)n1)C2 ZINC001455832792 1066439666 /nfs/dbraw/zinc/43/96/66/1066439666.db2.gz UZIJRCXTPRECKP-DEOSSOPVSA-N 0 0 458.990 4.779 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc2)n1 ZINC001444270052 1066439687 /nfs/dbraw/zinc/43/96/87/1066439687.db2.gz GXZUNMIASROSIL-NRFANRHFSA-N 0 0 453.542 4.976 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)c2ccccc2Cl)c1 ZINC001444268641 1066439733 /nfs/dbraw/zinc/43/97/33/1066439733.db2.gz ZHNGMMGPNDGYKY-GGAORHGYSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001361149469 1066439930 /nfs/dbraw/zinc/43/99/30/1066439930.db2.gz UZOMKRRQHXNUJG-QFIPXVFZSA-N 0 0 488.698 4.704 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1Br ZINC001444270531 1066440405 /nfs/dbraw/zinc/44/04/05/1066440405.db2.gz HOEQUUCVTMUCEH-HNNXBMFYSA-N 0 0 458.356 4.760 20 0 JJADRN CCC(CC)(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001444270410 1066440413 /nfs/dbraw/zinc/44/04/13/1066440413.db2.gz RGNLWUJTVBVSAF-UHFFFAOYSA-N 0 0 453.402 4.949 20 0 JJADRN Cc1ccccc1-c1cnc(NC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)s1 ZINC001361149971 1066440747 /nfs/dbraw/zinc/44/07/47/1066440747.db2.gz OGJSLQJAWGBHGF-UHFFFAOYSA-N 0 0 455.605 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3CCC(CCc4ccccc4)CC3)cc21 ZINC001455851934 1066441180 /nfs/dbraw/zinc/44/11/80/1066441180.db2.gz AMMGAAIVSVQKMT-NRFANRHFSA-N 0 0 452.599 4.728 20 0 JJADRN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCC(CCc2ccccc2)CC1 ZINC001455853395 1066442100 /nfs/dbraw/zinc/44/21/00/1066442100.db2.gz IOCGOUYZTZTDPM-QFIPXVFZSA-N 0 0 455.396 4.673 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)C2)c1 ZINC001444277051 1066442780 /nfs/dbraw/zinc/44/27/80/1066442780.db2.gz IAWSNMGZOWNRHQ-FQEVSTJZSA-N 0 0 456.424 4.984 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361151563 1066443288 /nfs/dbraw/zinc/44/32/88/1066443288.db2.gz KATSJECLLMEEQX-NRFANRHFSA-N 0 0 479.625 4.708 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001546077003 1066443362 /nfs/dbraw/zinc/44/33/62/1066443362.db2.gz FEDVUGPGFQYFMA-UVWWXKGLSA-N 0 0 491.076 4.929 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1ccc(F)cc1F ZINC001455869673 1066443419 /nfs/dbraw/zinc/44/34/19/1066443419.db2.gz KIQLQDZGGXVZLH-KSFYIVLOSA-N 0 0 454.473 4.924 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)C2)C1 ZINC001455868857 1066443469 /nfs/dbraw/zinc/44/34/69/1066443469.db2.gz DCVWXDQWGWKKRK-MVVBSDQISA-N 0 0 462.578 4.747 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001546077002 1066443479 /nfs/dbraw/zinc/44/34/79/1066443479.db2.gz FEDVUGPGFQYFMA-ROSOWXQZSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361151630 1066443777 /nfs/dbraw/zinc/44/37/77/1066443777.db2.gz CMMWNAHCQWOIOQ-DEOSSOPVSA-N 0 0 497.684 4.518 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361151690 1066443793 /nfs/dbraw/zinc/44/37/93/1066443793.db2.gz DPRUPNGXCIPMBD-HYBUGGRVSA-N 0 0 494.558 4.696 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361151692 1066443935 /nfs/dbraw/zinc/44/39/35/1066443935.db2.gz DPRUPNGXCIPMBD-YKSBVNFPSA-N 0 0 494.558 4.696 20 0 JJADRN CO[C@H](C)CN(C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001444291854 1066443987 /nfs/dbraw/zinc/44/39/87/1066443987.db2.gz GFHZKHFMBPSFIB-HZPDHXFCSA-N 0 0 459.637 4.958 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC001455872783 1066443990 /nfs/dbraw/zinc/44/39/90/1066443990.db2.gz JWAQQEOHJPJLJH-HUUCEWRRSA-N 0 0 479.337 4.641 20 0 JJADRN Cc1cc(CCC(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)ccc1Br ZINC001444293351 1066444802 /nfs/dbraw/zinc/44/48/02/1066444802.db2.gz UVARZMAAKXMPFS-UHFFFAOYSA-N 0 0 452.352 4.654 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)c2c1 ZINC001455876913 1066444664 /nfs/dbraw/zinc/44/46/64/1066444664.db2.gz JRUGXFGIVHWHDG-YLJYHZDGSA-N 0 0 479.499 4.648 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cnn1-c1cccc(F)c1 ZINC001444297581 1066444838 /nfs/dbraw/zinc/44/48/38/1066444838.db2.gz ZGOKJBDHZCDXLW-UHFFFAOYSA-N 0 0 457.509 4.541 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001455880682 1066445185 /nfs/dbraw/zinc/44/51/85/1066445185.db2.gz VUGIPGFRFKPAFE-IEBWSBKVSA-N 0 0 479.499 4.966 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N3C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC001455880696 1066445323 /nfs/dbraw/zinc/44/53/23/1066445323.db2.gz VUHKGKHHOLGFQV-DGBZWLMUSA-N 0 0 464.484 4.776 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC001455884628 1066445347 /nfs/dbraw/zinc/44/53/47/1066445347.db2.gz YLJWSUKZDMHELZ-UHFFFAOYSA-N 0 0 452.624 4.577 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361152115 1066445417 /nfs/dbraw/zinc/44/54/17/1066445417.db2.gz PRIFDPXSQQGHGR-UHFFFAOYSA-N 0 0 491.480 4.667 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545966660 1066445447 /nfs/dbraw/zinc/44/54/47/1066445447.db2.gz IHBHAYOGRVZJID-RLLQIKCJSA-N 0 0 457.619 4.882 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361152362 1066445877 /nfs/dbraw/zinc/44/58/77/1066445877.db2.gz KZYCWRWMGSGFRC-SFHVURJKSA-N 0 0 453.587 4.672 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCCCC2 ZINC001444311762 1066446153 /nfs/dbraw/zinc/44/61/53/1066446153.db2.gz SGJZNGCKWIRZTE-MOUTVQLLSA-N 0 0 470.654 4.956 20 0 JJADRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccc2ccccc21 ZINC001455885797 1066446151 /nfs/dbraw/zinc/44/61/51/1066446151.db2.gz FZKICPHMAFUROV-OAQYLSRUSA-N 0 0 451.523 4.989 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)C12CCCCC2 ZINC001444314335 1066446638 /nfs/dbraw/zinc/44/66/38/1066446638.db2.gz XPNFGSFPRQBGRX-OALUTQOASA-N 0 0 450.505 4.511 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001444316940 1066447418 /nfs/dbraw/zinc/44/74/18/1066447418.db2.gz DGOZZODTTFSJDW-SDBXPKJASA-N 0 0 450.558 4.699 20 0 JJADRN CC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001455893092 1066447469 /nfs/dbraw/zinc/44/74/69/1066447469.db2.gz WGUFGKXGSJGKTQ-GOTSBHOMSA-N 0 0 456.633 4.507 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444320836 1066448002 /nfs/dbraw/zinc/44/80/02/1066448002.db2.gz NLZITPGUFPOGLE-XZOQPEGZSA-N 0 0 450.583 4.555 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1c[nH]c(=O)c2ccccc12 ZINC001455900604 1066448029 /nfs/dbraw/zinc/44/80/29/1066448029.db2.gz AYKZDDSDDXVQLC-UHFFFAOYSA-N 0 0 454.349 4.685 20 0 JJADRN Cc1noc(C2CCN(c3nnc(COc4cc(C)ccc4C)n3CCSC(F)(F)F)CC2)n1 ZINC001361153118 1066448566 /nfs/dbraw/zinc/44/85/66/1066448566.db2.gz VEDZNLVEGFIWFP-UHFFFAOYSA-N 0 0 496.559 4.802 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)cc1 ZINC001444324677 1066448706 /nfs/dbraw/zinc/44/87/06/1066448706.db2.gz SNJLTKNOZLGDFP-CQSZACIVSA-N 0 0 459.490 4.514 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361153266 1066449261 /nfs/dbraw/zinc/44/92/61/1066449261.db2.gz WVTJASJJYYPADQ-OFNKIYASSA-N 0 0 467.658 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](Cc2nccs2)C1)c1cccc(Cl)c1 ZINC001455909744 1066449178 /nfs/dbraw/zinc/44/91/78/1066449178.db2.gz VYQCHUSGKGQLHS-DNVCBOLYSA-N 0 0 450.004 4.844 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC001444325616 1066449288 /nfs/dbraw/zinc/44/92/88/1066449288.db2.gz AUYIQJPCFKOUKW-LBPRGKRZSA-N 0 0 451.283 4.852 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)OCC3 ZINC001455910277 1066449345 /nfs/dbraw/zinc/44/93/45/1066449345.db2.gz YMVJKTUVSRTGLW-QHOOGPDPSA-N 0 0 469.626 4.670 20 0 JJADRN CCn1cc(C(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)c(C(F)(F)F)n1 ZINC001455910017 1066449362 /nfs/dbraw/zinc/44/93/62/1066449362.db2.gz DBWZWYHZGFUJCZ-UHFFFAOYSA-N 0 0 458.278 4.642 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)C1 ZINC001361153571 1066449964 /nfs/dbraw/zinc/44/99/64/1066449964.db2.gz JQZSWKQNDSJHFR-JXFKEZNVSA-N 0 0 455.860 4.804 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCOC2CCOCC2)c1 ZINC001361153454 1066450054 /nfs/dbraw/zinc/45/00/54/1066450054.db2.gz ZURLVMSDEOKTKJ-JOCHJYFZSA-N 0 0 470.658 4.932 20 0 JJADRN O=C(c1nc(Br)sc1Cl)N1CCc2ccc(Br)c(F)c2C1 ZINC001455914526 1066450336 /nfs/dbraw/zinc/45/03/36/1066450336.db2.gz XJYNTRMKGBTXBP-UHFFFAOYSA-N 0 0 454.546 4.659 20 0 JJADRN Cn1ccc([C@@H]2CCCN(C(=O)c3cccnc3Sc3ccc(Br)cc3)C2)n1 ZINC001455913988 1066450438 /nfs/dbraw/zinc/45/04/38/1066450438.db2.gz QXWPQQAUHMXQAG-OAHLLOKOSA-N 0 0 457.397 4.749 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361154526 1066451147 /nfs/dbraw/zinc/45/11/47/1066451147.db2.gz BLWCEKBPWPCJOL-WIOPSUGQSA-N 0 0 470.658 4.524 20 0 JJADRN CC(C)OC(=O)C1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001455918800 1066451168 /nfs/dbraw/zinc/45/11/68/1066451168.db2.gz WWLDQELDZVDGLN-UHFFFAOYSA-N 0 0 454.592 4.683 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)CC2)s1 ZINC001444334480 1066451281 /nfs/dbraw/zinc/45/12/81/1066451281.db2.gz BDPBJNAVAFHIIG-SQJMNOBHSA-N 0 0 461.672 4.525 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)ccc1OCc1cccnc1 ZINC001444337479 1066451298 /nfs/dbraw/zinc/45/12/98/1066451298.db2.gz ITTXBDXLTIFTPD-UHFFFAOYSA-N 0 0 459.546 4.823 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC001444346568 1066452479 /nfs/dbraw/zinc/45/24/79/1066452479.db2.gz MWLHTAIQISDZHB-SFHVURJKSA-N 0 0 459.395 4.571 20 0 JJADRN Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001455927445 1066452508 /nfs/dbraw/zinc/45/25/08/1066452508.db2.gz PEKUMYHWSBZRAN-UHFFFAOYSA-N 0 0 450.923 4.618 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361155059 1066452588 /nfs/dbraw/zinc/45/25/88/1066452588.db2.gz KDCDCYQMWBUBFN-AREMUKBSSA-N 0 0 458.647 4.665 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@H](c2cccnc2)C(C)C)c1 ZINC001361155193 1066452886 /nfs/dbraw/zinc/45/28/86/1066452886.db2.gz ORMCRHRPDCFXPO-DEOSSOPVSA-N 0 0 463.626 4.517 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CCCSC2)c1 ZINC001361155129 1066452916 /nfs/dbraw/zinc/45/29/16/1066452916.db2.gz MUCFCXJPMIOKQA-FGZHOGPDSA-N 0 0 458.672 4.868 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001455930651 1066453115 /nfs/dbraw/zinc/45/31/15/1066453115.db2.gz VRBVJTRDPSLAKH-ZHALLVOQSA-N 0 0 470.639 4.926 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC001455929819 1066453125 /nfs/dbraw/zinc/45/31/25/1066453125.db2.gz GUPXUVZPLNZXQQ-UHFFFAOYSA-N 0 0 450.514 4.848 20 0 JJADRN CCOC(=O)c1cc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)[nH]c1C ZINC001455930185 1066453167 /nfs/dbraw/zinc/45/31/67/1066453167.db2.gz JBQYPPSGSUIEOY-UHFFFAOYSA-N 0 0 459.502 4.888 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)[C@@H]1CCc2nccn2C1 ZINC001455930704 1066453194 /nfs/dbraw/zinc/45/31/94/1066453194.db2.gz VTHSSJUWSNOWPX-OAHLLOKOSA-N 0 0 458.331 4.798 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001444354556 1066453839 /nfs/dbraw/zinc/45/38/39/1066453839.db2.gz ATQORSWYPKICKP-UHFFFAOYSA-N 0 0 450.967 4.822 20 0 JJADRN COc1cc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)cc(Br)c1OC ZINC001455932566 1066453822 /nfs/dbraw/zinc/45/38/22/1066453822.db2.gz JETSBBKGAJRLDY-UHFFFAOYSA-N 0 0 456.720 4.937 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2CC=CCO2)c1 ZINC001361155301 1066453871 /nfs/dbraw/zinc/45/38/71/1066453871.db2.gz AJQXNHYWAWBOSS-MOPGFXCFSA-N 0 0 450.505 4.598 20 0 JJADRN CCN1CCc2ccc(NC(=O)C(=O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)cc21 ZINC001455933111 1066454395 /nfs/dbraw/zinc/45/43/95/1066454395.db2.gz PFTCMNMAHKMMBE-UHFFFAOYSA-N 0 0 456.468 4.712 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361155616 1066455138 /nfs/dbraw/zinc/45/51/38/1066455138.db2.gz FFQFTEMZIZCQDT-SFHVURJKSA-N 0 0 497.562 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCOc2ncccc2F)c1 ZINC001361155625 1066455650 /nfs/dbraw/zinc/45/56/50/1066455650.db2.gz FKIQONWTAIHCTM-OAQYLSRUSA-N 0 0 497.615 4.871 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCCC(=O)N(C)C)c1 ZINC001361155623 1066455656 /nfs/dbraw/zinc/45/56/56/1066455656.db2.gz FHQDQKAGKXHIQB-UHFFFAOYSA-N 0 0 489.611 4.748 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001361155774 1066455688 /nfs/dbraw/zinc/45/56/88/1066455688.db2.gz GFVYDEYXAQIXFE-WNCULLNHSA-N 0 0 480.657 4.536 20 0 JJADRN O=C(Nc1cccc(SC(F)F)c1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001455937311 1066455701 /nfs/dbraw/zinc/45/57/01/1066455701.db2.gz ANPQPJQYXNTJNO-MRXNPFEDSA-N 0 0 455.324 4.894 20 0 JJADRN CO[C@H]1CCCN(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)C1 ZINC001455937101 1066455742 /nfs/dbraw/zinc/45/57/42/1066455742.db2.gz CRQVKSXVSWVJLI-HNNXBMFYSA-N 0 0 453.395 4.517 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCCC(C)C)c1 ZINC001361156146 1066457673 /nfs/dbraw/zinc/45/76/73/1066457673.db2.gz OPAFUSGEASYKBY-JOCHJYFZSA-N 0 0 453.631 4.501 20 0 JJADRN Cc1sc(CCNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)nc1-c1ccccc1 ZINC001444393033 1066457607 /nfs/dbraw/zinc/45/76/07/1066457607.db2.gz WDEXQPQZYZLZJG-UHFFFAOYSA-N 0 0 452.580 4.511 20 0 JJADRN Cc1ccc(NC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1C(N)=O ZINC001455947603 1066457627 /nfs/dbraw/zinc/45/76/27/1066457627.db2.gz HKAWGIRUOCGKED-UHFFFAOYSA-N 0 0 451.567 4.536 20 0 JJADRN COc1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001455948368 1066457645 /nfs/dbraw/zinc/45/76/45/1066457645.db2.gz LXLJZECVZMZDCQ-XLIONFOSSA-N 0 0 450.645 4.641 20 0 JJADRN C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC001444395692 1066457998 /nfs/dbraw/zinc/45/79/98/1066457998.db2.gz WOCYMHXAAMELDF-OLYGJCCJSA-N 0 0 458.986 4.850 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361156281 1066458054 /nfs/dbraw/zinc/45/80/54/1066458054.db2.gz RPRPWCICXGBMNV-SKPFHBQLSA-N 0 0 496.574 4.573 20 0 JJADRN Cc1ccc2[nH]c(C(=O)NC3CN(c4ccc(C(F)(F)F)cc4)C3)cc2c1Br ZINC001455950096 1066458109 /nfs/dbraw/zinc/45/81/09/1066458109.db2.gz INQBSNAFZPPBHV-UHFFFAOYSA-N 0 0 452.274 4.876 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001455948938 1066458159 /nfs/dbraw/zinc/45/81/59/1066458159.db2.gz MIRHZAQBSIMWFS-UHFFFAOYSA-N 0 0 458.961 4.502 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(C)C)C1 ZINC001546077852 1066458961 /nfs/dbraw/zinc/45/89/61/1066458961.db2.gz XDXWNAYUXLQXTE-VWLOTQADSA-N 0 0 467.639 4.732 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361156555 1066459202 /nfs/dbraw/zinc/45/92/02/1066459202.db2.gz YJFXAXFTNMZBOA-BERHBOFZSA-N 0 0 470.658 4.809 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455951834 1066459203 /nfs/dbraw/zinc/45/92/03/1066459203.db2.gz JLAPVQAMBNAWIE-ZHRRBRCNSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC001444407493 1066459226 /nfs/dbraw/zinc/45/92/26/1066459226.db2.gz LKZMUKGONMCVIB-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC001444407210 1066459397 /nfs/dbraw/zinc/45/93/97/1066459397.db2.gz LFTGYDIMNBKOHN-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001444406129 1066459424 /nfs/dbraw/zinc/45/94/24/1066459424.db2.gz VEACMEWFPWEPGR-UHFFFAOYSA-N 0 0 453.421 4.987 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455956566 1066460089 /nfs/dbraw/zinc/46/00/89/1066460089.db2.gz ANPXOMKIZUCHPW-QHCPKHFHSA-N 0 0 458.530 4.577 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001455956889 1066460122 /nfs/dbraw/zinc/46/01/22/1066460122.db2.gz OGVOFBQPUAUODP-UHFFFAOYSA-N 0 0 454.596 4.561 20 0 JJADRN O=C(O[C@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)c1cnn(-c2ccccc2)c1 ZINC001361157896 1066460477 /nfs/dbraw/zinc/46/04/77/1066460477.db2.gz YGZVXHCREBSYSX-QGZVFWFLSA-N 0 0 453.214 4.664 20 0 JJADRN C[C@H](OC(=O)c1ccc(I)cc1F)c1nc2cc(Cl)ccc2n1C ZINC001361157712 1066460545 /nfs/dbraw/zinc/46/05/45/1066460545.db2.gz WFNFWRDVQCRZFW-VIFPVBQESA-N 0 0 458.658 4.888 20 0 JJADRN O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001361157858 1066460563 /nfs/dbraw/zinc/46/05/63/1066460563.db2.gz XCTKJOVGTLZKQU-SFHVURJKSA-N 0 0 459.342 4.815 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2c(Br)cnn2C)n(Cc2ccccc2)n1 ZINC001455960232 1066461100 /nfs/dbraw/zinc/46/11/00/1066461100.db2.gz BXTPNBWOVVAASY-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)OC ZINC001545967159 1066461341 /nfs/dbraw/zinc/46/13/41/1066461341.db2.gz REVROEHUEGAXKH-NHCUHLMSSA-N 0 0 474.646 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC001455964281 1066461767 /nfs/dbraw/zinc/46/17/67/1066461767.db2.gz LIAOMWADRKWOMO-QFIPXVFZSA-N 0 0 457.615 4.669 20 0 JJADRN Nc1cc(CCCNC(=O)CCC(=O)c2cc(Cl)sc2Cl)nn1-c1ccccc1 ZINC001444438516 1066461877 /nfs/dbraw/zinc/46/18/77/1066461877.db2.gz ZASRLSBGZCNTJM-UHFFFAOYSA-N 0 0 451.379 4.535 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(Cl)cc(Cl)n4)cc32)c1 ZINC001455964375 1066461900 /nfs/dbraw/zinc/46/19/00/1066461900.db2.gz LOKBEOGQZYIQPZ-UHFFFAOYSA-N 0 0 456.329 4.781 20 0 JJADRN CCN(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455966188 1066462591 /nfs/dbraw/zinc/46/25/91/1066462591.db2.gz WFFZVMQLFGCVHY-VWLOTQADSA-N 0 0 450.464 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC2(C)C)(c2ccc(Br)cc2)CC1 ZINC001444445825 1066462611 /nfs/dbraw/zinc/46/26/11/1066462611.db2.gz ASYTZRNLAQQMKL-UHFFFAOYSA-N 0 0 451.405 4.729 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]3c3cccs3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361158931 1066462662 /nfs/dbraw/zinc/46/26/62/1066462662.db2.gz ITFGDVKOAPDDSI-QGZVFWFLSA-N 0 0 493.555 4.555 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361159018 1066463012 /nfs/dbraw/zinc/46/30/12/1066463012.db2.gz MHSBQCVSLDLZQL-XMMPIXPASA-N 0 0 497.684 4.518 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361159058 1066463172 /nfs/dbraw/zinc/46/31/72/1066463172.db2.gz NKWSZSLECCSOJK-LEWJYISDSA-N 0 0 469.630 4.862 20 0 JJADRN CN(CCC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)OCc1ccccc1 ZINC001455967858 1066463087 /nfs/dbraw/zinc/46/30/87/1066463087.db2.gz SXYCZHXFGQURPK-UHFFFAOYSA-N 0 0 450.466 4.642 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001455967528 1066463159 /nfs/dbraw/zinc/46/31/59/1066463159.db2.gz IHNJEPCTBDFZPN-XHDPSFHLSA-N 0 0 459.292 4.643 20 0 JJADRN CN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1cccc(OC(F)(F)F)c1 ZINC001455968677 1066463171 /nfs/dbraw/zinc/46/31/71/1066463171.db2.gz FZCFLGWLCVZNIB-UHFFFAOYSA-N 0 0 454.246 4.869 20 0 JJADRN Cc1cc(OCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1Br ZINC001455968730 1066463203 /nfs/dbraw/zinc/46/32/03/1066463203.db2.gz CRIVCDQVOJONJB-LJQANCHMSA-N 0 0 456.340 4.940 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545967398 1066464445 /nfs/dbraw/zinc/46/44/45/1066464445.db2.gz WTEOBRMLIMONSF-DSKINZAPSA-N 0 0 455.603 4.636 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)CCC1CC1)NC(=O)OC(C)(C)C ZINC001545967379 1066464455 /nfs/dbraw/zinc/46/44/55/1066464455.db2.gz WIRYRBDDCUUJLR-LJQANCHMSA-N 0 0 471.602 4.604 20 0 JJADRN CN(C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC001455972867 1066464580 /nfs/dbraw/zinc/46/45/80/1066464580.db2.gz YQVSYZFDOLKWKF-UHFFFAOYSA-N 0 0 459.461 4.864 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001361159805 1066465117 /nfs/dbraw/zinc/46/51/17/1066465117.db2.gz KXTAHNPILWIJHH-UHFFFAOYSA-N 0 0 479.572 4.576 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC001444477255 1066465142 /nfs/dbraw/zinc/46/51/42/1066465142.db2.gz HTLULYHEJDMOSK-AVRDEDQJSA-N 0 0 457.546 4.930 20 0 JJADRN CCCCNc1nc(CC(=O)N(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)cs1 ZINC001444486280 1066465741 /nfs/dbraw/zinc/46/57/41/1066465741.db2.gz RKDWPQHFJBSKCC-UHFFFAOYSA-N 0 0 458.676 4.637 20 0 JJADRN Cc1ccc2oc(-c3ccc(NC(=O)[C@H](C)CS(=O)(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC001455985747 1066467018 /nfs/dbraw/zinc/46/70/18/1066467018.db2.gz ROVGRVNVYYWTAC-MRXNPFEDSA-N 0 0 452.507 4.991 20 0 JJADRN O=C(Nc1ncccc1OCC1CCCCC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001455984214 1066467187 /nfs/dbraw/zinc/46/71/87/1066467187.db2.gz WOAZSUSGVMPUDQ-UHFFFAOYSA-N 0 0 457.596 4.514 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001455988623 1066467910 /nfs/dbraw/zinc/46/79/10/1066467910.db2.gz HCSCZACKHMLILX-AREMUKBSSA-N 0 0 454.574 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@]2(C)CCCS2)c1 ZINC001361162026 1066468393 /nfs/dbraw/zinc/46/83/93/1066468393.db2.gz GCVUZIMTZMYAOP-RXVVDRJESA-N 0 0 470.561 4.527 20 0 JJADRN CN(C)c1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(C(F)(F)F)c1 ZINC001455989580 1066468396 /nfs/dbraw/zinc/46/83/96/1066468396.db2.gz JMOJOFYXPJULGJ-UHFFFAOYSA-N 0 0 453.420 4.824 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2CC(C)(C)C2)c1 ZINC001361161983 1066468404 /nfs/dbraw/zinc/46/84/04/1066468404.db2.gz DVORTFCHFMLERE-QFIPXVFZSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@H]2CCCCN2C)c1 ZINC001444502332 1066468804 /nfs/dbraw/zinc/46/88/04/1066468804.db2.gz JERRVEJXXLRTRS-GOSISDBHSA-N 0 0 457.372 4.934 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCC2CCOCC2)c1 ZINC001361162280 1066469404 /nfs/dbraw/zinc/46/94/04/1066469404.db2.gz MMQFYXGBODFVHD-MHZLTWQESA-N 0 0 470.658 4.932 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361162225 1066469459 /nfs/dbraw/zinc/46/94/59/1066469459.db2.gz KYSGORHBVAFHQI-DEOSSOPVSA-N 0 0 479.625 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCOc2ncccc2Cl)c1 ZINC001361162351 1066469555 /nfs/dbraw/zinc/46/95/55/1066469555.db2.gz AJQUFXNAAMZWPA-SFHVURJKSA-N 0 0 474.030 4.543 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@@H]3c3cccc(C)c3C)n2)CCCCCC1 ZINC001444509111 1066469607 /nfs/dbraw/zinc/46/96/07/1066469607.db2.gz REEBJOVNDRLQII-JOCHJYFZSA-N 0 0 452.599 4.668 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@H]3c3cccc(C)c3C)n2)CCCCCC1 ZINC001444509115 1066469633 /nfs/dbraw/zinc/46/96/33/1066469633.db2.gz REEBJOVNDRLQII-QFIPXVFZSA-N 0 0 452.599 4.668 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361162499 1066470217 /nfs/dbraw/zinc/47/02/17/1066470217.db2.gz CMYRDPRPSFWEBC-VWLOTQADSA-N 0 0 458.672 4.747 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(-c3cccc(Cl)c3Cl)[nH]n2)CC1 ZINC001456003129 1066470288 /nfs/dbraw/zinc/47/02/88/1066470288.db2.gz ZOPKQSNBPUAURN-LBPRGKRZSA-N 0 0 455.411 4.560 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)/C=C/C2CCOCC2)cc1 ZINC001456007962 1066471105 /nfs/dbraw/zinc/47/11/05/1066471105.db2.gz LEIOLQGZVICOEG-NYYWCZLTSA-N 0 0 457.368 4.924 20 0 JJADRN O=C(CCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC001444513452 1066471447 /nfs/dbraw/zinc/47/14/47/1066471447.db2.gz JEYIPPCYFMAQPD-JOCHJYFZSA-N 0 0 452.526 4.524 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001361162989 1066471539 /nfs/dbraw/zinc/47/15/39/1066471539.db2.gz UINQHCKNDJSDBI-QHCPKHFHSA-N 0 0 452.599 4.983 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001361163057 1066471566 /nfs/dbraw/zinc/47/15/66/1066471566.db2.gz UTZFPQSMDXCKSJ-JOCHJYFZSA-N 0 0 469.655 4.733 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1ccc(Br)[nH]c1=O ZINC001444513102 1066471550 /nfs/dbraw/zinc/47/15/50/1066471550.db2.gz XYQRFZXBEUJAOK-UHFFFAOYSA-N 0 0 455.287 4.803 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2ccc(NCc3nccn3C)cc2)C1 ZINC001444515147 1066471649 /nfs/dbraw/zinc/47/16/49/1066471649.db2.gz WYDCJYGMFNSEBM-SFHVURJKSA-N 0 0 452.986 4.789 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361163109 1066471974 /nfs/dbraw/zinc/47/19/74/1066471974.db2.gz VBRBTLLJAPDHNG-KHUIQGCPSA-N 0 0 470.658 4.929 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC001456013562 1066472475 /nfs/dbraw/zinc/47/24/75/1066472475.db2.gz DYXGNVDBIWWRHX-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012794 1066472637 /nfs/dbraw/zinc/47/26/37/1066472637.db2.gz BNGSOWCXVDFZCI-VGOFRKELSA-N 0 0 459.537 4.557 20 0 JJADRN CCN1CCN(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)c2ccccc21 ZINC001456014474 1066473291 /nfs/dbraw/zinc/47/32/91/1066473291.db2.gz YFMIKMKFPKBIQL-UHFFFAOYSA-N 0 0 456.340 4.811 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)cc1 ZINC001444533994 1066473336 /nfs/dbraw/zinc/47/33/36/1066473336.db2.gz WDGSCCZCDRMEAB-UHFFFAOYSA-N 0 0 450.720 4.735 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)[C@@H]2C)c(C)o1 ZINC001361163833 1066474105 /nfs/dbraw/zinc/47/41/05/1066474105.db2.gz RIUYHBHWNTUXCS-JDRJUVJTSA-N 0 0 484.666 4.922 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456015969 1066474051 /nfs/dbraw/zinc/47/40/51/1066474051.db2.gz KVLYMUKCPIFOJI-XXPWESIGSA-N 0 0 455.549 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)C1 ZINC001456015765 1066474125 /nfs/dbraw/zinc/47/41/25/1066474125.db2.gz HJOZRMKOZVJNOD-UHFFFAOYSA-N 0 0 453.326 4.771 20 0 JJADRN Cc1cccc([C@@H](C)C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 ZINC001444551276 1066474216 /nfs/dbraw/zinc/47/42/16/1066474216.db2.gz MLTWAKMRIXZRRL-QGZVFWFLSA-N 0 0 450.476 4.933 20 0 JJADRN Nc1cc(I)ccc1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC001444549809 1066474307 /nfs/dbraw/zinc/47/43/07/1066474307.db2.gz GJDDDWRZEDBANG-UHFFFAOYSA-N 0 0 452.239 4.622 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361164094 1066474790 /nfs/dbraw/zinc/47/47/90/1066474790.db2.gz VGJGLAFATRWAHY-LJQANCHMSA-N 0 0 497.631 4.690 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456016205 1066474756 /nfs/dbraw/zinc/47/47/56/1066474756.db2.gz MDDSWYUDFGSBPC-QKDIEKDRSA-N 0 0 463.622 4.547 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456016212 1066474820 /nfs/dbraw/zinc/47/48/20/1066474820.db2.gz MDDSWYUDFGSBPC-ZDULRJDPSA-N 0 0 463.622 4.547 20 0 JJADRN Cc1cccc(NC2CCN(C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)CC2)c1 ZINC001444557760 1066474700 /nfs/dbraw/zinc/47/47/00/1066474700.db2.gz CAKMYAAPPHLYKH-UHFFFAOYSA-N 0 0 456.015 4.733 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001456018237 1066475607 /nfs/dbraw/zinc/47/56/07/1066475607.db2.gz LBVWHZRQOMXIOJ-CQSZACIVSA-N 0 0 455.386 4.848 20 0 JJADRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001456017679 1066475638 /nfs/dbraw/zinc/47/56/38/1066475638.db2.gz HNNVPAZWEAOUFL-UHFFFAOYSA-N 0 0 452.393 4.577 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC001456017981 1066475715 /nfs/dbraw/zinc/47/57/15/1066475715.db2.gz NUVQDAGWMZSNKR-QGZVFWFLSA-N 0 0 457.258 4.945 20 0 JJADRN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C[C@H](C)O)c3ccccc3n2)cc1OC ZINC001444560049 1066475786 /nfs/dbraw/zinc/47/57/86/1066475786.db2.gz HYUXUDRHPMDTIU-IBGZPJMESA-N 0 0 456.542 4.942 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1 ZINC001456018049 1066475740 /nfs/dbraw/zinc/47/57/40/1066475740.db2.gz GILRXFBQJYDCRU-UHFFFAOYSA-N 0 0 451.910 4.939 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017652 1066475756 /nfs/dbraw/zinc/47/57/56/1066475756.db2.gz KQBIYCVLEIPCBL-SXOMAYOGSA-N 0 0 455.602 4.716 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001444562689 1066476283 /nfs/dbraw/zinc/47/62/83/1066476283.db2.gz FNYOHWFYEWXTAF-PKTZIBPZSA-N 0 0 456.558 4.672 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)c2)cc1 ZINC001456019443 1066476308 /nfs/dbraw/zinc/47/63/08/1066476308.db2.gz RSSUGHYQOAYISW-SANMLTNESA-N 0 0 451.526 4.737 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(-c4cnn(C)c4)n3CCSCC(C)C)CC2)cc1 ZINC001361166025 1066477007 /nfs/dbraw/zinc/47/70/07/1066477007.db2.gz NTUYTTWMEOGGRO-UHFFFAOYSA-N 0 0 452.672 4.934 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccnc(-c2ccccc2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019991 1066477044 /nfs/dbraw/zinc/47/70/44/1066477044.db2.gz VSTPFFQHTJOWSF-CYFREDJKSA-N 0 0 457.578 4.527 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC001456020370 1066477577 /nfs/dbraw/zinc/47/75/77/1066477577.db2.gz TWXFPWMGDHXRLA-OAHLLOKOSA-N 0 0 454.162 4.983 20 0 JJADRN Cc1cccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1Br ZINC001456020585 1066477612 /nfs/dbraw/zinc/47/76/12/1066477612.db2.gz WNENNDXEUBFIPD-OAQYLSRUSA-N 0 0 451.364 4.666 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001444568428 1066477785 /nfs/dbraw/zinc/47/77/85/1066477785.db2.gz PSMFXPQMMNPOKH-IBGZPJMESA-N 0 0 456.739 4.836 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3CCc3csc(C(C)(C)C)n3)C2)cc1 ZINC001361166437 1066477736 /nfs/dbraw/zinc/47/77/36/1066477736.db2.gz UJYRXOPEZSYSKA-VWLOTQADSA-N 0 0 453.656 4.805 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCO[C@H]3C(C)C)CC2)cc1 ZINC001361166273 1066477777 /nfs/dbraw/zinc/47/77/77/1066477777.db2.gz RYQDKHXAXYYDNG-VWNXMTODSA-N 0 0 481.685 4.734 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C(C)C)n3Cc3sccc3Br)C2)cc1 ZINC001361166660 1066478328 /nfs/dbraw/zinc/47/83/28/1066478328.db2.gz XXXYNGMICBEYSQ-OAQYLSRUSA-N 0 0 461.429 4.680 20 0 JJADRN O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001456021671 1066478436 /nfs/dbraw/zinc/47/84/36/1066478436.db2.gz YAMCBGCLKUBANO-UHFFFAOYSA-N 0 0 455.274 4.520 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)c(C)n1C(C)C ZINC001444571289 1066478551 /nfs/dbraw/zinc/47/85/51/1066478551.db2.gz RQMSQGZECLWFGB-UHFFFAOYSA-N 0 0 452.559 4.748 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NC(c1cccs1)c1cccs1 ZINC001444573046 1066478848 /nfs/dbraw/zinc/47/88/48/1066478848.db2.gz WHLYSKFYIZYOJE-UHFFFAOYSA-N 0 0 459.536 4.594 20 0 JJADRN CCCc1sc(C(=O)Nc2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1Br ZINC001444579208 1066478863 /nfs/dbraw/zinc/47/88/63/1066478863.db2.gz JBXPMBSQNNMYFH-UHFFFAOYSA-N 0 0 451.346 4.518 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(C(C)C)nnc3N3C[C@H](C)O[C@H](C(F)(F)F)C3)co2)cc1 ZINC001361166946 1066479182 /nfs/dbraw/zinc/47/91/82/1066479182.db2.gz CGWBSYKPFPUGQB-LPHOPBHVSA-N 0 0 463.504 4.764 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)C)n3CCc3nc(C(F)(F)F)cs3)C2)cc1 ZINC001361166912 1066479209 /nfs/dbraw/zinc/47/92/09/1066479209.db2.gz BRGLDRQFCQNEPF-QFIPXVFZSA-N 0 0 479.572 4.601 20 0 JJADRN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595582 1066479289 /nfs/dbraw/zinc/47/92/89/1066479289.db2.gz FSWSFUMXUZQQQQ-MRXNPFEDSA-N 0 0 456.315 4.713 20 0 JJADRN Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001361167408 1066480596 /nfs/dbraw/zinc/48/05/96/1066480596.db2.gz PEBXNUBCJINFEM-UHFFFAOYSA-N 0 0 462.501 4.904 20 0 JJADRN O=C(Nc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027024 1066481572 /nfs/dbraw/zinc/48/15/72/1066481572.db2.gz FLFAPVVPWYZJMY-QFIPXVFZSA-N 0 0 451.954 4.970 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001444609757 1066482074 /nfs/dbraw/zinc/48/20/74/1066482074.db2.gz NZQDVLQJMRCTPR-CRAIPNDOSA-N 0 0 451.633 4.610 20 0 JJADRN CC(C)(CNC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1ccc(F)cc1 ZINC001456029523 1066482079 /nfs/dbraw/zinc/48/20/79/1066482079.db2.gz ISEDGJSXCJNYGL-UHFFFAOYSA-N 0 0 451.727 4.530 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NC(C)(C)Cc3ccc(Br)cc3)CCC2=O)cc1C ZINC001361168185 1066482058 /nfs/dbraw/zinc/48/20/58/1066482058.db2.gz LGGPATNWYOYFHK-LJQANCHMSA-N 0 0 457.412 4.946 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC001361168114 1066482165 /nfs/dbraw/zinc/48/21/65/1066482165.db2.gz KNCHBSOHFVLLOB-MRXNPFEDSA-N 0 0 453.174 4.825 20 0 JJADRN Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(Br)c1 ZINC001456029448 1066482163 /nfs/dbraw/zinc/48/21/63/1066482163.db2.gz MNLXLQUFKPOURH-JOCHJYFZSA-N 0 0 451.364 4.666 20 0 JJADRN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC001456029158 1066482172 /nfs/dbraw/zinc/48/21/72/1066482172.db2.gz KPWDLXAKSYJLRO-VGSWGCGISA-N 0 0 451.364 4.919 20 0 JJADRN Cc1c(I)ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001456030870 1066482851 /nfs/dbraw/zinc/48/28/51/1066482851.db2.gz MMXWYMMWMSUQSK-LSDHHAIUSA-N 0 0 472.367 4.930 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030754 1066483034 /nfs/dbraw/zinc/48/30/34/1066483034.db2.gz QBDFXEXTYSWTJE-MRXNPFEDSA-N 0 0 457.199 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCCOC[C@@H]2CCOC2)o1 ZINC001361169587 1066483594 /nfs/dbraw/zinc/48/35/94/1066483594.db2.gz HRSWGKACBMNUMJ-ROUUACIJSA-N 0 0 460.525 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCCOC[C@H]2CCOC2)o1 ZINC001361169586 1066483608 /nfs/dbraw/zinc/48/36/08/1066483608.db2.gz HRSWGKACBMNUMJ-QZTJIDSGSA-N 0 0 460.525 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCCOC[C@@H]2CCOC2)o1 ZINC001361169585 1066483681 /nfs/dbraw/zinc/48/36/81/1066483681.db2.gz HRSWGKACBMNUMJ-MSOLQXFVSA-N 0 0 460.525 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2Cc2nc(C)c(C)s2)o1 ZINC001361169673 1066484027 /nfs/dbraw/zinc/48/40/27/1066484027.db2.gz IVDDKHFIPYSASU-MWOWJKGTSA-N 0 0 469.636 4.903 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1NC(=O)c1cccs1 ZINC001444616699 1066484089 /nfs/dbraw/zinc/48/40/89/1066484089.db2.gz DBEXPOODRWEBBR-VQIMIIECSA-N 0 0 457.596 4.684 20 0 JJADRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001444617332 1066484131 /nfs/dbraw/zinc/48/41/31/1066484131.db2.gz NMLYWMOGEZPNNR-QFIPXVFZSA-N 0 0 459.377 4.514 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001456032402 1066484242 /nfs/dbraw/zinc/48/42/42/1066484242.db2.gz VQGQGJDSRKOORE-YADHBBJMSA-N 0 0 454.498 4.539 20 0 JJADRN C[C@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444616725 1066484143 /nfs/dbraw/zinc/48/41/43/1066484143.db2.gz DJQWKMXDJGSOPU-YJBOKZPZSA-N 0 0 456.505 4.670 20 0 JJADRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001444617331 1066484229 /nfs/dbraw/zinc/48/42/29/1066484229.db2.gz NMLYWMOGEZPNNR-JOCHJYFZSA-N 0 0 459.377 4.514 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001444616858 1066484280 /nfs/dbraw/zinc/48/42/80/1066484280.db2.gz FCCYNLPPGQCIRC-PXAZEXFGSA-N 0 0 451.539 4.772 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001361169897 1066484728 /nfs/dbraw/zinc/48/47/28/1066484728.db2.gz LNKISRVTLULTTI-KRWDZBQOSA-N 0 0 471.552 4.971 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1c(F)cc(Br)cc1F ZINC001361170177 1066485097 /nfs/dbraw/zinc/48/50/97/1066485097.db2.gz DEDCDHGDVAITPG-UHFFFAOYSA-N 0 0 452.036 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Nc3cc(C4CCCC4)[nH]n3)s2)CC1 ZINC001444623650 1066485969 /nfs/dbraw/zinc/48/59/69/1066485969.db2.gz WPXQIWTZXGGEPX-UHFFFAOYSA-N 0 0 459.616 4.966 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(C)cn3ccnc23)c2ccccc2)cc1Br ZINC001456036716 1066486298 /nfs/dbraw/zinc/48/62/98/1066486298.db2.gz VAFOJCXZUFVWNX-OAQYLSRUSA-N 0 0 450.336 4.933 20 0 JJADRN COc1ccc(CNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1OC1CCCC1 ZINC001456036807 1066486321 /nfs/dbraw/zinc/48/63/21/1066486321.db2.gz VWNIKZCUKQCJEI-UHFFFAOYSA-N 0 0 455.942 4.969 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1Br ZINC001444635995 1066486774 /nfs/dbraw/zinc/48/67/74/1066486774.db2.gz WZSXKHDUXHRQBO-NSHDSACASA-N 0 0 451.162 4.898 20 0 JJADRN CS(C)(=O)=NCC1CCN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC001456038102 1066487024 /nfs/dbraw/zinc/48/70/24/1066487024.db2.gz NQNRHNOUVWHBSC-UHFFFAOYSA-N 0 0 455.462 4.617 20 0 JJADRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC001456039203 1066487821 /nfs/dbraw/zinc/48/78/21/1066487821.db2.gz QAGLCBZFLPPROK-UHFFFAOYSA-N 0 0 451.577 4.881 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC(C)CC3)n2CCC(=O)NC(C)C)cc1Br ZINC001361172277 1066489370 /nfs/dbraw/zinc/48/93/70/1066489370.db2.gz ZDUACUGEBIXYOW-UHFFFAOYSA-N 0 0 476.463 4.946 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001361172750 1066490075 /nfs/dbraw/zinc/49/00/75/1066490075.db2.gz JGYIYTHDQWXZTL-HOFKKMOUSA-N 0 0 450.623 4.684 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(F)c3)c(F)c2)cc1 ZINC001456044963 1066490007 /nfs/dbraw/zinc/49/00/07/1066490007.db2.gz BKMKSRXGPMOJSY-JOCHJYFZSA-N 0 0 454.498 4.794 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(Cc3ncc[nH]3)c3cccc(F)c3)s2)cc1OC ZINC001361172696 1066490175 /nfs/dbraw/zinc/49/01/75/1066490175.db2.gz FFIGJFZHUMWHOU-UHFFFAOYSA-N 0 0 452.511 4.845 20 0 JJADRN CCC(CC)(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)NC(=O)OC(C)(C)C ZINC001444664629 1066490250 /nfs/dbraw/zinc/49/02/50/1066490250.db2.gz DUFMKOOBSZCENH-UHFFFAOYSA-N 0 0 456.465 4.569 20 0 JJADRN Cc1ccc(N2CCC(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)CC2)nc1 ZINC001444665553 1066490328 /nfs/dbraw/zinc/49/03/28/1066490328.db2.gz BNCUWDYPVOHYQX-UHFFFAOYSA-N 0 0 456.428 4.997 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC001361173084 1066490701 /nfs/dbraw/zinc/49/07/01/1066490701.db2.gz NCZPSBSCBAFIOA-QZTJIDSGSA-N 0 0 451.394 4.510 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C ZINC001456046276 1066490614 /nfs/dbraw/zinc/49/06/14/1066490614.db2.gz FAAMMDLQKIDSBX-LSSBLYJVSA-N 0 0 450.482 4.837 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1Cl ZINC001444669727 1066490839 /nfs/dbraw/zinc/49/08/39/1066490839.db2.gz SCZMJOQSZCCFGO-GHTZIAJQSA-N 0 0 456.970 4.811 20 0 JJADRN CCC(CC)(CNC(=O)c1nn(-c2ccccc2)cc1OCC(C)C)NC(=O)OC(C)(C)C ZINC001444668011 1066490893 /nfs/dbraw/zinc/49/08/93/1066490893.db2.gz MQAZKWKXSFLNHK-UHFFFAOYSA-N 0 0 458.603 4.720 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](CO)Cc2ccccc2)cc1C ZINC001444670550 1066490909 /nfs/dbraw/zinc/49/09/09/1066490909.db2.gz OSAHUDKOIYPSAP-RUZDIDTESA-N 0 0 453.586 4.796 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1Cl ZINC001444669733 1066490923 /nfs/dbraw/zinc/49/09/23/1066490923.db2.gz SCZMJOQSZCCFGO-NQIIRXRSSA-N 0 0 456.970 4.811 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456046780 1066491228 /nfs/dbraw/zinc/49/12/28/1066491228.db2.gz DPLUUDFHROKUQU-JOCHJYFZSA-N 0 0 451.539 4.820 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456046785 1066491256 /nfs/dbraw/zinc/49/12/56/1066491256.db2.gz DPLUUDFHROKUQU-QFIPXVFZSA-N 0 0 451.539 4.820 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC001456047660 1066491493 /nfs/dbraw/zinc/49/14/93/1066491493.db2.gz HUMZSRQLCYFGNS-HSZRJFAPSA-N 0 0 454.592 4.808 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1)c1ccccc1OCc1cccc(Br)c1 ZINC001444674512 1066491624 /nfs/dbraw/zinc/49/16/24/1066491624.db2.gz VMOZOAGWDMXDCF-HXUWFJFHSA-N 0 0 454.364 4.609 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001444673136 1066491708 /nfs/dbraw/zinc/49/17/08/1066491708.db2.gz IMJCEKOBFGKENK-OAQYLSRUSA-N 0 0 455.396 4.820 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCOc2ncccc2F)cc1Br ZINC001361174728 1066491608 /nfs/dbraw/zinc/49/16/08/1066491608.db2.gz WBRUYBGGAHPSSS-INIZCTEOSA-N 0 0 492.418 4.571 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1F ZINC001444678651 1066492246 /nfs/dbraw/zinc/49/22/46/1066492246.db2.gz VWXGQWSMEKKANM-ZDUSSCGKSA-N 0 0 451.119 4.757 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCc3cc(Br)ccc32)c1C ZINC001456049551 1066492709 /nfs/dbraw/zinc/49/27/09/1066492709.db2.gz NQHOIHIFWRSRSR-AZUAARDMSA-N 0 0 459.409 4.636 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)CN1CCOCC1 ZINC001444686502 1066492758 /nfs/dbraw/zinc/49/27/58/1066492758.db2.gz ODQNWHOFWQSRHL-INIZCTEOSA-N 0 0 453.435 4.984 20 0 JJADRN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001456050378 1066493300 /nfs/dbraw/zinc/49/33/00/1066493300.db2.gz RGQYUWJADDILNX-SFHVURJKSA-N 0 0 455.432 4.889 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1cccc(Cl)c1 ZINC001444688392 1066493395 /nfs/dbraw/zinc/49/33/95/1066493395.db2.gz JKVKFIJSXVJEOO-YJYMSZOUSA-N 0 0 454.901 4.768 20 0 JJADRN CCn1c(Br)ncc1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001444690627 1066493567 /nfs/dbraw/zinc/49/35/67/1066493567.db2.gz VUXKTZFAFXBWRM-UHFFFAOYSA-N 0 0 455.194 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCCCn2ccnc2C)o1 ZINC001361175967 1066493663 /nfs/dbraw/zinc/49/36/63/1066493663.db2.gz ZPVGXIJODZMDEK-UHFFFAOYSA-N 0 0 481.988 4.560 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001456052844 1066494598 /nfs/dbraw/zinc/49/45/98/1066494598.db2.gz YRQRMNNJRNSEOW-RTBURBONSA-N 0 0 459.543 4.823 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC001444695205 1066494661 /nfs/dbraw/zinc/49/46/61/1066494661.db2.gz RCEFXAPSLWZVTQ-OAQYLSRUSA-N 0 0 452.624 4.811 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001361176639 1066494689 /nfs/dbraw/zinc/49/46/89/1066494689.db2.gz SGTGQJOMHRWPAD-UHFFFAOYSA-N 0 0 459.571 4.689 20 0 JJADRN C[C@@](Cc1cccc(Br)c1)(NC(=O)COc1ccccc1C=O)c1ccccc1 ZINC001444705597 1066495081 /nfs/dbraw/zinc/49/50/81/1066495081.db2.gz KJFLRZJOTSKTNQ-DEOSSOPVSA-N 0 0 452.348 4.915 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CC1 ZINC001361177353 1066495077 /nfs/dbraw/zinc/49/50/77/1066495077.db2.gz AEBSSQPNAAQMTC-UHFFFAOYSA-N 0 0 457.420 4.803 20 0 JJADRN CO[C@]1(C)C[C@@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1(C)C ZINC001444707245 1066495248 /nfs/dbraw/zinc/49/52/48/1066495248.db2.gz RFFWNVXGPSPKGV-FOIQADDNSA-N 0 0 451.386 4.696 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)NC2(c3cccc(C)c3)CCCC2)c1 ZINC001361176825 1066495196 /nfs/dbraw/zinc/49/51/96/1066495196.db2.gz WUVQHTIPIISSCQ-UHFFFAOYSA-N 0 0 450.398 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CCCOC(F)F)cc1Br ZINC001361177512 1066495818 /nfs/dbraw/zinc/49/58/18/1066495818.db2.gz HGQHWFNDCHGZSG-UHFFFAOYSA-N 0 0 457.241 4.644 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(F)cn1 ZINC001361177532 1066495835 /nfs/dbraw/zinc/49/58/35/1066495835.db2.gz HRNRNCRTTUFUMU-UHFFFAOYSA-N 0 0 487.402 5.000 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545968727 1066495796 /nfs/dbraw/zinc/49/57/96/1066495796.db2.gz KNZRPFMPFVJWKA-QZTJIDSGSA-N 0 0 478.037 4.717 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2Cl)c(C)c1 ZINC001444708572 1066495819 /nfs/dbraw/zinc/49/58/19/1066495819.db2.gz UZMHECCBVMRCAI-HSZRJFAPSA-N 0 0 451.954 4.741 20 0 JJADRN CO[C@]1(C)C[C@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1(C)C ZINC001444707249 1066495846 /nfs/dbraw/zinc/49/58/46/1066495846.db2.gz RFFWNVXGPSPKGV-MGPUTAFESA-N 0 0 451.386 4.696 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001456055198 1066495973 /nfs/dbraw/zinc/49/59/73/1066495973.db2.gz RKVVPPMFWAFBFB-NYHFZMIOSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001361177658 1066496528 /nfs/dbraw/zinc/49/65/28/1066496528.db2.gz LXUOMFSMMCILQO-UHFFFAOYSA-N 0 0 469.387 4.644 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001456057154 1066496605 /nfs/dbraw/zinc/49/66/05/1066496605.db2.gz UQJMQKWBMJVJGT-SPLOXXLWSA-N 0 0 459.509 4.703 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC001456058026 1066497335 /nfs/dbraw/zinc/49/73/35/1066497335.db2.gz TYPBMOXRJMZDTQ-NRFANRHFSA-N 0 0 450.560 4.643 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCc2ccc(S(C)(=O)=O)cc2)o1 ZINC001361177950 1066497661 /nfs/dbraw/zinc/49/76/61/1066497661.db2.gz COIYCJDIGWNCEZ-UHFFFAOYSA-N 0 0 491.038 4.844 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)C1 ZINC001546078950 1066498013 /nfs/dbraw/zinc/49/80/13/1066498013.db2.gz CKDWAPXMEFOPRO-KKFFFLSNSA-N 0 0 474.675 4.935 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)C1 ZINC001546078952 1066498423 /nfs/dbraw/zinc/49/84/23/1066498423.db2.gz CKDWAPXMEFOPRO-SVHPSLOZSA-N 0 0 474.675 4.935 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC001456060749 1066498441 /nfs/dbraw/zinc/49/84/41/1066498441.db2.gz XFPAPUSJYWCTGH-JOCHJYFZSA-N 0 0 454.592 4.677 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)c(C)c3)cc2c1 ZINC001456060297 1066498569 /nfs/dbraw/zinc/49/85/69/1066498569.db2.gz WNJDCURPLQWILP-FQEVSTJZSA-N 0 0 455.967 4.667 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2Cc2ncccc2N(C)C)o1 ZINC001361178341 1066498946 /nfs/dbraw/zinc/49/89/46/1066498946.db2.gz LMICJJXGVJNFDV-UHFFFAOYSA-N 0 0 468.508 4.594 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)NC(=O)OC(C)(C)C ZINC001545968920 1066499460 /nfs/dbraw/zinc/49/94/60/1066499460.db2.gz NXXSSHIIEYTDLY-SIKLNZKXSA-N 0 0 493.656 4.804 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CC2(CCOCC2)CC[C@H]1CO ZINC001456062752 1066499535 /nfs/dbraw/zinc/49/95/35/1066499535.db2.gz TWDXFDWDUODPAK-ZDUSSCGKSA-N 0 0 458.805 4.711 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC001456064696 1066499546 /nfs/dbraw/zinc/49/95/46/1066499546.db2.gz JILMCEISAHQIRI-MHZLTWQESA-N 0 0 454.574 4.761 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3CCC[C@H]3c3cncc(Br)c3)n2)c1 ZINC001456066989 1066499991 /nfs/dbraw/zinc/49/99/91/1066499991.db2.gz LMXVXJNLEFNIJW-KRWDZBQOSA-N 0 0 459.369 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCC(=O)NC2CCCCC2)o1 ZINC001361178936 1066500125 /nfs/dbraw/zinc/50/01/25/1066500125.db2.gz UTKBMDWJFQXDKH-UHFFFAOYSA-N 0 0 455.990 4.975 20 0 JJADRN CCN(C(=O)Cc1cc[nH]c(=O)c1Br)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456065781 1066500032 /nfs/dbraw/zinc/50/00/32/1066500032.db2.gz LFPGWAJJKBMRPO-OAQYLSRUSA-N 0 0 458.331 4.573 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)C3(c4cncc(Br)c4)CC3)CC2)cc1 ZINC001456066211 1066500206 /nfs/dbraw/zinc/50/02/06/1066500206.db2.gz HFQPOUYMFMHFSX-UHFFFAOYSA-N 0 0 456.428 4.958 20 0 JJADRN C[C@](O)(CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1F ZINC001444740296 1066500287 /nfs/dbraw/zinc/50/02/87/1066500287.db2.gz CAKAIGXUNLRYOV-FQEVSTJZSA-N 0 0 456.436 4.668 20 0 JJADRN C[C@@](O)(CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F ZINC001444744900 1066500623 /nfs/dbraw/zinc/50/06/23/1066500623.db2.gz IHQWJWLMIIOAEA-OAQYLSRUSA-N 0 0 455.288 4.883 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456067049 1066500633 /nfs/dbraw/zinc/50/06/33/1066500633.db2.gz PSYGCELITOKSRU-DQEYMECFSA-N 0 0 450.627 4.660 20 0 JJADRN O=C(c1cc(I)cc(C(F)(F)F)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC001361179341 1066500765 /nfs/dbraw/zinc/50/07/65/1066500765.db2.gz STELAMKTFRNHRQ-KBPBESRZSA-N 0 0 455.283 4.810 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC001456069014 1066501016 /nfs/dbraw/zinc/50/10/16/1066501016.db2.gz YHXYPOLEJSUCPD-XCZPVHLTSA-N 0 0 455.602 4.939 20 0 JJADRN CCN(C(=O)c1cnc(F)c(Br)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456068816 1066501068 /nfs/dbraw/zinc/50/10/68/1066501068.db2.gz VSONOLIEALXUFW-GOSISDBHSA-N 0 0 450.258 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCOCC(F)F)cc1Br ZINC001361180344 1066501167 /nfs/dbraw/zinc/50/11/67/1066501167.db2.gz ACEUIQQQSZIJRS-UHFFFAOYSA-N 0 0 471.371 4.996 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)c21 ZINC001456068705 1066501245 /nfs/dbraw/zinc/50/12/45/1066501245.db2.gz UCHHSJHJZSWTQK-UHFFFAOYSA-N 0 0 453.396 4.726 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)C(=O)NC)C1 ZINC001546079071 1066501573 /nfs/dbraw/zinc/50/15/73/1066501573.db2.gz FNTSPEAXWRNDQU-QFIPXVFZSA-N 0 0 468.429 4.563 20 0 JJADRN CC[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1)c1nc(C(F)(F)F)cs1 ZINC001444753279 1066501628 /nfs/dbraw/zinc/50/16/28/1066501628.db2.gz ZYHNFBGVDSOECH-VIFPVBQESA-N 0 0 452.380 4.661 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545968672 1066501655 /nfs/dbraw/zinc/50/16/55/1066501655.db2.gz JETNOBURWJSHPD-HLIPFELVSA-N 0 0 478.037 4.763 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCCN(C)c2ccccc2F)o1 ZINC001361180992 1066502036 /nfs/dbraw/zinc/50/20/36/1066502036.db2.gz CKRSTEDVMACQDX-UHFFFAOYSA-N 0 0 454.575 4.913 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)c3cc(I)ccc3O)c2)n1 ZINC001456070736 1066502044 /nfs/dbraw/zinc/50/20/44/1066502044.db2.gz BWXMPYAVYVOECW-UHFFFAOYSA-N 0 0 451.289 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC001456070898 1066502201 /nfs/dbraw/zinc/50/22/01/1066502201.db2.gz XFVDEDLJTFNUSS-ROUUACIJSA-N 0 0 452.393 4.687 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCc2ccccc2F)o1 ZINC001361181243 1066502399 /nfs/dbraw/zinc/50/23/99/1066502399.db2.gz RDUNYZVWUJPZSQ-UHFFFAOYSA-N 0 0 462.451 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCOc2c(C)cccc2C)o1 ZINC001361181164 1066502485 /nfs/dbraw/zinc/50/24/85/1066502485.db2.gz FPDOCTUMYGBEQE-UHFFFAOYSA-N 0 0 454.962 4.566 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)CC1 ZINC001444766596 1066502641 /nfs/dbraw/zinc/50/26/41/1066502641.db2.gz LOQWAFPHYRGJJD-UHFFFAOYSA-N 0 0 452.751 4.983 20 0 JJADRN CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456072121 1066502798 /nfs/dbraw/zinc/50/27/98/1066502798.db2.gz IDKOTBVLXAJERD-XMMPIXPASA-N 0 0 456.995 4.845 20 0 JJADRN CCN(CC1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1)C(=O)OC(C)(C)C ZINC001444765479 1066502790 /nfs/dbraw/zinc/50/27/90/1066502790.db2.gz AUEDTHGKPXYJDD-UHFFFAOYSA-N 0 0 455.555 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CCOC(C)(C)C)cc1Br ZINC001361181311 1066502954 /nfs/dbraw/zinc/50/29/54/1066502954.db2.gz JCLAQWDMKJBKGH-UHFFFAOYSA-N 0 0 464.433 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCOc2ncccc2Cl)o1 ZINC001361181315 1066503001 /nfs/dbraw/zinc/50/30/01/1066503001.db2.gz JDOYEURDZZMGSX-UHFFFAOYSA-N 0 0 467.961 4.524 20 0 JJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC001444772614 1066503129 /nfs/dbraw/zinc/50/31/29/1066503129.db2.gz XCMDYUXHVMQGSM-HXUWFJFHSA-N 0 0 455.555 4.535 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC001444773699 1066503211 /nfs/dbraw/zinc/50/32/11/1066503211.db2.gz CQRIEOLDWZVGPY-IBGZPJMESA-N 0 0 453.384 4.650 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545969124 1066503762 /nfs/dbraw/zinc/50/37/62/1066503762.db2.gz RMRPTFYRYVICLW-IRXDYDNUSA-N 0 0 478.037 4.906 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)C1 ZINC001456076723 1066503977 /nfs/dbraw/zinc/50/39/77/1066503977.db2.gz IQRUJUVVKCRTMN-RTWAWAEBSA-N 0 0 455.986 4.649 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CNc4ccc(Cl)cc4)C3)[nH]n2)cc1OC ZINC001456077812 1066504049 /nfs/dbraw/zinc/50/40/49/1066504049.db2.gz KHFYHRUGSWNZNQ-INIZCTEOSA-N 0 0 454.958 4.712 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@H](CNc4ccc(Cl)cc4)C3)[nH]n2)cc1OC ZINC001456077815 1066504179 /nfs/dbraw/zinc/50/41/79/1066504179.db2.gz KHFYHRUGSWNZNQ-MRXNPFEDSA-N 0 0 454.958 4.712 20 0 JJADRN CC[S@](=O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 ZINC001444789659 1066504093 /nfs/dbraw/zinc/50/40/93/1066504093.db2.gz YWLMQSUKXQTNIR-PMERELPUSA-N 0 0 457.573 4.652 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@]2(O)CCC[C@H]2C)o1 ZINC001361181780 1066504257 /nfs/dbraw/zinc/50/42/57/1066504257.db2.gz WJVDLKJTBJKMIT-BLVKFPJESA-N 0 0 455.506 4.509 20 0 JJADRN CN(C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC001456077324 1066504546 /nfs/dbraw/zinc/50/45/46/1066504546.db2.gz OBHPLEBPGKZDDC-OAQYLSRUSA-N 0 0 453.336 4.679 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCCC12CCC2 ZINC001456077924 1066504617 /nfs/dbraw/zinc/50/46/17/1066504617.db2.gz PKMLJQVERRGNIE-UHFFFAOYSA-N 0 0 453.391 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361182830 1066505162 /nfs/dbraw/zinc/50/51/62/1066505162.db2.gz BZRWYOOWUUPVPC-UHFFFAOYSA-N 0 0 459.566 4.598 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456079832 1066505457 /nfs/dbraw/zinc/50/54/57/1066505457.db2.gz XIGYGADEKROUSS-CYFREDJKSA-N 0 0 451.929 4.865 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCC3)n2Cc2ncccc2N(C)C)cc1Br ZINC001361183281 1066505599 /nfs/dbraw/zinc/50/55/99/1066505599.db2.gz IPXZOGPQNMXYKD-UHFFFAOYSA-N 0 0 469.431 4.762 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)c2)o1 ZINC001361183280 1066505667 /nfs/dbraw/zinc/50/56/67/1066505667.db2.gz QEHQUFYXFODJFC-QIMBPPIPSA-N 0 0 454.571 4.957 20 0 JJADRN O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001444805796 1066506070 /nfs/dbraw/zinc/50/60/70/1066506070.db2.gz OTZKLNYBABGKEE-MRXNPFEDSA-N 0 0 455.805 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H]3c3ccccc3)nc2)CC1 ZINC001456080744 1066505977 /nfs/dbraw/zinc/50/59/77/1066505977.db2.gz DSXGTBIGCMHJFG-FCHUYYIVSA-N 0 0 450.583 4.661 20 0 JJADRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC001444807010 1066506573 /nfs/dbraw/zinc/50/65/73/1066506573.db2.gz PPDZPBOZTTUELM-ZWKOTPCHSA-N 0 0 459.331 4.737 20 0 JJADRN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456085651 1066506455 /nfs/dbraw/zinc/50/64/55/1066506455.db2.gz UCATYRRQGNPFFX-ZDUSSCGKSA-N 0 0 451.748 4.796 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC(C)(C)c2cccc(F)c2)o1 ZINC001361184324 1066507015 /nfs/dbraw/zinc/50/70/15/1066507015.db2.gz GOIWOPVPVSXEGV-UHFFFAOYSA-N 0 0 456.562 4.799 20 0 JJADRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001444807360 1066506997 /nfs/dbraw/zinc/50/69/97/1066506997.db2.gz JPWOJLICQLFTKZ-HRAATJIYSA-N 0 0 454.958 4.969 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C2CC2)nc1C ZINC001456087847 1066507074 /nfs/dbraw/zinc/50/70/74/1066507074.db2.gz OCKBFWTWQKRKEX-LBPRGKRZSA-N 0 0 456.486 4.901 20 0 JJADRN C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001456089047 1066507089 /nfs/dbraw/zinc/50/70/89/1066507089.db2.gz WTWRGFLHINAPKI-QGZVFWFLSA-N 0 0 458.990 4.609 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)Oc3ccccc3C)c2)cc1 ZINC001444810244 1066507772 /nfs/dbraw/zinc/50/77/72/1066507772.db2.gz JGDZCRBCPKPHPW-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811410 1066508252 /nfs/dbraw/zinc/50/82/52/1066508252.db2.gz NYKHMXYHRPICBU-RTBURBONSA-N 0 0 450.601 4.681 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1 ZINC001456098753 1066508750 /nfs/dbraw/zinc/50/87/50/1066508750.db2.gz MVVJOQTVOISRBX-FPOVZHCZSA-N 0 0 459.537 4.706 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](C)c3ccc(F)cc3F)cc2)cc1C ZINC001444816241 1066509003 /nfs/dbraw/zinc/50/90/03/1066509003.db2.gz WMAWJFZDJDTWFO-KRWDZBQOSA-N 0 0 458.530 4.916 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001361185129 1066509238 /nfs/dbraw/zinc/50/92/38/1066509238.db2.gz DEDSUJJLSUHSEH-UHFFFAOYSA-N 0 0 457.514 4.535 20 0 JJADRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCOc2cccc(I)c2)C1 ZINC001444819541 1066509332 /nfs/dbraw/zinc/50/93/32/1066509332.db2.gz UYNVPSJDCGWRRR-IFXJQAMLSA-N 0 0 453.295 4.809 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545969537 1066509506 /nfs/dbraw/zinc/50/95/06/1066509506.db2.gz ZJQWTNSPUIAAIS-GBESFXJTSA-N 0 0 459.660 4.887 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NCCC(=O)Nc3cc(C)c(Cl)cc3OC)s2)cc1 ZINC001361185785 1066509619 /nfs/dbraw/zinc/50/96/19/1066509619.db2.gz JYRWJCSDXQHIRG-UHFFFAOYSA-N 0 0 459.955 4.548 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC001456100639 1066509744 /nfs/dbraw/zinc/50/97/44/1066509744.db2.gz INEZDEAQCHSRPZ-RBUKOAKNSA-N 0 0 466.361 4.657 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001444823483 1066509850 /nfs/dbraw/zinc/50/98/50/1066509850.db2.gz FRZNKRCVROHMSR-UEQSERJNSA-N 0 0 456.627 4.862 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545969564 1066509872 /nfs/dbraw/zinc/50/98/72/1066509872.db2.gz ZRXICVJXROBYOE-IRXDYDNUSA-N 0 0 464.010 4.517 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c1 ZINC001361186938 1066510508 /nfs/dbraw/zinc/51/05/08/1066510508.db2.gz ZMUQWADJXSZXLD-RBUKOAKNSA-N 0 0 453.560 4.775 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C ZINC001361186934 1066510523 /nfs/dbraw/zinc/51/05/23/1066510523.db2.gz ZLAXYMBPRGXJHS-NRFANRHFSA-N 0 0 453.366 4.859 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCOC[C@@H]2C)cc1Br ZINC001361187302 1066511369 /nfs/dbraw/zinc/51/13/69/1066511369.db2.gz MBFDNEPSQPBJDY-RXVVDRJESA-N 0 0 491.474 4.942 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001546079523 1066511393 /nfs/dbraw/zinc/51/13/93/1066511393.db2.gz OEBVSQBTOQLEHG-MZNJEOGPSA-N 0 0 471.627 4.704 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3cccs3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361187321 1066511478 /nfs/dbraw/zinc/51/14/78/1066511478.db2.gz MOGKVQIJHOVFKC-UHFFFAOYSA-N 0 0 481.569 4.747 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC001444845133 1066511483 /nfs/dbraw/zinc/51/14/83/1066511483.db2.gz OJMJFGJEJAHZIO-OAHLLOKOSA-N 0 0 457.493 4.521 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)ccc2C)c1 ZINC001444850292 1066512035 /nfs/dbraw/zinc/51/20/35/1066512035.db2.gz AWMQKDUIVTVTKQ-KRWDZBQOSA-N 0 0 454.523 4.671 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)[C@@H]1c1ccccc1 ZINC001444850235 1066512094 /nfs/dbraw/zinc/51/20/94/1066512094.db2.gz AONIAZIPYLIHRJ-FPDPHYFHSA-N 0 0 459.359 4.660 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)[C@@H]1c1ccccc1 ZINC001444850243 1066512179 /nfs/dbraw/zinc/51/21/79/1066512179.db2.gz AONIAZIPYLIHRJ-YWMUFLPLSA-N 0 0 459.359 4.660 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC001456116048 1066512414 /nfs/dbraw/zinc/51/24/14/1066512414.db2.gz XFNRHYWSGOEEDR-OAQYLSRUSA-N 0 0 455.986 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC001361187569 1066512424 /nfs/dbraw/zinc/51/24/24/1066512424.db2.gz XJOIUWHNEUETNQ-PZJWPPBQSA-N 0 0 491.474 4.820 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001456116617 1066512452 /nfs/dbraw/zinc/51/24/52/1066512452.db2.gz FGIHZWZOHGZQFQ-UHFFFAOYSA-N 0 0 459.949 4.839 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001361187605 1066512475 /nfs/dbraw/zinc/51/24/75/1066512475.db2.gz YDTBNGSWJGOWBZ-UHFFFAOYSA-N 0 0 493.921 4.765 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCO[C@H]2CCOC2)C1 ZINC001546079574 1066512562 /nfs/dbraw/zinc/51/25/62/1066512562.db2.gz PEJGCFNFGAFQAN-WNCULLNHSA-N 0 0 470.658 4.977 20 0 JJADRN CCOC(=O)[C@@H](CC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C)C(C)=O ZINC001444850454 1066512698 /nfs/dbraw/zinc/51/26/98/1066512698.db2.gz BHPUPGJWBXMCTH-IBGZPJMESA-N 0 0 453.514 4.829 20 0 JJADRN O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC001444850525 1066512706 /nfs/dbraw/zinc/51/27/06/1066512706.db2.gz UTNHDXVPXGBGRS-UHFFFAOYSA-N 0 0 454.314 4.649 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(Br)c2I)[C@H]1c1ccccc1 ZINC001444853566 1066513000 /nfs/dbraw/zinc/51/30/00/1066513000.db2.gz HSUMLBYZZPGIJH-MEDUHNTESA-N 0 0 456.121 4.887 20 0 JJADRN CC(=O)Nc1cccc(OCCNC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 ZINC001456117492 1066513140 /nfs/dbraw/zinc/51/31/40/1066513140.db2.gz MGPIOQXOCXCYSZ-XMMPIXPASA-N 0 0 452.938 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)C[C@H]2CSCCS2)C1 ZINC001456117940 1066513734 /nfs/dbraw/zinc/51/37/34/1066513734.db2.gz BHCYRHURZDZYMI-UXHICEINSA-N 0 0 450.670 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3)n2C[C@@](C)(O)c2ccsc2)o1 ZINC001361188578 1066514160 /nfs/dbraw/zinc/51/41/60/1066514160.db2.gz ULPMZWWEMKBPFF-XMMPIXPASA-N 0 0 452.580 4.721 20 0 JJADRN O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]cc1Cc1ccccc1 ZINC001444860965 1066514165 /nfs/dbraw/zinc/51/41/65/1066514165.db2.gz SOGNLYQIUVDVPS-HXUWFJFHSA-N 0 0 456.386 4.804 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001456120463 1066514099 /nfs/dbraw/zinc/51/40/99/1066514099.db2.gz HSGUSUWFFADRLB-IBGZPJMESA-N 0 0 451.364 4.656 20 0 JJADRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001456120437 1066514213 /nfs/dbraw/zinc/51/42/13/1066514213.db2.gz SVSHUMJVWJQKMH-JOCHJYFZSA-N 0 0 452.551 4.515 20 0 JJADRN Cc1c(Br)cnn1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001456122124 1066514552 /nfs/dbraw/zinc/51/45/52/1066514552.db2.gz ZCMAFWKNISGWQX-UHFFFAOYSA-N 0 0 455.234 4.799 20 0 JJADRN O=C(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001361189005 1066514575 /nfs/dbraw/zinc/51/45/75/1066514575.db2.gz SBTRKEURHUSLDH-ILKSOTCGSA-N 0 0 454.466 4.546 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001456122108 1066514733 /nfs/dbraw/zinc/51/47/33/1066514733.db2.gz WRRJAAKKXRYSHM-UHFFFAOYSA-N 0 0 452.448 4.900 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001546079724 1066514770 /nfs/dbraw/zinc/51/47/70/1066514770.db2.gz SDIUUXOJKOCACF-RUZDIDTESA-N 0 0 453.562 4.853 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)c1 ZINC001444877860 1066515216 /nfs/dbraw/zinc/51/52/16/1066515216.db2.gz DEJKVCZWVUAWMB-NRFANRHFSA-N 0 0 454.611 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2Cc2ncccc2N(C)C)o1 ZINC001361190485 1066515613 /nfs/dbraw/zinc/51/56/13/1066515613.db2.gz JTGSCHAVHYYUNR-UHFFFAOYSA-N 0 0 466.973 4.524 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001456126529 1066515727 /nfs/dbraw/zinc/51/57/27/1066515727.db2.gz UQHVESXDRGNYMI-UHFFFAOYSA-N 0 0 454.155 4.651 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001444878212 1066515799 /nfs/dbraw/zinc/51/57/99/1066515799.db2.gz DORMRAMRVHJEKC-KRWDZBQOSA-N 0 0 458.530 4.743 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)c3cn(-c4ccccc4Br)nn3)c(C)c2c1 ZINC001456128010 1066516151 /nfs/dbraw/zinc/51/61/51/1066516151.db2.gz XBYCBDPXFNLXKG-ZDUSSCGKSA-N 0 0 455.312 4.584 20 0 JJADRN NC(=O)c1ccc(OCCC(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC001444887889 1066516388 /nfs/dbraw/zinc/51/63/88/1066516388.db2.gz UMOFDBLHPZSVIE-UHFFFAOYSA-N 0 0 458.436 4.682 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC001456128327 1066516785 /nfs/dbraw/zinc/51/67/85/1066516785.db2.gz OGMCOCZGVWHZBC-DOTOQJQBSA-N 0 0 450.004 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC001456129405 1066516878 /nfs/dbraw/zinc/51/68/78/1066516878.db2.gz VVAVZQFBHXYXNA-FXAWDEMLSA-N 0 0 473.614 4.798 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1)NC(=O)OC(C)(C)C ZINC001545970252 1066517841 /nfs/dbraw/zinc/51/78/41/1066517841.db2.gz ASJUAPBKMGMQDR-AFMDSPMNSA-N 0 0 487.645 4.652 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1OC ZINC001444910389 1066517911 /nfs/dbraw/zinc/51/79/11/1066517911.db2.gz TVBFWRYCPOMYNK-KCQAQPDRSA-N 0 0 450.457 4.808 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)N3CC[C@]4(C3)CCCCN4C(=O)OC(C)(C)C)c2)nn1 ZINC001456131804 1066517868 /nfs/dbraw/zinc/51/78/68/1066517868.db2.gz OZADMLZAIPLLGV-VWLOTQADSA-N 0 0 451.571 4.534 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)OCc3sc(-c4ccccc4)nc3C)CCC(=O)N2C)cc1 ZINC001456136535 1066518625 /nfs/dbraw/zinc/51/86/25/1066518625.db2.gz FJLCLAUBPMWEQO-OFNKIYASSA-N 0 0 450.560 4.780 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)C2)ncn1 ZINC001456136123 1066518706 /nfs/dbraw/zinc/51/87/06/1066518706.db2.gz JHUYNIGTHCPPDX-HXUWFJFHSA-N 0 0 455.484 4.519 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1C ZINC001456137099 1066518725 /nfs/dbraw/zinc/51/87/25/1066518725.db2.gz JZCBYNHGBWLTNZ-JAQLMMITSA-N 0 0 452.595 4.814 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccn(Cc2ccccc2)n1)C1CC1 ZINC001456135770 1066518740 /nfs/dbraw/zinc/51/87/40/1066518740.db2.gz IFKQOPZWBGDHOV-UHFFFAOYSA-N 0 0 454.368 4.897 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361191572 1066518749 /nfs/dbraw/zinc/51/87/49/1066518749.db2.gz YVPXQRGHCSBLIJ-IBGZPJMESA-N 0 0 476.463 4.802 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2ccc(Cn3cccc3)cc2)C1 ZINC001456137279 1066518782 /nfs/dbraw/zinc/51/87/82/1066518782.db2.gz KSSDUVWOGIDHHI-MWXKMJIESA-N 0 0 459.590 4.891 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cnc2n1CCCCC2 ZINC001456137571 1066518823 /nfs/dbraw/zinc/51/88/23/1066518823.db2.gz NIUIPGOBZSKPAI-UHFFFAOYSA-N 0 0 456.896 4.771 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccnc(N2CC[C@@H](C)C2)c1)C1CC1 ZINC001456138386 1066519168 /nfs/dbraw/zinc/51/91/68/1066519168.db2.gz OKQIMRIRTXTVEK-MRXNPFEDSA-N 0 0 458.400 4.894 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001456138095 1066519206 /nfs/dbraw/zinc/51/92/06/1066519206.db2.gz NXTRCJMWPYXYTO-JAQLMMITSA-N 0 0 452.570 4.890 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC001361192399 1066519292 /nfs/dbraw/zinc/51/92/92/1066519292.db2.gz KMCARBONSXETOA-AWEZNQCLSA-N 0 0 453.812 4.573 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)[C@@H](C)Oc1ccccc1Br)NC(=O)OC(C)(C)C ZINC001444935943 1066519979 /nfs/dbraw/zinc/51/99/79/1066519979.db2.gz OKPGFDPYVOPDJN-WBVHZDCISA-N 0 0 457.409 4.614 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)c1 ZINC001361193383 1066520065 /nfs/dbraw/zinc/52/00/65/1066520065.db2.gz URYVOMVLXVDDLD-AWEZNQCLSA-N 0 0 453.892 4.836 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1cccnc1Br)C1CC1 ZINC001456141260 1066520297 /nfs/dbraw/zinc/52/02/97/1066520297.db2.gz WEIHALLIVKPGDR-UHFFFAOYSA-N 0 0 454.162 4.810 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC001444943267 1066520477 /nfs/dbraw/zinc/52/04/77/1066520477.db2.gz IENCQDCPRUIIDU-UHFFFAOYSA-N 0 0 450.604 4.935 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(Cc1cccs1)C1CC1)NC(=O)OC(C)(C)C ZINC001545970493 1066520545 /nfs/dbraw/zinc/52/05/45/1066520545.db2.gz FRIKJTQCPDTAEW-QGZVFWFLSA-N 0 0 468.627 4.874 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001546079973 1066520631 /nfs/dbraw/zinc/52/06/31/1066520631.db2.gz XULRPKJODCMSOJ-ZBLYBZFDSA-N 0 0 469.674 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCOCC(F)F)cc1Br ZINC001361194254 1066520751 /nfs/dbraw/zinc/52/07/51/1066520751.db2.gz ILALUUXEPLZQLJ-UHFFFAOYSA-N 0 0 487.389 4.692 20 0 JJADRN CCCN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456143073 1066520800 /nfs/dbraw/zinc/52/08/00/1066520800.db2.gz MZJXEAGURQXLCV-GOSISDBHSA-N 0 0 455.020 4.504 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)CCSCc2ccccn2)C1 ZINC001456144737 1066521141 /nfs/dbraw/zinc/52/11/41/1066521141.db2.gz LHMZRJBURKNQPQ-LJQANCHMSA-N 0 0 455.624 4.825 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)CN(CC3CC3)C(=O)OC(C)(C)C)CCCC2)cc1C ZINC001444946283 1066521089 /nfs/dbraw/zinc/52/10/89/1066521089.db2.gz ASOVYRDIEMWCHZ-UHFFFAOYSA-N 0 0 457.615 4.566 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001444951061 1066521429 /nfs/dbraw/zinc/52/14/29/1066521429.db2.gz RIKGVTIUIHLYBM-UTKZUKDTSA-N 0 0 459.384 4.882 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC001456146541 1066521414 /nfs/dbraw/zinc/52/14/14/1066521414.db2.gz JYMJTIOZDMDAMV-LLVKDONJSA-N 0 0 452.960 4.806 20 0 JJADRN CCN(C(=O)c1cccc(N2CCCS2(=O)=O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001456146830 1066521518 /nfs/dbraw/zinc/52/15/18/1066521518.db2.gz SMZOGSNMNMTSEJ-XMMPIXPASA-N 0 0 452.551 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@](C)(O)C2CC2)cc1Br ZINC001361194877 1066521471 /nfs/dbraw/zinc/52/14/71/1066521471.db2.gz YRNVZHZEQIXKFF-QHCPKHFHSA-N 0 0 477.447 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC2=CCCCC2)cc1Br ZINC001361194883 1066521542 /nfs/dbraw/zinc/52/15/42/1066521542.db2.gz YVGXLXHOXGVGNU-UHFFFAOYSA-N 0 0 493.471 4.530 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)CCc1ccc(OC)cc1Br ZINC001456148413 1066522016 /nfs/dbraw/zinc/52/20/16/1066522016.db2.gz BFLQLKKSQVDMIJ-UHFFFAOYSA-N 0 0 458.755 4.858 20 0 JJADRN Cc1nc(CN2CCC(C(=O)Nc3cc(Br)cc(OC(C)C)c3)CC2)cs1 ZINC001444954815 1066521998 /nfs/dbraw/zinc/52/19/98/1066521998.db2.gz RXNXXXRUSWDCNX-UHFFFAOYSA-N 0 0 452.418 4.852 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)NC(=O)OC(C)(C)C ZINC001545970534 1066522101 /nfs/dbraw/zinc/52/21/01/1066522101.db2.gz GJMSUMQMRIMELH-JLDZCNIISA-N 0 0 495.455 4.664 20 0 JJADRN CC(=O)[C@@H]1C[C@H](C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1(C)C ZINC001456148235 1066522170 /nfs/dbraw/zinc/52/21/70/1066522170.db2.gz HPOLUWNFLJIFKC-VXNXHJTFSA-N 0 0 453.627 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2cccc(COCC(F)(F)F)c2)o1 ZINC001361195690 1066522436 /nfs/dbraw/zinc/52/24/36/1066522436.db2.gz DWCUEBJTVVNBPM-KRWDZBQOSA-N 0 0 478.515 4.977 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](c4ccsc4)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361195677 1066522451 /nfs/dbraw/zinc/52/24/51/1066522451.db2.gz DTDVKPWVPKSTMW-QFBILLFUSA-N 0 0 483.560 4.759 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCCOC(C)C)cc1Br ZINC001361195714 1066522517 /nfs/dbraw/zinc/52/25/17/1066522517.db2.gz FDJDALDBKKGKMV-QZTJIDSGSA-N 0 0 465.436 4.835 20 0 JJADRN Cc1nc(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)sc1Br ZINC001444955060 1066522609 /nfs/dbraw/zinc/52/26/09/1066522609.db2.gz LCRBXCLYCQNSRG-UHFFFAOYSA-N 0 0 450.402 4.760 20 0 JJADRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)C(F)(F)C1(O)CCCCC1 ZINC001444962421 1066522930 /nfs/dbraw/zinc/52/29/30/1066522930.db2.gz XMVCWMMICPKBGZ-HXUWFJFHSA-N 0 0 451.897 4.647 20 0 JJADRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)C(F)(F)C1(O)CCCCC1 ZINC001444962375 1066522974 /nfs/dbraw/zinc/52/29/74/1066522974.db2.gz XMVCWMMICPKBGZ-FQEVSTJZSA-N 0 0 451.897 4.647 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)COc1ccc(Br)cn1 ZINC001456150428 1066523346 /nfs/dbraw/zinc/52/33/46/1066523346.db2.gz SMEAQIZKSWYYKK-LLVKDONJSA-N 0 0 450.333 4.671 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCC(C)C)C1)Oc1ccccc1F ZINC001545970800 1066523525 /nfs/dbraw/zinc/52/35/25/1066523525.db2.gz MHSPRDREJWDGAJ-PMACEKPBSA-N 0 0 453.562 4.588 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361196199 1066523372 /nfs/dbraw/zinc/52/33/72/1066523372.db2.gz LQDAUZVJDVSUTG-ZIAGYGMSSA-N 0 0 467.426 4.991 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCc2cc(Br)ccc2F)o1 ZINC001361196139 1066523528 /nfs/dbraw/zinc/52/35/28/1066523528.db2.gz KSDIZYXQAYEDCO-OAHLLOKOSA-N 0 0 477.378 4.995 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C)(COC)CC1)NC(=O)OC(C)(C)C ZINC001545970882 1066523918 /nfs/dbraw/zinc/52/39/18/1066523918.db2.gz NKAJIEZVQJQHOU-GOSISDBHSA-N 0 0 475.609 4.640 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC(C)(C)CC1)NC(=O)OC(C)(C)C ZINC001545970970 1066524019 /nfs/dbraw/zinc/52/40/19/1066524019.db2.gz PPOVRUSFSFQWOO-GOSISDBHSA-N 0 0 457.619 4.883 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1OCC ZINC001456151767 1066524008 /nfs/dbraw/zinc/52/40/08/1066524008.db2.gz VECYHGLTDZBVGG-HSZRJFAPSA-N 0 0 458.643 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361196580 1066524490 /nfs/dbraw/zinc/52/44/90/1066524490.db2.gz SEZPPNLNJIZHQW-MRXNPFEDSA-N 0 0 488.474 4.934 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001456153272 1066524609 /nfs/dbraw/zinc/52/46/09/1066524609.db2.gz FVVWGWWSERCMSN-UHFFFAOYSA-N 0 0 456.340 4.710 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2csc(I)n2)cc1 ZINC001456157426 1066525044 /nfs/dbraw/zinc/52/50/44/1066525044.db2.gz LOFBUKBQALSEMJ-UHFFFAOYSA-N 0 0 450.301 4.778 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001444976893 1066525404 /nfs/dbraw/zinc/52/54/04/1066525404.db2.gz VQHNIFPTIIRCLW-KUHUBIRLSA-N 0 0 452.979 4.779 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC001444980010 1066525524 /nfs/dbraw/zinc/52/55/24/1066525524.db2.gz VJUPTXCYYYLFMB-UHFFFAOYSA-N 0 0 453.417 4.686 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC001456159561 1066525530 /nfs/dbraw/zinc/52/55/30/1066525530.db2.gz WNAWMSLSQIOFJX-NRFANRHFSA-N 0 0 454.567 4.820 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(OC)CC1)Oc1cccc(F)c1 ZINC001545971147 1066525610 /nfs/dbraw/zinc/52/56/10/1066525610.db2.gz SIKZOJTYUCARBW-CPJSRVTESA-N 0 0 453.562 4.732 20 0 JJADRN COC[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccc(C)o1 ZINC001361197564 1066525896 /nfs/dbraw/zinc/52/58/96/1066525896.db2.gz QPHZPDGRPYIAEO-GOSISDBHSA-N 0 0 455.336 4.799 20 0 JJADRN O=C(CCSc1ccccc1Br)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001361197835 1066525951 /nfs/dbraw/zinc/52/59/51/1066525951.db2.gz ZMMHSDPRIAWGEC-MRXNPFEDSA-N 0 0 453.789 4.506 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)n[nH]2)c1C ZINC001444985871 1066525945 /nfs/dbraw/zinc/52/59/45/1066525945.db2.gz KXSOCUPQPZJTNQ-HNNXBMFYSA-N 0 0 451.571 4.998 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](c3ccc(F)cc3F)C3CC3)cc2)cc1 ZINC001444980571 1066526008 /nfs/dbraw/zinc/52/60/08/1066526008.db2.gz XAMLBZVKUWQKFS-QHCPKHFHSA-N 0 0 456.514 4.955 20 0 JJADRN CCC1(CNC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)CC1 ZINC001361197656 1066525977 /nfs/dbraw/zinc/52/59/77/1066525977.db2.gz UJXYLLUWMZASQP-UHFFFAOYSA-N 0 0 450.608 4.862 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=CCC3)n2C[C@H]2CSCCS2)cc1Br ZINC001361198126 1066526354 /nfs/dbraw/zinc/52/63/54/1066526354.db2.gz JOADBYJUJIYTFB-INIZCTEOSA-N 0 0 451.459 4.631 20 0 JJADRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986026 1066526421 /nfs/dbraw/zinc/52/64/21/1066526421.db2.gz LCGTZQNLBIMCSX-RDTXWAMCSA-N 0 0 451.386 4.511 20 0 JJADRN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444986516 1066526442 /nfs/dbraw/zinc/52/64/42/1066526442.db2.gz LJPTUPSCPWUXCU-XMNZWCOLSA-N 0 0 450.579 4.576 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C12CCCCC2 ZINC001444988001 1066526451 /nfs/dbraw/zinc/52/64/51/1066526451.db2.gz AEXRRZOIKLDIAL-HSALFYBXSA-N 0 0 452.636 4.725 20 0 JJADRN CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986013 1066526509 /nfs/dbraw/zinc/52/65/09/1066526509.db2.gz LCGTZQNLBIMCSX-KBXCAEBGSA-N 0 0 451.386 4.511 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2[C@H]2C[C@H]2C)cc1Br ZINC001361198171 1066526825 /nfs/dbraw/zinc/52/68/25/1066526825.db2.gz KOUKBWVYVRXBMV-WBMJQRKESA-N 0 0 471.321 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001456167719 1066527068 /nfs/dbraw/zinc/52/70/68/1066527068.db2.gz YTVRAHSCYBHHLC-IRLDBZIGSA-N 0 0 456.608 4.666 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[C@@](C)(O)c2ccccc2)o1 ZINC001361198354 1066527317 /nfs/dbraw/zinc/52/73/17/1066527317.db2.gz PFOZNKTXARJERC-LYZGTLIUSA-N 0 0 493.652 4.521 20 0 JJADRN Cc1nc(CN2CCC(C(=O)NC(C)(C)Cc3cccc(Br)c3)CC2)cs1 ZINC001444993214 1066527398 /nfs/dbraw/zinc/52/73/98/1066527398.db2.gz UGCMSRUHCSHELX-UHFFFAOYSA-N 0 0 450.446 4.564 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cnn(-c3ccccc3)c2N)c2cc(F)ccc2F)c1 ZINC001444992286 1066527433 /nfs/dbraw/zinc/52/74/33/1066527433.db2.gz FJSBEEVKBZDBAM-QFIPXVFZSA-N 0 0 450.514 4.974 20 0 JJADRN Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)ccc21 ZINC001361198912 1066527669 /nfs/dbraw/zinc/52/76/69/1066527669.db2.gz GYZBOIUWRPVFCX-UHFFFAOYSA-N 0 0 459.980 4.535 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCCOc2ccc(F)cc2)o1 ZINC001361198664 1066527714 /nfs/dbraw/zinc/52/77/14/1066527714.db2.gz ZSRMWTDDIUUGFH-UHFFFAOYSA-N 0 0 483.588 4.538 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCc1ccccc1Sc1ccccc1 ZINC001456170614 1066527916 /nfs/dbraw/zinc/52/79/16/1066527916.db2.gz PUBCRSXZJUFAOF-UHFFFAOYSA-N 0 0 451.613 4.807 20 0 JJADRN CS(=O)(=O)Nc1ccccc1CC(=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001456170170 1066528000 /nfs/dbraw/zinc/52/80/00/1066528000.db2.gz GFKWICKTTSHLMC-UHFFFAOYSA-N 0 0 459.365 4.669 20 0 JJADRN CC(C)(C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456171012 1066528096 /nfs/dbraw/zinc/52/80/96/1066528096.db2.gz YJKFCGGOHDVUCA-DLBZAZTESA-N 0 0 450.284 4.922 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC001361199093 1066528192 /nfs/dbraw/zinc/52/81/92/1066528192.db2.gz LLSHRHPSZLFVRT-UHFFFAOYSA-N 0 0 456.692 4.657 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)COc2cccc3ccccc32)c2ccc(Cl)cc2)CCO1 ZINC001456173709 1066528604 /nfs/dbraw/zinc/52/86/04/1066528604.db2.gz MVKZTYFRHHJJAH-QHCPKHFHSA-N 0 0 452.982 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361199790 1066528566 /nfs/dbraw/zinc/52/85/66/1066528566.db2.gz IQYKOXMJCKBKHW-PMACEKPBSA-N 0 0 457.619 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C2CC(C(C)(C)C)C2)o1 ZINC001361199677 1066528576 /nfs/dbraw/zinc/52/85/76/1066528576.db2.gz HJJQNKVABVXYEO-UHFFFAOYSA-N 0 0 467.536 4.739 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H](C)Cc2cccs2)o1 ZINC001361199490 1066528625 /nfs/dbraw/zinc/52/86/25/1066528625.db2.gz FDUQIGSDKIIDAS-OAHLLOKOSA-N 0 0 495.571 4.682 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)o1 ZINC001361199902 1066528979 /nfs/dbraw/zinc/52/89/79/1066528979.db2.gz KGFTWXVJWSTDCH-ZWKOTPCHSA-N 0 0 455.559 4.536 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2ccccc2Cl)C1 ZINC001445005662 1066529120 /nfs/dbraw/zinc/52/91/20/1066529120.db2.gz AWCJOBORNYIRBC-GJZGRUSLSA-N 0 0 450.954 4.860 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001445009850 1066529451 /nfs/dbraw/zinc/52/94/51/1066529451.db2.gz XABVREVBNUZZSB-LJQANCHMSA-N 0 0 456.999 4.874 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)c1 ZINC001456179103 1066530425 /nfs/dbraw/zinc/53/04/25/1066530425.db2.gz QDRHQPVMFMWCLV-SANMLTNESA-N 0 0 452.551 4.559 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC001456178721 1066530453 /nfs/dbraw/zinc/53/04/53/1066530453.db2.gz OQXDMHUDLHVUBV-UHFFFAOYSA-N 0 0 451.748 4.990 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC001445025410 1066530457 /nfs/dbraw/zinc/53/04/57/1066530457.db2.gz BUTSPMNINZIBPJ-FQEVSTJZSA-N 0 0 457.574 4.829 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2Cc2ccc(Cl)cc2F)o1 ZINC001361200354 1066530499 /nfs/dbraw/zinc/53/04/99/1066530499.db2.gz ULNIDEHNOSKLOS-UHFFFAOYSA-N 0 0 499.896 4.582 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001456179071 1066530496 /nfs/dbraw/zinc/53/04/96/1066530496.db2.gz PVVLNFUCRJAOJW-UHFFFAOYSA-N 0 0 454.292 4.841 20 0 JJADRN COCCc1ccc(OCCCC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001456178522 1066530567 /nfs/dbraw/zinc/53/05/67/1066530567.db2.gz LVNJGMDGQFBGRE-UHFFFAOYSA-N 0 0 458.986 4.953 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545971521 1066530658 /nfs/dbraw/zinc/53/06/58/1066530658.db2.gz ZJJAHDFFXIETBY-HXUWFJFHSA-N 0 0 480.613 4.597 20 0 JJADRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(Oc3cccc(Cl)c3)cc1)CC2 ZINC001445026835 1066530880 /nfs/dbraw/zinc/53/08/80/1066530880.db2.gz HGXHMODVTDNNHV-UHFFFAOYSA-N 0 0 456.951 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCS2)o1 ZINC001361200514 1066530909 /nfs/dbraw/zinc/53/09/09/1066530909.db2.gz YOOSZPRDESWMPM-FHWLQOOXSA-N 0 0 475.659 4.872 20 0 JJADRN C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1O)Oc1cccc(Br)c1 ZINC001445036840 1066531474 /nfs/dbraw/zinc/53/14/74/1066531474.db2.gz UMVOMXNXDOCKOP-INIZCTEOSA-N 0 0 456.336 4.931 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC001445038306 1066531506 /nfs/dbraw/zinc/53/15/06/1066531506.db2.gz POEFHROWJXBBBD-KRWDZBQOSA-N 0 0 454.567 4.665 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC001445038307 1066531581 /nfs/dbraw/zinc/53/15/81/1066531581.db2.gz POEFHROWJXBBBD-QGZVFWFLSA-N 0 0 454.567 4.665 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4ccccc4)[C@H]3C)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361201712 1066531790 /nfs/dbraw/zinc/53/17/90/1066531790.db2.gz HWRDOTNUQVDDNJ-UYAOXDASSA-N 0 0 451.571 4.754 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1Br ZINC001361201747 1066531817 /nfs/dbraw/zinc/53/18/17/1066531817.db2.gz ILCMJUIALZUMFP-SZNDQCEHSA-N 0 0 461.429 4.831 20 0 JJADRN CCC1(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC001456184836 1066531811 /nfs/dbraw/zinc/53/18/11/1066531811.db2.gz JUEDXJJWLDXZFK-FQEVSTJZSA-N 0 0 454.636 4.935 20 0 JJADRN O=C(NCc1sncc1Br)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001456184091 1066531899 /nfs/dbraw/zinc/53/18/99/1066531899.db2.gz NLHDDQZLQXTQFH-UHFFFAOYSA-N 0 0 459.300 4.692 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2cc(C)cc(I)c2)cc1 ZINC001456184498 1066532044 /nfs/dbraw/zinc/53/20/44/1066532044.db2.gz GWAYHZBFEJBTHE-AWEZNQCLSA-N 0 0 455.361 4.829 20 0 JJADRN C[C@H](CNC(=O)c1ccc(NCCc2ccccn2)cc1)Oc1cccc(Br)c1 ZINC001445039481 1066531977 /nfs/dbraw/zinc/53/19/77/1066531977.db2.gz YPSHFDTXHPWVCO-QGZVFWFLSA-N 0 0 454.368 4.696 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCc2ccc(F)c3c2CCCC3)C1 ZINC001445039913 1066532123 /nfs/dbraw/zinc/53/21/23/1066532123.db2.gz PTJNTBKHYNMTDJ-GOSISDBHSA-N 0 0 456.524 4.677 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(NCCc2ccccn2)cc1)Oc1cccc(Br)c1 ZINC001445039480 1066532159 /nfs/dbraw/zinc/53/21/59/1066532159.db2.gz YPSHFDTXHPWVCO-KRWDZBQOSA-N 0 0 454.368 4.696 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC001361202243 1066532295 /nfs/dbraw/zinc/53/22/95/1066532295.db2.gz GJJHTKHOQIKVEH-AUSIDOKSSA-N 0 0 458.624 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361202160 1066532423 /nfs/dbraw/zinc/53/24/23/1066532423.db2.gz NCCZZZKFPNWKLB-QGZVFWFLSA-N 0 0 476.463 4.661 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(-c2ccc(Cl)s2)n1 ZINC001456185853 1066532441 /nfs/dbraw/zinc/53/24/41/1066532441.db2.gz CQCOUTJWGBFDGA-UHFFFAOYSA-N 0 0 452.001 4.768 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C(=O)N1c1ccccc1 ZINC001361203020 1066532840 /nfs/dbraw/zinc/53/28/40/1066532840.db2.gz NSXQPDZVSZZLFO-YWZLYKJASA-N 0 0 455.436 4.817 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N[C@H](C)c3nc(-c4cccc(F)c4)no3)c2c1C ZINC001445046526 1066533004 /nfs/dbraw/zinc/53/30/04/1066533004.db2.gz KNOKBJUGQFRWSK-GFCCVEGCSA-N 0 0 457.556 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361203160 1066533271 /nfs/dbraw/zinc/53/32/71/1066533271.db2.gz XZTSBZMHHNNEMK-NLWGTHIKSA-N 0 0 457.619 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](c4ccco4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361203084 1066533389 /nfs/dbraw/zinc/53/33/89/1066533389.db2.gz WUBQZYDNWJFVHE-OALUTQOASA-N 0 0 469.586 4.983 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001456189044 1066533415 /nfs/dbraw/zinc/53/34/15/1066533415.db2.gz UZFLXVRDGLUJJK-HMFYCAOWSA-N 0 0 452.998 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361203958 1066533568 /nfs/dbraw/zinc/53/35/68/1066533568.db2.gz HDBCFZWFFCQCHK-UHFFFAOYSA-N 0 0 464.488 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ncc(C)s4)CC3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361203805 1066533618 /nfs/dbraw/zinc/53/36/18/1066533618.db2.gz BPNINODLLZWQBX-UHFFFAOYSA-N 0 0 487.523 4.912 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1 ZINC001456191674 1066533729 /nfs/dbraw/zinc/53/37/29/1066533729.db2.gz OJDBHKQFUSMBPD-UHFFFAOYSA-N 0 0 454.498 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccccc2)o1 ZINC001361203987 1066534095 /nfs/dbraw/zinc/53/40/95/1066534095.db2.gz IITPGWUKMTVVHY-FQEVSTJZSA-N 0 0 451.571 4.588 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)o1 ZINC001361204045 1066534291 /nfs/dbraw/zinc/53/42/91/1066534291.db2.gz KDBKFIZPOFSPHZ-QGZVFWFLSA-N 0 0 457.600 4.650 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c2cccnc2c1C ZINC001445052884 1066534418 /nfs/dbraw/zinc/53/44/18/1066534418.db2.gz GBDYWLRBQXQWPU-UHFFFAOYSA-N 0 0 451.573 4.644 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001445052928 1066534423 /nfs/dbraw/zinc/53/44/23/1066534423.db2.gz GBGFBHZOWIWDGR-MYIHVTGJSA-N 0 0 450.579 4.520 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)NCc3ccc(C(=O)OC(C)(C)C)cc3)[nH]n2)c1C ZINC001445054419 1066534476 /nfs/dbraw/zinc/53/44/76/1066534476.db2.gz KKONONWKIHYVSY-UHFFFAOYSA-N 0 0 451.571 4.575 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CCC4(CC3)CN(C(=O)OC(C)(C)C)CCO4)CCC2)cc1 ZINC001456196546 1066534632 /nfs/dbraw/zinc/53/46/32/1066534632.db2.gz CSHWJDVLOZEMFK-UHFFFAOYSA-N 0 0 456.627 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@H](C)O)cc2)o1 ZINC001361204123 1066534702 /nfs/dbraw/zinc/53/47/02/1066534702.db2.gz MZESPVYYORDDJA-FPOVZHCZSA-N 0 0 495.624 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361204350 1066535046 /nfs/dbraw/zinc/53/50/46/1066535046.db2.gz UABKZQMBQUVRKL-QZTJIDSGSA-N 0 0 467.536 4.835 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NC3(c4ccccc4)CCOCC3)cc2)c(C)c1Br ZINC001456198612 1066535236 /nfs/dbraw/zinc/53/52/36/1066535236.db2.gz QWOHUIDOODQTOS-UHFFFAOYSA-N 0 0 454.368 4.687 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456198592 1066535333 /nfs/dbraw/zinc/53/53/33/1066535333.db2.gz XCQYDHXGVLCQRG-CLOONOSVSA-N 0 0 450.623 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC001445059467 1066535326 /nfs/dbraw/zinc/53/53/26/1066535326.db2.gz YEQOWIUAVVKGQC-QGZVFWFLSA-N 0 0 451.292 4.599 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)CC2 ZINC001456199961 1066535645 /nfs/dbraw/zinc/53/56/45/1066535645.db2.gz VINJCKZMPJNATN-MJGOQNOKSA-N 0 0 451.405 4.726 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)C[C@H](NC(N)=O)c2cccs2)C(C)C)cc1 ZINC001445060102 1066535707 /nfs/dbraw/zinc/53/57/07/1066535707.db2.gz ZRAKSLNOPAXCAO-NRFANRHFSA-N 0 0 451.592 4.960 20 0 JJADRN O=C(/C=C/C1CCOCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445060106 1066535745 /nfs/dbraw/zinc/53/57/45/1066535745.db2.gz ZRROIGJZUSVKIH-VMPITWQZSA-N 0 0 455.363 4.716 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001361204890 1066536027 /nfs/dbraw/zinc/53/60/27/1066536027.db2.gz NNEOPJBSABWRKN-IBGZPJMESA-N 0 0 456.446 4.898 20 0 JJADRN Cc1nc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1I ZINC001361205323 1066536495 /nfs/dbraw/zinc/53/64/95/1066536495.db2.gz VUOVMAKMXODDRE-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200368 1066536341 /nfs/dbraw/zinc/53/63/41/1066536341.db2.gz WHWRVLHSBWTMQB-HBGVWJBISA-N 0 0 459.512 4.543 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1Br ZINC001456201994 1066536670 /nfs/dbraw/zinc/53/66/70/1066536670.db2.gz POFMQSPJKIONCY-NSHDSACASA-N 0 0 454.162 4.531 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2Cc2sccc2C)o1 ZINC001361205520 1066536783 /nfs/dbraw/zinc/53/67/83/1066536783.db2.gz KSTRLSHPEFQXIJ-KRWDZBQOSA-N 0 0 457.600 4.616 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 ZINC001456201587 1066536727 /nfs/dbraw/zinc/53/67/27/1066536727.db2.gz ZSLDEDNNIRWCKC-UHFFFAOYSA-N 0 0 456.930 4.628 20 0 JJADRN CS[C@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001445081462 1066537040 /nfs/dbraw/zinc/53/70/40/1066537040.db2.gz NJUWUVNERAJBEN-CVEARBPZSA-N 0 0 456.992 4.602 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Cc1ccc(I)cc1 ZINC001456201325 1066536933 /nfs/dbraw/zinc/53/69/33/1066536933.db2.gz IDSLCQKJNNUZHW-SFHVURJKSA-N 0 0 455.311 4.583 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc(I)ccc1F ZINC001456204714 1066537216 /nfs/dbraw/zinc/53/72/16/1066537216.db2.gz UKAKSUMNPGMHIT-KRWDZBQOSA-N 0 0 459.274 4.793 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@@H](C)C(=O)Nc2ccccc2)s1 ZINC001456204031 1066537247 /nfs/dbraw/zinc/53/72/47/1066537247.db2.gz YIEDMYXVXLZULK-ZDUSSCGKSA-N 0 0 452.561 4.642 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCO[C@H]2C(C)C)cc1Br ZINC001361205719 1066537338 /nfs/dbraw/zinc/53/73/38/1066537338.db2.gz QOVLGCKKUCNKLH-IRLDBZIGSA-N 0 0 491.474 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cc1Br ZINC001361205720 1066537502 /nfs/dbraw/zinc/53/75/02/1066537502.db2.gz QOVLGCKKUCNKLH-RBBKRZOGSA-N 0 0 491.474 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1Br ZINC001361205630 1066537523 /nfs/dbraw/zinc/53/75/23/1066537523.db2.gz NTUSOITYCPYCTG-MRXNPFEDSA-N 0 0 469.374 4.660 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc(I)ccc1F ZINC001456204723 1066537667 /nfs/dbraw/zinc/53/76/67/1066537667.db2.gz UKAKSUMNPGMHIT-QGZVFWFLSA-N 0 0 459.274 4.793 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c(OC)c1 ZINC001456207183 1066537689 /nfs/dbraw/zinc/53/76/89/1066537689.db2.gz SGBKVHGWSPNLQJ-UHFFFAOYSA-N 0 0 450.466 4.632 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001456205707 1066537777 /nfs/dbraw/zinc/53/77/77/1066537777.db2.gz XQEMGXTVJHGJMS-UHFFFAOYSA-N 0 0 450.352 4.581 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CC(OCCCc2ccccc2)C1 ZINC001445084036 1066537943 /nfs/dbraw/zinc/53/79/43/1066537943.db2.gz VQHHMFAJFCJMNU-UHFFFAOYSA-N 0 0 456.995 4.778 20 0 JJADRN COc1cncc(C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)n1 ZINC001456210483 1066538104 /nfs/dbraw/zinc/53/81/04/1066538104.db2.gz JFSLDVYPFVVJEJ-UHFFFAOYSA-N 0 0 454.324 4.845 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001456210843 1066538153 /nfs/dbraw/zinc/53/81/53/1066538153.db2.gz CWBRJJIDYRWXAK-UHFFFAOYSA-N 0 0 458.002 4.635 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3c(C)cc(C)c(Br)c3C)CC2)cc1 ZINC001445088332 1066538586 /nfs/dbraw/zinc/53/85/86/1066538586.db2.gz ZIJLZJLVKODHKE-UHFFFAOYSA-N 0 0 457.412 4.851 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3cc(Br)ccc3-n3cccn3)cc2)C[C@H](C)O1 ZINC001456212562 1066538593 /nfs/dbraw/zinc/53/85/93/1066538593.db2.gz MBHBMJOBGHKVAD-HOTGVXAUSA-N 0 0 455.356 4.501 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC001456211784 1066538619 /nfs/dbraw/zinc/53/86/19/1066538619.db2.gz IYQBAYUCICFRIB-AWEZNQCLSA-N 0 0 453.764 4.747 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)NC[C@H]1CCOc2ccccc21 ZINC001456213603 1066538620 /nfs/dbraw/zinc/53/86/20/1066538620.db2.gz OUJQZSDISAFECQ-JOCHJYFZSA-N 0 0 450.579 4.936 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc2cncc(Br)c2n1 ZINC001456215924 1066539007 /nfs/dbraw/zinc/53/90/07/1066539007.db2.gz VVKFGLNHNFIAMQ-UHFFFAOYSA-N 0 0 456.687 4.880 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445097354 1066539077 /nfs/dbraw/zinc/53/90/77/1066539077.db2.gz VYVCWVVMLNQEPH-QGZVFWFLSA-N 0 0 452.407 4.592 20 0 JJADRN C[C@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445094631 1066539115 /nfs/dbraw/zinc/53/91/15/1066539115.db2.gz PVBODVRJJPMRJE-AWEZNQCLSA-N 0 0 455.357 4.740 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445100766 1066539628 /nfs/dbraw/zinc/53/96/28/1066539628.db2.gz YUIJKNPQEBBEDI-QWHCGFSZSA-N 0 0 455.393 4.592 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCC3(c4ccc(C(C)C)cc4)CCCC3)C2)c1 ZINC001456219555 1066540055 /nfs/dbraw/zinc/54/00/55/1066540055.db2.gz LYISRWFLRWMDGV-RUZDIDTESA-N 0 0 450.579 4.948 20 0 JJADRN O=C(c1ccc(Cn2cc(Br)cn2)s1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001445117421 1066540174 /nfs/dbraw/zinc/54/01/74/1066540174.db2.gz YQYIHDBZCRDCKG-UHFFFAOYSA-N 0 0 450.789 4.724 20 0 JJADRN O=C([C@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CC[C@@H](c2cnccn2)C1 ZINC001456222234 1066540341 /nfs/dbraw/zinc/54/03/41/1066540341.db2.gz WVWURWANNLICLY-IIBYNOLFSA-N 0 0 456.315 4.514 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2ccc(F)cc2)o1 ZINC001361207605 1066540502 /nfs/dbraw/zinc/54/05/02/1066540502.db2.gz WDHJMHMZIRLDCL-OXQOHEQNSA-N 0 0 469.561 4.893 20 0 JJADRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC001445155456 1066540708 /nfs/dbraw/zinc/54/07/08/1066540708.db2.gz IIPJPKGSIXLYQE-OAQYLSRUSA-N 0 0 458.624 4.809 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)c2c1 ZINC001456228598 1066540760 /nfs/dbraw/zinc/54/07/60/1066540760.db2.gz VJMVMCIDYIBEGO-UHFFFAOYSA-N 0 0 456.539 4.888 20 0 JJADRN Cc1c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cnn1-c1ccccc1F ZINC001456227006 1066540872 /nfs/dbraw/zinc/54/08/72/1066540872.db2.gz QPKQSOMSLOZGNM-UHFFFAOYSA-N 0 0 455.555 4.820 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(Br)cnc2Br)cc1 ZINC001456234593 1066541199 /nfs/dbraw/zinc/54/11/99/1066541199.db2.gz APFAUCDKCFVKCH-HNNXBMFYSA-N 0 0 456.203 4.845 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001456233186 1066541335 /nfs/dbraw/zinc/54/13/35/1066541335.db2.gz DKVUVHWMGOSIBT-MJGOQNOKSA-N 0 0 453.574 4.722 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545972388 1066541670 /nfs/dbraw/zinc/54/16/70/1066541670.db2.gz FGACMXVJMACAII-OAQYLSRUSA-N 0 0 453.562 4.590 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3c(C)[nH]c4ccc(Cl)cc43)CCCC2)cc1OC ZINC001445163912 1066541719 /nfs/dbraw/zinc/54/17/19/1066541719.db2.gz RSNWCLWXSSNGTO-UHFFFAOYSA-N 0 0 455.942 4.828 20 0 JJADRN CCc1c(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cnn1-c1ccccc1Cl ZINC001456237348 1066541755 /nfs/dbraw/zinc/54/17/55/1066541755.db2.gz XSGJCVIHBDJBRS-UHFFFAOYSA-N 0 0 451.880 4.850 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C1CC1 ZINC001456238712 1066542286 /nfs/dbraw/zinc/54/22/86/1066542286.db2.gz DAVSHUDCYJUFBG-OAQYLSRUSA-N 0 0 453.336 4.736 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001456238356 1066542298 /nfs/dbraw/zinc/54/22/98/1066542298.db2.gz CYWYIYJAVXDFTA-LOSJGSFVSA-N 0 0 456.558 4.571 20 0 JJADRN COC[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001456239670 1066542639 /nfs/dbraw/zinc/54/26/39/1066542639.db2.gz BUUUQNMFFHEUJV-NVXWUHKLSA-N 0 0 458.274 4.838 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1cnc(-c2ccccc2)s1 ZINC001445170293 1066542764 /nfs/dbraw/zinc/54/27/64/1066542764.db2.gz AQXSJZJFSMDVAR-QHCPKHFHSA-N 0 0 457.555 4.693 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Oc4ccc(F)cc4F)CC3)n2CCCCCCO)o1 ZINC001361209322 1066542881 /nfs/dbraw/zinc/54/28/81/1066542881.db2.gz UJPOBMIWGFLTRT-UHFFFAOYSA-N 0 0 460.525 4.725 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)C2)c1 ZINC001445171768 1066542913 /nfs/dbraw/zinc/54/29/13/1066542913.db2.gz HPAKSZGEEJJSEC-GOSISDBHSA-N 0 0 453.926 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)NCc1ccccc1OC(C)(C)C ZINC001361209621 1066543230 /nfs/dbraw/zinc/54/32/30/1066543230.db2.gz FRRZVOTWQOPNMS-QFIPXVFZSA-N 0 0 454.567 4.851 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC ZINC001456241367 1066543197 /nfs/dbraw/zinc/54/31/97/1066543197.db2.gz GCQGIQZZULPOCF-CQSZACIVSA-N 0 0 452.486 4.920 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361210463 1066543682 /nfs/dbraw/zinc/54/36/82/1066543682.db2.gz LCVANTFWEDEJNM-INIZCTEOSA-N 0 0 483.336 4.577 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(F)c(I)c3)s2)c1 ZINC001456244084 1066544094 /nfs/dbraw/zinc/54/40/94/1066544094.db2.gz CJLJOYGZGLSOLI-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCCOC2)cc1Br ZINC001361210496 1066544274 /nfs/dbraw/zinc/54/42/74/1066544274.db2.gz LXCRFJKWYODBIS-OAHLLOKOSA-N 0 0 496.247 4.932 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC3(C)C)c2)cc1 ZINC001445188667 1066544356 /nfs/dbraw/zinc/54/43/56/1066544356.db2.gz UQZSORNRPUDCDG-FQEVSTJZSA-N 0 0 450.988 4.848 20 0 JJADRN COc1cccc(CNC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)c1OC1CCCC1 ZINC001456244122 1066544232 /nfs/dbraw/zinc/54/42/32/1066544232.db2.gz RCVMLXLWBOBNIU-UHFFFAOYSA-N 0 0 450.457 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361210602 1066544290 /nfs/dbraw/zinc/54/42/90/1066544290.db2.gz PDUJAXFXDQYKOW-QVKFZJNVSA-N 0 0 470.442 4.778 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)OC ZINC001545972504 1066544806 /nfs/dbraw/zinc/54/48/06/1066544806.db2.gz HSYNWUHGMFVHAT-OAQYLSRUSA-N 0 0 451.615 4.696 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)CCCOc3ccc(C(C)(C)C)cc3C)C2)c1 ZINC001361211250 1066544974 /nfs/dbraw/zinc/54/49/74/1066544974.db2.gz KFENXQCLVNAVRF-NRFANRHFSA-N 0 0 454.611 4.864 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CC2 ZINC001456246143 1066545165 /nfs/dbraw/zinc/54/51/65/1066545165.db2.gz GOSDASBVVPQFMB-UHFFFAOYSA-N 0 0 458.942 4.599 20 0 JJADRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)C1 ZINC001445210075 1066545290 /nfs/dbraw/zinc/54/52/90/1066545290.db2.gz PZRDDWXARLSSMQ-FWQZJQRASA-N 0 0 450.029 4.858 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC001445209733 1066545300 /nfs/dbraw/zinc/54/53/00/1066545300.db2.gz DCSDDHISJPYFIQ-SIKLNZKXSA-N 0 0 459.656 4.866 20 0 JJADRN Cc1c(C(=O)OCc2cccc(OC(F)(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001361211674 1066545516 /nfs/dbraw/zinc/54/55/16/1066545516.db2.gz WUDDDJTUNZZAQT-UHFFFAOYSA-N 0 0 459.346 4.909 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)o1 ZINC001361211788 1066545567 /nfs/dbraw/zinc/54/55/67/1066545567.db2.gz AKESEMXITXRJEN-FQEVSTJZSA-N 0 0 487.645 4.747 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Br)ccc2NC2CC2)c1 ZINC001445214223 1066545820 /nfs/dbraw/zinc/54/58/20/1066545820.db2.gz FFXYONWMFLMXJX-UHFFFAOYSA-N 0 0 457.777 4.723 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(C)CCCS2)o1 ZINC001361211890 1066545998 /nfs/dbraw/zinc/54/59/98/1066545998.db2.gz CLOFZTNBQARHPJ-UUOWRZLLSA-N 0 0 459.660 4.511 20 0 JJADRN COc1cccc(C(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c2cccc(OC)c2)c1 ZINC001445217001 1066546100 /nfs/dbraw/zinc/54/61/00/1066546100.db2.gz BXUSZGIQKCURLS-WIYYLYMNSA-N 0 0 468.594 4.945 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3cc4c(Cl)cccc4nc3C)CC2)cs1 ZINC001445217433 1066546113 /nfs/dbraw/zinc/54/61/13/1066546113.db2.gz TXLRSIKXEQFUOI-MRXNPFEDSA-N 0 0 459.015 4.709 20 0 JJADRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456251495 1066546173 /nfs/dbraw/zinc/54/61/73/1066546173.db2.gz QEPZTZHZECIUBJ-YUNKPMOVSA-N 0 0 458.301 4.808 20 0 JJADRN CN1CCCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c2ccc(F)cc21 ZINC001445219696 1066546205 /nfs/dbraw/zinc/54/62/05/1066546205.db2.gz SXQXRIITSMIUHK-UHFFFAOYSA-N 0 0 453.558 4.535 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1)C(C)C ZINC001456252016 1066546521 /nfs/dbraw/zinc/54/65/21/1066546521.db2.gz NSSVOHSNMMMDGQ-XMMPIXPASA-N 0 0 451.567 4.573 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC001456251432 1066546583 /nfs/dbraw/zinc/54/65/83/1066546583.db2.gz WGPNYBITPPEVOU-RTWAWAEBSA-N 0 0 458.990 4.639 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(F)cccc3NC3CC3)c2)cc1 ZINC001445220930 1066546616 /nfs/dbraw/zinc/54/66/16/1066546616.db2.gz XSGZVIWOORBAGZ-UHFFFAOYSA-N 0 0 453.539 4.786 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2(CC(C)C)CC2)cc1Br ZINC001361212201 1066546825 /nfs/dbraw/zinc/54/68/25/1066546825.db2.gz JESINGWIBVBNTR-GOSISDBHSA-N 0 0 488.474 4.934 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CCCC2(C)C)cc1Br ZINC001361212179 1066546983 /nfs/dbraw/zinc/54/69/83/1066546983.db2.gz ISVWHYDYWFVHJO-HKUYNNGSSA-N 0 0 488.474 4.934 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3OC(C)C)C2)s1 ZINC001456251542 1066547020 /nfs/dbraw/zinc/54/70/20/1066547020.db2.gz WUFPYOWLKIIMFM-HNNXBMFYSA-N 0 0 457.017 4.537 20 0 JJADRN COC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1cccc(C(F)(F)F)c1 ZINC001456251558 1066547060 /nfs/dbraw/zinc/54/70/60/1066547060.db2.gz WURWIOJTIHZHTG-NQIIRXRSSA-N 0 0 456.464 4.715 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3OC)cc2)c1C ZINC001456251785 1066547082 /nfs/dbraw/zinc/54/70/82/1066547082.db2.gz XTJDCRNIZWTGMC-UHFFFAOYSA-N 0 0 455.942 4.533 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC001545972736 1066547181 /nfs/dbraw/zinc/54/71/81/1066547181.db2.gz LTODPCKGEIOEHP-RTWAWAEBSA-N 0 0 476.625 4.980 20 0 JJADRN CC(=O)c1cccc(OCC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 ZINC001456254362 1066547489 /nfs/dbraw/zinc/54/74/89/1066547489.db2.gz ZRZPZTZXQYEFKK-UHFFFAOYSA-N 0 0 458.301 4.861 20 0 JJADRN O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229319 1066547448 /nfs/dbraw/zinc/54/74/48/1066547448.db2.gz AETCAWLIDXGCJI-ZWKOTPCHSA-N 0 0 451.325 4.555 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CCCOC[C@@H]2CCCO2)cc1Br ZINC001361212488 1066547450 /nfs/dbraw/zinc/54/74/50/1066547450.db2.gz MVEUQFVYBGUZCF-PXNSSMCTSA-N 0 0 477.447 4.838 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cc(F)c(F)cc1I ZINC001361212598 1066547540 /nfs/dbraw/zinc/54/75/40/1066547540.db2.gz FXWDHQHJCYXSJE-UHFFFAOYSA-N 0 0 458.177 4.924 20 0 JJADRN CC(C)Nc1ccc(Br)cc1NC(=O)c1cn2c(Br)cnc2s1 ZINC001445228987 1066547627 /nfs/dbraw/zinc/54/76/27/1066547627.db2.gz XTYVGEAHIMQBTC-UHFFFAOYSA-N 0 0 458.179 4.993 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCc4ccccc4[C@@H]3C(=O)OC)s2)cc1 ZINC001361213061 1066547851 /nfs/dbraw/zinc/54/78/51/1066547851.db2.gz NSLOWLPSLBMFRM-OAQYLSRUSA-N 0 0 450.560 4.684 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445230825 1066547969 /nfs/dbraw/zinc/54/79/69/1066547969.db2.gz FUIHWUQSSOLXMP-DYVFJYSZSA-N 0 0 455.769 4.835 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccccc1NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001445231906 1066548028 /nfs/dbraw/zinc/54/80/28/1066548028.db2.gz KECZIBIYRAFVNX-JOCHJYFZSA-N 0 0 456.373 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[C@H]2CCCCO2)o1 ZINC001361213775 1066548706 /nfs/dbraw/zinc/54/87/06/1066548706.db2.gz AOASMSJMXDQLGC-MSOLQXFVSA-N 0 0 456.509 4.744 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[C@@H]2CCCCO2)o1 ZINC001361213777 1066548725 /nfs/dbraw/zinc/54/87/25/1066548725.db2.gz AOASMSJMXDQLGC-ROUUACIJSA-N 0 0 456.509 4.744 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)c2cc(I)cc(C(F)(F)F)c2)n1 ZINC001456262106 1066548951 /nfs/dbraw/zinc/54/89/51/1066548951.db2.gz APDBMVGDUURONX-UHFFFAOYSA-N 0 0 454.255 4.740 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCN(C)c2ccccc2)o1 ZINC001361213877 1066549101 /nfs/dbraw/zinc/54/91/01/1066549101.db2.gz CQLYSRYWPCSFNG-JOCHJYFZSA-N 0 0 494.640 4.819 20 0 JJADRN CN(C)c1cc(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccn1 ZINC001445258012 1066549046 /nfs/dbraw/zinc/54/90/46/1066549046.db2.gz GKVQKMLNJWJFLT-UHFFFAOYSA-N 0 0 458.562 4.795 20 0 JJADRN COCCc1nc2cc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)ccc2o1 ZINC001445263155 1066549561 /nfs/dbraw/zinc/54/95/61/1066549561.db2.gz RNYOWEQLCBIRPX-UHFFFAOYSA-N 0 0 457.552 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCOc2ccccc2C(C)C)o1 ZINC001361214041 1066549647 /nfs/dbraw/zinc/54/96/47/1066549647.db2.gz HMXQCVCLXQCGRL-OAQYLSRUSA-N 0 0 479.625 4.790 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)c2ccccc2)o1 ZINC001361214067 1066549689 /nfs/dbraw/zinc/54/96/89/1066549689.db2.gz HXTAOTUJNZNGLJ-CTNGQTDRSA-N 0 0 494.640 4.865 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[C@H]2CCO[C@@H](C)C2)o1 ZINC001361214201 1066549763 /nfs/dbraw/zinc/54/97/63/1066549763.db2.gz KQIMOHNBXHFVBD-ACRUOGEOSA-N 0 0 487.645 4.887 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC001456266439 1066549676 /nfs/dbraw/zinc/54/96/76/1066549676.db2.gz BAVPKXDRGMCORG-UHFFFAOYSA-N 0 0 450.535 4.974 20 0 JJADRN COCCc1nc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3Br)ccc2o1 ZINC001445259098 1066549721 /nfs/dbraw/zinc/54/97/21/1066549721.db2.gz BGSZEBCGAHYPMQ-UHFFFAOYSA-N 0 0 459.218 4.930 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)COCc2ccccc2)o1 ZINC001361214391 1066550148 /nfs/dbraw/zinc/55/01/48/1066550148.db2.gz OHGPGANYGVGVJX-REWPJTCUSA-N 0 0 493.652 4.831 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(I)cc2Cl)cc1OC ZINC001456267187 1066550078 /nfs/dbraw/zinc/55/00/78/1066550078.db2.gz KXOHXDVWGUYYFG-LLVKDONJSA-N 0 0 459.711 4.761 20 0 JJADRN O=C(CN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccccc1)N1CCCCC1 ZINC001456266993 1066550161 /nfs/dbraw/zinc/55/01/61/1066550161.db2.gz JVEPGMXVOZMMNF-UHFFFAOYSA-N 0 0 454.420 4.549 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)c2ccccc21 ZINC001456269842 1066550759 /nfs/dbraw/zinc/55/07/59/1066550759.db2.gz ZQFWFTIPAQRUKW-LJQANCHMSA-N 0 0 454.592 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2Cc2ccc(OC(C)C)cc2)o1 ZINC001361214577 1066550594 /nfs/dbraw/zinc/55/05/94/1066550594.db2.gz SAPNTJZYNWZHSA-QFIPXVFZSA-N 0 0 479.625 4.671 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2)o1 ZINC001361214463 1066550635 /nfs/dbraw/zinc/55/06/35/1066550635.db2.gz QEKDYGFMICMDLO-FQEVSTJZSA-N 0 0 483.588 4.969 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001456270579 1066551132 /nfs/dbraw/zinc/55/11/32/1066551132.db2.gz ZINLRWPTQULUEN-OALUTQOASA-N 0 0 457.832 4.567 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1nc(Br)ccc1Br)c1cccs1 ZINC001445273245 1066551176 /nfs/dbraw/zinc/55/11/76/1066551176.db2.gz MPLVTOVJCYKWEZ-JTQLQIEISA-N 0 0 458.175 4.546 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001456270598 1066551208 /nfs/dbraw/zinc/55/12/08/1066551208.db2.gz ZINLRWPTQULUEN-RBUKOAKNSA-N 0 0 457.832 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2F)o1 ZINC001361214853 1066551710 /nfs/dbraw/zinc/55/17/10/1066551710.db2.gz YSBZEPCJQUBUHM-RTBURBONSA-N 0 0 483.588 4.584 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cnc(-c3cccnc3)s2)c2ccccc21 ZINC001456271884 1066551772 /nfs/dbraw/zinc/55/17/72/1066551772.db2.gz ZCEDQLXHMKDJLD-KRWDZBQOSA-N 0 0 450.564 4.864 20 0 JJADRN CO[C@@H](C)c1nc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)cs1 ZINC001445277713 1066551953 /nfs/dbraw/zinc/55/19/53/1066551953.db2.gz WPDXIGFXZZLJTQ-LBPRGKRZSA-N 0 0 451.342 4.715 20 0 JJADRN COCCOCc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001456271831 1066551824 /nfs/dbraw/zinc/55/18/24/1066551824.db2.gz YTFMXGXELZTDDB-NRFANRHFSA-N 0 0 454.567 4.508 20 0 JJADRN O=C(CN(C(=O)c1cc2c(cncc2Br)s1)c1ccccc1)N1CCCCC1 ZINC001456273089 1066551911 /nfs/dbraw/zinc/55/19/11/1066551911.db2.gz WQCHWURQWHDVLC-UHFFFAOYSA-N 0 0 458.381 4.718 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC001361215383 1066552092 /nfs/dbraw/zinc/55/20/92/1066552092.db2.gz MSEZLACAMRBAMS-UHFFFAOYSA-N 0 0 457.518 4.894 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1cccs1 ZINC001445279313 1066552299 /nfs/dbraw/zinc/55/22/99/1066552299.db2.gz WTNRHUDUZHZDMH-GOSISDBHSA-N 0 0 458.381 4.633 20 0 JJADRN COC(=O)CCC1CCN(C(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)CC1 ZINC001445277784 1066552421 /nfs/dbraw/zinc/55/24/21/1066552421.db2.gz WXPFZOMMOBXSCD-UHFFFAOYSA-N 0 0 452.382 4.530 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361217161 1066552544 /nfs/dbraw/zinc/55/25/44/1066552544.db2.gz HIXFXWPWJUXLJI-KSFYIVLOSA-N 0 0 491.455 4.600 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361217163 1066553063 /nfs/dbraw/zinc/55/30/63/1066553063.db2.gz HIXFXWPWJUXLJI-ZHRRBRCNSA-N 0 0 491.455 4.600 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CC[C@@H](C(F)(F)F)C1 ZINC001456276954 1066553283 /nfs/dbraw/zinc/55/32/83/1066553283.db2.gz IJVXBQRUSFWXCI-OAHLLOKOSA-N 0 0 450.461 4.576 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)c2csc(S(N)(=O)=O)c2)[C@H]1C ZINC001445284067 1066553249 /nfs/dbraw/zinc/55/32/49/1066553249.db2.gz GQGFWXMUWGHWMY-FHSNZYRGSA-N 0 0 459.008 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[C@H]2CCCCO2)cc1Br ZINC001361217761 1066553352 /nfs/dbraw/zinc/55/33/52/1066553352.db2.gz MFAGMCPZYNBDJH-AZUAARDMSA-N 0 0 477.447 4.981 20 0 JJADRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C)C2=O ZINC001361217628 1066553425 /nfs/dbraw/zinc/55/34/25/1066553425.db2.gz IHWFWLONEPZWOQ-YOPMBXEFSA-N 0 0 453.627 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2Cc2sccc2C)o1 ZINC001361217890 1066553942 /nfs/dbraw/zinc/55/39/42/1066553942.db2.gz NGPTVDDKEJOQGA-UHFFFAOYSA-N 0 0 457.600 4.569 20 0 JJADRN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001361217873 1066553971 /nfs/dbraw/zinc/55/39/71/1066553971.db2.gz KMSCUGKFYMGRDR-UHFFFAOYSA-N 0 0 454.658 4.606 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)cc1OC ZINC001456278671 1066553981 /nfs/dbraw/zinc/55/39/81/1066553981.db2.gz XYNZLZYIZRAIIB-QGZVFWFLSA-N 0 0 453.505 4.524 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC001445288120 1066553891 /nfs/dbraw/zinc/55/38/91/1066553891.db2.gz MZWKILSWWYHNSV-ZACQAIPSSA-N 0 0 458.521 4.872 20 0 JJADRN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)n2)c1 ZINC001445289567 1066554596 /nfs/dbraw/zinc/55/45/96/1066554596.db2.gz XVUXFCVSTBKYNS-SFGWALBWSA-N 0 0 468.598 4.642 20 0 JJADRN O=C(c1ccn(-c2ccc(Br)cc2)n1)N(Cc1ccccc1)CC1CCOCC1 ZINC001456288133 1066555666 /nfs/dbraw/zinc/55/56/66/1066555666.db2.gz YIRBTZUFUAKJSE-UHFFFAOYSA-N 0 0 454.368 4.704 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001456286761 1066555872 /nfs/dbraw/zinc/55/58/72/1066555872.db2.gz WAMZSAUIGKQWRS-AWEZNQCLSA-N 0 0 459.718 4.642 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CC(F)(F)Br)o1 ZINC001361219042 1066555926 /nfs/dbraw/zinc/55/59/26/1066555926.db2.gz SPJAGGQCVYGVAX-OAHLLOKOSA-N 0 0 453.287 4.881 20 0 JJADRN CN(C(=O)CNC(=O)NCc1ccc(F)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445296273 1066556011 /nfs/dbraw/zinc/55/60/11/1066556011.db2.gz JEFRCMOUMVFBQS-QHCPKHFHSA-N 0 0 457.908 4.665 20 0 JJADRN Cc1nc(Br)sc1C(=O)N1CCOc2cc(Br)c(Cl)cc21 ZINC001361219349 1066556395 /nfs/dbraw/zinc/55/63/95/1066556395.db2.gz YPHQLNYQBSGUGO-UHFFFAOYSA-N 0 0 452.555 4.669 20 0 JJADRN COc1ccc2[nH]cc(CC(=O)NCc3ccc(Br)c(Br)c3)c2c1 ZINC001456291659 1066556783 /nfs/dbraw/zinc/55/67/83/1066556783.db2.gz RYYRTGAKZJBAEL-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)Cc4ccccc4C)CC3)n2CCCC(C)(C)C)o1 ZINC001361219836 1066556755 /nfs/dbraw/zinc/55/67/55/1066556755.db2.gz RUBXWSPBPWMPIE-UHFFFAOYSA-N 0 0 463.626 4.873 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361219838 1066556787 /nfs/dbraw/zinc/55/67/87/1066556787.db2.gz RXJACAPVKBONLH-HHHXNRCGSA-N 0 0 485.673 4.653 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC001456298278 1066557340 /nfs/dbraw/zinc/55/73/40/1066557340.db2.gz MAIFZIHKWJGUGA-UHFFFAOYSA-N 0 0 450.901 4.879 20 0 JJADRN COc1ccccc1[C@H]1[C@H](C(=O)OCc2nc(C)cs2)CCC(=O)N1c1ccc(C)cc1 ZINC001361220499 1066557593 /nfs/dbraw/zinc/55/75/93/1066557593.db2.gz SHZBXMXEJSYKOB-YKSBVNFPSA-N 0 0 450.560 4.996 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973846 1066557753 /nfs/dbraw/zinc/55/77/53/1066557753.db2.gz JRZHWCOMWPWZQT-FPOVZHCZSA-N 0 0 458.331 4.502 20 0 JJADRN Cc1cc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)ccc1NC(=O)c1cccs1 ZINC001445332003 1066557771 /nfs/dbraw/zinc/55/77/71/1066557771.db2.gz GMTBJKJGCRLUEH-UHFFFAOYSA-N 0 0 453.530 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)N3CCC(OCC4CCCC4)CC3)cccc2C1 ZINC001445332884 1066558186 /nfs/dbraw/zinc/55/81/86/1066558186.db2.gz HNDBJWNXDPLILS-UHFFFAOYSA-N 0 0 456.627 4.720 20 0 JJADRN C[C@@H](c1ccc(C(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1)C(F)(F)F ZINC001445335398 1066558379 /nfs/dbraw/zinc/55/83/79/1066558379.db2.gz XKYMFDZBLLPARC-INIZCTEOSA-N 0 0 458.521 4.888 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCc2csc(C(C)C)n2)o1 ZINC001361220769 1066558520 /nfs/dbraw/zinc/55/85/20/1066558520.db2.gz CZGBMYPMFBXSQL-MRXNPFEDSA-N 0 0 482.576 4.742 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341098 1066559586 /nfs/dbraw/zinc/55/95/86/1066559586.db2.gz YLOBIMPDUPZPBN-DNVCBOLYSA-N 0 0 451.792 4.651 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(Br)c1 ZINC001545973992 1066559937 /nfs/dbraw/zinc/55/99/37/1066559937.db2.gz MSBRBCSWXXXXMQ-AZUAARDMSA-N 0 0 450.348 4.780 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCOc2ccc(Cl)cc2)o1 ZINC001361221289 1066560032 /nfs/dbraw/zinc/56/00/32/1066560032.db2.gz UERUVUUXLSNWKW-INIZCTEOSA-N 0 0 483.922 4.652 20 0 JJADRN Cc1nc(CCC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)oc1-c1ccccc1 ZINC001445341967 1066560117 /nfs/dbraw/zinc/56/01/17/1066560117.db2.gz AVWOUEFMHZUEMD-OAQYLSRUSA-N 0 0 452.860 4.802 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCC(c2c[nH]cn2)CC1 ZINC001445343770 1066560209 /nfs/dbraw/zinc/56/02/09/1066560209.db2.gz BWJSKGOGDKHJDX-UHFFFAOYSA-N 0 0 453.134 4.701 20 0 JJADRN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001361221656 1066560594 /nfs/dbraw/zinc/56/05/94/1066560594.db2.gz FOZKYXRUZGSBAN-ICSRJNTNSA-N 0 0 459.512 4.619 20 0 JJADRN COc1ccc(CC(=O)Nc2nc3ccccc3n2CCc2ccccn2)c(Cl)c1OC ZINC001361222199 1066560608 /nfs/dbraw/zinc/56/06/08/1066560608.db2.gz VSWDHEKWKWBKEB-UHFFFAOYSA-N 0 0 450.926 4.526 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001456311306 1066560562 /nfs/dbraw/zinc/56/05/62/1066560562.db2.gz YTEKPSPUNJECDH-UHFFFAOYSA-N 0 0 450.966 4.693 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001456309274 1066560721 /nfs/dbraw/zinc/56/07/21/1066560721.db2.gz CPFKOSAXMMVQLT-UHFFFAOYSA-N 0 0 452.555 4.523 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(Br)cc1F ZINC001361223213 1066560967 /nfs/dbraw/zinc/56/09/67/1066560967.db2.gz GYXRBIXWCMYCRH-UHFFFAOYSA-N 0 0 459.153 4.821 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4cccc(F)c4F)CC3)n2CCCOCC(C)C)o1 ZINC001361222419 1066561002 /nfs/dbraw/zinc/56/10/02/1066561002.db2.gz CGZUJSKWFZRUKY-UHFFFAOYSA-N 0 0 459.541 4.514 20 0 JJADRN Cc1cc(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC001445350264 1066561156 /nfs/dbraw/zinc/56/11/56/1066561156.db2.gz PMJRXFQLHCYKOD-IBGZPJMESA-N 0 0 458.267 4.667 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361222624 1066561076 /nfs/dbraw/zinc/56/10/76/1066561076.db2.gz KBXJPMAJIIKTPF-FQEVSTJZSA-N 0 0 494.640 4.676 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCc3ccc(Cl)cc3)CC2)cc1 ZINC001456314597 1066561240 /nfs/dbraw/zinc/56/12/40/1066561240.db2.gz AAUYDKFDQGUORH-HXUWFJFHSA-N 0 0 457.014 4.754 20 0 JJADRN O=C(COc1ccc(I)cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001361223699 1066561396 /nfs/dbraw/zinc/56/13/96/1066561396.db2.gz VRQSDGMDCSDNIX-UHFFFAOYSA-N 0 0 455.267 4.769 20 0 JJADRN O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1csc(Cc2ccccc2F)n1 ZINC001445357744 1066561598 /nfs/dbraw/zinc/56/15/98/1066561598.db2.gz ZOFLXXHWPVTLJC-LJQANCHMSA-N 0 0 458.864 4.706 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC001445358727 1066562181 /nfs/dbraw/zinc/56/21/81/1066562181.db2.gz NOWXIYQVQJSRAI-ZIAGYGMSSA-N 0 0 454.445 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2CCCCC2(F)F)o1 ZINC001361224189 1066562391 /nfs/dbraw/zinc/56/23/91/1066562391.db2.gz LOBHFRMEHADFBD-OAHLLOKOSA-N 0 0 479.469 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361224118 1066562459 /nfs/dbraw/zinc/56/24/59/1066562459.db2.gz JSCLSJYAWHOVRV-KSZLIROESA-N 0 0 467.536 4.833 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2cccc(OCC(C)C)c2)o1 ZINC001361224420 1066562942 /nfs/dbraw/zinc/56/29/42/1066562942.db2.gz UBPLFYCUGWCHIC-UHFFFAOYSA-N 0 0 477.531 4.614 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1 ZINC001445370528 1066563255 /nfs/dbraw/zinc/56/32/55/1066563255.db2.gz WWJFUEIVRRPYEN-QFIPXVFZSA-N 0 0 455.555 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2Cc2ccc(F)c(Cl)c2)o1 ZINC001361224549 1066563350 /nfs/dbraw/zinc/56/33/50/1066563350.db2.gz XQPLVYDOZFSOKR-CYBMUJFWSA-N 0 0 471.886 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C2(CCCCC2)C1 ZINC001456331026 1066563999 /nfs/dbraw/zinc/56/39/99/1066563999.db2.gz ADXWBKRWXAFVSZ-UHFFFAOYSA-N 0 0 458.990 4.922 20 0 JJADRN COC1CCC(N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001456331247 1066564021 /nfs/dbraw/zinc/56/40/21/1066564021.db2.gz AZISZQXXYJEOKP-UHFFFAOYSA-N 0 0 458.484 4.983 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)C1)CC(F)(F)F ZINC001445374251 1066564554 /nfs/dbraw/zinc/56/45/54/1066564554.db2.gz VILUXFNWLAISGC-CQSZACIVSA-N 0 0 451.327 4.583 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccc(F)cc1 ZINC001456335731 1066564935 /nfs/dbraw/zinc/56/49/35/1066564935.db2.gz HBYHUEGDTDKKBX-FQEVSTJZSA-N 0 0 452.486 4.655 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)NC(=O)OC(C)(C)C ZINC001456338243 1066565344 /nfs/dbraw/zinc/56/53/44/1066565344.db2.gz KLVJRAMVGDZPMB-QZTJIDSGSA-N 0 0 457.537 4.730 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@]2(O)CCCC2(C)C)cc1Br ZINC001361226965 1066565490 /nfs/dbraw/zinc/56/54/90/1066565490.db2.gz CXZMFIJMNHIZFK-QHCPKHFHSA-N 0 0 477.447 4.572 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001361227347 1066565925 /nfs/dbraw/zinc/56/59/25/1066565925.db2.gz KZFDTBFEQNCUKB-NRFANRHFSA-N 0 0 487.446 4.542 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001361227464 1066565946 /nfs/dbraw/zinc/56/59/46/1066565946.db2.gz NQDDFRFGOOTQRF-MRXNPFEDSA-N 0 0 465.436 4.835 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001456342359 1066565941 /nfs/dbraw/zinc/56/59/41/1066565941.db2.gz SFQWZTIVWCDBEV-KAGYGMCKSA-N 0 0 468.466 4.742 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC(F)(F)F)cc1Br ZINC001361227401 1066566057 /nfs/dbraw/zinc/56/60/57/1066566057.db2.gz MFXIGRIJPQHJPT-HNNXBMFYSA-N 0 0 461.326 4.830 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)s1 ZINC001445390525 1066566194 /nfs/dbraw/zinc/56/61/94/1066566194.db2.gz JUSARCIRZCCXTC-SFHVURJKSA-N 0 0 457.621 4.977 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001456344990 1066566320 /nfs/dbraw/zinc/56/63/20/1066566320.db2.gz SXNSNEYOYYYWEZ-UHFFFAOYSA-N 0 0 452.854 4.560 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001445396227 1066566560 /nfs/dbraw/zinc/56/65/60/1066566560.db2.gz VSUXMVGUUKXYOY-UHFFFAOYSA-N 0 0 451.882 4.509 20 0 JJADRN COCc1nc2cc(NC(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)ccc2o1 ZINC001445398420 1066566603 /nfs/dbraw/zinc/56/66/03/1066566603.db2.gz VFOKUIHVRMYPCM-UHFFFAOYSA-N 0 0 450.516 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361227659 1066566579 /nfs/dbraw/zinc/56/65/79/1066566579.db2.gz SCRXADIVPHABGH-CUWPLCDZSA-N 0 0 487.645 4.743 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC001456346636 1066566761 /nfs/dbraw/zinc/56/67/61/1066566761.db2.gz ZMNVEMVDZJNRCN-NSHGMRRFSA-N 0 0 456.926 4.552 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Br)c(F)c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001456348576 1066566883 /nfs/dbraw/zinc/56/68/83/1066566883.db2.gz ASBZSUOXRZHUBN-UHFFFAOYSA-N 0 0 450.333 4.647 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)o1 ZINC001361228059 1066566937 /nfs/dbraw/zinc/56/69/37/1066566937.db2.gz CRQZXYXYMSBNFU-UHFFFAOYSA-N 0 0 450.919 4.966 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@]2(C)CCCO2)cc1Br ZINC001361227871 1066567051 /nfs/dbraw/zinc/56/70/51/1066567051.db2.gz XJZNMDSXVNLIKD-XXBNENTESA-N 0 0 477.447 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361227990 1066567157 /nfs/dbraw/zinc/56/71/57/1066567157.db2.gz ZZIHKVYNNFANHY-UYAOXDASSA-N 0 0 475.431 4.612 20 0 JJADRN CC[C@@H](CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001445399711 1066567143 /nfs/dbraw/zinc/56/71/43/1066567143.db2.gz ZDMKRZNOLXPBRV-AWEZNQCLSA-N 0 0 454.436 4.529 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)/C(C)=C\c3ccc(OC(F)(F)F)cc3)sc21 ZINC001456351400 1066567249 /nfs/dbraw/zinc/56/72/49/1066567249.db2.gz GBDJLHMNRWKHOO-NTMALXAHSA-N 0 0 451.426 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4F)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361228756 1066567672 /nfs/dbraw/zinc/56/76/72/1066567672.db2.gz DPPXEMDYPMEFTP-JTSKRJEESA-N 0 0 499.587 4.819 20 0 JJADRN CCCCCCn1nc(C(=O)Nc2cc(F)c(F)cc2C(=O)OCC)c2ccccc2c1=O ZINC001456353435 1066567749 /nfs/dbraw/zinc/56/77/49/1066567749.db2.gz SBZCTBGWEJVVNG-UHFFFAOYSA-N 0 0 457.477 4.684 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)CC2=O)ccc1Br ZINC001456353476 1066568308 /nfs/dbraw/zinc/56/83/08/1066568308.db2.gz SQCWCLHFRRGFAF-ZJSJBZJDSA-N 0 0 455.396 4.904 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545974822 1066568753 /nfs/dbraw/zinc/56/87/53/1066568753.db2.gz FYVLZEOSAKBBKO-VXKWHMMOSA-N 0 0 494.640 4.762 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2COCC[Si](C)(C)C)cc1 ZINC001456357128 1066568819 /nfs/dbraw/zinc/56/88/19/1066568819.db2.gz GOZNGZUCRYAOJC-FQEVSTJZSA-N 0 0 457.647 4.595 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Br)c(F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001456356152 1066569004 /nfs/dbraw/zinc/56/90/04/1066569004.db2.gz ZJOSRGNNABVPLB-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4nc(C(C)(C)C)cs4)C3)n2CCOC(C)C)o1 ZINC001361229569 1066569191 /nfs/dbraw/zinc/56/91/91/1066569191.db2.gz TXRCEVDAJAKFLA-SFHVURJKSA-N 0 0 459.616 4.603 20 0 JJADRN CCCCO[C@@H]1C[C@H](N(C)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1(C)C ZINC001445419472 1066569415 /nfs/dbraw/zinc/56/94/15/1066569415.db2.gz UXQQZYOJCYRAAQ-ZWKOTPCHSA-N 0 0 450.649 4.747 20 0 JJADRN Cn1cc(-c2cncc(C(=O)NCc3ccc(Oc4ccccc4C(F)(F)F)nc3)c2)cn1 ZINC001456359143 1066569959 /nfs/dbraw/zinc/56/99/59/1066569959.db2.gz LBRJUXKTVCPDBM-UHFFFAOYSA-N 0 0 453.424 4.618 20 0 JJADRN CC(C)Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2COCC[Si](C)(C)C)cc(=O)[nH]1 ZINC001456359525 1066569973 /nfs/dbraw/zinc/56/99/73/1066569973.db2.gz LXOQPQKWTWQFPY-OAQYLSRUSA-N 0 0 458.679 4.718 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3nnn(-c4ccc(F)c(Cl)c4)c3C)cc2)c1 ZINC001456359140 1066569996 /nfs/dbraw/zinc/56/99/96/1066569996.db2.gz KZVOIAITOWSXIT-UHFFFAOYSA-N 0 0 450.901 4.974 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001445426828 1066570057 /nfs/dbraw/zinc/57/00/57/1066570057.db2.gz AVSOAQSWXDJBNF-FQEVSTJZSA-N 0 0 452.357 4.541 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001445426835 1066570086 /nfs/dbraw/zinc/57/00/86/1066570086.db2.gz AVSOAQSWXDJBNF-HXUWFJFHSA-N 0 0 452.357 4.541 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSCC3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)o1 ZINC001361230780 1066570090 /nfs/dbraw/zinc/57/00/90/1066570090.db2.gz BTKGMSFALBGRBE-UHFFFAOYSA-N 0 0 469.611 4.989 20 0 JJADRN Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2COCC[Si](C)(C)C)cc(NC2CC2)n1 ZINC001456360635 1066570408 /nfs/dbraw/zinc/57/04/08/1066570408.db2.gz PFBOXNMAXBVAKK-OAQYLSRUSA-N 0 0 455.679 4.696 20 0 JJADRN O=C(c1c(Cl)ccc(I)c1F)N1CCSC2(CCCCC2)C1 ZINC001445429579 1066570443 /nfs/dbraw/zinc/57/04/43/1066570443.db2.gz ALPLJTCGMGHBJR-UHFFFAOYSA-N 0 0 453.748 4.976 20 0 JJADRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445429451 1066570457 /nfs/dbraw/zinc/57/04/57/1066570457.db2.gz JYWDUKSVEJPQLT-VQTJNVASSA-N 0 0 450.601 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC001445429383 1066570520 /nfs/dbraw/zinc/57/05/20/1066570520.db2.gz JSRDMTOYYSRYHD-OAQYLSRUSA-N 0 0 459.587 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSCC3)n2Cc2ccnc(OC(F)F)c2)cc1Br ZINC001361231110 1066570402 /nfs/dbraw/zinc/57/04/02/1066570402.db2.gz LMLHBWRFIQFMHT-UHFFFAOYSA-N 0 0 496.381 4.614 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSCC1 ZINC001361230885 1066570589 /nfs/dbraw/zinc/57/05/89/1066570589.db2.gz FKMUYCMDFULRSB-UHFFFAOYSA-N 0 0 464.458 4.577 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(-c4cccc(OC)c4)cc3)c(C)c12 ZINC001456361464 1066570715 /nfs/dbraw/zinc/57/07/15/1066570715.db2.gz PHBRBFDDNZZQNN-UHFFFAOYSA-N 0 0 458.562 4.518 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@]2(O)CCC[C@H]2C)cc1Br ZINC001361231202 1066571052 /nfs/dbraw/zinc/57/10/52/1066571052.db2.gz NUKIYPWOFSZGLB-VWKPWSFCSA-N 0 0 465.461 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361231124 1066571105 /nfs/dbraw/zinc/57/11/05/1066571105.db2.gz LSQUNDJPEOYGTR-QUCCMNQESA-N 0 0 477.472 4.939 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC001456362299 1066571262 /nfs/dbraw/zinc/57/12/62/1066571262.db2.gz BVQPNVZUELSMKO-QHCPKHFHSA-N 0 0 454.542 4.859 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1)N(C)C(=O)OC(C)(C)C ZINC001445437996 1066571340 /nfs/dbraw/zinc/57/13/40/1066571340.db2.gz GARWURAFQZELBW-PBHICJAKSA-N 0 0 450.967 4.849 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCc2ccsc2)cc1Br ZINC001361231519 1066571365 /nfs/dbraw/zinc/57/13/65/1066571365.db2.gz CHFFOLDWQXHCIV-BEFAXECRSA-N 0 0 461.429 4.527 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C)cc1Br ZINC001361231407 1066571392 /nfs/dbraw/zinc/57/13/92/1066571392.db2.gz ATXDICOOTGVSMP-UWWQBHOKSA-N 0 0 476.419 4.700 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438999 1066571421 /nfs/dbraw/zinc/57/14/21/1066571421.db2.gz ITVKTXOMJDPEOP-LBPRGKRZSA-N 0 0 458.902 4.934 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)C1(F)F ZINC001445439902 1066571477 /nfs/dbraw/zinc/57/14/77/1066571477.db2.gz WOKKZWDUMKZYRK-UKRRQHHQSA-N 0 0 451.341 4.837 20 0 JJADRN C[C@@H](NC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445441065 1066571919 /nfs/dbraw/zinc/57/19/19/1066571919.db2.gz NIIGBMQKKJANBT-MRVPVSSYSA-N 0 0 452.776 4.747 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 ZINC001456364568 1066572168 /nfs/dbraw/zinc/57/21/68/1066572168.db2.gz GGHRFUPATBHQAU-UHFFFAOYSA-N 0 0 450.966 4.522 20 0 JJADRN CCCc1c(C(=O)OCc2ccc(OC)cc2OC(F)F)nnn1-c1cccc(Cl)c1 ZINC001456365799 1066572176 /nfs/dbraw/zinc/57/21/76/1066572176.db2.gz JCMBLAIZYGSWJE-UHFFFAOYSA-N 0 0 451.857 4.840 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N(C)c3ccc4ccccc4n3)n2)cc(Cl)c1OC ZINC001456367695 1066572184 /nfs/dbraw/zinc/57/21/84/1066572184.db2.gz QWDFRZLULQHZPK-UHFFFAOYSA-N 0 0 452.898 4.551 20 0 JJADRN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001456369458 1066572507 /nfs/dbraw/zinc/57/25/07/1066572507.db2.gz DUUCDNGRRBGBFT-KRWDZBQOSA-N 0 0 457.571 4.885 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)[C@@H](CC)CN1C(C)=O ZINC001361232253 1066572709 /nfs/dbraw/zinc/57/27/09/1066572709.db2.gz SFKHTTQWKYSIIG-MSOLQXFVSA-N 0 0 459.015 4.910 20 0 JJADRN COc1ccc(C[C@@H]2CCN2C(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc1 ZINC001445454198 1066573220 /nfs/dbraw/zinc/57/32/20/1066573220.db2.gz GUQBLACCPVFCAS-MBSDFSHPSA-N 0 0 454.542 4.653 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3[nH]c(CNC(=O)OC(C)(C)C)nc3c2)ccc1Br ZINC001456376660 1066573637 /nfs/dbraw/zinc/57/36/37/1066573637.db2.gz SLKYXIAHSVDVMI-UHFFFAOYSA-N 0 0 459.344 4.911 20 0 JJADRN Cc1nc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)cc2)cs1 ZINC001456379651 1066573896 /nfs/dbraw/zinc/57/38/96/1066573896.db2.gz DLJLPWPIOWKNST-LJQANCHMSA-N 0 0 457.502 4.645 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2)o1 ZINC001361233280 1066573834 /nfs/dbraw/zinc/57/38/34/1066573834.db2.gz DFJDTCRRODILKK-FQEVSTJZSA-N 0 0 453.612 4.593 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445463945 1066574158 /nfs/dbraw/zinc/57/41/58/1066574158.db2.gz QKIIBOVXLWRBBI-QGZVFWFLSA-N 0 0 451.325 4.766 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](CC(C)C)c2ccccc2OC)cc1 ZINC001445464982 1066574163 /nfs/dbraw/zinc/57/41/63/1066574163.db2.gz TYHXNMKMDAWBIJ-HXUWFJFHSA-N 0 0 454.596 4.545 20 0 JJADRN CC(C)[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC001456384330 1066574264 /nfs/dbraw/zinc/57/42/64/1066574264.db2.gz BKSFPOHRIXQYMI-JOCHJYFZSA-N 0 0 450.608 4.976 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)cc1 ZINC001361233614 1066574217 /nfs/dbraw/zinc/57/42/17/1066574217.db2.gz HGFMGEVCRKQONT-SFHVURJKSA-N 0 0 474.487 4.502 20 0 JJADRN Cc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361233337 1066574426 /nfs/dbraw/zinc/57/44/26/1066574426.db2.gz FJTSKPYIIJWRIP-MUJYYYPQSA-N 0 0 459.392 4.697 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CC(Cc4ccc(C(F)(F)F)cc4)C3)n2)cc1 ZINC001445465808 1066574476 /nfs/dbraw/zinc/57/44/76/1066574476.db2.gz PWPZWNMWTOZBJK-UHFFFAOYSA-N 0 0 459.468 4.788 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001445469510 1066574562 /nfs/dbraw/zinc/57/45/62/1066574562.db2.gz SXAYTOUGYYRBKI-PXNSSMCTSA-N 0 0 451.007 4.683 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001445469503 1066574658 /nfs/dbraw/zinc/57/46/58/1066574658.db2.gz SXAYTOUGYYRBKI-FXAWDEMLSA-N 0 0 451.007 4.683 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(F)ccc2I)c1 ZINC001456388775 1066574805 /nfs/dbraw/zinc/57/48/05/1066574805.db2.gz CNPNCKZFWVBOIS-DEOSSOPVSA-N 0 0 459.324 4.730 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1occc1COc1ccccc1)c1ccccc1 ZINC001456386898 1066574945 /nfs/dbraw/zinc/57/49/45/1066574945.db2.gz IPLGODBUWJOPIB-VWLOTQADSA-N 0 0 454.526 4.863 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCCNc1ccc(-c2ccccc2)nn1 ZINC001445471629 1066574994 /nfs/dbraw/zinc/57/49/94/1066574994.db2.gz AVFQFJGZWAOEDU-UHFFFAOYSA-N 0 0 451.741 4.711 20 0 JJADRN O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001456384896 1066575023 /nfs/dbraw/zinc/57/50/23/1066575023.db2.gz UAMQGLZMPLPHIM-AREMUKBSSA-N 0 0 450.529 4.867 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOC(C)C)o1 ZINC001361235267 1066575419 /nfs/dbraw/zinc/57/54/19/1066575419.db2.gz TWXUTDCVPOOLNG-NRFANRHFSA-N 0 0 451.571 4.815 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)cc1 ZINC001361234978 1066575430 /nfs/dbraw/zinc/57/54/30/1066575430.db2.gz RLWDPZSSKFDMIH-HXUWFJFHSA-N 0 0 485.430 4.554 20 0 JJADRN Cc1c(C(=O)NCc2csc(CCc3ccccc3)n2)nnn1-c1ccc(F)c(Cl)c1 ZINC001445483324 1066575922 /nfs/dbraw/zinc/57/59/22/1066575922.db2.gz ACBCBAZSMNRSEB-UHFFFAOYSA-N 0 0 455.946 4.540 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC1CC1)NC(=O)OC(C)(C)C ZINC001545975614 1066575959 /nfs/dbraw/zinc/57/59/59/1066575959.db2.gz VTAGVFLAYQLPGP-IBGZPJMESA-N 0 0 466.630 4.976 20 0 JJADRN O=C(NCCNc1ccc(-c2ccccc2)nn1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001445481710 1066575995 /nfs/dbraw/zinc/57/59/95/1066575995.db2.gz YUANJHKCKWFOGJ-UHFFFAOYSA-N 0 0 456.468 4.593 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC1CC1)NC(=O)OC(C)(C)C ZINC001545975615 1066576280 /nfs/dbraw/zinc/57/62/80/1066576280.db2.gz VTAGVFLAYQLPGP-LJQANCHMSA-N 0 0 466.630 4.976 20 0 JJADRN CC[C@]1(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445486288 1066576342 /nfs/dbraw/zinc/57/63/42/1066576342.db2.gz YWAWSUVWIVKIFQ-QFIPXVFZSA-N 0 0 456.505 4.623 20 0 JJADRN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445484473 1066576462 /nfs/dbraw/zinc/57/64/62/1066576462.db2.gz LZHDAFUVAHCNKB-UHFFFAOYSA-N 0 0 458.436 4.770 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@H]1c1ccccc1 ZINC001456392693 1066576489 /nfs/dbraw/zinc/57/64/89/1066576489.db2.gz DXXAZDGHENTMNL-LUQKVYGDSA-N 0 0 459.409 4.507 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H]1c1ccccc1 ZINC001456392705 1066576504 /nfs/dbraw/zinc/57/65/04/1066576504.db2.gz DXXAZDGHENTMNL-XPIZARPCSA-N 0 0 459.409 4.507 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H]1c1ccccc1 ZINC001456392687 1066576539 /nfs/dbraw/zinc/57/65/39/1066576539.db2.gz DXXAZDGHENTMNL-HZUJVAHNSA-N 0 0 459.409 4.507 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H]1c1ccccc1 ZINC001456392700 1066576623 /nfs/dbraw/zinc/57/66/23/1066576623.db2.gz DXXAZDGHENTMNL-WJPUGNRLSA-N 0 0 459.409 4.507 20 0 JJADRN O=C(c1cc(Br)cc2nc[nH]c21)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445486125 1066576491 /nfs/dbraw/zinc/57/64/91/1066576491.db2.gz WRQDFTYDCRLGFG-UHFFFAOYSA-N 0 0 454.246 4.539 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001361236409 1066576785 /nfs/dbraw/zinc/57/67/85/1066576785.db2.gz ILJWYRBMWWMJQR-VXKWHMMOSA-N 0 0 469.630 4.689 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)o1 ZINC001361236033 1066576807 /nfs/dbraw/zinc/57/68/07/1066576807.db2.gz CNGNWNJYAPCPHJ-IBGZPJMESA-N 0 0 486.414 4.819 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)NCc1nccn1CCCc1ccccc1 ZINC001445486950 1066576912 /nfs/dbraw/zinc/57/69/12/1066576912.db2.gz BNNLLZFLAFCXCL-UHFFFAOYSA-N 0 0 451.368 4.619 20 0 JJADRN CC(C)(CNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC001456394179 1066577139 /nfs/dbraw/zinc/57/71/39/1066577139.db2.gz LDXUFBAQQFPORL-QHCPKHFHSA-N 0 0 450.913 4.624 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361236879 1066577127 /nfs/dbraw/zinc/57/71/27/1066577127.db2.gz LFUBRMIMXYTHPP-RPWUZVMVSA-N 0 0 483.657 4.804 20 0 JJADRN COC(=O)C1([C@]2(O)CCCN(C(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)C2)CCC1 ZINC001456395066 1066577527 /nfs/dbraw/zinc/57/75/27/1066577527.db2.gz KCSHPPMECBESNC-WWOHXHCDSA-N 0 0 459.995 4.779 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001456394688 1066577592 /nfs/dbraw/zinc/57/75/92/1066577592.db2.gz UJRJBUCWTCJCQL-UHFFFAOYSA-N 0 0 456.951 4.750 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001445498969 1066578354 /nfs/dbraw/zinc/57/83/54/1066578354.db2.gz VZCJLCYLZXOABD-GHTZIAJQSA-N 0 0 458.624 4.843 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Oc1cccc(Cl)c1 ZINC001445503192 1066578400 /nfs/dbraw/zinc/57/84/00/1066578400.db2.gz YYXOQJDEEKNBKY-ISKFKSNPSA-N 0 0 450.966 4.655 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(Cl)ccc1I ZINC001456398634 1066578578 /nfs/dbraw/zinc/57/85/78/1066578578.db2.gz VNKNDNBFGDLGTJ-GOSISDBHSA-N 0 0 455.723 4.842 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC001545975842 1066578800 /nfs/dbraw/zinc/57/88/00/1066578800.db2.gz ZVGBOTNJNOFJJR-INIZCTEOSA-N 0 0 474.556 4.881 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361238378 1066579145 /nfs/dbraw/zinc/57/91/45/1066579145.db2.gz WASSUXCLDFXKIV-SGNDLWITSA-N 0 0 483.657 4.899 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC001445512979 1066579123 /nfs/dbraw/zinc/57/91/23/1066579123.db2.gz JMFLAJUFVFCDPM-QHCPKHFHSA-N 0 0 456.558 4.881 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccc(C)cc3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001361238372 1066579336 /nfs/dbraw/zinc/57/93/36/1066579336.db2.gz VZTVIFLGIFHCPM-QHCPKHFHSA-N 0 0 493.656 4.657 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3COCC[C@H]3c3ccccc3)c2)c1 ZINC001456404171 1066579414 /nfs/dbraw/zinc/57/94/14/1066579414.db2.gz WMIOEZMIBSNIBF-DEOSSOPVSA-N 0 0 450.560 4.666 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)C)cc1 ZINC001361239013 1066580717 /nfs/dbraw/zinc/58/07/17/1066580717.db2.gz ZSZWWFTXLPPWDT-MRXNPFEDSA-N 0 0 474.428 4.507 20 0 JJADRN O=C(c1cncc(C(F)(F)F)c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001456413663 1066580914 /nfs/dbraw/zinc/58/09/14/1066580914.db2.gz PDIXQUYABAQMKR-UHFFFAOYSA-N 0 0 459.443 4.781 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(=Cc3cc(Cl)ccc3Cl)CC1)C2=O ZINC001445523775 1066581304 /nfs/dbraw/zinc/58/13/04/1066581304.db2.gz GOGOUDFOAUTUGX-HNNXBMFYSA-N 0 0 457.357 4.992 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3ccc(C)cc3C)CC2)c(C)o1 ZINC001361239684 1066581772 /nfs/dbraw/zinc/58/17/72/1066581772.db2.gz JJCBENHOTGCPPP-UHFFFAOYSA-N 0 0 463.626 4.870 20 0 JJADRN COCCn1cc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c2ccccc21 ZINC001445524572 1066582023 /nfs/dbraw/zinc/58/20/23/1066582023.db2.gz FJPJQFYOZHDSQR-SFHVURJKSA-N 0 0 451.567 4.803 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC001445524617 1066582186 /nfs/dbraw/zinc/58/21/86/1066582186.db2.gz GWSGHKZFKOFUGI-MBSDFSHPSA-N 0 0 455.574 4.692 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c([C@H]3CCC(=O)N3)nnc2N(CC(C)C)C(C)C)cc1 ZINC001361240114 1066582177 /nfs/dbraw/zinc/58/21/77/1066582177.db2.gz NHMSTMNGDKHUEO-ZDXQCDESSA-N 0 0 453.631 4.576 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)cc1 ZINC001361240583 1066582215 /nfs/dbraw/zinc/58/22/15/1066582215.db2.gz UQCHTEBDXURKMP-DHIUTWEWSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1C ZINC001545976263 1066582666 /nfs/dbraw/zinc/58/26/66/1066582666.db2.gz JGOZCLOUFQXKSJ-NRFANRHFSA-N 0 0 451.567 4.984 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)N(CC(C)C)C[C@@H](O)c3ccc(F)cc3)c3c2CCC3)c1 ZINC001445526747 1066582697 /nfs/dbraw/zinc/58/26/97/1066582697.db2.gz BNBYXAWYBVJHBJ-XMMPIXPASA-N 0 0 453.533 4.779 20 0 JJADRN CCn1cc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(-c2ccccc2)n1 ZINC001456428999 1066582866 /nfs/dbraw/zinc/58/28/66/1066582866.db2.gz FPEJTGAKMSOWTH-UHFFFAOYSA-N 0 0 459.571 4.937 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC001361242114 1066584032 /nfs/dbraw/zinc/58/40/32/1066584032.db2.gz BHEDVKMKBXXKNS-UHFFFAOYSA-N 0 0 451.548 4.662 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1COc1cccc(C=O)c1 ZINC001445533311 1066584301 /nfs/dbraw/zinc/58/43/01/1066584301.db2.gz UHPGLSNHJSYDMD-RUZDIDTESA-N 0 0 459.542 4.761 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@H]2C)c(C)c1 ZINC001361243236 1066584729 /nfs/dbraw/zinc/58/47/29/1066584729.db2.gz KQUVLLXEJYPDRS-LSWJPFSZSA-N 0 0 483.657 4.681 20 0 JJADRN Cc1cc(=O)c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001456435757 1066584753 /nfs/dbraw/zinc/58/47/53/1066584753.db2.gz ZIZBSCXFNGVEBA-UHFFFAOYSA-N 0 0 459.443 4.751 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445538743 1066584955 /nfs/dbraw/zinc/58/49/55/1066584955.db2.gz RDCXZNKSMSGHKT-CYBMUJFWSA-N 0 0 457.756 4.734 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cs1 ZINC001445540155 1066585226 /nfs/dbraw/zinc/58/52/26/1066585226.db2.gz JTCZCUOAWGONOC-NRFANRHFSA-N 0 0 451.617 4.917 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2=O)cc1F ZINC001456436305 1066585283 /nfs/dbraw/zinc/58/52/83/1066585283.db2.gz RMXBVRJJLQQTNY-PSTIOWGYSA-N 0 0 456.583 4.707 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)C1CCN(CC(F)(F)F)CC1 ZINC001456436890 1066585434 /nfs/dbraw/zinc/58/54/34/1066585434.db2.gz ANIOYTVCDHLVTD-UHFFFAOYSA-N 0 0 454.337 4.847 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001456436385 1066585444 /nfs/dbraw/zinc/58/54/44/1066585444.db2.gz UKHCMCHIQZBZJP-YTTGMZPUSA-N 0 0 452.551 4.810 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243887 1066585539 /nfs/dbraw/zinc/58/55/39/1066585539.db2.gz WXORKKGFAXEEAT-PKTZIBPZSA-N 0 0 483.657 4.812 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001361243602 1066585608 /nfs/dbraw/zinc/58/56/08/1066585608.db2.gz PFLWAFNNOWYRLR-SFTDATJTSA-N 0 0 483.657 4.557 20 0 JJADRN Cc1ccc(CCn2c(CC(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001361243865 1066585678 /nfs/dbraw/zinc/58/56/78/1066585678.db2.gz WIADGAWOMVNKDJ-UHFFFAOYSA-N 0 0 461.658 4.576 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)C2)cc1 ZINC001361243763 1066585718 /nfs/dbraw/zinc/58/57/18/1066585718.db2.gz UDQRGOMQDLOQMF-IFMALSPDSA-N 0 0 453.631 4.790 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001445542165 1066585829 /nfs/dbraw/zinc/58/58/29/1066585829.db2.gz WIBVJAPBFCPPDK-HWHXTQLESA-N 0 0 454.586 4.910 20 0 JJADRN Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)n1 ZINC001445542054 1066585883 /nfs/dbraw/zinc/58/58/83/1066585883.db2.gz ZUJPCDVBFYCXRB-QFIPXVFZSA-N 0 0 455.967 4.822 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2cc(C)n(-c3ccccc3Br)n2)c1 ZINC001546082492 1066585902 /nfs/dbraw/zinc/58/59/02/1066585902.db2.gz VAVMPKYBKAEAER-UHFFFAOYSA-N 0 0 456.340 4.691 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243947 1066586020 /nfs/dbraw/zinc/58/60/20/1066586020.db2.gz YOYZQZXSUZVGIL-VXKWHMMOSA-N 0 0 469.630 4.516 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243948 1066586072 /nfs/dbraw/zinc/58/60/72/1066586072.db2.gz YOYZQZXSUZVGIL-YADHBBJMSA-N 0 0 469.630 4.516 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)NCc3nc(C)c(-c4ccc(Cl)cc4)o3)cc21 ZINC001445543608 1066586187 /nfs/dbraw/zinc/58/61/87/1066586187.db2.gz LSTOZXQRTIRUNP-UHFFFAOYSA-N 0 0 455.898 4.741 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2Cl)c(OC)c1 ZINC001361244829 1066586501 /nfs/dbraw/zinc/58/65/01/1066586501.db2.gz WGJJKLNEFBDHHW-RUZDIDTESA-N 0 0 455.938 4.823 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2C)no1 ZINC001361245267 1066586943 /nfs/dbraw/zinc/58/69/43/1066586943.db2.gz IVUQXUDTIOCOQZ-SZPZYZBQSA-N 0 0 494.640 4.841 20 0 JJADRN Cc1cc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456442032 1066587424 /nfs/dbraw/zinc/58/74/24/1066587424.db2.gz HUNYMAMDBMQCNO-HSZRJFAPSA-N 0 0 452.620 4.625 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC001361245581 1066587479 /nfs/dbraw/zinc/58/74/79/1066587479.db2.gz QTAUJDPXRSISOE-GOSISDBHSA-N 0 0 463.573 4.554 20 0 JJADRN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001445562828 1066587773 /nfs/dbraw/zinc/58/77/73/1066587773.db2.gz YOMUQGMVHKNFCL-BBATYDOGSA-N 0 0 451.354 4.654 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC001456445064 1066587948 /nfs/dbraw/zinc/58/79/48/1066587948.db2.gz IYGNLEODQMCADG-UHFFFAOYSA-N 0 0 457.578 4.908 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(c4ccc(F)cc4C)C3)CC2=O)cc1 ZINC001456443703 1066588035 /nfs/dbraw/zinc/58/80/35/1066588035.db2.gz MYPLBIYQWQFVHF-GGAORHGYSA-N 0 0 451.586 4.615 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361245828 1066587980 /nfs/dbraw/zinc/58/79/80/1066587980.db2.gz HEGRRYDBMCYXIO-MYGHRHJXSA-N 0 0 456.486 4.594 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1C ZINC001456444998 1066588053 /nfs/dbraw/zinc/58/80/53/1066588053.db2.gz IFNWJGRZCOAYRS-NVQXNPDNSA-N 0 0 452.620 4.603 20 0 JJADRN O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1cc(Br)cn(C2CC2)c1=O ZINC001456446026 1066588629 /nfs/dbraw/zinc/58/86/29/1066588629.db2.gz ORNUWNQOWLAROB-UHFFFAOYSA-N 0 0 459.340 4.684 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cccnc2)s1 ZINC001361246841 1066588831 /nfs/dbraw/zinc/58/88/31/1066588831.db2.gz FXVJFZIKXWJYKO-UHFFFAOYSA-N 0 0 481.025 4.506 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3s2)s1 ZINC001361246871 1066588931 /nfs/dbraw/zinc/58/89/31/1066588931.db2.gz GSFVEVIYKQLCSA-UHFFFAOYSA-N 0 0 453.637 4.880 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@H](C)C[C@@H](O)c3ccccc3)cc2Br)no1 ZINC001445571466 1066589063 /nfs/dbraw/zinc/58/90/63/1066589063.db2.gz FAARHBLFKIGVPK-JLTOFOAXSA-N 0 0 459.340 4.567 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOC(C)(C)C)s1 ZINC001361247181 1066589431 /nfs/dbraw/zinc/58/94/31/1066589431.db2.gz SMKMBXJSHMQIFL-UHFFFAOYSA-N 0 0 455.628 4.969 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cc(Br)n(C)n2)cc1C ZINC001456449461 1066589879 /nfs/dbraw/zinc/58/98/79/1066589879.db2.gz PGUNUTUUOKRMQI-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)Nc1nc2cc(Br)ccc2[nH]1 ZINC001361247424 1066589906 /nfs/dbraw/zinc/58/99/06/1066589906.db2.gz BZEZQJXXCBNCAF-UHFFFAOYSA-N 0 0 455.175 4.960 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001361247731 1066590349 /nfs/dbraw/zinc/59/03/49/1066590349.db2.gz LYQMQUISGQRAPH-UWJYYQICSA-N 0 0 455.555 4.568 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)s1 ZINC001361247801 1066590479 /nfs/dbraw/zinc/59/04/79/1066590479.db2.gz BGAXWZLFUKQKOV-HKUYNNGSSA-N 0 0 490.073 4.799 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)s1 ZINC001445582879 1066590572 /nfs/dbraw/zinc/59/05/72/1066590572.db2.gz KGCJNDATTIFWHL-SUMWQHHRSA-N 0 0 455.671 4.773 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c(Cl)c1 ZINC001445583473 1066590645 /nfs/dbraw/zinc/59/06/45/1066590645.db2.gz YTILQTLUIVHAHO-SFHVURJKSA-N 0 0 458.942 4.801 20 0 JJADRN COc1cc(NC2CCN(C(=O)CCSc3nc4ccccc4s3)CC2)cc(OC)c1 ZINC001445582616 1066590666 /nfs/dbraw/zinc/59/06/66/1066590666.db2.gz DVGJVSXCHJAVLV-UHFFFAOYSA-N 0 0 457.621 4.899 20 0 JJADRN O=C(Nc1ccccc1C(=O)Nc1cccn(Cc2ccccc2)c1=O)OCc1ccccc1 ZINC001445584059 1066590687 /nfs/dbraw/zinc/59/06/87/1066590687.db2.gz NVQIJNIDRNNOHI-UHFFFAOYSA-N 0 0 453.498 4.898 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccn(CC(C)C)c2=O)c2ccccc2Cl)c(OC)c1 ZINC001361247614 1066590514 /nfs/dbraw/zinc/59/05/14/1066590514.db2.gz JFKMENNBNDIJSJ-QHCPKHFHSA-N 0 0 454.954 4.694 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)cc1 ZINC001456451168 1066590637 /nfs/dbraw/zinc/59/06/37/1066590637.db2.gz HWBKMGGGPCHIPG-UHFFFAOYSA-N 0 0 451.523 4.734 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)s1 ZINC001361248012 1066590802 /nfs/dbraw/zinc/59/08/02/1066590802.db2.gz DXKVZURLMFEJAV-MRXNPFEDSA-N 0 0 497.024 4.620 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC001361248069 1066590861 /nfs/dbraw/zinc/59/08/61/1066590861.db2.gz QGTKOEUUJCQPCG-ZDUSSCGKSA-N 0 0 454.495 4.521 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC001456452045 1066590879 /nfs/dbraw/zinc/59/08/79/1066590879.db2.gz LGHYDFBYTFENEY-UHFFFAOYSA-N 0 0 453.841 4.855 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001456452122 1066590960 /nfs/dbraw/zinc/59/09/60/1066590960.db2.gz MGGHXQWLQOXVNW-UHFFFAOYSA-N 0 0 456.848 4.964 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1cccn(Cc3ccccc3)c1=O)N2C(=O)OC(C)(C)C ZINC001445584144 1066591128 /nfs/dbraw/zinc/59/11/28/1066591128.db2.gz OOQSWJVGOACSNV-QHCPKHFHSA-N 0 0 459.546 4.510 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCSC2)s1 ZINC001361248135 1066591327 /nfs/dbraw/zinc/59/13/27/1066591327.db2.gz HGIJAFBNVPBFFW-NTKDMRAZSA-N 0 0 472.680 4.909 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1F ZINC001361248248 1066591750 /nfs/dbraw/zinc/59/17/50/1066591750.db2.gz SMFOQGLYVVBOJI-FUHWJXTLSA-N 0 0 455.530 4.711 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)o1 ZINC001361248320 1066591895 /nfs/dbraw/zinc/59/18/95/1066591895.db2.gz JUVBTWIKBKHLBC-SFHVURJKSA-N 0 0 474.989 4.541 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001492598165 1066592179 /nfs/dbraw/zinc/59/21/79/1066592179.db2.gz KBJDBGGQVIETCC-SFHVURJKSA-N 0 0 466.548 4.680 20 0 JJADRN COc1cc(NC2CCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc(OC)c1 ZINC001445587435 1066592226 /nfs/dbraw/zinc/59/22/26/1066592226.db2.gz SZMSBHPRDSUILW-UHFFFAOYSA-N 0 0 458.356 4.664 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)c3cc(Br)nc(Br)c3)cc2)n[nH]1 ZINC001445588719 1066592240 /nfs/dbraw/zinc/59/22/40/1066592240.db2.gz PAAZNWYQMMCVNR-UHFFFAOYSA-N 0 0 452.106 4.683 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(F)(F)C2)s1 ZINC001361248508 1066592326 /nfs/dbraw/zinc/59/23/26/1066592326.db2.gz MHSFLTHIHQGNIB-UWJYYQICSA-N 0 0 454.587 4.760 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc3cc(Br)ccc3s2)c1 ZINC001456463874 1066592412 /nfs/dbraw/zinc/59/24/12/1066592412.db2.gz KRBZCPRRBJVFRF-AREMUKBSSA-N 0 0 452.395 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](CCCCc2ccccc2)c2ccccc2)C1 ZINC001445589810 1066592646 /nfs/dbraw/zinc/59/26/46/1066592646.db2.gz FEYWBMVXWPGMSG-BJKOFHAPSA-N 0 0 452.595 4.893 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2(O)CCO[C@@H]2C)o1 ZINC001361248980 1066592681 /nfs/dbraw/zinc/59/26/81/1066592681.db2.gz XCBPNKJOBBJFPI-OSWQYVSFSA-N 0 0 489.016 4.766 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)NCC2(OC(C)C)CCCCC2)cc1OC ZINC001445590053 1066592774 /nfs/dbraw/zinc/59/27/74/1066592774.db2.gz HOQOVRMRBGLCRM-UHFFFAOYSA-N 0 0 454.567 4.814 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nnc(C)s2)s1 ZINC001361248941 1066592832 /nfs/dbraw/zinc/59/28/32/1066592832.db2.gz WKMJNGOKCYEOPE-CQSZACIVSA-N 0 0 458.588 4.772 20 0 JJADRN O=C(N[C@@H](CCCCc1ccccc1)c1ccccc1)c1c[nH]nc1I ZINC001445591404 1066593182 /nfs/dbraw/zinc/59/31/82/1066593182.db2.gz MONUIJBUFDMVKF-IBGZPJMESA-N 0 0 459.331 4.898 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)C(F)(F)F ZINC001361249354 1066593225 /nfs/dbraw/zinc/59/32/25/1066593225.db2.gz LKUSKPFVGDVAHV-GOSISDBHSA-N 0 0 452.502 4.981 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCCOC[C@H]2CCCO2)o1 ZINC001361249674 1066593269 /nfs/dbraw/zinc/59/32/69/1066593269.db2.gz AMIPMWDLAJBVLK-OAQYLSRUSA-N 0 0 489.414 4.831 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)c2cccs2)CCO1 ZINC001546082702 1066593267 /nfs/dbraw/zinc/59/32/67/1066593267.db2.gz BICJHCVTCPDYCG-YADHBBJMSA-N 0 0 491.455 4.682 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@@H]2C)o1 ZINC001361249748 1066593519 /nfs/dbraw/zinc/59/35/19/1066593519.db2.gz DFOWPVXQWNHSJI-YJBOKZPZSA-N 0 0 459.388 4.918 20 0 JJADRN CC1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC001456471637 1066593550 /nfs/dbraw/zinc/59/35/50/1066593550.db2.gz BZGDSPPXKNLTRG-HXUWFJFHSA-N 0 0 453.526 4.607 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2=O)o1 ZINC001361249713 1066593598 /nfs/dbraw/zinc/59/35/98/1066593598.db2.gz CDKLGWNKOBSSCS-UHFFFAOYSA-N 0 0 486.414 4.648 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2F)o1 ZINC001361249678 1066593673 /nfs/dbraw/zinc/59/36/73/1066593673.db2.gz ASVVCSCUMGTMCB-UHFFFAOYSA-N 0 0 458.335 4.955 20 0 JJADRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c(C)c1 ZINC001445599807 1066593742 /nfs/dbraw/zinc/59/37/42/1066593742.db2.gz UHFQWDKUOCUPIC-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN C[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445600390 1066593761 /nfs/dbraw/zinc/59/37/61/1066593761.db2.gz KLVQKPWUCWCIDO-NSHDSACASA-N 0 0 457.353 4.656 20 0 JJADRN CCc1nc2c(nccc2C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)[nH]1 ZINC001445598677 1066593780 /nfs/dbraw/zinc/59/37/80/1066593780.db2.gz GAYBALOKNXZGJD-LLVKDONJSA-N 0 0 456.369 4.897 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCO[C@@H](C)C2)o1 ZINC001361249762 1066594193 /nfs/dbraw/zinc/59/41/93/1066594193.db2.gz DPZFEBKGNYAMOU-JKSUJKDBSA-N 0 0 462.392 4.779 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC[C@H](C)c3ccc(Br)cc3)C2)c1 ZINC001456477685 1066594137 /nfs/dbraw/zinc/59/41/37/1066594137.db2.gz FPPHNSSIRXERIQ-HKUYNNGSSA-N 0 0 458.400 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001445608127 1066594531 /nfs/dbraw/zinc/59/45/31/1066594531.db2.gz PHIFPFPAUIWDQI-CQSZACIVSA-N 0 0 454.354 4.707 20 0 JJADRN O=C(NCC1(CO)CCCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445616293 1066595172 /nfs/dbraw/zinc/59/51/72/1066595172.db2.gz ZHHWDSWWVSGBBL-UHFFFAOYSA-N 0 0 453.764 4.962 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545977045 1066595330 /nfs/dbraw/zinc/59/53/30/1066595330.db2.gz DEZDYBMGOAMADR-NRFANRHFSA-N 0 0 479.629 4.670 20 0 JJADRN CCc1nc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cs1 ZINC001456483063 1066595276 /nfs/dbraw/zinc/59/52/76/1066595276.db2.gz ARPSOGAOLSAISK-HNNXBMFYSA-N 0 0 453.593 4.575 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001456484601 1066595803 /nfs/dbraw/zinc/59/58/03/1066595803.db2.gz KMKDZNLZEYQURD-FQEVSTJZSA-N 0 0 457.958 4.582 20 0 JJADRN C[C@@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456483584 1066595886 /nfs/dbraw/zinc/59/58/86/1066595886.db2.gz AOKGUAYLFDNVJI-LJQANCHMSA-N 0 0 459.546 4.695 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361250067 1066596349 /nfs/dbraw/zinc/59/63/49/1066596349.db2.gz PRVDUVLKMONECT-GFCCVEGCSA-N 0 0 473.375 4.982 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001456485039 1066596281 /nfs/dbraw/zinc/59/62/81/1066596281.db2.gz HUUIZBYEGYJDQQ-UHFFFAOYSA-N 0 0 450.766 4.906 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2 ZINC001445633715 1066596466 /nfs/dbraw/zinc/59/64/66/1066596466.db2.gz VBRHRMINTOOVGZ-YJBOKZPZSA-N 0 0 458.628 4.968 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)s1 ZINC001361250069 1066596408 /nfs/dbraw/zinc/59/64/08/1066596408.db2.gz PSCXQYLZTHICNX-HNNXBMFYSA-N 0 0 497.484 4.971 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001361250458 1066596749 /nfs/dbraw/zinc/59/67/49/1066596749.db2.gz IFPIZXZIDZYABU-UHFFFAOYSA-N 0 0 451.482 4.582 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001361250182 1066596786 /nfs/dbraw/zinc/59/67/86/1066596786.db2.gz AXLMJSWCTCLZRD-VWLOTQADSA-N 0 0 454.571 4.850 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2c[nH]nc2C)o1 ZINC001361250353 1066596883 /nfs/dbraw/zinc/59/68/83/1066596883.db2.gz WUVSWUSJYCJPFP-UHFFFAOYSA-N 0 0 456.497 4.749 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1csc(Br)n1 ZINC001445636743 1066596996 /nfs/dbraw/zinc/59/69/96/1066596996.db2.gz CSZAGXTXCKCUAY-UHFFFAOYSA-N 0 0 456.119 4.503 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001456487047 1066596957 /nfs/dbraw/zinc/59/69/57/1066596957.db2.gz LHXXDODQDPDREJ-UHFFFAOYSA-N 0 0 454.286 4.839 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361250538 1066597221 /nfs/dbraw/zinc/59/72/21/1066597221.db2.gz YYRGBKOBDMIOSQ-UHFFFAOYSA-N 0 0 472.655 4.994 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361250483 1066597371 /nfs/dbraw/zinc/59/73/71/1066597371.db2.gz XQWQQLXPBXGAAH-JGCGQSQUSA-N 0 0 466.554 4.632 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cccnc1SC(F)F ZINC001445639552 1066597459 /nfs/dbraw/zinc/59/74/59/1066597459.db2.gz XNLPCCJHKYAHSL-UHFFFAOYSA-N 0 0 453.268 4.993 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCCn2cccn2)o1 ZINC001361250833 1066597804 /nfs/dbraw/zinc/59/78/04/1066597804.db2.gz BPMYZZHKCSVGBX-UHFFFAOYSA-N 0 0 455.360 4.532 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001361250892 1066597837 /nfs/dbraw/zinc/59/78/37/1066597837.db2.gz SSROOWHTODNYHO-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)c1cccc(NCc2ccccn2)c1 ZINC001456491049 1066597893 /nfs/dbraw/zinc/59/78/93/1066597893.db2.gz ZMJKTPDKYQKOPW-FNZWTVRRSA-N 0 0 450.583 4.603 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491129 1066597971 /nfs/dbraw/zinc/59/79/71/1066597971.db2.gz TVJTZWPOXNAMQA-BUZMGHMJSA-N 0 0 455.643 4.535 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H](O)C2)o1 ZINC001361251072 1066598200 /nfs/dbraw/zinc/59/82/00/1066598200.db2.gz HOFHEEJSJKQVAG-DLBZAZTESA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCCOC[C@@H]2CCOC2)o1 ZINC001361251502 1066598904 /nfs/dbraw/zinc/59/89/04/1066598904.db2.gz VBRKKGVNBZATIH-SFHVURJKSA-N 0 0 489.414 4.689 20 0 JJADRN O=C(NCc1ccc2c(c1)COC2)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001445660421 1066599380 /nfs/dbraw/zinc/59/93/80/1066599380.db2.gz ZRUBRXFPKNJHAS-UHFFFAOYSA-N 0 0 457.313 4.912 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361251529 1066599399 /nfs/dbraw/zinc/59/93/99/1066599399.db2.gz WASSMYQVXUUOPU-MRXNPFEDSA-N 0 0 457.550 4.783 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001445671627 1066599824 /nfs/dbraw/zinc/59/98/24/1066599824.db2.gz OGCAOEKWXVIVKG-CDNPAEQRSA-N 0 0 456.583 4.526 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)c2)n1 ZINC001361252163 1066599927 /nfs/dbraw/zinc/59/99/27/1066599927.db2.gz PCTNSMAPJMMCNY-UHFFFAOYSA-N 0 0 458.419 4.539 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC001361252726 1066600437 /nfs/dbraw/zinc/60/04/37/1066600437.db2.gz KJJJBVWJTIKVAJ-UTKZUKDTSA-N 0 0 454.567 4.633 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC001361252723 1066600480 /nfs/dbraw/zinc/60/04/80/1066600480.db2.gz KJJJBVWJTIKVAJ-LAUBAEHRSA-N 0 0 454.567 4.633 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1C ZINC001445675908 1066600577 /nfs/dbraw/zinc/60/05/77/1066600577.db2.gz XCCGOIZIECIEIV-IBGZPJMESA-N 0 0 450.391 4.738 20 0 JJADRN CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc1 ZINC001445675558 1066600586 /nfs/dbraw/zinc/60/05/86/1066600586.db2.gz HRVWNLLMQKVNNC-QFIPXVFZSA-N 0 0 457.521 4.834 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC001445677427 1066600993 /nfs/dbraw/zinc/60/09/93/1066600993.db2.gz HHILLBCBUATYDO-INIZCTEOSA-N 0 0 450.894 4.704 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCSCCCO)s1 ZINC001361253209 1066601061 /nfs/dbraw/zinc/60/10/61/1066601061.db2.gz ZXELZAWGKPHVPV-UHFFFAOYSA-N 0 0 455.653 4.559 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001492598211 1066601094 /nfs/dbraw/zinc/60/10/94/1066601094.db2.gz KTZHQQXRIXHYCS-PXNSSMCTSA-N 0 0 452.521 4.554 20 0 JJADRN O=C(Nc1cc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)ccc1Cl)c1cccs1 ZINC001445678003 1066601150 /nfs/dbraw/zinc/60/11/50/1066601150.db2.gz JOCKGKBQEZTHCS-MRXNPFEDSA-N 0 0 453.322 4.910 20 0 JJADRN Cc1cc([C@H]2CCCCN2C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)[nH]n1 ZINC001456500030 1066601691 /nfs/dbraw/zinc/60/16/91/1066601691.db2.gz XXYZYEGEZKJUOQ-QGZVFWFLSA-N 0 0 457.328 4.693 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cc(COC(C)(C)C)on2)s1 ZINC001361253929 1066601738 /nfs/dbraw/zinc/60/17/38/1066601738.db2.gz DAERPNXTFUSWOX-FQEVSTJZSA-N 0 0 459.616 4.877 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)s1 ZINC001361254486 1066602553 /nfs/dbraw/zinc/60/25/53/1066602553.db2.gz KOONQXHUJDUFMG-UHFFFAOYSA-N 0 0 455.575 4.712 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001445685158 1066603069 /nfs/dbraw/zinc/60/30/69/1066603069.db2.gz YEBPPNWHJXAMQL-CQSZACIVSA-N 0 0 454.884 4.768 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)s1 ZINC001361255124 1066602920 /nfs/dbraw/zinc/60/29/20/1066602920.db2.gz HMGRYTWIOMKEKP-SFHVURJKSA-N 0 0 468.671 4.541 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cnn(CC(C)C)c2C(F)F)CC1 ZINC001445684476 1066603107 /nfs/dbraw/zinc/60/31/07/1066603107.db2.gz MSLDQJWEJIVCPS-UHFFFAOYSA-N 0 0 452.571 4.695 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CCOc2ccc(F)c(Cl)c2)s1 ZINC001361255491 1066603804 /nfs/dbraw/zinc/60/38/04/1066603804.db2.gz XLGCEJRLRRNAIG-UHFFFAOYSA-N 0 0 458.950 4.613 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(C)cc3)C2)cc(OC)c1 ZINC001445688893 1066603799 /nfs/dbraw/zinc/60/37/99/1066603799.db2.gz LBRVDTJRJLBICN-OAQYLSRUSA-N 0 0 458.558 4.960 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001456504786 1066604162 /nfs/dbraw/zinc/60/41/62/1066604162.db2.gz ORNYFFYHOYYKBQ-OAHLLOKOSA-N 0 0 457.290 4.675 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCc2cc(Br)ccc2F)o1 ZINC001361255952 1066604399 /nfs/dbraw/zinc/60/43/99/1066604399.db2.gz UOQXNWXEUXZUMR-KRWDZBQOSA-N 0 0 477.378 4.854 20 0 JJADRN O=C(Nc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1)c1ccc(Br)o1 ZINC001445691222 1066604304 /nfs/dbraw/zinc/60/43/04/1066604304.db2.gz WABOXRPQHGGWHF-UHFFFAOYSA-N 0 0 457.328 4.536 20 0 JJADRN CC(C)(C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc2c(c1)OCO2 ZINC001456504906 1066604373 /nfs/dbraw/zinc/60/43/73/1066604373.db2.gz ITHMCDMZIDDPPV-UHFFFAOYSA-N 0 0 456.340 4.533 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCn2c(CC)nc3ccccc32)CC1 ZINC001445690052 1066604426 /nfs/dbraw/zinc/60/44/26/1066604426.db2.gz VACUWVYYIDXWQX-UHFFFAOYSA-N 0 0 452.624 4.594 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)nn1-c1ccccc1Cl ZINC001456506670 1066605057 /nfs/dbraw/zinc/60/50/57/1066605057.db2.gz RCGJZEJONQTAIO-HNNXBMFYSA-N 0 0 459.775 4.605 20 0 JJADRN C[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361257062 1066605625 /nfs/dbraw/zinc/60/56/25/1066605625.db2.gz IYIQHCHLPMFHAC-OXJNMPFZSA-N 0 0 452.904 4.678 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC001456508327 1066605727 /nfs/dbraw/zinc/60/57/27/1066605727.db2.gz CHYBBACANFZUSB-QGZVFWFLSA-N 0 0 454.452 4.686 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001445703672 1066606973 /nfs/dbraw/zinc/60/69/73/1066606973.db2.gz HCWIJROANWFSRD-MRXNPFEDSA-N 0 0 456.753 4.690 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(NC(=O)NC(C)C)cc2)s1 ZINC001361257979 1066607149 /nfs/dbraw/zinc/60/71/49/1066607149.db2.gz MSWASEZTJJHTHI-UHFFFAOYSA-N 0 0 489.649 4.848 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H](C)Cc2ccccc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456513272 1066607427 /nfs/dbraw/zinc/60/74/27/1066607427.db2.gz IAKVDCBHSUPHEU-UQBPGWFLSA-N 0 0 453.579 4.930 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001456512993 1066607493 /nfs/dbraw/zinc/60/74/93/1066607493.db2.gz HXNBDCNBCZEWTP-HPBDAGMYSA-N 0 0 456.505 4.888 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCCC2=O)s1 ZINC001361258293 1066607531 /nfs/dbraw/zinc/60/75/31/1066607531.db2.gz RJTNTOIYUDMONM-UHFFFAOYSA-N 0 0 473.593 4.556 20 0 JJADRN C/C=C\COc1cccc(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445705591 1066607642 /nfs/dbraw/zinc/60/76/42/1066607642.db2.gz CLDUOERHDIULOT-KYVUIXNKSA-N 0 0 453.892 4.646 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258612 1066608517 /nfs/dbraw/zinc/60/85/17/1066608517.db2.gz YYIZVQRHXSOQOP-CYBMUJFWSA-N 0 0 459.295 4.928 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC2CCOCC2)CCO1 ZINC001546082968 1066608592 /nfs/dbraw/zinc/60/85/92/1066608592.db2.gz GYTYOMRBCKUJPM-UQBPGWFLSA-N 0 0 493.048 4.663 20 0 JJADRN C[C@@H]1CN(C(=O)CC2(CSc3ccccc3)CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258545 1066608547 /nfs/dbraw/zinc/60/85/47/1066608547.db2.gz XQGMYJOANAAZIX-LJQANCHMSA-N 0 0 457.039 4.904 20 0 JJADRN CC[C@](O)(CCC(F)(F)F)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001456516359 1066609074 /nfs/dbraw/zinc/60/90/74/1066609074.db2.gz XYAPQRSQDQMHNY-KRWDZBQOSA-N 0 0 454.436 4.971 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361259173 1066609748 /nfs/dbraw/zinc/60/97/48/1066609748.db2.gz SPOIFTNISLLDDY-GOSISDBHSA-N 0 0 453.587 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@H](O)c3ccc4ccccc4c3)cc2C1 ZINC001445717450 1066609926 /nfs/dbraw/zinc/60/99/26/1066609926.db2.gz BKWPXLUSQOBEHX-FQEVSTJZSA-N 0 0 452.576 4.658 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)nc2)cc1 ZINC001456519370 1066610346 /nfs/dbraw/zinc/61/03/46/1066610346.db2.gz NSGPSHNVQKJGTO-UTKZUKDTSA-N 0 0 455.555 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCCN2CCCCCC2=O)s1 ZINC001361260951 1066610448 /nfs/dbraw/zinc/61/04/48/1066610448.db2.gz BNULWHLTGWDICA-UHFFFAOYSA-N 0 0 485.629 4.795 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2NC(=O)CC2(C)C)o1 ZINC001361260962 1066610998 /nfs/dbraw/zinc/61/09/98/1066610998.db2.gz BXCHVTDJBMFAEJ-LJQANCHMSA-N 0 0 492.407 4.616 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)o1 ZINC001361260961 1066611059 /nfs/dbraw/zinc/61/10/59/1066611059.db2.gz BXCHVTDJBMFAEJ-IBGZPJMESA-N 0 0 492.407 4.616 20 0 JJADRN O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001456521420 1066611702 /nfs/dbraw/zinc/61/17/02/1066611702.db2.gz XHCXTAJDSHCCOA-MRVPVSSYSA-N 0 0 452.633 4.680 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445729045 1066611690 /nfs/dbraw/zinc/61/16/90/1066611690.db2.gz ZBXXTJKIXGGNEA-IAPPQJPRSA-N 0 0 454.570 4.526 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545978263 1066611769 /nfs/dbraw/zinc/61/17/69/1066611769.db2.gz ZWVMIVGMRMPWTQ-FQEVSTJZSA-N 0 0 481.645 4.916 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1cc(CN2CCCC2)on1 ZINC001445726897 1066611778 /nfs/dbraw/zinc/61/17/78/1066611778.db2.gz BGFQGIDCFBYBEP-OAQYLSRUSA-N 0 0 458.331 4.691 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001456523505 1066612323 /nfs/dbraw/zinc/61/23/23/1066612323.db2.gz RHTOYQVJEOKYTK-DEOSSOPVSA-N 0 0 455.938 4.902 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2Cl)c1 ZINC001456523280 1066612465 /nfs/dbraw/zinc/61/24/65/1066612465.db2.gz QRAVVHRYYWIOEX-BXKMTCNYSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)COCCO2)o1 ZINC001361261189 1066612409 /nfs/dbraw/zinc/61/24/09/1066612409.db2.gz KBZLCTNMBWLOLP-JOCHJYFZSA-N 0 0 481.380 4.507 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001456524651 1066612796 /nfs/dbraw/zinc/61/27/96/1066612796.db2.gz CJXYGLIIEOREOL-UHFFFAOYSA-N 0 0 458.518 4.991 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361261270 1066612803 /nfs/dbraw/zinc/61/28/03/1066612803.db2.gz NEJGCCZDCWNQGR-KRWDZBQOSA-N 0 0 487.576 4.789 20 0 JJADRN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1c(F)c(F)c(Br)c(F)c1F ZINC001445738351 1066612855 /nfs/dbraw/zinc/61/28/55/1066612855.db2.gz HFMSBHWSUQOANC-SNVBAGLBSA-N 0 0 458.209 4.986 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)CCOc2ccc(CCC(C)=O)cc2)c1 ZINC001456526335 1066613556 /nfs/dbraw/zinc/61/35/56/1066613556.db2.gz VXDHYJGSXCPAJH-UHFFFAOYSA-N 0 0 457.530 4.963 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001546083081 1066613595 /nfs/dbraw/zinc/61/35/95/1066613595.db2.gz ILTXMAWGAATMCI-XYHYBEPMSA-N 0 0 460.594 4.504 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445741003 1066613772 /nfs/dbraw/zinc/61/37/72/1066613772.db2.gz JONSJWYEJAHDPX-QWHCGFSZSA-N 0 0 450.284 4.747 20 0 JJADRN O=C(c1cccc(CNc2ccncn2)c1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456530215 1066614303 /nfs/dbraw/zinc/61/43/03/1066614303.db2.gz NVGGLQANLHXIQC-NRFANRHFSA-N 0 0 451.368 4.699 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)o1 ZINC001361261639 1066614268 /nfs/dbraw/zinc/61/42/68/1066614268.db2.gz VLZOVSJHLQDOCC-IFMALSPDSA-N 0 0 469.561 4.512 20 0 JJADRN CN(C(=O)CN1CCc2ccccc2C1=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456532332 1066614996 /nfs/dbraw/zinc/61/49/96/1066614996.db2.gz BGWNIXMBUZAABA-UHFFFAOYSA-N 0 0 455.436 4.554 20 0 JJADRN Nc1cc(Br)c(F)cc1C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456531778 1066615038 /nfs/dbraw/zinc/61/50/38/1066615038.db2.gz SAROVOYYVJRSNT-CYBMUJFWSA-N 0 0 456.153 4.780 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(-c3cccnc3)n2CCC(=O)NC(C)(C)C)s1 ZINC001361262202 1066615506 /nfs/dbraw/zinc/61/55/06/1066615506.db2.gz WEXNITPNARMUCE-UHFFFAOYSA-N 0 0 478.622 4.815 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)C1 ZINC001445779527 1066615781 /nfs/dbraw/zinc/61/57/81/1066615781.db2.gz FUWSKBRUBMQMLC-UZLBHIALSA-N 0 0 459.587 4.958 20 0 JJADRN Cc1ccccc1-c1nc(CNC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)no1 ZINC001445777918 1066615942 /nfs/dbraw/zinc/61/59/42/1066615942.db2.gz LUMVGBYJCWXKEM-XMMPIXPASA-N 0 0 458.537 4.702 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N2CCCc3cc(C)cc(C)c32)nnc1-c1ccccc1 ZINC001361262872 1066616165 /nfs/dbraw/zinc/61/61/65/1066616165.db2.gz CLUULQQDYNZCET-LJQANCHMSA-N 0 0 450.608 4.841 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](CC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361263424 1066616579 /nfs/dbraw/zinc/61/65/79/1066616579.db2.gz AUCFYPMODOXROX-SFHVURJKSA-N 0 0 481.563 4.587 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)NCc3coc(-c4ccccc4)n3)[nH]c(=O)c2c1C ZINC001456536004 1066616692 /nfs/dbraw/zinc/61/66/92/1066616692.db2.gz LCJZRHFHJIFMQE-AWEZNQCLSA-N 0 0 454.577 4.607 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cnn(CCC(F)(F)F)c2)n1C ZINC001456536788 1066616753 /nfs/dbraw/zinc/61/67/53/1066616753.db2.gz PQCKZRWWPXHOTD-UHFFFAOYSA-N 0 0 456.266 4.559 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)c(OCC(F)(F)F)c1 ZINC001361264752 1066617502 /nfs/dbraw/zinc/61/75/02/1066617502.db2.gz SXRQMCZHBTVPTL-UHFFFAOYSA-N 0 0 493.496 4.774 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)CCc2cc(Br)c(Br)s2)C12CCC2 ZINC001456537362 1066617498 /nfs/dbraw/zinc/61/74/98/1066617498.db2.gz WATOBIOEOQBWEX-QWHCGFSZSA-N 0 0 451.224 4.670 20 0 JJADRN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC001445785730 1066617539 /nfs/dbraw/zinc/61/75/39/1066617539.db2.gz XCXLPTPAEKPIAO-QGZVFWFLSA-N 0 0 451.391 4.820 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)CN3CC(=O)N(C)C3=O)cc2F)cc1 ZINC001456537564 1066617957 /nfs/dbraw/zinc/61/79/57/1066617957.db2.gz XGZBJORJERYLRE-INIZCTEOSA-N 0 0 457.571 4.514 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Br)cc3F)ccc2C)ccn1 ZINC001361266439 1066618525 /nfs/dbraw/zinc/61/85/25/1066618525.db2.gz WFUMUYPPJXGSOA-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 ZINC001361266626 1066618583 /nfs/dbraw/zinc/61/85/83/1066618583.db2.gz BWWOLJNZMLKMOD-SFHVURJKSA-N 0 0 485.629 4.716 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC2CCOCC2)cn1 ZINC001361266674 1066618633 /nfs/dbraw/zinc/61/86/33/1066618633.db2.gz CPZSWHNOSRWJQZ-SFHVURJKSA-N 0 0 455.990 4.686 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001456539931 1066619283 /nfs/dbraw/zinc/61/92/83/1066619283.db2.gz RKFHCMCIAASLHV-ZJUUUORDSA-N 0 0 451.189 4.806 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)[C@H](O)c3c(F)cccc3Cl)cc21 ZINC001445797511 1066619359 /nfs/dbraw/zinc/61/93/59/1066619359.db2.gz HSLZYRUJIYMAMI-YYSFKGJASA-N 0 0 455.711 4.583 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@@H](O)c1c(F)cccc1Cl ZINC001445799921 1066619797 /nfs/dbraw/zinc/61/97/97/1066619797.db2.gz KSVVRYNYLBLOGB-MCMMXHMISA-N 0 0 457.958 4.870 20 0 JJADRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC001456540752 1066619923 /nfs/dbraw/zinc/61/99/23/1066619923.db2.gz IXPWFONCZUUADH-CTNGQTDRSA-N 0 0 477.786 4.697 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N2CCN(CC(F)F)CC2)s1 ZINC001361267645 1066620036 /nfs/dbraw/zinc/62/00/36/1066620036.db2.gz ASGIRDSBEHQZLX-UHFFFAOYSA-N 0 0 482.398 4.513 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)c(=O)n1C ZINC001361267854 1066620572 /nfs/dbraw/zinc/62/05/72/1066620572.db2.gz PSLMDPRRGVANKI-IEBWSBKVSA-N 0 0 484.044 4.999 20 0 JJADRN COc1cc(/C=C(\C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc2)ccc1O ZINC001445800976 1066620721 /nfs/dbraw/zinc/62/07/21/1066620721.db2.gz JWUJRLRWNOFZDB-DUBROFONSA-N 0 0 457.448 4.810 20 0 JJADRN CCc1c(C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)nnn1-c1cccc(Cl)c1 ZINC001445804162 1066620764 /nfs/dbraw/zinc/62/07/64/1066620764.db2.gz OMNJOFABJGIXBI-NSPYISDASA-N 0 0 453.757 4.642 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)[C@@H]2C1 ZINC001456545772 1066621395 /nfs/dbraw/zinc/62/13/95/1066621395.db2.gz ISPQEQZEFTZVDP-CIWUYKSXSA-N 0 0 478.372 4.899 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)CCC2=O)cc1C ZINC001456544287 1066621417 /nfs/dbraw/zinc/62/14/17/1066621417.db2.gz RFWYBOHAKCGRDW-OAQYLSRUSA-N 0 0 452.982 4.821 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)cc2)c1 ZINC001445804175 1066621403 /nfs/dbraw/zinc/62/14/03/1066621403.db2.gz OPHULJKFHDGIDK-QMHKHESXSA-N 0 0 454.929 4.569 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)cc2)c1 ZINC001445804176 1066621449 /nfs/dbraw/zinc/62/14/49/1066621449.db2.gz OPHULJKFHDGIDK-WAIKUNEKSA-N 0 0 454.929 4.569 20 0 JJADRN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(NCc2ccsc2)cc1 ZINC001445807522 1066621743 /nfs/dbraw/zinc/62/17/43/1066621743.db2.gz RACXTZHYBCVRML-QGZVFWFLSA-N 0 0 451.375 4.837 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1C(F)(F)F ZINC001445810859 1066621936 /nfs/dbraw/zinc/62/19/36/1066621936.db2.gz UWKXSTFLRIJTQL-AWEZNQCLSA-N 0 0 456.180 4.950 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCc2cnccn2)cn1 ZINC001361269040 1066622463 /nfs/dbraw/zinc/62/24/63/1066622463.db2.gz ZXBJUVPDSUUDJM-FQEVSTJZSA-N 0 0 492.027 4.909 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001361269043 1066622488 /nfs/dbraw/zinc/62/24/88/1066622488.db2.gz ZZRGAJUFQQNYCJ-HSALFYBXSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](OCC(C)C)C2)c(F)c1 ZINC001361269061 1066622510 /nfs/dbraw/zinc/62/25/10/1066622510.db2.gz WDDGROZYMJNAQY-LJQANCHMSA-N 0 0 490.421 4.793 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)C(C)(C)c1ccccc1Cl)CC2 ZINC001456549286 1066622611 /nfs/dbraw/zinc/62/26/11/1066622611.db2.gz DTKLIXGPYNOOIQ-QGZVFWFLSA-N 0 0 451.007 4.540 20 0 JJADRN CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361269357 1066622854 /nfs/dbraw/zinc/62/28/54/1066622854.db2.gz HXCKOIKFAJWHKV-PZJWPPBQSA-N 0 0 456.542 4.873 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[C@@H](O)c1c(F)cccc1Cl ZINC001445819208 1066623046 /nfs/dbraw/zinc/62/30/46/1066623046.db2.gz ZKUKZHSOYWVQOH-IQMFZBJNSA-N 0 0 450.901 4.579 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H](O)c1ccccc1F ZINC001445818017 1066623057 /nfs/dbraw/zinc/62/30/57/1066623057.db2.gz UCEPJEMEYOAHOL-CVEARBPZSA-N 0 0 452.217 4.988 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC001445822573 1066623826 /nfs/dbraw/zinc/62/38/26/1066623826.db2.gz OUPVDNSXBHWGGI-SFHVURJKSA-N 0 0 451.571 4.542 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3cccnc3OCC(F)F)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361270694 1066624161 /nfs/dbraw/zinc/62/41/61/1066624161.db2.gz KHJNISBIFBTGJI-STQMWFEESA-N 0 0 459.415 4.610 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001361270691 1066624256 /nfs/dbraw/zinc/62/42/56/1066624256.db2.gz MMNNHWZEGWKSHS-HNNXBMFYSA-N 0 0 451.361 4.894 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001445833138 1066624233 /nfs/dbraw/zinc/62/42/33/1066624233.db2.gz XSFVKBYMSWQYOM-HNNXBMFYSA-N 0 0 454.493 4.704 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)C(C)(C)CCCc1ccccc1)CC2 ZINC001456558886 1066624452 /nfs/dbraw/zinc/62/44/52/1066624452.db2.gz NGVWIQLYXGMSFE-JOCHJYFZSA-N 0 0 458.643 4.958 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361271792 1066624774 /nfs/dbraw/zinc/62/47/74/1066624774.db2.gz BVBRPUQWYPYBNG-HXUWFJFHSA-N 0 0 483.016 4.844 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H](O)c1c(Cl)cccc1Cl ZINC001445833266 1066624938 /nfs/dbraw/zinc/62/49/38/1066624938.db2.gz ZCJDUIPEQKWZKV-NJYAMGIBSA-N 0 0 455.179 4.880 20 0 JJADRN Cn1c(C(=O)N2CCN(c3cccs3)CC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001445838753 1066625045 /nfs/dbraw/zinc/62/50/45/1066625045.db2.gz BSWBJXFORJTTPB-LJQANCHMSA-N 0 0 458.628 4.511 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3ccc(F)cc3)o1)CC2 ZINC001456560233 1066625073 /nfs/dbraw/zinc/62/50/73/1066625073.db2.gz OILAGRHWAIMPNO-IBGZPJMESA-N 0 0 458.530 4.622 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3ccncc3Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361271480 1066624850 /nfs/dbraw/zinc/62/48/50/1066624850.db2.gz UGMFKHZRYRRZAU-RYUDHWBXSA-N 0 0 458.278 4.729 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC001361271781 1066624879 /nfs/dbraw/zinc/62/48/79/1066624879.db2.gz BKUKNBKDFMNMOW-UHFFFAOYSA-N 0 0 486.979 4.546 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)c2cccs2)c(=O)n1C ZINC001361271970 1066625529 /nfs/dbraw/zinc/62/55/29/1066625529.db2.gz HCAGVVXMCNKKFE-MRXNPFEDSA-N 0 0 453.999 4.913 20 0 JJADRN Cc1ccnc2nc(C(=O)Nc3cc(Br)ccc3Oc3ccc(Cl)cc3)nn21 ZINC001361271889 1066625540 /nfs/dbraw/zinc/62/55/40/1066625540.db2.gz AQPACPKOLBWCSB-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC001445846245 1066625759 /nfs/dbraw/zinc/62/57/59/1066625759.db2.gz APFUCNQZHRBENY-QFIPXVFZSA-N 0 0 459.525 4.771 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1 ZINC001456561811 1066625730 /nfs/dbraw/zinc/62/57/30/1066625730.db2.gz JOHMQKKRTPRRMA-GFCCVEGCSA-N 0 0 459.395 4.857 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(F)(F)F)CC2)c(=O)n1C ZINC001361272200 1066626281 /nfs/dbraw/zinc/62/62/81/1066626281.db2.gz KGDVCNGKOKSZIU-UHFFFAOYSA-N 0 0 483.897 4.572 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001456564380 1066626419 /nfs/dbraw/zinc/62/64/19/1066626419.db2.gz HMIRLPIBZNSXIG-SCLBCKFNSA-N 0 0 451.017 4.664 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC001445852224 1066626418 /nfs/dbraw/zinc/62/64/18/1066626418.db2.gz AHZHNLYFBNXFML-SBUREZEXSA-N 0 0 453.560 4.947 20 0 JJADRN COc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1OCc1ccccc1 ZINC001445852219 1066626510 /nfs/dbraw/zinc/62/65/10/1066626510.db2.gz AHZHNLYFBNXFML-GAJHUEQPSA-N 0 0 453.560 4.947 20 0 JJADRN C[S@@](=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 ZINC001456564536 1066626497 /nfs/dbraw/zinc/62/64/97/1066626497.db2.gz KDZFMSWBJDMYDP-MUUNZHRXSA-N 0 0 457.349 4.691 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ccc(C)nc2)cnn1C ZINC001361272257 1066626785 /nfs/dbraw/zinc/62/67/85/1066626785.db2.gz LLETVKALSQYWRE-UHFFFAOYSA-N 0 0 473.625 4.800 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cccc(OCC(F)(F)F)c2)n1 ZINC001361272402 1066626796 /nfs/dbraw/zinc/62/67/96/1066626796.db2.gz HQTMTLKIFOYNEM-UHFFFAOYSA-N 0 0 455.820 4.772 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H](C(C)C)C2)s1 ZINC001361272982 1066628094 /nfs/dbraw/zinc/62/80/94/1066628094.db2.gz MMXUBMFBKGZJNQ-IBGZPJMESA-N 0 0 458.653 4.639 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC001361272808 1066628162 /nfs/dbraw/zinc/62/81/62/1066628162.db2.gz QSSGTLQOEXTQPJ-UHFFFAOYSA-N 0 0 464.492 4.891 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)CC[C@@H]2C)c(=O)n1C ZINC001361272806 1066628195 /nfs/dbraw/zinc/62/81/95/1066628195.db2.gz QQRBLTCITPDCIH-ZBFHGGJFSA-N 0 0 488.405 4.527 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1cc(F)ccc1F ZINC001456570667 1066628375 /nfs/dbraw/zinc/62/83/75/1066628375.db2.gz VBHLOYKWVSNAPS-HSZRJFAPSA-N 0 0 458.530 4.979 20 0 JJADRN Cc1cccc([C@H](NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)C(=O)OC(C)(C)C)c1 ZINC001456569791 1066628413 /nfs/dbraw/zinc/62/84/13/1066628413.db2.gz WRAGOQOFTJGBHU-KRWDZBQOSA-N 0 0 450.413 4.673 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@H](C)[C@@H]2C)c(=O)n1C ZINC001361273156 1066628877 /nfs/dbraw/zinc/62/88/77/1066628877.db2.gz WSCZUKFFRUEDNT-FPOVZHCZSA-N 0 0 463.626 4.660 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n1 ZINC001361273378 1066629483 /nfs/dbraw/zinc/62/94/83/1066629483.db2.gz PLASPSKMPQHFHN-CYBMUJFWSA-N 0 0 450.322 4.947 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CCO1 ZINC001546083539 1066629581 /nfs/dbraw/zinc/62/95/81/1066629581.db2.gz PBGFUYFHUJPLBR-AMDXRBSFSA-N 0 0 474.671 4.505 20 0 JJADRN CCCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC001456576995 1066629639 /nfs/dbraw/zinc/62/96/39/1066629639.db2.gz KBVOCTQSFCFEMT-PMACEKPBSA-N 0 0 458.672 4.967 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(O)c1 ZINC001445874009 1066629757 /nfs/dbraw/zinc/62/97/57/1066629757.db2.gz CSVODDNZALYPJE-QGZVFWFLSA-N 0 0 450.438 4.569 20 0 JJADRN COc1cc(-c2noc(CCCCCNC(=O)C3(c4cccc(F)c4)CCC3)n2)ccc1O ZINC001445880499 1066630437 /nfs/dbraw/zinc/63/04/37/1066630437.db2.gz GNXBDWSVLABXEJ-UHFFFAOYSA-N 0 0 453.514 4.541 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361274748 1066631625 /nfs/dbraw/zinc/63/16/25/1066631625.db2.gz IDBKCZLPUSWABE-FQEVSTJZSA-N 0 0 480.588 4.672 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001456581280 1066631658 /nfs/dbraw/zinc/63/16/58/1066631658.db2.gz CULCMOGIMJBGJL-YOYMELPUSA-N 0 0 450.620 4.527 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001456581876 1066631730 /nfs/dbraw/zinc/63/17/30/1066631730.db2.gz DGIHYOBHXJKACH-QMHKHESXSA-N 0 0 458.530 4.885 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)C(F)F)CC2)s1 ZINC001361274487 1066631713 /nfs/dbraw/zinc/63/17/13/1066631713.db2.gz GEZJHIHEWBXGNC-UHFFFAOYSA-N 0 0 471.499 4.525 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979574 1066631750 /nfs/dbraw/zinc/63/17/50/1066631750.db2.gz DXPLVHCWSXSNOB-ICSRJNTNSA-N 0 0 474.675 4.530 20 0 JJADRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445889649 1066631754 /nfs/dbraw/zinc/63/17/54/1066631754.db2.gz CVLMEEIRSOQYSQ-KDOFPFPSSA-N 0 0 459.450 4.567 20 0 JJADRN O=C(c1c(O)cnc2c(Br)cccc21)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001445896721 1066631858 /nfs/dbraw/zinc/63/18/58/1066631858.db2.gz ZRMAFGZIUATMDR-UHFFFAOYSA-N 0 0 455.352 4.650 20 0 JJADRN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445889657 1066631885 /nfs/dbraw/zinc/63/18/85/1066631885.db2.gz CVLMEEIRSOQYSQ-RDTXWAMCSA-N 0 0 459.450 4.567 20 0 JJADRN CCC[C@@H](O)CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001456583266 1066632130 /nfs/dbraw/zinc/63/21/30/1066632130.db2.gz MWPSNDRZKXVSBT-OAQYLSRUSA-N 0 0 456.384 4.512 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001361275086 1066632173 /nfs/dbraw/zinc/63/21/73/1066632173.db2.gz NLLYJSKXQOQYQJ-SFHVURJKSA-N 0 0 482.654 4.888 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@H](Nc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001445902612 1066632459 /nfs/dbraw/zinc/63/24/59/1066632459.db2.gz QDKZYXYUECILHA-JXALWOEJSA-N 0 0 457.977 4.880 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979576 1066632501 /nfs/dbraw/zinc/63/25/01/1066632501.db2.gz DXPLVHCWSXSNOB-UYAOXDASSA-N 0 0 474.675 4.530 20 0 JJADRN NC(=O)N[C@@H](CC(=O)N1CCC[C@@H](Nc2ccccc2)C1)c1cccc(Oc2ccccc2)c1 ZINC001445898686 1066632507 /nfs/dbraw/zinc/63/25/07/1066632507.db2.gz DRZMYSLEHQXERR-RDGATRHJSA-N 0 0 458.562 4.682 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3[C@H]4C[C@H]4CN3C(=O)OC(C)(C)C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361275450 1066632744 /nfs/dbraw/zinc/63/27/44/1066632744.db2.gz WCDPFDBXZGVELA-OFOOFNNBSA-N 0 0 483.531 4.513 20 0 JJADRN COCCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)c(=O)cc1C ZINC001445907083 1066633108 /nfs/dbraw/zinc/63/31/08/1066633108.db2.gz IXORJUALSNHFSA-UHFFFAOYSA-N 0 0 459.468 4.686 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361276273 1066633602 /nfs/dbraw/zinc/63/36/02/1066633602.db2.gz ACZATNPHUCGJHH-JXFKEZNVSA-N 0 0 476.547 4.991 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361276275 1066633640 /nfs/dbraw/zinc/63/36/40/1066633640.db2.gz ACZATNPHUCGJHH-OXQOHEQNSA-N 0 0 476.547 4.991 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001445913901 1066634277 /nfs/dbraw/zinc/63/42/77/1066634277.db2.gz VSVSRUMZXMHDMY-UHFFFAOYSA-N 0 0 456.258 4.607 20 0 JJADRN Cc1cccc([C@H](O)CNC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001445913335 1066634344 /nfs/dbraw/zinc/63/43/44/1066634344.db2.gz UZYRAWYGZDMNBB-IFMALSPDSA-N 0 0 458.327 4.867 20 0 JJADRN Cc1cccc([C@H](O)CNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001445913339 1066634356 /nfs/dbraw/zinc/63/43/56/1066634356.db2.gz UZYRAWYGZDMNBB-IRLDBZIGSA-N 0 0 458.327 4.867 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1c(C)oc2ccc(OC)cc21 ZINC001445912942 1066634364 /nfs/dbraw/zinc/63/43/64/1066634364.db2.gz ULKQUOIQSBOYSW-UHFFFAOYSA-N 0 0 456.442 4.727 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001445914774 1066634421 /nfs/dbraw/zinc/63/44/21/1066634421.db2.gz ZTLYCLZVGDSBON-UHFFFAOYSA-N 0 0 458.436 4.766 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCc3ccc(O)c(Br)c3)c3c(C)noc3n2)c(C)o1 ZINC001445914684 1066634436 /nfs/dbraw/zinc/63/44/36/1066634436.db2.gz YLVWBYQEIASYHI-UHFFFAOYSA-N 0 0 456.296 4.806 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CC[C@H](CCNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001456588374 1066634415 /nfs/dbraw/zinc/63/44/15/1066634415.db2.gz ADFLYMXLVFBCJV-KRWDZBQOSA-N 0 0 459.612 4.976 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)NCCCF)cs1 ZINC001445918105 1066635058 /nfs/dbraw/zinc/63/50/58/1066635058.db2.gz HZVUSXJJCQEEMT-HNNXBMFYSA-N 0 0 453.539 4.832 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001445920572 1066635658 /nfs/dbraw/zinc/63/56/58/1066635658.db2.gz AAYWAKIIFMLSBH-DNQXCXABSA-N 0 0 452.595 4.847 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)s1 ZINC001445920248 1066635680 /nfs/dbraw/zinc/63/56/80/1066635680.db2.gz BDXLHLXSGYLQJI-UHFFFAOYSA-N 0 0 454.518 4.805 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001361278540 1066635952 /nfs/dbraw/zinc/63/59/52/1066635952.db2.gz ZYIGNVYEEXPFCD-UHFFFAOYSA-N 0 0 453.631 4.986 20 0 JJADRN Cc1ccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(CC(C)C)C(C)C)s1 ZINC001361278389 1066636120 /nfs/dbraw/zinc/63/61/20/1066636120.db2.gz VTSYJALNDRUVFZ-UHFFFAOYSA-N 0 0 460.673 4.527 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929529 1066636256 /nfs/dbraw/zinc/63/62/56/1066636256.db2.gz YERZBSIHDVSLRV-SJLPKXTDSA-N 0 0 453.501 4.617 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001456592829 1066636229 /nfs/dbraw/zinc/63/62/29/1066636229.db2.gz NNMGJYAFDLXGPY-UHFFFAOYSA-N 0 0 456.571 4.644 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1OCC ZINC001456594061 1066636620 /nfs/dbraw/zinc/63/66/20/1066636620.db2.gz KKZKHELFBFTJLR-MRXNPFEDSA-N 0 0 454.995 4.904 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1S(=O)(=O)NC1CC1 ZINC001456595867 1066636737 /nfs/dbraw/zinc/63/67/37/1066636737.db2.gz UZDJZKNTJCFQDG-UHFFFAOYSA-N 0 0 457.939 4.529 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)c1C ZINC001445930990 1066636847 /nfs/dbraw/zinc/63/68/47/1066636847.db2.gz JINYPIVJXGLGSD-SANMLTNESA-N 0 0 455.558 4.874 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC001361280142 1066637399 /nfs/dbraw/zinc/63/73/99/1066637399.db2.gz XDTUFTHBBNERTL-NVQXNPDNSA-N 0 0 456.586 4.670 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nccs1)Oc1ccccc1F ZINC001545979949 1066637461 /nfs/dbraw/zinc/63/74/61/1066637461.db2.gz LKHXMSLLYHFYLN-KRWDZBQOSA-N 0 0 452.559 4.738 20 0 JJADRN CC[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545979910 1066637529 /nfs/dbraw/zinc/63/75/29/1066637529.db2.gz KRBNGHZLLSYXNB-QGZVFWFLSA-N 0 0 495.628 4.524 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cccc(CNc3ccncn3)c2)c1 ZINC001445936619 1066637555 /nfs/dbraw/zinc/63/75/55/1066637555.db2.gz QYRZLZUGZSEITM-SANMLTNESA-N 0 0 452.558 4.773 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1c(F)cccc1F ZINC001456598809 1066638012 /nfs/dbraw/zinc/63/80/12/1066638012.db2.gz XSGVEYDHVSBDEM-RPWUZVMVSA-N 0 0 452.501 4.606 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545980001 1066638178 /nfs/dbraw/zinc/63/81/78/1066638178.db2.gz MEWKBAGGINOCSI-IBGZPJMESA-N 0 0 464.570 4.670 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001361280831 1066638122 /nfs/dbraw/zinc/63/81/22/1066638122.db2.gz PNHOEHLDWWBJIC-ORFBVSJDSA-N 0 0 471.621 4.934 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)s1 ZINC001361281118 1066638802 /nfs/dbraw/zinc/63/88/02/1066638802.db2.gz WQQFDVLFZJHHCR-UHFFFAOYSA-N 0 0 479.419 4.864 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(C)Cc2nc([C@H](C)OCC(C)C)no2)c(C)c1 ZINC001361281019 1066638845 /nfs/dbraw/zinc/63/88/45/1066638845.db2.gz VGEAEACHDZZIIA-IBGZPJMESA-N 0 0 452.603 4.964 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC001361281438 1066639306 /nfs/dbraw/zinc/63/93/06/1066639306.db2.gz FCIPNFDGYPLKCK-SFHVURJKSA-N 0 0 463.479 4.718 20 0 JJADRN CC[C@@]1(C(=O)N2CCc3c(F)cc(Br)cc3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445951656 1066639426 /nfs/dbraw/zinc/63/94/26/1066639426.db2.gz NAFYXXGHUADADL-OAQYLSRUSA-N 0 0 455.368 4.510 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001361282033 1066640080 /nfs/dbraw/zinc/64/00/80/1066640080.db2.gz NIMJRYCCOMBLLG-IEBWSBKVSA-N 0 0 489.686 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001445956791 1066640142 /nfs/dbraw/zinc/64/01/42/1066640142.db2.gz ZLHFBYAWVZPWAO-AWEZNQCLSA-N 0 0 455.368 4.510 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@H]2CCCO2)c(F)c1 ZINC001361282634 1066640849 /nfs/dbraw/zinc/64/08/49/1066640849.db2.gz VBFZFEIHNUHLDW-OAQYLSRUSA-N 0 0 487.620 4.504 20 0 JJADRN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001456605038 1066640857 /nfs/dbraw/zinc/64/08/57/1066640857.db2.gz WEBSAPZRVMRHMH-UHFFFAOYSA-N 0 0 457.354 4.634 20 0 JJADRN COc1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)sc1Br ZINC001445969559 1066641065 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JHWJQFZMGOEXBS-UHFFFAOYSA-N 0 0 452.551 4.825 20 0 JJADRN CN(CCOC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001445995844 1066642536 /nfs/dbraw/zinc/64/25/36/1066642536.db2.gz FGQNLZLGWBFDFL-DEOSSOPVSA-N 0 0 450.579 4.673 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001445995254 1066642556 /nfs/dbraw/zinc/64/25/56/1066642556.db2.gz AWCVOFAQAIKCBZ-MRXNPFEDSA-N 0 0 458.967 4.550 20 0 JJADRN Cc1c(C(=O)NCCCOc2ccc3ccccc3c2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001445996128 1066643050 /nfs/dbraw/zinc/64/30/50/1066643050.db2.gz JIPRHWLRABXTSD-UHFFFAOYSA-N 0 0 451.567 4.710 20 0 JJADRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456612692 1066643698 /nfs/dbraw/zinc/64/36/98/1066643698.db2.gz BMKNGFKJNWQPEF-HNNXBMFYSA-N 0 0 450.576 4.606 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC2CCC(C)(c3ccccc3)CC2)cc1OC ZINC001446001387 1066644014 /nfs/dbraw/zinc/64/40/14/1066644014.db2.gz OSJXPBOKWJEGFL-SQKYLSFVSA-N 0 0 450.579 4.929 20 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Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)CC3CCCCC3)CC2)c(C)c1 ZINC001361286516 1066645102 /nfs/dbraw/zinc/64/51/02/1066645102.db2.gz RXTWFADLYHRCSY-UHFFFAOYSA-N 0 0 451.659 4.761 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N(C[C@H]2CCOC2)C2CC2)c(OCC(F)(F)F)c1 ZINC001361286559 1066645111 /nfs/dbraw/zinc/64/51/11/1066645111.db2.gz UCTATWSXQNUMIM-GOSISDBHSA-N 0 0 466.548 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)COc3cccc(Cl)c3)CC2)CC1 ZINC001456617203 1066645587 /nfs/dbraw/zinc/64/55/87/1066645587.db2.gz GLUUIRACDIKYIZ-GOSISDBHSA-N 0 0 451.007 4.995 20 0 JJADRN CNc1cc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc(Cl)n1 ZINC001456617314 1066645748 /nfs/dbraw/zinc/64/57/48/1066645748.db2.gz HAORKMUOAZSUEQ-INIZCTEOSA-N 0 0 451.011 4.666 20 0 JJADRN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001446013960 1066645618 /nfs/dbraw/zinc/64/56/18/1066645618.db2.gz MRUFPPWDHDVQNF-GUYCJALGSA-N 0 0 452.338 4.561 20 0 JJADRN 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CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)CC1 ZINC001456620004 1066647012 /nfs/dbraw/zinc/64/70/12/1066647012.db2.gz OASZCAGNIFTGQS-GBXCKJPGSA-N 0 0 456.627 4.966 20 0 JJADRN O=C(c1ccc(N2CCCCCC2)cc1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001456620070 1066647128 /nfs/dbraw/zinc/64/71/28/1066647128.db2.gz WGWZHGIZJHIUCM-DEOSSOPVSA-N 0 0 457.412 4.953 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546083497 1066647731 /nfs/dbraw/zinc/64/77/31/1066647731.db2.gz OIRJSGPJPZWEDF-OSPHWJPCSA-N 0 0 471.989 4.529 20 0 JJADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001456621083 1066647760 /nfs/dbraw/zinc/64/77/60/1066647760.db2.gz CDTCDWHKCIYSQV-KRWDZBQOSA-N 0 0 458.480 4.751 20 0 JJADRN CC[C@H]1CCCCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001456622715 1066648353 /nfs/dbraw/zinc/64/83/53/1066648353.db2.gz AUSZNZXVYPPGRD-IBGZPJMESA-N 0 0 454.596 4.772 20 0 JJADRN O=C(NC[C@@H](CO)c1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001446030657 1066648551 /nfs/dbraw/zinc/64/85/51/1066648551.db2.gz HQPHKBRFRHMVNT-KRWDZBQOSA-N 0 0 458.389 4.954 20 0 JJADRN CC[C@](C)(NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1nccs1 ZINC001456624162 1066648994 /nfs/dbraw/zinc/64/89/94/1066648994.db2.gz LNEYWEZAIMOLEH-IBGZPJMESA-N 0 0 450.358 4.836 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001492598885 1066649230 /nfs/dbraw/zinc/64/92/30/1066649230.db2.gz QUIJFCHBQJVSPU-XWVZOOPGSA-N 0 0 470.658 4.834 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccsc1)NC(=O)OC(C)(C)C ZINC001545980507 1066649301 /nfs/dbraw/zinc/64/93/01/1066649301.db2.gz VQOWMTUNJWMQGJ-GOSISDBHSA-N 0 0 456.616 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)C1 ZINC001446036472 1066649308 /nfs/dbraw/zinc/64/93/08/1066649308.db2.gz UFEYMAXFNCJFNX-PGTSUSQTSA-N 0 0 450.579 4.985 20 0 JJADRN CC[C@]1(C(=O)N2CC(Cc3ccc(Br)cc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001456625255 1066649636 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O=C(c1cccn2c(I)cnc12)N1CCC[C@@H]1CCC1CCCCC1 ZINC001446101124 1066660174 /nfs/dbraw/zinc/66/01/74/1066660174.db2.gz BDDBJTSHVIUNLH-MRXNPFEDSA-N 0 0 451.352 4.904 20 0 JJADRN Cc1ccccc1[C@H]1C[C@H](n2c(C(C)C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001492603862 1066660081 /nfs/dbraw/zinc/66/00/81/1066660081.db2.gz YPHUGGAWWLNZGS-ACRUOGEOSA-N 0 0 469.630 4.559 20 0 JJADRN Cc1cccnc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001492603722 1066660132 /nfs/dbraw/zinc/66/01/32/1066660132.db2.gz VPSMLIPQQXWSKH-WOJBJXKFSA-N 0 0 497.043 4.532 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492604066 1066660203 /nfs/dbraw/zinc/66/02/03/1066660203.db2.gz FQMFZKLWUJHIQH-FDFHNCONSA-N 0 0 483.657 4.919 20 0 JJADRN O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001456657930 1066660786 /nfs/dbraw/zinc/66/07/86/1066660786.db2.gz HUSLOBUONLFQAR-LJQANCHMSA-N 0 0 456.970 4.665 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001456657307 1066660838 /nfs/dbraw/zinc/66/08/38/1066660838.db2.gz QNJAVBQMWVUPLT-HARLFGEKSA-N 0 0 450.645 4.952 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)n2)cc1Cl ZINC001446104448 1066660828 /nfs/dbraw/zinc/66/08/28/1066660828.db2.gz ZJOWDQJZDBJIKD-LBPRGKRZSA-N 0 0 451.976 4.914 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@@H]1c1ccccc1OC ZINC001446107703 1066660897 /nfs/dbraw/zinc/66/08/97/1066660897.db2.gz DTKCKXFLNZVHKX-DFBJGRDBSA-N 0 0 456.533 4.638 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC001456659025 1066661181 /nfs/dbraw/zinc/66/11/81/1066661181.db2.gz IXJUWAYKNVLJFG-UHFFFAOYSA-N 0 0 454.979 4.627 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)cc1Oc1ccncc1 ZINC001456659083 1066661230 /nfs/dbraw/zinc/66/12/30/1066661230.db2.gz CAKZXFFCSRHCEB-UHFFFAOYSA-N 0 0 453.564 4.820 20 0 JJADRN 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Cc1cccnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001492605225 1066662589 /nfs/dbraw/zinc/66/25/89/1066662589.db2.gz UINAGFLXNZUBKV-MRXNPFEDSA-N 0 0 451.372 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC001446127724 1066662663 /nfs/dbraw/zinc/66/26/63/1066662663.db2.gz RWORJZXREGPBCT-IBGZPJMESA-N 0 0 453.520 4.526 20 0 JJADRN COC1(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001456665860 1066663113 /nfs/dbraw/zinc/66/31/13/1066663113.db2.gz VPDNBNCHZZMNMT-UHFFFAOYSA-N 0 0 454.567 4.929 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC ZINC001456666997 1066663172 /nfs/dbraw/zinc/66/31/72/1066663172.db2.gz WLPSATKYDQWVJA-UHFFFAOYSA-N 0 0 457.017 4.790 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1Cl ZINC001446130180 1066663282 /nfs/dbraw/zinc/66/32/82/1066663282.db2.gz YDPCQFGRRMXNKD-UHFFFAOYSA-N 0 0 457.968 4.789 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H](CO)CC(C)(C)C ZINC001545981318 1066663408 /nfs/dbraw/zinc/66/34/08/1066663408.db2.gz PGTBSYKAIWXXDV-HOCLYGCPSA-N 0 0 459.637 4.599 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)c3ccc(CC)cc3)cc2)CC1 ZINC001456671995 1066663666 /nfs/dbraw/zinc/66/36/66/1066663666.db2.gz XDVIKYKQHLNIOM-UHFFFAOYSA-N 0 0 450.579 4.581 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)o2)cc1 ZINC001456671804 1066663778 /nfs/dbraw/zinc/66/37/78/1066663778.db2.gz VPECPSWDCPZJMG-UHFFFAOYSA-N 0 0 454.548 4.787 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001446138616 1066664030 /nfs/dbraw/zinc/66/40/30/1066664030.db2.gz KEMOLUVUYJFQGT-UHFFFAOYSA-N 0 0 459.453 4.757 20 0 JJADRN CC(C)[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1cnn(C)c1 ZINC001456674153 1066664488 /nfs/dbraw/zinc/66/44/88/1066664488.db2.gz URKDPTSXXBGVNR-DEOSSOPVSA-N 0 0 451.958 4.516 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492606528 1066664544 /nfs/dbraw/zinc/66/45/44/1066664544.db2.gz JTGOVSGPDYERAV-QHCPKHFHSA-N 0 0 463.626 4.912 20 0 JJADRN CCc1c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cnn1-c1ccccn1 ZINC001446141768 1066664722 /nfs/dbraw/zinc/66/47/22/1066664722.db2.gz FYYGRHFRTQTNAP-UHFFFAOYSA-N 0 0 455.603 4.519 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4c3cccc4Cl)cc2)cc1 ZINC001446140001 1066664735 /nfs/dbraw/zinc/66/47/35/1066664735.db2.gz OQPMLSXWOXBQBG-UHFFFAOYSA-N 0 0 456.951 4.742 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3nc(C)cs3)cc2)C1 ZINC001456677835 1066665085 /nfs/dbraw/zinc/66/50/85/1066665085.db2.gz YAYNMZLSWADHHU-GOSISDBHSA-N 0 0 450.564 4.695 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC(F)F ZINC001456675979 1066665110 /nfs/dbraw/zinc/66/51/10/1066665110.db2.gz WSXRLVWHYCPQNL-GJZGRUSLSA-N 0 0 452.523 4.515 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001446142860 1066665323 /nfs/dbraw/zinc/66/53/23/1066665323.db2.gz QMKBSOWGYLHOGI-KRWDZBQOSA-N 0 0 457.546 4.730 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492607108 1066665896 /nfs/dbraw/zinc/66/58/96/1066665896.db2.gz FMBNHBSWRKQNCF-FPOVZHCZSA-N 0 0 468.646 4.974 20 0 JJADRN CCN(C(=O)c1csc(-c2ccccn2)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001456683562 1066665917 /nfs/dbraw/zinc/66/59/17/1066665917.db2.gz DQLDUROOXMAOAS-UHFFFAOYSA-N 0 0 450.612 4.558 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446145059 1066665898 /nfs/dbraw/zinc/66/58/98/1066665898.db2.gz SWOPKFOLZVFHEM-ROUUACIJSA-N 0 0 455.640 4.612 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC001446144721 1066665929 /nfs/dbraw/zinc/66/59/29/1066665929.db2.gz JXWNPZRILRHZBW-QFYYESIMSA-N 0 0 459.356 4.811 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)c2)c1 ZINC001446145207 1066666013 /nfs/dbraw/zinc/66/60/13/1066666013.db2.gz UMPIJSSLQYBINF-OAQYLSRUSA-N 0 0 456.608 4.716 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC001446144725 1066666051 /nfs/dbraw/zinc/66/60/51/1066666051.db2.gz JXWNPZRILRHZBW-QLJPJBMISA-N 0 0 459.356 4.811 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001446144562 1066666055 /nfs/dbraw/zinc/66/60/55/1066666055.db2.gz ZCIPSDYXOILHRG-UHFFFAOYSA-N 0 0 453.470 4.948 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)c2ccc(Cl)cc21 ZINC001456686202 1066666413 /nfs/dbraw/zinc/66/64/13/1066666413.db2.gz CEMPODSALJOMHI-HNNXBMFYSA-N 0 0 453.901 4.889 20 0 JJADRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001456687980 1066666465 /nfs/dbraw/zinc/66/64/65/1066666465.db2.gz AMSRUPUAQRROSA-HSZRJFAPSA-N 0 0 455.352 4.845 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1OC ZINC001446146123 1066666540 /nfs/dbraw/zinc/66/65/40/1066666540.db2.gz PGUNHRHCLPOWGG-OAHLLOKOSA-N 0 0 450.329 4.717 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC001456687102 1066666498 /nfs/dbraw/zinc/66/64/98/1066666498.db2.gz MVXNUDQSDAPNKZ-UHFFFAOYSA-N 0 0 457.621 4.645 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3CCO[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC001492607693 1066667233 /nfs/dbraw/zinc/66/72/33/1066667233.db2.gz DWZIMHJPBKKQPI-FYYLOGMGSA-N 0 0 455.647 4.823 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2c(cccc2Br)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001456688844 1066667416 /nfs/dbraw/zinc/66/74/16/1066667416.db2.gz QUWHCMRUXBLROK-INIZCTEOSA-N 0 0 455.230 4.593 20 0 JJADRN CCC(CC)(C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)c1ccc(Cl)cc1 ZINC001446154551 1066667493 /nfs/dbraw/zinc/66/74/93/1066667493.db2.gz NQPZUGYMJOOTPQ-UHFFFAOYSA-N 0 0 457.014 4.764 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cccc(Br)c2n1 ZINC001446159320 1066667574 /nfs/dbraw/zinc/66/75/74/1066667574.db2.gz RUHBGJKRBJDOGS-CQSZACIVSA-N 0 0 454.390 4.582 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C4CCC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001492607335 1066667778 /nfs/dbraw/zinc/66/77/78/1066667778.db2.gz MLPZIJWTWTWKQB-IBGZPJMESA-N 0 0 484.645 4.552 20 0 JJADRN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)Cc2cccs2)C1 ZINC001492607962 1066667874 /nfs/dbraw/zinc/66/78/74/1066667874.db2.gz LUBGHFQPGJIZDN-GOSISDBHSA-N 0 0 470.042 4.958 20 0 JJADRN C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001446167153 1066668089 /nfs/dbraw/zinc/66/80/89/1066668089.db2.gz RXVHTQCYUFUROQ-LLVKDONJSA-N 0 0 453.335 4.553 20 0 JJADRN COc1cc(C(=O)CCC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc(OC)c1OC ZINC001446167956 1066668274 /nfs/dbraw/zinc/66/82/74/1066668274.db2.gz XIQVZQUDUSZNOQ-MRXNPFEDSA-N 0 0 457.420 4.624 20 0 JJADRN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 ZINC001492608247 1066668485 /nfs/dbraw/zinc/66/84/85/1066668485.db2.gz WCYKKFLYLZDBCL-IRLDBZIGSA-N 0 0 486.060 4.859 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@H](C)C3)CC2)c1 ZINC001492608039 1066668535 /nfs/dbraw/zinc/66/85/35/1066668535.db2.gz ORBQCRITKXGBRM-NHCUHLMSSA-N 0 0 455.647 4.823 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1c(C)cccc1C)C(C)(C)C ZINC001446171156 1066668756 /nfs/dbraw/zinc/66/87/56/1066668756.db2.gz WKZBYBJAOVCSPM-RTBURBONSA-N 0 0 452.661 4.860 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001446175619 1066668766 /nfs/dbraw/zinc/66/87/66/1066668766.db2.gz IRXUNVPJUVBVLG-FQEVSTJZSA-N 0 0 459.386 4.804 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)NC(=O)OC(C)(C)C ZINC001545982183 1066668807 /nfs/dbraw/zinc/66/88/07/1066668807.db2.gz IIDRNAWKCVIQHJ-GOSISDBHSA-N 0 0 491.583 4.785 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Oc4cc(C)ccn4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492608338 1066669057 /nfs/dbraw/zinc/66/90/57/1066669057.db2.gz ZQBITMPHGWSHCQ-UHFFFAOYSA-N 0 0 494.587 4.974 20 0 JJADRN CCCN(C(=O)c1ccc(OCC(=O)OC)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456697228 1066669528 /nfs/dbraw/zinc/66/95/28/1066669528.db2.gz DCJOISDJOFVNNW-XMMPIXPASA-N 0 0 454.473 4.553 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)cc1 ZINC001446183070 1066669638 /nfs/dbraw/zinc/66/96/38/1066669638.db2.gz NEHNQJXTRFMHPJ-GOSISDBHSA-N 0 0 452.624 4.893 20 0 JJADRN CC1=CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001492608940 1066669819 /nfs/dbraw/zinc/66/98/19/1066669819.db2.gz KADAJCWNQFOZPK-UHFFFAOYSA-N 0 0 485.501 4.977 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001456701034 1066670083 /nfs/dbraw/zinc/67/00/83/1066670083.db2.gz GKAQABQYFHTLQQ-NRFANRHFSA-N 0 0 457.409 4.825 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(NCCc2ccccn2)cc1 ZINC001446185177 1066670550 /nfs/dbraw/zinc/67/05/50/1066670550.db2.gz IGNYXKBTOYIFRL-UHFFFAOYSA-N 0 0 450.542 4.919 20 0 JJADRN CCCN(C(=O)c1ccnc(O[C@H]2CCOC2)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456702470 1066670810 /nfs/dbraw/zinc/67/08/10/1066670810.db2.gz PQWVFUPBEHBXTJ-RDPSFJRHSA-N 0 0 453.489 4.564 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001446189056 1066671245 /nfs/dbraw/zinc/67/12/45/1066671245.db2.gz RDCJLFFJFOTSKJ-GCJKJVERSA-N 0 0 451.567 4.591 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001446189058 1066671717 /nfs/dbraw/zinc/67/17/17/1066671717.db2.gz RDCJLFFJFOTSKJ-XMSQKQJNSA-N 0 0 451.567 4.591 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)c1ccc3c(c1)NC(=O)CCS3)C2 ZINC001456708720 1066672106 /nfs/dbraw/zinc/67/21/06/1066672106.db2.gz ADXHULXEWOPTFQ-UHFFFAOYSA-N 0 0 453.564 4.666 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001446191716 1066672655 /nfs/dbraw/zinc/67/26/55/1066672655.db2.gz VARBLXXMQJVIHH-FQEVSTJZSA-N 0 0 453.539 4.648 20 0 JJADRN COc1ccccc1COC1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001446191954 1066672719 /nfs/dbraw/zinc/67/27/19/1066672719.db2.gz USJKXHRGRAYFAC-UHFFFAOYSA-N 0 0 454.567 4.645 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001446191724 1066672747 /nfs/dbraw/zinc/67/27/47/1066672747.db2.gz VARBLXXMQJVIHH-HXUWFJFHSA-N 0 0 453.539 4.648 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC001456715162 1066672936 /nfs/dbraw/zinc/67/29/36/1066672936.db2.gz GBJVASHDCIKLAT-FQEVSTJZSA-N 0 0 452.979 4.781 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC001456715164 1066672957 /nfs/dbraw/zinc/67/29/57/1066672957.db2.gz GBJVASHDCIKLAT-HXUWFJFHSA-N 0 0 452.979 4.781 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)ccc1Cl ZINC001456715186 1066672985 /nfs/dbraw/zinc/67/29/85/1066672985.db2.gz GELXRFYUYZUIIY-GOSISDBHSA-N 0 0 459.395 4.693 20 0 JJADRN CC[C@@H]1CCCc2sc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)nc21 ZINC001456716773 1066673028 /nfs/dbraw/zinc/67/30/28/1066673028.db2.gz AJCJJIKHENFWHE-QGZVFWFLSA-N 0 0 455.605 4.704 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2OC(C)C)C1 ZINC001492611903 1066674214 /nfs/dbraw/zinc/67/42/14/1066674214.db2.gz OLMFXSLYVKOJHR-JOCHJYFZSA-N 0 0 497.640 4.578 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2OC(C)C)C1 ZINC001492611904 1066674255 /nfs/dbraw/zinc/67/42/55/1066674255.db2.gz OLMFXSLYVKOJHR-QFIPXVFZSA-N 0 0 497.640 4.578 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC=C(C)C3)n2CCCn2cc(Br)cn2)c1 ZINC001492613131 1066674792 /nfs/dbraw/zinc/67/47/92/1066674792.db2.gz HVSULZTXAVKSMP-UHFFFAOYSA-N 0 0 485.430 4.680 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCO[C@@H](C)C3)cc2)c1C ZINC001446201249 1066674999 /nfs/dbraw/zinc/67/49/99/1066674999.db2.gz YJSMBYAIXIIQIQ-HTAPYJJXSA-N 0 0 458.624 4.699 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1 ZINC001456731217 1066675887 /nfs/dbraw/zinc/67/58/87/1066675887.db2.gz ZBZSHCBLPZZENA-RBZQAINGSA-N 0 0 456.627 4.723 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001446236814 1066676399 /nfs/dbraw/zinc/67/63/99/1066676399.db2.gz GLOMAZOVGXLKAP-ZBFHGGJFSA-N 0 0 452.477 4.852 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccncc2Cl)C1 ZINC001492613694 1066677061 /nfs/dbraw/zinc/67/70/61/1066677061.db2.gz FNALIRQMRRRSML-IBGZPJMESA-N 0 0 458.994 4.603 20 0 JJADRN CCOc1ccccc1N(C)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001446239343 1066677269 /nfs/dbraw/zinc/67/72/69/1066677269.db2.gz VNKFPZPBASMRCT-UHFFFAOYSA-N 0 0 457.621 4.961 20 0 JJADRN CN(CCC1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1)C(=O)OC(C)(C)C ZINC001446239963 1066677341 /nfs/dbraw/zinc/67/73/41/1066677341.db2.gz ABVGPCZLHGYRRC-UHFFFAOYSA-N 0 0 452.555 4.932 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC001456735225 1066677484 /nfs/dbraw/zinc/67/74/84/1066677484.db2.gz RLXHPBONMYNPDN-QGZVFWFLSA-N 0 0 456.539 4.825 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@@](C)=O)CCC2)C1 ZINC001492614139 1066677598 /nfs/dbraw/zinc/67/75/98/1066677598.db2.gz VOGOQCFRDLMJJU-SSEXGKCCSA-N 0 0 469.438 4.622 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446242488 1066678016 /nfs/dbraw/zinc/67/80/16/1066678016.db2.gz YZBHBIQUSXRNAH-RBBKRZOGSA-N 0 0 459.512 4.616 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001446246410 1066679639 /nfs/dbraw/zinc/67/96/39/1066679639.db2.gz SDRTZXRDHHTMLU-NXHRZFHOSA-N 0 0 454.514 4.602 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492614731 1066679738 /nfs/dbraw/zinc/67/97/38/1066679738.db2.gz NXIKFGVFZTUGJD-DFBJGRDBSA-N 0 0 454.546 4.831 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC001456746576 1066680294 /nfs/dbraw/zinc/68/02/94/1066680294.db2.gz KRJPDXGMXGYHPC-LJQANCHMSA-N 0 0 452.580 4.634 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001456746928 1066680571 /nfs/dbraw/zinc/68/05/71/1066680571.db2.gz LJYXKNQGHDUKIT-LXFBAYGMSA-N 0 0 457.618 4.732 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492615270 1066680525 /nfs/dbraw/zinc/68/05/25/1066680525.db2.gz HLMFXTZAXYKMNX-UHFFFAOYSA-N 0 0 482.448 4.792 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545982863 1066681187 /nfs/dbraw/zinc/68/11/87/1066681187.db2.gz SFWJMLGOHLSGSA-FCHUYYIVSA-N 0 0 487.620 4.548 20 0 JJADRN CO[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1Br ZINC001456752507 1066681307 /nfs/dbraw/zinc/68/13/07/1066681307.db2.gz WOTDKLKGJPWYNA-QGZVFWFLSA-N 0 0 453.174 4.747 20 0 JJADRN CC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001492615460 1066681273 /nfs/dbraw/zinc/68/12/73/1066681273.db2.gz NSGNMNBVZBZNCD-QHCPKHFHSA-N 0 0 493.421 4.619 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001492615587 1066681580 /nfs/dbraw/zinc/68/15/80/1066681580.db2.gz RQRRPBHOWFAXEG-UHFFFAOYSA-N 0 0 497.319 4.685 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](COCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545983024 1066681755 /nfs/dbraw/zinc/68/17/55/1066681755.db2.gz VOGGLACDABTGTL-IRLDBZIGSA-N 0 0 469.630 4.502 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC001456758812 1066681901 /nfs/dbraw/zinc/68/19/01/1066681901.db2.gz FSQKXBLULMIKJA-UHFFFAOYSA-N 0 0 458.284 4.764 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001446271237 1066681893 /nfs/dbraw/zinc/68/18/93/1066681893.db2.gz GNMPDFCUYHHICG-MRXNPFEDSA-N 0 0 457.328 4.612 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001492615966 1066683107 /nfs/dbraw/zinc/68/31/07/1066683107.db2.gz GHRUJQYIZRYMCO-NRFANRHFSA-N 0 0 477.403 4.972 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001492617386 1066684353 /nfs/dbraw/zinc/68/43/53/1066684353.db2.gz FELQFLMOEBEFKZ-SFTDATJTSA-N 0 0 473.662 4.754 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(C)CC2)s1 ZINC001492617486 1066684460 /nfs/dbraw/zinc/68/44/60/1066684460.db2.gz HRRPPNFEXCTPMR-UHFFFAOYSA-N 0 0 457.644 4.967 20 0 JJADRN Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)nn1-c1ccc(Cl)cc1Cl ZINC001456768991 1066684666 /nfs/dbraw/zinc/68/46/66/1066684666.db2.gz ITHJMOLORIVBQQ-OAQYLSRUSA-N 0 0 457.361 4.755 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(Cl)cc2F)CC1 ZINC001492617738 1066685133 /nfs/dbraw/zinc/68/51/33/1066685133.db2.gz NRCVNUNLWIBQMK-FQEVSTJZSA-N 0 0 491.995 4.584 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2n[nH]c3ccc(OC)cc32)cc1Br ZINC001446280917 1066685270 /nfs/dbraw/zinc/68/52/70/1066685270.db2.gz MQAIUXNEJKCBKI-UHFFFAOYSA-N 0 0 453.134 4.911 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001446279506 1066685302 /nfs/dbraw/zinc/68/53/02/1066685302.db2.gz KPEDTIQCUUWQRD-HZPDHXFCSA-N 0 0 456.514 4.914 20 0 JJADRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001446279498 1066685391 /nfs/dbraw/zinc/68/53/91/1066685391.db2.gz KPEDTIQCUUWQRD-HOTGVXAUSA-N 0 0 456.514 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)cs1 ZINC001492618404 1066685952 /nfs/dbraw/zinc/68/59/52/1066685952.db2.gz HZFCCDDUPIMZTQ-UHFFFAOYSA-N 0 0 477.556 4.917 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC001492618489 1066686026 /nfs/dbraw/zinc/68/60/26/1066686026.db2.gz KXEYVMUPKAQIIM-UHFFFAOYSA-N 0 0 457.500 4.548 20 0 JJADRN CC1=CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492618904 1066686468 /nfs/dbraw/zinc/68/64/68/1066686468.db2.gz AZSUZFSLDWWTFB-NRFANRHFSA-N 0 0 453.631 4.865 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001456772522 1066686882 /nfs/dbraw/zinc/68/68/82/1066686882.db2.gz UBSAZKTZGFBXOJ-JOCHJYFZSA-N 0 0 452.913 4.936 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc(C)c3)CC2)cc1 ZINC001446298676 1066687530 /nfs/dbraw/zinc/68/75/30/1066687530.db2.gz XQZVXRBSMJQPJG-DEOSSOPVSA-N 0 0 452.620 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccnc(N3CCCCCC3)c2)c2ccccc21 ZINC001446298752 1066687673 /nfs/dbraw/zinc/68/76/73/1066687673.db2.gz JBEAOJJRMZXBIL-NRFANRHFSA-N 0 0 450.583 4.617 20 0 JJADRN Cc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)C2CC2)cc1C ZINC001456775868 1066688001 /nfs/dbraw/zinc/68/80/01/1066688001.db2.gz GZFMNLOIGPRVOX-KDURUIRLSA-N 0 0 454.636 4.775 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001446299505 1066688410 /nfs/dbraw/zinc/68/84/10/1066688410.db2.gz XHFOSSSYPKBDQW-CZUORRHYSA-N 0 0 457.384 4.529 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001492620124 1066689362 /nfs/dbraw/zinc/68/93/62/1066689362.db2.gz WPYHVBFYQVSFIZ-JLTOFOAXSA-N 0 0 452.496 4.958 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCCCn2cc(Br)cn2)CC1 ZINC001492620126 1066689452 /nfs/dbraw/zinc/68/94/52/1066689452.db2.gz WSRGPPODBHCQKZ-UHFFFAOYSA-N 0 0 489.393 4.592 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492620354 1066689816 /nfs/dbraw/zinc/68/98/16/1066689816.db2.gz CXOOAKVJJGIXRK-INIZCTEOSA-N 0 0 467.927 4.928 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3CCC(C)(C)O)C2)c1 ZINC001492620544 1066690712 /nfs/dbraw/zinc/69/07/12/1066690712.db2.gz HKASJBSXAFRNDU-UYAOXDASSA-N 0 0 473.021 4.579 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC001456792943 1066691592 /nfs/dbraw/zinc/69/15/92/1066691592.db2.gz YAERLAOQIFDJSN-CTNGQTDRSA-N 0 0 455.601 4.949 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001456793466 1066691604 /nfs/dbraw/zinc/69/16/04/1066691604.db2.gz BLBYWBZPOZGNMB-IBGZPJMESA-N 0 0 453.420 4.536 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C4CCCC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492621328 1066691976 /nfs/dbraw/zinc/69/19/76/1066691976.db2.gz XBHDVUWJAPFQIP-FGZHOGPDSA-N 0 0 485.677 4.831 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(F)F)C2)c1 ZINC001492621712 1066692705 /nfs/dbraw/zinc/69/27/05/1066692705.db2.gz HFZPOGLLJAWCKN-HXUWFJFHSA-N 0 0 458.557 4.866 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)c(Cl)c1 ZINC001456800788 1066693360 /nfs/dbraw/zinc/69/33/60/1066693360.db2.gz KVHBWMJVMXAONS-OAHLLOKOSA-N 0 0 453.341 4.501 20 0 JJADRN Cn1nc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)cc1NC(=O)OC(C)(C)C ZINC001456800286 1066693443 /nfs/dbraw/zinc/69/34/43/1066693443.db2.gz CCYUNYMWBCBWRE-UHFFFAOYSA-N 0 0 457.918 4.538 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001456802090 1066694462 /nfs/dbraw/zinc/69/44/62/1066694462.db2.gz NZBHDKVCHOAESO-LIOHBJMPSA-N 0 0 450.623 4.837 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOCC(C)C)C2)c1 ZINC001492622930 1066694730 /nfs/dbraw/zinc/69/47/30/1066694730.db2.gz VEJPNJMJNHCJIK-YTFSRNRJSA-N 0 0 472.678 4.606 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545984786 1066695087 /nfs/dbraw/zinc/69/50/87/1066695087.db2.gz PLDZJFPXHWLQSE-RTWAWAEBSA-N 0 0 461.651 4.634 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC001446349772 1066695094 /nfs/dbraw/zinc/69/50/94/1066695094.db2.gz NIVYEPPMJAEUPW-KRWDZBQOSA-N 0 0 451.658 4.966 20 0 JJADRN CC[C@H](C)Oc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001456803755 1066695186 /nfs/dbraw/zinc/69/51/86/1066695186.db2.gz QYZUCYQHIUVGQA-RBUKOAKNSA-N 0 0 458.986 4.578 20 0 JJADRN CC[C@@H](C)Oc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001456803760 1066695325 /nfs/dbraw/zinc/69/53/25/1066695325.db2.gz QYZUCYQHIUVGQA-RTBURBONSA-N 0 0 458.986 4.578 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCOc3ccccc3Cl)CC2)c1 ZINC001492623158 1066695521 /nfs/dbraw/zinc/69/55/21/1066695521.db2.gz XXMGVPDZNNJMFK-UHFFFAOYSA-N 0 0 457.022 4.730 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)c2ccccc21 ZINC001446355341 1066695569 /nfs/dbraw/zinc/69/55/69/1066695569.db2.gz AVCLIQNZJMJKJH-HXUWFJFHSA-N 0 0 455.624 4.686 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456804802 1066695774 /nfs/dbraw/zinc/69/57/74/1066695774.db2.gz ASMJCDGXEMNJSC-XZOQPEGZSA-N 0 0 450.579 4.922 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2cccc(C)c2)c1 ZINC001456804959 1066696624 /nfs/dbraw/zinc/69/66/24/1066696624.db2.gz BOFSDXKVKNGZSG-LJQANCHMSA-N 0 0 453.560 4.695 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCOC(C)(C)C)c1 ZINC001492624116 1066696714 /nfs/dbraw/zinc/69/67/14/1066696714.db2.gz QDBMDODJAAHMDA-SFHVURJKSA-N 0 0 461.010 4.528 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001492624565 1066696741 /nfs/dbraw/zinc/69/67/41/1066696741.db2.gz WMGPNDLMUOXOLT-IBGZPJMESA-N 0 0 470.593 4.546 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)c1 ZINC001492624657 1066697330 /nfs/dbraw/zinc/69/73/30/1066697330.db2.gz YGLQVGZZJQRWNT-INIZCTEOSA-N 0 0 466.483 4.541 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)c1 ZINC001492626466 1066697466 /nfs/dbraw/zinc/69/74/66/1066697466.db2.gz DBSSZWKURASZLU-NRFANRHFSA-N 0 0 466.630 4.579 20 0 JJADRN O=C(Nc1ccc(SC2CCCC2)cc1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC001446376349 1066697730 /nfs/dbraw/zinc/69/77/30/1066697730.db2.gz GXELFTCRASTYQM-UHFFFAOYSA-N 0 0 452.548 4.693 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456808969 1066697841 /nfs/dbraw/zinc/69/78/41/1066697841.db2.gz FJSZTFZCBBTTAD-WZONZLPQSA-N 0 0 450.579 4.706 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001456809099 1066697844 /nfs/dbraw/zinc/69/78/44/1066697844.db2.gz APRULTWGSRWOBB-NTKDMRAZSA-N 0 0 453.579 4.694 20 0 JJADRN Cc1cnn(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC001492626581 1066697972 /nfs/dbraw/zinc/69/79/72/1066697972.db2.gz QKNWXCOZSYPVBK-SIKLNZKXSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@H]2C)c1 ZINC001492628075 1066699149 /nfs/dbraw/zinc/69/91/49/1066699149.db2.gz VEXBRGDHOCGBBT-WOJBJXKFSA-N 0 0 468.671 4.690 20 0 JJADRN Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)ccc1-n1cncn1 ZINC001456815020 1066699148 /nfs/dbraw/zinc/69/91/48/1066699148.db2.gz DGNFUNDCLMGHEJ-UHFFFAOYSA-N 0 0 453.384 4.970 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC001456813021 1066699357 /nfs/dbraw/zinc/69/93/57/1066699357.db2.gz STAIJZOJZCATSP-UHFFFAOYSA-N 0 0 451.542 4.923 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnn(C(C)C)c1Br)c1ccc(C(C)(C)C)cc1 ZINC001456815675 1066699984 /nfs/dbraw/zinc/69/99/84/1066699984.db2.gz VKJQMOSWZGRBLR-QGZVFWFLSA-N 0 0 450.377 4.558 20 0 JJADRN CN1C[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c2ccccc2C1=O ZINC001456816780 1066700076 /nfs/dbraw/zinc/70/00/76/1066700076.db2.gz FVIFKVDGFNTXCO-NRFANRHFSA-N 0 0 455.396 4.637 20 0 JJADRN CCCCOCCN(C(=O)[C@@H]1CC(=O)N(C)c2ccccc21)c1ccc(Br)cc1 ZINC001456817376 1066700494 /nfs/dbraw/zinc/70/04/94/1066700494.db2.gz GKNHDXYACFHOHC-HXUWFJFHSA-N 0 0 459.384 4.749 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(COc3ccc(Cl)cc3)nnc1N(C)CCOC(C)(C)C)CCC2 ZINC001492628852 1066700866 /nfs/dbraw/zinc/70/08/66/1066700866.db2.gz ODZIWPHEUBUOEE-LJQANCHMSA-N 0 0 487.048 4.844 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(Cc2cccc(F)c2)C(C)C)c1 ZINC001492629290 1066700883 /nfs/dbraw/zinc/70/08/83/1066700883.db2.gz YMVUHQFSYJDBDO-DHIUTWEWSA-N 0 0 468.621 4.956 20 0 JJADRN O=C(NCCc1cc(Cl)ccc1Br)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001446390239 1066700980 /nfs/dbraw/zinc/70/09/80/1066700980.db2.gz IPOFHRIPGZDJHU-FQEVSTJZSA-N 0 0 453.783 4.955 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nnc(C)s2)CCO1 ZINC001546085093 1066701148 /nfs/dbraw/zinc/70/11/48/1066701148.db2.gz DUKGJRPUIWMVPM-IBGZPJMESA-N 0 0 497.850 4.575 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492629492 1066701397 /nfs/dbraw/zinc/70/13/97/1066701397.db2.gz CCGVIZCQMUVXMC-UYAOXDASSA-N 0 0 480.682 4.892 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001492629740 1066701822 /nfs/dbraw/zinc/70/18/22/1066701822.db2.gz HFFDCEPXHJJYFA-HYVNUMGLSA-N 0 0 487.651 4.518 20 0 JJADRN CC1(C)CC2(CC(NC(=O)c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)C2)CO1 ZINC001456823414 1066701855 /nfs/dbraw/zinc/70/18/55/1066701855.db2.gz DKYOZHDHMASSBY-UHFFFAOYSA-N 0 0 455.395 4.646 20 0 JJADRN O=C(NCCc1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446397169 1066701977 /nfs/dbraw/zinc/70/19/77/1066701977.db2.gz OEAKHJAAYPLPBO-UHFFFAOYSA-N 0 0 453.951 4.595 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)NCCc1cc(Cl)ccc1Br ZINC001446398943 1066702144 /nfs/dbraw/zinc/70/21/44/1066702144.db2.gz UGZKLBYEDYNKGC-UHFFFAOYSA-N 0 0 452.761 4.604 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456828288 1066702279 /nfs/dbraw/zinc/70/22/79/1066702279.db2.gz LEAAMNQLFJOZDK-GUDVDZBRSA-N 0 0 455.640 4.610 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ccccc2)CCO1 ZINC001546085119 1066702414 /nfs/dbraw/zinc/70/24/14/1066702414.db2.gz DZQSUCSZNSKNPD-AOMKIAJQSA-N 0 0 458.404 4.845 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCn2cccn2)s1 ZINC001492629909 1066702551 /nfs/dbraw/zinc/70/25/51/1066702551.db2.gz JTACZMWDADYCHU-SJLPKXTDSA-N 0 0 486.045 4.973 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545985379 1066702529 /nfs/dbraw/zinc/70/25/29/1066702529.db2.gz ZSNXMQAKXWCJRM-GGAORHGYSA-N 0 0 499.656 4.653 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC001545985640 1066702631 /nfs/dbraw/zinc/70/26/31/1066702631.db2.gz IVJXTJOYDUVFJS-UHFFFAOYSA-N 0 0 456.262 4.932 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)Nc2ccc(C(C)(C)C)nc2)cc1OC ZINC001456831146 1066703029 /nfs/dbraw/zinc/70/30/29/1066703029.db2.gz MKWYVXBYFIDXJN-UHFFFAOYSA-N 0 0 453.564 4.891 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c1)c1ccc(Br)o1 ZINC001446419585 1066703059 /nfs/dbraw/zinc/70/30/59/1066703059.db2.gz DYCHEWIRVYXAQE-UHFFFAOYSA-N 0 0 451.280 4.937 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630186 1066703424 /nfs/dbraw/zinc/70/34/24/1066703424.db2.gz PMNBWHPRLMECBA-IEBWSBKVSA-N 0 0 482.654 4.865 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001446421328 1066703624 /nfs/dbraw/zinc/70/36/24/1066703624.db2.gz FIVQXBRIDDPXEA-PBHICJAKSA-N 0 0 454.792 4.788 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(F)c2)CCO1 ZINC001546085191 1066704010 /nfs/dbraw/zinc/70/40/10/1066704010.db2.gz GMFOUGLMWMITQX-JOCHJYFZSA-N 0 0 476.394 4.813 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)c1 ZINC001446425779 1066704083 /nfs/dbraw/zinc/70/40/83/1066704083.db2.gz MDZGLWNJYHSCCA-UHFFFAOYSA-N 0 0 456.474 4.793 20 0 JJADRN Cc1c(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001446426256 1066704160 /nfs/dbraw/zinc/70/41/60/1066704160.db2.gz IYMXYFBKPMUOLD-UHFFFAOYSA-N 0 0 452.864 4.835 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)s1 ZINC001492630345 1066704591 /nfs/dbraw/zinc/70/45/91/1066704591.db2.gz SDXVJMCNKQDUKR-AZUAARDMSA-N 0 0 466.655 4.563 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2SCc2cscn2)CC1 ZINC001446428421 1066704603 /nfs/dbraw/zinc/70/46/03/1066704603.db2.gz PUARLUQNAOFULV-UHFFFAOYSA-N 0 0 453.589 4.530 20 0 JJADRN Cc1cccn2cc(COc3ccccc3C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)nc12 ZINC001446428472 1066704690 /nfs/dbraw/zinc/70/46/90/1066704690.db2.gz QBEBBZAUKZPAKV-DEOSSOPVSA-N 0 0 457.574 4.754 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001456841580 1066704529 /nfs/dbraw/zinc/70/45/29/1066704529.db2.gz PVQCYBZHFMTLBI-NTKDMRAZSA-N 0 0 455.913 4.890 20 0 JJADRN COc1ccc(CN(C(=O)COCCc2ccc(Br)cc2)c2ccncc2)cc1 ZINC001456843318 1066704576 /nfs/dbraw/zinc/70/45/76/1066704576.db2.gz XCAUMCNQQKJRDD-UHFFFAOYSA-N 0 0 455.352 4.645 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCCC3)cc21 ZINC001456843928 1066705239 /nfs/dbraw/zinc/70/52/39/1066705239.db2.gz VAPUQAMCNXAMQE-OAQYLSRUSA-N 0 0 458.603 4.581 20 0 JJADRN COc1cnc([C@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[nH]c1=O ZINC001456847797 1066705277 /nfs/dbraw/zinc/70/52/77/1066705277.db2.gz LYIGOMFXRJKWLD-CQSZACIVSA-N 0 0 451.335 4.598 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630604 1066705551 /nfs/dbraw/zinc/70/55/51/1066705551.db2.gz XNZCMZCSQJVYQT-PKOBYXMFSA-N 0 0 499.685 4.593 20 0 JJADRN C[C@@]12CSC[C@@H]1CN(C(=O)c1ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc1O)C2 ZINC001456849357 1066705621 /nfs/dbraw/zinc/70/56/21/1066705621.db2.gz CSUXCBZFNZVSIY-YEJXKQKISA-N 0 0 451.375 4.776 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630873 1066706104 /nfs/dbraw/zinc/70/61/04/1066706104.db2.gz BRADAWHWLZMJDX-QXAKKESOSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492630718 1066706251 /nfs/dbraw/zinc/70/62/51/1066706251.db2.gz ZODCLJAYLAYZPU-LURPTGHASA-N 0 0 480.663 4.844 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631028 1066706746 /nfs/dbraw/zinc/70/67/46/1066706746.db2.gz DRMZVAPBHWWFAN-PKOBYXMFSA-N 0 0 499.685 4.925 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccccc1Cl ZINC001456855736 1066706632 /nfs/dbraw/zinc/70/66/32/1066706632.db2.gz UUAGTDHUVMTPEU-OAQYLSRUSA-N 0 0 455.942 4.557 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cn(-c2ccc(F)cc2C)nn1)c1ccccc1Cl ZINC001456856073 1066706650 /nfs/dbraw/zinc/70/66/50/1066706650.db2.gz VQVAUFXSYKDFGZ-QHCPKHFHSA-N 0 0 450.901 4.896 20 0 JJADRN O=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001456857278 1066706669 /nfs/dbraw/zinc/70/66/69/1066706669.db2.gz BIENUIGOXWXEQW-BSSNWTCHSA-N 0 0 455.476 4.948 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC001456858082 1066706749 /nfs/dbraw/zinc/70/67/49/1066706749.db2.gz XUZNHDVCGCJBLU-DEOSSOPVSA-N 0 0 455.938 4.902 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CCc2cc(Cl)ccc2Br)n1 ZINC001456855785 1066706916 /nfs/dbraw/zinc/70/69/16/1066706916.db2.gz FAVOIPWZEAWHMX-ZDUSSCGKSA-N 0 0 458.784 4.810 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492631073 1066707240 /nfs/dbraw/zinc/70/72/40/1066707240.db2.gz FOHACEQUBFNURP-OXQOHEQNSA-N 0 0 460.047 4.952 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631194 1066707255 /nfs/dbraw/zinc/70/72/55/1066707255.db2.gz HQPQDVIOBUSZOL-FUHWJXTLSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492631254 1066707389 /nfs/dbraw/zinc/70/73/89/1066707389.db2.gz IDGBNDARRGBTPD-IUODEOHRSA-N 0 0 482.473 4.811 20 0 JJADRN Cc1noc(C)c1N(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC001456859753 1066707377 /nfs/dbraw/zinc/70/73/77/1066707377.db2.gz TYXXAOHRCFCUQG-UHFFFAOYSA-N 0 0 455.490 4.572 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC001545986256 1066707412 /nfs/dbraw/zinc/70/74/12/1066707412.db2.gz CBRPDKVYLFHQLO-QFUCXCTJSA-N 0 0 473.618 4.726 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545986332 1066707437 /nfs/dbraw/zinc/70/74/37/1066707437.db2.gz DBIYWLOBKQCOGZ-RTWAWAEBSA-N 0 0 487.645 4.511 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC001545986254 1066707584 /nfs/dbraw/zinc/70/75/84/1066707584.db2.gz CBRPDKVYLFHQLO-DSKINZAPSA-N 0 0 473.618 4.726 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631393 1066707797 /nfs/dbraw/zinc/70/77/97/1066707797.db2.gz JWPHMAUQVRLAAB-MJGOQNOKSA-N 0 0 476.691 4.786 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC001456859807 1066707850 /nfs/dbraw/zinc/70/78/50/1066707850.db2.gz FUBOQUHPDDCUCC-GOEBONIOSA-N 0 0 454.411 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CC(=O)Nc1nc2cc(Br)ccc2n1-c1ccc(C)cc1 ZINC001456861677 1066708480 /nfs/dbraw/zinc/70/84/80/1066708480.db2.gz GABCALSDYGHCFY-UHFFFAOYSA-N 0 0 452.356 4.628 20 0 JJADRN COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)c2ccccc12 ZINC001456862113 1066708496 /nfs/dbraw/zinc/70/84/96/1066708496.db2.gz KJGMWYIWPBRFMS-HNNXBMFYSA-N 0 0 454.320 4.878 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492631683 1066708342 /nfs/dbraw/zinc/70/83/42/1066708342.db2.gz PRQJIEHKVPTVMS-KRWDZBQOSA-N 0 0 457.619 4.566 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(Cl)cc2)CCO1 ZINC001546085310 1066708987 /nfs/dbraw/zinc/70/89/87/1066708987.db2.gz IZLASVMKSIOQAR-QFIPXVFZSA-N 0 0 492.849 4.948 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)s1 ZINC001492631962 1066709424 /nfs/dbraw/zinc/70/94/24/1066709424.db2.gz UWHXYGSBBKREIU-ICSRJNTNSA-N 0 0 466.655 4.535 20 0 JJADRN COc1ccc(OC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1OC ZINC001456865342 1066709570 /nfs/dbraw/zinc/70/95/70/1066709570.db2.gz MDQBEEZFNYPNSL-UHFFFAOYSA-N 0 0 456.292 4.938 20 0 JJADRN COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c2ccccc12 ZINC001456865913 1066709630 /nfs/dbraw/zinc/70/96/30/1066709630.db2.gz QIASXSSOZOLTOG-SFHVURJKSA-N 0 0 453.560 4.939 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)s1 ZINC001492632208 1066709796 /nfs/dbraw/zinc/70/97/96/1066709796.db2.gz YSJMBMGQWRGGIC-FUHWJXTLSA-N 0 0 458.607 4.627 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)s1 ZINC001492632217 1066709829 /nfs/dbraw/zinc/70/98/29/1066709829.db2.gz ZAKIXGHZZMMFBB-QRQLOZEOSA-N 0 0 488.702 4.738 20 0 JJADRN COc1ncc(/C=C\C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001456867053 1066710091 /nfs/dbraw/zinc/71/00/91/1066710091.db2.gz YHWNITYOGWGSDJ-GBJNBNQZSA-N 0 0 452.352 4.535 20 0 JJADRN CCc1cc(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)c2c(CC(C)(C)C)noc2n1 ZINC001456869246 1066710489 /nfs/dbraw/zinc/71/04/89/1066710489.db2.gz WYZHHPKSEKJHFZ-UHFFFAOYSA-N 0 0 452.486 4.844 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Oc2ccc(C)cc2I)cc1 ZINC001456870819 1066711173 /nfs/dbraw/zinc/71/11/73/1066711173.db2.gz ZRBADOVSZIAUBS-LBPRGKRZSA-N 0 0 455.317 4.644 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492632505 1066711424 /nfs/dbraw/zinc/71/14/24/1066711424.db2.gz GSJNZMSDQLXODS-CQSZACIVSA-N 0 0 469.577 4.927 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446506756 1066711525 /nfs/dbraw/zinc/71/15/25/1066711525.db2.gz RJKWOZQTADYYOW-HSZRJFAPSA-N 0 0 454.011 4.826 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CCC(F)(F)F)s1 ZINC001492632692 1066711531 /nfs/dbraw/zinc/71/15/31/1066711531.db2.gz KKLQMQMZJBBVGS-CYBMUJFWSA-N 0 0 457.497 4.953 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(C(F)F)c3)CC2)s1 ZINC001492632691 1066711547 /nfs/dbraw/zinc/71/15/47/1066711547.db2.gz KJWYIKLJFOEUCT-UHFFFAOYSA-N 0 0 474.581 4.551 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C2CC(C(C)(C)C)C2)CCO1 ZINC001546085407 1066711625 /nfs/dbraw/zinc/71/16/25/1066711625.db2.gz KWOURTPPXVJTMJ-CPHAMLGRSA-N 0 0 472.630 4.973 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2F)CCO1 ZINC001546085409 1066711756 /nfs/dbraw/zinc/71/17/56/1066711756.db2.gz KYOUKZZIKJWTHN-NRFANRHFSA-N 0 0 462.367 4.537 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C2CC2)s1 ZINC001492632820 1066712070 /nfs/dbraw/zinc/71/20/70/1066712070.db2.gz NLXVDDNPLVVJME-ZDUSSCGKSA-N 0 0 462.417 4.787 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1OC ZINC001456879171 1066712783 /nfs/dbraw/zinc/71/27/83/1066712783.db2.gz GENUYGDARXIGKL-DOMZBBRYSA-N 0 0 455.292 4.515 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Oc1ccc(Br)cc1 ZINC001456879687 1066712792 /nfs/dbraw/zinc/71/27/92/1066712792.db2.gz GILXJRSYBCTVQM-BJOOFOGMSA-N 0 0 458.274 4.515 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1OC ZINC001456879511 1066712816 /nfs/dbraw/zinc/71/28/16/1066712816.db2.gz GENUYGDARXIGKL-WFASDCNBSA-N 0 0 455.292 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)CCc1cccc(F)c1Br ZINC001456879537 1066712906 /nfs/dbraw/zinc/71/29/06/1066712906.db2.gz IVNDVKYIGVMFBT-MRXNPFEDSA-N 0 0 457.384 4.817 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492633107 1066713004 /nfs/dbraw/zinc/71/30/04/1066713004.db2.gz UWCFHXAICIVMPS-HKUYNNGSSA-N 0 0 466.655 4.634 20 0 JJADRN CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001456881418 1066713368 /nfs/dbraw/zinc/71/33/68/1066713368.db2.gz FCGURGBUTNFHQX-AUSIDOKSSA-N 0 0 459.384 4.977 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1N1CCOC1=O ZINC001456883082 1066713788 /nfs/dbraw/zinc/71/37/88/1066713788.db2.gz OCLQQPQKHIIDOT-LBPRGKRZSA-N 0 0 451.342 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1O2 ZINC001456885475 1066713847 /nfs/dbraw/zinc/71/38/47/1066713847.db2.gz KXSUVCZVJSNVJY-CYFREDJKSA-N 0 0 458.942 4.679 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)s1 ZINC001492633367 1066713997 /nfs/dbraw/zinc/71/39/97/1066713997.db2.gz YWDHUAKPVKAAKO-ZWKOTPCHSA-N 0 0 492.615 4.705 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1 ZINC001446519529 1066714029 /nfs/dbraw/zinc/71/40/29/1066714029.db2.gz NXHPTZNRUMKWMX-VXKWHMMOSA-N 0 0 456.011 4.879 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1 ZINC001446519524 1066714209 /nfs/dbraw/zinc/71/42/09/1066714209.db2.gz NXHPTZNRUMKWMX-FGZHOGPDSA-N 0 0 456.011 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC001456889163 1066714744 /nfs/dbraw/zinc/71/47/44/1066714744.db2.gz OGFWRLZIVJDXHZ-XAEMIUIASA-N 0 0 450.526 4.832 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4cccn4C)n3C[C@@H](C)CNC(=O)OC(C)(C)C)CC2)s1 ZINC001492633540 1066715057 /nfs/dbraw/zinc/71/50/57/1066715057.db2.gz FPMWDIYOBLBVJD-KRWDZBQOSA-N 0 0 499.685 4.593 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546085473 1066715261 /nfs/dbraw/zinc/71/52/61/1066715261.db2.gz LUOQTUAODRQLPY-NRUKRWIHSA-N 0 0 478.728 4.828 20 0 JJADRN C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456890591 1066715309 /nfs/dbraw/zinc/71/53/09/1066715309.db2.gz QWRTUEYCSSPCLD-QNXIHNPRSA-N 0 0 450.579 4.885 20 0 JJADRN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001446524061 1066715299 /nfs/dbraw/zinc/71/52/99/1066715299.db2.gz HJDHSDWMYUGVFI-SJLPKXTDSA-N 0 0 458.274 4.556 20 0 JJADRN O=C(CSC[C@@H]1CCCCO1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446526177 1066715310 /nfs/dbraw/zinc/71/53/10/1066715310.db2.gz FNPIIMJEUFIJSH-ZCYQVOJMSA-N 0 0 459.055 4.876 20 0 JJADRN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001446524060 1066715538 /nfs/dbraw/zinc/71/55/38/1066715538.db2.gz HJDHSDWMYUGVFI-FUHWJXTLSA-N 0 0 458.274 4.556 20 0 JJADRN Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC001456893021 1066715840 /nfs/dbraw/zinc/71/58/40/1066715840.db2.gz QISDODOUJLMIRH-MRXNPFEDSA-N 0 0 453.004 4.557 20 0 JJADRN CN(C)c1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001456894351 1066715893 /nfs/dbraw/zinc/71/58/93/1066715893.db2.gz SIAYSLGVCDSELA-JOCHJYFZSA-N 0 0 454.615 4.781 20 0 JJADRN CCOC(=O)C1(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001446527401 1066715861 /nfs/dbraw/zinc/71/58/61/1066715861.db2.gz KTWBRPHWKKFAMD-QHCPKHFHSA-N 0 0 454.998 4.697 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001492634011 1066715894 /nfs/dbraw/zinc/71/58/94/1066715894.db2.gz XIFJDYBHJDQALP-HZPDHXFCSA-N 0 0 455.990 4.602 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001492634074 1066715905 /nfs/dbraw/zinc/71/59/05/1066715905.db2.gz ACAHOLGWVUBQIL-UHFFFAOYSA-N 0 0 455.990 4.598 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)Oc1ccccc1F ZINC001545987173 1066716032 /nfs/dbraw/zinc/71/60/32/1066716032.db2.gz PUPSMSCTTQADDL-UYAOXDASSA-N 0 0 487.620 4.988 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001456897017 1066716386 /nfs/dbraw/zinc/71/63/86/1066716386.db2.gz PIURSIMYTHLTLC-OAHLLOKOSA-N 0 0 456.384 4.739 20 0 JJADRN O=C(CCC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1c(F)cccc1F ZINC001456895524 1066716420 /nfs/dbraw/zinc/71/64/20/1066716420.db2.gz MERWUYHNLPPZHV-UHFFFAOYSA-N 0 0 458.686 4.765 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(C)(C)C1 ZINC001492634262 1066716489 /nfs/dbraw/zinc/71/64/89/1066716489.db2.gz IEFRDGCLRNOKMO-UHFFFAOYSA-N 0 0 464.433 4.636 20 0 JJADRN NS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCC2)c2ccc(Oc3ccccc3)cc2)co1 ZINC001446531085 1066716738 /nfs/dbraw/zinc/71/67/38/1066716738.db2.gz DWOJCEPCHMQAEG-QFIPXVFZSA-N 0 0 454.548 4.771 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001492634487 1066717145 /nfs/dbraw/zinc/71/71/45/1066717145.db2.gz PIMFULQWLRSWJJ-PMACEKPBSA-N 0 0 497.615 4.946 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccccn1 ZINC001492634515 1066717266 /nfs/dbraw/zinc/71/72/66/1066717266.db2.gz QETQVQNNKAJBSV-UHFFFAOYSA-N 0 0 452.356 4.997 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccc(Br)cc1F ZINC001456900911 1066717466 /nfs/dbraw/zinc/71/74/66/1066717466.db2.gz PGZCKINHERFNMZ-UHFFFAOYSA-N 0 0 454.137 4.930 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492634895 1066717562 /nfs/dbraw/zinc/71/75/62/1066717562.db2.gz BTHHCGCSFYVMFW-JOCHJYFZSA-N 0 0 487.645 4.861 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnccn1 ZINC001492634942 1066718112 /nfs/dbraw/zinc/71/81/12/1066718112.db2.gz ZZISHSRLTWRCBV-UHFFFAOYSA-N 0 0 471.334 4.531 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001492635251 1066718167 /nfs/dbraw/zinc/71/81/67/1066718167.db2.gz LVHNXHQGRAXJKQ-XKGZKEIXSA-N 0 0 457.619 4.885 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001446540636 1066718233 /nfs/dbraw/zinc/71/82/33/1066718233.db2.gz LMUMJHJRUSTNEH-IBGZPJMESA-N 0 0 455.407 4.710 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492635200 1066718259 /nfs/dbraw/zinc/71/82/59/1066718259.db2.gz KAYNEHZPSFROQH-QGZVFWFLSA-N 0 0 457.619 4.933 20 0 JJADRN C[C@H](CC(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cnn(C)c1 ZINC001456906726 1066718518 /nfs/dbraw/zinc/71/85/18/1066718518.db2.gz RMXIIBBACVICJA-OAHLLOKOSA-N 0 0 452.356 4.713 20 0 JJADRN CC(C)(C)OC(=O)Nc1nc(CNC(=O)C/C=C/c2ccc(Br)cc2)cs1 ZINC001456906722 1066718552 /nfs/dbraw/zinc/71/85/52/1066718552.db2.gz OCVXEBQAOXHGLS-SNAWJCMRSA-N 0 0 452.374 4.972 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492635581 1066718806 /nfs/dbraw/zinc/71/88/06/1066718806.db2.gz VWHKPMAOBJOFKH-OAQYLSRUSA-N 0 0 473.618 4.614 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492635560 1066718862 /nfs/dbraw/zinc/71/88/62/1066718862.db2.gz VCXMXQCLIVHXNK-UHFFFAOYSA-N 0 0 457.619 4.935 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C(F)F)cc1F ZINC001446544189 1066718972 /nfs/dbraw/zinc/71/89/72/1066718972.db2.gz RJHDKTGSUZTDOF-UHFFFAOYSA-N 0 0 457.518 4.868 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492635545 1066718938 /nfs/dbraw/zinc/71/89/38/1066718938.db2.gz UPOSWBFSOMDDBX-NRFANRHFSA-N 0 0 487.645 4.514 20 0 JJADRN CSc1cc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)ccc1Br ZINC001456910596 1066719045 /nfs/dbraw/zinc/71/90/45/1066719045.db2.gz BXIXPAQMZBRSGR-QGZVFWFLSA-N 0 0 459.203 4.571 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1F ZINC001456909626 1066719062 /nfs/dbraw/zinc/71/90/62/1066719062.db2.gz GFPHJBPGUXPURZ-UHFFFAOYSA-N 0 0 456.909 4.569 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001456910833 1066719528 /nfs/dbraw/zinc/71/95/28/1066719528.db2.gz CLHMBIMATLVRHW-DYXWJJEUSA-N 0 0 455.396 4.905 20 0 JJADRN CC[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(C(F)(F)F)cs1 ZINC001456911315 1066719599 /nfs/dbraw/zinc/71/95/99/1066719599.db2.gz GIYMBFNDDGYLBA-INIZCTEOSA-N 0 0 459.449 4.844 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001492636025 1066720081 /nfs/dbraw/zinc/72/00/81/1066720081.db2.gz ITSIQNGJAUUOFZ-GASCZTMLSA-N 0 0 459.388 4.970 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N[C@@H](CC)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001456913153 1066720195 /nfs/dbraw/zinc/72/01/95/1066720195.db2.gz JFLNFCUACNMKRK-RXVVDRJESA-N 0 0 450.501 4.809 20 0 JJADRN CON(C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCCOc2ccccc21 ZINC001446553824 1066720656 /nfs/dbraw/zinc/72/06/56/1066720656.db2.gz JRHVROOPEKQSCO-SFHVURJKSA-N 0 0 458.580 4.959 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001456915313 1066720607 /nfs/dbraw/zinc/72/06/07/1066720607.db2.gz OXEAVJZMMHTZAN-QGZVFWFLSA-N 0 0 454.596 4.785 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492636443 1066721172 /nfs/dbraw/zinc/72/11/72/1066721172.db2.gz CXCONLCCUQVHAJ-PBHICJAKSA-N 0 0 472.615 4.519 20 0 JJADRN CC(C)C[C@@H](C)NC(=O)c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001446566536 1066721728 /nfs/dbraw/zinc/72/17/28/1066721728.db2.gz MGNAQSGCSYRWJH-CQSZACIVSA-N 0 0 455.393 4.743 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)C1 ZINC001456919613 1066721719 /nfs/dbraw/zinc/72/17/19/1066721719.db2.gz IKRJRZFLXNTBDX-OALUTQOASA-N 0 0 455.653 4.780 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCC2(F)F)CCO1 ZINC001546085608 1066721792 /nfs/dbraw/zinc/72/17/92/1066721792.db2.gz OPFSJIQTGXISON-LIRRHRJNSA-N 0 0 472.378 4.867 20 0 JJADRN C[C@@H](CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)Oc1ccccc1F ZINC001456918304 1066721858 /nfs/dbraw/zinc/72/18/58/1066721858.db2.gz GPZGPWMIZCPVAU-SFHVURJKSA-N 0 0 458.599 4.812 20 0 JJADRN Cc1coc(C)c1Cn1c(N(CCO)Cc2ccc(Br)s2)nnc1C(C)(C)C ZINC001492636788 1066722192 /nfs/dbraw/zinc/72/21/92/1066722192.db2.gz YHCJBVPXUONYSM-UHFFFAOYSA-N 0 0 467.433 4.657 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cl)c(I)c3)C2)cc1 ZINC001456921000 1066722198 /nfs/dbraw/zinc/72/21/98/1066722198.db2.gz MFNQIOWXLAWTLE-HNNXBMFYSA-N 0 0 454.739 4.652 20 0 JJADRN COc1cc(C)cc(CNC(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001446570909 1066722266 /nfs/dbraw/zinc/72/22/66/1066722266.db2.gz OWOSWRXTPVQEAR-LJQANCHMSA-N 0 0 458.558 4.795 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)C1 ZINC001456919615 1066722381 /nfs/dbraw/zinc/72/23/81/1066722381.db2.gz IKRJRZFLXNTBDX-RTBURBONSA-N 0 0 455.653 4.780 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492637117 1066722670 /nfs/dbraw/zinc/72/26/70/1066722670.db2.gz LFDWNMDGSNEOKB-AEFFLSMTSA-N 0 0 462.664 4.663 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)n1 ZINC001492637094 1066722711 /nfs/dbraw/zinc/72/27/11/1066722711.db2.gz KTSBAUQSHTYRMU-ZFWWWQNUSA-N 0 0 451.518 4.971 20 0 JJADRN COc1cc(C)cc(CNC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001446575855 1066722807 /nfs/dbraw/zinc/72/28/07/1066722807.db2.gz YBMUJHIUEIFAAP-UHFFFAOYSA-N 0 0 453.583 4.502 20 0 JJADRN Cc1nn(CC(=O)N[C@@H](C)C[C@H](O)c2cccs2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001446580218 1066722922 /nfs/dbraw/zinc/72/29/22/1066722922.db2.gz AINIORDNBDFFNC-LRDDRELGSA-N 0 0 454.518 4.572 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC001446580640 1066723022 /nfs/dbraw/zinc/72/30/22/1066723022.db2.gz SIZHNBQTJLHXJC-PMERPWLBSA-N 0 0 458.389 4.572 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)c2ccc(F)cc2F)[C@H]1c1ccc(OC)cc1 ZINC001456921958 1066722940 /nfs/dbraw/zinc/72/29/40/1066722940.db2.gz OEDLYOXLAVSLRO-QOKIKDITSA-N 0 0 458.549 4.973 20 0 JJADRN C[C@@H](CNC(=O)CCCCc1ccc(I)cc1)Oc1ccc(F)cc1 ZINC001456924704 1066723339 /nfs/dbraw/zinc/72/33/39/1066723339.db2.gz SKVQEYZTEIMHAN-HNNXBMFYSA-N 0 0 455.311 4.727 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492637414 1066723459 /nfs/dbraw/zinc/72/34/59/1066723459.db2.gz QUJVJDNACACPEV-IPJUCJBFSA-N 0 0 470.618 4.900 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H](C)C2)n1 ZINC001492637425 1066723569 /nfs/dbraw/zinc/72/35/69/1066723569.db2.gz RCSUCNQETDBBPD-HOTGVXAUSA-N 0 0 473.046 4.666 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C)C2)n1 ZINC001492637545 1066724030 /nfs/dbraw/zinc/72/40/30/1066724030.db2.gz UKFCKZYTSPAQPH-UKRRQHHQSA-N 0 0 462.417 4.501 20 0 JJADRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001446588084 1066724126 /nfs/dbraw/zinc/72/41/26/1066724126.db2.gz OBZXVGYIBOLKSX-UYAOXDASSA-N 0 0 458.624 4.645 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)n1 ZINC001492637706 1066724535 /nfs/dbraw/zinc/72/45/35/1066724535.db2.gz XTUGOGIFGIKDHA-IRXDYDNUSA-N 0 0 487.695 4.790 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nc(C)c(C)s2)CCO1 ZINC001546085632 1066724549 /nfs/dbraw/zinc/72/45/49/1066724549.db2.gz OXXIRQVEQFUOKB-QHCPKHFHSA-N 0 0 477.581 4.868 20 0 JJADRN Cc1cc(CCC(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1Br ZINC001456930744 1066724900 /nfs/dbraw/zinc/72/49/00/1066724900.db2.gz UHKCRRIELIATMB-QFBILLFUSA-N 0 0 453.421 4.984 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456932248 1066724980 /nfs/dbraw/zinc/72/49/80/1066724980.db2.gz LHXBYAUMXDVWQK-ICSRJNTNSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1cc(CCC(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1Br ZINC001456930747 1066725029 /nfs/dbraw/zinc/72/50/29/1066725029.db2.gz UHKCRRIELIATMB-VQIMIIECSA-N 0 0 453.421 4.984 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001492637887 1066725010 /nfs/dbraw/zinc/72/50/10/1066725010.db2.gz APSGTSNCOMZHGF-PVAVHDDUSA-N 0 0 461.632 4.895 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC001446599674 1066725024 /nfs/dbraw/zinc/72/50/24/1066725024.db2.gz JOMSTDXSQJREBD-UHFFFAOYSA-N 0 0 456.539 4.742 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001446605349 1066725157 /nfs/dbraw/zinc/72/51/57/1066725157.db2.gz BHWZUAWOGALXME-OAHLLOKOSA-N 0 0 452.420 4.913 20 0 JJADRN CC(C)c1c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cnn1-c1ccccc1Cl ZINC001456934472 1066725520 /nfs/dbraw/zinc/72/55/20/1066725520.db2.gz NBYFMCWAORILEE-UHFFFAOYSA-N 0 0 451.933 4.946 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC001456933078 1066725582 /nfs/dbraw/zinc/72/55/82/1066725582.db2.gz SMNHWVSOTRYHGV-PXNSSMCTSA-N 0 0 456.384 4.707 20 0 JJADRN COc1cccc(C(C)(C)CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c1 ZINC001446611197 1066725677 /nfs/dbraw/zinc/72/56/77/1066725677.db2.gz GOGRCRKQGSFJIA-UHFFFAOYSA-N 0 0 454.473 4.639 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492638327 1066726008 /nfs/dbraw/zinc/72/60/08/1066726008.db2.gz FYQTZLPCUTZQHF-MRXNPFEDSA-N 0 0 484.651 4.846 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001446619861 1066726079 /nfs/dbraw/zinc/72/60/79/1066726079.db2.gz VIMBOTNVKRPSDC-AEFFLSMTSA-N 0 0 450.339 4.816 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nnc2C(C)(C)C)n1 ZINC001492638311 1066726097 /nfs/dbraw/zinc/72/60/97/1066726097.db2.gz FVXYQUHDWYEJHO-WBVHZDCISA-N 0 0 462.664 4.590 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001456938182 1066726437 /nfs/dbraw/zinc/72/64/37/1066726437.db2.gz KZWORCHLWAMTAB-UHFFFAOYSA-N 0 0 450.485 4.926 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC001446621124 1066726628 /nfs/dbraw/zinc/72/66/28/1066726628.db2.gz PHFTYSRAUPKRKU-CQSZACIVSA-N 0 0 451.976 4.756 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001456942826 1066726979 /nfs/dbraw/zinc/72/69/79/1066726979.db2.gz DIOOBCOBVGDDDV-UHFFFAOYSA-N 0 0 454.221 4.932 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3ccc(OC)cc3)CC2)c1Cl ZINC001456942100 1066727106 /nfs/dbraw/zinc/72/71/06/1066727106.db2.gz WFRVLSNDSRVTIE-UHFFFAOYSA-N 0 0 456.391 4.815 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(F)ccc2C1)NC(=O)OC(C)(C)C ZINC001545987870 1066726962 /nfs/dbraw/zinc/72/69/62/1066726962.db2.gz XTMOVCCCVIOOEI-LEWJYISDSA-N 0 0 473.593 4.525 20 0 JJADRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCn1c2ccccc2c2ccccc21 ZINC001446632465 1066727074 /nfs/dbraw/zinc/72/70/74/1066727074.db2.gz NTLUZBDWDFXVRO-QHCPKHFHSA-N 0 0 459.615 4.771 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)[C@H](C)c3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492638649 1066727084 /nfs/dbraw/zinc/72/70/84/1066727084.db2.gz JFUGCCDNAIPWIE-JTUHZDRVSA-N 0 0 459.616 4.678 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H]2CC=CCC2)n1 ZINC001492638725 1066727139 /nfs/dbraw/zinc/72/71/39/1066727139.db2.gz JQXRFTLBWVMUPW-FUHWJXTLSA-N 0 0 470.668 4.631 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)n1 ZINC001492638893 1066727492 /nfs/dbraw/zinc/72/74/92/1066727492.db2.gz LBEZUBZOZXQURO-PKOBYXMFSA-N 0 0 469.655 4.948 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)n1 ZINC001492638869 1066727536 /nfs/dbraw/zinc/72/75/36/1066727536.db2.gz JSYDKMHFFNIFLM-SFHVURJKSA-N 0 0 472.703 4.664 20 0 JJADRN CN(C)c1ncnc2c1cc(C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)n2C ZINC001446641151 1066727691 /nfs/dbraw/zinc/72/76/91/1066727691.db2.gz HEQYURIAWRVILQ-HXUWFJFHSA-N 0 0 454.361 4.861 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC001456946475 1066727711 /nfs/dbraw/zinc/72/77/11/1066727711.db2.gz MYKNGUZFGHFVIT-HNNXBMFYSA-N 0 0 459.468 4.583 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492639142 1066728150 /nfs/dbraw/zinc/72/81/50/1066728150.db2.gz LQDSSKYOGNYNPS-GOEBONIOSA-N 0 0 458.598 4.508 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)Oc1ccccc1F ZINC001545987921 1066728673 /nfs/dbraw/zinc/72/86/73/1066728673.db2.gz YRGGLBLMYNEXFH-XXBNENTESA-N 0 0 470.593 4.503 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)n1 ZINC001492639291 1066728671 /nfs/dbraw/zinc/72/86/71/1066728671.db2.gz NDNZKVKUVQBCEB-OAHLLOKOSA-N 0 0 484.029 4.581 20 0 JJADRN COc1ccc(C2(CNC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)CCC2)cc1 ZINC001446646819 1066728864 /nfs/dbraw/zinc/72/88/64/1066728864.db2.gz WXLIVEJFMFRDGL-RUZDIDTESA-N 0 0 458.558 4.901 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1OC ZINC001446649315 1066728879 /nfs/dbraw/zinc/72/88/79/1066728879.db2.gz AULXKRJWAJMGMI-ZVZYQTTQSA-N 0 0 452.979 4.513 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456951143 1066728761 /nfs/dbraw/zinc/72/87/61/1066728761.db2.gz WRWUZFZTJOGWLX-INIZCTEOSA-N 0 0 450.288 4.563 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)n1 ZINC001492639726 1066729208 /nfs/dbraw/zinc/72/92/08/1066729208.db2.gz SOIBNLSBFPONOG-MRXNPFEDSA-N 0 0 487.073 4.760 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)n1 ZINC001492639723 1066729228 /nfs/dbraw/zinc/72/92/28/1066729228.db2.gz SOIBNLSBFPONOG-INIZCTEOSA-N 0 0 487.073 4.760 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n1 ZINC001492639688 1066729279 /nfs/dbraw/zinc/72/92/79/1066729279.db2.gz SEFITIYHGNEACZ-WNSKOXEYSA-N 0 0 474.700 4.844 20 0 JJADRN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(I)cc1C ZINC001456958441 1066729709 /nfs/dbraw/zinc/72/97/09/1066729709.db2.gz JHDVRRQWHURPLV-UHFFFAOYSA-N 0 0 453.667 4.864 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)cc1 ZINC001456960740 1066729723 /nfs/dbraw/zinc/72/97/23/1066729723.db2.gz VWYZHRJLHKYOOF-UHFFFAOYSA-N 0 0 456.583 4.646 20 0 JJADRN CN(C[C@H]1CC=CCC1)C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446659481 1066730289 /nfs/dbraw/zinc/73/02/89/1066730289.db2.gz WPLIQADMAKJHHB-CVDCTZTESA-N 0 0 455.396 4.664 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC(OCC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456961611 1066730283 /nfs/dbraw/zinc/73/02/83/1066730283.db2.gz QAAVCTIUPZDXAL-PGRDOPGGSA-N 0 0 450.982 4.585 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)c(C(F)(F)F)c1 ZINC001456961936 1066730293 /nfs/dbraw/zinc/73/02/93/1066730293.db2.gz SVYCYAVSGZMMDW-UHFFFAOYSA-N 0 0 456.896 4.856 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC001456963209 1066730752 /nfs/dbraw/zinc/73/07/52/1066730752.db2.gz XLDDNZVYOPEACK-UHFFFAOYSA-N 0 0 457.596 4.524 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@H](CO)C3CCCCC3)cs2)cc1 ZINC001446693594 1066731264 /nfs/dbraw/zinc/73/12/64/1066731264.db2.gz AACRWLHTUSCZAO-LJQANCHMSA-N 0 0 459.612 4.752 20 0 JJADRN Cc1ccsc1[C@H](CO)NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001446696593 1066731283 /nfs/dbraw/zinc/73/12/83/1066731283.db2.gz FSZHTARRWMOGKS-SFHVURJKSA-N 0 0 459.365 4.535 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC001446695298 1066731335 /nfs/dbraw/zinc/73/13/35/1066731335.db2.gz DCSAQKPTMGSBHN-HSZRJFAPSA-N 0 0 453.380 4.939 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(F)c(I)c2)cc1 ZINC001456966339 1066731746 /nfs/dbraw/zinc/73/17/46/1066731746.db2.gz RASBXPWWVRTZKL-VQIMIIECSA-N 0 0 453.295 4.636 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1)c1cccc(Br)c1 ZINC001456965250 1066731782 /nfs/dbraw/zinc/73/17/82/1066731782.db2.gz WXKPYNYSUOAERS-UHFFFAOYSA-N 0 0 457.368 4.733 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCN(c4cccc(F)c4F)CC3)nnc2C(C)(C)C)n1 ZINC001492640461 1066731674 /nfs/dbraw/zinc/73/16/74/1066731674.db2.gz ZQIAFOKQSXQZIC-HNNXBMFYSA-N 0 0 460.598 4.749 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC001492640535 1066731745 /nfs/dbraw/zinc/73/17/45/1066731745.db2.gz YDEUNHHSYWTRFW-AGXBYUTESA-N 0 0 482.679 4.787 20 0 JJADRN Cc1ccc(C2CCN(C(=O)c3ncoc3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 ZINC001446698935 1066731890 /nfs/dbraw/zinc/73/18/90/1066731890.db2.gz IOOPWBCSBOAHFR-UHFFFAOYSA-N 0 0 454.571 4.512 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCOC(F)F)CCO2)n1 ZINC001492640673 1066732312 /nfs/dbraw/zinc/73/23/12/1066732312.db2.gz AMLCTXYVZCQRJQ-QAPCUYQASA-N 0 0 497.543 4.529 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccc(Br)s4)n3CCOC(C)C)CCO2)n1 ZINC001492640687 1066732353 /nfs/dbraw/zinc/73/23/53/1066732353.db2.gz ATWFRSXLLZVWBO-AWEZNQCLSA-N 0 0 498.472 4.537 20 0 JJADRN C[C@]12CCC(=O)N1[C@H](C(=O)Oc1cccc(OCc3cccc(C(F)(F)F)c3)c1)CS2 ZINC001456968742 1066732294 /nfs/dbraw/zinc/73/22/94/1066732294.db2.gz ZGLVAEYTWILBNP-RXVVDRJESA-N 0 0 451.466 4.644 20 0 JJADRN COc1cc(C2(C(=O)Nc3cc(F)c(F)cc3I)CCC2)ccc1C ZINC001456967394 1066732319 /nfs/dbraw/zinc/73/23/19/1066732319.db2.gz AEEDCMDAKAFSRW-UHFFFAOYSA-N 0 0 457.258 4.947 20 0 JJADRN O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001456968459 1066732370 /nfs/dbraw/zinc/73/23/70/1066732370.db2.gz PWJKDALHDHFKNN-RDTXWAMCSA-N 0 0 481.323 4.570 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C(=O)N1c1ccccc1 ZINC001456971800 1066732945 /nfs/dbraw/zinc/73/29/45/1066732945.db2.gz GTRMYMYRKNKOTF-ZGNKEGEESA-N 0 0 452.913 4.909 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3Cl)CCO2)n1 ZINC001492641090 1066733310 /nfs/dbraw/zinc/73/33/10/1066733310.db2.gz JBQXAOYWALEYIN-IBGZPJMESA-N 0 0 476.046 4.942 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)ccc2C)c1 ZINC001456974593 1066733393 /nfs/dbraw/zinc/73/33/93/1066733393.db2.gz LSCVZKQNIMVHNN-UHFFFAOYSA-N 0 0 451.567 4.629 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC001456975869 1066733495 /nfs/dbraw/zinc/73/34/95/1066733495.db2.gz MKKVNQQGYAEWCB-GOSISDBHSA-N 0 0 454.548 4.548 20 0 JJADRN O=C(NCC[C@H]1CCC(F)(F)C1)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001456973506 1066733506 /nfs/dbraw/zinc/73/35/06/1066733506.db2.gz IPKNYPKWVPJBTB-GFCCVEGCSA-N 0 0 455.299 4.771 20 0 JJADRN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001456975811 1066733554 /nfs/dbraw/zinc/73/35/54/1066733554.db2.gz FMWWHTUIADLWRA-IXDOHACOSA-N 0 0 457.398 4.581 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCCOCC(F)F)C2)n1 ZINC001492641182 1066733814 /nfs/dbraw/zinc/73/38/14/1066733814.db2.gz CVRAOVDMIMEUPK-GOSISDBHSA-N 0 0 479.572 4.829 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)c3ccccc3F)C2)n1 ZINC001492641154 1066733900 /nfs/dbraw/zinc/73/39/00/1066733900.db2.gz CHGLGDOBGKRIJD-GOSISDBHSA-N 0 0 484.645 4.682 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC001456977709 1066734579 /nfs/dbraw/zinc/73/45/79/1066734579.db2.gz KJFPQRBQYNXRAI-XXBNENTESA-N 0 0 458.624 4.559 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC001545988785 1066734633 /nfs/dbraw/zinc/73/46/33/1066734633.db2.gz SYYAAVQSEULSBU-YTMAHBJJSA-N 0 0 453.945 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1NC(=O)c1cccs1 ZINC001446738597 1066734739 /nfs/dbraw/zinc/73/47/39/1066734739.db2.gz GVRQTSLQXCNHNM-SJORKVTESA-N 0 0 455.580 4.614 20 0 JJADRN Cc1cccc(O)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001446721781 1066734759 /nfs/dbraw/zinc/73/47/59/1066734759.db2.gz RFPRYVDQBGBZRJ-UHFFFAOYSA-N 0 0 450.438 4.773 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)Nc3cc(F)c(F)cc3I)c2nc1C ZINC001456980068 1066734989 /nfs/dbraw/zinc/73/49/89/1066734989.db2.gz XLGQRQXSHYHMNR-UHFFFAOYSA-N 0 0 457.193 4.521 20 0 JJADRN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001456980889 1066735045 /nfs/dbraw/zinc/73/50/45/1066735045.db2.gz OXITXDGQSCIQCX-CRAIPNDOSA-N 0 0 459.414 4.656 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)n1 ZINC001492641763 1066735276 /nfs/dbraw/zinc/73/52/76/1066735276.db2.gz JGFBDXCWCQHWSG-KTBRYMIGSA-N 0 0 471.696 4.552 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)N2CCO[C@@H](CC)C2)ccc1Sc1ccccc1 ZINC001446754540 1066735948 /nfs/dbraw/zinc/73/59/48/1066735948.db2.gz GRKUIUWXUAEYEF-SIKLNZKXSA-N 0 0 456.608 4.842 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4)n3CC(C)(C)NC(=O)OC(C)(C)C)CCO2)n1 ZINC001492642231 1066736004 /nfs/dbraw/zinc/73/60/04/1066736004.db2.gz TXSBOPQGDBPLLY-IBGZPJMESA-N 0 0 498.653 4.591 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546085957 1066736002 /nfs/dbraw/zinc/73/60/02/1066736002.db2.gz WAKULKIQBSPJEA-OPAMFIHVSA-N 0 0 485.620 4.631 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCSCC(C)C)CCO1 ZINC001546085935 1066736023 /nfs/dbraw/zinc/73/60/23/1066736023.db2.gz VOBKPXLORHHHMG-FQEVSTJZSA-N 0 0 470.481 4.820 20 0 JJADRN CCCc1c(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)cnn1-c1cccc(F)c1 ZINC001446754781 1066736422 /nfs/dbraw/zinc/73/64/22/1066736422.db2.gz OXRRMDNMGQYDHX-UHFFFAOYSA-N 0 0 457.509 4.792 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NC[C@@H]1CCC=CCCC1 ZINC001456988031 1066736547 /nfs/dbraw/zinc/73/65/47/1066736547.db2.gz ASBMAKDNSRZFHF-WIYYLYMNSA-N 0 0 458.603 4.608 20 0 JJADRN C[C@H](O)C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446764188 1066736911 /nfs/dbraw/zinc/73/69/11/1066736911.db2.gz RKMJEAQBDZBAGX-DGUDUIIESA-N 0 0 458.558 4.542 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccco1)OC ZINC001545989062 1066736960 /nfs/dbraw/zinc/73/69/60/1066736960.db2.gz AGARRSIXRILPQX-HKUYNNGSSA-N 0 0 461.607 4.608 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCC(=O)N(C)C)C2)n1 ZINC001492642923 1066737308 /nfs/dbraw/zinc/73/73/08/1066737308.db2.gz VSNVJXZJSCKJIU-INIZCTEOSA-N 0 0 491.036 4.755 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccccc1F ZINC001545989335 1066737431 /nfs/dbraw/zinc/73/74/31/1066737431.db2.gz DTIYTMSLPSSPNQ-ZWKOTPCHSA-N 0 0 470.511 4.948 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456991115 1066737606 /nfs/dbraw/zinc/73/76/06/1066737606.db2.gz PYGMGGZDDHZHJU-GOSISDBHSA-N 0 0 456.970 4.776 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545989460 1066737944 /nfs/dbraw/zinc/73/79/44/1066737944.db2.gz GLPARGJRHQTRQC-WPYKKVEZSA-N 0 0 474.621 4.953 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccsc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492643076 1066738378 /nfs/dbraw/zinc/73/83/78/1066738378.db2.gz YMASTEPKQICNSF-QGZVFWFLSA-N 0 0 484.617 4.573 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)nnc1-c1cccc(C)c1 ZINC001446784997 1066738450 /nfs/dbraw/zinc/73/84/50/1066738450.db2.gz BIROATYCIYIFPJ-PGRDOPGGSA-N 0 0 450.608 4.984 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1 ZINC001446782686 1066738518 /nfs/dbraw/zinc/73/85/18/1066738518.db2.gz IZXNNRZQZREFQE-HHHXNRCGSA-N 0 0 456.586 4.956 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)COC)CCO1 ZINC001546086071 1066738558 /nfs/dbraw/zinc/73/85/58/1066738558.db2.gz YLTZPMAYFCYVLV-VLIAUNLRSA-N 0 0 471.827 4.649 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)nnn1-c1cccc(Br)c1 ZINC001446788105 1066739124 /nfs/dbraw/zinc/73/91/24/1066739124.db2.gz AVJWVJPQCWFCHB-MRXNPFEDSA-N 0 0 457.347 4.887 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446785888 1066739161 /nfs/dbraw/zinc/73/91/61/1066739161.db2.gz DBLCMTMAAKQJCB-DEQVHDEQSA-N 0 0 452.395 4.935 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)Cn2ccc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446786187 1066739175 /nfs/dbraw/zinc/73/91/75/1066739175.db2.gz RCKFIVUKMHQBGO-YOJAFSQSSA-N 0 0 455.961 4.937 20 0 JJADRN Cc1csc(CCCCn2c(COc3ccc(F)cc3)nnc2N(C)CC(F)(F)F)n1 ZINC001492643334 1066739357 /nfs/dbraw/zinc/73/93/57/1066739357.db2.gz GDDAPNIRDGXNOC-UHFFFAOYSA-N 0 0 457.497 4.783 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc1 ZINC001457006168 1066739529 /nfs/dbraw/zinc/73/95/29/1066739529.db2.gz HWKZWWHSWCPXPH-UHFFFAOYSA-N 0 0 458.580 4.515 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)Oc1cccc(F)c1 ZINC001457005603 1066739628 /nfs/dbraw/zinc/73/96/28/1066739628.db2.gz DXDDRGHPLZRQPM-CYBMUJFWSA-N 0 0 455.839 4.940 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2cccn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446788388 1066739609 /nfs/dbraw/zinc/73/96/09/1066739609.db2.gz XOZXCQBAPFLCLN-URXFXBBRSA-N 0 0 453.945 4.809 20 0 JJADRN Cc1csc(CCCCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC001492643456 1066739822 /nfs/dbraw/zinc/73/98/22/1066739822.db2.gz JMPKONHWWFEGBT-LJQANCHMSA-N 0 0 494.587 4.599 20 0 JJADRN C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccc1C(F)(F)F ZINC001457007716 1066740020 /nfs/dbraw/zinc/74/00/20/1066740020.db2.gz HMBXFPPRCPUQNH-INIZCTEOSA-N 0 0 451.448 4.955 20 0 JJADRN O=C([C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446789829 1066740110 /nfs/dbraw/zinc/74/01/10/1066740110.db2.gz FPOCYXRONCYDNI-AZUAARDMSA-N 0 0 458.961 4.503 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC001457009335 1066740464 /nfs/dbraw/zinc/74/04/64/1066740464.db2.gz MRDIDLBAGNSZDB-UZTOHYMASA-N 0 0 452.595 4.726 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CCC(C)C)CCO2)n1 ZINC001492644053 1066741174 /nfs/dbraw/zinc/74/11/74/1066741174.db2.gz GKVTULMSUHVQKL-OALUTQOASA-N 0 0 490.674 4.739 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@@H]2CCCCO2)n1 ZINC001492644160 1066741215 /nfs/dbraw/zinc/74/12/15/1066741215.db2.gz YKVIUFSVRZYXNX-NRFANRHFSA-N 0 0 457.619 4.801 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492644332 1066741601 /nfs/dbraw/zinc/74/16/01/1066741601.db2.gz KOJJKEHCKKSSSI-GOSISDBHSA-N 0 0 462.664 4.635 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2nccs2)n1 ZINC001492644219 1066741767 /nfs/dbraw/zinc/74/17/67/1066741767.db2.gz IEKBENQQGLKSDO-MRXNPFEDSA-N 0 0 455.657 4.768 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N(C)Cc2ncc(Cl)n2C)n1 ZINC001492644362 1066742182 /nfs/dbraw/zinc/74/21/82/1066742182.db2.gz LIRGGHSEHOUBPW-UHFFFAOYSA-N 0 0 474.009 4.895 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc[nH]3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492644435 1066742357 /nfs/dbraw/zinc/74/23/57/1066742357.db2.gz OGCRWOUHPYYDEM-SFHVURJKSA-N 0 0 485.658 4.507 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(C)(C)C)n1 ZINC001492644558 1066742642 /nfs/dbraw/zinc/74/26/42/1066742642.db2.gz RSDUAQSODHVCDG-UHFFFAOYSA-N 0 0 475.684 4.619 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C(C)=C/c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457014426 1066742666 /nfs/dbraw/zinc/74/26/66/1066742666.db2.gz JDFSYRCMSHGVTK-VUNQTZOZSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492644513 1066742677 /nfs/dbraw/zinc/74/26/77/1066742677.db2.gz QHCJCUPVVPKNEE-SFHVURJKSA-N 0 0 462.664 4.683 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446807127 1066742773 /nfs/dbraw/zinc/74/27/73/1066742773.db2.gz PULZZJBTNBEDBL-HOCLYGCPSA-N 0 0 457.398 4.855 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001457013982 1066742805 /nfs/dbraw/zinc/74/28/05/1066742805.db2.gz QSEOJBCOESXWNL-XMMPIXPASA-N 0 0 456.652 4.582 20 0 JJADRN COc1cc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001457014485 1066742866 /nfs/dbraw/zinc/74/28/66/1066742866.db2.gz VQKXYQGAHYOLNI-DPFRCYKMSA-N 0 0 453.583 4.579 20 0 JJADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccccc1Nc1ccc(C(C)=O)cc1)CCS2 ZINC001457014631 1066743280 /nfs/dbraw/zinc/74/32/80/1066743280.db2.gz SJNZCTOOTOKLJU-GTUCJRJXSA-N 0 0 452.576 4.580 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001492644731 1066743732 /nfs/dbraw/zinc/74/37/32/1066743732.db2.gz XWRMVDQFRXQPQL-OAQYLSRUSA-N 0 0 480.682 4.782 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@@H](C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492644849 1066743817 /nfs/dbraw/zinc/74/38/17/1066743817.db2.gz CBCDQGWHGJCWBU-DVECYGJZSA-N 0 0 461.676 4.733 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@H](C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492644851 1066743899 /nfs/dbraw/zinc/74/38/99/1066743899.db2.gz CBCDQGWHGJCWBU-YADARESESA-N 0 0 461.676 4.733 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC001492644831 1066743972 /nfs/dbraw/zinc/74/39/72/1066743972.db2.gz BMPHOVWIHAUINB-WMZOPIPTSA-N 0 0 469.577 4.889 20 0 JJADRN Cc1csc(CCCCn2c(N3CCCN(C(=O)c4ccsc4)CC3)nnc2C(C)(C)C)n1 ZINC001492644794 1066743992 /nfs/dbraw/zinc/74/39/92/1066743992.db2.gz AKTINOFJJTWHES-UHFFFAOYSA-N 0 0 486.711 4.777 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001446812659 1066744022 /nfs/dbraw/zinc/74/40/22/1066744022.db2.gz QCSJPVDJZIGWOM-DBVUQKKJSA-N 0 0 469.548 4.684 20 0 JJADRN CN1C(=O)c2ccc(C(=O)NCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc2C1=O ZINC001457018541 1066744460 /nfs/dbraw/zinc/74/44/60/1066744460.db2.gz VSPMRDOBIJHFPK-UHFFFAOYSA-N 0 0 454.404 4.654 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(Br)c1 ZINC001446816920 1066744550 /nfs/dbraw/zinc/74/45/50/1066744550.db2.gz YKZBBJQYBCWXPA-CXAGYDPISA-N 0 0 455.393 4.671 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001492645027 1066744878 /nfs/dbraw/zinc/74/48/78/1066744878.db2.gz IJZZUDMUAHGZOG-UXHICEINSA-N 0 0 467.639 4.826 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001492645026 1066744984 /nfs/dbraw/zinc/74/49/84/1066744984.db2.gz IJZZUDMUAHGZOG-PMACEKPBSA-N 0 0 467.639 4.826 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@H]3CC)c2)cc1 ZINC001457019785 1066744987 /nfs/dbraw/zinc/74/49/87/1066744987.db2.gz WCHQCPICXCMWDX-XMMPIXPASA-N 0 0 450.560 4.993 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446823122 1066744924 /nfs/dbraw/zinc/74/49/24/1066744924.db2.gz JAJPBAUWHIFWBC-NRFANRHFSA-N 0 0 450.501 4.862 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)CC1CCCC1 ZINC001457019941 1066745048 /nfs/dbraw/zinc/74/50/48/1066745048.db2.gz XBLAFYAUFZTRNF-LEWJYISDSA-N 0 0 452.636 4.583 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2Cl)n[nH]1 ZINC001446826009 1066745739 /nfs/dbraw/zinc/74/57/39/1066745739.db2.gz MPEOIJPXLOMFMK-IBGZPJMESA-N 0 0 455.946 4.946 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@@H]2C)c1 ZINC001492645380 1066746015 /nfs/dbraw/zinc/74/60/15/1066746015.db2.gz UDAPNUFHLCTXEM-DFIYOIEZSA-N 0 0 470.639 4.581 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001492645563 1066746539 /nfs/dbraw/zinc/74/65/39/1066746539.db2.gz AFNAUVGXUIAHNM-UHFFFAOYSA-N 0 0 455.603 4.739 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC001457023858 1066746574 /nfs/dbraw/zinc/74/65/74/1066746574.db2.gz BRJYGOQHMPDNIJ-RBUKOAKNSA-N 0 0 454.998 4.584 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC001446843302 1066746751 /nfs/dbraw/zinc/74/67/51/1066746751.db2.gz DALDIROLBBOTFG-IBGZPJMESA-N 0 0 457.562 4.861 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NCCNc2cccc(Br)c2)cc1C ZINC001446839568 1066746852 /nfs/dbraw/zinc/74/68/52/1066746852.db2.gz XOSLGBKDVAWDEB-UHFFFAOYSA-N 0 0 459.413 4.572 20 0 JJADRN Cc1cccc(C)c1OCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457025371 1066746913 /nfs/dbraw/zinc/74/69/13/1066746913.db2.gz FZLQTRIERZCJKS-HSZRJFAPSA-N 0 0 457.979 4.645 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1SCc1cscn1)C2 ZINC001457025588 1066747084 /nfs/dbraw/zinc/74/70/84/1066747084.db2.gz KCRSZHPYZRAEAO-BQFCYCMXSA-N 0 0 459.637 4.953 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457026993 1066747394 /nfs/dbraw/zinc/74/73/94/1066747394.db2.gz GNQOXEYZYHDXJI-JYFHCDHNSA-N 0 0 451.607 4.881 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2(=O)=O)c1 ZINC001492645811 1066747502 /nfs/dbraw/zinc/74/75/02/1066747502.db2.gz JVJGOBXTAKVNHS-QGZVFWFLSA-N 0 0 483.034 4.711 20 0 JJADRN C[C@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457027150 1066747521 /nfs/dbraw/zinc/74/75/21/1066747521.db2.gz LRYKEEXTHPWXAG-INIZCTEOSA-N 0 0 452.904 4.751 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)CC(F)(F)C(F)(F)F)c2ccc(Cl)cc2)c1 ZINC001457026466 1066747550 /nfs/dbraw/zinc/74/75/50/1066747550.db2.gz JIGKRDWGBJUMGU-MRXNPFEDSA-N 0 0 455.832 4.537 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)CC(F)(F)C(F)(F)F)c2ccc(Cl)cc2)c1 ZINC001457026461 1066747573 /nfs/dbraw/zinc/74/75/73/1066747573.db2.gz JIGKRDWGBJUMGU-INIZCTEOSA-N 0 0 455.832 4.537 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457026990 1066747584 /nfs/dbraw/zinc/74/75/84/1066747584.db2.gz GNQOXEYZYHDXJI-BVAGGSTKSA-N 0 0 451.607 4.881 20 0 JJADRN CCC(CC)n1nccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457026888 1066747624 /nfs/dbraw/zinc/74/76/24/1066747624.db2.gz KPYCLGSNUDWNTI-JOCHJYFZSA-N 0 0 459.999 4.821 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc4ccccc4o3)n2CCCNC(=O)C(C)C)c1 ZINC001492645803 1066747616 /nfs/dbraw/zinc/74/76/16/1066747616.db2.gz JLYHVTKOHJEJMN-UHFFFAOYSA-N 0 0 451.596 4.860 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1[nH]c2ccc(C)cc2c1C)c1ccc(OC)c(Br)c1 ZINC001446846785 1066747872 /nfs/dbraw/zinc/74/78/72/1066747872.db2.gz SDPSDXRIGFZSRU-HXUWFJFHSA-N 0 0 459.340 4.590 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC12CCC2 ZINC001446848642 1066747973 /nfs/dbraw/zinc/74/79/73/1066747973.db2.gz VGBGLZKSBWNFDW-OAHLLOKOSA-N 0 0 450.963 4.932 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@H](C)c2cccc(Br)c2)ccn1 ZINC001457027963 1066747913 /nfs/dbraw/zinc/74/79/13/1066747913.db2.gz HXNBTVAOYBJSFI-CQSZACIVSA-N 0 0 454.324 4.738 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@@H](C)c2cccc(Br)c2)ccn1 ZINC001457027954 1066748102 /nfs/dbraw/zinc/74/81/02/1066748102.db2.gz HXNBTVAOYBJSFI-AWEZNQCLSA-N 0 0 454.324 4.738 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3C)c2)cc1 ZINC001446848718 1066748293 /nfs/dbraw/zinc/74/82/93/1066748293.db2.gz YWHPNHXJMUPVNY-UHFFFAOYSA-N 0 0 453.564 4.513 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NC(C)C)c1 ZINC001492646081 1066748369 /nfs/dbraw/zinc/74/83/69/1066748369.db2.gz UZHMDFJWIVSQOH-UHFFFAOYSA-N 0 0 451.640 4.669 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccccc2)c1 ZINC001492646017 1066748450 /nfs/dbraw/zinc/74/84/50/1066748450.db2.gz RRTUSCXXSRWQCQ-JOCHJYFZSA-N 0 0 486.439 4.950 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC001457030476 1066748478 /nfs/dbraw/zinc/74/84/78/1066748478.db2.gz SSXFGDQNCTVDIM-KMDANOTESA-N 0 0 455.023 4.881 20 0 JJADRN CC(C)[C@H](O)C1(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 ZINC001446848713 1066748498 /nfs/dbraw/zinc/74/84/98/1066748498.db2.gz YUHUHDBITNOTDX-FQEVSTJZSA-N 0 0 459.612 4.608 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc(Cl)cn2)c1 ZINC001492646143 1066748882 /nfs/dbraw/zinc/74/88/82/1066748882.db2.gz XCSQDRWWEUXUDR-UHFFFAOYSA-N 0 0 480.823 4.592 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(C)(C)C)c1 ZINC001492646154 1066748906 /nfs/dbraw/zinc/74/89/06/1066748906.db2.gz XSMFKRBBNVLFSA-UHFFFAOYSA-N 0 0 450.616 4.753 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCO[C@@H]2CCOC2)c1 ZINC001492646157 1066748933 /nfs/dbraw/zinc/74/89/33/1066748933.db2.gz XXBDZTXEGRMYGF-LJQANCHMSA-N 0 0 491.455 4.910 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1Br ZINC001457032621 1066749062 /nfs/dbraw/zinc/74/90/62/1066749062.db2.gz ZYAGPAXNOQPBHT-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(C)n3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001492646427 1066749580 /nfs/dbraw/zinc/74/95/80/1066749580.db2.gz HODMJWQKPYZPBT-UHFFFAOYSA-N 0 0 468.627 4.522 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)Cc2csc(-c3ccc(C)cc3)n2)ccn1 ZINC001457038024 1066749907 /nfs/dbraw/zinc/74/99/07/1066749907.db2.gz WXLDGMNWMMHJCH-UHFFFAOYSA-N 0 0 458.543 4.847 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Oc2ccc(Oc3nccs3)cc2)CC1 ZINC001457039012 1066750461 /nfs/dbraw/zinc/75/04/61/1066750461.db2.gz MRDLCSGPVXTMPT-UHFFFAOYSA-N 0 0 451.548 4.805 20 0 JJADRN CCSc1ccc(CC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001457038961 1066750698 /nfs/dbraw/zinc/75/06/98/1066750698.db2.gz XMXKWKWOCLMHBQ-OAHLLOKOSA-N 0 0 457.434 4.571 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001446874316 1066750881 /nfs/dbraw/zinc/75/08/81/1066750881.db2.gz AXORYPWVEWTUGK-UXHICEINSA-N 0 0 450.501 4.802 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001446874312 1066750952 /nfs/dbraw/zinc/75/09/52/1066750952.db2.gz AXORYPWVEWTUGK-PMACEKPBSA-N 0 0 450.501 4.802 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(Br)c(C)c1N ZINC001446873713 1066751023 /nfs/dbraw/zinc/75/10/23/1066751023.db2.gz PLHLPOZIOWZGGW-DIFFPNOSSA-N 0 0 456.178 4.608 20 0 JJADRN O=C(c1ccc(-c2ccccc2F)o1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001457044095 1066751157 /nfs/dbraw/zinc/75/11/57/1066751157.db2.gz KLLSLBPPNJMMTG-UHFFFAOYSA-N 0 0 458.209 4.720 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc4c[nH]nc43)ccc2C)c1 ZINC001457050278 1066751587 /nfs/dbraw/zinc/75/15/87/1066751587.db2.gz WSZLXAIYZLXGBJ-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC001446877641 1066751808 /nfs/dbraw/zinc/75/18/08/1066751808.db2.gz HEDAERQFTICEKI-NSHDSACASA-N 0 0 457.383 4.806 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2CCCc2nnc(C)s2)c1 ZINC001492647590 1066751887 /nfs/dbraw/zinc/75/18/87/1066751887.db2.gz QGRYRZCGCUOXQV-UHFFFAOYSA-N 0 0 456.616 4.807 20 0 JJADRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(Br)ccc1I ZINC001457059253 1066752038 /nfs/dbraw/zinc/75/20/38/1066752038.db2.gz DNSXROFDNPSQIE-DOTOQJQBSA-N 0 0 456.121 4.514 20 0 JJADRN C[C@@H](Cc1cccnc1)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 ZINC001457059241 1066752156 /nfs/dbraw/zinc/75/21/56/1066752156.db2.gz RGEVTMRWMXQOKQ-AWEZNQCLSA-N 0 0 456.315 4.597 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001446880638 1066752347 /nfs/dbraw/zinc/75/23/47/1066752347.db2.gz OENXIHYSQRJPDT-MRXNPFEDSA-N 0 0 456.505 4.722 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001492647732 1066752414 /nfs/dbraw/zinc/75/24/14/1066752414.db2.gz VIAXQZDXSGXLCT-INIZCTEOSA-N 0 0 480.560 4.704 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCCOc2ccc(F)cc2)c1 ZINC001492647798 1066752460 /nfs/dbraw/zinc/75/24/60/1066752460.db2.gz WYYIORBFSXVGSB-UHFFFAOYSA-N 0 0 451.571 4.878 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457059830 1066752621 /nfs/dbraw/zinc/75/26/21/1066752621.db2.gz HEYUCHBBOGOEQK-FHERZECASA-N 0 0 459.509 4.628 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C1(CC)CC ZINC001457059663 1066752643 /nfs/dbraw/zinc/75/26/43/1066752643.db2.gz ZAUHPPOMEJNVGO-OLZOCXBDSA-N 0 0 453.723 4.797 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)c1 ZINC001446880911 1066752852 /nfs/dbraw/zinc/75/28/52/1066752852.db2.gz PUNMSBYDAFABQW-VGOFRKELSA-N 0 0 454.567 4.805 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457061672 1066753091 /nfs/dbraw/zinc/75/30/91/1066753091.db2.gz CGHKCMXNWFNICL-JWQCQUIFSA-N 0 0 451.588 4.770 20 0 JJADRN O=C(c1nn(-c2ccccc2F)cc1Br)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001457062446 1066753169 /nfs/dbraw/zinc/75/31/69/1066753169.db2.gz AHIOXLKXRNCXGW-INIZCTEOSA-N 0 0 458.331 4.717 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)cs2)cc1 ZINC001446884577 1066753278 /nfs/dbraw/zinc/75/32/78/1066753278.db2.gz WTKKHZVUPUKLQI-UHFFFAOYSA-N 0 0 457.596 4.682 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001492648153 1066753346 /nfs/dbraw/zinc/75/33/46/1066753346.db2.gz LISUNNFTNDGUFI-KBAYOESNSA-N 0 0 454.587 4.627 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCCC2)c1 ZINC001492648281 1066753369 /nfs/dbraw/zinc/75/33/69/1066753369.db2.gz PEJSZCCXBXNBTA-FYYLOGMGSA-N 0 0 487.714 4.996 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001492648152 1066753525 /nfs/dbraw/zinc/75/35/25/1066753525.db2.gz LISUNNFTNDGUFI-CGTJXYLNSA-N 0 0 454.587 4.627 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001492648279 1066753582 /nfs/dbraw/zinc/75/35/82/1066753582.db2.gz PBQDOURHELFEAN-UHFFFAOYSA-N 0 0 484.025 4.572 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CCc2cccnc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457065405 1066753691 /nfs/dbraw/zinc/75/36/91/1066753691.db2.gz FIVZXJXMDJMJQT-HSZRJFAPSA-N 0 0 456.995 4.539 20 0 JJADRN Cc1ccc(SCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457067996 1066754042 /nfs/dbraw/zinc/75/40/42/1066754042.db2.gz WCSIBIBXFYPKPS-DEOSSOPVSA-N 0 0 457.592 4.926 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)Cc3ccncc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457067749 1066754085 /nfs/dbraw/zinc/75/40/85/1066754085.db2.gz JJEPJWISTCSOPW-QOAWAWRESA-N 0 0 457.574 4.630 20 0 JJADRN CC(C)(C)c1ccc(CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457067874 1066754153 /nfs/dbraw/zinc/75/41/53/1066754153.db2.gz UZZHPDUIUSOLQJ-RUZDIDTESA-N 0 0 453.579 4.975 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001457067050 1066754212 /nfs/dbraw/zinc/75/42/12/1066754212.db2.gz GOIMPYIYSLBTOX-IBGZPJMESA-N 0 0 458.599 4.937 20 0 JJADRN Cc1ccc(SCCC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457067997 1066754221 /nfs/dbraw/zinc/75/42/21/1066754221.db2.gz WCSIBIBXFYPKPS-XMMPIXPASA-N 0 0 457.592 4.926 20 0 JJADRN O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446892280 1066754333 /nfs/dbraw/zinc/75/43/33/1066754333.db2.gz OPKSYIAQOQIHSR-UHFFFAOYSA-N 0 0 456.514 4.518 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(C)nn(C)c2C)c1 ZINC001492648505 1066754559 /nfs/dbraw/zinc/75/45/59/1066754559.db2.gz YMLKIONZMOZNSV-TZIWHRDSSA-N 0 0 456.660 4.602 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)c1 ZINC001492648498 1066754599 /nfs/dbraw/zinc/75/45/99/1066754599.db2.gz YIYSWEJHKKBRMF-UHFFFAOYSA-N 0 0 474.512 4.778 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)CCCC2)cc1C ZINC001457068108 1066754822 /nfs/dbraw/zinc/75/48/22/1066754822.db2.gz FZZNXJGCDWWHIC-HRFSGMKKSA-N 0 0 469.626 4.708 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC3CC(C)(C)CC(C)(C)C3)ccc2NC1=O ZINC001446904845 1066754654 /nfs/dbraw/zinc/75/46/54/1066754654.db2.gz MWVSIXAAQLEOPU-FQEVSTJZSA-N 0 0 457.615 4.799 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1NC(=O)c1ccccc1 ZINC001446904294 1066754681 /nfs/dbraw/zinc/75/46/81/1066754681.db2.gz RLRWODZMBRANFX-RTBURBONSA-N 0 0 451.567 4.717 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](CC(C)C)C2)n1 ZINC001492648640 1066755009 /nfs/dbraw/zinc/75/50/09/1066755009.db2.gz DGXJEKMZTBVAQD-OAHLLOKOSA-N 0 0 463.449 4.732 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2c(C)noc2C)n1 ZINC001492648713 1066755121 /nfs/dbraw/zinc/75/51/21/1066755121.db2.gz GLAAABPFIHEVBH-UHFFFAOYSA-N 0 0 473.400 4.762 20 0 JJADRN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)c1 ZINC001446907172 1066755256 /nfs/dbraw/zinc/75/52/56/1066755256.db2.gz HVYSPTYPJJIVBW-CYBMUJFWSA-N 0 0 452.001 4.574 20 0 JJADRN Cc1c(C(=O)N[C@@]2(C)CCCOC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001446905951 1066755487 /nfs/dbraw/zinc/75/54/87/1066755487.db2.gz PLQYWFQGLKQHCP-QHCPKHFHSA-N 0 0 457.621 4.501 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 ZINC001457074261 1066755669 /nfs/dbraw/zinc/75/56/69/1066755669.db2.gz MRSHRHCCCGOVFT-UHFFFAOYSA-N 0 0 456.340 4.646 20 0 JJADRN CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC001457073605 1066755707 /nfs/dbraw/zinc/75/57/07/1066755707.db2.gz WLMPYAACTDCPDV-SSEXGKCCSA-N 0 0 450.004 4.559 20 0 JJADRN CCc1nsc(N2CCN(C(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)n1 ZINC001457073110 1066755759 /nfs/dbraw/zinc/75/57/59/1066755759.db2.gz QYHYMHNKVRRWQI-HMMYKYKNSA-N 0 0 456.974 4.782 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492649100 1066755844 /nfs/dbraw/zinc/75/58/44/1066755844.db2.gz RCYYVMATPYWCIY-UHFFFAOYSA-N 0 0 463.554 4.754 20 0 JJADRN C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908611 1066755954 /nfs/dbraw/zinc/75/59/54/1066755954.db2.gz KEVNEZFSGJAUSE-HUUCEWRRSA-N 0 0 452.967 4.584 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2ccc(Cl)c(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457075971 1066756280 /nfs/dbraw/zinc/75/62/80/1066756280.db2.gz OKHICYJLBGBUIS-HSZRJFAPSA-N 0 0 457.979 4.834 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)OC(C)(C)C2)n1 ZINC001492649400 1066756511 /nfs/dbraw/zinc/75/65/11/1066756511.db2.gz ARTXEKIPHJOZID-AWEZNQCLSA-N 0 0 462.417 4.525 20 0 JJADRN COCCOc1ccccc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001457077852 1066756666 /nfs/dbraw/zinc/75/66/66/1066756666.db2.gz QWBHVLMSVIALLP-DEOSSOPVSA-N 0 0 453.922 4.656 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H](C)CSC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079683 1066756804 /nfs/dbraw/zinc/75/68/04/1066756804.db2.gz TVGNYAWZCXKZKJ-IFXJQAMLSA-N 0 0 459.555 4.747 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)n1 ZINC001492649638 1066756908 /nfs/dbraw/zinc/75/69/08/1066756908.db2.gz KIEQSBKVFQJBNM-UHFFFAOYSA-N 0 0 480.682 4.751 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492649622 1066756937 /nfs/dbraw/zinc/75/69/37/1066756937.db2.gz JWLBMLSJCXVMCI-INIZCTEOSA-N 0 0 489.045 4.763 20 0 JJADRN Cc1nc(CCC(=O)N(CCO)[C@H](C)c2ccccc2)oc1-c1ccc(Br)cc1 ZINC001446921856 1066756976 /nfs/dbraw/zinc/75/69/76/1066756976.db2.gz JRAYKYAISVCSOP-QGZVFWFLSA-N 0 0 457.368 4.927 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC001492649668 1066756964 /nfs/dbraw/zinc/75/69/64/1066756964.db2.gz LHYXZMVNDKUZDJ-GOSISDBHSA-N 0 0 473.046 4.543 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCCNC(=O)C2CCC2)n1 ZINC001492649738 1066757032 /nfs/dbraw/zinc/75/70/32/1066757032.db2.gz NHSKQOMJQFBLMY-UHFFFAOYSA-N 0 0 493.464 4.808 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H](C)OC2CCCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457081760 1066757206 /nfs/dbraw/zinc/75/72/06/1066757206.db2.gz WVRPJNQOZWQSQV-CLOONOSVSA-N 0 0 457.636 4.986 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc2cc(C)c(F)cc2s1)c1ccc(Br)cc1 ZINC001457081602 1066757252 /nfs/dbraw/zinc/75/72/52/1066757252.db2.gz QMZOPAMCTIYPJW-OAHLLOKOSA-N 0 0 450.333 4.712 20 0 JJADRN C[C@@H](N1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1)C(F)(F)F ZINC001457081711 1066757312 /nfs/dbraw/zinc/75/73/12/1066757312.db2.gz WMXNMALXZCVWQR-RUAUKMDKSA-N 0 0 454.439 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446928455 1066757616 /nfs/dbraw/zinc/75/76/16/1066757616.db2.gz LJQSGKVIAORGQN-IVAOSVALSA-N 0 0 465.034 4.546 20 0 JJADRN Cc1cccc(OCCCCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457082001 1066757764 /nfs/dbraw/zinc/75/77/64/1066757764.db2.gz XVIWJWOGOOUWAN-AREMUKBSSA-N 0 0 451.588 4.853 20 0 JJADRN Cc1csc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(Br)cc2)n1 ZINC001492650842 1066757948 /nfs/dbraw/zinc/75/79/48/1066757948.db2.gz VRCIYJOPHIUPFB-QGZVFWFLSA-N 0 0 462.417 4.732 20 0 JJADRN Cc1csc(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccc(Br)o2)n1 ZINC001492650467 1066757980 /nfs/dbraw/zinc/75/79/80/1066757980.db2.gz LDXGQGCKBZSCDK-UHFFFAOYSA-N 0 0 476.375 4.813 20 0 JJADRN CCc1cnccc1CNC(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446959344 1066758644 /nfs/dbraw/zinc/75/86/44/1066758644.db2.gz JCRNNGSUWBPENZ-MUUNZHRXSA-N 0 0 457.574 4.968 20 0 JJADRN COc1ccc([C@H](CO)N(C)C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1 ZINC001446958910 1066758685 /nfs/dbraw/zinc/75/86/85/1066758685.db2.gz YSWOWDIWMODCOK-SFHVURJKSA-N 0 0 450.482 4.952 20 0 JJADRN COc1cc(CCC(=O)NC(C)(C)Cc2cccc(Br)c2)cc(OC)c1OC ZINC001457090213 1066759140 /nfs/dbraw/zinc/75/91/40/1066759140.db2.gz HUKCARQLYCGQNE-UHFFFAOYSA-N 0 0 450.373 4.545 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccnc(N2CCCCC2)n1)C(F)(F)F ZINC001457089014 1066759174 /nfs/dbraw/zinc/75/91/74/1066759174.db2.gz LTBFFAYHGZGZIZ-FQEVSTJZSA-N 0 0 459.472 4.730 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3OC(C)C)cc2)cc1 ZINC001446965626 1066759379 /nfs/dbraw/zinc/75/93/79/1066759379.db2.gz WXDCGMXXCIUNQK-UHFFFAOYSA-N 0 0 458.511 4.675 20 0 JJADRN Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001446967965 1066759720 /nfs/dbraw/zinc/75/97/20/1066759720.db2.gz UBHKTIMMXABBOA-RUZDIDTESA-N 0 0 459.546 4.583 20 0 JJADRN CN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(F)c(Cl)c1 ZINC001446973483 1066760421 /nfs/dbraw/zinc/76/04/21/1066760421.db2.gz ODDKBJBGWXCDBO-UHFFFAOYSA-N 0 0 457.918 4.529 20 0 JJADRN Cn1cnn(-c2ccc(NC(=O)c3ccccc3Nc3cccc(C(F)(F)F)c3)cc2)c1=O ZINC001446974494 1066760473 /nfs/dbraw/zinc/76/04/73/1066760473.db2.gz VGYREJKEJAJFLS-UHFFFAOYSA-N 0 0 453.424 4.586 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c2ccccc21 ZINC001457096876 1066760803 /nfs/dbraw/zinc/76/08/03/1066760803.db2.gz MGMOJZDBPVPRMG-INIZCTEOSA-N 0 0 450.466 4.758 20 0 JJADRN Cc1csc(N2CCN(c3nnc(COc4ccc(C)c(C)c4)n3CCSC(C)C)CC2)n1 ZINC001492652763 1066760745 /nfs/dbraw/zinc/76/07/45/1066760745.db2.gz LQYMHSBSBRCGQX-UHFFFAOYSA-N 0 0 486.711 4.707 20 0 JJADRN Cc1nc([C@@H](NC(=O)c2nc(Br)sc2C2CC2)c2ccc(Cl)cc2)no1 ZINC001446980318 1066760857 /nfs/dbraw/zinc/76/08/57/1066760857.db2.gz QOXJRNWNSQFFJB-LBPRGKRZSA-N 0 0 453.749 4.647 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC001457096369 1066760947 /nfs/dbraw/zinc/76/09/47/1066760947.db2.gz GUERAIJUHQPPJX-UHFFFAOYSA-N 0 0 454.514 4.537 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2C(F)(F)F)CCO1 ZINC001546087284 1066761266 /nfs/dbraw/zinc/76/12/66/1066761266.db2.gz JKKAVRVXIPDQIR-JOCHJYFZSA-N 0 0 464.488 4.928 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001446983201 1066761342 /nfs/dbraw/zinc/76/13/42/1066761342.db2.gz FPFSHTCIABXAMD-GJZGRUSLSA-N 0 0 450.004 4.862 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2NC1=O ZINC001457100149 1066761829 /nfs/dbraw/zinc/76/18/29/1066761829.db2.gz XPBGTWLLCZTBQT-SBUREZEXSA-N 0 0 457.530 4.564 20 0 JJADRN Cc1cscc1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492653522 1066761920 /nfs/dbraw/zinc/76/19/20/1066761920.db2.gz BQXYLFZYLGSTQV-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN CCc1cnc(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)s1 ZINC001457100504 1066761906 /nfs/dbraw/zinc/76/19/06/1066761906.db2.gz UOZGTSMLRQWLJQ-QGZVFWFLSA-N 0 0 457.518 4.649 20 0 JJADRN CCc1cnc(CCNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)s1 ZINC001457100423 1066761939 /nfs/dbraw/zinc/76/19/39/1066761939.db2.gz UAPRLLCWXBTRTA-UHFFFAOYSA-N 0 0 450.604 4.692 20 0 JJADRN COCCN(C(=O)C[C@H](C)c1ccc(F)c(Br)c1)c1ccc(OC)c(OC)c1 ZINC001457099618 1066761947 /nfs/dbraw/zinc/76/19/47/1066761947.db2.gz QKVBEOOCLBGANY-AWEZNQCLSA-N 0 0 454.336 4.779 20 0 JJADRN Cc1c(C(=O)NCc2ccccc2N2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001446984474 1066761969 /nfs/dbraw/zinc/76/19/69/1066761969.db2.gz ADXXCYSJGJZYGM-UHFFFAOYSA-N 0 0 453.384 4.864 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446984599 1066762045 /nfs/dbraw/zinc/76/20/45/1066762045.db2.gz GJKMWSYERUFZKE-JKSUJKDBSA-N 0 0 458.584 4.862 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(Br)c1 ZINC001457102098 1066762514 /nfs/dbraw/zinc/76/25/14/1066762514.db2.gz NBXNACJFQDVBLS-MUUNZHRXSA-N 0 0 458.333 4.683 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cn(Cc3cccs3)nn2)c2cc(F)ccc2F)c1 ZINC001457104276 1066762897 /nfs/dbraw/zinc/76/28/97/1066762897.db2.gz HCQCBRWLXUELSR-NRFANRHFSA-N 0 0 456.543 4.907 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492653903 1066762945 /nfs/dbraw/zinc/76/29/45/1066762945.db2.gz PQKAJUOIHAMNBA-CTNGQTDRSA-N 0 0 489.686 4.877 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446991208 1066762951 /nfs/dbraw/zinc/76/29/51/1066762951.db2.gz MYEXJFSGUOSDSO-RYUDHWBXSA-N 0 0 451.778 4.882 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446990225 1066762992 /nfs/dbraw/zinc/76/29/92/1066762992.db2.gz LFRMOBLHCLQNQR-HOTGVXAUSA-N 0 0 458.580 4.656 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001446991407 1066763041 /nfs/dbraw/zinc/76/30/41/1066763041.db2.gz NPNQAIRBIDFTGD-HKBOAZHASA-N 0 0 452.595 4.901 20 0 JJADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446990724 1066763128 /nfs/dbraw/zinc/76/31/28/1066763128.db2.gz OQDIYLAVWTXIOG-MJGOQNOKSA-N 0 0 455.640 4.517 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001492654105 1066763401 /nfs/dbraw/zinc/76/34/01/1066763401.db2.gz MCFJMPQKVKQZFY-UHFFFAOYSA-N 0 0 460.669 4.532 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001492654241 1066763421 /nfs/dbraw/zinc/76/34/21/1066763421.db2.gz UGPCBQAFOWQXRU-UHFFFAOYSA-N 0 0 451.640 4.814 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001446994835 1066763468 /nfs/dbraw/zinc/76/34/68/1066763468.db2.gz QIZOHBHWGDRVHG-HOTGVXAUSA-N 0 0 451.995 4.795 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC001446991563 1066763496 /nfs/dbraw/zinc/76/34/96/1066763496.db2.gz OHYNEFXCHZDRMD-OALUTQOASA-N 0 0 454.615 4.940 20 0 JJADRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001446994332 1066763624 /nfs/dbraw/zinc/76/36/24/1066763624.db2.gz DWEFZMRMDPDRMH-LBPRGKRZSA-N 0 0 458.342 4.594 20 0 JJADRN CCCN(C(=O)c1ccc(I)cn1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001457105867 1066763952 /nfs/dbraw/zinc/76/39/52/1066763952.db2.gz IAOKFOKPYBMGOW-QZTJIDSGSA-N 0 0 456.368 4.666 20 0 JJADRN COC(=O)COc1ccc(C(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1 ZINC001457109367 1066764000 /nfs/dbraw/zinc/76/40/00/1066764000.db2.gz LYAMOZVTCUFDTD-HSZRJFAPSA-N 0 0 457.498 4.758 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991465 1066764029 /nfs/dbraw/zinc/76/40/29/1066764029.db2.gz OWMCAXSYZMIYBF-SBUREZEXSA-N 0 0 451.640 4.627 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492654702 1066764226 /nfs/dbraw/zinc/76/42/26/1066764226.db2.gz ZIEZKKQDRHJXQB-KSSFIOAISA-N 0 0 489.045 4.761 20 0 JJADRN Cc1cscc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492654716 1066764263 /nfs/dbraw/zinc/76/42/63/1066764263.db2.gz ZRXLBMCSYOTZMU-MOPGFXCFSA-N 0 0 484.670 4.831 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492654574 1066764360 /nfs/dbraw/zinc/76/43/60/1066764360.db2.gz WXAKNJGXWCQDLO-GOSISDBHSA-N 0 0 489.045 4.857 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2)n1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001457109941 1066764328 /nfs/dbraw/zinc/76/43/28/1066764328.db2.gz PPIYCWPCGHWQPS-GOSISDBHSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492655167 1066765286 /nfs/dbraw/zinc/76/52/86/1066765286.db2.gz MARZUOJOCZXVOF-GASCZTMLSA-N 0 0 490.471 4.946 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492655028 1066765364 /nfs/dbraw/zinc/76/53/64/1066765364.db2.gz KZMOOSBHLBAOHN-DYESRHJHSA-N 0 0 473.618 4.734 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)Cn1cc(Cl)cn1 ZINC001457116391 1066765913 /nfs/dbraw/zinc/76/59/13/1066765913.db2.gz WAKVCPJSZQQHBG-UHFFFAOYSA-N 0 0 450.764 4.768 20 0 JJADRN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)CC(=O)N2C(C)(C)C)cn1 ZINC001457116156 1066765947 /nfs/dbraw/zinc/76/59/47/1066765947.db2.gz VBBMDEQECFIJAR-OXQOHEQNSA-N 0 0 453.612 4.654 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1noc2c1COCC2 ZINC001457117333 1066766058 /nfs/dbraw/zinc/76/60/58/1066766058.db2.gz ZAPBMWKGYVSVHI-UHFFFAOYSA-N 0 0 459.340 4.593 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCOc4c(F)cccc43)c2)cc1 ZINC001447015966 1066766105 /nfs/dbraw/zinc/76/61/05/1066766105.db2.gz TTZOUAKARFLQMH-JOCHJYFZSA-N 0 0 454.523 4.579 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001492655342 1066766264 /nfs/dbraw/zinc/76/62/64/1066766264.db2.gz IBFDETCFXARIHR-GOSISDBHSA-N 0 0 463.573 4.554 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001492654862 1066766324 /nfs/dbraw/zinc/76/63/24/1066766324.db2.gz FNOSUHDOHSHPKM-KRWDZBQOSA-N 0 0 482.654 4.707 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546087388 1066766434 /nfs/dbraw/zinc/76/64/34/1066766434.db2.gz LITDYJUOBOHEGA-GYCJOSAFSA-N 0 0 494.036 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)N[C@H]3CCCOc4c(F)cccc43)cccc2C1 ZINC001447017529 1066766721 /nfs/dbraw/zinc/76/67/21/1066766721.db2.gz UYFOKKQEKVETDF-QFIPXVFZSA-N 0 0 454.542 4.692 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCCCC2)s1 ZINC001492655636 1066766778 /nfs/dbraw/zinc/76/67/78/1066766778.db2.gz UWSHWNJZBZHABX-UHFFFAOYSA-N 0 0 473.046 4.558 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccccn2)s1 ZINC001492655607 1066766851 /nfs/dbraw/zinc/76/68/51/1066766851.db2.gz UOGCZEZEQDEUJC-KRWDZBQOSA-N 0 0 466.586 4.905 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CCCCCO)s1 ZINC001492655826 1066767432 /nfs/dbraw/zinc/76/74/32/1066767432.db2.gz YPQFYYMUJJDJQD-UHFFFAOYSA-N 0 0 478.460 4.622 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c(C)c1 ZINC001457125489 1066767741 /nfs/dbraw/zinc/76/77/41/1066767741.db2.gz AEXWHNJETDNLJV-VWLOTQADSA-N 0 0 457.542 4.824 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001447026327 1066767904 /nfs/dbraw/zinc/76/79/04/1066767904.db2.gz JQVKOAFGIJFKFI-SFHVURJKSA-N 0 0 457.398 4.806 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cc(=O)n(C)cc2Br)cc1 ZINC001457127201 1066768102 /nfs/dbraw/zinc/76/81/02/1066768102.db2.gz QFDRVZXTTQMFKL-OAHLLOKOSA-N 0 0 455.352 4.657 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCCC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC001492656303 1066768412 /nfs/dbraw/zinc/76/84/12/1066768412.db2.gz DCIAFZXXFKNIBY-QGZVFWFLSA-N 0 0 487.695 4.853 20 0 JJADRN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001457130371 1066768688 /nfs/dbraw/zinc/76/86/88/1066768688.db2.gz YJTPVYVNBDRGHV-LLVKDONJSA-N 0 0 459.237 4.989 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC001457129377 1066768797 /nfs/dbraw/zinc/76/87/97/1066768797.db2.gz ANPJTWHDRGXJRL-UHFFFAOYSA-N 0 0 452.885 4.968 20 0 JJADRN CCCN(CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1)C(=O)OC(C)(C)C ZINC001447049912 1066769081 /nfs/dbraw/zinc/76/90/81/1066769081.db2.gz SDQGASGMWQAPIT-UHFFFAOYSA-N 0 0 452.555 4.818 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)c1=O ZINC001457132666 1066769154 /nfs/dbraw/zinc/76/91/54/1066769154.db2.gz XSXRUHSEBGFGJY-UHFFFAOYSA-N 0 0 457.574 4.936 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001457130950 1066769199 /nfs/dbraw/zinc/76/91/99/1066769199.db2.gz UCIPTCLDLALNCF-WJOKGBTCSA-N 0 0 453.951 4.795 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492656862 1066769377 /nfs/dbraw/zinc/76/93/77/1066769377.db2.gz NSQBUTQKBLLTPA-UHFFFAOYSA-N 0 0 459.019 4.590 20 0 JJADRN CCCc1sc(C(=O)N2CCC(CC(F)F)(C(=O)OCC)CC2)cc1Br ZINC001457134535 1066769535 /nfs/dbraw/zinc/76/95/35/1066769535.db2.gz LGLJNXHVYLYXLO-UHFFFAOYSA-N 0 0 452.361 4.904 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC001447052137 1066769664 /nfs/dbraw/zinc/76/96/64/1066769664.db2.gz NUDDRUSCQUVXDF-KKSFZXQISA-N 0 0 450.551 4.781 20 0 JJADRN O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001447053189 1066769671 /nfs/dbraw/zinc/76/96/71/1066769671.db2.gz NYWFCBCIRLRKDB-UHFFFAOYSA-N 0 0 456.514 4.965 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC001447051114 1066769706 /nfs/dbraw/zinc/76/97/06/1066769706.db2.gz JFKMYVLHWZAEAM-IBGZPJMESA-N 0 0 457.578 4.759 20 0 JJADRN Cc1cc(C)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)cc1I ZINC001457134309 1066769741 /nfs/dbraw/zinc/76/97/41/1066769741.db2.gz BBUYBMITXNOLHM-KRWDZBQOSA-N 0 0 457.315 4.549 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccc(Br)cc3)nnc2N2CC=CCC2)s1 ZINC001492656966 1066769901 /nfs/dbraw/zinc/76/99/01/1066769901.db2.gz KGCBBNHDULYOLK-UHFFFAOYSA-N 0 0 474.428 4.702 20 0 JJADRN Cc1nc(C)c(CCn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492656936 1066769948 /nfs/dbraw/zinc/76/99/48/1066769948.db2.gz IUDALSPJDRJUED-UHFFFAOYSA-N 0 0 467.483 4.868 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC001457136460 1066770123 /nfs/dbraw/zinc/77/01/23/1066770123.db2.gz SANIRRZJPQPJOM-UHFFFAOYSA-N 0 0 456.686 4.682 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(O)c1 ZINC001447065630 1066770185 /nfs/dbraw/zinc/77/01/85/1066770185.db2.gz ZBTWAMMTZSCMIN-UHFFFAOYSA-N 0 0 457.280 4.771 20 0 JJADRN COc1ccc(CN(CCO)C(=O)c2ccc(-c3nc4ccccc4s3)s2)c(OC)c1 ZINC001447062416 1066770263 /nfs/dbraw/zinc/77/02/63/1066770263.db2.gz WMEOSSIMEBXQME-UHFFFAOYSA-N 0 0 454.573 4.677 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(O)c1 ZINC001447056788 1066770292 /nfs/dbraw/zinc/77/02/92/1066770292.db2.gz BSTLVSFXLXNTCL-UHFFFAOYSA-N 0 0 456.545 4.614 20 0 JJADRN CC(C)(CO)N1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 ZINC001447061141 1066770375 /nfs/dbraw/zinc/77/03/75/1066770375.db2.gz MFCKGSJTMRIYCW-UHFFFAOYSA-N 0 0 453.435 4.814 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)s1 ZINC001492657113 1066770391 /nfs/dbraw/zinc/77/03/91/1066770391.db2.gz RVNRVTGUFJQFTG-GOSISDBHSA-N 0 0 476.046 4.657 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)s1 ZINC001492657115 1066770519 /nfs/dbraw/zinc/77/05/19/1066770519.db2.gz RVNRVTGUFJQFTG-SFHVURJKSA-N 0 0 476.046 4.657 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 ZINC001546087086 1066770568 /nfs/dbraw/zinc/77/05/68/1066770568.db2.gz FXCXAKYDMBLMBO-HHHXNRCGSA-N 0 0 467.658 4.506 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 ZINC001546087087 1066770588 /nfs/dbraw/zinc/77/05/88/1066770588.db2.gz FXCXAKYDMBLMBO-MHZLTWQESA-N 0 0 467.658 4.506 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C)s1 ZINC001492657599 1066771077 /nfs/dbraw/zinc/77/10/77/1066771077.db2.gz YCWBTTMWEKEBDX-QFBILLFUSA-N 0 0 474.675 4.697 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)C[C@@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492657725 1066771433 /nfs/dbraw/zinc/77/14/33/1066771433.db2.gz XYXKEWDTJZASAP-NIYFSFCBSA-N 0 0 483.682 4.875 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1)c1ccccc1 ZINC001545992317 1066771429 /nfs/dbraw/zinc/77/14/29/1066771429.db2.gz HLTGIWYAXHBQHW-GGAORHGYSA-N 0 0 481.641 4.937 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(Br)o2)s1 ZINC001492657942 1066772096 /nfs/dbraw/zinc/77/20/96/1066772096.db2.gz GTQOODHCDJKQED-HNNXBMFYSA-N 0 0 466.405 4.633 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCc4ccc(Cl)cc4C3)c2)c1 ZINC001447100904 1066772633 /nfs/dbraw/zinc/77/26/33/1066772633.db2.gz FPXGGVJTWWVLTB-UHFFFAOYSA-N 0 0 454.979 4.956 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001447100971 1066772654 /nfs/dbraw/zinc/77/26/54/1066772654.db2.gz HEEWSGOUYVNVDZ-CYFREDJKSA-N 0 0 452.595 4.867 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)s1 ZINC001492658626 1066772974 /nfs/dbraw/zinc/77/29/74/1066772974.db2.gz UUBFCEYZFMTPPV-KRWDZBQOSA-N 0 0 487.073 4.851 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492658597 1066773034 /nfs/dbraw/zinc/77/30/34/1066773034.db2.gz UDNSOPNJFIVJGM-GOSISDBHSA-N 0 0 474.675 4.798 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1 ZINC001457146958 1066773173 /nfs/dbraw/zinc/77/31/73/1066773173.db2.gz DRQZYIJCNJAUBW-ZDUSSCGKSA-N 0 0 456.474 4.722 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545992696 1066773285 /nfs/dbraw/zinc/77/32/85/1066773285.db2.gz MACMMGKROUIYJF-JDITYXQVSA-N 0 0 485.629 4.720 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492658746 1066773601 /nfs/dbraw/zinc/77/36/01/1066773601.db2.gz JFLYACPLZIDUCS-WMZOPIPTSA-N 0 0 459.591 4.542 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccc(Br)cc2Cl)[C@H](CO)C(C)C)cc1 ZINC001447104315 1066773806 /nfs/dbraw/zinc/77/38/06/1066773806.db2.gz BGEXQVWXOLUEKY-HXUWFJFHSA-N 0 0 454.792 4.699 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)[C@H](CO)C(C)C)cc1 ZINC001447109036 1066774380 /nfs/dbraw/zinc/77/43/80/1066774380.db2.gz MXZTWVOEUQABBL-HSZRJFAPSA-N 0 0 456.583 4.726 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(CC(C)C)C(C)C)s1 ZINC001492659031 1066774781 /nfs/dbraw/zinc/77/47/81/1066774781.db2.gz OBQYFAPLISZYQK-UHFFFAOYSA-N 0 0 475.062 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001457159897 1066775629 /nfs/dbraw/zinc/77/56/29/1066775629.db2.gz CKLSIEIXRFQYIT-YOEHRIQHSA-N 0 0 453.322 4.671 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)n1 ZINC001457157863 1066775710 /nfs/dbraw/zinc/77/57/10/1066775710.db2.gz VMRGPJXUKVDRNW-CYBMUJFWSA-N 0 0 450.882 4.657 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC001447114637 1066775667 /nfs/dbraw/zinc/77/56/67/1066775667.db2.gz UJLWRIRCMODNLR-OAHLLOKOSA-N 0 0 459.641 4.784 20 0 JJADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001457161499 1066776301 /nfs/dbraw/zinc/77/63/01/1066776301.db2.gz KJMPQQDRMFRJLS-DENIHFKCSA-N 0 0 458.624 4.870 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccncc3)nnc2N(C)CCc2ccc(Br)cc2)s1 ZINC001492659687 1066776891 /nfs/dbraw/zinc/77/68/91/1066776891.db2.gz JRLUOMRYVULCAM-UHFFFAOYSA-N 0 0 497.466 4.827 20 0 JJADRN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1NC(=O)c1ccco1 ZINC001447138192 1066777330 /nfs/dbraw/zinc/77/73/30/1066777330.db2.gz WUGQRQWTTYYFSY-OAQYLSRUSA-N 0 0 456.445 4.655 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC001447131198 1066777463 /nfs/dbraw/zinc/77/74/63/1066777463.db2.gz MVUSCJJGERUAFD-LJQANCHMSA-N 0 0 455.885 4.953 20 0 JJADRN Cc1nc(C)c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCSCC2)s1 ZINC001492660165 1066777326 /nfs/dbraw/zinc/77/73/26/1066777326.db2.gz JDWSSWHUPIJAQJ-UHFFFAOYSA-N 0 0 452.074 4.899 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492660666 1066777935 /nfs/dbraw/zinc/77/79/35/1066777935.db2.gz YUNTXARRDHATRL-OAQYLSRUSA-N 0 0 496.681 4.792 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)n2)c1 ZINC001457166923 1066777954 /nfs/dbraw/zinc/77/79/54/1066777954.db2.gz FTTFQTXOGFEKRF-CQSZACIVSA-N 0 0 450.520 4.580 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545993209 1066778576 /nfs/dbraw/zinc/77/85/76/1066778576.db2.gz TVLAPQSDHHFGFV-MOXWOTFGSA-N 0 0 485.629 4.719 20 0 JJADRN Cc1ccc(C2(C(=O)NCCCc3nnc4n3CCCC4)CCCCC2)c(Br)c1 ZINC001447156245 1066778697 /nfs/dbraw/zinc/77/86/97/1066778697.db2.gz DLISUIMQOOQVSO-UHFFFAOYSA-N 0 0 459.432 4.636 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001492660732 1066778637 /nfs/dbraw/zinc/77/86/37/1066778637.db2.gz STQZCSTXIHLPEU-WSTZPKSXSA-N 0 0 463.717 4.896 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccc(Cn2ccnn2)cc1 ZINC001457169743 1066779078 /nfs/dbraw/zinc/77/90/78/1066779078.db2.gz QEHXUHRANHKDBT-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)cc1C(=O)OC ZINC001457170234 1066779186 /nfs/dbraw/zinc/77/91/86/1066779186.db2.gz HLIMULUWHHVOEH-UHFFFAOYSA-N 0 0 454.306 4.610 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1C(=O)OC ZINC001457169973 1066779264 /nfs/dbraw/zinc/77/92/64/1066779264.db2.gz FYRDAXIQDOXCHM-NRFANRHFSA-N 0 0 453.878 4.672 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001492661109 1066779683 /nfs/dbraw/zinc/77/96/83/1066779683.db2.gz CXLDIQAGKVDWND-VGSWGCGISA-N 0 0 469.655 4.612 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001447167000 1066779697 /nfs/dbraw/zinc/77/96/97/1066779697.db2.gz FGJJVMGXHHHBTC-FQEVSTJZSA-N 0 0 455.942 4.916 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001447168144 1066779708 /nfs/dbraw/zinc/77/97/08/1066779708.db2.gz GYCIULBEHYOMPD-KRWDZBQOSA-N 0 0 453.322 4.910 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001546088071 1066780253 /nfs/dbraw/zinc/78/02/53/1066780253.db2.gz ZDCGSFOLQJGWBS-QFIPXVFZSA-N 0 0 479.025 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@](C)(O)c2ccc(F)cc2)cs1 ZINC001492661298 1066780271 /nfs/dbraw/zinc/78/02/71/1066780271.db2.gz HJEUDIRQVIQNCP-NPMXOYFQSA-N 0 0 471.627 4.940 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1 ZINC001457173702 1066780268 /nfs/dbraw/zinc/78/02/68/1066780268.db2.gz XYXLQYPRMRKTFK-RXFWQSSRSA-N 0 0 458.599 4.828 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)c1C(F)F ZINC001447170544 1066780293 /nfs/dbraw/zinc/78/02/93/1066780293.db2.gz ROOKGBVCAGPMLQ-UHFFFAOYSA-N 0 0 459.522 4.515 20 0 JJADRN CN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)[C@H]1CCSC1 ZINC001447169708 1066780328 /nfs/dbraw/zinc/78/03/28/1066780328.db2.gz OCLBJJLWZQEMHH-GAJHUEQPSA-N 0 0 452.620 4.904 20 0 JJADRN COc1cc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)ccc1Br ZINC001457178568 1066780639 /nfs/dbraw/zinc/78/06/39/1066780639.db2.gz MMUAGORTCKSTDN-GOSISDBHSA-N 0 0 453.745 4.679 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC001457176998 1066780672 /nfs/dbraw/zinc/78/06/72/1066780672.db2.gz VIPSDCYCHVYMGU-KNXALSJPSA-N 0 0 467.324 4.556 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)n2)c1 ZINC001457173907 1066780682 /nfs/dbraw/zinc/78/06/82/1066780682.db2.gz ZQOZTSIERRQNGW-GFCCVEGCSA-N 0 0 458.305 4.729 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492661664 1066780769 /nfs/dbraw/zinc/78/07/69/1066780769.db2.gz KULGMDLRILHAKQ-GDBMZVCRSA-N 0 0 466.611 4.945 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCCCn2ccnc2C)cs1 ZINC001492661599 1066780832 /nfs/dbraw/zinc/78/08/32/1066780832.db2.gz KDOXKUGVYRWEAC-QGZVFWFLSA-N 0 0 467.618 4.956 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545993342 1066780848 /nfs/dbraw/zinc/78/08/48/1066780848.db2.gz VTKMDMHYNVEWQD-BEFAXECRSA-N 0 0 493.427 4.676 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492661976 1066781303 /nfs/dbraw/zinc/78/13/03/1066781303.db2.gz ODXRHUKPAHBBDP-AUBNHFNSSA-N 0 0 475.659 4.707 20 0 JJADRN C[C@@H](OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457183712 1066781699 /nfs/dbraw/zinc/78/16/99/1066781699.db2.gz HUTCMJJRQKVCFJ-VGMNTSGFSA-N 0 0 451.954 4.783 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC(=O)NC2CCCCC2)cs1 ZINC001492662231 1066781801 /nfs/dbraw/zinc/78/18/01/1066781801.db2.gz QRIPZGJPRYODHT-HNNXBMFYSA-N 0 0 488.608 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CCc2cccs2)cs1 ZINC001492662668 1066782246 /nfs/dbraw/zinc/78/22/46/1066782246.db2.gz WTQOYJCMFAWEKA-HEJPQYQCSA-N 0 0 485.704 4.873 20 0 JJADRN C[C@@H](CC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)NC(=O)C1CCCC1 ZINC001447201881 1066782392 /nfs/dbraw/zinc/78/23/92/1066782392.db2.gz QLIPWQOUOBBOPW-AWEZNQCLSA-N 0 0 454.518 4.567 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 ZINC001447206936 1066782856 /nfs/dbraw/zinc/78/28/56/1066782856.db2.gz PHYGWGGVCOVSMQ-OAQYLSRUSA-N 0 0 458.558 4.813 20 0 JJADRN CN(C)[C@H](C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1c(F)cccc1Cl ZINC001457190678 1066783332 /nfs/dbraw/zinc/78/33/32/1066783332.db2.gz ALVSFUBDFOIJHR-UZLBHIALSA-N 0 0 456.002 4.625 20 0 JJADRN C[C@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccc(F)cc1OC(F)F ZINC001447228892 1066783295 /nfs/dbraw/zinc/78/32/95/1066783295.db2.gz KDYABQRXOVOYBV-LBPRGKRZSA-N 0 0 459.449 4.655 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Br)cc4Cl)n3CCC(C)C)CCO2)no1 ZINC001492663401 1066783337 /nfs/dbraw/zinc/78/33/37/1066783337.db2.gz YKGUECZOYNQQNS-KRWDZBQOSA-N 0 0 495.809 4.676 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC001447226286 1066783392 /nfs/dbraw/zinc/78/33/92/1066783392.db2.gz HEYAQCAFPTYLJR-FQEVSTJZSA-N 0 0 452.576 4.892 20 0 JJADRN C[C@](Cc1nc2ccccc2s1)(C(=O)N[C@@H](CO)c1cc(F)ccc1F)c1ccccc1 ZINC001457192863 1066783769 /nfs/dbraw/zinc/78/37/69/1066783769.db2.gz RLOJROMPLXLUGB-SQJMNOBHSA-N 0 0 452.526 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001457192273 1066783960 /nfs/dbraw/zinc/78/39/60/1066783960.db2.gz JYPHPYYXPIWZOQ-HDICACEKSA-N 0 0 451.405 4.823 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CCCC(F)(F)F)cs1 ZINC001492663756 1066784099 /nfs/dbraw/zinc/78/40/99/1066784099.db2.gz IVLYZSCIUDOQNK-MRXNPFEDSA-N 0 0 494.587 4.632 20 0 JJADRN COC(=O)COc1ccc(C(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1 ZINC001457194506 1066784484 /nfs/dbraw/zinc/78/44/84/1066784484.db2.gz HMIFTAULDXLPGX-QHCPKHFHSA-N 0 0 457.498 4.758 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001447235969 1066784614 /nfs/dbraw/zinc/78/46/14/1066784614.db2.gz ZDNZSBQPOGUZES-QHCPKHFHSA-N 0 0 453.542 4.834 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252278 1066784949 /nfs/dbraw/zinc/78/49/49/1066784949.db2.gz PAGVYSUSBNVDRA-KRWDZBQOSA-N 0 0 458.274 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H]2CCCCS2)cs1 ZINC001492664520 1066784972 /nfs/dbraw/zinc/78/49/72/1066784972.db2.gz MCXVODUGFVGXLO-LJQANCHMSA-N 0 0 491.086 4.648 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001457196608 1066785053 /nfs/dbraw/zinc/78/50/53/1066785053.db2.gz GIOKAZOXLJFHQY-IBGZPJMESA-N 0 0 453.995 4.817 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)c1 ZINC001447262762 1066785408 /nfs/dbraw/zinc/78/54/08/1066785408.db2.gz QWNBTICALOXUJW-AVRDEDQJSA-N 0 0 454.357 4.956 20 0 JJADRN O=C(N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)C1(c2ccccc2Br)CC1 ZINC001447255369 1066785623 /nfs/dbraw/zinc/78/56/23/1066785623.db2.gz SRGGTXCFWQIBGD-GOSISDBHSA-N 0 0 452.295 4.682 20 0 JJADRN CCc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)cnn1CC(C)C ZINC001447260631 1066785636 /nfs/dbraw/zinc/78/56/36/1066785636.db2.gz ARQKFSQXBBOKCW-UHFFFAOYSA-N 0 0 458.559 4.602 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1[nH]nc(-c2ccccc2)c1Br ZINC001447268521 1066786113 /nfs/dbraw/zinc/78/61/13/1066786113.db2.gz NTWRDELMAHYRHO-IBGZPJMESA-N 0 0 451.299 4.893 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1csc(N(C)C)n1 ZINC001457198222 1066786135 /nfs/dbraw/zinc/78/61/35/1066786135.db2.gz JXMFDGBWEVVEQP-UHFFFAOYSA-N 0 0 452.964 4.554 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2Cc2ccc(F)cn2)cs1 ZINC001492665272 1066786250 /nfs/dbraw/zinc/78/62/50/1066786250.db2.gz CAUWIMKYFMMQHZ-UHFFFAOYSA-N 0 0 476.503 4.871 20 0 JJADRN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC001447268288 1066786341 /nfs/dbraw/zinc/78/63/41/1066786341.db2.gz YHVLXIIWXIANTP-ZEQRLZLVSA-N 0 0 454.636 4.621 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199502 1066786684 /nfs/dbraw/zinc/78/66/84/1066786684.db2.gz SRLGTVLXYJSLSU-RTBURBONSA-N 0 0 455.640 4.566 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3ccc(SC(F)F)cc3)CCCC2)cc1OC ZINC001457199479 1066786865 /nfs/dbraw/zinc/78/68/65/1066786865.db2.gz QABHDLPAWSQJRS-UHFFFAOYSA-N 0 0 450.507 4.700 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001457201764 1066787391 /nfs/dbraw/zinc/78/73/91/1066787391.db2.gz FTWUPGSZCHEEIU-OAQYLSRUSA-N 0 0 451.654 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001457201801 1066787773 /nfs/dbraw/zinc/78/77/73/1066787773.db2.gz QOQWNQLQWMMABT-OUDXUNEISA-N 0 0 479.662 4.852 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@H]2CSCCS2)cs1 ZINC001492665817 1066787765 /nfs/dbraw/zinc/78/77/65/1066787765.db2.gz AOMALGQZZQLUAS-HNNXBMFYSA-N 0 0 485.626 4.536 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N[C@H](C)c3nnc(C(C)C)[nH]3)c12 ZINC001447286267 1066787996 /nfs/dbraw/zinc/78/79/96/1066787996.db2.gz MAPHQJXYIGQMGS-GFCCVEGCSA-N 0 0 458.444 4.950 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3Cl)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492665895 1066788215 /nfs/dbraw/zinc/78/82/15/1066788215.db2.gz WWBRNTCYRKDKKS-OAHLLOKOSA-N 0 0 491.061 4.837 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CCc2ccncc2)cs1 ZINC001492665950 1066788758 /nfs/dbraw/zinc/78/87/58/1066788758.db2.gz CSDQSGABSZITHY-UHFFFAOYSA-N 0 0 470.549 4.509 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2Cc2ccsc2Br)cs1 ZINC001492665982 1066789057 /nfs/dbraw/zinc/78/90/57/1066789057.db2.gz DGKGZVSSPWOUGZ-UHFFFAOYSA-N 0 0 495.497 4.907 20 0 JJADRN COc1ccc(Cl)cc1NCCC(=O)Nc1cc(C(N)=O)ccc1NCc1ccccc1 ZINC001447302986 1066789244 /nfs/dbraw/zinc/78/92/44/1066789244.db2.gz KOPNRKXKNAKXMT-UHFFFAOYSA-N 0 0 452.942 4.500 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cc2cnc3ccccc3n2)c1 ZINC001447304590 1066789346 /nfs/dbraw/zinc/78/93/46/1066789346.db2.gz FMVLDXXHTDYXRA-CCLHPLFOSA-N 0 0 455.558 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001457204416 1066789305 /nfs/dbraw/zinc/78/93/05/1066789305.db2.gz WKAXHVKBQSBJHK-QFQXNSOFSA-N 0 0 452.599 4.714 20 0 JJADRN CCC1(CNC(=O)[C@H](CCSC)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001457207247 1066789733 /nfs/dbraw/zinc/78/97/33/1066789733.db2.gz JFIWJKGQAXCEJQ-QHCPKHFHSA-N 0 0 452.620 4.953 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2cc(C(C)(C)C)no2)cs1 ZINC001492666148 1066789961 /nfs/dbraw/zinc/78/99/61/1066789961.db2.gz IUDOUUFBZISSFN-UHFFFAOYSA-N 0 0 472.565 4.882 20 0 JJADRN CC[C@H](C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001447313063 1066790493 /nfs/dbraw/zinc/79/04/93/1066790493.db2.gz ALEFCIPMIMGUTO-GOSISDBHSA-N 0 0 451.962 4.768 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457208555 1066790747 /nfs/dbraw/zinc/79/07/47/1066790747.db2.gz PWJSZUMJDVFIFY-XJKSGUPXSA-N 0 0 451.361 4.961 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC001447315821 1066790819 /nfs/dbraw/zinc/79/08/19/1066790819.db2.gz PSDTWNXERPIUNX-YPAWHYETSA-N 0 0 451.485 4.648 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001457208522 1066790849 /nfs/dbraw/zinc/79/08/49/1066790849.db2.gz PSQBOPFZLZIJMG-CRAIPNDOSA-N 0 0 454.995 4.903 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2Cc2ccc(F)c(F)c2)cs1 ZINC001492666329 1066791096 /nfs/dbraw/zinc/79/10/96/1066791096.db2.gz PTMUQBVYFKQWIE-UHFFFAOYSA-N 0 0 494.365 4.952 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](C)[C@@H]3CNC(=O)OC(C)(C)C)s2)cc1 ZINC001457209521 1066791250 /nfs/dbraw/zinc/79/12/50/1066791250.db2.gz UGSWHQWSRWDYRK-BEFAXECRSA-N 0 0 459.612 4.893 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457210086 1066791259 /nfs/dbraw/zinc/79/12/59/1066791259.db2.gz UJOUXFNXGAXMNG-HNNXBMFYSA-N 0 0 450.766 4.913 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(-c3ccccc3OC)on2)c1 ZINC001447317546 1066791497 /nfs/dbraw/zinc/79/14/97/1066791497.db2.gz QTCXYLGVJPAFEA-XMMPIXPASA-N 0 0 458.514 4.735 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)CCO2)cc1OC ZINC001457212164 1066791631 /nfs/dbraw/zinc/79/16/31/1066791631.db2.gz HYFSCMKEUYCDES-OTJDAXFFSA-N 0 0 457.395 4.772 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCc3cn4cccc(C)c4n3)c2)cc1 ZINC001457212034 1066791711 /nfs/dbraw/zinc/79/17/11/1066791711.db2.gz YHVQNYWJZKHBJV-UHFFFAOYSA-N 0 0 455.558 4.716 20 0 JJADRN Cn1c2ccc(NC(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)cc2nc1C(C)(C)C ZINC001447321539 1066791889 /nfs/dbraw/zinc/79/18/89/1066791889.db2.gz YTAZUUQOPVAFIN-RUZDIDTESA-N 0 0 452.530 4.560 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@](C)(O)c2ccccc2Cl)cs1 ZINC001492666501 1066792049 /nfs/dbraw/zinc/79/20/49/1066792049.db2.gz WKGLQJKXKRUBFT-QFIPXVFZSA-N 0 0 489.070 4.596 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CCO2)cc1OC ZINC001457216240 1066792167 /nfs/dbraw/zinc/79/21/67/1066792167.db2.gz XEWXPRXBBNNBLC-KEWOFRHOSA-N 0 0 455.860 4.903 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc3c([nH]2)c(Br)ccc3C)n1C ZINC001457212252 1066792185 /nfs/dbraw/zinc/79/21/85/1066792185.db2.gz BCQJPBHQCBDITJ-SFHVURJKSA-N 0 0 458.356 4.731 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2cc(Br)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447325201 1066792327 /nfs/dbraw/zinc/79/23/27/1066792327.db2.gz ARXFHBCFTYXLGW-KDOFPFPSSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001492666864 1066792334 /nfs/dbraw/zinc/79/23/34/1066792334.db2.gz KIESXKXXYIEVPP-HNNXBMFYSA-N 0 0 486.589 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)C1 ZINC001447322830 1066792536 /nfs/dbraw/zinc/79/25/36/1066792536.db2.gz SCVVSNQTCJQERT-NSHDSACASA-N 0 0 456.768 4.713 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC[C@H](C)c2ccccc21 ZINC001457217658 1066792635 /nfs/dbraw/zinc/79/26/35/1066792635.db2.gz HLJPLKRZBHPNGW-LFVRLGFBSA-N 0 0 455.352 4.555 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457217737 1066792668 /nfs/dbraw/zinc/79/26/68/1066792668.db2.gz NLEXGJVXIQBPLQ-AZUAARDMSA-N 0 0 453.539 4.600 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC[C@H](C)c2ccccc21 ZINC001457217662 1066792688 /nfs/dbraw/zinc/79/26/88/1066792688.db2.gz HLJPLKRZBHPNGW-PSLXWICFSA-N 0 0 455.352 4.555 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](C)Oc2ccccc2F)cs1 ZINC001492667027 1066792916 /nfs/dbraw/zinc/79/29/16/1066792916.db2.gz QSPWBULOPQODCY-KRWDZBQOSA-N 0 0 495.628 4.790 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC001447325558 1066792921 /nfs/dbraw/zinc/79/29/21/1066792921.db2.gz GYDZIJXTPKSNJS-MHECFPHRSA-N 0 0 451.007 4.995 20 0 JJADRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH]nc1-c1ccccc1Cl ZINC001447326815 1066792987 /nfs/dbraw/zinc/79/29/87/1066792987.db2.gz MIBWOAAQSUXPKM-UHFFFAOYSA-N 0 0 459.255 4.996 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC001447326608 1066793110 /nfs/dbraw/zinc/79/31/10/1066793110.db2.gz LKITTXZXCIERQP-KRWDZBQOSA-N 0 0 456.999 4.513 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457220539 1066792956 /nfs/dbraw/zinc/79/29/56/1066792956.db2.gz HJMLRYQEOFNQJN-GYCJOSAFSA-N 0 0 454.929 4.773 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)CC[C@@H](C)c2ccccc21 ZINC001457218974 1066793018 /nfs/dbraw/zinc/79/30/18/1066793018.db2.gz IYCHNHDQPNPLCN-FATZIPQQSA-N 0 0 455.352 4.934 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)o1 ZINC001457220390 1066793169 /nfs/dbraw/zinc/79/31/69/1066793169.db2.gz ACVFSZGELDRHQH-UHFFFAOYSA-N 0 0 459.502 4.556 20 0 JJADRN O=C(CCC(=O)c1ccc(F)cc1F)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001447329338 1066793358 /nfs/dbraw/zinc/79/33/58/1066793358.db2.gz XVNIRTFYLXYJLC-UHFFFAOYSA-N 0 0 450.791 4.580 20 0 JJADRN CC[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447328103 1066793370 /nfs/dbraw/zinc/79/33/70/1066793370.db2.gz DIIROARMTKIOMC-FXAWDEMLSA-N 0 0 451.007 4.540 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492667328 1066793419 /nfs/dbraw/zinc/79/34/19/1066793419.db2.gz CAXMWDNTORRCFX-YLJYHZDGSA-N 0 0 457.669 4.820 20 0 JJADRN C[C@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)c1ccc(-c2ccccc2)cc1 ZINC001447328643 1066793524 /nfs/dbraw/zinc/79/35/24/1066793524.db2.gz WJJQXODQLSBXAS-CVDCTZTESA-N 0 0 450.579 4.947 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1cn(C)c(=O)cc1C ZINC001457224554 1066793983 /nfs/dbraw/zinc/79/39/83/1066793983.db2.gz NYFKLIGZEDIDOR-UHFFFAOYSA-N 0 0 452.502 4.593 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001457224926 1066794076 /nfs/dbraw/zinc/79/40/76/1066794076.db2.gz QKRVCNNACRWOIA-VUVZNRFTSA-N 0 0 459.587 4.853 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447333884 1066794915 /nfs/dbraw/zinc/79/49/15/1066794915.db2.gz RRXWRVVAVDDGDT-AVRDEDQJSA-N 0 0 451.567 4.704 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)cc1 ZINC001457229830 1066795078 /nfs/dbraw/zinc/79/50/78/1066795078.db2.gz JBQIXOQUQOZRPW-FQEVSTJZSA-N 0 0 455.558 4.797 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCC3)n2CCc2ccc(Br)s2)cs1 ZINC001492667808 1066794989 /nfs/dbraw/zinc/79/49/89/1066794989.db2.gz PRFBHTRNVZXFLX-UHFFFAOYSA-N 0 0 466.474 4.937 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c1 ZINC001457231817 1066795310 /nfs/dbraw/zinc/79/53/10/1066795310.db2.gz OISPKCAVRGRGHK-FQEVSTJZSA-N 0 0 455.558 4.751 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccccc1 ZINC001457230366 1066795435 /nfs/dbraw/zinc/79/54/35/1066795435.db2.gz KVUDNVPUMHGSSN-DNQXCXABSA-N 0 0 452.595 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492668228 1066795987 /nfs/dbraw/zinc/79/59/87/1066795987.db2.gz CURBGBIYBAVVFD-UHFFFAOYSA-N 0 0 495.571 4.834 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c(OC)c1OC ZINC001447340577 1066796530 /nfs/dbraw/zinc/79/65/30/1066796530.db2.gz FWYKEDSOUOMOMB-FQEVSTJZSA-N 0 0 453.579 4.890 20 0 JJADRN CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)C2)cc1 ZINC001447344772 1066796875 /nfs/dbraw/zinc/79/68/75/1066796875.db2.gz KLZMLRVOOUTADJ-SHQCIBLASA-N 0 0 455.602 4.637 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCCc3ccccc3)n2Cc2ccc(F)cn2)cs1 ZINC001492668741 1066797019 /nfs/dbraw/zinc/79/70/19/1066797019.db2.gz WLAJOPNGXVVMEU-UHFFFAOYSA-N 0 0 450.587 4.675 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CCOc2ccc(F)c(Cl)c2)cs1 ZINC001492669057 1066797476 /nfs/dbraw/zinc/79/74/76/1066797476.db2.gz HKFOHCIZBXMFLO-UHFFFAOYSA-N 0 0 482.025 4.757 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)CSc1ccc(Br)cc1C)C(F)(F)F ZINC001457247892 1066797534 /nfs/dbraw/zinc/79/75/34/1066797534.db2.gz MYGBHKOGUJUVJZ-MRXNPFEDSA-N 0 0 450.324 4.620 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001457245028 1066797615 /nfs/dbraw/zinc/79/76/15/1066797615.db2.gz ICBLFLCUQMUYJO-WJOKGBTCSA-N 0 0 455.408 4.519 20 0 JJADRN CON(CCNC(=O)OC(C)(C)C)C(=O)C1(c2ccccc2Br)CCCCC1 ZINC001457243994 1066797728 /nfs/dbraw/zinc/79/77/28/1066797728.db2.gz FBGHYFBQSYZJRM-UHFFFAOYSA-N 0 0 455.393 4.566 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)c12 ZINC001457253757 1066798282 /nfs/dbraw/zinc/79/82/82/1066798282.db2.gz FJVIFOFEXIFTDZ-UHFFFAOYSA-N 0 0 456.587 4.772 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccc(OC(C)C)cc2)cs1 ZINC001492669991 1066799104 /nfs/dbraw/zinc/79/91/04/1066799104.db2.gz CQKATJCBUMDRBJ-YWZLYKJASA-N 0 0 495.571 4.625 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccn3)n2C[C@@H](F)c2ccc(Br)cc2)CCO1 ZINC001546089232 1066799247 /nfs/dbraw/zinc/79/92/47/1066799247.db2.gz KLVGSQLNCDRKII-GCJKJVERSA-N 0 0 474.378 4.819 20 0 JJADRN Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2ccc([C@@H](C)O)cc2)cs1 ZINC001492670129 1066799690 /nfs/dbraw/zinc/79/96/90/1066799690.db2.gz OMHQXIPDNKVIMH-OAHLLOKOSA-N 0 0 479.572 4.904 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@](C)(O)c2ccsc2)cs1 ZINC001492670691 1066799927 /nfs/dbraw/zinc/79/99/27/1066799927.db2.gz ZDZHWHACAZJRIN-JOCHJYFZSA-N 0 0 457.625 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492670705 1066800145 /nfs/dbraw/zinc/80/01/45/1066800145.db2.gz IWZYYHFPNLOWRU-TXEJJXNPSA-N 0 0 453.509 4.721 20 0 JJADRN C[C@H]1CN(C(=O)C[C@@H](n2cccn2)C(F)(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268835 1066800095 /nfs/dbraw/zinc/80/00/95/1066800095.db2.gz UJUHFZAKPAYGBP-LAUBAEHRSA-N 0 0 456.468 4.593 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)c1 ZINC001457268238 1066800279 /nfs/dbraw/zinc/80/02/79/1066800279.db2.gz NYIMKUAQZXEPJD-UHFFFAOYSA-N 0 0 456.949 4.681 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)N(C)c2ccccc2)cs1 ZINC001492671166 1066801237 /nfs/dbraw/zinc/80/12/37/1066801237.db2.gz RXHOGWXASGAPAY-GOSISDBHSA-N 0 0 468.671 4.553 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001457272069 1066801295 /nfs/dbraw/zinc/80/12/95/1066801295.db2.gz LAAHFOMMQLIORZ-OAQYLSRUSA-N 0 0 456.970 4.990 20 0 JJADRN O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001457277394 1066802005 /nfs/dbraw/zinc/80/20/05/1066802005.db2.gz NLWJEEMCXVEBLP-UHFFFAOYSA-N 0 0 453.424 4.581 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492671466 1066802135 /nfs/dbraw/zinc/80/21/35/1066802135.db2.gz XIGIHJNJDAPGIF-QRTARXTBSA-N 0 0 457.566 4.931 20 0 JJADRN CN(C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001457277709 1066802046 /nfs/dbraw/zinc/80/20/46/1066802046.db2.gz OCFXAKYZMZBZKI-MOJGAOKDSA-N 0 0 458.643 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457276938 1066802075 /nfs/dbraw/zinc/80/20/75/1066802075.db2.gz MEADOTHKSCLKTJ-GOSISDBHSA-N 0 0 455.521 4.828 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492671619 1066802512 /nfs/dbraw/zinc/80/25/12/1066802512.db2.gz ACNWKVJSRJPXIN-OAHLLOKOSA-N 0 0 464.561 4.968 20 0 JJADRN CN(C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001457277830 1066802751 /nfs/dbraw/zinc/80/27/51/1066802751.db2.gz OJPIQWBCBFXNES-CBPXPLCBSA-N 0 0 456.583 4.983 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001457277853 1066802760 /nfs/dbraw/zinc/80/27/60/1066802760.db2.gz TYHYSZMFNCIGFJ-NRFANRHFSA-N 0 0 458.647 4.599 20 0 JJADRN CC(C)(C)c1ccc(C(F)(F)C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC001457279026 1066802821 /nfs/dbraw/zinc/80/28/21/1066802821.db2.gz PRMVLABIIGHTQI-UHFFFAOYSA-N 0 0 453.283 4.808 20 0 JJADRN CC(C)Oc1ccc2ccccc2c1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001447385656 1066802881 /nfs/dbraw/zinc/80/28/81/1066802881.db2.gz JQLUIFPRAOLTGY-UHFFFAOYSA-N 0 0 454.324 4.901 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCc2nccc(C(F)(F)F)n2)cs1 ZINC001492671722 1066803055 /nfs/dbraw/zinc/80/30/55/1066803055.db2.gz CVVFJOIOXSPVIU-UHFFFAOYSA-N 0 0 491.587 4.868 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001457281050 1066803112 /nfs/dbraw/zinc/80/31/12/1066803112.db2.gz AHOBTSNBUKQZAD-UUOWRZLLSA-N 0 0 450.579 4.577 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cs1 ZINC001447398756 1066803222 /nfs/dbraw/zinc/80/32/22/1066803222.db2.gz FPOGOQRXQLRKFF-UHFFFAOYSA-N 0 0 455.455 4.824 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(Br)c(F)c1 ZINC001447406724 1066805086 /nfs/dbraw/zinc/80/50/86/1066805086.db2.gz WRSMNABAHFTONC-UHFFFAOYSA-N 0 0 451.336 4.755 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccccc2)cc1 ZINC001447406846 1066805249 /nfs/dbraw/zinc/80/52/49/1066805249.db2.gz DTABMUIXXKFQFP-JYFHCDHNSA-N 0 0 450.966 4.534 20 0 JJADRN COc1ccc([C@H](C)NC(=O)Cn2nc(C)c3c2nc(C(C)C)cc3C(F)(F)F)cc1F ZINC001457292208 1066805259 /nfs/dbraw/zinc/80/52/59/1066805259.db2.gz KBBHYEWIWCKRPS-LBPRGKRZSA-N 0 0 452.452 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)n2CC(F)(F)F)cs1 ZINC001492672987 1066805442 /nfs/dbraw/zinc/80/54/42/1066805442.db2.gz IUFDEAIPYKTKSN-IBGZPJMESA-N 0 0 485.963 4.800 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492673134 1066805614 /nfs/dbraw/zinc/80/56/14/1066805614.db2.gz MZGZUMCUYBDVGF-UHFFFAOYSA-N 0 0 453.509 4.865 20 0 JJADRN COc1ccc(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1SC(F)(F)F ZINC001457296016 1066805634 /nfs/dbraw/zinc/80/56/34/1066805634.db2.gz UCOHJJDISSZCTM-UHFFFAOYSA-N 0 0 454.875 4.721 20 0 JJADRN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001457295742 1066805839 /nfs/dbraw/zinc/80/58/39/1066805839.db2.gz PCBTWRCNRMFNCF-DYESRHJHSA-N 0 0 463.397 4.794 20 0 JJADRN CC1(CO)CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001447409769 1066805921 /nfs/dbraw/zinc/80/59/21/1066805921.db2.gz IDGHODNAWUTTCX-UHFFFAOYSA-N 0 0 454.368 4.536 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492673181 1066806242 /nfs/dbraw/zinc/80/62/42/1066806242.db2.gz NRGSCSFXJPKUJA-RXVVDRJESA-N 0 0 496.681 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492673382 1066806255 /nfs/dbraw/zinc/80/62/55/1066806255.db2.gz RWAPDACMSBWOHT-UHFFFAOYSA-N 0 0 459.689 4.704 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)cs1 ZINC001492673348 1066806318 /nfs/dbraw/zinc/80/63/18/1066806318.db2.gz RFUXNRUPZVGXNY-MSOLQXFVSA-N 0 0 481.670 4.694 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC001457297921 1066806351 /nfs/dbraw/zinc/80/63/51/1066806351.db2.gz PYGKZKBGHNWINL-IBNJYYFUSA-N 0 0 452.448 4.640 20 0 JJADRN COc1ccc([C@H](CC(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)NC(C)=O)cc1 ZINC001457297057 1066806365 /nfs/dbraw/zinc/80/63/65/1066806365.db2.gz WWCYYKAPEQTSCE-KRWDZBQOSA-N 0 0 457.470 4.626 20 0 JJADRN COc1ccc(CNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)c(OC2CCCC2)c1 ZINC001457297789 1066806378 /nfs/dbraw/zinc/80/63/78/1066806378.db2.gz MYZGZRWVZRKYDS-UHFFFAOYSA-N 0 0 454.567 4.971 20 0 JJADRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001447416093 1066806443 /nfs/dbraw/zinc/80/64/43/1066806443.db2.gz SOWRRAASRYUVQY-JZWVFAODSA-N 0 0 452.599 4.899 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)s1 ZINC001447414510 1066806481 /nfs/dbraw/zinc/80/64/81/1066806481.db2.gz ZIBXAEQMJJRNRK-QGZVFWFLSA-N 0 0 451.976 4.676 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001447415004 1066806508 /nfs/dbraw/zinc/80/65/08/1066806508.db2.gz KQUBVPYECNHKJJ-JPYJTQIMSA-N 0 0 459.537 4.925 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(C)(C)C ZINC001457302928 1066806980 /nfs/dbraw/zinc/80/69/80/1066806980.db2.gz ZQTGDRWYYHJWHI-MRXNPFEDSA-N 0 0 453.402 4.897 20 0 JJADRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1sc2ccccc2c1C ZINC001447418691 1066806975 /nfs/dbraw/zinc/80/69/75/1066806975.db2.gz ZCMUQVIACLQEQC-AOIWGVFYSA-N 0 0 459.656 4.613 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CCC(C)(F)F)cs1 ZINC001492673700 1066807381 /nfs/dbraw/zinc/80/73/81/1066807381.db2.gz ZTGDZXYHPGXWTF-HNNXBMFYSA-N 0 0 498.644 4.809 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001546089804 1066807456 /nfs/dbraw/zinc/80/74/56/1066807456.db2.gz WLAZITQQEHCAMY-VWLOTQADSA-N 0 0 457.619 4.516 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)cc21 ZINC001447427496 1066807528 /nfs/dbraw/zinc/80/75/28/1066807528.db2.gz ONQXVELPXZCJFO-UHFFFAOYSA-N 0 0 454.324 4.530 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001447426594 1066807595 /nfs/dbraw/zinc/80/75/95/1066807595.db2.gz NOKLZCSLBONWIT-NRFANRHFSA-N 0 0 450.579 4.772 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546089668 1066807602 /nfs/dbraw/zinc/80/76/02/1066807602.db2.gz TVDZFMFWZIUABC-WAIKUNEKSA-N 0 0 464.010 4.517 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(CCC(F)(F)F)cc1 ZINC001457314946 1066808140 /nfs/dbraw/zinc/80/81/40/1066808140.db2.gz LRMLPNZODQJDEI-UHFFFAOYSA-N 0 0 454.514 4.537 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC001447430623 1066808716 /nfs/dbraw/zinc/80/87/16/1066808716.db2.gz BDQSRNBCMUSJSN-OXJNMPFZSA-N 0 0 450.362 4.930 20 0 JJADRN O=C(Nc1ccc(F)cc1I)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001457315793 1066808654 /nfs/dbraw/zinc/80/86/54/1066808654.db2.gz JGZHPQKQPGCATM-UHFFFAOYSA-N 0 0 457.258 4.547 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2c(-c3cccnc3)nc3ccccn32)cc1)OCC(F)(F)F ZINC001457316073 1066808758 /nfs/dbraw/zinc/80/87/58/1066808758.db2.gz NVKGLWLZMUDEGZ-UHFFFAOYSA-N 0 0 455.396 4.759 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2ccc(I)cc2)cs1 ZINC001492674324 1066808711 /nfs/dbraw/zinc/80/87/11/1066808711.db2.gz QDKIWUOECOKXKX-KGLIPLIRSA-N 0 0 493.418 4.521 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545995850 1066809163 /nfs/dbraw/zinc/80/91/63/1066809163.db2.gz ZNMRFCWWVLSSAQ-RBBKRZOGSA-N 0 0 471.646 4.828 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545995848 1066809199 /nfs/dbraw/zinc/80/91/99/1066809199.db2.gz ZNMRFCWWVLSSAQ-IFMALSPDSA-N 0 0 471.646 4.828 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545995851 1066809319 /nfs/dbraw/zinc/80/93/19/1066809319.db2.gz ZNMRFCWWVLSSAQ-UNMCSNQZSA-N 0 0 471.646 4.828 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492674903 1066809185 /nfs/dbraw/zinc/80/91/85/1066809185.db2.gz JPVCQBVJNKIOOP-UHFFFAOYSA-N 0 0 487.983 4.914 20 0 JJADRN O=C(Nc1ccc(I)cc1Br)c1cccnc1C(F)F ZINC001457318260 1066809329 /nfs/dbraw/zinc/80/93/29/1066809329.db2.gz VAYGQNXVMYSTLY-UHFFFAOYSA-N 0 0 453.024 4.639 20 0 JJADRN O=C(Nc1ccc(I)cc1Br)c1cc(F)c(F)cc1F ZINC001457319159 1066809771 /nfs/dbraw/zinc/80/97/71/1066809771.db2.gz YPGGJPICLSBODV-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001545995853 1066809641 /nfs/dbraw/zinc/80/96/41/1066809641.db2.gz ZOVCRDSHAFVCOY-SFHVURJKSA-N 0 0 476.691 4.558 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cc(O)ccc2C1)c1cccc(C(F)(F)F)c1 ZINC001457324593 1066810312 /nfs/dbraw/zinc/81/03/12/1066810312.db2.gz HPEJJAIAUXYLKN-LJQANCHMSA-N 0 0 450.457 4.562 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)n1 ZINC001447447995 1066810360 /nfs/dbraw/zinc/81/03/60/1066810360.db2.gz JERAJVOOKNZFRQ-NFBKMPQASA-N 0 0 450.514 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3ccccc3-c3nccs3)cn2)C1 ZINC001457326488 1066810873 /nfs/dbraw/zinc/81/08/73/1066810873.db2.gz OVYGCQPQMUNWPN-KRWDZBQOSA-N 0 0 453.568 4.831 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC(=O)Nc2ccccc2)cs1 ZINC001492675383 1066810858 /nfs/dbraw/zinc/81/08/58/1066810858.db2.gz WGJUETMRNOSUMT-UHFFFAOYSA-N 0 0 477.421 4.562 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001447452674 1066811031 /nfs/dbraw/zinc/81/10/31/1066811031.db2.gz YQXHXGWEDVETQM-GOSISDBHSA-N 0 0 458.628 4.963 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2CCC2(F)CCC2)CCO1 ZINC001546089471 1066811311 /nfs/dbraw/zinc/81/13/11/1066811311.db2.gz PMDWDWUAYQBUGR-FQEVSTJZSA-N 0 0 451.384 4.995 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cs2)c1 ZINC001457330707 1066811360 /nfs/dbraw/zinc/81/13/60/1066811360.db2.gz VTNHVCUXRSDHEH-QGZVFWFLSA-N 0 0 459.493 4.602 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCOc2ccccc2Cl)cs1 ZINC001492675864 1066811398 /nfs/dbraw/zinc/81/13/98/1066811398.db2.gz NMPOLZCWZNQYRZ-LJQANCHMSA-N 0 0 476.046 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Oc4ccc(F)cc4F)CC3)n2CCCOC(C)C)cs1 ZINC001492675681 1066811495 /nfs/dbraw/zinc/81/14/95/1066811495.db2.gz HMXGBAFITCYECH-UHFFFAOYSA-N 0 0 491.608 4.775 20 0 JJADRN COC(=O)COc1ccc([C@H](C)NC(=O)CCSc2ccnc3cc(Cl)ccc32)cc1 ZINC001447456572 1066811588 /nfs/dbraw/zinc/81/15/88/1066811588.db2.gz SFXOVVOQWUMSGB-HNNXBMFYSA-N 0 0 458.967 4.800 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)C2)c1 ZINC001447460001 1066811684 /nfs/dbraw/zinc/81/16/84/1066811684.db2.gz ZNGBIISRGGHRQS-ZTCOLXNVSA-N 0 0 453.558 4.757 20 0 JJADRN CCc1c(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cnn1-c1cccc(Cl)c1 ZINC001457335475 1066811840 /nfs/dbraw/zinc/81/18/40/1066811840.db2.gz PKUJMXOBGROBFE-UHFFFAOYSA-N 0 0 458.990 4.654 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492676283 1066812597 /nfs/dbraw/zinc/81/25/97/1066812597.db2.gz AVMPKFOFIHIGTJ-ZDUSSCGKSA-N 0 0 485.605 4.610 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)Oc2ccccc2)cs1 ZINC001492676434 1066813177 /nfs/dbraw/zinc/81/31/77/1066813177.db2.gz FQXUYPWAFQZSMB-DOTOQJQBSA-N 0 0 465.545 4.880 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492676415 1066813241 /nfs/dbraw/zinc/81/32/41/1066813241.db2.gz FHHJCUQIZIVWOM-UXHICEINSA-N 0 0 488.702 4.955 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](C)C(C)(C)C3)c2)cc1 ZINC001447480810 1066813411 /nfs/dbraw/zinc/81/34/11/1066813411.db2.gz PZKFCLUSPPJCLD-LJQANCHMSA-N 0 0 458.624 4.727 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001457343357 1066813548 /nfs/dbraw/zinc/81/35/48/1066813548.db2.gz PVZVWPQHOGSOLK-UHFFFAOYSA-N 0 0 458.367 4.820 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492676509 1066813663 /nfs/dbraw/zinc/81/36/63/1066813663.db2.gz HLYHDVNUJSBBJL-FUHIMQAGSA-N 0 0 467.630 4.957 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4sccc4C3)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492676543 1066813738 /nfs/dbraw/zinc/81/37/38/1066813738.db2.gz IIRTYTXSNPTDGE-UHFFFAOYSA-N 0 0 488.683 4.515 20 0 JJADRN COc1cc(CC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC001447485541 1066813912 /nfs/dbraw/zinc/81/39/12/1066813912.db2.gz JSUFATSVJWEQQY-AWEZNQCLSA-N 0 0 451.363 4.781 20 0 JJADRN O=C(c1scc(Br)c1Br)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001447484650 1066814083 /nfs/dbraw/zinc/81/40/83/1066814083.db2.gz MTJZOZKYGXOATM-ZDUSSCGKSA-N 0 0 459.203 4.747 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)C[C@@H](C)O2 ZINC001457346444 1066814175 /nfs/dbraw/zinc/81/41/75/1066814175.db2.gz MKRBCBOGPWMTSL-GFCCVEGCSA-N 0 0 452.732 4.539 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C[C@H](C)O2 ZINC001457346451 1066814225 /nfs/dbraw/zinc/81/42/25/1066814225.db2.gz MLQBITABCCWFSO-HNNXBMFYSA-N 0 0 455.393 4.765 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]4CCCC[C@@H]4C3)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492676765 1066814329 /nfs/dbraw/zinc/81/43/29/1066814329.db2.gz OCYHQTOVUTWHLW-HZPDHXFCSA-N 0 0 475.556 4.567 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)[C@H](Oc3ccc(Cl)cc3)C(C)C)nc12 ZINC001447492529 1066815204 /nfs/dbraw/zinc/81/52/04/1066815204.db2.gz ZDZMGIFLOXPPQY-GOSISDBHSA-N 0 0 450.764 4.778 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCCc2ccnc(C(C)(C)C)n2)CCO1 ZINC001546089930 1066815362 /nfs/dbraw/zinc/81/53/62/1066815362.db2.gz YXYLCSMFMISFIY-MHZLTWQESA-N 0 0 478.641 4.679 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001457355846 1066815470 /nfs/dbraw/zinc/81/54/70/1066815470.db2.gz DCAIPSKBQCVCLV-UHFFFAOYSA-N 0 0 454.495 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCc2ccc(F)c(F)c2F)cs1 ZINC001492677021 1066815405 /nfs/dbraw/zinc/81/54/05/1066815405.db2.gz UFDDSYSUMGHQIG-AWEZNQCLSA-N 0 0 471.499 4.775 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4ccccc4[C@@H]3C)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492677076 1066815612 /nfs/dbraw/zinc/81/56/12/1066815612.db2.gz VIEKMWLRPXLMFS-AWEZNQCLSA-N 0 0 483.535 4.675 20 0 JJADRN CC[C@H]1CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001447498679 1066815812 /nfs/dbraw/zinc/81/58/12/1066815812.db2.gz MACCZYOHGMNCJO-WNCULLNHSA-N 0 0 451.611 4.550 20 0 JJADRN C[C@H](CNC(=O)c1sccc1NC(=O)c1ccc(Br)cc1)c1nccs1 ZINC001447503392 1066816023 /nfs/dbraw/zinc/81/60/23/1066816023.db2.gz AYBRVDRDEPILKG-LLVKDONJSA-N 0 0 450.383 4.753 20 0 JJADRN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545996799 1066816078 /nfs/dbraw/zinc/81/60/78/1066816078.db2.gz DOAZYODRTMVNJR-CYBMUJFWSA-N 0 0 469.330 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677326 1066816028 /nfs/dbraw/zinc/81/60/28/1066816028.db2.gz CNKBBPXTBVTRQK-JOCHJYFZSA-N 0 0 479.572 4.854 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492677363 1066816040 /nfs/dbraw/zinc/81/60/40/1066816040.db2.gz DBPMRBJISVRZDF-HXUWFJFHSA-N 0 0 459.063 4.969 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1=O ZINC001457361438 1066816523 /nfs/dbraw/zinc/81/65/23/1066816523.db2.gz QMRXMZDSBWZIHQ-DEOSSOPVSA-N 0 0 451.929 4.863 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001492677499 1066816767 /nfs/dbraw/zinc/81/67/67/1066816767.db2.gz IFKIYLUWEGHYIS-INIZCTEOSA-N 0 0 470.609 4.535 20 0 JJADRN Cc1c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)cnn1-c1ccc(Cl)cc1 ZINC001457363848 1066817020 /nfs/dbraw/zinc/81/70/20/1066817020.db2.gz MLWZEZQCTOCGSM-UHFFFAOYSA-N 0 0 454.361 4.705 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)N3CCc4cccc(NC(=O)OC(C)(C)C)c4C3)c2nc1C ZINC001457369855 1066818384 /nfs/dbraw/zinc/81/83/84/1066818384.db2.gz LBOGLEKHBDJARA-UHFFFAOYSA-N 0 0 450.514 4.931 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC4(CC4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492678440 1066818344 /nfs/dbraw/zinc/81/83/44/1066818344.db2.gz XPPMXQJFWSQCOL-IBGZPJMESA-N 0 0 474.675 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678263 1066818376 /nfs/dbraw/zinc/81/83/76/1066818376.db2.gz VPIMTBBFSDULLR-LMNJBCLMSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2ccccc2Cl)cs1 ZINC001492678396 1066818391 /nfs/dbraw/zinc/81/83/91/1066818391.db2.gz JCKZDSLWGLXQHY-QGZVFWFLSA-N 0 0 485.963 4.883 20 0 JJADRN Cc1cc(C)c2c(c1)CCN(C(=O)c1cc(S(=O)(=O)Nc3ccc(F)cc3)ccc1C)C2 ZINC001457372387 1066818817 /nfs/dbraw/zinc/81/88/17/1066818817.db2.gz AGVZLYFZOJSMSN-UHFFFAOYSA-N 0 0 452.551 4.750 20 0 JJADRN Cc1ccc(CNC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCCC2)n1 ZINC001447531255 1066819082 /nfs/dbraw/zinc/81/90/82/1066819082.db2.gz DZIWTGXUHGKUFD-UHFFFAOYSA-N 0 0 458.647 4.814 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cnc1NCc1ccc(Cl)cc1 ZINC001457381060 1066819432 /nfs/dbraw/zinc/81/94/32/1066819432.db2.gz YJKZYVCKGSSMEN-IBGZPJMESA-N 0 0 458.006 4.672 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001457382300 1066819535 /nfs/dbraw/zinc/81/95/35/1066819535.db2.gz HEQNXWYMHONPHH-QGZVFWFLSA-N 0 0 452.624 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCSCC(C)C)cs1 ZINC001492678983 1066819987 /nfs/dbraw/zinc/81/99/87/1066819987.db2.gz RNMYTBQCSDGEFE-LJQANCHMSA-N 0 0 492.759 4.544 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C/c2ccccc2)cs1 ZINC001492678967 1066820109 /nfs/dbraw/zinc/82/01/09/1066820109.db2.gz RBUYQEOFXUTFJC-NBILRRPASA-N 0 0 494.665 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCOc2ccc(Cl)cn2)cs1 ZINC001492679002 1066820624 /nfs/dbraw/zinc/82/06/24/1066820624.db2.gz RYYSZWKPJHNQES-IBGZPJMESA-N 0 0 491.061 4.545 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[C@@H](C)c2ccccc2)cs1 ZINC001492679132 1066820759 /nfs/dbraw/zinc/82/07/59/1066820759.db2.gz VWODWQQPPRRJMN-DENIHFKCSA-N 0 0 480.682 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492679058 1066820855 /nfs/dbraw/zinc/82/08/55/1066820855.db2.gz UBWFJUHFQXQTAR-QGZVFWFLSA-N 0 0 459.582 4.864 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(CCCO)c2)c1 ZINC001447556318 1066820635 /nfs/dbraw/zinc/82/06/35/1066820635.db2.gz XSQOSPVOIDZHQO-UHFFFAOYSA-N 0 0 450.560 4.603 20 0 JJADRN C[C@H](CNC(=O)CSc1ccccc1Br)Oc1ccccc1Br ZINC001457392186 1066820784 /nfs/dbraw/zinc/82/07/84/1066820784.db2.gz AQXQSZPUHDLXFB-GFCCVEGCSA-N 0 0 459.203 4.887 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2C[C@@](C)(O)c2ccccc2Cl)cs1 ZINC001492679314 1066821158 /nfs/dbraw/zinc/82/11/58/1066821158.db2.gz ZGUUCEUPTINBJT-HSZRJFAPSA-N 0 0 460.047 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)cs1 ZINC001492679202 1066821376 /nfs/dbraw/zinc/82/13/76/1066821376.db2.gz WTQCSSYZHWBJIR-IIBYNOLFSA-N 0 0 474.625 4.841 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545997271 1066821441 /nfs/dbraw/zinc/82/14/41/1066821441.db2.gz MIRPNGOJXSYNAM-IEBWSBKVSA-N 0 0 462.664 4.886 20 0 JJADRN CC(C)Cn1c(SCC(=O)N[C@H](CO)C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001447559219 1066822130 /nfs/dbraw/zinc/82/21/30/1066822130.db2.gz NQXJTIPPNZLCFM-MRXNPFEDSA-N 0 0 459.443 4.523 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2CCCCOC(C)C)cs1 ZINC001492679992 1066822523 /nfs/dbraw/zinc/82/25/23/1066822523.db2.gz XFSDZRWRXKVGET-HSZRJFAPSA-N 0 0 469.655 4.807 20 0 JJADRN CCCCOCCN(C(=O)c1cncc(-c2cnn(C)c2)c1)c1cccc(Br)c1 ZINC001457399549 1066822547 /nfs/dbraw/zinc/82/25/47/1066822547.db2.gz GIDZLNZADCOTOC-UHFFFAOYSA-N 0 0 457.372 4.708 20 0 JJADRN CCCCOCCN(C(=O)[C@@H]1CC(=O)N(C)c2ccccc21)c1cccc(Br)c1 ZINC001457401288 1066823068 /nfs/dbraw/zinc/82/30/68/1066823068.db2.gz RFOZSCRWWIVBMP-HXUWFJFHSA-N 0 0 459.384 4.749 20 0 JJADRN Cc1cn2c(n1)C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC001447568643 1066823264 /nfs/dbraw/zinc/82/32/64/1066823264.db2.gz ABWOLDQAIVEOHK-SIKLNZKXSA-N 0 0 457.496 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4nccc(C(C)C)n4)CC3)n2CCCC(C)(C)C)cs1 ZINC001492681339 1066823682 /nfs/dbraw/zinc/82/36/82/1066823682.db2.gz UJMYRDIOCNAADC-UHFFFAOYSA-N 0 0 482.702 4.700 20 0 JJADRN CCOC(OCC)[C@@H](C)NC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001457406532 1066823712 /nfs/dbraw/zinc/82/37/12/1066823712.db2.gz AYNRHZADYCEWCK-CQSZACIVSA-N 0 0 450.366 4.914 20 0 JJADRN CCOC(OCC)[C@H](C)NC(=O)c1cccnc1SCc1ccc(Br)cc1 ZINC001457407547 1066823717 /nfs/dbraw/zinc/82/37/17/1066823717.db2.gz DZUNGWNHWQPCSD-AWEZNQCLSA-N 0 0 453.402 4.654 20 0 JJADRN Cc1cc(C)c(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)c(=O)[nH]1 ZINC001447572355 1066823696 /nfs/dbraw/zinc/82/36/96/1066823696.db2.gz GCGHZWOARSOJAW-QFIPXVFZSA-N 0 0 458.480 4.728 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001447573898 1066823788 /nfs/dbraw/zinc/82/37/88/1066823788.db2.gz PFAOAWKSOZWYAI-LJQANCHMSA-N 0 0 457.596 4.862 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC(C)(C)c2cccs2)cs1 ZINC001492680944 1066823770 /nfs/dbraw/zinc/82/37/70/1066823770.db2.gz GEGLUUAABQQSIB-OAHLLOKOSA-N 0 0 498.644 4.746 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC001457408980 1066824263 /nfs/dbraw/zinc/82/42/63/1066824263.db2.gz QAOFNUOVVGQWRT-UHFFFAOYSA-N 0 0 457.546 4.661 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)c3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001457408833 1066824275 /nfs/dbraw/zinc/82/42/75/1066824275.db2.gz FVVLQLZIQVXPGK-SFHVURJKSA-N 0 0 457.958 4.758 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)CC1 ZINC001457409180 1066824283 /nfs/dbraw/zinc/82/42/83/1066824283.db2.gz SBQKAOUOHCYANI-UHFFFAOYSA-N 0 0 451.926 4.996 20 0 JJADRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447574741 1066824290 /nfs/dbraw/zinc/82/42/90/1066824290.db2.gz IJLWYBZSAHOKFF-HJPURHCSSA-N 0 0 459.512 4.986 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001447578692 1066824732 /nfs/dbraw/zinc/82/47/32/1066824732.db2.gz UMVNTXVCWGVGEW-JOCHJYFZSA-N 0 0 451.567 4.801 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545997918 1066824961 /nfs/dbraw/zinc/82/49/61/1066824961.db2.gz YQQFOGJWLNRWLD-DNQXCXABSA-N 0 0 497.684 4.876 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1c2c(sc1-n1cccc1)CCC2 ZINC001457413388 1066825380 /nfs/dbraw/zinc/82/53/80/1066825380.db2.gz JVBPNZFPIUYSKR-HXUWFJFHSA-N 0 0 454.901 4.861 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001457412217 1066825417 /nfs/dbraw/zinc/82/54/17/1066825417.db2.gz UFEHHINVGVOZGY-RDJZCZTQSA-N 0 0 456.505 4.670 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457413437 1066825450 /nfs/dbraw/zinc/82/54/50/1066825450.db2.gz JZRRFMHHECSTPP-BMLIUANNSA-N 0 0 456.675 4.980 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)CCCCC2)c(Br)c1 ZINC001447580350 1066825414 /nfs/dbraw/zinc/82/54/14/1066825414.db2.gz QGNRHQLHCNNVDH-HXUWFJFHSA-N 0 0 459.359 4.630 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](COc4ccccc4)C3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492682831 1066825418 /nfs/dbraw/zinc/82/54/18/1066825418.db2.gz IKRWKMGGCGLYLR-IBGZPJMESA-N 0 0 495.571 4.507 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2cccs2)CC1)Oc1ccccc1F ZINC001545997937 1066825492 /nfs/dbraw/zinc/82/54/92/1066825492.db2.gz YXVBKMXBKQGKIR-IBGZPJMESA-N 0 0 457.619 4.861 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(c4ccccc4)C3)n2CCCCOC(C)C)cs1 ZINC001492683357 1066825872 /nfs/dbraw/zinc/82/58/72/1066825872.db2.gz VZIZBXASKGBOIN-RUZDIDTESA-N 0 0 469.655 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC(C)(C)c2ccc(F)cc2)cs1 ZINC001492683343 1066825975 /nfs/dbraw/zinc/82/59/75/1066825975.db2.gz VOABGXLVUXWJIE-INIZCTEOSA-N 0 0 457.619 4.754 20 0 JJADRN O=C(Cn1ncc2ccccc21)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447585773 1066826083 /nfs/dbraw/zinc/82/60/83/1066826083.db2.gz VANUUHLUKPSCNA-HSZRJFAPSA-N 0 0 453.464 4.818 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccc(Cl)s4)C3)n2CCOC(C)(C)C)cs1 ZINC001492683372 1066826031 /nfs/dbraw/zinc/82/60/31/1066826031.db2.gz WFXNXDPQWPOKBZ-INIZCTEOSA-N 0 0 482.075 4.742 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492683687 1066826538 /nfs/dbraw/zinc/82/65/38/1066826538.db2.gz FXSDDUYGDSNQKI-GOSISDBHSA-N 0 0 474.675 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C)Oc2ccccc2C)cs1 ZINC001492683672 1066826567 /nfs/dbraw/zinc/82/65/67/1066826567.db2.gz FHQLPBXIBFARID-KZNAEPCWSA-N 0 0 457.669 4.740 20 0 JJADRN CCN(C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)[C@H](COC)Cc1ccccc1 ZINC001457418376 1066826718 /nfs/dbraw/zinc/82/67/18/1066826718.db2.gz XONQRYOGVRIWSV-DEOSSOPVSA-N 0 0 456.590 4.816 20 0 JJADRN O=C(N[C@H](CCO)c1ccccc1Br)c1cc2ccccc2n1CC(F)(F)F ZINC001447590869 1066826739 /nfs/dbraw/zinc/82/67/39/1066826739.db2.gz XKKXJQAQSSLKIO-MRXNPFEDSA-N 0 0 455.274 4.820 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC001447604948 1066827416 /nfs/dbraw/zinc/82/74/16/1066827416.db2.gz HTJQHUXOQBYUOJ-HSZRJFAPSA-N 0 0 453.970 4.571 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC001457421816 1066827996 /nfs/dbraw/zinc/82/79/96/1066827996.db2.gz HPTCPMKZNQMQOO-UHFFFAOYSA-N 0 0 450.783 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCC2(F)F)cs1 ZINC001492684173 1066827972 /nfs/dbraw/zinc/82/79/72/1066827972.db2.gz SNWVOAYVGCSTIL-DLBZAZTESA-N 0 0 496.628 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C1 ZINC001447608802 1066828006 /nfs/dbraw/zinc/82/80/06/1066828006.db2.gz OHZUSAZRBKAZFU-HXUWFJFHSA-N 0 0 454.571 4.827 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1N ZINC001447607659 1066828044 /nfs/dbraw/zinc/82/80/44/1066828044.db2.gz MTLPJLBOKJSRIK-FQEVSTJZSA-N 0 0 459.377 4.651 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC001457422471 1066828096 /nfs/dbraw/zinc/82/80/96/1066828096.db2.gz JEEYLQAHDJJNKB-UHFFFAOYSA-N 0 0 457.239 4.771 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C1 ZINC001447606660 1066828106 /nfs/dbraw/zinc/82/81/06/1066828106.db2.gz LBGJMASGFKLTHD-SOAGJPPSSA-N 0 0 454.571 4.826 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2nc(C)c(C)s2)cs1 ZINC001492684384 1066828492 /nfs/dbraw/zinc/82/84/92/1066828492.db2.gz XYEVYNGFRKIFGC-GOSISDBHSA-N 0 0 462.714 4.528 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)(C)C ZINC001457423996 1066828631 /nfs/dbraw/zinc/82/86/31/1066828631.db2.gz FPYKJTVHMDWYMI-KUHUBIRLSA-N 0 0 457.368 4.646 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545997375 1066828748 /nfs/dbraw/zinc/82/87/48/1066828748.db2.gz NNELMYSQYNFBNB-LEWJYISDSA-N 0 0 489.636 4.563 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)c3ccccc3I)c(Cl)c2)n1 ZINC001447613341 1066828761 /nfs/dbraw/zinc/82/87/61/1066828761.db2.gz DDTIUHJMBLNGIX-UHFFFAOYSA-N 0 0 453.667 4.809 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)(C)C ZINC001457423994 1066828703 /nfs/dbraw/zinc/82/87/03/1066828703.db2.gz FPYKJTVHMDWYMI-AUUYWEPGSA-N 0 0 457.368 4.646 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCSCC(C)C)C2)no1 ZINC001492684825 1066829138 /nfs/dbraw/zinc/82/91/38/1066829138.db2.gz KHSQGSNBWYIECU-KCZVDYSFSA-N 0 0 490.718 4.736 20 0 JJADRN CC(C)c1scnc1C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001457424860 1066829235 /nfs/dbraw/zinc/82/92/35/1066829235.db2.gz VINGLSGJZSFXPR-UHFFFAOYSA-N 0 0 456.349 4.555 20 0 JJADRN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC001447616494 1066829214 /nfs/dbraw/zinc/82/92/14/1066829214.db2.gz ZOYBPFHUZDHZHW-MRXNPFEDSA-N 0 0 456.905 4.973 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC001447617300 1066829224 /nfs/dbraw/zinc/82/92/24/1066829224.db2.gz QLPCAKIRUAZXDS-UHFFFAOYSA-N 0 0 452.913 4.795 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c(Cl)c2)n1 ZINC001447617200 1066829249 /nfs/dbraw/zinc/82/92/49/1066829249.db2.gz KFWGSLRZQYRTQO-MRXNPFEDSA-N 0 0 456.905 4.582 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCOC[C@H]1c1noc(C(C)C)n1 ZINC001447616871 1066829262 /nfs/dbraw/zinc/82/92/62/1066829262.db2.gz OVRZGXBHRHBYCX-AWEZNQCLSA-N 0 0 450.358 4.692 20 0 JJADRN CCc1c(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cnn1C(CC)CC ZINC001447620828 1066830231 /nfs/dbraw/zinc/83/02/31/1066830231.db2.gz MGLCWCJSPLPDME-GOSISDBHSA-N 0 0 454.619 4.678 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC001457427487 1066830322 /nfs/dbraw/zinc/83/03/22/1066830322.db2.gz JWACIZQCRMBFDM-AREMUKBSSA-N 0 0 458.558 4.519 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1 ZINC001457428817 1066830402 /nfs/dbraw/zinc/83/04/02/1066830402.db2.gz OMTRQFCKERFWSV-PTNGSMBKSA-N 0 0 450.516 4.822 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(F)F)C2)no1 ZINC001492685433 1066830281 /nfs/dbraw/zinc/83/02/81/1066830281.db2.gz VGBIYUJXMFAIOL-QGZVFWFLSA-N 0 0 464.948 4.718 20 0 JJADRN Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)cs1 ZINC001492685587 1066830407 /nfs/dbraw/zinc/83/04/07/1066830407.db2.gz WRFFTGYCUNJHAV-UHFFFAOYSA-N 0 0 482.654 4.549 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccccc4F)n3CCSCC(F)(F)F)C2)no1 ZINC001492686155 1066830766 /nfs/dbraw/zinc/83/07/66/1066830766.db2.gz UMNBUJVWDZRLCJ-OAHLLOKOSA-N 0 0 484.523 4.530 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)c1 ZINC001457431912 1066831393 /nfs/dbraw/zinc/83/13/93/1066831393.db2.gz VJWISDLBWWQJBR-UHFFFAOYSA-N 0 0 459.521 4.763 20 0 JJADRN C/C(=C/C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001457432741 1066831438 /nfs/dbraw/zinc/83/14/38/1066831438.db2.gz ZPVJORJMEWEYHU-PTNGSMBKSA-N 0 0 459.493 4.812 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)n[nH]1 ZINC001492686434 1066831494 /nfs/dbraw/zinc/83/14/94/1066831494.db2.gz AYSYRMZSVMOYQY-INIZCTEOSA-N 0 0 458.010 4.613 20 0 JJADRN CCN(CC(=O)NCC[C@H]1CCO[C@@H](C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447629477 1066831558 /nfs/dbraw/zinc/83/15/58/1066831558.db2.gz INRCFCZTDRUQCU-PMACEKPBSA-N 0 0 450.579 4.579 20 0 JJADRN CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)c1 ZINC001457438885 1066831786 /nfs/dbraw/zinc/83/17/86/1066831786.db2.gz DGISAUWRYGQKJT-UHFFFAOYSA-N 0 0 459.275 4.726 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC001457436411 1066831923 /nfs/dbraw/zinc/83/19/23/1066831923.db2.gz MPGOOBNQINSMGG-FQEVSTJZSA-N 0 0 451.910 4.836 20 0 JJADRN COc1cc(CCC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc(OC)c1O ZINC001447630150 1066831875 /nfs/dbraw/zinc/83/18/75/1066831875.db2.gz HWMQLAALPCNZGD-SFHVURJKSA-N 0 0 451.363 4.781 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(F)c(F)c2)cs1 ZINC001492687076 1066832035 /nfs/dbraw/zinc/83/20/35/1066832035.db2.gz AECUWLYLFNIKGS-UHFFFAOYSA-N 0 0 493.381 4.958 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(I)cc1O)c1ccc(Br)s1 ZINC001447630241 1066831979 /nfs/dbraw/zinc/83/19/79/1066831979.db2.gz YQPMITFCVJHYBV-SSDOTTSWSA-N 0 0 452.111 4.563 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H]2CCCOC2)cs1 ZINC001492687111 1066832090 /nfs/dbraw/zinc/83/20/90/1066832090.db2.gz BAXGFCJNWIEJLY-INIZCTEOSA-N 0 0 476.444 4.578 20 0 JJADRN CS[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl)C(C)(C)C ZINC001447632083 1066832626 /nfs/dbraw/zinc/83/26/26/1066832626.db2.gz IFMRACLSOQDANP-LJQANCHMSA-N 0 0 455.045 4.957 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492687341 1066832737 /nfs/dbraw/zinc/83/27/37/1066832737.db2.gz GJZJVFSLKFEZEX-BETUJISGSA-N 0 0 496.862 4.982 20 0 JJADRN CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)C1(C)C ZINC001457448716 1066832992 /nfs/dbraw/zinc/83/29/92/1066832992.db2.gz OGFDQKWSDUASSJ-DHIUTWEWSA-N 0 0 458.624 4.615 20 0 JJADRN CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC001447634207 1066833007 /nfs/dbraw/zinc/83/30/07/1066833007.db2.gz PZOAZTQTZXYTKT-UHFFFAOYSA-N 0 0 452.595 4.775 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447633888 1066833035 /nfs/dbraw/zinc/83/30/35/1066833035.db2.gz OOUJFRPWSLCSFU-JJRFVKOUSA-N 0 0 468.516 4.665 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001447634122 1066833102 /nfs/dbraw/zinc/83/31/02/1066833102.db2.gz VFJDCRZRHWRRPK-PKOBYXMFSA-N 0 0 477.602 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc(F)c(Cl)c(N)c2Cl)cc1 ZINC001447635009 1066833769 /nfs/dbraw/zinc/83/37/69/1066833769.db2.gz YNLQKZJIKVZUEH-UHFFFAOYSA-N 0 0 458.317 4.871 20 0 JJADRN O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001447637530 1066833820 /nfs/dbraw/zinc/83/38/20/1066833820.db2.gz ZYJAIHOIWAQNRQ-AEFFLSMTSA-N 0 0 459.390 4.582 20 0 JJADRN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001447637533 1066834190 /nfs/dbraw/zinc/83/41/90/1066834190.db2.gz ZYJAIHOIWAQNRQ-FUHWJXTLSA-N 0 0 459.390 4.582 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(Cc2cccs2)C(C)C)n[nH]1 ZINC001492687824 1066834246 /nfs/dbraw/zinc/83/42/46/1066834246.db2.gz RMZRSVXCAJGMDZ-UHFFFAOYSA-N 0 0 473.553 4.692 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001457458762 1066834740 /nfs/dbraw/zinc/83/47/40/1066834740.db2.gz UEBWDVUUPZQGIX-LJQANCHMSA-N 0 0 455.986 4.830 20 0 JJADRN CCNc1cc(C)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001447645776 1066834898 /nfs/dbraw/zinc/83/48/98/1066834898.db2.gz QFMJBIMGGNSSGO-UHFFFAOYSA-N 0 0 450.004 4.897 20 0 JJADRN Cc1nc(CCn2c(-c3cccn3C)nnc2N(C)Cc2cc(Br)cs2)cs1 ZINC001492688736 1066834979 /nfs/dbraw/zinc/83/49/79/1066834979.db2.gz QSTSSYDYPUAIGG-UHFFFAOYSA-N 0 0 477.457 4.752 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3S[C@H](C)C(N)=O)CC2)cc1 ZINC001457460263 1066835252 /nfs/dbraw/zinc/83/52/52/1066835252.db2.gz INQGXWGFXYVRAI-GOSISDBHSA-N 0 0 452.620 4.586 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn(CCC(C)C)c2CC)C1(C)C ZINC001447648724 1066835407 /nfs/dbraw/zinc/83/54/07/1066835407.db2.gz IFEJDJXHUVHPHD-DVECYGJZSA-N 0 0 450.624 4.529 20 0 JJADRN O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCO[C@@H](COc2ccccc2)C1 ZINC001447650404 1066835448 /nfs/dbraw/zinc/83/54/48/1066835448.db2.gz BDTSRBJSDJPXGA-OAQYLSRUSA-N 0 0 458.436 4.813 20 0 JJADRN CCc1c(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cnn1CCC(C)C ZINC001447651943 1066836111 /nfs/dbraw/zinc/83/61/11/1066836111.db2.gz QWBMIIWLPOQWBT-UHFFFAOYSA-N 0 0 453.612 4.704 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cs1 ZINC001492691141 1066836312 /nfs/dbraw/zinc/83/63/12/1066836312.db2.gz YMYRDQKWRPLFMP-HXUWFJFHSA-N 0 0 464.010 4.855 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)Cc3ccc(OC)c(OC)c3Cl)n2)cc1 ZINC001457464770 1066836350 /nfs/dbraw/zinc/83/63/50/1066836350.db2.gz RWHGGVDDWLWHDB-UHFFFAOYSA-N 0 0 451.957 4.550 20 0 JJADRN COC(=O)c1nc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)sc1C1CC1 ZINC001447653483 1066836599 /nfs/dbraw/zinc/83/65/99/1066836599.db2.gz MJFKCFDOFDQEDR-UHFFFAOYSA-N 0 0 450.442 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC001447653939 1066836675 /nfs/dbraw/zinc/83/66/75/1066836675.db2.gz YENWRABOSVWVAZ-UHFFFAOYSA-N 0 0 451.405 4.761 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](CC(C)C)C2)n[nH]1 ZINC001492691711 1066836649 /nfs/dbraw/zinc/83/66/49/1066836649.db2.gz LQKHSZSGQIARFP-QGZVFWFLSA-N 0 0 460.051 4.765 20 0 JJADRN COc1ccc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)c(OC(F)F)c1 ZINC001457467303 1066836813 /nfs/dbraw/zinc/83/68/13/1066836813.db2.gz XRJMXIDLROPXGX-UHFFFAOYSA-N 0 0 452.410 4.625 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001457467932 1066836844 /nfs/dbraw/zinc/83/68/44/1066836844.db2.gz GBJAGZFYCBHPAQ-CHWSQXEVSA-N 0 0 455.258 4.545 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1NC(=O)c1ccccc1F ZINC001457469615 1066837434 /nfs/dbraw/zinc/83/74/34/1066837434.db2.gz AYUGRIRTQNVFBN-IAQAZVPISA-N 0 0 452.551 4.957 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2ccc(O[C@H]3CCOC3)cc2)c2cc(F)ccc2OC)c1 ZINC001457469368 1066837485 /nfs/dbraw/zinc/83/74/85/1066837485.db2.gz AMLCTZUUMLJIOC-WIOPSUGQSA-N 0 0 451.494 4.530 20 0 JJADRN C/C(=C\C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC001447659718 1066837919 /nfs/dbraw/zinc/83/79/19/1066837919.db2.gz DHJMEMLOSHEIER-DKGMDFAASA-N 0 0 456.302 4.839 20 0 JJADRN C/C(=C/C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC001447659738 1066837980 /nfs/dbraw/zinc/83/79/80/1066837980.db2.gz DHJMEMLOSHEIER-SCOADAFUSA-N 0 0 456.302 4.839 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(CC(C)C)C(C)C)n[nH]1 ZINC001492692332 1066838006 /nfs/dbraw/zinc/83/80/06/1066838006.db2.gz XLSAURGAWOXLKP-UHFFFAOYSA-N 0 0 453.635 4.695 20 0 JJADRN CCc1c(NC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)cnn1CCC(C)C ZINC001447661817 1066838401 /nfs/dbraw/zinc/83/84/01/1066838401.db2.gz HLUWHGJNGNPNLQ-QFIPXVFZSA-N 0 0 456.587 4.801 20 0 JJADRN C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2)c1ccccc1 ZINC001457472037 1066838414 /nfs/dbraw/zinc/83/84/14/1066838414.db2.gz NKVBPGPIZUGBOH-HXUWFJFHSA-N 0 0 450.579 4.981 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3cccs3)CC2)cs1 ZINC001492693281 1066838777 /nfs/dbraw/zinc/83/87/77/1066838777.db2.gz UONXGWZKFHKEPK-QGZVFWFLSA-N 0 0 458.701 4.603 20 0 JJADRN Cc1noc([C@@H](OC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c2ccccc2)n1 ZINC001457474565 1066839156 /nfs/dbraw/zinc/83/91/56/1066839156.db2.gz FCVNIVGBRUJTLN-IBGZPJMESA-N 0 0 453.296 4.581 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)c1ccc(C)cc1 ZINC001457477105 1066839614 /nfs/dbraw/zinc/83/96/14/1066839614.db2.gz NROWRWUKHLGWIL-DEOSSOPVSA-N 0 0 456.498 4.663 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001447667665 1066839866 /nfs/dbraw/zinc/83/98/66/1066839866.db2.gz QRISWCJYIZHHBJ-QGZVFWFLSA-N 0 0 458.327 4.962 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001447678312 1066840366 /nfs/dbraw/zinc/84/03/66/1066840366.db2.gz JPNUIIZOWATIBG-UHFFFAOYSA-N 0 0 452.576 4.842 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)c12 ZINC001457483896 1066840681 /nfs/dbraw/zinc/84/06/81/1066840681.db2.gz YRYXTSUSBCRYOX-PBNKOMEISA-N 0 0 452.605 4.576 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(c2nnc(C(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001492694987 1066840540 /nfs/dbraw/zinc/84/05/40/1066840540.db2.gz WUISSKQSTSWERM-UHFFFAOYSA-N 0 0 481.645 4.816 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)F)cs1 ZINC001492694853 1066840551 /nfs/dbraw/zinc/84/05/51/1066840551.db2.gz LZCDSSHJTIHGBV-GOSISDBHSA-N 0 0 469.508 4.883 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457483528 1066840727 /nfs/dbraw/zinc/84/07/27/1066840727.db2.gz MQBDIVOYOGDCRD-NVXWUHKLSA-N 0 0 456.892 4.679 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001545999312 1066840753 /nfs/dbraw/zinc/84/07/53/1066840753.db2.gz KYVFVAQASIWMQH-NRFANRHFSA-N 0 0 456.635 4.584 20 0 JJADRN CC[C@H](CNC(=O)c1ccc2c(Br)cnn2c1)Oc1cccc(C(F)(F)F)c1 ZINC001457483954 1066841139 /nfs/dbraw/zinc/84/11/39/1066841139.db2.gz YWAGQTKFAIPWRQ-CQSZACIVSA-N 0 0 456.262 4.703 20 0 JJADRN O=C(NC1CCC2(CCOCC2)CC1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001457486142 1066841149 /nfs/dbraw/zinc/84/11/49/1066841149.db2.gz PQKMMJOADCZELA-UHFFFAOYSA-N 0 0 459.324 4.678 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC001457487502 1066841197 /nfs/dbraw/zinc/84/11/97/1066841197.db2.gz AHESPHUBSDDDMU-UHFFFAOYSA-N 0 0 451.376 4.712 20 0 JJADRN CCCc1c(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001447686544 1066841718 /nfs/dbraw/zinc/84/17/18/1066841718.db2.gz FEAYFAKDRBRZHK-HXUWFJFHSA-N 0 0 452.502 4.677 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C3CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492695207 1066841714 /nfs/dbraw/zinc/84/17/14/1066841714.db2.gz SONBDOPBIFQUJM-HNAYVOBHSA-N 0 0 460.648 4.765 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001447690141 1066842144 /nfs/dbraw/zinc/84/21/44/1066842144.db2.gz OGWOVQLFPLRKDX-FOIQADDNSA-N 0 0 457.796 4.708 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCc2ccco2)s1 ZINC001492695442 1066842233 /nfs/dbraw/zinc/84/22/33/1066842233.db2.gz BPSIWNFUYXDLKC-UHFFFAOYSA-N 0 0 478.622 4.553 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1c(C)cc(C)c(Br)c1C)c1ccc(Cl)cc1 ZINC001457491874 1066842353 /nfs/dbraw/zinc/84/23/53/1066842353.db2.gz VQIQGQSBOBCGPC-SFHVURJKSA-N 0 0 452.776 4.991 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc4cccnc43)n2CC(F)(F)Br)s1 ZINC001492695516 1066842768 /nfs/dbraw/zinc/84/27/68/1066842768.db2.gz DQWJJQIYHFMSPO-UHFFFAOYSA-N 0 0 479.354 4.882 20 0 JJADRN O=C(N[C@@H](C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC001447691975 1066842830 /nfs/dbraw/zinc/84/28/30/1066842830.db2.gz JEZASTHNVKWNPN-FCHUYYIVSA-N 0 0 457.357 4.704 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)NCC[C@@H](O)c3ccc(Cl)c(Cl)c3)n2)cc1F ZINC001447690993 1066842923 /nfs/dbraw/zinc/84/29/23/1066842923.db2.gz HPESACOCERBAFU-GOSISDBHSA-N 0 0 452.313 4.663 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2CCc2ccccc2OC(F)F)s1 ZINC001492695592 1066842799 /nfs/dbraw/zinc/84/27/99/1066842799.db2.gz HLCCCGSGCRQTCJ-UHFFFAOYSA-N 0 0 458.538 4.529 20 0 JJADRN Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001457494380 1066842906 /nfs/dbraw/zinc/84/29/06/1066842906.db2.gz JQXYQRYGDKNLCH-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)n1 ZINC001457499264 1066843460 /nfs/dbraw/zinc/84/34/60/1066843460.db2.gz USBJTSGLJGAWJE-GOSISDBHSA-N 0 0 457.534 4.644 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cn1 ZINC001457498723 1066843569 /nfs/dbraw/zinc/84/35/69/1066843569.db2.gz ITWIKEGUVKNSJM-UHFFFAOYSA-N 0 0 451.508 4.623 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CSCCS2)s1 ZINC001492695840 1066843543 /nfs/dbraw/zinc/84/35/43/1066843543.db2.gz BPLVQEIGUYHFHZ-KRWDZBQOSA-N 0 0 452.074 4.848 20 0 JJADRN COC(=O)CC1(NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CCC1 ZINC001457499828 1066844133 /nfs/dbraw/zinc/84/41/33/1066844133.db2.gz XSGAJDZYEIUZHR-UHFFFAOYSA-N 0 0 452.334 4.797 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCCCO)s1 ZINC001492695962 1066844683 /nfs/dbraw/zinc/84/46/83/1066844683.db2.gz RWAKLKFHQAPFMB-UHFFFAOYSA-N 0 0 477.725 4.792 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001447705411 1066845012 /nfs/dbraw/zinc/84/50/12/1066845012.db2.gz PSNGARMCXZUMDE-SGTLLEGYSA-N 0 0 450.284 4.842 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545999541 1066845139 /nfs/dbraw/zinc/84/51/39/1066845139.db2.gz PNVKGGSHPGUOCS-OALUTQOASA-N 0 0 477.650 4.643 20 0 JJADRN CC(C)=CCNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001447709754 1066845882 /nfs/dbraw/zinc/84/58/82/1066845882.db2.gz XXWGGHKYVOAEKQ-UHFFFAOYSA-N 0 0 454.514 4.682 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)c2)n1 ZINC001457507608 1066845933 /nfs/dbraw/zinc/84/59/33/1066845933.db2.gz IRMDIJVQNATTAL-CQSZACIVSA-N 0 0 459.333 4.906 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001447717482 1066846322 /nfs/dbraw/zinc/84/63/22/1066846322.db2.gz GPPJTKBTGKWKCN-LEWJYISDSA-N 0 0 456.970 4.534 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cn1 ZINC001447715527 1066846481 /nfs/dbraw/zinc/84/64/81/1066846481.db2.gz GOOJNVODNQQBPW-IBGZPJMESA-N 0 0 453.411 4.576 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(S(C)(=O)=O)c(Cl)cc3Cl)c2)n1 ZINC001457509455 1066846482 /nfs/dbraw/zinc/84/64/82/1066846482.db2.gz PAVDLQFJHVSYMH-UHFFFAOYSA-N 0 0 454.335 4.570 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)s1 ZINC001492696382 1066846651 /nfs/dbraw/zinc/84/66/51/1066846651.db2.gz LRTDYUWKTCAUPB-INIZCTEOSA-N 0 0 491.061 4.614 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NC(C)C)s1 ZINC001492696383 1066846682 /nfs/dbraw/zinc/84/66/82/1066846682.db2.gz LRTDYUWKTCAUPB-MRXNPFEDSA-N 0 0 491.061 4.614 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCC2)s1 ZINC001492696504 1066847077 /nfs/dbraw/zinc/84/70/77/1066847077.db2.gz OJDZAYUTFWJXJE-UHFFFAOYSA-N 0 0 476.444 4.804 20 0 JJADRN COc1ccccc1C[C@@H](NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)C ZINC001457510079 1066847214 /nfs/dbraw/zinc/84/72/14/1066847214.db2.gz SUWYDSBIDVJETG-RUZDIDTESA-N 0 0 455.558 4.700 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2cccnc2)C(C)C)s1 ZINC001492696523 1066847187 /nfs/dbraw/zinc/84/71/87/1066847187.db2.gz PAZHPPZUCLQRET-DHLKQENFSA-N 0 0 484.670 4.555 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC001492696531 1066847201 /nfs/dbraw/zinc/84/72/01/1066847201.db2.gz PFNHXNVZPKFMFC-ZJCBTPCYSA-N 0 0 491.702 4.561 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCc3cccc(OC(F)F)c3)c2C)ccn1 ZINC001457512510 1066847219 /nfs/dbraw/zinc/84/72/19/1066847219.db2.gz BBGIGXCIJAUIET-UHFFFAOYSA-N 0 0 456.445 4.682 20 0 JJADRN Cc1ccc(C[C@H](CO)NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 ZINC001447725482 1066847677 /nfs/dbraw/zinc/84/76/77/1066847677.db2.gz JTIOYFOEJUPGGF-AREMUKBSSA-N 0 0 453.586 4.857 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC001447729022 1066848266 /nfs/dbraw/zinc/84/82/66/1066848266.db2.gz HGFXWXFNPNRKEO-AHWVRZQESA-N 0 0 452.526 4.513 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001457515165 1066848261 /nfs/dbraw/zinc/84/82/61/1066848261.db2.gz MXFLUXPSBYRBIF-QGZVFWFLSA-N 0 0 451.369 4.661 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001457516723 1066848368 /nfs/dbraw/zinc/84/83/68/1066848368.db2.gz HZDLQIXPXAGJQR-UHFFFAOYSA-N 0 0 457.958 4.626 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Oc1ccccc1F ZINC001545999824 1066848876 /nfs/dbraw/zinc/84/88/76/1066848876.db2.gz USSYYQDDZCZTJS-IDISGSTGSA-N 0 0 481.616 4.902 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC(F)(F)F)s1 ZINC001492696960 1066848966 /nfs/dbraw/zinc/84/89/66/1066848966.db2.gz CHGYBKKTIDZUNB-LJQANCHMSA-N 0 0 481.544 4.910 20 0 JJADRN Cc1nc(NC(=O)c2cnc(C(F)(F)F)nc2)sc1-c1nc2ccccc2n1C(F)F ZINC001457517984 1066849611 /nfs/dbraw/zinc/84/96/11/1066849611.db2.gz XRENTJJBNTVUQY-UHFFFAOYSA-N 0 0 454.384 4.924 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC001457519134 1066850081 /nfs/dbraw/zinc/85/00/81/1066850081.db2.gz PZYDBMJZJVLAJL-LLVKDONJSA-N 0 0 450.720 4.576 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545999998 1066850775 /nfs/dbraw/zinc/85/07/75/1066850775.db2.gz YPSIDMLSXFBVKW-NJDAHSKKSA-N 0 0 468.646 4.584 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC001447741904 1066850810 /nfs/dbraw/zinc/85/08/10/1066850810.db2.gz JIFGQCHGFUETRT-SFHVURJKSA-N 0 0 452.636 4.630 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCOc1ncccc1Cl ZINC001457523650 1066851485 /nfs/dbraw/zinc/85/14/85/1066851485.db2.gz PKHXJSLUSGVIFV-CYBMUJFWSA-N 0 0 452.363 4.860 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCOc1ncccc1Cl)CC1CCCCC1 ZINC001457525309 1066851775 /nfs/dbraw/zinc/85/17/75/1066851775.db2.gz YSGVWGWYKBWXIN-SFHVURJKSA-N 0 0 454.011 4.874 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC2)s1 ZINC001492698703 1066852326 /nfs/dbraw/zinc/85/23/26/1066852326.db2.gz IUJGNTLSJPVJLN-SFHVURJKSA-N 0 0 455.628 4.592 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)s1 ZINC001492698838 1066852792 /nfs/dbraw/zinc/85/27/92/1066852792.db2.gz NUNPRCRXHCNYNK-QFIPXVFZSA-N 0 0 490.054 4.881 20 0 JJADRN CC(C)[C@H]1CN(C(=O)C/C=C/c2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001447750848 1066852893 /nfs/dbraw/zinc/85/28/93/1066852893.db2.gz AQIOXZFZPWVXRK-OVKVCFKUSA-N 0 0 451.405 4.956 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1c(C)noc1C)NC(=O)OC(C)(C)C ZINC001546000061 1066852909 /nfs/dbraw/zinc/85/29/09/1066852909.db2.gz ZPEZQFGZMLAPOC-LJQANCHMSA-N 0 0 486.592 4.553 20 0 JJADRN CCCCOc1ccc(CNC(=O)c2cc(I)ccc2N)cc1Cl ZINC001447751762 1066852994 /nfs/dbraw/zinc/85/29/94/1066852994.db2.gz KGAZLJZOKFSHFF-UHFFFAOYSA-N 0 0 458.727 4.636 20 0 JJADRN CC[C@H](c1nnc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)s1)c1ccccc1 ZINC001457533091 1066853835 /nfs/dbraw/zinc/85/38/35/1066853835.db2.gz SRLBZLRCVSYVJH-SFHVURJKSA-N 0 0 451.548 4.843 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@H](C)C2)s1 ZINC001492699101 1066854222 /nfs/dbraw/zinc/85/42/22/1066854222.db2.gz YBDVURQXQHZSNL-KRZXBLKESA-N 0 0 461.676 4.803 20 0 JJADRN CCC1(CC)CN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)c2ccc(Br)cc21 ZINC001457536110 1066854197 /nfs/dbraw/zinc/85/41/97/1066854197.db2.gz DUALRAMQXJJLNH-HNNXBMFYSA-N 0 0 457.368 4.668 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001457536307 1066854342 /nfs/dbraw/zinc/85/43/42/1066854342.db2.gz UPUFBPNTDPZJLB-KRWDZBQOSA-N 0 0 451.954 4.840 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492699245 1066854873 /nfs/dbraw/zinc/85/48/73/1066854873.db2.gz BTGOJDHGMUKFSA-UKRRQHHQSA-N 0 0 451.518 4.852 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492699320 1066854922 /nfs/dbraw/zinc/85/49/22/1066854922.db2.gz FORQXSLQOSADSB-CABCVRRESA-N 0 0 462.019 4.888 20 0 JJADRN O=C(c1nccc(Cl)c1F)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001447761531 1066854861 /nfs/dbraw/zinc/85/48/61/1066854861.db2.gz JYAJOUNLXFQFEF-CYBMUJFWSA-N 0 0 451.683 4.664 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1C=O ZINC001447759162 1066854897 /nfs/dbraw/zinc/85/48/97/1066854897.db2.gz FQCROASYKVFPEB-LJQANCHMSA-N 0 0 454.324 4.906 20 0 JJADRN CCC1(CC)CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2ccc(Br)cc21 ZINC001457540417 1066855765 /nfs/dbraw/zinc/85/57/65/1066855765.db2.gz KHWWQPHEVWPEDQ-UHFFFAOYSA-N 0 0 454.372 4.516 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457539269 1066855936 /nfs/dbraw/zinc/85/59/36/1066855936.db2.gz JVQLAUBPMDQEHZ-YTFSRNRJSA-N 0 0 459.428 4.739 20 0 JJADRN Cc1ncc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001492700371 1066856108 /nfs/dbraw/zinc/85/61/08/1066856108.db2.gz BSYJXFLRZCMIAZ-UHFFFAOYSA-N 0 0 464.561 4.635 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2CC(F)C2)s1 ZINC001492700265 1066856139 /nfs/dbraw/zinc/85/61/39/1066856139.db2.gz JZPMKYHPKVIFFX-UHFFFAOYSA-N 0 0 468.371 4.844 20 0 JJADRN Cc1ncc(Cn2c(-c3cccnc3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492700185 1066856168 /nfs/dbraw/zinc/85/61/68/1066856168.db2.gz GRBGKMANTXPSQO-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c1 ZINC001447785059 1066856393 /nfs/dbraw/zinc/85/63/93/1066856393.db2.gz JJUSUAZQPCFVJX-UHFFFAOYSA-N 0 0 457.958 4.955 20 0 JJADRN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 ZINC001457542595 1066856486 /nfs/dbraw/zinc/85/64/86/1066856486.db2.gz NGRPGVXKRXNSAV-APWZRJJASA-N 0 0 452.407 4.747 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1ncc(Cc2ccccc2F)s1)C(F)(F)F ZINC001457540893 1066856549 /nfs/dbraw/zinc/85/65/49/1066856549.db2.gz FZGSNAOGORIBJH-FQEVSTJZSA-N 0 0 453.461 4.627 20 0 JJADRN C=Cc1ccc(C(=O)N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1 ZINC001457541698 1066856564 /nfs/dbraw/zinc/85/65/64/1066856564.db2.gz KPTRGSBOUHQJCJ-INIZCTEOSA-N 0 0 456.468 4.917 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1c(F)cccc1Cl ZINC001457542762 1066857027 /nfs/dbraw/zinc/85/70/27/1066857027.db2.gz GKEZXQCVSQEIDG-UHFFFAOYSA-N 0 0 456.930 4.771 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)Oc1cccc(Cl)c1 ZINC001457545548 1066857150 /nfs/dbraw/zinc/85/71/50/1066857150.db2.gz IMLRLJCHLNJAHN-PBHICJAKSA-N 0 0 451.748 4.502 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C(F)(F)F ZINC001457544591 1066857404 /nfs/dbraw/zinc/85/74/04/1066857404.db2.gz BBLUFWZRPAWNRU-HXUWFJFHSA-N 0 0 453.461 4.627 20 0 JJADRN CC(C)CC(=O)N[C@H](C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC001447789357 1066857708 /nfs/dbraw/zinc/85/77/08/1066857708.db2.gz CWYBQMNCEHRTAR-NRFANRHFSA-N 0 0 450.476 4.896 20 0 JJADRN CC(C)CC(=O)N[C@@H](C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC001447789359 1066857715 /nfs/dbraw/zinc/85/77/15/1066857715.db2.gz CWYBQMNCEHRTAR-OAQYLSRUSA-N 0 0 450.476 4.896 20 0 JJADRN Cc1cc(-n2c(C)cc(C(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c2C)no1 ZINC001447789661 1066857785 /nfs/dbraw/zinc/85/77/85/1066857785.db2.gz GKSHMZZQIRMGNP-UHFFFAOYSA-N 0 0 450.539 4.571 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)c12 ZINC001447792110 1066858227 /nfs/dbraw/zinc/85/82/27/1066858227.db2.gz AWSPYAWWAWHHTC-SZNDQCEHSA-N 0 0 451.420 4.551 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)C)n3Cc3ccc(OCC(C)C)cc3)CC2)s1 ZINC001492701882 1066859348 /nfs/dbraw/zinc/85/93/48/1066859348.db2.gz KAZYKYLPHYRYCX-UHFFFAOYSA-N 0 0 468.671 4.572 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001447793979 1066859754 /nfs/dbraw/zinc/85/97/54/1066859754.db2.gz KMOJTTYGMDXAEP-XXBNENTESA-N 0 0 452.378 4.690 20 0 JJADRN Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)CCc3cccc(Br)c3)c1-2 ZINC001457553992 1066859812 /nfs/dbraw/zinc/85/98/12/1066859812.db2.gz KAUOHRJBAXJWDH-UHFFFAOYSA-N 0 0 456.319 4.589 20 0 JJADRN CO[C@@H](C(=O)Nc1nnc(SCc2cccs2)s1)c1ccccc1Br ZINC001457555256 1066859891 /nfs/dbraw/zinc/85/98/91/1066859891.db2.gz MVZJHJIDAHUUAX-CYBMUJFWSA-N 0 0 456.412 4.981 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)s1 ZINC001492701944 1066860016 /nfs/dbraw/zinc/86/00/16/1066860016.db2.gz MGQGJJWXIWWHOU-TZIWHRDSSA-N 0 0 474.719 4.718 20 0 JJADRN COc1cccc(N(CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C(=O)OC(C)(C)C)c1 ZINC001457559615 1066861333 /nfs/dbraw/zinc/86/13/33/1066861333.db2.gz XKPXGRBLJQVYMM-UHFFFAOYSA-N 0 0 457.918 4.514 20 0 JJADRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001457560017 1066861373 /nfs/dbraw/zinc/86/13/73/1066861373.db2.gz CAUZAQHNIMTSHS-UHFFFAOYSA-N 0 0 457.481 4.741 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NOCc1ccc(F)cc1Br ZINC001447800635 1066861421 /nfs/dbraw/zinc/86/14/21/1066861421.db2.gz GJLOHNPFLXFBOX-MAUKXSAKSA-N 0 0 457.137 4.876 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NOCc1ccc(F)cc1Br ZINC001447800642 1066861434 /nfs/dbraw/zinc/86/14/34/1066861434.db2.gz GJLOHNPFLXFBOX-QAPCUYQASA-N 0 0 457.137 4.876 20 0 JJADRN Cc1cc(C(=O)NOCc2ccc(F)cc2Br)nc(-c2ccc(Cl)cc2)n1 ZINC001447801534 1066861450 /nfs/dbraw/zinc/86/14/50/1066861450.db2.gz IIZBGSRTVLUHOX-UHFFFAOYSA-N 0 0 450.695 4.869 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1CC1 ZINC001447801229 1066861595 /nfs/dbraw/zinc/86/15/95/1066861595.db2.gz HZNQTOMKRMAWLH-SFHVURJKSA-N 0 0 455.605 4.783 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(F)(F)F ZINC001457563164 1066861998 /nfs/dbraw/zinc/86/19/98/1066861998.db2.gz INFMCYSXVXRWDY-FQEVSTJZSA-N 0 0 453.486 4.770 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)O[C@H](C)C2 ZINC001457563203 1066862011 /nfs/dbraw/zinc/86/20/11/1066862011.db2.gz IPQWIVNGNJMNCG-BURYYESISA-N 0 0 452.473 4.709 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)NCC1(c2cccc(F)c2)CCCCC1)C(F)(F)F ZINC001457563133 1066862216 /nfs/dbraw/zinc/86/22/16/1066862216.db2.gz DLTBZCFZTPBJIY-QHCPKHFHSA-N 0 0 452.492 4.959 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2cc3ccccc3s2)c(C)c1C ZINC001447801837 1066862371 /nfs/dbraw/zinc/86/23/71/1066862371.db2.gz ZVCZYVHSTMIKPW-LJQANCHMSA-N 0 0 458.649 4.989 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)nn1[C@H](C)C1CC1 ZINC001457563734 1066862626 /nfs/dbraw/zinc/86/26/26/1066862626.db2.gz AFJMSAJMZKAMQB-MRXNPFEDSA-N 0 0 456.543 4.663 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001447810152 1066863763 /nfs/dbraw/zinc/86/37/63/1066863763.db2.gz OJGGERHSWKCGIL-QGZVFWFLSA-N 0 0 452.938 4.789 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(-c3csc(C)n3)s2)cc1 ZINC001457565616 1066864106 /nfs/dbraw/zinc/86/41/06/1066864106.db2.gz ONLRCDUHGYKPFN-HNNXBMFYSA-N 0 0 457.621 4.966 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)c1ccc(-n2cccc2)cc1 ZINC001447810391 1066864434 /nfs/dbraw/zinc/86/44/34/1066864434.db2.gz PKQHWJCMFKXLIV-UHFFFAOYSA-N 0 0 457.368 4.662 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2I)c(Br)n1 ZINC001457567542 1066864772 /nfs/dbraw/zinc/86/47/72/1066864772.db2.gz QHOLERHUDAXYDO-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1cc(C)cc(OCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC001457568567 1066865296 /nfs/dbraw/zinc/86/52/96/1066865296.db2.gz XYSNPNLDYSAUFK-NRFANRHFSA-N 0 0 451.394 4.950 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F ZINC001457568668 1066865303 /nfs/dbraw/zinc/86/53/03/1066865303.db2.gz XENRAAMPCIOKPX-IBGZPJMESA-N 0 0 455.440 4.745 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC001457567724 1066865312 /nfs/dbraw/zinc/86/53/12/1066865312.db2.gz RFZYWJDQFRTEOV-SFHVURJKSA-N 0 0 456.852 4.910 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001457567989 1066865355 /nfs/dbraw/zinc/86/53/55/1066865355.db2.gz QRUFQDWDISJBBC-IBGZPJMESA-N 0 0 451.311 4.905 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccn1 ZINC001492705862 1066866142 /nfs/dbraw/zinc/86/61/42/1066866142.db2.gz UNWLOIWTBDHVHN-UHFFFAOYSA-N 0 0 486.443 4.786 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CCCc3ccccc3)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705714 1066866156 /nfs/dbraw/zinc/86/61/56/1066866156.db2.gz PCHMKROPBIDBFS-UHFFFAOYSA-N 0 0 457.626 4.873 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1CSC)Oc1cccc(F)c1 ZINC001546000764 1066866289 /nfs/dbraw/zinc/86/62/89/1066866289.db2.gz AJESOHMTSJTOHS-RTWAWAEBSA-N 0 0 455.603 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2cnn(-c3ccccc3F)c2)(c2ccccc2)C1 ZINC001457570764 1066866634 /nfs/dbraw/zinc/86/66/34/1066866634.db2.gz HQUQKAQLJZCRPO-VWLOTQADSA-N 0 0 450.514 4.529 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)nc3C)[C@@H]2c2ccccc2OC)cc1 ZINC001457570198 1066866750 /nfs/dbraw/zinc/86/67/50/1066866750.db2.gz DQOKGAXHEIEPMA-GJZUVCINSA-N 0 0 459.546 4.839 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)nc3C)[C@H]2c2ccccc2OC)cc1 ZINC001457570183 1066866759 /nfs/dbraw/zinc/86/67/59/1066866759.db2.gz DQOKGAXHEIEPMA-BKMJKUGQSA-N 0 0 459.546 4.839 20 0 JJADRN COC(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1Br ZINC001447833262 1066866988 /nfs/dbraw/zinc/86/69/88/1066866988.db2.gz FHYNGSVMTWYUSE-UHFFFAOYSA-N 0 0 452.102 4.732 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)Cc1ncccc1F ZINC001447837117 1066867014 /nfs/dbraw/zinc/86/70/14/1066867014.db2.gz MNDHFFVACJCMCX-NZQKXSOJSA-N 0 0 455.574 4.528 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706140 1066867419 /nfs/dbraw/zinc/86/74/19/1066867419.db2.gz DIRXATDMBZPHAP-DHIUTWEWSA-N 0 0 486.705 4.966 20 0 JJADRN COCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC001447843549 1066867514 /nfs/dbraw/zinc/86/75/14/1066867514.db2.gz SKMYKEXALDDYAU-IFMALSPDSA-N 0 0 456.583 4.804 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001447837601 1066867596 /nfs/dbraw/zinc/86/75/96/1066867596.db2.gz MXLVYONSPOEMCU-OFNKIYASSA-N 0 0 457.412 4.744 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001457573374 1066867840 /nfs/dbraw/zinc/86/78/40/1066867840.db2.gz KCQBJTCVWVDJNY-MRXNPFEDSA-N 0 0 453.178 4.691 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001447846732 1066868982 /nfs/dbraw/zinc/86/89/82/1066868982.db2.gz MIIGHFBPIAAIMS-UNMCSNQZSA-N 0 0 455.396 4.720 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706704 1066869152 /nfs/dbraw/zinc/86/91/52/1066869152.db2.gz XCGOSWQIHRRHML-QHCPKHFHSA-N 0 0 484.620 4.765 20 0 JJADRN O=C(CCCc1ccc(Cl)c(Cl)c1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001457575548 1066869124 /nfs/dbraw/zinc/86/91/24/1066869124.db2.gz HRCHKUARLRTTSW-UHFFFAOYSA-N 0 0 454.829 4.908 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)NCc1ccc(C)cc1OCCC(C)C)N1C(=O)c2ccccc2C1=O ZINC001457576937 1066869700 /nfs/dbraw/zinc/86/97/00/1066869700.db2.gz SQHGGSCGQXRKNA-DVECYGJZSA-N 0 0 450.579 4.747 20 0 JJADRN C[C@H](C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)n1ccc2ccccc2c1=O ZINC001447850007 1066869765 /nfs/dbraw/zinc/86/97/65/1066869765.db2.gz VJZCOVCTUDUOTL-IERDGZPVSA-N 0 0 453.380 4.853 20 0 JJADRN COCc1[nH]nc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)c1-c1ccc(Cl)cc1 ZINC001457577712 1066869726 /nfs/dbraw/zinc/86/97/26/1066869726.db2.gz YLFVYXFOOFPUIQ-UHFFFAOYSA-N 0 0 457.918 4.871 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC001447859609 1066870315 /nfs/dbraw/zinc/87/03/15/1066870315.db2.gz OSUADKVHYQJDMR-KDOFPFPSSA-N 0 0 455.393 4.672 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492707395 1066870602 /nfs/dbraw/zinc/87/06/02/1066870602.db2.gz UGGGVXCGGYOXMN-UHFFFAOYSA-N 0 0 489.590 4.522 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001457581872 1066870703 /nfs/dbraw/zinc/87/07/03/1066870703.db2.gz FPODCUXDVYZWJJ-OKDASEJXSA-N 0 0 458.599 4.930 20 0 JJADRN Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)sc1C ZINC001457581089 1066870839 /nfs/dbraw/zinc/87/08/39/1066870839.db2.gz DVBDULOJUMYVMV-AUSIDOKSSA-N 0 0 453.633 4.973 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC001457580961 1066870932 /nfs/dbraw/zinc/87/09/32/1066870932.db2.gz DDCWHDPDVFGFFX-UHFFFAOYSA-N 0 0 452.389 4.816 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(Cl)c(Cl)c1 ZINC001447862810 1066870980 /nfs/dbraw/zinc/87/09/80/1066870980.db2.gz UAZKVXPBVIFMKS-GOSISDBHSA-N 0 0 458.392 4.549 20 0 JJADRN NC(=O)NCCCCCC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 ZINC001457585234 1066871379 /nfs/dbraw/zinc/87/13/79/1066871379.db2.gz BFGMSTZENCOKHR-UHFFFAOYSA-N 0 0 454.518 4.797 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1ccc(OCC(C)C)c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC001447864218 1066871446 /nfs/dbraw/zinc/87/14/46/1066871446.db2.gz VFUHGBCZBXWLMN-QFIPXVFZSA-N 0 0 454.350 4.855 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001447867581 1066872210 /nfs/dbraw/zinc/87/22/10/1066872210.db2.gz OTAOIHQZRMOOAS-KRWDZBQOSA-N 0 0 452.523 4.789 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492708482 1066872495 /nfs/dbraw/zinc/87/24/95/1066872495.db2.gz BUNCSUFYDYJNBH-INIZCTEOSA-N 0 0 493.439 4.763 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492708294 1066872514 /nfs/dbraw/zinc/87/25/14/1066872514.db2.gz WANXCHVUKRVBND-KCZVDYSFSA-N 0 0 485.677 4.613 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1)OCc1ccccc1 ZINC001457588395 1066872705 /nfs/dbraw/zinc/87/27/05/1066872705.db2.gz SGNFHDWKIANDRZ-DEOSSOPVSA-N 0 0 450.966 4.927 20 0 JJADRN COc1cc(Br)c(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1OC ZINC001457589391 1066872741 /nfs/dbraw/zinc/87/27/41/1066872741.db2.gz CQFQLQRPNJKUIP-UHFFFAOYSA-N 0 0 455.761 4.702 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)C1 ZINC001492709021 1066873121 /nfs/dbraw/zinc/87/31/21/1066873121.db2.gz UHTQEUHMPYQCLK-UHFFFAOYSA-N 0 0 481.403 4.943 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001447874319 1066873455 /nfs/dbraw/zinc/87/34/55/1066873455.db2.gz WQPJWBYMRFUFIA-WBMJQRKESA-N 0 0 458.340 4.574 20 0 JJADRN Cc1nccn1CCCn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001492709334 1066873943 /nfs/dbraw/zinc/87/39/43/1066873943.db2.gz GJKITKKNVLNQHU-HXUWFJFHSA-N 0 0 487.446 4.511 20 0 JJADRN CN(C(=O)CSCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)C1CCCCC1 ZINC001457592268 1066873981 /nfs/dbraw/zinc/87/39/81/1066873981.db2.gz UENBZOCUTOROMP-UHFFFAOYSA-N 0 0 454.558 4.845 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)Oc1cccc(F)c1 ZINC001546001156 1066874047 /nfs/dbraw/zinc/87/40/47/1066874047.db2.gz HXRLZNHJHLBWSZ-AZUAARDMSA-N 0 0 459.516 4.742 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1cccc(F)c1 ZINC001546001159 1066874241 /nfs/dbraw/zinc/87/42/41/1066874241.db2.gz HXRLZNHJHLBWSZ-UYAOXDASSA-N 0 0 459.516 4.742 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC001457595331 1066874733 /nfs/dbraw/zinc/87/47/33/1066874733.db2.gz HONQCIWCMJSFIP-UHFFFAOYSA-N 0 0 452.942 4.703 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC001457598074 1066875203 /nfs/dbraw/zinc/87/52/03/1066875203.db2.gz XZMSLLAIOMJIGA-UHFFFAOYSA-N 0 0 451.523 4.694 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1ccc(Br)s1 ZINC001457597544 1066875297 /nfs/dbraw/zinc/87/52/97/1066875297.db2.gz ZKXYPFXAHXZMFH-LLVKDONJSA-N 0 0 454.777 4.762 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccc(OC)c(Cl)c1 ZINC001447910318 1066875407 /nfs/dbraw/zinc/87/54/07/1066875407.db2.gz XKCSZPFMGZFGJZ-IVZQSRNASA-N 0 0 454.910 4.528 20 0 JJADRN O=C(c1csc(COc2ccc(F)cc2)n1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447909391 1066875430 /nfs/dbraw/zinc/87/54/30/1066875430.db2.gz WZFPZCJDXOUTEH-LJQANCHMSA-N 0 0 450.894 4.867 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)c1cc(F)cc(Br)c1 ZINC001447905182 1066875504 /nfs/dbraw/zinc/87/55/04/1066875504.db2.gz PKIRILIINBRSKK-IGKNDFSCSA-N 0 0 455.368 4.705 20 0 JJADRN O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001457603587 1066875918 /nfs/dbraw/zinc/87/59/18/1066875918.db2.gz DWUHVUWVSQCWAW-UHFFFAOYSA-N 0 0 455.486 4.713 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(OC)c(Cl)c1 ZINC001447910581 1066875951 /nfs/dbraw/zinc/87/59/51/1066875951.db2.gz YIFCTLGAPPXERT-LJQANCHMSA-N 0 0 456.907 4.862 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492711860 1066876638 /nfs/dbraw/zinc/87/66/38/1066876638.db2.gz IVWPUOGYZUNKOY-BGYRXZFFSA-N 0 0 450.631 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC[C@H]1C1CC1 ZINC001447918756 1066876802 /nfs/dbraw/zinc/87/68/02/1066876802.db2.gz ZXNQWJMRXVAPDJ-OALUTQOASA-N 0 0 453.505 4.681 20 0 JJADRN CC[C@@](O)(C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001447921061 1066876841 /nfs/dbraw/zinc/87/68/41/1066876841.db2.gz PAQIGUNXCMVYLG-OZXSUGGESA-N 0 0 451.950 4.581 20 0 JJADRN CC[C@](O)(C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001447921058 1066876934 /nfs/dbraw/zinc/87/69/34/1066876934.db2.gz PAQIGUNXCMVYLG-JYFHCDHNSA-N 0 0 451.950 4.581 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1ccc(F)c(C(F)F)c1 ZINC001457610341 1066877469 /nfs/dbraw/zinc/87/74/69/1066877469.db2.gz XIABJNJLJBSODO-UHFFFAOYSA-N 0 0 454.246 4.634 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492711883 1066877683 /nfs/dbraw/zinc/87/76/83/1066877683.db2.gz JWGCTVGLTUEESG-UHFFFAOYSA-N 0 0 468.671 4.692 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001447936546 1066878207 /nfs/dbraw/zinc/87/82/07/1066878207.db2.gz WUTMWWMBFZMRLU-QGZVFWFLSA-N 0 0 452.288 4.674 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1ccccc1F ZINC001546001370 1066878213 /nfs/dbraw/zinc/87/82/13/1066878213.db2.gz MDQFOCOZUNYRNZ-MOPGFXCFSA-N 0 0 459.516 4.742 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cncc(-c2ccccc2)c1 ZINC001447936709 1066878326 /nfs/dbraw/zinc/87/83/26/1066878326.db2.gz GDWJAJVXWQFWPF-UHFFFAOYSA-N 0 0 453.464 4.802 20 0 JJADRN COc1ccc(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)c(Cl)c1 ZINC001457612489 1066878481 /nfs/dbraw/zinc/87/84/81/1066878481.db2.gz BHANDUFPRFGISE-UHFFFAOYSA-N 0 0 453.667 4.596 20 0 JJADRN Cc1nccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1Cl ZINC001492712413 1066878528 /nfs/dbraw/zinc/87/85/28/1066878528.db2.gz CHIOLNQUVNJMQK-DENIHFKCSA-N 0 0 487.048 4.570 20 0 JJADRN CCn1cc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(=O)c2cc(Cl)ccc21 ZINC001457613494 1066878537 /nfs/dbraw/zinc/87/85/37/1066878537.db2.gz GWOAKELKMNVPQD-UHFFFAOYSA-N 0 0 457.811 4.601 20 0 JJADRN O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)c1cnc2ccc(F)cc2c1 ZINC001457612491 1066878576 /nfs/dbraw/zinc/87/85/76/1066878576.db2.gz BHATWPBYUSTPDH-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447938835 1066878719 /nfs/dbraw/zinc/87/87/19/1066878719.db2.gz FFACFTIZHNZQOR-YLJYHZDGSA-N 0 0 458.794 4.679 20 0 JJADRN CN(C(=O)c1csc(Cc2ccccc2F)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447938845 1066878787 /nfs/dbraw/zinc/87/87/87/1066878787.db2.gz FFINXFMYFCWTDU-UYAOXDASSA-N 0 0 451.350 4.910 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492713429 1066879119 /nfs/dbraw/zinc/87/91/19/1066879119.db2.gz JMIFPQUSVLDSFX-MRXNPFEDSA-N 0 0 495.347 4.827 20 0 JJADRN Cc1nccnc1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCCCC1 ZINC001492713563 1066879776 /nfs/dbraw/zinc/87/97/76/1066879776.db2.gz NVQCSXGKSUMTIZ-UHFFFAOYSA-N 0 0 459.367 4.568 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cs1 ZINC001447947688 1066879948 /nfs/dbraw/zinc/87/99/48/1066879948.db2.gz OUKPKVNLZSXAKF-UYAOXDASSA-N 0 0 450.391 4.517 20 0 JJADRN CC(C)C[C@H](CC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)NC(=O)OC(C)(C)C ZINC001447946488 1066880044 /nfs/dbraw/zinc/88/00/44/1066880044.db2.gz OHLSRBFHUJRJKR-LXGCGDOSSA-N 0 0 459.414 4.739 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1-c1ccc(Cl)cc1 ZINC001457617579 1066880204 /nfs/dbraw/zinc/88/02/04/1066880204.db2.gz VDHNZUDJYRLFDR-RUZGCFLTSA-N 0 0 459.999 4.513 20 0 JJADRN Cc1nccnc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 ZINC001492714222 1066880797 /nfs/dbraw/zinc/88/07/97/1066880797.db2.gz DOVBZBHJMSZNOD-UHFFFAOYSA-N 0 0 486.070 4.700 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001492714012 1066880935 /nfs/dbraw/zinc/88/09/35/1066880935.db2.gz AFGYAZNRNAYROG-OAQYLSRUSA-N 0 0 485.430 4.586 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3nccnc3C)C2)sc1C ZINC001492713928 1066881000 /nfs/dbraw/zinc/88/10/00/1066881000.db2.gz AYAKLIFIHWZMPT-LJQANCHMSA-N 0 0 453.660 4.665 20 0 JJADRN COc1ccccc1[C@@](N)(C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)C(F)(F)F ZINC001457617936 1066880933 /nfs/dbraw/zinc/88/09/33/1066880933.db2.gz LENYBYVADQYAKF-ZJSXRUAMSA-N 0 0 458.480 4.716 20 0 JJADRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457618458 1066880990 /nfs/dbraw/zinc/88/09/90/1066880990.db2.gz YTQPOVPUEPDJAM-SJORKVTESA-N 0 0 457.315 4.889 20 0 JJADRN Cc1nccnc1CCn1c(Cc2ccsc2)nnc1N(C)Cc1csc(Br)c1 ZINC001492714093 1066881019 /nfs/dbraw/zinc/88/10/19/1066881019.db2.gz CSAKUFHSDUKSBG-UHFFFAOYSA-N 0 0 489.468 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001447954382 1066881306 /nfs/dbraw/zinc/88/13/06/1066881306.db2.gz CREYSOYCDMTKJL-LEWJYISDSA-N 0 0 454.567 4.597 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001492714623 1066881426 /nfs/dbraw/zinc/88/14/26/1066881426.db2.gz KMKHOKCTNKGRJI-DHLKQENFSA-N 0 0 462.642 4.812 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1 ZINC001447954831 1066881676 /nfs/dbraw/zinc/88/16/76/1066881676.db2.gz XVZYXFLJEHXEGB-HDZZMESHSA-N 0 0 453.391 4.549 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001457620874 1066882025 /nfs/dbraw/zinc/88/20/25/1066882025.db2.gz GPTJCERYYMPOAF-UHFFFAOYSA-N 0 0 450.373 4.647 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCSC1 ZINC001492716929 1066882681 /nfs/dbraw/zinc/88/26/81/1066882681.db2.gz DMDXETJVQUDKID-OAHLLOKOSA-N 0 0 493.450 4.587 20 0 JJADRN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001447958967 1066882811 /nfs/dbraw/zinc/88/28/11/1066882811.db2.gz OSVUXKHVUGOFQL-IAGOWNOFSA-N 0 0 457.596 4.590 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1[C@@H]1C[C@H]1CF ZINC001492717102 1066883107 /nfs/dbraw/zinc/88/31/07/1066883107.db2.gz JHQJEOAXTDJVMP-NZQKXSOJSA-N 0 0 454.594 4.887 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001457622195 1066883155 /nfs/dbraw/zinc/88/31/55/1066883155.db2.gz JIKJLENYQYFENB-SNVBAGLBSA-N 0 0 450.226 4.856 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC001457622502 1066883301 /nfs/dbraw/zinc/88/33/01/1066883301.db2.gz JCAKNNGRCJHJBR-UHFFFAOYSA-N 0 0 459.949 4.686 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(C)c1OCc1cccnc1 ZINC001447959664 1066883209 /nfs/dbraw/zinc/88/32/09/1066883209.db2.gz QJLUQEXMDOMIFL-FGZHOGPDSA-N 0 0 453.583 4.843 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC001457623119 1066883732 /nfs/dbraw/zinc/88/37/32/1066883732.db2.gz ARGWJWCJUVDBSD-UHFFFAOYSA-N 0 0 458.419 4.704 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)C(=O)OC(C)(C)C ZINC001457622664 1066883783 /nfs/dbraw/zinc/88/37/83/1066883783.db2.gz ZRTOZELORAJKOL-SFHVURJKSA-N 0 0 452.345 4.717 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCc1cccc(F)c1 ZINC001492717251 1066883842 /nfs/dbraw/zinc/88/38/42/1066883842.db2.gz ONSFWFAHJHGQAD-UHFFFAOYSA-N 0 0 467.980 4.752 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1 ZINC001457625841 1066884403 /nfs/dbraw/zinc/88/44/03/1066884403.db2.gz JFEMJORPFRGEJX-UHFFFAOYSA-N 0 0 459.481 4.953 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Br)c(Cl)c2)c(OC[C@@H]2CCOC2)c1 ZINC001457626155 1066884411 /nfs/dbraw/zinc/88/44/11/1066884411.db2.gz QGTAZHSNQUAZJP-MRXNPFEDSA-N 0 0 452.776 4.685 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C ZINC001492717473 1066884420 /nfs/dbraw/zinc/88/44/20/1066884420.db2.gz RTXUOBAQTMOUFL-AWEZNQCLSA-N 0 0 468.005 4.994 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001546001611 1066885027 /nfs/dbraw/zinc/88/50/27/1066885027.db2.gz QLADPMOVABSGHV-GGAORHGYSA-N 0 0 467.589 4.514 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001447971504 1066885395 /nfs/dbraw/zinc/88/53/95/1066885395.db2.gz LOUVZBAWNJYXOF-SJBKTWHCSA-N 0 0 452.599 4.885 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@H]1C ZINC001492717976 1066886043 /nfs/dbraw/zinc/88/60/43/1066886043.db2.gz YVNQCXGGFFMPFY-GCJKJVERSA-N 0 0 464.658 4.902 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCSC1)Oc1ccccc1F ZINC001546001701 1066886065 /nfs/dbraw/zinc/88/60/65/1066886065.db2.gz RVBNQDJRGVRKEP-ZWKOTPCHSA-N 0 0 461.632 4.572 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CSCCS1 ZINC001492717997 1066886165 /nfs/dbraw/zinc/88/61/65/1066886165.db2.gz ZFVCRJWKOZGXKF-MRXNPFEDSA-N 0 0 481.066 4.573 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001457631230 1066886300 /nfs/dbraw/zinc/88/63/00/1066886300.db2.gz WOJLUMFOFKDALW-UHFFFAOYSA-N 0 0 450.333 4.771 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](COC)C1)Oc1ccccc1F ZINC001546001893 1066886807 /nfs/dbraw/zinc/88/68/07/1066886807.db2.gz WBVLJVOTGWJKJX-FGZHOGPDSA-N 0 0 467.589 4.514 20 0 JJADRN O=C(CCC(=O)c1c(F)cccc1F)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001457632030 1066887003 /nfs/dbraw/zinc/88/70/03/1066887003.db2.gz LMTSBPZLNKIXRF-UHFFFAOYSA-N 0 0 452.280 4.847 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](COC)C1)Oc1ccccc1F ZINC001546001895 1066886992 /nfs/dbraw/zinc/88/69/92/1066886992.db2.gz WBVLJVOTGWJKJX-YADHBBJMSA-N 0 0 467.589 4.514 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC001447976413 1066887010 /nfs/dbraw/zinc/88/70/10/1066887010.db2.gz YTLUALWOOHLAFZ-MRXNPFEDSA-N 0 0 452.473 4.764 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001546001886 1066887014 /nfs/dbraw/zinc/88/70/14/1066887014.db2.gz VYOBTBOTNXWICU-DEOSSOPVSA-N 0 0 490.652 4.762 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492718429 1066887350 /nfs/dbraw/zinc/88/73/50/1066887350.db2.gz FTKITOXDJOBFGN-FPOVZHCZSA-N 0 0 475.563 4.619 20 0 JJADRN COc1cccc(CCC(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c1OC ZINC001447981172 1066887303 /nfs/dbraw/zinc/88/73/03/1066887303.db2.gz JETQFFKRXFCOIO-UHFFFAOYSA-N 0 0 453.579 4.998 20 0 JJADRN COc1cc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)ccc1C ZINC001447979948 1066887421 /nfs/dbraw/zinc/88/74/21/1066887421.db2.gz FWZCDHLVHZKKIE-HSZRJFAPSA-N 0 0 455.501 4.910 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c1 ZINC001447978859 1066887523 /nfs/dbraw/zinc/88/75/23/1066887523.db2.gz AJAIBUSGTMRWRD-UHFFFAOYSA-N 0 0 451.567 4.755 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492718707 1066887945 /nfs/dbraw/zinc/88/79/45/1066887945.db2.gz PGVRONLLHLBPSD-UHFFFAOYSA-N 0 0 491.615 4.615 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001492719053 1066888445 /nfs/dbraw/zinc/88/84/45/1066888445.db2.gz YAAGBCLEYNLOOV-MHECFPHRSA-N 0 0 468.621 4.590 20 0 JJADRN Cc1cc(C)c(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cc1Br ZINC001447994811 1066888455 /nfs/dbraw/zinc/88/84/55/1066888455.db2.gz LRMMIPFJNKNNCR-UHFFFAOYSA-N 0 0 451.777 4.905 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)[C@H]1c1cccc(F)c1 ZINC001447984771 1066888598 /nfs/dbraw/zinc/88/85/98/1066888598.db2.gz ZUCJTZRZQYNPBN-UKILVPOCSA-N 0 0 480.580 4.707 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001457635909 1066888532 /nfs/dbraw/zinc/88/85/32/1066888532.db2.gz IRVVJRXSKKOQOU-UHFFFAOYSA-N 0 0 458.324 4.726 20 0 JJADRN O=Cc1ccc(OCCC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001448004139 1066889172 /nfs/dbraw/zinc/88/91/72/1066889172.db2.gz MYXAJSQTHISONZ-QFIPXVFZSA-N 0 0 453.336 4.526 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCC(C)CC1 ZINC001492720242 1066889372 /nfs/dbraw/zinc/88/93/72/1066889372.db2.gz JJVQGYOQBHPTDU-AJPWXKBRSA-N 0 0 454.594 4.971 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCSC1(C)C ZINC001492720392 1066889478 /nfs/dbraw/zinc/88/94/78/1066889478.db2.gz NUQNBPYEKYPVCB-SFHVURJKSA-N 0 0 472.634 4.515 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCOC(C)(C)C ZINC001492720483 1066889960 /nfs/dbraw/zinc/88/99/60/1066889960.db2.gz PYJNGABCXUUKRR-UHFFFAOYSA-N 0 0 495.455 4.966 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2ccc(Br)cc12 ZINC001457650408 1066890186 /nfs/dbraw/zinc/89/01/86/1066890186.db2.gz ZOGQVDUNQLXQOY-AWEZNQCLSA-N 0 0 452.274 4.958 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1 ZINC001492720644 1066890581 /nfs/dbraw/zinc/89/05/81/1066890581.db2.gz WDKUUPRPWQZBBP-LJQANCHMSA-N 0 0 454.594 4.972 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C1CCCC1 ZINC001492720776 1066890968 /nfs/dbraw/zinc/89/09/68/1066890968.db2.gz AKSGJRVOZYTRBT-UHFFFAOYSA-N 0 0 474.451 4.839 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)c1-c1ccc2c(c1)OCO2 ZINC001457654699 1066890893 /nfs/dbraw/zinc/89/08/93/1066890893.db2.gz CBXOACNXDVIVOU-PBHICJAKSA-N 0 0 458.559 4.636 20 0 JJADRN CC[C@]1(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC001448021152 1066891074 /nfs/dbraw/zinc/89/10/74/1066891074.db2.gz MDRLWKQBCYCCOY-OPAMFIHVSA-N 0 0 455.521 4.580 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1CCC(C(C)C)CC1 ZINC001492720764 1066891022 /nfs/dbraw/zinc/89/10/22/1066891022.db2.gz AAHRJHLBSBYDMA-UHFFFAOYSA-N 0 0 471.447 4.979 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(C)CC1 ZINC001492720969 1066891418 /nfs/dbraw/zinc/89/14/18/1066891418.db2.gz HGLSPQZFMQWLRE-UHFFFAOYSA-N 0 0 463.449 4.794 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2ccc3cn(C(C)C)nc3c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001457658486 1066891635 /nfs/dbraw/zinc/89/16/35/1066891635.db2.gz JRCSBOVQZVWYOE-UHFFFAOYSA-N 0 0 455.440 4.743 20 0 JJADRN CC(C)n1cc2ccc(NC(=O)c3cnn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)cc2n1 ZINC001457658521 1066891703 /nfs/dbraw/zinc/89/17/03/1066891703.db2.gz JSDXJKBKUMJOKR-HXUWFJFHSA-N 0 0 452.559 4.638 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccccc31)CCO2 ZINC001448023619 1066891745 /nfs/dbraw/zinc/89/17/45/1066891745.db2.gz GJGWDJBZOSORLH-FGZHOGPDSA-N 0 0 452.551 4.560 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOC(C)(C)C ZINC001492721202 1066892087 /nfs/dbraw/zinc/89/20/87/1066892087.db2.gz PDNNLNATVYKTMB-MRXNPFEDSA-N 0 0 470.687 4.781 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccnc1I ZINC001457662263 1066892760 /nfs/dbraw/zinc/89/27/60/1066892760.db2.gz UZLFYAKBCCRWCJ-HNNXBMFYSA-N 0 0 458.727 4.865 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001492721469 1066892644 /nfs/dbraw/zinc/89/26/44/1066892644.db2.gz AAFXKFYNNGRDHY-UHFFFAOYSA-N 0 0 457.420 4.548 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@H]1Cc3c(cccc3C)N1C(=O)OC(C)(C)C)CCO2 ZINC001448033248 1066892697 /nfs/dbraw/zinc/89/26/97/1066892697.db2.gz XAAGEPWKMSOPSP-RBBKRZOGSA-N 0 0 452.551 4.700 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001492721380 1066892739 /nfs/dbraw/zinc/89/27/39/1066892739.db2.gz WPVCLFLPOXRJJA-UHFFFAOYSA-N 0 0 488.821 4.724 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492721321 1066892820 /nfs/dbraw/zinc/89/28/20/1066892820.db2.gz USOVJBOEORWEHD-KGLIPLIRSA-N 0 0 475.410 4.870 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001448034629 1066892942 /nfs/dbraw/zinc/89/29/42/1066892942.db2.gz XLSCQXVNCZVTIV-QFIPXVFZSA-N 0 0 451.405 4.679 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H](C1CCCCC1)C2 ZINC001457664239 1066893146 /nfs/dbraw/zinc/89/31/46/1066893146.db2.gz QAADMAWDMVDLJT-IQGLISFBSA-N 0 0 455.620 4.736 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1F ZINC001457665436 1066893167 /nfs/dbraw/zinc/89/31/67/1066893167.db2.gz OFLMJHYOZFXRBD-INIZCTEOSA-N 0 0 450.551 4.989 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001448049193 1066893507 /nfs/dbraw/zinc/89/35/07/1066893507.db2.gz NONQKBPBZUAXLP-GAJHUEQPSA-N 0 0 451.950 4.993 20 0 JJADRN CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001457666767 1066893956 /nfs/dbraw/zinc/89/39/56/1066893956.db2.gz RRVVBRVXSRZYEJ-OAQYLSRUSA-N 0 0 453.970 4.972 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@H]1OCc1ccccc1 ZINC001448053274 1066894024 /nfs/dbraw/zinc/89/40/24/1066894024.db2.gz SFFBGANDOPAARX-RTWAWAEBSA-N 0 0 454.368 4.953 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@H]1OCc1ccccc1 ZINC001448053273 1066894096 /nfs/dbraw/zinc/89/40/96/1066894096.db2.gz SFFBGANDOPAARX-NHCUHLMSSA-N 0 0 454.368 4.953 20 0 JJADRN CCCCC1CCC(c2cc(NC(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)n[nH]2)CC1 ZINC001457670841 1066894340 /nfs/dbraw/zinc/89/43/40/1066894340.db2.gz SDDJFYIEHVTIOI-UHFFFAOYSA-N 0 0 452.603 4.637 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001492722954 1066894372 /nfs/dbraw/zinc/89/43/72/1066894372.db2.gz VRHWBUUFSQYDTL-UHFFFAOYSA-N 0 0 477.078 4.874 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1cccc(Cl)c1 ZINC001457671685 1066894907 /nfs/dbraw/zinc/89/49/07/1066894907.db2.gz PLHPLXSXJNXODK-YKSBVNFPSA-N 0 0 450.966 4.849 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)n(C)n1 ZINC001492723798 1066894937 /nfs/dbraw/zinc/89/49/37/1066894937.db2.gz BYJRIHAAUMLOPV-HNNXBMFYSA-N 0 0 482.938 4.940 20 0 JJADRN O=C(OCc1ccccc1Br)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001457677182 1066895438 /nfs/dbraw/zinc/89/54/38/1066895438.db2.gz VFDIGIOIOIRWEX-UHFFFAOYSA-N 0 0 455.345 4.808 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NC(=O)c3cccc(Br)c3)c1)CO2 ZINC001457676444 1066895461 /nfs/dbraw/zinc/89/54/61/1066895461.db2.gz OEPLGIVSMPZSCJ-FQEVSTJZSA-N 0 0 451.320 4.873 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n(C)n1 ZINC001492725265 1066895795 /nfs/dbraw/zinc/89/57/95/1066895795.db2.gz YSJHFUUFHXQWRX-BETUJISGSA-N 0 0 452.912 4.555 20 0 JJADRN Cc1nc(C)n(-c2ccccc2NC(=O)COc2ccc3ccccc3c2Br)n1 ZINC001457680545 1066895929 /nfs/dbraw/zinc/89/59/29/1066895929.db2.gz BMXBMFWPIFWYLN-UHFFFAOYSA-N 0 0 451.324 4.817 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)c(=O)[nH]c21 ZINC001448071243 1066896330 /nfs/dbraw/zinc/89/63/30/1066896330.db2.gz VQVQBSRNIMJZMA-VMPITWQZSA-N 0 0 456.949 4.739 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(Cc2cccs2)C(C)C)n(C)n1 ZINC001492726954 1066896531 /nfs/dbraw/zinc/89/65/31/1066896531.db2.gz CASCBMRHYITZJC-KDURUIRLSA-N 0 0 499.685 4.616 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 ZINC001457685980 1066897101 /nfs/dbraw/zinc/89/71/01/1066897101.db2.gz JDPUWJVEVIHSHE-UHFFFAOYSA-N 0 0 454.958 4.904 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC[C@H](C(F)(F)F)C3)cn2)n1 ZINC001492728288 1066897700 /nfs/dbraw/zinc/89/77/00/1066897700.db2.gz ZPSDCTATRGVZLP-IBGZPJMESA-N 0 0 475.563 4.891 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC[C@@H](C(F)(F)F)C3)cn2)n1 ZINC001492728289 1066897712 /nfs/dbraw/zinc/89/77/12/1066897712.db2.gz ZPSDCTATRGVZLP-LJQANCHMSA-N 0 0 475.563 4.891 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(Cl)cc3)C2)n1 ZINC001492728677 1066898082 /nfs/dbraw/zinc/89/80/82/1066898082.db2.gz JADHXGWXHMJXMA-UZLBHIALSA-N 0 0 472.037 4.746 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(C(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)n1 ZINC001492728652 1066898185 /nfs/dbraw/zinc/89/81/85/1066898185.db2.gz ITEJOZJDKIWXMD-UHFFFAOYSA-N 0 0 458.614 4.802 20 0 JJADRN COC(=O)CC1(CNC(=O)CCc2nc3cc(Br)ccc3s2)CCCCC1 ZINC001448087118 1066898944 /nfs/dbraw/zinc/89/89/44/1066898944.db2.gz PPOKIGKCXWRPNN-UHFFFAOYSA-N 0 0 453.402 4.621 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c2ccccc2OC)cc1 ZINC001546002699 1066898981 /nfs/dbraw/zinc/89/89/81/1066898981.db2.gz SLMUUGXHOXNJDG-ZJSXRUAMSA-N 0 0 454.567 4.603 20 0 JJADRN CN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448081273 1066898989 /nfs/dbraw/zinc/89/89/89/1066898989.db2.gz YINKUWQFLLJWSF-GOSISDBHSA-N 0 0 450.004 4.768 20 0 JJADRN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 ZINC001457695158 1066898858 /nfs/dbraw/zinc/89/88/58/1066898858.db2.gz VQENCRKZXPRBCJ-UHFFFAOYSA-N 0 0 455.234 4.798 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001457692907 1066898900 /nfs/dbraw/zinc/89/89/00/1066898900.db2.gz ICUDJHZHBXMTRB-OAHLLOKOSA-N 0 0 450.461 4.680 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492729511 1066899233 /nfs/dbraw/zinc/89/92/33/1066899233.db2.gz DRXSYJZRNRVLQB-PXDATVDWSA-N 0 0 486.064 4.836 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C1CCCCC1)C2 ZINC001457701648 1066899883 /nfs/dbraw/zinc/89/98/83/1066899883.db2.gz WTUDMXYAUKEAOO-BXKMTCNYSA-N 0 0 459.583 4.530 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1)c1cccnc1 ZINC001448109012 1066900353 /nfs/dbraw/zinc/90/03/53/1066900353.db2.gz KMBMDKPPIKHSME-MRXNPFEDSA-N 0 0 451.910 4.655 20 0 JJADRN O=C(c1cc(Br)cnc1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001457704790 1066900427 /nfs/dbraw/zinc/90/04/27/1066900427.db2.gz CJXAIAOGRMSZHY-QGZVFWFLSA-N 0 0 451.773 4.935 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)o2)no1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001457704815 1066900549 /nfs/dbraw/zinc/90/05/49/1066900549.db2.gz SWOCYXJNZCQNQU-UHFFFAOYSA-N 0 0 451.183 4.937 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC2)cc1 ZINC001448109483 1066900565 /nfs/dbraw/zinc/90/05/65/1066900565.db2.gz GJOHZTCYBQLJFK-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2nc3c(ccc(F)c3C)s2)C1(C)C ZINC001457705889 1066900865 /nfs/dbraw/zinc/90/08/65/1066900865.db2.gz JIWCYCUJHKQFSD-OYHNWAKOSA-N 0 0 451.564 4.781 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC001457710383 1066901763 /nfs/dbraw/zinc/90/17/63/1066901763.db2.gz DDJVRENNOIMODY-ZWKOTPCHSA-N 0 0 457.665 4.797 20 0 JJADRN C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2ccnc2)cc1 ZINC001457711002 1066902113 /nfs/dbraw/zinc/90/21/13/1066902113.db2.gz OHUJCRFSNPRFEU-VFNWGFHPSA-N 0 0 456.493 4.594 20 0 JJADRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2ccnc2)cc1 ZINC001457711005 1066902151 /nfs/dbraw/zinc/90/21/51/1066902151.db2.gz OHUJCRFSNPRFEU-YCRPNKLZSA-N 0 0 456.493 4.594 20 0 JJADRN CC(=O)Nc1sc(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccccc1 ZINC001448126800 1066902321 /nfs/dbraw/zinc/90/23/21/1066902321.db2.gz UFNWBPFPLNXVTA-MRXNPFEDSA-N 0 0 458.584 4.744 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC001448123819 1066902379 /nfs/dbraw/zinc/90/23/79/1066902379.db2.gz XWMMIKVCUATZMN-UHFFFAOYSA-N 0 0 454.546 4.917 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCSC1)NC(=O)OC(C)(C)C ZINC001546002920 1066902505 /nfs/dbraw/zinc/90/25/05/1066902505.db2.gz AAEIFBVYXGWDOA-MOPGFXCFSA-N 0 0 484.670 4.595 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3Cl)nc2c1 ZINC001448125858 1066902523 /nfs/dbraw/zinc/90/25/23/1066902523.db2.gz SGFGOLYOCKWOSO-CYBMUJFWSA-N 0 0 458.946 4.992 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1C(C)(C)C ZINC001492731625 1066902867 /nfs/dbraw/zinc/90/28/67/1066902867.db2.gz VQECFUKVKBIQPC-QZTJIDSGSA-N 0 0 452.672 4.816 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(COC)CC1)Oc1ccccc1F ZINC001546002953 1066903501 /nfs/dbraw/zinc/90/35/01/1066903501.db2.gz ARCYXIGJFIALGH-HXUWFJFHSA-N 0 0 458.603 4.790 20 0 JJADRN C[C@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c2ccccc21 ZINC001448133137 1066904108 /nfs/dbraw/zinc/90/41/08/1066904108.db2.gz RQHIRFVIEACSGD-OWJWWREXSA-N 0 0 457.958 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2Cc2cc(COC(C)(C)C)on2)n1 ZINC001492732153 1066904228 /nfs/dbraw/zinc/90/42/28/1066904228.db2.gz JWURKELLUKXWBN-NRFANRHFSA-N 0 0 491.640 4.997 20 0 JJADRN COCCN(Cc1ccc(C)o1)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001457720595 1066904380 /nfs/dbraw/zinc/90/43/80/1066904380.db2.gz VXSWNTLULHUHAJ-UHFFFAOYSA-N 0 0 450.366 4.915 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2Cc2cccnc2OCC(F)(F)F)n1 ZINC001492732203 1066904251 /nfs/dbraw/zinc/90/42/51/1066904251.db2.gz LAQFCEIQCSHTRA-IBGZPJMESA-N 0 0 499.541 4.722 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2Cc2csc(C)c2)n1 ZINC001492732192 1066904296 /nfs/dbraw/zinc/90/42/96/1066904296.db2.gz KVLUFZNSTVWKAD-SFHVURJKSA-N 0 0 464.639 4.721 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)c2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001546003082 1066904368 /nfs/dbraw/zinc/90/43/68/1066904368.db2.gz CORNCNYFWFEFDW-IBGZPJMESA-N 0 0 487.670 4.695 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](c3cc(F)cc(Br)c3)C3CC3)c2N1 ZINC001448140074 1066904430 /nfs/dbraw/zinc/90/44/30/1066904430.db2.gz VWSLVAUIHMLXLJ-FWGMWULZSA-N 0 0 475.284 4.973 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492732461 1066905096 /nfs/dbraw/zinc/90/50/96/1066905096.db2.gz PAZSNHPRYKPJLS-JLRUASKGSA-N 0 0 468.621 4.927 20 0 JJADRN COCC1=CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CC1 ZINC001448158305 1066905251 /nfs/dbraw/zinc/90/52/51/1066905251.db2.gz ORCSBELBVSESCT-UHFFFAOYSA-N 0 0 456.608 4.512 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC2(CC(C)C)CC2)n1 ZINC001492732525 1066905279 /nfs/dbraw/zinc/90/52/79/1066905279.db2.gz QRTPGAOYZHLNSH-NRFANRHFSA-N 0 0 498.697 4.567 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@](C)(O)C2CCCCC2)n1 ZINC001492732419 1066905291 /nfs/dbraw/zinc/90/52/91/1066905291.db2.gz OMEYYDBWCPSHTL-NTKDMRAZSA-N 0 0 456.660 4.730 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@](C)(O)C2CCCCC2)n1 ZINC001492732417 1066905325 /nfs/dbraw/zinc/90/53/25/1066905325.db2.gz OMEYYDBWCPSHTL-CYFREDJKSA-N 0 0 456.660 4.730 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2CCc2ccc(Br)s2)n1 ZINC001492732550 1066905591 /nfs/dbraw/zinc/90/55/91/1066905591.db2.gz RDPRYAKDFGRDKB-MRXNPFEDSA-N 0 0 489.443 4.997 20 0 JJADRN Cc1cc(CNC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)ccc1-c1ccccc1 ZINC001448166902 1066905674 /nfs/dbraw/zinc/90/56/74/1066905674.db2.gz UIBGSRHJROMOOG-UHFFFAOYSA-N 0 0 457.555 4.935 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(F)(F)C3)c2)cc1 ZINC001457733102 1066906100 /nfs/dbraw/zinc/90/61/00/1066906100.db2.gz SZTTYLQHOGUFRD-UHFFFAOYSA-N 0 0 456.942 4.965 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@@H]2CCCCS2)n1 ZINC001492733030 1066906535 /nfs/dbraw/zinc/90/65/35/1066906535.db2.gz ZRDREYVZJZIGPA-MJGOQNOKSA-N 0 0 460.598 4.901 20 0 JJADRN CCOC1CC2(C[C@H]2C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC001448173258 1066906656 /nfs/dbraw/zinc/90/66/56/1066906656.db2.gz MKFZPLJNGVLBGU-DHADLLTHSA-N 0 0 451.407 4.829 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)cc1 ZINC001457734549 1066906804 /nfs/dbraw/zinc/90/68/04/1066906804.db2.gz BPXKAIZGUOJFEI-XMMPIXPASA-N 0 0 454.636 4.750 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492733407 1066906989 /nfs/dbraw/zinc/90/69/89/1066906989.db2.gz JNQQEDPCIOISOE-PGRDOPGGSA-N 0 0 465.646 4.775 20 0 JJADRN Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457735358 1066907159 /nfs/dbraw/zinc/90/71/59/1066907159.db2.gz QELGETQZFKLVQP-UHFFFAOYSA-N 0 0 457.889 4.639 20 0 JJADRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457737353 1066907283 /nfs/dbraw/zinc/90/72/83/1066907283.db2.gz SGOUDPQFYNYMCJ-UHFFFAOYSA-N 0 0 453.926 4.808 20 0 JJADRN Cc1cccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1NC(=O)c1ccccc1F ZINC001457737326 1066907409 /nfs/dbraw/zinc/90/74/09/1066907409.db2.gz RGLOEDKNJYXXOD-QGZVFWFLSA-N 0 0 458.493 4.970 20 0 JJADRN Cc1c(C(=O)N[C@H]2CSC2(C)C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001448184090 1066907498 /nfs/dbraw/zinc/90/74/98/1066907498.db2.gz FJGRETIYQOJTLQ-HNNXBMFYSA-N 0 0 459.662 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2Cc2cccc(Br)n2)n1 ZINC001492734092 1066907937 /nfs/dbraw/zinc/90/79/37/1066907937.db2.gz ATSGOKDMRHLAFW-KRWDZBQOSA-N 0 0 494.441 4.585 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001492734030 1066907945 /nfs/dbraw/zinc/90/79/45/1066907945.db2.gz ZGSBNXGMIDXDKM-UHFFFAOYSA-N 0 0 485.677 4.554 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)OC ZINC001546003336 1066908071 /nfs/dbraw/zinc/90/80/71/1066908071.db2.gz HUWDUEDQJBYHCR-FYYLOGMGSA-N 0 0 496.681 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2cnn(CC(C)C)c2C)n1 ZINC001492734945 1066908225 /nfs/dbraw/zinc/90/82/25/1066908225.db2.gz FCVONVUIVOIYGS-UHFFFAOYSA-N 0 0 499.038 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H](C)Sc2ccccc2)n1 ZINC001492735008 1066908270 /nfs/dbraw/zinc/90/82/70/1066908270.db2.gz HGCSYDNYPDAGEM-GOSISDBHSA-N 0 0 465.627 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCOc2ccccc2Cl)n1 ZINC001492735071 1066908553 /nfs/dbraw/zinc/90/85/53/1066908553.db2.gz JBYZLBHIQIZRAC-INIZCTEOSA-N 0 0 486.045 4.569 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)c2cccc(Br)c2)c1 ZINC001448195637 1066909025 /nfs/dbraw/zinc/90/90/25/1066909025.db2.gz LEKBIIRPYCIMGL-GOSISDBHSA-N 0 0 453.764 4.551 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@H](C)c2c(C)noc2C)n1 ZINC001492735509 1066909035 /nfs/dbraw/zinc/90/90/35/1066909035.db2.gz YRUBDJXQNSITQM-ZDUSSCGKSA-N 0 0 487.530 4.602 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001457742907 1066909115 /nfs/dbraw/zinc/90/91/15/1066909115.db2.gz CTGZPZWKNGBYDJ-NTKDMRAZSA-N 0 0 456.533 4.726 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001492735612 1066909369 /nfs/dbraw/zinc/90/93/69/1066909369.db2.gz CHOXXMLBOLRDAT-YOEHRIQHSA-N 0 0 461.408 4.568 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC001457745278 1066909417 /nfs/dbraw/zinc/90/94/17/1066909417.db2.gz WMLLSWWNAXFYHR-HSZRJFAPSA-N 0 0 458.558 4.826 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001546003637 1066909696 /nfs/dbraw/zinc/90/96/96/1066909696.db2.gz MUSYSALTDPGPNL-QGZVFWFLSA-N 0 0 488.683 4.561 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC=C(Br)C1)NC(=O)OC(C)(C)C ZINC001546003605 1066909719 /nfs/dbraw/zinc/90/97/19/1066909719.db2.gz MFQIZLXBHIUEEG-QGZVFWFLSA-N 0 0 496.475 4.723 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492735937 1066909766 /nfs/dbraw/zinc/90/97/66/1066909766.db2.gz OPMMESOJTFWQFU-OXQOHEQNSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@]2(C)CCCO2)n1 ZINC001492735985 1066909817 /nfs/dbraw/zinc/90/98/17/1066909817.db2.gz PWTVRAHOFCGFRA-QFIPXVFZSA-N 0 0 480.510 4.503 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001457746834 1066909855 /nfs/dbraw/zinc/90/98/55/1066909855.db2.gz KXQHOABKVMAEQM-JLTOFOAXSA-N 0 0 450.760 4.912 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(Br)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001448203857 1066909877 /nfs/dbraw/zinc/90/98/77/1066909877.db2.gz YTZHZSYMLJDEMY-LJQANCHMSA-N 0 0 450.254 4.997 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)Oc1cccc(F)c1 ZINC001546003668 1066910184 /nfs/dbraw/zinc/91/01/84/1066910184.db2.gz NTNHWNQSQIQEMY-SIKLNZKXSA-N 0 0 499.656 4.620 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccccc1F ZINC001546003682 1066910228 /nfs/dbraw/zinc/91/02/28/1066910228.db2.gz NYTSBSHBHUJHCW-VQTJNVASSA-N 0 0 458.603 4.790 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)Oc1cccc(F)c1 ZINC001546003666 1066910234 /nfs/dbraw/zinc/91/02/34/1066910234.db2.gz NTNHWNQSQIQEMY-DENIHFKCSA-N 0 0 499.656 4.620 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001546003720 1066910279 /nfs/dbraw/zinc/91/02/79/1066910279.db2.gz OYKSFGHPVYFOFE-CCLHPLFOSA-N 0 0 496.656 4.659 20 0 JJADRN CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC001448220877 1066910341 /nfs/dbraw/zinc/91/03/41/1066910341.db2.gz JKHMLDFJNLQWQK-HSZRJFAPSA-N 0 0 452.576 4.592 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[C@H]2CCO[C@H](C)C2)n1 ZINC001492736117 1066910384 /nfs/dbraw/zinc/91/03/84/1066910384.db2.gz VBHGKSDKKKHQAB-UXHICEINSA-N 0 0 488.583 4.583 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC001546093598 1066910681 /nfs/dbraw/zinc/91/06/81/1066910681.db2.gz QNFQQEMDBZWSIM-RUZDIDTESA-N 0 0 459.635 4.508 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@H]2CCO[C@@H](C)C2)n1 ZINC001492736187 1066910760 /nfs/dbraw/zinc/91/07/60/1066910760.db2.gz XNNQEEYDMJORMV-HKUYNNGSSA-N 0 0 494.537 4.749 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC001448226482 1066910795 /nfs/dbraw/zinc/91/07/95/1066910795.db2.gz NQENQAAUTJKQPZ-LLVKDONJSA-N 0 0 451.310 4.709 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(F)c(F)cc1F ZINC001448226882 1066910881 /nfs/dbraw/zinc/91/08/81/1066910881.db2.gz FGUQEWGVDIDIJU-IBGZPJMESA-N 0 0 450.457 4.547 20 0 JJADRN O=C(CNC(=O)c1ccc(O)cc1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC001457751034 1066911117 /nfs/dbraw/zinc/91/11/17/1066911117.db2.gz PJBUJWTWOIFLSN-UHFFFAOYSA-N 0 0 453.907 4.816 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)s1 ZINC001457751911 1066911150 /nfs/dbraw/zinc/91/11/50/1066911150.db2.gz GIEHPLBOZMHIEQ-UHFFFAOYSA-N 0 0 458.927 4.547 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2Cc2cccs2)n1 ZINC001492736374 1066911192 /nfs/dbraw/zinc/91/11/92/1066911192.db2.gz DSDKNWHMFWPAGK-UHFFFAOYSA-N 0 0 460.529 4.905 20 0 JJADRN CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)cc(Cl)n1 ZINC001448227035 1066911352 /nfs/dbraw/zinc/91/13/52/1066911352.db2.gz GEFRCYBMYNXLCN-IBGZPJMESA-N 0 0 459.974 4.740 20 0 JJADRN CO[C@@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C1 ZINC001448229551 1066911679 /nfs/dbraw/zinc/91/16/79/1066911679.db2.gz MMBYOXRAMIJTJB-VQTJNVASSA-N 0 0 450.579 4.721 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001448230190 1066911785 /nfs/dbraw/zinc/91/17/85/1066911785.db2.gz ONSDZSPFYGRGPL-VSKRKVRLSA-N 0 0 454.542 4.758 20 0 JJADRN Cc1nc(COc2cccc(C(=O)NCc3ccc(C)cc3OC[C@H]3CCCO3)c2)cs1 ZINC001457753013 1066911902 /nfs/dbraw/zinc/91/19/02/1066911902.db2.gz DRUQSWKPHCQZNA-HSZRJFAPSA-N 0 0 452.576 4.827 20 0 JJADRN Cc1nc(COc2cccc(C(=O)NCc3ccc(C)cc3OC[C@@H]3CCCO3)c2)cs1 ZINC001457753021 1066911909 /nfs/dbraw/zinc/91/19/09/1066911909.db2.gz DRUQSWKPHCQZNA-QHCPKHFHSA-N 0 0 452.576 4.827 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492736866 1066911963 /nfs/dbraw/zinc/91/19/63/1066911963.db2.gz WQQSFRHCSKWXFB-KRWDZBQOSA-N 0 0 452.603 4.856 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccn3)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001492736874 1066912002 /nfs/dbraw/zinc/91/20/02/1066912002.db2.gz WWWDBIVMIHLGKC-NRFANRHFSA-N 0 0 498.404 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492736952 1066912022 /nfs/dbraw/zinc/91/20/22/1066912022.db2.gz ZNHQJEUCJMQDOB-HSZRJFAPSA-N 0 0 461.589 4.750 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 ZINC001448231064 1066912221 /nfs/dbraw/zinc/91/22/21/1066912221.db2.gz XPYBEHUZJVBPST-UHFFFAOYSA-N 0 0 452.313 4.772 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccn3)n2C[C@@H](F)c2ccc(Br)cc2)n1 ZINC001492736875 1066912101 /nfs/dbraw/zinc/91/21/01/1066912101.db2.gz WWWDBIVMIHLGKC-OAQYLSRUSA-N 0 0 498.404 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3)n2CCc2ccc(OC(F)(F)F)cc2)n1 ZINC001492737064 1066912342 /nfs/dbraw/zinc/91/23/42/1066912342.db2.gz DJEOOWGQEUEANM-UHFFFAOYSA-N 0 0 474.487 4.510 20 0 JJADRN O=C(Nc1cc(I)ccc1Cl)c1ccn(-c2ccc(F)cc2F)n1 ZINC001457753966 1066912346 /nfs/dbraw/zinc/91/23/46/1066912346.db2.gz VFOJQICKOBHGBQ-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN COc1ccc2nc(C)c(C(=O)Nc3cnc(Br)c(Br)c3)cc2c1 ZINC001457753402 1066912385 /nfs/dbraw/zinc/91/23/85/1066912385.db2.gz ROFCFJAXSLNENL-UHFFFAOYSA-N 0 0 451.118 4.724 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C/C=C/c2ccccc2)n1 ZINC001492737155 1066912431 /nfs/dbraw/zinc/91/24/31/1066912431.db2.gz HIWLWLUIBFPTMD-JXMROGBWSA-N 0 0 487.555 4.965 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)n1 ZINC001492737700 1066912917 /nfs/dbraw/zinc/91/29/17/1066912917.db2.gz BLHPANNWHMQCDM-VWLOTQADSA-N 0 0 471.049 4.717 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001457758984 1066913080 /nfs/dbraw/zinc/91/30/80/1066913080.db2.gz CQDUWDDXOIYMSU-JWQCQUIFSA-N 0 0 458.558 4.701 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)C3(c4ccc(OCC(C)C)cc4)CCC3)C2)cc1F ZINC001448236706 1066913159 /nfs/dbraw/zinc/91/31/59/1066913159.db2.gz JNEOPJZNZDVBEM-NRFANRHFSA-N 0 0 454.542 4.600 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1nc(Cl)ccc1O ZINC001457757858 1066913217 /nfs/dbraw/zinc/91/32/17/1066913217.db2.gz BJXVWMBREAEGOO-UHFFFAOYSA-N 0 0 455.902 4.558 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC001457757712 1066913239 /nfs/dbraw/zinc/91/32/39/1066913239.db2.gz FHSSPBXLPMIUJT-LBPRGKRZSA-N 0 0 450.944 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001492737966 1066913270 /nfs/dbraw/zinc/91/32/70/1066913270.db2.gz JGLTXXUUVDOZHL-UHFFFAOYSA-N 0 0 485.677 4.556 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)C(C)(C)c3csc(-c4cccs4)n3)C2)cc1F ZINC001448235342 1066913249 /nfs/dbraw/zinc/91/32/49/1066913249.db2.gz GLTQRHVKNFVINW-CQSZACIVSA-N 0 0 459.568 4.606 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492738110 1066913277 /nfs/dbraw/zinc/91/32/77/1066913277.db2.gz OJHYEFCKICLAKQ-UHFFFAOYSA-N 0 0 477.657 4.799 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)c2cc(Br)ccc2n1 ZINC001448239938 1066913879 /nfs/dbraw/zinc/91/38/79/1066913879.db2.gz AYDYIAULDLQQMV-GOSISDBHSA-N 0 0 452.352 4.846 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)Cc3sc(SC4CCCC4)nc3C)C2)cc1C ZINC001448237847 1066913973 /nfs/dbraw/zinc/91/39/73/1066913973.db2.gz LFYFIULQCNRRJK-KRWDZBQOSA-N 0 0 459.637 4.655 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)Oc2cccc(CO)c2)c(Br)c1 ZINC001448237784 1066913999 /nfs/dbraw/zinc/91/39/99/1066913999.db2.gz BQUVVEFNFOEPSK-QGZVFWFLSA-N 0 0 458.352 4.839 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(OC(F)F)c(Br)c1 ZINC001448238094 1066914030 /nfs/dbraw/zinc/91/40/30/1066914030.db2.gz YVVNOOSANACJSG-SJLPKXTDSA-N 0 0 456.283 4.985 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@H](C)C1 ZINC001448237971 1066914176 /nfs/dbraw/zinc/91/41/76/1066914176.db2.gz RXFNJQQYGRKLPR-GOSISDBHSA-N 0 0 452.986 4.579 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)C2)cc1C ZINC001448241924 1066914473 /nfs/dbraw/zinc/91/44/73/1066914473.db2.gz QEJNBXNNEHFELP-LJQANCHMSA-N 0 0 453.539 4.582 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001457767702 1066914452 /nfs/dbraw/zinc/91/44/52/1066914452.db2.gz UPDCELSKHDPNMH-NRFANRHFSA-N 0 0 458.986 4.769 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(Cl)c3)n2C[C@@H]2CC=CCC2)n1 ZINC001492739947 1066914532 /nfs/dbraw/zinc/91/45/32/1066914532.db2.gz BZQPPFCCMUBVQV-HXUWFJFHSA-N 0 0 455.006 4.665 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)cc(C)c1Cl ZINC001448240463 1066914614 /nfs/dbraw/zinc/91/46/14/1066914614.db2.gz CWFBPHAQZAVQIH-LJQANCHMSA-N 0 0 457.958 4.987 20 0 JJADRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 ZINC001457768323 1066914876 /nfs/dbraw/zinc/91/48/76/1066914876.db2.gz HJFZZAPIMYFHRW-CYBMUJFWSA-N 0 0 452.511 4.774 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492740155 1066914989 /nfs/dbraw/zinc/91/49/89/1066914989.db2.gz JWTYMSXTYMEFHF-FXAWDEMLSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 ZINC001448247495 1066914921 /nfs/dbraw/zinc/91/49/21/1066914921.db2.gz LHCDSVRFWZMCKQ-UHFFFAOYSA-N 0 0 452.576 4.761 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(C)nc3Sc3ccccc3)C2)cc1F ZINC001448245802 1066914993 /nfs/dbraw/zinc/91/49/93/1066914993.db2.gz XHWWEXXHAXTHJL-QGZVFWFLSA-N 0 0 451.523 4.612 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)OC(C)C ZINC001457769519 1066915262 /nfs/dbraw/zinc/91/52/62/1066915262.db2.gz LXSHVPQTDXAHEP-RUZDIDTESA-N 0 0 459.546 4.818 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCC2CCOCC2)n1 ZINC001492740358 1066915435 /nfs/dbraw/zinc/91/54/35/1066915435.db2.gz RSKLMKLDAMAWBX-UHFFFAOYSA-N 0 0 454.594 4.511 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC001457771566 1066915538 /nfs/dbraw/zinc/91/55/38/1066915538.db2.gz BSJFPLBHHQSVNQ-QFIPXVFZSA-N 0 0 456.455 4.561 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492740519 1066915850 /nfs/dbraw/zinc/91/58/50/1066915850.db2.gz YJLJADWBYUKBOS-YLJYHZDGSA-N 0 0 457.022 4.745 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1c(F)cccc1F ZINC001457773008 1066916074 /nfs/dbraw/zinc/91/60/74/1066916074.db2.gz JRRKPWLRAYEKMC-IFXJQAMLSA-N 0 0 457.304 4.519 20 0 JJADRN O=C(NOC[C@H]1CCOC1)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc21 ZINC001457772954 1066916140 /nfs/dbraw/zinc/91/61/40/1066916140.db2.gz PGHAWXNYHXOFJX-WSNITJDQSA-N 0 0 459.365 4.927 20 0 JJADRN Cc1c2cc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)[nH]c2ccc1Br ZINC001448290974 1066916012 /nfs/dbraw/zinc/91/60/12/1066916012.db2.gz CNPAGGTVPLSSRB-OAQYLSRUSA-N 0 0 450.377 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)C(C)(C)C ZINC001448288351 1066916133 /nfs/dbraw/zinc/91/61/33/1066916133.db2.gz XSQZXOJDHHUNJL-INIZCTEOSA-N 0 0 457.974 4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)C(C)(C)C ZINC001448288360 1066916166 /nfs/dbraw/zinc/91/61/66/1066916166.db2.gz XSQZXOJDHHUNJL-MRXNPFEDSA-N 0 0 457.974 4.584 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2Cc2cccc(N(C)C)c2)n1 ZINC001492740795 1066916148 /nfs/dbraw/zinc/91/61/48/1066916148.db2.gz IHUWENVSWIXVBP-UHFFFAOYSA-N 0 0 463.655 4.731 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CC[C@](C)(O)c2ccccc2)n1 ZINC001492740812 1066916202 /nfs/dbraw/zinc/91/62/02/1066916202.db2.gz JBFSMKQXAASFOK-SANMLTNESA-N 0 0 478.666 4.914 20 0 JJADRN CCc1nc(C)c(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)s1 ZINC001457774591 1066916559 /nfs/dbraw/zinc/91/65/59/1066916559.db2.gz QOSBYXOZZSUTMB-UHFFFAOYSA-N 0 0 453.948 4.860 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@](C)(O)c2ccsc2)n1 ZINC001492741105 1066916597 /nfs/dbraw/zinc/91/65/97/1066916597.db2.gz SHQDCNVDLXZIBK-VWLOTQADSA-N 0 0 482.629 4.663 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCc2ccc(F)cc2)n1 ZINC001492741140 1066916712 /nfs/dbraw/zinc/91/67/12/1066916712.db2.gz TXQULASKOJAKNS-UHFFFAOYSA-N 0 0 452.603 4.998 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457774527 1066916622 /nfs/dbraw/zinc/91/66/22/1066916622.db2.gz OXAVAFYOTZCEMU-HNNXBMFYSA-N 0 0 453.347 4.923 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)n1 ZINC001492741220 1066916721 /nfs/dbraw/zinc/91/67/21/1066916721.db2.gz VXDXWMFMUCLDKU-AUSIDOKSSA-N 0 0 499.704 4.800 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001457775585 1066916911 /nfs/dbraw/zinc/91/69/11/1066916911.db2.gz UGKOZGILWFDOCC-OXQOHEQNSA-N 0 0 450.362 4.962 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1cnc(Br)c(OC)c1)[C@@H](c1ccccc1)C2 ZINC001457775679 1066916994 /nfs/dbraw/zinc/91/69/94/1066916994.db2.gz UWWBAWBEMGEVGT-HXUWFJFHSA-N 0 0 453.336 4.801 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492741649 1066917055 /nfs/dbraw/zinc/91/70/55/1066917055.db2.gz DTZGNYBGSPCMFQ-IAGOWNOFSA-N 0 0 455.676 4.619 20 0 JJADRN C[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308551 1066917192 /nfs/dbraw/zinc/91/71/92/1066917192.db2.gz QJEUZRFHWYVRIJ-HOCLYGCPSA-N 0 0 455.407 4.889 20 0 JJADRN CCC1(CC)[C@H](N(C)C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C[C@@H]1OC ZINC001546004421 1066917244 /nfs/dbraw/zinc/91/72/44/1066917244.db2.gz CMZUULCZINPXGE-CVEARBPZSA-N 0 0 455.780 4.610 20 0 JJADRN CN(Cc1nc[nH]n1)C(=O)c1cc(C=Cc2cccs2)nc2ccc(Br)cc21 ZINC001457776726 1066917384 /nfs/dbraw/zinc/91/73/84/1066917384.db2.gz ZWBYVESZUIWMHT-WAYWQWQTSA-N 0 0 454.353 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H](C)COCc2ccccc2)n1 ZINC001492741898 1066917457 /nfs/dbraw/zinc/91/74/57/1066917457.db2.gz IQNZRKZVFLDZFF-LEWJYISDSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H](C)COCc2ccccc2)n1 ZINC001492741901 1066917491 /nfs/dbraw/zinc/91/74/91/1066917491.db2.gz IQNZRKZVFLDZFF-SFTDATJTSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2Cc2ccc(C(C)(F)F)cc2)n1 ZINC001492741611 1066917603 /nfs/dbraw/zinc/91/76/03/1066917603.db2.gz DCIXICOTMXOJFM-ROUUACIJSA-N 0 0 460.598 4.630 20 0 JJADRN O=C(c1ccccc1N1CCCC1=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001457776014 1066917544 /nfs/dbraw/zinc/91/75/44/1066917544.db2.gz WPODSPUTXPKVNO-UHFFFAOYSA-N 0 0 450.432 4.813 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(N2C(=O)CCNC2=O)c1C ZINC001448334844 1066917625 /nfs/dbraw/zinc/91/76/25/1066917625.db2.gz SPXCOZXLZFVUMS-UHFFFAOYSA-N 0 0 456.296 4.511 20 0 JJADRN CSC1(CNC(=O)c2sc3[nH]c(CSc4cc(C)ccc4C)nc(=O)c3c2C)CC1 ZINC001457778381 1066917764 /nfs/dbraw/zinc/91/77/64/1066917764.db2.gz NZASJOCZZHJMSR-UHFFFAOYSA-N 0 0 459.662 4.828 20 0 JJADRN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(I)cc1Cl ZINC001457778898 1066917886 /nfs/dbraw/zinc/91/78/86/1066917886.db2.gz RKJFRSJULURCPM-UHFFFAOYSA-N 0 0 455.708 4.671 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001457778134 1066917896 /nfs/dbraw/zinc/91/78/96/1066917896.db2.gz GUPQAURQGHOSIE-KBXCAEBGSA-N 0 0 454.514 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)NCc3ccsc3Br)cc21 ZINC001448349162 1066917961 /nfs/dbraw/zinc/91/79/61/1066917961.db2.gz DUAPIZUVGQCPOB-UHFFFAOYSA-N 0 0 451.386 4.667 20 0 JJADRN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)C1 ZINC001448345924 1066918053 /nfs/dbraw/zinc/91/80/53/1066918053.db2.gz CYUWEDMVIAEUQI-ZTNFWEORSA-N 0 0 458.990 4.550 20 0 JJADRN CCc1nc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)nn1-c1c(Cl)cccc1Cl ZINC001457780951 1066918220 /nfs/dbraw/zinc/91/82/20/1066918220.db2.gz YPFOHJVFWBVYRQ-UHFFFAOYSA-N 0 0 459.362 4.863 20 0 JJADRN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)C1 ZINC001448345901 1066918233 /nfs/dbraw/zinc/91/82/33/1066918233.db2.gz CYUWEDMVIAEUQI-MOXGXCLJSA-N 0 0 458.990 4.550 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492742920 1066918382 /nfs/dbraw/zinc/91/83/82/1066918382.db2.gz JVBJXOJNJKLGRR-RDABAPPSSA-N 0 0 483.705 4.514 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492743036 1066918565 /nfs/dbraw/zinc/91/85/65/1066918565.db2.gz LCMYWFNDLVSQNL-OAQYLSRUSA-N 0 0 473.547 4.673 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3cccc(NCc4cncs4)c3)C2)C1 ZINC001448352905 1066918748 /nfs/dbraw/zinc/91/87/48/1066918748.db2.gz IBQGOAPCXAPXBI-DEOSSOPVSA-N 0 0 456.612 4.618 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)C2)cc1 ZINC001448350402 1066918775 /nfs/dbraw/zinc/91/87/75/1066918775.db2.gz FHRDCZYRQCNVIQ-KRWDZBQOSA-N 0 0 455.530 4.984 20 0 JJADRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001457784129 1066919001 /nfs/dbraw/zinc/91/90/01/1066919001.db2.gz XVWSFARMAOPPJG-QHCPKHFHSA-N 0 0 455.518 4.916 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](CC(C)C)n2ccnc2)cc1 ZINC001448354224 1066919027 /nfs/dbraw/zinc/91/90/27/1066919027.db2.gz MKKAQNYDSHMZKW-GOTSBHOMSA-N 0 0 454.615 4.853 20 0 JJADRN CN(C)C(=O)Nc1ccc(CNC(=O)CCCSc2ccc(Br)cc2)cc1 ZINC001448354722 1066919106 /nfs/dbraw/zinc/91/91/06/1066919106.db2.gz YJWIQURBMIILJF-UHFFFAOYSA-N 0 0 450.402 4.731 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1sc(C)cc1OC(F)F ZINC001457786081 1066919220 /nfs/dbraw/zinc/91/92/20/1066919220.db2.gz YGTMTAYITFTSQT-ZDUSSCGKSA-N 0 0 452.306 4.869 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001457786327 1066919475 /nfs/dbraw/zinc/91/94/75/1066919475.db2.gz ILZUAQORIUAZPV-VBKZILBWSA-N 0 0 456.395 4.537 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001492744037 1066919748 /nfs/dbraw/zinc/91/97/48/1066919748.db2.gz FPMQIHIPSKESGI-LJQANCHMSA-N 0 0 450.631 4.848 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCCc2ccccc2)n1 ZINC001492744240 1066919799 /nfs/dbraw/zinc/91/97/99/1066919799.db2.gz JUWOCXJROFBEBI-UHFFFAOYSA-N 0 0 460.548 4.941 20 0 JJADRN CCCNc1ccc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 ZINC001457787139 1066919686 /nfs/dbraw/zinc/91/96/86/1066919686.db2.gz HZELCXRVMFNEQW-UHFFFAOYSA-N 0 0 453.384 4.875 20 0 JJADRN CCCNc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1 ZINC001457787315 1066919837 /nfs/dbraw/zinc/91/98/37/1066919837.db2.gz KKSMGHHORUSOCW-UHFFFAOYSA-N 0 0 451.592 4.856 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@](C)(O)c2ccccc2Cl)n1 ZINC001492744540 1066920062 /nfs/dbraw/zinc/92/00/62/1066920062.db2.gz RLESWWQXTNYFQO-VWLOTQADSA-N 0 0 471.049 4.573 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2C[C@@](C)(O)c2ccccc2Cl)n1 ZINC001492744539 1066920105 /nfs/dbraw/zinc/92/01/05/1066920105.db2.gz RLESWWQXTNYFQO-RUZDIDTESA-N 0 0 471.049 4.573 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC001457787927 1066920142 /nfs/dbraw/zinc/92/01/42/1066920142.db2.gz MHTGSNKLKDTVRS-DVECYGJZSA-N 0 0 456.633 4.510 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCOCCC(C)C)n1 ZINC001492744694 1066920489 /nfs/dbraw/zinc/92/04/89/1066920489.db2.gz WCQMDIIJJNEMSM-UHFFFAOYSA-N 0 0 496.500 4.524 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC001448371038 1066920704 /nfs/dbraw/zinc/92/07/04/1066920704.db2.gz HWRMSQQIOVHYPN-RBUKOAKNSA-N 0 0 451.304 4.534 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2cc(Br)ccc2F)n1 ZINC001492745257 1066921025 /nfs/dbraw/zinc/92/10/25/1066921025.db2.gz KANHVLFLJZYBHA-HZPDHXFCSA-N 0 0 489.437 4.766 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001492745728 1066921229 /nfs/dbraw/zinc/92/12/29/1066921229.db2.gz WDZUKXMBOUIMCX-HSZRJFAPSA-N 0 0 450.631 4.848 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCCN(C)c2ccccc2)n1 ZINC001492745412 1066921420 /nfs/dbraw/zinc/92/14/20/1066921420.db2.gz NQWBIBVJXKDQKB-UHFFFAOYSA-N 0 0 489.590 4.835 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)C1 ZINC001448383394 1066921537 /nfs/dbraw/zinc/92/15/37/1066921537.db2.gz CCZDBMHXIOJETN-NTKDMRAZSA-N 0 0 451.007 4.683 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCSC2(C)C)n1 ZINC001492746049 1066921701 /nfs/dbraw/zinc/92/17/01/1066921701.db2.gz GLBHGCQBDUMJGE-OAHLLOKOSA-N 0 0 455.459 4.571 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(Br)c(CC)s2)c1 ZINC001448389400 1066921996 /nfs/dbraw/zinc/92/19/96/1066921996.db2.gz AKRGWXTVAKVJDZ-UHFFFAOYSA-N 0 0 459.431 4.712 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC001448389157 1066922097 /nfs/dbraw/zinc/92/20/97/1066922097.db2.gz NABHMJBYJVIAMX-HDJSIYSDSA-N 0 0 459.420 4.515 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CC[C@@](F)(c3ccccc3C)C2)[C@@H]1c1ccc(OC)cc1 ZINC001448387855 1066922152 /nfs/dbraw/zinc/92/21/52/1066922152.db2.gz KKVXQTASMNEGKO-LNBJVWSJSA-N 0 0 452.570 4.791 20 0 JJADRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001457791863 1066922290 /nfs/dbraw/zinc/92/22/90/1066922290.db2.gz COMPIIKNXNGPKD-UHFFFAOYSA-N 0 0 451.954 4.971 20 0 JJADRN Cc1cc(C)cc(CCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)c1 ZINC001457797325 1066922605 /nfs/dbraw/zinc/92/26/05/1066922605.db2.gz RJLHGMIGBLXGPX-UHFFFAOYSA-N 0 0 454.636 4.924 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001546005487 1066922791 /nfs/dbraw/zinc/92/27/91/1066922791.db2.gz CSXHYWLCLJODEZ-GOSISDBHSA-N 0 0 463.445 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC001448397880 1066922866 /nfs/dbraw/zinc/92/28/66/1066922866.db2.gz TWEWOHRFFOKWTJ-IBGZPJMESA-N 0 0 451.405 4.945 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Cc2csc(NC3(C)CCCC3)n2)C1 ZINC001448404092 1066923234 /nfs/dbraw/zinc/92/32/34/1066923234.db2.gz OWYWMFRYZWIECR-KRWDZBQOSA-N 0 0 450.649 4.584 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@H](C)C(=O)Nc1ncccc1O ZINC001457800509 1066923502 /nfs/dbraw/zinc/92/35/02/1066923502.db2.gz CLBWYZXWFAQGHE-HOTGVXAUSA-N 0 0 458.493 4.535 20 0 JJADRN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001457801413 1066923521 /nfs/dbraw/zinc/92/35/21/1066923521.db2.gz GJAMQIHUJUNHAM-SFHVURJKSA-N 0 0 453.461 4.767 20 0 JJADRN C[C@H](O)[C@@](C)(CNC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)Cc1ccccc1 ZINC001457801698 1066923531 /nfs/dbraw/zinc/92/35/31/1066923531.db2.gz IIMADTLURQDDCG-HMILPKGGSA-N 0 0 456.542 4.680 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546005564 1066923642 /nfs/dbraw/zinc/92/36/42/1066923642.db2.gz FBVDIMRNTXANFR-FGZHOGPDSA-N 0 0 487.714 4.944 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1)OC ZINC001546005568 1066923669 /nfs/dbraw/zinc/92/36/69/1066923669.db2.gz FGIKFOVPQFPTPL-NJDAHSKKSA-N 0 0 463.667 4.565 20 0 JJADRN O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001448404018 1066923734 /nfs/dbraw/zinc/92/37/34/1066923734.db2.gz BMWLFGZAGFUEHY-OAQYLSRUSA-N 0 0 450.505 4.698 20 0 JJADRN O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001448404013 1066923757 /nfs/dbraw/zinc/92/37/57/1066923757.db2.gz BMWLFGZAGFUEHY-NRFANRHFSA-N 0 0 450.505 4.698 20 0 JJADRN Cc1ccc2c(CC(=O)N[C@@H](CO)c3ccc(Br)cc3C(F)(F)F)c[nH]c2c1 ZINC001448403793 1066923787 /nfs/dbraw/zinc/92/37/87/1066923787.db2.gz ZTCYDENFIFQBHO-SFHVURJKSA-N 0 0 455.274 4.650 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCc2ccc(Br)cc2)n1 ZINC001492749165 1066923804 /nfs/dbraw/zinc/92/38/04/1066923804.db2.gz VOHMQVJDRYOMLG-SFHVURJKSA-N 0 0 493.400 4.626 20 0 JJADRN CC(C)C[C@@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001457805007 1066924388 /nfs/dbraw/zinc/92/43/88/1066924388.db2.gz VIJRQFFUNGMHAQ-OAHLLOKOSA-N 0 0 457.411 4.976 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCC(C)(C)C)n1 ZINC001492749638 1066924612 /nfs/dbraw/zinc/92/46/12/1066924612.db2.gz GAIUGKOZTDGWNE-NRFANRHFSA-N 0 0 487.693 4.802 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C(\C)c2ccccc2OC(F)F)c1 ZINC001448406869 1066924615 /nfs/dbraw/zinc/92/46/15/1066924615.db2.gz UXRAQHXXAQVDNS-DTQAZKPQSA-N 0 0 452.523 4.717 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546005674 1066924958 /nfs/dbraw/zinc/92/49/58/1066924958.db2.gz GZRABRKJNVHMAW-YQVWRLOYSA-N 0 0 451.681 4.644 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cn1)c1ccccc1 ZINC001448409328 1066924984 /nfs/dbraw/zinc/92/49/84/1066924984.db2.gz XAHQWGCDHZKOOT-WIYYLYMNSA-N 0 0 453.583 4.987 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001448409863 1066925023 /nfs/dbraw/zinc/92/50/23/1066925023.db2.gz ZWHMNYPWZIHOGK-HXUWFJFHSA-N 0 0 450.579 4.993 20 0 JJADRN C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001448409285 1066925060 /nfs/dbraw/zinc/92/50/60/1066925060.db2.gz XTKDVOXZTYGIKZ-LLVKDONJSA-N 0 0 451.321 4.628 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC(C)(C)c2cccs2)n1 ZINC001492750044 1066925187 /nfs/dbraw/zinc/92/51/87/1066925187.db2.gz OQDDSIXIQIENES-HXUWFJFHSA-N 0 0 470.687 4.963 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001546005707 1066925367 /nfs/dbraw/zinc/92/53/67/1066925367.db2.gz HOVHUAIDTGFQCL-HRNLXJSNSA-N 0 0 483.657 4.897 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccc(F)cc2)n1 ZINC001492750378 1066925573 /nfs/dbraw/zinc/92/55/73/1066925573.db2.gz WRJWUCNCGMKOBH-OFNKIYASSA-N 0 0 484.620 4.530 20 0 JJADRN C[C@](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457809467 1066925952 /nfs/dbraw/zinc/92/59/52/1066925952.db2.gz YJPMSLJOOOZIRP-LJQANCHMSA-N 0 0 453.873 4.613 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001448425606 1066926330 /nfs/dbraw/zinc/92/63/30/1066926330.db2.gz BMHADHQTJHZRMC-UHFFFAOYSA-N 0 0 455.352 4.666 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3Cc3cccs3)n2CCSCC(F)(F)F)n1 ZINC001492752038 1066926405 /nfs/dbraw/zinc/92/64/05/1066926405.db2.gz ZGZZVJOXHSQWQC-KRWDZBQOSA-N 0 0 484.617 4.708 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)c(OC[C@H]2CCCO2)c1 ZINC001457814234 1066926615 /nfs/dbraw/zinc/92/66/15/1066926615.db2.gz PABYVTRTWVNITC-GOSISDBHSA-N 0 0 457.368 4.656 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)c(OC[C@H]2CCCO2)c1 ZINC001457813971 1066926791 /nfs/dbraw/zinc/92/67/91/1066926791.db2.gz NOMQLPXESHTMQJ-FUHWJXTLSA-N 0 0 452.473 4.516 20 0 JJADRN Cc1c2cc(C(=O)NC[C@@H](NCc3ccccc3)C(F)(F)F)[nH]c2ccc1Br ZINC001457815546 1066927065 /nfs/dbraw/zinc/92/70/65/1066927065.db2.gz RZYWKBQUQBQABH-GOSISDBHSA-N 0 0 454.290 4.689 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](C)Cc1ccccc1Br ZINC001457814758 1066927075 /nfs/dbraw/zinc/92/70/75/1066927075.db2.gz KVHNZKHETOKJTK-HNNXBMFYSA-N 0 0 458.352 4.553 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001457814658 1066927095 /nfs/dbraw/zinc/92/70/95/1066927095.db2.gz JYXITLZOCNCGHW-UHFFFAOYSA-N 0 0 457.151 4.875 20 0 JJADRN O=Cc1ccc(-c2ccc(O)c(C(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)c2)o1 ZINC001448437019 1066927103 /nfs/dbraw/zinc/92/71/03/1066927103.db2.gz WEBJTDLVGHPLLX-QGZVFWFLSA-N 0 0 453.800 4.600 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492755220 1066927221 /nfs/dbraw/zinc/92/72/21/1066927221.db2.gz SKWBYONTYRXRQM-JOCHJYFZSA-N 0 0 454.594 4.539 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2ccc(Cl)s2)n1 ZINC001492754230 1066927264 /nfs/dbraw/zinc/92/72/64/1066927264.db2.gz UDGUCTVMZLVUOS-QHCPKHFHSA-N 0 0 477.078 4.739 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC001457817014 1066927633 /nfs/dbraw/zinc/92/76/33/1066927633.db2.gz PGMDRCLVAKAYLS-CQSZACIVSA-N 0 0 454.324 4.925 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492755632 1066927591 /nfs/dbraw/zinc/92/75/91/1066927591.db2.gz FPHPDLKQEXDJBA-MSOLQXFVSA-N 0 0 478.588 4.731 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@H]3C)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492756010 1066927601 /nfs/dbraw/zinc/92/76/01/1066927601.db2.gz OZTCULQCODDSRW-CVEARBPZSA-N 0 0 482.551 4.676 20 0 JJADRN CSc1ccccc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001448438263 1066927634 /nfs/dbraw/zinc/92/76/34/1066927634.db2.gz PIGJXGPTAYBTSV-GAJHUEQPSA-N 0 0 456.633 4.742 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CCC(=O)c1cc(C)sc1C ZINC001448439299 1066927682 /nfs/dbraw/zinc/92/76/82/1066927682.db2.gz LVJNBXQFSGXCLQ-UHFFFAOYSA-N 0 0 455.407 4.800 20 0 JJADRN Cc1cn(C(C)(C)C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cn1 ZINC001457820507 1066927968 /nfs/dbraw/zinc/92/79/68/1066927968.db2.gz LPJLHYZWXBYQSY-UHFFFAOYSA-N 0 0 452.986 4.508 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)n1 ZINC001492756468 1066927984 /nfs/dbraw/zinc/92/79/84/1066927984.db2.gz BOHPSHLSPIWYDX-YPAWHYETSA-N 0 0 485.721 4.930 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)n1 ZINC001492756467 1066928002 /nfs/dbraw/zinc/92/80/02/1066928002.db2.gz BOHPSHLSPIWYDX-BHDDXSALSA-N 0 0 485.721 4.930 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CCN2)cc1 ZINC001448447696 1066928398 /nfs/dbraw/zinc/92/83/98/1066928398.db2.gz GCVVGTWQCDOIIN-INIZCTEOSA-N 0 0 459.281 4.956 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC(C)(C)c2ccccc2F)n1 ZINC001492756898 1066928514 /nfs/dbraw/zinc/92/85/14/1066928514.db2.gz OSHNGGPFQSYPDY-CALCHBBNSA-N 0 0 474.575 4.984 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccccc3Cl)N(C)C)C2)n1 ZINC001492757496 1066928986 /nfs/dbraw/zinc/92/89/86/1066928986.db2.gz ZHIGXARUSCTYDF-NZQKXSOJSA-N 0 0 499.107 4.657 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492757933 1066929347 /nfs/dbraw/zinc/92/93/47/1066929347.db2.gz QTHHKVNFBNBHEJ-KRWDZBQOSA-N 0 0 479.526 4.798 20 0 JJADRN COC(=O)CCSCCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC001448453763 1066929379 /nfs/dbraw/zinc/92/93/79/1066929379.db2.gz RWCSOBGYUFTNAI-UHFFFAOYSA-N 0 0 450.607 4.516 20 0 JJADRN Cc1sc2ncnc(SCC(=O)Nc3cc([C@H](O)c4ccccn4)ccc3C)c2c1C ZINC001448457511 1066929707 /nfs/dbraw/zinc/92/97/07/1066929707.db2.gz CGSKDXHGDPEJJK-NRFANRHFSA-N 0 0 450.589 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnc3c(F)ccc(F)c3c2)C[C@H]1c1ccccc1 ZINC001448456008 1066929722 /nfs/dbraw/zinc/92/97/22/1066929722.db2.gz WVVYIPJZFMIRGP-GHTZIAJQSA-N 0 0 453.489 4.646 20 0 JJADRN Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(OC(C)(C)C)c1 ZINC001457833253 1066930501 /nfs/dbraw/zinc/93/05/01/1066930501.db2.gz RLDHNMHDDUOBEV-JOCHJYFZSA-N 0 0 458.521 4.978 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001457833985 1066930523 /nfs/dbraw/zinc/93/05/23/1066930523.db2.gz WALCIGCCSCTAQZ-UHFFFAOYSA-N 0 0 454.456 4.525 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457834549 1066930706 /nfs/dbraw/zinc/93/07/06/1066930706.db2.gz QKFSKNLXPSBDLZ-WTOYTKOKSA-N 0 0 451.449 4.904 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)CC2)n1 ZINC001492758848 1066931176 /nfs/dbraw/zinc/93/11/76/1066931176.db2.gz ONPIUFKYOGWHOT-UHFFFAOYSA-N 0 0 472.037 4.539 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC4CCCC4)n3CCSC(F)(F)F)CC2)n1 ZINC001492758637 1066931194 /nfs/dbraw/zinc/93/11/94/1066931194.db2.gz JTBCAZBZQGOXFP-UHFFFAOYSA-N 0 0 470.609 4.994 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)OCc2noc(-c3ccccc3C)n2)cc1 ZINC001457842709 1066931417 /nfs/dbraw/zinc/93/14/17/1066931417.db2.gz PMXZBHWVRISVPN-UHFFFAOYSA-N 0 0 453.296 4.659 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC001448485037 1066931546 /nfs/dbraw/zinc/93/15/46/1066931546.db2.gz JSIMEOYAIIYVMT-JJRVBVJISA-N 0 0 451.773 4.578 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccc(F)c(NC(N)=O)c2)s1 ZINC001457843074 1066931617 /nfs/dbraw/zinc/93/16/17/1066931617.db2.gz BFUDHBDZJJQFFV-UHFFFAOYSA-N 0 0 457.512 4.767 20 0 JJADRN C[C@@H](CC(=O)Nc1nc(Cc2ccccc2Br)cs1)NC(=O)C1CCCC1 ZINC001546094663 1066931863 /nfs/dbraw/zinc/93/18/63/1066931863.db2.gz UKBNWVXUQGUANH-ZDUSSCGKSA-N 0 0 450.402 4.520 20 0 JJADRN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1SC ZINC001457850064 1066931901 /nfs/dbraw/zinc/93/19/01/1066931901.db2.gz JZTPNGJNKOMSRM-OAQYLSRUSA-N 0 0 450.560 4.893 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cs1 ZINC001448485008 1066931973 /nfs/dbraw/zinc/93/19/73/1066931973.db2.gz BNRDSIBZBJRGCK-UHFFFAOYSA-N 0 0 457.493 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3cccc(NCC(F)(F)F)c3)nc2C1 ZINC001448485503 1066932021 /nfs/dbraw/zinc/93/20/21/1066932021.db2.gz GBJZNNDLVZHDTG-UHFFFAOYSA-N 0 0 450.461 4.601 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)CCO2)n1 ZINC001492760034 1066932184 /nfs/dbraw/zinc/93/21/84/1066932184.db2.gz TWSUJGIAJBOVQI-NRFANRHFSA-N 0 0 484.620 4.541 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCCO2)n1 ZINC001492760363 1066932296 /nfs/dbraw/zinc/93/22/96/1066932296.db2.gz BYVXIDNHXGXNSO-IBGZPJMESA-N 0 0 460.985 4.647 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1(C)C ZINC001448490485 1066932760 /nfs/dbraw/zinc/93/27/60/1066932760.db2.gz YFSSHWUBWWIAER-HRGDABNKSA-N 0 0 452.595 4.910 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC001492760510 1066932724 /nfs/dbraw/zinc/93/27/24/1066932724.db2.gz IAAZULPUYMSHEP-CVDCTZTESA-N 0 0 493.656 4.507 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cnc(-c4ccccc4Cl)nc3)cc2c(OC)c1 ZINC001457859871 1066932948 /nfs/dbraw/zinc/93/29/48/1066932948.db2.gz PCGRUHGQOXAUGU-UHFFFAOYSA-N 0 0 450.926 4.658 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)s3)nnc2N2CCC(C)CC2)n1 ZINC001492760646 1066933183 /nfs/dbraw/zinc/93/31/83/1066933183.db2.gz MCMRNUVPFXUGJD-UHFFFAOYSA-N 0 0 463.449 4.909 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)n1 ZINC001492760851 1066933405 /nfs/dbraw/zinc/93/34/05/1066933405.db2.gz UNZQFBCWBBFRLU-NRFANRHFSA-N 0 0 490.574 4.914 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Br)cc2)n1 ZINC001492760866 1066933472 /nfs/dbraw/zinc/93/34/72/1066933472.db2.gz UUYKFBZWGOULHP-UHFFFAOYSA-N 0 0 480.414 4.643 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1 ZINC001448500598 1066933744 /nfs/dbraw/zinc/93/37/44/1066933744.db2.gz DXUBLENHVLTNES-ZDUSSCGKSA-N 0 0 452.343 4.714 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC=C(C(F)(F)F)CC2)n1 ZINC001492761249 1066933830 /nfs/dbraw/zinc/93/38/30/1066933830.db2.gz HEMYURVRLSFCHB-UHFFFAOYSA-N 0 0 480.485 4.750 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)n1 ZINC001492761021 1066933871 /nfs/dbraw/zinc/93/38/71/1066933871.db2.gz BJYPBCKWKHTNNT-UHFFFAOYSA-N 0 0 494.594 4.601 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)NCc3nc(-c4ccccc4F)cs3)n2)cc1 ZINC001448502912 1066933987 /nfs/dbraw/zinc/93/39/87/1066933987.db2.gz NEEWMISBHJYJIX-UHFFFAOYSA-N 0 0 452.511 4.647 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2OCC)[C@@H]1c1ccc(OC)cc1 ZINC001457872296 1066934011 /nfs/dbraw/zinc/93/40/11/1066934011.db2.gz VLJPUVFZDFKMFR-BVAGGSTKSA-N 0 0 452.595 4.799 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457871782 1066934049 /nfs/dbraw/zinc/93/40/49/1066934049.db2.gz KFVLDHUPWKMXCD-LJQANCHMSA-N 0 0 458.628 4.724 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC001457873082 1066934160 /nfs/dbraw/zinc/93/41/60/1066934160.db2.gz ZYBZBLLGFNKNEJ-NRFANRHFSA-N 0 0 456.464 4.805 20 0 JJADRN COc1nc2ccc(NC(=O)c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)no3)cc2s1 ZINC001448502267 1066934181 /nfs/dbraw/zinc/93/41/81/1066934181.db2.gz XYVKTNAUEJAJGW-UHFFFAOYSA-N 0 0 458.540 4.660 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)s2)n1 ZINC001492761399 1066934167 /nfs/dbraw/zinc/93/41/67/1066934167.db2.gz LNFDXQOGGDOSTK-UHFFFAOYSA-N 0 0 474.432 4.637 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCCO3)nnc2N(Cc2cccc(F)c2)C(C)C)n1 ZINC001492761638 1066934225 /nfs/dbraw/zinc/93/42/25/1066934225.db2.gz SDVTUPZKIOPEDG-QHCPKHFHSA-N 0 0 454.594 4.977 20 0 JJADRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001448507088 1066934504 /nfs/dbraw/zinc/93/45/04/1066934504.db2.gz GPMPSDXYGCRKDL-CTYIDZIISA-N 0 0 454.374 4.981 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C(C)C)n1 ZINC001492761868 1066934523 /nfs/dbraw/zinc/93/45/23/1066934523.db2.gz YWVJOOBDPKMYJM-GOTSBHOMSA-N 0 0 499.704 4.921 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001492762306 1066935039 /nfs/dbraw/zinc/93/50/39/1066935039.db2.gz MSIYCNPCWJKJMO-MSOLQXFVSA-N 0 0 457.022 4.896 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1)c1ccc(=O)[nH]c1 ZINC001448510413 1066935185 /nfs/dbraw/zinc/93/51/85/1066935185.db2.gz REZNZOLAMCNNGI-IRJFHVNHSA-N 0 0 455.436 4.734 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC001492762617 1066935486 /nfs/dbraw/zinc/93/54/86/1066935486.db2.gz YJQDJTRRZOCCLV-QQUTXWOLSA-N 0 0 499.704 4.967 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001448513584 1066935631 /nfs/dbraw/zinc/93/56/31/1066935631.db2.gz GXIPYJBSCHLMAP-IAGOWNOFSA-N 0 0 451.405 4.902 20 0 JJADRN C[C@@H](Sc1nc(CC(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cs1)C(N)=O ZINC001457883674 1066935815 /nfs/dbraw/zinc/93/58/15/1066935815.db2.gz CCUWFHAFMJADKT-YJYMSZOUSA-N 0 0 452.045 4.743 20 0 JJADRN CC(C)COc1ccc(CC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC001457882585 1066935826 /nfs/dbraw/zinc/93/58/26/1066935826.db2.gz DMGMJHBAYZAGRC-OAHLLOKOSA-N 0 0 458.356 4.954 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NC(C)(C)C1CCOCC1 ZINC001448518725 1066935987 /nfs/dbraw/zinc/93/59/87/1066935987.db2.gz RNYUDQHQWFEBNC-UHFFFAOYSA-N 0 0 451.633 4.501 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)c2C(F)(F)F)cc1 ZINC001457885826 1066936135 /nfs/dbraw/zinc/93/61/35/1066936135.db2.gz WEPOQJYKBBIPTB-IBGZPJMESA-N 0 0 459.468 4.606 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)[C@@H](OCC3CCCC3)c3ccccc3)CC2)c1 ZINC001457884863 1066936170 /nfs/dbraw/zinc/93/61/70/1066936170.db2.gz VCASTSDBYMSFJW-SANMLTNESA-N 0 0 452.595 4.691 20 0 JJADRN CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)s1 ZINC001457884836 1066936182 /nfs/dbraw/zinc/93/61/82/1066936182.db2.gz HRQRPRDCYRVECM-HXUWFJFHSA-N 0 0 455.045 4.545 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533197 1066936307 /nfs/dbraw/zinc/93/63/07/1066936307.db2.gz DOEZHXSQXVMOMF-XXBNENTESA-N 0 0 453.583 4.662 20 0 JJADRN CCc1cccc2c(CC(=O)N[C@H](C)c3nc(-c4ccc(Br)cc4)no3)c[nH]c21 ZINC001457886462 1066936404 /nfs/dbraw/zinc/93/64/04/1066936404.db2.gz PXRKVCKQCXQAMW-CYBMUJFWSA-N 0 0 453.340 4.963 20 0 JJADRN Cc1c(C(=O)NCc2cc(C)ccc2OC(F)F)cnn1-c1ccc(Br)cc1 ZINC001457886004 1066936438 /nfs/dbraw/zinc/93/64/38/1066936438.db2.gz KJYKKRWOXZAKLF-UHFFFAOYSA-N 0 0 450.283 4.783 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492765329 1066936472 /nfs/dbraw/zinc/93/64/72/1066936472.db2.gz CXMYELPAYMIHHG-IRXDYDNUSA-N 0 0 454.644 4.649 20 0 JJADRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 ZINC001448536323 1066936832 /nfs/dbraw/zinc/93/68/32/1066936832.db2.gz DESVNSHEONDLEV-NRFANRHFSA-N 0 0 456.587 4.516 20 0 JJADRN Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc(Cl)n1 ZINC001457891594 1066937173 /nfs/dbraw/zinc/93/71/73/1066937173.db2.gz BHPSHUKWZIRZCE-KRWDZBQOSA-N 0 0 457.880 4.944 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)CC2)cn1 ZINC001457891406 1066937329 /nfs/dbraw/zinc/93/73/29/1066937329.db2.gz OJOXVNVQJDRYAI-UHFFFAOYSA-N 0 0 459.333 4.999 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N(Cc2ccccc2F)C2CCC2)c1I ZINC001457891607 1066937354 /nfs/dbraw/zinc/93/73/54/1066937354.db2.gz MHVQGBSJNCGJPR-UHFFFAOYSA-N 0 0 455.315 4.577 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)ccc1Br ZINC001448539539 1066937590 /nfs/dbraw/zinc/93/75/90/1066937590.db2.gz KKELPFATUYBQBJ-SFTDATJTSA-N 0 0 456.384 4.578 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC001448540861 1066937671 /nfs/dbraw/zinc/93/76/71/1066937671.db2.gz MYDBHXDKAXTGKN-AKWBHNSASA-N 0 0 456.167 4.547 20 0 JJADRN Cc1c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)nnn1-c1ccc(OC(F)F)cc1 ZINC001457894495 1066937649 /nfs/dbraw/zinc/93/76/49/1066937649.db2.gz YJRAENHAQSAKRA-UHFFFAOYSA-N 0 0 458.484 4.944 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492765785 1066937693 /nfs/dbraw/zinc/93/76/93/1066937693.db2.gz RSVDNKKLYCDWJC-UHFFFAOYSA-N 0 0 461.035 4.785 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001448541320 1066937908 /nfs/dbraw/zinc/93/79/08/1066937908.db2.gz OILFLBPPTZUJAS-MAUKXSAKSA-N 0 0 454.286 4.587 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)s1 ZINC001492765875 1066938113 /nfs/dbraw/zinc/93/81/13/1066938113.db2.gz VIHFOCJVOZBLPT-CQSZACIVSA-N 0 0 455.538 4.608 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)cc21 ZINC001448544557 1066938412 /nfs/dbraw/zinc/93/84/12/1066938412.db2.gz IDPZVWKHMZGQPC-UHFFFAOYSA-N 0 0 458.356 4.980 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492766028 1066938548 /nfs/dbraw/zinc/93/85/48/1066938548.db2.gz ZHVOHAXBKSBCOI-ZACQAIPSSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001448550548 1066938426 /nfs/dbraw/zinc/93/84/26/1066938426.db2.gz OUNPIQMPBXXGIF-LBPRGKRZSA-N 0 0 454.493 4.823 20 0 JJADRN COC(=O)c1cc(C)c(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)o1 ZINC001448552303 1066938757 /nfs/dbraw/zinc/93/87/57/1066938757.db2.gz TWPJYQLUIADNHV-UHFFFAOYSA-N 0 0 456.417 4.670 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccccc2N(C)C2CCCC2)c1I ZINC001457902715 1066938841 /nfs/dbraw/zinc/93/88/41/1066938841.db2.gz UJOLQLJQHSKVOF-UHFFFAOYSA-N 0 0 452.340 4.700 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)s1 ZINC001492766349 1066938866 /nfs/dbraw/zinc/93/88/66/1066938866.db2.gz JVLRZDZARABXGC-SFHVURJKSA-N 0 0 464.998 4.741 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553664 1066938962 /nfs/dbraw/zinc/93/89/62/1066938962.db2.gz QZIDWDSGBFIJIW-ORAYPTAESA-N 0 0 458.502 4.511 20 0 JJADRN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001457901680 1066938927 /nfs/dbraw/zinc/93/89/27/1066938927.db2.gz FGXCEDSBXSHYGC-YOEHRIQHSA-N 0 0 475.349 4.709 20 0 JJADRN CC(C)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001457902959 1066939264 /nfs/dbraw/zinc/93/92/64/1066939264.db2.gz LIZNFEZBJKWXBS-UHFFFAOYSA-N 0 0 454.564 4.505 20 0 JJADRN COc1ccccc1[C@@](N)(C(=O)N1CCC(CCc2ccc(F)cc2F)CC1)C(F)(F)F ZINC001457902699 1066939302 /nfs/dbraw/zinc/93/93/02/1066939302.db2.gz GERIGGKOESZTQZ-JOCHJYFZSA-N 0 0 456.455 4.561 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC001492766765 1066939310 /nfs/dbraw/zinc/93/93/10/1066939310.db2.gz VYXWPAYTZMMVRH-ZJSXRUAMSA-N 0 0 468.671 4.873 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N2Cc3cccc(Br)c3C2)s1 ZINC001492766821 1066939485 /nfs/dbraw/zinc/93/94/85/1066939485.db2.gz XLMYJKPZQXCKNX-UHFFFAOYSA-N 0 0 461.433 4.552 20 0 JJADRN Cc1nnc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(C)C)CC2)s1 ZINC001492766767 1066939510 /nfs/dbraw/zinc/93/95/10/1066939510.db2.gz WACFWNMUYZTNRL-UHFFFAOYSA-N 0 0 460.598 4.812 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)OC ZINC001546007994 1066939321 /nfs/dbraw/zinc/93/93/21/1066939321.db2.gz ILJDLZVGFVRQTR-OAQYLSRUSA-N 0 0 496.656 4.590 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC001457907469 1066939729 /nfs/dbraw/zinc/93/97/29/1066939729.db2.gz ULDWTQVKZUATBY-XOBRGWDASA-N 0 0 451.398 4.548 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC001457907461 1066939760 /nfs/dbraw/zinc/93/97/60/1066939760.db2.gz ULDWTQVKZUATBY-JLTOFOAXSA-N 0 0 451.398 4.548 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)s1 ZINC001492766973 1066939743 /nfs/dbraw/zinc/93/97/43/1066939743.db2.gz BLVLMTLZUKAHOI-UHFFFAOYSA-N 0 0 485.466 4.510 20 0 JJADRN Cc1nnc(CCCn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)s1 ZINC001492767084 1066939792 /nfs/dbraw/zinc/93/97/92/1066939792.db2.gz GCONKAJJMHZXCW-SFHVURJKSA-N 0 0 461.035 4.600 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492767151 1066939877 /nfs/dbraw/zinc/93/98/77/1066939877.db2.gz IJTKDLZRDCACCX-MRXNPFEDSA-N 0 0 458.607 4.661 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001492767121 1066939906 /nfs/dbraw/zinc/93/99/06/1066939906.db2.gz HKVNDLZGZFEVET-HXUWFJFHSA-N 0 0 454.644 4.749 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)s1 ZINC001448571596 1066939897 /nfs/dbraw/zinc/93/98/97/1066939897.db2.gz NVPVYGJQEGMYRI-UHFFFAOYSA-N 0 0 452.580 4.795 20 0 JJADRN COc1cc(-c2ccccc2)sc1C(=O)Nc1ncc(F)cc1I ZINC001457909383 1066940066 /nfs/dbraw/zinc/94/00/66/1066940066.db2.gz FEZKDPFWCQDIHE-UHFFFAOYSA-N 0 0 454.264 4.815 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001492767712 1066940878 /nfs/dbraw/zinc/94/08/78/1066940878.db2.gz BYAXLTFSUIGFEA-LBPRGKRZSA-N 0 0 467.426 4.658 20 0 JJADRN Cc1nnc(CCCn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492767804 1066940911 /nfs/dbraw/zinc/94/09/11/1066940911.db2.gz ZTKYQHNFUULSKE-QZTJIDSGSA-N 0 0 456.685 4.576 20 0 JJADRN Cc1nnc(CCCn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)s1 ZINC001492767811 1066940922 /nfs/dbraw/zinc/94/09/22/1066940922.db2.gz ZVIOURHRUXKISZ-VQIMIIECSA-N 0 0 478.588 4.881 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2C(F)(F)F)s1 ZINC001492767752 1066940972 /nfs/dbraw/zinc/94/09/72/1066940972.db2.gz ZAPBJHKKABDTJO-UHFFFAOYSA-N 0 0 487.555 4.712 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001448597560 1066941042 /nfs/dbraw/zinc/94/10/42/1066941042.db2.gz XXFRATKIMGSQJG-UHFFFAOYSA-N 0 0 459.586 4.531 20 0 JJADRN Cc1nc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)sc1Cc1ccc(F)cc1F ZINC001448609218 1066941313 /nfs/dbraw/zinc/94/13/13/1066941313.db2.gz QZZNBVKIMQJFLZ-UHFFFAOYSA-N 0 0 457.546 4.987 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3CCC(C)C)c2)cc1 ZINC001457915940 1066941344 /nfs/dbraw/zinc/94/13/44/1066941344.db2.gz UFGIWBMPQVZQJE-QFIPXVFZSA-N 0 0 458.624 4.951 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](CC(C)C)C2)s1 ZINC001492768202 1066941487 /nfs/dbraw/zinc/94/14/87/1066941487.db2.gz PWWARZCBPIQCAE-AEFFLSMTSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001457921155 1066941803 /nfs/dbraw/zinc/94/18/03/1066941803.db2.gz XMXIJWZRLDIWKW-IBGZPJMESA-N 0 0 453.823 4.709 20 0 JJADRN Cc1nc(NC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)sc1Cc1ccc(F)cc1F ZINC001448612382 1066941812 /nfs/dbraw/zinc/94/18/12/1066941812.db2.gz ZINLONZWQSYBMF-ZIAGYGMSSA-N 0 0 458.534 4.581 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2scnc2C)s1 ZINC001492768380 1066942260 /nfs/dbraw/zinc/94/22/60/1066942260.db2.gz VNZFMEBCTREAMC-CQSZACIVSA-N 0 0 490.058 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)Cc2ccccc21 ZINC001457927034 1066942316 /nfs/dbraw/zinc/94/23/16/1066942316.db2.gz FYPKADMVEINHOS-AWEZNQCLSA-N 0 0 455.864 4.850 20 0 JJADRN O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932339 1066942611 /nfs/dbraw/zinc/94/26/11/1066942611.db2.gz FEJCMHKLVAPSGK-CYBMUJFWSA-N 0 0 457.789 4.675 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 ZINC001492768468 1066942618 /nfs/dbraw/zinc/94/26/18/1066942618.db2.gz XTDQDWHKXDAZHZ-UHFFFAOYSA-N 0 0 469.018 4.551 20 0 JJADRN Cc1nnc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492768743 1066942647 /nfs/dbraw/zinc/94/26/47/1066942647.db2.gz HBUNLPHRBKZKLL-UHFFFAOYSA-N 0 0 474.421 4.610 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001492769426 1066942676 /nfs/dbraw/zinc/94/26/76/1066942676.db2.gz AJJHCWHNAHUMGB-CYBMUJFWSA-N 0 0 497.452 4.570 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1cc2c(=O)[nH]cnc2cn1 ZINC001457931862 1066942692 /nfs/dbraw/zinc/94/26/92/1066942692.db2.gz YJYRHMJDVWJOSJ-UHFFFAOYSA-N 0 0 455.243 4.677 20 0 JJADRN Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cnn1C1CCCC1 ZINC001448617880 1066942785 /nfs/dbraw/zinc/94/27/85/1066942785.db2.gz BTDFZWMLQKDTTG-UHFFFAOYSA-N 0 0 452.580 4.977 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(Br)cc1 ZINC001457932989 1066942878 /nfs/dbraw/zinc/94/28/78/1066942878.db2.gz BTMFKANFWKHQEI-JOCHJYFZSA-N 0 0 456.384 4.897 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(Nc4cccc(Br)c4)CC3)cc2C1 ZINC001448617146 1066942886 /nfs/dbraw/zinc/94/28/86/1066942886.db2.gz NRXKZQPPAKGMQT-OAHLLOKOSA-N 0 0 458.400 4.781 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@@H](C)CC[C@@H]2C)s1 ZINC001492771079 1066943517 /nfs/dbraw/zinc/94/35/17/1066943517.db2.gz JJOCIGLTEXBQSL-RYUDHWBXSA-N 0 0 465.396 4.680 20 0 JJADRN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448621364 1066943725 /nfs/dbraw/zinc/94/37/25/1066943725.db2.gz LXYMDLSOJVZDRD-UHFFFAOYSA-N 0 0 458.278 4.502 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cc(NCc3ccccc3)nc3ccccc32)C1 ZINC001457936067 1066943837 /nfs/dbraw/zinc/94/38/37/1066943837.db2.gz MNILDCSZSXRVOI-ZWKOTPCHSA-N 0 0 471.479 4.661 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccc2c(=O)cc[nH]c2c1 ZINC001448620025 1066943776 /nfs/dbraw/zinc/94/37/76/1066943776.db2.gz IFARCPJUROGLNW-UHFFFAOYSA-N 0 0 451.935 4.734 20 0 JJADRN CC1(C)CCc2[nH]c(=O)c(C(=O)N3CCC(Nc4cccc(Br)c4)CC3)cc2C1 ZINC001448621212 1066943803 /nfs/dbraw/zinc/94/38/03/1066943803.db2.gz KYRLCSBACNYHLB-UHFFFAOYSA-N 0 0 458.400 4.781 20 0 JJADRN Cc1nc(NC(=O)C[C@@H](NC(N)=O)c2cccs2)sc1Cc1cccc(Cl)c1F ZINC001448620389 1066943876 /nfs/dbraw/zinc/94/38/76/1066943876.db2.gz YMTHYLITOLYGTL-CYBMUJFWSA-N 0 0 452.964 4.635 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N(C)CCOc3ccccc3C(C)(C)C)n2)c1 ZINC001448619936 1066943888 /nfs/dbraw/zinc/94/38/88/1066943888.db2.gz JPPSSLOJZPXOBM-UHFFFAOYSA-N 0 0 455.580 4.672 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC(C)(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)CCO1 ZINC001546095210 1066944215 /nfs/dbraw/zinc/94/42/15/1066944215.db2.gz IRATUDSMXWEBKN-SANMLTNESA-N 0 0 453.631 4.659 20 0 JJADRN CN(CCCCC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)OC(C)(C)C ZINC001448623089 1066944320 /nfs/dbraw/zinc/94/43/20/1066944320.db2.gz YTXGBJHLIDJXTI-WKILWMFISA-N 0 0 457.384 4.988 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001448622113 1066944395 /nfs/dbraw/zinc/94/43/95/1066944395.db2.gz VHKAHEPLLNOSGF-QFIPXVFZSA-N 0 0 457.590 4.629 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC001448622001 1066944441 /nfs/dbraw/zinc/94/44/41/1066944441.db2.gz UKPLJKRSEZYTAM-RZDIXWSQSA-N 0 0 450.323 4.838 20 0 JJADRN O=C(NCc1ccncc1C(F)(F)F)c1cccnc1Oc1cccc(Br)c1 ZINC001448623575 1066944757 /nfs/dbraw/zinc/94/47/57/1066944757.db2.gz XAKBCPDBEUVTCG-UHFFFAOYSA-N 0 0 452.230 4.980 20 0 JJADRN Cn1c2cccc(F)c2nc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001457945541 1066945198 /nfs/dbraw/zinc/94/51/98/1066945198.db2.gz BLAJIBMQNGKMRT-IBGZPJMESA-N 0 0 450.901 4.866 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)Cc2cccs2)s1 ZINC001492773462 1066945289 /nfs/dbraw/zinc/94/52/89/1066945289.db2.gz HEYVWMCQSZTPQE-UHFFFAOYSA-N 0 0 491.440 4.526 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(CC)CC1CC1)NC(=O)OC(C)(C)C ZINC001546008345 1066945424 /nfs/dbraw/zinc/94/54/24/1066945424.db2.gz PAUXVFBPVTVMGU-NRFANRHFSA-N 0 0 466.630 4.821 20 0 JJADRN Cc1noc(COc2ccc(C(=O)N[C@H](c3cccc(F)c3)c3cccc(Cl)c3)cn2)n1 ZINC001457946766 1066945480 /nfs/dbraw/zinc/94/54/80/1066945480.db2.gz DYTAIEWNCGHEHD-QFIPXVFZSA-N 0 0 452.873 4.664 20 0 JJADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457945635 1066945543 /nfs/dbraw/zinc/94/55/43/1066945543.db2.gz BRGCSUYURRMODE-HSZRJFAPSA-N 0 0 459.304 4.764 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(F)c(Cl)c2)s1 ZINC001492773803 1066945650 /nfs/dbraw/zinc/94/56/50/1066945650.db2.gz SEWGWNZQWXVBTR-DNVCBOLYSA-N 0 0 479.025 4.834 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC001448631673 1066945789 /nfs/dbraw/zinc/94/57/89/1066945789.db2.gz SFWGWIVBZOJBQT-SHTZXODSSA-N 0 0 458.331 4.622 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC001457947344 1066945905 /nfs/dbraw/zinc/94/59/05/1066945905.db2.gz HJHQSWDGBUIXQN-BEFAXECRSA-N 0 0 452.352 4.647 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)CCC1 ZINC001457948888 1066946276 /nfs/dbraw/zinc/94/62/76/1066946276.db2.gz AFSIBCAXKKJFQH-UHFFFAOYSA-N 0 0 452.636 4.965 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001457949586 1066946404 /nfs/dbraw/zinc/94/64/04/1066946404.db2.gz IJBGRNIDEGZJBD-UHFFFAOYSA-N 0 0 458.493 4.767 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@@H](c3cccc(F)c3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001448646295 1066946326 /nfs/dbraw/zinc/94/63/26/1066946326.db2.gz JPNWJYMHXHHPSV-DSBYRVASSA-N 0 0 452.570 4.930 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C)s1)Oc1cccc(F)c1 ZINC001546008435 1066946392 /nfs/dbraw/zinc/94/63/92/1066946392.db2.gz QPWRIKCBDBWZPS-FQEVSTJZSA-N 0 0 483.617 4.538 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N(c1ccc(F)cc1)C1CCCC1 ZINC001457950046 1066946423 /nfs/dbraw/zinc/94/64/23/1066946423.db2.gz JDXBRHGEBXKCKY-UHFFFAOYSA-N 0 0 450.963 4.853 20 0 JJADRN Cc1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492776371 1066946602 /nfs/dbraw/zinc/94/66/02/1066946602.db2.gz XKCOTVSFVBTJSA-KNQAVFIVSA-N 0 0 471.646 4.929 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC001448652355 1066946861 /nfs/dbraw/zinc/94/68/61/1066946861.db2.gz QAEWDSUOWHIZEB-QYBDOPJKSA-N 0 0 454.542 4.517 20 0 JJADRN CN(C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448659711 1066947259 /nfs/dbraw/zinc/94/72/59/1066947259.db2.gz GYFMEHVRJPCHBU-URXFXBBRSA-N 0 0 451.007 4.792 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)N(C)C2CCCCC2)cc1C ZINC001457953458 1066947496 /nfs/dbraw/zinc/94/74/96/1066947496.db2.gz SLALSAKKWOYIGF-UHFFFAOYSA-N 0 0 458.606 4.736 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Br)c[nH]2)c(Br)c1 ZINC001448666307 1066947603 /nfs/dbraw/zinc/94/76/03/1066947603.db2.gz DIQZIJULVGPENF-HNNXBMFYSA-N 0 0 456.178 4.670 20 0 JJADRN O=C([C@H]1CCCc2cccnc21)N1CCc2cc(Br)c(Br)cc2C1 ZINC001457954897 1066947977 /nfs/dbraw/zinc/94/79/77/1066947977.db2.gz WJKOOYILMIVDAR-HNNXBMFYSA-N 0 0 450.174 4.611 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1=O ZINC001457954384 1066947994 /nfs/dbraw/zinc/94/79/94/1066947994.db2.gz ZLNWAVGHJWOFHW-MHECFPHRSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(C)c1 ZINC001457956683 1066948530 /nfs/dbraw/zinc/94/85/30/1066948530.db2.gz CXONIBDXUNFBQU-QFIPXVFZSA-N 0 0 459.615 4.813 20 0 JJADRN Cc1nnc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)n1CCc1csc2ccccc12 ZINC001492783019 1066948622 /nfs/dbraw/zinc/94/86/22/1066948622.db2.gz INTYTUFMXRXZES-INIZCTEOSA-N 0 0 454.600 4.797 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)cc(Cl)c2N)c(Br)c1 ZINC001448673895 1066948721 /nfs/dbraw/zinc/94/87/21/1066948721.db2.gz XSQOYZBBSGNYEM-HNNXBMFYSA-N 0 0 455.755 4.954 20 0 JJADRN O=C(CSc1cccc2cccc(Cl)c21)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001457960139 1066948752 /nfs/dbraw/zinc/94/87/52/1066948752.db2.gz LBYFWIMMNVMFSJ-FQEVSTJZSA-N 0 0 453.007 4.935 20 0 JJADRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(I)c(Cl)cc1Cl ZINC001457958267 1066948855 /nfs/dbraw/zinc/94/88/55/1066948855.db2.gz TYOZECBOBGVDAQ-SNVBAGLBSA-N 0 0 454.135 4.820 20 0 JJADRN Cc1scc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1C ZINC001457965580 1066949121 /nfs/dbraw/zinc/94/91/21/1066949121.db2.gz BEROKGGLSVWLPT-UHFFFAOYSA-N 0 0 452.960 4.888 20 0 JJADRN Cc1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492785067 1066949139 /nfs/dbraw/zinc/94/91/39/1066949139.db2.gz CPHKKSJFONKOAN-KNQAVFIVSA-N 0 0 459.516 4.847 20 0 JJADRN COc1ccc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)c(I)c1 ZINC001457961469 1066949162 /nfs/dbraw/zinc/94/91/62/1066949162.db2.gz OERAZPCCMGGBBZ-UHFFFAOYSA-N 0 0 457.739 4.952 20 0 JJADRN Cc1ccnc(-n2nccc2NC(=O)CCc2cc(C(F)(F)F)ccc2Br)c1 ZINC001457962451 1066949246 /nfs/dbraw/zinc/94/92/46/1066949246.db2.gz BGSMWHCXWWEBKR-UHFFFAOYSA-N 0 0 453.262 4.928 20 0 JJADRN Cc1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1Cc1sccc1Br ZINC001492787739 1066949413 /nfs/dbraw/zinc/94/94/13/1066949413.db2.gz AXMREYKQMGIZHO-KRWDZBQOSA-N 0 0 465.392 4.784 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2CSC(c3ccccc3)=N2)cnn1-c1cc(F)c(OC)cc1F ZINC001448678163 1066949613 /nfs/dbraw/zinc/94/96/13/1066949613.db2.gz RKHYWKUHPCVIIB-SFHVURJKSA-N 0 0 456.518 4.612 20 0 JJADRN Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492788837 1066949963 /nfs/dbraw/zinc/94/99/63/1066949963.db2.gz DKSRPDAHSITQQW-RBBKRZOGSA-N 0 0 473.618 4.545 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N[C@@H](C)c3nc(-c4cc(C)ccn4)n[nH]3)cc2)n1 ZINC001448679503 1066949916 /nfs/dbraw/zinc/94/99/16/1066949916.db2.gz OCIHAKVZQQTMJX-HNNXBMFYSA-N 0 0 450.593 4.723 20 0 JJADRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC001448680192 1066950006 /nfs/dbraw/zinc/95/00/06/1066950006.db2.gz RXAODTQGFZKNGN-UHFFFAOYSA-N 0 0 455.339 4.720 20 0 JJADRN Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492789616 1066949983 /nfs/dbraw/zinc/94/99/83/1066949983.db2.gz DLVFKZJCNHDOHS-IBGZPJMESA-N 0 0 466.529 4.975 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448682806 1066950337 /nfs/dbraw/zinc/95/03/37/1066950337.db2.gz GKPAPHAZCJPONQ-AWEZNQCLSA-N 0 0 452.308 4.736 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001492790482 1066950418 /nfs/dbraw/zinc/95/04/18/1066950418.db2.gz HONDPKXKIGSKAK-RXVVDRJESA-N 0 0 491.455 4.577 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492790880 1066950524 /nfs/dbraw/zinc/95/05/24/1066950524.db2.gz SZTRGELXXGKISU-QWHCGFSZSA-N 0 0 467.355 4.703 20 0 JJADRN CCO[C@H](CNC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001448682474 1066950413 /nfs/dbraw/zinc/95/04/13/1066950413.db2.gz MDFKAGNGWIAISM-FYYLOGMGSA-N 0 0 452.551 4.763 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001448684201 1066950472 /nfs/dbraw/zinc/95/04/72/1066950472.db2.gz JSBQYYFKMCJZMH-INIZCTEOSA-N 0 0 451.405 4.630 20 0 JJADRN N[C@](C(=O)N1CCc2cc(Br)c(Cl)cc21)(c1cccc(F)c1)C(F)(F)F ZINC001457976837 1066950506 /nfs/dbraw/zinc/95/05/06/1066950506.db2.gz XBEKVJLDVBZOOM-INIZCTEOSA-N 0 0 451.645 4.547 20 0 JJADRN Cc1nnc(N2Cc3cccc(Br)c3C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492795009 1066950903 /nfs/dbraw/zinc/95/09/03/1066950903.db2.gz NTXNVKBFLGFIDR-UHFFFAOYSA-N 0 0 468.186 4.683 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001492795510 1066950915 /nfs/dbraw/zinc/95/09/15/1066950915.db2.gz YDRUVGUSRPLLAF-OAHLLOKOSA-N 0 0 478.435 4.778 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1-c1ccc(Cl)cc1 ZINC001457979441 1066951230 /nfs/dbraw/zinc/95/12/30/1066951230.db2.gz IGEFIHYVLYHKRJ-CYBMUJFWSA-N 0 0 453.955 4.948 20 0 JJADRN Cc1c(Br)cc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)c(=O)n1C ZINC001457979191 1066951247 /nfs/dbraw/zinc/95/12/47/1066951247.db2.gz CDQZQRCDKQVIIL-UHFFFAOYSA-N 0 0 458.183 4.615 20 0 JJADRN CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)N1CCN(C)CC1 ZINC001448687773 1066951334 /nfs/dbraw/zinc/95/13/34/1066951334.db2.gz ODYHASGLLXELQQ-PMACEKPBSA-N 0 0 452.481 4.773 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492797981 1066951299 /nfs/dbraw/zinc/95/12/99/1066951299.db2.gz UTQUIZHLRYPYBZ-DOTOQJQBSA-N 0 0 470.927 4.784 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492797983 1066951342 /nfs/dbraw/zinc/95/13/42/1066951342.db2.gz UTQUIZHLRYPYBZ-RDJZCZTQSA-N 0 0 470.927 4.784 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001457982432 1066951492 /nfs/dbraw/zinc/95/14/92/1066951492.db2.gz KPNULOXLYVFSIF-QGZVFWFLSA-N 0 0 453.363 4.921 20 0 JJADRN Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492798477 1066951829 /nfs/dbraw/zinc/95/18/29/1066951829.db2.gz GYQIAKBOZVXJAR-IEBWSBKVSA-N 0 0 457.644 4.651 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC001457984667 1066951855 /nfs/dbraw/zinc/95/18/55/1066951855.db2.gz PHSWWSHNXJJZGE-OAHLLOKOSA-N 0 0 457.467 4.769 20 0 JJADRN CC(C)[C@@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC001448688274 1066951891 /nfs/dbraw/zinc/95/18/91/1066951891.db2.gz IUOZCLOFIAQMGR-KAYWLYCHSA-N 0 0 451.611 4.516 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001492798819 1066952149 /nfs/dbraw/zinc/95/21/49/1066952149.db2.gz NBYAEXYFDOVYPD-AVRDEDQJSA-N 0 0 456.635 4.551 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1coc(-c2cccs2)n1 ZINC001492798646 1066952230 /nfs/dbraw/zinc/95/22/30/1066952230.db2.gz JRSSEIWAPPHJCL-UHFFFAOYSA-N 0 0 451.396 4.672 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@@H](O)c1ccccc1 ZINC001448692004 1066952243 /nfs/dbraw/zinc/95/22/43/1066952243.db2.gz NSJSMHMWNRCZMW-GOTSBHOMSA-N 0 0 454.617 4.967 20 0 JJADRN CCO[C@@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001448691436 1066952319 /nfs/dbraw/zinc/95/23/19/1066952319.db2.gz NNKGXVBOMQOBDI-QHCPKHFHSA-N 0 0 452.595 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001457985970 1066952399 /nfs/dbraw/zinc/95/23/99/1066952399.db2.gz SGXZUPJPBLXZCV-INIZCTEOSA-N 0 0 457.398 4.557 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC001448694995 1066952563 /nfs/dbraw/zinc/95/25/63/1066952563.db2.gz RNFPBGKEEMSDRE-VWLOTQADSA-N 0 0 455.558 4.731 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)CC1 ZINC001457987826 1066952902 /nfs/dbraw/zinc/95/29/02/1066952902.db2.gz ZWHZSVHWRPEOTE-JOCHJYFZSA-N 0 0 455.961 4.723 20 0 JJADRN Cc1nnc(N2CCC(c3c[nH]c4ccccc43)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492802153 1066953064 /nfs/dbraw/zinc/95/30/64/1066953064.db2.gz JUULUZRDNLKSAO-GOSISDBHSA-N 0 0 466.630 4.955 20 0 JJADRN Cn1c(=O)oc2c1cccc2NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001457988393 1066953265 /nfs/dbraw/zinc/95/32/65/1066953265.db2.gz KLXIJWRNFQDSOE-UHFFFAOYSA-N 0 0 456.285 4.943 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3ccnc(Cl)c3I)CCC2)cc1C ZINC001448720153 1066953515 /nfs/dbraw/zinc/95/35/15/1066953515.db2.gz IWBWHFRLNZJCJB-UHFFFAOYSA-N 0 0 454.739 4.808 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001492804996 1066954010 /nfs/dbraw/zinc/95/40/10/1066954010.db2.gz WFFXUXNNRGLQIJ-UHFFFAOYSA-N 0 0 485.629 4.616 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC001448725106 1066954181 /nfs/dbraw/zinc/95/41/81/1066954181.db2.gz WOVIJJABDVDVRP-UHFFFAOYSA-N 0 0 458.002 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)CCc3cccc(OCc4ccccc4)c3)C[C@H]2C1 ZINC001448729811 1066954334 /nfs/dbraw/zinc/95/43/34/1066954334.db2.gz LACFANMRMVGYRD-ZRZAMGCNSA-N 0 0 450.579 4.524 20 0 JJADRN Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492809134 1066954390 /nfs/dbraw/zinc/95/43/90/1066954390.db2.gz KAAXHTOYLAOMCN-UHFFFAOYSA-N 0 0 485.633 4.513 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001457996886 1066954505 /nfs/dbraw/zinc/95/45/05/1066954505.db2.gz QOKXTASIFJYYIP-BJLQDIEVSA-N 0 0 453.341 4.726 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001457996889 1066954524 /nfs/dbraw/zinc/95/45/24/1066954524.db2.gz QOKXTASIFJYYIP-CMKODMSKSA-N 0 0 453.341 4.726 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(CN(C)C)c(Cl)c3)cc2)cc1 ZINC001448734164 1066954700 /nfs/dbraw/zinc/95/47/00/1066954700.db2.gz COKOPKZGJIYUDK-UHFFFAOYSA-N 0 0 457.983 4.763 20 0 JJADRN O=C(Nc1ccc(Nc2ncccn2)cc1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001448731600 1066954797 /nfs/dbraw/zinc/95/47/97/1066954797.db2.gz BMRPCWILXMJHBL-UHFFFAOYSA-N 0 0 453.340 4.670 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)N(Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997870 1066954743 /nfs/dbraw/zinc/95/47/43/1066954743.db2.gz IKECOIVDRKCNLK-QZTJIDSGSA-N 0 0 451.592 4.562 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001448732849 1066954853 /nfs/dbraw/zinc/95/48/53/1066954853.db2.gz HOIPDLXQAICPBZ-WPYKKVEZSA-N 0 0 452.599 4.613 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CCCCn1cc(Br)cn1 ZINC001492820067 1066955024 /nfs/dbraw/zinc/95/50/24/1066955024.db2.gz CDUMSUBBRIJWDV-UHFFFAOYSA-N 0 0 479.467 4.590 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CCC(S(=O)(=O)CC)CC3)c2C1 ZINC001448739558 1066955274 /nfs/dbraw/zinc/95/52/74/1066955274.db2.gz SBIQEQSNOGFVCY-SFHVURJKSA-N 0 0 456.652 4.815 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)C1CC1 ZINC001492837092 1066955854 /nfs/dbraw/zinc/95/58/54/1066955854.db2.gz DFTFUCBXLBHDIE-YFXJRYMSSA-N 0 0 453.631 4.910 20 0 JJADRN CO[C@H]1CCOc2c(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)cccc21 ZINC001448757367 1066955884 /nfs/dbraw/zinc/95/58/84/1066955884.db2.gz SLKKQVOHTLQBCZ-QFIPXVFZSA-N 0 0 452.532 4.518 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001448766434 1066956210 /nfs/dbraw/zinc/95/62/10/1066956210.db2.gz DHYJVIQNVZSCET-HDBBIHSSSA-N 0 0 453.246 4.503 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001448766438 1066956232 /nfs/dbraw/zinc/95/62/32/1066956232.db2.gz DHYJVIQNVZSCET-POZPLHJXSA-N 0 0 453.246 4.503 20 0 JJADRN CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2ccccc2CC(C)(C)C)CC1 ZINC001458011862 1066956242 /nfs/dbraw/zinc/95/62/42/1066956242.db2.gz JFTGVVCXSFCEGG-UHFFFAOYSA-N 0 0 456.652 4.767 20 0 JJADRN O=C(c1ccc(CSc2cc(Cl)ccc2Cl)cc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001458010372 1066956386 /nfs/dbraw/zinc/95/63/86/1066956386.db2.gz JFXSKHQCLLQNQK-QGZVFWFLSA-N 0 0 451.375 4.952 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458012894 1066956728 /nfs/dbraw/zinc/95/67/28/1066956728.db2.gz PGMIEPQWSLCSDD-VXKWHMMOSA-N 0 0 451.567 4.639 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492842701 1066956775 /nfs/dbraw/zinc/95/67/75/1066956775.db2.gz DRWADNNIVCNAHL-IEBWSBKVSA-N 0 0 477.650 4.789 20 0 JJADRN O=C(c1nc(Br)sc1Cl)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001448784153 1066957643 /nfs/dbraw/zinc/95/76/43/1066957643.db2.gz ILAVOQHQBNQIGG-UHFFFAOYSA-N 0 0 451.173 4.539 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccsc1Br ZINC001492847708 1066957652 /nfs/dbraw/zinc/95/76/52/1066957652.db2.gz KXLVKUPRIPZZLQ-HNNXBMFYSA-N 0 0 484.464 4.542 20 0 JJADRN Cc1ccc(C2(C(=O)N(C)CCN3CCOC(C)(C)C3)CCCCC2)c(Br)c1 ZINC001448787358 1066958055 /nfs/dbraw/zinc/95/80/55/1066958055.db2.gz QZQYNLAJEWNLFB-UHFFFAOYSA-N 0 0 451.449 4.529 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001492848178 1066958166 /nfs/dbraw/zinc/95/81/66/1066958166.db2.gz MZYROEGAAUUNOL-HKBOAZHASA-N 0 0 463.667 4.511 20 0 JJADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001492851312 1066958480 /nfs/dbraw/zinc/95/84/80/1066958480.db2.gz BUMNLGXABWLACY-MRXNPFEDSA-N 0 0 488.436 4.633 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001492850013 1066958492 /nfs/dbraw/zinc/95/84/92/1066958492.db2.gz XYJHKOAHVXOJEY-GOSISDBHSA-N 0 0 470.593 4.533 20 0 JJADRN COC(OC)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)o1 ZINC001458029340 1066958632 /nfs/dbraw/zinc/95/86/32/1066958632.db2.gz YNSSTWYCUSDHDJ-UHFFFAOYSA-N 0 0 459.296 4.838 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCCc1cccc(F)c1 ZINC001492852840 1066958854 /nfs/dbraw/zinc/95/88/54/1066958854.db2.gz VTOOTVFOJMEJJD-HXUWFJFHSA-N 0 0 481.563 4.829 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492852637 1066958889 /nfs/dbraw/zinc/95/88/89/1066958889.db2.gz TWGLUYXXBVOCBQ-GOSISDBHSA-N 0 0 455.628 4.785 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001492851848 1066958971 /nfs/dbraw/zinc/95/89/71/1066958971.db2.gz LIOYWPSXIXHZKM-LPHOPBHVSA-N 0 0 481.954 4.600 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NCCC2CCC(F)(F)CC2)c1 ZINC001458035171 1066958955 /nfs/dbraw/zinc/95/89/55/1066958955.db2.gz SKCQWIVKWOWPHS-UHFFFAOYSA-N 0 0 454.514 4.880 20 0 JJADRN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492897176 1066959269 /nfs/dbraw/zinc/95/92/69/1066959269.db2.gz XHWVKCHFKZZJPJ-KDOFPFPSSA-N 0 0 482.398 4.505 20 0 JJADRN Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492869678 1066959402 /nfs/dbraw/zinc/95/94/02/1066959402.db2.gz AEIRUVNCPUAQBD-ICSRJNTNSA-N 0 0 483.966 4.961 20 0 JJADRN NC(=O)N1CCc2ccc(NC(=O)c3ccccc3Oc3cccc(Br)c3)cc21 ZINC001448817465 1066959418 /nfs/dbraw/zinc/95/94/18/1066959418.db2.gz ZLIGVCBPZUFAHX-UHFFFAOYSA-N 0 0 452.308 4.935 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1cccc(N(C)C(N)=O)c1 ZINC001448816488 1066959497 /nfs/dbraw/zinc/95/94/97/1066959497.db2.gz UUUFMZPJEUTOAT-UHFFFAOYSA-N 0 0 459.369 4.957 20 0 JJADRN Cc1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492863284 1066959475 /nfs/dbraw/zinc/95/94/75/1066959475.db2.gz SFSUZCGADQCJOQ-RBBKRZOGSA-N 0 0 455.603 4.813 20 0 JJADRN Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001492902258 1066959855 /nfs/dbraw/zinc/95/98/55/1066959855.db2.gz QTTRZOBAWTXLPO-UHFFFAOYSA-N 0 0 482.938 4.919 20 0 JJADRN O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001448822584 1066959816 /nfs/dbraw/zinc/95/98/16/1066959816.db2.gz IBHPRMGTJZXVMN-OAQYLSRUSA-N 0 0 455.942 4.883 20 0 JJADRN O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001448825578 1066959981 /nfs/dbraw/zinc/95/99/81/1066959981.db2.gz ZLPBOOMFHCMUOY-SFHVURJKSA-N 0 0 459.771 4.771 20 0 JJADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)(C)C2CCCC2)c1 ZINC001458044985 1066960055 /nfs/dbraw/zinc/96/00/55/1066960055.db2.gz WXMHPMOJLMYXTR-KRWDZBQOSA-N 0 0 458.599 4.912 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001492902831 1066959971 /nfs/dbraw/zinc/95/99/71/1066959971.db2.gz YHWXVKXJRJLESY-DYESRHJHSA-N 0 0 451.537 4.527 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001492908752 1066960304 /nfs/dbraw/zinc/96/03/04/1066960304.db2.gz OEFZPXQRDGHALL-UHFFFAOYSA-N 0 0 487.313 4.562 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1)OCc1ccccc1 ZINC001448826549 1066960321 /nfs/dbraw/zinc/96/03/21/1066960321.db2.gz KMNHXUVLBUCYLN-SFHVURJKSA-N 0 0 453.926 4.774 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1Br)C1(c2ccc3c(c2)OCCO3)CC1 ZINC001458046781 1066960679 /nfs/dbraw/zinc/96/06/79/1066960679.db2.gz FZRCHMCIBDNLJH-UHFFFAOYSA-N 0 0 458.230 4.789 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492944430 1066961145 /nfs/dbraw/zinc/96/11/45/1066961145.db2.gz UIDGXIZDSMZPKP-FOIQADDNSA-N 0 0 498.455 4.974 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1Cc1cc(Br)cs1 ZINC001492947444 1066961323 /nfs/dbraw/zinc/96/13/23/1066961323.db2.gz FJMKOWKEZSNPLK-KRWDZBQOSA-N 0 0 471.783 4.829 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492948344 1066961699 /nfs/dbraw/zinc/96/16/99/1066961699.db2.gz JKZMGDOOMGBEIU-IAGOWNOFSA-N 0 0 482.050 4.526 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)Cc1c[nH]c2cnc(Cl)cc12 ZINC001448840612 1066962185 /nfs/dbraw/zinc/96/21/85/1066962185.db2.gz AMFLLYGXSVHYPW-UHFFFAOYSA-N 0 0 456.974 4.702 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC001458053592 1066962183 /nfs/dbraw/zinc/96/21/83/1066962183.db2.gz DFDSOSQWIFVMLF-WMLDXEAASA-N 0 0 455.393 4.718 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCCN(C)c1ccccc1F ZINC001492951627 1066962265 /nfs/dbraw/zinc/96/22/65/1066962265.db2.gz ANCKJLYVXIMUSA-FQEVSTJZSA-N 0 0 472.634 4.584 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CCN1C(=O)OC(C)(C)C ZINC001448841925 1066962430 /nfs/dbraw/zinc/96/24/30/1066962430.db2.gz JUXQIVHOYGOGEV-LSDHHAIUSA-N 0 0 453.605 4.637 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448843308 1066962504 /nfs/dbraw/zinc/96/25/04/1066962504.db2.gz LVHXVWJWKZKGGC-NVXWUHKLSA-N 0 0 455.521 4.823 20 0 JJADRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(-c2ccco2)s1 ZINC001545695145 1066962627 /nfs/dbraw/zinc/96/26/27/1066962627.db2.gz HKVAEJOHCLBUMM-UHFFFAOYSA-N 0 0 456.520 4.878 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc12 ZINC001448844101 1066962901 /nfs/dbraw/zinc/96/29/01/1066962901.db2.gz MRONGTMOPAJOSP-DOTOQJQBSA-N 0 0 454.596 4.913 20 0 JJADRN O=C(Nc1sccc1C(=O)N1CCC(Oc2ncccc2F)CC1)c1ccccc1Cl ZINC001448843892 1066963029 /nfs/dbraw/zinc/96/30/29/1066963029.db2.gz MJXGBECVVQAZNR-UHFFFAOYSA-N 0 0 459.930 4.872 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001545695956 1066963026 /nfs/dbraw/zinc/96/30/26/1066963026.db2.gz HCKKWROGVFYFOF-WOJBJXKFSA-N 0 0 462.598 4.697 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)c1 ZINC001458056511 1066963073 /nfs/dbraw/zinc/96/30/73/1066963073.db2.gz CKAPCZDGXWWWHG-CABCVRRESA-N 0 0 452.979 4.658 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCCC[C@@H]3C(=O)OCc3ccccc3)[nH]c21 ZINC001448845844 1066963321 /nfs/dbraw/zinc/96/33/21/1066963321.db2.gz JIJWYYJGNXCZEE-HXUWFJFHSA-N 0 0 455.352 4.977 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448846860 1066963454 /nfs/dbraw/zinc/96/34/54/1066963454.db2.gz PWJISDCTATZGND-KURKYZTESA-N 0 0 455.640 4.562 20 0 JJADRN COc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc(OC)c1Br ZINC001458057253 1066963525 /nfs/dbraw/zinc/96/35/25/1066963525.db2.gz RBUOCVPRSISTGH-UHFFFAOYSA-N 0 0 454.324 4.634 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCCCC1)c1cccc(S(C)(=O)=O)c1 ZINC001458057101 1066963544 /nfs/dbraw/zinc/96/35/44/1066963544.db2.gz ZOLMRHDNBLHZHQ-UHFFFAOYSA-N 0 0 450.398 4.718 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458058349 1066964108 /nfs/dbraw/zinc/96/41/08/1066964108.db2.gz KMNKQXXKCQTNSF-TUNNFDKTSA-N 0 0 458.647 4.573 20 0 JJADRN O=C(NCCc1csc(-c2ccccc2)n1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001545700114 1066964295 /nfs/dbraw/zinc/96/42/95/1066964295.db2.gz KMMKPPSTYWZEBG-UHFFFAOYSA-N 0 0 458.374 4.729 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001545701534 1066964342 /nfs/dbraw/zinc/96/43/42/1066964342.db2.gz LWMNXKRTTNQMAD-HNNXBMFYSA-N 0 0 457.516 4.576 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458060220 1066964376 /nfs/dbraw/zinc/96/43/76/1066964376.db2.gz QYBAZPSQMFLAIQ-PZJWPPBQSA-N 0 0 458.647 4.573 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001448853122 1066964449 /nfs/dbraw/zinc/96/44/49/1066964449.db2.gz RWAMCJYXWGHFFR-HNNXBMFYSA-N 0 0 458.527 4.730 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001448861900 1066964768 /nfs/dbraw/zinc/96/47/68/1066964768.db2.gz DCNOBCLGWGVQRH-AVRDEDQJSA-N 0 0 458.002 4.939 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3c(OC)ccc(F)c3OC)C2)n1 ZINC001448857310 1066964831 /nfs/dbraw/zinc/96/48/31/1066964831.db2.gz LLBRJZKVCMWLAM-HNNXBMFYSA-N 0 0 456.539 4.995 20 0 JJADRN COc1cc(C)nc(Sc2nc3ccccc3c(=O)n2-c2cc(C)c(Cl)cc2OC)n1 ZINC001458062000 1066964911 /nfs/dbraw/zinc/96/49/11/1066964911.db2.gz RBPMSYCCJKGVAG-UHFFFAOYSA-N 0 0 454.939 4.614 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)cnc1Sc1nc(N)nc(Cl)c1N ZINC001458062846 1066965014 /nfs/dbraw/zinc/96/50/14/1066965014.db2.gz UDNCQZOXIYPRSA-UHFFFAOYSA-N 0 0 453.797 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c(F)cccc1OC(F)F)Cc1ccccc1 ZINC001448863915 1066965241 /nfs/dbraw/zinc/96/52/41/1066965241.db2.gz YCRQNONEOJUSMR-INIZCTEOSA-N 0 0 452.473 4.569 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F ZINC001448863835 1066965305 /nfs/dbraw/zinc/96/53/05/1066965305.db2.gz FSRPOSPRCQEZFU-HTAPYJJXSA-N 0 0 459.537 4.563 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cc2ccccc2o1 ZINC001545703555 1066965697 /nfs/dbraw/zinc/96/56/97/1066965697.db2.gz IKJRBXVMBRTLAA-QGZVFWFLSA-N 0 0 451.596 4.618 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001545703745 1066965708 /nfs/dbraw/zinc/96/57/08/1066965708.db2.gz LXASXAYJYDVJLS-HOTGVXAUSA-N 0 0 461.582 4.711 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001545704332 1066965935 /nfs/dbraw/zinc/96/59/35/1066965935.db2.gz XEEIVEZICOOZHO-CTNGQTDRSA-N 0 0 495.697 4.533 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001545704248 1066965953 /nfs/dbraw/zinc/96/59/53/1066965953.db2.gz VGHIRZBIJAWRQA-NRFANRHFSA-N 0 0 466.674 4.705 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001545703810 1066965974 /nfs/dbraw/zinc/96/59/74/1066965974.db2.gz MSXFFHSOFSLZHK-FQEVSTJZSA-N 0 0 493.677 4.928 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001545704355 1066966023 /nfs/dbraw/zinc/96/60/23/1066966023.db2.gz XMUVHJXSPRIREB-SKCUWOTOSA-N 0 0 479.669 4.703 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c(OC(C)(C)C)c1 ZINC001545705028 1066966358 /nfs/dbraw/zinc/96/63/58/1066966358.db2.gz PKNDTLNKIHJYAT-LJQANCHMSA-N 0 0 459.384 4.604 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)nc1C(C)C ZINC001458069444 1066966443 /nfs/dbraw/zinc/96/64/43/1066966443.db2.gz SOEWFCQFFUTEAU-UHFFFAOYSA-N 0 0 456.543 4.899 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)C(C)(C)Oc1ccc(OC)cc1 ZINC001458068998 1066966605 /nfs/dbraw/zinc/96/66/05/1066966605.db2.gz LNJINKBKRWZRCB-UHFFFAOYSA-N 0 0 451.317 4.822 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 ZINC001448884130 1066966851 /nfs/dbraw/zinc/96/68/51/1066966851.db2.gz DDOPMMVYUHLRHC-LMNJBCLMSA-N 0 0 459.384 4.673 20 0 JJADRN CCOc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc(Cl)c1O ZINC001448882479 1066966900 /nfs/dbraw/zinc/96/69/00/1066966900.db2.gz BJSOIKKOTOJYGS-INIZCTEOSA-N 0 0 453.764 4.924 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1ccco1 ZINC001545705631 1066966869 /nfs/dbraw/zinc/96/68/69/1066966869.db2.gz DFYZXHVCKNJSBF-UNMCSNQZSA-N 0 0 465.598 4.713 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)CCO1 ZINC001448882099 1066966924 /nfs/dbraw/zinc/96/69/24/1066966924.db2.gz ACQRUYWGJCZBRY-WOJBJXKFSA-N 0 0 450.348 4.982 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458071213 1066966930 /nfs/dbraw/zinc/96/69/30/1066966930.db2.gz BZXUFILXQYCBBE-RPBOFIJWSA-N 0 0 453.546 4.637 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CSc4ccc(Br)cc43)C2=O)cc1 ZINC001448885037 1066967151 /nfs/dbraw/zinc/96/71/51/1066967151.db2.gz KIWRORCWNYHQIQ-MJGOQNOKSA-N 0 0 459.409 4.889 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001448886480 1066967160 /nfs/dbraw/zinc/96/71/60/1066967160.db2.gz GYRXKTRPKMGQAD-SFHVURJKSA-N 0 0 455.908 4.920 20 0 JJADRN Cc1ccccc1C1(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)CCOCC1 ZINC001448889319 1066967194 /nfs/dbraw/zinc/96/71/94/1066967194.db2.gz JQJBDXQJETYATA-OAQYLSRUSA-N 0 0 457.412 4.909 20 0 JJADRN O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448890891 1066967254 /nfs/dbraw/zinc/96/72/54/1066967254.db2.gz LDASOSKZRWNWLQ-CRAIPNDOSA-N 0 0 458.183 4.892 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001458071570 1066967134 /nfs/dbraw/zinc/96/71/34/1066967134.db2.gz WVWUYCDZBQQNGG-OAQYLSRUSA-N 0 0 451.375 4.680 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001545705920 1066967236 /nfs/dbraw/zinc/96/72/36/1066967236.db2.gz IVHDVBQBMVYULF-FDFHNCONSA-N 0 0 453.631 4.548 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001448885136 1066967278 /nfs/dbraw/zinc/96/72/78/1066967278.db2.gz KTUAWURORNFBHV-GOSISDBHSA-N 0 0 457.349 4.711 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)C1 ZINC001448892401 1066967538 /nfs/dbraw/zinc/96/75/38/1066967538.db2.gz VURVTAYFKJYPIU-FRQCXROJSA-N 0 0 451.405 4.610 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001545706168 1066967570 /nfs/dbraw/zinc/96/75/70/1066967570.db2.gz NFIMAYWMUIAIBP-VAXXYWNWSA-N 0 0 492.495 4.778 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cc2)C1 ZINC001458073557 1066967651 /nfs/dbraw/zinc/96/76/51/1066967651.db2.gz DSTIQEAXHIKQBX-GOSISDBHSA-N 0 0 459.011 4.690 20 0 JJADRN COc1ccc(-c2ocnc2C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448895094 1066967891 /nfs/dbraw/zinc/96/78/91/1066967891.db2.gz OXPRSPVVRKZFQZ-SFHVURJKSA-N 0 0 456.340 4.829 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC001458076091 1066968067 /nfs/dbraw/zinc/96/80/67/1066968067.db2.gz KVCLAVUHPQYKDP-UHFFFAOYSA-N 0 0 459.291 4.686 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)n3)c2)ccn1 ZINC001458075080 1066968086 /nfs/dbraw/zinc/96/80/86/1066968086.db2.gz ZGFVMOMHIRZOAL-UHFFFAOYSA-N 0 0 456.502 4.564 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001545706602 1066968401 /nfs/dbraw/zinc/96/84/01/1066968401.db2.gz VKEZLFXZKVOHIG-GOSISDBHSA-N 0 0 481.563 4.557 20 0 JJADRN CCCC[C@@](C)(NC(=O)COCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001448899039 1066968319 /nfs/dbraw/zinc/96/83/19/1066968319.db2.gz GFGGVGXJPQEQKR-OAQYLSRUSA-N 0 0 457.409 4.512 20 0 JJADRN CC(C)C[C@@]1(CO)CCCN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001448901695 1066968331 /nfs/dbraw/zinc/96/83/31/1066968331.db2.gz DANXEHPOXJGWEJ-GOSISDBHSA-N 0 0 459.178 4.971 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)nnc1C(C)(C)C ZINC001545708022 1066968640 /nfs/dbraw/zinc/96/86/40/1066968640.db2.gz BISJXMYNMLNFRP-GOSISDBHSA-N 0 0 498.672 4.790 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001545708086 1066968798 /nfs/dbraw/zinc/96/87/98/1066968798.db2.gz CDWFLWBAAUWXSJ-AMHTUMDSSA-N 0 0 488.076 4.718 20 0 JJADRN COc1c(Br)cccc1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC001458078628 1066968743 /nfs/dbraw/zinc/96/87/43/1066968743.db2.gz SVPDFIQGGWMTGC-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC001458078572 1066968827 /nfs/dbraw/zinc/96/88/27/1066968827.db2.gz ZUGXDZXNRIESHZ-JOCHJYFZSA-N 0 0 451.885 4.771 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC(C)C)C1CCCC1 ZINC001545708235 1066969010 /nfs/dbraw/zinc/96/90/10/1066969010.db2.gz FKOTZBZYZLGEQV-XKCSPQBFSA-N 0 0 461.695 4.907 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001545708287 1066969040 /nfs/dbraw/zinc/96/90/40/1066969040.db2.gz GDXAVKCSQJLFLJ-SNYIIPAISA-N 0 0 485.648 4.810 20 0 JJADRN C[C@@H]1OCC[C@]12CN(C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C[C@@H](C)O2 ZINC001448915419 1066969164 /nfs/dbraw/zinc/96/91/64/1066969164.db2.gz CBLZTEPZLCWMNG-JMJIWTKESA-N 0 0 450.362 4.908 20 0 JJADRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001448914675 1066969201 /nfs/dbraw/zinc/96/92/01/1066969201.db2.gz WXWDASXCFJNYRW-INIZCTEOSA-N 0 0 459.587 4.531 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001545709264 1066969458 /nfs/dbraw/zinc/96/94/58/1066969458.db2.gz YTXDPWIBGLDVIE-KIZRIRGWSA-N 0 0 498.672 4.551 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001545709007 1066969497 /nfs/dbraw/zinc/96/94/97/1066969497.db2.gz UEERQIVAKUBYGM-LXGFNABISA-N 0 0 461.676 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001448919128 1066969753 /nfs/dbraw/zinc/96/97/53/1066969753.db2.gz HQPKWQUNQDBEPW-RDJZCZTQSA-N 0 0 456.436 4.890 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)cc1OC ZINC001458080413 1066969650 /nfs/dbraw/zinc/96/96/50/1066969650.db2.gz MAJDNSXMHUJKFX-SFHVURJKSA-N 0 0 459.608 4.572 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458080245 1066969678 /nfs/dbraw/zinc/96/96/78/1066969678.db2.gz YOUAWOVIIOWRKL-FDFHNCONSA-N 0 0 453.384 4.563 20 0 JJADRN CCc1c(NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)cnn1-c1ccc(Cl)cc1 ZINC001448921257 1066970047 /nfs/dbraw/zinc/97/00/47/1066970047.db2.gz FDCAQQGDNSRSSC-MRXNPFEDSA-N 0 0 453.008 4.673 20 0 JJADRN Cc1cc(C(F)(F)F)nc(Sc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)n1 ZINC001458083480 1066970174 /nfs/dbraw/zinc/97/01/74/1066970174.db2.gz HFOSZTWJDCRVAH-STQMWFEESA-N 0 0 452.506 4.670 20 0 JJADRN CC(C)NS(=O)(=O)Cc1ccc(CNc2nc(Cl)c(C(F)(F)F)cc2Cl)cc1 ZINC001458086352 1066970616 /nfs/dbraw/zinc/97/06/16/1066970616.db2.gz WPGSSFYDFUCHLB-UHFFFAOYSA-N 0 0 456.317 4.847 20 0 JJADRN O=C(Cc1cccc(O)c1)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001448929474 1066970873 /nfs/dbraw/zinc/97/08/73/1066970873.db2.gz FMMWQPAUQZYQMV-HXUWFJFHSA-N 0 0 450.398 4.500 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001545716562 1066971075 /nfs/dbraw/zinc/97/10/75/1066971075.db2.gz UDNFXVFUIAYPGT-JWQCQUIFSA-N 0 0 456.542 4.612 20 0 JJADRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1sccc1S(=O)(=O)C(F)F ZINC001545716737 1066971338 /nfs/dbraw/zinc/97/13/38/1066971338.db2.gz YJUXHFTYBJZZCJ-KRWDZBQOSA-N 0 0 451.516 4.663 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001545716564 1066971347 /nfs/dbraw/zinc/97/13/47/1066971347.db2.gz UDNFXVFUIAYPGT-RPBOFIJWSA-N 0 0 456.542 4.612 20 0 JJADRN O=C([C@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001448933631 1066971389 /nfs/dbraw/zinc/97/13/89/1066971389.db2.gz NMBHRQLRBIYWKM-IRXDYDNUSA-N 0 0 450.423 4.950 20 0 JJADRN CS(=O)(=O)C[C@H](C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001448930069 1066971543 /nfs/dbraw/zinc/97/15/43/1066971543.db2.gz IONNGDXKNRRJSM-SFTDATJTSA-N 0 0 453.526 4.978 20 0 JJADRN O=C(c1conc1C1CC1)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001448934302 1066971804 /nfs/dbraw/zinc/97/18/04/1066971804.db2.gz NDTXNAYSWXOMIW-QGZVFWFLSA-N 0 0 451.386 4.731 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1 ZINC001545716803 1066971847 /nfs/dbraw/zinc/97/18/47/1066971847.db2.gz ZTGWMHBZXQUDFB-FTJBHMTQSA-N 0 0 458.558 4.605 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2[C@@H](O)c2ccccn2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001448935213 1066971897 /nfs/dbraw/zinc/97/18/97/1066971897.db2.gz HQYCELGDQRQENT-JOCHJYFZSA-N 0 0 452.436 4.929 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)cc2)c(C)c1Cl ZINC001448935875 1066971947 /nfs/dbraw/zinc/97/19/47/1066971947.db2.gz KSCIZKIJZDCKNP-QGZVFWFLSA-N 0 0 453.848 4.505 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCCO[C@H]1CCCCO1 ZINC001448939830 1066972138 /nfs/dbraw/zinc/97/21/38/1066972138.db2.gz PZUSYEGKSUJWKK-DEOSSOPVSA-N 0 0 453.970 4.785 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@H]1CCC2(C1)OCCO2)c1ccccc1 ZINC001545717926 1066972130 /nfs/dbraw/zinc/97/21/30/1066972130.db2.gz USXPDXCQECZLSG-JAXLGGSGSA-N 0 0 458.672 4.941 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@H]1CCC2(C1)OCCO2)c1ccccc1 ZINC001545717928 1066972140 /nfs/dbraw/zinc/97/21/40/1066972140.db2.gz USXPDXCQECZLSG-RZUBCFFCSA-N 0 0 458.672 4.941 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)s1 ZINC001448939715 1066972222 /nfs/dbraw/zinc/97/22/22/1066972222.db2.gz XXUHJCJSQLDPAA-KRWDZBQOSA-N 0 0 452.580 4.837 20 0 JJADRN O=C(NC[C@@H](CCO)c1ccccc1)c1ccccc1Sc1ccc(Br)cn1 ZINC001545718475 1066972751 /nfs/dbraw/zinc/97/27/51/1066972751.db2.gz IHXHXAZAUXSEDB-QGZVFWFLSA-N 0 0 457.393 4.891 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545719568 1066973023 /nfs/dbraw/zinc/97/30/23/1066973023.db2.gz JBGQPPDSQRGWFJ-AZUAARDMSA-N 0 0 453.656 4.678 20 0 JJADRN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961366 1066973094 /nfs/dbraw/zinc/97/30/94/1066973094.db2.gz BYZAEFFDEQKJAR-PGRDOPGGSA-N 0 0 456.514 4.832 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545719398 1066973141 /nfs/dbraw/zinc/97/31/41/1066973141.db2.gz GHEFFIXTOYUNFK-MTFMMBMASA-N 0 0 465.564 4.932 20 0 JJADRN CC(C)c1c(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cnn1-c1ccccc1 ZINC001448959692 1066973250 /nfs/dbraw/zinc/97/32/50/1066973250.db2.gz BALLACIETQDKTE-NQIIRXRSSA-N 0 0 455.356 4.870 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)OC)c1ccccc1 ZINC001545720274 1066974264 /nfs/dbraw/zinc/97/42/64/1066974264.db2.gz UGVBMLDNUMYOBC-DENIHFKCSA-N 0 0 471.646 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)on2)CC1 ZINC001448974072 1066974414 /nfs/dbraw/zinc/97/44/14/1066974414.db2.gz WOJLFQLLTKOZAT-ICSRJNTNSA-N 0 0 457.546 4.994 20 0 JJADRN CCC(C)(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001448969250 1066974579 /nfs/dbraw/zinc/97/45/79/1066974579.db2.gz NOPNSLLKCOIVNS-UHFFFAOYSA-N 0 0 458.502 4.580 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Cc2ccc(OC)cc2)CCO1 ZINC001546097462 1066975104 /nfs/dbraw/zinc/97/51/04/1066975104.db2.gz KWLSSPLRNQACTG-DFBJGRDBSA-N 0 0 454.640 4.823 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2ccc(Oc3ccccc3Cl)cc2)cc(OC)c1 ZINC001545720971 1066975275 /nfs/dbraw/zinc/97/52/75/1066975275.db2.gz LAIBWSDZGDYURN-SFHVURJKSA-N 0 0 455.938 4.731 20 0 JJADRN O=C(c1cc2c([nH]1)c(Cl)ccc2Br)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001448984849 1066975274 /nfs/dbraw/zinc/97/52/74/1066975274.db2.gz AAKMIOMSLFSAGO-LLVKDONJSA-N 0 0 452.711 4.802 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001458100776 1066975398 /nfs/dbraw/zinc/97/53/98/1066975398.db2.gz CIETWSJHLUBPGJ-INIZCTEOSA-N 0 0 459.359 4.569 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2Cc2cc(Br)ccc2OC)CCO1 ZINC001546097006 1066975430 /nfs/dbraw/zinc/97/54/30/1066975430.db2.gz ADBOHAXBKRMKAS-QHCPKHFHSA-N 0 0 477.447 4.836 20 0 JJADRN COc1cc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)cc(NC(C)=O)c1OC ZINC001458101355 1066975462 /nfs/dbraw/zinc/97/54/62/1066975462.db2.gz DPLWHXXJGBEDHF-QYBDOPJKSA-N 0 0 458.558 4.881 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001448981121 1066975482 /nfs/dbraw/zinc/97/54/82/1066975482.db2.gz GFAQAPYWRLTALM-KRWDZBQOSA-N 0 0 452.530 4.630 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)C2(c3ccc(C(C)C)cc3)CCCCC2)cc(OC)c1 ZINC001545721154 1066975580 /nfs/dbraw/zinc/97/55/80/1066975580.db2.gz PVUOKYHNSUIIJL-JOCHJYFZSA-N 0 0 453.623 4.997 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001448991935 1066975871 /nfs/dbraw/zinc/97/58/71/1066975871.db2.gz ZWIVDVVYCOWHBR-UHFFFAOYSA-N 0 0 454.785 4.742 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545721644 1066976060 /nfs/dbraw/zinc/97/60/60/1066976060.db2.gz DIPTVAKALUUOEK-XSJBNIOMSA-N 0 0 482.698 4.917 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001546010910 1066976081 /nfs/dbraw/zinc/97/60/81/1066976081.db2.gz UZNPGKRVVHUCLD-JTHBVZDNSA-N 0 0 450.631 4.585 20 0 JJADRN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1c[nH]c2ncc(Br)cc12 ZINC001448997817 1066976175 /nfs/dbraw/zinc/97/61/75/1066976175.db2.gz HSJXCQRSCNTNSF-UHFFFAOYSA-N 0 0 452.696 4.889 20 0 JJADRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458102863 1066976216 /nfs/dbraw/zinc/97/62/16/1066976216.db2.gz UYESPGIQGAHTAV-UHFFFAOYSA-N 0 0 455.396 4.968 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001458102895 1066976241 /nfs/dbraw/zinc/97/62/41/1066976241.db2.gz OFWFTNQNHAXJIT-GOEBONIOSA-N 0 0 456.377 4.702 20 0 JJADRN CCC(=O)c1cccc(NC(=O)c2ccc(Br)cc2I)c1 ZINC001458102151 1066976293 /nfs/dbraw/zinc/97/62/93/1066976293.db2.gz NFFHIFHMQLUHOJ-UHFFFAOYSA-N 0 0 458.093 4.899 20 0 JJADRN C[C@H]1[C@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001458103798 1066976630 /nfs/dbraw/zinc/97/66/30/1066976630.db2.gz IEZRWNVGNCHINH-LAUBAEHRSA-N 0 0 458.549 4.880 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)c2cc(F)cc(I)c2N)cc1 ZINC001449002658 1066976580 /nfs/dbraw/zinc/97/65/80/1066976580.db2.gz VCONJBSHYJMHHJ-UHFFFAOYSA-N 0 0 456.299 4.714 20 0 JJADRN COCCCC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)c1ccccc1 ZINC001449005892 1066976662 /nfs/dbraw/zinc/97/66/62/1066976662.db2.gz ZDKQEDYKFYXXEW-VQTJNVASSA-N 0 0 456.587 4.531 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001545722051 1066976903 /nfs/dbraw/zinc/97/69/03/1066976903.db2.gz MIFOSKQENXBCMZ-QFBILLFUSA-N 0 0 479.071 4.606 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCCC1 ZINC001449010872 1066976972 /nfs/dbraw/zinc/97/69/72/1066976972.db2.gz KHGHCPBLFIBACB-WMLDXEAASA-N 0 0 455.368 4.645 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(CC)c2)n1Cc1cccc(Br)n1)c1ccccc1 ZINC001545722164 1066977247 /nfs/dbraw/zinc/97/72/47/1066977247.db2.gz PKTMXOQIISZFNB-OAQYLSRUSA-N 0 0 494.441 4.879 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)c2N1 ZINC001449015342 1066977278 /nfs/dbraw/zinc/97/72/78/1066977278.db2.gz OMLZWFOTSQQRII-JMCQJSRRSA-N 0 0 460.844 4.754 20 0 JJADRN COc1ccc(Oc2cc(CNc3ccc(F)cc3S(=O)(=O)C(F)(F)F)ccn2)cc1 ZINC001458105771 1066977335 /nfs/dbraw/zinc/97/73/35/1066977335.db2.gz NCGPCRMHNLVMDL-UHFFFAOYSA-N 0 0 456.417 4.927 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)cc1F)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458106288 1066977388 /nfs/dbraw/zinc/97/73/88/1066977388.db2.gz QFCJRGCAEPSZRP-QRQCRPRQSA-N 0 0 450.348 4.572 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001458108234 1066977688 /nfs/dbraw/zinc/97/76/88/1066977688.db2.gz VWXQZMHFILAYEU-UHFFFAOYSA-N 0 0 457.904 4.902 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458107704 1066977779 /nfs/dbraw/zinc/97/77/79/1066977779.db2.gz UDGLEFSYHBEUCN-BTYIYWSLSA-N 0 0 450.348 4.952 20 0 JJADRN COc1ccc(CCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1Br ZINC001458107796 1066977838 /nfs/dbraw/zinc/97/78/38/1066977838.db2.gz VAJRLVPPOGAHMK-MRXNPFEDSA-N 0 0 456.384 4.632 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H]1CC[C@@H](O)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001449024696 1066977805 /nfs/dbraw/zinc/97/78/05/1066977805.db2.gz VLWNJQILFDFSMR-SUMWQHHRSA-N 0 0 453.391 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC001449022180 1066977885 /nfs/dbraw/zinc/97/78/85/1066977885.db2.gz YMVBCROZLZGKEQ-MAUKXSAKSA-N 0 0 455.368 4.598 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001458108335 1066978051 /nfs/dbraw/zinc/97/80/51/1066978051.db2.gz DBVLTPBMHULRQR-UHFFFAOYSA-N 0 0 459.967 4.662 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cnc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458109406 1066978147 /nfs/dbraw/zinc/97/81/47/1066978147.db2.gz WMZGHMQTILMVOC-SCLBCKFNSA-N 0 0 453.764 4.553 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1sc(NC(=O)c3cccc(F)c3)cc1C)O[C@@H](C)C2 ZINC001458109107 1066978233 /nfs/dbraw/zinc/97/82/33/1066978233.db2.gz VIUSQJSGJSARQJ-AWEZNQCLSA-N 0 0 454.523 4.710 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545722433 1066978214 /nfs/dbraw/zinc/97/82/14/1066978214.db2.gz UNHLQJUWIFRUSU-DEOSSOPVSA-N 0 0 473.625 4.729 20 0 JJADRN CC(C)CCn1ncc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C(C)C ZINC001449033558 1066978302 /nfs/dbraw/zinc/97/83/02/1066978302.db2.gz QAZIVXWQQQSIEJ-SFHVURJKSA-N 0 0 459.978 4.550 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1C[C@H]1CCOC[C@H]1OC)c1ccccc1 ZINC001545722476 1066978325 /nfs/dbraw/zinc/97/83/25/1066978325.db2.gz VGLBTEGMJAKJLD-YMPZKCBVSA-N 0 0 454.640 4.878 20 0 JJADRN O=C(NCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc21)c1ccc(O)cc1 ZINC001458109783 1066978536 /nfs/dbraw/zinc/97/85/36/1066978536.db2.gz VNIBVCDAVMCOFY-UHFFFAOYSA-N 0 0 452.436 4.863 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnccn2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545722712 1066978609 /nfs/dbraw/zinc/97/86/09/1066978609.db2.gz ZCNKMHBBCAPVMR-OAQYLSRUSA-N 0 0 497.525 4.631 20 0 JJADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449039100 1066978781 /nfs/dbraw/zinc/97/87/81/1066978781.db2.gz DZHSNQUXMQSBQK-SFHVURJKSA-N 0 0 458.521 4.599 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545722682 1066978794 /nfs/dbraw/zinc/97/87/94/1066978794.db2.gz YTNAYWFTZLHFMV-OAQYLSRUSA-N 0 0 495.578 4.851 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545722681 1066978886 /nfs/dbraw/zinc/97/88/86/1066978886.db2.gz YTNAYWFTZLHFMV-NRFANRHFSA-N 0 0 495.578 4.851 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1OC ZINC001449041058 1066978968 /nfs/dbraw/zinc/97/89/68/1066978968.db2.gz IXANRGXMFDUVGS-UHFFFAOYSA-N 0 0 457.876 4.890 20 0 JJADRN O=C(c1ccccc1NCc1cccnc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449045480 1066979167 /nfs/dbraw/zinc/97/91/67/1066979167.db2.gz QITUGLNLMMKYII-UHFFFAOYSA-N 0 0 455.480 4.836 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC001449045464 1066979178 /nfs/dbraw/zinc/97/91/78/1066979178.db2.gz QCAPWZKXNUCSIX-UHFFFAOYSA-N 0 0 451.748 4.630 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCn1nc(C)cc1C)c1ccccc1 ZINC001545723657 1066979179 /nfs/dbraw/zinc/97/91/79/1066979179.db2.gz CQVUXAFNSFINLF-NRFANRHFSA-N 0 0 481.048 4.747 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCn1nc(C)cc1C)c1ccccc1 ZINC001545723658 1066979208 /nfs/dbraw/zinc/97/92/08/1066979208.db2.gz CQVUXAFNSFINLF-OAQYLSRUSA-N 0 0 481.048 4.747 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC001458112784 1066979324 /nfs/dbraw/zinc/97/93/24/1066979324.db2.gz ULAPMFHIRGVZFY-OYRHEFFESA-N 0 0 451.611 4.809 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CC(F)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545723719 1066979475 /nfs/dbraw/zinc/97/94/75/1066979475.db2.gz DTWTWMOUCNYNFL-AXIYNFMDSA-N 0 0 459.610 4.918 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccnc(SC)c1)c1ccccc1 ZINC001545724003 1066980017 /nfs/dbraw/zinc/98/00/17/1066980017.db2.gz KKBADQTYXMIADZ-JOCHJYFZSA-N 0 0 481.666 4.821 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)[nH]n1 ZINC001449049920 1066980011 /nfs/dbraw/zinc/98/00/11/1066980011.db2.gz YLLZGYFQPRAYAM-UHFFFAOYSA-N 0 0 458.360 4.540 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c(C)c1C ZINC001449060475 1066980403 /nfs/dbraw/zinc/98/04/03/1066980403.db2.gz DLBJNEMZGBWVAK-ZEQRLZLVSA-N 0 0 456.652 4.740 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001458115827 1066980295 /nfs/dbraw/zinc/98/02/95/1066980295.db2.gz CFQJIRDSUSMFOT-SXWKCWPCSA-N 0 0 450.583 4.822 20 0 JJADRN COc1ccc(SCCC(=O)NCCc2cc(Cl)ccc2Br)cc1OC ZINC001458117425 1066980635 /nfs/dbraw/zinc/98/06/35/1066980635.db2.gz LIHPRWYKEXGALD-UHFFFAOYSA-N 0 0 458.805 4.961 20 0 JJADRN COc1ccc(CCCN(C)c2nc(C(F)(F)F)ccc2I)cc1 ZINC001458118342 1066980668 /nfs/dbraw/zinc/98/06/68/1066980668.db2.gz DTYTUFGQVRQUOG-UHFFFAOYSA-N 0 0 450.242 4.783 20 0 JJADRN COCCOc1ccc(Nc2ncc(C(F)(F)F)cc2I)c(C)c1 ZINC001458117921 1066980752 /nfs/dbraw/zinc/98/07/52/1066980752.db2.gz VGWVVMPTGVKEPI-UHFFFAOYSA-N 0 0 452.214 4.782 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@]1(C)COCCO1)c1ccccc1 ZINC001545724426 1066980838 /nfs/dbraw/zinc/98/08/38/1066980838.db2.gz QBEFRRMRPZTRFG-JTSKRJEESA-N 0 0 495.571 4.737 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545724385 1066980925 /nfs/dbraw/zinc/98/09/25/1066980925.db2.gz PSBAOFZPFAWAIC-QPPBQGQZSA-N 0 0 494.709 4.947 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1Cc1cccnc1OCC(F)(F)F)c1ccccc1 ZINC001545724589 1066981091 /nfs/dbraw/zinc/98/10/91/1066981091.db2.gz SVMXXJOIILQFFP-FQEVSTJZSA-N 0 0 486.498 4.829 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)cc1Cl ZINC001458121698 1066981521 /nfs/dbraw/zinc/98/15/21/1066981521.db2.gz HCNAHINGTDAATH-UHFFFAOYSA-N 0 0 456.720 4.694 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3C(F)(F)F)sc2C1 ZINC001449082021 1066981703 /nfs/dbraw/zinc/98/17/03/1066981703.db2.gz KHNPYLGTQUYNTM-NSHDSACASA-N 0 0 459.465 4.935 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001458122944 1066981811 /nfs/dbraw/zinc/98/18/11/1066981811.db2.gz DMAZOFCJCKRXDI-QHCPKHFHSA-N 0 0 456.652 4.901 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc4c([nH]c(=O)cc4C(F)(F)F)o3)n2)cc1F ZINC001545724977 1066981952 /nfs/dbraw/zinc/98/19/52/1066981952.db2.gz BKVOSFKPIDTPGZ-SECBINFHSA-N 0 0 450.348 4.541 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545725653 1066982271 /nfs/dbraw/zinc/98/22/71/1066982271.db2.gz ADAAEIPIHCTFGL-HXUWFJFHSA-N 0 0 468.614 4.516 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2ccc(NCCc3ccccn3)cc2)c1 ZINC001449102424 1066982336 /nfs/dbraw/zinc/98/23/36/1066982336.db2.gz UYZKGZIRGSAVBH-UHFFFAOYSA-N 0 0 457.315 4.902 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)[nH]n1 ZINC001449102995 1066982386 /nfs/dbraw/zinc/98/23/86/1066982386.db2.gz AHTLWRXPSAHZGY-QHCPKHFHSA-N 0 0 459.468 4.626 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001545725694 1066982424 /nfs/dbraw/zinc/98/24/24/1066982424.db2.gz AUDVTUXZTODHQO-DHIUTWEWSA-N 0 0 483.657 4.835 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)/C(F)=C/c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001545725451 1066982507 /nfs/dbraw/zinc/98/25/07/1066982507.db2.gz UMBPYIHXEGJQSZ-MTJSOVHGSA-N 0 0 452.448 4.772 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726011 1066982831 /nfs/dbraw/zinc/98/28/31/1066982831.db2.gz HXHGPXQLCSTIQL-XZOQPEGZSA-N 0 0 488.698 4.573 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725974 1066982968 /nfs/dbraw/zinc/98/29/68/1066982968.db2.gz HFORPMRPGHNQAG-GBXCKJPGSA-N 0 0 494.684 4.776 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC001458126277 1066983556 /nfs/dbraw/zinc/98/35/56/1066983556.db2.gz YJELBXZUHZZSNN-UHFFFAOYSA-N 0 0 459.571 4.880 20 0 JJADRN O=C(Nc1ccc2c(cnn2C(F)F)c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001458127648 1066983563 /nfs/dbraw/zinc/98/35/63/1066983563.db2.gz AJNCYVJMHRVICD-SFHVURJKSA-N 0 0 455.292 4.750 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CCC[C@@]2(CCOC2)O1)c1ccccc1 ZINC001545726545 1066983492 /nfs/dbraw/zinc/98/34/92/1066983492.db2.gz RYZNMQPDKLRUHK-VIZSFHNOSA-N 0 0 466.548 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)[C@H]3COC[C@@H]3c3ccccc3)s2)CC1 ZINC001449119024 1066983697 /nfs/dbraw/zinc/98/36/97/1066983697.db2.gz NFMWONABSSFTRF-MOPGFXCFSA-N 0 0 457.596 4.626 20 0 JJADRN CNC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001458128777 1066983865 /nfs/dbraw/zinc/98/38/65/1066983865.db2.gz YMNFTFQPHGHTPP-LLVKDONJSA-N 0 0 459.262 4.525 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)NCC(F)(F)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001449121000 1066984056 /nfs/dbraw/zinc/98/40/56/1066984056.db2.gz JAZOGTUQQHCFDR-OAQYLSRUSA-N 0 0 458.892 4.728 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 ZINC001458129745 1066984236 /nfs/dbraw/zinc/98/42/36/1066984236.db2.gz RXEJFRJLISEPJS-UHFFFAOYSA-N 0 0 453.336 4.697 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545727830 1066984530 /nfs/dbraw/zinc/98/45/30/1066984530.db2.gz ADSHREDEZGSEME-REWPJTCUSA-N 0 0 495.672 4.835 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCc2cccc(Br)c2C1 ZINC001545727603 1066984579 /nfs/dbraw/zinc/98/45/79/1066984579.db2.gz UPHWGEQHBFXBPG-HTAPYJJXSA-N 0 0 451.405 4.807 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c(O[C@H]2CCOC2)c1 ZINC001545727449 1066984731 /nfs/dbraw/zinc/98/47/31/1066984731.db2.gz OWIARUDXJLHTPT-SFHVURJKSA-N 0 0 459.974 4.666 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1CCN1CCOCC1(C)C)c1ccccc1 ZINC001545727867 1066984825 /nfs/dbraw/zinc/98/48/25/1066984825.db2.gz AVDFCEFUEAVZAR-XUZZJYLKSA-N 0 0 453.675 4.946 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001449134048 1066985106 /nfs/dbraw/zinc/98/51/06/1066985106.db2.gz NMYIHOJLKJZQTA-HSZRJFAPSA-N 0 0 455.599 4.869 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545727928 1066985043 /nfs/dbraw/zinc/98/50/43/1066985043.db2.gz CATPVTPREJZADK-XKCSPQBFSA-N 0 0 486.707 4.774 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2ccc(Cl)s2)n1Cc1nncn1C)c1ccccc1 ZINC001545727929 1066985055 /nfs/dbraw/zinc/98/50/55/1066985055.db2.gz CBIPHLJARVPXOG-GOSISDBHSA-N 0 0 456.019 4.738 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545727926 1066985149 /nfs/dbraw/zinc/98/51/49/1066985149.db2.gz CATPVTPREJZADK-KJXAQDMKSA-N 0 0 486.707 4.774 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458136450 1066985430 /nfs/dbraw/zinc/98/54/30/1066985430.db2.gz SCYMUCRGZTUVHE-QFBILLFUSA-N 0 0 451.445 4.539 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)cn2)cc1 ZINC001449158442 1066986159 /nfs/dbraw/zinc/98/61/59/1066986159.db2.gz KHPHTUBPGNCRSC-SANMLTNESA-N 0 0 457.530 4.581 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)Cn3c(C)c(Br)c4ccccc43)cn2)cc1 ZINC001449160959 1066986199 /nfs/dbraw/zinc/98/61/99/1066986199.db2.gz NQLLOGMCQUAIJR-UHFFFAOYSA-N 0 0 453.340 4.604 20 0 JJADRN O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC001449163988 1066986617 /nfs/dbraw/zinc/98/66/17/1066986617.db2.gz WQDVWWZVPXOINY-UHFFFAOYSA-N 0 0 455.396 4.693 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)C[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 ZINC001449165198 1066986751 /nfs/dbraw/zinc/98/67/51/1066986751.db2.gz RVIPYKBTKJWGJK-SFHVURJKSA-N 0 0 456.587 4.552 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N(C)c1ccccc1N(C)C ZINC001458142534 1066986929 /nfs/dbraw/zinc/98/69/29/1066986929.db2.gz CLIDUXYJCFCOMB-INIZCTEOSA-N 0 0 450.364 4.979 20 0 JJADRN O=C(Nc1cc(F)c(Br)c(Cl)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001449168765 1066987084 /nfs/dbraw/zinc/98/70/84/1066987084.db2.gz OPFZHRUGYVVGPE-UHFFFAOYSA-N 0 0 452.667 4.655 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3ccncc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001449171278 1066987151 /nfs/dbraw/zinc/98/71/51/1066987151.db2.gz BRKFEBKQASPBCS-MSYCTHLASA-N 0 0 457.977 4.968 20 0 JJADRN CSCc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1F ZINC001545730397 1066987452 /nfs/dbraw/zinc/98/74/52/1066987452.db2.gz YRIWUZDKACESJD-LLVKDONJSA-N 0 0 450.333 4.992 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC001545730444 1066987463 /nfs/dbraw/zinc/98/74/63/1066987463.db2.gz ZVWYJFDPCHJWPB-NQIIRXRSSA-N 0 0 451.567 4.704 20 0 JJADRN O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001546011878 1066987423 /nfs/dbraw/zinc/98/74/23/1066987423.db2.gz WDWIZWZUJUSGMU-UHFFFAOYSA-N 0 0 450.739 4.681 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)O[C@H]1COc2ccccc21 ZINC001458144881 1066987533 /nfs/dbraw/zinc/98/75/33/1066987533.db2.gz BRKBDBLJSSFAOW-NRFANRHFSA-N 0 0 452.304 4.921 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC001545730443 1066987561 /nfs/dbraw/zinc/98/75/61/1066987561.db2.gz ZVWYJFDPCHJWPB-GHTZIAJQSA-N 0 0 451.567 4.704 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001449177504 1066988029 /nfs/dbraw/zinc/98/80/29/1066988029.db2.gz QBGBTACGMKXQAV-RBUKOAKNSA-N 0 0 455.640 4.612 20 0 JJADRN O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCCN(c2ccccc2Cl)CC1 ZINC001449180646 1066988440 /nfs/dbraw/zinc/98/84/40/1066988440.db2.gz WXQRDHASUUUBGO-UHFFFAOYSA-N 0 0 450.757 4.580 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@H](C)COc2ccccc2OC)CCO1 ZINC001546097503 1066988424 /nfs/dbraw/zinc/98/84/24/1066988424.db2.gz LQNZLDRXUNJWRH-FNZWTVRRSA-N 0 0 456.631 4.740 20 0 JJADRN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1sc2cc(Br)ccc2c1Cl ZINC001458150721 1066988602 /nfs/dbraw/zinc/98/86/02/1066988602.db2.gz YVZMOKUMFUOBGZ-LBPRGKRZSA-N 0 0 456.770 4.576 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCCCCSC)c1ccccc1 ZINC001545730758 1066988722 /nfs/dbraw/zinc/98/87/22/1066988722.db2.gz FPRGBBALVWAGFW-LFAGZIFBSA-N 0 0 458.672 4.738 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545730811 1066988814 /nfs/dbraw/zinc/98/88/14/1066988814.db2.gz GJNCDAMEDBTXML-ABSDTBQOSA-N 0 0 456.685 4.943 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203710 1066989370 /nfs/dbraw/zinc/98/93/70/1066989370.db2.gz MKXDREOJHJYXAC-HOYKHHGWSA-N 0 0 452.551 4.779 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731067 1066989530 /nfs/dbraw/zinc/98/95/30/1066989530.db2.gz JLHZLZSEZNBFCX-NRSPTQNISA-N 0 0 479.591 4.565 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)c1O ZINC001449210245 1066989638 /nfs/dbraw/zinc/98/96/38/1066989638.db2.gz BGGVSOJRGGQXAN-UHFFFAOYSA-N 0 0 453.907 4.999 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@@H](C)S1(=O)=O ZINC001449209560 1066989648 /nfs/dbraw/zinc/98/96/48/1066989648.db2.gz UZVQPJZFNJWBGB-XMCHAPAWSA-N 0 0 456.391 4.538 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731170 1066990034 /nfs/dbraw/zinc/99/00/34/1066990034.db2.gz KYIFGUJEVKVSPO-NHCUHLMSSA-N 0 0 470.017 4.809 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731165 1066990266 /nfs/dbraw/zinc/99/02/66/1066990266.db2.gz KXVWEJGJFZFAJU-GHTZIAJQSA-N 0 0 470.017 4.951 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154564 1066990336 /nfs/dbraw/zinc/99/03/36/1066990336.db2.gz OBFBFBCMAMOHJK-AOMKIAJQSA-N 0 0 454.521 4.696 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546012234 1066990813 /nfs/dbraw/zinc/99/08/13/1066990813.db2.gz FASBBCZKNMGNEN-QHAWAJNXSA-N 0 0 471.646 4.869 20 0 JJADRN O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccccc1CSC1=NCCS1 ZINC001449225060 1066990837 /nfs/dbraw/zinc/99/08/37/1066990837.db2.gz GHXHHDIMFALBIE-NRFANRHFSA-N 0 0 451.617 4.877 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546012231 1066990866 /nfs/dbraw/zinc/99/08/66/1066990866.db2.gz FASBBCZKNMGNEN-HBMCJLEFSA-N 0 0 471.646 4.869 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1NC(=O)NC(C)(C)C ZINC001449226005 1066990972 /nfs/dbraw/zinc/99/09/72/1066990972.db2.gz KLJVWSRKRWADRQ-FQEVSTJZSA-N 0 0 458.603 4.532 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545731485 1066991193 /nfs/dbraw/zinc/99/11/93/1066991193.db2.gz OWMCGAFTEBSYPJ-NYSBEXSLSA-N 0 0 477.531 4.824 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545731486 1066991203 /nfs/dbraw/zinc/99/12/03/1066991203.db2.gz OWMCGAFTEBSYPJ-QFIXIFRTSA-N 0 0 477.531 4.824 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1cnn(-c2ccccc2)c1Br ZINC001458156436 1066991134 /nfs/dbraw/zinc/99/11/34/1066991134.db2.gz FRHAMMXTOMEFNB-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN O=C(CCCC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001449227493 1066991224 /nfs/dbraw/zinc/99/12/24/1066991224.db2.gz UYWMSMCFRGWYPP-QGZVFWFLSA-N 0 0 455.382 4.960 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1)OC ZINC001546012264 1066991281 /nfs/dbraw/zinc/99/12/81/1066991281.db2.gz FKJKSYOMZQKMFG-MRXNPFEDSA-N 0 0 471.429 4.983 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1C[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC001545731798 1066991713 /nfs/dbraw/zinc/99/17/13/1066991713.db2.gz SMUZCUYDGDWVEK-HGIWEUDGSA-N 0 0 469.655 4.629 20 0 JJADRN O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001449232799 1066991726 /nfs/dbraw/zinc/99/17/26/1066991726.db2.gz MPCSDVBBJNUYOD-UHFFFAOYSA-N 0 0 452.869 4.964 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545731882 1066991980 /nfs/dbraw/zinc/99/19/80/1066991980.db2.gz UPWYEJYNZIYPRA-PGRDOPGGSA-N 0 0 484.588 4.847 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](N3CCOCC3)[C@@H](CC)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731836 1066991992 /nfs/dbraw/zinc/99/19/92/1066991992.db2.gz SXSNKABWKNVHRN-WWNPGLIZSA-N 0 0 471.715 4.509 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001449237043 1066992151 /nfs/dbraw/zinc/99/21/51/1066992151.db2.gz JDOAKZMKDWWKRG-LJQANCHMSA-N 0 0 450.391 4.570 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546097580 1066992183 /nfs/dbraw/zinc/99/21/83/1066992183.db2.gz MUADWNPHVKICJI-RRPNLBNLSA-N 0 0 454.659 4.790 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)nc1 ZINC001449245860 1066992596 /nfs/dbraw/zinc/99/25/96/1066992596.db2.gz VPDXBCWJMBQIMY-SFHVURJKSA-N 0 0 454.354 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449247206 1066992630 /nfs/dbraw/zinc/99/26/30/1066992630.db2.gz WBMIADHTMWSLDK-KXBFYZLASA-N 0 0 459.414 4.960 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)CC2)c1 ZINC001458160019 1066992690 /nfs/dbraw/zinc/99/26/90/1066992690.db2.gz BHSLEKYEIXGRGS-QHCPKHFHSA-N 0 0 456.428 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C2 ZINC001449245379 1066992783 /nfs/dbraw/zinc/99/27/83/1066992783.db2.gz TXQDOLXOENHQAY-PYGWLIJMSA-N 0 0 457.398 4.713 20 0 JJADRN COc1cccc(OCCN2CCN(C(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC001458160460 1066993026 /nfs/dbraw/zinc/99/30/26/1066993026.db2.gz KPIHJMLWGCVNNB-UHFFFAOYSA-N 0 0 458.602 4.863 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC001449252413 1066993234 /nfs/dbraw/zinc/99/32/34/1066993234.db2.gz SGAJLTMXFUNVJS-BHDDXSALSA-N 0 0 455.599 4.700 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545732197 1066993497 /nfs/dbraw/zinc/99/34/97/1066993497.db2.gz YYVJJMYVOQNVHY-ZMYBRWDISA-N 0 0 465.545 4.789 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545732175 1066993597 /nfs/dbraw/zinc/99/35/97/1066993597.db2.gz YRFMPMQLKCSGGF-LZQZEXGQSA-N 0 0 494.587 4.769 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458163820 1066993696 /nfs/dbraw/zinc/99/36/96/1066993696.db2.gz YQPJGYQXKKGXHU-SFHVURJKSA-N 0 0 455.769 4.967 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)C1 ZINC001545732831 1066994065 /nfs/dbraw/zinc/99/40/65/1066994065.db2.gz NBZJYWYWHGRMEG-KGLIPLIRSA-N 0 0 451.926 4.900 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1)OC ZINC001546012525 1066994206 /nfs/dbraw/zinc/99/42/06/1066994206.db2.gz KGEKBUJNDXNMAL-WIBUTAKZSA-N 0 0 469.413 4.593 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1cnn(C(F)F)c1 ZINC001458167543 1066994482 /nfs/dbraw/zinc/99/44/82/1066994482.db2.gz NKPBNGCMPQDHLZ-UHFFFAOYSA-N 0 0 457.178 4.801 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)Nc1cccnc1N1C(=O)O[C@H](C(F)(F)F)[C@H]1C ZINC001458169554 1066994745 /nfs/dbraw/zinc/99/47/45/1066994745.db2.gz JMBBJTKFBILKGH-CPUCHLNUSA-N 0 0 453.486 4.866 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)Nc1cccnc1N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C ZINC001458169559 1066994807 /nfs/dbraw/zinc/99/48/07/1066994807.db2.gz JMBBJTKFBILKGH-JKIFEVAISA-N 0 0 453.486 4.866 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001545733497 1066994774 /nfs/dbraw/zinc/99/47/74/1066994774.db2.gz CJXAQNPQDKMJIS-LJQANCHMSA-N 0 0 463.548 4.681 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(COC)CC2)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545733506 1066994784 /nfs/dbraw/zinc/99/47/84/1066994784.db2.gz CMTKVGRXVTVKLZ-NRFANRHFSA-N 0 0 468.001 4.730 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545733489 1066994932 /nfs/dbraw/zinc/99/49/32/1066994932.db2.gz CFXYLNJCNYJGSY-LJQANCHMSA-N 0 0 463.548 4.681 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545733597 1066995167 /nfs/dbraw/zinc/99/51/67/1066995167.db2.gz DYSSEKUHAXRPIM-NHCUHLMSSA-N 0 0 451.640 4.794 20 0 JJADRN CC[C@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545733545 1066995190 /nfs/dbraw/zinc/99/51/90/1066995190.db2.gz DDGPFCXAYRXPMW-NZQKXSOJSA-N 0 0 477.531 4.694 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC001546097703 1066995620 /nfs/dbraw/zinc/99/56/20/1066995620.db2.gz OLQBVUUPRVLTLI-WRWLIDTKSA-N 0 0 457.566 4.933 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)c3sc(-c4ccccc4C)nc3C)CC2)c1C ZINC001449292288 1066995826 /nfs/dbraw/zinc/99/58/26/1066995826.db2.gz DZJQQPUOIXMDTE-UHFFFAOYSA-N 0 0 452.580 4.586 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC001545733990 1066996236 /nfs/dbraw/zinc/99/62/36/1066996236.db2.gz LPOJHFSIHPJLAT-KAOXLYBCSA-N 0 0 468.642 4.661 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC1=CCCOC1)c1ccccc1 ZINC001545733987 1066996267 /nfs/dbraw/zinc/99/62/67/1066996267.db2.gz LMGPRJLIJGMXEQ-SQJMNOBHSA-N 0 0 479.669 4.544 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545733989 1066996346 /nfs/dbraw/zinc/99/63/46/1066996346.db2.gz LPOJHFSIHPJLAT-GPJHCHHRSA-N 0 0 468.642 4.661 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC001458173677 1066996343 /nfs/dbraw/zinc/99/63/43/1066996343.db2.gz JZDRWVPRHSCNOV-CKFHNAJUSA-N 0 0 451.445 4.574 20 0 JJADRN C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173422 1066996442 /nfs/dbraw/zinc/99/64/42/1066996442.db2.gz OZZYGBANLRBXRX-OZXSUGGESA-N 0 0 450.623 4.532 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1ccc3c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC3)CCO2 ZINC001449303054 1066996594 /nfs/dbraw/zinc/99/65/94/1066996594.db2.gz VEMGKIUOZBUFIQ-NRFANRHFSA-N 0 0 450.579 4.974 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC001545733991 1066996649 /nfs/dbraw/zinc/99/66/49/1066996649.db2.gz LPOJHFSIHPJLAT-MYDTUXCISA-N 0 0 468.642 4.661 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545734224 1066996658 /nfs/dbraw/zinc/99/66/58/1066996658.db2.gz OSMZHCNLTHXJMS-HSZRJFAPSA-N 0 0 469.699 4.800 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCCc1c[nH]nc1C)c1ccccc1 ZINC001545734089 1066996726 /nfs/dbraw/zinc/99/67/26/1066996726.db2.gz NFLYYFXLYCEQEL-VWLOTQADSA-N 0 0 491.684 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001449306503 1066996996 /nfs/dbraw/zinc/99/69/96/1066996996.db2.gz ZFAHLYAMUMRUQR-DYESRHJHSA-N 0 0 454.583 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001449306522 1066997022 /nfs/dbraw/zinc/99/70/22/1066997022.db2.gz ZFAHLYAMUMRUQR-UWJYYQICSA-N 0 0 454.583 4.818 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001546013014 1066997035 /nfs/dbraw/zinc/99/70/35/1066997035.db2.gz SMYYOPOSJQDTDN-LJQANCHMSA-N 0 0 476.021 4.970 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545734289 1066997051 /nfs/dbraw/zinc/99/70/51/1066997051.db2.gz PYBCWJWNCMZZDQ-QFIPXVFZSA-N 0 0 499.656 4.514 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)c1C ZINC001449306375 1066997183 /nfs/dbraw/zinc/99/71/83/1066997183.db2.gz YFXYYTHZSPISLM-DEOSSOPVSA-N 0 0 459.590 4.948 20 0 JJADRN Cc1cccc(NC(=O)NCC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449308039 1066997449 /nfs/dbraw/zinc/99/74/49/1066997449.db2.gz AJHNPKCUFPCALA-SFHVURJKSA-N 0 0 453.757 4.826 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001458176706 1066997651 /nfs/dbraw/zinc/99/76/51/1066997651.db2.gz VCOWSCJYASVAPS-SFHVURJKSA-N 0 0 451.567 4.830 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@]1(O)CCC[C@H]1C)c1ccccc1 ZINC001545734535 1066997723 /nfs/dbraw/zinc/99/77/23/1066997723.db2.gz VAWKGRHWSXQRGI-PWAGRJGVSA-N 0 0 478.559 4.719 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCN(c3cccc(Br)c3)CC2)cc1 ZINC001449309194 1066997960 /nfs/dbraw/zinc/99/79/60/1066997960.db2.gz NWELUKOBBQXUDY-JOCHJYFZSA-N 0 0 459.428 4.909 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545734788 1066997924 /nfs/dbraw/zinc/99/79/24/1066997924.db2.gz ZQSVYEBHBGLMPH-NFBKMPQASA-N 0 0 469.674 4.622 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N(CC1CCCCC1)c1ccccn1 ZINC001458178994 1066998238 /nfs/dbraw/zinc/99/82/38/1066998238.db2.gz BPBUHSWEGJKMRX-SFHVURJKSA-N 0 0 456.384 4.811 20 0 JJADRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001449311214 1066998418 /nfs/dbraw/zinc/99/84/18/1066998418.db2.gz AKERJHDQJFLYNO-UHFFFAOYSA-N 0 0 451.733 4.968 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545735432 1066998397 /nfs/dbraw/zinc/99/83/97/1066998397.db2.gz AEHMTVQWVBFHFA-RDPSFJRHSA-N 0 0 451.659 4.951 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H]2CC)n1C[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC001545735523 1066998427 /nfs/dbraw/zinc/99/84/27/1066998427.db2.gz CKOPNFXMLWOEIT-VHXCZSFDSA-N 0 0 453.675 4.802 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545735439 1066998484 /nfs/dbraw/zinc/99/84/84/1066998484.db2.gz AENTXKGOFWIIFD-FGZHOGPDSA-N 0 0 479.591 4.710 20 0 JJADRN COC(C)(C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001545734863 1066998533 /nfs/dbraw/zinc/99/85/33/1066998533.db2.gz BTASERKENRRJFJ-XMMPIXPASA-N 0 0 452.595 4.823 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545735441 1066998540 /nfs/dbraw/zinc/99/85/40/1066998540.db2.gz AENTXKGOFWIIFD-YADHBBJMSA-N 0 0 479.591 4.710 20 0 JJADRN Cc1nc(COc2cccc(C(=O)NCc3ccc(COC4CCOCC4)cc3)c2)cs1 ZINC001458180662 1066998560 /nfs/dbraw/zinc/99/85/60/1066998560.db2.gz CWBULVUYQQWTBH-UHFFFAOYSA-N 0 0 452.576 4.656 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2Cc2ccsc2Br)CCO1 ZINC001546097826 1066998658 /nfs/dbraw/zinc/99/86/58/1066998658.db2.gz QGPVVUSMIIFFMZ-LJQANCHMSA-N 0 0 482.473 4.511 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545735651 1066998841 /nfs/dbraw/zinc/99/88/41/1066998841.db2.gz DUZIIQOSUJBXKG-SXWKCWPCSA-N 0 0 453.631 4.781 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 ZINC001458182343 1066998967 /nfs/dbraw/zinc/99/89/67/1066998967.db2.gz KGOHFKLYMAHTOX-INIZCTEOSA-N 0 0 452.352 4.859 20 0 JJADRN Cn1ccc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c1-c1ccccc1 ZINC001449323649 1066999184 /nfs/dbraw/zinc/99/91/84/1066999184.db2.gz ZJCVSTRCSGBGEP-UHFFFAOYSA-N 0 0 453.340 4.587 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCCO[C@H]1CCOC1)c1ccccc1 ZINC001545735957 1066999217 /nfs/dbraw/zinc/99/92/17/1066999217.db2.gz JALSRYJXVWRKHO-SFTDATJTSA-N 0 0 489.458 4.895 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)OC ZINC001546013129 1066999631 /nfs/dbraw/zinc/99/96/31/1066999631.db2.gz VESUTTMQHLPKFF-RBBKRZOGSA-N 0 0 496.656 4.730 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(NCC[C@@H](C)c3ccc(OC)cc3)c2c1C ZINC001458185018 1066999721 /nfs/dbraw/zinc/99/97/21/1066999721.db2.gz KCCZQYPCOZNDBG-OAHLLOKOSA-N 0 0 456.612 4.852 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001545736245 1066999892 /nfs/dbraw/zinc/99/98/92/1066999892.db2.gz NGDVZNKFRSZYFB-QGZVFWFLSA-N 0 0 486.464 4.923 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N(Cc3ccccc3C(F)(F)F)CC3CC3)c(=O)[nH]c21 ZINC001449326843 1066999970 /nfs/dbraw/zinc/99/99/70/1066999970.db2.gz AKEUGJHNEQNQQQ-KTKRTIGZSA-N 0 0 458.484 4.776 20 0 JJADRN O=C(NCCOc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001458185594 1067000083 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CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC001449538657 1067013949 /nfs/dbraw/zinc/01/39/49/1067013949.db2.gz FVJCEXRVURKFJX-GOSISDBHSA-N 0 0 458.864 4.687 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCCc1cccc(C)n1)c1ccccc1 ZINC001545746359 1067014223 /nfs/dbraw/zinc/01/42/23/1067014223.db2.gz NQBRRQPDWWTZQC-BVAGGSTKSA-N 0 0 474.653 4.509 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001449546652 1067014436 /nfs/dbraw/zinc/01/44/36/1067014436.db2.gz XYXDTGJRSIELKS-GOSISDBHSA-N 0 0 452.816 4.889 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545746747 1067014528 /nfs/dbraw/zinc/01/45/28/1067014528.db2.gz UJOMZHQAYJRDFT-RTWAWAEBSA-N 0 0 479.591 4.710 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458260618 1067015233 /nfs/dbraw/zinc/01/52/33/1067015233.db2.gz UNDQPCQECXQILU-QPPBQGQZSA-N 0 0 457.977 4.868 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545746674 1067015270 /nfs/dbraw/zinc/01/52/70/1067015270.db2.gz SQMCNOCHQAKRDX-GOTSBHOMSA-N 0 0 468.642 4.806 20 0 JJADRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)ccc12 ZINC001458259500 1067015273 /nfs/dbraw/zinc/01/52/73/1067015273.db2.gz RENUJIBJMCIFHH-NZQKXSOJSA-N 0 0 455.917 4.522 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(S(C)(=O)=O)oc2C)ccc1Sc1ccccc1 ZINC001458260479 1067015297 /nfs/dbraw/zinc/01/52/97/1067015297.db2.gz BFZCKLJGZUDHIO-UHFFFAOYSA-N 0 0 459.545 4.572 20 0 JJADRN Cc1cc(NC(=O)c2c(F)cccc2I)cnc1N1CCCC[C@H]1C ZINC001458261231 1067015560 /nfs/dbraw/zinc/01/55/60/1067015560.db2.gz UGDQZRMTTUBGLR-CYBMUJFWSA-N 0 0 453.299 4.765 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458260634 1067015710 /nfs/dbraw/zinc/01/57/10/1067015710.db2.gz UNDQPCQECXQILU-ZJSXRUAMSA-N 0 0 457.977 4.868 20 0 JJADRN COCC[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001449586433 1067015970 /nfs/dbraw/zinc/01/59/70/1067015970.db2.gz SKVTWWOJDGJJQG-KFKAGJAMSA-N 0 0 458.521 4.983 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545746978 1067016107 /nfs/dbraw/zinc/01/61/07/1067016107.db2.gz XTNXXFWTCNCRIY-REWPJTCUSA-N 0 0 453.631 4.925 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)Oc1ccccc1F ZINC001546015090 1067016225 /nfs/dbraw/zinc/01/62/25/1067016225.db2.gz UGIVDGJCOGZZCK-ZCNNSNEGSA-N 0 0 487.620 4.892 20 0 JJADRN Cc1ncc(Br)c(C(=O)NC2(c3ccccc3Br)CCCCC2)n1 ZINC001449589032 1067016535 /nfs/dbraw/zinc/01/65/35/1067016535.db2.gz KAKBIVWGZUSEDA-UHFFFAOYSA-N 0 0 453.178 4.899 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CCCOC(C)C)c1ccccc1 ZINC001545747032 1067016590 /nfs/dbraw/zinc/01/65/90/1067016590.db2.gz YPTIIQKPTWSCQG-YADHBBJMSA-N 0 0 452.603 4.711 20 0 JJADRN Cc1cccc(-n2cnc3cc(C(=O)N[C@@H](CO)c4cccc(Br)c4)ccc32)c1 ZINC001546098819 1067016877 /nfs/dbraw/zinc/01/68/77/1067016877.db2.gz OJUYVDISIVCJCA-NRFANRHFSA-N 0 0 450.336 4.560 20 0 JJADRN Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC001449600956 1067016998 /nfs/dbraw/zinc/01/69/98/1067016998.db2.gz KZBASVCDBBOOLV-ZDUSSCGKSA-N 0 0 454.336 4.831 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC001449598588 1067017045 /nfs/dbraw/zinc/01/70/45/1067017045.db2.gz RLOHVHGHSATHQZ-FOIQADDNSA-N 0 0 456.783 4.949 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc1S(=O)(=O)NC1CCCC1 ZINC001458270702 1067016955 /nfs/dbraw/zinc/01/69/55/1067016955.db2.gz CARPXAXMQOOELR-UHFFFAOYSA-N 0 0 457.983 4.978 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccnc(Br)c1 ZINC001458271162 1067017305 /nfs/dbraw/zinc/01/73/05/1067017305.db2.gz DSLRWALCTBZFED-QGZVFWFLSA-N 0 0 456.306 4.994 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1cc(OC)ccc1OC ZINC001458272387 1067017621 /nfs/dbraw/zinc/01/76/21/1067017621.db2.gz OHDRTPFLUYMPDQ-HXUWFJFHSA-N 0 0 450.501 4.783 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)cn2)C[C@@H](C)O1 ZINC001458272539 1067018023 /nfs/dbraw/zinc/01/80/23/1067018023.db2.gz KFLFNTXZVOIRDL-QZTJIDSGSA-N 0 0 451.567 4.916 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)cn2)C[C@H](C)O1 ZINC001458272541 1067018055 /nfs/dbraw/zinc/01/80/55/1067018055.db2.gz KFLFNTXZVOIRDL-ROUUACIJSA-N 0 0 451.567 4.916 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC001458273348 1067018104 /nfs/dbraw/zinc/01/81/04/1067018104.db2.gz RQYGADNOEGSBNJ-UTKZUKDTSA-N 0 0 459.512 4.567 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OC)C2)n1CCOc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545748794 1067018595 /nfs/dbraw/zinc/01/85/95/1067018595.db2.gz FURQMHLYCAOTHU-UXHICEINSA-N 0 0 489.542 4.928 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2CSC)n1CC1(S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001545748820 1067018645 /nfs/dbraw/zinc/01/86/45/1067018645.db2.gz GFJJVHLSQNXLCK-SFTDATJTSA-N 0 0 476.712 4.509 20 0 JJADRN CCc1nc(C)cc(Sc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)n1 ZINC001458273492 1067018604 /nfs/dbraw/zinc/01/86/04/1067018604.db2.gz AKLRFNMPYAWONK-UHFFFAOYSA-N 0 0 453.365 4.960 20 0 JJADRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458274691 1067018731 /nfs/dbraw/zinc/01/87/31/1067018731.db2.gz GWPLIUHEFFWXCJ-CJQNEGCDSA-N 0 0 456.558 4.643 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001546016011 1067018737 /nfs/dbraw/zinc/01/87/37/1067018737.db2.gz ROFNQEYYWKRFLH-RUZDIDTESA-N 0 0 455.476 4.947 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCc1cccs1)c1ccccc1 ZINC001545748976 1067018907 /nfs/dbraw/zinc/01/89/07/1067018907.db2.gz HWKHFTMHWVTQFG-JTHBVZDNSA-N 0 0 465.667 4.865 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016247 1067019128 /nfs/dbraw/zinc/01/91/28/1067019128.db2.gz ACASLNHQSIXGQX-UXHICEINSA-N 0 0 466.548 4.721 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1c(C)noc1C)c1ccccc1 ZINC001545749144 1067019219 /nfs/dbraw/zinc/01/92/19/1067019219.db2.gz KZUUPMXDPSDYTO-YADHBBJMSA-N 0 0 478.641 4.604 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1c(C)noc1C)c1ccccc1 ZINC001545749141 1067019264 /nfs/dbraw/zinc/01/92/64/1067019264.db2.gz KZUUPMXDPSDYTO-FCHUYYIVSA-N 0 0 478.641 4.604 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1c(C)noc1C)c1ccccc1 ZINC001545749143 1067019382 /nfs/dbraw/zinc/01/93/82/1067019382.db2.gz KZUUPMXDPSDYTO-VXKWHMMOSA-N 0 0 478.641 4.604 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545749066 1067019416 /nfs/dbraw/zinc/01/94/16/1067019416.db2.gz JLOPGMPIRDULEM-FGZHOGPDSA-N 0 0 483.657 4.739 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1ccc2c(Cl)ccc(C)c2n1 ZINC001458277368 1067019324 /nfs/dbraw/zinc/01/93/24/1067019324.db2.gz VJDBEVYOTQDLDY-UWJYYQICSA-N 0 0 453.970 4.678 20 0 JJADRN O=C(N[C@@H](C(=O)NCCOc1ccc(Cl)c(F)c1)c1ccccc1)OCc1ccccc1 ZINC001449653743 1067019463 /nfs/dbraw/zinc/01/94/63/1067019463.db2.gz PARDMVJFPGFPPK-JOCHJYFZSA-N 0 0 456.901 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC001449681537 1067019729 /nfs/dbraw/zinc/01/97/29/1067019729.db2.gz VAQYUFOUVJMSPZ-QFIPXVFZSA-N 0 0 458.549 4.849 20 0 JJADRN COc1ccccc1C1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCCC1 ZINC001449680541 1067019978 /nfs/dbraw/zinc/01/99/78/1067019978.db2.gz SHXLIFGQNZIPNM-LJQANCHMSA-N 0 0 452.542 4.658 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545749350 1067019929 /nfs/dbraw/zinc/01/99/29/1067019929.db2.gz NAOJYEYUZWLVKR-YADHBBJMSA-N 0 0 459.585 4.750 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545749467 1067020198 /nfs/dbraw/zinc/02/01/98/1067020198.db2.gz OLXVABNEYCTTAP-FYYLOGMGSA-N 0 0 493.618 4.957 20 0 JJADRN COCc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)sc2cccc(F)c21 ZINC001449683417 1067020444 /nfs/dbraw/zinc/02/04/44/1067020444.db2.gz BIMJQLZEEOOJBX-HNNXBMFYSA-N 0 0 458.502 4.561 20 0 JJADRN COc1cc([C@@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)C(F)(F)F)cc(OC)c1OC ZINC001458279964 1067020459 /nfs/dbraw/zinc/02/04/59/1067020459.db2.gz HSSUUUKVEIVCML-LKGOPFMKSA-N 0 0 458.502 4.899 20 0 JJADRN Brc1ccc(-n2nnnc2Sc2ccnc(CSc3ccccc3)n2)cc1 ZINC001458281731 1067020492 /nfs/dbraw/zinc/02/04/92/1067020492.db2.gz FZFUECPOXBGMQK-UHFFFAOYSA-N 0 0 457.382 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545749690 1067020913 /nfs/dbraw/zinc/02/09/13/1067020913.db2.gz REHMGPCMVJFHOE-NZQKXSOJSA-N 0 0 483.657 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)C1 ZINC001449694353 1067021109 /nfs/dbraw/zinc/02/11/09/1067021109.db2.gz JWSFCHZXFLMKLT-CABCVRRESA-N 0 0 455.368 4.697 20 0 JJADRN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001458286301 1067021814 /nfs/dbraw/zinc/02/18/14/1067021814.db2.gz GMNIEBVZYHFNGN-QFIPXVFZSA-N 0 0 455.963 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCCc2cccc(C(F)(F)F)c2)C1 ZINC001449706405 1067021980 /nfs/dbraw/zinc/02/19/80/1067021980.db2.gz SOJWAROCHBLIED-MRXNPFEDSA-N 0 0 450.448 4.789 20 0 JJADRN Cc1c(Br)scc1C(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449708797 1067022175 /nfs/dbraw/zinc/02/21/75/1067022175.db2.gz QYHWOYSWQCWBBK-LSDHHAIUSA-N 0 0 457.434 4.928 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545750161 1067022329 /nfs/dbraw/zinc/02/23/29/1067022329.db2.gz YTKLZTMNWVBOSP-HMXCVIKNSA-N 0 0 466.548 4.794 20 0 JJADRN CC[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)CC)NC(=O)OC(C)(C)C ZINC001546016356 1067022572 /nfs/dbraw/zinc/02/25/72/1067022572.db2.gz BZSJWBUTJRYXEH-LZWOXQAQSA-N 0 0 453.538 4.615 20 0 JJADRN CCOCCOc1ccc(Br)cc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC001458290621 1067022740 /nfs/dbraw/zinc/02/27/40/1067022740.db2.gz BMAQOVVOKGEPRL-UHFFFAOYSA-N 0 0 456.340 4.882 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C(F)(F)F)s1 ZINC001458290898 1067022804 /nfs/dbraw/zinc/02/28/04/1067022804.db2.gz DVAUBFHSPAPAMC-CYBMUJFWSA-N 0 0 450.404 4.707 20 0 JJADRN COc1cc([C@@H](NC(=O)c2ccc(Br)s2)C(F)(F)F)cc(OC)c1OC ZINC001458291898 1067022841 /nfs/dbraw/zinc/02/28/41/1067022841.db2.gz OJKZFSMFVRSZKP-CQSZACIVSA-N 0 0 454.264 4.570 20 0 JJADRN COc1cc([C@@H](NC(=O)COc2ccc(C(C)C)c(C)c2)C(F)(F)F)cc(OC)c1OC ZINC001458293908 1067023151 /nfs/dbraw/zinc/02/31/51/1067023151.db2.gz VFRZGUUSFQOVQG-JOCHJYFZSA-N 0 0 455.473 4.943 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545751328 1067023447 /nfs/dbraw/zinc/02/34/47/1067023447.db2.gz DFTNDMPURYSWAT-VWNXMTODSA-N 0 0 470.658 4.516 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1csc(I)n1 ZINC001458295003 1067023710 /nfs/dbraw/zinc/02/37/10/1067023710.db2.gz WDPZALBHLDSXRG-ZETCQYMHSA-N 0 0 453.132 4.814 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC1(F)CCC1)c1ccccc1 ZINC001545751461 1067023808 /nfs/dbraw/zinc/02/38/08/1067023808.db2.gz GFRSAZSMCJBKJK-JOCHJYFZSA-N 0 0 455.622 4.797 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC1(F)CCC1)c1ccccc1 ZINC001545751462 1067024049 /nfs/dbraw/zinc/02/40/49/1067024049.db2.gz GFRSAZSMCJBKJK-QFIPXVFZSA-N 0 0 455.622 4.797 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751469 1067024081 /nfs/dbraw/zinc/02/40/81/1067024081.db2.gz GGQMJLGUQNRJJB-FYYLOGMGSA-N 0 0 485.673 4.940 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCc1ccsc1)c1ccccc1 ZINC001545751382 1067024123 /nfs/dbraw/zinc/02/41/23/1067024123.db2.gz DWUILAXWSHRFNM-QHCPKHFHSA-N 0 0 465.667 4.819 20 0 JJADRN C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458295098 1067024057 /nfs/dbraw/zinc/02/40/57/1067024057.db2.gz WBWYSATURJMKOH-FOIQADDNSA-N 0 0 452.904 4.845 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1)OC ZINC001546016517 1067024284 /nfs/dbraw/zinc/02/42/84/1067024284.db2.gz GFYIZAOKBUDBRE-SFTDATJTSA-N 0 0 457.619 4.802 20 0 JJADRN CC[C@H](Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C)OC ZINC001546016521 1067024396 /nfs/dbraw/zinc/02/43/96/1067024396.db2.gz GIQDPEDYRBEGJM-UXHICEINSA-N 0 0 473.622 4.515 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001458298630 1067024752 /nfs/dbraw/zinc/02/47/52/1067024752.db2.gz WPZZQXDVQFAOJJ-NUDCOPPTSA-N 0 0 456.558 4.500 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001458298612 1067024859 /nfs/dbraw/zinc/02/48/59/1067024859.db2.gz WPZZQXDVQFAOJJ-BBRCJUOPSA-N 0 0 456.558 4.500 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC001458298621 1067024947 /nfs/dbraw/zinc/02/49/47/1067024947.db2.gz WPZZQXDVQFAOJJ-FRBSRZPYSA-N 0 0 456.558 4.500 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H](C)COC)c1ccccc1 ZINC001545751673 1067025009 /nfs/dbraw/zinc/02/50/09/1067025009.db2.gz JQAVSZPSTPEBPW-OFNKIYASSA-N 0 0 481.666 4.517 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545751667 1067025153 /nfs/dbraw/zinc/02/51/53/1067025153.db2.gz JPYUBQRZGZJEOI-GVAUOCQISA-N 0 0 481.685 4.576 20 0 JJADRN COC[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1 ZINC001449754154 1067025542 /nfs/dbraw/zinc/02/55/42/1067025542.db2.gz WXEUZFVFLGCTTH-WMLDXEAASA-N 0 0 455.769 4.546 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(F)c1 ZINC001449756823 1067025576 /nfs/dbraw/zinc/02/55/76/1067025576.db2.gz TXOWYSPHRNYIHC-UHFFFAOYSA-N 0 0 458.559 4.713 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1CCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC001545751943 1067025924 /nfs/dbraw/zinc/02/59/24/1067025924.db2.gz NXFGEKCLJYECFW-JOCHJYFZSA-N 0 0 494.709 4.875 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(c1ccc(N(C)C)cc1)[C@@H](C)c1ccccn1 ZINC001458307471 1067026012 /nfs/dbraw/zinc/02/60/12/1067026012.db2.gz BRBQHSXEYNVTOS-SFHVURJKSA-N 0 0 459.516 4.860 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1CC1(OCCOC)CCOCC1)c1ccccc1 ZINC001545752024 1067026264 /nfs/dbraw/zinc/02/62/64/1067026264.db2.gz PLALOHHGOCOGCH-LADGPHEKSA-N 0 0 470.658 4.659 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016650 1067026949 /nfs/dbraw/zinc/02/69/49/1067026949.db2.gz IBBJAQFXYLALTC-DNVJHFABSA-N 0 0 496.700 4.937 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N(c3ccc(N(C)C)cc3)[C@H](C)c3ccccn3)CC2=O)cc1 ZINC001458311674 1067026970 /nfs/dbraw/zinc/02/69/70/1067026970.db2.gz XQKKQKMKUIMZOM-GGAORHGYSA-N 0 0 456.590 4.599 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)c2ccc(N3CCCCCC3)cc2)cc1Br ZINC001449768482 1067026991 /nfs/dbraw/zinc/02/69/91/1067026991.db2.gz ZJYJEYHEDCWANY-FQEVSTJZSA-N 0 0 459.428 4.719 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1 ZINC001449777922 1067027265 /nfs/dbraw/zinc/02/72/65/1067027265.db2.gz UBYVTQVNGITSNP-RDGATRHJSA-N 0 0 474.642 4.773 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)OC(C)(C)C)CC3)cc2)c1 ZINC001449773730 1067027471 /nfs/dbraw/zinc/02/74/71/1067027471.db2.gz HVKNKWKRPAAAFU-VWNXMTODSA-N 0 0 481.593 4.717 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC001449781162 1067027768 /nfs/dbraw/zinc/02/77/68/1067027768.db2.gz GNWIWTGDUNGYRO-GFCCVEGCSA-N 0 0 456.337 4.809 20 0 JJADRN CC[C@H](c1nnc(N2CCCO[C@H](C)C2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545752311 1067027759 /nfs/dbraw/zinc/02/77/59/1067027759.db2.gz UYKHHZBQAFMTLG-MJGOQNOKSA-N 0 0 454.644 4.633 20 0 JJADRN COC(=O)c1sc2nc(C)nc(Oc3cc(F)cc(I)c3)c2c1C ZINC001458314464 1067027704 /nfs/dbraw/zinc/02/77/04/1067027704.db2.gz LXEZWEKEJGZMGY-UHFFFAOYSA-N 0 0 458.252 4.631 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC001458314393 1067027963 /nfs/dbraw/zinc/02/79/63/1067027963.db2.gz CRLYKBSAZNOCBJ-ZHRRBRCNSA-N 0 0 458.345 4.555 20 0 JJADRN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC001449786924 1067028060 /nfs/dbraw/zinc/02/80/60/1067028060.db2.gz JSPGLUJTNLCKKG-IUXUALHKSA-N 0 0 450.689 4.566 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)NC(=O)OC(C)(C)C ZINC001458316011 1067028143 /nfs/dbraw/zinc/02/81/43/1067028143.db2.gz PNXGEGVOEZKUEF-CQSZACIVSA-N 0 0 451.461 4.629 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458316027 1067028159 /nfs/dbraw/zinc/02/81/59/1067028159.db2.gz PSHDLMSNUNLQPX-FQEVSTJZSA-N 0 0 452.555 4.568 20 0 JJADRN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@H]12 ZINC001449786919 1067028176 /nfs/dbraw/zinc/02/81/76/1067028176.db2.gz JSPGLUJTNLCKKG-GGAKRVASSA-N 0 0 450.689 4.566 20 0 JJADRN C[C@@H](CO)n1c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2nc1C(F)(F)F ZINC001449788688 1067028196 /nfs/dbraw/zinc/02/81/96/1067028196.db2.gz DNLOQIXRSJEGFP-SGTLLEGYSA-N 0 0 454.880 4.503 20 0 JJADRN Cc1cc(F)c(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)c(I)c1 ZINC001458317921 1067028677 /nfs/dbraw/zinc/02/86/77/1067028677.db2.gz CIZOGUJTHVVOQE-INIZCTEOSA-N 0 0 459.205 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449790130 1067028664 /nfs/dbraw/zinc/02/86/64/1067028664.db2.gz RDNDGKDRWFNEEX-IIBYNOLFSA-N 0 0 455.368 4.729 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)cc1 ZINC001449795177 1067029051 /nfs/dbraw/zinc/02/90/51/1067029051.db2.gz KHICSDYGHYHJEE-OLZOCXBDSA-N 0 0 453.486 4.736 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H]2CCCC(F)(F)C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001545753072 1067029171 /nfs/dbraw/zinc/02/91/71/1067029171.db2.gz JHGVIOCOCSOQQY-IBGZPJMESA-N 0 0 450.551 4.583 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)nnn1-c1ccccc1Cl ZINC001545753074 1067029347 /nfs/dbraw/zinc/02/93/47/1067029347.db2.gz JHNQPOPLRBWSMC-NRFANRHFSA-N 0 0 452.967 4.667 20 0 JJADRN CON(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C)c1csc(C)n1 ZINC001449799080 1067029548 /nfs/dbraw/zinc/02/95/48/1067029548.db2.gz SRUVTMBEAXLBDV-JOKNJTHLSA-N 0 0 455.502 4.531 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCCOC(C)C)c1ccccc1 ZINC001545753933 1067029706 /nfs/dbraw/zinc/02/97/06/1067029706.db2.gz BCIDNDFJYYMYEM-QHCPKHFHSA-N 0 0 469.674 4.720 20 0 JJADRN CCC(CC)(C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CO)C(=O)OC(C)(C)C ZINC001449801730 1067029865 /nfs/dbraw/zinc/02/98/65/1067029865.db2.gz QJBRUFDSRZUWFQ-ZDUSSCGKSA-N 0 0 457.493 4.695 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001458320840 1067029903 /nfs/dbraw/zinc/02/99/03/1067029903.db2.gz DJYGODBIRZMKLC-OPAMFIHVSA-N 0 0 455.352 4.929 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545753981 1067030042 /nfs/dbraw/zinc/03/00/42/1067030042.db2.gz CFJBKEQOZAWGED-YXPKMTABSA-N 0 0 483.657 4.691 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001458321550 1067030094 /nfs/dbraw/zinc/03/00/94/1067030094.db2.gz WAUWPOUEGGZMLN-NVVBAYIOSA-N 0 0 453.583 4.845 20 0 JJADRN COc1ccc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1Br ZINC001458321982 1067030278 /nfs/dbraw/zinc/03/02/78/1067030278.db2.gz GNNOJCIICOHXKE-DIFFPNOSSA-N 0 0 457.162 4.726 20 0 JJADRN Cc1cc(F)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(I)c1 ZINC001458322258 1067030306 /nfs/dbraw/zinc/03/03/06/1067030306.db2.gz OXVOODCYPWKDCQ-OAHLLOKOSA-N 0 0 455.267 4.549 20 0 JJADRN CC[C@H](Cn1c(N2CCCC2(C)C)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017454 1067030430 /nfs/dbraw/zinc/03/04/30/1067030430.db2.gz VDRWHZMGZWEVJW-CLOONOSVSA-N 0 0 460.594 4.694 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545754219 1067030377 /nfs/dbraw/zinc/03/03/77/1067030377.db2.gz ILXXRHJMYSZJRL-NEUULRRLSA-N 0 0 497.684 4.938 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545754211 1067030453 /nfs/dbraw/zinc/03/04/53/1067030453.db2.gz IHUBMHLPQZTCMC-HQQGYVGFSA-N 0 0 495.712 4.846 20 0 JJADRN CC[C@@H](C)[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001545754210 1067030513 /nfs/dbraw/zinc/03/05/13/1067030513.db2.gz IHUBMHLPQZTCMC-FZWQGKLBSA-N 0 0 495.712 4.846 20 0 JJADRN O=C(Nc1ccc(Br)c2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001458323459 1067030457 /nfs/dbraw/zinc/03/04/57/1067030457.db2.gz NJRCYJYMSYCDMU-UHFFFAOYSA-N 0 0 459.365 4.639 20 0 JJADRN Cn1nnc2cc(C(=O)N[C@@H](COc3cccc(F)c3)c3cccc(C(F)(F)F)c3)ccc21 ZINC001458322880 1067030566 /nfs/dbraw/zinc/03/05/66/1067030566.db2.gz UNLXPTRHBVQOEA-FQEVSTJZSA-N 0 0 458.415 4.676 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545754250 1067030596 /nfs/dbraw/zinc/03/05/96/1067030596.db2.gz JANPFUZZMACMSR-MDNUFGMLSA-N 0 0 484.689 4.511 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)cs1 ZINC001449831516 1067030713 /nfs/dbraw/zinc/03/07/13/1067030713.db2.gz NJZHDVWHSXVDPY-UHFFFAOYSA-N 0 0 457.518 4.894 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001458323970 1067030920 /nfs/dbraw/zinc/03/09/20/1067030920.db2.gz XWXHGWPCBQRKCJ-AWEZNQCLSA-N 0 0 451.461 4.629 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)cs1)OC ZINC001546017577 1067031105 /nfs/dbraw/zinc/03/11/05/1067031105.db2.gz XJHRGGXRVLXIOJ-MJGOQNOKSA-N 0 0 463.648 4.781 20 0 JJADRN COc1nc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)cc2ccccc21 ZINC001449837617 1067031142 /nfs/dbraw/zinc/03/11/42/1067031142.db2.gz HWLQHYFVOUDAGL-CYBMUJFWSA-N 0 0 458.440 4.808 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545754621 1067031299 /nfs/dbraw/zinc/03/12/99/1067031299.db2.gz QXBODNBPQMRJET-DEOSSOPVSA-N 0 0 481.685 4.600 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001458325712 1067031460 /nfs/dbraw/zinc/03/14/60/1067031460.db2.gz WFJZCIIGZOVSKE-IIMJZQEZSA-N 0 0 451.792 4.821 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1OCCC1(C)C)c1ccccc1 ZINC001545754743 1067031796 /nfs/dbraw/zinc/03/17/96/1067031796.db2.gz UFPQHNLYYGDWDR-FCHUYYIVSA-N 0 0 483.657 4.692 20 0 JJADRN CCc1nc(C(=O)N2CCc3cc(Br)cc(C)c3C2)nn1-c1ccccc1Cl ZINC001458326854 1067031803 /nfs/dbraw/zinc/03/18/03/1067031803.db2.gz QLUAJNLRBXXGAC-UHFFFAOYSA-N 0 0 459.775 4.753 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)N2CCc3cc(Br)cc(C)c3C2)no1 ZINC001458326695 1067031840 /nfs/dbraw/zinc/03/18/40/1067031840.db2.gz NMIVMHXWUVGJRM-UHFFFAOYSA-N 0 0 458.381 4.940 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)cn1 ZINC001449844358 1067031978 /nfs/dbraw/zinc/03/19/78/1067031978.db2.gz VURVIVPIPIZAKP-OAHLLOKOSA-N 0 0 457.456 4.745 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(c1ccc(F)cc1S(=O)(=O)C(F)(F)F)CC2 ZINC001458329266 1067032100 /nfs/dbraw/zinc/03/21/00/1067032100.db2.gz BNXLXVKYIMVPOH-UHFFFAOYSA-N 0 0 452.267 4.753 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccco1)c1ccccc1 ZINC001545754852 1067032112 /nfs/dbraw/zinc/03/21/12/1067032112.db2.gz WQBSJIOTSNFFHN-OAQYLSRUSA-N 0 0 451.571 4.518 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCCOC(C)C)c1ccccc1 ZINC001545754860 1067032141 /nfs/dbraw/zinc/03/21/41/1067032141.db2.gz XAOAUKCYVKCCFG-VWLOTQADSA-N 0 0 481.685 4.864 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545754899 1067032184 /nfs/dbraw/zinc/03/21/84/1067032184.db2.gz YFSQBJSJGXYGFJ-QPTUXGOLSA-N 0 0 466.674 4.840 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2cc3ccc(OC)cc3s2)CC1 ZINC001449853837 1067032409 /nfs/dbraw/zinc/03/24/09/1067032409.db2.gz KYFSWRROLQPUSJ-UHFFFAOYSA-N 0 0 451.544 4.578 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545756077 1067032479 /nfs/dbraw/zinc/03/24/79/1067032479.db2.gz AKBCCHKPIUSOLG-PZJWPPBQSA-N 0 0 468.671 4.585 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)C1)c1ccccc1 ZINC001546017702 1067032687 /nfs/dbraw/zinc/03/26/87/1067032687.db2.gz ZXCZRESOCOEYBG-FCEUIQTBSA-N 0 0 483.657 4.858 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017686 1067032765 /nfs/dbraw/zinc/03/27/65/1067032765.db2.gz ZTQGPUHFBZVECY-VQTJNVASSA-N 0 0 499.656 4.992 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017687 1067032818 /nfs/dbraw/zinc/03/28/18/1067032818.db2.gz ZTQGPUHFBZVECY-WOJBJXKFSA-N 0 0 499.656 4.992 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545756116 1067032916 /nfs/dbraw/zinc/03/29/16/1067032916.db2.gz AYTLJXVDMZRLFH-NQIIRXRSSA-N 0 0 480.682 4.679 20 0 JJADRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1Nc1c(F)cccc1F)C2=O ZINC001458332831 1067032931 /nfs/dbraw/zinc/03/29/31/1067032931.db2.gz GOGGSYOQVSYUFL-DEOSSOPVSA-N 0 0 456.493 4.538 20 0 JJADRN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC001449872019 1067033328 /nfs/dbraw/zinc/03/33/28/1067033328.db2.gz AQLKLCCCVRAFEC-MOPGFXCFSA-N 0 0 456.384 4.709 20 0 JJADRN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC001449872039 1067033361 /nfs/dbraw/zinc/03/33/61/1067033361.db2.gz AQLKLCCCVRAFEC-RTBURBONSA-N 0 0 456.384 4.709 20 0 JJADRN Cc1csc2nc(C)nc(N(C)Cc3cccc(Br)c3OCC(C)(C)O)c12 ZINC001458333689 1067033208 /nfs/dbraw/zinc/03/32/08/1067033208.db2.gz RSNFAEVTHIDTJS-UHFFFAOYSA-N 0 0 450.402 4.857 20 0 JJADRN O=S1(=O)CCCN1c1ccc(CNc2oc(-c3ccccc3)nc2C(F)(F)F)cc1F ZINC001458336069 1067033707 /nfs/dbraw/zinc/03/37/07/1067033707.db2.gz YHENAKXAPRLWAA-UHFFFAOYSA-N 0 0 455.433 4.652 20 0 JJADRN CC[C@@H](C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)nc(C)n1 ZINC001458334930 1067033747 /nfs/dbraw/zinc/03/37/47/1067033747.db2.gz JEJKPPWUVFDBMH-XLIONFOSSA-N 0 0 456.587 4.769 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[C@H](c4cccc(Br)c4)C3)C2=O)cc1 ZINC001449876469 1067033761 /nfs/dbraw/zinc/03/37/61/1067033761.db2.gz HAKRPJDPSUOAAG-UGKGYDQZSA-N 0 0 455.396 4.942 20 0 JJADRN CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)C1CCC1 ZINC001449892517 1067034613 /nfs/dbraw/zinc/03/46/13/1067034613.db2.gz VQJWHLPSGCSEFB-UHFFFAOYSA-N 0 0 451.386 4.558 20 0 JJADRN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001458338745 1067034739 /nfs/dbraw/zinc/03/47/39/1067034739.db2.gz CCTRIAUULJCBMM-UHFFFAOYSA-N 0 0 458.436 4.879 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC001449900343 1067035390 /nfs/dbraw/zinc/03/53/90/1067035390.db2.gz MKLUIBUHIPUIAE-UHFFFAOYSA-N 0 0 457.596 4.672 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545757237 1067035539 /nfs/dbraw/zinc/03/55/39/1067035539.db2.gz WADYWHYXESVITF-RBBKRZOGSA-N 0 0 482.698 4.975 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC001449902819 1067035829 /nfs/dbraw/zinc/03/58/29/1067035829.db2.gz RKWNBIUZZIRIBS-UHFFFAOYSA-N 0 0 454.571 4.766 20 0 JJADRN COc1ccc(CN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458342671 1067036083 /nfs/dbraw/zinc/03/60/83/1067036083.db2.gz DUQHQMKUXIPWNO-PUHATCMVSA-N 0 0 459.627 4.977 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc3[nH]c(Cc4ccc(F)cc4)nc3c2)CC1 ZINC001449904730 1067036139 /nfs/dbraw/zinc/03/61/39/1067036139.db2.gz ZHLDZZDGBKZMQD-UHFFFAOYSA-N 0 0 450.558 4.952 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001458344148 1067036629 /nfs/dbraw/zinc/03/66/29/1067036629.db2.gz AETRPMATSIGEIP-FQQGMQMYSA-N 0 0 451.485 4.556 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@@H]1CCCSC1)c1ccccc1 ZINC001545758567 1067038424 /nfs/dbraw/zinc/03/84/24/1067038424.db2.gz JCSMXEAOBSRBDW-LADGPHEKSA-N 0 0 471.715 4.510 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(O)c2Br)nn1-c1ccc(Br)cc1 ZINC001449936949 1067038426 /nfs/dbraw/zinc/03/84/26/1067038426.db2.gz KYUBVEGFEITALW-UHFFFAOYSA-N 0 0 451.118 4.664 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)cc1 ZINC001458349398 1067038689 /nfs/dbraw/zinc/03/86/89/1067038689.db2.gz MPQLKROWCDGRNZ-RBZFPXEDSA-N 0 0 456.764 4.772 20 0 JJADRN CCCn1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1C1CC1 ZINC001449954741 1067038765 /nfs/dbraw/zinc/03/87/65/1067038765.db2.gz ZVRJGMONCUWXSJ-UHFFFAOYSA-N 0 0 458.971 4.877 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001546018451 1067038832 /nfs/dbraw/zinc/03/88/32/1067038832.db2.gz BXVOQHPJXOXCQZ-FYYLOGMGSA-N 0 0 498.672 4.670 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCCc1nccs1)c1ccccc1 ZINC001545758636 1067038824 /nfs/dbraw/zinc/03/88/24/1067038824.db2.gz KGXXRJPGUSDVBP-RBBKRZOGSA-N 0 0 480.682 4.602 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3Cl)ccc2c1 ZINC001449966326 1067039096 /nfs/dbraw/zinc/03/90/96/1067039096.db2.gz OIWZAMQOHGCPLP-UHFFFAOYSA-N 0 0 459.999 4.888 20 0 JJADRN COc1ccc(CN(C(=O)C2CN(C(=O)C3CCCCC3)C2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458350812 1067039537 /nfs/dbraw/zinc/03/95/37/1067039537.db2.gz YKNSPFZQXZPLFT-XXBNENTESA-N 0 0 456.627 4.650 20 0 JJADRN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979889 1067039584 /nfs/dbraw/zinc/03/95/84/1067039584.db2.gz NXWYUIANJRUMQL-GLFIFPSUSA-N 0 0 459.937 4.602 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1c(F)cccc1I ZINC001458351504 1067040034 /nfs/dbraw/zinc/04/00/34/1067040034.db2.gz UWLRKJWIEFWZRJ-AWEZNQCLSA-N 0 0 451.201 4.724 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001449987740 1067040290 /nfs/dbraw/zinc/04/02/90/1067040290.db2.gz WKYAEUPAFLPJOX-GFCCVEGCSA-N 0 0 458.747 4.998 20 0 JJADRN CCCCN(C)c1ccc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001458355438 1067040810 /nfs/dbraw/zinc/04/08/10/1067040810.db2.gz OZCBAXFEIPVPGH-HXUWFJFHSA-N 0 0 452.599 4.952 20 0 JJADRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001458355295 1067040958 /nfs/dbraw/zinc/04/09/58/1067040958.db2.gz FJTKTCHILFCIAB-UHFFFAOYSA-N 0 0 454.354 4.665 20 0 JJADRN C[C@H](CCCCO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C ZINC001450000773 1067040995 /nfs/dbraw/zinc/04/09/95/1067040995.db2.gz IEXOGCPPEKEOSV-HOYKHHGWSA-N 0 0 452.595 4.607 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001458357035 1067041233 /nfs/dbraw/zinc/04/12/33/1067041233.db2.gz UIYLMKQSSDZOEX-MRXNPFEDSA-N 0 0 450.322 4.791 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1)OC ZINC001546018830 1067041199 /nfs/dbraw/zinc/04/11/99/1067041199.db2.gz JCTTXMYRPMDIEK-JMJGKCIBSA-N 0 0 456.631 4.972 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC001450009413 1067041315 /nfs/dbraw/zinc/04/13/15/1067041315.db2.gz SQJHDLJHVGCNPU-GJZGRUSLSA-N 0 0 458.477 4.738 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)CCCOc3ccccc3Cl)cc2C1 ZINC001458357481 1067041476 /nfs/dbraw/zinc/04/14/76/1067041476.db2.gz WGUHNDYVHPKORB-QGZVFWFLSA-N 0 0 459.974 4.915 20 0 JJADRN COc1ccc(-c2nc(Sc3cc(Br)cc(C)n3)n[nH]2)cc1Br ZINC001458361387 1067042011 /nfs/dbraw/zinc/04/20/11/1067042011.db2.gz CIMXYVYZVRJMSS-UHFFFAOYSA-N 0 0 456.163 4.860 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2)c1Br ZINC001458360431 1067042204 /nfs/dbraw/zinc/04/22/04/1067042204.db2.gz UYKLAHXDFSGELQ-KRWDZBQOSA-N 0 0 452.274 4.928 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC001450025821 1067042828 /nfs/dbraw/zinc/04/28/28/1067042828.db2.gz ILDQAJFHOKTWSQ-WJFTUGDTSA-N 0 0 454.286 4.594 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@H]1CCCCS1)c1ccccc1 ZINC001545759463 1067042794 /nfs/dbraw/zinc/04/27/94/1067042794.db2.gz YDQHFRJZUMGSAL-YMPZKCBVSA-N 0 0 469.699 4.799 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001450031083 1067043263 /nfs/dbraw/zinc/04/32/63/1067043263.db2.gz OYMNEAKDMGMPEQ-AWEZNQCLSA-N 0 0 459.237 4.942 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCO[C@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001458368535 1067043300 /nfs/dbraw/zinc/04/33/00/1067043300.db2.gz MGWINYBZEPXPPZ-KGLIPLIRSA-N 0 0 454.386 4.643 20 0 JJADRN CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3cccc(C4CC(=O)NC(=O)C4)c3)cn2)cc1 ZINC001450034828 1067043431 /nfs/dbraw/zinc/04/34/31/1067043431.db2.gz VAFKIRCPNSZYJZ-UHFFFAOYSA-N 0 0 457.530 4.944 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC001450032945 1067043578 /nfs/dbraw/zinc/04/35/78/1067043578.db2.gz RZRBVCPMYRSJIK-QYMJWVLRSA-N 0 0 452.420 4.653 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)OC ZINC001546018970 1067043583 /nfs/dbraw/zinc/04/35/83/1067043583.db2.gz LXAUZGWUFQGSIE-JZJXAQOMSA-N 0 0 477.049 4.933 20 0 JJADRN CC(C)[C@@H](CO)[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C(C)C ZINC001450043975 1067043918 /nfs/dbraw/zinc/04/39/18/1067043918.db2.gz VSWBOJRQZXFTQA-CJFMBICVSA-N 0 0 458.002 4.674 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1)OC ZINC001546019159 1067044904 /nfs/dbraw/zinc/04/49/04/1067044904.db2.gz PFVJQILKRXOEFC-KAOXLYBCSA-N 0 0 455.647 4.703 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC001450054565 1067044980 /nfs/dbraw/zinc/04/49/80/1067044980.db2.gz IUQJRZVHOLCQJC-OLZOCXBDSA-N 0 0 453.555 4.784 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545761455 1067045039 /nfs/dbraw/zinc/04/50/39/1067045039.db2.gz RQIQUPWRFSKFIP-NTKDMRAZSA-N 0 0 454.644 4.670 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001450058390 1067045286 /nfs/dbraw/zinc/04/52/86/1067045286.db2.gz SEHMDSUDHFDRGN-HUUCEWRRSA-N 0 0 458.946 4.817 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)N2CCCCc3cc(Br)ccc32)CO1 ZINC001458373854 1067045301 /nfs/dbraw/zinc/04/53/01/1067045301.db2.gz BOBYRZAJUSOXTN-WMZOPIPTSA-N 0 0 452.389 4.645 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1)OC ZINC001546019161 1067045304 /nfs/dbraw/zinc/04/53/04/1067045304.db2.gz PFVJQILKRXOEFC-SSGKUCQKSA-N 0 0 455.647 4.703 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1)OC ZINC001546019162 1067045319 /nfs/dbraw/zinc/04/53/19/1067045319.db2.gz PFVJQILKRXOEFC-WBADGQHESA-N 0 0 455.647 4.703 20 0 JJADRN O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC001458372797 1067045476 /nfs/dbraw/zinc/04/54/76/1067045476.db2.gz UKXHQONHEAYVJA-SSDOTTSWSA-N 0 0 454.234 4.670 20 0 JJADRN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nn1-c1ccccc1Cl ZINC001458377088 1067045990 /nfs/dbraw/zinc/04/59/90/1067045990.db2.gz UPNUDRWWCIIOGC-IBGZPJMESA-N 0 0 454.958 4.909 20 0 JJADRN O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001545762744 1067046180 /nfs/dbraw/zinc/04/61/80/1067046180.db2.gz VCHHSBHQUAKMJO-UHFFFAOYSA-N 0 0 454.313 4.794 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC2(Cc3cccc(F)c3)CCOCC2)c1 ZINC001450063181 1067046246 /nfs/dbraw/zinc/04/62/46/1067046246.db2.gz KCDIMIFLHFZSGM-UHFFFAOYSA-N 0 0 453.583 4.628 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)cc21 ZINC001545762427 1067046283 /nfs/dbraw/zinc/04/62/83/1067046283.db2.gz MFAJALVQAGATQR-UHFFFAOYSA-N 0 0 451.445 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 ZINC001458382210 1067047179 /nfs/dbraw/zinc/04/71/79/1067047179.db2.gz AMLKPRFCOSMMGR-AWEZNQCLSA-N 0 0 459.419 4.614 20 0 JJADRN Cc1nc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)ccc1-c1cnn(C)c1 ZINC001450071187 1067047116 /nfs/dbraw/zinc/04/71/16/1067047116.db2.gz HAYUNUCEGUBYAW-UHFFFAOYSA-N 0 0 453.428 4.595 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545763394 1067047363 /nfs/dbraw/zinc/04/73/63/1067047363.db2.gz HZYOXIKQYBQHIJ-VAMGGRTRSA-N 0 0 452.521 4.547 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 ZINC001450076049 1067047502 /nfs/dbraw/zinc/04/75/02/1067047502.db2.gz QJQXTRCJMADTRW-XMMPIXPASA-N 0 0 455.942 4.982 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCc1nccnc1C)c1ccccc1 ZINC001545763778 1067047676 /nfs/dbraw/zinc/04/76/76/1067047676.db2.gz NCJVDZYVPWQDND-AMGIVPHBSA-N 0 0 462.642 4.803 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC001450078859 1067047945 /nfs/dbraw/zinc/04/79/45/1067047945.db2.gz MLLKCBWUSXDQIF-UHFFFAOYSA-N 0 0 452.820 4.676 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1(C)CCC1)c1ccccc1 ZINC001545764239 1067048431 /nfs/dbraw/zinc/04/84/31/1067048431.db2.gz SNYXGUNDHLXMPK-FCHUYYIVSA-N 0 0 483.657 4.740 20 0 JJADRN Cc1cc(C)c(C(=O)CCCC(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c(C)c1 ZINC001450080966 1067048491 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CKSZETYEAFHJRP-HXUWFJFHSA-N 0 0 483.418 4.737 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nccs2)CCO1 ZINC001546100313 1067053605 /nfs/dbraw/zinc/05/36/05/1067053605.db2.gz WPSCUWOHNHXJTD-VWLOTQADSA-N 0 0 469.655 4.993 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@](C)(O)c1ccco1)c1ccccc1 ZINC001545768225 1067053769 /nfs/dbraw/zinc/05/37/69/1067053769.db2.gz PRQFHAWSELHOCR-UYCVCSCRSA-N 0 0 462.516 4.955 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC001450144057 1067053953 /nfs/dbraw/zinc/05/39/53/1067053953.db2.gz LLMZLAAJTQLASF-FQEVSTJZSA-N 0 0 456.558 4.678 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545768580 1067054501 /nfs/dbraw/zinc/05/45/01/1067054501.db2.gz ZJZOOKWWCOKSMG-ZVDOUQERSA-N 0 0 482.641 4.762 20 0 JJADRN CC[C@@H](c1nnc(Nc2ccn(C)n2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545768588 1067054515 /nfs/dbraw/zinc/05/45/15/1067054515.db2.gz ZOLQOALQKLMFFQ-WOJBJXKFSA-N 0 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ZINC001458412127 1067055282 /nfs/dbraw/zinc/05/52/82/1067055282.db2.gz CTLBTRWGTWDOPY-AWEZNQCLSA-N 0 0 452.230 4.950 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3C[C@@H](c4cccc(C(F)(F)F)c4)OC[C@H]3C)c2N1 ZINC001450155689 1067055495 /nfs/dbraw/zinc/05/54/95/1067055495.db2.gz VFHUQZDCXHCLJJ-YQPCPPDFSA-N 0 0 476.421 4.812 20 0 JJADRN C[C@H]1CN(C(=O)c2csc(-c3ncccc3F)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450157848 1067055527 /nfs/dbraw/zinc/05/55/27/1067055527.db2.gz WMETZIXGCDJIKA-SJCJKPOMSA-N 0 0 451.445 4.965 20 0 JJADRN CCC(CC)(Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](COC)C1)SC ZINC001545769767 1067055710 /nfs/dbraw/zinc/05/57/10/1067055710.db2.gz JXOCYSMFTYAGGK-LJQANCHMSA-N 0 0 459.660 4.542 20 0 JJADRN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001450157764 1067055854 /nfs/dbraw/zinc/05/58/54/1067055854.db2.gz YQZQOLLJRYSIBL-CHWSQXEVSA-N 0 0 457.265 4.815 20 0 JJADRN COc1ccc([C@H](C)NC(=O)CCSc2ccc3c(c2)OCCO3)c(Br)c1 ZINC001458413546 1067055831 /nfs/dbraw/zinc/05/58/31/1067055831.db2.gz RXSKUOWOUQQVGT-ZDUSSCGKSA-N 0 0 452.370 4.589 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)cc1 ZINC001458413867 1067055848 /nfs/dbraw/zinc/05/58/48/1067055848.db2.gz CLSXGMVVOQJZPY-UHFFFAOYSA-N 0 0 450.347 4.774 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(F)cc1-n1cccc1 ZINC001458416143 1067056209 /nfs/dbraw/zinc/05/62/09/1067056209.db2.gz RQRGJHYREADURH-SFHVURJKSA-N 0 0 455.555 4.740 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(OC)cc1 ZINC001450168813 1067056779 /nfs/dbraw/zinc/05/67/79/1067056779.db2.gz DBIUAFFIGGPSSM-HSZRJFAPSA-N 0 0 455.595 4.959 20 0 JJADRN COCc1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc(C(=O)OC)c1 ZINC001450164799 1067056873 /nfs/dbraw/zinc/05/68/73/1067056873.db2.gz WEOUQPJWMYWTEP-UHFFFAOYSA-N 0 0 451.704 4.769 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC001450163949 1067056961 /nfs/dbraw/zinc/05/69/61/1067056961.db2.gz ZHOPEORAHXSCAB-RTBURBONSA-N 0 0 452.407 4.593 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC001450163937 1067057046 /nfs/dbraw/zinc/05/70/46/1067057046.db2.gz ZHOPEORAHXSCAB-OALUTQOASA-N 0 0 452.407 4.593 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC ZINC001545771034 1067056993 /nfs/dbraw/zinc/05/69/93/1067056993.db2.gz DAYUZIDVZRSFCC-HOFKKMOUSA-N 0 0 499.700 4.541 20 0 JJADRN C[C@H](OC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)c1cc(Cl)ccc1F ZINC001458421737 1067057019 /nfs/dbraw/zinc/05/70/19/1067057019.db2.gz JNIDEABYUFCNNG-QMMMGPOBSA-N 0 0 453.688 4.702 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545771029 1067057026 /nfs/dbraw/zinc/05/70/26/1067057026.db2.gz CYGHHBXOWATJFU-OAQYLSRUSA-N 0 0 457.619 4.718 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1=O ZINC001458422255 1067057035 /nfs/dbraw/zinc/05/70/35/1067057035.db2.gz QOBPNQATYSYOLQ-RDJZCZTQSA-N 0 0 450.564 4.719 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1=O ZINC001458422252 1067057142 /nfs/dbraw/zinc/05/71/42/1067057142.db2.gz QOBPNQATYSYOLQ-NVXWUHKLSA-N 0 0 450.564 4.719 20 0 JJADRN C[C@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(F)cc1Cl ZINC001450172640 1067057252 /nfs/dbraw/zinc/05/72/52/1067057252.db2.gz QTXQITXFQIZHFB-YOEHRIQHSA-N 0 0 450.942 4.739 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OC)C1)SC ZINC001545771149 1067057527 /nfs/dbraw/zinc/05/75/27/1067057527.db2.gz HDSPDWITRHFJFY-KRWDZBQOSA-N 0 0 453.450 4.855 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1)SC ZINC001545771255 1067057600 /nfs/dbraw/zinc/05/76/00/1067057600.db2.gz JTYVKLCTTOXSGO-IBGZPJMESA-N 0 0 499.660 4.596 20 0 JJADRN CCCc1c(C(=O)N2CCC(c3ccc(C)nc3)CC2)cnn1-c1cc(F)c(OC)cc1F ZINC001546100509 1067057686 /nfs/dbraw/zinc/05/76/86/1067057686.db2.gz ATJVEQWSQJLHRU-UHFFFAOYSA-N 0 0 454.521 4.835 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1Cl)c1cnc2ncc(Br)cc2c1 ZINC001458423155 1067057715 /nfs/dbraw/zinc/05/77/15/1067057715.db2.gz LXXHQGDSTZOUGV-UHFFFAOYSA-N 0 0 455.139 4.646 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@@H](c2ccccn2)C1 ZINC001450185563 1067057867 /nfs/dbraw/zinc/05/78/67/1067057867.db2.gz XXKFRYVAWBCCBT-CYBMUJFWSA-N 0 0 452.292 4.624 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)c(OC)c1 ZINC001450185106 1067057940 /nfs/dbraw/zinc/05/79/40/1067057940.db2.gz VBVTWYKIZWHVSK-MOPGFXCFSA-N 0 0 452.576 4.724 20 0 JJADRN Cn1nc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)c(Br)c1C(F)(F)F ZINC001458427175 1067057954 /nfs/dbraw/zinc/05/79/54/1067057954.db2.gz NZHNXAHLWGHHMT-UHFFFAOYSA-N 0 0 452.221 4.679 20 0 JJADRN CC[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccc(OC)cc1 ZINC001458428386 1067058440 /nfs/dbraw/zinc/05/84/40/1067058440.db2.gz IZAMYJVAXDDGND-XMMPIXPASA-N 0 0 451.544 4.755 20 0 JJADRN CCC1(CC)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001450190433 1067058402 /nfs/dbraw/zinc/05/84/02/1067058402.db2.gz GPYOMAMQZSVDNC-UHFFFAOYSA-N 0 0 451.386 4.512 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)C3(Cc4ccccc4Br)CC3)CC2)cc1 ZINC001450192105 1067058523 /nfs/dbraw/zinc/05/85/23/1067058523.db2.gz GLAIEIOSROHZDM-JOCHJYFZSA-N 0 0 458.396 4.753 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCc3cnc(C)cc3C)c2c1C ZINC001458427995 1067058533 /nfs/dbraw/zinc/05/85/33/1067058533.db2.gz JDTYFPLQABFJNB-UHFFFAOYSA-N 0 0 453.612 4.786 20 0 JJADRN CC(C)(C)Sc1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cc1F ZINC001450197259 1067058846 /nfs/dbraw/zinc/05/88/46/1067058846.db2.gz KNKXRDLWPWBUDT-UHFFFAOYSA-N 0 0 458.527 4.688 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1cn3c(Br)cnc3s1)CCC2 ZINC001458432933 1067058719 /nfs/dbraw/zinc/05/87/19/1067058719.db2.gz XSJJBNGYLVLIFW-UHFFFAOYSA-N 0 0 455.175 4.822 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1)OCC(F)(F)F ZINC001458430935 1067058753 /nfs/dbraw/zinc/05/87/53/1067058753.db2.gz NQNDYVLLKMDYRQ-CQSZACIVSA-N 0 0 459.827 4.599 20 0 JJADRN CCC(CC)(Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C(N)=O)CC1)OC ZINC001545771497 1067058754 /nfs/dbraw/zinc/05/87/54/1067058754.db2.gz QPJDYDOZCGXCPJ-UHFFFAOYSA-N 0 0 476.046 4.720 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(COC(=O)N2)CC1)SC ZINC001545771535 1067058858 /nfs/dbraw/zinc/05/88/58/1067058858.db2.gz RNQWYUZRKUVAIJ-KRWDZBQOSA-N 0 0 491.633 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1)SC ZINC001545771634 1067059327 /nfs/dbraw/zinc/05/93/27/1067059327.db2.gz VMFRFHPQGXGUBO-HXUWFJFHSA-N 0 0 482.492 4.585 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)SC ZINC001545771661 1067059453 /nfs/dbraw/zinc/05/94/53/1067059453.db2.gz WOGFJNOXBPSZDH-AZUAARDMSA-N 0 0 489.661 4.680 20 0 JJADRN COc1cccc(/C=C(\CC(=O)N2CCC(F)(F)[C@@H](CO)C2)c2nc3ccccc3s2)c1 ZINC001450201953 1067059624 /nfs/dbraw/zinc/05/96/24/1067059624.db2.gz WYLAQGBQJAOANS-ZKTNYTPDSA-N 0 0 458.530 4.712 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC2)cc1 ZINC001450200247 1067059695 /nfs/dbraw/zinc/05/96/95/1067059695.db2.gz RVGFEHPBOVNXQM-HSZRJFAPSA-N 0 0 454.567 4.936 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC001458436894 1067059826 /nfs/dbraw/zinc/05/98/26/1067059826.db2.gz FKIWNSIJKWKAHD-XIKOKIGWSA-N 0 0 451.311 4.665 20 0 JJADRN CC[C@@H](OC(=O)c1cc(OC)c(OC)cc1I)c1cccc(OC)c1 ZINC001458438006 1067060122 /nfs/dbraw/zinc/06/01/22/1067060122.db2.gz UBJWJFGCQTYTEK-MRXNPFEDSA-N 0 0 456.276 4.625 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1)Oc1ccccc1F ZINC001546020481 1067060300 /nfs/dbraw/zinc/06/03/00/1067060300.db2.gz GUWUIWFEAHHEQI-MRUHUIDDSA-N 0 0 499.414 4.898 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N(C)Cc2occc2C)cc1 ZINC001450211307 1067060327 /nfs/dbraw/zinc/06/03/27/1067060327.db2.gz OSSJESRYZHTWQP-UHFFFAOYSA-N 0 0 457.324 4.884 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)OC ZINC001545772454 1067060749 /nfs/dbraw/zinc/06/07/49/1067060749.db2.gz BARWVSNQHBAJFK-HXUWFJFHSA-N 0 0 481.641 4.885 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCCCCC1)Oc1ccccc1F ZINC001546020677 1067060874 /nfs/dbraw/zinc/06/08/74/1067060874.db2.gz MPZKSUJPMZGEKX-MZKRTTBSSA-N 0 0 460.594 4.769 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC001458440148 1067060920 /nfs/dbraw/zinc/06/09/20/1067060920.db2.gz QHZBIHQFKRTXFF-BBRMVZONSA-N 0 0 459.637 4.639 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545772586 1067061037 /nfs/dbraw/zinc/06/10/37/1067061037.db2.gz DYBNDHCCKDZCHO-NRFANRHFSA-N 0 0 462.660 4.889 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)SC ZINC001545772576 1067061148 /nfs/dbraw/zinc/06/11/48/1067061148.db2.gz DPAJGEYLXQUMHD-LJQANCHMSA-N 0 0 473.687 4.569 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC001458440157 1067060998 /nfs/dbraw/zinc/06/09/98/1067060998.db2.gz QHZBIHQFKRTXFF-CZUORRHYSA-N 0 0 459.637 4.639 20 0 JJADRN O=C([C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450225373 1067061155 /nfs/dbraw/zinc/06/11/55/1067061155.db2.gz FUUFTKIXLRLJAJ-QGPMSJSTSA-N 0 0 453.739 4.810 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(CC)C1)Oc1ccccc1F ZINC001546020874 1067061242 /nfs/dbraw/zinc/06/12/42/1067061242.db2.gz RSTJZMDUSPTDBL-DZNWXHPMSA-N 0 0 460.594 4.625 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458440267 1067061095 /nfs/dbraw/zinc/06/10/95/1067061095.db2.gz FLMQAXUIEZCZND-PBHICJAKSA-N 0 0 452.045 4.963 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545772694 1067061478 /nfs/dbraw/zinc/06/14/78/1067061478.db2.gz JGCMQPGXYIPGEC-JOCHJYFZSA-N 0 0 466.630 4.814 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1)OC ZINC001545772763 1067061743 /nfs/dbraw/zinc/06/17/43/1067061743.db2.gz LGFFSJKZMYARMQ-CYBMUJFWSA-N 0 0 459.479 4.916 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)NCC2(c3ccccc3Cl)CCCCC2)n1 ZINC001458443437 1067061821 /nfs/dbraw/zinc/06/18/21/1067061821.db2.gz DZQLRPXAQACRMI-UHFFFAOYSA-N 0 0 451.796 4.590 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545772756 1067061943 /nfs/dbraw/zinc/06/19/43/1067061943.db2.gz LEOMPWWPIOUPGS-SFHVURJKSA-N 0 0 457.619 4.883 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=Nc1ncnc2ccc(I)cc21 ZINC001458443246 1067062089 /nfs/dbraw/zinc/06/20/89/1067062089.db2.gz BYOJVCTWALBULF-UHFFFAOYSA-N 0 0 457.319 4.653 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1)OC ZINC001545772849 1067062159 /nfs/dbraw/zinc/06/21/59/1067062159.db2.gz ONVQMDGJDJHKSX-OAQYLSRUSA-N 0 0 486.638 4.797 20 0 JJADRN Cc1c(Br)ccc(O)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001450233607 1067062364 /nfs/dbraw/zinc/06/23/64/1067062364.db2.gz ZNNVUJPEVOQBCR-SNVBAGLBSA-N 0 0 458.139 4.762 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](OC)C(C)(C)C1)OC ZINC001545772893 1067062711 /nfs/dbraw/zinc/06/27/11/1067062711.db2.gz PSXJXVBGUKRBKZ-OAHLLOKOSA-N 0 0 471.465 4.836 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC(=O)NC)CC1)OC ZINC001545773070 1067063320 /nfs/dbraw/zinc/06/33/20/1067063320.db2.gz VSEBIPWTYJTXDX-GOSISDBHSA-N 0 0 487.714 4.689 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001450243741 1067063481 /nfs/dbraw/zinc/06/34/81/1067063481.db2.gz XSHWTQDFXYJHMN-QGZVFWFLSA-N 0 0 458.990 4.886 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(=O)OC)C1)SC ZINC001545773117 1067063423 /nfs/dbraw/zinc/06/34/23/1067063423.db2.gz XMHKBGIUPRZCTC-CYBMUJFWSA-N 0 0 487.489 4.690 20 0 JJADRN CN(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc(C(F)(F)F)c1 ZINC001450242638 1067063509 /nfs/dbraw/zinc/06/35/09/1067063509.db2.gz WBULEPSFXRWGSB-QGZVFWFLSA-N 0 0 455.521 4.823 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241224 1067063599 /nfs/dbraw/zinc/06/35/99/1067063599.db2.gz QRRLQYQXPFQUII-FCHUYYIVSA-N 0 0 459.606 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)C1 ZINC001450247223 1067063798 /nfs/dbraw/zinc/06/37/98/1067063798.db2.gz CCXBPIQPILRJMK-VXKWHMMOSA-N 0 0 456.627 4.621 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545773172 1067063951 /nfs/dbraw/zinc/06/39/51/1067063951.db2.gz ZPXGNXUARQXNIJ-LJQANCHMSA-N 0 0 478.037 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)C1 ZINC001450247198 1067064084 /nfs/dbraw/zinc/06/40/84/1067064084.db2.gz CCXBPIQPILRJMK-FCHUYYIVSA-N 0 0 456.627 4.621 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)SC ZINC001545774023 1067064217 /nfs/dbraw/zinc/06/42/17/1067064217.db2.gz BKQGQOQAEVGFLU-HNNXBMFYSA-N 0 0 491.027 4.988 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1Cl ZINC001450251885 1067064405 /nfs/dbraw/zinc/06/44/05/1067064405.db2.gz VOVHDBKGDMQEMV-IPZZXCBHSA-N 0 0 454.970 4.851 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)SC ZINC001545774112 1067064718 /nfs/dbraw/zinc/06/47/18/1067064718.db2.gz DTRHZRDTQVKSJX-HTAPYJJXSA-N 0 0 474.671 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)C1 ZINC001450256294 1067064780 /nfs/dbraw/zinc/06/47/80/1067064780.db2.gz LYCIVUDEJBAETR-MOUTVQLLSA-N 0 0 456.627 4.692 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1)SC ZINC001545774113 1067064871 /nfs/dbraw/zinc/06/48/71/1067064871.db2.gz DTRHZRDTQVKSJX-JTSKRJEESA-N 0 0 474.671 4.888 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@]2(CCOC2)C1)OC ZINC001545774153 1067065242 /nfs/dbraw/zinc/06/52/42/1067065242.db2.gz FTXDAOKBMGCSED-QFIPXVFZSA-N 0 0 493.446 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)C1 ZINC001450256324 1067065375 /nfs/dbraw/zinc/06/53/75/1067065375.db2.gz LYCIVUDEJBAETR-UEQSERJNSA-N 0 0 456.627 4.692 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCC[C@H]([C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2)cn1 ZINC001450262857 1067066155 /nfs/dbraw/zinc/06/61/55/1067066155.db2.gz XUVKOAPBGDFIRO-VXKWHMMOSA-N 0 0 452.599 4.586 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)OC ZINC001545774349 1067066550 /nfs/dbraw/zinc/06/65/50/1067066550.db2.gz MOBGCRCGIXOQJB-QFIPXVFZSA-N 0 0 455.647 4.553 20 0 JJADRN C[C@@H](NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)c1ccc(C(F)(F)F)nc1Cl ZINC001450265832 1067066724 /nfs/dbraw/zinc/06/67/24/1067066724.db2.gz CCVLERKJKHAUBO-LLVKDONJSA-N 0 0 458.868 4.665 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)SC ZINC001545774416 1067066886 /nfs/dbraw/zinc/06/68/86/1067066886.db2.gz OTNZEJUNYPMFMG-LJQANCHMSA-N 0 0 489.093 4.965 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CC[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001450269665 1067066941 /nfs/dbraw/zinc/06/69/41/1067066941.db2.gz DUPZOXGJZORDFO-YLJYHZDGSA-N 0 0 457.596 4.680 20 0 JJADRN O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450269901 1067067034 /nfs/dbraw/zinc/06/70/34/1067067034.db2.gz KGLZBPSNPFKNFA-NRFANRHFSA-N 0 0 456.514 4.689 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3CC[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)c(C)c2c1 ZINC001450271888 1067067570 /nfs/dbraw/zinc/06/75/70/1067067570.db2.gz GZUNRFFKYRQDMK-TZIWHRDSSA-N 0 0 454.567 4.734 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC001546100937 1067067737 /nfs/dbraw/zinc/06/77/37/1067067737.db2.gz OEYOTOTVUAWCCY-MRXNPFEDSA-N 0 0 453.568 4.818 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nccnc2C)CC1)OC ZINC001545774601 1067067973 /nfs/dbraw/zinc/06/79/73/1067067973.db2.gz UYTLNYRAYDOHOU-UHFFFAOYSA-N 0 0 491.684 4.873 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)C[C@H]1CSc2ccccc2O1)Cc1ccccc1 ZINC001450274120 1067067925 /nfs/dbraw/zinc/06/79/25/1067067925.db2.gz IKPIUWYFGMAHDY-UXHICEINSA-N 0 0 456.608 4.524 20 0 JJADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001450274879 1067067962 /nfs/dbraw/zinc/06/79/62/1067067962.db2.gz JGSMIMKXDLFWSR-SFHVURJKSA-N 0 0 457.537 4.557 20 0 JJADRN CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(I)c(O)c1 ZINC001545775121 1067068170 /nfs/dbraw/zinc/06/81/70/1067068170.db2.gz MICZUOPSIFUSLN-UHFFFAOYSA-N 0 0 453.320 4.804 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001450277879 1067068344 /nfs/dbraw/zinc/06/83/44/1067068344.db2.gz NEIZCOKRSXGADW-UNMCSNQZSA-N 0 0 458.599 4.686 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1)SC ZINC001545775604 1067068669 /nfs/dbraw/zinc/06/86/69/1067068669.db2.gz DZFHKZZQPFTVTP-UHFFFAOYSA-N 0 0 468.671 4.794 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)OC ZINC001545775521 1067068799 /nfs/dbraw/zinc/06/87/99/1067068799.db2.gz AZXLLYHFUMYSFI-XLIONFOSSA-N 0 0 477.447 4.918 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1csc(Br)c1)Cc1ccccc1 ZINC001450279213 1067068741 /nfs/dbraw/zinc/06/87/41/1067068741.db2.gz OKPYHLXGPSXMFZ-MRXNPFEDSA-N 0 0 453.402 4.719 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)Cc1ccccc1 ZINC001450283758 1067068972 /nfs/dbraw/zinc/06/89/72/1067068972.db2.gz URQVIBOLGUFOCG-HXUWFJFHSA-N 0 0 455.580 4.540 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545775659 1067069089 /nfs/dbraw/zinc/06/90/89/1067069089.db2.gz GLMQYTIMYJGQDM-IBGZPJMESA-N 0 0 457.619 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545775654 1067069100 /nfs/dbraw/zinc/06/91/00/1067069100.db2.gz GJBBNFFCUXULED-FQEVSTJZSA-N 0 0 471.646 4.844 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1c(C)nn(C)c1C)OC ZINC001545775619 1067069138 /nfs/dbraw/zinc/06/91/38/1067069138.db2.gz FEYMQLPUKTUAIG-UHFFFAOYSA-N 0 0 461.614 4.685 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC(c3ccccn3)CC2)cc1 ZINC001458465482 1067069111 /nfs/dbraw/zinc/06/91/11/1067069111.db2.gz CPOKGGOLLVCREF-UHFFFAOYSA-N 0 0 452.601 4.656 20 0 JJADRN COc1cc(Br)cc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC001458465141 1067069245 /nfs/dbraw/zinc/06/92/45/1067069245.db2.gz AXLCUSVEXSSTGV-GOSISDBHSA-N 0 0 453.745 4.679 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)c2)o1 ZINC001458465391 1067069341 /nfs/dbraw/zinc/06/93/41/1067069341.db2.gz FVBKOFLJVDRBNR-UHFFFAOYSA-N 0 0 452.511 4.833 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1)SC ZINC001545775704 1067069544 /nfs/dbraw/zinc/06/95/44/1067069544.db2.gz IBLBQBGTXZPDEC-UHFFFAOYSA-N 0 0 466.655 4.507 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001458467613 1067069773 /nfs/dbraw/zinc/06/97/73/1067069773.db2.gz PKIVQYBHSYEZED-KRWDZBQOSA-N 0 0 457.958 4.983 20 0 JJADRN COc1cc(Br)cc(NC(=O)C2(c3cc(Br)ccc3OC)CC2)c1 ZINC001458468677 1067069979 /nfs/dbraw/zinc/06/99/79/1067069979.db2.gz DBOXOLGZVCMYCB-UHFFFAOYSA-N 0 0 455.146 4.899 20 0 JJADRN CNC(=O)[C@H](CNc1nc2cc(Br)ccc2o1)Cc1ccc(C(F)(F)F)cc1 ZINC001458468900 1067070028 /nfs/dbraw/zinc/07/00/28/1067070028.db2.gz VAWGHWMKQTYPSI-LBPRGKRZSA-N 0 0 456.262 4.626 20 0 JJADRN COc1ccc(Cl)cc1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458470539 1067070396 /nfs/dbraw/zinc/07/03/96/1067070396.db2.gz ORSASFPLELXJLA-UHFFFAOYSA-N 0 0 452.654 4.939 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545776005 1067070474 /nfs/dbraw/zinc/07/04/74/1067070474.db2.gz SFZROERUJILFCW-HXUWFJFHSA-N 0 0 487.645 4.605 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C)C1)SC ZINC001545775985 1067070501 /nfs/dbraw/zinc/07/05/01/1067070501.db2.gz RJDVYSAIWOLRNK-HNNXBMFYSA-N 0 0 453.450 4.855 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545776004 1067070551 /nfs/dbraw/zinc/07/05/51/1067070551.db2.gz SFZROERUJILFCW-FQEVSTJZSA-N 0 0 487.645 4.605 20 0 JJADRN Cn1cc(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC001458471839 1067070605 /nfs/dbraw/zinc/07/06/05/1067070605.db2.gz URGRBXQTJXLIIJ-UHFFFAOYSA-N 0 0 459.184 4.634 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)O[C@@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC001458471912 1067070946 /nfs/dbraw/zinc/07/09/46/1067070946.db2.gz VRWWLZCAPGENJU-GOSISDBHSA-N 0 0 450.347 4.906 20 0 JJADRN Cn1cc([C@@H]2C[C@@H](NC(=O)CS[C@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)cn1 ZINC001450311306 1067070910 /nfs/dbraw/zinc/07/09/10/1067070910.db2.gz QCILYPIIYSADOS-WPFOTENUSA-N 0 0 456.011 4.933 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001546021653 1067071087 /nfs/dbraw/zinc/07/10/87/1067071087.db2.gz MBQHORPMFOHCSY-WIOPSUGQSA-N 0 0 455.620 4.911 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc1 ZINC001546021373 1067071373 /nfs/dbraw/zinc/07/13/73/1067071373.db2.gz GMGDMEKGAUEYAP-DHIUTWEWSA-N 0 0 453.583 4.866 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC001450337868 1067071435 /nfs/dbraw/zinc/07/14/35/1067071435.db2.gz SKBFTFRGYAXQSX-UHFFFAOYSA-N 0 0 450.539 4.596 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3CCN(c4ccc(Cl)cc4)CC3(C)C)n2)c1 ZINC001450334701 1067071576 /nfs/dbraw/zinc/07/15/76/1067071576.db2.gz KKTSFHUGQPOINA-UHFFFAOYSA-N 0 0 456.999 4.918 20 0 JJADRN COc1ccc(COCC(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)cc1 ZINC001458475492 1067071455 /nfs/dbraw/zinc/07/14/55/1067071455.db2.gz GYWZXGVZZYJFMZ-UHFFFAOYSA-N 0 0 451.470 4.707 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1C(F)(F)F ZINC001450341726 1067071783 /nfs/dbraw/zinc/07/17/83/1067071783.db2.gz CZQICOAOPUFQJG-INIZCTEOSA-N 0 0 458.267 4.970 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC001450342425 1067071850 /nfs/dbraw/zinc/07/18/50/1067071850.db2.gz GDPPRIWHOQCHKQ-QGZVFWFLSA-N 0 0 458.267 4.970 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC001450344409 1067071926 /nfs/dbraw/zinc/07/19/26/1067071926.db2.gz IIVNANXEWWMNFR-CYBMUJFWSA-N 0 0 453.547 4.638 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545777713 1067072154 /nfs/dbraw/zinc/07/21/54/1067072154.db2.gz KAYBCRXDAVNQCS-ZWKOTPCHSA-N 0 0 476.691 4.697 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545777710 1067072164 /nfs/dbraw/zinc/07/21/64/1067072164.db2.gz KAYBCRXDAVNQCS-MSOLQXFVSA-N 0 0 476.691 4.697 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N1CC2(C1)CCCCC2)c1ccccc1 ZINC001450348791 1067072372 /nfs/dbraw/zinc/07/23/72/1067072372.db2.gz KCCNIKMLGJUMAC-JOCHJYFZSA-N 0 0 455.396 4.642 20 0 JJADRN CCOC(=O)c1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)s1 ZINC001458479700 1067072287 /nfs/dbraw/zinc/07/22/87/1067072287.db2.gz SETBLQLJHDRZCA-RDJZCZTQSA-N 0 0 479.574 4.673 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC001458480543 1067072618 /nfs/dbraw/zinc/07/26/18/1067072618.db2.gz RLMMSKMQKAFTFI-OYHNWAKOSA-N 0 0 456.464 4.670 20 0 JJADRN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458480529 1067072823 /nfs/dbraw/zinc/07/28/23/1067072823.db2.gz CDBYLJLRWNRCOO-KSZLIROESA-N 0 0 457.279 4.815 20 0 JJADRN CCO/C=C\[C@](O)(CNC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001450360129 1067073302 /nfs/dbraw/zinc/07/33/02/1067073302.db2.gz ZOVVWMAJFOMGMW-TUYSUELWSA-N 0 0 453.244 4.530 20 0 JJADRN Cn1c(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc2cc(C(F)(F)F)ccc21 ZINC001450356975 1067073403 /nfs/dbraw/zinc/07/34/03/1067073403.db2.gz XBCZQVYKOOXZHT-HNNXBMFYSA-N 0 0 459.237 4.562 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCc2cccc(F)c2C1 ZINC001458481436 1067073250 /nfs/dbraw/zinc/07/32/50/1067073250.db2.gz JVKQJMOCBCQZCG-OAHLLOKOSA-N 0 0 451.323 4.974 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(Br)cc2C1)SC ZINC001545779097 1067073828 /nfs/dbraw/zinc/07/38/28/1067073828.db2.gz CLNGUQOSQIUGJP-UHFFFAOYSA-N 0 0 489.487 4.926 20 0 JJADRN CCc1nc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nn1-c1ccccc1Cl ZINC001546022229 1067074012 /nfs/dbraw/zinc/07/40/12/1067074012.db2.gz ZSYSUVOUJZCVCM-SIKLNZKXSA-N 0 0 452.986 4.992 20 0 JJADRN Cc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)c(C)n1[C@@H]1CCCOC1 ZINC001450376775 1067074061 /nfs/dbraw/zinc/07/40/61/1067074061.db2.gz CKJUJTIKCSJKBZ-GOSISDBHSA-N 0 0 457.372 4.872 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001450378834 1067074143 /nfs/dbraw/zinc/07/41/43/1067074143.db2.gz HQTYUTCLWRFNOS-MRXNPFEDSA-N 0 0 454.246 4.541 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545779335 1067074158 /nfs/dbraw/zinc/07/41/58/1067074158.db2.gz LFEXBKAHMALESN-KRWDZBQOSA-N 0 0 499.582 4.541 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001546022479 1067074159 /nfs/dbraw/zinc/07/41/59/1067074159.db2.gz GFAYSCYVDQVYGV-QGZVFWFLSA-N 0 0 469.655 4.932 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)SC ZINC001545779434 1067074396 /nfs/dbraw/zinc/07/43/96/1067074396.db2.gz OABURBVIDRURLD-SFHVURJKSA-N 0 0 471.700 4.602 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1N1CCCC1)SC ZINC001545779507 1067074701 /nfs/dbraw/zinc/07/47/01/1067074701.db2.gz QJPCKPWOHBOUOA-UHFFFAOYSA-N 0 0 467.687 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)C1 ZINC001450380079 1067074703 /nfs/dbraw/zinc/07/47/03/1067074703.db2.gz MEMAWGIMJJHEQP-UXHICEINSA-N 0 0 451.007 4.680 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001546022359 1067074731 /nfs/dbraw/zinc/07/47/31/1067074731.db2.gz DAHCHPSLUMNPOJ-CTNGQTDRSA-N 0 0 485.654 4.620 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N(C)OC1CCCC1)NC(=O)OC(C)(C)C ZINC001545779571 1067074877 /nfs/dbraw/zinc/07/48/77/1067074877.db2.gz SMHUZRLCUCYWJX-UHFFFAOYSA-N 0 0 458.607 4.734 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545779756 1067075298 /nfs/dbraw/zinc/07/52/98/1067075298.db2.gz ZRMVCGRVSMPDOT-SESVDKBCSA-N 0 0 485.677 4.777 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCc1cccs1)SC ZINC001545780629 1067075831 /nfs/dbraw/zinc/07/58/31/1067075831.db2.gz CCIDEJDSRLHXDQ-UHFFFAOYSA-N 0 0 496.706 4.854 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)n2)c1 ZINC001450397530 1067076010 /nfs/dbraw/zinc/07/60/10/1067076010.db2.gz IBIQLYUKTXEKKF-DEOSSOPVSA-N 0 0 451.910 4.941 20 0 JJADRN Cc1cc(C(=O)NC2(CCOCc3ccccc3)CC2)nn1-c1ccc(Br)cc1 ZINC001458502652 1067076159 /nfs/dbraw/zinc/07/61/59/1067076159.db2.gz VFEPVEIBKTWSIJ-UHFFFAOYSA-N 0 0 454.368 4.813 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001546022507 1067076241 /nfs/dbraw/zinc/07/62/41/1067076241.db2.gz GXAKYULOVRONSH-LAUBAEHRSA-N 0 0 473.021 4.698 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001546022508 1067076314 /nfs/dbraw/zinc/07/63/14/1067076314.db2.gz GXAKYULOVRONSH-UTKZUKDTSA-N 0 0 473.021 4.698 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1)OC ZINC001545780765 1067076298 /nfs/dbraw/zinc/07/62/98/1067076298.db2.gz HKFWSUILPODXDZ-UHFFFAOYSA-N 0 0 481.616 4.567 20 0 JJADRN C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccc(F)cc1OC(F)F ZINC001458503587 1067076712 /nfs/dbraw/zinc/07/67/12/1067076712.db2.gz JDXNXWFYAGQAAZ-LLVKDONJSA-N 0 0 454.246 4.866 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)CCCC2)c(C)c1 ZINC001450404637 1067076912 /nfs/dbraw/zinc/07/69/12/1067076912.db2.gz QOMBWUMVPOHYQF-JOCHJYFZSA-N 0 0 454.615 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001450405364 1067077073 /nfs/dbraw/zinc/07/70/73/1067077073.db2.gz GFFZKADDBJKSOO-MCNSXXNHSA-N 0 0 452.517 4.846 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)cc1 ZINC001450405161 1067077090 /nfs/dbraw/zinc/07/70/90/1067077090.db2.gz VYYLUBJSXASFME-UHFFFAOYSA-N 0 0 452.580 4.545 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 ZINC001458505399 1067077338 /nfs/dbraw/zinc/07/73/38/1067077338.db2.gz YNFZLCXUSCPYNZ-KRWDZBQOSA-N 0 0 457.621 4.518 20 0 JJADRN O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC(=O)Nc2cc(Br)ccc21 ZINC001458505509 1067077387 /nfs/dbraw/zinc/07/73/87/1067077387.db2.gz KNRBEIBPJDKTLL-UHFFFAOYSA-N 0 0 458.699 4.889 20 0 JJADRN CC(C)[C@@H](O)[C@@H](Nc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505384 1067077419 /nfs/dbraw/zinc/07/74/19/1067077419.db2.gz RZAJUEBNHWPJFC-VQTJNVASSA-N 0 0 452.356 4.748 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 ZINC001458505401 1067077530 /nfs/dbraw/zinc/07/75/30/1067077530.db2.gz YNFZLCXUSCPYNZ-QGZVFWFLSA-N 0 0 457.621 4.518 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001545781309 1067077552 /nfs/dbraw/zinc/07/75/52/1067077552.db2.gz AELVSHINXRPKSD-RVDMUPIBSA-N 0 0 452.860 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC001450409260 1067077793 /nfs/dbraw/zinc/07/77/93/1067077793.db2.gz LJWWYSLUSMDKCI-APWZRJJASA-N 0 0 454.970 4.886 20 0 JJADRN CC(C)[C@@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC001458505958 1067077895 /nfs/dbraw/zinc/07/78/95/1067077895.db2.gz NIYXXTIKSBVTGH-GOSISDBHSA-N 0 0 456.511 4.949 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)S[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545782137 1067077976 /nfs/dbraw/zinc/07/79/76/1067077976.db2.gz FMWWYFPHVFLFAZ-IAGOWNOFSA-N 0 0 451.681 4.959 20 0 JJADRN O=Cc1cc(Br)cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC001545783137 1067078455 /nfs/dbraw/zinc/07/84/55/1067078455.db2.gz HIRBOGCXLDOBLA-UHFFFAOYSA-N 0 0 455.283 4.583 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(F)cc1 ZINC001450415119 1067078439 /nfs/dbraw/zinc/07/84/39/1067078439.db2.gz QYPZFBGHEBCZTJ-GCJKJVERSA-N 0 0 456.562 4.572 20 0 JJADRN COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)N2CC(C3CC3)C2)cc1OC ZINC001450412912 1067078560 /nfs/dbraw/zinc/07/85/60/1067078560.db2.gz PCWPLMLYRWKNOA-VXLYETTFSA-N 0 0 459.489 4.723 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545783750 1067078929 /nfs/dbraw/zinc/07/89/29/1067078929.db2.gz BITAINYUNGPDKI-IBGZPJMESA-N 0 0 489.686 4.880 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC001458515080 1067079191 /nfs/dbraw/zinc/07/91/91/1067079191.db2.gz JUCSYUNKXBJDBC-CYFREDJKSA-N 0 0 452.595 4.545 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)OC ZINC001545783822 1067079113 /nfs/dbraw/zinc/07/91/13/1067079113.db2.gz DAKBQIOOSSWZGK-HSALFYBXSA-N 0 0 463.667 4.690 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1cc(I)ccc1F ZINC001458522038 1067079795 /nfs/dbraw/zinc/07/97/95/1067079795.db2.gz URKGCTUBYIVYAU-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN Cc1ccc(Br)c(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC001458520326 1067079894 /nfs/dbraw/zinc/07/98/94/1067079894.db2.gz CZTPHMVJLOSANR-UHFFFAOYSA-N 0 0 458.381 4.970 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(COC)CC1 ZINC001546022699 1067080063 /nfs/dbraw/zinc/08/00/63/1067080063.db2.gz KYFXCVRATDFOGY-UHFFFAOYSA-N 0 0 469.655 4.791 20 0 JJADRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001458523698 1067080233 /nfs/dbraw/zinc/08/02/33/1067080233.db2.gz VABFJOBFJQMMEV-UHFFFAOYSA-N 0 0 454.324 4.964 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001546022728 1067080284 /nfs/dbraw/zinc/08/02/84/1067080284.db2.gz LQHOMYOZRXKZCF-UNMCSNQZSA-N 0 0 496.656 4.737 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)SC ZINC001545784428 1067080902 /nfs/dbraw/zinc/08/09/02/1067080902.db2.gz SQYPXTMXNNKVSO-ROUUACIJSA-N 0 0 467.680 4.545 20 0 JJADRN COc1ccc(SCCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC ZINC001458526261 1067081075 /nfs/dbraw/zinc/08/10/75/1067081075.db2.gz GUSADLQRKDQFSU-UHFFFAOYSA-N 0 0 450.560 4.755 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c(C)n1 ZINC001458525795 1067081145 /nfs/dbraw/zinc/08/11/45/1067081145.db2.gz MJLRVBQHLUSOAC-RBNVVWFDSA-N 0 0 457.018 4.746 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450449655 1067081077 /nfs/dbraw/zinc/08/10/77/1067081077.db2.gz ZLNURDRLAHXTIZ-FPOVZHCZSA-N 0 0 452.389 4.648 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450449666 1067081106 /nfs/dbraw/zinc/08/11/06/1067081106.db2.gz ZLNURDRLAHXTIZ-TZIWHRDSSA-N 0 0 452.389 4.648 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)OC ZINC001545784531 1067081124 /nfs/dbraw/zinc/08/11/24/1067081124.db2.gz VHVMNCSHDFWWAZ-VQTJNVASSA-N 0 0 461.676 4.835 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)OC ZINC001545784494 1067081137 /nfs/dbraw/zinc/08/11/37/1067081137.db2.gz UNONVKJEJPWIDB-GMAHTHKFSA-N 0 0 491.076 4.981 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)SC ZINC001545784665 1067081219 /nfs/dbraw/zinc/08/12/19/1067081219.db2.gz YATMOBVPEDANLK-UHFFFAOYSA-N 0 0 459.660 4.640 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1)SC ZINC001545784612 1067081246 /nfs/dbraw/zinc/08/12/46/1067081246.db2.gz WVYWJOIEWDXWHD-PMACEKPBSA-N 0 0 495.734 4.930 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001458527041 1067081470 /nfs/dbraw/zinc/08/14/70/1067081470.db2.gz DNXCUQUIPIFPRC-GOSISDBHSA-N 0 0 458.990 4.724 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001450451597 1067081418 /nfs/dbraw/zinc/08/14/18/1067081418.db2.gz SIDMSGFECFGYIG-HNNXBMFYSA-N 0 0 454.792 4.982 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCOC(F)F)CCO1 ZINC001546101714 1067081614 /nfs/dbraw/zinc/08/16/14/1067081614.db2.gz JPTOSFUPICSNED-HXUWFJFHSA-N 0 0 460.978 4.858 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001458528598 1067081856 /nfs/dbraw/zinc/08/18/56/1067081856.db2.gz AWPNRKDRAHOADW-UHFFFAOYSA-N 0 0 450.897 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458530478 1067082288 /nfs/dbraw/zinc/08/22/88/1067082288.db2.gz YSAKALBLQYXBHX-FGZHOGPDSA-N 0 0 451.567 4.639 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001546023071 1067082463 /nfs/dbraw/zinc/08/24/63/1067082463.db2.gz VIQSOCLZMVIQAZ-KRWDZBQOSA-N 0 0 459.388 4.846 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001546023086 1067082481 /nfs/dbraw/zinc/08/24/81/1067082481.db2.gz VOCYFEMHLOSJPR-ULQDDVLXSA-N 0 0 453.052 4.953 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458530483 1067082460 /nfs/dbraw/zinc/08/24/60/1067082460.db2.gz YSAKALBLQYXBHX-VXKWHMMOSA-N 0 0 451.567 4.639 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)SC ZINC001545786839 1067082648 /nfs/dbraw/zinc/08/26/48/1067082648.db2.gz XZPUDNJKKBQUKY-MRXNPFEDSA-N 0 0 486.608 4.761 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)CCO1 ZINC001546101807 1067082852 /nfs/dbraw/zinc/08/28/52/1067082852.db2.gz MBMOTJJYKHTPHE-CPJSRVTESA-N 0 0 473.618 4.614 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1)OC ZINC001545786909 1067082905 /nfs/dbraw/zinc/08/29/05/1067082905.db2.gz ZSFWUXGKHCXXJP-NRFANRHFSA-N 0 0 499.656 4.897 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545786802 1067082979 /nfs/dbraw/zinc/08/29/79/1067082979.db2.gz XEZKMMMDRCOJMZ-LJQANCHMSA-N 0 0 475.609 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)no3)cc2C1 ZINC001450467753 1067083152 /nfs/dbraw/zinc/08/31/52/1067083152.db2.gz IJNCRDLULHRIBJ-UHFFFAOYSA-N 0 0 453.470 4.863 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccccn2)c1 ZINC001458533211 1067083090 /nfs/dbraw/zinc/08/30/90/1067083090.db2.gz NYFXLUKTGPNMHU-SBUREZEXSA-N 0 0 454.357 4.956 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)OC ZINC001545787936 1067083216 /nfs/dbraw/zinc/08/32/16/1067083216.db2.gz CAHBHSBKLUSUQR-XMMPIXPASA-N 0 0 464.601 4.994 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC001458534215 1067083473 /nfs/dbraw/zinc/08/34/73/1067083473.db2.gz WRGJSFRKCOMFJH-UTKZUKDTSA-N 0 0 450.620 4.574 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1)SC ZINC001545788013 1067083796 /nfs/dbraw/zinc/08/37/96/1067083796.db2.gz FQZVKVCNXCKABL-UHFFFAOYSA-N 0 0 457.688 4.797 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)N1CCC(CO)(c2ccccc2)CC1 ZINC001450477574 1067084033 /nfs/dbraw/zinc/08/40/33/1067084033.db2.gz XNCMKJLXUNMORG-UHFFFAOYSA-N 0 0 454.364 4.534 20 0 JJADRN CC(C)c1cccc(OCC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450475721 1067084217 /nfs/dbraw/zinc/08/42/17/1067084217.db2.gz RHLNXTJBTIPFEY-JWQCQUIFSA-N 0 0 450.579 4.742 20 0 JJADRN O=C(CCOc1ccccc1Cl)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450477882 1067084261 /nfs/dbraw/zinc/08/42/61/1067084261.db2.gz UBAIBCWMPIEDDW-UNMCSNQZSA-N 0 0 456.970 4.662 20 0 JJADRN C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc([S@](C)=O)cc1 ZINC001458538401 1067084327 /nfs/dbraw/zinc/08/43/27/1067084327.db2.gz PSXGSMOLFUKRIO-ZYSBOAIWSA-N 0 0 455.963 4.565 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001458538390 1067084371 /nfs/dbraw/zinc/08/43/71/1067084371.db2.gz PQWVLNWSIYLOGC-QGZVFWFLSA-N 0 0 455.486 4.743 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)SC ZINC001545788367 1067084511 /nfs/dbraw/zinc/08/45/11/1067084511.db2.gz RRSRIAWTXMQNAZ-HXUWFJFHSA-N 0 0 499.791 4.619 20 0 JJADRN COCCCS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 ZINC001458542482 1067084793 /nfs/dbraw/zinc/08/47/93/1067084793.db2.gz LHNFPZXCELCVOA-LTGZKZEYSA-N 0 0 459.564 4.877 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001545788504 1067084878 /nfs/dbraw/zinc/08/48/78/1067084878.db2.gz XGHWGYDOQNZCAK-HSZRJFAPSA-N 0 0 482.591 4.912 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)SC ZINC001545788597 1067085054 /nfs/dbraw/zinc/08/50/54/1067085054.db2.gz ZKQLHRRVPXUNPF-UHFFFAOYSA-N 0 0 486.730 4.729 20 0 JJADRN O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001546023460 1067085253 /nfs/dbraw/zinc/08/52/53/1067085253.db2.gz FCPIATFLYFLZHT-NRFANRHFSA-N 0 0 456.336 4.865 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545789290 1067085232 /nfs/dbraw/zinc/08/52/32/1067085232.db2.gz BJPBRDQVDTXYSB-JOCHJYFZSA-N 0 0 488.007 4.840 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ncnc2ccc(Br)cc21 ZINC001458543551 1067085257 /nfs/dbraw/zinc/08/52/57/1067085257.db2.gz QJOQLGQTELWREC-AWEZNQCLSA-N 0 0 457.155 4.575 20 0 JJADRN Cc1c(Cl)ccc2c1CN(c1cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c1Cl)CC2 ZINC001458545856 1067085298 /nfs/dbraw/zinc/08/52/98/1067085298.db2.gz OYWSIIXNYIBPFO-UHFFFAOYSA-N 0 0 455.267 4.824 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545789279 1067085399 /nfs/dbraw/zinc/08/53/99/1067085399.db2.gz BBFFLNDDVDYLRZ-OALUTQOASA-N 0 0 488.702 4.678 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545789281 1067085475 /nfs/dbraw/zinc/08/54/75/1067085475.db2.gz BBFFLNDDVDYLRZ-RTBURBONSA-N 0 0 488.702 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001450511134 1067085585 /nfs/dbraw/zinc/08/55/85/1067085585.db2.gz PRNQWJLZMQCSNC-LRDDRELGSA-N 0 0 450.860 4.552 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001458547160 1067085624 /nfs/dbraw/zinc/08/56/24/1067085624.db2.gz NBFLUNBPHKDHAP-LJQANCHMSA-N 0 0 456.743 4.810 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001458547157 1067085824 /nfs/dbraw/zinc/08/58/24/1067085824.db2.gz NBFLUNBPHKDHAP-IBGZPJMESA-N 0 0 456.743 4.810 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)O[C@H]3CCOc4c(F)cccc43)cc2)c1 ZINC001458546700 1067085854 /nfs/dbraw/zinc/08/58/54/1067085854.db2.gz FYJNPTUWBPTEBN-NRFANRHFSA-N 0 0 456.491 4.891 20 0 JJADRN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1Br ZINC001458549113 1067086217 /nfs/dbraw/zinc/08/62/17/1067086217.db2.gz JPCGISRVPYOECQ-ZDUSSCGKSA-N 0 0 454.276 4.756 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1)SC ZINC001545789643 1067086312 /nfs/dbraw/zinc/08/63/12/1067086312.db2.gz OGHZAJOCHJNUSC-UHFFFAOYSA-N 0 0 480.682 4.521 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1)SC ZINC001545789812 1067086443 /nfs/dbraw/zinc/08/64/43/1067086443.db2.gz UTQXRGCTKHLBDP-OAQYLSRUSA-N 0 0 472.699 4.931 20 0 JJADRN O=C(O[C@H]1CCOc2c(F)cccc21)c1c(Cl)ccc(I)c1F ZINC001458551298 1067086899 /nfs/dbraw/zinc/08/68/99/1067086899.db2.gz SDDNZRALJCZJAE-LBPRGKRZSA-N 0 0 450.606 4.903 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545789953 1067086984 /nfs/dbraw/zinc/08/69/84/1067086984.db2.gz ZKUWLKOEIJFNEW-VQTJNVASSA-N 0 0 470.662 4.972 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)ccc1O ZINC001450532785 1067087075 /nfs/dbraw/zinc/08/70/75/1067087075.db2.gz GDKVEQARFZSFEI-UHFFFAOYSA-N 0 0 450.520 4.875 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)O[C@@H](C)c3ccc(OC(F)(F)F)cc3)CCC(=O)N2C)cc1 ZINC001458558545 1067087375 /nfs/dbraw/zinc/08/73/75/1067087375.db2.gz BFBRTFLKGVSASA-UQIDSAAFSA-N 0 0 451.441 4.808 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)O[C@@H](C)c3ccc(OC(F)(F)F)cc3)CCC(=O)N2C)cc1 ZINC001458558549 1067087446 /nfs/dbraw/zinc/08/74/46/1067087446.db2.gz BFBRTFLKGVSASA-ZKYUUJBMSA-N 0 0 451.441 4.808 20 0 JJADRN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)[C@H]1CCCCN1Cc1ccncc1 ZINC001450537167 1067087595 /nfs/dbraw/zinc/08/75/95/1067087595.db2.gz CATZMKMAYJBTKY-GOSISDBHSA-N 0 0 457.397 4.961 20 0 JJADRN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1cccc(OC(F)F)c1 ZINC001458559445 1067087720 /nfs/dbraw/zinc/08/77/20/1067087720.db2.gz VNBMNZNGIDYBML-CQSZACIVSA-N 0 0 457.470 4.520 20 0 JJADRN C[C@H](OC(=O)c1cn(-c2ccccc2Br)nn1)c1ccc(OC(F)(F)F)cc1 ZINC001458559539 1067087776 /nfs/dbraw/zinc/08/77/76/1067087776.db2.gz MESYPTZVAHBTIA-NSHDSACASA-N 0 0 456.218 4.846 20 0 JJADRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001458561293 1067087836 /nfs/dbraw/zinc/08/78/36/1067087836.db2.gz YVKACLADYCBACT-HNNXBMFYSA-N 0 0 457.470 4.678 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791098 1067087788 /nfs/dbraw/zinc/08/77/88/1067087788.db2.gz HNADROAVTIRWCA-MRXNPFEDSA-N 0 0 494.731 4.659 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001450540818 1067087858 /nfs/dbraw/zinc/08/78/58/1067087858.db2.gz CGIWQHSZYZKKPV-ZDUSSCGKSA-N 0 0 455.477 4.773 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1)OC ZINC001545791008 1067087989 /nfs/dbraw/zinc/08/79/89/1067087989.db2.gz DUUWLMJJOGCQHB-UHFFFAOYSA-N 0 0 485.673 4.825 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545791056 1067088032 /nfs/dbraw/zinc/08/80/32/1067088032.db2.gz GBTCQHARYFIPBJ-UHFFFAOYSA-N 0 0 489.686 4.631 20 0 JJADRN O=C(Cc1cccnc1Br)Nc1ncc(-c2ccc(Br)cc2)s1 ZINC001450539822 1067087988 /nfs/dbraw/zinc/08/79/88/1067087988.db2.gz FTWGEEVCRHTFKY-UHFFFAOYSA-N 0 0 453.159 4.911 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)NCC3CCC(C)(C)CC3)cc2OC)cc1 ZINC001458564239 1067088096 /nfs/dbraw/zinc/08/80/96/1067088096.db2.gz PLOTVZVUCUWTIF-UHFFFAOYSA-N 0 0 454.567 4.668 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001458564514 1067088245 /nfs/dbraw/zinc/08/82/45/1067088245.db2.gz SBSZKKRQCFBSKX-KCJUWKMLSA-N 0 0 454.230 4.932 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545791259 1067088345 /nfs/dbraw/zinc/08/83/45/1067088345.db2.gz MJPMSBKZURTXHD-NRFANRHFSA-N 0 0 496.681 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1coc(-c2cccnc2)n1)c1ccc2ccccc2c1 ZINC001458567621 1067088455 /nfs/dbraw/zinc/08/84/55/1067088455.db2.gz HROGNQYWSDFYEJ-NRFANRHFSA-N 0 0 458.518 4.886 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCCC2)C(=O)C1)SC ZINC001545791212 1067088504 /nfs/dbraw/zinc/08/85/04/1067088504.db2.gz KUVBMOBPFKTVIX-UHFFFAOYSA-N 0 0 490.743 4.537 20 0 JJADRN CCC(CC)(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C(=O)OC(C)(C)C ZINC001458567570 1067088678 /nfs/dbraw/zinc/08/86/78/1067088678.db2.gz ICZQFZIXUWNZQB-UHFFFAOYSA-N 0 0 452.901 4.787 20 0 JJADRN C/C=C/c1ccc(OCC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 ZINC001458567976 1067088853 /nfs/dbraw/zinc/08/88/53/1067088853.db2.gz NMHARIVFWDFSQU-HWKANZROSA-N 0 0 458.864 4.760 20 0 JJADRN CC(C)(C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001450544582 1067088871 /nfs/dbraw/zinc/08/88/71/1067088871.db2.gz PQCNPPBJJYWNDP-ALTZYDRJSA-N 0 0 459.586 4.608 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1C(F)F ZINC001450546149 1067088946 /nfs/dbraw/zinc/08/89/46/1067088946.db2.gz LDTLPMQPDDOTGS-NSHDSACASA-N 0 0 456.456 4.673 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001458569119 1067089002 /nfs/dbraw/zinc/08/90/02/1067089002.db2.gz FKRQONLPDISIFY-CQSZACIVSA-N 0 0 459.486 4.888 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)=C2 ZINC001458568949 1067089172 /nfs/dbraw/zinc/08/91/72/1067089172.db2.gz UKQPAXXBWOFJGG-UHFFFAOYSA-N 0 0 456.848 4.514 20 0 JJADRN C[C@@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1nccn1-c1ccccc1 ZINC001450547808 1067089551 /nfs/dbraw/zinc/08/95/51/1067089551.db2.gz NYUSKVDYRYGSEJ-MRXNPFEDSA-N 0 0 452.580 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cnc(-c4ccccc4)s3)cn2)C1 ZINC001545791670 1067089552 /nfs/dbraw/zinc/08/95/52/1067089552.db2.gz BLKFGSPBMSQTDS-SFHVURJKSA-N 0 0 453.568 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(OCc4ccccc4F)CC3)cc21 ZINC001545791795 1067089653 /nfs/dbraw/zinc/08/96/53/1067089653.db2.gz GOIRZDNRICKCTO-UHFFFAOYSA-N 0 0 454.542 4.945 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCC(OCc4ccccc4F)CC3)[nH]n2)c1C ZINC001545792312 1067089809 /nfs/dbraw/zinc/08/98/09/1067089809.db2.gz WCSFGUFBQLUZDY-UHFFFAOYSA-N 0 0 453.562 4.651 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccc2ccccc2c1 ZINC001458569568 1067089612 /nfs/dbraw/zinc/08/96/12/1067089612.db2.gz YGAJKBLJQBUYLS-OAQYLSRUSA-N 0 0 458.514 4.942 20 0 JJADRN CCOC(=O)c1nc(NCCN(Cc2ccccc2)c2ccccn2)ccc1Br ZINC001458571511 1067089884 /nfs/dbraw/zinc/08/98/84/1067089884.db2.gz FNYUGQBEJWMFML-UHFFFAOYSA-N 0 0 455.356 4.535 20 0 JJADRN COC(=O)c1oc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1C ZINC001458571214 1067089914 /nfs/dbraw/zinc/08/99/14/1067089914.db2.gz YBRSLJGRBYZAOH-IBGZPJMESA-N 0 0 452.507 4.524 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2F)C1)SC ZINC001545792438 1067090252 /nfs/dbraw/zinc/09/02/52/1067090252.db2.gz ADOGHRIBHBARPO-QFIPXVFZSA-N 0 0 486.661 4.779 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1)OC ZINC001545792517 1067090365 /nfs/dbraw/zinc/09/03/65/1067090365.db2.gz CFRXKFGDTIPQGU-XMMPIXPASA-N 0 0 471.671 4.802 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1)SC ZINC001545792664 1067090413 /nfs/dbraw/zinc/09/04/13/1067090413.db2.gz IGYCARLELTZKPA-UHFFFAOYSA-N 0 0 487.714 4.700 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)CCO1 ZINC001546102204 1067090462 /nfs/dbraw/zinc/09/04/62/1067090462.db2.gz TYSLTXUGZDIQLP-OAQYLSRUSA-N 0 0 451.354 4.811 20 0 JJADRN O=c1c(Cl)c(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458579417 1067090475 /nfs/dbraw/zinc/09/04/75/1067090475.db2.gz KARBOONTTXOQCF-CZUORRHYSA-N 0 0 456.802 4.761 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)s1)OC ZINC001545792531 1067090454 /nfs/dbraw/zinc/09/04/54/1067090454.db2.gz DDPGIDLADLCAMU-UHFFFAOYSA-N 0 0 495.491 4.805 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2C)CCO1 ZINC001546102229 1067090631 /nfs/dbraw/zinc/09/06/31/1067090631.db2.gz UHLAUHHNUWQFLL-AWVRMFGXSA-N 0 0 497.684 4.914 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nc(C)c(C)s2)CCO1 ZINC001546102232 1067091345 /nfs/dbraw/zinc/09/13/45/1067091345.db2.gz UHRUXFBFXUWTMD-FPGHNAPASA-N 0 0 461.676 4.518 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1)OC ZINC001545792865 1067091287 /nfs/dbraw/zinc/09/12/87/1067091287.db2.gz PDKXAIMVEWKKPT-JOCHJYFZSA-N 0 0 480.657 4.797 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)ccc1Br ZINC001450559453 1067091551 /nfs/dbraw/zinc/09/15/51/1067091551.db2.gz RIYPLODFJLLFIL-SFHVURJKSA-N 0 0 458.318 4.817 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cccc(C)c2)C1)OC ZINC001545792960 1067091762 /nfs/dbraw/zinc/09/17/62/1067091762.db2.gz SAAFWWICSYWRIN-OAQYLSRUSA-N 0 0 481.666 4.777 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001546024356 1067092275 /nfs/dbraw/zinc/09/22/75/1067092275.db2.gz BWFMGSNHIVGSNL-UTKZUKDTSA-N 0 0 456.612 4.533 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2=O)ccc1F ZINC001458598683 1067092589 /nfs/dbraw/zinc/09/25/89/1067092589.db2.gz CVEGKUUHYRHBAC-WZONZLPQSA-N 0 0 451.929 4.636 20 0 JJADRN OC1(C[C@@H]2CCCCN2c2ncnc3cc(I)sc32)CCCCC1 ZINC001458598395 1067092747 /nfs/dbraw/zinc/09/27/47/1067092747.db2.gz SUDAXGCPGPBNGQ-ZDUSSCGKSA-N 0 0 457.381 4.740 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c(Br)c1 ZINC001450595092 1067092737 /nfs/dbraw/zinc/09/27/37/1067092737.db2.gz HVWSFLXOOLPEDR-MRXNPFEDSA-N 0 0 456.384 4.882 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c(Br)c1 ZINC001450595056 1067092808 /nfs/dbraw/zinc/09/28/08/1067092808.db2.gz HVWSFLXOOLPEDR-INIZCTEOSA-N 0 0 456.384 4.882 20 0 JJADRN CCC(CC)(Cn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545794575 1067092994 /nfs/dbraw/zinc/09/29/94/1067092994.db2.gz HRMIKCVTKDRZLS-MHZLTWQESA-N 0 0 484.641 4.523 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001546024403 1067093188 /nfs/dbraw/zinc/09/31/88/1067093188.db2.gz CWNNDABNAYHTGB-UHFFFAOYSA-N 0 0 473.362 4.503 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCOC1)SC ZINC001545794710 1067093335 /nfs/dbraw/zinc/09/33/35/1067093335.db2.gz MDNFXQVYAARRSM-SLFFLAALSA-N 0 0 495.734 4.833 20 0 JJADRN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001450601405 1067093864 /nfs/dbraw/zinc/09/38/64/1067093864.db2.gz VDKYDQVTIQUDDL-LJQANCHMSA-N 0 0 459.656 4.571 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1O ZINC001450601528 1067094036 /nfs/dbraw/zinc/09/40/36/1067094036.db2.gz RXWPEGWGXANFQK-QGZVFWFLSA-N 0 0 452.429 4.818 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C)SC ZINC001545794875 1067094041 /nfs/dbraw/zinc/09/40/41/1067094041.db2.gz QLTVEURAVHKTED-UHFFFAOYSA-N 0 0 461.651 4.599 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458609935 1067094055 /nfs/dbraw/zinc/09/40/55/1067094055.db2.gz RAKNYYUUPXOIFS-ZDUSSCGKSA-N 0 0 459.337 4.955 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1(C)C ZINC001458609111 1067094217 /nfs/dbraw/zinc/09/42/17/1067094217.db2.gz HTLUPKNCCGJISX-GOSISDBHSA-N 0 0 450.295 4.842 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458610979 1067094388 /nfs/dbraw/zinc/09/43/88/1067094388.db2.gz URHRNXJFGYOIFJ-GDBMZVCRSA-N 0 0 459.461 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@]2(CCN(c3oc(-c4ccccc4)nc3C(F)(F)F)C2)C1 ZINC001458610148 1067094443 /nfs/dbraw/zinc/09/44/43/1067094443.db2.gz WSUKCVYBSMBLKQ-NRFANRHFSA-N 0 0 453.461 4.577 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1)SC ZINC001545795037 1067094729 /nfs/dbraw/zinc/09/47/29/1067094729.db2.gz VHHSMCMGNOWPBX-UHFFFAOYSA-N 0 0 498.672 4.948 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545795116 1067095127 /nfs/dbraw/zinc/09/51/27/1067095127.db2.gz YCMVCMXMSIJYJF-QFQXNSOFSA-N 0 0 474.621 4.657 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)no2)CCO1 ZINC001546102368 1067095335 /nfs/dbraw/zinc/09/53/35/1067095335.db2.gz XBLCRENOOJHMKH-OAQYLSRUSA-N 0 0 466.369 4.514 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795379 1067095322 /nfs/dbraw/zinc/09/53/22/1067095322.db2.gz FQUPJUHOAARJQY-RTWAWAEBSA-N 0 0 452.595 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(c2nc3cccc(OC(F)F)c3s2)C[C@H]1C(F)(F)F ZINC001458613146 1067095676 /nfs/dbraw/zinc/09/56/76/1067095676.db2.gz AHBBCFSRUVYZIE-MWLCHTKSSA-N 0 0 453.433 4.790 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H](C)CC(=O)OCc1ccccc1 ZINC001545795402 1067095633 /nfs/dbraw/zinc/09/56/33/1067095633.db2.gz GBALNXCKCHLXGB-HNNXBMFYSA-N 0 0 454.910 4.746 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC001458612905 1067095853 /nfs/dbraw/zinc/09/58/53/1067095853.db2.gz GCVJWCGHBIFEQV-XIKOKIGWSA-N 0 0 453.739 4.610 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1)SC ZINC001545796354 1067095796 /nfs/dbraw/zinc/09/57/96/1067095796.db2.gz BYDYXUXLASYWNK-SNJCGAMXSA-N 0 0 488.698 4.890 20 0 JJADRN O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450616198 1067096245 /nfs/dbraw/zinc/09/62/45/1067096245.db2.gz YCAGVHJHNNXELX-QZNHQXDQSA-N 0 0 458.396 4.929 20 0 JJADRN COc1ccccc1SCC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450617303 1067096276 /nfs/dbraw/zinc/09/62/76/1067096276.db2.gz ZGIJRSGXMYNSMV-KKSFZXQISA-N 0 0 450.398 4.522 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)c1nc(N)nc(Cl)c1N ZINC001458616997 1067096535 /nfs/dbraw/zinc/09/65/35/1067096535.db2.gz ZZQALNMVKXOJPD-UHFFFAOYSA-N 0 0 452.715 4.625 20 0 JJADRN O=C(c1cccc(Br)c1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450617368 1067096385 /nfs/dbraw/zinc/09/63/85/1067096385.db2.gz ZHSZZXMIRPIBEW-MAUKXSAKSA-N 0 0 453.174 4.797 20 0 JJADRN CCc1c(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cnn1C1CCCC1 ZINC001450621202 1067096620 /nfs/dbraw/zinc/09/66/20/1067096620.db2.gz GTHCAYXLUJUDLB-HXUWFJFHSA-N 0 0 457.924 4.822 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)CCO1 ZINC001546102416 1067096733 /nfs/dbraw/zinc/09/67/33/1067096733.db2.gz XUCZSCUSYAZFBN-YADHBBJMSA-N 0 0 451.036 4.802 20 0 JJADRN Cc1c(CC(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)nnn1-c1ccc(C)cc1 ZINC001458621527 1067097158 /nfs/dbraw/zinc/09/71/58/1067097158.db2.gz ZZKZVEVIQJSJNW-HNNXBMFYSA-N 0 0 457.456 4.637 20 0 JJADRN CC(C)[C@H](C(=O)O[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C)N1Cc2ccccc2C1=O ZINC001458621424 1067097186 /nfs/dbraw/zinc/09/71/86/1067097186.db2.gz ZRQVEHIPQDDUFK-JLTOFOAXSA-N 0 0 459.468 4.877 20 0 JJADRN O=C(CCOc1ccccc1Cl)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450629685 1067097307 /nfs/dbraw/zinc/09/73/07/1067097307.db2.gz VCPFXGSDDJPNBR-GOSISDBHSA-N 0 0 450.284 4.757 20 0 JJADRN O=C(Nc1ncccc1Cl)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001458622725 1067097643 /nfs/dbraw/zinc/09/76/43/1067097643.db2.gz IYHTUHUWXLWSME-UHFFFAOYSA-N 0 0 452.170 4.876 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CO)CC1)OC ZINC001545797947 1067097942 /nfs/dbraw/zinc/09/79/42/1067097942.db2.gz CJYWZCJGBUDOBS-RUZDIDTESA-N 0 0 465.642 4.852 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCCC[C@H]2c2ccccc2)cc1 ZINC001458625240 1067097894 /nfs/dbraw/zinc/09/78/94/1067097894.db2.gz GACYYNCJHACPCP-QFIPXVFZSA-N 0 0 454.592 4.679 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1)OC ZINC001545797970 1067098032 /nfs/dbraw/zinc/09/80/32/1067098032.db2.gz CSVOEEFELFUSPL-ICSRJNTNSA-N 0 0 493.446 4.548 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001546024636 1067098239 /nfs/dbraw/zinc/09/82/39/1067098239.db2.gz LYZNFOSJCPBGNR-UHFFFAOYSA-N 0 0 477.447 4.656 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)OC ZINC001545797974 1067098302 /nfs/dbraw/zinc/09/83/02/1067098302.db2.gz CTFBUAJSOXBVFP-FGZHOGPDSA-N 0 0 452.603 4.862 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)c2ccccn2)CCO1 ZINC001546102461 1067098298 /nfs/dbraw/zinc/09/82/98/1067098298.db2.gz YMRMNUNUCCLRGR-AREMUKBSSA-N 0 0 481.666 4.957 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1)OC ZINC001545798129 1067098357 /nfs/dbraw/zinc/09/83/57/1067098357.db2.gz GJKPEKAYALUPJU-RPWUZVMVSA-N 0 0 467.589 4.898 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)OC ZINC001545797976 1067098426 /nfs/dbraw/zinc/09/84/26/1067098426.db2.gz CTFBUAJSOXBVFP-YADHBBJMSA-N 0 0 452.603 4.862 20 0 JJADRN COc1ccc(C2(C(=O)NCc3cccc(-c4nc(CC(F)(F)F)no4)c3)CCCC2)cc1 ZINC001450641552 1067098687 /nfs/dbraw/zinc/09/86/87/1067098687.db2.gz JVJSFQDZKKHAJK-UHFFFAOYSA-N 0 0 459.468 4.978 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)OC ZINC001545798181 1067098903 /nfs/dbraw/zinc/09/89/03/1067098903.db2.gz GYBKAHFWLMSFLA-VXKWHMMOSA-N 0 0 474.049 4.641 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)[C@H]1c1ccccc1OC ZINC001450649515 1067098975 /nfs/dbraw/zinc/09/89/75/1067098975.db2.gz BWXHAQGMSUYSML-WVMBUTMQSA-N 0 0 458.002 4.833 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N3CC(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC001450655189 1067099040 /nfs/dbraw/zinc/09/90/40/1067099040.db2.gz CYMPNUHGKFHGKK-UHFFFAOYSA-N 0 0 459.468 4.788 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC(C)(C)C1)OC ZINC001545798254 1067099209 /nfs/dbraw/zinc/09/92/09/1067099209.db2.gz IBXVTEUWSODZHB-UZLBHIALSA-N 0 0 496.494 4.891 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@@H](C4CC4)C3)cc2)cc1 ZINC001450659188 1067099560 /nfs/dbraw/zinc/09/95/60/1067099560.db2.gz ONHIAGYRNXIVPP-JOCHJYFZSA-N 0 0 454.636 4.725 20 0 JJADRN Cc1ccc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1I ZINC001450664858 1067099758 /nfs/dbraw/zinc/09/97/58/1067099758.db2.gz VCUVLYQAWHPEBX-UHFFFAOYSA-N 0 0 459.249 4.933 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1)OC ZINC001545798376 1067099878 /nfs/dbraw/zinc/09/98/78/1067099878.db2.gz JYZFDHIKNABOLV-XMMPIXPASA-N 0 0 477.657 4.520 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(C)=O)CC1)OC ZINC001545798425 1067099961 /nfs/dbraw/zinc/09/99/61/1067099961.db2.gz KWVFNCAFJRXWLZ-JOCHJYFZSA-N 0 0 480.028 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC001450669838 1067100602 /nfs/dbraw/zinc/10/06/02/1067100602.db2.gz HLGGXZHJWZHSEA-HXUWFJFHSA-N 0 0 457.398 4.977 20 0 JJADRN CC(C)n1ncc2c1[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)CCC2 ZINC001458657313 1067101208 /nfs/dbraw/zinc/10/12/08/1067101208.db2.gz JYJUFOSMSWJOES-DWWCWUABSA-N 0 0 455.002 4.706 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC001458657447 1067101950 /nfs/dbraw/zinc/10/19/50/1067101950.db2.gz KTHFZZYBWPRVCQ-UHFFFAOYSA-N 0 0 458.905 4.908 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)OC ZINC001545798694 1067101881 /nfs/dbraw/zinc/10/18/81/1067101881.db2.gz POWLEHKCXVVQHD-KNQAVFIVSA-N 0 0 486.661 4.627 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 ZINC001458659571 1067102511 /nfs/dbraw/zinc/10/25/11/1067102511.db2.gz ZYVMYDXLDWKRHY-UHFFFAOYSA-N 0 0 450.545 4.845 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CCOC1)OC ZINC001545798852 1067102512 /nfs/dbraw/zinc/10/25/12/1067102512.db2.gz SHCJJEAOKYAQFS-YKSBVNFPSA-N 0 0 451.615 4.868 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001450681516 1067102607 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HPDGPXFOCSKPCB-UHFFFAOYSA-N 0 0 457.376 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3ccc(OC(F)(F)Cl)cc3)CC2)C1 ZINC001450692900 1067104090 /nfs/dbraw/zinc/10/40/90/1067104090.db2.gz PASBIUPOPCNLED-QGZVFWFLSA-N 0 0 458.933 4.964 20 0 JJADRN CCC(CC)(CNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1ccc(OC)c(OC)c1 ZINC001458668413 1067104482 /nfs/dbraw/zinc/10/44/82/1067104482.db2.gz VFTNHNJLXBSSBW-UHFFFAOYSA-N 0 0 450.535 4.782 20 0 JJADRN CCOC(=O)c1cnc(Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)nc1C ZINC001458669380 1067104957 /nfs/dbraw/zinc/10/49/57/1067104957.db2.gz RYTAZAMUAOIMBX-UHFFFAOYSA-N 0 0 455.312 4.720 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)cc1OC ZINC001458669917 1067105003 /nfs/dbraw/zinc/10/50/03/1067105003.db2.gz WYODNAZXRWDMDY-KRWDZBQOSA-N 0 0 452.345 4.963 20 0 JJADRN Cc1c(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cccc1N1C(=O)N[C@H](C)C1=O ZINC001450698319 1067105070 /nfs/dbraw/zinc/10/50/70/1067105070.db2.gz ZMAIHFWUFGWVJS-OAHLLOKOSA-N 0 0 451.567 4.993 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](CC)CC(F)(F)F)cc2)c1C(F)(F)F ZINC001458670296 1067105182 /nfs/dbraw/zinc/10/51/82/1067105182.db2.gz QMVSEGOAJLLXHB-LBPRGKRZSA-N 0 0 451.367 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCCc2cccc(OCc3ccccc3)c2)C1 ZINC001545799903 1067105547 /nfs/dbraw/zinc/10/55/47/1067105547.db2.gz WFSQQDSTHCNEAR-MHZLTWQESA-N 0 0 452.595 4.962 20 0 JJADRN CC[C@@H](CC(F)(F)F)NC(=O)c1csc(I)c1Br ZINC001458672041 1067105796 /nfs/dbraw/zinc/10/57/96/1067105796.db2.gz TXSAPWZEAGOFFW-YFKPBYRVSA-N 0 0 456.065 4.576 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC001458671638 1067105885 /nfs/dbraw/zinc/10/58/85/1067105885.db2.gz SGDRWPOTDQPJHG-MRXNPFEDSA-N 0 0 451.610 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC001450699022 1067106038 /nfs/dbraw/zinc/10/60/38/1067106038.db2.gz WMAUDVHXPUITRK-HNNXBMFYSA-N 0 0 455.368 4.697 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545800144 1067106140 /nfs/dbraw/zinc/10/61/40/1067106140.db2.gz BNRNKTOFHFXCQN-GMAHTHKFSA-N 0 0 455.647 4.621 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CCc2c(Cl)cccc2C1)OC ZINC001545800156 1067106269 /nfs/dbraw/zinc/10/62/69/1067106269.db2.gz BRDLYPUBRDNLSK-JOCHJYFZSA-N 0 0 455.006 4.793 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@H]3C[C@@H](OC(C)C)C3(C)C)cc2Br)no1 ZINC001458672779 1067106336 /nfs/dbraw/zinc/10/63/36/1067106336.db2.gz SKIPMDCPMALDRY-RBUKOAKNSA-N 0 0 451.361 4.646 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)OC ZINC001545800465 1067106850 /nfs/dbraw/zinc/10/68/50/1067106850.db2.gz HBLAIWANGILJMI-PXNSSMCTSA-N 0 0 459.601 4.850 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N(C)c1cccc(C)c1)OC ZINC001545800395 1067106882 /nfs/dbraw/zinc/10/68/82/1067106882.db2.gz FYKDIMAVQXORHL-OAQYLSRUSA-N 0 0 453.587 4.923 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](C)C1)OC ZINC001545800750 1067107472 /nfs/dbraw/zinc/10/74/72/1067107472.db2.gz LUCXAVHNTLVDMZ-HOIFWPIMSA-N 0 0 450.574 4.602 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccc4[nH]ccc4c3)C2=O)ccc1Br ZINC001458680349 1067107577 /nfs/dbraw/zinc/10/75/77/1067107577.db2.gz IBURAIOAJBSHOJ-AEVNEEFTSA-N 0 0 452.352 4.564 20 0 JJADRN Cc1cccc(OCCCC(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)c1 ZINC001458680401 1067107652 /nfs/dbraw/zinc/10/76/52/1067107652.db2.gz CYZJIQHCRCVFIO-NRFANRHFSA-N 0 0 459.384 4.537 20 0 JJADRN COc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccc1OC(C)C ZINC001458682630 1067108168 /nfs/dbraw/zinc/10/81/68/1067108168.db2.gz IFTFRRUBGRKOCV-UHFFFAOYSA-N 0 0 454.548 4.560 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1)OC ZINC001545800979 1067108685 /nfs/dbraw/zinc/10/86/85/1067108685.db2.gz OZPOZIQRVFVUMJ-XMMPIXPASA-N 0 0 485.648 4.879 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)OC ZINC001545801293 1067108772 /nfs/dbraw/zinc/10/87/72/1067108772.db2.gz ULZABVUKUJNVOP-REWPJTCUSA-N 0 0 452.578 4.709 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545801304 1067108802 /nfs/dbraw/zinc/10/88/02/1067108802.db2.gz UNXCOUGVSNFBKT-INIZCTEOSA-N 0 0 494.484 4.898 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1ccco1 ZINC001450709322 1067108837 /nfs/dbraw/zinc/10/88/37/1067108837.db2.gz QSYNQPOUBVGCED-OAHLLOKOSA-N 0 0 454.118 4.661 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC001458687580 1067109399 /nfs/dbraw/zinc/10/93/99/1067109399.db2.gz QGEOQCNABPCGFH-DYESRHJHSA-N 0 0 459.359 4.804 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(CC(C)C)cc3)C2=O)ccc1Br ZINC001458686148 1067109420 /nfs/dbraw/zinc/10/94/20/1067109420.db2.gz VAQGLHUJQVJMLU-JOCHJYFZSA-N 0 0 457.412 4.810 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001450714066 1067109449 /nfs/dbraw/zinc/10/94/49/1067109449.db2.gz YTTQUBAOMJLJPF-FQEVSTJZSA-N 0 0 457.434 4.611 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1)OC ZINC001545801627 1067109870 /nfs/dbraw/zinc/10/98/70/1067109870.db2.gz ZJGKVWURCIQSNE-RPLLCQBOSA-N 0 0 481.616 4.727 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(Br)cc2C1)OC ZINC001545801527 1067109898 /nfs/dbraw/zinc/10/98/98/1067109898.db2.gz XLHZMXKQQAIEMW-OAQYLSRUSA-N 0 0 487.446 4.803 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(Br)cc3nc[nH]c32)[C@@H](C)C2CC2)c(OC)c1 ZINC001450717680 1067110026 /nfs/dbraw/zinc/11/00/26/1067110026.db2.gz VYSOOUYRPVCTIA-ZDUSSCGKSA-N 0 0 458.356 4.784 20 0 JJADRN CCC1(CNC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCCCC1 ZINC001458688492 1067110139 /nfs/dbraw/zinc/11/01/39/1067110139.db2.gz GFVJLIFUJAORFR-UHFFFAOYSA-N 0 0 454.390 4.770 20 0 JJADRN CC(C)[C@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001458692457 1067110706 /nfs/dbraw/zinc/11/07/06/1067110706.db2.gz OEHWNUUWJYWFOK-ACJLOTCBSA-N 0 0 452.393 4.732 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)cc1 ZINC001458690303 1067110797 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GRAQFKONKSCLGY-LJQANCHMSA-N 0 0 454.727 4.774 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001546026271 1067123285 /nfs/dbraw/zinc/12/32/85/1067123285.db2.gz JVIQVQGSBMVFNP-LJQANCHMSA-N 0 0 465.381 4.974 20 0 JJADRN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC001545806725 1067123593 /nfs/dbraw/zinc/12/35/93/1067123593.db2.gz PBTHJKYXMXMDBZ-NRFANRHFSA-N 0 0 455.436 4.923 20 0 JJADRN C[S@](=O)CCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F ZINC001458733154 1067123987 /nfs/dbraw/zinc/12/39/87/1067123987.db2.gz PMJCHLJDPWPNIZ-CSHDCIMHSA-N 0 0 457.379 4.988 20 0 JJADRN COc1ccc(/C=C2\N=C(SC[C@@H]3CCC[C@@H](O)C3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458733567 1067124152 /nfs/dbraw/zinc/12/41/52/1067124152.db2.gz SYIHFZJVPRQVOD-JMLGBGHZSA-N 0 0 452.576 4.732 20 0 JJADRN COc1ccc(/C=C2/N=C(S[C@@H](C)c3noc(C)n3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458733858 1067124760 /nfs/dbraw/zinc/12/47/60/1067124760.db2.gz UAINIBRZDVUNCA-PVGUKEHMSA-N 0 0 450.520 4.633 20 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C[C@@H](Nc1ncnc2c1cnn2-c1cccc(Br)c1)c1cc(F)ccc1N(C)C ZINC001458736195 1067126196 /nfs/dbraw/zinc/12/61/96/1067126196.db2.gz WOFFECMSQVHEAP-CYBMUJFWSA-N 0 0 455.335 4.956 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)N(C)C(=O)OC(C)(C)C ZINC001450823239 1067126308 /nfs/dbraw/zinc/12/63/08/1067126308.db2.gz AHGOJNOHDKTKBS-SJCJKPOMSA-N 0 0 450.377 4.679 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H](CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC001458737425 1067126930 /nfs/dbraw/zinc/12/69/30/1067126930.db2.gz XWNHMMKOIXYNOQ-INIZCTEOSA-N 0 0 455.584 4.650 20 0 JJADRN CCn1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC001450830904 1067127206 /nfs/dbraw/zinc/12/72/06/1067127206.db2.gz LWDBGQNYPMNWQH-NZQKXSOJSA-N 0 0 455.599 4.586 20 0 JJADRN CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3cccc(Br)c3)o2)C1=O ZINC001458738916 1067127533 /nfs/dbraw/zinc/12/75/33/1067127533.db2.gz LODNTHFYZGIMHF-OAQYLSRUSA-N 0 0 458.287 4.601 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001546026567 1067127578 /nfs/dbraw/zinc/12/75/78/1067127578.db2.gz SHAQAKJYSAUCDE-MOPGFXCFSA-N 0 0 453.414 4.951 20 0 JJADRN C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450831950 1067127598 /nfs/dbraw/zinc/12/75/98/1067127598.db2.gz DRYGESATTGNHIQ-GJZGRUSLSA-N 0 0 458.496 4.885 20 0 JJADRN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCCCCCCNC(=O)OC(C)(C)C)C1=O ZINC001458740696 1067128281 /nfs/dbraw/zinc/12/82/81/1067128281.db2.gz OWEHBPQSPYUYFD-QHCPKHFHSA-N 0 0 451.995 4.972 20 0 JJADRN CC[C@@H](c1nnc(SCCC(=O)Nc2ccccc2F)n1-c1ccc(OC)cc1)N(C)C ZINC001458739686 1067128306 /nfs/dbraw/zinc/12/83/06/1067128306.db2.gz WYTWUPMZGNZNHJ-FQEVSTJZSA-N 0 0 457.575 4.549 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001546026673 1067128762 /nfs/dbraw/zinc/12/87/62/1067128762.db2.gz XCALLYFQDIMFFM-IBGZPJMESA-N 0 0 473.021 4.505 20 0 JJADRN CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCCN1CCOC[C@@H]1C ZINC001458742122 1067128738 /nfs/dbraw/zinc/12/87/38/1067128738.db2.gz HBSXZQZCDYOAKE-KRWDZBQOSA-N 0 0 458.027 4.975 20 0 JJADRN CCn1c(SCC(=O)Cc2cccc(Br)c2)nc2sc(C)c(C)c2c1=O ZINC001458743531 1067128816 /nfs/dbraw/zinc/12/88/16/1067128816.db2.gz KPHPQSOOZPNEDL-UHFFFAOYSA-N 0 0 451.411 4.761 20 0 JJADRN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Cl)c(Br)c2)C1=O ZINC001458742399 1067128932 /nfs/dbraw/zinc/12/89/32/1067128932.db2.gz QSBFPMYBZIINPP-GOSISDBHSA-N 0 0 459.674 4.671 20 0 JJADRN Cc1ccc2occ(CC(=O)N3CCC([C@@H]4OCCC[C@@H]4NC(=O)OC(C)(C)C)CC3)c2c1 ZINC001450838342 1067129600 /nfs/dbraw/zinc/12/96/00/1067129600.db2.gz YFXYYKMMWTWJQM-URXFXBBRSA-N 0 0 456.583 4.595 20 0 JJADRN Cc1ccc2occ(CC(=O)N3CCC([C@@H]4OCCC[C@H]4NC(=O)OC(C)(C)C)CC3)c2c1 ZINC001450838300 1067129621 /nfs/dbraw/zinc/12/96/21/1067129621.db2.gz YFXYYKMMWTWJQM-QPPBQGQZSA-N 0 0 456.583 4.595 20 0 JJADRN C[C@H]1Oc2c(cccc2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)NC1=O ZINC001450840251 1067130381 /nfs/dbraw/zinc/13/03/81/1067130381.db2.gz YDFSCNDSEAMSPL-ZHRRBRCNSA-N 0 0 450.922 4.747 20 0 JJADRN O=C(NCC1(CCO)CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001450841930 1067131063 /nfs/dbraw/zinc/13/10/63/1067131063.db2.gz NURINPBULNEHBL-UHFFFAOYSA-N 0 0 457.411 4.632 20 0 JJADRN Cc1cc(CCC(=O)N2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001450843211 1067131113 /nfs/dbraw/zinc/13/11/13/1067131113.db2.gz JNMCOFGPBRCHAW-MAUKXSAKSA-N 0 0 453.421 4.699 20 0 JJADRN Cc1cc(CCC(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001450843123 1067131182 /nfs/dbraw/zinc/13/11/82/1067131182.db2.gz JNMCOFGPBRCHAW-CRAIPNDOSA-N 0 0 453.421 4.699 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC001450843088 1067131211 /nfs/dbraw/zinc/13/12/11/1067131211.db2.gz IJWSKPNWLBWEJN-MRXNPFEDSA-N 0 0 459.329 4.874 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001546026759 1067131693 /nfs/dbraw/zinc/13/16/93/1067131693.db2.gz ZXUDNBPYLSOUMY-UHFFFAOYSA-N 0 0 481.403 4.980 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC001450848179 1067131766 /nfs/dbraw/zinc/13/17/66/1067131766.db2.gz DELNUBMRVFBKNO-FYYLOGMGSA-N 0 0 453.583 4.606 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccccc1Cn1ccnc1)C1CCCCCC1 ZINC001450852776 1067132531 /nfs/dbraw/zinc/13/25/31/1067132531.db2.gz YPGWYTLMWXVIKN-QHCPKHFHSA-N 0 0 454.615 4.659 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(F)F)cc2)C1 ZINC001546103217 1067132726 /nfs/dbraw/zinc/13/27/26/1067132726.db2.gz CZNQYAXBVUSMRL-UHFFFAOYSA-N 0 0 470.524 4.592 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001450858465 1067133183 /nfs/dbraw/zinc/13/31/83/1067133183.db2.gz OPBYCJASYKBDPF-REWPJTCUSA-N 0 0 456.583 4.974 20 0 JJADRN CCOc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c2ncccc12 ZINC001458759349 1067133492 /nfs/dbraw/zinc/13/34/92/1067133492.db2.gz MCEYLPJFNYQRKI-NRFANRHFSA-N 0 0 453.461 4.762 20 0 JJADRN COC(=O)C[C@]1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCOC1 ZINC001458758509 1067133509 /nfs/dbraw/zinc/13/35/09/1067133509.db2.gz GBGKCKNLFNCVQV-OAQYLSRUSA-N 0 0 454.375 4.738 20 0 JJADRN CCN(CC(=O)Nc1cc(O)c(F)cc1F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450894590 1067133622 /nfs/dbraw/zinc/13/36/22/1067133622.db2.gz HZLFMBJBJWEGTJ-UHFFFAOYSA-N 0 0 452.457 4.880 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC001450888322 1067133713 /nfs/dbraw/zinc/13/37/13/1067133713.db2.gz OBADTYLHEQVSNK-HXUWFJFHSA-N 0 0 458.465 4.568 20 0 JJADRN CCOc1cc(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)ccc1OCc1cccnc1 ZINC001450885367 1067133792 /nfs/dbraw/zinc/13/37/92/1067133792.db2.gz JAFGOFLYCYFMJS-UHFFFAOYSA-N 0 0 450.445 4.980 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC001450888158 1067133842 /nfs/dbraw/zinc/13/38/42/1067133842.db2.gz CXVLCHKTDWBMOS-VWLOTQADSA-N 0 0 451.592 4.821 20 0 JJADRN CCC(C)(C)OCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001458760988 1067134205 /nfs/dbraw/zinc/13/42/05/1067134205.db2.gz QBNYINIAZSOACH-UHFFFAOYSA-N 0 0 457.530 4.835 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(O)c(F)cc2F)cc1OC ZINC001450900301 1067134569 /nfs/dbraw/zinc/13/45/69/1067134569.db2.gz NGRQMGHGHGCCSN-UHFFFAOYSA-N 0 0 451.429 4.793 20 0 JJADRN Cc1ccc(C[C@H](CO)NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C ZINC001450902120 1067134743 /nfs/dbraw/zinc/13/47/43/1067134743.db2.gz JDAWZBUVSNICIC-FCHUYYIVSA-N 0 0 452.595 4.642 20 0 JJADRN Cn1nc(CNC(=O)c2ccccc2OCc2cccc(Br)c2)c2ccccc21 ZINC001458764824 1067134824 /nfs/dbraw/zinc/13/48/24/1067134824.db2.gz DSAMHXGWMMFKNJ-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)Nc3cccc(Cc4nn[nH]n4)c3)cc2c1 ZINC001450915239 1067136092 /nfs/dbraw/zinc/13/60/92/1067136092.db2.gz DRYHBWXXUIOKAD-UHFFFAOYSA-N 0 0 450.524 4.605 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001546027451 1067136203 /nfs/dbraw/zinc/13/62/03/1067136203.db2.gz AAJVVAHPHGKJCO-DYESRHJHSA-N 0 0 456.612 4.533 20 0 JJADRN COc1ccccc1-n1c(=O)c2c3c(sc2nc1SCCOCC(F)F)CCCC3 ZINC001458769810 1067137239 /nfs/dbraw/zinc/13/72/39/1067137239.db2.gz MLQDKIVCWHWIIQ-UHFFFAOYSA-N 0 0 452.548 4.708 20 0 JJADRN Cc1cccnc1NC(=O)CCNC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001450953213 1067137250 /nfs/dbraw/zinc/13/72/50/1067137250.db2.gz BHIDSOMHQYFVGG-OAQYLSRUSA-N 0 0 458.345 4.962 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CSc2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001458771593 1067137651 /nfs/dbraw/zinc/13/76/51/1067137651.db2.gz RBFGMYAVXSLPRI-NRFANRHFSA-N 0 0 451.573 4.857 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)SC)C1 ZINC001546103364 1067138510 /nfs/dbraw/zinc/13/85/10/1067138510.db2.gz IGKVTISZMMXADM-MRXNPFEDSA-N 0 0 450.052 4.630 20 0 JJADRN CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC001458772985 1067139029 /nfs/dbraw/zinc/13/90/29/1067139029.db2.gz DGSVHAOXZXAGAV-AWEZNQCLSA-N 0 0 457.581 4.789 20 0 JJADRN C[C@@H]1Cc2cccc(C(=O)Oc3ccc(I)c(Br)c3)c2O1 ZINC001458773797 1067139585 /nfs/dbraw/zinc/13/95/85/1067139585.db2.gz IGYBITPSIXUPPA-SECBINFHSA-N 0 0 459.077 4.596 20 0 JJADRN COc1ccc(/C=C2/N=C(SCO[C@H]3CCCOC3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC001458775238 1067139911 /nfs/dbraw/zinc/13/99/11/1067139911.db2.gz KMCPTEGEXKZQBT-DHNIJCFSSA-N 0 0 452.576 4.942 20 0 JJADRN CC(C)[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001458774790 1067140007 /nfs/dbraw/zinc/14/00/07/1067140007.db2.gz DTAZJMDWYNEDID-INIZCTEOSA-N 0 0 454.358 4.860 20 0 JJADRN COc1ccc(/C=C2\N=C(SCO[C@@H]3CCCOC3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC001458775253 1067140108 /nfs/dbraw/zinc/14/01/08/1067140108.db2.gz KMCPTEGEXKZQBT-QPHMKDBKSA-N 0 0 452.576 4.942 20 0 JJADRN COc1ccc(-n2c(S[C@@H]3CCCN(C)C3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC001458775386 1067140637 /nfs/dbraw/zinc/14/06/37/1067140637.db2.gz NGMAXDSDOHIJSC-OAQYLSRUSA-N 0 0 450.608 4.953 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001451026879 1067140803 /nfs/dbraw/zinc/14/08/03/1067140803.db2.gz BRCNFHVYMUZMKC-OXQOHEQNSA-N 0 0 477.007 4.852 20 0 JJADRN COc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1Cl ZINC001458777229 1067141810 /nfs/dbraw/zinc/14/18/10/1067141810.db2.gz SERXMPAHAPBFOO-GDBMZVCRSA-N 0 0 458.967 4.601 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)CCCO1 ZINC001451040361 1067141898 /nfs/dbraw/zinc/14/18/98/1067141898.db2.gz YGGRFHJDWDSRPL-QHAWAJNXSA-N 0 0 451.007 4.756 20 0 JJADRN Cc1ccc(-n2nnnc2SCc2cccc(OCC(F)(F)F)c2Br)cc1 ZINC001458778168 1067142346 /nfs/dbraw/zinc/14/23/46/1067142346.db2.gz BVPATYCCIBTTJV-UHFFFAOYSA-N 0 0 459.291 4.967 20 0 JJADRN COc1ccc(OC)c(CC(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)c1 ZINC001458778186 1067142386 /nfs/dbraw/zinc/14/23/86/1067142386.db2.gz NYWGQQSJQJFBSA-UHFFFAOYSA-N 0 0 450.329 4.603 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001546028159 1067142509 /nfs/dbraw/zinc/14/25/09/1067142509.db2.gz ZHQVXWINYJOWNL-UHFFFAOYSA-N 0 0 450.427 4.817 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001546028164 1067142618 /nfs/dbraw/zinc/14/26/18/1067142618.db2.gz ZKGWXYYOLHYQER-VWLOTQADSA-N 0 0 451.615 4.686 20 0 JJADRN COC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)c1ccc(F)cc1 ZINC001458780230 1067142981 /nfs/dbraw/zinc/14/29/81/1067142981.db2.gz ZBVZFGOETJBUNZ-NRFANRHFSA-N 0 0 450.491 4.540 20 0 JJADRN Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC001451051206 1067144190 /nfs/dbraw/zinc/14/41/90/1067144190.db2.gz TVOJZFNFTFIEIO-CQSZACIVSA-N 0 0 455.393 4.592 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001458781974 1067144705 /nfs/dbraw/zinc/14/47/05/1067144705.db2.gz STRJJHLRGZVQJD-MQSCRBSSSA-N 0 0 451.460 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnn(CC3CCCC3)c2)CC[C@H]1c1ccc(F)cc1 ZINC001451061013 1067144832 /nfs/dbraw/zinc/14/48/32/1067144832.db2.gz GZPIYSMPXUHEJH-XZOQPEGZSA-N 0 0 470.589 4.735 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H](C)c2noc(C(F)F)n2)c1 ZINC001451077018 1067145266 /nfs/dbraw/zinc/14/52/66/1067145266.db2.gz BHUWKGNXFWPQKL-CQSZACIVSA-N 0 0 453.449 4.668 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)c2cccc(OCC(F)F)n2)c1 ZINC001458784175 1067145299 /nfs/dbraw/zinc/14/52/99/1067145299.db2.gz VUSQBTOALZQCOE-UHFFFAOYSA-N 0 0 457.271 4.696 20 0 JJADRN CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)c1nn(C(C)C)cc1Br ZINC001451088571 1067146079 /nfs/dbraw/zinc/14/60/79/1067146079.db2.gz IQQJXUCUYMEOCF-UHFFFAOYSA-N 0 0 458.404 4.526 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001545816143 1067146086 /nfs/dbraw/zinc/14/60/86/1067146086.db2.gz APPPQVRZCOSHPM-UHFFFAOYSA-N 0 0 454.514 4.967 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C1 ZINC001546103693 1067146134 /nfs/dbraw/zinc/14/61/34/1067146134.db2.gz TXFXAPYPLBJPRY-CVCYQNGTSA-N 0 0 462.635 4.875 20 0 JJADRN CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001451088604 1067146200 /nfs/dbraw/zinc/14/62/00/1067146200.db2.gz IZQBBJJIHNEDNG-LEWJYISDSA-N 0 0 468.642 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 ZINC001451104522 1067146584 /nfs/dbraw/zinc/14/65/84/1067146584.db2.gz GAXXYKJEOQKNHL-SJLPKXTDSA-N 0 0 455.521 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 ZINC001451104513 1067146640 /nfs/dbraw/zinc/14/66/40/1067146640.db2.gz GAXXYKJEOQKNHL-AEFFLSMTSA-N 0 0 455.521 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 ZINC001451104526 1067146842 /nfs/dbraw/zinc/14/68/42/1067146842.db2.gz GAXXYKJEOQKNHL-WMZOPIPTSA-N 0 0 455.521 4.671 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001546103744 1067147247 /nfs/dbraw/zinc/14/72/47/1067147247.db2.gz VHPALZCWRXZBTP-IRLDBZIGSA-N 0 0 453.631 4.715 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001546103767 1067147344 /nfs/dbraw/zinc/14/73/44/1067147344.db2.gz WHMKMTIKYWIMAU-SFHVURJKSA-N 0 0 459.610 4.736 20 0 JJADRN COCCCn1c(S[C@H]2CCCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O ZINC001458786916 1067147369 /nfs/dbraw/zinc/14/73/69/1067147369.db2.gz WODHFYNSJVTCCA-QFIPXVFZSA-N 0 0 452.576 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC001451120430 1067147547 /nfs/dbraw/zinc/14/75/47/1067147547.db2.gz WOQGZEIHTJENFC-SIKLNZKXSA-N 0 0 453.583 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2noc(-c3cccc(F)c3)n2)C1 ZINC001451120672 1067147561 /nfs/dbraw/zinc/14/75/61/1067147561.db2.gz XJMGGXYLUCWKCD-MJGOQNOKSA-N 0 0 458.534 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001451122373 1067147570 /nfs/dbraw/zinc/14/75/70/1067147570.db2.gz ZTUYTEFRXFBKPL-FIXSFTCYSA-N 0 0 480.605 4.569 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)[C@@]12CCCO2 ZINC001458788449 1067147964 /nfs/dbraw/zinc/14/79/64/1067147964.db2.gz ZIRFRGSEYXKDOR-KPYOPSEVSA-N 0 0 450.362 4.956 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001451125728 1067148173 /nfs/dbraw/zinc/14/81/73/1067148173.db2.gz CWUYRAKSZBERHK-PCCBWWKXSA-N 0 0 450.583 4.615 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001546103825 1067148630 /nfs/dbraw/zinc/14/86/30/1067148630.db2.gz XYBMQWSNRZZWQV-YADHBBJMSA-N 0 0 453.631 4.601 20 0 JJADRN CCc1onc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 ZINC001458793316 1067148705 /nfs/dbraw/zinc/14/87/05/1067148705.db2.gz QLAYYWADIXRPBX-UHFFFAOYSA-N 0 0 451.548 4.613 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1OC ZINC001458790953 1067148719 /nfs/dbraw/zinc/14/87/19/1067148719.db2.gz CBUOCQOYSAMDJQ-CQSZACIVSA-N 0 0 452.536 4.513 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)c3cc(F)c(C)cc3F)n2C[C@H]2CCCO2)cc1 ZINC001458793318 1067148725 /nfs/dbraw/zinc/14/87/25/1067148725.db2.gz DFKPOZGHOYCFBJ-QGZVFWFLSA-N 0 0 459.518 4.694 20 0 JJADRN COc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCC(F)(F)F ZINC001458792513 1067148752 /nfs/dbraw/zinc/14/87/52/1067148752.db2.gz MZCMTVQYABTQMP-UHFFFAOYSA-N 0 0 455.889 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)CCc3ccccc3OC(F)(F)F)C[C@@H]2C1 ZINC001451141523 1067149171 /nfs/dbraw/zinc/14/91/71/1067149171.db2.gz PIVGGHPQDGMWMP-RCCFBDPRSA-N 0 0 456.505 4.670 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451142468 1067149322 /nfs/dbraw/zinc/14/93/22/1067149322.db2.gz PQVLYDUQEWWMPR-QLFBSQMISA-N 0 0 455.368 4.662 20 0 JJADRN CCC1(c2ccccc2)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1 ZINC001451146737 1067149973 /nfs/dbraw/zinc/14/99/73/1067149973.db2.gz XNGUIBIMAJPCCP-UHFFFAOYSA-N 0 0 454.979 4.945 20 0 JJADRN CCCCCn1c(SCC(=O)c2cccc(OC)n2)nc2sc3c(c2c1=O)CCCC3 ZINC001458800783 1067150025 /nfs/dbraw/zinc/15/00/25/1067150025.db2.gz UEBGPJNYXPIHLC-UHFFFAOYSA-N 0 0 457.621 4.906 20 0 JJADRN CCCCCn1c(S[C@@H](C)C(=O)CC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC001458796227 1067150052 /nfs/dbraw/zinc/15/00/52/1067150052.db2.gz NAPRBUJIMBVYEF-AWEZNQCLSA-N 0 0 450.626 4.530 20 0 JJADRN Clc1ccc(-n2c(SCCOC[C@@H]3CCCO3)nnc2-c2cccnc2)cc1Cl ZINC001458801986 1067150653 /nfs/dbraw/zinc/15/06/53/1067150653.db2.gz VAHXUCMXSYOCQA-INIZCTEOSA-N 0 0 451.379 4.924 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC001458809940 1067151365 /nfs/dbraw/zinc/15/13/65/1067151365.db2.gz LGRQKYKCZZALLY-UHFFFAOYSA-N 0 0 457.530 4.728 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c1 ZINC001546028721 1067151258 /nfs/dbraw/zinc/15/12/58/1067151258.db2.gz MAACPGIOKLHCCF-AVRWGWEMSA-N 0 0 459.521 4.929 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C)C[C@@H](O)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001546028753 1067151360 /nfs/dbraw/zinc/15/13/60/1067151360.db2.gz MSVKKSJCWRWNKM-WXTAPIANSA-N 0 0 459.521 4.929 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001451165450 1067151402 /nfs/dbraw/zinc/15/14/02/1067151402.db2.gz AMFRLXXSZFMDRL-KNOCVWDGSA-N 0 0 456.627 4.976 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451174724 1067151857 /nfs/dbraw/zinc/15/18/57/1067151857.db2.gz GVYSFWDUWBVUDC-GOSISDBHSA-N 0 0 456.505 4.533 20 0 JJADRN CC(C)[C@H](NC(=O)CSc1nccn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC001458812742 1067152589 /nfs/dbraw/zinc/15/25/89/1067152589.db2.gz NHTFQIWGQHGMOG-QFIPXVFZSA-N 0 0 457.983 4.903 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC001458815771 1067153317 /nfs/dbraw/zinc/15/33/17/1067153317.db2.gz GEWVPGIAHDHUHP-OAQYLSRUSA-N 0 0 455.505 4.580 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2ccc(C)c(I)c2)c2ccncc2)c1 ZINC001458817139 1067153748 /nfs/dbraw/zinc/15/37/48/1067153748.db2.gz MYVDRNXQDCBQAY-FQEVSTJZSA-N 0 0 459.283 4.950 20 0 JJADRN COc1cccc([C@@H](OC(=O)Cc2cccc(I)c2)c2ccncc2)c1 ZINC001458815584 1067153765 /nfs/dbraw/zinc/15/37/65/1067153765.db2.gz KPXGJHCFJLHKQG-NRFANRHFSA-N 0 0 459.283 4.570 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC001546029204 1067153784 /nfs/dbraw/zinc/15/37/84/1067153784.db2.gz WWZGDTWUAKTXSE-ZDUSSCGKSA-N 0 0 451.976 4.544 20 0 JJADRN CCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)c(Cl)c1)sc1c2CCC1 ZINC001458817760 1067154258 /nfs/dbraw/zinc/15/42/58/1067154258.db2.gz KMSBUEZVMIZUNR-UHFFFAOYSA-N 0 0 451.976 4.880 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1Cc2ccccc2C1=O ZINC001458817873 1067154292 /nfs/dbraw/zinc/15/42/92/1067154292.db2.gz KGDDDVCWJOHGBW-ZWKOTPCHSA-N 0 0 456.411 4.688 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1Cc2ccccc2C1=O ZINC001458817872 1067154406 /nfs/dbraw/zinc/15/44/06/1067154406.db2.gz KGDDDVCWJOHGBW-ROUUACIJSA-N 0 0 456.411 4.688 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001546029395 1067154560 /nfs/dbraw/zinc/15/45/60/1067154560.db2.gz CFHUHULHKYYPAP-OAHLLOKOSA-N 0 0 460.928 4.697 20 0 JJADRN CC[C@H](C(=O)N(CCOC)c1cccc(Br)n1)c1ccc(Br)cc1 ZINC001458819265 1067154881 /nfs/dbraw/zinc/15/48/81/1067154881.db2.gz SNNPPGANLOZNSY-HNNXBMFYSA-N 0 0 456.178 4.780 20 0 JJADRN C[C@@H](CN(C)C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)OC(C)(C)C ZINC001451246773 1067155662 /nfs/dbraw/zinc/15/56/62/1067155662.db2.gz ADEIYEFDRABKSL-ZDUSSCGKSA-N 0 0 453.402 4.551 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC001546103967 1067156121 /nfs/dbraw/zinc/15/61/21/1067156121.db2.gz CQVHGCNEEVPNBG-UHFFFAOYSA-N 0 0 458.031 4.842 20 0 JJADRN O=C(N1CCC([C@H](O)c2cc(F)ccc2F)CC1)C1(c2ccc(Br)cc2)CC1 ZINC001451256455 1067156339 /nfs/dbraw/zinc/15/63/39/1067156339.db2.gz XKAVTYIOCKGFDT-FQEVSTJZSA-N 0 0 450.323 4.731 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001451254921 1067156440 /nfs/dbraw/zinc/15/64/40/1067156440.db2.gz PMCCFVZLOHLUOA-IBGZPJMESA-N 0 0 457.615 4.826 20 0 JJADRN COc1ccc(-c2nc(SCc3noc(Cc4ccc(Br)cc4)n3)n[nH]2)cc1 ZINC001458823387 1067157105 /nfs/dbraw/zinc/15/71/05/1067157105.db2.gz CAHCGKPCOUDVGM-UHFFFAOYSA-N 0 0 458.341 4.509 20 0 JJADRN COCC(COC)Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC001458823091 1067157219 /nfs/dbraw/zinc/15/72/19/1067157219.db2.gz PRJIYKUFQGZEHT-UHFFFAOYSA-N 0 0 451.013 4.733 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458824688 1067158045 /nfs/dbraw/zinc/15/80/45/1067158045.db2.gz XZYNFERLHBHSFY-AZUAARDMSA-N 0 0 454.395 4.972 20 0 JJADRN O=C1[C@@H](Sc2nnc(-c3ccccc3Br)o2)CCN1c1c(F)cccc1F ZINC001458825190 1067158514 /nfs/dbraw/zinc/15/85/14/1067158514.db2.gz CMPCXXOYSUWYKS-AWEZNQCLSA-N 0 0 452.280 4.675 20 0 JJADRN CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1C(C)C ZINC001458826481 1067159150 /nfs/dbraw/zinc/15/91/50/1067159150.db2.gz SSYMAZLTOQNIAY-UHFFFAOYSA-N 0 0 451.596 4.694 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 ZINC001451313612 1067159225 /nfs/dbraw/zinc/15/92/25/1067159225.db2.gz SYDQEJZECHEVPB-JLTOFOAXSA-N 0 0 450.938 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451323532 1067159414 /nfs/dbraw/zinc/15/94/14/1067159414.db2.gz GVVJWYCBWFUWEH-JOCHJYFZSA-N 0 0 458.549 4.882 20 0 JJADRN Cc1sc2nc(SCc3c(Cl)ncnc3N(C)C)n(C3CCCC3)c(=O)c2c1C ZINC001458827061 1067159660 /nfs/dbraw/zinc/15/96/60/1067159660.db2.gz RTRFLZVZKHGCMF-UHFFFAOYSA-N 0 0 450.033 4.992 20 0 JJADRN CCOC(=O)Cc1csc(SCc2ccnc(-c3ccc(Br)cc3)n2)n1 ZINC001458826915 1067159761 /nfs/dbraw/zinc/15/97/61/1067159761.db2.gz QRAIMLLKUNSAJU-UHFFFAOYSA-N 0 0 450.383 4.761 20 0 JJADRN O=C(Cc1cccc(I)c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451337611 1067160515 /nfs/dbraw/zinc/16/05/15/1067160515.db2.gz LQWNRULXRMYNDA-UHFFFAOYSA-N 0 0 455.286 4.593 20 0 JJADRN C[C@@H](Cc1nnc(SCC(=O)C2(NC(=O)OCc3ccccc3)CC2)o1)c1ccccc1 ZINC001458829330 1067160640 /nfs/dbraw/zinc/16/06/40/1067160640.db2.gz WAYUATLRMMILCK-KRWDZBQOSA-N 0 0 451.548 4.536 20 0 JJADRN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3sc(CC)cc3C(=O)OCC)ccc12 ZINC001458828452 1067160661 /nfs/dbraw/zinc/16/06/61/1067160661.db2.gz KWYFHWCYSSKZAR-CQSZACIVSA-N 0 0 457.548 4.952 20 0 JJADRN C[C@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1ccnn1C ZINC001458829099 1067160746 /nfs/dbraw/zinc/16/07/46/1067160746.db2.gz ZYGWZQINVAISAO-CQSZACIVSA-N 0 0 455.381 4.794 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCCN(CC)C(=O)C2)on1 ZINC001545821516 1067161200 /nfs/dbraw/zinc/16/12/00/1067161200.db2.gz FRHPSKGJHXBDCH-GOSISDBHSA-N 0 0 498.603 4.556 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC001451347415 1067161234 /nfs/dbraw/zinc/16/12/34/1067161234.db2.gz VZKMZGDDOYKJRB-UHFFFAOYSA-N 0 0 454.311 4.839 20 0 JJADRN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001451360759 1067161342 /nfs/dbraw/zinc/16/13/42/1067161342.db2.gz RFOGOXPIHRVUTL-QUCCMNQESA-N 0 0 461.306 4.943 20 0 JJADRN CCC(CC)(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)OC ZINC001458831682 1067161459 /nfs/dbraw/zinc/16/14/59/1067161459.db2.gz AKCIEDOFBQVMGW-UHFFFAOYSA-N 0 0 458.971 4.623 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451377600 1067161735 /nfs/dbraw/zinc/16/17/35/1067161735.db2.gz IZMTXXSYXSSXJY-UIAACRFSSA-N 0 0 452.904 4.695 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C1(c2ccccc2Cl)CCOCC1 ZINC001451380382 1067161797 /nfs/dbraw/zinc/16/17/97/1067161797.db2.gz RFSLULMHFDEYFA-GHTZIAJQSA-N 0 0 466.931 4.535 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451377799 1067161809 /nfs/dbraw/zinc/16/18/09/1067161809.db2.gz KOEMIMUSLFIRHR-FUHWJXTLSA-N 0 0 461.311 4.909 20 0 JJADRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451377597 1067161886 /nfs/dbraw/zinc/16/18/86/1067161886.db2.gz IZMTXXSYXSSXJY-RYGJVYDSSA-N 0 0 452.904 4.695 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3ccc(Br)cc3)nc2c1 ZINC001458832470 1067161882 /nfs/dbraw/zinc/16/18/82/1067161882.db2.gz DBTGKTQCHMRGPU-UHFFFAOYSA-N 0 0 454.415 4.648 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)on1 ZINC001545821909 1067162368 /nfs/dbraw/zinc/16/23/68/1067162368.db2.gz OOACZXFDGWUMKW-FQEVSTJZSA-N 0 0 479.629 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@H]1c1cccc(F)c1 ZINC001451385595 1067162386 /nfs/dbraw/zinc/16/23/86/1067162386.db2.gz FPRGDVLPALKMSY-AZUAARDMSA-N 0 0 469.582 4.887 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451384969 1067162528 /nfs/dbraw/zinc/16/25/28/1067162528.db2.gz DBPOQOOUUDLZRV-DLBZAZTESA-N 0 0 467.335 4.623 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)cc(F)c3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458833663 1067162507 /nfs/dbraw/zinc/16/25/07/1067162507.db2.gz CYARJCCTVCLWNN-UHFFFAOYSA-N 0 0 450.535 4.892 20 0 JJADRN CC(C)n1c(=O)c2ccccc2nc1S[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001458834590 1067162841 /nfs/dbraw/zinc/16/28/41/1067162841.db2.gz IOYBCHWUDAZHCB-GOSISDBHSA-N 0 0 458.381 4.786 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)CCC(=O)OC)nnc2-c2ccccc2Cl)cc1 ZINC001458834819 1067163033 /nfs/dbraw/zinc/16/30/33/1067163033.db2.gz MCUUOJSSDINDBH-UHFFFAOYSA-N 0 0 459.955 4.601 20 0 JJADRN Cc1ccc(C(=O)c2c(NC(=O)COc3ccc(F)cc3F)sc3c2CCN(C)C3)cc1 ZINC001458834849 1067163040 /nfs/dbraw/zinc/16/30/40/1067163040.db2.gz HFTHIYIDTLHSCI-UHFFFAOYSA-N 0 0 456.514 4.571 20 0 JJADRN CCc1c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cnn1CCC(C)C ZINC001451392398 1067163726 /nfs/dbraw/zinc/16/37/26/1067163726.db2.gz PTWZROSXLCLGGR-FCHUYYIVSA-N 0 0 472.605 4.764 20 0 JJADRN CN(Cc1noc(C2CC2)n1)C(=O)c1cccnc1SCc1cccc(Br)c1 ZINC001451395869 1067164412 /nfs/dbraw/zinc/16/44/12/1067164412.db2.gz URJGLPNNSXCGQN-UHFFFAOYSA-N 0 0 459.369 4.669 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC001451398860 1067164906 /nfs/dbraw/zinc/16/49/06/1067164906.db2.gz JFRXCICOOUISJQ-GSPCLOLRSA-N 0 0 456.533 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CCc3cccc(OCc4ccccc4)c3)[C@@H]2C1 ZINC001451397335 1067165021 /nfs/dbraw/zinc/16/50/21/1067165021.db2.gz BFKNDUSFBGUYLL-LADGPHEKSA-N 0 0 450.579 4.666 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(=O)NC)C2)on1 ZINC001545823086 1067164909 /nfs/dbraw/zinc/16/49/09/1067164909.db2.gz AGIZGXMKQWPLKV-KRWDZBQOSA-N 0 0 471.005 4.501 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)on1 ZINC001545823171 1067164983 /nfs/dbraw/zinc/16/49/83/1067164983.db2.gz CNFOBUFGSBHJGE-UHFFFAOYSA-N 0 0 482.629 4.870 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001451406568 1067165574 /nfs/dbraw/zinc/16/55/74/1067165574.db2.gz OSLKTNJXNDNUNZ-AJSBUHFISA-N 0 0 450.579 4.513 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001451403175 1067165634 /nfs/dbraw/zinc/16/56/34/1067165634.db2.gz QKHQPVZJHSZZSV-IERDGZPVSA-N 0 0 451.542 4.904 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c(F)c(F)cc(F)c2F)C[C@H]1c1ccccc1F ZINC001451408950 1067166743 /nfs/dbraw/zinc/16/67/43/1067166743.db2.gz CYHHMDMKYIIHAB-BLLLJJGKSA-N 0 0 456.411 4.515 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC(C)(C)OC[C@@H]2C)on1 ZINC001545823399 1067166819 /nfs/dbraw/zinc/16/68/19/1067166819.db2.gz LKLLZOUQCROSME-KRWDZBQOSA-N 0 0 483.613 4.906 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C(=O)NC)on1 ZINC001545823450 1067166892 /nfs/dbraw/zinc/16/68/92/1067166892.db2.gz MVSBRMDGXBMORH-DLBZAZTESA-N 0 0 498.697 4.890 20 0 JJADRN CC(C)COc1ccccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451410072 1067167466 /nfs/dbraw/zinc/16/74/66/1067167466.db2.gz IVUNXNOMAVICML-RBBKRZOGSA-N 0 0 456.558 4.993 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C)C2)on1 ZINC001545823483 1067167451 /nfs/dbraw/zinc/16/74/51/1067167451.db2.gz NYMUYXANWRKYLY-CYBMUJFWSA-N 0 0 480.432 4.934 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)[C@H]2CC)on1 ZINC001545823624 1067167543 /nfs/dbraw/zinc/16/75/43/1067167543.db2.gz SJDDNAYXSVPWHI-HSZRJFAPSA-N 0 0 478.641 4.897 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCC[C@H](C)C2)on1 ZINC001545823643 1067167594 /nfs/dbraw/zinc/16/75/94/1067167594.db2.gz SUBHQAQSZRSRKE-SFHVURJKSA-N 0 0 485.654 4.915 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823715 1067168201 /nfs/dbraw/zinc/16/82/01/1067168201.db2.gz WGDMLXSUZCIITI-LJQANCHMSA-N 0 0 495.628 4.774 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823714 1067168248 /nfs/dbraw/zinc/16/82/48/1067168248.db2.gz WGDMLXSUZCIITI-IBGZPJMESA-N 0 0 495.628 4.774 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cnn1-c1ccccc1C ZINC001451412524 1067168521 /nfs/dbraw/zinc/16/85/21/1067168521.db2.gz RNHINJUWLORRAY-JTHBVZDNSA-N 0 0 478.568 4.761 20 0 JJADRN COc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1OC(C)C ZINC001451412878 1067168600 /nfs/dbraw/zinc/16/86/00/1067168600.db2.gz SYEDNXVUDQZUCA-PZJWPPBQSA-N 0 0 472.557 4.754 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)N3CCNC(=O)[C@H]3c3ccccc3C(F)(F)F)ccc2c1 ZINC001458842509 1067168543 /nfs/dbraw/zinc/16/85/43/1067168543.db2.gz RQHDOBIBABAMHE-OYHNWAKOSA-N 0 0 456.464 4.670 20 0 JJADRN CCN1C(=O)CCc2cc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)ccc21 ZINC001458842781 1067168631 /nfs/dbraw/zinc/16/86/31/1067168631.db2.gz ZRBGBPYQAUTQCR-VCALTZMKSA-N 0 0 455.599 4.644 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCCC1CCCC1 ZINC001458842582 1067168648 /nfs/dbraw/zinc/16/86/48/1067168648.db2.gz BZTFFICNQJVCKK-UHFFFAOYSA-N 0 0 451.658 4.530 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)on1 ZINC001545824659 1067169229 /nfs/dbraw/zinc/16/92/29/1067169229.db2.gz FQPDQRLALBIKBT-UHFFFAOYSA-N 0 0 472.584 4.504 20 0 JJADRN Cn1cc(CNC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c(-c2ccccc2)n1 ZINC001458843292 1067169394 /nfs/dbraw/zinc/16/93/94/1067169394.db2.gz NHMMAZPQRYTNKY-HARLFGEKSA-N 0 0 452.599 4.519 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)C2CCCCC2)on1 ZINC001545824538 1067169375 /nfs/dbraw/zinc/16/93/75/1067169375.db2.gz BCKNXXUHOUUFSR-FXAWDEMLSA-N 0 0 477.675 4.525 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)on1 ZINC001545824709 1067169837 /nfs/dbraw/zinc/16/98/37/1067169837.db2.gz HAGJSEZNCJSBDR-OXJNMPFZSA-N 0 0 484.567 4.532 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1Br)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001451415172 1067169793 /nfs/dbraw/zinc/16/97/93/1067169793.db2.gz SLEOTJBCWVOERP-KRWDZBQOSA-N 0 0 458.274 4.619 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)c1ccccc1Br ZINC001451417313 1067169974 /nfs/dbraw/zinc/16/99/74/1067169974.db2.gz HRMPQBWNHFXFTP-QGZVFWFLSA-N 0 0 455.190 4.630 20 0 JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458846310 1067170574 /nfs/dbraw/zinc/17/05/74/1067170574.db2.gz CICRZYCEHLWQMS-HNNXBMFYSA-N 0 0 457.378 4.584 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)on1 ZINC001545825101 1067171124 /nfs/dbraw/zinc/17/11/24/1067171124.db2.gz SBQOKQFFILVAGW-AREMUKBSSA-N 0 0 483.661 4.721 20 0 JJADRN CCC(CC)c1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)(C)CC2)on1 ZINC001545825289 1067171604 /nfs/dbraw/zinc/17/16/04/1067171604.db2.gz YFSDZDBMEDHSOM-UHFFFAOYSA-N 0 0 470.643 4.836 20 0 JJADRN O=C(c1cc2c(Br)cccc2cn1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458851089 1067171799 /nfs/dbraw/zinc/17/17/99/1067171799.db2.gz MWEVEMPIYIYQOW-ZDUSSCGKSA-N 0 0 453.262 4.690 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC001458849624 1067171831 /nfs/dbraw/zinc/17/18/31/1067171831.db2.gz JSDWUZOZTFCEJR-KRWDZBQOSA-N 0 0 452.477 4.655 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc3)o2)c1 ZINC001545825830 1067172298 /nfs/dbraw/zinc/17/22/98/1067172298.db2.gz XJXJDKMXFXBMLR-UHFFFAOYSA-N 0 0 450.539 4.651 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@H](C)[C@H]3CC)nnc2[C@]2(OC(C)C)CCOC2)on1 ZINC001545826049 1067172656 /nfs/dbraw/zinc/17/26/56/1067172656.db2.gz DLOYCBNDDAEDBK-FKRCVWNDSA-N 0 0 459.635 4.883 20 0 JJADRN COC(=O)C1=C(C)O[C@H](CSc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2)C1 ZINC001458852681 1067173223 /nfs/dbraw/zinc/17/32/23/1067173223.db2.gz OLZFCAKKKKBHFF-KRWDZBQOSA-N 0 0 456.951 4.676 20 0 JJADRN CC(=O)NC1CCC(N(C)C(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 ZINC001458852518 1067173234 /nfs/dbraw/zinc/17/32/34/1067173234.db2.gz VJDQSMPRNPRNSX-ORFBVSJDSA-N 0 0 451.652 4.536 20 0 JJADRN COC(=O)C1=C(C)O[C@@H](CSc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2)C1 ZINC001458852686 1067173267 /nfs/dbraw/zinc/17/32/67/1067173267.db2.gz OLZFCAKKKKBHFF-QGZVFWFLSA-N 0 0 456.951 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@@H]1CCCSC1 ZINC001545826197 1067173292 /nfs/dbraw/zinc/17/32/92/1067173292.db2.gz HZCXMSKPQUOCHO-MSOLQXFVSA-N 0 0 459.660 4.546 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC001451460281 1067173309 /nfs/dbraw/zinc/17/33/09/1067173309.db2.gz JISNYVKFOZWWHJ-IBGZPJMESA-N 0 0 453.892 4.936 20 0 JJADRN CCC(O)(CC)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001546031348 1067173366 /nfs/dbraw/zinc/17/33/66/1067173366.db2.gz DWVWFIKMONMJQA-HXUWFJFHSA-N 0 0 478.641 4.580 20 0 JJADRN CC[C@H](C)c1ccc(-n2c3nnc(SC[C@@](C)(O)C(F)F)n3c3ccccc3c2=O)cc1 ZINC001458854662 1067174287 /nfs/dbraw/zinc/17/42/87/1067174287.db2.gz NGDQIIMOGGHSMC-LFVRLGFBSA-N 0 0 458.534 4.655 20 0 JJADRN C[C@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCc1c(Br)cnn1C ZINC001458855344 1067174392 /nfs/dbraw/zinc/17/43/92/1067174392.db2.gz XAVROCJDMZCUIW-CQSZACIVSA-N 0 0 455.381 4.794 20 0 JJADRN O=C(NC[C@@H](O)C1CCC1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001451479531 1067174597 /nfs/dbraw/zinc/17/45/97/1067174597.db2.gz KRPURCJDIIXSTM-LJQANCHMSA-N 0 0 457.646 4.846 20 0 JJADRN O=C(NC[C@H](O)C1CCC1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001451479511 1067174746 /nfs/dbraw/zinc/17/47/46/1067174746.db2.gz KRPURCJDIIXSTM-IBGZPJMESA-N 0 0 457.646 4.846 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001546031472 1067174822 /nfs/dbraw/zinc/17/48/22/1067174822.db2.gz IIDVAIDOWYHTEJ-IBGZPJMESA-N 0 0 454.644 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC1CC(F)(F)C1 ZINC001545826605 1067175087 /nfs/dbraw/zinc/17/50/87/1067175087.db2.gz QTKSHKQBZXMHFV-CYBMUJFWSA-N 0 0 455.500 4.717 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001451512469 1067175163 /nfs/dbraw/zinc/17/51/63/1067175163.db2.gz ZXIJEJTXDFZNAM-HNNXBMFYSA-N 0 0 453.308 4.656 20 0 JJADRN Nn1c(SCc2ccc(F)c(Br)c2)nnc1-c1cccc(Br)c1 ZINC001458858672 1067175621 /nfs/dbraw/zinc/17/56/21/1067175621.db2.gz CBPGYTNRCAGNCE-UHFFFAOYSA-N 0 0 458.154 4.615 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC[C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001451519809 1067176078 /nfs/dbraw/zinc/17/60/78/1067176078.db2.gz CECSCUGCQJZNIW-CEXWTWQISA-N 0 0 456.656 4.668 20 0 JJADRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458859876 1067176159 /nfs/dbraw/zinc/17/61/59/1067176159.db2.gz XLIDOVATUCWGMG-CXAGYDPISA-N 0 0 450.423 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC1(O)CCCCCC1 ZINC001545826770 1067176310 /nfs/dbraw/zinc/17/63/10/1067176310.db2.gz SXJLANQHHLVJNC-QGZVFWFLSA-N 0 0 477.600 4.757 20 0 JJADRN CC(C)(C)c1ccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 ZINC001458860759 1067176671 /nfs/dbraw/zinc/17/66/71/1067176671.db2.gz HIDWWIRZJHBIMC-UHFFFAOYSA-N 0 0 452.624 4.963 20 0 JJADRN CCC(C)(C)NC(=O)[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(C)C ZINC001458861187 1067176713 /nfs/dbraw/zinc/17/67/13/1067176713.db2.gz MXKUDOPNPLBQIX-GOSISDBHSA-N 0 0 450.052 4.942 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](OC)C(C)(C)C2)on1 ZINC001545826963 1067176823 /nfs/dbraw/zinc/17/68/23/1067176823.db2.gz XYWAQCOXWXLVLZ-CEMLEFRQSA-N 0 0 473.662 4.998 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccc(C)c2ccccc12 ZINC001451523830 1067176794 /nfs/dbraw/zinc/17/67/94/1067176794.db2.gz FOROWLNATNEPBW-VWLOTQADSA-N 0 0 457.599 4.864 20 0 JJADRN COc1cc(/C=C\C(=O)NCC2(c3c(F)cccc3F)CCC2)cc(Br)c1O ZINC001451533824 1067177253 /nfs/dbraw/zinc/17/72/53/1067177253.db2.gz ORZDYDVUHZPFTK-SREVYHEPSA-N 0 0 452.295 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1C[C@@H]1CCCOC1 ZINC001545827044 1067177420 /nfs/dbraw/zinc/17/74/20/1067177420.db2.gz ZCRGUJXVEPXUQJ-ROUUACIJSA-N 0 0 453.587 4.567 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)ccc1-n1nnnc1C(C)C ZINC001458864221 1067177778 /nfs/dbraw/zinc/17/77/78/1067177778.db2.gz RDIQRQQIZBAKHS-UHFFFAOYSA-N 0 0 456.337 4.839 20 0 JJADRN O=C(OCc1cc(Cl)cc2c1OCC2)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001458863886 1067177803 /nfs/dbraw/zinc/17/78/03/1067177803.db2.gz LCTFRXDZSIDQGH-IBGZPJMESA-N 0 0 450.760 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1Cc1nc(C(F)(F)F)cs1 ZINC001545828041 1067178256 /nfs/dbraw/zinc/17/82/56/1067178256.db2.gz IVDRTZHKTGJWKR-UHFFFAOYSA-N 0 0 466.533 4.796 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001451571343 1067178463 /nfs/dbraw/zinc/17/84/63/1067178463.db2.gz CJZNGEOOYQQPAB-ZWKOTPCHSA-N 0 0 452.551 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001545828425 1067179101 /nfs/dbraw/zinc/17/91/01/1067179101.db2.gz UJYUYHFSZWXOII-SIKLNZKXSA-N 0 0 498.672 4.918 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001451577277 1067179196 /nfs/dbraw/zinc/17/91/96/1067179196.db2.gz OOHXEWDVUMTVCM-QUCCMNQESA-N 0 0 451.567 4.671 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001451572289 1067179209 /nfs/dbraw/zinc/17/92/09/1067179209.db2.gz DXCZFQWRUXTCSW-ZHALLVOQSA-N 0 0 453.421 4.827 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC(C)(C)OCC3CC3)ccc2C)c(C)c1 ZINC001451574644 1067179245 /nfs/dbraw/zinc/17/92/45/1067179245.db2.gz KQIPEFMZMLJAAM-UHFFFAOYSA-N 0 0 458.624 4.656 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001451572286 1067179263 /nfs/dbraw/zinc/17/92/63/1067179263.db2.gz DXCZFQWRUXTCSW-YQVWRLOYSA-N 0 0 453.421 4.827 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001545828396 1067179226 /nfs/dbraw/zinc/17/92/26/1067179226.db2.gz SRPSIGIYCHQDFE-SFHVURJKSA-N 0 0 466.399 4.659 20 0 JJADRN CSc1ccc(OCCSc2nnc(COc3c(Cl)cccc3Cl)n2N)cc1 ZINC001458869701 1067179494 /nfs/dbraw/zinc/17/94/94/1067179494.db2.gz ZVUFDLHEXLJMHG-UHFFFAOYSA-N 0 0 457.408 4.771 20 0 JJADRN COc1cccc(SCCSc2nnc(COc3c(Cl)cccc3Cl)n2N)c1 ZINC001458868042 1067179514 /nfs/dbraw/zinc/17/95/14/1067179514.db2.gz OXNHGLLRYYWFER-UHFFFAOYSA-N 0 0 457.408 4.771 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1Cc1ccccc1OC(F)F ZINC001545830171 1067179787 /nfs/dbraw/zinc/17/97/87/1067179787.db2.gz ONDXCPGWPJRZSX-QFBILLFUSA-N 0 0 463.573 4.861 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001545829729 1067179941 /nfs/dbraw/zinc/17/99/41/1067179941.db2.gz FFKXTROVZCPCHT-GCJKJVERSA-N 0 0 495.647 4.893 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)c2ccc(Br)cc2n1 ZINC001458870752 1067180397 /nfs/dbraw/zinc/18/03/97/1067180397.db2.gz BYMCPWKKEGEQSW-UHFFFAOYSA-N 0 0 451.328 4.792 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001451586118 1067180474 /nfs/dbraw/zinc/18/04/74/1067180474.db2.gz JJKPYOYIDDMBKS-LSWJPFSZSA-N 0 0 453.583 4.529 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC001451595545 1067180504 /nfs/dbraw/zinc/18/05/04/1067180504.db2.gz BNQVPHSBTIUFBG-QGZVFWFLSA-N 0 0 458.477 4.933 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001545829852 1067180516 /nfs/dbraw/zinc/18/05/16/1067180516.db2.gz HXVLVJRFOCEZSY-YKSBVNFPSA-N 0 0 477.657 4.640 20 0 JJADRN Cc1ccnn1-c1ccccc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001458871026 1067180812 /nfs/dbraw/zinc/18/08/12/1067180812.db2.gz DCMUCJPQGJUDAZ-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001545830065 1067180817 /nfs/dbraw/zinc/18/08/17/1067180817.db2.gz MFOGDFSBILDAIT-ZIYZLLSTSA-N 0 0 476.065 4.773 20 0 JJADRN C[C@H](CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O)CC(F)(F)F ZINC001451629593 1067180819 /nfs/dbraw/zinc/18/08/19/1067180819.db2.gz DFEWCOGULRMOET-NSHDSACASA-N 0 0 459.262 4.725 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCC=C(C)C ZINC001545830033 1067180826 /nfs/dbraw/zinc/18/08/26/1067180826.db2.gz LROQBGZFDKQOEK-HSZRJFAPSA-N 0 0 452.647 4.658 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br)CC(F)(F)F ZINC001451627844 1067181044 /nfs/dbraw/zinc/18/10/44/1067181044.db2.gz BURIDWOCTDWQRM-SMDDNHRTSA-N 0 0 453.299 4.720 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001458872981 1067181668 /nfs/dbraw/zinc/18/16/68/1067181668.db2.gz DKWXZPYKFCEINH-ZJOUEHCJSA-N 0 0 452.636 4.821 20 0 JJADRN COc1ccc2c(c1)nc(SCC1(CS(C)(=O)=O)CCOCC1)cc2-c1ccccc1 ZINC001458874153 1067181755 /nfs/dbraw/zinc/18/17/55/1067181755.db2.gz CXUUBKDHGBVSIZ-UHFFFAOYSA-N 0 0 457.617 4.844 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1c(C)nn(Cc3ccc(F)cc3)c1Cl)C2 ZINC001451641076 1067181858 /nfs/dbraw/zinc/18/18/58/1067181858.db2.gz MISXHRBFFAJJCZ-UHFFFAOYSA-N 0 0 457.933 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545831872 1067182114 /nfs/dbraw/zinc/18/21/14/1067182114.db2.gz AEQQXILTSFJKHR-OWFGXHLJSA-N 0 0 489.668 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545831875 1067182369 /nfs/dbraw/zinc/18/23/69/1067182369.db2.gz AEQQXILTSFJKHR-VVMUCNELSA-N 0 0 489.668 4.819 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Cl)c(F)cc2Br)cc1-c1nnnn1C1CC1 ZINC001458875531 1067182412 /nfs/dbraw/zinc/18/24/12/1067182412.db2.gz MZLJJRXTQHVECP-UHFFFAOYSA-N 0 0 450.699 4.791 20 0 JJADRN CCOC(=O)c1c(C)n[nH]c1CSc1nnc(Nc2cccc(Br)c2)s1 ZINC001458874389 1067182529 /nfs/dbraw/zinc/18/25/29/1067182529.db2.gz ROOUUCMDPWTTIB-UHFFFAOYSA-N 0 0 454.375 4.545 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)c2ccccc21 ZINC001545832938 1067183018 /nfs/dbraw/zinc/18/30/18/1067183018.db2.gz GSXMIAJFMXMKSI-KRWDZBQOSA-N 0 0 453.526 4.537 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)noc2C)n1Cc1ccc(C)cc1SC ZINC001545833611 1067183587 /nfs/dbraw/zinc/18/35/87/1067183587.db2.gz DWHMMKZWORYDEI-UHFFFAOYSA-N 0 0 470.643 4.516 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c2ccccc21 ZINC001545832944 1067183653 /nfs/dbraw/zinc/18/36/53/1067183653.db2.gz GURTYKCEBVQIFP-WMZOPIPTSA-N 0 0 455.396 4.773 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1C[C@@H]1CCCc2cc(OC)ccc21 ZINC001545833759 1067183682 /nfs/dbraw/zinc/18/36/82/1067183682.db2.gz JQGITVBBGBVKTJ-IBGZPJMESA-N 0 0 496.681 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CC1 ZINC001451654093 1067183687 /nfs/dbraw/zinc/18/36/87/1067183687.db2.gz LQKGUYOJCSZRCF-QGZVFWFLSA-N 0 0 458.946 4.898 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001458877533 1067183732 /nfs/dbraw/zinc/18/37/32/1067183732.db2.gz OPSPEQVSEYOCPM-KRWDZBQOSA-N 0 0 453.404 4.597 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N([C@H](C)C(=O)OC(C)(C)C)C2CC2)c2ccccc2)cc1 ZINC001451659547 1067184652 /nfs/dbraw/zinc/18/46/52/1067184652.db2.gz HZYNWZQGWQEFGI-AUSIDOKSSA-N 0 0 450.579 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCc1scnc1C ZINC001545835382 1067184639 /nfs/dbraw/zinc/18/46/39/1067184639.db2.gz WHBVDMZULDHHFE-UHFFFAOYSA-N 0 0 494.587 4.859 20 0 JJADRN COCCn1c(=O)c2cc(Br)ccc2nc1SCc1ccc(Cl)c(F)c1 ZINC001458881184 1067184961 /nfs/dbraw/zinc/18/49/61/1067184961.db2.gz HFQWFOMDWOJLEX-UHFFFAOYSA-N 0 0 457.752 4.890 20 0 JJADRN CC(C)N1CCc2nc(NC(=O)CCOc3ccc(Cl)cc3Br)sc2C1 ZINC001458879804 1067185000 /nfs/dbraw/zinc/18/50/00/1067185000.db2.gz VDODUJRBJMDBKW-UHFFFAOYSA-N 0 0 458.809 4.733 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@H]1CC=CCC1 ZINC001545834871 1067185437 /nfs/dbraw/zinc/18/54/37/1067185437.db2.gz CZPIYHDKQBGQSQ-KRWDZBQOSA-N 0 0 474.447 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCc1c[nH]c2c1cccc2C ZINC001545834927 1067185475 /nfs/dbraw/zinc/18/54/75/1067185475.db2.gz GDIZGTCCZZWXJX-UHFFFAOYSA-N 0 0 494.043 4.914 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC001458881939 1067185560 /nfs/dbraw/zinc/18/55/60/1067185560.db2.gz UNAIUSNZKSHIFF-VQTJNVASSA-N 0 0 462.493 4.934 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@H]1COc2cc(F)cc(F)c21 ZINC001458881562 1067185566 /nfs/dbraw/zinc/18/55/66/1067185566.db2.gz YAWMWSWCJDWKNE-FQEVSTJZSA-N 0 0 458.505 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1Cc1cc(F)ccc1OC ZINC001545834982 1067186001 /nfs/dbraw/zinc/18/60/01/1067186001.db2.gz HMSKHZXSXDYUIT-UHFFFAOYSA-N 0 0 480.009 4.744 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)c3ccc4c(c3)[C@H](CNC(=O)OC(C)(C)C)CCC4)cc2C1 ZINC001458883144 1067186159 /nfs/dbraw/zinc/18/61/59/1067186159.db2.gz WYKGCPNJRBGPPR-REWPJTCUSA-N 0 0 450.579 4.997 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458884970 1067186204 /nfs/dbraw/zinc/18/62/04/1067186204.db2.gz QDKCVPQFOLAGKP-LSDHHAIUSA-N 0 0 454.851 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(C)cc1C ZINC001545835180 1067186550 /nfs/dbraw/zinc/18/65/50/1067186550.db2.gz NTSIFZCLXRQWJH-UHFFFAOYSA-N 0 0 455.006 4.546 20 0 JJADRN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)n2)cc1 ZINC001458885686 1067186635 /nfs/dbraw/zinc/18/66/35/1067186635.db2.gz ZNAIWDGLZWZZCM-CQSZACIVSA-N 0 0 452.511 4.918 20 0 JJADRN COC1(C(F)(F)F)CCN(C(=O)c2oc3ccccc3c2CSc2ncccn2)CC1 ZINC001451698806 1067186837 /nfs/dbraw/zinc/18/68/37/1067186837.db2.gz MBGKXKMTDOFGON-UHFFFAOYSA-N 0 0 451.470 4.699 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@H]1CCCCC1(F)F ZINC001545835402 1067187141 /nfs/dbraw/zinc/18/71/41/1067187141.db2.gz WUADHXFIQAWBKO-MRXNPFEDSA-N 0 0 469.527 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)o2)n1CCc1ccc(Br)cc1 ZINC001545835377 1067187153 /nfs/dbraw/zinc/18/71/53/1067187153.db2.gz WDEVHAQBLHWPQA-UHFFFAOYSA-N 0 0 488.430 4.740 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001545835406 1067187180 /nfs/dbraw/zinc/18/71/80/1067187180.db2.gz WXKNNGOCZKTQEK-NQIIRXRSSA-N 0 0 461.676 4.654 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1Cc1ccc(OC)cc1F ZINC001545835323 1067187238 /nfs/dbraw/zinc/18/72/38/1067187238.db2.gz UFRRFHXALRHTNF-UHFFFAOYSA-N 0 0 480.009 4.744 20 0 JJADRN NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458889063 1067187221 /nfs/dbraw/zinc/18/72/21/1067187221.db2.gz PFKSCAOKTLKZTI-GOSISDBHSA-N 0 0 458.465 4.735 20 0 JJADRN C[C@H]1CCc2c(sc3nc(SC[C@](C)(O)C(F)F)n(-c4ccccc4F)c(=O)c23)C1 ZINC001458888372 1067187240 /nfs/dbraw/zinc/18/72/40/1067187240.db2.gz OFFLLNLATIYGFB-MQJDWESPSA-N 0 0 454.539 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@]1(C)CCCO1 ZINC001545835434 1067187626 /nfs/dbraw/zinc/18/76/26/1067187626.db2.gz XZTLDFJKMXMZMZ-JOCHJYFZSA-N 0 0 485.526 4.560 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@@H]1COCc2ccccc21)c1ccccc1Br ZINC001451721257 1067188415 /nfs/dbraw/zinc/18/84/15/1067188415.db2.gz GFXSCKRKLXDUMM-OAQYLSRUSA-N 0 0 451.320 4.703 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@H]1COCc2ccccc21)c1ccccc1Br ZINC001451721252 1067188459 /nfs/dbraw/zinc/18/84/59/1067188459.db2.gz GFXSCKRKLXDUMM-NRFANRHFSA-N 0 0 451.320 4.703 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001451724160 1067188519 /nfs/dbraw/zinc/18/85/19/1067188519.db2.gz JKRMZRGQKIDDHW-MSOLQXFVSA-N 0 0 452.389 4.724 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CSc3nnc(-c4cccc(Cl)c4)o3)cc2)C[C@@H](C)O1 ZINC001458892460 1067188613 /nfs/dbraw/zinc/18/86/13/1067188613.db2.gz HXXLNUJXBSULLP-HUUCEWRRSA-N 0 0 458.971 4.734 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1C[C@H]1CCCCS1 ZINC001545836302 1067188867 /nfs/dbraw/zinc/18/88/67/1067188867.db2.gz IVDJZNSQFUODPO-JOCHJYFZSA-N 0 0 466.655 4.667 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001451730255 1067188903 /nfs/dbraw/zinc/18/89/03/1067188903.db2.gz GDYMIXPLCCMPIT-QUCCMNQESA-N 0 0 451.007 4.899 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451730315 1067188960 /nfs/dbraw/zinc/18/89/60/1067188960.db2.gz GNCNDRASWMNRNC-DZGCQCFKSA-N 0 0 455.805 4.736 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CC[C@H]1C[C@H](F)C1 ZINC001545836500 1067189672 /nfs/dbraw/zinc/18/96/72/1067189672.db2.gz PBHVYVMTIYLVMU-JCNLHEQBSA-N 0 0 469.527 4.990 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1Cc1cccs1 ZINC001545836516 1067189694 /nfs/dbraw/zinc/18/96/94/1067189694.db2.gz PGQBURQMTUYUHM-UHFFFAOYSA-N 0 0 465.545 4.962 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1Cc1ccccc1Br ZINC001451735094 1067189760 /nfs/dbraw/zinc/18/97/60/1067189760.db2.gz HMYHACDFUUFYKE-FXAWDEMLSA-N 0 0 455.318 4.876 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001546104565 1067189729 /nfs/dbraw/zinc/18/97/29/1067189729.db2.gz BFXJVPLUDKKICO-SFHVURJKSA-N 0 0 474.447 4.639 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H]1CCSC1(C)C ZINC001545836771 1067190093 /nfs/dbraw/zinc/19/00/93/1067190093.db2.gz YUMQRDXAGADBHM-INIZCTEOSA-N 0 0 465.614 4.643 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001451737051 1067190075 /nfs/dbraw/zinc/19/00/75/1067190075.db2.gz HEYVDRKUGRRSKN-ZGXWSNOMSA-N 0 0 467.651 4.564 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC001458900737 1067190138 /nfs/dbraw/zinc/19/01/38/1067190138.db2.gz HJYONMAGSZXQJO-UHFFFAOYSA-N 0 0 457.486 4.859 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1Cc1nc(C)c(C)s1 ZINC001545836716 1067190166 /nfs/dbraw/zinc/19/01/66/1067190166.db2.gz WOVDYFHWGHTHAB-UHFFFAOYSA-N 0 0 477.638 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1C[C@@H](C)c1ncc(C)s1 ZINC001545836754 1067190212 /nfs/dbraw/zinc/19/02/12/1067190212.db2.gz XRDATCGDVZJDGF-QGZVFWFLSA-N 0 0 454.644 4.710 20 0 JJADRN CC(=O)CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001545837318 1067190844 /nfs/dbraw/zinc/19/08/44/1067190844.db2.gz WZSRHRGDINGOKQ-AREMUKBSSA-N 0 0 456.542 4.704 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccs2)n1Cc1c(F)cccc1N1CCCC1 ZINC001545837500 1067190866 /nfs/dbraw/zinc/19/08/66/1067190866.db2.gz FSNPRZALQDICKC-UHFFFAOYSA-N 0 0 484.645 4.682 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnc(C)s2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545837474 1067190972 /nfs/dbraw/zinc/19/09/72/1067190972.db2.gz DTVXJWVRDOPWKK-UHFFFAOYSA-N 0 0 476.597 4.758 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1n[nH]c(C=Cc2ccccc2)n1 ZINC001458903680 1067191305 /nfs/dbraw/zinc/19/13/05/1067191305.db2.gz NUKHERQDHIGBQN-XMXAVACDSA-N 0 0 456.593 4.895 20 0 JJADRN COC(=O)[C@@H](Sc1nncn1-c1cccc(NC(C)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC001458904420 1067191341 /nfs/dbraw/zinc/19/13/41/1067191341.db2.gz WBEPHTYGGPETIM-KRWDZBQOSA-N 0 0 451.335 4.539 20 0 JJADRN CN(CCC1CCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001545838618 1067192062 /nfs/dbraw/zinc/19/20/62/1067192062.db2.gz WRKSRMBKIFIDQN-FQEVSTJZSA-N 0 0 452.636 4.630 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1sc(C)nc1-c1cccs1 ZINC001458905745 1067192043 /nfs/dbraw/zinc/19/20/43/1067192043.db2.gz GTOKTYQOTNCTKP-XMMPIXPASA-N 0 0 454.617 4.890 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N1CCc2cc(Br)cc(F)c21 ZINC001458907069 1067192450 /nfs/dbraw/zinc/19/24/50/1067192450.db2.gz JOLIUVCMLMGYOE-UHFFFAOYSA-N 0 0 453.109 4.510 20 0 JJADRN CC[C@@H]1CN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CC)O1 ZINC001451804004 1067192599 /nfs/dbraw/zinc/19/25/99/1067192599.db2.gz IOTVGJQVNNXUNE-WOJBJXKFSA-N 0 0 450.579 4.673 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC001451807021 1067192616 /nfs/dbraw/zinc/19/26/16/1067192616.db2.gz ROJUUGCXZOTHMP-BGWNEDDSSA-N 0 0 469.423 4.934 20 0 JJADRN COc1ccc(C(=O)N2CCc3cc(Br)cc(F)c32)c(OCCOC(C)C)c1 ZINC001458906871 1067192575 /nfs/dbraw/zinc/19/25/75/1067192575.db2.gz IVWQMOSWTSCWKM-UHFFFAOYSA-N 0 0 452.320 4.604 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC001458907050 1067192622 /nfs/dbraw/zinc/19/26/22/1067192622.db2.gz JLLVIYWSHLONOM-XMMPIXPASA-N 0 0 453.564 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1CCc1sc(C)nc1C ZINC001545839064 1067192718 /nfs/dbraw/zinc/19/27/18/1067192718.db2.gz NTTHJTHTSDRJLZ-UHFFFAOYSA-N 0 0 497.694 4.759 20 0 JJADRN Cc1oc2nc(S[C@@H](C)C(=O)Nc3nccs3)nc(NC(=O)c3ccccc3)c2c1C ZINC001458908024 1067193089 /nfs/dbraw/zinc/19/30/89/1067193089.db2.gz QVHCCJCHEOTTCY-ZDUSSCGKSA-N 0 0 453.549 4.668 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC001545840253 1067193181 /nfs/dbraw/zinc/19/31/81/1067193181.db2.gz XZIVMFYREXFNIM-HSZRJFAPSA-N 0 0 450.579 4.938 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC001545839656 1067193209 /nfs/dbraw/zinc/19/32/09/1067193209.db2.gz IGJQQSMEWKSKCP-UHFFFAOYSA-N 0 0 454.162 4.506 20 0 JJADRN Cc1ccc2c(c1)CCN(C(=O)Cc1ccc(NC(=O)c3ccc(Br)o3)cc1)C2 ZINC001451819889 1067193231 /nfs/dbraw/zinc/19/32/31/1067193231.db2.gz JHSWAIVREPCSSB-UHFFFAOYSA-N 0 0 453.336 4.730 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@@H]1CCCC1(C)C ZINC001545840425 1067193247 /nfs/dbraw/zinc/19/32/47/1067193247.db2.gz CICSQYSPCLNMNE-RBBKRZOGSA-N 0 0 496.700 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC001545840254 1067193323 /nfs/dbraw/zinc/19/33/23/1067193323.db2.gz XZIVMFYREXFNIM-QHCPKHFHSA-N 0 0 450.579 4.938 20 0 JJADRN CC[C@H]1CN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451851142 1067193916 /nfs/dbraw/zinc/19/39/16/1067193916.db2.gz OQEWALOGDORIQN-OALUTQOASA-N 0 0 450.579 4.720 20 0 JJADRN O=C(Nc1ccccc1O[C@H]1CC(=O)N1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001451849233 1067193953 /nfs/dbraw/zinc/19/39/53/1067193953.db2.gz ZPWRYHZLFCUJQB-NRFANRHFSA-N 0 0 453.292 4.719 20 0 JJADRN O=C(Nc1ccccc1O[C@@H]1CC(=O)N1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001451849235 1067194055 /nfs/dbraw/zinc/19/40/55/1067194055.db2.gz ZPWRYHZLFCUJQB-OAQYLSRUSA-N 0 0 453.292 4.719 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)c2ccccc2)n1 ZINC001458910669 1067194198 /nfs/dbraw/zinc/19/41/98/1067194198.db2.gz IAUIYWBCHPLMAF-MRXNPFEDSA-N 0 0 454.246 4.873 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(Br)c1Cl ZINC001458911662 1067194263 /nfs/dbraw/zinc/19/42/63/1067194263.db2.gz QEIBZSSAZHHHCF-OAQYLSRUSA-N 0 0 450.760 4.883 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001451859202 1067194624 /nfs/dbraw/zinc/19/46/24/1067194624.db2.gz QSYRQWYQDWMTTO-QLXWVXHUSA-N 0 0 479.662 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CC(C)(C)c1cccs1 ZINC001545842243 1067195059 /nfs/dbraw/zinc/19/50/59/1067195059.db2.gz QPTIQMGJJCRIPO-IBGZPJMESA-N 0 0 497.665 4.512 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1CC1(c2ccccc2C)CC1 ZINC001545842111 1067195114 /nfs/dbraw/zinc/19/51/14/1067195114.db2.gz MBPBRNBYCZDYSO-UHFFFAOYSA-N 0 0 451.537 4.625 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545842041 1067195116 /nfs/dbraw/zinc/19/51/16/1067195116.db2.gz JIRYKSWOQWIJRN-XUTJKUGGSA-N 0 0 471.621 4.707 20 0 JJADRN CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H](CC)C(=O)OCC ZINC001458915889 1067195445 /nfs/dbraw/zinc/19/54/45/1067195445.db2.gz RYFHHHXOGMVOKJ-HSZRJFAPSA-N 0 0 451.542 4.801 20 0 JJADRN Cc1ccc2nc(SCc3cc(C)c(I)cc3C)n(C)c(=O)c2c1 ZINC001458914378 1067195475 /nfs/dbraw/zinc/19/54/75/1067195475.db2.gz FNDMLJPGFABKIN-UHFFFAOYSA-N 0 0 450.345 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(OC)c(F)c1 ZINC001545843867 1067195626 /nfs/dbraw/zinc/19/56/26/1067195626.db2.gz LIZYZXCJIBRPKH-KRWDZBQOSA-N 0 0 459.610 4.798 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001458916658 1067195928 /nfs/dbraw/zinc/19/59/28/1067195928.db2.gz OENJWDOWVISWCM-UHFFFAOYSA-N 0 0 452.153 4.941 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c(F)cccc2F)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545844122 1067196183 /nfs/dbraw/zinc/19/61/83/1067196183.db2.gz SYSGVVFWPSDMSF-IBGZPJMESA-N 0 0 481.538 4.937 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)OC(C)(C)C)s2)cc1 ZINC001451880625 1067196450 /nfs/dbraw/zinc/19/64/50/1067196450.db2.gz JSKREJZWPWAAMQ-FOIQADDNSA-N 0 0 458.580 4.591 20 0 JJADRN COc1cc(CCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1OCC(F)(F)F ZINC001451898514 1067196478 /nfs/dbraw/zinc/19/64/78/1067196478.db2.gz MREFZOZVQYIOKU-IAGOWNOFSA-N 0 0 474.520 4.521 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)n1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001545844684 1067196850 /nfs/dbraw/zinc/19/68/50/1067196850.db2.gz LVXVTZOPXXHCCW-MRXNPFEDSA-N 0 0 450.505 4.945 20 0 JJADRN O=C(NCC1(c2cccc(F)c2F)CCCC1)c1ccc(F)c(I)c1 ZINC001458920548 1067197704 /nfs/dbraw/zinc/19/77/04/1067197704.db2.gz NPJMYEUTZQDFGW-UHFFFAOYSA-N 0 0 459.249 4.950 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@H](C)c2oc3ccccc3c2C)C1 ZINC001458920489 1067197784 /nfs/dbraw/zinc/19/77/84/1067197784.db2.gz HCJBVMIQHBQBFM-DZTNWFRXSA-N 0 0 450.535 4.735 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 ZINC001545845817 1067197965 /nfs/dbraw/zinc/19/79/65/1067197965.db2.gz SXIZMSXPTAWQOI-UHFFFAOYSA-N 0 0 498.550 4.886 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001451916799 1067198219 /nfs/dbraw/zinc/19/82/19/1067198219.db2.gz QTJLUVYVGUSPLK-TZMCWYRMSA-N 0 0 455.502 4.705 20 0 JJADRN O=C(c1sc(-c2ccccc2)nc1C(F)F)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001458923619 1067198335 /nfs/dbraw/zinc/19/83/35/1067198335.db2.gz ZJLOJZMHDLHTPZ-UHFFFAOYSA-N 0 0 454.424 4.522 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C2(OCc3ccccc3)CCOCC2)c1 ZINC001451925834 1067198629 /nfs/dbraw/zinc/19/86/29/1067198629.db2.gz YQNKJGPIQFCUBS-UHFFFAOYSA-N 0 0 454.567 4.724 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC001451920384 1067198776 /nfs/dbraw/zinc/19/87/76/1067198776.db2.gz NRXHKSVEMULNOH-PLMTUMEDSA-N 0 0 458.990 4.621 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2c(F)cccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001545846305 1067198767 /nfs/dbraw/zinc/19/87/67/1067198767.db2.gz JNGOVZIMIFGTHN-LJQANCHMSA-N 0 0 452.448 4.995 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001458924533 1067198862 /nfs/dbraw/zinc/19/88/62/1067198862.db2.gz NBOKAEOVAKWMLO-UHFFFAOYSA-N 0 0 455.125 4.510 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001546104783 1067198883 /nfs/dbraw/zinc/19/88/83/1067198883.db2.gz IZRDZRMUINEKOJ-UUOWRZLLSA-N 0 0 461.676 4.904 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451934837 1067199315 /nfs/dbraw/zinc/19/93/15/1067199315.db2.gz BKJFNOZPGYTFSY-HVETUWLQSA-N 0 0 453.583 4.652 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001451929175 1067199366 /nfs/dbraw/zinc/19/93/66/1067199366.db2.gz OPKYFNSWTUCZNF-UHFFFAOYSA-N 0 0 453.667 4.587 20 0 JJADRN 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CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC2CC2)C1 ZINC001546105007 1067204412 /nfs/dbraw/zinc/20/44/12/1067204412.db2.gz QVTNVEAFJMVOSF-UHFFFAOYSA-N 0 0 450.425 4.869 20 0 JJADRN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 ZINC001452038057 1067204608 /nfs/dbraw/zinc/20/46/08/1067204608.db2.gz AAQWZCSTTJHXDT-FQEVSTJZSA-N 0 0 455.481 4.678 20 0 JJADRN Cc1cc(=O)[nH]c(NC(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001452041311 1067204737 /nfs/dbraw/zinc/20/47/37/1067204737.db2.gz GVBGGDTXJCYASD-VWLOTQADSA-N 0 0 459.546 4.940 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001545849994 1067204819 /nfs/dbraw/zinc/20/48/19/1067204819.db2.gz XPRLVZXRHXQTFP-RTBURBONSA-N 0 0 480.657 4.608 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(OC)c(OC)c1)C1CC1 ZINC001458946037 1067204932 /nfs/dbraw/zinc/20/49/32/1067204932.db2.gz MFDIAWZJYDRYDN-HXUWFJFHSA-N 0 0 452.334 4.920 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)c1C ZINC001458948066 1067205265 /nfs/dbraw/zinc/20/52/65/1067205265.db2.gz QWSMGMVZYPZWLX-UHFFFAOYSA-N 0 0 455.946 4.815 20 0 JJADRN Cc1cc2n[nH]c(NC(=O)[C@H](Sc3ccc(F)c(Cl)c3)c3ccccc3)c2c(=O)n1C ZINC001452045536 1067205369 /nfs/dbraw/zinc/20/53/69/1067205369.db2.gz VOMCRXILDICUJF-LJQANCHMSA-N 0 0 456.930 4.835 20 0 JJADRN CCOc1ncc(C(=O)OCc2ccc(I)c(Cl)c2)cc1Cl ZINC001458948890 1067205795 /nfs/dbraw/zinc/20/57/95/1067205795.db2.gz KMUPIRVOLNBGBB-UHFFFAOYSA-N 0 0 452.075 4.749 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)C1(C)C ZINC001452080938 1067205899 /nfs/dbraw/zinc/20/58/99/1067205899.db2.gz ODIZZUSVLIEORC-FLPMJASOSA-N 0 0 456.587 4.529 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)C1(C)C ZINC001452080936 1067206029 /nfs/dbraw/zinc/20/60/29/1067206029.db2.gz ODIZZUSVLIEORC-CVBYOTHMSA-N 0 0 456.587 4.529 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)CN2c3ccccc3Sc3ccccc32)cc1Cl ZINC001458951053 1067206264 /nfs/dbraw/zinc/20/62/64/1067206264.db2.gz KUGYGFRNRZEGCB-UHFFFAOYSA-N 0 0 458.992 4.663 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)cc1Cl ZINC001458950993 1067206305 /nfs/dbraw/zinc/20/63/05/1067206305.db2.gz KRCINVTVTCJQHM-UHFFFAOYSA-N 0 0 457.983 4.652 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H](C)Sc2cc(Br)ccc2OC)cc1OC ZINC001458951477 1067206341 /nfs/dbraw/zinc/20/63/41/1067206341.db2.gz HPHRDGIXSFYZFB-ZDUSSCGKSA-N 0 0 454.386 4.614 20 0 JJADRN CCOC(=O)C1=C(CSc2nc3cc(Cl)cc(C)c3o2)NC(=O)N[C@H]1c1ccccc1 ZINC001458951539 1067206365 /nfs/dbraw/zinc/20/63/65/1067206365.db2.gz VIXMMLWLZJEUEA-SFHVURJKSA-N 0 0 457.939 4.753 20 0 JJADRN O=C(NC1CC(N2CCOCC2)C1)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001452084884 1067206433 /nfs/dbraw/zinc/20/64/33/1067206433.db2.gz FVVUKAIKENWVDF-UHFFFAOYSA-N 0 0 451.419 4.879 20 0 JJADRN O=C(NC1CC(N2CCOCC2)C1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001452088372 1067206572 /nfs/dbraw/zinc/20/65/72/1067206572.db2.gz MRVVWCHUMAAAPA-UHFFFAOYSA-N 0 0 451.419 4.879 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)c1ccc(F)cc1NC(=O)OC(C)(C)C ZINC001452093680 1067207168 /nfs/dbraw/zinc/20/71/68/1067207168.db2.gz LFOZVFUGIYVVCO-UHFFFAOYSA-N 0 0 453.555 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@]3(C)Cc3cccc(F)c3)n[nH]2)C1 ZINC001452094287 1067207211 /nfs/dbraw/zinc/20/72/11/1067207211.db2.gz UYEVAGWMAOYVEM-AVRWGWEMSA-N 0 0 456.562 4.511 20 0 JJADRN O=C(NC1CC(N2CCOCC2)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001452102365 1067207579 /nfs/dbraw/zinc/20/75/79/1067207579.db2.gz VICBHQIDWNIAOF-UHFFFAOYSA-N 0 0 451.419 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)c2ccccc21 ZINC001452124118 1067207792 /nfs/dbraw/zinc/20/77/92/1067207792.db2.gz DCFOIINZBNCGDB-JXHRLWIKSA-N 0 0 451.567 4.737 20 0 JJADRN CCCCc1nc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)c(C(=O)OCC)[nH]1 ZINC001458955852 1067207972 /nfs/dbraw/zinc/20/79/72/1067207972.db2.gz RRAUZMRDMNUUCN-UHFFFAOYSA-N 0 0 453.543 4.820 20 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O=C(CSc1nnc(CCc2ccccc2)o1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC001458960651 1067209504 /nfs/dbraw/zinc/20/95/04/1067209504.db2.gz LPPFHQWAZOVLAA-UHFFFAOYSA-N 0 0 450.467 4.613 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC001546036157 1067209574 /nfs/dbraw/zinc/20/95/74/1067209574.db2.gz LVTLFHJGZULTIS-UHFFFAOYSA-N 0 0 452.580 4.630 20 0 JJADRN Cc1ccc(-c2csc(CSc3nnc(-c4cncc(Br)c4)n3N)n2)cc1 ZINC001458960829 1067209556 /nfs/dbraw/zinc/20/95/56/1067209556.db2.gz RJXRSKLTEIKANG-UHFFFAOYSA-N 0 0 459.398 4.541 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001452151458 1067209921 /nfs/dbraw/zinc/20/99/21/1067209921.db2.gz ONXULVNUFZEMJC-INIZCTEOSA-N 0 0 458.971 4.933 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC12CC=CC2 ZINC001452151045 1067209981 /nfs/dbraw/zinc/20/99/81/1067209981.db2.gz HOZRDKWJLHMWJE-QFIPXVFZSA-N 0 0 459.011 4.982 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2nccn2-c2ccccc2)c1)c1ccc(Br)o1 ZINC001458962725 1067209935 /nfs/dbraw/zinc/20/99/35/1067209935.db2.gz WZFFPXXCMNOZPJ-UHFFFAOYSA-N 0 0 451.280 4.732 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001458961664 1067210022 /nfs/dbraw/zinc/21/00/22/1067210022.db2.gz NMXNQJSKGSFNEC-UHFFFAOYSA-N 0 0 453.341 4.652 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@]12CCC(=O)N1c1ccccc1S2)Oc1ccc(Cl)c(Cl)c1 ZINC001458963755 1067210412 /nfs/dbraw/zinc/21/04/12/1067210412.db2.gz XJUBBHGPSYTEFC-YEJXKQKISA-N 0 0 451.375 4.848 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)C[C@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001458963602 1067210487 /nfs/dbraw/zinc/21/04/87/1067210487.db2.gz ALHPPZOPVDLOGW-HNNXBMFYSA-N 0 0 458.407 4.889 20 0 JJADRN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001458963786 1067210517 /nfs/dbraw/zinc/21/05/17/1067210517.db2.gz XNDIUKDEQOTOQW-OLZOCXBDSA-N 0 0 457.304 4.550 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)o1 ZINC001452154730 1067210999 /nfs/dbraw/zinc/21/09/99/1067210999.db2.gz UWVFBFAJUVFWSQ-KRWDZBQOSA-N 0 0 452.433 4.959 20 0 JJADRN C[C@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001458964410 1067211095 /nfs/dbraw/zinc/21/10/95/1067211095.db2.gz SDKLSEHMULOGBY-INIZCTEOSA-N 0 0 452.605 4.994 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(C)C)C1 ZINC001546105175 1067211470 /nfs/dbraw/zinc/21/14/70/1067211470.db2.gz XQZHWPMXZZGRCI-UHFFFAOYSA-N 0 0 461.676 4.648 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 ZINC001452167585 1067211495 /nfs/dbraw/zinc/21/14/95/1067211495.db2.gz ZPFLQEJKWCOMOZ-DLBZAZTESA-N 0 0 454.571 4.580 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 ZINC001452167593 1067211638 /nfs/dbraw/zinc/21/16/38/1067211638.db2.gz ZPFLQEJKWCOMOZ-SJORKVTESA-N 0 0 454.571 4.580 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCCCN(C(=O)OC(C)(C)C)C3CC3)cc2)no1 ZINC001452161884 1067211678 /nfs/dbraw/zinc/21/16/78/1067211678.db2.gz RDTUEQOOTVGJQH-UHFFFAOYSA-N 0 0 456.587 4.845 20 0 JJADRN CCCOc1c(Br)cc(C(=O)NCCNc2ccc3ccccc3n2)cc1OC ZINC001452166013 1067211698 /nfs/dbraw/zinc/21/16/98/1067211698.db2.gz ZNHORCMOQHTPGP-UHFFFAOYSA-N 0 0 458.356 4.637 20 0 JJADRN COc1cc(NC(=O)CCSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)c(OC)cc1Cl ZINC001458965848 1067211995 /nfs/dbraw/zinc/21/19/95/1067211995.db2.gz XVNOEFJCLPKMOW-UHFFFAOYSA-N 0 0 458.971 4.752 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001546036561 1067212157 /nfs/dbraw/zinc/21/21/57/1067212157.db2.gz AFCUQIQDAWOUCR-NRFANRHFSA-N 0 0 474.552 4.779 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1F ZINC001452174242 1067212226 /nfs/dbraw/zinc/21/22/26/1067212226.db2.gz FFRFETSOYDXSCE-GOSISDBHSA-N 0 0 456.436 4.562 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001452181550 1067212547 /nfs/dbraw/zinc/21/25/47/1067212547.db2.gz OYWWHWKNEYYPFV-IBGZPJMESA-N 0 0 450.388 4.765 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F ZINC001452200883 1067213677 /nfs/dbraw/zinc/21/36/77/1067213677.db2.gz XTOMFCOJQZENAK-SNVBAGLBSA-N 0 0 451.923 4.507 20 0 JJADRN O=C(N[C@@H](CCO)c1ccccc1F)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001452193645 1067213802 /nfs/dbraw/zinc/21/38/02/1067213802.db2.gz YIPMPBQVTWQBFW-SFHVURJKSA-N 0 0 455.839 4.596 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC001458975012 1067214146 /nfs/dbraw/zinc/21/41/46/1067214146.db2.gz IHNULNVUWMPDSG-MRXNPFEDSA-N 0 0 451.386 4.814 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001452222009 1067214175 /nfs/dbraw/zinc/21/41/75/1067214175.db2.gz GOADWXJRGCULDE-KGLIPLIRSA-N 0 0 454.493 4.621 20 0 JJADRN O=C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(CO)cc1 ZINC001452206268 1067214259 /nfs/dbraw/zinc/21/42/59/1067214259.db2.gz UTJPYHVYPCAJSZ-UHFFFAOYSA-N 0 0 458.558 4.504 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001546036786 1067214338 /nfs/dbraw/zinc/21/43/38/1067214338.db2.gz JBNLPVBNSGFOLO-IBGZPJMESA-N 0 0 471.646 4.504 20 0 JJADRN CCCn1nccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC001458974644 1067214215 /nfs/dbraw/zinc/21/42/15/1067214215.db2.gz AATBKBRQTIYUSY-UHFFFAOYSA-N 0 0 452.971 4.925 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001458973827 1067214243 /nfs/dbraw/zinc/21/42/43/1067214243.db2.gz CLIUQLMFQNFSNS-INIZCTEOSA-N 0 0 452.338 4.818 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)Nc3cnc(-c4cccc(C(F)(F)F)c4)cn3)CC2=O)c1C ZINC001458973988 1067214326 /nfs/dbraw/zinc/21/43/26/1067214326.db2.gz LKQQJVRHMRDEJD-QGZVFWFLSA-N 0 0 454.452 4.771 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC001458975985 1067214676 /nfs/dbraw/zinc/21/46/76/1067214676.db2.gz XMIINXDBRJJMIT-UHFFFAOYSA-N 0 0 455.356 4.617 20 0 JJADRN C[C@H](C[C@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001452225094 1067214704 /nfs/dbraw/zinc/21/47/04/1067214704.db2.gz HTSYNGWBDPNRAK-YYDVJCTNSA-N 0 0 450.583 4.802 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001452226532 1067214774 /nfs/dbraw/zinc/21/47/74/1067214774.db2.gz BNXZOLUYVZAIKX-CYFREDJKSA-N 0 0 453.627 4.616 20 0 JJADRN COC(=O)[C@@H](Sc1nnc(-c2ccccn2)n1Cc1ccco1)c1c(F)cccc1Cl ZINC001458976028 1067214886 /nfs/dbraw/zinc/21/48/86/1067214886.db2.gz FHGKKYYACJNZLK-SFHVURJKSA-N 0 0 458.902 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC001452239061 1067215590 /nfs/dbraw/zinc/21/55/90/1067215590.db2.gz AFSLDOFBIGSEJQ-UHFFFAOYSA-N 0 0 451.976 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(c4cccc(F)c4F)CC3)nc2C1 ZINC001452246209 1067215684 /nfs/dbraw/zinc/21/56/84/1067215684.db2.gz NKFYQIQIOWFSOI-UHFFFAOYSA-N 0 0 457.521 4.673 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CSc2nnc(-c3cc4ccccc4o3)o2)cc1OC ZINC001458978590 1067215730 /nfs/dbraw/zinc/21/57/30/1067215730.db2.gz FJYMMHPDEWAGDD-AWEZNQCLSA-N 0 0 453.520 4.860 20 0 JJADRN Cc1[nH]c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)OCc3ccccc3)cc2c1C ZINC001452264988 1067216861 /nfs/dbraw/zinc/21/68/61/1067216861.db2.gz GVKXTZPOQJLXIU-SANMLTNESA-N 0 0 456.542 4.843 20 0 JJADRN Cc1ccc(-n2ncc3c2ncn(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)c3=O)cc1 ZINC001458981303 1067217269 /nfs/dbraw/zinc/21/72/69/1067217269.db2.gz KWFHEICVZDPGNN-RUZDIDTESA-N 0 0 457.578 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NOCc3ccc(C(F)(F)F)cc3)cc2C1 ZINC001546037405 1067217894 /nfs/dbraw/zinc/21/78/94/1067217894.db2.gz CWLCZUUATPMIEQ-UHFFFAOYSA-N 0 0 450.457 4.860 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452272917 1067217908 /nfs/dbraw/zinc/21/79/08/1067217908.db2.gz QBOHYYIBPMINNS-MBDNFAEBSA-N 0 0 472.626 4.654 20 0 JJADRN CCOc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCc2nccn2C)cc1 ZINC001458983053 1067218108 /nfs/dbraw/zinc/21/81/08/1067218108.db2.gz VBNPLRWCFYVBSB-UHFFFAOYSA-N 0 0 455.971 4.924 20 0 JJADRN C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1cccc(OCc2ccccc2)c1 ZINC001458983135 1067218154 /nfs/dbraw/zinc/21/81/54/1067218154.db2.gz SQCJMBMLDWLXIZ-IBGZPJMESA-N 0 0 451.544 4.724 20 0 JJADRN NC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC001458982973 1067218203 /nfs/dbraw/zinc/21/82/03/1067218203.db2.gz BXQPPUXLVGFUKZ-GOSISDBHSA-N 0 0 458.971 4.977 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001452284644 1067218294 /nfs/dbraw/zinc/21/82/94/1067218294.db2.gz WPERHXVVGLCCGT-FCHUYYIVSA-N 0 0 472.626 4.608 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452288829 1067218858 /nfs/dbraw/zinc/21/88/58/1067218858.db2.gz KVOKTGNIEJMZPK-FQEVSTJZSA-N 0 0 456.558 4.572 20 0 JJADRN Cc1cc(C(=O)Oc2cc(F)cc(I)c2)nn1-c1ccc(Cl)cc1 ZINC001458984149 1067219208 /nfs/dbraw/zinc/21/92/08/1067219208.db2.gz VEZRAPFJMUHLHR-UHFFFAOYSA-N 0 0 456.642 4.797 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1cc(F)cc(I)c1 ZINC001458984977 1067219273 /nfs/dbraw/zinc/21/92/73/1067219273.db2.gz ZCVUXJJLUCOXDO-NSHDSACASA-N 0 0 453.255 4.674 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)n[nH]2)c1 ZINC001452320648 1067219427 /nfs/dbraw/zinc/21/94/27/1067219427.db2.gz OSVRLVOWCMTQBG-UHFFFAOYSA-N 0 0 452.584 4.950 20 0 JJADRN O=C(NOCc1ccc(C(F)(F)F)cc1)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 ZINC001546037787 1067219868 /nfs/dbraw/zinc/21/98/68/1067219868.db2.gz PUVKOOQQAVYEKX-UHFFFAOYSA-N 0 0 452.816 4.987 20 0 JJADRN CC(C)(C)OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)c1coc2ccc(Cl)cc12 ZINC001452330081 1067219879 /nfs/dbraw/zinc/21/98/79/1067219879.db2.gz QEXKVIXOESTYIN-IBGZPJMESA-N 0 0 457.910 4.660 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@H]1CC[C@H](O)CC1)c1cnc(-c2ccccc2Cl)s1 ZINC001452379187 1067220726 /nfs/dbraw/zinc/22/07/26/1067220726.db2.gz AEWJKGBWFZJGGY-SHTZXODSSA-N 0 0 455.967 4.749 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC[C@H](c4cccnc4)C3)cc2Br)on1 ZINC001452371622 1067220740 /nfs/dbraw/zinc/22/07/40/1067220740.db2.gz AZPJFNOZMUPEMU-SFHVURJKSA-N 0 0 456.340 4.739 20 0 JJADRN CC(C)(C)OC(=O)Cn1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 ZINC001452351301 1067220785 /nfs/dbraw/zinc/22/07/85/1067220785.db2.gz WDLOYRPUXFNXCG-UHFFFAOYSA-N 0 0 450.520 4.861 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC001458987751 1067221148 /nfs/dbraw/zinc/22/11/48/1067221148.db2.gz DTPVXZGYLUJSKT-UHFFFAOYSA-N 0 0 456.789 4.686 20 0 JJADRN O=C(COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ncco1)Nc1ccccc1F ZINC001452399197 1067221339 /nfs/dbraw/zinc/22/13/39/1067221339.db2.gz DDMGQVRIFUOQCJ-QFIPXVFZSA-N 0 0 459.477 4.545 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@H]1CC[C@H](O)CC1)c1cccc(-c2c(F)cccc2F)c1 ZINC001452393254 1067221385 /nfs/dbraw/zinc/22/13/85/1067221385.db2.gz TUYSFMGRAJJGGJ-WGSAOQKQSA-N 0 0 450.485 4.917 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC001458990027 1067221650 /nfs/dbraw/zinc/22/16/50/1067221650.db2.gz BQEJJQAPZGJPKD-UHFFFAOYSA-N 0 0 450.520 4.749 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001546038231 1067221907 /nfs/dbraw/zinc/22/19/07/1067221907.db2.gz GNQPUJGCAQYJQB-UHFFFAOYSA-N 0 0 462.585 4.888 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2cn3ccccc3n2)nnc1N(Cc1cccs1)C(C)C ZINC001546038361 1067221993 /nfs/dbraw/zinc/22/19/93/1067221993.db2.gz KJLDOJRPQXUAQC-UHFFFAOYSA-N 0 0 452.628 4.544 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC001452414123 1067222250 /nfs/dbraw/zinc/22/22/50/1067222250.db2.gz CDMJWXCIVVQZHS-LJQANCHMSA-N 0 0 457.459 4.529 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC001452414267 1067222367 /nfs/dbraw/zinc/22/23/67/1067222367.db2.gz OJHISKOBQPODPQ-UHFFFAOYSA-N 0 0 457.357 4.565 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc(C(F)(F)F)n3)cc2)cc1 ZINC001458991985 1067222536 /nfs/dbraw/zinc/22/25/36/1067222536.db2.gz ALZIJFPFIFKDNT-UHFFFAOYSA-N 0 0 459.424 4.769 20 0 JJADRN COC(=O)[C@@H](CC(C)C)Sc1nnc(COc2ccc(C)cc2)n1-c1ccc(OC)cc1 ZINC001458993682 1067222573 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MRXNOXFZMWCOCN-QGZVFWFLSA-N 0 0 453.486 4.537 20 0 JJADRN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nc2ccc(F)cc2c(=O)n1CC ZINC001458995195 1067223780 /nfs/dbraw/zinc/22/37/80/1067223780.db2.gz HIDMPGBZFKHECP-UHFFFAOYSA-N 0 0 451.523 4.881 20 0 JJADRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NCCc1ccccc1C ZINC001458997013 1067224363 /nfs/dbraw/zinc/22/43/63/1067224363.db2.gz NYKHLOHVXAFZQG-QGZVFWFLSA-N 0 0 459.015 4.678 20 0 JJADRN C[C@H](Sc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1)C(=O)Nc1ncccn1 ZINC001458997832 1067224750 /nfs/dbraw/zinc/22/47/50/1067224750.db2.gz IBYCIABIEUVMNW-ZDUSSCGKSA-N 0 0 454.918 4.636 20 0 JJADRN COc1ccccc1Nc1ncccc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452452678 1067224852 /nfs/dbraw/zinc/22/48/52/1067224852.db2.gz KBUVQQKWDDFVKV-UHFFFAOYSA-N 0 0 454.324 4.631 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCOc2cccc(Br)c2C1 ZINC001452455627 1067225268 /nfs/dbraw/zinc/22/52/68/1067225268.db2.gz UGPCCQHIEBTHQJ-UHFFFAOYSA-N 0 0 457.187 4.725 20 0 JJADRN CCc1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nnn1Cc1ccc(F)cc1 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ZINC001459013850 1067228637 /nfs/dbraw/zinc/22/86/37/1067228637.db2.gz MNTFYGJUHSHZJH-PBHICJAKSA-N 0 0 450.423 4.996 20 0 JJADRN C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497079 1067228741 /nfs/dbraw/zinc/22/87/41/1067228741.db2.gz LWGBAUNHRBMOAH-VBNZEHGJSA-N 0 0 477.399 4.825 20 0 JJADRN CCOC(=O)c1c(C[C@H](C)CC)c(C)sc1NC(=O)CSc1nc(C)c(C)c(=O)[nH]1 ZINC001459012454 1067228785 /nfs/dbraw/zinc/22/87/85/1067228785.db2.gz AWIUNWLCLHEUBL-LLVKDONJSA-N 0 0 451.614 4.665 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452500220 1067229573 /nfs/dbraw/zinc/22/95/73/1067229573.db2.gz RGBIMKYDWPKBCR-UHFFFAOYSA-N 0 0 451.592 4.842 20 0 JJADRN CCC(O)(CC)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001546039466 1067229616 /nfs/dbraw/zinc/22/96/16/1067229616.db2.gz AHNMODXFRMYMRL-UHFFFAOYSA-N 0 0 492.571 4.944 20 0 JJADRN COCCS(=O)(=O)c1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1 ZINC001459018802 1067230192 /nfs/dbraw/zinc/23/01/92/1067230192.db2.gz PQCXSONTUKVUDO-UHFFFAOYSA-N 0 0 456.589 4.522 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(c3cccnc3)=NO1)CC(C)(C)CC2 ZINC001459020086 1067230247 /nfs/dbraw/zinc/23/02/47/1067230247.db2.gz SWQRJTXQRWDQJU-KRWDZBQOSA-N 0 0 455.580 4.745 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2Nc2ccc(C)cc2)c1 ZINC001546105543 1067230268 /nfs/dbraw/zinc/23/02/68/1067230268.db2.gz MWTWGLCIWAMOLY-UHFFFAOYSA-N 0 0 453.564 4.727 20 0 JJADRN O=C(OCc1nc(C(F)(F)F)cs1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001459021243 1067230606 /nfs/dbraw/zinc/23/06/06/1067230606.db2.gz YSBZJOVAYZTZMC-UHFFFAOYSA-N 0 0 456.755 4.772 20 0 JJADRN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(Cl)cn1 ZINC001459021116 1067230751 /nfs/dbraw/zinc/23/07/51/1067230751.db2.gz YGRRQYMBQXQJAZ-CYBMUJFWSA-N 0 0 451.748 4.654 20 0 JJADRN O=C(NC[C@H]1CCC=CO1)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC001459024667 1067231397 /nfs/dbraw/zinc/23/13/97/1067231397.db2.gz MFGPXEMYBZPNEP-OAHLLOKOSA-N 0 0 459.390 4.821 20 0 JJADRN O=C(Cn1cnc(-c2ccccn2)n1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001459027717 1067232299 /nfs/dbraw/zinc/23/22/99/1067232299.db2.gz BMGTUZPCLYFJAE-UHFFFAOYSA-N 0 0 450.296 4.534 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001546040183 1067233125 /nfs/dbraw/zinc/23/31/25/1067233125.db2.gz YQSZETKQRFLFDD-OAQYLSRUSA-N 0 0 499.700 4.744 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccc(F)c(F)c1F ZINC001546105749 1067233827 /nfs/dbraw/zinc/23/38/27/1067233827.db2.gz VAKAGMQZCQHNIK-UHFFFAOYSA-N 0 0 456.829 4.516 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)C1(CO)CCCC1 ZINC001452561212 1067234110 /nfs/dbraw/zinc/23/41/10/1067234110.db2.gz ONKJLKXFGSSIED-QGZVFWFLSA-N 0 0 457.459 4.870 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)c1 ZINC001452561696 1067234118 /nfs/dbraw/zinc/23/41/18/1067234118.db2.gz OYIYEPAQTJJJRV-LJQANCHMSA-N 0 0 451.441 4.560 20 0 JJADRN CC(C)c1nc([C@@H](CO)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cs1 ZINC001452561022 1067234238 /nfs/dbraw/zinc/23/42/38/1067234238.db2.gz GZNFXVNRNFRQQN-GOSISDBHSA-N 0 0 452.605 4.703 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)C12CCC2 ZINC001452562130 1067234775 /nfs/dbraw/zinc/23/47/75/1067234775.db2.gz GRBMRTQAHMPMDY-UXHICEINSA-N 0 0 452.599 4.871 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1cc3ccccc3s1)C2=O ZINC001459033302 1067234774 /nfs/dbraw/zinc/23/47/74/1067234774.db2.gz LZIGTJVSMQLXNU-GSRCONFASA-N 0 0 455.624 4.996 20 0 JJADRN CCc1c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cnn1-c1ccc(Cl)cc1 ZINC001452574086 1067235335 /nfs/dbraw/zinc/23/53/35/1067235335.db2.gz YUWKGIPEOSBIHM-UXHICEINSA-N 0 0 458.990 4.654 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncon1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001452574461 1067235763 /nfs/dbraw/zinc/23/57/63/1067235763.db2.gz NGZZGDRCCDURCK-QGZVFWFLSA-N 0 0 458.465 4.850 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cc(CC)nc2onc(CC(C)(C)C)c21)c1ccccc1 ZINC001459036254 1067235854 /nfs/dbraw/zinc/23/58/54/1067235854.db2.gz PGFWFTRPLWHLOJ-SANMLTNESA-N 0 0 451.567 4.625 20 0 JJADRN CCCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(C)c1 ZINC001452603173 1067236146 /nfs/dbraw/zinc/23/61/46/1067236146.db2.gz KMCRUKXWPJEIMG-KDURUIRLSA-N 0 0 459.608 4.807 20 0 JJADRN CC(=O)N(c1nc(CN2C(=O)c3ccccc3C(F)(F)C2=O)cs1)c1ccc(C)c(C)c1 ZINC001459041158 1067237342 /nfs/dbraw/zinc/23/73/42/1067237342.db2.gz MZJJGKGDKUYEMD-UHFFFAOYSA-N 0 0 455.486 4.719 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(Br)c(CO)c1 ZINC001452624942 1067238250 /nfs/dbraw/zinc/23/82/50/1067238250.db2.gz MTHJNEFDIFGDTR-UHFFFAOYSA-N 0 0 452.146 4.606 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459046789 1067238347 /nfs/dbraw/zinc/23/83/47/1067238347.db2.gz BONIGQKQAZVHOI-HTAPYJJXSA-N 0 0 458.524 4.853 20 0 JJADRN O=C(Cc1ccc(I)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452639803 1067239320 /nfs/dbraw/zinc/23/93/20/1067239320.db2.gz UPGYEDNBTCMSML-UHFFFAOYSA-N 0 0 450.707 4.553 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452638669 1067239359 /nfs/dbraw/zinc/23/93/59/1067239359.db2.gz XXWVLSQDPMDCEJ-UHFFFAOYSA-N 0 0 450.794 4.599 20 0 JJADRN O=C(COc1c(Br)nccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC001459051359 1067239658 /nfs/dbraw/zinc/23/96/58/1067239658.db2.gz AHPOTJNVOZKGTG-UHFFFAOYSA-N 0 0 459.140 4.779 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ncnc2sc(C)cc21 ZINC001459052502 1067239691 /nfs/dbraw/zinc/23/96/91/1067239691.db2.gz PBAJRBMCCZKYQB-UHFFFAOYSA-N 0 0 457.499 4.775 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOCC2(CCC2)C1 ZINC001546041477 1067239808 /nfs/dbraw/zinc/23/98/08/1067239808.db2.gz DBNOEUHDHZMGMV-UHFFFAOYSA-N 0 0 470.658 4.847 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)CC1=O ZINC001459052912 1067240129 /nfs/dbraw/zinc/24/01/29/1067240129.db2.gz OAKGHULUYIZWAP-MRXNPFEDSA-N 0 0 453.974 4.666 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001546041627 1067240376 /nfs/dbraw/zinc/24/03/76/1067240376.db2.gz ISPIOJVNQJLCFU-HZPDHXFCSA-N 0 0 483.476 4.501 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC(CCc2ccc(F)cc2F)CC1)S(=O)(=O)C1CCCCC1 ZINC001452652823 1067240955 /nfs/dbraw/zinc/24/09/55/1067240955.db2.gz FPIRILLWZZYMGE-QHCPKHFHSA-N 0 0 455.611 4.908 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3ccc(C)c(I)c3)CC2)n1 ZINC001452651465 1067240967 /nfs/dbraw/zinc/24/09/67/1067240967.db2.gz FBNRSYXTEKGKGJ-UHFFFAOYSA-N 0 0 454.377 4.713 20 0 JJADRN CCc1csc(CC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)s3)C(C)C)CC2)n1 ZINC001452656428 1067241229 /nfs/dbraw/zinc/24/12/29/1067241229.db2.gz NDCXBSOEUQOWEY-LJQANCHMSA-N 0 0 454.061 4.656 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)(CC)C1)SC ZINC001546106130 1067241350 /nfs/dbraw/zinc/24/13/50/1067241350.db2.gz KFOGMVOILGPKDV-UHFFFAOYSA-N 0 0 468.675 4.859 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3cc(Br)c(OC)c(OC)c3)CC2)n1 ZINC001452658957 1067242036 /nfs/dbraw/zinc/24/20/36/1067242036.db2.gz RJNPSTCHMXBLBD-UHFFFAOYSA-N 0 0 453.402 4.580 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](OC3CCC3)C2)c1)c1ccc(Br)cc1 ZINC001452665623 1067242414 /nfs/dbraw/zinc/24/24/14/1067242414.db2.gz QRSJGZWUPIWFOO-OAQYLSRUSA-N 0 0 457.368 4.875 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](OC3CCC3)C2)c1)c1ccc(Br)cc1 ZINC001452665616 1067242422 /nfs/dbraw/zinc/24/24/22/1067242422.db2.gz QRSJGZWUPIWFOO-NRFANRHFSA-N 0 0 457.368 4.875 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)cc1C1CC1 ZINC001452677864 1067242845 /nfs/dbraw/zinc/24/28/45/1067242845.db2.gz ADRJHWURWHXNBA-LSWJPFSZSA-N 0 0 458.599 4.640 20 0 JJADRN O=C(CSC1CCC(C(F)(F)F)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001459068433 1067243357 /nfs/dbraw/zinc/24/33/57/1067243357.db2.gz AGYFAVRCINZHOS-UHFFFAOYSA-N 0 0 452.945 4.978 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001452687923 1067243820 /nfs/dbraw/zinc/24/38/20/1067243820.db2.gz VDFJUVPRUAEGKF-JDXROKEMSA-N 0 0 458.599 4.552 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)c2ccccc21 ZINC001459069622 1067243801 /nfs/dbraw/zinc/24/38/01/1067243801.db2.gz LKUKYBIFTJNOFQ-KRWDZBQOSA-N 0 0 455.605 4.792 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001452689381 1067243897 /nfs/dbraw/zinc/24/38/97/1067243897.db2.gz IHHKEOATIRGUCW-BJLQDIEVSA-N 0 0 450.362 4.872 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001452689279 1067243938 /nfs/dbraw/zinc/24/39/38/1067243938.db2.gz HFHORXNUMGWPEL-UGSOOPFHSA-N 0 0 454.350 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001452690803 1067244344 /nfs/dbraw/zinc/24/43/44/1067244344.db2.gz ZMOICSJYLUCWKF-AABGKKOBSA-N 0 0 452.542 4.865 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccccc1 ZINC001459070897 1067244268 /nfs/dbraw/zinc/24/42/68/1067244268.db2.gz DKGPJLDYHYAJOA-QHCPKHFHSA-N 0 0 458.396 4.898 20 0 JJADRN CN(C(=O)COc1ccc(Cl)cc1Br)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452691594 1067244589 /nfs/dbraw/zinc/24/45/89/1067244589.db2.gz AOTXDBFODGMTMD-GOSISDBHSA-N 0 0 452.711 4.592 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NC[C@](C)(C(=O)OC)c1ccccc1 ZINC001459071621 1067244751 /nfs/dbraw/zinc/24/47/51/1067244751.db2.gz FXRLCOJCCMKOCL-QHCPKHFHSA-N 0 0 450.501 4.802 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C)c(I)c1 ZINC001459072619 1067244884 /nfs/dbraw/zinc/24/48/84/1067244884.db2.gz KSQGLVQFAWZNSO-GFCCVEGCSA-N 0 0 459.711 4.919 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC001452693370 1067245056 /nfs/dbraw/zinc/24/50/56/1067245056.db2.gz WUTFCZHZYUZYON-LFRSYBKYSA-N 0 0 451.563 4.796 20 0 JJADRN CN(C)Cc1ccc(NC(=O)CCc2cccc(F)c2Br)cc1Br ZINC001459073762 1067245282 /nfs/dbraw/zinc/24/52/82/1067245282.db2.gz KBTMVSNKRBWHSL-UHFFFAOYSA-N 0 0 458.169 4.984 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001459074199 1067245310 /nfs/dbraw/zinc/24/53/10/1067245310.db2.gz ODBXBEVXNZQPDH-UHFFFAOYSA-N 0 0 455.223 4.620 20 0 JJADRN Cc1c(C(=O)N(C)[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452696530 1067245538 /nfs/dbraw/zinc/24/55/38/1067245538.db2.gz VMPROLRJKIQEJB-HXUWFJFHSA-N 0 0 457.431 4.923 20 0 JJADRN COc1cccc(OCC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 ZINC001459077301 1067246397 /nfs/dbraw/zinc/24/63/97/1067246397.db2.gz SMGMICGHHBMUES-UHFFFAOYSA-N 0 0 453.335 4.595 20 0 JJADRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452726152 1067246527 /nfs/dbraw/zinc/24/65/27/1067246527.db2.gz LFAXXLPRNQKXEG-QHCPKHFHSA-N 0 0 451.954 4.899 20 0 JJADRN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(Cl)c1 ZINC001459080430 1067247477 /nfs/dbraw/zinc/24/74/77/1067247477.db2.gz WRHSFIPOZPZDLG-MRXNPFEDSA-N 0 0 450.988 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCc3ccnc(Br)c3)o2)C1 ZINC001459078921 1067247482 /nfs/dbraw/zinc/24/74/82/1067247482.db2.gz UUXADDZLTIMQPJ-ZDUSSCGKSA-N 0 0 455.378 4.634 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001546105906 1067247749 /nfs/dbraw/zinc/24/77/49/1067247749.db2.gz BKIYFPBHMWRKBM-AREMUKBSSA-N 0 0 467.658 4.865 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN(C(=O)[C@@H](C)Sc3ccc(Br)cc3)CC2)n1 ZINC001452742042 1067248068 /nfs/dbraw/zinc/24/80/68/1067248068.db2.gz YTSXQVHOZJAWDQ-CQSZACIVSA-N 0 0 451.434 4.653 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001452746694 1067248126 /nfs/dbraw/zinc/24/81/26/1067248126.db2.gz RXVANGVAIKWWDN-IOMROCGXSA-N 0 0 458.599 4.710 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)c1 ZINC001459087829 1067248239 /nfs/dbraw/zinc/24/82/39/1067248239.db2.gz WIVSCKAFMPTGRW-UHFFFAOYSA-N 0 0 458.274 4.962 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1c(CC)csc1=O ZINC001459083606 1067248326 /nfs/dbraw/zinc/24/83/26/1067248326.db2.gz WKWOIWVJYSOBDF-UHFFFAOYSA-N 0 0 450.969 4.670 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1coc(C2CC2)n1 ZINC001459083665 1067248368 /nfs/dbraw/zinc/24/83/68/1067248368.db2.gz IMMRRRUJKIVZPY-UNMCSNQZSA-N 0 0 453.583 4.930 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cnc(Cl)cn1 ZINC001459086611 1067248764 /nfs/dbraw/zinc/24/87/64/1067248764.db2.gz PKRLMSGKHPLOHZ-AZUAARDMSA-N 0 0 458.990 4.508 20 0 JJADRN CCOC(=O)c1c(CSc2nnc3ccc(Br)cn32)occ1C(F)(F)F ZINC001459088558 1067248792 /nfs/dbraw/zinc/24/87/92/1067248792.db2.gz PVTWDUBQIFKQNE-UHFFFAOYSA-N 0 0 450.236 4.573 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2CC1 ZINC001546043582 1067248940 /nfs/dbraw/zinc/24/89/40/1067248940.db2.gz XEFOOGXKTIJUDS-QFIPXVFZSA-N 0 0 483.657 4.506 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC001546043578 1067249076 /nfs/dbraw/zinc/24/90/76/1067249076.db2.gz XCOZUJBELWWVDR-HBMCJLEFSA-N 0 0 493.693 4.543 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@]4(CC4(F)F)C3)c2)c1 ZINC001452759305 1067249104 /nfs/dbraw/zinc/24/91/04/1067249104.db2.gz AMPNCCMFSSISQF-FQEVSTJZSA-N 0 0 454.926 4.711 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)cnc1F ZINC001459089820 1067249223 /nfs/dbraw/zinc/24/92/23/1067249223.db2.gz UMFCQGPAZBHJDZ-IFMALSPDSA-N 0 0 455.574 4.907 20 0 JJADRN Cc1cc(C)c(NC(=O)CNC(=O)CSc2ccc(Br)c(Cl)c2)c(C)c1 ZINC001459091761 1067249264 /nfs/dbraw/zinc/24/92/64/1067249264.db2.gz ZEKMCYIQESZUKC-UHFFFAOYSA-N 0 0 455.805 4.875 20 0 JJADRN CC1(C)CN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c2cc(F)ccc21 ZINC001452765474 1067249595 /nfs/dbraw/zinc/24/95/95/1067249595.db2.gz DVLKXMOGBYLCJX-UHFFFAOYSA-N 0 0 457.354 4.511 20 0 JJADRN C[C@@H]1CCC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)CC1 ZINC001459099128 1067250132 /nfs/dbraw/zinc/25/01/32/1067250132.db2.gz JJCCENXWGVVVIS-NXEZZACHSA-N 0 0 454.121 4.891 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459099872 1067250200 /nfs/dbraw/zinc/25/02/00/1067250200.db2.gz QQZLKJZRJSPPIB-MRXNPFEDSA-N 0 0 456.386 4.678 20 0 JJADRN CN(C(=O)Cn1oc2cc(Br)ccc2c1=O)C(c1ccccc1)c1ccccc1 ZINC001459103082 1067251079 /nfs/dbraw/zinc/25/10/79/1067251079.db2.gz MLQBWZJPKNXSBB-UHFFFAOYSA-N 0 0 451.320 4.605 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@H](C)CO1 ZINC001452777573 1067251180 /nfs/dbraw/zinc/25/11/80/1067251180.db2.gz QPLNAMMTYYRLOF-CMJOXMDJSA-N 0 0 458.624 4.669 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@@H](C)CO1 ZINC001452777580 1067251300 /nfs/dbraw/zinc/25/13/00/1067251300.db2.gz QPLNAMMTYYRLOF-WNSKOXEYSA-N 0 0 458.624 4.669 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@H]3C)n2)c1 ZINC001452777955 1067251400 /nfs/dbraw/zinc/25/14/00/1067251400.db2.gz SGODDXOQDSVUSN-XUVXKRRUSA-N 0 0 450.608 4.647 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)c3cc4c(c(Br)c3)OCO4)nc2)c1 ZINC001452779817 1067251782 /nfs/dbraw/zinc/25/17/82/1067251782.db2.gz ZVJWSWXTEAMZSQ-UHFFFAOYSA-N 0 0 459.321 4.985 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452790945 1067252002 /nfs/dbraw/zinc/25/20/02/1067252002.db2.gz NJYLAGNHWBBUTM-RPWUZVMVSA-N 0 0 453.023 4.727 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC001452796570 1067252233 /nfs/dbraw/zinc/25/22/33/1067252233.db2.gz PCGGJKINVPJWCP-UHFFFAOYSA-N 0 0 452.636 4.965 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)nnn1-c1cccc(Cl)c1 ZINC001452792818 1067252393 /nfs/dbraw/zinc/25/23/93/1067252393.db2.gz YEGWUIRBKASZBO-QHCPKHFHSA-N 0 0 459.377 4.650 20 0 JJADRN COc1ccc(CN(C(=O)Cn2cnc3c2C[C@H](C)[C@@H](C)C3)[C@@H](C)Cc2cccs2)cc1 ZINC001459108305 1067252515 /nfs/dbraw/zinc/25/25/15/1067252515.db2.gz WUBGNETWUBMRQP-UFYCRDLUSA-N 0 0 451.636 4.984 20 0 JJADRN COc1ccc(CN(C(=O)Cn2cnc3c2C[C@H](C)[C@@H](C)C3)[C@H](C)Cc2cccs2)cc1 ZINC001459108301 1067252632 /nfs/dbraw/zinc/25/26/32/1067252632.db2.gz WUBGNETWUBMRQP-SLFFLAALSA-N 0 0 451.636 4.984 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)O1 ZINC001546044376 1067252855 /nfs/dbraw/zinc/25/28/55/1067252855.db2.gz AGEOHGSLCXKLJW-MZFHRINRSA-N 0 0 471.671 4.825 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)O1 ZINC001546044513 1067253257 /nfs/dbraw/zinc/25/32/57/1067253257.db2.gz CBXDELGJMAHUDK-XLGIIRLISA-N 0 0 466.630 4.716 20 0 JJADRN Cc1c(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cnn1-c1ccc(F)cc1 ZINC001452800079 1067253296 /nfs/dbraw/zinc/25/32/96/1067253296.db2.gz HFUXSXAGBUQLQQ-MRXNPFEDSA-N 0 0 453.518 4.685 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001459116188 1067253634 /nfs/dbraw/zinc/25/36/34/1067253634.db2.gz HUQKQHKCMVQHEO-UHFFFAOYSA-N 0 0 456.468 4.651 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001459117922 1067254640 /nfs/dbraw/zinc/25/46/40/1067254640.db2.gz DIEXLUNVDXYOIH-SFHVURJKSA-N 0 0 450.240 4.596 20 0 JJADRN COc1ccc(CCC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c(OC)c1OC ZINC001459122248 1067255644 /nfs/dbraw/zinc/25/56/44/1067255644.db2.gz VQUCWSBDFUXDKK-UHFFFAOYSA-N 0 0 451.907 4.595 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(CN2CCCC2=O)cc1 ZINC001459120871 1067255701 /nfs/dbraw/zinc/25/57/01/1067255701.db2.gz LEUWRLVQBNGYQS-JOCHJYFZSA-N 0 0 455.396 4.713 20 0 JJADRN CCC[C@@H](C)[C@H](CO)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001452824530 1067255680 /nfs/dbraw/zinc/25/56/80/1067255680.db2.gz WITFMAJCYSCLRH-YPMHNXCESA-N 0 0 453.839 4.706 20 0 JJADRN CCC[C@H](C)[C@H](CO)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001452824498 1067255706 /nfs/dbraw/zinc/25/57/06/1067255706.db2.gz WITFMAJCYSCLRH-AAEUAGOBSA-N 0 0 453.839 4.706 20 0 JJADRN C[C@H](O)[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1F ZINC001452820855 1067255719 /nfs/dbraw/zinc/25/57/19/1067255719.db2.gz SNAGNLWIDLDTCC-BTDLBPIBSA-N 0 0 455.374 4.554 20 0 JJADRN C[C@@H](O)[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1F ZINC001452820852 1067255731 /nfs/dbraw/zinc/25/57/31/1067255731.db2.gz SNAGNLWIDLDTCC-BMLIUANNSA-N 0 0 455.374 4.554 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)c1ccc(Cl)c(Cl)c1 ZINC001459123286 1067256045 /nfs/dbraw/zinc/25/60/45/1067256045.db2.gz MFOLLPWTKPZFQP-HXUWFJFHSA-N 0 0 454.693 4.571 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOC)C1 ZINC001546106488 1067256058 /nfs/dbraw/zinc/25/60/58/1067256058.db2.gz YNYLWDQFRLZXDA-UHFFFAOYSA-N 0 0 451.409 4.769 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC001459125661 1067256446 /nfs/dbraw/zinc/25/64/46/1067256446.db2.gz RJGBMUABMOLQPG-UHFFFAOYSA-N 0 0 459.125 4.680 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)c1cc(-c2cccc(F)c2)no1 ZINC001459126844 1067256941 /nfs/dbraw/zinc/25/69/41/1067256941.db2.gz QTUYLHQALCKGJB-UHFFFAOYSA-N 0 0 454.093 4.936 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001459127651 1067256971 /nfs/dbraw/zinc/25/69/71/1067256971.db2.gz AQSOFWXOQASFQD-IBGZPJMESA-N 0 0 457.539 4.602 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCCC[C@@H]3CC(=O)OC(C)(C)C)cc21 ZINC001452841103 1067257078 /nfs/dbraw/zinc/25/70/78/1067257078.db2.gz KAPNNWWZRGDJLO-CYBMUJFWSA-N 0 0 451.361 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2csc(-c3ccccc3)n2)C[C@H]1[C@H]1CCCO1 ZINC001452839984 1067257105 /nfs/dbraw/zinc/25/71/05/1067257105.db2.gz JMFBVKRXGCOTAQ-GBESFXJTSA-N 0 0 457.596 4.943 20 0 JJADRN CCc1cc(=O)n(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1 ZINC001459134479 1067257875 /nfs/dbraw/zinc/25/78/75/1067257875.db2.gz CSHBJPQOCCKPPO-MUUNZHRXSA-N 0 0 455.533 4.860 20 0 JJADRN COc1cc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)ccc1OCc1c(C)noc1C ZINC001459130773 1067258007 /nfs/dbraw/zinc/25/80/07/1067258007.db2.gz YCUHDLJSTRYUST-KLQCNHIUSA-N 0 0 452.482 4.845 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@H](c3ccccc3)[C@@H]2C)O1 ZINC001546045138 1067258577 /nfs/dbraw/zinc/25/85/77/1067258577.db2.gz LJZSESDOGNDNTQ-WETBKEKZSA-N 0 0 456.631 4.732 20 0 JJADRN CCO[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452877382 1067259244 /nfs/dbraw/zinc/25/92/44/1067259244.db2.gz MRNORTTXWQPGPQ-PXDATVDWSA-N 0 0 477.605 4.691 20 0 JJADRN CC[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cc(F)cc(Br)c1 ZINC001459140583 1067259188 /nfs/dbraw/zinc/25/91/88/1067259188.db2.gz LDWYEUAZIADMFR-KRWDZBQOSA-N 0 0 454.727 4.652 20 0 JJADRN CC[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1cc(F)cc(Br)c1 ZINC001459144839 1067260039 /nfs/dbraw/zinc/26/00/39/1067260039.db2.gz ABYIVPLMQHLKQN-OAHLLOKOSA-N 0 0 455.711 4.807 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cc1OC ZINC001459145373 1067260073 /nfs/dbraw/zinc/26/00/73/1067260073.db2.gz FSQARMJAVOOANO-UHFFFAOYSA-N 0 0 450.354 4.862 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001459143410 1067260154 /nfs/dbraw/zinc/26/01/54/1067260154.db2.gz GRGHKBCUHPSODZ-XMMPIXPASA-N 0 0 450.485 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNC(=O)c1cccc(C2OCCO2)c1 ZINC001452893419 1067260196 /nfs/dbraw/zinc/26/01/96/1067260196.db2.gz CSIOIDADGIKSHS-NRFANRHFSA-N 0 0 452.551 4.608 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N(C)[C@H](C)c3ccc(N4CCCS4(=O)=O)cc3)c2n1 ZINC001459145882 1067260619 /nfs/dbraw/zinc/26/06/19/1067260619.db2.gz DHTSQMKWIJOXFQ-MRXNPFEDSA-N 0 0 457.983 4.570 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC(c2ccccc2Br)CC1)N1Cc2ccccc2C1=O ZINC001459146500 1067261026 /nfs/dbraw/zinc/26/10/26/1067261026.db2.gz ISZGSUYCEJJNIW-JOCHJYFZSA-N 0 0 455.396 4.836 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4ccccc4Br)CC3)CC2=O)cc1C ZINC001459147669 1067261039 /nfs/dbraw/zinc/26/10/39/1067261039.db2.gz KBOSYCDBSVOQEK-IBGZPJMESA-N 0 0 455.396 4.825 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4ccccc4Br)CC3)CC2=O)cc1C ZINC001459147678 1067261045 /nfs/dbraw/zinc/26/10/45/1067261045.db2.gz KBOSYCDBSVOQEK-LJQANCHMSA-N 0 0 455.396 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001452896984 1067261155 /nfs/dbraw/zinc/26/11/55/1067261155.db2.gz MDPFXISITXPUGV-RTWAWAEBSA-N 0 0 458.986 4.679 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452897026 1067261170 /nfs/dbraw/zinc/26/11/70/1067261170.db2.gz MOYIXRVXUMFYJI-SFHVURJKSA-N 0 0 456.612 4.902 20 0 JJADRN O=C(N[C@@H](C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1)c1ccccc1)c1ccccc1 ZINC001452901007 1067261617 /nfs/dbraw/zinc/26/16/17/1067261617.db2.gz KOHXYWSGWOVVSK-FYYLOGMGSA-N 0 0 452.913 4.550 20 0 JJADRN O=C(N[C@@H](C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1)c1ccccc1)c1ccccc1 ZINC001452901051 1067261701 /nfs/dbraw/zinc/26/17/01/1067261701.db2.gz KOHXYWSGWOVVSK-JTHBVZDNSA-N 0 0 452.913 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001459151932 1067261913 /nfs/dbraw/zinc/26/19/13/1067261913.db2.gz KRYIEROWDQSGTL-YFNKSVMNSA-N 0 0 450.579 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC001452903614 1067261942 /nfs/dbraw/zinc/26/19/42/1067261942.db2.gz WFIMSPBENTWPNI-VJBWXMMDSA-N 0 0 450.579 4.679 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1C ZINC001452901954 1067262076 /nfs/dbraw/zinc/26/20/76/1067262076.db2.gz HILVQZAXIULMEM-NLPWIYRPSA-N 0 0 456.627 4.718 20 0 JJADRN CC[C@](O)(CC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 ZINC001452903655 1067262104 /nfs/dbraw/zinc/26/21/04/1067262104.db2.gz WKIVYEYIOANCEQ-AMGIVPHBSA-N 0 0 452.595 4.937 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1nn(C)c2ccccc12 ZINC001459152876 1067262477 /nfs/dbraw/zinc/26/24/77/1067262477.db2.gz XTSJSCVLHCFHST-HNNXBMFYSA-N 0 0 454.983 4.862 20 0 JJADRN CCc1ccc2occ(C(=O)N3CCC[C@H]([C@@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)c2c1 ZINC001452903951 1067262581 /nfs/dbraw/zinc/26/25/81/1067262581.db2.gz KYHPVZWARRAAPU-YDHSSHFGSA-N 0 0 456.583 4.920 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CNC(=O)c4ccccc43)c2C(=O)OC(C)(C)C)C1 ZINC001459152783 1067262583 /nfs/dbraw/zinc/26/25/83/1067262583.db2.gz CCCZOKWICPKCOC-KDOFPFPSSA-N 0 0 454.592 4.684 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)c2cc(Cl)n(C)n2)CCC3)cc1Cl ZINC001459153276 1067262639 /nfs/dbraw/zinc/26/26/39/1067262639.db2.gz ZPJMGYKPXANWIB-UHFFFAOYSA-N 0 0 450.347 4.769 20 0 JJADRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001459152510 1067262670 /nfs/dbraw/zinc/26/26/70/1067262670.db2.gz ZKMLBSSBAPVMST-JMUQELJHSA-N 0 0 450.570 4.728 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC001452904578 1067262664 /nfs/dbraw/zinc/26/26/64/1067262664.db2.gz PWDGTLDHXSYDLD-QGZVFWFLSA-N 0 0 456.739 4.999 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H]([C@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)cc21 ZINC001452906686 1067263139 /nfs/dbraw/zinc/26/31/39/1067263139.db2.gz RJUMJUJZLIQKJC-CSODHUTKSA-N 0 0 459.562 4.540 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2=O)ccc1Br ZINC001459157445 1067263007 /nfs/dbraw/zinc/26/30/07/1067263007.db2.gz ICIAEFAHPUNYBY-VAMGGRTRSA-N 0 0 455.396 4.638 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H]([C@@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)cc21 ZINC001452906689 1067263171 /nfs/dbraw/zinc/26/31/71/1067263171.db2.gz RJUMJUJZLIQKJC-FIKGOQFSSA-N 0 0 459.562 4.540 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452908444 1067263453 /nfs/dbraw/zinc/26/34/53/1067263453.db2.gz YJTHXVAUUFVNFZ-KRWDZBQOSA-N 0 0 450.297 4.715 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)C1 ZINC001452908500 1067263518 /nfs/dbraw/zinc/26/35/18/1067263518.db2.gz YCPNHGCTFCESGT-ZJUUUORDSA-N 0 0 454.258 4.847 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCOCC2(CCCC2)C1 ZINC001459158446 1067263534 /nfs/dbraw/zinc/26/35/34/1067263534.db2.gz IRHSYBATRMOIBT-UHFFFAOYSA-N 0 0 454.135 4.631 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](OC)C(C)(C)C2)O1 ZINC001546046030 1067264170 /nfs/dbraw/zinc/26/41/70/1067264170.db2.gz VZSJDVZYFVTEAP-OALHLCOBSA-N 0 0 460.594 4.766 20 0 JJADRN CC(C)C(CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC001459162815 1067263971 /nfs/dbraw/zinc/26/39/71/1067263971.db2.gz OMRYGMCYSVHKPL-UHFFFAOYSA-N 0 0 451.032 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001459162333 1067264203 /nfs/dbraw/zinc/26/42/03/1067264203.db2.gz LOKYSHRPIYKAJH-PQNGQFLHSA-N 0 0 450.579 4.885 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2C(=O)OC(C)(C)C)C1 ZINC001459163570 1067264650 /nfs/dbraw/zinc/26/46/50/1067264650.db2.gz MYEDBECEPNRGMY-KSSFIOAISA-N 0 0 455.576 4.939 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001452923212 1067264725 /nfs/dbraw/zinc/26/47/25/1067264725.db2.gz VKTWDACYTLSTBC-DYLHXGEVSA-N 0 0 479.662 4.567 20 0 JJADRN C[C@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cnn(-c4ccccc4)n3)sc2[C@H](C)O1 ZINC001459166925 1067265056 /nfs/dbraw/zinc/26/50/56/1067265056.db2.gz SWNAUAIFOSUERJ-KBPBESRZSA-N 0 0 454.552 4.559 20 0 JJADRN CC(=O)c1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@H]3C)c1 ZINC001459165414 1067265083 /nfs/dbraw/zinc/26/50/83/1067265083.db2.gz QOKVDXCZDGCXLK-ZFWWWQNUSA-N 0 0 459.564 4.946 20 0 JJADRN CC(=O)c1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]3C)c1 ZINC001459165406 1067265155 /nfs/dbraw/zinc/26/51/55/1067265155.db2.gz QOKVDXCZDGCXLK-UKRRQHHQSA-N 0 0 459.564 4.946 20 0 JJADRN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCC[C@@H]1Cc1ccccc1F ZINC001452944154 1067265966 /nfs/dbraw/zinc/26/59/66/1067265966.db2.gz PIYLYLAZFGTXGI-JOCHJYFZSA-N 0 0 452.551 4.864 20 0 JJADRN C[C@@H](CO)C1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001452940662 1067266015 /nfs/dbraw/zinc/26/60/15/1067266015.db2.gz ILYRJCAUYJUOBF-LIRRHRJNSA-N 0 0 459.414 4.768 20 0 JJADRN 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/nfs/dbraw/zinc/27/88/30/1067278830.db2.gz AZQKYSSRDUZMQZ-HKUYNNGSSA-N 0 0 457.571 4.640 20 0 JJADRN CC[C@H](C)CC[C@@H](O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001453116782 1067279653 /nfs/dbraw/zinc/27/96/53/1067279653.db2.gz CUZVRKIBFROVDC-UFGBVDADSA-N 0 0 480.621 4.621 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001453115095 1067279664 /nfs/dbraw/zinc/27/96/64/1067279664.db2.gz PTJDINNNFPOPIW-WOJBJXKFSA-N 0 0 475.630 4.589 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3ccc(I)cc3)c2o1 ZINC001459266182 1067279929 /nfs/dbraw/zinc/27/99/29/1067279929.db2.gz QEEKVAOAIOFZFG-UHFFFAOYSA-N 0 0 457.065 4.756 20 0 JJADRN CC(C)n1c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)ccc2[nH]c1=O ZINC001453119268 1067280225 /nfs/dbraw/zinc/28/02/25/1067280225.db2.gz XAHUEYSZGSKQEF-IFMALSPDSA-N 0 0 478.593 4.846 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(Cl)cc2O)cc1 ZINC001453119706 1067280353 /nfs/dbraw/zinc/28/03/53/1067280353.db2.gz QYPSKCDVBDRNIS-FPOVZHCZSA-N 0 0 474.985 4.967 20 0 JJADRN COc1ccc(CN(C(=O)c2csc(I)c2)C(C)(C)C)c(OC)c1 ZINC001459268659 1067280392 /nfs/dbraw/zinc/28/03/92/1067280392.db2.gz MHVSCUMSTOBJQX-UHFFFAOYSA-N 0 0 459.349 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001453119330 1067280407 /nfs/dbraw/zinc/28/04/07/1067280407.db2.gz LBMCJOHFCRYPAK-QZTJIDSGSA-N 0 0 472.948 4.650 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC001459275809 1067280908 /nfs/dbraw/zinc/28/09/08/1067280908.db2.gz MBXGXRGNSSQRKN-HRAATJIYSA-N 0 0 459.464 4.917 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C(C)(C)C)c(OC)c1 ZINC001459275084 1067280976 /nfs/dbraw/zinc/28/09/76/1067280976.db2.gz ZDQXBNZACGKRPK-UHFFFAOYSA-N 0 0 458.452 4.819 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC001459278010 1067281308 /nfs/dbraw/zinc/28/13/08/1067281308.db2.gz HGEQPKGLHBWSBA-HZPDHXFCSA-N 0 0 450.992 4.804 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(OC)cc(OC)c2)O1 ZINC001546047874 1067281986 /nfs/dbraw/zinc/28/19/86/1067281986.db2.gz FNMDWAXYRUXSCQ-UQBPGWFLSA-N 0 0 486.016 4.995 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001459283119 1067282398 /nfs/dbraw/zinc/28/23/98/1067282398.db2.gz XHHUKPYLFLFBEU-UHFFFAOYSA-N 0 0 458.864 4.604 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)[C@@H](F)C2)O1 ZINC001546047888 1067282509 /nfs/dbraw/zinc/28/25/09/1067282509.db2.gz FQCBUDKWDTXGAI-PXWIGAEESA-N 0 0 457.413 4.911 20 0 JJADRN O=C(NCC1(CCOCc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001459286564 1067282957 /nfs/dbraw/zinc/28/29/57/1067282957.db2.gz KVEZEBPPDDFJLF-JOCHJYFZSA-N 0 0 454.998 4.696 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3N1C(=O)OC(C)(C)C)sc(=O)n2C ZINC001453144285 1067283020 /nfs/dbraw/zinc/28/30/20/1067283020.db2.gz MYVDAUFKZMDNQG-SZMVWBNQSA-N 0 0 459.612 4.805 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)OC(C)C ZINC001459288466 1067283553 /nfs/dbraw/zinc/28/35/53/1067283553.db2.gz OYRAEMMCHDWGKZ-QHCPKHFHSA-N 0 0 455.505 4.544 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3C)n2)cc1 ZINC001459288116 1067283589 /nfs/dbraw/zinc/28/35/89/1067283589.db2.gz OEDVCAOLSPHJEK-UHFFFAOYSA-N 0 0 455.440 4.705 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001459292778 1067283922 /nfs/dbraw/zinc/28/39/22/1067283922.db2.gz DNYWBDIGBQLGQX-UHFFFAOYSA-N 0 0 451.364 4.950 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001459292406 1067283939 /nfs/dbraw/zinc/28/39/39/1067283939.db2.gz ANBVAAGNBGDEHO-NRFANRHFSA-N 0 0 457.409 4.651 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001546107819 1067283950 /nfs/dbraw/zinc/28/39/50/1067283950.db2.gz ZSZAMCAPLXGPTC-QGZVFWFLSA-N 0 0 478.519 4.578 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)O1 ZINC001546047984 1067284222 /nfs/dbraw/zinc/28/42/22/1067284222.db2.gz GUAOIIFOBATENH-WZONZLPQSA-N 0 0 477.447 4.918 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001453152880 1067284286 /nfs/dbraw/zinc/28/42/86/1067284286.db2.gz ZVOUAJMMOFNXDA-QFIPXVFZSA-N 0 0 451.567 4.639 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001453152871 1067284325 /nfs/dbraw/zinc/28/43/25/1067284325.db2.gz ZVOUAJMMOFNXDA-JOCHJYFZSA-N 0 0 451.567 4.639 20 0 JJADRN CCn1ncc(Br)c1C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001459294654 1067284299 /nfs/dbraw/zinc/28/42/99/1067284299.db2.gz HAAIOVSBVWZZAR-UHFFFAOYSA-N 0 0 455.194 4.756 20 0 JJADRN Cc1cccc(-n2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(Br)cc3)nn2)c1 ZINC001459295047 1067284330 /nfs/dbraw/zinc/28/43/30/1067284330.db2.gz IGARLBKLKYGBQW-MRXNPFEDSA-N 0 0 453.262 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)c2C1 ZINC001453159853 1067284892 /nfs/dbraw/zinc/28/48/92/1067284892.db2.gz AQERMSXONZOGGJ-JOCHJYFZSA-N 0 0 453.608 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3cc(F)cc(Br)c3N)c2C1 ZINC001453164422 1067284920 /nfs/dbraw/zinc/28/49/20/1067284920.db2.gz IKNYZFWSAKAMFI-UHFFFAOYSA-N 0 0 450.308 4.673 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)O1 ZINC001546048023 1067284942 /nfs/dbraw/zinc/28/49/42/1067284942.db2.gz HBFFXNBILQBYMG-WNCULLNHSA-N 0 0 499.656 4.606 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)CCCOc1ccccc1Br ZINC001459295992 1067285031 /nfs/dbraw/zinc/28/50/31/1067285031.db2.gz UKSXGALMRLVABD-UHFFFAOYSA-N 0 0 457.162 4.696 20 0 JJADRN COC(=O)c1cc(C(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC001459297740 1067285526 /nfs/dbraw/zinc/28/55/26/1067285526.db2.gz HDQDWQQMNAIKSL-UHFFFAOYSA-N 0 0 454.351 4.670 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)C2 ZINC001459298535 1067285787 /nfs/dbraw/zinc/28/57/87/1067285787.db2.gz SGMSYAUYRHMLGT-WMLDXEAASA-N 0 0 458.274 4.819 20 0 JJADRN COCCOc1cccc(CC(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001459299176 1067285806 /nfs/dbraw/zinc/28/58/06/1067285806.db2.gz VEVAZLOGJOAREP-HSZRJFAPSA-N 0 0 454.567 4.795 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)nn1 ZINC001459298559 1067285960 /nfs/dbraw/zinc/28/59/60/1067285960.db2.gz SIIIRKTZRYNXLC-OAHLLOKOSA-N 0 0 453.262 4.762 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1 ZINC001453176761 1067286520 /nfs/dbraw/zinc/28/65/20/1067286520.db2.gz OSTURLRYUIOBIN-UYAOXDASSA-N 0 0 458.002 4.591 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@H]1c1ccc(F)cc1 ZINC001459299707 1067286488 /nfs/dbraw/zinc/28/64/88/1067286488.db2.gz YBWNWKFIIKIRID-WPFOTENUSA-N 0 0 481.568 4.886 20 0 JJADRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC001459299761 1067286971 /nfs/dbraw/zinc/28/69/71/1067286971.db2.gz ZDQRIJQDYKPAPX-UHFFFAOYSA-N 0 0 458.484 4.974 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)nnn1Cc1ccc(F)cc1 ZINC001459303325 1067287709 /nfs/dbraw/zinc/28/77/09/1067287709.db2.gz LXAILLHMWKBAON-LJQANCHMSA-N 0 0 458.921 4.628 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cccn(Cc2ccccc2)c1=O ZINC001459304812 1067288274 /nfs/dbraw/zinc/28/82/74/1067288274.db2.gz UNGYYVGUDRTCQX-HXUWFJFHSA-N 0 0 452.938 4.750 20 0 JJADRN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1 ZINC001459304197 1067288292 /nfs/dbraw/zinc/28/82/92/1067288292.db2.gz IRVSEDJXWKKJFM-QGZVFWFLSA-N 0 0 459.493 4.618 20 0 JJADRN CN1c2ccccc2C[C@H](NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O ZINC001453207862 1067288759 /nfs/dbraw/zinc/28/87/59/1067288759.db2.gz CEYAPNSESMZFDV-XUZZJYLKSA-N 0 0 450.991 4.867 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1=O ZINC001459305701 1067288751 /nfs/dbraw/zinc/28/87/51/1067288751.db2.gz ZBTOWSYLGFWZQV-UYAOXDASSA-N 0 0 456.970 4.842 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546048532 1067289333 /nfs/dbraw/zinc/28/93/33/1067289333.db2.gz NLHWCXYXFGMFRU-ROMRWMGNSA-N 0 0 463.022 4.818 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)NCCOc3cccc(Cl)c3)CC2)cc1 ZINC001459307081 1067289324 /nfs/dbraw/zinc/28/93/24/1067289324.db2.gz ANXHRDQNPBGKQO-UHFFFAOYSA-N 0 0 457.014 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001453215135 1067289656 /nfs/dbraw/zinc/28/96/56/1067289656.db2.gz PXGVCZYHYJLIPX-CYBMUJFWSA-N 0 0 455.367 4.707 20 0 JJADRN CCCCN(C)C(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)CC1 ZINC001459310349 1067290303 /nfs/dbraw/zinc/29/03/03/1067290303.db2.gz HTLLCQOPXXQZPF-UHFFFAOYSA-N 0 0 456.656 4.672 20 0 JJADRN CC(C)(C)SCCCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459310649 1067290344 /nfs/dbraw/zinc/29/03/44/1067290344.db2.gz MMCXHLPKFRVPHK-UHFFFAOYSA-N 0 0 458.999 4.587 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN([C@H](C(N)=O)c3ccc(Br)cc3)CC2)cc1 ZINC001459311171 1067290570 /nfs/dbraw/zinc/29/05/70/1067290570.db2.gz NHRXRXOPLLLSHS-QFIPXVFZSA-N 0 0 457.412 4.769 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459310647 1067290594 /nfs/dbraw/zinc/29/05/94/1067290594.db2.gz MLYBWSMUVSZMPJ-ZDUSSCGKSA-N 0 0 450.885 4.565 20 0 JJADRN CN(C)C(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CCCC[C@H]3c3cccc(Cl)c3)CC2)nc1 ZINC001453236530 1067290930 /nfs/dbraw/zinc/29/09/30/1067290930.db2.gz HXAWIROXYJAQTF-XZOQPEGZSA-N 0 0 470.013 4.781 20 0 JJADRN O=C(CN1CCC(CC(=O)N2CCCC2)CC1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001459311373 1067290978 /nfs/dbraw/zinc/29/09/78/1067290978.db2.gz OJEJUZAYJLOSQA-UHFFFAOYSA-N 0 0 455.986 4.795 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001459312885 1067291179 /nfs/dbraw/zinc/29/11/79/1067291179.db2.gz SNTURWGMTVWMRG-UHFFFAOYSA-N 0 0 458.505 4.740 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546048951 1067291344 /nfs/dbraw/zinc/29/13/44/1067291344.db2.gz RVRAZGVAQLSDON-KPDCDPCYSA-N 0 0 477.447 4.918 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1cccc(C)c1C ZINC001459315061 1067291727 /nfs/dbraw/zinc/29/17/27/1067291727.db2.gz DGXBXPGRPDZIPX-QGZVFWFLSA-N 0 0 456.283 4.702 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2scnc2C)O1 ZINC001546048988 1067291968 /nfs/dbraw/zinc/29/19/68/1067291968.db2.gz SJBJPURGCVLBJE-MGPUTAFESA-N 0 0 479.448 4.785 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cc(Cl)ccn2)O1 ZINC001546048960 1067292029 /nfs/dbraw/zinc/29/20/29/1067292029.db2.gz RYAMPESWJKQBLY-ZJSXRUAMSA-N 0 0 455.990 4.986 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cc(Cl)ccn2)O1 ZINC001546048957 1067292063 /nfs/dbraw/zinc/29/20/63/1067292063.db2.gz RYAMPESWJKQBLY-QPPBQGQZSA-N 0 0 455.990 4.986 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)c3ccccc3CSc3nc[nH]n3)CC2)n1 ZINC001453262896 1067292091 /nfs/dbraw/zinc/29/20/91/1067292091.db2.gz KHHKGDQAECPPAU-UHFFFAOYSA-N 0 0 455.653 4.946 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546049013 1067292452 /nfs/dbraw/zinc/29/24/52/1067292452.db2.gz SSTCFDBCFYYDAE-NBGIEHNGSA-N 0 0 454.571 4.848 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(C)c1C ZINC001459317183 1067292689 /nfs/dbraw/zinc/29/26/89/1067292689.db2.gz LGBLIIHPIFRAQB-JOCHJYFZSA-N 0 0 451.592 4.550 20 0 JJADRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)ccc1Br ZINC001459317542 1067292816 /nfs/dbraw/zinc/29/28/16/1067292816.db2.gz XAZBCUFLXVGQLJ-CQSZACIVSA-N 0 0 454.748 4.844 20 0 JJADRN COc1cc(C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)cc(NC(C)=O)c1OC ZINC001453277080 1067292873 /nfs/dbraw/zinc/29/28/73/1067292873.db2.gz BKMPLCWJXGXHAK-UHFFFAOYSA-N 0 0 459.612 4.511 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC001453269327 1067293206 /nfs/dbraw/zinc/29/32/06/1067293206.db2.gz PKFKXFUQFCOANT-QGZVFWFLSA-N 0 0 454.493 4.576 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc(Br)cnc2C2CC2)Cc2ccccc21 ZINC001453281518 1067293473 /nfs/dbraw/zinc/29/34/73/1067293473.db2.gz ANPXCNBGNTWAKM-IBGZPJMESA-N 0 0 457.368 4.803 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453285467 1067293910 /nfs/dbraw/zinc/29/39/10/1067293910.db2.gz HTTNSDZWLABSGE-AZUAARDMSA-N 0 0 460.521 4.991 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC001459320605 1067294157 /nfs/dbraw/zinc/29/41/57/1067294157.db2.gz DZXUNXXXWHHBLJ-RKQHTQASSA-N 0 0 450.627 4.983 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC001453288932 1067294381 /nfs/dbraw/zinc/29/43/81/1067294381.db2.gz NLQVMHQXQPWVET-HXUWFJFHSA-N 0 0 454.542 4.892 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001453294026 1067294935 /nfs/dbraw/zinc/29/49/35/1067294935.db2.gz XHXXJWPDVQPDBG-YFVAEKQCSA-N 0 0 458.599 4.538 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001453294152 1067294976 /nfs/dbraw/zinc/29/49/76/1067294976.db2.gz YCUYNFGUNWCUGM-VQTJNVASSA-N 0 0 450.362 4.885 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)O1 ZINC001546049257 1067295259 /nfs/dbraw/zinc/29/52/59/1067295259.db2.gz XQPWDXFXSBHYRP-VGOFRKELSA-N 0 0 453.414 4.808 20 0 JJADRN Cc1cc(NC(=O)CCCNC(=O)c2cccnc2)ccc1-c1ccc(Br)cc1 ZINC001459325908 1067295391 /nfs/dbraw/zinc/29/53/91/1067295391.db2.gz GKVMQBAVIABADT-UHFFFAOYSA-N 0 0 452.352 4.968 20 0 JJADRN CN(CCCNC(=O)OC(C)(C)C)C(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001453301575 1067295383 /nfs/dbraw/zinc/29/53/83/1067295383.db2.gz GCLGYHXRZQQRTI-UHFFFAOYSA-N 0 0 457.518 4.740 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001459325841 1067295431 /nfs/dbraw/zinc/29/54/31/1067295431.db2.gz GKRLZCOJHGOSTQ-SANMLTNESA-N 0 0 451.567 4.592 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1Cc2ccccc2C1=O ZINC001459327889 1067295849 /nfs/dbraw/zinc/29/58/49/1067295849.db2.gz DZYWBMFJANJBPX-LEWJYISDSA-N 0 0 459.359 4.836 20 0 JJADRN O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC001459327112 1067296030 /nfs/dbraw/zinc/29/60/30/1067296030.db2.gz BHMXCIZOSCFJDU-BHQIHCQQSA-N 0 0 456.823 4.622 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](OC)C2)O1 ZINC001546049432 1067296758 /nfs/dbraw/zinc/29/67/58/1067296758.db2.gz ZNNITYIUXSGUPU-PNLZDCPESA-N 0 0 481.410 4.810 20 0 JJADRN C[C@@H](CC(=O)c1cccs1)NC(=O)CCCCc1ccc(I)cc1 ZINC001546049598 1067296767 /nfs/dbraw/zinc/29/67/67/1067296767.db2.gz CGEJRHCELQCAIN-AWEZNQCLSA-N 0 0 455.361 4.843 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)CCCCc3ccc(Br)cc3)ccc21 ZINC001459333289 1067296836 /nfs/dbraw/zinc/29/68/36/1067296836.db2.gz SOMCFHMMIXWYRG-UHFFFAOYSA-N 0 0 459.384 4.726 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC001459331357 1067296863 /nfs/dbraw/zinc/29/68/63/1067296863.db2.gz LTHNXBRSNQMYRK-JXFKEZNVSA-N 0 0 454.514 4.705 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)CC2)cc1 ZINC001459335965 1067297363 /nfs/dbraw/zinc/29/73/63/1067297363.db2.gz YFQSOCFRRACRCN-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)nc21 ZINC001453326593 1067297681 /nfs/dbraw/zinc/29/76/81/1067297681.db2.gz PQLZZGFICQANIW-GLXKHTEVSA-N 0 0 482.400 4.699 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)c3cccc(Nc4cnccn4)c3)nc21 ZINC001453326849 1067297712 /nfs/dbraw/zinc/29/77/12/1067297712.db2.gz SIYFHKWXTSSUHN-UHFFFAOYSA-N 0 0 456.325 4.853 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459338166 1067297902 /nfs/dbraw/zinc/29/79/02/1067297902.db2.gz RUSHSQADYAFQCR-FQEVSTJZSA-N 0 0 452.320 4.503 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC001459337915 1067297956 /nfs/dbraw/zinc/29/79/56/1067297956.db2.gz PHOQYODYSQYOFU-LJQANCHMSA-N 0 0 455.368 4.945 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N(C)Cc1csc(Br)c1 ZINC001459345772 1067298878 /nfs/dbraw/zinc/29/88/78/1067298878.db2.gz CRNYHUWSJGYUSX-NSHDSACASA-N 0 0 459.431 4.770 20 0 JJADRN Cc1ccc(N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1Br ZINC001459342921 1067298911 /nfs/dbraw/zinc/29/89/11/1067298911.db2.gz ZNOHZVLXJKTMLA-UHFFFAOYSA-N 0 0 455.805 4.988 20 0 JJADRN Cc1cc(C)cc(N(C)Cc2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2CCC(C)C)c1 ZINC001459342757 1067298961 /nfs/dbraw/zinc/29/89/61/1067298961.db2.gz KCGJKIHUWDUYEV-UHFFFAOYSA-N 0 0 459.594 4.646 20 0 JJADRN O=S(=O)(c1ccccc1)N1CCCN([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC001459348722 1067299319 /nfs/dbraw/zinc/29/93/19/1067299319.db2.gz ISTGONZWRFUMSI-DEOSSOPVSA-N 0 0 458.986 4.965 20 0 JJADRN CCOC(=O)c1c(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)occ1C(F)(F)F ZINC001459348469 1067300080 /nfs/dbraw/zinc/30/00/80/1067300080.db2.gz JVRBCNLOCIZUMK-YOEHRIQHSA-N 0 0 452.256 4.872 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001459348515 1067300150 /nfs/dbraw/zinc/30/01/50/1067300150.db2.gz SXZDDAWVINMPRY-YTFSRNRJSA-N 0 0 466.375 4.996 20 0 JJADRN C[C@@H](CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccccn1 ZINC001453355436 1067300356 /nfs/dbraw/zinc/30/03/56/1067300356.db2.gz HXFCUQQYTDOPRC-JTQLQIEISA-N 0 0 459.806 4.806 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1 ZINC001453358827 1067300452 /nfs/dbraw/zinc/30/04/52/1067300452.db2.gz PUTWDUANSWFTRQ-AEFFLSMTSA-N 0 0 459.222 4.852 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1Cl ZINC001459351198 1067301300 /nfs/dbraw/zinc/30/13/00/1067301300.db2.gz CWOZVIPNSOTNNZ-HOTGVXAUSA-N 0 0 459.926 4.514 20 0 JJADRN COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001459353939 1067301631 /nfs/dbraw/zinc/30/16/31/1067301631.db2.gz WQTDGCXQKPRKCU-ZWKOTPCHSA-N 0 0 458.274 4.756 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN(C)Cc1c(C)nn(-c3ccccc3C)c1C)n2CC ZINC001459354210 1067301644 /nfs/dbraw/zinc/30/16/44/1067301644.db2.gz LCGQBBNHTUBKGA-UHFFFAOYSA-N 0 0 459.594 4.976 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1Cl ZINC001459354351 1067301748 /nfs/dbraw/zinc/30/17/48/1067301748.db2.gz SUPWUFLVAQSAEW-UHFFFAOYSA-N 0 0 456.878 4.942 20 0 JJADRN COC(=O)c1ccc(OC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1Cl ZINC001459354295 1067301764 /nfs/dbraw/zinc/30/17/64/1067301764.db2.gz SGGMVUVOMYKITR-GOSISDBHSA-N 0 0 452.732 4.632 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)C1 ZINC001453373704 1067301883 /nfs/dbraw/zinc/30/18/83/1067301883.db2.gz WIMOBCUTNYBRLT-JKSUJKDBSA-N 0 0 461.908 4.967 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)[C@H](C)C(=O)OC(C)(C)C ZINC001453380085 1067302318 /nfs/dbraw/zinc/30/23/18/1067302318.db2.gz ZOPLDQFTJWQFKK-OAHLLOKOSA-N 0 0 454.398 4.917 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cnc(-c2ccccc2Br)s1)c1cc(C)cc(C)c1 ZINC001459359026 1067302382 /nfs/dbraw/zinc/30/23/82/1067302382.db2.gz DRJHUFAGHHMNPM-GOSISDBHSA-N 0 0 459.365 4.834 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)Cn2c3ccccc3nc2SC(F)F)n1 ZINC001453382059 1067302369 /nfs/dbraw/zinc/30/23/69/1067302369.db2.gz NNJNBJDHLWKDHU-UHFFFAOYSA-N 0 0 454.915 4.500 20 0 JJADRN CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC001453377810 1067302387 /nfs/dbraw/zinc/30/23/87/1067302387.db2.gz TUVHBHCKGHBBLS-UHFFFAOYSA-N 0 0 459.974 4.968 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC001453384534 1067302403 /nfs/dbraw/zinc/30/24/03/1067302403.db2.gz YSVCSXICROVYHJ-UHFFFAOYSA-N 0 0 456.911 4.742 20 0 JJADRN CCC1(CC)CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)C1 ZINC001546108415 1067303054 /nfs/dbraw/zinc/30/30/54/1067303054.db2.gz BCHXJBHFXWGZTA-DEOSSOPVSA-N 0 0 453.675 4.875 20 0 JJADRN C[C@H](CCC1CC1)NC(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001459364164 1067303286 /nfs/dbraw/zinc/30/32/86/1067303286.db2.gz UZYWDASFEUOQCB-LLVKDONJSA-N 0 0 458.727 4.567 20 0 JJADRN CCN(C)[C@@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395337 1067303383 /nfs/dbraw/zinc/30/33/83/1067303383.db2.gz GVERJWIKJPQOJY-XZOQPEGZSA-N 0 0 453.583 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)C1 ZINC001453396687 1067303659 /nfs/dbraw/zinc/30/36/59/1067303659.db2.gz HNVXMUXHZZUXAE-IBGZPJMESA-N 0 0 454.552 4.699 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001453395792 1067303709 /nfs/dbraw/zinc/30/37/09/1067303709.db2.gz DFUNQYDSNKPQOC-VQTJNVASSA-N 0 0 457.368 4.564 20 0 JJADRN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453395389 1067303726 /nfs/dbraw/zinc/30/37/26/1067303726.db2.gz BATNINBKKLLKNK-NEABXICISA-N 0 0 455.179 4.805 20 0 JJADRN COCCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C)cc1C ZINC001459364166 1067303607 /nfs/dbraw/zinc/30/36/07/1067303607.db2.gz SQDIIZQZGDFPJK-UHFFFAOYSA-N 0 0 453.896 4.600 20 0 JJADRN CCCN(CC(=O)OCC)CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001459365137 1067303884 /nfs/dbraw/zinc/30/38/84/1067303884.db2.gz PDLGDNVCCMCSMV-UHFFFAOYSA-N 0 0 453.608 4.721 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C)c(C)c1 ZINC001459367422 1067304385 /nfs/dbraw/zinc/30/43/85/1067304385.db2.gz SUQGKGSMDOYROG-QFIPXVFZSA-N 0 0 458.967 4.565 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC001459366951 1067304397 /nfs/dbraw/zinc/30/43/97/1067304397.db2.gz HWTDMMQPOMFWAJ-JOCHJYFZSA-N 0 0 459.480 4.631 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C)c(C)c1 ZINC001459367240 1067304422 /nfs/dbraw/zinc/30/44/22/1067304422.db2.gz SUQGKGSMDOYROG-JOCHJYFZSA-N 0 0 458.967 4.565 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CSc2nncn2-c2cccc(Cl)c2)CO1 ZINC001453405545 1067304623 /nfs/dbraw/zinc/30/46/23/1067304623.db2.gz ZRBGTJHDJUYOET-FQEVSTJZSA-N 0 0 456.999 4.609 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1cccc(Cl)c1F ZINC001459367391 1067304758 /nfs/dbraw/zinc/30/47/58/1067304758.db2.gz SOSAJZSEFLLEET-KDOFPFPSSA-N 0 0 455.755 4.808 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)C1(c2ccc(Br)cc2)CCCCC1)c1ccncc1 ZINC001459367388 1067304919 /nfs/dbraw/zinc/30/49/19/1067304919.db2.gz SGPFTXSEVCXGBR-QFIPXVFZSA-N 0 0 459.384 4.641 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050698 1067304897 /nfs/dbraw/zinc/30/48/97/1067304897.db2.gz ANLHZODYNQTWRL-GNBJCERTSA-N 0 0 487.620 4.878 20 0 JJADRN CCCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001459370365 1067305373 /nfs/dbraw/zinc/30/53/73/1067305373.db2.gz YYZSOWLOCICQKV-KRWDZBQOSA-N 0 0 453.974 4.753 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)O1 ZINC001546050870 1067305351 /nfs/dbraw/zinc/30/53/51/1067305351.db2.gz CQERPVJZKIZOIV-PXDATVDWSA-N 0 0 450.587 4.506 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)c2)n1 ZINC001453432751 1067305629 /nfs/dbraw/zinc/30/56/29/1067305629.db2.gz PROMLQGEYAAWTD-LJQANCHMSA-N 0 0 456.612 4.726 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001459371636 1067305637 /nfs/dbraw/zinc/30/56/37/1067305637.db2.gz GVNNBLWHRHLHPV-UHFFFAOYSA-N 0 0 454.368 4.611 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001459371744 1067305759 /nfs/dbraw/zinc/30/57/59/1067305759.db2.gz CYLNRAOIPMMPAL-OAQYLSRUSA-N 0 0 452.558 4.831 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)O1 ZINC001546050966 1067306281 /nfs/dbraw/zinc/30/62/81/1067306281.db2.gz DXURFVBTLRMSIT-CJAUYULYSA-N 0 0 487.551 4.934 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546051005 1067306317 /nfs/dbraw/zinc/30/63/17/1067306317.db2.gz FLZKPKLXBQDGQQ-LVXARBLLSA-N 0 0 465.598 4.650 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@H](CCF)C3)c2)cc1C ZINC001453448403 1067306664 /nfs/dbraw/zinc/30/66/64/1067306664.db2.gz SNLQVGDPECFBQI-QGZVFWFLSA-N 0 0 452.979 4.969 20 0 JJADRN CC(C)N(CC(=O)NCCOc1cccc(Cl)c1)Cc1cc(Br)ccc1F ZINC001459374324 1067306836 /nfs/dbraw/zinc/30/68/36/1067306836.db2.gz JYEVWHFKPFUSJX-UHFFFAOYSA-N 0 0 457.771 4.647 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459374729 1067306881 /nfs/dbraw/zinc/30/68/81/1067306881.db2.gz ZRWMRBSSJQNOQD-UHFFFAOYSA-N 0 0 451.336 4.886 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)CC(=O)N(C)[C@H](C)c3ccccc3)c(F)c2)c(F)c1 ZINC001459375819 1067307123 /nfs/dbraw/zinc/30/71/23/1067307123.db2.gz KTLUBVLSNZHGSX-QGZVFWFLSA-N 0 0 452.501 4.932 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001459377199 1067307249 /nfs/dbraw/zinc/30/72/49/1067307249.db2.gz OUGNYSJTPYVLJP-MRXNPFEDSA-N 0 0 459.974 4.979 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCc3sc(Br)cc3C2)CCC1 ZINC001453477469 1067307677 /nfs/dbraw/zinc/30/76/77/1067307677.db2.gz INFDWGQNIJVOND-UHFFFAOYSA-N 0 0 455.418 4.718 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H](c4cccc(F)c4)OCC3(C)C)[nH]n2)c1C ZINC001453480008 1067308229 /nfs/dbraw/zinc/30/82/29/1067308229.db2.gz RWYOZAGCTHEZAQ-IVZQSRNASA-N 0 0 453.562 4.992 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001453479028 1067308257 /nfs/dbraw/zinc/30/82/57/1067308257.db2.gz LVPBJAXEXYHSIJ-UHFFFAOYSA-N 0 0 456.301 4.687 20 0 JJADRN O=C(OCc1nnc2ccccc2n1)c1ccccc1OCc1ccc(Br)cc1 ZINC001459380429 1067308236 /nfs/dbraw/zinc/30/82/36/1067308236.db2.gz XJJUUGWLKXTHJI-UHFFFAOYSA-N 0 0 450.292 4.723 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1 ZINC001459381938 1067308483 /nfs/dbraw/zinc/30/84/83/1067308483.db2.gz YUUZSUKVLANDGT-UHFFFAOYSA-N 0 0 452.363 4.797 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)cc1OC ZINC001453480472 1067308625 /nfs/dbraw/zinc/30/86/25/1067308625.db2.gz ARUGNSAKOHQSND-KRWDZBQOSA-N 0 0 454.748 4.724 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546108450 1067308590 /nfs/dbraw/zinc/30/85/90/1067308590.db2.gz BQLPFOKFCFTOEL-GHTZIAJQSA-N 0 0 461.601 4.770 20 0 JJADRN COCCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@H](C)c1ccccc1 ZINC001459380614 1067308659 /nfs/dbraw/zinc/30/86/59/1067308659.db2.gz UIKCYGWLJTZJAH-FQRUVTKNSA-N 0 0 457.014 4.846 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001453484978 1067308749 /nfs/dbraw/zinc/30/87/49/1067308749.db2.gz YTEKWSMZQWGOHJ-FUDBJYBQSA-N 0 0 459.295 4.961 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546051734 1067308763 /nfs/dbraw/zinc/30/87/63/1067308763.db2.gz OCCMTIUFYVZYQY-QRWLVFNGSA-N 0 0 472.939 4.840 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001453484980 1067308929 /nfs/dbraw/zinc/30/89/29/1067308929.db2.gz YTEKWSMZQWGOHJ-HDAJJNEKSA-N 0 0 459.295 4.961 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001453484983 1067308995 /nfs/dbraw/zinc/30/89/95/1067308995.db2.gz YTEKWSMZQWGOHJ-PYJSORCASA-N 0 0 459.295 4.961 20 0 JJADRN O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc2cc(Br)ccc2c1 ZINC001453485006 1067309018 /nfs/dbraw/zinc/30/90/18/1067309018.db2.gz ZBLNLGFDOKWMFZ-NRFANRHFSA-N 0 0 459.771 4.891 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2ccc(C(F)(F)F)cn2)cc1I ZINC001459383332 1067309227 /nfs/dbraw/zinc/30/92/27/1067309227.db2.gz WKKDOTZTEFJLBZ-SECBINFHSA-N 0 0 451.182 4.632 20 0 JJADRN Cc1ccc2oc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)cc2c1 ZINC001453496187 1067309236 /nfs/dbraw/zinc/30/92/36/1067309236.db2.gz GZDACRKEYPOWQV-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN C[C@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC001459382750 1067309362 /nfs/dbraw/zinc/30/93/62/1067309362.db2.gz SJBYRDUYTFVQCK-YQNUULROSA-N 0 0 455.396 4.649 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)O1 ZINC001546051775 1067309608 /nfs/dbraw/zinc/30/96/08/1067309608.db2.gz ONWYFIUTMJQHJU-UGKGYDQZSA-N 0 0 462.520 4.867 20 0 JJADRN CN(Cc1cn(C)nn1)C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC001453514954 1067310474 /nfs/dbraw/zinc/31/04/74/1067310474.db2.gz WLWFDMYGJAIWDA-UHFFFAOYSA-N 0 0 456.615 4.889 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCc2cc(OC)ccc2C1)NC(=O)OC(C)(C)C ZINC001453512066 1067310543 /nfs/dbraw/zinc/31/05/43/1067310543.db2.gz BNBCXHBXOGUYCC-QFIPXVFZSA-N 0 0 454.567 4.635 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(I)cc1Cl ZINC001459387696 1067310705 /nfs/dbraw/zinc/31/07/05/1067310705.db2.gz PCBYJUHODGBDRI-UHFFFAOYSA-N 0 0 454.617 4.597 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NCc2ccc(I)cc2Cl)c1 ZINC001459389594 1067310722 /nfs/dbraw/zinc/31/07/22/1067310722.db2.gz SNGKATZSKQODNN-CYBMUJFWSA-N 0 0 457.739 4.838 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@H](c2ccccc2Br)C1 ZINC001459389468 1067310743 /nfs/dbraw/zinc/31/07/43/1067310743.db2.gz CXQSUNAOQLKSRB-YWZLYKJASA-N 0 0 451.792 4.695 20 0 JJADRN Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(I)cc1Cl ZINC001459387793 1067310880 /nfs/dbraw/zinc/31/08/80/1067310880.db2.gz PKXKMIOEWSQAOQ-UHFFFAOYSA-N 0 0 452.679 4.838 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532281 1067311179 /nfs/dbraw/zinc/31/11/79/1067311179.db2.gz AUEFDPMJQMIDRI-FYYLOGMGSA-N 0 0 456.608 4.526 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001453535838 1067311602 /nfs/dbraw/zinc/31/16/02/1067311602.db2.gz LBJBIRZCUKKMQH-APWZRJJASA-N 0 0 453.530 4.791 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1nnc(CN(CCc2ccccc2F)C2CCCC2)s1 ZINC001459394355 1067312056 /nfs/dbraw/zinc/31/20/56/1067312056.db2.gz QYTFSQQOHZFVHC-UHFFFAOYSA-N 0 0 456.562 4.734 20 0 JJADRN Cc1ccc2nc(C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)ccc2c1 ZINC001453539688 1067312010 /nfs/dbraw/zinc/31/20/10/1067312010.db2.gz GVJHNIXAOOIPQV-DLBZAZTESA-N 0 0 451.489 4.709 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCC([C@@H]3CCCCO3)CC2)[C@@H]1c1ccccc1OC ZINC001453537699 1067312041 /nfs/dbraw/zinc/31/20/41/1067312041.db2.gz YUQTVEMEGKLGBT-FXSPECFOSA-N 0 0 456.627 4.583 20 0 JJADRN O=C(c1c(F)ccc(I)c1Cl)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001453544050 1067312709 /nfs/dbraw/zinc/31/27/09/1067312709.db2.gz WSQKVDQKKBLFBW-SMDDNHRTSA-N 0 0 451.707 4.505 20 0 JJADRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001459399522 1067313203 /nfs/dbraw/zinc/31/32/03/1067313203.db2.gz CUDBRTAJADDYOR-OLZOCXBDSA-N 0 0 456.262 4.542 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1cc3c([nH]c1=O)CCCCC3)CCC2 ZINC001453546146 1067313340 /nfs/dbraw/zinc/31/33/40/1067313340.db2.gz WFIWQRJFURZZRJ-UHFFFAOYSA-N 0 0 451.567 4.674 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cccc(C(F)F)c2F)CC[C@H]1C(F)(F)F ZINC001453547503 1067313395 /nfs/dbraw/zinc/31/33/95/1067313395.db2.gz QRUGLIQDTMYPJH-SMDDNHRTSA-N 0 0 454.411 4.929 20 0 JJADRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001459399104 1067313473 /nfs/dbraw/zinc/31/34/73/1067313473.db2.gz ALBOTOOLRLRGIC-BHIFYINESA-N 0 0 456.631 4.678 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001546108615 1067313777 /nfs/dbraw/zinc/31/37/77/1067313777.db2.gz GXEIINTWFOBWSC-OAQYLSRUSA-N 0 0 454.619 4.678 20 0 JJADRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC001453551423 1067314108 /nfs/dbraw/zinc/31/41/08/1067314108.db2.gz RHYSDHCNAHQHTF-UHFFFAOYSA-N 0 0 450.376 4.824 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459402037 1067314188 /nfs/dbraw/zinc/31/41/88/1067314188.db2.gz BVXYITDACMRLKS-IEBWSBKVSA-N 0 0 458.628 4.777 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)C(=O)c2ccc3c(c2)nnn3C)c(Br)c1 ZINC001459402146 1067314326 /nfs/dbraw/zinc/31/43/26/1067314326.db2.gz KWAOTXJOQINIIF-UHFFFAOYSA-N 0 0 455.381 4.943 20 0 JJADRN CCOC(=O)CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001459402217 1067314338 /nfs/dbraw/zinc/31/43/38/1067314338.db2.gz BDSQBRBIFBDNRA-UHFFFAOYSA-N 0 0 454.368 4.829 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)c(OC)c1 ZINC001459406529 1067314957 /nfs/dbraw/zinc/31/49/57/1067314957.db2.gz FYGLDCYLAQTTQV-UHFFFAOYSA-N 0 0 458.921 4.520 20 0 JJADRN CCO[C@H](C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@@H]1CCOC1 ZINC001459408088 1067315173 /nfs/dbraw/zinc/31/51/73/1067315173.db2.gz ZQEWFKPIXGRYLT-XLIONFOSSA-N 0 0 452.414 4.789 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(OC)c1 ZINC001453574994 1067315324 /nfs/dbraw/zinc/31/53/24/1067315324.db2.gz DYBDYMDVTCWLHX-NZYMLQBQSA-N 0 0 466.578 4.626 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)c(OC)c1 ZINC001459410353 1067315695 /nfs/dbraw/zinc/31/56/95/1067315695.db2.gz SXIXNYJVWPAXHN-SFHVURJKSA-N 0 0 451.489 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2ccc(Br)cc2)C1 ZINC001453580971 1067316067 /nfs/dbraw/zinc/31/60/67/1067316067.db2.gz UTEYWYLJOJXDRN-LEWJYISDSA-N 0 0 473.411 4.901 20 0 JJADRN C[C@@H]1CCCN(C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453581677 1067316099 /nfs/dbraw/zinc/31/60/99/1067316099.db2.gz LKQNCTFVQLKVLM-QFUCXCTJSA-N 0 0 471.564 4.812 20 0 JJADRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC001459412017 1067316514 /nfs/dbraw/zinc/31/65/14/1067316514.db2.gz BXPAZHLRXQKMDE-MRXNPFEDSA-N 0 0 455.436 4.722 20 0 JJADRN CC1(C)CCC[C@](CO)(NC(=O)CCc2cc(Br)c(Br)s2)C1 ZINC001453587309 1067316614 /nfs/dbraw/zinc/31/66/14/1067316614.db2.gz OABMVMFROHVADZ-INIZCTEOSA-N 0 0 453.240 4.653 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@@]3(CO)CCCC(C)(C)C3)ccc21 ZINC001453589239 1067317119 /nfs/dbraw/zinc/31/71/19/1067317119.db2.gz WIEVJVXICAEVBH-SANMLTNESA-N 0 0 457.615 4.617 20 0 JJADRN C[C@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001453594507 1067317174 /nfs/dbraw/zinc/31/71/74/1067317174.db2.gz IBDIXTLTWQNDGY-LPHOPBHVSA-N 0 0 451.654 4.760 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412933 1067317197 /nfs/dbraw/zinc/31/71/97/1067317197.db2.gz CLXZBGFFHVXNJX-KBXCAEBGSA-N 0 0 455.393 4.503 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001459413516 1067317409 /nfs/dbraw/zinc/31/74/09/1067317409.db2.gz GAPPPJLNEUTJLI-UHFFFAOYSA-N 0 0 459.447 4.948 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413830 1067317692 /nfs/dbraw/zinc/31/76/92/1067317692.db2.gz JBEYRBJMGUGYAX-IRLDBZIGSA-N 0 0 451.611 4.841 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001453603890 1067317803 /nfs/dbraw/zinc/31/78/03/1067317803.db2.gz CRRFTDUTAULQKT-QKNQBKEWSA-N 0 0 473.614 4.565 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459414502 1067317828 /nfs/dbraw/zinc/31/78/28/1067317828.db2.gz LBXOZAOPMZTXSA-HNNXBMFYSA-N 0 0 450.377 4.841 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)O1 ZINC001546053400 1067317872 /nfs/dbraw/zinc/31/78/72/1067317872.db2.gz AGDNNELKZDHIDE-ZQIDGUAPSA-N 0 0 481.685 4.514 20 0 JJADRN C[C@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cc(F)c(Br)cc1F ZINC001453605240 1067318143 /nfs/dbraw/zinc/31/81/43/1067318143.db2.gz MEMLYRTZEQQAKT-XXFAHNHDSA-N 0 0 452.217 4.527 20 0 JJADRN C[C@@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cc(F)c(Br)cc1F ZINC001453605201 1067318376 /nfs/dbraw/zinc/31/83/76/1067318376.db2.gz MEMLYRTZEQQAKT-ABKXIKBNSA-N 0 0 452.217 4.527 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001459414701 1067318279 /nfs/dbraw/zinc/31/82/79/1067318279.db2.gz QILDEFJREVQREF-QGZVFWFLSA-N 0 0 451.394 4.894 20 0 JJADRN C[C@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453607647 1067318537 /nfs/dbraw/zinc/31/85/37/1067318537.db2.gz LYEGAGJVVRUZGB-JXFKEZNVSA-N 0 0 455.555 4.878 20 0 JJADRN Cc1occc1C(=O)NC1CCN(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1 ZINC001459415016 1067318578 /nfs/dbraw/zinc/31/85/78/1067318578.db2.gz HZIKJRBWTBWBDB-UHFFFAOYSA-N 0 0 451.420 4.795 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c(OC)c1 ZINC001459414971 1067318640 /nfs/dbraw/zinc/31/86/40/1067318640.db2.gz NADXYDOCZBSBAW-UTKZUKDTSA-N 0 0 450.457 4.579 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001453607766 1067318718 /nfs/dbraw/zinc/31/87/18/1067318718.db2.gz QZLXPFDXNLBMIN-JRGCBEDISA-N 0 0 453.583 4.749 20 0 JJADRN CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 ZINC001453622157 1067319529 /nfs/dbraw/zinc/31/95/29/1067319529.db2.gz XOFYUEYXYGPVMI-UHFFFAOYSA-N 0 0 459.428 4.842 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(C(F)(F)F)n(C)n2)c(Br)c1 ZINC001459418838 1067319485 /nfs/dbraw/zinc/31/94/85/1067319485.db2.gz MSVSDWSEZUMGSE-UHFFFAOYSA-N 0 0 456.262 4.945 20 0 JJADRN O=C(Nc1ccccc1)N1CC[C@H](NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001459418859 1067319627 /nfs/dbraw/zinc/31/96/27/1067319627.db2.gz WVSRMUKREGEHLK-INIZCTEOSA-N 0 0 451.876 4.813 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c(OC)c1 ZINC001453632624 1067319844 /nfs/dbraw/zinc/31/98/44/1067319844.db2.gz KCXPWJWRDYXABK-HNNXBMFYSA-N 0 0 450.560 4.997 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001459418999 1067320124 /nfs/dbraw/zinc/32/01/24/1067320124.db2.gz BWLPDOPNHQKFAU-NRFANRHFSA-N 0 0 454.514 4.856 20 0 JJADRN CC(C)N(C(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(CC(=O)N(C)C)cc1 ZINC001459420412 1067320173 /nfs/dbraw/zinc/32/01/73/1067320173.db2.gz XMQHDFPDNMAYIF-UHFFFAOYSA-N 0 0 456.384 4.545 20 0 JJADRN CC(C)COC(=O)N1CCCN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001459421092 1067320426 /nfs/dbraw/zinc/32/04/26/1067320426.db2.gz RGMCHNDMSVICPJ-FQEVSTJZSA-N 0 0 455.624 4.965 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001453643373 1067320496 /nfs/dbraw/zinc/32/04/96/1067320496.db2.gz QKHRZWHYGPRJRZ-OAQYLSRUSA-N 0 0 456.951 4.572 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001546108730 1067320587 /nfs/dbraw/zinc/32/05/87/1067320587.db2.gz JVWYNDWPGRZNKH-NJDAHSKKSA-N 0 0 475.678 4.834 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)O1 ZINC001546053731 1067320691 /nfs/dbraw/zinc/32/06/91/1067320691.db2.gz FCCPVUNQDMWHLH-LJFZDNNRSA-N 0 0 464.557 4.758 20 0 JJADRN CC(C)CCOc1ccc(C(=O)NCCOc2ccc(I)cc2)cc1 ZINC001459423167 1067321455 /nfs/dbraw/zinc/32/14/55/1067321455.db2.gz GFABTBBNPYANEM-UHFFFAOYSA-N 0 0 453.320 4.525 20 0 JJADRN COCCCCN(C(=O)[C@@H](C)Oc1ccc(SC)cc1)c1ccc(Br)cn1 ZINC001459423377 1067321485 /nfs/dbraw/zinc/32/14/85/1067321485.db2.gz AFEPXBWXVMVGSF-OAHLLOKOSA-N 0 0 453.402 4.793 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)C1=NN(c3ccc(F)cc3)[C@H](C(N)=O)C1)C(C)(C)C[C@H]2C ZINC001459423647 1067321661 /nfs/dbraw/zinc/32/16/61/1067321661.db2.gz CXMOACAKRNWNRE-ZHRRBRCNSA-N 0 0 450.558 4.688 20 0 JJADRN CCc1oc2ccccc2c1CC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453679859 1067321777 /nfs/dbraw/zinc/32/17/77/1067321777.db2.gz HFYYKHFCHUWBFK-YLJYHZDGSA-N 0 0 458.480 4.601 20 0 JJADRN CC(C)[C@H](C(=O)OCc1c(F)ccc(Br)c1F)S(=O)(=O)C1CCCCC1 ZINC001459423428 1067321785 /nfs/dbraw/zinc/32/17/85/1067321785.db2.gz AYRRFNJREZRLEB-QGZVFWFLSA-N 0 0 453.345 4.543 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)nc21 ZINC001459423520 1067321800 /nfs/dbraw/zinc/32/18/00/1067321800.db2.gz OGFVFTDPFZITNH-ZDUSSCGKSA-N 0 0 452.418 4.844 20 0 JJADRN Cc1ccn2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3cccc(Cl)c3)c2c1 ZINC001459425110 1067322349 /nfs/dbraw/zinc/32/23/49/1067322349.db2.gz IUMKVPIITUNVGY-FQEVSTJZSA-N 0 0 454.958 4.730 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001459425212 1067322603 /nfs/dbraw/zinc/32/26/03/1067322603.db2.gz JISAAHLRBSSFHY-OAQYLSRUSA-N 0 0 455.393 4.613 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)CCc3nc(-c4ccccn4)no3)nc21 ZINC001459426451 1067322738 /nfs/dbraw/zinc/32/27/38/1067322738.db2.gz UGEUJBJZBMWDBG-UHFFFAOYSA-N 0 0 458.341 4.638 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1c(F)cc(F)cc1Oc1ccccc1C)C2=O ZINC001453690045 1067322799 /nfs/dbraw/zinc/32/27/99/1067322799.db2.gz NIDUNMAOVYJJNZ-OAHLLOKOSA-N 0 0 450.441 4.997 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)Cc2ccccc2OC)O1 ZINC001546053909 1067322847 /nfs/dbraw/zinc/32/28/47/1067322847.db2.gz GXYZMHLYJJIVEZ-XAJLNHFYSA-N 0 0 463.626 4.688 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001453703599 1067323482 /nfs/dbraw/zinc/32/34/82/1067323482.db2.gz BNSZYWLGIXWJSR-INIZCTEOSA-N 0 0 456.732 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)ccc21 ZINC001453705809 1067323655 /nfs/dbraw/zinc/32/36/55/1067323655.db2.gz JPXHAXDPIVMYRA-KRWDZBQOSA-N 0 0 451.350 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](CO)c3cccc(Cl)c3Cl)ccc21 ZINC001453705814 1067323706 /nfs/dbraw/zinc/32/37/06/1067323706.db2.gz JPXHAXDPIVMYRA-QGZVFWFLSA-N 0 0 451.350 4.754 20 0 JJADRN C[C@@](CO)(NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1cccc(C(F)(F)F)c1 ZINC001453707246 1067323932 /nfs/dbraw/zinc/32/39/32/1067323932.db2.gz ZMMSRNFIWCNSPQ-IBGZPJMESA-N 0 0 458.267 4.835 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546108866 1067324396 /nfs/dbraw/zinc/32/43/96/1067324396.db2.gz MNEPPVZLUSEQLV-UXHICEINSA-N 0 0 461.651 4.936 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436388 1067325047 /nfs/dbraw/zinc/32/50/47/1067325047.db2.gz HQJCBVHNKCWYNG-DOTOQJQBSA-N 0 0 458.624 4.826 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC001453736770 1067325233 /nfs/dbraw/zinc/32/52/33/1067325233.db2.gz NYCCIWMHUBNCCW-IFMALSPDSA-N 0 0 450.535 4.549 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)Cc1csc(C2CCCC2)n1)c1ccc(Br)cc1 ZINC001453739762 1067325653 /nfs/dbraw/zinc/32/56/53/1067325653.db2.gz CDBOXTGCGRIKED-LJQANCHMSA-N 0 0 459.413 4.745 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001459446250 1067325881 /nfs/dbraw/zinc/32/58/81/1067325881.db2.gz GINDHYOUQIEHHC-OAHLLOKOSA-N 0 0 452.860 4.761 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001453748287 1067326853 /nfs/dbraw/zinc/32/68/53/1067326853.db2.gz QHMMWWKWQNGXEG-INIZCTEOSA-N 0 0 454.246 4.601 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546054595 1067327053 /nfs/dbraw/zinc/32/70/53/1067327053.db2.gz PLGSUFKIMAKMOM-UGKGYDQZSA-N 0 0 463.395 4.845 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001546108985 1067327469 /nfs/dbraw/zinc/32/74/69/1067327469.db2.gz QHKOBVXKOGAUIE-JPYJTQIMSA-N 0 0 466.548 4.639 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(CN3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)s2)cc1 ZINC001459456857 1067328035 /nfs/dbraw/zinc/32/80/35/1067328035.db2.gz PWZSOZQDXCKAAU-NRFANRHFSA-N 0 0 456.999 4.698 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001546108987 1067328054 /nfs/dbraw/zinc/32/80/54/1067328054.db2.gz QHKOBVXKOGAUIE-WZONZLPQSA-N 0 0 466.548 4.639 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC001459455654 1067328108 /nfs/dbraw/zinc/32/81/08/1067328108.db2.gz XCXDNNNKCVVOJJ-UHFFFAOYSA-N 0 0 453.841 4.855 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1I ZINC001459456018 1067328125 /nfs/dbraw/zinc/32/81/25/1067328125.db2.gz YNNPZVHYKAIDKB-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001546109012 1067328457 /nfs/dbraw/zinc/32/84/57/1067328457.db2.gz RAOJWZDQPRCCBE-NRFANRHFSA-N 0 0 497.581 4.678 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001546109007 1067328505 /nfs/dbraw/zinc/32/85/05/1067328505.db2.gz QXUYIDOCPUBBJE-GOSISDBHSA-N 0 0 467.536 4.921 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546054760 1067328616 /nfs/dbraw/zinc/32/86/16/1067328616.db2.gz SAILWLLCMHNINK-HHJKRLRDSA-N 0 0 463.667 4.565 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3n[nH]cc3I)c3ccccc3n2)cc1 ZINC001453777484 1067329347 /nfs/dbraw/zinc/32/93/47/1067329347.db2.gz ZHYJLSAEANBXDW-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC001453790309 1067329760 /nfs/dbraw/zinc/32/97/60/1067329760.db2.gz VRUPALWYGUGJCH-XMMPIXPASA-N 0 0 453.564 4.705 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)O1 ZINC001546055047 1067329806 /nfs/dbraw/zinc/32/98/06/1067329806.db2.gz WLYIAJCCTJKICF-DVBNTOJCSA-N 0 0 473.706 4.689 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001453786881 1067329894 /nfs/dbraw/zinc/32/98/94/1067329894.db2.gz NHAYAYWOHVVTCS-FQEVSTJZSA-N 0 0 459.420 4.717 20 0 JJADRN Cc1ccccc1-n1cc(COC(=O)c2ccc(OC(F)(F)F)cc2Br)nn1 ZINC001459461927 1067329944 /nfs/dbraw/zinc/32/99/44/1067329944.db2.gz STQBROCVCXCBFJ-UHFFFAOYSA-N 0 0 456.218 4.594 20 0 JJADRN COc1nsc(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1Br ZINC001453798958 1067330056 /nfs/dbraw/zinc/33/00/56/1067330056.db2.gz GKOAONOJLKSTPF-UHFFFAOYSA-N 0 0 458.790 4.930 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC001459463484 1067330414 /nfs/dbraw/zinc/33/04/14/1067330414.db2.gz XZTIDYAUTNTUTL-SPEDKVCISA-N 0 0 451.405 4.543 20 0 JJADRN CC[C@@H](C)c1ncc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cn1 ZINC001459462463 1067330457 /nfs/dbraw/zinc/33/04/57/1067330457.db2.gz DGEZQKDALMVKSV-OAHLLOKOSA-N 0 0 458.971 4.721 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC001453820341 1067330667 /nfs/dbraw/zinc/33/06/67/1067330667.db2.gz OREVOTUJDXPJTG-FGZHOGPDSA-N 0 0 459.876 4.680 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2CCC(COC)CC2)sc(Cl)c1-c1ccccc1 ZINC001459464222 1067330796 /nfs/dbraw/zinc/33/07/96/1067330796.db2.gz JMEKNGXDODEMIN-UHFFFAOYSA-N 0 0 450.988 4.542 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)c1 ZINC001459463716 1067330984 /nfs/dbraw/zinc/33/09/84/1067330984.db2.gz IHNLJZPTAYSOIW-FQEVSTJZSA-N 0 0 458.942 4.561 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC001459468670 1067331565 /nfs/dbraw/zinc/33/15/65/1067331565.db2.gz FGQMWLVRGBIIOJ-UHFFFAOYSA-N 0 0 450.988 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cccc4c3OC(C)(C)CC4)cn2)C1 ZINC001453839499 1067331782 /nfs/dbraw/zinc/33/17/82/1067331782.db2.gz LJIFZAZVLLVRRD-IBGZPJMESA-N 0 0 454.571 4.811 20 0 JJADRN COc1cc(NCCNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc(OC)c1 ZINC001546055415 1067332422 /nfs/dbraw/zinc/33/24/22/1067332422.db2.gz BZDVEFRNEDKRPP-QHCPKHFHSA-N 0 0 458.917 4.845 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC001459468639 1067332341 /nfs/dbraw/zinc/33/23/41/1067332341.db2.gz OEVAVKJRRISUMC-KKSFZXQISA-N 0 0 455.400 4.666 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC001459468633 1067332411 /nfs/dbraw/zinc/33/24/11/1067332411.db2.gz OEVAVKJRRISUMC-IIBYNOLFSA-N 0 0 455.400 4.666 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC001459468818 1067332758 /nfs/dbraw/zinc/33/27/58/1067332758.db2.gz RLPVWKFGIQSKQG-QHCPKHFHSA-N 0 0 454.567 4.700 20 0 JJADRN COc1cccc(CNC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1C ZINC001453869632 1067332775 /nfs/dbraw/zinc/33/27/75/1067332775.db2.gz JLJHGAYRVXKEDV-UHFFFAOYSA-N 0 0 459.612 4.813 20 0 JJADRN C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Br)cc1 ZINC001459469394 1067332939 /nfs/dbraw/zinc/33/29/39/1067332939.db2.gz NZCWZICOGRRYKL-ZHRRBRCNSA-N 0 0 451.405 4.802 20 0 JJADRN O=C(CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1nc2ccc(F)cc2s1 ZINC001459470138 1067333095 /nfs/dbraw/zinc/33/30/95/1067333095.db2.gz RPGIFSFEODSGQP-MRXNPFEDSA-N 0 0 458.317 4.893 20 0 JJADRN CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001453872823 1067333162 /nfs/dbraw/zinc/33/31/62/1067333162.db2.gz QTJFUTVZGUNJKG-SVMVAKDDSA-N 0 0 453.421 4.782 20 0 JJADRN COc1cccc(CNC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1C ZINC001453873680 1067333196 /nfs/dbraw/zinc/33/31/96/1067333196.db2.gz QXFNMZFLFKBHSF-UHFFFAOYSA-N 0 0 457.324 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(OC(C)(C)C)cn2)[C@H](c2cccc(F)c2)C1 ZINC001459470589 1067333299 /nfs/dbraw/zinc/33/32/99/1067333299.db2.gz YJQRHBVBMOMDCZ-NRFANRHFSA-N 0 0 457.546 4.832 20 0 JJADRN O=C(NCc1ccsc1Br)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001459470427 1067333389 /nfs/dbraw/zinc/33/33/89/1067333389.db2.gz QPZGNGPZILIRHY-UHFFFAOYSA-N 0 0 453.365 4.747 20 0 JJADRN CCCCC[C@H]1CCCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001453884864 1067333844 /nfs/dbraw/zinc/33/38/44/1067333844.db2.gz RMZNKWSYWORWQU-IBGZPJMESA-N 0 0 455.640 4.710 20 0 JJADRN O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001453894446 1067334582 /nfs/dbraw/zinc/33/45/82/1067334582.db2.gz QNAJTORGWSORJK-UHFFFAOYSA-N 0 0 454.246 4.859 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476078 1067334819 /nfs/dbraw/zinc/33/48/19/1067334819.db2.gz LEUCPALDLHTSJR-WOJBJXKFSA-N 0 0 453.583 4.995 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1nnc(/C=C\c3ccco3)s1)N2C(=O)OC(C)(C)C ZINC001453901965 1067334821 /nfs/dbraw/zinc/33/48/21/1067334821.db2.gz BLVPXIIXZWXDQU-LENZSSGSSA-N 0 0 452.536 4.915 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C1 ZINC001546109117 1067335240 /nfs/dbraw/zinc/33/52/40/1067335240.db2.gz UJSBVTPZKFDYNK-NRFANRHFSA-N 0 0 485.677 4.614 20 0 JJADRN CN(Cc1ccc(Cl)cc1Br)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459479678 1067335260 /nfs/dbraw/zinc/33/52/60/1067335260.db2.gz AZMDFDAXMWWNCJ-HNNXBMFYSA-N 0 0 452.698 4.993 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001459481436 1067336270 /nfs/dbraw/zinc/33/62/70/1067336270.db2.gz SOTMUUMYJXLPSR-KVACCUTFSA-N 0 0 453.542 4.756 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC001459489968 1067337010 /nfs/dbraw/zinc/33/70/10/1067337010.db2.gz HYXGYKAJBYYKQI-GOSISDBHSA-N 0 0 453.970 4.669 20 0 JJADRN O=C(COc1ccccc1Br)Nc1ncc(C(F)(F)F)cc1Br ZINC001459489522 1067337165 /nfs/dbraw/zinc/33/71/65/1067337165.db2.gz WZQHCWKZIYGYGZ-UHFFFAOYSA-N 0 0 454.040 4.643 20 0 JJADRN COc1cccc([C@H](C)N2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC001459490083 1067337386 /nfs/dbraw/zinc/33/73/86/1067337386.db2.gz YTFCJYHQHCGQCB-AWEZNQCLSA-N 0 0 456.801 4.973 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC001459491677 1067337570 /nfs/dbraw/zinc/33/75/70/1067337570.db2.gz VUIOSNQJKOQNMP-VQTJNVASSA-N 0 0 459.974 4.713 20 0 JJADRN C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001459492935 1067337996 /nfs/dbraw/zinc/33/79/96/1067337996.db2.gz VMQKELWLGGWRPX-HUUCEWRRSA-N 0 0 450.377 4.934 20 0 JJADRN Cc1cccc2oc(CCNC(=O)[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)nc21 ZINC001459494282 1067338476 /nfs/dbraw/zinc/33/84/76/1067338476.db2.gz TUFJKROXAVSGFT-WAIKUNEKSA-N 0 0 457.933 4.586 20 0 JJADRN COc1ccc([C@H](CO)N(C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504943 1067340374 /nfs/dbraw/zinc/34/03/74/1067340374.db2.gz VDILQYDIFQGAPV-AWEZNQCLSA-N 0 0 452.165 4.913 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)CCc2cc(F)ccc2Br)c(OC)c1 ZINC001459509074 1067341150 /nfs/dbraw/zinc/34/11/50/1067341150.db2.gz KVYHUONSWZKANP-UHFFFAOYSA-N 0 0 450.348 4.977 20 0 JJADRN COc1cc(N2CCN(C(=O)C(C)(C)COc3cc(Cl)cc(Cl)c3)CC2)ccc1F ZINC001459513836 1067342355 /nfs/dbraw/zinc/34/23/55/1067342355.db2.gz QKHRYXZVHXORKE-UHFFFAOYSA-N 0 0 455.357 4.895 20 0 JJADRN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001459514631 1067342383 /nfs/dbraw/zinc/34/23/83/1067342383.db2.gz NQAXAQHWCAQMBR-IAGOWNOFSA-N 0 0 453.396 4.725 20 0 JJADRN CC(C)(C)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001459514639 1067342513 /nfs/dbraw/zinc/34/25/13/1067342513.db2.gz NQAXAQHWCAQMBR-IRXDYDNUSA-N 0 0 453.396 4.725 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Oc3cc(F)c(Br)cc3Cl)CC2=O)cc1 ZINC001459513808 1067342538 /nfs/dbraw/zinc/34/25/38/1067342538.db2.gz MUQINWFHVQMZBC-NSHDSACASA-N 0 0 456.695 4.599 20 0 JJADRN C[C@H](C1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001459515086 1067342833 /nfs/dbraw/zinc/34/28/33/1067342833.db2.gz MQCIHBZPDKUULX-UZLBHIALSA-N 0 0 451.405 4.977 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1C[C@@H](CC)O[C@@H](C)C1 ZINC001459514543 1067342842 /nfs/dbraw/zinc/34/28/42/1067342842.db2.gz QKKBDDLZNKPVPW-WMLDXEAASA-N 0 0 450.988 4.683 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1C[C@@H](C)O[C@H](CC)C1 ZINC001459514540 1067342857 /nfs/dbraw/zinc/34/28/57/1067342857.db2.gz QKKBDDLZNKPVPW-RHSMWYFYSA-N 0 0 450.988 4.683 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3nnn(-c4ccc(OC(C)C)cc4)c3C)c2)cn1 ZINC001459519491 1067343425 /nfs/dbraw/zinc/34/34/25/1067343425.db2.gz LIOATIKHZAWNED-UHFFFAOYSA-N 0 0 457.534 4.994 20 0 JJADRN O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(I)c(Cl)c1 ZINC001459521693 1067343928 /nfs/dbraw/zinc/34/39/28/1067343928.db2.gz CPWSBVPNEQWHSE-FPLPWBNLSA-N 0 0 454.720 4.884 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C(C)(C)C ZINC001459529605 1067345737 /nfs/dbraw/zinc/34/57/37/1067345737.db2.gz WAEPKBNGDOMCLX-HSZRJFAPSA-N 0 0 451.611 4.919 20 0 JJADRN COc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459530276 1067346025 /nfs/dbraw/zinc/34/60/25/1067346025.db2.gz OCYYDNJYIMFLTN-LPHOPBHVSA-N 0 0 456.970 4.537 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1 ZINC001459531262 1067346318 /nfs/dbraw/zinc/34/63/18/1067346318.db2.gz TVZJEODTVJXQSR-HHHXNRCGSA-N 0 0 452.570 4.714 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001459531901 1067346561 /nfs/dbraw/zinc/34/65/61/1067346561.db2.gz XIQXAUADGHUXGL-QGZVFWFLSA-N 0 0 453.967 4.674 20 0 JJADRN O=C(Nc1cccc(Br)c1Cl)c1ccc(Br)cc1-n1cncn1 ZINC001459535626 1067347492 /nfs/dbraw/zinc/34/74/92/1067347492.db2.gz YCZXPAVTSLLHLO-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3C[C@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540935 1067347921 /nfs/dbraw/zinc/34/79/21/1067347921.db2.gz LLKFMWMEKQLJOQ-SJORKVTESA-N 0 0 455.624 4.947 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(C)ccc1N(C)C(C)C ZINC001459545484 1067348209 /nfs/dbraw/zinc/34/82/09/1067348209.db2.gz AFZFXUOKRVOKLB-UHFFFAOYSA-N 0 0 450.410 4.925 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001459549555 1067348855 /nfs/dbraw/zinc/34/88/55/1067348855.db2.gz YOGUKBKZUOBTRR-OAQYLSRUSA-N 0 0 458.389 4.964 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001459553091 1067349847 /nfs/dbraw/zinc/34/98/47/1067349847.db2.gz ZEFVGDSMBHSGBD-HZPDHXFCSA-N 0 0 459.295 4.679 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001459557264 1067350126 /nfs/dbraw/zinc/35/01/26/1067350126.db2.gz SYYWTVMSYNYFRU-UHFFFAOYSA-N 0 0 453.480 4.838 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001459555939 1067350247 /nfs/dbraw/zinc/35/02/47/1067350247.db2.gz NNOZMIXXTIPTHG-QGZVFWFLSA-N 0 0 458.868 4.880 20 0 JJADRN COCC1(C(=O)N(C)c2nc3ccc(Cl)cc3s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459557155 1067350296 /nfs/dbraw/zinc/35/02/96/1067350296.db2.gz SFAQMWCPZHTHIL-UHFFFAOYSA-N 0 0 453.992 4.576 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C)c2ccsc2)cc1 ZINC001459557468 1067350926 /nfs/dbraw/zinc/35/09/26/1067350926.db2.gz IUJBJVLLQXHEPY-OAHLLOKOSA-N 0 0 454.573 4.757 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C1(CCCOCc2ccccc2)CC1 ZINC001459565736 1067353167 /nfs/dbraw/zinc/35/31/67/1067353167.db2.gz WQKDUHXJIBVDAR-OAQYLSRUSA-N 0 0 457.412 4.921 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571474 1067354707 /nfs/dbraw/zinc/35/47/07/1067354707.db2.gz BDZITCUMOLLVOE-UKRRQHHQSA-N 0 0 458.550 4.588 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001459570459 1067354782 /nfs/dbraw/zinc/35/47/82/1067354782.db2.gz MYRXZJASGXSKQS-QHCPKHFHSA-N 0 0 452.457 4.927 20 0 JJADRN Cc1ccc(I)cc1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC001459572336 1067354862 /nfs/dbraw/zinc/35/48/62/1067354862.db2.gz UQXJRTDCFCIOPV-JKSUJKDBSA-N 0 0 456.121 4.648 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001459573527 1067355214 /nfs/dbraw/zinc/35/52/14/1067355214.db2.gz TUYLNPWSIRHYLL-NRFANRHFSA-N 0 0 453.539 4.512 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001459574318 1067355314 /nfs/dbraw/zinc/35/53/14/1067355314.db2.gz ZOHYXNFLEMKGAM-WAYWQWQTSA-N 0 0 450.507 4.979 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)ccc21 ZINC001459576728 1067355452 /nfs/dbraw/zinc/35/54/52/1067355452.db2.gz HZZNMXPGGUDLHB-VXKWHMMOSA-N 0 0 451.542 4.981 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)c(=O)oc2c1 ZINC001459579828 1067356082 /nfs/dbraw/zinc/35/60/82/1067356082.db2.gz BGISZMCXXCBYKE-FXAWDEMLSA-N 0 0 455.352 4.688 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cnn(-c2ccccc2OC)c1C ZINC001459576538 1067356098 /nfs/dbraw/zinc/35/60/98/1067356098.db2.gz LNROXTHOWWFROU-KRWDZBQOSA-N 0 0 454.368 4.929 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)s1 ZINC001459582457 1067356787 /nfs/dbraw/zinc/35/67/87/1067356787.db2.gz IEJBJOOZGSNEFH-UHFFFAOYSA-N 0 0 456.593 4.902 20 0 JJADRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c(Sc2ccccc2)n1 ZINC001459587371 1067357862 /nfs/dbraw/zinc/35/78/62/1067357862.db2.gz NWWCTBYVTNJHJD-UHFFFAOYSA-N 0 0 453.995 4.961 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)cn2)C[C@@H](C)O1 ZINC001459588084 1067358179 /nfs/dbraw/zinc/35/81/79/1067358179.db2.gz AQEPPSGBEVVIGK-QZTJIDSGSA-N 0 0 454.958 4.587 20 0 JJADRN Cc1ccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1C(=O)N(C)C(C)C ZINC001459595260 1067359809 /nfs/dbraw/zinc/35/98/09/1067359809.db2.gz JJILVPSPLBVVCU-HFZDXXHNSA-N 0 0 457.615 4.984 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN2CCC[C@@H]2c2ccccn2)c(Br)c1 ZINC001459609233 1067362278 /nfs/dbraw/zinc/36/22/78/1067362278.db2.gz LOOSMBMIRBAODB-MRXNPFEDSA-N 0 0 453.178 4.691 20 0 JJADRN CC(C)(C)c1cc(C(=O)O[C@H]2CC(C)(C)Oc3ccc(Br)cc32)nc2ncnn21 ZINC001459612171 1067363435 /nfs/dbraw/zinc/36/34/35/1067363435.db2.gz ZEKJAEXGCRAXLO-INIZCTEOSA-N 0 0 459.344 4.644 20 0 JJADRN Cc1ccc(N2CCN(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@H](C)C2)cc1C ZINC001459612011 1067363801 /nfs/dbraw/zinc/36/38/01/1067363801.db2.gz VEDPZEQPIVHEID-JOCHJYFZSA-N 0 0 459.638 4.936 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)C(F)(F)F ZINC001459615866 1067364809 /nfs/dbraw/zinc/36/48/09/1067364809.db2.gz MKNUMBRRCFFYBS-MRUHUIDDSA-N 0 0 450.501 4.794 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC001459615536 1067364909 /nfs/dbraw/zinc/36/49/09/1067364909.db2.gz JYRVWZCDVIRKRF-ZDUSSCGKSA-N 0 0 453.944 4.548 20 0 JJADRN CN(CC(=O)NCCN1CCc2ccccc21)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001459619627 1067366030 /nfs/dbraw/zinc/36/60/30/1067366030.db2.gz FQKCDMGTUKAQSJ-SANMLTNESA-N 0 0 451.973 4.679 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC001459624231 1067367324 /nfs/dbraw/zinc/36/73/24/1067367324.db2.gz ADXMOUQWCKSAKG-HSZRJFAPSA-N 0 0 453.970 4.609 20 0 JJADRN CCN(C[C@@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459627346 1067368022 /nfs/dbraw/zinc/36/80/22/1067368022.db2.gz CDKZWHFZWHTZJN-SFHVURJKSA-N 0 0 454.562 4.842 20 0 JJADRN COc1ccc(Cl)cc1CN1CCC(Oc2ccccc2I)CC1 ZINC001459629971 1067368578 /nfs/dbraw/zinc/36/85/78/1067368578.db2.gz SNOBPWFCNHZHEI-UHFFFAOYSA-N 0 0 457.739 4.997 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)CCO1 ZINC001459635545 1067369347 /nfs/dbraw/zinc/36/93/47/1067369347.db2.gz OGVVDCCLZNXDPP-VQTJNVASSA-N 0 0 450.348 4.720 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)sc1Cc1ccc(F)cc1F ZINC001459639011 1067370202 /nfs/dbraw/zinc/37/02/02/1067370202.db2.gz QYOGKWNHPJHPGZ-QGZVFWFLSA-N 0 0 455.530 4.929 20 0 JJADRN COc1ccc([C@@H](CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)NC(C)=O)cc1 ZINC001459639684 1067370396 /nfs/dbraw/zinc/37/03/96/1067370396.db2.gz UJLQTKZMZHNPCO-HXUWFJFHSA-N 0 0 459.518 4.535 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643803 1067370738 /nfs/dbraw/zinc/37/07/38/1067370738.db2.gz UNNPWGOLZHSGHK-SJORKVTESA-N 0 0 455.624 4.947 20 0 JJADRN COC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccc(Cl)cc1 ZINC001459645563 1067371038 /nfs/dbraw/zinc/37/10/38/1067371038.db2.gz BBEHNZYOCRVARY-HYBUGGRVSA-N 0 0 450.966 4.849 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001459650503 1067371746 /nfs/dbraw/zinc/37/17/46/1067371746.db2.gz PBCHOCGQNDRYFL-CQSZACIVSA-N 0 0 458.382 4.780 20 0 JJADRN O=C(Nc1ccccc1)c1nnc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)s1 ZINC001459650747 1067371844 /nfs/dbraw/zinc/37/18/44/1067371844.db2.gz PMGIVQATBLMKBU-LJQANCHMSA-N 0 0 450.589 4.588 20 0 JJADRN COCCOCc1ccc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)cc1 ZINC001459650796 1067371895 /nfs/dbraw/zinc/37/18/95/1067371895.db2.gz PYKPGBQYCUDULZ-UHFFFAOYSA-N 0 0 450.482 4.875 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2cccc(Cl)c2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC001459656380 1067372939 /nfs/dbraw/zinc/37/29/39/1067372939.db2.gz NSFZUECBHRGDTR-BTYIYWSLSA-N 0 0 458.407 4.751 20 0 JJADRN Cc1ccc([C@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459655824 1067372948 /nfs/dbraw/zinc/37/29/48/1067372948.db2.gz MAVCSBSXOVWBKA-ROVSBXNYSA-N 0 0 459.917 4.885 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)C1 ZINC001546110811 1067373868 /nfs/dbraw/zinc/37/38/68/1067373868.db2.gz OFQYIWBXZXVMCB-IBVKSMDESA-N 0 0 491.076 4.808 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2nc(C(F)(F)F)cs2)cs1 ZINC001459659722 1067374088 /nfs/dbraw/zinc/37/40/88/1067374088.db2.gz YVPFZVQOBXBJGB-UHFFFAOYSA-N 0 0 452.527 4.615 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001459663439 1067375360 /nfs/dbraw/zinc/37/53/60/1067375360.db2.gz VOOQRNQDZIVHIP-SCLBCKFNSA-N 0 0 458.805 4.624 20 0 JJADRN C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001459671688 1067378806 /nfs/dbraw/zinc/37/88/06/1067378806.db2.gz TVZUANPGVZHEHL-HNAYVOBHSA-N 0 0 456.414 4.598 20 0 JJADRN CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccc(Cl)c1 ZINC001459680868 1067381783 /nfs/dbraw/zinc/38/17/83/1067381783.db2.gz GBWYLXSGPAAMCN-UHFFFAOYSA-N 0 0 457.983 4.630 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001459680721 1067381828 /nfs/dbraw/zinc/38/18/28/1067381828.db2.gz JOUZZCVQNXFOGO-QGZVFWFLSA-N 0 0 450.398 4.951 20 0 JJADRN O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001459682729 1067382103 /nfs/dbraw/zinc/38/21/03/1067382103.db2.gz JPVJBXUDUQIVJX-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN Cc1ccc(NC(=O)Cc2noc3ccc(Br)cc32)cc1C(=O)N1CCCCC1 ZINC001459684359 1067382568 /nfs/dbraw/zinc/38/25/68/1067382568.db2.gz BVIOXDZHYYEDQN-UHFFFAOYSA-N 0 0 456.340 4.706 20 0 JJADRN Cc1ccc(CN(CC(=O)Nc2ccc(OC(F)F)cc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001459696002 1067386904 /nfs/dbraw/zinc/38/69/04/1067386904.db2.gz HZKWXKUFSJLZFH-UHFFFAOYSA-N 0 0 452.461 4.824 20 0 JJADRN CCCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC001459696115 1067386963 /nfs/dbraw/zinc/38/69/63/1067386963.db2.gz QELGCPADJWETQH-MRXNPFEDSA-N 0 0 457.937 4.556 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CCCN(C(C)=O)c3ccccc32)cc1 ZINC001459699655 1067387915 /nfs/dbraw/zinc/38/79/15/1067387915.db2.gz SSKKTSPPBYOBKT-NRFANRHFSA-N 0 0 453.583 4.567 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)cc2)c1C ZINC001459700528 1067388163 /nfs/dbraw/zinc/38/81/63/1067388163.db2.gz WYNDTKPSYJYNJY-DVECYGJZSA-N 0 0 459.590 4.921 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701833 1067388603 /nfs/dbraw/zinc/38/86/03/1067388603.db2.gz RXPDHXFJXJAEJV-OAHLLOKOSA-N 0 0 454.315 4.605 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001459705480 1067389072 /nfs/dbraw/zinc/38/90/72/1067389072.db2.gz FSRMMCCWWJYCHO-NRFANRHFSA-N 0 0 459.974 4.635 20 0 JJADRN C[C@@H]1CSc2ccccc2N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459706441 1067389204 /nfs/dbraw/zinc/38/92/04/1067389204.db2.gz VJMGRAXIDDJEGY-MRXNPFEDSA-N 0 0 456.564 4.598 20 0 JJADRN C[C@](NCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC001459705687 1067389280 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PQLZXNOSBUPDLW-QEJZJMRPSA-N 0 0 452.295 4.734 20 0 JJADRN O=C(c1ccccc1OCc1ccccc1Br)N1CC[C@@H](Oc2ccncc2)C1 ZINC001459713525 1067392463 /nfs/dbraw/zinc/39/24/63/1067392463.db2.gz NOHRMEWKAMJEBG-LJQANCHMSA-N 0 0 453.336 4.717 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)CCCc1ccc(F)c(F)c1)c1ccc(Br)cc1C ZINC001459714960 1067393352 /nfs/dbraw/zinc/39/33/52/1067393352.db2.gz ZBNDWBBJAUOCGG-AWEZNQCLSA-N 0 0 454.311 4.953 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC001459716169 1067393599 /nfs/dbraw/zinc/39/35/99/1067393599.db2.gz KFCKHYZERZXXGQ-INIZCTEOSA-N 0 0 458.990 4.747 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716590 1067394071 /nfs/dbraw/zinc/39/40/71/1067394071.db2.gz CSUXSIVFPWTHLU-APWZRJJASA-N 0 0 459.612 4.722 20 0 JJADRN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001459720626 1067395474 /nfs/dbraw/zinc/39/54/74/1067395474.db2.gz YGHINVADCOHCDJ-AWEZNQCLSA-N 0 0 452.427 4.912 20 0 JJADRN 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AFKDOYAGOHTXJO-OAQYLSRUSA-N 0 0 451.677 4.921 20 0 JJADRN O=C(OCc1ccc(OC(F)(F)F)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001459774393 1067416147 /nfs/dbraw/zinc/41/61/47/1067416147.db2.gz GXDSDEIQEHXONB-INIZCTEOSA-N 0 0 453.844 4.824 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)OCc2ccc(OC(F)(F)F)cc2Cl)cc1 ZINC001459775652 1067417001 /nfs/dbraw/zinc/41/70/01/1067417001.db2.gz KSKXPGVNTOREEX-UHFFFAOYSA-N 0 0 457.861 4.963 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)OCc1ccc(OC(F)(F)F)cc1Cl ZINC001459776157 1067417153 /nfs/dbraw/zinc/41/71/53/1067417153.db2.gz LXYDAGYWCYRUDP-UHFFFAOYSA-N 0 0 455.816 4.748 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccc3F)co2)[C@@H]1c1ccc(OC)cc1 ZINC001459779925 1067418254 /nfs/dbraw/zinc/41/82/54/1067418254.db2.gz NBVBYCPNHXKVQC-XXBNENTESA-N 0 0 451.498 4.818 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c2ccccc21 ZINC001459781016 1067418282 /nfs/dbraw/zinc/41/82/82/1067418282.db2.gz ZDVBDNRUSHQZBU-MRXNPFEDSA-N 0 0 454.935 4.879 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCCc3cc(Br)ccc32)n1 ZINC001459781480 1067418719 /nfs/dbraw/zinc/41/87/19/1067418719.db2.gz ANHKGJVIAFWKSP-UHFFFAOYSA-N 0 0 451.365 4.545 20 0 JJADRN COC(=O)/C=C/c1ccc(OC)c(OC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c1 ZINC001459781958 1067418856 /nfs/dbraw/zinc/41/88/56/1067418856.db2.gz YMRLRKVABNVVAB-NEXMIYJRSA-N 0 0 451.288 4.882 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CSc4ccc(Br)cc43)CC2=O)cc1 ZINC001459783144 1067419984 /nfs/dbraw/zinc/41/99/84/1067419984.db2.gz XIWCTNIYWVXMIV-HNAYVOBHSA-N 0 0 459.409 4.718 20 0 JJADRN CCc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cnn1-c1ccc(Cl)cc1 ZINC001459783770 1067420608 /nfs/dbraw/zinc/42/06/08/1067420608.db2.gz SWCOEXAOJPZOTM-UHFFFAOYSA-N 0 0 451.880 4.821 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC001459784129 1067420908 /nfs/dbraw/zinc/42/09/08/1067420908.db2.gz GSLTUFBQYOUHGS-IBGZPJMESA-N 0 0 456.384 4.711 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)[C@H](CC(N)=O)c3ccccc3)cc12 ZINC001459784761 1067421063 /nfs/dbraw/zinc/42/10/63/1067421063.db2.gz IZKSJHRPUBEDSA-LJQANCHMSA-N 0 0 452.967 4.738 20 0 JJADRN O=C(CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787879 1067422089 /nfs/dbraw/zinc/42/20/89/1067422089.db2.gz MVDWSXOHKQFZMB-MRXNPFEDSA-N 0 0 452.546 4.970 20 0 JJADRN O=C(NCc1ccc(-c2ccco2)cc1F)c1cc(Br)cnc1Br ZINC001459786522 1067422166 /nfs/dbraw/zinc/42/21/66/1067422166.db2.gz IOKWFUKUHLLSCO-UHFFFAOYSA-N 0 0 454.093 4.936 20 0 JJADRN CCCN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c2cc(F)ccc21 ZINC001459787171 1067422175 /nfs/dbraw/zinc/42/21/75/1067422175.db2.gz BGQIIGGUTDUWGF-QFIPXVFZSA-N 0 0 457.546 4.663 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CCOC2(CCCCC2)C1 ZINC001459788206 1067422743 /nfs/dbraw/zinc/42/27/43/1067422743.db2.gz QJGJELCMILAPJX-UHFFFAOYSA-N 0 0 455.395 4.744 20 0 JJADRN COc1ccc(Br)cc1CN(C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001459789081 1067422899 /nfs/dbraw/zinc/42/28/99/1067422899.db2.gz GJROIJMMAGCFSG-UHFFFAOYSA-N 0 0 456.171 4.977 20 0 JJADRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ncoc1-c1ccc(F)cc1 ZINC001459790710 1067423976 /nfs/dbraw/zinc/42/39/76/1067423976.db2.gz AFSNJMQBYKYOTI-UHFFFAOYSA-N 0 0 458.287 4.732 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC001459791283 1067424435 /nfs/dbraw/zinc/42/44/35/1067424435.db2.gz NUUYYGKYEIIERV-SFHVURJKSA-N 0 0 452.942 4.685 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)Cc2ccc(F)cc2Br)cc1 ZINC001459791224 1067424466 /nfs/dbraw/zinc/42/44/66/1067424466.db2.gz JPFLFZYAULPNJZ-CQSZACIVSA-N 0 0 453.377 4.615 20 0 JJADRN CC(C)C[C@](C)(NC(=O)c1ccc(Cn2ccccc2=O)o1)c1cccc(Br)c1 ZINC001459792293 1067424833 /nfs/dbraw/zinc/42/48/33/1067424833.db2.gz MEZSDHDZADGJQC-QHCPKHFHSA-N 0 0 457.368 4.943 20 0 JJADRN CCc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cnn1-c1ccccc1C ZINC001459792587 1067425593 /nfs/dbraw/zinc/42/55/93/1067425593.db2.gz YJRLWLZFZVJJFU-UHFFFAOYSA-N 0 0 452.505 4.512 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459792538 1067425599 /nfs/dbraw/zinc/42/55/99/1067425599.db2.gz UNCBHGALRCVNAL-HRAATJIYSA-N 0 0 455.368 4.584 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2CC[C@H]3[C@@H](C2)C3(F)F)sc(Cl)c1-c1ccccc1 ZINC001459794009 1067425986 /nfs/dbraw/zinc/42/59/86/1067425986.db2.gz CMPDRCFGLCYYNP-UONOGXRCSA-N 0 0 454.926 4.771 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459793566 1067426016 /nfs/dbraw/zinc/42/60/16/1067426016.db2.gz XGKOUDBBKUXBFI-CYBMUJFWSA-N 0 0 451.748 4.745 20 0 JJADRN COc1cc(CN(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794469 1067426634 /nfs/dbraw/zinc/42/66/34/1067426634.db2.gz BAHSPRLCOCUMIK-XMMPIXPASA-N 0 0 453.380 4.689 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001459794398 1067426693 /nfs/dbraw/zinc/42/66/93/1067426693.db2.gz LTYVPFHZNITJHY-MRXNPFEDSA-N 0 0 457.452 4.753 20 0 JJADRN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001459796825 1067427660 /nfs/dbraw/zinc/42/76/60/1067427660.db2.gz LLSZQYQQVPIEDT-ZDUSSCGKSA-N 0 0 450.885 4.565 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459798030 1067428240 /nfs/dbraw/zinc/42/82/40/1067428240.db2.gz RWHOGYUKCUOBAZ-RBUKOAKNSA-N 0 0 459.556 4.972 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)Cc2cc(F)ccc2Br)cc1 ZINC001459797091 1067428254 /nfs/dbraw/zinc/42/82/54/1067428254.db2.gz JYABNHZDQVDNQV-UHFFFAOYSA-N 0 0 457.343 4.806 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001459799577 1067429134 /nfs/dbraw/zinc/42/91/34/1067429134.db2.gz XTGKEABCCBWTRN-MRXNPFEDSA-N 0 0 450.808 4.556 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001459799632 1067429244 /nfs/dbraw/zinc/42/92/44/1067429244.db2.gz ZSOIQZRRNFMGQD-FQEVSTJZSA-N 0 0 450.391 4.635 20 0 JJADRN CC(C)(NC(=O)COc1ccc(F)cc1Br)c1ccc(OC(F)(F)F)cc1 ZINC001459800967 1067429654 /nfs/dbraw/zinc/42/96/54/1067429654.db2.gz IKTNGUCEVXFVNG-UHFFFAOYSA-N 0 0 450.226 4.917 20 0 JJADRN Cc1sc(=O)n(CC(=O)Oc2c(Br)ccc(C)c2F)c1-c1ccc(F)cc1 ZINC001459801194 1067429675 /nfs/dbraw/zinc/42/96/75/1067429675.db2.gz NEHPDYUWCQIWDJ-UHFFFAOYSA-N 0 0 454.292 4.840 20 0 JJADRN COC[C@@H](OC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1nccs1 ZINC001459805942 1067431507 /nfs/dbraw/zinc/43/15/07/1067431507.db2.gz XPQVNWZYUVIUDX-CQSZACIVSA-N 0 0 455.355 4.582 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807063 1067431619 /nfs/dbraw/zinc/43/16/19/1067431619.db2.gz MWJJOQHLPLUCNC-PZFZOXMESA-N 0 0 457.398 4.833 20 0 JJADRN CCC(C)(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001459807794 1067432248 /nfs/dbraw/zinc/43/22/48/1067432248.db2.gz VXVZPKIOWRQBOG-UHFFFAOYSA-N 0 0 450.551 4.692 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N(C)c3ncccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001459808979 1067432292 /nfs/dbraw/zinc/43/22/92/1067432292.db2.gz BGEGAFKONRGYRT-ZCYQVOJMSA-N 0 0 459.546 4.555 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC=CC1 ZINC001459810421 1067432794 /nfs/dbraw/zinc/43/27/94/1067432794.db2.gz JAYVVDHVPSDUIA-UHFFFAOYSA-N 0 0 450.358 4.584 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)Cc1cc(Br)cn1C ZINC001459811030 1067433318 /nfs/dbraw/zinc/43/33/18/1067433318.db2.gz XAHUUEHICNDTTM-SNVBAGLBSA-N 0 0 452.702 4.919 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001459812678 1067434449 /nfs/dbraw/zinc/43/44/49/1067434449.db2.gz RWLYORYJKUUECT-FQEVSTJZSA-N 0 0 455.396 4.745 20 0 JJADRN COc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(Br)c1 ZINC001459818160 1067437264 /nfs/dbraw/zinc/43/72/64/1067437264.db2.gz IJUFCIPEXANYQM-ZUOKHONESA-N 0 0 453.327 4.578 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820613 1067438316 /nfs/dbraw/zinc/43/83/16/1067438316.db2.gz SVOFXPBJHVGOEW-IBVKSMDESA-N 0 0 457.574 4.647 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1 ZINC001459822938 1067439628 /nfs/dbraw/zinc/43/96/28/1067439628.db2.gz YBZKVPXIHYIUAE-UHFFFAOYSA-N 0 0 456.477 4.519 20 0 JJADRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001459822961 1067439655 /nfs/dbraw/zinc/43/96/55/1067439655.db2.gz YZBUHBBEJDDTKR-FPOVZHCZSA-N 0 0 456.340 4.793 20 0 JJADRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001459822962 1067439666 /nfs/dbraw/zinc/43/96/66/1067439666.db2.gz YZBUHBBEJDDTKR-PZJWPPBQSA-N 0 0 456.340 4.793 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001459823871 1067440174 /nfs/dbraw/zinc/44/01/74/1067440174.db2.gz GZUHIKULYSZWLZ-UHFFFAOYSA-N 0 0 450.283 4.926 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC001459827526 1067441653 /nfs/dbraw/zinc/44/16/53/1067441653.db2.gz RDHGALYDYVMCKT-IBGZPJMESA-N 0 0 459.315 4.585 20 0 JJADRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001459828074 1067442186 /nfs/dbraw/zinc/44/21/86/1067442186.db2.gz KYSJHNLRKFIZIN-OAHLLOKOSA-N 0 0 457.739 4.583 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459828139 1067442195 /nfs/dbraw/zinc/44/21/95/1067442195.db2.gz LKISMJZEIATHHK-OAHLLOKOSA-N 0 0 451.379 4.823 20 0 JJADRN C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001459829449 1067442628 /nfs/dbraw/zinc/44/26/28/1067442628.db2.gz NJBYARISIXRJKP-JQAFLVLXSA-N 0 0 453.404 4.957 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2cnc(C)cn2)CCC3)c(Br)c1 ZINC001459829676 1067443325 /nfs/dbraw/zinc/44/33/25/1067443325.db2.gz QBQZGDHHLBGCRN-UHFFFAOYSA-N 0 0 456.365 4.889 20 0 JJADRN Cc1ccc(/C=C\C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cn1 ZINC001459834504 1067445384 /nfs/dbraw/zinc/44/53/84/1067445384.db2.gz SMWOSTKDRNYMSK-HJWRWDBZSA-N 0 0 453.340 4.622 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Cc2cc(Br)ccc2Cl)n1 ZINC001459834526 1067445416 /nfs/dbraw/zinc/44/54/16/1067445416.db2.gz IEDASZKFTCSXRN-HNNXBMFYSA-N 0 0 457.777 4.642 20 0 JJADRN Cc1cncc(CCC(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1 ZINC001459833695 1067445445 /nfs/dbraw/zinc/44/54/45/1067445445.db2.gz NZOMGDBVVKFTIP-UHFFFAOYSA-N 0 0 455.356 4.541 20 0 JJADRN Cn1ncc(I)c1CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001459834958 1067445834 /nfs/dbraw/zinc/44/58/34/1067445834.db2.gz IWXOCAMPCQFAHZ-GOSISDBHSA-N 0 0 451.739 4.752 20 0 JJADRN Cc1cccnc1/C=C\C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001459835564 1067446488 /nfs/dbraw/zinc/44/64/88/1067446488.db2.gz WURXNQWPMPSZEW-HJWRWDBZSA-N 0 0 453.340 4.622 20 0 JJADRN CCn1c(CNC(=O)c2cccc(Br)c2C)nc2cc(Br)ccc21 ZINC001459842490 1067449529 /nfs/dbraw/zinc/44/95/29/1067449529.db2.gz UCZWFHFUPSMHDJ-UHFFFAOYSA-N 0 0 451.162 4.820 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001459842974 1067450153 /nfs/dbraw/zinc/45/01/53/1067450153.db2.gz KZIFVQVXDFUNMM-GOSISDBHSA-N 0 0 457.398 4.931 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001546112200 1067450180 /nfs/dbraw/zinc/45/01/80/1067450180.db2.gz HUDHTTMUIOHQOT-FQEVSTJZSA-N 0 0 476.712 4.720 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NCC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)cc1 ZINC001459848385 1067453630 /nfs/dbraw/zinc/45/36/30/1067453630.db2.gz FLIACYWAYGBPPB-NRFANRHFSA-N 0 0 454.574 4.627 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001459848094 1067453661 /nfs/dbraw/zinc/45/36/61/1067453661.db2.gz AMCFECQVQNZJKM-ZDXQCDESSA-N 0 0 452.595 4.974 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H](NCc2nc(C(C)(C)C)cs2)c2ccccc2)c(C)c1 ZINC001459853862 1067458295 /nfs/dbraw/zinc/45/82/95/1067458295.db2.gz UBWPCOICRMPPQY-HXUWFJFHSA-N 0 0 457.665 4.867 20 0 JJADRN C[S@@](=O)C[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855780 1067459284 /nfs/dbraw/zinc/45/92/84/1067459284.db2.gz ZIXUCAWPWANRKZ-YVGXBJCXSA-N 0 0 458.008 4.927 20 0 JJADRN C[C@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC001459857701 1067459973 /nfs/dbraw/zinc/45/99/73/1067459973.db2.gz SLQGMQOWFQSNNP-AWEZNQCLSA-N 0 0 450.438 4.658 20 0 JJADRN CO[C@]1(C)CCCN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459860075 1067460876 /nfs/dbraw/zinc/46/08/76/1067460876.db2.gz HHAXTGAZWBWXLB-HSZRJFAPSA-N 0 0 457.621 4.715 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCCN(c2ccccc2F)CC1 ZINC001459861397 1067461817 /nfs/dbraw/zinc/46/18/17/1067461817.db2.gz DKLHXYJWYAQTRX-UHFFFAOYSA-N 0 0 454.977 4.871 20 0 JJADRN Cc1cc([C@@H](OC(=O)[C@@H](C)N2Cc3ccccc3C2=O)C(F)(F)F)ccc1Br ZINC001459861568 1067461846 /nfs/dbraw/zinc/46/18/46/1067461846.db2.gz BMFNLFHVSALWAJ-SJKOYZFVSA-N 0 0 456.258 4.949 20 0 JJADRN Cc1cc([C@@H](OC(=O)Cc2cnn(-c3ccccc3)n2)C(F)(F)F)ccc1Br ZINC001459861665 1067461918 /nfs/dbraw/zinc/46/19/18/1067461918.db2.gz BOJIPNILIXSCJX-GOSISDBHSA-N 0 0 454.246 4.728 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863128 1067462411 /nfs/dbraw/zinc/46/24/11/1067462411.db2.gz PACDZLHSASNJGW-ZIFCJYIRSA-N 0 0 458.628 4.681 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CCCC1 ZINC001459868610 1067465883 /nfs/dbraw/zinc/46/58/83/1067465883.db2.gz JRJGGTLZZIKMRV-LJQANCHMSA-N 0 0 456.391 4.587 20 0 JJADRN COc1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)c(I)c1 ZINC001459869037 1067466361 /nfs/dbraw/zinc/46/63/61/1067466361.db2.gz JMYIZLDXNWCTHQ-UHFFFAOYSA-N 0 0 452.075 4.624 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001546112374 1067466905 /nfs/dbraw/zinc/46/69/05/1067466905.db2.gz OYCJGUMQVGNLLH-QGZVFWFLSA-N 0 0 453.509 4.531 20 0 JJADRN COc1ccc(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)c(I)c1 ZINC001459871095 1067467420 /nfs/dbraw/zinc/46/74/20/1067467420.db2.gz LMCHLYALOPKXKH-UHFFFAOYSA-N 0 0 455.292 4.693 20 0 JJADRN Cc1nc(N2CCN(CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)sc1C ZINC001459873401 1067468392 /nfs/dbraw/zinc/46/83/92/1067468392.db2.gz AXKYCWOUYZRRGQ-LJQANCHMSA-N 0 0 453.439 4.552 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CSCCS2)C1 ZINC001546112416 1067469794 /nfs/dbraw/zinc/46/97/94/1067469794.db2.gz QNYGYSBRRVMBRQ-FQEVSTJZSA-N 0 0 462.685 4.731 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001546112428 1067469907 /nfs/dbraw/zinc/46/99/07/1067469907.db2.gz QUKGFTORCNDYDM-UHFFFAOYSA-N 0 0 491.562 4.541 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c(Cl)c1 ZINC001459880493 1067470767 /nfs/dbraw/zinc/47/07/67/1067470767.db2.gz LWCMRBKAQNITCA-UHFFFAOYSA-N 0 0 453.955 4.773 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)c2)c(C)c1 ZINC001459880503 1067471336 /nfs/dbraw/zinc/47/13/36/1067471336.db2.gz USKWRCSSSOZENC-TXBYWVTISA-N 0 0 453.583 4.829 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cs2)o1 ZINC001459882616 1067471729 /nfs/dbraw/zinc/47/17/29/1067471729.db2.gz IIAHLERXQBRCRY-NRFANRHFSA-N 0 0 450.482 4.791 20 0 JJADRN O=C(Nc1cc(C(F)F)ccc1Cl)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001459883712 1067472317 /nfs/dbraw/zinc/47/23/17/1067472317.db2.gz NBYBWPGURLTIFO-JLHYYAGUSA-N 0 0 454.926 4.929 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001546112492 1067472711 /nfs/dbraw/zinc/47/27/11/1067472711.db2.gz UDRKRMHGJXVEGT-BURNTYAHSA-N 0 0 475.678 4.616 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(N(C)C)cc2)C1 ZINC001546112519 1067473088 /nfs/dbraw/zinc/47/30/88/1067473088.db2.gz UWMBZAJGJWPDER-UHFFFAOYSA-N 0 0 480.682 4.595 20 0 JJADRN Cc1cc(NC(=O)CN[C@H](COCc2ccccc2)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001459885506 1067473127 /nfs/dbraw/zinc/47/31/27/1067473127.db2.gz OTHYHBBZFQUCQM-RUZDIDTESA-N 0 0 458.537 4.806 20 0 JJADRN CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889803 1067474709 /nfs/dbraw/zinc/47/47/09/1067474709.db2.gz IJMPZJYUMAUXCW-OXQOHEQNSA-N 0 0 459.612 4.722 20 0 JJADRN O=C(NC(C1CCC1)C1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001459890261 1067475314 /nfs/dbraw/zinc/47/53/14/1067475314.db2.gz MAHDGJKUMLSEIX-QGZVFWFLSA-N 0 0 451.380 4.525 20 0 JJADRN Cc1ccnc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001459891418 1067475745 /nfs/dbraw/zinc/47/57/45/1067475745.db2.gz SWHUQEIYBQMFOD-UHFFFAOYSA-N 0 0 453.955 4.982 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001546112548 1067475766 /nfs/dbraw/zinc/47/57/66/1067475766.db2.gz VWPDQHXRHLUIJU-GOHWNWGWSA-N 0 0 475.678 4.918 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)c1nn(-c2ccccc2)cc1Br ZINC001459893263 1067476716 /nfs/dbraw/zinc/47/67/16/1067476716.db2.gz HPPMHGGJNBRWAQ-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)N(CC(=O)N(C)c1nc2ccccc2s1)Cc1nnc(-c2ccccc2Cl)o1 ZINC001459895065 1067477250 /nfs/dbraw/zinc/47/72/50/1067477250.db2.gz GWDOWVAPNFKCDV-UHFFFAOYSA-N 0 0 455.971 4.873 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN[C@@H](C)c3nc(-c4ccc(CC)cc4)no3)sc2c1 ZINC001459908457 1067484623 /nfs/dbraw/zinc/48/46/23/1067484623.db2.gz BPPAANMBNFSASW-AWEZNQCLSA-N 0 0 451.552 4.597 20 0 JJADRN C[C@@H](NCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1nc(C(C)(C)C)no1 ZINC001459911938 1067486891 /nfs/dbraw/zinc/48/68/91/1067486891.db2.gz QQUBSJYKKFPVTR-MRXNPFEDSA-N 0 0 453.612 4.586 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001459913169 1067487894 /nfs/dbraw/zinc/48/78/94/1067487894.db2.gz LYTFBQHOZGXGCK-RBUKOAKNSA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001459913159 1067487904 /nfs/dbraw/zinc/48/79/04/1067487904.db2.gz LYTFBQHOZGXGCK-MOPGFXCFSA-N 0 0 455.640 4.612 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)C1 ZINC001459915923 1067488823 /nfs/dbraw/zinc/48/88/23/1067488823.db2.gz BVRJXYYUQOEPTH-HOCLYGCPSA-N 0 0 457.796 4.966 20 0 JJADRN Cc1c(Br)ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1F ZINC001459917711 1067489919 /nfs/dbraw/zinc/48/99/19/1067489919.db2.gz FXHZRNQISUYHNI-MRXNPFEDSA-N 0 0 455.368 4.760 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CN2CCC[C@H](C)c3ccccc32)c(C(=O)OCC)c1C ZINC001459918179 1067490337 /nfs/dbraw/zinc/49/03/37/1067490337.db2.gz HETHPOBEQJSNOZ-HNNXBMFYSA-N 0 0 458.580 4.752 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)cc1OC1CCCC1 ZINC001459917980 1067490450 /nfs/dbraw/zinc/49/04/50/1067490450.db2.gz GWGODGASITZNCJ-TZIWHRDSSA-N 0 0 458.599 4.880 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459918653 1067490699 /nfs/dbraw/zinc/49/06/99/1067490699.db2.gz INGCZLJUNWUACY-QGZVFWFLSA-N 0 0 458.933 4.690 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC001459919512 1067490849 /nfs/dbraw/zinc/49/08/49/1067490849.db2.gz KUDXOENUEMDBDJ-PKOBYXMFSA-N 0 0 459.587 4.736 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC001459920520 1067491241 /nfs/dbraw/zinc/49/12/41/1067491241.db2.gz FHCFWZKIRIGKIE-CHWSQXEVSA-N 0 0 451.350 4.735 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC001459920521 1067491316 /nfs/dbraw/zinc/49/13/16/1067491316.db2.gz FHCFWZKIRIGKIE-OLZOCXBDSA-N 0 0 451.350 4.735 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC001459921218 1067491710 /nfs/dbraw/zinc/49/17/10/1067491710.db2.gz NLKYWLYFPWUSTA-GOEBONIOSA-N 0 0 457.796 4.966 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459921020 1067491717 /nfs/dbraw/zinc/49/17/17/1067491717.db2.gz MXFWVYKLHYJFER-PKOBYXMFSA-N 0 0 458.990 4.697 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC001459921331 1067492310 /nfs/dbraw/zinc/49/23/10/1067492310.db2.gz NWCWZOQORRQOLV-OXJNMPFZSA-N 0 0 450.398 4.613 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC001459922345 1067492761 /nfs/dbraw/zinc/49/27/61/1067492761.db2.gz POQSHUMHLASWEI-ICSRJNTNSA-N 0 0 458.530 4.861 20 0 JJADRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001459921909 1067492804 /nfs/dbraw/zinc/49/28/04/1067492804.db2.gz SJQRKAUYTOYZHG-UHFFFAOYSA-N 0 0 454.372 4.971 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459923895 1067493385 /nfs/dbraw/zinc/49/33/85/1067493385.db2.gz KTJUQHFZOOQHBE-UKRRQHHQSA-N 0 0 456.867 4.940 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459924040 1067493396 /nfs/dbraw/zinc/49/33/96/1067493396.db2.gz SVFKLIMNKYGQSG-LJQANCHMSA-N 0 0 452.542 4.815 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459925079 1067493861 /nfs/dbraw/zinc/49/38/61/1067493861.db2.gz VEIKURXQYVPFSQ-YSIASYRMSA-N 0 0 455.603 4.574 20 0 JJADRN Cc1c(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)nnn1-c1cccc2cnccc21 ZINC001459925943 1067494396 /nfs/dbraw/zinc/49/43/96/1067494396.db2.gz QPHJQRIOLTULLU-OAHLLOKOSA-N 0 0 453.468 4.846 20 0 JJADRN FC(F)(F)c1nnc(N2CCCN(Cc3cc(Br)ccc3Cl)CC2)s1 ZINC001459928190 1067495449 /nfs/dbraw/zinc/49/54/49/1067495449.db2.gz AYJATOUPMGHWSH-UHFFFAOYSA-N 0 0 455.731 4.685 20 0 JJADRN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928386 1067495491 /nfs/dbraw/zinc/49/54/91/1067495491.db2.gz BPRSPMHNQLPMPN-PKOBYXMFSA-N 0 0 450.284 4.825 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@H](O)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl ZINC001459931299 1067496405 /nfs/dbraw/zinc/49/64/05/1067496405.db2.gz OJOGHGNRSLCUNO-INIZCTEOSA-N 0 0 454.798 4.723 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC001459932690 1067496899 /nfs/dbraw/zinc/49/68/99/1067496899.db2.gz DWCXRCITPTYPBU-LJQANCHMSA-N 0 0 457.592 4.544 20 0 JJADRN Cc1ccccc1C1=NO[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001459933431 1067497367 /nfs/dbraw/zinc/49/73/67/1067497367.db2.gz NPSPOWPHIPNPFX-FQEVSTJZSA-N 0 0 451.876 4.509 20 0 JJADRN O=C(Cc1cc(Cl)cc2c1OCC2)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459933592 1067497465 /nfs/dbraw/zinc/49/74/65/1067497465.db2.gz OGXWMCDSVCAHGF-UHFFFAOYSA-N 0 0 459.295 4.838 20 0 JJADRN Cn1cc([C@H](NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cn1 ZINC001459934280 1067498066 /nfs/dbraw/zinc/49/80/66/1067498066.db2.gz QSIZHBWDYXZYQS-LJQANCHMSA-N 0 0 456.390 4.775 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)N[C@@H](CO)c3ccccc3OC)cc2s1 ZINC001546112771 1067498110 /nfs/dbraw/zinc/49/81/10/1067498110.db2.gz DPVGPQQRXKXYHT-HNNXBMFYSA-N 0 0 455.561 4.582 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N([C@@H](C)c2ccccc2)C2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001459935843 1067498446 /nfs/dbraw/zinc/49/84/46/1067498446.db2.gz OILPNEZZRAPVOM-AMDXRBSFSA-N 0 0 450.579 4.945 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1 ZINC001459938357 1067499673 /nfs/dbraw/zinc/49/96/73/1067499673.db2.gz VFCCQFLBWCSTCH-LBPRGKRZSA-N 0 0 453.442 4.656 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)cc2)c(C)c1Cl ZINC001459939109 1067500157 /nfs/dbraw/zinc/50/01/57/1067500157.db2.gz HXNOKJGFVMPPTO-OAQYLSRUSA-N 0 0 458.990 4.760 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)c1cnn(-c2ccccc2)c1I)C1CC1 ZINC001459944735 1067501934 /nfs/dbraw/zinc/50/19/34/1067501934.db2.gz HXIHICPOLIQDIO-HNNXBMFYSA-N 0 0 457.315 4.843 20 0 JJADRN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)cc1F ZINC001459947879 1067503060 /nfs/dbraw/zinc/50/30/60/1067503060.db2.gz YAJCRZCKEQMNSH-UHFFFAOYSA-N 0 0 457.918 4.813 20 0 JJADRN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)ccc1OC(F)F ZINC001459948296 1067503140 /nfs/dbraw/zinc/50/31/40/1067503140.db2.gz BTEWTVGVBPFAIF-UHFFFAOYSA-N 0 0 456.268 4.830 20 0 JJADRN COc1ccc(-c2ocnc2C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 ZINC001459952623 1067504912 /nfs/dbraw/zinc/50/49/12/1067504912.db2.gz OUXVHGTUTAUHEE-UHFFFAOYSA-N 0 0 457.309 4.884 20 0 JJADRN C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953691 1067505435 /nfs/dbraw/zinc/50/54/35/1067505435.db2.gz XLRGYCYFFHBVPI-YMGMXPECSA-N 0 0 458.425 4.502 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)CC[C@@H]3c3ccccc3)CC2)c(C)c1 ZINC001459956305 1067506424 /nfs/dbraw/zinc/50/64/24/1067506424.db2.gz DJYAYFFHYVMSTQ-GBXCKJPGSA-N 0 0 454.636 4.704 20 0 JJADRN C[C@H]1CN(CCCOc2ccc(S(C)(=O)=O)cc2)c2ccccc2N1Cc1ccccc1 ZINC001459962113 1067508776 /nfs/dbraw/zinc/50/87/76/1067508776.db2.gz CTCPATLLMQORMR-NRFANRHFSA-N 0 0 450.604 4.774 20 0 JJADRN CC(C)(CNC(=O)c1ccc(OC(F)F)c(Br)c1)Oc1cc(F)cc(F)c1 ZINC001459971237 1067510746 /nfs/dbraw/zinc/51/07/46/1067510746.db2.gz ITTFDAHCZZWHFE-UHFFFAOYSA-N 0 0 450.226 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OC(F)F)cc1F ZINC001459972602 1067511180 /nfs/dbraw/zinc/51/11/80/1067511180.db2.gz AHVYVELIACFTGU-LJQANCHMSA-N 0 0 450.457 4.691 20 0 JJADRN COC(=O)[C@@](C)(NCc1cn2cc(Br)ccc2n1)c1ccc(Cl)c(Cl)c1 ZINC001459973021 1067511579 /nfs/dbraw/zinc/51/15/79/1067511579.db2.gz RKJXUXAIXQSKTH-SFHVURJKSA-N 0 0 457.155 4.582 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)CO1 ZINC001459973168 1067511464 /nfs/dbraw/zinc/51/14/64/1067511464.db2.gz HWGMODXORLCPDE-MOPGFXCFSA-N 0 0 455.517 4.971 20 0 JJADRN CCOC(=O)c1ccccc1NC(=O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001459973387 1067511533 /nfs/dbraw/zinc/51/15/33/1067511533.db2.gz YZJXKCUQZFRNSJ-IBGZPJMESA-N 0 0 452.498 4.611 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccnc(N2CCCCC2)n1 ZINC001459975481 1067512260 /nfs/dbraw/zinc/51/22/60/1067512260.db2.gz LSLFEAATWRHMSZ-KRWDZBQOSA-N 0 0 452.773 4.790 20 0 JJADRN Cn1nccc1C1=CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC001459976780 1067512915 /nfs/dbraw/zinc/51/29/15/1067512915.db2.gz OJYXWURWKCTCSA-UHFFFAOYSA-N 0 0 455.345 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cc1cccc(Br)c1 ZINC001459978643 1067513875 /nfs/dbraw/zinc/51/38/75/1067513875.db2.gz YGLPCOLDVGTNIY-HXUWFJFHSA-N 0 0 459.384 4.642 20 0 JJADRN CC[C@](NC(=O)CSc1cccc(Br)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459980354 1067514259 /nfs/dbraw/zinc/51/42/59/1067514259.db2.gz NGTWWMHQQXOZGP-LJQANCHMSA-N 0 0 456.789 4.789 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001459981671 1067515201 /nfs/dbraw/zinc/51/52/01/1067515201.db2.gz BFPWCNKMIJTELW-RBUKOAKNSA-N 0 0 458.274 4.544 20 0 JJADRN O=C(NCc1c(F)cccc1N1CCCC1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459984841 1067515690 /nfs/dbraw/zinc/51/56/90/1067515690.db2.gz GTGORNQDLGXDPO-QHCPKHFHSA-N 0 0 450.476 4.710 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(CC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001459985348 1067516028 /nfs/dbraw/zinc/51/60/28/1067516028.db2.gz PNICOZLQJCFVOV-UHFFFAOYSA-N 0 0 456.153 4.656 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2c(F)cccc2N2CCCC2)c2ccccc2)cc1 ZINC001459987293 1067516283 /nfs/dbraw/zinc/51/62/83/1067516283.db2.gz QFKQTOJWRTUOTP-VWLOTQADSA-N 0 0 459.565 4.912 20 0 JJADRN CNS(=O)(=O)c1cc(NC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)ccc1F ZINC001459986835 1067516374 /nfs/dbraw/zinc/51/63/74/1067516374.db2.gz BVRRVBDXJNXMBU-QHCPKHFHSA-N 0 0 456.539 4.616 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987663 1067516467 /nfs/dbraw/zinc/51/64/67/1067516467.db2.gz UBNSLKOAYAVJOX-CVDCTZTESA-N 0 0 456.373 4.999 20 0 JJADRN CCOC(=O)c1cc(NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c(F)cc1C ZINC001459992138 1067518358 /nfs/dbraw/zinc/51/83/58/1067518358.db2.gz PRDWUABSQCCDPO-UHFFFAOYSA-N 0 0 457.420 4.832 20 0 JJADRN COCC1(CNC(=O)c2sc3ccc(F)cc3c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459993108 1067518516 /nfs/dbraw/zinc/51/85/16/1067518516.db2.gz ZBQOBGBUTTWLCH-UHFFFAOYSA-N 0 0 450.576 4.742 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CCC(O)(Cc4cccc(F)c4)CC3)n2)cc1C ZINC001459994671 1067518802 /nfs/dbraw/zinc/51/88/02/1067518802.db2.gz LBXSTKNNDZKJJW-UHFFFAOYSA-N 0 0 453.583 4.574 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2nc3c(s2)CSCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459994839 1067519104 /nfs/dbraw/zinc/51/91/04/1067519104.db2.gz RWNNIRZLRIGQGH-XIKOKIGWSA-N 0 0 453.992 4.662 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001459995217 1067519133 /nfs/dbraw/zinc/51/91/33/1067519133.db2.gz WOJAEQCTNZSARE-UHFFFAOYSA-N 0 0 458.530 4.707 20 0 JJADRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001459996379 1067519445 /nfs/dbraw/zinc/51/94/45/1067519445.db2.gz KYZIZMRPYVSJKO-JOCHJYFZSA-N 0 0 455.530 4.599 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001459996040 1067519568 /nfs/dbraw/zinc/51/95/68/1067519568.db2.gz ROJJWYGLLXGCMF-LJQANCHMSA-N 0 0 453.526 4.836 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001459997089 1067519793 /nfs/dbraw/zinc/51/97/93/1067519793.db2.gz NWXVUTXWMJXKER-HNNXBMFYSA-N 0 0 456.033 4.975 20 0 JJADRN O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc2c(Br)cnn2c1 ZINC001459998005 1067520343 /nfs/dbraw/zinc/52/03/43/1067520343.db2.gz REQVQZVNQSYCKT-KRWDZBQOSA-N 0 0 454.246 4.877 20 0 JJADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCCC[C@H]3c3ccc(Cl)cc3)cc2)C1 ZINC001459998921 1067520551 /nfs/dbraw/zinc/52/05/51/1067520551.db2.gz OHCDHAZLIXXSEJ-FGCOXFRFSA-N 0 0 454.014 4.888 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459998543 1067520593 /nfs/dbraw/zinc/52/05/93/1067520593.db2.gz ROHAISDVNIJBQJ-FYCOFBDGSA-N 0 0 452.395 4.865 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001460000756 1067521552 /nfs/dbraw/zinc/52/15/52/1067521552.db2.gz ZDQWBZUJNNGWRZ-IBGZPJMESA-N 0 0 458.990 4.535 20 0 JJADRN COc1cc(C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)sc1Br ZINC001460003010 1067522355 /nfs/dbraw/zinc/52/23/55/1067522355.db2.gz ALSPATBEJFEJCB-UHFFFAOYSA-N 0 0 452.779 4.607 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460003282 1067522671 /nfs/dbraw/zinc/52/26/71/1067522671.db2.gz DMMIUDFJSSAJPA-OAHLLOKOSA-N 0 0 458.356 4.838 20 0 JJADRN CC1(C)CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)c2cc(Br)ccc21 ZINC001460003457 1067522824 /nfs/dbraw/zinc/52/28/24/1067522824.db2.gz ORMCNZJRJKDAAN-UHFFFAOYSA-N 0 0 453.402 4.515 20 0 JJADRN COc1cccc(CN(C)[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1OCc1ccccc1F ZINC001460003683 1067522877 /nfs/dbraw/zinc/52/28/77/1067522877.db2.gz GKYAIVCKAUKXDY-MRXNPFEDSA-N 0 0 457.571 4.946 20 0 JJADRN COc1cccc(CN(C)[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1OCc1ccccc1F ZINC001460003682 1067522890 /nfs/dbraw/zinc/52/28/90/1067522890.db2.gz GKYAIVCKAUKXDY-INIZCTEOSA-N 0 0 457.571 4.946 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2ncoc2-c2ccccc2Cl)cc(C(F)(F)F)c1 ZINC001460004493 1067523296 /nfs/dbraw/zinc/52/32/96/1067523296.db2.gz HUAWAAOGCGSZBS-UHFFFAOYSA-N 0 0 459.829 4.774 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007690 1067524794 /nfs/dbraw/zinc/52/47/94/1067524794.db2.gz JLEWFHSBUHYWDN-SANMLTNESA-N 0 0 453.583 4.963 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCN1CCCc2ccccc21 ZINC001460007535 1067524824 /nfs/dbraw/zinc/52/48/24/1067524824.db2.gz RWUPSJLJROIPAI-XMMPIXPASA-N 0 0 451.611 4.742 20 0 JJADRN O=C(COc1ccccc1C(=O)NCCCC(F)(F)F)Nc1ccc(Br)cc1 ZINC001460008461 1067525148 /nfs/dbraw/zinc/52/51/48/1067525148.db2.gz WAMYTFSIFJGYMJ-UHFFFAOYSA-N 0 0 459.262 4.539 20 0 JJADRN CS(=O)(=O)c1cc(CNC(=O)C2(Sc3ccccc3)CCCC2)cc(C(F)(F)F)c1 ZINC001460009412 1067525548 /nfs/dbraw/zinc/52/55/48/1067525548.db2.gz YXGOHUKFSAPHCV-UHFFFAOYSA-N 0 0 457.539 4.830 20 0 JJADRN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001460009499 1067525552 /nfs/dbraw/zinc/52/55/52/1067525552.db2.gz ZSODVSQNZVXWOI-UHFFFAOYSA-N 0 0 453.948 4.516 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460008854 1067525643 /nfs/dbraw/zinc/52/56/43/1067525643.db2.gz WPXFZMUEMFXXQU-OAHLLOKOSA-N 0 0 452.308 4.694 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1)c1ccc(Br)cc1 ZINC001460011677 1067526322 /nfs/dbraw/zinc/52/63/22/1067526322.db2.gz PNWUKVYSDYVUTM-UHFFFAOYSA-N 0 0 451.324 4.696 20 0 JJADRN Cn1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3Cl)on2)cn1 ZINC001460010933 1067526499 /nfs/dbraw/zinc/52/64/99/1067526499.db2.gz LZWKSESWASGDDA-OAQYLSRUSA-N 0 0 457.962 4.523 20 0 JJADRN O=C1[C@@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014029 1067527379 /nfs/dbraw/zinc/52/73/79/1067527379.db2.gz ALKXSXDDMLSLNJ-DLBZAZTESA-N 0 0 451.247 4.580 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001460014811 1067527640 /nfs/dbraw/zinc/52/76/40/1067527640.db2.gz NQYJACNDCBLJLS-PMACEKPBSA-N 0 0 456.030 4.610 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460015609 1067528722 /nfs/dbraw/zinc/52/87/22/1067528722.db2.gz KDMRYBLCKLWVMA-HNNXBMFYSA-N 0 0 458.584 4.784 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1ccc(Br)cc1 ZINC001460015764 1067528833 /nfs/dbraw/zinc/52/88/33/1067528833.db2.gz AXXQZJWEMZOFQS-INIZCTEOSA-N 0 0 452.190 4.987 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)Oc2cnc3ccc(Cl)cc3c2)=NN1c1ccccc1 ZINC001460018656 1067529715 /nfs/dbraw/zinc/52/97/15/1067529715.db2.gz JNHJXFHBEKPPFL-NRFANRHFSA-N 0 0 451.910 4.770 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017697 1067529724 /nfs/dbraw/zinc/52/97/24/1067529724.db2.gz SPWIZFTWYMWERV-FQEVSTJZSA-N 0 0 450.892 4.881 20 0 JJADRN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001460018420 1067529748 /nfs/dbraw/zinc/52/97/48/1067529748.db2.gz DADNQVHWZQHYJN-QHCPKHFHSA-N 0 0 458.574 4.631 20 0 JJADRN CCOC(=O)[C@H](c1cccc(Cl)c1)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460018120 1067529795 /nfs/dbraw/zinc/52/97/95/1067529795.db2.gz PIIUHSWIRSLOLK-BDTNDASRSA-N 0 0 458.986 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](c2cccnc2)C1 ZINC001460021663 1067531362 /nfs/dbraw/zinc/53/13/62/1067531362.db2.gz BWUFOAYXLGCNIZ-MRXNPFEDSA-N 0 0 456.896 4.943 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@@H]1c1ccc(Br)c(C)c1)[nH]c2=O ZINC001460022226 1067531596 /nfs/dbraw/zinc/53/15/96/1067531596.db2.gz IHNJLWSDTPZWSG-LJQANCHMSA-N 0 0 456.340 4.530 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001460022474 1067531842 /nfs/dbraw/zinc/53/18/42/1067531842.db2.gz HAAAPXOYMKWFPK-LJQANCHMSA-N 0 0 450.193 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](c2cccnc2)C1 ZINC001460024248 1067532192 /nfs/dbraw/zinc/53/21/92/1067532192.db2.gz LXIMIHOMFJQWQR-WOJBJXKFSA-N 0 0 452.382 4.716 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)CSCc3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC001460025107 1067532764 /nfs/dbraw/zinc/53/27/64/1067532764.db2.gz UQKJLCWAQQSPGB-UHFFFAOYSA-N 0 0 453.608 4.953 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(Br)c2)[C@H](c2cccnc2)C1 ZINC001460026335 1067532808 /nfs/dbraw/zinc/53/28/08/1067532808.db2.gz UIOSICBDQUBUFH-IBGZPJMESA-N 0 0 450.352 4.777 20 0 JJADRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cccnc1OCc1ccccc1F ZINC001460028991 1067533691 /nfs/dbraw/zinc/53/36/91/1067533691.db2.gz DPIQGJROCYIPEF-FQEVSTJZSA-N 0 0 456.315 4.838 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)n2)cc1F ZINC001460031781 1067534479 /nfs/dbraw/zinc/53/44/79/1067534479.db2.gz KGEVRJPTDFQNHS-HXUWFJFHSA-N 0 0 459.319 4.542 20 0 JJADRN Cc1ccc(CN(CCCn2c(=O)[nH]c3ccccc32)C[C@@H]2CCCO2)c(Br)c1 ZINC001460031980 1067534525 /nfs/dbraw/zinc/53/45/25/1067534525.db2.gz DKZXCCQOBPATQO-IBGZPJMESA-N 0 0 458.400 4.884 20 0 JJADRN Cc1ccc(CN(Cc2cc(=O)oc3cc(O)ccc23)C[C@H]2CCCO2)c(Br)c1 ZINC001460032770 1067534928 /nfs/dbraw/zinc/53/49/28/1067534928.db2.gz GAZRXUCKBUMKBG-LJQANCHMSA-N 0 0 458.352 4.751 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c(=O)[nH]1 ZINC001460034002 1067535260 /nfs/dbraw/zinc/53/52/60/1067535260.db2.gz PHYDCFHMPLZCLZ-FQEVSTJZSA-N 0 0 454.324 4.501 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCC(Oc4ncccc4C)CC3)n2)c(C)c1 ZINC001460033660 1067535267 /nfs/dbraw/zinc/53/52/67/1067535267.db2.gz SPWZHVVGFQXUIU-UHFFFAOYSA-N 0 0 450.608 4.921 20 0 JJADRN Cc1ccc(Cl)c(OC[C@@H](O)CN2CC(C)(C)N(C)c3ccc(Br)cc32)c1 ZINC001460036001 1067535814 /nfs/dbraw/zinc/53/58/14/1067535814.db2.gz APLVZEXLWDGJNH-INIZCTEOSA-N 0 0 453.808 4.886 20 0 JJADRN Cc1cc(C)cc(OCc2noc(CN(Cc3cnn(C)c3)Cc3ccc(Cl)cc3)n2)c1 ZINC001460037829 1067536026 /nfs/dbraw/zinc/53/60/26/1067536026.db2.gz HJAARRPNPKXZIX-UHFFFAOYSA-N 0 0 451.958 4.855 20 0 JJADRN C[C@H](NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042380 1067537132 /nfs/dbraw/zinc/53/71/32/1067537132.db2.gz ZBTRHPKKXCHAGF-JTSKRJEESA-N 0 0 450.380 4.669 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2noc(-c3c(F)cccc3Cl)n2)C1)OCc1ccccc1 ZINC001460044022 1067537385 /nfs/dbraw/zinc/53/73/85/1067537385.db2.gz GEBYOOJHGSAJKZ-QGZVFWFLSA-N 0 0 458.921 4.668 20 0 JJADRN Cc1ccc(Cl)c(OC[C@H](O)CN2CC(C)(C)N(C)c3cc(Br)ccc32)c1 ZINC001460044088 1067537623 /nfs/dbraw/zinc/53/76/23/1067537623.db2.gz GPAGMSGIQFQQAX-MRXNPFEDSA-N 0 0 453.808 4.886 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N[C@H](C)C3CCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001460044869 1067537855 /nfs/dbraw/zinc/53/78/55/1067537855.db2.gz ZMJIKLZNBBONEF-VAQLEPBLSA-N 0 0 450.579 4.883 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCOc2c(Br)cccc2C1 ZINC001460047985 1067538761 /nfs/dbraw/zinc/53/87/61/1067538761.db2.gz FBLXBFLPWZEKIU-CYBMUJFWSA-N 0 0 453.764 4.641 20 0 JJADRN CO[C@@]1(C)CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001460049386 1067539186 /nfs/dbraw/zinc/53/91/86/1067539186.db2.gz LKQRTJDKYCDVHP-VWLOTQADSA-N 0 0 453.583 4.983 20 0 JJADRN COC(=O)CN(Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(Br)c1 ZINC001460053160 1067539863 /nfs/dbraw/zinc/53/98/63/1067539863.db2.gz VSOOWBBSXSAXQU-UHFFFAOYSA-N 0 0 451.267 4.558 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1 ZINC001460054625 1067540224 /nfs/dbraw/zinc/54/02/24/1067540224.db2.gz MBSJJNRFWGIAEP-GOSISDBHSA-N 0 0 456.593 4.527 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)OCc3cc(F)c(C)cc3F)nc2n1 ZINC001460054520 1067540278 /nfs/dbraw/zinc/54/02/78/1067540278.db2.gz FIGUTGWCRXPXNG-UHFFFAOYSA-N 0 0 454.502 4.977 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001460056295 1067540709 /nfs/dbraw/zinc/54/07/09/1067540709.db2.gz SBCUBTFIJBMLAM-AWEZNQCLSA-N 0 0 459.344 4.910 20 0 JJADRN CC(C)(C)[C@H]1CSCCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001460055884 1067540733 /nfs/dbraw/zinc/54/07/33/1067540733.db2.gz MUGMFZLGNFYAKB-CYBMUJFWSA-N 0 0 457.299 4.914 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC001460056128 1067540752 /nfs/dbraw/zinc/54/07/52/1067540752.db2.gz RAJJZUQRDUEDAP-HOIFWPIMSA-N 0 0 451.592 4.876 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](SC)C(C)(C)C)CCS1 ZINC001546113557 1067540756 /nfs/dbraw/zinc/54/07/56/1067540756.db2.gz CMTQNNHNQRTSOI-KRWDZBQOSA-N 0 0 476.716 4.815 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC001460057271 1067541111 /nfs/dbraw/zinc/54/11/11/1067541111.db2.gz YHDOQMUXXMOGTB-PZJWPPBQSA-N 0 0 459.608 4.959 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC001460057269 1067541121 /nfs/dbraw/zinc/54/11/21/1067541121.db2.gz YHDOQMUXXMOGTB-CTNGQTDRSA-N 0 0 459.608 4.959 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057498 1067541422 /nfs/dbraw/zinc/54/14/22/1067541422.db2.gz WPFASWGIYHOLJK-LJQANCHMSA-N 0 0 451.633 4.884 20 0 JJADRN OC1(c2ccccc2C(F)(F)F)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001460059837 1067541775 /nfs/dbraw/zinc/54/17/75/1067541775.db2.gz NMYTVYXANUOGSD-UHFFFAOYSA-N 0 0 454.290 4.828 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)O[C@H](C)c2ccc(F)c(I)c2)cc1 ZINC001460060803 1067542311 /nfs/dbraw/zinc/54/23/11/1067542311.db2.gz GSIISBJJZDILJI-LLVKDONJSA-N 0 0 457.239 4.917 20 0 JJADRN CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001460065481 1067544258 /nfs/dbraw/zinc/54/42/58/1067544258.db2.gz GIPCLUWXTRZYKO-WDIUMHBWSA-N 0 0 458.451 4.864 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460067579 1067544847 /nfs/dbraw/zinc/54/48/47/1067544847.db2.gz BMZDHWLMGLLWSY-HZPDHXFCSA-N 0 0 452.860 4.615 20 0 JJADRN COc1ccc(-c2nc(CN3CCC[C@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072582 1067545903 /nfs/dbraw/zinc/54/59/03/1067545903.db2.gz SBTKHUCHXPJTRK-IBGZPJMESA-N 0 0 459.612 4.851 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460073815 1067546336 /nfs/dbraw/zinc/54/63/36/1067546336.db2.gz QBSLVAYBCRZOCO-HOTGVXAUSA-N 0 0 452.860 4.615 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)Cc1ccc(Br)cc1Cl ZINC001460073840 1067547314 /nfs/dbraw/zinc/54/73/14/1067547314.db2.gz ZAFOHCJVNSXOPT-UHFFFAOYSA-N 0 0 459.793 4.638 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC001460075922 1067547614 /nfs/dbraw/zinc/54/76/14/1067547614.db2.gz BISMWXMZXJWVAE-ZUZCIYMTSA-N 0 0 450.251 4.524 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC001460075901 1067547742 /nfs/dbraw/zinc/54/77/42/1067547742.db2.gz BISMWXMZXJWVAE-BMIGLBTASA-N 0 0 450.251 4.524 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(O)CCC2)CCS1 ZINC001546113720 1067548837 /nfs/dbraw/zinc/54/88/37/1067548837.db2.gz IXPVPIBNCDOFRD-GOSISDBHSA-N 0 0 462.635 4.974 20 0 JJADRN COc1ccc(NC(=O)c2nnc(CN3CCC([C@H](F)c4ccccc4F)CC3)s2)cc1 ZINC001460081146 1067549049 /nfs/dbraw/zinc/54/90/49/1067549049.db2.gz IGLDHTJLGDUTHU-NRFANRHFSA-N 0 0 458.534 4.861 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)CCS1 ZINC001546113728 1067549492 /nfs/dbraw/zinc/54/94/92/1067549492.db2.gz JBVXMXLYOJWXGM-SFHVURJKSA-N 0 0 472.634 4.759 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)CCN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC001460087523 1067550727 /nfs/dbraw/zinc/55/07/27/1067550727.db2.gz BNIXIOHVCJTKTC-AREMUKBSSA-N 0 0 451.632 4.994 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC001460089568 1067551891 /nfs/dbraw/zinc/55/18/91/1067551891.db2.gz IVFQIAHFMRRXNG-LJQANCHMSA-N 0 0 459.974 4.980 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001460092602 1067552709 /nfs/dbraw/zinc/55/27/09/1067552709.db2.gz IVWBDEVMYXDAHP-SFHVURJKSA-N 0 0 453.446 4.816 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001460096546 1067553824 /nfs/dbraw/zinc/55/38/24/1067553824.db2.gz SYMDDBZERQJEHK-UHFFFAOYSA-N 0 0 455.502 4.914 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2C)CCS1 ZINC001546113842 1067554014 /nfs/dbraw/zinc/55/40/14/1067554014.db2.gz MNLIISKRASUCLW-UHFFFAOYSA-N 0 0 462.063 4.636 20 0 JJADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001460097172 1067554460 /nfs/dbraw/zinc/55/44/60/1067554460.db2.gz GALFCBZLZXVPLG-RPWUZVMVSA-N 0 0 451.014 4.960 20 0 JJADRN CC(C)(C)c1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n1 ZINC001460099915 1067554877 /nfs/dbraw/zinc/55/48/77/1067554877.db2.gz KMRORKRGKNLITM-UHFFFAOYSA-N 0 0 455.605 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC001460106777 1067556597 /nfs/dbraw/zinc/55/65/97/1067556597.db2.gz RWZAYUJWZMNFSU-OAQYLSRUSA-N 0 0 451.007 4.969 20 0 JJADRN NC(=O)CCN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCOc2ccccc21 ZINC001460110302 1067556932 /nfs/dbraw/zinc/55/69/32/1067556932.db2.gz IELOHUWUESIJSU-VJSYINPZSA-N 0 0 452.860 4.514 20 0 JJADRN CS(C)(=O)=Nc1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001460112963 1067557664 /nfs/dbraw/zinc/55/76/64/1067557664.db2.gz RJWGJRVOSFSSEN-UHFFFAOYSA-N 0 0 451.264 4.959 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN(c2ccc(Br)cc2)C2CC2)cc1OC ZINC001460114443 1067558311 /nfs/dbraw/zinc/55/83/11/1067558311.db2.gz NTVUDGGTCBKYFA-FQEVSTJZSA-N 0 0 459.384 4.799 20 0 JJADRN O=C(Nc1cccc2c(Br)ccnc12)c1ccccc1I ZINC001460116880 1067558753 /nfs/dbraw/zinc/55/87/53/1067558753.db2.gz QVNKQVSVBNAGLG-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001460118817 1067558930 /nfs/dbraw/zinc/55/89/30/1067558930.db2.gz IRGZGNIUPDREFO-NRFANRHFSA-N 0 0 455.473 4.552 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CCS1 ZINC001546113998 1067558975 /nfs/dbraw/zinc/55/89/75/1067558975.db2.gz ROFFZBDHXSUJFP-UZUQRXQVSA-N 0 0 492.089 4.662 20 0 JJADRN Cn1nccc1[C@H]1C[C@@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCO1 ZINC001460121568 1067559265 /nfs/dbraw/zinc/55/92/65/1067559265.db2.gz HUUKKSREFDIUPA-WMLDXEAASA-N 0 0 451.470 4.697 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC001460132730 1067561185 /nfs/dbraw/zinc/56/11/85/1067561185.db2.gz QGSKLUJPELVOHV-GOSISDBHSA-N 0 0 456.970 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2C1 ZINC001460131561 1067561323 /nfs/dbraw/zinc/56/13/23/1067561323.db2.gz NBGDOIJPNHYXSO-UHFFFAOYSA-N 0 0 455.942 4.970 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 ZINC001460136288 1067562478 /nfs/dbraw/zinc/56/24/78/1067562478.db2.gz QEFVCPSGCHMXCV-DEOSSOPVSA-N 0 0 452.501 4.745 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN[C@H](CCO)c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001460137815 1067562703 /nfs/dbraw/zinc/56/27/03/1067562703.db2.gz AFUOIFPPOYBNTK-LJQANCHMSA-N 0 0 450.482 4.829 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460144537 1067563860 /nfs/dbraw/zinc/56/38/60/1067563860.db2.gz KOAKCXIBWQYTBD-CVEARBPZSA-N 0 0 451.445 4.747 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC=CCO2)CCS1 ZINC001546114202 1067564866 /nfs/dbraw/zinc/56/48/66/1067564866.db2.gz YZUJVJZSLZNXPC-OAQYLSRUSA-N 0 0 469.655 4.604 20 0 JJADRN Cc1c(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)nnn1-c1ccccc1Br ZINC001460151517 1067565650 /nfs/dbraw/zinc/56/56/50/1067565650.db2.gz NQIYCHLHAXOMAM-UHFFFAOYSA-N 0 0 457.347 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460150719 1067565770 /nfs/dbraw/zinc/56/57/70/1067565770.db2.gz KOSPJZUVKALNRQ-CGTJXYLNSA-N 0 0 456.505 4.985 20 0 JJADRN COc1ccc([C@H](O)C2CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152045 1067566045 /nfs/dbraw/zinc/56/60/45/1067566045.db2.gz STWLZRQUVMWLMA-IZLXSDGUSA-N 0 0 450.623 4.878 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC001460156765 1067566883 /nfs/dbraw/zinc/56/68/83/1067566883.db2.gz BXZDJECROBKQAK-XMMPIXPASA-N 0 0 458.961 4.754 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1nnc2ccc(Br)cn21 ZINC001460161014 1067567624 /nfs/dbraw/zinc/56/76/24/1067567624.db2.gz MWDOHVNBMAFQJL-UHFFFAOYSA-N 0 0 456.247 4.681 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ncc(C2CCOCC2)s1 ZINC001460165723 1067568447 /nfs/dbraw/zinc/56/84/47/1067568447.db2.gz NOQXGZQXGYLGTL-UHFFFAOYSA-N 0 0 458.561 4.961 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN(C)C1CC(OCC)C1 ZINC001460168900 1067568880 /nfs/dbraw/zinc/56/88/80/1067568880.db2.gz BHMKBOQFNVLLPV-UHFFFAOYSA-N 0 0 450.988 4.683 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169107 1067569284 /nfs/dbraw/zinc/56/92/84/1067569284.db2.gz IWZAFULOQWTUIQ-RUZDIDTESA-N 0 0 454.058 4.720 20 0 JJADRN COc1ccc(CN2CCc3c(F)ccc(Br)c3C2)c(Br)c1OC ZINC001460173551 1067570035 /nfs/dbraw/zinc/57/00/35/1067570035.db2.gz RUQLGJATVSBXAY-UHFFFAOYSA-N 0 0 459.153 4.926 20 0 JJADRN COc1ccc(-c2cc3[n-]c(C[NH2+][C@H](CCO)c4ccc(Cl)cc4)nc(=O)c3s2)cc1 ZINC001460173561 1067570175 /nfs/dbraw/zinc/57/01/75/1067570175.db2.gz SVQWAEGVTLNLGK-GOSISDBHSA-N 0 0 455.967 4.527 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(C)(C)c1ccccn1)c1ccccc1C(F)(F)F ZINC001460175802 1067571092 /nfs/dbraw/zinc/57/10/92/1067571092.db2.gz CBSDVAHMHDAMAX-GOSISDBHSA-N 0 0 451.489 4.760 20 0 JJADRN C[C@@H](NCc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCCCC2=O)cc1 ZINC001460175182 1067571159 /nfs/dbraw/zinc/57/11/59/1067571159.db2.gz YUBGHWBMRAXTIU-MRXNPFEDSA-N 0 0 459.384 4.978 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)C(=O)OC(C)(C)C ZINC001460181357 1067572614 /nfs/dbraw/zinc/57/26/14/1067572614.db2.gz SKRAFDXYNFALLA-OAHLLOKOSA-N 0 0 450.530 4.811 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)C(=O)OC(C)(C)C ZINC001460181352 1067572633 /nfs/dbraw/zinc/57/26/33/1067572633.db2.gz SKRAFDXYNFALLA-HNNXBMFYSA-N 0 0 450.530 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184451 1067574187 /nfs/dbraw/zinc/57/41/87/1067574187.db2.gz XWVPOEQTKFUVAM-UGKGYDQZSA-N 0 0 451.567 4.749 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460191459 1067575282 /nfs/dbraw/zinc/57/52/82/1067575282.db2.gz XJRNMAOCOFWLRP-XMSQKQJNSA-N 0 0 457.398 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001460190192 1067575382 /nfs/dbraw/zinc/57/53/82/1067575382.db2.gz QSSVMLHVDSYAJG-KRWDZBQOSA-N 0 0 452.473 4.707 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2)NCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001460199886 1067577589 /nfs/dbraw/zinc/57/75/89/1067577589.db2.gz XBQMSRQFBNEEKE-QFIPXVFZSA-N 0 0 453.468 4.763 20 0 JJADRN CC(C)[C@@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC001460199121 1067577690 /nfs/dbraw/zinc/57/76/90/1067577690.db2.gz FBHAKMYNQPTFAB-PFIBXDCOSA-N 0 0 452.998 4.735 20 0 JJADRN CC(C)[C@@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC001460199123 1067577747 /nfs/dbraw/zinc/57/77/47/1067577747.db2.gz FBHAKMYNQPTFAB-WEZICIFLSA-N 0 0 452.998 4.735 20 0 JJADRN CCOCCOCc1cccc(CNC(=O)CN2CCCc3c(Cl)cc(Cl)cc32)c1 ZINC001460202093 1067578286 /nfs/dbraw/zinc/57/82/86/1067578286.db2.gz QIAKDIURUUWQHK-UHFFFAOYSA-N 0 0 451.394 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccc3ccc(Cl)cc3n2)C1 ZINC001460205800 1067578559 /nfs/dbraw/zinc/57/85/59/1067578559.db2.gz BGQHDLAKWYYTNN-DNQXCXABSA-N 0 0 467.997 4.871 20 0 JJADRN Cn1ncc(Br)c1C(=O)NCC1(c2ccccc2Br)CCCCC1 ZINC001460204764 1067578594 /nfs/dbraw/zinc/57/85/94/1067578594.db2.gz CRWGNSWQRVCSOY-UHFFFAOYSA-N 0 0 455.194 4.577 20 0 JJADRN CC(C)[C@H](C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001460207842 1067579304 /nfs/dbraw/zinc/57/93/04/1067579304.db2.gz BCLZANQNNQLPHZ-SUMDDJOVSA-N 0 0 453.421 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCOc1ccc(F)c(Cl)c1 ZINC001460208744 1067579565 /nfs/dbraw/zinc/57/95/65/1067579565.db2.gz VFZGVWZIUZEUFV-YSGRDPCXSA-N 0 0 454.970 4.932 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC(C)(C)C3CCC3)nnc2-c2cccnc2)cc1 ZINC001460208305 1067579640 /nfs/dbraw/zinc/57/96/40/1067579640.db2.gz DIHQXTOLLALKCP-UHFFFAOYSA-N 0 0 451.596 4.515 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001460210833 1067579980 /nfs/dbraw/zinc/57/99/80/1067579980.db2.gz GOBDJGVZZBSJBR-CQSZACIVSA-N 0 0 456.306 4.559 20 0 JJADRN CCc1c(C(=O)Nc2ccc(OC)cc2Br)nnn1-c1ccc(OC(C)C)cc1 ZINC001460211227 1067580397 /nfs/dbraw/zinc/58/03/97/1067580397.db2.gz TYKHXIGYKSDNCU-UHFFFAOYSA-N 0 0 459.344 4.640 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460211210 1067580513 /nfs/dbraw/zinc/58/05/13/1067580513.db2.gz YHHTXFVGOSIXFM-INIZCTEOSA-N 0 0 453.986 4.919 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)nc1-c1ccc(Br)cc1 ZINC001460212084 1067580737 /nfs/dbraw/zinc/58/07/37/1067580737.db2.gz QAGCJEMSBGGDGY-JRPNMDOOSA-N 0 0 453.358 4.501 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCc3ncc(C(F)(F)F)cn3)cc12 ZINC001460213769 1067580965 /nfs/dbraw/zinc/58/09/65/1067580965.db2.gz YQBDBRHVDKRZSU-UHFFFAOYSA-N 0 0 451.861 4.788 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)CCS1 ZINC001546114746 1067582173 /nfs/dbraw/zinc/58/21/73/1067582173.db2.gz FGBSZTPPOYAFIB-LJQANCHMSA-N 0 0 474.671 4.889 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Cl)n2CCCC(=O)N(C)C)CCS1 ZINC001546114750 1067582187 /nfs/dbraw/zinc/58/21/87/1067582187.db2.gz FIPSSPDDJCGRKU-UHFFFAOYSA-N 0 0 450.052 4.579 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)cs1 ZINC001460219662 1067582308 /nfs/dbraw/zinc/58/23/08/1067582308.db2.gz FFGUXNDRWPVKOR-UHFFFAOYSA-N 0 0 451.995 4.897 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(OC)C2CC2)CCS1 ZINC001546114782 1067582395 /nfs/dbraw/zinc/58/23/95/1067582395.db2.gz GLQDWEHJTPXSTF-FQEVSTJZSA-N 0 0 482.492 4.963 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCCO)CCS1 ZINC001546114795 1067582525 /nfs/dbraw/zinc/58/25/25/1067582525.db2.gz GUVWAYVQYMYZEM-UHFFFAOYSA-N 0 0 497.503 4.991 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N(C)C[C@@H]2OCCc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001460219854 1067582807 /nfs/dbraw/zinc/58/28/07/1067582807.db2.gz YGOCNUFXIVKTMX-NGYIFUPDSA-N 0 0 458.961 4.550 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1=O ZINC001460220724 1067583157 /nfs/dbraw/zinc/58/31/57/1067583157.db2.gz VAJSSPZFHXFVLE-LJQANCHMSA-N 0 0 458.961 4.583 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)CN(CCCCc2ccccc2)c2ccccc2)c1 ZINC001460222465 1067583386 /nfs/dbraw/zinc/58/33/86/1067583386.db2.gz HYTWVQXWBLNPJB-UHFFFAOYSA-N 0 0 454.567 4.697 20 0 JJADRN COC[C@]1(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001460222307 1067583582 /nfs/dbraw/zinc/58/35/82/1067583582.db2.gz LUPAVPXENVTKPM-MHZLTWQESA-N 0 0 458.643 4.964 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)NCc1c(Br)cncc1Br ZINC001460226090 1067583961 /nfs/dbraw/zinc/58/39/61/1067583961.db2.gz CGZRRNKOCUKLSS-GFCCVEGCSA-N 0 0 458.219 4.792 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)NCC2(c3cccc(Cl)c3)CCCCC2)no1 ZINC001460228227 1067584209 /nfs/dbraw/zinc/58/42/09/1067584209.db2.gz GKCJBTRXIACTQZ-INIZCTEOSA-N 0 0 450.004 4.715 20 0 JJADRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1nnn(-c2ccccc2)c1C(F)F ZINC001460226633 1067584276 /nfs/dbraw/zinc/58/42/76/1067584276.db2.gz ITCSLFNWVILDSA-AWEZNQCLSA-N 0 0 451.246 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@@H]2CCC3(CCC3)O2)C1 ZINC001460228181 1067584357 /nfs/dbraw/zinc/58/43/57/1067584357.db2.gz BGKPUDRSKDWDRH-BAGYTPMASA-N 0 0 460.590 4.774 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC001460228746 1067584649 /nfs/dbraw/zinc/58/46/49/1067584649.db2.gz IBCMFNVQAQOAPD-JLTOFOAXSA-N 0 0 454.368 4.953 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)CCS1 ZINC001546114843 1067585016 /nfs/dbraw/zinc/58/50/16/1067585016.db2.gz IEHFCRUAZPMLBM-NRFANRHFSA-N 0 0 458.672 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)C1 ZINC001460229669 1067585031 /nfs/dbraw/zinc/58/50/31/1067585031.db2.gz FLSHNMCYOKWOBP-HSZRJFAPSA-N 0 0 451.007 4.684 20 0 JJADRN CCOc1cc(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)ccc1OCC(=O)OC ZINC001460231352 1067585415 /nfs/dbraw/zinc/58/54/15/1067585415.db2.gz KFAWGQXJSNDHOZ-UHFFFAOYSA-N 0 0 459.970 4.922 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)CCOCC2)CCS1 ZINC001546114930 1067585985 /nfs/dbraw/zinc/58/59/85/1067585985.db2.gz LLSNLADJJNOQCB-UHFFFAOYSA-N 0 0 496.519 4.975 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)s2)CCS1 ZINC001546114957 1067586265 /nfs/dbraw/zinc/58/62/65/1067586265.db2.gz MDXREGLAEDGFCC-UHFFFAOYSA-N 0 0 490.720 4.879 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC(=O)N2C)cc1 ZINC001460233777 1067586306 /nfs/dbraw/zinc/58/63/06/1067586306.db2.gz ULCAZNMSCOVNSA-ISKFKSNPSA-N 0 0 454.998 4.886 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCS1 ZINC001546114984 1067586885 /nfs/dbraw/zinc/58/68/85/1067586885.db2.gz NBXAIBOCBZRVHB-QGZVFWFLSA-N 0 0 483.103 4.535 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1)c1ccccc1 ZINC001460240335 1067588764 /nfs/dbraw/zinc/58/87/64/1067588764.db2.gz MRLWRFGRUPUOTN-BXWFABGCSA-N 0 0 454.514 4.529 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3Br)C2)cc1 ZINC001460242474 1067589501 /nfs/dbraw/zinc/58/95/01/1067589501.db2.gz SGIHQJRMRXSHAW-GOSISDBHSA-N 0 0 454.368 4.738 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001460243116 1067589538 /nfs/dbraw/zinc/58/95/38/1067589538.db2.gz VGDGARUUOITCBF-LJFZDNNRSA-N 0 0 450.645 4.593 20 0 JJADRN CN(C)C(=O)O[C@@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 ZINC001460245646 1067590359 /nfs/dbraw/zinc/59/03/59/1067590359.db2.gz PEBLMHQKZNXKDO-HXUWFJFHSA-N 0 0 450.560 4.907 20 0 JJADRN CSc1ccccc1OC[C@H](O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247962 1067590690 /nfs/dbraw/zinc/59/06/90/1067590690.db2.gz WSUCBJCGDFCLHH-OAQYLSRUSA-N 0 0 451.636 4.733 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCCO)CCS1 ZINC001546115042 1067590722 /nfs/dbraw/zinc/59/07/22/1067590722.db2.gz PLDIJYLIDPUOSS-UHFFFAOYSA-N 0 0 497.503 4.991 20 0 JJADRN COc1cc2c(cc1NC(=O)CN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251711 1067591430 /nfs/dbraw/zinc/59/14/30/1067591430.db2.gz AOYDXFPQDYMQPT-IAGOWNOFSA-N 0 0 452.551 4.833 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)CCS1 ZINC001546115070 1067591911 /nfs/dbraw/zinc/59/19/11/1067591911.db2.gz QNLXCRMDOBSJRZ-SFHVURJKSA-N 0 0 495.487 4.543 20 0 JJADRN Cc1ncc(Br)cc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC001460252290 1067591969 /nfs/dbraw/zinc/59/19/69/1067591969.db2.gz JHZZCIAFQWQSII-UHFFFAOYSA-N 0 0 454.162 4.602 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC001460254757 1067592302 /nfs/dbraw/zinc/59/23/02/1067592302.db2.gz ATRSLUMGMNGTHB-DEOSSOPVSA-N 0 0 451.611 4.804 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CCS1 ZINC001546115115 1067592608 /nfs/dbraw/zinc/59/26/08/1067592608.db2.gz SOKAZCPCNPOMSW-CVDCTZTESA-N 0 0 468.733 4.574 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC001460265147 1067593500 /nfs/dbraw/zinc/59/35/00/1067593500.db2.gz QOWYIMDZHZNBCY-OAHLLOKOSA-N 0 0 450.366 4.888 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC001460272256 1067594969 /nfs/dbraw/zinc/59/49/69/1067594969.db2.gz NQLJSXVIANPVEN-HXUWFJFHSA-N 0 0 457.361 4.851 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCO2)CCS1 ZINC001546115210 1067596236 /nfs/dbraw/zinc/59/62/36/1067596236.db2.gz WJPUWKBISYVNFY-KRWDZBQOSA-N 0 0 482.492 4.727 20 0 JJADRN Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 ZINC001460280567 1067597026 /nfs/dbraw/zinc/59/70/26/1067597026.db2.gz RWNOCLSNWPSABF-DHIUTWEWSA-N 0 0 458.624 4.753 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001460283597 1067598160 /nfs/dbraw/zinc/59/81/60/1067598160.db2.gz BDWRPPVUIDGRFA-UHFFFAOYSA-N 0 0 451.542 4.568 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC001460284536 1067598186 /nfs/dbraw/zinc/59/81/86/1067598186.db2.gz SGXHEQCSQOOAPP-IBGZPJMESA-N 0 0 458.486 4.670 20 0 JJADRN Cc1ccc(NC(=O)Cc2ccc(F)cc2Br)cc1S(=O)(=O)C1CCCC1 ZINC001460283850 1067598191 /nfs/dbraw/zinc/59/81/91/1067598191.db2.gz AVWKSPGTXDODCP-UHFFFAOYSA-N 0 0 454.361 4.794 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CCS1 ZINC001546115256 1067598672 /nfs/dbraw/zinc/59/86/72/1067598672.db2.gz XYZVUSLWSYNTBU-UHFFFAOYSA-N 0 0 468.602 4.598 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)nnn1-c1ccccc1Cl ZINC001460286992 1067598842 /nfs/dbraw/zinc/59/88/42/1067598842.db2.gz OPQSZJOAYVSQCM-INIZCTEOSA-N 0 0 459.775 4.696 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC001460286767 1067598880 /nfs/dbraw/zinc/59/88/80/1067598880.db2.gz NJDJPVPPUKPOSZ-UHFFFAOYSA-N 0 0 451.592 4.695 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460287997 1067599274 /nfs/dbraw/zinc/59/92/74/1067599274.db2.gz SVFCZJDWZPOCQE-KRWDZBQOSA-N 0 0 454.368 4.512 20 0 JJADRN O=C(CN1CCC[C@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293106 1067599994 /nfs/dbraw/zinc/59/99/94/1067599994.db2.gz BMQOMURAVMMJED-FQEVSTJZSA-N 0 0 455.530 4.924 20 0 JJADRN Cc1nc(NC(=O)CN2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)sc1Cc1ccc(C)cc1 ZINC001460290925 1067600013 /nfs/dbraw/zinc/60/00/13/1067600013.db2.gz GBMAFWDLWRNAIF-MHECFPHRSA-N 0 0 453.583 4.890 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2c(F)cccc2F)CC1 ZINC001460297284 1067600846 /nfs/dbraw/zinc/60/08/46/1067600846.db2.gz VXDWGUKIYYRFET-IBGZPJMESA-N 0 0 451.517 4.693 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300056 1067601417 /nfs/dbraw/zinc/60/14/17/1067601417.db2.gz CDXSACSGCZICMU-TYCQWZJGSA-N 0 0 473.411 4.833 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001460298201 1067601429 /nfs/dbraw/zinc/60/14/29/1067601429.db2.gz HQIXVNBGHQTFHP-UHFFFAOYSA-N 0 0 452.954 4.850 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300030 1067601468 /nfs/dbraw/zinc/60/14/68/1067601468.db2.gz BLRFLLPZJFZXIT-AZUAARDMSA-N 0 0 459.993 4.841 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c(OC)c1 ZINC001460306465 1067603814 /nfs/dbraw/zinc/60/38/14/1067603814.db2.gz BSQHVISLSCOEAR-XVNBXDOJSA-N 0 0 456.542 4.878 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cccn2)c(F)c1 ZINC001460313115 1067605293 /nfs/dbraw/zinc/60/52/93/1067605293.db2.gz PSNVFWZBTLGTLO-GFCCVEGCSA-N 0 0 452.711 4.684 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C[C@H]1c1ccccc1 ZINC001460315216 1067605798 /nfs/dbraw/zinc/60/57/98/1067605798.db2.gz KZUOTZCVPZODTP-LEWJYISDSA-N 0 0 463.603 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317702 1067606291 /nfs/dbraw/zinc/60/62/91/1067606291.db2.gz NHJCNDYEJYOWPG-DUXKGJEZSA-N 0 0 459.562 4.908 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1)[C@@H]1C[C@@H]1C ZINC001460320224 1067607299 /nfs/dbraw/zinc/60/72/99/1067607299.db2.gz DGSQTWBOARQLDK-LHSJRXKWSA-N 0 0 453.340 4.648 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC001460321314 1067607612 /nfs/dbraw/zinc/60/76/12/1067607612.db2.gz AGYBDJNOSLOOBA-KOSHJBKYSA-N 0 0 459.521 4.560 20 0 JJADRN O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001460321330 1067607660 /nfs/dbraw/zinc/60/76/60/1067607660.db2.gz QWFVOZQIFJOGTF-FPJJECCMSA-N 0 0 455.938 4.707 20 0 JJADRN COc1ccncc1CNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001460322268 1067607944 /nfs/dbraw/zinc/60/79/44/1067607944.db2.gz AIWDGMLVVTYACY-UHFFFAOYSA-N 0 0 452.967 4.550 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)nn1-c1ccccc1Cl ZINC001460324541 1067608510 /nfs/dbraw/zinc/60/85/10/1067608510.db2.gz SXRFONMQEUGMOF-VFNWGFHPSA-N 0 0 451.958 4.887 20 0 JJADRN CC(=O)N(c1nc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325060 1067608527 /nfs/dbraw/zinc/60/85/27/1067608527.db2.gz GHOSOULUBYUWME-VQTJNVASSA-N 0 0 458.628 4.918 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1)[C@@H]1C[C@H]1C ZINC001460326065 1067608920 /nfs/dbraw/zinc/60/89/20/1067608920.db2.gz XDGSXERZVAMZEU-IQMFZBJNSA-N 0 0 458.555 4.556 20 0 JJADRN CC1(C)C[C@](C)(NC[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C(=O)O1 ZINC001460328444 1067609452 /nfs/dbraw/zinc/60/94/52/1067609452.db2.gz UNTIWNMTZNYOBD-CVDCTZTESA-N 0 0 452.378 4.534 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCCN([C@H](C)c4ccccc4F)C3=O)cs2)cc1 ZINC001460328413 1067609457 /nfs/dbraw/zinc/60/94/57/1067609457.db2.gz YPBZPJKHFXRNIY-VGSWGCGISA-N 0 0 451.567 4.669 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCc4ccc(F)cc4[C@H](C)C3)n2)c1 ZINC001460337348 1067610867 /nfs/dbraw/zinc/61/08/67/1067610867.db2.gz WPMACJZDEBALMV-OAHLLOKOSA-N 0 0 455.555 4.567 20 0 JJADRN O=C1[C@@H](N2CCN(c3cc(Cl)ccc3Cl)CC2)CCN1c1ccccc1C(F)(F)F ZINC001460340257 1067611410 /nfs/dbraw/zinc/61/14/10/1067611410.db2.gz KDEXSVGPHHJCBL-SFHVURJKSA-N 0 0 458.311 4.940 20 0 JJADRN O=C(CCc1cc(F)ccc1F)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001460340693 1067611930 /nfs/dbraw/zinc/61/19/30/1067611930.db2.gz KLAKJILTNSVZCS-UHFFFAOYSA-N 0 0 456.302 4.707 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c1C ZINC001460340954 1067611964 /nfs/dbraw/zinc/61/19/64/1067611964.db2.gz ANVKKLVUZXPRPM-NYHFZMIOSA-N 0 0 459.468 4.810 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC/C=C/c1ccc(Br)cc1 ZINC001460347624 1067613669 /nfs/dbraw/zinc/61/36/69/1067613669.db2.gz ZBEUYSVXTCKACX-SNAWJCMRSA-N 0 0 450.332 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCc3c(Cl)cccc3-n3ccnc3)CC2)CC1 ZINC001460350649 1067614514 /nfs/dbraw/zinc/61/45/14/1067614514.db2.gz VBPWXXKYNZKOEK-UHFFFAOYSA-N 0 0 458.990 4.569 20 0 JJADRN COCCCOc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)cn1 ZINC001460351731 1067615054 /nfs/dbraw/zinc/61/50/54/1067615054.db2.gz RNVRFHWNONKPHN-UHFFFAOYSA-N 0 0 455.780 4.620 20 0 JJADRN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460352958 1067615107 /nfs/dbraw/zinc/61/51/07/1067615107.db2.gz FFTMWCAZJXTVPS-ZDUSSCGKSA-N 0 0 458.842 4.804 20 0 JJADRN CCO[C@@H]1CN(Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460353014 1067615417 /nfs/dbraw/zinc/61/54/17/1067615417.db2.gz TXPSNZAZWQFEMF-NFBKMPQASA-N 0 0 476.017 4.676 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC001460355882 1067615820 /nfs/dbraw/zinc/61/58/20/1067615820.db2.gz DETLOAXOEBNTKS-RUZDIDTESA-N 0 0 457.526 4.946 20 0 JJADRN Cc1ccc(I)cc1C(=O)O[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001460355995 1067616339 /nfs/dbraw/zinc/61/63/39/1067616339.db2.gz GKZRKNWFEXXZNF-CYBMUJFWSA-N 0 0 450.251 4.842 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC001460355884 1067616402 /nfs/dbraw/zinc/61/64/02/1067616402.db2.gz DETLOAXOEBNTKS-VWLOTQADSA-N 0 0 457.526 4.946 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCN1CCOC[C@H]1c1ccc(Br)cc1 ZINC001460359086 1067617825 /nfs/dbraw/zinc/61/78/25/1067617825.db2.gz GUJTTXHQJVMZRP-SFHVURJKSA-N 0 0 453.764 4.513 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C[C@H](O)c1ccccc1Br ZINC001460364785 1067619032 /nfs/dbraw/zinc/61/90/32/1067619032.db2.gz QXFWFGYEUDIKND-FASAQXTFSA-N 0 0 455.190 4.707 20 0 JJADRN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001460363759 1067619130 /nfs/dbraw/zinc/61/91/30/1067619130.db2.gz QDBNDWUXTHBXLP-OAQYLSRUSA-N 0 0 450.410 4.782 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC001460369563 1067620020 /nfs/dbraw/zinc/62/00/20/1067620020.db2.gz OXSPARDPHJOXCE-LBPRGKRZSA-N 0 0 453.823 4.843 20 0 JJADRN Brc1csc(-c2noc(CN3CCOc4cc(Br)ccc43)n2)c1 ZINC001460370410 1067620572 /nfs/dbraw/zinc/62/05/72/1067620572.db2.gz TVFBVJPGCDDHSF-UHFFFAOYSA-N 0 0 457.147 4.722 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cccc(OCc3cccs3)c2)C1=O ZINC001460376339 1067621318 /nfs/dbraw/zinc/62/13/18/1067621318.db2.gz OIOBSPLKBDJBFH-SBUREZEXSA-N 0 0 452.551 4.948 20 0 JJADRN Cc1sc(Br)c(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1C ZINC001460378217 1067622103 /nfs/dbraw/zinc/62/21/03/1067622103.db2.gz RXKSAOXUMFILRO-BLLLJJGKSA-N 0 0 453.377 4.749 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)ccc1F ZINC001460379503 1067622530 /nfs/dbraw/zinc/62/25/30/1067622530.db2.gz AXGXKPVNSBUAON-MRXNPFEDSA-N 0 0 458.477 4.553 20 0 JJADRN CCOc1cc(Br)c(CC(=O)OCc2nc(OC)c(C)cc2C)cc1OCC ZINC001460382174 1067622902 /nfs/dbraw/zinc/62/29/02/1067622902.db2.gz RVKILDXJFUBVGX-UHFFFAOYSA-N 0 0 452.345 4.553 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001460385057 1067623303 /nfs/dbraw/zinc/62/33/03/1067623303.db2.gz QPARZAWRUGOUCL-GDLZYMKVSA-N 0 0 459.511 4.673 20 0 JJADRN COc1cc(I)ccc1NC(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001460386800 1067623685 /nfs/dbraw/zinc/62/36/85/1067623685.db2.gz ZKGDKHYKONABQR-LJQANCHMSA-N 0 0 450.320 4.997 20 0 JJADRN O=C(C[C@H]1CCC2(CCOCC2)CO1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460393327 1067625365 /nfs/dbraw/zinc/62/53/65/1067625365.db2.gz QOPZQBQGTTWQDF-OAQYLSRUSA-N 0 0 459.384 4.743 20 0 JJADRN CCOC(=O)[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC001460394929 1067625696 /nfs/dbraw/zinc/62/56/96/1067625696.db2.gz ZTUNXMGQJNAIMI-KMDXXIMOSA-N 0 0 468.594 4.682 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c(OC)c1 ZINC001460393427 1067625773 /nfs/dbraw/zinc/62/57/73/1067625773.db2.gz RPJIOSIXZMMGJI-UHFFFAOYSA-N 0 0 453.922 4.687 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001460396309 1067626465 /nfs/dbraw/zinc/62/64/65/1067626465.db2.gz LRDIVSUUYUKYKD-KSEOMHKRSA-N 0 0 455.396 4.640 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC001460396783 1067626548 /nfs/dbraw/zinc/62/65/48/1067626548.db2.gz WZXNTVSGHOOTQQ-UHFFFAOYSA-N 0 0 458.518 4.648 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)c1 ZINC001460398384 1067626603 /nfs/dbraw/zinc/62/66/03/1067626603.db2.gz BYSUFOKFJQVBRG-AWEZNQCLSA-N 0 0 451.626 4.916 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404812 1067627811 /nfs/dbraw/zinc/62/78/11/1067627811.db2.gz DAZVZJRWSDMOKH-NQIIRXRSSA-N 0 0 459.631 4.764 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccc2ccccc2c1 ZINC001460411887 1067630150 /nfs/dbraw/zinc/63/01/50/1067630150.db2.gz SKVUQPMCESIDOP-CVEARBPZSA-N 0 0 455.480 4.922 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCO[C@](C)(C2CC2)C1 ZINC001460414067 1067630840 /nfs/dbraw/zinc/63/08/40/1067630840.db2.gz VQVRFTXIYUIUQQ-VWLOTQADSA-N 0 0 456.608 4.648 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCS1 ZINC001546116139 1067631373 /nfs/dbraw/zinc/63/13/73/1067631373.db2.gz IUAHPTWBMMWVDK-ICSRJNTNSA-N 0 0 458.676 4.688 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001460417105 1067631745 /nfs/dbraw/zinc/63/17/45/1067631745.db2.gz KMRSOHCETZQUEK-KDOFPFPSSA-N 0 0 455.555 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3ncsc3Br)ccc21 ZINC001460427071 1067632640 /nfs/dbraw/zinc/63/26/40/1067632640.db2.gz JLEYLDINMGXRJO-UHFFFAOYSA-N 0 0 452.374 4.523 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC001460426780 1067632727 /nfs/dbraw/zinc/63/27/27/1067632727.db2.gz DVWOPLNPWKMLJF-IEGUWTFLSA-N 0 0 470.635 4.983 20 0 JJADRN O[C@]1(c2ccccc2)CCCN(CCOc2c(Br)cccc2Br)C1 ZINC001460427082 1067632763 /nfs/dbraw/zinc/63/27/63/1067632763.db2.gz FXXJUAFMHFJFFX-LJQANCHMSA-N 0 0 455.190 4.574 20 0 JJADRN Cc1nc([C@](C)(NC(=O)c2cccc(OCc3ccccc3Br)c2)C2CC2)no1 ZINC001460424948 1067632838 /nfs/dbraw/zinc/63/28/38/1067632838.db2.gz SKCCYAQXLAUGMP-JOCHJYFZSA-N 0 0 456.340 4.775 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001460430141 1067633173 /nfs/dbraw/zinc/63/31/73/1067633173.db2.gz DFBPWHOHHXBUBK-HTAPYJJXSA-N 0 0 456.505 4.827 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)c(C)c1 ZINC001460432035 1067633661 /nfs/dbraw/zinc/63/36/61/1067633661.db2.gz JJHOTOGEEDFVKM-UHFFFAOYSA-N 0 0 451.880 4.659 20 0 JJADRN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001460434761 1067634296 /nfs/dbraw/zinc/63/42/96/1067634296.db2.gz VQXAUSJSTZSUNB-LBPRGKRZSA-N 0 0 450.322 4.791 20 0 JJADRN C[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001460435780 1067634394 /nfs/dbraw/zinc/63/43/94/1067634394.db2.gz IFKRGLJECXMPFW-QGZVFWFLSA-N 0 0 453.539 4.800 20 0 JJADRN COc1ccc(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)c(Cl)c1OC ZINC001460436035 1067634862 /nfs/dbraw/zinc/63/48/62/1067634862.db2.gz UAUKRUIYNXHKDG-UHFFFAOYSA-N 0 0 452.001 4.601 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C(F)(F)F ZINC001460440533 1067635396 /nfs/dbraw/zinc/63/53/96/1067635396.db2.gz AYBSGFLSJVJEBQ-MOPGFXCFSA-N 0 0 450.505 4.669 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H]3c4cccc(Br)c4CC3(C)C)CC2=O)ccc1F ZINC001460440996 1067635465 /nfs/dbraw/zinc/63/54/65/1067635465.db2.gz AQFIZJSPJUUOCR-QKKBWIMNSA-N 0 0 459.359 4.689 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C(F)(F)F ZINC001460440537 1067635475 /nfs/dbraw/zinc/63/54/75/1067635475.db2.gz AYBSGFLSJVJEBQ-RBUKOAKNSA-N 0 0 450.505 4.669 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3c4cccc(Br)c4CC3(C)C)CC2=O)ccc1F ZINC001460441015 1067635480 /nfs/dbraw/zinc/63/54/80/1067635480.db2.gz AQFIZJSPJUUOCR-SZNDQCEHSA-N 0 0 459.359 4.689 20 0 JJADRN O=C(CN1CCC([C@H]2CCCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460441927 1067635602 /nfs/dbraw/zinc/63/56/02/1067635602.db2.gz DFSCRQKYFMHZEC-HSZRJFAPSA-N 0 0 455.986 4.812 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001460443847 1067635618 /nfs/dbraw/zinc/63/56/18/1067635618.db2.gz KEEOYONNDOPDAB-JHHPEZKVSA-N 0 0 459.999 4.732 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441056 1067635780 /nfs/dbraw/zinc/63/57/80/1067635780.db2.gz AQVRWZBFUNXXAX-SFHVURJKSA-N 0 0 450.808 4.870 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CCN(Cc3ccccc3)C(=O)C1(C)C)ccc2Br ZINC001460443901 1067635793 /nfs/dbraw/zinc/63/57/93/1067635793.db2.gz HYMGCIABSWHDBH-UHFFFAOYSA-N 0 0 455.352 4.767 20 0 JJADRN CCc1cccc(C)c1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450028 1067636645 /nfs/dbraw/zinc/63/66/45/1067636645.db2.gz JWMTVDDQJFSAAH-MSOLQXFVSA-N 0 0 457.537 4.521 20 0 JJADRN O=C(c1nc(F)ccc1Br)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001460451577 1067637080 /nfs/dbraw/zinc/63/70/80/1067637080.db2.gz KNRCNCHQOPPBIT-CYBMUJFWSA-N 0 0 456.153 4.983 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN[C@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001460453269 1067637084 /nfs/dbraw/zinc/63/70/84/1067637084.db2.gz WCMGISBWAMNAKR-CQSZACIVSA-N 0 0 455.343 4.619 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN[C@@H](C(F)F)C1CCCCC1 ZINC001460460073 1067637979 /nfs/dbraw/zinc/63/79/79/1067637979.db2.gz GCPJQFAEUNDXDV-QGZVFWFLSA-N 0 0 453.555 4.832 20 0 JJADRN C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001460459896 1067637987 /nfs/dbraw/zinc/63/79/87/1067637987.db2.gz QBRKNDRLBQDQJY-DRMXPCRNSA-N 0 0 454.636 4.522 20 0 JJADRN Brc1cccc([C@H]2COCCN2Cc2ccc(I)cc2)c1 ZINC001460459374 1067638079 /nfs/dbraw/zinc/63/80/79/1067638079.db2.gz XOJKMKQXQRKKBX-QGZVFWFLSA-N 0 0 458.137 4.627 20 0 JJADRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC001460460911 1067638567 /nfs/dbraw/zinc/63/85/67/1067638567.db2.gz SAAYSBYMPZHKCV-SIKLNZKXSA-N 0 0 456.311 4.769 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001460465640 1067639069 /nfs/dbraw/zinc/63/90/69/1067639069.db2.gz XYJAXGSVHKHUTE-GBXCKJPGSA-N 0 0 455.913 4.734 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001460465649 1067639077 /nfs/dbraw/zinc/63/90/77/1067639077.db2.gz XYJAXGSVHKHUTE-RDPSFJRHSA-N 0 0 455.913 4.734 20 0 JJADRN COc1ccc(Cl)cc1CC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001460466425 1067639098 /nfs/dbraw/zinc/63/90/98/1067639098.db2.gz ZNMHYJGAIYDLMQ-HYBUGGRVSA-N 0 0 455.913 4.598 20 0 JJADRN CC(C)c1ccc(CN(C(=O)CN2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC001460466317 1067639150 /nfs/dbraw/zinc/63/91/50/1067639150.db2.gz ZSMHXEDIDKJSEI-YKSBVNFPSA-N 0 0 457.659 4.926 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)NC1(Cc2ccccc2Br)CC1 ZINC001460470216 1067639910 /nfs/dbraw/zinc/63/99/10/1067639910.db2.gz HFZUKCBUILIDEH-ZDUSSCGKSA-N 0 0 453.174 4.870 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)NC1(Cc2ccccc2Br)CC1 ZINC001460472075 1067639933 /nfs/dbraw/zinc/63/99/33/1067639933.db2.gz OORLHEKCEANSPJ-UHFFFAOYSA-N 0 0 453.336 4.907 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)NC1(Cc2ccccc2Br)CC1 ZINC001460470201 1067640009 /nfs/dbraw/zinc/64/00/09/1067640009.db2.gz HDAQIRFITLMQTF-UHFFFAOYSA-N 0 0 452.274 4.709 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2s1 ZINC001460474783 1067640337 /nfs/dbraw/zinc/64/03/37/1067640337.db2.gz UABLEGRZQBLLEK-UHFFFAOYSA-N 0 0 457.558 4.639 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)NC2(Cc3ccccc3Br)CC2)cc1 ZINC001460473785 1067640410 /nfs/dbraw/zinc/64/04/10/1067640410.db2.gz VDCSOQPGZLCSNV-UHFFFAOYSA-N 0 0 450.398 4.528 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1CCC(=O)Nc1cccc(Br)c1 ZINC001460474519 1067640535 /nfs/dbraw/zinc/64/05/35/1067640535.db2.gz CPBJWHVLTOBMAQ-OAQYLSRUSA-N 0 0 459.384 4.719 20 0 JJADRN O=C(CN[C@@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001460474723 1067640851 /nfs/dbraw/zinc/64/08/51/1067640851.db2.gz WBZGPKDFQALKKU-GMAHTHKFSA-N 0 0 455.385 4.791 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ncc(Br)c(C)c1I ZINC001460475722 1067640884 /nfs/dbraw/zinc/64/08/84/1067640884.db2.gz CUUVYQXDRPEGOF-MNOVXSKESA-N 0 0 451.146 4.912 20 0 JJADRN O=C(NCc1cccc(N2CCOCC2)c1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001460476841 1067641321 /nfs/dbraw/zinc/64/13/21/1067641321.db2.gz LPRRPWIKYLXDNK-DEOSSOPVSA-N 0 0 454.542 4.951 20 0 JJADRN CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCCNC(=O)[C@H]3Cc3ccccc3)cn2)cc1 ZINC001460476485 1067641436 /nfs/dbraw/zinc/64/14/36/1067641436.db2.gz HMVHRLTYWLHIHR-XMMPIXPASA-N 0 0 457.574 4.745 20 0 JJADRN Cc1c(Br)cnc(NC(=O)[C@H]2CCCCC2(C)C)c1I ZINC001460480795 1067642226 /nfs/dbraw/zinc/64/22/26/1067642226.db2.gz UKWGDNWTASSZRQ-SNVBAGLBSA-N 0 0 451.146 4.912 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(Cl)c(-n4cccc4)cc3OC)nc21 ZINC001460481194 1067642280 /nfs/dbraw/zinc/64/22/80/1067642280.db2.gz DPBZLIWUICAHCZ-CYBMUJFWSA-N 0 0 459.955 4.831 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1)C1CC1 ZINC001460480886 1067642732 /nfs/dbraw/zinc/64/27/32/1067642732.db2.gz RMUGTVBHAMJXJE-UHFFFAOYSA-N 0 0 457.303 4.542 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)Cc3cc(Cl)ccc3Br)nc21 ZINC001460487401 1067644108 /nfs/dbraw/zinc/64/41/08/1067644108.db2.gz XFRWRUKHXOJVTL-GFCCVEGCSA-N 0 0 457.777 4.723 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(Oc4cccc(OC)c4)cn3)nc21 ZINC001460486336 1067644116 /nfs/dbraw/zinc/64/41/16/1067644116.db2.gz RPGPXQIUXCKBLM-KRWDZBQOSA-N 0 0 453.520 4.574 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(Br)c(SC)c3)nc21 ZINC001460486706 1067644154 /nfs/dbraw/zinc/64/41/54/1067644154.db2.gz TXHUHQFSOYAQNR-NSHDSACASA-N 0 0 455.399 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001460501596 1067645723 /nfs/dbraw/zinc/64/57/23/1067645723.db2.gz VUZGILQPUKEWPS-IRLDBZIGSA-N 0 0 458.505 4.829 20 0 JJADRN CCc1ccc([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)C2)cc1 ZINC001460505637 1067646172 /nfs/dbraw/zinc/64/61/72/1067646172.db2.gz WLDKFTIZJXSFNQ-UNMCSNQZSA-N 0 0 455.396 4.519 20 0 JJADRN CCc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)C2)cc1 ZINC001460505620 1067646178 /nfs/dbraw/zinc/64/61/78/1067646178.db2.gz WLDKFTIZJXSFNQ-IRLDBZIGSA-N 0 0 455.396 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(Cc1noc(-c3cccc(Cl)c3Cl)n1)C2 ZINC001460513718 1067647103 /nfs/dbraw/zinc/64/71/03/1067647103.db2.gz GFOPZOHILYENMU-ZSEKCTLFSA-N 0 0 453.370 4.923 20 0 JJADRN COc1ccc(COCCN2CCc3cc(Br)c(Br)cc3C2)cc1 ZINC001460512811 1067647172 /nfs/dbraw/zinc/64/71/72/1067647172.db2.gz VCIDULKUXUHLAA-UHFFFAOYSA-N 0 0 455.190 4.795 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN(C)c3ccc(N4CCOCC4)cc3)n2)c(C)c1 ZINC001460514552 1067647461 /nfs/dbraw/zinc/64/74/61/1067647461.db2.gz LUSWGRLEGVFQBK-UHFFFAOYSA-N 0 0 450.608 4.647 20 0 JJADRN COc1ccc2c(c1)N(CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CCC2 ZINC001460516064 1067647516 /nfs/dbraw/zinc/64/75/16/1067647516.db2.gz VTXQXRDOKMHWQO-VWLOTQADSA-N 0 0 450.604 4.866 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC001460521379 1067648100 /nfs/dbraw/zinc/64/81/00/1067648100.db2.gz AMURDIUOBSEJFN-LBPRGKRZSA-N 0 0 451.169 4.653 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)OCc2cn(C)nc2C(F)F)cc1 ZINC001460519308 1067648203 /nfs/dbraw/zinc/64/82/03/1067648203.db2.gz HLVRSDJHUARBJJ-UHFFFAOYSA-N 0 0 452.461 4.505 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(CCOc1ccccc1C(F)(F)F)C2 ZINC001460523549 1067649181 /nfs/dbraw/zinc/64/91/81/1067649181.db2.gz MZAAWKRAIWUMMT-UHFFFAOYSA-N 0 0 450.276 4.711 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCCC34CCCC4)c2)cc1 ZINC001460526128 1067650232 /nfs/dbraw/zinc/65/02/32/1067650232.db2.gz FPPXFIULAMVPPD-QHCPKHFHSA-N 0 0 456.608 4.753 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1Cl ZINC001460526849 1067650721 /nfs/dbraw/zinc/65/07/21/1067650721.db2.gz RAYOEJSFNFKAHN-CYBMUJFWSA-N 0 0 450.764 4.822 20 0 JJADRN Cc1csc([C@H](NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)C(F)(F)F)n1 ZINC001460530488 1067651821 /nfs/dbraw/zinc/65/18/21/1067651821.db2.gz JYFWKFCKQBKXTI-INIZCTEOSA-N 0 0 458.868 4.952 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3csc(N(C)c4ccccc4)n3)c2)ccn1 ZINC001460532677 1067652188 /nfs/dbraw/zinc/65/21/88/1067652188.db2.gz KZIGTUWQCYHXAA-UHFFFAOYSA-N 0 0 459.531 4.710 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC001460543259 1067653828 /nfs/dbraw/zinc/65/38/28/1067653828.db2.gz FTBSOHQTQARRBH-WDZFZDKYSA-N 0 0 454.368 4.612 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC001460543256 1067653858 /nfs/dbraw/zinc/65/38/58/1067653858.db2.gz FTBSOHQTQARRBH-IZZDOVSWSA-N 0 0 454.368 4.612 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC001460547630 1067654609 /nfs/dbraw/zinc/65/46/09/1067654609.db2.gz SAMGFZZERDIFKX-YWZLYKJASA-N 0 0 451.489 4.536 20 0 JJADRN Fc1cccc(Cc2nnc3n2CCN(Cc2cccc(Br)c2Cl)C3)c1F ZINC001460557359 1067655764 /nfs/dbraw/zinc/65/57/64/1067655764.db2.gz JTPKCJSOANNLPJ-UHFFFAOYSA-N 0 0 453.718 4.579 20 0 JJADRN O=C(Nc1ccc(C2CCC2)cn1)c1cc(Br)ccc1I ZINC001460566602 1067657662 /nfs/dbraw/zinc/65/76/62/1067657662.db2.gz DTYVPNDRRQGQET-UHFFFAOYSA-N 0 0 457.109 4.969 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCS1 ZINC001546117377 1067658537 /nfs/dbraw/zinc/65/85/37/1067658537.db2.gz DXMOIXWNPFOMHD-QZTJIDSGSA-N 0 0 467.680 4.545 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)Cc1ccc(Br)cc1F ZINC001460577544 1067659689 /nfs/dbraw/zinc/65/96/89/1067659689.db2.gz MHPLVCYLDZOIGO-ZETCQYMHSA-N 0 0 455.196 4.743 20 0 JJADRN Cc1c(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)nnn1-c1ccccc1 ZINC001460578876 1067660282 /nfs/dbraw/zinc/66/02/82/1067660282.db2.gz FNNGJMHSJWOTNU-QGZVFWFLSA-N 0 0 457.509 4.767 20 0 JJADRN Cc1c(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)nnn1-c1ccccc1 ZINC001460578873 1067660292 /nfs/dbraw/zinc/66/02/92/1067660292.db2.gz FNNGJMHSJWOTNU-KRWDZBQOSA-N 0 0 457.509 4.767 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001460578722 1067660322 /nfs/dbraw/zinc/66/03/22/1067660322.db2.gz RHTGQVUVSCJKME-FQEVSTJZSA-N 0 0 451.885 4.503 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(OC)c2OC)CCS1 ZINC001546117417 1067660590 /nfs/dbraw/zinc/66/05/90/1067660590.db2.gz FWGPTZDZGQTZAX-UHFFFAOYSA-N 0 0 462.660 4.663 20 0 JJADRN C[C@@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(N2CCCCC2=O)cc1 ZINC001460580093 1067660613 /nfs/dbraw/zinc/66/06/13/1067660613.db2.gz ITQGNTCGFRVCPQ-CQSZACIVSA-N 0 0 458.440 4.763 20 0 JJADRN C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccc(N2CCCCC2=O)cc1 ZINC001460582111 1067661190 /nfs/dbraw/zinc/66/11/90/1067661190.db2.gz PZNDSVSNSWYYJU-CYBMUJFWSA-N 0 0 451.311 4.664 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C(=O)N=S(C)(C)=O)cc3)cc12 ZINC001460584285 1067662379 /nfs/dbraw/zinc/66/23/79/1067662379.db2.gz MOAJTUBILXRQQD-UHFFFAOYSA-N 0 0 452.561 4.516 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2F)ccn1 ZINC001460584397 1067662403 /nfs/dbraw/zinc/66/24/03/1067662403.db2.gz LIEQEIXXBFUAMI-UHFFFAOYSA-N 0 0 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PVHONBCXWGBVSV-LLBVYWAGSA-N 0 0 457.640 4.504 20 0 JJADRN COC(=O)c1cc(C(C)(C)NC(=O)c2sc3cc(Br)ccc3c2Cl)no1 ZINC001460613009 1067672595 /nfs/dbraw/zinc/67/25/95/1067672595.db2.gz MQSQLQIKPUGNBI-UHFFFAOYSA-N 0 0 457.733 4.757 20 0 JJADRN O=C(Nc1cc(C2CC2)ccn1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001460612870 1067672614 /nfs/dbraw/zinc/67/26/14/1067672614.db2.gz MGCRPZBKHXEAIM-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccncc1Oc1ccccc1 ZINC001460614373 1067673059 /nfs/dbraw/zinc/67/30/59/1067673059.db2.gz VAOUIXHHZNBAFO-UHFFFAOYSA-N 0 0 454.408 4.959 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2OCC(F)F)cs1 ZINC001460616827 1067674113 /nfs/dbraw/zinc/67/41/13/1067674113.db2.gz KKHRESCUVZNWKA-UHFFFAOYSA-N 0 0 455.870 4.775 20 0 JJADRN O=C(NC[C@@H]1CCCS(=O)(=O)C1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001460615903 1067674191 /nfs/dbraw/zinc/67/41/91/1067674191.db2.gz IHOMACZEKWQLGY-LIRRHRJNSA-N 0 0 458.432 4.768 20 0 JJADRN 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CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001460625839 1067676734 /nfs/dbraw/zinc/67/67/34/1067676734.db2.gz NONOKHUYSDKBHO-GHMZBOCLSA-N 0 0 450.479 4.528 20 0 JJADRN COCCOc1ccc(C(=O)NCC2(c3ccccc3Br)CCC2)c(Cl)c1 ZINC001460625750 1067676792 /nfs/dbraw/zinc/67/67/92/1067676792.db2.gz LNTLOKVOKDVCLE-UHFFFAOYSA-N 0 0 452.776 4.979 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)NCC1(c2ccccc2Br)CCC1)C1CC1 ZINC001460625788 1067676802 /nfs/dbraw/zinc/67/68/02/1067676802.db2.gz MIPCGRHDUUPYSL-UHFFFAOYSA-N 0 0 451.405 4.777 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1ccccc1[S@@](=O)C(F)(F)F ZINC001460627304 1067677337 /nfs/dbraw/zinc/67/73/37/1067677337.db2.gz WGVHMQJBVFTKKT-AREMUKBSSA-N 0 0 454.239 4.867 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC001460633077 1067679533 /nfs/dbraw/zinc/67/95/33/1067679533.db2.gz DWMLZTFJKSQGAQ-ZDUSSCGKSA-N 0 0 457.470 4.871 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)c(F)cc3C)C2)cc1 ZINC001460635628 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Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647631 1067685271 /nfs/dbraw/zinc/68/52/71/1067685271.db2.gz ANFMRAPGFYIENP-CLJLJLNGSA-N 0 0 452.595 4.975 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC[C@](F)(c3ccccc3)C2)c2ccccc2)cc1 ZINC001460647638 1067685328 /nfs/dbraw/zinc/68/53/28/1067685328.db2.gz ANFMRAPGFYIENP-IZZNHLLZSA-N 0 0 452.595 4.975 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001460650128 1067686746 /nfs/dbraw/zinc/68/67/46/1067686746.db2.gz USBJKCMQWYHUQN-UHFFFAOYSA-N 0 0 459.571 4.573 20 0 JJADRN NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1 ZINC001460652856 1067688025 /nfs/dbraw/zinc/68/80/25/1067688025.db2.gz WHPQPELXSTWJRM-UHFFFAOYSA-N 0 0 450.363 4.766 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)CCC3(C)C)c2)cs1 ZINC001460653268 1067688275 /nfs/dbraw/zinc/68/82/75/1067688275.db2.gz VTDCPNGWVMWYCP-UHFFFAOYSA-N 0 0 458.628 4.778 20 0 JJADRN O=C(Oc1cc(Br)cc(C(F)(F)F)c1)C1=NN(Cc2ccccc2)C(=O)CC1 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O=C(NCc1ccccc1Cn1ccnc1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001460682118 1067700200 /nfs/dbraw/zinc/70/02/00/1067700200.db2.gz SDPSBOWMENQVHA-UHFFFAOYSA-N 0 0 456.493 4.928 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC001460681973 1067700221 /nfs/dbraw/zinc/70/02/21/1067700221.db2.gz XTDASZXVAZFRKV-OAQYLSRUSA-N 0 0 451.544 4.514 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC001460683071 1067700783 /nfs/dbraw/zinc/70/07/83/1067700783.db2.gz RFVYEXJSUXLHMB-OAQYLSRUSA-N 0 0 459.587 4.626 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460683794 1067701066 /nfs/dbraw/zinc/70/10/66/1067701066.db2.gz PPMSAFINDYUTSF-SKWRMQMOSA-N 0 0 454.567 4.955 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460684478 1067701089 /nfs/dbraw/zinc/70/10/89/1067701089.db2.gz QVSDSNRNJMOZHD-UEVCKROQSA-N 0 0 454.998 4.897 20 0 JJADRN 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4.641 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731482 1067711532 /nfs/dbraw/zinc/71/15/32/1067711532.db2.gz OQKWYYDTXZWQRU-FGZHOGPDSA-N 0 0 453.371 4.704 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CC(C)(C)C)c1 ZINC001460733099 1067711816 /nfs/dbraw/zinc/71/18/16/1067711816.db2.gz YWZSMSMFHJFFCX-OAHLLOKOSA-N 0 0 453.004 4.728 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC001460734239 1067712081 /nfs/dbraw/zinc/71/20/81/1067712081.db2.gz DMAIXUMVWJGHHD-UHFFFAOYSA-N 0 0 453.123 4.822 20 0 JJADRN CCOC(=O)[C@H](CC1CC1)NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 ZINC001460737979 1067712568 /nfs/dbraw/zinc/71/25/68/1067712568.db2.gz SEMZGFUHPFBKRE-SFHVURJKSA-N 0 0 455.502 4.668 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001460738815 1067712591 /nfs/dbraw/zinc/71/25/91/1067712591.db2.gz CNXRIBCQCCTIQJ-KRWDZBQOSA-N 0 0 454.615 4.969 20 0 JJADRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001460740880 1067712873 /nfs/dbraw/zinc/71/28/73/1067712873.db2.gz OKTBNQIIZQSOPC-SBUREZEXSA-N 0 0 452.551 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001460744083 1067713770 /nfs/dbraw/zinc/71/37/70/1067713770.db2.gz GFKPRXBEMBBUCF-DABHTEOTSA-N 0 0 452.517 4.716 20 0 JJADRN COc1ccc2nc(CN3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750787 1067715541 /nfs/dbraw/zinc/71/55/41/1067715541.db2.gz VASYKSNRVXQPKO-XLIONFOSSA-N 0 0 457.619 4.652 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C[C@@H]1CC ZINC001460751849 1067715943 /nfs/dbraw/zinc/71/59/43/1067715943.db2.gz AKVZGKSWKZTJTD-AVRWGWEMSA-N 0 0 469.582 4.823 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)O[C@H](C)c2ncccc2Br)CC[C@H]1c1ccc(C)o1 ZINC001460756789 1067717321 /nfs/dbraw/zinc/71/73/21/1067717321.db2.gz IBEGULVMTRPBTI-KBMXLJTQSA-N 0 0 451.317 4.712 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460758178 1067717991 /nfs/dbraw/zinc/71/79/91/1067717991.db2.gz FNZDNOWPOLBACH-FYYLOGMGSA-N 0 0 452.599 4.823 20 0 JJADRN C[C@@H](OC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ncccc1Br ZINC001460759133 1067718586 /nfs/dbraw/zinc/71/85/86/1067718586.db2.gz RBGMBSSOQHBBMK-LLVKDONJSA-N 0 0 451.118 4.710 20 0 JJADRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001460765567 1067719855 /nfs/dbraw/zinc/71/98/55/1067719855.db2.gz LIWPZOCBNCWUJC-OAQYLSRUSA-N 0 0 453.970 4.904 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460766451 1067719869 /nfs/dbraw/zinc/71/98/69/1067719869.db2.gz PVZBBNRRDRRKLH-KWOQKUFVSA-N 0 0 456.627 4.971 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460772065 1067720559 /nfs/dbraw/zinc/72/05/59/1067720559.db2.gz HWEOEMVTXJTWQM-MEDUHNTESA-N 0 0 459.171 4.640 20 0 JJADRN 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ZINC001460805237 1067727255 /nfs/dbraw/zinc/72/72/55/1067727255.db2.gz WMOBZCHJYSWMEE-XMMPIXPASA-N 0 0 459.428 4.699 20 0 JJADRN Cc1nn(C)c(=O)c(-c2nc(CN3CCC(c4nc(C(C)(C)C)cs4)CC3)cs2)c1C ZINC001460805290 1067727534 /nfs/dbraw/zinc/72/75/34/1067727534.db2.gz CNUTVZMZPLMZHB-UHFFFAOYSA-N 0 0 457.669 4.654 20 0 JJADRN O=C(Nc1ccc(SC(F)(F)F)nc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001460813241 1067728503 /nfs/dbraw/zinc/72/85/03/1067728503.db2.gz OBJBHGLSIPILPA-UHFFFAOYSA-N 0 0 457.433 4.742 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)c2)c1 ZINC001460816185 1067728953 /nfs/dbraw/zinc/72/89/53/1067728953.db2.gz NBWBXWYUOOEAIG-QHCPKHFHSA-N 0 0 455.620 4.741 20 0 JJADRN Cn1cc(C(=O)N(CCCCc2ccccc2)c2ccccc2)c(I)n1 ZINC001460816861 1067728995 /nfs/dbraw/zinc/72/89/95/1067728995.db2.gz UARDQKWSSNUEFO-UHFFFAOYSA-N 0 0 459.331 4.694 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br)C1CCCC1 ZINC001460820917 1067729586 /nfs/dbraw/zinc/72/95/86/1067729586.db2.gz WGVKHNZIXKGQNK-LJQANCHMSA-N 0 0 459.450 4.568 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3cccc(F)c3S(C)(=O)=O)c3c(C)noc3n2)c(C)s1 ZINC001460829491 1067731078 /nfs/dbraw/zinc/73/10/78/1067731078.db2.gz JUAPPEOKJWVXBK-UHFFFAOYSA-N 0 0 459.524 4.671 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)n1 ZINC001460831006 1067731122 /nfs/dbraw/zinc/73/11/22/1067731122.db2.gz NDPOTAIJPCXLJF-OALUTQOASA-N 0 0 458.603 4.897 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCc2cc(F)c(Br)cc2C1 ZINC001460829415 1067731184 /nfs/dbraw/zinc/73/11/84/1067731184.db2.gz UTNAFFHMLVNWGL-NSHDSACASA-N 0 0 456.153 4.736 20 0 JJADRN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(CSc4ccc(F)cc4)cc3)ccc21 ZINC001460842411 1067732813 /nfs/dbraw/zinc/73/28/13/1067732813.db2.gz BHDFKBUYJWJOOW-UHFFFAOYSA-N 0 0 456.564 4.692 20 0 JJADRN CCC1(CC)CN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCS1 ZINC001546119464 1067733083 /nfs/dbraw/zinc/73/30/83/1067733083.db2.gz DFCVBBMRUWYMMF-UHFFFAOYSA-N 0 0 499.725 4.638 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CCS1 ZINC001546119471 1067733359 /nfs/dbraw/zinc/73/33/59/1067733359.db2.gz DOXRXMJCXQXAKC-XMMPIXPASA-N 0 0 485.742 4.532 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC001460847321 1067734316 /nfs/dbraw/zinc/73/43/16/1067734316.db2.gz GIPBIUNNXZTVJE-HNNXBMFYSA-N 0 0 457.398 4.997 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001460847333 1067734322 /nfs/dbraw/zinc/73/43/22/1067734322.db2.gz GIPBIUNNXZTVJE-OAHLLOKOSA-N 0 0 457.398 4.997 20 0 JJADRN CC(C)c1nsc(CN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC001460848886 1067734662 /nfs/dbraw/zinc/73/46/62/1067734662.db2.gz ZYBQHWTXGMDELW-UHFFFAOYSA-N 0 0 458.628 4.826 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1)c1ccccc1 ZINC001460855817 1067735485 /nfs/dbraw/zinc/73/54/85/1067735485.db2.gz TWIMYXUIHNACIX-SANMLTNESA-N 0 0 457.574 4.992 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001460859642 1067736049 /nfs/dbraw/zinc/73/60/49/1067736049.db2.gz FVNXGFPNESCMFT-HSZRJFAPSA-N 0 0 458.352 4.635 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(Cc2c(C)cc(C)nc2OCc2ccccc2)CC1 ZINC001460861243 1067736372 /nfs/dbraw/zinc/73/63/72/1067736372.db2.gz RCSRBGZEBJMHJE-UHFFFAOYSA-N 0 0 450.501 4.985 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2CCCc3c(Br)c(F)cc(F)c32)c(C)n1 ZINC001460864206 1067737200 /nfs/dbraw/zinc/73/72/00/1067737200.db2.gz DNSYNBDYNMMTDC-UHFFFAOYSA-N 0 0 456.356 4.768 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2c(Br)c(F)cc(F)c21 ZINC001460865470 1067737530 /nfs/dbraw/zinc/73/75/30/1067737530.db2.gz IHFORWROBLPUHL-UHFFFAOYSA-N 0 0 454.296 4.751 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC001460868110 1067737926 /nfs/dbraw/zinc/73/79/26/1067737926.db2.gz RJTYYJFGJAFDHC-PZJWPPBQSA-N 0 0 474.914 4.866 20 0 JJADRN COC(=O)c1cnc([C@H]2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC001460867650 1067737951 /nfs/dbraw/zinc/73/79/51/1067737951.db2.gz OGPVZSSOFOQFEO-AAEUAGOBSA-N 0 0 452.458 4.549 20 0 JJADRN CCOC(=O)Cc1cnc(N(C)C(=O)CCN2c3ccccc3Sc3ccccc32)s1 ZINC001460867557 1067738010 /nfs/dbraw/zinc/73/80/10/1067738010.db2.gz YXTLACYPSSHKBL-UHFFFAOYSA-N 0 0 453.589 4.905 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C1(c2ccccc2Br)CC1 ZINC001460869799 1067738728 /nfs/dbraw/zinc/73/87/28/1067738728.db2.gz XIECEAIJKHUTAP-QFBILLFUSA-N 0 0 467.329 4.627 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001460869453 1067738746 /nfs/dbraw/zinc/73/87/46/1067738746.db2.gz BEPDNKXEEBBPEB-CQSZACIVSA-N 0 0 455.331 4.627 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869420 1067738754 /nfs/dbraw/zinc/73/87/54/1067738754.db2.gz HZGXBFLQRZUIAR-IBGZPJMESA-N 0 0 456.406 4.895 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(C)(C)O)c2)CCS1 ZINC001546119752 1067739023 /nfs/dbraw/zinc/73/90/23/1067739023.db2.gz OUFRVLXAAAKRGR-UHFFFAOYSA-N 0 0 465.667 4.652 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CCS1 ZINC001546119756 1067739038 /nfs/dbraw/zinc/73/90/38/1067739038.db2.gz OXSJGVGOJHWGMN-UHFFFAOYSA-N 0 0 482.698 4.625 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN[C@H](C(=O)OC(C)(C)C)c3cccc(C)c3)sc2c1 ZINC001460873488 1067739579 /nfs/dbraw/zinc/73/95/79/1067739579.db2.gz YIFXYNPWCWUDIM-NRFANRHFSA-N 0 0 455.580 4.615 20 0 JJADRN CC1(C)C[C@H](C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c2ccccc2O1 ZINC001460874422 1067739985 /nfs/dbraw/zinc/73/99/85/1067739985.db2.gz XNTSAWSECVQNKI-NRFANRHFSA-N 0 0 457.412 4.875 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)Oc4ccc(Cl)c(F)c4F)cnc32)c(OC)c1 ZINC001460875392 1067740353 /nfs/dbraw/zinc/74/03/53/1067740353.db2.gz DQGFWPBTVADSDW-UHFFFAOYSA-N 0 0 459.836 4.648 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc(F)c1Br ZINC001460877538 1067740418 /nfs/dbraw/zinc/74/04/18/1067740418.db2.gz ZLBXPUGVEPUIAS-GFCCVEGCSA-N 0 0 451.283 4.727 20 0 JJADRN COCC1CCC(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 ZINC001460878658 1067740879 /nfs/dbraw/zinc/74/08/79/1067740879.db2.gz GOAJSHVNLLVDMF-UHFFFAOYSA-N 0 0 454.368 4.994 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2(C)C)CCS1 ZINC001546119791 1067741421 /nfs/dbraw/zinc/74/14/21/1067741421.db2.gz QAWVZRKWZKRURT-IBGZPJMESA-N 0 0 462.733 4.783 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@@H](c2ccccc2)C1 ZINC001460883695 1067742238 /nfs/dbraw/zinc/74/22/38/1067742238.db2.gz VKOBCLPOPRTVLG-WBAXXEDZSA-N 0 0 450.398 4.555 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC001460883692 1067742271 /nfs/dbraw/zinc/74/22/71/1067742271.db2.gz VKOBCLPOPRTVLG-QGTPRVQTSA-N 0 0 450.398 4.555 20 0 JJADRN CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)C1CCN(CC(F)(F)F)CC1 ZINC001460883972 1067742386 /nfs/dbraw/zinc/74/23/86/1067742386.db2.gz AGISLHJWYPAFAC-UHFFFAOYSA-N 0 0 451.436 4.928 20 0 JJADRN O=C(CN[C@@H]([C@@H]1CCOC1)C(F)(F)F)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460885487 1067742650 /nfs/dbraw/zinc/74/26/50/1067742650.db2.gz BWJUVIANLMOIJR-BMIGLBTASA-N 0 0 454.301 4.612 20 0 JJADRN O=C(CN[C@@H]([C@H]1CCOC1)C(F)(F)F)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460885490 1067742690 /nfs/dbraw/zinc/74/26/90/1067742690.db2.gz BWJUVIANLMOIJR-BONVTDFDSA-N 0 0 454.301 4.612 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)c(F)c2F)c1)c1ccccc1 ZINC001460886495 1067742996 /nfs/dbraw/zinc/74/29/96/1067742996.db2.gz YQVOSDNQGKKMJK-ZDUSSCGKSA-N 0 0 451.878 4.877 20 0 JJADRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001460887572 1067743435 /nfs/dbraw/zinc/74/34/35/1067743435.db2.gz RSDTVWCYLGEAFO-DEOSSOPVSA-N 0 0 458.599 4.605 20 0 JJADRN CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CCN(CC(F)(F)F)CC1 ZINC001460887139 1067743496 /nfs/dbraw/zinc/74/34/96/1067743496.db2.gz PTFDOCOPADYTKE-UHFFFAOYSA-N 0 0 450.379 4.944 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001460889364 1067743904 /nfs/dbraw/zinc/74/39/04/1067743904.db2.gz KXUOFTWDUTXFJN-JKSUJKDBSA-N 0 0 451.792 4.603 20 0 JJADRN O=C(CN1CCC[C@@](O)(c2ccc(Br)cc2)C1)Nc1cccc(Cl)c1Cl ZINC001460889641 1067744243 /nfs/dbraw/zinc/74/42/43/1067744243.db2.gz OBVSQRGIMNAMFZ-IBGZPJMESA-N 0 0 458.183 4.678 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CCS1 ZINC001546119978 1067744775 /nfs/dbraw/zinc/74/47/75/1067744775.db2.gz XHRGTBZWPRFHSI-UHFFFAOYSA-N 0 0 482.698 4.583 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001460893045 1067744787 /nfs/dbraw/zinc/74/47/87/1067744787.db2.gz VUEDODZAHBYTLT-MDOVXXIYSA-N 0 0 457.384 4.737 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCCc3c(Cl)ccc(Cl)c32)c1 ZINC001460894019 1067745070 /nfs/dbraw/zinc/74/50/70/1067745070.db2.gz FBBKKKSWAMLDSL-UHFFFAOYSA-N 0 0 455.407 4.804 20 0 JJADRN CC1(C)CN(Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC001460895759 1067745158 /nfs/dbraw/zinc/74/51/58/1067745158.db2.gz LUQMSADKOZZHFS-GXTWGEPZSA-N 0 0 455.194 4.871 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3OC)n2CC2(SC)CCOCC2)CCS1 ZINC001546120001 1067745257 /nfs/dbraw/zinc/74/52/57/1067745257.db2.gz YSEPYFYPLDHSAT-UHFFFAOYSA-N 0 0 490.739 4.902 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)c1ccc(F)c(Br)c1 ZINC001460898110 1067745439 /nfs/dbraw/zinc/74/54/39/1067745439.db2.gz OWRLJXGRMUBZLD-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001460898780 1067745528 /nfs/dbraw/zinc/74/55/28/1067745528.db2.gz ROFBNUSWGKJBHV-HNNXBMFYSA-N 0 0 456.274 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)C1(C)C ZINC001460900404 1067745827 /nfs/dbraw/zinc/74/58/27/1067745827.db2.gz BKJQJZQEXSSBDD-SFHVURJKSA-N 0 0 451.995 4.964 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001460904678 1067745844 /nfs/dbraw/zinc/74/58/44/1067745844.db2.gz ISZUFLDBVCPHEU-SUMWQHHRSA-N 0 0 457.384 4.671 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001460906078 1067745900 /nfs/dbraw/zinc/74/59/00/1067745900.db2.gz LEVWKVVOOFGMGO-GXTWGEPZSA-N 0 0 457.294 4.605 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001460910100 1067746143 /nfs/dbraw/zinc/74/61/43/1067746143.db2.gz CFSWEKWLKHLNBH-HKUYNNGSSA-N 0 0 450.398 4.651 20 0 JJADRN CCS(=O)(=O)CCCNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl ZINC001460910273 1067746245 /nfs/dbraw/zinc/74/62/45/1067746245.db2.gz CJLBCMYYWPUSAG-UHFFFAOYSA-N 0 0 451.997 4.933 20 0 JJADRN C[C@@](CO)(NCC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC001460912689 1067746895 /nfs/dbraw/zinc/74/68/95/1067746895.db2.gz WBJUIABPIRIAIF-QHCPKHFHSA-N 0 0 455.352 4.677 20 0 JJADRN Cc1ccc(OC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC001460911563 1067746964 /nfs/dbraw/zinc/74/69/64/1067746964.db2.gz CYCSJVHBCSEPAP-UHFFFAOYSA-N 0 0 451.953 4.519 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001460919106 1067747963 /nfs/dbraw/zinc/74/79/63/1067747963.db2.gz DOCXOGUVDBIQCC-LBPRGKRZSA-N 0 0 458.506 4.589 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nccc(C(F)(F)F)n2)cc1C ZINC001460922192 1067748795 /nfs/dbraw/zinc/74/87/95/1067748795.db2.gz GDUBOFKXMGBQPA-UHFFFAOYSA-N 0 0 451.452 4.895 20 0 JJADRN CN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001460923146 1067748863 /nfs/dbraw/zinc/74/88/63/1067748863.db2.gz ZKJSDGAIBIWRSO-GIWBLDEGSA-N 0 0 454.998 4.752 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC001460923887 1067749162 /nfs/dbraw/zinc/74/91/62/1067749162.db2.gz PHCQAAOQGOKHBK-HXUWFJFHSA-N 0 0 459.359 4.712 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001460931597 1067750446 /nfs/dbraw/zinc/75/04/46/1067750446.db2.gz CCILFUQTWWQRMA-GOSISDBHSA-N 0 0 454.324 4.627 20 0 JJADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CC[C@@H](O)c2ccccc21 ZINC001460936554 1067750667 /nfs/dbraw/zinc/75/06/67/1067750667.db2.gz CWTOYULZGLMKDO-HXUWFJFHSA-N 0 0 450.560 4.782 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2sc(-c3ccccc3F)nc2C)c1 ZINC001460940336 1067751136 /nfs/dbraw/zinc/75/11/36/1067751136.db2.gz VKIJPELZBPGWTC-UHFFFAOYSA-N 0 0 452.960 4.635 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939749 1067751203 /nfs/dbraw/zinc/75/12/03/1067751203.db2.gz OAVHCKGJHTXVEQ-ISJRUSPKSA-N 0 0 457.640 4.972 20 0 JJADRN Cc1cc(C2(NC(=O)C3CCC(S(C)(=O)=O)CC3)CCCCC2)ccc1Br ZINC001460945791 1067751901 /nfs/dbraw/zinc/75/19/01/1067751901.db2.gz HVNRINYEZSRAKT-UHFFFAOYSA-N 0 0 456.446 4.637 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC=C(c4ccccc4)C3)c2)c1 ZINC001546120345 1067752034 /nfs/dbraw/zinc/75/20/34/1067752034.db2.gz KREOGDAARTVIPV-UHFFFAOYSA-N 0 0 452.963 4.989 20 0 JJADRN COc1cc(C2(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCCC2)ccc1C ZINC001460949957 1067752404 /nfs/dbraw/zinc/75/24/04/1067752404.db2.gz FGGMXYVTKJMGDY-SFHVURJKSA-N 0 0 458.521 4.777 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2ccco2)cc1 ZINC001460951900 1067752669 /nfs/dbraw/zinc/75/26/69/1067752669.db2.gz YTGZVWAZNMQQTJ-AUSIDOKSSA-N 0 0 452.938 4.700 20 0 JJADRN C[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1cccc(Br)c1 ZINC001460953281 1067752995 /nfs/dbraw/zinc/75/29/95/1067752995.db2.gz PIMSIMWOULRDCI-FZMZJTMJSA-N 0 0 453.299 4.515 20 0 JJADRN C[C@H](C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1cccc(Br)c1 ZINC001460953289 1067753185 /nfs/dbraw/zinc/75/31/85/1067753185.db2.gz PIMSIMWOULRDCI-SMDDNHRTSA-N 0 0 453.299 4.515 20 0 JJADRN CCOC(=O)Cc1cnc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 ZINC001460959415 1067753556 /nfs/dbraw/zinc/75/35/56/1067753556.db2.gz OSWFGYLLUCPLBL-UHFFFAOYSA-N 0 0 451.426 4.707 20 0 JJADRN CCOC(=O)Cc1cnc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)s1 ZINC001460964466 1067753801 /nfs/dbraw/zinc/75/38/01/1067753801.db2.gz ZXJHKYDIFVYHGK-UHFFFAOYSA-N 0 0 458.971 4.609 20 0 JJADRN COc1ccc(CN(C)C(=O)C2(c3ccc(I)cc3)CC2)cc1Cl ZINC001460966096 1067754239 /nfs/dbraw/zinc/75/42/39/1067754239.db2.gz UHBYTPWCEIYPBN-UHFFFAOYSA-N 0 0 455.723 4.643 20 0 JJADRN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001460965744 1067754309 /nfs/dbraw/zinc/75/43/09/1067754309.db2.gz FDIOGAXQIAJRIX-OAHLLOKOSA-N 0 0 459.377 4.526 20 0 JJADRN COC(=O)[C@@]1(NCC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H](C)c2ccccc21 ZINC001460969255 1067754633 /nfs/dbraw/zinc/75/46/33/1067754633.db2.gz XCOJLKISXPBCGG-NFQMXDRXSA-N 0 0 450.579 4.591 20 0 JJADRN COC(=O)[C@]1(NCC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H](C)c2ccccc21 ZINC001460969237 1067754668 /nfs/dbraw/zinc/75/46/68/1067754668.db2.gz XCOJLKISXPBCGG-DCFHFQCYSA-N 0 0 450.579 4.591 20 0 JJADRN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001460977119 1067755467 /nfs/dbraw/zinc/75/54/67/1067755467.db2.gz VSVLDWTZHRFPMS-UHFFFAOYSA-N 0 0 455.983 4.553 20 0 JJADRN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460974726 1067755476 /nfs/dbraw/zinc/75/54/76/1067755476.db2.gz PCNJTLOXEOSRAF-VVWXKSFDSA-N 0 0 454.970 4.710 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(Cc1ncc(Br)cc1F)CC2 ZINC001460978999 1067756018 /nfs/dbraw/zinc/75/60/18/1067756018.db2.gz LFQBTVHZXMDFCM-OAHLLOKOSA-N 0 0 456.400 4.890 20 0 JJADRN COc1cc(C(=O)NC[C@@H](CC(C)C)OC)ccc1OCc1ccc(Br)s1 ZINC001460990333 1067758791 /nfs/dbraw/zinc/75/87/91/1067758791.db2.gz KZSJRMXVFVLBOE-OAHLLOKOSA-N 0 0 456.402 4.889 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)c1c(Cl)cccc1OCC1CC1 ZINC001460991538 1067758853 /nfs/dbraw/zinc/75/88/53/1067758853.db2.gz WTNUVKCBSKELRI-UHFFFAOYSA-N 0 0 452.658 4.902 20 0 JJADRN CN(C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C1CC(OC(C)(C)C)C1 ZINC001460994410 1067759184 /nfs/dbraw/zinc/75/91/84/1067759184.db2.gz AADGROAPTOYFIQ-UHFFFAOYSA-N 0 0 457.411 4.987 20 0 JJADRN COc1ccc(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001460993604 1067759348 /nfs/dbraw/zinc/75/93/48/1067759348.db2.gz QPZNUFROBCZZAG-QGZVFWFLSA-N 0 0 459.384 4.808 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1csnc1-c1cccc(C(F)(F)F)c1 ZINC001460996021 1067759700 /nfs/dbraw/zinc/75/97/00/1067759700.db2.gz UHJYHULDNGNCFG-UHFFFAOYSA-N 0 0 459.449 4.844 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)[C@@H](C)c2c(Cl)cccc2Cl)N2CCCCC2)n1 ZINC001460998791 1067760208 /nfs/dbraw/zinc/76/02/08/1067760208.db2.gz AKOHDWOBPVZQCD-ZDUSSCGKSA-N 0 0 456.395 4.703 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)CC1 ZINC001460996807 1067760232 /nfs/dbraw/zinc/76/02/32/1067760232.db2.gz XDFOJDDMVZNSDN-UHFFFAOYSA-N 0 0 454.518 4.941 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)CCCc2ccc(CC(C)C)cc2)N2CCCCC2)n1 ZINC001460999844 1067760457 /nfs/dbraw/zinc/76/04/57/1067760457.db2.gz LOGXUNDYCCADEG-UHFFFAOYSA-N 0 0 457.640 4.814 20 0 JJADRN COC(=O)c1cc(NC(=O)C(F)(F)c2cc(Cl)ccc2OC)ccc1N1CCCCC1 ZINC001461004235 1067760874 /nfs/dbraw/zinc/76/08/74/1067760874.db2.gz AYMQUMXSUOCSPC-UHFFFAOYSA-N 0 0 452.885 4.856 20 0 JJADRN O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001461006994 1067761250 /nfs/dbraw/zinc/76/12/50/1067761250.db2.gz JFPRRICIXLUINR-UHFFFAOYSA-N 0 0 452.285 4.960 20 0 JJADRN C[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1nc(C(F)(F)F)no1 ZINC001461007214 1067761264 /nfs/dbraw/zinc/76/12/64/1067761264.db2.gz FHTSRCHSYGIYQA-ZETCQYMHSA-N 0 0 451.257 4.939 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(OC)c(Br)s2)ccc1N1CCCCC1 ZINC001461007300 1067761351 /nfs/dbraw/zinc/76/13/51/1067761351.db2.gz RJABBFQYDUCYAB-UHFFFAOYSA-N 0 0 453.358 4.548 20 0 JJADRN COc1cc(Br)cc(C(=O)OCc2c(Br)cc(F)c(F)c2F)c1 ZINC001461009363 1067761696 /nfs/dbraw/zinc/76/16/96/1067761696.db2.gz MJKQKRRPLCULJL-UHFFFAOYSA-N 0 0 454.036 4.995 20 0 JJADRN CCOC(=O)c1nc2ccccn2c1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC001461017795 1067762458 /nfs/dbraw/zinc/76/24/58/1067762458.db2.gz UNXORMKAJRQFCH-UHFFFAOYSA-N 0 0 456.930 4.791 20 0 JJADRN COc1cc(OC)cc([C@@H](NCc2cccc(Br)c2Cl)c2nccn2C)c1 ZINC001461020921 1067763357 /nfs/dbraw/zinc/76/33/57/1067763357.db2.gz BXLPBHDRARYRIN-LJQANCHMSA-N 0 0 450.764 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC(C)(C)C)CCS1 ZINC001546120887 1067763364 /nfs/dbraw/zinc/76/33/64/1067763364.db2.gz CQCTWEJXYKBCAS-UHFFFAOYSA-N 0 0 487.714 4.891 20 0 JJADRN COc1cc(OC)cc([C@H](NCc2cccc(Cl)c2Br)c2nccn2C)c1 ZINC001461025204 1067763974 /nfs/dbraw/zinc/76/39/74/1067763974.db2.gz WCZKZMKOCIEDKW-IBGZPJMESA-N 0 0 450.764 4.732 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F ZINC001461024151 1067764014 /nfs/dbraw/zinc/76/40/14/1067764014.db2.gz CQDQACZFPPJPPT-CXAGYDPISA-N 0 0 458.402 4.520 20 0 JJADRN COc1cc(CN[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc(OC)c1OCC(F)F ZINC001461025637 1067764445 /nfs/dbraw/zinc/76/44/45/1067764445.db2.gz JYZSDNDVJDZGTG-HXUWFJFHSA-N 0 0 451.901 4.614 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)c12 ZINC001461031150 1067765528 /nfs/dbraw/zinc/76/55/28/1067765528.db2.gz WQUZYWHSKHFUFL-GDBMZVCRSA-N 0 0 454.596 4.588 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC001461030070 1067765550 /nfs/dbraw/zinc/76/55/50/1067765550.db2.gz KRCAXUGZBUAUKU-SFHVURJKSA-N 0 0 453.446 4.816 20 0 JJADRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001461032184 1067765991 /nfs/dbraw/zinc/76/59/91/1067765991.db2.gz ZAJFJUJDQCUYTR-MAUKXSAKSA-N 0 0 451.489 4.533 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461035277 1067766601 /nfs/dbraw/zinc/76/66/01/1067766601.db2.gz DEBQRTMWLOSOLV-XQBPLPMBSA-N 0 0 453.583 4.672 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001461037143 1067766913 /nfs/dbraw/zinc/76/69/13/1067766913.db2.gz AMMUEICTPVECPZ-UHFFFAOYSA-N 0 0 450.926 4.813 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 ZINC001461037178 1067766921 /nfs/dbraw/zinc/76/69/21/1067766921.db2.gz BAVLBHHMXPGCLZ-LLVKDONJSA-N 0 0 451.426 4.627 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)s1 ZINC001461037966 1067767408 /nfs/dbraw/zinc/76/74/08/1067767408.db2.gz CVZPFNRMOGAZIE-IIMQCXAKSA-N 0 0 458.486 4.949 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3ccn(-c4ccccc4C(F)(F)F)n3)n2)cc1F ZINC001461038597 1067767436 /nfs/dbraw/zinc/76/74/36/1067767436.db2.gz HBYGYMZIZWPINO-UHFFFAOYSA-N 0 0 459.403 4.960 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461038932 1067767594 /nfs/dbraw/zinc/76/75/94/1067767594.db2.gz KTJGOTVVLBTQFT-FMKPAKJESA-N 0 0 457.384 4.529 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461039718 1067767677 /nfs/dbraw/zinc/76/76/77/1067767677.db2.gz MESSIYALEFSELB-IJEWVQPXSA-N 0 0 457.384 4.529 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461041402 1067768013 /nfs/dbraw/zinc/76/80/13/1067768013.db2.gz OTVGEBRMJSDGDZ-RLWLMLJZSA-N 0 0 454.542 4.607 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001461049067 1067769243 /nfs/dbraw/zinc/76/92/43/1067769243.db2.gz KCZRXQTUDIJWKF-RYGJVYDSSA-N 0 0 480.349 4.711 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)C[C@H]1c1ccc(Br)cc1 ZINC001461049566 1067769678 /nfs/dbraw/zinc/76/96/78/1067769678.db2.gz FXCNDAJWFRNRJZ-WQTXXOFMSA-N 0 0 474.395 4.755 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001461051797 1067770248 /nfs/dbraw/zinc/77/02/48/1067770248.db2.gz UDDMYBAZDAOQSP-CADBVGFASA-N 0 0 454.300 4.790 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001461051802 1067770285 /nfs/dbraw/zinc/77/02/85/1067770285.db2.gz UDDMYBAZDAOQSP-ZSYWTGECSA-N 0 0 454.300 4.790 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)NC1(c2ccc(C)cc2Br)CCCCC1 ZINC001461056091 1067771527 /nfs/dbraw/zinc/77/15/27/1067771527.db2.gz FPXHFVUFNUYXMA-SFHVURJKSA-N 0 0 453.446 4.735 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001461058094 1067771801 /nfs/dbraw/zinc/77/18/01/1067771801.db2.gz JYGGGJODOXKFGG-BEFAXECRSA-N 0 0 451.405 4.632 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC)nc2)CCS1 ZINC001546121122 1067771855 /nfs/dbraw/zinc/77/18/55/1067771855.db2.gz LVRMGJRDCQOVGK-UHFFFAOYSA-N 0 0 467.639 4.729 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@H]2C)CCS1 ZINC001546121155 1067772438 /nfs/dbraw/zinc/77/24/38/1067772438.db2.gz MQPJAWIRGBDQDR-NHCUHLMSSA-N 0 0 458.672 4.950 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@@H]2C)CCS1 ZINC001546121154 1067772484 /nfs/dbraw/zinc/77/24/84/1067772484.db2.gz MQPJAWIRGBDQDR-LEWJYISDSA-N 0 0 458.672 4.950 20 0 JJADRN CC(C)(C(=O)N1CCC[C@@H](n2ccnn2)C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461059883 1067772582 /nfs/dbraw/zinc/77/25/82/1067772582.db2.gz VOMRNXNHZWBRRY-CYBMUJFWSA-N 0 0 450.395 4.850 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)CCS1 ZINC001546121188 1067772748 /nfs/dbraw/zinc/77/27/48/1067772748.db2.gz OENVLZNBCGYHFE-IBGZPJMESA-N 0 0 482.716 4.957 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCCCC2)CCS1 ZINC001546121214 1067772835 /nfs/dbraw/zinc/77/28/35/1067772835.db2.gz PCESLKGTPVVZGO-UHFFFAOYSA-N 0 0 458.672 4.973 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)OC(C)(C)C)cc2)c1 ZINC001461061466 1067773245 /nfs/dbraw/zinc/77/32/45/1067773245.db2.gz WJHSIFJPWGKNJN-WMZHIEFXSA-N 0 0 450.579 4.507 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2OC(F)(F)F)C1 ZINC001461064935 1067774257 /nfs/dbraw/zinc/77/42/57/1067774257.db2.gz OLYHHNQWQGWKOC-NWDGAFQWSA-N 0 0 451.283 4.571 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001461065656 1067774571 /nfs/dbraw/zinc/77/45/71/1067774571.db2.gz JZUQUDHNNAJUMF-HNNXBMFYSA-N 0 0 457.695 4.755 20 0 JJADRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1ccc(Br)cc1C(F)(F)F ZINC001461066010 1067774585 /nfs/dbraw/zinc/77/45/85/1067774585.db2.gz XFAGOGQQECKNNW-AREMUKBSSA-N 0 0 451.260 4.742 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CCS1 ZINC001546121282 1067774932 /nfs/dbraw/zinc/77/49/32/1067774932.db2.gz RMAVGPFLLJJDAQ-CLOONOSVSA-N 0 0 474.671 4.529 20 0 JJADRN CCOc1ccc(Oc2cc(CNCc3cn(-c4ccc(F)cc4Cl)nn3)ccn2)cc1 ZINC001461066855 1067775141 /nfs/dbraw/zinc/77/51/41/1067775141.db2.gz PRRCRGDQNLVAOB-UHFFFAOYSA-N 0 0 453.905 4.936 20 0 JJADRN Cc1c(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001461068087 1067775479 /nfs/dbraw/zinc/77/54/79/1067775479.db2.gz WHOQYGQNDNYTKK-INIZCTEOSA-N 0 0 453.505 4.933 20 0 JJADRN CCn1cc(Br)c(C(=O)Nc2cc(Br)ccc2OC(F)(F)F)n1 ZINC001461070541 1067775745 /nfs/dbraw/zinc/77/57/45/1067775745.db2.gz NAYZQEXCIIZZLN-UHFFFAOYSA-N 0 0 457.044 4.579 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001461071157 1067775986 /nfs/dbraw/zinc/77/59/86/1067775986.db2.gz OTYAMWFBGANZGQ-KRWDZBQOSA-N 0 0 450.457 4.567 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC001461071757 1067776122 /nfs/dbraw/zinc/77/61/22/1067776122.db2.gz KUAPGUTXORNOJP-QGZVFWFLSA-N 0 0 450.526 4.871 20 0 JJADRN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC001461073760 1067776463 /nfs/dbraw/zinc/77/64/63/1067776463.db2.gz ZREVIJKWCKRGKZ-HSZRJFAPSA-N 0 0 450.623 4.750 20 0 JJADRN Cc1cc(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(C)cc1I ZINC001461076162 1067776581 /nfs/dbraw/zinc/77/65/81/1067776581.db2.gz UKPNJTWMKUQWCH-LJQANCHMSA-N 0 0 450.320 4.638 20 0 JJADRN Cc1c(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)cnn1-c1ccc(C)cc1 ZINC001461074804 1067776654 /nfs/dbraw/zinc/77/66/54/1067776654.db2.gz CKYSZSAWQPZRHK-UHFFFAOYSA-N 0 0 456.237 4.738 20 0 JJADRN Cc1cc(NCc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001461076325 1067777014 /nfs/dbraw/zinc/77/70/14/1067777014.db2.gz ZFDJOGNKBUHQSQ-INIZCTEOSA-N 0 0 450.381 4.533 20 0 JJADRN O=C(NCc1c(F)c(F)c(Br)c(F)c1F)C1(c2nccc3ccccc32)CC1 ZINC001461076818 1067777021 /nfs/dbraw/zinc/77/70/21/1067777021.db2.gz SGKSZXFDEIXERO-UHFFFAOYSA-N 0 0 453.233 4.902 20 0 JJADRN CCOc1ccc(C(=O)NCc2cc(Cl)cc(I)c2)cc1OCC ZINC001461077307 1067777424 /nfs/dbraw/zinc/77/74/24/1067777424.db2.gz YFMXDZWFVFMCTF-UHFFFAOYSA-N 0 0 459.711 4.672 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)Cc2ccccc2OC)CCCC1 ZINC001546121438 1067777610 /nfs/dbraw/zinc/77/76/10/1067777610.db2.gz YDTVFIUQUJWKMF-HXUWFJFHSA-N 0 0 453.631 4.561 20 0 JJADRN Cc1ccc(I)cc1C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001461082138 1067778012 /nfs/dbraw/zinc/77/80/12/1067778012.db2.gz BGHRXSIRDSVFQN-MRXNPFEDSA-N 0 0 457.352 4.716 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)CCC2=O)cc1C ZINC001461083731 1067778363 /nfs/dbraw/zinc/77/83/63/1067778363.db2.gz YCBLTMOQDCBYOQ-QGZVFWFLSA-N 0 0 454.933 4.722 20 0 JJADRN O=C(c1cnc(-c2ccco2)s1)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461085546 1067778686 /nfs/dbraw/zinc/77/86/86/1067778686.db2.gz KCICIGFHZMIWLR-UHFFFAOYSA-N 0 0 455.337 4.845 20 0 JJADRN CCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc(C(F)(F)F)c1 ZINC001461087175 1067779198 /nfs/dbraw/zinc/77/91/98/1067779198.db2.gz CEJTUXJHIUSPOT-RXVVDRJESA-N 0 0 452.473 4.788 20 0 JJADRN CC(C)(C)OCc1cc(COC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)no1 ZINC001461087783 1067779589 /nfs/dbraw/zinc/77/95/89/1067779589.db2.gz GPDRDXODJARZCT-UHFFFAOYSA-N 0 0 450.470 4.734 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)c1 ZINC001461088382 1067779598 /nfs/dbraw/zinc/77/95/98/1067779598.db2.gz VKQKZWIBQVUPRY-SFHVURJKSA-N 0 0 454.368 4.729 20 0 JJADRN COCCCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccc(Br)cn1 ZINC001461089048 1067779816 /nfs/dbraw/zinc/77/98/16/1067779816.db2.gz VDGVLPCBRCWGHV-UHFFFAOYSA-N 0 0 457.324 4.990 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)Nc1cnc(C(F)(F)F)nc1 ZINC001461089520 1067779866 /nfs/dbraw/zinc/77/98/66/1067779866.db2.gz YOUAIXGUVJHPJO-UHFFFAOYSA-N 0 0 450.461 4.701 20 0 JJADRN COc1ccccc1C1(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC001461093717 1067780612 /nfs/dbraw/zinc/78/06/12/1067780612.db2.gz KUGUPNVWTIOSEQ-UHFFFAOYSA-N 0 0 457.452 4.505 20 0 JJADRN C[C@@H](c1ccccc1)n1cc(NC(=O)c2cnn(Cc3ccccc3)c2Br)cn1 ZINC001461093733 1067780708 /nfs/dbraw/zinc/78/07/08/1067780708.db2.gz QVVXJDIFIVXWLB-INIZCTEOSA-N 0 0 450.340 4.752 20 0 JJADRN C[C@H](c1ccccc1)n1cc(NC(=O)c2cc(Br)nc(Br)c2)cn1 ZINC001461094548 1067780989 /nfs/dbraw/zinc/78/09/89/1067780989.db2.gz TWMZULPRBHSXJF-LLVKDONJSA-N 0 0 450.134 4.665 20 0 JJADRN O=C1C[C@@H](NCc2cccc(O)c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096288 1067781419 /nfs/dbraw/zinc/78/14/19/1067781419.db2.gz PMVUJPNVVFLTNZ-QGZVFWFLSA-N 0 0 453.336 4.842 20 0 JJADRN O=C(OCc1cc(Cl)ccc1I)c1csc(-c2ccccn2)n1 ZINC001461103314 1067782389 /nfs/dbraw/zinc/78/23/89/1067782389.db2.gz KFUMXMAZWPZBSO-UHFFFAOYSA-N 0 0 456.692 4.820 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)OCc1cc(Cl)ccc1I ZINC001461106061 1067783031 /nfs/dbraw/zinc/78/30/31/1067783031.db2.gz WVQOXBMGNIQIHJ-UHFFFAOYSA-N 0 0 452.622 4.788 20 0 JJADRN C[C@@H](NC(=O)c1cc2sc(Br)cc2s1)c1ccc(N2CCNC2=O)cc1 ZINC001461106792 1067783092 /nfs/dbraw/zinc/78/30/92/1067783092.db2.gz VAOZJSBFNHDZSF-SNVBAGLBSA-N 0 0 450.383 4.746 20 0 JJADRN Cc1nc(-c2cc(NC(=O)Cc3cc(F)ccc3Br)cc(C(F)(F)F)c2)n[nH]1 ZINC001461109790 1067783423 /nfs/dbraw/zinc/78/34/23/1067783423.db2.gz KXMJWCMSZPRXKE-UHFFFAOYSA-N 0 0 457.225 4.882 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC001461121074 1067785235 /nfs/dbraw/zinc/78/52/35/1067785235.db2.gz RTFVNJJQFGENDY-APPDUMDISA-N 0 0 457.137 4.953 20 0 JJADRN C[C@@H]1[C@@H](C)N(C(=O)CSc2ccccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001461127896 1067786752 /nfs/dbraw/zinc/78/67/52/1067786752.db2.gz VGLFYORCHXPJAH-RRFJBIMHSA-N 0 0 457.434 4.786 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)c3ccccc3n2)o1 ZINC001461135358 1067787504 /nfs/dbraw/zinc/78/75/04/1067787504.db2.gz HNZQKXMXYAIBAU-UHFFFAOYSA-N 0 0 450.535 4.672 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461144034 1067788227 /nfs/dbraw/zinc/78/82/27/1067788227.db2.gz NQSSKCIJVNYTOB-PBHICJAKSA-N 0 0 459.331 4.932 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)c1ccc(C)cc1Sc1ccccc1)Cc1ccc(F)cc1C ZINC001461145956 1067788624 /nfs/dbraw/zinc/78/86/24/1067788624.db2.gz CRUJXLQVBHEFSY-HXUWFJFHSA-N 0 0 450.579 4.928 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)NCc1cc(Cl)ccc1Br ZINC001461148496 1067789385 /nfs/dbraw/zinc/78/93/85/1067789385.db2.gz NRMFDAGGTXDWPA-UHFFFAOYSA-N 0 0 452.654 4.739 20 0 JJADRN CC[C@@H](C)[C@@H](NCc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148270 1067789549 /nfs/dbraw/zinc/78/95/49/1067789549.db2.gz IGYGCFDSEOQMCZ-AUUYWEPGSA-N 0 0 451.434 4.649 20 0 JJADRN O=C([C@@H](Oc1ccc(Br)cc1)c1ccccc1)N1CCc2cc(Cl)nnc2C1 ZINC001461154405 1067790313 /nfs/dbraw/zinc/79/03/13/1067790313.db2.gz CDUNBOKZXDQLFA-FQEVSTJZSA-N 0 0 458.743 4.598 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CO1 ZINC001461154202 1067790379 /nfs/dbraw/zinc/79/03/79/1067790379.db2.gz AQEWJGMFFKCVKJ-NFBKMPQASA-N 0 0 457.542 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CNc3cc(-c4cccs4)nn3CCO)cc2C1 ZINC001461156184 1067790530 /nfs/dbraw/zinc/79/05/30/1067790530.db2.gz QNQXXAMAEOLYDE-UHFFFAOYSA-N 0 0 454.596 4.509 20 0 JJADRN Cc1nc2ccc(COC(=O)c3nn(-c4ccccc4C(F)(F)F)c(C)cc3=O)cc2s1 ZINC001461166307 1067791639 /nfs/dbraw/zinc/79/16/39/1067791639.db2.gz BSOZESCAKWAEAP-UHFFFAOYSA-N 0 0 459.449 4.835 20 0 JJADRN COc1ccc(-n2nc(C(=O)Nc3cc(C(F)(F)F)cc(Br)n3)cc2C)cc1 ZINC001461170294 1067792226 /nfs/dbraw/zinc/79/22/26/1067792226.db2.gz MCYCZIVJTZNYDC-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN COc1cc(Br)c(CNCc2nc3cc(Br)ccc3o2)cc1OC ZINC001461171490 1067792306 /nfs/dbraw/zinc/79/23/06/1067792306.db2.gz AMZRKOHMEQCCPO-UHFFFAOYSA-N 0 0 456.134 4.660 20 0 JJADRN COC(=O)c1sc(I)cc1NC(=O)c1cccc(Cl)c1Cl ZINC001461171984 1067792383 /nfs/dbraw/zinc/79/23/83/1067792383.db2.gz HNSZMFKOXVWVTA-UHFFFAOYSA-N 0 0 456.088 4.698 20 0 JJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccccc1Oc1cccc(C)c1 ZINC001461174755 1067792926 /nfs/dbraw/zinc/79/29/26/1067792926.db2.gz OEVUJGRNZJYKQJ-IBGZPJMESA-N 0 0 459.999 4.595 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2c(F)cccc2Cl)CCOCC1 ZINC001546122244 1067793029 /nfs/dbraw/zinc/79/30/29/1067793029.db2.gz CQQKSKFRQDVFMG-UHFFFAOYSA-N 0 0 486.979 4.561 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CCOCC1 ZINC001546122263 1067793092 /nfs/dbraw/zinc/79/30/92/1067793092.db2.gz DJHJYXVSHSVEJW-BGYRXZFFSA-N 0 0 471.671 4.684 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(Br)c2I)cc1 ZINC001461183984 1067794508 /nfs/dbraw/zinc/79/45/08/1067794508.db2.gz HPGDDDUTDJFSEA-QWHCGFSZSA-N 0 0 472.120 4.805 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC001461186642 1067795361 /nfs/dbraw/zinc/79/53/61/1067795361.db2.gz WUWXBLJPPZALGL-VGOFRKELSA-N 0 0 458.514 4.899 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC001461188437 1067795569 /nfs/dbraw/zinc/79/55/69/1067795569.db2.gz ZPTNENRTKDZXIF-UHFFFAOYSA-N 0 0 455.368 4.947 20 0 JJADRN CC(C)[C@H](CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001461190808 1067796479 /nfs/dbraw/zinc/79/64/79/1067796479.db2.gz FQGDPQIVTVLHRS-HNNXBMFYSA-N 0 0 457.411 4.833 20 0 JJADRN CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)C1=O ZINC001461192467 1067796536 /nfs/dbraw/zinc/79/65/36/1067796536.db2.gz PBVZTKQICVESTE-HSZRJFAPSA-N 0 0 451.573 4.690 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cs1)c1ccc(F)cc1 ZINC001461194510 1067797169 /nfs/dbraw/zinc/79/71/69/1067797169.db2.gz NLSCXWWGYXVVMU-LJQANCHMSA-N 0 0 450.580 4.606 20 0 JJADRN CC(C)[C@H](CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001461198685 1067797980 /nfs/dbraw/zinc/79/79/80/1067797980.db2.gz VYXTYJWGYSMQNM-SFHVURJKSA-N 0 0 453.004 4.648 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(F)(F)F ZINC001461206586 1067799328 /nfs/dbraw/zinc/79/93/28/1067799328.db2.gz RLFNGBKPXQKOII-AWEZNQCLSA-N 0 0 455.304 4.987 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)s1 ZINC001461208782 1067799801 /nfs/dbraw/zinc/79/98/01/1067799801.db2.gz YCBXMWJBPNRLRB-MRXNPFEDSA-N 0 0 458.502 4.821 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1 ZINC001461211255 1067800090 /nfs/dbraw/zinc/80/00/90/1067800090.db2.gz ATEBCTJGEORRCV-UHFFFAOYSA-N 0 0 454.162 4.944 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C)ccc2C(N)=O)c(OC)c1 ZINC001461211178 1067800378 /nfs/dbraw/zinc/80/03/78/1067800378.db2.gz FFIPRPCUKGPADP-UHFFFAOYSA-N 0 0 457.530 4.831 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCCC1 ZINC001546122534 1067802222 /nfs/dbraw/zinc/80/22/22/1067802222.db2.gz NZGGHYWIRMBZJM-JOCHJYFZSA-N 0 0 494.684 4.811 20 0 JJADRN COc1cc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc(OC)c1OC ZINC001461221799 1067802603 /nfs/dbraw/zinc/80/26/03/1067802603.db2.gz FFEWFHPQNZFWCP-UHFFFAOYSA-N 0 0 459.757 4.635 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC)C3)s2)cc1 ZINC001461222114 1067802612 /nfs/dbraw/zinc/80/26/12/1067802612.db2.gz AVSVRQBNBLALCM-LEWJYISDSA-N 0 0 464.587 4.800 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)C[C@H]1c1ccccc1 ZINC001461222161 1067803078 /nfs/dbraw/zinc/80/30/78/1067803078.db2.gz CBEZTPCIQHEJCN-ZWKOTPCHSA-N 0 0 460.477 4.858 20 0 JJADRN COc1ccccc1[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1noc(C)n1 ZINC001461224034 1067803488 /nfs/dbraw/zinc/80/34/88/1067803488.db2.gz SUFLWVIISIRMJO-NRFANRHFSA-N 0 0 457.456 4.529 20 0 JJADRN CC(C)Oc1cncc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)n1 ZINC001461223770 1067803539 /nfs/dbraw/zinc/80/35/39/1067803539.db2.gz SERXGIANUKVNCG-UHFFFAOYSA-N 0 0 455.106 4.787 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001461224618 1067803805 /nfs/dbraw/zinc/80/38/05/1067803805.db2.gz ZASRXTRYZPYOMQ-UHFFFAOYSA-N 0 0 453.230 4.975 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)N1CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC1)CO2 ZINC001461225941 1067803918 /nfs/dbraw/zinc/80/39/18/1067803918.db2.gz UJJXHSDSXPSZBB-CQSZACIVSA-N 0 0 455.769 4.555 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)Nc2ccc(OCCC(C)C)c(F)c2)N(C(=O)OCc2ccccc2)C1 ZINC001461225980 1067803992 /nfs/dbraw/zinc/80/39/92/1067803992.db2.gz ZMCIUTLRADGEBY-IFMALSPDSA-N 0 0 458.530 4.615 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNCc1n[nH]cc1Br ZINC001461233636 1067806019 /nfs/dbraw/zinc/80/60/19/1067806019.db2.gz RAJRSOLXSFGULM-UHFFFAOYSA-N 0 0 456.319 4.888 20 0 JJADRN COc1ccc(OCc2nc(CN[C@@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001461234767 1067806574 /nfs/dbraw/zinc/80/65/74/1067806574.db2.gz RSQLLCPZNNEHFY-HXUWFJFHSA-N 0 0 457.983 4.669 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cc1I ZINC001461243749 1067808081 /nfs/dbraw/zinc/80/80/81/1067808081.db2.gz IOYFPSRMASAEQY-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461245396 1067808395 /nfs/dbraw/zinc/80/83/95/1067808395.db2.gz WMXDIDYUZQBSAY-TVTNDZMWSA-N 0 0 450.982 4.727 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCc2ccccc2NC1=O)c1csc(-c2c(F)cccc2Cl)n1 ZINC001461248856 1067809273 /nfs/dbraw/zinc/80/92/73/1067809273.db2.gz XUURDXZDFMHTBP-KRWDZBQOSA-N 0 0 457.958 4.950 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(OCc3ccccc3)CC2)CCCC1 ZINC001546122734 1067809289 /nfs/dbraw/zinc/80/92/89/1067809289.db2.gz VPCCLTMOORNOPW-UHFFFAOYSA-N 0 0 453.631 4.572 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001461247741 1067809301 /nfs/dbraw/zinc/80/93/01/1067809301.db2.gz NWHSMQWKPOJSJY-UHFFFAOYSA-N 0 0 453.967 4.675 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC=C(Br)C2)CC1 ZINC001546122774 1067810293 /nfs/dbraw/zinc/81/02/93/1067810293.db2.gz WYHCDNJPBDTCAE-UHFFFAOYSA-N 0 0 458.404 4.826 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3ncccc3C(=O)c3cccc(Cl)c3)c21 ZINC001461253598 1067810554 /nfs/dbraw/zinc/81/05/54/1067810554.db2.gz IJEWKXIJRJUBSA-UHFFFAOYSA-N 0 0 459.815 4.519 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NCc3cc(Cl)ccc3I)C2=O)cc1 ZINC001461251790 1067810570 /nfs/dbraw/zinc/81/05/70/1067810570.db2.gz NVNBSRRNMPIVQR-GOSISDBHSA-N 0 0 454.739 4.538 20 0 JJADRN CC1(C)Cc2cc(CN[C@H](c3cccc(S(C)(=O)=O)c3)c3ccc(F)c(F)c3)ccc2O1 ZINC001461260004 1067812549 /nfs/dbraw/zinc/81/25/49/1067812549.db2.gz PZODTLYXMYIAGE-XMMPIXPASA-N 0 0 457.542 4.961 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNCc2ncc(Br)cc2Br)cc1 ZINC001461265918 1067814083 /nfs/dbraw/zinc/81/40/83/1067814083.db2.gz QWNPTSLHONAERP-UHFFFAOYSA-N 0 0 456.178 4.852 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)c2ccc(F)cc2O1 ZINC001461268038 1067814452 /nfs/dbraw/zinc/81/44/52/1067814452.db2.gz MRQKAWYPWWGFCG-QFIPXVFZSA-N 0 0 450.466 4.717 20 0 JJADRN CN(C(=O)c1cc(Br)cc(Br)c1)c1ncc(Br)s1 ZINC001461270425 1067814838 /nfs/dbraw/zinc/81/48/38/1067814838.db2.gz SILAMQDPHOFWRZ-UHFFFAOYSA-N 0 0 454.969 4.707 20 0 JJADRN O=C(Nc1ccccc1OCc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001461276134 1067816032 /nfs/dbraw/zinc/81/60/32/1067816032.db2.gz ASJCRYXOHADUCZ-UHFFFAOYSA-N 0 0 456.951 4.711 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CCCC1 ZINC001461288317 1067819169 /nfs/dbraw/zinc/81/91/69/1067819169.db2.gz VTHRFFPZKUYOGS-VQTJNVASSA-N 0 0 458.599 4.758 20 0 JJADRN CCOc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC001461290544 1067819810 /nfs/dbraw/zinc/81/98/10/1067819810.db2.gz FSALBNBEYVCHEB-UHFFFAOYSA-N 0 0 451.972 4.579 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001461290423 1067819822 /nfs/dbraw/zinc/81/98/22/1067819822.db2.gz QKAZYXPGGIFFOO-IBGZPJMESA-N 0 0 450.913 4.613 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001461291031 1067819832 /nfs/dbraw/zinc/81/98/32/1067819832.db2.gz SWBMIEHGQIMOGW-SELNLUPBSA-N 0 0 450.579 4.925 20 0 JJADRN CN(C(=O)CCCOc1cccc(F)c1)c1nccc(-c2sccc2Br)n1 ZINC001461290600 1067819898 /nfs/dbraw/zinc/81/98/98/1067819898.db2.gz HOONFVFVAKDGQR-UHFFFAOYSA-N 0 0 450.333 4.929 20 0 JJADRN Cc1c(Br)cc(CNc2ccc(CN3CCOCC3)cc2)cc1Br ZINC001461292062 1067820194 /nfs/dbraw/zinc/82/01/94/1067820194.db2.gz DQKHTEUYNIBEPK-UHFFFAOYSA-N 0 0 454.206 4.964 20 0 JJADRN COc1ccc(C(=O)N2CCOCC2)cc1NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001461297600 1067821061 /nfs/dbraw/zinc/82/10/61/1067821061.db2.gz AYPQAIVLAZMAOJ-VMPITWQZSA-N 0 0 458.558 4.872 20 0 JJADRN COc1cc(C2(C(=O)N(C)c3nccc(-c4sccc4Br)n3)CC2)ccc1C ZINC001461296268 1067821150 /nfs/dbraw/zinc/82/11/50/1067821150.db2.gz GEGBAUWHYVEVMK-UHFFFAOYSA-N 0 0 458.381 4.979 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1nccc(-c2sccc2Br)n1 ZINC001461296323 1067821177 /nfs/dbraw/zinc/82/11/77/1067821177.db2.gz HHPKFQMZDDKAFU-UHFFFAOYSA-N 0 0 459.325 4.730 20 0 JJADRN CN(C(=O)c1cnc(-c2cccnc2)s1)c1nccc(-c2sccc2Br)n1 ZINC001461297631 1067821188 /nfs/dbraw/zinc/82/11/88/1067821188.db2.gz NMCQXPNRJYOOCB-UHFFFAOYSA-N 0 0 458.366 4.763 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)Nc3ccnc(-c4cccc(Br)c4)n3)c2)cn1 ZINC001461297901 1067821356 /nfs/dbraw/zinc/82/13/56/1067821356.db2.gz UNHWUAWZBNKWRS-UHFFFAOYSA-N 0 0 452.287 4.698 20 0 JJADRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001461298406 1067821377 /nfs/dbraw/zinc/82/13/77/1067821377.db2.gz ZRJPWJUYDLPLKA-HXUWFJFHSA-N 0 0 453.336 4.748 20 0 JJADRN CN(C(=O)c1ccc(OC2CCCC2)nc1)c1nccc(-c2sccc2Br)n1 ZINC001461297951 1067821480 /nfs/dbraw/zinc/82/14/80/1067821480.db2.gz PUMYNJWMQVBQHR-UHFFFAOYSA-N 0 0 459.369 4.961 20 0 JJADRN CN1CCc2ccc(NCc3cc(Br)ccc3OCc3ccccn3)cc2C1=O ZINC001461298389 1067821659 /nfs/dbraw/zinc/82/16/59/1067821659.db2.gz XPUSXTNDEJCDRT-UHFFFAOYSA-N 0 0 452.352 4.663 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)c(OC)c1 ZINC001461297910 1067821677 /nfs/dbraw/zinc/82/16/77/1067821677.db2.gz UPLQZTHNHBJCGC-HYXAFXHYSA-N 0 0 454.324 4.965 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1C ZINC001461300442 1067822629 /nfs/dbraw/zinc/82/26/29/1067822629.db2.gz KVWCQAOAEOMHEO-CHWSQXEVSA-N 0 0 459.593 4.709 20 0 JJADRN Cn1cc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)c(C(F)(F)F)c1 ZINC001461301802 1067822760 /nfs/dbraw/zinc/82/27/60/1067822760.db2.gz ABXHQEWLWOMUTJ-UHFFFAOYSA-N 0 0 457.168 4.864 20 0 JJADRN CCOc1c(Br)cc(Br)cc1CNc1ccc2c(c1)oc(=O)n2C ZINC001461307551 1067824503 /nfs/dbraw/zinc/82/45/03/1067824503.db2.gz HBQBJFGUQAORGO-UHFFFAOYSA-N 0 0 456.134 4.667 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNc1ccc(CC(=O)N2CCc3ccccc32)cc1)CC(F)F ZINC001461307493 1067824744 /nfs/dbraw/zinc/82/47/44/1067824744.db2.gz GGSIHANVRXKYRE-HXUWFJFHSA-N 0 0 459.537 4.779 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001461307390 1067824754 /nfs/dbraw/zinc/82/47/54/1067824754.db2.gz HYPALWBHHQDPJT-YLJYHZDGSA-N 0 0 456.917 4.700 20 0 JJADRN COCCN(C(=O)/C=C\c1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461309099 1067824970 /nfs/dbraw/zinc/82/49/70/1067824970.db2.gz FJCSOJZIGRUOJZ-XFXZXTDPSA-N 0 0 456.970 4.629 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1cccc(C(=O)N2CCC(CO)CC2)c1 ZINC001461312149 1067825584 /nfs/dbraw/zinc/82/55/84/1067825584.db2.gz BAKCNNCDZIGGKD-UHFFFAOYSA-N 0 0 452.986 4.599 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1c(I)cnn1C)C1CCC(C)CC1 ZINC001461310388 1067825649 /nfs/dbraw/zinc/82/56/49/1067825649.db2.gz ZRRVOLNKDXCTNW-LEHRNKBSSA-N 0 0 451.352 4.631 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cc(Br)c(C)cc2Br)c1OC ZINC001461317390 1067826790 /nfs/dbraw/zinc/82/67/90/1067826790.db2.gz MRQKGZLYGAUUMB-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN CN1CCN(C(=O)Cc2cccc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)CC1 ZINC001461317975 1067827292 /nfs/dbraw/zinc/82/72/92/1067827292.db2.gz NGWQOIFZJNFHIT-UHFFFAOYSA-N 0 0 459.434 4.653 20 0 JJADRN CCOc1c(Br)cc(CNc2cccc(CS(=O)(=O)C(C)C)c2)cc1OC ZINC001461320291 1067827553 /nfs/dbraw/zinc/82/75/53/1067827553.db2.gz ZEBKBYSAJCOQDK-UHFFFAOYSA-N 0 0 456.402 4.792 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NCc2cc(OC)c(OC)cc2Br)c1C ZINC001461322278 1067827614 /nfs/dbraw/zinc/82/76/14/1067827614.db2.gz AGKYMOWNJJMONZ-UHFFFAOYSA-N 0 0 457.390 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNc1ccn(-c2ncccc2C(F)(F)F)n1)CC(F)(F)F ZINC001461322998 1067827973 /nfs/dbraw/zinc/82/79/73/1067827973.db2.gz BDGYZCMUJDBWPD-NSHDSACASA-N 0 0 453.387 4.544 20 0 JJADRN Cc1ccc(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)c(OCC(F)(F)F)c1 ZINC001461324793 1067828696 /nfs/dbraw/zinc/82/86/96/1067828696.db2.gz PHIOSAROFPTDHF-UHFFFAOYSA-N 0 0 458.908 4.913 20 0 JJADRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccnn3C)c2c1 ZINC001461326746 1067829122 /nfs/dbraw/zinc/82/91/22/1067829122.db2.gz NZSKXODPVQQABE-XMMPIXPASA-N 0 0 456.546 4.757 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@@H](C)[C@H]3CCNC(=O)OC(C)(C)C)c12 ZINC001461327347 1067829391 /nfs/dbraw/zinc/82/93/91/1067829391.db2.gz FVFAIGXJKVNHHH-OXQOHEQNSA-N 0 0 458.603 4.893 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC001461327089 1067829409 /nfs/dbraw/zinc/82/94/09/1067829409.db2.gz ZXJSTTYIRTWATN-AREMUKBSSA-N 0 0 450.604 4.692 20 0 JJADRN Cc1c(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC001461327069 1067829453 /nfs/dbraw/zinc/82/94/53/1067829453.db2.gz ZOKIGDDPGJDADR-RUZDIDTESA-N 0 0 453.970 4.864 20 0 JJADRN CCCOc1c(Cl)cc(CNc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc1OC ZINC001461328553 1067829917 /nfs/dbraw/zinc/82/99/17/1067829917.db2.gz CMJWCMBEMWWNPG-UHFFFAOYSA-N 0 0 455.020 4.967 20 0 JJADRN CCn1cnnc1-c1cccc(NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461330027 1067830361 /nfs/dbraw/zinc/83/03/61/1067830361.db2.gz DIUJZQPLVFFJFC-LJQANCHMSA-N 0 0 451.571 4.728 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2csc(-c3ccccc3)n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461339445 1067832868 /nfs/dbraw/zinc/83/28/68/1067832868.db2.gz AKQKYRNTQCFOBP-UHFFFAOYSA-N 0 0 456.449 4.936 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC001461338805 1067832936 /nfs/dbraw/zinc/83/29/36/1067832936.db2.gz CEIKKUUIHRUOOX-QGZVFWFLSA-N 0 0 458.356 4.503 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2cc(Br)ncc2Br)c1 ZINC001461339843 1067833292 /nfs/dbraw/zinc/83/32/92/1067833292.db2.gz BBNZLNOKIIJAPU-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN COc1cc(CN[C@@H](C)c2noc(-c3ccccc3)n2)cc(Br)c1OC(F)F ZINC001461341128 1067833800 /nfs/dbraw/zinc/83/38/00/1067833800.db2.gz OOXRUGAAFOUKFO-NSHDSACASA-N 0 0 454.271 4.960 20 0 JJADRN CC1(C)C[C@H](NC(=O)c2cc(Br)cnc2Br)c2cc(F)ccc2O1 ZINC001461340830 1067833887 /nfs/dbraw/zinc/83/38/87/1067833887.db2.gz ILFYNWIUFBZVLD-ZDUSSCGKSA-N 0 0 458.125 4.778 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC001461340589 1067833911 /nfs/dbraw/zinc/83/39/11/1067833911.db2.gz HFVDMHKUTLYLOX-UHFFFAOYSA-N 0 0 453.276 4.507 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001461340840 1067833928 /nfs/dbraw/zinc/83/39/28/1067833928.db2.gz INTMTPRKKYNTSK-SIKLNZKXSA-N 0 0 450.579 4.518 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC001461343270 1067834163 /nfs/dbraw/zinc/83/41/63/1067834163.db2.gz NKBWVXVMJNCYAK-UHFFFAOYSA-N 0 0 451.544 4.868 20 0 JJADRN CCCCN(C(=O)c1cccc(F)c1I)[C@H]1CCc2ncsc2C1 ZINC001461344066 1067834760 /nfs/dbraw/zinc/83/47/60/1067834760.db2.gz FSBNCGISEOVKEW-LBPRGKRZSA-N 0 0 458.340 4.687 20 0 JJADRN CCOc1c(Br)cc(CNc2cccc3c2oc(=O)n3C)cc1Br ZINC001461348903 1067835693 /nfs/dbraw/zinc/83/56/93/1067835693.db2.gz WZGMXNIIUGTHJZ-UHFFFAOYSA-N 0 0 456.134 4.667 20 0 JJADRN Cc1ccc(C(=O)N2CCCc3nc(Br)ccc32)cc1NC(=O)c1ccccc1 ZINC001461348118 1067835914 /nfs/dbraw/zinc/83/59/14/1067835914.db2.gz ZUKQAACHTAARCF-UHFFFAOYSA-N 0 0 450.336 4.998 20 0 JJADRN CCCCN(C(=O)c1cccc(I)c1C)[C@@H]1CCc2ncsc2C1 ZINC001461350145 1067836326 /nfs/dbraw/zinc/83/63/26/1067836326.db2.gz ZHXBEZMVRRWYBZ-CQSZACIVSA-N 0 0 454.377 4.856 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)F)ccc2F)c1Cl ZINC001461351010 1067836432 /nfs/dbraw/zinc/83/64/32/1067836432.db2.gz AMWAFGXURPQAMK-UHFFFAOYSA-N 0 0 456.269 4.743 20 0 JJADRN CCCOc1c(Cl)cc(CNc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1OCC ZINC001461353482 1067836779 /nfs/dbraw/zinc/83/67/79/1067836779.db2.gz XGIAJCPAIKWYFQ-UHFFFAOYSA-N 0 0 456.967 4.819 20 0 JJADRN CC[C@H](OCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccccc1 ZINC001461365918 1067839817 /nfs/dbraw/zinc/83/98/17/1067839817.db2.gz OANNUIQJKLYBBO-NRFANRHFSA-N 0 0 450.000 4.711 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@H]2C(C)C)CCOCC1 ZINC001546123817 1067839872 /nfs/dbraw/zinc/83/98/72/1067839872.db2.gz BOSMRHTXJIWZMW-OAQYLSRUSA-N 0 0 474.049 4.693 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC001461371152 1067840149 /nfs/dbraw/zinc/84/01/49/1067840149.db2.gz XUMZZIJWELHUQW-YOSAUDMPSA-N 0 0 452.620 4.785 20 0 JJADRN C[C@H](COCC1CC1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001461369857 1067840173 /nfs/dbraw/zinc/84/01/73/1067840173.db2.gz YFEITZSHBOGPJH-LLVKDONJSA-N 0 0 451.823 4.724 20 0 JJADRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCCc1nnc(-c2ccccc2I)o1 ZINC001461371490 1067840612 /nfs/dbraw/zinc/84/06/12/1067840612.db2.gz RBVYWVDDVIZFME-XJKSGUPXSA-N 0 0 467.351 4.605 20 0 JJADRN C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)n1 ZINC001461372660 1067840627 /nfs/dbraw/zinc/84/06/27/1067840627.db2.gz OLDXXCWEQAFZKG-WBMJQRKESA-N 0 0 452.780 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)C1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001461371334 1067840738 /nfs/dbraw/zinc/84/07/38/1067840738.db2.gz ZUSAQUXTALRQOG-CYFREDJKSA-N 0 0 463.018 4.542 20 0 JJADRN C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)n1 ZINC001461374121 1067841009 /nfs/dbraw/zinc/84/10/09/1067841009.db2.gz UTQYVUZGMFVWEH-MFKMUULPSA-N 0 0 456.743 4.843 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001461377001 1067841549 /nfs/dbraw/zinc/84/15/49/1067841549.db2.gz MXPOQPPMCUKWSI-GCJKJVERSA-N 0 0 456.608 4.996 20 0 JJADRN COC(=O)CC1(NC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)CC1 ZINC001461378909 1067841851 /nfs/dbraw/zinc/84/18/51/1067841851.db2.gz HRNNIEUGURHCRF-UHFFFAOYSA-N 0 0 455.352 4.742 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)C2 ZINC001461379010 1067842155 /nfs/dbraw/zinc/84/21/55/1067842155.db2.gz JNFASCKVWDOWMC-NZUPQLOKSA-N 0 0 477.443 4.880 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1C ZINC001461380562 1067842200 /nfs/dbraw/zinc/84/22/00/1067842200.db2.gz OWAXHLYPKMUTNQ-AOMKIAJQSA-N 0 0 451.405 4.833 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001461380367 1067842349 /nfs/dbraw/zinc/84/23/49/1067842349.db2.gz KWEQQIBTAJQPHY-DWACAAAGSA-N 0 0 478.589 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)cc1Br)C2 ZINC001461382888 1067843847 /nfs/dbraw/zinc/84/38/47/1067843847.db2.gz WVPULKOBKLHTLS-RBZFPXEDSA-N 0 0 457.796 4.870 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)c1ccc(O[C@H](C)c3ccccc3)cc1)C2=O ZINC001461386696 1067844669 /nfs/dbraw/zinc/84/46/69/1067844669.db2.gz SFOFUSLGJLGDTB-VAMGGRTRSA-N 0 0 456.542 4.997 20 0 JJADRN CCOc1cc(CNc2cc(C)n(-c3ccccc3Cl)n2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461391247 1067845105 /nfs/dbraw/zinc/84/51/05/1067845105.db2.gz NLWFOEPDCWPQEK-QGZVFWFLSA-N 0 0 456.974 4.700 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@@H]2CCCC[C@@H]12 ZINC001461394007 1067845493 /nfs/dbraw/zinc/84/54/93/1067845493.db2.gz IIHPKLDTXAZJMW-XUVXKRRUSA-N 0 0 452.389 4.579 20 0 JJADRN CC(C)Cc1nsc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC001461401397 1067846717 /nfs/dbraw/zinc/84/67/17/1067846717.db2.gz KFTCOYXGJIZRFE-UHFFFAOYSA-N 0 0 456.381 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)c2cnc3c(F)ccc(F)c3c2)C1 ZINC001461400617 1067846776 /nfs/dbraw/zinc/84/67/76/1067846776.db2.gz YYQSOBYXNUIDDQ-QGZVFWFLSA-N 0 0 453.489 4.999 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)c3cnc(NC(=O)OC(C)(C)C)cn3)nc2)c1 ZINC001461405982 1067847494 /nfs/dbraw/zinc/84/74/94/1067847494.db2.gz HBTQBWAAUHCLCS-UHFFFAOYSA-N 0 0 452.540 4.936 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCC(F)(F)c2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461411795 1067849262 /nfs/dbraw/zinc/84/92/62/1067849262.db2.gz VADAGJIBBFXEBK-OXJNMPFZSA-N 0 0 456.867 4.824 20 0 JJADRN Cn1nc(Br)cc1CN[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001461414227 1067849999 /nfs/dbraw/zinc/84/99/99/1067849999.db2.gz ZLAXVDDUUMRSKJ-IBGZPJMESA-N 0 0 459.388 4.691 20 0 JJADRN O=C(c1cccc(OCc2cccnc2)c1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001461414478 1067850065 /nfs/dbraw/zinc/85/00/65/1067850065.db2.gz VTSURGMNSAWOSQ-JOCHJYFZSA-N 0 0 453.336 4.637 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC001461417404 1067851010 /nfs/dbraw/zinc/85/10/10/1067851010.db2.gz SDWHELBNGYAYMV-JTSKRJEESA-N 0 0 450.432 4.774 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001461417475 1067851226 /nfs/dbraw/zinc/85/12/26/1067851226.db2.gz UXMQQYIYIKOJEN-QFIPXVFZSA-N 0 0 456.505 4.908 20 0 JJADRN CC(C)(C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461419085 1067851804 /nfs/dbraw/zinc/85/18/04/1067851804.db2.gz NFEMIGRKNRHOJD-SWLSCSKDSA-N 0 0 452.407 4.522 20 0 JJADRN O=C(CC[C@H]1CCc2ccccc21)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461419764 1067852164 /nfs/dbraw/zinc/85/21/64/1067852164.db2.gz PPIKDUNDAYATJD-WTNAPCKOSA-N 0 0 462.487 4.699 20 0 JJADRN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001461428249 1067853596 /nfs/dbraw/zinc/85/35/96/1067853596.db2.gz OJWCUYCTXLTVOV-MEDUHNTESA-N 0 0 465.273 4.507 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001461428235 1067853638 /nfs/dbraw/zinc/85/36/38/1067853638.db2.gz NOWSZYSWZUAAPF-BXKMTCNYSA-N 0 0 474.395 4.922 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001461430154 1067854463 /nfs/dbraw/zinc/85/44/63/1067854463.db2.gz JBFHITYKMNISRN-MHECFPHRSA-N 0 0 481.390 4.819 20 0 JJADRN COc1ccc(CN[C@@H](CCO)c2ccccc2Br)cc1OCc1cccnc1 ZINC001461431620 1067854930 /nfs/dbraw/zinc/85/49/30/1067854930.db2.gz PQDIQBOYGTYRMH-NRFANRHFSA-N 0 0 457.368 4.645 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC001461432201 1067854956 /nfs/dbraw/zinc/85/49/56/1067854956.db2.gz PXQZAIMSVUEQGW-YCRPNKLZSA-N 0 0 458.331 4.685 20 0 JJADRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(Br)cc1Br ZINC001461433867 1067855425 /nfs/dbraw/zinc/85/54/25/1067855425.db2.gz UIVAHEVBSSDBKW-CYBMUJFWSA-N 0 0 459.100 4.832 20 0 JJADRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461434868 1067855455 /nfs/dbraw/zinc/85/54/55/1067855455.db2.gz YZJOWOUEBZVVKS-MJGOQNOKSA-N 0 0 453.423 4.661 20 0 JJADRN COc1cc(CNc2cc(F)c(SC)c(F)c2)cc(I)c1OC ZINC001461433810 1067855488 /nfs/dbraw/zinc/85/54/88/1067855488.db2.gz VRZGXBQTAYDHDG-UHFFFAOYSA-N 0 0 451.276 4.921 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001461439919 1067856885 /nfs/dbraw/zinc/85/68/85/1067856885.db2.gz HPGLXLLHSFMXLR-QFIPXVFZSA-N 0 0 454.347 4.695 20 0 JJADRN C[C@H]1CC[C@@](C)(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1(C)C ZINC001461443399 1067857740 /nfs/dbraw/zinc/85/77/40/1067857740.db2.gz IBVQIMIDYZNSDA-SIBVEZHUSA-N 0 0 456.652 4.819 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001461444792 1067858129 /nfs/dbraw/zinc/85/81/29/1067858129.db2.gz MBTYTYRAVVQHHG-INIZCTEOSA-N 0 0 450.417 4.714 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461444907 1067858162 /nfs/dbraw/zinc/85/81/62/1067858162.db2.gz MQFGIDCEXBWMHE-GDAAHCPNSA-N 0 0 474.470 4.574 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461444911 1067858168 /nfs/dbraw/zinc/85/81/68/1067858168.db2.gz MQFGIDCEXBWMHE-KANFNMMFSA-N 0 0 474.470 4.574 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1 ZINC001461446652 1067858518 /nfs/dbraw/zinc/85/85/18/1067858518.db2.gz KVGDGUVAXQIXJO-JOCHJYFZSA-N 0 0 457.534 4.892 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCCc2cc(C(=O)OC(C)(C)C)ccc21)c1ccc(Cl)cc1 ZINC001461448669 1067859115 /nfs/dbraw/zinc/85/91/15/1067859115.db2.gz AMZKXGCOVKNAHH-NRFANRHFSA-N 0 0 456.970 4.842 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447577 1067859136 /nfs/dbraw/zinc/85/91/36/1067859136.db2.gz NKWYNWWTUNMEQE-BZNIZROVSA-N 0 0 455.279 4.928 20 0 JJADRN O=C(c1sc2ncccc2c1Cl)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461451189 1067859880 /nfs/dbraw/zinc/85/98/80/1067859880.db2.gz YUTHPWLATOZKMO-GXTWGEPZSA-N 0 0 459.921 4.745 20 0 JJADRN Cc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1C ZINC001461450799 1067859965 /nfs/dbraw/zinc/85/99/65/1067859965.db2.gz ZNOBTDRDQZPRBA-HXUWFJFHSA-N 0 0 457.412 4.585 20 0 JJADRN Cc1nn(-c2ccccc2F)cc1CNCc1ccc(I)cc1Cl ZINC001461455127 1067860890 /nfs/dbraw/zinc/86/08/90/1067860890.db2.gz KXRHKNCVTVOLIV-UHFFFAOYSA-N 0 0 455.702 4.868 20 0 JJADRN COc1ccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OCC(C)C ZINC001461454549 1067860947 /nfs/dbraw/zinc/86/09/47/1067860947.db2.gz FUINCDWSYHQGIE-UHFFFAOYSA-N 0 0 452.599 4.523 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001461459360 1067861907 /nfs/dbraw/zinc/86/19/07/1067861907.db2.gz BFHHGNMQELIEDP-LJQANCHMSA-N 0 0 454.290 4.785 20 0 JJADRN COc1ccc(-c2n[nH]cc2CNCc2ccc(Cl)cc2I)cc1 ZINC001461461455 1067862749 /nfs/dbraw/zinc/86/27/49/1067862749.db2.gz JTGHAAWWRBCSTL-UHFFFAOYSA-N 0 0 453.711 4.633 20 0 JJADRN COC(=O)c1nc(CNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)ccc1Cl ZINC001461464061 1067863195 /nfs/dbraw/zinc/86/31/95/1067863195.db2.gz WZCFHBCDOBROSY-UHFFFAOYSA-N 0 0 454.697 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccccc2OC2CC2)C1 ZINC001461465802 1067863682 /nfs/dbraw/zinc/86/36/82/1067863682.db2.gz BGORHADADQVAOD-IFMALSPDSA-N 0 0 454.542 4.890 20 0 JJADRN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461467929 1067864973 /nfs/dbraw/zinc/86/49/73/1067864973.db2.gz NUKRQLPWKSEABR-IWMITWMQSA-N 0 0 459.562 4.834 20 0 JJADRN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)O2 ZINC001461469429 1067865373 /nfs/dbraw/zinc/86/53/73/1067865373.db2.gz GFHNFIZODBZZAN-AKFKNWHVSA-N 0 0 468.569 4.737 20 0 JJADRN CO[C@@](C)(CNC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C)COCc1ccccc1 ZINC001461470677 1067865816 /nfs/dbraw/zinc/86/58/16/1067865816.db2.gz CPEPKLJLPONDCU-NDEPHWFRSA-N 0 0 457.574 4.994 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C/c2ccccc2F)cc1F ZINC001461471756 1067866063 /nfs/dbraw/zinc/86/60/63/1067866063.db2.gz NOVHQFWAICMIJY-LBGHRLISSA-N 0 0 472.532 4.896 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)no1 ZINC001461471691 1067866201 /nfs/dbraw/zinc/86/62/01/1067866201.db2.gz RPJNFMLCSPCBBH-AVRWGWEMSA-N 0 0 457.640 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001461472417 1067866449 /nfs/dbraw/zinc/86/64/49/1067866449.db2.gz ANBHUHPZYYIFQJ-JPAWQOSXSA-N 0 0 456.533 4.978 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc3c2CCOC3)cc1 ZINC001461473769 1067867191 /nfs/dbraw/zinc/86/71/91/1067867191.db2.gz FSZHWWLPNYUNSI-ZCYQVOJMSA-N 0 0 480.605 4.681 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Cl)cc(OC)c2)cc1 ZINC001461473991 1067867382 /nfs/dbraw/zinc/86/73/82/1067867382.db2.gz HMUBIEZYNCDQMI-VXKWHMMOSA-N 0 0 474.985 4.880 20 0 JJADRN CO[C@](C)(CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)COCc1ccccc1 ZINC001461475912 1067868072 /nfs/dbraw/zinc/86/80/72/1067868072.db2.gz MHXDNSFGGXUUFB-RUZDIDTESA-N 0 0 455.986 4.553 20 0 JJADRN CCOc1c(F)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001461476003 1067868478 /nfs/dbraw/zinc/86/84/78/1067868478.db2.gz KBPKJDYTHOGZPD-UGKGYDQZSA-N 0 0 472.557 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(Br)cn2)C1 ZINC001461476299 1067868495 /nfs/dbraw/zinc/86/84/95/1067868495.db2.gz LJGVYZGMLWNTDC-IEBWSBKVSA-N 0 0 478.362 4.506 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CSCc3ccc(Br)cc32)CCC1 ZINC001461476678 1067868751 /nfs/dbraw/zinc/86/87/51/1067868751.db2.gz VKBLIVVZCIMPJF-MRXNPFEDSA-N 0 0 455.418 4.691 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)c1nsc2ccccc21 ZINC001461476728 1067868946 /nfs/dbraw/zinc/86/89/46/1067868946.db2.gz YKGAIXQQGUBQLV-UHFFFAOYSA-N 0 0 458.465 4.963 20 0 JJADRN CC(C)n1ncc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)cnc21 ZINC001461478103 1067869372 /nfs/dbraw/zinc/86/93/72/1067869372.db2.gz PBWSRSKTWGQCKS-FGZHOGPDSA-N 0 0 481.572 4.674 20 0 JJADRN COc1ccc(N2C[C@@H](NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)CC2=O)cc1 ZINC001461479254 1067869960 /nfs/dbraw/zinc/86/99/60/1067869960.db2.gz NTWRQNSDOMQFNB-MHECFPHRSA-N 0 0 450.535 4.589 20 0 JJADRN COc1ccc(N2C[C@H](NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)CC2=O)cc1 ZINC001461479251 1067870091 /nfs/dbraw/zinc/87/00/91/1067870091.db2.gz NTWRQNSDOMQFNB-KOSHJBKYSA-N 0 0 450.535 4.589 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCCc2ccccn2)cc1 ZINC001461481126 1067870818 /nfs/dbraw/zinc/87/08/18/1067870818.db2.gz XUNRQSWSAJWTCQ-ZEQRLZLVSA-N 0 0 467.610 4.712 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H]2CCO[C@@H](CC)C2)cc1 ZINC001461481623 1067871344 /nfs/dbraw/zinc/87/13/44/1067871344.db2.gz ZVSHGHJSDFEPRQ-OHCFRWENSA-N 0 0 474.642 4.890 20 0 JJADRN COc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)OC(C)(C)C)c(OC2CCCC2)c1 ZINC001461481697 1067871361 /nfs/dbraw/zinc/87/13/61/1067871361.db2.gz VUFXTZMISUFJLI-UHFFFAOYSA-N 0 0 451.523 4.872 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC001461486928 1067872756 /nfs/dbraw/zinc/87/27/56/1067872756.db2.gz ZTZZEIMRMTVARC-DEOSSOPVSA-N 0 0 452.576 4.682 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC001461487726 1067873020 /nfs/dbraw/zinc/87/30/20/1067873020.db2.gz WHVRWDCQZSDLKJ-IBGZPJMESA-N 0 0 450.988 4.767 20 0 JJADRN O=S(=O)(NCc1ccco1)c1cccc(NCc2cc(Cl)ccc2Br)c1 ZINC001461488613 1067873499 /nfs/dbraw/zinc/87/34/99/1067873499.db2.gz UOAWBXFIFWWHOH-UHFFFAOYSA-N 0 0 455.761 4.786 20 0 JJADRN COc1cc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc(Cl)c1OC ZINC001461493562 1067875502 /nfs/dbraw/zinc/87/55/02/1067875502.db2.gz ZIPOMHCMYIDMRM-UHFFFAOYSA-N 0 0 453.004 4.923 20 0 JJADRN COc1ccc(-c2ccccc2C)cc1CNc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC001461496430 1067875742 /nfs/dbraw/zinc/87/57/42/1067875742.db2.gz SGFZEVDSPUTTCH-UHFFFAOYSA-N 0 0 452.576 4.732 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1nc2cc(Br)ccc2o1 ZINC001461496446 1067876248 /nfs/dbraw/zinc/87/62/48/1067876248.db2.gz SXIQBOWEEDVJAK-UHFFFAOYSA-N 0 0 452.374 4.540 20 0 JJADRN COc1c(Br)cc(CNc2ccc3ccn(C)c(=O)c3c2)cc1Br ZINC001461496780 1067876271 /nfs/dbraw/zinc/87/62/71/1067876271.db2.gz ZIHBDGYFVFHMOM-UHFFFAOYSA-N 0 0 452.146 4.684 20 0 JJADRN COc1c(NCc2csc(-c3cccc(Br)c3)n2)cc(Cl)cc1C(N)=O ZINC001461497716 1067876495 /nfs/dbraw/zinc/87/64/95/1067876495.db2.gz HREZOQHZKOJEDT-UHFFFAOYSA-N 0 0 452.761 4.946 20 0 JJADRN Cc1cc(CNCc2ncc(I)s2)cc(NC(=O)OC(C)(C)C)c1 ZINC001461500532 1067877284 /nfs/dbraw/zinc/87/72/84/1067877284.db2.gz NNBOKIBALSICEY-UHFFFAOYSA-N 0 0 459.353 4.693 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@@]3(C)Cc3ccccc3Cl)c(C)c12 ZINC001461505526 1067878265 /nfs/dbraw/zinc/87/82/65/1067878265.db2.gz NAQIYUQCSDFMGP-VWLOTQADSA-N 0 0 455.002 4.804 20 0 JJADRN CN1C[C@@H](C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)c2ccccc2C1=O ZINC001461505818 1067878357 /nfs/dbraw/zinc/87/83/57/1067878357.db2.gz PCVLWPZCCFXCJU-LJQANCHMSA-N 0 0 456.424 4.532 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)Nc3ccc(-n4ccccc4=O)cc3F)c2C(F)(F)F)cc1 ZINC001461507313 1067878870 /nfs/dbraw/zinc/87/88/70/1067878870.db2.gz AHBTULGNVJVUSO-UHFFFAOYSA-N 0 0 456.399 4.742 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(OC4CC4)cc3)CC2)cc1 ZINC001461519902 1067880577 /nfs/dbraw/zinc/88/05/77/1067880577.db2.gz OULZLGSWWBEQQF-UHFFFAOYSA-N 0 0 457.592 4.532 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC001461524641 1067880829 /nfs/dbraw/zinc/88/08/29/1067880829.db2.gz WHUHNHGUAQFZNX-UHFFFAOYSA-N 0 0 450.134 4.673 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001461524695 1067880846 /nfs/dbraw/zinc/88/08/46/1067880846.db2.gz XYSUYQZUFFNITQ-CYBMUJFWSA-N 0 0 454.162 4.982 20 0 JJADRN CCc1ccc(C)nc1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC001461524461 1067880898 /nfs/dbraw/zinc/88/08/98/1067880898.db2.gz PDSIZRIRLGDOOT-UHFFFAOYSA-N 0 0 457.983 4.679 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1cc(F)c(Cl)nc1Cl ZINC001461526038 1067881294 /nfs/dbraw/zinc/88/12/94/1067881294.db2.gz BMWSIFOKUMVFFQ-UHFFFAOYSA-N 0 0 459.473 4.716 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1cn(CCc2ccccc2)nn1 ZINC001461526497 1067881354 /nfs/dbraw/zinc/88/13/54/1067881354.db2.gz DTXQGKPROYATMP-UHFFFAOYSA-N 0 0 453.384 4.873 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CNc1ccn(-c2ccc(Br)cc2)n1 ZINC001461528547 1067881744 /nfs/dbraw/zinc/88/17/44/1067881744.db2.gz KRTZQIXPZRHZSF-UHFFFAOYSA-N 0 0 454.777 4.694 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F ZINC001461528816 1067881910 /nfs/dbraw/zinc/88/19/10/1067881910.db2.gz PBFWFLWFWXFBDU-QGZVFWFLSA-N 0 0 458.230 4.573 20 0 JJADRN O=C(CO[C@H]1CCCc2ccccc21)NCc1cc(Cl)ccc1I ZINC001461530346 1067881991 /nfs/dbraw/zinc/88/19/91/1067881991.db2.gz SKYMQYWRZXEOAY-SFHVURJKSA-N 0 0 455.723 4.655 20 0 JJADRN CC1(C)CNC(=O)c2c(C(=O)NC3(c4ccc(Br)cc4)CCCCC3)coc2C1 ZINC001461530070 1067882189 /nfs/dbraw/zinc/88/21/89/1067882189.db2.gz QMHXKZORJXTTMM-UHFFFAOYSA-N 0 0 459.384 4.944 20 0 JJADRN COC[C@@H](CCNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)OC ZINC001461535489 1067883659 /nfs/dbraw/zinc/88/36/59/1067883659.db2.gz YFKSUZJAWVRNNQ-MRXNPFEDSA-N 0 0 454.379 4.689 20 0 JJADRN Cc1ccc(-n2cc(C(=O)NCC(=O)OCc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC001546125187 1067885106 /nfs/dbraw/zinc/88/51/06/1067885106.db2.gz YQKMLKMPPPWVMU-UHFFFAOYSA-N 0 0 459.933 4.974 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2ncccc2C(=O)OC(C)(C)C)cc1 ZINC001461556971 1067887509 /nfs/dbraw/zinc/88/75/09/1067887509.db2.gz DQHQUVXFKIVKOM-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001461555016 1067887600 /nfs/dbraw/zinc/88/76/00/1067887600.db2.gz ZWYBPVGWGYDKBT-UHFFFAOYSA-N 0 0 450.970 4.841 20 0 JJADRN CC(C)(C)OC(=O)c1cccnc1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001461558479 1067887934 /nfs/dbraw/zinc/88/79/34/1067887934.db2.gz NRDJTAUNNSBLBJ-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN Cc1cc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)ncc1Br ZINC001461558692 1067888147 /nfs/dbraw/zinc/88/81/47/1067888147.db2.gz IMTQJARZQRZTAK-UHFFFAOYSA-N 0 0 458.809 4.593 20 0 JJADRN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001461563993 1067889393 /nfs/dbraw/zinc/88/93/93/1067889393.db2.gz ISWNCBLGZAWTEI-IYBDPMFKSA-N 0 0 454.521 4.629 20 0 JJADRN O=C(Nc1cccc(Br)c1F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001461569386 1067890688 /nfs/dbraw/zinc/89/06/88/1067890688.db2.gz CHGFMDOGWCIMBL-UHFFFAOYSA-N 0 0 459.138 4.909 20 0 JJADRN Cc1ccc(C(F)(F)F)c(NC(=O)c2cnn(C(C)(C)C)c2I)c1 ZINC001461568945 1067890880 /nfs/dbraw/zinc/89/08/80/1067890880.db2.gz IXBHPSPKOXNKGZ-UHFFFAOYSA-N 0 0 451.230 4.822 20 0 JJADRN O=S(=O)(c1cccc(NCC2=Cc3cc(Cl)cc(Cl)c3OC2)c1)C1CCOCC1 ZINC001461571118 1067891033 /nfs/dbraw/zinc/89/10/33/1067891033.db2.gz KEJZYGNNTTXLBG-UHFFFAOYSA-N 0 0 454.375 4.834 20 0 JJADRN CCOc1cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)ccc1OCCOc1cccc(Cl)c1 ZINC001461571962 1067891243 /nfs/dbraw/zinc/89/12/43/1067891243.db2.gz YFFYTFNLJAYNJT-KNQAVFIVSA-N 0 0 455.929 4.835 20 0 JJADRN O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cc(F)cc(Br)c1 ZINC001461575442 1067891487 /nfs/dbraw/zinc/89/14/87/1067891487.db2.gz CMSGIXXCJIUGTE-NRFANRHFSA-N 0 0 453.311 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(Br)cc2Cl)C12CCC2 ZINC001461573949 1067891566 /nfs/dbraw/zinc/89/15/66/1067891566.db2.gz ISVJLCCDVUMLBB-INIZCTEOSA-N 0 0 457.796 4.693 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Oc2cnn(-c3ccccc3)c2)c1 ZINC001461574415 1067891806 /nfs/dbraw/zinc/89/18/06/1067891806.db2.gz FECQOHKAQFOXKS-UHFFFAOYSA-N 0 0 459.527 4.831 20 0 JJADRN CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CCCSc1ccc(Br)cc1 ZINC001461583175 1067894154 /nfs/dbraw/zinc/89/41/54/1067894154.db2.gz HANHTXPBHKBZHK-IBGZPJMESA-N 0 0 452.370 4.604 20 0 JJADRN Cn1c(CN[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)nc2cc(C(F)(F)F)ccc21 ZINC001461584433 1067894267 /nfs/dbraw/zinc/89/42/67/1067894267.db2.gz RVXOUTFRPWDGCI-CQSZACIVSA-N 0 0 454.415 4.527 20 0 JJADRN CNS(=O)(=O)c1ccc(NCc2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 ZINC001461587329 1067894817 /nfs/dbraw/zinc/89/48/17/1067894817.db2.gz CKPBKGDDQXUDDD-UHFFFAOYSA-N 0 0 450.539 4.507 20 0 JJADRN COc1cc(CNc2ccc(N(C)C(C)=O)nc2)ccc1OCCOc1ccccc1Cl ZINC001461594063 1067896352 /nfs/dbraw/zinc/89/63/52/1067896352.db2.gz XJPIYDNKHJTMKR-UHFFFAOYSA-N 0 0 455.942 4.796 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3C[C@H](c4cccc(Cl)c4)OCC3(C)C)c2)o1 ZINC001461595523 1067897147 /nfs/dbraw/zinc/89/71/47/1067897147.db2.gz FVBDJEWZTIDYQF-HXUWFJFHSA-N 0 0 455.942 4.571 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC001546125618 1067897674 /nfs/dbraw/zinc/89/76/74/1067897674.db2.gz HYMZTELPXDBNMU-MOPGFXCFSA-N 0 0 460.594 4.768 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)C2)c1 ZINC001461597939 1067897890 /nfs/dbraw/zinc/89/78/90/1067897890.db2.gz BOJSVQWUVAZAQY-PXJZQJOASA-N 0 0 458.602 4.722 20 0 JJADRN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1cc2c(c(Br)c1)OCO2 ZINC001461601998 1067899559 /nfs/dbraw/zinc/89/95/59/1067899559.db2.gz AXVCRRXHQCUANN-UHFFFAOYSA-N 0 0 453.264 4.756 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001461603014 1067899576 /nfs/dbraw/zinc/89/95/76/1067899576.db2.gz APLJFPMUKXYQNU-IBGZPJMESA-N 0 0 455.954 4.809 20 0 JJADRN CC[C@@]1(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001461604358 1067899860 /nfs/dbraw/zinc/89/98/60/1067899860.db2.gz HTCBDGBAOUPMKX-JOCHJYFZSA-N 0 0 451.539 4.988 20 0 JJADRN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C12CCC2 ZINC001461606788 1067900448 /nfs/dbraw/zinc/90/04/48/1067900448.db2.gz WWKBGXDTXNRUDE-GJZGRUSLSA-N 0 0 456.896 4.796 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C12CCC2 ZINC001461606792 1067900458 /nfs/dbraw/zinc/90/04/58/1067900458.db2.gz WWKBGXDTXNRUDE-LSDHHAIUSA-N 0 0 456.896 4.796 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001461606586 1067900497 /nfs/dbraw/zinc/90/04/97/1067900497.db2.gz INYBOIQYLNSHKT-OALUTQOASA-N 0 0 455.332 4.981 20 0 JJADRN CC[C@@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001461610323 1067901140 /nfs/dbraw/zinc/90/11/40/1067901140.db2.gz SXKFUWUFZXOGBG-JOCHJYFZSA-N 0 0 451.539 4.988 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CCCCC1 ZINC001461609952 1067901218 /nfs/dbraw/zinc/90/12/18/1067901218.db2.gz HOHPXGXISHHRJD-UHFFFAOYSA-N 0 0 454.617 4.954 20 0 JJADRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001461613027 1067901841 /nfs/dbraw/zinc/90/18/41/1067901841.db2.gz LACSOOIODJYIEY-FQEVSTJZSA-N 0 0 458.331 4.766 20 0 JJADRN CC(C)(C)OC(=O)Cn1cc(NCc2c(F)ccc(C(F)(F)F)c2Br)cn1 ZINC001461612439 1067901866 /nfs/dbraw/zinc/90/18/66/1067901866.db2.gz MANCKSAINCRFBS-UHFFFAOYSA-N 0 0 452.246 4.757 20 0 JJADRN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(I)cc(C(F)(F)F)c1 ZINC001461621023 1067903297 /nfs/dbraw/zinc/90/32/97/1067903297.db2.gz OWALTHVRQYXKBR-YOEHRIQHSA-N 0 0 475.248 4.613 20 0 JJADRN Cn1nc(Cl)c(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)c1Cl ZINC001461625706 1067904427 /nfs/dbraw/zinc/90/44/27/1067904427.db2.gz CYGMDPDSBCZSJB-UHFFFAOYSA-N 0 0 451.001 4.779 20 0 JJADRN Cc1cc(CNCc2cc(Cl)ccc2I)ncc1Br ZINC001461625896 1067904499 /nfs/dbraw/zinc/90/44/99/1067904499.db2.gz BOZHEKJEYPNNAA-UHFFFAOYSA-N 0 0 451.533 4.700 20 0 JJADRN C[C@]1(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)COc2ccccc2O1 ZINC001461627406 1067904883 /nfs/dbraw/zinc/90/48/83/1067904883.db2.gz IFULXUUCTGJIDY-MRXNPFEDSA-N 0 0 450.182 4.655 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001461626965 1067904900 /nfs/dbraw/zinc/90/49/00/1067904900.db2.gz JBMYXVPLBUPPNS-SXLOBPIMSA-N 0 0 477.786 4.876 20 0 JJADRN C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC001461629951 1067905672 /nfs/dbraw/zinc/90/56/72/1067905672.db2.gz ISDBHWNGYOUKDS-ZDUSSCGKSA-N 0 0 452.190 4.621 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)cc1F ZINC001461636366 1067906846 /nfs/dbraw/zinc/90/68/46/1067906846.db2.gz AOTJLWMUNQHUKN-ROUUACIJSA-N 0 0 451.494 4.763 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3cc(Br)cnc3n2C)cc1 ZINC001461638848 1067907345 /nfs/dbraw/zinc/90/73/45/1067907345.db2.gz XYUASWSKNTXEEF-UHFFFAOYSA-N 0 0 459.344 4.959 20 0 JJADRN CC(=O)N(C)c1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 ZINC001461642638 1067908164 /nfs/dbraw/zinc/90/81/64/1067908164.db2.gz VIBJFIJXJMKVDL-UHFFFAOYSA-N 0 0 459.377 4.638 20 0 JJADRN O=C(OCc1ccccc1)N1CCC(NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC001461647574 1067908872 /nfs/dbraw/zinc/90/88/72/1067908872.db2.gz KNDPZZQRYMKDMA-UHFFFAOYSA-N 0 0 453.327 4.932 20 0 JJADRN C[C@@H]1CCCN(C(=O)C2(c3cncc(Br)c3)CC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461652066 1067910179 /nfs/dbraw/zinc/91/01/79/1067910179.db2.gz OLZRPFHPJATNRR-VQIMIIECSA-N 0 0 480.447 4.808 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC001461652160 1067910414 /nfs/dbraw/zinc/91/04/14/1067910414.db2.gz ZTIONKKREDZURF-DENIHFKCSA-N 0 0 453.970 4.802 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461654241 1067910866 /nfs/dbraw/zinc/91/08/66/1067910866.db2.gz ZYVJQSCEWLESSI-ZACQAIPSSA-N 0 0 469.420 4.677 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)CCCCOc2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001461656872 1067911699 /nfs/dbraw/zinc/91/16/99/1067911699.db2.gz JAKPIDBLRWFOOI-RBUKOAKNSA-N 0 0 469.420 4.902 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001461661774 1067912458 /nfs/dbraw/zinc/91/24/58/1067912458.db2.gz OYWKKTOVJAAFHA-BOUXLOLZSA-N 0 0 464.484 4.937 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001461662034 1067912902 /nfs/dbraw/zinc/91/29/02/1067912902.db2.gz NDGRRZDVSHPIAX-VOQZNFBZSA-N 0 0 480.049 4.839 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001461662037 1067912918 /nfs/dbraw/zinc/91/29/18/1067912918.db2.gz NDGRRZDVSHPIAX-ZPMCFJSWSA-N 0 0 480.049 4.839 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001461662092 1067912928 /nfs/dbraw/zinc/91/29/28/1067912928.db2.gz NOCSIMRGVKQLTC-LPHOPBHVSA-N 0 0 456.999 4.837 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001461665093 1067913905 /nfs/dbraw/zinc/91/39/05/1067913905.db2.gz UTULLAACPLXVMT-WMZOPIPTSA-N 0 0 457.372 4.541 20 0 JJADRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNCc1ccnc(N2CCSCC2)c1 ZINC001461671340 1067915004 /nfs/dbraw/zinc/91/50/04/1067915004.db2.gz YUMAAVJKEGKSIH-UHFFFAOYSA-N 0 0 456.059 4.946 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001461678930 1067916915 /nfs/dbraw/zinc/91/69/15/1067916915.db2.gz RHFXRXYVNAMLMQ-OAQYLSRUSA-N 0 0 452.501 4.557 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)c(OCC(F)F)c1 ZINC001461679791 1067916944 /nfs/dbraw/zinc/91/69/44/1067916944.db2.gz HGOIXLKDLFFEMS-UHFFFAOYSA-N 0 0 454.401 4.771 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001461681273 1067917506 /nfs/dbraw/zinc/91/75/06/1067917506.db2.gz BGZJDAQBSTYMHF-SLSDUTBNSA-N 0 0 463.759 4.517 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(F)F)C3CCCCC3)CC2)cc1 ZINC001461683985 1067917766 /nfs/dbraw/zinc/91/77/66/1067917766.db2.gz SRSJCLCNFDCGRW-OAQYLSRUSA-N 0 0 456.599 4.541 20 0 JJADRN O=C(N[C@H](C(F)F)C1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001461682848 1067917854 /nfs/dbraw/zinc/91/78/54/1067917854.db2.gz PUYNFAFJJHNNHQ-SFHVURJKSA-N 0 0 457.359 4.632 20 0 JJADRN Cc1cc2nc(NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)cc(Cl)n2n1 ZINC001461684564 1067917911 /nfs/dbraw/zinc/91/79/11/1067917911.db2.gz OMXYWXNVKGROGG-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC[C@H]1F ZINC001461702410 1067921505 /nfs/dbraw/zinc/92/15/05/1067921505.db2.gz NLVDUERGRAAWNN-NHCUHLMSSA-N 0 0 456.562 4.743 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001461705651 1067922445 /nfs/dbraw/zinc/92/24/45/1067922445.db2.gz OJAWJZZDPCFCOA-JOCHJYFZSA-N 0 0 454.954 4.548 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)OC)CC2)CCC1 ZINC001546126426 1067922460 /nfs/dbraw/zinc/92/24/60/1067922460.db2.gz WXPBKLKMZDFOPK-FQEVSTJZSA-N 0 0 455.603 4.504 20 0 JJADRN Cc1c(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001461707757 1067922668 /nfs/dbraw/zinc/92/26/68/1067922668.db2.gz WQXJQEKOHYVJHF-QFIPXVFZSA-N 0 0 451.954 4.915 20 0 JJADRN CCN(C(=O)c1cc2ncc(Br)cn2n1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461712285 1067923166 /nfs/dbraw/zinc/92/31/66/1067923166.db2.gz HRBZGTAHDPENQP-GFCCVEGCSA-N 0 0 455.278 4.604 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)c(OC)c1 ZINC001461714555 1067923596 /nfs/dbraw/zinc/92/35/96/1067923596.db2.gz NAAZJSSWAAVYRE-UHFFFAOYSA-N 0 0 457.534 4.608 20 0 JJADRN COc1ccc(C2(C(=O)NCc3cccc(COC[C@@H]4CCCO4)c3)CCCC2)cc1OC ZINC001461713122 1067923610 /nfs/dbraw/zinc/92/36/10/1067923610.db2.gz IDTSTBIDGFCIQB-QHCPKHFHSA-N 0 0 453.579 4.528 20 0 JJADRN COc1ccc(C2(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)CCCC2)cc1OC ZINC001461713108 1067923656 /nfs/dbraw/zinc/92/36/56/1067923656.db2.gz IDTSTBIDGFCIQB-HSZRJFAPSA-N 0 0 453.579 4.528 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1 ZINC001461716938 1067924015 /nfs/dbraw/zinc/92/40/15/1067924015.db2.gz MNKYEAMUGZNNPR-GOSISDBHSA-N 0 0 452.454 4.510 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)=NN1c1ccccc1 ZINC001461720632 1067924828 /nfs/dbraw/zinc/92/48/28/1067924828.db2.gz SXFIMUKPCGKZLL-IRLDBZIGSA-N 0 0 454.368 4.557 20 0 JJADRN CN(CCC(=O)N[C@@H]1CCCCc2cc(Br)ccc21)C(=O)OCc1ccccc1 ZINC001461718813 1067924881 /nfs/dbraw/zinc/92/48/81/1067924881.db2.gz RGHQMFKPIFRKLC-OAQYLSRUSA-N 0 0 459.384 4.992 20 0 JJADRN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cc(Br)cc2cccnc21 ZINC001461720850 1067925230 /nfs/dbraw/zinc/92/52/30/1067925230.db2.gz SPLXXMDZQNSIJJ-FQEVSTJZSA-N 0 0 455.352 4.623 20 0 JJADRN COc1cc(NC(=O)c2ccc(I)c(Cl)c2)ccc1OC(F)F ZINC001461722707 1067925498 /nfs/dbraw/zinc/92/54/98/1067925498.db2.gz YSGUIJPVPVYPTC-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN COc1cccc(CNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1C ZINC001461723018 1067925947 /nfs/dbraw/zinc/92/59/47/1067925947.db2.gz NETUZCKVGAHBLN-UHFFFAOYSA-N 0 0 454.368 4.761 20 0 JJADRN Cn1cc(C(=O)NCC(F)(F)c2ccc(Br)cc2)c(-c2cc(F)ccc2F)n1 ZINC001461726022 1067926704 /nfs/dbraw/zinc/92/67/04/1067926704.db2.gz BYBKORIAXMGWSX-UHFFFAOYSA-N 0 0 456.237 4.650 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001461734171 1067927381 /nfs/dbraw/zinc/92/73/81/1067927381.db2.gz AIMKMQZBBRYJLJ-URVUXULASA-N 0 0 452.599 4.686 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(F)cc1 ZINC001461737295 1067927768 /nfs/dbraw/zinc/92/77/68/1067927768.db2.gz ILJMMQXDUQBLGH-SXSDINLZSA-N 0 0 458.515 4.688 20 0 JJADRN CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cc(-c3ccc(Br)cc3)ns1)C2 ZINC001461736679 1067927829 /nfs/dbraw/zinc/92/78/29/1067927829.db2.gz BVSJPGDSFDLYQL-UHFFFAOYSA-N 0 0 457.397 4.859 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1 ZINC001461748646 1067929886 /nfs/dbraw/zinc/92/98/86/1067929886.db2.gz RKJJHMXLCAMRBR-LLVKDONJSA-N 0 0 455.964 4.658 20 0 JJADRN CCOc1cccc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1OC(F)F ZINC001461750969 1067930309 /nfs/dbraw/zinc/93/03/09/1067930309.db2.gz FDZCKKNWTSQKBU-INIZCTEOSA-N 0 0 454.539 4.719 20 0 JJADRN CC[C@H](C)[C@@H](OC)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461749237 1067930331 /nfs/dbraw/zinc/93/03/31/1067930331.db2.gz USELSSWXQHVJFR-GBXCKJPGSA-N 0 0 450.579 4.765 20 0 JJADRN Cc1ccc(-c2nc(CNc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001461756979 1067931492 /nfs/dbraw/zinc/93/14/92/1067931492.db2.gz RTFTZQZZJRXACP-ROUUACIJSA-N 0 0 457.621 4.529 20 0 JJADRN Cc1c(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)cccc1-c1ccccn1 ZINC001461758885 1067931823 /nfs/dbraw/zinc/93/18/23/1067931823.db2.gz VHNXFGPFAXBJPC-UHFFFAOYSA-N 0 0 451.526 4.518 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NCC(=O)OCc3ccc(Cl)cc3)s2)cc1 ZINC001546126894 1067931833 /nfs/dbraw/zinc/93/18/33/1067931833.db2.gz HQWNYSBLZAXRDA-UHFFFAOYSA-N 0 0 458.967 4.898 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)Nc1cc2ccc(Br)cc2nc1Cl ZINC001461758759 1067931877 /nfs/dbraw/zinc/93/18/77/1067931877.db2.gz NMJDMCKKABHTRN-KXFIGUGUSA-N 0 0 458.699 4.634 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC[C@@]3(c4ccccc4)CC3(C)C)cc2)c1C ZINC001461758614 1067931893 /nfs/dbraw/zinc/93/18/93/1067931893.db2.gz LFHLXBAAZIEKBH-MUUNZHRXSA-N 0 0 459.590 4.692 20 0 JJADRN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001461764334 1067932642 /nfs/dbraw/zinc/93/26/42/1067932642.db2.gz FRIPNMXELMLYJY-HNNXBMFYSA-N 0 0 454.773 4.881 20 0 JJADRN Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC001461766031 1067932729 /nfs/dbraw/zinc/93/27/29/1067932729.db2.gz IMITWZSHUGIBRU-HXUWFJFHSA-N 0 0 455.345 4.754 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)CC(F)(F)F ZINC001461768027 1067933449 /nfs/dbraw/zinc/93/34/49/1067933449.db2.gz VWQPUAVLQGEQKB-HZPDHXFCSA-N 0 0 450.473 4.644 20 0 JJADRN CC[C@@H](c1ccccc1)N(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC001461771147 1067933835 /nfs/dbraw/zinc/93/38/35/1067933835.db2.gz XGMSTUWAZCLQGB-YWZLYKJASA-N 0 0 457.368 4.822 20 0 JJADRN O=C([C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001461772326 1067934226 /nfs/dbraw/zinc/93/42/26/1067934226.db2.gz YSCKKGIJAWQHNO-IMJJTQAJSA-N 0 0 452.336 4.890 20 0 JJADRN O=C([C@H](C[C@H]1CCCO1)C(F)(F)F)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001461772329 1067934269 /nfs/dbraw/zinc/93/42/69/1067934269.db2.gz YSCKKGIJAWQHNO-KBMXLJTQSA-N 0 0 452.336 4.890 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC001461772215 1067934292 /nfs/dbraw/zinc/93/42/92/1067934292.db2.gz OXALYXDPNRJKFI-AWEZNQCLSA-N 0 0 455.683 4.617 20 0 JJADRN Brc1cncc(Br)c1CNc1ccc(-n2nnc3ccccc32)cc1 ZINC001461773766 1067934905 /nfs/dbraw/zinc/93/49/05/1067934905.db2.gz DWKHDSOWUQNOHJ-UHFFFAOYSA-N 0 0 459.145 4.953 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461774380 1067934949 /nfs/dbraw/zinc/93/49/49/1067934949.db2.gz BQYRXBQVNNAAPF-FQEVSTJZSA-N 0 0 453.468 4.647 20 0 JJADRN Cc1ccc(C(=O)N2Cc3ccc(C)c(Br)c3C2)cc1I ZINC001461776219 1067935278 /nfs/dbraw/zinc/93/52/78/1067935278.db2.gz HYQLFDXZVSRBMC-UHFFFAOYSA-N 0 0 456.121 4.827 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001461775122 1067935315 /nfs/dbraw/zinc/93/53/15/1067935315.db2.gz WSWHDEDRYVGPJT-UHFFFAOYSA-N 0 0 453.264 4.874 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)C2 ZINC001461780066 1067936082 /nfs/dbraw/zinc/93/60/82/1067936082.db2.gz UZJIDOKFHLPNQY-FQEVSTJZSA-N 0 0 457.368 4.791 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NCC(C1CCC1)C1CCC1 ZINC001461786977 1067937256 /nfs/dbraw/zinc/93/72/56/1067937256.db2.gz LCABIRIHGWVLJB-LJQANCHMSA-N 0 0 452.382 4.531 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NCC(C1CCC1)C1CCC1 ZINC001461786975 1067937262 /nfs/dbraw/zinc/93/72/62/1067937262.db2.gz LCABIRIHGWVLJB-IBGZPJMESA-N 0 0 452.382 4.531 20 0 JJADRN O=C(NCCc1ccc(I)cc1)c1cc(-c2ccccc2Cl)on1 ZINC001461787045 1067937288 /nfs/dbraw/zinc/93/72/88/1067937288.db2.gz QMCKCTLKRPEYFJ-UHFFFAOYSA-N 0 0 452.679 4.572 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC001461791099 1067937992 /nfs/dbraw/zinc/93/79/92/1067937992.db2.gz FGBGKXQTEZNYEC-DLBZAZTESA-N 0 0 455.380 4.810 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)NCC(F)(F)c1ccc(F)cc1 ZINC001461794786 1067938212 /nfs/dbraw/zinc/93/82/12/1067938212.db2.gz JYIICBVTVJCHCR-UHFFFAOYSA-N 0 0 451.080 4.801 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(Br)ncc1Cl ZINC001461795702 1067938637 /nfs/dbraw/zinc/93/86/37/1067938637.db2.gz FEXMRURXJWRMOU-UHFFFAOYSA-N 0 0 451.729 4.583 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001461803179 1067939306 /nfs/dbraw/zinc/93/93/06/1067939306.db2.gz CWKKXZREWUBOHT-NTKDMRAZSA-N 0 0 453.926 4.909 20 0 JJADRN CC(C)[C@H](C(=O)N1CCc2cc(Br)c(Br)cc2C1)c1cccnc1 ZINC001461803187 1067939389 /nfs/dbraw/zinc/93/93/89/1067939389.db2.gz GCCDWBWUDRSZQM-SFHVURJKSA-N 0 0 452.190 4.931 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805352 1067940145 /nfs/dbraw/zinc/94/01/45/1067940145.db2.gz PPJDWJHUEPZQIQ-LJQANCHMSA-N 0 0 451.489 4.982 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001461808547 1067940430 /nfs/dbraw/zinc/94/04/30/1067940430.db2.gz ZMONKQWLPFFADW-JVJLVOBOSA-N 0 0 450.988 4.855 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c2ccc(Br)cc2O1 ZINC001461813034 1067940946 /nfs/dbraw/zinc/94/09/46/1067940946.db2.gz KMHFLRCGERWWAE-OAHLLOKOSA-N 0 0 457.368 4.683 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461812517 1067940956 /nfs/dbraw/zinc/94/09/56/1067940956.db2.gz JFZYTPZFGLSJTE-RDJZCZTQSA-N 0 0 457.368 4.569 20 0 JJADRN CCCc1nc(C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)nn1-c1ccccc1F ZINC001461817534 1067941702 /nfs/dbraw/zinc/94/17/02/1067941702.db2.gz WSKDBWZVHSJUEG-CYBMUJFWSA-N 0 0 459.319 4.549 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccc(OC)n3)C(F)(F)F)CC2=O)cc1 ZINC001461824625 1067942590 /nfs/dbraw/zinc/94/25/90/1067942590.db2.gz ABPDKHMWJPQTKA-HRAATJIYSA-N 0 0 450.457 4.633 20 0 JJADRN Cc1ccc(OCc2nc(CNCc3cccc(S(=O)(=O)C(F)(F)F)c3)cs2)cc1 ZINC001461832808 1067943657 /nfs/dbraw/zinc/94/36/57/1067943657.db2.gz BYPWEEBYGRAXDQ-UHFFFAOYSA-N 0 0 456.511 4.614 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001461834021 1067943703 /nfs/dbraw/zinc/94/37/03/1067943703.db2.gz DBBPDOFHNWGMPG-BXKMTCNYSA-N 0 0 459.587 4.701 20 0 JJADRN CSCCCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)c1cccnc1 ZINC001461832313 1067943742 /nfs/dbraw/zinc/94/37/42/1067943742.db2.gz IVCITPFNZKXVFG-BGYRXZFFSA-N 0 0 455.624 4.650 20 0 JJADRN CCO[C@@H](C)c1noc(CN2CCN(Cc3c(Cl)cccc3Oc3ccccc3)CC2)n1 ZINC001461841564 1067945040 /nfs/dbraw/zinc/94/50/40/1067945040.db2.gz GFSLLWGKCKXKBR-SFHVURJKSA-N 0 0 456.974 4.931 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)on1 ZINC001461843666 1067945247 /nfs/dbraw/zinc/94/52/47/1067945247.db2.gz PPJTXGXUOADJCY-BXKMTCNYSA-N 0 0 457.596 4.795 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001461848315 1067946327 /nfs/dbraw/zinc/94/63/27/1067946327.db2.gz VLTWTIWITBJXBV-SFHVURJKSA-N 0 0 450.402 4.608 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC001461852276 1067947097 /nfs/dbraw/zinc/94/70/97/1067947097.db2.gz BRWWHULUIPCVQC-UHFFFAOYSA-N 0 0 450.695 4.866 20 0 JJADRN CSc1ccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)cc1Br ZINC001461854644 1067947778 /nfs/dbraw/zinc/94/77/78/1067947778.db2.gz LYJAUTIUWAFCHK-AWEZNQCLSA-N 0 0 459.406 4.526 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)Nc3csc(-c4ccc(Br)cc4)n3)C2)c1 ZINC001461855718 1067948198 /nfs/dbraw/zinc/94/81/98/1067948198.db2.gz ZGABXRQDPGZMDA-QGZVFWFLSA-N 0 0 458.337 4.713 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccc4c(c3)C[C@@H](C)O4)c2)cc1 ZINC001461862085 1067949281 /nfs/dbraw/zinc/94/92/81/1067949281.db2.gz QWQMCIBMPHJRDG-GOSISDBHSA-N 0 0 451.544 4.501 20 0 JJADRN COc1ccc(Br)cc1CN(C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001461860137 1067949307 /nfs/dbraw/zinc/94/93/07/1067949307.db2.gz AGXFZPSLXXIKAY-UHFFFAOYSA-N 0 0 456.171 4.977 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)cc1 ZINC001461862824 1067949805 /nfs/dbraw/zinc/94/98/05/1067949805.db2.gz DBKXXBZDMOMIPA-IYBDPMFKSA-N 0 0 452.942 4.704 20 0 JJADRN Cc1nc(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc1Br ZINC001461864511 1067949990 /nfs/dbraw/zinc/94/99/90/1067949990.db2.gz FBFNEOLGDKHZAX-UHFFFAOYSA-N 0 0 456.715 4.957 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@@H]1C ZINC001461865052 1067950027 /nfs/dbraw/zinc/95/00/27/1067950027.db2.gz IPTHWJLBIKYTCJ-DTTGVSNYSA-N 0 0 452.542 4.932 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1 ZINC001461864981 1067950130 /nfs/dbraw/zinc/95/01/30/1067950130.db2.gz FBRIVELMGUHMNA-HSZRJFAPSA-N 0 0 457.621 4.945 20 0 JJADRN COC[C@H](C)Oc1ccc(COC(=O)c2ccc(Br)cc2Br)cc1 ZINC001461867026 1067950457 /nfs/dbraw/zinc/95/04/57/1067950457.db2.gz JQKHEQFPVFWNTJ-LBPRGKRZSA-N 0 0 458.146 4.982 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@@H]1C ZINC001461871307 1067951385 /nfs/dbraw/zinc/95/13/85/1067951385.db2.gz VUKMLWUBHOFASC-NFAWXSAZSA-N 0 0 455.386 4.795 20 0 JJADRN COc1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c(Br)c1O ZINC001461872278 1067952117 /nfs/dbraw/zinc/95/21/17/1067952117.db2.gz PCJBZMKWBMJYSX-UHFFFAOYSA-N 0 0 458.274 4.676 20 0 JJADRN COCCN(CC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1SC)C(=O)OC(C)(C)C ZINC001461873166 1067952123 /nfs/dbraw/zinc/95/21/23/1067952123.db2.gz YWJDDWZWSHLXNN-UHFFFAOYSA-N 0 0 456.914 4.903 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)Cc2ccc(Br)c(F)c2)[C@H]1C ZINC001461879215 1067953232 /nfs/dbraw/zinc/95/32/32/1067953232.db2.gz VRZIQJLVHVHISW-YCPHGPKFSA-N 0 0 457.384 4.671 20 0 JJADRN COc1cc(NC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001461883720 1067954099 /nfs/dbraw/zinc/95/40/99/1067954099.db2.gz NTVOLRPHYICDOP-UHFFFAOYSA-N 0 0 451.523 4.741 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC001461886178 1067954937 /nfs/dbraw/zinc/95/49/37/1067954937.db2.gz CTUJJYXVTSHADW-INIZCTEOSA-N 0 0 458.521 4.865 20 0 JJADRN O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001461887693 1067954999 /nfs/dbraw/zinc/95/49/99/1067954999.db2.gz XUPJSAKXTLNPCY-UHFFFAOYSA-N 0 0 451.247 4.989 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC001461890519 1067955423 /nfs/dbraw/zinc/95/54/23/1067955423.db2.gz RJQINZJUFRHWOV-GOSISDBHSA-N 0 0 458.605 4.904 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccccc1C(=O)OC(C)(C)C ZINC001461894103 1067956217 /nfs/dbraw/zinc/95/62/17/1067956217.db2.gz BJMKFEYBNPEABE-ZDUSSCGKSA-N 0 0 452.320 4.627 20 0 JJADRN CCOC(=O)c1cccc(CN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)n1 ZINC001461893340 1067956279 /nfs/dbraw/zinc/95/62/79/1067956279.db2.gz CXMBDECOHMTMSG-UHFFFAOYSA-N 0 0 455.917 4.692 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001461898450 1067956994 /nfs/dbraw/zinc/95/69/94/1067956994.db2.gz GIDIAYKPWRNTOC-VWLOTQADSA-N 0 0 452.938 4.678 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@](C)(Cc3ccc(Cl)cc3)C(=O)OC)c12 ZINC001461900414 1067957488 /nfs/dbraw/zinc/95/74/88/1067957488.db2.gz IWLOTICBRFWTCM-DEOSSOPVSA-N 0 0 455.942 4.610 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC001461905123 1067958783 /nfs/dbraw/zinc/95/87/83/1067958783.db2.gz UOAAMZSETDBEPV-KRWDZBQOSA-N 0 0 457.333 4.843 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001546128005 1067959624 /nfs/dbraw/zinc/95/96/24/1067959624.db2.gz LVKAUDVDLPZEOU-OAHLLOKOSA-N 0 0 459.310 4.665 20 0 JJADRN CCC1(Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001546128008 1067959696 /nfs/dbraw/zinc/95/96/96/1067959696.db2.gz LVOARILMDBIOJG-UHFFFAOYSA-N 0 0 466.655 4.918 20 0 JJADRN Cc1ccccc1[C@@H](C)N(C)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC001461917230 1067960602 /nfs/dbraw/zinc/96/06/02/1067960602.db2.gz SKYUFDHQEUEWGE-GOSISDBHSA-N 0 0 454.617 4.637 20 0 JJADRN COc1cccc2c1OCC(C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)=C2 ZINC001461919234 1067961087 /nfs/dbraw/zinc/96/10/87/1067961087.db2.gz NPAQGBLWXIYOCQ-UHFFFAOYSA-N 0 0 456.420 4.994 20 0 JJADRN Cc1nn(C)c(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928319 1067962332 /nfs/dbraw/zinc/96/23/32/1067962332.db2.gz RIDDMLGXUAANRT-MRXNPFEDSA-N 0 0 450.425 4.767 20 0 JJADRN Cc1cc(C(=O)N2C[C@]3(C)CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)nn1-c1cccc(Cl)c1 ZINC001461931020 1067963252 /nfs/dbraw/zinc/96/32/52/1067963252.db2.gz FHABLPXHKSQGKF-PSWAGMNNSA-N 0 0 458.990 4.553 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN(C)CC(=O)Nc2ccc(C)cc2)cc1Br ZINC001461931720 1067963289 /nfs/dbraw/zinc/96/32/89/1067963289.db2.gz GWGJWDLIZCJKEC-OAHLLOKOSA-N 0 0 453.352 4.649 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461933508 1067963718 /nfs/dbraw/zinc/96/37/18/1067963718.db2.gz PNWHVQHDVMFOAY-UZQPLGKSSA-N 0 0 456.505 4.578 20 0 JJADRN COc1cccc(CN2CCN(C(=O)C(C)(C)c3csc(-c4ccccc4F)n3)CC2)c1 ZINC001461937456 1067964447 /nfs/dbraw/zinc/96/44/47/1067964447.db2.gz JKXMSOGFOSTOJT-UHFFFAOYSA-N 0 0 453.583 4.580 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c1 ZINC001461938834 1067964875 /nfs/dbraw/zinc/96/48/75/1067964875.db2.gz RANSCMNIBWODRG-LVXARBLLSA-N 0 0 454.636 4.796 20 0 JJADRN O[C@@H](C[C@@H]1COCCN1Cc1cc(Br)cc(Br)c1)c1ccccc1 ZINC001461942347 1067965208 /nfs/dbraw/zinc/96/52/08/1067965208.db2.gz KZUFXMVJHDHAHI-MOPGFXCFSA-N 0 0 455.190 4.536 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC001461943189 1067965608 /nfs/dbraw/zinc/96/56/08/1067965608.db2.gz RVWPVDKOAJHMCK-UHFFFAOYSA-N 0 0 454.206 4.807 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC001461943377 1067965979 /nfs/dbraw/zinc/96/59/79/1067965979.db2.gz UUMZBRPXLIEZQR-KRWDZBQOSA-N 0 0 457.409 4.631 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@]2(C)Cc2ccc(C)cc2)cc1 ZINC001461945325 1067966389 /nfs/dbraw/zinc/96/63/89/1067966389.db2.gz MZAJHEPZKKHNKK-SANMLTNESA-N 0 0 456.652 4.582 20 0 JJADRN CN(CCCN1c2ccccc2Sc2ccccc21)C(=O)Cn1cc(Br)cn1 ZINC001461956292 1067968760 /nfs/dbraw/zinc/96/87/60/1067968760.db2.gz RKZMGLVEWIOMGC-UHFFFAOYSA-N 0 0 457.397 4.797 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(I)cc2F)C2CCOCC2)cc1C ZINC001461957492 1067968839 /nfs/dbraw/zinc/96/88/39/1067968839.db2.gz LMBYTAFLKRLNAW-UHFFFAOYSA-N 0 0 453.295 4.873 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957798 1067968846 /nfs/dbraw/zinc/96/88/46/1067968846.db2.gz JHLUEPZFRHTLHU-ZDUSSCGKSA-N 0 0 455.759 4.670 20 0 JJADRN CCn1c(SCC(=O)N(c2ccc(C)c(C)c2)C2CCOCC2)nnc1-c1cccs1 ZINC001461959524 1067969281 /nfs/dbraw/zinc/96/92/81/1067969281.db2.gz RLXRGVWRYGYJTH-UHFFFAOYSA-N 0 0 456.637 4.948 20 0 JJADRN Cc1cc(SCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(C)cc1Br ZINC001461961268 1067969908 /nfs/dbraw/zinc/96/99/08/1067969908.db2.gz JZCZOCVSHWPDPZ-ZBFHGGJFSA-N 0 0 457.434 4.672 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)c1csc(Cl)n1 ZINC001461970438 1067971828 /nfs/dbraw/zinc/97/18/28/1067971828.db2.gz WNVWKYGAHPAPQF-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN CC[C@@H]1CCC[C@@H](CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971375 1067971925 /nfs/dbraw/zinc/97/19/25/1067971925.db2.gz PARSUTVXSQMQJX-HZPDHXFCSA-N 0 0 452.970 4.882 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)[C@H](CCc3ccccc3)C(F)F)cc2)c1C ZINC001461971287 1067972109 /nfs/dbraw/zinc/97/21/09/1067972109.db2.gz CNVCLTNIVRMDGM-JOCHJYFZSA-N 0 0 455.505 4.696 20 0 JJADRN CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001461975591 1067972955 /nfs/dbraw/zinc/97/29/55/1067972955.db2.gz LYPRWKFCIHUKLA-UHFFFAOYSA-N 0 0 451.350 4.575 20 0 JJADRN Cc1cc(Br)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1OC(F)F ZINC001461975369 1067973052 /nfs/dbraw/zinc/97/30/52/1067973052.db2.gz BTTLWGDUOACOIH-CQSZACIVSA-N 0 0 459.375 4.829 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2Cc3ccc(C(=O)OC)cc3C2)cc1Br ZINC001461977601 1067973397 /nfs/dbraw/zinc/97/33/97/1067973397.db2.gz UQSPTNYOFXVOMZ-ZDUSSCGKSA-N 0 0 452.320 4.572 20 0 JJADRN CC(C)Cn1nc(C(=O)N2CC(C)(C)c3cccc(Br)c32)c2ccccc2c1=O ZINC001461977333 1067973539 /nfs/dbraw/zinc/97/35/39/1067973539.db2.gz HTISJLHHKMLSOV-UHFFFAOYSA-N 0 0 454.368 4.753 20 0 JJADRN O=C(CC1CCCCC1)N1CCN(Cc2cc(Br)ccc2Br)CC1 ZINC001461983092 1067974271 /nfs/dbraw/zinc/97/42/71/1067974271.db2.gz OLAUYKDTYQQSCV-UHFFFAOYSA-N 0 0 458.238 4.826 20 0 JJADRN CN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@H](CCc1ccccc1)C(F)F ZINC001461983436 1067974779 /nfs/dbraw/zinc/97/47/79/1067974779.db2.gz ZTGIJSSRIPBPEH-HSZRJFAPSA-N 0 0 457.542 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001461985545 1067974869 /nfs/dbraw/zinc/97/48/69/1067974869.db2.gz XIGIOUZBYNLZQN-LJQANCHMSA-N 0 0 456.505 4.584 20 0 JJADRN COc1ccc(CN2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c(F)c1OC ZINC001461987030 1067975548 /nfs/dbraw/zinc/97/55/48/1067975548.db2.gz NSZDVVDMZKQUQE-UHFFFAOYSA-N 0 0 454.517 4.883 20 0 JJADRN CC1(C)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)c2ccccc21 ZINC001461993036 1067976612 /nfs/dbraw/zinc/97/66/12/1067976612.db2.gz UQBZBUOINQVGRM-INIZCTEOSA-N 0 0 459.359 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCC(C)(C)c2ccc3ccccc3c2)C1 ZINC001461993855 1067976672 /nfs/dbraw/zinc/97/66/72/1067976672.db2.gz XTAGKLPLUHCZKC-WXVAWEFUSA-N 0 0 452.595 4.507 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@H]1CCCC12CC2)Nc1ccc(Br)cc1 ZINC001461994590 1067976685 /nfs/dbraw/zinc/97/66/85/1067976685.db2.gz FTJDKRYEFTXFIU-MRXNPFEDSA-N 0 0 457.368 4.777 20 0 JJADRN O=C(NCc1ccccc1CC(F)(F)F)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001461997332 1067977141 /nfs/dbraw/zinc/97/71/41/1067977141.db2.gz NZTNPKBGXNHGQT-UHFFFAOYSA-N 0 0 456.251 4.574 20 0 JJADRN C[C@@H](c1ccccc1)N1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001461999811 1067977970 /nfs/dbraw/zinc/97/79/70/1067977970.db2.gz RKKJGVBHBUKTKL-QHCPKHFHSA-N 0 0 455.602 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN(Cc2ccco2)Cc2ccccc2)C1 ZINC001462004704 1067978536 /nfs/dbraw/zinc/97/85/36/1067978536.db2.gz HXNYWKHCHUYAMH-OAQYLSRUSA-N 0 0 451.571 4.646 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1nccn1C1CC1 ZINC001462005509 1067978666 /nfs/dbraw/zinc/97/86/66/1067978666.db2.gz QXKMXYHBJFQUBB-UHFFFAOYSA-N 0 0 459.594 4.531 20 0 JJADRN COc1ccccc1N1CCN(Cc2cc(Br)c(C)cc2Br)CC1 ZINC001462008125 1067979010 /nfs/dbraw/zinc/97/90/10/1067979010.db2.gz OZWSFLLABAXANW-UHFFFAOYSA-N 0 0 454.206 4.851 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 ZINC001462007381 1067979033 /nfs/dbraw/zinc/97/90/33/1067979033.db2.gz MWUQVWGSQARQEG-UONOGXRCSA-N 0 0 481.286 4.738 20 0 JJADRN CCN1c2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cc2OCC(C)(C)C1=O ZINC001462009677 1067979692 /nfs/dbraw/zinc/97/96/92/1067979692.db2.gz LRFVFUJNEBGJAT-UHFFFAOYSA-N 0 0 452.942 4.858 20 0 JJADRN Cc1c(Cl)cccc1OCC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001462013055 1067980378 /nfs/dbraw/zinc/98/03/78/1067980378.db2.gz VTGWYACAHLKFAS-UHFFFAOYSA-N 0 0 450.760 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC001462012907 1067980392 /nfs/dbraw/zinc/98/03/92/1067980392.db2.gz SAIAIQZRQKSPOB-QHCPKHFHSA-N 0 0 452.551 4.890 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)N[C@@H]3CCCC[C@@H]3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001462013132 1067980416 /nfs/dbraw/zinc/98/04/16/1067980416.db2.gz RBPRHODEZPRDGW-QENXHYHDSA-N 0 0 454.542 4.585 20 0 JJADRN CO[C@H](C(=O)N(C)Cc1ccc(Br)cc1F)c1ccc(Br)s1 ZINC001462014767 1067980920 /nfs/dbraw/zinc/98/09/20/1067980920.db2.gz QIFFPCAQKAHHLG-AWEZNQCLSA-N 0 0 451.155 4.758 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC001462014104 1067980961 /nfs/dbraw/zinc/98/09/61/1067980961.db2.gz LWDWAUIXVBUDGF-UHFFFAOYSA-N 0 0 454.296 4.528 20 0 JJADRN CC[C@@H](C)NC(=O)CN1CCN(Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001462014784 1067981463 /nfs/dbraw/zinc/98/14/63/1067981463.db2.gz LDSJKKPOCMFUDD-QGZVFWFLSA-N 0 0 450.410 4.818 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CNc1ccccc1N1CCC(CO)CC1 ZINC001462016147 1067981499 /nfs/dbraw/zinc/98/14/99/1067981499.db2.gz YJOVGQLMSSIFOB-UHFFFAOYSA-N 0 0 455.400 4.764 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC001462018122 1067982395 /nfs/dbraw/zinc/98/23/95/1067982395.db2.gz KIIKBENAABRONZ-UHFFFAOYSA-N 0 0 459.342 4.580 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1snc(OC)c1Br ZINC001462020363 1067982439 /nfs/dbraw/zinc/98/24/39/1067982439.db2.gz ILCKVOTXTFUGNY-UHFFFAOYSA-N 0 0 453.189 4.682 20 0 JJADRN O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001462022643 1067982819 /nfs/dbraw/zinc/98/28/19/1067982819.db2.gz VWCPOKJXDWOWIJ-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN CCN(Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC001462022635 1067982857 /nfs/dbraw/zinc/98/28/57/1067982857.db2.gz JQKKHFDLPAGJRO-UHFFFAOYSA-N 0 0 454.596 4.712 20 0 JJADRN O=C(c1cc(Br)c2nccn2c1)N1CCc2cc(Br)c(Cl)cc21 ZINC001462023775 1067983299 /nfs/dbraw/zinc/98/32/99/1067983299.db2.gz ZIRUERZIXOBUKJ-UHFFFAOYSA-N 0 0 455.537 4.716 20 0 JJADRN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462026397 1067984087 /nfs/dbraw/zinc/98/40/87/1067984087.db2.gz PBGBJTMQBQLTMC-LPHOPBHVSA-N 0 0 454.368 4.504 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(N[C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC001462026127 1067984173 /nfs/dbraw/zinc/98/41/73/1067984173.db2.gz LEVXLTMWJUTYJN-SFHVURJKSA-N 0 0 458.514 4.539 20 0 JJADRN C[C@@H]1CCC[C@H]([N@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033310 1067984948 /nfs/dbraw/zinc/98/49/48/1067984948.db2.gz MEVCQDZGHRXABV-HMFYCAOWSA-N 0 0 455.599 4.931 20 0 JJADRN O=C(c1ccc(Oc2ccc(Br)cc2)c(F)c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001462033847 1067984979 /nfs/dbraw/zinc/98/49/79/1067984979.db2.gz YHYIVIVRHJOOQQ-SWLSCSKDSA-N 0 0 462.237 4.623 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)NCc1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CCC2 ZINC001462037949 1067986208 /nfs/dbraw/zinc/98/62/08/1067986208.db2.gz JYHMNDSVHQVIFC-QHCPKHFHSA-N 0 0 450.579 4.725 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3nccc4c(Br)cccc43)n2)s1 ZINC001462039839 1067986591 /nfs/dbraw/zinc/98/65/91/1067986591.db2.gz RSUWTYACZUAJDR-UHFFFAOYSA-N 0 0 454.353 4.804 20 0 JJADRN CN(Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC001462037935 1067986757 /nfs/dbraw/zinc/98/67/57/1067986757.db2.gz AQULGQVHAVANAV-LJQANCHMSA-N 0 0 454.455 4.705 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001546128990 1067987300 /nfs/dbraw/zinc/98/73/00/1067987300.db2.gz QRKCLVLPPPSDLF-ZEQRLZLVSA-N 0 0 451.611 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3ccc(OC(F)F)cc3F)cccc2C1 ZINC001462039859 1067987409 /nfs/dbraw/zinc/98/74/09/1067987409.db2.gz RTKGCMHYYFYPPA-UHFFFAOYSA-N 0 0 450.457 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)CC(F)(F)F ZINC001462042276 1067987920 /nfs/dbraw/zinc/98/79/20/1067987920.db2.gz CKSWBVSBSDVNGH-OAHLLOKOSA-N 0 0 455.443 4.673 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001462043250 1067988288 /nfs/dbraw/zinc/98/82/88/1067988288.db2.gz HNOQVDBNOOIHOU-IYBDPMFKSA-N 0 0 451.658 4.639 20 0 JJADRN CN1C(=O)C(C)(C)N(C(=O)c2coc(-c3ccc(Br)cc3F)n2)c2ccccc21 ZINC001462048287 1067989911 /nfs/dbraw/zinc/98/99/11/1067989911.db2.gz AQDYQILUZVRWFN-UHFFFAOYSA-N 0 0 458.287 4.645 20 0 JJADRN C[C@@H](c1ccc(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1)C(F)(F)F ZINC001462053258 1067991398 /nfs/dbraw/zinc/99/13/98/1067991398.db2.gz QDUNERKFPRDGBD-HNNXBMFYSA-N 0 0 451.489 4.724 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1Br ZINC001462053970 1067991817 /nfs/dbraw/zinc/99/18/17/1067991817.db2.gz UUQOXJUCHIMSAM-AZFSHXRASA-N 0 0 451.405 4.918 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCO[C@@H](CCc4ccccc4)C3)cs2)cc1 ZINC001462057180 1067992502 /nfs/dbraw/zinc/99/25/02/1067992502.db2.gz DAXFOSMGKMDMRH-DEOSSOPVSA-N 0 0 451.592 4.670 20 0 JJADRN COC(=O)c1oc(CNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1C ZINC001462056704 1067992748 /nfs/dbraw/zinc/99/27/48/1067992748.db2.gz WWLOXXAQPKKMHU-FQEVSTJZSA-N 0 0 458.308 4.574 20 0 JJADRN Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC001462059682 1067993300 /nfs/dbraw/zinc/99/33/00/1067993300.db2.gz MDFJWACQRLGIRH-UHFFFAOYSA-N 0 0 454.502 4.585 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cncc(N(C)C)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462058674 1067993483 /nfs/dbraw/zinc/99/34/83/1067993483.db2.gz GGFSOTVUBWQJJV-RSXGOPAZSA-N 0 0 458.562 4.588 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3(C)C)cc2)C1 ZINC001462064067 1067993984 /nfs/dbraw/zinc/99/39/84/1067993984.db2.gz KSCKVKUVIMTVIE-FDDCHVKYSA-N 0 0 458.599 4.655 20 0 JJADRN CCc1ccccc1Oc1ccc(Cl)cc1CN1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC001462065673 1067994457 /nfs/dbraw/zinc/99/44/57/1067994457.db2.gz PYJGNJZHQQAOEI-UHFFFAOYSA-N 0 0 454.958 4.910 20 0 JJADRN COc1nsc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1Br ZINC001462069640 1067995822 /nfs/dbraw/zinc/99/58/22/1067995822.db2.gz FNIFLISQNNBFJW-UHFFFAOYSA-N 0 0 450.333 4.847 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)cc1 ZINC001462072024 1067996125 /nfs/dbraw/zinc/99/61/25/1067996125.db2.gz OLHBGHKYKLVCKQ-UHFFFAOYSA-N 0 0 457.602 4.702 20 0 JJADRN CCOC(=O)COc1cccc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 ZINC001462069677 1067996277 /nfs/dbraw/zinc/99/62/77/1067996277.db2.gz FYZYWSTYHUMMPO-DHIUTWEWSA-N 0 0 454.567 4.834 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2F)n1 ZINC001462070194 1067996292 /nfs/dbraw/zinc/99/62/92/1067996292.db2.gz ZGOZXIQXSZYQHA-UHFFFAOYSA-N 0 0 456.524 4.554 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)C1 ZINC001462073446 1067996796 /nfs/dbraw/zinc/99/67/96/1067996796.db2.gz SJPOUBDPEWBXNR-NVXWUHKLSA-N 0 0 456.637 4.879 20 0 JJADRN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(C(F)(F)F)nc2Cl)C1)C1CCCC1 ZINC001462081798 1067998233 /nfs/dbraw/zinc/99/82/33/1067998233.db2.gz HADHSZANXBBSIU-AWEZNQCLSA-N 0 0 455.912 4.985 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546129309 1067998890 /nfs/dbraw/zinc/99/88/90/1067998890.db2.gz AVERPRHVCTYAGJ-QGZVFWFLSA-N 0 0 453.052 4.828 20 0 JJADRN Cn1cc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3Cl)cs2)cn1 ZINC001462090958 1068000089 /nfs/dbraw/zinc/00/00/89/1068000089.db2.gz HKBIFGWKBXLZCZ-MRXNPFEDSA-N 0 0 451.777 4.937 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc2c1 ZINC001462091201 1068000210 /nfs/dbraw/zinc/00/02/10/1068000210.db2.gz DEPCMUKJNBTYPY-PLAPYBETSA-N 0 0 454.448 4.802 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@H](OC)C2)CCCC1 ZINC001546129330 1068000320 /nfs/dbraw/zinc/00/03/20/1068000320.db2.gz BJVFNRYVCXBORQ-VQIMIIECSA-N 0 0 464.452 4.878 20 0 JJADRN CN(Cc1c(Cl)n[nH]c1C1CC1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462092103 1068000755 /nfs/dbraw/zinc/00/07/55/1068000755.db2.gz GBDFXTWRIHOOLM-HNNXBMFYSA-N 0 0 454.796 4.893 20 0 JJADRN CN(C)c1ccc([S@@](C)(=O)=NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462093158 1068000802 /nfs/dbraw/zinc/00/08/02/1068000802.db2.gz FKKACQWWBGNUNL-XFSFLGPDSA-N 0 0 457.596 4.618 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)C1 ZINC001462096306 1068001461 /nfs/dbraw/zinc/00/14/61/1068001461.db2.gz KFGUJRRTNSVKBK-RRPNLBNLSA-N 0 0 450.554 4.823 20 0 JJADRN COC(=O)c1ccc(CN(C)Cc2cc(OC)ccc2Br)cc1Br ZINC001462098522 1068001494 /nfs/dbraw/zinc/00/14/94/1068001494.db2.gz NRVXWXFOWGJXLB-UHFFFAOYSA-N 0 0 457.162 4.639 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C(C)=O)C[C@@H]2C)CCCC1 ZINC001546129399 1068002068 /nfs/dbraw/zinc/00/20/68/1068002068.db2.gz FHLVCUIJYZZVMY-INIZCTEOSA-N 0 0 492.437 4.874 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462099599 1068002121 /nfs/dbraw/zinc/00/21/21/1068002121.db2.gz RHVQLBAASZKJQD-FZKQIMNGSA-N 0 0 458.402 4.825 20 0 JJADRN Cc1ccc(C(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)cc1NC(=O)c1ccccc1F ZINC001462101788 1068002499 /nfs/dbraw/zinc/00/24/99/1068002499.db2.gz SAKHVHHRTYXIDX-YTTGMZPUSA-N 0 0 453.539 4.750 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001462102111 1068002787 /nfs/dbraw/zinc/00/27/87/1068002787.db2.gz FCJZIICBLDZYHQ-INIZCTEOSA-N 0 0 456.306 4.825 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001462103910 1068003493 /nfs/dbraw/zinc/00/34/93/1068003493.db2.gz MLHHNJJNBQAFCI-DUXKGJEZSA-N 0 0 455.396 4.706 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)ccc1Br ZINC001462107233 1068004707 /nfs/dbraw/zinc/00/47/07/1068004707.db2.gz WNEKBGAIRMSFCQ-INIZCTEOSA-N 0 0 451.386 4.931 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)N3C[C@H](c4ccc(Br)cc4)C[C@@H]3C)c(C)c12 ZINC001462106852 1068004734 /nfs/dbraw/zinc/00/47/34/1068004734.db2.gz ZCANQHBZFNWZPY-SCLBCKFNSA-N 0 0 455.400 4.603 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001546129523 1068008805 /nfs/dbraw/zinc/00/88/05/1068008805.db2.gz JFVHJNPTAPWDEN-UHFFFAOYSA-N 0 0 499.656 4.894 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(c3cccc(F)c3C)[C@H]3CCO[C@H]3C)C2)c1 ZINC001462121770 1068009540 /nfs/dbraw/zinc/00/95/40/1068009540.db2.gz VULAIVYKWOSRQR-WATLYSKOSA-N 0 0 452.570 4.814 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122868 1068009878 /nfs/dbraw/zinc/00/98/78/1068009878.db2.gz BLSWKWWBKMOTPO-AEFFLSMTSA-N 0 0 458.521 4.716 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)NC(C)(C)c3nc4cc(Cl)ccc4o3)n2)cc1 ZINC001462126869 1068011220 /nfs/dbraw/zinc/01/12/20/1068011220.db2.gz ZCKOYFJLTCOSMJ-UHFFFAOYSA-N 0 0 454.914 4.914 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127684 1068011252 /nfs/dbraw/zinc/01/12/52/1068011252.db2.gz NXNHDCGXLDFVSE-OYHNWAKOSA-N 0 0 450.348 4.901 20 0 JJADRN CCOc1ccc(NCc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)cc1Br ZINC001462129877 1068012130 /nfs/dbraw/zinc/01/21/30/1068012130.db2.gz PFPWOKVEJFVEPI-UHFFFAOYSA-N 0 0 452.349 4.782 20 0 JJADRN CCOc1ccc(N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCOCC3)cc1Br ZINC001462133268 1068012593 /nfs/dbraw/zinc/01/25/93/1068012593.db2.gz XOUGBFDQNUWVRB-MSOLQXFVSA-N 0 0 455.393 4.722 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)Cc2ccccc2OCc2ccccc2)CC1=O ZINC001462133578 1068012901 /nfs/dbraw/zinc/01/29/01/1068012901.db2.gz VNJUDJCTOBQUHN-QHCPKHFHSA-N 0 0 458.558 4.594 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)OCc2cnc(C3CC3)o2)c1 ZINC001462141073 1068013815 /nfs/dbraw/zinc/01/38/15/1068013815.db2.gz MKFMIKUDGNFCCC-UHFFFAOYSA-N 0 0 455.308 4.853 20 0 JJADRN O=C1NCCN(CCCCc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1 ZINC001462143054 1068014226 /nfs/dbraw/zinc/01/42/26/1068014226.db2.gz GLSKGIRGYDZXOZ-IBGZPJMESA-N 0 0 455.318 4.964 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(C3CCCCCC3)cs2)c(OC)c1 ZINC001462146745 1068015303 /nfs/dbraw/zinc/01/53/03/1068015303.db2.gz RNLXQYLFJNXWAV-HXUWFJFHSA-N 0 0 457.596 4.841 20 0 JJADRN COc1cc(-c2ccccc2)ccc1CN1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC001462147072 1068015356 /nfs/dbraw/zinc/01/53/56/1068015356.db2.gz SJCRQWCMIMBMOR-QHCPKHFHSA-N 0 0 451.364 4.798 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462147568 1068015463 /nfs/dbraw/zinc/01/54/63/1068015463.db2.gz PZGGICDJNQVHFY-NWDGAFQWSA-N 0 0 458.531 4.744 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 ZINC001462152703 1068016989 /nfs/dbraw/zinc/01/69/89/1068016989.db2.gz HIEZTVZLYPARNE-UHFFFAOYSA-N 0 0 455.555 4.889 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)cc1)N1CCCC[C@@H]1CN1CCCC1=O ZINC001462154532 1068017760 /nfs/dbraw/zinc/01/77/60/1068017760.db2.gz FFTOYNXDIXCAQR-LJQANCHMSA-N 0 0 457.368 4.859 20 0 JJADRN O=C(NC[C@H](n1cncn1)C(F)(F)F)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001462158297 1068018828 /nfs/dbraw/zinc/01/88/28/1068018828.db2.gz PKCWWAAEFXUCFF-IRXDYDNUSA-N 0 0 459.255 4.625 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCC1 ZINC001546129744 1068019216 /nfs/dbraw/zinc/01/92/16/1068019216.db2.gz QWHIOHCBRMZCSL-UHFFFAOYSA-N 0 0 450.505 4.882 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)c(F)c1 ZINC001462161383 1068019465 /nfs/dbraw/zinc/01/94/65/1068019465.db2.gz LYJIZHWNAWXTSS-UHFFFAOYSA-N 0 0 454.479 4.546 20 0 JJADRN CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)ccc2o1 ZINC001462164537 1068019641 /nfs/dbraw/zinc/01/96/41/1068019641.db2.gz RSILGUOFNSBWBR-UHFFFAOYSA-N 0 0 453.745 4.823 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001462165750 1068020110 /nfs/dbraw/zinc/02/01/10/1068020110.db2.gz CSSOJUIQTSEPAG-PKTZIBPZSA-N 0 0 473.953 4.713 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001462167283 1068020486 /nfs/dbraw/zinc/02/04/86/1068020486.db2.gz UFTPZLKUCIMBEH-OFNKIYASSA-N 0 0 472.948 4.669 20 0 JJADRN Cc1ccc2sc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)nc2c1C ZINC001462171924 1068021532 /nfs/dbraw/zinc/02/15/32/1068021532.db2.gz NDOPRRSMNXETGF-SFHVURJKSA-N 0 0 450.564 4.828 20 0 JJADRN Cc1ccc2sc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1C ZINC001462174221 1068021834 /nfs/dbraw/zinc/02/18/34/1068021834.db2.gz ZWOQVMQENPJOPR-UHFFFAOYSA-N 0 0 457.621 4.659 20 0 JJADRN Cc1cc(Br)cn2c(CN(Cc3cnn(C)c3)Cc3ccc(Cl)cc3)cnc12 ZINC001462173189 1068021998 /nfs/dbraw/zinc/02/19/98/1068021998.db2.gz VQOWMJSBYZCTKO-UHFFFAOYSA-N 0 0 458.791 4.995 20 0 JJADRN O=C(NCC[C@H]1CC=CCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC001462175797 1068022185 /nfs/dbraw/zinc/02/21/85/1068022185.db2.gz MDZCIPXAMKVAKB-SFHVURJKSA-N 0 0 459.011 4.563 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nc(C2CCOCC2)ns1 ZINC001462182077 1068023805 /nfs/dbraw/zinc/02/38/05/1068023805.db2.gz ZMAGWNOCUDMEFP-UHFFFAOYSA-N 0 0 450.973 4.682 20 0 JJADRN COC(=O)c1[nH]c2ccccc2c1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181563 1068023834 /nfs/dbraw/zinc/02/38/34/1068023834.db2.gz AXKLJXOQKUSMLW-LBPRGKRZSA-N 0 0 455.312 4.618 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@@H](C(=O)NC)C2)CCCC1 ZINC001546129929 1068024111 /nfs/dbraw/zinc/02/41/11/1068024111.db2.gz YVFPWBMBPVHGTF-MRXNPFEDSA-N 0 0 492.437 4.780 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1cc(F)c(Br)cc1F ZINC001462185658 1068024620 /nfs/dbraw/zinc/02/46/20/1068024620.db2.gz MOSHPNGCMGGKAD-UHFFFAOYSA-N 0 0 454.296 4.738 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCc1cccc(I)c1 ZINC001462186729 1068024849 /nfs/dbraw/zinc/02/48/49/1068024849.db2.gz BMTWHFANNRDKCV-OAQYLSRUSA-N 0 0 459.327 4.708 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(F)(F)C[C@H]2C)c1 ZINC001462193141 1068026229 /nfs/dbraw/zinc/02/62/29/1068026229.db2.gz FFNFQVKVQRQBSL-OAHLLOKOSA-N 0 0 456.942 4.815 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2COC(C)(C)OC2)CCCC1 ZINC001546129957 1068026308 /nfs/dbraw/zinc/02/63/08/1068026308.db2.gz ZPOWDOMDHFOYSO-UHFFFAOYSA-N 0 0 480.451 4.841 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)/C=C/c1nc3ccccc3s1)CCO2 ZINC001462193583 1068026460 /nfs/dbraw/zinc/02/64/60/1068026460.db2.gz FPBNGBHUQJSJTN-ZHACJKMWSA-N 0 0 451.548 4.760 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)C1(c3ccc(F)cc3F)CCC1)CCO2 ZINC001462194975 1068026613 /nfs/dbraw/zinc/02/66/13/1068026613.db2.gz JMQXABABJYHOCO-UHFFFAOYSA-N 0 0 458.505 4.837 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)Nc1cc(OC)cc(-n2cccn2)c1 ZINC001462194979 1068026643 /nfs/dbraw/zinc/02/66/43/1068026643.db2.gz DYZKOHWUFLUODH-CQSZACIVSA-N 0 0 456.568 4.565 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1F)CCO2 ZINC001462194992 1068026749 /nfs/dbraw/zinc/02/67/49/1068026749.db2.gz JVCRRZFBMNGJGQ-UHFFFAOYSA-N 0 0 454.420 4.908 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N(CCN1CCOCC1)c1ccccc1F ZINC001462201379 1068028377 /nfs/dbraw/zinc/02/83/77/1068028377.db2.gz XSNUAQDGQIJUCC-UHFFFAOYSA-N 0 0 455.357 4.657 20 0 JJADRN O=C(Nc1[nH]nc2cnc(Br)cc21)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001462203685 1068028614 /nfs/dbraw/zinc/02/86/14/1068028614.db2.gz ZWTFAXURIOGXGE-UHFFFAOYSA-N 0 0 455.234 4.580 20 0 JJADRN CCOC(=O)c1csc(NC(=O)/C=C\c2ccccc2OC(F)(F)F)c1C(=O)OCC ZINC001462206175 1068028768 /nfs/dbraw/zinc/02/87/68/1068028768.db2.gz SSDABOJPCAIMMA-KTKRTIGZSA-N 0 0 457.426 4.652 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)OCc2ccc(Br)c(F)c2F)c1 ZINC001462211344 1068029832 /nfs/dbraw/zinc/02/98/32/1068029832.db2.gz UNFXKQRYBLZLTP-UHFFFAOYSA-N 0 0 457.267 4.805 20 0 JJADRN Cc1c(C(=O)OCc2ccc(Br)c(F)c2F)nnn1-c1cccc2ncccc21 ZINC001462210002 1068029918 /nfs/dbraw/zinc/02/99/18/1068029918.db2.gz OKMATTOUBMAECE-UHFFFAOYSA-N 0 0 459.250 4.522 20 0 JJADRN CN(C[C@@H]1CCCN(Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219621 1068031316 /nfs/dbraw/zinc/03/13/16/1068031316.db2.gz LYXUUPMSGWWEGV-INIZCTEOSA-N 0 0 457.423 4.889 20 0 JJADRN COC(=O)c1ccc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1Cl ZINC001462220446 1068031411 /nfs/dbraw/zinc/03/14/11/1068031411.db2.gz LBOLEQSHOITPRY-UHFFFAOYSA-N 0 0 450.988 4.692 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2cccc(I)c2)C1 ZINC001462224426 1068032477 /nfs/dbraw/zinc/03/24/77/1068032477.db2.gz GUHKPMRCMXNULV-APWZRJJASA-N 0 0 456.368 4.514 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)N3CCC[C@]3(C)Cc3ccc(Cl)c(F)c3)c2C)cc1 ZINC001462226277 1068032747 /nfs/dbraw/zinc/03/27/47/1068032747.db2.gz FMXDNYGJZPJFPQ-XMMPIXPASA-N 0 0 456.949 4.673 20 0 JJADRN CNS(=O)(=O)c1cccc2c1CCN(Cc1ccccc1Oc1cc(Cl)ccc1C)C2 ZINC001462227414 1068032988 /nfs/dbraw/zinc/03/29/88/1068032988.db2.gz CWHHPOADIZWGJF-UHFFFAOYSA-N 0 0 456.995 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001462230114 1068033924 /nfs/dbraw/zinc/03/39/24/1068033924.db2.gz RSSPXNZZNXMDSX-XKDCRVNJSA-N 0 0 456.961 4.998 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC001462234540 1068034847 /nfs/dbraw/zinc/03/48/47/1068034847.db2.gz LUCCWMVHFWLZFM-INIZCTEOSA-N 0 0 454.514 4.761 20 0 JJADRN C[C@@H](NC(=O)c1oc2ccccc2c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462237205 1068035327 /nfs/dbraw/zinc/03/53/27/1068035327.db2.gz YGTHUTBMBGJFOG-CYBMUJFWSA-N 0 0 451.361 4.961 20 0 JJADRN Cc1ccc(CN2CCO[C@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241709 1068036440 /nfs/dbraw/zinc/03/64/40/1068036440.db2.gz JCYWUEICMLCBPG-MUUNZHRXSA-N 0 0 458.602 4.524 20 0 JJADRN Cc1ccc(CN2CCO[C@@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241712 1068036500 /nfs/dbraw/zinc/03/65/00/1068036500.db2.gz JCYWUEICMLCBPG-NDEPHWFRSA-N 0 0 458.602 4.524 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244515 1068037119 /nfs/dbraw/zinc/03/71/19/1068037119.db2.gz QZGWQGHWNCHMEP-NDEPHWFRSA-N 0 0 457.618 4.652 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1OC ZINC001462245925 1068037595 /nfs/dbraw/zinc/03/75/95/1068037595.db2.gz OBVSIVQUCMIWJT-KRWDZBQOSA-N 0 0 452.320 4.679 20 0 JJADRN Cn1cc(C(F)F)c(CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n1 ZINC001462250519 1068037873 /nfs/dbraw/zinc/03/78/73/1068037873.db2.gz SQQXPAQUBYBVIK-SFHVURJKSA-N 0 0 450.283 4.557 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@@H]2c3ccccc3CN2C)cc1Br ZINC001462256942 1068039583 /nfs/dbraw/zinc/03/95/83/1068039583.db2.gz RZTLLPLQGJJMFW-GOSISDBHSA-N 0 0 452.190 4.691 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC001462257322 1068039785 /nfs/dbraw/zinc/03/97/85/1068039785.db2.gz GHLLQMUOCWYOGL-LJQANCHMSA-N 0 0 459.409 4.603 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001462261779 1068040797 /nfs/dbraw/zinc/04/07/97/1068040797.db2.gz NRYQJQOKHNCGGS-YHYXMXQVSA-N 0 0 455.679 4.773 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1noc2ccc(F)cc21 ZINC001462269905 1068041630 /nfs/dbraw/zinc/04/16/30/1068041630.db2.gz PELSDFPWONHIJA-FQEVSTJZSA-N 0 0 451.885 4.798 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNc1cccc(C2CC(=O)NC(=O)C2)c1 ZINC001462273295 1068042154 /nfs/dbraw/zinc/04/21/54/1068042154.db2.gz WGZKHTNHZKTGRG-UHFFFAOYSA-N 0 0 450.970 4.956 20 0 JJADRN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001462281543 1068043785 /nfs/dbraw/zinc/04/37/85/1068043785.db2.gz UUARAMFWOQSLHA-SUMWQHHRSA-N 0 0 455.395 4.504 20 0 JJADRN COC(C)(C)CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001462287344 1068044159 /nfs/dbraw/zinc/04/41/59/1068044159.db2.gz DOEJLAQGGZIXLK-UHFFFAOYSA-N 0 0 459.443 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2cc(F)ccc2Br)C(C)(C)CC1 ZINC001462288952 1068044494 /nfs/dbraw/zinc/04/44/94/1068044494.db2.gz CQEXXNNKFPSJLM-UHFFFAOYSA-N 0 0 457.384 4.769 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@H]1CCO[C@H]1C ZINC001462291840 1068045058 /nfs/dbraw/zinc/04/50/58/1068045058.db2.gz ANJCNOQGZJTEAE-DFPDZIMCSA-N 0 0 456.970 4.864 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001462291847 1068045155 /nfs/dbraw/zinc/04/51/55/1068045155.db2.gz GMMYXTAXVKNGQY-HFAKWTLXSA-N 0 0 456.324 4.942 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CCC3(C)C)c2)c1C ZINC001462295611 1068046117 /nfs/dbraw/zinc/04/61/17/1068046117.db2.gz SQRYITDMEKCBEK-UHFFFAOYSA-N 0 0 454.615 4.913 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1 ZINC001462302444 1068047452 /nfs/dbraw/zinc/04/74/52/1068047452.db2.gz WNWAHUIZHGCGLA-UHFFFAOYSA-N 0 0 451.475 4.600 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC001462304690 1068047512 /nfs/dbraw/zinc/04/75/12/1068047512.db2.gz CRJFNZZHAIKJOR-OAHLLOKOSA-N 0 0 450.457 4.929 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)o1 ZINC001462308583 1068047899 /nfs/dbraw/zinc/04/78/99/1068047899.db2.gz KWQSEPRVKWRDDJ-XYELWLDHSA-N 0 0 451.544 4.722 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462313392 1068049343 /nfs/dbraw/zinc/04/93/43/1068049343.db2.gz YMZKLUJRSQLCJP-RBUKOAKNSA-N 0 0 450.579 4.673 20 0 JJADRN COC[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Br)c1 ZINC001462320239 1068050739 /nfs/dbraw/zinc/05/07/39/1068050739.db2.gz CHWILZSDQGLYBE-NRFANRHFSA-N 0 0 453.336 4.819 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](COC)c3cccc(Br)c3)c12 ZINC001462322286 1068051126 /nfs/dbraw/zinc/05/11/26/1068051126.db2.gz JXOREBDCPFWBES-LJQANCHMSA-N 0 0 458.356 4.933 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC[C@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)c2)cs1 ZINC001462330725 1068052710 /nfs/dbraw/zinc/05/27/10/1068052710.db2.gz WHGPOOXYTNUILQ-SFTDATJTSA-N 0 0 457.596 4.645 20 0 JJADRN Cn1c(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccc(Cl)cc21 ZINC001462336021 1068053454 /nfs/dbraw/zinc/05/34/54/1068053454.db2.gz HRSBGMUUTXYPDZ-AZUAARDMSA-N 0 0 458.965 4.859 20 0 JJADRN CC[C@H](NC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC ZINC001462334932 1068053577 /nfs/dbraw/zinc/05/35/77/1068053577.db2.gz QRQPNXLLWMKJFT-ICSRJNTNSA-N 0 0 456.587 4.653 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)ccc1NC(=O)CC(C)C ZINC001462345786 1068055781 /nfs/dbraw/zinc/05/57/81/1068055781.db2.gz UGTSYAAGDPUBRR-IFMALSPDSA-N 0 0 457.615 4.841 20 0 JJADRN CC(=O)N1CCN(c2ccc(NC(=O)CC(Cc3ccccc3)Cc3ccccc3)cc2)CC1 ZINC001462345184 1068055840 /nfs/dbraw/zinc/05/58/40/1068055840.db2.gz FSIJETYKAHOTSB-UHFFFAOYSA-N 0 0 455.602 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)ccc2Cl)C1 ZINC001462345302 1068055926 /nfs/dbraw/zinc/05/59/26/1068055926.db2.gz REEFKDOBENSZDD-GUYCJALGSA-N 0 0 457.796 4.964 20 0 JJADRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccc(Br)cc4c3)cc2)CC1 ZINC001462345745 1068055938 /nfs/dbraw/zinc/05/59/38/1068055938.db2.gz JSSOLTUHDHFZJY-UHFFFAOYSA-N 0 0 452.352 4.523 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001462357600 1068058742 /nfs/dbraw/zinc/05/87/42/1068058742.db2.gz KPRCVGXFRNRQBO-BXKDBHETSA-N 0 0 459.633 4.580 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1nn(-c2ccccc2)cc1Br ZINC001462357318 1068058920 /nfs/dbraw/zinc/05/89/20/1068058920.db2.gz WEUXVKYEAKSGRB-QUCCMNQESA-N 0 0 460.759 4.938 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C4CC4)cc3F)CC2)c1C ZINC001462361096 1068059560 /nfs/dbraw/zinc/05/95/60/1068059560.db2.gz DICRIJUGNYWZIT-UHFFFAOYSA-N 0 0 458.599 4.976 20 0 JJADRN CCSc1ccc(CC(=O)N[C@H](CC(=O)OC)c2cccc(C)c2)c(Br)c1 ZINC001462366484 1068060901 /nfs/dbraw/zinc/06/09/01/1068060901.db2.gz PRLDCYDODZNYCD-LJQANCHMSA-N 0 0 450.398 4.833 20 0 JJADRN COCCC1(NC(=O)c2sc(C3CCCC3)nc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462369267 1068061808 /nfs/dbraw/zinc/06/18/08/1068061808.db2.gz CXUODVSXZKVKIQ-UHFFFAOYSA-N 0 0 451.633 4.645 20 0 JJADRN COC(=O)C[C@H]1CN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c2ccccc21 ZINC001462373210 1068062097 /nfs/dbraw/zinc/06/20/97/1068062097.db2.gz WERYNNKFBFMMIN-SFHVURJKSA-N 0 0 451.954 4.687 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC001462372068 1068062128 /nfs/dbraw/zinc/06/21/28/1068062128.db2.gz UJNNFKUTMMJUCV-DNQXCXABSA-N 0 0 454.636 4.638 20 0 JJADRN CCc1cc(C)c(OC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)c(C)c1 ZINC001462376513 1068062956 /nfs/dbraw/zinc/06/29/56/1068062956.db2.gz HMUFLSJZGAASLD-KKSFZXQISA-N 0 0 459.608 4.951 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001546131187 1068063002 /nfs/dbraw/zinc/06/30/02/1068063002.db2.gz RNMNXORBFFXSCL-UHFFFAOYSA-N 0 0 490.446 4.812 20 0 JJADRN COc1ccc([C@H]2COCCN2C(=O)CCCSc2ccc(Br)cc2)cc1 ZINC001462389322 1068064420 /nfs/dbraw/zinc/06/44/20/1068064420.db2.gz MYKFWBFRKTZEHK-HXUWFJFHSA-N 0 0 450.398 4.930 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001546131265 1068064615 /nfs/dbraw/zinc/06/46/15/1068064615.db2.gz VEJKDVPLMGZJSK-UHFFFAOYSA-N 0 0 480.838 4.643 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 ZINC001546131323 1068066092 /nfs/dbraw/zinc/06/60/92/1068066092.db2.gz WVEAUYIAHARPRR-UHFFFAOYSA-N 0 0 474.447 4.640 20 0 JJADRN COc1ccc(C2CCN(Cc3cc(Br)cc(Br)c3N)CC2)nc1 ZINC001462401336 1068066574 /nfs/dbraw/zinc/06/65/74/1068066574.db2.gz JOPIUNXAXWGNLZ-UHFFFAOYSA-N 0 0 455.194 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)CCCNC(=O)c2ccsc2)C1(C)C ZINC001462413881 1068069257 /nfs/dbraw/zinc/06/92/57/1068069257.db2.gz YDBMSRINZKQTAL-HXUWFJFHSA-N 0 0 457.596 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1cc(Br)ccc1C(C)(C)C ZINC001462412003 1068069443 /nfs/dbraw/zinc/06/94/43/1068069443.db2.gz RECBIBOOOMDHSJ-OAHLLOKOSA-N 0 0 455.393 4.711 20 0 JJADRN CCc1ccc(-c2nc(C(=O)Nc3cc(Br)cc4c3NC(=O)CO4)cs2)cc1 ZINC001462419033 1068070273 /nfs/dbraw/zinc/07/02/73/1068070273.db2.gz UPGAJYUTIAZQHL-UHFFFAOYSA-N 0 0 458.337 4.718 20 0 JJADRN COc1cc(C2(C(=O)Nc3cc(Br)cc4c3NC(=O)CO4)CCCC2)ccc1C ZINC001462419300 1068070290 /nfs/dbraw/zinc/07/02/90/1068070290.db2.gz VWDKOFNRAFHVCF-UHFFFAOYSA-N 0 0 459.340 4.548 20 0 JJADRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001546131497 1068070306 /nfs/dbraw/zinc/07/03/06/1068070306.db2.gz BZNCGZRWPJLWQH-LADGPHEKSA-N 0 0 454.636 4.563 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001462417554 1068070387 /nfs/dbraw/zinc/07/03/87/1068070387.db2.gz CISOEOSDUIVZQQ-DNVCBOLYSA-N 0 0 461.375 4.891 20 0 JJADRN O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)C1(c2cccc(F)c2)CCCCC1 ZINC001462423187 1068071501 /nfs/dbraw/zinc/07/15/01/1068071501.db2.gz GALAXJFGWSOVKV-HXUWFJFHSA-N 0 0 459.359 4.860 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@@H]2CCCOC2)c1 ZINC001462422096 1068071537 /nfs/dbraw/zinc/07/15/37/1068071537.db2.gz DKOVGQYFAPNPIJ-QPPBQGQZSA-N 0 0 458.624 4.617 20 0 JJADRN O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(CCC(F)(F)F)cc1 ZINC001462424293 1068071915 /nfs/dbraw/zinc/07/19/15/1068071915.db2.gz IKGFXBISSZCYOY-QGZVFWFLSA-N 0 0 455.274 4.627 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001462423445 1068071950 /nfs/dbraw/zinc/07/19/50/1068071950.db2.gz AEDWOCVCPOYKAV-DYESRHJHSA-N 0 0 452.448 4.906 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)[C@H]1CCCOC1 ZINC001462426098 1068072231 /nfs/dbraw/zinc/07/22/31/1068072231.db2.gz ODNGDXJXIOFCHF-JXFKEZNVSA-N 0 0 454.368 4.994 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001462427791 1068072640 /nfs/dbraw/zinc/07/26/40/1068072640.db2.gz UKDJDFNHDMWNPU-DBXWQHBBSA-N 0 0 452.599 4.819 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001462427852 1068072667 /nfs/dbraw/zinc/07/26/67/1068072667.db2.gz RMXGSJNSCKUISM-QRWLVFNGSA-N 0 0 459.384 4.718 20 0 JJADRN O=C(c1cc(Br)cc(Br)c1)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001462439815 1068074699 /nfs/dbraw/zinc/07/46/99/1068074699.db2.gz MAXXDLNDEKRAKT-KRWDZBQOSA-N 0 0 450.174 4.836 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001462446157 1068076207 /nfs/dbraw/zinc/07/62/07/1068076207.db2.gz YJIDHECPQIIROP-KRWDZBQOSA-N 0 0 457.861 4.868 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001462449042 1068076821 /nfs/dbraw/zinc/07/68/21/1068076821.db2.gz AFNOBEXTHJZVGU-IBGZPJMESA-N 0 0 451.958 4.706 20 0 JJADRN CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1=O ZINC001546131691 1068076920 /nfs/dbraw/zinc/07/69/20/1068076920.db2.gz IYRYMAKSQAHQOW-MSOLQXFVSA-N 0 0 454.592 4.990 20 0 JJADRN Cn1nc2c(c1C(=O)Nc1ccccc1Oc1cccc(I)c1)CCC2 ZINC001462450443 1068077276 /nfs/dbraw/zinc/07/72/76/1068077276.db2.gz OVEJUODAWFHPHS-UHFFFAOYSA-N 0 0 459.287 4.558 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001462453553 1068077753 /nfs/dbraw/zinc/07/77/53/1068077753.db2.gz VZNBFZYIRRNVJX-UHFFFAOYSA-N 0 0 452.776 4.959 20 0 JJADRN Cc1cc(Br)cc(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1OC(F)F ZINC001462456456 1068078936 /nfs/dbraw/zinc/07/89/36/1068078936.db2.gz XWPKKRCZYMBWNA-HUUCEWRRSA-N 0 0 467.326 4.796 20 0 JJADRN CS(=O)(=O)c1ccc([C@H]2CN(CC(c3ccc(F)cc3)c3ccc(F)cc3)CCO2)cc1 ZINC001462457165 1068078711 /nfs/dbraw/zinc/07/87/11/1068078711.db2.gz DRYKFWKNQAWTKF-RUZDIDTESA-N 0 0 457.542 4.574 20 0 JJADRN Fc1c(Cl)ccc(Br)c1CN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001462459971 1068078727 /nfs/dbraw/zinc/07/87/27/1068078727.db2.gz QGDKDGIOCCNTRB-UHFFFAOYSA-N 0 0 452.677 4.978 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCc2sccc2Br)cc1)OCC(F)(F)F ZINC001462466272 1068080613 /nfs/dbraw/zinc/08/06/13/1068080613.db2.gz JKLGAXZRGKCIAO-UHFFFAOYSA-N 0 0 451.264 4.594 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc(OCc4ccccc4)cs3)C2)nc1C ZINC001462469078 1068080877 /nfs/dbraw/zinc/08/08/77/1068080877.db2.gz XRWLZHXMRJVCKN-QGZVFWFLSA-N 0 0 456.589 4.898 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3csc(-c4ccc(CC)cc4)n3)C2)nc1C ZINC001462470456 1068080960 /nfs/dbraw/zinc/08/09/60/1068080960.db2.gz ZHLPCQZRUNCSBV-KRWDZBQOSA-N 0 0 455.605 4.944 20 0 JJADRN O=C(NCCc1sccc1Br)C1CCN(c2nc3ccccc3s2)CC1 ZINC001462473928 1068081523 /nfs/dbraw/zinc/08/15/23/1068081523.db2.gz VWYMTKPHPZMALR-UHFFFAOYSA-N 0 0 450.427 4.696 20 0 JJADRN CCOC(=O)[C@@]1(NCc2cc(Br)sc2Br)CCc2ccccc21 ZINC001462486239 1068083531 /nfs/dbraw/zinc/08/35/31/1068083531.db2.gz QAMFLUJGBVHVNB-QGZVFWFLSA-N 0 0 459.203 4.768 20 0 JJADRN COc1ccc(CC(=O)Oc2cc(C(C)(C)C)ccc2I)cc1OC ZINC001462488857 1068083848 /nfs/dbraw/zinc/08/38/48/1068083848.db2.gz CSDGKUFUUUHPCF-UHFFFAOYSA-N 0 0 454.304 4.754 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)ccc1Cl ZINC001462490146 1068083880 /nfs/dbraw/zinc/08/38/80/1068083880.db2.gz XHEZWHKMCPNMPZ-HNNXBMFYSA-N 0 0 456.391 4.925 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(Nc3cc(C(C)(C)C)cc4cccnc43)CC2)cc1 ZINC001462496262 1068085192 /nfs/dbraw/zinc/08/51/92/1068085192.db2.gz PSGUBOICBIHHDH-UHFFFAOYSA-N 0 0 453.608 4.806 20 0 JJADRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001462495702 1068085254 /nfs/dbraw/zinc/08/52/54/1068085254.db2.gz MRICZWQETCFFIC-NQIIRXRSSA-N 0 0 454.286 4.794 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(C)c1Br ZINC001462495522 1068085340 /nfs/dbraw/zinc/08/53/40/1068085340.db2.gz MKTAJNWWXYOIHN-KRWDZBQOSA-N 0 0 453.421 4.823 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CCc1cc(Cl)ccc1Br ZINC001462499582 1068086330 /nfs/dbraw/zinc/08/63/30/1068086330.db2.gz FQIDRZXCCNVPCZ-INIZCTEOSA-N 0 0 459.812 4.941 20 0 JJADRN O=C(NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)c1cncc(-n2ccnn2)c1 ZINC001462505081 1068087127 /nfs/dbraw/zinc/08/71/27/1068087127.db2.gz UTVLJWRIHJYQGS-UHFFFAOYSA-N 0 0 458.280 4.831 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3c(C)onc3-c3ccc(F)cc3)CC2)n1 ZINC001462506111 1068087259 /nfs/dbraw/zinc/08/72/59/1068087259.db2.gz PSICRTIUAOHQMT-UHFFFAOYSA-N 0 0 457.527 4.517 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cnc(CC(C)C)s2)cc1 ZINC001462503400 1068087327 /nfs/dbraw/zinc/08/73/27/1068087327.db2.gz XADQAGINGVYDTR-LJQANCHMSA-N 0 0 459.612 4.784 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3coc(-c4ccccc4Cl)n3)CC2)n1 ZINC001462507824 1068087567 /nfs/dbraw/zinc/08/75/67/1068087567.db2.gz XDEVGKVNUIMCPU-UHFFFAOYSA-N 0 0 459.955 4.723 20 0 JJADRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC001546132158 1068088456 /nfs/dbraw/zinc/08/84/56/1068088456.db2.gz XYHMBIMIVVXBNP-IBGZPJMESA-N 0 0 459.587 4.559 20 0 JJADRN Cc1c(C(=O)NCc2ccc3ccc(Br)cc3c2)nnn1-c1ccc(F)c(F)c1 ZINC001462511583 1068088620 /nfs/dbraw/zinc/08/86/20/1068088620.db2.gz QYYPTSAAGKNPCO-UHFFFAOYSA-N 0 0 457.278 4.700 20 0 JJADRN COc1ccc(COCC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)cn1 ZINC001462512416 1068088696 /nfs/dbraw/zinc/08/86/96/1068088696.db2.gz JETJLYRLBVYQNS-UHFFFAOYSA-N 0 0 456.539 4.919 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC001462514099 1068088928 /nfs/dbraw/zinc/08/89/28/1068088928.db2.gz DIUUIXHEIAYHFK-JOCHJYFZSA-N 0 0 453.583 4.822 20 0 JJADRN O=C(NC1CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1)OCc1ccccc1 ZINC001462513351 1068089011 /nfs/dbraw/zinc/08/90/11/1068089011.db2.gz GVLUSVOOMRUFNQ-UHFFFAOYSA-N 0 0 458.484 4.782 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)Cn1cc(Br)cn1 ZINC001462517259 1068089664 /nfs/dbraw/zinc/08/96/64/1068089664.db2.gz KHGFCKZFSSPXFC-UHFFFAOYSA-N 0 0 452.711 4.889 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462519210 1068089898 /nfs/dbraw/zinc/08/98/98/1068089898.db2.gz XSGHTZAEAQWCDU-GOSISDBHSA-N 0 0 455.603 4.716 20 0 JJADRN CN(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)C(=O)CCS(C)(=O)=O ZINC001462524417 1068091395 /nfs/dbraw/zinc/09/13/95/1068091395.db2.gz BWJOGHQMFYADGC-UHFFFAOYSA-N 0 0 450.771 4.832 20 0 JJADRN CC(=O)c1c(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1C ZINC001462525867 1068091922 /nfs/dbraw/zinc/09/19/22/1068091922.db2.gz ACSMWIKOSJFNIC-UHFFFAOYSA-N 0 0 457.559 4.880 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)c1cn2c(n1)COCC2 ZINC001462527719 1068091974 /nfs/dbraw/zinc/09/19/74/1068091974.db2.gz FWCACEJAYUCGBH-UHFFFAOYSA-N 0 0 450.297 4.924 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)N[C@@H]1CCc2cc(Br)ccc21 ZINC001462526143 1068092053 /nfs/dbraw/zinc/09/20/53/1068092053.db2.gz MKGASLGNAPYXMM-HXUWFJFHSA-N 0 0 450.421 4.745 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001462528416 1068092211 /nfs/dbraw/zinc/09/22/11/1068092211.db2.gz IKWNYODEQYFFLL-QHCPKHFHSA-N 0 0 452.551 4.560 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001462533764 1068092992 /nfs/dbraw/zinc/09/29/92/1068092992.db2.gz VCFCTLSEWQSRPR-FQEVSTJZSA-N 0 0 451.386 4.518 20 0 JJADRN CCc1noc(COCC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)n1 ZINC001462533397 1068093234 /nfs/dbraw/zinc/09/32/34/1068093234.db2.gz PPNBGGQZOPOPBW-UHFFFAOYSA-N 0 0 451.857 4.531 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001546132302 1068093775 /nfs/dbraw/zinc/09/37/75/1068093775.db2.gz DCFKBOKRIZMPMV-UHFFFAOYSA-N 0 0 469.939 4.684 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001462540557 1068094743 /nfs/dbraw/zinc/09/47/43/1068094743.db2.gz VCYDMKIMRHHZBD-UHFFFAOYSA-N 0 0 458.205 4.664 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C1c2ccccc2Oc2ccccc21 ZINC001462546361 1068095405 /nfs/dbraw/zinc/09/54/05/1068095405.db2.gz UWKXBLJIPMECNX-UHFFFAOYSA-N 0 0 450.457 4.840 20 0 JJADRN COC(=O)c1c(CNCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)snc1OC ZINC001462544544 1068095478 /nfs/dbraw/zinc/09/54/78/1068095478.db2.gz DUXOCTJUBLQLIF-UHFFFAOYSA-N 0 0 454.882 4.952 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)sc2c1 ZINC001462545075 1068095640 /nfs/dbraw/zinc/09/56/40/1068095640.db2.gz PBMNGGLPONUCJB-UHFFFAOYSA-N 0 0 453.499 4.569 20 0 JJADRN O=C(NCc1cc2cc(Br)ccc2o1)c1cccc(I)c1 ZINC001462549316 1068096202 /nfs/dbraw/zinc/09/62/02/1068096202.db2.gz XVJCZUCWWZZGKU-UHFFFAOYSA-N 0 0 456.077 4.730 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](COC)O[C@@H](C)C2)CCCC1 ZINC001546132393 1068097034 /nfs/dbraw/zinc/09/70/34/1068097034.db2.gz HGSFGFRNNFAHAW-PKOBYXMFSA-N 0 0 463.022 4.818 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNCc1cc(Br)c(Cl)s1 ZINC001462553760 1068097755 /nfs/dbraw/zinc/09/77/55/1068097755.db2.gz GIAVULDRXMCLAD-UHFFFAOYSA-N 0 0 452.599 4.963 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3nocc3C3CC3)c(Br)c2C1 ZINC001462558901 1068098190 /nfs/dbraw/zinc/09/81/90/1068098190.db2.gz ZFNJBNIBOPACRX-UHFFFAOYSA-N 0 0 454.346 4.879 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001546132492 1068099372 /nfs/dbraw/zinc/09/93/72/1068099372.db2.gz KOVNMDUJYIVMJY-KBXCAEBGSA-N 0 0 451.384 4.898 20 0 JJADRN COc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c2nccc(OC)c2c1 ZINC001462567611 1068099840 /nfs/dbraw/zinc/09/98/40/1068099840.db2.gz XLJQTXHTZVUDTG-UHFFFAOYSA-N 0 0 459.424 4.650 20 0 JJADRN COc1cc(NC(=O)c2ccc(OC(F)F)c(Br)c2)c2nccc(OC)c2c1 ZINC001462568522 1068099890 /nfs/dbraw/zinc/09/98/90/1068099890.db2.gz IJPYXMSBTOWPNT-UHFFFAOYSA-N 0 0 453.239 4.868 20 0 JJADRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001462570484 1068100606 /nfs/dbraw/zinc/10/06/06/1068100606.db2.gz LMIHDCWJXUZGKV-OFNKIYASSA-N 0 0 454.998 4.752 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)CC2 ZINC001462573140 1068100892 /nfs/dbraw/zinc/10/08/92/1068100892.db2.gz UVQOAHQRZGXYLJ-CYBMUJFWSA-N 0 0 452.429 4.574 20 0 JJADRN Cc1c(NCc2cnnn2-c2ccccc2)cc(I)cc1C(F)(F)F ZINC001462572331 1068101127 /nfs/dbraw/zinc/10/11/27/1068101127.db2.gz FMCBMXISTAHQMA-UHFFFAOYSA-N 0 0 458.225 4.811 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001546132562 1068101931 /nfs/dbraw/zinc/10/19/31/1068101931.db2.gz NCQNENRLOXHJPN-QGZVFWFLSA-N 0 0 475.037 4.925 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001546132615 1068103902 /nfs/dbraw/zinc/10/39/02/1068103902.db2.gz OEUDKWJARUIKNW-GOSISDBHSA-N 0 0 451.384 4.898 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](COCCOC)C2)CC1 ZINC001546132590 1068103942 /nfs/dbraw/zinc/10/39/42/1068103942.db2.gz NUIUXYNAFDEUPS-MRXNPFEDSA-N 0 0 481.410 4.526 20 0 JJADRN CN(C(=O)C1CCN(CC(F)F)CC1)[C@H](c1ccccc1)c1ccccc1Br ZINC001462587393 1068105111 /nfs/dbraw/zinc/10/51/11/1068105111.db2.gz LFZYINVOELMEOI-OAQYLSRUSA-N 0 0 451.355 4.974 20 0 JJADRN CN(C(=O)c1cc(Cn2cccn2)on1)[C@H](c1ccccc1)c1ccccc1Br ZINC001462590986 1068106547 /nfs/dbraw/zinc/10/65/47/1068106547.db2.gz VUCOLAAWBLMMLE-OAQYLSRUSA-N 0 0 451.324 4.544 20 0 JJADRN Cn1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592315 1068107153 /nfs/dbraw/zinc/10/71/53/1068107153.db2.gz OGFHDJGTGPPRKJ-MSOLQXFVSA-N 0 0 456.484 4.504 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1sc2ccc(F)cc2c1C ZINC001462595821 1068108210 /nfs/dbraw/zinc/10/82/10/1068108210.db2.gz KJHGZWNBOWOOTE-MRXNPFEDSA-N 0 0 455.429 4.762 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CCC1 ZINC001546132697 1068108770 /nfs/dbraw/zinc/10/87/70/1068108770.db2.gz QMHJTUXDWWSZOJ-OAQYLSRUSA-N 0 0 483.657 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601190 1068109426 /nfs/dbraw/zinc/10/94/26/1068109426.db2.gz AWFIRDGCTZQDON-QHCPKHFHSA-N 0 0 454.970 4.890 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CC[C@H](Oc4ccc(F)cc4)C3)cc2)c(C)c1Br ZINC001462600591 1068109465 /nfs/dbraw/zinc/10/94/65/1068109465.db2.gz ZXFVJSRVNDCDJA-FQEVSTJZSA-N 0 0 458.331 4.684 20 0 JJADRN Clc1ccc(I)c(CN2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC001462602671 1068110196 /nfs/dbraw/zinc/11/01/96/1068110196.db2.gz GNMMCVWRUSDMID-UHFFFAOYSA-N 0 0 451.695 4.594 20 0 JJADRN CCOCOc1ccc(CN[C@@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)cc1 ZINC001462605479 1068110220 /nfs/dbraw/zinc/11/02/20/1068110220.db2.gz RUCDIDVRZRNCOU-LJQANCHMSA-N 0 0 456.764 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1nc(Cl)cs1)Cc1ccccc1O2 ZINC001462608400 1068111441 /nfs/dbraw/zinc/11/14/41/1068111441.db2.gz DTYQXKYDGXCPLK-UHFFFAOYSA-N 0 0 450.004 4.961 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC(Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001462612335 1068112166 /nfs/dbraw/zinc/11/21/66/1068112166.db2.gz MZSWVARRAVLELA-UHFFFAOYSA-N 0 0 457.537 4.785 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC001462617274 1068112878 /nfs/dbraw/zinc/11/28/78/1068112878.db2.gz DJWIVENEMPVYEO-BEFAXECRSA-N 0 0 450.398 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CCC[C@H]12 ZINC001462621663 1068114242 /nfs/dbraw/zinc/11/42/42/1068114242.db2.gz CACRQUHPGPWVDD-YADARESESA-N 0 0 455.580 4.662 20 0 JJADRN Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)nc(-c2ccc(Cl)cc2)n1 ZINC001462622033 1068115029 /nfs/dbraw/zinc/11/50/29/1068115029.db2.gz CYNANYBHEYRLKD-YADARESESA-N 0 0 456.974 4.767 20 0 JJADRN C[C@@]1([NH2+]Cc2ncc(Br)cc2[O-])CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462624061 1068115651 /nfs/dbraw/zinc/11/56/51/1068115651.db2.gz NWGILTIJTLCNSW-XUZZJYLKSA-N 0 0 452.396 4.698 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)N[C@H]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001462625637 1068115744 /nfs/dbraw/zinc/11/57/44/1068115744.db2.gz DUHAIXVIGALKKN-GMAHTHKFSA-N 0 0 456.627 4.876 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccc(F)c(C)c1 ZINC001462626433 1068116268 /nfs/dbraw/zinc/11/62/68/1068116268.db2.gz LGSIMAWDAGSLQJ-UHFFFAOYSA-N 0 0 452.551 4.548 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462627497 1068116974 /nfs/dbraw/zinc/11/69/74/1068116974.db2.gz GZYINQGUTWXIAD-LBPRGKRZSA-N 0 0 458.814 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC001462630529 1068117453 /nfs/dbraw/zinc/11/74/53/1068117453.db2.gz ZPALJOIKJLNPOA-GOSISDBHSA-N 0 0 450.963 4.758 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001462636371 1068120242 /nfs/dbraw/zinc/12/02/42/1068120242.db2.gz YZQBRADGLVJMQC-CRAIPNDOSA-N 0 0 453.421 4.782 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001462643607 1068122489 /nfs/dbraw/zinc/12/24/89/1068122489.db2.gz SCYMJKDCKGEFFQ-AWEZNQCLSA-N 0 0 457.246 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2csc(-c3ccccc3)n2)(C(F)(F)F)CC1 ZINC001462646603 1068122987 /nfs/dbraw/zinc/12/29/87/1068122987.db2.gz RKHZFVUZKZWGPS-UHFFFAOYSA-N 0 0 455.502 4.872 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CCO[C@H]3C)CC2=O)cc1 ZINC001462651651 1068124529 /nfs/dbraw/zinc/12/45/29/1068124529.db2.gz RQEPKTCGRKMZTO-BSRJHKFKSA-N 0 0 456.970 4.611 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462653137 1068125335 /nfs/dbraw/zinc/12/53/35/1068125335.db2.gz GOTDPMHOCUQZOR-VXKWHMMOSA-N 0 0 451.485 4.693 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666017 1068127149 /nfs/dbraw/zinc/12/71/49/1068127149.db2.gz ZRXMVVNBMHTDNH-XJKSGUPXSA-N 0 0 452.502 4.729 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001462678477 1068129245 /nfs/dbraw/zinc/12/92/45/1068129245.db2.gz XZMOSNOBIUQBQG-OXQOHEQNSA-N 0 0 454.876 4.593 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cc(Cl)cc(Cl)c1F ZINC001462681835 1068130556 /nfs/dbraw/zinc/13/05/56/1068130556.db2.gz WBYHBPWELXAUES-LBPRGKRZSA-N 0 0 459.370 4.844 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1ccc(C(=O)N(C)C)nc1 ZINC001462685046 1068131311 /nfs/dbraw/zinc/13/13/11/1068131311.db2.gz WALGAYQJCHOWBB-UHFFFAOYSA-N 0 0 459.369 4.539 20 0 JJADRN CN(C)c1nc(CNc2nc3ccccc3n2C)c(Cl)n1-c1ccc(Br)cc1 ZINC001462690423 1068132143 /nfs/dbraw/zinc/13/21/43/1068132143.db2.gz OZNQMNWQBKDFSB-UHFFFAOYSA-N 0 0 459.779 4.853 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC001462690977 1068132752 /nfs/dbraw/zinc/13/27/52/1068132752.db2.gz AHSWNCPDVFLHMR-UHFFFAOYSA-N 0 0 451.588 4.602 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001462691375 1068132881 /nfs/dbraw/zinc/13/28/81/1068132881.db2.gz QJQYPRJUJNQJFK-IINYFYTJSA-N 0 0 457.235 4.722 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC001462692471 1068133377 /nfs/dbraw/zinc/13/33/77/1068133377.db2.gz ALGAIFMEHPZBIM-JTQLQIEISA-N 0 0 451.155 4.531 20 0 JJADRN Cc1cc(Br)ccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001462692342 1068133464 /nfs/dbraw/zinc/13/34/64/1068133464.db2.gz CPOCFKWEQFDIPW-UHFFFAOYSA-N 0 0 451.411 4.936 20 0 JJADRN CC(C)(CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1)CS(C)(=O)=O ZINC001462698089 1068135126 /nfs/dbraw/zinc/13/51/26/1068135126.db2.gz MVAUUBYARRSSFK-VKAVYKQESA-N 0 0 452.576 4.505 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001462699742 1068135136 /nfs/dbraw/zinc/13/51/36/1068135136.db2.gz STUAZPKDDFERFP-OALUTQOASA-N 0 0 451.405 4.594 20 0 JJADRN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001462700972 1068135775 /nfs/dbraw/zinc/13/57/75/1068135775.db2.gz OQZZBBZSFNLFDE-UHFFFAOYSA-N 0 0 456.377 4.904 20 0 JJADRN O=S(=O)(NCCc1cccc(Cl)c1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462701127 1068135825 /nfs/dbraw/zinc/13/58/25/1068135825.db2.gz LAGKUZROINXAJL-UHFFFAOYSA-N 0 0 457.802 4.747 20 0 JJADRN O=S(=O)(NCCc1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1Br ZINC001462703034 1068136510 /nfs/dbraw/zinc/13/65/10/1068136510.db2.gz VNWCOEHJRZDPAW-UHFFFAOYSA-N 0 0 458.683 4.522 20 0 JJADRN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC001462707682 1068138196 /nfs/dbraw/zinc/13/81/96/1068138196.db2.gz PMEICHKJYJOTRZ-UHFFFAOYSA-N 0 0 455.910 4.837 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2c(cccc2Br)[nH]1 ZINC001462711121 1068139005 /nfs/dbraw/zinc/13/90/05/1068139005.db2.gz PMPQMRQKAHFCSS-KRWDZBQOSA-N 0 0 459.344 4.605 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001462712375 1068139347 /nfs/dbraw/zinc/13/93/47/1068139347.db2.gz HXQXBHATBVOMDB-IRXDYDNUSA-N 0 0 452.339 4.939 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC001462713702 1068140087 /nfs/dbraw/zinc/14/00/87/1068140087.db2.gz LZCPGFYPSUVMKA-XMMPIXPASA-N 0 0 459.498 4.813 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)cc1Br ZINC001462715161 1068140119 /nfs/dbraw/zinc/14/01/19/1068140119.db2.gz JQOMNLNHIOWJNR-UHFFFAOYSA-N 0 0 453.185 4.676 20 0 JJADRN O=C(NCCc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC001462715367 1068140608 /nfs/dbraw/zinc/14/06/08/1068140608.db2.gz LUVREJGZRNKDQC-ZHZULCJRSA-N 0 0 454.317 4.597 20 0 JJADRN CCOc1ccc(CCNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1OCC ZINC001462716941 1068140613 /nfs/dbraw/zinc/14/06/13/1068140613.db2.gz CEOWILUGNGQLLR-UHFFFAOYSA-N 0 0 451.894 4.677 20 0 JJADRN COc1cc(S(=O)(=O)N[C@@H](C)c2cccc3ccccc32)c(OC)cc1Br ZINC001462721936 1068142412 /nfs/dbraw/zinc/14/24/12/1068142412.db2.gz VQZPSYZKNLOYEK-ZDUSSCGKSA-N 0 0 450.354 4.659 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c(Cl)cc1NC(C)=O ZINC001462722233 1068142432 /nfs/dbraw/zinc/14/24/32/1068142432.db2.gz MBRGIQONINSSIG-QFIPXVFZSA-N 0 0 452.894 4.844 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)c(Cl)cc1NC(C)=O ZINC001462722231 1068142436 /nfs/dbraw/zinc/14/24/36/1068142436.db2.gz MBRGIQONINSSIG-JOCHJYFZSA-N 0 0 452.894 4.844 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001462724196 1068143414 /nfs/dbraw/zinc/14/34/14/1068143414.db2.gz PMQWLLYYFOUKLQ-IAGOWNOFSA-N 0 0 480.447 4.672 20 0 JJADRN O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)Oc1ccc2oc3c(c2c1)CCCC3 ZINC001462724437 1068143453 /nfs/dbraw/zinc/14/34/53/1068143453.db2.gz HDEOUIACIKUQFY-LJAQVGFWSA-N 0 0 459.467 4.982 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001462725170 1068143872 /nfs/dbraw/zinc/14/38/72/1068143872.db2.gz XSAFJWMXJLMWRL-SKWUIDRYSA-N 0 0 456.505 4.698 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001462726122 1068143959 /nfs/dbraw/zinc/14/39/59/1068143959.db2.gz UNJPDHVOBLMYPA-WMZHIEFXSA-N 0 0 452.526 4.524 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)Oc1ccc2c(c1)oc(=O)cc2C(C)C ZINC001462725507 1068143972 /nfs/dbraw/zinc/14/39/72/1068143972.db2.gz UMIFGHPAZQVVEP-UHFFFAOYSA-N 0 0 455.301 4.894 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl)N1Cc2ccccc2C1=O ZINC001462725561 1068144060 /nfs/dbraw/zinc/14/40/60/1068144060.db2.gz YESBUNSGNLPGHX-NRFANRHFSA-N 0 0 455.986 4.735 20 0 JJADRN O=Cc1cc(Br)ccc1OS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001462728252 1068145297 /nfs/dbraw/zinc/14/52/97/1068145297.db2.gz CWDAFZSSKDLSJG-UHFFFAOYSA-N 0 0 451.260 4.622 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCc2nccc3c2CCCC3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462729684 1068145972 /nfs/dbraw/zinc/14/59/72/1068145972.db2.gz FZXVEWHCSBRGTB-LJQANCHMSA-N 0 0 458.990 4.590 20 0 JJADRN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(Br)sc1Cl ZINC001462729617 1068146548 /nfs/dbraw/zinc/14/65/48/1068146548.db2.gz KLWAQPPLFXPULU-UHFFFAOYSA-N 0 0 459.612 4.747 20 0 JJADRN O=S(=O)(N[C@H]1CCSc2ccccc21)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001462732629 1068147073 /nfs/dbraw/zinc/14/70/73/1068147073.db2.gz NMFIYJLXKWDPGZ-AEFFLSMTSA-N 0 0 454.013 4.803 20 0 JJADRN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC001462734962 1068148346 /nfs/dbraw/zinc/14/83/46/1068148346.db2.gz VRMCIAJMXLOBJW-AWEZNQCLSA-N 0 0 458.919 4.671 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001546133951 1068149559 /nfs/dbraw/zinc/14/95/59/1068149559.db2.gz GKUQANGCLSCKMH-SFHVURJKSA-N 0 0 493.446 4.537 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccnc1 ZINC001462740571 1068150663 /nfs/dbraw/zinc/15/06/63/1068150663.db2.gz KGPMLOJLJCPEFQ-ZDUSSCGKSA-N 0 0 451.317 4.815 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c2cccc(F)c2)cc1 ZINC001462742544 1068151220 /nfs/dbraw/zinc/15/12/20/1068151220.db2.gz HSSMYUGXIQTIAV-QHCPKHFHSA-N 0 0 459.514 4.690 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546133990 1068151326 /nfs/dbraw/zinc/15/13/26/1068151326.db2.gz HUIHMHRUQORIMJ-LJQANCHMSA-N 0 0 455.603 4.590 20 0 JJADRN COc1cccc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1OC ZINC001462744638 1068152617 /nfs/dbraw/zinc/15/26/17/1068152617.db2.gz OTXRYVLRNSESKA-UHFFFAOYSA-N 0 0 456.340 4.783 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462746526 1068153035 /nfs/dbraw/zinc/15/30/35/1068153035.db2.gz SQPVKEXGGRVRCP-UPVQGACJSA-N 0 0 458.624 4.524 20 0 JJADRN Cc1ccc(CSCCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC001462746080 1068153144 /nfs/dbraw/zinc/15/31/44/1068153144.db2.gz ZPLMWRXKUOSWAS-UHFFFAOYSA-N 0 0 452.798 4.762 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@H](c2ccco2)c2ccccc2)cc1Cl ZINC001462748415 1068153728 /nfs/dbraw/zinc/15/37/28/1068153728.db2.gz CGUMFZFLQMJDCL-SFHVURJKSA-N 0 0 456.745 4.772 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(C)C)c1 ZINC001462750447 1068155167 /nfs/dbraw/zinc/15/51/67/1068155167.db2.gz AJPNRBBIIOCJMI-VWLOTQADSA-N 0 0 450.604 4.899 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)oc1-c1ccc(Br)cc1 ZINC001462756480 1068156889 /nfs/dbraw/zinc/15/68/89/1068156889.db2.gz KXHJJRVZVGKHGO-LAUBAEHRSA-N 0 0 459.315 4.933 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1nc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 ZINC001462755851 1068156999 /nfs/dbraw/zinc/15/69/99/1068156999.db2.gz IAEIRAUBGICEBV-QGZVFWFLSA-N 0 0 455.502 4.533 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC001462759056 1068157604 /nfs/dbraw/zinc/15/76/04/1068157604.db2.gz ONRINSFXTDTROK-UNMCSNQZSA-N 0 0 452.551 4.824 20 0 JJADRN COc1ccc2cc(CNS(=O)(=O)Cc3cccc(Cl)c3Br)ccc2c1 ZINC001462761697 1068158780 /nfs/dbraw/zinc/15/87/80/1068158780.db2.gz FIRKLPKLBYSDPD-UHFFFAOYSA-N 0 0 454.773 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001462764894 1068159436 /nfs/dbraw/zinc/15/94/36/1068159436.db2.gz BCVFXYWKYOPEKM-LBPRGKRZSA-N 0 0 456.839 4.981 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC001462768260 1068160706 /nfs/dbraw/zinc/16/07/06/1068160706.db2.gz VWWLBNZTQJKYQO-UHFFFAOYSA-N 0 0 456.383 4.644 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001462769976 1068161883 /nfs/dbraw/zinc/16/18/83/1068161883.db2.gz XHENGTPPXHKEIO-PKOBYXMFSA-N 0 0 454.558 4.894 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@@H](C)c2nccs2)CCOCC1 ZINC001546133813 1068163607 /nfs/dbraw/zinc/16/36/07/1068163607.db2.gz AKLOKMRRUHECCH-GOSISDBHSA-N 0 0 485.654 4.866 20 0 JJADRN COCc1nc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c(-c2ccccc2)s1 ZINC001462773641 1068163712 /nfs/dbraw/zinc/16/37/12/1068163712.db2.gz KLWWPTMMEPONLM-SJLPKXTDSA-N 0 0 459.612 4.579 20 0 JJADRN O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001462775656 1068164252 /nfs/dbraw/zinc/16/42/52/1068164252.db2.gz GSALVVTWFQMBIH-HXUWFJFHSA-N 0 0 450.391 4.735 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)Cc3cc(Br)ccc3C)cc2)ccn1 ZINC001462775047 1068164352 /nfs/dbraw/zinc/16/43/52/1068164352.db2.gz FNAFKSWDLVYBLE-UHFFFAOYSA-N 0 0 455.308 4.913 20 0 JJADRN Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)Cc2ccc(C3CCCCC3)cc2)cc1 ZINC001462776622 1068164744 /nfs/dbraw/zinc/16/47/44/1068164744.db2.gz KBKZKIDLAVUFQY-SANMLTNESA-N 0 0 456.652 4.536 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(C)C ZINC001462779774 1068165832 /nfs/dbraw/zinc/16/58/32/1068165832.db2.gz UHYCJZZXNGGJKV-UHFFFAOYSA-N 0 0 454.633 4.620 20 0 JJADRN CCN(C(=O)CNC(=O)CCc1cc(C(F)(F)F)ccc1Br)c1ccccc1 ZINC001462779051 1068165861 /nfs/dbraw/zinc/16/58/61/1068165861.db2.gz QVPAJIKHXHFJIO-UHFFFAOYSA-N 0 0 457.290 4.570 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCN(CC(F)(F)F)CC2)CCC1 ZINC001546133881 1068166579 /nfs/dbraw/zinc/16/65/79/1068166579.db2.gz CYSXYWKRHNGHAF-UHFFFAOYSA-N 0 0 481.563 4.617 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1F ZINC001462789079 1068168014 /nfs/dbraw/zinc/16/80/14/1068168014.db2.gz ANAZMXSCMRZCPS-SFHVURJKSA-N 0 0 457.907 4.534 20 0 JJADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3cccc(C)c3Br)cc21 ZINC001462790482 1068168059 /nfs/dbraw/zinc/16/80/59/1068168059.db2.gz DYTQTMBIOOGMGL-UHFFFAOYSA-N 0 0 453.310 4.757 20 0 JJADRN Cn1cc([C@@H]2[C@@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001462791223 1068168563 /nfs/dbraw/zinc/16/85/63/1068168563.db2.gz AMXCDSWWFKLNCR-WMZHIEFXSA-N 0 0 450.514 4.678 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1OC(F)(F)F ZINC001462794699 1068169589 /nfs/dbraw/zinc/16/95/89/1068169589.db2.gz WFFHPFYISHBJRQ-CQSZACIVSA-N 0 0 455.738 4.902 20 0 JJADRN O=C(c1cccc(F)c1)N1CCCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001462795186 1068169620 /nfs/dbraw/zinc/16/96/20/1068169620.db2.gz JCRODZBLVPQBBO-UHFFFAOYSA-N 0 0 458.599 4.551 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC001462794173 1068169625 /nfs/dbraw/zinc/16/96/25/1068169625.db2.gz MEWLJOPAFCHMHF-UHFFFAOYSA-N 0 0 451.903 4.655 20 0 JJADRN COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)cc1OC(F)F ZINC001462796564 1068170073 /nfs/dbraw/zinc/17/00/73/1068170073.db2.gz HNLJNRXYGCNLAC-UHFFFAOYSA-N 0 0 454.520 4.549 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC2=O)c(OC)c1 ZINC001462795936 1068170108 /nfs/dbraw/zinc/17/01/08/1068170108.db2.gz WQWDDAKLWOFSEY-INIZCTEOSA-N 0 0 450.466 4.627 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c(F)c1 ZINC001462797035 1068170657 /nfs/dbraw/zinc/17/06/57/1068170657.db2.gz RXKGWTDSQZLSLE-UHFFFAOYSA-N 0 0 451.903 4.737 20 0 JJADRN NC(=O)c1cc(NC(=O)c2ccoc2C2CC2)ccc1OCc1cccc(Br)c1 ZINC001462810019 1068172966 /nfs/dbraw/zinc/17/29/66/1068172966.db2.gz WNAUYDAUFMSPKG-UHFFFAOYSA-N 0 0 455.308 4.850 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)S(=O)(=O)c2ccc(C(=O)OC)cc2OC)cc1 ZINC001462810355 1068173397 /nfs/dbraw/zinc/17/33/97/1068173397.db2.gz UFUVNJAUPDJIEV-UHFFFAOYSA-N 0 0 459.589 4.810 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546134234 1068173419 /nfs/dbraw/zinc/17/34/19/1068173419.db2.gz QBIWDUQDZQWKEW-HXUWFJFHSA-N 0 0 469.630 4.980 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NCc3cc(NC(=O)OC(C)(C)C)ccn3)cs2)cc1 ZINC001462814422 1068174412 /nfs/dbraw/zinc/17/44/12/1068174412.db2.gz SEEGACQCEBDEPP-UHFFFAOYSA-N 0 0 452.580 4.973 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC001462818469 1068175754 /nfs/dbraw/zinc/17/57/54/1068175754.db2.gz SBWKLHXXAHGTGE-BXUZGUMPSA-N 0 0 458.349 4.667 20 0 JJADRN Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462821420 1068176295 /nfs/dbraw/zinc/17/62/95/1068176295.db2.gz DPBRCAWDSPLSSE-CVEARBPZSA-N 0 0 453.461 4.568 20 0 JJADRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)Cc2cccc(Br)c2C)cc1 ZINC001462820925 1068176311 /nfs/dbraw/zinc/17/63/11/1068176311.db2.gz ZWZRUMQBFFTVLZ-INIZCTEOSA-N 0 0 452.414 4.897 20 0 JJADRN Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462821425 1068176770 /nfs/dbraw/zinc/17/67/70/1068176770.db2.gz DPBRCAWDSPLSSE-JKSUJKDBSA-N 0 0 453.461 4.568 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)sc2c1 ZINC001462822378 1068176784 /nfs/dbraw/zinc/17/67/84/1068176784.db2.gz GKMZDMUOOWMBLU-HUUCEWRRSA-N 0 0 458.502 4.828 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc21 ZINC001462824390 1068178096 /nfs/dbraw/zinc/17/80/96/1068178096.db2.gz NAMHHQBKFQJODH-NSYGIPOTSA-N 0 0 452.551 4.754 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)CSc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC001462827073 1068179079 /nfs/dbraw/zinc/17/90/79/1068179079.db2.gz QDMWEKHFFDQOLI-ROUUACIJSA-N 0 0 458.546 4.572 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC001462828546 1068180194 /nfs/dbraw/zinc/18/01/94/1068180194.db2.gz WBOKJWHDQZNDIV-LSDHHAIUSA-N 0 0 454.411 4.552 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc2)cc1 ZINC001462829687 1068180862 /nfs/dbraw/zinc/18/08/62/1068180862.db2.gz HZYZMTIILSNUQR-FQEVSTJZSA-N 0 0 459.980 4.811 20 0 JJADRN COc1ccc(F)cc1CS(=O)(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830443 1068181415 /nfs/dbraw/zinc/18/14/15/1068181415.db2.gz FSMYVGRCSUVWOD-MRXNPFEDSA-N 0 0 457.527 4.659 20 0 JJADRN O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccc(Br)c(F)c2C1 ZINC001462830533 1068182017 /nfs/dbraw/zinc/18/20/17/1068182017.db2.gz WZYRVQQIYJZCSU-UHFFFAOYSA-N 0 0 450.333 4.607 20 0 JJADRN CCC(C)(C)N(C)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001462831682 1068182540 /nfs/dbraw/zinc/18/25/40/1068182540.db2.gz GKJFYYQXQMBNGD-OAHLLOKOSA-N 0 0 453.509 4.674 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)ccc1N1CCNC1=O ZINC001462831802 1068182558 /nfs/dbraw/zinc/18/25/58/1068182558.db2.gz RSUVJTBWPTWFBH-QHCPKHFHSA-N 0 0 456.384 4.525 20 0 JJADRN CCC(C)(C)N(C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001462831675 1068182567 /nfs/dbraw/zinc/18/25/67/1068182567.db2.gz GKJFYYQXQMBNGD-HNNXBMFYSA-N 0 0 453.509 4.674 20 0 JJADRN CCC(CC)[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)c1ccccc1 ZINC001462831773 1068182577 /nfs/dbraw/zinc/18/25/77/1068182577.db2.gz YHGUSUXMDPLJEV-QHCPKHFHSA-N 0 0 456.612 4.547 20 0 JJADRN COc1ccc(-n2cc(C(=O)N(C)Cc3ccccc3Oc3ccc(C)cc3OC)nn2)cc1 ZINC001462831693 1068182632 /nfs/dbraw/zinc/18/26/32/1068182632.db2.gz LLZJRWNBWHAKTR-UHFFFAOYSA-N 0 0 458.518 4.657 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1Cl ZINC001462832471 1068183146 /nfs/dbraw/zinc/18/31/46/1068183146.db2.gz VHXJVXGQKLIBOM-MRXNPFEDSA-N 0 0 458.967 4.949 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC001462832883 1068183234 /nfs/dbraw/zinc/18/32/34/1068183234.db2.gz BPQTYZJAXDDYEF-GFCCVEGCSA-N 0 0 455.399 4.758 20 0 JJADRN CC(C)Cc1coc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)n1 ZINC001462837378 1068185175 /nfs/dbraw/zinc/18/51/75/1068185175.db2.gz SWWDBWQIYAXVAZ-MRXNPFEDSA-N 0 0 452.349 4.840 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)Cc1cc(Br)cs1 ZINC001462839997 1068186228 /nfs/dbraw/zinc/18/62/28/1068186228.db2.gz HHAZWCWQVQLVHG-UHFFFAOYSA-N 0 0 457.184 4.541 20 0 JJADRN CC(C)c1c(C(=O)NC[C@]2(C)CCOC3(CCC3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001462840268 1068186298 /nfs/dbraw/zinc/18/62/98/1068186298.db2.gz KUGNWWBCTVRQCK-OAQYLSRUSA-N 0 0 450.505 4.879 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)CCn1ccccc1=O ZINC001462843694 1068187342 /nfs/dbraw/zinc/18/73/42/1068187342.db2.gz HWVPLSOKWJXFGL-UHFFFAOYSA-N 0 0 459.315 4.591 20 0 JJADRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC001462844225 1068187510 /nfs/dbraw/zinc/18/75/10/1068187510.db2.gz ARIDEPFOZZOPKY-AWEZNQCLSA-N 0 0 452.370 4.576 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC001462845206 1068188085 /nfs/dbraw/zinc/18/80/85/1068188085.db2.gz SUNNMVQQRVFMKX-PVOJQNHFSA-N 0 0 451.407 4.826 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC001462846462 1068188664 /nfs/dbraw/zinc/18/86/64/1068188664.db2.gz SSLOMUSAEFAHRR-UHFFFAOYSA-N 0 0 451.894 4.721 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3ccc(C(=O)OC)c(F)c3)ccc21 ZINC001462851647 1068190577 /nfs/dbraw/zinc/19/05/77/1068190577.db2.gz CGKJXXJKLQKYGK-UHFFFAOYSA-N 0 0 454.523 4.561 20 0 JJADRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC001462853469 1068191144 /nfs/dbraw/zinc/19/11/44/1068191144.db2.gz YQLJKSBSLUHRPV-CYBMUJFWSA-N 0 0 458.349 4.537 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(Cl)c1 ZINC001462853903 1068191605 /nfs/dbraw/zinc/19/16/05/1068191605.db2.gz OPMFQJXSQQDRPD-FQEVSTJZSA-N 0 0 450.343 4.848 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC001462856216 1068193029 /nfs/dbraw/zinc/19/30/29/1068193029.db2.gz YCWQLLHTSJMNFW-HNNXBMFYSA-N 0 0 459.637 4.601 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC001462856814 1068193038 /nfs/dbraw/zinc/19/30/38/1068193038.db2.gz XYNVIJBIWKUJAK-UHFFFAOYSA-N 0 0 452.979 4.705 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)c1 ZINC001462859007 1068193509 /nfs/dbraw/zinc/19/35/09/1068193509.db2.gz UBYIZPFJZSKMAN-IBGZPJMESA-N 0 0 458.045 4.816 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2ccccc2Br)ccc1OCCC(C)C ZINC001462860665 1068194050 /nfs/dbraw/zinc/19/40/50/1068194050.db2.gz WIMOWJOEBCTPHP-OAHLLOKOSA-N 0 0 456.402 4.922 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N(Cc1ccc(F)cc1F)C1CC1 ZINC001462861995 1068194310 /nfs/dbraw/zinc/19/43/10/1068194310.db2.gz JEEWTDUXNAAYPV-UHFFFAOYSA-N 0 0 450.732 4.875 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546134655 1068194415 /nfs/dbraw/zinc/19/44/15/1068194415.db2.gz DJTYLYIILWCYNY-LPHOPBHVSA-N 0 0 458.839 4.684 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)cn1 ZINC001462861859 1068194449 /nfs/dbraw/zinc/19/44/49/1068194449.db2.gz UQBFWVUNYPYLRF-UHFFFAOYSA-N 0 0 452.532 4.516 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](CC)c1cc(F)ccc1OC ZINC001462866040 1068196270 /nfs/dbraw/zinc/19/62/70/1068196270.db2.gz WASPWLYCOCCWKW-YJBOKZPZSA-N 0 0 453.601 4.766 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2sc(Cl)nc2c1)c1cccc(OCc2ccccn2)c1 ZINC001462868270 1068196708 /nfs/dbraw/zinc/19/67/08/1068196708.db2.gz FZQWREXEMZWXNK-CQSZACIVSA-N 0 0 459.980 4.963 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N=[S@](C)(=O)c2ccccc2Br)o1 ZINC001462869041 1068197339 /nfs/dbraw/zinc/19/73/39/1068197339.db2.gz GEZJWGDCEBJVLF-LHHNTRFESA-N 0 0 454.342 4.694 20 0 JJADRN CCc1c(C(=O)N=[S@](C)(=O)c2ccccc2Br)cnn1-c1ccc(F)cc1 ZINC001462871765 1068198422 /nfs/dbraw/zinc/19/84/22/1068198422.db2.gz NUZBFYAMRWFKFV-HHHXNRCGSA-N 0 0 450.333 4.633 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC001462874365 1068199146 /nfs/dbraw/zinc/19/91/46/1068199146.db2.gz SCZJVZKOOAIZPD-UHFFFAOYSA-N 0 0 459.955 4.780 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 ZINC001462876577 1068199149 /nfs/dbraw/zinc/19/91/49/1068199149.db2.gz GFLDQYZXOVAQGP-NDEPHWFRSA-N 0 0 457.349 4.999 20 0 JJADRN Cc1ccnc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1C(=O)c1ccccc1F ZINC001462878185 1068200598 /nfs/dbraw/zinc/20/05/98/1068200598.db2.gz IIWNHFWYSRWMJU-UHFFFAOYSA-N 0 0 457.292 4.896 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCc3cc(Br)ccc32)c(Cl)c1Cl ZINC001462880089 1068201188 /nfs/dbraw/zinc/20/11/88/1068201188.db2.gz QVVLYTYPIQGFBS-UHFFFAOYSA-N 0 0 451.169 4.906 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC001462880452 1068201204 /nfs/dbraw/zinc/20/12/04/1068201204.db2.gz URYDZBPRRPGYBG-UHFFFAOYSA-N 0 0 450.343 4.848 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)C[C@@H](C)COC2CCCC2)cc(C)c1OCC(F)(F)F ZINC001462880469 1068201294 /nfs/dbraw/zinc/20/12/94/1068201294.db2.gz SFFCLXDTMLATKD-HNNXBMFYSA-N 0 0 451.551 4.601 20 0 JJADRN COc1ccc(-c2nc(C(=O)N=[S@@](C)(=O)c3cccc(Br)c3)cs2)cc1 ZINC001462882092 1068201643 /nfs/dbraw/zinc/20/16/43/1068201643.db2.gz LBPJPHOKXTVJHV-SANMLTNESA-N 0 0 451.367 4.878 20 0 JJADRN COc1ccc(-c2nc(C(=O)N=[S@](C)(=O)c3cccc(Br)c3)cs2)cc1 ZINC001462882087 1068201712 /nfs/dbraw/zinc/20/17/12/1068201712.db2.gz LBPJPHOKXTVJHV-AREMUKBSSA-N 0 0 451.367 4.878 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001462882220 1068202108 /nfs/dbraw/zinc/20/21/08/1068202108.db2.gz TVQUCNSKVPZZMY-HKUYNNGSSA-N 0 0 455.530 4.734 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N=[S@@](C)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462883113 1068202126 /nfs/dbraw/zinc/20/21/26/1068202126.db2.gz WHFCTMWWGGDHRJ-KCUDFXNMSA-N 0 0 450.963 4.851 20 0 JJADRN O=C(Cc1ccccc1I)Nc1nc2c(s1)CCc1sccc1-2 ZINC001462883703 1068202620 /nfs/dbraw/zinc/20/26/20/1068202620.db2.gz TXZXJJCBLSRMNP-UHFFFAOYSA-N 0 0 452.342 4.756 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1C(C)C ZINC001462884944 1068202628 /nfs/dbraw/zinc/20/26/28/1068202628.db2.gz DTPCTQDZACGXQG-UHFFFAOYSA-N 0 0 452.016 4.807 20 0 JJADRN O=S(=O)(c1c(F)cccc1OC(F)(F)F)N(CCc1ccccc1)Cc1cccnc1 ZINC001462885152 1068202809 /nfs/dbraw/zinc/20/28/09/1068202809.db2.gz DMERNHZUZPGYAO-UHFFFAOYSA-N 0 0 454.445 4.553 20 0 JJADRN O=S(=O)(NCCOc1cccc(Cl)c1Cl)c1ccc(Br)cc1Cl ZINC001462887246 1068203841 /nfs/dbraw/zinc/20/38/41/1068203841.db2.gz MMZCDMDGEQXMEV-UHFFFAOYSA-N 0 0 459.576 4.767 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1 ZINC001546134872 1068203929 /nfs/dbraw/zinc/20/39/29/1068203929.db2.gz IDMULFBEGKMQNO-UHFFFAOYSA-N 0 0 454.636 4.511 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc(C)c1F ZINC001462889705 1068204434 /nfs/dbraw/zinc/20/44/34/1068204434.db2.gz WMQHBHFSYKTGCQ-UHFFFAOYSA-N 0 0 456.514 4.975 20 0 JJADRN CCCCCn1nc(C(=O)Nc2cc(Br)ccc2C(C)=O)c2ccccc2c1=O ZINC001462890075 1068204505 /nfs/dbraw/zinc/20/45/05/1068204505.db2.gz QFGJGYAKPZCUMB-UHFFFAOYSA-N 0 0 456.340 4.804 20 0 JJADRN COc1ccc([C@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1C ZINC001462893109 1068205389 /nfs/dbraw/zinc/20/53/89/1068205389.db2.gz KDPCWSQGXRAQBA-MOPGFXCFSA-N 0 0 453.560 4.961 20 0 JJADRN CCOc1cc(C(=O)O[C@H](C)c2ccc(OC)c(C)c2)ccc1OCC(=O)N1CCCCC1 ZINC001462895132 1068206669 /nfs/dbraw/zinc/20/66/69/1068206669.db2.gz VZYTUNPJIFAEAZ-LJQANCHMSA-N 0 0 455.551 4.712 20 0 JJADRN CCCCC1CCC(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 ZINC001462899008 1068208164 /nfs/dbraw/zinc/20/81/64/1068208164.db2.gz CIYHSEQOLQSVEJ-UHFFFAOYSA-N 0 0 459.612 4.617 20 0 JJADRN CCn1cc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nc1C ZINC001462899041 1068208205 /nfs/dbraw/zinc/20/82/05/1068208205.db2.gz GGCQJVHGSMONHW-UHFFFAOYSA-N 0 0 453.486 4.844 20 0 JJADRN O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2c(c1)OCCCO2 ZINC001462899801 1068208716 /nfs/dbraw/zinc/20/87/16/1068208716.db2.gz RTFYQJFBQZTYRF-UHFFFAOYSA-N 0 0 455.498 4.657 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC001462901070 1068208824 /nfs/dbraw/zinc/20/88/24/1068208824.db2.gz FONCKSDDHGBVBS-UHFFFAOYSA-N 0 0 458.967 4.814 20 0 JJADRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(I)s1)c1cccs1 ZINC001462903193 1068209353 /nfs/dbraw/zinc/20/93/53/1068209353.db2.gz QFAGNRQZELHLQS-AWEZNQCLSA-N 0 0 455.408 4.870 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N(CC(F)F)CC(F)F ZINC001462902101 1068209360 /nfs/dbraw/zinc/20/93/60/1068209360.db2.gz IYQAWVDJCPHLFY-UHFFFAOYSA-N 0 0 456.440 4.524 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001462902940 1068209949 /nfs/dbraw/zinc/20/99/49/1068209949.db2.gz MVXIMERUEYULQO-SNVBAGLBSA-N 0 0 459.820 4.922 20 0 JJADRN O=S(=O)(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc2nc(Cl)ncc2s1 ZINC001462904665 1068210451 /nfs/dbraw/zinc/21/04/51/1068210451.db2.gz ZJEYPQGFLPUJIJ-UHFFFAOYSA-N 0 0 451.907 4.691 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1c(C)nn2cccnc12 ZINC001462906090 1068210932 /nfs/dbraw/zinc/21/09/32/1068210932.db2.gz FVMKLGLAQLJFNR-NRFANRHFSA-N 0 0 456.518 4.658 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3C(F)(F)F)ccc2nc1Cl ZINC001462909693 1068211672 /nfs/dbraw/zinc/21/16/72/1068211672.db2.gz DYNZPMMQHKTMFE-CYBMUJFWSA-N 0 0 458.889 4.961 20 0 JJADRN CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001462922432 1068215412 /nfs/dbraw/zinc/21/54/12/1068215412.db2.gz QKPHUXSTBRPQPY-UHFFFAOYSA-N 0 0 451.169 4.512 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1Cl ZINC001462922128 1068215432 /nfs/dbraw/zinc/21/54/32/1068215432.db2.gz PDFWIMOQRITNLP-UHFFFAOYSA-N 0 0 454.957 4.872 20 0 JJADRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)CC3=O)c1 ZINC001462924025 1068215945 /nfs/dbraw/zinc/21/59/45/1068215945.db2.gz GBVRGIKZBOCHSE-UHFFFAOYSA-N 0 0 458.532 4.526 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cncn1-c1ccccc1 ZINC001462922939 1068215953 /nfs/dbraw/zinc/21/59/53/1068215953.db2.gz JNMXTPDBSQIAAP-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C)s2)c2ccccc12 ZINC001462924408 1068216064 /nfs/dbraw/zinc/21/60/64/1068216064.db2.gz UNOSUOKGIRFTLE-UHFFFAOYSA-N 0 0 455.557 4.980 20 0 JJADRN O=S(=O)(c1cccc(COCC(F)(F)C(F)F)c1)N1CCCc2cccc(Cl)c21 ZINC001462925003 1068216577 /nfs/dbraw/zinc/21/65/77/1068216577.db2.gz LVFCUUPNYIKEQO-UHFFFAOYSA-N 0 0 451.869 4.899 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(OCc2cccnc2)cc1 ZINC001462925262 1068216620 /nfs/dbraw/zinc/21/66/20/1068216620.db2.gz NOFMUDZQPGRQFM-AWEZNQCLSA-N 0 0 454.445 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001462925127 1068216640 /nfs/dbraw/zinc/21/66/40/1068216640.db2.gz NKGKWPRAVQCMTR-SSOJOUAXSA-N 0 0 456.514 4.830 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462927372 1068217113 /nfs/dbraw/zinc/21/71/13/1068217113.db2.gz FHXCCIJMMFKUBM-UWKDKTGGSA-N 0 0 454.542 4.968 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc(OCc2cccnc2)cc1 ZINC001462926874 1068217232 /nfs/dbraw/zinc/21/72/32/1068217232.db2.gz RPTWELCWTLMHGD-MRXNPFEDSA-N 0 0 453.951 4.902 20 0 JJADRN O=S(=O)(NCCOc1ccccc1-c1ccccc1)c1ccc(Br)cc1F ZINC001462928965 1068217612 /nfs/dbraw/zinc/21/76/12/1068217612.db2.gz IXKFKOYGCRRUKH-UHFFFAOYSA-N 0 0 450.329 4.613 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)Cn2ccc3ccc(F)cc32)C1 ZINC001462930389 1068218608 /nfs/dbraw/zinc/21/86/08/1068218608.db2.gz KTMUHRXBKNRZOZ-MRXNPFEDSA-N 0 0 455.505 4.650 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CCc2cccc3cccc1c32 ZINC001462931244 1068219209 /nfs/dbraw/zinc/21/92/09/1068219209.db2.gz XVGMUMMOZRERFK-HXUWFJFHSA-N 0 0 455.327 4.665 20 0 JJADRN O=S(=O)(NCCOc1ccccc1-c1ccccc1)c1cnc(Cl)cc1C(F)(F)F ZINC001462932607 1068219853 /nfs/dbraw/zinc/21/98/53/1068219853.db2.gz XADMLCFSGFBBFG-UHFFFAOYSA-N 0 0 456.873 4.778 20 0 JJADRN O=S(=O)(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Br)cc1F ZINC001462933277 1068220303 /nfs/dbraw/zinc/22/03/03/1068220303.db2.gz ZIAVWVUPICUVOF-HNNXBMFYSA-N 0 0 450.276 4.546 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)N3CCC([C@H]4CCCN4C(=O)OC(C)(C)C)CC3)ccc2c1 ZINC001462932771 1068220391 /nfs/dbraw/zinc/22/03/91/1068220391.db2.gz ACBQYGPGEFWKTB-HSZRJFAPSA-N 0 0 458.624 4.948 20 0 JJADRN CC1(C)CN(C(=O)CCC(=O)N2CCc3sccc3C2)c2cc(C(F)(F)F)ccc2O1 ZINC001462934877 1068220697 /nfs/dbraw/zinc/22/06/97/1068220697.db2.gz JFYMIULZIJUYRU-UHFFFAOYSA-N 0 0 452.498 4.636 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)cc1OC ZINC001462935359 1068220807 /nfs/dbraw/zinc/22/08/07/1068220807.db2.gz KLYNBWNZTDTFRB-GHTZIAJQSA-N 0 0 453.551 4.507 20 0 JJADRN O=S(=O)(NCc1coc(-c2cccs2)n1)c1ccc(OCC(F)F)c2ccccc21 ZINC001462934565 1068220840 /nfs/dbraw/zinc/22/08/40/1068220840.db2.gz FYEORPZQLRHXMZ-UHFFFAOYSA-N 0 0 450.488 4.679 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21)c1c(F)cccc1F ZINC001462939392 1068221903 /nfs/dbraw/zinc/22/19/03/1068221903.db2.gz ZJBWWQZSTJZEID-MRXNPFEDSA-N 0 0 456.411 4.755 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NS(=O)(=O)c2sccc2Cl)cc1OC ZINC001462938414 1068222254 /nfs/dbraw/zinc/22/22/54/1068222254.db2.gz WOXMMIUKMKPQBF-GOSISDBHSA-N 0 0 451.997 4.989 20 0 JJADRN O=C(Nc1ccccc1S(=O)(=O)N(CCc1ccccc1F)C1CCCC1)C(F)(F)F ZINC001462946101 1068224634 /nfs/dbraw/zinc/22/46/34/1068224634.db2.gz OZYBKZZRXTXALD-UHFFFAOYSA-N 0 0 458.477 4.503 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1Cl ZINC001462947302 1068225094 /nfs/dbraw/zinc/22/50/94/1068225094.db2.gz IAZDVUGOALUCGO-UHFFFAOYSA-N 0 0 457.379 4.595 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c2cccnc12 ZINC001462948301 1068225614 /nfs/dbraw/zinc/22/56/14/1068225614.db2.gz JJHJLVBYIANTTN-OAQYLSRUSA-N 0 0 454.498 4.784 20 0 JJADRN CCc1cc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c(C)cc1OC ZINC001462952549 1068226771 /nfs/dbraw/zinc/22/67/71/1068226771.db2.gz XIKLCUPGEQNFGR-HSZRJFAPSA-N 0 0 457.567 4.976 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)N(Cc1cccc(Br)c1)C1CC1 ZINC001462952815 1068226961 /nfs/dbraw/zinc/22/69/61/1068226961.db2.gz FVUMIOMBVZQEAN-UHFFFAOYSA-N 0 0 459.203 4.706 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001462951411 1068227049 /nfs/dbraw/zinc/22/70/49/1068227049.db2.gz WAFXBNXJVXHWRX-GOSISDBHSA-N 0 0 455.338 4.798 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462953971 1068228166 /nfs/dbraw/zinc/22/81/66/1068228166.db2.gz KDFSGBSPXUFTQV-RPWUZVMVSA-N 0 0 458.624 4.981 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135357 1068228206 /nfs/dbraw/zinc/22/82/06/1068228206.db2.gz UUPYGBHFDWPASU-UNMCSNQZSA-N 0 0 455.917 4.538 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1cc(F)ccc1OC ZINC001462954941 1068228879 /nfs/dbraw/zinc/22/88/79/1068228879.db2.gz WONYDXGREHXCIG-IBGZPJMESA-N 0 0 457.567 4.806 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957252 1068229456 /nfs/dbraw/zinc/22/94/56/1068229456.db2.gz DIAGVEAZPDLMMC-SMDDNHRTSA-N 0 0 454.770 4.502 20 0 JJADRN Cc1nc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1ccccc1C(C)C ZINC001462956604 1068229649 /nfs/dbraw/zinc/22/96/49/1068229649.db2.gz WVLTWXDGDVHTPE-NRFANRHFSA-N 0 0 452.530 4.651 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCc2cc(Cl)cc(Cl)c2)cc1Br ZINC001462956796 1068229769 /nfs/dbraw/zinc/22/97/69/1068229769.db2.gz SLAZFAHEBDVSLJ-UHFFFAOYSA-N 0 0 453.185 4.676 20 0 JJADRN CCCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462963846 1068230686 /nfs/dbraw/zinc/23/06/86/1068230686.db2.gz CYYWZLBLPQOMQH-DEOSSOPVSA-N 0 0 457.640 4.886 20 0 JJADRN CCc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CCCCCOC ZINC001546528611 1068230819 /nfs/dbraw/zinc/23/08/19/1068230819.db2.gz VPPNFTNWYZHLLD-UHFFFAOYSA-N 0 0 459.944 4.656 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001462965320 1068231468 /nfs/dbraw/zinc/23/14/68/1068231468.db2.gz GVBKNDSXRQPDJG-FQEVSTJZSA-N 0 0 457.368 4.923 20 0 JJADRN O=Cc1cc(-c2ccccc2)ccc1OS(=O)(=O)c1cc(F)c(Br)cc1F ZINC001462964905 1068231588 /nfs/dbraw/zinc/23/15/88/1068231588.db2.gz GKYRTQYYXDCINH-UHFFFAOYSA-N 0 0 453.260 4.975 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1c(C)cc(C)cc1C)c1ccc(Br)c(Cl)c1 ZINC001462965705 1068231643 /nfs/dbraw/zinc/23/16/43/1068231643.db2.gz QQPUYYYCECJRFV-FQEVSTJZSA-N 0 0 452.776 4.991 20 0 JJADRN CN(C)c1cc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)cc(C(F)(F)F)c1 ZINC001462969065 1068232689 /nfs/dbraw/zinc/23/26/89/1068232689.db2.gz UOTNIKBZBFSDOJ-UHFFFAOYSA-N 0 0 450.411 4.976 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001462971792 1068233359 /nfs/dbraw/zinc/23/33/59/1068233359.db2.gz DFZHZYNVDGROJA-XLIONFOSSA-N 0 0 454.542 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)c2cncc(Cl)c2)c2ccccc21 ZINC001462974225 1068234600 /nfs/dbraw/zinc/23/46/00/1068234600.db2.gz GKZUTZDGUSAVJH-PKOBYXMFSA-N 0 0 457.958 4.505 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)COC/C=C\c2ccccc2)C1 ZINC001462976571 1068235798 /nfs/dbraw/zinc/23/57/98/1068235798.db2.gz NBAHSLGXNNXGJO-REBWPMHBSA-N 0 0 450.579 4.837 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@@H]1c1ccccc1OC ZINC001462976368 1068235854 /nfs/dbraw/zinc/23/58/54/1068235854.db2.gz NKCASIKHWJDEOH-RLWLMLJZSA-N 0 0 458.562 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)c2ccnc(Cl)c2)c2ccccc21 ZINC001462977259 1068236392 /nfs/dbraw/zinc/23/63/92/1068236392.db2.gz OAEMZSMTUNZIIB-ROUUACIJSA-N 0 0 457.958 4.505 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001462979080 1068236880 /nfs/dbraw/zinc/23/68/80/1068236880.db2.gz BZOQQJQVUGAPNP-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC(Nc2ccccc2Cl)CC1 ZINC001462979783 1068237334 /nfs/dbraw/zinc/23/73/34/1068237334.db2.gz DVYQZEJNIWLVAL-UHFFFAOYSA-N 0 0 452.857 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)c2cccnc2Cl)c2ccccc21 ZINC001462981377 1068238088 /nfs/dbraw/zinc/23/80/88/1068238088.db2.gz VLOBBLDPPSSFMB-SJORKVTESA-N 0 0 457.958 4.505 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cccc2c(Cl)ccnc21)c1cccc(Br)c1 ZINC001462981452 1068238223 /nfs/dbraw/zinc/23/82/23/1068238223.db2.gz PPIBUZFDOUPHBX-UHFFFAOYSA-N 0 0 453.789 4.907 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC001462982951 1068238660 /nfs/dbraw/zinc/23/86/60/1068238660.db2.gz XLPBBDZFKRBWIU-QHCPKHFHSA-N 0 0 454.979 4.938 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1csc2ccccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462982932 1068238721 /nfs/dbraw/zinc/23/87/21/1068238721.db2.gz OVFLHNNHILKYIC-FQEVSTJZSA-N 0 0 457.621 4.587 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462982506 1068238788 /nfs/dbraw/zinc/23/87/88/1068238788.db2.gz RGICMKMGJMZDRR-HXOBKFHXSA-N 0 0 456.608 4.714 20 0 JJADRN CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001462982286 1068238823 /nfs/dbraw/zinc/23/88/23/1068238823.db2.gz LLAMNDHYORNWGE-IBGZPJMESA-N 0 0 456.530 4.651 20 0 JJADRN O=C(c1cccc(OS(=O)(=O)Cc2cc(Cl)ccc2F)c1)N1CCc2ccccc2C1 ZINC001462984342 1068239449 /nfs/dbraw/zinc/23/94/49/1068239449.db2.gz KYYXVKTZNBSSBO-UHFFFAOYSA-N 0 0 459.926 4.586 20 0 JJADRN Cc1ccc(-c2nc(CCNS(=O)(=O)c3c(Cl)cccc3Br)co2)cc1 ZINC001462986611 1068240339 /nfs/dbraw/zinc/24/03/39/1068240339.db2.gz UWSAWAQVXPTGEE-UHFFFAOYSA-N 0 0 455.761 4.587 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001462985866 1068240438 /nfs/dbraw/zinc/24/04/38/1068240438.db2.gz GIWILFYGSISCJY-JOCHJYFZSA-N 0 0 458.942 4.936 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)Oc1cccc(Oc2ncccn2)c1 ZINC001462986367 1068240547 /nfs/dbraw/zinc/24/05/47/1068240547.db2.gz RNEHBCXLZOQVBW-UHFFFAOYSA-N 0 0 455.717 4.761 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001462985867 1068240587 /nfs/dbraw/zinc/24/05/87/1068240587.db2.gz GIWILFYGSISCJY-QFIPXVFZSA-N 0 0 458.942 4.936 20 0 JJADRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001462986959 1068240609 /nfs/dbraw/zinc/24/06/09/1068240609.db2.gz VVJPSLBFOFWKKA-HXUWFJFHSA-N 0 0 453.391 4.664 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Br)cc1C(F)(F)F ZINC001462987844 1068240974 /nfs/dbraw/zinc/24/09/74/1068240974.db2.gz BRFCYFPCIBVERV-LLVKDONJSA-N 0 0 459.237 4.907 20 0 JJADRN CCn1c2ccccc2n(CC(=O)Nc2cc(Br)cc(C(F)(F)F)c2C)c1=O ZINC001462990953 1068242168 /nfs/dbraw/zinc/24/21/68/1068242168.db2.gz PINMROHDOAFLRF-UHFFFAOYSA-N 0 0 456.262 4.551 20 0 JJADRN CC(C)COC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccco1 ZINC001462993129 1068242595 /nfs/dbraw/zinc/24/25/95/1068242595.db2.gz SZEZXQRJLAENSS-MRXNPFEDSA-N 0 0 450.782 4.529 20 0 JJADRN CC(C)COC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccco1 ZINC001462994006 1068242722 /nfs/dbraw/zinc/24/27/22/1068242722.db2.gz WJRANLHRRHPBBF-INIZCTEOSA-N 0 0 450.782 4.529 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC001462993204 1068242805 /nfs/dbraw/zinc/24/28/05/1068242805.db2.gz GKKWZDHIOCUHIY-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(F)(F)F)c1 ZINC001462999291 1068244547 /nfs/dbraw/zinc/24/45/47/1068244547.db2.gz GHIBULDTHCKTSP-UHFFFAOYSA-N 0 0 453.429 4.615 20 0 JJADRN Cn1ncc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1I ZINC001462998679 1068244616 /nfs/dbraw/zinc/24/46/16/1068244616.db2.gz OMMWDIZIFREMPS-UHFFFAOYSA-N 0 0 452.104 4.799 20 0 JJADRN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCc2cc(Br)cc(F)c21 ZINC001463000439 1068245117 /nfs/dbraw/zinc/24/51/17/1068245117.db2.gz UYQAEFMGSTUFCF-UHFFFAOYSA-N 0 0 454.239 4.628 20 0 JJADRN CCCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001463000523 1068245145 /nfs/dbraw/zinc/24/51/45/1068245145.db2.gz VXDHOXACJOYQEM-KRWDZBQOSA-N 0 0 455.979 4.885 20 0 JJADRN O=S(=O)(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc(Br)cc1 ZINC001463004800 1068246240 /nfs/dbraw/zinc/24/62/40/1068246240.db2.gz DXPAMWBRIIAXFX-UHFFFAOYSA-N 0 0 450.329 4.646 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463003270 1068246397 /nfs/dbraw/zinc/24/63/97/1068246397.db2.gz DNGXNZZVHQQZLB-IPMKNSEASA-N 0 0 453.954 4.861 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)cnn1-c1ccccn1 ZINC001463006019 1068247550 /nfs/dbraw/zinc/24/75/50/1068247550.db2.gz OEMXNAMDCUEIEM-NRFANRHFSA-N 0 0 459.015 4.699 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001463006841 1068247919 /nfs/dbraw/zinc/24/79/19/1068247919.db2.gz QLBCQFRVWYELHA-GOSISDBHSA-N 0 0 458.045 4.556 20 0 JJADRN Cc1ccc(Br)c(CS(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC001463007604 1068248116 /nfs/dbraw/zinc/24/81/16/1068248116.db2.gz LGCLOMRFDRDKBN-UHFFFAOYSA-N 0 0 459.409 4.727 20 0 JJADRN O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC001463008314 1068248601 /nfs/dbraw/zinc/24/86/01/1068248601.db2.gz VQZWMQHRMGPONH-HXUWFJFHSA-N 0 0 450.329 4.504 20 0 JJADRN CC(C)(C)C(=O)c1ccc(S(=O)(=O)NC(C)(C)Cc2ccc(Br)cc2)cc1 ZINC001463008724 1068248659 /nfs/dbraw/zinc/24/86/59/1068248659.db2.gz MQNQFPALFITGEH-UHFFFAOYSA-N 0 0 452.414 4.978 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1 ZINC001463008770 1068248744 /nfs/dbraw/zinc/24/87/44/1068248744.db2.gz OCZGUIVYKCEUOK-UHFFFAOYSA-N 0 0 455.967 4.659 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1C(F)(F)F ZINC001463010115 1068249746 /nfs/dbraw/zinc/24/97/46/1068249746.db2.gz WHQOZXYLDLYDNB-YOEHRIQHSA-N 0 0 458.521 4.981 20 0 JJADRN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463013173 1068250880 /nfs/dbraw/zinc/25/08/80/1068250880.db2.gz FEQBXIPJNVKMRL-GOSISDBHSA-N 0 0 450.760 4.859 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001463014989 1068252165 /nfs/dbraw/zinc/25/21/65/1068252165.db2.gz AAGUPJFNHXGKCE-JKIFEVAISA-N 0 0 450.967 4.753 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc(Br)s3)c2)cc1 ZINC001463015758 1068252553 /nfs/dbraw/zinc/25/25/53/1068252553.db2.gz KHQBKXZRVAZSLY-UHFFFAOYSA-N 0 0 452.351 4.839 20 0 JJADRN Cc1ccccc1-c1csc(N(Cc2ccccc2)C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC001463018946 1068253787 /nfs/dbraw/zinc/25/37/87/1068253787.db2.gz GKHUABUEFNHYQF-UHFFFAOYSA-N 0 0 452.557 4.962 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC001463023597 1068255694 /nfs/dbraw/zinc/25/56/94/1068255694.db2.gz MCINGCQRJPPIMA-UHFFFAOYSA-N 0 0 459.933 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCC[C@H]2OCCc3ccccc32)C1 ZINC001463027512 1068256900 /nfs/dbraw/zinc/25/69/00/1068256900.db2.gz WSVFYIHMBJWGNQ-QLBJFCOMSA-N 0 0 464.606 4.533 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)s1 ZINC001463034290 1068258324 /nfs/dbraw/zinc/25/83/24/1068258324.db2.gz QRHDBWNBXLLESE-AWEZNQCLSA-N 0 0 450.532 4.619 20 0 JJADRN CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC001463038736 1068259406 /nfs/dbraw/zinc/25/94/06/1068259406.db2.gz GEQLUMZZUKBNLS-HNNXBMFYSA-N 0 0 459.033 4.965 20 0 JJADRN CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC001463038737 1068259642 /nfs/dbraw/zinc/25/96/42/1068259642.db2.gz GEQLUMZZUKBNLS-OAHLLOKOSA-N 0 0 459.033 4.965 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)C1=Cc2ccc(OC)cc2CC1 ZINC001463040246 1068260933 /nfs/dbraw/zinc/26/09/33/1068260933.db2.gz MMRPUTHVDFMQNI-UHFFFAOYSA-N 0 0 456.541 4.906 20 0 JJADRN CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001463041471 1068260974 /nfs/dbraw/zinc/26/09/74/1068260974.db2.gz LDQADLCDXPECGC-HSZRJFAPSA-N 0 0 457.983 4.518 20 0 JJADRN COc1ccc2c(c1)c(C(=O)Nc1cc(=O)n(C)cc1Br)c(C)n2C1CCCC1 ZINC001463040289 1068261187 /nfs/dbraw/zinc/26/11/87/1068261187.db2.gz AHDXFNCILNABEP-UHFFFAOYSA-N 0 0 458.356 4.787 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001463044032 1068262566 /nfs/dbraw/zinc/26/25/66/1068262566.db2.gz URLPBXQRSXAMFF-UHFFFAOYSA-N 0 0 455.308 4.874 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NC(C)(C)c3ccc(OCC(C)C)cc3)cc21 ZINC001463048475 1068264943 /nfs/dbraw/zinc/26/49/43/1068264943.db2.gz OSGZVTVUWWPUPI-SFHVURJKSA-N 0 0 458.624 4.795 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccc(Cl)cc1 ZINC001463048791 1068265045 /nfs/dbraw/zinc/26/50/45/1068265045.db2.gz IWYAKAWLFRYZRS-RUZDIDTESA-N 0 0 458.790 4.706 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)cc1 ZINC001463048913 1068265097 /nfs/dbraw/zinc/26/50/97/1068265097.db2.gz JZSMMKIDEJPSBL-HKBQPEDESA-N 0 0 451.935 4.645 20 0 JJADRN CC(=O)N1CCc2sc(S(=O)(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)cc2C1 ZINC001463052766 1068266883 /nfs/dbraw/zinc/26/68/83/1068266883.db2.gz FYEHUIRLBBBJEB-NRFANRHFSA-N 0 0 453.029 4.516 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463053574 1068267350 /nfs/dbraw/zinc/26/73/50/1068267350.db2.gz DMSBRNIUPSUCOY-ZDUSSCGKSA-N 0 0 454.976 4.743 20 0 JJADRN CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cnc2ccsc2c1 ZINC001463054127 1068267415 /nfs/dbraw/zinc/26/74/15/1068267415.db2.gz MIPDQFGFJOSMCH-OAHLLOKOSA-N 0 0 455.424 4.916 20 0 JJADRN Cc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001463055269 1068268067 /nfs/dbraw/zinc/26/80/67/1068268067.db2.gz JTZVVCMMEMSSRM-OAHLLOKOSA-N 0 0 450.276 4.622 20 0 JJADRN COc1ccccc1SC[C@H](C)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001463056834 1068268666 /nfs/dbraw/zinc/26/86/66/1068268666.db2.gz OOWVEBIVOTYTLW-GFCCVEGCSA-N 0 0 451.944 4.657 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2Oc2ccccc2C)cc1 ZINC001463057812 1068269208 /nfs/dbraw/zinc/26/92/08/1068269208.db2.gz RHISETSYWILMNW-UHFFFAOYSA-N 0 0 453.560 4.716 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1 ZINC001463059985 1068269848 /nfs/dbraw/zinc/26/98/48/1068269848.db2.gz ZMUVLUFCQMVQOI-INIZCTEOSA-N 0 0 452.016 4.954 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(Cl)cccc1Br ZINC001463062822 1068271550 /nfs/dbraw/zinc/27/15/50/1068271550.db2.gz NNAPJEBSCBDTKN-SFHVURJKSA-N 0 0 452.776 4.714 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001463062269 1068271780 /nfs/dbraw/zinc/27/17/80/1068271780.db2.gz DYPNKIRTSGPMID-NRFANRHFSA-N 0 0 457.615 4.515 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2nscc2Br)CCC1 ZINC001463064897 1068272724 /nfs/dbraw/zinc/27/27/24/1068272724.db2.gz URDXBZCTDLRDMT-CQSZACIVSA-N 0 0 458.422 4.595 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC001463066120 1068274187 /nfs/dbraw/zinc/27/41/87/1068274187.db2.gz PJGCCFFAKFACGD-KUHUBIRLSA-N 0 0 450.348 4.966 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001463068298 1068274711 /nfs/dbraw/zinc/27/47/11/1068274711.db2.gz XXLCENZODRUMKW-JJEOQYAHSA-N 0 0 450.579 4.936 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001463069626 1068276044 /nfs/dbraw/zinc/27/60/44/1068276044.db2.gz WXKQIIDULZBMPV-BHIFYINESA-N 0 0 454.998 4.800 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001463070176 1068276097 /nfs/dbraw/zinc/27/60/97/1068276097.db2.gz WHBRXLZMYZDGJY-VGOFRKELSA-N 0 0 451.405 4.596 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001463070386 1068276171 /nfs/dbraw/zinc/27/61/71/1068276171.db2.gz WWIJZHXPSLLIAD-LHSJRXKWSA-N 0 0 455.368 4.806 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cnc1N ZINC001463072816 1068277394 /nfs/dbraw/zinc/27/73/94/1068277394.db2.gz RKYVKTBZKBKACE-IBGZPJMESA-N 0 0 454.354 4.680 20 0 JJADRN O=C(NCc1cnn(CC2CCC2)c1)c1ccccc1Sc1ccc(Br)cn1 ZINC001463074090 1068277827 /nfs/dbraw/zinc/27/78/27/1068277827.db2.gz AZIYGICDXWRQDJ-UHFFFAOYSA-N 0 0 457.397 4.922 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC001463073398 1068277872 /nfs/dbraw/zinc/27/78/72/1068277872.db2.gz DBFYQMVNGDACGS-UHFFFAOYSA-N 0 0 455.502 4.545 20 0 JJADRN CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001463073293 1068277962 /nfs/dbraw/zinc/27/79/62/1068277962.db2.gz ISXGUDJGMZLGMF-DBDZUICISA-N 0 0 452.495 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCSc2ccc(Br)cc2)C(C)(C)C1 ZINC001463075126 1068278585 /nfs/dbraw/zinc/27/85/85/1068278585.db2.gz VCVLWLIMKNRMCM-INIZCTEOSA-N 0 0 457.434 4.693 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001463077556 1068279648 /nfs/dbraw/zinc/27/96/48/1068279648.db2.gz XEOLITOZNRQNFS-DQEYMECFSA-N 0 0 454.592 4.935 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(F)c(Br)c2)ccc1Br ZINC001463078761 1068280203 /nfs/dbraw/zinc/28/02/03/1068280203.db2.gz JHHUAUVVXQRSAC-SNVBAGLBSA-N 0 0 451.155 4.699 20 0 JJADRN COc1cc(F)c([C@H](C)NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1OC ZINC001463080773 1068280605 /nfs/dbraw/zinc/28/06/05/1068280605.db2.gz QLIJCRJZCQQKMV-LBPRGKRZSA-N 0 0 452.573 4.790 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1cccc(F)c1 ZINC001463081246 1068280706 /nfs/dbraw/zinc/28/07/06/1068280706.db2.gz SFOBWQLICPXGQZ-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC001463079854 1068280798 /nfs/dbraw/zinc/28/07/98/1068280798.db2.gz ZVKDLDBMFRIVOP-CQSZACIVSA-N 0 0 458.285 4.687 20 0 JJADRN COc1cc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)c(OC)cc1Br ZINC001463081393 1068281295 /nfs/dbraw/zinc/28/12/95/1068281295.db2.gz VMLVQWCKJLYLDL-UHFFFAOYSA-N 0 0 456.402 4.501 20 0 JJADRN Cc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)OCO2 ZINC001463083758 1068281333 /nfs/dbraw/zinc/28/13/33/1068281333.db2.gz BOGGXXNHALRGAL-NRFANRHFSA-N 0 0 451.878 4.723 20 0 JJADRN COc1cc(F)c(S(=O)(=O)NCc2ccccc2COc2ccccc2Cl)cc1F ZINC001463086280 1068282363 /nfs/dbraw/zinc/28/23/63/1068282363.db2.gz BZDHBGYYGBPYKA-UHFFFAOYSA-N 0 0 453.894 4.684 20 0 JJADRN COc1cccc(F)c1CNC(=O)CCCCCc1ccc(I)cc1 ZINC001463086556 1068282634 /nfs/dbraw/zinc/28/26/34/1068282634.db2.gz LZTKTIKPXJYPIH-UHFFFAOYSA-N 0 0 455.311 4.858 20 0 JJADRN O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2S(=O)(=O)Cc1ccc(F)cc1 ZINC001463091519 1068283580 /nfs/dbraw/zinc/28/35/80/1068283580.db2.gz GHBKNBSWZSTKIN-UHFFFAOYSA-N 0 0 457.502 4.891 20 0 JJADRN Cc1ccc(I)cc1C(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001463091764 1068283602 /nfs/dbraw/zinc/28/36/02/1068283602.db2.gz LCLMPMIAJGUFIT-LBPRGKRZSA-N 0 0 458.137 4.896 20 0 JJADRN Cc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463098071 1068285966 /nfs/dbraw/zinc/28/59/66/1068285966.db2.gz MMXJMWZKHWNMAF-ISKFKSNPSA-N 0 0 458.624 4.803 20 0 JJADRN Cc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463098078 1068286045 /nfs/dbraw/zinc/28/60/45/1068286045.db2.gz MMXJMWZKHWNMAF-LADGPHEKSA-N 0 0 458.624 4.803 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)NC[C@@H](C)c3ccc(Br)cc3)n2)cc1 ZINC001463099826 1068286743 /nfs/dbraw/zinc/28/67/43/1068286743.db2.gz ZBICOTMKWIPYSL-OAHLLOKOSA-N 0 0 458.356 4.750 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)C1CCOCC1)c1cc(Br)sc1Cl ZINC001463099887 1068286775 /nfs/dbraw/zinc/28/67/75/1068286775.db2.gz WKCFODYLGAXMGX-OAHLLOKOSA-N 0 0 450.807 4.610 20 0 JJADRN CCc1cccc(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001463101604 1068288102 /nfs/dbraw/zinc/28/81/02/1068288102.db2.gz OXGPXWIOFQWGCJ-UHFFFAOYSA-N 0 0 453.539 4.779 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)S(=O)(=O)C[C@@H]2CC3(CCC3)CO2)cc1C ZINC001463101274 1068288124 /nfs/dbraw/zinc/28/81/24/1068288124.db2.gz ZXVUBLKPZRGGPN-DEOSSOPVSA-N 0 0 457.636 4.912 20 0 JJADRN CC1(C)CC[C@H](CCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)OC1 ZINC001463104317 1068289048 /nfs/dbraw/zinc/28/90/48/1068289048.db2.gz WJXMVHYMKCGTQN-CQSZACIVSA-N 0 0 457.411 4.894 20 0 JJADRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 ZINC001463108427 1068290000 /nfs/dbraw/zinc/29/00/00/1068290000.db2.gz RVQJKAJATVONCR-QGZVFWFLSA-N 0 0 458.605 4.784 20 0 JJADRN Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463115104 1068291670 /nfs/dbraw/zinc/29/16/70/1068291670.db2.gz SIKZNZMJIPLMJP-QHCPKHFHSA-N 0 0 452.551 4.782 20 0 JJADRN COc1cccc([C@H](NS(=O)(=O)c2cnn(-c3ccccc3)c2)c2ccccc2Cl)c1 ZINC001463115208 1068292218 /nfs/dbraw/zinc/29/22/18/1068292218.db2.gz ULVKIDSOVAEZAP-QHCPKHFHSA-N 0 0 453.951 4.602 20 0 JJADRN O=S(=O)(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C(F)(F)F)cc1Cl ZINC001463115642 1068292240 /nfs/dbraw/zinc/29/22/40/1068292240.db2.gz HIHNTJASYSATKP-UHFFFAOYSA-N 0 0 452.241 4.541 20 0 JJADRN Cc1nc(C(C)(C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)sc1C ZINC001463117712 1068293336 /nfs/dbraw/zinc/29/33/36/1068293336.db2.gz MWOGMHHKILMTKN-UHFFFAOYSA-N 0 0 457.337 4.755 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(OC(C)C)nc2)c1 ZINC001463117110 1068293342 /nfs/dbraw/zinc/29/33/42/1068293342.db2.gz OKPQUEZTHODKFC-XMMPIXPASA-N 0 0 454.592 4.757 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H]1COc1ccc(Br)cc1)[C@H]1OCCc2sccc21 ZINC001463120101 1068293810 /nfs/dbraw/zinc/29/38/10/1068293810.db2.gz HWVIAFIHTQMDSH-DKICVRJWSA-N 0 0 450.398 4.831 20 0 JJADRN CC(C)C[C@@H]1CCCCCN1S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001463122867 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452.320 4.990 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(F)cc1Br ZINC001463126708 1068296262 /nfs/dbraw/zinc/29/62/62/1068296262.db2.gz OSQIVIDSPRYLHJ-LJQANCHMSA-N 0 0 452.320 4.990 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001463128243 1068296544 /nfs/dbraw/zinc/29/65/44/1068296544.db2.gz RUJUERBNVZGMAN-UHFFFAOYSA-N 0 0 453.391 4.838 20 0 JJADRN CC(C)C[C@@]1(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)CCNC1=O ZINC001463136744 1068299714 /nfs/dbraw/zinc/29/97/14/1068299714.db2.gz YSEKBZSNCUHOEG-QFIPXVFZSA-N 0 0 451.405 4.899 20 0 JJADRN O=S(=O)(Oc1cc(Cl)ccc1F)c1scc(Br)c1Br ZINC001463136966 1068299733 /nfs/dbraw/zinc/29/97/33/1068299733.db2.gz JHXCVWNDYVGGMN-UHFFFAOYSA-N 0 0 450.532 4.833 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463138977 1068300294 /nfs/dbraw/zinc/30/02/94/1068300294.db2.gz VULGSMHZMMZPGF-SECBINFHSA-N 0 0 454.663 4.851 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 ZINC001463141177 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0 456.391 4.848 20 0 JJADRN CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC001463152049 1068304910 /nfs/dbraw/zinc/30/49/10/1068304910.db2.gz APIZOZHPMNQTAF-MRXNPFEDSA-N 0 0 453.004 4.602 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC(Nc4cccc(C)c4)CC3)ccc2s1 ZINC001463155609 1068305977 /nfs/dbraw/zinc/30/59/77/1068305977.db2.gz RNQKWBXIVAUJSW-UHFFFAOYSA-N 0 0 458.605 4.652 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)NC(c3cccs3)c3cccs3)cc2N1 ZINC001463159283 1068306561 /nfs/dbraw/zinc/30/65/61/1068306561.db2.gz XOIUWSHWGKKLRK-UHFFFAOYSA-N 0 0 453.010 4.806 20 0 JJADRN CC(C)(C)c1csc(-c2cccc(OS(=O)(=O)c3ccccc3Cn3cncn3)c2)n1 ZINC001463158522 1068306677 /nfs/dbraw/zinc/30/66/77/1068306677.db2.gz UAYYMSFXVMCKBF-UHFFFAOYSA-N 0 0 454.577 4.515 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cc(OC(F)(F)F)ccc1Br ZINC001463161019 1068307262 /nfs/dbraw/zinc/30/72/62/1068307262.db2.gz FBMPBCWPGROMJJ-AWEZNQCLSA-N 0 0 451.283 4.713 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1C ZINC001463164686 1068307436 /nfs/dbraw/zinc/30/74/36/1068307436.db2.gz JTSOFWQMVBIQNL-UHFFFAOYSA-N 0 0 454.939 4.850 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N(C)Cc3nc([C@H](C)OCC(C)C)no3)cc2)c1 ZINC001463171218 1068309080 /nfs/dbraw/zinc/30/90/80/1068309080.db2.gz WDULCSOWRMRXEQ-SFHVURJKSA-N 0 0 459.568 4.725 20 0 JJADRN C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1Cl)Oc1ccc(Cl)cc1 ZINC001463171963 1068309266 /nfs/dbraw/zinc/30/92/66/1068309266.db2.gz HPUYONGEAKJNHP-LLVKDONJSA-N 0 0 453.185 4.643 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)cc1 ZINC001463174703 1068309762 /nfs/dbraw/zinc/30/97/62/1068309762.db2.gz DWXMXZLFXJDCKR-ICSRJNTNSA-N 0 0 452.403 4.865 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001463174986 1068309936 /nfs/dbraw/zinc/30/99/36/1068309936.db2.gz IQDXAPKHZZGIEM-RRPNLBNLSA-N 0 0 476.642 4.658 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463178691 1068310686 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MEIKGUDWCNBUFL-ZFWWWQNUSA-N 0 0 458.805 4.925 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC001463186155 1068313763 /nfs/dbraw/zinc/31/37/63/1068313763.db2.gz MQXMKVWBHBXTRU-GOSISDBHSA-N 0 0 452.016 4.662 20 0 JJADRN CC1(CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCC2(CC1)OCCO2 ZINC001463190278 1068315054 /nfs/dbraw/zinc/31/50/54/1068315054.db2.gz FGNARUSKSAZNRX-UHFFFAOYSA-N 0 0 454.514 4.811 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1c(F)cccc1Br ZINC001463193483 1068316262 /nfs/dbraw/zinc/31/62/62/1068316262.db2.gz KDVSPHKGZRRHPZ-GFCCVEGCSA-N 0 0 454.283 4.907 20 0 JJADRN CO[C@H](CS(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1)c1ccc(F)cc1 ZINC001463197574 1068316997 /nfs/dbraw/zinc/31/69/97/1068316997.db2.gz SKGFUGOLIBYPNA-AUSIDOKSSA-N 0 0 459.587 4.653 20 0 JJADRN CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c2cccc(Cl)c21 ZINC001463196375 1068317134 /nfs/dbraw/zinc/31/71/34/1068317134.db2.gz NNYHKPMZWRSYNC-AWEZNQCLSA-N 0 0 456.391 4.895 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)ccc2OC)c1 ZINC001463200606 1068318208 /nfs/dbraw/zinc/31/82/08/1068318208.db2.gz MWUDEOVQQXIBFN-UHFFFAOYSA-N 0 0 459.955 4.520 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)s1 ZINC001463203184 1068318534 /nfs/dbraw/zinc/31/85/34/1068318534.db2.gz GMDJNWZXSADHCF-LJQANCHMSA-N 0 0 453.944 4.704 20 0 JJADRN Cc1ccc(NC(=O)C2(CNS(=O)(=O)Cc3cc(F)ccc3Cl)CCCC2)cc1C ZINC001463202030 1068318874 /nfs/dbraw/zinc/31/88/74/1068318874.db2.gz KMSGZQADIQLXPZ-UHFFFAOYSA-N 0 0 452.979 4.714 20 0 JJADRN CCOc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC001463204696 1068319317 /nfs/dbraw/zinc/31/93/17/1068319317.db2.gz WOCPLGSDYRPBPG-DEOSSOPVSA-N 0 0 450.966 4.959 20 0 JJADRN CN(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)S(=O)(=O)Cc1noc(C2CC2)n1 ZINC001463206552 1068320351 /nfs/dbraw/zinc/32/03/51/1068320351.db2.gz UAZOOVMCDSUVJK-UHFFFAOYSA-N 0 0 452.363 4.805 20 0 JJADRN O=S(=O)(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Cl)s1 ZINC001463208547 1068320728 /nfs/dbraw/zinc/32/07/28/1068320728.db2.gz YSUIPSORENOEEC-LJQANCHMSA-N 0 0 456.372 4.894 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H]([C@H]3CCOC3)C(F)(F)F)c3cnn(C(C)C)c3n2)s1 ZINC001463209925 1068321209 /nfs/dbraw/zinc/32/12/09/1068321209.db2.gz MMQOEIZTHXTDRG-UGSOOPFHSA-N 0 0 452.502 4.746 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC001463211504 1068321423 /nfs/dbraw/zinc/32/14/23/1068321423.db2.gz VZOFOQSCDQTLKH-GOSISDBHSA-N 0 0 453.560 4.921 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001463211238 1068321484 /nfs/dbraw/zinc/32/14/84/1068321484.db2.gz AJAWBQRJXGNOTC-KLHJMIIUSA-N 0 0 457.514 4.795 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 ZINC001463216178 1068323018 /nfs/dbraw/zinc/32/30/18/1068323018.db2.gz JFYUQUSGWHZMEN-ZCYQVOJMSA-N 0 0 452.576 4.613 20 0 JJADRN CCCN([C@H]1C[C@H](OCC)C12CCCCC2)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001463214977 1068323077 /nfs/dbraw/zinc/32/30/77/1068323077.db2.gz BIBVFXNTRNUTEM-SFTDATJTSA-N 0 0 457.036 4.827 20 0 JJADRN O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001463218655 1068323408 /nfs/dbraw/zinc/32/34/08/1068323408.db2.gz ISCBNZQSXXUBTP-HNNXBMFYSA-N 0 0 454.297 4.998 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CCC1 ZINC001546137329 1068324153 /nfs/dbraw/zinc/32/41/53/1068324153.db2.gz NTJRFYLTSABPOX-UHFFFAOYSA-N 0 0 456.635 4.748 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC001463221088 1068324608 /nfs/dbraw/zinc/32/46/08/1068324608.db2.gz AVUFSIXIXXQRLA-UHFFFAOYSA-N 0 0 453.004 4.570 20 0 JJADRN CC1(C)CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)O1 ZINC001463230530 1068328758 /nfs/dbraw/zinc/32/87/58/1068328758.db2.gz BBILDTXPMLOVMQ-FQEVSTJZSA-N 0 0 454.571 4.629 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCc1ncc(Br)cn1 ZINC001463233517 1068329907 /nfs/dbraw/zinc/32/99/07/1068329907.db2.gz NBEWMEUJTOURGU-UHFFFAOYSA-N 0 0 458.168 4.908 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C ZINC001463234925 1068330403 /nfs/dbraw/zinc/33/04/03/1068330403.db2.gz VXPWKNMILQLNRO-GOSISDBHSA-N 0 0 452.601 4.929 20 0 JJADRN O=S(=O)(CCc1c(F)cccc1F)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463240252 1068331940 /nfs/dbraw/zinc/33/19/40/1068331940.db2.gz ZMHCIWPTASILTN-CQSZACIVSA-N 0 0 450.334 4.687 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC001463245264 1068332774 /nfs/dbraw/zinc/33/27/74/1068332774.db2.gz CNEHHYXPUFTCSR-HSZRJFAPSA-N 0 0 453.564 4.623 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC ZINC001463245867 1068333212 /nfs/dbraw/zinc/33/32/12/1068333212.db2.gz FCPXKKVXTKMNSQ-GVAUOCQISA-N 0 0 472.557 4.803 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)CCCc1ccc(Br)s1 ZINC001463247324 1068333868 /nfs/dbraw/zinc/33/38/68/1068333868.db2.gz GPOVUNMCVYHRDM-VLIAUNLRSA-N 0 0 457.434 4.739 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001463250212 1068334341 /nfs/dbraw/zinc/33/43/41/1068334341.db2.gz OJJNJNWSEGOCPG-HXUWFJFHSA-N 0 0 453.461 4.743 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC001463250814 1068334801 /nfs/dbraw/zinc/33/48/01/1068334801.db2.gz LBIKKZAEQNFRDA-UHFFFAOYSA-N 0 0 459.011 4.852 20 0 JJADRN C[C@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)Oc1ccccc1Br ZINC001463251277 1068334828 /nfs/dbraw/zinc/33/48/28/1068334828.db2.gz UWEAZGFAVCJFOE-LLVKDONJSA-N 0 0 453.185 4.643 20 0 JJADRN CCc1ccc(C(C)(C)NS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001463250788 1068334884 /nfs/dbraw/zinc/33/48/84/1068334884.db2.gz ACETUZPOSXHGLH-HSZRJFAPSA-N 0 0 458.624 4.595 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@H](c3ccc(F)cc3)c3ccc(Cl)cc3)cc12 ZINC001463251208 1068335027 /nfs/dbraw/zinc/33/50/27/1068335027.db2.gz BDOQVNIGAGUOBC-NRFANRHFSA-N 0 0 459.930 4.988 20 0 JJADRN CSc1cc(C(=O)Nc2nc3n(c2C(=O)OC(C)(C)C)CCOC3)c(Cl)cc1Cl ZINC001463259270 1068337253 /nfs/dbraw/zinc/33/72/53/1068337253.db2.gz QOVJMOAZUIHHEN-UHFFFAOYSA-N 0 0 458.367 4.650 20 0 JJADRN COc1cccc([C@H](NS(=O)(=O)c2cc(C)c(OC)c(C)c2)c2cc(F)ccc2OC)c1 ZINC001463261238 1068337433 /nfs/dbraw/zinc/33/74/33/1068337433.db2.gz CVWVXDDEHMBOOP-QHCPKHFHSA-N 0 0 459.539 4.536 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001463261364 1068337483 /nfs/dbraw/zinc/33/74/83/1068337483.db2.gz UVHGIJDEOORYNR-YADHBBJMSA-N 0 0 472.626 4.880 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC001463261867 1068337695 /nfs/dbraw/zinc/33/76/95/1068337695.db2.gz HACWIWZKDPBPHQ-HXUWFJFHSA-N 0 0 459.530 4.923 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001463262573 1068337776 /nfs/dbraw/zinc/33/77/76/1068337776.db2.gz OCMWVAGXLLVTLZ-UKRRQHHQSA-N 0 0 458.805 4.753 20 0 JJADRN O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001463262282 1068337860 /nfs/dbraw/zinc/33/78/60/1068337860.db2.gz SDKPPBYBMWDMBU-VQIMIIECSA-N 0 0 455.548 4.555 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001463263735 1068339101 /nfs/dbraw/zinc/33/91/01/1068339101.db2.gz VSKHQMWCHXTKSH-SFHVURJKSA-N 0 0 458.502 4.652 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463267866 1068339221 /nfs/dbraw/zinc/33/92/21/1068339221.db2.gz JGTMOXPCJOFXDS-IAGOWNOFSA-N 0 0 457.983 4.800 20 0 JJADRN O=S(=O)(c1c(F)cc(Br)cc1F)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001463265624 1068339446 /nfs/dbraw/zinc/33/94/46/1068339446.db2.gz LRDSFLRMJBBNPF-UHFFFAOYSA-N 0 0 457.123 4.781 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)c3cc(C)ccc3Br)s2)cc1 ZINC001463267701 1068339834 /nfs/dbraw/zinc/33/98/34/1068339834.db2.gz WRWFONMIIIVWRG-UHFFFAOYSA-N 0 0 452.395 4.973 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001463267525 1068339905 /nfs/dbraw/zinc/33/99/05/1068339905.db2.gz UTKKYCUOLCGTBT-UHFFFAOYSA-N 0 0 453.160 4.950 20 0 JJADRN CCCCO[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(C)C ZINC001463269350 1068339953 /nfs/dbraw/zinc/33/99/53/1068339953.db2.gz PLPBIGWSSZKTJM-SJORKVTESA-N 0 0 452.842 4.848 20 0 JJADRN CCCCO[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(C)C ZINC001463269339 1068340144 /nfs/dbraw/zinc/34/01/44/1068340144.db2.gz PLPBIGWSSZKTJM-DLBZAZTESA-N 0 0 452.842 4.848 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1)c1ccccc1 ZINC001463270792 1068340329 /nfs/dbraw/zinc/34/03/29/1068340329.db2.gz ATHCQRYBIPIHMY-ZDUSSCGKSA-N 0 0 451.470 4.834 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCc2ccc(Br)cc2F)CC1 ZINC001463271500 1068340358 /nfs/dbraw/zinc/34/03/58/1068340358.db2.gz HOBPNQXXQBSYQX-UHFFFAOYSA-N 0 0 457.137 4.707 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2F)c2cc(OC)ccc21 ZINC001463270993 1068340585 /nfs/dbraw/zinc/34/05/85/1068340585.db2.gz CKNPJXVSIFGSLF-QHCPKHFHSA-N 0 0 452.505 4.899 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCC2(OC)CCCCCC2)c1 ZINC001463274579 1068340772 /nfs/dbraw/zinc/34/07/72/1068340772.db2.gz RQMQENZTDWEESQ-UHFFFAOYSA-N 0 0 456.608 4.895 20 0 JJADRN Cc1ccc2cccc(S(=O)(=O)NCc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2n1 ZINC001463273739 1068340842 /nfs/dbraw/zinc/34/08/42/1068340842.db2.gz GOGRVAWWRKRGBA-KRWDZBQOSA-N 0 0 455.580 4.607 20 0 JJADRN CCc1cc(S(=O)(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c(C)cc1OC ZINC001463272485 1068341125 /nfs/dbraw/zinc/34/11/25/1068341125.db2.gz CDGKQMSYZRCGJP-UHFFFAOYSA-N 0 0 452.787 4.884 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)Oc1cc(F)cc(Br)c1 ZINC001463277431 1068342046 /nfs/dbraw/zinc/34/20/46/1068342046.db2.gz SKUABKDVBFMURK-UHFFFAOYSA-N 0 0 454.111 4.517 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c(OCCC(C)C)c1 ZINC001463278413 1068342118 /nfs/dbraw/zinc/34/21/18/1068342118.db2.gz GHDHZULMBPZBHX-UHFFFAOYSA-N 0 0 450.910 4.966 20 0 JJADRN COc1ccccc1C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(C)C ZINC001463279182 1068342805 /nfs/dbraw/zinc/34/28/05/1068342805.db2.gz MRLLVNPFHNHXQN-HNNXBMFYSA-N 0 0 451.894 4.793 20 0 JJADRN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC001463280151 1068342979 /nfs/dbraw/zinc/34/29/79/1068342979.db2.gz NQGHAOKQEHDSAY-VOQZNFBZSA-N 0 0 456.608 4.659 20 0 JJADRN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC001463280141 1068343140 /nfs/dbraw/zinc/34/31/40/1068343140.db2.gz NQGHAOKQEHDSAY-MTNREXPMSA-N 0 0 456.608 4.659 20 0 JJADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CCS2 ZINC001463280264 1068343239 /nfs/dbraw/zinc/34/32/39/1068343239.db2.gz NVWTUJCPJNMVKI-RKRRMPDFSA-N 0 0 459.995 4.866 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)s1 ZINC001463281548 1068343318 /nfs/dbraw/zinc/34/33/18/1068343318.db2.gz FGTVPMIGDRLMOP-JTQLQIEISA-N 0 0 456.998 4.660 20 0 JJADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccnc1Sc1ccc(C)c(C)c1)CCS2 ZINC001463284365 1068343965 /nfs/dbraw/zinc/34/39/65/1068343965.db2.gz RGHDKICWHBOARG-RKDDFOCISA-N 0 0 456.633 4.797 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccnc1Sc1ccc(C)c(C)c1)CCS2 ZINC001463284345 1068343984 /nfs/dbraw/zinc/34/39/84/1068343984.db2.gz RGHDKICWHBOARG-JZGPVCMCSA-N 0 0 456.633 4.797 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCc4ccccc4[C@@H]3C(C)C)cc2c1C ZINC001463285549 1068344232 /nfs/dbraw/zinc/34/42/32/1068344232.db2.gz HVPLTECHALQMSI-FQEVSTJZSA-N 0 0 458.605 4.726 20 0 JJADRN O=C(Cc1csc(-c2cccnc2)n1)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001463288477 1068345282 /nfs/dbraw/zinc/34/52/82/1068345282.db2.gz JWFXZOUNLBTPMN-UHFFFAOYSA-N 0 0 450.467 4.937 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001463292456 1068346274 /nfs/dbraw/zinc/34/62/74/1068346274.db2.gz QHVXIMBWFREWPY-IBGZPJMESA-N 0 0 450.580 4.660 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(S(=O)(=O)c2c(C)cc(Cl)cc2C)CC1 ZINC001463291598 1068346378 /nfs/dbraw/zinc/34/63/78/1068346378.db2.gz CIABNXSPCVHZJD-UHFFFAOYSA-N 0 0 455.045 4.724 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001463291420 1068346562 /nfs/dbraw/zinc/34/65/62/1068346562.db2.gz URHGWSSDKCOSNF-NRFANRHFSA-N 0 0 458.436 4.714 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(OCC(F)(F)F)c1 ZINC001463292701 1068347144 /nfs/dbraw/zinc/34/71/44/1068347144.db2.gz BCAJMDJNLJOKRH-UHFFFAOYSA-N 0 0 459.820 4.669 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001546137829 1068347243 /nfs/dbraw/zinc/34/72/43/1068347243.db2.gz GFYLGKKJLAACQP-UHFFFAOYSA-N 0 0 457.571 4.637 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC001463294026 1068347561 /nfs/dbraw/zinc/34/75/61/1068347561.db2.gz MCNDSOPFXOIJCD-HNNXBMFYSA-N 0 0 453.029 4.836 20 0 JJADRN C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1nc2ccccc2s1 ZINC001463299073 1068349030 /nfs/dbraw/zinc/34/90/30/1068349030.db2.gz KETQNQDTGHBIEF-SNVBAGLBSA-N 0 0 450.891 4.930 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2CC)cc1 ZINC001463299640 1068349446 /nfs/dbraw/zinc/34/94/46/1068349446.db2.gz SZDMBFHXRXCEED-UHFFFAOYSA-N 0 0 456.384 4.911 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2ccc(C)cc2OCC(F)(F)F)c(Cl)c1Cl ZINC001463299783 1068349612 /nfs/dbraw/zinc/34/96/12/1068349612.db2.gz YUXICVCWXDDMMP-UHFFFAOYSA-N 0 0 458.285 4.730 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccc(Br)cc1 ZINC001463304352 1068350302 /nfs/dbraw/zinc/35/03/02/1068350302.db2.gz BGVBGIJYLOLWET-AYHJJNSGSA-N 0 0 453.377 4.996 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001463305040 1068350526 /nfs/dbraw/zinc/35/05/26/1068350526.db2.gz CYLPOZHIMXRLBE-ZDUSSCGKSA-N 0 0 458.930 4.721 20 0 JJADRN COc1ccc(Br)cc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001463303897 1068350552 /nfs/dbraw/zinc/35/05/52/1068350552.db2.gz VDMKQOJTOMWZRN-UHFFFAOYSA-N 0 0 459.576 4.896 20 0 JJADRN CC(C)(C)OC1CCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 ZINC001463307388 1068350969 /nfs/dbraw/zinc/35/09/69/1068350969.db2.gz IAQRPNCZHXCVPS-UHFFFAOYSA-N 0 0 459.431 4.541 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 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COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)Cc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463359976 1068370762 /nfs/dbraw/zinc/37/07/62/1068370762.db2.gz RPUKCSWKYAKAPW-CMTYHFORSA-N 0 0 457.574 4.630 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc(F)c1Cl ZINC001463359781 1068370829 /nfs/dbraw/zinc/37/08/29/1068370829.db2.gz WYDUGYUOXYPTNT-GOSISDBHSA-N 0 0 450.894 4.545 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2c(F)cc(F)cc2OC)cc1OC ZINC001463361038 1068371461 /nfs/dbraw/zinc/37/14/61/1068371461.db2.gz YVMUYSRFDSNGJP-UHFFFAOYSA-N 0 0 455.523 4.514 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC001463362910 1068372016 /nfs/dbraw/zinc/37/20/16/1068372016.db2.gz OWPMXJSXPHGSOY-CQSZACIVSA-N 0 0 452.523 4.608 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001463363348 1068372315 /nfs/dbraw/zinc/37/23/15/1068372315.db2.gz SFPPAVFHAFAZCA-UHFFFAOYSA-N 0 0 451.395 4.667 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N(Cc1cccs1)Cc1ccncc1 ZINC001463364927 1068372866 /nfs/dbraw/zinc/37/28/66/1068372866.db2.gz JHGRLCGHTMHTFI-QGZVFWFLSA-N 0 0 456.365 4.560 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1)C[C@H](C)C2 ZINC001463364521 1068373000 /nfs/dbraw/zinc/37/30/00/1068373000.db2.gz VRSGCTZESDZMNS-HIFRSBDPSA-N 0 0 457.489 4.788 20 0 JJADRN CCOC(=O)c1cn(CC)nc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC001463364326 1068373147 /nfs/dbraw/zinc/37/31/47/1068373147.db2.gz BROZWPPNWFTATM-UHFFFAOYSA-N 0 0 457.943 4.694 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2cccc(F)c2)s1 ZINC001463366198 1068373709 /nfs/dbraw/zinc/37/37/09/1068373709.db2.gz GIYQULFAPIWXGN-HXUWFJFHSA-N 0 0 450.539 4.753 20 0 JJADRN CC(C)c1c(C(=O)N=[S@@](C)(=O)c2ccccc2F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001463369819 1068374401 /nfs/dbraw/zinc/37/44/01/1068374401.db2.gz MPTFHAVHUJWIIA-HKBQPEDESA-N 0 0 454.449 4.846 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001463372625 1068375056 /nfs/dbraw/zinc/37/50/56/1068375056.db2.gz DUFODQJHSNZBHC-BVZFJXPGSA-N 0 0 473.017 4.591 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C2 ZINC001463371044 1068375245 /nfs/dbraw/zinc/37/52/45/1068375245.db2.gz IXZUDHWAFDDQBJ-AZGAKELHSA-N 0 0 456.586 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001463377716 1068377191 /nfs/dbraw/zinc/37/71/91/1068377191.db2.gz XTDNVTNIYKGUGM-NYHFZMIOSA-N 0 0 465.381 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC001463377069 1068377337 /nfs/dbraw/zinc/37/73/37/1068377337.db2.gz UTVOKJSOQFSGAD-DYXJYMTDSA-N 0 0 454.489 4.595 20 0 JJADRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463380749 1068378065 /nfs/dbraw/zinc/37/80/65/1068378065.db2.gz GPZNEUUHNOOUKS-RBZFPXEDSA-N 0 0 452.345 4.532 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)c2cccc(Cl)c2)cc1 ZINC001463379773 1068378156 /nfs/dbraw/zinc/37/81/56/1068378156.db2.gz BFQYJKQKYLWFTQ-SFHVURJKSA-N 0 0 454.379 4.502 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)c2cccc(Cl)c2)cc1 ZINC001463379764 1068378172 /nfs/dbraw/zinc/37/81/72/1068378172.db2.gz BFQYJKQKYLWFTQ-GOSISDBHSA-N 0 0 454.379 4.502 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)CCC2Cc3ccccc3C2)c2ccccc2OC)cc1 ZINC001463382944 1068379280 /nfs/dbraw/zinc/37/92/80/1068379280.db2.gz MZIIWIPFKRCSIM-SANMLTNESA-N 0 0 451.588 4.518 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001463386005 1068380159 /nfs/dbraw/zinc/38/01/59/1068380159.db2.gz CCSOXFNBYNMVSI-SUMWQHHRSA-N 0 0 450.354 4.976 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC001463385838 1068380218 /nfs/dbraw/zinc/38/02/18/1068380218.db2.gz AITQRMVDQFWSDO-JXFKEZNVSA-N 0 0 453.988 4.536 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001463386658 1068380238 /nfs/dbraw/zinc/38/02/38/1068380238.db2.gz PZCWRBZIUHWDEK-AWEZNQCLSA-N 0 0 451.466 4.555 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)C(=O)c1ccc2c(c1)CCC2)C(F)(F)F ZINC001463387447 1068380674 /nfs/dbraw/zinc/38/06/74/1068380674.db2.gz BERYSKBAOBEKAB-OAQYLSRUSA-N 0 0 455.480 4.623 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463387527 1068380715 /nfs/dbraw/zinc/38/07/15/1068380715.db2.gz JGMJXLNTBBJDPY-MFKMUULPSA-N 0 0 450.807 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)n1 ZINC001463389468 1068381408 /nfs/dbraw/zinc/38/14/08/1068381408.db2.gz JDTZGGLTCYZJSO-SCOAYWHSSA-N 0 0 457.600 4.955 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1cnc(F)c(F)c1 ZINC001463391730 1068382483 /nfs/dbraw/zinc/38/24/83/1068382483.db2.gz IKKNJCUVJUNTLQ-LLVKDONJSA-N 0 0 458.515 4.998 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001463393938 1068382546 /nfs/dbraw/zinc/38/25/46/1068382546.db2.gz LFKNQJWRTUCLND-CJAUYULYSA-N 0 0 459.587 4.687 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3Cl)C2)cc1 ZINC001463395063 1068383013 /nfs/dbraw/zinc/38/30/13/1068383013.db2.gz LXQUOPBXALEYSY-QGZVFWFLSA-N 0 0 457.821 4.700 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC001463396158 1068383256 /nfs/dbraw/zinc/38/32/56/1068383256.db2.gz NHGLOALCVGCTBI-ZJSXRUAMSA-N 0 0 453.560 4.632 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(CC)c1 ZINC001463395799 1068383332 /nfs/dbraw/zinc/38/33/32/1068383332.db2.gz RZECUBFNMHTWGZ-UHFFFAOYSA-N 0 0 454.558 4.904 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396810 1068383532 /nfs/dbraw/zinc/38/35/32/1068383532.db2.gz QAYKNWLIZMTVDO-IBGZPJMESA-N 0 0 453.486 4.628 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC001463401027 1068384858 /nfs/dbraw/zinc/38/48/58/1068384858.db2.gz SBSCFSKIQBRGPY-ZCYQVOJMSA-N 0 0 455.551 4.904 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC3CCCC3)cc2)c(Br)c1 ZINC001463407964 1068386919 /nfs/dbraw/zinc/38/69/19/1068386919.db2.gz CYCDONGNNIZWIG-CQSZACIVSA-N 0 0 454.386 4.819 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2c(Br)ccc(C)c21 ZINC001463409117 1068387502 /nfs/dbraw/zinc/38/75/02/1068387502.db2.gz FOVAOXZSDHXNIK-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463411446 1068388489 /nfs/dbraw/zinc/38/84/89/1068388489.db2.gz NGKAGVBXNOEFFZ-FQEVSTJZSA-N 0 0 453.963 4.809 20 0 JJADRN Cc1ccc(Br)c2c1N(S(=O)(=O)c1ccc(Br)s1)CCC2 ZINC001463411527 1068388640 /nfs/dbraw/zinc/38/86/40/1068388640.db2.gz OVYCJOIHWUVBDY-UHFFFAOYSA-N 0 0 451.205 4.723 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2c(F)cc(F)cc2F)cc1OC ZINC001463410953 1068388865 /nfs/dbraw/zinc/38/88/65/1068388865.db2.gz KHVJHQLFEIVEDZ-KUHUBIRLSA-N 0 0 457.514 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)c2csc(-c3cccs3)n2)n1 ZINC001463412659 1068389042 /nfs/dbraw/zinc/38/90/42/1068389042.db2.gz GTSZXAFBPZNWHW-AWEZNQCLSA-N 0 0 457.581 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)CO[C@@H]2CCCc3ccccc32)n1 ZINC001463412669 1068389313 /nfs/dbraw/zinc/38/93/13/1068389313.db2.gz GUBFJYJAJYWNHD-WOJBJXKFSA-N 0 0 452.555 4.581 20 0 JJADRN COc1cccc(/C=C\c2cc(C(=O)N[C@H]3CCOC3)c3cc(Br)ccc3n2)c1 ZINC001463412906 1068389852 /nfs/dbraw/zinc/38/98/52/1068389852.db2.gz SPDUKEGXSPIQTL-YEODSOHDSA-N 0 0 453.336 4.695 20 0 JJADRN CSc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC001463414794 1068390358 /nfs/dbraw/zinc/39/03/58/1068390358.db2.gz VZUQWAPKYDNASY-LLVKDONJSA-N 0 0 451.828 4.926 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001463415536 1068390563 /nfs/dbraw/zinc/39/05/63/1068390563.db2.gz ZFFUCDLQNRARHF-WJPUGNRLSA-N 0 0 452.414 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)COc2cccc3c2OC(C)(C)C3)C1 ZINC001463415079 1068390660 /nfs/dbraw/zinc/39/06/60/1068390660.db2.gz ZPCDODQXDUEILG-SANMLTNESA-N 0 0 458.599 4.561 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001463415654 1068390799 /nfs/dbraw/zinc/39/07/99/1068390799.db2.gz XVMNFZFDHZTQSQ-JTQLQIEISA-N 0 0 457.276 4.709 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(CC(F)(F)F)cc1 ZINC001463415683 1068391119 /nfs/dbraw/zinc/39/11/19/1068391119.db2.gz YAIFNOKCXHKGNN-ZDUSSCGKSA-N 0 0 453.313 4.655 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(CC(F)(F)F)cc1 ZINC001463415681 1068391216 /nfs/dbraw/zinc/39/12/16/1068391216.db2.gz YAIFNOKCXHKGNN-CYBMUJFWSA-N 0 0 453.313 4.655 20 0 JJADRN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c2cccnc12 ZINC001463418870 1068391545 /nfs/dbraw/zinc/39/15/45/1068391545.db2.gz PPERNDCEIWMMNR-UHFFFAOYSA-N 0 0 457.404 4.762 20 0 JJADRN O=C(NCc1cccc(OC(F)(F)F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001463418938 1068391890 /nfs/dbraw/zinc/39/18/90/1068391890.db2.gz UFODPFMQCWCXED-UHFFFAOYSA-N 0 0 459.461 4.517 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546138938 1068392717 /nfs/dbraw/zinc/39/27/17/1068392717.db2.gz SEEMHYMYXLGBEH-WIYYLYMNSA-N 0 0 468.646 4.968 20 0 JJADRN CCCOc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)cc1OCCC ZINC001463423721 1068392833 /nfs/dbraw/zinc/39/28/33/1068392833.db2.gz MWWLOXZKRWUKLB-NRFANRHFSA-N 0 0 456.583 4.686 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)cc1 ZINC001463425416 1068393294 /nfs/dbraw/zinc/39/32/94/1068393294.db2.gz SMFVZOFSNYFRBZ-QFIPXVFZSA-N 0 0 454.567 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)CCCc3cccc(C(F)(F)F)c3)c2C1 ZINC001463428302 1068393632 /nfs/dbraw/zinc/39/36/32/1068393632.db2.gz RDFTVXZALXJTIO-UHFFFAOYSA-N 0 0 453.461 4.581 20 0 JJADRN CN1CCc2c(cccc2S(=O)(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427869 1068393925 /nfs/dbraw/zinc/39/39/25/1068393925.db2.gz SYYPRKURFXFERE-FQEVSTJZSA-N 0 0 458.933 4.776 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001463429860 1068395128 /nfs/dbraw/zinc/39/51/28/1068395128.db2.gz BYCHZNAAJIBOBC-JTQLQIEISA-N 0 0 457.276 4.709 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1cc(Cl)ccc1OC(F)F ZINC001463433619 1068395376 /nfs/dbraw/zinc/39/53/76/1068395376.db2.gz JTQOURZNCCHETE-SNVBAGLBSA-N 0 0 454.720 4.885 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001463431768 1068395631 /nfs/dbraw/zinc/39/56/31/1068395631.db2.gz FSOGMMFTKFSPBX-UHFFFAOYSA-N 0 0 454.633 4.524 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001463434623 1068396240 /nfs/dbraw/zinc/39/62/40/1068396240.db2.gz OSPPBLCYGHLNRS-JTQLQIEISA-N 0 0 457.276 4.709 20 0 JJADRN CN1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434892 1068396293 /nfs/dbraw/zinc/39/62/93/1068396293.db2.gz QOTRURXYNZDZEG-XIKOKIGWSA-N 0 0 451.778 4.757 20 0 JJADRN CN([C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001463435948 1068396800 /nfs/dbraw/zinc/39/68/00/1068396800.db2.gz MPTSDKHGEKPVNV-ICSRJNTNSA-N 0 0 450.482 4.504 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCc3cc(C)c(Br)cc32)cc1OCC ZINC001463438357 1068397785 /nfs/dbraw/zinc/39/77/85/1068397785.db2.gz YPSPEEJXEQHPLK-UHFFFAOYSA-N 0 0 454.386 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC001463438380 1068397843 /nfs/dbraw/zinc/39/78/43/1068397843.db2.gz LMVBHYGQIXPGIG-CQSZACIVSA-N 0 0 451.539 4.855 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccc2c(c1)CCC2 ZINC001463440251 1068398103 /nfs/dbraw/zinc/39/81/03/1068398103.db2.gz ALPVTRDMRODYQD-LLVKDONJSA-N 0 0 459.203 4.740 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001463440496 1068398299 /nfs/dbraw/zinc/39/82/99/1068398299.db2.gz DPOYPSGGJXERFB-GOSISDBHSA-N 0 0 456.608 4.900 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1C[C@H]1Cc1ccccc1 ZINC001463442842 1068398590 /nfs/dbraw/zinc/39/85/90/1068398590.db2.gz ZJIHCKMLOWGGQX-NHCUHLMSSA-N 0 0 452.396 4.919 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001463442850 1068398625 /nfs/dbraw/zinc/39/86/25/1068398625.db2.gz ZJIHCKMLOWGGQX-SFTDATJTSA-N 0 0 452.396 4.919 20 0 JJADRN CC1(CS(=O)(=O)NCCOc2ccc(Br)cc2C(F)(F)F)CCCCC1 ZINC001463442712 1068398810 /nfs/dbraw/zinc/39/88/10/1068398810.db2.gz MIAORIASQZYNMC-UHFFFAOYSA-N 0 0 458.340 4.737 20 0 JJADRN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001463444700 1068399411 /nfs/dbraw/zinc/39/94/11/1068399411.db2.gz IQNQQKXWPYZBLB-LJQANCHMSA-N 0 0 453.894 4.857 20 0 JJADRN O=C(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001463446939 1068399799 /nfs/dbraw/zinc/39/97/99/1068399799.db2.gz QPALOUCESYILJB-UHFFFAOYSA-N 0 0 451.395 4.528 20 0 JJADRN O=S(=O)(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Br)c1 ZINC001463447372 1068399859 /nfs/dbraw/zinc/39/98/59/1068399859.db2.gz RJOKLFGTWBLAOL-UHFFFAOYSA-N 0 0 457.802 4.747 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccc1Cl)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001463448672 1068400363 /nfs/dbraw/zinc/40/03/63/1068400363.db2.gz ORUMCFVHUXZEOT-OXJNMPFZSA-N 0 0 457.901 4.589 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)N3CCC4(CCC[C@H]4CNC(=O)OC(C)(C)C)CC3)c2)n1 ZINC001463449150 1068400384 /nfs/dbraw/zinc/40/03/84/1068400384.db2.gz CXWFWWZVHPTLLZ-NRFANRHFSA-N 0 0 452.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)n2)C1 ZINC001463451911 1068401715 /nfs/dbraw/zinc/40/17/15/1068401715.db2.gz GSNNDZTYGYLFDT-INIZCTEOSA-N 0 0 452.486 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3cc(Cl)c(F)cc3Cl)n2)C1 ZINC001463451814 1068401742 /nfs/dbraw/zinc/40/17/42/1068401742.db2.gz FYJAYSFKEXNTHO-LLVKDONJSA-N 0 0 455.317 4.899 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(I)cc1)CCC2 ZINC001463452127 1068402033 /nfs/dbraw/zinc/40/20/33/1068402033.db2.gz RURSHPXXVMRKEA-LJQANCHMSA-N 0 0 455.361 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CC1 ZINC001463452476 1068402189 /nfs/dbraw/zinc/40/21/89/1068402189.db2.gz IWFKTHWOMSVRQV-KXBFYZLASA-N 0 0 454.480 4.992 20 0 JJADRN Cc1ccc2cccc(C(=O)N(CC(F)(F)F)C3CCN(C(=O)OC(C)(C)C)CC3)c2n1 ZINC001463453449 1068402963 /nfs/dbraw/zinc/40/29/63/1068402963.db2.gz NYHARESTSBPYBX-UHFFFAOYSA-N 0 0 451.489 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 ZINC001463453656 1068403433 /nfs/dbraw/zinc/40/34/33/1068403433.db2.gz QARZXPOOHSKDAG-ALCCZGGFSA-N 0 0 451.489 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)Cc2c(F)cccc2Cl)CC1 ZINC001463453947 1068403558 /nfs/dbraw/zinc/40/35/58/1068403558.db2.gz QLYVCMIOXRVHPN-UHFFFAOYSA-N 0 0 452.876 4.812 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1F)N1C(=O)c2ccccc2C1=O ZINC001463456197 1068404975 /nfs/dbraw/zinc/40/49/75/1068404975.db2.gz YOTVVZNKXYZBNL-INIZCTEOSA-N 0 0 453.695 4.501 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC001463457658 1068406047 /nfs/dbraw/zinc/40/60/47/1068406047.db2.gz GQFTUSSYDCKSOV-UNMCSNQZSA-N 0 0 457.592 4.799 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(C)ccc2NC(=O)OC(C)(C)C)cc1Cl ZINC001463459811 1068406749 /nfs/dbraw/zinc/40/67/49/1068406749.db2.gz LJMCLAXFIMBWBP-UHFFFAOYSA-N 0 0 454.932 4.722 20 0 JJADRN Cc1ncc(NC(=O)c2ccc(I)cc2Cl)cc1Br ZINC001463463767 1068408301 /nfs/dbraw/zinc/40/83/01/1068408301.db2.gz WXMLRLSVXVOAPS-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN O=S(=O)(c1cccc(OC(F)F)c1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001463464870 1068410111 /nfs/dbraw/zinc/41/01/11/1068410111.db2.gz DHKDCDKVQKKKAE-INIZCTEOSA-N 0 0 450.276 4.715 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC001463467402 1068410899 /nfs/dbraw/zinc/41/08/99/1068410899.db2.gz DABWGUBADHYLRV-IBGZPJMESA-N 0 0 456.873 4.896 20 0 JJADRN CC(C)(C)Oc1ncccc1OS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463469131 1068411572 /nfs/dbraw/zinc/41/15/72/1068411572.db2.gz XVPMGJUFJMHPCA-UHFFFAOYSA-N 0 0 454.264 4.808 20 0 JJADRN CC(C)c1cccc(O[C@@H](C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c2ccccc2)c1 ZINC001463469725 1068411606 /nfs/dbraw/zinc/41/16/06/1068411606.db2.gz UITAQSAUZFEBCS-VOQZNFBZSA-N 0 0 462.512 4.846 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H]3c4ccccc4CCC[C@H]3C)cc2c1C ZINC001463470723 1068412315 /nfs/dbraw/zinc/41/23/15/1068412315.db2.gz JULPTUBMZXSPLM-VLIAUNLRSA-N 0 0 458.605 4.773 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H]3c4ccccc4CCC[C@H]3C)cc2c1C ZINC001463470719 1068412346 /nfs/dbraw/zinc/41/23/46/1068412346.db2.gz JULPTUBMZXSPLM-JLTOFOAXSA-N 0 0 458.605 4.773 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c2ncccc12 ZINC001463471114 1068413054 /nfs/dbraw/zinc/41/30/54/1068413054.db2.gz KRZCRNPKZZMKES-HXUWFJFHSA-N 0 0 453.951 4.554 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OC(F)F)c(F)c1 ZINC001463475638 1068414360 /nfs/dbraw/zinc/41/43/60/1068414360.db2.gz XBPIWUDXMOLJJN-GOSISDBHSA-N 0 0 456.873 4.738 20 0 JJADRN O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463478361 1068415031 /nfs/dbraw/zinc/41/50/31/1068415031.db2.gz UMJJDINUVPXKNF-IINYFYTJSA-N 0 0 452.812 4.543 20 0 JJADRN Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)c(Cl)n1 ZINC001463478287 1068415044 /nfs/dbraw/zinc/41/50/44/1068415044.db2.gz LMUWVIPPUDLWLR-UHFFFAOYSA-N 0 0 457.777 4.531 20 0 JJADRN CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463481170 1068415745 /nfs/dbraw/zinc/41/57/45/1068415745.db2.gz AZALVDGCQCWWEN-YLJYHZDGSA-N 0 0 452.403 4.837 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463481142 1068415809 /nfs/dbraw/zinc/41/58/09/1068415809.db2.gz AZALVDGCQCWWEN-FXAWDEMLSA-N 0 0 452.403 4.837 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c(F)c1F ZINC001463486013 1068416315 /nfs/dbraw/zinc/41/63/15/1068416315.db2.gz NKXDOGYPKYOZMT-MRXNPFEDSA-N 0 0 451.470 4.768 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c(F)c1F ZINC001463486012 1068416335 /nfs/dbraw/zinc/41/63/35/1068416335.db2.gz NKXDOGYPKYOZMT-INIZCTEOSA-N 0 0 451.470 4.768 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2c(OCC)ccc3ccccc32)cnc1C(F)F ZINC001463491313 1068417648 /nfs/dbraw/zinc/41/76/48/1068417648.db2.gz DZRVNHVFLXRPNA-UHFFFAOYSA-N 0 0 451.447 4.516 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463490028 1068417716 /nfs/dbraw/zinc/41/77/16/1068417716.db2.gz CBNQRSOELLMILZ-OFNKIYASSA-N 0 0 457.636 4.931 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463492474 1068418501 /nfs/dbraw/zinc/41/85/01/1068418501.db2.gz GNALZVVBTAIQPL-AWEZNQCLSA-N 0 0 458.805 4.818 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)c3ccccc32)cc1Br ZINC001463493699 1068418518 /nfs/dbraw/zinc/41/85/18/1068418518.db2.gz TXVJUOOGCSUCHI-OAHLLOKOSA-N 0 0 454.386 4.567 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)c3ccccc32)cc1Br ZINC001463493696 1068418531 /nfs/dbraw/zinc/41/85/31/1068418531.db2.gz TXVJUOOGCSUCHI-HNNXBMFYSA-N 0 0 454.386 4.567 20 0 JJADRN Cc1nccnc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001463492607 1068418584 /nfs/dbraw/zinc/41/85/84/1068418584.db2.gz ZWYNJDUYCPRYLA-UHFFFAOYSA-N 0 0 451.383 4.737 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)c2cccc(Cl)c2O1 ZINC001463495677 1068419229 /nfs/dbraw/zinc/41/92/29/1068419229.db2.gz CXWBIDSBCGGFGG-NSHDSACASA-N 0 0 451.850 4.614 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)c2cccc(Cl)c2O1 ZINC001463500551 1068420523 /nfs/dbraw/zinc/42/05/23/1068420523.db2.gz SKXPSHSRDFUASA-ZDUSSCGKSA-N 0 0 455.363 4.635 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncc(Cl)cc21 ZINC001463503667 1068421008 /nfs/dbraw/zinc/42/10/08/1068421008.db2.gz JDPLXDUOWNSZSD-CYBMUJFWSA-N 0 0 457.783 4.817 20 0 JJADRN CCCOc1ccc(CNS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)c(C)c1 ZINC001463502752 1068421215 /nfs/dbraw/zinc/42/12/15/1068421215.db2.gz UMOWQVBQXANWKB-UHFFFAOYSA-N 0 0 451.386 4.517 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1cc(F)ccc1N(C)C ZINC001463505560 1068421887 /nfs/dbraw/zinc/42/18/87/1068421887.db2.gz YVKYEYPGIDSEAK-LLVKDONJSA-N 0 0 458.169 4.837 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N(C)C ZINC001463505578 1068422552 /nfs/dbraw/zinc/42/25/52/1068422552.db2.gz ZICBQXRFTRAJRV-AOMKIAJQSA-N 0 0 457.615 4.582 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)c3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001463509673 1068423965 /nfs/dbraw/zinc/42/39/65/1068423965.db2.gz BHPNWZKXVWVGNI-KPZWWZAWSA-N 0 0 455.725 4.576 20 0 JJADRN CCc1ccc([C@H]2CN(S(=O)(=O)c3cc(Br)c(Cl)cc3C)CCO2)cc1 ZINC001463511907 1068424486 /nfs/dbraw/zinc/42/44/86/1068424486.db2.gz KXLQEDDVXRUTGP-GOSISDBHSA-N 0 0 458.805 4.736 20 0 JJADRN O=S(=O)(NCc1ccc(C2CCC2)cc1)c1cc(Br)cc(Br)c1 ZINC001463513102 1068424620 /nfs/dbraw/zinc/42/46/20/1068424620.db2.gz NVUJRULUTPBYSM-UHFFFAOYSA-N 0 0 459.203 4.958 20 0 JJADRN O=C(N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463513985 1068425268 /nfs/dbraw/zinc/42/52/68/1068425268.db2.gz UKVRJBABCLBOHU-APWZRJJASA-N 0 0 456.258 4.881 20 0 JJADRN O=C(Oc1cc(Br)ccc1Br)c1ccc(OCC(F)(F)F)nc1 ZINC001463515773 1068425910 /nfs/dbraw/zinc/42/59/10/1068425910.db2.gz WXELWTIYUFOJDC-UHFFFAOYSA-N 0 0 455.024 4.767 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463519566 1068426577 /nfs/dbraw/zinc/42/65/77/1068426577.db2.gz LPVBXCLGGXWBOJ-FQEVSTJZSA-N 0 0 451.972 4.923 20 0 JJADRN O=S(=O)(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc(C(F)(F)F)cn1 ZINC001463528690 1068428753 /nfs/dbraw/zinc/42/87/53/1068428753.db2.gz RWMREIYKXWIRRN-UHFFFAOYSA-N 0 0 458.811 4.783 20 0 JJADRN CC(C)C[C@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)c1ccc(Cl)cc1 ZINC001463528264 1068428827 /nfs/dbraw/zinc/42/88/27/1068428827.db2.gz LLNZERVJCZUGJJ-PXNSSMCTSA-N 0 0 455.986 4.692 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC001463532948 1068430875 /nfs/dbraw/zinc/43/08/75/1068430875.db2.gz OHYXTRDVHXRZCM-LLVKDONJSA-N 0 0 452.292 4.559 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001463534150 1068431463 /nfs/dbraw/zinc/43/14/63/1068431463.db2.gz SLWBVKVBXIUVKZ-UHFFFAOYSA-N 0 0 450.988 4.686 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1cc(F)cc(Br)c1 ZINC001463536173 1068432105 /nfs/dbraw/zinc/43/21/05/1068432105.db2.gz LHKMBFYNZQUOKJ-AWEZNQCLSA-N 0 0 456.255 4.758 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C2CC2)cc1 ZINC001463539039 1068433825 /nfs/dbraw/zinc/43/38/25/1068433825.db2.gz VSNUNWOMNCPAFM-FPOVZHCZSA-N 0 0 450.482 4.712 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC001463541009 1068435143 /nfs/dbraw/zinc/43/51/43/1068435143.db2.gz FQHPVQCQMPMAJZ-VSKRKVRLSA-N 0 0 450.645 4.702 20 0 JJADRN CCOc1ccc(CN(C)C(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1OC ZINC001463541344 1068435152 /nfs/dbraw/zinc/43/51/52/1068435152.db2.gz QFKOMLPDHREEJX-HSZRJFAPSA-N 0 0 451.485 4.721 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2cc(Br)ccc2Br)c(Cl)c1 ZINC001463541092 1068435186 /nfs/dbraw/zinc/43/51/86/1068435186.db2.gz XPEVYSLSEVOWCH-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC001463541012 1068435336 /nfs/dbraw/zinc/43/53/36/1068435336.db2.gz FQHPVQCQMPMAJZ-YPAWHYETSA-N 0 0 450.645 4.702 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1 ZINC001463547369 1068437352 /nfs/dbraw/zinc/43/73/52/1068437352.db2.gz UWLMXIJPBKRTJH-KRWDZBQOSA-N 0 0 452.429 4.878 20 0 JJADRN O=S(=O)(CCc1c(F)cccc1F)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001463547657 1068438118 /nfs/dbraw/zinc/43/81/18/1068438118.db2.gz XEIBTKPZXBDBBF-GOSISDBHSA-N 0 0 451.482 4.646 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC001463562449 1068444402 /nfs/dbraw/zinc/44/44/02/1068444402.db2.gz SBLFHMGRFWTLDQ-HXUWFJFHSA-N 0 0 453.999 4.866 20 0 JJADRN CC1(C)CCC[C@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)O1 ZINC001463563556 1068445008 /nfs/dbraw/zinc/44/50/08/1068445008.db2.gz JQNUKAPQGHXDMF-HUUCEWRRSA-N 0 0 458.340 4.710 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566165 1068447383 /nfs/dbraw/zinc/44/73/83/1068447383.db2.gz XNGWNXBUEFBGDJ-MGPUTAFESA-N 0 0 450.988 4.983 20 0 JJADRN COc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1C ZINC001463566157 1068447526 /nfs/dbraw/zinc/44/75/26/1068447526.db2.gz XMAPAFUTPDXZNM-UHFFFAOYSA-N 0 0 458.967 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CC1 ZINC001463566972 1068448066 /nfs/dbraw/zinc/44/80/66/1068448066.db2.gz FMSWODPYVCFSHN-QHCPKHFHSA-N 0 0 456.608 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1 ZINC001463566968 1068448139 /nfs/dbraw/zinc/44/81/39/1068448139.db2.gz FMSWODPYVCFSHN-HSZRJFAPSA-N 0 0 456.608 4.660 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1Br ZINC001463567701 1068448845 /nfs/dbraw/zinc/44/88/45/1068448845.db2.gz PJHWKTSQULRLSN-GOSISDBHSA-N 0 0 451.336 4.513 20 0 JJADRN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001463567617 1068448939 /nfs/dbraw/zinc/44/89/39/1068448939.db2.gz AZRDSGTXKQHNBJ-UHFFFAOYSA-N 0 0 450.739 4.681 20 0 JJADRN C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001463568446 1068449017 /nfs/dbraw/zinc/44/90/17/1068449017.db2.gz NEPKUWOGUGNWRN-HNNXBMFYSA-N 0 0 456.530 4.549 20 0 JJADRN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001463568454 1068449036 /nfs/dbraw/zinc/44/90/36/1068449036.db2.gz NEPKUWOGUGNWRN-OAHLLOKOSA-N 0 0 456.530 4.549 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463570381 1068450431 /nfs/dbraw/zinc/45/04/31/1068450431.db2.gz OPANZMOYMXFTEJ-UHFFFAOYSA-N 0 0 457.821 4.667 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463570664 1068450467 /nfs/dbraw/zinc/45/04/67/1068450467.db2.gz PUJDVVFNTMVMPX-UHFFFAOYSA-N 0 0 452.805 4.532 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001463572192 1068451895 /nfs/dbraw/zinc/45/18/95/1068451895.db2.gz YOXVCUMHDHWNHB-KRWDZBQOSA-N 0 0 455.939 4.577 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001463575089 1068452562 /nfs/dbraw/zinc/45/25/62/1068452562.db2.gz XWBWNYSRRFZQMQ-UHFFFAOYSA-N 0 0 458.971 4.547 20 0 JJADRN Cc1cc(CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)ccc1-c1ccccc1 ZINC001463579352 1068453744 /nfs/dbraw/zinc/45/37/44/1068453744.db2.gz WMAPMURUVCQNIM-UHFFFAOYSA-N 0 0 452.551 4.516 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCCO1 ZINC001463581886 1068455224 /nfs/dbraw/zinc/45/52/24/1068455224.db2.gz KMPBLSBACRWTBV-OAHLLOKOSA-N 0 0 458.349 4.570 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c(C)c1C ZINC001463582318 1068455299 /nfs/dbraw/zinc/45/52/99/1068455299.db2.gz WEDOSMBOTATUEM-UHFFFAOYSA-N 0 0 452.414 4.817 20 0 JJADRN COc1ccc(CN(CC2CCC2)S(=O)(=O)c2cc(F)ccc2OC(C)C)c(OC)c1 ZINC001463581830 1068455381 /nfs/dbraw/zinc/45/53/81/1068455381.db2.gz LBLOFTYFISYZIA-UHFFFAOYSA-N 0 0 451.560 4.621 20 0 JJADRN Cc1ccc(NC(=O)C2CC(C)(C)C2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC001463584021 1068456917 /nfs/dbraw/zinc/45/69/17/1068456917.db2.gz UUMGHOJYTTUSKY-UHFFFAOYSA-N 0 0 451.386 4.933 20 0 JJADRN CC(=O)N1CCc2cc(S(=O)(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)c(Cl)cc21 ZINC001463588778 1068458210 /nfs/dbraw/zinc/45/82/10/1068458210.db2.gz JPKOJCBNTOQJTR-UHFFFAOYSA-N 0 0 459.782 4.523 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463595584 1068460163 /nfs/dbraw/zinc/46/01/63/1068460163.db2.gz MNCJQDLTESPPAO-STQMWFEESA-N 0 0 457.294 4.701 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c(C2CCCC2)n1 ZINC001463600970 1068460852 /nfs/dbraw/zinc/46/08/52/1068460852.db2.gz YMNNMOBRDHSKNS-UHFFFAOYSA-N 0 0 459.509 4.746 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ccnn1CCc1ccccc1 ZINC001463601029 1068460995 /nfs/dbraw/zinc/46/09/95/1068460995.db2.gz STRWQVNUXDOBHI-IYARVYRRSA-N 0 0 450.391 4.657 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC001463604081 1068462518 /nfs/dbraw/zinc/46/25/18/1068462518.db2.gz MRXSARBQOQGLTO-DEOSSOPVSA-N 0 0 459.030 4.674 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Cl ZINC001463605121 1068463405 /nfs/dbraw/zinc/46/34/05/1068463405.db2.gz ATJZOUHEMBMJPT-OAHLLOKOSA-N 0 0 459.248 4.673 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC001463608303 1068464633 /nfs/dbraw/zinc/46/46/33/1068464633.db2.gz ORKAHFAJJPZIAH-BLLLJJGKSA-N 0 0 453.160 4.871 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c(C)c1C ZINC001463608916 1068464683 /nfs/dbraw/zinc/46/46/83/1068464683.db2.gz YIQALKHPCRLOAM-IBGZPJMESA-N 0 0 451.430 4.548 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1F)c1ccc(Br)cc1 ZINC001463607594 1068464751 /nfs/dbraw/zinc/46/47/51/1068464751.db2.gz HYGXMDFGZSKQGE-MRVPVSSYSA-N 0 0 455.118 4.529 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463612319 1068466117 /nfs/dbraw/zinc/46/61/17/1068466117.db2.gz CYJDULUNENKMMK-SANMLTNESA-N 0 0 458.558 4.710 20 0 JJADRN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1Br ZINC001463611221 1068466266 /nfs/dbraw/zinc/46/62/66/1068466266.db2.gz RBBWNJAQMXYBPU-IBGZPJMESA-N 0 0 450.398 4.997 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001463612795 1068466903 /nfs/dbraw/zinc/46/69/03/1068466903.db2.gz PWRSTPIBXSCPAE-SFHVURJKSA-N 0 0 456.011 4.592 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc21 ZINC001463614877 1068467828 /nfs/dbraw/zinc/46/78/28/1068467828.db2.gz YVJBDBSOXCOING-CYFODOTGSA-N 0 0 453.391 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC001463615005 1068467871 /nfs/dbraw/zinc/46/78/71/1068467871.db2.gz ZJJVCXGDFPTCSF-XZOQPEGZSA-N 0 0 452.576 4.521 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc21 ZINC001463614881 1068467890 /nfs/dbraw/zinc/46/78/90/1068467890.db2.gz YVJBDBSOXCOING-GIJMVEMTSA-N 0 0 453.391 4.688 20 0 JJADRN COCC(=O)Nc1ccc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001463622373 1068470023 /nfs/dbraw/zinc/47/00/23/1068470023.db2.gz SWECYPHLDDYTPK-OAQYLSRUSA-N 0 0 455.555 4.502 20 0 JJADRN COC(=O)c1ccc(Br)c(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c1 ZINC001463623962 1068470820 /nfs/dbraw/zinc/47/08/20/1068470820.db2.gz FANOJZHEJDFCSD-UHFFFAOYSA-N 0 0 458.399 4.825 20 0 JJADRN C[C@H](COCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1 ZINC001463625599 1068471951 /nfs/dbraw/zinc/47/19/51/1068471951.db2.gz JRTVNUVGIKZKAH-QGZVFWFLSA-N 0 0 458.967 4.900 20 0 JJADRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCc2ccccc21 ZINC001463625537 1068472120 /nfs/dbraw/zinc/47/21/20/1068472120.db2.gz JCLDCPWNCOLQDF-MRXNPFEDSA-N 0 0 455.967 4.531 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)ccc1OC ZINC001463626844 1068472815 /nfs/dbraw/zinc/47/28/15/1068472815.db2.gz ZLQSUHBHGPIIFK-OAQYLSRUSA-N 0 0 451.972 4.687 20 0 JJADRN O=C(Cc1ccc2cnccc2c1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463627361 1068473611 /nfs/dbraw/zinc/47/36/11/1068473611.db2.gz RNZAAPSLLXSURO-UHFFFAOYSA-N 0 0 451.935 4.870 20 0 JJADRN CCOc1ccccc1N1CCN(C(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC001463628691 1068474232 /nfs/dbraw/zinc/47/42/32/1068474232.db2.gz ZKPKOQOPVFDIOK-UHFFFAOYSA-N 0 0 451.792 4.783 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)c(Cl)c1 ZINC001463627931 1068474308 /nfs/dbraw/zinc/47/43/08/1068474308.db2.gz XREKHALJNIJNOX-CYBMUJFWSA-N 0 0 453.347 4.807 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1C ZINC001463631063 1068475514 /nfs/dbraw/zinc/47/55/14/1068475514.db2.gz GEGPAWMIIUPOJK-KRWDZBQOSA-N 0 0 458.605 4.704 20 0 JJADRN CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC001463632661 1068476365 /nfs/dbraw/zinc/47/63/65/1068476365.db2.gz NJTIYURCVPKLJA-UHFFFAOYSA-N 0 0 450.406 4.590 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1C ZINC001463634468 1068476815 /nfs/dbraw/zinc/47/68/15/1068476815.db2.gz BBXGOABJJBWHEB-INIZCTEOSA-N 0 0 457.423 4.991 20 0 JJADRN O=S(=O)(CCc1ccc(Cl)cc1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001463640224 1068478269 /nfs/dbraw/zinc/47/82/69/1068478269.db2.gz QJAVNXYAEUETMC-LJQANCHMSA-N 0 0 457.821 4.551 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(Cl)ccnc1Br ZINC001463650336 1068480902 /nfs/dbraw/zinc/48/09/02/1068480902.db2.gz RPQVBBPYFRAXJO-UHFFFAOYSA-N 0 0 451.535 4.515 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-c2ccco2)cc1F ZINC001463653064 1068482384 /nfs/dbraw/zinc/48/23/84/1068482384.db2.gz VKASFFMLTVGWAT-UHFFFAOYSA-N 0 0 454.317 4.725 20 0 JJADRN O=S(=O)(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(F)ccc1Br ZINC001463655666 1068483841 /nfs/dbraw/zinc/48/38/41/1068483841.db2.gz DQVGRVKAJHNEKN-GFCCVEGCSA-N 0 0 455.132 4.697 20 0 JJADRN O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC001463656390 1068484311 /nfs/dbraw/zinc/48/43/11/1068484311.db2.gz ORFYZNGWGKBPGO-GFCCVEGCSA-N 0 0 454.535 4.696 20 0 JJADRN COC(=O)CCc1ccccc1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC001463656343 1068484411 /nfs/dbraw/zinc/48/44/11/1068484411.db2.gz OETSXTVZLSOQRP-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC001463657231 1068485036 /nfs/dbraw/zinc/48/50/36/1068485036.db2.gz RQFBZDNYZODLQT-MAUKXSAKSA-N 0 0 454.361 4.651 20 0 JJADRN Cc1c(S(=O)(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c2ccccc2n1C ZINC001463659687 1068485578 /nfs/dbraw/zinc/48/55/78/1068485578.db2.gz QBYOGOVPQWWHBG-INIZCTEOSA-N 0 0 452.407 4.741 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001463660826 1068485787 /nfs/dbraw/zinc/48/57/87/1068485787.db2.gz LKEQLTVSTYGJHV-UVBSCNOISA-N 0 0 456.605 4.661 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)c(OC)c(C)c3)ccc2C)cc1 ZINC001463662798 1068486992 /nfs/dbraw/zinc/48/69/92/1068486992.db2.gz DBDSPKGICXSZQN-UHFFFAOYSA-N 0 0 454.548 4.682 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c(C)s1 ZINC001463665290 1068488573 /nfs/dbraw/zinc/48/85/73/1068488573.db2.gz GLALHVZIAAFYSH-KRWDZBQOSA-N 0 0 457.459 4.692 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1F)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001463674634 1068490529 /nfs/dbraw/zinc/49/05/29/1068490529.db2.gz PPSREWMDZDEMFL-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN O=S(=O)(NCC1(c2ccccn2)CCC1)c1cc(Cl)c(Cl)cc1Br ZINC001463682491 1068492339 /nfs/dbraw/zinc/49/23/39/1068492339.db2.gz VNFHBSGVDCXRJS-UHFFFAOYSA-N 0 0 450.185 4.551 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c1 ZINC001463682350 1068492424 /nfs/dbraw/zinc/49/24/24/1068492424.db2.gz UGFRRFRRNVKLME-PKOBYXMFSA-N 0 0 457.036 4.875 20 0 JJADRN O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC001463685128 1068493002 /nfs/dbraw/zinc/49/30/02/1068493002.db2.gz 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ZINC001463751701 1068512554 /nfs/dbraw/zinc/51/25/54/1068512554.db2.gz AOOMYUUIXWPKQM-UHFFFAOYSA-N 0 0 453.560 4.893 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001463751591 1068512622 /nfs/dbraw/zinc/51/26/22/1068512622.db2.gz ZXAAEGXVDPEWLS-GBESFXJTSA-N 0 0 472.655 4.585 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3Cl)C2)cc1 ZINC001463753514 1068513012 /nfs/dbraw/zinc/51/30/12/1068513012.db2.gz ZGFFEDYLRQRRKI-HNNXBMFYSA-N 0 0 458.805 4.755 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463754761 1068513445 /nfs/dbraw/zinc/51/34/45/1068513445.db2.gz YQXRLYFXUVRLCY-GJZGRUSLSA-N 0 0 454.976 4.712 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463754758 1068513553 /nfs/dbraw/zinc/51/35/53/1068513553.db2.gz YQXRLYFXUVRLCY-CABCVRRESA-N 0 0 454.976 4.712 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463754762 1068513770 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0 451.331 4.703 20 0 JJADRN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)Cc1ncsc1Br ZINC001463766478 1068517587 /nfs/dbraw/zinc/51/75/87/1068517587.db2.gz RVAMZOAMQWEPIO-MRXNPFEDSA-N 0 0 451.839 4.636 20 0 JJADRN Cc1ccc(S(=O)(=O)NCC(C)(C)c2ccc(Br)cc2Cl)c(Cl)n1 ZINC001463767043 1068517761 /nfs/dbraw/zinc/51/77/61/1068517761.db2.gz OTKACPOCTSQWRG-UHFFFAOYSA-N 0 0 452.201 4.715 20 0 JJADRN C[C@H](OCCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463773004 1068519738 /nfs/dbraw/zinc/51/97/38/1068519738.db2.gz GTEVUEKNEFVRSS-HTAPYJJXSA-N 0 0 451.394 4.651 20 0 JJADRN COc1cccc(/C=C\c2ccc(OS(=O)(=O)C[C@@H](Cc3ccc(F)cc3)OC)cc2)c1 ZINC001463774668 1068521213 /nfs/dbraw/zinc/52/12/13/1068521213.db2.gz JXNNZUBELLHJPS-CVUHLLMESA-N 0 0 456.535 4.971 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001463777453 1068521963 /nfs/dbraw/zinc/52/19/63/1068521963.db2.gz RMHDOCLMTOCLNE-ZWKOTPCHSA-N 0 0 457.036 4.696 20 0 JJADRN Cc1nc2cc(OS(=O)(=O)c3c(Cl)cc(Br)cc3Cl)ccc2n1C ZINC001463782964 1068523219 /nfs/dbraw/zinc/52/32/19/1068523219.db2.gz MURFBAHDHUAQSH-UHFFFAOYSA-N 0 0 450.141 4.719 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cc1 ZINC001463787392 1068524172 /nfs/dbraw/zinc/52/41/72/1068524172.db2.gz RLAJBSIWOFJLBT-NRFANRHFSA-N 0 0 451.032 4.660 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)c1 ZINC001463789076 1068524757 /nfs/dbraw/zinc/52/47/57/1068524757.db2.gz ZTIFEBMZQPEAIC-SFHVURJKSA-N 0 0 458.805 4.851 20 0 JJADRN CC1(C)CN(S(=O)(=O)Cc2noc3ccccc32)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463794191 1068526468 /nfs/dbraw/zinc/52/64/68/1068526468.db2.gz UXAYNMFRDVEWED-LJQANCHMSA-N 0 0 454.470 4.529 20 0 JJADRN C[C@H](CN([C@@H](C)CO)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccccc1 ZINC001463795485 1068527371 /nfs/dbraw/zinc/52/73/71/1068527371.db2.gz GOIGLLNAODOLEQ-UXHICEINSA-N 0 0 457.567 4.580 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(c3ccc(C)cc3C)CCCC2)c1F ZINC001463797860 1068527915 /nfs/dbraw/zinc/52/79/15/1068527915.db2.gz PLEXUPOPQUJPFB-UHFFFAOYSA-N 0 0 453.963 4.673 20 0 JJADRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1 ZINC001463800133 1068528978 /nfs/dbraw/zinc/52/89/78/1068528978.db2.gz JMSWLCGCOLLDCY-UHFFFAOYSA-N 0 0 456.391 4.965 20 0 JJADRN C[C@@H]1C(=O)CC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)C ZINC001463800708 1068529552 /nfs/dbraw/zinc/52/95/52/1068529552.db2.gz MPDAROHSZAJABV-JPYJTQIMSA-N 0 0 454.561 4.840 20 0 JJADRN CC(C)(C)c1ncc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1 ZINC001463800731 1068529688 /nfs/dbraw/zinc/52/96/88/1068529688.db2.gz NAWYKYXVOVZURO-UHFFFAOYSA-N 0 0 450.533 4.600 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463801507 1068530239 /nfs/dbraw/zinc/53/02/39/1068530239.db2.gz QMLQNCIFONMJHI-UHFFFAOYSA-N 0 0 450.533 4.734 20 0 JJADRN CC(C)(C)O[C@@H](C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001463802571 1068530780 /nfs/dbraw/zinc/53/07/80/1068530780.db2.gz WZJIGTGGYUQREK-HHHXNRCGSA-N 0 0 457.618 4.981 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOc1ccccc1 ZINC001463807305 1068531855 /nfs/dbraw/zinc/53/18/55/1068531855.db2.gz RJYKKKITNDMHPU-HSZRJFAPSA-N 0 0 451.567 4.579 20 0 JJADRN Cc1nc(-c2ccc(CCNC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)s2)cs1 ZINC001463805807 1068531913 /nfs/dbraw/zinc/53/19/13/1068531913.db2.gz FXOVVFUIOQPAPO-UHFFFAOYSA-N 0 0 453.605 4.578 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2=O)cc1 ZINC001463807351 1068532286 /nfs/dbraw/zinc/53/22/86/1068532286.db2.gz LASJNZMOQMWHDJ-GOSISDBHSA-N 0 0 453.633 4.844 20 0 JJADRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463816364 1068534536 /nfs/dbraw/zinc/53/45/36/1068534536.db2.gz IGFNHHDWFWRUGH-UHFFFAOYSA-N 0 0 452.274 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNS(=O)(=O)Cc3ccc(Cl)cc3)cccc21 ZINC001463822190 1068535740 /nfs/dbraw/zinc/53/57/40/1068535740.db2.gz TXWFNXFZLHLNHW-UHFFFAOYSA-N 0 0 450.988 4.647 20 0 JJADRN Cc1cccc(S(=O)(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c1Br ZINC001463821005 1068535884 /nfs/dbraw/zinc/53/58/84/1068535884.db2.gz QLZSSWHWWSUZDS-UHFFFAOYSA-N 0 0 453.333 4.606 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1 ZINC001463823680 1068536356 /nfs/dbraw/zinc/53/63/56/1068536356.db2.gz MSAVPNOUGFPXPJ-FQEVSTJZSA-N 0 0 453.446 4.537 20 0 JJADRN Cc1ccc(NC(=O)c2cccc3oc(=O)[nH]c32)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463826191 1068538251 /nfs/dbraw/zinc/53/82/51/1068538251.db2.gz QNGITWYZNONONO-UHFFFAOYSA-N 0 0 457.895 4.548 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001546142035 1068538379 /nfs/dbraw/zinc/53/83/79/1068538379.db2.gz BLXOXRGEFURLCI-RBUKOAKNSA-N 0 0 461.651 4.587 20 0 JJADRN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc(-c2ccc(F)cc2)no1 ZINC001463835727 1068541226 /nfs/dbraw/zinc/54/12/26/1068541226.db2.gz LHDXVLKSYBEBGE-UHFFFAOYSA-N 0 0 455.442 4.673 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC001463837491 1068542337 /nfs/dbraw/zinc/54/23/37/1068542337.db2.gz XWLDCRUYTZRVKD-HSZRJFAPSA-N 0 0 452.576 4.823 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001463840633 1068544172 /nfs/dbraw/zinc/54/41/72/1068544172.db2.gz BBBTVOLMCBAISH-IEBWSBKVSA-N 0 0 468.550 4.936 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC001463841461 1068544890 /nfs/dbraw/zinc/54/48/90/1068544890.db2.gz CLKFKIRKOOTIGF-XMMPIXPASA-N 0 0 452.576 4.800 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cccnc1Oc1ccc(F)cc1 ZINC001463844416 1068545867 /nfs/dbraw/zinc/54/58/67/1068545867.db2.gz OTFSTRPNGSMMFC-QFIPXVFZSA-N 0 0 456.539 4.585 20 0 JJADRN CC1(C)[C@@H](CNS(=O)(=O)c2cc(Br)cc(Br)c2)[C@@H]1c1ccccc1 ZINC001463851843 1068548374 /nfs/dbraw/zinc/54/83/74/1068548374.db2.gz HAGQMBHUOSRTRD-IRXDYDNUSA-N 0 0 473.230 4.930 20 0 JJADRN O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)N(CCCCc1ccccc1)c1ccccc1 ZINC001463852893 1068548442 /nfs/dbraw/zinc/54/84/42/1068548442.db2.gz ALSCCMGLWGCAGX-VWLOTQADSA-N 0 0 457.636 4.822 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001463856790 1068548733 /nfs/dbraw/zinc/54/87/33/1068548733.db2.gz KLYICLVNVRJHKZ-DEOSSOPVSA-N 0 0 451.611 4.697 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)C(C)(C)C1(C)C ZINC001463856718 1068548749 /nfs/dbraw/zinc/54/87/49/1068548749.db2.gz DTEDJQCXBAKYBJ-FQEVSTJZSA-N 0 0 451.611 4.819 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2CCCc3c(Cl)c(C)c(Cl)cc32)cc(F)c1F ZINC001463862869 1068549912 /nfs/dbraw/zinc/54/99/12/1068549912.db2.gz IAZLLKGORSMTTQ-UHFFFAOYSA-N 0 0 450.290 4.508 20 0 JJADRN CCCCCN(CC(=O)N1CCO[C@H](C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463860453 1068549925 /nfs/dbraw/zinc/54/99/25/1068549925.db2.gz SVJOXFIGIRMVJV-HXUWFJFHSA-N 0 0 450.579 4.675 20 0 JJADRN O=S(=O)(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1c(Cl)ccc2ccccc21 ZINC001463868897 1068551553 /nfs/dbraw/zinc/55/15/53/1068551553.db2.gz WDMPYMKLFAXAET-AZUAARDMSA-N 0 0 468.928 4.802 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)S(=O)(=O)c3c(Cl)cc(C)cc3Br)C2)c1 ZINC001463870984 1068551875 /nfs/dbraw/zinc/55/18/75/1068551875.db2.gz MVULAOGJHAVIDX-SHTZXODSSA-N 0 0 458.805 4.986 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001463871467 1068551963 /nfs/dbraw/zinc/55/19/63/1068551963.db2.gz IMMQXTUOWBAUNO-ZTFGCOKTSA-N 0 0 450.988 4.558 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NCCc3ccccn3)cc2)cc1OCc1ccncc1 ZINC001463871729 1068552024 /nfs/dbraw/zinc/55/20/24/1068552024.db2.gz DBDWRMGFBCQPEM-UHFFFAOYSA-N 0 0 454.530 4.971 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H]2C)CCOCC1 ZINC001546142401 1068553593 /nfs/dbraw/zinc/55/35/93/1068553593.db2.gz JKFQOMCVGBWRFH-QHAWAJNXSA-N 0 0 475.678 4.834 20 0 JJADRN Cc1csc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1Br ZINC001463879688 1068554514 /nfs/dbraw/zinc/55/45/14/1068554514.db2.gz IKLDBPHNDXKVDW-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001463887266 1068556038 /nfs/dbraw/zinc/55/60/38/1068556038.db2.gz HLKBZUXOZXHVIY-UHFFFAOYSA-N 0 0 459.859 4.719 20 0 JJADRN CCc1cccc(S(=O)(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 ZINC001463887225 1068556224 /nfs/dbraw/zinc/55/62/24/1068556224.db2.gz MDERPTXTACCLIO-FQRUVTKNSA-N 0 0 453.604 4.613 20 0 JJADRN COc1ccc([C@@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)CC2(C)CCCCC2)cc1 ZINC001463888361 1068556587 /nfs/dbraw/zinc/55/65/87/1068556587.db2.gz PNRSAGGBWFGATE-OFVILXPXSA-N 0 0 459.652 4.962 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 ZINC001463891022 1068556710 /nfs/dbraw/zinc/55/67/10/1068556710.db2.gz VOJAHKZKAAZUNU-UHFFFAOYSA-N 0 0 452.319 4.805 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C ZINC001463891444 1068557110 /nfs/dbraw/zinc/55/71/10/1068557110.db2.gz QLQIUJJRSPPSEX-HNNXBMFYSA-N 0 0 452.473 4.632 20 0 JJADRN CC(C)NC(=O)Nc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)cc1 ZINC001463893030 1068557671 /nfs/dbraw/zinc/55/76/71/1068557671.db2.gz DTUWZQXNGLGHSQ-UHFFFAOYSA-N 0 0 452.536 4.864 20 0 JJADRN CN(CCCN(C)S(=O)(=O)c1cccc(Sc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001463895866 1068558357 /nfs/dbraw/zinc/55/83/57/1068558357.db2.gz QTLOSLXAEVRGHE-UHFFFAOYSA-N 0 0 450.626 4.715 20 0 JJADRN Cn1c2ccccc2c2cc(S(=O)(=O)N3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)ccc21 ZINC001463896486 1068558863 /nfs/dbraw/zinc/55/88/63/1068558863.db2.gz WNDNVLDJLGQUTQ-SFHVURJKSA-N 0 0 456.608 4.854 20 0 JJADRN O=C(CCOc1ccccc1Br)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001463898162 1068559349 /nfs/dbraw/zinc/55/93/49/1068559349.db2.gz GOVHUEJCVJXUPZ-UHFFFAOYSA-N 0 0 451.792 4.606 20 0 JJADRN CCCCc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)c2cccs2)cc1 ZINC001463908469 1068562362 /nfs/dbraw/zinc/56/23/62/1068562362.db2.gz ANKBFPHXNWTPSD-HSZRJFAPSA-N 0 0 456.633 4.908 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1 ZINC001463919390 1068566221 /nfs/dbraw/zinc/56/62/21/1068566221.db2.gz HRHXNOUPWKDVEK-MRXNPFEDSA-N 0 0 458.805 4.897 20 0 JJADRN O=C(c1ccc(OC(F)F)c(Br)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001463922061 1068566539 /nfs/dbraw/zinc/56/65/39/1068566539.db2.gz ZERISSFHYMJTSL-UHFFFAOYSA-N 0 0 457.290 4.538 20 0 JJADRN CCN(CCOc1ccccc1C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463921483 1068566633 /nfs/dbraw/zinc/56/66/33/1068566633.db2.gz SYEQWEATJLVRAQ-UHFFFAOYSA-N 0 0 450.757 4.640 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]1Cc1ccccc1Br ZINC001463922805 1068566787 /nfs/dbraw/zinc/56/67/87/1068566787.db2.gz VYRIHFGLVBFHOS-LBPRGKRZSA-N 0 0 450.185 4.547 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1 ZINC001463924423 1068567082 /nfs/dbraw/zinc/56/70/82/1068567082.db2.gz KXHIUTXURFYDRP-UHFFFAOYSA-N 0 0 457.349 4.963 20 0 JJADRN C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001463925602 1068567177 /nfs/dbraw/zinc/56/71/77/1068567177.db2.gz DIIXLETWKNHELE-PXNSSMCTSA-N 0 0 458.462 4.771 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(Cl)c1 ZINC001463927830 1068567630 /nfs/dbraw/zinc/56/76/30/1068567630.db2.gz NQKKZOBWDHERFB-UHFFFAOYSA-N 0 0 455.902 4.601 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C=O)cc1)CC2 ZINC001463926802 1068567647 /nfs/dbraw/zinc/56/76/47/1068567647.db2.gz ZPBNYJMGXXRQSF-FYSMJZIKSA-N 0 0 451.544 4.519 20 0 JJADRN O=S(=O)(c1ccc2c(c1)CCCO2)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001463927988 1068567675 /nfs/dbraw/zinc/56/76/75/1068567675.db2.gz XZJKDLJLDLYUSW-IBGZPJMESA-N 0 0 450.398 4.560 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c1 ZINC001463928203 1068567719 /nfs/dbraw/zinc/56/77/19/1068567719.db2.gz ZQHBCACPCBLJNH-IBGZPJMESA-N 0 0 450.398 4.828 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C=O)cc1)CC2 ZINC001463926807 1068567732 /nfs/dbraw/zinc/56/77/32/1068567732.db2.gz ZPBNYJMGXXRQSF-GYCJOSAFSA-N 0 0 451.544 4.519 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)cc1C ZINC001463929320 1068568020 /nfs/dbraw/zinc/56/80/20/1068568020.db2.gz DHNKPYLGMZEFRR-OAQYLSRUSA-N 0 0 459.546 4.718 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)cc1C ZINC001463929318 1068568100 /nfs/dbraw/zinc/56/81/00/1068568100.db2.gz DHNKPYLGMZEFRR-NRFANRHFSA-N 0 0 459.546 4.718 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)c2)cc1 ZINC001463929146 1068568248 /nfs/dbraw/zinc/56/82/48/1068568248.db2.gz RBUDQJZHNLMYTK-UHFFFAOYSA-N 0 0 455.518 4.982 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCC1 ZINC001463930639 1068568690 /nfs/dbraw/zinc/56/86/90/1068568690.db2.gz YHAWDOCIDAHPEQ-UHFFFAOYSA-N 0 0 456.543 4.625 20 0 JJADRN COc1ccc([C@H](CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463932569 1068569071 /nfs/dbraw/zinc/56/90/71/1068569071.db2.gz PCUULASFLLSVKY-UTKZUKDTSA-N 0 0 451.567 4.585 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001463932777 1068569500 /nfs/dbraw/zinc/56/95/00/1068569500.db2.gz UWHDGCUWYMHKAW-QZTJIDSGSA-N 0 0 473.035 4.633 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCCCCC1 ZINC001463934053 1068569616 /nfs/dbraw/zinc/56/96/16/1068569616.db2.gz GKQIFNRNGNGYFZ-HXUWFJFHSA-N 0 0 459.587 4.608 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Br ZINC001463934640 1068570074 /nfs/dbraw/zinc/57/00/74/1068570074.db2.gz YKDOCPSCNLRHKN-UHFFFAOYSA-N 0 0 453.185 4.978 20 0 JJADRN CCc1ccc(S(=O)(=O)NCc2c(F)c(F)c(Br)c(F)c2F)cc1CC ZINC001463935995 1068570250 /nfs/dbraw/zinc/57/02/50/1068570250.db2.gz WCUHIPUCXZULAL-UHFFFAOYSA-N 0 0 454.283 4.609 20 0 JJADRN CN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)cc1 ZINC001463938039 1068570463 /nfs/dbraw/zinc/57/04/63/1068570463.db2.gz YUYZWTHDAQBPKW-UHFFFAOYSA-N 0 0 458.949 4.825 20 0 JJADRN CN(CC(=O)Nc1ccccc1Cl)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC001463943550 1068571853 /nfs/dbraw/zinc/57/18/53/1068571853.db2.gz WOLJVQHFTILNPV-UHFFFAOYSA-N 0 0 451.748 4.553 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)N1CCN(c3ccccc3Cl)CC1)N2C(=O)OC(C)(C)C ZINC001463947440 1068572251 /nfs/dbraw/zinc/57/22/51/1068572251.db2.gz FIMGPPOOZGJRBJ-JOCHJYFZSA-N 0 0 455.986 4.663 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCSc2ccccc21 ZINC001463948895 1068572573 /nfs/dbraw/zinc/57/25/73/1068572573.db2.gz HGJQJXWLEWKBNJ-NFBGKYEXSA-N 0 0 458.992 4.772 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC001463951505 1068573271 /nfs/dbraw/zinc/57/32/71/1068573271.db2.gz VRQOUCBHVPSACZ-UHFFFAOYSA-N 0 0 454.562 4.665 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1cccnc1Br ZINC001463952664 1068573999 /nfs/dbraw/zinc/57/39/99/1068573999.db2.gz FTZXKKABGVGVKR-UHFFFAOYSA-N 0 0 459.171 4.571 20 0 JJADRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 ZINC001463955570 1068574768 /nfs/dbraw/zinc/57/47/68/1068574768.db2.gz HOQDGRDECBWNKM-CJAUYULYSA-N 0 0 457.530 4.525 20 0 JJADRN O=C(CCc1cc(Cl)cs1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463954866 1068574800 /nfs/dbraw/zinc/57/48/00/1068574800.db2.gz YIRHKCFGBZDGEU-SXGWCWSVSA-N 0 0 455.388 4.840 20 0 JJADRN COCCN(Cc1ccccc1)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001463954737 1068574843 /nfs/dbraw/zinc/57/48/43/1068574843.db2.gz FGHRQGCGNNJZAO-QFIPXVFZSA-N 0 0 452.551 4.544 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC001463959662 1068575237 /nfs/dbraw/zinc/57/52/37/1068575237.db2.gz AWAGWPZVFSJHAM-DLBZAZTESA-N 0 0 473.488 4.591 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC001463956382 1068575255 /nfs/dbraw/zinc/57/52/55/1068575255.db2.gz ROPGBXFKLSWDJA-CQSZACIVSA-N 0 0 453.789 4.728 20 0 JJADRN O=S(=O)(NCc1ccc(COc2cccc(F)c2)cc1)c1ccc(Br)s1 ZINC001463961651 1068575791 /nfs/dbraw/zinc/57/57/91/1068575791.db2.gz RZGPTWXFUHFCPZ-UHFFFAOYSA-N 0 0 456.358 4.707 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001463962222 1068575842 /nfs/dbraw/zinc/57/58/42/1068575842.db2.gz ZQEULEDXOXTVCF-UHFFFAOYSA-N 0 0 453.292 4.611 20 0 JJADRN CC(C)Cc1ccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1 ZINC001463965287 1068576504 /nfs/dbraw/zinc/57/65/04/1068576504.db2.gz XPTYDCWWNJXYHF-SANMLTNESA-N 0 0 452.620 4.830 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(CCO)Cc2ccccc2)CCC1 ZINC001546143015 1068576641 /nfs/dbraw/zinc/57/66/41/1068576641.db2.gz WXEAZEMBYMKXSW-UHFFFAOYSA-N 0 0 497.684 4.972 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001463968296 1068577048 /nfs/dbraw/zinc/57/70/48/1068577048.db2.gz BAPVCVVZARBPIT-FENQTLIPSA-N 0 0 453.391 4.972 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC001463972444 1068578773 /nfs/dbraw/zinc/57/87/73/1068578773.db2.gz BIFLJFYMOMFNSO-UHFFFAOYSA-N 0 0 454.851 4.514 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1cc(F)ccc1F ZINC001463972828 1068579122 /nfs/dbraw/zinc/57/91/22/1068579122.db2.gz ZEZPBZVRKYIDGC-APSNUPSMSA-N 0 0 457.285 4.738 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C ZINC001463989248 1068581791 /nfs/dbraw/zinc/58/17/91/1068581791.db2.gz ZYGDASGSOJGXFG-UHFFFAOYSA-N 0 0 458.584 4.777 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC001463989140 1068581813 /nfs/dbraw/zinc/58/18/13/1068581813.db2.gz KSSMDDFXLVINNW-QGZVFWFLSA-N 0 0 452.363 4.643 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(C)c(Br)c2)c2ccccc2)cc1 ZINC001463987229 1068581937 /nfs/dbraw/zinc/58/19/37/1068581937.db2.gz UWQDXJTXMPQULQ-OAQYLSRUSA-N 0 0 453.336 4.876 20 0 JJADRN COc1ccc(-c2cc(NC(=O)CNC(=O)c3ccccc3C(F)(F)F)ccc2OC)cc1 ZINC001463990371 1068582492 /nfs/dbraw/zinc/58/24/92/1068582492.db2.gz JHUFXXJYULMOSN-UHFFFAOYSA-N 0 0 458.436 4.758 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)ccc2OC)cc1 ZINC001463991931 1068582598 /nfs/dbraw/zinc/58/25/98/1068582598.db2.gz SSJZTVJUXOLGKS-IBGZPJMESA-N 0 0 451.567 4.674 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001463993676 1068583049 /nfs/dbraw/zinc/58/30/49/1068583049.db2.gz BLHCUHIHZZLCNO-DEOSSOPVSA-N 0 0 454.954 4.778 20 0 JJADRN O=S(=O)(N[C@@H](C1CC1)C1CCOCC1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463993063 1068583075 /nfs/dbraw/zinc/58/30/75/1068583075.db2.gz CMWPMYPTQCXQGI-NRFANRHFSA-N 0 0 450.398 4.600 20 0 JJADRN O=S(=O)(N[C@H](C1CC1)C1CCOCC1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463993067 1068583223 /nfs/dbraw/zinc/58/32/23/1068583223.db2.gz CMWPMYPTQCXQGI-OAQYLSRUSA-N 0 0 450.398 4.600 20 0 JJADRN Cc1nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c(-c2ccccc2)s1 ZINC001463998438 1068584158 /nfs/dbraw/zinc/58/41/58/1068584158.db2.gz DSXYHDAWAXTTMN-IPMKNSEASA-N 0 0 455.649 4.791 20 0 JJADRN COc1cc(CNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)ccc1OCc1ccccc1 ZINC001463998403 1068584315 /nfs/dbraw/zinc/58/43/15/1068584315.db2.gz VUTBFZNGLJRDRX-DEOSSOPVSA-N 0 0 458.480 4.784 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998890 1068584336 /nfs/dbraw/zinc/58/43/36/1068584336.db2.gz ORSWZQWGMOVRFV-VWLOTQADSA-N 0 0 459.590 4.682 20 0 JJADRN Cc1ccccc1[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C1CCC(C)CC1 ZINC001464000649 1068584837 /nfs/dbraw/zinc/58/48/37/1068584837.db2.gz PJOGMIJLFZEMOS-MXJXRJBTSA-N 0 0 458.624 4.708 20 0 JJADRN O=C(/C=C\c1ccc[nH]1)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001464004324 1068586005 /nfs/dbraw/zinc/58/60/05/1068586005.db2.gz MCIFJNTYGWIZBQ-TWGQIWQCSA-N 0 0 456.409 4.863 20 0 JJADRN O=C(NCc1cccnc1N1CCOCC1)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC001464005547 1068586507 /nfs/dbraw/zinc/58/65/07/1068586507.db2.gz NEHOCGLITDOLQJ-QFIPXVFZSA-N 0 0 453.995 4.721 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001464007920 1068587202 /nfs/dbraw/zinc/58/72/02/1068587202.db2.gz MGDAMHSNSZOBTA-CABCVRRESA-N 0 0 458.407 4.758 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001464009164 1068587649 /nfs/dbraw/zinc/58/76/49/1068587649.db2.gz XEZNMZCYWIKIQY-JOCHJYFZSA-N 0 0 451.567 4.641 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001464009564 1068587742 /nfs/dbraw/zinc/58/77/42/1068587742.db2.gz YZNMAKNNICWFMA-FQEVSTJZSA-N 0 0 451.958 4.557 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@@H]1COc2ccccc2O1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464027134 1068592834 /nfs/dbraw/zinc/59/28/34/1068592834.db2.gz JGODTQNEYBCCGP-YDHSSHFGSA-N 0 0 453.560 4.647 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC001464027783 1068592878 /nfs/dbraw/zinc/59/28/78/1068592878.db2.gz PGCXEGTYCAKKBS-QGZVFWFLSA-N 0 0 453.995 4.744 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC001464029119 1068592922 /nfs/dbraw/zinc/59/29/22/1068592922.db2.gz VGAOEEQRLSLQBZ-ZJUUUORDSA-N 0 0 473.216 4.545 20 0 JJADRN CCSc1ccc(CC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC001464028637 1068593021 /nfs/dbraw/zinc/59/30/21/1068593021.db2.gz UFVPQMFBMFFQFG-IBGZPJMESA-N 0 0 450.608 4.605 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001464029982 1068593401 /nfs/dbraw/zinc/59/34/01/1068593401.db2.gz PVQMTHBUDJGBNV-UHFFFAOYSA-N 0 0 455.407 4.613 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCCN1C(=O)OC(C)(C)C ZINC001464031753 1068594062 /nfs/dbraw/zinc/59/40/62/1068594062.db2.gz JCHZGZQIFYXYOA-XMMPIXPASA-N 0 0 456.612 4.824 20 0 JJADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)cc(C(C)C)nc21 ZINC001464033027 1068594666 /nfs/dbraw/zinc/59/46/66/1068594666.db2.gz MTNFJQIBPVPSQH-UHFFFAOYSA-N 0 0 458.946 4.581 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC001464033582 1068594687 /nfs/dbraw/zinc/59/46/87/1068594687.db2.gz JAHMVXLLDWLESE-HXUWFJFHSA-N 0 0 458.502 4.553 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(NC(=O)C2CCC2)c1)C1CCCCCC1 ZINC001464035234 1068595049 /nfs/dbraw/zinc/59/50/49/1068595049.db2.gz UYECDHYCBJGZKR-JOCHJYFZSA-N 0 0 457.615 4.905 20 0 JJADRN O=S(=O)(C1=Cc2cc(Cl)ccc2OC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001464036761 1068595756 /nfs/dbraw/zinc/59/57/56/1068595756.db2.gz YHBMEPFVRWFOPS-UHFFFAOYSA-N 0 0 459.782 4.532 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)CCCc4cc(F)ccc4F)CC3)n2)cc1 ZINC001464035927 1068595860 /nfs/dbraw/zinc/59/58/60/1068595860.db2.gz FUNUJPISZBGNRX-GOSISDBHSA-N 0 0 454.521 4.551 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C[C@H]2O ZINC001464040569 1068596859 /nfs/dbraw/zinc/59/68/59/1068596859.db2.gz IEDQYNHFQFKGBJ-HXUWFJFHSA-N 0 0 455.595 4.753 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001464039805 1068596952 /nfs/dbraw/zinc/59/69/52/1068596952.db2.gz TUIPMFIZOPDLKL-SGXKBVARSA-N 0 0 464.425 4.661 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@@H](C)Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC001464039883 1068596981 /nfs/dbraw/zinc/59/69/81/1068596981.db2.gz WVJDLGRWJBJBMP-RBUKOAKNSA-N 0 0 452.986 4.782 20 0 JJADRN C[C@@H](Oc1cccc(F)c1)C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464039967 1068597000 /nfs/dbraw/zinc/59/70/00/1068597000.db2.gz FNEUFOWBHZBSNV-GOSISDBHSA-N 0 0 457.929 4.847 20 0 JJADRN O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@@H](CO)Cc1ccco1 ZINC001464041813 1068597353 /nfs/dbraw/zinc/59/73/53/1068597353.db2.gz IWDHWAYMRYOHAH-FQEVSTJZSA-N 0 0 450.966 4.836 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)N1CCC([C@@H](O)c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001464042707 1068598079 /nfs/dbraw/zinc/59/80/79/1068598079.db2.gz MXZHOCFEHDZAND-RPWUZVMVSA-N 0 0 450.579 4.633 20 0 JJADRN CCn1cccc1C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001464044371 1068598584 /nfs/dbraw/zinc/59/85/84/1068598584.db2.gz XBBHYPDGCITUOR-UHFFFAOYSA-N 0 0 458.425 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)C1 ZINC001464044788 1068598730 /nfs/dbraw/zinc/59/87/30/1068598730.db2.gz CONGWGKYHRLJCE-SFHVURJKSA-N 0 0 452.555 4.700 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccccc2Cl)c1 ZINC001464051878 1068600546 /nfs/dbraw/zinc/60/05/46/1068600546.db2.gz LAPUJZVYNGTWDJ-IBGZPJMESA-N 0 0 458.805 4.897 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2sc(C)cc2Br)c2ccccc2)cc1 ZINC001464056823 1068601717 /nfs/dbraw/zinc/60/17/17/1068601717.db2.gz KXPZUQWEYFADBO-GOSISDBHSA-N 0 0 452.395 4.896 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC001464054781 1068601753 /nfs/dbraw/zinc/60/17/53/1068601753.db2.gz XWFVGYYLWVNXOX-NHCUHLMSSA-N 0 0 480.577 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC001464055378 1068601846 /nfs/dbraw/zinc/60/18/46/1068601846.db2.gz OLLRXEKOMXJKRP-HZPDHXFCSA-N 0 0 475.007 4.612 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cc(Br)ccc2F)c2ccccc2)cc1 ZINC001464062060 1068602997 /nfs/dbraw/zinc/60/29/97/1068602997.db2.gz WJNZCGLERFHYDC-FQEVSTJZSA-N 0 0 450.329 4.665 20 0 JJADRN CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001464061081 1068603012 /nfs/dbraw/zinc/60/30/12/1068603012.db2.gz ARIIBXYITSLTKJ-UHFFFAOYSA-N 0 0 452.576 4.775 20 0 JJADRN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC001464065564 1068603577 /nfs/dbraw/zinc/60/35/77/1068603577.db2.gz IOWAKKJSXCCWND-GOSISDBHSA-N 0 0 451.592 4.954 20 0 JJADRN O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)cc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001464066731 1068603633 /nfs/dbraw/zinc/60/36/33/1068603633.db2.gz QWFOZPNVWQUUNN-YADARESESA-N 0 0 457.979 4.919 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001464066962 1068604190 /nfs/dbraw/zinc/60/41/90/1068604190.db2.gz RXFDKCGOYSLUMB-QHCPKHFHSA-N 0 0 459.608 4.741 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001464066953 1068604227 /nfs/dbraw/zinc/60/42/27/1068604227.db2.gz RXFDKCGOYSLUMB-HSZRJFAPSA-N 0 0 459.608 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C[C@H]1[C@H]1CCCO1 ZINC001464069325 1068604931 /nfs/dbraw/zinc/60/49/31/1068604931.db2.gz ZOIZBGVCRRHRCP-YUXAGFNASA-N 0 0 458.555 4.596 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1Cl ZINC001464074872 1068606474 /nfs/dbraw/zinc/60/64/74/1068606474.db2.gz UXGZTIRJNUWSQL-HNNXBMFYSA-N 0 0 457.958 4.909 20 0 JJADRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001464074341 1068606487 /nfs/dbraw/zinc/60/64/87/1068606487.db2.gz QNVWARVLZDGRIG-NSHDSACASA-N 0 0 454.246 4.761 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H](C)c4cccc(Cl)c4)CC3)n2)cc1 ZINC001464076720 1068607051 /nfs/dbraw/zinc/60/70/51/1068607051.db2.gz QQPLUSOVPQGMRS-LJQANCHMSA-N 0 0 452.986 4.579 20 0 JJADRN CC/C(=C\C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1)c1ccc(OC)cc1 ZINC001464077687 1068607661 /nfs/dbraw/zinc/60/76/61/1068607661.db2.gz FZRVDMKIDCJOPO-QCUIPMNBSA-N 0 0 458.484 4.956 20 0 JJADRN Cc1ccccc1NC1(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1 ZINC001464079421 1068608352 /nfs/dbraw/zinc/60/83/52/1068608352.db2.gz JUCATFYMDOTVGQ-UHFFFAOYSA-N 0 0 459.356 4.739 20 0 JJADRN COc1cccc([C@@]2(C)CCN(S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)C2)c1 ZINC001464085300 1068608970 /nfs/dbraw/zinc/60/89/70/1068608970.db2.gz UAPBHRODZRDXFN-VWLOTQADSA-N 0 0 455.551 4.766 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001464086164 1068609031 /nfs/dbraw/zinc/60/90/31/1068609031.db2.gz AYERRVXFZOTFSP-AZKPVJIOSA-N 0 0 456.464 4.586 20 0 JJADRN CCN(Cc1cccc(NC(=O)C(C)(C)NC(=O)Nc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001464086163 1068609087 /nfs/dbraw/zinc/60/90/87/1068609087.db2.gz AYDBRRVIQYYATD-UHFFFAOYSA-N 0 0 454.571 4.982 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C(C)C)C3)cc2)n1 ZINC001464085319 1068609140 /nfs/dbraw/zinc/60/91/40/1068609140.db2.gz UEAGFUAZAVQQNN-QHCPKHFHSA-N 0 0 455.649 4.650 20 0 JJADRN COc1cccc([C@]2(C)CCN(S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)C2)c1 ZINC001464085292 1068609215 /nfs/dbraw/zinc/60/92/15/1068609215.db2.gz UAPBHRODZRDXFN-RUZDIDTESA-N 0 0 455.551 4.766 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)Oc1cc(F)c(Br)cc1C ZINC001464085964 1068609241 /nfs/dbraw/zinc/60/92/41/1068609241.db2.gz FCIXCGPJQHMTIJ-UHFFFAOYSA-N 0 0 453.285 4.604 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@H](O)CC[C@H](C)CC)c2)c1C(F)(F)F ZINC001464086773 1068610324 /nfs/dbraw/zinc/61/03/24/1068610324.db2.gz DTRHLIUOVUQAKY-RHSMWYFYSA-N 0 0 455.477 4.584 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccnc(Cl)c3F)c2)c1C(F)(F)F ZINC001464089466 1068610924 /nfs/dbraw/zinc/61/09/24/1068610924.db2.gz SSUMPFAKDMICOK-UHFFFAOYSA-N 0 0 456.783 4.508 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Oc2cccc(C3CCCCC3)c2)c(C)c1NS(C)(=O)=O ZINC001464089164 1068610981 /nfs/dbraw/zinc/61/09/81/1068610981.db2.gz CJFVALFMCGNBKW-UHFFFAOYSA-N 0 0 451.610 4.799 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1C(C)(C)C ZINC001464090796 1068611608 /nfs/dbraw/zinc/61/16/08/1068611608.db2.gz NGACNWQPLQEGFZ-OAQYLSRUSA-N 0 0 453.551 4.813 20 0 JJADRN COc1nsc(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1Br ZINC001464094426 1068612755 /nfs/dbraw/zinc/61/27/55/1068612755.db2.gz YRLOANQSGJLHSF-ZMONIFLSSA-N 0 0 455.218 4.554 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 ZINC001464094413 1068612798 /nfs/dbraw/zinc/61/27/98/1068612798.db2.gz VHZZCNCKCHXEKN-YFXJRYMSSA-N 0 0 458.624 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2cccc(Oc3cnccn3)c2)co1 ZINC001464097280 1068614217 /nfs/dbraw/zinc/61/42/17/1068614217.db2.gz XLQBGSJORUNBIR-SFHVURJKSA-N 0 0 451.483 4.581 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)cc1)C1CCOCC1 ZINC001464098365 1068614600 /nfs/dbraw/zinc/61/46/00/1068614600.db2.gz VJPQTTBSEVJDOM-XSFVSMFZSA-N 0 0 450.432 4.906 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1Cl ZINC001464110966 1068618124 /nfs/dbraw/zinc/61/81/24/1068618124.db2.gz QONNSILFZYTABN-CXAGYDPISA-N 0 0 454.297 4.823 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1Br ZINC001464111484 1068618773 /nfs/dbraw/zinc/61/87/73/1068618773.db2.gz NVPWYVKODRPETM-ORAYPTAESA-N 0 0 474.804 4.652 20 0 JJADRN Cc1cnc2c(cccc2S(=O)(=O)Oc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001464112519 1068619493 /nfs/dbraw/zinc/61/94/93/1068619493.db2.gz KRXZYZVLDHVGAL-UHFFFAOYSA-N 0 0 454.548 4.604 20 0 JJADRN O=S(=O)(N[C@H](C(F)F)C1CCCCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464117588 1068620606 /nfs/dbraw/zinc/62/06/06/1068620606.db2.gz RAGZCGVDLWDZEF-ZDUSSCGKSA-N 0 0 450.267 4.960 20 0 JJADRN COc1cc(N)c(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1Br ZINC001464122231 1068622464 /nfs/dbraw/zinc/62/24/64/1068622464.db2.gz LYUMIENMLZGSOJ-CYBMUJFWSA-N 0 0 451.361 4.574 20 0 JJADRN O=S(=O)(N[C@H]1CCCCc2cc(Br)ccc21)c1c[nH]c2ncc(Cl)cc12 ZINC001464127005 1068624997 /nfs/dbraw/zinc/62/49/97/1068624997.db2.gz VNTQFZPMTQZVGO-INIZCTEOSA-N 0 0 454.777 4.725 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Br ZINC001464127440 1068625527 /nfs/dbraw/zinc/62/55/27/1068625527.db2.gz HHMDBAASYKDFEW-NUEKZKHPSA-N 0 0 455.393 4.718 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@H](C)C3)c2)n1 ZINC001464128136 1068625981 /nfs/dbraw/zinc/62/59/81/1068625981.db2.gz CTSBNLSOYMQHBF-KDURUIRLSA-N 0 0 457.578 4.768 20 0 JJADRN COc1ccc([C@H](C)NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)cc1Br ZINC001464129186 1068626536 /nfs/dbraw/zinc/62/65/36/1068626536.db2.gz NTTTURNVXIHDKK-KNXALSJPSA-N 0 0 451.327 4.734 20 0 JJADRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC001464131006 1068627306 /nfs/dbraw/zinc/62/73/06/1068627306.db2.gz OKZOWLXRITZAMZ-KBPBESRZSA-N 0 0 455.356 4.696 20 0 JJADRN C[C@@H](C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001464135903 1068629848 /nfs/dbraw/zinc/62/98/48/1068629848.db2.gz OBVRWKDBEPPYGY-LJQANCHMSA-N 0 0 450.579 4.879 20 0 JJADRN CCC[C@@H](C)N(C)C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC001464137223 1068630656 /nfs/dbraw/zinc/63/06/56/1068630656.db2.gz SNANLJRXKYDZBJ-QGZVFWFLSA-N 0 0 453.004 4.581 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC001464138528 1068630694 /nfs/dbraw/zinc/63/06/94/1068630694.db2.gz SGQDRVBLWAWTFS-FQEVSTJZSA-N 0 0 450.023 4.821 20 0 JJADRN CC(C)[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001464142997 1068632301 /nfs/dbraw/zinc/63/23/01/1068632301.db2.gz CUHZGRGGRAHNPH-IAGOWNOFSA-N 0 0 455.420 4.761 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C3CCCCC3)C2)c(Br)c1 ZINC001464143293 1068633014 /nfs/dbraw/zinc/63/30/14/1068633014.db2.gz GFQHKXBFWSYDTO-KRWDZBQOSA-N 0 0 458.418 4.607 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)Oc1cc(CO)cc(C(F)(F)F)c1 ZINC001464143996 1068633043 /nfs/dbraw/zinc/63/30/43/1068633043.db2.gz XLNKGDYVNSHVEB-UHFFFAOYSA-N 0 0 459.667 4.522 20 0 JJADRN Cc1ccc(Br)c(CS(=O)(=O)N2Cc3ccc(C)c(Br)c3C2)c1 ZINC001464144423 1068633143 /nfs/dbraw/zinc/63/31/43/1068633143.db2.gz DVPXTLKGPUGNRP-UHFFFAOYSA-N 0 0 459.203 4.674 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2cc(OC)cc(Br)c2N)c2ccccc2)cc1 ZINC001464144192 1068633191 /nfs/dbraw/zinc/63/31/91/1068633191.db2.gz ZAMYIBUHSLCDAX-JOCHJYFZSA-N 0 0 455.352 4.958 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001464146557 1068633703 /nfs/dbraw/zinc/63/37/03/1068633703.db2.gz LQIKBFGISNWZSH-ZDUSSCGKSA-N 0 0 454.283 4.907 20 0 JJADRN COc1ccc2c(c1)N(S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)CCC2 ZINC001464147347 1068633900 /nfs/dbraw/zinc/63/39/00/1068633900.db2.gz PMOCBYPVJNHJQW-UHFFFAOYSA-N 0 0 451.169 4.906 20 0 JJADRN CN(Cc1csc2ccccc12)C(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC001464150138 1068634506 /nfs/dbraw/zinc/63/45/06/1068634506.db2.gz FRHYSHWTPJABAX-UHFFFAOYSA-N 0 0 458.624 4.792 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCCSc1ccc(C)cc1 ZINC001464152468 1068635069 /nfs/dbraw/zinc/63/50/69/1068635069.db2.gz NIRGZXHNARIKOF-VWLOTQADSA-N 0 0 456.608 4.578 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1sccc1Br ZINC001464152689 1068635117 /nfs/dbraw/zinc/63/51/17/1068635117.db2.gz TWPFUVLPDUSNQZ-LBPRGKRZSA-N 0 0 453.221 4.573 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001464153600 1068635147 /nfs/dbraw/zinc/63/51/47/1068635147.db2.gz ATQYWWBOAVPYNJ-HSZRJFAPSA-N 0 0 452.530 4.745 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(N2CCCC2=O)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464157385 1068636368 /nfs/dbraw/zinc/63/63/68/1068636368.db2.gz GTDPKHWAGAGILV-IBGZPJMESA-N 0 0 456.546 4.877 20 0 JJADRN COc1cccc(N(CC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C(=O)OC(C)(C)C)c1 ZINC001464159221 1068637706 /nfs/dbraw/zinc/63/77/06/1068637706.db2.gz ZQHUEWNQPCGHHQ-UHFFFAOYSA-N 0 0 455.555 4.978 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160017 1068638321 /nfs/dbraw/zinc/63/83/21/1068638321.db2.gz ONPSMEFPDWANTN-NLFFAJNJSA-N 0 0 457.578 4.958 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(F)(F)c1ccccc1F ZINC001464162403 1068638342 /nfs/dbraw/zinc/63/83/42/1068638342.db2.gz IVVUVZWTFXFAEE-UHFFFAOYSA-N 0 0 456.392 4.635 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC001464161426 1068638382 /nfs/dbraw/zinc/63/83/82/1068638382.db2.gz VAXLDLCHTGLPLW-UHFFFAOYSA-N 0 0 457.939 4.660 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@@H](C(C)C)[C@H](O)c3ccc(Cl)cc3)ccc2nc1Cl ZINC001464164145 1068639735 /nfs/dbraw/zinc/63/97/35/1068639735.db2.gz FUDCHUMCIBOVSU-VQTJNVASSA-N 0 0 453.391 4.887 20 0 JJADRN O=C(/C=C\SCc1ccco1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464165363 1068640501 /nfs/dbraw/zinc/64/05/01/1068640501.db2.gz QMHXVOSAOMBGBU-LUAWRHEFSA-N 0 0 450.488 4.744 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC001464169995 1068641515 /nfs/dbraw/zinc/64/15/15/1068641515.db2.gz FEHWHDBILVAKTI-UHFFFAOYSA-N 0 0 459.873 4.868 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC001464169189 1068641625 /nfs/dbraw/zinc/64/16/25/1068641625.db2.gz YTLVMQHPSYWCBO-SANMLTNESA-N 0 0 455.599 4.854 20 0 JJADRN O=S(=O)(NCC1([C@@H]2CCCCO2)CCC1)c1c(Cl)cc(Br)cc1Cl 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JSTCRUDLCWLAMC-UHFFFAOYSA-N 0 0 459.642 4.651 20 0 JJADRN Cn1ccnc1[C@H](CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C(F)(F)F ZINC001464227346 1068665705 /nfs/dbraw/zinc/66/57/05/1068665705.db2.gz AGJKCFWMONPFQE-HKUYNNGSSA-N 0 0 459.447 4.503 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2)n1 ZINC001464231903 1068667118 /nfs/dbraw/zinc/66/71/18/1068667118.db2.gz FKYOVELMARYITM-UHFFFAOYSA-N 0 0 459.978 4.620 20 0 JJADRN CCC(=O)Nc1ccc(C)c(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c1 ZINC001464235950 1068668561 /nfs/dbraw/zinc/66/85/61/1068668561.db2.gz QJLIWBHWSAIHHD-HHHXNRCGSA-N 0 0 451.386 4.633 20 0 JJADRN COc1ccc(NC(=O)c2cc(O)cc(Br)c2)cc1NC(=O)c1cccc(F)c1 ZINC001464236710 1068669257 /nfs/dbraw/zinc/66/92/57/1068669257.db2.gz PQQROABONUHJCZ-UHFFFAOYSA-N 0 0 459.271 4.807 20 0 JJADRN Cc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001464238774 1068669842 /nfs/dbraw/zinc/66/98/42/1068669842.db2.gz WAEKDQKNHYIIKV-UHFFFAOYSA-N 0 0 453.370 4.617 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc(OC)c1OC ZINC001464240971 1068671368 /nfs/dbraw/zinc/67/13/68/1068671368.db2.gz ZZVYAJPRBIRVEH-DOTOQJQBSA-N 0 0 452.592 4.561 20 0 JJADRN O=C(Cn1cc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)cn1)NC1CCCCC1 ZINC001464242181 1068672051 /nfs/dbraw/zinc/67/20/51/1068672051.db2.gz ZUWGBXOUDXOCSZ-JOCHJYFZSA-N 0 0 456.999 4.566 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl ZINC001464246600 1068674684 /nfs/dbraw/zinc/67/46/84/1068674684.db2.gz IGZCDCHWDIPGMR-UHFFFAOYSA-N 0 0 457.560 4.571 20 0 JJADRN CCc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)cn2)c1 ZINC001464248509 1068674816 /nfs/dbraw/zinc/67/48/16/1068674816.db2.gz JIQFDVUXBFYUNK-UHFFFAOYSA-N 0 0 453.564 4.623 20 0 JJADRN CCc1cccc(Oc2ccc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cn2)c1 ZINC001464248562 1068675386 /nfs/dbraw/zinc/67/53/86/1068675386.db2.gz JWJSBOBNCHQPME-NRFANRHFSA-N 0 0 455.555 4.791 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1ccc(F)cc1 ZINC001464253596 1068676613 /nfs/dbraw/zinc/67/66/13/1068676613.db2.gz IFVGEWXETWZKKY-FRQRHGNXSA-N 0 0 459.606 4.946 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1ccc(F)cc1 ZINC001464253605 1068676652 /nfs/dbraw/zinc/67/66/52/1068676652.db2.gz IFVGEWXETWZKKY-RXJRQCNISA-N 0 0 459.606 4.946 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)C[C@H]2COc3cc(OC)ccc32)CC1 ZINC001464253835 1068677216 /nfs/dbraw/zinc/67/72/16/1068677216.db2.gz FDXRCKMWQDCAQN-URXFXBBRSA-N 0 0 451.563 4.537 20 0 JJADRN COCCn1cc(NC(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC001464256658 1068677774 /nfs/dbraw/zinc/67/77/74/1068677774.db2.gz YUWDMHIWNZZJMW-UHFFFAOYSA-N 0 0 456.502 4.826 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)C[C@H]2CCc3sccc3C2=O)CC1 ZINC001464255825 1068677816 /nfs/dbraw/zinc/67/78/16/1068677816.db2.gz NOFMOIRILADIOQ-IFMALSPDSA-N 0 0 453.604 4.859 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001464257784 1068678521 /nfs/dbraw/zinc/67/85/21/1068678521.db2.gz MJHZUDRLFANGES-UHFFFAOYSA-N 0 0 453.295 4.534 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)N(C)C)CC1 ZINC001464258161 1068678560 /nfs/dbraw/zinc/67/85/60/1068678560.db2.gz SPTKAIDGXNZUQI-UKILVPOCSA-N 0 0 457.014 4.918 20 0 JJADRN CCCCOc1cccc(CNC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1 ZINC001464259950 1068679293 /nfs/dbraw/zinc/67/92/93/1068679293.db2.gz ULEFOPJAWOUMHF-NRFANRHFSA-N 0 0 456.587 4.564 20 0 JJADRN CCCCOc1cccc(CNC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001464261331 1068680043 /nfs/dbraw/zinc/68/00/43/1068680043.db2.gz YLOLUIKQXCTNJO-UHFFFAOYSA-N 0 0 457.571 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CCNS(=O)(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC001464265654 1068681204 /nfs/dbraw/zinc/68/12/04/1068681204.db2.gz SCATZMXPVZMRCO-INIZCTEOSA-N 0 0 452.523 4.832 20 0 JJADRN CC[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)c1cc(C)ccc1C ZINC001464266088 1068682042 /nfs/dbraw/zinc/68/20/42/1068682042.db2.gz FQYAPYICVMBBIY-AVRWGWEMSA-N 0 0 459.431 4.508 20 0 JJADRN C[C@H]1CN(Cc2ccccc2NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC001464268509 1068682626 /nfs/dbraw/zinc/68/26/26/1068682626.db2.gz IMLDPZNDCCRJML-PMACEKPBSA-N 0 0 453.583 4.676 20 0 JJADRN COc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3)cn2)c1 ZINC001464269718 1068682705 /nfs/dbraw/zinc/68/27/05/1068682705.db2.gz LFADQTUVMFVUFF-QHCPKHFHSA-N 0 0 451.954 4.817 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C(C)(C)C)Cc3ccccc32)c(F)c1Cl ZINC001464267953 1068682726 /nfs/dbraw/zinc/68/27/26/1068682726.db2.gz XHPDBBRNAZPXQJ-AWEZNQCLSA-N 0 0 456.942 4.990 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccc4ccccc43)cc(C(C)C)nc21 ZINC001464270885 1068683346 /nfs/dbraw/zinc/68/33/46/1068683346.db2.gz MQSLLUXVAQYJTN-UHFFFAOYSA-N 0 0 458.562 4.702 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464272454 1068684152 /nfs/dbraw/zinc/68/41/52/1068684152.db2.gz PKONAOQRJBPNJC-BKMJKUGQSA-N 0 0 470.589 4.787 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCc1csc2ccccc12 ZINC001464270964 1068684200 /nfs/dbraw/zinc/68/42/00/1068684200.db2.gz JZTNLLAEBLTMGW-SANMLTNESA-N 0 0 450.423 4.911 20 0 JJADRN Cn1ccnc1COc1ccc(NC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001464277388 1068686796 /nfs/dbraw/zinc/68/67/96/1068686796.db2.gz WWFZVTSWTODBHT-RUZDIDTESA-N 0 0 457.530 4.640 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001464278479 1068686860 /nfs/dbraw/zinc/68/68/60/1068686860.db2.gz UNQYJEUATCUADR-UHFFFAOYSA-N 0 0 454.880 4.806 20 0 JJADRN COc1cccc(CC2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)CC2)c1 ZINC001464277104 1068686940 /nfs/dbraw/zinc/68/69/40/1068686940.db2.gz YTHPQAFXDQIAEX-UHFFFAOYSA-N 0 0 458.805 4.755 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC001464278492 1068687390 /nfs/dbraw/zinc/68/73/90/1068687390.db2.gz GCFJYSCCFVOUCB-XFQXTVEOSA-N 0 0 452.979 4.872 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)c1ccnc(-c2ccccc2)n1)Nc1ccccc1F ZINC001464279765 1068687911 /nfs/dbraw/zinc/68/79/11/1068687911.db2.gz CMSRUPAVSDDHRA-UHFFFAOYSA-N 0 0 458.468 4.703 20 0 JJADRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccccc1OCc1ccccc1Cl ZINC001464279155 1068688033 /nfs/dbraw/zinc/68/80/33/1068688033.db2.gz JOJINTXHKFEYNS-UHFFFAOYSA-N 0 0 450.966 4.681 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)[C@@H](O)c1cccc(Br)c1 ZINC001464281346 1068689367 /nfs/dbraw/zinc/68/93/67/1068689367.db2.gz QBISLHPZYKYBDF-IBGZPJMESA-N 0 0 458.262 4.943 20 0 JJADRN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280973 1068689442 /nfs/dbraw/zinc/68/94/42/1068689442.db2.gz JZNARUKDLKOZQH-CMJOXMDJSA-N 0 0 454.933 4.536 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)CCC[C@H](O)c1ccccc1)Nc1ccccc1F ZINC001464281625 1068690167 /nfs/dbraw/zinc/69/01/67/1068690167.db2.gz NULJJAXBHFQOPS-DEOSSOPVSA-N 0 0 452.501 4.836 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001464281429 1068690177 /nfs/dbraw/zinc/69/01/77/1068690177.db2.gz IPYGPZVVETYHKL-SANMLTNESA-N 0 0 454.615 4.895 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)CCC(=O)c1cccc(F)c1)Nc1ccccc1F ZINC001464283566 1068690640 /nfs/dbraw/zinc/69/06/40/1068690640.db2.gz XHIWZOMTWWYQJQ-UHFFFAOYSA-N 0 0 454.448 4.734 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)nc1F)Nc1ccccc1F ZINC001464283274 1068690723 /nfs/dbraw/zinc/69/07/23/1068690723.db2.gz WIGJBKGFKVWUMY-UHFFFAOYSA-N 0 0 450.272 4.948 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N(C)CCCCCc3cc(-c4ccccc4)n[nH]3)c2N1 ZINC001464284949 1068691447 /nfs/dbraw/zinc/69/14/47/1068691447.db2.gz UHVMMOJKZXQLON-IIBYNOLFSA-N 0 0 456.541 4.769 20 0 JJADRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)s1 ZINC001464287987 1068692086 /nfs/dbraw/zinc/69/20/86/1068692086.db2.gz INEOIRKPFQEDPH-DEOSSOPVSA-N 0 0 453.995 4.725 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)ccc1F ZINC001464299376 1068696951 /nfs/dbraw/zinc/69/69/51/1068696951.db2.gz NWPBMZSYGZNSKI-QGZVFWFLSA-N 0 0 459.461 4.588 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001464298883 1068697013 /nfs/dbraw/zinc/69/70/13/1068697013.db2.gz DCRDOPLWHWZGAT-HSZRJFAPSA-N 0 0 454.979 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(-n3cncn3)c(F)c2)c2ccccc21 ZINC001464301725 1068697681 /nfs/dbraw/zinc/69/76/81/1068697681.db2.gz RERGJRZRAUQTJM-MRXNPFEDSA-N 0 0 451.502 4.664 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464301889 1068697735 /nfs/dbraw/zinc/69/77/35/1068697735.db2.gz VUQUIFDHUQJEBP-OAHLLOKOSA-N 0 0 453.004 4.807 20 0 JJADRN COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001464304251 1068698393 /nfs/dbraw/zinc/69/83/93/1068698393.db2.gz XMHZQHSRHLFCLW-IBGZPJMESA-N 0 0 455.498 4.590 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1c[nH]c(=O)cc1C(F)(F)F ZINC001464305776 1068698948 /nfs/dbraw/zinc/69/89/48/1068698948.db2.gz ZTJAEHMCSBFUGY-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001464304648 1068699090 /nfs/dbraw/zinc/69/90/90/1068699090.db2.gz YNSKBQTYFWLCTK-NOAAKOMESA-N 0 0 477.531 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCCCCOCCc2ccccc2)co1 ZINC001464309556 1068700273 /nfs/dbraw/zinc/70/02/73/1068700273.db2.gz FNZWWNFLWDCQAV-NRFANRHFSA-N 0 0 457.571 4.516 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 ZINC001464310339 1068700618 /nfs/dbraw/zinc/70/06/18/1068700618.db2.gz RHNQUDUUJABGRF-INIZCTEOSA-N 0 0 453.992 4.564 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@](F)(c4ccccc4)C3)cc2)cc1 ZINC001464311656 1068700632 /nfs/dbraw/zinc/70/06/32/1068700632.db2.gz PNYWFMULXKNQFQ-RUZDIDTESA-N 0 0 452.551 4.962 20 0 JJADRN Cc1nc(NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)sc1Cc1ccc(F)cc1 ZINC001464310023 1068700844 /nfs/dbraw/zinc/70/08/44/1068700844.db2.gz PCUNGFXJHFEVNU-GDBMZVCRSA-N 0 0 455.502 4.526 20 0 JJADRN CCCCN(C)C(=O)C1CCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CC1 ZINC001464314041 1068701740 /nfs/dbraw/zinc/70/17/40/1068701740.db2.gz QYAKQIHQGLWQES-UHFFFAOYSA-N 0 0 452.986 4.790 20 0 JJADRN C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1S(=O)(=O)c1cccc2c1OCCC2 ZINC001464315622 1068702079 /nfs/dbraw/zinc/70/20/79/1068702079.db2.gz QFBKZRAVAOQPQL-OAQYLSRUSA-N 0 0 457.489 4.955 20 0 JJADRN CN(CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)OC(C)(C)C ZINC001464315763 1068702134 /nfs/dbraw/zinc/70/21/34/1068702134.db2.gz MTJZDLQCZVYTQU-UHFFFAOYSA-N 0 0 454.596 4.647 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC001464316225 1068702599 /nfs/dbraw/zinc/70/25/99/1068702599.db2.gz FKFJQKSALOBRLK-IBGZPJMESA-N 0 0 456.384 4.993 20 0 JJADRN O=C(CC1CC(c2ccccc2)C1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC001464318327 1068703740 /nfs/dbraw/zinc/70/37/40/1068703740.db2.gz KKZDOEZYQQWOEL-UHFFFAOYSA-N 0 0 456.384 4.605 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001464320181 1068704085 /nfs/dbraw/zinc/70/40/85/1068704085.db2.gz DFKDKCYQGNALMS-RBBKRZOGSA-N 0 0 465.594 4.914 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001464320771 1068704621 /nfs/dbraw/zinc/70/46/21/1068704621.db2.gz OFMHEYRBYULTTR-GOSISDBHSA-N 0 0 458.624 4.704 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(OC(C)C)cc1C ZINC001464320743 1068704743 /nfs/dbraw/zinc/70/47/43/1068704743.db2.gz NEZBNQCDERFOND-HSZRJFAPSA-N 0 0 451.592 4.821 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001464327696 1068707353 /nfs/dbraw/zinc/70/73/53/1068707353.db2.gz LOJGENJBKFXNIU-UHFFFAOYSA-N 0 0 450.579 4.988 20 0 JJADRN O=S(=O)(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1c[nH]c2c1cccc2Br ZINC001464330650 1068708322 /nfs/dbraw/zinc/70/83/22/1068708322.db2.gz XMTMLCWKTOASLL-APWZRJJASA-N 0 0 469.788 4.782 20 0 JJADRN COC(=O)c1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC001464332123 1068709010 /nfs/dbraw/zinc/70/90/10/1068709010.db2.gz GIERTCUKLMZLRB-UHFFFAOYSA-N 0 0 456.857 4.779 20 0 JJADRN CCOC(=O)c1sc(C2CCN(S(=O)(=O)c3ccc4cc(C)ccc4c3)CC2)nc1C ZINC001464334063 1068710102 /nfs/dbraw/zinc/71/01/02/1068710102.db2.gz CWXIDPBVYUJGHZ-UHFFFAOYSA-N 0 0 458.605 4.658 20 0 JJADRN O=C(CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1)Nc1ccc(Cl)cc1 ZINC001464337500 1068711138 /nfs/dbraw/zinc/71/11/38/1068711138.db2.gz VNXCTOAAPNSILD-UHFFFAOYSA-N 0 0 452.711 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001464337407 1068711157 /nfs/dbraw/zinc/71/11/57/1068711157.db2.gz FWYTVESTKLDCAZ-RTBURBONSA-N 0 0 450.988 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001464337398 1068711344 /nfs/dbraw/zinc/71/13/44/1068711344.db2.gz FWYTVESTKLDCAZ-OALUTQOASA-N 0 0 450.988 4.656 20 0 JJADRN O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001464338568 1068711798 /nfs/dbraw/zinc/71/17/98/1068711798.db2.gz QBSXLFABLWEARQ-MRXNPFEDSA-N 0 0 451.470 4.617 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001464340059 1068712495 /nfs/dbraw/zinc/71/24/95/1068712495.db2.gz NOALLECADDLBNQ-SANMLTNESA-N 0 0 455.599 4.504 20 0 JJADRN CCCOc1ccnc(CC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)n1 ZINC001464341249 1068713100 /nfs/dbraw/zinc/71/31/00/1068713100.db2.gz XSCNCJSUVSWXBR-JOCHJYFZSA-N 0 0 458.331 4.615 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001464343917 1068713412 /nfs/dbraw/zinc/71/34/12/1068713412.db2.gz SETPVFVBJSSXNW-QFIPXVFZSA-N 0 0 454.636 4.735 20 0 JJADRN COc1cccc(C[C@H]2CCCN2C(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 ZINC001464345632 1068713843 /nfs/dbraw/zinc/71/38/43/1068713843.db2.gz OKFSAOIZTMIWIP-LJQANCHMSA-N 0 0 454.368 4.799 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC001464344952 1068713944 /nfs/dbraw/zinc/71/39/44/1068713944.db2.gz ZKDVUVOFMBVKDJ-QGZVFWFLSA-N 0 0 455.555 4.880 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1Cl ZINC001464348885 1068714362 /nfs/dbraw/zinc/71/43/62/1068714362.db2.gz QAUNCOJVZCCWCB-SJLPKXTDSA-N 0 0 451.995 4.604 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1Cl ZINC001464348887 1068714658 /nfs/dbraw/zinc/71/46/58/1068714658.db2.gz QAUNCOJVZCCWCB-WMZOPIPTSA-N 0 0 451.995 4.604 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1Cl ZINC001464348881 1068714672 /nfs/dbraw/zinc/71/46/72/1068714672.db2.gz QAUNCOJVZCCWCB-AEFFLSMTSA-N 0 0 451.995 4.604 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001464349575 1068715157 /nfs/dbraw/zinc/71/51/57/1068715157.db2.gz SELDNCGXVALSJI-IEBWSBKVSA-N 0 0 457.036 4.874 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCCc1ccc(F)c(Br)c1)c1ccccc1 ZINC001464350196 1068715522 /nfs/dbraw/zinc/71/55/22/1068715522.db2.gz WQRBVDIJVUPYIM-UHFFFAOYSA-N 0 0 451.336 4.689 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001464350767 1068715580 /nfs/dbraw/zinc/71/55/80/1068715580.db2.gz POEQQCKZDVJJFF-UHFFFAOYSA-N 0 0 459.472 4.658 20 0 JJADRN O=C(Nc1cc(CC2CCCCC2)[nH]n1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001464349939 1068715612 /nfs/dbraw/zinc/71/56/12/1068715612.db2.gz KRFCGKSEPDHMRH-OAQYLSRUSA-N 0 0 451.398 4.851 20 0 JJADRN COc1cccc(C[C@H]2CCCN2C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)c1 ZINC001464350694 1068715634 /nfs/dbraw/zinc/71/56/34/1068715634.db2.gz YPLPPKNTIHIZSJ-HXUWFJFHSA-N 0 0 454.567 4.679 20 0 JJADRN CCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001546146379 1068716675 /nfs/dbraw/zinc/71/66/75/1068716675.db2.gz OXYZBUJGCSJFCY-UHFFFAOYSA-N 0 0 456.459 4.685 20 0 JJADRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001464356869 1068717929 /nfs/dbraw/zinc/71/79/29/1068717929.db2.gz CTGVPHXAKYMMBH-UHFFFAOYSA-N 0 0 455.139 4.878 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)cc1 ZINC001464358911 1068718541 /nfs/dbraw/zinc/71/85/41/1068718541.db2.gz XWGPNJSGRZVJBB-UHFFFAOYSA-N 0 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COc1ccc(C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001464370728 1068721045 /nfs/dbraw/zinc/72/10/45/1068721045.db2.gz CTGZLBRPDQBYOX-QHCPKHFHSA-N 0 0 450.966 4.914 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1c(Cl)ccnc1Br ZINC001464371715 1068721783 /nfs/dbraw/zinc/72/17/83/1068721783.db2.gz IUUZQFAMHUZZDZ-UHFFFAOYSA-N 0 0 451.727 4.732 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 ZINC001464374021 1068722209 /nfs/dbraw/zinc/72/22/09/1068722209.db2.gz CRBGMOYOPBHCFN-PXNSSMCTSA-N 0 0 458.628 4.888 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 ZINC001464374020 1068722359 /nfs/dbraw/zinc/72/23/59/1068722359.db2.gz CRBGMOYOPBHCFN-FXAWDEMLSA-N 0 0 458.628 4.888 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1F ZINC001464375059 1068723026 /nfs/dbraw/zinc/72/30/26/1068723026.db2.gz OKILMKHITUJGJH-WYMLVPIESA-N 0 0 451.325 4.529 20 0 JJADRN C[C@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1C(F)(F)F ZINC001464374774 1068723104 /nfs/dbraw/zinc/72/31/04/1068723104.db2.gz FPIGLZVPTSVMJP-IRXDYDNUSA-N 0 0 458.484 4.764 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC001464378917 1068724034 /nfs/dbraw/zinc/72/40/34/1068724034.db2.gz SIJFKEQIAACJDV-HRAATJIYSA-N 0 0 454.571 4.585 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)n2)cc1C ZINC001464378520 1068724812 /nfs/dbraw/zinc/72/48/12/1068724812.db2.gz JNVADFUETADTGS-HSZRJFAPSA-N 0 0 456.568 4.521 20 0 JJADRN CC(C)c1sc(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)nc1-c1ccccc1 ZINC001464379882 1068725348 /nfs/dbraw/zinc/72/53/48/1068725348.db2.gz KHCKOWXPQXIZTC-PEZBUJJGSA-N 0 0 455.605 4.852 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N[C@H](c3ccccc3)C(F)(F)F)C2)C1 ZINC001464384671 1068726734 /nfs/dbraw/zinc/72/67/34/1068726734.db2.gz QXKZVQKIRWJFBJ-CXIVCQEWSA-N 0 0 458.546 4.975 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001464386337 1068727158 /nfs/dbraw/zinc/72/71/58/1068727158.db2.gz LKAACDFJMKFCEJ-GPMSIDNRSA-N 0 0 453.421 4.922 20 0 JJADRN CN(C1(CNC(=O)OC(C)(C)C)CCCCC1)S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001464387143 1068727221 /nfs/dbraw/zinc/72/72/21/1068727221.db2.gz WSPBUPQEZFFYPC-FQEVSTJZSA-N 0 0 450.645 4.596 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001464386340 1068727277 /nfs/dbraw/zinc/72/72/77/1068727277.db2.gz LKAACDFJMKFCEJ-JTDSTZFVSA-N 0 0 453.421 4.922 20 0 JJADRN CCN(CCc1ccccn1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001464389059 1068727653 /nfs/dbraw/zinc/72/76/53/1068727653.db2.gz SUQBXCURWYEHMA-UHFFFAOYSA-N 0 0 450.379 4.669 20 0 JJADRN CCCCCc1nnc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)s1 ZINC001464388593 1068727690 /nfs/dbraw/zinc/72/76/90/1068727690.db2.gz PQRJVWHOKOPUFQ-DBWCEAHUSA-N 0 0 454.662 4.778 20 0 JJADRN CN(C1(CNC(=O)OC(C)(C)C)CCCCC1)S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001464387150 1068727701 /nfs/dbraw/zinc/72/77/01/1068727701.db2.gz WSPBUPQEZFFYPC-HXUWFJFHSA-N 0 0 450.645 4.596 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001464387706 1068727872 /nfs/dbraw/zinc/72/78/72/1068727872.db2.gz IWFNXBHTMFGQGK-GOSISDBHSA-N 0 0 458.967 4.632 20 0 JJADRN CCC1(Cn2c(CC(C)C)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)CCOCC1 ZINC001546146568 1068728196 /nfs/dbraw/zinc/72/81/96/1068728196.db2.gz WAWIHMMIYPFDGD-UHFFFAOYSA-N 0 0 455.647 4.684 20 0 JJADRN C[C@H]1CC(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc2N1 ZINC001464390012 1068728311 /nfs/dbraw/zinc/72/83/11/1068728311.db2.gz BHBZWROULBDDHY-AWEZNQCLSA-N 0 0 454.958 4.797 20 0 JJADRN O=S(=O)(NCc1ccc2ccc(Br)cc2c1)c1ccccc1Br ZINC001464391382 1068728922 /nfs/dbraw/zinc/72/89/22/1068728922.db2.gz MGVKRINAHJINEH-UHFFFAOYSA-N 0 0 455.171 4.843 20 0 JJADRN CCO[C@@H](CS(=O)(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CC1 ZINC001464392255 1068729241 /nfs/dbraw/zinc/72/92/41/1068729241.db2.gz 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Cc1nccn1-c1ncccc1CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001464399448 1068732541 /nfs/dbraw/zinc/73/25/41/1068732541.db2.gz LUDRLNSVGXNZLJ-UHFFFAOYSA-N 0 0 453.518 4.571 20 0 JJADRN CCC(CC)[C@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)N1CCOCC1 ZINC001464399321 1068732574 /nfs/dbraw/zinc/73/25/74/1068732574.db2.gz QGZGJIJNMHHWAU-LJQANCHMSA-N 0 0 455.546 4.828 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC001464401136 1068733175 /nfs/dbraw/zinc/73/31/75/1068733175.db2.gz OMMJKCGLKVCFMT-QFQXNSOFSA-N 0 0 457.615 4.971 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC001464407590 1068735741 /nfs/dbraw/zinc/73/57/41/1068735741.db2.gz BRKLBLJVNXQENY-UHFFFAOYSA-N 0 0 453.391 4.701 20 0 JJADRN O=C(Nc1ccc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)cc1Cl)c1ccco1 ZINC001464408466 1068735793 /nfs/dbraw/zinc/73/57/93/1068735793.db2.gz AETWFRRUOZKLRZ-UHFFFAOYSA-N 0 0 459.836 4.821 20 0 JJADRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O 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ZINC001464531255 1068774107 /nfs/dbraw/zinc/77/41/07/1068774107.db2.gz SFKZHCLMMQABQH-UHFFFAOYSA-N 0 0 453.424 4.748 20 0 JJADRN Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001464532176 1068774561 /nfs/dbraw/zinc/77/45/61/1068774561.db2.gz SKMJVMIKHXCUOC-UHFFFAOYSA-N 0 0 458.301 4.611 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001464535992 1068775068 /nfs/dbraw/zinc/77/50/68/1068775068.db2.gz KCGICOXKXRAXCM-UHFFFAOYSA-N 0 0 452.595 4.625 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC001546147873 1068781404 /nfs/dbraw/zinc/78/14/04/1068781404.db2.gz XZYAEXWJUHCOIH-PLTNMMHCSA-N 0 0 452.542 4.503 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC001464561305 1068782435 /nfs/dbraw/zinc/78/24/35/1068782435.db2.gz UKCKNRZJSZPINT-UHFFFAOYSA-N 0 0 458.558 4.514 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001464565670 1068783511 /nfs/dbraw/zinc/78/35/11/1068783511.db2.gz RCNUXHWVVXHGKO-CCDWMCETSA-N 0 0 452.595 4.954 20 0 JJADRN CN(C[C@@H]1CCCCN1S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC001464566698 1068784121 /nfs/dbraw/zinc/78/41/21/1068784121.db2.gz YKUICJANDZSIKH-AWEZNQCLSA-N 0 0 451.416 4.545 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC001464567977 1068784666 /nfs/dbraw/zinc/78/46/66/1068784666.db2.gz ULDSGGXOUSNQJR-LJQANCHMSA-N 0 0 452.576 4.556 20 0 JJADRN Cc1sc(Br)nc1C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001464571197 1068786333 /nfs/dbraw/zinc/78/63/33/1068786333.db2.gz NJEOWMAITBEBRP-KBPBESRZSA-N 0 0 458.422 4.608 20 0 JJADRN COc1cccc(N(CC(=O)NCc2csc(Br)c2)C(=O)OC(C)(C)C)c1 ZINC001464574720 1068788440 /nfs/dbraw/zinc/78/84/40/1068788440.db2.gz RCKKNTREUYRBKO-UHFFFAOYSA-N 0 0 455.374 4.577 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cn3)c2)cc1 ZINC001464575773 1068788825 /nfs/dbraw/zinc/78/88/25/1068788825.db2.gz WAJOOXFKWYNGNJ-UHFFFAOYSA-N 0 0 452.580 4.543 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1Br ZINC001464576728 1068788847 /nfs/dbraw/zinc/78/88/47/1068788847.db2.gz OZJSKFJINUTWIZ-UHFFFAOYSA-N 0 0 451.386 4.850 20 0 JJADRN Cc1cccc(NC(=O)c2cc(O)cc(Br)c2)c1C(=O)NCCc1ccccc1 ZINC001464576894 1068788860 /nfs/dbraw/zinc/78/88/60/1068788860.db2.gz HMOYMSVDMHAUIE-UHFFFAOYSA-N 0 0 453.336 4.688 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2c(C)cc(Br)cc2C)c1 ZINC001464577622 1068789279 /nfs/dbraw/zinc/78/92/79/1068789279.db2.gz CSDHWCGNEVLDJY-UHFFFAOYSA-N 0 0 459.413 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC001464579643 1068789959 /nfs/dbraw/zinc/78/99/59/1068789959.db2.gz MBFDGBFUAGOHTA-QFIPXVFZSA-N 0 0 458.599 4.891 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001464581325 1068790463 /nfs/dbraw/zinc/79/04/63/1068790463.db2.gz OGWZHTIQCQHTMD-AZUAARDMSA-N 0 0 453.583 4.750 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(C)c1 ZINC001464582173 1068790816 /nfs/dbraw/zinc/79/08/16/1068790816.db2.gz OLCUJPSWYRCFFI-OAHLLOKOSA-N 0 0 456.269 4.670 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1cccc2c1OCCCO2 ZINC001464581592 1068790932 /nfs/dbraw/zinc/79/09/32/1068790932.db2.gz OAROICOYMRTRKV-MRXNPFEDSA-N 0 0 456.269 4.737 20 0 JJADRN O=S(=O)([C@@H]1CCc2cc(Br)ccc2C1)N(Cc1cccc(F)c1)C1CCC1 ZINC001464583429 1068791355 /nfs/dbraw/zinc/79/13/55/1068791355.db2.gz HPZIOOHHPIPIPG-OAQYLSRUSA-N 0 0 452.389 4.830 20 0 JJADRN C[C@]1(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCOC2(CCC2)C1 ZINC001464584656 1068791381 /nfs/dbraw/zinc/79/13/81/1068791381.db2.gz WEVLFCNDLAEZTG-HNNXBMFYSA-N 0 0 457.217 4.774 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC001464587467 1068792067 /nfs/dbraw/zinc/79/20/67/1068792067.db2.gz WYXZUDVDNMOLNC-CYBMUJFWSA-N 0 0 453.996 4.594 20 0 JJADRN O=C(/C=C/c1ccc[nH]1)Nc1ccccc1NC(=O)c1ccccc1I ZINC001464595930 1068794154 /nfs/dbraw/zinc/79/41/54/1068794154.db2.gz HFDZDYSTHQLQBX-VAWYXSNFSA-N 0 0 457.271 4.524 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC001464602887 1068796237 /nfs/dbraw/zinc/79/62/37/1068796237.db2.gz YBCCKVQZBCEIAC-ZDUSSCGKSA-N 0 0 450.764 4.837 20 0 JJADRN CN(C)c1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 ZINC001464602557 1068796282 /nfs/dbraw/zinc/79/62/82/1068796282.db2.gz HHOKLRZHEKMVEQ-LJQANCHMSA-N 0 0 451.489 4.654 20 0 JJADRN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1 ZINC001464603200 1068796360 /nfs/dbraw/zinc/79/63/60/1068796360.db2.gz YSGQRBJPBYTYSA-UHFFFAOYSA-N 0 0 452.477 4.571 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001464607515 1068797590 /nfs/dbraw/zinc/79/75/90/1068797590.db2.gz IMVPYKFTROESEM-PXNMLYILSA-N 0 0 456.392 4.989 20 0 JJADRN Cc1cc(S(=O)(=O)NC[C@]2(c3ccccc3)CCCO2)cc(C)c1OCc1ccccc1 ZINC001464609796 1068798200 /nfs/dbraw/zinc/79/82/00/1068798200.db2.gz MQUCNBJVZDTCJI-SANMLTNESA-N 0 0 451.588 4.867 20 0 JJADRN C[C@@H](Cc1ccco1)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001464610909 1068798744 /nfs/dbraw/zinc/79/87/44/1068798744.db2.gz AGUNSKGXDVDIJH-ROUUACIJSA-N 0 0 456.539 4.653 20 0 JJADRN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001464613181 1068799316 /nfs/dbraw/zinc/79/93/16/1068799316.db2.gz QZKVAAQKOSCSHN-UHFFFAOYSA-N 0 0 459.453 4.806 20 0 JJADRN CC(C)c1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)nn1-c1ccccc1 ZINC001464615414 1068800244 /nfs/dbraw/zinc/80/02/44/1068800244.db2.gz PVFGZKWWMUEHTC-JOCHJYFZSA-N 0 0 454.368 4.972 20 0 JJADRN C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCOc2ccccc21 ZINC001464616099 1068800282 /nfs/dbraw/zinc/80/02/82/1068800282.db2.gz DZDHDKWKKNZBET-MRXNPFEDSA-N 0 0 451.169 4.732 20 0 JJADRN C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccc(Br)c1 ZINC001464617495 1068800706 /nfs/dbraw/zinc/80/07/06/1068800706.db2.gz WBDLGRRCZNERNB-FZKQIMNGSA-N 0 0 453.174 4.915 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(C(F)F)c1 ZINC001464617507 1068800793 /nfs/dbraw/zinc/80/07/93/1068800793.db2.gz HJYNIZVCEQTCGQ-DEOSSOPVSA-N 0 0 454.477 4.924 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(S(=O)(=O)c2coc3ccccc32)C1 ZINC001464619828 1068801635 /nfs/dbraw/zinc/80/16/35/1068801635.db2.gz DQRVMBFXRNBDER-KRWDZBQOSA-N 0 0 456.564 4.715 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2)nc1)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001464623731 1068802122 /nfs/dbraw/zinc/80/21/22/1068802122.db2.gz BLHJOMFKYBKQJE-UHFFFAOYSA-N 0 0 455.392 4.544 20 0 JJADRN O=S(=O)(c1cc(Br)c(Cl)cc1Cl)N1CCC[C@@H](C2CCOCC2)C1 ZINC001464626644 1068802931 /nfs/dbraw/zinc/80/29/31/1068802931.db2.gz SRFOXTZFMZWYKT-GFCCVEGCSA-N 0 0 457.217 4.583 20 0 JJADRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC001464627866 1068803165 /nfs/dbraw/zinc/80/31/65/1068803165.db2.gz KUMYTFYCWNCGJS-HOTGVXAUSA-N 0 0 455.462 4.863 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001464631188 1068804088 /nfs/dbraw/zinc/80/40/88/1068804088.db2.gz PAKMBRBSEAYRRY-SZVBFZGTSA-N 0 0 459.388 4.582 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cs1 ZINC001464632150 1068804180 /nfs/dbraw/zinc/80/41/80/1068804180.db2.gz ZZIPMKNVGRFYLU-DZGCQCFKSA-N 0 0 455.502 4.515 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)n[nH]3)c(=O)oc2c1 ZINC001464631304 1068804329 /nfs/dbraw/zinc/80/43/29/1068804329.db2.gz BJVKUSIOYVERRT-UHFFFAOYSA-N 0 0 459.550 4.974 20 0 JJADRN O=C(CCC(=O)c1ccc(F)c(F)c1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001464635267 1068806225 /nfs/dbraw/zinc/80/62/25/1068806225.db2.gz GHTSNUKMDIVRRZ-UHFFFAOYSA-N 0 0 452.295 4.512 20 0 JJADRN C[C@@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)N1CCc2ccccc21 ZINC001464640094 1068808026 /nfs/dbraw/zinc/80/80/26/1068808026.db2.gz LSQASVQVZVJMKC-INIZCTEOSA-N 0 0 452.352 4.817 20 0 JJADRN COc1ccccc1C1(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CCCCC1 ZINC001464640359 1068808074 /nfs/dbraw/zinc/80/80/74/1068808074.db2.gz NOXAIRIRZGGSFH-UHFFFAOYSA-N 0 0 453.558 4.849 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Oc2ccccc2F)nc1 ZINC001464641777 1068808404 /nfs/dbraw/zinc/80/84/04/1068808404.db2.gz XVAVGRLZWIHYEW-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN COc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(OC2CCCC2)c1 ZINC001464643568 1068809133 /nfs/dbraw/zinc/80/91/33/1068809133.db2.gz XCHJSAYVQKAAIP-UHFFFAOYSA-N 0 0 455.530 4.582 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001464644766 1068809291 /nfs/dbraw/zinc/80/92/91/1068809291.db2.gz YXRJRFYQBUDBFH-SFHVURJKSA-N 0 0 459.493 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1 ZINC001464648619 1068811104 /nfs/dbraw/zinc/81/11/04/1068811104.db2.gz LOZQDWBRSOGYOL-ZCNNSNEGSA-N 0 0 454.571 4.874 20 0 JJADRN COc1ccc(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)c(C(F)(F)F)c1 ZINC001464650692 1068811616 /nfs/dbraw/zinc/81/16/16/1068811616.db2.gz VJMGWETUABNYGV-UHFFFAOYSA-N 0 0 454.246 4.797 20 0 JJADRN O=S(=O)(NCCc1cc(F)cc(OCc2ccccc2)c1)C1=Cc2ccccc2OCC1 ZINC001464652612 1068812802 /nfs/dbraw/zinc/81/28/02/1068812802.db2.gz AXAAFOZAZMEQET-UHFFFAOYSA-N 0 0 453.535 4.690 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)cc1 ZINC001464655238 1068813226 /nfs/dbraw/zinc/81/32/26/1068813226.db2.gz KGGHELGRUNHBPI-SIBVEZHUSA-N 0 0 450.535 4.800 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(F)F ZINC001464658937 1068814263 /nfs/dbraw/zinc/81/42/63/1068814263.db2.gz YUUGISXUGYZIQI-INIZCTEOSA-N 0 0 455.889 4.801 20 0 JJADRN C[C@H](NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Oc1ccccc1 ZINC001464658109 1068814279 /nfs/dbraw/zinc/81/42/79/1068814279.db2.gz BMTUSOLNSZVKDK-IBGZPJMESA-N 0 0 454.567 4.808 20 0 JJADRN CCOc1ccc2nc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)sc2c1 ZINC001464658191 1068814375 /nfs/dbraw/zinc/81/43/75/1068814375.db2.gz VFQFUBZHLPTWRG-ZDUSSCGKSA-N 0 0 450.347 4.993 20 0 JJADRN O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC001464658548 1068814391 /nfs/dbraw/zinc/81/43/91/1068814391.db2.gz RKJLDNMQMSLPPQ-UHFFFAOYSA-N 0 0 459.230 4.931 20 0 JJADRN COC(=O)c1cc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)on1 ZINC001464659848 1068814989 /nfs/dbraw/zinc/81/49/89/1068814989.db2.gz DZKQLDRGTTVTKY-UHFFFAOYSA-N 0 0 451.426 4.657 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)cc1Br ZINC001464659456 1068815081 /nfs/dbraw/zinc/81/50/81/1068815081.db2.gz RYRRJNITPRZZAH-BTYIYWSLSA-N 0 0 455.393 4.548 20 0 JJADRN Cc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)CCCC2)c1 ZINC001464662853 1068816162 /nfs/dbraw/zinc/81/61/62/1068816162.db2.gz WQTMQWXPHCCUNB-NRFANRHFSA-N 0 0 456.533 4.829 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2CCCSC[C@H]2c2cnn(C)c2)cc1C(C)C ZINC001464663258 1068816548 /nfs/dbraw/zinc/81/65/48/1068816548.db2.gz FFNHEQKIQXUYIE-NRFANRHFSA-N 0 0 451.658 4.591 20 0 JJADRN O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)c1c[nH]c(=O)c(Br)c1 ZINC001464663849 1068816728 /nfs/dbraw/zinc/81/67/28/1068816728.db2.gz DFULVPXGNUHLCS-UHFFFAOYSA-N 0 0 459.321 4.724 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001464665981 1068817157 /nfs/dbraw/zinc/81/71/57/1068817157.db2.gz RPVHDGZTDXRNBX-HXUWFJFHSA-N 0 0 452.016 4.960 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)co2)cc1 ZINC001464665643 1068817255 /nfs/dbraw/zinc/81/72/55/1068817255.db2.gz XVYGGESHETZCAY-UHFFFAOYSA-N 0 0 450.926 4.779 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001464665140 1068817381 /nfs/dbraw/zinc/81/73/81/1068817381.db2.gz RONJZRVKWRMIMY-IBGZPJMESA-N 0 0 454.658 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OCCC(F)(F)F)Cc1ccccc1O2 ZINC001464666312 1068817664 /nfs/dbraw/zinc/81/76/64/1068817664.db2.gz QWEHXYZPOOPGJL-UHFFFAOYSA-N 0 0 458.477 4.740 20 0 JJADRN COc1cc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)ccc1OCC(C)C ZINC001464668367 1068817875 /nfs/dbraw/zinc/81/78/75/1068817875.db2.gz VIHDIOYSHUTAEJ-UHFFFAOYSA-N 0 0 456.583 4.727 20 0 JJADRN CCc1ccc(-c2cc(C(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)no2)cc1 ZINC001464668513 1068818400 /nfs/dbraw/zinc/81/84/00/1068818400.db2.gz KRMYYIHOHRTEAH-SFHVURJKSA-N 0 0 450.514 4.717 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001464671534 1068819019 /nfs/dbraw/zinc/81/90/19/1068819019.db2.gz ASHPLOGNRMCMIF-HNNXBMFYSA-N 0 0 459.472 4.525 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)CCC2CCCCC2)cc1 ZINC001464671175 1068819080 /nfs/dbraw/zinc/81/90/80/1068819080.db2.gz VVBCRCMEMMPSRB-VWLOTQADSA-N 0 0 454.636 4.539 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001464672800 1068819704 /nfs/dbraw/zinc/81/97/04/1068819704.db2.gz GLWUPJMJSJHABV-XIEYBQDHSA-N 0 0 455.514 4.797 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)C1 ZINC001464675877 1068820834 /nfs/dbraw/zinc/82/08/34/1068820834.db2.gz SREIZETZLBWTEP-JTSKRJEESA-N 0 0 459.562 4.907 20 0 JJADRN O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCCCc1ccc(Cl)cc1 ZINC001464678691 1068821851 /nfs/dbraw/zinc/82/18/51/1068821851.db2.gz GFFJVOFZTHABLI-UHFFFAOYSA-N 0 0 456.011 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)C1CCC1 ZINC001464678908 1068821871 /nfs/dbraw/zinc/82/18/71/1068821871.db2.gz NBHGFAMYLZWIOG-NRFANRHFSA-N 0 0 452.555 4.640 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)C1 ZINC001464681841 1068822920 /nfs/dbraw/zinc/82/29/20/1068822920.db2.gz FOYMNGKXOPUWLN-FUHWJXTLSA-N 0 0 456.612 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001464682349 1068823744 /nfs/dbraw/zinc/82/37/44/1068823744.db2.gz YARKWCBDWLIAGU-VWLOTQADSA-N 0 0 452.555 4.736 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H](C)c2ccc(Br)cc2)c1 ZINC001464685706 1068824362 /nfs/dbraw/zinc/82/43/62/1068824362.db2.gz IFAHCKCIHNCFAR-LLVKDONJSA-N 0 0 452.292 4.559 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2c1Br ZINC001464685524 1068824582 /nfs/dbraw/zinc/82/45/82/1068824582.db2.gz MSMSSESQYLSJDZ-UHFFFAOYSA-N 0 0 458.331 4.869 20 0 JJADRN O=C(NCCCNC(=O)c1ccccc1Nc1ccccc1)c1cccc(Br)c1 ZINC001464686421 1068825227 /nfs/dbraw/zinc/82/52/27/1068825227.db2.gz LGDCQFHKYIENHD-UHFFFAOYSA-N 0 0 452.352 4.743 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1C ZINC001464688975 1068825673 /nfs/dbraw/zinc/82/56/73/1068825673.db2.gz SIWPABGDVUJYGJ-APWZRJJASA-N 0 0 453.988 4.644 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001464689780 1068826109 /nfs/dbraw/zinc/82/61/09/1068826109.db2.gz YWWSXFUSOUJJPP-HSZRJFAPSA-N 0 0 454.011 4.670 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)C2)cc1 ZINC001464692079 1068826971 /nfs/dbraw/zinc/82/69/71/1068826971.db2.gz MQMCFBGULCPQNX-WOJBJXKFSA-N 0 0 455.002 4.535 20 0 JJADRN Cc1cccc(CCNC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)c1 ZINC001464691883 1068826988 /nfs/dbraw/zinc/82/69/88/1068826988.db2.gz CHPMUAOMHNEAOK-UHFFFAOYSA-N 0 0 457.393 4.973 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001464693021 1068827412 /nfs/dbraw/zinc/82/74/12/1068827412.db2.gz HCCYRDDNIDDPAE-RBUKOAKNSA-N 0 0 452.661 4.772 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCCC3)c3c2CCC3)cc1 ZINC001464695913 1068828083 /nfs/dbraw/zinc/82/80/83/1068828083.db2.gz OKUKOVBXXSUKHZ-UHFFFAOYSA-N 0 0 452.599 4.627 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001464697693 1068828123 /nfs/dbraw/zinc/82/81/23/1068828123.db2.gz UFPRMTYFMWTBPY-SFHVURJKSA-N 0 0 454.633 4.524 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1)c1ccccc1 ZINC001464695412 1068828179 /nfs/dbraw/zinc/82/81/79/1068828179.db2.gz MSEFJWDCGNXTGC-QGZVFWFLSA-N 0 0 454.439 4.898 20 0 JJADRN C[C@]1(Cc2ccc(Cl)s2)CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC001464698518 1068828505 /nfs/dbraw/zinc/82/85/05/1068828505.db2.gz QNHWFRRJGIOZOD-MRXNPFEDSA-N 0 0 454.923 4.524 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(OCC(C)C)c(OC)c3)s2)c1 ZINC001464702441 1068830292 /nfs/dbraw/zinc/83/02/92/1068830292.db2.gz GAELHLVUCCZEKT-UHFFFAOYSA-N 0 0 454.548 4.816 20 0 JJADRN CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC001464703781 1068830941 /nfs/dbraw/zinc/83/09/41/1068830941.db2.gz HZXRWJXGVKFDAA-SFHVURJKSA-N 0 0 457.290 4.711 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001464703731 1068831094 /nfs/dbraw/zinc/83/10/94/1068831094.db2.gz HHRPELBXSBBWME-INIZCTEOSA-N 0 0 455.507 4.869 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC001464705483 1068831458 /nfs/dbraw/zinc/83/14/58/1068831458.db2.gz IWKVESGFCMKCGS-WDEREUQCSA-N 0 0 480.293 4.591 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cnn(Cc2ccccn2)c1 ZINC001464705217 1068831556 /nfs/dbraw/zinc/83/15/56/1068831556.db2.gz HVDMHXWAPNBXJY-UHFFFAOYSA-N 0 0 457.321 4.645 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001464706133 1068832092 /nfs/dbraw/zinc/83/20/92/1068832092.db2.gz FMELMCSQTQUYFF-NRFANRHFSA-N 0 0 455.396 4.992 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1c[nH]nc1-c1c(F)cccc1F ZINC001464710443 1068833144 /nfs/dbraw/zinc/83/31/44/1068833144.db2.gz MFESWTATEPLZHQ-UHFFFAOYSA-N 0 0 453.836 4.908 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001464708385 1068833430 /nfs/dbraw/zinc/83/34/30/1068833430.db2.gz NCEXKUREJVUYAC-SFTDATJTSA-N 0 0 459.631 4.501 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cc1OCC(F)F ZINC001464717110 1068836835 /nfs/dbraw/zinc/83/68/35/1068836835.db2.gz ZKWYFQLRODTBHO-JSGCOSHPSA-N 0 0 452.420 4.765 20 0 JJADRN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(C)C ZINC000009157372 194574154 /nfs/dbraw/zinc/57/41/54/194574154.db2.gz JKQBQHNLSVENMM-UHFFFAOYSA-N 0 0 459.575 4.855 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)C3CCCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004101561 562932428 /nfs/dbraw/zinc/93/24/28/562932428.db2.gz LJQWPDCBLJYBIU-HOFKKMOUSA-N 0 0 480.605 4.988 20 0 JJADRN COc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cc(C)ccc1Br ZINC000008686756 562952959 /nfs/dbraw/zinc/95/29/59/562952959.db2.gz WDFSMCAXGPFCAW-UHFFFAOYSA-N 0 0 493.354 4.958 20 0 JJADRN O=C1c2ccccc2[C@@H]2CN([C@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]12 ZINC001164401329 718847872 /nfs/dbraw/zinc/84/78/72/718847872.db2.gz ATKUWNSXCVMSSD-XHNVNVPESA-N 0 0 483.374 4.833 20 0 JJADRN O=C1c2ccccc2[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]12 ZINC001164403815 718848488 /nfs/dbraw/zinc/84/84/88/718848488.db2.gz IYKQHVVNQQMBGN-FGZHOGPDSA-N 0 0 482.609 4.607 20 0 JJADRN O=C1c2ccccc2[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]12 ZINC001164403816 718848562 /nfs/dbraw/zinc/84/85/62/718848562.db2.gz IYKQHVVNQQMBGN-VXKWHMMOSA-N 0 0 482.609 4.607 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)c2c1C ZINC001164405090 718848906 /nfs/dbraw/zinc/84/89/06/718848906.db2.gz KSLHXAMFLIICIA-UXHICEINSA-N 0 0 490.629 4.579 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5c6ccccc6NC(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164404067 718858443 /nfs/dbraw/zinc/85/84/43/718858443.db2.gz OGCZMDGKIVPSFU-WOJBJXKFSA-N 0 0 473.646 4.584 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001164410344 718869701 /nfs/dbraw/zinc/86/97/01/718869701.db2.gz ZFLGSNVQJKAKKM-RISCZKNCSA-N 0 0 464.246 4.777 20 0 JJADRN FC1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164415840 718884098 /nfs/dbraw/zinc/88/40/98/718884098.db2.gz NMEXEOOCLUQRAI-UHFFFAOYSA-N 0 0 452.599 4.909 20 0 JJADRN Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164420783 718890369 /nfs/dbraw/zinc/89/03/69/718890369.db2.gz VUSUNHREFZHOSR-CQSZACIVSA-N 0 0 457.706 4.576 20 0 JJADRN Cc1ccc(C(F)(F)N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1Cl ZINC001164417573 718890627 /nfs/dbraw/zinc/89/06/27/718890627.db2.gz LNMJDLWJOFJXDV-ZDUSSCGKSA-N 0 0 457.706 4.576 20 0 JJADRN FC(F)(N1CCO[C@@H](c2ncn3c2cccc3Br)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164417251 718890812 /nfs/dbraw/zinc/89/08/12/718890812.db2.gz IONNWWKSHXNVRI-OAHLLOKOSA-N 0 0 483.744 4.843 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c(Cl)n1 ZINC001164425638 718938507 /nfs/dbraw/zinc/93/85/07/718938507.db2.gz XAAMMJQTUUHFKJ-UHFFFAOYSA-N 0 0 452.860 4.720 20 0 JJADRN O=C1CC2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)c2cc(F)ccc21 ZINC001164426008 718939712 /nfs/dbraw/zinc/93/97/12/718939712.db2.gz ZWXCWNQOVSEBBT-UHFFFAOYSA-N 0 0 452.889 4.634 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164430702 718953633 /nfs/dbraw/zinc/95/36/33/718953633.db2.gz WJVMHWRGCNIHAE-QGZVFWFLSA-N 0 0 484.374 4.935 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164428254 718954505 /nfs/dbraw/zinc/95/45/05/718954505.db2.gz INWALRAGLSGRQL-NRFANRHFSA-N 0 0 489.994 4.857 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164427817 718955724 /nfs/dbraw/zinc/95/57/24/718955724.db2.gz GTEQUGAAZVAIEU-FQEVSTJZSA-N 0 0 489.994 4.770 20 0 JJADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164434302 718976194 /nfs/dbraw/zinc/97/61/94/718976194.db2.gz PVSJCMHDNKUUCR-KSSFIOAISA-N 0 0 480.726 4.683 20 0 JJADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164433419 718981982 /nfs/dbraw/zinc/98/19/82/718981982.db2.gz KZEKKAPQBAHZKC-SIKLNZKXSA-N 0 0 450.913 4.804 20 0 JJADRN CCOC(=O)[C@]12C[C@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164621343 719042985 /nfs/dbraw/zinc/04/29/85/719042985.db2.gz IQNHYGFIZMNKCB-ACJLOTCBSA-N 0 0 461.818 4.893 20 0 JJADRN CN1CCc2nc(Cl)nc(N3CCC(O[C@H](c4ccc(Cl)cc4)c4ccccn4)CC3)c2C1 ZINC001164624823 719131201 /nfs/dbraw/zinc/13/12/01/719131201.db2.gz WKNCAULKXMGUDY-HSZRJFAPSA-N 0 0 484.431 4.941 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC[C@@H](OCC(=O)N(C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164629492 719139307 /nfs/dbraw/zinc/13/93/07/719139307.db2.gz BOGUXMIRFDNPQY-HXUWFJFHSA-N 0 0 493.982 4.766 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)c2ccccc21 ZINC001164631749 719139597 /nfs/dbraw/zinc/13/95/97/719139597.db2.gz OIWRQIJBOJZIBE-GOSISDBHSA-N 0 0 499.389 4.806 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C[C@@H]3O2)n1 ZINC001164638313 719262095 /nfs/dbraw/zinc/26/20/95/719262095.db2.gz OJNJOGUREYNARS-SNPRPXQTSA-N 0 0 458.340 4.684 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C[C@H]3O2)n1 ZINC001164638832 719263009 /nfs/dbraw/zinc/26/30/09/719263009.db2.gz PLXYJALXDGJBGI-XOKHGSTOSA-N 0 0 476.915 4.600 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c(Cl)n1 ZINC001164645223 719289975 /nfs/dbraw/zinc/28/99/75/719289975.db2.gz DRPNRIRFEOZHKI-ZLIFDBKOSA-N 0 0 469.941 4.757 20 0 JJADRN 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Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)c2c1C ZINC001164662042 719343634 /nfs/dbraw/zinc/34/36/34/719343634.db2.gz MTGDCSZCXOBHMW-DPLHUUCSSA-N 0 0 470.683 4.847 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164662752 719343827 /nfs/dbraw/zinc/34/38/27/719343827.db2.gz RITQXEVJKNDXFF-OPYAIIAOSA-N 0 0 464.944 4.680 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164659223 719344225 /nfs/dbraw/zinc/34/42/25/719344225.db2.gz AOPWIMQXJXMMIZ-UEXGIBASSA-N 0 0 464.944 4.680 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(Cl)nc(C)n1)CC2 ZINC001164663448 719347925 /nfs/dbraw/zinc/34/79/25/719347925.db2.gz HBISCGGJMNPAQQ-UHFFFAOYSA-N 0 0 472.971 4.678 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164664465 719348282 /nfs/dbraw/zinc/34/82/82/719348282.db2.gz USOMPZRFVMYTMO-UHFFFAOYSA-N 0 0 456.569 4.772 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164663913 719349731 /nfs/dbraw/zinc/34/97/31/719349731.db2.gz PAZFNNAWGVZLEM-UHFFFAOYSA-N 0 0 480.616 4.750 20 0 JJADRN CCOc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)c1 ZINC001164663526 719349909 /nfs/dbraw/zinc/34/99/09/719349909.db2.gz JQSYXHDCAYLFPA-UHFFFAOYSA-N 0 0 452.002 4.828 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164664062 719350076 /nfs/dbraw/zinc/35/00/76/719350076.db2.gz PODXWEQYSFRDNO-UHFFFAOYSA-N 0 0 473.621 4.732 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164663764 719350670 /nfs/dbraw/zinc/35/06/70/719350670.db2.gz LOHOCGNUFAXXLV-UHFFFAOYSA-N 0 0 498.631 4.650 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164658402 719351202 /nfs/dbraw/zinc/35/12/02/719351202.db2.gz GGFNLLMWWGBIQM-UHFFFAOYSA-N 0 0 489.023 4.987 20 0 JJADRN CCOc1ccc2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CCN4CC)c2c1 ZINC001164658045 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468.580 4.977 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164658458 719354782 /nfs/dbraw/zinc/35/47/82/719354782.db2.gz HJUQDIYMQVQEBJ-UHFFFAOYSA-N 0 0 468.605 4.642 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164658973 719355327 /nfs/dbraw/zinc/35/53/27/719355327.db2.gz NTQTWFJQHAKLEP-UHFFFAOYSA-N 0 0 490.615 4.510 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164659522 719355486 /nfs/dbraw/zinc/35/54/86/719355486.db2.gz QIXFTCQMGWYFBB-UHFFFAOYSA-N 0 0 485.661 4.912 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164664180 719355978 /nfs/dbraw/zinc/35/59/78/719355978.db2.gz LODLIMTZOTXPMX-UHFFFAOYSA-N 0 0 468.580 4.977 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164663945 719360057 /nfs/dbraw/zinc/36/00/57/719360057.db2.gz JPJWAVPJRYQPOY-UHFFFAOYSA-N 0 0 491.995 4.886 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cc1 ZINC001164669419 719494441 /nfs/dbraw/zinc/49/44/41/719494441.db2.gz UNDVRWVXCOWRNG-UHFFFAOYSA-N 0 0 460.327 4.944 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)cc1 ZINC001164673191 719497643 /nfs/dbraw/zinc/49/76/43/719497643.db2.gz PMIYZQIVGBDWBV-UHFFFAOYSA-N 0 0 476.930 4.839 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4cccc(Cl)c42)CC3)cc1 ZINC001164673877 719508181 /nfs/dbraw/zinc/50/81/81/719508181.db2.gz SUUREKQXLCVSJZ-UHFFFAOYSA-N 0 0 461.368 4.947 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)ncc2OCc2ccccc2)CC3)cc1 ZINC001164673383 719509773 /nfs/dbraw/zinc/50/97/73/719509773.db2.gz QZZCMWTZKIVXOY-UHFFFAOYSA-N 0 0 482.987 4.720 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)cc(Cc4ccccc4)n2)CC3)cc1 ZINC001164672561 719516900 /nfs/dbraw/zinc/51/69/00/719516900.db2.gz KVHUURDUCPWPMH-UHFFFAOYSA-N 0 0 466.988 4.731 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccccc2)CC3)cc1 ZINC001164678449 719530517 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ZINC001164699517 719827145 /nfs/dbraw/zinc/82/71/45/719827145.db2.gz WQHZPRIADPVCCY-MRXNPFEDSA-N 0 0 477.918 4.758 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)Sc3ccc(Cl)nc3)CC2)cc1 ZINC001164696851 719830552 /nfs/dbraw/zinc/83/05/52/719830552.db2.gz LEORNOKZPCLEPN-UHFFFAOYSA-N 0 0 489.979 4.777 20 0 JJADRN COC[C@@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164696856 719832249 /nfs/dbraw/zinc/83/22/49/719832249.db2.gz VPNXAJVVIBVZTN-NRFANRHFSA-N 0 0 488.661 4.828 20 0 JJADRN Cn1cnc2c1cc(C1CCN([C@H](F)Oc3ccc(Cl)nc3)CC1)nc2-c1cccnc1 ZINC001164702771 719881153 /nfs/dbraw/zinc/88/11/53/719881153.db2.gz PUPATYOQXVYBDY-QHCPKHFHSA-N 0 0 452.921 4.590 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)cnc2Cl)c1 ZINC001164808795 720051634 /nfs/dbraw/zinc/05/16/34/720051634.db2.gz ZCSYMVCWPOGZTA-REWPJTCUSA-N 0 0 492.929 4.737 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164802460 720053238 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498.722 4.685 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)cs1 ZINC001164815726 720258285 /nfs/dbraw/zinc/25/82/85/720258285.db2.gz DPIRBDMBNPUSJG-WOJBJXKFSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)c1 ZINC001164820843 720284083 /nfs/dbraw/zinc/28/40/83/720284083.db2.gz YBUNUOVQYWNPJO-QHCPKHFHSA-N 0 0 460.956 4.879 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164721797 720317816 /nfs/dbraw/zinc/31/78/16/720317816.db2.gz HWNOTCNCSFHQGB-FQEVSTJZSA-N 0 0 489.954 4.844 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731041 720367371 /nfs/dbraw/zinc/36/73/71/720367371.db2.gz YISFAQBMZJHLSV-ROUUACIJSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)[C@H]3CCCO[C@@H]23)cs1 ZINC001164824349 720386622 /nfs/dbraw/zinc/38/66/22/720386622.db2.gz QZQKCMCMKHUMCE-ZMSDIMECSA-N 0 0 450.338 4.651 20 0 JJADRN 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Cc1nc(CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@H]3CCCO[C@@H]23)cs1 ZINC001164824939 720391777 /nfs/dbraw/zinc/39/17/77/720391777.db2.gz SLYGJPNPQXFIQV-YQVWRLOYSA-N 0 0 466.941 4.546 20 0 JJADRN COc1ccc2nc(C(F)(F)N3C[C@H](OCc4csc(C)n4)[C@@H]4OCCC[C@H]43)nc(Cl)c2c1 ZINC001164821540 720392045 /nfs/dbraw/zinc/39/20/45/720392045.db2.gz HQJIXXJIVOYCHX-CEXWTWQISA-N 0 0 496.967 4.555 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821362 720394281 /nfs/dbraw/zinc/39/42/81/720394281.db2.gz GAVWMGVOUMBUQN-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821551 720394897 /nfs/dbraw/zinc/39/48/97/720394897.db2.gz HTNGRZFMXOKVCR-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)O2)n1 ZINC001164827661 720402483 /nfs/dbraw/zinc/40/24/83/720402483.db2.gz GWDASERBGRWUSB-KFWWJZLASA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)O2)n1 ZINC001164828087 720403916 /nfs/dbraw/zinc/40/39/16/720403916.db2.gz HQIJEYFCFHXOOQ-KFWWJZLASA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826134 720408414 /nfs/dbraw/zinc/40/84/14/720408414.db2.gz BTXKVKBHYGWPOO-UFYCRDLUSA-N 0 0 494.665 4.602 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827551 720408608 /nfs/dbraw/zinc/40/86/08/720408608.db2.gz FZUVWVFMNHXIAO-AABGKKOBSA-N 0 0 494.665 4.746 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)O2)n1 ZINC001164828757 720411440 /nfs/dbraw/zinc/41/14/40/720411440.db2.gz KUBORUSNGRRWMR-KSZLIROESA-N 0 0 465.863 4.671 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164827531 720418163 /nfs/dbraw/zinc/41/81/63/720418163.db2.gz SUIAIAHSGSTDMF-JKIFEVAISA-N 0 0 472.363 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164827529 720418557 /nfs/dbraw/zinc/41/85/57/720418557.db2.gz SUIAIAHSGSTDMF-CPUCHLNUSA-N 0 0 472.363 4.700 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164735964 720421781 /nfs/dbraw/zinc/42/17/81/720421781.db2.gz ZZEKWYWRSCXFPW-FGZHOGPDSA-N 0 0 498.961 4.982 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]21 ZINC001164825676 720426112 /nfs/dbraw/zinc/42/61/12/720426112.db2.gz OIHTZXOIMCZBCY-RVKKMQEKSA-N 0 0 469.985 4.622 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]21 ZINC001164824369 720426362 /nfs/dbraw/zinc/42/63/62/720426362.db2.gz LBQLFRFFNLDUAJ-DBXWQHBBSA-N 0 0 470.004 4.941 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@H](CC(=O)NC(C)C)[C@H]4C3)cnc2Cl)c1 ZINC001164829107 720426494 /nfs/dbraw/zinc/42/64/94/720426494.db2.gz ZUZNILDJMKEWAI-WOIUINJBSA-N 0 0 477.983 4.869 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164729552 720484195 /nfs/dbraw/zinc/48/41/95/720484195.db2.gz RNWKSHKUCHJZFE-RTWAWAEBSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723564 720485344 /nfs/dbraw/zinc/48/53/44/720485344.db2.gz CLTWQAZFYUYSBT-RTWAWAEBSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc(Cl)nc2Cl)C3)c1 ZINC001164730576 720490838 /nfs/dbraw/zinc/49/08/38/720490838.db2.gz UNFAAQWJXYWKIL-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)C3)c1 ZINC001164732334 720491110 /nfs/dbraw/zinc/49/11/10/720491110.db2.gz ZDJUBUOHSFKKJP-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cnc(Cl)cc2Cl)C3)c1 ZINC001164731560 720491272 /nfs/dbraw/zinc/49/12/72/720491272.db2.gz WLWXEDLTJHZQJL-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2Cl)C3)c1 ZINC001164730179 720491524 /nfs/dbraw/zinc/49/15/24/720491524.db2.gz SQQPXBWKBVJXEM-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164730203 720491618 /nfs/dbraw/zinc/49/16/18/720491618.db2.gz SUMVRFZODNISLB-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4ncnc(Cl)c4c2)C3)c1 ZINC001164723078 720492476 /nfs/dbraw/zinc/49/24/76/720492476.db2.gz BTWKVOALKKCDEL-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)C3)c1 ZINC001164730566 720492866 /nfs/dbraw/zinc/49/28/66/720492866.db2.gz UHVCBEQZGNDETB-QRQCRPRQSA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164722478 720493044 /nfs/dbraw/zinc/49/30/44/720493044.db2.gz AXHOSCTVMSARNY-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)C3)c1 ZINC001164730564 720493320 /nfs/dbraw/zinc/49/33/20/720493320.db2.gz UHVCBEQZGNDETB-NYHFZMIOSA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2nc4ccccc4nc2Cl)C3)c1 ZINC001164729655 720494425 /nfs/dbraw/zinc/49/44/25/720494425.db2.gz SERSDQMKXFVTGX-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cccc4c(Cl)ncnc42)C3)c1 ZINC001164730816 720494823 /nfs/dbraw/zinc/49/48/23/720494823.db2.gz VIYYDXARJGRHQM-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164725299 720495540 /nfs/dbraw/zinc/49/55/40/720495540.db2.gz JIKOCYZBURKCTO-QVKFZJNVSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164722451 720496831 /nfs/dbraw/zinc/49/68/31/720496831.db2.gz AQIALLXUFZJOHE-VGSWGCGISA-N 0 0 481.946 4.718 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21)N1CCCCC1 ZINC001164831881 720499132 /nfs/dbraw/zinc/49/91/32/720499132.db2.gz HUQHFFAIHDPSRS-CBQOVEMMSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@@H]21)N1CCCCC1 ZINC001164830292 720499224 /nfs/dbraw/zinc/49/92/24/720499224.db2.gz AAWFDXNAVLQBFP-QOKNQOGYSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164727468 720499323 /nfs/dbraw/zinc/49/93/23/720499323.db2.gz NAXMVKWQLMLXHL-UTKZUKDTSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]21)N1CCCCC1 ZINC001164835631 720501606 /nfs/dbraw/zinc/50/16/06/720501606.db2.gz ZIBADHBOOKOMIP-BJLQDIEVSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]21)N1CCCCC1 ZINC001164839393 720503752 /nfs/dbraw/zinc/50/37/52/720503752.db2.gz TWGPUIKCCQVXED-SVMVAKDDSA-N 0 0 482.015 4.793 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164833963 720504052 /nfs/dbraw/zinc/50/40/52/720504052.db2.gz DXUBHBDIHZXGMD-MDKPJZGXSA-N 0 0 479.955 4.784 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164728592 720504674 /nfs/dbraw/zinc/50/46/74/720504674.db2.gz GKHSCBXRQMWZNG-ZJSXRUAMSA-N 0 0 499.949 4.669 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736577 720537925 /nfs/dbraw/zinc/53/79/25/720537925.db2.gz ZOLWJGNFSQVGIY-JTSKRJEESA-N 0 0 460.912 4.678 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2ccc(F)c(Cl)n2)Cc2ccccc23)nc1 ZINC001164836888 720735411 /nfs/dbraw/zinc/73/54/11/720735411.db2.gz HNAKPHJEGNYNDX-UHFFFAOYSA-N 0 0 477.893 4.907 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)Cc2ccccc23)nc1 ZINC001164836892 720735775 /nfs/dbraw/zinc/73/57/75/720735775.db2.gz HREAOXOZQBGPGW-UHFFFAOYSA-N 0 0 499.928 4.644 20 0 JJADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)CCC[C@@]12CCC(=O)N2 ZINC001164846731 720751793 /nfs/dbraw/zinc/75/17/93/720751793.db2.gz JQDKZBGBSBDCRD-WMZHIEFXSA-N 0 0 473.955 4.861 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164850483 720755007 /nfs/dbraw/zinc/75/50/07/720755007.db2.gz XALGPKNFSIXGSD-DHGLHQTCSA-N 0 0 481.710 4.830 20 0 JJADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccccc1 ZINC001164846893 720766077 /nfs/dbraw/zinc/76/60/77/720766077.db2.gz KPTLDGZBMZWWSL-ZWKOTPCHSA-N 0 0 455.896 4.511 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843693 720766528 /nfs/dbraw/zinc/76/65/28/720766528.db2.gz AKMHRVSGMZKZFI-LEWJYISDSA-N 0 0 463.651 4.924 20 0 JJADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccccc1 ZINC001164846105 720766547 /nfs/dbraw/zinc/76/65/47/720766547.db2.gz HKAWKPFBZAZZGY-MSOLQXFVSA-N 0 0 455.896 4.511 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)nc12 ZINC001164851218 720771973 /nfs/dbraw/zinc/77/19/73/720771973.db2.gz YXXSPJHKOFOQIQ-MNEFBYGVSA-N 0 0 478.902 4.705 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164851372 720773234 /nfs/dbraw/zinc/77/32/34/720773234.db2.gz ZMRQFAJLXRCFJX-WMQCIHAUSA-N 0 0 460.912 4.566 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847844 720778739 /nfs/dbraw/zinc/77/87/39/720778739.db2.gz NQTNZCCJVUPJOZ-IVIIFCHOSA-N 0 0 484.959 4.663 20 0 JJADRN COC[C@]12CCC[C@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164851081 720789126 /nfs/dbraw/zinc/78/91/26/720789126.db2.gz XIZSFMYMYFHJPE-YCRPNKLZSA-N 0 0 486.346 4.938 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749765 720806421 /nfs/dbraw/zinc/80/64/21/720806421.db2.gz UODUWPQINVOIDL-MOPGFXCFSA-N 0 0 492.357 4.732 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854680 720806763 /nfs/dbraw/zinc/80/67/63/720806763.db2.gz VHTBBGOALAHFCJ-MUUNZHRXSA-N 0 0 488.035 4.583 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)C2=O)c1 ZINC001164849221 720807549 /nfs/dbraw/zinc/80/75/49/720807549.db2.gz FHRKDWJZXDAHMI-QHCPKHFHSA-N 0 0 474.914 4.905 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)C2=O)c1 ZINC001164854702 720808765 /nfs/dbraw/zinc/80/87/65/720808765.db2.gz VLGQZSQFUDMCIS-DEOSSOPVSA-N 0 0 483.950 4.674 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)c(Cl)nn2)cc1 ZINC001164852412 720814608 /nfs/dbraw/zinc/81/46/08/720814608.db2.gz NPBHIGQWBWIRAO-RTWAWAEBSA-N 0 0 497.977 4.955 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164851219 720815187 /nfs/dbraw/zinc/81/51/87/720815187.db2.gz KGDIZKSXZROHEP-WIYYLYMNSA-N 0 0 460.956 4.817 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCOC[C@H]2c2csc(C)n2)c(Cl)nn1 ZINC001164748144 720865634 /nfs/dbraw/zinc/86/56/34/720865634.db2.gz KOCRITQLGAOWCK-KRWDZBQOSA-N 0 0 452.914 4.693 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1)c1ccccc1 ZINC001164856890 720898298 /nfs/dbraw/zinc/89/82/98/720898298.db2.gz HQBUJVFQIAHATB-OFVILXPXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1)c1ccccc1 ZINC001164859396 720899058 /nfs/dbraw/zinc/89/90/58/720899058.db2.gz PTWZRKZEDSOANC-YKSBVNFPSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1)c1ccccc1 ZINC001164860616 720899510 /nfs/dbraw/zinc/89/95/10/720899510.db2.gz UONZOBFJKQHFAT-DVECYGJZSA-N 0 0 471.935 4.991 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164854002 720901158 /nfs/dbraw/zinc/90/11/58/720901158.db2.gz DSCZMTDEAGJUDT-IIBYNOLFSA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1)c1ccccc1 ZINC001164859836 720901684 /nfs/dbraw/zinc/90/16/84/720901684.db2.gz QDCYDOVBMLCQCJ-BWKNWUBXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1)c1ccccc1 ZINC001164856800 720902548 /nfs/dbraw/zinc/90/25/48/720902548.db2.gz KWRLIWCTYIEQCX-BWKNWUBXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1)c1ccccc1 ZINC001164855582 720903039 /nfs/dbraw/zinc/90/30/39/720903039.db2.gz ITVNFHIWKSANAA-WMZHIEFXSA-N 0 0 461.940 4.715 20 0 JJADRN CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C[C@@H]21 ZINC001164758243 721001719 /nfs/dbraw/zinc/00/17/19/721001719.db2.gz UIMCRUJVLQEKQE-YSSFQJQWSA-N 0 0 499.389 4.713 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164759626 721009170 /nfs/dbraw/zinc/00/91/70/721009170.db2.gz MODFTSAFYLYJQU-ZRBLBEILSA-N 0 0 487.934 4.674 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164762885 721010889 /nfs/dbraw/zinc/01/08/89/721010889.db2.gz WNSMOIWSALMSIG-ZRBLBEILSA-N 0 0 487.934 4.771 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164757284 721026789 /nfs/dbraw/zinc/02/67/89/721026789.db2.gz CXTPOBONFVDIJG-VGSWGCGISA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1=O ZINC001164858111 721026813 /nfs/dbraw/zinc/02/68/13/721026813.db2.gz GIOJHJDAORIFPF-GIVPXCGWSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164766645 721028458 /nfs/dbraw/zinc/02/84/58/721028458.db2.gz RJPNIMTVRYUKGB-XMSQKQJNSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1=O ZINC001164856541 721028940 /nfs/dbraw/zinc/02/89/40/721028940.db2.gz AZIJHLAICAZVOF-DBXWQHBBSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164761548 721029508 /nfs/dbraw/zinc/02/95/08/721029508.db2.gz GHKYVUDFUNVAQT-UGKGYDQZSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]2C1=O ZINC001164860942 721029589 /nfs/dbraw/zinc/02/95/89/721029589.db2.gz LWYDGCGZYPLMND-SYYKKAFVSA-N 0 0 477.983 4.781 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)ncc1Cl)[C@@H]2COCc1ccccc1 ZINC001164758904 721047474 /nfs/dbraw/zinc/04/74/74/721047474.db2.gz DQYUUJSPNJWCBE-GOSISDBHSA-N 0 0 468.335 4.865 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)n1 ZINC001164765244 721053221 /nfs/dbraw/zinc/05/32/21/721053221.db2.gz COCMZZXSGPZRKM-DLBZAZTESA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)n1 ZINC001164765252 721053437 /nfs/dbraw/zinc/05/34/37/721053437.db2.gz COCMZZXSGPZRKM-IRXDYDNUSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001164769228 721054660 /nfs/dbraw/zinc/05/46/60/721054660.db2.gz IWROAOKIDCHZBN-LSDHHAIUSA-N 0 0 461.727 4.670 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)n1 ZINC001164771037 721055904 /nfs/dbraw/zinc/05/59/04/721055904.db2.gz LLJTUTPFIKDVBF-SFTDATJTSA-N 0 0 484.934 4.910 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)c1 ZINC001164773444 721056787 /nfs/dbraw/zinc/05/67/87/721056787.db2.gz RSMILEZCFXHTHU-FGZHOGPDSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)n1 ZINC001164774120 721057263 /nfs/dbraw/zinc/05/72/63/721057263.db2.gz UUNGHUIQJVLECQ-NHCUHLMSSA-N 0 0 460.956 4.632 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c(Cl)n1 ZINC001164766672 721059950 /nfs/dbraw/zinc/05/99/50/721059950.db2.gz FSKKDAHXCBSCGS-VGOFRKELSA-N 0 0 450.913 5.000 20 0 JJADRN O=C(c1cccnc1N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164774200 721060090 /nfs/dbraw/zinc/06/00/90/721060090.db2.gz VIROEAHYJNKLBY-JTSJOTPCSA-N 0 0 496.655 4.583 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164873093 721218638 /nfs/dbraw/zinc/21/86/38/721218638.db2.gz PXUVLKVMNNBBDC-UHFFFAOYSA-N 0 0 480.346 4.752 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3ccccn3)CCO4)c(Cl)nn2)cc1 ZINC001164869960 721221050 /nfs/dbraw/zinc/22/10/50/721221050.db2.gz DTUVTZOYVWWGEH-UHFFFAOYSA-N 0 0 485.966 4.921 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]32)N=C1C ZINC001164871634 721232908 /nfs/dbraw/zinc/23/29/08/721232908.db2.gz GXZKEZSKAXQKMJ-NIJIEXERSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]32)N=C1C ZINC001164871629 721233232 /nfs/dbraw/zinc/23/32/32/721233232.db2.gz GXZKEZSKAXQKMJ-LERMDLETSA-N 0 0 476.930 4.952 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)nc(Cl)c2c1 ZINC001164879290 721248315 /nfs/dbraw/zinc/24/83/15/721248315.db2.gz XUNCSKNHSUZQCZ-LZQZEXGQSA-N 0 0 464.875 4.568 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164878223 721251861 /nfs/dbraw/zinc/25/18/61/721251861.db2.gz STIMGRWUEXKMER-FCEUIQTBSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164760453 721252914 /nfs/dbraw/zinc/25/29/14/721252914.db2.gz FAVYMWWFQNWCJP-DOPJRALCSA-N 0 0 496.341 4.695 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)O1)c1ccccc1 ZINC001164877811 721254030 /nfs/dbraw/zinc/25/40/30/721254030.db2.gz RTTZMWGQOAJMIF-DYESRHJHSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)O1)c1ccccc1 ZINC001164876054 721254239 /nfs/dbraw/zinc/25/42/39/721254239.db2.gz NJKKUTZVKSJYOD-IERDGZPVSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)O1)c1ccccc1 ZINC001164872690 721255543 /nfs/dbraw/zinc/25/55/43/721255543.db2.gz FCPOSFHCNFEZBB-HRAATJIYSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)O1)c1ccccc1 ZINC001164878104 721256215 /nfs/dbraw/zinc/25/62/15/721256215.db2.gz SCWURRMQXHWHHF-YADARESESA-N 0 0 486.950 4.776 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1Cl ZINC001164879336 721257176 /nfs/dbraw/zinc/25/71/76/721257176.db2.gz YBIGVHXRQYBPDO-JTSKRJEESA-N 0 0 481.996 4.950 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)O1)c1ccccc1 ZINC001164879271 721258029 /nfs/dbraw/zinc/25/80/29/721258029.db2.gz XPRKZDXGKNAOQK-HOYKHHGWSA-N 0 0 486.950 4.776 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765234 721270304 /nfs/dbraw/zinc/27/03/04/721270304.db2.gz JKZIYYOSFHAGHP-UHFFFAOYSA-N 0 0 494.933 4.806 20 0 JJADRN C[Si](C)(C)c1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc1Cl ZINC001164763069 721270468 /nfs/dbraw/zinc/27/04/68/721270468.db2.gz BNNAKHQCMOFDGA-UHFFFAOYSA-N 0 0 489.042 4.895 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164769180 721274572 /nfs/dbraw/zinc/27/45/72/721274572.db2.gz PPIKJXQBUAFKGD-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164769154 721275059 /nfs/dbraw/zinc/27/50/59/721275059.db2.gz PKDQZPNSTDRANN-OAHLLOKOSA-N 0 0 488.951 4.710 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767069 721275278 /nfs/dbraw/zinc/27/52/78/721275278.db2.gz FIHPTIAOUIJNMS-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164768189 721276923 /nfs/dbraw/zinc/27/69/23/721276923.db2.gz LTJDZYYOMQNMIT-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]2C1 ZINC001164873859 721297760 /nfs/dbraw/zinc/29/77/60/721297760.db2.gz CCNVULDNYOCAFP-APWZRJJASA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]2C1 ZINC001164879708 721299358 /nfs/dbraw/zinc/29/93/58/721299358.db2.gz ZWMCBYORQVKORT-IUODEOHRSA-N 0 0 495.901 4.728 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]2C1 ZINC001164878346 721299928 /nfs/dbraw/zinc/29/99/28/721299928.db2.gz KVYKDHVZZKFAIV-BEFAXECRSA-N 0 0 467.969 4.586 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC2)N1CC1CC1 ZINC001164775648 721307338 /nfs/dbraw/zinc/30/73/38/721307338.db2.gz HKVGXDDDNFXELF-UHFFFAOYSA-N 0 0 464.919 4.852 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881976 721313948 /nfs/dbraw/zinc/31/39/48/721313948.db2.gz YVTYHBPJLIIVJA-JCGIZDLHSA-N 0 0 478.952 4.861 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164879579 721314283 /nfs/dbraw/zinc/31/42/83/721314283.db2.gz NRZRTKQMWGKANG-PCCBWWKXSA-N 0 0 481.666 4.608 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164873283 721314567 /nfs/dbraw/zinc/31/45/67/721314567.db2.gz AZABMNUVSAZRCE-NWANDNLSSA-N 0 0 463.834 4.757 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164873286 721314835 /nfs/dbraw/zinc/31/48/35/721314835.db2.gz AZABMNUVSAZRCE-VHDGCEQUSA-N 0 0 463.834 4.757 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c(Cl)nn1 ZINC001164876397 721315228 /nfs/dbraw/zinc/31/52/28/721315228.db2.gz GYHQWMSZQMFGRO-ONGXBYRLSA-N 0 0 490.913 4.939 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001164877217 721315859 /nfs/dbraw/zinc/31/58/59/721315859.db2.gz JYUUEMGJXTUUET-ONGXBYRLSA-N 0 0 490.913 4.939 20 0 JJADRN CCN1CC[C@@]2(CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2C)C1=O ZINC001164779464 721319159 /nfs/dbraw/zinc/31/91/59/721319159.db2.gz YGQPFUUUDGYBJO-MGNBDDOMSA-N 0 0 463.743 4.830 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)n1 ZINC001164880780 721319250 /nfs/dbraw/zinc/31/92/50/721319250.db2.gz ZISAFPXVWCZKAF-QHCPKHFHSA-N 0 0 497.668 4.920 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164778566 721325176 /nfs/dbraw/zinc/32/51/76/721325176.db2.gz PSVCFEFDOCRIAS-LBPRGKRZSA-N 0 0 470.904 4.631 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164778239 721325262 /nfs/dbraw/zinc/32/52/62/721325262.db2.gz OILCBMIUEHMKES-ZDUSSCGKSA-N 0 0 482.865 4.708 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164778882 721326457 /nfs/dbraw/zinc/32/64/57/721326457.db2.gz ZVHOMOYXDHVJIN-CYBMUJFWSA-N 0 0 459.921 4.743 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164779421 721326598 /nfs/dbraw/zinc/32/65/98/721326598.db2.gz XTYSDAIWSOXPLI-CYBMUJFWSA-N 0 0 452.864 4.502 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)c2c1C ZINC001164777818 721327247 /nfs/dbraw/zinc/32/72/47/721327247.db2.gz RCAXIYGIHFCREI-LJQANCHMSA-N 0 0 497.640 4.645 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2)N1CC=CC1 ZINC001164776611 721328448 /nfs/dbraw/zinc/32/84/48/721328448.db2.gz GXSHIEACTGEUPC-UHFFFAOYSA-N 0 0 459.368 4.894 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2)N1CC=CC1 ZINC001164778762 721328797 /nfs/dbraw/zinc/32/87/97/721328797.db2.gz YGAONAJMNJPNAU-UHFFFAOYSA-N 0 0 475.971 4.788 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)cs1 ZINC001164873876 721330513 /nfs/dbraw/zinc/33/05/13/721330513.db2.gz CYMSYHHELJLSDF-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)cs1 ZINC001164874009 721332408 /nfs/dbraw/zinc/33/24/08/721332408.db2.gz FPYGWMPMVVYNEO-ZDUSSCGKSA-N 0 0 490.363 4.628 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(Cl)(Cl)Oc3ccc(Cl)nc3)C2)cs1 ZINC001164876846 721332501 /nfs/dbraw/zinc/33/25/01/721332501.db2.gz QZBRXWUFNFALNS-AWEZNQCLSA-N 0 0 488.828 4.513 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)cs1 ZINC001164874710 721333060 /nfs/dbraw/zinc/33/30/60/721333060.db2.gz IIGSUYANBIZZFU-OAHLLOKOSA-N 0 0 479.984 4.972 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778642 721335553 /nfs/dbraw/zinc/33/55/53/721335553.db2.gz XWKJXISQNNZLSF-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164881730 721346950 /nfs/dbraw/zinc/34/69/50/721346950.db2.gz AEVUBMZEDCGIAX-WIYYLYMNSA-N 0 0 467.969 4.520 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777253 721349959 /nfs/dbraw/zinc/34/99/59/721349959.db2.gz FFQIFMRVAFHEHA-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2C1 ZINC001164883426 721353327 /nfs/dbraw/zinc/35/33/27/721353327.db2.gz LPBJVLWUBFCQJA-UWJYYQICSA-N 0 0 473.907 4.517 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)N1c1ccsc1 ZINC001164882640 721354527 /nfs/dbraw/zinc/35/45/27/721354527.db2.gz KJBGKBDHQAYKOI-GJZGRUSLSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)N1c1ccsc1 ZINC001164882244 721354983 /nfs/dbraw/zinc/35/49/83/721354983.db2.gz IEADRHRLSKRWRS-GJZGRUSLSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)N1c1ccsc1 ZINC001164881266 721356262 /nfs/dbraw/zinc/35/62/62/721356262.db2.gz ARQWWLLDDKBCQY-HUUCEWRRSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)C1 ZINC001164786123 721356687 /nfs/dbraw/zinc/35/66/87/721356687.db2.gz WJBRLENRBMDMJQ-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)N1c1ccsc1 ZINC001164883706 721360785 /nfs/dbraw/zinc/36/07/85/721360785.db2.gz RLZJTEFAXJSOHQ-ZWKOTPCHSA-N 0 0 464.900 4.927 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164780808 721364239 /nfs/dbraw/zinc/36/42/39/721364239.db2.gz HSKHOCDEFVLKPV-OAQYLSRUSA-N 0 0 487.016 4.726 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(C)nc(-c4ccccc4)nc3Cl)C2)C1 ZINC001164780106 721367683 /nfs/dbraw/zinc/36/76/83/721367683.db2.gz DHMQOJKQJWCYQW-SANMLTNESA-N 0 0 482.028 4.829 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787944 721373783 /nfs/dbraw/zinc/37/37/83/721373783.db2.gz YNAUJGIXVKVPRV-QHCPKHFHSA-N 0 0 476.408 4.660 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782476 721374966 /nfs/dbraw/zinc/37/49/66/721374966.db2.gz LYRSKRXPZPMSBT-SANMLTNESA-N 0 0 498.027 4.955 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779883 721382770 /nfs/dbraw/zinc/38/27/70/721382770.db2.gz CZPKBTMWDVMLGC-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780194 721382874 /nfs/dbraw/zinc/38/28/74/721382874.db2.gz FORFNGWEBYAEGY-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164788522 721383799 /nfs/dbraw/zinc/38/37/99/721383799.db2.gz ZORJTVZMMXETKX-AUSIDOKSSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782464 721383905 /nfs/dbraw/zinc/38/39/05/721383905.db2.gz LVVADGVJQSENRY-AUSIDOKSSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786194 721384817 /nfs/dbraw/zinc/38/48/17/721384817.db2.gz UHKULJRUCPXPFK-OFNKIYASSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779710 721385448 /nfs/dbraw/zinc/38/54/48/721385448.db2.gz CFUZNZNOHLQOBQ-PGRDOPGGSA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779665 721386104 /nfs/dbraw/zinc/38/61/04/721386104.db2.gz BZMRZMWWFKJWKO-AVRDEDQJSA-N 0 0 464.944 4.540 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782571 721386185 /nfs/dbraw/zinc/38/61/85/721386185.db2.gz MITHUMFQGLNWRA-JPYJTQIMSA-N 0 0 490.938 4.922 20 0 JJADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164783977 721410834 /nfs/dbraw/zinc/41/08/34/721410834.db2.gz JPTAQVTVSWHAOP-SFTDATJTSA-N 0 0 475.021 4.884 20 0 JJADRN c1csc(CN2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164787243 721424899 /nfs/dbraw/zinc/42/48/99/721424899.db2.gz PSEJQSDACKOYKA-HDICACEKSA-N 0 0 474.659 4.657 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787258 721431880 /nfs/dbraw/zinc/43/18/80/721431880.db2.gz PSICTJOCLZBRJB-QZTJIDSGSA-N 0 0 463.632 4.529 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164785768 721441842 /nfs/dbraw/zinc/44/18/42/721441842.db2.gz STYQTKQYICAJBO-JOCHJYFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)nc(Cl)n2)CCO3)cs1 ZINC001164783221 721442904 /nfs/dbraw/zinc/44/29/04/721442904.db2.gz OGSBBQJITXJGNK-ACJLOTCBSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)Oc2cccnc2Cl)CCO3)cs1 ZINC001164786547 721443495 /nfs/dbraw/zinc/44/34/95/721443495.db2.gz VJRFXUZBFUJDLW-KXBFYZLASA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(C)cc(Cl)n2)CCO3)cs1 ZINC001164782042 721444580 /nfs/dbraw/zinc/44/45/80/721444580.db2.gz IJXSYWQNAXPQTG-OXJNMPFZSA-N 0 0 457.974 4.946 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1 ZINC001164889691 721460125 /nfs/dbraw/zinc/46/01/25/721460125.db2.gz PGKWBGPZXYUKML-AABGKKOBSA-N 0 0 482.358 4.863 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)C2=O)cs1 ZINC001164884316 721460775 /nfs/dbraw/zinc/46/07/75/721460775.db2.gz AQBGXYYISSVLBH-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2=O)cs1 ZINC001164886055 721460887 /nfs/dbraw/zinc/46/08/87/721460887.db2.gz GHBWAVNSVRSRNT-IBGZPJMESA-N 0 0 483.997 4.674 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)C2=O)cs1 ZINC001164884930 721461201 /nfs/dbraw/zinc/46/12/01/721461201.db2.gz CUBMPYKHRDCCMJ-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@@H]21 ZINC001164887574 721466494 /nfs/dbraw/zinc/46/64/94/721466494.db2.gz BWUIBTRDMQLRBI-RXVVDRJESA-N 0 0 463.956 4.942 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]21 ZINC001164887575 721466830 /nfs/dbraw/zinc/46/68/30/721466830.db2.gz BWUIBTRDMQLRBI-WIYYLYMNSA-N 0 0 463.956 4.942 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@H]21 ZINC001164895008 721468180 /nfs/dbraw/zinc/46/81/80/721468180.db2.gz YVFOYSDOLHPEEV-DNVCBOLYSA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164893097 721469988 /nfs/dbraw/zinc/46/99/88/721469988.db2.gz RGHLQCUBMBVCAB-KRWDZBQOSA-N 0 0 469.923 4.878 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)C1=O ZINC001164896134 721473685 /nfs/dbraw/zinc/47/36/85/721473685.db2.gz VMTXISKDLOAHHP-UHFFFAOYSA-N 0 0 483.950 4.538 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164792609 721475543 /nfs/dbraw/zinc/47/55/43/721475543.db2.gz NZWKQFSTEPEKCA-UHFFFAOYSA-N 0 0 473.959 4.558 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164893971 721475920 /nfs/dbraw/zinc/47/59/20/721475920.db2.gz LDBHQSAOPGNRHD-JOCHJYFZSA-N 0 0 489.979 4.960 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164892682 721485335 /nfs/dbraw/zinc/48/53/35/721485335.db2.gz BDUZVPZBGATYHP-RDPSFJRHSA-N 0 0 475.967 4.624 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164791814 721485396 /nfs/dbraw/zinc/48/53/96/721485396.db2.gz FKILPHWSIPSNSV-MPBGBICISA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164793925 721485743 /nfs/dbraw/zinc/48/57/43/721485743.db2.gz XWGXKQQWYJLDTO-RNODOKPDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164793387 721486793 /nfs/dbraw/zinc/48/67/93/721486793.db2.gz RNGFXWUYILQHFQ-FKIZINRSSA-N 0 0 485.293 4.547 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164895974 721487499 /nfs/dbraw/zinc/48/74/99/721487499.db2.gz OSXIAJKPDLCYLD-LJQANCHMSA-N 0 0 484.938 4.589 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)cc1 ZINC001164896684 721487710 /nfs/dbraw/zinc/48/77/10/721487710.db2.gz QDXHJOKGSNLYNG-MRXNPFEDSA-N 0 0 472.902 4.816 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)cnc1Cl ZINC001164899675 721487782 /nfs/dbraw/zinc/48/77/82/721487782.db2.gz ZTBZRBPWNXWHGK-MRXNPFEDSA-N 0 0 472.902 4.816 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164793433 721488596 /nfs/dbraw/zinc/48/85/96/721488596.db2.gz SJEINHGPGJDOIH-GAJHUEQPSA-N 0 0 490.913 4.716 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164792262 721488968 /nfs/dbraw/zinc/48/89/68/721488968.db2.gz IJODVHZEZWELQW-VFNWGFHPSA-N 0 0 465.859 4.606 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164897963 721491286 /nfs/dbraw/zinc/49/12/86/721491286.db2.gz FSQYSEMGSDFXGD-MRXNPFEDSA-N 0 0 494.945 4.525 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)c(Cl)nn2)c1 ZINC001164899334 721491311 /nfs/dbraw/zinc/49/13/11/721491311.db2.gz JTIAHZXHWXTLFD-GOSISDBHSA-N 0 0 490.982 4.695 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3ccc(OC)nc3Cl)CC2)c2ccc(C)cc21 ZINC001164901485 721492225 /nfs/dbraw/zinc/49/22/25/721492225.db2.gz VMCZNSKDBAFRII-SFHVURJKSA-N 0 0 464.944 4.509 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897868 721492640 /nfs/dbraw/zinc/49/26/40/721492640.db2.gz FKFLXBPALHQAMN-MRXNPFEDSA-N 0 0 484.378 4.635 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164895485 721501106 /nfs/dbraw/zinc/50/11/06/721501106.db2.gz CMDBDUPKXHRFHC-QGZVFWFLSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164895482 721501122 /nfs/dbraw/zinc/50/11/22/721501122.db2.gz CMDBDUPKXHRFHC-KRWDZBQOSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164898465 721501312 /nfs/dbraw/zinc/50/13/12/721501312.db2.gz SDGXCPQZSZSXSD-MRXNPFEDSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164899209 721501471 /nfs/dbraw/zinc/50/14/71/721501471.db2.gz XDORTRPIKLBCDO-LJQANCHMSA-N 0 0 451.945 4.581 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164897444 721504355 /nfs/dbraw/zinc/50/43/55/721504355.db2.gz LYOCCQUNMRZUQI-OAHLLOKOSA-N 0 0 478.330 4.519 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164796231 721506613 /nfs/dbraw/zinc/50/66/13/721506613.db2.gz QFEFFADTUCSHBW-QVKFZJNVSA-N 0 0 451.901 4.537 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC2)N1Cc1ccncc1 ZINC001164896290 721507366 /nfs/dbraw/zinc/50/73/66/721507366.db2.gz AVAXFXFPYNYNSY-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164799878 721548563 /nfs/dbraw/zinc/54/85/63/721548563.db2.gz BNMDECYWEBAIRB-XJUOHMSHSA-N 0 0 458.940 4.696 20 0 JJADRN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809388 721566763 /nfs/dbraw/zinc/56/67/63/721566763.db2.gz WVCZUNBXPIKQJJ-YDIMBITNSA-N 0 0 473.404 4.813 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805681 721567150 /nfs/dbraw/zinc/56/71/50/721567150.db2.gz OKQIAZAAMOXMGE-VSKRKVRLSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807997 721575212 /nfs/dbraw/zinc/57/52/12/721575212.db2.gz UHCFIKHUQCSBSH-ZACQAIPSSA-N 0 0 477.770 4.850 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164800309 721576092 /nfs/dbraw/zinc/57/60/92/721576092.db2.gz DTFNPFVSJZSHIH-AKFKNWHVSA-N 0 0 475.593 4.761 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798626 721576203 /nfs/dbraw/zinc/57/62/03/721576203.db2.gz BPMJGOWCRDGYFI-UNCTUWKVSA-N 0 0 465.601 4.868 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164812297 721578387 /nfs/dbraw/zinc/57/83/87/721578387.db2.gz ZYPZHFDUFJUYMC-SXWKCWPCSA-N 0 0 477.659 4.991 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cnc1Cl ZINC001164902524 721580737 /nfs/dbraw/zinc/58/07/37/721580737.db2.gz FTRXCOOVFIXXCK-HSZRJFAPSA-N 0 0 489.929 4.752 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804337 721584460 /nfs/dbraw/zinc/58/44/60/721584460.db2.gz JMUPEPWWLAJXRL-STROYTFGSA-N 0 0 451.574 4.560 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808225 721584851 /nfs/dbraw/zinc/58/48/51/721584851.db2.gz QBYVVEGGOICOAJ-BHDDXSALSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@H]12 ZINC001164806260 721589636 /nfs/dbraw/zinc/58/96/36/721589636.db2.gz MPVHZIQOQZMZFN-NNWRFLSQSA-N 0 0 486.403 4.839 20 0 JJADRN CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810835 721589757 /nfs/dbraw/zinc/58/97/57/721589757.db2.gz WIRWEWRHHMCWKG-YFNKSVMNSA-N 0 0 480.012 4.748 20 0 JJADRN CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801638 721589945 /nfs/dbraw/zinc/58/99/45/721589945.db2.gz FDYKQUMPJNSXLR-ODGPQVTHSA-N 0 0 480.012 4.748 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804107 721591703 /nfs/dbraw/zinc/59/17/03/721591703.db2.gz IPODWJIAGAFIIV-KMDXXIMOSA-N 0 0 499.993 4.914 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800896 721591733 /nfs/dbraw/zinc/59/17/33/721591733.db2.gz DAKGZPXKIHQVDA-TZRRMPRUSA-N 0 0 499.993 4.914 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)c1 ZINC001164800891 721591789 /nfs/dbraw/zinc/59/17/89/721591789.db2.gz DAKGZPXKIHQVDA-SGNDLWITSA-N 0 0 499.993 4.914 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803409 721593072 /nfs/dbraw/zinc/59/30/72/721593072.db2.gz HZEGTFDRLPLRLL-UZUQRXQVSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)Oc2ccccc21 ZINC001164798095 721593333 /nfs/dbraw/zinc/59/33/33/721593333.db2.gz IYAWTFYCNZJHHQ-MRXNPFEDSA-N 0 0 478.971 4.682 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3cccc(Cl)n3)CC2)Oc2ccccc21 ZINC001164804871 721593353 /nfs/dbraw/zinc/59/33/53/721593353.db2.gz ZHLBEYDHPIFVCI-HXOBKFHXSA-N 0 0 461.965 4.683 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164797916 721599790 /nfs/dbraw/zinc/59/97/90/721599790.db2.gz CVOPKUSGEHLIQY-UHFFFAOYSA-N 0 0 454.308 4.625 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164802953 721599923 /nfs/dbraw/zinc/59/99/23/721599923.db2.gz UNALPIBFGRRBOG-UHFFFAOYSA-N 0 0 454.308 4.625 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164798404 721600712 /nfs/dbraw/zinc/60/07/12/721600712.db2.gz FJZUKFIIWQILLH-IRPSRAIASA-N 0 0 469.633 4.562 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798416 721600858 /nfs/dbraw/zinc/60/08/58/721600858.db2.gz FLLKCGCWDPXQDL-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)nc1Cl ZINC001164804213 721600890 /nfs/dbraw/zinc/60/08/90/721600890.db2.gz XEPZGZUNQYIFKF-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798808 721600912 /nfs/dbraw/zinc/60/09/12/721600912.db2.gz GIJSMTSJSVFORY-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164802930 721600946 /nfs/dbraw/zinc/60/09/46/721600946.db2.gz UEHQIWFMDUVZEN-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164801099 721601909 /nfs/dbraw/zinc/60/19/09/721601909.db2.gz NUSNBIVJMCXPPV-IIBYNOLFSA-N 0 0 479.984 4.897 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164804766 721604034 /nfs/dbraw/zinc/60/40/34/721604034.db2.gz ZBVWCSMQHZWMSW-KRWDZBQOSA-N 0 0 464.944 4.649 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164803204 721604036 /nfs/dbraw/zinc/60/40/36/721604036.db2.gz UOAHQEUCPQRLBI-KRWDZBQOSA-N 0 0 462.928 4.858 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164799453 721605467 /nfs/dbraw/zinc/60/54/67/721605467.db2.gz KQSZKAKPDMGJLQ-IBGZPJMESA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164802662 721605491 /nfs/dbraw/zinc/60/54/91/721605491.db2.gz SGSKDQVGLITJJT-IBGZPJMESA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164798763 721605800 /nfs/dbraw/zinc/60/58/00/721605800.db2.gz ICJTYFBAMJHYMS-HXUWFJFHSA-N 0 0 495.317 4.564 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164798488 721606114 /nfs/dbraw/zinc/60/61/14/721606114.db2.gz GYBSHGYSCSDLPH-DEOSSOPVSA-N 0 0 485.966 4.790 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009033 721691892 /nfs/dbraw/zinc/69/18/92/721691892.db2.gz NHXKWHINLGNKAR-VVWXKSFDSA-N 0 0 487.938 4.626 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001165008185 721725112 /nfs/dbraw/zinc/72/51/12/721725112.db2.gz KRAJIVSUCVSUPY-IBGZPJMESA-N 0 0 459.324 4.589 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165007627 721726777 /nfs/dbraw/zinc/72/67/77/721726777.db2.gz FVPGPSSRPCIRNM-VWLOTQADSA-N 0 0 455.672 4.521 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C[C@H]2c1ccccc1 ZINC001164909854 721739042 /nfs/dbraw/zinc/73/90/42/721739042.db2.gz DYHGOMYWWXMYEE-HTAPYJJXSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cccc(Cl)n1)C[C@H]2c1ccccc1 ZINC001164909152 721739548 /nfs/dbraw/zinc/73/95/48/721739548.db2.gz COKVIRYMJZERFY-CVDCTZTESA-N 0 0 454.908 4.702 20 0 JJADRN Cc1nc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc(Cl)c1C ZINC001164912882 721741628 /nfs/dbraw/zinc/74/16/28/721741628.db2.gz QWIRXPKGPVVYEU-GBXCKJPGSA-N 0 0 483.950 4.714 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164911343 721762643 /nfs/dbraw/zinc/76/26/43/721762643.db2.gz OJOLCHFSUCMIHZ-UHFFFAOYSA-N 0 0 496.949 4.920 20 0 JJADRN CCOc1ccc(-c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164909625 721762973 /nfs/dbraw/zinc/76/29/73/721762973.db2.gz DCUXCRAETXPMDF-UHFFFAOYSA-N 0 0 455.562 4.725 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164912296 721764580 /nfs/dbraw/zinc/76/45/80/721764580.db2.gz XSUGJHSFTBHRIJ-UHFFFAOYSA-N 0 0 475.980 4.892 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)[C@H]2C1 ZINC001165014657 721769534 /nfs/dbraw/zinc/76/95/34/721769534.db2.gz DNYHZYBCYYXCPL-WBMJQRKESA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001165014114 721770629 /nfs/dbraw/zinc/77/06/29/721770629.db2.gz AGCZAWXTFTYAGV-LRDDRELGSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)[C@@H]2C1 ZINC001165014111 721770658 /nfs/dbraw/zinc/77/06/58/721770658.db2.gz AGCZAWXTFTYAGV-BLLLJJGKSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)[C@H]2C1 ZINC001165015318 721771261 /nfs/dbraw/zinc/77/12/61/721771261.db2.gz KMUGPNIGCPRAMS-SJORKVTESA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)[C@@H]2C1 ZINC001165018117 721772390 /nfs/dbraw/zinc/77/23/90/721772390.db2.gz SLAIITDMUNCBOU-XJKSGUPXSA-N 0 0 464.925 4.737 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165018202 721772809 /nfs/dbraw/zinc/77/28/09/721772809.db2.gz UIIKPKZWMZPPNY-TZIWHRDSSA-N 0 0 487.629 4.754 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)[C@H]2C1 ZINC001165014866 721773414 /nfs/dbraw/zinc/77/34/14/721773414.db2.gz GOWLBVJRDXQZAT-BEFAXECRSA-N 0 0 476.886 4.815 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)[C@@H]2C1 ZINC001165021160 721773510 /nfs/dbraw/zinc/77/35/10/721773510.db2.gz ZUYHAZCDUUOZON-DNVCBOLYSA-N 0 0 476.886 4.815 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)c(Cl)nn1 ZINC001165018985 721773655 /nfs/dbraw/zinc/77/36/55/721773655.db2.gz VGEGCXUXMJDXML-HNAYVOBHSA-N 0 0 488.922 4.685 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)[C@@H]2C1 ZINC001165014867 721773692 /nfs/dbraw/zinc/77/36/92/721773692.db2.gz GOWLBVJRDXQZAT-DNVCBOLYSA-N 0 0 476.886 4.815 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165016988 721784056 /nfs/dbraw/zinc/78/40/56/721784056.db2.gz FWPNMWAJJOQEGI-OAQYLSRUSA-N 0 0 478.330 4.900 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001165018547 721785997 /nfs/dbraw/zinc/78/59/97/721785997.db2.gz IZQYXHNAGUSDEJ-OAQYLSRUSA-N 0 0 475.952 4.822 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2CN1c1cccnc1 ZINC001165019935 721791002 /nfs/dbraw/zinc/79/10/02/721791002.db2.gz KUKVLCFKWGLLQM-PWSUYJOCSA-N 0 0 484.721 4.629 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915403 721802241 /nfs/dbraw/zinc/80/22/41/721802241.db2.gz JVNXOYHADUQCSW-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164917274 721803030 /nfs/dbraw/zinc/80/30/30/721803030.db2.gz UHETXMQRXPOVFP-QGZVFWFLSA-N 0 0 461.916 4.534 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCc3ncnc(C4CC4)c3CC2)c(Cl)nn1 ZINC001164917684 721804193 /nfs/dbraw/zinc/80/41/93/721804193.db2.gz WVJDANWHJOQUJP-UHFFFAOYSA-N 0 0 457.912 4.623 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCc4ncnc(C5CC5)c4CC3)c(Cl)nn2)cc1 ZINC001164916532 721804200 /nfs/dbraw/zinc/80/42/00/721804200.db2.gz QBEKQFDJEOSLTP-UHFFFAOYSA-N 0 0 457.912 4.623 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914170 721805577 /nfs/dbraw/zinc/80/55/77/721805577.db2.gz ATTNFLFYFHHMGK-FOIQADDNSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916149 721806947 /nfs/dbraw/zinc/80/69/47/721806947.db2.gz NZCOWYIRFUXMDI-SJKOYZFVSA-N 0 0 450.700 4.799 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917369 721807817 /nfs/dbraw/zinc/80/78/17/721807817.db2.gz VTNPWQGRBNNPNJ-DENIHFKCSA-N 0 0 458.896 4.554 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918188 721807978 /nfs/dbraw/zinc/80/79/78/721807978.db2.gz PJZIICDOGJFSEL-KSFYIVLOSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915476 721808747 /nfs/dbraw/zinc/80/87/47/721808747.db2.gz BCEPKLIZFCUZGQ-AXAPSJFSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164918549 721809146 /nfs/dbraw/zinc/80/91/46/721809146.db2.gz RIFNCGSFNRCNFI-DETPVDSQSA-N 0 0 450.338 4.590 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)nc12 ZINC001164918214 721809518 /nfs/dbraw/zinc/80/95/18/721809518.db2.gz PNUNIGPNRVDWHH-CDHAZOANSA-N 0 0 484.931 4.624 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164918586 721810164 /nfs/dbraw/zinc/81/01/64/721810164.db2.gz RTBHVFGJGALWPP-GDZNZVCISA-N 0 0 461.987 4.659 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)c2c1C ZINC001164916290 721810724 /nfs/dbraw/zinc/81/07/24/721810724.db2.gz GKNYBWMOMJOTJD-SELNLUPBSA-N 0 0 499.706 4.561 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164916722 721811505 /nfs/dbraw/zinc/81/15/05/721811505.db2.gz IZJPSYMKOVUDER-AXAPSJFSSA-N 0 0 483.890 4.956 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164916726 721811524 /nfs/dbraw/zinc/81/15/24/721811524.db2.gz IZJPSYMKOVUDER-PVXIVEMSSA-N 0 0 483.890 4.956 20 0 JJADRN FC(F)(N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164918856 721811748 /nfs/dbraw/zinc/81/17/48/721811748.db2.gz UGRRRLPPRBLPIG-IDHHARJASA-N 0 0 455.958 4.512 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc32)CC1 ZINC001164917266 721818798 /nfs/dbraw/zinc/81/87/98/721818798.db2.gz FTBWCRSVZKMPKC-UHFFFAOYSA-N 0 0 452.606 4.860 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164927255 721838520 /nfs/dbraw/zinc/83/85/20/721838520.db2.gz TWFRRWQKJOAPLG-BTYIYWSLSA-N 0 0 481.330 4.546 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc3c(Cl)ncnc3c2)CC1 ZINC001165019332 721838989 /nfs/dbraw/zinc/83/89/89/721838989.db2.gz DKUBSRQMGIWARP-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164921146 721839241 /nfs/dbraw/zinc/83/92/41/721839241.db2.gz CAUNLKBHNFDNDC-QKKBWIMNSA-N 0 0 481.330 4.546 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164919653 721841014 /nfs/dbraw/zinc/84/10/14/721841014.db2.gz BXAQZZRAJHODFN-YADARESESA-N 0 0 486.950 4.715 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164922873 721841383 /nfs/dbraw/zinc/84/13/83/721841383.db2.gz RYLOCCFXOKUVDL-UZUQRXQVSA-N 0 0 463.956 4.613 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165020350 721843021 /nfs/dbraw/zinc/84/30/21/721843021.db2.gz CRCRWGKEBJVSEF-UHFFFAOYSA-N 0 0 497.970 4.575 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC1 ZINC001165020434 721843171 /nfs/dbraw/zinc/84/31/71/721843171.db2.gz DNPNWDNHRDOTLD-UHFFFAOYSA-N 0 0 464.944 4.879 20 0 JJADRN CN1C(=O)CC[C@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932838 721893464 /nfs/dbraw/zinc/89/34/64/721893464.db2.gz JAXVCKWEAYKKEH-RTWAWAEBSA-N 0 0 461.635 4.544 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC2)c2ccccc21)N1CCCC1 ZINC001164927064 721899627 /nfs/dbraw/zinc/89/96/27/721899627.db2.gz FXFFJHASCDXBEO-UHFFFAOYSA-N 0 0 495.961 4.781 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)CC3)n1 ZINC001164933232 721903789 /nfs/dbraw/zinc/90/37/89/721903789.db2.gz JTWKRXOOYHYLAF-UHFFFAOYSA-N 0 0 487.982 4.552 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164936553 721910895 /nfs/dbraw/zinc/91/08/95/721910895.db2.gz XMXYMDPWKPNWMQ-BEFAXECRSA-N 0 0 472.898 4.832 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937047 721915345 /nfs/dbraw/zinc/91/53/45/721915345.db2.gz FXAMYAPKGZPKFZ-UHFFFAOYSA-N 0 0 454.912 4.799 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165045088 721940192 /nfs/dbraw/zinc/94/01/92/721940192.db2.gz SCANHRYIDBVAJA-UHFFFAOYSA-N 0 0 477.302 4.858 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164941758 721949331 /nfs/dbraw/zinc/94/93/31/721949331.db2.gz IMQPTLHJZUVQIG-BJKOFHAPSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164949611 721952150 /nfs/dbraw/zinc/95/21/50/721952150.db2.gz VBRFNPUJQSWYIM-UXHICEINSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C[C@@H]21 ZINC001164947936 721956075 /nfs/dbraw/zinc/95/60/75/721956075.db2.gz RACLASBWCJQONO-LEWJYISDSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164942509 721956420 /nfs/dbraw/zinc/95/64/20/721956420.db2.gz DYBCTMBYYYMFQA-RBUKOAKNSA-N 0 0 493.658 4.603 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164943271 721959960 /nfs/dbraw/zinc/95/99/60/721959960.db2.gz HJALMUSPIDDJPD-GOTSBHOMSA-N 0 0 487.629 4.930 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc(C5CCCCC5)cc4)nn3)C[C@H]21 ZINC001164943601 721960957 /nfs/dbraw/zinc/96/09/57/721960957.db2.gz IISQRDUGNBBPCD-SXOMAYOGSA-N 0 0 473.621 4.886 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]21 ZINC001164942388 721962068 /nfs/dbraw/zinc/96/20/68/721962068.db2.gz BKPBELJEOZEWCY-UNMCSNQZSA-N 0 0 490.938 4.521 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]21 ZINC001164944135 721964564 /nfs/dbraw/zinc/96/45/64/721964564.db2.gz HLXZSTPJNRLHBD-MOPGFXCFSA-N 0 0 480.968 4.703 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c1 ZINC001164944871 721966999 /nfs/dbraw/zinc/96/69/99/721966999.db2.gz KCLGOKIGMYOXKF-PZJWPPBQSA-N 0 0 451.970 4.771 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]12 ZINC001164947760 721967391 /nfs/dbraw/zinc/96/73/91/721967391.db2.gz RGNDEEBQUIJIQP-URXFXBBRSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]12 ZINC001164947763 721967439 /nfs/dbraw/zinc/96/74/39/721967439.db2.gz RGNDEEBQUIJIQP-ZJSXRUAMSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]12 ZINC001164949798 721967717 /nfs/dbraw/zinc/96/77/17/721967717.db2.gz YSVPVXLFGRTJIK-URXFXBBRSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@@H]12 ZINC001164949885 721967931 /nfs/dbraw/zinc/96/79/31/721967931.db2.gz ZFVORDJLBYTUHU-XLIONFOSSA-N 0 0 456.320 4.582 20 0 JJADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001165050272 721982590 /nfs/dbraw/zinc/98/25/90/721982590.db2.gz SEBNEWMLJYHBJZ-UHFFFAOYSA-N 0 0 474.895 4.996 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(Cl)nn1 ZINC001165051845 721993860 /nfs/dbraw/zinc/99/38/60/721993860.db2.gz MXSBWACXFMEAMA-AWEZNQCLSA-N 0 0 453.917 4.909 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164951394 721998435 /nfs/dbraw/zinc/99/84/35/721998435.db2.gz MQVKPDNGIVHCIV-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164950803 721999778 /nfs/dbraw/zinc/99/97/78/721999778.db2.gz JRFBMHIMNJKHJZ-SLYNCCJLSA-N 0 0 490.963 4.570 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@H]21 ZINC001164953990 722005505 /nfs/dbraw/zinc/00/55/05/722005505.db2.gz UHVBVRUHSZRUBN-RDJZCZTQSA-N 0 0 473.911 4.549 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164952603 722006149 /nfs/dbraw/zinc/00/61/49/722006149.db2.gz NULZHNIJTTVBDP-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164952538 722006653 /nfs/dbraw/zinc/00/66/53/722006653.db2.gz NLNZIESMWNYKHJ-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cc(C)nc(Cl)c2)C3)n1 ZINC001164957394 722025742 /nfs/dbraw/zinc/02/57/42/722025742.db2.gz BOGQNZNCHZHINW-RBBKRZOGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164964771 722026066 /nfs/dbraw/zinc/02/60/66/722026066.db2.gz YGNOBTOSEZXBGN-OXJNMPFZSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164964776 722026126 /nfs/dbraw/zinc/02/61/26/722026126.db2.gz YGNOBTOSEZXBGN-UZLBHIALSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cc(Cl)ncc2F)C3)n1 ZINC001164964129 722026547 /nfs/dbraw/zinc/02/65/47/722026547.db2.gz VNVRELSJOPSZIA-FPOVZHCZSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)n1 ZINC001164962716 722026822 /nfs/dbraw/zinc/02/68/22/722026822.db2.gz RMJOHDAIRIDHGK-NFBKMPQASA-N 0 0 489.954 4.519 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)n1 ZINC001164958076 722027122 /nfs/dbraw/zinc/02/71/22/722027122.db2.gz FKVJRZKFYNGNAJ-REWPJTCUSA-N 0 0 489.954 4.519 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164958951 722028516 /nfs/dbraw/zinc/02/85/16/722028516.db2.gz HEJZWTSBVNJHOP-BRWVUGGUSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164958675 722028921 /nfs/dbraw/zinc/02/89/21/722028921.db2.gz PIRLOLFJGAAVLU-INMHGKMJSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164962632 722028990 /nfs/dbraw/zinc/02/89/90/722028990.db2.gz YJFQNACMNVAIDS-BBWFWOEESA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164960933 722029883 /nfs/dbraw/zinc/02/98/83/722029883.db2.gz VBTKTDHQBQDJTR-SFHLNBCPSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164957439 722030300 /nfs/dbraw/zinc/03/03/00/722030300.db2.gz LZZFNZLQGMPFDI-QXAKKESOSA-N 0 0 465.859 4.889 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164957453 722035748 /nfs/dbraw/zinc/03/57/48/722035748.db2.gz MALIDHFYAVVDMR-RDGATRHJSA-N 0 0 498.961 4.883 20 0 JJADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4cccc(C(F)(F)F)c4)nnc3Cl)C[C@H]21 ZINC001164960932 722040203 /nfs/dbraw/zinc/04/02/03/722040203.db2.gz KPFZFRCCQXPZCS-HALDLXJZSA-N 0 0 474.861 4.568 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3O2)n1 ZINC001164962251 722042480 /nfs/dbraw/zinc/04/24/80/722042480.db2.gz OAQKPCMTSMMYAS-LJHODMEESA-N 0 0 464.875 4.614 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)CC2=O)s1 ZINC001164959141 722043973 /nfs/dbraw/zinc/04/39/73/722043973.db2.gz HLEDFOBTMLCDSQ-HXUWFJFHSA-N 0 0 466.916 4.971 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(c4nc(CN5CCCC5)nc5sc(C)c(C)c54)C3)CC2=O)s1 ZINC001164963545 722044331 /nfs/dbraw/zinc/04/43/31/722044331.db2.gz RWHFPCMGAPFEDE-VWLOTQADSA-N 0 0 481.691 4.907 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)CC2=O)s1 ZINC001164964873 722044483 /nfs/dbraw/zinc/04/44/83/722044483.db2.gz VWGNZYKDFRADKW-OAQYLSRUSA-N 0 0 475.952 4.740 20 0 JJADRN FC(F)(COc1ccnc(Cl)c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960412 722049832 /nfs/dbraw/zinc/04/98/32/722049832.db2.gz VZCUJBFLFDTGID-UHFFFAOYSA-N 0 0 470.911 4.691 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccnc(Cl)c2F)[C@H]3C)c1 ZINC001164966454 722062769 /nfs/dbraw/zinc/06/27/69/722062769.db2.gz UDCXUPKTQQXREB-AWEZNQCLSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)ccc2F)[C@H]3C)c1 ZINC001164965997 722062900 /nfs/dbraw/zinc/06/29/00/722062900.db2.gz MYDUFMYOUKVIPK-AWEZNQCLSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(c2nc(Cl)ccc2CN2CCCC2)[C@H]3C)c1 ZINC001164966154 722063152 /nfs/dbraw/zinc/06/31/52/722063152.db2.gz OVLFTEXWKAVANQ-IBGZPJMESA-N 0 0 467.017 4.529 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164965201 722064105 /nfs/dbraw/zinc/06/41/05/722064105.db2.gz JHFKVQGSWOKBKM-RTBURBONSA-N 0 0 460.937 4.897 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164966689 722065418 /nfs/dbraw/zinc/06/54/18/722065418.db2.gz WSJIUGCUSQDQKL-PMACEKPBSA-N 0 0 490.963 4.809 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164965881 722066438 /nfs/dbraw/zinc/06/64/38/722066438.db2.gz QQLSRMINXOYYEM-UHFFFAOYSA-N 0 0 498.024 4.851 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164965902 722066887 /nfs/dbraw/zinc/06/68/87/722066887.db2.gz RIYWOTFCGMVWHO-UHFFFAOYSA-N 0 0 482.906 4.746 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164967393 722078535 /nfs/dbraw/zinc/07/85/35/722078535.db2.gz DKPRRLQIMKRJMX-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969706 722082444 /nfs/dbraw/zinc/08/24/44/722082444.db2.gz RDTYICPLLGOLRI-FCHUYYIVSA-N 0 0 489.925 4.826 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@@H]2C1 ZINC001164976804 722084923 /nfs/dbraw/zinc/08/49/23/722084923.db2.gz WWXXOPRUASMAGY-STQMWFEESA-N 0 0 455.336 4.613 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164977643 722085990 /nfs/dbraw/zinc/08/59/90/722085990.db2.gz XKGWPACTGWVQMA-WOJBJXKFSA-N 0 0 475.662 4.551 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2c2ccccc21 ZINC001164975846 722091024 /nfs/dbraw/zinc/09/10/24/722091024.db2.gz RAMIGTRZBKTMLO-KDOFPFPSSA-N 0 0 479.936 4.540 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164978817 722091357 /nfs/dbraw/zinc/09/13/57/722091357.db2.gz YBXUSRIJLMYOCU-OAQYLSRUSA-N 0 0 480.056 4.559 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]21 ZINC001164985746 722097345 /nfs/dbraw/zinc/09/73/45/722097345.db2.gz WKPZEDBIWIWUAP-QHAWAJNXSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]21 ZINC001164982095 722097706 /nfs/dbraw/zinc/09/77/06/722097706.db2.gz MVPLSYKZLZLVOZ-BBTUJRGHSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]21 ZINC001164976404 722097866 /nfs/dbraw/zinc/09/78/66/722097866.db2.gz CUNWMWNWESMDBQ-SVFBPWRDSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001164976497 722097867 /nfs/dbraw/zinc/09/78/67/722097867.db2.gz DNYNOGMFAFMPBF-WOIUINJBSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]21 ZINC001164981726 722098169 /nfs/dbraw/zinc/09/81/69/722098169.db2.gz MAYOIUPEUOMVAP-YPAWHYETSA-N 0 0 483.950 4.888 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164974775 722161288 /nfs/dbraw/zinc/16/12/88/722161288.db2.gz QCIDAXFVQDCVLJ-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1=O ZINC001164976675 722162982 /nfs/dbraw/zinc/16/29/82/722162982.db2.gz COKBNKQBEFFXLF-JOCHJYFZSA-N 0 0 458.871 4.606 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c(Cl)nn2)c1 ZINC001164978442 722162988 /nfs/dbraw/zinc/16/29/88/722162988.db2.gz HURCGJCJIGUDOK-HSZRJFAPSA-N 0 0 454.908 4.775 20 0 JJADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1=O ZINC001164976683 722163113 /nfs/dbraw/zinc/16/31/13/722163113.db2.gz COKBNKQBEFFXLF-QFIPXVFZSA-N 0 0 458.871 4.606 20 0 JJADRN Clc1nc2c(c(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164977601 722164585 /nfs/dbraw/zinc/16/45/85/722164585.db2.gz GEWQXMAUKLZSGQ-CUNXSJBXSA-N 0 0 483.056 4.981 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164980982 722165409 /nfs/dbraw/zinc/16/54/09/722165409.db2.gz ZLRCQUFVCKLMGV-UTKZUKDTSA-N 0 0 452.933 4.558 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164978043 722170462 /nfs/dbraw/zinc/17/04/62/722170462.db2.gz PFCXWKFDRXLTJU-WOIUINJBSA-N 0 0 460.956 4.976 20 0 JJADRN c1ccc(CN2CCc3c(ncnc3N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)C2)cc1 ZINC001164980475 722170580 /nfs/dbraw/zinc/17/05/80/722170580.db2.gz YIYFPBZRWUPMLE-PBWSGDRGSA-N 0 0 452.602 4.736 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)cnc1Cl ZINC001164977959 722172102 /nfs/dbraw/zinc/17/21/02/722172102.db2.gz OLCSHUSHJLCAKE-SBHAEUEKSA-N 0 0 482.980 4.775 20 0 JJADRN C(OC1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2)C1CC1 ZINC001164976920 722172695 /nfs/dbraw/zinc/17/26/95/722172695.db2.gz KUYGAINIEQPHFO-UHFFFAOYSA-N 0 0 482.694 4.578 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)CC[C@@H]32)cs1 ZINC001164989605 722176245 /nfs/dbraw/zinc/17/62/45/722176245.db2.gz ULTKMCNEDZHCIP-JKSUJKDBSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)CC[C@H]32)cs1 ZINC001164984143 722176351 /nfs/dbraw/zinc/17/63/51/722176351.db2.gz DCXUXDDYMOEFJB-SJORKVTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[C@@H]32)cs1 ZINC001164988973 722178366 /nfs/dbraw/zinc/17/83/66/722178366.db2.gz STCNLKAOHAKYJN-HOTGVXAUSA-N 0 0 486.013 4.524 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)CC[C@H]32)cs1 ZINC001164984483 722178385 /nfs/dbraw/zinc/17/83/85/722178385.db2.gz FAAZEXGJPPPTFP-QZTJIDSGSA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccc(Cl)cc5nc4Cl)CC[C@@H]32)cs1 ZINC001164990940 722179800 /nfs/dbraw/zinc/17/98/00/722179800.db2.gz WURDQDWOFYSMTK-RBUKOAKNSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cccc(Cl)c54)CC[C@@H]32)cs1 ZINC001164987398 722181599 /nfs/dbraw/zinc/18/15/99/722181599.db2.gz HPTMBBBNXXQKJN-ROUUACIJSA-N 0 0 464.422 4.571 20 0 JJADRN COc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c2cc(Cl)ccc12 ZINC001164990001 722181783 /nfs/dbraw/zinc/18/17/83/722181783.db2.gz NFXNNPGYNVGXPI-LEWJYISDSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cncc(Sc5cccc(C)c5)n4)CC[C@H]32)cs1 ZINC001164989904 722184565 /nfs/dbraw/zinc/18/45/65/722184565.db2.gz MMCAQNCGRLTMKD-YADHBBJMSA-N 0 0 467.664 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)CC[C@@H]32)cs1 ZINC001164985259 722186189 /nfs/dbraw/zinc/18/61/89/722186189.db2.gz AZMHMGTWMYWLCF-HOTGVXAUSA-N 0 0 496.933 4.933 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cc5ccc(Cl)cc5)c(C)n4)CC[C@@H]32)cs1 ZINC001164987612 722186212 /nfs/dbraw/zinc/18/62/12/722186212.db2.gz KPYYITKHJLEYFS-DQEYMECFSA-N 0 0 498.096 4.972 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4cccc(C)c4)CC[C@@H]32)cs1 ZINC001164988098 722186472 /nfs/dbraw/zinc/18/64/72/722186472.db2.gz LPFKVGFEERTDBX-RBBKRZOGSA-N 0 0 486.041 4.865 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]12 ZINC001164993369 722187095 /nfs/dbraw/zinc/18/70/95/722187095.db2.gz ZAQUODHAIXKDNA-REWPJTCUSA-N 0 0 491.991 4.615 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]12 ZINC001164992602 722187194 /nfs/dbraw/zinc/18/71/94/722187194.db2.gz UQMNKKSKPBPBEE-JTHBVZDNSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164988295 722187485 /nfs/dbraw/zinc/18/74/85/722187485.db2.gz DFHLVDCQLDYZPP-GOSISDBHSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164988773 722187502 /nfs/dbraw/zinc/18/75/02/722187502.db2.gz GHKKWHQDLRDJDS-INIZCTEOSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164990240 722187591 /nfs/dbraw/zinc/18/75/91/722187591.db2.gz KWPQCJYGSOUUQU-MRXNPFEDSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164989727 722187594 /nfs/dbraw/zinc/18/75/94/722187594.db2.gz JKEVPZFGFKCGKV-SFHVURJKSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164990298 722187616 /nfs/dbraw/zinc/18/76/16/722187616.db2.gz LITRIHNTGURCNY-INIZCTEOSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164988776 722187840 /nfs/dbraw/zinc/18/78/40/722187840.db2.gz GIACXDXQYCSUEX-GOSISDBHSA-N 0 0 467.944 4.641 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC1)C(=O)N2 ZINC001164990028 722187908 /nfs/dbraw/zinc/18/79/08/722187908.db2.gz IOLLVPFDDSHYMP-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C(=O)Nc2ccc(C(=O)NC(C)C)cc23)c1 ZINC001164992121 722187935 /nfs/dbraw/zinc/18/79/35/722187935.db2.gz WNQNERIIRROELL-UHFFFAOYSA-N 0 0 494.995 4.630 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)Sc3ccc(Cl)nc3)CC1)C(=O)N2 ZINC001164989932 722187986 /nfs/dbraw/zinc/18/79/86/722187986.db2.gz GESYUSJBDHSPET-UHFFFAOYSA-N 0 0 480.968 4.502 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164992133 722189211 /nfs/dbraw/zinc/18/92/11/722189211.db2.gz WSUUOPDKLBEMDZ-UHFFFAOYSA-N 0 0 488.922 4.697 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001164992269 722189288 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GEZVKPDYRCWAKH-QGZVFWFLSA-N 0 0 467.347 4.908 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1Cl ZINC001164998266 722221035 /nfs/dbraw/zinc/22/10/35/722221035.db2.gz HURHMRGORZINGS-HXUWFJFHSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164996883 722221604 /nfs/dbraw/zinc/22/16/04/722221604.db2.gz BPJRARQUQVFPNJ-NRFANRHFSA-N 0 0 483.950 4.803 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@@H]1Cc1cnn(C)c1 ZINC001164997912 722223026 /nfs/dbraw/zinc/22/30/26/722223026.db2.gz DXVMFTOSVKQVOY-FGZHOGPDSA-N 0 0 476.955 4.533 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001165000041 722225843 /nfs/dbraw/zinc/22/58/43/722225843.db2.gz PKRXRSOJFKXJAO-DHIUTWEWSA-N 0 0 490.982 4.842 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(-c3ccccc3)nnc2Cl)n1 ZINC001164998322 722227169 /nfs/dbraw/zinc/22/71/69/722227169.db2.gz AFDNLVPPJWLJEA-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)n1 ZINC001164998867 722227193 /nfs/dbraw/zinc/22/71/93/722227193.db2.gz FWGRLUWLBKMJOI-HXUWFJFHSA-N 0 0 495.697 4.508 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CCO2 ZINC001165001180 722248876 /nfs/dbraw/zinc/24/88/76/722248876.db2.gz NLRNGJCDGZNNSJ-JOCHJYFZSA-N 0 0 461.896 4.538 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3c(Cl)nccc3c1)CCO2 ZINC001165002136 722249859 /nfs/dbraw/zinc/24/98/59/722249859.db2.gz XFCAYOUTCHODOI-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CC3)cs1 ZINC001165009394 722273218 /nfs/dbraw/zinc/27/32/18/722273218.db2.gz PSSGINQGJOIUEZ-GOSISDBHSA-N 0 0 469.985 4.965 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001165009043 722273309 /nfs/dbraw/zinc/27/33/09/722273309.db2.gz NIZQIPFOEZCZEH-HNNXBMFYSA-N 0 0 480.364 4.923 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008499 722273503 /nfs/dbraw/zinc/27/35/03/722273503.db2.gz KBFSWRPCMCHCAE-JOTOCRJQSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007489 722273520 /nfs/dbraw/zinc/27/35/20/722273520.db2.gz CMUANMXUNJWVSW-DUXSXAKTSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007139 722273547 /nfs/dbraw/zinc/27/35/47/722273547.db2.gz BCBHXKNKIXUROU-YXKFXFPPSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008418 722273572 /nfs/dbraw/zinc/27/35/72/722273572.db2.gz JABPFOQGIQAARQ-BIFSNJIPSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007164 722274022 /nfs/dbraw/zinc/27/40/22/722274022.db2.gz BUDGHDGVHGULAK-ZNRXUEPQSA-N 0 0 487.938 4.626 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)cc(I)c1C)[C@H]1CC1(C)C ZINC001436877542 1065462572 /nfs/dbraw/zinc/46/25/72/1065462572.db2.gz CAMUOYDPNWFQME-OCCSQVGLSA-N 0 0 450.158 4.917 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3nccs3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359712500 1064260961 /nfs/dbraw/zinc/26/09/61/1064260961.db2.gz WADPNYOVPMWNDP-UHFFFAOYSA-N 0 0 480.560 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1SCCc2ccccc21 ZINC001545850140 1064261352 /nfs/dbraw/zinc/26/13/52/1064261352.db2.gz ZYXZUKLNNZUZDE-KGVIQGDOSA-N 0 0 455.672 4.852 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359713243 1064261536 /nfs/dbraw/zinc/26/15/36/1064261536.db2.gz DWLKNHCAOSKOJQ-UHFFFAOYSA-N 0 0 497.043 4.638 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1C[C@H]1CCCC1(C)C ZINC001359713463 1064261798 /nfs/dbraw/zinc/26/17/98/1064261798.db2.gz NRRSNRYRBSXXFB-QGZVFWFLSA-N 0 0 462.013 4.983 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359713580 1064261924 /nfs/dbraw/zinc/26/19/24/1064261924.db2.gz QYPJBRWZWONSPQ-HSZRJFAPSA-N 0 0 481.044 4.852 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCCOC1CCCC1 ZINC001359713456 1064261948 /nfs/dbraw/zinc/26/19/48/1064261948.db2.gz NBSUEOJEHDPUOY-UHFFFAOYSA-N 0 0 478.012 4.506 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](CC)C2)n1Cc1ccccc1OC1CCCC1 ZINC001545851841 1064262273 /nfs/dbraw/zinc/26/22/73/1064262273.db2.gz KIOJTHIVADGCHJ-KNQAVFIVSA-N 0 0 483.657 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](CC)C2)n1Cc1ccccc1OC1CCCC1 ZINC001545851840 1064262282 /nfs/dbraw/zinc/26/22/82/1064262282.db2.gz KIOJTHIVADGCHJ-DENIHFKCSA-N 0 0 483.657 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCc1ccccc1C ZINC001545851686 1064262409 /nfs/dbraw/zinc/26/24/09/1064262409.db2.gz HVIFONDSEZFRCS-WMZHIEFXSA-N 0 0 481.666 4.776 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359713634 1064262359 /nfs/dbraw/zinc/26/23/59/1064262359.db2.gz SVECBNDKGKECKK-HOTGVXAUSA-N 0 0 485.501 4.936 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1Cc1cc(F)ccc1F ZINC001545852486 1064262679 /nfs/dbraw/zinc/26/26/79/1064262679.db2.gz UHHHQZJLHAWVQM-VFNWGFHPSA-N 0 0 489.592 4.551 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(c2ccc(F)cc2)CC1 ZINC001359714558 1064262774 /nfs/dbraw/zinc/26/27/74/1064262774.db2.gz AYXUFKHHMNZAHA-GOSISDBHSA-N 0 0 457.594 4.718 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359714716 1064262836 /nfs/dbraw/zinc/26/28/36/1064262836.db2.gz FQDCVAAWZINVET-UHFFFAOYSA-N 0 0 453.509 4.526 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CC1CCC(OC)CC1 ZINC001545854751 1064263655 /nfs/dbraw/zinc/26/36/55/1064263655.db2.gz LTKQJMLUEXTTJI-FNPRIKKZSA-N 0 0 467.658 4.784 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001359715360 1064263721 /nfs/dbraw/zinc/26/37/21/1064263721.db2.gz YLNHKDLUKDUHQA-VQTJNVASSA-N 0 0 461.651 4.729 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359715602 1064263864 /nfs/dbraw/zinc/26/38/64/1064263864.db2.gz FXJFJLKNJFZGBR-TZIWHRDSSA-N 0 0 453.660 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCc1csc(-c2ccccc2)n1 ZINC001545855480 1064264095 /nfs/dbraw/zinc/26/40/95/1064264095.db2.gz WOPRLUYDTUGPEM-QZTJIDSGSA-N 0 0 498.722 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545855068 1064264171 /nfs/dbraw/zinc/26/41/71/1064264171.db2.gz QKESIQGHLQTGAP-HZPDHXFCSA-N 0 0 499.603 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001545855460 1064264198 /nfs/dbraw/zinc/26/41/98/1064264198.db2.gz WIWNXIBYNYEAFQ-IYBDPMFKSA-N 0 0 494.503 4.532 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001359715763 1064264155 /nfs/dbraw/zinc/26/41/55/1064264155.db2.gz KXLHAIMVTZVSQE-OPAMFIHVSA-N 0 0 485.982 4.951 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359715637 1064264325 /nfs/dbraw/zinc/26/43/25/1064264325.db2.gz HGBLSFBCCQCVKZ-MAUKXSAKSA-N 0 0 453.484 4.687 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359716212 1064264667 /nfs/dbraw/zinc/26/46/67/1064264667.db2.gz ZCEVZYDBRBHKHL-HOYKHHGWSA-N 0 0 474.074 4.907 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359716105 1064264721 /nfs/dbraw/zinc/26/47/21/1064264721.db2.gz VVACPXOEOZFDTD-LJQANCHMSA-N 0 0 453.656 4.622 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCCC1CCOCC1 ZINC001359716194 1064264733 /nfs/dbraw/zinc/26/47/33/1064264733.db2.gz YOZFGQJMWAWFSW-LJQANCHMSA-N 0 0 461.601 4.770 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359716214 1064265134 /nfs/dbraw/zinc/26/51/34/1064265134.db2.gz 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CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CC1(C)CCC1 ZINC001545857109 1064265942 /nfs/dbraw/zinc/26/59/42/1064265942.db2.gz OMRLYDQQBVQSBM-UHFFFAOYSA-N 0 0 460.420 4.669 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCc1cc2ccccc2s1 ZINC001359718895 1064266101 /nfs/dbraw/zinc/26/61/01/1064266101.db2.gz VASOYZMACJEGGC-UHFFFAOYSA-N 0 0 469.552 4.881 20 0 JJADRN CC(C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359718116 1064266282 /nfs/dbraw/zinc/26/62/82/1064266282.db2.gz SMJGKGVESAYBAT-UHFFFAOYSA-N 0 0 499.031 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1C[C@H](C)Cc1cccs1 ZINC001545857518 1064266560 /nfs/dbraw/zinc/26/65/60/1064266560.db2.gz YDYABDVFLWPIAU-RTBURBONSA-N 0 0 481.666 4.924 20 0 JJADRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001545858769 1064267066 /nfs/dbraw/zinc/26/70/66/1064267066.db2.gz WZSIDMRDVHBSJW-HOTGVXAUSA-N 0 0 458.580 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCSCC(F)(F)F 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CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001545865527 1064273731 /nfs/dbraw/zinc/27/37/31/1064273731.db2.gz DQVISFXMJQIHED-VXKWHMMOSA-N 0 0 481.685 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001545865526 1064273756 /nfs/dbraw/zinc/27/37/56/1064273756.db2.gz DQVISFXMJQIHED-FGZHOGPDSA-N 0 0 481.685 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001545865595 1064273849 /nfs/dbraw/zinc/27/38/49/1064273849.db2.gz GXGRJNFUIPCQCB-DEOSSOPVSA-N 0 0 460.692 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CC1(c2ccc(OC)cc2)CCC1 ZINC001545865592 1064273861 /nfs/dbraw/zinc/27/38/61/1064273861.db2.gz GSYJSEDFECFNMA-UHFFFAOYSA-N 0 0 465.642 4.874 20 0 JJADRN CC(C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359727624 1064274044 /nfs/dbraw/zinc/27/40/44/1064274044.db2.gz AXADNZVBQCWCCZ-MRXNPFEDSA-N 0 0 456.419 4.911 20 0 JJADRN CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2s1 ZINC001359727503 1064274182 /nfs/dbraw/zinc/27/41/82/1064274182.db2.gz WVQLDXVYMGLQEL-SFHVURJKSA-N 0 0 455.628 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001545865664 1064274325 /nfs/dbraw/zinc/27/43/25/1064274325.db2.gz ISUHRQRPUIGYBM-UHFFFAOYSA-N 0 0 466.001 4.694 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1nccs1 ZINC001359727793 1064274784 /nfs/dbraw/zinc/27/47/84/1064274784.db2.gz HFDLROFQFLGJKU-BHIYHBOVSA-N 0 0 474.675 4.791 20 0 JJADRN CC(C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359727723 1064274905 /nfs/dbraw/zinc/27/49/05/1064274905.db2.gz FBXALHXQKNTHBJ-RDJZCZTQSA-N 0 0 465.549 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1Cc1c(F)cccc1N1CCCC1 ZINC001545865936 1064275036 /nfs/dbraw/zinc/27/50/36/1064275036.db2.gz PZDUQFUAYLZETD-AREMUKBSSA-N 0 0 470.637 4.611 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cc2)C1 ZINC001359728356 1064275368 /nfs/dbraw/zinc/27/53/68/1064275368.db2.gz BQRZRBVKMZSRFV-SFHVURJKSA-N 0 0 468.989 4.530 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CCOC3CCCCCC3)CC2)n1 ZINC001359728343 1064275562 /nfs/dbraw/zinc/27/55/62/1064275562.db2.gz BNQBHJHBNAHRQZ-FQEVSTJZSA-N 0 0 473.666 4.531 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3)CC2)n1 ZINC001359728494 1064275930 /nfs/dbraw/zinc/27/59/30/1064275930.db2.gz DZBPQQALQZMZLE-NRFANRHFSA-N 0 0 479.673 4.889 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@H]3C)CC2)n1 ZINC001359728414 1064275974 /nfs/dbraw/zinc/27/59/74/1064275974.db2.gz CQKOAIOPNZQYSI-HSALFYBXSA-N 0 0 457.667 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CC1(c2ccc(OC)cc2)CCC1 ZINC001545866215 1064276180 /nfs/dbraw/zinc/27/61/80/1064276180.db2.gz YUSGFJLKVKCDJJ-UHFFFAOYSA-N 0 0 467.658 4.953 20 0 JJADRN 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CC(C)[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)C1 ZINC001359729340 1064279274 /nfs/dbraw/zinc/27/92/74/1064279274.db2.gz XMCMVFFMYBVUGY-QGZVFWFLSA-N 0 0 453.965 4.779 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2ccco2)C1 ZINC001359729489 1064279715 /nfs/dbraw/zinc/27/97/15/1064279715.db2.gz AXORWQCETAKDFE-QGZVFWFLSA-N 0 0 486.414 4.603 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001545868620 1064280091 /nfs/dbraw/zinc/28/00/91/1064280091.db2.gz UDQRIJQMEIQEOD-KSSFIOAISA-N 0 0 455.500 4.664 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001359729731 1064280498 /nfs/dbraw/zinc/28/04/98/1064280498.db2.gz GLOUSJBMSVILMH-WIYYLYMNSA-N 0 0 482.019 4.827 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1Cc1ccc(OC)c(Br)c1 ZINC001545868864 1064280506 /nfs/dbraw/zinc/28/05/06/1064280506.db2.gz WVYLIVQDOUBBEI-DNVCBOLYSA-N 0 0 492.462 4.641 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359729833 1064281084 /nfs/dbraw/zinc/28/10/84/1064281084.db2.gz IDANEFASHUHBBY-LJQANCHMSA-N 0 0 471.671 4.523 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cc4ccccc4[nH]3)CC2)n1C[C@@](C)(O)[C@H](C)CC ZINC001545869879 1064281222 /nfs/dbraw/zinc/28/12/22/1064281222.db2.gz ALTIPZVRRVHWTF-WHLCRQNOSA-N 0 0 494.684 4.859 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCc1cccs1 ZINC001545870111 1064281981 /nfs/dbraw/zinc/28/19/81/1064281981.db2.gz GSHGXKOESBDSBZ-LJQANCHMSA-N 0 0 451.640 4.803 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1Cc1ccccc1Br ZINC001545870060 1064282098 /nfs/dbraw/zinc/28/20/98/1064282098.db2.gz FPQVXZYFRWFABM-KRWDZBQOSA-N 0 0 486.414 4.594 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359730531 1064282199 /nfs/dbraw/zinc/28/21/99/1064282199.db2.gz WPASEGCUFQFFPE-TZIWHRDSSA-N 0 0 499.656 4.844 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359730825 1064282373 /nfs/dbraw/zinc/28/23/73/1064282373.db2.gz CBKMSQJJVLQGTP-OAQYLSRUSA-N 0 0 455.622 4.529 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCO2)C1 ZINC001359730770 1064282418 /nfs/dbraw/zinc/28/24/18/1064282418.db2.gz AVTWJYMZBNMJPH-FCHUYYIVSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359730952 1064282791 /nfs/dbraw/zinc/28/27/91/1064282791.db2.gz FGHXGDNGDSWDOP-NRFANRHFSA-N 0 0 455.622 4.672 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H]2C)C1 ZINC001359730933 1064282830 /nfs/dbraw/zinc/28/28/30/1064282830.db2.gz DZFQARFKAGIMLV-YSFYHYPLSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)C1 ZINC001359731197 1064283910 /nfs/dbraw/zinc/28/39/10/1064283910.db2.gz IWOVWJGUGBZJJB-QFIPXVFZSA-N 0 0 473.662 4.612 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1C[C@H](C)c1nccs1 ZINC001545870486 1064284741 /nfs/dbraw/zinc/28/47/41/1064284741.db2.gz PBXWCAZCEXXCDW-ICSRJNTNSA-N 0 0 466.655 4.759 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001359731712 1064284925 /nfs/dbraw/zinc/28/49/25/1064284925.db2.gz RFNQRCGAUXWLOY-NRFANRHFSA-N 0 0 471.621 4.747 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCN(C)CC(F)(F)F)C1 ZINC001359731809 1064284947 /nfs/dbraw/zinc/28/49/47/1064284947.db2.gz SVJFEZIWDHSZIO-SFHVURJKSA-N 0 0 462.564 4.717 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359731748 1064285003 /nfs/dbraw/zinc/28/50/03/1064285003.db2.gz RQNCOXUXMVMIMU-QUCCMNQESA-N 0 0 459.610 4.794 20 0 JJADRN CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1)N1CCOCC1 ZINC001359731945 1064285585 /nfs/dbraw/zinc/28/55/85/1064285585.db2.gz VMKAHLRLBYQMQA-LADGPHEKSA-N 0 0 474.093 4.752 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001545870792 1064285811 /nfs/dbraw/zinc/28/58/11/1064285811.db2.gz WTMLDLLKSPNWJJ-YZUZCNPQSA-N 0 0 467.658 4.560 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1Cc1nc(C)c(C)s1 ZINC001545870729 1064285893 /nfs/dbraw/zinc/28/58/93/1064285893.db2.gz UWSCMVUCFVOXKU-UHFFFAOYSA-N 0 0 496.681 4.711 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CC1(CC(C)C)CC1 ZINC001545872000 1064286972 /nfs/dbraw/zinc/28/69/72/1064286972.db2.gz DWRDCDBNXQSDER-LJQANCHMSA-N 0 0 451.606 4.894 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCC(F)(F)CC2)C1 ZINC001359732827 1064287560 /nfs/dbraw/zinc/28/75/60/1064287560.db2.gz LNOQEHIQVLFBON-SFHVURJKSA-N 0 0 465.614 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1CCC(C)(F)F ZINC001545872305 1064287708 /nfs/dbraw/zinc/28/77/08/1064287708.db2.gz MGRMQCTZZDQGAN-UHFFFAOYSA-N 0 0 473.572 4.502 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ncc(C)s3)CC2)n1Cc1ccc(C)s1 ZINC001545872755 1064288452 /nfs/dbraw/zinc/28/84/52/1064288452.db2.gz XDMZPTNGGSFGAR-UHFFFAOYSA-N 0 0 472.684 4.764 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ncc(C)s3)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001545872767 1064288581 /nfs/dbraw/zinc/28/85/81/1064288581.db2.gz XRIYXQRNFNRMGC-UHFFFAOYSA-N 0 0 496.681 4.711 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1cccc(COC)c1 ZINC001545872572 1064288608 /nfs/dbraw/zinc/28/86/08/1064288608.db2.gz SFSZEMVNRQOTAT-UHFFFAOYSA-N 0 0 481.666 4.837 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359733099 1064288901 /nfs/dbraw/zinc/28/89/01/1064288901.db2.gz RRBGASCEVGZJMH-NHCUHLMSSA-N 0 0 471.612 4.536 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1c2ccccc2C[C@H]1C ZINC001545873946 1064289067 /nfs/dbraw/zinc/28/90/67/1064289067.db2.gz DNHGZRZKFVETNJ-RTWAWAEBSA-N 0 0 466.674 4.520 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001545873886 1064289172 /nfs/dbraw/zinc/28/91/72/1064289172.db2.gz CLCDYEVCXPAPNZ-PGRDOPGGSA-N 0 0 473.584 4.713 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)c3cc(Br)c(Br)[nH]3)CC2)cc1 ZINC001545873473 1064289226 /nfs/dbraw/zinc/28/92/26/1064289226.db2.gz PYDLBUMOFCZJOH-UHFFFAOYSA-N 0 0 454.162 4.868 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2F)C1 ZINC001359733165 1064289594 /nfs/dbraw/zinc/28/95/94/1064289594.db2.gz SYVIWFYEXTYHJS-HXUWFJFHSA-N 0 0 469.630 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)c1nc(C)cs1 ZINC001545873992 1064289685 /nfs/dbraw/zinc/28/96/85/1064289685.db2.gz FVEJNPZGOMHAGW-AWEZNQCLSA-N 0 0 486.608 4.934 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C1 ZINC001359733133 1064289786 /nfs/dbraw/zinc/28/97/86/1064289786.db2.gz SFFSJKGLNCOVGB-QTGUNEKASA-N 0 0 471.621 4.847 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC(C)C)C2)n1Cc1cn(C)nc1-c1ccccc1 ZINC001545874144 1064289985 /nfs/dbraw/zinc/28/99/85/1064289985.db2.gz JTSHJEFPCOKDTQ-FQEVSTJZSA-N 0 0 477.657 4.518 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545874419 1064290415 /nfs/dbraw/zinc/29/04/15/1064290415.db2.gz QYFZTIIHKJJVIA-HZPDHXFCSA-N 0 0 473.584 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCC1Cc2ccccc2C1 ZINC001545874256 1064290677 /nfs/dbraw/zinc/29/06/77/1064290677.db2.gz MKPGDQABIDAIOJ-NRFANRHFSA-N 0 0 451.659 4.874 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001545874544 1064291371 /nfs/dbraw/zinc/29/13/71/1064291371.db2.gz VMJSOVGKMZNHLX-DFHRPNOPSA-N 0 0 481.685 4.597 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1cccnc1OCC(F)F ZINC001545875034 1064292280 /nfs/dbraw/zinc/29/22/80/1064292280.db2.gz KOYHXTZWSFERDM-UHFFFAOYSA-N 0 0 453.371 4.839 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001545876263 1064292978 /nfs/dbraw/zinc/29/29/78/1064292978.db2.gz VJDVILWCAAYBAJ-HXUWFJFHSA-N 0 0 478.641 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1c(F)cccc1Cl ZINC001545877466 1064293307 /nfs/dbraw/zinc/29/33/07/1064293307.db2.gz CYWKDVRNEOHOES-UHFFFAOYSA-N 0 0 474.795 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001545877558 1064293391 /nfs/dbraw/zinc/29/33/91/1064293391.db2.gz FXGRMBCAXDNJLG-DNVCBOLYSA-N 0 0 472.461 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H](SC)C(C)(C)C ZINC001545877523 1064293584 /nfs/dbraw/zinc/29/35/84/1064293584.db2.gz FFJAZHCFZLAXMH-MRXNPFEDSA-N 0 0 462.491 4.874 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1([S@@](C)=O)CCC1 ZINC001359734425 1064293857 /nfs/dbraw/zinc/29/38/57/1064293857.db2.gz SUFSROSGBAWQNK-KWMCUTETSA-N 0 0 465.461 4.634 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001359735275 1064294607 /nfs/dbraw/zinc/29/46/07/1064294607.db2.gz JNMQNJYCQBBWFP-ICSRJNTNSA-N 0 0 463.692 4.771 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CC1CC(C)(C)C1 ZINC001545879126 1064294708 /nfs/dbraw/zinc/29/47/08/1064294708.db2.gz MMCQGQXBHIFJOY-UHFFFAOYSA-N 0 0 495.594 4.690 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359736359 1064296317 /nfs/dbraw/zinc/29/63/17/1064296317.db2.gz BWHRKJJDFHRKFE-WIYYLYMNSA-N 0 0 485.629 4.719 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(C(C)(C)C)s1 ZINC001359736362 1064296373 /nfs/dbraw/zinc/29/63/73/1064296373.db2.gz BYYYTRAHWWZIJJ-GOSISDBHSA-N 0 0 460.598 4.969 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1Cc1cccs1 ZINC001545881690 1064296976 /nfs/dbraw/zinc/29/69/76/1064296976.db2.gz DINQCUJNEQOVDF-QGZVFWFLSA-N 0 0 474.030 4.617 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1CCC1(C)CC1 ZINC001545882015 1064297144 /nfs/dbraw/zinc/29/71/44/1064297144.db2.gz MVIRRIDCMWSBLM-UHFFFAOYSA-N 0 0 475.584 4.713 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545881626 1064297223 /nfs/dbraw/zinc/29/72/23/1064297223.db2.gz BCYYDOSZISVGEV-YJDKGBRESA-N 0 0 467.658 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ccc(C)cc3)CC2)n1CC1(C(C)C)CC1 ZINC001545881767 1064297240 /nfs/dbraw/zinc/29/72/40/1064297240.db2.gz GLQZPJCNLZXBKE-UHFFFAOYSA-N 0 0 467.658 4.989 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1CCCCn1cc(Br)cn1 ZINC001359737089 1064297842 /nfs/dbraw/zinc/29/78/42/1064297842.db2.gz QPHPLROCRUAPJA-LJQANCHMSA-N 0 0 477.476 4.995 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 ZINC001359737358 1064297935 /nfs/dbraw/zinc/29/79/35/1064297935.db2.gz WNFLCLBZOKPORF-PMACEKPBSA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(F)F)cc2)C1 ZINC001359737568 1064298404 /nfs/dbraw/zinc/29/84/04/1064298404.db2.gz AMKZVVFPIQOUDL-GOSISDBHSA-N 0 0 454.525 4.568 20 0 JJADRN Cc1cc(C(=O)N(CCCO)Cc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001545882732 1064298419 /nfs/dbraw/zinc/29/84/19/1064298419.db2.gz OVAYOCIXRCHIDZ-UHFFFAOYSA-N 0 0 451.876 4.878 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(F)F)cc2)C1 ZINC001359737569 1064298661 /nfs/dbraw/zinc/29/86/61/1064298661.db2.gz AMKZVVFPIQOUDL-SFHVURJKSA-N 0 0 454.525 4.568 20 0 JJADRN Cc1c(C(=O)N(CCCO)Cc2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001545882783 1064298663 /nfs/dbraw/zinc/29/86/63/1064298663.db2.gz RAKCSJYUBMXXPV-UHFFFAOYSA-N 0 0 451.876 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](OCC(C)C)C2)n1C[C@H]1CCCc2ccccc21 ZINC001545883439 1064299230 /nfs/dbraw/zinc/29/92/30/1064299230.db2.gz PIEQEWTUDASDOU-GGAORHGYSA-N 0 0 467.658 4.568 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCCCO1 ZINC001359737892 1064300341 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JJADRN CC(C)C1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)c2ccccc2F)CC1 ZINC001359743336 1064313066 /nfs/dbraw/zinc/31/30/66/1064313066.db2.gz IABYUIZBCYRWBS-UHFFFAOYSA-N 0 0 450.606 4.802 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001359743257 1064313084 /nfs/dbraw/zinc/31/30/84/1064313084.db2.gz FVXHLGMYHLLGRC-IBGZPJMESA-N 0 0 459.516 4.888 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359743229 1064313219 /nfs/dbraw/zinc/31/32/19/1064313219.db2.gz FLBRWENJZFQJDJ-LJQANCHMSA-N 0 0 462.038 4.919 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC001434881600 1064313966 /nfs/dbraw/zinc/31/39/66/1064313966.db2.gz BCWHXWRCPVAVJC-GOSISDBHSA-N 0 0 458.949 4.627 20 0 JJADRN Cc1c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001434882222 1064314618 /nfs/dbraw/zinc/31/46/18/1064314618.db2.gz HBGFYOUDCZNOGL-DENIHFKCSA-N 0 0 458.484 4.551 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC001434882885 1064315251 /nfs/dbraw/zinc/31/52/51/1064315251.db2.gz FTPPNOAWSSCSKD-UHFFFAOYSA-N 0 0 453.336 4.683 20 0 JJADRN CC(C)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001359744302 1064315803 /nfs/dbraw/zinc/31/58/03/1064315803.db2.gz DLEJEERQBNOKCY-IRLDBZIGSA-N 0 0 495.672 4.548 20 0 JJADRN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(Cn2cc(Br)cn2)s1 ZINC001434884236 1064316150 /nfs/dbraw/zinc/31/61/50/1064316150.db2.gz QVYVWTFALOSCDI-HNNXBMFYSA-N 0 0 452.761 4.662 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(Cl)c2)C1 ZINC001359744461 1064316597 /nfs/dbraw/zinc/31/65/97/1064316597.db2.gz ISOJUCRAPMFOOM-INIZCTEOSA-N 0 0 461.994 4.593 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1Br ZINC001434885247 1064316858 /nfs/dbraw/zinc/31/68/58/1064316858.db2.gz RINHWAVWFRZGLL-ZDUSSCGKSA-N 0 0 456.768 4.864 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(Br)s1 ZINC001434884992 1064316972 /nfs/dbraw/zinc/31/69/72/1064316972.db2.gz OCGMCEJAGGNLIF-GOSISDBHSA-N 0 0 451.386 4.899 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001359745046 1064317185 /nfs/dbraw/zinc/31/71/85/1064317185.db2.gz ZGIUAXLKFIPBBS-UHFFFAOYSA-N 0 0 458.532 4.793 20 0 JJADRN Cc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(Br)n1 ZINC001434885492 1064317659 /nfs/dbraw/zinc/31/76/59/1064317659.db2.gz OBNNZPDMVPMJRX-UHFFFAOYSA-N 0 0 457.290 4.650 20 0 JJADRN CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Br)cc1Cl ZINC001434885845 1064317911 /nfs/dbraw/zinc/31/79/11/1064317911.db2.gz JNRDUAPEFDMVGI-UHFFFAOYSA-N 0 0 450.686 4.860 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)(F)C(F)F)C1 ZINC001359745131 1064317950 /nfs/dbraw/zinc/31/79/50/1064317950.db2.gz ASMFMGDMAMWZIQ-GVDBMIGSSA-N 0 0 464.548 4.596 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)(F)C(F)F)C1 ZINC001359745130 1064318116 /nfs/dbraw/zinc/31/81/16/1064318116.db2.gz ASMFMGDMAMWZIQ-BRWVUGGUSA-N 0 0 464.548 4.596 20 0 JJADRN COC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)CCc1cncs1 ZINC001434888736 1064319968 /nfs/dbraw/zinc/31/99/68/1064319968.db2.gz ATQBOGOCCYUJKF-UHFFFAOYSA-N 0 0 451.367 4.992 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCc1coc(-c3cccs3)n1)N2C(=O)OC(C)(C)C ZINC001434889340 1064319983 /nfs/dbraw/zinc/31/99/83/1064319983.db2.gz ILJIHQRBLHWDKG-GOSISDBHSA-N 0 0 457.527 4.833 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2scc(C)c2I)CCCC1 ZINC001434888767 1064320010 /nfs/dbraw/zinc/32/00/10/1064320010.db2.gz ZFHQJFQKNBLOJE-UHFFFAOYSA-N 0 0 455.361 4.912 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001359745742 1064320453 /nfs/dbraw/zinc/32/04/53/1064320453.db2.gz PUIZKJGEDASZEL-NMIHRBCNSA-N 0 0 475.678 4.594 20 0 JJADRN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(-c2ccc(F)cc2)s1 ZINC001434890253 1064320513 /nfs/dbraw/zinc/32/05/13/1064320513.db2.gz LCNCPJQKUGMYAI-UHFFFAOYSA-N 0 0 458.580 4.659 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCCC2(C)C)C1 ZINC001359745832 1064321310 /nfs/dbraw/zinc/32/13/10/1064321310.db2.gz RRLQXFGLLDUQQI-SLFFLAALSA-N 0 0 461.651 4.648 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001359745821 1064321445 /nfs/dbraw/zinc/32/14/45/1064321445.db2.gz RJNBJWAMFUVQEU-GOSISDBHSA-N 0 0 471.577 4.830 20 0 JJADRN CC(C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(C)C)C1)N1CCOCC1 ZINC001359746078 1064321980 /nfs/dbraw/zinc/32/19/80/1064321980.db2.gz YHESRZZCIOXFGX-JYFHCDHNSA-N 0 0 497.728 4.994 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2C)C1 ZINC001359746126 1064322772 /nfs/dbraw/zinc/32/27/72/1064322772.db2.gz ZNNMDECZOOGSGX-IPMKNSEASA-N 0 0 477.447 4.775 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1=O ZINC001434894660 1064323164 /nfs/dbraw/zinc/32/31/64/1064323164.db2.gz SEHDNDTYWYWJPT-HSZRJFAPSA-N 0 0 458.558 4.836 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCS2)CCO1 ZINC001359746449 1064323551 /nfs/dbraw/zinc/32/35/51/1064323551.db2.gz GQAYQGGUEKQUMH-CRAIPNDOSA-N 0 0 469.424 4.604 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C2CC(C(C)(C)C)C2)CCO1 ZINC001359746359 1064323560 /nfs/dbraw/zinc/32/35/60/1064323560.db2.gz FAFJMHFBIIDAOL-DQVLVPHSSA-N 0 0 474.049 4.720 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)CCCOc3cccnc3)cc2Cl)n1 ZINC001434895227 1064323776 /nfs/dbraw/zinc/32/37/76/1064323776.db2.gz FIAAUDGHIHKUQC-QGZVFWFLSA-N 0 0 455.946 4.546 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CCCn1ccccc1=O ZINC001434895038 1064323929 /nfs/dbraw/zinc/32/39/29/1064323929.db2.gz PWPSDWRHCDOUCR-UHFFFAOYSA-N 0 0 457.452 4.847 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC[C@@H](F)C2)CCO1 ZINC001359746525 1064324128 /nfs/dbraw/zinc/32/41/28/1064324128.db2.gz IEOFUSFTXSXINH-CLCXKQKWSA-N 0 0 469.374 4.846 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCC(=O)N(C)C)CCO1 ZINC001359746545 1064324157 /nfs/dbraw/zinc/32/41/57/1064324157.db2.gz IPKABZQMFBTYHJ-KRWDZBQOSA-N 0 0 476.046 4.543 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001434896674 1064324453 /nfs/dbraw/zinc/32/44/53/1064324453.db2.gz NTWACLYNEKHRRK-UTKZUKDTSA-N 0 0 455.555 4.645 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001434896878 1064324604 /nfs/dbraw/zinc/32/46/04/1064324604.db2.gz MHEWOWOXUMVEHQ-UHFFFAOYSA-N 0 0 451.473 4.708 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCCNC(=O)c2ccsc2)[C@@H]1C ZINC001434898193 1064326064 /nfs/dbraw/zinc/32/60/64/1064326064.db2.gz JAGUUGHHSJMPIQ-OPYAIIAOSA-N 0 0 456.608 4.840 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC001434898462 1064326179 /nfs/dbraw/zinc/32/61/79/1064326179.db2.gz GACLVQIYPVUCNR-OAHLLOKOSA-N 0 0 450.398 4.760 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(Cl)c1 ZINC001434898130 1064326306 /nfs/dbraw/zinc/32/63/06/1064326306.db2.gz ANVRIVYGPOXEDE-LJQANCHMSA-N 0 0 451.995 4.567 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 ZINC001359747157 1064326709 /nfs/dbraw/zinc/32/67/09/1064326709.db2.gz VELPFBRYHKKHTI-GOSISDBHSA-N 0 0 495.933 4.953 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)CCS1 ZINC001359747248 1064326713 /nfs/dbraw/zinc/32/67/13/1064326713.db2.gz XGPRNTGHLSUVLZ-XMSQKQJNSA-N 0 0 496.519 4.565 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCO2)CCS1 ZINC001359747149 1064326756 /nfs/dbraw/zinc/32/67/56/1064326756.db2.gz VCECOKWODUTBAO-CRAIPNDOSA-N 0 0 469.424 4.604 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)s1 ZINC001434898809 1064326986 /nfs/dbraw/zinc/32/69/86/1064326986.db2.gz DUFLTFQENMSFPD-DEOSSOPVSA-N 0 0 456.539 4.929 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c1 ZINC001434898963 1064327100 /nfs/dbraw/zinc/32/71/00/1064327100.db2.gz XZLZZLIFCFLBRH-OVQGTLEDSA-N 0 0 459.587 4.557 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001359747263 1064327528 /nfs/dbraw/zinc/32/75/28/1064327528.db2.gz XKVDUHKTVWROEZ-XUZZJYLKSA-N 0 0 491.474 4.900 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)ccc1Br ZINC001434899565 1064327655 /nfs/dbraw/zinc/32/76/55/1064327655.db2.gz WUFQYIPRLHSQAR-UHFFFAOYSA-N 0 0 457.412 4.978 20 0 JJADRN CC(C)CCOc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC001434900026 1064328158 /nfs/dbraw/zinc/32/81/58/1064328158.db2.gz YFCJEGBOWIPYBA-KRWDZBQOSA-N 0 0 457.017 4.618 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)CSc2cccc(Br)c2)c1C ZINC001434899807 1064328409 /nfs/dbraw/zinc/32/84/09/1064328409.db2.gz KGSVCUXQHFKKIA-UHFFFAOYSA-N 0 0 457.415 4.640 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001359747613 1064329822 /nfs/dbraw/zinc/32/98/22/1064329822.db2.gz FLRCHQTXYHSIBJ-INIZCTEOSA-N 0 0 493.393 4.864 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 ZINC001434901514 1064329772 /nfs/dbraw/zinc/32/97/72/1064329772.db2.gz OGHAHSNCCZUIKK-PMACEKPBSA-N 0 0 455.396 4.626 20 0 JJADRN COc1cc(OC)c(C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC001434902049 1064329846 /nfs/dbraw/zinc/32/98/46/1064329846.db2.gz XYJZPXSPDDVRRO-MBOZVWFJSA-N 0 0 455.551 4.908 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC001359747754 1064330427 /nfs/dbraw/zinc/33/04/27/1064330427.db2.gz HWIQIUKANJNJSN-KNQAVFIVSA-N 0 0 493.618 4.988 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccc(F)c3)C(C)(C)C)s2)CC1 ZINC001434902193 1064330514 /nfs/dbraw/zinc/33/05/14/1064330514.db2.gz SDHMGFILRDSATA-FQEVSTJZSA-N 0 0 452.617 4.825 20 0 JJADRN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001434904038 1064331140 /nfs/dbraw/zinc/33/11/40/1064331140.db2.gz OFWDPDJEKHBUMR-SGTLLEGYSA-N 0 0 451.741 4.692 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2s1 ZINC001434903815 1064331305 /nfs/dbraw/zinc/33/13/05/1064331305.db2.gz GHSIROPSPNEJPV-CXAGYDPISA-N 0 0 465.453 4.985 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)cc2s1 ZINC001434903545 1064331330 /nfs/dbraw/zinc/33/13/30/1064331330.db2.gz DVNPVLPKZRUSBL-UHFFFAOYSA-N 0 0 454.552 4.779 20 0 JJADRN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001434904040 1064331394 /nfs/dbraw/zinc/33/13/94/1064331394.db2.gz OFWDPDJEKHBUMR-XIKOKIGWSA-N 0 0 451.741 4.692 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCCc1cc(Br)ccc1F ZINC001434904850 1064332439 /nfs/dbraw/zinc/33/24/39/1064332439.db2.gz CGUPNADACLZESC-OAQYLSRUSA-N 0 0 459.400 4.824 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc4ccccc43)CC2)cc1 ZINC001434906058 1064333196 /nfs/dbraw/zinc/33/31/96/1064333196.db2.gz VUKLZALTYZMCQL-LJQANCHMSA-N 0 0 450.604 4.936 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCS2)CCO1 ZINC001359748223 1064333437 /nfs/dbraw/zinc/33/34/37/1064333437.db2.gz RCFPIJYXLBJBHK-HUUCEWRRSA-N 0 0 471.490 4.916 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)CCS1 ZINC001359748227 1064333517 /nfs/dbraw/zinc/33/35/17/1064333517.db2.gz RDIYSRRLQXLDPT-IBGZPJMESA-N 0 0 479.984 4.929 20 0 JJADRN CC[C@@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1)c1ccccc1 ZINC001434907080 1064334024 /nfs/dbraw/zinc/33/40/24/1064334024.db2.gz NXZALQZSYSGFSF-HXUWFJFHSA-N 0 0 457.621 4.973 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1(Br)Br ZINC001434906916 1064334043 /nfs/dbraw/zinc/33/40/43/1064334043.db2.gz MUDCNRDSIYLHFF-KRWDZBQOSA-N 0 0 452.146 4.774 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(N(C)C)c2)CCO1 ZINC001359748368 1064334283 /nfs/dbraw/zinc/33/42/83/1064334283.db2.gz ULISLCPUEIBFHJ-SFHVURJKSA-N 0 0 490.471 4.745 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC001434908201 1064334655 /nfs/dbraw/zinc/33/46/55/1064334655.db2.gz BGLDMTXCJODUMY-UHFFFAOYSA-N 0 0 455.308 4.646 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)CCO1 ZINC001359748451 1064334932 /nfs/dbraw/zinc/33/49/32/1064334932.db2.gz VYTGTOXLKZXDTA-KSSFIOAISA-N 0 0 451.384 4.754 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCNC(=O)OC(C)(C)C)CCO1 ZINC001359748545 1064335367 /nfs/dbraw/zinc/33/53/67/1064335367.db2.gz XXHSDJHFGPYWDN-FQEVSTJZSA-N 0 0 478.037 4.765 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(F)cn2)CCS1 ZINC001359748616 1064335640 /nfs/dbraw/zinc/33/56/40/1064335640.db2.gz AEGPNLBHOKCQNW-LJQANCHMSA-N 0 0 476.419 4.868 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)c2ccccc21 ZINC001434909645 1064336166 /nfs/dbraw/zinc/33/61/66/1064336166.db2.gz IPFVTWWIAOGHNR-NHCUHLMSSA-N 0 0 455.396 4.983 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)NCCc1cc(Br)ccc1F ZINC001434909945 1064336341 /nfs/dbraw/zinc/33/63/41/1064336341.db2.gz PQSBIIDIHPNDMP-UHFFFAOYSA-N 0 0 458.327 4.905 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001359748750 1064336412 /nfs/dbraw/zinc/33/64/12/1064336412.db2.gz CWMYQKDDPHJYHD-QGZVFWFLSA-N 0 0 461.035 4.657 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CCS1 ZINC001359749361 1064337005 /nfs/dbraw/zinc/33/70/05/1064337005.db2.gz PHKJFDUWAFPLTQ-GIVPXCGWSA-N 0 0 486.686 4.563 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c(C(C)C)n1 ZINC001434911486 1064337513 /nfs/dbraw/zinc/33/75/13/1064337513.db2.gz GRFSNQJXVMAIJV-UHFFFAOYSA-N 0 0 457.574 4.691 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCO2)CCS1 ZINC001359749814 1064338488 /nfs/dbraw/zinc/33/84/88/1064338488.db2.gz ZQKQFTPEDKPNLO-LPHOPBHVSA-N 0 0 465.461 4.855 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001359750216 1064338647 /nfs/dbraw/zinc/33/86/47/1064338647.db2.gz IIAVXAMTWLTHTG-NHCUHLMSSA-N 0 0 482.547 4.508 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001359750217 1064338755 /nfs/dbraw/zinc/33/87/55/1064338755.db2.gz IIAVXAMTWLTHTG-RTWAWAEBSA-N 0 0 482.547 4.508 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359751776 1064340110 /nfs/dbraw/zinc/34/01/10/1064340110.db2.gz JEOYQZIOVLNPTR-NHCUHLMSSA-N 0 0 498.615 4.877 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCS2)CCO1 ZINC001359752171 1064340904 /nfs/dbraw/zinc/34/09/04/1064340904.db2.gz PRQAVTSMBFHHKQ-RNHFSVANSA-N 0 0 493.718 4.540 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CCO1 ZINC001359752556 1064340919 /nfs/dbraw/zinc/34/09/19/1064340919.db2.gz VFZALXUKAWSKFP-VSKRKVRLSA-N 0 0 473.662 4.610 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 ZINC001434914580 1064341121 /nfs/dbraw/zinc/34/11/21/1064341121.db2.gz FALPGFIQOKIVAA-INIZCTEOSA-N 0 0 450.539 4.895 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CCS1 ZINC001359752747 1064341531 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SNYNEQWEASPQPG-HXUWFJFHSA-N 0 0 475.456 4.797 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)OC(C)(C)C)CCS1 ZINC001359753765 1064343756 /nfs/dbraw/zinc/34/37/56/1064343756.db2.gz PNYIZTBPNIWHFB-FQEVSTJZSA-N 0 0 495.640 4.640 20 0 JJADRN CSc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)ccc1Br ZINC001434917847 1064345119 /nfs/dbraw/zinc/34/51/19/1064345119.db2.gz NXKNTZSYEGWOMD-UHFFFAOYSA-N 0 0 451.411 4.866 20 0 JJADRN Cc1csc(Sc2c(Cl)cccc2NC(=O)c2nnn(Cc3ccncc3)c2C)n1 ZINC001434918681 1064345540 /nfs/dbraw/zinc/34/55/40/1064345540.db2.gz ICHACCLWDYNLNH-UHFFFAOYSA-N 0 0 456.984 4.852 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCC2CC2)CCS1 ZINC001359754726 1064345634 /nfs/dbraw/zinc/34/56/34/1064345634.db2.gz KVBIVFVINSAILO-LJQANCHMSA-N 0 0 465.461 4.998 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccc1 ZINC001434919524 1064346338 /nfs/dbraw/zinc/34/63/38/1064346338.db2.gz DUDJIMZZEGKSBP-ZEQRLZLVSA-N 0 0 457.542 4.583 20 0 JJADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001434919782 1064347235 /nfs/dbraw/zinc/34/72/35/1064347235.db2.gz OBOUAQOPEHJGEK-MBSDFSHPSA-N 0 0 457.368 4.610 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)CCO1 ZINC001359755376 1064347724 /nfs/dbraw/zinc/34/77/24/1064347724.db2.gz YZZOCKSGGOYYGJ-NQIIRXRSSA-N 0 0 475.431 4.837 20 0 JJADRN Cc1c(C(=O)NCc2ccc(Br)cc2Cl)nnn1-c1ccc(F)c(Cl)c1 ZINC001434920230 1064347926 /nfs/dbraw/zinc/34/79/26/1064347926.db2.gz PHVZREFUXYQIPK-UHFFFAOYSA-N 0 0 458.118 4.714 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCCS2)CCO1 ZINC001359755250 1064347904 /nfs/dbraw/zinc/34/79/04/1064347904.db2.gz WEAGTYRNHBHTGI-WOJBJXKFSA-N 0 0 495.487 4.767 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@@H]2C)CCO1 ZINC001359755273 1064347957 /nfs/dbraw/zinc/34/79/57/1064347957.db2.gz WOSIIGWBBPUNSV-IMSXRSKXSA-N 0 0 470.658 4.688 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359755514 1064349480 /nfs/dbraw/zinc/34/94/80/1064349480.db2.gz BKDQVBRDBSEUIA-FPOVZHCZSA-N 0 0 474.049 4.549 20 0 JJADRN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001434922476 1064350553 /nfs/dbraw/zinc/35/05/53/1064350553.db2.gz QSBABNOPBFUUNK-UHFFFAOYSA-N 0 0 456.498 4.645 20 0 JJADRN O=C(CCOc1cccc(I)c1)Nc1scnc1-c1ccccc1 ZINC001434922387 1064350703 /nfs/dbraw/zinc/35/07/03/1064350703.db2.gz ZCMFFKJPFQYSPY-UHFFFAOYSA-N 0 0 450.301 4.822 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCSC2)CCS1 ZINC001359755760 1064350918 /nfs/dbraw/zinc/35/09/18/1064350918.db2.gz FZSIDRYJDCLQDB-ZRNYENFQSA-N 0 0 495.759 4.770 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@H]2CCCCO2)CCS1 ZINC001359755897 1064351572 /nfs/dbraw/zinc/35/15/72/1064351572.db2.gz IFQHLUKIYZYVFP-IFMALSPDSA-N 0 0 462.635 4.923 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC001434923967 1064352069 /nfs/dbraw/zinc/35/20/69/1064352069.db2.gz FYYOKCTYCPGEDC-UHFFFAOYSA-N 0 0 452.436 4.767 20 0 JJADRN Cc1cccc(C(C)(C)CNC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC001434923178 1064352198 /nfs/dbraw/zinc/35/21/98/1064352198.db2.gz DSYRHZNDTTZYTG-UHFFFAOYSA-N 0 0 450.564 4.674 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001359756213 1064352435 /nfs/dbraw/zinc/35/24/35/1064352435.db2.gz NSTNEKJVYVSEBV-KWOQKUFVSA-N 0 0 488.698 4.815 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCC2(F)F)CCO1 ZINC001359756221 1064352639 /nfs/dbraw/zinc/35/26/39/1064352639.db2.gz NTCHLGVHRGBGSM-XLIONFOSSA-N 0 0 452.521 4.683 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3nccc4c(Br)cccc43)ccc21 ZINC001434924162 1064352800 /nfs/dbraw/zinc/35/28/00/1064352800.db2.gz KFTSMMZMERKKKH-UHFFFAOYSA-N 0 0 452.308 4.767 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3cc4sc(N(CC)CC)nc4s3)ccc21 ZINC001434924734 1064353020 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LKUXFCLSQKZMTD-UHFFFAOYSA-N 0 0 456.727 4.839 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(Sc3ccncc3)cc2)ccc1C ZINC001434928253 1064355623 /nfs/dbraw/zinc/35/56/23/1064355623.db2.gz DWJDPWHRRVKCCD-UHFFFAOYSA-N 0 0 456.589 4.791 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC001359757017 1064356176 /nfs/dbraw/zinc/35/61/76/1064356176.db2.gz BDOWGKPVFBEXSF-OGWOLHLISA-N 0 0 483.451 4.850 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 ZINC001359756926 1064356297 /nfs/dbraw/zinc/35/62/97/1064356297.db2.gz AGHFZBZRTNZOTO-UZLBHIALSA-N 0 0 459.388 4.998 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC001359757016 1064356310 /nfs/dbraw/zinc/35/63/10/1064356310.db2.gz BDOWGKPVFBEXSF-GMBSWORKSA-N 0 0 483.451 4.850 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001434928699 1064356359 /nfs/dbraw/zinc/35/63/59/1064356359.db2.gz SYSZWHKSWKXZQU-FUHWJXTLSA-N 0 0 453.421 4.924 20 0 JJADRN O=C(CCOCC(F)(F)C(F)F)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001434928743 1064356382 /nfs/dbraw/zinc/35/63/82/1064356382.db2.gz TXAXSQGRHRJLIC-UHFFFAOYSA-N 0 0 458.839 4.675 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001434929037 1064356445 /nfs/dbraw/zinc/35/64/45/1064356445.db2.gz PGMGAAYVGKCDQH-UHFFFAOYSA-N 0 0 456.498 4.545 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001359757281 1064356777 /nfs/dbraw/zinc/35/67/77/1064356777.db2.gz FWTPDCBSAMVMRJ-OXQOHEQNSA-N 0 0 483.426 4.507 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001359757182 1064356924 /nfs/dbraw/zinc/35/69/24/1064356924.db2.gz DRMIQDIFWVNGTR-LSAWVPRPSA-N 0 0 474.671 4.516 20 0 JJADRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c2)C1 ZINC001434929653 1064356974 /nfs/dbraw/zinc/35/69/74/1064356974.db2.gz QZJCIBCFVOIIKQ-RXVVDRJESA-N 0 0 454.567 4.538 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC001434931095 1064357665 /nfs/dbraw/zinc/35/76/65/1064357665.db2.gz WDLVEGPNXIICJF-MRXNPFEDSA-N 0 0 450.336 4.872 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359757415 1064357554 /nfs/dbraw/zinc/35/75/54/1064357554.db2.gz HJTORTDTKRXLQV-LQWHRVPQSA-N 0 0 450.986 4.662 20 0 JJADRN O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)CC1 ZINC001434932099 1064358431 /nfs/dbraw/zinc/35/84/31/1064358431.db2.gz YEPPQSUODLFLRC-WBVHZDCISA-N 0 0 453.316 4.750 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359757548 1064358296 /nfs/dbraw/zinc/35/82/96/1064358296.db2.gz ITGNZHUWJAWCGH-FCEWJHQRSA-N 0 0 483.476 4.694 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359757661 1064358432 /nfs/dbraw/zinc/35/84/32/1064358432.db2.gz KBKDGHLFRAEYSW-RXVVDRJESA-N 0 0 462.038 4.839 20 0 JJADRN O=C(Nc1ccccc1NC(=O)c1ccccc1I)C(F)=C1CCC1 ZINC001434933283 1064359985 /nfs/dbraw/zinc/35/99/85/1064359985.db2.gz VZYKNKMYTIGNRQ-UHFFFAOYSA-N 0 0 450.251 4.890 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)Oc3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)c(C)c1 ZINC001434934182 1064360081 /nfs/dbraw/zinc/36/00/81/1064360081.db2.gz DPWDSZAKOOZSDY-UHFFFAOYSA-N 0 0 456.589 4.821 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NCCOc3ccc(Br)cc3)c3c2CCCC3)cc1 ZINC001434935266 1064361108 /nfs/dbraw/zinc/36/11/08/1064361108.db2.gz PPKIPDZMGKYDNX-UHFFFAOYSA-N 0 0 454.368 4.631 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1ccn(C)n1 ZINC001359758905 1064361352 /nfs/dbraw/zinc/36/13/52/1064361352.db2.gz ADHIREOCKNECOA-FDDCHVKYSA-N 0 0 452.603 4.693 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759095 1064361975 /nfs/dbraw/zinc/36/19/75/1064361975.db2.gz CUQJKSZJOMILQU-WMZHIEFXSA-N 0 0 471.552 4.563 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359759196 1064362630 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HVYNVOUICPLCCL-HXUWFJFHSA-N 0 0 450.739 4.766 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759727 1064365476 /nfs/dbraw/zinc/36/54/76/1064365476.db2.gz LBSXDUOLOQGZPU-WMZHIEFXSA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759728 1064365814 /nfs/dbraw/zinc/36/58/14/1064365814.db2.gz LBSXDUOLOQGZPU-XXBNENTESA-N 0 0 473.543 4.980 20 0 JJADRN C[C@@H](C(=O)Nc1cc(Cl)ccc1Sc1nnnn1C)c1ccc(Br)cc1 ZINC001434946084 1064366341 /nfs/dbraw/zinc/36/63/41/1064366341.db2.gz YWCTWVSNGRQANI-SNVBAGLBSA-N 0 0 452.765 4.519 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F ZINC001359760082 1064367398 /nfs/dbraw/zinc/36/73/98/1064367398.db2.gz OOBYVPIXWZATTO-NVXWUHKLSA-N 0 0 462.463 4.996 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N(Cc1ccsc1)c1cccnc1 ZINC001434947844 1064367958 /nfs/dbraw/zinc/36/79/58/1064367958.db2.gz RTTZRJVOPNZESU-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1 ZINC001359760400 1064368467 /nfs/dbraw/zinc/36/84/67/1064368467.db2.gz SXYMTMWEFXTKFP-YLJYHZDGSA-N 0 0 464.452 4.734 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001359760605 1064368547 /nfs/dbraw/zinc/36/85/47/1064368547.db2.gz WLLNZNDJJCIQCH-SIKLNZKXSA-N 0 0 486.016 4.542 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359760439 1064368610 /nfs/dbraw/zinc/36/86/10/1064368610.db2.gz UJLCZYAXWPPRGJ-NRSPTQNISA-N 0 0 477.447 4.774 20 0 JJADRN CC[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC001434948299 1064369063 /nfs/dbraw/zinc/36/90/63/1064369063.db2.gz BPIVILONYSGXMK-IERDGZPVSA-N 0 0 458.400 4.686 20 0 JJADRN CCCC[C@@H](NC(=O)[C@H]1CCOc2c(F)cccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948753 1064369659 /nfs/dbraw/zinc/36/96/59/1064369659.db2.gz GCVNEGDGXWBSOI-JTHBVZDNSA-N 0 0 453.558 4.606 20 0 JJADRN 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CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001359761408 1064371648 /nfs/dbraw/zinc/37/16/48/1064371648.db2.gz HCGFKXWFQRILGC-LPHOPBHVSA-N 0 0 480.838 4.934 20 0 JJADRN CCCC[C@@H](NC(=O)c1cnc(OCC)c(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950708 1064371906 /nfs/dbraw/zinc/37/19/06/1064371906.db2.gz VQOLNNQJERLQMM-OAQYLSRUSA-N 0 0 458.990 4.661 20 0 JJADRN O=C(Nc1ccnc(Sc2ccccn2)c1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001434950943 1064372089 /nfs/dbraw/zinc/37/20/89/1064372089.db2.gz RZFRFMWHGUCWLV-UHFFFAOYSA-N 0 0 453.589 4.743 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001434950576 1064372128 /nfs/dbraw/zinc/37/21/28/1064372128.db2.gz XIXAESWXXNIZEX-DJWKRKHSSA-N 0 0 454.253 4.947 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359761481 1064372448 /nfs/dbraw/zinc/37/24/48/1064372448.db2.gz IDBNMSRUJIKSGO-BKULYWANSA-N 0 0 458.622 4.711 20 0 JJADRN 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1064374251 /nfs/dbraw/zinc/37/42/51/1064374251.db2.gz UMBKPMRQOAQKIX-UHFFFAOYSA-N 0 0 451.348 4.629 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC001434959686 1064374910 /nfs/dbraw/zinc/37/49/10/1064374910.db2.gz WXQFBMPSXPNQRF-UHFFFAOYSA-N 0 0 450.848 4.657 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001359762528 1064375909 /nfs/dbraw/zinc/37/59/09/1064375909.db2.gz VZKIVEKDZFKRAB-WWMYMODYSA-N 0 0 495.437 4.771 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001434961014 1064376523 /nfs/dbraw/zinc/37/65/23/1064376523.db2.gz DTHAIFACHWWNAI-QHCPKHFHSA-N 0 0 456.373 4.859 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Br)c(Cl)c1 ZINC001434961052 1064376668 /nfs/dbraw/zinc/37/66/68/1064376668.db2.gz FLDVRYFSNVIPBK-SFHVURJKSA-N 0 0 458.183 4.559 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccon2)c1 ZINC001359762906 1064377143 /nfs/dbraw/zinc/37/71/43/1064377143.db2.gz APERLCICVUXEPO-UHFFFAOYSA-N 0 0 479.972 4.651 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001359762953 1064377241 /nfs/dbraw/zinc/37/72/41/1064377241.db2.gz BEFMJJIEANNBTL-AVRDEDQJSA-N 0 0 465.063 4.902 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1c(F)cc(Br)cc1F ZINC001434962058 1064377303 /nfs/dbraw/zinc/37/73/03/1064377303.db2.gz LDWJNYDNAFEXNM-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC001434962030 1064377464 /nfs/dbraw/zinc/37/74/64/1064377464.db2.gz JENVMTWZCTVCHM-PGRDOPGGSA-N 0 0 451.567 4.585 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F ZINC001434962160 1064378170 /nfs/dbraw/zinc/37/81/70/1064378170.db2.gz SMKCYPLBOZKCBA-YZUZCNPQSA-N 0 0 451.469 4.678 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F ZINC001434962159 1064378199 /nfs/dbraw/zinc/37/81/99/1064378199.db2.gz SMKCYPLBOZKCBA-PQNGQFLHSA-N 0 0 451.469 4.678 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001359763222 1064378844 /nfs/dbraw/zinc/37/88/44/1064378844.db2.gz HJQCUIVYNGTCPL-GOSISDBHSA-N 0 0 480.579 4.507 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC001434964032 1064378947 /nfs/dbraw/zinc/37/89/47/1064378947.db2.gz SDTWKEODZNMRSU-UHFFFAOYSA-N 0 0 458.274 4.682 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(C)n1 ZINC001434963813 1064379058 /nfs/dbraw/zinc/37/90/58/1064379058.db2.gz IJBYZZFYHKVBSC-QGZVFWFLSA-N 0 0 454.615 4.533 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC001434964722 1064379961 /nfs/dbraw/zinc/37/99/61/1064379961.db2.gz FSFWOHXSWFMTCT-UHFFFAOYSA-N 0 0 452.702 4.720 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 ZINC001359763488 1064380288 /nfs/dbraw/zinc/38/02/88/1064380288.db2.gz KMZPMUWAZJXRMD-UHFFFAOYSA-N 0 0 493.637 4.781 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCCN(c3ncccc3F)CC2)c1 ZINC001359763565 1064380349 /nfs/dbraw/zinc/38/03/49/1064380349.db2.gz LUPHZZUWOJYOSD-UHFFFAOYSA-N 0 0 493.631 4.685 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC(C)(C)C ZINC001359763599 1064380386 /nfs/dbraw/zinc/38/03/86/1064380386.db2.gz MMXMIFNFGIKEEV-GXRSIYKFSA-N 0 0 464.695 4.899 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC001434965639 1064380650 /nfs/dbraw/zinc/38/06/50/1064380650.db2.gz UBPYHWUUHQIYPV-XJKCOSOUSA-N 0 0 459.237 4.583 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1 ZINC001359763730 1064380796 /nfs/dbraw/zinc/38/07/96/1064380796.db2.gz PHBKORPJHMMDCK-LAUBAEHRSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1 ZINC001359763729 1064380982 /nfs/dbraw/zinc/38/09/82/1064380982.db2.gz PHBKORPJHMMDCK-DYESRHJHSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001359763960 1064381553 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CC(C)[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC001434974633 1064389523 /nfs/dbraw/zinc/38/95/23/1064389523.db2.gz GJVQPILIYGLKNI-LJQANCHMSA-N 0 0 451.792 4.778 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001434974909 1064389624 /nfs/dbraw/zinc/38/96/24/1064389624.db2.gz NKYFQFJDCACKGP-SFHVURJKSA-N 0 0 452.334 4.935 20 0 JJADRN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC001434974439 1064389739 /nfs/dbraw/zinc/38/97/39/1064389739.db2.gz BVYNVDZKXYZVOU-UHFFFAOYSA-N 0 0 455.274 4.557 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)COc1cccc(C(F)(F)F)c1 ZINC001434975408 1064390397 /nfs/dbraw/zinc/39/03/97/1064390397.db2.gz PTRNUZWDNONXCI-QGZVFWFLSA-N 0 0 450.240 4.764 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC001434976178 1064391276 /nfs/dbraw/zinc/39/12/76/1064391276.db2.gz IPCZRWYOPPEYPC-UHFFFAOYSA-N 0 0 453.739 4.661 20 0 JJADRN CSc1cccc(N(C)C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC001434976546 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Cc1cc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)ccc1N1CCSCC1 ZINC001434988673 1064404494 /nfs/dbraw/zinc/40/44/94/1064404494.db2.gz PMDUOJQTEKLELT-UHFFFAOYSA-N 0 0 459.420 4.511 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2csc(-c3ncccc3F)n2)cc1OC ZINC001434988395 1064404524 /nfs/dbraw/zinc/40/45/24/1064404524.db2.gz MGRUNYZGPIWTKK-QGZVFWFLSA-N 0 0 455.555 4.989 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC001434989050 1064405155 /nfs/dbraw/zinc/40/51/55/1064405155.db2.gz NESHDNAXQPUQIH-KNQAVFIVSA-N 0 0 455.595 4.914 20 0 JJADRN Cc1cc(NC(=O)c2c(F)cccc2I)ccc1N1CCSCC1 ZINC001434988977 1064405201 /nfs/dbraw/zinc/40/52/01/1064405201.db2.gz QZMFBTRZORXLTI-UHFFFAOYSA-N 0 0 456.324 4.544 20 0 JJADRN O=C(Nc1ccc(-n2ccnn2)cc1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001434990214 1064406012 /nfs/dbraw/zinc/40/60/12/1064406012.db2.gz QFKGCOXTQJAOPE-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCc1ccc(I)s1 ZINC001434990089 1064406083 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20 0 JJADRN CC(C)CC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359773870 1064412892 /nfs/dbraw/zinc/41/28/92/1064412892.db2.gz BZPRRWAMADVVLC-BGYRXZFFSA-N 0 0 475.628 4.519 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc1)N1CCSCC1 ZINC001434997549 1064413024 /nfs/dbraw/zinc/41/30/24/1064413024.db2.gz OVMLRUXVTWOCMQ-UHFFFAOYSA-N 0 0 458.889 4.609 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359773977 1064413416 /nfs/dbraw/zinc/41/34/16/1064413416.db2.gz FGSOHWZPWGVHMB-HBMCJLEFSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)CC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001359774035 1064413558 /nfs/dbraw/zinc/41/35/58/1064413558.db2.gz GTAJWTPDWNOIAA-HXUWFJFHSA-N 0 0 467.658 4.648 20 0 JJADRN CCCc1ccc([C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C(C)C)cc1 ZINC001434998771 1064413573 /nfs/dbraw/zinc/41/35/73/1064413573.db2.gz OQCOARVCADYQCW-AREMUKBSSA-N 0 0 456.652 4.870 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001359774253 1064414648 /nfs/dbraw/zinc/41/46/48/1064414648.db2.gz MLJXYXSKXMPFRR-HXUWFJFHSA-N 0 0 475.678 4.834 20 0 JJADRN O=C(CCCn1ccc2cc(Cl)ccc21)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC001434999684 1064414621 /nfs/dbraw/zinc/41/46/21/1064414621.db2.gz XTWQHQLRLAUORS-UHFFFAOYSA-N 0 0 456.011 4.832 20 0 JJADRN O=C(CCCc1ccccc1)N1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001435001476 1064416469 /nfs/dbraw/zinc/41/64/69/1064416469.db2.gz PEOKRDQSTUMJIR-UHFFFAOYSA-N 0 0 458.574 4.774 20 0 JJADRN Cc1nc2c(cccc2C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)o1 ZINC001435001800 1064416475 /nfs/dbraw/zinc/41/64/75/1064416475.db2.gz TWTAPLRBPBZJRU-UHFFFAOYSA-N 0 0 451.280 4.798 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359775229 1064416979 /nfs/dbraw/zinc/41/69/79/1064416979.db2.gz LFLNKQWWVYIVEG-CBPMLFEDSA-N 0 0 460.688 4.863 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001435002366 1064417102 /nfs/dbraw/zinc/41/71/02/1064417102.db2.gz PNONCEGJQGDEBP-YWZLYKJASA-N 0 0 457.514 4.781 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(O)c2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001359775327 1064417081 /nfs/dbraw/zinc/41/70/81/1064417081.db2.gz NJPALSVKGALYPT-KNQAVFIVSA-N 0 0 469.655 4.515 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1Br ZINC001435003216 1064418002 /nfs/dbraw/zinc/41/80/02/1064418002.db2.gz AXXJJIRNUDTDHQ-JKSUJKDBSA-N 0 0 456.167 4.923 20 0 JJADRN CC(C)C[C@H](NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435002367 1064418151 /nfs/dbraw/zinc/41/81/51/1064418151.db2.gz PNYYFSZPLXONQV-MOPGFXCFSA-N 0 0 458.521 4.935 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001359775794 1064418538 /nfs/dbraw/zinc/41/85/38/1064418538.db2.gz WSERICRNKLKOOP-IRXDYDNUSA-N 0 0 454.587 4.513 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359775792 1064418690 /nfs/dbraw/zinc/41/86/90/1064418690.db2.gz WSERICRNKLKOOP-DLBZAZTESA-N 0 0 454.587 4.513 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001435003499 1064418556 /nfs/dbraw/zinc/41/85/56/1064418556.db2.gz GSIUOQLGOSFWIS-UHFFFAOYSA-N 0 0 459.424 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)ccc21 ZINC001435004269 1064418566 /nfs/dbraw/zinc/41/85/66/1064418566.db2.gz GZVXQVDOWWSAMB-KRWDZBQOSA-N 0 0 453.514 4.505 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)C1 ZINC001435004784 1064419704 /nfs/dbraw/zinc/41/97/04/1064419704.db2.gz KRGPGPRWICAFKJ-INIZCTEOSA-N 0 0 456.892 4.920 20 0 JJADRN COc1ccc(C(=O)N(C(C)C)C2CCCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001435005233 1064419856 /nfs/dbraw/zinc/41/98/56/1064419856.db2.gz QLDWAJFBTAVSMB-GHTZIAJQSA-N 0 0 450.645 4.736 20 0 JJADRN COc1ccc(C(=O)N(C(C)C)C2CCCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001435005237 1064420306 /nfs/dbraw/zinc/42/03/06/1064420306.db2.gz QLDWAJFBTAVSMB-NQIIRXRSSA-N 0 0 450.645 4.736 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001435005580 1064420348 /nfs/dbraw/zinc/42/03/48/1064420348.db2.gz SKAUMOLTRRQASX-INIZCTEOSA-N 0 0 456.892 4.920 20 0 JJADRN COc1cc(-c2ccccc2)sc1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC001435005307 1064420514 /nfs/dbraw/zinc/42/05/14/1064420514.db2.gz WCTWLRUFJINUBL-UHFFFAOYSA-N 0 0 459.365 4.863 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001435006872 1064421974 /nfs/dbraw/zinc/42/19/74/1064421974.db2.gz RMAWMHFANVHJPF-URZJWIJPSA-N 0 0 457.521 4.525 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001359778166 1064423700 /nfs/dbraw/zinc/42/37/00/1064423700.db2.gz AFORKGYYAPDHMT-QGZVFWFLSA-N 0 0 453.553 4.721 20 0 JJADRN CCc1noc2ncc(C(=O)NCc3ccc(OCCOc4ccc(Cl)cc4)cc3)cc12 ZINC001435008297 1064424516 /nfs/dbraw/zinc/42/45/16/1064424516.db2.gz HLMBUBIENUOYOQ-UHFFFAOYSA-N 0 0 451.910 4.826 20 0 JJADRN COc1ccc2cc(NC(=O)Cc3ccc(Br)c(Br)c3)ccc2n1 ZINC001435009060 1064424613 /nfs/dbraw/zinc/42/46/13/1064424613.db2.gz OJRACBJGMKOYKL-UHFFFAOYSA-N 0 0 450.130 4.950 20 0 JJADRN C[C@@]1(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)COc2ccccc2O1 ZINC001435008417 1064424650 /nfs/dbraw/zinc/42/46/50/1064424650.db2.gz HMVGBARAHRRGHA-VWLOTQADSA-N 0 0 453.922 4.644 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001359779224 1064425094 /nfs/dbraw/zinc/42/50/94/1064425094.db2.gz GUUBEIFKPYQXIJ-HXUWFJFHSA-N 0 0 462.976 4.743 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435010421 1064425161 /nfs/dbraw/zinc/42/51/61/1064425161.db2.gz DDWIXGRQCYHKBK-UHFFFAOYSA-N 0 0 451.567 4.719 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001359779365 1064425401 /nfs/dbraw/zinc/42/54/01/1064425401.db2.gz KLWSBAFMADQBOC-KKSFZXQISA-N 0 0 467.561 4.623 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359779514 1064426019 /nfs/dbraw/zinc/42/60/19/1064426019.db2.gz PBCCZXMLMMEZIC-HXOBKFHXSA-N 0 0 494.583 4.894 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)c(OC)c1OC ZINC001435010810 1064426021 /nfs/dbraw/zinc/42/60/21/1064426021.db2.gz OCGAFNKEPLGNOT-UHFFFAOYSA-N 0 0 457.473 4.542 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@H]1CCn2ccnc2C1 ZINC001359780152 1064428016 /nfs/dbraw/zinc/42/80/16/1064428016.db2.gz LYYLABRKGQDQKL-KRWDZBQOSA-N 0 0 464.511 4.730 20 0 JJADRN CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)[C@@H]1CCCC[C@@H]1C ZINC001435012882 1064428560 /nfs/dbraw/zinc/42/85/60/1064428560.db2.gz HXHPXOGGLULBDZ-FMWKFLBASA-N 0 0 450.645 4.593 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)s2)n1Cc1ccnc(-n2cccn2)c1 ZINC001359780288 1064428640 /nfs/dbraw/zinc/42/86/40/1064428640.db2.gz QFXPWQAINBDIIY-UHFFFAOYSA-N 0 0 486.443 4.566 20 0 JJADRN CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC001435013176 1064429588 /nfs/dbraw/zinc/42/95/88/1064429588.db2.gz FDRUXVCQJOMMID-LAUBAEHRSA-N 0 0 451.350 4.567 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001435013789 1064430574 /nfs/dbraw/zinc/43/05/74/1064430574.db2.gz KJJQBDAHRXRZMW-UHFFFAOYSA-N 0 0 454.864 4.668 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cccc(Br)c2)n1CCCN(C)CC(F)(F)F ZINC001359781168 1064431547 /nfs/dbraw/zinc/43/15/47/1064431547.db2.gz XDDUAGLPMDRBNT-UHFFFAOYSA-N 0 0 476.385 4.760 20 0 JJADRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)CCC(=O)N3CCOc4ccccc43)cc2)c1 ZINC001435014117 1064431693 /nfs/dbraw/zinc/43/16/93/1064431693.db2.gz JESVUWLTIHACAF-OAQYLSRUSA-N 0 0 458.558 4.957 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359781654 1064432269 /nfs/dbraw/zinc/43/22/69/1064432269.db2.gz PSNYWANYXHXQQT-UZLBHIALSA-N 0 0 470.584 4.707 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC001435016764 1064433431 /nfs/dbraw/zinc/43/34/31/1064433431.db2.gz FMYZNUDNZNJEQQ-TZIWHRDSSA-N 0 0 454.615 4.860 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC001435016755 1064433599 /nfs/dbraw/zinc/43/35/99/1064433599.db2.gz FMYZNUDNZNJEQQ-FPOVZHCZSA-N 0 0 454.615 4.860 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1Cc1c(F)cccc1OC(F)F ZINC001359782155 1064434159 /nfs/dbraw/zinc/43/41/59/1064434159.db2.gz JPTHHUOZHRKKQQ-UHFFFAOYSA-N 0 0 492.527 4.612 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccnc(OCC2CC2)c1 ZINC001359782148 1064434242 /nfs/dbraw/zinc/43/42/42/1064434242.db2.gz JLDULYSRIPNWPA-UHFFFAOYSA-N 0 0 480.560 4.820 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359782422 1064434348 /nfs/dbraw/zinc/43/43/48/1064434348.db2.gz TUHNGZJBMBUSLJ-UHFFFAOYSA-N 0 0 473.594 4.786 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001359782635 1064434969 /nfs/dbraw/zinc/43/49/69/1064434969.db2.gz ZVRYVRUGWIANSW-UHFFFAOYSA-N 0 0 480.016 4.522 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1cnc2c(F)ccc(F)c2c1)[C@@H](C)c1ccccn1 ZINC001435017996 1064435246 /nfs/dbraw/zinc/43/52/46/1064435246.db2.gz MCHVNXNWPHHNCJ-AWEZNQCLSA-N 0 0 451.429 4.691 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1 ZINC001435019462 1064435874 /nfs/dbraw/zinc/43/58/74/1064435874.db2.gz QVEISIKQPKNFTE-GASCZTMLSA-N 0 0 450.457 4.666 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001435019237 1064435923 /nfs/dbraw/zinc/43/59/23/1064435923.db2.gz ZMNPOXDEQGTMLP-UHFFFAOYSA-N 0 0 454.260 4.946 20 0 JJADRN CC(C)Cc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001359783966 1064436092 /nfs/dbraw/zinc/43/60/92/1064436092.db2.gz ONIQUHMRLVOQBJ-URXFXBBRSA-N 0 0 491.474 4.646 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359783809 1064436217 /nfs/dbraw/zinc/43/62/17/1064436217.db2.gz KGPAWDNFXZNWCL-ODGPQVTHSA-N 0 0 493.618 4.965 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001435020012 1064436927 /nfs/dbraw/zinc/43/69/27/1064436927.db2.gz UGMDMUPEZOPRDX-HNNXBMFYSA-N 0 0 459.955 4.520 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CC(=O)NC1CCCCC1 ZINC001359784344 1064437020 /nfs/dbraw/zinc/43/70/20/1064437020.db2.gz YXHRHLFRTHSFQM-NVQXNPDNSA-N 0 0 467.658 4.530 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCc1csc(C(C)C)n1 ZINC001359784110 1064437095 /nfs/dbraw/zinc/43/70/95/1064437095.db2.gz ROAJLGVYKXDWTM-LJQANCHMSA-N 0 0 455.628 4.575 20 0 JJADRN CC(C)Cc1nnc(N(C)CCc2nccs2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001359784859 1064437582 /nfs/dbraw/zinc/43/75/82/1064437582.db2.gz QETPLWHZGSMQCF-UHFFFAOYSA-N 0 0 466.586 4.987 20 0 JJADRN CC(C)Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359784347 1064437861 /nfs/dbraw/zinc/43/78/61/1064437861.db2.gz YXMILGQBFXCYIA-RBBKRZOGSA-N 0 0 453.631 4.618 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1Cc1cccc(Br)n1 ZINC001359785237 1064438713 /nfs/dbraw/zinc/43/87/13/1064438713.db2.gz FQWOHFDBTDJOJQ-UHFFFAOYSA-N 0 0 478.822 4.851 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 ZINC001359785291 1064438931 /nfs/dbraw/zinc/43/89/31/1064438931.db2.gz HKVIBBDHZYTPQJ-UHFFFAOYSA-N 0 0 454.018 4.967 20 0 JJADRN CCC[C@H](NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)N1CCc2sccc2C1 ZINC001435021762 1064439720 /nfs/dbraw/zinc/43/97/20/1064439720.db2.gz UHCBLBSQTFODKD-IBGZPJMESA-N 0 0 453.633 4.917 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1C[C@H]1CSCCS1 ZINC001359786727 1064440780 /nfs/dbraw/zinc/44/07/80/1064440780.db2.gz HMJXNNFZSPORLH-HKUYNNGSSA-N 0 0 452.715 4.572 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359787078 1064441556 /nfs/dbraw/zinc/44/15/56/1064441556.db2.gz TUTPXEBMLCPHAP-FQEVSTJZSA-N 0 0 475.634 4.559 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359786864 1064441571 /nfs/dbraw/zinc/44/15/71/1064441571.db2.gz LLZIBNVQCXAIFJ-GMAHTHKFSA-N 0 0 485.673 4.918 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1C[C@@](C)(O)c1ccsc1 ZINC001359786841 1064441577 /nfs/dbraw/zinc/44/15/77/1064441577.db2.gz KUURKMMAHOAVFI-WMZHIEFXSA-N 0 0 460.669 4.693 20 0 JJADRN Cn1cc(Br)c(C(=O)Nc2ccc(-c3nc4c(cccc4Cl)[nH]3)cc2)cc1=O ZINC001435024671 1064442175 /nfs/dbraw/zinc/44/21/75/1064442175.db2.gz MHWJAESYJDKFDN-UHFFFAOYSA-N 0 0 457.715 4.597 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)Cc2ccccc2)n1CCn1cc(Br)cn1 ZINC001359787285 1064442254 /nfs/dbraw/zinc/44/22/54/1064442254.db2.gz YEBBEGZITBBPGJ-UHFFFAOYSA-N 0 0 483.414 4.936 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359787980 1064443313 /nfs/dbraw/zinc/44/33/13/1064443313.db2.gz SZIVEZHHDWBXMG-HOTGVXAUSA-N 0 0 485.492 4.503 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1OCc1ccc2ccccc2n1 ZINC001435026184 1064443842 /nfs/dbraw/zinc/44/38/42/1064443842.db2.gz QKJJRSLLGPUBJX-QGZVFWFLSA-N 0 0 459.468 4.645 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC001435026924 1064444649 /nfs/dbraw/zinc/44/46/49/1064444649.db2.gz BNIDXCSOMHCYSG-UHFFFAOYSA-N 0 0 459.351 4.996 20 0 JJADRN CC(C)Cc1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359789085 1064444839 /nfs/dbraw/zinc/44/48/39/1064444839.db2.gz KZHTXNNOGWNLFV-JVAFGIKQSA-N 0 0 489.705 4.954 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001359789280 1064444905 /nfs/dbraw/zinc/44/49/05/1064444905.db2.gz MPRHZVCOHVQYJW-DENIHFKCSA-N 0 0 485.648 4.988 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1cccc(Br)c1 ZINC001359788977 1064445030 /nfs/dbraw/zinc/44/50/30/1064445030.db2.gz AEGLZVUOAWBDBZ-INIZCTEOSA-N 0 0 452.356 4.828 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC001435028202 1064445417 /nfs/dbraw/zinc/44/54/17/1064445417.db2.gz HLZFZYKCWQRUHP-RHSMWYFYSA-N 0 0 455.805 4.722 20 0 JJADRN CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC001435027762 1064445619 /nfs/dbraw/zinc/44/56/19/1064445619.db2.gz MUYYMGITMYLZKC-UHFFFAOYSA-N 0 0 452.904 4.853 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001435029611 1064447221 /nfs/dbraw/zinc/44/72/21/1064447221.db2.gz SNAWBXQMEMWZDK-UHFFFAOYSA-N 0 0 450.417 4.987 20 0 JJADRN CCOc1ccc(N(C(=O)c2c(C)noc2C2CC2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435032150 1064449286 /nfs/dbraw/zinc/44/92/86/1064449286.db2.gz CJULXEHNBKCRMQ-UHFFFAOYSA-N 0 0 451.489 4.933 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)COC[C@@H](C)c4ccccc4)cc32)c1 ZINC001435031513 1064449400 /nfs/dbraw/zinc/44/94/00/1064449400.db2.gz IVXXHCUYKDNASD-HXUWFJFHSA-N 0 0 458.558 4.586 20 0 JJADRN CCC(CC)(CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC001435033842 1064449950 /nfs/dbraw/zinc/44/99/50/1064449950.db2.gz LLDZXIUARZOXML-BHYGNILZSA-N 0 0 453.410 4.731 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359792235 1064450085 /nfs/dbraw/zinc/45/00/85/1064450085.db2.gz ITLXOSSPFIOFFG-XVWGUNQUSA-N 0 0 458.603 4.551 20 0 JJADRN CCN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034210 1064450884 /nfs/dbraw/zinc/45/08/84/1064450884.db2.gz GPZSNRMRFSFIAL-XMMPIXPASA-N 0 0 455.480 4.647 20 0 JJADRN CCC[C@@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(S(=O)(=O)CCOC)c1Cl ZINC001435034266 1064451049 /nfs/dbraw/zinc/45/10/49/1064451049.db2.gz CGZGNYUODOZHKG-INIZCTEOSA-N 0 0 458.407 4.555 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC001435035532 1064451891 /nfs/dbraw/zinc/45/18/91/1064451891.db2.gz NBCSCTJQHDXLOY-UHFFFAOYSA-N 0 0 450.663 4.651 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359793522 1064451918 /nfs/dbraw/zinc/45/19/18/1064451918.db2.gz PLVIYMAMBVDFEC-DCFHFQCYSA-N 0 0 499.656 4.646 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359793823 1064451967 /nfs/dbraw/zinc/45/19/67/1064451967.db2.gz RLUYMQVPHYPIDQ-PXNSSMCTSA-N 0 0 485.620 4.779 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1cc(Br)nc(Br)c1)O[C@H](C)C2 ZINC001359793914 1064451995 /nfs/dbraw/zinc/45/19/95/1064451995.db2.gz NQQFDQSXNKVANX-SECBINFHSA-N 0 0 456.134 4.581 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c(C)c1Br ZINC001435037543 1064452364 /nfs/dbraw/zinc/45/23/64/1064452364.db2.gz HTPUMBATIJLVGR-UHFFFAOYSA-N 0 0 456.388 4.829 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1[C@H]1C[C@H]1C ZINC001545888324 1064452707 /nfs/dbraw/zinc/45/27/07/1064452707.db2.gz HONDQERDYUOYBT-VGSWGCGISA-N 0 0 453.631 4.765 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359795889 1064454363 /nfs/dbraw/zinc/45/43/63/1064454363.db2.gz QPHUJJMTZIXNEC-UHFFFAOYSA-N 0 0 453.456 4.893 20 0 JJADRN C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)C(N)=O ZINC001435038797 1064454511 /nfs/dbraw/zinc/45/45/11/1064454511.db2.gz WKEQCAGTVYQWMX-SNVBAGLBSA-N 0 0 450.998 4.561 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359795650 1064454587 /nfs/dbraw/zinc/45/45/87/1064454587.db2.gz LPSRFYNYCKHYRZ-UHFFFAOYSA-N 0 0 462.438 4.892 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(N(C)C(C)C)c3)c2)cc1 ZINC001435038292 1064454641 /nfs/dbraw/zinc/45/46/41/1064454641.db2.gz KBPSHVWQZBSJBP-UHFFFAOYSA-N 0 0 451.592 4.917 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(=O)OC ZINC001435039146 1064455445 /nfs/dbraw/zinc/45/54/45/1064455445.db2.gz CLEJOSMXTAGBHZ-LHSJRXKWSA-N 0 0 455.352 4.982 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001435039629 1064456321 /nfs/dbraw/zinc/45/63/21/1064456321.db2.gz QKNHNRULLCLWNN-OAQYLSRUSA-N 0 0 455.603 4.860 20 0 JJADRN Cc1c(I)cccc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 ZINC001435040373 1064457073 /nfs/dbraw/zinc/45/70/73/1064457073.db2.gz MXNNWMXMHQRXHK-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001359796985 1064458031 /nfs/dbraw/zinc/45/80/31/1064458031.db2.gz QURUNAKLTGFDTF-UHFFFAOYSA-N 0 0 495.590 4.549 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21)c1ccccc1 ZINC001435042218 1064458875 /nfs/dbraw/zinc/45/88/75/1064458875.db2.gz PKLFUKDQQYUICR-NDEPHWFRSA-N 0 0 456.542 4.825 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001435043642 1064460961 /nfs/dbraw/zinc/46/09/61/1064460961.db2.gz KBDLFICNJGFNLY-UHFFFAOYSA-N 0 0 451.571 4.542 20 0 JJADRN COc1cc(Br)ccc1C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001435045499 1064461912 /nfs/dbraw/zinc/46/19/12/1064461912.db2.gz FDFAJHMVERZBKO-GOSISDBHSA-N 0 0 451.792 4.896 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCC(F)(F)F ZINC001359798572 1064462280 /nfs/dbraw/zinc/46/22/80/1064462280.db2.gz KYHINPKYWUZSDG-JKSUJKDBSA-N 0 0 479.613 4.512 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCc1nc2ccccc2[nH]1 ZINC001359798642 1064462387 /nfs/dbraw/zinc/46/23/87/1064462387.db2.gz MHSVLPUHPGFDMY-WOJBJXKFSA-N 0 0 495.672 4.725 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cs1 ZINC001435046577 1064462872 /nfs/dbraw/zinc/46/28/72/1064462872.db2.gz KAFLPRFNGKRCHN-OAQYLSRUSA-N 0 0 457.555 4.799 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001359798775 1064463051 /nfs/dbraw/zinc/46/30/51/1064463051.db2.gz PLTIXHOUFVZSFR-BZSNNMDCSA-N 0 0 455.594 4.652 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1cccc(Cl)c1 ZINC001435047342 1064463719 /nfs/dbraw/zinc/46/37/19/1064463719.db2.gz PCFAMBXUOPJGCX-DEOSSOPVSA-N 0 0 458.949 4.814 20 0 JJADRN COc1cccc2c1OC[C@H](NC(=O)c1ccc(-c3ccc(Br)s3)s1)C2 ZINC001435047735 1064463729 /nfs/dbraw/zinc/46/37/29/1064463729.db2.gz XGDXTBJMUUDYAA-GFCCVEGCSA-N 0 0 450.379 4.981 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1cccc2cccnc21 ZINC001359798978 1064464000 /nfs/dbraw/zinc/46/40/00/1064464000.db2.gz VFEOJFKJWLEADR-QHCPKHFHSA-N 0 0 461.532 4.603 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cnc(Br)c(Cl)c1 ZINC001435047808 1064464562 /nfs/dbraw/zinc/46/45/62/1064464562.db2.gz TYKWWFSHEYBTRY-MRXNPFEDSA-N 0 0 457.199 4.935 20 0 JJADRN O=C(COc1ccccc1Br)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001435048491 1064465542 /nfs/dbraw/zinc/46/55/42/1064465542.db2.gz DAYUPVJXMUNRQK-UHFFFAOYSA-N 0 0 452.308 4.693 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC001435048831 1064466384 /nfs/dbraw/zinc/46/63/84/1064466384.db2.gz HGZSHMYZTIWWDB-HSZRJFAPSA-N 0 0 450.922 4.903 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC(F)(F)Br ZINC001359800794 1064467872 /nfs/dbraw/zinc/46/78/72/1064467872.db2.gz KXAVNDASAZKWOP-GOSISDBHSA-N 0 0 475.353 4.553 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001435050315 1064468208 /nfs/dbraw/zinc/46/82/08/1064468208.db2.gz WZIVKCPDDNQDOF-NRFANRHFSA-N 0 0 451.910 4.797 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CC1(C)CCOCC1 ZINC001359801516 1064468555 /nfs/dbraw/zinc/46/85/55/1064468555.db2.gz WRWQDFMGWKSUII-QHCPKHFHSA-N 0 0 461.050 4.897 20 0 JJADRN O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CCC(n2cc(Br)cn2)CC1 ZINC001435050925 1064469240 /nfs/dbraw/zinc/46/92/40/1064469240.db2.gz BZYKGGMFJXXBNK-UHFFFAOYSA-N 0 0 451.777 4.900 20 0 JJADRN Cc1c(C(=O)NCC2(Sc3ccccc3)CCCC2)nnn1CCOc1ccc(F)cc1 ZINC001435050945 1064469328 /nfs/dbraw/zinc/46/93/28/1064469328.db2.gz CSGJUDDGKWLBCU-UHFFFAOYSA-N 0 0 454.571 4.640 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc(Br)s1 ZINC001435051578 1064469795 /nfs/dbraw/zinc/46/97/95/1064469795.db2.gz HBGOOODLMOLEOS-AWEZNQCLSA-N 0 0 458.385 4.889 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)c1ccccc1Br ZINC001435051782 1064469998 /nfs/dbraw/zinc/46/99/98/1064469998.db2.gz CGVONGJSPYDNEQ-HXUWFJFHSA-N 0 0 455.308 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001359802607 1064470825 /nfs/dbraw/zinc/47/08/25/1064470825.db2.gz RVDZJUDVGYBLMK-FXAWDEMLSA-N 0 0 457.420 4.518 20 0 JJADRN CC1CCN(C(=S)SCC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC001435052987 1064471115 /nfs/dbraw/zinc/47/11/15/1064471115.db2.gz MNYHOHWARVDSOP-HXUWFJFHSA-N 0 0 454.105 4.561 20 0 JJADRN CC(C)c1noc(CCNC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)n1 ZINC001435052854 1064471155 /nfs/dbraw/zinc/47/11/55/1064471155.db2.gz LJILTBJQUIYWBF-UHFFFAOYSA-N 0 0 458.349 4.875 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001435053283 1064471902 /nfs/dbraw/zinc/47/19/02/1064471902.db2.gz OZHMDIPSNSBUSA-UHFFFAOYSA-N 0 0 455.308 4.910 20 0 JJADRN CSc1ncc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)n1-c1ccc(F)cc1 ZINC001435053166 1064471945 /nfs/dbraw/zinc/47/19/45/1064471945.db2.gz OLIGSVDYZRAWSH-UHFFFAOYSA-N 0 0 459.974 4.865 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)c1 ZINC001435053429 1064471968 /nfs/dbraw/zinc/47/19/68/1064471968.db2.gz RGRJVRSBCFWEFS-UHFFFAOYSA-N 0 0 450.922 4.918 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)NCC1(c2ccccc2Cl)CCOCC1 ZINC001435053656 1064472053 /nfs/dbraw/zinc/47/20/53/1064472053.db2.gz WAEIVMXWKVNESB-UHFFFAOYSA-N 0 0 458.730 4.788 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2ccc(Br)cc2C(F)(F)F)C2CC2)cc1 ZINC001359803870 1064472885 /nfs/dbraw/zinc/47/28/85/1064472885.db2.gz OMUQLRMPFWBURC-UHFFFAOYSA-N 0 0 455.274 4.632 20 0 JJADRN CCCC[C@@H](NC(=O)c1ccc(I)cc1OC)c1ccc(OC)cc1 ZINC001435054761 1064472986 /nfs/dbraw/zinc/47/29/86/1064472986.db2.gz FVRRIEAIYGCRQA-GOSISDBHSA-N 0 0 453.320 4.970 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)c1ccncc1 ZINC001435055052 1064473601 /nfs/dbraw/zinc/47/36/01/1064473601.db2.gz NJWHBKZJSLGNJU-UHFFFAOYSA-N 0 0 459.575 4.792 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001435055620 1064473625 /nfs/dbraw/zinc/47/36/25/1064473625.db2.gz GRPGTXIVMGPVHR-KSFYIVLOSA-N 0 0 453.583 4.723 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 ZINC001435055575 1064473675 /nfs/dbraw/zinc/47/36/75/1064473675.db2.gz VFKZCYXKPMIVNV-UHFFFAOYSA-N 0 0 451.470 4.858 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359805315 1064474531 /nfs/dbraw/zinc/47/45/31/1064474531.db2.gz JUIZAVQPMLUVHW-JOCHJYFZSA-N 0 0 480.575 4.857 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cn3cc(C)ccc3n2)c2ccccc2)cc1Br ZINC001435056316 1064474637 /nfs/dbraw/zinc/47/46/37/1064474637.db2.gz NVFVFXMEUUPVFB-QFIPXVFZSA-N 0 0 450.336 4.933 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359805525 1064475209 /nfs/dbraw/zinc/47/52/09/1064475209.db2.gz OGAQJOJTVANIFI-JOCHJYFZSA-N 0 0 463.592 4.820 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359806178 1064476197 /nfs/dbraw/zinc/47/61/97/1064476197.db2.gz QRKNRJIJDHOWRM-UYAOXDASSA-N 0 0 488.702 4.963 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC001435057653 1064476221 /nfs/dbraw/zinc/47/62/21/1064476221.db2.gz BNNPCWPNECFNNU-HXUWFJFHSA-N 0 0 453.048 4.830 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c1I ZINC001435057546 1064476286 /nfs/dbraw/zinc/47/62/86/1064476286.db2.gz SKQPFOWZIUHHSO-UHFFFAOYSA-N 0 0 454.699 4.765 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001435058219 1064477281 /nfs/dbraw/zinc/47/72/81/1064477281.db2.gz XGSALQVQMKCVBI-LBPRGKRZSA-N 0 0 453.511 4.766 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC001435058925 1064477335 /nfs/dbraw/zinc/47/73/35/1064477335.db2.gz COIPJOATTWFRCO-IFXJQAMLSA-N 0 0 453.391 4.918 20 0 JJADRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435059231 1064478163 /nfs/dbraw/zinc/47/81/63/1064478163.db2.gz SEDXBLGXCUHZGL-HNNXBMFYSA-N 0 0 458.527 4.696 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001435060696 1064478780 /nfs/dbraw/zinc/47/87/80/1064478780.db2.gz NITKKKVVURJJOW-NTKDMRAZSA-N 0 0 458.583 4.870 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC001435060353 1064478852 /nfs/dbraw/zinc/47/88/52/1064478852.db2.gz ADPNHGQAIMXUMC-FQEVSTJZSA-N 0 0 453.589 4.589 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)ccc2Br)c(C)c1 ZINC001435060434 1064479112 /nfs/dbraw/zinc/47/91/12/1064479112.db2.gz MCTHTKOLPMYIOA-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001359808114 1064479826 /nfs/dbraw/zinc/47/98/26/1064479826.db2.gz JAXRDXBZUAHEKK-UHFFFAOYSA-N 0 0 499.700 4.836 20 0 JJADRN CC(C)Cc1nnc(N2CCC(COc3ccccc3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359808966 1064481465 /nfs/dbraw/zinc/48/14/65/1064481465.db2.gz BUWIVKAACSNXLJ-UHFFFAOYSA-N 0 0 468.671 4.969 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1Cc1ccc(F)cc1F ZINC001359808978 1064481536 /nfs/dbraw/zinc/48/15/36/1064481536.db2.gz CIFFWGKTJCBJJO-UHFFFAOYSA-N 0 0 463.573 4.544 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)c(Br)c2)c(C)c1 ZINC001435063272 1064481677 /nfs/dbraw/zinc/48/16/77/1064481677.db2.gz YICQILRJSDKGSI-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2ccccc21 ZINC001359809085 1064482711 /nfs/dbraw/zinc/48/27/11/1064482711.db2.gz GNMBGWZCBLISQW-PZJWPPBQSA-N 0 0 453.631 4.558 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435064198 1064483371 /nfs/dbraw/zinc/48/33/71/1064483371.db2.gz CAOJVSVKQGDHHF-AFMDSPMNSA-N 0 0 453.583 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359809437 1064483386 /nfs/dbraw/zinc/48/33/86/1064483386.db2.gz QDNAKKUXOCYTMY-KCZVDYSFSA-N 0 0 477.694 4.669 20 0 JJADRN COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c(OC(F)F)c1 ZINC001435064693 1064484162 /nfs/dbraw/zinc/48/41/62/1064484162.db2.gz LDCKRXWUBNETMO-UHFFFAOYSA-N 0 0 459.449 4.819 20 0 JJADRN COc1cccc(N2CCC(NC(=O)CCc3cc(Cl)ccc3Br)CC2)c1 ZINC001435064611 1064484290 /nfs/dbraw/zinc/48/42/90/1064484290.db2.gz LUJXIOWWDTZQHJ-UHFFFAOYSA-N 0 0 451.792 4.829 20 0 JJADRN COc1ccc(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC1CCCC1 ZINC001359810641 1064485103 /nfs/dbraw/zinc/48/51/03/1064485103.db2.gz RSBJHNQNTHNZCC-UHFFFAOYSA-N 0 0 459.542 4.943 20 0 JJADRN COc1cccc(N2CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCCC3)CC2)c1 ZINC001435065577 1064485061 /nfs/dbraw/zinc/48/50/61/1064485061.db2.gz PWIHJEMJWUYEHM-HSZRJFAPSA-N 0 0 459.631 4.644 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359811423 1064486768 /nfs/dbraw/zinc/48/67/68/1064486768.db2.gz NKSMJQHKABULOS-GOSISDBHSA-N 0 0 490.718 4.919 20 0 JJADRN CCN(C(=O)c1cccc2c1OCCO2)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435066802 1064486774 /nfs/dbraw/zinc/48/67/74/1064486774.db2.gz JIIKWYXZIVPAIF-OAQYLSRUSA-N 0 0 453.336 4.867 20 0 JJADRN CC(C)Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1Cc1cccc(Br)n1 ZINC001359811707 1064487612 /nfs/dbraw/zinc/48/76/12/1064487612.db2.gz WLYQHCLOXTWCLW-UHFFFAOYSA-N 0 0 483.458 4.788 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001359812051 1064488347 /nfs/dbraw/zinc/48/83/47/1064488347.db2.gz AZCYFBOFMJSTJK-JWQCQUIFSA-N 0 0 457.014 4.778 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359812035 1064488402 /nfs/dbraw/zinc/48/84/02/1064488402.db2.gz GYJYFRMHLWHEBA-OAQYLSRUSA-N 0 0 483.554 4.839 20 0 JJADRN O=C(c1c(Cl)cccc1Br)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001435068618 1064489278 /nfs/dbraw/zinc/48/92/78/1064489278.db2.gz RTEJFVJOWPZLNR-UHFFFAOYSA-N 0 0 450.789 4.670 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCc1csc(-c2ccccc2)n1 ZINC001359812127 1064489352 /nfs/dbraw/zinc/48/93/52/1064489352.db2.gz HHIFBHLYCHCBLR-UHFFFAOYSA-N 0 0 480.682 4.584 20 0 JJADRN CCN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001435068724 1064490407 /nfs/dbraw/zinc/49/04/07/1064490407.db2.gz SRBDNKAWWUOXSI-QFIPXVFZSA-N 0 0 458.530 4.779 20 0 JJADRN CCN(C(=O)c1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435068644 1064490624 /nfs/dbraw/zinc/49/06/24/1064490624.db2.gz SBLCCDBGMQWPBF-DEOSSOPVSA-N 0 0 453.945 4.962 20 0 JJADRN CCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069264 1064491153 /nfs/dbraw/zinc/49/11/53/1064491153.db2.gz XBMGSNUZHWVOAS-DEOSSOPVSA-N 0 0 456.995 4.709 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069464 1064491203 /nfs/dbraw/zinc/49/12/03/1064491203.db2.gz YVKPGLDQQOTXQJ-KOSHJBKYSA-N 0 0 451.929 4.865 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359814506 1064491891 /nfs/dbraw/zinc/49/18/91/1064491891.db2.gz IIMUZCXOUCHNMJ-NRFANRHFSA-N 0 0 483.657 4.950 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCOc2ccccc21 ZINC001359814536 1064491929 /nfs/dbraw/zinc/49/19/29/1064491929.db2.gz JJOYDHSPVCPIIR-LJQANCHMSA-N 0 0 469.630 4.536 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)CC2)cc1 ZINC001435070415 1064492065 /nfs/dbraw/zinc/49/20/65/1064492065.db2.gz ZGXTUTMUZZAJKU-UHFFFAOYSA-N 0 0 451.586 4.578 20 0 JJADRN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1ccc(Br)cc1C(F)(F)F ZINC001435070555 1064492110 /nfs/dbraw/zinc/49/21/10/1064492110.db2.gz GKUCHCATHDWJMA-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359814595 1064492849 /nfs/dbraw/zinc/49/28/49/1064492849.db2.gz KRQCBFYBQBYLGE-WIYYLYMNSA-N 0 0 491.080 4.536 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1 ZINC001435071700 1064493738 /nfs/dbraw/zinc/49/37/38/1064493738.db2.gz UBQFZZVWZSPNPY-UHFFFAOYSA-N 0 0 454.530 4.748 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)cc1 ZINC001435071668 1064493989 /nfs/dbraw/zinc/49/39/89/1064493989.db2.gz BEMAHZJEGAALRW-KRWDZBQOSA-N 0 0 451.589 4.715 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C1CC1 ZINC001435072584 1064494645 /nfs/dbraw/zinc/49/46/45/1064494645.db2.gz JOYUYFLQFUAVIV-YWZLYKJASA-N 0 0 450.362 4.926 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1sc(-c2c(C)noc2C)nc1C)C1CC1 ZINC001435072641 1064494762 /nfs/dbraw/zinc/49/47/62/1064494762.db2.gz JVCMKCFJPUFEOK-IBGZPJMESA-N 0 0 453.564 4.502 20 0 JJADRN CSCc1noc(CCC(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)n1 ZINC001435072924 1064494906 /nfs/dbraw/zinc/49/49/06/1064494906.db2.gz NQAUVMOAUNOCRL-LBPRGKRZSA-N 0 0 453.280 4.865 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2ccc(Br)cc2)c(Br)c1 ZINC001435073431 1064495642 /nfs/dbraw/zinc/49/56/42/1064495642.db2.gz IMCRWORKNKCYOE-AWEZNQCLSA-N 0 0 455.190 4.988 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359815678 1064497064 /nfs/dbraw/zinc/49/70/64/1064497064.db2.gz RVIJRZBDCCVCFK-FQEVSTJZSA-N 0 0 457.638 4.926 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCCC1 ZINC001435075185 1064497187 /nfs/dbraw/zinc/49/71/87/1064497187.db2.gz ZTIGTYLLOYPWRQ-UHFFFAOYSA-N 0 0 456.543 4.692 20 0 JJADRN COc1ccc(CCC(=O)N(C)CCc2ccc(Br)cc2)cc1Br ZINC001435075129 1064497233 /nfs/dbraw/zinc/49/72/33/1064497233.db2.gz ODCLPQVFGAPHOL-UHFFFAOYSA-N 0 0 455.190 4.854 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001359815902 1064498111 /nfs/dbraw/zinc/49/81/11/1064498111.db2.gz ZDQPOJBFCKAGTM-UHFFFAOYSA-N 0 0 456.631 4.619 20 0 JJADRN CCCc1sc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1Br ZINC001435075804 1064498303 /nfs/dbraw/zinc/49/83/03/1064498303.db2.gz LEUJFAGOBMBPTR-OAHLLOKOSA-N 0 0 455.805 4.994 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1CC(F)(F)Br ZINC001359817654 1064500639 /nfs/dbraw/zinc/50/06/39/1064500639.db2.gz HGAFBOVJWGXGDZ-ZDUSSCGKSA-N 0 0 463.754 4.775 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001359817918 1064501390 /nfs/dbraw/zinc/50/13/90/1064501390.db2.gz OBKNPKVFOJOCFP-NRFANRHFSA-N 0 0 489.542 4.657 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)nc2ncnn21 ZINC001435079232 1064501430 /nfs/dbraw/zinc/50/14/30/1064501430.db2.gz QKJKDYFAXSFKKF-UHFFFAOYSA-N 0 0 456.428 4.880 20 0 JJADRN CCN(C(=O)CCCn1c(=O)oc2ccccc21)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001435079113 1064501635 /nfs/dbraw/zinc/50/16/35/1064501635.db2.gz IQGGDELAWCLVCA-XMMPIXPASA-N 0 0 451.473 4.686 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(C(=O)NC(C)C)cc1)C1CC1 ZINC001435080244 1064502088 /nfs/dbraw/zinc/50/20/88/1064502088.db2.gz FDOJTACWOHSUGA-UHFFFAOYSA-N 0 0 459.384 4.791 20 0 JJADRN Cc1ccc(CC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1Br ZINC001359818374 1064502379 /nfs/dbraw/zinc/50/23/79/1064502379.db2.gz CEOVJCBLZAXLCJ-UHFFFAOYSA-N 0 0 452.348 4.973 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001435081102 1064502996 /nfs/dbraw/zinc/50/29/96/1064502996.db2.gz URHFOMNHCBKIPW-BTYIYWSLSA-N 0 0 457.546 4.647 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001435081736 1064503164 /nfs/dbraw/zinc/50/31/64/1064503164.db2.gz SGVNQPUMLAAIPA-HSZRJFAPSA-N 0 0 458.530 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCCCNC(=O)OC(C)(C)C ZINC001359819561 1064503274 /nfs/dbraw/zinc/50/32/74/1064503274.db2.gz SDGGXSLVYJTSKJ-HRAATJIYSA-N 0 0 474.477 4.802 20 0 JJADRN Cn1c(CCNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccc(F)cc21 ZINC001435082260 1064503729 /nfs/dbraw/zinc/50/37/29/1064503729.db2.gz FTUWVSGKMGTUKN-HSZRJFAPSA-N 0 0 455.892 4.984 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001359820225 1064503931 /nfs/dbraw/zinc/50/39/31/1064503931.db2.gz JEJZJILCMTXUDR-HSZRJFAPSA-N 0 0 451.567 4.718 20 0 JJADRN CCCN(C(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082466 1064504287 /nfs/dbraw/zinc/50/42/87/1064504287.db2.gz HBFIUVJPBVQTPC-MJGOQNOKSA-N 0 0 451.405 4.727 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001435083119 1064504900 /nfs/dbraw/zinc/50/49/00/1064504900.db2.gz IRGKLQIFQFCBFA-HNNXBMFYSA-N 0 0 455.267 4.549 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC001435083176 1064504931 /nfs/dbraw/zinc/50/49/31/1064504931.db2.gz LTAMBJWWJOCHLB-UHFFFAOYSA-N 0 0 453.652 4.684 20 0 JJADRN Cc1c(C(=O)NCCc2ccc(OCC(C)C)cc2)cnn1-c1ccc(Br)cc1 ZINC001435084957 1064506085 /nfs/dbraw/zinc/50/60/85/1064506085.db2.gz MJWJDRKSGWIOBE-UHFFFAOYSA-N 0 0 456.384 4.951 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(F)cc3C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359823764 1064506257 /nfs/dbraw/zinc/50/62/57/1064506257.db2.gz ZRDAKUXJUFBWPE-LJQANCHMSA-N 0 0 471.621 4.826 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001359824414 1064506709 /nfs/dbraw/zinc/50/67/09/1064506709.db2.gz MJYMXOMTSLKHEU-KXBFYZLASA-N 0 0 454.489 4.953 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC001435087476 1064506946 /nfs/dbraw/zinc/50/69/46/1064506946.db2.gz TXHDXIRBBASAAB-OAQYLSRUSA-N 0 0 453.396 4.551 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC001435086800 1064507004 /nfs/dbraw/zinc/50/70/04/1064507004.db2.gz DSAFWQYLTSKGAV-KRWDZBQOSA-N 0 0 459.514 4.617 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c(C)c1 ZINC001359824524 1064507201 /nfs/dbraw/zinc/50/72/01/1064507201.db2.gz OXGLJKQPUSJUIK-HXUWFJFHSA-N 0 0 459.999 4.705 20 0 JJADRN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001359824478 1064507288 /nfs/dbraw/zinc/50/72/88/1064507288.db2.gz NZZRQQCHOOFSNT-ZDUSSCGKSA-N 0 0 453.973 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1CCSC1(C)C ZINC001545888672 1064507464 /nfs/dbraw/zinc/50/74/64/1064507464.db2.gz UDROAWDXUSQEPC-GOSISDBHSA-N 0 0 476.090 4.944 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@@H](C)SC ZINC001545888658 1064507694 /nfs/dbraw/zinc/50/76/94/1064507694.db2.gz SZYQCSQGHZNIGU-GOSISDBHSA-N 0 0 487.714 4.936 20 0 JJADRN O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001435091023 1064508284 /nfs/dbraw/zinc/50/82/84/1064508284.db2.gz PKAVZJSWVICDBH-FQEVSTJZSA-N 0 0 452.476 4.728 20 0 JJADRN O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001435091028 1064508459 /nfs/dbraw/zinc/50/84/59/1064508459.db2.gz PKAVZJSWVICDBH-HXUWFJFHSA-N 0 0 452.476 4.728 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)N[C@H](COc1ccccc1)c1ccccc1 ZINC001435091663 1064508744 /nfs/dbraw/zinc/50/87/44/1064508744.db2.gz OECFOLREEOPBBU-HSZRJFAPSA-N 0 0 454.364 4.945 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3ccc4nnnn4c3)cc2Cl)c(Br)c1 ZINC001435091388 1064508757 /nfs/dbraw/zinc/50/87/57/1064508757.db2.gz SGLLHTHETLPRDR-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001435091665 1064508772 /nfs/dbraw/zinc/50/87/72/1064508772.db2.gz OECFOLREEOPBBU-QHCPKHFHSA-N 0 0 454.364 4.945 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC001435091362 1064508819 /nfs/dbraw/zinc/50/88/19/1064508819.db2.gz RTYUYMZAVJGOQB-GOSISDBHSA-N 0 0 452.986 4.847 20 0 JJADRN CC(C)Cc1nnc(N2CCC=C(Br)C2)n1C[C@]1(C)OCCc2sccc21 ZINC001359826814 1064508810 /nfs/dbraw/zinc/50/88/10/1064508810.db2.gz RMNGAAKJROAKNK-FQEVSTJZSA-N 0 0 451.434 4.515 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1C[C@@H](C)c1nccs1 ZINC001359826954 1064508829 /nfs/dbraw/zinc/50/88/29/1064508829.db2.gz STBKWMSQALNUNO-SJORKVTESA-N 0 0 488.061 4.640 20 0 JJADRN O=C(Cc1cccs1)Nc1nc(CC(=O)OCc2cnc(-c3ccccc3)s2)cs1 ZINC001435091473 1064508965 /nfs/dbraw/zinc/50/89/65/1064508965.db2.gz UQUBUWGMJPOLCQ-UHFFFAOYSA-N 0 0 455.586 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H](C)c1nccs1 ZINC001545888690 1064509468 /nfs/dbraw/zinc/50/94/68/1064509468.db2.gz UTWYQHDEWBIHLG-OAHLLOKOSA-N 0 0 473.046 4.673 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)no1 ZINC001435093684 1064509890 /nfs/dbraw/zinc/50/98/90/1064509890.db2.gz ARFORADUDRVCCI-NXEZZACHSA-N 0 0 450.775 4.881 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)no1 ZINC001435093688 1064509912 /nfs/dbraw/zinc/50/99/12/1064509912.db2.gz ARFORADUDRVCCI-ZJUUUORDSA-N 0 0 450.775 4.881 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1CCc1ccc(Cl)c(OC)c1 ZINC001545888713 1064509926 /nfs/dbraw/zinc/50/99/26/1064509926.db2.gz VNUMAGZBZLTECR-UHFFFAOYSA-N 0 0 488.057 4.725 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)c12 ZINC001359829253 1064510830 /nfs/dbraw/zinc/51/08/30/1064510830.db2.gz SESCSBCIGHVISE-UHFFFAOYSA-N 0 0 452.555 4.692 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001359828784 1064510892 /nfs/dbraw/zinc/51/08/92/1064510892.db2.gz JAPWKCSJKROUKB-FQEVSTJZSA-N 0 0 455.580 4.804 20 0 JJADRN CCCc1sc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2)cc1Br ZINC001359829630 1064511420 /nfs/dbraw/zinc/51/14/20/1064511420.db2.gz SILZKKGPQBLOIN-OAHLLOKOSA-N 0 0 453.427 4.925 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCc1ccccn1 ZINC001359830303 1064512717 /nfs/dbraw/zinc/51/27/17/1064512717.db2.gz GOYADECTFPTZOE-INIZCTEOSA-N 0 0 464.561 4.974 20 0 JJADRN COc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c(C(=O)NC2CC2)c1 ZINC001435098272 1064512705 /nfs/dbraw/zinc/51/27/05/1064512705.db2.gz MSYFOUWTQDGBOV-UHFFFAOYSA-N 0 0 459.930 4.840 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1C ZINC001435098853 1064513170 /nfs/dbraw/zinc/51/31/70/1064513170.db2.gz IURJCCYDMICTHC-UHFFFAOYSA-N 0 0 452.942 4.721 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(Br)nn2-c2ncccc2Cl)s1 ZINC001435099046 1064513450 /nfs/dbraw/zinc/51/34/50/1064513450.db2.gz HOPRLAIPQQRDQB-JTQLQIEISA-N 0 0 454.781 4.590 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359830711 1064513569 /nfs/dbraw/zinc/51/35/69/1064513569.db2.gz PHLTUPFURSKKDV-HOTGVXAUSA-N 0 0 454.512 4.724 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359830728 1064513605 /nfs/dbraw/zinc/51/36/05/1064513605.db2.gz PODHJWXEAQZCOY-KRWDZBQOSA-N 0 0 455.607 4.701 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2cc(C)nc3cc(Br)ccc32)cc1 ZINC001435102832 1064515026 /nfs/dbraw/zinc/51/50/26/1064515026.db2.gz GGHIMCSQYNOQPY-UHFFFAOYSA-N 0 0 457.324 4.890 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1 ZINC001435102915 1064515526 /nfs/dbraw/zinc/51/55/26/1064515526.db2.gz ICGXGULMXSXGCS-UHFFFAOYSA-N 0 0 451.523 4.910 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1=O ZINC001435104346 1064515560 /nfs/dbraw/zinc/51/55/60/1064515560.db2.gz ZFSYPNANIIQTCL-MOPGFXCFSA-N 0 0 452.551 4.524 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001359832397 1064516002 /nfs/dbraw/zinc/51/60/02/1064516002.db2.gz JEQDCLILXKNBOJ-NOOIUNMQSA-N 0 0 481.685 4.633 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001359832589 1064516060 /nfs/dbraw/zinc/51/60/60/1064516060.db2.gz MBMXFKGGAVQLHS-NRFANRHFSA-N 0 0 482.673 4.829 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2cc(I)ccc2C)cc1 ZINC001435106429 1064516250 /nfs/dbraw/zinc/51/62/50/1064516250.db2.gz FOTVVLHYSPUJMQ-AWEZNQCLSA-N 0 0 455.361 4.829 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107157 1064516847 /nfs/dbraw/zinc/51/68/47/1064516847.db2.gz BSRGTXZBCCDEAK-HSZRJFAPSA-N 0 0 450.897 4.598 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108235 1064517689 /nfs/dbraw/zinc/51/76/89/1064517689.db2.gz DTWKITLZQMRFIA-UQBPGWFLSA-N 0 0 451.611 4.536 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)s1 ZINC001435108248 1064517878 /nfs/dbraw/zinc/51/78/78/1064517878.db2.gz JWYNREORVMQVBW-UHFFFAOYSA-N 0 0 459.612 4.951 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1nn(C)cc1I)[C@H]1CCC[C@@H](C)C1 ZINC001435108797 1064518346 /nfs/dbraw/zinc/51/83/46/1064518346.db2.gz HRYWIFRRDSDWSX-QIIPPGSGSA-N 0 0 451.352 4.631 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109287 1064518871 /nfs/dbraw/zinc/51/88/71/1064518871.db2.gz RKMYJIRVTSSPTB-KMRXNPHXSA-N 0 0 459.634 4.962 20 0 JJADRN O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cn(-c2ccccc2Br)nn1 ZINC001359833809 1064519679 /nfs/dbraw/zinc/51/96/79/1064519679.db2.gz NHSBVSCTARFEOJ-UHFFFAOYSA-N 0 0 459.687 4.695 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110655 1064519912 /nfs/dbraw/zinc/51/99/12/1064519912.db2.gz YGXKLQIMEAJTIW-UQBPGWFLSA-N 0 0 457.014 4.731 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435110672 1064519987 /nfs/dbraw/zinc/51/99/87/1064519987.db2.gz BKUMWXAHTZTPNA-CEXJFXJFSA-N 0 0 458.961 4.850 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435110686 1064520058 /nfs/dbraw/zinc/52/00/58/1064520058.db2.gz BKUMWXAHTZTPNA-TXBYWVTISA-N 0 0 458.961 4.850 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110646 1064520074 /nfs/dbraw/zinc/52/00/74/1064520074.db2.gz YGXKLQIMEAJTIW-DFBJGRDBSA-N 0 0 457.014 4.731 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)cc1C ZINC001359833932 1064520185 /nfs/dbraw/zinc/52/01/85/1064520185.db2.gz PTHPWUIQWVLTGZ-LJQANCHMSA-N 0 0 451.514 4.542 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359834358 1064520245 /nfs/dbraw/zinc/52/02/45/1064520245.db2.gz BKIVPLUXNNGTRS-WOJBJXKFSA-N 0 0 494.453 4.691 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359834708 1064520851 /nfs/dbraw/zinc/52/08/51/1064520851.db2.gz JVYIDSJVFNYRGV-ACBHZAAOSA-N 0 0 471.612 4.976 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112232 1064520966 /nfs/dbraw/zinc/52/09/66/1064520966.db2.gz UXTBPHHBCGQHFN-IDISGSTGSA-N 0 0 450.623 4.524 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112226 1064521100 /nfs/dbraw/zinc/52/11/00/1064521100.db2.gz UWBLXPOWMOVWTH-HOYKHHGWSA-N 0 0 457.014 4.974 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC1CC(c2ccccc2)C1 ZINC001359834804 1064521153 /nfs/dbraw/zinc/52/11/53/1064521153.db2.gz MASLDRDKYMEZQJ-IQWMQGJTSA-N 0 0 451.659 4.802 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1 ZINC001435113254 1064521401 /nfs/dbraw/zinc/52/14/01/1064521401.db2.gz RBXQSGFDXGOWKE-KRWDZBQOSA-N 0 0 451.552 4.548 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)CC2=O)cc1 ZINC001435115743 1064522914 /nfs/dbraw/zinc/52/29/14/1064522914.db2.gz WQXSILFYFZLFAO-KRWDZBQOSA-N 0 0 450.926 4.866 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001435115451 1064523082 /nfs/dbraw/zinc/52/30/82/1064523082.db2.gz FBDYWVFIIIBPMV-UHFFFAOYSA-N 0 0 457.387 4.929 20 0 JJADRN COc1cccc(CNC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)c1OC1CCCC1 ZINC001435115228 1064523193 /nfs/dbraw/zinc/52/31/93/1064523193.db2.gz DAAHCTYJCOBVLR-UHFFFAOYSA-N 0 0 455.551 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359835728 1064523049 /nfs/dbraw/zinc/52/30/49/1064523049.db2.gz ZTLKSICFHSWLTD-QGZVFWFLSA-N 0 0 480.556 4.639 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359835727 1064523145 /nfs/dbraw/zinc/52/31/45/1064523145.db2.gz ZTLKSICFHSWLTD-KRWDZBQOSA-N 0 0 480.556 4.639 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359836053 1064523195 /nfs/dbraw/zinc/52/31/95/1064523195.db2.gz CWQZGAWDMBPLJC-QFIPXVFZSA-N 0 0 454.663 4.592 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CCCC2)cc1 ZINC001435115705 1064523237 /nfs/dbraw/zinc/52/32/37/1064523237.db2.gz FFOWTMVDOAAJJP-UHFFFAOYSA-N 0 0 454.514 4.740 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359836629 1064523553 /nfs/dbraw/zinc/52/35/53/1064523553.db2.gz MLMZOILKRUHVDO-MRXNPFEDSA-N 0 0 482.938 4.978 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359836628 1064523584 /nfs/dbraw/zinc/52/35/84/1064523584.db2.gz MLMZOILKRUHVDO-INIZCTEOSA-N 0 0 482.938 4.978 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001359837101 1064523669 /nfs/dbraw/zinc/52/36/69/1064523669.db2.gz YKKUKJMMNBHMRW-IEBWSBKVSA-N 0 0 471.593 4.533 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccc(F)cc3Br)s2)cc1 ZINC001435116471 1064524097 /nfs/dbraw/zinc/52/40/97/1064524097.db2.gz PXBWFBIBPUTJPJ-LBPRGKRZSA-N 0 0 450.333 4.745 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1ccnc(OCC2CC2)c1 ZINC001359837642 1064524135 /nfs/dbraw/zinc/52/41/35/1064524135.db2.gz JWMHIPWXCFRAGW-UHFFFAOYSA-N 0 0 459.377 4.839 20 0 JJADRN Cc1cccc(CC(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)c1Br ZINC001359837744 1064524262 /nfs/dbraw/zinc/52/42/62/1064524262.db2.gz MBQZNSHKHKIISP-AOMKIAJQSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC001435116213 1064524202 /nfs/dbraw/zinc/52/42/02/1064524202.db2.gz MOPLIPFFQIYMMS-FQEVSTJZSA-N 0 0 453.951 4.990 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC001359838183 1064524658 /nfs/dbraw/zinc/52/46/58/1064524658.db2.gz VQIKTZLRKSNOFF-QKKBWIMNSA-N 0 0 457.384 4.721 20 0 JJADRN Cc1sc2ncn(CCC(=O)N(Cc3cc(F)ccc3F)c3ccccc3)c(=O)c2c1C ZINC001435117049 1064524732 /nfs/dbraw/zinc/52/47/32/1064524732.db2.gz DILGMNJCHLEXFK-UHFFFAOYSA-N 0 0 453.514 4.977 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001359837869 1064524692 /nfs/dbraw/zinc/52/46/92/1064524692.db2.gz OZRIHKITICOFBV-AOMKIAJQSA-N 0 0 453.421 4.890 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359838610 1064525295 /nfs/dbraw/zinc/52/52/95/1064525295.db2.gz FIQNUSWBDPKPKA-IFMALSPDSA-N 0 0 455.647 4.849 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)cc2)no1 ZINC001435120042 1064526475 /nfs/dbraw/zinc/52/64/75/1064526475.db2.gz VBCWMRISFOCQRI-UHFFFAOYSA-N 0 0 459.506 4.702 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001359840318 1064526903 /nfs/dbraw/zinc/52/69/03/1064526903.db2.gz AGUVUQMFAPBJEC-UHFFFAOYSA-N 0 0 489.611 4.745 20 0 JJADRN COC[C@H](NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)c1cccc(C(F)(F)F)c1 ZINC001435120446 1064527048 /nfs/dbraw/zinc/52/70/48/1064527048.db2.gz QHPOIKZTAWTSHV-INDMIFKZSA-N 0 0 454.286 4.858 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC001435121243 1064527313 /nfs/dbraw/zinc/52/73/13/1064527313.db2.gz RYLKPUAPTQUXNX-QFIPXVFZSA-N 0 0 453.558 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCCOC1CCCCC1 ZINC001359840840 1064527425 /nfs/dbraw/zinc/52/74/25/1064527425.db2.gz SICMFPGAORYVHT-UHFFFAOYSA-N 0 0 485.648 4.708 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359841482 1064528075 /nfs/dbraw/zinc/52/80/75/1064528075.db2.gz PQVBEWNEVFGEEM-UHFFFAOYSA-N 0 0 463.470 4.618 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCCn1ccc2ccccc21 ZINC001359841229 1064528184 /nfs/dbraw/zinc/52/81/84/1064528184.db2.gz HGVYLJNYHSVNIX-UHFFFAOYSA-N 0 0 462.564 4.596 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2nc(F)ccc2Br)cc1 ZINC001435122867 1064528458 /nfs/dbraw/zinc/52/84/58/1064528458.db2.gz DCFGAVPOQVYTSW-MSOLQXFVSA-N 0 0 451.336 4.892 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1Cl)c1ccncc1 ZINC001435122387 1064528575 /nfs/dbraw/zinc/52/85/75/1064528575.db2.gz JQJVLMXOZSVXHE-IBGZPJMESA-N 0 0 455.301 4.772 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(OCCc3ccccc3)CC2)CC[C@@H]1c1ccc(C)o1 ZINC001435122917 1064528636 /nfs/dbraw/zinc/52/86/36/1064528636.db2.gz DMTQDWJWDDIMCU-DHIUTWEWSA-N 0 0 454.567 4.500 20 0 JJADRN CN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 ZINC001435122401 1064528751 /nfs/dbraw/zinc/52/87/51/1064528751.db2.gz JVFHHLGPNFQNHE-UHFFFAOYSA-N 0 0 457.317 4.595 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1sccc1Br ZINC001359842977 1064529724 /nfs/dbraw/zinc/52/97/24/1064529724.db2.gz IBOCUWUHNZUHBX-OAHLLOKOSA-N 0 0 498.491 4.842 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001435124022 1064529784 /nfs/dbraw/zinc/52/97/84/1064529784.db2.gz AANJZQQFHRDQOL-MOPGFXCFSA-N 0 0 456.361 4.692 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cnn3c2nc(C)cc3C(F)F)cc1 ZINC001435123403 1064529837 /nfs/dbraw/zinc/52/98/37/1064529837.db2.gz JMHXCEAEIYYZKX-PZJWPPBQSA-N 0 0 458.509 4.884 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cn(-c2ccccc2Br)nn1 ZINC001435124607 1064530691 /nfs/dbraw/zinc/53/06/91/1064530691.db2.gz FVUUEIPLTRWGKL-KRWDZBQOSA-N 0 0 453.365 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359844428 1064530856 /nfs/dbraw/zinc/53/08/56/1064530856.db2.gz WJKSEPWADKXSJZ-LJQANCHMSA-N 0 0 476.090 4.624 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001359844215 1064530902 /nfs/dbraw/zinc/53/09/02/1064530902.db2.gz NYUINDJOJMJLOW-INIZCTEOSA-N 0 0 483.966 4.667 20 0 JJADRN CCc1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc(Cl)n1 ZINC001435124776 1064530879 /nfs/dbraw/zinc/53/08/79/1064530879.db2.gz BLZSNFXSCKZLNR-UHFFFAOYSA-N 0 0 450.894 4.802 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)nc2)c1 ZINC001359845442 1064531385 /nfs/dbraw/zinc/53/13/85/1064531385.db2.gz OGHZGTGEMQCYFD-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN CSCc1ccc(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)cc1 ZINC001359845489 1064531418 /nfs/dbraw/zinc/53/14/18/1064531418.db2.gz PJRNIHZYGCPDDQ-UHFFFAOYSA-N 0 0 453.029 4.823 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)ccc1Cl ZINC001359845318 1064531480 /nfs/dbraw/zinc/53/14/80/1064531480.db2.gz MBQLOIULNJZAGD-UHFFFAOYSA-N 0 0 453.341 4.585 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001435125906 1064531748 /nfs/dbraw/zinc/53/17/48/1064531748.db2.gz KWXWRVITBTUHDO-UWJYYQICSA-N 0 0 451.535 4.863 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCSc1ccccc1 ZINC001359846527 1064532346 /nfs/dbraw/zinc/53/23/46/1064532346.db2.gz BPBSTHNSWSZJMM-LJQANCHMSA-N 0 0 459.660 4.715 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)cc1 ZINC001435126193 1064532520 /nfs/dbraw/zinc/53/25/20/1064532520.db2.gz WWUKXDZUNXYUPO-UHFFFAOYSA-N 0 0 454.527 4.764 20 0 JJADRN Cc1ccc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC001435126305 1064532556 /nfs/dbraw/zinc/53/25/56/1064532556.db2.gz MXHAXANWIAUDSC-AREMUKBSSA-N 0 0 451.567 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCOC1CCCCC1 ZINC001359846909 1064532884 /nfs/dbraw/zinc/53/28/84/1064532884.db2.gz KLJGKGBOTBVGIZ-FQEVSTJZSA-N 0 0 463.667 4.662 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359846929 1064532941 /nfs/dbraw/zinc/53/29/41/1064532941.db2.gz LEDMWZMNQWTNIB-URVUXULASA-N 0 0 477.694 4.764 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc2c(c1)CCCC2=O ZINC001435126950 1064533010 /nfs/dbraw/zinc/53/30/10/1064533010.db2.gz UGSFGPOVIKYKRH-UHFFFAOYSA-N 0 0 455.482 4.710 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359847383 1064533389 /nfs/dbraw/zinc/53/33/89/1064533389.db2.gz VBXFGEQDKITAAQ-UHFFFAOYSA-N 0 0 482.654 4.706 20 0 JJADRN O=C(NCCCc1ccc(Br)cc1F)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001435128074 1064534096 /nfs/dbraw/zinc/53/40/96/1064534096.db2.gz YVZWMRULMZIDKA-UHFFFAOYSA-N 0 0 454.246 4.938 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1OC1CCCC1 ZINC001359847429 1064534056 /nfs/dbraw/zinc/53/40/56/1064534056.db2.gz WCGSLXVJBQNEGF-UHFFFAOYSA-N 0 0 483.657 4.903 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359848864 1064534680 /nfs/dbraw/zinc/53/46/80/1064534680.db2.gz CYDZMOIFAYLADJ-ZWKOTPCHSA-N 0 0 452.619 4.642 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCSC(C)C ZINC001359848963 1064534988 /nfs/dbraw/zinc/53/49/88/1064534988.db2.gz FHFIOFHOXNPYLG-GOSISDBHSA-N 0 0 451.631 4.780 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4ccccc4)cc3C)CC2=O)cc1 ZINC001435131181 1064536203 /nfs/dbraw/zinc/53/62/03/1064536203.db2.gz PCIZNVTVXJUTMK-NRFANRHFSA-N 0 0 457.530 4.524 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4ccccc4)cc3C)CC2=O)cc1 ZINC001435131192 1064536276 /nfs/dbraw/zinc/53/62/76/1064536276.db2.gz PCIZNVTVXJUTMK-OAQYLSRUSA-N 0 0 457.530 4.524 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001435131787 1064536639 /nfs/dbraw/zinc/53/66/39/1064536639.db2.gz UQUVJOIECMRMEP-UHFFFAOYSA-N 0 0 453.424 4.821 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001359850776 1064537050 /nfs/dbraw/zinc/53/70/50/1064537050.db2.gz WORZSVIZCJABJM-YVWKXTFCSA-N 0 0 453.528 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359850787 1064537283 /nfs/dbraw/zinc/53/72/83/1064537283.db2.gz WSETUGILJPWFRM-IBGZPJMESA-N 0 0 479.591 4.919 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)no1 ZINC001435132682 1064537272 /nfs/dbraw/zinc/53/72/72/1064537272.db2.gz GEPRMZWSYAWQMD-UHFFFAOYSA-N 0 0 453.564 4.876 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2cccc(F)c2)CCCCC1 ZINC001359851064 1064537641 /nfs/dbraw/zinc/53/76/41/1064537641.db2.gz BNGMHBJQHURBEB-UHFFFAOYSA-N 0 0 458.599 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359850793 1064537659 /nfs/dbraw/zinc/53/76/59/1064537659.db2.gz WYWRYHZEMDGISE-HNNXBMFYSA-N 0 0 463.470 4.617 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1SCCc2ccccc21 ZINC001359850797 1064537722 /nfs/dbraw/zinc/53/77/22/1064537722.db2.gz XDSMPPZWSFMLEI-DENIHFKCSA-N 0 0 485.698 4.953 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)NCCC(=O)Nc2ccc(Br)cc2C)ccc1Cl ZINC001359851065 1064537942 /nfs/dbraw/zinc/53/79/42/1064537942.db2.gz BNHJBBNJOJXNBT-AWEZNQCLSA-N 0 0 453.764 4.632 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cc(-c3ccncc3)ccc2C)C1 ZINC001359851093 1064538483 /nfs/dbraw/zinc/53/84/83/1064538483.db2.gz COHSAKOUOFAUPL-WNCULLNHSA-N 0 0 459.546 4.812 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC001359851980 1064538870 /nfs/dbraw/zinc/53/88/70/1064538870.db2.gz PIIPTFOTCWUQBJ-UHFFFAOYSA-N 0 0 451.489 4.719 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1 ZINC001435135118 1064538889 /nfs/dbraw/zinc/53/88/89/1064538889.db2.gz DXUOXDDGHXEAOZ-JOCHJYFZSA-N 0 0 450.966 4.736 20 0 JJADRN CCCOc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c(OC)c1 ZINC001435136290 1064539252 /nfs/dbraw/zinc/53/92/52/1064539252.db2.gz XXOGZBIIEUIQTJ-UHFFFAOYSA-N 0 0 451.544 4.963 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359852473 1064539407 /nfs/dbraw/zinc/53/94/07/1064539407.db2.gz OEFXZEIUHZSXIT-UHFFFAOYSA-N 0 0 488.105 4.848 20 0 JJADRN Cc1ccc(CN(C(=O)c2cn(-c3ccccc3Br)nn2)c2ccc(F)cc2)o1 ZINC001435135884 1064539413 /nfs/dbraw/zinc/53/94/13/1064539413.db2.gz GWYGCAASSXGKSJ-UHFFFAOYSA-N 0 0 455.287 4.917 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2cccc3cccc(Br)c32)cc1N1CCCCC1 ZINC001435137621 1064539697 /nfs/dbraw/zinc/53/96/97/1064539697.db2.gz AFWBBHAYUBKEKL-UHFFFAOYSA-N 0 0 452.352 4.944 20 0 JJADRN Cc1c(I)cccc1C(=O)NCCCc1cccc(Br)c1 ZINC001435137788 1064539714 /nfs/dbraw/zinc/53/97/14/1064539714.db2.gz UGCGHBPCNCKTSR-UHFFFAOYSA-N 0 0 458.137 4.725 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccccc2OCc2ccccc2Br)cc1 ZINC001435137316 1064539919 /nfs/dbraw/zinc/53/99/19/1064539919.db2.gz KXULUINNBUFZFD-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001359852709 1064539985 /nfs/dbraw/zinc/53/99/85/1064539985.db2.gz RZIUBOQSRYQPBI-HXUWFJFHSA-N 0 0 488.652 4.636 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1Cc1ccc(Cl)cc1F ZINC001359852871 1064540710 /nfs/dbraw/zinc/54/07/10/1064540710.db2.gz YCWWAOZLIAUATF-UHFFFAOYSA-N 0 0 463.388 4.692 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001435139811 1064540759 /nfs/dbraw/zinc/54/07/59/1064540759.db2.gz PYNKRDDCWGSJEX-UPVQGACJSA-N 0 0 457.592 4.526 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CC(C)(C)c1ccccn1 ZINC001359853622 1064540865 /nfs/dbraw/zinc/54/08/65/1064540865.db2.gz LJBUTGCREHOCKJ-UHFFFAOYSA-N 0 0 488.467 4.878 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001359853915 1064541454 /nfs/dbraw/zinc/54/14/54/1064541454.db2.gz PGPVNWILGHXGKZ-DOTOQJQBSA-N 0 0 455.409 4.643 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435140726 1064541333 /nfs/dbraw/zinc/54/13/33/1064541333.db2.gz GCLMLOUDNCHSGE-CJFMBICVSA-N 0 0 457.574 4.641 20 0 JJADRN Cc1ccc2cccc(NC(=O)c3cnn(-c4ccccc4)c3I)c2n1 ZINC001359854630 1064541942 /nfs/dbraw/zinc/54/19/42/1064541942.db2.gz PCANILGSUNHHPO-UHFFFAOYSA-N 0 0 454.271 4.586 20 0 JJADRN Cc1cc(Br)c(C(=O)OCc2noc(-c3ccccc3)n2)cc1Br ZINC001359854476 1064541958 /nfs/dbraw/zinc/54/19/58/1064541958.db2.gz YWXSTCKODMKTFX-UHFFFAOYSA-N 0 0 452.102 4.927 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c(C)n1 ZINC001435142110 1064542476 /nfs/dbraw/zinc/54/24/76/1064542476.db2.gz FKCHYRYOJOBJCX-SFHVURJKSA-N 0 0 458.647 4.932 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC001435142940 1064543587 /nfs/dbraw/zinc/54/35/87/1064543587.db2.gz LDTRYQWFYTZXHX-XMMPIXPASA-N 0 0 452.549 4.736 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3cncc(N4CCCC4=O)c3)cc2C)c1 ZINC001435143649 1064544185 /nfs/dbraw/zinc/54/41/85/1064544185.db2.gz CCERNZDODPFCNC-UHFFFAOYSA-N 0 0 457.574 4.985 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)c1ccccc1F ZINC001359857760 1064544601 /nfs/dbraw/zinc/54/46/01/1064544601.db2.gz GFDMLEVXCOVQFV-UHFFFAOYSA-N 0 0 473.534 4.616 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)cc1 ZINC001359857858 1064544727 /nfs/dbraw/zinc/54/47/27/1064544727.db2.gz FRZHRIWEWCUWFF-XCZPVHLTSA-N 0 0 459.590 4.858 20 0 JJADRN CCN(C(=O)CCc1c(C)nc(SC)[nH]c1=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001359857867 1064544857 /nfs/dbraw/zinc/54/48/57/1064544857.db2.gz FWXSUPVAACTBTO-NRFANRHFSA-N 0 0 456.999 4.832 20 0 JJADRN CCN(C(=O)CCc1c(C)nc(SC)[nH]c1=O)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001359857868 1064544906 /nfs/dbraw/zinc/54/49/06/1064544906.db2.gz FWXSUPVAACTBTO-OAQYLSRUSA-N 0 0 456.999 4.832 20 0 JJADRN CCN(C(=O)Cc1ccccc1O[C@@H]1CCOC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858030 1064545261 /nfs/dbraw/zinc/54/52/61/1064545261.db2.gz HHBGJJCJTQUHID-QFQXNSOFSA-N 0 0 452.501 4.708 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001359858127 1064545347 /nfs/dbraw/zinc/54/53/47/1064545347.db2.gz KKMALFHGKPXYEO-SJORKVTESA-N 0 0 473.971 4.670 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)c1 ZINC001435144833 1064545374 /nfs/dbraw/zinc/54/53/74/1064545374.db2.gz MMDNZLAUPXWSOX-UHFFFAOYSA-N 0 0 458.527 4.750 20 0 JJADRN COc1ccc(COCC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1 ZINC001435144889 1064545445 /nfs/dbraw/zinc/54/54/45/1064545445.db2.gz MSMUBMKBURQQIP-UHFFFAOYSA-N 0 0 458.514 4.869 20 0 JJADRN CCN(C(=O)CCN1C(=O)COc2ccccc21)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858040 1064545537 /nfs/dbraw/zinc/54/55/37/1064545537.db2.gz HIVDXWMBDNLKKH-NDEPHWFRSA-N 0 0 457.574 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001359858250 1064545796 /nfs/dbraw/zinc/54/57/96/1064545796.db2.gz LYVZLSHIHLMZGF-KJXAQDMKSA-N 0 0 479.591 4.717 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC001359858789 1064545815 /nfs/dbraw/zinc/54/58/15/1064545815.db2.gz RANLNXNSOALWAL-MUUNZHRXSA-N 0 0 457.574 4.788 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@@H](C)CCC4CCCCC4)cnc32)c(OC)c1 ZINC001435145852 1064546271 /nfs/dbraw/zinc/54/62/71/1064546271.db2.gz NDIAJNPOQFCJQN-SFHVURJKSA-N 0 0 450.583 4.976 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H](c1ccccc1)C1CC1 ZINC001359858937 1064546419 /nfs/dbraw/zinc/54/64/19/1064546419.db2.gz XREZOHMMMYQZPB-HXUWFJFHSA-N 0 0 467.555 4.693 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001359859057 1064546662 /nfs/dbraw/zinc/54/66/62/1064546662.db2.gz UXSZLHJUQHYCAL-VWLOTQADSA-N 0 0 454.567 4.585 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)c1cc(F)c(F)cc1F ZINC001359859684 1064547854 /nfs/dbraw/zinc/54/78/54/1064547854.db2.gz FYTIFIFSEFYZHS-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1nc2cc(C(=O)Nc3ccccc3SCCC(N)=O)ccc2n1Cc1ccsc1 ZINC001359859728 1064548045 /nfs/dbraw/zinc/54/80/45/1064548045.db2.gz GEKGKUNAASKSIA-UHFFFAOYSA-N 0 0 450.589 4.674 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359859587 1064548057 /nfs/dbraw/zinc/54/80/57/1064548057.db2.gz AHHHKIHIOJDCQO-UHFFFAOYSA-N 0 0 494.496 4.674 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)c2)cc1 ZINC001435148318 1064548507 /nfs/dbraw/zinc/54/85/07/1064548507.db2.gz IEWWFLWFBLRDDW-OAQYLSRUSA-N 0 0 454.496 4.842 20 0 JJADRN CN(C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 ZINC001435148177 1064548624 /nfs/dbraw/zinc/54/86/24/1064548624.db2.gz HJHCKAVWKHDHMA-IBGZPJMESA-N 0 0 455.484 4.980 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)c2)cc1 ZINC001435148306 1064548672 /nfs/dbraw/zinc/54/86/72/1064548672.db2.gz IEWWFLWFBLRDDW-NRFANRHFSA-N 0 0 454.496 4.842 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC001435148532 1064548807 /nfs/dbraw/zinc/54/88/07/1064548807.db2.gz NSQOCIISOBAJLH-UHFFFAOYSA-N 0 0 450.445 4.651 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001435149250 1064549370 /nfs/dbraw/zinc/54/93/70/1064549370.db2.gz NDQBAOGLQGGTBS-QAPCUYQASA-N 0 0 451.792 4.997 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cnc(-c2ccccn2)nc1 ZINC001435149568 1064549794 /nfs/dbraw/zinc/54/97/94/1064549794.db2.gz TYVHLZPKGKRSEN-UHFFFAOYSA-N 0 0 451.408 4.675 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435149744 1064549978 /nfs/dbraw/zinc/54/99/78/1064549978.db2.gz VHDROZBYIMOOMO-OAQYLSRUSA-N 0 0 452.457 4.641 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC001359860979 1064550154 /nfs/dbraw/zinc/55/01/54/1064550154.db2.gz VGZLKCALIBRNJN-UHFFFAOYSA-N 0 0 452.558 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc3c(c2)CCOC3)c2ccccc2F)CC1 ZINC001435150064 1064550589 /nfs/dbraw/zinc/55/05/89/1064550589.db2.gz WXQIULDBXAAYBN-UHFFFAOYSA-N 0 0 454.542 4.945 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001435150678 1064551043 /nfs/dbraw/zinc/55/10/43/1064551043.db2.gz ZSSGQLUQONDASU-NSHDSACASA-N 0 0 451.919 4.885 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)c1ccc(Cn2ccccc2=O)o1 ZINC001435155200 1064552575 /nfs/dbraw/zinc/55/25/75/1064552575.db2.gz ULCSWCPKVCFEQN-HSZRJFAPSA-N 0 0 454.860 4.941 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@@H](c3ccccc3Cl)c3cc(F)ccc3F)nn2)cc1 ZINC001435154283 1064552731 /nfs/dbraw/zinc/55/27/31/1064552731.db2.gz OGCLMXLNKYVJIY-QFIPXVFZSA-N 0 0 454.864 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[C@H]1CCCCO1 ZINC001359861587 1064552880 /nfs/dbraw/zinc/55/28/80/1064552880.db2.gz ZVXWLVDSSBVXHN-HSZRJFAPSA-N 0 0 460.066 4.802 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1ccc(F)c(Cl)c1 ZINC001359862302 1064553008 /nfs/dbraw/zinc/55/30/08/1064553008.db2.gz HDOURRQGHFHZJG-UHFFFAOYSA-N 0 0 456.875 4.553 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1 ZINC001435155219 1064553283 /nfs/dbraw/zinc/55/32/83/1064553283.db2.gz MUZWEQYDQZUUOJ-PRPYNDMISA-N 0 0 456.999 4.843 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC001435155402 1064553298 /nfs/dbraw/zinc/55/32/98/1064553298.db2.gz NWHFXACACMQSBA-YMTYPPQLSA-N 0 0 452.979 4.635 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1Cl ZINC001359863656 1064553507 /nfs/dbraw/zinc/55/35/07/1064553507.db2.gz QONOESCPLHTJDJ-UHFFFAOYSA-N 0 0 453.347 4.635 20 0 JJADRN COc1cc(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc(OC)c1OC ZINC001435156389 1064553628 /nfs/dbraw/zinc/55/36/28/1064553628.db2.gz QURAIBKWGLVAOS-NSHDSACASA-N 0 0 458.736 4.559 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1Cl ZINC001435156767 1064553755 /nfs/dbraw/zinc/55/37/55/1064553755.db2.gz FYOMHIZBSWCBPR-CQSZACIVSA-N 0 0 450.428 4.702 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359864559 1064554051 /nfs/dbraw/zinc/55/40/51/1064554051.db2.gz OSFCHWIUJTXDCK-GOSISDBHSA-N 0 0 468.568 4.644 20 0 JJADRN Cc1cccc(N2N=C(C(=O)Nc3cccc(C[S@](=O)Cc4ccccc4)c3)CCC2=O)c1 ZINC001435157457 1064554097 /nfs/dbraw/zinc/55/40/97/1064554097.db2.gz MNFIDJFEDDQRIZ-MGBGTMOVSA-N 0 0 459.571 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359864997 1064554718 /nfs/dbraw/zinc/55/47/18/1064554718.db2.gz UOGXHCMCDQOWJS-QHCPKHFHSA-N 0 0 453.631 4.515 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC001435158059 1064554814 /nfs/dbraw/zinc/55/48/14/1064554814.db2.gz PHZCCKYMAPSKDF-YTTGMZPUSA-N 0 0 456.514 4.824 20 0 JJADRN O=C(c1ccc(F)c(I)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001435159239 1064555441 /nfs/dbraw/zinc/55/54/41/1064555441.db2.gz VPZZCDMEOHTGMX-UHFFFAOYSA-N 0 0 455.164 4.774 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001435160006 1064555844 /nfs/dbraw/zinc/55/58/44/1064555844.db2.gz FWLSXMCGHXTSAI-NDEPHWFRSA-N 0 0 456.029 4.580 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1CCOCC1)c1ccc(Cl)c(I)c1 ZINC001435159563 1064555895 /nfs/dbraw/zinc/55/58/95/1064555895.db2.gz CUMIFZOITBCIAB-GOSISDBHSA-N 0 0 455.723 4.842 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)C(C)(C)C ZINC001435160979 1064556728 /nfs/dbraw/zinc/55/67/28/1064556728.db2.gz AKTIIDPSDSXBAE-CYBMUJFWSA-N 0 0 454.390 4.910 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1NC(=O)C1CCCCC1 ZINC001435160729 1064556822 /nfs/dbraw/zinc/55/68/22/1064556822.db2.gz IFWJCPBBAJWGGS-RBUKOAKNSA-N 0 0 459.587 4.846 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001359866222 1064556861 /nfs/dbraw/zinc/55/68/61/1064556861.db2.gz ODANXCKPDCWTSS-NTKDMRAZSA-N 0 0 492.592 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359866113 1064557135 /nfs/dbraw/zinc/55/71/35/1064557135.db2.gz NNNIDZGPEIVDFY-KKSFZXQISA-N 0 0 467.060 4.739 20 0 JJADRN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 ZINC001435161910 1064557242 /nfs/dbraw/zinc/55/72/42/1064557242.db2.gz HZWYRXPSSYIVAJ-UHFFFAOYSA-N 0 0 450.438 4.690 20 0 JJADRN C[C@@H]1[C@H](C)SCCN1C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001435161443 1064557269 /nfs/dbraw/zinc/55/72/69/1064557269.db2.gz JREHFVXXGMDDNB-BDAKNGLRSA-N 0 0 454.852 4.843 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H]1c1ccccc1 ZINC001435161494 1064557376 /nfs/dbraw/zinc/55/73/76/1064557376.db2.gz BWOLDOJMTDQOQV-HZUJVAHNSA-N 0 0 459.409 4.507 20 0 JJADRN Cc1cnn(-c2c(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)c(C)nn2C)c1 ZINC001435162154 1064557810 /nfs/dbraw/zinc/55/78/10/1064557810.db2.gz JWNGHBRVRKXKKH-UHFFFAOYSA-N 0 0 456.428 4.681 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)/C=C\c2ccc(I)o2)c1 ZINC001435162258 1064558387 /nfs/dbraw/zinc/55/83/87/1064558387.db2.gz QPUWRCZQUTUSLL-NECUJFQYSA-N 0 0 457.333 4.583 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 ZINC001435162301 1064558473 /nfs/dbraw/zinc/55/84/73/1064558473.db2.gz RBEQGIDMYREZSN-HKBQPEDESA-N 0 0 455.605 4.624 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359866661 1064558697 /nfs/dbraw/zinc/55/86/97/1064558697.db2.gz WQCYRJZXWIVLGW-SKCUWOTOSA-N 0 0 497.684 4.876 20 0 JJADRN C/C(=C\C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC001359867010 1064559307 /nfs/dbraw/zinc/55/93/07/1064559307.db2.gz HLACTSBWKMAVLR-WYMLVPIESA-N 0 0 454.851 4.886 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)c2)cn1 ZINC001435163402 1064559406 /nfs/dbraw/zinc/55/94/06/1064559406.db2.gz TUPQQILSLOYGTA-UHFFFAOYSA-N 0 0 458.316 4.760 20 0 JJADRN O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001435163296 1064559601 /nfs/dbraw/zinc/55/96/01/1064559601.db2.gz SJNAVGRDHJBQIA-UHFFFAOYSA-N 0 0 451.323 4.510 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359868343 1064560101 /nfs/dbraw/zinc/56/01/01/1064560101.db2.gz JUPPUSVGJWVTCT-FQEVSTJZSA-N 0 0 464.488 4.637 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)C1(c2ccc(I)cc2)CC1 ZINC001435164623 1064560546 /nfs/dbraw/zinc/56/05/46/1064560546.db2.gz ACOBKZLDKQNIPZ-UHFFFAOYSA-N 0 0 457.271 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359868521 1064560703 /nfs/dbraw/zinc/56/07/03/1064560703.db2.gz LTHPJELNRWGVNY-OUOWLKGYSA-N 0 0 462.585 4.784 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359868522 1064560741 /nfs/dbraw/zinc/56/07/41/1064560741.db2.gz LTHPJELNRWGVNY-RVSNTGDXSA-N 0 0 462.585 4.784 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001435165284 1064561147 /nfs/dbraw/zinc/56/11/47/1064561147.db2.gz YAFUEVJYEPAECZ-GJZGRUSLSA-N 0 0 453.674 4.885 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc(-c3ccccc3)nc2)c2ccc(OC)cc2OC)cc1 ZINC001435165677 1064561611 /nfs/dbraw/zinc/56/16/11/1064561611.db2.gz OFCZODLFTOZDEN-VWLOTQADSA-N 0 0 455.514 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359869245 1064561753 /nfs/dbraw/zinc/56/17/53/1064561753.db2.gz VBGIELKHUIOWNV-FQEVSTJZSA-N 0 0 496.027 4.714 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001435166751 1064561978 /nfs/dbraw/zinc/56/19/78/1064561978.db2.gz KWUALZXMZNRSGY-NRFANRHFSA-N 0 0 453.340 4.807 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC001435166442 1064562030 /nfs/dbraw/zinc/56/20/30/1064562030.db2.gz MQBAJNYLYZJAJM-UHFFFAOYSA-N 0 0 452.370 4.816 20 0 JJADRN CCCn1c(C)c(C(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)c2cc(OC)ccc21 ZINC001435166163 1064562215 /nfs/dbraw/zinc/56/22/15/1064562215.db2.gz HTILFZZCWCRGQX-UHFFFAOYSA-N 0 0 458.505 4.852 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(COC(C)(C)C)on2)c2ccc(OC)cc2OC)cc1 ZINC001435166491 1064562245 /nfs/dbraw/zinc/56/22/45/1064562245.db2.gz YDEBODYHBIHYBP-HSZRJFAPSA-N 0 0 454.523 4.535 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(CCCC3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359869756 1064562261 /nfs/dbraw/zinc/56/22/61/1064562261.db2.gz GIDHXSCAZWGXIY-UHFFFAOYSA-N 0 0 466.552 4.542 20 0 JJADRN CCN(C(=O)c1cn(-c2ccccc2Cl)nn1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359871027 1064562691 /nfs/dbraw/zinc/56/26/91/1064562691.db2.gz OUOBNTULSPMVOP-QFIPXVFZSA-N 0 0 453.880 4.846 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)O[C@H](C)C2 ZINC001435167555 1064562955 /nfs/dbraw/zinc/56/29/55/1064562955.db2.gz FNWZPPHBILGYJZ-QGCDCVKKSA-N 0 0 452.551 4.786 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)[C@H](OC(C)C)c4ccccc4)cc32)c1 ZINC001359872143 1064563316 /nfs/dbraw/zinc/56/33/16/1064563316.db2.gz DUZIOEGKNUYNIS-HHHXNRCGSA-N 0 0 458.558 4.932 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359871414 1064563392 /nfs/dbraw/zinc/56/33/92/1064563392.db2.gz XZIVJEHWTCKVGB-GGAORHGYSA-N 0 0 485.673 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359871415 1064563436 /nfs/dbraw/zinc/56/34/36/1064563436.db2.gz XZIVJEHWTCKVGB-GMAHTHKFSA-N 0 0 485.673 4.570 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC001435167888 1064563716 /nfs/dbraw/zinc/56/37/16/1064563716.db2.gz IQXLFPHHIDFDHJ-GOSISDBHSA-N 0 0 450.922 4.810 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)C2=O)c1 ZINC001435168030 1064563732 /nfs/dbraw/zinc/56/37/32/1064563732.db2.gz IQGNUVUIHHAABM-CVDCTZTESA-N 0 0 457.530 4.979 20 0 JJADRN CC(C)Cc1nnc(N2CCSC3(CCOCC3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359872648 1064563872 /nfs/dbraw/zinc/56/38/72/1064563872.db2.gz FBMUSDAXYCCNLW-UHFFFAOYSA-N 0 0 463.717 4.576 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)cc2)n1 ZINC001435168382 1064564111 /nfs/dbraw/zinc/56/41/11/1064564111.db2.gz DHRPWFITNVWMCC-UHFFFAOYSA-N 0 0 455.877 4.555 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC001435168547 1064564229 /nfs/dbraw/zinc/56/42/29/1064564229.db2.gz CIAXYMVQRGDYOW-UHFFFAOYSA-N 0 0 453.951 4.858 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n(-c2nc(C)cc(C)n2)n1 ZINC001359873611 1064564366 /nfs/dbraw/zinc/56/43/66/1064564366.db2.gz XYLKNXWHTPAFQQ-HNNXBMFYSA-N 0 0 452.971 4.908 20 0 JJADRN O=C(NC1(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1)OCc1ccccc1 ZINC001435169132 1064564550 /nfs/dbraw/zinc/56/45/50/1064564550.db2.gz DZCURFRSVORUDA-YTTGMZPUSA-N 0 0 454.592 4.666 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)cc1 ZINC001435169050 1064564662 /nfs/dbraw/zinc/56/46/62/1064564662.db2.gz NKKUXNCARRVNLO-UHFFFAOYSA-N 0 0 457.523 4.739 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359874051 1064565026 /nfs/dbraw/zinc/56/50/26/1064565026.db2.gz VEVICJFIPPJLHO-ZIAGYGMSSA-N 0 0 453.443 4.810 20 0 JJADRN CCOc1ccc(N(C(=O)Cc2ccc(F)c(F)c2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359875199 1064565371 /nfs/dbraw/zinc/56/53/71/1064565371.db2.gz LTNAHYCPKXYXKX-UHFFFAOYSA-N 0 0 456.455 4.966 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H]1CCCCS1 ZINC001359875287 1064565392 /nfs/dbraw/zinc/56/53/92/1064565392.db2.gz GYZFAAMBWOFMHR-ZCNNSNEGSA-N 0 0 463.692 4.598 20 0 JJADRN CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001359875974 1064566102 /nfs/dbraw/zinc/56/61/02/1064566102.db2.gz RQBIQFGMKXHDNY-OAQYLSRUSA-N 0 0 452.599 4.655 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c1 ZINC001435171157 1064565937 /nfs/dbraw/zinc/56/59/37/1064565937.db2.gz VAOODUVTLHFSGQ-UHFFFAOYSA-N 0 0 453.564 4.774 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)cc1Cl ZINC001359876818 1064567126 /nfs/dbraw/zinc/56/71/26/1064567126.db2.gz IAKQHJLUEIMPFZ-XDHUDOTRSA-N 0 0 478.012 4.615 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001359877312 1064567606 /nfs/dbraw/zinc/56/76/06/1064567606.db2.gz AFGBTQFWWQULHY-ZWOKBUDYSA-N 0 0 464.452 4.969 20 0 JJADRN CCCN(C(=O)c1ccn(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001359877698 1064567810 /nfs/dbraw/zinc/56/78/10/1064567810.db2.gz KGMFKZIIYFMCNX-UHFFFAOYSA-N 0 0 450.970 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)C1 ZINC001435174712 1064568376 /nfs/dbraw/zinc/56/83/76/1064568376.db2.gz XZCORHGHUABCDR-HRSBYAJKSA-N 0 0 460.640 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)C1 ZINC001435174709 1064568411 /nfs/dbraw/zinc/56/84/11/1064568411.db2.gz XZCORHGHUABCDR-CXXVBWBSSA-N 0 0 460.640 4.854 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001359878182 1064568775 /nfs/dbraw/zinc/56/87/75/1064568775.db2.gz HDXBXIFHDOPJOW-NJYVYQBISA-N 0 0 476.065 4.665 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001435174856 1064569000 /nfs/dbraw/zinc/56/90/00/1064569000.db2.gz YTBPBZNSIHDCJI-OKXSDPAFSA-N 0 0 459.011 4.913 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCSC2)C1 ZINC001359878409 1064569793 /nfs/dbraw/zinc/56/97/93/1064569793.db2.gz ITCJLMCETFENCC-IUKKYPGJSA-N 0 0 465.063 4.812 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001359878532 1064570038 /nfs/dbraw/zinc/57/00/38/1064570038.db2.gz JKAZMRQJTBHGLJ-QGZVFWFLSA-N 0 0 476.463 4.885 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(=O)C2CCC2)C1 ZINC001359879224 1064571307 /nfs/dbraw/zinc/57/13/07/1064571307.db2.gz RIMWEFRADLURJG-GOSISDBHSA-N 0 0 488.474 4.886 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001435179682 1064571645 /nfs/dbraw/zinc/57/16/45/1064571645.db2.gz PDJTXPAZGXXIAE-UHFFFAOYSA-N 0 0 452.711 4.583 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001359879245 1064571638 /nfs/dbraw/zinc/57/16/38/1064571638.db2.gz RQSDKZQQKDRDKW-UXHICEINSA-N 0 0 492.661 4.787 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001359879346 1064572351 /nfs/dbraw/zinc/57/23/51/1064572351.db2.gz UKDKSQSVTKSIIE-XLIONFOSSA-N 0 0 495.487 4.547 20 0 JJADRN O=C(Nc1cccc(CSCc2ccccc2)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001435181393 1064572507 /nfs/dbraw/zinc/57/25/07/1064572507.db2.gz UHSGCZHKTXYJEP-UHFFFAOYSA-N 0 0 452.601 4.813 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](F)c2ccc(Br)cc2)C1 ZINC001359879443 1064572951 /nfs/dbraw/zinc/57/29/51/1064572951.db2.gz VXVDRABOHAFCOK-VQIMIIECSA-N 0 0 480.426 4.762 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C1 ZINC001359879613 1064572981 /nfs/dbraw/zinc/57/29/81/1064572981.db2.gz YZYTUKWISNPRBY-SJBKTWHCSA-N 0 0 488.076 4.939 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001435182187 1064573025 /nfs/dbraw/zinc/57/30/25/1064573025.db2.gz ZTWODGAYAUMALR-QFIPXVFZSA-N 0 0 451.364 4.935 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001359879943 1064573442 /nfs/dbraw/zinc/57/34/42/1064573442.db2.gz ISMQVNZUMWMQNA-BTYIYWSLSA-N 0 0 450.362 4.926 20 0 JJADRN O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1c(F)ccc(Br)c1F ZINC001435182402 1064573585 /nfs/dbraw/zinc/57/35/85/1064573585.db2.gz CMPUFJXCAMCTRD-UHFFFAOYSA-N 0 0 458.262 4.578 20 0 JJADRN Cc1ncc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C2CC2)n1 ZINC001435182970 1064573689 /nfs/dbraw/zinc/57/36/89/1064573689.db2.gz GRDKIFABRRXTOL-UHFFFAOYSA-N 0 0 454.452 4.864 20 0 JJADRN CC(=O)c1ccc(OC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c(F)c1 ZINC001359880492 1064573725 /nfs/dbraw/zinc/57/37/25/1064573725.db2.gz FDVPRLIPBPUUST-QGZVFWFLSA-N 0 0 450.894 4.947 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435183816 1064574061 /nfs/dbraw/zinc/57/40/61/1064574061.db2.gz JDOHGKDASANSFP-XUZZJYLKSA-N 0 0 454.998 4.793 20 0 JJADRN C[C@@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435184003 1064574106 /nfs/dbraw/zinc/57/41/06/1064574106.db2.gz LCVSGBCQZBWKOH-CYBMUJFWSA-N 0 0 454.317 4.779 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001435184173 1064574175 /nfs/dbraw/zinc/57/41/75/1064574175.db2.gz MBVRBDSAXGGBJB-PMACEKPBSA-N 0 0 459.546 4.500 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185298 1064574458 /nfs/dbraw/zinc/57/44/58/1064574458.db2.gz QPMSHDHVINOJQX-MRXNPFEDSA-N 0 0 452.352 4.825 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001359881209 1064574946 /nfs/dbraw/zinc/57/49/46/1064574946.db2.gz UVRFVWRNAJVTTB-CYBMUJFWSA-N 0 0 457.299 4.991 20 0 JJADRN C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435186855 1064576151 /nfs/dbraw/zinc/57/61/51/1064576151.db2.gz VYQPTKAQOITIOQ-IBGZPJMESA-N 0 0 452.514 4.799 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)C1 ZINC001359882841 1064576773 /nfs/dbraw/zinc/57/67/73/1064576773.db2.gz DFNYCNPDCLKUMO-UXHICEINSA-N 0 0 499.647 4.937 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)C1 ZINC001359882843 1064576868 /nfs/dbraw/zinc/57/68/68/1064576868.db2.gz DFNYCNPDCLKUMO-VQTJNVASSA-N 0 0 499.647 4.937 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC001359883119 1064577271 /nfs/dbraw/zinc/57/72/71/1064577271.db2.gz FRXGYIDRHMODRD-UHFFFAOYSA-N 0 0 452.776 4.518 20 0 JJADRN CC(C)(C)OC(=O)CNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001435188579 1064577639 /nfs/dbraw/zinc/57/76/39/1064577639.db2.gz BRSWLEURJYUWTC-UHFFFAOYSA-N 0 0 452.363 4.979 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001359883408 1064577710 /nfs/dbraw/zinc/57/77/10/1064577710.db2.gz JWJZZQZLEYXRIV-YLJYHZDGSA-N 0 0 453.023 4.690 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359883602 1064577883 /nfs/dbraw/zinc/57/78/83/1064577883.db2.gz JJNFXPAQDRQABY-AUSIDOKSSA-N 0 0 468.596 4.717 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359883607 1064577904 /nfs/dbraw/zinc/57/79/04/1064577904.db2.gz JJNFXPAQDRQABY-WMZHIEFXSA-N 0 0 468.596 4.717 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)c12 ZINC001435188923 1064578389 /nfs/dbraw/zinc/57/83/89/1064578389.db2.gz CWHKBYVCVGRUGB-HNNXBMFYSA-N 0 0 457.372 4.509 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001435188864 1064578530 /nfs/dbraw/zinc/57/85/30/1064578530.db2.gz BZWIFUZZYQFGBD-MRXNPFEDSA-N 0 0 452.190 4.539 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(F)(F)F)C1 ZINC001359884505 1064578871 /nfs/dbraw/zinc/57/88/71/1064578871.db2.gz OTQWWEGTUOSHEZ-GOSISDBHSA-N 0 0 479.595 4.913 20 0 JJADRN CSc1ncc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1-c1ccccc1 ZINC001435189783 1064578973 /nfs/dbraw/zinc/57/89/73/1064578973.db2.gz MRBOJZHEUUPLOQ-UHFFFAOYSA-N 0 0 459.493 4.747 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 ZINC001359884745 1064579141 /nfs/dbraw/zinc/57/91/41/1064579141.db2.gz QBQAQVJSPWTTSC-LRSLUSHPSA-N 0 0 489.705 4.764 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)c2nc(Br)ccc2Br)[C@H](C)CO1 ZINC001435190088 1064579452 /nfs/dbraw/zinc/57/94/52/1064579452.db2.gz FERKXHKKWBPLTH-IUODEOHRSA-N 0 0 454.162 4.517 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](CC2CC2)c2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC001435190383 1064580076 /nfs/dbraw/zinc/58/00/76/1064580076.db2.gz XOQLPZKITLWGCV-QHCPKHFHSA-N 0 0 450.579 4.748 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190357 1064580204 /nfs/dbraw/zinc/58/02/04/1064580204.db2.gz HEQOYPIKAUVDIA-CJNGLKHVSA-N 0 0 457.434 4.984 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)C1 ZINC001359885308 1064580225 /nfs/dbraw/zinc/58/02/25/1064580225.db2.gz YNMZVVQRZGDQMO-VWNXMTODSA-N 0 0 497.684 4.806 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001435190823 1064580586 /nfs/dbraw/zinc/58/05/86/1064580586.db2.gz MNDHKYUPQIUPGK-MRXNPFEDSA-N 0 0 459.775 4.512 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 ZINC001359885644 1064580798 /nfs/dbraw/zinc/58/07/98/1064580798.db2.gz DOHKPAJVXOUXHQ-IBGZPJMESA-N 0 0 450.631 4.527 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)COc2ccc(Br)cc2)c1 ZINC001435192271 1064581167 /nfs/dbraw/zinc/58/11/67/1064581167.db2.gz PMKUOKMNGAXYFK-UHFFFAOYSA-N 0 0 452.308 4.814 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)C1 ZINC001359885774 1064581317 /nfs/dbraw/zinc/58/13/17/1064581317.db2.gz GRERXSWHINJKKF-OALUTQOASA-N 0 0 474.675 4.922 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001359886107 1064581356 /nfs/dbraw/zinc/58/13/56/1064581356.db2.gz ITFXSRBFHHTQTL-NEUULRRLSA-N 0 0 499.675 4.552 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359885744 1064581465 /nfs/dbraw/zinc/58/14/65/1064581465.db2.gz FNZNKEOHKARHQA-NHCUHLMSSA-N 0 0 495.672 4.550 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359885913 1064581500 /nfs/dbraw/zinc/58/15/00/1064581500.db2.gz IGXQNENRTKIYBN-NRFANRHFSA-N 0 0 465.667 4.747 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cccs2)C1 ZINC001359886505 1064581899 /nfs/dbraw/zinc/58/18/99/1064581899.db2.gz MGHYYNYRWCYECV-QKNQBKEWSA-N 0 0 473.687 4.561 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cccs2)C1 ZINC001359886506 1064582091 /nfs/dbraw/zinc/58/20/91/1064582091.db2.gz MGHYYNYRWCYECV-SFHLNBCPSA-N 0 0 473.687 4.561 20 0 JJADRN Cc1nc(C(C)(C)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc1C ZINC001435194278 1064582346 /nfs/dbraw/zinc/58/23/46/1064582346.db2.gz JAVMRAUSZDBHGG-UHFFFAOYSA-N 0 0 453.593 4.744 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 ZINC001435193615 1064582593 /nfs/dbraw/zinc/58/25/93/1064582593.db2.gz WNEUNRFKNIOMBL-QFIPXVFZSA-N 0 0 457.578 4.761 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359886845 1064582924 /nfs/dbraw/zinc/58/29/24/1064582924.db2.gz PSQXEBVBUNGFJG-OAQYLSRUSA-N 0 0 488.558 4.715 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001435195063 1064583023 /nfs/dbraw/zinc/58/30/23/1064583023.db2.gz LAZMKQVUUNLAMN-JDVWJECLSA-N 0 0 451.998 4.520 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)C1 ZINC001359886717 1064582954 /nfs/dbraw/zinc/58/29/54/1064582954.db2.gz OGHPVOJPDAHYMS-KRWDZBQOSA-N 0 0 473.971 4.877 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cc(Br)c(F)cc1F ZINC001435194471 1064583278 /nfs/dbraw/zinc/58/32/78/1064583278.db2.gz KQSLQWPQHFRENA-UHFFFAOYSA-N 0 0 454.271 4.780 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CCC2)C1 ZINC001359887733 1064583910 /nfs/dbraw/zinc/58/39/10/1064583910.db2.gz XZVBZOSORRZSKF-MSMKAVRHSA-N 0 0 493.718 4.524 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001435196185 1064584146 /nfs/dbraw/zinc/58/41/46/1064584146.db2.gz MSBXZARIDCNRCQ-MOXWOTFGSA-N 0 0 458.599 4.511 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccncc2)C1 ZINC001359887745 1064584335 /nfs/dbraw/zinc/58/43/35/1064584335.db2.gz YAKQRHFIXRFQHN-VSKRKVRLSA-N 0 0 468.646 4.559 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C(C)C ZINC001435196364 1064584550 /nfs/dbraw/zinc/58/45/50/1064584550.db2.gz SCSCJLZLRFQEFG-IEIRFRATSA-N 0 0 455.599 4.702 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccncc2)C1 ZINC001359887743 1064584589 /nfs/dbraw/zinc/58/45/89/1064584589.db2.gz YAKQRHFIXRFQHN-FDFHNCONSA-N 0 0 468.646 4.559 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001435197509 1064585684 /nfs/dbraw/zinc/58/56/84/1064585684.db2.gz QRFVLRPCDBTJOS-LYHRCORUSA-N 0 0 451.542 4.507 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)c1noc(C)n1 ZINC001435197940 1064585747 /nfs/dbraw/zinc/58/57/47/1064585747.db2.gz HAPDMOPOMFLWFU-NRFANRHFSA-N 0 0 450.882 4.747 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001359888631 1064585875 /nfs/dbraw/zinc/58/58/75/1064585875.db2.gz HGJYFRCPQVSVQJ-YKSBVNFPSA-N 0 0 466.573 4.768 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(N3CCCC3=O)cc2)n1C ZINC001435198747 1064586315 /nfs/dbraw/zinc/58/63/15/1064586315.db2.gz HYIBTGPKFUASLI-UHFFFAOYSA-N 0 0 453.340 4.537 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC001435198790 1064586444 /nfs/dbraw/zinc/58/64/44/1064586444.db2.gz LWDXQEINDZTCPA-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cc(S(C)(=O)=O)c(Cl)cc3Cl)cc2)nn1 ZINC001435198927 1064586719 /nfs/dbraw/zinc/58/67/19/1064586719.db2.gz MMEKACRNVLFTNT-UHFFFAOYSA-N 0 0 452.319 4.540 20 0 JJADRN CN(C(=O)CN1Cc2ccccc2OC1=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001435199011 1064586799 /nfs/dbraw/zinc/58/67/99/1064586799.db2.gz NHXKFFYXDSQNRA-UHFFFAOYSA-N 0 0 457.408 4.870 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001359889009 1064586871 /nfs/dbraw/zinc/58/68/71/1064586871.db2.gz KESKYADKEBAASV-OFVILXPXSA-N 0 0 476.065 4.527 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cccs1 ZINC001359889087 1064586950 /nfs/dbraw/zinc/58/69/50/1064586950.db2.gz LBUZSPQHGTWVMI-QFIPXVFZSA-N 0 0 494.503 4.974 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2coc(-c3ccccc3)n2)ccc1OCc1c(C)noc1C ZINC001435199937 1064587140 /nfs/dbraw/zinc/58/71/40/1064587140.db2.gz MJMWKEHJFHPMSU-ZRDIBKRKSA-N 0 0 459.502 4.864 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)cn2)cc1 ZINC001435199605 1064587170 /nfs/dbraw/zinc/58/71/70/1064587170.db2.gz PMIUKWUQKLPREH-UHFFFAOYSA-N 0 0 450.495 4.806 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)CCc2ccccc21 ZINC001435200037 1064587228 /nfs/dbraw/zinc/58/72/28/1064587228.db2.gz VAVQOWQTZJFJQT-HSZRJFAPSA-N 0 0 459.468 4.771 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc(-c2cccc(Br)c2)no1 ZINC001435199912 1064587282 /nfs/dbraw/zinc/58/72/82/1064587282.db2.gz SYJUFFTXIYCKQH-UHFFFAOYSA-N 0 0 459.687 4.738 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOCC2(CC2)C1 ZINC001359889152 1064587563 /nfs/dbraw/zinc/58/75/63/1064587563.db2.gz MBSMQLXFIQWQDY-FQEVSTJZSA-N 0 0 483.476 4.573 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CCc2ccccc21 ZINC001435200435 1064587617 /nfs/dbraw/zinc/58/76/17/1064587617.db2.gz YURXCXOQPVASJE-IBGZPJMESA-N 0 0 456.258 4.603 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001435200510 1064587634 /nfs/dbraw/zinc/58/76/34/1064587634.db2.gz ZJKDRJHPCPKRFA-UHFFFAOYSA-N 0 0 450.720 4.870 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC2CC2)CC1 ZINC001359889371 1064587828 /nfs/dbraw/zinc/58/78/28/1064587828.db2.gz NFZNJZNDSAHWLJ-HSZRJFAPSA-N 0 0 494.478 4.618 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001359889594 1064587961 /nfs/dbraw/zinc/58/79/61/1064587961.db2.gz CIFMAZRVCYFWLN-SQJMNOBHSA-N 0 0 489.567 4.640 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC ZINC001435200683 1064588050 /nfs/dbraw/zinc/58/80/50/1064588050.db2.gz UUNQCXCYIULGJL-MGPUTAFESA-N 0 0 458.356 4.624 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001359889949 1064588310 /nfs/dbraw/zinc/58/83/10/1064588310.db2.gz GMVCLBHDKAXHJU-VWLOTQADSA-N 0 0 469.033 4.507 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001359889997 1064588438 /nfs/dbraw/zinc/58/84/38/1064588438.db2.gz QROXSMYUGUMWLD-DFBJGRDBSA-N 0 0 494.055 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ZINC001359892432 1064593803 /nfs/dbraw/zinc/59/38/03/1064593803.db2.gz NXFJXAFAPOCTQE-UHFFFAOYSA-N 0 0 458.312 4.614 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001359894226 1064595104 /nfs/dbraw/zinc/59/51/04/1064595104.db2.gz MHTMIHJWIIVNQL-HOKHCIIBSA-N 0 0 475.703 4.652 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C ZINC001359894177 1064595260 /nfs/dbraw/zinc/59/52/60/1064595260.db2.gz LMRKBSPPBZRIJH-FQRUVTKNSA-N 0 0 477.694 4.959 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001359894601 1064595515 /nfs/dbraw/zinc/59/55/15/1064595515.db2.gz OVYRLMOFONIQEP-GRWTVWFQSA-N 0 0 479.547 4.770 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC[S@@](=O)Cc3ccccc3)cc12 ZINC001435214494 1064595749 /nfs/dbraw/zinc/59/57/49/1064595749.db2.gz AGWLFKQEZPRPGK-SSEXGKCCSA-N 0 0 458.008 4.728 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001359894599 1064595649 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/nfs/dbraw/zinc/59/77/93/1064597793.db2.gz KRPQOMHAJMCYDF-OPNQQPSUSA-N 0 0 478.584 4.705 20 0 JJADRN Cc1ccc(OCCCC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c(Cl)c1 ZINC001435218504 1064598146 /nfs/dbraw/zinc/59/81/46/1064598146.db2.gz YTJSTGGXLVORNY-UHFFFAOYSA-N 0 0 451.954 4.795 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001359896344 1064598791 /nfs/dbraw/zinc/59/87/91/1064598791.db2.gz OZWAJGPGZVARGL-ZBLYBZFDSA-N 0 0 469.674 4.543 20 0 JJADRN Cc1cn(CC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)nc1C(F)(F)F ZINC001359896346 1064598809 /nfs/dbraw/zinc/59/88/09/1064598809.db2.gz DUAHZNVAMGVDKN-HXUWFJFHSA-N 0 0 456.468 4.826 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359896727 1064599296 /nfs/dbraw/zinc/59/92/96/1064599296.db2.gz RYJBAMALXWMOJU-ZWDAVXSWSA-N 0 0 456.528 4.830 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001359896859 1064599313 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UVEHSNJTBOVLEN-HNNXBMFYSA-N 0 0 451.585 4.918 20 0 JJADRN O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001435223457 1064604499 /nfs/dbraw/zinc/60/44/99/1064604499.db2.gz WOWYAJVSMUROGL-CQSZACIVSA-N 0 0 457.905 4.880 20 0 JJADRN CC(C)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359899032 1064604563 /nfs/dbraw/zinc/60/45/63/1064604563.db2.gz JTKBVUXRHXFGDC-UHFFFAOYSA-N 0 0 475.424 4.983 20 0 JJADRN Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001435223278 1064604632 /nfs/dbraw/zinc/60/46/32/1064604632.db2.gz DZZGIBFZVSVOFO-JTQLQIEISA-N 0 0 454.367 4.535 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001359898993 1064604658 /nfs/dbraw/zinc/60/46/58/1064604658.db2.gz FHBRTUIVWZXXDZ-FTJBHMTQSA-N 0 0 468.667 4.870 20 0 JJADRN O=C(Nc1ccccc1OCC1CC1)c1cnn(-c2ccccc2)c1I ZINC001435224365 1064605460 /nfs/dbraw/zinc/60/54/60/1064605460.db2.gz FEMXPPASXYQLKL-UHFFFAOYSA-N 0 0 459.287 4.518 20 0 JJADRN 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GIZKTEPDUAWURE-KRWDZBQOSA-N 0 0 454.548 4.907 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC001435277116 1064655633 /nfs/dbraw/zinc/65/56/33/1064655633.db2.gz BZJLVTLXHAOTTC-QMHKHESXSA-N 0 0 457.979 4.761 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)[C@H](CC3CCCCC3)NC(=O)OC(C)(C)C)cc21 ZINC001435277589 1064655742 /nfs/dbraw/zinc/65/57/42/1064655742.db2.gz LBBWIQBQLCDEMT-FQEVSTJZSA-N 0 0 458.603 4.581 20 0 JJADRN COCCNC(=O)CSc1ccccc1C(=O)O[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC001435277144 1064655767 /nfs/dbraw/zinc/65/57/67/1064655767.db2.gz PUBMIZYLUYEPDV-KRWDZBQOSA-N 0 0 453.560 4.621 20 0 JJADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCC(C)CC1 ZINC001435276968 1064655783 /nfs/dbraw/zinc/65/57/83/1064655783.db2.gz DJSZBXPJDPITMS-UYAOXDASSA-N 0 0 451.677 4.508 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cn1)C1CC1 ZINC001359924706 1064655962 /nfs/dbraw/zinc/65/59/62/1064655962.db2.gz WZHHCYKGNXWACF-LJQANCHMSA-N 0 0 486.636 4.990 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CN(CCc1ccccc1)C(C)=O)c1ccccc1Cl ZINC001435278588 1064656215 /nfs/dbraw/zinc/65/62/15/1064656215.db2.gz HZEXYFHWIVDMRV-AREMUKBSSA-N 0 0 450.966 4.645 20 0 JJADRN COC(=O)c1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)c(Br)cc1F ZINC001435278121 1064656313 /nfs/dbraw/zinc/65/63/13/1064656313.db2.gz GICGVTZKPKUCIK-UHFFFAOYSA-N 0 0 451.075 4.699 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC001359925108 1064656264 /nfs/dbraw/zinc/65/62/64/1064656264.db2.gz NDQATLYBDDYDAT-OAQYLSRUSA-N 0 0 457.617 4.669 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 ZINC001359926152 1064657302 /nfs/dbraw/zinc/65/73/02/1064657302.db2.gz DSQFRSRBRZBOJB-DEOSSOPVSA-N 0 0 473.543 4.729 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)Oc1cccc(Cl)c1 ZINC001435281639 1064658924 /nfs/dbraw/zinc/65/89/24/1064658924.db2.gz ZVRBTNIIAHLJMZ-CYBMUJFWSA-N 0 0 455.723 4.560 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC001359926531 1064659294 /nfs/dbraw/zinc/65/92/94/1064659294.db2.gz RKJYCERAWHSONA-UHFFFAOYSA-N 0 0 450.534 4.802 20 0 JJADRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1ccc(Br)c(C)n1 ZINC001435283575 1064661109 /nfs/dbraw/zinc/66/11/09/1064661109.db2.gz JJTYHKPQLMYSHG-UHFFFAOYSA-N 0 0 450.292 4.514 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC001435283956 1064662060 /nfs/dbraw/zinc/66/20/60/1064662060.db2.gz DEPQAYBGCITRFW-UHFFFAOYSA-N 0 0 458.466 4.930 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001435284619 1064662085 /nfs/dbraw/zinc/66/20/85/1064662085.db2.gz LXNIHXXRHKQCGK-OYHNWAKOSA-N 0 0 456.384 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1Cc1ccc(F)cc1C(F)(F)F ZINC001545890003 1064662664 /nfs/dbraw/zinc/66/26/64/1064662664.db2.gz NRLFUNUUQWNHFU-LIRRHRJNSA-N 0 0 467.511 4.782 20 0 JJADRN CC1(C)[C@@H]2CN(C(=O)c3cnn(-c4ncc(C(F)(F)F)cc4Cl)c3C(F)(F)F)C[C@@H]21 ZINC001435286264 1064663181 /nfs/dbraw/zinc/66/31/81/1064663181.db2.gz JUJNMROQRRBGRK-PHIMTYICSA-N 0 0 452.786 4.686 20 0 JJADRN CN(C)c1cc(CNC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)c2ccccc2n1 ZINC001435287104 1064663201 /nfs/dbraw/zinc/66/32/01/1064663201.db2.gz RLCBEIKEFRLOCD-DEOSSOPVSA-N 0 0 454.977 4.937 20 0 JJADRN CO[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(Cl)cc1 ZINC001435287115 1064663277 /nfs/dbraw/zinc/66/32/77/1064663277.db2.gz JBFNLKCFZODAMY-GOSISDBHSA-N 0 0 456.930 4.906 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21)c1nc(C(F)(F)F)cs1 ZINC001435287796 1064664121 /nfs/dbraw/zinc/66/41/21/1064664121.db2.gz AELWLOAUROTJKU-QWHCGFSZSA-N 0 0 455.531 4.711 20 0 JJADRN Cc1cc(C(=O)N2CCCc3c(C)ccc(F)c32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001359928459 1064664729 /nfs/dbraw/zinc/66/47/29/1064664729.db2.gz YZNNFGAECYXNMA-UHFFFAOYSA-N 0 0 458.599 4.765 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001359928843 1064665539 /nfs/dbraw/zinc/66/55/39/1064665539.db2.gz PCTJXIKKCBNAFJ-MRXNPFEDSA-N 0 0 453.539 4.894 20 0 JJADRN CCCC1CCC(N(C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)C(C)C)CC1 ZINC001359929129 1064665551 /nfs/dbraw/zinc/66/55/51/1064665551.db2.gz XILVYBIUIURKBM-MWXLCCTBSA-N 0 0 451.677 4.655 20 0 JJADRN CC[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1nc(C(F)(F)F)cs1 ZINC001435290672 1064666628 /nfs/dbraw/zinc/66/66/28/1064666628.db2.gz MLMGRIOQTWYOMK-ZDUSSCGKSA-N 0 0 456.440 4.996 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)cc2)c1C ZINC001435291012 1064666738 /nfs/dbraw/zinc/66/67/38/1064666738.db2.gz NFIHHXWAYKMECP-KBMIEXCESA-N 0 0 459.590 4.861 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC001435290951 1064666742 /nfs/dbraw/zinc/66/67/42/1064666742.db2.gz SYTVVZOPZDLVCX-UKILVPOCSA-N 0 0 454.636 4.886 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001435292133 1064667235 /nfs/dbraw/zinc/66/72/35/1064667235.db2.gz VKDLQCLVNJTJCT-IBGZPJMESA-N 0 0 450.608 4.617 20 0 JJADRN C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)Oc1ccc(Cl)cc1 ZINC001435292316 1064668194 /nfs/dbraw/zinc/66/81/94/1064668194.db2.gz AVGXVZDDYGJRCO-LBPRGKRZSA-N 0 0 452.711 4.625 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001435292525 1064668224 /nfs/dbraw/zinc/66/82/24/1064668224.db2.gz ZBQZHTWOVZBIJQ-LJQANCHMSA-N 0 0 458.444 4.869 20 0 JJADRN Cc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)nn1-c1ccc(Cl)cc1Cl ZINC001359931166 1064669054 /nfs/dbraw/zinc/66/90/54/1064669054.db2.gz FXOYYMGRINOPCF-UHFFFAOYSA-N 0 0 457.361 4.540 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC001359931738 1064669949 /nfs/dbraw/zinc/66/99/49/1064669949.db2.gz AOZLUBCIGBCXJK-GFCCVEGCSA-N 0 0 450.885 4.512 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC001359932497 1064670423 /nfs/dbraw/zinc/67/04/23/1064670423.db2.gz VRLBUYHCOBTKLP-UHFFFAOYSA-N 0 0 458.331 4.977 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001435295048 1064671229 /nfs/dbraw/zinc/67/12/29/1064671229.db2.gz HEIBXTFBSQGRGN-PIGZYNQJSA-N 0 0 457.155 4.617 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001435295249 1064671274 /nfs/dbraw/zinc/67/12/74/1064671274.db2.gz IZUJZNWYQIQCTH-LLVKDONJSA-N 0 0 451.836 4.618 20 0 JJADRN C[C@H](OC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)c1nc2ccccc2n1C ZINC001435294904 1064671300 /nfs/dbraw/zinc/67/13/00/1064671300.db2.gz GGQYRPPIDNORSZ-HNNXBMFYSA-N 0 0 454.527 4.594 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1C(F)(F)F ZINC001435295304 1064671430 /nfs/dbraw/zinc/67/14/30/1064671430.db2.gz KGVIOMIFIWHGMO-QGZVFWFLSA-N 0 0 451.836 4.538 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001359932840 1064671476 /nfs/dbraw/zinc/67/14/76/1064671476.db2.gz GYQQPRXNEWHZMW-UONOGXRCSA-N 0 0 491.883 4.665 20 0 JJADRN CO[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)C ZINC001435295494 1064671789 /nfs/dbraw/zinc/67/17/89/1064671789.db2.gz MDRJRLSAPTUWBT-NRFANRHFSA-N 0 0 456.384 4.632 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)Oc1ccc(Cl)cc1 ZINC001435295418 1064671867 /nfs/dbraw/zinc/67/18/67/1064671867.db2.gz XZUPDKCXUMCUCR-OTWHNJEPSA-N 0 0 458.986 4.706 20 0 JJADRN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cc(Cl)cc(Br)c1 ZINC001435295855 1064671949 /nfs/dbraw/zinc/67/19/49/1064671949.db2.gz NSNVHSYPWSTZCY-UHFFFAOYSA-N 0 0 453.127 4.861 20 0 JJADRN O=C(CCC(=O)N1CC[C@H](COCc2ccccc2)C1)NC(c1ccccc1)c1ccccc1 ZINC001435295972 1064671969 /nfs/dbraw/zinc/67/19/69/1064671969.db2.gz DRNMEILESVLXDV-DEOSSOPVSA-N 0 0 456.586 4.738 20 0 JJADRN CC(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359933064 1064672998 /nfs/dbraw/zinc/67/29/98/1064672998.db2.gz BICWGIJFPLPEER-UHFFFAOYSA-N 0 0 485.629 4.598 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359933104 1064673046 /nfs/dbraw/zinc/67/30/46/1064673046.db2.gz CDNHJPIIGGEKGD-CYBMUJFWSA-N 0 0 480.398 4.888 20 0 JJADRN Cn1c2ccc(F)cc2nc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001435297434 1064673570 /nfs/dbraw/zinc/67/35/70/1064673570.db2.gz YAJNJMIQENPLGI-UHFFFAOYSA-N 0 0 452.530 4.918 20 0 JJADRN CC(C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001359933363 1064673711 /nfs/dbraw/zinc/67/37/11/1064673711.db2.gz QPAAVOOTOKMCBV-IBGZPJMESA-N 0 0 464.701 4.725 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359933533 1064674506 /nfs/dbraw/zinc/67/45/06/1064674506.db2.gz SSPVIXWTPCKUDU-IBGZPJMESA-N 0 0 461.582 4.518 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001435299805 1064675263 /nfs/dbraw/zinc/67/52/63/1064675263.db2.gz KJCYKACRPHMHGO-CABCVRRESA-N 0 0 456.867 4.988 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001435299809 1064675293 /nfs/dbraw/zinc/67/52/93/1064675293.db2.gz KJCYKACRPHMHGO-LSDHHAIUSA-N 0 0 456.867 4.988 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001435300444 1064676106 /nfs/dbraw/zinc/67/61/06/1064676106.db2.gz MGSDXMKQENGNBP-LJQANCHMSA-N 0 0 454.368 4.622 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001435302514 1064677777 /nfs/dbraw/zinc/67/77/77/1064677777.db2.gz ROPSKNKLJIXJLK-LJQANCHMSA-N 0 0 455.308 4.899 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC001435302481 1064677813 /nfs/dbraw/zinc/67/78/13/1064677813.db2.gz QKJNNPJPFWOXNY-OAHLLOKOSA-N 0 0 455.502 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001435302145 1064677823 /nfs/dbraw/zinc/67/78/23/1064677823.db2.gz QNHJMBFCDMAARW-QGZVFWFLSA-N 0 0 458.546 4.943 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001359934261 1064677886 /nfs/dbraw/zinc/67/78/86/1064677886.db2.gz BOMBDUNCNNUADC-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001359935550 1064678564 /nfs/dbraw/zinc/67/85/64/1064678564.db2.gz ITHYYQGRDSTQDS-JOCHJYFZSA-N 0 0 458.555 4.747 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(F)cc1F ZINC001359934824 1064678603 /nfs/dbraw/zinc/67/86/03/1064678603.db2.gz XGVQEKMOINPHOA-HSZRJFAPSA-N 0 0 452.457 4.528 20 0 JJADRN CC(=O)N1CCC(CNC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001359935288 1064678643 /nfs/dbraw/zinc/67/86/43/1064678643.db2.gz FCYRBMKIBYHQBB-UHFFFAOYSA-N 0 0 454.423 4.769 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@H](C)Oc2ccc(C)cc2)cc1 ZINC001435305116 1064679334 /nfs/dbraw/zinc/67/93/34/1064679334.db2.gz UVNKIGOSJMERAO-NRFANRHFSA-N 0 0 455.558 4.983 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC001435304475 1064679375 /nfs/dbraw/zinc/67/93/75/1064679375.db2.gz XGEQBUOXPKKIGM-NFQMXDRXSA-N 0 0 454.574 4.586 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)nnc1-c1ccc(Cl)cc1 ZINC001435305845 1064680185 /nfs/dbraw/zinc/68/01/85/1064680185.db2.gz HTHWKCFUGDLJEI-CQSZACIVSA-N 0 0 458.971 4.533 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001435306924 1064680955 /nfs/dbraw/zinc/68/09/55/1064680955.db2.gz BAXDBPIYDNWWQO-HXUWFJFHSA-N 0 0 456.999 4.778 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001435307328 1064681040 /nfs/dbraw/zinc/68/10/40/1064681040.db2.gz OTLWBHGACRPFKZ-KBXCAEBGSA-N 0 0 459.493 4.677 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)Cc1nsc2ccccc12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938315 1064681508 /nfs/dbraw/zinc/68/15/08/1064681508.db2.gz LNASUZDEPPFRDS-MZNJEOGPSA-N 0 0 450.608 4.609 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 ZINC001435308841 1064682464 /nfs/dbraw/zinc/68/24/64/1064682464.db2.gz QJXQSKNKTXNWBL-DSITVLBTSA-N 0 0 452.595 4.920 20 0 JJADRN CC(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001359938506 1064682561 /nfs/dbraw/zinc/68/25/61/1064682561.db2.gz KVYFTHZRDROCGP-GOSISDBHSA-N 0 0 492.393 4.961 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001359938687 1064682631 /nfs/dbraw/zinc/68/26/31/1064682631.db2.gz LZEHRBFWPCXMES-UHFFFAOYSA-N 0 0 499.656 4.846 20 0 JJADRN Cc1nn(C)c(-n2cccn2)c1C(=O)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC001435308657 1064682649 /nfs/dbraw/zinc/68/26/49/1064682649.db2.gz PVQQRIOMJIXEPN-UHFFFAOYSA-N 0 0 456.424 4.731 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC001435309251 1064683259 /nfs/dbraw/zinc/68/32/59/1064683259.db2.gz WFKHARZOLROJAP-GCJKJVERSA-N 0 0 454.368 4.841 20 0 JJADRN CC(C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001359939525 1064683417 /nfs/dbraw/zinc/68/34/17/1064683417.db2.gz VGTIQYZNXWKBKX-AZUAARDMSA-N 0 0 463.420 4.559 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359939907 1064683996 /nfs/dbraw/zinc/68/39/96/1064683996.db2.gz ACUMLBFUAGBRKQ-FQEVSTJZSA-N 0 0 461.651 4.815 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc2cnccc2c1 ZINC001359940002 1064684132 /nfs/dbraw/zinc/68/41/32/1064684132.db2.gz CUDCQQWSIRNHQM-HSZRJFAPSA-N 0 0 494.640 4.817 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001435310081 1064684322 /nfs/dbraw/zinc/68/43/22/1064684322.db2.gz RUQBHOFBFIHIRQ-HOTGVXAUSA-N 0 0 451.792 4.775 20 0 JJADRN Cc1cccc(C2(CNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)CCCC2)c1 ZINC001359940409 1064684906 /nfs/dbraw/zinc/68/49/06/1064684906.db2.gz DSYLOZNZYDLSKY-NRFANRHFSA-N 0 0 454.636 4.657 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)cc2)cc1 ZINC001435313068 1064685799 /nfs/dbraw/zinc/68/57/99/1064685799.db2.gz KESYWNWGTMKASH-OAQYLSRUSA-N 0 0 450.604 4.798 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)c2cc3cc(C(F)(F)F)ccc3s2)cc1 ZINC001435312254 1064685836 /nfs/dbraw/zinc/68/58/36/1064685836.db2.gz UILGZOYXIRFXEW-UHFFFAOYSA-N 0 0 451.466 4.835 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cnc(Cc2ccccc2)s1 ZINC001435313538 1064685939 /nfs/dbraw/zinc/68/59/39/1064685939.db2.gz UYKIDVCJUSRXQC-UHFFFAOYSA-N 0 0 456.255 4.869 20 0 JJADRN CC(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359942042 1064686506 /nfs/dbraw/zinc/68/65/06/1064686506.db2.gz ZQIIZTRWNQXKIK-KNQAVFIVSA-N 0 0 485.629 4.530 20 0 JJADRN Cc1cc(C)cc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001359941897 1064686661 /nfs/dbraw/zinc/68/66/61/1064686661.db2.gz PLKMICFFSLGHMC-SFHVURJKSA-N 0 0 454.617 4.603 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001359943060 1064687317 /nfs/dbraw/zinc/68/73/17/1064687317.db2.gz AJYMCQROOKYKQD-GDBMZVCRSA-N 0 0 459.450 4.985 20 0 JJADRN CC(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359942704 1064687352 /nfs/dbraw/zinc/68/73/52/1064687352.db2.gz HCJCALMZOPHAHL-LJQANCHMSA-N 0 0 466.630 4.842 20 0 JJADRN CC(C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359943026 1064687397 /nfs/dbraw/zinc/68/73/97/1064687397.db2.gz QHCGSDMRCXWOFS-LJQANCHMSA-N 0 0 454.644 4.642 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001359943142 1064687411 /nfs/dbraw/zinc/68/74/11/1064687411.db2.gz BKWAPKHITPPVEH-GOSISDBHSA-N 0 0 453.421 4.926 20 0 JJADRN CC(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359943713 1064688375 /nfs/dbraw/zinc/68/83/75/1064688375.db2.gz GHUWPKODFHFKOD-IBGZPJMESA-N 0 0 461.582 4.536 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001435316634 1064689096 /nfs/dbraw/zinc/68/90/96/1064689096.db2.gz KNBCWPRFZHPLJG-PGRDOPGGSA-N 0 0 451.567 4.710 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435317407 1064690234 /nfs/dbraw/zinc/69/02/34/1064690234.db2.gz LKIXCXIHGYJSGW-XMMPIXPASA-N 0 0 457.979 4.509 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1OC ZINC001435317035 1064690323 /nfs/dbraw/zinc/69/03/23/1064690323.db2.gz LHXXITKOYOPERC-MRXNPFEDSA-N 0 0 458.555 4.869 20 0 JJADRN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001359944402 1064690805 /nfs/dbraw/zinc/69/08/05/1064690805.db2.gz SBTHZAKVNSTLOH-FQRUVTKNSA-N 0 0 456.631 4.585 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001359944393 1064690835 /nfs/dbraw/zinc/69/08/35/1064690835.db2.gz SACRTGZOLMXRCN-YOEHRIQHSA-N 0 0 491.352 4.822 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359944592 1064691768 /nfs/dbraw/zinc/69/17/68/1064691768.db2.gz WTMRGIKLQOWCPW-PXNSSMCTSA-N 0 0 478.037 4.906 20 0 JJADRN CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c2ccccc2O1 ZINC001435318506 1064691829 /nfs/dbraw/zinc/69/18/29/1064691829.db2.gz JMBZBNBWTSJSGY-NRFANRHFSA-N 0 0 450.560 4.720 20 0 JJADRN CCOc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319435 1064692712 /nfs/dbraw/zinc/69/27/12/1064692712.db2.gz CRUZAPAPINCCJC-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001359946077 1064693960 /nfs/dbraw/zinc/69/39/60/1064693960.db2.gz CROPRHZCGXYSCB-QHAWAJNXSA-N 0 0 452.517 4.718 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccccc1 ZINC001359946260 1064694135 /nfs/dbraw/zinc/69/41/35/1064694135.db2.gz GRYOQCJPULZLHT-SFHVURJKSA-N 0 0 456.543 4.863 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001359946075 1064694230 /nfs/dbraw/zinc/69/42/30/1064694230.db2.gz CROPRHZCGXYSCB-PWRODBHTSA-N 0 0 452.517 4.718 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cnn1Cc1ccccc1 ZINC001359947012 1064694982 /nfs/dbraw/zinc/69/49/82/1064694982.db2.gz WWNXKCBMIYXEMZ-RUZDIDTESA-N 0 0 450.627 4.527 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC001359946858 1064694994 /nfs/dbraw/zinc/69/49/94/1064694994.db2.gz RHFIQLJEXPSIMS-OAQYLSRUSA-N 0 0 458.400 4.641 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001435320882 1064695110 /nfs/dbraw/zinc/69/51/10/1064695110.db2.gz CTGVRLHINJMHMW-JKSUJKDBSA-N 0 0 451.419 4.776 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435321020 1064695134 /nfs/dbraw/zinc/69/51/34/1064695134.db2.gz GMFAXTPYPVINNL-ZDUSSCGKSA-N 0 0 459.295 4.928 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435321019 1064695150 /nfs/dbraw/zinc/69/51/50/1064695150.db2.gz GMFAXTPYPVINNL-CYBMUJFWSA-N 0 0 459.295 4.928 20 0 JJADRN CC(C)CCn1c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359947526 1064697318 /nfs/dbraw/zinc/69/73/18/1064697318.db2.gz NMSDUCDAFVUMIQ-XFAFFCHDSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1cc(N2CCC(NC(=O)c3ccccc3OCc3ccccc3Cl)CC2)nc(C)n1 ZINC001435327508 1064699456 /nfs/dbraw/zinc/69/94/56/1064699456.db2.gz LHCXVRCBDMFJAE-UHFFFAOYSA-N 0 0 450.970 4.725 20 0 JJADRN CSc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435327859 1064699464 /nfs/dbraw/zinc/69/94/64/1064699464.db2.gz FNWWFTWFHOUEMZ-DEOSSOPVSA-N 0 0 457.592 4.790 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)c1 ZINC001435328823 1064700367 /nfs/dbraw/zinc/70/03/67/1064700367.db2.gz MNNBNRYNLZOUPI-RXFWQSSRSA-N 0 0 451.563 4.945 20 0 JJADRN COc1ccc(CC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1OC(F)F ZINC001359948885 1064701110 /nfs/dbraw/zinc/70/11/10/1064701110.db2.gz RNFOGEGMVLKWDI-UHFFFAOYSA-N 0 0 453.445 4.705 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330140 1064701140 /nfs/dbraw/zinc/70/11/40/1064701140.db2.gz LAAXZPLKPOCAKA-RUZDIDTESA-N 0 0 451.588 4.672 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001435329803 1064701301 /nfs/dbraw/zinc/70/13/01/1064701301.db2.gz IDJQCFWSFMTKTQ-SIBVEZHUSA-N 0 0 459.567 4.916 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001435330327 1064701784 /nfs/dbraw/zinc/70/17/84/1064701784.db2.gz MPBCSACPAIYUEF-UHFFFAOYSA-N 0 0 455.146 4.915 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccncc2Oc2ccccc2)c1 ZINC001359949582 1064702084 /nfs/dbraw/zinc/70/20/84/1064702084.db2.gz KSMSYYWTQZLYOI-UHFFFAOYSA-N 0 0 452.514 4.618 20 0 JJADRN CC(C)(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1cccc(Cl)c1F ZINC001359949460 1064702155 /nfs/dbraw/zinc/70/21/55/1064702155.db2.gz FNVMFRXQGPLUGI-UHFFFAOYSA-N 0 0 453.945 4.887 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331441 1064702639 /nfs/dbraw/zinc/70/26/39/1064702639.db2.gz FIKBTKPKHGNASL-HFMPRLQTSA-N 0 0 455.526 4.686 20 0 JJADRN CCC(CC)(CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)c1ccccc1 ZINC001435331696 1064702992 /nfs/dbraw/zinc/70/29/92/1064702992.db2.gz FZEUSAGQDJFXLY-OYRHEFFESA-N 0 0 456.652 4.841 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCn2cncn2)cc1 ZINC001359950016 1064703053 /nfs/dbraw/zinc/70/30/53/1064703053.db2.gz BZCBEWNXCNZFTO-HXUWFJFHSA-N 0 0 451.619 4.534 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2([S@](C)=O)CC2)cc1 ZINC001359950039 1064703103 /nfs/dbraw/zinc/70/31/03/1064703103.db2.gz CQNDCNZRIFZSCP-HEKQDTSFSA-N 0 0 476.712 4.611 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)[C@@H]2CCCO[C@@H]21 ZINC001435331635 1064703213 /nfs/dbraw/zinc/70/32/13/1064703213.db2.gz GCLKPICDVXBYCR-ZCNNSNEGSA-N 0 0 457.368 4.635 20 0 JJADRN CCC(CC)(CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1ccccc1 ZINC001435331698 1064703226 /nfs/dbraw/zinc/70/32/26/1064703226.db2.gz FZEUSAGQDJFXLY-SFTDATJTSA-N 0 0 456.652 4.841 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H]4CCC[C@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359950116 1064703640 /nfs/dbraw/zinc/70/36/40/1064703640.db2.gz FDBIDCFAJKOTMY-IFMALSPDSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCC2(O)CCOCC2)cc1 ZINC001359950078 1064703823 /nfs/dbraw/zinc/70/38/23/1064703823.db2.gz DOUUJQDFDPHUFL-YADHBBJMSA-N 0 0 470.658 4.926 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)ccc2NC1=O ZINC001435332251 1064704096 /nfs/dbraw/zinc/70/40/96/1064704096.db2.gz JAKHCLRZUITSAP-SZNDQCEHSA-N 0 0 451.548 4.631 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001435332651 1064704922 /nfs/dbraw/zinc/70/49/22/1064704922.db2.gz KXRDSAKCSDIMPB-XMMPIXPASA-N 0 0 455.601 4.637 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3c(Cl)cc(F)cc3Br)ccc2NC1=O ZINC001435333643 1064705338 /nfs/dbraw/zinc/70/53/38/1064705338.db2.gz PYWOUEGKCZBOJP-VFZGTOFNSA-N 0 0 455.711 4.842 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc4sc(N(CC)CC)nc4s3)ccc2NC1=O ZINC001435334330 1064706360 /nfs/dbraw/zinc/70/63/60/1064706360.db2.gz SBFGHQLZOWMQNQ-IUODEOHRSA-N 0 0 458.609 4.805 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 ZINC001435335065 1064706402 /nfs/dbraw/zinc/70/64/02/1064706402.db2.gz VMTBTUVJGRQZHC-KRWDZBQOSA-N 0 0 450.535 4.727 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3c(Cl)cccc3Br)ccc2NC1=O ZINC001435335790 1064707016 /nfs/dbraw/zinc/70/70/16/1064707016.db2.gz YQDPVEKKJNNMGQ-GTNSWQLSSA-N 0 0 451.748 4.632 20 0 JJADRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(I)c(Br)c1 ZINC001435335804 1064707078 /nfs/dbraw/zinc/70/70/78/1064707078.db2.gz HGJUHZPQPPZLDX-DOTOQJQBSA-N 0 0 456.121 4.514 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001359950799 1064707103 /nfs/dbraw/zinc/70/71/03/1064707103.db2.gz NZKRKISSRFYFMW-ZRZAMGCNSA-N 0 0 497.684 4.776 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H]2CCCOC2)cc1 ZINC001359951120 1064707998 /nfs/dbraw/zinc/70/79/98/1064707998.db2.gz RZRCNTYHVAATKR-CNNODRBYSA-N 0 0 496.574 4.953 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCOc1cccc(I)c1 ZINC001435339322 1064708683 /nfs/dbraw/zinc/70/86/83/1064708683.db2.gz FJWNDVSLSAQIJC-LJQANCHMSA-N 0 0 451.348 4.848 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001359951229 1064708817 /nfs/dbraw/zinc/70/88/17/1064708817.db2.gz UOYCRLVIQXQEOA-IBGZPJMESA-N 0 0 477.581 4.887 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC001359951376 1064709802 /nfs/dbraw/zinc/70/98/02/1064709802.db2.gz XDDLHQKBZPJYGG-KRWDZBQOSA-N 0 0 452.016 4.633 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC2(CC(C)C)CC2)cc1 ZINC001359951539 1064709838 /nfs/dbraw/zinc/70/98/38/1064709838.db2.gz YPQQLJMFCFPUID-OAQYLSRUSA-N 0 0 467.658 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCC(=O)N(C)C)cc1 ZINC001359951544 1064710181 /nfs/dbraw/zinc/71/01/81/1064710181.db2.gz YSDPYXIGUSFGLI-UHFFFAOYSA-N 0 0 481.563 4.627 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001359951605 1064710221 /nfs/dbraw/zinc/71/02/21/1064710221.db2.gz ZSKKPUXLTQWKNX-NHCUHLMSSA-N 0 0 462.642 4.972 20 0 JJADRN COCCN(C(=O)c1cc(C)nc2cc(Br)ccc21)c1ccc(OC)c(OC)c1 ZINC001435341721 1064710409 /nfs/dbraw/zinc/71/04/09/1064710409.db2.gz PFWJTMUQRRCXGV-UHFFFAOYSA-N 0 0 459.340 4.616 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC=CO2)cc1 ZINC001359951701 1064710561 /nfs/dbraw/zinc/71/05/61/1064710561.db2.gz CIVGXEWODUVBOC-NOZRDPDXSA-N 0 0 495.668 4.804 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cnnn2-c2cccc(F)c2)c2cc(F)ccc2F)c1 ZINC001435341068 1064710619 /nfs/dbraw/zinc/71/06/19/1064710619.db2.gz UDVSYSSGKZRTEA-QFIPXVFZSA-N 0 0 454.477 4.926 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cccc(CC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435340991 1064710631 /nfs/dbraw/zinc/71/06/31/1064710631.db2.gz DBGXPFKVAQMUEN-UHFFFAOYSA-N 0 0 455.358 4.917 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359951732 1064710728 /nfs/dbraw/zinc/71/07/28/1064710728.db2.gz DROUDVZTRNCEAE-GZGNHOFSSA-N 0 0 497.684 4.536 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCNC(=O)C2CC2)cc1 ZINC001359951673 1064710741 /nfs/dbraw/zinc/71/07/41/1064710741.db2.gz BOVDUNAYDMPUAY-UHFFFAOYSA-N 0 0 492.451 4.796 20 0 JJADRN CCCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001435341366 1064710669 /nfs/dbraw/zinc/71/06/69/1064710669.db2.gz WGRITEVPWLYBSQ-ACRUOGEOSA-N 0 0 454.652 4.671 20 0 JJADRN O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435342495 1064711537 /nfs/dbraw/zinc/71/15/37/1064711537.db2.gz XODASWIROVQAAZ-KRWDZBQOSA-N 0 0 455.274 4.797 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c1 ZINC001435342694 1064711706 /nfs/dbraw/zinc/71/17/06/1064711706.db2.gz MXGBXDXGJMHBBW-UYAOXDASSA-N 0 0 451.592 4.913 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001359951920 1064711822 /nfs/dbraw/zinc/71/18/22/1064711822.db2.gz JGTSIAYNACDIOU-VXKWHMMOSA-N 0 0 470.658 4.784 20 0 JJADRN C[C@H]1CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2N(C)C1=O ZINC001435343211 1064712128 /nfs/dbraw/zinc/71/21/28/1064712128.db2.gz BVGFTJYRUVOAMU-AZUAARDMSA-N 0 0 451.567 4.678 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3nc4ccccc4cc3Br)cc2)n1 ZINC001435343556 1064712198 /nfs/dbraw/zinc/71/21/98/1064712198.db2.gz FOKXTKJSYGFTHH-UHFFFAOYSA-N 0 0 454.280 4.741 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001435343914 1064712323 /nfs/dbraw/zinc/71/23/23/1064712323.db2.gz YCSWKXGLWVYIBA-HNNXBMFYSA-N 0 0 451.367 4.620 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001359951932 1064712243 /nfs/dbraw/zinc/71/22/43/1064712243.db2.gz JRHIMNJIVWJQQS-HXUWFJFHSA-N 0 0 490.652 4.785 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001359951989 1064712403 /nfs/dbraw/zinc/71/24/03/1064712403.db2.gz KTOYZOURAGVZHU-UHFFFAOYSA-N 0 0 496.624 4.573 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc(Cl)c2F)c2cc(F)ccc2F)c1 ZINC001435343905 1064713007 /nfs/dbraw/zinc/71/30/07/1064713007.db2.gz CDDXJOVFIWBVTB-HXUWFJFHSA-N 0 0 453.869 4.680 20 0 JJADRN C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCOCC1)Oc1cccc(Br)c1 ZINC001435345072 1064713475 /nfs/dbraw/zinc/71/34/75/1064713475.db2.gz GWEFIBZQURXHTK-OAHLLOKOSA-N 0 0 452.776 4.734 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001359952100 1064713627 /nfs/dbraw/zinc/71/36/27/1064713627.db2.gz MVNMBUCVEVEUIO-UHFFFAOYSA-N 0 0 491.627 4.716 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435346084 1064713878 /nfs/dbraw/zinc/71/38/78/1064713878.db2.gz DZSQVTJYAVIHPU-AWEZNQCLSA-N 0 0 454.445 4.927 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCSC2(C)C)cc1 ZINC001359952149 1064714022 /nfs/dbraw/zinc/71/40/22/1064714022.db2.gz NZMWPQMBZXUREF-IFMALSPDSA-N 0 0 499.725 4.994 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]4CCCC[C@@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001359952153 1064714052 /nfs/dbraw/zinc/71/40/52/1064714052.db2.gz NZYMEAFRMBFIBF-FYYLOGMGSA-N 0 0 488.698 4.821 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001359952155 1064714172 /nfs/dbraw/zinc/71/41/72/1064714172.db2.gz NZYMEAFRMBFIBF-GMAHTHKFSA-N 0 0 488.698 4.821 20 0 JJADRN CN1C(=O)COc2ccc(C(=O)NCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc21 ZINC001435348874 1064715468 /nfs/dbraw/zinc/71/54/68/1064715468.db2.gz VGDAFGSHKARGDN-UHFFFAOYSA-N 0 0 456.420 4.783 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001359952497 1064715610 /nfs/dbraw/zinc/71/56/10/1064715610.db2.gz XEINLADAELIJFU-TZIWHRDSSA-N 0 0 489.611 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CC(=O)NC(C)C)cc1 ZINC001359952528 1064715817 /nfs/dbraw/zinc/71/58/17/1064715817.db2.gz XSYVDELQSJAFDU-QFIPXVFZSA-N 0 0 489.611 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@H]43)n2CCCC(=O)N(C)C)cc1 ZINC001359952646 1064716192 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ZINC001359970230 1064745955 /nfs/dbraw/zinc/74/59/55/1064745955.db2.gz KWOOFKGGFDESGZ-GBESFXJTSA-N 0 0 485.620 4.593 20 0 JJADRN CC(C)CCOCCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359970196 1064746034 /nfs/dbraw/zinc/74/60/34/1064746034.db2.gz JRDDEHNXXKYLLF-LVXARBLLSA-N 0 0 456.631 4.505 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001359970936 1064746982 /nfs/dbraw/zinc/74/69/82/1064746982.db2.gz JLDWDPRFOVEDNN-AWEZNQCLSA-N 0 0 450.356 4.735 20 0 JJADRN CC[C@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@@H]1c1ccccc1 ZINC001435417263 1064747018 /nfs/dbraw/zinc/74/70/18/1064747018.db2.gz SHYCZORFEMAIPK-UWJYYQICSA-N 0 0 453.384 4.994 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3OCC(C)C)ccc2c1=O ZINC001435417323 1064747197 /nfs/dbraw/zinc/74/71/97/1064747197.db2.gz ZSTMJDFXPCIWDO-OAQYLSRUSA-N 0 0 451.567 4.674 20 0 JJADRN C[C@H](CNC(=O)CSc1ccc(Br)cc1)Oc1ccccc1Br ZINC001435417921 1064747385 /nfs/dbraw/zinc/74/73/85/1064747385.db2.gz 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C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC001359972398 1064749284 /nfs/dbraw/zinc/74/92/84/1064749284.db2.gz MDFTYEYDQIUWIO-GFCCVEGCSA-N 0 0 458.274 4.529 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc2ccccc2o1 ZINC001435421973 1064749809 /nfs/dbraw/zinc/74/98/09/1064749809.db2.gz FKNSKZKEBFBLHZ-AREMUKBSSA-N 0 0 450.535 4.766 20 0 JJADRN CC[C@H](CC(F)(F)F)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001435421778 1064749942 /nfs/dbraw/zinc/74/99/42/1064749942.db2.gz GQTFNIHFHKTKSI-GFCCVEGCSA-N 0 0 455.258 4.640 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001359973591 1064750939 /nfs/dbraw/zinc/75/09/39/1064750939.db2.gz YFEKMBFEEJDYEW-HKUYNNGSSA-N 0 0 481.657 4.580 20 0 JJADRN C[C@@H](c1ccccc1)c1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC001359974502 1064751361 /nfs/dbraw/zinc/75/13/61/1064751361.db2.gz FQLIMSJPEQBSEX-SFHVURJKSA-N 0 0 453.535 4.981 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)c2)cc1 ZINC001435426425 1064751502 /nfs/dbraw/zinc/75/15/02/1064751502.db2.gz GJRBXZWVGDHMSK-HNNXBMFYSA-N 0 0 458.942 4.886 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)c2)cc1 ZINC001435426426 1064751517 /nfs/dbraw/zinc/75/15/17/1064751517.db2.gz GJRBXZWVGDHMSK-OAHLLOKOSA-N 0 0 458.942 4.886 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNc1ncc(Cl)cc1Cl ZINC001359974268 1064751547 /nfs/dbraw/zinc/75/15/47/1064751547.db2.gz YXUZPHOOCOHXJA-UHFFFAOYSA-N 0 0 463.369 4.580 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cccc3cccnc32)n1Cc1cccnc1OCC(F)F ZINC001359974251 1064751594 /nfs/dbraw/zinc/75/15/94/1064751594.db2.gz YCNNADRLZCAJGN-UHFFFAOYSA-N 0 0 452.509 4.673 20 0 JJADRN CCCCO[C@@H]1C[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(C)C ZINC001435428692 1064751763 /nfs/dbraw/zinc/75/17/63/1064751763.db2.gz LZWMQVJOBVJKRJ-CHWSQXEVSA-N 0 0 453.723 4.797 20 0 JJADRN COc1ccc(CCCCCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)cc1 ZINC001359974971 1064752083 /nfs/dbraw/zinc/75/20/83/1064752083.db2.gz CRTGPUAOFUYACG-UHFFFAOYSA-N 0 0 450.988 4.630 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001359975109 1064752160 /nfs/dbraw/zinc/75/21/60/1064752160.db2.gz GPNMBVGQRYUJSM-CQSZACIVSA-N 0 0 454.493 4.731 20 0 JJADRN CN(C(=O)CCCc1nc(-c2cccs2)no1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001435431215 1064752615 /nfs/dbraw/zinc/75/26/15/1064752615.db2.gz VFEJABZXZZWCKR-OAQYLSRUSA-N 0 0 453.955 4.812 20 0 JJADRN CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001435430776 1064752622 /nfs/dbraw/zinc/75/26/22/1064752622.db2.gz IMLXXZJJIXLLBL-VWLOTQADSA-N 0 0 458.949 4.651 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2cc(Br)nc(Br)c2)cc1 ZINC001359975855 1064752568 /nfs/dbraw/zinc/75/25/68/1064752568.db2.gz WOPGYYHHQJNLDK-UHFFFAOYSA-N 0 0 459.163 4.633 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nccc(C(F)(F)F)n1 ZINC001359976205 1064752967 /nfs/dbraw/zinc/75/29/67/1064752967.db2.gz KQTRSAHVHIPDHE-UHFFFAOYSA-N 0 0 457.504 4.581 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001435432280 1064753589 /nfs/dbraw/zinc/75/35/89/1064753589.db2.gz CFWFFJWGAODVSP-IAQAZVPISA-N 0 0 453.583 4.986 20 0 JJADRN Cc1nn(CC(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1-c1ccccc1 ZINC001435432089 1064753617 /nfs/dbraw/zinc/75/36/17/1064753617.db2.gz WCFUAYGOSZZWIN-UHFFFAOYSA-N 0 0 450.495 4.573 20 0 JJADRN C[C@H]1Sc2ccccc2N(C(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC001435432161 1064753678 /nfs/dbraw/zinc/75/36/78/1064753678.db2.gz BXQMDACELFCRFG-UONOGXRCSA-N 0 0 454.411 4.529 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001435432279 1064753783 /nfs/dbraw/zinc/75/37/83/1064753783.db2.gz CFWFFJWGAODVSP-HYJWCJBQSA-N 0 0 453.583 4.986 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359978190 1064753978 /nfs/dbraw/zinc/75/39/78/1064753978.db2.gz RJVWINXZDCQHIH-GOSISDBHSA-N 0 0 474.650 4.819 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359978191 1064754122 /nfs/dbraw/zinc/75/41/22/1064754122.db2.gz RJVWINXZDCQHIH-SFHVURJKSA-N 0 0 474.650 4.819 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001359978496 1064754640 /nfs/dbraw/zinc/75/46/40/1064754640.db2.gz ZOCDRXPGPSMLAS-ROUUACIJSA-N 0 0 467.605 4.920 20 0 JJADRN CCCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)cc1 ZINC001359978577 1064754708 /nfs/dbraw/zinc/75/47/08/1064754708.db2.gz BYMMFBSSOGQMJF-HSZRJFAPSA-N 0 0 458.624 4.840 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNc1ncc(Cl)cc1Cl ZINC001359979579 1064754986 /nfs/dbraw/zinc/75/49/86/1064754986.db2.gz KKWIYBUBPHMTPK-IBGZPJMESA-N 0 0 477.396 4.697 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001435434207 1064755291 /nfs/dbraw/zinc/75/52/91/1064755291.db2.gz LKXHEMMKVBARDZ-LJQANCHMSA-N 0 0 453.004 4.506 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC001359980195 1064755450 /nfs/dbraw/zinc/75/54/50/1064755450.db2.gz DUMSSKDYJAMCCT-FQEVSTJZSA-N 0 0 454.920 4.870 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)c2ccc(OC3CCCC3)nc2)c2ccc(Cl)cc2)CCO1 ZINC001359980362 1064755656 /nfs/dbraw/zinc/75/56/56/1064755656.db2.gz IYVRRJRWLHPOAX-JOCHJYFZSA-N 0 0 458.002 4.638 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001435434464 1064755557 /nfs/dbraw/zinc/75/55/57/1064755557.db2.gz MGMBGEMDUIZQMQ-PGRDOPGGSA-N 0 0 458.624 4.703 20 0 JJADRN CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359980595 1064755991 /nfs/dbraw/zinc/75/59/91/1064755991.db2.gz FMBMWJYMUSUPFX-OAQYLSRUSA-N 0 0 466.630 4.773 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)C3(c4ccc(C(C)C)cc4)CCCC3)C2=O)c1 ZINC001435436445 1064756043 /nfs/dbraw/zinc/75/60/43/1064756043.db2.gz IEVNEEYAWPBMNR-DEOSSOPVSA-N 0 0 450.579 4.561 20 0 JJADRN CC[C@H](CNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001435436333 1064756071 /nfs/dbraw/zinc/75/60/71/1064756071.db2.gz ODPYDLRKVGUZDI-TZIWHRDSSA-N 0 0 450.501 4.742 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(Br)c1F ZINC001435436272 1064756284 /nfs/dbraw/zinc/75/62/84/1064756284.db2.gz NWHQBMWFDDZJSE-UHFFFAOYSA-N 0 0 451.764 4.865 20 0 JJADRN CC(C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1-n1cccn1 ZINC001359982445 1064757718 /nfs/dbraw/zinc/75/77/18/1064757718.db2.gz DHLYTQSAKSRUTM-UHFFFAOYSA-N 0 0 468.030 4.945 20 0 JJADRN CN1C(=O)CN(C(=O)c2cccnc2Sc2ccc(Br)cc2)c2ccccc21 ZINC001435439306 1064757989 /nfs/dbraw/zinc/75/79/89/1064757989.db2.gz ASTDCPJVBMSKEG-UHFFFAOYSA-N 0 0 454.349 4.619 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC001435440644 1064758625 /nfs/dbraw/zinc/75/86/25/1064758625.db2.gz LYYRWNLVZCPGOJ-LSDHHAIUSA-N 0 0 451.792 4.873 20 0 JJADRN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1csc(I)c1 ZINC001435440206 1064758678 /nfs/dbraw/zinc/75/86/78/1064758678.db2.gz JHQOAYJVBIFBOU-UHFFFAOYSA-N 0 0 455.252 4.672 20 0 JJADRN COC(=O)Cc1ccccc1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001435440218 1064758701 /nfs/dbraw/zinc/75/87/01/1064758701.db2.gz GSRXEGDSGFWZJK-UHFFFAOYSA-N 0 0 451.367 4.531 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCc3c(F)c(F)cc(F)c3F)[nH]c(=O)c2c1C ZINC001435440305 1064758783 /nfs/dbraw/zinc/75/87/83/1064758783.db2.gz VMSAGIPOPMEFCK-SECBINFHSA-N 0 0 459.490 4.508 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001435442238 1064759125 /nfs/dbraw/zinc/75/91/25/1064759125.db2.gz SPLXGXRLGKSVPQ-ATIYNZHBSA-N 0 0 454.567 4.756 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2sccc2c1)C1CCCC1 ZINC001359982998 1064759316 /nfs/dbraw/zinc/75/93/16/1064759316.db2.gz JPKSXOZURXWSQR-QGZVFWFLSA-N 0 0 475.684 4.556 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359983126 1064759962 /nfs/dbraw/zinc/75/99/62/1064759962.db2.gz SDUGDURERGWKKJ-CALCHBBNSA-N 0 0 476.691 4.943 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001435444220 1064760136 /nfs/dbraw/zinc/76/01/36/1064760136.db2.gz UTFQFLDSSUUCHE-LSDHHAIUSA-N 0 0 454.995 4.820 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001435443843 1064760238 /nfs/dbraw/zinc/76/02/38/1064760238.db2.gz PLHWDTRLTRGGBG-ZRGHVXQMSA-N 0 0 458.986 4.717 20 0 JJADRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001435444564 1064760810 /nfs/dbraw/zinc/76/08/10/1064760810.db2.gz BMIILGVRDYYHCH-ZDUSSCGKSA-N 0 0 458.923 4.831 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)COCCO1)C1CCCC1 ZINC001359983561 1064760732 /nfs/dbraw/zinc/76/07/32/1064760732.db2.gz SGKCQTQTPXOFJJ-UQBPGWFLSA-N 0 0 460.594 4.768 20 0 JJADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001435444584 1064760988 /nfs/dbraw/zinc/76/09/88/1064760988.db2.gz BXLZFTZJKFMOLC-MRXNPFEDSA-N 0 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CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCc1ccco1)C(C)C ZINC001359984847 1064762670 /nfs/dbraw/zinc/76/26/70/1064762670.db2.gz CWMTUTSXBDVELB-GOSISDBHSA-N 0 0 469.655 4.912 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)NC(C)C)C(C)C ZINC001359985031 1064763398 /nfs/dbraw/zinc/76/33/98/1064763398.db2.gz GTZMXVMBKSBTQS-UHFFFAOYSA-N 0 0 468.415 4.632 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC001435449231 1064763465 /nfs/dbraw/zinc/76/34/65/1064763465.db2.gz VLBLQMZYVLKSKY-IBGZPJMESA-N 0 0 455.769 4.678 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C(N)=O)c1)C1CCCC1 ZINC001359985809 1064765091 /nfs/dbraw/zinc/76/50/91/1064765091.db2.gz QWVOJQZREQPURN-UHFFFAOYSA-N 0 0 499.457 4.782 20 0 JJADRN CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435453927 1064765696 /nfs/dbraw/zinc/76/56/96/1064765696.db2.gz BDVPMOHCBFLXPF-NHCUHLMSSA-N 0 0 459.428 4.784 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 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CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(Cl)s1)C(C)C ZINC001359992805 1064775120 /nfs/dbraw/zinc/77/51/20/1064775120.db2.gz DNRRIIWXPXDMIV-UHFFFAOYSA-N 0 0 452.049 4.904 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)n1 ZINC001435468214 1064775307 /nfs/dbraw/zinc/77/53/07/1064775307.db2.gz QBQSKTXDDNFWJJ-UHFFFAOYSA-N 0 0 454.577 4.659 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2cccc(Br)c2)c1 ZINC001435468049 1064775488 /nfs/dbraw/zinc/77/54/88/1064775488.db2.gz WGIAPYYWUZEDNQ-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc(C2CC2)n1CCNC(=O)C1CC1 ZINC001359992960 1064775583 /nfs/dbraw/zinc/77/55/83/1064775583.db2.gz IVSZFRRGMZINNN-UHFFFAOYSA-N 0 0 494.865 4.760 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1nccs1)C(C)C ZINC001359992973 1064775664 /nfs/dbraw/zinc/77/56/64/1064775664.db2.gz JFXZEPZVXJSKHD-SFHVURJKSA-N 0 0 462.664 4.920 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H]1C ZINC001359993086 1064776239 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Cc1ccc(CNC(=O)CSc2cccc(Br)c2)c(OC[C@@H]2CCOC2)c1 ZINC001435476970 1064780082 /nfs/dbraw/zinc/78/00/82/1064780082.db2.gz LNKKJRFATGZSMC-MRXNPFEDSA-N 0 0 450.398 4.581 20 0 JJADRN COc1ccc(F)c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001435476750 1064780130 /nfs/dbraw/zinc/78/01/30/1064780130.db2.gz ZHFVHNFKWHJRRV-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)CC1 ZINC001435476679 1064780145 /nfs/dbraw/zinc/78/01/45/1064780145.db2.gz CEUQJLDHAUYEQP-UHFFFAOYSA-N 0 0 459.594 4.653 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1 ZINC001435477118 1064780205 /nfs/dbraw/zinc/78/02/05/1064780205.db2.gz IMMZGTHVNGDMCD-UHFFFAOYSA-N 0 0 454.530 4.994 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)C1 ZINC001435476555 1064780224 /nfs/dbraw/zinc/78/02/24/1064780224.db2.gz AACPIXHZRALACC-QFIPXVFZSA-N 0 0 459.550 4.545 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCN(c2nccs2)CC1 ZINC001359995581 1064781023 /nfs/dbraw/zinc/78/10/23/1064781023.db2.gz ZOTFFCHZPOGDRB-UHFFFAOYSA-N 0 0 479.423 4.676 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1 ZINC001435478513 1064781138 /nfs/dbraw/zinc/78/11/38/1064781138.db2.gz DROSYVCKQOWUDW-GOSISDBHSA-N 0 0 454.596 4.535 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c1 ZINC001435478740 1064781233 /nfs/dbraw/zinc/78/12/33/1064781233.db2.gz NNAAQNJWXHCXFF-HXUWFJFHSA-N 0 0 450.604 4.804 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Oc3cccc(F)c3)cn2)c(C)c1 ZINC001359996363 1064781563 /nfs/dbraw/zinc/78/15/63/1064781563.db2.gz RFTNDOFLTRDCIM-JOCHJYFZSA-N 0 0 451.523 4.784 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001359996270 1064781689 /nfs/dbraw/zinc/78/16/89/1064781689.db2.gz PQBBPJFNFNBPHB-BEFAXECRSA-N 0 0 452.498 4.630 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)c(C)c1 ZINC001359996763 1064782137 /nfs/dbraw/zinc/78/21/37/1064782137.db2.gz YKDSDBLSWNOFCH-FQEVSTJZSA-N 0 0 452.967 4.568 20 0 JJADRN C[C@@H](c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)N1CCOCC1 ZINC001359997113 1064782248 /nfs/dbraw/zinc/78/22/48/1064782248.db2.gz NDIJYGMVBIEDDU-CVDCTZTESA-N 0 0 459.631 4.882 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001359996807 1064782362 /nfs/dbraw/zinc/78/23/62/1064782362.db2.gz CYGGCVQIQNQOAG-UEVCKROQSA-N 0 0 459.631 4.882 20 0 JJADRN C[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483045 1064783241 /nfs/dbraw/zinc/78/32/41/1064783241.db2.gz LCFFGARMVSVOTE-GFCCVEGCSA-N 0 0 459.369 4.642 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2cccc(F)c2OC(F)(F)F)C1)c1cc2ccccc2o1 ZINC001435482502 1064783420 /nfs/dbraw/zinc/78/34/20/1064783420.db2.gz AVDPRCMRKBNQFJ-AWEZNQCLSA-N 0 0 450.388 4.505 20 0 JJADRN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001359998364 1064784434 /nfs/dbraw/zinc/78/44/34/1064784434.db2.gz GTXKRXLZTRVWLK-KRWDZBQOSA-N 0 0 455.432 4.889 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCC2 ZINC001435486168 1064784734 /nfs/dbraw/zinc/78/47/34/1064784734.db2.gz XFYXJYIXDIBRDK-ZDBRZOJVSA-N 0 0 454.567 4.698 20 0 JJADRN CO[C@@H](CNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC001435485511 1064784782 /nfs/dbraw/zinc/78/47/82/1064784782.db2.gz ULJKJDNMCIDMLT-QHCPKHFHSA-N 0 0 450.966 4.830 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3F)c(C)c2c1 ZINC001359998635 1064784911 /nfs/dbraw/zinc/78/49/11/1064784911.db2.gz JTZYAICUGROZGY-HXUWFJFHSA-N 0 0 454.523 4.556 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)nn1-c1ccccc1Cl ZINC001359999315 1064785381 /nfs/dbraw/zinc/78/53/81/1064785381.db2.gz SUNSLJSQCXPESI-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001359999186 1064785436 /nfs/dbraw/zinc/78/54/36/1064785436.db2.gz QYJXPVJEYXRGBN-IBGZPJMESA-N 0 0 458.008 4.855 20 0 JJADRN CC(C)n1nc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c2ccccc2c1=O ZINC001359999591 1064785887 /nfs/dbraw/zinc/78/58/87/1064785887.db2.gz UTZGYSUSCXOZDZ-UHFFFAOYSA-N 0 0 452.942 4.509 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2ccnn2CC2CC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001435487306 1064785871 /nfs/dbraw/zinc/78/58/71/1064785871.db2.gz IIISMQGQOHPUOI-UHFFFAOYSA-N 0 0 458.440 4.582 20 0 JJADRN Cc1nc(C)n(-c2ccccc2NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC001435487984 1064785976 /nfs/dbraw/zinc/78/59/76/1064785976.db2.gz QMWHRDHJUONANQ-UHFFFAOYSA-N 0 0 453.546 4.509 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001359999669 1064786060 /nfs/dbraw/zinc/78/60/60/1064786060.db2.gz WOYWNZNQZMKBGI-UHFFFAOYSA-N 0 0 459.543 4.837 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)c1ccc(I)cc1)CCC2 ZINC001435488323 1064786435 /nfs/dbraw/zinc/78/64/35/1064786435.db2.gz MAHQFBKOCFKNCV-WBMJQRKESA-N 0 0 454.377 4.950 20 0 JJADRN COc1cc(C(=O)Nc2ccnn2CC2CC2)ccc1OCc1ccc(Br)cc1 ZINC001435489152 1064786448 /nfs/dbraw/zinc/78/64/48/1064786448.db2.gz UHEKFWXDLKXUMX-UHFFFAOYSA-N 0 0 456.340 4.896 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001435488874 1064786503 /nfs/dbraw/zinc/78/65/03/1064786503.db2.gz ZSAHNJCKDZUXEM-FQEVSTJZSA-N 0 0 458.356 4.571 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)c(Oc2ccccc2)c1 ZINC001435489778 1064786969 /nfs/dbraw/zinc/78/69/69/1064786969.db2.gz UDMDQKHQPQSCKW-UHFFFAOYSA-N 0 0 450.560 4.566 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCC2 ZINC001435489541 1064787056 /nfs/dbraw/zinc/78/70/56/1064787056.db2.gz ZFOYCSJPRSTUNX-SFHVURJKSA-N 0 0 459.413 4.862 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1Cc2ccccc2C1 ZINC001360001374 1064787459 /nfs/dbraw/zinc/78/74/59/1064787459.db2.gz LPOSIMVEDOJELJ-UHFFFAOYSA-N 0 0 453.631 4.652 20 0 JJADRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001435490931 1064787587 /nfs/dbraw/zinc/78/75/87/1064787587.db2.gz HQBISMINNMCNTK-HSZRJFAPSA-N 0 0 458.949 4.848 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2(Cc3ccccc3Br)CC2)cc1 ZINC001360001817 1064788202 /nfs/dbraw/zinc/78/82/02/1064788202.db2.gz CMIFFWKSXHIKQG-IBGZPJMESA-N 0 0 459.409 4.620 20 0 JJADRN O=C(NCc1ccc2c(c1)COC2)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001435495186 1064789058 /nfs/dbraw/zinc/78/90/58/1064789058.db2.gz UDWNCJBSEHXLLT-UHFFFAOYSA-N 0 0 451.320 4.662 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)c(Br)c(Cl)c2)c1 ZINC001360002941 1064789192 /nfs/dbraw/zinc/78/91/92/1064789192.db2.gz PUTHXAYDNZPCLQ-INIZCTEOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C(=O)OC(C)(C)C ZINC001435496168 1064789590 /nfs/dbraw/zinc/78/95/90/1064789590.db2.gz XIFPEXAQIXXPLO-MRXNPFEDSA-N 0 0 450.333 4.584 20 0 JJADRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001435495748 1064789625 /nfs/dbraw/zinc/78/96/25/1064789625.db2.gz TVXTXPNDRCWOHG-KRWDZBQOSA-N 0 0 450.585 4.631 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3cccc(Cl)c3)s2)cc1 ZINC001360003921 1064789528 /nfs/dbraw/zinc/78/95/28/1064789528.db2.gz YPNCOPMMEXKTCF-KRWDZBQOSA-N 0 0 459.980 4.626 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)NCC4CCC(C(C)C)CC4)cnc32)c(OC)c1 ZINC001435496856 1064789940 /nfs/dbraw/zinc/78/99/40/1064789940.db2.gz OPCHBFVNADUJMR-UHFFFAOYSA-N 0 0 450.583 4.689 20 0 JJADRN COc1ncc(/C=C\C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)cn1 ZINC001435496741 1064790169 /nfs/dbraw/zinc/79/01/69/1064790169.db2.gz GZZXXBDYBYPIRT-JLVNDZCYSA-N 0 0 459.369 4.570 20 0 JJADRN CC(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360004689 1064791359 /nfs/dbraw/zinc/79/13/59/1064791359.db2.gz QNMNSQOGWRIUAC-IBGZPJMESA-N 0 0 475.609 4.736 20 0 JJADRN CC(C)(C)CCCCNC(=O)Cc1cc(Br)cc(I)c1 ZINC001360005698 1064792342 /nfs/dbraw/zinc/79/23/42/1064792342.db2.gz YGUHVIMUXFZCSW-UHFFFAOYSA-N 0 0 452.174 4.929 20 0 JJADRN Cc1cccn2cc(CC(=O)N[C@H](c3cccc(F)c3)c3cccc(Br)c3)nc12 ZINC001435502244 1064792078 /nfs/dbraw/zinc/79/20/78/1064792078.db2.gz JFFVIPZVHFJSNU-QFIPXVFZSA-N 0 0 452.327 4.993 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360005875 1064792253 /nfs/dbraw/zinc/79/22/53/1064792253.db2.gz FMGTWHRPKOBEFP-HNNXBMFYSA-N 0 0 461.985 4.953 20 0 JJADRN C[C@@H](NC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435503342 1064792795 /nfs/dbraw/zinc/79/27/95/1064792795.db2.gz LMWAJLRAAVCHQT-WXTAPIANSA-N 0 0 454.542 4.841 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1ncn(-c2ccccc2)n1 ZINC001435503097 1064792883 /nfs/dbraw/zinc/79/28/83/1064792883.db2.gz MEKLDDXZDIJGHG-FQEVSTJZSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(-c3cccc(Cl)c3F)no2)cc1C ZINC001360006044 1064793012 /nfs/dbraw/zinc/79/30/12/1064793012.db2.gz BCGSLBVOBIYPJI-GOSISDBHSA-N 0 0 459.930 4.905 20 0 JJADRN Cn1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c(Br)c1C(F)(F)F ZINC001435504138 1064793258 /nfs/dbraw/zinc/79/32/58/1064793258.db2.gz WVSFYNKNOICYPU-LBPRGKRZSA-N 0 0 452.221 4.847 20 0 JJADRN COc1cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc(Br)c1OC ZINC001435504242 1064793476 /nfs/dbraw/zinc/79/34/76/1064793476.db2.gz RHZYUSGCWLZVOY-UHFFFAOYSA-N 0 0 453.676 4.527 20 0 JJADRN CN(Cc1cc(Cl)cn1C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435505318 1064793690 /nfs/dbraw/zinc/79/36/90/1064793690.db2.gz YUVDKJHURWCCCH-QGZVFWFLSA-N 0 0 459.896 4.922 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001360006887 1064793994 /nfs/dbraw/zinc/79/39/94/1064793994.db2.gz YSFRELGXRKXAAV-BAGYTPMASA-N 0 0 469.630 4.973 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)cc2)no1 ZINC001360007319 1064794588 /nfs/dbraw/zinc/79/45/88/1064794588.db2.gz SMMSPAYTDCURFB-VWLOTQADSA-N 0 0 456.587 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC001435507073 1064794721 /nfs/dbraw/zinc/79/47/21/1064794721.db2.gz JBJDSGJRECUAKJ-OAQYLSRUSA-N 0 0 451.523 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1nc(Br)c2ccccn21 ZINC001435507098 1064794750 /nfs/dbraw/zinc/79/47/50/1064794750.db2.gz JJBMDRDXUTUPQF-UHFFFAOYSA-N 0 0 457.328 4.647 20 0 JJADRN CC(C)CN1C[C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC001360007269 1064794852 /nfs/dbraw/zinc/79/48/52/1064794852.db2.gz BGOKMLAFHMNXIA-HXUWFJFHSA-N 0 0 492.590 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1CC1(C)CCC1 ZINC001545891499 1064795148 /nfs/dbraw/zinc/79/51/48/1064795148.db2.gz BODLPPBQDYZZOX-LJQANCHMSA-N 0 0 469.605 4.625 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001435507921 1064795198 /nfs/dbraw/zinc/79/51/98/1064795198.db2.gz DVMJNGZUMPXKNN-AZGAKELHSA-N 0 0 456.542 4.537 20 0 JJADRN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Cn1c2ccccc2nc1C1CCCCC1)C1CC1 ZINC001360007549 1064795277 /nfs/dbraw/zinc/79/52/77/1064795277.db2.gz VNTUXACVUDUWIP-SANMLTNESA-N 0 0 454.615 4.894 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)ccc2Br)cc1C 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WKPZKZYDOCBTRY-MHZLTWQESA-N 0 0 452.558 4.543 20 0 JJADRN CC(C)COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC001360050623 1064876585 /nfs/dbraw/zinc/87/65/85/1064876585.db2.gz XYBKPNVHZAGSJR-JTHBVZDNSA-N 0 0 456.631 4.507 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](C)C2)c1 ZINC001360050652 1064876749 /nfs/dbraw/zinc/87/67/49/1064876749.db2.gz YTPNTQLFPXBENM-FQEVSTJZSA-N 0 0 462.598 4.635 20 0 JJADRN O=C(Nc1ccc2c(cnn2C(F)F)c1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001435615172 1064877434 /nfs/dbraw/zinc/87/74/34/1064877434.db2.gz KPOVLHLGGCDZKP-UHFFFAOYSA-N 0 0 452.284 4.753 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC001360051446 1064877890 /nfs/dbraw/zinc/87/78/90/1064877890.db2.gz CLKLJUIWWSPJTB-UHFFFAOYSA-N 0 0 496.700 4.724 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c1 ZINC001435616410 1064878440 /nfs/dbraw/zinc/87/84/40/1064878440.db2.gz CCGQVZUTOUUCAU-HXUWFJFHSA-N 0 0 456.530 4.863 20 0 JJADRN 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ZINC001435669523 1064923092 /nfs/dbraw/zinc/92/30/92/1064923092.db2.gz PEHHPRUIBHDJQB-QZTJIDSGSA-N 0 0 453.332 4.964 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Br)c2F)cc1C(F)F ZINC001435670901 1064923583 /nfs/dbraw/zinc/92/35/83/1064923583.db2.gz HNJQFWVDRPQDTJ-UHFFFAOYSA-N 0 0 456.667 4.835 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001360076164 1064924314 /nfs/dbraw/zinc/92/43/14/1064924314.db2.gz HKYQWIRJXQCLCL-UZUQRXQVSA-N 0 0 483.053 4.901 20 0 JJADRN CC(C)CSCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001360076205 1064924366 /nfs/dbraw/zinc/92/43/66/1064924366.db2.gz JDKPBSYXBHHFBY-MZNJEOGPSA-N 0 0 475.728 4.612 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001360076162 1064924483 /nfs/dbraw/zinc/92/44/83/1064924483.db2.gz HKYQWIRJXQCLCL-HXOBKFHXSA-N 0 0 483.053 4.901 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)c(Br)c1 ZINC001435671701 1064924506 /nfs/dbraw/zinc/92/45/06/1064924506.db2.gz CGAMAFPXSMRCJG-GFCCVEGCSA-N 0 0 450.333 4.691 20 0 JJADRN CC(C)CSCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001360076341 1064925003 /nfs/dbraw/zinc/92/50/03/1064925003.db2.gz MJCPAKJGQKRNDU-GOSISDBHSA-N 0 0 485.629 5.000 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001435672212 1064925105 /nfs/dbraw/zinc/92/51/05/1064925105.db2.gz HKLZOZSMKUFJPC-NRFANRHFSA-N 0 0 454.489 4.982 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 ZINC001360076419 1064925697 /nfs/dbraw/zinc/92/56/97/1064925697.db2.gz PAGXEDXQDWOUAX-HNNXBMFYSA-N 0 0 471.440 4.851 20 0 JJADRN CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001360076448 1064925754 /nfs/dbraw/zinc/92/57/54/1064925754.db2.gz QDGISEIWMVLVAW-INIZCTEOSA-N 0 0 460.598 4.860 20 0 JJADRN CC(C)CSCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001360076578 1064926253 /nfs/dbraw/zinc/92/62/53/1064926253.db2.gz BJGWKQMZFITAAC-MOPGFXCFSA-N 0 0 468.671 4.596 20 0 JJADRN CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001360076449 1064926295 /nfs/dbraw/zinc/92/62/95/1064926295.db2.gz QDGISEIWMVLVAW-MRXNPFEDSA-N 0 0 460.598 4.860 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c1 ZINC001435673257 1064926521 /nfs/dbraw/zinc/92/65/21/1064926521.db2.gz NDKKGTFHXNIGED-JLCFBVMHSA-N 0 0 455.473 4.710 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360076654 1064926999 /nfs/dbraw/zinc/92/69/99/1064926999.db2.gz BXNAZBOPKADOFX-QHAWAJNXSA-N 0 0 495.734 4.691 20 0 JJADRN CC(C)CSCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001360076580 1064927098 /nfs/dbraw/zinc/92/70/98/1064927098.db2.gz BJGWKQMZFITAAC-RBUKOAKNSA-N 0 0 468.671 4.596 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001435674675 1064927072 /nfs/dbraw/zinc/92/70/72/1064927072.db2.gz RXOARLZWEOSJRX-IMDCKVJKSA-N 0 0 450.554 4.555 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc12)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001435674177 1064927136 /nfs/dbraw/zinc/92/71/36/1064927136.db2.gz MZQIEYWNCWHQOR-UHFFFAOYSA-N 0 0 451.276 4.991 20 0 JJADRN CC(C)CSCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001360076738 1064927803 /nfs/dbraw/zinc/92/78/03/1064927803.db2.gz UMRBYMKGPAPBLP-QZTJIDSGSA-N 0 0 480.078 4.518 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)ccc21 ZINC001435675010 1064928052 /nfs/dbraw/zinc/92/80/52/1064928052.db2.gz JYYSEVQVJCQFBH-QHCPKHFHSA-N 0 0 451.567 4.655 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001360076782 1064928348 /nfs/dbraw/zinc/92/83/48/1064928348.db2.gz USZYOCDVBFAZMW-UHFFFAOYSA-N 0 0 468.646 4.975 20 0 JJADRN CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360076841 1064928459 /nfs/dbraw/zinc/92/84/59/1064928459.db2.gz WOHLZNAKDVQBHQ-YLJYHZDGSA-N 0 0 496.519 4.831 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC[C@H](c4ccc(C)o4)N3C(=O)OCC)ccc21 ZINC001435675925 1064928479 /nfs/dbraw/zinc/92/84/79/1064928479.db2.gz PQEHLAXLAOYLDL-NHCUHLMSSA-N 0 0 453.539 4.578 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001360077014 1064929071 /nfs/dbraw/zinc/92/90/71/1064929071.db2.gz IMAWSPJTILHLQL-KRWDZBQOSA-N 0 0 450.599 4.792 20 0 JJADRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001435676830 1064929151 /nfs/dbraw/zinc/92/91/51/1064929151.db2.gz NFGMMGHGEBDRES-HXUWFJFHSA-N 0 0 451.947 4.839 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001360077015 1064929164 /nfs/dbraw/zinc/92/91/64/1064929164.db2.gz IMAWSPJTILHLQL-QGZVFWFLSA-N 0 0 450.599 4.792 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)COCCOc1ccccc1 ZINC001435676521 1064929229 /nfs/dbraw/zinc/92/92/29/1064929229.db2.gz NYBQZXHTEFIZTK-NRFANRHFSA-N 0 0 450.501 4.618 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001360077067 1064929545 /nfs/dbraw/zinc/92/95/45/1064929545.db2.gz JBIAOUODFQODOA-QGZVFWFLSA-N 0 0 499.512 4.590 20 0 JJADRN Cc1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001435678767 1064929739 /nfs/dbraw/zinc/92/97/39/1064929739.db2.gz CTLRZURVOBTWLJ-IQGLISFBSA-N 0 0 454.636 4.777 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001360077104 1064929752 /nfs/dbraw/zinc/92/97/52/1064929752.db2.gz JWNGMJVGOHXABE-LJQANCHMSA-N 0 0 495.093 4.790 20 0 JJADRN CC(C)[C@H]1C[C@@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC001435678641 1064929842 /nfs/dbraw/zinc/92/98/42/1064929842.db2.gz BACVLCHRILGPOU-JSXRDJHFSA-N 0 0 451.007 4.610 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001360077178 1064930328 /nfs/dbraw/zinc/93/03/28/1064930328.db2.gz KONGBMULNCWKMP-BHDDXSALSA-N 0 0 450.693 4.594 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360077257 1064930387 /nfs/dbraw/zinc/93/03/87/1064930387.db2.gz MCTQJSPKHBBRGT-VXKWHMMOSA-N 0 0 474.671 4.821 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)[C@H]1CCc2c1cccc2Cl ZINC001435680165 1064930393 /nfs/dbraw/zinc/93/03/93/1064930393.db2.gz BOWXXWMPRKAPDE-AZUAARDMSA-N 0 0 450.888 4.696 20 0 JJADRN CC(C)CSCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C ZINC001360077436 1064930763 /nfs/dbraw/zinc/93/07/63/1064930763.db2.gz QEJJQHTVRBKSEQ-LJQANCHMSA-N 0 0 483.723 4.848 20 0 JJADRN CC(C)CSCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360077258 1064930984 /nfs/dbraw/zinc/93/09/84/1064930984.db2.gz MCTQJSPKHBBRGT-YADHBBJMSA-N 0 0 474.671 4.821 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435682211 1064931523 /nfs/dbraw/zinc/93/15/23/1064931523.db2.gz WNXQGFZYIBLEDU-VXKWHMMOSA-N 0 0 455.436 4.508 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1C[C@@]1(C)CCCS1 ZINC001545892627 1064931597 /nfs/dbraw/zinc/93/15/97/1064931597.db2.gz XLEMENIQSFACCM-RUZDIDTESA-N 0 0 453.656 4.776 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435682209 1064931696 /nfs/dbraw/zinc/93/16/96/1064931696.db2.gz WNXQGFZYIBLEDU-FCHUYYIVSA-N 0 0 455.436 4.508 20 0 JJADRN CC(C)CSCCCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360079081 1064932735 /nfs/dbraw/zinc/93/27/35/1064932735.db2.gz CTGCQEPQKVRTOV-LJQANCHMSA-N 0 0 451.681 4.503 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)CC2)cc1 ZINC001360078891 1064932807 /nfs/dbraw/zinc/93/28/07/1064932807.db2.gz KAWAWXMUVZGPFY-HSZRJFAPSA-N 0 0 457.412 4.964 20 0 JJADRN CC(C)CSCCCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360079061 1064932893 /nfs/dbraw/zinc/93/28/93/1064932893.db2.gz CFAGQUYBHZHGLV-UHFFFAOYSA-N 0 0 478.106 4.872 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001435686296 1064933257 /nfs/dbraw/zinc/93/32/57/1064933257.db2.gz FXUANRYLEDCENW-USCONSEESA-N 0 0 453.583 4.987 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)c1 ZINC001435686830 1064933291 /nfs/dbraw/zinc/93/32/91/1064933291.db2.gz YLFBWAXRJCLNMP-UHFFFAOYSA-N 0 0 456.340 4.520 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001435686578 1064933375 /nfs/dbraw/zinc/93/33/75/1064933375.db2.gz JJAUWFJZGVQKBS-UHFFFAOYSA-N 0 0 451.477 4.970 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001360079425 1064933926 /nfs/dbraw/zinc/93/39/26/1064933926.db2.gz IQCACFQRWHBOIB-VNTMZGSJSA-N 0 0 463.692 4.817 20 0 JJADRN CC[C@@H](C)c1ccc(COC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)cc1 ZINC001435687987 1064934566 /nfs/dbraw/zinc/93/45/66/1064934566.db2.gz WWLMBEPZIFNHAC-MRXNPFEDSA-N 0 0 457.368 4.777 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccc(OC)c(Br)c1 ZINC001435688927 1064934602 /nfs/dbraw/zinc/93/46/02/1064934602.db2.gz XIMWZLWNNSXGIN-SKHCZCESSA-N 0 0 458.761 4.606 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001360079512 1064934674 /nfs/dbraw/zinc/93/46/74/1064934674.db2.gz KDNIQXCLVHMNOR-HXUWFJFHSA-N 0 0 480.625 4.675 20 0 JJADRN CC(C)c1nc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)nn1-c1c(Cl)cccc1Cl ZINC001435689750 1064935344 /nfs/dbraw/zinc/93/53/44/1064935344.db2.gz SBFZGKMAUPDZRK-CQSZACIVSA-N 0 0 453.370 4.503 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001360079988 1064935839 /nfs/dbraw/zinc/93/58/39/1064935839.db2.gz SAMZJDXQVVBVRV-DFIYOIEZSA-N 0 0 476.662 4.560 20 0 JJADRN COc1cc(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)cc(OC)c1Br ZINC001435691418 1064937206 /nfs/dbraw/zinc/93/72/06/1064937206.db2.gz QPZUYPCHCOLQNM-UHFFFAOYSA-N 0 0 454.390 4.836 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435691074 1064937295 /nfs/dbraw/zinc/93/72/95/1064937295.db2.gz IMGQCVBJRVBIRI-ORAYPTAESA-N 0 0 456.340 4.883 20 0 JJADRN O=C(OCc1nc(C2CC2)cs1)c1cccn1-c1cccc(I)c1 ZINC001435691532 1064937775 /nfs/dbraw/zinc/93/77/75/1064937775.db2.gz LEJHQWWADZCJDN-UHFFFAOYSA-N 0 0 450.301 4.773 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001435691456 1064937895 /nfs/dbraw/zinc/93/78/95/1064937895.db2.gz KRGJZPOAQJSVCR-KSFYIVLOSA-N 0 0 455.352 4.929 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360080386 1064937792 /nfs/dbraw/zinc/93/77/92/1064937792.db2.gz ZTEPSZFDTMSKPY-SFHVURJKSA-N 0 0 461.642 4.863 20 0 JJADRN CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360080390 1064937908 /nfs/dbraw/zinc/93/79/08/1064937908.db2.gz GOZUVZXITPCAOP-MRXNPFEDSA-N 0 0 490.567 4.840 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360080448 1064938325 /nfs/dbraw/zinc/93/83/25/1064938325.db2.gz ICGBFLDJOLPRFW-NNMXDRDESA-N 0 0 462.635 4.952 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC001435691845 1064938517 /nfs/dbraw/zinc/93/85/17/1064938517.db2.gz NRVFVXXQKBKCNI-VFZGTOFNSA-N 0 0 458.328 4.841 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1cc(Br)ccc1C ZINC001435692542 1064938918 /nfs/dbraw/zinc/93/89/18/1064938918.db2.gz SDUOUBOJWIZMAH-DJJJIMSYSA-N 0 0 455.190 4.955 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC(C)CC1 ZINC001360080689 1064939046 /nfs/dbraw/zinc/93/90/46/1064939046.db2.gz OIQQYOROPCPYEK-UHFFFAOYSA-N 0 0 464.701 4.753 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001360080838 1064939450 /nfs/dbraw/zinc/93/94/50/1064939450.db2.gz SSECDKMQJYLMCO-IXFSTUDKSA-N 0 0 465.063 4.760 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001360081083 1064940340 /nfs/dbraw/zinc/94/03/40/1064940340.db2.gz ZWLGSLJEYUNGCT-QPPBQGQZSA-N 0 0 485.742 4.789 20 0 JJADRN O=C(Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001360081936 1064941509 /nfs/dbraw/zinc/94/15/09/1064941509.db2.gz VCVZFNBLKXOIEW-QGZVFWFLSA-N 0 0 450.947 4.949 20 0 JJADRN CC1(N(Cc2ccc3c(c2)OCO3)C(=O)CCCNC(=O)c2ccc(Cl)cc2)CCCC1 ZINC001360082315 1064941604 /nfs/dbraw/zinc/94/16/04/1064941604.db2.gz WCKOOPIYPBTTFZ-UHFFFAOYSA-N 0 0 456.970 4.940 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cc2)c1 ZINC001435695447 1064942073 /nfs/dbraw/zinc/94/20/73/1064942073.db2.gz TWJSGNQQIREAGB-RUZDIDTESA-N 0 0 459.542 4.814 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360082855 1064942908 /nfs/dbraw/zinc/94/29/08/1064942908.db2.gz OEABEVUCZYTDHU-UHFFFAOYSA-N 0 0 462.664 4.546 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)COc1ccc(Oc3ccccn3)cc1)CC2 ZINC001435697219 1064943552 /nfs/dbraw/zinc/94/35/52/1064943552.db2.gz RAZHTNDYNGHFMC-UHFFFAOYSA-N 0 0 453.336 4.909 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)no2)c1 ZINC001435698103 1064943931 /nfs/dbraw/zinc/94/39/31/1064943931.db2.gz ZOGAGTAIVBOSLB-UHFFFAOYSA-N 0 0 455.461 4.977 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC001435697389 1064944044 /nfs/dbraw/zinc/94/40/44/1064944044.db2.gz UQBPPRQVEBKLJZ-CYBMUJFWSA-N 0 0 453.174 4.872 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc2c(cncc2Br)s1 ZINC001435698518 1064944504 /nfs/dbraw/zinc/94/45/04/1064944504.db2.gz XHEBSHCICMTZOC-JTQLQIEISA-N 0 0 454.752 4.860 20 0 JJADRN Cc1cc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)nn1-c1cccc(F)c1 ZINC001435698838 1064945106 /nfs/dbraw/zinc/94/51/06/1064945106.db2.gz BXPBQTVMIIGVFE-NRFANRHFSA-N 0 0 457.347 4.858 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001360083397 1064945392 /nfs/dbraw/zinc/94/53/92/1064945392.db2.gz FWOXWIPNIZHINW-QFIPXVFZSA-N 0 0 472.655 4.714 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)nn1-c1cc(C)cc(C)c1 ZINC001435699584 1064945802 /nfs/dbraw/zinc/94/58/02/1064945802.db2.gz BMJSFNGKXJPSMQ-JPYJTQIMSA-N 0 0 454.933 4.748 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001435699477 1064945814 /nfs/dbraw/zinc/94/58/14/1064945814.db2.gz MBORZHKGJNVEMO-UYAOXDASSA-N 0 0 466.557 4.860 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001435699988 1064946087 /nfs/dbraw/zinc/94/60/87/1064946087.db2.gz DOKOPDMNIAYECI-FATZIPQQSA-N 0 0 457.933 4.668 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001435700448 1064946134 /nfs/dbraw/zinc/94/61/34/1064946134.db2.gz DOKOPDMNIAYECI-QKFKETGDSA-N 0 0 457.933 4.668 20 0 JJADRN CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC001435700026 1064946183 /nfs/dbraw/zinc/94/61/83/1064946183.db2.gz APHPPZQJBWEOBP-UHFFFAOYSA-N 0 0 453.995 4.985 20 0 JJADRN C[C@H](C(=O)N(Cc1ccccc1F)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001360084628 1064946646 /nfs/dbraw/zinc/94/66/46/1064946646.db2.gz FYYGAGCWHKYAAK-KRWDZBQOSA-N 0 0 458.530 4.552 20 0 JJADRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001360084358 1064946663 /nfs/dbraw/zinc/94/66/63/1064946663.db2.gz LOQSLLSFMDMUNU-NRFANRHFSA-N 0 0 452.414 4.859 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435701236 1064946844 /nfs/dbraw/zinc/94/68/44/1064946844.db2.gz QHDSBMGOTSQQMQ-DOXZYTNZSA-N 0 0 458.430 4.874 20 0 JJADRN Cn1c(SCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001360085125 1064947146 /nfs/dbraw/zinc/94/71/46/1064947146.db2.gz ZEFVJNZKLYGYBD-HNNXBMFYSA-N 0 0 451.042 4.606 20 0 JJADRN Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001492596788 1064947178 /nfs/dbraw/zinc/94/71/78/1064947178.db2.gz OBZACKFQJIQJKX-UHFFFAOYSA-N 0 0 475.685 4.832 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001435702874 1064947414 /nfs/dbraw/zinc/94/74/14/1064947414.db2.gz JWAIVSYSTYHHRE-HBFSDRIKSA-N 0 0 452.473 4.930 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001435704626 1064947901 /nfs/dbraw/zinc/94/79/01/1064947901.db2.gz WOGAXVUDPTUYOA-OMLDUKLJSA-N 0 0 453.395 4.684 20 0 JJADRN CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360085809 1064948965 /nfs/dbraw/zinc/94/89/65/1064948965.db2.gz JDSWKLKKRKCSDD-QHCPKHFHSA-N 0 0 450.599 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)C1 ZINC001435706752 1064948994 /nfs/dbraw/zinc/94/89/94/1064948994.db2.gz HRVAFUQVHUSFMJ-JKSUJKDBSA-N 0 0 450.448 4.559 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC001435706351 1064949242 /nfs/dbraw/zinc/94/92/42/1064949242.db2.gz PXICCTJEDBHMMW-JOCHJYFZSA-N 0 0 454.611 4.777 20 0 JJADRN CC(C)CSCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360086100 1064949331 /nfs/dbraw/zinc/94/93/31/1064949331.db2.gz PSZCROLZWZVORO-GOSISDBHSA-N 0 0 466.717 4.857 20 0 JJADRN CC(C)CSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360086405 1064949837 /nfs/dbraw/zinc/94/98/37/1064949837.db2.gz XNXVIFOGSJTDTI-LJQANCHMSA-N 0 0 495.734 4.786 20 0 JJADRN CC(C)CSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360086146 1064949999 /nfs/dbraw/zinc/94/99/99/1064949999.db2.gz QYMMLDKBKCJYSM-RTWAWAEBSA-N 0 0 493.718 4.745 20 0 JJADRN CSc1cc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)ccn1 ZINC001435709940 1064950164 /nfs/dbraw/zinc/95/01/64/1064950164.db2.gz YPSPDLSYAQZLBP-AUSIDOKSSA-N 0 0 451.617 4.974 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1C1CC1 ZINC001435709527 1064950217 /nfs/dbraw/zinc/95/02/17/1064950217.db2.gz CPJFAYMBBAWEIM-MAUKXSAKSA-N 0 0 453.587 4.761 20 0 JJADRN CSc1cc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)ccn1 ZINC001435709945 1064950233 /nfs/dbraw/zinc/95/02/33/1064950233.db2.gz YPSPDLSYAQZLBP-CVDCTZTESA-N 0 0 451.617 4.974 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCCSCc1ccc(Cl)cc1Cl ZINC001435710072 1064950361 /nfs/dbraw/zinc/95/03/61/1064950361.db2.gz QRVSBBIFNNULTQ-LJQANCHMSA-N 0 0 453.391 4.926 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001435713047 1064951357 /nfs/dbraw/zinc/95/13/57/1064951357.db2.gz DJLVYLJXADDHPG-MRXNPFEDSA-N 0 0 459.732 4.867 20 0 JJADRN CC(C)CSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001360087455 1064952227 /nfs/dbraw/zinc/95/22/27/1064952227.db2.gz STEGYMVLVKVLOB-JPYJTQIMSA-N 0 0 497.130 4.997 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001435715778 1064952409 /nfs/dbraw/zinc/95/24/09/1064952409.db2.gz UFXPMVOQIRPTIF-QHCPKHFHSA-N 0 0 452.913 4.522 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)CSc3ccc4c(c3)CCC4)cc2C1 ZINC001435715806 1064952589 /nfs/dbraw/zinc/95/25/89/1064952589.db2.gz XJDHDPANKDSJRF-IBGZPJMESA-N 0 0 453.608 4.683 20 0 JJADRN CC(C)CSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C ZINC001360087549 1064952591 /nfs/dbraw/zinc/95/25/91/1064952591.db2.gz URYNNHNRLIKUNX-MRXNPFEDSA-N 0 0 453.450 4.998 20 0 JJADRN CC(C)CSCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC(C)(C)C ZINC001360087558 1064952686 /nfs/dbraw/zinc/95/26/86/1064952686.db2.gz VAMRHRDIXDQLQV-HDICACEKSA-N 0 0 453.697 4.920 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360088920 1064954734 /nfs/dbraw/zinc/95/47/34/1064954734.db2.gz CVBIEHNTWLOCOU-BHDDXSALSA-N 0 0 493.762 4.575 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 ZINC001435723136 1064955700 /nfs/dbraw/zinc/95/57/00/1064955700.db2.gz WIQKHWMMDSBHQR-DEOSSOPVSA-N 0 0 459.656 4.534 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360089189 1064955859 /nfs/dbraw/zinc/95/58/59/1064955859.db2.gz NMOBLPHXEUGGCZ-REHUZNOOSA-N 0 0 450.693 4.593 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001360089124 1064955871 /nfs/dbraw/zinc/95/58/71/1064955871.db2.gz KXHFVJJPQAIMJL-HXUWFJFHSA-N 0 0 494.130 4.530 20 0 JJADRN CC(C)CSCCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C ZINC001360089803 1064957103 /nfs/dbraw/zinc/95/71/03/1064957103.db2.gz ZJJGBCOGJPHJHT-UHFFFAOYSA-N 0 0 479.094 4.868 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001360090401 1064957491 /nfs/dbraw/zinc/95/74/91/1064957491.db2.gz CSJUEAOFNDEALY-INIZCTEOSA-N 0 0 457.423 4.821 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCC3)n2CCSCc2ccccc2)CC1 ZINC001360090168 1064957753 /nfs/dbraw/zinc/95/77/53/1064957753.db2.gz VNORXGAHOPJJNY-UHFFFAOYSA-N 0 0 455.672 4.562 20 0 JJADRN Cc1cc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)nn1-c1cccc(Cl)c1 ZINC001435726374 1064958336 /nfs/dbraw/zinc/95/83/36/1064958336.db2.gz NJVQPBWCQUDEMA-QHCPKHFHSA-N 0 0 456.905 4.523 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C(C)(C)O1 ZINC001435726465 1064959132 /nfs/dbraw/zinc/95/91/32/1064959132.db2.gz OPNFDACYCSSKOE-PKTZIBPZSA-N 0 0 457.636 4.580 20 0 JJADRN Cc1c(C(=O)NCC2(Cc3ccccc3)CCCC2)nnn1-c1ccccc1Br ZINC001435728254 1064959645 /nfs/dbraw/zinc/95/96/45/1064959645.db2.gz YUUCEDXCVFBKDB-UHFFFAOYSA-N 0 0 453.384 4.871 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CO1 ZINC001435727601 1064959668 /nfs/dbraw/zinc/95/96/68/1064959668.db2.gz KJDNBZUOPWJKDB-UKRRQHHQSA-N 0 0 454.354 4.645 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)CC2=O)cc1 ZINC001435729008 1064960325 /nfs/dbraw/zinc/96/03/25/1064960325.db2.gz KEUPWWIIPZONGJ-CQSZACIVSA-N 0 0 459.333 4.569 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(C)CCCC2)CC1 ZINC001360092282 1064960537 /nfs/dbraw/zinc/96/05/37/1064960537.db2.gz ZLKQSVUFJSKVFF-UHFFFAOYSA-N 0 0 451.659 4.727 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001435729454 1064960776 /nfs/dbraw/zinc/96/07/76/1064960776.db2.gz BYHVNGXSNLOUGZ-CRAIPNDOSA-N 0 0 451.585 4.520 20 0 JJADRN COc1ccc([C@H](C)NC(=O)COc2ccc(Oc3ccccn3)cc2)c(Br)c1 ZINC001435730877 1064961260 /nfs/dbraw/zinc/96/12/60/1064961260.db2.gz JHPMVPRYMWTPGJ-HNNXBMFYSA-N 0 0 457.324 4.901 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nn1-c1ccccc1 ZINC001435729938 1064961404 /nfs/dbraw/zinc/96/14/04/1064961404.db2.gz FGBICVGSGBVMAN-OAHLLOKOSA-N 0 0 453.593 4.768 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)[C@H](C)[C@@H]1OC ZINC001435731121 1064961967 /nfs/dbraw/zinc/96/19/67/1064961967.db2.gz IFHQKFKYGLTEOT-KPOBHBOGSA-N 0 0 452.521 4.979 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001435731783 1064962374 /nfs/dbraw/zinc/96/23/74/1064962374.db2.gz LJPUMRQEIJKKCU-CRAIPNDOSA-N 0 0 458.383 4.591 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)N[C@@H](C)c2ccc(OC)cc2Br)[C@@H]1c1cccc(C)c1 ZINC001435732173 1064962443 /nfs/dbraw/zinc/96/24/43/1064962443.db2.gz QBPUVAFJMOTSHD-LYLBAIIYSA-N 0 0 459.384 4.553 20 0 JJADRN O=C(COc1ccc(Br)cc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001435731755 1064962482 /nfs/dbraw/zinc/96/24/82/1064962482.db2.gz LDXKWNKAGSBFAS-OAHLLOKOSA-N 0 0 454.189 4.849 20 0 JJADRN COCC[C@H](NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccc(C)o1 ZINC001435733385 1064963127 /nfs/dbraw/zinc/96/31/27/1064963127.db2.gz ZZLVWMIHNHEHQI-FQEVSTJZSA-N 0 0 459.589 4.650 20 0 JJADRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(CN2CCCCC2=O)cc1 ZINC001435732903 1064963185 /nfs/dbraw/zinc/96/31/85/1064963185.db2.gz OTFIQIJLQQRHPQ-IBGZPJMESA-N 0 0 456.411 4.834 20 0 JJADRN COC[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(F)c(F)c1 ZINC001435736580 1064965102 /nfs/dbraw/zinc/96/51/02/1064965102.db2.gz MPSLMDZKSLUHKR-INIZCTEOSA-N 0 0 455.324 4.774 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)NC3(c4ccc(F)cc4F)CCOCC3)cs2)cc1 ZINC001435736803 1064965156 /nfs/dbraw/zinc/96/51/56/1064965156.db2.gz RMRLFUICJMRBER-UHFFFAOYSA-N 0 0 458.530 4.852 20 0 JJADRN O=C(c1cncc(I)c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001435738559 1064965647 /nfs/dbraw/zinc/96/56/47/1064965647.db2.gz QCVMFDAUBKXCNY-OAQYLSRUSA-N 0 0 454.311 4.669 20 0 JJADRN CCc1nc(C(=O)N[C@@H](COC)c2ccc(F)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001435737530 1064965774 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452.654 4.939 20 0 JJADRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)c1 ZINC001435762708 1064981180 /nfs/dbraw/zinc/98/11/80/1064981180.db2.gz QIAKDYKJMZZPAS-UHFFFAOYSA-N 0 0 459.502 4.796 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C)c3ccccc3OCc3ccccc3)CC2=O)cc1 ZINC001435761884 1064981255 /nfs/dbraw/zinc/98/12/55/1064981255.db2.gz DJAMIYNJECULJN-REWPJTCUSA-N 0 0 458.558 4.500 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)ccc1OCC(=O)OC ZINC001435762833 1064981323 /nfs/dbraw/zinc/98/13/23/1064981323.db2.gz ALDITGWZZRHLNE-UHFFFAOYSA-N 0 0 450.329 4.775 20 0 JJADRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)CCCc2ccccc2Br)c1 ZINC001435763043 1064981345 /nfs/dbraw/zinc/98/13/45/1064981345.db2.gz BWVOKELXZJSZOZ-UHFFFAOYSA-N 0 0 456.340 4.691 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(/C)c2ccccc2OC(F)F)c1 ZINC001435763786 1064981862 /nfs/dbraw/zinc/98/18/62/1064981862.db2.gz IJJUSLVKKXPCJK-RTYFKUQISA-N 0 0 452.523 4.548 20 0 JJADRN CC(C)c1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Br)o1 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COc1cc(OC)c(Cn2nccc2NC(=O)CSc2ccc(C(C)C)cc2)c(OC)c1 ZINC001435849806 1065021881 /nfs/dbraw/zinc/02/18/81/1065021881.db2.gz OSQJFVWBCMNXGP-UHFFFAOYSA-N 0 0 455.580 4.811 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC001435849951 1065022381 /nfs/dbraw/zinc/02/23/81/1065022381.db2.gz KGMMCNNEHNXDOK-CVDCTZTESA-N 0 0 453.970 4.569 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)Nc2sc3c(c2C(=O)c2ccc(C)c(F)c2)CCC3)c1 ZINC001435849954 1065022450 /nfs/dbraw/zinc/02/24/50/1065022450.db2.gz AWUDUHPAUICCHP-CMDGGOBGSA-N 0 0 453.491 4.947 20 0 JJADRN CCCCCn1nc(C(=O)O[C@H](c2ccncc2)c2cccc(OC)c2)c2ccccc2c1=O ZINC001435851615 1065023799 /nfs/dbraw/zinc/02/37/99/1065023799.db2.gz GSSZHCZDAHOLJH-RUZDIDTESA-N 0 0 457.530 4.937 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1csc(-c3ccc(OC)c(OC)c3)n1)[C@H]2C ZINC001435852953 1065024570 /nfs/dbraw/zinc/02/45/70/1065024570.db2.gz HFQRFULJGCBUOR-HOTGVXAUSA-N 0 0 452.576 4.913 20 0 JJADRN CCc1nc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001435852677 1065024754 /nfs/dbraw/zinc/02/47/54/1065024754.db2.gz VAXUVIVRAAROTH-INIZCTEOSA-N 0 0 458.362 4.604 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(Br)nc(Br)c1)[C@@H]2C ZINC001435853088 1065025022 /nfs/dbraw/zinc/02/50/22/1065025022.db2.gz HXZZFUIBKDOTRL-WDEREUQCSA-N 0 0 454.162 4.763 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccncc2)c1 ZINC001435853999 1065025656 /nfs/dbraw/zinc/02/56/56/1065025656.db2.gz WKCSORZKTVUFEP-FQEVSTJZSA-N 0 0 455.536 4.518 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)C[C@H](C)c3ccccc3F)c2C)c1 ZINC001435853730 1065025669 /nfs/dbraw/zinc/02/56/69/1065025669.db2.gz DGFWCUHAAQUCJR-BXKMTCNYSA-N 0 0 451.542 4.731 20 0 JJADRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(I)ccc2Br)C1 ZINC001360130581 1065026130 /nfs/dbraw/zinc/02/61/30/1065026130.db2.gz CJNXGGDLTHHLOC-YPMHNXCESA-N 0 0 450.158 4.998 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc2F)n1 ZINC001360130589 1065026243 /nfs/dbraw/zinc/02/62/43/1065026243.db2.gz CDPASWFLQKDPEI-NRFANRHFSA-N 0 0 458.578 4.832 20 0 JJADRN CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(I)ccc2Br)C1 ZINC001360130575 1065026345 /nfs/dbraw/zinc/02/63/45/1065026345.db2.gz CJNXGGDLTHHLOC-AAEUAGOBSA-N 0 0 450.158 4.998 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC001360131157 1065026699 /nfs/dbraw/zinc/02/66/99/1065026699.db2.gz IMGXMHKFDYZEHJ-NRFANRHFSA-N 0 0 454.998 4.929 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)c2)n1 ZINC001360131328 1065026739 /nfs/dbraw/zinc/02/67/39/1065026739.db2.gz KQNMUZTYIFFHON-QHCPKHFHSA-N 0 0 454.615 4.752 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC001360131749 1065026755 /nfs/dbraw/zinc/02/67/55/1065026755.db2.gz OXVIPCBAPJEAPM-BUHFOSPRSA-N 0 0 453.589 4.740 20 0 JJADRN Cn1nc(C2CCCC2)cc1NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001435855930 1065027246 /nfs/dbraw/zinc/02/72/46/1065027246.db2.gz OPAYVVPMJDZWNT-UHFFFAOYSA-N 0 0 455.605 4.885 20 0 JJADRN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1c(Br)cccc1Br ZINC001360132785 1065027624 /nfs/dbraw/zinc/02/76/24/1065027624.db2.gz XIZNWFCQRWHKJI-ZDUSSCGKSA-N 0 0 456.153 4.750 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)c3csc(Cl)n3)c2C(=O)c2ccc(C)cc2)C1 ZINC001435856380 1065027720 /nfs/dbraw/zinc/02/77/20/1065027720.db2.gz SAPPGKPDSNBAHJ-UHFFFAOYSA-N 0 0 459.980 4.554 20 0 JJADRN Cc1ccc(C(=O)c2c(NC(=O)c3coc(Br)c3)sc3c2CCN(C)C3)cc1 ZINC001435857091 1065028224 /nfs/dbraw/zinc/02/82/24/1065028224.db2.gz ZSWWKJFNHSALST-UHFFFAOYSA-N 0 0 459.365 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)OC3(C)C)cc2C1 ZINC001360132992 1065028358 /nfs/dbraw/zinc/02/83/58/1065028358.db2.gz ZOWGSSGIIQHKNA-OAQYLSRUSA-N 0 0 450.535 4.651 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435858321 1065028649 /nfs/dbraw/zinc/02/86/49/1065028649.db2.gz DYISMEJBRPAGQF-ZDUSSCGKSA-N 0 0 450.686 4.724 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859753 1065029074 /nfs/dbraw/zinc/02/90/74/1065029074.db2.gz PYPWLPQDSHNVFC-AWEZNQCLSA-N 0 0 454.399 4.631 20 0 JJADRN O=C(c1csc(COc2ccc(F)cc2)n1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435860836 1065029577 /nfs/dbraw/zinc/02/95/77/1065029577.db2.gz WYKVCOGSEXRPNY-AWEZNQCLSA-N 0 0 454.449 4.554 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC001435860634 1065029790 /nfs/dbraw/zinc/02/97/90/1065029790.db2.gz GLAJVFDSZUTQIU-UHFFFAOYSA-N 0 0 450.524 4.562 20 0 JJADRN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001435861716 1065030033 /nfs/dbraw/zinc/03/00/33/1065030033.db2.gz DPSQJCVXDMBMJK-UHFFFAOYSA-N 0 0 452.873 4.659 20 0 JJADRN Cn1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(-c2ccc(Cl)s2)n1 ZINC001435861554 1065030170 /nfs/dbraw/zinc/03/01/70/1065030170.db2.gz CEFLLIFHKVZBRV-UHFFFAOYSA-N 0 0 453.370 4.553 20 0 JJADRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001360134996 1065031204 /nfs/dbraw/zinc/03/12/04/1065031204.db2.gz JPKWYJFOAQEXBX-OAHLLOKOSA-N 0 0 455.440 4.833 20 0 JJADRN CN(CCC(=O)Nc1ccccc1NC(=O)Cc1cccs1)C(=O)OCc1ccccc1 ZINC001360135637 1065032100 /nfs/dbraw/zinc/03/21/00/1065032100.db2.gz SXSLUBJINNRISE-UHFFFAOYSA-N 0 0 451.548 4.527 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001360135753 1065032119 /nfs/dbraw/zinc/03/21/19/1065032119.db2.gz YBCXMZIAUBSOMG-UHFFFAOYSA-N 0 0 454.573 4.508 20 0 JJADRN Cc1c(Br)c(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nn1C ZINC001435865437 1065033578 /nfs/dbraw/zinc/03/35/78/1065033578.db2.gz YMDZIOZKZRPILH-CYBMUJFWSA-N 0 0 458.200 4.885 20 0 JJADRN O=C(c1nc(NCc2ccco2)ncc1Cl)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867351 1065034267 /nfs/dbraw/zinc/03/42/67/1065034267.db2.gz GIVJXWJGQQYLSQ-AWEZNQCLSA-N 0 0 450.848 4.984 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C[C@@H](C)c1ccccc1F)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867496 1065034323 /nfs/dbraw/zinc/03/43/23/1065034323.db2.gz HNDFBZRKJNKZBU-CRICUBBOSA-N 0 0 451.542 4.602 20 0 JJADRN CC(C)(C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001435867796 1065034937 /nfs/dbraw/zinc/03/49/37/1065034937.db2.gz HMNHJHADEWJOSR-HNNXBMFYSA-N 0 0 459.917 4.927 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435868063 1065035281 /nfs/dbraw/zinc/03/52/81/1065035281.db2.gz JOZXJVPCJAQUKN-QMHKHESXSA-N 0 0 453.970 4.726 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3cnc(Cl)c(Br)c3C)CC2=O)cc1 ZINC001435870494 1065035608 /nfs/dbraw/zinc/03/56/08/1065035608.db2.gz RRJNWBWVFCFZEO-CQSZACIVSA-N 0 0 450.764 4.750 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)CCc3cc(Br)c(Br)s3)cc2C1 ZINC001435870461 1065035665 /nfs/dbraw/zinc/03/56/65/1065035665.db2.gz MJDQZKIMMMKPAZ-CYBMUJFWSA-N 0 0 459.203 4.958 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cnc(Cl)c(Br)c3C)CC2=O)cc1 ZINC001435870492 1065035690 /nfs/dbraw/zinc/03/56/90/1065035690.db2.gz RRJNWBWVFCFZEO-AWEZNQCLSA-N 0 0 450.764 4.750 20 0 JJADRN COc1cc(OC(=O)c2csc(-c3cc(Br)cs3)n2)cc(OC)c1OC ZINC001435871543 1065036692 /nfs/dbraw/zinc/03/66/92/1065036692.db2.gz OKCRHWYBOUORFW-UHFFFAOYSA-N 0 0 456.339 4.879 20 0 JJADRN O=C(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1oc2ccccc2c1Br ZINC001435874653 1065037565 /nfs/dbraw/zinc/03/75/65/1065037565.db2.gz WDPPPNMBBNEEDF-UHFFFAOYSA-N 0 0 450.651 4.926 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(C(=O)OCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC001435874574 1065037640 /nfs/dbraw/zinc/03/76/40/1065037640.db2.gz SGNSKJKWCXMPNZ-UHFFFAOYSA-N 0 0 450.857 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2cc3c(cc2Cl)CCC3=O)(c2ccccc2)C1 ZINC001435874848 1065038103 /nfs/dbraw/zinc/03/81/03/1065038103.db2.gz DBNFBUSUTFKCRI-VWLOTQADSA-N 0 0 454.954 4.986 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CSCCN2Cc2ccccc2)s1 ZINC001435876273 1065038973 /nfs/dbraw/zinc/03/89/73/1065038973.db2.gz SWECMRQVRLVVDD-QFIPXVFZSA-N 0 0 451.661 4.703 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)c2ccccc2)n1 ZINC001435876822 1065039569 /nfs/dbraw/zinc/03/95/69/1065039569.db2.gz GNPVQFFESXKIIN-GOSISDBHSA-N 0 0 456.333 4.893 20 0 JJADRN C[C@@H](CNC(=O)c1cc(Cl)ccc1I)Oc1ccc(Cl)cc1 ZINC001435876576 1065039783 /nfs/dbraw/zinc/03/97/83/1065039783.db2.gz YXIHSQYVMISCBU-JTQLQIEISA-N 0 0 450.103 4.795 20 0 JJADRN Cc1cccc2c1CN(C(=O)c1cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c1)CC2 ZINC001435877852 1065040058 /nfs/dbraw/zinc/04/00/58/1065040058.db2.gz SAQDROFYZQVHRR-UHFFFAOYSA-N 0 0 454.979 4.672 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3cc(-n4cccc4)ccc3F)CC2=O)ccc1Br ZINC001360141389 1065040087 /nfs/dbraw/zinc/04/00/87/1065040087.db2.gz JHGCVDJVLPRMIP-OAHLLOKOSA-N 0 0 456.315 4.679 20 0 JJADRN CCOc1ccccc1OCC(=O)Nc1cc(OC)c(Br)cc1Br ZINC001435879309 1065040542 /nfs/dbraw/zinc/04/05/42/1065040542.db2.gz BZJIKJLPCSJXBJ-UHFFFAOYSA-N 0 0 459.134 4.636 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)/C=C\c1ccc(SC)s1 ZINC001435880504 1065040936 /nfs/dbraw/zinc/04/09/36/1065040936.db2.gz SHIGSGBXTXFHPB-VURMDHGXSA-N 0 0 454.411 4.838 20 0 JJADRN COc1cc(NC(=O)Cc2ccc3c(c2)CCCO3)c(Br)cc1Br ZINC001435880389 1065041115 /nfs/dbraw/zinc/04/11/15/1065041115.db2.gz KUPNMQRCGJWHRK-UHFFFAOYSA-N 0 0 455.146 4.726 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(C)c(Br)s3)c2)n1 ZINC001435880685 1065041297 /nfs/dbraw/zinc/04/12/97/1065041297.db2.gz UGQFSRCGMXUXQD-UHFFFAOYSA-N 0 0 451.367 4.659 20 0 JJADRN O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccccc1[S@](=O)C(F)(F)F ZINC001435881047 1065041601 /nfs/dbraw/zinc/04/16/01/1065041601.db2.gz PLJYRKYVLLXLFH-KJEZJMDVSA-N 0 0 451.495 4.886 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)cc1 ZINC001360142042 1065041507 /nfs/dbraw/zinc/04/15/07/1065041507.db2.gz QFURQVDFSLHYDQ-UHFFFAOYSA-N 0 0 455.555 4.822 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c3c(ccc2OC)CCC3)cc1 ZINC001435881858 1065042340 /nfs/dbraw/zinc/04/23/40/1065042340.db2.gz FJBWNCOAWVRWOK-UHFFFAOYSA-N 0 0 450.560 4.651 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)cc(Br)c1F ZINC001435881747 1065042402 /nfs/dbraw/zinc/04/24/02/1065042402.db2.gz WOXALLRDQNVZRV-UHFFFAOYSA-N 0 0 452.610 4.795 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001360142277 1065042661 /nfs/dbraw/zinc/04/26/61/1065042661.db2.gz RPTSNOLQRGXQPL-QGZVFWFLSA-N 0 0 459.370 4.503 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(Cl)c(Cl)c(Cl)c2)cc1C ZINC001435882689 1065043068 /nfs/dbraw/zinc/04/30/68/1065043068.db2.gz BYVKHVXNLNCSLE-UHFFFAOYSA-N 0 0 450.771 4.628 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435883356 1065043300 /nfs/dbraw/zinc/04/33/00/1065043300.db2.gz HMPITSOOEMGBSU-CYBMUJFWSA-N 0 0 457.137 4.875 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(Br)ccc2Cl)cc1 ZINC001435883327 1065043432 /nfs/dbraw/zinc/04/34/32/1065043432.db2.gz OBGORFBQEHBLMF-UHFFFAOYSA-N 0 0 458.805 4.949 20 0 JJADRN O=C(Cc1ccc(OC(F)F)cc1)OCc1ccc(I)c(Cl)c1 ZINC001435884337 1065043846 /nfs/dbraw/zinc/04/38/46/1065043846.db2.gz MHVUPDXEOYXEDE-UHFFFAOYSA-N 0 0 452.622 4.832 20 0 JJADRN CCCN1CCN(C(=O)c2cc(I)c(C)cc2C)c2ccc(F)cc21 ZINC001435884777 1065043878 /nfs/dbraw/zinc/04/38/78/1065043878.db2.gz WSESIFXPPBRLNC-UHFFFAOYSA-N 0 0 452.311 4.924 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccc(I)c(Cl)c1 ZINC001435885688 1065043916 /nfs/dbraw/zinc/04/39/16/1065043916.db2.gz WLCORHYMBMBADB-VIFPVBQESA-N 0 0 452.622 4.734 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001435885145 1065043997 /nfs/dbraw/zinc/04/39/97/1065043997.db2.gz ZYRWKCVIWTXJGJ-UHFFFAOYSA-N 0 0 459.447 4.957 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)CC1CCCCC1 ZINC001435886424 1065044403 /nfs/dbraw/zinc/04/44/03/1065044403.db2.gz YHOCEHPIWBHFQL-SFTDATJTSA-N 0 0 457.615 4.552 20 0 JJADRN CCc1c(NC(=O)Cc2ccccc2N2CCCC2=O)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435887636 1065045107 /nfs/dbraw/zinc/04/51/07/1065045107.db2.gz USXSFUGTOUSKBX-UHFFFAOYSA-N 0 0 456.468 4.762 20 0 JJADRN CCCc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cnn1-c1ccc(F)cc1 ZINC001435887870 1065045119 /nfs/dbraw/zinc/04/51/19/1065045119.db2.gz OPMIPXWCZNKTRA-KRWDZBQOSA-N 0 0 454.933 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](C)Oc1ccccc1C ZINC001545893947 1065045853 /nfs/dbraw/zinc/04/58/53/1065045853.db2.gz LIZZHPGSWJBCAN-QZTJIDSGSA-N 0 0 481.563 4.751 20 0 JJADRN CC[C@@H](CN(C)C(=O)COc1ccc2c(c1)CCC(=O)N2)Oc1ccc(Cl)c(Cl)c1 ZINC001435889108 1065046583 /nfs/dbraw/zinc/04/65/83/1065046583.db2.gz GLFVWSMSXUAVHU-HNNXBMFYSA-N 0 0 451.350 4.573 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@@H]1c1ccc(OC)cc1 ZINC001435889578 1065046657 /nfs/dbraw/zinc/04/66/57/1065046657.db2.gz FGOGITDAQCINGW-XKMMOUTESA-N 0 0 458.643 4.875 20 0 JJADRN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C(=O)c1cnn(C)c1 ZINC001360145647 1065047316 /nfs/dbraw/zinc/04/73/16/1065047316.db2.gz TUHAMOSYSISUIN-UHFFFAOYSA-N 0 0 459.527 4.814 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(F)c(Br)c1 ZINC001360145466 1065047331 /nfs/dbraw/zinc/04/73/31/1065047331.db2.gz PUHCPINVMVNDGO-SNVBAGLBSA-N 0 0 457.225 4.679 20 0 JJADRN C/C(=C/c1ccccc1)CN(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001435890884 1065048142 /nfs/dbraw/zinc/04/81/42/1065048142.db2.gz IJHBBYMRBYLYPJ-VKAVYKQESA-N 0 0 450.398 4.565 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2c(Cl)cccc2OC)[C@@H]1c1ccccc1OC ZINC001435891343 1065048250 /nfs/dbraw/zinc/04/82/50/1065048250.db2.gz LEFQUWGBUJXRDZ-UUOWRZLLSA-N 0 0 458.986 4.753 20 0 JJADRN C/C(=C\c1ccccc1)CN(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001435890882 1065048274 /nfs/dbraw/zinc/04/82/74/1065048274.db2.gz IJHBBYMRBYLYPJ-SAPNQHFASA-N 0 0 450.398 4.565 20 0 JJADRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001435893271 1065048975 /nfs/dbraw/zinc/04/89/75/1065048975.db2.gz OVGPXXGQTLOISP-UHFFFAOYSA-N 0 0 451.926 4.854 20 0 JJADRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001435895298 1065049974 /nfs/dbraw/zinc/04/99/74/1065049974.db2.gz ZXMOZDLEUIJJGJ-UHFFFAOYSA-N 0 0 450.897 4.590 20 0 JJADRN O=C(Oc1cc(Cl)c(Br)cc1Cl)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001435897844 1065051244 /nfs/dbraw/zinc/05/12/44/1065051244.db2.gz KYHMAWJDONHRBK-UHFFFAOYSA-N 0 0 450.137 4.668 20 0 JJADRN COC[C@@]1(C(=O)NCc2ccccc2Oc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360148395 1065051345 /nfs/dbraw/zinc/05/13/45/1065051345.db2.gz GGILNDYXZXKYCC-RUZDIDTESA-N 0 0 458.530 4.508 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001360148707 1065051813 /nfs/dbraw/zinc/05/18/13/1065051813.db2.gz ZYSUZKIGAPUMJU-WDYCEAGBSA-N 0 0 454.489 4.552 20 0 JJADRN CCc1ccc(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cc1S(C)(=O)=O ZINC001435900113 1065052682 /nfs/dbraw/zinc/05/26/82/1065052682.db2.gz MVPQKROWZQISKD-UHFFFAOYSA-N 0 0 450.276 4.686 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(OC2COC2)cc1 ZINC001435900480 1065052690 /nfs/dbraw/zinc/05/26/90/1065052690.db2.gz BFQTZLMSWQJJSD-HSZRJFAPSA-N 0 0 450.922 4.618 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001435900727 1065053083 /nfs/dbraw/zinc/05/30/83/1065053083.db2.gz DFWKZNYZWLTWRG-UHFFFAOYSA-N 0 0 452.776 4.998 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)Cc1ccc(Cl)cc1Cl ZINC001360150374 1065053561 /nfs/dbraw/zinc/05/35/61/1065053561.db2.gz AERQZFCYDHUITA-QFBILLFUSA-N 0 0 454.419 4.886 20 0 JJADRN O=C(NCC1CCN(CC(F)(F)F)CC1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001435902067 1065054012 /nfs/dbraw/zinc/05/40/12/1065054012.db2.gz YDTWUHFUQXWNDU-UHFFFAOYSA-N 0 0 453.730 4.525 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC001435904516 1065055020 /nfs/dbraw/zinc/05/50/20/1065055020.db2.gz NPKRGFWUXBTTNV-MOSHPQCFSA-N 0 0 453.424 4.575 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cc2ccc(Br)cc2s1 ZINC001360151125 1065055017 /nfs/dbraw/zinc/05/50/17/1065055017.db2.gz RXKIVEIRQYDVDB-UHFFFAOYSA-N 0 0 452.345 4.971 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC001360150897 1065055076 /nfs/dbraw/zinc/05/50/76/1065055076.db2.gz NSKQKCCTKBVDIR-AUSIDOKSSA-N 0 0 454.592 4.655 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001435906660 1065056176 /nfs/dbraw/zinc/05/61/76/1065056176.db2.gz IVPSWLUVLOFIPA-AVRDEDQJSA-N 0 0 450.023 4.821 20 0 JJADRN C[C@H](NC(=O)Cc1cc(Br)cc(I)c1)c1cccs1 ZINC001435907472 1065056241 /nfs/dbraw/zinc/05/62/41/1065056241.db2.gz PFUHDPJSODTBKD-VIFPVBQESA-N 0 0 450.139 4.535 20 0 JJADRN CCn1ncc(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1Br ZINC001435907405 1065056306 /nfs/dbraw/zinc/05/63/06/1065056306.db2.gz IWTJHVGDJSEQEI-UHFFFAOYSA-N 0 0 450.686 4.799 20 0 JJADRN Cc1c(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cnn1-c1ccccc1F ZINC001435907758 1065056789 /nfs/dbraw/zinc/05/67/89/1065056789.db2.gz KKCNSALTWRBOSF-UHFFFAOYSA-N 0 0 450.514 4.501 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(C)cc2C)c1 ZINC001360154299 1065056877 /nfs/dbraw/zinc/05/68/77/1065056877.db2.gz UZEMWIRRVFOHKW-OAQYLSRUSA-N 0 0 450.604 4.880 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)NC(=O)OC(C)(C)C ZINC001360153939 1065056889 /nfs/dbraw/zinc/05/68/89/1065056889.db2.gz KIJBDDYMCCPYIP-MRXNPFEDSA-N 0 0 452.958 4.992 20 0 JJADRN Cc1cnc(Cl)c(NC(=O)c2csc(I)c2Br)c1 ZINC001435908834 1065057663 /nfs/dbraw/zinc/05/76/63/1065057663.db2.gz GWJIXUGVHHKORG-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)C(C)C)c2ccccc2c1=O ZINC001360156780 1065058461 /nfs/dbraw/zinc/05/84/61/1065058461.db2.gz NITUKHLOOQHLAI-IBGZPJMESA-N 0 0 480.657 4.922 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001435909968 1065058636 /nfs/dbraw/zinc/05/86/36/1065058636.db2.gz CYNGMNJQUKDBEJ-HXUWFJFHSA-N 0 0 452.400 4.899 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCc3cccc(Br)c3)C2)c1 ZINC001360157674 1065058834 /nfs/dbraw/zinc/05/88/34/1065058834.db2.gz QTNWOQFBLXVCFB-HXUWFJFHSA-N 0 0 457.412 4.667 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCCC3(C)C)n2CC(F)(F)Br)c2ccccc2c1=O ZINC001360157371 1065058882 /nfs/dbraw/zinc/05/88/82/1065058882.db2.gz XSONBAHYCVVNGV-UHFFFAOYSA-N 0 0 495.372 4.602 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCOC(C)(C)C)c2ccccc2c1=O ZINC001360156869 1065058953 /nfs/dbraw/zinc/05/89/53/1065058953.db2.gz QLQLMKAQCLSQIE-QGZVFWFLSA-N 0 0 488.583 4.533 20 0 JJADRN Cn1nnc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1C(F)(F)F ZINC001360157635 1065059022 /nfs/dbraw/zinc/05/90/22/1065059022.db2.gz OVPAHPQSBQRTMA-UHFFFAOYSA-N 0 0 458.444 4.609 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc12)NCCCc1cccc(Br)c1 ZINC001360157865 1065059506 /nfs/dbraw/zinc/05/95/06/1065059506.db2.gz XVTBACCTYJIQBE-UHFFFAOYSA-N 0 0 452.146 4.644 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2ccc(Oc3ncccc3C)cc2)c(Br)c1 ZINC001435912989 1065060333 /nfs/dbraw/zinc/06/03/33/1065060333.db2.gz ZLEQUXNZJJLCAG-UHFFFAOYSA-N 0 0 455.308 4.661 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360162855 1065061660 /nfs/dbraw/zinc/06/16/60/1065061660.db2.gz UOROHSAEQHMFHT-MSOLQXFVSA-N 0 0 498.628 4.615 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360162856 1065061701 /nfs/dbraw/zinc/06/17/01/1065061701.db2.gz UOROHSAEQHMFHT-QZTJIDSGSA-N 0 0 498.628 4.615 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)cc1C(F)(F)F ZINC001435915537 1065061836 /nfs/dbraw/zinc/06/18/36/1065061836.db2.gz HJDFCTAWZHFCJC-UHFFFAOYSA-N 0 0 456.306 4.780 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCCC1(F)F ZINC001360162873 1065061870 /nfs/dbraw/zinc/06/18/70/1065061870.db2.gz UZKJTRVZYQXPRZ-CABCVRRESA-N 0 0 455.500 4.717 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360164331 1065062148 /nfs/dbraw/zinc/06/21/48/1065062148.db2.gz RQCDVHSTYXSQEB-BHIYHBOVSA-N 0 0 481.563 4.873 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3CCc4c3cccc4C)cc2)c1C(F)(F)F ZINC001360165139 1065062177 /nfs/dbraw/zinc/06/21/77/1065062177.db2.gz HDJHBJCHFNEUCN-FQEVSTJZSA-N 0 0 457.452 4.794 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3C)CC2)c(C)c1 ZINC001360166956 1065062594 /nfs/dbraw/zinc/06/25/94/1065062594.db2.gz JWDCSRNXBAIJGS-DEOSSOPVSA-N 0 0 456.652 4.916 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3C)CC2)c(C)c1 ZINC001360166957 1065062625 /nfs/dbraw/zinc/06/26/25/1065062625.db2.gz JWDCSRNXBAIJGS-XMMPIXPASA-N 0 0 456.652 4.916 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)c(OC)c1 ZINC001435918353 1065062778 /nfs/dbraw/zinc/06/27/78/1065062778.db2.gz VTECZGJVCBXWJW-VURMDHGXSA-N 0 0 454.567 4.760 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC001435918041 1065062969 /nfs/dbraw/zinc/06/29/69/1065062969.db2.gz FAHLUDFKHHWUNY-GFCCVEGCSA-N 0 0 451.470 4.778 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1OC ZINC001435919240 1065063307 /nfs/dbraw/zinc/06/33/07/1065063307.db2.gz BPYOYUNYPGMQCC-UHFFFAOYSA-N 0 0 459.951 4.827 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC001360168891 1065063537 /nfs/dbraw/zinc/06/35/37/1065063537.db2.gz LTSJFEGAKHHGSP-QGZVFWFLSA-N 0 0 453.583 4.975 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC001360168890 1065063661 /nfs/dbraw/zinc/06/36/61/1065063661.db2.gz LTSJFEGAKHHGSP-KRWDZBQOSA-N 0 0 453.583 4.975 20 0 JJADRN Cn1ccc2ccc(NC(=O)c3cccc(Br)c3I)cc21 ZINC001435920609 1065063863 /nfs/dbraw/zinc/06/38/63/1065063863.db2.gz HXCSWVNDZVOIJL-UHFFFAOYSA-N 0 0 455.093 4.798 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCCc2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435920133 1065064003 /nfs/dbraw/zinc/06/40/03/1065064003.db2.gz HUJPGZVTEGIRJN-BTYIYWSLSA-N 0 0 452.904 4.804 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CCOC1CCCCCC1 ZINC001360169917 1065064553 /nfs/dbraw/zinc/06/45/53/1065064553.db2.gz XELJOUIWZOSECS-UHFFFAOYSA-N 0 0 498.491 4.616 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccc1Br ZINC001435921717 1065064779 /nfs/dbraw/zinc/06/47/79/1065064779.db2.gz QRJXIDVLHQCCKX-UHFFFAOYSA-N 0 0 451.292 4.612 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC001435922894 1065065302 /nfs/dbraw/zinc/06/53/02/1065065302.db2.gz GKVNOVRXTQYFMC-YTQUADARSA-N 0 0 453.410 4.650 20 0 JJADRN Cc1ccncc1CC(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922581 1065065313 /nfs/dbraw/zinc/06/53/13/1065065313.db2.gz SBUSFVGETHEPCT-BJKOFHAPSA-N 0 0 451.611 4.697 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360172668 1065065598 /nfs/dbraw/zinc/06/55/98/1065065598.db2.gz QDTCCSLGKDSQEV-CYBMUJFWSA-N 0 0 494.534 4.744 20 0 JJADRN CCC[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC001360173946 1065065945 /nfs/dbraw/zinc/06/59/45/1065065945.db2.gz TYQLPVHZTGVLGW-LJQANCHMSA-N 0 0 451.792 4.923 20 0 JJADRN CCC[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC001360173945 1065066001 /nfs/dbraw/zinc/06/60/01/1065066001.db2.gz TYQLPVHZTGVLGW-IBGZPJMESA-N 0 0 451.792 4.923 20 0 JJADRN CCC[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001360173671 1065066116 /nfs/dbraw/zinc/06/61/16/1065066116.db2.gz HYCVMZKCIGWHEC-IBGZPJMESA-N 0 0 451.792 4.923 20 0 JJADRN O=C(C[C@H](n1cccn1)C(F)(F)F)Oc1ccc(Oc2ccc(Br)cn2)cc1 ZINC001435925099 1065066330 /nfs/dbraw/zinc/06/63/30/1065066330.db2.gz LIQPJYZGCHPGTF-HNNXBMFYSA-N 0 0 456.218 4.932 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CC2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360175523 1065066405 /nfs/dbraw/zinc/06/64/05/1065066405.db2.gz LPXOZMJYQIZSNV-GOSISDBHSA-N 0 0 466.399 4.516 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001435925459 1065066577 /nfs/dbraw/zinc/06/65/77/1065066577.db2.gz QDECNZYFUWJDMX-LLVKDONJSA-N 0 0 458.736 4.786 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001435925460 1065066765 /nfs/dbraw/zinc/06/67/65/1065066765.db2.gz QDECNZYFUWJDMX-NSHDSACASA-N 0 0 458.736 4.786 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001360176884 1065066998 /nfs/dbraw/zinc/06/69/98/1065066998.db2.gz GVITUJRRMYGICZ-RBUKOAKNSA-N 0 0 481.563 4.609 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001360177877 1065067039 /nfs/dbraw/zinc/06/70/39/1065067039.db2.gz IMACLAYYFYTTQF-IBGZPJMESA-N 0 0 453.336 4.970 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1 ZINC001435927433 1065067759 /nfs/dbraw/zinc/06/77/59/1065067759.db2.gz YIOLSIJNQKHPQJ-CYBMUJFWSA-N 0 0 450.402 4.588 20 0 JJADRN C[C@H](c1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)N1CCOCC1 ZINC001360179215 1065067928 /nfs/dbraw/zinc/06/79/28/1065067928.db2.gz ASHSLEBPZZXDOS-AUSIDOKSSA-N 0 0 453.583 4.674 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001435929506 1065067977 /nfs/dbraw/zinc/06/79/77/1065067977.db2.gz CPCCEZTZKRDQEF-JOCHJYFZSA-N 0 0 452.334 4.801 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([S@](C)=O)cc3)[C@H]2c2cccs2)cc1 ZINC001360181015 1065068408 /nfs/dbraw/zinc/06/84/08/1065068408.db2.gz OMOVZCOLITUJPB-ULCKYHQRSA-N 0 0 452.601 4.917 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1C[C@@H]1CCCC1(C)C ZINC001360181601 1065068697 /nfs/dbraw/zinc/06/86/97/1065068697.db2.gz KOYMEBLNQLJIDY-RBBKRZOGSA-N 0 0 471.621 4.567 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1C1CC(C(C)(C)C)C1 ZINC001360181617 1065068824 /nfs/dbraw/zinc/06/88/24/1065068824.db2.gz LGADARZPVGOKKQ-KITAHSCOSA-N 0 0 471.621 4.738 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1C[C@H]1CCCC1(C)C ZINC001360181600 1065068834 /nfs/dbraw/zinc/06/88/34/1065068834.db2.gz KOYMEBLNQLJIDY-IRLDBZIGSA-N 0 0 471.621 4.567 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2scc(Br)c2c1 ZINC001435932130 1065069054 /nfs/dbraw/zinc/06/90/54/1065069054.db2.gz CLOQOFBJANMAGF-SFHVURJKSA-N 0 0 457.349 4.659 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)nc1 ZINC001360182129 1065069252 /nfs/dbraw/zinc/06/92/52/1065069252.db2.gz FLJWHFWHZJVILP-UHFFFAOYSA-N 0 0 458.946 4.960 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2ccco2)n1Cc1cccc(C(F)F)c1 ZINC001360182910 1065069602 /nfs/dbraw/zinc/06/96/02/1065069602.db2.gz ICOISHFSLHSYJE-UHFFFAOYSA-N 0 0 469.492 4.795 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001435932594 1065069585 /nfs/dbraw/zinc/06/95/85/1065069585.db2.gz IQTJGCCNOMCVGJ-UHFFFAOYSA-N 0 0 454.695 4.632 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cc(F)cc(Br)c1F ZINC001435933165 1065069671 /nfs/dbraw/zinc/06/96/71/1065069671.db2.gz NNLLRLGPQQECDR-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360182882 1065069709 /nfs/dbraw/zinc/06/97/09/1065069709.db2.gz HHQMFBONXLSLFI-QLOJAFMTSA-N 0 0 497.562 4.564 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360182881 1065069739 /nfs/dbraw/zinc/06/97/39/1065069739.db2.gz HHQMFBONXLSLFI-AFMYVXGZSA-N 0 0 497.562 4.564 20 0 JJADRN COc1cc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)ccc1OCC(=O)NC(C)C ZINC001435933743 1065070093 /nfs/dbraw/zinc/07/00/93/1065070093.db2.gz HJQHJLQYVSBFIT-UHFFFAOYSA-N 0 0 459.955 4.628 20 0 JJADRN O=C(CCOc1ccc(Cl)c(F)c1)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435934653 1065070800 /nfs/dbraw/zinc/07/08/00/1065070800.db2.gz NFJJVXQGMXMMCU-NRFANRHFSA-N 0 0 455.913 4.891 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1Cc1cscc1C(F)(F)F ZINC001360183587 1065070763 /nfs/dbraw/zinc/07/07/63/1065070763.db2.gz ZHYLFGPHYPYYMJ-UHFFFAOYSA-N 0 0 481.519 4.853 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2cccc(Oc3cccnn3)c2)C1 ZINC001360183789 1065071069 /nfs/dbraw/zinc/07/10/69/1065071069.db2.gz NJPOVBPIJSMKEI-NFBKMPQASA-N 0 0 474.561 4.933 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2)cc1 ZINC001360183678 1065071082 /nfs/dbraw/zinc/07/10/82/1065071082.db2.gz KARQDKIZEWLESJ-UHFFFAOYSA-N 0 0 454.530 4.518 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CC2CC2)C2CCCCC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001360184158 1065071312 /nfs/dbraw/zinc/07/13/12/1065071312.db2.gz BZBXIWHDZIOPAI-UHFFFAOYSA-N 0 0 493.574 4.955 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001435935005 1065071311 /nfs/dbraw/zinc/07/13/11/1065071311.db2.gz QIKANZVDWABCHJ-QHCPKHFHSA-N 0 0 457.505 4.577 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CC2CC2)C2CCCCC2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001360184840 1065071530 /nfs/dbraw/zinc/07/15/30/1065071530.db2.gz SFJKDXWGDDSEGD-SFHVURJKSA-N 0 0 457.594 4.572 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC)c4cccnc34)cc2)c1 ZINC001435936500 1065071663 /nfs/dbraw/zinc/07/16/63/1065071663.db2.gz CSXCGISXBQLDBU-UHFFFAOYSA-N 0 0 457.486 4.522 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC001360187395 1065071978 /nfs/dbraw/zinc/07/19/78/1065071978.db2.gz CIVSKMBVZOFNIU-RPBOFIJWSA-N 0 0 453.533 4.524 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCN([C@@H](CC)c4ccc(F)cc4F)CC3)c12 ZINC001360187216 1065072084 /nfs/dbraw/zinc/07/20/84/1065072084.db2.gz BEWOQPVXHZGMGW-QFIPXVFZSA-N 0 0 456.537 4.925 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC001360187612 1065072768 /nfs/dbraw/zinc/07/27/68/1065072768.db2.gz GAPOAYQOSVTLOR-SFTDATJTSA-N 0 0 456.455 4.967 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC3CCCC3)nc2)CC1 ZINC001360188937 1065073013 /nfs/dbraw/zinc/07/30/13/1065073013.db2.gz YGJIOMRECQDFQY-KRWDZBQOSA-N 0 0 458.400 4.685 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC001360188391 1065073138 /nfs/dbraw/zinc/07/31/38/1065073138.db2.gz QFWYHLFEFGJXNB-INIZCTEOSA-N 0 0 451.355 4.955 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC001360188789 1065073180 /nfs/dbraw/zinc/07/31/80/1065073180.db2.gz WEZVGMQMFKEBFE-NFQMXDRXSA-N 0 0 456.586 4.978 20 0 JJADRN COC(=O)[C@@H](NC(=O)C/C=C\c1ccc(Br)cc1)c1ccc(OC)c(Cl)c1 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CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccccc1OC1CCCC1 ZINC001360196950 1065077342 /nfs/dbraw/zinc/07/73/42/1065077342.db2.gz RWWQQCAYVDVUNG-UHFFFAOYSA-N 0 0 479.547 4.565 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccc(N(C)C)nc2)CCC3)cc1Cl ZINC001435949570 1065077645 /nfs/dbraw/zinc/07/76/45/1065077645.db2.gz SYEXQKRJZMSUPL-UHFFFAOYSA-N 0 0 455.967 4.843 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cc(Br)cnc2Cl)cc(C(F)(F)F)c1 ZINC001435949736 1065077899 /nfs/dbraw/zinc/07/78/99/1065077899.db2.gz SRSRLTKQCWKSKE-UHFFFAOYSA-N 0 0 452.614 4.947 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)c1c(C)nn(Cc3ccccc3)c1Cl)CCS2 ZINC001435950611 1065077928 /nfs/dbraw/zinc/07/79/28/1065077928.db2.gz KSKBENVQJLORHH-UHFFFAOYSA-N 0 0 455.967 4.822 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@H]3C)C1 ZINC001435950003 1065077940 /nfs/dbraw/zinc/07/79/40/1065077940.db2.gz INZUAYVXZUIRKD-ZQDZILKHSA-N 0 0 451.585 4.644 20 0 JJADRN 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ZINC001435954216 1065079316 /nfs/dbraw/zinc/07/93/16/1065079316.db2.gz ZENJOPSUIKFAMI-UHFFFAOYSA-N 0 0 452.150 4.559 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001435954283 1065079402 /nfs/dbraw/zinc/07/94/02/1065079402.db2.gz UQODXYJQSAGBCN-SFTDATJTSA-N 0 0 457.412 4.586 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001360205210 1065079550 /nfs/dbraw/zinc/07/95/50/1065079550.db2.gz GLVKJKCPVYLCHK-LBPRGKRZSA-N 0 0 450.935 4.662 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCSC[C@@H]1c1nccs1 ZINC001435955294 1065079878 /nfs/dbraw/zinc/07/98/78/1065079878.db2.gz FPKAGYUAGHOICF-OAHLLOKOSA-N 0 0 456.376 4.947 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360205522 1065080036 /nfs/dbraw/zinc/08/00/36/1065080036.db2.gz IOMQDXHOCQAVIO-JMUQELJHSA-N 0 0 456.608 4.790 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)c2ccc(F)cc2)cn1 ZINC001435956006 1065080373 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454.368 4.674 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)sc2c1 ZINC001435957772 1065081229 /nfs/dbraw/zinc/08/12/29/1065081229.db2.gz XESLCMONBGONOW-KRWDZBQOSA-N 0 0 457.527 4.885 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 ZINC001360210193 1065081298 /nfs/dbraw/zinc/08/12/98/1065081298.db2.gz FNGKTTTZINHIFV-UHFFFAOYSA-N 0 0 458.511 4.754 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(OC(F)F)c2cccnc12 ZINC001435957993 1065081494 /nfs/dbraw/zinc/08/14/94/1065081494.db2.gz YLWFDQXTUMXHLE-UHFFFAOYSA-N 0 0 453.401 4.699 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)CCNC(=O)Cc3ccccc3)cc2C)cc1 ZINC001360211883 1065081958 /nfs/dbraw/zinc/08/19/58/1065081958.db2.gz JRTOPRDWCXVQHM-UHFFFAOYSA-N 0 0 458.602 4.898 20 0 JJADRN COc1ccc(NC(=O)c2cn3ccc(Br)cc3n2)c(OCc2ccccc2)c1 ZINC001435958535 1065082250 /nfs/dbraw/zinc/08/22/50/1065082250.db2.gz WLGICXNBMMMGPL-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 ZINC001360212103 1065082342 /nfs/dbraw/zinc/08/23/42/1065082342.db2.gz NICBBRSSMURWDW-BJKOFHAPSA-N 0 0 453.579 4.508 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 ZINC001435959348 1065082666 /nfs/dbraw/zinc/08/26/66/1065082666.db2.gz GGCBPZHBFVUEKV-KRWDZBQOSA-N 0 0 450.258 4.972 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3ccc4c(c3)C(=O)NCCO4)cc2C)cc1 ZINC001360212579 1065082824 /nfs/dbraw/zinc/08/28/24/1065082824.db2.gz ZOZLYZBWLBJZKK-UHFFFAOYSA-N 0 0 458.558 4.585 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)CN(Cc2ccccc2)c2ccccc2)n1 ZINC001360213722 1065083217 /nfs/dbraw/zinc/08/32/17/1065083217.db2.gz IJFYIGVWCCHURQ-UHFFFAOYSA-N 0 0 454.530 4.694 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2oc3ccccc3c2Br)n1 ZINC001360214161 1065083410 /nfs/dbraw/zinc/08/34/10/1065083410.db2.gz SNDNNWWUVWSVGU-UHFFFAOYSA-N 0 0 454.280 4.810 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCC ZINC001360214573 1065083448 /nfs/dbraw/zinc/08/34/48/1065083448.db2.gz MVEJLERZVPQYRZ-INIZCTEOSA-N 0 0 454.995 4.904 20 0 JJADRN COc1cc(OC)c(NC(=O)Cc2sc(CC(F)(F)F)nc2C)cc1Br ZINC001435961011 1065083557 /nfs/dbraw/zinc/08/35/57/1065083557.db2.gz HPICIZLYRKJWRD-UHFFFAOYSA-N 0 0 453.280 4.517 20 0 JJADRN COc1cc(OC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1Br ZINC001435961333 1065083594 /nfs/dbraw/zinc/08/35/94/1065083594.db2.gz KBGMLFBAZFBZDR-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCc1csc(C(C)(C)C)n1 ZINC001360214904 1065083656 /nfs/dbraw/zinc/08/36/56/1065083656.db2.gz CYEOIRQZFCUCKG-UHFFFAOYSA-N 0 0 458.676 4.574 20 0 JJADRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC001435961817 1065083917 /nfs/dbraw/zinc/08/39/17/1065083917.db2.gz DTWPFLBSKPLLHX-UHFFFAOYSA-N 0 0 458.587 4.959 20 0 JJADRN COCCOc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001435961703 1065083931 /nfs/dbraw/zinc/08/39/31/1065083931.db2.gz SJMWCJJZZKQMQY-JOCHJYFZSA-N 0 0 455.352 4.583 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)CCO2 ZINC001435962300 1065083991 /nfs/dbraw/zinc/08/39/91/1065083991.db2.gz IBDGBCHYOWPOPB-SFHVURJKSA-N 0 0 453.457 4.608 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H]1CC=CCC1 ZINC001360216209 1065084201 /nfs/dbraw/zinc/08/42/01/1065084201.db2.gz JTEJGRZVVUFWHH-IBGZPJMESA-N 0 0 494.640 4.682 20 0 JJADRN Cc1sc(=O)n(CC(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)c1-c1ccccc1 ZINC001435965320 1065084855 /nfs/dbraw/zinc/08/48/55/1065084855.db2.gz XTLCAQFJFJTNPY-UHFFFAOYSA-N 0 0 458.587 4.580 20 0 JJADRN O=C(Oc1ccc(Br)c(F)c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001360217383 1065085130 /nfs/dbraw/zinc/08/51/30/1065085130.db2.gz IHVSMMPHBFVNNE-UHFFFAOYSA-N 0 0 454.251 4.604 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001360220133 1065085613 /nfs/dbraw/zinc/08/56/13/1065085613.db2.gz YYHHPRRWTUZRBF-KRWDZBQOSA-N 0 0 466.399 4.516 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001435968534 1065085683 /nfs/dbraw/zinc/08/56/83/1065085683.db2.gz QDJGSTGTMRJUJD-RYRKJORJSA-N 0 0 455.860 4.633 20 0 JJADRN COc1cc(OC)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1Br ZINC001435968251 1065085699 /nfs/dbraw/zinc/08/56/99/1065085699.db2.gz XLDWWHWVOKMTKJ-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCCNC(=O)OCc1ccccc1)CC2 ZINC001435969778 1065086132 /nfs/dbraw/zinc/08/61/32/1065086132.db2.gz CJEINYNKFMITQB-UHFFFAOYSA-N 0 0 453.539 4.629 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)c(F)c2)c1 ZINC001360220697 1065086231 /nfs/dbraw/zinc/08/62/31/1065086231.db2.gz PWXITIZWKBWPGF-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(Cn2ccccc2=O)o1 ZINC001435969049 1065086343 /nfs/dbraw/zinc/08/63/43/1065086343.db2.gz WABZVMRYWVKQMY-LJQANCHMSA-N 0 0 459.315 4.662 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12)C(=O)OC(C)(C)C ZINC001435968864 1065086371 /nfs/dbraw/zinc/08/63/71/1065086371.db2.gz CGDFSPSRRQQESP-MHZLTWQESA-N 0 0 450.579 4.758 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001492597161 1065086642 /nfs/dbraw/zinc/08/66/42/1065086642.db2.gz SXPKHBOQFZIXEN-PMACEKPBSA-N 0 0 454.644 4.517 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001360221854 1065086654 /nfs/dbraw/zinc/08/66/54/1065086654.db2.gz FVAWEJZDJJGNII-FGTMMUONSA-N 0 0 462.639 4.518 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@]1(C)CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001435970854 1065086806 /nfs/dbraw/zinc/08/68/06/1065086806.db2.gz CJOLBHIGPAPRNI-XMMPIXPASA-N 0 0 455.396 4.585 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)co1 ZINC001435971766 1065086819 /nfs/dbraw/zinc/08/68/19/1065086819.db2.gz QUGCDESNTRDXGM-UHFFFAOYSA-N 0 0 454.426 4.593 20 0 JJADRN Cn1c(CNC(=O)c2cc(Br)cc(Br)c2)nc2cc(Cl)ccc21 ZINC001435972263 1065087201 /nfs/dbraw/zinc/08/72/01/1065087201.db2.gz FAVNBQCROZUHGX-UHFFFAOYSA-N 0 0 457.553 4.682 20 0 JJADRN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001435971727 1065087240 /nfs/dbraw/zinc/08/72/40/1065087240.db2.gz YLFQBKZLQNYVQT-UXVFNKRRSA-N 0 0 454.929 4.941 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc2cc(Br)cnc2n1C)c1ccccc1 ZINC001360224616 1065087502 /nfs/dbraw/zinc/08/75/02/1065087502.db2.gz GPBVYSSQAYISRS-OAQYLSRUSA-N 0 0 450.336 4.864 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)nc2)c1 ZINC001360224384 1065087524 /nfs/dbraw/zinc/08/75/24/1065087524.db2.gz BZBHPOWGUJRNSX-UHFFFAOYSA-N 0 0 454.548 4.848 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001360224826 1065087543 /nfs/dbraw/zinc/08/75/43/1065087543.db2.gz KPNKJXQJBMEJCV-AREMUKBSSA-N 0 0 458.599 4.749 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(Cl)c1 ZINC001360224346 1065087723 /nfs/dbraw/zinc/08/77/23/1065087723.db2.gz AOGUNNYHQNJCQK-UHFFFAOYSA-N 0 0 452.960 4.874 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)c2)cs1 ZINC001360224889 1065087983 /nfs/dbraw/zinc/08/79/83/1065087983.db2.gz LRVUPQBFEXZZDD-UHFFFAOYSA-N 0 0 458.605 4.996 20 0 JJADRN O=C(NCCCCCCOc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001435974462 1065088236 /nfs/dbraw/zinc/08/82/36/1065088236.db2.gz CCOOHGYPONDZFM-UHFFFAOYSA-N 0 0 450.366 4.892 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC001360225506 1065088444 /nfs/dbraw/zinc/08/84/44/1065088444.db2.gz WEPAEAZTBMQLMV-BXKMTCNYSA-N 0 0 459.571 4.872 20 0 JJADRN Cn1c(CNC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)nc2cc(Cl)ccc21 ZINC001435974997 1065088507 /nfs/dbraw/zinc/08/85/07/1065088507.db2.gz UYZVSBBKDNABKR-UHFFFAOYSA-N 0 0 451.811 4.500 20 0 JJADRN C[C@@]1(C(=O)NCC2(CCOCc3ccccc3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435975266 1065088615 /nfs/dbraw/zinc/08/86/15/1065088615.db2.gz IQGGDLTVMWTASR-AREMUKBSSA-N 0 0 450.579 4.539 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CC(C)(C)c1cccs1 ZINC001360226032 1065088910 /nfs/dbraw/zinc/08/89/10/1065088910.db2.gz FIPMHXGXGFYZFK-IBGZPJMESA-N 0 0 455.603 4.936 20 0 JJADRN CC(C)[C@H](C(=O)OCc1ccc(OCCC(F)(F)F)cc1)S(=O)(=O)C1CCCCC1 ZINC001435976744 1065089553 /nfs/dbraw/zinc/08/95/53/1065089553.db2.gz PDICHWOMIMFTTF-LJQANCHMSA-N 0 0 450.519 4.833 20 0 JJADRN O=C(Cc1ccccc1I)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC001435976747 1065089601 /nfs/dbraw/zinc/08/96/01/1065089601.db2.gz OVKPQGGJZIIGGL-UHFFFAOYSA-N 0 0 452.723 4.503 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)c2o1 ZINC001435977675 1065089646 /nfs/dbraw/zinc/08/96/46/1065089646.db2.gz VBLQBDURQHPFHX-UHFFFAOYSA-N 0 0 459.275 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1Cc1ccccc1OC(C)C ZINC001360227840 1065090014 /nfs/dbraw/zinc/09/00/14/1065090014.db2.gz ZAIZCJHIGMTVEE-LJQANCHMSA-N 0 0 453.612 4.655 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H](OC)c1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360227509 1065090173 /nfs/dbraw/zinc/09/01/73/1065090173.db2.gz CVVLHIMCVPXLRJ-LQGLAIQGSA-N 0 0 454.586 4.525 20 0 JJADRN COc1ccc(Br)c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c1 ZINC001435977875 1065090320 /nfs/dbraw/zinc/09/03/20/1065090320.db2.gz VRCNCYWBUVKFSO-UHFFFAOYSA-N 0 0 457.349 4.886 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC(C)(C)c1cccs1 ZINC001360228104 1065090458 /nfs/dbraw/zinc/09/04/58/1065090458.db2.gz SFHGZXVUNREFDT-HXUWFJFHSA-N 0 0 451.640 4.667 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCc1ccc(Br)cc1 ZINC001360227925 1065090518 /nfs/dbraw/zinc/09/05/18/1065090518.db2.gz QKTJDWUGDBFAIN-LJQANCHMSA-N 0 0 488.455 4.825 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c1F ZINC001435979083 1065090552 /nfs/dbraw/zinc/09/05/52/1065090552.db2.gz UZJWCCGOTBDMIT-GOSISDBHSA-N 0 0 454.336 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC001435980578 1065091018 /nfs/dbraw/zinc/09/10/18/1065091018.db2.gz PUVMBYGVTFEKMI-JTSKRJEESA-N 0 0 451.405 4.633 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360228509 1065091071 /nfs/dbraw/zinc/09/10/71/1065091071.db2.gz XHTWQABZBWULIZ-UHFFFAOYSA-N 0 0 458.676 4.574 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[C@H]1c1cccc(C)c1 ZINC001435979978 1065091262 /nfs/dbraw/zinc/09/12/62/1065091262.db2.gz ZPMOQOURKQNGBM-WIYYLYMNSA-N 0 0 454.983 4.639 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c1 ZINC001360229524 1065091374 /nfs/dbraw/zinc/09/13/74/1065091374.db2.gz NMDPSDSFAPTJBS-QHCPKHFHSA-N 0 0 454.542 4.859 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC001360229744 1065091590 /nfs/dbraw/zinc/09/15/90/1065091590.db2.gz PAVZJXGODQCEDD-JOCHJYFZSA-N 0 0 454.586 4.804 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360231129 1065091954 /nfs/dbraw/zinc/09/19/54/1065091954.db2.gz DVPCRUZVNOTIQH-KRWDZBQOSA-N 0 0 495.546 4.896 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)c1cc2c(ccnc2Cl)o1 ZINC001435983272 1065091921 /nfs/dbraw/zinc/09/19/21/1065091921.db2.gz AQFLBRXDYKMGNK-UHFFFAOYSA-N 0 0 455.664 4.948 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)c3cc4sc(Br)cc4s3)ccc21 ZINC001435983584 1065092100 /nfs/dbraw/zinc/09/21/00/1065092100.db2.gz CKKJVPQZKGQUCT-UHFFFAOYSA-N 0 0 451.367 4.513 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001435983355 1065092176 /nfs/dbraw/zinc/09/21/76/1065092176.db2.gz AKCQJWIVDXSJQR-BETUJISGSA-N 0 0 451.539 4.867 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001435983085 1065092186 /nfs/dbraw/zinc/09/21/86/1065092186.db2.gz ARBMKVVUGUXHFM-UHFFFAOYSA-N 0 0 457.368 4.934 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCCc1ccc(Br)cc1F ZINC001360231979 1065092344 /nfs/dbraw/zinc/09/23/44/1065092344.db2.gz WAEZPPJPGUOFAR-QGZVFWFLSA-N 0 0 459.400 4.822 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(Br)cc(C(=O)OC)c2)cc1Br ZINC001435983910 1065092459 /nfs/dbraw/zinc/09/24/59/1065092459.db2.gz JEOSETGINMOISD-UHFFFAOYSA-N 0 0 457.118 4.649 20 0 JJADRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001435984025 1065092556 /nfs/dbraw/zinc/09/25/56/1065092556.db2.gz DNXSYYGUUHZQBI-UHFFFAOYSA-N 0 0 455.480 4.558 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001435985483 1065092836 /nfs/dbraw/zinc/09/28/36/1065092836.db2.gz IYVKKLOZRSGWFW-AWEZNQCLSA-N 0 0 452.382 4.930 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435986263 1065093191 /nfs/dbraw/zinc/09/31/91/1065093191.db2.gz JTRUBRGVKAHVSX-HIMJEHTPSA-N 0 0 451.405 4.583 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1)N1C(=O)c2ccccc2C1=O ZINC001435985828 1065093277 /nfs/dbraw/zinc/09/32/77/1065093277.db2.gz RTHVQJCBRSKUGM-NRFANRHFSA-N 0 0 456.945 4.728 20 0 JJADRN CCc1c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1 ZINC001360233522 1065093291 /nfs/dbraw/zinc/09/32/91/1065093291.db2.gz MDVQCSYSBQUXJZ-UHFFFAOYSA-N 0 0 451.832 4.902 20 0 JJADRN Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c(C)c1Cl ZINC001360234022 1065093687 /nfs/dbraw/zinc/09/36/87/1065093687.db2.gz VUEPZMNBRYKHSJ-UHFFFAOYSA-N 0 0 451.832 4.957 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)CC1 ZINC001435986684 1065093807 /nfs/dbraw/zinc/09/38/07/1065093807.db2.gz UMTQWOQZFFOISU-INIZCTEOSA-N 0 0 455.039 4.645 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001435986534 1065093822 /nfs/dbraw/zinc/09/38/22/1065093822.db2.gz LKEHNQHUEIEJQM-OKILXGFUSA-N 0 0 453.461 4.830 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)[C@H]1CCC[C@H](C)C1 ZINC001360236050 1065094165 /nfs/dbraw/zinc/09/41/65/1065094165.db2.gz GZZWINQREHZWJS-TXBYWVTISA-N 0 0 455.649 4.981 20 0 JJADRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cccc2cccc(Br)c21 ZINC001435987397 1065094348 /nfs/dbraw/zinc/09/43/48/1065094348.db2.gz KNPOMNHTRWMJFK-UHFFFAOYSA-N 0 0 453.258 4.911 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)[C@@H]1CCC[C@H](C)C1 ZINC001360236049 1065094279 /nfs/dbraw/zinc/09/42/79/1065094279.db2.gz GZZWINQREHZWJS-PRCFCKQXSA-N 0 0 455.649 4.981 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)cc2)CCO1 ZINC001360236520 1065094601 /nfs/dbraw/zinc/09/46/01/1065094601.db2.gz YAGZOLSOZOWYIN-PYPRBJOCSA-N 0 0 457.615 4.570 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC001360236191 1065094634 /nfs/dbraw/zinc/09/46/34/1065094634.db2.gz IYCCHQYCIBKKKL-UWJYYQICSA-N 0 0 452.576 4.688 20 0 JJADRN CCC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(C(C)(C)CC)c1 ZINC001360236502 1065094761 /nfs/dbraw/zinc/09/47/61/1065094761.db2.gz LNJFIVTWBUQCIU-GOSISDBHSA-N 0 0 456.549 4.720 20 0 JJADRN CCCOc1nc(C)ccc1C(=O)Nc1nc2ccc(I)cc2s1 ZINC001435988833 1065094984 /nfs/dbraw/zinc/09/49/84/1065094984.db2.gz VPUYLHNJNMMSOE-UHFFFAOYSA-N 0 0 453.305 4.645 20 0 JJADRN CC(C)CN1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)[C@@H](C)C1=O ZINC001435988393 1065095278 /nfs/dbraw/zinc/09/52/78/1065095278.db2.gz MJJDKRFBKSMGTI-KRWDZBQOSA-N 0 0 453.633 4.918 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC001360239200 1065095077 /nfs/dbraw/zinc/09/50/77/1065095077.db2.gz NWPLPHJOXOYCCO-QFQXNSOFSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)C(=O)Nc1cc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)ccn1 ZINC001435989766 1065095612 /nfs/dbraw/zinc/09/56/12/1065095612.db2.gz PSCRLAPSWSHGRV-FQEVSTJZSA-N 0 0 452.555 4.831 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC001360242371 1065096021 /nfs/dbraw/zinc/09/60/21/1065096021.db2.gz KGBMLMCVCLPULR-OAHLLOKOSA-N 0 0 458.580 4.613 20 0 JJADRN Cc1c2ccccc2sc1[C@@H](C)OC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001435991030 1065096670 /nfs/dbraw/zinc/09/66/70/1065096670.db2.gz ZQCJHNKIZPZJDN-MRXNPFEDSA-N 0 0 456.589 4.675 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001435991554 1065096752 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ZINC001436006871 1065104950 /nfs/dbraw/zinc/10/49/50/1065104950.db2.gz BUEVGDHBBNRNQG-DEOSSOPVSA-N 0 0 454.958 4.562 20 0 JJADRN CC(C)NC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001360261298 1065105131 /nfs/dbraw/zinc/10/51/31/1065105131.db2.gz FJNLVECMEJFCAE-SFHVURJKSA-N 0 0 493.574 4.878 20 0 JJADRN CC(C)NC(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360261498 1065105641 /nfs/dbraw/zinc/10/56/41/1065105641.db2.gz JZFKHPYYXBQBNU-KRWDZBQOSA-N 0 0 476.046 4.589 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(I)c(Cl)c1 ZINC001360262936 1065107168 /nfs/dbraw/zinc/10/71/68/1065107168.db2.gz YXYABHVLJRGQAY-UHFFFAOYSA-N 0 0 457.695 4.788 20 0 JJADRN CCCN(C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)CC(=O)Nc1ccccc1 ZINC001436009666 1065107221 /nfs/dbraw/zinc/10/72/21/1065107221.db2.gz SRHIGHLPDQZKKY-DYRZZGSRSA-N 0 0 457.615 4.680 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccncc1 ZINC001436010314 1065107861 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JJADRN O=C(Nc1ccc2c(c1)CCCO2)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001360264620 1065109195 /nfs/dbraw/zinc/10/91/95/1065109195.db2.gz SYTGHVHGFGDOCP-IBGZPJMESA-N 0 0 459.340 4.514 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc2sc(Br)cc2s1 ZINC001436011973 1065109283 /nfs/dbraw/zinc/10/92/83/1065109283.db2.gz IOBBQSQRSSIEPV-UHFFFAOYSA-N 0 0 457.440 4.874 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1csc(-c2ncccc2F)n1 ZINC001360266540 1065110165 /nfs/dbraw/zinc/11/01/65/1065110165.db2.gz CGHYXIXGINYGLQ-UHFFFAOYSA-N 0 0 453.520 4.570 20 0 JJADRN Cc1cncc(N(Cc2ccccc2Br)C(=O)CN(C)C(=O)c2cccs2)c1 ZINC001436013909 1065111453 /nfs/dbraw/zinc/11/14/53/1065111453.db2.gz OPXUFUNIYBXXBN-UHFFFAOYSA-N 0 0 458.381 4.519 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC001360268049 1065111570 /nfs/dbraw/zinc/11/15/70/1065111570.db2.gz PJBNBHZRUCKJBK-SFHVURJKSA-N 0 0 459.550 4.825 20 0 JJADRN CC(C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360269807 1065112201 /nfs/dbraw/zinc/11/22/01/1065112201.db2.gz WSMVMXIGQSVTBG-KRWDZBQOSA-N 0 0 480.440 4.871 20 0 JJADRN CC(C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360269485 1065112292 /nfs/dbraw/zinc/11/22/92/1065112292.db2.gz LXUBPOHCHVPQRV-UHFFFAOYSA-N 0 0 499.700 4.853 20 0 JJADRN COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1OC1CCCC1 ZINC001360271131 1065112827 /nfs/dbraw/zinc/11/28/27/1065112827.db2.gz PMHYLRCUFPKEMM-UHFFFAOYSA-N 0 0 451.542 4.817 20 0 JJADRN Cc1ccc(C(=O)NCCCNC(=O)/C=C/c2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001436014242 1065112850 /nfs/dbraw/zinc/11/28/50/1065112850.db2.gz ROILNNKJPBLXDC-JQIJEIRASA-N 0 0 456.546 4.589 20 0 JJADRN COc1ccc2c(CC(=O)NCc3ccc(I)cc3Cl)coc2c1 ZINC001436014823 1065113596 /nfs/dbraw/zinc/11/35/96/1065113596.db2.gz XDANFZIPWGVXTA-UHFFFAOYSA-N 0 0 455.679 4.558 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360273682 1065114284 /nfs/dbraw/zinc/11/42/84/1065114284.db2.gz BAADXVRWAMSEDA-INIZCTEOSA-N 0 0 498.416 4.884 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2cc(OC)cc(OC)c2C)cc1OCC ZINC001436015782 1065114398 /nfs/dbraw/zinc/11/43/98/1065114398.db2.gz WNOCRLKQAABOBX-UHFFFAOYSA-N 0 0 452.345 4.753 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCSC1 ZINC001360273810 1065114427 /nfs/dbraw/zinc/11/44/27/1065114427.db2.gz JCRBEOKQJJZMFY-OAHLLOKOSA-N 0 0 478.087 4.917 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCSC1(C)C ZINC001360274046 1065115163 /nfs/dbraw/zinc/11/51/63/1065115163.db2.gz HLGYXKBXBSKMKC-GOSISDBHSA-N 0 0 475.728 4.768 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C(F)(F)C12CCC2 ZINC001360274838 1065115209 /nfs/dbraw/zinc/11/52/09/1065115209.db2.gz TWDMQTDIKUDJAG-MRXNPFEDSA-N 0 0 472.367 4.648 20 0 JJADRN Cc1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1Br ZINC001436016863 1065115113 /nfs/dbraw/zinc/11/51/13/1065115113.db2.gz DUUPMRUBBNIVMC-QGOAFFKASA-N 0 0 450.296 4.641 20 0 JJADRN Cc1c(C(=O)Nc2cccc(C)c2Br)nnn1-c1ccccc1Br ZINC001436016931 1065115234 /nfs/dbraw/zinc/11/52/34/1065115234.db2.gz FHFLYEWAQKSRQP-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)cc2CN1C(=O)OC(C)(C)C ZINC001436017777 1065115727 /nfs/dbraw/zinc/11/57/27/1065115727.db2.gz ZKVYUIXBBMRXPA-VGOFRKELSA-N 0 0 452.599 4.856 20 0 JJADRN CN(CCCOCc1ccccc1)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001436017545 1065115746 /nfs/dbraw/zinc/11/57/46/1065115746.db2.gz RTPAZVSTQVDTEO-UHFFFAOYSA-N 0 0 452.864 4.618 20 0 JJADRN CCOCCC1(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCCC1 ZINC001360275254 1065115861 /nfs/dbraw/zinc/11/58/61/1065115861.db2.gz AVTWUSACHNGIEK-UHFFFAOYSA-N 0 0 451.354 4.961 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc(Br)s1 ZINC001436019164 1065116521 /nfs/dbraw/zinc/11/65/21/1065116521.db2.gz JRUDVULZNQRSTC-AWEZNQCLSA-N 0 0 451.264 4.728 20 0 JJADRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC001436019580 1065116628 /nfs/dbraw/zinc/11/66/28/1065116628.db2.gz LBWFGKKPIABPOX-UHFFFAOYSA-N 0 0 450.297 4.805 20 0 JJADRN Cc1ccc(Br)nc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001360275523 1065116651 /nfs/dbraw/zinc/11/66/51/1065116651.db2.gz NEIDYULXQIJLQE-UHFFFAOYSA-N 0 0 454.147 4.686 20 0 JJADRN COc1ccc(NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)cc1NC(=O)C1CCCCC1 ZINC001360276051 1065117308 /nfs/dbraw/zinc/11/73/08/1065117308.db2.gz XICBPXXUGSARSC-UHFFFAOYSA-N 0 0 459.587 4.848 20 0 JJADRN COc1ccc(NC(=O)c2ccnc(OCC(F)(F)F)c2)cc1NC(=O)C1CCCCC1 ZINC001360275873 1065117312 /nfs/dbraw/zinc/11/73/12/1065117312.db2.gz VDVFETLSJOJUQE-UHFFFAOYSA-N 0 0 451.445 4.802 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)c2nc1C ZINC001360275934 1065117354 /nfs/dbraw/zinc/11/73/54/1065117354.db2.gz WEIWXZMQJOXUHS-UHFFFAOYSA-N 0 0 458.316 4.919 20 0 JJADRN COc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c(OC(F)F)c1 ZINC001360276256 1065118041 /nfs/dbraw/zinc/11/80/41/1065118041.db2.gz ZZSZNWQFPNLNLS-UHFFFAOYSA-N 0 0 456.268 4.830 20 0 JJADRN Cc1nc(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)sc1C ZINC001360276258 1065118115 /nfs/dbraw/zinc/11/81/15/1065118115.db2.gz FBWSZQMYSGIKQI-UHFFFAOYSA-N 0 0 459.568 4.569 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)C2(c3ccccc3Br)CC2)[C@@H](C)C1 ZINC001436020822 1065118155 /nfs/dbraw/zinc/11/81/55/1065118155.db2.gz SXASSWPJRRLXLF-SFHVURJKSA-N 0 0 457.412 4.612 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1 ZINC001360276636 1065118162 /nfs/dbraw/zinc/11/81/62/1065118162.db2.gz ORRYIAIPFZZMRJ-QGZVFWFLSA-N 0 0 458.530 4.889 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436021350 1065118236 /nfs/dbraw/zinc/11/82/36/1065118236.db2.gz HENOOZOPEDOVFO-MHZLTWQESA-N 0 0 452.595 4.880 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC001436020924 1065118298 /nfs/dbraw/zinc/11/82/98/1065118298.db2.gz UCGIARGQHZSHJC-UHFFFAOYSA-N 0 0 452.429 4.586 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ncc3cc(Cl)ccn32)c2ccc(OC)cc2OC)cc1 ZINC001360278088 1065118725 /nfs/dbraw/zinc/11/87/25/1065118725.db2.gz CNXPOMZWJPCMRG-JOCHJYFZSA-N 0 0 451.910 4.533 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360277909 1065118745 /nfs/dbraw/zinc/11/87/45/1065118745.db2.gz XQLWJJWZRFQIQV-MRXNPFEDSA-N 0 0 498.416 4.884 20 0 JJADRN CS[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001360278218 1065119269 /nfs/dbraw/zinc/11/92/69/1065119269.db2.gz HCHVJOMJLALTHY-NVXWUHKLSA-N 0 0 453.029 4.569 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)c2ccc(OC)cc2OC)cc1 ZINC001360278278 1065119375 /nfs/dbraw/zinc/11/93/75/1065119375.db2.gz IOJLJYOOSQUVDT-HYBUGGRVSA-N 0 0 451.494 4.623 20 0 JJADRN COc1ccc([C@@H](NC(=O)COc2cccc3cccnc32)c2ccc(OC)cc2OC)cc1 ZINC001360278265 1065119411 /nfs/dbraw/zinc/11/94/11/1065119411.db2.gz HXXGFZICYLFYPJ-AREMUKBSSA-N 0 0 458.514 4.545 20 0 JJADRN COc1ccc([C@H](NC(=O)COCc2cccc(Cl)c2)c2ccc(OC)cc2OC)cc1 ZINC001360278222 1065119484 /nfs/dbraw/zinc/11/94/84/1065119484.db2.gz HCLHSJXUTMYIDU-VWLOTQADSA-N 0 0 455.938 4.788 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001436022470 1065119457 /nfs/dbraw/zinc/11/94/57/1065119457.db2.gz MTBSZGTVUGJBPZ-IATMXGELSA-N 0 0 456.558 4.582 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)c2ccc(OC)cc2OC)cc1 ZINC001360278783 1065120250 /nfs/dbraw/zinc/12/02/50/1065120250.db2.gz QJCLQIHHHBLCBV-KNQAVFIVSA-N 0 0 454.548 4.540 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)C[C@H]3CCC4(CCOCC4)CO3)nc21 ZINC001436023831 1065120854 /nfs/dbraw/zinc/12/08/54/1065120854.db2.gz ZMKWZQJIHJAFAH-OAHLLOKOSA-N 0 0 453.402 4.926 20 0 JJADRN Cc1ccc([C@@H]2COCCN2C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)o1 ZINC001360279021 1065120869 /nfs/dbraw/zinc/12/08/69/1065120869.db2.gz UGTWBQYTBBJWNM-QFIPXVFZSA-N 0 0 454.567 4.755 20 0 JJADRN C[C@@H]1CC(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC001436023855 1065120974 /nfs/dbraw/zinc/12/09/74/1065120974.db2.gz SYEHSLAKFRGKAM-SPYBWZPUSA-N 0 0 458.521 4.981 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360280313 1065121478 /nfs/dbraw/zinc/12/14/78/1065121478.db2.gz AXHBDEZSTCIDSI-HKUYNNGSSA-N 0 0 485.982 4.852 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C)c1Br ZINC001436025250 1065121469 /nfs/dbraw/zinc/12/14/69/1065121469.db2.gz WQVDCNAKUVJENI-QVKFZJNVSA-N 0 0 456.340 4.668 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC001436025631 1065122221 /nfs/dbraw/zinc/12/22/21/1065122221.db2.gz ODCQQRLJDNJZHT-UHFFFAOYSA-N 0 0 456.269 4.980 20 0 JJADRN O=C(CCOc1cccc(I)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC001360281261 1065122258 /nfs/dbraw/zinc/12/22/58/1065122258.db2.gz CPEHSCOXZGAMHM-UHFFFAOYSA-N 0 0 453.295 4.638 20 0 JJADRN CCCc1c(C(=O)Nc2cc(OC)c(C)cc2C)nnn1Cc1cccc(Br)c1 ZINC001436026891 1065122796 /nfs/dbraw/zinc/12/27/96/1065122796.db2.gz CFJPAMJDCJGSSA-UHFFFAOYSA-N 0 0 457.372 4.919 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC001545895014 1065122837 /nfs/dbraw/zinc/12/28/37/1065122837.db2.gz LQKFYHLYWOBDAW-GOSISDBHSA-N 0 0 451.939 4.605 20 0 JJADRN CCn1cc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)n1 ZINC001436028004 1065123433 /nfs/dbraw/zinc/12/34/33/1065123433.db2.gz AFEMQRORSHWLCL-KRWDZBQOSA-N 0 0 453.370 4.644 20 0 JJADRN O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436028203 1065123522 /nfs/dbraw/zinc/12/35/22/1065123522.db2.gz HKGXJKOKFVZNLF-HXUWFJFHSA-N 0 0 455.839 4.599 20 0 JJADRN CCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1C(=O)OC ZINC001360283634 1065123505 /nfs/dbraw/zinc/12/35/05/1065123505.db2.gz VZYXJCAFONAUDF-UHFFFAOYSA-N 0 0 454.573 4.932 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3cc(C(C)(C)C)oc3C)c2)cc1 ZINC001360284750 1065123612 /nfs/dbraw/zinc/12/36/12/1065123612.db2.gz KIYCGXBERAPAHY-UHFFFAOYSA-N 0 0 456.564 4.625 20 0 JJADRN CO[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl ZINC001436028645 1065124093 /nfs/dbraw/zinc/12/40/93/1065124093.db2.gz HKLJYSUPZFMSGN-FGZHOGPDSA-N 0 0 458.986 4.718 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001360285245 1065124202 /nfs/dbraw/zinc/12/42/02/1065124202.db2.gz AGBNTSFXSPFYCG-HNAYVOBHSA-N 0 0 478.410 4.530 20 0 JJADRN Cc1ccc2c(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3cccc(F)c3)c[nH]c2c1 ZINC001436029173 1065124737 /nfs/dbraw/zinc/12/47/37/1065124737.db2.gz LZEHZELQWYZTIB-HSZRJFAPSA-N 0 0 451.542 4.979 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001360286883 1065125532 /nfs/dbraw/zinc/12/55/32/1065125532.db2.gz URGRYARMZDUWNZ-UGKGYDQZSA-N 0 0 455.986 4.754 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001360287074 1065125592 /nfs/dbraw/zinc/12/55/92/1065125592.db2.gz ZZRAUTJHZTZPHW-QGZVFWFLSA-N 0 0 457.423 4.821 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001360287085 1065125602 /nfs/dbraw/zinc/12/56/02/1065125602.db2.gz ADAAJJOSXJIAOV-INIZCTEOSA-N 0 0 474.428 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COC/C=C\c2ccccc2)[C@@H](c2cccc(F)c2)C1 ZINC001436030099 1065126071 /nfs/dbraw/zinc/12/60/71/1065126071.db2.gz RRHFKUKDJLOLEJ-JXOZOUPFSA-N 0 0 454.542 4.676 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001360287787 1065126110 /nfs/dbraw/zinc/12/61/10/1065126110.db2.gz YLPDZNRZWCVRPF-ZDUSSCGKSA-N 0 0 492.418 4.557 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC001360288624 1065126681 /nfs/dbraw/zinc/12/66/81/1065126681.db2.gz ZFYPWKQYJXKJLW-UHFFFAOYSA-N 0 0 457.415 4.978 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC001360288543 1065126819 /nfs/dbraw/zinc/12/68/19/1065126819.db2.gz XHRJCLSULOKMSF-UHFFFAOYSA-N 0 0 452.338 4.920 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)CC2=O)cc1F ZINC001436031436 1065127292 /nfs/dbraw/zinc/12/72/92/1065127292.db2.gz PVMPGHUSTYQFSA-IVZQSRNASA-N 0 0 452.423 4.603 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3nn(-c4ccc(Cl)cc4)cc3C)no2)c1 ZINC001436031397 1065127347 /nfs/dbraw/zinc/12/73/47/1065127347.db2.gz VZQQCJWXUYBWAC-UHFFFAOYSA-N 0 0 450.882 4.856 20 0 JJADRN O=C(Cc1cc(F)c(F)cc1F)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360291684 1065127476 /nfs/dbraw/zinc/12/74/76/1065127476.db2.gz PQWDCSIOOSOVAB-UHFFFAOYSA-N 0 0 458.455 4.713 20 0 JJADRN O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360291241 1065127483 /nfs/dbraw/zinc/12/74/83/1065127483.db2.gz LEHJVFYTTWSQHR-UHFFFAOYSA-N 0 0 459.443 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc(OCc4ccccc4)cn3)C2)C1 ZINC001436031993 1065128770 /nfs/dbraw/zinc/12/87/70/1065128770.db2.gz CHMBPGFGYWEEEU-SANMLTNESA-N 0 0 451.567 4.524 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N[C@@H](C)c3cc(OC)c(OC)cc3F)CC2(Cl)Cl)cc1 ZINC001360293922 1065128905 /nfs/dbraw/zinc/12/89/05/1065128905.db2.gz XHYYWOGLJDTTDX-ZSEKCTLFSA-N 0 0 456.341 4.934 20 0 JJADRN O=C(OCc1nc(-c2ccccn2)cs1)c1ccc(I)c(Cl)c1 ZINC001436032703 1065129354 /nfs/dbraw/zinc/12/93/54/1065129354.db2.gz IJVLBMGVPLTRCY-UHFFFAOYSA-N 0 0 456.692 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)cs2)[C@@H](c2ccncc2)C1 ZINC001436032882 1065130033 /nfs/dbraw/zinc/13/00/33/1065130033.db2.gz JCBXGWYOOBCIRE-HXUWFJFHSA-N 0 0 450.564 4.639 20 0 JJADRN CC(C)COc1ccc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cn1 ZINC001360296801 1065130128 /nfs/dbraw/zinc/13/01/28/1065130128.db2.gz XLSYOKZLEPLMTL-SFHVURJKSA-N 0 0 453.461 4.692 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccnc(OC(F)F)c1 ZINC001360296612 1065130216 /nfs/dbraw/zinc/13/02/16/1065130216.db2.gz SYNXDGLYWPKFGM-UHFFFAOYSA-N 0 0 453.232 4.889 20 0 JJADRN CC(C)(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccccc1Br ZINC001436033295 1065130562 /nfs/dbraw/zinc/13/05/62/1065130562.db2.gz KZMBJXDPCJPBPI-HNNXBMFYSA-N 0 0 457.137 4.878 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC001436033411 1065130624 /nfs/dbraw/zinc/13/06/24/1065130624.db2.gz MYZGIZAZDYXCDE-CVDCTZTESA-N 0 0 453.583 4.793 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360297084 1065130743 /nfs/dbraw/zinc/13/07/43/1065130743.db2.gz KAEBVERCNNXDNF-UHFFFAOYSA-N 0 0 459.514 4.974 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CC[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)s2)cc1 ZINC001436034476 1065131519 /nfs/dbraw/zinc/13/15/19/1065131519.db2.gz QTSBIRFQYCJQOV-DEOSSOPVSA-N 0 0 457.596 4.682 20 0 JJADRN CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360297958 1065131608 /nfs/dbraw/zinc/13/16/08/1065131608.db2.gz HICZZWSDPCCTAM-SFHVURJKSA-N 0 0 480.078 4.532 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360297736 1065131673 /nfs/dbraw/zinc/13/16/73/1065131673.db2.gz ZPVCMGCBGPTYOX-UHFFFAOYSA-N 0 0 457.555 4.819 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001360297642 1065131684 /nfs/dbraw/zinc/13/16/84/1065131684.db2.gz YHYLNFDOYBFRDG-WJOKGBTCSA-N 0 0 455.546 4.825 20 0 JJADRN COc1ccc(-c2nccnc2NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1 ZINC001436035011 1065132061 /nfs/dbraw/zinc/13/20/61/1065132061.db2.gz IEOVRCMOMSUDPK-UHFFFAOYSA-N 0 0 451.577 4.813 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)Nc1ncc(C(F)(F)F)cc1Br ZINC001436036211 1065132901 /nfs/dbraw/zinc/13/29/01/1065132901.db2.gz QGLJEMZZASCYLK-UHFFFAOYSA-N 0 0 456.031 4.946 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001360300028 1065133054 /nfs/dbraw/zinc/13/30/54/1065133054.db2.gz CEQARQKZBQLIBH-ROTAYESASA-N 0 0 452.601 4.689 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC001360299994 1065133059 /nfs/dbraw/zinc/13/30/59/1065133059.db2.gz BFYNHCITTMHVPH-PMERELPUSA-N 0 0 459.564 4.568 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cn1c2ccccc2nc1-c1ccccc1)C(C)(C)C ZINC001436038737 1065133376 /nfs/dbraw/zinc/13/33/76/1065133376.db2.gz LECBGEMFEFBGDF-NRFANRHFSA-N 0 0 450.583 4.759 20 0 JJADRN O=C(CCc1c(Cl)cccc1Cl)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC001436038288 1065133396 /nfs/dbraw/zinc/13/33/96/1065133396.db2.gz QBMGDTVVQLDANH-UHFFFAOYSA-N 0 0 459.171 4.559 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1Br ZINC001436038566 1065133473 /nfs/dbraw/zinc/13/34/73/1065133473.db2.gz SFVYDPFIADDUIN-FQEVSTJZSA-N 0 0 455.352 4.569 20 0 JJADRN Cc1cc(C)c(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c(C)c1Br ZINC001436039245 1065134293 /nfs/dbraw/zinc/13/42/93/1065134293.db2.gz RXFGWIMWZDBVLS-QGZVFWFLSA-N 0 0 455.437 4.972 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 ZINC001360301897 1065134414 /nfs/dbraw/zinc/13/44/14/1065134414.db2.gz KWUPENQFYNLHSV-UHFFFAOYSA-N 0 0 486.407 4.818 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC001360302396 1065134965 /nfs/dbraw/zinc/13/49/65/1065134965.db2.gz BYIXRZMLIAPZKE-SFTDATJTSA-N 0 0 459.612 4.575 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001360303839 1065136368 /nfs/dbraw/zinc/13/63/68/1065136368.db2.gz ADQGQXKVEQWDMC-APWZRJJASA-N 0 0 496.578 4.601 20 0 JJADRN COc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(OC)c(C)c1OC ZINC001436042416 1065136518 /nfs/dbraw/zinc/13/65/18/1065136518.db2.gz VFRNBIYZDUSMGD-UHFFFAOYSA-N 0 0 450.520 4.582 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(C)C)C2)cc1 ZINC001360304426 1065137230 /nfs/dbraw/zinc/13/72/30/1065137230.db2.gz JODQTGGWKCTEJQ-HSZRJFAPSA-N 0 0 475.641 4.715 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCC(C(=O)C(F)(F)F)CC3)nnc2C(C)(C)C)cc1 ZINC001360304128 1065137236 /nfs/dbraw/zinc/13/72/36/1065137236.db2.gz FSPXMRYIGVGMQW-UHFFFAOYSA-N 0 0 494.562 4.502 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(F)F)C2)cc1 ZINC001360304256 1065137300 /nfs/dbraw/zinc/13/73/00/1065137300.db2.gz HHLGVLSXDNRQHL-GOSISDBHSA-N 0 0 462.589 4.926 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@H]1CC(c2ccccn2)=NO1 ZINC001436042943 1065137305 /nfs/dbraw/zinc/13/73/05/1065137305.db2.gz XRSRGNAWGSHJGN-HXUWFJFHSA-N 0 0 456.271 4.907 20 0 JJADRN Cc1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)cc1NC(=O)Nc1ccccc1 ZINC001436042634 1065137331 /nfs/dbraw/zinc/13/73/31/1065137331.db2.gz BCXFDBMCYJXVRU-UHFFFAOYSA-N 0 0 458.440 4.905 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc1 ZINC001436043278 1065137869 /nfs/dbraw/zinc/13/78/69/1065137869.db2.gz HXQLVGHOJMCRBX-NRFANRHFSA-N 0 0 455.555 4.648 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)[C@@H](C)C2CC2)c(OC)c1 ZINC001436043478 1065137878 /nfs/dbraw/zinc/13/78/78/1065137878.db2.gz GUJRDVHKHHVICT-INIZCTEOSA-N 0 0 455.555 4.887 20 0 JJADRN COc1ccc(CN(C(=O)Cc2cc(Br)ccc2F)[C@@H](C)C2CC2)c(OC)c1 ZINC001436043475 1065138058 /nfs/dbraw/zinc/13/80/58/1065138058.db2.gz GUDPQLGSEUNCQI-AWEZNQCLSA-N 0 0 450.348 4.975 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCCC2(C)C)cc1 ZINC001360304831 1065138645 /nfs/dbraw/zinc/13/86/45/1065138645.db2.gz QWLRCAXFAJAFDZ-UHFFFAOYSA-N 0 0 452.628 4.887 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2c(C)nc(-c3ccco3)nc2SC)c(OC)c1 ZINC001436043608 1065138587 /nfs/dbraw/zinc/13/85/87/1065138587.db2.gz ZNBQWCYSLOZYAJ-UHFFFAOYSA-N 0 0 453.564 4.837 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccncc3OCC(F)(F)F)s2)cc1 ZINC001436043577 1065138680 /nfs/dbraw/zinc/13/86/80/1065138680.db2.gz HMAGZCKNWHCZCF-UHFFFAOYSA-N 0 0 451.470 4.783 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cnn(-c4ccc(F)cc4F)c3C)CC2)c1 ZINC001436044661 1065139365 /nfs/dbraw/zinc/13/93/65/1065139365.db2.gz YEZCTSFGMKBFGH-UHFFFAOYSA-N 0 0 459.468 4.577 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)[C@@H](C)C2CC2)c(OC)c1 ZINC001436044589 1065139406 /nfs/dbraw/zinc/13/94/06/1065139406.db2.gz NLKFCTDHXQYCRX-INIZCTEOSA-N 0 0 455.555 4.887 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)[C@H](C)C2CC2)c(OC)c1 ZINC001436044590 1065139425 /nfs/dbraw/zinc/13/94/25/1065139425.db2.gz NLKFCTDHXQYCRX-MRXNPFEDSA-N 0 0 455.555 4.887 20 0 JJADRN CC1(C)C[C@H](C(=O)NCc2ccc(I)c(Cl)c2)c2ccccc2O1 ZINC001436045596 1065140599 /nfs/dbraw/zinc/14/05/99/1065140599.db2.gz KNLUTFWUPYGECS-AWEZNQCLSA-N 0 0 455.723 4.906 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1cc(-c2ccc(F)cc2)no1 ZINC001436045406 1065140719 /nfs/dbraw/zinc/14/07/19/1065140719.db2.gz IDHRAYVFOAFDND-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c(C)c1 ZINC001436045480 1065140781 /nfs/dbraw/zinc/14/07/81/1065140781.db2.gz JSCOSIDHIXKANI-HSZRJFAPSA-N 0 0 456.901 4.671 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)c1cc(Br)cc(I)c1)CCC2 ZINC001360305808 1065141293 /nfs/dbraw/zinc/14/12/93/1065141293.db2.gz FXDDJMOLPHXCNQ-UHFFFAOYSA-N 0 0 456.121 4.955 20 0 JJADRN O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccc(I)c(Cl)c1 ZINC001436046578 1065141190 /nfs/dbraw/zinc/14/11/90/1065141190.db2.gz YLKDEXKYOSSYEI-UHFFFAOYSA-N 0 0 459.114 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2cccc(OCCc3ccccc3)c2)C1 ZINC001436046626 1065141306 /nfs/dbraw/zinc/14/13/06/1065141306.db2.gz DBHXDOWHEJSVBV-KDYSTLNUSA-N 0 0 466.578 4.520 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCCc3ccc(C)cc31)C2 ZINC001360305849 1065141313 /nfs/dbraw/zinc/14/13/13/1065141313.db2.gz HZQGHLLJHVJLLX-OAQYLSRUSA-N 0 0 452.551 4.658 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001436047551 1065141803 /nfs/dbraw/zinc/14/18/03/1065141803.db2.gz DZWYWZOPFQYWJL-UHFFFAOYSA-N 0 0 454.155 4.538 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1CCC(c2ccccc2)CC1 ZINC001436047358 1065141880 /nfs/dbraw/zinc/14/18/80/1065141880.db2.gz BUAJYFSKRIPANM-UHFFFAOYSA-N 0 0 453.384 4.962 20 0 JJADRN CCCCC[C@H](CC)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049373 1065143068 /nfs/dbraw/zinc/14/30/68/1065143068.db2.gz ZVLJFSWEBXZGED-ICSRJNTNSA-N 0 0 456.412 4.978 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC001360307476 1065143111 /nfs/dbraw/zinc/14/31/11/1065143111.db2.gz QLURVSLQVWPBOD-UHFFFAOYSA-N 0 0 455.518 4.821 20 0 JJADRN CCCCC[C@@H](CC)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049377 1065144214 /nfs/dbraw/zinc/14/42/14/1065144214.db2.gz ZVLJFSWEBXZGED-UYAOXDASSA-N 0 0 456.412 4.978 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1OC ZINC001360309081 1065144530 /nfs/dbraw/zinc/14/45/30/1065144530.db2.gz XLUCNVVLTLRYRU-CYBMUJFWSA-N 0 0 451.420 4.847 20 0 JJADRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001436050980 1065144666 /nfs/dbraw/zinc/14/46/66/1065144666.db2.gz QRHLYDRMGINMGE-BMLIUANNSA-N 0 0 450.766 4.530 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC001436051424 1065145277 /nfs/dbraw/zinc/14/52/77/1065145277.db2.gz DDFJMVWMKCDSSM-SFHVURJKSA-N 0 0 457.415 4.686 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001360310258 1065147158 /nfs/dbraw/zinc/14/71/58/1065147158.db2.gz AAIBFAMBZFGKQT-UHFFFAOYSA-N 0 0 456.905 4.604 20 0 JJADRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001436053615 1065147431 /nfs/dbraw/zinc/14/74/31/1065147431.db2.gz NWIFYWBALRPDKO-LEWJYISDSA-N 0 0 454.368 4.936 20 0 JJADRN CCc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)OC)c2c(CC(C)(C)C)noc2n1 ZINC001436053944 1065147530 /nfs/dbraw/zinc/14/75/30/1065147530.db2.gz ROYATSXBQWMRJU-UHFFFAOYSA-N 0 0 451.567 4.968 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC001436054597 1065148119 /nfs/dbraw/zinc/14/81/19/1065148119.db2.gz UWRVBJNOBFJEJT-HXUWFJFHSA-N 0 0 456.999 4.768 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC001360311405 1065148383 /nfs/dbraw/zinc/14/83/83/1065148383.db2.gz UTZMRYCHFMOALY-AWEZNQCLSA-N 0 0 456.470 4.964 20 0 JJADRN C[C@H](CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC001360311406 1065148474 /nfs/dbraw/zinc/14/84/74/1065148474.db2.gz UTZMRYCHFMOALY-CQSZACIVSA-N 0 0 456.470 4.964 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)cc1 ZINC001360311579 1065148482 /nfs/dbraw/zinc/14/84/82/1065148482.db2.gz VDUVXUSJXQZWSM-UHFFFAOYSA-N 0 0 457.534 4.547 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCC3(SC)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436055709 1065148777 /nfs/dbraw/zinc/14/87/77/1065148777.db2.gz MTZUXXMSELYKGG-ISKFKSNPSA-N 0 0 452.620 4.890 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360316946 1065149938 /nfs/dbraw/zinc/14/99/38/1065149938.db2.gz BWFHTEMKBLJQLK-HNAYVOBHSA-N 0 0 455.860 4.808 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001436057439 1065149908 /nfs/dbraw/zinc/14/99/08/1065149908.db2.gz WWIDIFIVFOJYSM-KRWDZBQOSA-N 0 0 453.302 4.895 20 0 JJADRN O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC001436057815 1065149921 /nfs/dbraw/zinc/14/99/21/1065149921.db2.gz LXMWXYNMTPPIKD-UHFFFAOYSA-N 0 0 454.404 4.945 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1-c1ccccc1 ZINC001436057969 1065150438 /nfs/dbraw/zinc/15/04/38/1065150438.db2.gz ZYASZTWAFAKBSK-IBGZPJMESA-N 0 0 453.384 4.902 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CCCC2)cc1 ZINC001436058537 1065150543 /nfs/dbraw/zinc/15/05/43/1065150543.db2.gz ALVLAOAWKSULBV-UHFFFAOYSA-N 0 0 456.608 4.509 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC001436058640 1065150561 /nfs/dbraw/zinc/15/05/61/1065150561.db2.gz XCLDDKNCBFXABI-HXUWFJFHSA-N 0 0 457.368 4.580 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1C(=O)N(C)C(C)C ZINC001436059192 1065150590 /nfs/dbraw/zinc/15/05/90/1065150590.db2.gz LAIARKPAFHWKQH-AWEZNQCLSA-N 0 0 451.336 4.783 20 0 JJADRN C[C@H](CCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC001436059477 1065151141 /nfs/dbraw/zinc/15/11/41/1065151141.db2.gz WAATUARKRHSMMG-LJQANCHMSA-N 0 0 453.583 4.539 20 0 JJADRN COc1ccc(C(C)(C)C(=O)NCc2cc(Br)ccc2OC(F)F)cc1OC ZINC001360318056 1065151992 /nfs/dbraw/zinc/15/19/92/1065151992.db2.gz GLCRHSNZBMVOSH-UHFFFAOYSA-N 0 0 458.299 4.662 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC001436060230 1065151950 /nfs/dbraw/zinc/15/19/50/1065151950.db2.gz IXGGVWUIIBNYIB-HNKPZJSLSA-N 0 0 450.362 4.910 20 0 JJADRN Cc1sc(NC(=O)c2nc(Br)ccc2C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001436060515 1065152031 /nfs/dbraw/zinc/15/20/31/1065152031.db2.gz NYBKSDGGAVVNRN-UHFFFAOYSA-N 0 0 457.353 4.721 20 0 JJADRN O=C(NCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1)c1cccs1 ZINC001436060509 1065152043 /nfs/dbraw/zinc/15/20/43/1065152043.db2.gz NUMUZATVUOPSIP-PKOBYXMFSA-N 0 0 455.377 4.727 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC001436060616 1065152151 /nfs/dbraw/zinc/15/21/51/1065152151.db2.gz QAMGLUHOJVYPHU-IBGZPJMESA-N 0 0 451.567 4.739 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001436060668 1065152631 /nfs/dbraw/zinc/15/26/31/1065152631.db2.gz RVOXDVFBAYJKCP-QGZVFWFLSA-N 0 0 453.539 4.752 20 0 JJADRN COc1ccc(C(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)c(OC2CCCC2)c1 ZINC001360318868 1065152820 /nfs/dbraw/zinc/15/28/20/1065152820.db2.gz XSPAIPFOISNYNG-UHFFFAOYSA-N 0 0 455.576 4.733 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2Cc2ccc(F)cc2F)CCOC1 ZINC001360319565 1065154147 /nfs/dbraw/zinc/15/41/47/1065154147.db2.gz KCNOPUXEKMMFHT-MWTRTKDXSA-N 0 0 462.566 4.904 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)CC2=O)c1 ZINC001436062853 1065154068 /nfs/dbraw/zinc/15/40/68/1065154068.db2.gz XCWPWWGKLYGEBF-AWEZNQCLSA-N 0 0 455.486 4.866 20 0 JJADRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)sc1Br ZINC001436063133 1065154133 /nfs/dbraw/zinc/15/41/33/1065154133.db2.gz LEYCBCAKGUFSJX-FGWVZKOKSA-N 0 0 459.207 4.557 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@](C)(O)c2ccsc2)CCOC1 ZINC001360319733 1065154169 /nfs/dbraw/zinc/15/41/69/1065154169.db2.gz MIFBSSHSVOARCX-RIEVBORMSA-N 0 0 488.629 4.624 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOc3c(Br)cccc32)cc1)OCC(F)(F)F ZINC001436063161 1065154205 /nfs/dbraw/zinc/15/42/05/1065154205.db2.gz MFCPCUKCFHQKJP-UHFFFAOYSA-N 0 0 459.218 4.599 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)CCOC1 ZINC001360319875 1065154845 /nfs/dbraw/zinc/15/48/45/1065154845.db2.gz OCNIXPFTOPGZRM-ZYKLXPEUSA-N 0 0 488.629 4.624 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1Cl ZINC001436063519 1065155072 /nfs/dbraw/zinc/15/50/72/1065155072.db2.gz DRVVYOLMNVZHCN-IINYFYTJSA-N 0 0 450.746 4.865 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(Cl)nc2)CCOC1 ZINC001360320092 1065155530 /nfs/dbraw/zinc/15/55/30/1065155530.db2.gz RTAGJBDVJZXWCP-FYSMJZIKSA-N 0 0 491.970 4.891 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(Cl)nc2)CCOC1 ZINC001360320093 1065155578 /nfs/dbraw/zinc/15/55/78/1065155578.db2.gz RTAGJBDVJZXWCP-GYCJOSAFSA-N 0 0 491.970 4.891 20 0 JJADRN CC(C)(C)c1ncc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC001436065219 1065155854 /nfs/dbraw/zinc/15/58/54/1065155854.db2.gz VLMFHIYSEFDKKR-UHFFFAOYSA-N 0 0 456.589 4.549 20 0 JJADRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 ZINC001436065371 1065155866 /nfs/dbraw/zinc/15/58/66/1065155866.db2.gz VIVFAHVDABDNSE-QFIPXVFZSA-N 0 0 450.901 4.513 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCC2CCOCC2)CCOC1 ZINC001360320164 1065156280 /nfs/dbraw/zinc/15/62/80/1065156280.db2.gz SXQLRRBERKYTDU-BVZFJXPGSA-N 0 0 478.584 4.611 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC001436066216 1065156440 /nfs/dbraw/zinc/15/64/40/1065156440.db2.gz SYWYFMLFRHHHSG-XZOQPEGZSA-N 0 0 454.979 4.841 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Br)cs3)n2CC2(C)CC2)CCOC1 ZINC001360320629 1065157345 /nfs/dbraw/zinc/15/73/45/1065157345.db2.gz CVUBYXSYYVWZIW-HXUWFJFHSA-N 0 0 469.449 4.579 20 0 JJADRN Cc1ccc(F)c(NC(=O)c2ccc(I)cc2F)c1Br ZINC001436069100 1065158016 /nfs/dbraw/zinc/15/80/16/1065158016.db2.gz DASJSVPHLHGNKV-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436068952 1065158100 /nfs/dbraw/zinc/15/81/00/1065158100.db2.gz CPRSQULZPNVNNA-KSFYIVLOSA-N 0 0 459.514 4.970 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(Cl)c(C)cc2Br)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436069896 1065158831 /nfs/dbraw/zinc/15/88/31/1065158831.db2.gz NQYLVMDGSLJCFU-FZKQIMNGSA-N 0 0 458.805 4.624 20 0 JJADRN CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H](C)C(=O)OCC ZINC001436070762 1065158896 /nfs/dbraw/zinc/15/88/96/1065158896.db2.gz RBWQPWNYWZASPM-SFHVURJKSA-N 0 0 453.970 4.925 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436070097 1065158907 /nfs/dbraw/zinc/15/89/07/1065158907.db2.gz PPGABNMLWWAGCR-AOMKIAJQSA-N 0 0 458.967 4.740 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(Cl)c(C)cc2Br)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436069895 1065158932 /nfs/dbraw/zinc/15/89/32/1065158932.db2.gz NQYLVMDGSLJCFU-ACJLOTCBSA-N 0 0 458.805 4.624 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)CCOC1 ZINC001360321723 1065159300 /nfs/dbraw/zinc/15/93/00/1065159300.db2.gz NOYGGCJMBJHKTF-SQJMNOBHSA-N 0 0 458.672 4.832 20 0 JJADRN Cc1ccc([C@H](NC(=O)CSc2ccc3c4c(cccc42)CC3)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436071032 1065159576 /nfs/dbraw/zinc/15/95/76/1065159576.db2.gz WHEVBKGPSSKLRV-CRICUBBOSA-N 0 0 453.629 4.630 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436071366 1065160163 /nfs/dbraw/zinc/16/01/63/1065160163.db2.gz XDDYTYRAGMHIMH-WZOHSFFVSA-N 0 0 451.588 4.720 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCC2([S@@](C)=O)CCC2)c2nc3ccccc3s2)c1 ZINC001436072061 1065160964 /nfs/dbraw/zinc/16/09/64/1065160964.db2.gz PGPRWEDXTAGKDE-OISAQCFMSA-N 0 0 454.617 4.653 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001436072214 1065161047 /nfs/dbraw/zinc/16/10/47/1065161047.db2.gz FNLGHWARYCEUIH-NYDKFZDJSA-N 0 0 451.564 4.517 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360323673 1065161368 /nfs/dbraw/zinc/16/13/68/1065161368.db2.gz GPVBQRNDCGUIRE-MHECFPHRSA-N 0 0 474.602 4.623 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@]2(C)CCCO2)CCOC1 ZINC001360323648 1065161444 /nfs/dbraw/zinc/16/14/44/1065161444.db2.gz GERPWOQLORDJFV-GOTSBHOMSA-N 0 0 482.547 4.543 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC2(C)CC2)CCOC1 ZINC001360323706 1065161453 /nfs/dbraw/zinc/16/14/53/1065161453.db2.gz HAPJKZKPTCEENC-JOCHJYFZSA-N 0 0 470.511 4.913 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)nc1Br ZINC001436073045 1065161675 /nfs/dbraw/zinc/16/16/75/1065161675.db2.gz AQFMGVVPKFVMPM-AWEZNQCLSA-N 0 0 458.125 4.732 20 0 JJADRN Cc1nc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)sc1Cc1ccc(Cl)cc1F ZINC001436073140 1065161834 /nfs/dbraw/zinc/16/18/34/1065161834.db2.gz JOWBYQOQWCWXOY-CYBMUJFWSA-N 0 0 459.930 4.587 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001436072370 1065161846 /nfs/dbraw/zinc/16/18/46/1065161846.db2.gz GOYXXZJVBVUKDS-UHFFFAOYSA-N 0 0 450.103 4.845 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2ccc(F)cc2)CCOC1 ZINC001360324095 1065162259 /nfs/dbraw/zinc/16/22/59/1065162259.db2.gz LURKXJFVECYUCI-JOCHJYFZSA-N 0 0 464.994 4.857 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360323830 1065162283 /nfs/dbraw/zinc/16/22/83/1065162283.db2.gz IFLUENRPSABSBD-QFIPXVFZSA-N 0 0 482.984 4.997 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2ccc(F)cc2)CCOC1 ZINC001360324096 1065162303 /nfs/dbraw/zinc/16/23/03/1065162303.db2.gz LURKXJFVECYUCI-QFIPXVFZSA-N 0 0 464.994 4.857 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(Br)cc1 ZINC001436073690 1065162350 /nfs/dbraw/zinc/16/23/50/1065162350.db2.gz RUUMGNUKVJLYSO-MRXNPFEDSA-N 0 0 458.377 4.914 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001436073890 1065162363 /nfs/dbraw/zinc/16/23/63/1065162363.db2.gz PZPCCQAUXVUELH-JKSUJKDBSA-N 0 0 469.750 4.990 20 0 JJADRN Cc1nc(NC(=O)Cc2nnc(-c3ccccc3)n2C)sc1Cc1ccc(Cl)cc1F ZINC001436074663 1065162858 /nfs/dbraw/zinc/16/28/58/1065162858.db2.gz UTCNUJPXMHORCL-UHFFFAOYSA-N 0 0 455.946 4.812 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC001436074546 1065163047 /nfs/dbraw/zinc/16/30/47/1065163047.db2.gz IGFHBZYEPGTOSO-NRFANRHFSA-N 0 0 454.983 4.963 20 0 JJADRN Cc1nc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)sc1Cc1cccc(Cl)c1F ZINC001436074131 1065163131 /nfs/dbraw/zinc/16/31/31/1065163131.db2.gz AZZYEZSYLVRNPS-UHFFFAOYSA-N 0 0 452.960 4.632 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2CC(F)(F)C2)CCOC1 ZINC001360324354 1065163686 /nfs/dbraw/zinc/16/36/86/1065163686.db2.gz OEAABRBHKXAPPZ-LJQANCHMSA-N 0 0 460.978 4.715 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001360324474 1065163771 /nfs/dbraw/zinc/16/37/71/1065163771.db2.gz WMTZAUZWXXZCOC-UHFFFAOYSA-N 0 0 453.520 4.570 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360324513 1065164190 /nfs/dbraw/zinc/16/41/90/1065164190.db2.gz PMFDOMBZZJKDNT-DQEYMECFSA-N 0 0 477.049 4.550 20 0 JJADRN O=C(NCCCNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(F)cc1 ZINC001360324619 1065164213 /nfs/dbraw/zinc/16/42/13/1065164213.db2.gz XYZUDIKODYDRMU-JOCHJYFZSA-N 0 0 458.505 4.874 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2nc(C(C)C)cs2)CCOC1 ZINC001360324923 1065165679 /nfs/dbraw/zinc/16/56/79/1065165679.db2.gz VBLWHPJGOGFSAR-DEOSSOPVSA-N 0 0 491.608 4.862 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC2(C)CCOCC2)CCOC1 ZINC001360324832 1065165793 /nfs/dbraw/zinc/16/57/93/1065165793.db2.gz SQDNQSYVJAOXGH-XMMPIXPASA-N 0 0 481.012 4.564 20 0 JJADRN Cc1cc(-n2cc(COC(=O)CCc3cc(Cl)ccc3Br)nn2)ccc1F ZINC001436077836 1065165944 /nfs/dbraw/zinc/16/59/44/1065165944.db2.gz HHNJSBZTKYYQCK-UHFFFAOYSA-N 0 0 452.711 4.807 20 0 JJADRN CCc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)cc1S(C)(=O)=O ZINC001436078349 1065165996 /nfs/dbraw/zinc/16/59/96/1065165996.db2.gz PMELJXARYKMHIU-IBGZPJMESA-N 0 0 450.398 4.701 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2C[C@@H]2C)CCOC1 ZINC001360325169 1065166191 /nfs/dbraw/zinc/16/61/91/1065166191.db2.gz ZPTYZBSEUFNIRR-SGXKBVARSA-N 0 0 452.521 4.630 20 0 JJADRN C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)ccc2N1C ZINC001436079966 1065166400 /nfs/dbraw/zinc/16/64/00/1065166400.db2.gz VKNFLCYSCNILOS-LLVKDONJSA-N 0 0 458.305 4.605 20 0 JJADRN Cc1cc(-n2cc(COC(=O)CSc3ccc(Br)cc3C)nn2)ccc1F ZINC001436079718 1065166499 /nfs/dbraw/zinc/16/64/99/1065166499.db2.gz XYBHZNDIEANHKX-UHFFFAOYSA-N 0 0 450.333 4.621 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H]2CCSC2(C)C)CCOC1 ZINC001360325205 1065166887 /nfs/dbraw/zinc/16/68/87/1065166887.db2.gz ZZAXVHSNNBILIW-VGOFRKELSA-N 0 0 450.674 4.548 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3nccs3)n2CC(C)(C)c2ccccc2F)CCOC1 ZINC001360325423 1065166973 /nfs/dbraw/zinc/16/69/73/1065166973.db2.gz FGVHCYGXUAYVBP-DEOSSOPVSA-N 0 0 473.618 4.529 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001436080631 1065167065 /nfs/dbraw/zinc/16/70/65/1065167065.db2.gz BYVGIQMTBDVIPR-INIZCTEOSA-N 0 0 457.361 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001436080205 1065167182 /nfs/dbraw/zinc/16/71/82/1065167182.db2.gz YMIMHXJULHMEPW-HNNXBMFYSA-N 0 0 453.326 4.914 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCC3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360325628 1065167451 /nfs/dbraw/zinc/16/74/51/1065167451.db2.gz JNPVDDGIWUHYAK-VWLOTQADSA-N 0 0 475.703 4.942 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(Oc2ccccc2)cc1 ZINC001436081658 1065167574 /nfs/dbraw/zinc/16/75/74/1065167574.db2.gz CKGJSLRQSVXBMF-NRFANRHFSA-N 0 0 451.320 4.777 20 0 JJADRN CC(C)c1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc2n1 ZINC001436081407 1065167622 /nfs/dbraw/zinc/16/76/22/1065167622.db2.gz BEMVRFAFBOJQBL-HXUWFJFHSA-N 0 0 452.352 4.656 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2CCOc2ccc(Cl)cc2)CCOC1 ZINC001360325750 1065168219 /nfs/dbraw/zinc/16/82/19/1065168219.db2.gz LFFPPPVEGVXVAA-QFIPXVFZSA-N 0 0 484.975 4.533 20 0 JJADRN C[C@@H](c1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1)C(F)(F)F ZINC001436082150 1065168317 /nfs/dbraw/zinc/16/83/17/1065168317.db2.gz HJVPHURZCZLNGN-SJCJKPOMSA-N 0 0 455.274 4.650 20 0 JJADRN COc1ccc(-c2cc(C(=O)N(C)CCOc3ccccc3C(C)(C)C)nn2C)cc1OC ZINC001436082620 1065168334 /nfs/dbraw/zinc/16/83/34/1065168334.db2.gz UQCRKDNSTWQUHC-UHFFFAOYSA-N 0 0 451.567 4.553 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001436081787 1065168352 /nfs/dbraw/zinc/16/83/52/1065168352.db2.gz DYUUNVAFJFIBOL-DAYGRLMNSA-N 0 0 468.178 4.781 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc21 ZINC001436083731 1065168909 /nfs/dbraw/zinc/16/89/09/1065168909.db2.gz LNLHBERKAFNKET-GOSISDBHSA-N 0 0 454.368 4.726 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc21 ZINC001436083733 1065168955 /nfs/dbraw/zinc/16/89/55/1065168955.db2.gz LNLHBERKAFNKET-SFHVURJKSA-N 0 0 454.368 4.726 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001436083764 1065169586 /nfs/dbraw/zinc/16/95/86/1065169586.db2.gz WECNSDBMSWMOAV-LRDDRELGSA-N 0 0 453.789 4.505 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc21 ZINC001436084057 1065169621 /nfs/dbraw/zinc/16/96/21/1065169621.db2.gz QTAMHWIJMMMDIF-GOSISDBHSA-N 0 0 455.352 4.612 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1CCC(c2ccccc2)CC1 ZINC001360327568 1065169943 /nfs/dbraw/zinc/16/99/43/1065169943.db2.gz YDKHDOFLIAKPPD-UHFFFAOYSA-N 0 0 457.412 4.888 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H]3CCCN(c4ccc(F)cc4C)C3)cc2)c1 ZINC001360326994 1065169951 /nfs/dbraw/zinc/16/99/51/1065169951.db2.gz DHPYURLOOJZTMX-VWLOTQADSA-N 0 0 459.565 4.771 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC001436085090 1065170130 /nfs/dbraw/zinc/17/01/30/1065170130.db2.gz DQBMNMYHGPOAJH-RZUBCFFCSA-N 0 0 455.046 4.859 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC001436084790 1065170265 /nfs/dbraw/zinc/17/02/65/1065170265.db2.gz CEADRTFHDAZSOW-UHFFFAOYSA-N 0 0 454.420 4.849 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360328318 1065170612 /nfs/dbraw/zinc/17/06/12/1065170612.db2.gz DDPFBNVBWFLSOE-MIZPHKNDSA-N 0 0 470.605 4.540 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCCc3ccccc3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001360328212 1065170692 /nfs/dbraw/zinc/17/06/92/1065170692.db2.gz BMMXFYLELMDSNF-DHLKQENFSA-N 0 0 458.672 4.531 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(-n3cccc3)c2)c(Br)c1 ZINC001436086470 1065170779 /nfs/dbraw/zinc/17/07/79/1065170779.db2.gz AGNIAPBQVIKJKT-FQEVSTJZSA-N 0 0 454.368 4.765 20 0 JJADRN COc1cccc(C2(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CCOCC2)c1F ZINC001436086438 1065170908 /nfs/dbraw/zinc/17/09/08/1065170908.db2.gz GWDGWKVPVSSMRS-UHFFFAOYSA-N 0 0 454.523 4.584 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc3c(c2)OCO3)c(Br)c1 ZINC001436087596 1065171481 /nfs/dbraw/zinc/17/14/81/1065171481.db2.gz KOPLGRSROWZBDL-MBNRZODZSA-N 0 0 458.352 4.707 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(Br)cc(I)c2)[C@@H]1C ZINC001436087745 1065171559 /nfs/dbraw/zinc/17/15/59/1065171559.db2.gz TXOIDXZAQCLYSG-UTUOFQBUSA-N 0 0 450.158 4.856 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(Br)cc(I)c2)[C@H]1C ZINC001436087749 1065171618 /nfs/dbraw/zinc/17/16/18/1065171618.db2.gz TXOIDXZAQCLYSG-WOPDTQHZSA-N 0 0 450.158 4.856 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc3c(c2)OCO3)c(Br)c1 ZINC001436087597 1065171649 /nfs/dbraw/zinc/17/16/49/1065171649.db2.gz KOPLGRSROWZBDL-QBUQCISBSA-N 0 0 458.352 4.707 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC3CCOCC3)n2CC(C)(C)c2cccs2)CCOC1 ZINC001360329240 1065171783 /nfs/dbraw/zinc/17/17/83/1065171783.db2.gz UYPUFYIHDYCAEM-RUZDIDTESA-N 0 0 476.687 4.611 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CCOC1 ZINC001360329166 1065171862 /nfs/dbraw/zinc/17/18/62/1065171862.db2.gz SZSRJSNYWWELRH-DEOSSOPVSA-N 0 0 490.435 4.748 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccs3)C(C)C)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360329641 1065172252 /nfs/dbraw/zinc/17/22/52/1065172252.db2.gz BFJPFESBKOAENK-JWQCQUIFSA-N 0 0 476.687 4.736 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2Cc2c(F)cc(F)c(F)c2F)CCOC1 ZINC001360329567 1065172264 /nfs/dbraw/zinc/17/22/64/1065172264.db2.gz ZZKCVWGGTPVNRF-XMMPIXPASA-N 0 0 484.538 4.940 20 0 JJADRN O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1csc(-c2ccc(Br)s2)n1 ZINC001436090161 1065172814 /nfs/dbraw/zinc/17/28/14/1065172814.db2.gz RYLPUMJBGKDCCN-UHFFFAOYSA-N 0 0 450.318 4.811 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360330256 1065173543 /nfs/dbraw/zinc/17/35/43/1065173543.db2.gz IWTZEXZMZJOCNJ-SFYKDHMMSA-N 0 0 470.605 4.538 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccs3)C(C)C)n2C[C@@](C)(O)c2ccccc2)CCOC1 ZINC001360330098 1065173573 /nfs/dbraw/zinc/17/35/73/1065173573.db2.gz HIWJYZOCFSKPCG-CLJLJLNGSA-N 0 0 484.666 4.703 20 0 JJADRN CCO[C@@H](CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC001436090841 1065174110 /nfs/dbraw/zinc/17/41/10/1065174110.db2.gz LJTUMDYQKHZCNA-QFIPXVFZSA-N 0 0 455.601 4.749 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC001360330770 1065174384 /nfs/dbraw/zinc/17/43/84/1065174384.db2.gz PLNARBNBRQACBC-CQSZACIVSA-N 0 0 454.411 4.638 20 0 JJADRN Cc1ccc(NC(=O)c2c3ccc(Br)cc3nn2C)cc1C(=O)N1CCCCC1 ZINC001436092710 1065174692 /nfs/dbraw/zinc/17/46/92/1065174692.db2.gz PHQIQLJZDWLSQN-UHFFFAOYSA-N 0 0 455.356 4.523 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360331531 1065176272 /nfs/dbraw/zinc/17/62/72/1065176272.db2.gz WBOXLDNTHUGWES-FDDCHVKYSA-N 0 0 499.002 4.923 20 0 JJADRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)CCc1cccc(F)c1Br ZINC001436094736 1065176418 /nfs/dbraw/zinc/17/64/18/1065176418.db2.gz GDNJGVFIRPVWTD-INIZCTEOSA-N 0 0 456.359 4.806 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001360332111 1065176890 /nfs/dbraw/zinc/17/68/90/1065176890.db2.gz KXZJMOOGGLRRKQ-YADHBBJMSA-N 0 0 456.608 4.988 20 0 JJADRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)Cc1c(Cl)cccc1Br ZINC001436096205 1065176943 /nfs/dbraw/zinc/17/69/43/1065176943.db2.gz YQCSRCATAZLPFS-OAHLLOKOSA-N 0 0 458.787 4.931 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c1 ZINC001436095150 1065177119 /nfs/dbraw/zinc/17/71/19/1065177119.db2.gz LWDJUCOZCPKRDJ-KRWDZBQOSA-N 0 0 450.970 4.834 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC001360332293 1065177690 /nfs/dbraw/zinc/17/76/90/1065177690.db2.gz RCRXBDIPRYQASP-PMERELPUSA-N 0 0 450.532 4.544 20 0 JJADRN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCCCN1C(=O)c2ccccc2C1=O ZINC001360332507 1065177693 /nfs/dbraw/zinc/17/76/93/1065177693.db2.gz YPOXPAZZNJMOSL-JXMROGBWSA-N 0 0 450.844 4.565 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1 ZINC001360332510 1065177754 /nfs/dbraw/zinc/17/77/54/1065177754.db2.gz YVMBLUQCXONBLF-WJOKGBTCSA-N 0 0 456.633 4.925 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(Br)cc1C ZINC001436097256 1065177810 /nfs/dbraw/zinc/17/78/10/1065177810.db2.gz GPSCYGLDHCDYNM-RYGJVYDSSA-N 0 0 459.384 4.522 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001436097347 1065177818 /nfs/dbraw/zinc/17/78/18/1065177818.db2.gz AKFJWOPPPFXHHQ-UHFFFAOYSA-N 0 0 455.202 4.840 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001360333082 1065178147 /nfs/dbraw/zinc/17/81/47/1065178147.db2.gz FAGVHQGCKKRALH-GOSISDBHSA-N 0 0 450.560 4.537 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC001436098658 1065178400 /nfs/dbraw/zinc/17/84/00/1065178400.db2.gz HHQHMTQMCYIXMI-MRXNPFEDSA-N 0 0 458.381 4.878 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)CCOC1 ZINC001360334003 1065179380 /nfs/dbraw/zinc/17/93/80/1065179380.db2.gz MASHJMZLKDEUBF-SXOMAYOGSA-N 0 0 474.690 4.833 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)CCOC1 ZINC001360334002 1065179453 /nfs/dbraw/zinc/17/94/53/1065179453.db2.gz MASHJMZLKDEUBF-SVBPBHIXSA-N 0 0 474.690 4.833 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436099998 1065179910 /nfs/dbraw/zinc/17/99/10/1065179910.db2.gz CWWZSQDFCZEWIU-UHFFFAOYSA-N 0 0 459.262 4.745 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)c2)cc1 ZINC001360334340 1065180051 /nfs/dbraw/zinc/18/00/51/1065180051.db2.gz VBYSAJIGTLFRIS-HSZRJFAPSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOC1 ZINC001360334713 1065180092 /nfs/dbraw/zinc/18/00/92/1065180092.db2.gz RWIFVZUOFMFPKI-OHHNFCFSSA-N 0 0 476.609 4.943 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@H]2C)CCOC1 ZINC001360335233 1065180528 /nfs/dbraw/zinc/18/05/28/1065180528.db2.gz AQGYEYMRVHTVQT-KKLQWCBXSA-N 0 0 488.595 4.693 20 0 JJADRN CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cnc2ccccc2c1 ZINC001436101630 1065180537 /nfs/dbraw/zinc/18/05/37/1065180537.db2.gz YFNJFPWMWRJDSU-KRWDZBQOSA-N 0 0 452.352 4.792 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](C)N(C)c2ccccc2)CCOC1 ZINC001360335165 1065180625 /nfs/dbraw/zinc/18/06/25/1065180625.db2.gz ZVABLZXSDBFWGX-CYFREDJKSA-N 0 0 493.574 4.542 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001436102260 1065181308 /nfs/dbraw/zinc/18/13/08/1065181308.db2.gz LSLNTBMQCZDCCL-NWSQWKLXSA-N 0 0 457.615 4.586 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1=O ZINC001436103159 1065181340 /nfs/dbraw/zinc/18/13/40/1065181340.db2.gz RITHMUNMIKYFIC-UHFFFAOYSA-N 0 0 452.461 4.707 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360335470 1065182058 /nfs/dbraw/zinc/18/20/58/1065182058.db2.gz FPDJHQZESODPHT-GSHUGGBRSA-N 0 0 453.052 4.759 20 0 JJADRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)cn1 ZINC001436104534 1065182054 /nfs/dbraw/zinc/18/20/54/1065182054.db2.gz LHWNFCZJVQGZKU-MDZDMXLPSA-N 0 0 455.942 4.864 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Cl)nc3C)cc2)c1C(F)(F)F ZINC001436104089 1065182096 /nfs/dbraw/zinc/18/20/96/1065182096.db2.gz DOXNBAKLCNWWFA-UHFFFAOYSA-N 0 0 452.820 4.677 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001360335500 1065182066 /nfs/dbraw/zinc/18/20/66/1065182066.db2.gz FSWBRIRIDAFMPV-XHNVNVPESA-N 0 0 478.584 4.645 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360335589 1065182690 /nfs/dbraw/zinc/18/26/90/1065182690.db2.gz GSKYSLSIIYWGRC-HRAATJIYSA-N 0 0 472.577 4.930 20 0 JJADRN 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1065198556 /nfs/dbraw/zinc/19/85/56/1065198556.db2.gz XIHOAFOXOQWSGF-MRXNPFEDSA-N 0 0 459.468 4.878 20 0 JJADRN CC(=O)N1CCC[C@H](CNC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)C1 ZINC001436125008 1065199256 /nfs/dbraw/zinc/19/92/56/1065199256.db2.gz WFXQBIXOWJSQJQ-CQSZACIVSA-N 0 0 454.423 4.769 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2Cc2cccc(C(C)(F)F)c2)CCOC1 ZINC001360352435 1065199987 /nfs/dbraw/zinc/19/99/87/1065199987.db2.gz QIQGVLVBQRFJGL-HOOSLVGPSA-N 0 0 480.625 4.809 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCSC2(C)C)CCOC1 ZINC001360352348 1065200113 /nfs/dbraw/zinc/20/01/13/1065200113.db2.gz OUGFVVHIOXXGLZ-WYADAEROSA-N 0 0 472.646 4.578 20 0 JJADRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001436125947 1065200067 /nfs/dbraw/zinc/20/00/67/1065200067.db2.gz UEADECJVRKGWNA-HNNXBMFYSA-N 0 0 459.447 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2cc(F)c(Cl)cc2F)C1 ZINC001436125829 1065200210 /nfs/dbraw/zinc/20/02/10/1065200210.db2.gz BULRMGMOHJFPGQ-QZTJIDSGSA-N 0 0 464.940 4.960 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N3CCC[C@H](C(C)C)CC3)cc2OC)cc1 ZINC001360353016 1065200550 /nfs/dbraw/zinc/20/05/50/1065200550.db2.gz BKSVJXSHEJMBPX-IBGZPJMESA-N 0 0 454.567 4.620 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)c1cc(F)ccc1I ZINC001436127313 1065200640 /nfs/dbraw/zinc/20/06/40/1065200640.db2.gz GTVFLZKEKXXXBO-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)C1 ZINC001436128442 1065201398 /nfs/dbraw/zinc/20/13/98/1065201398.db2.gz JUUVWXDVMSENGK-NNTZPNAXSA-N 0 0 458.599 4.558 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001360354051 1065201558 /nfs/dbraw/zinc/20/15/58/1065201558.db2.gz CAVZWRAWTIHIBC-NRFANRHFSA-N 0 0 497.043 4.570 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001436128575 1065201819 /nfs/dbraw/zinc/20/18/19/1065201819.db2.gz PRUBZSBANFFRKD-ZMZPIMSZSA-N 0 0 457.702 4.847 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001436128572 1065201834 /nfs/dbraw/zinc/20/18/34/1065201834.db2.gz PRUBZSBANFFRKD-VOJFVSQTSA-N 0 0 457.702 4.847 20 0 JJADRN COc1ccc(SCCC(=O)N[C@H]2CSc3ccc(Br)cc32)cc1OC ZINC001436128920 1065201857 /nfs/dbraw/zinc/20/18/57/1065201857.db2.gz GXBDLFNXFNWXFN-HNNXBMFYSA-N 0 0 454.411 4.912 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001436128569 1065201967 /nfs/dbraw/zinc/20/19/67/1065201967.db2.gz PRUBZSBANFFRKD-BBATYDOGSA-N 0 0 457.702 4.847 20 0 JJADRN COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2cc(C(F)(F)F)ccc2Br)c1 ZINC001436129828 1065202484 /nfs/dbraw/zinc/20/24/84/1065202484.db2.gz LNGPUSMJEGPMMA-XBXARRHUSA-N 0 0 459.214 4.882 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1cccc2c1CCO2)Nc1cccc(C(F)(F)F)c1 ZINC001436128976 1065202512 /nfs/dbraw/zinc/20/25/12/1065202512.db2.gz VIKRPMPRYLMGDJ-UHFFFAOYSA-N 0 0 456.420 4.910 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2cc(C(F)(F)F)ccc2Br)c1 ZINC001436129831 1065202548 /nfs/dbraw/zinc/20/25/48/1065202548.db2.gz LNGPUSMJEGPMMA-YWEYNIOJSA-N 0 0 459.214 4.882 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC001436129012 1065202641 /nfs/dbraw/zinc/20/26/41/1065202641.db2.gz RNCQMLJTPOTZLV-UHFFFAOYSA-N 0 0 459.109 4.612 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 ZINC001360354277 1065202580 /nfs/dbraw/zinc/20/25/80/1065202580.db2.gz JTUYEBSPLLYNHA-INIZCTEOSA-N 0 0 488.430 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1CCC(C)(F)F ZINC001545895675 1065203216 /nfs/dbraw/zinc/20/32/16/1065203216.db2.gz BWRJPSLADZOHPW-INIZCTEOSA-N 0 0 474.556 4.767 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc2c(cncc2Cl)s1 ZINC001436131654 1065204274 /nfs/dbraw/zinc/20/42/74/1065204274.db2.gz KKCHRAVKEVCWRF-UHFFFAOYSA-N 0 0 453.745 4.528 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC001360354793 1065204373 /nfs/dbraw/zinc/20/43/73/1065204373.db2.gz XCBXHCVMKWTNEG-UPTQXZAWSA-N 0 0 455.628 4.567 20 0 JJADRN O=C(Nc1ccc(Br)cc1OC(F)(F)F)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001436132723 1065204812 /nfs/dbraw/zinc/20/48/12/1065204812.db2.gz TWRQEJDJMALBPP-OLZOCXBDSA-N 0 0 458.230 4.861 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)c2)C1 ZINC001436131946 1065204878 /nfs/dbraw/zinc/20/48/78/1065204878.db2.gz ZEGBZGLOSDTEHK-KSPVPNAGSA-N 0 0 458.599 4.558 20 0 JJADRN O=C([C@@H]1C[C@H]1C(F)(F)F)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001436133124 1065205239 /nfs/dbraw/zinc/20/52/39/1065205239.db2.gz YINDPWCXTWWVQG-BZUAXINKSA-N 0 0 452.336 4.751 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001360355745 1065205263 /nfs/dbraw/zinc/20/52/63/1065205263.db2.gz DVCAJSQEHZYCAS-NRFANRHFSA-N 0 0 453.631 4.512 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001360355671 1065205271 /nfs/dbraw/zinc/20/52/71/1065205271.db2.gz CNHFRFFCDGYTMY-QHCPKHFHSA-N 0 0 499.656 4.849 20 0 JJADRN COc1cc(CCC(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc(OC)c1 ZINC001436133669 1065205335 /nfs/dbraw/zinc/20/53/35/1065205335.db2.gz AGFJVAQYZUNLAB-UHFFFAOYSA-N 0 0 459.296 4.587 20 0 JJADRN Cc1nsc(C)c1C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001436133022 1065205365 /nfs/dbraw/zinc/20/53/65/1065205365.db2.gz VJODQFOISBFFQF-QGZVFWFLSA-N 0 0 455.443 4.939 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001360355670 1065205382 /nfs/dbraw/zinc/20/53/82/1065205382.db2.gz CNHFRFFCDGYTMY-HSZRJFAPSA-N 0 0 499.656 4.849 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CC3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001360355862 1065205813 /nfs/dbraw/zinc/20/58/13/1065205813.db2.gz IBFLRSOCZDEDFB-SFHVURJKSA-N 0 0 484.645 4.516 20 0 JJADRN CCc1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001436134420 1065205861 /nfs/dbraw/zinc/20/58/61/1065205861.db2.gz GMWSGUZGDLFGNW-INIZCTEOSA-N 0 0 450.486 4.721 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360355848 1065206017 /nfs/dbraw/zinc/20/60/17/1065206017.db2.gz HPKNBUMMBCYIBA-HXUWFJFHSA-N 0 0 480.613 4.554 20 0 JJADRN CCc1c(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001436134755 1065206274 /nfs/dbraw/zinc/20/62/74/1065206274.db2.gz JHAROOHXEVYZMO-SFHVURJKSA-N 0 0 451.489 4.758 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)cn1 ZINC001360356467 1065206405 /nfs/dbraw/zinc/20/64/05/1065206405.db2.gz YGKVHQCYFQUDDC-GOSISDBHSA-N 0 0 453.509 4.529 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(F)(F)F)CC2)cn1 ZINC001360356468 1065206520 /nfs/dbraw/zinc/20/65/20/1065206520.db2.gz YGKVHQCYFQUDDC-SFHVURJKSA-N 0 0 453.509 4.529 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)cc1 ZINC001360356337 1065206567 /nfs/dbraw/zinc/20/65/67/1065206567.db2.gz ULEASPYLPORPCU-QHCPKHFHSA-N 0 0 499.656 4.658 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cn1 ZINC001360356508 1065206969 /nfs/dbraw/zinc/20/69/69/1065206969.db2.gz ZPOIDHRIXFLBQB-FQEVSTJZSA-N 0 0 498.672 4.907 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001436135399 1065207140 /nfs/dbraw/zinc/20/71/40/1065207140.db2.gz OIJZSIJBCULDLF-KMWZHLRMSA-N 0 0 458.643 4.860 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C)[C@H]2C)cn1 ZINC001360357043 1065207824 /nfs/dbraw/zinc/20/78/24/1065207824.db2.gz DEOWRCWMZQGDCZ-ZWKOTPCHSA-N 0 0 455.990 4.976 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2Nc2cnn(C)c2)cn1 ZINC001360357192 1065208252 /nfs/dbraw/zinc/20/82/52/1065208252.db2.gz DVMQWBVAENELKQ-UHFFFAOYSA-N 0 0 475.597 4.862 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001436137934 1065208796 /nfs/dbraw/zinc/20/87/96/1065208796.db2.gz LEFUOSCQWJVUML-HXUWFJFHSA-N 0 0 454.514 4.713 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001360357499 1065208793 /nfs/dbraw/zinc/20/87/93/1065208793.db2.gz KIJGPDMNCXBLFT-UHFFFAOYSA-N 0 0 471.646 4.905 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cc(Cl)ccn2)cn1 ZINC001360357720 1065209261 /nfs/dbraw/zinc/20/92/61/1065209261.db2.gz OHYFZOKKRCOBBQ-UHFFFAOYSA-N 0 0 480.975 4.923 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)ccn2)CC1 ZINC001360357872 1065209483 /nfs/dbraw/zinc/20/94/83/1065209483.db2.gz ZWJCQKGGZFFGGZ-HRZAVBMWSA-N 0 0 451.611 4.578 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001360357708 1065209499 /nfs/dbraw/zinc/20/94/99/1065209499.db2.gz NYTZXBDAOPNVCH-FQEVSTJZSA-N 0 0 469.674 4.788 20 0 JJADRN Cc1cc(OC(F)F)c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)s1 ZINC001436139331 1065209770 /nfs/dbraw/zinc/20/97/70/1065209770.db2.gz WMBWCZYDZORTFC-UHFFFAOYSA-N 0 0 459.312 4.909 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC001436139630 1065209800 /nfs/dbraw/zinc/20/98/00/1065209800.db2.gz YXOOSNVXSZWTDV-UHFFFAOYSA-N 0 0 456.340 4.679 20 0 JJADRN COc1cc(NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)ccc1C(F)(F)F ZINC001436139816 1065210386 /nfs/dbraw/zinc/21/03/86/1065210386.db2.gz BJGBNSZMVJKAPK-UHFFFAOYSA-N 0 0 450.457 4.715 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001436141809 1065211255 /nfs/dbraw/zinc/21/12/55/1065211255.db2.gz VVAOJBZNYOIFRQ-INIZCTEOSA-N 0 0 451.445 4.930 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001436141812 1065211333 /nfs/dbraw/zinc/21/13/33/1065211333.db2.gz VVAOJBZNYOIFRQ-MRXNPFEDSA-N 0 0 451.445 4.930 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001360359423 1065211455 /nfs/dbraw/zinc/21/14/55/1065211455.db2.gz CXEDFFVHKIKWAR-FQEVSTJZSA-N 0 0 496.656 4.963 20 0 JJADRN CC(C)(NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC001436142240 1065211976 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CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)CC1=O ZINC001360368622 1065228330 /nfs/dbraw/zinc/22/83/30/1065228330.db2.gz IWYNKICKFGXXQO-LZJCXSABSA-N 0 0 459.631 4.609 20 0 JJADRN CC(C)[C@H](C(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2)[C@@H](C)NC(=O)OC(C)(C)C ZINC001436172692 1065228549 /nfs/dbraw/zinc/22/85/49/1065228549.db2.gz NIVNAKYFKYLLOW-BEFAXECRSA-N 0 0 456.612 4.898 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2scc(C)c2C(=O)OC)cc1OCC ZINC001436173710 1065229125 /nfs/dbraw/zinc/22/91/25/1065229125.db2.gz LNWKPNLKJWGVKL-UHFFFAOYSA-N 0 0 456.358 4.584 20 0 JJADRN O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001436174510 1065229722 /nfs/dbraw/zinc/22/97/22/1065229722.db2.gz NKVJNSZEFFAJTQ-KRWDZBQOSA-N 0 0 454.379 4.587 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccncc2Cl)CCO1 ZINC001360370576 1065229905 /nfs/dbraw/zinc/22/99/05/1065229905.db2.gz OBCOOFIMALUDOS-QFIPXVFZSA-N 0 0 484.044 4.970 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCSC(C)C)CCO1 ZINC001360370857 1065230510 /nfs/dbraw/zinc/23/05/10/1065230510.db2.gz TVPSPYQVNSITIW-HNNXBMFYSA-N 0 0 489.505 4.541 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)CCO1 ZINC001360371220 1065230992 /nfs/dbraw/zinc/23/09/92/1065230992.db2.gz ARJKGKZQARQWEG-IRLDBZIGSA-N 0 0 458.672 4.528 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cccc(C(F)(F)F)n2)CCO1 ZINC001360371053 1065231124 /nfs/dbraw/zinc/23/11/24/1065231124.db2.gz XMYRQPINZRYXOI-KRWDZBQOSA-N 0 0 495.933 4.691 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)CCO1 ZINC001360371058 1065231214 /nfs/dbraw/zinc/23/12/14/1065231214.db2.gz XNWIUBZHDNSWHX-WIYYLYMNSA-N 0 0 475.431 4.694 20 0 JJADRN CC(C)c1nn(C)c2sc(C(=O)N[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc12 ZINC001436178157 1065231431 /nfs/dbraw/zinc/23/14/31/1065231431.db2.gz SCCNQQKKRMDDLJ-OAQYLSRUSA-N 0 0 451.514 4.909 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC001360372111 1065231549 /nfs/dbraw/zinc/23/15/49/1065231549.db2.gz JSPCFEXQHGZNCG-NRFANRHFSA-N 0 0 482.547 4.555 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)COc1ccccc1OCc1ccccc1 ZINC001360371998 1065231588 /nfs/dbraw/zinc/23/15/88/1065231588.db2.gz HFNKVMWAPBNAAR-SANMLTNESA-N 0 0 456.583 4.700 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CSCc1ccc(Br)cc1 ZINC001360372104 1065231603 /nfs/dbraw/zinc/23/16/03/1065231603.db2.gz IFBUDJDTVBQBEO-HXUWFJFHSA-N 0 0 459.450 4.738 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001360371634 1065231633 /nfs/dbraw/zinc/23/16/33/1065231633.db2.gz COTAEWHAZSJVIX-HXUWFJFHSA-N 0 0 454.979 4.795 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)n2)cc1 ZINC001360372400 1065231731 /nfs/dbraw/zinc/23/17/31/1065231731.db2.gz NBVVZGBSHXDXAW-RUZDIDTESA-N 0 0 458.603 4.848 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 ZINC001436179905 1065231919 /nfs/dbraw/zinc/23/19/19/1065231919.db2.gz FWJMMOHBCSLRIB-UHFFFAOYSA-N 0 0 455.289 4.930 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@@H]3CCOC3)o2)cc1 ZINC001436179911 1065232050 /nfs/dbraw/zinc/23/20/50/1065232050.db2.gz GBTRKNYNIVSTGB-NHCUHLMSSA-N 0 0 454.567 4.754 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N[C@@H]1CCCN(c3c(C)cc(Br)cc3C)C1)CC2 ZINC001436181529 1065233301 /nfs/dbraw/zinc/23/33/01/1065233301.db2.gz HULLSMZXTLHGAB-WOJBJXKFSA-N 0 0 457.412 4.890 20 0 JJADRN CC(C)c1ccccc1OCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001360375712 1065233446 /nfs/dbraw/zinc/23/34/46/1065233446.db2.gz PQBQFWHIWDJJKM-UHFFFAOYSA-N 0 0 450.000 4.745 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360376521 1065234983 /nfs/dbraw/zinc/23/49/83/1065234983.db2.gz GLPXZHBWBLTPSW-HNNXBMFYSA-N 0 0 471.465 4.978 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)Nc2c(C)cc(OC)c(C)c2C)nnc1-c1ccccc1 ZINC001436183220 1065235142 /nfs/dbraw/zinc/23/51/42/1065235142.db2.gz SEFHGKUPDSISFU-INIZCTEOSA-N 0 0 454.596 4.817 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001360376449 1065235161 /nfs/dbraw/zinc/23/51/61/1065235161.db2.gz DLSWHARXYAOOCL-UHFFFAOYSA-N 0 0 492.039 4.782 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001360376602 1065235703 /nfs/dbraw/zinc/23/57/03/1065235703.db2.gz IXFQAPRHKMZSGQ-UZUQRXQVSA-N 0 0 483.440 4.841 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)cnn1-c1ccccc1Cl ZINC001436184734 1065236290 /nfs/dbraw/zinc/23/62/90/1065236290.db2.gz ANZYIYSIPVLTCF-HKUYNNGSSA-N 0 0 458.990 4.697 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC001436184917 1065236303 /nfs/dbraw/zinc/23/63/03/1065236303.db2.gz AOUWWHWPZAGALV-QGZVFWFLSA-N 0 0 454.548 4.520 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)nnc1-c1ccccc1 ZINC001436185213 1065236341 /nfs/dbraw/zinc/23/63/41/1065236341.db2.gz DUBXLJPOAYELJA-IPJJNNNSSA-N 0 0 450.608 4.854 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccccn2)CC1 ZINC001360376808 1065236423 /nfs/dbraw/zinc/23/64/23/1065236423.db2.gz ONHMTBUSEBVUSD-UHFFFAOYSA-N 0 0 472.996 4.664 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001436186646 1065236840 /nfs/dbraw/zinc/23/68/40/1065236840.db2.gz IPJNUYZUBLMXSC-UHFFFAOYSA-N 0 0 459.333 4.543 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001436186293 1065236856 /nfs/dbraw/zinc/23/68/56/1065236856.db2.gz CRCLQKPRPOVTNF-UHFFFAOYSA-N 0 0 454.741 4.685 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001545895963 1065236914 /nfs/dbraw/zinc/23/69/14/1065236914.db2.gz IOTPLUHUQOOVIW-IDISGSTGSA-N 0 0 467.658 4.712 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360376914 1065236781 /nfs/dbraw/zinc/23/67/81/1065236781.db2.gz RLDOBJNYMYEAGW-UHFFFAOYSA-N 0 0 492.489 4.645 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCOC1 ZINC001360377096 1065237489 /nfs/dbraw/zinc/23/74/89/1065237489.db2.gz XGDVEKQUKJCDKP-QGZVFWFLSA-N 0 0 483.426 4.915 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001360377174 1065238249 /nfs/dbraw/zinc/23/82/49/1065238249.db2.gz ZKDLWBDYGLJSJG-UHFFFAOYSA-N 0 0 477.447 4.920 20 0 JJADRN CC(C)(C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360378614 1065238638 /nfs/dbraw/zinc/23/86/38/1065238638.db2.gz VPWQOYFDWKBRAF-GOSISDBHSA-N 0 0 455.498 4.574 20 0 JJADRN O=C(CSc1ccccc1C(=O)NCC1(c2ccccn2)CCC1)NCC1CCCCC1 ZINC001436188437 1065238738 /nfs/dbraw/zinc/23/87/38/1065238738.db2.gz JYOFFLCYSABFLJ-UHFFFAOYSA-N 0 0 451.636 4.722 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001436188715 1065238770 /nfs/dbraw/zinc/23/87/70/1065238770.db2.gz PADJDLZTGYONRT-KBOKABMXSA-N 0 0 451.445 4.629 20 0 JJADRN COc1cc(CNC(=O)c2cn(-c3ccccc3)nc2C(C)C)cc(Br)c1OC ZINC001360377791 1065238741 /nfs/dbraw/zinc/23/87/41/1065238741.db2.gz WLHVGFWHVZWPRA-UHFFFAOYSA-N 0 0 458.356 4.705 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1 ZINC001360378938 1065239067 /nfs/dbraw/zinc/23/90/67/1065239067.db2.gz GJHPPXDJMSVYQB-GOSISDBHSA-N 0 0 465.436 4.776 20 0 JJADRN CC(C)OCCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001360378972 1065239089 /nfs/dbraw/zinc/23/90/89/1065239089.db2.gz HHBZRKDDTBBTLZ-JOCHJYFZSA-N 0 0 458.006 4.720 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@H]1C ZINC001360379010 1065239296 /nfs/dbraw/zinc/23/92/96/1065239296.db2.gz IDGBBVMBJFPNMC-OAHLLOKOSA-N 0 0 471.440 4.994 20 0 JJADRN O=C(NCC1(c2ccccn2)CCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001436189424 1065239681 /nfs/dbraw/zinc/23/96/81/1065239681.db2.gz SXZFOMHLWOYOBX-UHFFFAOYSA-N 0 0 452.908 4.603 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC001436189252 1065239783 /nfs/dbraw/zinc/23/97/83/1065239783.db2.gz GNHASQRJUWPCKU-LBPRGKRZSA-N 0 0 457.340 4.683 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360379236 1065239835 /nfs/dbraw/zinc/23/98/35/1065239835.db2.gz PSUPYLZFYWPLQO-HXUWFJFHSA-N 0 0 489.636 4.983 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379309 1065239913 /nfs/dbraw/zinc/23/99/13/1065239913.db2.gz SEXYCTZWVYHAKV-NRFANRHFSA-N 0 0 465.573 4.784 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360379235 1065239952 /nfs/dbraw/zinc/23/99/52/1065239952.db2.gz PSUPYLZFYWPLQO-FQEVSTJZSA-N 0 0 489.636 4.983 20 0 JJADRN O=C(Cc1ccc(I)c(Br)c1)Oc1ccc2cc[nH]c2c1 ZINC001436190432 1065240270 /nfs/dbraw/zinc/24/02/70/1065240270.db2.gz HJHIZOKQAZFATN-UHFFFAOYSA-N 0 0 456.077 4.683 20 0 JJADRN CC(C)(C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccc2c(c1)OCO2 ZINC001436190398 1065240295 /nfs/dbraw/zinc/24/02/95/1065240295.db2.gz GKHQLABBKQNJCD-UHFFFAOYSA-N 0 0 454.876 4.714 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2c3ccccc3nc3c2CCCCC3)c1Br ZINC001436190236 1065240429 /nfs/dbraw/zinc/24/04/29/1065240429.db2.gz NKYKPTPTGBMLKV-UHFFFAOYSA-N 0 0 452.352 4.878 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360379428 1065240351 /nfs/dbraw/zinc/24/03/51/1065240351.db2.gz WLOOWEMXGXFYBU-HXUWFJFHSA-N 0 0 486.661 4.675 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001360379799 1065241064 /nfs/dbraw/zinc/24/10/64/1065241064.db2.gz GFWGQJAUCXCBHK-IBGZPJMESA-N 0 0 478.584 4.703 20 0 JJADRN CC(C)OCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001360380302 1065241444 /nfs/dbraw/zinc/24/14/44/1065241444.db2.gz SGYATHTZFIQELZ-UHFFFAOYSA-N 0 0 468.646 4.931 20 0 JJADRN CC(C)OCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001360380117 1065241601 /nfs/dbraw/zinc/24/16/01/1065241601.db2.gz NQXHCUYSWJWQAJ-JOCHJYFZSA-N 0 0 469.678 4.530 20 0 JJADRN CC(C)OCCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360380334 1065241647 /nfs/dbraw/zinc/24/16/47/1065241647.db2.gz SXDLBSYLRDUVAV-NRFANRHFSA-N 0 0 490.530 4.537 20 0 JJADRN COc1cc(NC(=O)c2sccc2-c2ccc(C)cc2)ccc1S(=O)(=O)N1CCCC1 ZINC001360380665 1065242064 /nfs/dbraw/zinc/24/20/64/1065242064.db2.gz CIIUBWIPZKDDCC-UHFFFAOYSA-N 0 0 456.589 4.769 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001360380432 1065242073 /nfs/dbraw/zinc/24/20/73/1065242073.db2.gz WBMCXZLORWHXKV-VXKWHMMOSA-N 0 0 464.557 4.581 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H]2CSc3ccccc32)C1=O ZINC001436193750 1065242294 /nfs/dbraw/zinc/24/22/94/1065242294.db2.gz MDOIKCHZVSOZTQ-ZWKOTPCHSA-N 0 0 459.409 4.567 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001360381299 1065242451 /nfs/dbraw/zinc/24/24/51/1065242451.db2.gz CHFQLULGUYHZRH-QGZVFWFLSA-N 0 0 458.400 4.746 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1N1CCCCC1 ZINC001360381465 1065242582 /nfs/dbraw/zinc/24/25/82/1065242582.db2.gz IRELPUBLUIAIBH-UHFFFAOYSA-N 0 0 458.440 4.702 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001545896045 1065243531 /nfs/dbraw/zinc/24/35/31/1065243531.db2.gz KJSATCMFJOCMMR-OAQYLSRUSA-N 0 0 481.689 4.647 20 0 JJADRN CC(C)OCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360382272 1065243787 /nfs/dbraw/zinc/24/37/87/1065243787.db2.gz LHWXDNIFWBCSMA-HXUWFJFHSA-N 0 0 468.520 4.775 20 0 JJADRN CC(C)OCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360382394 1065244069 /nfs/dbraw/zinc/24/40/69/1065244069.db2.gz ODSFCAGXRPXFSN-IAGOWNOFSA-N 0 0 458.500 4.836 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC001436196863 1065244173 /nfs/dbraw/zinc/24/41/73/1065244173.db2.gz SVFMWQJABRMEEP-UHFFFAOYSA-N 0 0 457.340 4.603 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360382722 1065244623 /nfs/dbraw/zinc/24/46/23/1065244623.db2.gz ZRBXWUJHXJRTIF-SFHVURJKSA-N 0 0 495.462 4.829 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001360382684 1065244712 /nfs/dbraw/zinc/24/47/12/1065244712.db2.gz YHJRISPUDSTJEO-HXUWFJFHSA-N 0 0 471.646 4.990 20 0 JJADRN CC(C)OCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C1 ZINC001360382648 1065244777 /nfs/dbraw/zinc/24/47/77/1065244777.db2.gz WXLQJCUPVXQRSJ-SZPZYZBQSA-N 0 0 469.630 4.774 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360383118 1065245388 /nfs/dbraw/zinc/24/53/88/1065245388.db2.gz KTXNOIUXSFDZCB-LVXARBLLSA-N 0 0 491.677 4.562 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F ZINC001360383357 1065245789 /nfs/dbraw/zinc/24/57/89/1065245789.db2.gz QXWAUZCRHSCNKQ-UHFFFAOYSA-N 0 0 464.383 4.669 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1ncc(-c3cccnc3)s1)N2C(=O)OC(C)(C)C ZINC001436199074 1065246232 /nfs/dbraw/zinc/24/62/32/1065246232.db2.gz MJDFMNADBLVJHK-GOSISDBHSA-N 0 0 454.527 4.958 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC(C)(C)OC ZINC001545896059 1065246263 /nfs/dbraw/zinc/24/62/63/1065246263.db2.gz KLOJHUWJOQLLSK-QGZVFWFLSA-N 0 0 476.691 4.585 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001360383627 1065246354 /nfs/dbraw/zinc/24/63/54/1065246354.db2.gz ZMPBZYZJSQVMSV-FUHWJXTLSA-N 0 0 450.425 4.630 20 0 JJADRN CC(C)OCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCC2)C1 ZINC001360383412 1065246421 /nfs/dbraw/zinc/24/64/21/1065246421.db2.gz SAHLLXWKIUBZOV-UHFFFAOYSA-N 0 0 463.420 4.672 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCc2cc(Cl)cc(Br)c21)c1ccc(Cl)cc1 ZINC001436200143 1065246687 /nfs/dbraw/zinc/24/66/87/1065246687.db2.gz AKRIBHRNSCJUCC-KRWDZBQOSA-N 0 0 456.167 4.913 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cnnn3-c3ccccc3Cl)s2)cc1 ZINC001360384087 1065246814 /nfs/dbraw/zinc/24/68/14/1065246814.db2.gz MQJVNOIXNUYIEL-CYBMUJFWSA-N 0 0 453.955 4.852 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCc2cccc(C(F)(F)F)c21 ZINC001436200170 1065246843 /nfs/dbraw/zinc/24/68/43/1065246843.db2.gz AYDWUZCSYWSILC-AWEZNQCLSA-N 0 0 457.539 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001360383899 1065247011 /nfs/dbraw/zinc/24/70/11/1065247011.db2.gz HRAMUCPHFZYOJN-INIZCTEOSA-N 0 0 457.796 4.650 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2N(C)c2ccccc2)CC1 ZINC001360384886 1065247376 /nfs/dbraw/zinc/24/73/76/1065247376.db2.gz IRBNUXMGLJGAGH-JOCHJYFZSA-N 0 0 457.574 4.515 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cc3csc(NC(=O)C(C)C)n3)s2)cc1 ZINC001360384353 1065247400 /nfs/dbraw/zinc/24/74/00/1065247400.db2.gz UNHDGPWEFLMGAA-ZDUSSCGKSA-N 0 0 458.609 4.598 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360385216 1065247573 /nfs/dbraw/zinc/24/75/73/1065247573.db2.gz AFLGGENXUKXSNP-QFIPXVFZSA-N 0 0 481.410 4.669 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545896070 1065249060 /nfs/dbraw/zinc/24/90/60/1065249060.db2.gz KQJWSPAOHXRDDY-HSZRJFAPSA-N 0 0 481.563 4.577 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001436204032 1065249523 /nfs/dbraw/zinc/24/95/23/1065249523.db2.gz FLVOGKMKMLNNAU-AVRDEDQJSA-N 0 0 458.624 4.527 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545896071 1065249535 /nfs/dbraw/zinc/24/95/35/1065249535.db2.gz KQJWSPAOHXRDDY-QHCPKHFHSA-N 0 0 481.563 4.577 20 0 JJADRN C[C@@]1(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1(Br)Br ZINC001436204755 1065249978 /nfs/dbraw/zinc/24/99/78/1065249978.db2.gz ONDFHDHWAACWEK-ZBFHGGJFSA-N 0 0 451.149 4.971 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1CCSC(C)(C)C1 ZINC001360386238 1065250046 /nfs/dbraw/zinc/25/00/46/1065250046.db2.gz VMGULXQWKQHVMI-UHFFFAOYSA-N 0 0 459.479 4.916 20 0 JJADRN CC(C)OCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360386123 1065250163 /nfs/dbraw/zinc/25/01/63/1065250163.db2.gz RAFNSLCUQZZDSK-UHFFFAOYSA-N 0 0 483.613 5.000 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360386160 1065250175 /nfs/dbraw/zinc/25/01/75/1065250175.db2.gz SGMCNAUMVVBAFT-LJQANCHMSA-N 0 0 476.065 4.792 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC2(CCC2)C1 ZINC001360386179 1065250218 /nfs/dbraw/zinc/25/02/18/1065250218.db2.gz SXVBHHCYUCNTHE-UHFFFAOYSA-N 0 0 481.410 4.669 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360386327 1065250422 /nfs/dbraw/zinc/25/04/22/1065250422.db2.gz YNDJLDXLEAFNDE-UHFFFAOYSA-N 0 0 474.049 4.643 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001436205436 1065250460 /nfs/dbraw/zinc/25/04/60/1065250460.db2.gz MEIUPACVZTWXDY-LZJOCLMNSA-N 0 0 451.592 4.966 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360386570 1065250470 /nfs/dbraw/zinc/25/04/70/1065250470.db2.gz ICTPJYGJOBRBGG-NRFANRHFSA-N 0 0 474.955 4.943 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360386551 1065250588 /nfs/dbraw/zinc/25/05/88/1065250588.db2.gz HNKQQKCDFXPNLP-VQTJNVASSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360386357 1065250668 /nfs/dbraw/zinc/25/06/68/1065250668.db2.gz ZZHOSLWZEPBKJZ-HXUWFJFHSA-N 0 0 493.377 4.833 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360386549 1065250715 /nfs/dbraw/zinc/25/07/15/1065250715.db2.gz HNKQQKCDFXPNLP-PMACEKPBSA-N 0 0 463.420 4.671 20 0 JJADRN COC(=O)c1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001436207597 1065251558 /nfs/dbraw/zinc/25/15/58/1065251558.db2.gz JOIPKOSDHBXWQG-UHFFFAOYSA-N 0 0 459.907 4.575 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)c1cc2c(c(Br)c1)OCO2 ZINC001436208473 1065251594 /nfs/dbraw/zinc/25/15/94/1065251594.db2.gz CDXAFDYKEOQXGI-UHFFFAOYSA-N 0 0 450.086 4.741 20 0 JJADRN CCC[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)c1ccccc1 ZINC001436206736 1065251654 /nfs/dbraw/zinc/25/16/54/1065251654.db2.gz WHZWHRFYDCTISD-RXVVDRJESA-N 0 0 457.368 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1OC(F)(F)F ZINC001436209077 1065251990 /nfs/dbraw/zinc/25/19/90/1065251990.db2.gz MDWBOBMUPOUDNA-GOSISDBHSA-N 0 0 450.457 4.850 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NCc3ccncc3OCc3ccccc3)c(=O)oc2c1 ZINC001436209197 1065252010 /nfs/dbraw/zinc/25/20/10/1065252010.db2.gz IBAGYZZVQDZKHK-UHFFFAOYSA-N 0 0 457.530 4.543 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001436208745 1065252258 /nfs/dbraw/zinc/25/22/58/1065252258.db2.gz IMPSAIGDEMJFGT-UHFFFAOYSA-N 0 0 453.327 4.677 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001436209683 1065252706 /nfs/dbraw/zinc/25/27/06/1065252706.db2.gz QWQFOAZHDUNYRM-UUOWRZLLSA-N 0 0 450.579 4.593 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc2cc(Br)cnc21)S(=O)(=O)C1CCCCC1 ZINC001436210649 1065253699 /nfs/dbraw/zinc/25/36/99/1065253699.db2.gz YAVMVGHXUHFGOX-LJQANCHMSA-N 0 0 453.402 4.708 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001436210885 1065253741 /nfs/dbraw/zinc/25/37/41/1065253741.db2.gz XCBNRVSNKGFPRP-OAHLLOKOSA-N 0 0 453.679 4.919 20 0 JJADRN CC(C)OCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360389215 1065253784 /nfs/dbraw/zinc/25/37/84/1065253784.db2.gz GPWDPUVWNAKGQN-WOJBJXKFSA-N 0 0 466.630 4.533 20 0 JJADRN CC(C)OCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360389380 1065253815 /nfs/dbraw/zinc/25/38/15/1065253815.db2.gz KPKMZRNMIWYRMO-RTWAWAEBSA-N 0 0 466.985 4.705 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001360390129 1065254234 /nfs/dbraw/zinc/25/42/34/1065254234.db2.gz FJDUJLWCQQRJRR-YPAWHYETSA-N 0 0 475.678 4.977 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[C@@H]1CCOC1 ZINC001545896134 1065254345 /nfs/dbraw/zinc/25/43/45/1065254345.db2.gz MGNUEBLEKREWGN-RTBURBONSA-N 0 0 488.702 4.587 20 0 JJADRN O=C(NCc1ccncc1OCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001436211206 1065254370 /nfs/dbraw/zinc/25/43/70/1065254370.db2.gz YTNXFRINBAEJBD-IBGZPJMESA-N 0 0 453.336 4.606 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CC[C@@H]1CCOC1 ZINC001545896131 1065254446 /nfs/dbraw/zinc/25/44/46/1065254446.db2.gz MGNUEBLEKREWGN-MOPGFXCFSA-N 0 0 488.702 4.587 20 0 JJADRN CC(C)OCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001360390397 1065254813 /nfs/dbraw/zinc/25/48/13/1065254813.db2.gz LJXSYCVQSOIQNM-PMACEKPBSA-N 0 0 463.667 4.518 20 0 JJADRN O=C(COc1ccc(Br)cc1F)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001436212052 1065254785 /nfs/dbraw/zinc/25/47/85/1065254785.db2.gz CUVGQCJBHSRDAR-LJQANCHMSA-N 0 0 456.739 4.905 20 0 JJADRN NC(=O)c1cc(NC(=O)c2cc(Br)ccc2OC(F)F)c(Cl)cc1Cl ZINC001436212413 1065254869 /nfs/dbraw/zinc/25/48/69/1065254869.db2.gz HLLPJJBVHYPTEF-UHFFFAOYSA-N 0 0 454.054 4.709 20 0 JJADRN COCCCOc1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)cc1OC ZINC001436211760 1065255033 /nfs/dbraw/zinc/25/50/33/1065255033.db2.gz JDNZRSAZEKVWFM-UHFFFAOYSA-N 0 0 452.345 4.913 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OCCCOC)c(OC)c2)c1C(F)F ZINC001436212186 1065255045 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CC(C)OCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360397039 1065261737 /nfs/dbraw/zinc/26/17/37/1065261737.db2.gz DOAGIMRDGFENSB-GOSISDBHSA-N 0 0 469.586 4.562 20 0 JJADRN COCc1nc(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)sc1C(=O)OC ZINC001436221393 1065261875 /nfs/dbraw/zinc/26/18/75/1065261875.db2.gz GPRHBRGELQMXDC-UHFFFAOYSA-N 0 0 458.348 4.759 20 0 JJADRN CC(C)OCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCn1cccn1 ZINC001360397615 1065262202 /nfs/dbraw/zinc/26/22/02/1065262202.db2.gz RCRHQJQWFGSUCS-UHFFFAOYSA-N 0 0 454.575 4.571 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 ZINC001360397527 1065262211 /nfs/dbraw/zinc/26/22/11/1065262211.db2.gz NVGLQUVJSRNXLE-MRXNPFEDSA-N 0 0 471.827 4.791 20 0 JJADRN COc1ccc2c(c1)OCC(C(=O)Nc1ccc3c(c1F)CCN(C(=O)OC(C)(C)C)C3)=C2 ZINC001436221911 1065262316 /nfs/dbraw/zinc/26/23/16/1065262316.db2.gz JBTLAHFXWSAPLY-UHFFFAOYSA-N 0 0 454.498 4.542 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)c1 ZINC001360398175 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477.447 4.776 20 0 JJADRN O=C(Nc1cc(Br)ccn1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436222587 1065263376 /nfs/dbraw/zinc/26/33/76/1065263376.db2.gz MMSSEDRXALELEE-LBPRGKRZSA-N 0 0 457.155 4.642 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)nc1 ZINC001436223012 1065263496 /nfs/dbraw/zinc/26/34/96/1065263496.db2.gz NTMDAFFVSJJYPM-UHFFFAOYSA-N 0 0 450.511 4.858 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC001436222889 1065263538 /nfs/dbraw/zinc/26/35/38/1065263538.db2.gz PTDKUCDXABIWAK-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC001436226078 1065265140 /nfs/dbraw/zinc/26/51/40/1065265140.db2.gz DOROXSYDYWORBL-AZUAARDMSA-N 0 0 454.533 4.574 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C ZINC001436225534 1065265165 /nfs/dbraw/zinc/26/51/65/1065265165.db2.gz XVPLJSIZBOFBFR-UHFFFAOYSA-N 0 0 455.490 4.628 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N(CC(C)C)[C@@H](C)c3ccccc3Cl)CC2=O)c(OC)c1 ZINC001436226264 1065265612 /nfs/dbraw/zinc/26/56/12/1065265612.db2.gz FRPYOFVHYNNIIL-ZWKOTPCHSA-N 0 0 458.986 4.956 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N(CC(C)C)[C@H](C)c3ccccc3Cl)CC2=O)c(OC)c1 ZINC001436226257 1065265648 /nfs/dbraw/zinc/26/56/48/1065265648.db2.gz FRPYOFVHYNNIIL-QZTJIDSGSA-N 0 0 458.986 4.956 20 0 JJADRN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC001436226278 1065265715 /nfs/dbraw/zinc/26/57/15/1065265715.db2.gz FUXWBRBGBNXUEV-QGZVFWFLSA-N 0 0 459.384 4.729 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001360402827 1065265991 /nfs/dbraw/zinc/26/59/91/1065265991.db2.gz PKYMXWOYFOXKHO-IRLDBZIGSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360402828 1065266104 /nfs/dbraw/zinc/26/61/04/1065266104.db2.gz PKYMXWOYFOXKHO-RBBKRZOGSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001360403054 1065266461 /nfs/dbraw/zinc/26/64/61/1065266461.db2.gz QWOGYMDNEIGVHK-NRFANRHFSA-N 0 0 461.651 4.587 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001360403303 1065267231 /nfs/dbraw/zinc/26/72/31/1065267231.db2.gz SDBWIFUJIDIGDS-NNWRFLSQSA-N 0 0 475.678 4.833 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)c2C)C1=O ZINC001436228925 1065267386 /nfs/dbraw/zinc/26/73/86/1065267386.db2.gz YTEJAMXJWZBXTF-UHFFFAOYSA-N 0 0 456.424 4.603 20 0 JJADRN CC(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001360403992 1065267653 /nfs/dbraw/zinc/26/76/53/1065267653.db2.gz ZOPKZLIWVQBKIS-SFHVURJKSA-N 0 0 463.648 4.516 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccccc2Cl)c1 ZINC001360404844 1065267679 /nfs/dbraw/zinc/26/76/79/1065267679.db2.gz CWJHOYQQJMOXCF-OAQYLSRUSA-N 0 0 455.942 4.557 20 0 JJADRN CC(C)OCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001360404418 1065267735 /nfs/dbraw/zinc/26/77/35/1065267735.db2.gz ZERKQSFZLCYWON-UHFFFAOYSA-N 0 0 463.413 4.639 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001436229914 1065268052 /nfs/dbraw/zinc/26/80/52/1065268052.db2.gz NKBXNIQXTSYEKO-AREMUKBSSA-N 0 0 454.014 4.630 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCCN(c2cccc(Cl)c2C)CC1 ZINC001436229815 1065268072 /nfs/dbraw/zinc/26/80/72/1065268072.db2.gz LJOMJMXRAZRGFX-UHFFFAOYSA-N 0 0 455.755 4.911 20 0 JJADRN COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)nc1Cl ZINC001436229548 1065268123 /nfs/dbraw/zinc/26/81/23/1065268123.db2.gz JQHNXZNPCDWTTQ-OAHLLOKOSA-N 0 0 450.288 4.752 20 0 JJADRN Cc1cc(C(F)F)n(CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)n1 ZINC001436230292 1065268795 /nfs/dbraw/zinc/26/87/95/1065268795.db2.gz PIUNGFOUTKPOHD-MRXNPFEDSA-N 0 0 452.855 4.524 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001360406996 1065269219 /nfs/dbraw/zinc/26/92/19/1065269219.db2.gz CNSHJQJOZLHEDD-LGKPFJOYSA-N 0 0 483.657 4.856 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC001436231977 1065269274 /nfs/dbraw/zinc/26/92/74/1065269274.db2.gz KPYGDPNLXFBGRB-SQJMNOBHSA-N 0 0 451.592 4.808 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001360406997 1065269417 /nfs/dbraw/zinc/26/94/17/1065269417.db2.gz CNSHJQJOZLHEDD-XXTHSBEZSA-N 0 0 483.657 4.856 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)c2scc(Br)c2Br)c(F)c1F ZINC001436232539 1065269682 /nfs/dbraw/zinc/26/96/82/1065269682.db2.gz BIPDMCRWKXOJPT-UHFFFAOYSA-N 0 0 455.074 4.729 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001360407244 1065269843 /nfs/dbraw/zinc/26/98/43/1065269843.db2.gz KMBDQONRIYJBOE-CALCHBBNSA-N 0 0 496.027 4.903 20 0 JJADRN Cc1cc(CNC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)cc(NC(=O)OC(C)(C)C)c1 ZINC001436233817 1065270196 /nfs/dbraw/zinc/27/01/96/1065270196.db2.gz GNAAMBJWFJKLND-MRXNPFEDSA-N 0 0 452.477 4.751 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc(C(F)(F)F)cnc1Cl ZINC001436234237 1065270319 /nfs/dbraw/zinc/27/03/19/1065270319.db2.gz WJKUVSBKKBPBGY-UHFFFAOYSA-N 0 0 451.804 4.710 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(S(C)(=O)=O)c1 ZINC001436233775 1065270332 /nfs/dbraw/zinc/27/03/32/1065270332.db2.gz NHYBKANOZDTKHP-UHFFFAOYSA-N 0 0 456.589 4.674 20 0 JJADRN Cc1cc(CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)cc(NC(=O)OC(C)(C)C)c1 ZINC001436233525 1065270347 /nfs/dbraw/zinc/27/03/47/1065270347.db2.gz DMAPDMZZXMFUPX-AREMUKBSSA-N 0 0 451.567 4.653 20 0 JJADRN CC(C)OCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001360407559 1065270888 /nfs/dbraw/zinc/27/08/88/1065270888.db2.gz VSVUNTZEHZZHCW-QHCPKHFHSA-N 0 0 466.630 4.655 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)c1ccccc1 ZINC001360408140 1065270965 /nfs/dbraw/zinc/27/09/65/1065270965.db2.gz IEJXOCDVMSXTGU-FQEVSTJZSA-N 0 0 455.917 4.752 20 0 JJADRN CC(C)OCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360407681 1065270979 /nfs/dbraw/zinc/27/09/79/1065270979.db2.gz ZGYWCQSTFZUPNR-UHFFFAOYSA-N 0 0 469.442 4.672 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2c(C)nn(C)c2Br)c1 ZINC001360408074 1065271024 /nfs/dbraw/zinc/27/10/24/1065271024.db2.gz GSYJLULIEHOAGN-FQEVSTJZSA-N 0 0 456.384 4.830 20 0 JJADRN CC[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCCC1 ZINC001436234838 1065270993 /nfs/dbraw/zinc/27/09/93/1065270993.db2.gz NJNPRRVAONUJDS-GGAORHGYSA-N 0 0 452.599 4.635 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNC(=O)C(=O)c3ccc(OC)c(Cl)c3)cc2)c1 ZINC001436236961 1065271456 /nfs/dbraw/zinc/27/14/56/1065271456.db2.gz RMHXPZSNCXUIOB-UHFFFAOYSA-N 0 0 455.894 4.657 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N[C@@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)c1=O ZINC001360408298 1065271612 /nfs/dbraw/zinc/27/16/12/1065271612.db2.gz KBGJGOKPZMBFEC-DEOSSOPVSA-N 0 0 457.574 4.549 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@H](C)C3CCCC3)nnc2-c2cccnc2)cc1 ZINC001436238719 1065271935 /nfs/dbraw/zinc/27/19/35/1065271935.db2.gz GLITYBSDBIBENG-QGZVFWFLSA-N 0 0 451.596 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001360408798 1065271946 /nfs/dbraw/zinc/27/19/46/1065271946.db2.gz SDYLWKCVMMVTIB-GZRFBZBPSA-N 0 0 455.942 4.786 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)OCc2cccc(-c3ccccn3)c2)=NN1c1ccccc1 ZINC001436238219 1065272092 /nfs/dbraw/zinc/27/20/92/1065272092.db2.gz FGEHFCHSMDSCIQ-DEOSSOPVSA-N 0 0 457.530 4.768 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2ccc(N3CCCCCC3)cc2)cc(C(F)(F)F)c1 ZINC001436245071 1065272964 /nfs/dbraw/zinc/27/29/64/1065272964.db2.gz XUJSZORVVIPOPO-UHFFFAOYSA-N 0 0 455.498 4.846 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCCc3c(F)c(F)c(F)cc32)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001436245269 1065273492 /nfs/dbraw/zinc/27/34/92/1065273492.db2.gz CGPCIUUIHJPTNB-ODXCJYRJSA-N 0 0 457.279 4.910 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C ZINC001436246073 1065273503 /nfs/dbraw/zinc/27/35/03/1065273503.db2.gz LQIUQIODRXJDAN-UHFFFAOYSA-N 0 0 459.289 4.574 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(OC)c2)cn1 ZINC001436247009 1065273621 /nfs/dbraw/zinc/27/36/21/1065273621.db2.gz MWOBMLPHFUECHY-UHFFFAOYSA-N 0 0 459.458 4.967 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC001436246434 1065273689 /nfs/dbraw/zinc/27/36/89/1065273689.db2.gz IXMROWCZXLYBBY-UHFFFAOYSA-N 0 0 458.312 4.599 20 0 JJADRN CC(C)OCCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360409938 1065274017 /nfs/dbraw/zinc/27/40/17/1065274017.db2.gz YPJLUDWRQZBKMY-FCHUYYIVSA-N 0 0 487.664 4.931 20 0 JJADRN CC(C)n1ncc2cc(C(=O)O[C@@H](C)c3ccc(F)c(I)c3)cnc21 ZINC001436247131 1065273973 /nfs/dbraw/zinc/27/39/73/1065273973.db2.gz URIIIUDHIWKBMX-NSHDSACASA-N 0 0 453.255 4.674 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360410965 1065274667 /nfs/dbraw/zinc/27/46/67/1065274667.db2.gz XMDSOCGNJQWONI-UHFFFAOYSA-N 0 0 483.554 4.689 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC001436250754 1065275196 /nfs/dbraw/zinc/27/51/96/1065275196.db2.gz RHRSYTYVYXTPET-IBGZPJMESA-N 0 0 459.608 4.959 20 0 JJADRN CC[C@@H]1CC[C@H](C)N(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2C)C1 ZINC001436250707 1065275236 /nfs/dbraw/zinc/27/52/36/1065275236.db2.gz VNZBCYODBQVUOB-FCHUYYIVSA-N 0 0 472.651 4.935 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(Cl)s2)CC1 ZINC001360413174 1065275703 /nfs/dbraw/zinc/27/57/03/1065275703.db2.gz ONLIKPKCFBMTQB-UHFFFAOYSA-N 0 0 466.095 4.515 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001360412436 1065275814 /nfs/dbraw/zinc/27/58/14/1065275814.db2.gz RDCFYFWPABARDH-UHFFFAOYSA-N 0 0 452.761 4.951 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 ZINC001436254975 1065276192 /nfs/dbraw/zinc/27/61/92/1065276192.db2.gz JHBJKYIFMCUPKV-XJKSGUPXSA-N 0 0 453.276 4.503 20 0 JJADRN COC(=O)Cc1cccc2c(OC(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)cccc12 ZINC001436256448 1065276865 /nfs/dbraw/zinc/27/68/65/1065276865.db2.gz QLLNWTXFPZJJIY-NRFANRHFSA-N 0 0 459.542 4.630 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001436258216 1065277248 /nfs/dbraw/zinc/27/72/48/1065277248.db2.gz XYNBJGUTXOLVAL-SXWKCWPCSA-N 0 0 452.501 4.936 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360415320 1065277444 /nfs/dbraw/zinc/27/74/44/1065277444.db2.gz ZOZMXWDYZAPGSW-GOSISDBHSA-N 0 0 455.352 4.605 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCCC2)C1 ZINC001360415427 1065278034 /nfs/dbraw/zinc/27/80/34/1065278034.db2.gz UVLKULXDGZTJRA-UHFFFAOYSA-N 0 0 452.466 4.958 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC2(CCOCC2)C1 ZINC001360415559 1065278047 /nfs/dbraw/zinc/27/80/47/1065278047.db2.gz YIFGPWHTHIYVHH-UHFFFAOYSA-N 0 0 482.492 4.585 20 0 JJADRN CC(C)SCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360415524 1065278193 /nfs/dbraw/zinc/27/81/93/1065278193.db2.gz XVPASHVXIVVIMQ-OALUTQOASA-N 0 0 491.677 4.830 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001360416371 1065278412 /nfs/dbraw/zinc/27/84/12/1065278412.db2.gz XXULUNMLBPWHSM-MBSDFSHPSA-N 0 0 454.979 4.526 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CCc2ccccc21 ZINC001360416144 1065278637 /nfs/dbraw/zinc/27/86/37/1065278637.db2.gz QPOQCHJZVPESAJ-SANMLTNESA-N 0 0 451.469 4.678 20 0 JJADRN CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001360416567 1065279125 /nfs/dbraw/zinc/27/91/25/1065279125.db2.gz DKZBFSIKJOKUOQ-LJQANCHMSA-N 0 0 461.994 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001545896523 1065279116 /nfs/dbraw/zinc/27/91/16/1065279116.db2.gz UTCACFMMEMZPCJ-SFHVURJKSA-N 0 0 484.645 4.828 20 0 JJADRN C[C@H](NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 ZINC001436261021 1065279160 /nfs/dbraw/zinc/27/91/60/1065279160.db2.gz GHMNNRDDJLWZFQ-HNNXBMFYSA-N 0 0 458.345 4.658 20 0 JJADRN C[C@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)C(=O)NCCc1ccccc1 ZINC001436261123 1065279233 /nfs/dbraw/zinc/27/92/33/1065279233.db2.gz JMDUSBPJHCNABG-IBGZPJMESA-N 0 0 457.549 4.770 20 0 JJADRN CO[C@@H](C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2)c1ccc(Br)s1 ZINC001436263594 1065279314 /nfs/dbraw/zinc/27/93/14/1065279314.db2.gz SHENQLPTELETAM-OAHLLOKOSA-N 0 0 457.415 4.579 20 0 JJADRN CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001360416727 1065279792 /nfs/dbraw/zinc/27/97/92/1065279792.db2.gz JRVZADOOFYHOKV-UHFFFAOYSA-N 0 0 479.119 4.744 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001436265623 1065279988 /nfs/dbraw/zinc/27/99/88/1065279988.db2.gz OSFDNWFGZCNKMU-FQUZAXHOSA-N 0 0 450.579 4.503 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001436264651 1065280095 /nfs/dbraw/zinc/28/00/95/1065280095.db2.gz AZCSNKWGSURTOI-INIZCTEOSA-N 0 0 457.514 4.813 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001360416889 1065280450 /nfs/dbraw/zinc/28/04/50/1065280450.db2.gz CDLOSKDTUGMGBO-UHFFFAOYSA-N 0 0 458.599 4.830 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360417193 1065281021 /nfs/dbraw/zinc/28/10/21/1065281021.db2.gz SRSQOEOTRVLAON-BETUJISGSA-N 0 0 462.408 4.905 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001436268005 1065281129 /nfs/dbraw/zinc/28/11/29/1065281129.db2.gz OFZCWRDFWAFYIM-QUCCMNQESA-N 0 0 459.516 4.783 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cccc4c(Br)ccnc34)CC2=O)c(C)c1 ZINC001436269186 1065281190 /nfs/dbraw/zinc/28/11/90/1065281190.db2.gz FCCRHXHOTHMAMS-INIZCTEOSA-N 0 0 452.352 4.914 20 0 JJADRN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c21 ZINC001436269970 1065281719 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451.036 4.893 20 0 JJADRN CCN(C)C(=O)c1cccc(OC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC001360419397 1065284513 /nfs/dbraw/zinc/28/45/13/1065284513.db2.gz URNKBPKIFIAOOF-UHFFFAOYSA-N 0 0 456.498 4.925 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360420684 1065285381 /nfs/dbraw/zinc/28/53/81/1065285381.db2.gz WBTKPMYFBVVTJN-UXHICEINSA-N 0 0 481.707 4.745 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001360420586 1065285433 /nfs/dbraw/zinc/28/54/33/1065285433.db2.gz KJMRYTFTMVKELM-UHFFFAOYSA-N 0 0 457.979 4.886 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1 ZINC001360420732 1065286197 /nfs/dbraw/zinc/28/61/97/1065286197.db2.gz LQAFWJNYGBTEBU-UHFFFAOYSA-N 0 0 457.452 4.659 20 0 JJADRN Cc1cccc(N(CC(C)(C)C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)n1 ZINC001436281773 1065286407 /nfs/dbraw/zinc/28/64/07/1065286407.db2.gz ZROGBDWAFMNPPL-UHFFFAOYSA-N 0 0 458.484 4.956 20 0 JJADRN 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Cc1cc(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)sc1Br ZINC001436290688 1065288541 /nfs/dbraw/zinc/28/85/41/1065288541.db2.gz QCYQCKYNBAJCGA-LBPRGKRZSA-N 0 0 452.324 4.706 20 0 JJADRN CC(C)SCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001360422682 1065288941 /nfs/dbraw/zinc/28/89/41/1065288941.db2.gz HDZLWMWJGNVERE-IBGZPJMESA-N 0 0 465.063 4.905 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccnc2SCc2ccc(F)cc2)[C@H]1n1cccn1 ZINC001436292232 1065289161 /nfs/dbraw/zinc/28/91/61/1065289161.db2.gz UHJKGHDBFZKEMD-PWRODBHTSA-N 0 0 454.571 4.637 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(Cl)cc1Cl ZINC001436292224 1065289202 /nfs/dbraw/zinc/28/92/02/1065289202.db2.gz UGGZAOAZHFQUSS-QGZVFWFLSA-N 0 0 452.363 4.641 20 0 JJADRN CC(C)SCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001360422769 1065289466 /nfs/dbraw/zinc/28/94/66/1065289466.db2.gz JINPXPWBRUFVFD-LJQANCHMSA-N 0 0 452.571 4.552 20 0 JJADRN CC(C)SCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001360422768 1065289716 /nfs/dbraw/zinc/28/97/16/1065289716.db2.gz JINPXPWBRUFVFD-IBGZPJMESA-N 0 0 452.571 4.552 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001436295121 1065289584 /nfs/dbraw/zinc/28/95/84/1065289584.db2.gz HVKVUYIOPGKTOQ-GOTSBHOMSA-N 0 0 455.961 4.911 20 0 JJADRN CC(C)SCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001360423113 1065290033 /nfs/dbraw/zinc/29/00/33/1065290033.db2.gz NRVFKGLUZDMFRF-UHFFFAOYSA-N 0 0 487.714 4.601 20 0 JJADRN CC(C)SCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001360422931 1065290059 /nfs/dbraw/zinc/29/00/59/1065290059.db2.gz LFKSNXHBTUXWMD-IBGZPJMESA-N 0 0 486.711 4.737 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)c1noc(C)n1 ZINC001360423075 1065290113 /nfs/dbraw/zinc/29/01/13/1065290113.db2.gz NTBQAGVSZRPCJD-FQEVSTJZSA-N 0 0 459.930 4.603 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1noc(C)n1 ZINC001360423193 1065290807 /nfs/dbraw/zinc/29/08/07/1065290807.db2.gz PSIQOSPHIIAELJ-LJQANCHMSA-N 0 0 452.363 4.832 20 0 JJADRN COc1ccc(-c2cc(C(=O)N(c3ccc(Br)cc3)C3CC3)nn2C)cc1OC ZINC001436298030 1065291074 /nfs/dbraw/zinc/29/10/74/1065291074.db2.gz PIMTUMGPOIYVLL-UHFFFAOYSA-N 0 0 456.340 4.676 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)C[C@H](C)O1 ZINC001360423486 1065291317 /nfs/dbraw/zinc/29/13/17/1065291317.db2.gz WYFZPASUHJRZFD-CALCHBBNSA-N 0 0 458.484 4.753 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NC1(C(=O)N(C)C)CCCCC1 ZINC001436298771 1065291415 /nfs/dbraw/zinc/29/14/15/1065291415.db2.gz CSXRLVWQHUQGTK-UHFFFAOYSA-N 0 0 453.530 4.967 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Oc2ccc(Cl)c(Br)c2)s1 ZINC001436301325 1065291429 /nfs/dbraw/zinc/29/14/29/1065291429.db2.gz KQHMZVHMSBEJIK-HNNXBMFYSA-N 0 0 452.761 4.990 20 0 JJADRN CCc1c(C(=O)NCc2ccnc(C(F)(F)F)c2)cnn1-c1ccc(Br)cc1 ZINC001436300489 1065291504 /nfs/dbraw/zinc/29/15/04/1065291504.db2.gz GIBPCMJCZMTWMM-UHFFFAOYSA-N 0 0 453.262 4.541 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC001360423804 1065291898 /nfs/dbraw/zinc/29/18/98/1065291898.db2.gz CAFTUQCQAXQMBC-UHFFFAOYSA-N 0 0 455.505 4.883 20 0 JJADRN Cc1sc2ncn(CCC(=O)Nc3cc(Cl)cc(C)c3Br)c(=O)c2c1C ZINC001436302677 1065292103 /nfs/dbraw/zinc/29/21/03/1065292103.db2.gz SUUNWKQQQJIDAO-UHFFFAOYSA-N 0 0 454.777 4.828 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360424543 1065292518 /nfs/dbraw/zinc/29/25/18/1065292518.db2.gz AFENGVPOCPJXJY-YZGWKJHDSA-N 0 0 475.584 4.895 20 0 JJADRN Cn1cc(Br)c(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1 ZINC001436305922 1065292532 /nfs/dbraw/zinc/29/25/32/1065292532.db2.gz YKTIXEQNUNIWHH-SFHVURJKSA-N 0 0 452.324 4.611 20 0 JJADRN COc1c(F)cc(NC(=O)c2ccc(Br)cc2Br)c(OC)c1F ZINC001436303722 1065292583 /nfs/dbraw/zinc/29/25/83/1065292583.db2.gz IMJWDOVJNHZANE-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436308376 1065293246 /nfs/dbraw/zinc/29/32/46/1065293246.db2.gz DFUSMGATCDSELU-WDSOQIARSA-N 0 0 454.011 4.567 20 0 JJADRN CC(C)SCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(Br)cn1C ZINC001360424754 1065293699 /nfs/dbraw/zinc/29/36/99/1065293699.db2.gz IHBCIAAJDBIANK-UHFFFAOYSA-N 0 0 478.464 4.928 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360425042 1065294288 /nfs/dbraw/zinc/29/42/88/1065294288.db2.gz SIGAHQFQSZNWLZ-YSTOQKLRSA-N 0 0 495.734 4.688 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360425012 1065294357 /nfs/dbraw/zinc/29/43/57/1065294357.db2.gz RJKFTBCRCUBBAQ-RYQLBKOJSA-N 0 0 469.939 4.857 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001436311506 1065294313 /nfs/dbraw/zinc/29/43/13/1065294313.db2.gz JNBOWJNZUWWFTO-HNNXBMFYSA-N 0 0 455.274 4.509 20 0 JJADRN CO[C@H](C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)c1ccc(Br)s1 ZINC001436311005 1065294433 /nfs/dbraw/zinc/29/44/33/1065294433.db2.gz INDPKIYOWJKOKY-WBMJQRKESA-N 0 0 459.203 4.977 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001436311254 1065294487 /nfs/dbraw/zinc/29/44/87/1065294487.db2.gz PJIGJGYRZWQNST-KRWDZBQOSA-N 0 0 451.317 4.524 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)NC[C@H]1CCCC1(F)F ZINC001436311823 1065294545 /nfs/dbraw/zinc/29/45/45/1065294545.db2.gz ZMLMSRWCQVEPDU-SECBINFHSA-N 0 0 458.084 4.527 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 ZINC001360425267 1065295219 /nfs/dbraw/zinc/29/52/19/1065295219.db2.gz BLRUUFDZHHPKML-XUVXKRRUSA-N 0 0 475.659 4.544 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC001436315385 1065295795 /nfs/dbraw/zinc/29/57/95/1065295795.db2.gz JEMJLYHBJRCTIT-ZGFBMJKBSA-N 0 0 454.655 4.642 20 0 JJADRN C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC001360426022 1065296288 /nfs/dbraw/zinc/29/62/88/1065296288.db2.gz CDTJJYPECAUUQK-LAUBAEHRSA-N 0 0 459.587 4.684 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)CC2=O)c(C)c1 ZINC001436331123 1065296767 /nfs/dbraw/zinc/29/67/67/1065296767.db2.gz NBWJJQDVYLETQZ-HNAYVOBHSA-N 0 0 459.359 4.670 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC001436337766 1065297563 /nfs/dbraw/zinc/29/75/63/1065297563.db2.gz WKQSVXDWCCGWJG-MEBBXXQBSA-N 0 0 457.695 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cccc3c2COCC3)c2ccccc2F)CC1 ZINC001360427234 1065297551 /nfs/dbraw/zinc/29/75/51/1065297551.db2.gz XQFRDHGDXBHJNQ-UHFFFAOYSA-N 0 0 454.542 4.945 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360427705 1065298171 /nfs/dbraw/zinc/29/81/71/1065298171.db2.gz POQDWJMQMSXSHK-XGHQBKJUSA-N 0 0 475.584 4.715 20 0 JJADRN CCC1(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCCC1 ZINC001436338774 1065298170 /nfs/dbraw/zinc/29/81/70/1065298170.db2.gz YZXLYJBHBJEDHU-HXUWFJFHSA-N 0 0 458.624 4.735 20 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ZINC001436367948 1065303660 /nfs/dbraw/zinc/30/36/60/1065303660.db2.gz BSLPVBSTDKWUTB-UHFFFAOYSA-N 0 0 456.524 4.949 20 0 JJADRN CC(=O)c1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)sc1C ZINC001436367924 1065303750 /nfs/dbraw/zinc/30/37/50/1065303750.db2.gz SAFNSUJDYCCGFX-OAHLLOKOSA-N 0 0 457.474 4.877 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Br)cnc3C)cc2)cc1 ZINC001436368573 1065303844 /nfs/dbraw/zinc/30/38/44/1065303844.db2.gz MNFSAHVBRDRUNW-UHFFFAOYSA-N 0 0 459.365 4.687 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC001360429608 1065304051 /nfs/dbraw/zinc/30/40/51/1065304051.db2.gz SKGFJMXZMIGZGQ-UHFFFAOYSA-N 0 0 456.896 4.523 20 0 JJADRN COc1cc(COC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1Cl ZINC001436375527 1065305219 /nfs/dbraw/zinc/30/52/19/1065305219.db2.gz QXPFCNOWLPDKBN-UHFFFAOYSA-N 0 0 455.860 4.963 20 0 JJADRN CN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001436376932 1065305423 /nfs/dbraw/zinc/30/54/23/1065305423.db2.gz HRWATRPVSGZUSQ-UHFFFAOYSA-N 0 0 451.778 4.931 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001436379113 1065305948 /nfs/dbraw/zinc/30/59/48/1065305948.db2.gz NQEBNBXSDYUMEF-UHFFFAOYSA-N 0 0 450.486 4.941 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC001360430761 1065306069 /nfs/dbraw/zinc/30/60/69/1065306069.db2.gz YHOKVYVIJAKJQK-MSOLQXFVSA-N 0 0 451.405 4.680 20 0 JJADRN Cc1nc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)nn1-c1ccccc1 ZINC001436384063 1065306490 /nfs/dbraw/zinc/30/64/90/1065306490.db2.gz AHANFSFREZULGQ-UHFFFAOYSA-N 0 0 453.296 4.763 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(ccnc3N(C)C)c2)nn1-c1ccccc1Br ZINC001436390878 1065307683 /nfs/dbraw/zinc/30/76/83/1065307683.db2.gz VUXUGYQETZOYSY-UHFFFAOYSA-N 0 0 450.340 4.810 20 0 JJADRN O=C(c1sc(N2CCCC2)nc1Cl)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001436396186 1065308475 /nfs/dbraw/zinc/30/84/75/1065308475.db2.gz AWUWWQRRMASDNS-AWEZNQCLSA-N 0 0 454.821 4.864 20 0 JJADRN Cc1nn(C)c2cc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)ccc12 ZINC001436398955 1065309585 /nfs/dbraw/zinc/30/95/85/1065309585.db2.gz TXQITTWBVIDHGV-UHFFFAOYSA-N 0 0 450.608 4.923 20 0 JJADRN COc1ccc(Br)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC001436400343 1065309697 /nfs/dbraw/zinc/30/96/97/1065309697.db2.gz UQLKAGGBWIVBHM-UHFFFAOYSA-N 0 0 452.370 4.735 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360432910 1065310441 /nfs/dbraw/zinc/31/04/41/1065310441.db2.gz RMQOTJDRBKGCEK-MRXNPFEDSA-N 0 0 479.535 4.831 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cccn1 ZINC001360432830 1065310564 /nfs/dbraw/zinc/31/05/64/1065310564.db2.gz MWCXAZMPVTVFMF-SFGWALBWSA-N 0 0 472.584 4.959 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001436404757 1065311142 /nfs/dbraw/zinc/31/11/42/1065311142.db2.gz ILPWTHAHQRHSQI-UHFFFAOYSA-N 0 0 456.282 4.700 20 0 JJADRN Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)nnn1Cc1ccncc1 ZINC001436409121 1065311725 /nfs/dbraw/zinc/31/17/25/1065311725.db2.gz FZCBBQORRKVNJC-UHFFFAOYSA-N 0 0 454.353 4.773 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360433678 1065312412 /nfs/dbraw/zinc/31/24/12/1065312412.db2.gz UFHGPLCGWODLIM-LJQANCHMSA-N 0 0 493.631 4.571 20 0 JJADRN CS(C)(=O)=NC(=O)c1ccccc1NC(=O)CCCCc1ccc(Br)cc1 ZINC001436410956 1065312454 /nfs/dbraw/zinc/31/24/54/1065312454.db2.gz CAOUVBPQHQRFNI-UHFFFAOYSA-N 0 0 451.386 4.668 20 0 JJADRN COC(=O)[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccccn1 ZINC001436419876 1065313827 /nfs/dbraw/zinc/31/38/27/1065313827.db2.gz YYSXFILOXHQJHJ-OAQYLSRUSA-N 0 0 450.878 4.704 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CCN(c3ccccc3F)C2)n1C ZINC001360434196 1065314668 /nfs/dbraw/zinc/31/46/68/1065314668.db2.gz BFECMXLOQOMWCO-INIZCTEOSA-N 0 0 457.347 4.762 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001360435698 1065315924 /nfs/dbraw/zinc/31/59/24/1065315924.db2.gz KGPVZFHOSRZRDU-QFIPXVFZSA-N 0 0 458.440 4.636 20 0 JJADRN COc1cc(N(C)C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc(OC)c1OC ZINC001360435761 1065315991 /nfs/dbraw/zinc/31/59/91/1065315991.db2.gz HTCBHXAJKAMLBM-UHFFFAOYSA-N 0 0 453.514 4.718 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436427158 1065315866 /nfs/dbraw/zinc/31/58/66/1065315866.db2.gz IKEUSMYYDCIQOD-HOYKHHGWSA-N 0 0 459.521 4.560 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1 ZINC001360436293 1065316400 /nfs/dbraw/zinc/31/64/00/1065316400.db2.gz SYAVOHAIRHJNEA-UHFFFAOYSA-N 0 0 453.808 4.755 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(C(C)(C)C)n2CC[C@H]2CCCCO2)CC1 ZINC001360437260 1065317845 /nfs/dbraw/zinc/31/78/45/1065317845.db2.gz GMMZURBXDSSNBJ-AZUAARDMSA-N 0 0 461.601 4.696 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C2CC2)ccc1F ZINC001436435257 1065318024 /nfs/dbraw/zinc/31/80/24/1065318024.db2.gz BQMXAHWTBBACBS-GAJHUEQPSA-N 0 0 456.558 4.818 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C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2cccnc2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360437957 1065319858 /nfs/dbraw/zinc/31/98/58/1065319858.db2.gz VBWAUGKACAFQMV-SFHVURJKSA-N 0 0 490.549 4.875 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(Br)n1 ZINC001360437884 1065319934 /nfs/dbraw/zinc/31/99/34/1065319934.db2.gz SCLHGBASPKDROE-INIZCTEOSA-N 0 0 481.373 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C2CC2)ccc1F ZINC001436443515 1065320414 /nfs/dbraw/zinc/32/04/14/1065320414.db2.gz YKQAYCLIIVXRKM-QHCPKHFHSA-N 0 0 451.542 4.937 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCCCO1 ZINC001360438828 1065321156 /nfs/dbraw/zinc/32/11/56/1065321156.db2.gz ZOOWJTFTUQIGMU-XLIONFOSSA-N 0 0 471.602 4.565 20 0 JJADRN Cc1ccc(C(=O)N(C)c2ccc(Cl)nn2)cc1NC(=O)c1ccc(Br)cc1 ZINC001360439550 1065321837 /nfs/dbraw/zinc/32/18/37/1065321837.db2.gz QIUMFUGBULDKRI-UHFFFAOYSA-N 0 0 459.731 4.730 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 ZINC001360440181 1065322888 /nfs/dbraw/zinc/32/28/88/1065322888.db2.gz OHKKVMHEUIWZIT-IWAYBZMOSA-N 0 0 455.971 4.570 20 0 JJADRN Cc1nc(C(C)C)ccc1COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC001436458794 1065323083 /nfs/dbraw/zinc/32/30/83/1065323083.db2.gz GGCGZYNKDMGPOZ-IBGZPJMESA-N 0 0 452.576 4.910 20 0 JJADRN O=C(CCc1ccc2c(c1)OCCO2)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001436459094 1065323567 /nfs/dbraw/zinc/32/35/67/1065323567.db2.gz CFRDQYSOALORRR-UHFFFAOYSA-N 0 0 450.760 4.654 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001360440377 1065323728 /nfs/dbraw/zinc/32/37/28/1065323728.db2.gz RBQQWUJGDXTEGM-BBFFTDKLSA-N 0 0 483.585 4.570 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001360440462 1065324320 /nfs/dbraw/zinc/32/43/20/1065324320.db2.gz SBPFNAVWWCFKQK-KVZAFPDTSA-N 0 0 458.672 4.716 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360440925 1065324897 /nfs/dbraw/zinc/32/48/97/1065324897.db2.gz ZHTXFWRWJHPCAY-HLIGVVEJSA-N 0 0 488.608 4.886 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCc1cccs1 ZINC001360441872 1065326475 /nfs/dbraw/zinc/32/64/75/1065326475.db2.gz HGQYHAMFEMYEQZ-ZUQCGGBESA-N 0 0 465.648 4.503 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC001436467802 1065326355 /nfs/dbraw/zinc/32/63/55/1065326355.db2.gz OOFBOFHJFRFBSL-UHFFFAOYSA-N 0 0 456.502 4.510 20 0 JJADRN COCCOc1ccc(CC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 ZINC001436468261 1065326524 /nfs/dbraw/zinc/32/65/24/1065326524.db2.gz XYFHOOMPCXKQGW-UHFFFAOYSA-N 0 0 452.776 4.518 20 0 JJADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCC1CCCC1 ZINC001360442009 1065326888 /nfs/dbraw/zinc/32/68/88/1065326888.db2.gz HYUXYMLVHIOXTD-GOSISDBHSA-N 0 0 461.676 4.682 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCCC(F)(F)F ZINC001360442308 1065326983 /nfs/dbraw/zinc/32/69/83/1065326983.db2.gz LXKALJZKACMKJL-MWOWJKGTSA-N 0 0 465.545 4.541 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCCC(F)(F)F ZINC001360442307 1065327006 /nfs/dbraw/zinc/32/70/06/1065327006.db2.gz LXKALJZKACMKJL-KNTRGWTASA-N 0 0 465.545 4.541 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CCC[C@@H]1CCCCO1 ZINC001360442322 1065327421 /nfs/dbraw/zinc/32/74/21/1065327421.db2.gz MCKPEANBNPCHOF-VSWMQDILSA-N 0 0 481.666 4.548 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CCC[C@H]1CCCCO1 ZINC001360442321 1065327510 /nfs/dbraw/zinc/32/75/10/1065327510.db2.gz MCKPEANBNPCHOF-OTHANADMSA-N 0 0 481.666 4.548 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001436473241 1065327796 /nfs/dbraw/zinc/32/77/96/1065327796.db2.gz KKIKSMFXODMDRB-DJJJIMSYSA-N 0 0 451.311 4.518 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1 ZINC001360442523 1065328262 /nfs/dbraw/zinc/32/82/62/1065328262.db2.gz OUJFJAPPXPDGDR-STQSFFJQSA-N 0 0 499.706 4.785 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(N2CCCCCC2)cc1 ZINC001436475898 1065328309 /nfs/dbraw/zinc/32/83/09/1065328309.db2.gz BZPUYYXKCSBOTJ-UHFFFAOYSA-N 0 0 450.320 4.933 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1Cc1ccnc(OC(F)F)c1 ZINC001360443087 1065328665 /nfs/dbraw/zinc/32/86/65/1065328665.db2.gz WJMVLNRVRNTIMU-JCYUZIAUSA-N 0 0 491.608 4.846 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC1CCC(F)(F)CC1 ZINC001360442887 1065328702 /nfs/dbraw/zinc/32/87/02/1065328702.db2.gz UXZOLKDICUHWSJ-AZYRPFHASA-N 0 0 450.599 4.991 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)CC(F)(F)F ZINC001360443609 1065330025 /nfs/dbraw/zinc/33/00/25/1065330025.db2.gz COSJSYKNRTVBLQ-OAHLLOKOSA-N 0 0 482.938 4.781 20 0 JJADRN 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CC(C)n1nc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC(C)(C)O)c2ccccc2c1=O ZINC001360463836 1065372693 /nfs/dbraw/zinc/37/26/93/1065372693.db2.gz WYIYPXAMPZQYAF-QGZVFWFLSA-N 0 0 480.638 4.656 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 ZINC001436572713 1065373311 /nfs/dbraw/zinc/37/33/11/1065373311.db2.gz CTSIWQBUCCGRBH-HYFFOGBASA-N 0 0 454.592 4.770 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Br)n1 ZINC001360464128 1065373297 /nfs/dbraw/zinc/37/32/97/1065373297.db2.gz ZOSFXNRLPDEDDY-LSDHHAIUSA-N 0 0 462.417 4.637 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)Oc2c(Cl)cc(Cl)cc2Br)c1C ZINC001436573652 1065373719 /nfs/dbraw/zinc/37/37/19/1065373719.db2.gz OUVWUFUOEUDITN-UHFFFAOYSA-N 0 0 452.153 4.995 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)O[C@@H](C)c1ccc(SCC(=O)N(C)C)cc1 ZINC001436574237 1065373825 /nfs/dbraw/zinc/37/38/25/1065373825.db2.gz INSYWMXSAXHUIH-ZDUSSCGKSA-N 0 0 456.486 4.597 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)O[C@H](C)c1ccc(SCC(=O)N(C)C)cc1 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MYOBWWUTPSEEAF-CQSZACIVSA-N 0 0 473.027 4.625 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1cccnc1N1CCCCC1)NC(=O)OC(C)(C)C ZINC001436580858 1065379523 /nfs/dbraw/zinc/37/95/23/1065379523.db2.gz KOTUPDFTPRWTNP-JOCHJYFZSA-N 0 0 452.599 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001436580201 1065379667 /nfs/dbraw/zinc/37/96/67/1065379667.db2.gz BBSFYYORJOVKAP-SZNDQCEHSA-N 0 0 450.461 4.619 20 0 JJADRN COc1ccc(F)cc1CC(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001436581342 1065380109 /nfs/dbraw/zinc/38/01/09/1065380109.db2.gz ARGDOMRBHXXWDQ-OAHLLOKOSA-N 0 0 451.311 4.684 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001360467065 1065380227 /nfs/dbraw/zinc/38/02/27/1065380227.db2.gz RULXBNVNSRCCPY-GOSISDBHSA-N 0 0 472.680 4.863 20 0 JJADRN C[C@@H](c1nc(C2CC2)no1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC(C)(C)C)CC1 ZINC001360466977 1065380321 /nfs/dbraw/zinc/38/03/21/1065380321.db2.gz JZXUKSGNSWEXML-SFHVURJKSA-N 0 0 457.667 4.837 20 0 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COC(=O)c1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)sc1C(C)C ZINC001436585215 1065384055 /nfs/dbraw/zinc/38/40/55/1065384055.db2.gz RVGQRTVJVFLXED-UHFFFAOYSA-N 0 0 455.584 4.991 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C(C)(C)C)cc1 ZINC001436586216 1065384593 /nfs/dbraw/zinc/38/45/93/1065384593.db2.gz WSRNKCODGCSJCN-OFVILXPXSA-N 0 0 456.583 4.552 20 0 JJADRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(Br)ccc1Br)C2 ZINC001436585971 1065384717 /nfs/dbraw/zinc/38/47/17/1065384717.db2.gz SNQWOVXJHMIIEM-UHFFFAOYSA-N 0 0 451.158 4.908 20 0 JJADRN CCc1c(C(=O)Oc2cc(Br)cc(C(F)(F)F)c2)nnn1Cc1ccccc1 ZINC001436588241 1065385417 /nfs/dbraw/zinc/38/54/17/1065385417.db2.gz KELYHZAFRZGEOF-UHFFFAOYSA-N 0 0 454.246 4.889 20 0 JJADRN COc1cc(Br)ccc1OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001436589130 1065385982 /nfs/dbraw/zinc/38/59/82/1065385982.db2.gz RLNDBIUEFWXSST-UHFFFAOYSA-N 0 0 458.761 4.630 20 0 JJADRN COCC(C)(C)CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 ZINC001436588984 1065386146 /nfs/dbraw/zinc/38/61/46/1065386146.db2.gz ZGNHWOIREWGAGL-UHFFFAOYSA-N 0 0 457.578 4.724 20 0 JJADRN O=C(Nc1cccc2c1COC2=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001436590681 1065387420 /nfs/dbraw/zinc/38/74/20/1065387420.db2.gz PQLXSWREIVCHNH-UHFFFAOYSA-N 0 0 457.195 4.516 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1sc(SC(F)F)nc1C)c1ccc2ccccc2c1 ZINC001436592202 1065388232 /nfs/dbraw/zinc/38/82/32/1065388232.db2.gz NWSFAXJQAMMUEQ-INIZCTEOSA-N 0 0 450.532 4.883 20 0 JJADRN CCCc1nc(C)c(COC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)o1 ZINC001436591825 1065388260 /nfs/dbraw/zinc/38/82/60/1065388260.db2.gz HVPYYOLDDYWSNJ-GOSISDBHSA-N 0 0 450.535 4.693 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(Br)cc3)c2)o1 ZINC001360470525 1065388433 /nfs/dbraw/zinc/38/84/33/1065388433.db2.gz VOFGNAVGHMZBNN-UHFFFAOYSA-N 0 0 452.312 4.862 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)O[C@@H](C)c2ccccc2)c1 ZINC001436593685 1065388783 /nfs/dbraw/zinc/38/87/83/1065388783.db2.gz GDOYIOWQMYSATQ-FQEVSTJZSA-N 0 0 458.624 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001436593870 1065388841 /nfs/dbraw/zinc/38/88/41/1065388841.db2.gz CGYNROBLLOCXID-KZKAQZJJSA-N 0 0 470.997 4.970 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001436594758 1065389485 /nfs/dbraw/zinc/38/94/85/1065389485.db2.gz AKMVGVNKCYVDNQ-HXUWFJFHSA-N 0 0 455.352 4.878 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)n1 ZINC001436598716 1065391697 /nfs/dbraw/zinc/39/16/97/1065391697.db2.gz OSYRJMGEFUCZDX-UHFFFAOYSA-N 0 0 453.402 4.971 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC001360472575 1065392797 /nfs/dbraw/zinc/39/27/97/1065392797.db2.gz HEPXIFWBEQOCPW-JGCGQSQUSA-N 0 0 451.563 4.962 20 0 JJADRN C[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)c1ccc(Br)cc1F ZINC001436599616 1065392826 /nfs/dbraw/zinc/39/28/26/1065392826.db2.gz LFTWQAALQBEDBV-SECBINFHSA-N 0 0 453.109 4.785 20 0 JJADRN Cc1cc(C(F)(F)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cnc1Cl ZINC001360473117 1065392831 /nfs/dbraw/zinc/39/28/31/1065392831.db2.gz PYZKHINBXYCRNP-FQEVSTJZSA-N 0 0 457.908 4.526 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)n1 ZINC001436600203 1065393557 /nfs/dbraw/zinc/39/35/57/1065393557.db2.gz VDLXAGFISNNXNE-UHFFFAOYSA-N 0 0 456.568 4.875 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC3CCCC3)nc2)cc1 ZINC001436600549 1065393646 /nfs/dbraw/zinc/39/36/46/1065393646.db2.gz PAYKHWWBRDPEPP-IBGZPJMESA-N 0 0 453.539 4.546 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)c1cccc2ccccc21 ZINC001436601196 1065393974 /nfs/dbraw/zinc/39/39/74/1065393974.db2.gz XMRFJXMXANYGTK-MGPUTAFESA-N 0 0 456.336 4.790 20 0 JJADRN CC(C)(C)c1ccc(Oc2ccc(C(=O)NCCCn3cc(Br)cn3)cn2)cc1 ZINC001436601562 1065394188 /nfs/dbraw/zinc/39/41/88/1065394188.db2.gz ZWSHTGRXDDHXGD-UHFFFAOYSA-N 0 0 457.372 4.951 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001360474921 1065394023 /nfs/dbraw/zinc/39/40/23/1065394023.db2.gz BMDYUPKHGLOCDP-IDISGSTGSA-N 0 0 450.579 4.590 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001360474927 1065394229 /nfs/dbraw/zinc/39/42/29/1065394229.db2.gz BMDYUPKHGLOCDP-ZBLYBZFDSA-N 0 0 450.579 4.590 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001436602189 1065394729 /nfs/dbraw/zinc/39/47/29/1065394729.db2.gz VOSNIQKSLUEQID-OXQOHEQNSA-N 0 0 451.405 4.678 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(C)[C@@H]3C[C@H](Oc4ccccc4)C3(C)C)o2)cc1 ZINC001436603321 1065395204 /nfs/dbraw/zinc/39/52/04/1065395204.db2.gz XFFVNCVSNQWCAU-UXHICEINSA-N 0 0 453.564 4.542 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](C)c3ccc(C)cc3)cc2)c1C(F)(F)F ZINC001360478508 1065396028 /nfs/dbraw/zinc/39/60/28/1065396028.db2.gz PZTGEWCBKJSIQQ-MRXNPFEDSA-N 0 0 459.468 4.910 20 0 JJADRN CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608604 1065396916 /nfs/dbraw/zinc/39/69/16/1065396916.db2.gz HZGMMXUCLXIUOH-FQRUVTKNSA-N 0 0 459.631 4.773 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(Br)nc(Br)c2)cc1 ZINC001436610348 1065397545 /nfs/dbraw/zinc/39/75/45/1065397545.db2.gz BJLWUNIROGQVPA-GFCCVEGCSA-N 0 0 456.178 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC001360480008 1065398180 /nfs/dbraw/zinc/39/81/80/1065398180.db2.gz KZKUMJPKZPTXTO-XMMPIXPASA-N 0 0 450.579 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CC1(C(C)C)CC1 ZINC001545899887 1065398195 /nfs/dbraw/zinc/39/81/95/1065398195.db2.gz BCLIYFJUVWHBCG-JOCHJYFZSA-N 0 0 452.647 4.714 20 0 JJADRN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001436613423 1065398336 /nfs/dbraw/zinc/39/83/36/1065398336.db2.gz XXRKQELMYOHXSK-JOCHJYFZSA-N 0 0 454.615 4.663 20 0 JJADRN Cc1ccc(C(=O)N2CCCc3c(F)ccc(Cl)c32)cc1S(=O)(=O)NC1CCCC1 ZINC001436616006 1065399147 /nfs/dbraw/zinc/39/91/47/1065399147.db2.gz MSGBMNMBJCHTBT-UHFFFAOYSA-N 0 0 450.963 4.601 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)[C@H]1Cc3cc(Br)ccc3O1)CCC2 ZINC001436617386 1065399755 /nfs/dbraw/zinc/39/97/55/1065399755.db2.gz NKORVWUMOFRLNU-QGZVFWFLSA-N 0 0 451.158 4.803 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001436617105 1065399861 /nfs/dbraw/zinc/39/98/61/1065399861.db2.gz VMUWEQRAUKDFKH-FHLIZLRMSA-N 0 0 453.391 4.696 20 0 JJADRN Cn1ccc2c1cccc2NC(=O)c1cccc(Br)c1I ZINC001360481190 1065400774 /nfs/dbraw/zinc/40/07/74/1065400774.db2.gz GZSOYORREJALJG-UHFFFAOYSA-N 0 0 455.093 4.798 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCc1ccccc1 ZINC001545899926 1065400842 /nfs/dbraw/zinc/40/08/42/1065400842.db2.gz BXGXDGNWBNGCNW-QFIPXVFZSA-N 0 0 455.647 4.613 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001436626079 1065403066 /nfs/dbraw/zinc/40/30/66/1065403066.db2.gz AKJCOMGABSVHDJ-YFXJRYMSSA-N 0 0 456.558 4.811 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCCc2cccc(S(C)(=O)=O)c21 ZINC001436624954 1065403141 /nfs/dbraw/zinc/40/31/41/1065403141.db2.gz VPVOGJCDAMCYAN-UHFFFAOYSA-N 0 0 454.617 4.774 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COC/C=C\c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001436626429 1065403699 /nfs/dbraw/zinc/40/36/99/1065403699.db2.gz CHJMIAGWQKYVTJ-XTMNRFCFSA-N 0 0 468.569 4.765 20 0 JJADRN Cc1ccc(C)c(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001436626652 1065403781 /nfs/dbraw/zinc/40/37/81/1065403781.db2.gz FKQMAYIULCIKMO-FCHUYYIVSA-N 0 0 456.558 4.731 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001436626366 1065403866 /nfs/dbraw/zinc/40/38/66/1065403866.db2.gz BSXCQLLTMXKGEI-AYOQOUSVSA-N 0 0 477.602 4.903 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001360485240 1065405494 /nfs/dbraw/zinc/40/54/94/1065405494.db2.gz HRTLCSSWSJDZLJ-LJQANCHMSA-N 0 0 490.652 4.707 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001436629734 1065406447 /nfs/dbraw/zinc/40/64/47/1065406447.db2.gz SGQDEBPHPUHPFB-FXAWDEMLSA-N 0 0 456.587 4.988 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCS[C@@H](C)[C@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC001360486715 1065406614 /nfs/dbraw/zinc/40/66/14/1065406614.db2.gz WCUPULRRLNJBKQ-CVEARBPZSA-N 0 0 452.576 4.894 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)cc1 ZINC001360488985 1065408053 /nfs/dbraw/zinc/40/80/53/1065408053.db2.gz PADKWHAFLCUGNV-XMMPIXPASA-N 0 0 452.501 4.817 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(CS(=O)(=O)c4ccccc4)c3)cc2)n1 ZINC001360488858 1065408064 /nfs/dbraw/zinc/40/80/64/1065408064.db2.gz AOHKRRGDVJKVQA-UHFFFAOYSA-N 0 0 459.571 4.644 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(I)c(C)cc1C ZINC001360488848 1065408105 /nfs/dbraw/zinc/40/81/05/1065408105.db2.gz AHMOWWUOMQZFFW-UHFFFAOYSA-N 0 0 451.304 4.751 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)c(I)c(F)c2)cnn1-c1cccc(C)c1 ZINC001360491470 1065408701 /nfs/dbraw/zinc/40/87/01/1065408701.db2.gz ACMWZLKBAKJYDY-UHFFFAOYSA-N 0 0 453.230 4.624 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(C(=O)c3ccco3)c1)CC2 ZINC001436632565 1065408802 /nfs/dbraw/zinc/40/88/02/1065408802.db2.gz BJXZAIGDOUXTGQ-UHFFFAOYSA-N 0 0 452.551 4.764 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCc1ccc(OC2CCCCC2)cc1 ZINC001360492158 1065409773 /nfs/dbraw/zinc/40/97/73/1065409773.db2.gz ZRNDNEMPFSLFHP-IBGZPJMESA-N 0 0 457.368 4.903 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(F)c(I)c(F)c1 ZINC001360491955 1065409780 /nfs/dbraw/zinc/40/97/80/1065409780.db2.gz WJYRNOTWZGIAFP-PVXIVEMSSA-N 0 0 451.295 4.985 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)NCc3cc(F)ccc3N3CCOCC3)cc2)cs1 ZINC001360493397 1065409812 /nfs/dbraw/zinc/40/98/12/1065409812.db2.gz BJHPOSJEBLAKBW-UHFFFAOYSA-N 0 0 457.596 4.650 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1NC(=O)c1cccs1 ZINC001360496558 1065412136 /nfs/dbraw/zinc/41/21/36/1065412136.db2.gz PSTLMOWDMYAXQZ-IAGOWNOFSA-N 0 0 457.596 4.779 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC001360497030 1065414208 /nfs/dbraw/zinc/41/42/08/1065414208.db2.gz UTOUMVYHOSVOIS-UGSOOPFHSA-N 0 0 453.345 4.619 20 0 JJADRN COc1cc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc(OC)c1Cl ZINC001436641692 1065414171 /nfs/dbraw/zinc/41/41/71/1065414171.db2.gz VAICZYPHMXMQCN-DEOSSOPVSA-N 0 0 454.954 4.832 20 0 JJADRN CC[C@H](OC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)c1ccncc1 ZINC001436645736 1065415785 /nfs/dbraw/zinc/41/57/85/1065415785.db2.gz PLXJULMGWPKOJA-AWEZNQCLSA-N 0 0 455.234 4.752 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001360498187 1065416314 /nfs/dbraw/zinc/41/63/14/1065416314.db2.gz PLJHUZXMVNPRPB-BRWVUGGUSA-N 0 0 481.087 4.797 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)c(C)c1 ZINC001360498040 1065416357 /nfs/dbraw/zinc/41/63/57/1065416357.db2.gz JHGJKLKSRKCNTL-OAQYLSRUSA-N 0 0 459.590 4.727 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360498249 1065416461 /nfs/dbraw/zinc/41/64/61/1065416461.db2.gz QBXCKAPYTHSZCA-XONNXRMVSA-N 0 0 474.049 4.669 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2csc(-c3sccc3Br)n2)c(C)s1 ZINC001436647930 1065416440 /nfs/dbraw/zinc/41/64/40/1065416440.db2.gz PHDXZYLGVVNDSE-UHFFFAOYSA-N 0 0 457.396 4.972 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCc3ccc(Cl)cc3)CC2)c(C)c1 ZINC001360498520 1065417278 /nfs/dbraw/zinc/41/72/78/1065417278.db2.gz QLDAQGOXOQJRQH-OAQYLSRUSA-N 0 0 457.014 4.808 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC001360498271 1065417478 /nfs/dbraw/zinc/41/74/78/1065417478.db2.gz NMZQTZDNLSGBQZ-QFIPXVFZSA-N 0 0 450.623 4.672 20 0 JJADRN CC(C)c1nnc(N2CCN(CCOc3ccccc3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001360498892 1065418167 /nfs/dbraw/zinc/41/81/67/1065418167.db2.gz XMVGGNLRWAKBOZ-NRFANRHFSA-N 0 0 453.656 4.543 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)Cc1cccs1 ZINC001360499082 1065418845 /nfs/dbraw/zinc/41/88/45/1065418845.db2.gz ZTRWLAMXJKDINK-MRXNPFEDSA-N 0 0 490.471 4.609 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360499090 1065419036 /nfs/dbraw/zinc/41/90/36/1065419036.db2.gz ACXJQJRTXJLSDS-ICSRJNTNSA-N 0 0 489.686 4.606 20 0 JJADRN O=C(Nc1ccc(SC(F)(F)F)nc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001436657948 1065419902 /nfs/dbraw/zinc/41/99/02/1065419902.db2.gz JXBNOVGKPDJUQI-LJQANCHMSA-N 0 0 457.477 4.899 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ncccc3OCc3ccccc3)cc2)c1C ZINC001436657756 1065420004 /nfs/dbraw/zinc/42/00/04/1065420004.db2.gz YMNVYOLUDMKFPD-UHFFFAOYSA-N 0 0 456.502 4.584 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001436655890 1065420018 /nfs/dbraw/zinc/42/00/18/1065420018.db2.gz KOBXUGYKTJRTAO-UNMCSNQZSA-N 0 0 454.617 4.551 20 0 JJADRN O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1Sc1ccc(Br)cn1 ZINC001436670079 1065420864 /nfs/dbraw/zinc/42/08/64/1065420864.db2.gz IHBLRFBFIPINKT-UHFFFAOYSA-N 0 0 457.353 4.622 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360500205 1065421398 /nfs/dbraw/zinc/42/13/98/1065421398.db2.gz KWPCPHDQSYVXMX-KRWDZBQOSA-N 0 0 459.660 4.979 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360500064 1065421415 /nfs/dbraw/zinc/42/14/15/1065421415.db2.gz KFXHGDAJDSGTKV-ZWKOTPCHSA-N 0 0 458.603 4.940 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001436675147 1065421674 /nfs/dbraw/zinc/42/16/74/1065421674.db2.gz BGMRNOJYAHWGQN-OCCSQVGLSA-N 0 0 459.310 4.993 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(I)c2)C1(C)C ZINC001436677954 1065421774 /nfs/dbraw/zinc/42/17/74/1065421774.db2.gz DCXZYTFBPDAJFZ-UONOGXRCSA-N 0 0 480.184 4.766 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360500243 1065422274 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4.782 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360501272 1065425052 /nfs/dbraw/zinc/42/50/52/1065425052.db2.gz RFBPSFCJLJAZST-PBHICJAKSA-N 0 0 456.559 4.638 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1 ZINC001360501337 1065425137 /nfs/dbraw/zinc/42/51/37/1065425137.db2.gz RXMMLOSIGSDTEA-MOPGFXCFSA-N 0 0 459.660 4.933 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001436699819 1065425117 /nfs/dbraw/zinc/42/51/17/1065425117.db2.gz IKAMCQNZPIJFQD-IBGZPJMESA-N 0 0 454.242 4.718 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)cs2)cc1 ZINC001436709789 1065426012 /nfs/dbraw/zinc/42/60/12/1065426012.db2.gz DNYNBISSQAIFDJ-KRWDZBQOSA-N 0 0 451.567 4.951 20 0 JJADRN COc1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1NC(=O)C1CCCCC1 ZINC001360501964 1065426673 /nfs/dbraw/zinc/42/66/73/1065426673.db2.gz ZOESGXZSRFCXEG-UHFFFAOYSA-N 0 0 456.440 4.924 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CC[C@H]1c1ccc(C)o1 ZINC001436712431 1065426700 /nfs/dbraw/zinc/42/67/00/1065426700.db2.gz DQHITYFIYLBFFW-YDFBLROQSA-N 0 0 455.530 4.628 20 0 JJADRN O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001436711616 1065426857 /nfs/dbraw/zinc/42/68/57/1065426857.db2.gz BPMFAUKYEXFJIO-XZOQPEGZSA-N 0 0 454.492 4.879 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)cc2)o1 ZINC001360502229 1065427484 /nfs/dbraw/zinc/42/74/84/1065427484.db2.gz POSPRTSFPUPLEM-UHFFFAOYSA-N 0 0 454.530 4.636 20 0 JJADRN Cc1cc2c(CC(=O)N3CCN(C(=O)[C@H](C)Oc4ccc(C)cc4C)CC3)csc2s1 ZINC001360502481 1065428348 /nfs/dbraw/zinc/42/83/48/1065428348.db2.gz VGKHCRCYOVNQRM-SFHVURJKSA-N 0 0 456.633 4.569 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1 ZINC001360502740 1065428981 /nfs/dbraw/zinc/42/89/81/1065428981.db2.gz BOPHZGPKMAJROC-HXUWFJFHSA-N 0 0 458.610 4.820 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1C(C)(C)C ZINC001360502853 1065429062 /nfs/dbraw/zinc/42/90/62/1065429062.db2.gz DXOJDYKCEASRRP-QZTJIDSGSA-N 0 0 461.676 4.962 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001436716529 1065429452 /nfs/dbraw/zinc/42/94/52/1065429452.db2.gz XYXSCOLCVHRAST-JELQSWKKSA-N 0 0 457.014 4.848 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001360502883 1065429870 /nfs/dbraw/zinc/42/98/70/1065429870.db2.gz FLWZEHZABYXSFJ-CCLHPLFOSA-N 0 0 465.642 4.778 20 0 JJADRN C[C@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CCN1Cc1ccccc1 ZINC001436726984 1065430094 /nfs/dbraw/zinc/43/00/94/1065430094.db2.gz PKNWNPVQPSRTQJ-SFHVURJKSA-N 0 0 458.002 4.962 20 0 JJADRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001436724849 1065430242 /nfs/dbraw/zinc/43/02/42/1065430242.db2.gz FGDPWONCRIXRAH-IBGZPJMESA-N 0 0 454.361 4.586 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CCN1Cc1ccccc1 ZINC001436726983 1065430456 /nfs/dbraw/zinc/43/04/56/1065430456.db2.gz PKNWNPVQPSRTQJ-GOSISDBHSA-N 0 0 458.002 4.962 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl ZINC001360503026 1065430636 /nfs/dbraw/zinc/43/06/36/1065430636.db2.gz GVYZWDJADLTNPD-JTSKRJEESA-N 0 0 455.990 4.780 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001436728954 1065431270 /nfs/dbraw/zinc/43/12/70/1065431270.db2.gz QXKAAXMHDAAZDG-FQEVSTJZSA-N 0 0 456.942 4.626 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Oc1ccc(Cl)c(F)c1F ZINC001436733862 1065432120 /nfs/dbraw/zinc/43/21/20/1065432120.db2.gz OARGDWMLDXNHEN-UHFFFAOYSA-N 0 0 451.838 4.809 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3nnc(-c4cccc(Br)c4)s3)C2)c1 ZINC001360503552 1065432410 /nfs/dbraw/zinc/43/24/10/1065432410.db2.gz MQJCCHPAILQYKH-QGZVFWFLSA-N 0 0 457.353 4.716 20 0 JJADRN COc1cccc(C2(C(=O)Nc3cc(Cl)c(NC(=O)c4cnccn4)c(Cl)c3)CC2)c1 ZINC001360503508 1065432433 /nfs/dbraw/zinc/43/24/33/1065432433.db2.gz KVBNZMPZXFVHPW-UHFFFAOYSA-N 0 0 457.317 4.715 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360503570 1065432443 /nfs/dbraw/zinc/43/24/43/1065432443.db2.gz LQGVACQOJPKHCE-TZIWHRDSSA-N 0 0 494.640 4.836 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001436737473 1065433040 /nfs/dbraw/zinc/43/30/40/1065433040.db2.gz STIURUSZIBZKBZ-INIZCTEOSA-N 0 0 457.434 4.754 20 0 JJADRN CCCc1c(C(=O)N(C)Cc2ccc(C)c(C)c2)nnn1Cc1cccc(Br)c1 ZINC001436736538 1065433074 /nfs/dbraw/zinc/43/30/74/1065433074.db2.gz KYBVYCQBRSQPSR-UHFFFAOYSA-N 0 0 455.400 4.930 20 0 JJADRN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001436737550 1065433086 /nfs/dbraw/zinc/43/30/86/1065433086.db2.gz CUFILDSXQRJIBK-DOTOQJQBSA-N 0 0 453.938 4.868 20 0 JJADRN C[C@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360503604 1065433230 /nfs/dbraw/zinc/43/32/30/1065433230.db2.gz MDUMXSBYFRKLOY-ZWKOTPCHSA-N 0 0 458.701 4.856 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360503761 1065433239 /nfs/dbraw/zinc/43/32/39/1065433239.db2.gz NGZOVMJQRRPIES-GOSISDBHSA-N 0 0 471.646 4.697 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(N2CCN([C@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC001360503602 1065433302 /nfs/dbraw/zinc/43/33/02/1065433302.db2.gz MDUMXSBYFRKLOY-QZTJIDSGSA-N 0 0 458.701 4.856 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(N2CCN([C@@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC001360503601 1065433378 /nfs/dbraw/zinc/43/33/78/1065433378.db2.gz MDUMXSBYFRKLOY-MSOLQXFVSA-N 0 0 458.701 4.856 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360503768 1065434287 /nfs/dbraw/zinc/43/42/87/1065434287.db2.gz NITIJKLDBDBWCE-IEBWSBKVSA-N 0 0 467.580 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](C)Cc1cccs1 ZINC001545900979 1065434631 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/nfs/dbraw/zinc/51/31/79/1065513179.db2.gz LHVRHMSTFPOMCS-RYQLBKOJSA-N 0 0 451.629 4.695 20 0 JJADRN C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C)CC1)c1nccs1 ZINC001360531641 1065513437 /nfs/dbraw/zinc/51/34/37/1065513437.db2.gz VIDSAFNQQIVZEK-INIZCTEOSA-N 0 0 473.046 4.748 20 0 JJADRN CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001360531828 1065513878 /nfs/dbraw/zinc/51/38/78/1065513878.db2.gz WSBJYXRJVSENPA-FQEVSTJZSA-N 0 0 465.671 4.822 20 0 JJADRN Cc1cc(CN(C)C(=O)Cc2ccc(C(N)=O)cc2)cc(C)c1OCc1ccccc1Cl ZINC001360532190 1065513967 /nfs/dbraw/zinc/51/39/67/1065513967.db2.gz QGFLJNHIXCCMFE-UHFFFAOYSA-N 0 0 450.966 4.836 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 ZINC001360532100 1065514098 /nfs/dbraw/zinc/51/40/98/1065514098.db2.gz ZUSPQQXELXSENV-APWZRJJASA-N 0 0 473.046 4.747 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1C(F)F ZINC001437147715 1065514427 /nfs/dbraw/zinc/51/44/27/1065514427.db2.gz SMZMJSZMDDGCPG-GRYCIOLGSA-N 0 0 467.479 4.982 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001360533070 1065514429 /nfs/dbraw/zinc/51/44/29/1065514429.db2.gz QEJNEBGSTKFIHK-UHFFFAOYSA-N 0 0 454.548 4.769 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001437147716 1065515054 /nfs/dbraw/zinc/51/50/54/1065515054.db2.gz IDNYZZQNWKIIDE-ZFWWWQNUSA-N 0 0 456.427 4.846 20 0 JJADRN CC(C)(C)OC(=O)CCN(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C1CCOCC1 ZINC001437153128 1065515448 /nfs/dbraw/zinc/51/54/48/1065515448.db2.gz CMMGNRZQROJCPY-UHFFFAOYSA-N 0 0 451.432 4.694 20 0 JJADRN CSCC[C@@H](C)N(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001360535036 1065516032 /nfs/dbraw/zinc/51/60/32/1065516032.db2.gz ZMPYMTNDKCZBQG-CQSZACIVSA-N 0 0 451.017 4.873 20 0 JJADRN CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC001437158897 1065516021 /nfs/dbraw/zinc/51/60/21/1065516021.db2.gz ZPIQUVNUVYNYJP-UHFFFAOYSA-N 0 0 450.366 4.948 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC001360535256 1065516584 /nfs/dbraw/zinc/51/65/84/1065516584.db2.gz MEBXUNMEAUEYCS-CVEARBPZSA-N 0 0 458.404 4.843 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1nccs1 ZINC001360535533 1065517265 /nfs/dbraw/zinc/51/72/65/1065517265.db2.gz FCDKDZFBSGEOKQ-DOMZBBRYSA-N 0 0 457.909 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](C)Oc1cccc(F)c1 ZINC001545905401 1065517700 /nfs/dbraw/zinc/51/77/00/1065517700.db2.gz ACXNTZNOOXCAFU-NPPFBWRTSA-N 0 0 457.594 4.572 20 0 JJADRN O=C(CCc1ccc(F)c2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 ZINC001437183263 1065517768 /nfs/dbraw/zinc/51/77/68/1065517768.db2.gz PAHBORZFZIGHCO-UHFFFAOYSA-N 0 0 459.443 4.505 20 0 JJADRN O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001437189377 1065517882 /nfs/dbraw/zinc/51/78/82/1065517882.db2.gz YQSRADMLFMIHJZ-ZBFHGGJFSA-N 0 0 459.262 4.866 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCCCO)c1ccc(F)cc1 ZINC001360535757 1065517779 /nfs/dbraw/zinc/51/77/79/1065517779.db2.gz QPUBXLCVKQIYFM-HNNXBMFYSA-N 0 0 464.383 4.577 20 0 JJADRN O=C(c1nscc1Br)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437193001 1065519024 /nfs/dbraw/zinc/51/90/24/1065519024.db2.gz LVRPBKQLKOJRQN-UHFFFAOYSA-N 0 0 455.592 4.828 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437192187 1065519078 /nfs/dbraw/zinc/51/90/78/1065519078.db2.gz KEIYQBAUVDNIMK-UHFFFAOYSA-N 0 0 457.789 4.969 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360536331 1065519185 /nfs/dbraw/zinc/51/91/85/1065519185.db2.gz XBUJYHPBHPHOHE-ZNMIVQPWSA-N 0 0 462.367 4.735 20 0 JJADRN COc1ccc2onc(CC(=O)N3CCN(c4cc(Cl)c(Cl)c(Cl)c4)CC3)c2c1 ZINC001437193684 1065519140 /nfs/dbraw/zinc/51/91/40/1065519140.db2.gz QRFXXVDTVQSNQU-UHFFFAOYSA-N 0 0 454.741 4.688 20 0 JJADRN C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1nccs1 ZINC001360536598 1065519629 /nfs/dbraw/zinc/51/96/29/1065519629.db2.gz YXKHNQQSVYJEME-DRMAHVMPSA-N 0 0 462.019 4.539 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1F ZINC001437210395 1065520113 /nfs/dbraw/zinc/52/01/13/1065520113.db2.gz CMCZTKCQQAKMPP-HSZRJFAPSA-N 0 0 456.539 4.541 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001437216249 1065520690 /nfs/dbraw/zinc/52/06/90/1065520690.db2.gz VAZCODSYRJNQHG-MRXNPFEDSA-N 0 0 452.914 4.918 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)[nH]c(=O)c2c1C ZINC001360537640 1065521147 /nfs/dbraw/zinc/52/11/47/1065521147.db2.gz ITQGYCZTSTWGKA-VKJFTORMSA-N 0 0 451.658 4.593 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001437217936 1065521235 /nfs/dbraw/zinc/52/12/35/1065521235.db2.gz NKWPQFNRQAIWMK-IFMALSPDSA-N 0 0 481.593 4.701 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)[nH]c(=O)c2c1C ZINC001360537639 1065521291 /nfs/dbraw/zinc/52/12/91/1065521291.db2.gz ITQGYCZTSTWGKA-RVKKMQEKSA-N 0 0 451.658 4.593 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)nn1-c1cc(C)cc(C)c1 ZINC001360537783 1065521893 /nfs/dbraw/zinc/52/18/93/1065521893.db2.gz MGALDAGTMBIPLW-GOSISDBHSA-N 0 0 458.484 4.705 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(-c2ccc(F)cc2)no1 ZINC001360537907 1065522251 /nfs/dbraw/zinc/52/22/51/1065522251.db2.gz OXSWAWFMGZKZSL-UHFFFAOYSA-N 0 0 450.491 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001437225041 1065522254 /nfs/dbraw/zinc/52/22/54/1065522254.db2.gz JINAEQLACROHGD-KRWDZBQOSA-N 0 0 456.562 4.866 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC001437224378 1065522356 /nfs/dbraw/zinc/52/23/56/1065522356.db2.gz MGLMWMYVEMIPQZ-OSZJIOELSA-N 0 0 456.583 4.562 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)C(C)C)cc1 ZINC001360538527 1065522820 /nfs/dbraw/zinc/52/28/20/1065522820.db2.gz UOUHCPJOHQUPFQ-BNHRFMORSA-N 0 0 454.636 4.970 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc2c(cc1Br)OCO2 ZINC001360538550 1065522832 /nfs/dbraw/zinc/52/28/32/1065522832.db2.gz UPROSVYQFRZYIZ-MUUNZHRXSA-N 0 0 458.333 4.738 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)C(C)C)cc1 ZINC001360538528 1065522875 /nfs/dbraw/zinc/52/28/75/1065522875.db2.gz UOUHCPJOHQUPFQ-GPNASLBKSA-N 0 0 454.636 4.970 20 0 JJADRN CC1(C)Cc2nc(NC(=O)[C@H](Sc3ccc(F)cc3F)c3ccccc3)sc2C(=O)N1 ZINC001437229853 1065522916 /nfs/dbraw/zinc/52/29/16/1065522916.db2.gz FGHKQVVNBRRZKX-QGZVFWFLSA-N 0 0 459.543 4.958 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)Nc2ccc(OCCC(C)C)cc2F)N(C(=O)OCc2ccccc2)C1 ZINC001437228644 1065523143 /nfs/dbraw/zinc/52/31/43/1065523143.db2.gz VHVKDRTXKLCNOP-OFNKIYASSA-N 0 0 458.530 4.615 20 0 JJADRN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001360539310 1065523970 /nfs/dbraw/zinc/52/39/70/1065523970.db2.gz CJTDSCQHTWZCOI-UHFFFAOYSA-N 0 0 459.955 4.613 20 0 JJADRN CCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c(C(N)=O)c1 ZINC001360539364 1065523982 /nfs/dbraw/zinc/52/39/82/1065523982.db2.gz DPNJVGHPLDIRPU-UHFFFAOYSA-N 0 0 452.942 4.545 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(F)(F)CC1)Oc1ccc(F)cc1 ZINC001360540178 1065524314 /nfs/dbraw/zinc/52/43/14/1065524314.db2.gz AYCZKRNOSCJNBG-CQSZACIVSA-N 0 0 451.880 4.836 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)no1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001437241884 1065524340 /nfs/dbraw/zinc/52/43/40/1065524340.db2.gz ICYVZSMAMHHJGV-UHFFFAOYSA-N 0 0 454.202 4.961 20 0 JJADRN COc1cc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c(C2CC2)cc1Cl ZINC001437246922 1065525146 /nfs/dbraw/zinc/52/51/46/1065525146.db2.gz OFWHRFBCVHOBJW-UHFFFAOYSA-N 0 0 451.748 4.747 20 0 JJADRN CC(C)CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(F)cn1 ZINC001437253016 1065525518 /nfs/dbraw/zinc/52/55/18/1065525518.db2.gz MNTQELMBOOHUTR-UHFFFAOYSA-N 0 0 451.885 4.978 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)nc1 ZINC001437249840 1065525561 /nfs/dbraw/zinc/52/55/61/1065525561.db2.gz BCTPIPPOCQIBOT-QFIPXVFZSA-N 0 0 450.457 4.644 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)c1cc2c(c(Br)c1)OCO2 ZINC001437253183 1065525703 /nfs/dbraw/zinc/52/57/03/1065525703.db2.gz KDEYKMGBNJKLHL-UHFFFAOYSA-N 0 0 459.683 4.710 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(C(F)(F)F)CC1)N1CCOCC1 ZINC001360540642 1065526174 /nfs/dbraw/zinc/52/61/74/1065526174.db2.gz HRJVEDKXAXJBLE-CQSZACIVSA-N 0 0 490.357 4.671 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360540766 1065526247 /nfs/dbraw/zinc/52/62/47/1065526247.db2.gz IAYSQOMBLSPQAZ-LBPRGKRZSA-N 0 0 470.437 4.623 20 0 JJADRN C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(F)(F)F)CC1)N1CCOCC1 ZINC001360540767 1065526337 /nfs/dbraw/zinc/52/63/37/1065526337.db2.gz IBIVSTBAAWQTPR-GOSISDBHSA-N 0 0 479.591 4.742 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN(C)c1ccccc1)c1nccs1 ZINC001360540949 1065526777 /nfs/dbraw/zinc/52/67/77/1065526777.db2.gz HJAGYVINTKVQQH-QGZVFWFLSA-N 0 0 468.030 4.826 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360540960 1065526924 /nfs/dbraw/zinc/52/69/24/1065526924.db2.gz HPBWNYSDYUCSPV-GDBMZVCRSA-N 0 0 484.979 4.730 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCc4ccc(F)cc4[C@@H](C)C3)[nH]c(=O)c2c1C ZINC001437268220 1065527158 /nfs/dbraw/zinc/52/71/58/1065527158.db2.gz NKPGEUAZCNYUCI-SWLSCSKDSA-N 0 0 459.612 4.963 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCc4ccc(F)cc4[C@H](C)C3)[nH]c(=O)c2c1C ZINC001437268207 1065527216 /nfs/dbraw/zinc/52/72/16/1065527216.db2.gz NKPGEUAZCNYUCI-IUODEOHRSA-N 0 0 459.612 4.963 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC(C)(C)C1)N(C)c1ccccc1 ZINC001360541140 1065527515 /nfs/dbraw/zinc/52/75/15/1065527515.db2.gz IJVNYUOIQLPOHR-KRWDZBQOSA-N 0 0 457.047 4.850 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC001437268933 1065527728 /nfs/dbraw/zinc/52/77/28/1065527728.db2.gz HJFZHAHFIOEEPQ-LLVKDONJSA-N 0 0 458.686 4.763 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3cnn(-c4ccccc4C)c3C(F)F)cc2C1=O ZINC001437270385 1065527739 /nfs/dbraw/zinc/52/77/39/1065527739.db2.gz LQJCPCMCVLUWEG-UHFFFAOYSA-N 0 0 452.461 4.767 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)C1CCCCCC1 ZINC001437271468 1065527780 /nfs/dbraw/zinc/52/77/80/1065527780.db2.gz QUSKVTDEHZCQJF-LJQANCHMSA-N 0 0 454.514 4.531 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC001437268938 1065527873 /nfs/dbraw/zinc/52/78/73/1065527873.db2.gz HJFZHAHFIOEEPQ-NSHDSACASA-N 0 0 458.686 4.763 20 0 JJADRN COCc1ccnc(NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 ZINC001437277139 1065528810 /nfs/dbraw/zinc/52/88/10/1065528810.db2.gz UOGOGXCLVDIVAZ-UHFFFAOYSA-N 0 0 457.324 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001437276534 1065528884 /nfs/dbraw/zinc/52/88/84/1065528884.db2.gz QQBVPHOGQVHVKP-OLKYXYMISA-N 0 0 450.579 4.644 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cc2ccccc2OCc2ccncc2)c2ccccc21 ZINC001437284504 1065529973 /nfs/dbraw/zinc/52/99/73/1065529973.db2.gz BNWCISHEDPRLLY-ZEQRLZLVSA-N 0 0 458.558 4.890 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1NC(=O)c1ccco1 ZINC001437284450 1065530136 /nfs/dbraw/zinc/53/01/36/1065530136.db2.gz PFUSPHZEEOTLJM-CALCHBBNSA-N 0 0 451.498 4.845 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1)c1nccs1 ZINC001360541922 1065530343 /nfs/dbraw/zinc/53/03/43/1065530343.db2.gz VDROZNZUZHJPAH-CYBMUJFWSA-N 0 0 482.835 4.848 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)CC1=O ZINC001437286201 1065531290 /nfs/dbraw/zinc/53/12/90/1065531290.db2.gz GCAAFYROJNDQLW-OXJNMPFZSA-N 0 0 456.970 4.636 20 0 JJADRN C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC001360542405 1065531497 /nfs/dbraw/zinc/53/14/97/1065531497.db2.gz VMIPIOUXAFMFLB-MOPGFXCFSA-N 0 0 483.613 4.722 20 0 JJADRN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001437286926 1065531629 /nfs/dbraw/zinc/53/16/29/1065531629.db2.gz JIWCLWJPYVVUCM-CIPTZOQDSA-N 0 0 450.485 4.721 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CCCCC1 ZINC001437286835 1065531684 /nfs/dbraw/zinc/53/16/84/1065531684.db2.gz ZJSGRZOAFIEBHD-PMACEKPBSA-N 0 0 458.599 4.901 20 0 JJADRN Cn1cc(Oc2ccccc2C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)cn1 ZINC001437287007 1065531745 /nfs/dbraw/zinc/53/17/45/1065531745.db2.gz QFCQBYIGWYEQHA-UHFFFAOYSA-N 0 0 450.296 4.684 20 0 JJADRN C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC001360542407 1065532089 /nfs/dbraw/zinc/53/20/89/1065532089.db2.gz VMIPIOUXAFMFLB-RBUKOAKNSA-N 0 0 483.613 4.722 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(C)c1Br ZINC001437289491 1065532031 /nfs/dbraw/zinc/53/20/31/1065532031.db2.gz SWIARJMOBMPKCK-WBVHZDCISA-N 0 0 453.421 4.821 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)n1 ZINC001360543442 1065532443 /nfs/dbraw/zinc/53/24/43/1065532443.db2.gz XLMOYWSTKPKJPO-UXHICEINSA-N 0 0 458.559 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCOc1cccc(Cl)c1 ZINC001545905985 1065532532 /nfs/dbraw/zinc/53/25/32/1065532532.db2.gz NTWOXUBKGDUVAP-NRFANRHFSA-N 0 0 460.022 4.698 20 0 JJADRN CC[C@H]1c2ccccc2CCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360543338 1065532581 /nfs/dbraw/zinc/53/25/81/1065532581.db2.gz VVYKBUFMEVHBJU-QFIPXVFZSA-N 0 0 455.396 4.837 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCCc4c(OC)ccc(Cl)c43)cc2C1=O ZINC001437290870 1065532630 /nfs/dbraw/zinc/53/26/30/1065532630.db2.gz WMJLPNBWNGDIOC-FQEVSTJZSA-N 0 0 454.954 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@@]1(C)CCCS1 ZINC001545906042 1065532726 /nfs/dbraw/zinc/53/27/26/1065532726.db2.gz OPZIOIZOUQWMNB-SQJMNOBHSA-N 0 0 455.672 4.694 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001437289638 1065532807 /nfs/dbraw/zinc/53/28/07/1065532807.db2.gz UFIUZSGVKYJQRC-ZRCGQRJVSA-N 0 0 452.595 4.949 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccccc1F ZINC001360544190 1065533256 /nfs/dbraw/zinc/53/32/56/1065533256.db2.gz DFDRHSIZTXMMRQ-OAHLLOKOSA-N 0 0 486.345 4.939 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ccc(C)cc32)c1 ZINC001437296376 1065533234 /nfs/dbraw/zinc/53/32/34/1065533234.db2.gz DGMNEGXFXRYRMR-QFIPXVFZSA-N 0 0 451.544 4.579 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@H]3CCCc4c3ccc(=O)n4C)CCCCC2)c(Br)c1 ZINC001437293164 1065533376 /nfs/dbraw/zinc/53/33/76/1065533376.db2.gz WSJNOOUYXQRAFA-FQEVSTJZSA-N 0 0 457.412 4.852 20 0 JJADRN CCOc1ccc(COC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(C)c1 ZINC001437295156 1065533440 /nfs/dbraw/zinc/53/34/40/1065533440.db2.gz ABTDLGKZUQEDMA-UHFFFAOYSA-N 0 0 459.498 4.556 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(Br)cc(I)c1)CC2 ZINC001437297111 1065533925 /nfs/dbraw/zinc/53/39/25/1065533925.db2.gz HOYGAFJGYIAXJL-INIZCTEOSA-N 0 0 456.121 4.779 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544347 1065533951 /nfs/dbraw/zinc/53/39/51/1065533951.db2.gz HMMZVKDMPXYIGG-SJLPKXTDSA-N 0 0 467.536 4.979 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N(CCC(F)(F)F)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544599 1065534243 /nfs/dbraw/zinc/53/42/43/1065534243.db2.gz MGZXMUMXDOQHBQ-INIZCTEOSA-N 0 0 482.551 4.764 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360544743 1065534282 /nfs/dbraw/zinc/53/42/82/1065534282.db2.gz OXZPOBQLBGFZFQ-IBGZPJMESA-N 0 0 487.620 4.879 20 0 JJADRN O=C(c1ccc(OCC2CC2)nc1)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437303395 1065534271 /nfs/dbraw/zinc/53/42/71/1065534271.db2.gz PEWGEPHBHMSUAY-UHFFFAOYSA-N 0 0 457.246 4.691 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)COc3cccc(Br)c3)sc2c1C ZINC001437307202 1065535091 /nfs/dbraw/zinc/53/50/91/1065535091.db2.gz ZZJCKBFFKUCGRX-UHFFFAOYSA-N 0 0 455.355 4.623 20 0 JJADRN Cc1ccc(N(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C(C)C)cc1Br ZINC001437305777 1065535120 /nfs/dbraw/zinc/53/51/20/1065535120.db2.gz YCCZDHLFWJFLDT-UHFFFAOYSA-N 0 0 450.764 4.996 20 0 JJADRN COCCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437311718 1065535442 /nfs/dbraw/zinc/53/54/42/1065535442.db2.gz BWLIQWFPQIDUAM-WXFUMESZSA-N 0 0 456.627 4.869 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1)N(C)C(=O)OC(C)(C)C ZINC001360545257 1065535991 /nfs/dbraw/zinc/53/59/91/1065535991.db2.gz YLWNWKQZWOMZLG-OFNKIYASSA-N 0 0 495.624 4.979 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360545368 1065536063 /nfs/dbraw/zinc/53/60/63/1065536063.db2.gz CBMJDKBUAIENEP-OAQYLSRUSA-N 0 0 480.657 4.998 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1)N(C)C(=O)OC(C)(C)C ZINC001360545258 1065536074 /nfs/dbraw/zinc/53/60/74/1065536074.db2.gz YLWNWKQZWOMZLG-REWPJTCUSA-N 0 0 495.624 4.979 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001360546024 1065536937 /nfs/dbraw/zinc/53/69/37/1065536937.db2.gz CGEHNEYFOMCWEY-UHFFFAOYSA-N 0 0 459.550 4.705 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCOc1ccccc1Cl)c1nccs1 ZINC001360545800 1065537110 /nfs/dbraw/zinc/53/71/10/1065537110.db2.gz KQLJQBFTIXNEEW-MRXNPFEDSA-N 0 0 457.003 4.712 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CC[C@@H](C)c1ccccc1 ZINC001545906322 1065537657 /nfs/dbraw/zinc/53/76/57/1065537657.db2.gz WMDALAOSVQERET-PTUXOGIPSA-N 0 0 453.631 4.538 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001437333420 1065537766 /nfs/dbraw/zinc/53/77/66/1065537766.db2.gz KLXSTGDVOWRCPH-UHFFFAOYSA-N 0 0 451.470 4.634 20 0 JJADRN COc1ccc(CC(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)cc1OC(F)F ZINC001437328329 1065537787 /nfs/dbraw/zinc/53/77/87/1065537787.db2.gz BRNSYJNXXNGDIL-UHFFFAOYSA-N 0 0 455.383 4.991 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)cc1C ZINC001437328002 1065537798 /nfs/dbraw/zinc/53/77/98/1065537798.db2.gz BIFZCOKZVHLIES-VJVDVCSOSA-N 0 0 456.652 4.916 20 0 JJADRN Cc1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001437335722 1065538111 /nfs/dbraw/zinc/53/81/11/1065538111.db2.gz OYQXQIQWVWXHFH-UHFFFAOYSA-N 0 0 458.440 4.566 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)[C@@H](C)CO1 ZINC001437338948 1065538154 /nfs/dbraw/zinc/53/81/54/1065538154.db2.gz WNFHZSLTCOWDEH-FUHWJXTLSA-N 0 0 450.535 4.567 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360547139 1065538735 /nfs/dbraw/zinc/53/87/35/1065538735.db2.gz ZAUJHZYWLSTHIY-TZIWHRDSSA-N 0 0 494.615 4.804 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360547143 1065539259 /nfs/dbraw/zinc/53/92/59/1065539259.db2.gz ZBBAGGJSKJISOK-LAUBAEHRSA-N 0 0 455.990 4.712 20 0 JJADRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(Cl)cccc2Oc2cc(C)cc(C)c2)C1 ZINC001437344717 1065539532 /nfs/dbraw/zinc/53/95/32/1065539532.db2.gz IEHZXCQSSSABIF-QGZVFWFLSA-N 0 0 450.988 4.749 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccccc1 ZINC001360548426 1065539711 /nfs/dbraw/zinc/53/97/11/1065539711.db2.gz ATHSLXLEFSPAER-HNNXBMFYSA-N 0 0 474.512 4.919 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCOc4c(C)cc(C)cc43)cc2)c1 ZINC001437348656 1065540392 /nfs/dbraw/zinc/54/03/92/1065540392.db2.gz QNRBTULQLJNJBF-UHFFFAOYSA-N 0 0 451.544 4.727 20 0 JJADRN CNC(=O)[C@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)Cc1ccc(C(F)(F)F)cc1 ZINC001437353824 1065540837 /nfs/dbraw/zinc/54/08/37/1065540837.db2.gz PTTBXNDCROZSMT-KRWDZBQOSA-N 0 0 454.920 4.649 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360550186 1065541753 /nfs/dbraw/zinc/54/17/53/1065541753.db2.gz HHYYOCQYISXSNV-MOPGFXCFSA-N 0 0 498.603 4.621 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001360550750 1065542329 /nfs/dbraw/zinc/54/23/29/1065542329.db2.gz ABAHTTWYHYRJEA-FQEVSTJZSA-N 0 0 452.929 4.981 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccc1 ZINC001437366642 1065542739 /nfs/dbraw/zinc/54/27/39/1065542739.db2.gz OXDFVHXMQGAGPP-VWLOTQADSA-N 0 0 454.567 4.908 20 0 JJADRN Cc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2C)cc1N1CCCS1(=O)=O ZINC001360551277 1065542778 /nfs/dbraw/zinc/54/27/78/1065542778.db2.gz JTKVHCJLFQUPSA-UHFFFAOYSA-N 0 0 458.624 4.939 20 0 JJADRN CCCCN(C(=O)c1cc(OC)cc(Br)c1OC)[C@H]1CCc2ncsc2C1 ZINC001437368239 1065542890 /nfs/dbraw/zinc/54/28/90/1065542890.db2.gz DQZFLHNFPWATLM-ZDUSSCGKSA-N 0 0 453.402 4.723 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)CCCCCC1 ZINC001437364731 1065542963 /nfs/dbraw/zinc/54/29/63/1065542963.db2.gz LPZZWPIJVHGYLN-UHFFFAOYSA-N 0 0 453.539 4.966 20 0 JJADRN Cc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1N1CCCS1(=O)=O ZINC001360551701 1065543019 /nfs/dbraw/zinc/54/30/19/1065543019.db2.gz VVZSKWLVVQULCF-UHFFFAOYSA-N 0 0 450.560 4.610 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001360551593 1065543093 /nfs/dbraw/zinc/54/30/93/1065543093.db2.gz RCDITUZVSATHLU-CYBMUJFWSA-N 0 0 457.365 4.557 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360553728 1065544546 /nfs/dbraw/zinc/54/45/46/1065544546.db2.gz CLNZVDFUOBXBLI-YLJYHZDGSA-N 0 0 485.604 4.649 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001360553834 1065544556 /nfs/dbraw/zinc/54/45/56/1065544556.db2.gz DFFAKVDGCRZQST-KRWDZBQOSA-N 0 0 473.593 4.598 20 0 JJADRN C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)Sc1ccccc1 ZINC001360553627 1065544680 /nfs/dbraw/zinc/54/46/80/1065544680.db2.gz PPUBFOSHOKPYIS-MRXNPFEDSA-N 0 0 494.637 4.510 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c2cnccc21 ZINC001437379896 1065545224 /nfs/dbraw/zinc/54/52/24/1065545224.db2.gz OGGIYCHVNYXBHX-UHFFFAOYSA-N 0 0 453.907 4.731 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001437380551 1065545558 /nfs/dbraw/zinc/54/55/58/1065545558.db2.gz MKUQQTGBDXZNBA-KRWDZBQOSA-N 0 0 450.304 4.588 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360555455 1065545854 /nfs/dbraw/zinc/54/58/54/1065545854.db2.gz VQUTWQRFWMQAHJ-IRXDYDNUSA-N 0 0 476.021 4.722 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccc(F)cc1 ZINC001360557808 1065547062 /nfs/dbraw/zinc/54/70/62/1065547062.db2.gz GFKIWWZYFDAOEN-OALUTQOASA-N 0 0 487.620 4.845 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)c2sccc2S(=O)(=O)C(F)F)c(Cl)c1 ZINC001437396170 1065547352 /nfs/dbraw/zinc/54/73/52/1065547352.db2.gz PTTLSHNZGXHPJU-UHFFFAOYSA-N 0 0 453.872 4.574 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360558441 1065547625 /nfs/dbraw/zinc/54/76/25/1065547625.db2.gz QJVKRYSVHWAEEI-HLIPFELVSA-N 0 0 473.593 4.502 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360559078 1065548650 /nfs/dbraw/zinc/54/86/50/1065548650.db2.gz WEWBHPXKLJYWMJ-MOPGFXCFSA-N 0 0 486.636 4.655 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559631 1065549026 /nfs/dbraw/zinc/54/90/26/1065549026.db2.gz KKYLOAFGYXSODV-AABGKKOBSA-N 0 0 479.666 4.559 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360559751 1065549718 /nfs/dbraw/zinc/54/97/18/1065549718.db2.gz MIQWCRRZGXJHKY-BVYCBKJFSA-N 0 0 487.620 4.956 20 0 JJADRN O=C([C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1CCS[C@H](c2ccccc2)C1 ZINC001437419985 1065549766 /nfs/dbraw/zinc/54/97/66/1065549766.db2.gz AQKIGYFHHGRIBM-LEWJYISDSA-N 0 0 451.419 4.683 20 0 JJADRN CCn1c(SCC(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)nnc1-c1cccs1 ZINC001437421581 1065550153 /nfs/dbraw/zinc/55/01/53/1065550153.db2.gz GCDQTQFYXWYUOH-SFHVURJKSA-N 0 0 456.637 4.751 20 0 JJADRN CCn1c(SCC(=O)N2CCCC[C@@H]2Cc2ccc(OC)cc2)nnc1-c1cccs1 ZINC001437421580 1065550227 /nfs/dbraw/zinc/55/02/27/1065550227.db2.gz GCDQTQFYXWYUOH-GOSISDBHSA-N 0 0 456.637 4.751 20 0 JJADRN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H](C)Sc2ccccc2)C1 ZINC001360560331 1065550266 /nfs/dbraw/zinc/55/02/66/1065550266.db2.gz VCXSSRPSBGWSMP-PZJWPPBQSA-N 0 0 455.672 4.858 20 0 JJADRN O=C(c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)N1CCS[C@H](c2ccccc2)C1 ZINC001437423529 1065550803 /nfs/dbraw/zinc/55/08/03/1065550803.db2.gz QDKFSZKYAKAVAX-SFHVURJKSA-N 0 0 452.889 4.870 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3cc(Br)ccc31)C2 ZINC001437423493 1065550849 /nfs/dbraw/zinc/55/08/49/1065550849.db2.gz PTMNUPWQGYEBAZ-QUZZAMIASA-N 0 0 463.416 4.632 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1nccs1 ZINC001360560345 1065550970 /nfs/dbraw/zinc/55/09/70/1065550970.db2.gz VGEJLFZKJZATCE-JLTOFOAXSA-N 0 0 457.566 4.726 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSc1ccc(Br)cc1)C2 ZINC001437426302 1065551242 /nfs/dbraw/zinc/55/12/42/1065551242.db2.gz XTVYBCWPYHIYIY-BTYIYWSLSA-N 0 0 469.445 4.695 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Oc3cccc(C(C)(C)C)c3Cl)C2)cc1 ZINC001437438371 1065551732 /nfs/dbraw/zinc/55/17/32/1065551732.db2.gz FCWPNSZMWXJKSV-QGZVFWFLSA-N 0 0 450.000 4.952 20 0 JJADRN COCc1ccc(NC(=O)c2cc(I)ccc2F)cc1C(F)(F)F ZINC001437436112 1065551755 /nfs/dbraw/zinc/55/17/55/1065551755.db2.gz IMWOEVCFXHWFCH-UHFFFAOYSA-N 0 0 453.173 4.848 20 0 JJADRN CC(C)(C)c1cccc(OC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1Cl ZINC001437441655 1065552456 /nfs/dbraw/zinc/55/24/56/1065552456.db2.gz VGVMCSLSZGJAKB-UHFFFAOYSA-N 0 0 450.000 4.960 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)c1nccs1 ZINC001360562520 1065552508 /nfs/dbraw/zinc/55/25/08/1065552508.db2.gz DECUKWOJVYPKEY-OALUTQOASA-N 0 0 497.669 4.684 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)c1nccs1 ZINC001360562522 1065552627 /nfs/dbraw/zinc/55/26/27/1065552627.db2.gz DECUKWOJVYPKEY-RTBURBONSA-N 0 0 497.669 4.684 20 0 JJADRN C[C@@]1(CCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C[C@@]1(F)Cl ZINC001437442855 1065553012 /nfs/dbraw/zinc/55/30/12/1065553012.db2.gz YZJRBYHJQZDACS-UXHICEINSA-N 0 0 454.771 4.948 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccc(Cl)cc1 ZINC001360562863 1065553016 /nfs/dbraw/zinc/55/30/16/1065553016.db2.gz DLXXZJHHWNSMRZ-HUUCEWRRSA-N 0 0 495.805 4.895 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001437446351 1065553033 /nfs/dbraw/zinc/55/30/33/1065553033.db2.gz ZVQGXKIAIRXNNP-QFIPXVFZSA-N 0 0 458.599 4.546 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360563785 1065553752 /nfs/dbraw/zinc/55/37/52/1065553752.db2.gz MJXNKWIRSQFLPI-OHUMZHCVSA-N 0 0 483.657 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC001437454472 1065554126 /nfs/dbraw/zinc/55/41/26/1065554126.db2.gz QAMAGGQKAPVGSQ-KRWDZBQOSA-N 0 0 453.564 4.818 20 0 JJADRN O=C(NCCc1ccc(I)s1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001360567460 1065554399 /nfs/dbraw/zinc/55/43/99/1065554399.db2.gz HRHXVTATOYOEAG-ZDUSSCGKSA-N 0 0 457.230 4.741 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001437456894 1065554683 /nfs/dbraw/zinc/55/46/83/1065554683.db2.gz WEJJPHPBINISJU-LJQANCHMSA-N 0 0 454.567 4.970 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)c2cccc(N=S(C)(C)=O)c2)C1 ZINC001437457033 1065554817 /nfs/dbraw/zinc/55/48/17/1065554817.db2.gz XCKPBNVTHXLDTI-FQEVSTJZSA-N 0 0 457.596 4.532 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437459335 1065555327 /nfs/dbraw/zinc/55/53/27/1065555327.db2.gz GXDGCTNQEXHGQY-OAHLLOKOSA-N 0 0 450.383 4.598 20 0 JJADRN C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1)Oc1ccc(F)cc1 ZINC001360564871 1065555599 /nfs/dbraw/zinc/55/55/99/1065555599.db2.gz SIOUUGHWGUGTJL-GOSISDBHSA-N 0 0 487.620 4.988 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001360564522 1065555614 /nfs/dbraw/zinc/55/56/14/1065555614.db2.gz OOJJGHWUJJYQGX-MJGOQNOKSA-N 0 0 476.643 4.600 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001360564524 1065555645 /nfs/dbraw/zinc/55/56/45/1065555645.db2.gz OOJJGHWUJJYQGX-PKOBYXMFSA-N 0 0 476.643 4.600 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437463378 1065555907 /nfs/dbraw/zinc/55/59/07/1065555907.db2.gz RQODETOUCQDPCQ-MRXNPFEDSA-N 0 0 454.773 4.521 20 0 JJADRN C[C@H](Sc1nc(CC(=O)N2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)cs1)C(N)=O ZINC001437463399 1065556039 /nfs/dbraw/zinc/55/60/39/1065556039.db2.gz RZTGHOYABADXEW-UPCLLVRISA-N 0 0 459.681 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c2ccccc21 ZINC001360566352 1065557400 /nfs/dbraw/zinc/55/74/00/1065557400.db2.gz LRUQCYJVAIXZIB-NRFANRHFSA-N 0 0 457.477 4.636 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC001360567281 1065557997 /nfs/dbraw/zinc/55/79/97/1065557997.db2.gz VVTHAENSLGDCTF-UHFFFAOYSA-N 0 0 452.454 4.774 20 0 JJADRN COC[C@H](C)[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I ZINC001360567435 1065558395 /nfs/dbraw/zinc/55/83/95/1065558395.db2.gz HGNJQVWTSVVNIK-NJSLBKSFSA-N 0 0 455.311 4.555 20 0 JJADRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCc1ccc(I)s1 ZINC001360567363 1065558612 /nfs/dbraw/zinc/55/86/12/1065558612.db2.gz FZQQCOQTHTYKPT-CYBMUJFWSA-N 0 0 457.377 4.776 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cc(Br)nn2C)ccc1Cl ZINC001360567332 1065558674 /nfs/dbraw/zinc/55/86/74/1065558674.db2.gz WZOMYFOFZUBMGE-UHFFFAOYSA-N 0 0 458.747 4.795 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC001437474046 1065558803 /nfs/dbraw/zinc/55/88/03/1065558803.db2.gz VITIVRCCICKVMX-QFIPXVFZSA-N 0 0 453.457 4.848 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCC(F)(F)c1cccc(F)c1 ZINC001437474838 1065558874 /nfs/dbraw/zinc/55/88/74/1065558874.db2.gz VPCVZRBJOIIMSK-FNUUXAGOSA-N 0 0 450.888 4.782 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1C[C@H]1c1cccnc1 ZINC001360567833 1065559116 /nfs/dbraw/zinc/55/91/16/1065559116.db2.gz VVLKZEXEHXYNCR-QKNQBKEWSA-N 0 0 472.301 4.835 20 0 JJADRN O=C(CCSc1cccc(Cl)c1)NCCc1ccc(I)s1 ZINC001360567685 1065559167 /nfs/dbraw/zinc/55/91/67/1065559167.db2.gz PXNAANBWEHSWDM-UHFFFAOYSA-N 0 0 451.782 4.847 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001437475260 1065559249 /nfs/dbraw/zinc/55/92/49/1065559249.db2.gz MOOBPEOJMDVZBE-YSCIFQABSA-N 0 0 472.523 4.563 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC001437478167 1065560022 /nfs/dbraw/zinc/56/00/22/1065560022.db2.gz HURIWAZFYRIHMS-FZKQIMNGSA-N 0 0 454.748 4.843 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)Oc1cccc(F)c1 ZINC001360568370 1065560171 /nfs/dbraw/zinc/56/01/71/1065560171.db2.gz CFMQHUYHAYXNMR-DYESRHJHSA-N 0 0 454.594 4.721 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F)Sc1ccccc1 ZINC001360568441 1065560207 /nfs/dbraw/zinc/56/02/07/1065560207.db2.gz CMHRIDROJSRUEX-MRXNPFEDSA-N 0 0 463.602 4.541 20 0 JJADRN CSc1cc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001437483834 1065560679 /nfs/dbraw/zinc/56/06/79/1065560679.db2.gz RAIUNJLLGXVBKB-UHFFFAOYSA-N 0 0 455.418 4.785 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCc1cc(C)ccc1OC ZINC001545907193 1065561414 /nfs/dbraw/zinc/56/14/14/1065561414.db2.gz CAGHVKPZTOBEAX-DENIHFKCSA-N 0 0 453.631 4.525 20 0 JJADRN C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC001360569090 1065561380 /nfs/dbraw/zinc/56/13/80/1065561380.db2.gz GHDITBMCCSXETJ-AVRDEDQJSA-N 0 0 485.629 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1Cc1cc(-c2ccccc2)no1 ZINC001545907229 1065561890 /nfs/dbraw/zinc/56/18/90/1065561890.db2.gz DINGAFZAURHYCS-UHFFFAOYSA-N 0 0 450.587 4.670 20 0 JJADRN CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1Cl ZINC001437496698 1065562333 /nfs/dbraw/zinc/56/23/33/1065562333.db2.gz UPSIFDCBMPFQCX-HNNXBMFYSA-N 0 0 458.704 4.654 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001360569329 1065562630 /nfs/dbraw/zinc/56/26/30/1065562630.db2.gz OUMYYIFWLWLNLG-UHFFFAOYSA-N 0 0 452.436 4.805 20 0 JJADRN CNC(=O)Oc1cccc(OC(=O)c2ccccc2OCc2ccc(Br)cc2)c1 ZINC001437502073 1065563068 /nfs/dbraw/zinc/56/30/68/1065563068.db2.gz JHVYSNDPEWWNGR-UHFFFAOYSA-N 0 0 456.292 4.966 20 0 JJADRN C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360570138 1065563110 /nfs/dbraw/zinc/56/31/10/1065563110.db2.gz OVOKQACGMUJBFH-CVEARBPZSA-N 0 0 499.553 4.884 20 0 JJADRN CN(C(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1)C1CC(C)(C)CC(C)(C)C1 ZINC001437503533 1065563600 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XSCPVNGBGHKMTL-INIZCTEOSA-N 0 0 475.540 4.632 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C)c1nc(-c2ccccc2)no1 ZINC001360571292 1065565112 /nfs/dbraw/zinc/56/51/12/1065565112.db2.gz TWSYVWMFPUGZGL-INIZCTEOSA-N 0 0 483.020 4.744 20 0 JJADRN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC001437513011 1065565615 /nfs/dbraw/zinc/56/56/15/1065565615.db2.gz SEZZIHMWEOCGGC-QMHKHESXSA-N 0 0 454.979 4.623 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001360571606 1065565561 /nfs/dbraw/zinc/56/55/61/1065565561.db2.gz YVDHWIJBNMXJTM-HNNXBMFYSA-N 0 0 459.557 4.821 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)c3ccccc3)c1)CCC2 ZINC001437513376 1065566059 /nfs/dbraw/zinc/56/60/59/1065566059.db2.gz ZNHGTKURDLVIED-HSZRJFAPSA-N 0 0 456.542 4.884 20 0 JJADRN O=C(N1CCC[C@H]([C@@H]2CCCCN2C(=O)C(F)(F)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC001437520397 1065566083 /nfs/dbraw/zinc/56/60/83/1065566083.db2.gz JUIIOHINUGBMOY-BBRMVZONSA-N 0 0 452.851 4.614 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCS(=O)(=O)c1ccccc1 ZINC001360572522 1065566234 /nfs/dbraw/zinc/56/62/34/1065566234.db2.gz LMJYSRZRGSFHBM-HKNLLREHSA-N 0 0 452.403 4.782 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)F)C1)Oc1ccc(Cl)cc1 ZINC001360572869 1065566274 /nfs/dbraw/zinc/56/62/74/1065566274.db2.gz AIQFDVMPYREPFI-SJORKVTESA-N 0 0 461.944 4.866 20 0 JJADRN C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)c1nccs1 ZINC001360573195 1065566633 /nfs/dbraw/zinc/56/66/33/1065566633.db2.gz HFFRJAFAKUAMFQ-CQSZACIVSA-N 0 0 462.392 4.757 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360572977 1065566715 /nfs/dbraw/zinc/56/67/15/1065566715.db2.gz CBOZYSJUONFOSD-SJORKVTESA-N 0 0 463.479 4.649 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360572974 1065566761 /nfs/dbraw/zinc/56/67/61/1065566761.db2.gz CBOZYSJUONFOSD-DLBZAZTESA-N 0 0 463.479 4.649 20 0 JJADRN 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RTDHIBXHSGEESI-SJLPKXTDSA-N 0 0 478.362 4.506 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001360577364 1065572546 /nfs/dbraw/zinc/57/25/46/1065572546.db2.gz BCGNANALDRAWIB-GOSISDBHSA-N 0 0 487.620 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2coc(-c3ccccc3)n2)C1 ZINC001437552923 1065572492 /nfs/dbraw/zinc/57/24/92/1065572492.db2.gz SQOWLKCJRSIWTA-DHIUTWEWSA-N 0 0 479.552 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)COc2ccc(Cl)c(F)c2)C1 ZINC001437552490 1065572682 /nfs/dbraw/zinc/57/26/82/1065572682.db2.gz QONWVFHHVOZEBB-WIYYLYMNSA-N 0 0 462.949 4.767 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCOC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360577507 1065572995 /nfs/dbraw/zinc/57/29/95/1065572995.db2.gz BWWDRWHXJOXISV-HXUWFJFHSA-N 0 0 475.678 4.806 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccsc1Br ZINC001545907672 1065572992 /nfs/dbraw/zinc/57/29/92/1065572992.db2.gz ORBVVTKRYQMKLO-CQSZACIVSA-N 0 0 468.465 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C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CC(F)(F)F)c1nc(-c2ccccc2)no1 ZINC001360578751 1065574493 /nfs/dbraw/zinc/57/44/93/1065574493.db2.gz LNABVUAQBRLVTR-CQSZACIVSA-N 0 0 462.501 4.783 20 0 JJADRN CCCCS[C@H](C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001437556615 1065574601 /nfs/dbraw/zinc/57/46/01/1065574601.db2.gz KBQUQQPKPRJWKO-QMMLZNLJSA-N 0 0 450.645 4.826 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360578953 1065575292 /nfs/dbraw/zinc/57/52/92/1065575292.db2.gz OJOUORBNSPDHNE-KCZVDYSFSA-N 0 0 483.657 4.828 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360579477 1065575705 /nfs/dbraw/zinc/57/57/05/1065575705.db2.gz RUNBYLNRSNLEEE-OFNKIYASSA-N 0 0 482.673 4.591 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N(Cc1ccc(F)cc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360579112 1065575790 /nfs/dbraw/zinc/57/57/90/1065575790.db2.gz OWSSENZRBWPVCC-MRXNPFEDSA-N 0 0 475.584 4.933 20 0 JJADRN 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ZINC001437807645 1065612753 /nfs/dbraw/zinc/61/27/53/1065612753.db2.gz PAEDMDFUNYZXHI-ZDUSSCGKSA-N 0 0 456.365 4.711 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c4ncccc34)CC2=O)c1 ZINC001437807642 1065612775 /nfs/dbraw/zinc/61/27/75/1065612775.db2.gz PAEDMDFUNYZXHI-CYBMUJFWSA-N 0 0 456.365 4.711 20 0 JJADRN C[C@H](NC(=O)CSC(=S)N1CCC(C)CC1)c1cc(F)c(Br)cc1F ZINC001437809459 1065612782 /nfs/dbraw/zinc/61/27/82/1065612782.db2.gz CPJDMRDAXATMLG-NSHDSACASA-N 0 0 451.402 4.655 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC001437809019 1065612792 /nfs/dbraw/zinc/61/27/92/1065612792.db2.gz BKCKHMRPCHQHDH-MNOVXSKESA-N 0 0 458.324 4.872 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2ccc(CC(C)C)s2)CCc2cc(Br)ccc2C1 ZINC001437810819 1065612800 /nfs/dbraw/zinc/61/28/00/1065612800.db2.gz BHSNHTDUABNMEE-OAQYLSRUSA-N 0 0 450.398 4.540 20 0 JJADRN NC(=O)C1CCN(c2cccc(NC(=O)c3cccnc3SCC3CCCCC3)c2)CC1 ZINC001360597277 1065612929 /nfs/dbraw/zinc/61/29/29/1065612929.db2.gz 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CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2cc(Br)ccc2OC(C)C)c1C ZINC001545910271 1065620949 /nfs/dbraw/zinc/62/09/49/1065620949.db2.gz OSOLJDCVLBTZNH-CQSZACIVSA-N 0 0 452.393 4.861 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3s2)CC[C@H]1F ZINC001437866926 1065621570 /nfs/dbraw/zinc/62/15/70/1065621570.db2.gz AERKFUQFURMVIG-ZIAGYGMSSA-N 0 0 457.365 4.741 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CO1 ZINC001360600469 1065622992 /nfs/dbraw/zinc/62/29/92/1065622992.db2.gz GGSAAMPCFWCLIK-OCCSQVGLSA-N 0 0 451.869 4.747 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc1 ZINC001360600614 1065623126 /nfs/dbraw/zinc/62/31/26/1065623126.db2.gz ICKJAGLOARAVAU-UHFFFAOYSA-N 0 0 458.605 4.798 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001360600705 1065623141 /nfs/dbraw/zinc/62/31/41/1065623141.db2.gz JDZFIXVAZJSEIM-OAHLLOKOSA-N 0 0 456.848 4.878 20 0 JJADRN C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C 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BANKLNPAVDGWNA-RPWUZVMVSA-N 0 0 497.728 4.995 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)CC2)c1C ZINC001437916813 1065630896 /nfs/dbraw/zinc/63/08/96/1065630896.db2.gz IDNCUSOKHDYZGP-ZCYQVOJMSA-N 0 0 468.663 4.629 20 0 JJADRN CC(C)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001360606592 1065631622 /nfs/dbraw/zinc/63/16/22/1065631622.db2.gz DMEMFBAHWZAAGH-LJQANCHMSA-N 0 0 489.636 4.887 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C ZINC001360606990 1065632533 /nfs/dbraw/zinc/63/25/33/1065632533.db2.gz GQMGGYDMPCTHHO-HOTGVXAUSA-N 0 0 466.051 4.701 20 0 JJADRN CC(C)(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001437931835 1065632667 /nfs/dbraw/zinc/63/26/67/1065632667.db2.gz PRDFTQHRGQYHHK-IBGZPJMESA-N 0 0 458.400 4.524 20 0 JJADRN CC(C)c1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360607395 1065633688 /nfs/dbraw/zinc/63/36/88/1065633688.db2.gz JHESIDIRMSNJEV-AHCFMSJYSA-N 0 0 475.678 4.736 20 0 JJADRN O=C(C=Cc1ccccc1C(F)(F)F)Nc1nc2cc(I)ccc2[nH]1 ZINC001437950239 1065634321 /nfs/dbraw/zinc/63/43/21/1065634321.db2.gz CUYJPEQBGAENNR-VMPITWQZSA-N 0 0 457.193 4.838 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2)nnc1N(C)CCc1cccs1 ZINC001360608296 1065635466 /nfs/dbraw/zinc/63/54/66/1065635466.db2.gz OQYMTDPNVZRREM-GOSISDBHSA-N 0 0 455.628 4.846 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 ZINC001360608611 1065636209 /nfs/dbraw/zinc/63/62/09/1065636209.db2.gz RAUIQBBQGAKHOT-CVEARBPZSA-N 0 0 466.051 4.701 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 ZINC001437961933 1065636224 /nfs/dbraw/zinc/63/62/24/1065636224.db2.gz KJTRAOFCVAFGMQ-MGPUTAFESA-N 0 0 450.398 4.756 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001360608601 1065636279 /nfs/dbraw/zinc/63/62/79/1065636279.db2.gz QVRHVZFKKJBIRO-SQNIBIBYSA-N 0 0 493.649 4.660 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360608691 1065636877 /nfs/dbraw/zinc/63/68/77/1065636877.db2.gz RQIYRSUJEZNONS-ROUUACIJSA-N 0 0 478.037 4.765 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](C)C1 ZINC001360608998 1065637749 /nfs/dbraw/zinc/63/77/49/1065637749.db2.gz XHGQECWOHVGIRJ-JKSUJKDBSA-N 0 0 466.051 4.701 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1C ZINC001360608812 1065637859 /nfs/dbraw/zinc/63/78/59/1065637859.db2.gz UFQDFZRAIUFSMH-KURKYZTESA-N 0 0 461.582 4.707 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1)N1CCCCC1=O ZINC001437964709 1065637879 /nfs/dbraw/zinc/63/78/79/1065637879.db2.gz WDWAJGKSLIUZTR-OALUTQOASA-N 0 0 453.446 4.569 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC001437967471 1065638774 /nfs/dbraw/zinc/63/87/74/1065638774.db2.gz NFEWQHOASZWDMA-OAHLLOKOSA-N 0 0 454.514 4.535 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)NCc3ccc(-c4ccccc4)s3)cc2CN1C(=O)OC(C)(C)C ZINC001437967740 1065638858 /nfs/dbraw/zinc/63/88/58/1065638858.db2.gz MOZILJRDLSAOBZ-MRXNPFEDSA-N 0 0 452.580 4.681 20 0 JJADRN CC[C@H](c1ccccc1)N(C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C(C)C ZINC001437969002 1065639672 /nfs/dbraw/zinc/63/96/72/1065639672.db2.gz WUPITAWIBNBGSP-JOCHJYFZSA-N 0 0 451.567 4.582 20 0 JJADRN Cc1cc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C ZINC001437969027 1065639726 /nfs/dbraw/zinc/63/97/26/1065639726.db2.gz XVBLXDGTGRPAJP-HNNXBMFYSA-N 0 0 450.532 4.672 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCCC2(CCCC2)C1 ZINC001360609520 1065640618 /nfs/dbraw/zinc/64/06/18/1065640618.db2.gz FNUHOXSSOGGRSE-LJQANCHMSA-N 0 0 454.619 4.662 20 0 JJADRN CN(C)[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC001360609457 1065640652 /nfs/dbraw/zinc/64/06/52/1065640652.db2.gz AJXYRKMYYXJFAK-HXUWFJFHSA-N 0 0 452.357 4.613 20 0 JJADRN Cc1cccc([C@@H]2C(=O)NCCN2C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001437971640 1065640686 /nfs/dbraw/zinc/64/06/86/1065640686.db2.gz OQKJPPFEPMVAGA-SFFCAUCYSA-N 0 0 456.386 4.746 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001360609539 1065641066 /nfs/dbraw/zinc/64/10/66/1065641066.db2.gz FSESKCSFCPTMMA-NFBKMPQASA-N 0 0 483.657 4.544 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360609660 1065641227 /nfs/dbraw/zinc/64/12/27/1065641227.db2.gz GJFGDAAYXRFYEV-QGZVFWFLSA-N 0 0 487.670 4.867 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001360609787 1065642242 /nfs/dbraw/zinc/64/22/42/1065642242.db2.gz GYZMNZKFFLCPBA-SJORKVTESA-N 0 0 488.583 4.920 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001360609854 1065643112 /nfs/dbraw/zinc/64/31/12/1065643112.db2.gz CQSPGVMUUICIIL-PKOBYXMFSA-N 0 0 490.048 4.908 20 0 JJADRN COc1ccc(Br)cc1OC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001438002848 1065643939 /nfs/dbraw/zinc/64/39/39/1065643939.db2.gz PIWTXOLNXRURPN-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN CC(C)CN(Cc1cccc(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001438002075 1065644110 /nfs/dbraw/zinc/64/41/10/1065644110.db2.gz MZFKXMOPBFTCCE-UHFFFAOYSA-N 0 0 454.995 4.565 20 0 JJADRN CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001438000721 1065644122 /nfs/dbraw/zinc/64/41/22/1065644122.db2.gz JVAZMTPRAXKEGG-LJQANCHMSA-N 0 0 455.045 4.630 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)Cc1ccco1 ZINC001360610681 1065646373 /nfs/dbraw/zinc/64/63/73/1065646373.db2.gz MYWGEYGGXVAXDI-KRWDZBQOSA-N 0 0 464.570 4.817 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001360610832 1065646423 /nfs/dbraw/zinc/64/64/23/1065646423.db2.gz KBMMOJXPRLAQQS-NHCUHLMSSA-N 0 0 471.646 4.543 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC001438010706 1065646663 /nfs/dbraw/zinc/64/66/63/1065646663.db2.gz MLGMXLVGELXSPG-UHFFFAOYSA-N 0 0 455.452 4.788 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001360611178 1065647052 /nfs/dbraw/zinc/64/70/52/1065647052.db2.gz QMVIXALPHOOBQW-SFHVURJKSA-N 0 0 482.604 4.753 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cs2)cc1 ZINC001438011004 1065647488 /nfs/dbraw/zinc/64/74/88/1065647488.db2.gz CJAXHFSEPIBDOZ-INIZCTEOSA-N 0 0 457.518 4.575 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001438011795 1065647514 /nfs/dbraw/zinc/64/75/14/1065647514.db2.gz GCZJEBYYDVFDOK-CVEARBPZSA-N 0 0 452.901 4.657 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1C[C@@H](C)Oc2cc(Br)ccc21 ZINC001438014472 1065649127 /nfs/dbraw/zinc/64/91/27/1065649127.db2.gz KQTRZFSHKWVSLS-PWSUYJOCSA-N 0 0 459.262 4.910 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360611611 1065649441 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JJADRN C[C@@H](COCc1ccccc1)Cn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360612852 1065654975 /nfs/dbraw/zinc/65/49/75/1065654975.db2.gz AHFULIVWQIJBJO-QGZVFWFLSA-N 0 0 466.548 4.776 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@H](C)Oc2ccc(F)cc2Br)C(F)(F)F)n1 ZINC001438032347 1065655823 /nfs/dbraw/zinc/65/58/23/1065655823.db2.gz IYQZORVURJZJDH-VFZGTOFNSA-N 0 0 452.198 4.606 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360613228 1065655964 /nfs/dbraw/zinc/65/59/64/1065655964.db2.gz BJJJNZHWGHSUGM-KDYSTLNUSA-N 0 0 465.642 4.778 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360613299 1065656846 /nfs/dbraw/zinc/65/68/46/1065656846.db2.gz GZEJVBDYVXPUDD-HLAWJBBLSA-N 0 0 482.547 4.530 20 0 JJADRN CCN(CCOc1ccccc1OC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001438036167 1065657538 /nfs/dbraw/zinc/65/75/38/1065657538.db2.gz NXNQZKVFMCXLJA-CQSZACIVSA-N 0 0 456.764 4.806 20 0 JJADRN COc1ccc(C(=O)NC(C)(C)c2nc3ccccc3s2)c(I)c1 ZINC001438041142 1065657562 /nfs/dbraw/zinc/65/75/62/1065657562.db2.gz FSXNYTCKMSMEGV-UHFFFAOYSA-N 0 0 452.317 4.575 20 0 JJADRN Cc1c(Br)cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)CC(C)C)c(=O)n1C ZINC001438044970 1065658577 /nfs/dbraw/zinc/65/85/77/1065658577.db2.gz SVTVIXLPJSLYLB-UHFFFAOYSA-N 0 0 459.306 4.773 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360613936 1065658630 /nfs/dbraw/zinc/65/86/30/1065658630.db2.gz JEGZRYWOJXAMFE-SQGPQFPESA-N 0 0 461.582 4.627 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Nc3cc(Br)cc(Br)c3)c2O1 ZINC001438044534 1065658652 /nfs/dbraw/zinc/65/86/52/1065658652.db2.gz OVWNCDCAPFNHJO-UHFFFAOYSA-N 0 0 455.146 4.943 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001360614079 1065659254 /nfs/dbraw/zinc/65/92/54/1065659254.db2.gz JLKGXKYTFKXDIM-NRFANRHFSA-N 0 0 480.632 4.580 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)Nc1cc(Br)cc(Br)c1 ZINC001438046531 1065659299 /nfs/dbraw/zinc/65/92/99/1065659299.db2.gz ZYLMWNSFLBHONN-UHFFFAOYSA-N 0 0 452.146 4.520 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@H]([C@@H](C)O)C3)cc12 ZINC001545912675 1065659528 /nfs/dbraw/zinc/65/95/28/1065659528.db2.gz DDYSIDOUQQNRNE-KGLIPLIRSA-N 0 0 452.407 4.994 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)nnc1C(C)(C)C ZINC001360614191 1065660229 /nfs/dbraw/zinc/66/02/29/1065660229.db2.gz KPJNDONVZZDFDG-SQPXAIMNSA-N 0 0 489.705 4.910 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)c1ccccc1CN1CCOCC1 ZINC001438056361 1065660295 /nfs/dbraw/zinc/66/02/95/1065660295.db2.gz PZTTXEDFKSUJQT-UHFFFAOYSA-N 0 0 458.381 4.657 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(Cc2cccnc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360614590 1065660269 /nfs/dbraw/zinc/66/02/69/1065660269.db2.gz MYMKIWYKXPFXCC-LJQANCHMSA-N 0 0 471.527 4.816 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360614329 1065660282 /nfs/dbraw/zinc/66/02/82/1065660282.db2.gz LHYLKKKMCXOGRL-MIZPHKNDSA-N 0 0 483.657 4.748 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(-c2cc(Br)cn2C)nnc1N1CC=CCC1 ZINC001360614850 1065660818 /nfs/dbraw/zinc/66/08/18/1065660818.db2.gz OQLUYKAKORCIHD-GOSISDBHSA-N 0 0 470.415 4.665 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N(C)Cc2cc(F)c(F)c(F)c2)nnc1C(C)(C)C ZINC001360614727 1065660867 /nfs/dbraw/zinc/66/08/67/1065660867.db2.gz ONPTZDSFRVIUGM-AWEZNQCLSA-N 0 0 469.552 4.790 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1Cl ZINC001360614909 1065661869 /nfs/dbraw/zinc/66/18/69/1065661869.db2.gz PATCLDULEHSISM-VQIMIIECSA-N 0 0 464.010 4.580 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001360614999 1065661982 /nfs/dbraw/zinc/66/19/82/1065661982.db2.gz PRCPARQPRKVGAK-OALUTQOASA-N 0 0 490.718 4.681 20 0 JJADRN Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001438063807 1065663138 /nfs/dbraw/zinc/66/31/38/1065663138.db2.gz OKYKKOCIYGOKHH-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)CCc1cccc(F)c1Br)c1ccccc1 ZINC001438063243 1065663293 /nfs/dbraw/zinc/66/32/93/1065663293.db2.gz SPKBKQGSISZOQA-QFIPXVFZSA-N 0 0 450.348 4.894 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)CCc1cccc(F)c1Br)c1ccccc1 ZINC001438063242 1065663352 /nfs/dbraw/zinc/66/33/52/1065663352.db2.gz SPKBKQGSISZOQA-JOCHJYFZSA-N 0 0 450.348 4.894 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001360615481 1065663544 /nfs/dbraw/zinc/66/35/44/1065663544.db2.gz UCOWBSAWTGBVNF-OXQOHEQNSA-N 0 0 476.021 4.507 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360615524 1065663550 /nfs/dbraw/zinc/66/35/50/1065663550.db2.gz UGSPKOMYEHSBNJ-LEWJYISDSA-N 0 0 483.657 4.529 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NCc1cccc(-n2cncn2)c1 ZINC001360615393 1065663572 /nfs/dbraw/zinc/66/35/72/1065663572.db2.gz RWNDATBCLJMNFL-UHFFFAOYSA-N 0 0 457.481 4.956 20 0 JJADRN COc1ccc(CC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)cc1OC(F)F ZINC001438064833 1065664196 /nfs/dbraw/zinc/66/41/96/1065664196.db2.gz OGKZRJRAWMEBFX-UHFFFAOYSA-N 0 0 456.283 4.806 20 0 JJADRN COCCOc1cc(C(=O)Nc2cnc(Br)c3ccccc23)nc2ccccc21 ZINC001438064745 1065664227 /nfs/dbraw/zinc/66/42/27/1065664227.db2.gz SALMZHKHIBXUFJ-UHFFFAOYSA-N 0 0 452.308 4.823 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cnc(Br)c3ccccc23)[C@@H]1c1cccc(Cl)c1 ZINC001438068343 1065664805 /nfs/dbraw/zinc/66/48/05/1065664805.db2.gz JTIYCPZKMJRCLL-APWZRJJASA-N 0 0 458.743 4.809 20 0 JJADRN COc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001438067095 1065664819 /nfs/dbraw/zinc/66/48/19/1065664819.db2.gz SQTZZQVGRZOTIL-SOAMZJECSA-N 0 0 451.629 4.733 20 0 JJADRN C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)COCc2ccccc2)CC1)C(F)(F)F ZINC001360616115 1065665866 /nfs/dbraw/zinc/66/58/66/1065665866.db2.gz ZCGBDOKQUXWGOR-LEWJYISDSA-N 0 0 493.618 4.937 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360616047 1065665919 /nfs/dbraw/zinc/66/59/19/1065665919.db2.gz YCLKZRCAFOSGKW-DHLKQENFSA-N 0 0 477.653 4.901 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)Nc1cnc(Br)c2ccccc12 ZINC001438072520 1065665938 /nfs/dbraw/zinc/66/59/38/1065665938.db2.gz RDPLPNAEMFVTRH-UHFFFAOYSA-N 0 0 455.230 4.956 20 0 JJADRN COC[C@H](C)Oc1ccc(COC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)cc1 ZINC001438075099 1065665968 /nfs/dbraw/zinc/66/59/68/1065665968.db2.gz KYANADMABATONY-FQEVSTJZSA-N 0 0 459.546 4.867 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)CC1 ZINC001360616278 1065666027 /nfs/dbraw/zinc/66/60/27/1065666027.db2.gz BXYYSAPHMKSSDG-QUCCMNQESA-N 0 0 451.405 4.835 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccccc2OCc2ccccc2Cl)c1 ZINC001360620121 1065666299 /nfs/dbraw/zinc/66/62/99/1065666299.db2.gz OAZXVHKNNGHPGL-UHFFFAOYSA-N 0 0 459.951 4.526 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC001360617482 1065666326 /nfs/dbraw/zinc/66/63/26/1065666326.db2.gz XMDOGPCJPNDYFZ-GJULWVSJSA-N 0 0 451.567 4.963 20 0 JJADRN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(Cl)s1 ZINC001360619746 1065666386 /nfs/dbraw/zinc/66/63/86/1065666386.db2.gz ZNPJVKZDTOHSHS-NSHDSACASA-N 0 0 493.869 4.884 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)C(F)(F)F ZINC001545912959 1065666404 /nfs/dbraw/zinc/66/64/04/1065666404.db2.gz NMTSGCVZMYSMKU-AQWIKTBWSA-N 0 0 492.542 4.902 20 0 JJADRN CCOC(=O)CN(C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccc(F)cn1 ZINC001360620014 1065666517 /nfs/dbraw/zinc/66/65/17/1065666517.db2.gz JQVJFSMKTNUSBE-UHFFFAOYSA-N 0 0 452.269 4.701 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCCCO[C@@H]2CCCc3ccccc32)c1-c1ccc(F)cc1 ZINC001360621295 1065668141 /nfs/dbraw/zinc/66/81/41/1065668141.db2.gz WOAGIHJCUXAKFT-JOCHJYFZSA-N 0 0 454.567 4.625 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nnn(-c2ccc(F)cc2)c1C ZINC001438093683 1065669241 /nfs/dbraw/zinc/66/92/41/1065669241.db2.gz SZLQTBOQXQIJAN-UHFFFAOYSA-N 0 0 457.918 4.964 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC001360625236 1065669694 /nfs/dbraw/zinc/66/96/94/1065669694.db2.gz RCGUILOBXFXFKK-UZUQRXQVSA-N 0 0 457.477 4.550 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC001360625359 1065669755 /nfs/dbraw/zinc/66/97/55/1065669755.db2.gz WIUDLIDJRFKVGV-UHFFFAOYSA-N 0 0 451.411 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2nc(F)ccc2Br)C1 ZINC001360625393 1065669805 /nfs/dbraw/zinc/66/98/05/1065669805.db2.gz BOSSJCHMVIAXPU-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)OC)cc1OC ZINC001438095746 1065669910 /nfs/dbraw/zinc/66/99/10/1065669910.db2.gz FAGPACQWFNXUSF-QFIPXVFZSA-N 0 0 454.350 4.695 20 0 JJADRN CO[C@]12CCC[C@@]1(C(=O)Nc1ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc1)CCO2 ZINC001360626006 1065670527 /nfs/dbraw/zinc/67/05/27/1065670527.db2.gz SUDZZANZGHQMHQ-GOTSBHOMSA-N 0 0 462.468 4.507 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)Cc2ccc(OCc3ccncc3)cc2)c1 ZINC001360626070 1065670570 /nfs/dbraw/zinc/67/05/70/1065670570.db2.gz UKYGPMUIRUATBZ-UHFFFAOYSA-N 0 0 458.587 4.930 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CCCCC1 ZINC001438097694 1065670687 /nfs/dbraw/zinc/67/06/87/1065670687.db2.gz NIUWJQNHSPFOCA-UHFFFAOYSA-N 0 0 455.020 4.600 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001438097625 1065670780 /nfs/dbraw/zinc/67/07/80/1065670780.db2.gz CQNJEFBTQWFMFD-RTWAWAEBSA-N 0 0 457.368 4.779 20 0 JJADRN CC(F)(F)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CCCO)CC1 ZINC001360626510 1065671283 /nfs/dbraw/zinc/67/12/83/1065671283.db2.gz LVWSWMFMGKPLAW-UHFFFAOYSA-N 0 0 463.392 4.803 20 0 JJADRN COc1cc(Br)ccc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001438101648 1065671707 /nfs/dbraw/zinc/67/17/07/1065671707.db2.gz UYFCDUAXORVNHQ-UHFFFAOYSA-N 0 0 456.333 4.565 20 0 JJADRN COc1cc(-c2cc(C(=O)NCC[C@H]3CCCS3)c3ccccc3n2)cc(OC)c1OC ZINC001438104067 1065671737 /nfs/dbraw/zinc/67/17/37/1065671737.db2.gz LEMSKOXHSQQXMU-QGZVFWFLSA-N 0 0 452.576 4.943 20 0 JJADRN CC(F)(F)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001360626728 1065672105 /nfs/dbraw/zinc/67/21/05/1065672105.db2.gz SRGNGSWIDFAVFU-GOSISDBHSA-N 0 0 461.376 4.821 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1Br ZINC001438109906 1065672412 /nfs/dbraw/zinc/67/24/12/1065672412.db2.gz ZQIRTWBGVXOCAO-NRFANRHFSA-N 0 0 452.776 4.716 20 0 JJADRN CC(F)(F)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360627101 1065673060 /nfs/dbraw/zinc/67/30/60/1065673060.db2.gz FAPNZOFBQRGYRE-UHFFFAOYSA-N 0 0 472.289 4.982 20 0 JJADRN CC(F)(F)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360627075 1065673191 /nfs/dbraw/zinc/67/31/91/1065673191.db2.gz DNVGAECCZGOANX-UHFFFAOYSA-N 0 0 469.861 4.666 20 0 JJADRN O=C(NCC1([C@@H]2CCCCO2)CCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001438113820 1065673225 /nfs/dbraw/zinc/67/32/25/1065673225.db2.gz XLVXVPVICWBSOP-PXNSSMCTSA-N 0 0 453.410 4.701 20 0 JJADRN CCOC(=O)[C@@]1(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CCCOC1 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/nfs/dbraw/zinc/71/52/52/1065715252.db2.gz TYCVFLYXHXEBBZ-MBPYSEENSA-N 0 0 450.579 4.803 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCS2)C1 ZINC001360642080 1065715656 /nfs/dbraw/zinc/71/56/56/1065715656.db2.gz QEWAEOHICJUCIQ-CUWPLCDZSA-N 0 0 489.661 4.643 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001360642124 1065715746 /nfs/dbraw/zinc/71/57/46/1065715746.db2.gz QNFLVKUZODSXNR-CRAIPNDOSA-N 0 0 494.562 4.747 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001438356459 1065715976 /nfs/dbraw/zinc/71/59/76/1065715976.db2.gz CIMCUKQTOLNRLC-IIHSZXCVSA-N 0 0 451.405 4.799 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360642256 1065716276 /nfs/dbraw/zinc/71/62/76/1065716276.db2.gz RTWIWVXTDGYKHI-DGUDUIIESA-N 0 0 477.694 4.547 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C)CCC2)CC1 ZINC001360642394 1065716401 /nfs/dbraw/zinc/71/64/01/1065716401.db2.gz SRVSLQDABFSWBV-QUCCMNQESA-N 0 0 461.651 4.840 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001438361481 1065716533 /nfs/dbraw/zinc/71/65/33/1065716533.db2.gz PNIPLHHHNILXJQ-NVXWUHKLSA-N 0 0 451.405 4.991 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCSC2)CC1 ZINC001360642656 1065716757 /nfs/dbraw/zinc/71/67/57/1065716757.db2.gz WGOVLQMIUNJGSN-ROUUACIJSA-N 0 0 465.708 4.749 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001360642781 1065717325 /nfs/dbraw/zinc/71/73/25/1065717325.db2.gz WOJUMCHSXGSWMM-PIIWDFAUSA-N 0 0 497.684 4.973 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360642863 1065717356 /nfs/dbraw/zinc/71/73/56/1065717356.db2.gz XDUGZVUIKVFIQF-AZUAARDMSA-N 0 0 463.667 4.594 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(OCc3ccccc3)cn2)CC1 ZINC001360643690 1065717730 /nfs/dbraw/zinc/71/77/30/1065717730.db2.gz WLDCHGZBFJOVLL-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN O=C(c1cc(-c2c(F)cccc2F)no1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001360643508 1065717867 /nfs/dbraw/zinc/71/78/67/1065717867.db2.gz NXEWIZFKHSSUMB-UHFFFAOYSA-N 0 0 450.363 4.772 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)C1CCN(C(=O)N2CCCC2)CC1 ZINC001438397223 1065718948 /nfs/dbraw/zinc/71/89/48/1065718948.db2.gz BCPHOLGMINVFLP-HZPDHXFCSA-N 0 0 458.550 4.846 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001438398657 1065719611 /nfs/dbraw/zinc/71/96/11/1065719611.db2.gz GBNYWKVQKCBDRC-VNHYZAJKSA-N 0 0 458.527 4.879 20 0 JJADRN Cc1c(C(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)nnn1Cc1ccncc1 ZINC001438398553 1065719660 /nfs/dbraw/zinc/71/96/60/1065719660.db2.gz FUSVEFVAUCZXBL-CABCVRRESA-N 0 0 450.490 4.575 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)CC2)C1 ZINC001360645111 1065719898 /nfs/dbraw/zinc/71/98/98/1065719898.db2.gz FMLRBXOUUHETHW-UAFMIMERSA-N 0 0 475.678 4.736 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(C)(C)C ZINC001438405834 1065720651 /nfs/dbraw/zinc/72/06/51/1065720651.db2.gz YPMPREILVGGTCE-QGZVFWFLSA-N 0 0 452.338 4.955 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001438406716 1065721194 /nfs/dbraw/zinc/72/11/94/1065721194.db2.gz SINBLZOKYQJWLJ-WTIAFYNJSA-N 0 0 463.578 4.621 20 0 JJADRN O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001438407465 1065721395 /nfs/dbraw/zinc/72/13/95/1065721395.db2.gz YEMVFZYBUZANIN-OCCSQVGLSA-N 0 0 453.486 4.881 20 0 JJADRN CS(=O)(=O)CCc1ccc(NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)cc1 ZINC001545915685 1065721700 /nfs/dbraw/zinc/72/17/00/1065721700.db2.gz CQADJEGCLDDRPT-UHFFFAOYSA-N 0 0 455.388 4.956 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001438407590 1065721725 /nfs/dbraw/zinc/72/17/25/1065721725.db2.gz ZBFFBZRYBXUNIW-WDEREUQCSA-N 0 0 453.408 4.798 20 0 JJADRN O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001438407467 1065721789 /nfs/dbraw/zinc/72/17/89/1065721789.db2.gz YEMVFZYBUZANIN-TZMCWYRMSA-N 0 0 453.486 4.881 20 0 JJADRN CSCC[C@H](C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001438408802 1065721907 /nfs/dbraw/zinc/72/19/07/1065721907.db2.gz KIFKXQSJZOZAQF-XWSHUIEDSA-N 0 0 456.652 4.535 20 0 JJADRN CSCC[C@H](C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001438408799 1065721971 /nfs/dbraw/zinc/72/19/71/1065721971.db2.gz KIFKXQSJZOZAQF-FCIYXJNOSA-N 0 0 456.652 4.535 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(C)CCC2)C1 ZINC001360646448 1065722121 /nfs/dbraw/zinc/72/21/21/1065722121.db2.gz PZFITCBRKHUBJD-IFMALSPDSA-N 0 0 467.658 4.993 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC2(C)C)C1 ZINC001360646424 1065722129 /nfs/dbraw/zinc/72/21/29/1065722129.db2.gz PTQQYZSOUOCMFC-IPMKNSEASA-N 0 0 487.620 4.782 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001438460602 1065722319 /nfs/dbraw/zinc/72/23/19/1065722319.db2.gz RFDFMQRXJYKEKB-MJGOQNOKSA-N 0 0 453.823 4.944 20 0 JJADRN CN(C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc2cc(Br)ccc2o1 ZINC001438456990 1065722448 /nfs/dbraw/zinc/72/24/48/1065722448.db2.gz MEOLDTWIYAMEOB-UHFFFAOYSA-N 0 0 452.308 4.770 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Br)cnc1OCC1CC1 ZINC001438460539 1065722509 /nfs/dbraw/zinc/72/25/09/1065722509.db2.gz MWJXZEZTPLQKCS-MSOLQXFVSA-N 0 0 451.748 4.546 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001360646869 1065722547 /nfs/dbraw/zinc/72/25/47/1065722547.db2.gz SWUWBBQTGFVPSM-WPYKKVEZSA-N 0 0 489.705 4.692 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C)CC2)CC1 ZINC001360646752 1065722572 /nfs/dbraw/zinc/72/25/72/1065722572.db2.gz SFKLUFRIVKAQJU-GOSISDBHSA-N 0 0 487.620 4.926 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001438463167 1065722895 /nfs/dbraw/zinc/72/28/95/1065722895.db2.gz DEYYPSGOMXOUAG-IPVFLDMMSA-N 0 0 456.652 4.740 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCCCCC2)C1 ZINC001360647369 1065723209 /nfs/dbraw/zinc/72/32/09/1065723209.db2.gz XRCKHZROHKOCGD-UNMCSNQZSA-N 0 0 489.705 4.836 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)c(SC)cc1OC ZINC001360647900 1065723696 /nfs/dbraw/zinc/72/36/96/1065723696.db2.gz DIYBGRSRQZOSCX-FOIQADDNSA-N 0 0 454.633 4.570 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cc1)OCC(F)(F)F ZINC001438478158 1065724017 /nfs/dbraw/zinc/72/40/17/1065724017.db2.gz GCQJCKSEQBTRHY-GVDBMIGSSA-N 0 0 469.257 4.628 20 0 JJADRN O=C(Nc1nc(C2CCOCC2)ns1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001438479153 1065724058 /nfs/dbraw/zinc/72/40/58/1065724058.db2.gz NOFMLWCOYKESJC-UHFFFAOYSA-N 0 0 452.323 4.574 20 0 JJADRN COc1cc(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O ZINC001360648741 1065724027 /nfs/dbraw/zinc/72/40/27/1065724027.db2.gz WNUICTXNPMWSMO-QGZVFWFLSA-N 0 0 453.366 4.773 20 0 JJADRN COc1cc(CN(C)C(=O)Cc2csc(COc3ccccc3)n2)c(SC)cc1OC ZINC001360648546 1065724330 /nfs/dbraw/zinc/72/43/30/1065724330.db2.gz SCHHSQHTXSYWKD-UHFFFAOYSA-N 0 0 458.605 4.662 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001438485329 1065724534 /nfs/dbraw/zinc/72/45/34/1065724534.db2.gz MWJJGPJBBAQCKS-RPWUZVMVSA-N 0 0 451.542 4.761 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001438482489 1065724576 /nfs/dbraw/zinc/72/45/76/1065724576.db2.gz PYWQYQHDQRAGIB-POZUXBRTSA-N 0 0 453.149 4.738 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1 ZINC001438482430 1065724588 /nfs/dbraw/zinc/72/45/88/1065724588.db2.gz PGSFGLMWCUFJOB-CQSZACIVSA-N 0 0 459.333 4.548 20 0 JJADRN CCn1c(SCC(=O)N2CCOC[C@@H]2CC(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001360649482 1065724805 /nfs/dbraw/zinc/72/48/05/1065724805.db2.gz JNGSXASKOLNNBQ-HNNXBMFYSA-N 0 0 457.427 4.637 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1-n1cccc1 ZINC001360650210 1065725164 /nfs/dbraw/zinc/72/51/64/1065725164.db2.gz ZYTFJBZOYAEVKY-HSZRJFAPSA-N 0 0 457.496 4.608 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)NCc3cc(F)c(Br)cc3F)CCCC2)c1 ZINC001438485526 1065725328 /nfs/dbraw/zinc/72/53/28/1065725328.db2.gz GLDNVZYKIOAUGF-UHFFFAOYSA-N 0 0 454.311 4.873 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1 ZINC001360652158 1065725299 /nfs/dbraw/zinc/72/52/99/1065725299.db2.gz BODAPKFIOSMEPR-SFHVURJKSA-N 0 0 458.396 4.928 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001360653016 1065725894 /nfs/dbraw/zinc/72/58/94/1065725894.db2.gz SFJJLDYWSPGCSP-UHFFFAOYSA-N 0 0 450.398 4.992 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(C(=O)OC(C)(C)C)cn3)s2)cc1 ZINC001360654545 1065726374 /nfs/dbraw/zinc/72/63/74/1065726374.db2.gz QIFNFNUIMXGHGZ-CQSZACIVSA-N 0 0 453.564 4.968 20 0 JJADRN CCOC(=O)c1csc(NC(=O)c2ccc(Oc3ccc(C)cc3)cn2)c1C(=O)OCC ZINC001438502362 1065726846 /nfs/dbraw/zinc/72/68/46/1065726846.db2.gz XPSPWCKJVZMZJS-UHFFFAOYSA-N 0 0 454.504 4.850 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(Cl)ccc1OC(F)F ZINC001360655612 1065726953 /nfs/dbraw/zinc/72/69/53/1065726953.db2.gz OPUVGUMMPQVZKU-LIRRHRJNSA-N 0 0 451.897 4.984 20 0 JJADRN O=C(OCc1ccc(Br)c(F)c1F)c1ccc(I)cc1 ZINC001438519370 1065728087 /nfs/dbraw/zinc/72/80/87/1065728087.db2.gz PDZNOLGAWYRMJR-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)c1ccn(-c2cccc(Br)c2)n1 ZINC001360659718 1065728395 /nfs/dbraw/zinc/72/83/95/1065728395.db2.gz MJJDUQLIRARHQL-UHFFFAOYSA-N 0 0 454.093 4.893 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC001438529324 1065728994 /nfs/dbraw/zinc/72/89/94/1065728994.db2.gz OWROEFZUBRCKTC-UHFFFAOYSA-N 0 0 454.548 4.998 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(COc2ccc(F)cc2)o1 ZINC001360663075 1065729054 /nfs/dbraw/zinc/72/90/54/1065729054.db2.gz DTZKAEGYIOGZBV-MRXNPFEDSA-N 0 0 459.315 4.769 20 0 JJADRN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2F)cc1S(=O)(=O)N1CCCCC1 ZINC001438535894 1065729016 /nfs/dbraw/zinc/72/90/16/1065729016.db2.gz GMLUIWLYNJQMIT-UHFFFAOYSA-N 0 0 459.370 4.546 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)C(C)C ZINC001360664378 1065729543 /nfs/dbraw/zinc/72/95/43/1065729543.db2.gz ZORTUSVXZHXIEX-QFIPXVFZSA-N 0 0 458.591 4.638 20 0 JJADRN COc1cc(Br)c(C(=O)NCc2c(Cl)cccc2OC(F)F)cc1OC ZINC001438541572 1065729871 /nfs/dbraw/zinc/72/98/71/1065729871.db2.gz WJMNPVUXBMZOMR-UHFFFAOYSA-N 0 0 450.663 4.651 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)nc1 ZINC001360664861 1065730036 /nfs/dbraw/zinc/73/00/36/1065730036.db2.gz OTKXABUSJZFHIZ-RUZDIDTESA-N 0 0 457.571 4.942 20 0 JJADRN CCCN(C(=O)[C@@H]1COc2cc(OC)ccc2C1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360664956 1065730072 /nfs/dbraw/zinc/73/00/72/1065730072.db2.gz ROKGRRBRFZSEOJ-UQBPGWFLSA-N 0 0 452.501 4.948 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@H](c4ccc(C(F)(F)F)cc4)C3(C)C)ccc2c1=O ZINC001438540595 1065730104 /nfs/dbraw/zinc/73/01/04/1065730104.db2.gz MQPCMVMBZWCXFR-GOSISDBHSA-N 0 0 459.468 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1CC1=CCCCC1 ZINC001545916677 1065730424 /nfs/dbraw/zinc/73/04/24/1065730424.db2.gz LMJVPQDTEXVJBP-NRFANRHFSA-N 0 0 494.684 4.589 20 0 JJADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2cccs2)Cc2cccs2)n1CC1(C)CCCC1 ZINC001360665580 1065730473 /nfs/dbraw/zinc/73/04/73/1065730473.db2.gz IIXMYHOBMJHREN-QGZVFWFLSA-N 0 0 493.724 4.798 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc(C(C)(C)C)o2)c1 ZINC001438545036 1065730655 /nfs/dbraw/zinc/73/06/55/1065730655.db2.gz YXXFMCUIVASHQC-QGZVFWFLSA-N 0 0 452.576 4.647 20 0 JJADRN O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC001438556274 1065731019 /nfs/dbraw/zinc/73/10/19/1065731019.db2.gz WRIAFAOZSLTSRH-GOSISDBHSA-N 0 0 452.498 4.913 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)[C@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)c2)o1 ZINC001360673260 1065731497 /nfs/dbraw/zinc/73/14/97/1065731497.db2.gz HJJPCZBCMJRLIK-LBPRGKRZSA-N 0 0 455.565 4.633 20 0 JJADRN Cc1ccc([C@@H](NC(=O)C[C@]2(C)CC2(Cl)Cl)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360673233 1065731525 /nfs/dbraw/zinc/73/15/25/1065731525.db2.gz GUOYMSHOJRAHNN-LEWJYISDSA-N 0 0 454.419 4.887 20 0 JJADRN Cc1ccc([C@H](NC(=O)CC2CC(OC(C)(C)C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360673388 1065732009 /nfs/dbraw/zinc/73/20/09/1065732009.db2.gz JPNJJEGYPXEWRF-BPOAOHNVSA-N 0 0 457.636 4.896 20 0 JJADRN O=C(NC[C@H]1CCC12CCOCC2)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001438566659 1065732167 /nfs/dbraw/zinc/73/21/67/1065732167.db2.gz ATKHLUWFZWWCGU-CYBMUJFWSA-N 0 0 455.395 4.505 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2nccc3ccsc32)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360674312 1065732462 /nfs/dbraw/zinc/73/24/62/1065732462.db2.gz 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ZINC001438985717 1065774459 /nfs/dbraw/zinc/77/44/59/1065774459.db2.gz HGGSWELVQJJUBC-UHFFFAOYSA-N 0 0 459.727 4.870 20 0 JJADRN CCn1c(C(=O)N(C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)cc2ccccc21 ZINC001438991283 1065774773 /nfs/dbraw/zinc/77/47/73/1065774773.db2.gz AUWGBNBUGSZBAJ-INIZCTEOSA-N 0 0 455.580 4.696 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C(=O)c1ccc(OC)c(C2CC2)c1)C(C)C ZINC001438992810 1065774886 /nfs/dbraw/zinc/77/48/86/1065774886.db2.gz GOLVNJXGKVCHLK-HNNXBMFYSA-N 0 0 458.580 4.607 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[C@@H]1C ZINC001545919617 1065775426 /nfs/dbraw/zinc/77/54/26/1065775426.db2.gz CFYNEOZWHKAIBX-RBUKOAKNSA-N 0 0 473.065 4.613 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1nccs1 ZINC001360741891 1065776210 /nfs/dbraw/zinc/77/62/10/1065776210.db2.gz SIXQUHIGGOZUDE-CYBMUJFWSA-N 0 0 455.481 4.841 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001439002167 1065776477 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WIVFUTQIQJBQDC-LJQANCHMSA-N 0 0 457.452 4.936 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccncc1Cl ZINC001360742227 1065777904 /nfs/dbraw/zinc/77/79/04/1065777904.db2.gz WGDREKITGCYWTJ-MRXNPFEDSA-N 0 0 461.969 4.905 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)c2ccc3c(c2)OCO3)c2ccccc21 ZINC001439022180 1065777930 /nfs/dbraw/zinc/77/79/30/1065777930.db2.gz XZLNWTOICWSSPD-KRWDZBQOSA-N 0 0 452.551 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1CC1(CC)CCCC1 ZINC001545919742 1065778076 /nfs/dbraw/zinc/77/80/76/1065778076.db2.gz GRHQOTWPSMHUCH-UHFFFAOYSA-N 0 0 458.676 4.555 20 0 JJADRN CN(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001439019605 1065778104 /nfs/dbraw/zinc/77/81/04/1065778104.db2.gz UXRILHMNNWBDQM-AVRDEDQJSA-N 0 0 458.002 4.988 20 0 JJADRN CCc1c(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1ccccc1Cl ZINC001360742699 1065778404 /nfs/dbraw/zinc/77/84/04/1065778404.db2.gz CCTUKJXSVSHOPS-UHFFFAOYSA-N 0 0 459.937 4.665 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c2ccccc2)cc1 ZINC001360742517 1065778471 /nfs/dbraw/zinc/77/84/71/1065778471.db2.gz YESLTMGLGQTMTK-HFZDXXHNSA-N 0 0 457.574 4.720 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc(-n3cccc3)ccc2Cl)c2ccccc2O1 ZINC001360743077 1065778865 /nfs/dbraw/zinc/77/88/65/1065778865.db2.gz OKAZYGVIVBNOGH-HSZRJFAPSA-N 0 0 451.954 4.843 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 ZINC001360743592 1065779284 /nfs/dbraw/zinc/77/92/84/1065779284.db2.gz GPLXDXICXUAFBL-ABSDTBQOSA-N 0 0 452.521 4.854 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001439045703 1065780496 /nfs/dbraw/zinc/78/04/96/1065780496.db2.gz NGQRUDKCDPORSO-HXUWFJFHSA-N 0 0 456.420 4.602 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NCc2cccc(OC(C)(C)C)c2)[C@H]1c1ccc(OC)cc1 ZINC001439052562 1065780888 /nfs/dbraw/zinc/78/08/88/1065780888.db2.gz GCRJOZKXFJYSTN-UKILVPOCSA-N 0 0 452.595 4.879 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC001439047558 1065780948 /nfs/dbraw/zinc/78/09/48/1065780948.db2.gz VEQIPQCUPBFFGQ-YVEFUNNKSA-N 0 0 458.274 4.677 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001360744015 1065781109 /nfs/dbraw/zinc/78/11/09/1065781109.db2.gz MZFASFVZPMNWJE-GOSISDBHSA-N 0 0 499.635 4.736 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC001439047557 1065781029 /nfs/dbraw/zinc/78/10/29/1065781029.db2.gz VEQIPQCUPBFFGQ-SJKOYZFVSA-N 0 0 458.274 4.677 20 0 JJADRN COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001439053736 1065781649 /nfs/dbraw/zinc/78/16/49/1065781649.db2.gz IDJVEBXKEMPYKC-DQMGDWRASA-N 0 0 453.391 4.549 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC3(C2)CCCCC3)n1CCNC(=O)C(C)(C)C ZINC001360744438 1065781664 /nfs/dbraw/zinc/78/16/64/1065781664.db2.gz VBYOILQUMKYTKG-LJQANCHMSA-N 0 0 471.621 4.880 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1CCCNc1ccccn1 ZINC001360744431 1065781909 /nfs/dbraw/zinc/78/19/09/1065781909.db2.gz UXSSISBSQFWQAT-KRWDZBQOSA-N 0 0 460.504 4.690 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001439065522 1065782193 /nfs/dbraw/zinc/78/21/93/1065782193.db2.gz MASZCWWVZOLXOK-UHFFFAOYSA-N 0 0 456.802 4.636 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360744571 1065782130 /nfs/dbraw/zinc/78/21/30/1065782130.db2.gz WTAAFYFQANNHDA-MOPGFXCFSA-N 0 0 492.661 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001360744660 1065782222 /nfs/dbraw/zinc/78/22/22/1065782222.db2.gz YUIVJMVIKMEMKQ-GKVSMKOHSA-N 0 0 460.594 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001360744518 1065782378 /nfs/dbraw/zinc/78/23/78/1065782378.db2.gz WDXVBWYUFITKSM-XHSDSOJGSA-N 0 0 458.607 4.989 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cnc4ccccc4c3Br)CCC2=O)cc1C ZINC001439072489 1065782588 /nfs/dbraw/zinc/78/25/88/1065782588.db2.gz GYGNEPQFWRSTCO-MRXNPFEDSA-N 0 0 452.352 4.996 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Nc3cnc4ccccc4c3Br)CC2=O)cc1 ZINC001439074317 1065782658 /nfs/dbraw/zinc/78/26/58/1065782658.db2.gz NGAFWXPSLHYFDW-CYBMUJFWSA-N 0 0 456.365 4.711 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCCN1CCCCCC1=O ZINC001360744663 1065782835 /nfs/dbraw/zinc/78/28/35/1065782835.db2.gz YVRBFPCZQGFLKR-ACRUOGEOSA-N 0 0 471.621 4.832 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001439085251 1065782984 /nfs/dbraw/zinc/78/29/84/1065782984.db2.gz XDZXWDJGJFPWND-ZDUSSCGKSA-N 0 0 457.456 4.603 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)c1cccc(OC(F)(F)F)c1 ZINC001439085279 1065783253 /nfs/dbraw/zinc/78/32/53/1065783253.db2.gz XEPBUJULSWLUQV-ZFWWWQNUSA-N 0 0 450.486 4.684 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001439085497 1065783532 /nfs/dbraw/zinc/78/35/32/1065783532.db2.gz ZRWUTFASSRZFIG-ACJLOTCBSA-N 0 0 454.445 4.890 20 0 JJADRN COCCOc1cc(C(=O)N2CCCSC[C@@H]2c2ccccc2OC)nc2ccccc21 ZINC001439092055 1065783755 /nfs/dbraw/zinc/78/37/55/1065783755.db2.gz CTUOWBUZRQRDRV-JOCHJYFZSA-N 0 0 452.576 4.589 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001360744954 1065783710 /nfs/dbraw/zinc/78/37/10/1065783710.db2.gz DNWKXSNCCXTMAI-RTBURBONSA-N 0 0 459.610 4.592 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1 ZINC001439096968 1065784686 /nfs/dbraw/zinc/78/46/86/1065784686.db2.gz HBZXQUAVVIIMHP-UHFFFAOYSA-N 0 0 458.967 4.840 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC001439096587 1065784703 /nfs/dbraw/zinc/78/47/03/1065784703.db2.gz FIGREFIYUCYUEM-SFHVURJKSA-N 0 0 450.560 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360745526 1065784658 /nfs/dbraw/zinc/78/46/58/1065784658.db2.gz MDAZOCODHZJHNY-MHYXUVESSA-N 0 0 491.583 4.923 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCOC(C)(C)C ZINC001360745485 1065784687 /nfs/dbraw/zinc/78/46/87/1065784687.db2.gz LODWOFMPFAKIFD-AVRDEDQJSA-N 0 0 460.594 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NCc1nc(-c2ccncc2)cs1 ZINC001439098378 1065785288 /nfs/dbraw/zinc/78/52/88/1065785288.db2.gz PXKYSSXLVYNITJ-HXUWFJFHSA-N 0 0 450.564 4.703 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)[C@H](OC)c1ccc(Br)s1 ZINC001439097729 1065785394 /nfs/dbraw/zinc/78/53/94/1065785394.db2.gz YWZBZQWIOZKWJV-RDTXWAMCSA-N 0 0 456.427 4.914 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)c2)cn1 ZINC001439102038 1065786452 /nfs/dbraw/zinc/78/64/52/1065786452.db2.gz WCGIPQZMTCRRDY-BKMJKUGQSA-N 0 0 451.567 4.631 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CCn1cc(Cl)cn1 ZINC001360745758 1065786613 /nfs/dbraw/zinc/78/66/13/1065786613.db2.gz PCCDHVNAYWYZQH-AWEZNQCLSA-N 0 0 495.784 4.596 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001439105043 1065786896 /nfs/dbraw/zinc/78/68/96/1065786896.db2.gz PFTSLYMMMYSLQF-QFIPXVFZSA-N 0 0 458.599 4.926 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCCC1(C)C ZINC001360745960 1065787116 /nfs/dbraw/zinc/78/71/16/1065787116.db2.gz QXCSNQZIXMYRAY-IPJJNNNSSA-N 0 0 492.661 4.787 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360745912 1065787121 /nfs/dbraw/zinc/78/71/21/1065787121.db2.gz QGNLAUHIGZOGEJ-LJQANCHMSA-N 0 0 478.634 4.685 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCN1CCCCC1=O ZINC001360746076 1065787415 /nfs/dbraw/zinc/78/74/15/1065787415.db2.gz SLCKQPDZXIXBJZ-QZTJIDSGSA-N 0 0 497.537 4.739 20 0 JJADRN CCc1c(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)nnn1-c1cccc(Cl)c1 ZINC001439107700 1065787566 /nfs/dbraw/zinc/78/75/66/1065787566.db2.gz YGTBZIIISQHUEC-UHFFFAOYSA-N 0 0 453.955 4.791 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCc1ccncc1 ZINC001360746213 1065788077 /nfs/dbraw/zinc/78/80/77/1065788077.db2.gz VHKKWHBYCLQOTG-DYESRHJHSA-N 0 0 493.505 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)C1CCCC1 ZINC001439111779 1065788589 /nfs/dbraw/zinc/78/85/89/1065788589.db2.gz LPNXTCNXDCGCAB-NQIIRXRSSA-N 0 0 458.599 4.784 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)c1cccnc1OCc1ccccc1F ZINC001439112201 1065789133 /nfs/dbraw/zinc/78/91/33/1065789133.db2.gz WECWYCBVTNPJPU-UHFFFAOYSA-N 0 0 456.521 4.631 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N(c2ccc(C)c(Cl)c2)[C@H]2CCO[C@H]2C)c1=O ZINC001439115238 1065789155 /nfs/dbraw/zinc/78/91/55/1065789155.db2.gz DVGMJCBMQYQWOT-RXVVDRJESA-N 0 0 455.986 4.776 20 0 JJADRN Cc1ccc(N(C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439118356 1065789463 /nfs/dbraw/zinc/78/94/63/1065789463.db2.gz SXAKHHXXGHZCIU-NEOGFGCTSA-N 0 0 451.991 4.686 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(C)CC1 ZINC001360748545 1065789475 /nfs/dbraw/zinc/78/94/75/1065789475.db2.gz BGEGVHUDYFLSGF-MSOLQXFVSA-N 0 0 473.593 4.803 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)NCC1(c2ccc(Br)cc2)CC1 ZINC001439118442 1065789581 /nfs/dbraw/zinc/78/95/81/1065789581.db2.gz QNLDOIBSEPTOOM-UHFFFAOYSA-N 0 0 459.128 4.880 20 0 JJADRN Cc1ccc(N(C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439118345 1065789616 /nfs/dbraw/zinc/78/96/16/1065789616.db2.gz SXAKHHXXGHZCIU-DIJFTKHXSA-N 0 0 451.991 4.686 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(C)CC1 ZINC001360748547 1065789798 /nfs/dbraw/zinc/78/97/98/1065789798.db2.gz BGEGVHUDYFLSGF-ROUUACIJSA-N 0 0 473.593 4.803 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439126808 1065790414 /nfs/dbraw/zinc/79/04/14/1065790414.db2.gz COOVBABIWCQRSH-XWOARTFESA-N 0 0 464.915 4.942 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001439128306 1065790602 /nfs/dbraw/zinc/79/06/02/1065790602.db2.gz LPZBOKPAYOYHDT-NIYFSFCBSA-N 0 0 454.567 4.582 20 0 JJADRN CC[C@H](C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C(F)(F)F)c1 ZINC001439131843 1065791165 /nfs/dbraw/zinc/79/11/65/1065791165.db2.gz DZRJXMCXZZXROQ-SYTLLRCSSA-N 0 0 455.517 4.985 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439130977 1065791183 /nfs/dbraw/zinc/79/11/83/1065791183.db2.gz DIJNUEKRMLOFBF-OHEJZUQFSA-N 0 0 450.579 4.854 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360749039 1065791469 /nfs/dbraw/zinc/79/14/69/1065791469.db2.gz KOVVGYQRLMEVNR-GIYDNNGJSA-N 0 0 469.527 4.847 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439134034 1065791433 /nfs/dbraw/zinc/79/14/33/1065791433.db2.gz IQSVBUHWECUUIX-XWJIAHPJSA-N 0 0 454.567 4.864 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@]1(C(F)(F)F)CCC[C@H](C(C)(C)C)CC1)C2=O ZINC001439133673 1065791475 /nfs/dbraw/zinc/79/14/75/1065791475.db2.gz VGPKLMSGZCLZFV-ZXJYCPGTSA-N 0 0 459.553 4.531 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439133830 1065791608 /nfs/dbraw/zinc/79/16/08/1065791608.db2.gz KXCKRRLZZUVNFV-FAFRJYIDSA-N 0 0 456.608 4.826 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439134121 1065791672 /nfs/dbraw/zinc/79/16/72/1065791672.db2.gz NHZVYNRGOSVCEN-ZJBSYMHJSA-N 0 0 458.382 4.546 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCOC1CCCCCC1 ZINC001360749295 1065792140 /nfs/dbraw/zinc/79/21/40/1065792140.db2.gz CIGXPCJPHJIYKH-ZCNNSNEGSA-N 0 0 460.594 4.910 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCOC(C)(C)C ZINC001360749460 1065792151 /nfs/dbraw/zinc/79/21/51/1065792151.db2.gz OBGAFZUQVWCNGY-OAHLLOKOSA-N 0 0 496.509 4.608 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)O2 ZINC001439137582 1065792403 /nfs/dbraw/zinc/79/24/03/1065792403.db2.gz WHOVYWCNOFSLJL-YZOUICBYSA-N 0 0 455.517 4.814 20 0 JJADRN CCSc1ccccc1CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001439144342 1065792570 /nfs/dbraw/zinc/79/25/70/1065792570.db2.gz JNSZVEXNMOFFQF-KKSFZXQISA-N 0 0 451.419 4.984 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 ZINC001360749695 1065792696 /nfs/dbraw/zinc/79/26/96/1065792696.db2.gz HFXMLWUPDFSCPV-IEBWSBKVSA-N 0 0 473.593 4.851 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360749651 1065792761 /nfs/dbraw/zinc/79/27/61/1065792761.db2.gz PBSSZTFJGVILCN-GIYDNNGJSA-N 0 0 469.527 4.847 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC[C@@H]2C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360749493 1065792799 /nfs/dbraw/zinc/79/27/99/1065792799.db2.gz DZCKHFBCULUTQV-KHKYRLRFSA-N 0 0 460.594 4.766 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001439151253 1065793070 /nfs/dbraw/zinc/79/30/70/1065793070.db2.gz QMJMDHGLXAFYLA-UHFFFAOYSA-N 0 0 450.604 4.897 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2C)CCS1 ZINC001360749743 1065793088 /nfs/dbraw/zinc/79/30/88/1065793088.db2.gz IDSYPKFJILSXFN-GHDARCQNSA-N 0 0 462.635 4.808 20 0 JJADRN Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC001439152543 1065793133 /nfs/dbraw/zinc/79/31/33/1065793133.db2.gz PNEZTSMTXLXQLP-UHFFFAOYSA-N 0 0 459.859 4.875 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360749901 1065793515 /nfs/dbraw/zinc/79/35/15/1065793515.db2.gz IZAWSBYAFLHFOG-KVPLUYHFSA-N 0 0 491.583 4.799 20 0 JJADRN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001439172006 1065793862 /nfs/dbraw/zinc/79/38/62/1065793862.db2.gz CCUNFGGXPJCTKG-BBRMVZONSA-N 0 0 459.262 4.866 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)co2)cc1 ZINC001439172642 1065794398 /nfs/dbraw/zinc/79/43/98/1065794398.db2.gz VGQNJKVLPDOURF-HXUWFJFHSA-N 0 0 458.345 4.878 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCCc1cccc(Br)c1C)O[C@@H](C)C2 ZINC001439176262 1065794427 /nfs/dbraw/zinc/79/44/27/1065794427.db2.gz MKWANGSQTCOORX-ADLFWFRXSA-N 0 0 458.396 4.942 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001439174280 1065794595 /nfs/dbraw/zinc/79/45/95/1065794595.db2.gz DQUGMABTXFGUSW-RBUKOAKNSA-N 0 0 455.860 4.566 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001439174270 1065794638 /nfs/dbraw/zinc/79/46/38/1065794638.db2.gz DQUGMABTXFGUSW-MOPGFXCFSA-N 0 0 455.860 4.566 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCCc1cccc(Br)c1C)O[C@H](C)C2 ZINC001439177067 1065794661 /nfs/dbraw/zinc/79/46/61/1065794661.db2.gz MKWANGSQTCOORX-HEFCMCLBSA-N 0 0 458.396 4.942 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCOCC1 ZINC001360750338 1065794794 /nfs/dbraw/zinc/79/47/94/1065794794.db2.gz LXNMVXXALPBDJL-SJORKVTESA-N 0 0 477.030 4.872 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC(F)(F)F ZINC001360750749 1065795796 /nfs/dbraw/zinc/79/57/96/1065795796.db2.gz ZXCCWUAVGOQFOD-KRWDZBQOSA-N 0 0 497.537 4.739 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCc1ccc(Cl)s1 ZINC001360750656 1065795835 /nfs/dbraw/zinc/79/58/35/1065795835.db2.gz OYMSSBHCPUZZCL-VCBZYWHSSA-N 0 0 464.994 4.722 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@]1(C)CCCS1 ZINC001360750758 1065795846 /nfs/dbraw/zinc/79/58/46/1065795846.db2.gz ZZLYIZJKFUGVGB-KKSFZXQISA-N 0 0 487.567 4.527 20 0 JJADRN COc1ccc(CCC(=O)Nc2nc3c(cccc3Br)[nH]2)cc1Br ZINC001439188549 1065796070 /nfs/dbraw/zinc/79/60/70/1065796070.db2.gz DPVBGJXIFPRWDS-UHFFFAOYSA-N 0 0 453.134 4.668 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)c2)cn1 ZINC001439184502 1065796088 /nfs/dbraw/zinc/79/60/88/1065796088.db2.gz LLSUWAMFDVKWHW-OAQYLSRUSA-N 0 0 453.336 4.985 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2cnn(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360750830 1065796234 /nfs/dbraw/zinc/79/62/34/1065796234.db2.gz QJRZAFLQCDQLPY-MRXNPFEDSA-N 0 0 465.533 4.655 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CCCOC(F)(F)F ZINC001360750967 1065796676 /nfs/dbraw/zinc/79/66/76/1065796676.db2.gz SLGTZKJNLXPSPE-AWEZNQCLSA-N 0 0 462.513 4.816 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001360750941 1065796797 /nfs/dbraw/zinc/79/67/97/1065796797.db2.gz SDVSQPIXKZPFEK-CVEARBPZSA-N 0 0 488.633 4.758 20 0 JJADRN Cc1oc(C(=O)NCCc2ccc(Cl)c(Cl)c2)cc1CN1C(=O)c2ccccc2C1=O ZINC001439197538 1065796908 /nfs/dbraw/zinc/79/69/08/1065796908.db2.gz HHQLNNKWCHSZTR-UHFFFAOYSA-N 0 0 457.313 4.664 20 0 JJADRN O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001439198817 1065797425 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/nfs/dbraw/zinc/79/87/33/1065798733.db2.gz AKZWJLIOAZJZIG-MRXNPFEDSA-N 0 0 476.021 4.785 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](C)c2cccc(Br)c2)c(Cl)cc1NC(C)=O ZINC001439211076 1065798827 /nfs/dbraw/zinc/79/88/27/1065798827.db2.gz XQIACSMZUBCQMF-SNVBAGLBSA-N 0 0 453.720 4.590 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(CCCOCc3ccccc3)CC2)c(Cl)cc1NC(C)=O ZINC001439211198 1065798854 /nfs/dbraw/zinc/79/88/54/1065798854.db2.gz ZAZJNKMPBCNQBC-UHFFFAOYSA-N 0 0 458.942 4.801 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl ZINC001439210379 1065798995 /nfs/dbraw/zinc/79/89/95/1065798995.db2.gz JNBPEGHWOGBNBR-UHFFFAOYSA-N 0 0 455.898 4.674 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2ccc(OC(F)F)c(Br)c2)cc1 ZINC001439212911 1065799055 /nfs/dbraw/zinc/79/90/55/1065799055.db2.gz BROGQQHTLLABPA-UHFFFAOYSA-N 0 0 450.283 4.939 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC001439207289 1065799069 /nfs/dbraw/zinc/79/90/69/1065799069.db2.gz ZTHWKIOYYLFJOW-MRXNPFEDSA-N 0 0 450.716 4.671 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NCc1cc(C(F)(F)F)ccc1Br)C2 ZINC001439214288 1065799379 /nfs/dbraw/zinc/79/93/79/1065799379.db2.gz JADITWWDQJOLKZ-LJQANCHMSA-N 0 0 456.258 4.564 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001439215472 1065799548 /nfs/dbraw/zinc/79/95/48/1065799548.db2.gz ACJZUVSTVPEEMZ-WIYYLYMNSA-N 0 0 451.567 4.562 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)cc1 ZINC001439219187 1065799927 /nfs/dbraw/zinc/79/99/27/1065799927.db2.gz IBVNCVYTGLQQAW-UHFFFAOYSA-N 0 0 454.592 4.617 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001439215685 1065799957 /nfs/dbraw/zinc/79/99/57/1065799957.db2.gz BYLPZAVDMRSGBT-GZYYTPEQSA-N 0 0 465.432 4.736 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)OCc2cc(Br)ccc2Cl)C1 ZINC001439221893 1065800619 /nfs/dbraw/zinc/80/06/19/1065800619.db2.gz FHMYOXZXZQVULQ-ABAIWWIYSA-N 0 0 450.732 4.741 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)OCc1cc(Br)ccc1Cl ZINC001439221453 1065800782 /nfs/dbraw/zinc/80/07/82/1065800782.db2.gz BXBVWBHOYVLWPP-UHFFFAOYSA-N 0 0 450.638 4.889 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)C2)n1CCNC(=O)c1cccs1 ZINC001360753974 1065802000 /nfs/dbraw/zinc/80/20/00/1065802000.db2.gz MCEVIWJTZRZOJY-KLHKWILBSA-N 0 0 492.020 4.747 20 0 JJADRN CN(C(=O)c1cnc(Cc2ccccc2F)s1)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001439229766 1065802493 /nfs/dbraw/zinc/80/24/93/1065802493.db2.gz UXZKKPXWAKOAAC-UHFFFAOYSA-N 0 0 456.543 4.569 20 0 JJADRN O=C(OCc1cc(Br)ccc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001439228926 1065802518 /nfs/dbraw/zinc/80/25/18/1065802518.db2.gz ZXQQWCCLAIEGEM-SFHVURJKSA-N 0 0 452.732 4.947 20 0 JJADRN COc1cc(COC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)ccn1 ZINC001439229081 1065802521 /nfs/dbraw/zinc/80/25/21/1065802521.db2.gz RXDHEEOPMDYBLR-UHFFFAOYSA-N 0 0 451.832 4.794 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCc2nccn2C1 ZINC001360754154 1065802874 /nfs/dbraw/zinc/80/28/74/1065802874.db2.gz OXWJCXOAPHAEPY-JKSUJKDBSA-N 0 0 464.948 4.622 20 0 JJADRN CN(C)c1ccc(-c2ccncc2NC(=O)[C@]2(C)CC2(Br)Br)cc1 ZINC001439238855 1065803051 /nfs/dbraw/zinc/80/30/51/1065803051.db2.gz MZWHQBNKSCDGKJ-KRWDZBQOSA-N 0 0 453.178 4.649 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1cc(Br)c(C)cc1Br ZINC001439233432 1065803114 /nfs/dbraw/zinc/80/31/14/1065803114.db2.gz TWGFKNDCAGHSAG-KPZWWZAWSA-N 0 0 481.184 4.901 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001439234379 1065803205 /nfs/dbraw/zinc/80/32/05/1065803205.db2.gz GPTLLVIJVHGCNG-CXAGYDPISA-N 0 0 453.358 4.765 20 0 JJADRN O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ncc(Br)cc1Br ZINC001439250463 1065804452 /nfs/dbraw/zinc/80/44/52/1065804452.db2.gz PLONTPCDVPNVNO-AWEZNQCLSA-N 0 0 452.146 4.783 20 0 JJADRN CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439249429 1065804555 /nfs/dbraw/zinc/80/45/55/1065804555.db2.gz MZQJDVPOYGFFHW-HXUWFJFHSA-N 0 0 456.587 4.651 20 0 JJADRN COc1ccc(F)cc1CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC001439254894 1065805241 /nfs/dbraw/zinc/80/52/41/1065805241.db2.gz KJVFPQWYWICVIT-UHFFFAOYSA-N 0 0 456.514 4.677 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)c1Cl ZINC001439261236 1065805345 /nfs/dbraw/zinc/80/53/45/1065805345.db2.gz DWGWXDJPKBOENT-UHFFFAOYSA-N 0 0 450.875 4.659 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(F)cn1 ZINC001360754523 1065805706 /nfs/dbraw/zinc/80/57/06/1065805706.db2.gz WFOROZBLMKGSCV-IIBYNOLFSA-N 0 0 459.953 4.659 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1Cl ZINC001439265849 1065805776 /nfs/dbraw/zinc/80/57/76/1065805776.db2.gz YDQGUHJCGSSIFZ-CQSZACIVSA-N 0 0 450.894 4.513 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1([S@@](C)=O)CCC1 ZINC001360754567 1065805831 /nfs/dbraw/zinc/80/58/31/1065805831.db2.gz XMMJMBSEKBOIRM-BBFFTDKLSA-N 0 0 487.016 4.854 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360754614 1065806624 /nfs/dbraw/zinc/80/66/24/1065806624.db2.gz YFGDXVAYKVLCLN-QGZVFWFLSA-N 0 0 460.022 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC001439266257 1065806795 /nfs/dbraw/zinc/80/67/95/1065806795.db2.gz YOIIUJNMNFKLMY-ZDUSSCGKSA-N 0 0 454.461 4.921 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001439268125 1065806988 /nfs/dbraw/zinc/80/69/88/1065806988.db2.gz AKOLLEWGFIFMOZ-DHIUTWEWSA-N 0 0 473.539 4.998 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccoc2)n1Cc1nccn1C(F)F ZINC001360754736 1065807360 /nfs/dbraw/zinc/80/73/60/1065807360.db2.gz ZTYSGGHWTJYBND-CQSZACIVSA-N 0 0 462.888 4.941 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001439271155 1065808165 /nfs/dbraw/zinc/80/81/65/1065808165.db2.gz DMCNSZJQBAEQOF-HYBUGGRVSA-N 0 0 479.621 4.548 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(N)=O)CC2)n1CC(C)(C)c1cccs1 ZINC001360755560 1065808954 /nfs/dbraw/zinc/80/89/54/1065808954.db2.gz FTVFDBLJMAZOHF-MRXNPFEDSA-N 0 0 488.057 4.813 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1=O ZINC001439275464 1065809610 /nfs/dbraw/zinc/80/96/10/1065809610.db2.gz VAWHXKUXXLTVJR-BQJUDKOJSA-N 0 0 471.642 4.562 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360755775 1065810235 /nfs/dbraw/zinc/81/02/35/1065810235.db2.gz JDHVKVYJVZFYCU-WCIYBSDLSA-N 0 0 492.039 4.979 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCO2)n1CCCc1nccs1 ZINC001360755900 1065811564 /nfs/dbraw/zinc/81/15/64/1065811564.db2.gz LBSMYXGIQRTJPM-VQIMIIECSA-N 0 0 462.019 4.776 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1cccc2ccccc21 ZINC001439285290 1065811714 /nfs/dbraw/zinc/81/17/14/1065811714.db2.gz HCOZFAKGDLVQBO-VWLOTQADSA-N 0 0 457.530 4.976 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1CCNC(=O)OC(C)(C)C ZINC001360755971 1065812298 /nfs/dbraw/zinc/81/22/98/1065812298.db2.gz MFZLOQGXMHFKHJ-KRWDZBQOSA-N 0 0 496.052 4.848 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360756159 1065813000 /nfs/dbraw/zinc/81/30/00/1065813000.db2.gz PLFFILKWWTWQFT-SCTDSRPQSA-N 0 0 458.969 4.679 20 0 JJADRN CCc1ccccc1C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001439307416 1065812952 /nfs/dbraw/zinc/81/29/52/1065812952.db2.gz PXRBZYZTNALOBR-UHFFFAOYSA-N 0 0 453.336 4.942 20 0 JJADRN Cc1c(F)cccc1C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001439306354 1065812971 /nfs/dbraw/zinc/81/29/71/1065812971.db2.gz JWBVNQWZMJYDJZ-UHFFFAOYSA-N 0 0 457.299 4.827 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccc(F)cc1F ZINC001439308024 1065813027 /nfs/dbraw/zinc/81/30/27/1065813027.db2.gz SRLKKEGRCYGMLV-QFIPXVFZSA-N 0 0 456.445 4.585 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 ZINC001439317184 1065813634 /nfs/dbraw/zinc/81/36/34/1065813634.db2.gz AMIDOIIMWHZAKY-HSZRJFAPSA-N 0 0 450.970 4.973 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C ZINC001360756210 1065813859 /nfs/dbraw/zinc/81/38/59/1065813859.db2.gz QJHBTZUWWFGBHL-UZUQRXQVSA-N 0 0 453.027 4.730 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)c1ccc(F)cc1F ZINC001439311112 1065813785 /nfs/dbraw/zinc/81/37/85/1065813785.db2.gz JXDAWISKTPCLLY-JOCHJYFZSA-N 0 0 456.445 4.585 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)OC2CCCC2)n1CCN(C)CC(F)(F)F ZINC001360756425 1065814277 /nfs/dbraw/zinc/81/42/77/1065814277.db2.gz UJBYTORUZQYGIX-HNNXBMFYSA-N 0 0 475.943 4.876 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCCc2ccccn2)n1CC1CCOCC1 ZINC001360756310 1065814403 /nfs/dbraw/zinc/81/44/03/1065814403.db2.gz RWLVBBIQGXGWOQ-LJQANCHMSA-N 0 0 470.017 4.962 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCC1(O)CCC1 ZINC001360756315 1065814465 /nfs/dbraw/zinc/81/44/65/1065814465.db2.gz RXNJZBIXAUCFKQ-KRWDZBQOSA-N 0 0 463.022 4.770 20 0 JJADRN Cc1ccc(C2(C(=O)NCc3nc(CN(C)C)cs3)CCCCC2)c(Br)c1 ZINC001439324888 1065815073 /nfs/dbraw/zinc/81/50/73/1065815073.db2.gz GBGHXYSKZVLVKD-UHFFFAOYSA-N 0 0 450.446 4.794 20 0 JJADRN CC/C(=C\C(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC001439336512 1065815663 /nfs/dbraw/zinc/81/56/63/1065815663.db2.gz AMOJMBHYUNHZRL-ZTIKBKQBSA-N 0 0 456.505 4.793 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCCOC(F)F ZINC001360756523 1065815735 /nfs/dbraw/zinc/81/57/35/1065815735.db2.gz VZIUYHMWGGRTDU-AEFFLSMTSA-N 0 0 484.975 4.954 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)OC2CCCC2)n1Cc1ncccc1N(C)C ZINC001360756520 1065815874 /nfs/dbraw/zinc/81/58/74/1065815874.db2.gz VYYXNGHJCRRJSG-QGZVFWFLSA-N 0 0 471.005 4.891 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001360756522 1065816026 /nfs/dbraw/zinc/81/60/26/1065816026.db2.gz VZFFPVGBMYDURJ-LJQANCHMSA-N 0 0 492.064 4.725 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1ccccc1C(F)(F)F ZINC001439342240 1065816619 /nfs/dbraw/zinc/81/66/19/1065816619.db2.gz BWZWWVVSXRQOCH-UHFFFAOYSA-N 0 0 456.218 4.545 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC1CCCC1 ZINC001360756637 1065816675 /nfs/dbraw/zinc/81/66/75/1065816675.db2.gz XHUUBSRZWNTBOZ-MSOLQXFVSA-N 0 0 460.022 4.709 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360756645 1065816761 /nfs/dbraw/zinc/81/67/61/1065816761.db2.gz XIVXWJZYQWZYMT-DRMAHVMPSA-N 0 0 499.965 4.752 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001360756612 1065816786 /nfs/dbraw/zinc/81/67/86/1065816786.db2.gz WZYVCNQMKOSRIK-YYULODDRSA-N 0 0 474.049 4.955 20 0 JJADRN Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c(Br)n1 ZINC001439347633 1065818197 /nfs/dbraw/zinc/81/81/97/1065818197.db2.gz MCIHTYBTZNUFLQ-UHFFFAOYSA-N 0 0 450.745 4.886 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1nn(C)c(C)c1Br ZINC001439353002 1065818599 /nfs/dbraw/zinc/81/85/99/1065818599.db2.gz IVPPFHRRWWGADT-UHFFFAOYSA-N 0 0 458.356 4.873 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1 ZINC001360757443 1065818547 /nfs/dbraw/zinc/81/85/47/1065818547.db2.gz BJGWMBKRAAMROY-UTKZUKDTSA-N 0 0 481.062 4.521 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(Br)c4ccccc4c3)C2)c1 ZINC001439354272 1065819357 /nfs/dbraw/zinc/81/93/57/1065819357.db2.gz BQMANHUJAHNRJB-OAQYLSRUSA-N 0 0 455.308 4.751 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c3ccccc3n2)cc1 ZINC001439357007 1065819469 /nfs/dbraw/zinc/81/94/69/1065819469.db2.gz RYXCYUJVVUERAL-MZNJEOGPSA-N 0 0 461.562 4.896 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001439356188 1065819523 /nfs/dbraw/zinc/81/95/23/1065819523.db2.gz UWYVDYILIWLHST-QFIXIFRTSA-N 0 0 462.949 4.971 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@]3(C)Cc3cccc(Br)c3)cn2)n1 ZINC001439357639 1065819845 /nfs/dbraw/zinc/81/98/45/1065819845.db2.gz KGFLWCLTIALHEK-HSZRJFAPSA-N 0 0 453.384 4.884 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCOC(C)(C)C ZINC001360757631 1065820296 /nfs/dbraw/zinc/82/02/96/1065820296.db2.gz FIOCPGPHTKPUER-RXVVDRJESA-N 0 0 486.016 4.939 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001439363238 1065820724 /nfs/dbraw/zinc/82/07/24/1065820724.db2.gz XDVHGZODWJOVEO-XUZZJYLKSA-N 0 0 458.396 4.783 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC2)n1Cc1cccc(Br)n1 ZINC001360757758 1065820773 /nfs/dbraw/zinc/82/07/73/1065820773.db2.gz HNKJOCJIHYEQBO-CQSZACIVSA-N 0 0 462.779 4.878 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1ccco1 ZINC001360757811 1065820895 /nfs/dbraw/zinc/82/08/95/1065820895.db2.gz IPUYZRMHIIYQRA-XLIONFOSSA-N 0 0 471.989 4.719 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001439384394 1065822099 /nfs/dbraw/zinc/82/20/99/1065822099.db2.gz DWMUOANEPLVFCD-ZILOHOTNSA-N 0 0 462.594 4.613 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1nn(C(C)C)cc1Cl ZINC001439387348 1065822216 /nfs/dbraw/zinc/82/22/16/1065822216.db2.gz ZJXJOYADPXNHHA-UHFFFAOYSA-N 0 0 450.768 4.994 20 0 JJADRN Cn1nc(C(=O)N(Cc2nc3ccccc3s2)C2CC2)c(Br)c1C(F)(F)F ZINC001439391138 1065822726 /nfs/dbraw/zinc/82/27/26/1065822726.db2.gz ZURWZSLZITXEBY-UHFFFAOYSA-N 0 0 459.291 4.616 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1 ZINC001439389512 1065822842 /nfs/dbraw/zinc/82/28/42/1065822842.db2.gz KRMCGSURINHTBD-UHFFFAOYSA-N 0 0 454.573 4.821 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCCC[C@H]3c3ncc(Br)cn3)cc2nc1CC ZINC001439388714 1065822925 /nfs/dbraw/zinc/82/29/25/1065822925.db2.gz LNRVLUVFIIRERS-FQEVSTJZSA-N 0 0 454.372 4.675 20 0 JJADRN O=C(N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cccnc1OCC(F)F ZINC001439394506 1065823390 /nfs/dbraw/zinc/82/33/90/1065823390.db2.gz ZUXNDUIYLIGFCV-OAHLLOKOSA-N 0 0 453.283 4.664 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCC=CO1 ZINC001360758210 1065823435 /nfs/dbraw/zinc/82/34/35/1065823435.db2.gz OOCJLRJOWDDVGY-GCJKJVERSA-N 0 0 461.006 4.753 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CC[S@@](=O)C(C)(C)C ZINC001360758343 1065824336 /nfs/dbraw/zinc/82/43/36/1065824336.db2.gz QVGALIWBKYPULX-OAVRRCDHSA-N 0 0 495.089 4.767 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CC[S@](=O)C(C)(C)C ZINC001360758346 1065824477 /nfs/dbraw/zinc/82/44/77/1065824477.db2.gz QVGALIWBKYPULX-WIXFIVLZSA-N 0 0 495.089 4.767 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC(F)(F)F ZINC001360758410 1065825105 /nfs/dbraw/zinc/82/51/05/1065825105.db2.gz RULYROZXSKTDOQ-HNNXBMFYSA-N 0 0 485.938 4.615 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@H]1CCOC1 ZINC001360758811 1065826516 /nfs/dbraw/zinc/82/65/16/1065826516.db2.gz VGUHEPHBQMBSOM-HUUCEWRRSA-N 0 0 467.795 4.597 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001439431443 1065826970 /nfs/dbraw/zinc/82/69/70/1065826970.db2.gz UZEMLCLCKGEJGX-MRXNPFEDSA-N 0 0 450.292 4.740 20 0 JJADRN C[S@@](=O)(=NC(=O)c1c(F)ccc(I)c1Cl)c1cccc(F)c1 ZINC001439432435 1065827057 /nfs/dbraw/zinc/82/70/57/1065827057.db2.gz BKERFPBELSCVST-QFIPXVFZSA-N 0 0 455.651 4.520 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCOC(C)(C)C ZINC001360759060 1065827161 /nfs/dbraw/zinc/82/71/61/1065827161.db2.gz XOBSZRHTKQPUJJ-MRXNPFEDSA-N 0 0 471.989 4.550 20 0 JJADRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360759002 1065827212 /nfs/dbraw/zinc/82/72/12/1065827212.db2.gz KDIZXZQMDCAZLW-INIZCTEOSA-N 0 0 450.295 4.710 20 0 JJADRN Cc1cc(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)c(I)cc1Cl ZINC001439433265 1065827654 /nfs/dbraw/zinc/82/76/54/1065827654.db2.gz DHBHHLGFQMEGNY-QFIPXVFZSA-N 0 0 451.688 4.689 20 0 JJADRN Cc1cc(Br)c(CC(=O)N=[S@](C)(=O)c2ccccc2Br)s1 ZINC001439434062 1065827672 /nfs/dbraw/zinc/82/76/72/1065827672.db2.gz HDAXRWQMIREOTM-OAQYLSRUSA-N 0 0 451.205 4.808 20 0 JJADRN C[S@@](=O)(=NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccccc1Br ZINC001439434401 1065827817 /nfs/dbraw/zinc/82/78/17/1065827817.db2.gz ILBPNGMEPIHLTN-FATZIPQQSA-N 0 0 457.187 4.925 20 0 JJADRN COc1cn(-c2ccccc2)nc1C(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360759119 1065827780 /nfs/dbraw/zinc/82/77/80/1065827780.db2.gz KYGXWCSNSREBJW-UHFFFAOYSA-N 0 0 454.246 4.853 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]2C)n1CCn1cc(Br)cn1 ZINC001360759122 1065827877 /nfs/dbraw/zinc/82/78/77/1065827877.db2.gz YBCPVHXHRUGOEB-CABCVRRESA-N 0 0 479.810 4.719 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC(C)(C)c1ccccn1 ZINC001360759191 1065828555 /nfs/dbraw/zinc/82/85/55/1065828555.db2.gz YVPLGVKJIXTBEQ-RBUKOAKNSA-N 0 0 497.043 4.536 20 0 JJADRN Cc1c(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cnn1-c1ccccc1Cl ZINC001439435704 1065828601 /nfs/dbraw/zinc/82/86/01/1065828601.db2.gz MZZLQHIVCALLAD-AREMUKBSSA-N 0 0 452.761 4.894 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)c1 ZINC001439438118 1065828918 /nfs/dbraw/zinc/82/89/18/1065828918.db2.gz CEHSECXBHXWIAV-UHFFFAOYSA-N 0 0 452.352 4.819 20 0 JJADRN Cc1c(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cnn1-c1ccc(F)cc1F ZINC001439438971 1065829049 /nfs/dbraw/zinc/82/90/49/1065829049.db2.gz SDWSEYQMHVEPSJ-HHHXNRCGSA-N 0 0 454.296 4.519 20 0 JJADRN C[S@](=O)c1cccc(NC(=O)CCc2cc(Br)c(Br)s2)c1 ZINC001360759646 1065829074 /nfs/dbraw/zinc/82/90/74/1065829074.db2.gz YOUORFYEMYJGIW-NRFANRHFSA-N 0 0 451.205 4.582 20 0 JJADRN C[C@@H](N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccoc2)CC1)C(F)(F)F ZINC001360760039 1065830696 /nfs/dbraw/zinc/83/06/96/1065830696.db2.gz GOSWZKANZAYULI-JKSUJKDBSA-N 0 0 483.922 4.786 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3cc(Br)cnc3n2)cnn1-c1cccc(F)c1 ZINC001439459329 1065831192 /nfs/dbraw/zinc/83/11/92/1065831192.db2.gz QVWFXEBOHVUOBQ-UHFFFAOYSA-N 0 0 454.303 4.922 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001439458379 1065831201 /nfs/dbraw/zinc/83/12/01/1065831201.db2.gz RZWBRKLZDINZMW-INIZCTEOSA-N 0 0 454.324 4.713 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1C ZINC001439456771 1065831267 /nfs/dbraw/zinc/83/12/67/1065831267.db2.gz XPQJAGSOKLEIPL-GOSISDBHSA-N 0 0 451.544 4.673 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001439458383 1065831300 /nfs/dbraw/zinc/83/13/00/1065831300.db2.gz RZWBRKLZDINZMW-MRXNPFEDSA-N 0 0 454.324 4.713 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001360760254 1065831390 /nfs/dbraw/zinc/83/13/90/1065831390.db2.gz JJMOQGSQZIPSSP-MSOLQXFVSA-N 0 0 494.036 4.602 20 0 JJADRN COc1ccc(CCCCC(=O)OCc2ccccc2I)cc1OC ZINC001439462594 1065831665 /nfs/dbraw/zinc/83/16/65/1065831665.db2.gz YEFJHULEEUVOCR-UHFFFAOYSA-N 0 0 454.304 4.765 20 0 JJADRN Cc1cnc(Br)c(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC001439473260 1065832392 /nfs/dbraw/zinc/83/23/92/1065832392.db2.gz NCDXQKCAKPYEKB-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCn1cccn1 ZINC001360760418 1065832440 /nfs/dbraw/zinc/83/24/40/1065832440.db2.gz LTJGRQGZGHZXEK-KBMIEXCESA-N 0 0 487.048 5.000 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)nc1C(F)(F)F ZINC001439487058 1065833109 /nfs/dbraw/zinc/83/31/09/1065833109.db2.gz NNJIFIAWVPWUEB-UHFFFAOYSA-N 0 0 456.808 4.524 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)nc1C(F)(F)F ZINC001439481245 1065833130 /nfs/dbraw/zinc/83/31/30/1065833130.db2.gz HPNQKQZZUQRVEU-UHFFFAOYSA-N 0 0 451.835 4.961 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2cc(Cl)c(Br)cc2F)nc1C(F)(F)F ZINC001439481364 1065833151 /nfs/dbraw/zinc/83/31/51/1065833151.db2.gz IYWHLGHARSTCBO-UHFFFAOYSA-N 0 0 459.577 4.677 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H]1CCSC1 ZINC001360760648 1065833389 /nfs/dbraw/zinc/83/33/89/1065833389.db2.gz QOHUTKFTSJXXMQ-ULQDDVLXSA-N 0 0 451.036 4.828 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)Cc2nsc3ccccc23)C1 ZINC001439495294 1065834020 /nfs/dbraw/zinc/83/40/20/1065834020.db2.gz BTTSQJWLHAQIML-OAHLLOKOSA-N 0 0 455.555 4.708 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)nc1C(F)(F)F ZINC001439490206 1065834133 /nfs/dbraw/zinc/83/41/33/1065834133.db2.gz XHZGGFQNMQLRSM-UHFFFAOYSA-N 0 0 456.380 4.733 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001439496523 1065834546 /nfs/dbraw/zinc/83/45/46/1065834546.db2.gz COZVBAPOKCSMAK-HXOBKFHXSA-N 0 0 454.542 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001439496526 1065834674 /nfs/dbraw/zinc/83/46/74/1065834674.db2.gz COZVBAPOKCSMAK-SBUREZEXSA-N 0 0 454.542 4.560 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCOCC1CC1 ZINC001360761070 1065836080 /nfs/dbraw/zinc/83/60/80/1065836080.db2.gz YKIMGEYKDTZSRF-ROUUACIJSA-N 0 0 463.022 4.892 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001439505007 1065836217 /nfs/dbraw/zinc/83/62/17/1065836217.db2.gz UKVHYXVPDVZSBF-BEFAXECRSA-N 0 0 458.505 4.561 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCOCC1CC1 ZINC001360761068 1065836397 /nfs/dbraw/zinc/83/63/97/1065836397.db2.gz YKIMGEYKDTZSRF-MSOLQXFVSA-N 0 0 463.022 4.892 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001360761297 1065836937 /nfs/dbraw/zinc/83/69/37/1065836937.db2.gz DDXMCZOPOJMCEL-FCHUYYIVSA-N 0 0 457.412 4.858 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001360761746 1065837110 /nfs/dbraw/zinc/83/71/10/1065837110.db2.gz PJDDRPBHCXXMRC-PKTZIBPZSA-N 0 0 453.652 4.856 20 0 JJADRN COCc1ccc([C@@H]2COCCN2C(=O)Cc2csc3ccc(Br)cc23)o1 ZINC001439517771 1065838491 /nfs/dbraw/zinc/83/84/91/1065838491.db2.gz UQORTCWKEKKXKV-KRWDZBQOSA-N 0 0 450.354 4.546 20 0 JJADRN CN(C)c1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)ccc1Cl ZINC001439520993 1065838506 /nfs/dbraw/zinc/83/85/06/1065838506.db2.gz QVJVNIPBMUZYGR-FQEVSTJZSA-N 0 0 456.974 4.962 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360762461 1065838641 /nfs/dbraw/zinc/83/86/41/1065838641.db2.gz GBXGXBUZWVVKDS-HOTGVXAUSA-N 0 0 459.591 4.585 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1(C(N)=O)CCCC1 ZINC001360762370 1065838798 /nfs/dbraw/zinc/83/87/98/1065838798.db2.gz DWOCDESOKALVLP-BBWFWOEESA-N 0 0 496.002 4.845 20 0 JJADRN CC(=O)c1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1Cl ZINC001439537438 1065838900 /nfs/dbraw/zinc/83/89/00/1065838900.db2.gz PREWNGCIBSODHO-UHFFFAOYSA-N 0 0 457.935 4.895 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 ZINC001439539085 1065838968 /nfs/dbraw/zinc/83/89/68/1065838968.db2.gz XNEPKMSTTPMMBA-QHCPKHFHSA-N 0 0 457.534 4.700 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)CCS1 ZINC001360762501 1065839325 /nfs/dbraw/zinc/83/93/25/1065839325.db2.gz GMDIBXGKFGSCRG-WIYYLYMNSA-N 0 0 495.089 4.581 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360762518 1065839349 /nfs/dbraw/zinc/83/93/49/1065839349.db2.gz GULYQPDFPLPETQ-AEFFLSMTSA-N 0 0 489.617 4.850 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2(C)C)c1 ZINC001439548090 1065839600 /nfs/dbraw/zinc/83/96/00/1065839600.db2.gz NGMBFTUBWCKASA-GOSISDBHSA-N 0 0 455.407 4.652 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360762723 1065840807 /nfs/dbraw/zinc/84/08/07/1065840807.db2.gz KMVXJUTZFHOYMA-ZDUSSCGKSA-N 0 0 473.006 4.746 20 0 JJADRN CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C)c1cccnc1 ZINC001360762791 1065841371 /nfs/dbraw/zinc/84/13/71/1065841371.db2.gz LGLBOCMMDJLMGU-TZIWHRDSSA-N 0 0 496.631 4.743 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C2CCC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360762887 1065841438 /nfs/dbraw/zinc/84/14/38/1065841438.db2.gz MOXOKOAOOSYJIW-QGZVFWFLSA-N 0 0 461.582 4.803 20 0 JJADRN Cc1cc(C(=O)NC[C@]2(c3ccccc3)CCCO2)c(I)cc1Cl ZINC001439561491 1065841716 /nfs/dbraw/zinc/84/17/16/1065841716.db2.gz LNNUJDKORJIDLH-IBGZPJMESA-N 0 0 455.723 4.689 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)c2cccs2)n1CC1CCS(=O)(=O)CC1 ZINC001360763111 1065842706 /nfs/dbraw/zinc/84/27/06/1065842706.db2.gz QKFTUNNWEZBHEY-IAGOWNOFSA-N 0 0 492.642 4.641 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2OCCCO3)C1 ZINC001439583043 1065844091 /nfs/dbraw/zinc/84/40/91/1065844091.db2.gz HZXUZMRDLBTATD-SFHVURJKSA-N 0 0 452.551 4.582 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360764716 1065845438 /nfs/dbraw/zinc/84/54/38/1065845438.db2.gz DSAQLAHDWHHKHC-IAGOWNOFSA-N 0 0 482.547 4.828 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc(Br)cc1C(F)(F)F ZINC001439596275 1065846623 /nfs/dbraw/zinc/84/66/23/1065846623.db2.gz NVIGEYMRYZKTAQ-NSHDSACASA-N 0 0 459.237 4.907 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1([S@](C)=O)CCC1 ZINC001360764897 1065846868 /nfs/dbraw/zinc/84/68/68/1065846868.db2.gz HFQBQJGDHSJOBU-YDVVPIMXSA-N 0 0 460.619 4.651 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCOc1ccc(Cl)cn1 ZINC001360764969 1065846901 /nfs/dbraw/zinc/84/69/01/1065846901.db2.gz INUOTIVLHQFHEU-QGZVFWFLSA-N 0 0 482.947 4.716 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001360764990 1065847541 /nfs/dbraw/zinc/84/75/41/1065847541.db2.gz JACPZWMIUVJZBH-GSHUGGBRSA-N 0 0 486.510 4.674 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)Cc1cn3cc(Cl)cc(Cl)c3n1)CC2 ZINC001439613855 1065847884 /nfs/dbraw/zinc/84/78/84/1065847884.db2.gz NOVYJOCIXMYQKA-UHFFFAOYSA-N 0 0 453.167 4.839 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21 ZINC001439619052 1065848157 /nfs/dbraw/zinc/84/81/57/1065848157.db2.gz LWHDBTXFICPGCK-UHFFFAOYSA-N 0 0 456.542 4.766 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccs2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360765070 1065848406 /nfs/dbraw/zinc/84/84/06/1065848406.db2.gz KQLPOMDTVATPDM-KRWDZBQOSA-N 0 0 492.642 4.613 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)c1nc(Br)ccc1F ZINC001439617642 1065848550 /nfs/dbraw/zinc/84/85/50/1065848550.db2.gz XLNDEAHXOYCYDC-UHFFFAOYSA-N 0 0 456.924 4.983 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)C1(c3cncc(Br)c3)CC1)CC2 ZINC001439620516 1065849090 /nfs/dbraw/zinc/84/90/90/1065849090.db2.gz CQZNXUNZCXMLKS-UHFFFAOYSA-N 0 0 450.174 4.532 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1 ZINC001439626148 1065849740 /nfs/dbraw/zinc/84/97/40/1065849740.db2.gz PSZKXRYLLBFVFS-UHFFFAOYSA-N 0 0 453.926 4.589 20 0 JJADRN CC(=O)c1cncc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)c1 ZINC001439630846 1065850577 /nfs/dbraw/zinc/85/05/77/1065850577.db2.gz XTSRUGSVCOAGSA-UHFFFAOYSA-N 0 0 456.399 4.687 20 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1065852841 /nfs/dbraw/zinc/85/28/41/1065852841.db2.gz OSJRHHGYSYOXAW-UHFFFAOYSA-N 0 0 455.530 4.926 20 0 JJADRN C[C@@H](CC(=O)N1CCNC(=O)c2cc(Br)ccc21)c1ccccc1C(F)(F)F ZINC001439644095 1065853093 /nfs/dbraw/zinc/85/30/93/1065853093.db2.gz QUQVQNCYXDAOFI-LBPRGKRZSA-N 0 0 455.274 4.738 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C(F)(F)F)ccc3Br)cc12 ZINC001439650735 1065853497 /nfs/dbraw/zinc/85/34/97/1065853497.db2.gz UOHIQMCSBSAPTG-UHFFFAOYSA-N 0 0 456.218 4.545 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(Cc2ccoc2)C2CC2)c(Cl)cc1Cl ZINC001439651782 1065853514 /nfs/dbraw/zinc/85/35/14/1065853514.db2.gz IECUUNXLDUBGDP-CYBMUJFWSA-N 0 0 459.395 4.858 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)c2ccccc12 ZINC001439662238 1065853789 /nfs/dbraw/zinc/85/37/89/1065853789.db2.gz NHUNOVIHHXNLIJ-UHFFFAOYSA-N 0 0 451.479 4.853 20 0 JJADRN Cc1cc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)ccc1S(=O)(=O)N(C)C ZINC001439665069 1065854267 /nfs/dbraw/zinc/85/42/67/1065854267.db2.gz SEXMEHPPUCNUJX-UHFFFAOYSA-N 0 0 452.363 4.595 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(OC(C)(C)C)c2)ccc1OCC(=O)N1CCCCC1 ZINC001439675788 1065854971 /nfs/dbraw/zinc/85/49/71/1065854971.db2.gz FCYFEJKLRREQLK-UHFFFAOYSA-N 0 0 454.567 4.906 20 0 JJADRN O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001439674830 1065855108 /nfs/dbraw/zinc/85/51/08/1065855108.db2.gz JFHNVPQQMAFZLD-XMMPIXPASA-N 0 0 454.448 4.535 20 0 JJADRN Cc1c(CC(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)nnn1-c1ccc(C)cc1 ZINC001439674621 1065855241 /nfs/dbraw/zinc/85/52/41/1065855241.db2.gz HMOKAEMRGPTJGB-UHFFFAOYSA-N 0 0 458.537 4.504 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCCC(F)(F)F ZINC001360767191 1065855210 /nfs/dbraw/zinc/85/52/10/1065855210.db2.gz LDKHZAAUILLWJL-HOTGVXAUSA-N 0 0 456.484 4.905 20 0 JJADRN O=C(COc1ccc(Br)cc1)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001439676213 1065855855 /nfs/dbraw/zinc/85/58/55/1065855855.db2.gz LKMKCTJFRXAMOX-UHFFFAOYSA-N 0 0 458.327 4.905 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC001439681472 1065857105 /nfs/dbraw/zinc/85/71/05/1065857105.db2.gz PDRMGWOVSCASJV-SOZUMNATSA-N 0 0 457.258 4.560 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC001439681465 1065857186 /nfs/dbraw/zinc/85/71/86/1065857186.db2.gz PDRMGWOVSCASJV-SEDUGSJDSA-N 0 0 457.258 4.560 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC1CCOCC1 ZINC001360767683 1065857534 /nfs/dbraw/zinc/85/75/34/1065857534.db2.gz SRDFIDQVWWALDR-MRXNPFEDSA-N 0 0 498.521 4.722 20 0 JJADRN CC[C@@](C)(NC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2)C(N)=O ZINC001439686090 1065858177 /nfs/dbraw/zinc/85/81/77/1065858177.db2.gz ZZOYMKCFSBLQPL-KMAVEXBHSA-N 0 0 451.929 4.898 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 ZINC001360769004 1065858860 /nfs/dbraw/zinc/85/88/60/1065858860.db2.gz BXBZGPYZEZSGNJ-FQEVSTJZSA-N 0 0 473.637 4.540 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCSCCCO ZINC001360768958 1065858940 /nfs/dbraw/zinc/85/89/40/1065858940.db2.gz AQNZTWQWSSOPHO-MOPGFXCFSA-N 0 0 462.635 4.689 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC001439695833 1065859419 /nfs/dbraw/zinc/85/94/19/1065859419.db2.gz REWDYJZSINHCHR-HBBDQGAXSA-N 0 0 454.489 4.894 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCCOCC1CCOCC1 ZINC001360769093 1065859622 /nfs/dbraw/zinc/85/96/22/1065859622.db2.gz DDVBSXZHWRMLBX-NJYVYQBISA-N 0 0 474.621 4.873 20 0 JJADRN COc1cc2ccc(C(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc2cc1OC ZINC001439697183 1065860040 /nfs/dbraw/zinc/86/00/40/1065860040.db2.gz VSGSWOPJGREZCK-IBVKSMDESA-N 0 0 454.567 4.767 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CC=CCO1 ZINC001360769144 1065860345 /nfs/dbraw/zinc/86/03/45/1065860345.db2.gz DTWAXJNQURHZKH-CABCVRRESA-N 0 0 453.345 4.802 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439702823 1065861088 /nfs/dbraw/zinc/86/10/88/1065861088.db2.gz RJHWYACQEMPMGP-OAHLLOKOSA-N 0 0 451.926 4.818 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360769462 1065861771 /nfs/dbraw/zinc/86/17/71/1065861771.db2.gz JGECUIZPDMIHEA-IEDBIQLYSA-N 0 0 464.651 4.977 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360769460 1065861998 /nfs/dbraw/zinc/86/19/98/1065861998.db2.gz JGECUIZPDMIHEA-DSMAOHMUSA-N 0 0 464.651 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2cc(Cl)ccc2Br)C(C)(C)C1 ZINC001439705621 1065862067 /nfs/dbraw/zinc/86/20/67/1065862067.db2.gz YUGMJTXZGMCCBK-INIZCTEOSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CCCO)CC2)n1CCSC(F)(F)F ZINC001360769913 1065863278 /nfs/dbraw/zinc/86/32/78/1065863278.db2.gz PNAGNNUFFHSDGU-OAHLLOKOSA-N 0 0 476.540 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1coc(-c2ccccc2Cl)n1 ZINC001439709306 1065863345 /nfs/dbraw/zinc/86/33/45/1065863345.db2.gz ZZEIKIHSPRPNAW-UYAOXDASSA-N 0 0 453.926 4.916 20 0 JJADRN COc1cccc(F)c1CNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439717070 1065863733 /nfs/dbraw/zinc/86/37/33/1065863733.db2.gz QLPKZRKRUUOWGG-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2cccc(Cl)c2OC)ccc1OCc1c(C)noc1C ZINC001439728532 1065864586 /nfs/dbraw/zinc/86/45/86/1065864586.db2.gz WXXKRUFJSJKIQV-LUAWRHEFSA-N 0 0 456.926 4.871 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2cccc(Cl)c2OC)ccc1OCc1c(C)noc1C ZINC001439728535 1065864732 /nfs/dbraw/zinc/86/47/32/1065864732.db2.gz WXXKRUFJSJKIQV-PKNBQFBNSA-N 0 0 456.926 4.871 20 0 JJADRN O=C(c1ccccc1Oc1cccc(Br)c1)N1CCC(N2CCCOC2=O)CC1 ZINC001439731675 1065865169 /nfs/dbraw/zinc/86/51/69/1065865169.db2.gz RKTNRIVAKIAKCQ-UHFFFAOYSA-N 0 0 459.340 4.688 20 0 JJADRN COc1ccc(Br)c(C(=O)NCCc2cc(Br)ccc2SC)c1 ZINC001439729067 1065865191 /nfs/dbraw/zinc/86/51/91/1065865191.db2.gz PKXSWOHIPWVOAG-UHFFFAOYSA-N 0 0 459.203 4.915 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360770085 1065865398 /nfs/dbraw/zinc/86/53/98/1065865398.db2.gz SKOBYUBTAMOGKY-SFHVURJKSA-N 0 0 452.578 4.693 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360770084 1065865484 /nfs/dbraw/zinc/86/54/84/1065865484.db2.gz SKOBYUBTAMOGKY-GOSISDBHSA-N 0 0 452.578 4.693 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC001439731834 1065865762 /nfs/dbraw/zinc/86/57/62/1065865762.db2.gz ZEGOCQOTBBGGOY-UHFFFAOYSA-N 0 0 452.389 4.717 20 0 JJADRN CC1(C)CC[C@H](CCNC(=O)CCc2cc(Br)c(Br)s2)OC1 ZINC001439731521 1065865945 /nfs/dbraw/zinc/86/59/45/1065865945.db2.gz DAJARQVVPNDDAB-LLVKDONJSA-N 0 0 453.240 4.917 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCC[C@H]2CCC(C)(C)CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001439733096 1065866577 /nfs/dbraw/zinc/86/65/77/1065866577.db2.gz GNOVMOOFXCPBQH-WWMYMODYSA-N 0 0 452.998 4.879 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1OC(F)(F)F ZINC001360770531 1065866609 /nfs/dbraw/zinc/86/66/09/1065866609.db2.gz FJQDNLLEYPYAKS-OAQYLSRUSA-N 0 0 456.464 4.551 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCN1CCCCC1=O ZINC001360770384 1065866908 /nfs/dbraw/zinc/86/69/08/1065866908.db2.gz YBAHWAPCGWBELS-UXHICEINSA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439734070 1065867312 /nfs/dbraw/zinc/86/73/12/1065867312.db2.gz JDFFWRLXAFXMOQ-SFHVURJKSA-N 0 0 450.913 4.640 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CCC=CO1 ZINC001360770588 1065867277 /nfs/dbraw/zinc/86/72/77/1065867277.db2.gz ZJXPPIOFCLXYMR-PRCFCKQXSA-N 0 0 498.521 4.780 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H]1CCC=CO1 ZINC001360770589 1065867380 /nfs/dbraw/zinc/86/73/80/1065867380.db2.gz ZJXPPIOFCLXYMR-TXBYWVTISA-N 0 0 498.521 4.780 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@@H]2CCOc3c(F)cccc32)cc1OCC ZINC001439738431 1065867979 /nfs/dbraw/zinc/86/79/79/1065867979.db2.gz HPIWWTFPZFSWFT-QGZVFWFLSA-N 0 0 452.320 4.568 20 0 JJADRN COC(=O)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1F ZINC001439745373 1065869297 /nfs/dbraw/zinc/86/92/97/1065869297.db2.gz QBOMKOCAZGBADI-UHFFFAOYSA-N 0 0 459.827 4.535 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001360771947 1065869366 /nfs/dbraw/zinc/86/93/66/1065869366.db2.gz GFCANOKNHLKRHU-SZNDQCEHSA-N 0 0 453.963 4.701 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F ZINC001360772483 1065869473 /nfs/dbraw/zinc/86/94/73/1065869473.db2.gz HRSOCKUPOPLPJN-CABCVRRESA-N 0 0 487.498 4.613 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC001439749588 1065870306 /nfs/dbraw/zinc/87/03/06/1065870306.db2.gz YVYBHOFZXINAMW-VKKVRDMRSA-N 0 0 456.608 4.767 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCC1(C)CC1 ZINC001360772994 1065870908 /nfs/dbraw/zinc/87/09/08/1065870908.db2.gz FXXABMIMRQPBLO-INIZCTEOSA-N 0 0 487.517 4.770 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1CCc1ccc(Cl)s1 ZINC001360772957 1065870994 /nfs/dbraw/zinc/87/09/94/1065870994.db2.gz FTIGQALUVFZHHX-OAHLLOKOSA-N 0 0 450.967 4.742 20 0 JJADRN CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360773347 1065871812 /nfs/dbraw/zinc/87/18/12/1065871812.db2.gz QQCOIILMCPRZHL-QZTJIDSGSA-N 0 0 452.368 4.830 20 0 JJADRN O=C(c1ccccc1OC(F)F)N1CCC[C@H](C(=O)N2CCC[C@H]2/C=C\c2ccccc2)C1 ZINC001439760748 1065872587 /nfs/dbraw/zinc/87/25/87/1065872587.db2.gz SDZJTFVKJMWSER-PERWDHGISA-N 0 0 454.517 4.845 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001360774371 1065873339 /nfs/dbraw/zinc/87/33/39/1065873339.db2.gz ZELGYRCWYMHGQZ-UWJYYQICSA-N 0 0 450.000 4.709 20 0 JJADRN CSC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC001360774346 1065873360 /nfs/dbraw/zinc/87/33/60/1065873360.db2.gz ZBLGXYPEGQJYNW-IBGZPJMESA-N 0 0 454.617 4.563 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC001439777045 1065874174 /nfs/dbraw/zinc/87/41/74/1065874174.db2.gz ZPIFFCHFVGMUIB-UHFFFAOYSA-N 0 0 455.327 4.554 20 0 JJADRN CSC[C@H](C(=O)Nc1cccc(Oc2ccccc2C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001439775886 1065874196 /nfs/dbraw/zinc/87/41/96/1065874196.db2.gz QSEUNEFKYGLVNG-QHAWAJNXSA-N 0 0 452.576 4.633 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCc3cc(Br)c(F)cc3C2)c1Br ZINC001439776070 1065874231 /nfs/dbraw/zinc/87/42/31/1065874231.db2.gz WHQATOIQUCJHAZ-UHFFFAOYSA-N 0 0 459.157 4.501 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H]1CCCOC1 ZINC001360774900 1065874535 /nfs/dbraw/zinc/87/45/35/1065874535.db2.gz PVOVPYRXPBORFF-GVDBMIGSSA-N 0 0 456.484 4.763 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCCC3(CCC3)O2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439778311 1065875049 /nfs/dbraw/zinc/87/50/49/1065875049.db2.gz OBZBXCNJVVRQSF-LLGFUMIMSA-N 0 0 450.982 4.775 20 0 JJADRN CCOC(=O)C1([C@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)CCOCC1 ZINC001439777366 1065875121 /nfs/dbraw/zinc/87/51/21/1065875121.db2.gz SKPAEDPCZSHSQR-SFHVURJKSA-N 0 0 454.592 4.544 20 0 JJADRN Cc1noc(Cc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)cc2)n1 ZINC001439778507 1065875149 /nfs/dbraw/zinc/87/51/49/1065875149.db2.gz XCDVBXLQRJCEFA-JREAUHRESA-N 0 0 454.571 4.627 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCCC1CCCC1 ZINC001360774935 1065875308 /nfs/dbraw/zinc/87/53/08/1065875308.db2.gz QAWIKPACAIZLTC-PZJWPPBQSA-N 0 0 492.661 4.931 20 0 JJADRN COc1ccc(F)cc1C(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 ZINC001439780746 1065875725 /nfs/dbraw/zinc/87/57/25/1065875725.db2.gz XGAKHEPHXQWPKQ-HXUWFJFHSA-N 0 0 453.295 4.676 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360774999 1065875782 /nfs/dbraw/zinc/87/57/82/1065875782.db2.gz QGUHAPIRTGZGPT-RTBURBONSA-N 0 0 499.587 4.940 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360774996 1065875885 /nfs/dbraw/zinc/87/58/85/1065875885.db2.gz QGUHAPIRTGZGPT-OALUTQOASA-N 0 0 499.587 4.940 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC(C)(C)C2)n1CCCOC1CCOCC1 ZINC001360775204 1065876651 /nfs/dbraw/zinc/87/66/51/1065876651.db2.gz QYOYGYZCWGEFQX-LJQANCHMSA-N 0 0 460.594 4.769 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCNC(=O)OC(C)(C)C ZINC001360775351 1065877449 /nfs/dbraw/zinc/87/74/49/1065877449.db2.gz SJBHCOHRCLSVSZ-JKSUJKDBSA-N 0 0 483.535 4.563 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc(C(F)(F)F)c1 ZINC001439788793 1065877331 /nfs/dbraw/zinc/87/73/31/1065877331.db2.gz KYPGNWXHJQALIX-IBGZPJMESA-N 0 0 450.457 4.785 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)c(OCC(C)C)c1 ZINC001439788657 1065877512 /nfs/dbraw/zinc/87/75/12/1065877512.db2.gz KPCLNSRZDHNSMK-ZZZKQGFOSA-N 0 0 455.418 4.680 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000025850949 1065877581 /nfs/dbraw/zinc/87/75/81/1065877581.db2.gz HOMNXJXETIEWBC-UHFFFAOYSA-N 0 0 492.630 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2c(F)ccc(Br)c2F)C1 ZINC001439793486 1065878586 /nfs/dbraw/zinc/87/85/86/1065878586.db2.gz IRFWRYMCEPWSOV-SECBINFHSA-N 0 0 455.246 4.558 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2c(F)ccc(Br)c2F)c1 ZINC001439797206 1065879309 /nfs/dbraw/zinc/87/93/09/1065879309.db2.gz UGBSSQWWTORLPS-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)cc1 ZINC001439797754 1065880046 /nfs/dbraw/zinc/88/00/46/1065880046.db2.gz IGNWLKXTMFECRA-UHFFFAOYSA-N 0 0 455.234 4.878 20 0 JJADRN COc1cccc(C(=O)Nc2ccc(I)c(Cl)c2)c1OC(F)F ZINC001439799498 1065880094 /nfs/dbraw/zinc/88/00/94/1065880094.db2.gz NQOVLFRAGFVRCF-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)cc1C(F)(F)F)N1CCCCc2ccccc21 ZINC001439799963 1065880109 /nfs/dbraw/zinc/88/01/09/1065880109.db2.gz CFAVSVHSWLQJJO-UHFFFAOYSA-N 0 0 455.274 4.567 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1nccs1 ZINC001360775745 1065880040 /nfs/dbraw/zinc/88/00/40/1065880040.db2.gz ZCWHVYWPTXUWFR-LSDHHAIUSA-N 0 0 485.507 4.610 20 0 JJADRN CCCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1C[C@H](OCC)C1(C)C ZINC001360776765 1065880434 /nfs/dbraw/zinc/88/04/34/1065880434.db2.gz LFZFCGYECOCTBQ-ROUUACIJSA-N 0 0 454.434 4.811 20 0 JJADRN COC(=O)c1ccc(OC)c(F)c1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001439805156 1065880643 /nfs/dbraw/zinc/88/06/43/1065880643.db2.gz XKBBLIMKDOKIEJ-UHFFFAOYSA-N 0 0 455.486 4.875 20 0 JJADRN O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001360777160 1065881249 /nfs/dbraw/zinc/88/12/49/1065881249.db2.gz QIEATRKPWZMXKG-QGZVFWFLSA-N 0 0 456.384 4.821 20 0 JJADRN O=C(NCc1cc(F)ccc1N1CCOCC1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001360777265 1065881315 /nfs/dbraw/zinc/88/13/15/1065881315.db2.gz STRMKFYBCOHMQW-DEOSSOPVSA-N 0 0 454.542 4.951 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC1CCOCC1 ZINC001360777657 1065882002 /nfs/dbraw/zinc/88/20/02/1065882002.db2.gz CMFCOMMKYPGGJV-AVRDEDQJSA-N 0 0 460.594 4.625 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001439819613 1065882248 /nfs/dbraw/zinc/88/22/48/1065882248.db2.gz AVUJCLMLSXXYEY-UHFFFAOYSA-N 0 0 455.805 4.833 20 0 JJADRN CC(C)(C)c1cc2n(n1)CCN(C(=O)c1csc(-c3cc(Br)cs3)n1)C2 ZINC001439820147 1065882258 /nfs/dbraw/zinc/88/22/58/1065882258.db2.gz AZJYJIMQIVYKAY-UHFFFAOYSA-N 0 0 451.415 4.784 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCOCC(F)F ZINC001360777731 1065882576 /nfs/dbraw/zinc/88/25/76/1065882576.db2.gz DULDKAOAAMBSJU-OWCLPIDISA-N 0 0 458.550 4.559 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CCS1 ZINC001360778045 1065883209 /nfs/dbraw/zinc/88/32/09/1065883209.db2.gz JWKLCYWVNJPOFL-QAPCUYQASA-N 0 0 480.560 4.775 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CCO1 ZINC001360778035 1065883238 /nfs/dbraw/zinc/88/32/38/1065883238.db2.gz JVHXYWBTTQUSCG-JXFKEZNVSA-N 0 0 493.505 4.881 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CCS1 ZINC001360778044 1065883258 /nfs/dbraw/zinc/88/32/58/1065883258.db2.gz JWKLCYWVNJPOFL-MAUKXSAKSA-N 0 0 480.560 4.775 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1Cc1cccnc1OCC(F)F ZINC001360777879 1065883273 /nfs/dbraw/zinc/88/32/73/1065883273.db2.gz HHTPQGOOOOSQNI-CVEARBPZSA-N 0 0 493.555 4.586 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cccnc1SCc1cccc(Br)c1)c1cnn(C)c1 ZINC001439830999 1065884476 /nfs/dbraw/zinc/88/44/76/1065884476.db2.gz DBGIIAOIGBJIJM-LJQANCHMSA-N 0 0 459.413 4.997 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCOC3(CCCCC3)C2)n1CCCCCCO ZINC001360778393 1065884393 /nfs/dbraw/zinc/88/43/93/1065884393.db2.gz OZQASAIGRKYSHV-FQEVSTJZSA-N 0 0 460.594 4.649 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCSC2)CCS1 ZINC001360778308 1065884557 /nfs/dbraw/zinc/88/45/57/1065884557.db2.gz NQBDGNFXGCJYHW-ZWOKBUDYSA-N 0 0 450.649 4.888 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)CCS1 ZINC001360778291 1065884599 /nfs/dbraw/zinc/88/45/99/1065884599.db2.gz NMGNPZLWUUKINT-PGRDOPGGSA-N 0 0 472.634 4.501 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)C1 ZINC001360778967 1065885798 /nfs/dbraw/zinc/88/57/98/1065885798.db2.gz GPVNKONAFCOJHA-SFHVURJKSA-N 0 0 454.368 4.890 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)c(OCCC(C)C)c1 ZINC001439853916 1065887140 /nfs/dbraw/zinc/88/71/40/1065887140.db2.gz ZRDKCYFZJOOSMB-LJQANCHMSA-N 0 0 454.567 4.620 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@H](C(=O)OC)c3ccc(C(F)(F)F)cc3)c2)c1C ZINC001439856420 1065887187 /nfs/dbraw/zinc/88/71/87/1065887187.db2.gz RYANJNWTWJMVAV-NRFANRHFSA-N 0 0 459.468 4.714 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)C2)n1 ZINC001439859120 1065887223 /nfs/dbraw/zinc/88/72/23/1065887223.db2.gz LLUOVDLLCWIHHJ-BBRMVZONSA-N 0 0 457.328 4.648 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360780145 1065888285 /nfs/dbraw/zinc/88/82/85/1065888285.db2.gz VFWZBPOFPFVMPZ-OAHLLOKOSA-N 0 0 457.290 4.851 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3cnn(-c4ccccc4)c3Br)ccc2s1 ZINC001439873737 1065888441 /nfs/dbraw/zinc/88/84/41/1065888441.db2.gz VIUABCCREMTJQP-UHFFFAOYSA-N 0 0 456.321 4.888 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)ccc2s1 ZINC001439874662 1065888582 /nfs/dbraw/zinc/88/85/82/1065888582.db2.gz ZOZHSJOFICPFLO-IBGZPJMESA-N 0 0 452.532 4.818 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@]1(C)CCCO1 ZINC001360780455 1065888670 /nfs/dbraw/zinc/88/86/70/1065888670.db2.gz IHMRCQQIKXXDFO-DVSDUFGPSA-N 0 0 452.521 4.854 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001439887570 1065888920 /nfs/dbraw/zinc/88/89/20/1065888920.db2.gz 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DYAGOMWRIIMGOB-UHFFFAOYSA-N 0 0 475.435 4.807 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1cc2ccccc2c(=O)o1)C(F)(F)F ZINC001440122831 1065914449 /nfs/dbraw/zinc/91/44/49/1065914449.db2.gz QYISKJWGVPVNJV-LJQANCHMSA-N 0 0 455.436 4.671 20 0 JJADRN NC(=O)NC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 ZINC001440138954 1065914984 /nfs/dbraw/zinc/91/49/84/1065914984.db2.gz POIFDFTWTDOLRA-UHFFFAOYSA-N 0 0 459.527 4.927 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[C@@H](C)c2ccccc21 ZINC001440142003 1065915577 /nfs/dbraw/zinc/91/55/77/1065915577.db2.gz DBMKBGOTCAQSQV-WGDIFIGCSA-N 0 0 452.551 4.658 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360805108 1065916357 /nfs/dbraw/zinc/91/63/57/1065916357.db2.gz HZMNQWYUEDCGGX-GJZGRUSLSA-N 0 0 480.476 4.687 20 0 JJADRN CCCc1sc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)cc1Br ZINC001440146165 1065916324 /nfs/dbraw/zinc/91/63/24/1065916324.db2.gz LBRCRYYLISQWJJ-HNNXBMFYSA-N 0 0 453.402 4.956 20 0 JJADRN 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463.420 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)C1 ZINC001440176741 1065920747 /nfs/dbraw/zinc/92/07/47/1065920747.db2.gz UNMDEVMNMCWGRT-AZUAARDMSA-N 0 0 454.571 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3cc(-c4ccccc4)ns3)n2)C1 ZINC001440178693 1065921475 /nfs/dbraw/zinc/92/14/75/1065921475.db2.gz ZPWWCSRYENUMJD-MRXNPFEDSA-N 0 0 451.552 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)ccn2)CC1 ZINC001440179698 1065921942 /nfs/dbraw/zinc/92/19/42/1065921942.db2.gz JSLGEGGPTKTUAH-UHFFFAOYSA-N 0 0 455.399 4.504 20 0 JJADRN COc1ccc(CCC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)cc1Br ZINC001440181684 1065922027 /nfs/dbraw/zinc/92/20/27/1065922027.db2.gz JFIJPBBKOONKOM-FQEVSTJZSA-N 0 0 453.380 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545928673 1065922087 /nfs/dbraw/zinc/92/20/87/1065922087.db2.gz GUNCBYMLGMPYEX-SFGWALBWSA-N 0 0 471.621 4.706 20 0 JJADRN 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BKSKCGWHGVLELG-LJQANCHMSA-N 0 0 457.885 4.695 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cc(Br)c(F)cc2N)cc1 ZINC001440755072 1065976364 /nfs/dbraw/zinc/97/63/64/1065976364.db2.gz WDIGOWQDNYMUAL-UHFFFAOYSA-N 0 0 459.271 4.651 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)CC1 ZINC001360857935 1065976872 /nfs/dbraw/zinc/97/68/72/1065976872.db2.gz RKPLKFXELJFLKB-MRXNPFEDSA-N 0 0 481.822 4.816 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001360858107 1065977445 /nfs/dbraw/zinc/97/74/45/1065977445.db2.gz YYSDRKKTLMKRBB-FQEVSTJZSA-N 0 0 475.431 4.860 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(C)C)C1 ZINC001360858204 1065977451 /nfs/dbraw/zinc/97/74/51/1065977451.db2.gz CDHYDTASSGVCIV-PMACEKPBSA-N 0 0 483.588 4.761 20 0 JJADRN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC001440763208 1065977516 /nfs/dbraw/zinc/97/75/16/1065977516.db2.gz UVBMWXCZYULQSY-UHFFFAOYSA-N 0 0 450.947 4.658 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC001440764388 1065977574 /nfs/dbraw/zinc/97/75/74/1065977574.db2.gz CUKFPXZJAXPOEQ-QGZVFWFLSA-N 0 0 452.805 4.844 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(Cl)s2)CC1 ZINC001360858463 1065977695 /nfs/dbraw/zinc/97/76/95/1065977695.db2.gz LXGVLUGLOOPRRN-UHFFFAOYSA-N 0 0 462.019 4.540 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)(C)C ZINC001360858430 1065977712 /nfs/dbraw/zinc/97/77/12/1065977712.db2.gz LBJCUZGBOPPXBG-UHFFFAOYSA-N 0 0 488.430 4.911 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2c1 ZINC001440771257 1065977852 /nfs/dbraw/zinc/97/78/52/1065977852.db2.gz ZMZXQCIMZKKNHU-UHFFFAOYSA-N 0 0 457.596 4.723 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)C1 ZINC001440769522 1065977947 /nfs/dbraw/zinc/97/79/47/1065977947.db2.gz MPDHDFDRMVFJNY-VWPQPMDRSA-N 0 0 452.599 4.509 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC001440770151 1065978072 /nfs/dbraw/zinc/97/80/72/1065978072.db2.gz UIBUZBRGPXKYPH-JHHDMAMZSA-N 0 0 456.627 4.926 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)NCC2(c3ccccc3)CCCCC2)cc1OC ZINC001440774810 1065978240 /nfs/dbraw/zinc/97/82/40/1065978240.db2.gz XURDCULOHRQVNM-ICSRJNTNSA-N 0 0 450.579 4.930 20 0 JJADRN COc1cc(/C=C(\C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c2ccccc2)ccc1O ZINC001440776871 1065978447 /nfs/dbraw/zinc/97/84/47/1065978447.db2.gz BBQBNAQHRQLBDW-QNGOZBTKSA-N 0 0 458.514 4.716 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1C ZINC001360859108 1065978715 /nfs/dbraw/zinc/97/87/15/1065978715.db2.gz GORNPDGHKALWNV-UHFFFAOYSA-N 0 0 455.505 4.753 20 0 JJADRN COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c1 ZINC001440784032 1065978843 /nfs/dbraw/zinc/97/88/43/1065978843.db2.gz GVSGAAWJNIUXKH-DEOSSOPVSA-N 0 0 450.579 4.681 20 0 JJADRN CCOCCOCc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)c1C ZINC001360859596 1065978856 /nfs/dbraw/zinc/97/88/56/1065978856.db2.gz TYTQDUOKHMYVPF-UHFFFAOYSA-N 0 0 459.608 4.582 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC001360860356 1065978903 /nfs/dbraw/zinc/97/89/03/1065978903.db2.gz JZMZWIZSXVTZFT-GOSISDBHSA-N 0 0 452.551 4.567 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001440792259 1065979389 /nfs/dbraw/zinc/97/93/89/1065979389.db2.gz WAZQWBREKGQXMA-RTWAWAEBSA-N 0 0 455.603 4.757 20 0 JJADRN CCCN(CC)C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001440792439 1065979533 /nfs/dbraw/zinc/97/95/33/1065979533.db2.gz BOHZNJDPGCPFLU-XHCCPWGMSA-N 0 0 450.579 4.673 20 0 JJADRN COc1cccc([C@H]2CCCN2C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001440797898 1065979878 /nfs/dbraw/zinc/97/98/78/1065979878.db2.gz XGZSKRRYEJYDHN-XMMPIXPASA-N 0 0 450.579 4.895 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2nc(C(C)(C)C)cs2)c1C ZINC001360862095 1065979849 /nfs/dbraw/zinc/97/98/49/1065979849.db2.gz FRHMKGUCXKVSOT-UHFFFAOYSA-N 0 0 454.644 4.896 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001440801873 1065980477 /nfs/dbraw/zinc/98/04/77/1065980477.db2.gz COCZZTZATSYJDE-VWLOTQADSA-N 0 0 455.555 4.787 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001360862272 1065980389 /nfs/dbraw/zinc/98/03/89/1065980389.db2.gz KWWOLIWJVRRGPC-NRFANRHFSA-N 0 0 486.016 4.857 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cs1 ZINC001440818832 1065980720 /nfs/dbraw/zinc/98/07/20/1065980720.db2.gz OOZIVSYRAZQNLB-KDOFPFPSSA-N 0 0 455.584 4.593 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(C)c1Br ZINC001440819252 1065980827 /nfs/dbraw/zinc/98/08/27/1065980827.db2.gz YYPBIPNQHVDGKJ-UHFFFAOYSA-N 0 0 458.400 4.645 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360862380 1065980909 /nfs/dbraw/zinc/98/09/09/1065980909.db2.gz OLYHQWGMDTTYNT-NNMXDRDESA-N 0 0 483.613 4.709 20 0 JJADRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1c(O)cnc2c(Br)cccc21 ZINC001440822758 1065981523 /nfs/dbraw/zinc/98/15/23/1065981523.db2.gz BMNASERSKTWSJM-UHFFFAOYSA-N 0 0 455.230 4.574 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360862853 1065981802 /nfs/dbraw/zinc/98/18/02/1065981802.db2.gz YHUWCSUBOZZSFN-HDICACEKSA-N 0 0 486.016 4.714 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)n2)cc(Cl)c1OC ZINC001360863422 1065981985 /nfs/dbraw/zinc/98/19/85/1065981985.db2.gz SQFNHEIMRFCCRO-RHSMWYFYSA-N 0 0 459.930 4.933 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@@H](c2ccco2)C1 ZINC001360863621 1065982165 /nfs/dbraw/zinc/98/21/65/1065982165.db2.gz XXZUJAAAKYRWKZ-OXQOHEQNSA-N 0 0 450.988 4.721 20 0 JJADRN CCOc1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)ccc1OCC(=O)N1CCCCC1 ZINC001360863538 1065982261 /nfs/dbraw/zinc/98/22/61/1065982261.db2.gz VUFBTJVLFPEVSK-FPOVZHCZSA-N 0 0 454.567 4.683 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1)c1ccccc1 ZINC001360863476 1065982332 /nfs/dbraw/zinc/98/23/32/1065982332.db2.gz ULACCKCSJJTRFR-DNVFCKCGSA-N 0 0 452.576 4.933 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nc(C(C)C)cs2)c1C ZINC001360864325 1065982501 /nfs/dbraw/zinc/98/25/01/1065982501.db2.gz ANOIUIXACAXBSD-UHFFFAOYSA-N 0 0 454.644 4.797 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(C)CCOCC2)c1C ZINC001360864393 1065982546 /nfs/dbraw/zinc/98/25/46/1065982546.db2.gz BFPUNSKREMIEHQ-UHFFFAOYSA-N 0 0 453.631 4.519 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 ZINC001440833857 1065982975 /nfs/dbraw/zinc/98/29/75/1065982975.db2.gz NBPNCCFAUGYLQA-OAHLLOKOSA-N 0 0 459.365 4.992 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2nc(C(F)(F)F)cs2)c1C ZINC001360864733 1065983090 /nfs/dbraw/zinc/98/30/90/1065983090.db2.gz HETWTVZJPHHPMP-UHFFFAOYSA-N 0 0 478.544 4.761 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2cccs2)c1C ZINC001360864939 1065983217 /nfs/dbraw/zinc/98/32/17/1065983217.db2.gz MGBDUSXGFBYDNL-AREMUKBSSA-N 0 0 481.666 4.672 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1C ZINC001360865143 1065983536 /nfs/dbraw/zinc/98/35/36/1065983536.db2.gz SOMOKKBFUKIVBZ-FBLLAGFSSA-N 0 0 497.684 4.705 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c2cccs2)cc1 ZINC001440863323 1065984064 /nfs/dbraw/zinc/98/40/64/1065984064.db2.gz ATTGHMQVXLDCKN-RUZDIDTESA-N 0 0 459.571 4.991 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(c3ccccn3)CCC2)c1C ZINC001360865258 1065984219 /nfs/dbraw/zinc/98/42/19/1065984219.db2.gz WHKAEVOMCRDICV-UHFFFAOYSA-N 0 0 460.626 4.685 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OCC ZINC001440862705 1065984267 /nfs/dbraw/zinc/98/42/67/1065984267.db2.gz NBMCTLILWNIRRR-NRFANRHFSA-N 0 0 454.615 4.531 20 0 JJADRN O=C(N1CCCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001440864188 1065984582 /nfs/dbraw/zinc/98/45/82/1065984582.db2.gz LMCLISBJOSEQCM-UHFFFAOYSA-N 0 0 457.746 4.929 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2CC(=O)NC2CCCCC2)c1C ZINC001360865454 1065984720 /nfs/dbraw/zinc/98/47/20/1065984720.db2.gz BSWYKQMDLFBMKH-HXUWFJFHSA-N 0 0 455.647 4.966 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1F ZINC001440866851 1065985132 /nfs/dbraw/zinc/98/51/32/1065985132.db2.gz OFKXNSTYOJARCA-HXUWFJFHSA-N 0 0 458.534 4.837 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC2(F)CCC2)c1C ZINC001360865634 1065985307 /nfs/dbraw/zinc/98/53/07/1065985307.db2.gz FXNILFDCAFOPLK-IBGZPJMESA-N 0 0 459.610 4.668 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001440866469 1065985354 /nfs/dbraw/zinc/98/53/54/1065985354.db2.gz KUZXJINCHVMCAU-UHFFFAOYSA-N 0 0 453.583 4.901 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001360865694 1065985524 /nfs/dbraw/zinc/98/55/24/1065985524.db2.gz GZVYEDIPCZOTBF-RBUKOAKNSA-N 0 0 488.679 4.871 20 0 JJADRN Cn1cccc1[C@@H]1CCCCCN1C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440868152 1065985686 /nfs/dbraw/zinc/98/56/86/1065985686.db2.gz QLBCKFJXURZFAE-UWJYYQICSA-N 0 0 451.514 4.919 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC001440869149 1065985776 /nfs/dbraw/zinc/98/57/76/1065985776.db2.gz WOZKQEZBIYJKDG-QHCPKHFHSA-N 0 0 452.599 4.832 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCOC1 ZINC001360865841 1065985858 /nfs/dbraw/zinc/98/58/58/1065985858.db2.gz JIOVOERDAFZWFV-WOJBJXKFSA-N 0 0 455.628 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)C1 ZINC001440872187 1065986881 /nfs/dbraw/zinc/98/68/81/1065986881.db2.gz VKGMMRNVSCFZRG-DEOSSOPVSA-N 0 0 453.564 4.664 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1ccnc1C ZINC001360866229 1065988077 /nfs/dbraw/zinc/98/80/77/1065988077.db2.gz PAVSIDAJYULIGG-NRFANRHFSA-N 0 0 477.613 4.871 20 0 JJADRN Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001440877890 1065988182 /nfs/dbraw/zinc/98/81/82/1065988182.db2.gz OGJFNICFPVMPTN-JOCHJYFZSA-N 0 0 453.583 4.912 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)=NO1 ZINC001440880683 1065988520 /nfs/dbraw/zinc/98/85/20/1065988520.db2.gz FLANSWKJJHFGEL-FGZHOGPDSA-N 0 0 451.567 4.536 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)=NO1 ZINC001440880679 1065988582 /nfs/dbraw/zinc/98/85/82/1065988582.db2.gz FLANSWKJJHFGEL-FCHUYYIVSA-N 0 0 451.567 4.536 20 0 JJADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC001440882448 1065988597 /nfs/dbraw/zinc/98/85/97/1065988597.db2.gz OKBXMNXLXSQDHN-UHFFFAOYSA-N 0 0 458.506 4.902 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Cl)c3cccnc23)cc1 ZINC001440880877 1065988668 /nfs/dbraw/zinc/98/86/68/1065988668.db2.gz NMZFOVBXSWKOOW-UHFFFAOYSA-N 0 0 453.955 4.863 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)c2cccs2)cnn1C ZINC001360866583 1065989014 /nfs/dbraw/zinc/98/90/14/1065989014.db2.gz VYSJMLWGJKCFJG-FNZWTVRRSA-N 0 0 494.665 4.682 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 ZINC001440883657 1065989154 /nfs/dbraw/zinc/98/91/54/1065989154.db2.gz WMXPKWQQLWHCBD-LJQANCHMSA-N 0 0 452.473 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCO[C@H]1CCCC[C@@H]1C ZINC001545936459 1065989855 /nfs/dbraw/zinc/98/98/55/1065989855.db2.gz LVSGGWATCOMOEP-GMAHTHKFSA-N 0 0 489.705 4.721 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001440884905 1065989887 /nfs/dbraw/zinc/98/98/87/1065989887.db2.gz ZTTWCCBTHZXNPL-UHFFFAOYSA-N 0 0 455.755 4.598 20 0 JJADRN CC(C)n1ccc(CC(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)n1 ZINC001360866954 1065990805 /nfs/dbraw/zinc/99/08/05/1065990805.db2.gz FHZZIBIUYZATLJ-UHFFFAOYSA-N 0 0 452.356 4.806 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001360867548 1065990951 /nfs/dbraw/zinc/99/09/51/1065990951.db2.gz XKAYMFYCVQBHNR-XMMPIXPASA-N 0 0 454.567 4.648 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c(C)c1Br ZINC001360867898 1065991085 /nfs/dbraw/zinc/99/10/85/1065991085.db2.gz KWMHZPYWIGLWMV-UHFFFAOYSA-N 0 0 453.402 4.703 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2ccnc(Br)c2)c2c[nH]c3ccccc32)cc1 ZINC001440896416 1065991457 /nfs/dbraw/zinc/99/14/57/1065991457.db2.gz UBSVTENGBAQGCO-LJQANCHMSA-N 0 0 450.336 4.896 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001440895868 1065991506 /nfs/dbraw/zinc/99/15/06/1065991506.db2.gz BHZHRRDUXNRQCT-DEOSSOPVSA-N 0 0 456.543 4.720 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CCC[C@H]2C)c1C ZINC001360868339 1065991709 /nfs/dbraw/zinc/99/17/09/1065991709.db2.gz BRGDWKALLCAXNM-RADWXHQJSA-N 0 0 454.537 4.975 20 0 JJADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](CO)c1ccc(Cl)cc1)CC2 ZINC001440898582 1065992022 /nfs/dbraw/zinc/99/20/22/1065992022.db2.gz IYDBEYYTMPSRAK-AUSIDOKSSA-N 0 0 457.979 4.669 20 0 JJADRN COc1ccc(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)c(C)c1 ZINC001440898444 1065992059 /nfs/dbraw/zinc/99/20/59/1065992059.db2.gz XUGFQLRTBCBIIG-DEOSSOPVSA-N 0 0 458.558 4.993 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2Cc2ccc(F)cn2)c1C ZINC001360868410 1065992140 /nfs/dbraw/zinc/99/21/40/1065992140.db2.gz DNFDJLMIRJGCIO-DENIHFKCSA-N 0 0 453.562 4.623 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2CCn2cc(Cl)cn2)c1C ZINC001360868460 1065992161 /nfs/dbraw/zinc/99/21/61/1065992161.db2.gz FRYSXPWLXNLXIB-INIZCTEOSA-N 0 0 470.927 4.974 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(F)(F)C2)c1C ZINC001360868424 1065992169 /nfs/dbraw/zinc/99/21/69/1065992169.db2.gz DWYNNIAQSZENER-SVFBPWRDSA-N 0 0 491.627 4.626 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360868560 1065992647 /nfs/dbraw/zinc/99/26/47/1065992647.db2.gz HPZLCDUUJXWIQB-IQVDJAOASA-N 0 0 474.593 4.971 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCc2cnn(C)n2)c1C ZINC001360868746 1065993831 /nfs/dbraw/zinc/99/38/31/1065993831.db2.gz BKROYKMLJZNCDC-NRFANRHFSA-N 0 0 477.657 4.979 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001440920154 1065993921 /nfs/dbraw/zinc/99/39/21/1065993921.db2.gz MMRPYEZRAXQTNP-UHFFFAOYSA-N 0 0 451.470 4.760 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360868757 1065994071 /nfs/dbraw/zinc/99/40/71/1065994071.db2.gz BMPVJNCKRBBPBC-IRLDBZIGSA-N 0 0 497.684 4.687 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cnn(C2CCCCC2)c1 ZINC001440923447 1065994462 /nfs/dbraw/zinc/99/44/62/1065994462.db2.gz QSEUAWBORXDJAF-UNOMPAQXSA-N 0 0 458.971 4.508 20 0 JJADRN C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C)[C@H](C)S(C)(=O)=O ZINC001440925079 1065994949 /nfs/dbraw/zinc/99/49/49/1065994949.db2.gz STUCXANYYAVULQ-CYJAXWMASA-N 0 0 459.011 4.926 20 0 JJADRN Cc1nc(CN2CCN(C(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)CC2)cs1 ZINC001440939528 1065995730 /nfs/dbraw/zinc/99/57/30/1065995730.db2.gz IZSJOESJLHLODH-UHFFFAOYSA-N 0 0 451.470 4.568 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC001440940814 1065995907 /nfs/dbraw/zinc/99/59/07/1065995907.db2.gz QAWLXWMHWWIPLV-UHFFFAOYSA-N 0 0 458.335 4.716 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360869129 1065996493 /nfs/dbraw/zinc/99/64/93/1065996493.db2.gz FDRMNLCEODHGHH-CFCCAZDESA-N 0 0 493.530 4.844 20 0 JJADRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001440974467 1065998257 /nfs/dbraw/zinc/99/82/57/1065998257.db2.gz YYPKHYQOAGMGIB-YNQASGPTSA-N 0 0 453.391 4.828 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2C[C@H]2CSCCS2)c1C ZINC001360869696 1065998547 /nfs/dbraw/zinc/99/85/47/1065998547.db2.gz QIJURHZTGAIGGM-CTNGQTDRSA-N 0 0 469.680 4.915 20 0 JJADRN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001440977981 1065998718 /nfs/dbraw/zinc/99/87/18/1065998718.db2.gz SQBGHYRTSINRRY-UHFFFAOYSA-N 0 0 455.942 4.507 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001440977750 1065998800 /nfs/dbraw/zinc/99/88/00/1065998800.db2.gz RUMNFPVJPPSMCG-KRWDZBQOSA-N 0 0 456.530 4.825 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)c1C ZINC001360869744 1065999092 /nfs/dbraw/zinc/99/90/92/1065999092.db2.gz QXTKLUWVQBTGNM-FYYLOGMGSA-N 0 0 479.625 4.738 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@@H]3c4ccoc4CCN3C(=O)OC(C)(C)C)ccc2c1 ZINC001441000942 1065999256 /nfs/dbraw/zinc/99/92/56/1065999256.db2.gz DDHYBIVTKCJKRU-QHCPKHFHSA-N 0 0 450.535 4.934 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC2=CCCCC2)c1C ZINC001360869794 1065999719 /nfs/dbraw/zinc/99/97/19/1065999719.db2.gz KCEVUYFNFDDIEV-PZJWPPBQSA-N 0 0 451.615 4.592 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360869852 1065999734 /nfs/dbraw/zinc/99/97/34/1065999734.db2.gz KYFFYXJWICEKAU-MVIJMRCYSA-N 0 0 484.563 4.598 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CCc2ccncc2)c1C ZINC001360869940 1066000254 /nfs/dbraw/zinc/00/02/54/1066000254.db2.gz SKJIHULCIJHZTO-JOCHJYFZSA-N 0 0 463.626 4.926 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cs1 ZINC001441013612 1066000402 /nfs/dbraw/zinc/00/04/02/1066000402.db2.gz LUSAVJABWZJYCY-NRFANRHFSA-N 0 0 451.592 4.811 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)ccc2c1 ZINC001441010880 1066000429 /nfs/dbraw/zinc/00/04/29/1066000429.db2.gz DMIRYHNNDNPSOT-ISKFKSNPSA-N 0 0 450.510 4.556 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3cccs3)C(C)C)n2CCC(=O)N(C)C)c1C ZINC001360870025 1066000734 /nfs/dbraw/zinc/00/07/34/1066000734.db2.gz MAEXHYQEVPQKTP-HXUWFJFHSA-N 0 0 469.655 4.990 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001441017278 1066000841 /nfs/dbraw/zinc/00/08/41/1066000841.db2.gz ISHKWFAWFQALGS-GFCCVEGCSA-N 0 0 458.839 4.804 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001441017304 1066000938 /nfs/dbraw/zinc/00/09/38/1066000938.db2.gz ISHKWFAWFQALGS-LBPRGKRZSA-N 0 0 458.839 4.804 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC001441016407 1066000946 /nfs/dbraw/zinc/00/09/46/1066000946.db2.gz DRVLIBPLQPNYQI-UHFFFAOYSA-N 0 0 458.602 4.993 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)c1C ZINC001360870153 1066001075 /nfs/dbraw/zinc/00/10/75/1066001075.db2.gz VRCBSZFGZTYCFE-ZEQRLZLVSA-N 0 0 497.684 4.690 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360870099 1066001218 /nfs/dbraw/zinc/00/12/18/1066001218.db2.gz UNJTUDAHQNPERH-NFQMXDRXSA-N 0 0 478.641 4.746 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCN3CCOCC3)n2CC(C)(C)c2cccs2)c1C ZINC001360870267 1066001497 /nfs/dbraw/zinc/00/14/97/1066001497.db2.gz WEYJKOAEZCYOHI-JOCHJYFZSA-N 0 0 497.709 4.843 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360870275 1066001905 /nfs/dbraw/zinc/00/19/05/1066001905.db2.gz OBUGFAZGVNPCQQ-FQEVSTJZSA-N 0 0 485.673 4.734 20 0 JJADRN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001441030758 1066002142 /nfs/dbraw/zinc/00/21/42/1066002142.db2.gz SWNXNATZCHFPGM-UHFFFAOYSA-N 0 0 451.320 4.639 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H]2CC2(C)C)c1C ZINC001360870458 1066002425 /nfs/dbraw/zinc/00/24/25/1066002425.db2.gz PPDWFRAWTFOCSB-CEXWTWQISA-N 0 0 493.574 4.586 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c(OC)c1OC ZINC001441039523 1066002609 /nfs/dbraw/zinc/00/26/09/1066002609.db2.gz PUZRYROQHPHPKP-JOCHJYFZSA-N 0 0 457.523 4.782 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC001360870659 1066002806 /nfs/dbraw/zinc/00/28/06/1066002806.db2.gz CXCXJZQCMMSXFL-SNVBAGLBSA-N 0 0 451.759 4.571 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001441043068 1066003005 /nfs/dbraw/zinc/00/30/05/1066003005.db2.gz AMLBRLFCJARIMR-UHFFFAOYSA-N 0 0 454.448 4.885 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CCCC2)cc1 ZINC001441043789 1066003161 /nfs/dbraw/zinc/00/31/61/1066003161.db2.gz LAJOMYSGIOOJOX-UHFFFAOYSA-N 0 0 455.498 4.639 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCCCN1CCc2ccccc21 ZINC001441046575 1066003474 /nfs/dbraw/zinc/00/34/74/1066003474.db2.gz UYBNLWRQDRYNGU-UHFFFAOYSA-N 0 0 459.377 4.935 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001441045246 1066003531 /nfs/dbraw/zinc/00/35/31/1066003531.db2.gz AQZPXHAQWXBIES-BEFAXECRSA-N 0 0 450.366 4.964 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001441046621 1066003565 /nfs/dbraw/zinc/00/35/65/1066003565.db2.gz NWVRAEBCORCFIO-CCEZHUSRSA-N 0 0 458.533 4.793 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)C)c1C ZINC001360871003 1066004219 /nfs/dbraw/zinc/00/42/19/1066004219.db2.gz SJOXTEUPOKIVGW-WIYYLYMNSA-N 0 0 455.647 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H]2NC(=O)CC2(C)C)c1C ZINC001360871013 1066004291 /nfs/dbraw/zinc/00/42/91/1066004291.db2.gz SOWGBJNVQUDMNE-HOQQESESSA-N 0 0 453.631 4.574 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccnn3C)C3CC3)n2CCOC(C)(C)C)c1C ZINC001360871278 1066004610 /nfs/dbraw/zinc/00/46/10/1066004610.db2.gz VVAROIHBOZFORT-FQEVSTJZSA-N 0 0 466.630 4.753 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871080 1066004733 /nfs/dbraw/zinc/00/47/33/1066004733.db2.gz TZMKLFKEMYGNDS-QUCCMNQESA-N 0 0 487.645 4.563 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC001441054935 1066004908 /nfs/dbraw/zinc/00/49/08/1066004908.db2.gz OMBUALKLUJGWBG-JOCHJYFZSA-N 0 0 452.599 4.590 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360871408 1066005064 /nfs/dbraw/zinc/00/50/64/1066005064.db2.gz OVMNYCHPYWFESW-QRQCRPRQSA-N 0 0 456.384 4.667 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccncc2Cl)c1C ZINC001360871499 1066005522 /nfs/dbraw/zinc/00/55/22/1066005522.db2.gz XRTLHUMXLMTYMD-UYAOXDASSA-N 0 0 455.990 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)Nc3ccc(OC4CCCC4)cc3)CCC2)C1 ZINC001441073172 1066005639 /nfs/dbraw/zinc/00/56/39/1066005639.db2.gz JVEXWMIRWACZMX-AREMUKBSSA-N 0 0 458.599 4.879 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)CSc4cc(C)ccc4C)CC3)n2)cc1 ZINC001441087620 1066006663 /nfs/dbraw/zinc/00/66/63/1066006663.db2.gz SRLGCILUCTUPDI-HXUWFJFHSA-N 0 0 450.608 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001441091626 1066006979 /nfs/dbraw/zinc/00/69/79/1066006979.db2.gz ARYHSKDIFNSYGT-FQEVSTJZSA-N 0 0 452.555 4.698 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2(C)CCC2)c1C ZINC001360872889 1066007169 /nfs/dbraw/zinc/00/71/69/1066007169.db2.gz APOQHGIUKCJMOL-NHCUHLMSSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1C ZINC001360872945 1066007571 /nfs/dbraw/zinc/00/75/71/1066007571.db2.gz CWGXALASRXLDJQ-WOJBJXKFSA-N 0 0 469.630 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCc1ccc(Cl)cc1 ZINC001545938364 1066007791 /nfs/dbraw/zinc/00/77/91/1066007791.db2.gz RXUXMFXXDOZSTM-FQEVSTJZSA-N 0 0 464.079 4.670 20 0 JJADRN C[C@H](CO)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl ZINC001441103276 1066007824 /nfs/dbraw/zinc/00/78/24/1066007824.db2.gz SORZNNRRJKMSGG-OAHLLOKOSA-N 0 0 450.922 4.812 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360873022 1066007931 /nfs/dbraw/zinc/00/79/31/1066007931.db2.gz DOGWCFWKCNXGID-VNTMZGSJSA-N 0 0 473.593 4.669 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCc2ccccn2)c1C ZINC001360873069 1066008002 /nfs/dbraw/zinc/00/80/02/1066008002.db2.gz DXHGYPXVJNEJOT-LJQANCHMSA-N 0 0 489.542 4.566 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCc1cc(C)cc(C)c1 ZINC001545938554 1066008454 /nfs/dbraw/zinc/00/84/54/1066008454.db2.gz XXMXUVVKVXNSPJ-JOCHJYFZSA-N 0 0 457.688 4.634 20 0 JJADRN O=C(Cc1csc(C2CC2)n1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441115500 1066008462 /nfs/dbraw/zinc/00/84/62/1066008462.db2.gz ZKWDGGJDHMGSKA-UHFFFAOYSA-N 0 0 456.995 4.817 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cn4ccnn4)CC3)n2CCCC(C)C)c1C ZINC001360873270 1066008335 /nfs/dbraw/zinc/00/83/35/1066008335.db2.gz GDYHGFZGJIZNMV-JOCHJYFZSA-N 0 0 465.646 4.979 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC2CCOCC2)c1C ZINC001360873289 1066008562 /nfs/dbraw/zinc/00/85/62/1066008562.db2.gz GJFHPBBBLORPTA-QFIPXVFZSA-N 0 0 497.684 4.546 20 0 JJADRN CCN(Cc1ccc(OC)cc1OC)C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001441117860 1066008889 /nfs/dbraw/zinc/00/88/89/1066008889.db2.gz MPYIMJBUQOXJQE-UHFFFAOYSA-N 0 0 454.567 4.593 20 0 JJADRN COc1cccc([C@H](C)NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001441119551 1066009139 /nfs/dbraw/zinc/00/91/39/1066009139.db2.gz XFSYOEJPFVWEKP-ZUZCIYMTSA-N 0 0 451.308 4.590 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360873601 1066009635 /nfs/dbraw/zinc/00/96/35/1066009635.db2.gz GTYMARSBVWWEAN-WTOYTKOKSA-N 0 0 494.640 4.535 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@]2(O)CCSC2)c1C ZINC001360873715 1066010264 /nfs/dbraw/zinc/01/02/64/1066010264.db2.gz JVPMBDNXHJTDFC-RQBNJVACSA-N 0 0 458.672 4.775 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 ZINC001441145728 1066010679 /nfs/dbraw/zinc/01/06/79/1066010679.db2.gz FVMRXVDKMNXKNU-FQEVSTJZSA-N 0 0 457.423 4.653 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC(C)(C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360873836 1066010824 /nfs/dbraw/zinc/01/08/24/1066010824.db2.gz IPEZLEGAIPOVNN-NRFANRHFSA-N 0 0 455.647 4.824 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001441156546 1066011115 /nfs/dbraw/zinc/01/11/15/1066011115.db2.gz ZCADKIZTTQMKOW-GIVPXCGWSA-N 0 0 451.007 4.883 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCOC(C)C)c1C ZINC001360873979 1066011321 /nfs/dbraw/zinc/01/13/21/1066011321.db2.gz JAOBZZOQSMDXRJ-OAQYLSRUSA-N 0 0 497.606 4.924 20 0 JJADRN O=C(c1ccc(OC(F)F)cc1F)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001441180326 1066012052 /nfs/dbraw/zinc/01/20/52/1066012052.db2.gz HJGOZTHVWOCRCP-NSHDSACASA-N 0 0 458.362 4.508 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360874197 1066012151 /nfs/dbraw/zinc/01/21/51/1066012151.db2.gz KODDCXFEQCTFTC-FPOVZHCZSA-N 0 0 453.631 4.815 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC2CCCCC2)c1C ZINC001360874220 1066012218 /nfs/dbraw/zinc/01/22/18/1066012218.db2.gz KXOZJFRWSBNGHZ-RBBKRZOGSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCCC(C)(C)C)c1C ZINC001360874207 1066012227 /nfs/dbraw/zinc/01/22/27/1066012227.db2.gz KTIGEIHCOLFKRD-NRSPTQNISA-N 0 0 456.587 4.975 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC001441183481 1066012600 /nfs/dbraw/zinc/01/26/00/1066012600.db2.gz YQPIGEDTTQVOPC-QGZVFWFLSA-N 0 0 456.530 4.519 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cn(-c3cc(C)cc(F)c3)nn2)c1)C(=O)OC(C)(C)C ZINC001441185098 1066012661 /nfs/dbraw/zinc/01/26/61/1066012661.db2.gz FXVRSVBWXROAHA-UHFFFAOYSA-N 0 0 453.518 4.724 20 0 JJADRN CN(Cc1cccc(NC(=O)c2n[nH]c3ccc(Br)cc32)c1)C(=O)OC(C)(C)C ZINC001441187622 1066013033 /nfs/dbraw/zinc/01/30/33/1066013033.db2.gz OACCQLXNILJNOI-UHFFFAOYSA-N 0 0 459.344 4.945 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1C ZINC001360874428 1066013435 /nfs/dbraw/zinc/01/34/35/1066013435.db2.gz MUKFPFNDTAUIPM-RBUKOAKNSA-N 0 0 451.537 4.519 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1C ZINC001360874424 1066013540 /nfs/dbraw/zinc/01/35/40/1066013540.db2.gz MUKFPFNDTAUIPM-MOPGFXCFSA-N 0 0 451.537 4.519 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)c1)C(=O)OC(C)(C)C ZINC001441188923 1066013477 /nfs/dbraw/zinc/01/34/77/1066013477.db2.gz RJYWHWVBXLPGIS-MRXNPFEDSA-N 0 0 452.555 4.839 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)c1)C(=O)OC(C)(C)C ZINC001441188921 1066013603 /nfs/dbraw/zinc/01/36/03/1066013603.db2.gz RJYWHWVBXLPGIS-INIZCTEOSA-N 0 0 452.555 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCOc2ncccc2F)c1C ZINC001360874442 1066013833 /nfs/dbraw/zinc/01/38/33/1066013833.db2.gz MWFNVVISDMWOJN-PXNSSMCTSA-N 0 0 453.562 4.884 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC(C)(C)C3)n2CCN2CCOC(C)(C)C2)c1C ZINC001360874599 1066014481 /nfs/dbraw/zinc/01/44/81/1066014481.db2.gz NMFLRUIPPYMTAF-JOCHJYFZSA-N 0 0 469.674 4.772 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2CCCn2cccn2)c1C ZINC001360874648 1066014587 /nfs/dbraw/zinc/01/45/87/1066014587.db2.gz SKOPQQNHXJNVBS-QFIPXVFZSA-N 0 0 466.630 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC001441204494 1066015235 /nfs/dbraw/zinc/01/52/35/1066015235.db2.gz NEJKPHQQGFQCRZ-OZDMPAMKSA-N 0 0 458.443 4.659 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)c(O)c2)c1 ZINC001441214708 1066015497 /nfs/dbraw/zinc/01/54/97/1066015497.db2.gz GFNDPAPSYDEOIF-VXKWHMMOSA-N 0 0 454.567 4.996 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCN(C)CC(F)(F)F)c1C ZINC001360874978 1066015933 /nfs/dbraw/zinc/01/59/33/1066015933.db2.gz VSGFKVGSELRPEP-QXAKKESOSA-N 0 0 453.553 4.764 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360875160 1066016333 /nfs/dbraw/zinc/01/63/33/1066016333.db2.gz XGOUDGPKYWRPIU-FNZWTVRRSA-N 0 0 456.631 4.590 20 0 JJADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001441223861 1066016401 /nfs/dbraw/zinc/01/64/01/1066016401.db2.gz MJVUDEWTOGDRNI-UXHICEINSA-N 0 0 458.580 4.551 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H]2CCCO2)c1C ZINC001360875099 1066016454 /nfs/dbraw/zinc/01/64/54/1066016454.db2.gz QCWYEEOZPLTEMI-FSSWDIPSSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2CCCO[C@@H]2CCOC2)c1C ZINC001360875116 1066016797 /nfs/dbraw/zinc/01/67/97/1066016797.db2.gz QLVIIALLWJVCHQ-DNVJHFABSA-N 0 0 456.631 4.855 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@]1(C)CCCS1 ZINC001545939490 1066016819 /nfs/dbraw/zinc/01/68/19/1066016819.db2.gz CIFOHOXSZZXXTM-NRFANRHFSA-N 0 0 453.722 4.594 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC001441229783 1066016850 /nfs/dbraw/zinc/01/68/50/1066016850.db2.gz QVRYCZNLEGUPOZ-CYFREDJKSA-N 0 0 457.014 4.701 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@]1(C)CCCS1 ZINC001545939491 1066016891 /nfs/dbraw/zinc/01/68/91/1066016891.db2.gz CIFOHOXSZZXXTM-OAQYLSRUSA-N 0 0 453.722 4.594 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CCCSC2)c1C ZINC001360875219 1066017262 /nfs/dbraw/zinc/01/72/62/1066017262.db2.gz XSXPBIHZOJLSFN-GGAORHGYSA-N 0 0 499.725 4.873 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001545939514 1066017370 /nfs/dbraw/zinc/01/73/70/1066017370.db2.gz CYWNPPFDBJEIFZ-LJQANCHMSA-N 0 0 499.603 4.670 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360875389 1066017733 /nfs/dbraw/zinc/01/77/33/1066017733.db2.gz YXBLFKLCENZNBL-JSXRDJHFSA-N 0 0 487.620 4.916 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1C ZINC001360875433 1066017885 /nfs/dbraw/zinc/01/78/85/1066017885.db2.gz ZSHMENHAIJJSTG-NTXZXBMLSA-N 0 0 497.684 4.578 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CCCOC[C@H]2CCOC2)c1C ZINC001360875542 1066018165 /nfs/dbraw/zinc/01/81/65/1066018165.db2.gz VGDQRZRQAZHTKV-FCHUYYIVSA-N 0 0 456.631 4.857 20 0 JJADRN O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001441240666 1066018426 /nfs/dbraw/zinc/01/84/26/1066018426.db2.gz NHJAQNNGFJLKLF-XZOQPEGZSA-N 0 0 479.017 4.722 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)ccc1OC(C)C ZINC001441240876 1066018601 /nfs/dbraw/zinc/01/86/01/1066018601.db2.gz JNIKJWGTWYEVDR-CYBMUJFWSA-N 0 0 459.340 4.990 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCCOC(C)C)c1C ZINC001360875569 1066018615 /nfs/dbraw/zinc/01/86/15/1066018615.db2.gz VQPFVQHVAIQUOZ-BKMJKUGQSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360875576 1066018682 /nfs/dbraw/zinc/01/86/82/1066018682.db2.gz VUCLCMNRDVKZFM-AZUAARDMSA-N 0 0 467.614 4.984 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545939649 1066018717 /nfs/dbraw/zinc/01/87/17/1066018717.db2.gz HKVPLOZXHBOPEE-AUSIDOKSSA-N 0 0 465.708 4.656 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C3CCC3)n2CCCC(=O)N(C)C)c1C ZINC001360875747 1066019018 /nfs/dbraw/zinc/01/90/18/1066019018.db2.gz YFJNREHDUHFJLK-IRLDBZIGSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCC(=O)N(C)C)c1C ZINC001360875692 1066019100 /nfs/dbraw/zinc/01/91/00/1066019100.db2.gz XIROQNTXXROVTK-CUNXSJBXSA-N 0 0 465.642 4.840 20 0 JJADRN COc1ccc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C ZINC001441240981 1066019222 /nfs/dbraw/zinc/01/92/22/1066019222.db2.gz KDLULZVGYIXYCY-QGZVFWFLSA-N 0 0 454.445 4.603 20 0 JJADRN C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246042 1066019571 /nfs/dbraw/zinc/01/95/71/1066019571.db2.gz HTMGHNVRMUFXOK-MZNJEOGPSA-N 0 0 456.558 4.502 20 0 JJADRN CC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nc(C(F)(F)F)cs1 ZINC001360875931 1066019940 /nfs/dbraw/zinc/01/99/40/1066019940.db2.gz BSKIZMNAGJNVHF-LBPRGKRZSA-N 0 0 459.291 4.991 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001360875899 1066020098 /nfs/dbraw/zinc/02/00/98/1066020098.db2.gz AYPBFLBECBGOFL-DOMZBBRYSA-N 0 0 459.490 4.857 20 0 JJADRN Cc1c(C(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)nnn1-c1ccc2ncccc2c1 ZINC001360876430 1066020641 /nfs/dbraw/zinc/02/06/41/1066020641.db2.gz QVGZNZADOIRLFY-UHFFFAOYSA-N 0 0 453.468 4.680 20 0 JJADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441251061 1066020856 /nfs/dbraw/zinc/02/08/56/1066020856.db2.gz BEKRHFNWDVXEIH-CQSZACIVSA-N 0 0 456.917 4.824 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC001360876745 1066021003 /nfs/dbraw/zinc/02/10/03/1066021003.db2.gz AOWBQJGOLCAYLY-MTQWCTHYSA-N 0 0 493.574 4.995 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC2(C)CCC2)c1C ZINC001360876803 1066021094 /nfs/dbraw/zinc/02/10/94/1066021094.db2.gz BOQZHWHJJFMJOQ-FCHUYYIVSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876851 1066021585 /nfs/dbraw/zinc/02/15/85/1066021585.db2.gz CBTQLMAGDWORLN-LEWJYISDSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CCOC(C)C)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360877085 1066022129 /nfs/dbraw/zinc/02/21/29/1066022129.db2.gz HPRSTWJTPKXYEZ-NRFANRHFSA-N 0 0 491.627 4.627 20 0 JJADRN COc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)cc1OCc1cccnc1 ZINC001441278802 1066022319 /nfs/dbraw/zinc/02/23/19/1066022319.db2.gz NHYIJRBNZGWGJX-UHFFFAOYSA-N 0 0 453.495 4.539 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCC(=O)NC(C)(C)C)c1C ZINC001360877117 1066022446 /nfs/dbraw/zinc/02/24/46/1066022446.db2.gz IBNYAPWNNDMCKR-HBMCJLEFSA-N 0 0 453.631 4.719 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)/C(C)=C\c3ccc(Cl)cc3)cc2)CC1 ZINC001360877214 1066022591 /nfs/dbraw/zinc/02/25/91/1066022591.db2.gz AIYVFMNRABTROZ-MSUUIHNZSA-N 0 0 454.954 4.797 20 0 JJADRN CC(C)N(CCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)C(=O)OC(C)(C)C ZINC001441289266 1066022770 /nfs/dbraw/zinc/02/27/70/1066022770.db2.gz LRSUFNXUASGFBR-LJQANCHMSA-N 0 0 456.002 4.768 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC2CCOCC2)c1C ZINC001360877406 1066023127 /nfs/dbraw/zinc/02/31/27/1066023127.db2.gz LADJZZCDDUVGGB-UYAOXDASSA-N 0 0 495.590 4.534 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360877650 1066023607 /nfs/dbraw/zinc/02/36/07/1066023607.db2.gz NDPNCGJLQJJOQK-NVXWUHKLSA-N 0 0 458.550 4.903 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)c2nccs2)c1C ZINC001360877442 1066023633 /nfs/dbraw/zinc/02/36/33/1066023633.db2.gz LMJQZXZJCOPEAA-FPOVZHCZSA-N 0 0 496.681 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@@H]2CCO[C@H](C)C2)c1C ZINC001360877494 1066023639 /nfs/dbraw/zinc/02/36/39/1066023639.db2.gz MCEQKQSQOBEDII-CEMLEFRQSA-N 0 0 491.627 4.627 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[C@@H]2CCCCO2)c1C ZINC001360877666 1066023935 /nfs/dbraw/zinc/02/39/35/1066023935.db2.gz NMRPNCCUWBVADP-RTWAWAEBSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360877820 1066023947 /nfs/dbraw/zinc/02/39/47/1066023947.db2.gz ODBXMAPQYKSYGV-RWEOTHCUSA-N 0 0 458.672 4.961 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4=NCC(C)(C)S4)CC3)n2CC(C)C)c1C ZINC001360877827 1066024044 /nfs/dbraw/zinc/02/40/44/1066024044.db2.gz OHOFHOBTOCZZEA-FQEVSTJZSA-N 0 0 470.687 4.694 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@H]1CCSC1(C)C ZINC001545940030 1066024184 /nfs/dbraw/zinc/02/41/84/1066024184.db2.gz QFLLDQARCMADKF-KRWDZBQOSA-N 0 0 467.749 4.840 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2CCO[C@@H](C)C2)c1C ZINC001360878038 1066024899 /nfs/dbraw/zinc/02/48/99/1066024899.db2.gz QIYCBVVSCZTWPV-XGAJZPNHSA-N 0 0 497.684 4.543 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](OC)[C@@H](C)CC ZINC001545940079 1066025011 /nfs/dbraw/zinc/02/50/11/1066025011.db2.gz RIJVOYHWERMSQT-AZUAARDMSA-N 0 0 465.708 4.514 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CC(C)C)c1C ZINC001360878297 1066025358 /nfs/dbraw/zinc/02/53/58/1066025358.db2.gz UENOHPDNFAUPOG-KRWDZBQOSA-N 0 0 462.520 4.926 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CCC=CO2)c1C ZINC001360878290 1066025455 /nfs/dbraw/zinc/02/54/55/1066025455.db2.gz UCGOTGSRWAVZEM-GOTSBHOMSA-N 0 0 497.640 4.642 20 0 JJADRN C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313022 1066025598 /nfs/dbraw/zinc/02/55/98/1066025598.db2.gz CCNXNCWGFDKJQO-HNAYVOBHSA-N 0 0 453.986 4.520 20 0 JJADRN O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC001441316857 1066025927 /nfs/dbraw/zinc/02/59/27/1066025927.db2.gz WTWJJVUHKRXEHR-UHFFFAOYSA-N 0 0 451.473 4.630 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878490 1066026020 /nfs/dbraw/zinc/02/60/20/1066026020.db2.gz VSXXTVOKBLARQP-NHCUHLMSSA-N 0 0 483.682 4.751 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2(CC(C)C)CC2)c1C ZINC001360878435 1066026072 /nfs/dbraw/zinc/02/60/72/1066026072.db2.gz VFIZGOFLARWWBX-RTWAWAEBSA-N 0 0 453.631 4.563 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001441318268 1066026834 /nfs/dbraw/zinc/02/68/34/1066026834.db2.gz KCZHXDQQNGVTTQ-GHTZIAJQSA-N 0 0 450.888 4.842 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2([S@@](C)=O)CCC2)c1C ZINC001360878783 1066026870 /nfs/dbraw/zinc/02/68/70/1066026870.db2.gz ACWAPDJMEAJUEY-KJQYSAOYSA-N 0 0 488.698 4.587 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCOC(C)C)c1C ZINC001360878766 1066027103 /nfs/dbraw/zinc/02/71/03/1066027103.db2.gz ZUSHMZDPJGYCEJ-WOJBJXKFSA-N 0 0 483.579 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cccc(COCc3ccco3)c2)CC[C@H]1C1CC1 ZINC001441320062 1066027231 /nfs/dbraw/zinc/02/72/31/1066027231.db2.gz ZURKNXITDYXESG-GOTSBHOMSA-N 0 0 454.567 4.791 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([S@](C)=O)CCC2)c1C ZINC001360878784 1066027276 /nfs/dbraw/zinc/02/72/76/1066027276.db2.gz ACWAPDJMEAJUEY-OAPSRICNSA-N 0 0 488.698 4.587 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2([S@](C)=O)CCC2)c1C ZINC001360878785 1066027297 /nfs/dbraw/zinc/02/72/97/1066027297.db2.gz ACWAPDJMEAJUEY-SULRNWAHSA-N 0 0 488.698 4.587 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)C3)n2CCCOCC(F)F)c1C ZINC001360878849 1066027307 /nfs/dbraw/zinc/02/73/07/1066027307.db2.gz BJJLJRUFMGXIDP-SJLPKXTDSA-N 0 0 454.587 4.648 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCCn1ccc2ccccc21 ZINC001545940250 1066027983 /nfs/dbraw/zinc/02/79/83/1066027983.db2.gz VKVSUBNUHHQGJK-MOPGFXCFSA-N 0 0 468.671 4.572 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360879050 1066028210 /nfs/dbraw/zinc/02/82/10/1066028210.db2.gz FHFVIOAYTNDIDG-DFBJGRDBSA-N 0 0 470.639 4.867 20 0 JJADRN CCCCn1ncc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@@H]2C)c1C ZINC001441323442 1066028283 /nfs/dbraw/zinc/02/82/83/1066028283.db2.gz NMWFNFHDLRVIBX-CALCHBBNSA-N 0 0 456.587 4.664 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCCN2CCCCC2=O)c1C ZINC001360879166 1066029394 /nfs/dbraw/zinc/02/93/94/1066029394.db2.gz HJWXTJCMZAWCFF-BHDDXSALSA-N 0 0 485.698 4.768 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CCCC2(C)C)c1C ZINC001360879178 1066029418 /nfs/dbraw/zinc/02/94/18/1066029418.db2.gz HPFFGCGSNSMTEP-FPGHNAPASA-N 0 0 496.574 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC(C)(C)C(C)C)c1C ZINC001360879151 1066029507 /nfs/dbraw/zinc/02/95/07/1066029507.db2.gz HAIDQQHVONRUCS-BHIFYINESA-N 0 0 467.658 4.774 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1OC ZINC001441334326 1066029962 /nfs/dbraw/zinc/02/99/62/1066029962.db2.gz FAFLLFDXPBJDME-MIZPHKNDSA-N 0 0 460.615 4.726 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1C ZINC001360879865 1066031576 /nfs/dbraw/zinc/03/15/76/1066031576.db2.gz RFCIUEHYUGDVAZ-DOTOQJQBSA-N 0 0 462.463 4.848 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC2(O)CCCCCC2)c1C ZINC001360880216 1066032753 /nfs/dbraw/zinc/03/27/53/1066032753.db2.gz XUXIMWBTAHSNMD-LADGPHEKSA-N 0 0 470.658 4.981 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC001360880385 1066033212 /nfs/dbraw/zinc/03/32/12/1066033212.db2.gz AKTMHPUXBLMPJX-JWQCQUIFSA-N 0 0 456.652 4.753 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC001360880384 1066033250 /nfs/dbraw/zinc/03/32/50/1066033250.db2.gz AKTMHPUXBLMPJX-DQEYMECFSA-N 0 0 456.652 4.753 20 0 JJADRN CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)cc2)CC1 ZINC001441356858 1066033300 /nfs/dbraw/zinc/03/33/00/1066033300.db2.gz DSNHDIJCWYRRKK-UHFFFAOYSA-N 0 0 459.590 4.562 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)cn1 ZINC001441358230 1066033489 /nfs/dbraw/zinc/03/34/89/1066033489.db2.gz JIHBCLGDOILYNW-NRFANRHFSA-N 0 0 450.516 4.851 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CNC(=O)c4cccs4)nnc3N(C)CC(C)C)cc2c1C ZINC001360880703 1066033737 /nfs/dbraw/zinc/03/37/37/1066033737.db2.gz BAZRNOLYDNUEQI-UHFFFAOYSA-N 0 0 450.612 4.508 20 0 JJADRN O=C(C[C@H]1OCc2cc(Cl)ccc21)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441358249 1066033614 /nfs/dbraw/zinc/03/36/14/1066033614.db2.gz JJIPJCLDJYZNRC-LJQANCHMSA-N 0 0 453.753 4.593 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC(=O)NC(C)C)c1C ZINC001360881224 1066034181 /nfs/dbraw/zinc/03/41/81/1066034181.db2.gz IIKWSZXFKUDABG-BHIYHBOVSA-N 0 0 481.563 4.584 20 0 JJADRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001441364816 1066035010 /nfs/dbraw/zinc/03/50/10/1066035010.db2.gz MMACDHQOWWEASH-UHFFFAOYSA-N 0 0 452.555 4.530 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)n1 ZINC001441368724 1066035533 /nfs/dbraw/zinc/03/55/33/1066035533.db2.gz FTCLPAYISRUJDN-QFIPXVFZSA-N 0 0 456.631 4.723 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC001441370339 1066035922 /nfs/dbraw/zinc/03/59/22/1066035922.db2.gz ZGPZEZNNYLXKFX-OAQYLSRUSA-N 0 0 451.596 4.562 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001360882898 1066036023 /nfs/dbraw/zinc/03/60/23/1066036023.db2.gz CSRUOOZXDSMFKO-DEOSSOPVSA-N 0 0 484.442 4.890 20 0 JJADRN C[C@@H](NC(=O)CCN1c2ccccc2CCC1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441369347 1066036082 /nfs/dbraw/zinc/03/60/82/1066036082.db2.gz VTTDUKCQZOCGLU-LJQANCHMSA-N 0 0 456.546 4.877 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC001441373746 1066036284 /nfs/dbraw/zinc/03/62/84/1066036284.db2.gz SEOXBGQKAOCYLB-UHFFFAOYSA-N 0 0 454.376 4.729 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCO[C@H]2CCOC2)c1C ZINC001360883107 1066036561 /nfs/dbraw/zinc/03/65/61/1066036561.db2.gz JVQKLMKKMIVPEE-PKTZIBPZSA-N 0 0 454.615 4.777 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001441390504 1066036880 /nfs/dbraw/zinc/03/68/80/1066036880.db2.gz OIAPEUMRYDPEME-UHFFFAOYSA-N 0 0 458.362 4.605 20 0 JJADRN CCn1c(Br)ncc1C(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441398292 1066037304 /nfs/dbraw/zinc/03/73/04/1066037304.db2.gz NMCBWNUTYXYOAR-AWEZNQCLSA-N 0 0 456.344 4.801 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN1CCOC[C@H]1C ZINC001360883479 1066037412 /nfs/dbraw/zinc/03/74/12/1066037412.db2.gz SZCKSWKCVQDORO-FGZHOGPDSA-N 0 0 488.076 4.956 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC001441404198 1066038253 /nfs/dbraw/zinc/03/82/53/1066038253.db2.gz IUIXJJFCXOZATP-XQBPLPMBSA-N 0 0 453.583 4.731 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)c2)cc1 ZINC001441406746 1066038455 /nfs/dbraw/zinc/03/84/55/1066038455.db2.gz PCTBKQLGNYWTFD-UHFFFAOYSA-N 0 0 459.527 4.810 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1csc(NC2CCCCC2)n1 ZINC001441406522 1066038485 /nfs/dbraw/zinc/03/84/85/1066038485.db2.gz NALXBWIIWKTJSR-UHFFFAOYSA-N 0 0 456.593 4.941 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360884920 1066039193 /nfs/dbraw/zinc/03/91/93/1066039193.db2.gz LVKZKABNRMLNIK-FOIQADDNSA-N 0 0 451.434 4.867 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360884921 1066039488 /nfs/dbraw/zinc/03/94/88/1066039488.db2.gz LVKZKABNRMLNIK-MGPUTAFESA-N 0 0 451.434 4.867 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cscc2Br)c1 ZINC001360885335 1066040324 /nfs/dbraw/zinc/04/03/24/1066040324.db2.gz CQQOAAYZIZHTLA-UHFFFAOYSA-N 0 0 457.415 4.716 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ccc(COCc3ccccc3)cc2)o1 ZINC001441425423 1066040391 /nfs/dbraw/zinc/04/03/91/1066040391.db2.gz QVJGCIRNPOTTLS-UHFFFAOYSA-N 0 0 450.535 4.951 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360885945 1066040461 /nfs/dbraw/zinc/04/04/61/1066040461.db2.gz CTXISTXQLDCESL-UHFFFAOYSA-N 0 0 467.415 4.763 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360885193 1066040487 /nfs/dbraw/zinc/04/04/87/1066040487.db2.gz WZHKITKNPHBMNZ-UHFFFAOYSA-N 0 0 469.586 4.524 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccnc3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001360886300 1066040682 /nfs/dbraw/zinc/04/06/82/1066040682.db2.gz QSLKXQFBANAQLT-UHFFFAOYSA-N 0 0 457.504 4.803 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1)c1ccccc1 ZINC001360886904 1066040808 /nfs/dbraw/zinc/04/08/08/1066040808.db2.gz ITOIAOXCNWFOGK-IAGOWNOFSA-N 0 0 458.530 4.538 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC001441427880 1066040843 /nfs/dbraw/zinc/04/08/43/1066040843.db2.gz ZJRUYVQVJDOKSZ-UHFFFAOYSA-N 0 0 451.281 4.730 20 0 JJADRN NC(=O)c1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)nn1-c1ccccc1 ZINC001360887018 1066041075 /nfs/dbraw/zinc/04/10/75/1066041075.db2.gz MINNZADVINTJQL-UHFFFAOYSA-N 0 0 456.468 4.579 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001545941830 1066041616 /nfs/dbraw/zinc/04/16/16/1066041616.db2.gz BEXZVDJKDMZKGE-CPNJWEJPSA-N 0 0 454.395 4.636 20 0 JJADRN Cc1noc(C)c1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360888078 1066041579 /nfs/dbraw/zinc/04/15/79/1066041579.db2.gz OFQQNXIIKKJUMZ-OAQYLSRUSA-N 0 0 484.645 4.787 20 0 JJADRN COC[C@@]1(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360888548 1066041862 /nfs/dbraw/zinc/04/18/62/1066041862.db2.gz AULKYZOSULEOGQ-AREMUKBSSA-N 0 0 454.567 4.786 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC001360888927 1066041885 /nfs/dbraw/zinc/04/18/85/1066041885.db2.gz NDCXFQJMOSXSNE-HNNXBMFYSA-N 0 0 457.423 4.834 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3c(F)cccc3F)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360889801 1066042743 /nfs/dbraw/zinc/04/27/43/1066042743.db2.gz SRJJRKUAYFCIED-UHFFFAOYSA-N 0 0 475.584 4.951 20 0 JJADRN Cc1ccccc1OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(C)C1 ZINC001360891649 1066042972 /nfs/dbraw/zinc/04/29/72/1066042972.db2.gz AWLCVRUQAQGUJY-UHFFFAOYSA-N 0 0 465.623 4.594 20 0 JJADRN C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1F ZINC001360890546 1066043109 /nfs/dbraw/zinc/04/31/09/1066043109.db2.gz LUEQSUFSAYMBLQ-CQSZACIVSA-N 0 0 454.439 4.756 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1 ZINC001441462388 1066043162 /nfs/dbraw/zinc/04/31/62/1066043162.db2.gz GDITVTFORJIUSV-OAHLLOKOSA-N 0 0 458.990 4.718 20 0 JJADRN O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001441462022 1066043181 /nfs/dbraw/zinc/04/31/81/1066043181.db2.gz SXNLUGJWYQRIAC-IBGZPJMESA-N 0 0 456.315 4.770 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001360891720 1066043180 /nfs/dbraw/zinc/04/31/80/1066043180.db2.gz CZMWKAYGCFZWIP-QHCPKHFHSA-N 0 0 468.049 4.643 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1coc(CO)c1 ZINC001441466082 1066043444 /nfs/dbraw/zinc/04/34/44/1066043444.db2.gz MGTUWOGZDCCVNS-LJQANCHMSA-N 0 0 451.375 4.670 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360892078 1066043523 /nfs/dbraw/zinc/04/35/23/1066043523.db2.gz KDZRYKMBFCKONC-UHFFFAOYSA-N 0 0 456.015 4.712 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(C)C3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001360892187 1066044015 /nfs/dbraw/zinc/04/40/15/1066044015.db2.gz ONCWMBHBODMCFO-UHFFFAOYSA-N 0 0 453.660 4.683 20 0 JJADRN Nc1ccc(Br)cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001441474188 1066044460 /nfs/dbraw/zinc/04/44/60/1066044460.db2.gz PSXPUAFWERJAPJ-HXUWFJFHSA-N 0 0 456.409 4.622 20 0 JJADRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC001441475014 1066044536 /nfs/dbraw/zinc/04/45/36/1066044536.db2.gz ZBEABCJGSIFFHO-FQEVSTJZSA-N 0 0 452.599 4.863 20 0 JJADRN CNc1nc(C)ccc1C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001441474596 1066044634 /nfs/dbraw/zinc/04/46/34/1066044634.db2.gz QMQZUBVFXVPNOR-OAQYLSRUSA-N 0 0 452.649 4.745 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360892676 1066044931 /nfs/dbraw/zinc/04/49/31/1066044931.db2.gz IGUFYYWBDQXFMK-SZPZYZBQSA-N 0 0 481.641 4.983 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)COCCO2)CC1 ZINC001360892836 1066045186 /nfs/dbraw/zinc/04/51/86/1066045186.db2.gz OHCCPRUEWCDJNL-QFIPXVFZSA-N 0 0 467.397 4.516 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC(C)(C)Cc3oc(C)cc31)C2=O ZINC001441479222 1066045608 /nfs/dbraw/zinc/04/56/08/1066045608.db2.gz FLCXDGJVRUPSJZ-SWOYDCGHSA-N 0 0 457.615 4.635 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cn1 ZINC001441479400 1066045648 /nfs/dbraw/zinc/04/56/48/1066045648.db2.gz GHGVJOKDELCYKC-UHFFFAOYSA-N 0 0 452.580 4.598 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCC(=O)NC(C)C)C2)sc1C ZINC001360893908 1066046140 /nfs/dbraw/zinc/04/61/40/1066046140.db2.gz ACRDKLYUAGCUBR-LJQANCHMSA-N 0 0 487.073 4.971 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)nc3)C2)sc1C ZINC001360894125 1066046503 /nfs/dbraw/zinc/04/65/03/1066046503.db2.gz IDPWHQDBEOMAPH-LJQANCHMSA-N 0 0 453.660 4.542 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cccn4C)n3CCCCOC(C)C)C2)sc1C ZINC001360894014 1066046611 /nfs/dbraw/zinc/04/66/11/1066046611.db2.gz DKNVAFUPICWHOO-FQEVSTJZSA-N 0 0 456.660 4.946 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)cs2)c1 ZINC001441497476 1066046930 /nfs/dbraw/zinc/04/69/30/1066046930.db2.gz PMJPHNPOPTZJPQ-OAQYLSRUSA-N 0 0 455.555 4.995 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)Nc4ccccn4)n3CCSC(C)C)C2)sc1C ZINC001360894388 1066046936 /nfs/dbraw/zinc/04/69/36/1066046936.db2.gz OXXKQBLZALBMTJ-GOSISDBHSA-N 0 0 485.683 4.524 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360894788 1066047172 /nfs/dbraw/zinc/04/71/72/1066047172.db2.gz UVTIPQOOIQLBOE-CRAIPNDOSA-N 0 0 485.658 4.644 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCc1cccc(C(=O)NCc3ccc(C)cc3)c1)c(C)n2C ZINC001441523653 1066047755 /nfs/dbraw/zinc/04/77/55/1066047755.db2.gz RRWGEASSZPTRJD-UHFFFAOYSA-N 0 0 455.558 4.664 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)c3cccc4nccnc43)cc2)cc1 ZINC001441516146 1066047924 /nfs/dbraw/zinc/04/79/24/1066047924.db2.gz ANYMBNUVTJIEER-UHFFFAOYSA-N 0 0 454.530 4.666 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)NCc1cccc(OCc2ccccn2)c1 ZINC001441518868 1066048018 /nfs/dbraw/zinc/04/80/18/1066048018.db2.gz IZUHSUAPMXCDRZ-UHFFFAOYSA-N 0 0 453.511 4.896 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001545942662 1066048499 /nfs/dbraw/zinc/04/84/99/1066048499.db2.gz CBPYRBMXSMVURB-KYTVRQNUSA-N 0 0 453.631 4.741 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001441535880 1066048682 /nfs/dbraw/zinc/04/86/82/1066048682.db2.gz KODXCTYCBNWJMR-DLBZAZTESA-N 0 0 457.434 4.752 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)NCC(C)(C)c3ccc(Br)cc3)c2)n1 ZINC001441532142 1066048771 /nfs/dbraw/zinc/04/87/71/1066048771.db2.gz AWKJPHBIWAQXJG-UHFFFAOYSA-N 0 0 453.384 4.867 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC001441534237 1066048932 /nfs/dbraw/zinc/04/89/32/1066048932.db2.gz VGBNYKTXIIHMFO-HXOBKFHXSA-N 0 0 459.011 4.544 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)sc1C ZINC001360895891 1066049024 /nfs/dbraw/zinc/04/90/24/1066049024.db2.gz OQDHQQHBXNTOQB-UHFFFAOYSA-N 0 0 459.063 4.693 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC(F)(F)CO3)C2)sc1C ZINC001360896012 1066049361 /nfs/dbraw/zinc/04/93/61/1066049361.db2.gz QZMBCKHOTXZCGM-SJORKVTESA-N 0 0 453.603 4.748 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCc1ccc(Cl)c(OC)c1 ZINC001545942786 1066050207 /nfs/dbraw/zinc/05/02/07/1066050207.db2.gz HJORVPIINSJOBN-CJAUYULYSA-N 0 0 474.049 4.870 20 0 JJADRN Cc1nc(CCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)sc1C ZINC001360897329 1066050291 /nfs/dbraw/zinc/05/02/91/1066050291.db2.gz BRSPJRDDDMAJFP-UHFFFAOYSA-N 0 0 462.501 4.915 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H](OC)C(C)C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC001360896678 1066050360 /nfs/dbraw/zinc/05/03/60/1066050360.db2.gz MGEAAFORTHBVRE-XMMPIXPASA-N 0 0 458.562 4.805 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC001441550321 1066050348 /nfs/dbraw/zinc/05/03/48/1066050348.db2.gz VAFPKJMKRICBJO-NRFANRHFSA-N 0 0 454.983 4.844 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c2ccccc2Cl)cc1 ZINC001360897647 1066050718 /nfs/dbraw/zinc/05/07/18/1066050718.db2.gz MVCJVXHNKPCCPV-XMMPIXPASA-N 0 0 455.938 4.823 20 0 JJADRN Cc1nc(CCn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)sc1C ZINC001360898245 1066050962 /nfs/dbraw/zinc/05/09/62/1066050962.db2.gz PBVNGLGYXJUKQE-UHFFFAOYSA-N 0 0 474.581 4.605 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)sc1C ZINC001360898538 1066051360 /nfs/dbraw/zinc/05/13/60/1066051360.db2.gz VDAKTHSWCNRWFC-HNNXBMFYSA-N 0 0 496.500 4.949 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)sc1C ZINC001360898760 1066051373 /nfs/dbraw/zinc/05/13/73/1066051373.db2.gz CBESWBAYLYXOEJ-QFIPXVFZSA-N 0 0 485.620 4.857 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)/C(C)=C\c3ccc(F)cc3)cc2)cc1 ZINC001441569073 1066051575 /nfs/dbraw/zinc/05/15/75/1066051575.db2.gz LNJZAJTYYUZXFB-ICFOKQHNSA-N 0 0 454.523 4.818 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001441599270 1066052381 /nfs/dbraw/zinc/05/23/81/1066052381.db2.gz LBLOOEGLUFATCH-IBGZPJMESA-N 0 0 452.473 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001545943009 1066052493 /nfs/dbraw/zinc/05/24/93/1066052493.db2.gz OUQNWNBXXKIAPG-HXOBKFHXSA-N 0 0 479.547 4.912 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)cc1 ZINC001441592766 1066052621 /nfs/dbraw/zinc/05/26/21/1066052621.db2.gz PPKLHUCVOQERLL-UHFFFAOYSA-N 0 0 458.514 4.605 20 0 JJADRN COc1cc(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1NC(=O)OC(C)(C)C ZINC001441600081 1066052970 /nfs/dbraw/zinc/05/29/70/1066052970.db2.gz HFDBHXCMWQHSMT-UHFFFAOYSA-N 0 0 451.564 4.922 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3(c4ccc(F)cc4)CC3)c2)c1 ZINC001441606069 1066052997 /nfs/dbraw/zinc/05/29/97/1066052997.db2.gz SCGOLWUQQMDJCI-UHFFFAOYSA-N 0 0 452.551 4.705 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360899877 1066053162 /nfs/dbraw/zinc/05/31/62/1066053162.db2.gz UMBGRIPNORDERV-CLOONOSVSA-N 0 0 469.655 4.832 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccn(CCc3ccccc3)n2)CC1 ZINC001441610019 1066053250 /nfs/dbraw/zinc/05/32/50/1066053250.db2.gz DRIBYCICTOGIDQ-VWLOTQADSA-N 0 0 459.590 4.715 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001441608979 1066053431 /nfs/dbraw/zinc/05/34/31/1066053431.db2.gz CIJCDXWBDNADAA-LJQANCHMSA-N 0 0 450.366 4.836 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360899894 1066053455 /nfs/dbraw/zinc/05/34/55/1066053455.db2.gz USFRLWVVHXQXTM-SFHVURJKSA-N 0 0 476.691 4.534 20 0 JJADRN Cc1nc(CCn2c(N3CC[C@@H](C(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360899901 1066053500 /nfs/dbraw/zinc/05/35/00/1066053500.db2.gz UYOYTRVCIWRDBH-NTKDMRAZSA-N 0 0 461.676 4.507 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360900188 1066053725 /nfs/dbraw/zinc/05/37/25/1066053725.db2.gz ZTEAUGLPUFBDHJ-OAHLLOKOSA-N 0 0 451.361 4.894 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360900114 1066053741 /nfs/dbraw/zinc/05/37/41/1066053741.db2.gz YUHWYLGREFYNBW-IBGZPJMESA-N 0 0 490.718 4.924 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)sc1C ZINC001360900301 1066053819 /nfs/dbraw/zinc/05/38/19/1066053819.db2.gz ZYKNLOTUMFPAOI-KRWDZBQOSA-N 0 0 450.587 4.916 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC(F)(F)C2)sc1C ZINC001360901055 1066054097 /nfs/dbraw/zinc/05/40/97/1066054097.db2.gz CXOGFMNNBIEQKG-UHFFFAOYSA-N 0 0 485.402 4.649 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](CC(C)C)C2)sc1C ZINC001360901032 1066054125 /nfs/dbraw/zinc/05/41/25/1066054125.db2.gz CMQCGLNZMDSRBJ-IBGZPJMESA-N 0 0 487.073 4.856 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)sc1C ZINC001360901008 1066054150 /nfs/dbraw/zinc/05/41/50/1066054150.db2.gz CANREEBSFGVVJO-JXFKEZNVSA-N 0 0 473.618 4.930 20 0 JJADRN CC[C@@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1cccc(C)c1 ZINC001441617957 1066054437 /nfs/dbraw/zinc/05/44/37/1066054437.db2.gz WHTNHDSGPRXGRS-BTYIYWSLSA-N 0 0 452.498 4.719 20 0 JJADRN Cc1nc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H]2CCSC2)sc1C ZINC001360901427 1066054938 /nfs/dbraw/zinc/05/49/38/1066054938.db2.gz QQSZMNZPLTXQIU-CQSZACIVSA-N 0 0 482.448 4.910 20 0 JJADRN COc1cc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1NC(C)=O ZINC001441620242 1066054950 /nfs/dbraw/zinc/05/49/50/1066054950.db2.gz GQXKXBSGJQBSOY-NRFANRHFSA-N 0 0 455.555 4.884 20 0 JJADRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC001441624645 1066055405 /nfs/dbraw/zinc/05/54/05/1066055405.db2.gz RBMSLCOSVUTEGF-UHFFFAOYSA-N 0 0 451.929 4.710 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001441621845 1066055558 /nfs/dbraw/zinc/05/55/58/1066055558.db2.gz LGJFYWLCBPTNNR-UHFFFAOYSA-N 0 0 455.530 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H]1CCCC1(C)C ZINC001545943239 1066055920 /nfs/dbraw/zinc/05/59/20/1066055920.db2.gz YAZZVJQTPOHCPV-KSEOMHKRSA-N 0 0 455.622 4.965 20 0 JJADRN COc1ccc(F)cc1[C@@H](C)NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 ZINC001441625968 1066056012 /nfs/dbraw/zinc/05/60/12/1066056012.db2.gz PKHWEPQUTAJMLJ-ZSEVNMKBSA-N 0 0 452.592 4.581 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CC2)cc1Cl ZINC001441628060 1066056180 /nfs/dbraw/zinc/05/61/80/1066056180.db2.gz XABHASMSMOPKRU-INIZCTEOSA-N 0 0 450.366 4.754 20 0 JJADRN CCc1cc(OCC(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)ccc1Cl ZINC001441627043 1066056392 /nfs/dbraw/zinc/05/63/92/1066056392.db2.gz UQRSGAOFPZZUCM-UHFFFAOYSA-N 0 0 450.366 4.619 20 0 JJADRN Cc1nc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360903130 1066056565 /nfs/dbraw/zinc/05/65/65/1066056565.db2.gz UGBSBPGNSBGLQQ-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492597642 1066056594 /nfs/dbraw/zinc/05/65/94/1066056594.db2.gz CJIUFWAPSUWBDD-NOTUOJBMSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360903096 1066056607 /nfs/dbraw/zinc/05/66/07/1066056607.db2.gz SQXPJFVPEHOFBI-QGZVFWFLSA-N 0 0 486.617 4.699 20 0 JJADRN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001360903781 1066057476 /nfs/dbraw/zinc/05/74/76/1066057476.db2.gz MWBKCQVTQDSIPY-SFHVURJKSA-N 0 0 454.317 4.944 20 0 JJADRN Cc1nc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360903982 1066057500 /nfs/dbraw/zinc/05/75/00/1066057500.db2.gz BAOGWVSNWAIOTE-FQEVSTJZSA-N 0 0 488.702 4.968 20 0 JJADRN COc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1I ZINC001441649750 1066057655 /nfs/dbraw/zinc/05/76/55/1066057655.db2.gz LMQQOFBVSOTROO-UHFFFAOYSA-N 0 0 451.279 4.759 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001441651458 1066057689 /nfs/dbraw/zinc/05/76/89/1066057689.db2.gz PMNBLRJQPBHVMK-HNNXBMFYSA-N 0 0 457.905 4.736 20 0 JJADRN Cc1nc(Cn2c(CC(C)C)nnc2N2CCN([C@H](C)c3ccc(F)cc3F)CC2)sc1C ZINC001360904446 1066058047 /nfs/dbraw/zinc/05/80/47/1066058047.db2.gz IYUSDPVUIPKVRM-QGZVFWFLSA-N 0 0 474.625 4.760 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)sc1C ZINC001360904659 1066058378 /nfs/dbraw/zinc/05/83/78/1066058378.db2.gz MEKFYEORXRTLBG-OAHLLOKOSA-N 0 0 454.550 4.861 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCSC(C)(C)C2)sc1C ZINC001360904886 1066058878 /nfs/dbraw/zinc/05/88/78/1066058878.db2.gz HIFHIPJTGWZXPF-KRWDZBQOSA-N 0 0 492.715 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCc3ccc(OC4CCCC4)nc3)cc2C1 ZINC001441666366 1066059076 /nfs/dbraw/zinc/05/90/76/1066059076.db2.gz DRGFVNYJEBWBBZ-UHFFFAOYSA-N 0 0 457.596 4.688 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc(C(C)C)nc21 ZINC001545943708 1066059132 /nfs/dbraw/zinc/05/91/32/1066059132.db2.gz LQXMRIYBJCCGLW-UHFFFAOYSA-N 0 0 452.555 4.532 20 0 JJADRN Cc1nc(Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)sc1C ZINC001360905178 1066059277 /nfs/dbraw/zinc/05/92/77/1066059277.db2.gz MCTIYWIJMVYWJN-QGZVFWFLSA-N 0 0 492.615 4.648 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001441668414 1066059644 /nfs/dbraw/zinc/05/96/44/1066059644.db2.gz DPXDHDBBYYFLRW-YLJYHZDGSA-N 0 0 469.557 4.587 20 0 JJADRN Cc1nc(Cn2c(N(C)[C@H](C)c3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360905540 1066059869 /nfs/dbraw/zinc/05/98/69/1066059869.db2.gz TXQWTYFYSSWYQS-MZNJEOGPSA-N 0 0 473.618 4.777 20 0 JJADRN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001441671526 1066059953 /nfs/dbraw/zinc/05/99/53/1066059953.db2.gz QNKTWUGPYFDXOA-IXDOHACOSA-N 0 0 450.505 4.787 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3ccc(F)cc3)CC2)sc1C ZINC001360905602 1066060003 /nfs/dbraw/zinc/06/00/03/1066060003.db2.gz WBIACTDXSPFYKJ-INIZCTEOSA-N 0 0 456.635 4.918 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001360906135 1066060230 /nfs/dbraw/zinc/06/02/30/1066060230.db2.gz LYTQPIZQIPVXMV-UHFFFAOYSA-N 0 0 452.505 4.926 20 0 JJADRN CCN(C(=O)c1cnc(-c2ccccn2)s1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906522 1066060273 /nfs/dbraw/zinc/06/02/73/1066060273.db2.gz GGBPIMRHVIJTLP-UHFFFAOYSA-N 0 0 450.612 4.558 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360906171 1066060452 /nfs/dbraw/zinc/06/04/52/1066060452.db2.gz NGTSFYLOFPFPBX-NRFANRHFSA-N 0 0 458.647 4.574 20 0 JJADRN Cc1cccc(NC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)c1Cl ZINC001360905876 1066060481 /nfs/dbraw/zinc/06/04/81/1066060481.db2.gz DNHUBXKKOSMQAW-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001441680539 1066060740 /nfs/dbraw/zinc/06/07/40/1066060740.db2.gz JBEDNWDQILUOEI-QFQXNSOFSA-N 0 0 452.599 4.505 20 0 JJADRN CCN(C(=O)[C@H](C)[C@H]1OCCc2sccc21)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906603 1066060937 /nfs/dbraw/zinc/06/09/37/1066060937.db2.gz HOGWEUATOBRYLL-WZONZLPQSA-N 0 0 456.656 4.737 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2ccnc(-c3ccccc3)c2N)ccc1OCc1ccncc1 ZINC001441687082 1066061157 /nfs/dbraw/zinc/06/11/57/1066061157.db2.gz KZCYNYUPGGBRQA-GOSISDBHSA-N 0 0 454.530 4.804 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)C1(F)F ZINC001441691457 1066061543 /nfs/dbraw/zinc/06/15/43/1066061543.db2.gz SXDVCCYWIHXXKI-RDTXWAMCSA-N 0 0 478.446 4.853 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCCC1(F)F ZINC001360907308 1066061747 /nfs/dbraw/zinc/06/17/47/1066061747.db2.gz BHVUJLYMENVTEP-KRWDZBQOSA-N 0 0 482.645 4.854 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)Cc1nc(C(F)(F)F)cs1 ZINC001441694638 1066061904 /nfs/dbraw/zinc/06/19/04/1066061904.db2.gz UIKYWPBQQXLTJA-UHFFFAOYSA-N 0 0 451.470 4.997 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)cn1 ZINC001441693424 1066062106 /nfs/dbraw/zinc/06/21/06/1066062106.db2.gz MBOAOXRAPKFUOM-KRWDZBQOSA-N 0 0 455.555 4.677 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NCCNc2ncccc2C(F)(F)F)c1 ZINC001441694660 1066062117 /nfs/dbraw/zinc/06/21/17/1066062117.db2.gz VKSMWBSWVUMZAB-UHFFFAOYSA-N 0 0 458.868 4.943 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)c2ccccc2)n1CCC(C)(F)F ZINC001360907534 1066062078 /nfs/dbraw/zinc/06/20/78/1066062078.db2.gz JGZWOCVLSBJUTG-QGZVFWFLSA-N 0 0 476.597 4.789 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1CCCCC1 ZINC001360907663 1066062383 /nfs/dbraw/zinc/06/23/83/1066062383.db2.gz NCXZLJARJAPSKY-QGZVFWFLSA-N 0 0 487.695 4.827 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)n[nH]3)CC2=O)c1C ZINC001441699199 1066062548 /nfs/dbraw/zinc/06/25/48/1066062548.db2.gz YJLJJZJWYJPWQR-HSZRJFAPSA-N 0 0 458.606 4.918 20 0 JJADRN CCOc1cc(CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)ccc1OC(F)F ZINC001441699141 1066062602 /nfs/dbraw/zinc/06/26/02/1066062602.db2.gz YAFGQPMFGFNNRC-UHFFFAOYSA-N 0 0 456.367 4.889 20 0 JJADRN Cc1ccn2cnc(C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)c2c1 ZINC001441702093 1066062858 /nfs/dbraw/zinc/06/28/58/1066062858.db2.gz KBXZFGCECHBTDR-UHFFFAOYSA-N 0 0 450.901 4.716 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@](C)(O)C(C)C ZINC001360908143 1066063320 /nfs/dbraw/zinc/06/33/20/1066063320.db2.gz CWNPTZBHDYGXKT-SANMLTNESA-N 0 0 499.681 4.619 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)OC2CCCC2)n1CCC(=O)NC(C)(C)C ZINC001360908312 1066063700 /nfs/dbraw/zinc/06/37/00/1066063700.db2.gz HSBLUPUWGXGKIF-UHFFFAOYSA-N 0 0 482.654 4.992 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC001441724058 1066064532 /nfs/dbraw/zinc/06/45/32/1066064532.db2.gz BBVAPSALTRBPTB-UHFFFAOYSA-N 0 0 454.552 4.798 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC1(C(N)=O)CCCC1 ZINC001360908987 1066064851 /nfs/dbraw/zinc/06/48/51/1066064851.db2.gz UGVGJJACRGOEKY-UHFFFAOYSA-N 0 0 452.628 4.515 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CCSC(F)(F)F ZINC001360908992 1066064910 /nfs/dbraw/zinc/06/49/10/1066064910.db2.gz ULNLLJIIUADVPC-UHFFFAOYSA-N 0 0 492.637 4.670 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC001441733926 1066065297 /nfs/dbraw/zinc/06/52/97/1066065297.db2.gz LKXSUIJCMAWDAL-UHFFFAOYSA-N 0 0 458.584 4.734 20 0 JJADRN CCOC(=O)CNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 ZINC001441735923 1066065567 /nfs/dbraw/zinc/06/55/67/1066065567.db2.gz SDPDAZIPACMLJY-UHFFFAOYSA-N 0 0 458.514 4.649 20 0 JJADRN CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC001441735729 1066065688 /nfs/dbraw/zinc/06/56/88/1066065688.db2.gz VSBOHPHKPUBPAV-LJQANCHMSA-N 0 0 458.628 4.597 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)cc1 ZINC001441738594 1066066150 /nfs/dbraw/zinc/06/61/50/1066066150.db2.gz UXDYQQXHWBTWCY-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCCOCC(F)F ZINC001360910380 1066066302 /nfs/dbraw/zinc/06/63/02/1066066302.db2.gz FCGNRFLPMMCDID-HZPDHXFCSA-N 0 0 477.581 4.662 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3CCc3ccccc3)c2)C1 ZINC001441742445 1066066470 /nfs/dbraw/zinc/06/64/70/1066066470.db2.gz MPQBZKIGMQRHMY-LGVFNWMJSA-N 0 0 454.636 4.591 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCSCC(C)C ZINC001360910474 1066066706 /nfs/dbraw/zinc/06/67/06/1066066706.db2.gz HLSIKFMGUZGWIT-GOSISDBHSA-N 0 0 492.759 4.808 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CCc3ccccc3)c2)C1 ZINC001441742450 1066066800 /nfs/dbraw/zinc/06/68/00/1066066800.db2.gz MPQBZKIGMQRHMY-PQNGQFLHSA-N 0 0 454.636 4.591 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@H](C)[C@H]2C)n1CCSCCCO ZINC001360910645 1066066997 /nfs/dbraw/zinc/06/69/97/1066066997.db2.gz LSKCTJUATVFEKD-FUHWJXTLSA-N 0 0 457.669 4.727 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCCCCO ZINC001360910707 1066067045 /nfs/dbraw/zinc/06/70/45/1066067045.db2.gz NJPJLZWINCGAQE-IRXDYDNUSA-N 0 0 457.669 4.870 20 0 JJADRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2=O ZINC001441745092 1066067349 /nfs/dbraw/zinc/06/73/49/1066067349.db2.gz WXJFAVSVOLRLFO-JTSKRJEESA-N 0 0 452.382 4.548 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1nc(-c3cccc(Cl)c3)c(C)s1)CC2 ZINC001441747500 1066067385 /nfs/dbraw/zinc/06/73/85/1066067385.db2.gz UJXUAKAMJKAFKN-UHFFFAOYSA-N 0 0 457.983 4.786 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCCC(F)(F)F ZINC001360910736 1066067513 /nfs/dbraw/zinc/06/75/13/1066067513.db2.gz OALJMNZHQRWFSB-GJZGRUSLSA-N 0 0 472.581 4.514 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCOC(C)C ZINC001360911310 1066068256 /nfs/dbraw/zinc/06/82/56/1066068256.db2.gz HFGCZDFRMVRQFB-HDICACEKSA-N 0 0 455.628 4.806 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC(F)(F)F ZINC001360911260 1066068308 /nfs/dbraw/zinc/06/83/08/1066068308.db2.gz ZKSRSKCPTMOKIS-OAHLLOKOSA-N 0 0 486.608 4.762 20 0 JJADRN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441770876 1066068596 /nfs/dbraw/zinc/06/85/96/1066068596.db2.gz IZCJZNJZLAFDPK-MJGOQNOKSA-N 0 0 458.400 4.680 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)s1 ZINC001441774979 1066068975 /nfs/dbraw/zinc/06/89/75/1066068975.db2.gz QFVXKXYAIQGOSO-NEPJUHHUSA-N 0 0 456.793 4.540 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)C2)n1 ZINC001441775058 1066068997 /nfs/dbraw/zinc/06/89/97/1066068997.db2.gz RFIZPSICLOKJLC-OAHLLOKOSA-N 0 0 458.440 4.555 20 0 JJADRN Cc1csc(Sc2ccc(NC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)cc2)n1 ZINC001441773274 1066069025 /nfs/dbraw/zinc/06/90/25/1066069025.db2.gz NAOMJMUJKSGESP-HUUCEWRRSA-N 0 0 455.552 4.947 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360911896 1066068965 /nfs/dbraw/zinc/06/89/65/1066068965.db2.gz ZSVMZLONRKIEBE-HZPDHXFCSA-N 0 0 462.570 4.541 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@H]1Cc2ccccc21)c1ccc(Br)cc1 ZINC001441794027 1066069703 /nfs/dbraw/zinc/06/97/03/1066069703.db2.gz DLTZWTBVBQWRFF-WAIKUNEKSA-N 0 0 459.384 4.645 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001360913044 1066069868 /nfs/dbraw/zinc/06/98/68/1066069868.db2.gz KHZUQFSJDFKLHE-LSDHHAIUSA-N 0 0 493.450 4.841 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C(C)C ZINC001360914406 1066070586 /nfs/dbraw/zinc/07/05/86/1066070586.db2.gz FGXLQKXVFKVGIS-JOCHJYFZSA-N 0 0 487.693 4.928 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001441808856 1066071086 /nfs/dbraw/zinc/07/10/86/1066071086.db2.gz HUPJWHFDAOTKCM-CEWLAPEOSA-N 0 0 470.411 4.995 20 0 JJADRN COc1ccccc1CN(C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001441809566 1066071144 /nfs/dbraw/zinc/07/11/44/1066071144.db2.gz DFXHCSDEAUSKAM-UHFFFAOYSA-N 0 0 452.551 4.630 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)nn1-c1ccc(Br)cc1 ZINC001360915476 1066071424 /nfs/dbraw/zinc/07/14/24/1066071424.db2.gz IPUWKPYSNVBWIX-CQSZACIVSA-N 0 0 458.360 4.865 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC001441809989 1066071515 /nfs/dbraw/zinc/07/15/15/1066071515.db2.gz KBRBATWWZMOMEB-KRWDZBQOSA-N 0 0 456.384 4.604 20 0 JJADRN C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 ZINC001360915356 1066071498 /nfs/dbraw/zinc/07/14/98/1066071498.db2.gz DWGPCWQKQABSIR-ZDUSSCGKSA-N 0 0 450.461 4.754 20 0 JJADRN CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC001441811816 1066071726 /nfs/dbraw/zinc/07/17/26/1066071726.db2.gz MQYQOVKEFLTPPI-HXUWFJFHSA-N 0 0 458.400 4.536 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC001360915786 1066071923 /nfs/dbraw/zinc/07/19/23/1066071923.db2.gz RBXGIAAZFPMRHC-LBPRGKRZSA-N 0 0 451.424 4.952 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001360916302 1066072275 /nfs/dbraw/zinc/07/22/75/1066072275.db2.gz ICKOPMYHOMNSTM-QGZVFWFLSA-N 0 0 464.570 4.875 20 0 JJADRN Cc1n[nH]cc1CCCn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001360916532 1066072334 /nfs/dbraw/zinc/07/23/34/1066072334.db2.gz PSEGUQPYNMMHSP-HXUWFJFHSA-N 0 0 487.446 4.580 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)ccn2)cc1 ZINC001441814774 1066072431 /nfs/dbraw/zinc/07/24/31/1066072431.db2.gz JCUNGSIPXCXRIF-OAQYLSRUSA-N 0 0 457.571 4.828 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001360917045 1066072501 /nfs/dbraw/zinc/07/25/01/1066072501.db2.gz HDXYMYJZHQWHEQ-UHFFFAOYSA-N 0 0 455.396 4.765 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC001441816189 1066072994 /nfs/dbraw/zinc/07/29/94/1066072994.db2.gz IPJHDNRPVJHBHV-FQEVSTJZSA-N 0 0 455.352 4.579 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001360917794 1066072910 /nfs/dbraw/zinc/07/29/10/1066072910.db2.gz XGJKAKQYGAAYPY-WZONZLPQSA-N 0 0 452.576 4.724 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360918100 1066073304 /nfs/dbraw/zinc/07/33/04/1066073304.db2.gz IPLLTWZLCCMMRP-QGZVFWFLSA-N 0 0 461.607 4.816 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001360918032 1066073407 /nfs/dbraw/zinc/07/34/07/1066073407.db2.gz GRVZQBDWCFVWGN-ZDUSSCGKSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1 ZINC001360918300 1066073868 /nfs/dbraw/zinc/07/38/68/1066073868.db2.gz ONRIJOKHGVJHBM-UHFFFAOYSA-N 0 0 460.401 4.888 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)o1 ZINC001441822567 1066074026 /nfs/dbraw/zinc/07/40/26/1066074026.db2.gz YHSNRBGWEBMSIY-UHFFFAOYSA-N 0 0 453.470 4.948 20 0 JJADRN Cc1ccccc1O[C@H](C)CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001360918781 1066074716 /nfs/dbraw/zinc/07/47/16/1066074716.db2.gz BSCRAUJSDPKZKV-OAHLLOKOSA-N 0 0 455.908 4.862 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360920109 1066075829 /nfs/dbraw/zinc/07/58/29/1066075829.db2.gz OAJKBYWOFIJYKN-GOSISDBHSA-N 0 0 472.058 4.904 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001360920138 1066075935 /nfs/dbraw/zinc/07/59/35/1066075935.db2.gz PEUDPEKBUCOLSV-GOSISDBHSA-N 0 0 451.640 4.522 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874119 1066076172 /nfs/dbraw/zinc/07/61/72/1066076172.db2.gz ZETSSTYCKRMWKA-BWKNWUBXSA-N 0 0 459.590 4.901 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001360920230 1066076227 /nfs/dbraw/zinc/07/62/27/1066076227.db2.gz SNUAMGJHORTCLC-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001441874123 1066076478 /nfs/dbraw/zinc/07/64/78/1066076478.db2.gz ZETSSTYCKRMWKA-OFVILXPXSA-N 0 0 459.590 4.901 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360920247 1066076435 /nfs/dbraw/zinc/07/64/35/1066076435.db2.gz TWUNJLHXBIBISA-UHFFFAOYSA-N 0 0 478.460 4.967 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360920417 1066076706 /nfs/dbraw/zinc/07/67/06/1066076706.db2.gz VRINVRUJFAOHRY-UHFFFAOYSA-N 0 0 469.630 4.780 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360920381 1066076858 /nfs/dbraw/zinc/07/68/58/1066076858.db2.gz UWHMSRACXNSEFA-UHFFFAOYSA-N 0 0 494.709 4.945 20 0 JJADRN Cc1ccc(CCOC(=O)c2csc(I)c2Br)cc1 ZINC001360921020 1066077084 /nfs/dbraw/zinc/07/70/84/1066077084.db2.gz YOIDDIDKOPTSLC-UHFFFAOYSA-N 0 0 451.123 4.823 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cscn1 ZINC001360920625 1066077276 /nfs/dbraw/zinc/07/72/76/1066077276.db2.gz ZJFGGNUEKFNVKV-UHFFFAOYSA-N 0 0 462.551 4.647 20 0 JJADRN COc1cccc(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001441885799 1066077852 /nfs/dbraw/zinc/07/78/52/1066077852.db2.gz NQABWAFNFYGISZ-IBGZPJMESA-N 0 0 456.608 4.897 20 0 JJADRN CN(C)c1ncnc2c1cc(C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)n2C ZINC001441888056 1066078601 /nfs/dbraw/zinc/07/86/01/1066078601.db2.gz IHNQYLDXOUBEEV-GFCCVEGCSA-N 0 0 450.395 4.573 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360923516 1066079451 /nfs/dbraw/zinc/07/94/51/1066079451.db2.gz VXUOQGXKZXIEIA-UFYCRDLUSA-N 0 0 489.686 4.872 20 0 JJADRN O=C(Nc1ccccc1SC[C@H]1CC1(Cl)Cl)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001441893887 1066079512 /nfs/dbraw/zinc/07/95/12/1066079512.db2.gz QSDYGIFXJFALMO-VXGBXAGGSA-N 0 0 455.329 4.712 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360923515 1066079547 /nfs/dbraw/zinc/07/95/47/1066079547.db2.gz VXUOQGXKZXIEIA-AQNXPRMDSA-N 0 0 489.686 4.872 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc1Cl)C1CCCCC1 ZINC001441892642 1066079558 /nfs/dbraw/zinc/07/95/58/1066079558.db2.gz PRBALZDNBQYUIE-IFMALSPDSA-N 0 0 454.954 4.988 20 0 JJADRN O=C(Nc1ccccc1SC[C@H]1CC1(Cl)Cl)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001441893884 1066079568 /nfs/dbraw/zinc/07/95/68/1066079568.db2.gz QSDYGIFXJFALMO-NEPJUHHUSA-N 0 0 455.329 4.712 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001441893838 1066079768 /nfs/dbraw/zinc/07/97/68/1066079768.db2.gz PVYUSRVMYCAYQO-HXUWFJFHSA-N 0 0 451.007 4.995 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc1Cl)C1CCCCC1 ZINC001441892649 1066079781 /nfs/dbraw/zinc/07/97/81/1066079781.db2.gz PRBALZDNBQYUIE-IRLDBZIGSA-N 0 0 454.954 4.988 20 0 JJADRN Cc1ccsc1CCn1c(CC2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360924194 1066080241 /nfs/dbraw/zinc/08/02/41/1066080241.db2.gz KRWQDGFWFGPRHD-PKOBYXMFSA-N 0 0 459.660 4.583 20 0 JJADRN Cc1ccsc1CCn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360924546 1066080782 /nfs/dbraw/zinc/08/07/82/1066080782.db2.gz RQWRKDDDSRKJFE-NRFANRHFSA-N 0 0 481.666 4.779 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001441914320 1066080930 /nfs/dbraw/zinc/08/09/30/1066080930.db2.gz NTSYANUNDACKPS-TUACAJSNSA-N 0 0 458.599 4.527 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cc1Cl ZINC001441916968 1066080941 /nfs/dbraw/zinc/08/09/41/1066080941.db2.gz PHMJRJOIWDJFJD-UHFFFAOYSA-N 0 0 453.926 4.663 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001360925190 1066081031 /nfs/dbraw/zinc/08/10/31/1066081031.db2.gz WTSJYLLXBWXSPY-QFIPXVFZSA-N 0 0 451.542 4.675 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001360925189 1066081107 /nfs/dbraw/zinc/08/11/07/1066081107.db2.gz WTSJYLLXBWXSPY-JOCHJYFZSA-N 0 0 451.542 4.675 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC001360924987 1066081176 /nfs/dbraw/zinc/08/11/76/1066081176.db2.gz QUJASZHIQWPKDP-JOCHJYFZSA-N 0 0 456.380 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001441927673 1066081241 /nfs/dbraw/zinc/08/12/41/1066081241.db2.gz IGGBDFHIUTWIOB-UHFFFAOYSA-N 0 0 454.445 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cn2)C1 ZINC001441937446 1066081688 /nfs/dbraw/zinc/08/16/88/1066081688.db2.gz VMMJLIIKXZEIPW-FQEVSTJZSA-N 0 0 456.591 4.553 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)NCCc1nc(C(F)(F)F)cs1 ZINC001360925719 1066081982 /nfs/dbraw/zinc/08/19/82/1066081982.db2.gz OYARWFKATZSUIR-UHFFFAOYSA-N 0 0 457.699 4.706 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC001441949988 1066082106 /nfs/dbraw/zinc/08/21/06/1066082106.db2.gz MCTSKBNPRDSXOO-OAQYLSRUSA-N 0 0 456.539 4.881 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001441950657 1066082150 /nfs/dbraw/zinc/08/21/50/1066082150.db2.gz MGCNNRXYWWEBPK-UHFFFAOYSA-N 0 0 450.495 4.616 20 0 JJADRN CCNS(=O)(=O)c1cccc(C(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001441949196 1066082234 /nfs/dbraw/zinc/08/22/34/1066082234.db2.gz PDWDHNCKGHUZDV-UHFFFAOYSA-N 0 0 457.423 4.980 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001441956407 1066082546 /nfs/dbraw/zinc/08/25/46/1066082546.db2.gz IYQQLAWSJZQXTC-UHFFFAOYSA-N 0 0 459.787 4.887 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCSC1 ZINC001360927109 1066083816 /nfs/dbraw/zinc/08/38/16/1066083816.db2.gz NBBUNJGHXKUAFW-SFHVURJKSA-N 0 0 474.030 4.543 20 0 JJADRN O=C(CCCOc1ccccc1Cl)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441979288 1066083921 /nfs/dbraw/zinc/08/39/21/1066083921.db2.gz JTWZAJNYXSAMCQ-UHFFFAOYSA-N 0 0 455.769 4.790 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(Br)ccc1F ZINC001360928022 1066083968 /nfs/dbraw/zinc/08/39/68/1066083968.db2.gz VOSCFXJDDWALRG-GOSISDBHSA-N 0 0 452.320 4.973 20 0 JJADRN COC(=O)CC(C)(C)NC(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC001360928081 1066084328 /nfs/dbraw/zinc/08/43/28/1066084328.db2.gz XLZLTHYHEWJONJ-UHFFFAOYSA-N 0 0 457.368 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)Nc2ncc(Br)s2)CC1 ZINC001441990003 1066084552 /nfs/dbraw/zinc/08/45/52/1066084552.db2.gz UOMUCAIBBZJQRZ-UHFFFAOYSA-N 0 0 455.378 4.531 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(COc2ccccc2)c1 ZINC001442003897 1066084784 /nfs/dbraw/zinc/08/47/84/1066084784.db2.gz IZXAAEFYVDAPDK-CDJDEGQPSA-N 0 0 450.579 4.941 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)COc3cccc(C)c3)ccc2C)cc1 ZINC001441993826 1066084998 /nfs/dbraw/zinc/08/49/98/1066084998.db2.gz XUSSRLXBVWKRFA-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)cn3C)n2C2CC(C(C)(C)C)C2)cnn1C ZINC001360929485 1066085248 /nfs/dbraw/zinc/08/52/48/1066085248.db2.gz GSSZXWNYFNUXTF-UHFFFAOYSA-N 0 0 474.451 4.722 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360929498 1066085308 /nfs/dbraw/zinc/08/53/08/1066085308.db2.gz HINBVYUDISGHFM-GOSISDBHSA-N 0 0 487.576 4.962 20 0 JJADRN C[C@@H]1CCCN(Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024510 1066086186 /nfs/dbraw/zinc/08/61/86/1066086186.db2.gz XCAXIGNUETYNBE-WIYYLYMNSA-N 0 0 456.612 4.505 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCO[C@H]1C(C)C ZINC001360929791 1066086240 /nfs/dbraw/zinc/08/62/40/1066086240.db2.gz MMJHKTAOJKYWBR-XLIONFOSSA-N 0 0 476.419 4.645 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)nc2)C1(C)C ZINC001442029599 1066086368 /nfs/dbraw/zinc/08/63/68/1066086368.db2.gz DIGORSVZBBMORX-KBMIEXCESA-N 0 0 455.555 4.911 20 0 JJADRN O=C(CCNC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1 ZINC001442029138 1066086594 /nfs/dbraw/zinc/08/65/94/1066086594.db2.gz MWNMMUHSRLPOQQ-LFIBNONCSA-N 0 0 459.237 4.923 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)Cc1cccs1 ZINC001360930059 1066086608 /nfs/dbraw/zinc/08/66/08/1066086608.db2.gz RNZYAGBKVDTPAJ-GAJHUEQPSA-N 0 0 475.684 4.660 20 0 JJADRN CCOC(=O)N(C)c1ccc(NC(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)cc1 ZINC001442035873 1066087013 /nfs/dbraw/zinc/08/70/13/1066087013.db2.gz SIDHTIXZOOXAHI-UHFFFAOYSA-N 0 0 457.527 4.668 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)ccc1NC(=O)c1ccco1 ZINC001442039043 1066087464 /nfs/dbraw/zinc/08/74/64/1066087464.db2.gz PBYHMACGUQWARY-FQEVSTJZSA-N 0 0 453.539 4.959 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc2sccc2nc1Cl ZINC001442045850 1066087828 /nfs/dbraw/zinc/08/78/28/1066087828.db2.gz INZGYAWNERRSJH-LBPRGKRZSA-N 0 0 450.789 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2C1 ZINC001442059222 1066088196 /nfs/dbraw/zinc/08/81/96/1066088196.db2.gz JLGMZCRVAJBJQC-UHFFFAOYSA-N 0 0 452.536 4.587 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1OCc1ccncc1 ZINC001360931832 1066088623 /nfs/dbraw/zinc/08/86/23/1066088623.db2.gz WFCJBGBXZOGDSA-AREMUKBSSA-N 0 0 455.599 4.649 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001360932001 1066089073 /nfs/dbraw/zinc/08/90/73/1066089073.db2.gz BQGAOFAAOZZGRV-HOCLYGCPSA-N 0 0 476.444 4.924 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)C1CC1 ZINC001360932122 1066089372 /nfs/dbraw/zinc/08/93/72/1066089372.db2.gz GCAKVGDGSMEUGR-OAQYLSRUSA-N 0 0 463.351 4.546 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCNC(=O)C1CCC1 ZINC001360932324 1066089901 /nfs/dbraw/zinc/08/99/01/1066089901.db2.gz LHPLUYPWPYVDPB-UHFFFAOYSA-N 0 0 486.414 4.552 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1 ZINC001360932329 1066089924 /nfs/dbraw/zinc/08/99/24/1066089924.db2.gz LORSVZGHBPQOPO-AWEZNQCLSA-N 0 0 467.462 4.723 20 0 JJADRN O=C(NCc1cccc(Cn2cccn2)c1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001442072720 1066090081 /nfs/dbraw/zinc/09/00/81/1066090081.db2.gz USEOWHULIVKKGA-UHFFFAOYSA-N 0 0 457.317 4.735 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360932637 1066090288 /nfs/dbraw/zinc/09/02/88/1066090288.db2.gz PJXOUYBKLICBIK-UHFFFAOYSA-N 0 0 499.662 4.689 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)cc1)C1CCCCC1 ZINC001442083915 1066091718 /nfs/dbraw/zinc/09/17/18/1066091718.db2.gz MSHGXBNQGZYDFX-QRRVGDGBSA-N 0 0 455.599 4.723 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC001442084284 1066091861 /nfs/dbraw/zinc/09/18/61/1066091861.db2.gz OYQSMLPTHNVGKW-CQSZACIVSA-N 0 0 457.861 4.672 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1OCC ZINC001442089415 1066092144 /nfs/dbraw/zinc/09/21/44/1066092144.db2.gz ASOVMYAELCXQQX-UHFFFAOYSA-N 0 0 452.482 4.784 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(C)CCCO2)cnn1C ZINC001360934584 1066092581 /nfs/dbraw/zinc/09/25/81/1066092581.db2.gz FGKVXNTWQWPXJG-NRFANRHFSA-N 0 0 493.837 4.608 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC001442095869 1066092595 /nfs/dbraw/zinc/09/25/95/1066092595.db2.gz QDWMOXXRELODAA-GHEJJDCBSA-N 0 0 455.599 4.556 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)/C=C\[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001442096888 1066092603 /nfs/dbraw/zinc/09/26/03/1066092603.db2.gz TWUQFJMRXKKOCJ-SUJSUNJESA-N 0 0 455.599 4.701 20 0 JJADRN CCN(CC)C(=O)C1(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)CCCCC1 ZINC001442095810 1066092636 /nfs/dbraw/zinc/09/26/36/1066092636.db2.gz QLLGWQPXJCJGCM-UHFFFAOYSA-N 0 0 458.006 4.792 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)/C=C/[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001442095968 1066092682 /nfs/dbraw/zinc/09/26/82/1066092682.db2.gz TWUQFJMRXKKOCJ-ACGJQVIASA-N 0 0 455.599 4.701 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)/C=C/[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001442095969 1066092715 /nfs/dbraw/zinc/09/27/15/1066092715.db2.gz TWUQFJMRXKKOCJ-BESKYLIDSA-N 0 0 455.599 4.701 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(C)C)cnn1C ZINC001360934680 1066092827 /nfs/dbraw/zinc/09/28/27/1066092827.db2.gz HVTNHOKJLCIYAO-UHFFFAOYSA-N 0 0 465.989 4.507 20 0 JJADRN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1nc(C(F)(F)F)n2ccccc12 ZINC001442099398 1066092901 /nfs/dbraw/zinc/09/29/01/1066092901.db2.gz HDAYFQQNJGAFDZ-UHFFFAOYSA-N 0 0 453.446 4.888 20 0 JJADRN CCc1nnc(NC(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001442100220 1066093083 /nfs/dbraw/zinc/09/30/83/1066093083.db2.gz KHRRMUMNMBPRBR-DEOSSOPVSA-N 0 0 450.564 4.746 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(F)(F)C2)cnn1C ZINC001360934719 1066093116 /nfs/dbraw/zinc/09/31/16/1066093116.db2.gz JGPMBVBQPUOACM-AWEZNQCLSA-N 0 0 452.912 4.851 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)cnn1C ZINC001360934779 1066093131 /nfs/dbraw/zinc/09/31/31/1066093131.db2.gz LOONLGDUJQLRRA-DENIHFKCSA-N 0 0 457.022 4.728 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCc2ccccc2N2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001442102971 1066093432 /nfs/dbraw/zinc/09/34/32/1066093432.db2.gz WJUNRVGDCPQHKT-REWPJTCUSA-N 0 0 459.512 4.532 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNc2ccccn2)cnn1C ZINC001360934872 1066093736 /nfs/dbraw/zinc/09/37/36/1066093736.db2.gz PJICLPQLWGRSST-UHFFFAOYSA-N 0 0 485.423 4.827 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001442104554 1066093847 /nfs/dbraw/zinc/09/38/47/1066093847.db2.gz MMMLBFSHMBKGEY-DXKHKXSTSA-N 0 0 458.961 4.766 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Br)s2)n1CCn1ccnc1C ZINC001360934977 1066093960 /nfs/dbraw/zinc/09/39/60/1066093960.db2.gz SMHVODMAPHEDNM-UHFFFAOYSA-N 0 0 461.389 4.512 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@@H]2C(C)C)cnn1C ZINC001360934915 1066094075 /nfs/dbraw/zinc/09/40/75/1066094075.db2.gz QPFHCFISRXNSDX-HNAYVOBHSA-N 0 0 493.475 4.509 20 0 JJADRN CC(C)[C@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001442106988 1066094043 /nfs/dbraw/zinc/09/40/43/1066094043.db2.gz OXAANDZPQLDGDB-OHUGHZGNSA-N 0 0 458.622 4.521 20 0 JJADRN CO[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1C(F)(F)F ZINC001442109591 1066094080 /nfs/dbraw/zinc/09/40/80/1066094080.db2.gz TUGXEEDAUIJPDV-QZTJIDSGSA-N 0 0 458.274 4.756 20 0 JJADRN CCCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)c1C ZINC001442106583 1066094217 /nfs/dbraw/zinc/09/42/17/1066094217.db2.gz KHLSEIRJXMVUQX-YOEHRIQHSA-N 0 0 457.493 4.860 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCO1 ZINC001360935157 1066094389 /nfs/dbraw/zinc/09/43/89/1066094389.db2.gz CEJNKIRRSAYXAV-NRFANRHFSA-N 0 0 455.628 4.950 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCS(C)(=O)=O ZINC001360934995 1066094419 /nfs/dbraw/zinc/09/44/19/1066094419.db2.gz UDJKMAJBIDVFEE-UHFFFAOYSA-N 0 0 488.610 4.785 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2CC(C)(C)C2)cnn1C ZINC001360935266 1066094652 /nfs/dbraw/zinc/09/46/52/1066094652.db2.gz ZEHUVIBLVASSIL-UHFFFAOYSA-N 0 0 463.449 4.884 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccsc2Br)cnn1C ZINC001360935219 1066094822 /nfs/dbraw/zinc/09/48/22/1066094822.db2.gz XPMYIIJTROFUGW-UHFFFAOYSA-N 0 0 492.834 4.544 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCCCCC2)cnn1C ZINC001360935270 1066094850 /nfs/dbraw/zinc/09/48/50/1066094850.db2.gz ZNZPAOWENCELOA-UHFFFAOYSA-N 0 0 460.985 4.501 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360935500 1066095204 /nfs/dbraw/zinc/09/52/04/1066095204.db2.gz MLAOYTJZQPHBLC-UHFFFAOYSA-N 0 0 478.569 4.506 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCSC1 ZINC001360935349 1066095288 /nfs/dbraw/zinc/09/52/88/1066095288.db2.gz HGKIZTBBSYSVSS-DEOSSOPVSA-N 0 0 487.695 4.639 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1CCCN1CCCCC1=O ZINC001360935826 1066095501 /nfs/dbraw/zinc/09/55/01/1066095501.db2.gz YEKWHRGBZFCTHO-UHFFFAOYSA-N 0 0 486.414 4.648 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001442111769 1066095638 /nfs/dbraw/zinc/09/56/38/1066095638.db2.gz KXNLBMZWQSEMBZ-VIOKTNGOSA-N 0 0 459.590 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC001442112935 1066095677 /nfs/dbraw/zinc/09/56/77/1066095677.db2.gz HMDMFWTWVMKQQZ-LECLMCCNSA-N 0 0 455.530 4.833 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3F)n2Cc2ccsc2Br)cnn1C ZINC001360935655 1066095657 /nfs/dbraw/zinc/09/56/57/1066095657.db2.gz RYNHZKROSZFELN-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001360936592 1066096324 /nfs/dbraw/zinc/09/63/24/1066096324.db2.gz BIJPFWANQVIJQY-UHFFFAOYSA-N 0 0 458.566 4.911 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccnc2)n1CCc1csc(C(C)(C)C)n1 ZINC001360936989 1066096345 /nfs/dbraw/zinc/09/63/45/1066096345.db2.gz ISJAGKHYEMFYBE-UHFFFAOYSA-N 0 0 453.641 4.738 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)CCc2cc(Br)ccc2F)C1)C(=O)OC(C)(C)C ZINC001442116824 1066096413 /nfs/dbraw/zinc/09/64/13/1066096413.db2.gz LFPCFJSYAUDBGA-HNNXBMFYSA-N 0 0 457.384 4.626 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC001442118268 1066096469 /nfs/dbraw/zinc/09/64/69/1066096469.db2.gz NGJBMQPKNJHXQR-QGZVFWFLSA-N 0 0 453.583 4.840 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001360937544 1066096645 /nfs/dbraw/zinc/09/66/45/1066096645.db2.gz MOJUENTZJVUTGJ-AUUYWEPGSA-N 0 0 459.493 4.682 20 0 JJADRN O=C(NCCn1cccn1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001442124551 1066096797 /nfs/dbraw/zinc/09/67/97/1066096797.db2.gz WLIWKGLUWVJUOS-UHFFFAOYSA-N 0 0 453.618 4.582 20 0 JJADRN CCN(C(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21)C1CCC1 ZINC001360939072 1066097197 /nfs/dbraw/zinc/09/71/97/1066097197.db2.gz DWWYMQUAQNHYEU-LLVKDONJSA-N 0 0 458.727 4.661 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)cc1 ZINC001442128604 1066097264 /nfs/dbraw/zinc/09/72/64/1066097264.db2.gz GQWITHZYKNZNDV-UHFFFAOYSA-N 0 0 450.358 4.643 20 0 JJADRN CN(CCC(F)(F)F)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001442133561 1066097328 /nfs/dbraw/zinc/09/73/28/1066097328.db2.gz IMILDWRGCXCSNV-KRWDZBQOSA-N 0 0 453.299 4.600 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](F)c2ccc(Br)cc2)cnn1C ZINC001360940152 1066097564 /nfs/dbraw/zinc/09/75/64/1066097564.db2.gz JJHORHDBBWIJQS-UXHICEINSA-N 0 0 491.409 4.671 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001360940535 1066097752 /nfs/dbraw/zinc/09/77/52/1066097752.db2.gz NFNMXJZQDCLINI-RTBURBONSA-N 0 0 476.597 4.502 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCCO2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360940978 1066097782 /nfs/dbraw/zinc/09/77/82/1066097782.db2.gz LHGSJOITQCLPOB-HNNXBMFYSA-N 0 0 455.506 4.776 20 0 JJADRN Nc1c(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cccc1C(F)(F)F ZINC001442153493 1066098091 /nfs/dbraw/zinc/09/80/91/1066098091.db2.gz PRSVPQYZBOMIOI-HNNXBMFYSA-N 0 0 455.436 4.615 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC001360942261 1066098181 /nfs/dbraw/zinc/09/81/81/1066098181.db2.gz KZIUNKBSCNGXMP-XXBNENTESA-N 0 0 458.624 4.559 20 0 JJADRN CCCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943005 1066098555 /nfs/dbraw/zinc/09/85/55/1066098555.db2.gz DFJVVCCXYQEIAX-CYFREDJKSA-N 0 0 458.541 4.772 20 0 JJADRN COC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 ZINC001360942575 1066098631 /nfs/dbraw/zinc/09/86/31/1066098631.db2.gz TXHVNFSWPCZSKQ-RUZDIDTESA-N 0 0 459.521 4.733 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1C ZINC001360943562 1066098870 /nfs/dbraw/zinc/09/88/70/1066098870.db2.gz AAINLXKPLSHGSV-CUWPLCDZSA-N 0 0 473.618 4.561 20 0 JJADRN Cc1c(CN(C)c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)cnn1C ZINC001360944018 1066099007 /nfs/dbraw/zinc/09/90/07/1066099007.db2.gz JWTUXOFXJVIONB-UHFFFAOYSA-N 0 0 464.536 4.534 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360944634 1066099214 /nfs/dbraw/zinc/09/92/14/1066099214.db2.gz CXGAZVWWELXTFC-UHFFFAOYSA-N 0 0 487.551 4.552 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360944647 1066099418 /nfs/dbraw/zinc/09/94/18/1066099418.db2.gz DNIMPJRFCABLTC-UHFFFAOYSA-N 0 0 489.567 4.942 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001360944774 1066099694 /nfs/dbraw/zinc/09/96/94/1066099694.db2.gz IWUGQUZLTBYZHS-AUSIDOKSSA-N 0 0 457.619 4.861 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001442186620 1066100074 /nfs/dbraw/zinc/10/00/74/1066100074.db2.gz QGIRNWNZTZBZOA-OAQYLSRUSA-N 0 0 451.910 4.575 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNc1ccccn1 ZINC001360945025 1066100066 /nfs/dbraw/zinc/10/00/66/1066100066.db2.gz RJUGBJLOIKSNTD-UHFFFAOYSA-N 0 0 450.974 4.957 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360945221 1066100229 /nfs/dbraw/zinc/10/02/29/1066100229.db2.gz YSQDZRQWIOAGTD-UHFFFAOYSA-N 0 0 496.896 5.000 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1 ZINC001360945241 1066100246 /nfs/dbraw/zinc/10/02/46/1066100246.db2.gz ZLJXKDNIDHMDNI-UHFFFAOYSA-N 0 0 487.073 4.763 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cnn1C ZINC001360946254 1066100596 /nfs/dbraw/zinc/10/05/96/1066100596.db2.gz GDSAERGBVSLOBW-ZWKOTPCHSA-N 0 0 452.550 4.902 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001442189808 1066100669 /nfs/dbraw/zinc/10/06/69/1066100669.db2.gz MGRMOVGLWQKEJX-UHFFFAOYSA-N 0 0 453.583 4.766 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccncc2)n1CCc1ccccc1OC(F)F ZINC001360946070 1066100672 /nfs/dbraw/zinc/10/06/72/1066100672.db2.gz BATMLSRIALMQHM-UHFFFAOYSA-N 0 0 470.549 4.509 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCNC(=O)OC(C)(C)C ZINC001360947301 1066102323 /nfs/dbraw/zinc/10/23/23/1066102323.db2.gz GNTBVXURNMHEMG-UHFFFAOYSA-N 0 0 495.653 4.597 20 0 JJADRN CSCC[C@@H](CC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001442212537 1066102476 /nfs/dbraw/zinc/10/24/76/1066102476.db2.gz VJRYKAWATKHKGN-ZWKOTPCHSA-N 0 0 452.617 4.528 20 0 JJADRN COc1ncnc(OC)c1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc32)c(F)c1 ZINC001360948155 1066103109 /nfs/dbraw/zinc/10/31/09/1066103109.db2.gz MUDIQFOYXJSLLV-UHFFFAOYSA-N 0 0 454.845 4.879 20 0 JJADRN CC(C)(C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1csc(-c2cccs2)n1 ZINC001442214288 1066103237 /nfs/dbraw/zinc/10/32/37/1066103237.db2.gz ZZDFYTHRSIMNMT-UHFFFAOYSA-N 0 0 454.621 4.962 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1scnc1Br ZINC001442232029 1066105006 /nfs/dbraw/zinc/10/50/06/1066105006.db2.gz KEBBZRAJKATBLH-UHFFFAOYSA-N 0 0 451.365 4.920 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC001442233271 1066105747 /nfs/dbraw/zinc/10/57/47/1066105747.db2.gz NCDAZYFCDRVYOG-UHFFFAOYSA-N 0 0 458.578 4.834 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)C3(c4cccc(Br)c4)CCCC3)n2)cc1 ZINC001442232156 1066105812 /nfs/dbraw/zinc/10/58/12/1066105812.db2.gz LZCKEBUYVIOPIP-UHFFFAOYSA-N 0 0 454.368 4.772 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cccs2)cnn1C ZINC001360949648 1066106268 /nfs/dbraw/zinc/10/62/68/1066106268.db2.gz NXLGWZZLQJCLFI-UHFFFAOYSA-N 0 0 464.639 4.943 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001442245449 1066107328 /nfs/dbraw/zinc/10/73/28/1066107328.db2.gz LHXIXYRKRCDXBR-PGRDOPGGSA-N 0 0 454.368 4.841 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001442247498 1066107861 /nfs/dbraw/zinc/10/78/61/1066107861.db2.gz PEAUWCPKIHMOEV-VXKWHMMOSA-N 0 0 450.922 4.547 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccs1 ZINC001360950454 1066108027 /nfs/dbraw/zinc/10/80/27/1066108027.db2.gz MSDNFZQOTQZLJG-IYBDPMFKSA-N 0 0 474.656 4.560 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001442252166 1066108399 /nfs/dbraw/zinc/10/83/99/1066108399.db2.gz BJXXBPYNKNOEMY-UHFFFAOYSA-N 0 0 452.599 4.713 20 0 JJADRN C[C@H]1c2ccc(C(=O)NCCc3ccccc3C(F)(F)F)n2CCN1C(=O)OC(C)(C)C ZINC001442252865 1066108424 /nfs/dbraw/zinc/10/84/24/1066108424.db2.gz USZZFZJFULIMLT-HNNXBMFYSA-N 0 0 451.489 4.791 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2cc(Br)c(Br)[nH]2)CCCC1 ZINC001442253942 1066109003 /nfs/dbraw/zinc/10/90/03/1066109003.db2.gz LMZVWQXCUJNAQH-UHFFFAOYSA-N 0 0 456.178 4.790 20 0 JJADRN Cc1c(N)c(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)ccc1Br ZINC001442254767 1066109069 /nfs/dbraw/zinc/10/90/69/1066109069.db2.gz RUXRNNGVBKGPMU-UHFFFAOYSA-N 0 0 452.352 4.565 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001442264057 1066110103 /nfs/dbraw/zinc/11/01/03/1066110103.db2.gz VGVXWLQWNRLSPE-ATZDWAIDSA-N 0 0 452.979 4.872 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)cnn1CC(C)C ZINC001360953728 1066110205 /nfs/dbraw/zinc/11/02/05/1066110205.db2.gz VAFQGMPJPLDGQK-HXUWFJFHSA-N 0 0 485.702 4.943 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)cnn1CC(C)C ZINC001360953722 1066110220 /nfs/dbraw/zinc/11/02/20/1066110220.db2.gz VAFQGMPJPLDGQK-FQEVSTJZSA-N 0 0 485.702 4.943 20 0 JJADRN Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3OCCS(C)(=O)=O)c(Cl)nc12 ZINC001360953485 1066110228 /nfs/dbraw/zinc/11/02/28/1066110228.db2.gz DZOYUCJYFSHXHM-UHFFFAOYSA-N 0 0 453.347 4.526 20 0 JJADRN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001360953915 1066110262 /nfs/dbraw/zinc/11/02/62/1066110262.db2.gz LBXLUUZXCNVLSL-UHFFFAOYSA-N 0 0 456.269 4.688 20 0 JJADRN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC001442266415 1066110796 /nfs/dbraw/zinc/11/07/96/1066110796.db2.gz NMRQSOPDYBHTBK-NRFANRHFSA-N 0 0 458.990 4.631 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C)CC1 ZINC001360954362 1066111000 /nfs/dbraw/zinc/11/10/00/1066111000.db2.gz SINBYNFPRRICHO-UHFFFAOYSA-N 0 0 458.031 4.906 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCCc1ccccn1 ZINC001360954367 1066111017 /nfs/dbraw/zinc/11/10/17/1066111017.db2.gz SOCLYXLOOISHEC-UHFFFAOYSA-N 0 0 495.052 4.744 20 0 JJADRN COc1ccc(CCCNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001442282809 1066111174 /nfs/dbraw/zinc/11/11/74/1066111174.db2.gz HPFGHHZNKLCQNK-LJQANCHMSA-N 0 0 454.567 4.682 20 0 JJADRN CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC001442285728 1066111864 /nfs/dbraw/zinc/11/18/64/1066111864.db2.gz SYLVBGUOBQMUEQ-UHFFFAOYSA-N 0 0 459.521 4.760 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360955678 1066111959 /nfs/dbraw/zinc/11/19/59/1066111959.db2.gz GXUZKPVRDUCZOZ-MOPGFXCFSA-N 0 0 486.016 4.714 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360955742 1066112010 /nfs/dbraw/zinc/11/20/10/1066112010.db2.gz HBWOJUXMJMQDIO-LQWHRVPQSA-N 0 0 499.587 4.856 20 0 JJADRN C[C@](O)(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC001442296476 1066112420 /nfs/dbraw/zinc/11/24/20/1066112420.db2.gz MFKOKJCUWKCYAI-GBXCKJPGSA-N 0 0 454.339 4.970 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1)C1CC1 ZINC001360956285 1066112604 /nfs/dbraw/zinc/11/26/04/1066112604.db2.gz KEAGXSZZVHMHSQ-UHFFFAOYSA-N 0 0 459.543 4.641 20 0 JJADRN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC001442298365 1066112888 /nfs/dbraw/zinc/11/28/88/1066112888.db2.gz IHXQKCAELCDXPR-KRWDZBQOSA-N 0 0 455.274 4.561 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001442298790 1066113001 /nfs/dbraw/zinc/11/30/01/1066113001.db2.gz PDXZXROTBGCTFR-IPMKNSEASA-N 0 0 451.405 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC001442299150 1066113524 /nfs/dbraw/zinc/11/35/24/1066113524.db2.gz XGHGHNFRRLPHCT-JTHBVZDNSA-N 0 0 452.551 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)NCc2ccc(OC(C)(C)C)cc2)C1 ZINC001442299563 1066113555 /nfs/dbraw/zinc/11/35/55/1066113555.db2.gz QOVYOODHMFWBKS-UHFFFAOYSA-N 0 0 454.567 4.923 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442300041 1066113583 /nfs/dbraw/zinc/11/35/83/1066113583.db2.gz SMZFVVGOXIKXFW-GCJKJVERSA-N 0 0 451.405 4.833 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C)COC(C)(C)OC1 ZINC001442299601 1066113632 /nfs/dbraw/zinc/11/36/32/1066113632.db2.gz YSJUZLVZOVQEIT-UHFFFAOYSA-N 0 0 450.457 4.994 20 0 JJADRN Cc1cnc2c(C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cnn2c1 ZINC001442302171 1066114069 /nfs/dbraw/zinc/11/40/69/1066114069.db2.gz BGJKVQLUVLIBDP-UHFFFAOYSA-N 0 0 453.424 4.870 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3F)oc2C)c(OCC(F)(F)F)c1 ZINC001360958326 1066115063 /nfs/dbraw/zinc/11/50/63/1066115063.db2.gz AIASJBCHBSSCOO-UHFFFAOYSA-N 0 0 452.360 4.769 20 0 JJADRN O=C(Nc1cc(Br)c[nH]c1=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC001442306067 1066115248 /nfs/dbraw/zinc/11/52/48/1066115248.db2.gz IBMOPJWZXHCNMX-UHFFFAOYSA-N 0 0 452.717 4.769 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001545948095 1066115283 /nfs/dbraw/zinc/11/52/83/1066115283.db2.gz JWSLUOGFVGIEJV-DCFHFQCYSA-N 0 0 476.625 4.761 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2ccccc2)c[nH]1 ZINC001442307857 1066115837 /nfs/dbraw/zinc/11/58/37/1066115837.db2.gz MFFHQPLTKGFALZ-PWRODBHTSA-N 0 0 452.599 4.927 20 0 JJADRN CC[C@H](NC(=O)c1scc(C)c1I)c1nc(-c2ccccc2)c[nH]1 ZINC001442309609 1066115858 /nfs/dbraw/zinc/11/58/58/1066115858.db2.gz PAMOBFFMJWSELL-ZDUSSCGKSA-N 0 0 451.333 4.932 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001360959390 1066116250 /nfs/dbraw/zinc/11/62/50/1066116250.db2.gz AQBIQOOMBRKING-HNNXBMFYSA-N 0 0 461.433 4.788 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCCNC(=O)Cc3cccc(F)c3)c3ccccc3n2)c(C)c1 ZINC001360959142 1066116279 /nfs/dbraw/zinc/11/62/79/1066116279.db2.gz QGBNCHPENLNZBN-UHFFFAOYSA-N 0 0 455.533 4.746 20 0 JJADRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3sccc3-n3cccc3)cc2)c1 ZINC001442326665 1066116336 /nfs/dbraw/zinc/11/63/36/1066116336.db2.gz QBMPHRPDECVBJG-UHFFFAOYSA-N 0 0 459.571 4.837 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360959487 1066116809 /nfs/dbraw/zinc/11/68/09/1066116809.db2.gz DKTAEGJVDDWMFC-INIZCTEOSA-N 0 0 487.345 4.893 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001360959536 1066116842 /nfs/dbraw/zinc/11/68/42/1066116842.db2.gz GMUTVUKUCDHCTQ-GOSISDBHSA-N 0 0 458.653 4.639 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCCCC1 ZINC001360959682 1066117133 /nfs/dbraw/zinc/11/71/33/1066117133.db2.gz LPCMPITUULHVBT-UHFFFAOYSA-N 0 0 487.695 4.630 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](CC(C)C)C2)cnn1C ZINC001360959988 1066118147 /nfs/dbraw/zinc/11/81/47/1066118147.db2.gz VPKQINQUGPBWBV-OAHLLOKOSA-N 0 0 463.449 4.732 20 0 JJADRN O=C([C@@H]1Cc2cc(F)ccc2NC1=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001442338618 1066118169 /nfs/dbraw/zinc/11/81/69/1066118169.db2.gz SIBQHURPWTVVAO-GOSISDBHSA-N 0 0 458.320 4.867 20 0 JJADRN CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)cc2C1 ZINC001442348385 1066118578 /nfs/dbraw/zinc/11/85/78/1066118578.db2.gz GHVFAFAOUBQOJN-RTWAWAEBSA-N 0 0 454.636 4.738 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2C[C@@H](C)S[C@@H](C)C2)cnn1C ZINC001360960264 1066118575 /nfs/dbraw/zinc/11/85/75/1066118575.db2.gz HCRMFMQMNUVGAV-BETUJISGSA-N 0 0 451.427 4.672 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@H](C(C)C)C2)cnn1C ZINC001360960302 1066118600 /nfs/dbraw/zinc/11/86/00/1066118600.db2.gz IIGYRXCZOITTKC-IBGZPJMESA-N 0 0 465.454 4.920 20 0 JJADRN O=C(c1ccc(-c2ccc(Cl)cc2)cc1F)N1CCN(CCCOCC(F)(F)F)CC1 ZINC001442347226 1066118617 /nfs/dbraw/zinc/11/86/17/1066118617.db2.gz CONGROPGQOIUJK-UHFFFAOYSA-N 0 0 458.883 4.873 20 0 JJADRN CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)cc2C1 ZINC001442348383 1066118655 /nfs/dbraw/zinc/11/86/55/1066118655.db2.gz GHVFAFAOUBQOJN-NHCUHLMSSA-N 0 0 454.636 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545948423 1066118680 /nfs/dbraw/zinc/11/86/80/1066118680.db2.gz QJCDHBGRSANHSF-LJQANCHMSA-N 0 0 472.634 4.576 20 0 JJADRN C[C@H](c1ccc2ccccc2c1)N(C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001442353229 1066119257 /nfs/dbraw/zinc/11/92/57/1066119257.db2.gz NWWQMFHZYVENET-LJQANCHMSA-N 0 0 451.611 4.881 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)Cc4ccccc4Cl)CC3)c(F)c2)cc1 ZINC001442358965 1066119858 /nfs/dbraw/zinc/11/98/58/1066119858.db2.gz PNVWKKXODKPZAQ-UHFFFAOYSA-N 0 0 450.941 4.982 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCC(F)(F)CC2)OC ZINC001545948551 1066120161 /nfs/dbraw/zinc/12/01/61/1066120161.db2.gz SUPGHUHILMURNI-HXUWFJFHSA-N 0 0 475.584 4.978 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1 ZINC001442364957 1066120215 /nfs/dbraw/zinc/12/02/15/1066120215.db2.gz KVUQMEBLRTVETR-INIZCTEOSA-N 0 0 458.006 4.569 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)OCc3csc(-c4ccc(OC)cc4)n3)cc2C1=O ZINC001360961181 1066120708 /nfs/dbraw/zinc/12/07/08/1066120708.db2.gz CQAIHYVHGAJGKT-UHFFFAOYSA-N 0 0 450.516 4.572 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001442370886 1066120827 /nfs/dbraw/zinc/12/08/27/1066120827.db2.gz DGNCDOVPYDDZHG-HOTGVXAUSA-N 0 0 456.384 4.965 20 0 JJADRN COc1ccc(-c2nc(COC(=O)Cn3c(=O)sc(C)c3-c3ccccc3)cs2)cc1 ZINC001360962051 1066121714 /nfs/dbraw/zinc/12/17/14/1066121714.db2.gz XMPAYYRXEXEWGV-UHFFFAOYSA-N 0 0 452.557 4.761 20 0 JJADRN COc1ccc(-c2nc(COC(=O)c3cc(OC)c(OC(F)F)c(OC)c3)cs2)cc1 ZINC001360962061 1066121788 /nfs/dbraw/zinc/12/17/88/1066121788.db2.gz XQEVSROIPGWKRB-UHFFFAOYSA-N 0 0 451.447 4.794 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360962498 1066122298 /nfs/dbraw/zinc/12/22/98/1066122298.db2.gz HNOZPTGTDZDUDF-QGZVFWFLSA-N 0 0 491.455 4.756 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962484 1066122314 /nfs/dbraw/zinc/12/23/14/1066122314.db2.gz GUOUWEFFUZDFMZ-ZWKOTPCHSA-N 0 0 469.561 4.773 20 0 JJADRN C=CC(=O)N1CCC(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)(c2ccccc2)CC1 ZINC001442386151 1066122529 /nfs/dbraw/zinc/12/25/29/1066122529.db2.gz HCAAHKSVWNZVMJ-QFIPXVFZSA-N 0 0 454.517 4.528 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)noc1C ZINC001360962859 1066122767 /nfs/dbraw/zinc/12/27/67/1066122767.db2.gz UKQQTDMYQPHUFE-UHFFFAOYSA-N 0 0 456.344 4.899 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962856 1066122865 /nfs/dbraw/zinc/12/28/65/1066122865.db2.gz UHPJGIIDROLNCD-RTBURBONSA-N 0 0 482.654 4.888 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC001442390245 1066122970 /nfs/dbraw/zinc/12/29/70/1066122970.db2.gz YUAYJRADQVQFQZ-UHFFFAOYSA-N 0 0 454.567 4.663 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCCc1cc(Br)ccc1F)c1ccccc1 ZINC001442392583 1066122984 /nfs/dbraw/zinc/12/29/84/1066122984.db2.gz GWAYMIJSMIZMRT-UHFFFAOYSA-N 0 0 451.336 4.689 20 0 JJADRN CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC001442391545 1066123071 /nfs/dbraw/zinc/12/30/71/1066123071.db2.gz BQLKRQSOUSBCMD-CYBMUJFWSA-N 0 0 455.816 4.644 20 0 JJADRN Cc1c(Cn2c(-c3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)cnn1CC(C)C ZINC001360963839 1066123506 /nfs/dbraw/zinc/12/35/06/1066123506.db2.gz PTFMNECZWFNOGI-UHFFFAOYSA-N 0 0 464.017 4.882 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC001442394110 1066123695 /nfs/dbraw/zinc/12/36/95/1066123695.db2.gz HYZXPIQKAJJCAE-OALUTQOASA-N 0 0 450.579 4.577 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC001360964500 1066124036 /nfs/dbraw/zinc/12/40/36/1066124036.db2.gz RYACFMILOHWEJK-UHFFFAOYSA-N 0 0 458.949 4.525 20 0 JJADRN CCCN(C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@@H](C)c1ccccc1OC ZINC001442399036 1066124141 /nfs/dbraw/zinc/12/41/41/1066124141.db2.gz UZXCRDZLXDLCJG-ROUUACIJSA-N 0 0 456.587 4.756 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1C ZINC001442398726 1066124158 /nfs/dbraw/zinc/12/41/58/1066124158.db2.gz UFWWXGSKXAVKOP-HSZRJFAPSA-N 0 0 451.364 4.702 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C ZINC001360967028 1066124463 /nfs/dbraw/zinc/12/44/63/1066124463.db2.gz KAKZIXHSETZIFL-PMACEKPBSA-N 0 0 457.619 4.967 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360966971 1066124572 /nfs/dbraw/zinc/12/45/72/1066124572.db2.gz IMFWNZCCDZGGLG-RBUKOAKNSA-N 0 0 475.659 4.631 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC001442400901 1066124740 /nfs/dbraw/zinc/12/47/40/1066124740.db2.gz CTLIIDQOHYUBGH-IBGZPJMESA-N 0 0 454.567 4.745 20 0 JJADRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)C(C)(C)c1ccccc1 ZINC001360967768 1066124957 /nfs/dbraw/zinc/12/49/57/1066124957.db2.gz MPEBFTLDPZGKFI-OAQYLSRUSA-N 0 0 451.032 4.855 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001360968056 1066125054 /nfs/dbraw/zinc/12/50/54/1066125054.db2.gz RHIYJWBJNWDYDP-UHFFFAOYSA-N 0 0 453.174 4.990 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001442403409 1066125109 /nfs/dbraw/zinc/12/51/09/1066125109.db2.gz BJXXSZWKSXINPH-JBDIQEJZSA-N 0 0 454.998 4.976 20 0 JJADRN O=C(NCCOc1ccccc1-c1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001442402090 1066125215 /nfs/dbraw/zinc/12/52/15/1066125215.db2.gz QXGZKCCXFNMBDP-LKUDQCMESA-N 0 0 452.510 4.913 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC1 ZINC001360968225 1066125642 /nfs/dbraw/zinc/12/56/42/1066125642.db2.gz SREZECQJPFMLAW-OAHLLOKOSA-N 0 0 454.445 4.878 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)NCC2(c3ccccc3Br)CC2)c(=O)[nH]1 ZINC001360968201 1066125661 /nfs/dbraw/zinc/12/56/61/1066125661.db2.gz SBGSQJDYWWHKJP-UHFFFAOYSA-N 0 0 453.336 4.687 20 0 JJADRN CCc1ccc(NC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)cc1S(N)(=O)=O ZINC001442409508 1066125802 /nfs/dbraw/zinc/12/58/02/1066125802.db2.gz FCCVBPOOWHICRF-HSZRJFAPSA-N 0 0 454.617 4.985 20 0 JJADRN Cc1nnsc1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360968986 1066125999 /nfs/dbraw/zinc/12/59/99/1066125999.db2.gz ZDGBSXWLIFFUFG-UHFFFAOYSA-N 0 0 453.435 4.604 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001360968810 1066126028 /nfs/dbraw/zinc/12/60/28/1066126028.db2.gz GJGHJCRXCYTJER-FGZHOGPDSA-N 0 0 457.412 4.842 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360971484 1066127371 /nfs/dbraw/zinc/12/73/71/1066127371.db2.gz TUNMCYZJGKIZRO-QUCCMNQESA-N 0 0 489.686 4.720 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001360971665 1066127380 /nfs/dbraw/zinc/12/73/80/1066127380.db2.gz WCIGHVSMGUVRDW-RLLQIKCJSA-N 0 0 473.618 4.551 20 0 JJADRN Cc1ccoc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360971442 1066127409 /nfs/dbraw/zinc/12/74/09/1066127409.db2.gz SLDITMRIMPZLOB-MSOLQXFVSA-N 0 0 475.659 4.673 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001360971662 1066127452 /nfs/dbraw/zinc/12/74/52/1066127452.db2.gz WCIGHVSMGUVRDW-HOJAQTOUSA-N 0 0 473.618 4.551 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001360972006 1066128123 /nfs/dbraw/zinc/12/81/23/1066128123.db2.gz LDUBOXQRWUDVHQ-UHFFFAOYSA-N 0 0 467.614 4.884 20 0 JJADRN Cc1c(Cn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@H](C)c2nccs2)cnn1CC(C)C ZINC001360972492 1066128554 /nfs/dbraw/zinc/12/85/54/1066128554.db2.gz ANKKUVXVBLUZHU-SFHVURJKSA-N 0 0 481.645 4.914 20 0 JJADRN Nc1c(I)cccc1C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC001442468968 1066128596 /nfs/dbraw/zinc/12/85/96/1066128596.db2.gz BXRPKNQMOSLAJZ-UHFFFAOYSA-N 0 0 454.311 4.956 20 0 JJADRN Cc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)cc1NC(=O)c1ccncc1 ZINC001442472421 1066129241 /nfs/dbraw/zinc/12/92/41/1066129241.db2.gz VDTMVOXPBKYFPZ-UHFFFAOYSA-N 0 0 451.567 4.975 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)no1 ZINC001442473328 1066129267 /nfs/dbraw/zinc/12/92/67/1066129267.db2.gz VVZXPWKGUKCDQX-INIZCTEOSA-N 0 0 454.521 4.860 20 0 JJADRN Cc1ccsc1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360973316 1066130224 /nfs/dbraw/zinc/13/02/24/1066130224.db2.gz GCYSFNWEXUTCFW-IBGZPJMESA-N 0 0 459.660 4.780 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360973309 1066130229 /nfs/dbraw/zinc/13/02/29/1066130229.db2.gz FQMMTBMAEXFGNQ-KRWDZBQOSA-N 0 0 473.668 4.794 20 0 JJADRN Cc1c(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2F)cnn1CC(C)C ZINC001360973540 1066130264 /nfs/dbraw/zinc/13/02/64/1066130264.db2.gz KRMDIXKVMGTQFY-UHFFFAOYSA-N 0 0 452.603 4.915 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(Br)c(C)[nH]c2=O)cc1 ZINC001442475988 1066130365 /nfs/dbraw/zinc/13/03/65/1066130365.db2.gz QDLPERIGPVHBBU-HXUWFJFHSA-N 0 0 459.315 4.720 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360973568 1066130560 /nfs/dbraw/zinc/13/05/60/1066130560.db2.gz LFAKVOMFDTUUGS-UYAOXDASSA-N 0 0 457.619 4.700 20 0 JJADRN Cc1c(Cn2c(Cc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)cnn1CC(C)C ZINC001360973765 1066130577 /nfs/dbraw/zinc/13/05/77/1066130577.db2.gz HVOWDQGGAXKDOB-UHFFFAOYSA-N 0 0 475.563 4.642 20 0 JJADRN Cc1ccoc1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360974031 1066130624 /nfs/dbraw/zinc/13/06/24/1066130624.db2.gz WDUSDXBZLGNEIC-JOCHJYFZSA-N 0 0 479.625 4.849 20 0 JJADRN Cc1c(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)cnn1CC(C)C ZINC001360973689 1066130672 /nfs/dbraw/zinc/13/06/72/1066130672.db2.gz FAUVWPURAMTDLK-UHFFFAOYSA-N 0 0 482.007 4.902 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360974011 1066130680 /nfs/dbraw/zinc/13/06/80/1066130680.db2.gz KSSVMBCHKMWPLK-UHFFFAOYSA-N 0 0 458.385 4.674 20 0 JJADRN Cc1ccoc1Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360974397 1066131065 /nfs/dbraw/zinc/13/10/65/1066131065.db2.gz TXIXNFSHYLSGMS-UHFFFAOYSA-N 0 0 459.394 4.535 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC001442499610 1066131476 /nfs/dbraw/zinc/13/14/76/1066131476.db2.gz WSPIYCIAYJKKTJ-UHFFFAOYSA-N 0 0 458.606 4.933 20 0 JJADRN COc1cc(I)c(C(=O)N2CCCCCc3ccccc32)cc1OC ZINC001360975418 1066131743 /nfs/dbraw/zinc/13/17/43/1066131743.db2.gz UVALUUQJJJIQEF-UHFFFAOYSA-N 0 0 451.304 4.682 20 0 JJADRN Cc1ccsc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCc1ccccc1 ZINC001360976551 1066132210 /nfs/dbraw/zinc/13/22/10/1066132210.db2.gz KSFSRIHLCUQIFQ-UHFFFAOYSA-N 0 0 465.648 4.757 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1nnn(-c2ccccc2)c1C(F)F ZINC001442523275 1066132513 /nfs/dbraw/zinc/13/25/13/1066132513.db2.gz KQOQJSLRXOHETA-UHFFFAOYSA-N 0 0 454.481 4.865 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001442521663 1066132559 /nfs/dbraw/zinc/13/25/59/1066132559.db2.gz ZBQLZMQGZPEHGB-IBGZPJMESA-N 0 0 452.595 4.782 20 0 JJADRN Cc1ccsc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001360976679 1066132663 /nfs/dbraw/zinc/13/26/63/1066132663.db2.gz PNDKGCUHCHIEHT-UHFFFAOYSA-N 0 0 473.574 4.602 20 0 JJADRN O=C(CCSc1ccc2c(c1)OCCO2)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC001442526837 1066132640 /nfs/dbraw/zinc/13/26/40/1066132640.db2.gz PQQOGCHECAVTJA-UHFFFAOYSA-N 0 0 455.580 4.987 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001442527745 1066132940 /nfs/dbraw/zinc/13/29/40/1066132940.db2.gz IHCLJJQPXASREI-PGRDOPGGSA-N 0 0 458.002 4.857 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001442527722 1066133024 /nfs/dbraw/zinc/13/30/24/1066133024.db2.gz IHCLJJQPXASREI-GCJKJVERSA-N 0 0 458.002 4.857 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001442527200 1066133052 /nfs/dbraw/zinc/13/30/52/1066133052.db2.gz JFKQWCRCEAFKTF-GJZUVCINSA-N 0 0 456.586 4.704 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360976936 1066133044 /nfs/dbraw/zinc/13/30/44/1066133044.db2.gz YZUQVXLPCLDJQY-SJORKVTESA-N 0 0 454.644 4.845 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360976933 1066133106 /nfs/dbraw/zinc/13/31/06/1066133106.db2.gz YZUQVXLPCLDJQY-DLBZAZTESA-N 0 0 454.644 4.845 20 0 JJADRN Cc1ccsc1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360976885 1066133133 /nfs/dbraw/zinc/13/31/33/1066133133.db2.gz XNYZIACPCTYIOC-LJQANCHMSA-N 0 0 450.530 4.639 20 0 JJADRN Cc1ccoc1Cn1c(N(C)Cc2ccc(Br)s2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360976991 1066133748 /nfs/dbraw/zinc/13/37/48/1066133748.db2.gz ATFOKUUTIGHORB-OAQYLSRUSA-N 0 0 495.443 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2C1 ZINC001442531143 1066133700 /nfs/dbraw/zinc/13/37/00/1066133700.db2.gz VAVZYWUKIHZDBS-QGZVFWFLSA-N 0 0 455.986 4.847 20 0 JJADRN Cc1c(Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)cnn1CC(C)C ZINC001360977100 1066134159 /nfs/dbraw/zinc/13/41/59/1066134159.db2.gz DUJFPZUHMMXLRA-QFIPXVFZSA-N 0 0 498.647 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC001442538839 1066134208 /nfs/dbraw/zinc/13/42/08/1066134208.db2.gz FEFCHCXTLQTSNX-RBUKOAKNSA-N 0 0 451.405 4.772 20 0 JJADRN Cc1ccsc1Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360977657 1066135800 /nfs/dbraw/zinc/13/58/00/1066135800.db2.gz YAJWOMGCNBTVJF-NBGIEHNGSA-N 0 0 454.640 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 ZINC001442548878 1066135820 /nfs/dbraw/zinc/13/58/20/1066135820.db2.gz QEADNYABSOYLTM-ROUUACIJSA-N 0 0 455.368 4.982 20 0 JJADRN O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccnc(Cl)c1I ZINC001442549432 1066135830 /nfs/dbraw/zinc/13/58/30/1066135830.db2.gz JZTLZBBUSMXUAS-UHFFFAOYSA-N 0 0 450.667 4.731 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 ZINC001360978280 1066136041 /nfs/dbraw/zinc/13/60/41/1066136041.db2.gz RANARWNIUIUGAI-HSZRJFAPSA-N 0 0 453.922 4.972 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1cc(F)ccc1Sc1nccn1C)NC(=O)OC(C)(C)C ZINC001442550199 1066136182 /nfs/dbraw/zinc/13/61/82/1066136182.db2.gz YVWKCNCHSDPFEX-INIZCTEOSA-N 0 0 450.580 4.978 20 0 JJADRN Cc1ccsc1Cn1c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C ZINC001360978880 1066137123 /nfs/dbraw/zinc/13/71/23/1066137123.db2.gz FJZWHKPRPMCGFO-LJQANCHMSA-N 0 0 451.640 4.640 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1 ZINC001360978680 1066137145 /nfs/dbraw/zinc/13/71/45/1066137145.db2.gz BTMDVRJUOZJGRQ-ABHNRTSZSA-N 0 0 463.623 4.953 20 0 JJADRN O=C(NCc1cccc2cccnc21)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001442552390 1066137332 /nfs/dbraw/zinc/13/73/32/1066137332.db2.gz DSNIPODZPFCMCK-MRXNPFEDSA-N 0 0 458.303 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001442552891 1066137406 /nfs/dbraw/zinc/13/74/06/1066137406.db2.gz ZGEMUIKOLSWFAH-RTWAWAEBSA-N 0 0 458.990 4.920 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)C2)cnn1CC(C)C ZINC001360979912 1066138034 /nfs/dbraw/zinc/13/80/34/1066138034.db2.gz YTMHQLHYDPPAAM-QZRMGYTESA-N 0 0 460.642 4.590 20 0 JJADRN O=C(Nc1ccc(NC2CCCCC2)cc1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001442563922 1066138448 /nfs/dbraw/zinc/13/84/48/1066138448.db2.gz BUSXUAUROUDLAH-SFHVURJKSA-N 0 0 455.986 4.951 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001360980356 1066138641 /nfs/dbraw/zinc/13/86/41/1066138641.db2.gz VJRZRGGSKNRMDE-PMACEKPBSA-N 0 0 459.384 4.977 20 0 JJADRN CN(C)c1ccc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)nc1 ZINC001442567570 1066138939 /nfs/dbraw/zinc/13/89/39/1066138939.db2.gz HEXKTAUEBJLONL-UHFFFAOYSA-N 0 0 453.568 4.794 20 0 JJADRN Cc1c(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)cnn1CC(C)C ZINC001360981014 1066139103 /nfs/dbraw/zinc/13/91/03/1066139103.db2.gz JGRZNRFVMDTOSR-OAQYLSRUSA-N 0 0 460.985 4.768 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360981065 1066139399 /nfs/dbraw/zinc/13/93/99/1066139399.db2.gz KVTRIUURJLKASN-QKNQBKEWSA-N 0 0 487.645 4.640 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981227 1066139412 /nfs/dbraw/zinc/13/94/12/1066139412.db2.gz KKNHJGMLJWIZIM-KHVXQDHOSA-N 0 0 463.599 4.573 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360981224 1066139464 /nfs/dbraw/zinc/13/94/64/1066139464.db2.gz MGDQNDMROLAHAS-UHFFFAOYSA-N 0 0 486.041 4.587 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981073 1066139497 /nfs/dbraw/zinc/13/94/97/1066139497.db2.gz GVDLEELGBVJZNG-WHSBFGAESA-N 0 0 463.599 4.888 20 0 JJADRN COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001360981220 1066139546 /nfs/dbraw/zinc/13/95/46/1066139546.db2.gz KITLKOQFIKXPHD-MRXNPFEDSA-N 0 0 450.539 4.934 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360981384 1066140031 /nfs/dbraw/zinc/14/00/31/1066140031.db2.gz OPKCVVSYGGRZAG-LJQANCHMSA-N 0 0 483.016 4.796 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001360981552 1066140049 /nfs/dbraw/zinc/14/00/49/1066140049.db2.gz PRXUJUACDFTAEN-NQIIRXRSSA-N 0 0 451.567 4.568 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001360982001 1066141295 /nfs/dbraw/zinc/14/12/95/1066141295.db2.gz XYJMQTNNOHSCJK-UHFFFAOYSA-N 0 0 450.896 4.783 20 0 JJADRN O=C(NCC1(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CCCC1)OCc1ccccc1 ZINC001442591484 1066141347 /nfs/dbraw/zinc/14/13/47/1066141347.db2.gz HPEPJUGKXIUMTB-UHFFFAOYSA-N 0 0 453.970 4.967 20 0 JJADRN CC[C@@H](C)Sc1ccc(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c(C)c1 ZINC001442586077 1066141360 /nfs/dbraw/zinc/14/13/60/1066141360.db2.gz IMFOKTJNDGAUHV-WAIKUNEKSA-N 0 0 452.592 4.800 20 0 JJADRN O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc(Br)ncc1Br ZINC001442588712 1066141366 /nfs/dbraw/zinc/14/13/66/1066141366.db2.gz AARXPKDDHVLARS-UHFFFAOYSA-N 0 0 457.553 4.714 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360982281 1066141558 /nfs/dbraw/zinc/14/15/58/1066141558.db2.gz HSXVNWNUWZLNHY-UHFFFAOYSA-N 0 0 469.939 4.579 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCCCCC1 ZINC001442592174 1066141668 /nfs/dbraw/zinc/14/16/68/1066141668.db2.gz IKAYXJJEECZGFU-NRFANRHFSA-N 0 0 455.603 4.571 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360982814 1066143140 /nfs/dbraw/zinc/14/31/40/1066143140.db2.gz WBQHHBPRLQREQF-FQEVSTJZSA-N 0 0 497.043 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)C(C)(C)C1 ZINC001442603209 1066143145 /nfs/dbraw/zinc/14/31/45/1066143145.db2.gz QBQKCOJXVNWUHL-SFHVURJKSA-N 0 0 451.405 4.833 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NCc1c(C)cc(Br)cc1C ZINC001442600456 1066143217 /nfs/dbraw/zinc/14/32/17/1066143217.db2.gz YKMYNJSZHCOYJO-UHFFFAOYSA-N 0 0 451.361 4.922 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC001442605484 1066143915 /nfs/dbraw/zinc/14/39/15/1066143915.db2.gz WLYAXUPORVTQMR-QGZVFWFLSA-N 0 0 457.434 4.587 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001442606951 1066143987 /nfs/dbraw/zinc/14/39/87/1066143987.db2.gz DBISDLMXSDEWBB-LDJQZATESA-N 0 0 453.421 4.970 20 0 JJADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545950411 1066144010 /nfs/dbraw/zinc/14/40/10/1066144010.db2.gz PQUHUURUYHFQRT-LPHOPBHVSA-N 0 0 499.553 4.683 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)C(F)(F)F)o1 ZINC001442609785 1066144241 /nfs/dbraw/zinc/14/42/41/1066144241.db2.gz NZWBGKPHKPTJEG-NYHFZMIOSA-N 0 0 452.473 4.690 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)Oc1cccc(F)c1 ZINC001545950412 1066144302 /nfs/dbraw/zinc/14/43/02/1066144302.db2.gz PQUHUURUYHFQRT-QFBILLFUSA-N 0 0 499.553 4.683 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001360984073 1066144862 /nfs/dbraw/zinc/14/48/62/1066144862.db2.gz MDJXAFPVYLCZOX-HRAATJIYSA-N 0 0 474.049 4.861 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N(C)CCC2CCOCC2)nnc1C(C)(C)C ZINC001360984120 1066144947 /nfs/dbraw/zinc/14/49/47/1066144947.db2.gz NGMGDPUGEZPWCF-UHFFFAOYSA-N 0 0 462.038 4.819 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(C)CC1 ZINC001360984105 1066144950 /nfs/dbraw/zinc/14/49/50/1066144950.db2.gz NACIVCYRWMCGCO-UHFFFAOYSA-N 0 0 467.017 4.881 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442612052 1066144909 /nfs/dbraw/zinc/14/49/09/1066144909.db2.gz CVIIMHWXRGLGHN-NSISKUIASA-N 0 0 451.325 4.522 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360984236 1066145814 /nfs/dbraw/zinc/14/58/14/1066145814.db2.gz PYYBLTITCPVTCI-INIZCTEOSA-N 0 0 484.029 4.928 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360984386 1066146163 /nfs/dbraw/zinc/14/61/63/1066146163.db2.gz VHZHXWICENGLQM-GOSISDBHSA-N 0 0 488.970 4.736 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C(C)(C)C ZINC001360984473 1066146180 /nfs/dbraw/zinc/14/61/80/1066146180.db2.gz XXXAXEVMWJWJKY-LJQANCHMSA-N 0 0 462.038 4.818 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001442625560 1066146295 /nfs/dbraw/zinc/14/62/95/1066146295.db2.gz SDYINCKGMQNEOR-IBGZPJMESA-N 0 0 452.473 4.938 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)c1csc(I)n1 ZINC001360984616 1066146696 /nfs/dbraw/zinc/14/66/96/1066146696.db2.gz BZLGHDYKIKHDNP-UHFFFAOYSA-N 0 0 458.502 4.521 20 0 JJADRN CN(C(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001360984617 1066146708 /nfs/dbraw/zinc/14/67/08/1066146708.db2.gz BZTQFUKDAJPBPA-GOSISDBHSA-N 0 0 452.860 4.534 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001360985292 1066147203 /nfs/dbraw/zinc/14/72/03/1066147203.db2.gz XBKZVDFNXIIEQU-JOCHJYFZSA-N 0 0 452.913 4.936 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)C ZINC001360985554 1066147825 /nfs/dbraw/zinc/14/78/25/1066147825.db2.gz FCKXTFPAUZNBRQ-OAQYLSRUSA-N 0 0 498.672 4.740 20 0 JJADRN CNc1cc(I)ccc1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC001442658521 1066148056 /nfs/dbraw/zinc/14/80/56/1066148056.db2.gz NINYARDNSLINJC-UHFFFAOYSA-N 0 0 450.198 4.526 20 0 JJADRN O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442665074 1066148820 /nfs/dbraw/zinc/14/88/20/1066148820.db2.gz HQPOZTDLYMMYKZ-CQSZACIVSA-N 0 0 455.139 4.617 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H]1C ZINC001360985935 1066149637 /nfs/dbraw/zinc/14/96/37/1066149637.db2.gz PEEFVBRSSZYOCJ-CTNGQTDRSA-N 0 0 496.656 4.665 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442670302 1066149927 /nfs/dbraw/zinc/14/99/27/1066149927.db2.gz VCHHJCMQFCTIPY-QZTJIDSGSA-N 0 0 459.167 4.780 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CCCO1 ZINC001360986299 1066150791 /nfs/dbraw/zinc/15/07/91/1066150791.db2.gz AGDRRIPIFKCQMH-FUHWJXTLSA-N 0 0 493.439 4.891 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N(CC)C[C@H](O)c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545950811 1066151932 /nfs/dbraw/zinc/15/19/32/1066151932.db2.gz WNBBCWORTRPSKT-SFTDATJTSA-N 0 0 459.635 4.573 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1CC[C@H]1CCOC1 ZINC001360986390 1066151991 /nfs/dbraw/zinc/15/19/91/1066151991.db2.gz CDJFVYBPZAQJAR-OALUTQOASA-N 0 0 471.005 4.541 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCCO1 ZINC001360986459 1066152120 /nfs/dbraw/zinc/15/21/20/1066152120.db2.gz DIVULVRGYHJQBT-DENIHFKCSA-N 0 0 487.048 4.899 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC001442701457 1066152514 /nfs/dbraw/zinc/15/25/14/1066152514.db2.gz JNQUBPYYHCDXND-UHFFFAOYSA-N 0 0 454.482 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001442700392 1066152547 /nfs/dbraw/zinc/15/25/47/1066152547.db2.gz YPMGMFBVVYLGIG-PNYFIKQUSA-N 0 0 452.517 4.961 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360986481 1066152597 /nfs/dbraw/zinc/15/25/97/1066152597.db2.gz DUZHRZHKXFMBHU-PGRDOPGGSA-N 0 0 453.631 4.518 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CCc4cc(C(C)(C)C)ccc4C3)cc2CN1C(=O)OC(C)(C)C ZINC001442707075 1066153074 /nfs/dbraw/zinc/15/30/74/1066153074.db2.gz WKQAXZJVPJJEDB-KRWDZBQOSA-N 0 0 452.599 4.518 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001442708188 1066153202 /nfs/dbraw/zinc/15/32/02/1066153202.db2.gz LNLAZZJDCIMRBQ-AEFFLSMTSA-N 0 0 458.274 4.874 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cccs2)n1C[C@@]1(C)CN(C)C1=O ZINC001360986631 1066153222 /nfs/dbraw/zinc/15/32/22/1066153222.db2.gz ISJOSRSKOMAIMI-MZNJEOGPSA-N 0 0 488.057 4.865 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1CC[C@@H](C)C1 ZINC001360986612 1066153249 /nfs/dbraw/zinc/15/32/49/1066153249.db2.gz IMHHXTZVOQUSGN-HUYLIWGRSA-N 0 0 497.105 4.994 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001442708495 1066153608 /nfs/dbraw/zinc/15/36/08/1066153608.db2.gz MHXASRADPSRMBT-HXUWFJFHSA-N 0 0 458.331 4.689 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001442708967 1066153671 /nfs/dbraw/zinc/15/36/71/1066153671.db2.gz NOZBTDDMHRITRU-BCHFMIIMSA-N 0 0 453.583 4.950 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CCCC(=O)NC1CC1 ZINC001360986666 1066153694 /nfs/dbraw/zinc/15/36/94/1066153694.db2.gz JNOHEVKYOZQMCA-FXAWDEMLSA-N 0 0 492.089 4.689 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 ZINC001442710968 1066154241 /nfs/dbraw/zinc/15/42/41/1066154241.db2.gz SKGQCXAHZQVRRK-UHFFFAOYSA-N 0 0 456.546 4.554 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCC2)n1CC(=O)NCc1ccco1 ZINC001360986739 1066154348 /nfs/dbraw/zinc/15/43/48/1066154348.db2.gz KYHGNWUHTHCQQH-QGZVFWFLSA-N 0 0 471.989 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2nccs2)n1CCc1ccn(C)n1 ZINC001360986825 1066155186 /nfs/dbraw/zinc/15/51/86/1066155186.db2.gz MXNVFILTYUPLQR-QGZVFWFLSA-N 0 0 486.045 4.757 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360986823 1066155211 /nfs/dbraw/zinc/15/52/11/1066155211.db2.gz MXHJXOCYERZOOZ-RRQZXNHTSA-N 0 0 487.048 4.609 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2nccs2)n1Cc1cnn(C)c1 ZINC001360986833 1066155240 /nfs/dbraw/zinc/15/52/40/1066155240.db2.gz NHDAZFPLXSBNBT-MRXNPFEDSA-N 0 0 472.018 4.563 20 0 JJADRN O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC001442720909 1066155334 /nfs/dbraw/zinc/15/53/34/1066155334.db2.gz CURDDKDRDCIKCC-INIZCTEOSA-N 0 0 450.391 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cscn2)n1CCc1cn[nH]c1 ZINC001360986919 1066155620 /nfs/dbraw/zinc/15/56/20/1066155620.db2.gz PGOZKVFNMUCYNH-INIZCTEOSA-N 0 0 472.018 4.747 20 0 JJADRN COc1ccc(C2(NC(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)CCCC2)cc1 ZINC001442726672 1066155635 /nfs/dbraw/zinc/15/56/35/1066155635.db2.gz XGJCNNZCOPQTKV-UHFFFAOYSA-N 0 0 458.484 4.740 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC1=CCCOC1 ZINC001360986897 1066155683 /nfs/dbraw/zinc/15/56/83/1066155683.db2.gz OMTGGHHAAMDWIC-XLIONFOSSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CCN1CCOC(C)(C)C1 ZINC001360986986 1066155956 /nfs/dbraw/zinc/15/59/56/1066155956.db2.gz QHWSGGLMTWOABR-IBGZPJMESA-N 0 0 476.065 4.788 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001442743647 1066156356 /nfs/dbraw/zinc/15/63/56/1066156356.db2.gz MGHMWWJEVJZFQF-UHFFFAOYSA-N 0 0 456.518 4.823 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1[C@@H]1C[C@H]1C ZINC001360987074 1066156642 /nfs/dbraw/zinc/15/66/42/1066156642.db2.gz RQXJATVWWGHCBW-SPTUJORTSA-N 0 0 469.051 4.527 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCCn1cnnn1 ZINC001360987124 1066156976 /nfs/dbraw/zinc/15/69/76/1066156976.db2.gz SRRBSMYNUJIIQL-VQTJNVASSA-N 0 0 485.036 4.558 20 0 JJADRN O=C(CCC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC001442756445 1066157125 /nfs/dbraw/zinc/15/71/25/1066157125.db2.gz IFBQDAHRRGACQZ-UHFFFAOYSA-N 0 0 455.363 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC001442759729 1066157555 /nfs/dbraw/zinc/15/75/55/1066157555.db2.gz MECJZPIHENYGFB-PMACEKPBSA-N 0 0 454.571 4.827 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@H](C)Nc2ccnn21 ZINC001442760776 1066157573 /nfs/dbraw/zinc/15/75/73/1066157573.db2.gz CHWAYLNTSRYBMR-UXLLHSPISA-N 0 0 452.946 4.594 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001442761145 1066157903 /nfs/dbraw/zinc/15/79/03/1066157903.db2.gz FTQWSKUIWQLSLH-LJQANCHMSA-N 0 0 457.785 4.605 20 0 JJADRN CCOc1ccc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)cc1OC ZINC001442764113 1066158262 /nfs/dbraw/zinc/15/82/62/1066158262.db2.gz HUZRKJOIOUMELN-WBWVDOBWSA-N 0 0 450.601 4.602 20 0 JJADRN CCOc1ccc(NC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)cc1OC ZINC001442764110 1066158278 /nfs/dbraw/zinc/15/82/78/1066158278.db2.gz HUZRKJOIOUMELN-FXVOITISSA-N 0 0 450.601 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCC2)n1CC1CCS(=O)(=O)CC1 ZINC001360987442 1066158350 /nfs/dbraw/zinc/15/83/50/1066158350.db2.gz YBSZRGAKQHIJHT-SFHVURJKSA-N 0 0 495.089 4.749 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)C2CC2)cc1 ZINC001442767545 1066158555 /nfs/dbraw/zinc/15/85/55/1066158555.db2.gz OMGPRHSLISDYMD-UHFFFAOYSA-N 0 0 459.546 4.612 20 0 JJADRN COCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001442768731 1066159031 /nfs/dbraw/zinc/15/90/31/1066159031.db2.gz ZPMUQMLYOTWUOC-UHFFFAOYSA-N 0 0 450.579 4.860 20 0 JJADRN CN(C(=O)c1cccc(OCc2cccc(Cl)c2)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360988692 1066159106 /nfs/dbraw/zinc/15/91/06/1066159106.db2.gz NFRGLOGGPVSESE-HSZRJFAPSA-N 0 0 452.913 4.936 20 0 JJADRN CN(C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360989035 1066159443 /nfs/dbraw/zinc/15/94/43/1066159443.db2.gz XDHFFADJCSCNNQ-FQEVSTJZSA-N 0 0 459.949 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CC[S@](=O)C(C)(C)C ZINC001360989189 1066159446 /nfs/dbraw/zinc/15/94/46/1066159446.db2.gz AIRJDCVNQLNQNN-ZOKDDAQRSA-N 0 0 453.052 4.836 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)OC2CCCC2)n1CCCN1CCOC1=O ZINC001360989215 1066159808 /nfs/dbraw/zinc/15/98/08/1066159808.db2.gz AUROTRQRSIQVLJ-GOSISDBHSA-N 0 0 492.020 4.841 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC(C)(C)C(C)C ZINC001360989255 1066160041 /nfs/dbraw/zinc/16/00/41/1066160041.db2.gz BQVQZSWLGRBVQU-AZUAARDMSA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCOC(C)(C)C)n1CC1(C)COC1 ZINC001360989232 1066160070 /nfs/dbraw/zinc/16/00/70/1066160070.db2.gz BDFRWKOGPVBTGY-SFHVURJKSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC(C)(C)C(C)C ZINC001360989257 1066160081 /nfs/dbraw/zinc/16/00/81/1066160081.db2.gz BQVQZSWLGRBVQU-QUCCMNQESA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCSC(C)C ZINC001360989334 1066160463 /nfs/dbraw/zinc/16/04/63/1066160463.db2.gz CQMNRYJUDWJVEK-HBFSDRIKSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCSC(C)C ZINC001360989333 1066160498 /nfs/dbraw/zinc/16/04/98/1066160498.db2.gz CQMNRYJUDWJVEK-GGPKGHCWSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1ccn(C)n1 ZINC001360989313 1066160516 /nfs/dbraw/zinc/16/05/16/1066160516.db2.gz CLAZBYYRBUYDRL-ATZDWAIDSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCSC(C)C ZINC001360989335 1066160526 /nfs/dbraw/zinc/16/05/26/1066160526.db2.gz CQMNRYJUDWJVEK-QWFCFKBJSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCOCCCO ZINC001360989345 1066160730 /nfs/dbraw/zinc/16/07/30/1066160730.db2.gz CUDIVTCCPUYGOQ-FFZOFVMBSA-N 0 0 465.038 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@]1(C)CCCS1 ZINC001360989549 1066162126 /nfs/dbraw/zinc/16/21/26/1066162126.db2.gz HBRSEIKQKNEJRS-GGUMNFRJSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)F)n1CCc1cn[nH]c1 ZINC001360989562 1066162163 /nfs/dbraw/zinc/16/21/63/1066162163.db2.gz HGKVPNQZOHXCFU-OAHLLOKOSA-N 0 0 452.937 4.746 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360989701 1066163148 /nfs/dbraw/zinc/16/31/48/1066163148.db2.gz JKSHVEBTBXJUOM-SJLPKXTDSA-N 0 0 452.933 4.879 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCCS(C)(=O)=O ZINC001360989772 1066163513 /nfs/dbraw/zinc/16/35/13/1066163513.db2.gz KLSDATCDXYXEEN-WSTZPKSXSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC3(CCCC3)C2)n1CCC(=O)N(C)C ZINC001360989923 1066164552 /nfs/dbraw/zinc/16/45/52/1066164552.db2.gz NBKNJOYIJLGDAZ-IBGZPJMESA-N 0 0 474.049 4.937 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCOC(C)C ZINC001360990039 1066165213 /nfs/dbraw/zinc/16/52/13/1066165213.db2.gz PENBCPBPMLRBOG-CTNGQTDRSA-N 0 0 488.036 4.546 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1Cc1ccc(C)n(C)c1=O ZINC001360990079 1066165708 /nfs/dbraw/zinc/16/57/08/1066165708.db2.gz PRESSZNGAIXHEO-IBGZPJMESA-N 0 0 468.001 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCC2)n1C[C@]1(C)CN(C)C1=O ZINC001360990180 1066166214 /nfs/dbraw/zinc/16/62/14/1066166214.db2.gz QRJMIUWKDUJTNP-KOSHJBKYSA-N 0 0 460.022 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCC(C)(F)F ZINC001360990283 1066167219 /nfs/dbraw/zinc/16/72/19/1066167219.db2.gz RYZCFOFNIJLVHP-GOSISDBHSA-N 0 0 486.007 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCn1cncn1 ZINC001360990292 1066167280 /nfs/dbraw/zinc/16/72/80/1066167280.db2.gz SEANUJRDBDZYPG-OALUTQOASA-N 0 0 472.037 4.852 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)OC2CCCC2)n1CC1(O)CCOCC1 ZINC001360990528 1066167941 /nfs/dbraw/zinc/16/79/41/1066167941.db2.gz WVOLUMXPIIRHNN-SFHVURJKSA-N 0 0 479.021 4.540 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC(C)C ZINC001360990583 1066168206 /nfs/dbraw/zinc/16/82/06/1066168206.db2.gz XOUZLMBPMGQRPT-RBUKOAKNSA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC(=O)NC(C)C ZINC001360990558 1066168222 /nfs/dbraw/zinc/16/82/22/1066168222.db2.gz XKKQNWHIMDABHG-OAHLLOKOSA-N 0 0 475.943 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1CCCC1 ZINC001360990562 1066168250 /nfs/dbraw/zinc/16/82/50/1066168250.db2.gz XKRHCIICGWCFOQ-PKOBYXMFSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CC1CC1 ZINC001360990622 1066168513 /nfs/dbraw/zinc/16/85/13/1066168513.db2.gz YFXGMNRDINDBDN-QGZVFWFLSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCOC(C)(C)C ZINC001360990620 1066168521 /nfs/dbraw/zinc/16/85/21/1066168521.db2.gz YFJNJWNBFMQEST-RTBURBONSA-N 0 0 492.064 4.595 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCCC(=O)N(C)C ZINC001360990665 1066168750 /nfs/dbraw/zinc/16/87/50/1066168750.db2.gz YUPXGJAGBOZAGL-RLLQIKCJSA-N 0 0 474.049 4.649 20 0 JJADRN CCCc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cnn1C1CCCC1 ZINC001360990965 1066169290 /nfs/dbraw/zinc/16/92/90/1066169290.db2.gz HTCFYVKPURRRLG-GOSISDBHSA-N 0 0 457.018 4.520 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCCC(=O)N(C)C ZINC001360990839 1066169293 /nfs/dbraw/zinc/16/92/93/1066169293.db2.gz ZYJCYZQRPJWQLP-AZUAARDMSA-N 0 0 474.049 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOCCC(C)C ZINC001360991424 1066169780 /nfs/dbraw/zinc/16/97/80/1066169780.db2.gz CBCWQMZLXAIGGF-ZNLUXHQJSA-N 0 0 479.065 4.958 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2ccn(C)n2)n1CCC(=O)N1CCCCC1 ZINC001360991445 1066169785 /nfs/dbraw/zinc/16/97/85/1066169785.db2.gz CNTQZQMKWRSDIV-GOSISDBHSA-N 0 0 486.020 4.568 20 0 JJADRN C[C@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360991698 1066170542 /nfs/dbraw/zinc/17/05/42/1066170542.db2.gz WUNDQNSMOGKDEP-KRWDZBQOSA-N 0 0 455.385 4.991 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCSC(C)C ZINC001360991947 1066170776 /nfs/dbraw/zinc/17/07/76/1066170776.db2.gz HHEBDIVSWYUZFG-GOSISDBHSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360992199 1066171034 /nfs/dbraw/zinc/17/10/34/1066171034.db2.gz KNTVUAPBEMLZBT-AEDWNXJWSA-N 0 0 450.986 4.908 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCOCC2)n1CCCOC(F)F ZINC001360992127 1066171041 /nfs/dbraw/zinc/17/10/41/1066171041.db2.gz IYZPENJYTBLMLB-INIZCTEOSA-N 0 0 458.937 4.544 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@](C)(O)C(C)C ZINC001360992381 1066171839 /nfs/dbraw/zinc/17/18/39/1066171839.db2.gz NNPLOSQYSGIAOI-DZRGJMJISA-N 0 0 479.065 4.957 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CC1=CCCCC1 ZINC001360992553 1066172004 /nfs/dbraw/zinc/17/20/04/1066172004.db2.gz PMWPPMHMGZZTBQ-SFHVURJKSA-N 0 0 463.047 4.757 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360992693 1066172322 /nfs/dbraw/zinc/17/23/22/1066172322.db2.gz RFYKNPPVCHOKRS-MOPGFXCFSA-N 0 0 487.048 4.897 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001360993039 1066172938 /nfs/dbraw/zinc/17/29/38/1066172938.db2.gz XBVOPUZVKUKFMC-XUVXKRRUSA-N 0 0 477.049 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001360993169 1066173304 /nfs/dbraw/zinc/17/33/04/1066173304.db2.gz ZRBGXDWZMNBMKB-LJQANCHMSA-N 0 0 499.059 4.813 20 0 JJADRN CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001360993669 1066173376 /nfs/dbraw/zinc/17/33/76/1066173376.db2.gz NCSYWAWXUMSTHV-QGZVFWFLSA-N 0 0 455.274 4.736 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001360993168 1066173400 /nfs/dbraw/zinc/17/34/00/1066173400.db2.gz ZRBGXDWZMNBMKB-IBGZPJMESA-N 0 0 499.059 4.813 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(C)C)CC2)c(C)o1 ZINC001360994710 1066173786 /nfs/dbraw/zinc/17/37/86/1066173786.db2.gz XXVWHDTULOSYQB-UHFFFAOYSA-N 0 0 469.655 4.785 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Cc3cccs3)CC2)no1 ZINC001360994916 1066174050 /nfs/dbraw/zinc/17/40/50/1066174050.db2.gz FIVGJSTZOBJQBN-KRWDZBQOSA-N 0 0 484.670 4.502 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Cc3cccs3)CC2)no1 ZINC001360994917 1066174088 /nfs/dbraw/zinc/17/40/88/1066174088.db2.gz FIVGJSTZOBJQBN-QGZVFWFLSA-N 0 0 484.670 4.502 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C(F)(F)F)CC2)no1 ZINC001360994860 1066174096 /nfs/dbraw/zinc/17/40/96/1066174096.db2.gz CDTNTBMWVYXEBV-UHFFFAOYSA-N 0 0 490.530 4.537 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC(F)(F)C3)CC2)c(C)o1 ZINC001360995612 1066174532 /nfs/dbraw/zinc/17/45/32/1066174532.db2.gz YZOXJUXTPBSDCK-SFHVURJKSA-N 0 0 463.573 4.521 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)o1 ZINC001360997270 1066175944 /nfs/dbraw/zinc/17/59/44/1066175944.db2.gz FCUUWQVPECCSOH-BWKNWUBXSA-N 0 0 490.551 4.698 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCSCC2)c(C)o1 ZINC001360997496 1066176127 /nfs/dbraw/zinc/17/61/27/1066176127.db2.gz IOTLGQINJCHZTK-NBGIEHNGSA-N 0 0 470.639 4.706 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCS[C@@H](C)C2)c(C)o1 ZINC001360997852 1066176592 /nfs/dbraw/zinc/17/65/92/1066176592.db2.gz PEYNLWZQWGIZBQ-OYHNWAKOSA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](C)C2)c(C)o1 ZINC001360997891 1066176801 /nfs/dbraw/zinc/17/68/01/1066176801.db2.gz PTZFCWQBTDGEQO-FATZIPQQSA-N 0 0 473.415 4.980 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(C)o1 ZINC001360998373 1066177726 /nfs/dbraw/zinc/17/77/26/1066177726.db2.gz ZZHHLEIISJXUHJ-ATVOGRQSSA-N 0 0 496.652 4.695 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)o1 ZINC001360998420 1066177732 /nfs/dbraw/zinc/17/77/32/1066177732.db2.gz BGDZPJFVMYEDTN-AEGMSTANSA-N 0 0 470.639 4.598 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCOC2)c(C)o1 ZINC001360998330 1066177735 /nfs/dbraw/zinc/17/77/35/1066177735.db2.gz ZFYBMLHAYIWDLV-OSWQYVSFSA-N 0 0 489.016 4.662 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@H](C)C2)c(C)o1 ZINC001360998334 1066177769 /nfs/dbraw/zinc/17/77/69/1066177769.db2.gz ZGRRIBQGFMSHEL-SPLOXXLWSA-N 0 0 495.443 4.502 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001360998560 1066178022 /nfs/dbraw/zinc/17/80/22/1066178022.db2.gz DCQNJERVSPXWMF-JOCHJYFZSA-N 0 0 460.003 4.752 20 0 JJADRN C=CC(=O)Nc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cc1 ZINC001360999724 1066178163 /nfs/dbraw/zinc/17/81/63/1066178163.db2.gz PPPBASOXIMJOLB-UHFFFAOYSA-N 0 0 450.560 4.775 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)o1 ZINC001360999599 1066178165 /nfs/dbraw/zinc/17/81/65/1066178165.db2.gz NGDLOSKFOPJVOV-KKSFZXQISA-N 0 0 499.559 4.749 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3C)nnc2N(C)CCC2CCOCC2)c(C)o1 ZINC001360999885 1066178403 /nfs/dbraw/zinc/17/84/03/1066178403.db2.gz PJHBPYONISBBKR-SANMLTNESA-N 0 0 452.599 4.624 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000672 1066178799 /nfs/dbraw/zinc/17/87/99/1066178799.db2.gz XWAQZMHCXAHYEQ-DFBJGRDBSA-N 0 0 490.551 4.527 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC001361000829 1066178814 /nfs/dbraw/zinc/17/88/14/1066178814.db2.gz AZIDUWUIVKELOA-KSSFIOAISA-N 0 0 459.686 4.552 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000674 1066178826 /nfs/dbraw/zinc/17/88/26/1066178826.db2.gz XWAQZMHCXAHYEQ-UQBPGWFLSA-N 0 0 490.551 4.527 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361002150 1066179114 /nfs/dbraw/zinc/17/91/14/1066179114.db2.gz BCJPSLKOEDYUPB-IZHWHUGBSA-N 0 0 457.644 4.624 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC001361002379 1066179276 /nfs/dbraw/zinc/17/92/76/1066179276.db2.gz DGYVUOBQLVPXSQ-QLODZENZSA-N 0 0 456.562 4.596 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361002558 1066179567 /nfs/dbraw/zinc/17/95/67/1066179567.db2.gz FPCVVDGLSOYETD-HSZRJFAPSA-N 0 0 472.014 4.733 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 ZINC001361002757 1066179744 /nfs/dbraw/zinc/17/97/44/1066179744.db2.gz HOCMUZORQGYILG-QUGAMOGWSA-N 0 0 454.590 4.998 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)c(C)o1 ZINC001361003015 1066180003 /nfs/dbraw/zinc/18/00/03/1066180003.db2.gz MOAJTUIZLIMZQV-MHECFPHRSA-N 0 0 491.057 4.814 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2Cc3cccc(Br)c3C2)c(C)o1 ZINC001361003011 1066180027 /nfs/dbraw/zinc/18/00/27/1066180027.db2.gz MNPBPQGLDDHUNX-HSZRJFAPSA-N 0 0 473.415 4.877 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001361003106 1066180239 /nfs/dbraw/zinc/18/02/39/1066180239.db2.gz OIKTVWZITUPXJF-VWLOTQADSA-N 0 0 484.000 4.881 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(F)F)C2)c(C)o1 ZINC001361003024 1066180255 /nfs/dbraw/zinc/18/02/55/1066180255.db2.gz MTTKEYYWDOTUKF-JTSKRJEESA-N 0 0 450.555 4.529 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361003045 1066180261 /nfs/dbraw/zinc/18/02/61/1066180261.db2.gz NAMWDYBEKJSDQB-HSZRJFAPSA-N 0 0 472.014 4.733 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C(F)(F)F)CC2)c(C)o1 ZINC001361003352 1066181039 /nfs/dbraw/zinc/18/10/39/1066181039.db2.gz SJCMMRGAKVXEPR-QHCPKHFHSA-N 0 0 496.505 4.892 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCCc3ccccc3)nnc2N(C)Cc2cscn2)c(C)o1 ZINC001361003681 1066181434 /nfs/dbraw/zinc/18/14/34/1066181434.db2.gz ZBHVQPMCMUNITF-RUZDIDTESA-N 0 0 465.623 4.664 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCC(OCCc4ccccc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361003610 1066181512 /nfs/dbraw/zinc/18/15/12/1066181512.db2.gz XUAJHRGZKUJLBD-NDEPHWFRSA-N 0 0 480.653 4.921 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)c(C)o1 ZINC001361004955 1066183084 /nfs/dbraw/zinc/18/30/84/1066183084.db2.gz WFEQKFJGTRJFKK-XCANBJIFSA-N 0 0 487.645 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H](C)c2cccc(C)c2)o1 ZINC001361005032 1066183561 /nfs/dbraw/zinc/18/35/61/1066183561.db2.gz XPFWYNILJGTRFM-QGZVFWFLSA-N 0 0 479.522 4.981 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCOC2)c1 ZINC001361005086 1066183564 /nfs/dbraw/zinc/18/35/64/1066183564.db2.gz YNJUZFQYVFLYOY-SJORKVTESA-N 0 0 458.404 4.621 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001361006673 1066184630 /nfs/dbraw/zinc/18/46/30/1066184630.db2.gz VHKXQGRSPCNEJY-AWEZNQCLSA-N 0 0 450.482 4.964 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361006801 1066185175 /nfs/dbraw/zinc/18/51/75/1066185175.db2.gz ANWHFPBMYFCBJF-QPPBQGQZSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361006804 1066185196 /nfs/dbraw/zinc/18/51/96/1066185196.db2.gz ANWHFPBMYFCBJF-XUZZJYLKSA-N 0 0 490.652 4.822 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001361006692 1066185216 /nfs/dbraw/zinc/18/52/16/1066185216.db2.gz VRFBAWQFOUEIIU-LJQANCHMSA-N 0 0 459.521 4.813 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(N(C)Cc3cscn3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361006697 1066185243 /nfs/dbraw/zinc/18/52/43/1066185243.db2.gz ABWCNVRSTSHASR-CYFREDJKSA-N 0 0 455.628 4.524 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361006723 1066185275 /nfs/dbraw/zinc/18/52/75/1066185275.db2.gz WGBQVXKRPJGVGD-HOYKHHGWSA-N 0 0 456.608 4.607 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(N(C)Cc3cscn3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361006700 1066185319 /nfs/dbraw/zinc/18/53/19/1066185319.db2.gz ABWCNVRSTSHASR-YADARESESA-N 0 0 455.628 4.524 20 0 JJADRN Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001361007776 1066186994 /nfs/dbraw/zinc/18/69/94/1066186994.db2.gz PLMHMVQPJHLHRF-KRWDZBQOSA-N 0 0 467.536 4.655 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001361007538 1066187039 /nfs/dbraw/zinc/18/70/39/1066187039.db2.gz NFOJKXPPOBQHHC-ZBFHGGJFSA-N 0 0 458.488 4.536 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361007466 1066187048 /nfs/dbraw/zinc/18/70/48/1066187048.db2.gz LOEDDYJEJTWSBQ-VQTJNVASSA-N 0 0 453.631 4.788 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CCN(Cc2cscn2)CC1 ZINC001361007908 1066187493 /nfs/dbraw/zinc/18/74/93/1066187493.db2.gz DJHDPTAGDPYQJY-UHFFFAOYSA-N 0 0 478.588 4.631 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC001361008094 1066188143 /nfs/dbraw/zinc/18/81/43/1066188143.db2.gz UAEOPYMXMLQRLG-GOTSBHOMSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nccs1 ZINC001361008214 1066188648 /nfs/dbraw/zinc/18/86/48/1066188648.db2.gz JIWOJTJFUXKAFP-KRWDZBQOSA-N 0 0 451.518 4.988 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001361008303 1066188704 /nfs/dbraw/zinc/18/87/04/1066188704.db2.gz WINYTFHZBGNSMY-FQOCKNPQSA-N 0 0 483.657 4.791 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001361008237 1066188720 /nfs/dbraw/zinc/18/87/20/1066188720.db2.gz JXIUOTNPBTZCAF-UUOWRZLLSA-N 0 0 496.574 4.698 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001361008343 1066189310 /nfs/dbraw/zinc/18/93/10/1066189310.db2.gz WQWMQEVFKLVQFM-GOSISDBHSA-N 0 0 461.532 4.682 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001361008510 1066189848 /nfs/dbraw/zinc/18/98/48/1066189848.db2.gz YEHWQVGFNRCANP-QGZVFWFLSA-N 0 0 467.536 4.703 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC001361008693 1066190620 /nfs/dbraw/zinc/19/06/20/1066190620.db2.gz ZQZWEAHCCUWBAW-XZOQPEGZSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C ZINC001361008866 1066190858 /nfs/dbraw/zinc/19/08/58/1066190858.db2.gz WFWCBLRHGHTSOR-UHFFFAOYSA-N 0 0 476.522 4.812 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001361008810 1066190904 /nfs/dbraw/zinc/19/09/04/1066190904.db2.gz UJLPGYDPHATXLE-XYPHTWIQSA-N 0 0 478.437 4.661 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1)c1ccccc1 ZINC001361009233 1066191673 /nfs/dbraw/zinc/19/16/73/1066191673.db2.gz HPPIBGXPPPKYFY-QZTJIDSGSA-N 0 0 452.551 4.625 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NC[C@@H]1SCCc3ccccc31)N2C(=O)OC(C)(C)C ZINC001361009857 1066192044 /nfs/dbraw/zinc/19/20/44/1066192044.db2.gz ISJOCMQNKXTVKU-YADHBBJMSA-N 0 0 456.583 4.947 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOC(C)(C)C2)c(C)c1 ZINC001361011291 1066193982 /nfs/dbraw/zinc/19/39/82/1066193982.db2.gz OBUVBGILEYNSHL-UHFFFAOYSA-N 0 0 483.060 4.514 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@H](c2ccco2)[NH+](C)C)o1 ZINC001361012025 1066196034 /nfs/dbraw/zinc/19/60/34/1066196034.db2.gz MKFZYPUUJJEIAS-OAQYLSRUSA-N 0 0 490.608 4.743 20 0 JJADRN Cc1cc(C)c(Cn2c(N3CCO[C@@H](C(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011948 1066196046 /nfs/dbraw/zinc/19/60/46/1066196046.db2.gz KEWUUNWEKOEZCY-KCWPFWIISA-N 0 0 470.658 4.544 20 0 JJADRN Cc1nnc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1CC1CCC(C(F)(F)F)CC1 ZINC001361011899 1066196052 /nfs/dbraw/zinc/19/60/52/1066196052.db2.gz IOVMWOZGGPLECP-UHFFFAOYSA-N 0 0 451.537 4.955 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N(C)CC(=O)Nc3c(C)cc(C)cc3C)nnc2C(C)(C)C)c(C)o1 ZINC001361011915 1066196062 /nfs/dbraw/zinc/19/60/62/1066196062.db2.gz JEFUBJSDKPGATL-HHHXNRCGSA-N 0 0 481.641 4.693 20 0 JJADRN Cc1cc(C)c(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c(C)c1 ZINC001361012060 1066196821 /nfs/dbraw/zinc/19/68/21/1066196821.db2.gz NITIZPARTBUZFL-OAQYLSRUSA-N 0 0 473.543 4.785 20 0 JJADRN Cc1cc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361012048 1066196875 /nfs/dbraw/zinc/19/68/75/1066196875.db2.gz NDBFCEATPMTZFT-HSZRJFAPSA-N 0 0 490.652 4.683 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3c(C)cc(C)cc3C)CC2)sc1C ZINC001361012252 1066197407 /nfs/dbraw/zinc/19/74/07/1066197407.db2.gz VFGRZVIFTNAZCU-UHFFFAOYSA-N 0 0 452.672 4.949 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)sc1C ZINC001361014061 1066199574 /nfs/dbraw/zinc/19/95/74/1066199574.db2.gz FPBWMNZISFLNDZ-UHFFFAOYSA-N 0 0 468.671 4.793 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC001361014662 1066201805 /nfs/dbraw/zinc/20/18/05/1066201805.db2.gz RTRHOECLSXDWGM-QGZVFWFLSA-N 0 0 452.628 4.724 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](C)c2nccs2)c(C)c1 ZINC001361015042 1066202158 /nfs/dbraw/zinc/20/21/58/1066202158.db2.gz XOLYUWZWLYUZQH-LJQANCHMSA-N 0 0 454.644 4.737 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)c1 ZINC001361015206 1066203352 /nfs/dbraw/zinc/20/33/52/1066203352.db2.gz QIPYWAYRORUTGM-LJQANCHMSA-N 0 0 458.404 4.510 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001361016232 1066203776 /nfs/dbraw/zinc/20/37/76/1066203776.db2.gz IZYHURUIHIBZQP-UHFFFAOYSA-N 0 0 457.324 4.693 20 0 JJADRN COc1ccccc1OCCC(=O)N(c1ccc(CNC(=O)OC(C)(C)C)cc1C)C1CC1 ZINC001361015796 1066203885 /nfs/dbraw/zinc/20/38/85/1066203885.db2.gz AAINXPYKOIRVQJ-UHFFFAOYSA-N 0 0 454.567 4.993 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC001361016342 1066204396 /nfs/dbraw/zinc/20/43/96/1066204396.db2.gz MORJOPRSSQUSHP-HXUWFJFHSA-N 0 0 457.573 4.603 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC001361016504 1066204508 /nfs/dbraw/zinc/20/45/08/1066204508.db2.gz CMZFYXFULIMEBI-QGZVFWFLSA-N 0 0 465.545 4.753 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)s1 ZINC001361016762 1066204916 /nfs/dbraw/zinc/20/49/16/1066204916.db2.gz TVBQRYWHSJBTGH-UHFFFAOYSA-N 0 0 455.323 4.556 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361016719 1066205010 /nfs/dbraw/zinc/20/50/10/1066205010.db2.gz FXKUXTNLQXQMCC-QFIPXVFZSA-N 0 0 453.631 4.899 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N(C)CC(C)(C)CN2CCOCC2)c1 ZINC001361017112 1066205739 /nfs/dbraw/zinc/20/57/39/1066205739.db2.gz JOPCCMYMSVLJRL-UHFFFAOYSA-N 0 0 455.691 4.521 20 0 JJADRN Cc1cc(C)cc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccs2)c1 ZINC001361017393 1066206126 /nfs/dbraw/zinc/20/61/26/1066206126.db2.gz RPZGNMSFSWVSQN-UHFFFAOYSA-N 0 0 465.648 4.827 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001361017395 1066206377 /nfs/dbraw/zinc/20/63/77/1066206377.db2.gz RREGFCPPDGVOMA-JWQCQUIFSA-N 0 0 495.712 4.797 20 0 JJADRN Cc1cc(C)cc(CCn2c(Cc3ccncc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001361017484 1066206789 /nfs/dbraw/zinc/20/67/89/1066206789.db2.gz UJYDDPZEDBHLIJ-QFIPXVFZSA-N 0 0 490.652 4.569 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2CCSC(F)(F)F)c1 ZINC001361017919 1066207236 /nfs/dbraw/zinc/20/72/36/1066207236.db2.gz FVTJVZZXQKRCEU-IBGZPJMESA-N 0 0 494.587 4.974 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361018112 1066207354 /nfs/dbraw/zinc/20/73/54/1066207354.db2.gz ILXUTBYDIMBZFG-KNQAVFIVSA-N 0 0 469.630 4.718 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccc([S@](C)=O)cc2)c1 ZINC001361018354 1066208032 /nfs/dbraw/zinc/20/80/32/1066208032.db2.gz HCKZKBVPNDMYBX-XIFFEERXSA-N 0 0 459.571 4.558 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCC(C)CC1 ZINC001361019026 1066209330 /nfs/dbraw/zinc/20/93/30/1066209330.db2.gz VNCVSOJBZNCTIS-UHFFFAOYSA-N 0 0 450.631 4.887 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361020634 1066210412 /nfs/dbraw/zinc/21/04/12/1066210412.db2.gz BGCYWLXJIVCSGO-ZBLYBZFDSA-N 0 0 478.641 4.575 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(C)C)n2CCCn2cc(Br)cn2)c1 ZINC001361020654 1066210430 /nfs/dbraw/zinc/21/04/30/1066210430.db2.gz BWUOWZLBPNLSOE-UHFFFAOYSA-N 0 0 475.435 4.615 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)cs1 ZINC001361021171 1066213917 /nfs/dbraw/zinc/21/39/17/1066213917.db2.gz SEOMCGAXHWGGOQ-UHFFFAOYSA-N 0 0 464.639 4.879 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001361021147 1066213986 /nfs/dbraw/zinc/21/39/86/1066213986.db2.gz RLJHTQDATAZWFH-PMACEKPBSA-N 0 0 455.628 4.772 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361021363 1066214565 /nfs/dbraw/zinc/21/45/65/1066214565.db2.gz VUPNXZRIWQAOQM-FQEVSTJZSA-N 0 0 455.628 4.916 20 0 JJADRN NC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccc(Br)cc4s3)cc2)CC1 ZINC001361021848 1066215821 /nfs/dbraw/zinc/21/58/21/1066215821.db2.gz XWSLYSKEAUOPKO-UHFFFAOYSA-N 0 0 458.381 4.618 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361021924 1066215837 /nfs/dbraw/zinc/21/58/37/1066215837.db2.gz ALRHVXLYRDNEMK-KRWDZBQOSA-N 0 0 493.496 4.747 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361022085 1066216345 /nfs/dbraw/zinc/21/63/45/1066216345.db2.gz FODQKUQYZWZONS-UHFFFAOYSA-N 0 0 493.652 4.957 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001361022219 1066216954 /nfs/dbraw/zinc/21/69/54/1066216954.db2.gz JHWKMGGKNGRUFR-LJQANCHMSA-N 0 0 484.670 4.677 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)(F)F)c(C)o1 ZINC001361022297 1066217325 /nfs/dbraw/zinc/21/73/25/1066217325.db2.gz MDKJGKXGHRNLMD-QHCPKHFHSA-N 0 0 480.531 4.980 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361022411 1066217805 /nfs/dbraw/zinc/21/78/05/1066217805.db2.gz PUBZHMWJEHILGT-OAQYLSRUSA-N 0 0 458.672 4.868 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361022489 1066218157 /nfs/dbraw/zinc/21/81/57/1066218157.db2.gz SBVPXQVYYSREHJ-HXUWFJFHSA-N 0 0 489.542 4.941 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)nc(C)n1 ZINC001361022729 1066219129 /nfs/dbraw/zinc/21/91/29/1066219129.db2.gz AEBLHRGZNLTJEE-DEOSSOPVSA-N 0 0 450.970 4.652 20 0 JJADRN C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023370 1066219148 /nfs/dbraw/zinc/21/91/48/1066219148.db2.gz LITSYRCMXXVFPY-HJPURHCSSA-N 0 0 459.970 4.967 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361023737 1066220153 /nfs/dbraw/zinc/22/01/53/1066220153.db2.gz CLNIGHZKXVQZLW-PMACEKPBSA-N 0 0 479.591 4.840 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001442775210 1066220973 /nfs/dbraw/zinc/22/09/73/1066220973.db2.gz IRKPYYREXGXORO-OAQYLSRUSA-N 0 0 454.567 4.502 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC001361024068 1066221389 /nfs/dbraw/zinc/22/13/89/1066221389.db2.gz HBOBSKQAFQEMSC-MGPUTAFESA-N 0 0 495.571 4.752 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361024469 1066221944 /nfs/dbraw/zinc/22/19/44/1066221944.db2.gz MIPMXYBAGSXMKK-IRLDBZIGSA-N 0 0 471.646 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccncc2Cl)c1 ZINC001361024278 1066222178 /nfs/dbraw/zinc/22/21/78/1066222178.db2.gz KJJWVULXRMAYGP-OXJNMPFZSA-N 0 0 495.933 4.727 20 0 JJADRN CC(C)(C)OCc1cccc(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)c1 ZINC001442796205 1066222711 /nfs/dbraw/zinc/22/27/11/1066222711.db2.gz IFMPEMLIVRUBLQ-UHFFFAOYSA-N 0 0 454.445 4.748 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)O1 ZINC001546056196 1066222511 /nfs/dbraw/zinc/22/25/11/1066222511.db2.gz CEGIQLCGVFPCTM-SQJMNOBHSA-N 0 0 469.655 4.935 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@H]3c3ccc(Br)cc3)C2)c1 ZINC001453938152 1066222634 /nfs/dbraw/zinc/22/26/34/1066222634.db2.gz UHKATYKOYLTBRX-KNQAVFIVSA-N 0 0 455.396 4.892 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@H]2CCCCS2(=O)=O)c1 ZINC001361024706 1066222847 /nfs/dbraw/zinc/22/28/47/1066222847.db2.gz OVWIPHYILSQUNY-XMMPIXPASA-N 0 0 488.698 4.846 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)O1 ZINC001546056278 1066223229 /nfs/dbraw/zinc/22/32/29/1066223229.db2.gz DIFQCEQDWWNEOU-RQNQAMLKSA-N 0 0 456.631 4.825 20 0 JJADRN CC(C)(C)OCc1cccc(CNC(=O)c2ccnc(Cl)c2I)c1 ZINC001442798763 1066223353 /nfs/dbraw/zinc/22/33/53/1066223353.db2.gz NJTCZVXXFUPDTR-UHFFFAOYSA-N 0 0 458.727 4.585 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1 ZINC001361024940 1066223318 /nfs/dbraw/zinc/22/33/18/1066223318.db2.gz RMBULNZIVWKAJK-RDJZCZTQSA-N 0 0 462.463 4.675 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001453940797 1066223287 /nfs/dbraw/zinc/22/32/87/1066223287.db2.gz DAHFYWVLPMYRBK-PBHICJAKSA-N 0 0 455.368 4.556 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001453940803 1066223304 /nfs/dbraw/zinc/22/33/04/1066223304.db2.gz DAHFYWVLPMYRBK-RHSMWYFYSA-N 0 0 455.368 4.556 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)C2)c(O)cc1Cl ZINC001453944684 1066223836 /nfs/dbraw/zinc/22/38/36/1066223836.db2.gz LSFKFYCIKMYTTL-INIZCTEOSA-N 0 0 457.357 4.847 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)OC3CCCC3)n2CCC(=O)NC2CCCCC2)c1 ZINC001361025213 1066224052 /nfs/dbraw/zinc/22/40/52/1066224052.db2.gz YWFOOOHSCZTOSV-UHFFFAOYSA-N 0 0 469.630 4.623 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 ZINC001361025658 1066224571 /nfs/dbraw/zinc/22/45/71/1066224571.db2.gz KTOBOAMMEPPXLZ-YWZLYKJASA-N 0 0 450.398 4.774 20 0 JJADRN C[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccccn1 ZINC001442802964 1066224621 /nfs/dbraw/zinc/22/46/21/1066224621.db2.gz OCIOIVREMYZDSQ-VBKZILBWSA-N 0 0 456.315 4.583 20 0 JJADRN COc1ccc(CNC(=O)c2ccccc2COc2cccc(C=O)c2)cc1Br ZINC001442803104 1066224805 /nfs/dbraw/zinc/22/48/05/1066224805.db2.gz YZDAEGKRKVAGHJ-UHFFFAOYSA-N 0 0 454.320 4.779 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC001442805779 1066224922 /nfs/dbraw/zinc/22/49/22/1066224922.db2.gz AQBMGHSSZABINZ-NKELODKYSA-N 0 0 459.974 4.856 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(COC)CC2)O1 ZINC001546056597 1066224720 /nfs/dbraw/zinc/22/47/20/1066224720.db2.gz HWKRVPQHBHXAKK-BWKNWUBXSA-N 0 0 460.594 4.597 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)C2)c(O)cc1Cl ZINC001453953129 1066224869 /nfs/dbraw/zinc/22/48/69/1066224869.db2.gz XZTOVIYCAHZETB-DFBJGRDBSA-N 0 0 456.970 4.719 20 0 JJADRN COc1ccc(CNC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1Br ZINC001442803097 1066224956 /nfs/dbraw/zinc/22/49/56/1066224956.db2.gz YZADCQNIYBLYSE-UHFFFAOYSA-N 0 0 458.308 4.681 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1c2ccccc2nc2c1CN(C)CC2 ZINC001453956530 1066225403 /nfs/dbraw/zinc/22/54/03/1066225403.db2.gz WNJPOQPPSLEJBW-GOSISDBHSA-N 0 0 452.396 4.736 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001361026153 1066225328 /nfs/dbraw/zinc/22/53/28/1066225328.db2.gz ZVUZHMSLERYEMJ-INIZCTEOSA-N 0 0 459.359 4.569 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC001361026214 1066225639 /nfs/dbraw/zinc/22/56/39/1066225639.db2.gz BNOXNSWFMODJIS-RBZQAINGSA-N 0 0 455.526 4.768 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)cc1F ZINC001453968660 1066227040 /nfs/dbraw/zinc/22/70/40/1066227040.db2.gz DOWSPGIZPKGUBB-UHFFFAOYSA-N 0 0 456.562 4.946 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC(Oc2cccc(F)c2)CC1 ZINC001453973299 1066227517 /nfs/dbraw/zinc/22/75/17/1066227517.db2.gz PXVATMJMKQQYSE-CQSZACIVSA-N 0 0 451.325 4.555 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)c3ccc(SC(F)(F)F)nc3)CC2)c(OC)c1 ZINC001453975132 1066227685 /nfs/dbraw/zinc/22/76/85/1066227685.db2.gz DHJGNEWKJABUAC-UHFFFAOYSA-N 0 0 456.486 4.739 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)Nc2cc(C)nn2-c2cccc(Br)c2)c1 ZINC001442827401 1066227554 /nfs/dbraw/zinc/22/75/54/1066227554.db2.gz POGIMDMLDIJQOV-UHFFFAOYSA-N 0 0 456.340 4.944 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC001442824988 1066227894 /nfs/dbraw/zinc/22/78/94/1066227894.db2.gz JTWFUKKHAPLVQK-CYBMUJFWSA-N 0 0 454.365 4.632 20 0 JJADRN Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c1C ZINC001453973573 1066227813 /nfs/dbraw/zinc/22/78/13/1066227813.db2.gz LITVWBOVZRZDLO-UHFFFAOYSA-N 0 0 459.571 4.617 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CCCO)CC2)s1 ZINC001361026988 1066228400 /nfs/dbraw/zinc/22/84/00/1066228400.db2.gz JFPJNYFGDQSHNG-UHFFFAOYSA-N 0 0 469.655 4.584 20 0 JJADRN COc1cccc(C2(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)CCC2)c1 ZINC001453979165 1066228502 /nfs/dbraw/zinc/22/85/02/1066228502.db2.gz PJQLHDQHWFFNJR-UHFFFAOYSA-N 0 0 450.560 4.614 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1ccc(F)c(Br)c1F ZINC001453986100 1066229996 /nfs/dbraw/zinc/22/99/96/1066229996.db2.gz UKKHSBJUPDMNBG-UHFFFAOYSA-N 0 0 453.349 4.704 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361027705 1066230544 /nfs/dbraw/zinc/23/05/44/1066230544.db2.gz RFAOJJFAOHFPSF-QZTJIDSGSA-N 0 0 472.527 4.873 20 0 JJADRN CCc1ccc([C@H](NC(=O)Cc2ccc3cnccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027566 1066230618 /nfs/dbraw/zinc/23/06/18/1066230618.db2.gz SHQCVISKQQQGFS-MHZLTWQESA-N 0 0 458.583 4.649 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CCCO)CC2)cs1 ZINC001361027748 1066230635 /nfs/dbraw/zinc/23/06/35/1066230635.db2.gz SBWSFVYPIMTLAA-UHFFFAOYSA-N 0 0 454.640 4.881 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](CCOC)C2)O1 ZINC001546057028 1066230804 /nfs/dbraw/zinc/23/08/04/1066230804.db2.gz NCNVBQZFHDLYDF-RZPFDVGOSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCOC(C)(C)C)c1 ZINC001361027778 1066231170 /nfs/dbraw/zinc/23/11/70/1066231170.db2.gz CUZGFWRYXWSLHX-QFIPXVFZSA-N 0 0 499.700 4.666 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)CC3(CNC(=O)OC(C)(C)C)CC3)CCCC2)cc1C ZINC001361027990 1066231235 /nfs/dbraw/zinc/23/12/35/1066231235.db2.gz XFMFNONEUCZDBK-UHFFFAOYSA-N 0 0 457.615 4.614 20 0 JJADRN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC001442854408 1066231336 /nfs/dbraw/zinc/23/13/36/1066231336.db2.gz MTUCCKOLQLIXNL-HXUWFJFHSA-N 0 0 453.583 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC001442854603 1066231376 /nfs/dbraw/zinc/23/13/76/1066231376.db2.gz GGBHJJSQAGWZRD-HSZRJFAPSA-N 0 0 458.514 4.928 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC001361028034 1066231818 /nfs/dbraw/zinc/23/18/18/1066231818.db2.gz XPKJSZQOZGOUKV-JOCHJYFZSA-N 0 0 458.587 4.511 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)O1 ZINC001546057295 1066231797 /nfs/dbraw/zinc/23/17/97/1066231797.db2.gz PTQCENSKYDCASI-APWZRJJASA-N 0 0 491.352 4.966 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ncoc3-c3ccccc3Cl)C2)cc1 ZINC001442856192 1066232202 /nfs/dbraw/zinc/23/22/02/1066232202.db2.gz AICITCCMYUATAM-QGZVFWFLSA-N 0 0 452.942 4.977 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1 ZINC001442855730 1066232382 /nfs/dbraw/zinc/23/23/82/1066232382.db2.gz LERZMDSEPOLSDF-UHFFFAOYSA-N 0 0 456.999 4.688 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361028399 1066232660 /nfs/dbraw/zinc/23/26/60/1066232660.db2.gz ZWAMBRKYOUNJMC-OBTVHEKISA-N 0 0 470.658 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N2CC(Cc3ccsc3)C2)CC1 ZINC001454005979 1066232851 /nfs/dbraw/zinc/23/28/51/1066232851.db2.gz LNTJJIUBVAIMNU-UHFFFAOYSA-N 0 0 455.624 4.631 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cnc(Cl)cc3C(F)(F)F)C2)cc1 ZINC001442864342 1066232959 /nfs/dbraw/zinc/23/29/59/1066232959.db2.gz QFGAXMSUPDYROI-CQSZACIVSA-N 0 0 454.880 4.736 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCC(OCc4ccc(F)cc4)CC3)C2)c1 ZINC001454008998 1066233321 /nfs/dbraw/zinc/23/33/21/1066233321.db2.gz VCIMUNUSORULOO-JOCHJYFZSA-N 0 0 452.570 4.503 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC001454009104 1066233513 /nfs/dbraw/zinc/23/35/13/1066233513.db2.gz XGGNAJYNQKFFBQ-SFHVURJKSA-N 0 0 452.338 4.510 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001454012108 1066234014 /nfs/dbraw/zinc/23/40/14/1066234014.db2.gz RPEWCIGOEYNFQD-HNNXBMFYSA-N 0 0 457.600 4.726 20 0 JJADRN COCc1c(Br)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC001442870718 1066234427 /nfs/dbraw/zinc/23/44/27/1066234427.db2.gz CUQXASYZUIORQR-UHFFFAOYSA-N 0 0 451.317 4.900 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCCC(F)(F)F)c1 ZINC001361028728 1066234682 /nfs/dbraw/zinc/23/46/82/1066234682.db2.gz PJHZAGNDEASQED-UHFFFAOYSA-N 0 0 495.590 4.900 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361028851 1066234770 /nfs/dbraw/zinc/23/47/70/1066234770.db2.gz SNGNUJXEQVDBAZ-SZPZYZBQSA-N 0 0 492.668 4.808 20 0 JJADRN COc1ccccc1/C=C(/C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001442870871 1066235127 /nfs/dbraw/zinc/23/51/27/1066235127.db2.gz DGOVGAHPWRKXTJ-UZXYXVAJSA-N 0 0 450.579 4.999 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CCSC(F)(F)F)c1 ZINC001361028907 1066235259 /nfs/dbraw/zinc/23/52/59/1066235259.db2.gz UVOZCPNNJXUGFA-APWZRJJASA-N 0 0 470.561 4.731 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361028852 1066235274 /nfs/dbraw/zinc/23/52/74/1066235274.db2.gz SNGNUJXEQVDBAZ-VXKWHMMOSA-N 0 0 492.668 4.808 20 0 JJADRN Cc1cscc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001361029105 1066236169 /nfs/dbraw/zinc/23/61/69/1066236169.db2.gz ZCQRUVJZLRRGQH-UHFFFAOYSA-N 0 0 495.693 4.975 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H]2CCCCS2)c1 ZINC001361029100 1066236237 /nfs/dbraw/zinc/23/62/37/1066236237.db2.gz ZAJJWEIUSRXBBX-DEOSSOPVSA-N 0 0 499.725 4.843 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CC1 ZINC001442872699 1066236486 /nfs/dbraw/zinc/23/64/86/1066236486.db2.gz IOBOUWRAPHMEQY-UHFFFAOYSA-N 0 0 457.434 4.647 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2[C@@H]2C[C@H]2C(C)C)c1 ZINC001361029131 1066236774 /nfs/dbraw/zinc/23/67/74/1066236774.db2.gz ZLRZRHDLFNGEGI-IJXRJRJASA-N 0 0 452.521 4.847 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442881767 1066237117 /nfs/dbraw/zinc/23/71/17/1066237117.db2.gz SLGQCRNCOXZCOL-CYBMUJFWSA-N 0 0 453.402 4.580 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC001454036958 1066238104 /nfs/dbraw/zinc/23/81/04/1066238104.db2.gz ISARTPOPIQUZDB-ZCYQVOJMSA-N 0 0 456.652 4.962 20 0 JJADRN CCCCOCCN(C(=O)c1ccc(/C=C\C(=O)OC)o1)c1ccc(Br)cc1 ZINC001361030616 1066238180 /nfs/dbraw/zinc/23/81/80/1066238180.db2.gz SIFJKLHQJQIIBW-BENRWUELSA-N 0 0 450.329 4.692 20 0 JJADRN CCCCOCCN(C(=O)c1ccc(Cn2ccnn2)cc1)c1ccc(Br)cc1 ZINC001361030440 1066238220 /nfs/dbraw/zinc/23/82/20/1066238220.db2.gz OEARLWTZVRTFMS-UHFFFAOYSA-N 0 0 457.372 4.552 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC001442909138 1066238452 /nfs/dbraw/zinc/23/84/52/1066238452.db2.gz OZTASRQUCZMEHC-UHFFFAOYSA-N 0 0 450.913 4.690 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CCCCC1 ZINC001442907692 1066238486 /nfs/dbraw/zinc/23/84/86/1066238486.db2.gz KYCKUTUKDRHSRL-FQEVSTJZSA-N 0 0 450.023 4.648 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546057356 1066238860 /nfs/dbraw/zinc/23/88/60/1066238860.db2.gz QOXILMUOHKYJSC-NSXLHWASSA-N 0 0 463.022 4.721 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546057358 1066239050 /nfs/dbraw/zinc/23/90/50/1066239050.db2.gz QOXILMUOHKYJSC-UTSGNWPNSA-N 0 0 463.022 4.721 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCCOC(C)C)c1 ZINC001361030973 1066239371 /nfs/dbraw/zinc/23/93/71/1066239371.db2.gz CHERDPHIMQXARN-UHFFFAOYSA-N 0 0 484.563 4.573 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001361031059 1066239402 /nfs/dbraw/zinc/23/94/02/1066239402.db2.gz GOJZTYALWXXPIP-HOYKHHGWSA-N 0 0 476.593 4.925 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@H]2CC=CCO2)c1 ZINC001361031120 1066239980 /nfs/dbraw/zinc/23/99/80/1066239980.db2.gz IHIRLYPFXKZZLY-XMMPIXPASA-N 0 0 468.642 4.851 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]4CCC[C@H]43)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361031155 1066240099 /nfs/dbraw/zinc/24/00/99/1066240099.db2.gz JIFHRDWVEZFHIL-KCZVDYSFSA-N 0 0 469.630 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031150 1066240262 /nfs/dbraw/zinc/24/02/62/1066240262.db2.gz JBQQODROPMQDRB-NRFANRHFSA-N 0 0 467.658 4.795 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC001442919064 1066240110 /nfs/dbraw/zinc/24/01/10/1066240110.db2.gz IJVUABRAGWARRM-OAQYLSRUSA-N 0 0 454.636 4.873 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CCOc3cc(Br)ccc3C2)o1 ZINC001454046927 1066240176 /nfs/dbraw/zinc/24/01/76/1066240176.db2.gz MKHSFTVVPCDDGK-UHFFFAOYSA-N 0 0 458.308 4.665 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2cnn(C)c2)O1 ZINC001546057488 1066240381 /nfs/dbraw/zinc/24/03/81/1066240381.db2.gz SPONLLMRJUWARH-IERDGZPVSA-N 0 0 465.385 4.989 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC001454045979 1066240459 /nfs/dbraw/zinc/24/04/59/1066240459.db2.gz LZPDPXFJABFGKS-UHFFFAOYSA-N 0 0 450.402 4.602 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361031211 1066240758 /nfs/dbraw/zinc/24/07/58/1066240758.db2.gz LBNOVZKEJPIRSW-UHFFFAOYSA-N 0 0 493.574 4.511 20 0 JJADRN CCc1ncsc1C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442923418 1066240872 /nfs/dbraw/zinc/24/08/72/1066240872.db2.gz OUZPCJZNCLTGDP-UHFFFAOYSA-N 0 0 459.568 4.514 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)on1 ZINC001454056175 1066240942 /nfs/dbraw/zinc/24/09/42/1066240942.db2.gz ORUPJANMFYVUFR-UHFFFAOYSA-N 0 0 454.836 4.536 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)[C@H](C)c2cccc(Br)c2)CC1)c1ccccc1 ZINC001442919645 1066240940 /nfs/dbraw/zinc/24/09/40/1066240940.db2.gz GQJVEMITHHKMER-VGSWGCGISA-N 0 0 457.412 4.854 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC[C@@H]4CCOC4)CC3)n2CCC(C)(F)F)c1 ZINC001361031236 1066241059 /nfs/dbraw/zinc/24/10/59/1066241059.db2.gz LYJXGWGJAFONHN-HXUWFJFHSA-N 0 0 478.584 4.541 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(F)(F)Br)c1 ZINC001361031643 1066241589 /nfs/dbraw/zinc/24/15/89/1066241589.db2.gz XMZIXBZXLOMSQN-CQSZACIVSA-N 0 0 479.316 4.943 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)on1 ZINC001454057287 1066241639 /nfs/dbraw/zinc/24/16/39/1066241639.db2.gz QOYMXFATFMRMLI-UHFFFAOYSA-N 0 0 456.424 4.793 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(F)(F)Br)c1 ZINC001361031642 1066241761 /nfs/dbraw/zinc/24/17/61/1066241761.db2.gz XMZIXBZXLOMSQN-AWEZNQCLSA-N 0 0 479.316 4.943 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCC1 ZINC001454061850 1066241842 /nfs/dbraw/zinc/24/18/42/1066241842.db2.gz QPJYHUGILDCMBQ-UHFFFAOYSA-N 0 0 452.267 4.590 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCCS2)c1 ZINC001361031564 1066242320 /nfs/dbraw/zinc/24/23/20/1066242320.db2.gz VOWHJJRSOINBTG-LJQANCHMSA-N 0 0 484.588 4.653 20 0 JJADRN Cc1cc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)ccc1N1CCSCC1 ZINC001442927485 1066242386 /nfs/dbraw/zinc/24/23/86/1066242386.db2.gz ACKLZQLWVYIETG-VWLOTQADSA-N 0 0 455.624 4.927 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC001442926967 1066242446 /nfs/dbraw/zinc/24/24/46/1066242446.db2.gz IAMURAVUDHIIIR-OAQYLSRUSA-N 0 0 456.970 4.509 20 0 JJADRN O=C(NCc1cccc2c1OC(F)(F)O2)c1ccsc1NC(=O)c1ccccc1Cl ZINC001454068450 1066242585 /nfs/dbraw/zinc/24/25/85/1066242585.db2.gz YYKOLRPFVIAUOI-UHFFFAOYSA-N 0 0 450.850 4.905 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)O1 ZINC001546057580 1066242742 /nfs/dbraw/zinc/24/27/42/1066242742.db2.gz UVLQLSIXPFBMOP-URXFXBBRSA-N 0 0 455.990 4.890 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCOc2ncccc2F)c1 ZINC001361031608 1066242866 /nfs/dbraw/zinc/24/28/66/1066242866.db2.gz WPLPBWQVVMPMPA-GOSISDBHSA-N 0 0 475.515 4.569 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCSC(F)(F)F)c1 ZINC001361031679 1066242881 /nfs/dbraw/zinc/24/28/81/1066242881.db2.gz YKPUHYOWOYJJMM-PKOBYXMFSA-N 0 0 470.561 4.732 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@]2(C)CCCO2)c1 ZINC001361031683 1066242944 /nfs/dbraw/zinc/24/29/44/1066242944.db2.gz YOZFHWXAPMENCD-AVRDEDQJSA-N 0 0 452.521 4.822 20 0 JJADRN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC001442932498 1066243016 /nfs/dbraw/zinc/24/30/16/1066243016.db2.gz VFAHAOJTONMRDP-UHFFFAOYSA-N 0 0 452.979 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001442930304 1066243071 /nfs/dbraw/zinc/24/30/71/1066243071.db2.gz QVTPYSQCTKFRDZ-UHFFFAOYSA-N 0 0 451.007 4.889 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546057718 1066243470 /nfs/dbraw/zinc/24/34/70/1066243470.db2.gz WMBOQTCHIVRPEM-QNJCZANYSA-N 0 0 478.584 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2CCCCS2)c1 ZINC001361031913 1066243583 /nfs/dbraw/zinc/24/35/83/1066243583.db2.gz FUNSELVGDKQCKT-FYYLOGMGSA-N 0 0 485.698 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCSCC(F)(F)F)c1 ZINC001361031832 1066243633 /nfs/dbraw/zinc/24/36/33/1066243633.db2.gz CCFMPGFFDAHXHG-HXUWFJFHSA-N 0 0 494.587 4.844 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442937063 1066243839 /nfs/dbraw/zinc/24/38/39/1066243839.db2.gz VKBKFPBXVPOTLW-VGOFRKELSA-N 0 0 451.508 4.869 20 0 JJADRN CC(C)[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442935573 1066243900 /nfs/dbraw/zinc/24/39/00/1066243900.db2.gz VKBKFPBXVPOTLW-JTSKRJEESA-N 0 0 451.508 4.869 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)[C@@H]2CCOC2)O1 ZINC001546057778 1066244092 /nfs/dbraw/zinc/24/40/92/1066244092.db2.gz XCDQPBWCWUBCIN-DNRQZRRGSA-N 0 0 477.049 4.824 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361032009 1066244462 /nfs/dbraw/zinc/24/44/62/1066244462.db2.gz HTRZKQLWJJMXHJ-RQSLGCGOSA-N 0 0 458.672 4.790 20 0 JJADRN Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)c(C)n1[C@@H]1CCCOC1 ZINC001442942148 1066244356 /nfs/dbraw/zinc/24/43/56/1066244356.db2.gz QBMKTVLSZLPOST-MRXNPFEDSA-N 0 0 457.315 4.750 20 0 JJADRN O=C(CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001442939866 1066244464 /nfs/dbraw/zinc/24/44/64/1066244464.db2.gz MCNVKGPGIJKKGH-XZOQPEGZSA-N 0 0 474.432 4.732 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)Cc3coc4c3ccc(Cl)c4Cl)C2)s1 ZINC001454092214 1066244674 /nfs/dbraw/zinc/24/46/74/1066244674.db2.gz NAQMWMYSQSKFTR-LLVKDONJSA-N 0 0 453.347 4.931 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546057953 1066244895 /nfs/dbraw/zinc/24/48/95/1066244895.db2.gz ZCACGSZAEXLGBZ-XLIONFOSSA-N 0 0 457.566 4.760 20 0 JJADRN Cc1noc([C@@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001361032109 1066244811 /nfs/dbraw/zinc/24/48/11/1066244811.db2.gz LQXPOMSPDIXQCH-AMGIVPHBSA-N 0 0 496.656 4.737 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC001442957028 1066245595 /nfs/dbraw/zinc/24/55/95/1066245595.db2.gz KTDALNWLFMFROV-KRWDZBQOSA-N 0 0 450.564 4.657 20 0 JJADRN CCc1nc(CCNC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)cs1 ZINC001442961588 1066246111 /nfs/dbraw/zinc/24/61/11/1066246111.db2.gz BDYJQCYGDAEMCH-UHFFFAOYSA-N 0 0 456.612 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361032603 1066246126 /nfs/dbraw/zinc/24/61/26/1066246126.db2.gz SNWQUBDPESWTNB-JOCHJYFZSA-N 0 0 469.674 4.899 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3ccco3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361032610 1066246760 /nfs/dbraw/zinc/24/67/60/1066246760.db2.gz SPHBMBNKAJMTOP-NRFANRHFSA-N 0 0 465.598 4.571 20 0 JJADRN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC001442965076 1066246835 /nfs/dbraw/zinc/24/68/35/1066246835.db2.gz OAOMJLWHACUBDT-UHFFFAOYSA-N 0 0 453.464 4.888 20 0 JJADRN CCn1c(SCC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)nnc1-c1ccccc1C ZINC001546058100 1066247048 /nfs/dbraw/zinc/24/70/48/1066247048.db2.gz CDYXJSVFRZFOGD-KRWDZBQOSA-N 0 0 456.999 4.699 20 0 JJADRN CCCCCC[C@H](O)CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001442963367 1066246906 /nfs/dbraw/zinc/24/69/06/1066246906.db2.gz SQONJOOQCIMOIN-FQEVSTJZSA-N 0 0 453.421 4.738 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)cc1OC ZINC001361032765 1066247806 /nfs/dbraw/zinc/24/78/06/1066247806.db2.gz GMJZITUIQNHOBC-UHFFFAOYSA-N 0 0 450.329 4.559 20 0 JJADRN Cc1nc(N)nc(C)c1C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC001442967201 1066247622 /nfs/dbraw/zinc/24/76/22/1066247622.db2.gz KTDVNNZWWQKBIY-UHFFFAOYSA-N 0 0 452.383 4.695 20 0 JJADRN C[C@]1(CCC(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)CCC(=O)N1 ZINC001442970066 1066247872 /nfs/dbraw/zinc/24/78/72/1066247872.db2.gz SQJATQBRPUDYPW-NRFANRHFSA-N 0 0 456.411 4.841 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCOc2cccc(C(F)(F)F)n2)c1 ZINC001361033008 1066248264 /nfs/dbraw/zinc/24/82/64/1066248264.db2.gz WRCFBXFZHNQPQD-GOSISDBHSA-N 0 0 475.515 4.955 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545953010 1066248512 /nfs/dbraw/zinc/24/85/12/1066248512.db2.gz SCEKWRNFTSHRHM-UYAOXDASSA-N 0 0 475.609 4.845 20 0 JJADRN CSc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1Br ZINC001454123118 1066248605 /nfs/dbraw/zinc/24/86/05/1066248605.db2.gz HBGUFZJRROOXTL-UHFFFAOYSA-N 0 0 459.369 4.608 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCCOCC2CCOCC2)c1 ZINC001361033124 1066248864 /nfs/dbraw/zinc/24/88/64/1066248864.db2.gz YHDCKPNDYOPJBI-OAQYLSRUSA-N 0 0 470.658 4.934 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2Cl)CC1 ZINC001442974485 1066249019 /nfs/dbraw/zinc/24/90/19/1066249019.db2.gz SJRPENHRDFVIPB-UHFFFAOYSA-N 0 0 451.929 4.714 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@H]2C)cc1OC ZINC001442976609 1066249744 /nfs/dbraw/zinc/24/97/44/1066249744.db2.gz VXHBSAMVSPTUNI-XMGTWHOFSA-N 0 0 454.615 4.686 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC3(CCCC3=O)CC2)cc1)c1ccc(Br)cc1 ZINC001454150109 1066250066 /nfs/dbraw/zinc/25/00/66/1066250066.db2.gz LOTVNPBEXWFHPK-UHFFFAOYSA-N 0 0 455.352 4.677 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 ZINC001442988949 1066250330 /nfs/dbraw/zinc/25/03/30/1066250330.db2.gz PFRCMEQCHUNIJW-QHCPKHFHSA-N 0 0 453.583 4.984 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1cnn([C@@H]2CCCCO2)c1)NCC1CCCCC1 ZINC001454156943 1066250512 /nfs/dbraw/zinc/25/05/12/1066250512.db2.gz VNXBCFLIUQPHSV-QHCPKHFHSA-N 0 0 456.612 4.623 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545953472 1066251407 /nfs/dbraw/zinc/25/14/07/1066251407.db2.gz YHPQIHFCWNTFOI-QRQLOZEOSA-N 0 0 494.036 4.600 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361034845 1066251704 /nfs/dbraw/zinc/25/17/04/1066251704.db2.gz FXMLUBKIQDJADB-UHFFFAOYSA-N 0 0 495.590 4.757 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2CC(C)(C)C2)c1 ZINC001361034917 1066251749 /nfs/dbraw/zinc/25/17/49/1066251749.db2.gz ITYKKAJHBFBCCX-LJQANCHMSA-N 0 0 479.591 4.983 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001443005734 1066251872 /nfs/dbraw/zinc/25/18/72/1066251872.db2.gz CCCNFCHFFZXNDA-KRWDZBQOSA-N 0 0 450.391 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361035042 1066252269 /nfs/dbraw/zinc/25/22/69/1066252269.db2.gz NPTHHQAWXUPILU-WMTXJRDZSA-N 0 0 456.631 4.684 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001454192909 1066252503 /nfs/dbraw/zinc/25/25/03/1066252503.db2.gz JLRZZEGILAHFRE-GGPKGHCWSA-N 0 0 458.599 4.884 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001454192912 1066252651 /nfs/dbraw/zinc/25/26/51/1066252651.db2.gz JLRZZEGILAHFRE-QWFCFKBJSA-N 0 0 458.599 4.884 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(Cc4cccs4)CC3)n2CCSC(C)C)c1 ZINC001361035268 1066252998 /nfs/dbraw/zinc/25/29/98/1066252998.db2.gz BLGROYGJOBACIF-UHFFFAOYSA-N 0 0 485.723 4.999 20 0 JJADRN COc1ccccc1-c1nn(C)cc1C(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC001454198036 1066253206 /nfs/dbraw/zinc/25/32/06/1066253206.db2.gz AHDMSXWXHSNBPO-UHFFFAOYSA-N 0 0 452.967 4.726 20 0 JJADRN C[C@@H](CC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1C(F)(F)F ZINC001454195154 1066253228 /nfs/dbraw/zinc/25/32/28/1066253228.db2.gz MXMOWHGNNIKJNF-INIZCTEOSA-N 0 0 457.500 4.796 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(NC4CCCC4)c3)CC2)cc1C ZINC001454194953 1066253283 /nfs/dbraw/zinc/25/32/83/1066253283.db2.gz RCUOZIMUEOFWPY-UHFFFAOYSA-N 0 0 455.624 4.697 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001443013557 1066253481 /nfs/dbraw/zinc/25/34/81/1066253481.db2.gz HRPORUQGCAIMNG-CQSZACIVSA-N 0 0 451.430 4.606 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N(CC)[C@@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC001454196757 1066253482 /nfs/dbraw/zinc/25/34/82/1066253482.db2.gz BAIJYSKRUWXNNB-MRXNPFEDSA-N 0 0 455.546 4.870 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C(F)(F)F)o1 ZINC001454205087 1066253868 /nfs/dbraw/zinc/25/38/68/1066253868.db2.gz OJQMCJXRMAJOAM-IBGZPJMESA-N 0 0 458.889 4.745 20 0 JJADRN Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1S(=O)(=O)Nc1ccc(F)cc1 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HDKFCPPGWIENHX-NLFFAJNJSA-N 0 0 458.672 4.868 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](C)c2nccs2)c1 ZINC001361038674 1066257679 /nfs/dbraw/zinc/25/76/79/1066257679.db2.gz MINWUEQJJRMCKX-RBUKOAKNSA-N 0 0 455.628 4.738 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](C)c2nccs2)c1 ZINC001361038675 1066257877 /nfs/dbraw/zinc/25/78/77/1066257877.db2.gz MINWUEQJJRMCKX-RTBURBONSA-N 0 0 455.628 4.738 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(C(=O)c3ccc(Br)s3)CC2)n1 ZINC001454250519 1066258350 /nfs/dbraw/zinc/25/83/50/1066258350.db2.gz XPGPJPGLTACOMD-UHFFFAOYSA-N 0 0 458.381 4.996 20 0 JJADRN COc1cc(Br)ccc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454254374 1066258466 /nfs/dbraw/zinc/25/84/66/1066258466.db2.gz CPDULZZVDBFLTB-UHFFFAOYSA-N 0 0 452.658 4.966 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(C)cc12 ZINC001454260344 1066258898 /nfs/dbraw/zinc/25/88/98/1066258898.db2.gz BBEDSSHAJDYPCS-JOCHJYFZSA-N 0 0 455.530 4.549 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2CCC(C)(F)F)c1 ZINC001361038968 1066259199 /nfs/dbraw/zinc/25/91/99/1066259199.db2.gz UKGHUCYUMUCHRC-LJQANCHMSA-N 0 0 490.555 4.604 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2=CCCCC2)c1 ZINC001361039104 1066259241 /nfs/dbraw/zinc/25/92/41/1066259241.db2.gz XTMOVCBBWCOMII-FQEVSTJZSA-N 0 0 450.505 4.742 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001454266020 1066259704 /nfs/dbraw/zinc/25/97/04/1066259704.db2.gz OZIGAVGJYGGSFI-INIZCTEOSA-N 0 0 458.581 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001443054286 1066259961 /nfs/dbraw/zinc/25/99/61/1066259961.db2.gz ALFZWYPGUVZXMA-HXUWFJFHSA-N 0 0 454.970 4.806 20 0 JJADRN Cc1ccc(C(=O)NCC[C@@H]2CCCS2)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001454263865 1066259962 /nfs/dbraw/zinc/25/99/62/1066259962.db2.gz MXMZNMBBPIZPSH-INIZCTEOSA-N 0 0 456.992 4.604 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@@H]2C)s1 ZINC001361039292 1066260345 /nfs/dbraw/zinc/26/03/45/1066260345.db2.gz DBNZTWRAPBIVCX-KRWDZBQOSA-N 0 0 457.669 4.732 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC001443055084 1066260355 /nfs/dbraw/zinc/26/03/55/1066260355.db2.gz DRSWBNIUMGLYEO-JKSUJKDBSA-N 0 0 451.792 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(O)(c3cccc(Cl)c3)C2)c2ccccc2C1 ZINC001443056118 1066260410 /nfs/dbraw/zinc/26/04/10/1066260410.db2.gz YTWJNNMMKIHHCP-UHFFFAOYSA-N 0 0 456.970 4.722 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001361039276 1066260532 /nfs/dbraw/zinc/26/05/32/1066260532.db2.gz CFIWWSYKLFPWBK-QZTJIDSGSA-N 0 0 472.684 4.597 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc2O1 ZINC001443057015 1066260709 /nfs/dbraw/zinc/26/07/09/1066260709.db2.gz WVRSPOTUCRUITJ-OAQYLSRUSA-N 0 0 459.468 4.899 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443057384 1066260724 /nfs/dbraw/zinc/26/07/24/1066260724.db2.gz UABOARDNZWMQPR-VGSWGCGISA-N 0 0 451.567 4.810 20 0 JJADRN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001454267593 1066260749 /nfs/dbraw/zinc/26/07/49/1066260749.db2.gz NYBRJBAWNSZXHH-DHIUTWEWSA-N 0 0 456.369 4.954 20 0 JJADRN CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CCN1Cc1ccc(OC)cc1 ZINC001443057686 1066261009 /nfs/dbraw/zinc/26/10/09/1066261009.db2.gz WGWDBDJYAAUIOY-GOSISDBHSA-N 0 0 453.764 4.723 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CC1=O ZINC001454270541 1066262452 /nfs/dbraw/zinc/26/24/52/1066262452.db2.gz YSMYXJPSOQBLKU-SJORKVTESA-N 0 0 452.551 4.853 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CC1=O ZINC001454270540 1066262510 /nfs/dbraw/zinc/26/25/10/1066262510.db2.gz YSMYXJPSOQBLKU-IRXDYDNUSA-N 0 0 452.551 4.853 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)n1 ZINC001361039765 1066262591 /nfs/dbraw/zinc/26/25/91/1066262591.db2.gz TYKQZTGSVUXBTE-FGZHOGPDSA-N 0 0 468.671 4.708 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(Nc3ccn(C)n3)n2Cc2sccc2Br)c1 ZINC001361039945 1066263058 /nfs/dbraw/zinc/26/30/58/1066263058.db2.gz ZYDRRCWXCBXYSS-UHFFFAOYSA-N 0 0 473.400 4.823 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CCCO)CC2)c1 ZINC001361041508 1066264235 /nfs/dbraw/zinc/26/42/35/1066264235.db2.gz ANYCNBLHDZPEDQ-UHFFFAOYSA-N 0 0 470.017 4.678 20 0 JJADRN CC[C@]1(C(=O)Nc2n[nH]c3c2cc(C)cc3Br)CCCN1C(=O)OC(C)(C)C ZINC001454279194 1066264400 /nfs/dbraw/zinc/26/44/00/1066264400.db2.gz JDKUISFHQVHFON-HXUWFJFHSA-N 0 0 451.365 4.752 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)c1 ZINC001443088051 1066264858 /nfs/dbraw/zinc/26/48/58/1066264858.db2.gz QFRCUCBWEZEVCQ-LJQANCHMSA-N 0 0 458.536 4.702 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3ccc[nH]3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361041801 1066264730 /nfs/dbraw/zinc/26/47/30/1066264730.db2.gz KANKRSFVIRJQFM-UHFFFAOYSA-N 0 0 494.640 4.853 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)O1 ZINC001546059441 1066265103 /nfs/dbraw/zinc/26/51/03/1066265103.db2.gz KFPPFLVXZQWLQB-HHJKRLRDSA-N 0 0 474.671 4.930 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N[C@H](C)[C@H](OC)c3ccccc3Cl)nnc2[C@H]2CCOC2)O1 ZINC001546059410 1066265115 /nfs/dbraw/zinc/26/51/15/1066265115.db2.gz JWMORFNKVAGEGY-HPMKRPECSA-N 0 0 463.022 4.971 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(OC)CC2)O1 ZINC001546059359 1066265161 /nfs/dbraw/zinc/26/51/61/1066265161.db2.gz IYHRNFSHRWQFGY-AMFHANJBSA-N 0 0 462.679 4.940 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001443091509 1066265456 /nfs/dbraw/zinc/26/54/56/1066265456.db2.gz PZLRLBLNVRNNBV-UHFFFAOYSA-N 0 0 451.567 4.909 20 0 JJADRN O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001454293451 1066265785 /nfs/dbraw/zinc/26/57/85/1066265785.db2.gz BFQXBRIUMHMJMM-KBPBESRZSA-N 0 0 457.265 4.706 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)C(C)(C)c3ccc(Br)c(C)c3)CC2)cc1 ZINC001443093931 1066266087 /nfs/dbraw/zinc/26/60/87/1066266087.db2.gz VWKDJTGUBSCEBA-UHFFFAOYSA-N 0 0 457.412 4.765 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001443093571 1066266102 /nfs/dbraw/zinc/26/61/02/1066266102.db2.gz STVRTMCBIIHNCD-OUKQBFOZSA-N 0 0 457.574 4.766 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c2)n1 ZINC001443092696 1066266169 /nfs/dbraw/zinc/26/61/69/1066266169.db2.gz HZJFTYPMKMRHKL-NRFANRHFSA-N 0 0 457.361 4.918 20 0 JJADRN Cc1ccc(CCC(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)cc1Cl ZINC001454296084 1066266331 /nfs/dbraw/zinc/26/63/31/1066266331.db2.gz HGEJJQMXJIVZGM-MRXNPFEDSA-N 0 0 451.792 4.801 20 0 JJADRN COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)C2(c3ccc(C(C)C)cc3)CCCCC2)CCO1 ZINC001454296907 1066266500 /nfs/dbraw/zinc/26/65/00/1066266500.db2.gz NAPAJBHZINCNBS-MHZLTWQESA-N 0 0 459.627 4.598 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCCC(C)C)CC2)n1 ZINC001361042705 1066266600 /nfs/dbraw/zinc/26/66/00/1066266600.db2.gz NBUNJOXOKWTYID-UHFFFAOYSA-N 0 0 498.473 4.877 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545954310 1066266794 /nfs/dbraw/zinc/26/67/94/1066266794.db2.gz CBXJADCFWXWLEI-SMIHKQSGSA-N 0 0 490.652 4.804 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Nc3cnn(C)c3)nnc2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361042639 1066266689 /nfs/dbraw/zinc/26/66/89/1066266689.db2.gz KWZWCFRIPWYCTP-FQEVSTJZSA-N 0 0 495.628 4.566 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C)C2)c1 ZINC001361042662 1066266803 /nfs/dbraw/zinc/26/68/03/1066266803.db2.gz LTPDRTYNKYPVHR-QIJUGHKUSA-N 0 0 483.657 4.981 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361042653 1066266834 /nfs/dbraw/zinc/26/68/34/1066266834.db2.gz LJLNYLHPUHFPOH-NRFANRHFSA-N 0 0 497.665 4.730 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(-c4ccccc4Cl)n3CCCCOC(C)C)CC2)n1 ZINC001361042992 1066267370 /nfs/dbraw/zinc/26/73/70/1066267370.db2.gz XJAQTWGSLYDZTB-UHFFFAOYSA-N 0 0 484.048 4.537 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361042777 1066267493 /nfs/dbraw/zinc/26/74/93/1066267493.db2.gz PDUQDIUQHLEWJI-OAQYLSRUSA-N 0 0 489.542 4.507 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)O1 ZINC001546059576 1066267626 /nfs/dbraw/zinc/26/76/26/1066267626.db2.gz MFBVOASEJCOQQX-YSPXBQNJSA-N 0 0 472.630 4.556 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)c2ccc(OC)cc2)O1 ZINC001546059575 1066267660 /nfs/dbraw/zinc/26/76/60/1066267660.db2.gz MFBVOASEJCOQQX-PTUKXTAWSA-N 0 0 472.630 4.556 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)O1 ZINC001546059625 1066267802 /nfs/dbraw/zinc/26/78/02/1066267802.db2.gz NHVKPDWSZWRDOO-AOJNWGRGSA-N 0 0 485.698 4.531 20 0 JJADRN Cc1cccc(COc2ccc([C@H](C)NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)cc2)c1 ZINC001443100565 1066267994 /nfs/dbraw/zinc/26/79/94/1066267994.db2.gz PDDADNSBDNZBHD-LVXARBLLSA-N 0 0 457.574 4.908 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)O1 ZINC001546059626 1066268137 /nfs/dbraw/zinc/26/81/37/1066268137.db2.gz NHVKPDWSZWRDOO-TVZXLZGTSA-N 0 0 485.698 4.531 20 0 JJADRN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001454310368 1066268192 /nfs/dbraw/zinc/26/81/92/1066268192.db2.gz OHUVYRHAFSBJOF-OAQYLSRUSA-N 0 0 452.473 4.620 20 0 JJADRN Cn1c2ccccc2c2cc(C(=O)N[C@](C)(CO)Cc3ccc(Br)cc3)sc21 ZINC001454313207 1066268662 /nfs/dbraw/zinc/26/86/62/1066268662.db2.gz VBBCMKLCGICDTF-QFIPXVFZSA-N 0 0 457.393 4.879 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccnc2)C(C)C)c2ccccc2n1 ZINC001361044962 1066268734 /nfs/dbraw/zinc/26/87/34/1066268734.db2.gz JMHBHXOLHDPFIN-DEOSSOPVSA-N 0 0 499.663 4.987 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N3CCCN(C(=O)CCc4ccccc4)CC3)nnc2C(C)(C)C)O1 ZINC001546059697 1066268967 /nfs/dbraw/zinc/26/89/67/1066268967.db2.gz ONKGPZXQGHAAIC-FIPFOOKPSA-N 0 0 481.685 4.595 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361045149 1066269269 /nfs/dbraw/zinc/26/92/69/1066269269.db2.gz OWKRXLVJVGHVSU-OAHLLOKOSA-N 0 0 483.535 4.660 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001454323161 1066269342 /nfs/dbraw/zinc/26/93/42/1066269342.db2.gz DFSSOEYLTCRQIB-SFHVURJKSA-N 0 0 450.716 4.738 20 0 JJADRN O=C(c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H](C(F)(F)F)C1 ZINC001454324851 1066269363 /nfs/dbraw/zinc/26/93/63/1066269363.db2.gz AJLVXSJXOKNODS-GFCCVEGCSA-N 0 0 459.262 4.630 20 0 JJADRN C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC001454314508 1066269605 /nfs/dbraw/zinc/26/96/05/1066269605.db2.gz YHCBGONASPJNSM-HSZRJFAPSA-N 0 0 457.343 4.737 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCCN(Cc2cscn2)CC1 ZINC001443105661 1066269468 /nfs/dbraw/zinc/26/94/68/1066269468.db2.gz BZLXWHKFHZLOOP-UHFFFAOYSA-N 0 0 451.379 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCO[C@@H](c3ccc(Cl)c(Cl)c3)C1)CC2 ZINC001443104819 1066269482 /nfs/dbraw/zinc/26/94/82/1066269482.db2.gz YRTPHYRLSHBIEZ-GXPWMBGSSA-N 0 0 455.382 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCn1cncc1-c1ccccc1 ZINC001454327512 1066270107 /nfs/dbraw/zinc/27/01/07/1066270107.db2.gz KLHVTCNSUHULOD-VSKRKVRLSA-N 0 0 452.599 4.625 20 0 JJADRN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCC[C@@H](C(F)(F)F)C1 ZINC001454328040 1066270296 /nfs/dbraw/zinc/27/02/96/1066270296.db2.gz VNBKUWAMLHWJNP-GFCCVEGCSA-N 0 0 459.559 4.700 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC001454326218 1066270426 /nfs/dbraw/zinc/27/04/26/1066270426.db2.gz PHZRPXMUWJVOSD-NRFANRHFSA-N 0 0 454.979 4.843 20 0 JJADRN COc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1O ZINC001443121439 1066270924 /nfs/dbraw/zinc/27/09/24/1066270924.db2.gz GDKMMYFLCODPPJ-UHFFFAOYSA-N 0 0 455.436 4.999 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(Cc2cccc(F)c2)C(C)C)O1 ZINC001546059972 1066271101 /nfs/dbraw/zinc/27/11/01/1066271101.db2.gz TUZBWZQVIJUGRU-VBZBYZBJSA-N 0 0 474.621 4.904 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)Oc1cccc(F)c1 ZINC001545954608 1066271660 /nfs/dbraw/zinc/27/16/60/1066271660.db2.gz HQNVOOSPOFVHJK-PJEZACDQSA-N 0 0 487.620 4.950 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCNC(=O)C(C)(C)C)c2ccccc2n1 ZINC001361045736 1066271720 /nfs/dbraw/zinc/27/17/20/1066271720.db2.gz HVLFRVHXCHTFKT-HXUWFJFHSA-N 0 0 460.626 4.757 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001454341298 1066272396 /nfs/dbraw/zinc/27/23/96/1066272396.db2.gz XYZGYKIMUKAXCS-QPPBQGQZSA-N 0 0 455.396 4.734 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001361045963 1066272837 /nfs/dbraw/zinc/27/28/37/1066272837.db2.gz QGEIHXJHXCXFSB-MGBGTMOVSA-N 0 0 482.679 4.750 20 0 JJADRN Cn1c2ccccc2nc1-c1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001443142590 1066273120 /nfs/dbraw/zinc/27/31/20/1066273120.db2.gz SOCMGNUHEDUELT-UHFFFAOYSA-N 0 0 453.329 4.916 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)O1 ZINC001546060187 1066273278 /nfs/dbraw/zinc/27/32/78/1066273278.db2.gz WOAJEDISBOVIRQ-FZWBSCHKSA-N 0 0 488.595 4.700 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545954781 1066273614 /nfs/dbraw/zinc/27/36/14/1066273614.db2.gz KJMUWWBNRYCJRP-KSEOMHKRSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC2CCOCC2)O1 ZINC001546060275 1066273914 /nfs/dbraw/zinc/27/39/14/1066273914.db2.gz XSAXDDFBBICPCA-AVJFOWIRSA-N 0 0 462.679 4.797 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361046169 1066274647 /nfs/dbraw/zinc/27/46/47/1066274647.db2.gz XUTVPKNAXLKZGV-KRWDZBQOSA-N 0 0 464.614 4.809 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)N1CCOc2cc(F)ccc2C1 ZINC001454360432 1066275212 /nfs/dbraw/zinc/27/52/12/1066275212.db2.gz JOVQBDXCZDAPOP-UHFFFAOYSA-N 0 0 453.358 4.737 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cccnc1OCc1ccccc1F ZINC001361046477 1066275878 /nfs/dbraw/zinc/27/58/78/1066275878.db2.gz FKEAJWKJKMUUSW-UWJYYQICSA-N 0 0 457.546 4.708 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001443163751 1066275952 /nfs/dbraw/zinc/27/59/52/1066275952.db2.gz WKFZADYFDUMWAJ-LJQANCHMSA-N 0 0 454.741 4.615 20 0 JJADRN CC(=O)Oc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c2ccccc12 ZINC001454383392 1066276474 /nfs/dbraw/zinc/27/64/74/1066276474.db2.gz UKKSJTMJDNVSAA-UHFFFAOYSA-N 0 0 450.292 4.966 20 0 JJADRN CCn1ccc(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1 ZINC001443167238 1066276750 /nfs/dbraw/zinc/27/67/50/1066276750.db2.gz WTNWJRJRHLCHAV-UHFFFAOYSA-N 0 0 457.405 4.686 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361048395 1066277100 /nfs/dbraw/zinc/27/71/00/1066277100.db2.gz BGFJQLWBFRGFRJ-GOSISDBHSA-N 0 0 464.614 4.905 20 0 JJADRN CCCc1c(C(=O)NCc2nc3cc(C)ccc3s2)cnn1-c1cc(F)c(OC)cc1F ZINC001454394769 1066277790 /nfs/dbraw/zinc/27/77/90/1066277790.db2.gz YOWCFALGTNTXCJ-UHFFFAOYSA-N 0 0 456.518 4.960 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545955109 1066277876 /nfs/dbraw/zinc/27/78/76/1066277876.db2.gz PDASKDYKYXFTQX-UTKZUKDTSA-N 0 0 475.609 4.713 20 0 JJADRN CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001443186007 1066277945 /nfs/dbraw/zinc/27/79/45/1066277945.db2.gz KLQJZMIVUQTIMX-HXUWFJFHSA-N 0 0 458.530 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](CC)OC)c1ccccc1 ZINC001545955321 1066277959 /nfs/dbraw/zinc/27/79/59/1066277959.db2.gz SJSODPMNMCZCLD-BJKOFHAPSA-N 0 0 490.652 4.804 20 0 JJADRN Cc1cc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC(=O)NCC(F)F)c2ccccc2n1 ZINC001361048627 1066277914 /nfs/dbraw/zinc/27/79/14/1066277914.db2.gz FNIRFVFZVLHNPX-UHFFFAOYSA-N 0 0 484.576 4.660 20 0 JJADRN Cc1sc2ncc(C(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)c(=O)n2c1C ZINC001443201030 1066279095 /nfs/dbraw/zinc/27/90/95/1066279095.db2.gz JNMZEZUOKPLPTA-UHFFFAOYSA-N 0 0 455.971 4.762 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCc2ncc(-c3ccccc3)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001443200833 1066279143 /nfs/dbraw/zinc/27/91/43/1066279143.db2.gz IRIUFKUMSLZSQL-PGRDOPGGSA-N 0 0 457.452 4.586 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361049037 1066279554 /nfs/dbraw/zinc/27/95/54/1066279554.db2.gz QPDHNBDWLSMHDC-FQEVSTJZSA-N 0 0 462.642 4.979 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCCC(F)(F)F)c2ccccc2n1 ZINC001361049053 1066279568 /nfs/dbraw/zinc/27/95/68/1066279568.db2.gz RCIPFYFDISSTNA-UHFFFAOYSA-N 0 0 488.558 4.839 20 0 JJADRN CC(C)(C)c1cc(NC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC001443205770 1066279831 /nfs/dbraw/zinc/27/98/31/1066279831.db2.gz NIZGHHBQWDKKEK-LJQANCHMSA-N 0 0 459.999 4.590 20 0 JJADRN C/C=C/C[C@@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001454410109 1066279996 /nfs/dbraw/zinc/27/99/96/1066279996.db2.gz KFPOUCXOJDLNLU-ZMUQKWFASA-N 0 0 452.576 4.965 20 0 JJADRN C/C=C/C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001454412302 1066280082 /nfs/dbraw/zinc/28/00/82/1066280082.db2.gz NZKRDJBBBXHZBI-FFFWVMEBSA-N 0 0 451.380 4.645 20 0 JJADRN C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 ZINC001454411433 1066280283 /nfs/dbraw/zinc/28/02/83/1066280283.db2.gz MFKRPNNCAHMCAB-VZSQWMKGSA-N 0 0 452.551 4.540 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049213 1066280721 /nfs/dbraw/zinc/28/07/21/1066280721.db2.gz WJBCNLFBVOCRCQ-UYAOXDASSA-N 0 0 494.640 4.578 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)c2ccccc2n1 ZINC001361049181 1066280740 /nfs/dbraw/zinc/28/07/40/1066280740.db2.gz VRDUYAWEYWAKHV-GOSISDBHSA-N 0 0 483.682 4.887 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361049297 1066281294 /nfs/dbraw/zinc/28/12/94/1066281294.db2.gz YYGNFWLXCCGHJQ-CUVVAGTFSA-N 0 0 451.615 4.603 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049280 1066281353 /nfs/dbraw/zinc/28/13/53/1066281353.db2.gz YLTJXHDALVETKA-SJLPKXTDSA-N 0 0 450.587 4.561 20 0 JJADRN O=C(C/C=C/c1ccc(Br)cc1)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454425737 1066281440 /nfs/dbraw/zinc/28/14/40/1066281440.db2.gz ORXBXTRZEZMCFU-OWOJBTEDSA-N 0 0 455.121 4.753 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC001443216850 1066281585 /nfs/dbraw/zinc/28/15/85/1066281585.db2.gz QBOIKZAEPXXCHS-FQEVSTJZSA-N 0 0 459.333 4.772 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cscc2C)C1 ZINC001546061453 1066281669 /nfs/dbraw/zinc/28/16/69/1066281669.db2.gz AHOCCMLPDCPDAB-QHCPKHFHSA-N 0 0 458.031 4.906 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCOC(F)F)c2ccccc2n1 ZINC001361049490 1066281941 /nfs/dbraw/zinc/28/19/41/1066281941.db2.gz GECUPBKKXBNSGF-HNNXBMFYSA-N 0 0 451.468 4.913 20 0 JJADRN Cc1cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCCSCC(C)C)c2ccccc2n1 ZINC001361049390 1066282002 /nfs/dbraw/zinc/28/20/02/1066282002.db2.gz CAUNPLSWERLBBD-UHFFFAOYSA-N 0 0 494.709 4.886 20 0 JJADRN Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCSC(F)(F)F)c2ccccc2n1 ZINC001361049473 1066282043 /nfs/dbraw/zinc/28/20/43/1066282043.db2.gz FKZKMQHRBCTXIF-LJQANCHMSA-N 0 0 465.545 4.916 20 0 JJADRN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001443218453 1066282255 /nfs/dbraw/zinc/28/22/55/1066282255.db2.gz SPLOAKOLMNVXQO-MRXNPFEDSA-N 0 0 458.267 4.799 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454438451 1066282345 /nfs/dbraw/zinc/28/23/45/1066282345.db2.gz ZXUQAEHCCXIZBD-MBSDFSHPSA-N 0 0 458.961 4.783 20 0 JJADRN CCn1c(CCNC(=O)c2cnc(-c3ccccc3Br)s2)nc2ccccc21 ZINC001443224309 1066282948 /nfs/dbraw/zinc/28/29/48/1066282948.db2.gz GSGCBVDBJCKGBA-UHFFFAOYSA-N 0 0 455.381 4.915 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cccc(F)c1I)c1nc2ccccc2[nH]1 ZINC001443228541 1066283053 /nfs/dbraw/zinc/28/30/53/1066283053.db2.gz YBQZHJHWZNNEPV-INIZCTEOSA-N 0 0 451.283 4.824 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCc1c[nH]c2c1cccc2Cl ZINC001454448521 1066283338 /nfs/dbraw/zinc/28/33/38/1066283338.db2.gz GIPKNQPHTGTOTM-BBRMVZONSA-N 0 0 459.896 4.668 20 0 JJADRN COc1c(N)c(C(=O)NCCc2c[nH]c3c2cccc3Cl)cc(Cl)c1Br ZINC001454448905 1066283399 /nfs/dbraw/zinc/28/33/99/1066283399.db2.gz IRMJLSNEIHWODN-UHFFFAOYSA-N 0 0 457.155 4.801 20 0 JJADRN CCC(CC)(CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC001443245799 1066283569 /nfs/dbraw/zinc/28/35/69/1066283569.db2.gz ZPFZGRSLNKLLBW-GOSISDBHSA-N 0 0 459.414 4.803 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001454456349 1066284124 /nfs/dbraw/zinc/28/41/24/1066284124.db2.gz LUJDECQFGUYWHG-UHFFFAOYSA-N 0 0 459.974 4.883 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](C)CC3)n2CC[S@@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361049999 1066284170 /nfs/dbraw/zinc/28/41/70/1066284170.db2.gz RLMFMSVSJOVLDA-ZUQCGGBESA-N 0 0 453.656 4.975 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H]3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050053 1066284308 /nfs/dbraw/zinc/28/43/08/1066284308.db2.gz SNOOYVVNYPMZTH-HKUYNNGSSA-N 0 0 464.614 4.951 20 0 JJADRN O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001443252833 1066284417 /nfs/dbraw/zinc/28/44/17/1066284417.db2.gz XZUXVTNPHMBSFJ-UHFFFAOYSA-N 0 0 456.514 4.965 20 0 JJADRN NC(=O)N[C@@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccc(Oc2ccccc2)c1 ZINC001454459616 1066285025 /nfs/dbraw/zinc/28/50/25/1066285025.db2.gz HZEGBSBKAJPXNP-ACIOBRDBSA-N 0 0 451.473 4.529 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1 ZINC001454461582 1066286052 /nfs/dbraw/zinc/28/60/52/1066286052.db2.gz IFDPPYPSJXRQGC-AQNXPRMDSA-N 0 0 458.599 4.796 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)COc1ccc(C=O)cc1Br ZINC001443263523 1066286428 /nfs/dbraw/zinc/28/64/28/1066286428.db2.gz KAODIOGHTJUERE-UHFFFAOYSA-N 0 0 453.336 4.573 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCOc2cccc(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051469 1066286412 /nfs/dbraw/zinc/28/64/12/1066286412.db2.gz TUBJDFAKZCMLAM-SANMLTNESA-N 0 0 451.588 4.772 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546061972 1066287117 /nfs/dbraw/zinc/28/71/17/1066287117.db2.gz IFVUISAZNRKMDH-UTOOPMQXSA-N 0 0 450.624 4.731 20 0 JJADRN COC[C@H](C)N(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@H]1CCc2ccccc21 ZINC001454467240 1066287148 /nfs/dbraw/zinc/28/71/48/1066287148.db2.gz GWLSHTLQDKOQNA-WDJPJFJCSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)C)c2ccccc2n1 ZINC001361052004 1066287069 /nfs/dbraw/zinc/28/70/69/1066287069.db2.gz JAGXUBDFYWBSMU-LJQANCHMSA-N 0 0 464.614 4.951 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001443264906 1066287242 /nfs/dbraw/zinc/28/72/42/1066287242.db2.gz GOEBTCYJOPSLFW-SFHVURJKSA-N 0 0 454.393 4.672 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)cc2c1 ZINC001454467026 1066287367 /nfs/dbraw/zinc/28/73/67/1066287367.db2.gz MZHNNZXGFQUJHO-QIJUGHKUSA-N 0 0 453.583 4.706 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2cnccc2c1)OC ZINC001545956320 1066287356 /nfs/dbraw/zinc/28/73/56/1066287356.db2.gz AEGJWPHZGXFGDD-IBGZPJMESA-N 0 0 469.387 4.645 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H]1C ZINC001361052657 1066287926 /nfs/dbraw/zinc/28/79/26/1066287926.db2.gz MCZNNPLUURUUSD-DGGJZMOXSA-N 0 0 455.965 4.851 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(OC(F)F)c1)OC ZINC001545956389 1066288036 /nfs/dbraw/zinc/28/80/36/1066288036.db2.gz BTHLHSFYBJHGFV-OAHLLOKOSA-N 0 0 484.345 4.699 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)c1 ZINC001443275445 1066288522 /nfs/dbraw/zinc/28/85/22/1066288522.db2.gz YSKSDDLEDXDVRO-FQEVSTJZSA-N 0 0 451.502 4.723 20 0 JJADRN CN(C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001443268966 1066288646 /nfs/dbraw/zinc/28/86/46/1066288646.db2.gz VZYYHRMFQKBLBY-OAQYLSRUSA-N 0 0 458.436 4.815 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001443270410 1066288666 /nfs/dbraw/zinc/28/86/66/1066288666.db2.gz ORAPFIUPILTZKR-KRWDZBQOSA-N 0 0 456.771 4.776 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc(C(=O)OC(C)(C)C)c1 ZINC001443270559 1066288699 /nfs/dbraw/zinc/28/86/99/1066288699.db2.gz XLNNYXVKANRYLA-UHFFFAOYSA-N 0 0 451.592 4.959 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(COC(C)(C)C)c2)no1 ZINC001361053236 1066288821 /nfs/dbraw/zinc/28/88/21/1066288821.db2.gz CQGZXGQEBJWCSM-MHZLTWQESA-N 0 0 497.640 4.615 20 0 JJADRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)cc1 ZINC001443278046 1066289052 /nfs/dbraw/zinc/28/90/52/1066289052.db2.gz AWOFUIHDSLNWMJ-SFHVURJKSA-N 0 0 451.592 4.953 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCCC2)no1 ZINC001361053431 1066289050 /nfs/dbraw/zinc/28/90/50/1066289050.db2.gz IQQAXQNKYBOBTR-KRWDZBQOSA-N 0 0 459.978 4.700 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)c(Cl)c4)n3)CCN2)c1 ZINC001454475693 1066289294 /nfs/dbraw/zinc/28/92/94/1066289294.db2.gz OMRQPNASYFSFNO-OAQYLSRUSA-N 0 0 458.345 4.976 20 0 JJADRN C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443293036 1066290474 /nfs/dbraw/zinc/29/04/74/1066290474.db2.gz LQJDRVCKMNZDFR-XMSQKQJNSA-N 0 0 458.002 4.891 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N[C@@H](CCO)c3cc(Cl)cc(Cl)c3)n2)c1 ZINC001454481388 1066290710 /nfs/dbraw/zinc/29/07/10/1066290710.db2.gz UQTFQEXRJVDFJI-KRWDZBQOSA-N 0 0 452.363 4.684 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)c2cccs2)no1 ZINC001361054658 1066290740 /nfs/dbraw/zinc/29/07/40/1066290740.db2.gz ANTRVLNMEHZZFG-OAQYLSRUSA-N 0 0 488.411 4.610 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[C@H]2CCO[C@H](C)C2)no1 ZINC001361054732 1066290942 /nfs/dbraw/zinc/29/09/42/1066290942.db2.gz DAZOYFIDUCIUKH-WBVHZDCISA-N 0 0 474.403 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H](CCO)c3cc(Cl)cc(Cl)c3)CCC[C@H]12 ZINC001454487677 1066291383 /nfs/dbraw/zinc/29/13/83/1066291383.db2.gz IYVVSGJWHGRRDF-NPPFBWRTSA-N 0 0 457.398 4.713 20 0 JJADRN CO[C@H](C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC001454486193 1066291403 /nfs/dbraw/zinc/29/14/03/1066291403.db2.gz AKDQFWRBBJGFQY-WFASDCNBSA-N 0 0 453.185 4.745 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(F)(F)F)no1 ZINC001361054815 1066291437 /nfs/dbraw/zinc/29/14/37/1066291437.db2.gz HHHPJJNGPKOKFQ-UHFFFAOYSA-N 0 0 459.476 4.857 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454489321 1066291906 /nfs/dbraw/zinc/29/19/06/1066291906.db2.gz JYIHYDAXCXQNRR-UYAOXDASSA-N 0 0 457.393 4.753 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCC(C)(F)F)no1 ZINC001361054901 1066292187 /nfs/dbraw/zinc/29/21/87/1066292187.db2.gz JZHDLPRFOFFNOQ-UHFFFAOYSA-N 0 0 458.282 4.825 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001443301157 1066292377 /nfs/dbraw/zinc/29/23/77/1066292377.db2.gz FQEQBBMLXKGSAG-GFCCVEGCSA-N 0 0 451.283 4.904 20 0 JJADRN Cc1[nH]c2c(cccc2C(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001454491671 1066292523 /nfs/dbraw/zinc/29/25/23/1066292523.db2.gz KRAMMPSMRCQMSG-HXUWFJFHSA-N 0 0 455.599 4.663 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCOC2CCCC2)no1 ZINC001361055007 1066292578 /nfs/dbraw/zinc/29/25/78/1066292578.db2.gz ONSUAXXDJGPYHK-UHFFFAOYSA-N 0 0 474.403 4.990 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC[C@H](F)C2)no1 ZINC001361055001 1066292634 /nfs/dbraw/zinc/29/26/34/1066292634.db2.gz OKMSCVDDCKNSJD-KGLIPLIRSA-N 0 0 466.330 4.918 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361055044 1066292700 /nfs/dbraw/zinc/29/27/00/1066292700.db2.gz POQHEJUXQXAEMR-IEBWSBKVSA-N 0 0 458.404 4.532 20 0 JJADRN COc1cccc([C@@H](O)C2CCN(C(=O)CCCc3ccc(Br)s3)CC2)c1 ZINC001454494579 1066292709 /nfs/dbraw/zinc/29/27/09/1066292709.db2.gz XQFOZIOLRKUZSP-NRFANRHFSA-N 0 0 452.414 4.814 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1n[nH]c2ccc(F)cc21)c1cccc(C(F)(F)F)c1 ZINC001443308022 1066292975 /nfs/dbraw/zinc/29/29/75/1066292975.db2.gz VUUMORUHWSXBMH-INIZCTEOSA-N 0 0 452.408 4.925 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443303628 1066293035 /nfs/dbraw/zinc/29/30/35/1066293035.db2.gz OPHGNPKOJIYWLD-VLCRHTCISA-N 0 0 455.396 4.720 20 0 JJADRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001454497055 1066293121 /nfs/dbraw/zinc/29/31/21/1066293121.db2.gz CZCFPTLLFLFFDY-MRXNPFEDSA-N 0 0 458.527 4.797 20 0 JJADRN COc1cccc([C@@H](O)C2CCN(C(=O)C(F)(F)c3ccc(Br)cc3)CC2)c1 ZINC001454498997 1066293165 /nfs/dbraw/zinc/29/31/65/1066293165.db2.gz PJZUNPSXUUDXSY-IBGZPJMESA-N 0 0 454.311 4.522 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 ZINC001546062216 1066293841 /nfs/dbraw/zinc/29/38/41/1066293841.db2.gz MPXWMZYAFURYEF-CVDCTZTESA-N 0 0 462.063 4.774 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(Cl)ccc2C1)OC ZINC001545956862 1066293709 /nfs/dbraw/zinc/29/37/09/1066293709.db2.gz KFOCOMLSELGBIU-GOSISDBHSA-N 0 0 478.822 4.687 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1-n1ccnc1 ZINC001443310817 1066293825 /nfs/dbraw/zinc/29/38/25/1066293825.db2.gz ILFJERFFEFICDR-MBSDFSHPSA-N 0 0 454.933 4.910 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC001443309627 1066293870 /nfs/dbraw/zinc/29/38/70/1066293870.db2.gz ZUHLWBWHXNGASX-UHFFFAOYSA-N 0 0 456.498 4.878 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454499716 1066293967 /nfs/dbraw/zinc/29/39/67/1066293967.db2.gz VYHQKTLHPNDTAF-XCJLJZCSSA-N 0 0 479.212 4.824 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCS2)no1 ZINC001361055613 1066294475 /nfs/dbraw/zinc/29/44/75/1066294475.db2.gz ZYMTYBLCOCERRW-CQSZACIVSA-N 0 0 468.446 4.988 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@H]2CCc3cccc(OC)c32)c2ccc(OC)cc2)n1 ZINC001361055847 1066294528 /nfs/dbraw/zinc/29/45/28/1066294528.db2.gz TWPOTMOZMLMSHK-SFHVURJKSA-N 0 0 452.532 4.732 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncnn2C(C)(C)C)no1 ZINC001361055610 1066294559 /nfs/dbraw/zinc/29/45/59/1066294559.db2.gz ZUBSNMPCNDKUBX-UHFFFAOYSA-N 0 0 462.602 4.570 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361056058 1066294923 /nfs/dbraw/zinc/29/49/23/1066294923.db2.gz APDQYIRLUYBUPP-UHFFFAOYSA-N 0 0 467.017 4.587 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545957086 1066295626 /nfs/dbraw/zinc/29/56/26/1066295626.db2.gz OUUSHACFYIOWFI-CRAIPNDOSA-N 0 0 478.435 5.000 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ncnn2C(C)(C)C)no1 ZINC001361056211 1066295716 /nfs/dbraw/zinc/29/57/16/1066295716.db2.gz HPRHIJYFASIRJU-UHFFFAOYSA-N 0 0 492.628 4.698 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361056281 1066295971 /nfs/dbraw/zinc/29/59/71/1066295971.db2.gz KFNHWHYJKXSTRC-FQEVSTJZSA-N 0 0 480.613 4.833 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2Cc2ccncc2Cl)no1 ZINC001361056320 1066296364 /nfs/dbraw/zinc/29/63/64/1066296364.db2.gz LXRMACLKUYQTEN-UHFFFAOYSA-N 0 0 491.752 4.876 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001443337989 1066296385 /nfs/dbraw/zinc/29/63/85/1066296385.db2.gz BTMGFTSZGUUQCB-HXUWFJFHSA-N 0 0 452.551 4.721 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCc2nc(C3CCCCC3)cs2)c1 ZINC001443336139 1066296557 /nfs/dbraw/zinc/29/65/57/1066296557.db2.gz NFTXLJFEDUCXND-UHFFFAOYSA-N 0 0 455.653 4.795 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@H]1C)OC ZINC001545957112 1066296597 /nfs/dbraw/zinc/29/65/97/1066296597.db2.gz PBJOOAWVWDAKMA-QAPCUYQASA-N 0 0 458.404 4.595 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001443337981 1066296612 /nfs/dbraw/zinc/29/66/12/1066296612.db2.gz BTMGFTSZGUUQCB-FQEVSTJZSA-N 0 0 452.551 4.721 20 0 JJADRN CC[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)Cc1cnn(C)c1)OC ZINC001545957099 1066296720 /nfs/dbraw/zinc/29/67/20/1066296720.db2.gz OYPMBJGWUJZTBY-HXUWFJFHSA-N 0 0 465.627 4.562 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CCCCO2)no1 ZINC001361056665 1066296996 /nfs/dbraw/zinc/29/69/96/1066296996.db2.gz YFFCNIMQGGXGJQ-QHCPKHFHSA-N 0 0 453.587 4.872 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCOCCC(C)C)no1 ZINC001361056641 1066297034 /nfs/dbraw/zinc/29/70/34/1066297034.db2.gz XSSQGBYNOJFKEA-UHFFFAOYSA-N 0 0 480.382 4.842 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001443342336 1066297030 /nfs/dbraw/zinc/29/70/30/1066297030.db2.gz KDVNGULOVVEZPT-FQEVSTJZSA-N 0 0 452.551 4.721 20 0 JJADRN CCON(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](C)c1cccc(Br)c1 ZINC001454537807 1066297353 /nfs/dbraw/zinc/29/73/53/1066297353.db2.gz GYGJRZAMJZLQBK-URTYCYGZSA-N 0 0 451.405 4.717 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(Cl)cc(Br)c3F)ccc2NC1=O ZINC001361056809 1066297642 /nfs/dbraw/zinc/29/76/42/1066297642.db2.gz CGSUTTJCDZSALU-RFAUZJTJSA-N 0 0 455.711 4.842 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3nccc4c(Br)cccc43)ccc2NC1=O ZINC001361057101 1066297785 /nfs/dbraw/zinc/29/77/85/1066297785.db2.gz IXXCEHZIPZHILP-SGTLLEGYSA-N 0 0 454.324 4.598 20 0 JJADRN CCON(C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1)[C@H](C)c1cccc(Br)c1 ZINC001454539859 1066297742 /nfs/dbraw/zinc/29/77/42/1066297742.db2.gz KFPQDNDIQIUBGD-ZIAGYGMSSA-N 0 0 453.764 4.762 20 0 JJADRN Cc1ncccc1CNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC001454539630 1066298009 /nfs/dbraw/zinc/29/80/09/1066298009.db2.gz FKKKSFDHFFYGBP-UHFFFAOYSA-N 0 0 457.502 4.652 20 0 JJADRN CCON(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@@H](C)c1cccc(Br)c1 ZINC001454541181 1066298324 /nfs/dbraw/zinc/29/83/24/1066298324.db2.gz MDRTVWHJODCROO-YCRPNKLZSA-N 0 0 458.356 4.514 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361057952 1066298429 /nfs/dbraw/zinc/29/84/29/1066298429.db2.gz RPVVHJVMANRNFM-LJQANCHMSA-N 0 0 450.587 4.540 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3nc4ccccc4cc3Br)ccc2NC1=O ZINC001361057874 1066298443 /nfs/dbraw/zinc/29/84/43/1066298443.db2.gz UUEOHHBIRLEWBR-XIKOKIGWSA-N 0 0 454.324 4.598 20 0 JJADRN COc1cc(C(=O)NC(C)(C)Cc2cccc(Br)c2)cc(OC)c1OC(F)F ZINC001361057857 1066298474 /nfs/dbraw/zinc/29/84/74/1066298474.db2.gz UJLBLIVWXQHQLJ-UHFFFAOYSA-N 0 0 458.299 4.819 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)OCc1cc(Cl)ccc1OC1CCCC1 ZINC001361059359 1066298916 /nfs/dbraw/zinc/29/89/16/1066298916.db2.gz IQRJQVCYTBSTGR-UHFFFAOYSA-N 0 0 458.864 4.693 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2sc(C)nc2C)C1 ZINC001546062371 1066298990 /nfs/dbraw/zinc/29/89/90/1066298990.db2.gz PNRBRFDDXLOZMQ-HSZRJFAPSA-N 0 0 473.046 4.610 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361059772 1066299587 /nfs/dbraw/zinc/29/95/87/1066299587.db2.gz FJQPFSFYDYNECZ-TWLCBMPQSA-N 0 0 497.684 4.889 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ncc(C)o2)c(Cl)cc1Cl ZINC001361060017 1066299701 /nfs/dbraw/zinc/29/97/01/1066299701.db2.gz RXNVSZQEVIJAAH-UHFFFAOYSA-N 0 0 454.335 4.757 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)no1 ZINC001361060427 1066300041 /nfs/dbraw/zinc/30/00/41/1066300041.db2.gz NWDLOLLYULRRPJ-LPHOPBHVSA-N 0 0 478.366 4.578 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361060312 1066300059 /nfs/dbraw/zinc/30/00/59/1066300059.db2.gz MCTMHUAZBDTELO-HXUWFJFHSA-N 0 0 457.619 4.768 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@@H](C)N1Cc2ccccc2C1=O)C(F)(F)F ZINC001361060204 1066300131 /nfs/dbraw/zinc/30/01/31/1066300131.db2.gz UYGPCCHJEIWTNG-IERDGZPVSA-N 0 0 457.452 4.680 20 0 JJADRN C[C@@](O)(C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358079 1066300482 /nfs/dbraw/zinc/30/04/82/1066300482.db2.gz ORGAGDZFQSGGSS-IRLDBZIGSA-N 0 0 454.920 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357445 1066300540 /nfs/dbraw/zinc/30/05/40/1066300540.db2.gz OJTDKHSNFRZRKG-LEWJYISDSA-N 0 0 450.023 4.504 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361060954 1066300505 /nfs/dbraw/zinc/30/05/05/1066300505.db2.gz ZGSNLUQITONOSV-JOCHJYFZSA-N 0 0 462.642 4.837 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361060955 1066300679 /nfs/dbraw/zinc/30/06/79/1066300679.db2.gz ZGSNLUQITONOSV-QFIPXVFZSA-N 0 0 462.642 4.837 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCOCC2)c1 ZINC001361060923 1066300801 /nfs/dbraw/zinc/30/08/01/1066300801.db2.gz YVIOYODYQOVQCX-HSZRJFAPSA-N 0 0 483.657 4.764 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545957382 1066300585 /nfs/dbraw/zinc/30/05/85/1066300585.db2.gz UWOOVTWETFFUIZ-VQTJNVASSA-N 0 0 494.640 4.578 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001454564861 1066301353 /nfs/dbraw/zinc/30/13/53/1066301353.db2.gz LXMCSZRUOQUQRS-WMZOPIPTSA-N 0 0 456.002 4.751 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@H](C)Cc3cccs3)nc2n1 ZINC001361062626 1066301631 /nfs/dbraw/zinc/30/16/31/1066301631.db2.gz BCCOIFLSKMBCRB-OAHLLOKOSA-N 0 0 451.621 4.704 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001454564879 1066301998 /nfs/dbraw/zinc/30/19/98/1066301998.db2.gz MLTZHPSJBFCKAK-LPHOPBHVSA-N 0 0 456.002 4.846 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001454564881 1066302049 /nfs/dbraw/zinc/30/20/49/1066302049.db2.gz MLTZHPSJBFCKAK-VQIMIIECSA-N 0 0 456.002 4.846 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1N ZINC001443361414 1066302086 /nfs/dbraw/zinc/30/20/86/1066302086.db2.gz IPOCWJYAMJFUAU-UHFFFAOYSA-N 0 0 451.324 4.819 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCCc2c(C)[nH]c3ccc(F)cc32)cc1OC ZINC001454572218 1066302347 /nfs/dbraw/zinc/30/23/47/1066302347.db2.gz ODYWROVVRHUTPY-UHFFFAOYSA-N 0 0 455.530 4.590 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C(C)(C)C1(C)C ZINC001443379043 1066303595 /nfs/dbraw/zinc/30/35/95/1066303595.db2.gz ISDCKSORKDXOBK-UHFFFAOYSA-N 0 0 450.019 4.899 20 0 JJADRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001443380564 1066303627 /nfs/dbraw/zinc/30/36/27/1066303627.db2.gz UWONXUGJWUZOOU-DEOSSOPVSA-N 0 0 459.546 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnc(-c3ccccc3Cl)nc2)CC(C)(C)C1 ZINC001454576015 1066303783 /nfs/dbraw/zinc/30/37/83/1066303783.db2.gz GLWGHYNDMBNMEB-KRWDZBQOSA-N 0 0 458.990 4.953 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)s1 ZINC001454574215 1066303855 /nfs/dbraw/zinc/30/38/55/1066303855.db2.gz BWWSIBWNOVGFGA-CQSZACIVSA-N 0 0 459.450 4.903 20 0 JJADRN Cc1cscc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C)c1 ZINC001361064369 1066303914 /nfs/dbraw/zinc/30/39/14/1066303914.db2.gz BLIHTVYVBBGHLU-UHFFFAOYSA-N 0 0 451.621 4.633 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCC[C@@H](O)C2)no1 ZINC001361064910 1066304349 /nfs/dbraw/zinc/30/43/49/1066304349.db2.gz XFEWBIZEYHPOCT-DENIHFKCSA-N 0 0 488.032 4.735 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001546063340 1066304459 /nfs/dbraw/zinc/30/44/59/1066304459.db2.gz OBQCTZAWBVNFHJ-UHFFFAOYSA-N 0 0 451.798 4.664 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC001361065202 1066304712 /nfs/dbraw/zinc/30/47/12/1066304712.db2.gz JNMAHBUSHJIZHL-QHCPKHFHSA-N 0 0 458.002 4.728 20 0 JJADRN CSCCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454584214 1066304809 /nfs/dbraw/zinc/30/48/09/1066304809.db2.gz PSYGEOWMMHBYFR-UHFFFAOYSA-N 0 0 458.580 4.713 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N(CCc1ccccc1)Cc1ccncc1 ZINC001361066184 1066305331 /nfs/dbraw/zinc/30/53/31/1066305331.db2.gz SRXXRZIAWSREPS-UHFFFAOYSA-N 0 0 453.336 4.500 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)CC[C@@H]1CC1(Cl)Cl ZINC001361065909 1066305431 /nfs/dbraw/zinc/30/54/31/1066305431.db2.gz KKBLTAPJSDAKGG-SECBINFHSA-N 0 0 450.189 4.641 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454589679 1066305217 /nfs/dbraw/zinc/30/52/17/1066305217.db2.gz RORNKZQBVBCVIA-DOMZBBRYSA-N 0 0 455.502 4.957 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001443393083 1066305275 /nfs/dbraw/zinc/30/52/75/1066305275.db2.gz PJDWJBDXONOKKU-UHFFFAOYSA-N 0 0 455.360 4.720 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN2)cc1 ZINC001454588345 1066305393 /nfs/dbraw/zinc/30/53/93/1066305393.db2.gz SPJGQKHXSADHTA-DBKQCEECSA-N 0 0 458.402 4.919 20 0 JJADRN CN(CC(C)(C)CN1CCOCC1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001546063417 1066305597 /nfs/dbraw/zinc/30/55/97/1066305597.db2.gz QIAXVVDFBILWIR-UHFFFAOYSA-N 0 0 457.684 4.996 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN2)cc1 ZINC001454588349 1066305636 /nfs/dbraw/zinc/30/56/36/1066305636.db2.gz SPJGQKHXSADHTA-GBVBSETHSA-N 0 0 458.402 4.919 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c(-c2cnn(C)c2)c1)[C@H](C)c1ccccn1 ZINC001361066473 1066305817 /nfs/dbraw/zinc/30/58/17/1066305817.db2.gz XOPXHXNIGICFPY-GOSISDBHSA-N 0 0 458.518 4.574 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CCN2)cc1 ZINC001454589933 1066305872 /nfs/dbraw/zinc/30/58/72/1066305872.db2.gz YOYAUWOKFLAORC-OAQYLSRUSA-N 0 0 457.452 4.688 20 0 JJADRN CCCc1c(C(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cnn1Cc1ccccc1 ZINC001454590538 1066306032 /nfs/dbraw/zinc/30/60/32/1066306032.db2.gz MOEZEBDSZISQBE-UHFFFAOYSA-N 0 0 452.599 4.546 20 0 JJADRN CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccc(OC)cc1 ZINC001443404125 1066305920 /nfs/dbraw/zinc/30/59/20/1066305920.db2.gz BMBPJPLOWAGGBN-HXUWFJFHSA-N 0 0 457.514 4.621 20 0 JJADRN CCCC[C@@H](O)CCC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454592578 1066306324 /nfs/dbraw/zinc/30/63/24/1066306324.db2.gz FOUJNWMCPJRUEZ-SJORKVTESA-N 0 0 454.405 4.942 20 0 JJADRN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1NS(C)(=O)=O ZINC001443407086 1066306590 /nfs/dbraw/zinc/30/65/90/1066306590.db2.gz LEFUEXKEBKPXOJ-UHFFFAOYSA-N 0 0 455.605 4.510 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@H]2C)no1 ZINC001361066753 1066307033 /nfs/dbraw/zinc/30/70/33/1066307033.db2.gz RCTDBXIOSBWKBV-GDBMZVCRSA-N 0 0 480.396 4.769 20 0 JJADRN CC1(C)CN(C(=O)c2cccn3c(I)cnc23)c2ccc(Cl)cc21 ZINC001454594586 1066307017 /nfs/dbraw/zinc/30/70/17/1066307017.db2.gz NDRNXNUMVNWLEN-UHFFFAOYSA-N 0 0 451.695 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N(Cc3ccccc3)C3CCCCC3)=NO2)CC1 ZINC001443406792 1066306856 /nfs/dbraw/zinc/30/68/56/1066306856.db2.gz KRVQZQAOZFJEPN-UHFFFAOYSA-N 0 0 455.599 4.894 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(F)cc2)c1 ZINC001443405369 1066306874 /nfs/dbraw/zinc/30/68/74/1066306874.db2.gz KGLGJEJVUSCKSQ-UHFFFAOYSA-N 0 0 454.567 4.951 20 0 JJADRN O=C(c1ccc(NCCN2CCOCC2)c(Cl)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC001443409488 1066307372 /nfs/dbraw/zinc/30/73/72/1066307372.db2.gz QGPQEDDQBSGZCX-UHFFFAOYSA-N 0 0 459.993 4.808 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001443411892 1066307787 /nfs/dbraw/zinc/30/77/87/1066307787.db2.gz VTHNWCZNPSXWCH-UHFFFAOYSA-N 0 0 456.590 4.611 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)C12CCCCC2 ZINC001361067785 1066307772 /nfs/dbraw/zinc/30/77/72/1066307772.db2.gz BXUBOKUTVBZPHU-SFTDATJTSA-N 0 0 456.656 4.952 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545958302 1066307975 /nfs/dbraw/zinc/30/79/75/1066307975.db2.gz ASMWVGBVBSESKO-ICSRJNTNSA-N 0 0 457.619 4.883 20 0 JJADRN CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001546063541 1066308018 /nfs/dbraw/zinc/30/80/18/1066308018.db2.gz WKZVSGYDABJARO-UHFFFAOYSA-N 0 0 456.530 4.744 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545958347 1066308489 /nfs/dbraw/zinc/30/84/89/1066308489.db2.gz BIPDPPQZNLUDAQ-IBGZPJMESA-N 0 0 476.021 4.661 20 0 JJADRN COc1ccccc1C(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC001443416563 1066308543 /nfs/dbraw/zinc/30/85/43/1066308543.db2.gz OZYYHUQDJQXTHV-UHFFFAOYSA-N 0 0 452.576 4.778 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001454603648 1066308845 /nfs/dbraw/zinc/30/88/45/1066308845.db2.gz KYDLDKWSQPCLIH-MRVPVSSYSA-N 0 0 457.289 4.547 20 0 JJADRN CN(C)c1cncc(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001454602193 1066308879 /nfs/dbraw/zinc/30/88/79/1066308879.db2.gz CKYXFJFLMBBYOQ-UHFFFAOYSA-N 0 0 458.562 4.795 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 ZINC001361069327 1066308988 /nfs/dbraw/zinc/30/89/88/1066308988.db2.gz SNYZFCQBQBVLCJ-UHFFFAOYSA-N 0 0 456.911 4.696 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)OC ZINC001545958355 1066309001 /nfs/dbraw/zinc/30/90/01/1066309001.db2.gz BKXMEESJTWRRHQ-CRAIPNDOSA-N 0 0 462.367 4.594 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545958376 1066309051 /nfs/dbraw/zinc/30/90/51/1066309051.db2.gz BRKIJUOEEPCLQF-GOEBONIOSA-N 0 0 481.439 4.575 20 0 JJADRN COc1ccc([C@H](NC(=O)CNc2ccccc2OC)c2ccccc2)cc1Br ZINC001443418433 1066309103 /nfs/dbraw/zinc/30/91/03/1066309103.db2.gz USPKSKQBRWWGKI-HSZRJFAPSA-N 0 0 455.352 4.784 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCSC[C@H]2C)no1 ZINC001361070129 1066309230 /nfs/dbraw/zinc/30/92/30/1066309230.db2.gz DAYHCZMLWUMTRM-NVXWUHKLSA-N 0 0 462.019 4.975 20 0 JJADRN Cc1cc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)ccc1C(F)(F)F ZINC001361069824 1066309419 /nfs/dbraw/zinc/30/94/19/1066309419.db2.gz XDSSTEUUCFQHPT-UHFFFAOYSA-N 0 0 454.246 4.515 20 0 JJADRN CC(C)c1ccc(Oc2cc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)ccn2)cc1 ZINC001454610258 1066309746 /nfs/dbraw/zinc/30/97/46/1066309746.db2.gz YVHOMHWNQWJIER-UHFFFAOYSA-N 0 0 457.571 4.611 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)cs1 ZINC001361070624 1066309791 /nfs/dbraw/zinc/30/97/91/1066309791.db2.gz QOHJZLDKUGPKHH-MRXNPFEDSA-N 0 0 474.030 4.582 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545958426 1066309924 /nfs/dbraw/zinc/30/99/24/1066309924.db2.gz CQPPOVZOXIBSTL-MRXNPFEDSA-N 0 0 463.916 4.583 20 0 JJADRN CCN(CCCNC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c21)C(=O)OC(C)(C)C ZINC001443426396 1066310294 /nfs/dbraw/zinc/31/02/94/1066310294.db2.gz GQPOKVHAVPDAMK-UHFFFAOYSA-N 0 0 456.543 4.983 20 0 JJADRN CCOC(=O)c1nnn(C2CCN(C(=O)[C@@H](CC3CCCCC3)C(C)C)CC2)c1C(F)F ZINC001454615714 1066310416 /nfs/dbraw/zinc/31/04/16/1066310416.db2.gz AFKVJKPFGSNWGY-SFHVURJKSA-N 0 0 454.562 4.799 20 0 JJADRN COc1cccc(CC2(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)CCCCC2)c1 ZINC001454615728 1066310477 /nfs/dbraw/zinc/31/04/77/1066310477.db2.gz HSHRRVJTQXWKQJ-NRFANRHFSA-N 0 0 458.961 4.902 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2cccn2)C1 ZINC001546063857 1066310526 /nfs/dbraw/zinc/31/05/26/1066310526.db2.gz DUNVRGYCULEXEB-JOCHJYFZSA-N 0 0 473.419 4.629 20 0 JJADRN CN(CCOc1ccccc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C(=O)OC(C)(C)C ZINC001454626017 1066310869 /nfs/dbraw/zinc/31/08/69/1066310869.db2.gz DYEDFLDNWGIFMF-BVYCBKJFSA-N 0 0 456.970 4.654 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCc2cnccn2)cs1 ZINC001361071010 1066311015 /nfs/dbraw/zinc/31/10/15/1066311015.db2.gz BIDSXBJDPRJWPI-UHFFFAOYSA-N 0 0 475.441 4.656 20 0 JJADRN COc1cccc([C@H](C)CCCC(=O)Nc2[nH]nc(C)c2C(=O)Nc2ccccc2OC)c1 ZINC001454629284 1066311696 /nfs/dbraw/zinc/31/16/96/1066311696.db2.gz KGEVAPMFHCRFHM-MRXNPFEDSA-N 0 0 450.539 4.900 20 0 JJADRN O=C(c1cc(I)ccc1O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001454627807 1066311834 /nfs/dbraw/zinc/31/18/34/1066311834.db2.gz WMFDMBLLOCISQO-GOSISDBHSA-N 0 0 455.295 4.811 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)N1CCO[C@H](CC)C1 ZINC001454629076 1066311877 /nfs/dbraw/zinc/31/18/77/1066311877.db2.gz RJTCLPZRJATTDI-RTBURBONSA-N 0 0 450.505 4.596 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958709 1066311998 /nfs/dbraw/zinc/31/19/98/1066311998.db2.gz JNNCLDPWUGUATI-BFYDXBDKSA-N 0 0 495.466 4.964 20 0 JJADRN CN(C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001454627827 1066312022 /nfs/dbraw/zinc/31/20/22/1066312022.db2.gz VTAOATVYWVCCPW-IVHGUIJPSA-N 0 0 458.627 4.824 20 0 JJADRN CCc1nc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)s3)CC2)no1 ZINC001443446435 1066312274 /nfs/dbraw/zinc/31/22/74/1066312274.db2.gz BJMCFSNVKTXMJJ-UHFFFAOYSA-N 0 0 451.379 4.625 20 0 JJADRN Cc1csc(Nc2ccc(NC(=O)CCNC(=O)c3ccc(Br)cc3)cc2)n1 ZINC001443447868 1066312510 /nfs/dbraw/zinc/31/25/10/1066312510.db2.gz IGCOVWPBFFOTPN-UHFFFAOYSA-N 0 0 459.369 4.716 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)o1 ZINC001361072016 1066312300 /nfs/dbraw/zinc/31/23/00/1066312300.db2.gz TXWUAUZLIIIAHD-RUZDIDTESA-N 0 0 456.546 4.774 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001454630189 1066312455 /nfs/dbraw/zinc/31/24/55/1066312455.db2.gz AARIQKFMZWICGZ-NUTKFTJISA-N 0 0 457.796 4.927 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)C1 ZINC001454631436 1066312512 /nfs/dbraw/zinc/31/25/12/1066312512.db2.gz IBVRKNYNFRSOJS-HUUCEWRRSA-N 0 0 453.505 4.929 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC001443447188 1066312700 /nfs/dbraw/zinc/31/27/00/1066312700.db2.gz GBMQMYXUIMHTOR-JOCHJYFZSA-N 0 0 456.586 4.826 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C1 ZINC001443452219 1066312912 /nfs/dbraw/zinc/31/29/12/1066312912.db2.gz FICCHPUMSWKNLY-PXNSSMCTSA-N 0 0 458.628 4.633 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492597869 1066312949 /nfs/dbraw/zinc/31/29/49/1066312949.db2.gz CZTJQHXRTLRNSJ-UHFFFAOYSA-N 0 0 451.518 4.893 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)c2ccccc2)no1 ZINC001361072180 1066313184 /nfs/dbraw/zinc/31/31/84/1066313184.db2.gz YGBZTFJSUCPGDV-AWEZNQCLSA-N 0 0 455.360 4.620 20 0 JJADRN Cc1cn2cc(CC(=O)N3CCCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)nc2s1 ZINC001443452939 1066313586 /nfs/dbraw/zinc/31/35/86/1066313586.db2.gz BNXLHZBDLIKXQT-QGZVFWFLSA-N 0 0 451.379 4.573 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)CCc2cccc(Cl)c2)cc1 ZINC001443453187 1066313656 /nfs/dbraw/zinc/31/36/56/1066313656.db2.gz SKJAEWQSVHOYRT-UHFFFAOYSA-N 0 0 450.966 4.917 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NCc1ccncc1Br ZINC001454637546 1066313776 /nfs/dbraw/zinc/31/37/76/1066313776.db2.gz SYYQTQQKOHPDBE-UHFFFAOYSA-N 0 0 455.352 4.551 20 0 JJADRN COC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12 ZINC001454636640 1066313815 /nfs/dbraw/zinc/31/38/15/1066313815.db2.gz ZHVLACJBOPZXRE-UHFFFAOYSA-N 0 0 454.482 4.787 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)n2)ccc1F ZINC001361072583 1066313740 /nfs/dbraw/zinc/31/37/40/1066313740.db2.gz IHKXISDHEZYJBH-UHFFFAOYSA-N 0 0 457.918 4.851 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC[C@@](O)(CC)C2)c1=S ZINC001454650124 1066314121 /nfs/dbraw/zinc/31/41/21/1066314121.db2.gz FQBRYJFWAKGHQM-QFIPXVFZSA-N 0 0 451.036 4.688 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)/C=C\c3ccccc3OC(F)(F)F)c2)cn1 ZINC001361073334 1066314072 /nfs/dbraw/zinc/31/40/72/1066314072.db2.gz FQMPIWIFDJWNCU-LUAWRHEFSA-N 0 0 457.408 4.893 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@](CO)(c4ccccc4)C3)ccc21 ZINC001454650191 1066314307 /nfs/dbraw/zinc/31/43/07/1066314307.db2.gz GZQXDFOCVZSTKT-MHZLTWQESA-N 0 0 450.579 4.541 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C1 ZINC001546064147 1066314722 /nfs/dbraw/zinc/31/47/22/1066314722.db2.gz KARXLJUQAOILKQ-NRFANRHFSA-N 0 0 462.367 4.858 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC001443463910 1066314659 /nfs/dbraw/zinc/31/46/59/1066314659.db2.gz OCFLMAUJOPHFBB-XMMPIXPASA-N 0 0 456.546 4.908 20 0 JJADRN Cc1cc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)ccc1F ZINC001361073914 1066314946 /nfs/dbraw/zinc/31/49/46/1066314946.db2.gz SJIHEFVHQVVPPR-HXUWFJFHSA-N 0 0 482.604 4.615 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1)OC ZINC001545959432 1066315098 /nfs/dbraw/zinc/31/50/98/1066315098.db2.gz VRQDIXXAIBKBIW-UNMCSNQZSA-N 0 0 463.022 4.578 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545959433 1066315294 /nfs/dbraw/zinc/31/52/94/1066315294.db2.gz VSOAHHTYANISCU-IBGZPJMESA-N 0 0 484.622 4.548 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454654308 1066315400 /nfs/dbraw/zinc/31/54/00/1066315400.db2.gz GCPOHVAQLPTICY-IPMKNSEASA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001454654756 1066315809 /nfs/dbraw/zinc/31/58/09/1066315809.db2.gz GSFFTQVQBZAIFF-AWEZNQCLSA-N 0 0 451.539 4.998 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@H]1C ZINC001492597919 1066315994 /nfs/dbraw/zinc/31/59/94/1066315994.db2.gz DTBYFOUZVORWRN-NLFFAJNJSA-N 0 0 454.640 4.695 20 0 JJADRN CCSCC[C@@H](C)N(C)C(=O)c1ccc(I)c(Br)c1 ZINC001361075299 1066316030 /nfs/dbraw/zinc/31/60/30/1066316030.db2.gz BMDLTZJLKYGGNU-SNVBAGLBSA-N 0 0 456.187 4.657 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545959065 1066316244 /nfs/dbraw/zinc/31/62/44/1066316244.db2.gz PFOSESSWZQIOGA-SFHLNBCPSA-N 0 0 490.048 4.765 20 0 JJADRN Cc1cc(C)n([C@@H](C)CC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)n1 ZINC001443482267 1066316263 /nfs/dbraw/zinc/31/62/63/1066316263.db2.gz TWLPNEMURNOTQF-KRWDZBQOSA-N 0 0 459.363 4.977 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001454656078 1066316292 /nfs/dbraw/zinc/31/62/92/1066316292.db2.gz MHCXKVUGUZQTBB-INIZCTEOSA-N 0 0 453.967 4.818 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC(F)(F)F)ccc1F ZINC001361077502 1066316939 /nfs/dbraw/zinc/31/69/39/1066316939.db2.gz RLCLHHZHWRQJNY-UHFFFAOYSA-N 0 0 485.526 4.887 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCCCC2)no1 ZINC001361077390 1066316963 /nfs/dbraw/zinc/31/69/63/1066316963.db2.gz PFQIQHFLFGIRJR-SFHVURJKSA-N 0 0 458.607 4.506 20 0 JJADRN Cc1cc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)ccc1F ZINC001361077366 1066316997 /nfs/dbraw/zinc/31/69/97/1066316997.db2.gz OTCZFRZWEPLYDG-UHFFFAOYSA-N 0 0 457.594 4.783 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)cs1 ZINC001361077466 1066317053 /nfs/dbraw/zinc/31/70/53/1066317053.db2.gz QQNXRSVJMGCZBJ-MJGOQNOKSA-N 0 0 477.700 4.753 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(OC(C)C)c2)cc1 ZINC001454658293 1066317114 /nfs/dbraw/zinc/31/71/14/1066317114.db2.gz MPHNFXBRWPPNES-UHFFFAOYSA-N 0 0 455.374 4.640 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001454660008 1066317137 /nfs/dbraw/zinc/31/71/37/1066317137.db2.gz NFBWGFQIQNUBGI-NRXGSXMXSA-N 0 0 456.302 4.776 20 0 JJADRN COC(=O)[C@@H](CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)Cc1cccc(F)c1 ZINC001443488220 1066317426 /nfs/dbraw/zinc/31/74/26/1066317426.db2.gz JTPRNLUEACXNCG-MRXNPFEDSA-N 0 0 458.530 4.514 20 0 JJADRN CC(=O)c1cc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)ccc1OC(C)C ZINC001443492673 1066317650 /nfs/dbraw/zinc/31/76/50/1066317650.db2.gz JMIGHLAWAMNXTO-UHFFFAOYSA-N 0 0 459.568 4.678 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001361079574 1066318678 /nfs/dbraw/zinc/31/86/78/1066318678.db2.gz HLGMLJXTEKNRJZ-OAQYLSRUSA-N 0 0 456.876 4.955 20 0 JJADRN CCSc1ccc(CC(=O)N2CCC(c3nncn3C(C)C)CC2)c(Br)c1 ZINC001443494864 1066318873 /nfs/dbraw/zinc/31/88/73/1066318873.db2.gz RKYVLLNMJWGNGS-UHFFFAOYSA-N 0 0 451.434 4.682 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCC2(F)F)C1 ZINC001546064338 1066319060 /nfs/dbraw/zinc/31/90/60/1066319060.db2.gz NBWIBRDFQBKWLJ-GCJKJVERSA-N 0 0 466.598 4.801 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080544 1066319029 /nfs/dbraw/zinc/31/90/29/1066319029.db2.gz MRQUAPZAYYBBGN-UGKGYDQZSA-N 0 0 496.681 4.812 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](COC(C)C)C2)cs1 ZINC001361080384 1066319167 /nfs/dbraw/zinc/31/91/67/1066319167.db2.gz GXNCHAVRSGSXIM-NRFANRHFSA-N 0 0 461.031 4.571 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N(C)Cc2ccccc2OCc2ccccc2)s1 ZINC001454685216 1066319417 /nfs/dbraw/zinc/31/94/17/1066319417.db2.gz FXHRLIUELBPRMQ-UHFFFAOYSA-N 0 0 452.580 4.618 20 0 JJADRN CCc1c(NC(=O)c2scnc2Br)n[nH]c1-c1ccc(Br)cc1 ZINC001443497793 1066319348 /nfs/dbraw/zinc/31/93/48/1066319348.db2.gz KMIWVXCXIVKMJB-UHFFFAOYSA-N 0 0 456.163 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1 ZINC001443503026 1066319475 /nfs/dbraw/zinc/31/94/75/1066319475.db2.gz HKDAOEYPXJMLRV-FSNWXROXSA-N 0 0 455.580 4.887 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OCc1ccccc1 ZINC001454688354 1066319463 /nfs/dbraw/zinc/31/94/63/1066319463.db2.gz ZVTBTFPWELWXEO-OAQYLSRUSA-N 0 0 458.624 4.870 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361080692 1066319676 /nfs/dbraw/zinc/31/96/76/1066319676.db2.gz SDHDWJOUKZEELB-KXBFYZLASA-N 0 0 473.668 4.698 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cc(Br)cs2)no1 ZINC001361080611 1066319835 /nfs/dbraw/zinc/31/98/35/1066319835.db2.gz PVBWSNHAYWGXCP-UHFFFAOYSA-N 0 0 476.375 4.813 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(Cl)=C(Cl)C2)cs1 ZINC001361081144 1066320043 /nfs/dbraw/zinc/32/00/43/1066320043.db2.gz JGZIBZXGTMAZBE-UHFFFAOYSA-N 0 0 468.435 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC001454692586 1066320277 /nfs/dbraw/zinc/32/02/77/1066320277.db2.gz WVNGHXSYLFSVGA-UHFFFAOYSA-N 0 0 456.930 4.839 20 0 JJADRN Cc1cc(-c2csc(NC(=O)c3cc(F)cc(I)c3N)n2)c(C)o1 ZINC001443509071 1066320642 /nfs/dbraw/zinc/32/06/42/1066320642.db2.gz MNWMEMWPBZHWKF-UHFFFAOYSA-N 0 0 457.268 4.598 20 0 JJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)CC[C@H](O)c3ccc(C(C)(C)C)cc3)n2)o1 ZINC001443509105 1066320673 /nfs/dbraw/zinc/32/06/73/1066320673.db2.gz YEGAFTHUCIUASO-FQEVSTJZSA-N 0 0 455.580 4.789 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)c2ccccc2N(C)C1=O ZINC001361081559 1066320700 /nfs/dbraw/zinc/32/07/00/1066320700.db2.gz JOMZAFJHZRTXLH-SNVBAGLBSA-N 0 0 459.237 4.866 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001546064540 1066320968 /nfs/dbraw/zinc/32/09/68/1066320968.db2.gz REOFMONEBGYQFY-SFTDATJTSA-N 0 0 487.592 4.663 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001546064539 1066320995 /nfs/dbraw/zinc/32/09/95/1066320995.db2.gz REOFMONEBGYQFY-RTWAWAEBSA-N 0 0 487.592 4.663 20 0 JJADRN C[C@@H]1CN(C(=O)c2scc(Br)c2Br)c2ccccc2N(C)C1=O ZINC001361081713 1066321065 /nfs/dbraw/zinc/32/10/65/1066321065.db2.gz LFHSKNBSDYUEFS-SECBINFHSA-N 0 0 458.175 4.532 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCO[C@H]2C(C)C)C1 ZINC001546064574 1066321466 /nfs/dbraw/zinc/32/14/66/1066321466.db2.gz RTHOTRUZOVQINM-QGUBCYKSSA-N 0 0 472.630 4.658 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC001454697111 1066321483 /nfs/dbraw/zinc/32/14/83/1066321483.db2.gz VHUHKUNFQLLHOJ-LJQANCHMSA-N 0 0 451.350 4.867 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)Oc1cccc(Cl)c1 ZINC001361083248 1066321603 /nfs/dbraw/zinc/32/16/03/1066321603.db2.gz SMXNYNZZVCFCCF-YWZLYKJASA-N 0 0 450.938 4.671 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001361082651 1066321635 /nfs/dbraw/zinc/32/16/35/1066321635.db2.gz IFRPAHRJJUECLX-DJJJIMSYSA-N 0 0 455.769 4.835 20 0 JJADRN Cc1cc(Cn2c(N(C)CC(=O)NC(C)(C)C)nnc2C2(c3ccccc3)CCC2)cs1 ZINC001361083346 1066321773 /nfs/dbraw/zinc/32/17/73/1066321773.db2.gz CVLPYGOSTGJLLO-UHFFFAOYSA-N 0 0 451.640 4.517 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001546064599 1066322052 /nfs/dbraw/zinc/32/20/52/1066322052.db2.gz SJHROZCPKKWPIM-WMZHIEFXSA-N 0 0 467.992 4.581 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)no1 ZINC001361083557 1066322113 /nfs/dbraw/zinc/32/21/13/1066322113.db2.gz GPSHBMZEJHIEGT-ZWKOTPCHSA-N 0 0 455.628 4.830 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC001454704943 1066322477 /nfs/dbraw/zinc/32/24/77/1066322477.db2.gz BWEWHGNFUCIXQS-QLDXUVASSA-N 0 0 450.579 4.622 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(OCCC(C)C)CC2)no1 ZINC001361084085 1066322520 /nfs/dbraw/zinc/32/25/20/1066322520.db2.gz MPEMSVMSULEMOJ-UHFFFAOYSA-N 0 0 474.005 4.887 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1F ZINC001361084370 1066322742 /nfs/dbraw/zinc/32/27/42/1066322742.db2.gz ORZHQWJFIPBLOM-JQERWDHBSA-N 0 0 484.538 4.849 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC001454704938 1066322749 /nfs/dbraw/zinc/32/27/49/1066322749.db2.gz BWEWHGNFUCIXQS-CVXFHFCUSA-N 0 0 450.579 4.622 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001454705956 1066322810 /nfs/dbraw/zinc/32/28/10/1066322810.db2.gz DUHHYHKSOPECGR-LEWJYISDSA-N 0 0 480.561 4.830 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c(O)c1 ZINC001454706066 1066322861 /nfs/dbraw/zinc/32/28/61/1066322861.db2.gz FUCXUDSSFQAHOQ-UONOGXRCSA-N 0 0 455.502 4.752 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)C1 ZINC001454707348 1066323051 /nfs/dbraw/zinc/32/30/51/1066323051.db2.gz ANLKYUWCBGIXPC-YWPUVDOUSA-N 0 0 485.625 4.725 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)C1 ZINC001454707371 1066323151 /nfs/dbraw/zinc/32/31/51/1066323151.db2.gz ANLKYUWCBGIXPC-ZQXKXVTRSA-N 0 0 485.625 4.725 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 ZINC001454706784 1066323283 /nfs/dbraw/zinc/32/32/83/1066323283.db2.gz GIDLAONKOZSCGT-XZOQPEGZSA-N 0 0 481.593 4.615 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C)[C@@H](O)C2)cs1 ZINC001361084572 1066323163 /nfs/dbraw/zinc/32/31/63/1066323163.db2.gz VNRCKGHVVUWQEF-ACJLOTCBSA-N 0 0 467.422 4.789 20 0 JJADRN COc1ccc(/C=C/C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001454708148 1066323650 /nfs/dbraw/zinc/32/36/50/1066323650.db2.gz CNBQOATZUZFWBC-XSSIKURBSA-N 0 0 452.551 4.762 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)(C)C)C2)no1 ZINC001361084644 1066323605 /nfs/dbraw/zinc/32/36/05/1066323605.db2.gz UCXVTLDVMAXGFI-HKUYNNGSSA-N 0 0 458.607 4.567 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2nccs2)cs1 ZINC001361084880 1066323661 /nfs/dbraw/zinc/32/36/61/1066323661.db2.gz ZBOSQMQSKIEVOV-KRWDZBQOSA-N 0 0 474.656 4.861 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531698 1066323902 /nfs/dbraw/zinc/32/39/02/1066323902.db2.gz NTARGJPXZNBORG-MGPUTAFESA-N 0 0 451.405 4.850 20 0 JJADRN CC(=O)CC(C)(C)CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001361085388 1066324196 /nfs/dbraw/zinc/32/41/96/1066324196.db2.gz CABMSZRVNKEJIN-UHFFFAOYSA-N 0 0 451.386 4.539 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)Sc1ccc(Br)cc1 ZINC001443531761 1066324470 /nfs/dbraw/zinc/32/44/70/1066324470.db2.gz OUNHYKGTDBYKME-WMLDXEAASA-N 0 0 457.434 4.836 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1C ZINC001361086181 1066324546 /nfs/dbraw/zinc/32/45/46/1066324546.db2.gz MPDFRRHBIWAORZ-UHFFFAOYSA-N 0 0 451.494 4.503 20 0 JJADRN C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC001361085933 1066324846 /nfs/dbraw/zinc/32/48/46/1066324846.db2.gz SHWDETWEYQTSQC-QGZVFWFLSA-N 0 0 454.979 4.752 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454712782 1066324926 /nfs/dbraw/zinc/32/49/26/1066324926.db2.gz ZUGASOFRXBXGQA-ZRBLBEILSA-N 0 0 480.609 4.530 20 0 JJADRN CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC001454715503 1066325423 /nfs/dbraw/zinc/32/54/23/1066325423.db2.gz HGXDJMKUSDUESN-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN CC[C@](O)(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001454714639 1066325557 /nfs/dbraw/zinc/32/55/57/1066325557.db2.gz RCGWXMNUTIXXKY-CRICUBBOSA-N 0 0 458.986 4.983 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cscn2)n1C[C@@H]1CCCO1 ZINC001361087215 1066325838 /nfs/dbraw/zinc/32/58/38/1066325838.db2.gz CAYAWNLBWUDDFE-IBGZPJMESA-N 0 0 462.019 4.523 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccc(OC)cc2)C1 ZINC001546064774 1066325939 /nfs/dbraw/zinc/32/59/39/1066325939.db2.gz VUTOPFLBMHUDCY-UIOOFZCWSA-N 0 0 456.631 4.587 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCCCC2)C1 ZINC001546064792 1066326545 /nfs/dbraw/zinc/32/65/45/1066326545.db2.gz WGBYYVRIVDVTKT-AOYPEHQESA-N 0 0 462.679 4.932 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n2)c(C)c1 ZINC001443536592 1066326431 /nfs/dbraw/zinc/32/64/31/1066326431.db2.gz IHKFZKTYHZVKOZ-LJQANCHMSA-N 0 0 455.584 4.707 20 0 JJADRN CCN1C(=S)N=NC1C1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 ZINC001443536583 1066326491 /nfs/dbraw/zinc/32/64/91/1066326491.db2.gz WHQGOXJORYWXRJ-UHFFFAOYSA-N 0 0 454.046 4.753 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001443537857 1066326518 /nfs/dbraw/zinc/32/65/18/1066326518.db2.gz KAHSZSGRTYPPJO-GCJKJVERSA-N 0 0 451.567 4.906 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ncc(Cl)n2C)n1[C@@H]1C[C@H]1C ZINC001361087432 1066326725 /nfs/dbraw/zinc/32/67/25/1066326725.db2.gz KKZCFOXDMVZVLX-RHSMWYFYSA-N 0 0 463.413 4.856 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001361087500 1066326906 /nfs/dbraw/zinc/32/69/06/1066326906.db2.gz MKPVJSOCUFUMEX-SWYRRKHMSA-N 0 0 491.076 4.665 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ncc(Cl)n2C)n1[C@@H]1C[C@@H]1C ZINC001361087433 1066326982 /nfs/dbraw/zinc/32/69/82/1066326982.db2.gz KKZCFOXDMVZVLX-WMLDXEAASA-N 0 0 463.413 4.856 20 0 JJADRN COc1ccc(CCC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1OC ZINC001443539443 1066327299 /nfs/dbraw/zinc/32/72/99/1066327299.db2.gz GJISCOKQNCTDCT-UHFFFAOYSA-N 0 0 459.546 4.865 20 0 JJADRN COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001361087626 1066327226 /nfs/dbraw/zinc/32/72/26/1066327226.db2.gz CSSLGNZUVANBAL-UHFFFAOYSA-N 0 0 456.545 4.526 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCCCC2)n1CC[C@H]1COCCO1 ZINC001361087657 1066327261 /nfs/dbraw/zinc/32/72/61/1066327261.db2.gz NUPFOPKHGSJSNJ-QFIPXVFZSA-N 0 0 477.049 4.826 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001454729981 1066327492 /nfs/dbraw/zinc/32/74/92/1066327492.db2.gz KXBXQVPKYDQYBP-FQEVSTJZSA-N 0 0 451.876 4.554 20 0 JJADRN CCCCc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC001443541037 1066327432 /nfs/dbraw/zinc/32/74/32/1066327432.db2.gz QDIMSPTUDBLCIE-UHFFFAOYSA-N 0 0 457.621 4.768 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)c3ccccc3NC(=O)OCc3ccccc3)cc2)o1 ZINC001443547767 1066327770 /nfs/dbraw/zinc/32/77/70/1066327770.db2.gz ZZWIYPJKSWALGC-UHFFFAOYSA-N 0 0 458.474 4.958 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1cc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC001454734553 1066328241 /nfs/dbraw/zinc/32/82/41/1066328241.db2.gz HDCIAVPFLVSEFI-HXUWFJFHSA-N 0 0 453.514 4.737 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(F)(F)F)n1C[C@](C)(O)c1ccco1 ZINC001361087982 1066328846 /nfs/dbraw/zinc/32/88/46/1066328846.db2.gz QLUUKXSLGCEXNV-NRFANRHFSA-N 0 0 486.922 4.751 20 0 JJADRN COc1cccc(CC2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC001454736300 1066328940 /nfs/dbraw/zinc/32/89/40/1066328940.db2.gz WYTHZIDIVXFIRI-UHFFFAOYSA-N 0 0 457.983 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC001443569658 1066329248 /nfs/dbraw/zinc/32/92/48/1066329248.db2.gz QUWBUYCBIMOUSQ-ZOWXZIJZSA-N 0 0 457.474 4.636 20 0 JJADRN Cc1ccc(C(=O)NCc2cc(F)c(Br)cc2F)cc1NC(=O)NC(C)(C)C ZINC001454738595 1066329566 /nfs/dbraw/zinc/32/95/66/1066329566.db2.gz RYBGDBSTGLCBRD-UHFFFAOYSA-N 0 0 454.315 4.886 20 0 JJADRN Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)c(Cl)c1 ZINC001443567905 1066329349 /nfs/dbraw/zinc/32/93/49/1066329349.db2.gz KBKUBEIYIMLIAC-DEOSSOPVSA-N 0 0 450.941 4.714 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001454742553 1066329914 /nfs/dbraw/zinc/32/99/14/1066329914.db2.gz XPKYPLKPBFTOSE-GGAORHGYSA-N 0 0 470.447 4.625 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCCC(=O)N(C)C ZINC001361088288 1066330333 /nfs/dbraw/zinc/33/03/33/1066330333.db2.gz HMULLIRQQOCHKR-ICSRJNTNSA-N 0 0 476.065 4.602 20 0 JJADRN Cc1cc(C(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccc(F)cc2n1 ZINC001454745848 1066330410 /nfs/dbraw/zinc/33/04/10/1066330410.db2.gz YOAOKTLHKCBWHF-FQEVSTJZSA-N 0 0 451.542 4.938 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC001454747713 1066330458 /nfs/dbraw/zinc/33/04/58/1066330458.db2.gz VUFWNYDSNIGUMB-FQEVSTJZSA-N 0 0 452.378 4.779 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001443578094 1066330576 /nfs/dbraw/zinc/33/05/76/1066330576.db2.gz FANSBIHGEJJXPO-CDMIOBSGSA-N 0 0 450.535 4.887 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC[C@H](C)C2)n1CCCn1ccnn1 ZINC001361088299 1066330517 /nfs/dbraw/zinc/33/05/17/1066330517.db2.gz HTKUBSUPHUISHZ-IBGZPJMESA-N 0 0 472.037 4.560 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](COC)OC)C1 ZINC001546064966 1066330716 /nfs/dbraw/zinc/33/07/16/1066330716.db2.gz ZVOJIUKEQWABSD-YADARESESA-N 0 0 455.628 4.665 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCSC2)cnn1C ZINC001361088363 1066331016 /nfs/dbraw/zinc/33/10/16/1066331016.db2.gz UEQXXJUKPWEIDW-LJQANCHMSA-N 0 0 489.089 4.683 20 0 JJADRN CCOC(=O)Nc1ccc(OC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)cc1 ZINC001443578801 1066331385 /nfs/dbraw/zinc/33/13/85/1066331385.db2.gz JWVGMPUIQZASNA-INIZCTEOSA-N 0 0 450.329 4.818 20 0 JJADRN O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001454766344 1066332027 /nfs/dbraw/zinc/33/20/27/1066332027.db2.gz IERDWXFHLCMTQV-MSOLQXFVSA-N 0 0 457.290 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC001454769647 1066332516 /nfs/dbraw/zinc/33/25/16/1066332516.db2.gz FYPLIDLMMOQSFR-UHFFFAOYSA-N 0 0 453.470 4.701 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)Cc1ccccc1 ZINC001454770994 1066332598 /nfs/dbraw/zinc/33/25/98/1066332598.db2.gz OLZWAWDTSVIKLQ-UYAOXDASSA-N 0 0 452.473 4.747 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)C2)n1CCc1ccccn1 ZINC001361088791 1066332821 /nfs/dbraw/zinc/33/28/21/1066332821.db2.gz LPJOWSYANREWFE-UHFFFAOYSA-N 0 0 461.944 4.735 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCC(C)(C)O ZINC001361088861 1066333108 /nfs/dbraw/zinc/33/31/08/1066333108.db2.gz MLWYDOZCZYYMJB-IFMALSPDSA-N 0 0 477.049 4.560 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)c1cc(C)ccc1C ZINC001454776880 1066333036 /nfs/dbraw/zinc/33/30/36/1066333036.db2.gz WUAXVXWOIAHGQS-DEOSSOPVSA-N 0 0 450.604 4.971 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCC(C)(C)O ZINC001361088863 1066333178 /nfs/dbraw/zinc/33/31/78/1066333178.db2.gz MLWYDOZCZYYMJB-IRLDBZIGSA-N 0 0 477.049 4.560 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCc1nccs1)OC ZINC001545960352 1066333592 /nfs/dbraw/zinc/33/35/92/1066333592.db2.gz BJLZIHDKVNBMKJ-CQSZACIVSA-N 0 0 484.851 4.921 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 ZINC001443587961 1066333725 /nfs/dbraw/zinc/33/37/25/1066333725.db2.gz RMCKAVNYSNTESR-LLBVYWAGSA-N 0 0 454.542 4.812 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@]1(C)COCCO1 ZINC001361088972 1066333737 /nfs/dbraw/zinc/33/37/37/1066333737.db2.gz NYZAPOTVKNEZPW-BSWQBHCVSA-N 0 0 477.049 4.682 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001454785155 1066333881 /nfs/dbraw/zinc/33/38/81/1066333881.db2.gz GEKPCKJMNVFWKM-NRFANRHFSA-N 0 0 452.983 4.797 20 0 JJADRN COc1cc(COCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccn1 ZINC001443590872 1066334032 /nfs/dbraw/zinc/33/40/32/1066334032.db2.gz ZIMKHZTUNLHONM-GREBRCKQSA-N 0 0 454.567 4.863 20 0 JJADRN COc1cc(COCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccn1 ZINC001443590873 1066334061 /nfs/dbraw/zinc/33/40/61/1066334061.db2.gz ZIMKHZTUNLHONM-JXHRLWIKSA-N 0 0 454.567 4.863 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443593761 1066334481 /nfs/dbraw/zinc/33/44/81/1066334481.db2.gz WVMDYIDUAIEHEL-DVESRUBUSA-N 0 0 451.405 4.653 20 0 JJADRN CCCc1c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001454813735 1066334523 /nfs/dbraw/zinc/33/45/23/1066334523.db2.gz DUBZUAAVYVIQQQ-NUZGMZIFSA-N 0 0 452.599 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C2 ZINC001454817275 1066334761 /nfs/dbraw/zinc/33/47/61/1066334761.db2.gz NRFLAYPZDGYEBT-QDMKHBRRSA-N 0 0 458.525 4.565 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccc(C)n(C)c1=O ZINC001361089223 1066334912 /nfs/dbraw/zinc/33/49/12/1066334912.db2.gz QVHPATVPDJGALW-WIYYLYMNSA-N 0 0 498.071 4.932 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)C(C)(C)C ZINC001443597540 1066335211 /nfs/dbraw/zinc/33/52/11/1066335211.db2.gz IDZOFGVCWCEIRB-SFHVURJKSA-N 0 0 458.559 4.794 20 0 JJADRN CCN(C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443599661 1066335264 /nfs/dbraw/zinc/33/52/64/1066335264.db2.gz LYVZUOITOXZSIY-WIYYLYMNSA-N 0 0 457.521 4.555 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001443602682 1066335550 /nfs/dbraw/zinc/33/55/50/1066335550.db2.gz QZPPSKXMJCNLSL-DEOSSOPVSA-N 0 0 456.543 4.644 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC001454824098 1066335759 /nfs/dbraw/zinc/33/57/59/1066335759.db2.gz PESZSYTYZUIIKY-INIZCTEOSA-N 0 0 459.468 4.971 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001443602686 1066335886 /nfs/dbraw/zinc/33/58/86/1066335886.db2.gz QZPPSKXMJCNLSL-XMMPIXPASA-N 0 0 456.543 4.644 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CCC(c4ccc(F)cc4)CC3)cn2c1 ZINC001454836211 1066336140 /nfs/dbraw/zinc/33/61/40/1066336140.db2.gz UTUKOCZCSJRUKD-UHFFFAOYSA-N 0 0 452.530 4.518 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC001443604733 1066336188 /nfs/dbraw/zinc/33/61/88/1066336188.db2.gz OIYRIGPFDRBNEH-FDFHNCONSA-N 0 0 450.501 4.566 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001454830139 1066336224 /nfs/dbraw/zinc/33/62/24/1066336224.db2.gz OGHZQDSFVTUIPU-KDURUIRLSA-N 0 0 454.592 4.729 20 0 JJADRN CCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443605388 1066336756 /nfs/dbraw/zinc/33/67/56/1066336756.db2.gz QNBMLYCCISYHPL-QHCPKHFHSA-N 0 0 450.489 4.895 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CC(=O)NC(C)C ZINC001361089598 1066336761 /nfs/dbraw/zinc/33/67/61/1066336761.db2.gz YGAIVGUTAIUBAM-LEWJYISDSA-N 0 0 488.076 4.793 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001361089578 1066336965 /nfs/dbraw/zinc/33/69/65/1066336965.db2.gz XXAPBMMOZHAVOQ-AFMDSPMNSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC(C)(C)C(C)C ZINC001361089655 1066337174 /nfs/dbraw/zinc/33/71/74/1066337174.db2.gz ZBZUUHQKXSVQFT-VWLOTQADSA-N 0 0 476.065 4.635 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CCOC1 ZINC001361089695 1066337190 /nfs/dbraw/zinc/33/71/90/1066337190.db2.gz ZXYFTQWRXOTCLA-ROUUACIJSA-N 0 0 468.976 4.770 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001443614866 1066337829 /nfs/dbraw/zinc/33/78/29/1066337829.db2.gz JDDFXEGZWKBFQE-IEBWSBKVSA-N 0 0 450.457 4.832 20 0 JJADRN COc1ccc(C(=O)CCCCCC(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1 ZINC001443618777 1066338220 /nfs/dbraw/zinc/33/82/20/1066338220.db2.gz KRFDOVPGKFNLQM-RUZDIDTESA-N 0 0 456.627 4.858 20 0 JJADRN CCCn1cc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(C)n1 ZINC001443619799 1066338417 /nfs/dbraw/zinc/33/84/17/1066338417.db2.gz OKULCKBUQIDULI-XMMPIXPASA-N 0 0 451.615 4.930 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546066044 1066338384 /nfs/dbraw/zinc/33/83/84/1066338384.db2.gz FQXDTKMFFUGDLC-WINIVTDRSA-N 0 0 473.506 4.943 20 0 JJADRN CCCOc1ccccc1C(=O)CNC(=O)c1ccsc1NC(=O)c1ccc(CC)cc1 ZINC001454887268 1066338532 /nfs/dbraw/zinc/33/85/32/1066338532.db2.gz DQFNDVDYHRSRMP-UHFFFAOYSA-N 0 0 450.560 4.964 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N3CCC(NC(=O)OCc4ccccc4)CC3)cc2)n1 ZINC001454884298 1066338638 /nfs/dbraw/zinc/33/86/38/1066338638.db2.gz FQPUJMKLTUZKOG-UHFFFAOYSA-N 0 0 450.564 4.726 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C1CC1 ZINC001361090436 1066338823 /nfs/dbraw/zinc/33/88/23/1066338823.db2.gz DLDQRFUYIAOCDM-INIZCTEOSA-N 0 0 471.955 4.659 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 ZINC001361090611 1066338994 /nfs/dbraw/zinc/33/89/94/1066338994.db2.gz IKANXUHNQVJGQE-GFCCVEGCSA-N 0 0 450.511 4.505 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546066099 1066338951 /nfs/dbraw/zinc/33/89/51/1066338951.db2.gz GVFIHSNWGSGXLV-NSYGIPOTSA-N 0 0 473.618 4.502 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)OC ZINC001545960581 1066339087 /nfs/dbraw/zinc/33/90/87/1066339087.db2.gz GOQSJESEIYSGAC-IRXDYDNUSA-N 0 0 495.418 4.911 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1 ZINC001454890666 1066339101 /nfs/dbraw/zinc/33/91/01/1066339101.db2.gz MCDDCXXHCHAMSM-UHFFFAOYSA-N 0 0 453.539 4.565 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001361090745 1066339422 /nfs/dbraw/zinc/33/94/22/1066339422.db2.gz IKYMWNLOVGQZML-IEBWSBKVSA-N 0 0 453.027 4.943 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001546066063 1066339382 /nfs/dbraw/zinc/33/93/82/1066339382.db2.gz GEACLOGGLJJMTG-MHZLTWQESA-N 0 0 499.656 4.988 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001361090747 1066339538 /nfs/dbraw/zinc/33/95/38/1066339538.db2.gz IKYMWNLOVGQZML-PKOBYXMFSA-N 0 0 453.027 4.943 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001546066200 1066339781 /nfs/dbraw/zinc/33/97/81/1066339781.db2.gz IOUNSWXUKSPUHH-LMKMVOKYSA-N 0 0 453.587 4.997 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001546066201 1066339913 /nfs/dbraw/zinc/33/99/13/1066339913.db2.gz IOUNSWXUKSPUHH-PUAOIOHZSA-N 0 0 453.587 4.997 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C ZINC001361091012 1066339905 /nfs/dbraw/zinc/33/99/05/1066339905.db2.gz LNTDGEICTPSMII-SXSPYAJSSA-N 0 0 491.076 4.928 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CC=CCC1 ZINC001361091154 1066340396 /nfs/dbraw/zinc/34/03/96/1066340396.db2.gz NIBIAFHNEJRXTP-HXUWFJFHSA-N 0 0 494.030 4.995 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546066322 1066340547 /nfs/dbraw/zinc/34/05/47/1066340547.db2.gz KXKYXKIFHBXXRW-FNZWTVRRSA-N 0 0 469.630 4.980 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1C[C@@H]1CCSC1 ZINC001361091720 1066341388 /nfs/dbraw/zinc/34/13/88/1066341388.db2.gz STXWPLWJHYSYOV-MSOLQXFVSA-N 0 0 467.104 4.946 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001361091648 1066341569 /nfs/dbraw/zinc/34/15/69/1066341569.db2.gz RVPRQBZGKCIPHI-RTBURBONSA-N 0 0 465.063 4.620 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H]1CCC=CO1 ZINC001361091796 1066341887 /nfs/dbraw/zinc/34/18/87/1066341887.db2.gz UMPSBABUNAPBCJ-PZJWPPBQSA-N 0 0 475.033 4.948 20 0 JJADRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2cc(C)ccc2S(N)(=O)=O)cc1 ZINC001443635724 1066342037 /nfs/dbraw/zinc/34/20/37/1066342037.db2.gz OGVOXADWLUSMHH-UHFFFAOYSA-N 0 0 452.576 4.621 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H]1OCCC1(C)C ZINC001361091854 1066342156 /nfs/dbraw/zinc/34/21/56/1066342156.db2.gz VWZQNQUQWPZYTF-PKTZIBPZSA-N 0 0 491.076 4.928 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H]1CC1(C)C ZINC001361091844 1066342174 /nfs/dbraw/zinc/34/21/74/1066342174.db2.gz VOQOTYZLBUYIEL-HXUWFJFHSA-N 0 0 488.076 4.602 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H]1CCC=CO1 ZINC001361091793 1066342218 /nfs/dbraw/zinc/34/22/18/1066342218.db2.gz UMPSBABUNAPBCJ-FPOVZHCZSA-N 0 0 475.033 4.948 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@@H]2C)n1C[C@@H](C)c1nccs1 ZINC001361092071 1066342568 /nfs/dbraw/zinc/34/25/68/1066342568.db2.gz ZJRWGNAJGYJUHX-MSOLQXFVSA-N 0 0 476.046 4.737 20 0 JJADRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2cc(S(N)(=O)=O)sc2C)cc1 ZINC001443638608 1066342808 /nfs/dbraw/zinc/34/28/08/1066342808.db2.gz XEMKPGWYBPNIQH-UHFFFAOYSA-N 0 0 458.605 4.683 20 0 JJADRN O=C(NCC[C@H]1CN(C(=O)C2(Cc3ccccc3Cl)CC2)c2ccccc21)C(F)(F)F ZINC001454932942 1066343099 /nfs/dbraw/zinc/34/30/99/1066343099.db2.gz RJCSRSBPUROOLP-INIZCTEOSA-N 0 0 450.888 4.862 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454924496 1066343124 /nfs/dbraw/zinc/34/31/24/1066343124.db2.gz RSXADAYATXKRLT-HNNXBMFYSA-N 0 0 459.493 4.931 20 0 JJADRN CC(C)(CNC(=O)CNC(=O)c1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC001443640690 1066343481 /nfs/dbraw/zinc/34/34/81/1066343481.db2.gz IGUPNZNSXBGVEJ-UHFFFAOYSA-N 0 0 458.183 4.580 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C(C)C)n1CCCCn1cc(Br)cn1)CC2 ZINC001361092639 1066343378 /nfs/dbraw/zinc/34/33/78/1066343378.db2.gz QICPBDPQQBOVQJ-UHFFFAOYSA-N 0 0 475.410 4.851 20 0 JJADRN O=C(NC1(CO)CCCCCCC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001454939919 1066343848 /nfs/dbraw/zinc/34/38/48/1066343848.db2.gz HPZSCUQHWBKGQA-UHFFFAOYSA-N 0 0 457.411 4.774 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc([C@H]3CCCCO3)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2 ZINC001361093383 1066344077 /nfs/dbraw/zinc/34/40/77/1066344077.db2.gz YTJZWNTYDWJHOR-PGRDOPGGSA-N 0 0 487.620 4.785 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(CC(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC2 ZINC001361093330 1066344130 /nfs/dbraw/zinc/34/41/30/1066344130.db2.gz YJAAADTYUBMHOQ-GOSISDBHSA-N 0 0 473.637 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(COc4ccccc4F)on3)ccc21 ZINC001361094073 1066344375 /nfs/dbraw/zinc/34/43/75/1066344375.db2.gz RUMUQNBOSFZWPH-UHFFFAOYSA-N 0 0 453.470 4.943 20 0 JJADRN CC1=C(C(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)S(=O)(=O)CCO1 ZINC001443651463 1066345154 /nfs/dbraw/zinc/34/51/54/1066345154.db2.gz KNLJSOFFOSEVAD-HRNNMHKYSA-N 0 0 459.652 4.613 20 0 JJADRN CC1=C(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)S(=O)(=O)CCO1 ZINC001443651478 1066345267 /nfs/dbraw/zinc/34/52/67/1066345267.db2.gz KNLJSOFFOSEVAD-ZSQFBXSQSA-N 0 0 459.652 4.613 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1 ZINC001361094885 1066345452 /nfs/dbraw/zinc/34/54/52/1066345452.db2.gz NULWVCLTWYXHSK-IBGZPJMESA-N 0 0 457.594 4.681 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c4ccccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962959 1066345517 /nfs/dbraw/zinc/34/55/17/1066345517.db2.gz DLKNGLGGDHNLTJ-BJKOFHAPSA-N 0 0 476.573 4.990 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001361094821 1066345636 /nfs/dbraw/zinc/34/56/36/1066345636.db2.gz LUEDSGMTYQHKNV-FQEVSTJZSA-N 0 0 494.615 4.771 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443659074 1066345828 /nfs/dbraw/zinc/34/58/28/1066345828.db2.gz ZLNXEWSHVQNXSE-PYUISTEWSA-N 0 0 454.970 4.657 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001361095418 1066346020 /nfs/dbraw/zinc/34/60/20/1066346020.db2.gz VPDHUCYVYDLZCO-LJQANCHMSA-N 0 0 459.610 4.612 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963770 1066346104 /nfs/dbraw/zinc/34/61/04/1066346104.db2.gz LHKGZPKRIPYZIQ-ZVVDCOBXSA-N 0 0 472.532 4.596 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2cccs2)C1 ZINC001546066936 1066346317 /nfs/dbraw/zinc/34/63/17/1066346317.db2.gz XZFDSCMFLIQNSL-JOCHJYFZSA-N 0 0 461.994 4.856 20 0 JJADRN C[C@H](CNC(=O)CCc1cc(Br)ccc1F)Oc1cccc(Br)c1 ZINC001361095953 1066346307 /nfs/dbraw/zinc/34/63/07/1066346307.db2.gz BJUKAYMUPDEULB-GFCCVEGCSA-N 0 0 459.153 4.867 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001361095798 1066346347 /nfs/dbraw/zinc/34/63/47/1066346347.db2.gz ZUSUICMBXACKNB-NZQKXSOJSA-N 0 0 484.538 4.740 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001361095797 1066346460 /nfs/dbraw/zinc/34/64/60/1066346460.db2.gz ZUSUICMBXACKNB-NFBKMPQASA-N 0 0 484.538 4.740 20 0 JJADRN CCN(C(=O)[C@@H](O)c1cccc(Br)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443669009 1066346564 /nfs/dbraw/zinc/34/65/64/1066346564.db2.gz CAEBCSYQZKDEAA-VXKWHMMOSA-N 0 0 457.343 4.963 20 0 JJADRN Cc1ccc(Oc2cccc(NC(=O)CNS(=O)(=O)c3ccc(Cl)s3)c2)c(C)c1 ZINC001454964628 1066346758 /nfs/dbraw/zinc/34/67/58/1066346758.db2.gz YNGAEPSNQHXBSP-UHFFFAOYSA-N 0 0 450.969 4.728 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCCc3c(F)cccc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965011 1066346815 /nfs/dbraw/zinc/34/68/15/1066346815.db2.gz QDSXSQPQOHCJMC-NZQKXSOJSA-N 0 0 474.548 4.815 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@@H]2CCc3ccccc32)c2cc(F)ccc2F)c1 ZINC001361096787 1066347181 /nfs/dbraw/zinc/34/71/81/1066347181.db2.gz PNJYKFKFZBIFMS-GKVSMKOHSA-N 0 0 455.526 4.694 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001361096792 1066347235 /nfs/dbraw/zinc/34/72/35/1066347235.db2.gz POECFMRQPZPTAZ-RVKKMQEKSA-N 0 0 457.409 4.518 20 0 JJADRN Cc1csc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1Cl ZINC001361097028 1066347599 /nfs/dbraw/zinc/34/75/99/1066347599.db2.gz VBLBWPWHXLGRQJ-SFHVURJKSA-N 0 0 455.935 4.911 20 0 JJADRN CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CCO1 ZINC001454967942 1066347694 /nfs/dbraw/zinc/34/76/94/1066347694.db2.gz CDPQVVWTZREUDQ-NRFANRHFSA-N 0 0 454.375 4.939 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454968753 1066347714 /nfs/dbraw/zinc/34/77/14/1066347714.db2.gz FGQQIZNONZBVLE-BPJRBCGYSA-N 0 0 464.606 4.783 20 0 JJADRN CO[C@]1(C)C[C@@H](NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1(C)C ZINC001361097408 1066347741 /nfs/dbraw/zinc/34/77/41/1066347741.db2.gz CLIMKFZVUSCCGX-AUSIDOKSSA-N 0 0 454.368 4.993 20 0 JJADRN Cc1c(C(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001454969161 1066347855 /nfs/dbraw/zinc/34/78/55/1066347855.db2.gz SVKWNXMRYDHABE-OAQYLSRUSA-N 0 0 451.876 4.576 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@@](C)(CO)Cc3ccc(Cl)cc3)c21 ZINC001454967242 1066347871 /nfs/dbraw/zinc/34/78/71/1066347871.db2.gz QBHKKTQBOGJUOA-XMMPIXPASA-N 0 0 453.926 4.983 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443677351 1066348039 /nfs/dbraw/zinc/34/80/39/1066348039.db2.gz HCCDTIZMANWQNW-UHFFFAOYSA-N 0 0 458.946 4.901 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2)c1 ZINC001443678709 1066348410 /nfs/dbraw/zinc/34/84/10/1066348410.db2.gz KLHNKZGRWBIAJB-UHFFFAOYSA-N 0 0 450.926 4.826 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccco2)c1 ZINC001361099121 1066348673 /nfs/dbraw/zinc/34/86/73/1066348673.db2.gz AHKDYWYIMKFUCS-QFIPXVFZSA-N 0 0 470.371 4.623 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545961053 1066348736 /nfs/dbraw/zinc/34/87/36/1066348736.db2.gz NVCNKYAYCTYSHA-BHIYHBOVSA-N 0 0 489.686 4.660 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545961054 1066348757 /nfs/dbraw/zinc/34/87/57/1066348757.db2.gz NVCNKYAYCTYSHA-QRQLOZEOSA-N 0 0 489.686 4.660 20 0 JJADRN Cn1c(CCNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)nc2cc(F)ccc21 ZINC001443680619 1066348769 /nfs/dbraw/zinc/34/87/69/1066348769.db2.gz KNIQDMZKQPLVEJ-UHFFFAOYSA-N 0 0 451.929 4.846 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C)Oc1ccccc1F ZINC001545961018 1066348853 /nfs/dbraw/zinc/34/88/53/1066348853.db2.gz NFWCHDJUQYLUPB-GJZGRUSLSA-N 0 0 495.418 4.991 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C)Oc1ccccc1F ZINC001545961020 1066348911 /nfs/dbraw/zinc/34/89/11/1066348911.db2.gz NFWCHDJUQYLUPB-LSDHHAIUSA-N 0 0 495.418 4.991 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067074 1066348946 /nfs/dbraw/zinc/34/89/46/1066348946.db2.gz AOEBJQPKJVOFSO-ZWKOTPCHSA-N 0 0 456.411 4.732 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C(=Cc2ccc(OC)cc2)c2cccs2)C1 ZINC001443683739 1066349245 /nfs/dbraw/zinc/34/92/45/1066349245.db2.gz AHGYRTIZLPGESO-GMYFBSLISA-N 0 0 454.621 4.604 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCOCC2)c1 ZINC001361099327 1066349262 /nfs/dbraw/zinc/34/92/62/1066349262.db2.gz DAQYSTPHWBAJRN-UHFFFAOYSA-N 0 0 477.428 4.777 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492598104 1066349719 /nfs/dbraw/zinc/34/97/19/1066349719.db2.gz JJWQZDKGLJNMCM-RTWAWAEBSA-N 0 0 471.646 4.746 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC001454983249 1066349799 /nfs/dbraw/zinc/34/97/99/1066349799.db2.gz YZAMQKCOHZXLMW-UHFFFAOYSA-N 0 0 452.551 4.810 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001443685986 1066349815 /nfs/dbraw/zinc/34/98/15/1066349815.db2.gz HDPOIOPJBXLJGB-DQEYMECFSA-N 0 0 458.558 4.970 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 ZINC001443684744 1066349920 /nfs/dbraw/zinc/34/99/20/1066349920.db2.gz BQDBQPAEOVLEKL-OAQYLSRUSA-N 0 0 450.560 4.742 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccncc2Cl)c1 ZINC001361101247 1066350322 /nfs/dbraw/zinc/35/03/22/1066350322.db2.gz GNQWUZGNIZVLRW-NRFANRHFSA-N 0 0 499.015 4.760 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N[C@H](C)c3ccc(-c4ccccc4OC)cc3)CC2=O)cc1 ZINC001361100297 1066350337 /nfs/dbraw/zinc/35/03/37/1066350337.db2.gz DOKZGKUOGBRINK-XXBNENTESA-N 0 0 458.558 4.597 20 0 JJADRN O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1ccc(Br)c(Br)c1 ZINC001455000197 1066350548 /nfs/dbraw/zinc/35/05/48/1066350548.db2.gz PPBPJOLHSICVOY-UHFFFAOYSA-N 0 0 452.146 4.668 20 0 JJADRN Cc1ccc(NC(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)cc1C(=O)c1ccccc1 ZINC001455001909 1066351140 /nfs/dbraw/zinc/35/11/40/1066351140.db2.gz FLXIZGBHRXXODW-FQRUVTKNSA-N 0 0 452.551 4.627 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)c1cccc(C)c1 ZINC001361102205 1066351525 /nfs/dbraw/zinc/35/15/25/1066351525.db2.gz YIMDSOGHPVPHES-UHFFFAOYSA-N 0 0 493.656 4.868 20 0 JJADRN Cc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001455005984 1066351808 /nfs/dbraw/zinc/35/18/08/1066351808.db2.gz MUTXVCXQOZSUQN-UHFFFAOYSA-N 0 0 458.971 4.698 20 0 JJADRN O=C(Nc1cncc(C(F)F)c1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001455005051 1066351826 /nfs/dbraw/zinc/35/18/26/1066351826.db2.gz DWMTWOWLPDUORT-MRXNPFEDSA-N 0 0 456.262 4.554 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cnn(C)c2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492598115 1066352164 /nfs/dbraw/zinc/35/21/64/1066352164.db2.gz HFMRDCPVXOABFG-UHFFFAOYSA-N 0 0 493.681 4.889 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455007081 1066352422 /nfs/dbraw/zinc/35/24/22/1066352422.db2.gz ORPOLBQDSPDLPL-IRXDYDNUSA-N 0 0 459.587 4.656 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)cn2)cc1 ZINC001443698829 1066352638 /nfs/dbraw/zinc/35/26/38/1066352638.db2.gz HSZQZALCFFPGEJ-QFIPXVFZSA-N 0 0 452.580 4.739 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)CC1 ZINC001443699040 1066352658 /nfs/dbraw/zinc/35/26/58/1066352658.db2.gz KGBSBAXXWVHXJN-FGZHOGPDSA-N 0 0 455.396 4.805 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455008993 1066352973 /nfs/dbraw/zinc/35/29/73/1066352973.db2.gz QDODSNUESULGPN-HXUWFJFHSA-N 0 0 452.559 4.695 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361103203 1066353087 /nfs/dbraw/zinc/35/30/87/1066353087.db2.gz VOKFPTYAFVMQQE-ZVOVDXHFSA-N 0 0 469.630 4.978 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(SC)cc1 ZINC001361104140 1066353594 /nfs/dbraw/zinc/35/35/94/1066353594.db2.gz NIJYSXUNCWNIFF-IBGZPJMESA-N 0 0 450.398 4.833 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ccc3nc(OC)ccc3c2)cc1OCC ZINC001361104006 1066353624 /nfs/dbraw/zinc/35/36/24/1066353624.db2.gz MEJZWYZCFBCCHC-UHFFFAOYSA-N 0 0 459.340 4.985 20 0 JJADRN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443703211 1066353907 /nfs/dbraw/zinc/35/39/07/1066353907.db2.gz GWKVYMVURNVXBN-HXUWFJFHSA-N 0 0 450.579 4.911 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 ZINC001443703334 1066353948 /nfs/dbraw/zinc/35/39/48/1066353948.db2.gz VEAPWEZTOSWCPJ-IBGZPJMESA-N 0 0 453.327 4.645 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)CC2)nc(C(C)C)n1 ZINC001361105462 1066354030 /nfs/dbraw/zinc/35/40/30/1066354030.db2.gz KZCYYNPCMNTDNR-UHFFFAOYSA-N 0 0 490.700 4.529 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccnc3)C(C)C)CC2)nc(C(C)C)n1 ZINC001361105452 1066354133 /nfs/dbraw/zinc/35/41/33/1066354133.db2.gz KOZGHKYXWMXBQM-DEOSSOPVSA-N 0 0 490.700 4.860 20 0 JJADRN COC(CNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)(OC)c1ccccn1 ZINC001455016275 1066354172 /nfs/dbraw/zinc/35/41/72/1066354172.db2.gz CZNZMHNILKPDCQ-UHFFFAOYSA-N 0 0 452.454 4.584 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc2cc(Cl)cnc2n1 ZINC001455023377 1066354278 /nfs/dbraw/zinc/35/42/78/1066354278.db2.gz BNSLOJZAYWUQDJ-AREMUKBSSA-N 0 0 452.761 4.572 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001443704958 1066354207 /nfs/dbraw/zinc/35/42/07/1066354207.db2.gz RQUSQXPNCQOWRF-IEBWSBKVSA-N 0 0 450.601 4.505 20 0 JJADRN CN(CCOc1cccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)c1)C(=O)OC(C)(C)C ZINC001455017977 1066354385 /nfs/dbraw/zinc/35/43/85/1066354385.db2.gz IURXGHGLVAQMPW-UHFFFAOYSA-N 0 0 456.930 4.781 20 0 JJADRN Cc1cc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)nc(C(C)C)n1 ZINC001361105411 1066354541 /nfs/dbraw/zinc/35/45/41/1066354541.db2.gz JGOATLKAKICUET-HXUWFJFHSA-N 0 0 455.651 4.504 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443705529 1066354698 /nfs/dbraw/zinc/35/46/98/1066354698.db2.gz PRTUPVHGVCWADW-GJZGRUSLSA-N 0 0 457.434 4.693 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(OC)C1)OC ZINC001545961269 1066354847 /nfs/dbraw/zinc/35/48/47/1066354847.db2.gz RPJHPTTTXIDGFH-QRWLVFNGSA-N 0 0 471.827 4.791 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(OC)C1)OC ZINC001545961270 1066355013 /nfs/dbraw/zinc/35/50/13/1066355013.db2.gz RPJHPTTTXIDGFH-YWZLYKJASA-N 0 0 471.827 4.791 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001455039020 1066354827 /nfs/dbraw/zinc/35/48/27/1066354827.db2.gz OJKBJCHGSIYBLG-JQHSSLGASA-N 0 0 450.963 4.867 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)NCC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001443706976 1066355332 /nfs/dbraw/zinc/35/53/32/1066355332.db2.gz WVKLHOTVESWULG-HXUWFJFHSA-N 0 0 454.567 4.929 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC2(CCC2)C1)OC ZINC001545961309 1066355448 /nfs/dbraw/zinc/35/54/48/1066355448.db2.gz SLPLJBCDFIUQMO-HNNXBMFYSA-N 0 0 469.811 4.545 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC2(CCC2)C1)OC ZINC001545961310 1066355496 /nfs/dbraw/zinc/35/54/96/1066355496.db2.gz SLPLJBCDFIUQMO-OAHLLOKOSA-N 0 0 469.811 4.545 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361106831 1066355848 /nfs/dbraw/zinc/35/58/48/1066355848.db2.gz IFUHUNZKLZCACQ-TZIWHRDSSA-N 0 0 469.630 4.815 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)C1 ZINC001443715028 1066355967 /nfs/dbraw/zinc/35/59/67/1066355967.db2.gz FXCURZPRZISUFO-DLBZAZTESA-N 0 0 464.006 4.988 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361106743 1066356010 /nfs/dbraw/zinc/35/60/10/1066356010.db2.gz HKYNDEZTWVMGAR-NHCUHLMSSA-N 0 0 494.640 4.505 20 0 JJADRN CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1(C)C ZINC001361106964 1066356035 /nfs/dbraw/zinc/35/60/35/1066356035.db2.gz MYMQOKJWRBYBKB-QFQXNSOFSA-N 0 0 457.615 4.832 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361106961 1066356108 /nfs/dbraw/zinc/35/61/08/1066356108.db2.gz JKTZOPJORBBWQB-HLAWJBBLSA-N 0 0 482.547 4.843 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)[C@H](C)Cc3cncc4ccccc43)CC2)nc1C ZINC001455057498 1066356220 /nfs/dbraw/zinc/35/62/20/1066356220.db2.gz VPWKVTRPJMEPKR-MRXNPFEDSA-N 0 0 451.592 4.761 20 0 JJADRN O=C(CCCC(=O)N1CC(c2ncc(Br)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC001455060015 1066356929 /nfs/dbraw/zinc/35/69/29/1066356929.db2.gz RZXMYEBNEINVEM-UHFFFAOYSA-N 0 0 457.155 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N2CCC(c3ccc(Cl)cn3)CC2)C1 ZINC001455069456 1066357136 /nfs/dbraw/zinc/35/71/36/1066357136.db2.gz QORQTDKSCKIZTR-NRFANRHFSA-N 0 0 455.986 4.976 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)c2)c(C)c1 ZINC001443724994 1066357640 /nfs/dbraw/zinc/35/76/40/1066357640.db2.gz ABEANQQSFLSESC-SFHVURJKSA-N 0 0 453.583 4.831 20 0 JJADRN CCOC(=O)CS[C@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(F)(F)F ZINC001455080224 1066357988 /nfs/dbraw/zinc/35/79/88/1066357988.db2.gz OQQYFSDWMJWQMG-MJGOQNOKSA-N 0 0 457.539 4.863 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361109585 1066358096 /nfs/dbraw/zinc/35/80/96/1066358096.db2.gz BROTZERDEJOHFW-UXHICEINSA-N 0 0 471.646 4.797 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCSC[C@H]2C)c1 ZINC001361109822 1066358519 /nfs/dbraw/zinc/35/85/19/1066358519.db2.gz GTDZWKMOQDJMKI-NPDDRXJXSA-N 0 0 458.672 4.914 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC001443727256 1066358412 /nfs/dbraw/zinc/35/84/12/1066358412.db2.gz HGKIPQOODCMDAH-ZDUSSCGKSA-N 0 0 450.377 4.696 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)nc21 ZINC001455080572 1066358545 /nfs/dbraw/zinc/35/85/45/1066358545.db2.gz GQIXUWLGWHEWNN-OAHLLOKOSA-N 0 0 454.552 4.505 20 0 JJADRN CCOC(=O)CS[C@@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(F)(F)F ZINC001455080232 1066358571 /nfs/dbraw/zinc/35/85/71/1066358571.db2.gz OQQYFSDWMJWQMG-PKOBYXMFSA-N 0 0 457.539 4.863 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)[C@H](c2ccccc2)C1 ZINC001455083735 1066358682 /nfs/dbraw/zinc/35/86/82/1066358682.db2.gz JEIKPAXZAYNQAZ-LADGPHEKSA-N 0 0 453.602 4.662 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](C)Nc2ccnn21 ZINC001443729514 1066358762 /nfs/dbraw/zinc/35/87/62/1066358762.db2.gz PKUSMACDIXDOHQ-LJPSSGMGSA-N 0 0 455.361 4.701 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001443728404 1066358814 /nfs/dbraw/zinc/35/88/14/1066358814.db2.gz JCQDETZWKOOJKG-KRWDZBQOSA-N 0 0 453.421 4.632 20 0 JJADRN O=C(c1nc(Br)ccc1F)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443729292 1066358980 /nfs/dbraw/zinc/35/89/80/1066358980.db2.gz OOJWDCSYKORAEA-ZDUSSCGKSA-N 0 0 452.082 4.643 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109854 1066359048 /nfs/dbraw/zinc/35/90/48/1066359048.db2.gz HPZXJXOHWXKAHS-OFNKIYASSA-N 0 0 479.673 4.768 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001455085096 1066359149 /nfs/dbraw/zinc/35/91/49/1066359149.db2.gz OTFDJJDPGOUFQC-DNQXCXABSA-N 0 0 454.636 4.539 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)CC2)c1 ZINC001361110378 1066359262 /nfs/dbraw/zinc/35/92/62/1066359262.db2.gz NPTDDUZTOAJDJD-NRFANRHFSA-N 0 0 450.631 4.773 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)n1 ZINC001361110369 1066359294 /nfs/dbraw/zinc/35/92/94/1066359294.db2.gz NISWBTKYCRJXRZ-UPVQGACJSA-N 0 0 480.657 4.700 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N(C)Cc3ccsc3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110351 1066359337 /nfs/dbraw/zinc/35/93/37/1066359337.db2.gz NAMOZBMXOQAMGX-NLFFAJNJSA-N 0 0 470.639 4.793 20 0 JJADRN CN(C(=O)C(F)(F)Oc1ccc(C=O)cc1)[C@H]1CCSc2ccc(Br)cc21 ZINC001443730622 1066359409 /nfs/dbraw/zinc/35/94/09/1066359409.db2.gz XGTJRMGDOWAGLT-INIZCTEOSA-N 0 0 456.308 4.929 20 0 JJADRN CN(Cc1ccc2cc[nH]c2c1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001455095527 1066359370 /nfs/dbraw/zinc/35/93/70/1066359370.db2.gz UTTOODKODXBTSS-UHFFFAOYSA-N 0 0 453.951 4.894 20 0 JJADRN Cc1csc(C(=O)Nc2ccc(C)c(OCCCCCO)c2)c1I ZINC001455093524 1066359502 /nfs/dbraw/zinc/35/95/02/1066359502.db2.gz NTNJRSRMBYIVBW-UHFFFAOYSA-N 0 0 459.349 4.763 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2C(C)C)c1 ZINC001361110377 1066359545 /nfs/dbraw/zinc/35/95/45/1066359545.db2.gz NMQRZRILSSMSBC-TZIWHRDSSA-N 0 0 467.639 4.670 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001443730898 1066359655 /nfs/dbraw/zinc/35/96/55/1066359655.db2.gz KLAXGMIBZULRBV-RBDMOPTHSA-N 0 0 465.585 4.644 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110587 1066359729 /nfs/dbraw/zinc/35/97/29/1066359729.db2.gz QITBLQIBVCTTBW-VHFRWLAGSA-N 0 0 470.658 4.967 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001443732104 1066359761 /nfs/dbraw/zinc/35/97/61/1066359761.db2.gz LMBDQZTWAGHOMT-FQEVSTJZSA-N 0 0 458.558 4.668 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)CC2)c1 ZINC001361110379 1066359964 /nfs/dbraw/zinc/35/99/64/1066359964.db2.gz NPTDDUZTOAJDJD-OAQYLSRUSA-N 0 0 450.631 4.773 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)c(C)nc2c1 ZINC001455097095 1066359912 /nfs/dbraw/zinc/35/99/12/1066359912.db2.gz JKLCFLZZWABGCD-AREMUKBSSA-N 0 0 455.599 4.955 20 0 JJADRN CN(C)c1cc(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c2ccccc2n1 ZINC001455096464 1066360057 /nfs/dbraw/zinc/36/00/57/1066360057.db2.gz BEDAJCBFDXGALX-AREMUKBSSA-N 0 0 454.615 4.704 20 0 JJADRN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443732070 1066360450 /nfs/dbraw/zinc/36/04/50/1066360450.db2.gz UEBIPZQWWBZBTP-GOSISDBHSA-N 0 0 455.704 4.580 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110732 1066360492 /nfs/dbraw/zinc/36/04/92/1066360492.db2.gz RHNXEBWWLUFXRZ-JPYJTQIMSA-N 0 0 468.564 4.782 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3ccsc3)CC2)c1 ZINC001361111008 1066360690 /nfs/dbraw/zinc/36/06/90/1066360690.db2.gz VLQUQPNGXYATCO-NRFANRHFSA-N 0 0 453.656 4.636 20 0 JJADRN O=C(COCc1nc2ccccc2s1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443733540 1066360722 /nfs/dbraw/zinc/36/07/22/1066360722.db2.gz XEQSVVKSMFMASJ-KRWDZBQOSA-N 0 0 455.338 4.859 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1 ZINC001455101853 1066360970 /nfs/dbraw/zinc/36/09/70/1066360970.db2.gz YPSPGZVLQSHBET-AGTLBBOYSA-N 0 0 457.615 4.684 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)CC1 ZINC001455102608 1066361031 /nfs/dbraw/zinc/36/10/31/1066361031.db2.gz QMFZUVSSHCZKBS-ZPHNUYGRSA-N 0 0 452.636 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001361111127 1066361049 /nfs/dbraw/zinc/36/10/49/1066361049.db2.gz VTIDIELACMZXST-VSKRKVRLSA-N 0 0 497.684 4.946 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361111194 1066361274 /nfs/dbraw/zinc/36/12/74/1066361274.db2.gz XIHUFHIXSVLTTP-IRLDBZIGSA-N 0 0 483.657 4.748 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)c1 ZINC001443738387 1066361228 /nfs/dbraw/zinc/36/12/28/1066361228.db2.gz XEKURNWTMRLSMI-OAHLLOKOSA-N 0 0 451.792 4.559 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC001361111570 1066361839 /nfs/dbraw/zinc/36/18/39/1066361839.db2.gz WJYLFSAJBIKIQP-OUPRXKBMSA-N 0 0 458.986 4.622 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CCCO)CC1)OC ZINC001545961634 1066362044 /nfs/dbraw/zinc/36/20/44/1066362044.db2.gz ZKEOKGBDWPMEFQ-QGZVFWFLSA-N 0 0 485.854 4.775 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCCCO2)c1 ZINC001361112264 1066362823 /nfs/dbraw/zinc/36/28/23/1066362823.db2.gz QQLGCUCRRNIFFO-IBGZPJMESA-N 0 0 488.430 4.819 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361112031 1066362860 /nfs/dbraw/zinc/36/28/60/1066362860.db2.gz JSVZAXKIDHJNQH-UHFFFAOYSA-N 0 0 456.472 4.559 20 0 JJADRN CCCCn1ncc(C(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)c1C ZINC001443756561 1066362752 /nfs/dbraw/zinc/36/27/52/1066362752.db2.gz LZMMTHOAQWHQDC-NLFFAJNJSA-N 0 0 452.643 4.617 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCCc1nc(C)cs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760141 1066363202 /nfs/dbraw/zinc/36/32/02/1066363202.db2.gz SPROJVHIMFATQQ-CLOONOSVSA-N 0 0 455.668 4.786 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(Cl)cn2)c1 ZINC001361112480 1066363569 /nfs/dbraw/zinc/36/35/69/1066363569.db2.gz XZKKWGXBIBXZBC-UHFFFAOYSA-N 0 0 499.402 4.945 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361112385 1066363585 /nfs/dbraw/zinc/36/35/85/1066363585.db2.gz VIMZNBLKNPARRN-NRFANRHFSA-N 0 0 496.656 4.610 20 0 JJADRN C[C@@H](CCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)N(C)C(=O)OC(C)(C)C ZINC001443765373 1066364424 /nfs/dbraw/zinc/36/44/24/1066364424.db2.gz HDVCPEDGJUOABQ-ZDUSSCGKSA-N 0 0 459.812 4.896 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC001443768617 1066364821 /nfs/dbraw/zinc/36/48/21/1066364821.db2.gz NTIHMJBJFHAFOX-IBGZPJMESA-N 0 0 453.539 4.686 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC001443768318 1066364846 /nfs/dbraw/zinc/36/48/46/1066364846.db2.gz KMTRLGAPVWILLV-HXUWFJFHSA-N 0 0 455.436 4.706 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CCOCC2)c1 ZINC001361113835 1066364863 /nfs/dbraw/zinc/36/48/63/1066364863.db2.gz UGQMADMHYXOWEA-DNQXCXABSA-N 0 0 470.658 4.837 20 0 JJADRN Cc1cc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)ccc1C(=O)NC(C)C ZINC001443767192 1066365037 /nfs/dbraw/zinc/36/50/37/1066365037.db2.gz KHALOUONBDALCN-UHFFFAOYSA-N 0 0 451.548 4.781 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccccn3)n2Cc2sccc2Br)c1 ZINC001361113760 1066365110 /nfs/dbraw/zinc/36/51/10/1066365110.db2.gz RBTLPGZOVPJOAM-UHFFFAOYSA-N 0 0 498.450 4.960 20 0 JJADRN O=C(NCCN=[S@](=O)(c1ccccc1)C(F)(F)F)c1cccc(Oc2nccs2)c1 ZINC001455143484 1066365213 /nfs/dbraw/zinc/36/52/13/1066365213.db2.gz GASCRLVAYDCNAV-PMERELPUSA-N 0 0 455.483 4.712 20 0 JJADRN Cc1nc2c(s1)[C@H](NC(=O)c1cc(S(=O)(=O)Nc3ccc(F)cc3)ccc1C)CCC2 ZINC001546069284 1066365299 /nfs/dbraw/zinc/36/52/99/1066365299.db2.gz JBQQBMBKJUGXSM-HXUWFJFHSA-N 0 0 459.568 4.507 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361113967 1066365354 /nfs/dbraw/zinc/36/53/54/1066365354.db2.gz YDXRJPNFPLAYGZ-FUPPJEDESA-N 0 0 497.640 4.565 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC001361114010 1066365513 /nfs/dbraw/zinc/36/55/13/1066365513.db2.gz YWRDGFAOGFJRCP-NVQXNPDNSA-N 0 0 463.626 4.539 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)NC[C@H]1CCN(CC(F)F)C1 ZINC001455150628 1066365780 /nfs/dbraw/zinc/36/57/80/1066365780.db2.gz JECAQTQNSUWQDN-CYBMUJFWSA-N 0 0 458.372 4.506 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)cs1 ZINC001455149425 1066365893 /nfs/dbraw/zinc/36/58/93/1066365893.db2.gz FQWIPXOAIDUUQG-PMERELPUSA-N 0 0 453.511 4.895 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)s2)c(F)c1 ZINC001443771552 1066366131 /nfs/dbraw/zinc/36/61/31/1066366131.db2.gz PSTNXZZGPYMJTN-ZDUSSCGKSA-N 0 0 451.564 4.642 20 0 JJADRN C[C@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)Oc1ccc(Br)cc1 ZINC001361114506 1066366089 /nfs/dbraw/zinc/36/60/89/1066366089.db2.gz LOHIAYHRPIQIML-OLZOCXBDSA-N 0 0 457.162 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001455157055 1066366365 /nfs/dbraw/zinc/36/63/65/1066366365.db2.gz CSQDDUBLGPUJOK-GOSISDBHSA-N 0 0 450.988 4.889 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC001361114507 1066366166 /nfs/dbraw/zinc/36/61/66/1066366166.db2.gz LOHIAYHRPIQIML-QWHCGFSZSA-N 0 0 457.162 4.563 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001443771453 1066366323 /nfs/dbraw/zinc/36/63/23/1066366323.db2.gz CMVFOCIAMDPUIX-XMMPIXPASA-N 0 0 455.480 4.754 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC ZINC001443775348 1066366627 /nfs/dbraw/zinc/36/66/27/1066366627.db2.gz QZMXQPPFBHTOBE-NRFANRHFSA-N 0 0 450.535 4.910 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1[C@H](C)C[C@H](c3ccccc3)C1(C)C)CC2 ZINC001455165148 1066366643 /nfs/dbraw/zinc/36/66/43/1066366643.db2.gz FLGQKNGEYQJERX-AUSIDOKSSA-N 0 0 464.606 4.552 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)C(C)C ZINC001443774852 1066366747 /nfs/dbraw/zinc/36/67/47/1066366747.db2.gz YPQUIIJTHAJLIG-VWLOTQADSA-N 0 0 450.604 4.909 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001443774754 1066366783 /nfs/dbraw/zinc/36/67/83/1066366783.db2.gz YJYRGCXZCVWWGO-UHFFFAOYSA-N 0 0 452.617 4.566 20 0 JJADRN CC(C)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)ccc1O ZINC001455164427 1066366911 /nfs/dbraw/zinc/36/69/11/1066366911.db2.gz FFWRZRNBKSSJBL-OAHLLOKOSA-N 0 0 450.988 4.842 20 0 JJADRN O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Cl)c1I ZINC001455160882 1066366998 /nfs/dbraw/zinc/36/69/98/1066366998.db2.gz DJYGQNUQYIYPNZ-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001443785085 1066367805 /nfs/dbraw/zinc/36/78/05/1066367805.db2.gz BHYUSOOILCOKGU-UHFFFAOYSA-N 0 0 459.344 4.932 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)s1 ZINC001361116591 1066367921 /nfs/dbraw/zinc/36/79/21/1066367921.db2.gz HHQHQAGABZAJFU-GOSISDBHSA-N 0 0 475.728 4.731 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3Cc3nc(C(C)(C)C)cs3)CC2)s1 ZINC001361116832 1066367993 /nfs/dbraw/zinc/36/79/93/1066367993.db2.gz QYZBYNHGOFGNLX-UHFFFAOYSA-N 0 0 486.711 4.611 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)cc2)nc1 ZINC001443785067 1066368147 /nfs/dbraw/zinc/36/81/47/1066368147.db2.gz BGRXWYFGEAKORK-UHFFFAOYSA-N 0 0 454.552 4.958 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCO[C@H]3CCCC[C@H]3C)CC2)s1 ZINC001361117084 1066368371 /nfs/dbraw/zinc/36/83/71/1066368371.db2.gz ZXLJHTOJZVVLJA-CTNGQTDRSA-N 0 0 487.714 4.794 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001443787646 1066368546 /nfs/dbraw/zinc/36/85/46/1066368546.db2.gz JZUNHCSGGAEQGY-INIZCTEOSA-N 0 0 450.580 4.878 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[C@H]3CCCCO3)cc2)c(C)c1C ZINC001546069804 1066368597 /nfs/dbraw/zinc/36/85/97/1066368597.db2.gz WBGRKEUYAPLTKV-HSZRJFAPSA-N 0 0 458.624 4.719 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC001443791272 1066368954 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TXNXSXUSDKZHDN-UHFFFAOYSA-N 0 0 487.620 4.831 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NCC(=O)OCc3ccccc3Cl)c12 ZINC001443792981 1066369485 /nfs/dbraw/zinc/36/94/85/1066369485.db2.gz LQIGSHPNEFGPNM-UHFFFAOYSA-N 0 0 453.882 4.562 20 0 JJADRN CN(CCCC[NH+]1CCCCC1)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001455198220 1066369862 /nfs/dbraw/zinc/36/98/62/1066369862.db2.gz GZDWNENJBMFPCW-UHFFFAOYSA-N 0 0 450.004 4.698 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1C ZINC001361118413 1066369990 /nfs/dbraw/zinc/36/99/90/1066369990.db2.gz WSOCOAGDEIZQQD-ILBGXUMGSA-N 0 0 454.636 4.599 20 0 JJADRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cn(-c2ccc(Br)cc2)cn1 ZINC001361118763 1066370065 /nfs/dbraw/zinc/37/00/65/1066370065.db2.gz FKCOJPADVKRVFC-OAHLLOKOSA-N 0 0 453.123 4.805 20 0 JJADRN CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccccc3CS(=O)(=O)c3ccccc3)cc2C1 ZINC001443808893 1066369910 /nfs/dbraw/zinc/36/99/10/1066369910.db2.gz UJJDTNOVKVUOPF-UHFFFAOYSA-N 0 0 450.560 4.528 20 0 JJADRN 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ZINC001455272094 1066377958 /nfs/dbraw/zinc/37/79/58/1066377958.db2.gz KHLAXOPEANXJSV-UHFFFAOYSA-N 0 0 452.507 4.943 20 0 JJADRN COc1c(C(=O)N(C)Cc2ccc(Br)cc2Oc2ccc(C)cc2)c(C)nn1C ZINC001455270724 1066377987 /nfs/dbraw/zinc/37/79/87/1066377987.db2.gz DTZZKBOUJRMJIE-UHFFFAOYSA-N 0 0 458.356 4.873 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 ZINC001361124419 1066377952 /nfs/dbraw/zinc/37/79/52/1066377952.db2.gz DZNZTWBLOJODPH-GOSISDBHSA-N 0 0 452.542 4.997 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)c1nc(C(F)(F)F)cs1 ZINC001361124820 1066378234 /nfs/dbraw/zinc/37/82/34/1066378234.db2.gz KXFQOHQVWQPJAZ-SNVBAGLBSA-N 0 0 451.264 4.577 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN(C)C(=O)[C@H]2CCCCN(C)C2=O)cc1 ZINC001455273396 1066378340 /nfs/dbraw/zinc/37/83/40/1066378340.db2.gz KHACWTOLPYOIBZ-FQEVSTJZSA-N 0 0 459.384 4.767 20 0 JJADRN Cc1ccc(C(=O)NCC2(CC3CC3)CC2)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001455274648 1066378484 /nfs/dbraw/zinc/37/84/84/1066378484.db2.gz QXXWJAMWFFRXPC-UHFFFAOYSA-N 0 0 450.963 4.898 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccc3c(c1)CCCC3)CCO2 ZINC001455273712 1066378559 /nfs/dbraw/zinc/37/85/59/1066378559.db2.gz LKOWALMXXBQWBF-UHFFFAOYSA-N 0 0 452.551 4.712 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)c1ccc(SC)cc1 ZINC001361125228 1066378587 /nfs/dbraw/zinc/37/85/87/1066378587.db2.gz SIZJVYHJQGLPTN-LJQANCHMSA-N 0 0 450.398 4.914 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1sc(N2CCCC2)nc1Cl ZINC001443874309 1066379091 /nfs/dbraw/zinc/37/90/91/1066379091.db2.gz CJHCEXJXXFZPSM-OAHLLOKOSA-N 0 0 457.402 4.584 20 0 JJADRN CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)[C@H]1COCCN1CC(F)F ZINC001455279226 1066379470 /nfs/dbraw/zinc/37/94/70/1066379470.db2.gz CNKGACLFVFKAHN-LJQANCHMSA-N 0 0 456.892 4.586 20 0 JJADRN Cc1ccnc(-c2noc(CC3CCN(C(=O)[C@H](C)CSc4ccc(F)cc4)CC3)n2)c1 ZINC001455278087 1066379573 /nfs/dbraw/zinc/37/95/73/1066379573.db2.gz YJPUUVCJGSZHPZ-QGZVFWFLSA-N 0 0 454.571 4.789 20 0 JJADRN Cc1ccc2nc(CSCC(=O)NCCCc3ccc(Br)cc3F)cn2c1 ZINC001443875833 1066379654 /nfs/dbraw/zinc/37/96/54/1066379654.db2.gz JNNIZXZQEZMBSZ-UHFFFAOYSA-N 0 0 450.377 4.527 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@]2(C)COCCO2)c1 ZINC001361125826 1066380106 /nfs/dbraw/zinc/38/01/06/1066380106.db2.gz FFRJTLUZZGFQGF-KDYSTLNUSA-N 0 0 470.658 4.967 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)OC ZINC001545963000 1066380336 /nfs/dbraw/zinc/38/03/36/1066380336.db2.gz OAAYKEVNFQWDOS-FUHWJXTLSA-N 0 0 459.616 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCC(F)(F)c2cc(F)cc(F)c2)C1 ZINC001455290199 1066380827 /nfs/dbraw/zinc/38/08/27/1066380827.db2.gz VLYGQRSZFPGMNC-IBGZPJMESA-N 0 0 452.448 4.707 20 0 JJADRN COc1cccc(N(CC(=O)NCC(F)(F)c2cc(F)cc(F)c2)C(=O)OC(C)(C)C)c1 ZINC001455288761 1066380946 /nfs/dbraw/zinc/38/09/46/1066380946.db2.gz KLIKXNUBIBREBW-UHFFFAOYSA-N 0 0 456.436 4.623 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN2CCOCC2)c1 ZINC001361125952 1066380950 /nfs/dbraw/zinc/38/09/50/1066380950.db2.gz HYVNAJJTGWAQCS-QHCPKHFHSA-N 0 0 483.701 4.884 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888327 1066381129 /nfs/dbraw/zinc/38/11/29/1066381129.db2.gz NBMFFMFICIASEH-OAQYLSRUSA-N 0 0 453.945 4.848 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001455287766 1066381195 /nfs/dbraw/zinc/38/11/95/1066381195.db2.gz SRGFPOOWMSTXEA-UHFFFAOYSA-N 0 0 458.967 4.501 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3cc4ccc(OCC)cc4[nH]3)CC2)nc1C ZINC001455294407 1066381568 /nfs/dbraw/zinc/38/15/68/1066381568.db2.gz XGYJRCISVYXJJQ-UHFFFAOYSA-N 0 0 455.580 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001455295640 1066381688 /nfs/dbraw/zinc/38/16/88/1066381688.db2.gz AGCXLLBOAIBOIM-SFHVURJKSA-N 0 0 456.505 4.521 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccsc4[C@@H]3C)ccc2C)cc1 ZINC001455293092 1066381767 /nfs/dbraw/zinc/38/17/67/1066381767.db2.gz LRSGWFURRKBLHZ-INIZCTEOSA-N 0 0 456.589 4.625 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001361126028 1066382042 /nfs/dbraw/zinc/38/20/42/1066382042.db2.gz JKHOGEFTXDIVLM-QZTJIDSGSA-N 0 0 454.644 4.979 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCN2CCOC[C@H]2C)c1 ZINC001361126048 1066382309 /nfs/dbraw/zinc/38/23/09/1066382309.db2.gz JPRWYCLEGYNHGG-RPWUZVMVSA-N 0 0 483.701 4.882 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCN2CCOC[C@@H]2C)c1 ZINC001361126049 1066382422 /nfs/dbraw/zinc/38/24/22/1066382422.db2.gz JPRWYCLEGYNHGG-ZEQRLZLVSA-N 0 0 483.701 4.882 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC[C@H]2COCCO2)c1 ZINC001361126084 1066382579 /nfs/dbraw/zinc/38/25/79/1066382579.db2.gz KOAUGIHVHRWENY-YADHBBJMSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCSCC(C)C)c1 ZINC001361126342 1066383672 /nfs/dbraw/zinc/38/36/72/1066383672.db2.gz QIMJJMGEKFQXAE-GOTSBHOMSA-N 0 0 499.725 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCCn1c2ccccc2c2ccccc21 ZINC001546071576 1066384020 /nfs/dbraw/zinc/38/40/20/1066384020.db2.gz HPJXARSEVOKIBY-SFHVURJKSA-N 0 0 453.608 4.653 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(CC(C)C)C(C)C)n2Cc2nnc3n2CCC3)c1 ZINC001361126388 1066383998 /nfs/dbraw/zinc/38/39/98/1066383998.db2.gz RBMJTNUZYHASPM-UHFFFAOYSA-N 0 0 465.646 4.746 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(Cc3cccs3)C(C)C)n2C[C@]2(O)CCOC2)c1 ZINC001361126442 1066384081 /nfs/dbraw/zinc/38/40/81/1066384081.db2.gz RRJZYCIXBVWJAQ-AREMUKBSSA-N 0 0 484.666 4.917 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1)C1CCCCC1 ZINC001443908087 1066384075 /nfs/dbraw/zinc/38/40/75/1066384075.db2.gz DZBBZYGPHIRVIS-LJQANCHMSA-N 0 0 452.636 4.868 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(/C=C/c2ccccc2)cs1)c1cccnc1 ZINC001443905542 1066384293 /nfs/dbraw/zinc/38/42/93/1066384293.db2.gz AEYCUMJUJQNSCT-ZVQQDINOSA-N 0 0 454.555 4.688 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001361126483 1066384696 /nfs/dbraw/zinc/38/46/96/1066384696.db2.gz SOVDGJHGGVHEAR-MSOLQXFVSA-N 0 0 454.644 4.979 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)C1CCCCC1 ZINC001443909648 1066384746 /nfs/dbraw/zinc/38/47/46/1066384746.db2.gz IEARCAQVCMEPJH-OAHLLOKOSA-N 0 0 453.008 4.995 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)NCCn1c2ccccc2c2ccccc21 ZINC001546071986 1066384811 /nfs/dbraw/zinc/38/48/11/1066384811.db2.gz VQCHDBSCRXVYNJ-UHFFFAOYSA-N 0 0 451.364 4.933 20 0 JJADRN CC(C)n1cc2c(n1)[C@H](NC(=O)CCC(=O)Nc1ccc(N3CCC(C)CC3)cc1)CCC2 ZINC001546071940 1066385022 /nfs/dbraw/zinc/38/50/22/1066385022.db2.gz SVGKTYKAEMHQFC-HSZRJFAPSA-N 0 0 451.615 4.613 20 0 JJADRN O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccnc(OC2CCOCC2)c1 ZINC001443915209 1066385277 /nfs/dbraw/zinc/38/52/77/1066385277.db2.gz KQGDXSFMKRAJRN-UHFFFAOYSA-N 0 0 451.350 4.616 20 0 JJADRN CC1(C)OC[C@@H](NC(=O)c2ccc(Sc3ccccc3Cl)nn2)[C@@H](c2ccccc2)O1 ZINC001455374962 1066385246 /nfs/dbraw/zinc/38/52/46/1066385246.db2.gz GPMBXDFDVZYMEZ-WIYYLYMNSA-N 0 0 455.967 4.904 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC001455394879 1066385682 /nfs/dbraw/zinc/38/56/82/1066385682.db2.gz GIRLCSQBMCLBLM-DBHZWCICSA-N 0 0 477.577 4.848 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC[C@@H]2COCCO2)c1 ZINC001361126667 1066385731 /nfs/dbraw/zinc/38/57/31/1066385731.db2.gz XNRRJVWZCJWCNY-OAQYLSRUSA-N 0 0 456.631 4.721 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545963223 1066385974 /nfs/dbraw/zinc/38/59/74/1066385974.db2.gz SAUBNOPGSRSVKU-GOSISDBHSA-N 0 0 495.487 4.543 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCc2nccs2)c1 ZINC001361126949 1066386390 /nfs/dbraw/zinc/38/63/90/1066386390.db2.gz CQGBICRJYGYKLW-IBGZPJMESA-N 0 0 455.628 4.603 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361126905 1066386428 /nfs/dbraw/zinc/38/64/28/1066386428.db2.gz BNYVOOBRHWOEDJ-YTFSRNRJSA-N 0 0 481.685 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCCc1cccc(Br)c1)C2 ZINC001443928761 1066386345 /nfs/dbraw/zinc/38/63/45/1066386345.db2.gz BLFUWJXENAGPLS-UHFFFAOYSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2(C(C)C)CC2)c1 ZINC001361127086 1066386961 /nfs/dbraw/zinc/38/69/61/1066386961.db2.gz DKENJBDEYFSREG-UHFFFAOYSA-N 0 0 488.698 4.739 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCc1ccc(C(F)(F)F)s1 ZINC001455407092 1066386966 /nfs/dbraw/zinc/38/69/66/1066386966.db2.gz MHRNQTDUZNGEBO-RUZDIDTESA-N 0 0 454.333 4.734 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c(C)c1 ZINC001443947965 1066387506 /nfs/dbraw/zinc/38/75/06/1066387506.db2.gz PAWCGQLFHAGYTA-LJQANCHMSA-N 0 0 454.567 4.913 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@H](OCC(C)C)C2)no1 ZINC001361127284 1066387898 /nfs/dbraw/zinc/38/78/98/1066387898.db2.gz GYELSPLVFNJRPO-QFIPXVFZSA-N 0 0 467.614 4.885 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CSCCS2)C1 ZINC001546072515 1066387863 /nfs/dbraw/zinc/38/78/63/1066387863.db2.gz GHUORJIIIBQSQN-DVECYGJZSA-N 0 0 495.759 4.868 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C1 ZINC001546072466 1066387983 /nfs/dbraw/zinc/38/79/83/1066387983.db2.gz FUCXWJKFVDQWGI-RUZDIDTESA-N 0 0 475.678 4.836 20 0 JJADRN CCc1c(C(=O)N2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cnn1-c1ccc(Cl)cc1 ZINC001455413201 1066387997 /nfs/dbraw/zinc/38/79/97/1066387997.db2.gz BXBLGKRBOXMVKS-UHFFFAOYSA-N 0 0 458.990 4.561 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CSCCS2)C1 ZINC001546072517 1066388337 /nfs/dbraw/zinc/38/83/37/1066388337.db2.gz GHUORJIIIBQSQN-YADARESESA-N 0 0 495.759 4.868 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H](CO)c1ccc(Cl)cc1)C1CCCCCC1 ZINC001455420113 1066388347 /nfs/dbraw/zinc/38/83/47/1066388347.db2.gz IVJUWQAQIWKWBL-FPOVZHCZSA-N 0 0 453.023 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443967217 1066388820 /nfs/dbraw/zinc/38/88/20/1066388820.db2.gz ANYVFWLKOJEZBX-MJGOQNOKSA-N 0 0 455.521 4.580 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1)OC ZINC001545963414 1066388833 /nfs/dbraw/zinc/38/88/33/1066388833.db2.gz VZVJDHZQDFBODQ-WOJBJXKFSA-N 0 0 455.628 4.702 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CCCS(C)(=O)=O)c1 ZINC001361127562 1066388977 /nfs/dbraw/zinc/38/89/77/1066388977.db2.gz LSLXAAFZZWEPDH-YADHBBJMSA-N 0 0 488.698 4.740 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001361127608 1066389126 /nfs/dbraw/zinc/38/91/26/1066389126.db2.gz LUHQVYKFVLXCIU-UHFFFAOYSA-N 0 0 481.641 4.831 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443973088 1066389227 /nfs/dbraw/zinc/38/92/27/1066389227.db2.gz JBNRGLJNRWEOTB-IEZWGBDMSA-N 0 0 457.537 4.730 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001443967323 1066389338 /nfs/dbraw/zinc/38/93/38/1066389338.db2.gz QHVYSXOJOBUXIW-BPCMGAEPSA-N 0 0 451.567 4.701 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@H](C)N2CCOCC2)c1 ZINC001361127738 1066389540 /nfs/dbraw/zinc/38/95/40/1066389540.db2.gz OJOTYWJJDSXZBS-QFIPXVFZSA-N 0 0 469.674 4.636 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545963474 1066389664 /nfs/dbraw/zinc/38/96/64/1066389664.db2.gz WYKCUQXJRUYNIU-SFTDATJTSA-N 0 0 471.646 4.771 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443973093 1066389700 /nfs/dbraw/zinc/38/97/00/1066389700.db2.gz JBNRGLJNRWEOTB-VDZJLULYSA-N 0 0 457.537 4.730 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC001545963481 1066389768 /nfs/dbraw/zinc/38/97/68/1066389768.db2.gz WZSGIYZZYMARAQ-QUCCMNQESA-N 0 0 464.488 4.868 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C1 ZINC001546072589 1066389823 /nfs/dbraw/zinc/38/98/23/1066389823.db2.gz HKOQHGRGSFWPGG-JIPXPUAJSA-N 0 0 453.675 4.762 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC4(C3)CCCCC4)n2CCCS(C)(=O)=O)c1 ZINC001361127920 1066389884 /nfs/dbraw/zinc/38/98/84/1066389884.db2.gz QDMFGUXZUVWVFJ-UHFFFAOYSA-N 0 0 488.698 4.884 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C)n2CCN(C)CC(F)(F)F)c1 ZINC001361127836 1066390080 /nfs/dbraw/zinc/39/00/80/1066390080.db2.gz OYLHVSQNUSFBTH-GOSISDBHSA-N 0 0 453.553 4.772 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001443979077 1066390370 /nfs/dbraw/zinc/39/03/70/1066390370.db2.gz YZFVWEXEYRHGAY-CYBMUJFWSA-N 0 0 458.923 4.737 20 0 JJADRN 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XXPLVJNKIDVKSZ-JOCHJYFZSA-N 0 0 452.954 4.570 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCCOC(F)(F)C(F)(F)F)c(=O)[nH]1 ZINC001455457351 1066392393 /nfs/dbraw/zinc/39/23/93/1066392393.db2.gz ZWCMVAYQFFILQD-UHFFFAOYSA-N 0 0 459.415 4.620 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)c1 ZINC001361128565 1066392850 /nfs/dbraw/zinc/39/28/50/1066392850.db2.gz ZLUKEIOXHHFMNT-JOCHJYFZSA-N 0 0 469.674 4.636 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC001455458970 1066392853 /nfs/dbraw/zinc/39/28/53/1066392853.db2.gz UKCJJFVAXSYPQD-QFIPXVFZSA-N 0 0 452.599 4.928 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)Nc2ccc(Br)c(F)c2)c1)OCC(F)(F)F ZINC001443998015 1066392931 /nfs/dbraw/zinc/39/29/31/1066392931.db2.gz XYUSQYKEBSTOKC-UHFFFAOYSA-N 0 0 451.170 4.657 20 0 JJADRN CCOC(=O)[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1 ZINC001444001972 1066393478 /nfs/dbraw/zinc/39/34/78/1066393478.db2.gz SIVNQOZDWKJKHA-NRFANRHFSA-N 0 0 458.436 4.856 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)cs1 ZINC001444012636 1066393919 /nfs/dbraw/zinc/39/39/19/1066393919.db2.gz AZKPLYKGCHVQHV-UHFFFAOYSA-N 0 0 452.624 4.630 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001455461591 1066394246 /nfs/dbraw/zinc/39/42/46/1066394246.db2.gz MDHOAZVUBKKBKH-IVZQSRNASA-N 0 0 455.020 4.693 20 0 JJADRN CN(CCC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(=O)OC(C)(C)C ZINC001444004128 1066394148 /nfs/dbraw/zinc/39/41/48/1066394148.db2.gz WEVBZJXYPFLACZ-UHFFFAOYSA-N 0 0 453.461 4.766 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1OC ZINC001361129944 1066394575 /nfs/dbraw/zinc/39/45/75/1066394575.db2.gz HJDDPCUAPKAOIC-SFHVURJKSA-N 0 0 454.567 4.666 20 0 JJADRN Cc1nsc(N2CCN(C(=O)CS[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001444017318 1066394544 /nfs/dbraw/zinc/39/45/44/1066394544.db2.gz PSFOYCPWMWQWAG-OAQYLSRUSA-N 0 0 459.040 4.671 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001444018434 1066394626 /nfs/dbraw/zinc/39/46/26/1066394626.db2.gz CSPWFLVLMBKHGH-QGZVFWFLSA-N 0 0 456.539 4.559 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001444022367 1066395134 /nfs/dbraw/zinc/39/51/34/1066395134.db2.gz BKWSTUWNMQNJFZ-FQEVSTJZSA-N 0 0 458.415 4.757 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)NCc2ccccc2COc2ccccc2Cl)cs1 ZINC001444018500 1066395210 /nfs/dbraw/zinc/39/52/10/1066395210.db2.gz DALDBOGGRBZYOW-UHFFFAOYSA-N 0 0 457.983 4.829 20 0 JJADRN CC(C)c1cc([C@@H]2CCCN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)C2)[nH]n1 ZINC001455472219 1066395384 /nfs/dbraw/zinc/39/53/84/1066395384.db2.gz ZVWUMLSCWGGFSJ-HSZRJFAPSA-N 0 0 458.606 4.925 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@](C)(C(F)(F)F)C2)c(OC)c1 ZINC001455471696 1066395405 /nfs/dbraw/zinc/39/54/05/1066395405.db2.gz PKVWRLWZBAJUMJ-QHCPKHFHSA-N 0 0 459.468 4.971 20 0 JJADRN C[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 ZINC001455477978 1066395945 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BKUWVTZYGYJCLU-QGZVFWFLSA-N 0 0 452.427 4.540 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ncc(Br)s2)CC1 ZINC001455495079 1066397462 /nfs/dbraw/zinc/39/74/62/1066397462.db2.gz NWIJJMBRCPCIEY-ZDUSSCGKSA-N 0 0 458.422 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cccc(C(F)(F)F)c2N)CC1 ZINC001455494543 1066397499 /nfs/dbraw/zinc/39/74/99/1066397499.db2.gz LUPAYSQMNUZQKO-KRWDZBQOSA-N 0 0 455.521 4.977 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001455495065 1066397547 /nfs/dbraw/zinc/39/75/47/1066397547.db2.gz NTRJASSPLQWPEI-HSZRJFAPSA-N 0 0 457.659 4.988 20 0 JJADRN NC(=O)N[C@H](CC(=O)NC1(c2nccs2)CCCC1)c1cccc(Oc2ccccc2)c1 ZINC001444057848 1066397827 /nfs/dbraw/zinc/39/78/27/1066397827.db2.gz GRSRGVLWEWUBPW-HXUWFJFHSA-N 0 0 450.564 4.621 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c2ccccn2)cc1 ZINC001444054151 1066397906 /nfs/dbraw/zinc/39/79/06/1066397906.db2.gz GBUBGJHCOXSOFX-HSZRJFAPSA-N 0 0 458.587 4.762 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)c2C(C)C)cc1 ZINC001455499828 1066398210 /nfs/dbraw/zinc/39/82/10/1066398210.db2.gz KRZJNZZZAHYPPI-ZVDOUQERSA-N 0 0 452.599 4.822 20 0 JJADRN C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001444061452 1066398199 /nfs/dbraw/zinc/39/81/99/1066398199.db2.gz HIIHYLBHHYBWGB-JPYJTQIMSA-N 0 0 452.601 4.806 20 0 JJADRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001444067008 1066398915 /nfs/dbraw/zinc/39/89/15/1066398915.db2.gz VNSUVKPALGSJHU-NRFANRHFSA-N 0 0 451.523 4.895 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001444069405 1066399553 /nfs/dbraw/zinc/39/95/53/1066399553.db2.gz OUHFLSXGGFZGRM-HUUCEWRRSA-N 0 0 451.539 4.643 20 0 JJADRN Cc1cc(C=O)c(O)c(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507721 1066399771 /nfs/dbraw/zinc/39/97/71/1066399771.db2.gz AIEFLYROTAFLTE-AVRDEDQJSA-N 0 0 458.599 4.839 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)C[C@](C)(O)c2ccccc2)C1)C1CCCC1 ZINC001455508505 1066400355 /nfs/dbraw/zinc/40/03/55/1066400355.db2.gz FJILQXXUGQFDTH-OSADXMDESA-N 0 0 458.643 4.996 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 ZINC001455509933 1066400860 /nfs/dbraw/zinc/40/08/60/1066400860.db2.gz BLQLRUPMTSMEGN-WDYCEAGBSA-N 0 0 458.521 4.739 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc3ccc(O)cc3c2O)c2ccc(OC)cc2OC)cc1 ZINC001444081228 1066400809 /nfs/dbraw/zinc/40/08/09/1066400809.db2.gz KVKALJBDLWJYFZ-RUZDIDTESA-N 0 0 459.498 4.796 20 0 JJADRN Cc1noc(Cl)c1CCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444077685 1066400833 /nfs/dbraw/zinc/40/08/33/1066400833.db2.gz GLJYZGZCASBYSO-UHFFFAOYSA-N 0 0 456.905 4.937 20 0 JJADRN Cc1cscc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001361132010 1066401558 /nfs/dbraw/zinc/40/15/58/1066401558.db2.gz SSHVCRXFPZMUDM-GCJKJVERSA-N 0 0 454.640 4.914 20 0 JJADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cccc(Sc3cccc(Br)c3)n1)CC2 ZINC001455511821 1066401709 /nfs/dbraw/zinc/40/17/09/1066401709.db2.gz CYRAGEIINBYNGO-UTKZUKDTSA-N 0 0 461.381 4.553 20 0 JJADRN Cn1c(CCNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 ZINC001444083217 1066401799 /nfs/dbraw/zinc/40/17/99/1066401799.db2.gz TZFNDTMNJQTXKV-SANMLTNESA-N 0 0 457.574 4.571 20 0 JJADRN COCc1nc(C)c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)s1 ZINC001444083042 1066401838 /nfs/dbraw/zinc/40/18/38/1066401838.db2.gz RNSDSUFADCMTPQ-UHFFFAOYSA-N 0 0 454.527 4.580 20 0 JJADRN CCc1ccc(N2CCN(C(=O)Cc3cccc(OCCCOc4ccccc4)c3)CC2)cc1 ZINC001361132346 1066402155 /nfs/dbraw/zinc/40/21/55/1066402155.db2.gz MORQZMJCOBORHS-UHFFFAOYSA-N 0 0 458.602 4.988 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[C@@H]2COCCO2)c1 ZINC001361132417 1066402327 /nfs/dbraw/zinc/40/23/27/1066402327.db2.gz XXTRCYMJGYXRBS-SFHLNBCPSA-N 0 0 496.574 4.729 20 0 JJADRN COc1ccc(C[C@@](C)(CO)NC(=O)c2ccc(-c3cccc4cccnc43)cc2)cc1OC ZINC001455513931 1066402212 /nfs/dbraw/zinc/40/22/12/1066402212.db2.gz WYSGANKWPZOXRH-NDEPHWFRSA-N 0 0 456.542 4.643 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2N)C1)C1CCCC1 ZINC001455512087 1066402388 /nfs/dbraw/zinc/40/23/88/1066402388.db2.gz UGMYYIIAFRSJJY-QRWLVFNGSA-N 0 0 451.558 4.873 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCOC2CCOCC2)c1 ZINC001361132369 1066402344 /nfs/dbraw/zinc/40/23/44/1066402344.db2.gz XEMDXFCVFXALBM-NRFANRHFSA-N 0 0 488.698 4.816 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC001361132491 1066403148 /nfs/dbraw/zinc/40/31/48/1066403148.db2.gz ZJTXZHHRGBQIPK-IEBWSBKVSA-N 0 0 488.057 4.821 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CCc2cccc3ccccc32)C[C@H]1C(F)(F)F ZINC001455518910 1066403366 /nfs/dbraw/zinc/40/33/66/1066403366.db2.gz SLQBEABTYMZQNT-AZUAARDMSA-N 0 0 450.501 4.934 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001361132473 1066403276 /nfs/dbraw/zinc/40/32/76/1066403276.db2.gz ZCCHMYTVMJTDBO-VQTJNVASSA-N 0 0 452.603 4.971 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCOC2)cc1 ZINC001361134256 1066405558 /nfs/dbraw/zinc/40/55/58/1066405558.db2.gz HXICZSPIAAKOJF-NZQKXSOJSA-N 0 0 483.657 4.730 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001455533184 1066405791 /nfs/dbraw/zinc/40/57/91/1066405791.db2.gz QVHBTGLBHROEOH-YBOAYWMSSA-N 0 0 456.505 4.769 20 0 JJADRN C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1 ZINC001455534232 1066406790 /nfs/dbraw/zinc/40/67/90/1066406790.db2.gz XYHRWXNRIDDGJP-YBOAYWMSSA-N 0 0 451.405 4.849 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC001444103757 1066406548 /nfs/dbraw/zinc/40/65/48/1066406548.db2.gz XGZCHHQWKCYJMH-GAJHUEQPSA-N 0 0 457.412 4.944 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361134655 1066406760 /nfs/dbraw/zinc/40/67/60/1066406760.db2.gz LTODYOPRKSHNPC-PZJWPPBQSA-N 0 0 462.598 4.556 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134596 1066406829 /nfs/dbraw/zinc/40/68/29/1066406829.db2.gz FLOQIVMCOLHMHY-TUNNFDKTSA-N 0 0 469.630 4.593 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1)OC ZINC001545964435 1066406743 /nfs/dbraw/zinc/40/67/43/1066406743.db2.gz DOCZLSAOLCBJSE-NVXWUHKLSA-N 0 0 463.413 4.794 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545964456 1066407708 /nfs/dbraw/zinc/40/77/08/1066407708.db2.gz DZMODZKIBDVKHE-APWZRJJASA-N 0 0 480.371 4.789 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(Cl)cc(Cl)c2F)cc1OCC ZINC001455539799 1066407769 /nfs/dbraw/zinc/40/77/69/1066407769.db2.gz CUELGQQNKPJHQM-GFCCVEGCSA-N 0 0 457.329 4.537 20 0 JJADRN C[C@H](NC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2)c1cc(Cl)cc(Cl)c1F ZINC001455542231 1066407825 /nfs/dbraw/zinc/40/78/25/1066407825.db2.gz AFBQCVVHJJEHJC-JTQLQIEISA-N 0 0 457.333 4.640 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361135070 1066408689 /nfs/dbraw/zinc/40/86/89/1066408689.db2.gz PAWZGVBDZLWBDC-UXHICEINSA-N 0 0 453.631 4.961 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361135071 1066408725 /nfs/dbraw/zinc/40/87/25/1066408725.db2.gz PAWZGVBDZLWBDC-VQTJNVASSA-N 0 0 453.631 4.961 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](O)c1ccccc1 ZINC001455542735 1066408863 /nfs/dbraw/zinc/40/88/63/1066408863.db2.gz MTZWUEIYADPOHD-YLJYHZDGSA-N 0 0 457.324 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001444120166 1066409400 /nfs/dbraw/zinc/40/94/00/1066409400.db2.gz QCAZVXODIHHSHV-UZKOGDIHSA-N 0 0 458.599 4.826 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)ccc2C)c1 ZINC001444126462 1066410206 /nfs/dbraw/zinc/41/02/06/1066410206.db2.gz WRSKCAFHEJUYFW-REWPJTCUSA-N 0 0 458.624 4.675 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001444126530 1066410233 /nfs/dbraw/zinc/41/02/33/1066410233.db2.gz WVDLZVYMCYKXMT-ZDUSSCGKSA-N 0 0 455.433 4.534 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H](C)c2ccc(C)cc2)cs1 ZINC001361135873 1066410391 /nfs/dbraw/zinc/41/03/91/1066410391.db2.gz UFJBQKCERBIWAG-NRFANRHFSA-N 0 0 496.725 4.541 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001455558079 1066410493 /nfs/dbraw/zinc/41/04/93/1066410493.db2.gz ASUYSEGZGFEWGD-LJQANCHMSA-N 0 0 457.357 4.867 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N4CCC[C@@H]4COC(C)(C)C)c(=O)c23)cc1 ZINC001455566440 1066410634 /nfs/dbraw/zinc/41/06/34/1066410634.db2.gz AKRABZNRAJPJDI-LJQANCHMSA-N 0 0 453.608 4.630 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001545964596 1066410745 /nfs/dbraw/zinc/41/07/45/1066410745.db2.gz HFAUIUZMCVNVOT-KRWDZBQOSA-N 0 0 453.974 4.577 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 ZINC001361136407 1066410850 /nfs/dbraw/zinc/41/08/50/1066410850.db2.gz QCWIPCCURLKVGC-UHFFFAOYSA-N 0 0 453.489 4.525 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001361136556 1066410935 /nfs/dbraw/zinc/41/09/35/1066410935.db2.gz RCFQAUBKSWTMMT-LVXARBLLSA-N 0 0 454.542 4.796 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](CC)C1)OC ZINC001545964611 1066411860 /nfs/dbraw/zinc/41/18/60/1066411860.db2.gz HOOJGUXIOWXLQO-LSDHHAIUSA-N 0 0 457.413 4.604 20 0 JJADRN Cc1c(NC(=O)Cc2c[nH]c3ncccc23)cc(I)cc1C(F)(F)F ZINC001455567426 1066411834 /nfs/dbraw/zinc/41/18/34/1066411834.db2.gz ISINFXJPWZDXSJ-UHFFFAOYSA-N 0 0 459.209 4.676 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCCc1ccccc1S(=O)(=O)CC ZINC001455568350 1066411944 /nfs/dbraw/zinc/41/19/44/1066411944.db2.gz HIPGHQFRBOGBAP-UHFFFAOYSA-N 0 0 458.649 4.798 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)o1 ZINC001361137176 1066412202 /nfs/dbraw/zinc/41/22/02/1066412202.db2.gz YGBKAQBOTHSLKW-HXUWFJFHSA-N 0 0 477.531 4.617 20 0 JJADRN COc1ccc(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c(OC)c1OC ZINC001361137279 1066412294 /nfs/dbraw/zinc/41/22/94/1066412294.db2.gz AELRPJHZYGDODF-UHFFFAOYSA-N 0 0 457.958 4.647 20 0 JJADRN O=C(CSCC(=O)N1CCCCC1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001444137165 1066412410 /nfs/dbraw/zinc/41/24/10/1066412410.db2.gz OAYXXQIHZQWGFD-UHFFFAOYSA-N 0 0 453.486 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cc(Br)c2ccccc2c1 ZINC001455583532 1066412590 /nfs/dbraw/zinc/41/25/90/1066412590.db2.gz AWPFZRNFYNZPPY-KRWDZBQOSA-N 0 0 451.386 4.529 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@]2(C)CCOc3ccccc32)cc1 ZINC001361137393 1066412991 /nfs/dbraw/zinc/41/29/91/1066412991.db2.gz ASIWPBBKSRAUOV-RUZDIDTESA-N 0 0 451.544 4.951 20 0 JJADRN O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1ccc(NCCc2ccccn2)cc1 ZINC001455586893 1066413187 /nfs/dbraw/zinc/41/31/87/1066413187.db2.gz WDGSSPCDYAJGPO-OAQYLSRUSA-N 0 0 452.352 4.752 20 0 JJADRN O=C(c1ncc(-c2cc(Cl)cc(Cl)c2)s1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC001444139962 1066413887 /nfs/dbraw/zinc/41/38/87/1066413887.db2.gz SVKJUEVQQUTCCX-UHFFFAOYSA-N 0 0 456.292 4.775 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC[C@H]3COC(C)(C)C)cc2Br)no1 ZINC001455601026 1066413897 /nfs/dbraw/zinc/41/38/97/1066413897.db2.gz MVPNCEFATRODHO-KRWDZBQOSA-N 0 0 451.361 4.744 20 0 JJADRN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(F)cc2F)N2CCOCC2)o1 ZINC001361139191 1066414438 /nfs/dbraw/zinc/41/44/38/1066414438.db2.gz GBQFUIZJZIZDFV-QFIPXVFZSA-N 0 0 487.595 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CC[C@H](c3c(F)cccc3F)C2)(c2ccccc2)C1 ZINC001455606568 1066414912 /nfs/dbraw/zinc/41/49/12/1066414912.db2.gz ONSFEFMTICHKDK-HFJWLAOPSA-N 0 0 456.533 4.860 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)OC ZINC001545964965 1066415614 /nfs/dbraw/zinc/41/56/14/1066415614.db2.gz NGARARJODIBFBC-MRXNPFEDSA-N 0 0 451.905 4.656 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2cccc(Br)c2C1)OC ZINC001545964916 1066415633 /nfs/dbraw/zinc/41/56/33/1066415633.db2.gz MKYDJECGERBYOY-HNNXBMFYSA-N 0 0 462.779 4.701 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]2CC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545964962 1066415688 /nfs/dbraw/zinc/41/56/88/1066415688.db2.gz NFNPQMNDYKLULR-NJAFHUGGSA-N 0 0 461.010 4.676 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1 ZINC001455612094 1066415619 /nfs/dbraw/zinc/41/56/19/1066415619.db2.gz OSHGHYVWEIBAOG-UHFFFAOYSA-N 0 0 454.939 4.635 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](C)C1)Oc1ccccc1F ZINC001545965022 1066416185 /nfs/dbraw/zinc/41/61/85/1066416185.db2.gz OFWCEDHKOCDRKL-SJLPKXTDSA-N 0 0 459.953 4.605 20 0 JJADRN CCCn1cc(C(=O)Nc2ccc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cn1 ZINC001455625168 1066416223 /nfs/dbraw/zinc/41/62/23/1066416223.db2.gz IJHLUVZXIMAKRG-UHFFFAOYSA-N 0 0 452.559 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc3cc(NC(=O)Cc4cccc(F)c4)ccc3[nH]2)CC1 ZINC001455623875 1066416644 /nfs/dbraw/zinc/41/66/44/1066416644.db2.gz FPELTQCLOJBAKH-UHFFFAOYSA-N 0 0 452.530 4.998 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)OC ZINC001545965037 1066417233 /nfs/dbraw/zinc/41/72/33/1066417233.db2.gz OMBWELMFWUAIRM-QFIPXVFZSA-N 0 0 474.049 4.643 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001455633664 1066417338 /nfs/dbraw/zinc/41/73/38/1066417338.db2.gz JDFHFWKJXLWYFV-UHFFFAOYSA-N 0 0 450.413 4.527 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1)OC ZINC001545965050 1066417258 /nfs/dbraw/zinc/41/72/58/1066417258.db2.gz OUWKJMRWWDRMSW-GOSISDBHSA-N 0 0 492.020 4.623 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC001455632230 1066417355 /nfs/dbraw/zinc/41/73/55/1066417355.db2.gz COHPREDQUMBZKW-UHFFFAOYSA-N 0 0 452.482 4.592 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361140584 1066417956 /nfs/dbraw/zinc/41/79/56/1066417956.db2.gz DFCOCNOFRXYZRY-QFIPXVFZSA-N 0 0 484.689 4.894 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N(C)Cc3cc(Cl)ccn3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361140567 1066417971 /nfs/dbraw/zinc/41/79/71/1066417971.db2.gz DAEVHBARIWNLRP-HSZRJFAPSA-N 0 0 483.060 4.642 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1OCC ZINC001455643170 1066418111 /nfs/dbraw/zinc/41/81/11/1066418111.db2.gz CDEMAEGCWVYKTI-UHFFFAOYSA-N 0 0 452.473 4.972 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)c1ccccc1Br ZINC001444151567 1066419297 /nfs/dbraw/zinc/41/92/97/1066419297.db2.gz GFASLMIKVDDKHS-UHFFFAOYSA-N 0 0 459.203 4.754 20 0 JJADRN Cc1c(CNC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)oc2ccc(F)cc12 ZINC001444151881 1066419525 /nfs/dbraw/zinc/41/95/25/1066419525.db2.gz SJQZEKYVRBZIJP-UHFFFAOYSA-N 0 0 457.502 4.913 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455650877 1066419649 /nfs/dbraw/zinc/41/96/49/1066419649.db2.gz VWYFJLCIWSPNQE-UHFFFAOYSA-N 0 0 452.864 4.648 20 0 JJADRN Cc1ccc([C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCC(F)F)N2CCOCC2)o1 ZINC001361141061 1066420063 /nfs/dbraw/zinc/42/00/63/1066420063.db2.gz KFMGBUBGDSWXKJ-FQEVSTJZSA-N 0 0 493.986 4.589 20 0 JJADRN Cc1ccc([C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(C)(C)C)N2CCOCC2)o1 ZINC001361141022 1066420262 /nfs/dbraw/zinc/42/02/62/1066420262.db2.gz JYLPVQSSZDMOKD-JOCHJYFZSA-N 0 0 487.595 4.604 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC001455651648 1066420398 /nfs/dbraw/zinc/42/03/98/1066420398.db2.gz KHXVJAAJCWYYSP-LJQANCHMSA-N 0 0 457.361 4.622 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1C(=O)OC ZINC001361141370 1066420829 /nfs/dbraw/zinc/42/08/29/1066420829.db2.gz NAXOCKOQDNMMRF-UHFFFAOYSA-N 0 0 453.878 4.745 20 0 JJADRN O=C(c1ccc(Oc2ccccc2F)nc1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001455665529 1066421911 /nfs/dbraw/zinc/42/19/11/1066421911.db2.gz MIOGKDJPFYTXHJ-OAHLLOKOSA-N 0 0 457.303 4.585 20 0 JJADRN CCCOc1ccc(C(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)c(OC(C)C)c1 ZINC001455669345 1066421928 /nfs/dbraw/zinc/42/19/28/1066421928.db2.gz BRUXWKUOAISMGS-KRWDZBQOSA-N 0 0 454.493 4.566 20 0 JJADRN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(CSCc2ccccc2)c1 ZINC001444161539 1066421846 /nfs/dbraw/zinc/42/18/46/1066421846.db2.gz WWLPLXJLZAKTRB-UHFFFAOYSA-N 0 0 459.571 4.824 20 0 JJADRN CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)c1occc1CSc1ccccc1 ZINC001455670284 1066421972 /nfs/dbraw/zinc/42/19/72/1066421972.db2.gz AKDUPBWLDRGHIZ-MRXNPFEDSA-N 0 0 450.486 4.875 20 0 JJADRN CNC(=O)N[C@H]1CCCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)C1 ZINC001455672823 1066422447 /nfs/dbraw/zinc/42/24/47/1066422447.db2.gz PAJZGEIAWTXONS-SFHVURJKSA-N 0 0 452.407 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001444164835 1066423448 /nfs/dbraw/zinc/42/34/48/1066423448.db2.gz LXKPRJJWEGBWFB-VWLOTQADSA-N 0 0 459.587 4.708 20 0 JJADRN Cc1ccc([C@H](Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142357 1066423517 /nfs/dbraw/zinc/42/35/17/1066423517.db2.gz YEITVNFJIJXDQS-NRFANRHFSA-N 0 0 455.647 4.733 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001361142127 1066423674 /nfs/dbraw/zinc/42/36/74/1066423674.db2.gz XUCFABPIQQWPDH-UHFFFAOYSA-N 0 0 458.312 4.983 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001361142487 1066424131 /nfs/dbraw/zinc/42/41/31/1066424131.db2.gz AGCCLLRFXOWSMC-SFTDATJTSA-N 0 0 458.649 4.574 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361142386 1066424234 /nfs/dbraw/zinc/42/42/34/1066424234.db2.gz YMVWWGDTQZXCMR-XMMPIXPASA-N 0 0 483.701 4.741 20 0 JJADRN Cc1ccc([C@H](Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361142385 1066424240 /nfs/dbraw/zinc/42/42/40/1066424240.db2.gz YMVWWGDTQZXCMR-DEOSSOPVSA-N 0 0 483.701 4.741 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)CC2=O)ccc1Br ZINC001361143306 1066424886 /nfs/dbraw/zinc/42/48/86/1066424886.db2.gz PHTYEZFOICBNTB-DSKINZAPSA-N 0 0 455.396 4.763 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001455702702 1066424913 /nfs/dbraw/zinc/42/49/13/1066424913.db2.gz ZNZIUEJXDGFITD-RTWAWAEBSA-N 0 0 452.352 4.580 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCNC(=O)c2ccco2)c1 ZINC001361143941 1066425619 /nfs/dbraw/zinc/42/56/19/1066425619.db2.gz AUYVDXXDXJMKGM-GHTZIAJQSA-N 0 0 465.598 4.512 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)NCc3cccc4nsnc43)cc21 ZINC001455716228 1066426219 /nfs/dbraw/zinc/42/62/19/1066426219.db2.gz IUCQJOCEPAOVSF-QGZVFWFLSA-N 0 0 452.580 4.566 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2c[nH]c3ccc(Br)cc23)cs1 ZINC001455716233 1066426252 /nfs/dbraw/zinc/42/62/52/1066426252.db2.gz IVMITWLUUMZSTH-UHFFFAOYSA-N 0 0 451.346 4.664 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545965476 1066426292 /nfs/dbraw/zinc/42/62/92/1066426292.db2.gz YJVRCGIABRFSRN-AEFFLSMTSA-N 0 0 454.949 4.904 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCC2=CCCCC2)c1 ZINC001361144551 1066426352 /nfs/dbraw/zinc/42/63/52/1066426352.db2.gz JHLITDRCLHRWQY-NHCUHLMSSA-N 0 0 474.671 4.622 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001455717519 1066426640 /nfs/dbraw/zinc/42/66/40/1066426640.db2.gz UGAFTDHOPLLVQZ-KMEWNKIWSA-N 0 0 453.535 4.801 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CCCCCC3)CC2)c1 ZINC001361144565 1066426814 /nfs/dbraw/zinc/42/68/14/1066426814.db2.gz JLQVMFJWDVYDHB-UHFFFAOYSA-N 0 0 453.675 4.895 20 0 JJADRN O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180669 1066426872 /nfs/dbraw/zinc/42/68/72/1066426872.db2.gz TVASBOGKRQWKIU-GOEBONIOSA-N 0 0 454.315 4.912 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546075376 1066427341 /nfs/dbraw/zinc/42/73/41/1066427341.db2.gz MZLACBJHDOVSPT-WAIKUNEKSA-N 0 0 462.664 4.516 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001361145107 1066427500 /nfs/dbraw/zinc/42/75/00/1066427500.db2.gz PDUPZABBFJGEQY-QHCPKHFHSA-N 0 0 496.700 4.820 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCC1)NC(=O)OC(C)(C)C ZINC001545965520 1066427571 /nfs/dbraw/zinc/42/75/71/1066427571.db2.gz YWZVXDFOTQRLBF-INIZCTEOSA-N 0 0 464.010 4.899 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCC(C)CC3)n2CCCC(=O)NC2CC2)c1 ZINC001361145460 1066428062 /nfs/dbraw/zinc/42/80/62/1066428062.db2.gz YKFHRCYMKJBEPP-UHFFFAOYSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1cccc2sc(C(=O)NCCCC(=O)N3CCN(c4ccccc4)CC3)c(Cl)c21 ZINC001444202931 1066428340 /nfs/dbraw/zinc/42/83/40/1066428340.db2.gz YJTICRQAEHHFDG-UHFFFAOYSA-N 0 0 456.011 4.722 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546075852 1066428379 /nfs/dbraw/zinc/42/83/79/1066428379.db2.gz WKYHLRKOQWMTAA-QHCPKHFHSA-N 0 0 474.531 4.555 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCNc2ncc(Cl)cc2Cl)C1 ZINC001546075850 1066428396 /nfs/dbraw/zinc/42/83/96/1066428396.db2.gz WIEVGEMMKQWODQ-QFIPXVFZSA-N 0 0 460.413 4.704 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2Cc2ccc3c(n2)CCCC3)c1 ZINC001361145569 1066428892 /nfs/dbraw/zinc/42/88/92/1066428892.db2.gz AZWNGUKDXQHIJM-UHFFFAOYSA-N 0 0 459.516 4.795 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](O)c2c(F)cccc2F)c1 ZINC001455774380 1066429990 /nfs/dbraw/zinc/42/99/90/1066429990.db2.gz XSSXAHUCFDLJKZ-JOCHJYFZSA-N 0 0 451.448 4.728 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CCCCN3Cc3cccnc3)s2)cc1 ZINC001444212546 1066430005 /nfs/dbraw/zinc/43/00/05/1066430005.db2.gz FVRHZGHZCUHQLR-VGSWGCGISA-N 0 0 450.608 4.754 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(Cl)s2)cnn1C ZINC001361145831 1066430294 /nfs/dbraw/zinc/43/02/94/1066430294.db2.gz KRLZDCBDWHQYFK-UHFFFAOYSA-N 0 0 471.030 4.915 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545965438 1066430936 /nfs/dbraw/zinc/43/09/36/1066430936.db2.gz XULYHINNWJPEAY-CGTJXYLNSA-N 0 0 463.026 4.922 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc4c(c3)N[C@@H](C)CC(=O)N4)s2)cc1 ZINC001444215468 1066431005 /nfs/dbraw/zinc/43/10/05/1066431005.db2.gz LUIPOCSXIQWPDE-UONOGXRCSA-N 0 0 450.564 4.761 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCC(=O)N2CCCCC2)c1 ZINC001361146021 1066431715 /nfs/dbraw/zinc/43/17/15/1066431715.db2.gz OYPQPSVLUPWKAR-UHFFFAOYSA-N 0 0 497.043 4.561 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@]2(C)COCCO2)c1 ZINC001361146275 1066432127 /nfs/dbraw/zinc/43/21/27/1066432127.db2.gz YFCCIQTYWPWNJE-HSZRJFAPSA-N 0 0 477.030 4.631 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCC2CC2)nc1 ZINC001455794140 1066432272 /nfs/dbraw/zinc/43/22/72/1066432272.db2.gz RDGDVWHTHVIBOW-UHFFFAOYSA-N 0 0 459.974 4.691 20 0 JJADRN Cc1cc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001444239031 1066432135 /nfs/dbraw/zinc/43/21/35/1066432135.db2.gz LKXLQDOIJMCOJT-ZDUSSCGKSA-N 0 0 455.386 4.720 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2SCC)cc1F ZINC001361146739 1066432910 /nfs/dbraw/zinc/43/29/10/1066432910.db2.gz NWAUOGCCZGVQIB-LBPRGKRZSA-N 0 0 452.935 4.525 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1(C)C ZINC001455800726 1066433690 /nfs/dbraw/zinc/43/36/90/1066433690.db2.gz OVTVKUCQKVPUOQ-KRWDZBQOSA-N 0 0 453.461 4.736 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)Cc2nc(C3CCCCC3)cs2)C1 ZINC001455803392 1066433844 /nfs/dbraw/zinc/43/38/44/1066433844.db2.gz GFHQZXSPCDJMAN-MRXNPFEDSA-N 0 0 457.587 4.742 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361148275 1066434347 /nfs/dbraw/zinc/43/43/47/1066434347.db2.gz GCNTXXQNJPNGDW-BWKNWUBXSA-N 0 0 478.641 4.742 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444249678 1066435068 /nfs/dbraw/zinc/43/50/68/1066435068.db2.gz SPCFMXJEZRULAX-UDWIEESQSA-N 0 0 453.391 4.850 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)c2ccccn2)c1 ZINC001361148524 1066435324 /nfs/dbraw/zinc/43/53/24/1066435324.db2.gz NQGNHQMOKIMOGG-JOCHJYFZSA-N 0 0 463.626 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC001444252649 1066435898 /nfs/dbraw/zinc/43/58/98/1066435898.db2.gz KCQAPFFAZLXIHI-QGZVFWFLSA-N 0 0 454.914 4.545 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361148636 1066435904 /nfs/dbraw/zinc/43/59/04/1066435904.db2.gz QTQQQTPCUBKSIR-NRFANRHFSA-N 0 0 469.630 4.791 20 0 JJADRN Cc1c(=O)[nH]c2ccccc2c1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001444257144 1066436586 /nfs/dbraw/zinc/43/65/86/1066436586.db2.gz YPHNMTTWTRDJLW-UHFFFAOYSA-N 0 0 451.324 4.703 20 0 JJADRN CC[C@@](C)(NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)c1nc(C)cs1 ZINC001444255983 1066436838 /nfs/dbraw/zinc/43/68/38/1066436838.db2.gz CUKXNSVWFIAUGT-HSZRJFAPSA-N 0 0 457.621 4.924 20 0 JJADRN O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444258358 1066436952 /nfs/dbraw/zinc/43/69/52/1066436952.db2.gz GMSJEMDIGLDVTM-FGZHOGPDSA-N 0 0 450.362 4.768 20 0 JJADRN CCOc1nc2cc(C(=O)Nc3c(-c4ccc(Br)cc4)nc(C)n3C)ccc2[nH]1 ZINC001444259646 1066437747 /nfs/dbraw/zinc/43/77/47/1066437747.db2.gz HGRXRYUFFQEBCT-UHFFFAOYSA-N 0 0 454.328 4.685 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361148932 1066438171 /nfs/dbraw/zinc/43/81/71/1066438171.db2.gz BYQGFKBNUQQHAP-WOJBJXKFSA-N 0 0 469.655 4.813 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C(C)C)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361149020 1066438270 /nfs/dbraw/zinc/43/82/70/1066438270.db2.gz FMMWKOJOEHHLFI-UHFFFAOYSA-N 0 0 464.676 4.558 20 0 JJADRN Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1S(=O)(=O)NCc1ccccc1 ZINC001444263056 1066438466 /nfs/dbraw/zinc/43/84/66/1066438466.db2.gz FLKJJIRXKZHPGB-QFIPXVFZSA-N 0 0 452.576 4.824 20 0 JJADRN CN(C)[C@@H](CNC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1c(F)cccc1F ZINC001444267087 1066438928 /nfs/dbraw/zinc/43/89/28/1066438928.db2.gz UHQBDRGVCNERDW-QFIPXVFZSA-N 0 0 453.489 4.746 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361149424 1066439491 /nfs/dbraw/zinc/43/94/91/1066439491.db2.gz UMZRVPFGDZVXNB-LJQANCHMSA-N 0 0 473.618 4.698 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@@]2(C)COCCO2)c1 ZINC001361149383 1066439496 /nfs/dbraw/zinc/43/94/96/1066439496.db2.gz SPNDTCCNSNCNHN-SANMLTNESA-N 0 0 456.631 4.684 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)c2ccccc2Cl)c1 ZINC001444268650 1066439737 /nfs/dbraw/zinc/43/97/37/1066439737.db2.gz ZHNGMMGPNDGYKY-JTHBVZDNSA-N 0 0 452.913 4.746 20 0 JJADRN CN(C)[C@H](CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1)c1c(F)cccc1F ZINC001444267202 1066439750 /nfs/dbraw/zinc/43/97/50/1066439750.db2.gz VDGWZJJWXJTUPY-HXUWFJFHSA-N 0 0 456.924 4.985 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccnc(-c2ccccn2)n1 ZINC001361150057 1066440738 /nfs/dbraw/zinc/44/07/38/1066440738.db2.gz RLYVCELTYHUOSL-UHFFFAOYSA-N 0 0 451.368 4.933 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545966547 1066441137 /nfs/dbraw/zinc/44/11/37/1066441137.db2.gz GLWPSCNKBFPHGT-REWPJTCUSA-N 0 0 494.640 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001455847572 1066441102 /nfs/dbraw/zinc/44/11/02/1066441102.db2.gz OIUNOTAXFYIEJX-NRFANRHFSA-N 0 0 456.514 4.973 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361151048 1066441351 /nfs/dbraw/zinc/44/13/51/1066441351.db2.gz APVOZVCXNJYABZ-RBBKRZOGSA-N 0 0 481.641 4.886 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 ZINC001444275637 1066441986 /nfs/dbraw/zinc/44/19/86/1066441986.db2.gz WRMNWCNZZJKOQM-NRFANRHFSA-N 0 0 454.502 4.596 20 0 JJADRN CCC1N=NC(=S)N1CCNC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001444276425 1066442168 /nfs/dbraw/zinc/44/21/68/1066442168.db2.gz YNMZIXCBQUDEIZ-UHFFFAOYSA-N 0 0 452.605 4.739 20 0 JJADRN O=C(c1ccc(NCCN2CCOCC2)c(Cl)c1)N1CCC(CCc2ccccc2)CC1 ZINC001455852672 1066442148 /nfs/dbraw/zinc/44/21/48/1066442148.db2.gz GPESUFYESWKVDB-UHFFFAOYSA-N 0 0 456.030 4.569 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001361151235 1066442106 /nfs/dbraw/zinc/44/21/06/1066442106.db2.gz FOUCGQYTROHSOO-SFHVURJKSA-N 0 0 450.631 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001361151212 1066442112 /nfs/dbraw/zinc/44/21/12/1066442112.db2.gz FCLRBOZIATXUQY-AREMUKBSSA-N 0 0 484.666 4.837 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cnc4ncc(Br)cc4c3)cc2)n1 ZINC001444279832 1066442648 /nfs/dbraw/zinc/44/26/48/1066442648.db2.gz PVGZHBHMCHVYPC-HNNXBMFYSA-N 0 0 450.340 4.686 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001361151459 1066442644 /nfs/dbraw/zinc/44/26/44/1066442644.db2.gz AZSKNQJRDUBHMK-UHFFFAOYSA-N 0 0 492.546 4.967 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnc4ncc(Br)cc4c3)cc2)n1 ZINC001444279838 1066442738 /nfs/dbraw/zinc/44/27/38/1066442738.db2.gz PVGZHBHMCHVYPC-OAHLLOKOSA-N 0 0 450.340 4.686 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455868766 1066443383 /nfs/dbraw/zinc/44/33/83/1066443383.db2.gz BTBOMVBAOBHUGB-NVXWUHKLSA-N 0 0 455.502 4.646 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)s2)cc1 ZINC001444284940 1066443408 /nfs/dbraw/zinc/44/34/08/1066443408.db2.gz LDGUHQPYTBJITL-UHFFFAOYSA-N 0 0 458.543 4.704 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)C12CCCCC2 ZINC001444285471 1066443456 /nfs/dbraw/zinc/44/34/56/1066443456.db2.gz MGLIDCZRONERDL-ZEQRLZLVSA-N 0 0 455.643 4.886 20 0 JJADRN Cc1cc(C)c(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c(C)c1Br ZINC001444283469 1066443529 /nfs/dbraw/zinc/44/35/29/1066443529.db2.gz JDEHQZATLWHLFM-UHFFFAOYSA-N 0 0 452.352 4.952 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1nc(Br)sc1Cl)CC2 ZINC001455866981 1066443522 /nfs/dbraw/zinc/44/35/22/1066443522.db2.gz BJBNHQWNJNBFTI-UHFFFAOYSA-N 0 0 457.777 4.654 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC001444296503 1066444650 /nfs/dbraw/zinc/44/46/50/1066444650.db2.gz LSFDXJKNQLTYOA-UHFFFAOYSA-N 0 0 452.551 4.955 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)C12CCCCC2 ZINC001444297326 1066444762 /nfs/dbraw/zinc/44/47/62/1066444762.db2.gz XJZLBAXKMSERHK-NVXDSCFRSA-N 0 0 456.627 4.713 20 0 JJADRN CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 ZINC001455877957 1066444727 /nfs/dbraw/zinc/44/47/27/1066444727.db2.gz NOSOMLUEFDXBBI-ARFHVFGLSA-N 0 0 479.337 4.857 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)OCc1ccccc1 ZINC001455875285 1066444734 /nfs/dbraw/zinc/44/47/34/1066444734.db2.gz XSJORLNCOKBIFN-HFMPRLQTSA-N 0 0 460.496 4.715 20 0 JJADRN CCCOc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(OC(C)C)c1 ZINC001455878367 1066444794 /nfs/dbraw/zinc/44/47/94/1066444794.db2.gz OSWSWGWJCGLLRH-QZTJIDSGSA-N 0 0 474.520 4.790 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C12CCCCC2 ZINC001444297382 1066444878 /nfs/dbraw/zinc/44/48/78/1066444878.db2.gz XUUBKKHOTNDAHF-ZEQRLZLVSA-N 0 0 455.620 4.827 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CCC(c3ccccc3F)CC2)[C@@H]1c1ccc(OC)cc1 ZINC001444300107 1066445263 /nfs/dbraw/zinc/44/52/63/1066445263.db2.gz OPCDLWVYANGDRX-OZXSUGGESA-N 0 0 452.570 4.930 20 0 JJADRN CN(C)Cc1csc(CNC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC001455882250 1066445304 /nfs/dbraw/zinc/44/53/04/1066445304.db2.gz XNOWNJQGWCPEMD-XMMPIXPASA-N 0 0 450.633 4.631 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCCc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC001455880398 1066445364 /nfs/dbraw/zinc/44/53/64/1066445364.db2.gz OVOBSAMNPVTZMP-UHFFFAOYSA-N 0 0 450.922 4.726 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)c2nccs2)c1 ZINC001361152000 1066445362 /nfs/dbraw/zinc/44/53/62/1066445362.db2.gz NYURQUQAWRZUIX-LNLFQRSKSA-N 0 0 495.571 4.890 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C4CC4)C3)n2CCSCC(C)C)c1 ZINC001361152215 1066445934 /nfs/dbraw/zinc/44/59/34/1066445934.db2.gz QUWJDCNDLVWBAK-NFBKMPQASA-N 0 0 458.672 4.867 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CCSCC(C)C)c1 ZINC001361152218 1066445955 /nfs/dbraw/zinc/44/59/55/1066445955.db2.gz QUWJDCNDLVWBAK-REWPJTCUSA-N 0 0 458.672 4.867 20 0 JJADRN CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccc2ccccc21 ZINC001455885796 1066446100 /nfs/dbraw/zinc/44/61/00/1066446100.db2.gz FZKICPHMAFUROV-NRFANRHFSA-N 0 0 451.523 4.989 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)c1 ZINC001455889545 1066446705 /nfs/dbraw/zinc/44/67/05/1066446705.db2.gz MZOMZPCBSVVSAW-GOSISDBHSA-N 0 0 453.587 4.552 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001455889680 1066446724 /nfs/dbraw/zinc/44/67/24/1066446724.db2.gz RNRZMNWUIKSFAA-FHWLQOOXSA-N 0 0 455.640 4.564 20 0 JJADRN CC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001455893096 1066447301 /nfs/dbraw/zinc/44/73/01/1066447301.db2.gz WGUFGKXGSJGKTQ-XZOQPEGZSA-N 0 0 456.633 4.507 20 0 JJADRN O=C(/C=C\c1ccsc1C(F)(F)F)N1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001455894580 1066447343 /nfs/dbraw/zinc/44/73/43/1066447343.db2.gz FXLFTAORHLTLOQ-WAYWQWQTSA-N 0 0 452.889 4.658 20 0 JJADRN O=C(/C=C/c1ccsc1C(F)(F)F)N1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001455894574 1066447442 /nfs/dbraw/zinc/44/74/42/1066447442.db2.gz FXLFTAORHLTLOQ-AATRIKPKSA-N 0 0 452.889 4.658 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CCSCC(C)C)c1 ZINC001361152978 1066447828 /nfs/dbraw/zinc/44/78/28/1066447828.db2.gz YIHUPLNCOYKEBO-BKMJKUGQSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361153103 1066447909 /nfs/dbraw/zinc/44/79/09/1066447909.db2.gz UVUZTTXZAWVHEZ-GOSISDBHSA-N 0 0 476.547 4.790 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3ccc(C)s3)c2)cc1 ZINC001444318710 1066448085 /nfs/dbraw/zinc/44/80/85/1066448085.db2.gz DCFDBCWYXPHNLU-MRXNPFEDSA-N 0 0 458.605 4.617 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361153133 1066448530 /nfs/dbraw/zinc/44/85/30/1066448530.db2.gz VNSHHFBBFBGZQS-TZIWHRDSSA-N 0 0 471.646 4.966 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361153124 1066448602 /nfs/dbraw/zinc/44/86/02/1066448602.db2.gz VGHDJHPGBSYBTF-IBGZPJMESA-N 0 0 450.505 4.945 20 0 JJADRN CCCN(C(=O)c1ccc(I)cc1O)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444322137 1066448719 /nfs/dbraw/zinc/44/87/19/1066448719.db2.gz HGHLOLGHXNBLAC-MSOLQXFVSA-N 0 0 457.352 4.587 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N1CCC[C@H](Cc3nccs3)C1)N2C(=O)OC(C)(C)C ZINC001455904324 1066448726 /nfs/dbraw/zinc/44/87/26/1066448726.db2.gz ICNYYUWVRXIAOF-OXQOHEQNSA-N 0 0 459.587 4.738 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001546077396 1066448837 /nfs/dbraw/zinc/44/88/37/1066448837.db2.gz NPFYTSDQZCICAW-VWLOTQADSA-N 0 0 487.693 4.850 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001455907633 1066449297 /nfs/dbraw/zinc/44/92/97/1066449297.db2.gz ZOIRWQQZBJYNHB-MEBBXXQBSA-N 0 0 456.768 4.569 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361153296 1066449302 /nfs/dbraw/zinc/44/93/02/1066449302.db2.gz XCGWPWAUWIEXPW-QTYPKTMWSA-N 0 0 460.688 4.894 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)C1 ZINC001361153574 1066450013 /nfs/dbraw/zinc/45/00/13/1066450013.db2.gz JQZSWKQNDSJHFR-UZLBHIALSA-N 0 0 455.860 4.804 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)O2)[C@H]1C ZINC001455912918 1066450007 /nfs/dbraw/zinc/45/00/07/1066450007.db2.gz CKZZPLBQJGJPKL-XPGGHGTFSA-N 0 0 450.366 4.834 20 0 JJADRN CCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001444327086 1066449996 /nfs/dbraw/zinc/44/99/96/1066449996.db2.gz LKQDCJXHGLJOCW-LEWJYISDSA-N 0 0 457.640 4.935 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c(OC)c1 ZINC001361154022 1066450307 /nfs/dbraw/zinc/45/03/07/1066450307.db2.gz YPFNFTZPZUFEOX-ORAYPTAESA-N 0 0 457.832 4.557 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N[C@@H](C)c3cccc(SC(F)(F)F)c3)c(=O)[nH]c21 ZINC001455918950 1066451288 /nfs/dbraw/zinc/45/12/88/1066451288.db2.gz XPEJDKQXFPKESK-WSROAFLRSA-N 0 0 450.486 4.808 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001444335820 1066451175 /nfs/dbraw/zinc/45/11/75/1066451175.db2.gz FIALSHPJWHARSI-UHFFFAOYSA-N 0 0 457.368 4.952 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361154907 1066451679 /nfs/dbraw/zinc/45/16/79/1066451679.db2.gz GTNZCHZXKHSJIV-UXHICEINSA-N 0 0 469.630 4.623 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361154958 1066451707 /nfs/dbraw/zinc/45/17/07/1066451707.db2.gz HJATYCMIJFJOSC-UHFFFAOYSA-N 0 0 497.606 4.752 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001444345755 1066452528 /nfs/dbraw/zinc/45/25/28/1066452528.db2.gz WIRSAPREOIKKAN-ODOSVJCGSA-N 0 0 457.412 4.934 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)c1cnc2cccnn21 ZINC001455926717 1066452550 /nfs/dbraw/zinc/45/25/50/1066452550.db2.gz LQBVKWUCWIMVBC-UHFFFAOYSA-N 0 0 455.287 4.695 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H](C)c2nccs2)c1 ZINC001361155167 1066452948 /nfs/dbraw/zinc/45/29/48/1066452948.db2.gz NQMBZSIHKCAHTP-FQEVSTJZSA-N 0 0 469.655 4.723 20 0 JJADRN CN1C(=O)COc2ccc(C(=O)Nc3ccc(OCc4cccc(C(F)(F)F)c4)cc3)cc21 ZINC001455930006 1066453032 /nfs/dbraw/zinc/45/30/32/1066453032.db2.gz HPNQXJQAYKNTAB-UHFFFAOYSA-N 0 0 456.420 4.892 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001444348947 1066453130 /nfs/dbraw/zinc/45/31/30/1066453130.db2.gz GUMIARAEZMTQHM-XAUMDUMWSA-N 0 0 474.989 4.632 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3cc(Cl)c(OCC(C)C)c(OC)c3)CC2)s1 ZINC001444348095 1066453170 /nfs/dbraw/zinc/45/31/70/1066453170.db2.gz KTOHIPCLFAKQHR-UHFFFAOYSA-N 0 0 451.032 4.965 20 0 JJADRN Cc1ncc(Br)c(C(=O)NCCCCSc2ccccc2Br)n1 ZINC001444347399 1066453190 /nfs/dbraw/zinc/45/31/90/1066453190.db2.gz OXQVLJCRRRTCQA-UHFFFAOYSA-N 0 0 459.207 4.612 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)s1 ZINC001444355862 1066453942 /nfs/dbraw/zinc/45/39/42/1066453942.db2.gz UFFXPRHMPRVMPF-UHFFFAOYSA-N 0 0 452.542 4.876 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)C(=O)c1cccc(F)c1 ZINC001444354861 1066453968 /nfs/dbraw/zinc/45/39/68/1066453968.db2.gz CGTSUIKZQRKBEU-INIZCTEOSA-N 0 0 455.507 4.869 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001455934981 1066454284 /nfs/dbraw/zinc/45/42/84/1066454284.db2.gz NPLSHSUZDZUKJS-UHFFFAOYSA-N 0 0 452.348 4.973 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361155441 1066454349 /nfs/dbraw/zinc/45/43/49/1066454349.db2.gz UCHCUCROSYSAEP-OAQYLSRUSA-N 0 0 497.665 4.996 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2ccncc2)c1 ZINC001361155486 1066455123 /nfs/dbraw/zinc/45/51/23/1066455123.db2.gz VDCSTGIKSYVASB-UHFFFAOYSA-N 0 0 463.626 4.896 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2CCC(C)(C)O)c1 ZINC001361155543 1066455146 /nfs/dbraw/zinc/45/51/46/1066455146.db2.gz CYUHDOALKVITMN-PGRDOPGGSA-N 0 0 467.441 4.655 20 0 JJADRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC001444364686 1066455196 /nfs/dbraw/zinc/45/51/96/1066455196.db2.gz UYXBPZMRFLCJBU-JOCHJYFZSA-N 0 0 453.384 4.737 20 0 JJADRN C[C@H]1[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C(=O)OC(C)(C)C ZINC001455936274 1066455293 /nfs/dbraw/zinc/45/52/93/1066455293.db2.gz YRXWBIFFZGTZFZ-QFBILLFUSA-N 0 0 455.530 4.591 20 0 JJADRN C[C@@H]1[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C(=O)OC(C)(C)C ZINC001455936276 1066455298 /nfs/dbraw/zinc/45/52/98/1066455298.db2.gz YRXWBIFFZGTZFZ-VQIMIIECSA-N 0 0 455.530 4.591 20 0 JJADRN O=C(N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(C(F)(F)F)c[nH]c1=O ZINC001455936189 1066455307 /nfs/dbraw/zinc/45/53/07/1066455307.db2.gz ZITUTTDOHVXKSU-CQSZACIVSA-N 0 0 457.246 4.745 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C ZINC001545966966 1066455312 /nfs/dbraw/zinc/45/53/12/1066455312.db2.gz NLMGDAWMHWTPEZ-IBGZPJMESA-N 0 0 473.618 4.646 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCC(F)(F)F)c1 ZINC001361155748 1066455636 /nfs/dbraw/zinc/45/56/36/1066455636.db2.gz FZSWFVIXJAPOMB-IBGZPJMESA-N 0 0 481.563 4.557 20 0 JJADRN CN(C)[C@@H](C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1c(F)cccc1Cl ZINC001455936324 1066455682 /nfs/dbraw/zinc/45/56/82/1066455682.db2.gz SZOJDDVASCMWTQ-HSZRJFAPSA-N 0 0 454.929 4.755 20 0 JJADRN Cc1cc(C)c2c(c1)N(C(=O)c1cnn(-c3ccccc3)c1I)CCC2 ZINC001455937297 1066455765 /nfs/dbraw/zinc/45/57/65/1066455765.db2.gz CDZYSTFBULCGMQ-UHFFFAOYSA-N 0 0 457.315 4.687 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001455936391 1066455784 /nfs/dbraw/zinc/45/57/84/1066455784.db2.gz URESHQCKCKZYMB-HYBUGGRVSA-N 0 0 452.595 4.912 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC=C(Br)C3)n2C[C@H]2OCCC2(C)C)c1 ZINC001361155822 1066456332 /nfs/dbraw/zinc/45/63/32/1066456332.db2.gz GVGXBSGSZGTAQM-HXUWFJFHSA-N 0 0 475.431 4.778 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361155867 1066456376 /nfs/dbraw/zinc/45/63/76/1066456376.db2.gz HSFDPNUHTANHBB-LJQANCHMSA-N 0 0 469.630 4.577 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2CC=CCC2)c1 ZINC001361155933 1066456879 /nfs/dbraw/zinc/45/68/79/1066456879.db2.gz JDPUKGQCHADNDB-XZOQPEGZSA-N 0 0 465.642 4.571 20 0 JJADRN Cc1ccc(OCCC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c(Br)c1 ZINC001455945466 1066456960 /nfs/dbraw/zinc/45/69/60/1066456960.db2.gz VOOPVCTXAIBOAX-UHFFFAOYSA-N 0 0 457.290 4.550 20 0 JJADRN Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](CS(C)(=O)=O)c3ccccc3)cc2c1 ZINC001444393287 1066457460 /nfs/dbraw/zinc/45/74/60/1066457460.db2.gz XDBIKHVSQWZMCC-HSZRJFAPSA-N 0 0 451.544 4.691 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1nn2c(c1Br)CCC2 ZINC001455948245 1066457657 /nfs/dbraw/zinc/45/76/57/1066457657.db2.gz KQZXUMJJHIOAQW-UHFFFAOYSA-N 0 0 455.284 4.569 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156218 1066458069 /nfs/dbraw/zinc/45/80/69/1066458069.db2.gz QIGKMXSADOCBDT-WIYYLYMNSA-N 0 0 479.591 4.985 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001455949827 1066458197 /nfs/dbraw/zinc/45/81/97/1066458197.db2.gz TUENLUFSONTLBJ-UHFFFAOYSA-N 0 0 455.368 4.725 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(SC)c(C(=O)OC)c2)ccc1OCc1cccnc1 ZINC001455950136 1066458261 /nfs/dbraw/zinc/45/82/61/1066458261.db2.gz MGEMKWSZXXZNDC-UHFFFAOYSA-N 0 0 452.532 4.820 20 0 JJADRN CC(C)(C)c1nc(CN2CCCN(C(=O)c3sc4cccc(F)c4c3Cl)CC2)no1 ZINC001444399597 1066458210 /nfs/dbraw/zinc/45/82/10/1066458210.db2.gz JJPVISUXHYLGKD-UHFFFAOYSA-N 0 0 450.967 4.722 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967034 1066458245 /nfs/dbraw/zinc/45/82/45/1066458245.db2.gz OTZAQTYKWYPLAP-MJGOQNOKSA-N 0 0 471.602 4.604 20 0 JJADRN CSCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC001455950791 1066458954 /nfs/dbraw/zinc/45/89/54/1066458954.db2.gz XFMSBMPHMFMKDN-UHFFFAOYSA-N 0 0 451.577 4.575 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CC[C@H](C)C2)c1 ZINC001361156568 1066459409 /nfs/dbraw/zinc/45/94/09/1066459409.db2.gz YOSQZSQVDLHQSP-TUACAJSNSA-N 0 0 481.685 4.899 20 0 JJADRN CC(C)(C(=O)N1CCN(c2ccc3ccccc3n2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001444407676 1066459386 /nfs/dbraw/zinc/45/93/86/1066459386.db2.gz VIGZUDUWNYGFEJ-QFIPXVFZSA-N 0 0 458.389 4.950 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545967072 1066459485 /nfs/dbraw/zinc/45/94/85/1066459485.db2.gz PMDCCMIXWYJIOT-HMXCVIKNSA-N 0 0 487.645 4.508 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3NC(C)C)cc2)cc1 ZINC001444412609 1066460107 /nfs/dbraw/zinc/46/01/07/1066460107.db2.gz MXAAXUWHMFLZFD-UHFFFAOYSA-N 0 0 457.527 4.708 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)O[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cnc12 ZINC001361156679 1066459912 /nfs/dbraw/zinc/45/99/12/1066459912.db2.gz BRCCTWFFBNRXKD-SFHVURJKSA-N 0 0 458.358 4.961 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1 ZINC001444420633 1066460712 /nfs/dbraw/zinc/46/07/12/1066460712.db2.gz YEZMZBYTKKXELY-UHFFFAOYSA-N 0 0 456.608 4.858 20 0 JJADRN C[C@H]1Cc2cccc(C(=O)Nc3cc(I)ccc3Br)c2O1 ZINC001455961748 1066461250 /nfs/dbraw/zinc/46/12/50/1066461250.db2.gz CPTJXGVAKOMYBA-VIFPVBQESA-N 0 0 458.093 4.629 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)OC ZINC001545967160 1066461389 /nfs/dbraw/zinc/46/13/89/1066461389.db2.gz REVROEHUEGAXKH-RTWAWAEBSA-N 0 0 474.646 4.950 20 0 JJADRN CN(C(=O)CCSc1ccnc2cc(Cl)ccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158123 1066461376 /nfs/dbraw/zinc/46/13/76/1066461376.db2.gz MJNKELHHZIHHMW-INIZCTEOSA-N 0 0 450.004 4.838 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001444435214 1066461463 /nfs/dbraw/zinc/46/14/63/1066461463.db2.gz GCFZEDBVIFQOFS-HOYKHHGWSA-N 0 0 455.514 4.699 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1)c1ccc(F)cc1 ZINC001455962635 1066461701 /nfs/dbraw/zinc/46/17/01/1066461701.db2.gz JCBBLNSPQKKISM-KRWDZBQOSA-N 0 0 450.441 4.566 20 0 JJADRN C[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1cccc(Cl)c1Cl ZINC001444442962 1066461839 /nfs/dbraw/zinc/46/18/39/1066461839.db2.gz VDNSNBPKJJLIRQ-CHWSQXEVSA-N 0 0 453.370 4.932 20 0 JJADRN C[C@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ncc(-c2ccccc2)o1 ZINC001444437232 1066461941 /nfs/dbraw/zinc/46/19/41/1066461941.db2.gz JXRLIZYDYZWLQR-YJBOKZPZSA-N 0 0 452.511 4.893 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC2=CCCCC2)c1 ZINC001361158940 1066462586 /nfs/dbraw/zinc/46/25/86/1066462586.db2.gz JGUZJRXZLZCXAT-UHFFFAOYSA-N 0 0 465.642 4.669 20 0 JJADRN COc1cccc(Cn2[nH]c(C)c3c(NC(=O)c4ccc([C@@H](C)C(F)(F)F)cc4)nnc2-3)c1 ZINC001444458115 1066462702 /nfs/dbraw/zinc/46/27/02/1066462702.db2.gz YUGWYOKUXHJHCD-CYBMUJFWSA-N 0 0 457.456 4.994 20 0 JJADRN C/C(=C/C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001455967318 1066463219 /nfs/dbraw/zinc/46/32/19/1066463219.db2.gz ZEKDFDZVTQBMSM-KAMYIIQDSA-N 0 0 454.851 4.886 20 0 JJADRN COc1cc(CNC(=O)/C(C)=C\c2ccc(Br)o2)ccc1OCc1cccnc1 ZINC001444467848 1066463242 /nfs/dbraw/zinc/46/32/42/1066463242.db2.gz JQNUEOLTEDOVGG-GDNBJRDFSA-N 0 0 457.324 4.744 20 0 JJADRN CC(=O)c1ccc(OC(=O)c2ccc(I)c(Br)c2)c(C)c1 ZINC001455967237 1066463305 /nfs/dbraw/zinc/46/33/05/1066463305.db2.gz YHPDFXNNWZEPGN-UHFFFAOYSA-N 0 0 459.077 4.784 20 0 JJADRN CN(C(=O)c1cc(F)c(F)cc1I)c1cccc(OC(F)(F)F)c1 ZINC001455969929 1066463862 /nfs/dbraw/zinc/46/38/62/1066463862.db2.gz QFWRNISUDQKTGV-UHFFFAOYSA-N 0 0 457.136 4.745 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001546077995 1066463942 /nfs/dbraw/zinc/46/39/42/1066463942.db2.gz ZPTFBGVJQKQEPZ-HSZRJFAPSA-N 0 0 476.547 4.907 20 0 JJADRN COc1cc(CNC(=O)CCc2ccccc2Br)ccc1OCc1cccnc1 ZINC001444469218 1066463968 /nfs/dbraw/zinc/46/39/68/1066463968.db2.gz PHNFXSJQNLSLBD-UHFFFAOYSA-N 0 0 455.352 4.681 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967310 1066463978 /nfs/dbraw/zinc/46/39/78/1066463978.db2.gz VNZOVXWXBRGXKR-AZUAARDMSA-N 0 0 494.640 4.800 20 0 JJADRN Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)cc1OCC1CCCCC1 ZINC001444470459 1066464026 /nfs/dbraw/zinc/46/40/26/1066464026.db2.gz LSVXTLLIXJGQHD-UHFFFAOYSA-N 0 0 454.951 4.646 20 0 JJADRN CCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001444475122 1066464350 /nfs/dbraw/zinc/46/43/50/1066464350.db2.gz GOQDHHMKQBYAHU-UHFFFAOYSA-N 0 0 454.615 4.835 20 0 JJADRN CC[C@H]1C[C@H](CC(=O)Nc2cc(I)ccc2Br)CCO1 ZINC001455972904 1066464387 /nfs/dbraw/zinc/46/43/87/1066464387.db2.gz VXAVRKAEGOSMTF-PWSUYJOCSA-N 0 0 452.130 4.588 20 0 JJADRN O=C(Cc1ccc(Cl)s1)Nc1cc(I)ccc1Br ZINC001455974122 1066464468 /nfs/dbraw/zinc/46/44/68/1066464468.db2.gz ZBCHJMTYAIOHJX-UHFFFAOYSA-N 0 0 456.530 4.950 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1 ZINC001361159514 1066464507 /nfs/dbraw/zinc/46/45/07/1066464507.db2.gz BDDYOGKEQAUSMJ-KRWDZBQOSA-N 0 0 487.517 4.592 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2([S@@](C)=O)CC2)C1 ZINC001546078017 1066464548 /nfs/dbraw/zinc/46/45/48/1066464548.db2.gz ZXNROCQDUIQJOX-JPQMRUPTSA-N 0 0 479.090 4.789 20 0 JJADRN CCOc1ccc(N(C(=O)Cc2ccc(F)cc2F)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001455974610 1066464570 /nfs/dbraw/zinc/46/45/70/1066464570.db2.gz URBQTKIOQHFZEG-UHFFFAOYSA-N 0 0 456.455 4.966 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC(C)C)c1 ZINC001361159510 1066464563 /nfs/dbraw/zinc/46/45/63/1066464563.db2.gz BBKSXLUGIFMZDF-UHFFFAOYSA-N 0 0 470.662 4.540 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001444484785 1066465803 /nfs/dbraw/zinc/46/58/03/1066465803.db2.gz LQMDKEMOLFXDBF-RDTXWAMCSA-N 0 0 459.359 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)ccc21 ZINC001444483810 1066465878 /nfs/dbraw/zinc/46/58/78/1066465878.db2.gz LLFCTBBXGWENFY-LJQANCHMSA-N 0 0 455.530 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361159993 1066465785 /nfs/dbraw/zinc/46/57/85/1066465785.db2.gz QVPGOYYOQHQXPY-HBMCJLEFSA-N 0 0 469.630 4.576 20 0 JJADRN CCC1(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001444489277 1066465969 /nfs/dbraw/zinc/46/59/69/1066465969.db2.gz QFQCOUNEPPOILE-NRFANRHFSA-N 0 0 453.558 4.688 20 0 JJADRN CON(C[C@@H]1CCCc2ccccc21)C(=O)c1nc(Br)ccc1Br ZINC001455984161 1066466613 /nfs/dbraw/zinc/46/66/13/1066466613.db2.gz HQTJFRBXEYZCJE-ZDUSSCGKSA-N 0 0 454.162 4.730 20 0 JJADRN C[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455982567 1066466618 /nfs/dbraw/zinc/46/66/18/1066466618.db2.gz GAPMRAZWXGLLAA-MRXNPFEDSA-N 0 0 453.514 4.585 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001361160821 1066466521 /nfs/dbraw/zinc/46/65/21/1066466521.db2.gz BGETWGILWYHPHZ-UHFFFAOYSA-N 0 0 459.616 4.572 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2Cc2ccsc2)c1 ZINC001361160281 1066466571 /nfs/dbraw/zinc/46/65/71/1066466571.db2.gz WPNFVQJPEPDUIL-GOSISDBHSA-N 0 0 479.572 4.657 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(COc4cc(C)ccc4C)n3CCCC(C)C)CC2)oc1C ZINC001361160382 1066466597 /nfs/dbraw/zinc/46/65/97/1066466597.db2.gz XZQRLEVXRULMDS-UHFFFAOYSA-N 0 0 480.657 4.837 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455988779 1066467843 /nfs/dbraw/zinc/46/78/43/1066467843.db2.gz WXQRKLDZUIFAAT-JXQFQVJHSA-N 0 0 455.574 4.802 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001361161931 1066468377 /nfs/dbraw/zinc/46/83/77/1066468377.db2.gz CRYNPBKVHQZARE-OXJNMPFZSA-N 0 0 493.530 4.650 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C1 ZINC001444505754 1066468798 /nfs/dbraw/zinc/46/87/98/1066468798.db2.gz JHBVQKUOEJQAAK-INIZCTEOSA-N 0 0 459.015 4.538 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361162153 1066469053 /nfs/dbraw/zinc/46/90/53/1066469053.db2.gz JJEDMBYCLLOGRZ-HFZDXXHNSA-N 0 0 454.615 4.808 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361162365 1066470149 /nfs/dbraw/zinc/47/01/49/1066470149.db2.gz APHHOXAGCUXTEO-IBGZPJMESA-N 0 0 476.597 4.692 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361162367 1066470182 /nfs/dbraw/zinc/47/01/82/1066470182.db2.gz APHHOXAGCUXTEO-LJQANCHMSA-N 0 0 476.597 4.692 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCSC[C@@H]2C)c(C)o1 ZINC001361162353 1066470208 /nfs/dbraw/zinc/47/02/08/1066470208.db2.gz AJSPWWAUXIGNHU-BVZFJXPGSA-N 0 0 470.639 4.533 20 0 JJADRN COc1ccc(SCCCC(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)cc1 ZINC001361162896 1066470884 /nfs/dbraw/zinc/47/08/84/1066470884.db2.gz DUOSJMWKGSPBRT-UHFFFAOYSA-N 0 0 459.564 4.671 20 0 JJADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001444511774 1066471043 /nfs/dbraw/zinc/47/10/43/1066471043.db2.gz VMYHJJLPZGDMGX-VWNVYAMZSA-N 0 0 456.656 4.763 20 0 JJADRN O=C(Nc1ccnn1Cc1ccccc1F)c1cc(Br)sc1Br ZINC001456007893 1066471099 /nfs/dbraw/zinc/47/10/99/1066471099.db2.gz MCHIFXKITICSPN-UHFFFAOYSA-N 0 0 459.138 4.909 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1 ZINC001444513044 1066471492 /nfs/dbraw/zinc/47/14/92/1066471492.db2.gz XLXGXBYNFJOYBR-VWLOTQADSA-N 0 0 453.514 4.517 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cc1 ZINC001444516690 1066471770 /nfs/dbraw/zinc/47/17/70/1066471770.db2.gz YTHMVHDNHMLXBU-AOYPEHQESA-N 0 0 450.623 4.698 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC001444520018 1066472612 /nfs/dbraw/zinc/47/26/12/1066472612.db2.gz FCFAXRNAVPIBNU-UHFFFAOYSA-N 0 0 456.955 4.830 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC001444517345 1066472758 /nfs/dbraw/zinc/47/27/58/1066472758.db2.gz RNRGFGFSEPEKBY-AVRDEDQJSA-N 0 0 451.567 4.906 20 0 JJADRN COc1cc(NC(=O)Cn2c3ccccc3nc2-c2scnc2C)ccc1Br ZINC001361163990 1066473995 /nfs/dbraw/zinc/47/39/95/1066473995.db2.gz YQWOZRRZNMRVNZ-UHFFFAOYSA-N 0 0 457.353 4.878 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)s1 ZINC001456015451 1066474088 /nfs/dbraw/zinc/47/40/88/1066474088.db2.gz JMFVFSIHOKZSEH-LZJOCLMNSA-N 0 0 458.628 4.624 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361164053 1066474940 /nfs/dbraw/zinc/47/49/40/1066474940.db2.gz UGEXSNJKATWCCC-OFNKIYASSA-N 0 0 458.672 4.868 20 0 JJADRN C[C@H](O)CN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001444558393 1066475746 /nfs/dbraw/zinc/47/57/46/1066475746.db2.gz DOWQRZNZRGVQEJ-YADARESESA-N 0 0 450.966 4.611 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)c1ccc(-c2ccc(Br)cc2)n1C)c1ccccc1 ZINC001456018317 1066475802 /nfs/dbraw/zinc/47/58/02/1066475802.db2.gz LRWTWIKVVBEVOI-LJQANCHMSA-N 0 0 455.352 4.879 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)NC(C)(C)Cc3ccc(Br)cc3)cc2C1=O ZINC001361164516 1066475866 /nfs/dbraw/zinc/47/58/66/1066475866.db2.gz MPDDKANEXWUOAK-UHFFFAOYSA-N 0 0 457.368 4.596 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(COc2ccc(F)cc2)o1 ZINC001456018676 1066476440 /nfs/dbraw/zinc/47/64/40/1066476440.db2.gz PSBMZBKKEWIYCN-DEOSSOPVSA-N 0 0 458.489 4.978 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001456019035 1066476451 /nfs/dbraw/zinc/47/64/51/1066476451.db2.gz NQXMRGHVCNYLCM-RCZVLFRGSA-N 0 0 458.558 4.503 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001444562672 1066476461 /nfs/dbraw/zinc/47/64/61/1066476461.db2.gz FNYOHWFYEWXTAF-GOTSBHOMSA-N 0 0 456.558 4.672 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(-c4cnn(C)c4)n3CCCCOC(C)C)CC2)cc1 ZINC001361165701 1066477147 /nfs/dbraw/zinc/47/71/47/1066477147.db2.gz KVHGLKKKJSVBLB-UHFFFAOYSA-N 0 0 450.631 4.750 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccnc(-c2ccccc2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020007 1066477159 /nfs/dbraw/zinc/47/71/59/1066477159.db2.gz VSTPFFQHTJOWSF-YADARESESA-N 0 0 457.578 4.527 20 0 JJADRN O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456019479 1066477169 /nfs/dbraw/zinc/47/71/69/1066477169.db2.gz SBODLSJSZJXYND-HSZRJFAPSA-N 0 0 459.546 4.858 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444563995 1066477231 /nfs/dbraw/zinc/47/72/31/1066477231.db2.gz HURVQNCIQIMSLF-SAWYMBPVSA-N 0 0 451.007 4.696 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C(C)C)n3Cc3sccc3Br)C2)cc1 ZINC001361166659 1066477586 /nfs/dbraw/zinc/47/75/86/1066477586.db2.gz XXXYNGMICBEYSQ-NRFANRHFSA-N 0 0 461.429 4.680 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001444568441 1066477607 /nfs/dbraw/zinc/47/76/07/1066477607.db2.gz PSMFXPQMMNPOKH-LJQANCHMSA-N 0 0 456.739 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC001444569684 1066477714 /nfs/dbraw/zinc/47/77/14/1066477714.db2.gz ULLZPTYYHMLXBW-JBACZVJFSA-N 0 0 451.007 4.696 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCOc1cc(C)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020896 1066477674 /nfs/dbraw/zinc/47/76/74/1066477674.db2.gz WKAXQGUKQMTBAG-RXFWQSSRSA-N 0 0 451.611 4.842 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cn1 ZINC001456020995 1066477710 /nfs/dbraw/zinc/47/77/10/1066477710.db2.gz YEEBSVLKTSSJQH-UHFFFAOYSA-N 0 0 451.914 4.619 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2CCc2nc(C(C)(C)C)cs2)c1 ZINC001361166695 1066478338 /nfs/dbraw/zinc/47/83/38/1066478338.db2.gz YWKAUXOQJFRLGM-UHFFFAOYSA-N 0 0 465.627 4.948 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456021193 1066478440 /nfs/dbraw/zinc/47/84/40/1066478440.db2.gz YVVKBQYESVJRGC-CYFREDJKSA-N 0 0 453.631 4.621 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC001444575155 1066478400 /nfs/dbraw/zinc/47/84/00/1066478400.db2.gz ZEMHGHPAEJRXOR-IZAXUBKRSA-N 0 0 455.555 4.582 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 ZINC001444583923 1066479355 /nfs/dbraw/zinc/47/93/55/1066479355.db2.gz RBFKRMDHFSBZCB-UHFFFAOYSA-N 0 0 450.486 4.766 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3cc4cc(Br)ccc4s3)n[nH]2)cc1OC ZINC001444585627 1066479445 /nfs/dbraw/zinc/47/94/45/1066479445.db2.gz RCNIZYCWNRWORT-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)C)n3CCCc3ccnc(C(C)(C)C)n3)C2)cc1 ZINC001361167182 1066479899 /nfs/dbraw/zinc/47/98/99/1066479899.db2.gz JJJMVJDYDVRASP-MUUNZHRXSA-N 0 0 476.669 4.603 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc([C@H]4CCCCO4)n3CCCSCC(C)C)C2)cc1 ZINC001361167366 1066480029 /nfs/dbraw/zinc/48/00/29/1066480029.db2.gz OJBYZWLXQRVWPZ-RCZVLFRGSA-N 0 0 458.672 4.705 20 0 JJADRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001444601407 1066480172 /nfs/dbraw/zinc/48/01/72/1066480172.db2.gz KTRVMFHACXQYEU-IBGZPJMESA-N 0 0 458.580 4.781 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444601171 1066480223 /nfs/dbraw/zinc/48/02/23/1066480223.db2.gz JPEHGNGHAXAJTP-IFMALSPDSA-N 0 0 454.542 4.903 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(CC(C)(C)C)nnc3N3CCCN(CC(F)(F)F)CC3)co2)cc1 ZINC001361167426 1066480528 /nfs/dbraw/zinc/48/05/28/1066480528.db2.gz PUCSQTIGBZZZKI-UHFFFAOYSA-N 0 0 490.574 4.953 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)CCC(C)C)C2)cc1 ZINC001361167371 1066480549 /nfs/dbraw/zinc/48/05/49/1066480549.db2.gz OKEURDGNSGEPAN-IZZNHLLZSA-N 0 0 484.044 4.587 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)NC[C@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)s2)c(C)c1 ZINC001444602212 1066480773 /nfs/dbraw/zinc/48/07/73/1066480773.db2.gz GOJJOODABMKNID-WMZOPIPTSA-N 0 0 459.612 4.917 20 0 JJADRN Cc1cccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001444602240 1066480886 /nfs/dbraw/zinc/48/08/86/1066480886.db2.gz GQPDRNPQVMENKV-UHFFFAOYSA-N 0 0 450.347 4.774 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1 ZINC001456027694 1066481473 /nfs/dbraw/zinc/48/14/73/1066481473.db2.gz CVCRFVYAYYUUKV-MRXNPFEDSA-N 0 0 458.580 4.931 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001444605639 1066481615 /nfs/dbraw/zinc/48/16/15/1066481615.db2.gz JIKXEZRUSLSCRM-XHDPSFHLSA-N 0 0 450.885 4.849 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c(I)n1 ZINC001456029138 1066482256 /nfs/dbraw/zinc/48/22/56/1066482256.db2.gz HKMBRVJTCSZWTJ-UHFFFAOYSA-N 0 0 455.658 4.737 20 0 JJADRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001444609758 1066482154 /nfs/dbraw/zinc/48/21/54/1066482154.db2.gz WZBZRSMNHQIYQF-AWEZNQCLSA-N 0 0 456.258 4.925 20 0 JJADRN O=C(N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br)c1ns[nH]c1=O ZINC001444613555 1066482696 /nfs/dbraw/zinc/48/26/96/1066482696.db2.gz KPAIJBWLAFEZLK-AWEZNQCLSA-N 0 0 456.724 4.513 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c2)cc1 ZINC001456030819 1066482742 /nfs/dbraw/zinc/48/27/42/1066482742.db2.gz KTNZHRRHFSWORL-UHFFFAOYSA-N 0 0 452.514 4.958 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)n1 ZINC001456030793 1066482774 /nfs/dbraw/zinc/48/27/74/1066482774.db2.gz KJVKGIDEYVYEQK-LJQANCHMSA-N 0 0 458.990 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCCC(C)C)cc1Br ZINC001361169426 1066482788 /nfs/dbraw/zinc/48/27/88/1066482788.db2.gz DHJNMRYJACWORS-IRXDYDNUSA-N 0 0 485.492 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361169379 1066482874 /nfs/dbraw/zinc/48/28/74/1066482874.db2.gz CDKYMNSUYQVSBU-SFCDSYMBSA-N 0 0 470.639 4.985 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031818 1066483574 /nfs/dbraw/zinc/48/35/74/1066483574.db2.gz SEQHIIQZVURMQP-HNNXBMFYSA-N 0 0 455.805 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)CCC2)C1 ZINC001456030944 1066483610 /nfs/dbraw/zinc/48/36/10/1066483610.db2.gz NBWIZMVJLCZJNR-UHFFFAOYSA-N 0 0 456.514 4.709 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CCC(=O)N2CCCCCC2)o1 ZINC001361169637 1066483719 /nfs/dbraw/zinc/48/37/19/1066483719.db2.gz IGLYRYKDJGCKGC-GOKJBEJGSA-N 0 0 497.665 4.574 20 0 JJADRN COc1cc(C2(C(=O)N[C@H]3CCN(c4ccc(Br)cc4)C3)CCCC2)ccc1C ZINC001456031501 1066483751 /nfs/dbraw/zinc/48/37/51/1066483751.db2.gz BWDFVWBBCRKMIP-FQEVSTJZSA-N 0 0 457.412 4.973 20 0 JJADRN C[C@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC001456031085 1066483762 /nfs/dbraw/zinc/48/37/62/1066483762.db2.gz OGJQTJNJSBLENQ-AWEZNQCLSA-N 0 0 453.391 4.975 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1 ZINC001456032020 1066483765 /nfs/dbraw/zinc/48/37/65/1066483765.db2.gz ZKHZDKKDHHGGPH-UHFFFAOYSA-N 0 0 456.564 4.643 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2Cc2nc(C)c(C)s2)o1 ZINC001361169672 1066484068 /nfs/dbraw/zinc/48/40/68/1066484068.db2.gz IVDDKHFIPYSASU-KNTRGWTASA-N 0 0 469.636 4.903 20 0 JJADRN Cc1c(C)c(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)ccc1I ZINC001456032839 1066484031 /nfs/dbraw/zinc/48/40/31/1066484031.db2.gz WXJLPKMREVCMCI-XLKFXECMSA-N 0 0 478.256 4.664 20 0 JJADRN CCCCOCCN(C(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(Br)cc1 ZINC001444618247 1066484203 /nfs/dbraw/zinc/48/42/03/1066484203.db2.gz LBLZHBLHMXDELR-HHHXNRCGSA-N 0 0 452.414 4.791 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001444618849 1066484823 /nfs/dbraw/zinc/48/48/23/1066484823.db2.gz GWJHUABJBXWRSK-UTKZUKDTSA-N 0 0 454.571 4.599 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1 ZINC001444620800 1066484870 /nfs/dbraw/zinc/48/48/70/1066484870.db2.gz JVHFAPAILGHPGM-UHFFFAOYSA-N 0 0 453.008 4.830 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3c(F)cc(Br)cc3F)c(=O)oc2c1 ZINC001361170358 1066485165 /nfs/dbraw/zinc/48/51/65/1066485165.db2.gz HAFXBSWJQDGZGD-UHFFFAOYSA-N 0 0 452.251 4.722 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444622969 1066485141 /nfs/dbraw/zinc/48/51/41/1066485141.db2.gz NBXRRLMHPAFZAF-PPYMECGQSA-N 0 0 457.905 4.526 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444622981 1066485272 /nfs/dbraw/zinc/48/52/72/1066485272.db2.gz NBXRRLMHPAFZAF-WUKHSURWSA-N 0 0 457.905 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2ccc(Cl)nc2)o1 ZINC001361170197 1066485231 /nfs/dbraw/zinc/48/52/31/1066485231.db2.gz NCPCGBNAMLDRCT-INIZCTEOSA-N 0 0 485.997 4.544 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001444622419 1066485295 /nfs/dbraw/zinc/48/52/95/1066485295.db2.gz KNAULELSSNWKBC-RXVVDRJESA-N 0 0 454.567 4.650 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC001456035339 1066485917 /nfs/dbraw/zinc/48/59/17/1066485917.db2.gz QWNGNORAQLLOHH-SFHVURJKSA-N 0 0 459.493 4.981 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001444624753 1066485998 /nfs/dbraw/zinc/48/59/98/1066485998.db2.gz ORELLCVANDWBCT-QTEQDKRBSA-N 0 0 452.595 4.806 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001444624764 1066486092 /nfs/dbraw/zinc/48/60/92/1066486092.db2.gz ORELLCVANDWBCT-SXWKCWPCSA-N 0 0 452.595 4.806 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001444624773 1066486148 /nfs/dbraw/zinc/48/61/48/1066486148.db2.gz ORELLCVANDWBCT-ZRCGQRJVSA-N 0 0 452.595 4.806 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCNC(=O)Cc2cccc(F)c2)o1 ZINC001361171178 1066486503 /nfs/dbraw/zinc/48/65/03/1066486503.db2.gz SFNTWRIPSWGNJC-KRWDZBQOSA-N 0 0 467.570 4.603 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N[C@H](C)c1nc3ccccc3n1C)N2C(=O)OC(C)(C)C ZINC001444634444 1066486625 /nfs/dbraw/zinc/48/66/25/1066486625.db2.gz SEDUEFDACGFVSW-VFNWGFHPSA-N 0 0 452.530 4.564 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001456038731 1066486979 /nfs/dbraw/zinc/48/69/79/1066486979.db2.gz NEBDVWDDTZLIKE-IFXJQAMLSA-N 0 0 452.473 4.880 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456038454 1066487212 /nfs/dbraw/zinc/48/72/12/1066487212.db2.gz PEZAFBOSDQSIRG-CZUORRHYSA-N 0 0 457.290 4.630 20 0 JJADRN CCCCCSc1nc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc2s1 ZINC001444640049 1066487471 /nfs/dbraw/zinc/48/74/71/1066487471.db2.gz OAAHAVLCLNHQAA-DYVFJYSZSA-N 0 0 453.630 4.791 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cc1 ZINC001444648633 1066487987 /nfs/dbraw/zinc/48/79/87/1066487987.db2.gz KTOPLPFAOJNNHV-UGKGYDQZSA-N 0 0 455.603 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCCCC3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361171662 1066487974 /nfs/dbraw/zinc/48/79/74/1066487974.db2.gz QTFJYAYKTDGADE-UHFFFAOYSA-N 0 0 474.447 4.831 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cc1 ZINC001444648626 1066488076 /nfs/dbraw/zinc/48/80/76/1066488076.db2.gz KTOPLPFAOJNNHV-SIKLNZKXSA-N 0 0 455.603 4.505 20 0 JJADRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cc1 ZINC001444648614 1066488082 /nfs/dbraw/zinc/48/80/82/1066488082.db2.gz KTOPLPFAOJNNHV-DENIHFKCSA-N 0 0 455.603 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361172138 1066489263 /nfs/dbraw/zinc/48/92/63/1066489263.db2.gz ZQEZFNCIQQYPMF-INIZCTEOSA-N 0 0 451.493 4.634 20 0 JJADRN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001456044617 1066489447 /nfs/dbraw/zinc/48/94/47/1066489447.db2.gz CPKHUCDZBOICMF-JOCHJYFZSA-N 0 0 453.995 4.937 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001456044686 1066489524 /nfs/dbraw/zinc/48/95/24/1066489524.db2.gz DCTMMYXEZHFIMS-ABAIWWIYSA-N 0 0 457.543 4.567 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001444664054 1066489386 /nfs/dbraw/zinc/48/93/86/1066489386.db2.gz ARFSCDKTSJQSGV-CVDCTZTESA-N 0 0 454.364 4.537 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)cc1Br ZINC001361172889 1066490047 /nfs/dbraw/zinc/49/00/47/1066490047.db2.gz CEBQOIYTBQWSOI-IBGZPJMESA-N 0 0 493.471 4.530 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC001361172425 1066490146 /nfs/dbraw/zinc/49/01/46/1066490146.db2.gz BACUKFGMKVDAKH-UHFFFAOYSA-N 0 0 452.711 4.967 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1cc(Br)ccc1Cl ZINC001361172730 1066490152 /nfs/dbraw/zinc/49/01/52/1066490152.db2.gz IZPMJYDIAOVZIX-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001456046300 1066490594 /nfs/dbraw/zinc/49/05/94/1066490594.db2.gz DZKWYLBUJQERQG-PXAZEXFGSA-N 0 0 453.395 4.562 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C ZINC001456046263 1066490644 /nfs/dbraw/zinc/49/06/44/1066490644.db2.gz FAAMMDLQKIDSBX-FERCGXDMSA-N 0 0 450.482 4.837 20 0 JJADRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001444668523 1066490883 /nfs/dbraw/zinc/49/08/83/1066490883.db2.gz SOENLRVUZAOIJM-YFHOEESVSA-N 0 0 451.920 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC(F)(F)Br)cc1Br ZINC001361174094 1066491240 /nfs/dbraw/zinc/49/12/40/1066491240.db2.gz MMUUWCDPKRKJKI-LBPRGKRZSA-N 0 0 496.219 4.945 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361173865 1066491317 /nfs/dbraw/zinc/49/13/17/1066491317.db2.gz KPDHCAKKNVFRHT-CQSZACIVSA-N 0 0 453.399 4.602 20 0 JJADRN Cc1c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001444674629 1066491745 /nfs/dbraw/zinc/49/17/45/1066491745.db2.gz QXQXVKZHMORUDI-GOSISDBHSA-N 0 0 458.267 4.970 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1C ZINC001456048081 1066492238 /nfs/dbraw/zinc/49/22/38/1066492238.db2.gz JPPIEGSEACPWIV-HXUWFJFHSA-N 0 0 459.999 4.705 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Br)cc2)no1 ZINC001444678658 1066492315 /nfs/dbraw/zinc/49/23/15/1066492315.db2.gz VYBHJVXGDFMHMC-INIZCTEOSA-N 0 0 456.123 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCc2ccsc2)o1 ZINC001361175467 1066492847 /nfs/dbraw/zinc/49/28/47/1066492847.db2.gz OJWUANULUFWFDG-UHFFFAOYSA-N 0 0 455.971 4.879 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001456049746 1066492820 /nfs/dbraw/zinc/49/28/20/1066492820.db2.gz TYWKYLNYRHBDKL-DOMZBBRYSA-N 0 0 454.379 4.611 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)c1C ZINC001456049559 1066492868 /nfs/dbraw/zinc/49/28/68/1066492868.db2.gz NQHOIHIFWRSRSR-QUCCMNQESA-N 0 0 459.409 4.636 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001444679660 1066492703 /nfs/dbraw/zinc/49/27/03/1066492703.db2.gz BKPJAWHOFVCPBM-UHFFFAOYSA-N 0 0 458.580 4.895 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](C)Oc3cccc(Cl)c3)c2)cc1 ZINC001444680760 1066492906 /nfs/dbraw/zinc/49/29/06/1066492906.db2.gz BKHFHHHWAWAPPO-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN C[C@@H](CNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)CN1CCOCC1 ZINC001444686602 1066492943 /nfs/dbraw/zinc/49/29/43/1066492943.db2.gz OIURZBLRJSTRLF-FQEVSTJZSA-N 0 0 450.604 4.692 20 0 JJADRN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001456050375 1066493499 /nfs/dbraw/zinc/49/34/99/1066493499.db2.gz RGQYUWJADDILNX-GOSISDBHSA-N 0 0 455.432 4.889 20 0 JJADRN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)cc2N1 ZINC001444694280 1066493666 /nfs/dbraw/zinc/49/36/66/1066493666.db2.gz YJWHOUYNKVZFRV-OAHLLOKOSA-N 0 0 456.384 4.834 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001456051310 1066493851 /nfs/dbraw/zinc/49/38/51/1066493851.db2.gz OGYGPRJANKWGLR-LIRRHRJNSA-N 0 0 452.498 4.748 20 0 JJADRN Cc1cccc(C2(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CCCC2)c1 ZINC001361175830 1066493873 /nfs/dbraw/zinc/49/38/73/1066493873.db2.gz DSZRVPVPAOIBIJ-UHFFFAOYSA-N 0 0 454.636 4.688 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)Nc3cc(C(=O)N4CCSCC4)ccc3C)cc2c1 ZINC001361175989 1066494547 /nfs/dbraw/zinc/49/45/47/1066494547.db2.gz FXINJPBNODNQOY-UHFFFAOYSA-N 0 0 455.967 4.647 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1 ZINC001456053676 1066494490 /nfs/dbraw/zinc/49/44/90/1066494490.db2.gz PMFXJAYOIGCEPN-HSZRJFAPSA-N 0 0 450.535 4.964 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)c2ccccc2Cl)c(C)c1 ZINC001444705822 1066495100 /nfs/dbraw/zinc/49/51/00/1066495100.db2.gz NDGJEHFKLPOREZ-NRFANRHFSA-N 0 0 453.951 4.616 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(F)c(Br)c(Cl)c2)c(OC(F)F)c1 ZINC001456054765 1066495087 /nfs/dbraw/zinc/49/50/87/1066495087.db2.gz HOMLQUCXOSGKTP-UHFFFAOYSA-N 0 0 452.610 4.882 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)cc1 ZINC001361177028 1066495084 /nfs/dbraw/zinc/49/50/84/1066495084.db2.gz QMYXWEAVRLPQGH-UHFFFAOYSA-N 0 0 452.414 4.519 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc4ccccc4o3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361177410 1066495169 /nfs/dbraw/zinc/49/51/69/1066495169.db2.gz CLWFIVMMAVFJHQ-UHFFFAOYSA-N 0 0 451.527 4.754 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2Cl)c(C)c1 ZINC001444710257 1066495769 /nfs/dbraw/zinc/49/57/69/1066495769.db2.gz YLMYPYRNEIWQHM-LADGPHEKSA-N 0 0 451.954 4.662 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545968729 1066495834 /nfs/dbraw/zinc/49/58/34/1066495834.db2.gz KNZRPFMPFVJWKA-ZWKOTPCHSA-N 0 0 478.037 4.717 20 0 JJADRN COc1ccc([C@H](NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2Cl)c(C)c1 ZINC001444708577 1066495943 /nfs/dbraw/zinc/49/59/43/1066495943.db2.gz UZMHECCBVMRCAI-QHCPKHFHSA-N 0 0 451.954 4.741 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361177461 1066495957 /nfs/dbraw/zinc/49/59/57/1066495957.db2.gz FHIIWWOTNJOUEA-IBGZPJMESA-N 0 0 472.590 4.637 20 0 JJADRN COc1ccc([C@@H](NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc2Cl)c(C)c1 ZINC001444710830 1066496655 /nfs/dbraw/zinc/49/66/55/1066496655.db2.gz SZXUYBOVFGAMDR-HSZRJFAPSA-N 0 0 457.357 4.946 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC001444720195 1066496758 /nfs/dbraw/zinc/49/67/58/1066496758.db2.gz DHRATICNBYEWDL-OAHLLOKOSA-N 0 0 456.901 4.937 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001456057151 1066496652 /nfs/dbraw/zinc/49/66/52/1066496652.db2.gz UQJMQKWBMJVJGT-QKKBWIMNSA-N 0 0 459.509 4.703 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cccc2c(Br)cccc12 ZINC001456056391 1066496729 /nfs/dbraw/zinc/49/67/29/1066496729.db2.gz WWGFJWVJSCMSPO-IBGZPJMESA-N 0 0 459.340 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CCCNC(=O)c2occc2C)o1 ZINC001361177747 1066496962 /nfs/dbraw/zinc/49/69/62/1066496962.db2.gz PGVPTCJIJRFSCO-UHFFFAOYSA-N 0 0 487.482 4.622 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)cc(Br)c2)c(C)c1 ZINC001456058208 1066497485 /nfs/dbraw/zinc/49/74/85/1066497485.db2.gz YPKDPVNCYVNYSB-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2Cc2sccc2Br)o1 ZINC001361177920 1066497631 /nfs/dbraw/zinc/49/76/31/1066497631.db2.gz VCTWILZILWCZAJ-UHFFFAOYSA-N 0 0 462.373 4.960 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@H]1C ZINC001361177963 1066497729 /nfs/dbraw/zinc/49/77/29/1066497729.db2.gz WHYDQLQJPFGNSM-IQMFZBJNSA-N 0 0 488.430 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@]2(O)CCC[C@H]2C)o1 ZINC001361177897 1066497745 /nfs/dbraw/zinc/49/77/45/1066497745.db2.gz BHGMOFBPVCHAIH-QRQCRPRQSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(F)c3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361178562 1066498865 /nfs/dbraw/zinc/49/88/65/1066498865.db2.gz OHQCVOIYQXWQQH-UHFFFAOYSA-N 0 0 453.518 4.973 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3c(F)cccc3F)s2)cc1C ZINC001456062343 1066498984 /nfs/dbraw/zinc/49/89/84/1066498984.db2.gz ZLZUEZHRACJAFU-QGZVFWFLSA-N 0 0 459.543 4.859 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)CC2=O)c1 ZINC001456064890 1066499688 /nfs/dbraw/zinc/49/96/88/1066499688.db2.gz BJSGWMXVGJXOJP-CQSZACIVSA-N 0 0 459.543 4.886 20 0 JJADRN CC[C@H](NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001444741535 1066500093 /nfs/dbraw/zinc/50/00/93/1066500093.db2.gz NUNCFZQQLCFUCR-RYUDHWBXSA-N 0 0 455.568 4.766 20 0 JJADRN CO[C@H](CNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001444741196 1066500139 /nfs/dbraw/zinc/50/01/39/1066500139.db2.gz QFOKKUPHXAVDPM-HSZRJFAPSA-N 0 0 450.966 4.830 20 0 JJADRN CCN(C(=O)Cc1cc[nH]c(=O)c1Br)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456065780 1066500166 /nfs/dbraw/zinc/50/01/66/1066500166.db2.gz LFPGWAJJKBMRPO-NRFANRHFSA-N 0 0 458.331 4.573 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC001444748587 1066500638 /nfs/dbraw/zinc/50/06/38/1066500638.db2.gz XYWQEAWPUOOBSL-WZONZLPQSA-N 0 0 452.576 4.680 20 0 JJADRN C[C@](O)(CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F ZINC001444744896 1066500788 /nfs/dbraw/zinc/50/07/88/1066500788.db2.gz IHQWJWLMIIOAEA-NRFANRHFSA-N 0 0 455.288 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)Oc2cccc(F)c2)o1 ZINC001361180668 1066501223 /nfs/dbraw/zinc/50/12/23/1066501223.db2.gz DYDMZULKPXKTCD-HNNXBMFYSA-N 0 0 492.477 4.842 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2=CCCOC2)cc1Br ZINC001361180771 1066501529 /nfs/dbraw/zinc/50/15/29/1066501529.db2.gz HYMPBWBJQSRMFG-UHFFFAOYSA-N 0 0 497.441 4.913 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC(=O)Nc2cccc(Cl)c2C)o1 ZINC001361180895 1066501561 /nfs/dbraw/zinc/50/15/61/1066501561.db2.gz LFDVSXNWCBVCBE-UHFFFAOYSA-N 0 0 464.957 4.869 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2Cc2sccc2Br)o1 ZINC001361180855 1066501684 /nfs/dbraw/zinc/50/16/84/1066501684.db2.gz AFBIVWKKKWMERB-UHFFFAOYSA-N 0 0 450.387 4.812 20 0 JJADRN Cc1ccc2nc(COc3ccc(C(=O)Nc4cnc(Br)cc4C)cc3)cn2c1 ZINC001444755945 1066501611 /nfs/dbraw/zinc/50/16/11/1066501611.db2.gz SJHNMTRCAHYJQT-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)nn1C ZINC001444754779 1066501641 /nfs/dbraw/zinc/50/16/41/1066501641.db2.gz QGBUFFNWEFLEQK-GOSISDBHSA-N 0 0 452.559 4.675 20 0 JJADRN Cc1cc([C@@](C)(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(C)o1 ZINC001444761210 1066502169 /nfs/dbraw/zinc/50/21/69/1066502169.db2.gz TXBOGBJGCJQWKV-QHCPKHFHSA-N 0 0 457.983 4.955 20 0 JJADRN COc1cc(/C=C/C(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc(Br)c1O ZINC001444766385 1066502706 /nfs/dbraw/zinc/50/27/06/1066502706.db2.gz KHCDQFLKLMHDOZ-AATRIKPKSA-N 0 0 454.723 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCc2cccc(F)c2F)o1 ZINC001361181277 1066502946 /nfs/dbraw/zinc/50/29/46/1066502946.db2.gz SFHUYHKBIPSNRI-UHFFFAOYSA-N 0 0 480.441 4.756 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC001456073484 1066503166 /nfs/dbraw/zinc/50/31/66/1066503166.db2.gz GIBQQRFTHRNPFG-CQSZACIVSA-N 0 0 451.296 4.618 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444771901 1066503196 /nfs/dbraw/zinc/50/31/96/1066503196.db2.gz WTBUJJWYKSHXKW-HNNXBMFYSA-N 0 0 458.327 4.936 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2Cc2cccc(C(F)(F)F)n2)o1 ZINC001361181472 1066503299 /nfs/dbraw/zinc/50/32/99/1066503299.db2.gz XVVWZMLXGBVMDR-UHFFFAOYSA-N 0 0 471.487 4.858 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(C)[nH]nc2C(F)(F)F)cc1 ZINC001444777256 1066503674 /nfs/dbraw/zinc/50/36/74/1066503674.db2.gz KSRFLQFQPRGATG-UHFFFAOYSA-N 0 0 453.442 4.575 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001444781281 1066503833 /nfs/dbraw/zinc/50/38/33/1066503833.db2.gz AEZJMBFMQWITJS-UHFFFAOYSA-N 0 0 450.526 4.670 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)C1 ZINC001456076717 1066504001 /nfs/dbraw/zinc/50/40/01/1066504001.db2.gz IQRUJUVVKCRTMN-NHCUHLMSSA-N 0 0 455.986 4.649 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccc(Br)cc3)c2)c1 ZINC001456077998 1066504524 /nfs/dbraw/zinc/50/45/24/1066504524.db2.gz LBFGGZYWBRFEGM-UHFFFAOYSA-N 0 0 459.365 4.835 20 0 JJADRN Cc1cc(I)cnc1NC(=O)C(C)(C)c1ccccc1Br ZINC001361182632 1066504611 /nfs/dbraw/zinc/50/46/11/1066504611.db2.gz FIGVCJXSYNDNGO-UHFFFAOYSA-N 0 0 459.125 4.673 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1OCCC ZINC001361182570 1066504757 /nfs/dbraw/zinc/50/47/57/1066504757.db2.gz DGPUNCJVLDXOHP-UHFFFAOYSA-N 0 0 454.308 4.825 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001545969212 1066504722 /nfs/dbraw/zinc/50/47/22/1066504722.db2.gz TVYASTIBEFXCPG-AWEZNQCLSA-N 0 0 457.953 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC[C@@H]2CCOC2)cc1Br ZINC001361182817 1066505012 /nfs/dbraw/zinc/50/50/12/1066505012.db2.gz BMTYKJKFZKDCLM-KLHKWILBSA-N 0 0 451.384 4.627 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCCNc2ccccn2)cc1Br ZINC001361183131 1066505024 /nfs/dbraw/zinc/50/50/24/1066505024.db2.gz FXTJQTAEFCYSCI-FQEVSTJZSA-N 0 0 499.457 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361183103 1066505046 /nfs/dbraw/zinc/50/50/46/1066505046.db2.gz FPEQUJADGUHRKV-LMDPOFIKSA-N 0 0 461.582 4.678 20 0 JJADRN Cn1nc(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1NC(=O)OC(C)(C)C ZINC001456080719 1066505486 /nfs/dbraw/zinc/50/54/86/1066505486.db2.gz VYQLCNUQYLBFNX-CYBMUJFWSA-N 0 0 452.477 4.593 20 0 JJADRN CCNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1 ZINC001444802936 1066505700 /nfs/dbraw/zinc/50/57/00/1066505700.db2.gz AXRMIGIQHGGDIC-UHFFFAOYSA-N 0 0 454.514 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CCO[C@H](c4ccc(Cl)s4)C3)CC2)CC1 ZINC001444804148 1066505911 /nfs/dbraw/zinc/50/59/11/1066505911.db2.gz MLJHSTSATJUDIM-INIZCTEOSA-N 0 0 455.020 4.729 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC001444804763 1066506007 /nfs/dbraw/zinc/50/60/07/1066506007.db2.gz LTJDXTMEWSDAMR-ZHRRBRCNSA-N 0 0 458.961 4.950 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)s1 ZINC001444805857 1066506053 /nfs/dbraw/zinc/50/60/53/1066506053.db2.gz PAVIXUDIFUTDDG-CYBMUJFWSA-N 0 0 458.005 4.738 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)c3cc(Cl)ccc3I)c2)o1 ZINC001361183619 1066506090 /nfs/dbraw/zinc/50/60/90/1066506090.db2.gz VOEPALQBKTZEDH-UHFFFAOYSA-N 0 0 453.667 4.809 20 0 JJADRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC001444807178 1066506436 /nfs/dbraw/zinc/50/64/36/1066506436.db2.gz SUQCZUMGTKCIMH-QMHKHESXSA-N 0 0 456.514 4.989 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546079215 1066506680 /nfs/dbraw/zinc/50/66/80/1066506680.db2.gz HOLNVNKUEHMVRE-SANMLTNESA-N 0 0 453.631 4.503 20 0 JJADRN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)o2)cc1 ZINC001456087787 1066507046 /nfs/dbraw/zinc/50/70/46/1066507046.db2.gz NTOVIPMGEXHFKS-XMMPIXPASA-N 0 0 453.542 4.746 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC001456088548 1066507102 /nfs/dbraw/zinc/50/71/02/1066507102.db2.gz BEGROJAURCSVCZ-UHFFFAOYSA-N 0 0 451.544 4.836 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC001456088969 1066507117 /nfs/dbraw/zinc/50/71/17/1066507117.db2.gz DXRYWAFNBRBJJG-PXLXIMEGSA-N 0 0 452.457 4.592 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444808008 1066507136 /nfs/dbraw/zinc/50/71/36/1066507136.db2.gz HAPDEDJHCHBPPX-IBGZPJMESA-N 0 0 452.308 4.628 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361184534 1066507634 /nfs/dbraw/zinc/50/76/34/1066507634.db2.gz MQBQAEDJMLCUFD-RUCARUNLSA-N 0 0 495.437 4.990 20 0 JJADRN Cc1ccc(O[C@H](C)CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001444808679 1066507648 /nfs/dbraw/zinc/50/76/48/1066507648.db2.gz LVCGZSJVMYCVDS-HXUWFJFHSA-N 0 0 458.558 4.807 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cncc(OCC(F)F)c1 ZINC001456090575 1066507678 /nfs/dbraw/zinc/50/76/78/1066507678.db2.gz XIXKYTXDJXJGDX-JOCHJYFZSA-N 0 0 451.473 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCn3ccnc3C2)cc1Br ZINC001361184592 1066508096 /nfs/dbraw/zinc/50/80/96/1066508096.db2.gz NWUMKWPCTJMLPY-HNNXBMFYSA-N 0 0 497.363 4.864 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc(C(C)(C)C)c1O ZINC001456094851 1066508135 /nfs/dbraw/zinc/50/81/35/1066508135.db2.gz LXJUVOPEACVMAE-UHFFFAOYSA-N 0 0 450.583 4.532 20 0 JJADRN C[C@@H](CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)c1ccc(F)cc1F ZINC001444812715 1066508286 /nfs/dbraw/zinc/50/82/86/1066508286.db2.gz PGHXEYXWYKTRKS-AWEZNQCLSA-N 0 0 456.580 4.561 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001444813341 1066508351 /nfs/dbraw/zinc/50/83/51/1066508351.db2.gz YSIKRYUDAHLPDO-LBPRGKRZSA-N 0 0 455.388 4.600 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C ZINC001361184868 1066508636 /nfs/dbraw/zinc/50/86/36/1066508636.db2.gz BCEAYXBBYJXMGW-OAQYLSRUSA-N 0 0 453.366 4.859 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001361184872 1066508644 /nfs/dbraw/zinc/50/86/44/1066508644.db2.gz BGGSXQVMYYJBCF-PXDATVDWSA-N 0 0 456.583 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC001361185020 1066508672 /nfs/dbraw/zinc/50/86/72/1066508672.db2.gz WXCCPLDXDPSMBG-UHFFFAOYSA-N 0 0 494.514 4.671 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1)c1ccc(Br)cc1 ZINC001361185066 1066508752 /nfs/dbraw/zinc/50/87/52/1066508752.db2.gz CBEMSQGHUMKUEO-UHFFFAOYSA-N 0 0 457.368 4.733 20 0 JJADRN COC1(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001456099134 1066508886 /nfs/dbraw/zinc/50/88/86/1066508886.db2.gz NBZVWAQTGCVWTR-UHFFFAOYSA-N 0 0 451.614 4.843 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)nn1-c1ccc(Cl)cc1Cl ZINC001456098866 1066509220 /nfs/dbraw/zinc/50/92/20/1066509220.db2.gz MWDROKNYLUSGID-OAHLLOKOSA-N 0 0 451.304 4.774 20 0 JJADRN COc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1OCc1ccccc1Cl ZINC001456099659 1066509230 /nfs/dbraw/zinc/50/92/30/1066509230.db2.gz QOISQFDBJDVGGC-INIZCTEOSA-N 0 0 454.958 4.860 20 0 JJADRN O=C(O[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(Cn2ccnn2)c1 ZINC001456098940 1066509245 /nfs/dbraw/zinc/50/92/45/1066509245.db2.gz CFMOPOFDLWTCGL-QGZVFWFLSA-N 0 0 454.246 4.939 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545969536 1066509435 /nfs/dbraw/zinc/50/94/35/1066509435.db2.gz ZJQWTNSPUIAAIS-CEXWTWQISA-N 0 0 459.660 4.887 20 0 JJADRN CCCN(CC)c1ccc(C(=O)NC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC001361185756 1066509634 /nfs/dbraw/zinc/50/96/34/1066509634.db2.gz JQKHCYFORPDAGY-UHFFFAOYSA-N 0 0 453.583 4.621 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)c1ccc(F)cc1F ZINC001456101510 1066509734 /nfs/dbraw/zinc/50/97/34/1066509734.db2.gz HPNKXTHIZKWNSM-NRFANRHFSA-N 0 0 458.505 4.622 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cc1 ZINC001456101070 1066509960 /nfs/dbraw/zinc/50/99/60/1066509960.db2.gz IMFQGUFBCYOOQJ-UHFFFAOYSA-N 0 0 453.340 4.801 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444821369 1066509886 /nfs/dbraw/zinc/50/98/86/1066509886.db2.gz YTIAEFPTMLIIDT-DVECYGJZSA-N 0 0 458.599 4.543 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545969562 1066509928 /nfs/dbraw/zinc/50/99/28/1066509928.db2.gz ZRXICVJXROBYOE-DLBZAZTESA-N 0 0 464.010 4.517 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)C1 ZINC001361186628 1066510006 /nfs/dbraw/zinc/51/00/06/1066510006.db2.gz YRNHJLDRXZMALQ-QGZVFWFLSA-N 0 0 457.537 4.577 20 0 JJADRN O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001361186384 1066510039 /nfs/dbraw/zinc/51/00/39/1066510039.db2.gz UBRHLSCUAGLGPV-KZNAEPCWSA-N 0 0 456.386 4.611 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)/C=C\c3cnc(C(C)(C)C)s3)CCCC2)cc1OC ZINC001361186533 1066510111 /nfs/dbraw/zinc/51/01/11/1066510111.db2.gz SPIHTGWZJSMQMR-LUAWRHEFSA-N 0 0 457.596 4.539 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)[C@H](C)C2)cc1C ZINC001361186280 1066510136 /nfs/dbraw/zinc/51/01/36/1066510136.db2.gz PXQGQRIRKHVUAD-IRLDBZIGSA-N 0 0 454.014 4.546 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)[C@@](C)(O)CN3c4ccccc4C(C)(C)C3=O)ccc2C)c1 ZINC001444833256 1066510323 /nfs/dbraw/zinc/51/03/23/1066510323.db2.gz DCUNIUSGSGXELM-MHZLTWQESA-N 0 0 459.546 4.505 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cncc(-c2ccc(OC)cc2C)c1)C1CC1 ZINC001456104165 1066510363 /nfs/dbraw/zinc/51/03/63/1066510363.db2.gz GXRCQJUILMKYBB-AREMUKBSSA-N 0 0 458.558 4.845 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001444829524 1066510569 /nfs/dbraw/zinc/51/05/69/1066510569.db2.gz SWHCICJJUBDBHN-IMSXRSKXSA-N 0 0 453.558 4.662 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001444829523 1066510583 /nfs/dbraw/zinc/51/05/83/1066510583.db2.gz SWHCICJJUBDBHN-HFMPRLQTSA-N 0 0 453.558 4.662 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC001456107596 1066511005 /nfs/dbraw/zinc/51/10/05/1066511005.db2.gz RGCQROVPULBQTO-SFHVURJKSA-N 0 0 456.543 4.515 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)C1CCCCCC1 ZINC001456110687 1066511481 /nfs/dbraw/zinc/51/14/81/1066511481.db2.gz RMAIOOCECGTHOA-OAQYLSRUSA-N 0 0 453.608 4.944 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456110061 1066511549 /nfs/dbraw/zinc/51/15/49/1066511549.db2.gz YFSQAWKKISMGDF-SNVBAGLBSA-N 0 0 454.296 4.576 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC001444845131 1066511546 /nfs/dbraw/zinc/51/15/46/1066511546.db2.gz OJMJFGJEJAHZIO-HNNXBMFYSA-N 0 0 457.493 4.521 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCc2cc(C(F)(F)F)ccn2)o1 ZINC001361187597 1066512420 /nfs/dbraw/zinc/51/24/20/1066512420.db2.gz XXBQRCQPGLRWCN-UHFFFAOYSA-N 0 0 463.504 4.756 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C[C@@H](C)c2ccc(F)cc2)o1 ZINC001361187648 1066513081 /nfs/dbraw/zinc/51/30/81/1066513081.db2.gz AEFLNXOSPIBBNW-QGZVFWFLSA-N 0 0 453.562 4.532 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@H](C)[C@@H]1c1ccccc1)C2 ZINC001444853595 1066513141 /nfs/dbraw/zinc/51/31/41/1066513141.db2.gz HWAFBSOBPZKGNE-ITSWEJNFSA-N 0 0 452.551 4.590 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCCC[C@](C)(CC)C1OCCO1)OCC3 ZINC001444853424 1066513151 /nfs/dbraw/zinc/51/31/51/1066513151.db2.gz OJWRYZUAIZKGHC-RRPNLBNLSA-N 0 0 456.627 4.984 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001444853796 1066513174 /nfs/dbraw/zinc/51/31/74/1066513174.db2.gz QEJOBISGPHBXCH-IRLDBZIGSA-N 0 0 451.391 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H](F)c2ccc(Br)cc2)o1 ZINC001361187965 1066513206 /nfs/dbraw/zinc/51/32/06/1066513206.db2.gz KCMCQNVSEXKOMD-GOSISDBHSA-N 0 0 473.350 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)C[C@@H]2CSCCS2)C1 ZINC001456117951 1066513621 /nfs/dbraw/zinc/51/36/21/1066513621.db2.gz BHCYRHURZDZYMI-VQTJNVASSA-N 0 0 450.670 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)C[C@@H]2CSCCS2)C1 ZINC001456117962 1066513650 /nfs/dbraw/zinc/51/36/50/1066513650.db2.gz BHCYRHURZDZYMI-WOJBJXKFSA-N 0 0 450.670 4.653 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001456119016 1066513704 /nfs/dbraw/zinc/51/37/04/1066513704.db2.gz OPOSKEPNXHSFTJ-ZWKOTPCHSA-N 0 0 463.456 4.809 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN(C)c3ccccc3)n2Cc2cccc(Br)n2)o1 ZINC001361188217 1066513802 /nfs/dbraw/zinc/51/38/02/1066513802.db2.gz OUUSMOXMWBQRKT-UHFFFAOYSA-N 0 0 481.398 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3)n2C[C@](C)(O)c2ccsc2)o1 ZINC001361188577 1066514054 /nfs/dbraw/zinc/51/40/54/1066514054.db2.gz ULPMZWWEMKBPFF-DEOSSOPVSA-N 0 0 452.580 4.721 20 0 JJADRN Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001361188535 1066514253 /nfs/dbraw/zinc/51/42/53/1066514253.db2.gz KNGCTFMKIYZXGV-IBGZPJMESA-N 0 0 452.667 4.880 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001456122864 1066514627 /nfs/dbraw/zinc/51/46/27/1066514627.db2.gz KYTHSXKFSLCJMM-UHFFFAOYSA-N 0 0 450.226 4.967 20 0 JJADRN Cc1cccc2c(CCC(=O)NC[C@@](O)(c3cccc(C(F)(F)F)c3)C(F)(F)F)c[nH]c21 ZINC001444868799 1066514977 /nfs/dbraw/zinc/51/49/77/1066514977.db2.gz VIIWNNPHDTZZBR-HXUWFJFHSA-N 0 0 458.402 4.994 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(Br)c(Cl)c1 ZINC001456124897 1066515257 /nfs/dbraw/zinc/51/52/57/1066515257.db2.gz MUPPDAUXGGIOKJ-LBPRGKRZSA-N 0 0 454.535 4.772 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)c1 ZINC001444877863 1066515442 /nfs/dbraw/zinc/51/54/42/1066515442.db2.gz DEJKVCZWVUAWMB-OAQYLSRUSA-N 0 0 454.611 4.887 20 0 JJADRN CCCCCc1cc(C(=O)N[C@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)[nH]n1 ZINC001456126952 1066515632 /nfs/dbraw/zinc/51/56/32/1066515632.db2.gz ONHWWPOKGCHQPT-KRWDZBQOSA-N 0 0 456.768 4.593 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 ZINC001546079763 1066515669 /nfs/dbraw/zinc/51/56/69/1066515669.db2.gz SSXUQWONAFZZOU-WOIMOHSLSA-N 0 0 497.684 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361190290 1066515781 /nfs/dbraw/zinc/51/57/81/1066515781.db2.gz HQUADALVUBZHMX-QGZVFWFLSA-N 0 0 487.576 4.662 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001546079784 1066515757 /nfs/dbraw/zinc/51/57/57/1066515757.db2.gz TUIQOZHJPNDDDQ-AREMUKBSSA-N 0 0 485.698 4.997 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)s2)cc1 ZINC001456127407 1066516126 /nfs/dbraw/zinc/51/61/26/1066516126.db2.gz LHBNYNIDKQLUPG-FUHWJXTLSA-N 0 0 459.612 4.940 20 0 JJADRN CC(C)(C(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001456127936 1066516276 /nfs/dbraw/zinc/51/62/76/1066516276.db2.gz YCJOJMHJPLIRPU-YPZXTKLSSA-N 0 0 459.586 4.534 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361190823 1066516244 /nfs/dbraw/zinc/51/62/44/1066516244.db2.gz UVISNAAQJCCBCK-AREMUKBSSA-N 0 0 464.566 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361190717 1066516277 /nfs/dbraw/zinc/51/62/77/1066516277.db2.gz QHNIRCOFBZNMPL-FQEVSTJZSA-N 0 0 499.587 4.900 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)o1 ZINC001361190864 1066516729 /nfs/dbraw/zinc/51/67/29/1066516729.db2.gz AKXYJHVKVXMZNG-NRFANRHFSA-N 0 0 491.558 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCNC(=O)OC(C)(C)C)cc1Br ZINC001361191155 1066517150 /nfs/dbraw/zinc/51/71/50/1066517150.db2.gz HSMFNPJWXVEDKL-UHFFFAOYSA-N 0 0 494.434 4.851 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)C1 ZINC001546079837 1066517208 /nfs/dbraw/zinc/51/72/08/1066517208.db2.gz USRDKDSNRDFZIM-XMMPIXPASA-N 0 0 460.022 4.540 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)C1 ZINC001546079836 1066517219 /nfs/dbraw/zinc/51/72/19/1066517219.db2.gz USRDKDSNRDFZIM-DEOSSOPVSA-N 0 0 460.022 4.540 20 0 JJADRN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O ZINC001444908480 1066517468 /nfs/dbraw/zinc/51/74/68/1066517468.db2.gz VFNJIIYDVXFRSI-TYNCELHUSA-N 0 0 452.407 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)o1 ZINC001361191340 1066517636 /nfs/dbraw/zinc/51/76/36/1066517636.db2.gz PNOAVDQXZCNYEA-UHFFFAOYSA-N 0 0 479.625 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C1 ZINC001456134987 1066518053 /nfs/dbraw/zinc/51/80/53/1066518053.db2.gz CEMSQHNLHIQIEC-IEBWSBKVSA-N 0 0 450.551 4.749 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2Cc2ccn(C)n2)cc1Br ZINC001361191437 1066518071 /nfs/dbraw/zinc/51/80/71/1066518071.db2.gz SYMVJMZVKPCMLW-UHFFFAOYSA-N 0 0 469.387 4.806 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccco3)Cc3cccs3)n2CCC(=O)NC(C)C)o1 ZINC001361191467 1066518319 /nfs/dbraw/zinc/51/83/19/1066518319.db2.gz URLLOALCBBTZAV-UHFFFAOYSA-N 0 0 453.568 4.623 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1 ZINC001456137418 1066518619 /nfs/dbraw/zinc/51/86/19/1066518619.db2.gz LMPDFDYGJKHQTE-QKXOBNEPSA-N 0 0 450.579 4.840 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456135986 1066518675 /nfs/dbraw/zinc/51/86/75/1066518675.db2.gz GLKXPHNAKKCUQG-CIXCFARBSA-N 0 0 452.595 4.894 20 0 JJADRN Cc1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001456139498 1066519160 /nfs/dbraw/zinc/51/91/60/1066519160.db2.gz OAKGIUGUNCQQGP-UHFFFAOYSA-N 0 0 451.548 4.656 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)ncn1 ZINC001456138574 1066519252 /nfs/dbraw/zinc/51/92/52/1066519252.db2.gz PDEACLZKFHWXLE-URXFXBBRSA-N 0 0 450.970 4.598 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1)Oc1ccccc1C ZINC001444934174 1066519297 /nfs/dbraw/zinc/51/92/97/1066519297.db2.gz SOYDSSLNBPBSRA-FQEVSTJZSA-N 0 0 450.510 4.982 20 0 JJADRN CC[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)Oc1ccccc1C ZINC001444935433 1066519530 /nfs/dbraw/zinc/51/95/30/1066519530.db2.gz VNRNTSQYINUITL-IBGZPJMESA-N 0 0 456.539 4.522 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC001361192400 1066519614 /nfs/dbraw/zinc/51/96/14/1066519614.db2.gz KMCARBONSXETOA-CQSZACIVSA-N 0 0 453.812 4.573 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC001444939207 1066519871 /nfs/dbraw/zinc/51/98/71/1066519871.db2.gz XLQJRJOSACHPMB-JOCHJYFZSA-N 0 0 459.631 4.504 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC001444939446 1066520056 /nfs/dbraw/zinc/52/00/56/1066520056.db2.gz QDVUFZFBILXKEU-UHFFFAOYSA-N 0 0 450.560 4.535 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC001361193450 1066520186 /nfs/dbraw/zinc/52/01/86/1066520186.db2.gz VJAODSKBQTZNTP-CQSZACIVSA-N 0 0 459.871 4.533 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCOC(C)C)cc1Br ZINC001361194195 1066520565 /nfs/dbraw/zinc/52/05/65/1066520565.db2.gz HAHLWVBQSOOECO-KRWDZBQOSA-N 0 0 465.436 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC(C)(C)C2CC2)cc1Br ZINC001361194168 1066520696 /nfs/dbraw/zinc/52/06/96/1066520696.db2.gz GDRHTBKXWQOWNU-MRXNPFEDSA-N 0 0 474.447 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)o1 ZINC001361194311 1066520780 /nfs/dbraw/zinc/52/07/80/1066520780.db2.gz JZKMBZQRWOFYAM-UHFFFAOYSA-N 0 0 473.618 4.640 20 0 JJADRN CCN(C(=O)c1cnn2cc(Br)cnc12)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001456144638 1066520773 /nfs/dbraw/zinc/52/07/73/1066520773.db2.gz OJARIUWRXXWKDP-FQEVSTJZSA-N 0 0 453.315 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3cc(Br)ccc3F)n2Cc2ccsc2)o1 ZINC001361194620 1066521081 /nfs/dbraw/zinc/52/10/81/1066521081.db2.gz RWEUEKRMEDAVIZ-UHFFFAOYSA-N 0 0 491.386 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCOc2ncccc2F)cc1Br ZINC001361194721 1066521124 /nfs/dbraw/zinc/52/11/24/1066521124.db2.gz VEHGYKPTHPAFHC-IYBDPMFKSA-N 0 0 474.378 4.721 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)CN(C)c3nc4ccccc4s3)CCCC2)cc1C ZINC001444946730 1066521150 /nfs/dbraw/zinc/52/11/50/1066521150.db2.gz CJCSUCPBHMWAIV-UHFFFAOYSA-N 0 0 450.608 4.665 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2cc(Br)cc(OC(C)C)c2)c1C ZINC001444949206 1066521456 /nfs/dbraw/zinc/52/14/56/1066521456.db2.gz IUAYZQFXAOGGRV-AWEZNQCLSA-N 0 0 452.393 4.861 20 0 JJADRN CC(C)(CNC(=O)c1cc(Br)cn(C2CC2)c1=O)c1c(Cl)cccc1Cl ZINC001456146796 1066521401 /nfs/dbraw/zinc/52/14/01/1066521401.db2.gz JKMHGHPSTNKQSA-UHFFFAOYSA-N 0 0 458.183 4.960 20 0 JJADRN CC(C)(CNC(=O)Cc1ccccc1S(=O)(=O)C(F)F)c1c(Cl)cccc1Cl ZINC001456147286 1066521657 /nfs/dbraw/zinc/52/16/57/1066521657.db2.gz GVTZHIZBMDGBTH-UHFFFAOYSA-N 0 0 450.334 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361195280 1066521627 /nfs/dbraw/zinc/52/16/27/1066521627.db2.gz AKLYBONGZUOMFG-SJCJKPOMSA-N 0 0 490.404 4.791 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC001361195196 1066521669 /nfs/dbraw/zinc/52/16/69/1066521669.db2.gz LMMBIERGOBALDU-ZIAGYGMSSA-N 0 0 458.477 4.763 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001456148240 1066521938 /nfs/dbraw/zinc/52/19/38/1066521938.db2.gz QAXLXBAVAVIRFB-UHFFFAOYSA-N 0 0 458.602 4.909 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc2c(cc1Br)OCO2 ZINC001456148273 1066522034 /nfs/dbraw/zinc/52/20/34/1066522034.db2.gz AWKDYCPQVBLOIE-UHFFFAOYSA-N 0 0 459.321 4.673 20 0 JJADRN CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c2cc(F)ccc21 ZINC001444952924 1066522062 /nfs/dbraw/zinc/52/20/62/1066522062.db2.gz FEFRMNNUMLEZPQ-UHFFFAOYSA-N 0 0 458.287 4.530 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccccc1C(F)(F)F ZINC001456149374 1066522581 /nfs/dbraw/zinc/52/25/81/1066522581.db2.gz VHOHQNZEGWSTGH-QGZVFWFLSA-N 0 0 455.480 4.940 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)on2)c1 ZINC001456149973 1066522998 /nfs/dbraw/zinc/52/29/98/1066522998.db2.gz MPEZBSQNUUGEQL-JOCHJYFZSA-N 0 0 459.974 4.647 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)on2)c1 ZINC001456149974 1066523043 /nfs/dbraw/zinc/52/30/43/1066523043.db2.gz MPEZBSQNUUGEQL-QFIPXVFZSA-N 0 0 459.974 4.647 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC001444960623 1066522953 /nfs/dbraw/zinc/52/29/53/1066522953.db2.gz XTFFDKKCMVWGNF-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)o1 ZINC001361196035 1066522868 /nfs/dbraw/zinc/52/28/68/1066522868.db2.gz JIOGUOGOAAMMEO-DNVCBOLYSA-N 0 0 471.989 4.898 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC001456151056 1066523418 /nfs/dbraw/zinc/52/34/18/1066523418.db2.gz TVEKWUXWQHMSCK-IBGZPJMESA-N 0 0 455.462 4.863 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC001456151058 1066523476 /nfs/dbraw/zinc/52/34/76/1066523476.db2.gz TVEKWUXWQHMSCK-LJQANCHMSA-N 0 0 455.462 4.863 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c(NC(=O)OC(C)(C)C)cnn1C ZINC001456151022 1066523507 /nfs/dbraw/zinc/52/35/07/1066523507.db2.gz UNWKYCTWGAYZMQ-LBPRGKRZSA-N 0 0 459.547 4.829 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCc2ccccc2C(N)=O)c(C(F)(F)F)c1 ZINC001456150179 1066523521 /nfs/dbraw/zinc/52/35/21/1066523521.db2.gz ROUGZCHQIPPDHT-UHFFFAOYSA-N 0 0 451.445 4.723 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCc2cc(Br)ccc2F)o1 ZINC001361196138 1066523596 /nfs/dbraw/zinc/52/35/96/1066523596.db2.gz KSDIZYXQAYEDCO-HNNXBMFYSA-N 0 0 477.378 4.995 20 0 JJADRN COCc1nc(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)c(-c2ccccc2)s1 ZINC001456151570 1066523901 /nfs/dbraw/zinc/52/39/01/1066523901.db2.gz UIGWGNMYXLESDL-OAQYLSRUSA-N 0 0 455.624 4.600 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(CCc1ccc(F)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545971114 1066524409 /nfs/dbraw/zinc/52/44/09/1066524409.db2.gz RTNVNUCOSLOLEM-NRFANRHFSA-N 0 0 494.615 4.994 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1)NC(=O)OC(C)(C)C ZINC001545971083 1066524556 /nfs/dbraw/zinc/52/45/56/1066524556.db2.gz RHOVPMWBWVOAIZ-HXUWFJFHSA-N 0 0 497.619 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H]2CCCS2)cc1Br ZINC001361196689 1066524438 /nfs/dbraw/zinc/52/44/38/1066524438.db2.gz SQSLZOHPDCVVHB-NVXWUHKLSA-N 0 0 465.461 4.915 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(OCCC(=O)NC)cc3)s2)cc1 ZINC001456154265 1066524643 /nfs/dbraw/zinc/52/46/43/1066524643.db2.gz AWBSMICDFMXKES-UHFFFAOYSA-N 0 0 453.564 4.538 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CC(F)(F)F)cc1Br ZINC001361196807 1066524863 /nfs/dbraw/zinc/52/48/63/1066524863.db2.gz UPBAPUZPHXZJIZ-BLLLJJGKSA-N 0 0 459.310 4.582 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001456155990 1066525013 /nfs/dbraw/zinc/52/50/13/1066525013.db2.gz LHFCEUAYWRHQTP-AWEZNQCLSA-N 0 0 451.445 4.529 20 0 JJADRN O=C(NCc1ccccc1Oc1cccc(F)c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001456155827 1066525199 /nfs/dbraw/zinc/52/51/99/1066525199.db2.gz KKJAXIDDSYUGFK-LJQANCHMSA-N 0 0 452.913 4.936 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC001456156493 1066525222 /nfs/dbraw/zinc/52/52/22/1066525222.db2.gz JNBBHEZOSQLOEQ-UHFFFAOYSA-N 0 0 456.539 4.543 20 0 JJADRN C[C@@H](c1ccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)N1CCOCC1 ZINC001456155796 1066525256 /nfs/dbraw/zinc/52/52/56/1066525256.db2.gz KBRWXZDUOZDISD-WMZHIEFXSA-N 0 0 459.631 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361197091 1066525358 /nfs/dbraw/zinc/52/53/58/1066525358.db2.gz XQQGJWXYXHEKOS-QZTJIDSGSA-N 0 0 488.474 4.901 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001444976888 1066525541 /nfs/dbraw/zinc/52/55/41/1066525541.db2.gz VQHNIFPTIIRCLW-AUUYWEPGSA-N 0 0 452.979 4.779 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(F)cn2)cc1Br ZINC001361197345 1066525876 /nfs/dbraw/zinc/52/58/76/1066525876.db2.gz ZJZYLEVUTRLBNV-HNNXBMFYSA-N 0 0 474.378 4.602 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@H](C)c3ncon3)cc12 ZINC001456159811 1066526197 /nfs/dbraw/zinc/52/61/97/1066526197.db2.gz DHRNPDUBZFMMNB-JTQLQIEISA-N 0 0 450.351 4.678 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@H](COc1ccccc1)c1ccccc1 ZINC001456160278 1066526224 /nfs/dbraw/zinc/52/62/24/1066526224.db2.gz AEMQGTRXTPJRRF-OAQYLSRUSA-N 0 0 457.311 4.770 20 0 JJADRN O=C(CCC(=O)N(Cc1ccccc1)CC(F)F)c1ccc(I)cc1 ZINC001444987361 1066526398 /nfs/dbraw/zinc/52/63/98/1066526398.db2.gz RRVORDQVCXQJEN-UHFFFAOYSA-N 0 0 457.258 4.548 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545971280 1066526597 /nfs/dbraw/zinc/52/65/97/1066526597.db2.gz UXMPPCWRSVJAMD-IFMALSPDSA-N 0 0 494.615 4.852 20 0 JJADRN O=C(Cc1ccc(I)cc1)N[C@H](COc1ccccc1)c1ccccc1 ZINC001456162949 1066526617 /nfs/dbraw/zinc/52/66/17/1066526617.db2.gz IOUJCTFIMVMATP-OAQYLSRUSA-N 0 0 457.311 4.770 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361198160 1066526988 /nfs/dbraw/zinc/52/69/88/1066526988.db2.gz KJDBKTDLUJDUPI-LJQANCHMSA-N 0 0 467.589 4.719 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC001444990118 1066527024 /nfs/dbraw/zinc/52/70/24/1066527024.db2.gz RSEBFRAVZZBVQR-IBGZPJMESA-N 0 0 452.580 4.536 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCOc2ccccc2C)o1 ZINC001361198406 1066527326 /nfs/dbraw/zinc/52/73/26/1066527326.db2.gz QNMJGEVKDOBQKO-NRFANRHFSA-N 0 0 479.625 4.611 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=CCC3)n2CCCNC(=O)OC(C)(C)C)cc1Br ZINC001361198350 1066527379 /nfs/dbraw/zinc/52/73/79/1066527379.db2.gz PAEGTZCYACMZGF-UHFFFAOYSA-N 0 0 476.419 4.697 20 0 JJADRN CC(C)c1nc2ccccn2c1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001456169382 1066527480 /nfs/dbraw/zinc/52/74/80/1066527480.db2.gz DKKKBNSVHAVWDU-UHFFFAOYSA-N 0 0 452.511 4.650 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c(C)c1Br ZINC001361198889 1066527677 /nfs/dbraw/zinc/52/76/77/1066527677.db2.gz GRUAWCGCTDXURV-UHFFFAOYSA-N 0 0 458.335 4.548 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)cc12 ZINC001361198996 1066527703 /nfs/dbraw/zinc/52/77/03/1066527703.db2.gz JLOICENTSCIABL-UHFFFAOYSA-N 0 0 459.980 4.764 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)c2cc(Br)c(C)cc2OC)c1 ZINC001456171384 1066527848 /nfs/dbraw/zinc/52/78/48/1066527848.db2.gz HCJKUAUGDVZRAR-UHFFFAOYSA-N 0 0 452.370 4.815 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC001444996844 1066527886 /nfs/dbraw/zinc/52/78/86/1066527886.db2.gz IKCXFSDAYALRTH-IAGOWNOFSA-N 0 0 453.539 4.552 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)CC(=O)NCCC3=CCCCC3)cc12 ZINC001456171626 1066527983 /nfs/dbraw/zinc/52/79/83/1066527983.db2.gz YBIRECDXLJAYNK-UHFFFAOYSA-N 0 0 450.608 4.533 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC(C)(C)C2CC2)cc1Br ZINC001361199323 1066528007 /nfs/dbraw/zinc/52/80/07/1066528007.db2.gz CLSNTMNXLOXXKI-UHFFFAOYSA-N 0 0 474.447 4.544 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)o1 ZINC001361199435 1066528049 /nfs/dbraw/zinc/52/80/49/1066528049.db2.gz DWFUKBUNKWJVBS-NCXUSEDFSA-N 0 0 461.582 4.724 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2NC1=O ZINC001444993904 1066528085 /nfs/dbraw/zinc/52/80/85/1066528085.db2.gz YPJYWLBGSPBKQA-FDDCHVKYSA-N 0 0 459.546 4.878 20 0 JJADRN CC(C)[C@H]1CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCS1 ZINC001444997044 1066528341 /nfs/dbraw/zinc/52/83/41/1066528341.db2.gz ZPZNJGPLZZGVPB-HSALFYBXSA-N 0 0 453.048 4.891 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)CSc1nccn1Cc1ccccc1 ZINC001444997087 1066528391 /nfs/dbraw/zinc/52/83/91/1066528391.db2.gz ZVPUVGOQUBPALX-UHFFFAOYSA-N 0 0 458.425 4.924 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1(C)C ZINC001444997611 1066528562 /nfs/dbraw/zinc/52/85/62/1066528562.db2.gz KLLPXDAQIPISCO-GJZGRUSLSA-N 0 0 450.992 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361199534 1066528616 /nfs/dbraw/zinc/52/86/16/1066528616.db2.gz FXWNSQADXWBBST-WHEQGISXSA-N 0 0 481.519 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361199791 1066528632 /nfs/dbraw/zinc/52/86/32/1066528632.db2.gz IQYKOXMJCKBKHW-UXHICEINSA-N 0 0 457.619 4.976 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC001456175894 1066528827 /nfs/dbraw/zinc/52/88/27/1066528827.db2.gz AKELHDGMJDVISQ-LRDDRELGSA-N 0 0 452.045 4.897 20 0 JJADRN CN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC001445001375 1066528942 /nfs/dbraw/zinc/52/89/42/1066528942.db2.gz WUOYOHLMYJGWSI-UHFFFAOYSA-N 0 0 458.377 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccsc2)o1 ZINC001361199853 1066528924 /nfs/dbraw/zinc/52/89/24/1066528924.db2.gz JMJRUTBDYQDOAN-AEFFLSMTSA-N 0 0 457.600 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCN(C)c2ccccc2)o1 ZINC001361199797 1066528938 /nfs/dbraw/zinc/52/89/38/1066528938.db2.gz IWJXLVLAFOSDBB-LEWJYISDSA-N 0 0 494.640 4.722 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccsc2)o1 ZINC001361199858 1066529003 /nfs/dbraw/zinc/52/90/03/1066529003.db2.gz JMJRUTBDYQDOAN-WMZOPIPTSA-N 0 0 457.600 4.696 20 0 JJADRN COc1cc(CC(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc(OC)c1O ZINC001444999953 1066529105 /nfs/dbraw/zinc/52/91/05/1066529105.db2.gz MFVSCYNGBRGRBS-HSZRJFAPSA-N 0 0 459.514 4.858 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ccc(Cc3nnc[nH]3)cc2)c2cc(F)ccc2F)c1 ZINC001445007125 1066529501 /nfs/dbraw/zinc/52/95/01/1066529501.db2.gz UIOSITXTRFBTBO-QHCPKHFHSA-N 0 0 450.514 4.915 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C1 ZINC001445008003 1066529637 /nfs/dbraw/zinc/52/96/37/1066529637.db2.gz JKQOASUDSGNOCO-MSOLQXFVSA-N 0 0 456.549 4.791 20 0 JJADRN Cc1cc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)n(C2CCOCC2)n1 ZINC001456178955 1066530517 /nfs/dbraw/zinc/53/05/17/1066530517.db2.gz RQSKZFMWKKKQDI-KRWDZBQOSA-N 0 0 450.402 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CC[C@H](CSc4ccccc4)C3)nc2C1 ZINC001445024295 1066530510 /nfs/dbraw/zinc/53/05/10/1066530510.db2.gz DZUOVVGLYRQPDO-SFHVURJKSA-N 0 0 453.608 4.629 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc3ccccc32)C1 ZINC001445028799 1066530920 /nfs/dbraw/zinc/53/09/20/1066530920.db2.gz AACQHNFNIMPZDY-PKOBYXMFSA-N 0 0 450.501 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCS2)o1 ZINC001361200516 1066530928 /nfs/dbraw/zinc/53/09/28/1066530928.db2.gz YOOSZPRDESWMPM-QYZOEREBSA-N 0 0 475.659 4.872 20 0 JJADRN COc1c(N)c(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(Cl)c1Br ZINC001445034679 1066531117 /nfs/dbraw/zinc/53/11/17/1066531117.db2.gz QSXUZOOVWACGOE-LBPRGKRZSA-N 0 0 455.805 4.948 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001361201860 1066531741 /nfs/dbraw/zinc/53/17/41/1066531741.db2.gz BWCSTDWTODWSPO-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C3)n2C[C@](C)(O)c2cccs2)cc1Br ZINC001361201745 1066532001 /nfs/dbraw/zinc/53/20/01/1066532001.db2.gz ILCMJUIALZUMFP-QKKBWIMNSA-N 0 0 461.429 4.831 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCc3ccc(Br)cc32)cc1I ZINC001456186017 1066532399 /nfs/dbraw/zinc/53/23/99/1066532399.db2.gz DUPKWOOZTBLARX-UHFFFAOYSA-N 0 0 456.121 4.873 20 0 JJADRN COc1ccccc1CCN(C)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001456185285 1066532533 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OJDSJBKXICZDCO-GJZGRUSLSA-N 0 0 452.498 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CCOCC(F)F)o1 ZINC001361203945 1066533833 /nfs/dbraw/zinc/53/38/33/1066533833.db2.gz GRUZFAOPPIECCB-UHFFFAOYSA-N 0 0 497.587 4.602 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)o1 ZINC001361204044 1066534156 /nfs/dbraw/zinc/53/41/56/1066534156.db2.gz KDBKFIZPOFSPHZ-KRWDZBQOSA-N 0 0 457.600 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)o1 ZINC001361204241 1066534645 /nfs/dbraw/zinc/53/46/45/1066534645.db2.gz QGOUCWAGIJCKRP-UHFFFAOYSA-N 0 0 471.524 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4nccs4)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361204225 1066534681 /nfs/dbraw/zinc/53/46/81/1066534681.db2.gz QDUMFVMHLYFYSG-INIZCTEOSA-N 0 0 486.642 4.848 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCc2c(F)cc(O)cc2F)c1 ZINC001456196851 1066534693 /nfs/dbraw/zinc/53/46/93/1066534693.db2.gz VOIUHZQZBSNCGR-UHFFFAOYSA-N 0 0 451.448 4.943 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1 ZINC001445055239 1066534823 /nfs/dbraw/zinc/53/48/23/1066534823.db2.gz QCWTURFBSRLNAV-UWJYYQICSA-N 0 0 452.576 4.684 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C4CC4)C3)n2CCCOC(F)F)cc1Br ZINC001361204416 1066535065 /nfs/dbraw/zinc/53/50/65/1066535065.db2.gz WDUCJJALHLJITM-INIZCTEOSA-N 0 0 455.347 4.882 20 0 JJADRN COC(=O)c1ccc(OCCNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)cc1 ZINC001456198093 1066535311 /nfs/dbraw/zinc/53/53/11/1066535311.db2.gz VWOGZSAAJWDJJE-UHFFFAOYSA-N 0 0 456.498 4.912 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(F)c(Br)c2)cc1Cl ZINC001445057824 1066535255 /nfs/dbraw/zinc/53/52/55/1066535255.db2.gz UMNXYXRFINBSBE-UHFFFAOYSA-N 0 0 455.740 4.862 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(F)c(Br)c2)cc1OC ZINC001445058767 1066535295 /nfs/dbraw/zinc/53/52/95/1066535295.db2.gz WGSMGCGFQSPSBY-UHFFFAOYSA-N 0 0 453.308 4.842 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1ccc(Br)cc1F ZINC001456197890 1066535355 /nfs/dbraw/zinc/53/53/55/1066535355.db2.gz UDVMUYBKPWSUNX-LPHOPBHVSA-N 0 0 455.165 4.987 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCS2)o1 ZINC001361205185 1066536475 /nfs/dbraw/zinc/53/64/75/1066536475.db2.gz DYWYSRGEDDTWIY-LJQANCHMSA-N 0 0 475.659 4.825 20 0 JJADRN C[C@@H](C(=O)N1CC(OCCCc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445079342 1066536717 /nfs/dbraw/zinc/53/67/17/1066536717.db2.gz MIJDFQTVSYSWBK-HYBUGGRVSA-N 0 0 452.595 4.749 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1(C)C ZINC001445077954 1066536796 /nfs/dbraw/zinc/53/67/96/1066536796.db2.gz BFOZKVAAWZDSMR-UHFFFAOYSA-N 0 0 451.386 4.511 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)COc3ccc(Cl)c4ccccc34)CC2)cc1 ZINC001445077905 1066536964 /nfs/dbraw/zinc/53/69/64/1066536964.db2.gz AGJSGHLWPAIFQR-UHFFFAOYSA-N 0 0 450.966 4.735 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](COc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361205575 1066537427 /nfs/dbraw/zinc/53/74/27/1066537427.db2.gz LXUQZXFHHZHZER-OAHLLOKOSA-N 0 0 467.314 4.740 20 0 JJADRN COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)cc2)cc1 ZINC001456209260 1066538078 /nfs/dbraw/zinc/53/80/78/1066538078.db2.gz DQQJIIGTLSKYLX-JOCHJYFZSA-N 0 0 459.546 4.554 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1cc(Br)c(F)cc1F ZINC001456209390 1066538175 /nfs/dbraw/zinc/53/81/75/1066538175.db2.gz GVQJRNZCRHADDH-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1-n1cccn1 ZINC001456208773 1066538205 /nfs/dbraw/zinc/53/82/05/1066538205.db2.gz YBACDHYAHWLSKR-UHFFFAOYSA-N 0 0 450.514 4.629 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)o1 ZINC001361206376 1066538417 /nfs/dbraw/zinc/53/84/17/1066538417.db2.gz LALURIKMGRNMLG-DYVFJYSZSA-N 0 0 454.386 4.621 20 0 JJADRN C[C@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445087666 1066538621 /nfs/dbraw/zinc/53/86/21/1066538621.db2.gz FZNFZJOOTZKCCB-PVGUKEHMSA-N 0 0 454.439 4.993 20 0 JJADRN COCCCOC1CN(C(=O)c2ccccc2SCc2ccc(Br)cc2)C1 ZINC001445087654 1066538625 /nfs/dbraw/zinc/53/86/25/1066538625.db2.gz IFTJYBWOSHKFBX-UHFFFAOYSA-N 0 0 450.398 4.619 20 0 JJADRN C[C@@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445087662 1066538660 /nfs/dbraw/zinc/53/86/60/1066538660.db2.gz FZNFZJOOTZKCCB-FAPYRAKZSA-N 0 0 454.439 4.993 20 0 JJADRN COC[C@H](NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 ZINC001361206423 1066538754 /nfs/dbraw/zinc/53/87/54/1066538754.db2.gz MKQNODQDFYMGNM-DMSZASBDSA-N 0 0 454.498 4.535 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361207004 1066538880 /nfs/dbraw/zinc/53/88/80/1066538880.db2.gz FPKARBNNSCNSFH-OAQYLSRUSA-N 0 0 483.588 4.982 20 0 JJADRN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(Br)ccc1Br ZINC001456215317 1066538962 /nfs/dbraw/zinc/53/89/62/1066538962.db2.gz SGKUUZREKLCWEN-UHFFFAOYSA-N 0 0 456.109 4.730 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361207090 1066539145 /nfs/dbraw/zinc/53/91/45/1066539145.db2.gz IIRKFAZSPHWEDQ-GOSISDBHSA-N 0 0 486.642 4.608 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2cccnc2)C(C)C)o1 ZINC001361207013 1066539336 /nfs/dbraw/zinc/53/93/36/1066539336.db2.gz FVVYHPAGKHYQHC-NHCUHLMSSA-N 0 0 480.613 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361207152 1066539638 /nfs/dbraw/zinc/53/96/38/1066539638.db2.gz LBCDRLHMYFGJCC-SFHVURJKSA-N 0 0 473.524 4.619 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2CCCCOC(C)C)o1 ZINC001361207198 1066539656 /nfs/dbraw/zinc/53/96/56/1066539656.db2.gz MUFMAQRDXICZPK-OAQYLSRUSA-N 0 0 484.576 4.591 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2cccc(F)c2)o1 ZINC001361207328 1066540023 /nfs/dbraw/zinc/54/00/23/1066540023.db2.gz QBJPVJRKBRUGPX-AZUAARDMSA-N 0 0 499.587 4.899 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(OC2CCOCC2)cc1 ZINC001456222232 1066540354 /nfs/dbraw/zinc/54/03/54/1066540354.db2.gz GNHOCINGLHJJBQ-UHFFFAOYSA-N 0 0 457.592 4.744 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccnn1CCc1ccccc1 ZINC001456223366 1066540425 /nfs/dbraw/zinc/54/04/25/1066540425.db2.gz IIAYESFGFAHOFM-UHFFFAOYSA-N 0 0 451.592 4.626 20 0 JJADRN COc1cccc(C2(CNC(=O)[C@@H](C)SCc3nc4ccccc4c(=O)[nH]3)CCCC2)c1 ZINC001456222279 1066540519 /nfs/dbraw/zinc/54/05/19/1066540519.db2.gz GWRKYURAXURHLG-QGZVFWFLSA-N 0 0 451.592 4.594 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2CC2)cc1Br ZINC001361207626 1066540535 /nfs/dbraw/zinc/54/05/35/1066540535.db2.gz WTPFRDDBKWPFKF-KRWDZBQOSA-N 0 0 476.419 4.529 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)o1 ZINC001361207561 1066540577 /nfs/dbraw/zinc/54/05/77/1066540577.db2.gz VMEXVVWZFVUBMF-HXUWFJFHSA-N 0 0 451.571 4.649 20 0 JJADRN Cc1ccc(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)[C@H](C)C2)cc1C ZINC001445146611 1066540813 /nfs/dbraw/zinc/54/08/13/1066540813.db2.gz BDIWHIQKCOUGKM-FXXYKOEOSA-N 0 0 455.643 4.909 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(CCc3ccccc3)ccn2)Cc2ccccc2C1 ZINC001361208079 1066540932 /nfs/dbraw/zinc/54/09/32/1066540932.db2.gz KPLXGCIXNDQWSX-UHFFFAOYSA-N 0 0 457.574 4.868 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)Cc2cccs2)o1 ZINC001361207799 1066540959 /nfs/dbraw/zinc/54/09/59/1066540959.db2.gz YYMXVMLKXRZNLL-QGZVFWFLSA-N 0 0 455.628 4.528 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1cc(CCc2ccccc2)ccn1 ZINC001361207941 1066540974 /nfs/dbraw/zinc/54/09/74/1066540974.db2.gz IBLACAOQPXFMAL-IBGZPJMESA-N 0 0 450.336 4.694 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NC1CC(Cl)(Cl)C1 ZINC001456229626 1066541096 /nfs/dbraw/zinc/54/10/96/1066541096.db2.gz LMWMETKYFWENAV-UHFFFAOYSA-N 0 0 451.354 4.618 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001456233183 1066541275 /nfs/dbraw/zinc/54/12/75/1066541275.db2.gz DKVUVHWMGOSIBT-HKUYNNGSSA-N 0 0 453.574 4.722 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)c3cc(Br)ccc3OC(F)F)cc2)no1 ZINC001456229228 1066541312 /nfs/dbraw/zinc/54/13/12/1066541312.db2.gz LGPLJZORPJHQCS-UHFFFAOYSA-N 0 0 454.227 4.573 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3[nH]c4c(cccc4Cl)c3C)CCCC2)cc1OC ZINC001445165389 1066541635 /nfs/dbraw/zinc/54/16/35/1066541635.db2.gz SQVTVDLVMFFMRU-UHFFFAOYSA-N 0 0 455.942 4.828 20 0 JJADRN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001456236594 1066541671 /nfs/dbraw/zinc/54/16/71/1066541671.db2.gz WGRHFZAVADXIBV-UHFFFAOYSA-N 0 0 458.271 4.941 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445164696 1066541749 /nfs/dbraw/zinc/54/17/49/1066541749.db2.gz PKZMMLBHHJOFRE-OALUTQOASA-N 0 0 452.576 4.808 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)OC ZINC001545972389 1066541936 /nfs/dbraw/zinc/54/19/36/1066541936.db2.gz FGWFIHIRHRUQKJ-IBGZPJMESA-N 0 0 496.965 4.707 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1Cl)NC(=O)OC(C)(C)C ZINC001545972406 1066542222 /nfs/dbraw/zinc/54/22/22/1066542222.db2.gz FNOLDFTWVCQUAU-LJQANCHMSA-N 0 0 471.005 4.933 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cnn(CC)c2Br)cc1 ZINC001456238862 1066542253 /nfs/dbraw/zinc/54/22/53/1066542253.db2.gz FAXXPEQUZZWCAH-OALUTQOASA-N 0 0 450.377 4.574 20 0 JJADRN COC[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001456239676 1066542725 /nfs/dbraw/zinc/54/27/25/1066542725.db2.gz BUUUQNMFFHEUJV-RDJZCZTQSA-N 0 0 458.274 4.838 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361209416 1066542831 /nfs/dbraw/zinc/54/28/31/1066542831.db2.gz WRNKTVKUCNMSFO-UHFFFAOYSA-N 0 0 473.618 4.547 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(C)n1Cc1ccccc1 ZINC001445171523 1066542901 /nfs/dbraw/zinc/54/29/01/1066542901.db2.gz FHTYFNADRMIOAV-FQEVSTJZSA-N 0 0 455.480 4.707 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC001456241182 1066543285 /nfs/dbraw/zinc/54/32/85/1066543285.db2.gz KBEUMFVEWJFMFK-UODIDJSMSA-N 0 0 452.595 4.858 20 0 JJADRN O=C(C[C@H]1COc2ccccc2O1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241399 1066543320 /nfs/dbraw/zinc/54/33/20/1066543320.db2.gz BOBULWOLDMBCPT-HNNXBMFYSA-N 0 0 458.301 4.809 20 0 JJADRN COc1cc(CCC(=O)N2CCC(Oc3ccc(C)cc3)CC2)ccc1OCC(F)(F)F ZINC001456241423 1066543350 /nfs/dbraw/zinc/54/33/50/1066543350.db2.gz QIYNJDYTWOOXCJ-UHFFFAOYSA-N 0 0 451.485 4.947 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC001445175742 1066543449 /nfs/dbraw/zinc/54/34/49/1066543449.db2.gz ITTVGRYXWDNQAC-UHFFFAOYSA-N 0 0 452.599 4.945 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361210458 1066543713 /nfs/dbraw/zinc/54/37/13/1066543713.db2.gz KZUXOOMORLMGEK-UHFFFAOYSA-N 0 0 469.561 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cc(OCC(C)(C)F)ccc4C3)n2CCC(C)(C)O)o1 ZINC001361210212 1066543744 /nfs/dbraw/zinc/54/37/44/1066543744.db2.gz DPBOUSYANSVBQL-UHFFFAOYSA-N 0 0 456.562 4.697 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)Oc2cccc(F)c2)o1 ZINC001361210234 1066543775 /nfs/dbraw/zinc/54/37/75/1066543775.db2.gz FGQRPHBHOFGTDM-OAHLLOKOSA-N 0 0 461.335 4.942 20 0 JJADRN COC[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1cccc(C(F)(F)F)c1 ZINC001456241759 1066543634 /nfs/dbraw/zinc/54/36/34/1066543634.db2.gz HFBHDBQTFPIGBM-OAHLLOKOSA-N 0 0 452.217 4.793 20 0 JJADRN CCc1cnccc1NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001456243095 1066543812 /nfs/dbraw/zinc/54/38/12/1066543812.db2.gz LUTRLDJWDXTSPN-CQSZACIVSA-N 0 0 450.589 4.704 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC001445178278 1066543630 /nfs/dbraw/zinc/54/36/30/1066543630.db2.gz KLZCQADJCMBOGL-UHFFFAOYSA-N 0 0 455.368 4.840 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445177382 1066543685 /nfs/dbraw/zinc/54/36/85/1066543685.db2.gz JOKGQUKMSSHRQK-CMJOXMDJSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccccc2)c2cccs2)nnn1CCOc1ccc(F)cc1 ZINC001456244089 1066544167 /nfs/dbraw/zinc/54/41/67/1066544167.db2.gz CGOKJUSDHMWOCY-OAQYLSRUSA-N 0 0 450.539 4.580 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2CCCN(C)CC(F)(F)F)o1 ZINC001361210570 1066544190 /nfs/dbraw/zinc/54/41/90/1066544190.db2.gz OLFYQRYCCPTWFG-MAUKXSAKSA-N 0 0 480.362 4.751 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CCCOC2)cc1Br ZINC001361210495 1066544216 /nfs/dbraw/zinc/54/42/16/1066544216.db2.gz LXCRFJKWYODBIS-HNNXBMFYSA-N 0 0 496.247 4.932 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)nnn1CCOc1ccc(F)cc1 ZINC001456244064 1066544215 /nfs/dbraw/zinc/54/42/15/1066544215.db2.gz CGOKJUSDHMWOCY-NRFANRHFSA-N 0 0 450.539 4.580 20 0 JJADRN CN(C)c1cc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC001445189341 1066544431 /nfs/dbraw/zinc/54/44/31/1066544431.db2.gz VNBFCUGDWBNAIG-UHFFFAOYSA-N 0 0 452.599 4.553 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4ccc(Cl)nc4C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361210756 1066544557 /nfs/dbraw/zinc/54/45/57/1066544557.db2.gz UCEAGFLTCMFJSD-UHFFFAOYSA-N 0 0 487.004 4.763 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545972560 1066544684 /nfs/dbraw/zinc/54/46/84/1066544684.db2.gz IFBHMMZCDDTAMW-JTHBVZDNSA-N 0 0 492.624 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(Cc2ccc(Cl)cc2)C1)c1c(F)cccc1F ZINC001445194045 1066544882 /nfs/dbraw/zinc/54/48/82/1066544882.db2.gz RHDYIMFVHYHWBC-FQEVSTJZSA-N 0 0 450.913 4.885 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@H]43)n2CCSCCCO)cc1Br ZINC001361211175 1066545012 /nfs/dbraw/zinc/54/50/12/1066545012.db2.gz YTBDIXRPZLGPPH-QFBILLFUSA-N 0 0 465.461 4.510 20 0 JJADRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001456247241 1066545136 /nfs/dbraw/zinc/54/51/36/1066545136.db2.gz CTFAESJSVWNRCC-GOSISDBHSA-N 0 0 450.533 4.834 20 0 JJADRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)C1 ZINC001445210079 1066545222 /nfs/dbraw/zinc/54/52/22/1066545222.db2.gz PZRDDWXARLSSMQ-LHOHCCBWSA-N 0 0 450.029 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)OCc2cccc(OC(F)(F)F)c2)(C(F)(F)F)C1 ZINC001361211646 1066545508 /nfs/dbraw/zinc/54/55/08/1066545508.db2.gz WGLVNWJFSGOSPX-KRWDZBQOSA-N 0 0 457.367 4.818 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1cnn(CC(F)(F)F)c1 ZINC001456248256 1066545780 /nfs/dbraw/zinc/54/57/80/1066545780.db2.gz PPWXNDCBHQMFAZ-UHFFFAOYSA-N 0 0 454.478 4.533 20 0 JJADRN O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001445214498 1066545708 /nfs/dbraw/zinc/54/57/08/1066545708.db2.gz GJLGHIXWWPZCSU-UHFFFAOYSA-N 0 0 454.379 4.605 20 0 JJADRN O=C(Nc1cc(Cl)ccc1NC1CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001445214343 1066545773 /nfs/dbraw/zinc/54/57/73/1066545773.db2.gz FUCHCIZLLKFJHF-UHFFFAOYSA-N 0 0 455.967 4.645 20 0 JJADRN O=C(Nc1cc(Br)ccc1NC1CC1)c1cc(Br)cn2ccnc12 ZINC001445214945 1066545802 /nfs/dbraw/zinc/54/58/02/1066545802.db2.gz HNJLPZMCMKYMDL-UHFFFAOYSA-N 0 0 450.134 4.686 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001456250154 1066546033 /nfs/dbraw/zinc/54/60/33/1066546033.db2.gz UEIRGWXCELOAMQ-ZLKNRPIFSA-N 0 0 450.560 4.694 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(Oc3ccccc3Cl)cc1)CC2 ZINC001456249073 1066546060 /nfs/dbraw/zinc/54/60/60/1066546060.db2.gz KUCBUDZCKIMCOS-UHFFFAOYSA-N 0 0 456.951 4.586 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@@H](c3ccncc3)C3CCCCC3)CC2)cs1 ZINC001445218733 1066546080 /nfs/dbraw/zinc/54/60/80/1066546080.db2.gz XCMWRRMTOIZCNG-WMZHIEFXSA-N 0 0 456.656 4.644 20 0 JJADRN O=C(Nc1cc(Br)ccc1NC1CC1)[C@@H]1COc2ccc(Br)cc21 ZINC001445216471 1066546142 /nfs/dbraw/zinc/54/61/42/1066546142.db2.gz LQKBZGRJCJDOFD-CQSZACIVSA-N 0 0 452.146 4.901 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1)C(C)C ZINC001456249031 1066546187 /nfs/dbraw/zinc/54/61/87/1066546187.db2.gz NBECPBDFSJZOKO-UHFFFAOYSA-N 0 0 453.764 4.877 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361212087 1066546437 /nfs/dbraw/zinc/54/64/37/1066546437.db2.gz GVSXDZLYRZXYCU-LEWJYISDSA-N 0 0 487.645 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCCC2(C)C)cc1Br ZINC001361212182 1066546995 /nfs/dbraw/zinc/54/69/95/1066546995.db2.gz ISVWHYDYWFVHJO-PKOBYXMFSA-N 0 0 488.474 4.934 20 0 JJADRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC001456254726 1066547521 /nfs/dbraw/zinc/54/75/21/1066547521.db2.gz JNAHEQXZIFEHBS-SFHVURJKSA-N 0 0 453.489 4.658 20 0 JJADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001456255484 1066547883 /nfs/dbraw/zinc/54/78/83/1066547883.db2.gz RYUUIHFAFXOZQE-GOSISDBHSA-N 0 0 452.889 4.870 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC001456255695 1066547902 /nfs/dbraw/zinc/54/79/02/1066547902.db2.gz VQPRFMGDYXMMSS-GOSISDBHSA-N 0 0 457.423 4.775 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccc(C)c3C)c2)cc1 ZINC001456255058 1066547935 /nfs/dbraw/zinc/54/79/35/1066547935.db2.gz LVVLWSYVSFGOBC-IBGZPJMESA-N 0 0 452.576 4.628 20 0 JJADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001456255486 1066548027 /nfs/dbraw/zinc/54/80/27/1066548027.db2.gz RYUUIHFAFXOZQE-SFHVURJKSA-N 0 0 452.889 4.870 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445230826 1066548066 /nfs/dbraw/zinc/54/80/66/1066548066.db2.gz FUIHWUQSSOLXMP-GUYCJALGSA-N 0 0 455.769 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ccc3[nH]c(CC4CCCCC4)nc3c2)C1 ZINC001445230556 1066548102 /nfs/dbraw/zinc/54/81/02/1066548102.db2.gz DGQLDTNFEJRUKX-LJQANCHMSA-N 0 0 456.587 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOc2ccccc2C)o1 ZINC001361213772 1066548684 /nfs/dbraw/zinc/54/86/84/1066548684.db2.gz AMFBFYZNSFURAA-HXUWFJFHSA-N 0 0 481.597 4.727 20 0 JJADRN CCCCc1nc(C)c(CC(=O)Nc2cc(F)c(F)cc2I)s1 ZINC001361213663 1066548712 /nfs/dbraw/zinc/54/87/12/1066548712.db2.gz WYJWQMYPJHWBLJ-UHFFFAOYSA-N 0 0 450.292 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[C@H]2CCCCO2)o1 ZINC001361213776 1066548747 /nfs/dbraw/zinc/54/87/47/1066548747.db2.gz AOASMSJMXDQLGC-QZTJIDSGSA-N 0 0 456.509 4.744 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)NCCCc1ccc(Br)cc1F ZINC001456262217 1066548870 /nfs/dbraw/zinc/54/88/70/1066548870.db2.gz CKCYFWCCSLNTNR-UHFFFAOYSA-N 0 0 457.343 4.854 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001445250517 1066548937 /nfs/dbraw/zinc/54/89/37/1066548937.db2.gz YWIXAJWOEHKKPN-HXUWFJFHSA-N 0 0 453.336 4.828 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCc2ccc(Cl)s2)o1 ZINC001361213875 1066549050 /nfs/dbraw/zinc/54/90/50/1066549050.db2.gz CQLAOCLGWMMGSN-KRWDZBQOSA-N 0 0 476.046 4.793 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361213889 1066549295 /nfs/dbraw/zinc/54/92/95/1066549295.db2.gz CWBFCFVUPAHNFA-FQEVSTJZSA-N 0 0 496.612 4.571 20 0 JJADRN COCCc1nc2cc(NC(=O)[C@@H]3Cc4c(cccc4C)N3C(=O)OC(C)(C)C)ccc2o1 ZINC001445260317 1066549535 /nfs/dbraw/zinc/54/95/35/1066549535.db2.gz GZXSFAYJJRQPEP-FQEVSTJZSA-N 0 0 451.523 4.630 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973149 1066549662 /nfs/dbraw/zinc/54/96/62/1066549662.db2.gz TVCZRBBJSMLZNW-RBBKRZOGSA-N 0 0 492.624 4.549 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)c1ccc(I)c(Br)c1)CCC2 ZINC001456265595 1066549830 /nfs/dbraw/zinc/54/98/30/1066549830.db2.gz HDEVRKOFTZREDZ-UHFFFAOYSA-N 0 0 456.121 4.955 20 0 JJADRN CO[C@H](C)c1nc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cs1 ZINC001445266492 1066550155 /nfs/dbraw/zinc/55/01/55/1066550155.db2.gz CUYSMXLJWQHVRJ-CYBMUJFWSA-N 0 0 453.395 4.819 20 0 JJADRN CC[C@@]1(C(=O)NCCCc2ccc(Br)cc2F)CCN(C(=O)OC(C)(C)C)C1 ZINC001456268849 1066550574 /nfs/dbraw/zinc/55/05/74/1066550574.db2.gz UMEOVVGQJKBOSZ-OAQYLSRUSA-N 0 0 457.384 4.674 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[C@](C)(O)c2ccccc2)o1 ZINC001361214596 1066550735 /nfs/dbraw/zinc/55/07/35/1066550735.db2.gz SKUSJUGFZAURFX-CVDCTZTESA-N 0 0 478.515 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361214539 1066550803 /nfs/dbraw/zinc/55/08/03/1066550803.db2.gz RLLGMLCSNARAJH-SJLPKXTDSA-N 0 0 461.607 4.544 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)n2CCSC(C)C)o1 ZINC001361214484 1066550829 /nfs/dbraw/zinc/55/08/29/1066550829.db2.gz QLGKVYIHZZUNDA-HXUWFJFHSA-N 0 0 467.639 4.635 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)o1 ZINC001361214608 1066551151 /nfs/dbraw/zinc/55/11/51/1066551151.db2.gz SSXMBKDSTOMNAA-WMZOPIPTSA-N 0 0 486.642 4.942 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC001445271093 1066551458 /nfs/dbraw/zinc/55/14/58/1066551458.db2.gz KCNKCEWWTHBKMF-JOCHJYFZSA-N 0 0 458.562 4.529 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2F)o1 ZINC001361214850 1066551609 /nfs/dbraw/zinc/55/16/09/1066551609.db2.gz YSBZEPCJQUBUHM-MOPGFXCFSA-N 0 0 483.588 4.584 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(Br)c(SC)c1 ZINC001456272629 1066551689 /nfs/dbraw/zinc/55/16/89/1066551689.db2.gz DUSJEECGAFXJIT-UHFFFAOYSA-N 0 0 452.414 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCOC2CCCCC2)o1 ZINC001361214814 1066551753 /nfs/dbraw/zinc/55/17/53/1066551753.db2.gz XYBAGFBUPFLDBO-HXUWFJFHSA-N 0 0 471.646 4.717 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)s2)cc1OC ZINC001445277436 1066551752 /nfs/dbraw/zinc/55/17/52/1066551752.db2.gz SOAGLUTXHMJAMQ-SJORKVTESA-N 0 0 458.605 4.926 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)s2)cc1OC ZINC001445277425 1066551873 /nfs/dbraw/zinc/55/18/73/1066551873.db2.gz SOAGLUTXHMJAMQ-DLBZAZTESA-N 0 0 458.605 4.926 20 0 JJADRN Cn1nc(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)cc1OC(F)F ZINC001456271378 1066551894 /nfs/dbraw/zinc/55/18/94/1066551894.db2.gz QSEDRIZSFUDQHY-UHFFFAOYSA-N 0 0 452.255 4.506 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(F)cc2I)c(C)n1C[C@@H]1CCCOC1 ZINC001445277969 1066552210 /nfs/dbraw/zinc/55/22/10/1066552210.db2.gz YNXBTEQFTCBUIV-AWEZNQCLSA-N 0 0 456.299 4.528 20 0 JJADRN O=C(C[C@@H]1CCCCCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccccc1 ZINC001445278222 1066552386 /nfs/dbraw/zinc/55/23/86/1066552386.db2.gz UJBNDUJRLRUIMM-FQEVSTJZSA-N 0 0 456.970 4.951 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973244 1066552397 /nfs/dbraw/zinc/55/23/97/1066552397.db2.gz VFOCPVUXWVSOLW-FGZHOGPDSA-N 0 0 462.598 4.985 20 0 JJADRN CCC(=O)N1CCc2ccc(NC(=O)c3cccc(Nc4nccc(C(F)(F)F)n4)c3)cc21 ZINC001456273815 1066552368 /nfs/dbraw/zinc/55/23/68/1066552368.db2.gz AYRSRIWICLUEIW-UHFFFAOYSA-N 0 0 455.440 4.790 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(Br)cc(C)c43)cc2C1=O ZINC001361216210 1066552435 /nfs/dbraw/zinc/55/24/35/1066552435.db2.gz ZPBJTCWTHYLDHY-UHFFFAOYSA-N 0 0 455.352 4.747 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001361216291 1066552535 /nfs/dbraw/zinc/55/25/35/1066552535.db2.gz NLCZGPHSQHKEPA-ZUOKHONESA-N 0 0 452.979 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361217160 1066552569 /nfs/dbraw/zinc/55/25/69/1066552569.db2.gz HIXFXWPWJUXLJI-AOMKIAJQSA-N 0 0 491.455 4.600 20 0 JJADRN CC1(C)C[C@@H](CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)O1 ZINC001456274669 1066552804 /nfs/dbraw/zinc/55/28/04/1066552804.db2.gz PMVWWBQMZQUHCK-SFHVURJKSA-N 0 0 450.579 4.625 20 0 JJADRN O=C(NCCc1ccc(F)cc1F)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001456275262 1066552894 /nfs/dbraw/zinc/55/28/94/1066552894.db2.gz CVEASQGMKMFEQV-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(-c3ccccc3C)nn2C)cc1Cl ZINC001445282550 1066552769 /nfs/dbraw/zinc/55/27/69/1066552769.db2.gz MXLGEKBDHCOZJE-UHFFFAOYSA-N 0 0 452.971 4.669 20 0 JJADRN Cc1c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cnn1-c1ccccc1F ZINC001361217298 1066553087 /nfs/dbraw/zinc/55/30/87/1066553087.db2.gz GGBNSQFSSSKHAX-UHFFFAOYSA-N 0 0 450.695 4.775 20 0 JJADRN O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CC[C@H](C(F)(F)F)C1 ZINC001456275670 1066553202 /nfs/dbraw/zinc/55/32/02/1066553202.db2.gz GOQUQRCFWWJFSL-ZDUSSCGKSA-N 0 0 453.511 4.708 20 0 JJADRN COc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)ccc1Br ZINC001456275602 1066553267 /nfs/dbraw/zinc/55/32/67/1066553267.db2.gz FRLCWFGQTIUTBY-KRWDZBQOSA-N 0 0 455.393 4.661 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)/C(=C/c3ccc(O)c(OC)c3)c3ccccc3)on2)c1 ZINC001456276998 1066553387 /nfs/dbraw/zinc/55/33/87/1066553387.db2.gz PLJLCOSLZFYNAE-YDZHTSKRSA-N 0 0 456.498 4.921 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CC(=O)N(C)C)cc1Br ZINC001361217539 1066553487 /nfs/dbraw/zinc/55/34/87/1066553487.db2.gz DXTIOMKFDBCYHW-SFHVURJKSA-N 0 0 474.428 4.507 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)cc1OC ZINC001456278666 1066553740 /nfs/dbraw/zinc/55/37/40/1066553740.db2.gz XYNZLZYIZRAIIB-KRWDZBQOSA-N 0 0 453.505 4.524 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)Cc1cc(Br)ccc1Cl ZINC001456277404 1066553854 /nfs/dbraw/zinc/55/38/54/1066553854.db2.gz UBIADBASODCZCM-UHFFFAOYSA-N 0 0 454.792 4.761 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(Br)cc1F)C1CCCCC1 ZINC001456280034 1066554360 /nfs/dbraw/zinc/55/43/60/1066554360.db2.gz POGULCLMQCQPSF-SFHVURJKSA-N 0 0 457.384 4.721 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)on2)c1 ZINC001456280132 1066554380 /nfs/dbraw/zinc/55/43/80/1066554380.db2.gz YLQFWSIIVMYECG-UHFFFAOYSA-N 0 0 456.424 4.793 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)Nc1ccc(OCC2CC2)cc1 ZINC001456281494 1066554769 /nfs/dbraw/zinc/55/47/69/1066554769.db2.gz KNOFZBXBTJKRDU-UHFFFAOYSA-N 0 0 451.304 4.878 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)ccc1C ZINC001456282374 1066554821 /nfs/dbraw/zinc/55/48/21/1066554821.db2.gz UHNXAOCRQYSXJY-OWBHPGMISA-N 0 0 455.605 4.905 20 0 JJADRN Cc1nc(C(=O)N(Cc2ccccc2)CC2CCOCC2)nn1-c1c(Cl)cccc1Cl ZINC001456281345 1066554870 /nfs/dbraw/zinc/55/48/70/1066554870.db2.gz IYEGHHWIPGOONL-UHFFFAOYSA-N 0 0 459.377 4.952 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973392 1066554907 /nfs/dbraw/zinc/55/49/07/1066554907.db2.gz YHQFEWUJDIRTQB-JTHBVZDNSA-N 0 0 476.625 4.712 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccccc4F)CC3)n2CCSCC(C)C)o1 ZINC001361218502 1066555025 /nfs/dbraw/zinc/55/50/25/1066555025.db2.gz SLXDSKQPUXSJKF-UHFFFAOYSA-N 0 0 485.629 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCCn2cccn2)cc1Br ZINC001361218636 1066555066 /nfs/dbraw/zinc/55/50/66/1066555066.db2.gz PNFHCRKESXFVSI-FQEVSTJZSA-N 0 0 457.420 4.928 20 0 JJADRN Cc1nc(C(=O)NCCc2ccc(Br)cc2)nn1-c1c(Cl)cccc1Cl ZINC001456287130 1066555781 /nfs/dbraw/zinc/55/57/81/1066555781.db2.gz SBPWOPVPVVEPKV-UHFFFAOYSA-N 0 0 454.155 4.618 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CCO1 ZINC001546081288 1066556391 /nfs/dbraw/zinc/55/63/91/1066556391.db2.gz MJVQCEKDPVXVSJ-DEOSSOPVSA-N 0 0 462.038 4.549 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC001445319762 1066556529 /nfs/dbraw/zinc/55/65/29/1066556529.db2.gz CDDSJEQHPXYEEZ-UHFFFAOYSA-N 0 0 450.645 4.943 20 0 JJADRN Cc1cc2scc(CC(=O)N3CCC(OCCCNC(=O)OC(C)(C)C)CC3)c2s1 ZINC001445320344 1066556645 /nfs/dbraw/zinc/55/66/45/1066556645.db2.gz GOPXRTAXPYBRDZ-UHFFFAOYSA-N 0 0 452.642 4.736 20 0 JJADRN Nc1cc(I)ccc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC001445320420 1066556760 /nfs/dbraw/zinc/55/67/60/1066556760.db2.gz ATEAHLXEBWHTGG-UHFFFAOYSA-N 0 0 456.274 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361219931 1066556926 /nfs/dbraw/zinc/55/69/26/1066556926.db2.gz WMTIVTWQLLOYEK-UHFFFAOYSA-N 0 0 453.562 4.630 20 0 JJADRN CCCOC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCCCC1 ZINC001445326086 1066557034 /nfs/dbraw/zinc/55/70/34/1066557034.db2.gz NTEHNYCUYJWAAD-UHFFFAOYSA-N 0 0 458.624 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCc3ccc(Br)cc3)CC2)CC1 ZINC001456298553 1066557235 /nfs/dbraw/zinc/55/72/35/1066557235.db2.gz NMDMDKIWLTYJHI-UHFFFAOYSA-N 0 0 451.405 4.535 20 0 JJADRN COCCOC1CCC(C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)CC1 ZINC001361220228 1066557238 /nfs/dbraw/zinc/55/72/38/1066557238.db2.gz JGUAFUNSCIPYIV-XUNZJTMSSA-N 0 0 453.579 4.769 20 0 JJADRN CC(C)OCCN1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC001445324932 1066557348 /nfs/dbraw/zinc/55/73/48/1066557348.db2.gz OGAUKJVPKNLXFG-UHFFFAOYSA-N 0 0 455.649 4.771 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c(O)c1)c1cc(F)cc(F)c1 ZINC001456300153 1066557895 /nfs/dbraw/zinc/55/78/95/1066557895.db2.gz XUQYUSLJELWQEL-KSMLVUNXSA-N 0 0 458.411 4.877 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2[C@@H]2C[C@H]2C)cc1Br ZINC001361220753 1066558031 /nfs/dbraw/zinc/55/80/31/1066558031.db2.gz CMQKJMWJPILDEC-CKEIUWERSA-N 0 0 472.353 4.670 20 0 JJADRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001445336274 1066558354 /nfs/dbraw/zinc/55/83/54/1066558354.db2.gz NCQZUDCQZROAKR-UHFFFAOYSA-N 0 0 456.512 4.934 20 0 JJADRN C[C@H]1CC2(CC(NC(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C(=O)OC(C)(C)C)C2)CO1 ZINC001456302271 1066558945 /nfs/dbraw/zinc/55/89/45/1066558945.db2.gz XUCSDAKCUSGYBK-QZWZDBKASA-N 0 0 457.398 4.975 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)NCCC1CCN(CC(F)(F)F)CC1 ZINC001445337801 1066558951 /nfs/dbraw/zinc/55/89/51/1066558951.db2.gz PZMDPVYTINVSKS-UHFFFAOYSA-N 0 0 453.368 4.712 20 0 JJADRN C[C@H]1CC2(CC(NC(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C(=O)OC(C)(C)C)C2)CO1 ZINC001456302261 1066558966 /nfs/dbraw/zinc/55/89/66/1066558966.db2.gz XUCSDAKCUSGYBK-CWWIDSMKSA-N 0 0 457.398 4.975 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001456305579 1066559443 /nfs/dbraw/zinc/55/94/43/1066559443.db2.gz XTKPGDIWVUNDCZ-UHFFFAOYSA-N 0 0 457.448 4.503 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N(Cc1cscn1)c1ccccc1 ZINC001456304379 1066559629 /nfs/dbraw/zinc/55/96/29/1066559629.db2.gz SYKIBXHNCRLLFC-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001456304669 1066559672 /nfs/dbraw/zinc/55/96/72/1066559672.db2.gz DFDBDOBQJCXCLC-HXUWFJFHSA-N 0 0 450.966 4.713 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H]2CCCCC2(F)F)o1 ZINC001361221450 1066560020 /nfs/dbraw/zinc/56/00/20/1066560020.db2.gz YWLRTMXJIXLJLV-CVEARBPZSA-N 0 0 461.479 4.745 20 0 JJADRN O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445343603 1066560012 /nfs/dbraw/zinc/56/00/12/1066560012.db2.gz DBKXLVFYCHEFGV-LJQANCHMSA-N 0 0 458.864 4.711 20 0 JJADRN CC(C)[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Cc1ccc(Cl)cc1Cl ZINC001456308771 1066560148 /nfs/dbraw/zinc/56/01/48/1066560148.db2.gz WZJXKMZADXUSLW-IBGZPJMESA-N 0 0 458.389 4.843 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(Br)c1 ZINC001545973994 1066560259 /nfs/dbraw/zinc/56/02/59/1066560259.db2.gz MSBRBCSWXXXXMQ-QUCCMNQESA-N 0 0 450.348 4.780 20 0 JJADRN O=C(CCc1ccccc1)N1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC001445346082 1066560424 /nfs/dbraw/zinc/56/04/24/1066560424.db2.gz UFOCAFBEJHOMJK-UHFFFAOYSA-N 0 0 451.419 4.779 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1OCc1cscn1 ZINC001545974029 1066560613 /nfs/dbraw/zinc/56/06/13/1066560613.db2.gz NBIDPLSOBAAGOQ-RTWAWAEBSA-N 0 0 456.539 4.598 20 0 JJADRN CO[C@H](C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001445345095 1066560642 /nfs/dbraw/zinc/56/06/42/1066560642.db2.gz JDGRABMVPRMESR-RDJZCZTQSA-N 0 0 455.782 4.613 20 0 JJADRN Cc1ccc(Br)c(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)c1 ZINC001456312349 1066560750 /nfs/dbraw/zinc/56/07/50/1066560750.db2.gz PXCFQNJVDIPBLB-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001456312886 1066560786 /nfs/dbraw/zinc/56/07/86/1066560786.db2.gz STKYEVLSIJJFAP-UHFFFAOYSA-N 0 0 456.340 4.845 20 0 JJADRN CCc1c(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001445348172 1066561032 /nfs/dbraw/zinc/56/10/32/1066561032.db2.gz MSICHOLAOWRHBT-NRFANRHFSA-N 0 0 451.876 4.576 20 0 JJADRN O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(=O)c1cccs1 ZINC001445350098 1066561047 /nfs/dbraw/zinc/56/10/47/1066561047.db2.gz PHTUXKUXFJKVII-FQEVSTJZSA-N 0 0 453.869 4.812 20 0 JJADRN C=CC(=O)Nc1cc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)ccc1F ZINC001445349510 1066561085 /nfs/dbraw/zinc/56/10/85/1066561085.db2.gz WMHGEUQZRSEEPJ-UHFFFAOYSA-N 0 0 450.466 4.799 20 0 JJADRN O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001445347732 1066561178 /nfs/dbraw/zinc/56/11/78/1066561178.db2.gz FSVFSFLDDNJNEI-GOSISDBHSA-N 0 0 459.771 4.771 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1c(F)ccc(Br)c1F ZINC001361222276 1066561084 /nfs/dbraw/zinc/56/10/84/1066561084.db2.gz YCNMNDGOGGNNAV-UHFFFAOYSA-N 0 0 457.278 4.967 20 0 JJADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC001361223218 1066561449 /nfs/dbraw/zinc/56/14/49/1066561449.db2.gz HCOWTBKHMXMLDB-SFHVURJKSA-N 0 0 457.409 4.760 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCSCc2ccccc2)o1 ZINC001361223891 1066561469 /nfs/dbraw/zinc/56/14/69/1066561469.db2.gz BLMSQPOEAALCIL-KRWDZBQOSA-N 0 0 479.572 4.853 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001361223428 1066561492 /nfs/dbraw/zinc/56/14/92/1066561492.db2.gz NTPMVLMKYQZJSI-UHFFFAOYSA-N 0 0 451.267 4.923 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC2CCC(F)(F)CC2)o1 ZINC001361223884 1066561506 /nfs/dbraw/zinc/56/15/06/1066561506.db2.gz BFWBXOBQRSDCLM-CQSZACIVSA-N 0 0 461.479 4.745 20 0 JJADRN C[C@H]1CN(C(=O)CCOc2ccccc2I)c2cc(Cl)ccc2O1 ZINC001361223349 1066561590 /nfs/dbraw/zinc/56/15/90/1066561590.db2.gz LHAYMRXIVWPLOK-LBPRGKRZSA-N 0 0 457.695 4.528 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC001361223572 1066561603 /nfs/dbraw/zinc/56/16/03/1066561603.db2.gz RIFIPICQFQJGHW-HXUWFJFHSA-N 0 0 458.352 4.553 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1csc(Br)n1 ZINC001445358345 1066561732 /nfs/dbraw/zinc/56/17/32/1066561732.db2.gz MCEYLFGLBBXSTA-UHFFFAOYSA-N 0 0 456.774 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2F)o1 ZINC001361223926 1066562024 /nfs/dbraw/zinc/56/20/24/1066562024.db2.gz DGSNLHZPJAIJHH-DOTOQJQBSA-N 0 0 481.494 4.526 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cc(I)c(F)cc2F)c1-c1ccc(F)cc1 ZINC001456320847 1066562177 /nfs/dbraw/zinc/56/21/77/1066562177.db2.gz RNFGFOSJVYUIMP-UHFFFAOYSA-N 0 0 457.193 4.659 20 0 JJADRN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363886 1066562582 /nfs/dbraw/zinc/56/25/82/1066562582.db2.gz HJWQLISCYSWOMX-FDDCHVKYSA-N 0 0 450.608 4.975 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C2)C1 ZINC001445363992 1066562729 /nfs/dbraw/zinc/56/27/29/1066562729.db2.gz JBISAKPUGBVJKF-SIRSKZSMSA-N 0 0 450.567 4.793 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361224429 1066562840 /nfs/dbraw/zinc/56/28/40/1066562840.db2.gz UHNGIYHXMPHLGF-OAHLLOKOSA-N 0 0 467.923 4.815 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CCSC(F)(F)F)o1 ZINC001361224349 1066562905 /nfs/dbraw/zinc/56/29/05/1066562905.db2.gz QZVLYJITZXGREL-UHFFFAOYSA-N 0 0 469.508 4.561 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCC[C@H]2C)cc1Br ZINC001361224392 1066562957 /nfs/dbraw/zinc/56/29/57/1066562957.db2.gz SLMZSEGRKBQZSC-XLIONFOSSA-N 0 0 488.474 4.757 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Br)cc(OC)c2)CC1 ZINC001456326299 1066563332 /nfs/dbraw/zinc/56/33/32/1066563332.db2.gz CPJBYZOJDDWIFC-HXUWFJFHSA-N 0 0 453.327 4.645 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C)COCc2ccccc2)o1 ZINC001361224507 1066563409 /nfs/dbraw/zinc/56/34/09/1066563409.db2.gz WJAQSIVXCCKSLY-MOPGFXCFSA-N 0 0 491.558 4.772 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)Cc3cccs3)cc2)cc1 ZINC001445366123 1066563413 /nfs/dbraw/zinc/56/34/13/1066563413.db2.gz LZYYBDSTWDRRCM-QGZVFWFLSA-N 0 0 458.605 4.651 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2)cc1 ZINC001445366120 1066563432 /nfs/dbraw/zinc/56/34/32/1066563432.db2.gz LZYYBDSTWDRRCM-KRWDZBQOSA-N 0 0 458.605 4.651 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001456329962 1066563907 /nfs/dbraw/zinc/56/39/07/1066563907.db2.gz KEDOUOMWZAVSPH-MRXNPFEDSA-N 0 0 451.792 4.695 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 ZINC001361225036 1066563792 /nfs/dbraw/zinc/56/37/92/1066563792.db2.gz OZNZIYMODWJCKK-UHFFFAOYSA-N 0 0 451.617 4.843 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1)CC(F)(F)F ZINC001445372647 1066563962 /nfs/dbraw/zinc/56/39/62/1066563962.db2.gz NWARCZBFKPECBD-MRXNPFEDSA-N 0 0 452.904 4.917 20 0 JJADRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445374983 1066564412 /nfs/dbraw/zinc/56/44/12/1066564412.db2.gz HLRHXTSIIWHBAP-GHTZIAJQSA-N 0 0 452.551 4.720 20 0 JJADRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445375002 1066564428 /nfs/dbraw/zinc/56/44/28/1066564428.db2.gz HLRHXTSIIWHBAP-WIYYLYMNSA-N 0 0 452.551 4.720 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC001361226049 1066564524 /nfs/dbraw/zinc/56/45/24/1066564524.db2.gz AKQXURNBUXCHBA-HSZRJFAPSA-N 0 0 458.967 4.792 20 0 JJADRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445374988 1066564561 /nfs/dbraw/zinc/56/45/61/1066564561.db2.gz HLRHXTSIIWHBAP-NQIIRXRSSA-N 0 0 452.551 4.720 20 0 JJADRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445374995 1066564577 /nfs/dbraw/zinc/56/45/77/1066564577.db2.gz HLRHXTSIIWHBAP-RXVVDRJESA-N 0 0 452.551 4.720 20 0 JJADRN COc1ccccc1/C=C(\C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1 ZINC001445378999 1066565076 /nfs/dbraw/zinc/56/50/76/1066565076.db2.gz ZJYOIKZCQHVYTF-WFEDHWCVSA-N 0 0 454.570 4.586 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001456338683 1066565234 /nfs/dbraw/zinc/56/52/34/1066565234.db2.gz OPAQFCNRAKQNBB-WIYYLYMNSA-N 0 0 455.599 4.677 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1-c1ccccc1 ZINC001456339397 1066565458 /nfs/dbraw/zinc/56/54/58/1066565458.db2.gz PQGVPNHBLFXPFS-CNNODRBYSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCCOc2ccc(F)cc2)o1 ZINC001361227328 1066565969 /nfs/dbraw/zinc/56/59/69/1066565969.db2.gz KHVLVWFRAVDVOY-IBGZPJMESA-N 0 0 468.451 4.612 20 0 JJADRN CC(C)c1ccc(Oc2cc(C(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)ccn2)cc1 ZINC001445388520 1066566000 /nfs/dbraw/zinc/56/60/00/1066566000.db2.gz ZGXVMFNJHLPVPE-VWLOTQADSA-N 0 0 457.574 4.961 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)s1 ZINC001445391186 1066566574 /nfs/dbraw/zinc/56/65/74/1066566574.db2.gz KFAXXONOTUXTBR-CQSZACIVSA-N 0 0 450.630 4.589 20 0 JJADRN CC(C)c1nc(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c[nH]1 ZINC001456347333 1066566891 /nfs/dbraw/zinc/56/68/91/1066566891.db2.gz XHWFKCGFJXNNLG-UHFFFAOYSA-N 0 0 455.584 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC2(C)CC2)cc1Br ZINC001361227876 1066567133 /nfs/dbraw/zinc/56/71/33/1066567133.db2.gz XSLXMONSGYTYHT-INIZCTEOSA-N 0 0 473.337 4.974 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361227988 1066567150 /nfs/dbraw/zinc/56/71/50/1066567150.db2.gz ZZIHKVYNNFANHY-ICSRJNTNSA-N 0 0 475.431 4.612 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546081714 1066567204 /nfs/dbraw/zinc/56/72/04/1066567204.db2.gz VIBFCOGBXSABDK-HSZRJFAPSA-N 0 0 474.030 4.916 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCO1 ZINC001445402598 1066567449 /nfs/dbraw/zinc/56/74/49/1066567449.db2.gz IMSXFOUYIPWKHE-LJQANCHMSA-N 0 0 452.334 4.968 20 0 JJADRN CC1(C)CN(C(=O)Cc2nsc3ccccc32)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456352984 1066567612 /nfs/dbraw/zinc/56/76/12/1066567612.db2.gz AQYYPRBFXBAYCD-OAQYLSRUSA-N 0 0 456.688 4.957 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3cc(Cl)cc(F)c3Br)sc21 ZINC001456352867 1066567772 /nfs/dbraw/zinc/56/77/72/1066567772.db2.gz INQCXQCPBZPSFI-UHFFFAOYSA-N 0 0 458.696 4.594 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2Cc2ccnc(C(F)(F)F)c2)cc1Br ZINC001361229290 1066568223 /nfs/dbraw/zinc/56/82/23/1066568223.db2.gz OVWVZODQTWFQLE-CQSZACIVSA-N 0 0 496.331 4.703 20 0 JJADRN CCOC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 ZINC001445408186 1066568189 /nfs/dbraw/zinc/56/81/89/1066568189.db2.gz ZDTOGPXOHDJHMQ-LJQANCHMSA-N 0 0 458.624 4.592 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456354866 1066568111 /nfs/dbraw/zinc/56/81/11/1066568111.db2.gz VXFBGQCSAYOUBY-DNQXCXABSA-N 0 0 456.920 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](Cc4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361229321 1066568247 /nfs/dbraw/zinc/56/82/47/1066568247.db2.gz PLVYAUHRVMKVGQ-KRWDZBQOSA-N 0 0 452.502 4.547 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001456354871 1066568362 /nfs/dbraw/zinc/56/83/62/1066568362.db2.gz VXFBGQCSAYOUBY-ZEQRLZLVSA-N 0 0 456.920 4.725 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(C)c(C(=O)OC)c1)NC(=O)OC(C)(C)C ZINC001445411534 1066568306 /nfs/dbraw/zinc/56/83/06/1066568306.db2.gz MAICFNFAFHCTOW-FQEVSTJZSA-N 0 0 456.539 4.775 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)n2CC(F)(F)F)o1 ZINC001361229356 1066568529 /nfs/dbraw/zinc/56/85/29/1066568529.db2.gz QLSCFAFOTSOXFA-MRXNPFEDSA-N 0 0 458.387 4.588 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@@](C)(O)C(C)C)cc1Br ZINC001361229345 1066568745 /nfs/dbraw/zinc/56/87/45/1066568745.db2.gz QGRQRTZGXKVYBB-HYBUGGRVSA-N 0 0 491.474 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4nc(C(C)(C)C)cs4)C3)n2CCOC(C)C)o1 ZINC001361229568 1066569090 /nfs/dbraw/zinc/56/90/90/1066569090.db2.gz TXRCEVDAJAKFLA-GOSISDBHSA-N 0 0 459.616 4.603 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](Cc4ccccc4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361229748 1066569165 /nfs/dbraw/zinc/56/91/65/1066569165.db2.gz VNVCVTONYMXPIB-NRFANRHFSA-N 0 0 495.624 4.598 20 0 JJADRN CN(C(=O)CNC(=O)C(C)(C)C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419237 1066569255 /nfs/dbraw/zinc/56/92/55/1066569255.db2.gz UEIKUWJXTQQUGK-IBGZPJMESA-N 0 0 451.792 4.813 20 0 JJADRN Cc1csc(-c2cccc(C(=O)N(C)C[C@H](O)COc3ccc(C(F)(F)F)cc3)c2)n1 ZINC001445419438 1066569284 /nfs/dbraw/zinc/56/92/84/1066569284.db2.gz GTMYFXSUGSBWGW-SFHVURJKSA-N 0 0 450.482 4.649 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001545974929 1066569496 /nfs/dbraw/zinc/56/94/96/1066569496.db2.gz HXAFDCOMQUPSGJ-MRXNPFEDSA-N 0 0 457.504 4.856 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCC(=O)OCc1ccccc1 ZINC001445419283 1066569510 /nfs/dbraw/zinc/56/95/10/1066569510.db2.gz ULEJCUATYPELAN-UHFFFAOYSA-N 0 0 457.368 4.893 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC001361230788 1066569908 /nfs/dbraw/zinc/56/99/08/1066569908.db2.gz CALCESXRHSLIAJ-SJLPKXTDSA-N 0 0 479.488 4.899 20 0 JJADRN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445429443 1066570282 /nfs/dbraw/zinc/57/02/82/1066570282.db2.gz JYWDUKSVEJPQLT-UXHICEINSA-N 0 0 450.601 4.729 20 0 JJADRN Cc1cccc2cc(C(=O)N(C)C[C@H](O)COc3ccccc3C(F)(F)F)c(Cl)nc12 ZINC001445427661 1066570511 /nfs/dbraw/zinc/57/05/11/1066570511.db2.gz RZTXMEQSVACKIA-HNNXBMFYSA-N 0 0 452.860 4.727 20 0 JJADRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445429459 1066570544 /nfs/dbraw/zinc/57/05/44/1066570544.db2.gz JYWDUKSVEJPQLT-WOJBJXKFSA-N 0 0 450.601 4.729 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001456361468 1066570725 /nfs/dbraw/zinc/57/07/25/1066570725.db2.gz PJDMJGOQJOZYDM-HZPDHXFCSA-N 0 0 450.457 4.877 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1Cl ZINC001456361336 1066570839 /nfs/dbraw/zinc/57/08/39/1066570839.db2.gz CHOFZEDFNSHJQE-HXUWFJFHSA-N 0 0 455.045 4.949 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@]2(O)CCC[C@H]2C)cc1Br ZINC001361231203 1066570908 /nfs/dbraw/zinc/57/09/08/1066570908.db2.gz NUKIYPWOFSZGLB-XFQAVAEZSA-N 0 0 465.461 4.509 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001456362642 1066571275 /nfs/dbraw/zinc/57/12/75/1066571275.db2.gz KTUPVDTZPVIYGZ-AWEZNQCLSA-N 0 0 453.391 4.894 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC2CCOCC2)cc1Br ZINC001361231568 1066571355 /nfs/dbraw/zinc/57/13/55/1066571355.db2.gz DDFXRLYZJOHABE-HDICACEKSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCC2CC(OC(C)(C)C)C2)o1 ZINC001361231497 1066571409 /nfs/dbraw/zinc/57/14/09/1066571409.db2.gz BWHPTMHEORCSDR-GPJFCIFZSA-N 0 0 487.645 4.934 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2Cl)C(C)C)ccc1OC ZINC001456364460 1066572120 /nfs/dbraw/zinc/57/21/20/1066572120.db2.gz PKVAZRDEHLVSMD-NRFANRHFSA-N 0 0 453.004 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCSCC(F)(F)F)cc1Br ZINC001361231881 1066572309 /nfs/dbraw/zinc/57/23/09/1066572309.db2.gz JEROLOJPZPODSK-CJNGLKHVSA-N 0 0 493.393 4.519 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(F)(F)Br)cc1Br ZINC001361231884 1066572316 /nfs/dbraw/zinc/57/23/16/1066572316.db2.gz JHESEWXNSOMUGC-TXEJJXNPSA-N 0 0 494.178 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361232021 1066572368 /nfs/dbraw/zinc/57/23/68/1066572368.db2.gz VJIMOPHQXKYFOH-QVKFZJNVSA-N 0 0 493.496 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2c(C)cccc2C)o1 ZINC001361232740 1066573296 /nfs/dbraw/zinc/57/32/96/1066573296.db2.gz WFKPSSWPDGPJTG-FQEVSTJZSA-N 0 0 465.598 4.809 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545975375 1066573751 /nfs/dbraw/zinc/57/37/51/1066573751.db2.gz QMWPFGQNWJAWCF-UYAOXDASSA-N 0 0 498.603 4.621 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545975373 1066573809 /nfs/dbraw/zinc/57/38/09/1066573809.db2.gz QMWPFGQNWJAWCF-ICSRJNTNSA-N 0 0 498.603 4.621 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc(Cl)n1 ZINC001456383017 1066574197 /nfs/dbraw/zinc/57/41/97/1066574197.db2.gz WUZAIYXKTKYCCZ-INIZCTEOSA-N 0 0 451.901 4.559 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2CCCOCCC(C)C)cc1Br ZINC001361233589 1066574366 /nfs/dbraw/zinc/57/43/66/1066574366.db2.gz HAPXSLHODNROEU-UHFFFAOYSA-N 0 0 461.408 4.946 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1)C2=O ZINC001361234747 1066574808 /nfs/dbraw/zinc/57/48/08/1066574808.db2.gz OEWHFQVSJWPJEU-HFEXRAOESA-N 0 0 457.615 4.805 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCC1 ZINC001456384962 1066574833 /nfs/dbraw/zinc/57/48/33/1066574833.db2.gz UNESKHRWUVXEDG-UHFFFAOYSA-N 0 0 456.558 4.853 20 0 JJADRN O=C(c1ccc2[nH]cc(I)c2c1)N1CC(Cc2ccccc2Cl)C1 ZINC001445472607 1066575045 /nfs/dbraw/zinc/57/50/45/1066575045.db2.gz HKZSVEYPQQULOA-UHFFFAOYSA-N 0 0 450.707 4.741 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Cc1csc2ccc(Br)cc12 ZINC001361234568 1066574968 /nfs/dbraw/zinc/57/49/68/1066574968.db2.gz RHPYRKQSNLXEKB-UHFFFAOYSA-N 0 0 453.308 4.582 20 0 JJADRN CC(C)[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC001456384332 1066575181 /nfs/dbraw/zinc/57/51/81/1066575181.db2.gz BKSFPOHRIXQYMI-QFIPXVFZSA-N 0 0 450.608 4.976 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2CCOc2ccc(Cl)cn2)cc1Br ZINC001361235261 1066575374 /nfs/dbraw/zinc/57/53/74/1066575374.db2.gz SWJTWVUXCUYEOJ-UHFFFAOYSA-N 0 0 488.777 4.621 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC001456389976 1066576057 /nfs/dbraw/zinc/57/60/57/1066576057.db2.gz NFSMCBLDHQGWHK-QHCPKHFHSA-N 0 0 459.571 4.645 20 0 JJADRN O=C(c1cc(F)cc(Br)c1F)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445485366 1066576293 /nfs/dbraw/zinc/57/62/93/1066576293.db2.gz QQPBCYQTNUCCBS-UHFFFAOYSA-N 0 0 450.201 4.941 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)C)o1 ZINC001361235913 1066576365 /nfs/dbraw/zinc/57/63/65/1066576365.db2.gz AHHCKUHFAWHUPS-HSALFYBXSA-N 0 0 473.618 4.717 20 0 JJADRN CC[C@@]1(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445486286 1066576429 /nfs/dbraw/zinc/57/64/29/1066576429.db2.gz YWAWSUVWIVKIFQ-JOCHJYFZSA-N 0 0 456.505 4.623 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001445486743 1066576839 /nfs/dbraw/zinc/57/68/39/1066576839.db2.gz QKYZJWJGHPNSMU-RTBURBONSA-N 0 0 456.505 4.622 20 0 JJADRN CC(C)Oc1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1Br ZINC001456394230 1066577020 /nfs/dbraw/zinc/57/70/20/1066577020.db2.gz FWLKEFAFAXCMEX-GJZGRUSLSA-N 0 0 455.393 4.706 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC001456393140 1066577115 /nfs/dbraw/zinc/57/71/15/1066577115.db2.gz RZKCTTGODKGICM-QHCPKHFHSA-N 0 0 452.501 4.611 20 0 JJADRN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001445491292 1066577459 /nfs/dbraw/zinc/57/74/59/1066577459.db2.gz JJROLMUSWKHESN-DNVCBOLYSA-N 0 0 458.440 4.517 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1 ZINC001456395041 1066577560 /nfs/dbraw/zinc/57/75/60/1066577560.db2.gz XYGOBWBZJIYNSP-MHZLTWQESA-N 0 0 456.586 4.965 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CSc1ccc(Br)cc1C)O[C@@H](C)C2 ZINC001361236875 1066577634 /nfs/dbraw/zinc/57/76/34/1066577634.db2.gz COZRWQIEXHWNMD-AWEZNQCLSA-N 0 0 450.398 4.888 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 ZINC001361237040 1066577682 /nfs/dbraw/zinc/57/76/82/1066577682.db2.gz LWDCZQWBTXKPOP-PMVMPFDFSA-N 0 0 467.658 4.765 20 0 JJADRN O=C(NCc1nccn1CCCc1ccccc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001445492536 1066577889 /nfs/dbraw/zinc/57/78/89/1066577889.db2.gz QBVPKEDQQGYRDG-UHFFFAOYSA-N 0 0 456.521 4.837 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(Br)c(Cl)cc1OC)O[C@H](C)C2 ZINC001361237488 1066578112 /nfs/dbraw/zinc/57/81/12/1066578112.db2.gz JAHOBVKWUZWLDD-LLVKDONJSA-N 0 0 454.748 4.763 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)no1 ZINC001361237569 1066578175 /nfs/dbraw/zinc/57/81/75/1066578175.db2.gz NKEKHQABRMQBSH-HNNXBMFYSA-N 0 0 450.992 4.514 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456396631 1066578141 /nfs/dbraw/zinc/57/81/41/1066578141.db2.gz ITBAREBMHCFFLX-ZNMIVQPWSA-N 0 0 457.434 4.786 20 0 JJADRN Cc1cccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1I ZINC001456395854 1066578180 /nfs/dbraw/zinc/57/81/80/1066578180.db2.gz QFTNAGXVUJIAIH-DEOSSOPVSA-N 0 0 455.361 4.899 20 0 JJADRN COCCOc1ccccc1N1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC001445500877 1066578345 /nfs/dbraw/zinc/57/83/45/1066578345.db2.gz WMTMWXCMEBQCCZ-UHFFFAOYSA-N 0 0 451.394 4.645 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC001361238001 1066578611 /nfs/dbraw/zinc/57/86/11/1066578611.db2.gz RYUGWIWOSKWQDU-HVCNVCAESA-N 0 0 481.685 4.866 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)(C)C)o1 ZINC001361238088 1066578657 /nfs/dbraw/zinc/57/86/57/1066578657.db2.gz UMLULZPOVFSASL-LJQANCHMSA-N 0 0 487.551 4.952 20 0 JJADRN O=C(c1ccc2c(c1)CCC2)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361238139 1066578782 /nfs/dbraw/zinc/57/87/82/1066578782.db2.gz NDBRUPZPXIQELH-UHFFFAOYSA-N 0 0 453.302 4.919 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361238377 1066579223 /nfs/dbraw/zinc/57/92/23/1066579223.db2.gz WASSUXCLDFXKIV-HJOGWXRNSA-N 0 0 483.657 4.899 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361238734 1066579611 /nfs/dbraw/zinc/57/96/11/1066579611.db2.gz XQGQECSURUEAED-ICSRJNTNSA-N 0 0 459.591 4.630 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001361238630 1066579688 /nfs/dbraw/zinc/57/96/88/1066579688.db2.gz WVQFKURTMKCPTC-KTBRYMIGSA-N 0 0 471.696 4.831 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC001456408455 1066580322 /nfs/dbraw/zinc/58/03/22/1066580322.db2.gz GPDNYXLYJSJXCF-UHFFFAOYSA-N 0 0 457.715 4.928 20 0 JJADRN Cc1noc(C2CC2)c1C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361239231 1066580706 /nfs/dbraw/zinc/58/07/06/1066580706.db2.gz ZXJUEKPCBPQNPT-UHFFFAOYSA-N 0 0 458.278 4.604 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)C1 ZINC001456413585 1066580722 /nfs/dbraw/zinc/58/07/22/1066580722.db2.gz NEXGBTTUAIMRPB-MRXNPFEDSA-N 0 0 453.974 4.899 20 0 JJADRN COc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1NC(=O)C1CCCCC1 ZINC001456414713 1066581254 /nfs/dbraw/zinc/58/12/54/1066581254.db2.gz TWVCARBKDLXWJZ-UHFFFAOYSA-N 0 0 453.930 4.700 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456415901 1066581305 /nfs/dbraw/zinc/58/13/05/1066581305.db2.gz XKEOYBABWCZWQV-RYUDHWBXSA-N 0 0 450.280 4.796 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H]2CCCCO2)c(C)c1 ZINC001361239406 1066581270 /nfs/dbraw/zinc/58/12/70/1066581270.db2.gz FCFLRAPRJFERCG-NRFANRHFSA-N 0 0 486.458 4.911 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001445523764 1066581498 /nfs/dbraw/zinc/58/14/98/1066581498.db2.gz GLENVYOECVGDRP-RXVVDRJESA-N 0 0 454.571 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)C1(C(F)F)CCC1)Cc1ccccc1O2 ZINC001456419097 1066581989 /nfs/dbraw/zinc/58/19/89/1066581989.db2.gz HWPREEAAKCAIOX-UHFFFAOYSA-N 0 0 450.526 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC001445526675 1066582057 /nfs/dbraw/zinc/58/20/57/1066582057.db2.gz MLZIBPGSLTXJHS-AUSIDOKSSA-N 0 0 450.501 4.968 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC001445526699 1066582105 /nfs/dbraw/zinc/58/21/05/1066582105.db2.gz MLZIBPGSLTXJHS-WMZHIEFXSA-N 0 0 450.501 4.968 20 0 JJADRN CCOc1ccccc1OCCCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001456423776 1066582124 /nfs/dbraw/zinc/58/21/24/1066582124.db2.gz BSDPEXQUHMFKLX-QGZVFWFLSA-N 0 0 452.473 4.538 20 0 JJADRN C[C@@H](Cc1ccco1)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001456426818 1066582461 /nfs/dbraw/zinc/58/24/61/1066582461.db2.gz WXUAQRWGZWUTIY-IBGZPJMESA-N 0 0 454.567 4.649 20 0 JJADRN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001445526732 1066582629 /nfs/dbraw/zinc/58/26/29/1066582629.db2.gz MRRODZSMOKQDHJ-GIFXNVAJSA-N 0 0 459.055 4.922 20 0 JJADRN Cn1cnc(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1Br ZINC001456428299 1066583043 /nfs/dbraw/zinc/58/30/43/1066583043.db2.gz ORXUTBAOKLNFPA-UHFFFAOYSA-N 0 0 458.322 4.762 20 0 JJADRN COc1cccc(C=C(CC(=O)NCc2[nH]cc(C)c(=O)c2C)c2nc3ccccc3s2)c1 ZINC001456427602 1066583080 /nfs/dbraw/zinc/58/30/80/1066583080.db2.gz ZBJSLHREUYPEQA-ODLFYWEKSA-N 0 0 459.571 4.857 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001361241412 1066583228 /nfs/dbraw/zinc/58/32/28/1066583228.db2.gz CVZZAQXQNLDDHQ-NRFANRHFSA-N 0 0 481.044 4.676 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)ccc1Cl ZINC001456431039 1066583476 /nfs/dbraw/zinc/58/34/76/1066583476.db2.gz MZRXZIQDQPDDCC-UHFFFAOYSA-N 0 0 452.979 4.608 20 0 JJADRN Cc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001361241756 1066583593 /nfs/dbraw/zinc/58/35/93/1066583593.db2.gz OFGGHGBTTUAHLI-NRFANRHFSA-N 0 0 476.625 4.645 20 0 JJADRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC001445531847 1066583708 /nfs/dbraw/zinc/58/37/08/1066583708.db2.gz IXTHNPZRYVCLMI-KUHUBIRLSA-N 0 0 456.327 4.713 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)c(C)c1 ZINC001361241736 1066583659 /nfs/dbraw/zinc/58/36/59/1066583659.db2.gz NUCVSCUJSBDDGJ-GOSISDBHSA-N 0 0 460.445 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2C)o1 ZINC001361241847 1066583738 /nfs/dbraw/zinc/58/37/38/1066583738.db2.gz QWJZEEKFYODSSJ-OAQYLSRUSA-N 0 0 465.598 4.809 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cc3c(cc2Br)OCO3)cc1 ZINC001456432438 1066583850 /nfs/dbraw/zinc/58/38/50/1066583850.db2.gz POSTYXSCFNQTHB-UHFFFAOYSA-N 0 0 456.292 4.909 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@H](O)c1ccccc1F ZINC001445530937 1066583865 /nfs/dbraw/zinc/58/38/65/1066583865.db2.gz CNDGDXNQTJINGR-QGZVFWFLSA-N 0 0 450.894 4.704 20 0 JJADRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001456432450 1066583963 /nfs/dbraw/zinc/58/39/63/1066583963.db2.gz JXUMPTSOFXQOFK-HBFSDRIKSA-N 0 0 458.521 4.581 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCOC2)cc1 ZINC001361242583 1066584201 /nfs/dbraw/zinc/58/42/01/1066584201.db2.gz AUYKTIRMGUMPNH-DNQXCXABSA-N 0 0 497.684 4.807 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001445535091 1066584191 /nfs/dbraw/zinc/58/41/91/1066584191.db2.gz YEHXKBTXSCJGOT-HXUWFJFHSA-N 0 0 453.564 4.519 20 0 JJADRN CCn1cc(Br)cc1C(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 ZINC001445535393 1066584223 /nfs/dbraw/zinc/58/42/23/1066584223.db2.gz DBDBYEMTSQQDMP-UHFFFAOYSA-N 0 0 457.324 4.888 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NC[C@H](O)COc1cccc(C)c1)c(C)n2C1CCCCC1 ZINC001445533976 1066584459 /nfs/dbraw/zinc/58/44/59/1066584459.db2.gz MIFLGPLDMOZWGT-NRFANRHFSA-N 0 0 450.579 4.942 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456434043 1066584452 /nfs/dbraw/zinc/58/44/52/1066584452.db2.gz VEZOCMXVHZPVAK-NRFANRHFSA-N 0 0 455.555 4.568 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 ZINC001445536495 1066584794 /nfs/dbraw/zinc/58/47/94/1066584794.db2.gz ZYPDLCDJWIWRIW-RXVVDRJESA-N 0 0 455.400 4.539 20 0 JJADRN Cc1ccc(CCn2c(CC(C)C)nnc2N2CCC(OC[C@@H]3CCCCO3)CC2)c(C)c1 ZINC001361243377 1066585145 /nfs/dbraw/zinc/58/51/45/1066585145.db2.gz MRELKHQEIVABOR-VWLOTQADSA-N 0 0 454.659 4.891 20 0 JJADRN Cc1ccccc1C1(C(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001456436186 1066585306 /nfs/dbraw/zinc/58/53/06/1066585306.db2.gz ROTJHBGWBUPRIT-UHFFFAOYSA-N 0 0 456.627 4.872 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)nc1Br ZINC001456436359 1066585363 /nfs/dbraw/zinc/58/53/63/1066585363.db2.gz SWLSTWSXBFMZSE-HHHXNRCGSA-N 0 0 451.386 4.686 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC001445540043 1066585423 /nfs/dbraw/zinc/58/54/23/1066585423.db2.gz LJBQMALMKJCFJG-VXKWHMMOSA-N 0 0 450.604 4.742 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1 ZINC001361243984 1066586031 /nfs/dbraw/zinc/58/60/31/1066586031.db2.gz ZQBVYBYIWIZLJT-GMAHTHKFSA-N 0 0 483.657 4.825 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccnn2CC(F)(F)F)c2ccccc2Cl)c(OC)c1 ZINC001361244340 1066586103 /nfs/dbraw/zinc/58/61/03/1066586103.db2.gz JEGNAXMYAOYRET-LJQANCHMSA-N 0 0 453.848 4.635 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)NC[C@H](O)c1ccccc1F ZINC001445543076 1066586388 /nfs/dbraw/zinc/58/63/88/1066586388.db2.gz QZYHRMAZRMARHZ-FQEVSTJZSA-N 0 0 458.320 4.999 20 0 JJADRN CSc1ccc(/C=C\C(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001456439190 1066586356 /nfs/dbraw/zinc/58/63/56/1066586356.db2.gz RGKSYZNAWLRFEZ-IOBAAEILSA-N 0 0 452.642 4.500 20 0 JJADRN Cc1nc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)oc1-c1ccc(Cl)cc1 ZINC001445551675 1066586895 /nfs/dbraw/zinc/58/68/95/1066586895.db2.gz XXUHKLNXJDOFHI-HXUWFJFHSA-N 0 0 451.954 4.780 20 0 JJADRN Cc1sc([C@H](C)NC(=O)c2cc(N3CCNC3=O)ccc2F)nc1-c1ccc(Cl)cc1 ZINC001445556545 1066587213 /nfs/dbraw/zinc/58/72/13/1066587213.db2.gz ZGVYLJDDDZASRL-LBPRGKRZSA-N 0 0 458.946 4.932 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC001545976593 1066587257 /nfs/dbraw/zinc/58/72/57/1066587257.db2.gz SGLOHXLLWWGSPT-SFHVURJKSA-N 0 0 459.930 4.885 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)nc1-c1ccc(Cl)cc1 ZINC001445552848 1066587262 /nfs/dbraw/zinc/58/72/62/1066587262.db2.gz RYAPYQFKAHRRBQ-MGPUTAFESA-N 0 0 453.995 4.998 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(Cl)c(Br)c2)CCCC1 ZINC001445559875 1066587300 /nfs/dbraw/zinc/58/73/00/1066587300.db2.gz FQNAGAHSJKOVNC-UHFFFAOYSA-N 0 0 450.764 4.853 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456441193 1066587442 /nfs/dbraw/zinc/58/74/42/1066587442.db2.gz RMUUMWYSOTVRLE-OAHLLOKOSA-N 0 0 457.398 4.553 20 0 JJADRN COc1c(N)c(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc(Cl)c1Br ZINC001445563689 1066587703 /nfs/dbraw/zinc/58/77/03/1066587703.db2.gz PXHGRISGBCPFGE-LBPRGKRZSA-N 0 0 452.780 4.785 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(c4ccc(F)cc4C)C3)CC2=O)cc1 ZINC001456443701 1066587808 /nfs/dbraw/zinc/58/78/08/1066587808.db2.gz MYPLBIYQWQFVHF-FYYLOGMGSA-N 0 0 451.586 4.615 20 0 JJADRN Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361246164 1066588515 /nfs/dbraw/zinc/58/85/15/1066588515.db2.gz ZMGFSVRWSDCRIF-DEOSSOPVSA-N 0 0 497.684 4.600 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456446000 1066588442 /nfs/dbraw/zinc/58/84/42/1066588442.db2.gz RQRISNXZTYBHAR-RPBOFIJWSA-N 0 0 459.565 4.781 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456445998 1066588564 /nfs/dbraw/zinc/58/85/64/1066588564.db2.gz RQRISNXZTYBHAR-LOSJGSFVSA-N 0 0 459.565 4.781 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456445994 1066588620 /nfs/dbraw/zinc/58/86/20/1066588620.db2.gz RQRISNXZTYBHAR-DQEYMECFSA-N 0 0 459.565 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N(Cc3cncs3)Cc3cncs3)cc21 ZINC001456446847 1066588970 /nfs/dbraw/zinc/58/89/70/1066588970.db2.gz YPGSUSCMORXCSU-UHFFFAOYSA-N 0 0 456.593 4.740 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001456446914 1066589052 /nfs/dbraw/zinc/58/90/52/1066589052.db2.gz OHJPOIWFHVZOBO-OAHLLOKOSA-N 0 0 450.709 4.837 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)cc2)n1 ZINC001456448883 1066589533 /nfs/dbraw/zinc/58/95/33/1066589533.db2.gz USAHYUPOBMGOKV-UHFFFAOYSA-N 0 0 457.412 4.722 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CCCCC2)cc1OC ZINC001456448450 1066589592 /nfs/dbraw/zinc/58/95/92/1066589592.db2.gz OHMSBBIPCKDHRI-UHFFFAOYSA-N 0 0 450.579 4.590 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)s1 ZINC001361247235 1066590050 /nfs/dbraw/zinc/59/00/50/1066590050.db2.gz VIUNULJGHUUNLA-UHFFFAOYSA-N 0 0 488.057 4.685 20 0 JJADRN COc1ccc([C@H](NC(=O)CCCc2sccc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247402 1066590064 /nfs/dbraw/zinc/59/00/64/1066590064.db2.gz BIOMIBVYNFHZJB-DEOSSOPVSA-N 0 0 457.617 4.697 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cs1)C(N)=O ZINC001456450076 1066590053 /nfs/dbraw/zinc/59/00/53/1066590053.db2.gz RGROHSGURYMMNV-QRWLVFNGSA-N 0 0 455.605 4.820 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001445580999 1066590205 /nfs/dbraw/zinc/59/02/05/1066590205.db2.gz BJSFIKHHTCBTKV-CJFMBICVSA-N 0 0 456.587 4.751 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)s1 ZINC001361247930 1066590364 /nfs/dbraw/zinc/59/03/64/1066590364.db2.gz CSNBAZCGWKPYTQ-KRWDZBQOSA-N 0 0 454.575 4.654 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccn(CC(C)C)c2=O)c2ccccc2Cl)c(OC)c1 ZINC001361247613 1066590385 /nfs/dbraw/zinc/59/03/85/1066590385.db2.gz JFKMENNBNDIJSJ-HSZRJFAPSA-N 0 0 454.954 4.694 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)on1 ZINC001361247893 1066590407 /nfs/dbraw/zinc/59/04/07/1066590407.db2.gz NXFOZCAQILAJIR-UHFFFAOYSA-N 0 0 456.564 4.893 20 0 JJADRN COc1cc(NC2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc(OC)c1 ZINC001445582884 1066590696 /nfs/dbraw/zinc/59/06/96/1066590696.db2.gz FXMRNMFSTQXCHV-UHFFFAOYSA-N 0 0 458.986 4.509 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)o1 ZINC001361248103 1066590884 /nfs/dbraw/zinc/59/08/84/1066590884.db2.gz GOXHRRCCXFFAHW-QGZVFWFLSA-N 0 0 474.005 4.772 20 0 JJADRN COc1cc(NC2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc(OC)c1 ZINC001445585073 1066591074 /nfs/dbraw/zinc/59/10/74/1066591074.db2.gz LCOKYIYDXUWDMX-UHFFFAOYSA-N 0 0 454.958 4.568 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCSC2)s1 ZINC001361248129 1066591173 /nfs/dbraw/zinc/59/11/73/1066591173.db2.gz HGIJAFBNVPBFFW-CYFREDJKSA-N 0 0 472.680 4.909 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccsc2C(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361248398 1066591805 /nfs/dbraw/zinc/59/18/05/1066591805.db2.gz UTHVTVAHAYYGBG-GOSISDBHSA-N 0 0 451.516 4.617 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC[C@@H]2C)s1 ZINC001361248255 1066591873 /nfs/dbraw/zinc/59/18/73/1066591873.db2.gz IOFOTZCCXJSYMK-SIKLNZKXSA-N 0 0 483.682 4.762 20 0 JJADRN CO[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccccc1Br ZINC001456455367 1066591889 /nfs/dbraw/zinc/59/18/89/1066591889.db2.gz MBEOCGHRAIDFES-NRFANRHFSA-N 0 0 455.308 4.609 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC001445587163 1066592036 /nfs/dbraw/zinc/59/20/36/1066592036.db2.gz SFTQXCQKRZDFDG-JOCHJYFZSA-N 0 0 453.583 4.699 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 ZINC001361248438 1066592166 /nfs/dbraw/zinc/59/21/66/1066592166.db2.gz VXHIYXQAXDNBTL-MRXNPFEDSA-N 0 0 453.539 4.638 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001445587071 1066592278 /nfs/dbraw/zinc/59/22/78/1066592278.db2.gz NHUNLAKUCNORNJ-INIZCTEOSA-N 0 0 456.951 4.532 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)NC1(c2cccc(F)c2)CCOCC1 ZINC001361248639 1066592314 /nfs/dbraw/zinc/59/23/14/1066592314.db2.gz ZAZNPDXSDXIAAR-UHFFFAOYSA-N 0 0 456.739 4.833 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361248779 1066592338 /nfs/dbraw/zinc/59/23/38/1066592338.db2.gz QXZXDGWVPJNROM-GOSISDBHSA-N 0 0 464.545 4.604 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1F ZINC001456462995 1066592365 /nfs/dbraw/zinc/59/23/65/1066592365.db2.gz NBEXVPSYFLQFKX-UHFFFAOYSA-N 0 0 454.299 4.747 20 0 JJADRN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590209 1066592665 /nfs/dbraw/zinc/59/26/65/1066592665.db2.gz IRQILRHZZOIGFV-HYBUGGRVSA-N 0 0 454.574 4.952 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnc(C)s2)s1 ZINC001361248940 1066592776 /nfs/dbraw/zinc/59/27/76/1066592776.db2.gz WKMJNGOKCYEOPE-AWEZNQCLSA-N 0 0 458.588 4.772 20 0 JJADRN COc1ccc(CCCCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1OC ZINC001456465432 1066592810 /nfs/dbraw/zinc/59/28/10/1066592810.db2.gz SDOCFEYSBCZKEZ-UHFFFAOYSA-N 0 0 459.546 4.653 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(F)cc2)o1 ZINC001361249742 1066593531 /nfs/dbraw/zinc/59/35/31/1066593531.db2.gz DDXMZXCTFBGCMG-UHFFFAOYSA-N 0 0 472.362 4.966 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCC[C@H]1c1ccccc1Br ZINC001445600582 1066593546 /nfs/dbraw/zinc/59/35/46/1066593546.db2.gz MOUTVDHLKRVUSX-NRFANRHFSA-N 0 0 457.368 4.857 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)s1 ZINC001361249711 1066593576 /nfs/dbraw/zinc/59/35/76/1066593576.db2.gz CBXLXFHUWXJTCT-GOSISDBHSA-N 0 0 477.428 4.519 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@H]2C)o1 ZINC001361249745 1066593608 /nfs/dbraw/zinc/59/36/08/1066593608.db2.gz DFOWPVXQWNHSJI-CRAIPNDOSA-N 0 0 459.388 4.918 20 0 JJADRN CO[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccccc1Cl ZINC001445599809 1066593731 /nfs/dbraw/zinc/59/37/31/1066593731.db2.gz WIUYVZOBEXGICY-RTBURBONSA-N 0 0 454.901 4.688 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@H]3c3ccccc3Br)c2N1 ZINC001445600589 1066594071 /nfs/dbraw/zinc/59/40/71/1066594071.db2.gz MPBIMKITLGZONT-XFBWCDHKSA-N 0 0 457.294 4.930 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC2CCC(C(C)(C)C)CC2)c(C)c1C ZINC001445603358 1066594133 /nfs/dbraw/zinc/59/41/33/1066594133.db2.gz YBHDJWXLIPVBJW-UHFFFAOYSA-N 0 0 450.689 4.866 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccccc1Br ZINC001445601042 1066594160 /nfs/dbraw/zinc/59/41/60/1066594160.db2.gz OIDRCKRONWEJKU-KRWDZBQOSA-N 0 0 458.324 4.564 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456478836 1066594146 /nfs/dbraw/zinc/59/41/46/1066594146.db2.gz NOZORNZBIUHXPE-YOEHRIQHSA-N 0 0 455.530 4.935 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCCO2)o1 ZINC001361249838 1066594542 /nfs/dbraw/zinc/59/45/42/1066594542.db2.gz HIMDXBOXALCHET-MRXNPFEDSA-N 0 0 463.351 4.954 20 0 JJADRN CCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)C(=O)OC ZINC001456479923 1066594582 /nfs/dbraw/zinc/59/45/82/1066594582.db2.gz ZMCGLDUZFGVNQU-MRXNPFEDSA-N 0 0 454.379 4.833 20 0 JJADRN COc1cc(CN2CC[C@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618851 1066595198 /nfs/dbraw/zinc/59/51/98/1066595198.db2.gz QMKWBJKJZPGJKQ-IBGZPJMESA-N 0 0 452.576 4.593 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3c(C)cccc3C)cc2)cc1 ZINC001456482496 1066595309 /nfs/dbraw/zinc/59/53/09/1066595309.db2.gz XJZZXIUDEAOBTG-UHFFFAOYSA-N 0 0 452.576 4.775 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361249921 1066595293 /nfs/dbraw/zinc/59/52/93/1066595293.db2.gz KLEBVCLIGVVSSI-CYBMUJFWSA-N 0 0 487.402 4.992 20 0 JJADRN CC(C)c1ccc(N(C)C(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC001445610387 1066595432 /nfs/dbraw/zinc/59/54/32/1066595432.db2.gz WJXQYFMERJNKBU-MRXNPFEDSA-N 0 0 459.384 4.703 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCC2)o1 ZINC001361250057 1066595732 /nfs/dbraw/zinc/59/57/32/1066595732.db2.gz PETSJSCIQXAWQK-UHFFFAOYSA-N 0 0 465.779 4.814 20 0 JJADRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001445620028 1066595843 /nfs/dbraw/zinc/59/58/43/1066595843.db2.gz FFIIEOQZBOUWHS-AWEZNQCLSA-N 0 0 459.315 4.954 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)c4ccc(Cl)cc4)C3)cc2)s1 ZINC001456483795 1066595856 /nfs/dbraw/zinc/59/58/56/1066595856.db2.gz DSXXRAWMTFGCLW-FQEVSTJZSA-N 0 0 452.963 4.916 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCO[C@H]2CCOC2)s1 ZINC001361250133 1066596152 /nfs/dbraw/zinc/59/61/52/1066596152.db2.gz RUZPJTPAKXPVNI-IBGZPJMESA-N 0 0 491.455 4.910 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(F)c2F)s1 ZINC001361250107 1066596241 /nfs/dbraw/zinc/59/62/41/1066596241.db2.gz QYWGQJBDALFFFB-DEOSSOPVSA-N 0 0 476.593 4.846 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2(O)CCC2)s1 ZINC001361250465 1066596709 /nfs/dbraw/zinc/59/67/09/1066596709.db2.gz XDHCCLUCTUFLKV-UHFFFAOYSA-N 0 0 453.431 4.690 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(O)c1 ZINC001445638496 1066596813 /nfs/dbraw/zinc/59/68/13/1066596813.db2.gz RVJWGWPQIPGOFG-SANMLTNESA-N 0 0 458.558 4.914 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361250484 1066597267 /nfs/dbraw/zinc/59/72/67/1066597267.db2.gz XQWQQLXPBXGAAH-YTTGMZPUSA-N 0 0 466.554 4.632 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc3ccccc3n2-c2ccccc2F)cc1 ZINC001361250694 1066597390 /nfs/dbraw/zinc/59/73/90/1066597390.db2.gz MTKFJZRJTQESHS-UHFFFAOYSA-N 0 0 451.523 4.528 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@H]2CCOC2)o1 ZINC001361251027 1066597859 /nfs/dbraw/zinc/59/78/59/1066597859.db2.gz GMDOLXRUVQQCMG-SFHVURJKSA-N 0 0 493.377 4.580 20 0 JJADRN CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)c1ccc(Cl)cc1 ZINC001456491402 1066598091 /nfs/dbraw/zinc/59/80/91/1066598091.db2.gz RXHNWJPWHFIWQU-LJQANCHMSA-N 0 0 450.988 4.656 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1)C(C)C)NC(=O)OC(C)(C)C ZINC001545977409 1066598330 /nfs/dbraw/zinc/59/83/30/1066598330.db2.gz LCVSDTJKDQXKPM-FQEVSTJZSA-N 0 0 483.592 4.593 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)Oc1ccccc1 ZINC001456492046 1066598376 /nfs/dbraw/zinc/59/83/76/1066598376.db2.gz JUWMSMXOOGUWES-BEFAXECRSA-N 0 0 452.473 4.855 20 0 JJADRN CC(C)c1ccccc1OCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001456493231 1066598482 /nfs/dbraw/zinc/59/84/82/1066598482.db2.gz WCCPFLJCYPCDNM-UHFFFAOYSA-N 0 0 452.864 4.872 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001456493573 1066598797 /nfs/dbraw/zinc/59/87/97/1066598797.db2.gz YLPSIZSEKPSDEV-GOSISDBHSA-N 0 0 456.011 4.651 20 0 JJADRN COC(=O)c1csc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 ZINC001445657750 1066598854 /nfs/dbraw/zinc/59/88/54/1066598854.db2.gz QORABUYQBNIEQM-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN COC(=O)c1csc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC001445657572 1066598995 /nfs/dbraw/zinc/59/89/95/1066598995.db2.gz QHJQOAIYCOBUQW-UHFFFAOYSA-N 0 0 455.923 4.756 20 0 JJADRN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001445656455 1066599087 /nfs/dbraw/zinc/59/90/87/1066599087.db2.gz QXDBYIMNMRKBMW-UHFFFAOYSA-N 0 0 459.365 4.860 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCC(=O)NC(C)(C)C)o1 ZINC001361251372 1066599097 /nfs/dbraw/zinc/59/90/97/1066599097.db2.gz PLCZOGZZCHXVJA-UHFFFAOYSA-N 0 0 474.403 4.550 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCSc1ccccc1Br ZINC001456494721 1066599363 /nfs/dbraw/zinc/59/93/63/1066599363.db2.gz QCKVJBZCAYBHLD-FQEVSTJZSA-N 0 0 459.450 4.987 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC001361251633 1066599386 /nfs/dbraw/zinc/59/93/86/1066599386.db2.gz ZWDWLKBSMSURQA-UHFFFAOYSA-N 0 0 457.456 4.867 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@@H]2CCCO2)o1 ZINC001361251552 1066599413 /nfs/dbraw/zinc/59/94/13/1066599413.db2.gz WPJKODXOEJDOQH-IBGZPJMESA-N 0 0 462.953 4.861 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361251528 1066599455 /nfs/dbraw/zinc/59/94/55/1066599455.db2.gz WASSMYQVXUUOPU-INIZCTEOSA-N 0 0 457.550 4.783 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCC2(O)CCOCC2)s1 ZINC001361251593 1066599494 /nfs/dbraw/zinc/59/94/94/1066599494.db2.gz YCLNAPXOMITAQE-UHFFFAOYSA-N 0 0 464.994 4.676 20 0 JJADRN Cc1cc(C)c2c(n1)sc(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c2-n1cccc1 ZINC001456495588 1066599481 /nfs/dbraw/zinc/59/94/81/1066599481.db2.gz SOHCEGIBEJMSLN-KRWDZBQOSA-N 0 0 454.596 4.833 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(F)cc2C(F)(F)F)s1 ZINC001361252642 1066599731 /nfs/dbraw/zinc/59/97/31/1066599731.db2.gz PACRXJXZLGNMPK-UHFFFAOYSA-N 0 0 462.476 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)CCCC[C@H]12 ZINC001445671633 1066599764 /nfs/dbraw/zinc/59/97/64/1066599764.db2.gz MAELJFGKUIAZMO-KGVIQGDOSA-N 0 0 457.398 4.713 20 0 JJADRN COc1cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)ccc1OCc1cscn1 ZINC001445668607 1066599986 /nfs/dbraw/zinc/59/99/86/1066599986.db2.gz GWACXXIAKDUSGO-KRWDZBQOSA-N 0 0 453.347 4.501 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1Br ZINC001456498045 1066600400 /nfs/dbraw/zinc/60/04/00/1066600400.db2.gz YODXNZCEGHGMHH-AWEZNQCLSA-N 0 0 454.324 4.596 20 0 JJADRN CCOc1c(Br)cc(C(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC001445675790 1066600418 /nfs/dbraw/zinc/60/04/18/1066600418.db2.gz JEBHKCKFERJEPS-SFHVURJKSA-N 0 0 450.373 4.617 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001361252880 1066600423 /nfs/dbraw/zinc/60/04/23/1066600423.db2.gz SFMXBKKVSYQPOP-LJQANCHMSA-N 0 0 468.627 4.746 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598190 1066600451 /nfs/dbraw/zinc/60/04/51/1066600451.db2.gz KKJRDVXGUXTEEX-HFZDXXHNSA-N 0 0 456.631 4.721 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3CCN(C(=O)OCC(C)C)CC3)s2)cc1 ZINC001456498459 1066601081 /nfs/dbraw/zinc/60/10/81/1066601081.db2.gz HNJILHMJRKDJAA-INIZCTEOSA-N 0 0 459.612 4.809 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C ZINC001361253749 1066601732 /nfs/dbraw/zinc/60/17/32/1066601732.db2.gz GSPUZXMSZRRYCH-OAHLLOKOSA-N 0 0 450.461 4.748 20 0 JJADRN C[C@H](O)C[C@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 ZINC001445679476 1066601776 /nfs/dbraw/zinc/60/17/76/1066601776.db2.gz ASWZVNHDBRJRHX-FUHWJXTLSA-N 0 0 458.352 4.906 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 ZINC001445680295 1066601902 /nfs/dbraw/zinc/60/19/02/1066601902.db2.gz DUPJTPALECZRHV-UHFFFAOYSA-N 0 0 453.633 4.952 20 0 JJADRN C[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1nc2ccccc2s1 ZINC001456500565 1066602426 /nfs/dbraw/zinc/60/24/26/1066602426.db2.gz JLMQDQNRCVQDER-HNNXBMFYSA-N 0 0 453.951 4.681 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC001445681162 1066602444 /nfs/dbraw/zinc/60/24/44/1066602444.db2.gz HDQDHLAVGHAJBV-UHFFFAOYSA-N 0 0 453.612 4.539 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCOC(C)(C)C)o1 ZINC001361254481 1066602433 /nfs/dbraw/zinc/60/24/33/1066602433.db2.gz KNEKNDXROAYOLS-UHFFFAOYSA-N 0 0 478.597 4.589 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC001361254849 1066602468 /nfs/dbraw/zinc/60/24/68/1066602468.db2.gz DDBTXSZXZBAGHB-JZXOWHBKSA-N 0 0 490.617 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361255346 1066602984 /nfs/dbraw/zinc/60/29/84/1066602984.db2.gz VPHWCRCYILKUEZ-RTWAWAEBSA-N 0 0 459.541 4.639 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnc(C)s2)o1 ZINC001361254975 1066603028 /nfs/dbraw/zinc/60/30/28/1066603028.db2.gz FMCQVBCRTHSVRW-SFHVURJKSA-N 0 0 486.642 4.744 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)s1 ZINC001361255284 1066603092 /nfs/dbraw/zinc/60/30/92/1066603092.db2.gz UFHFSLRVNBYIDE-INIZCTEOSA-N 0 0 466.533 4.578 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H](O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC001445685441 1066603116 /nfs/dbraw/zinc/60/31/16/1066603116.db2.gz YYYOCMBOWCTOKQ-WMZOPIPTSA-N 0 0 457.329 4.548 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)[C@H](C)CO1 ZINC001456503489 1066603692 /nfs/dbraw/zinc/60/36/92/1066603692.db2.gz IRSUGBLOEGPZCW-ZJSXRUAMSA-N 0 0 450.579 4.770 20 0 JJADRN COc1ccc(C[C@H](CO)CNC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1O ZINC001445688130 1066603899 /nfs/dbraw/zinc/60/38/99/1066603899.db2.gz ISRKZJROBKKKKR-KRWDZBQOSA-N 0 0 451.588 4.544 20 0 JJADRN O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456505067 1066604211 /nfs/dbraw/zinc/60/42/11/1066604211.db2.gz JFSAOSSIZDYRFP-UHFFFAOYSA-N 0 0 457.353 4.786 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001361256104 1066604230 /nfs/dbraw/zinc/60/42/30/1066604230.db2.gz XXVWFACWZKFSLD-MRXNPFEDSA-N 0 0 452.502 4.735 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)o1 ZINC001361255898 1066604289 /nfs/dbraw/zinc/60/42/89/1066604289.db2.gz SDXNDIXZSBRVFZ-IEBWSBKVSA-N 0 0 452.452 4.941 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)o1 ZINC001361256110 1066604362 /nfs/dbraw/zinc/60/43/62/1066604362.db2.gz YBROBYKYUAEYMH-SFHVURJKSA-N 0 0 497.587 4.602 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC001445690117 1066604276 /nfs/dbraw/zinc/60/42/76/1066604276.db2.gz VYELZMJCNCKUBQ-SJLPKXTDSA-N 0 0 458.484 4.832 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC001445690114 1066604380 /nfs/dbraw/zinc/60/43/80/1066604380.db2.gz VYELZMJCNCKUBQ-AEFFLSMTSA-N 0 0 458.484 4.832 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1nc2ccccc2s1 ZINC001456503830 1066604382 /nfs/dbraw/zinc/60/43/82/1066604382.db2.gz YRGSTIOVKNQNTG-GFCCVEGCSA-N 0 0 452.001 4.518 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001361256667 1066604962 /nfs/dbraw/zinc/60/49/62/1066604962.db2.gz FLDKSBZPMDTOQH-YADARESESA-N 0 0 459.055 4.900 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)C1 ZINC001361256805 1066605070 /nfs/dbraw/zinc/60/50/70/1066605070.db2.gz GETJGQYMOBTOIJ-LVXARBLLSA-N 0 0 452.551 4.670 20 0 JJADRN CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001456507229 1066605082 /nfs/dbraw/zinc/60/50/82/1066605082.db2.gz JEGLAIWDXXUYOS-OAQYLSRUSA-N 0 0 451.514 4.873 20 0 JJADRN C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361257066 1066605579 /nfs/dbraw/zinc/60/55/79/1066605579.db2.gz IYIQHCHLPMFHAC-UZLBHIALSA-N 0 0 452.904 4.678 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cnn1-c1ccccc1 ZINC001456509909 1066605585 /nfs/dbraw/zinc/60/55/85/1066605585.db2.gz URIAVAMIUMAYOU-QGZVFWFLSA-N 0 0 453.384 4.767 20 0 JJADRN CC(C)c1c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cnn1-c1ccccc1 ZINC001456509905 1066605661 /nfs/dbraw/zinc/60/56/61/1066605661.db2.gz URIAVAMIUMAYOU-KRWDZBQOSA-N 0 0 453.384 4.767 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)cc1 ZINC001445695480 1066605717 /nfs/dbraw/zinc/60/57/17/1066605717.db2.gz CZSJUCPQJAGHMO-HNNXBMFYSA-N 0 0 459.388 4.627 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258164 1066606956 /nfs/dbraw/zinc/60/69/56/1066606956.db2.gz TXFDFDQBBGLQFR-LJQANCHMSA-N 0 0 456.989 4.983 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC(F)(F)F)c2)C1 ZINC001456511074 1066607016 /nfs/dbraw/zinc/60/70/16/1066607016.db2.gz YCOASMJZBNFVOJ-HOTGVXAUSA-N 0 0 454.514 4.710 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456511982 1066607114 /nfs/dbraw/zinc/60/71/14/1066607114.db2.gz GIJPINLMKOADPD-UHFFFAOYSA-N 0 0 450.720 4.870 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258391 1066607601 /nfs/dbraw/zinc/60/76/01/1066607601.db2.gz WHUFCWBNSQCYCC-HNNXBMFYSA-N 0 0 451.369 4.712 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCc2ccc(Br)cc2)o1 ZINC001361258275 1066607612 /nfs/dbraw/zinc/60/76/12/1066607612.db2.gz REICEBKMWPUNTK-UHFFFAOYSA-N 0 0 466.383 4.807 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC001445706614 1066607631 /nfs/dbraw/zinc/60/76/31/1066607631.db2.gz WSYLRRBEIQXOHO-SFHVURJKSA-N 0 0 453.583 4.936 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258613 1066608469 /nfs/dbraw/zinc/60/84/69/1066608469.db2.gz YYIZVQRHXSOQOP-ZDUSSCGKSA-N 0 0 459.295 4.928 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CCCc2nnc(C)s2)s1 ZINC001361258582 1066608497 /nfs/dbraw/zinc/60/84/97/1066608497.db2.gz XWOVMJYHURGXEM-UHFFFAOYSA-N 0 0 452.653 4.976 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2=O)ccc1Br ZINC001361258550 1066608537 /nfs/dbraw/zinc/60/85/37/1066608537.db2.gz XUICUYUOPRLCBW-MRXNPFEDSA-N 0 0 457.368 4.978 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)C2([C@@H]3CCCCO3)CCC2)CC1 ZINC001456516261 1066609009 /nfs/dbraw/zinc/60/90/09/1066609009.db2.gz IXRMUIFDTLWHAH-QFIPXVFZSA-N 0 0 456.627 4.811 20 0 JJADRN CCn1nc(C(C)C)cc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456516548 1066609166 /nfs/dbraw/zinc/60/91/66/1066609166.db2.gz JDBKRYHOGKPIOB-UHFFFAOYSA-N 0 0 454.615 4.725 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001456518026 1066609873 /nfs/dbraw/zinc/60/98/73/1066609873.db2.gz RCNUUHNLPXQJBW-UHFFFAOYSA-N 0 0 453.901 4.880 20 0 JJADRN CCOc1ccc([C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001361260479 1066610431 /nfs/dbraw/zinc/61/04/31/1066610431.db2.gz MHRJFWWXOADDGK-INIZCTEOSA-N 0 0 451.972 4.831 20 0 JJADRN O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1Br ZINC001445719422 1066610526 /nfs/dbraw/zinc/61/05/26/1066610526.db2.gz IOHGMWBVHGDQOD-GOSISDBHSA-N 0 0 454.242 4.964 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)o1 ZINC001361260999 1066610982 /nfs/dbraw/zinc/61/09/82/1066610982.db2.gz DEHGANWLMLHGNI-KRWDZBQOSA-N 0 0 469.533 4.517 20 0 JJADRN CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCc2ccccc2OC)cc1 ZINC001445720876 1066611041 /nfs/dbraw/zinc/61/10/41/1066611041.db2.gz PMJWVCVSLHPPDH-UHFFFAOYSA-N 0 0 456.589 4.538 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC[C@H](O)C2)o1 ZINC001361260981 1066611072 /nfs/dbraw/zinc/61/10/72/1066611072.db2.gz CPONIQQVJUUMAG-HKUYNNGSSA-N 0 0 489.414 4.709 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cccn2)o1 ZINC001361260996 1066611080 /nfs/dbraw/zinc/61/10/80/1066611080.db2.gz CXEWDVCMAXZROH-UHFFFAOYSA-N 0 0 475.380 4.989 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3cc(Br)c(F)cc3C)C2)cc(OC)c1 ZINC001445721064 1066611067 /nfs/dbraw/zinc/61/10/67/1066611067.db2.gz BDZGMZBTNPXNBR-AWEZNQCLSA-N 0 0 451.336 4.631 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546083029 1066611590 /nfs/dbraw/zinc/61/15/90/1066611590.db2.gz HWOYWCZBOQMAIX-AUSIDOKSSA-N 0 0 483.579 4.534 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445725621 1066611645 /nfs/dbraw/zinc/61/16/45/1066611645.db2.gz UWAHMXJDFYOFAC-JOCHJYFZSA-N 0 0 451.979 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445726731 1066611676 /nfs/dbraw/zinc/61/16/76/1066611676.db2.gz WHEXDBCVYCRGJQ-ZMUKGBGYSA-N 0 0 452.595 4.805 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545978264 1066611746 /nfs/dbraw/zinc/61/17/46/1066611746.db2.gz ZWVMIVGMRMPWTQ-HXUWFJFHSA-N 0 0 481.645 4.916 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445727893 1066611809 /nfs/dbraw/zinc/61/18/09/1066611809.db2.gz OZLGGGWMKQCWBU-UHFFFAOYSA-N 0 0 452.551 4.769 20 0 JJADRN Cc1c(C(=O)NCc2ccc(Br)cc2N2CCOCC2)oc2c1c(C)ccc2C ZINC001445722677 1066611839 /nfs/dbraw/zinc/61/18/39/1066611839.db2.gz UPGFALOGONDNLB-UHFFFAOYSA-N 0 0 457.368 4.887 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC2([S@](C)=O)CCC2)s1 ZINC001361261165 1066612322 /nfs/dbraw/zinc/61/23/22/1066612322.db2.gz JPDDTTNBHXYFMO-HKBQPEDESA-N 0 0 479.071 4.818 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1C(F)(F)F ZINC001456522032 1066612416 /nfs/dbraw/zinc/61/24/16/1066612416.db2.gz WYTLCSBPLAXCAT-YWKIXLFMSA-N 0 0 450.501 4.942 20 0 JJADRN O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445729632 1066612601 /nfs/dbraw/zinc/61/26/01/1066612601.db2.gz ZUPBCEFHZDLHQW-VXKWHMMOSA-N 0 0 457.357 4.601 20 0 JJADRN CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(Br)o2)n1 ZINC001456525900 1066612852 /nfs/dbraw/zinc/61/28/52/1066612852.db2.gz VBDZXLDIBRXJPI-QNBIARANSA-N 0 0 453.402 4.537 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](F)C2)s1 ZINC001361261703 1066614236 /nfs/dbraw/zinc/61/42/36/1066614236.db2.gz HVLNEGGSVSWHNC-MSOLQXFVSA-N 0 0 459.591 4.724 20 0 JJADRN CC(=O)Nc1ccc(O)c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1 ZINC001445752075 1066614597 /nfs/dbraw/zinc/61/45/97/1066614597.db2.gz ZTBROMYZOLMALE-NRFANRHFSA-N 0 0 457.299 4.772 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccnc2)s1 ZINC001361261822 1066614885 /nfs/dbraw/zinc/61/48/85/1066614885.db2.gz JRJVDSXNZAAUIT-BGYRXZFFSA-N 0 0 482.654 4.693 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)c3[nH]c(=O)[nH]c(=O)c3N)cc2F)cc1 ZINC001456532171 1066614962 /nfs/dbraw/zinc/61/49/62/1066614962.db2.gz AAIVFCXFKXQKSQ-ZDUSSCGKSA-N 0 0 456.543 4.717 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456530675 1066614989 /nfs/dbraw/zinc/61/49/89/1066614989.db2.gz PKLQXSHUBGGXNZ-RBUKOAKNSA-N 0 0 451.405 4.676 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001445775902 1066615264 /nfs/dbraw/zinc/61/52/64/1066615264.db2.gz FDFGLQVVZVQXFB-MRXNPFEDSA-N 0 0 452.498 4.584 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C)s1 ZINC001361262025 1066615406 /nfs/dbraw/zinc/61/54/06/1066615406.db2.gz OQVABBNAMAFTJD-UHFFFAOYSA-N 0 0 469.998 4.856 20 0 JJADRN O=C(C[C@H](n1cccn1)C(F)(F)F)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001456533888 1066615410 /nfs/dbraw/zinc/61/54/10/1066615410.db2.gz HLMBEAWRHUBARE-FQEVSTJZSA-N 0 0 457.431 4.685 20 0 JJADRN COc1ccc(-n2c3ccccc3nc2NC(=O)Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC001456532841 1066615469 /nfs/dbraw/zinc/61/54/69/1066615469.db2.gz XAGBKJUIKFOZEJ-UHFFFAOYSA-N 0 0 453.445 4.825 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC[C@H]1c1ccc(C)o1 ZINC001456532599 1066615477 /nfs/dbraw/zinc/61/54/77/1066615477.db2.gz DEVPORFTDDTXHM-PMACEKPBSA-N 0 0 450.495 4.779 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361263400 1066616062 /nfs/dbraw/zinc/61/60/62/1066616062.db2.gz AMMMBHSUIWWLJS-BEFAXECRSA-N 0 0 493.555 4.721 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CCCc3cc(C)cc(C)c32)nnc1-c1ccccc1 ZINC001361262871 1066616087 /nfs/dbraw/zinc/61/60/87/1066616087.db2.gz CLUULQQDYNZCET-IBGZPJMESA-N 0 0 450.608 4.841 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)c1ccccc1C ZINC001361262564 1066616189 /nfs/dbraw/zinc/61/61/89/1066616189.db2.gz OAIIVTYFVCZJAT-NRFANRHFSA-N 0 0 459.468 4.932 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001456534483 1066616239 /nfs/dbraw/zinc/61/62/39/1066616239.db2.gz PNFWUAKXMTULRQ-DGDFFNOKSA-N 0 0 452.601 4.545 20 0 JJADRN O=C(C[C@@H](n1cccn1)C(F)(F)F)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001456533890 1066616251 /nfs/dbraw/zinc/61/62/51/1066616251.db2.gz HLMBEAWRHUBARE-HXUWFJFHSA-N 0 0 457.431 4.685 20 0 JJADRN O=C(c1ccn2cc(C(F)(F)F)nc2c1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456534147 1066616261 /nfs/dbraw/zinc/61/62/61/1066616261.db2.gz ZJJGPRPSLGQQIB-INIZCTEOSA-N 0 0 452.274 4.963 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001361263821 1066616601 /nfs/dbraw/zinc/61/66/01/1066616601.db2.gz MQNWORMDHGMQFO-FQEVSTJZSA-N 0 0 490.098 4.858 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](CC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361263420 1066616717 /nfs/dbraw/zinc/61/67/17/1066616717.db2.gz AUCFYPMODOXROX-GOSISDBHSA-N 0 0 481.563 4.587 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(C)(C)C)c(OCC2CC2)c1 ZINC001361263471 1066616731 /nfs/dbraw/zinc/61/67/31/1066616731.db2.gz CAJUYYCVEISKAY-UHFFFAOYSA-N 0 0 462.598 4.553 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2cccc(Br)c2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001456537615 1066617326 /nfs/dbraw/zinc/61/73/26/1066617326.db2.gz UPGMAUVQZAXNBP-MAUKXSAKSA-N 0 0 453.421 4.782 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CCc2cc(Br)c(Br)s2)C12CCC2 ZINC001456537360 1066617429 /nfs/dbraw/zinc/61/74/29/1066617429.db2.gz WATOBIOEOQBWEX-CHWSQXEVSA-N 0 0 451.224 4.670 20 0 JJADRN CO[C@@H](C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccc(Br)s1 ZINC001456537114 1066617479 /nfs/dbraw/zinc/61/74/79/1066617479.db2.gz SYPYGEKYRRETJI-OAHLLOKOSA-N 0 0 459.203 4.809 20 0 JJADRN COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)c1 ZINC001445792064 1066618153 /nfs/dbraw/zinc/61/81/53/1066618153.db2.gz RBISIIVYUSSAJY-AREMUKBSSA-N 0 0 456.542 4.999 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(F)cc(Br)c3)ccc2C)ccn1 ZINC001361265612 1066618045 /nfs/dbraw/zinc/61/80/45/1066618045.db2.gz DAXNMNBVPGURMH-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)/C=C\c3cnc(C(C)(C)C)s3)ccc2C)ccn1 ZINC001361266376 1066618618 /nfs/dbraw/zinc/61/86/18/1066618618.db2.gz SYVGODZBPNEWAY-HJWRWDBZSA-N 0 0 450.564 4.948 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@@H](O)c1c(F)cccc1F ZINC001445793240 1066618735 /nfs/dbraw/zinc/61/87/35/1066618735.db2.gz BNILLXZZNJTCRQ-NZQKXSOJSA-N 0 0 456.464 4.907 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc2)n1 ZINC001445795093 1066618763 /nfs/dbraw/zinc/61/87/63/1066618763.db2.gz ZCBOYPBDRAQXOH-QGZVFWFLSA-N 0 0 457.317 4.876 20 0 JJADRN C[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC001445796375 1066619322 /nfs/dbraw/zinc/61/93/22/1066619322.db2.gz HBBXZIAIOCZION-FKIZINRSSA-N 0 0 456.739 4.833 20 0 JJADRN C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)[C@H](O)c1c(F)cccc1Cl ZINC001445796382 1066619405 /nfs/dbraw/zinc/61/94/05/1066619405.db2.gz HBBXZIAIOCZION-ODXCJYRJSA-N 0 0 456.739 4.833 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)cc21 ZINC001445797489 1066619437 /nfs/dbraw/zinc/61/94/37/1066619437.db2.gz HSLZYRUJIYMAMI-DYBLOJMWSA-N 0 0 455.711 4.583 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)c2ccccc2)cn1 ZINC001361267709 1066619788 /nfs/dbraw/zinc/61/97/88/1066619788.db2.gz CCXXOSLRADQWFV-INIZCTEOSA-N 0 0 451.372 4.985 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)c2ccccc2)cn1 ZINC001361267710 1066619988 /nfs/dbraw/zinc/61/99/88/1066619988.db2.gz CCXXOSLRADQWFV-MRXNPFEDSA-N 0 0 451.372 4.985 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC001445797788 1066619900 /nfs/dbraw/zinc/61/99/00/1066619900.db2.gz IGUUZNSBWMODME-ADLMAVQZSA-N 0 0 456.739 4.520 20 0 JJADRN Cc1cc(C(=O)NC[C@H](O)COCC2CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001445797524 1066620002 /nfs/dbraw/zinc/62/00/02/1066620002.db2.gz IYFDXIMESWNSRH-KXBFYZLASA-N 0 0 451.394 4.992 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 ZINC001456541059 1066620058 /nfs/dbraw/zinc/62/00/58/1066620058.db2.gz DXVLRVASRQHJDM-UHFFFAOYSA-N 0 0 457.372 4.533 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)[C@H](O)c1c(F)cccc1F ZINC001445798474 1066620071 /nfs/dbraw/zinc/62/00/71/1066620071.db2.gz GLTCUIDNIHXOQV-GCJKJVERSA-N 0 0 455.461 4.928 20 0 JJADRN O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1Br ZINC001445800987 1066620636 /nfs/dbraw/zinc/62/06/36/1066620636.db2.gz JXYLNGSIHXHBGU-CQSZACIVSA-N 0 0 456.180 4.950 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1F ZINC001361268323 1066621364 /nfs/dbraw/zinc/62/13/64/1066621364.db2.gz JSWUJSYWPXDVEC-SFHVURJKSA-N 0 0 467.536 4.553 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC001445807326 1066621337 /nfs/dbraw/zinc/62/13/37/1066621337.db2.gz QKYMQCZAWMWGMY-LJQANCHMSA-N 0 0 451.876 4.684 20 0 JJADRN COc1cccc([C@H](O)CNC(=O)c2ccc(COc3ccccc3Br)cc2)c1 ZINC001445806972 1066621358 /nfs/dbraw/zinc/62/13/58/1066621358.db2.gz WGTAUVWECKEDHS-OAQYLSRUSA-N 0 0 456.336 4.500 20 0 JJADRN C[C@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](O)c1c(F)cccc1Cl ZINC001445805773 1066621389 /nfs/dbraw/zinc/62/13/89/1066621389.db2.gz PFXWOYQSSRNFNT-LPLGYCIKSA-N 0 0 459.867 4.685 20 0 JJADRN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3sc(-c4ccc(C)c(C(F)(F)F)c4)nc3C)[C@@H]2C1 ZINC001456545840 1066621800 /nfs/dbraw/zinc/62/18/00/1066621800.db2.gz BECLJHODZLHECK-DLTWYDFYSA-N 0 0 452.498 4.763 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)nc1 ZINC001361268564 1066621941 /nfs/dbraw/zinc/62/19/41/1066621941.db2.gz UKCGPWCIJDEEFO-IBGZPJMESA-N 0 0 480.016 4.810 20 0 JJADRN CC(C)CN(CC(=O)N1CCc2c(Cl)ccc(Br)c2C1)C(=O)OC(C)(C)C ZINC001456546407 1066621966 /nfs/dbraw/zinc/62/19/66/1066621966.db2.gz DUWHHVBCDFATOJ-UHFFFAOYSA-N 0 0 459.812 4.880 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001361269042 1066622622 /nfs/dbraw/zinc/62/26/22/1066622622.db2.gz ZZRGAJUFQQNYCJ-AABGKKOBSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445815097 1066622623 /nfs/dbraw/zinc/62/26/23/1066622623.db2.gz KSUROXJQRRLVBV-AGKHESDQSA-N 0 0 451.272 4.878 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445817877 1066622674 /nfs/dbraw/zinc/62/26/74/1066622674.db2.gz MHZSLWDBBBRNMX-ZUOKHONESA-N 0 0 454.350 4.566 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccccc1CSC1=NCCS1 ZINC001445812758 1066622680 /nfs/dbraw/zinc/62/26/80/1066622680.db2.gz DZXJTFJVPXQRRB-QGZVFWFLSA-N 0 0 451.658 4.836 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)o1 ZINC001456547612 1066622666 /nfs/dbraw/zinc/62/26/66/1066622666.db2.gz ZIZHAXSTYRIRJW-UXBLZVDNSA-N 0 0 451.479 4.766 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)o1 ZINC001456547607 1066622697 /nfs/dbraw/zinc/62/26/97/1066622697.db2.gz ZIZHAXSTYRIRJW-POHAHGRESA-N 0 0 451.479 4.766 20 0 JJADRN CN(c1ccccc1)C1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001361269317 1066622878 /nfs/dbraw/zinc/62/28/78/1066622878.db2.gz FWKKOILDUMYOJB-UHFFFAOYSA-N 0 0 455.602 4.800 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361269356 1066622904 /nfs/dbraw/zinc/62/29/04/1066622904.db2.gz HXCKOIKFAJWHKV-FPOVZHCZSA-N 0 0 456.542 4.873 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCc2cccs2)cn1 ZINC001361269098 1066622979 /nfs/dbraw/zinc/62/29/79/1066622979.db2.gz XPNUHUCVWGVMQC-UHFFFAOYSA-N 0 0 457.401 4.528 20 0 JJADRN CN(c1ccccc1)C1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001361269366 1066623013 /nfs/dbraw/zinc/62/30/13/1066623013.db2.gz IFXDFCKBFASZPQ-QHCPKHFHSA-N 0 0 455.574 4.561 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC001445816261 1066623066 /nfs/dbraw/zinc/62/30/66/1066623066.db2.gz ZREUUOQNERIJGY-AWEZNQCLSA-N 0 0 456.180 4.950 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H](O)c1ccccc1F ZINC001445818023 1066623137 /nfs/dbraw/zinc/62/31/37/1066623137.db2.gz UCEPJEMEYOAHOL-HZPDHXFCSA-N 0 0 452.217 4.988 20 0 JJADRN Cc1cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)nn1-c1ccc(Br)cc1 ZINC001361269851 1066623766 /nfs/dbraw/zinc/62/37/66/1066623766.db2.gz NNTFDJNGFXQGMY-UHFFFAOYSA-N 0 0 453.384 4.684 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N(Cc1ccccc1)C1CC1)C2 ZINC001456553923 1066623725 /nfs/dbraw/zinc/62/37/25/1066623725.db2.gz PDTRDQRLRLWGSM-OAQYLSRUSA-N 0 0 452.551 4.561 20 0 JJADRN O=Cc1cc(Br)cc(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)c1 ZINC001456554195 1066623788 /nfs/dbraw/zinc/62/37/88/1066623788.db2.gz PANZALAYZBALFK-UHFFFAOYSA-N 0 0 457.549 4.876 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c1C ZINC001456553791 1066623850 /nfs/dbraw/zinc/62/38/50/1066623850.db2.gz FBIOXGBEKRNPOJ-HNNXBMFYSA-N 0 0 456.266 4.580 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC001361269524 1066623873 /nfs/dbraw/zinc/62/38/73/1066623873.db2.gz KPSPALVCRSDERB-NDEPHWFRSA-N 0 0 457.618 4.651 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001456553717 1066623904 /nfs/dbraw/zinc/62/39/04/1066623904.db2.gz SWLHQAFUSGXNJW-ALOPSCKCSA-N 0 0 451.658 4.722 20 0 JJADRN C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H](O)c1c(F)cccc1Cl ZINC001445820539 1066623949 /nfs/dbraw/zinc/62/39/49/1066623949.db2.gz ZXUKGQDPFVDAQR-MQWCLQQTSA-N 0 0 458.608 4.650 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(SC)c(Cl)c1)C2=O ZINC001361270573 1066624302 /nfs/dbraw/zinc/62/43/02/1066624302.db2.gz XUGZJYSVFBQMNU-UHFFFAOYSA-N 0 0 452.020 4.917 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)cc2cccnc21 ZINC001445831820 1066624305 /nfs/dbraw/zinc/62/43/05/1066624305.db2.gz WWMGJEMSKDNSAM-MRXNPFEDSA-N 0 0 450.377 4.811 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1 ZINC001456561887 1066625774 /nfs/dbraw/zinc/62/57/74/1066625774.db2.gz OCWPKJJAFHXRSH-FQEVSTJZSA-N 0 0 453.589 4.700 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC(F)(F)CC2)c(=O)n1C ZINC001361271869 1066625640 /nfs/dbraw/zinc/62/56/40/1066625640.db2.gz DZMBSLZZAAACTM-UHFFFAOYSA-N 0 0 485.579 4.661 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001445850768 1066626442 /nfs/dbraw/zinc/62/64/42/1066626442.db2.gz KYUWBCBLMSUYHN-UHFFFAOYSA-N 0 0 451.548 4.988 20 0 JJADRN C[S@](=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 ZINC001456564541 1066626435 /nfs/dbraw/zinc/62/64/35/1066626435.db2.gz KDZFMSWBJDMYDP-NDEPHWFRSA-N 0 0 457.349 4.691 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3ccccc3)s1)CC2 ZINC001456564147 1066626441 /nfs/dbraw/zinc/62/64/41/1066626441.db2.gz TXFISELGKJBPSV-IBGZPJMESA-N 0 0 456.608 4.951 20 0 JJADRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001361272294 1066626749 /nfs/dbraw/zinc/62/67/49/1066626749.db2.gz GSKMCVTYVVEKJO-UHFFFAOYSA-N 0 0 453.296 4.647 20 0 JJADRN CCc1csc(-n2cc(C(=O)N(CC(F)(F)F)c3ccc(Br)cc3)cn2)n1 ZINC001456566346 1066626934 /nfs/dbraw/zinc/62/69/34/1066626934.db2.gz XULUJBUEMPKUFS-UHFFFAOYSA-N 0 0 459.291 4.863 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)C2 ZINC001445858944 1066626959 /nfs/dbraw/zinc/62/69/59/1066626959.db2.gz APLKGGFRJHFHTP-DNQXCXABSA-N 0 0 455.476 4.944 20 0 JJADRN COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)N2CC3(CCC3)C2)cc1OC ZINC001445857554 1066627071 /nfs/dbraw/zinc/62/70/71/1066627071.db2.gz UGTVTOPNMLUBRY-WQRHYEAKSA-N 0 0 459.489 4.867 20 0 JJADRN CC(C)CCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC001445857243 1066627112 /nfs/dbraw/zinc/62/71/12/1066627112.db2.gz ARCAKNVPKNBBSF-IBGZPJMESA-N 0 0 454.398 4.873 20 0 JJADRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(F)c1I ZINC001361272706 1066627560 /nfs/dbraw/zinc/62/75/60/1066627560.db2.gz JKIPSLKUIGNAKA-UHFFFAOYSA-N 0 0 450.255 4.522 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)F)c(O[C@@H]2CCOC2)c1 ZINC001361272755 1066627682 /nfs/dbraw/zinc/62/76/82/1066627682.db2.gz PKBYJVCBMDCDJV-GOSISDBHSA-N 0 0 477.943 4.609 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546083377 1066627914 /nfs/dbraw/zinc/62/79/14/1066627914.db2.gz MOMOKVBVLATHKK-QFBILLFUSA-N 0 0 491.352 4.680 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC001445864818 1066628344 /nfs/dbraw/zinc/62/83/44/1066628344.db2.gz QPQCEJNGOULTAP-OAHLLOKOSA-N 0 0 455.338 4.905 20 0 JJADRN C[C@]1(c2ccccc2)CN(C(=O)Cc2ccc(Br)c(Br)c2)CCO1 ZINC001445866861 1066628444 /nfs/dbraw/zinc/62/84/44/1066628444.db2.gz LXAFHJPJMAUSCL-LJQANCHMSA-N 0 0 453.174 4.528 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCN2CCOC(C)(C)C2)s1 ZINC001361273252 1066628830 /nfs/dbraw/zinc/62/88/30/1066628830.db2.gz PPRPRCAIVSRMAM-UHFFFAOYSA-N 0 0 491.608 4.512 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cn1 ZINC001361273239 1066628978 /nfs/dbraw/zinc/62/89/78/1066628978.db2.gz XBJLFGJDNYVIMH-UGSOOPFHSA-N 0 0 469.870 4.645 20 0 JJADRN CCc1c(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001456572428 1066629054 /nfs/dbraw/zinc/62/90/54/1066629054.db2.gz XULSKLSWZJGTEE-MWTRTKDXSA-N 0 0 456.974 4.776 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(CC(F)F)CC2)cn1 ZINC001361273311 1066629432 /nfs/dbraw/zinc/62/94/32/1066629432.db2.gz XTWKXHDGKCOVSY-UHFFFAOYSA-N 0 0 484.595 4.509 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCOCC2CC2)cc1 ZINC001361273357 1066629520 /nfs/dbraw/zinc/62/95/20/1066629520.db2.gz ROJARBIURUYKRE-UHFFFAOYSA-N 0 0 461.429 4.989 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N(CCc2ccccc2)c2ccc(OC)cc2)CC1=O ZINC001456576451 1066629453 /nfs/dbraw/zinc/62/94/53/1066629453.db2.gz ILGIOPZHQALZNQ-JOCHJYFZSA-N 0 0 458.558 4.723 20 0 JJADRN C[C@H]1CN(C(=O)c2nscc2Br)c2ccccc2N(Cc2ccccc2)C1=O ZINC001361273619 1066630207 /nfs/dbraw/zinc/63/02/07/1066630207.db2.gz SZNFCTAGVVTQMR-AWEZNQCLSA-N 0 0 456.365 4.735 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCS[C@H](C)[C@@H]2C)cn1 ZINC001361273519 1066630226 /nfs/dbraw/zinc/63/02/26/1066630226.db2.gz SOGSXKVUQSXZJG-LSDHHAIUSA-N 0 0 476.419 4.929 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)s2)cc1 ZINC001361274044 1066630260 /nfs/dbraw/zinc/63/02/60/1066630260.db2.gz BETKVEJCEMYKFD-UHFFFAOYSA-N 0 0 455.555 4.999 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)C[C@H](c2ccsc2)O1 ZINC001445883986 1066630389 /nfs/dbraw/zinc/63/03/89/1066630389.db2.gz DXQAFYBPQNZJQM-ZNOIYHFQSA-N 0 0 452.523 4.581 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001361274293 1066630783 /nfs/dbraw/zinc/63/07/83/1066630783.db2.gz CMDXFEGGUIDVRI-ICSRJNTNSA-N 0 0 482.654 4.888 20 0 JJADRN CCCC[C@H](COC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001456580644 1066630982 /nfs/dbraw/zinc/63/09/82/1066630982.db2.gz ARFUAZYXIJTHNR-YMVVMYQSSA-N 0 0 452.595 4.809 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)C1 ZINC001456580257 1066631002 /nfs/dbraw/zinc/63/10/02/1066631002.db2.gz AZLJLKYOIACMFR-DEOSSOPVSA-N 0 0 450.576 4.587 20 0 JJADRN CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC001445888142 1066631119 /nfs/dbraw/zinc/63/11/19/1066631119.db2.gz HVDILUGMKRGDIX-HXUWFJFHSA-N 0 0 451.592 4.615 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccc(Br)cc2Cl)cc1 ZINC001456581633 1066631722 /nfs/dbraw/zinc/63/17/22/1066631722.db2.gz CNXVOWMCQIVESM-UHFFFAOYSA-N 0 0 458.743 4.704 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001456581824 1066631749 /nfs/dbraw/zinc/63/17/49/1066631749.db2.gz DAVKEAOJPCNRHM-URXFXBBRSA-N 0 0 453.579 4.798 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979575 1066631765 /nfs/dbraw/zinc/63/17/65/1066631765.db2.gz DXPLVHCWSXSNOB-QUCCMNQESA-N 0 0 474.675 4.530 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCC(F)(F)F)no1 ZINC001361275070 1066632080 /nfs/dbraw/zinc/63/20/80/1066632080.db2.gz MWQWRJGFFRQCSA-UHFFFAOYSA-N 0 0 472.471 4.571 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361275301 1066632258 /nfs/dbraw/zinc/63/22/58/1066632258.db2.gz OXYOSQBKXFKBIG-IAGOWNOFSA-N 0 0 477.556 4.968 20 0 JJADRN NC(=O)N[C@H](CC(=O)N1CCC[C@@H](Nc2ccccc2)C1)c1cccc(Oc2ccccc2)c1 ZINC001445898677 1066632436 /nfs/dbraw/zinc/63/24/36/1066632436.db2.gz DRZMYSLEHQXERR-RCZVLFRGSA-N 0 0 458.562 4.682 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001361275377 1066632880 /nfs/dbraw/zinc/63/28/80/1066632880.db2.gz QRVCPSNURUKZSP-GOSISDBHSA-N 0 0 484.670 4.831 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[C@@H](Nc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001445904944 1066633033 /nfs/dbraw/zinc/63/30/33/1066633033.db2.gz UPMPVIURIKBBGT-FUHWJXTLSA-N 0 0 456.637 4.739 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC001445905265 1066633055 /nfs/dbraw/zinc/63/30/55/1066633055.db2.gz DXHOWHKLQSWXEH-UHFFFAOYSA-N 0 0 457.552 4.787 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1cccc2ccccc21 ZINC001445905739 1066633087 /nfs/dbraw/zinc/63/30/87/1066633087.db2.gz FRGKZWVNKFLICR-UHFFFAOYSA-N 0 0 453.608 4.873 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001361276091 1066633559 /nfs/dbraw/zinc/63/35/59/1066633559.db2.gz TYMDKNIKUJXLLM-MRXNPFEDSA-N 0 0 451.910 4.992 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586056 1066633764 /nfs/dbraw/zinc/63/37/64/1066633764.db2.gz HRHYGGQIKNOEOQ-JJNFEJQSSA-N 0 0 451.586 4.976 20 0 JJADRN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3C)cc2)CC1 ZINC001361276968 1066634065 /nfs/dbraw/zinc/63/40/65/1066634065.db2.gz MLRUCMKZWRAVHM-UHFFFAOYSA-N 0 0 457.574 4.746 20 0 JJADRN CC[C@@H](CNC(=O)Cc1ccc(OC)c(OC(F)F)c1)Cc1cccc(Br)c1 ZINC001456588179 1066634457 /nfs/dbraw/zinc/63/44/57/1066634457.db2.gz ABMUTCQGQATXIG-CQSZACIVSA-N 0 0 456.327 4.987 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361277521 1066634986 /nfs/dbraw/zinc/63/49/86/1066634986.db2.gz WSESGQKUHKDLCI-TZIWHRDSSA-N 0 0 464.614 4.760 20 0 JJADRN O=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445919529 1066635077 /nfs/dbraw/zinc/63/50/77/1066635077.db2.gz LBNUMVWWGBIGHN-GOSISDBHSA-N 0 0 459.464 4.669 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445918549 1066635081 /nfs/dbraw/zinc/63/50/81/1066635081.db2.gz IDTPCAAXDZSWCZ-AWEZNQCLSA-N 0 0 456.511 4.660 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361278171 1066635277 /nfs/dbraw/zinc/63/52/77/1066635277.db2.gz PLHZUPAYGQBPFN-IYBDPMFKSA-N 0 0 496.484 4.760 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361278135 1066635328 /nfs/dbraw/zinc/63/53/28/1066635328.db2.gz OOTHXTUOFBRHCA-WOJBJXKFSA-N 0 0 494.615 4.884 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361278304 1066635413 /nfs/dbraw/zinc/63/54/13/1066635413.db2.gz SKESLVFDZOQXAE-KNQAVFIVSA-N 0 0 453.631 4.950 20 0 JJADRN CCCN(C(=O)Cc1c(C)nn(-c2ccccn2)c1C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456592249 1066635656 /nfs/dbraw/zinc/63/56/56/1066635656.db2.gz MFPSOAXPYZRCPB-MHZLTWQESA-N 0 0 457.553 4.989 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 ZINC001445926107 1066635711 /nfs/dbraw/zinc/63/57/11/1066635711.db2.gz HHYIYWCZTZRNMK-HHHXNRCGSA-N 0 0 458.602 4.985 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)C(F)F ZINC001445929453 1066636144 /nfs/dbraw/zinc/63/61/44/1066636144.db2.gz OFYXUEMEVYOEJY-INIZCTEOSA-N 0 0 450.448 4.960 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc1 ZINC001445928906 1066636160 /nfs/dbraw/zinc/63/61/60/1066636160.db2.gz JCCWYKJOEKDECB-GHTZIAJQSA-N 0 0 452.624 4.566 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1)OC ZINC001545979744 1066636247 /nfs/dbraw/zinc/63/62/47/1066636247.db2.gz HPMRWHXACGOMHI-QFIPXVFZSA-N 0 0 480.016 4.667 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)Cc2nc3ccccc3s2)cc1 ZINC001445928909 1066636268 /nfs/dbraw/zinc/63/62/68/1066636268.db2.gz JCCWYKJOEKDECB-NQIIRXRSSA-N 0 0 452.624 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@H]2SCCc3ccccc32)(c2ccccc2)C1 ZINC001361279446 1066636760 /nfs/dbraw/zinc/63/67/60/1066636760.db2.gz WNYSEUUKKKEMDG-GJZUVCINSA-N 0 0 452.620 4.712 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC001361279299 1066636783 /nfs/dbraw/zinc/63/67/83/1066636783.db2.gz SNDACWSAHYXYLQ-UHFFFAOYSA-N 0 0 454.390 4.859 20 0 JJADRN CN(C(=O)c1ccc2c(c1)C(=O)NCCO2)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001361279515 1066636805 /nfs/dbraw/zinc/63/68/05/1066636805.db2.gz WWDNFPFKEUQWTO-UHFFFAOYSA-N 0 0 455.341 4.977 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1c(F)cccc1F ZINC001456598805 1066638073 /nfs/dbraw/zinc/63/80/73/1066638073.db2.gz XSGVEYDHVSBDEM-DNQXCXABSA-N 0 0 452.501 4.606 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)c1 ZINC001445941337 1066638110 /nfs/dbraw/zinc/63/81/10/1066638110.db2.gz WBOHYPGVKNBLIC-YHYVQYDKSA-N 0 0 454.521 4.578 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2nccs2)s1 ZINC001361280777 1066638093 /nfs/dbraw/zinc/63/80/93/1066638093.db2.gz OFXWOPYIESCEKS-QGZVFWFLSA-N 0 0 488.683 4.904 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361280443 1066638136 /nfs/dbraw/zinc/63/81/36/1066638136.db2.gz FWSIEUHUCIEYFO-NRFANRHFSA-N 0 0 453.631 4.986 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361280453 1066638161 /nfs/dbraw/zinc/63/81/61/1066638161.db2.gz GEIQFKSGLBKYNE-UHFFFAOYSA-N 0 0 493.574 4.538 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456600561 1066638743 /nfs/dbraw/zinc/63/87/43/1066638743.db2.gz FDXPAENOLRJHML-IEZKXTBUSA-N 0 0 452.595 4.938 20 0 JJADRN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC001456603000 1066639242 /nfs/dbraw/zinc/63/92/42/1066639242.db2.gz MAGGIKHZCWYDME-NRFANRHFSA-N 0 0 456.652 4.736 20 0 JJADRN CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc(I)cc3Cl)c2O1 ZINC001456603049 1066639374 /nfs/dbraw/zinc/63/93/74/1066639374.db2.gz IXRHTFAVNIPSMD-HNNXBMFYSA-N 0 0 457.695 4.791 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001361281507 1066639421 /nfs/dbraw/zinc/63/94/21/1066639421.db2.gz GPJPOOAOEMCPGL-KRWDZBQOSA-N 0 0 489.686 4.815 20 0 JJADRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC001445958650 1066640222 /nfs/dbraw/zinc/64/02/22/1066640222.db2.gz LMGJALAAZSUQAY-BGYRXZFFSA-N 0 0 457.452 4.712 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC001456605941 1066640894 /nfs/dbraw/zinc/64/08/94/1066640894.db2.gz LOFQRUTZMJJAQY-DLBZAZTESA-N 0 0 456.391 4.658 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(C)C)NC(=O)OC(C)(C)C ZINC001545980125 1066641030 /nfs/dbraw/zinc/64/10/30/1066641030.db2.gz PCEAJTOPCUXJPB-IBGZPJMESA-N 0 0 468.602 4.996 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445987344 1066641672 /nfs/dbraw/zinc/64/16/72/1066641672.db2.gz DNKHKIXHAMVLPJ-KXBFYZLASA-N 0 0 453.421 4.970 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445987325 1066641685 /nfs/dbraw/zinc/64/16/85/1066641685.db2.gz DNKHKIXHAMVLPJ-BEFAXECRSA-N 0 0 453.421 4.970 20 0 JJADRN O=C(c1ccc(Br)[nH]c1=O)N(Cc1ccccc1Br)C1CCCC1 ZINC001445973025 1066641732 /nfs/dbraw/zinc/64/17/32/1066641732.db2.gz RQTLXOYVYLYLLQ-UHFFFAOYSA-N 0 0 454.162 4.897 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)CC[C@H]1CC1(Cl)Cl)CCC2 ZINC001361284079 1066642342 /nfs/dbraw/zinc/64/23/42/1066642342.db2.gz LJYPMEDSLKSQBC-HNNXBMFYSA-N 0 0 452.334 4.898 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001456609691 1066642265 /nfs/dbraw/zinc/64/22/65/1066642265.db2.gz PZCONNLPZXBBIL-QINHECLXSA-N 0 0 456.391 4.586 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC001445987638 1066642605 /nfs/dbraw/zinc/64/26/05/1066642605.db2.gz PFPKOLXFCWZGHV-QGZVFWFLSA-N 0 0 454.571 4.511 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc(Cl)cc4ccccc43)CC2)c(C)c1 ZINC001456610592 1066642945 /nfs/dbraw/zinc/64/29/45/1066642945.db2.gz YLNAIYYHQZLXIV-IBGZPJMESA-N 0 0 450.966 4.862 20 0 JJADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC(C)(C)C2)c(F)c1 ZINC001361285068 1066643721 /nfs/dbraw/zinc/64/37/21/1066643721.db2.gz PGMDEVSYRQWTQD-OAQYLSRUSA-N 0 0 487.620 4.709 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C)C(C)(C)C2)c(N2CCOCC2)c1 ZINC001361285038 1066643797 /nfs/dbraw/zinc/64/37/97/1066643797.db2.gz OQZGMOQESRLUQS-OAQYLSRUSA-N 0 0 453.675 4.932 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361285578 1066644412 /nfs/dbraw/zinc/64/44/12/1066644412.db2.gz CQQOGYOSOHKVPQ-DHIUTWEWSA-N 0 0 467.658 4.963 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001446003997 1066644785 /nfs/dbraw/zinc/64/47/85/1066644785.db2.gz VBUWNQASCYGLRN-AWEZNQCLSA-N 0 0 457.324 4.703 20 0 JJADRN O=C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(CCO)cc1 ZINC001446012207 1066644860 /nfs/dbraw/zinc/64/48/60/1066644860.db2.gz JMVXCSBBBABARV-UHFFFAOYSA-N 0 0 458.558 4.869 20 0 JJADRN O=C(CCSCc1ccccc1)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446005855 1066645101 /nfs/dbraw/zinc/64/51/01/1066645101.db2.gz RWHTUJRFZKAFGS-UHFFFAOYSA-N 0 0 458.580 4.566 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1ccc(I)c(Cl)c1 ZINC001456615785 1066644880 /nfs/dbraw/zinc/64/48/80/1066644880.db2.gz FBXVWDHQPGPRTQ-GFCCVEGCSA-N 0 0 450.107 4.822 20 0 JJADRN Cc1ccc(-c2ccsc2C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001456615599 1066645096 /nfs/dbraw/zinc/64/50/96/1066645096.db2.gz PDUMRCBZGKUHJQ-UHFFFAOYSA-N 0 0 456.608 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)CC1 ZINC001456616522 1066645723 /nfs/dbraw/zinc/64/57/23/1066645723.db2.gz FTMTUYXHDMHXEW-SFHVURJKSA-N 0 0 453.583 4.830 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)oc21 ZINC001446015723 1066645650 /nfs/dbraw/zinc/64/56/50/1066645650.db2.gz OZQKYYGBGSAMKG-CVEARBPZSA-N 0 0 450.354 4.530 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC001361287168 1066645714 /nfs/dbraw/zinc/64/57/14/1066645714.db2.gz CWDKTNJAFPHMSB-XIFFEERXSA-N 0 0 457.599 4.916 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCc1csc(-c2ccccc2)n1 ZINC001446012971 1066645888 /nfs/dbraw/zinc/64/58/88/1066645888.db2.gz FDGMCDSEOOBAKL-UHFFFAOYSA-N 0 0 455.992 4.767 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001446016414 1066645896 /nfs/dbraw/zinc/64/58/96/1066645896.db2.gz RDUORTLUOHYGFU-OAHLLOKOSA-N 0 0 459.450 4.711 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC001361287021 1066645827 /nfs/dbraw/zinc/64/58/27/1066645827.db2.gz YNZPAQANODPVMV-RBUKOAKNSA-N 0 0 458.521 4.758 20 0 JJADRN CC[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC ZINC001361288475 1066646196 /nfs/dbraw/zinc/64/61/96/1066646196.db2.gz GTCSRLAUAKAFEJ-AVRDEDQJSA-N 0 0 450.608 4.608 20 0 JJADRN C[C@@H]1CN(C(=O)CCCc2ccc(Br)cc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456618782 1066646271 /nfs/dbraw/zinc/64/62/71/1066646271.db2.gz KOUWJLNLNPFOIW-SJLPKXTDSA-N 0 0 453.421 4.781 20 0 JJADRN C[C@H]1CN(C(=O)CCCc2ccc(Br)cc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456618778 1066646392 /nfs/dbraw/zinc/64/63/92/1066646392.db2.gz KOUWJLNLNPFOIW-FUHWJXTLSA-N 0 0 453.421 4.781 20 0 JJADRN Cc1ccc(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c(OC(C)(C)C)c1 ZINC001446017676 1066646304 /nfs/dbraw/zinc/64/63/04/1066646304.db2.gz VPVBLDHSOIVWRU-GOSISDBHSA-N 0 0 456.587 4.550 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598446 1066646254 /nfs/dbraw/zinc/64/62/54/1066646254.db2.gz NGCZLPRTDVTMJN-LMTWLMQPSA-N 0 0 456.631 4.577 20 0 JJADRN COc1cc(C(=O)NCC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)ccc1OC(F)F ZINC001446016188 1066646455 /nfs/dbraw/zinc/64/64/55/1066646455.db2.gz IJTDKVFNAQNLHA-RPAADVPWSA-N 0 0 458.505 4.511 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001446019286 1066646477 /nfs/dbraw/zinc/64/64/77/1066646477.db2.gz YPXWNIRKQHCQFF-CQSZACIVSA-N 0 0 454.942 4.599 20 0 JJADRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC001446018871 1066646522 /nfs/dbraw/zinc/64/65/22/1066646522.db2.gz SXNSQHHTWIVRLF-UNMCSNQZSA-N 0 0 457.979 4.945 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361287908 1066646434 /nfs/dbraw/zinc/64/64/34/1066646434.db2.gz FXBJRPCNKRGRHE-SFHVURJKSA-N 0 0 452.904 4.845 20 0 JJADRN CC[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC ZINC001361288476 1066646457 /nfs/dbraw/zinc/64/64/57/1066646457.db2.gz GTCSRLAUAKAFEJ-GCJKJVERSA-N 0 0 450.608 4.608 20 0 JJADRN O=C(CNC(=O)c1ccccc1NC(=O)OCc1ccccc1)N1CCCCc2ccccc21 ZINC001456619388 1066647186 /nfs/dbraw/zinc/64/71/86/1066647186.db2.gz RCCUMPUBHOYPID-UHFFFAOYSA-N 0 0 457.530 4.535 20 0 JJADRN CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361289199 1066647201 /nfs/dbraw/zinc/64/72/01/1066647201.db2.gz QAFITVPZGKMSHO-GOSISDBHSA-N 0 0 452.904 4.845 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001446030331 1066648613 /nfs/dbraw/zinc/64/86/13/1066648613.db2.gz GCQRQRIKARCIHS-IZZNHLLZSA-N 0 0 459.590 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)CSCc3cscn3)CC2)CC1 ZINC001456624918 1066648941 /nfs/dbraw/zinc/64/89/41/1066648941.db2.gz WBRWYCPQPYUXJW-KRWDZBQOSA-N 0 0 453.674 4.652 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N(C)Cc2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598903 1066649103 /nfs/dbraw/zinc/64/91/03/1066649103.db2.gz RGJAHGPFVHUSEM-NBGIEHNGSA-N 0 0 470.639 4.793 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CC(Cc2ccc(Br)cc2)C1 ZINC001456625961 1066649579 /nfs/dbraw/zinc/64/95/79/1066649579.db2.gz NIIJUOWEVJBZJB-UHFFFAOYSA-N 0 0 455.165 4.984 20 0 JJADRN Cn1cc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C(F)(F)F)c1 ZINC001456624953 1066649642 /nfs/dbraw/zinc/64/96/42/1066649642.db2.gz WGWZVXDPAKYIDM-MRXNPFEDSA-N 0 0 457.537 4.933 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc(OC)c1 ZINC001446037316 1066649880 /nfs/dbraw/zinc/64/98/80/1066649880.db2.gz LZSRUACQSVWXPH-KRWDZBQOSA-N 0 0 457.929 4.744 20 0 JJADRN CN1CC[C@H](C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21 ZINC001456628504 1066650221 /nfs/dbraw/zinc/65/02/21/1066650221.db2.gz YQCFRBLSSZQFPO-OFNKIYASSA-N 0 0 455.643 4.886 20 0 JJADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001456627977 1066650272 /nfs/dbraw/zinc/65/02/72/1066650272.db2.gz TYMIGDAJJSFYCB-NNIWKIFQSA-N 0 0 450.947 4.786 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492599491 1066650488 /nfs/dbraw/zinc/65/04/88/1066650488.db2.gz XJFAGOZEEKRDPV-ADYITMSISA-N 0 0 470.658 4.976 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492599615 1066650505 /nfs/dbraw/zinc/65/05/05/1066650505.db2.gz ZNDBQUKMNBEMDA-GMAHTHKFSA-N 0 0 463.626 4.824 20 0 JJADRN Cc1ccccc1OCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492599706 1066651146 /nfs/dbraw/zinc/65/11/46/1066651146.db2.gz APJYNUKTJYOYKH-KRWDZBQOSA-N 0 0 475.387 4.551 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001492599237 1066651182 /nfs/dbraw/zinc/65/11/82/1066651182.db2.gz WFZAOLKBHUIUAR-UHFFFAOYSA-N 0 0 467.658 4.941 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)NCc3ccc(C)cc3O[C@H]3CCOC3)c2c1C ZINC001446046471 1066651220 /nfs/dbraw/zinc/65/12/20/1066651220.db2.gz IVAJVZVLKYFPDT-SFHVURJKSA-N 0 0 457.621 4.583 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)n2)cc1 ZINC001446047686 1066651292 /nfs/dbraw/zinc/65/12/92/1066651292.db2.gz NLPUNHIGKVVTOI-QGZVFWFLSA-N 0 0 455.518 4.746 20 0 JJADRN Cc1ccccc1OCCCn1c(N(C)Cc2nc3ccsc3c(=O)[nH]2)nnc1C(C)(C)C ZINC001492599996 1066651989 /nfs/dbraw/zinc/65/19/89/1066651989.db2.gz FKSRUQYGZGHJDN-UHFFFAOYSA-N 0 0 466.611 4.700 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001492599872 1066651993 /nfs/dbraw/zinc/65/19/93/1066651993.db2.gz DDLOYTZHPOCUJV-NRFANRHFSA-N 0 0 482.629 4.729 20 0 JJADRN C[C@H](CC(=O)NCCc1ccccc1OC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446050276 1066651970 /nfs/dbraw/zinc/65/19/70/1066651970.db2.gz LFHZZQJADRXSDO-AEFFLSMTSA-N 0 0 458.521 4.917 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001492599991 1066651997 /nfs/dbraw/zinc/65/19/97/1066651997.db2.gz GSBKDKRKRKQTJH-CQOQZXRMSA-N 0 0 470.658 4.837 20 0 JJADRN C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001446050997 1066652020 /nfs/dbraw/zinc/65/20/20/1066652020.db2.gz UIGRPYAVGHKTRU-LBPRGKRZSA-N 0 0 450.720 4.799 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 ZINC001446050671 1066652089 /nfs/dbraw/zinc/65/20/89/1066652089.db2.gz SMNDAPHSGZKHHD-ZDUSSCGKSA-N 0 0 452.312 4.689 20 0 JJADRN C[C@@H](CC(=O)NCCc1ccccc1OC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446050307 1066652131 /nfs/dbraw/zinc/65/21/31/1066652131.db2.gz LFHZZQJADRXSDO-WMZOPIPTSA-N 0 0 458.521 4.917 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1F ZINC001446049573 1066652137 /nfs/dbraw/zinc/65/21/37/1066652137.db2.gz PCTHRGWDEAYIPY-IVCQMTBJSA-N 0 0 453.514 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)C1 ZINC001456632628 1066652152 /nfs/dbraw/zinc/65/21/52/1066652152.db2.gz LOTUTIHCZYKSTH-VOIUYBSRSA-N 0 0 458.942 4.954 20 0 JJADRN CCN(CC)C(=O)CCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001456631163 1066652188 /nfs/dbraw/zinc/65/21/88/1066652188.db2.gz IXDPYUZTBKCJOT-CYBMUJFWSA-N 0 0 452.418 4.707 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001492600353 1066653300 /nfs/dbraw/zinc/65/33/00/1066653300.db2.gz LABXARUDPAQVTH-UHFFFAOYSA-N 0 0 471.646 4.748 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001456636807 1066653485 /nfs/dbraw/zinc/65/34/85/1066653485.db2.gz JZESCDYXSVPCHA-AUUYWEPGSA-N 0 0 462.541 4.569 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N[C@H](CC(C)C)c3cc(Cl)ccc3OC)CC2=O)cc1 ZINC001456635099 1066653515 /nfs/dbraw/zinc/65/35/15/1066653515.db2.gz HIMNBHKGINRDDZ-XMSQKQJNSA-N 0 0 458.986 4.609 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C(C)(C)C)n1Cc1cc(COC(C)(C)C)on1 ZINC001492600627 1066653822 /nfs/dbraw/zinc/65/38/22/1066653822.db2.gz PYVRYXQXSQOYDI-UHFFFAOYSA-N 0 0 455.603 4.751 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001456638492 1066654069 /nfs/dbraw/zinc/65/40/69/1066654069.db2.gz LEWBJTZCEAMAOY-CRAIPNDOSA-N 0 0 457.537 4.927 20 0 JJADRN CCC[C@H](C)N(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1nc(C)c(C(=O)OCC)s1 ZINC001456638020 1066654121 /nfs/dbraw/zinc/65/41/21/1066654121.db2.gz HTJBZJKMPBTNIN-AWEZNQCLSA-N 0 0 457.596 4.718 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001456637392 1066654193 /nfs/dbraw/zinc/65/41/93/1066654193.db2.gz FQRFISQNWNUPBA-NRFANRHFSA-N 0 0 454.452 4.647 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2([S@](C)=O)CC2)CCO1 ZINC001546084011 1066654225 /nfs/dbraw/zinc/65/42/25/1066654225.db2.gz WTTYIAWJAYVKFI-AYFKXAARSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492601153 1066655198 /nfs/dbraw/zinc/65/51/98/1066655198.db2.gz YKEKABNKGOFTOR-UHFFFAOYSA-N 0 0 468.483 4.626 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1nc(C)c(C(=O)OCC)s1 ZINC001456640234 1066655548 /nfs/dbraw/zinc/65/55/48/1066655548.db2.gz NIERITBSZYRBSI-GOEBONIOSA-N 0 0 455.621 4.795 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492601273 1066655785 /nfs/dbraw/zinc/65/57/85/1066655785.db2.gz AAKJFLIAHSYZFP-QFIPXVFZSA-N 0 0 479.625 4.616 20 0 JJADRN Cc1ccccc1OCCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492601229 1066655792 /nfs/dbraw/zinc/65/57/92/1066655792.db2.gz ZRFZNYJBYYXLFM-HSZRJFAPSA-N 0 0 499.656 4.743 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492601272 1066655857 /nfs/dbraw/zinc/65/58/57/1066655857.db2.gz AAKJFLIAHSYZFP-JOCHJYFZSA-N 0 0 479.625 4.616 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)nnc1-c1ccccc1 ZINC001456644350 1066656065 /nfs/dbraw/zinc/65/60/65/1066656065.db2.gz BUIHFBWQCYYRAN-LAUBAEHRSA-N 0 0 452.580 4.815 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cccnc2)n1Cc1ccsc1Br ZINC001492601759 1066656416 /nfs/dbraw/zinc/65/64/16/1066656416.db2.gz IZMHLTAGUGTNNK-UHFFFAOYSA-N 0 0 498.450 4.960 20 0 JJADRN Cc1ccccc1OCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001492600894 1066656432 /nfs/dbraw/zinc/65/64/32/1066656432.db2.gz SNDSPRPMZFVQEN-QHCPKHFHSA-N 0 0 481.685 4.919 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 ZINC001456644749 1066656737 /nfs/dbraw/zinc/65/67/37/1066656737.db2.gz VRJOVCJRIFPGHB-UHFFFAOYSA-N 0 0 451.548 4.651 20 0 JJADRN Cc1c(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456644499 1066656823 /nfs/dbraw/zinc/65/68/23/1066656823.db2.gz CNIQKZZWQLWFND-ZDUSSCGKSA-N 0 0 459.395 4.785 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCCc3cccc(C(F)(F)F)c3)C2)c1 ZINC001446085727 1066657419 /nfs/dbraw/zinc/65/74/19/1066657419.db2.gz IRPXNYRGIRZOOU-GOSISDBHSA-N 0 0 450.501 4.688 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001492602153 1066657583 /nfs/dbraw/zinc/65/75/83/1066657583.db2.gz OHYIGJHSEITDIN-NVQXNPDNSA-N 0 0 463.626 4.539 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)nnn1-c1cccc(Cl)c1 ZINC001446088084 1066658224 /nfs/dbraw/zinc/65/82/24/1066658224.db2.gz UJUYEBNGQRYAGE-NRFANRHFSA-N 0 0 452.967 4.667 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CCCC2)n1CCC(=O)NC1CCCCC1 ZINC001492602535 1066658308 /nfs/dbraw/zinc/65/83/08/1066658308.db2.gz UEAVLNBFKPJQTO-UHFFFAOYSA-N 0 0 453.631 4.598 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492602485 1066658406 /nfs/dbraw/zinc/65/84/06/1066658406.db2.gz RZRLUTXGEFLACG-RTBURBONSA-N 0 0 479.547 4.518 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1 ZINC001492602497 1066658413 /nfs/dbraw/zinc/65/84/13/1066658413.db2.gz SHJNPNPUTCAQRV-UHFFFAOYSA-N 0 0 469.630 4.626 20 0 JJADRN Cc1ccc(F)c(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c1Br ZINC001456651573 1066658669 /nfs/dbraw/zinc/65/86/69/1066658669.db2.gz VTWQPQRDDVHDJI-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492602645 1066658967 /nfs/dbraw/zinc/65/89/67/1066658967.db2.gz RZISYZSAMVIPCB-QHCPKHFHSA-N 0 0 499.656 4.743 20 0 JJADRN Cc1ccc(I)c(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC001456652874 1066659282 /nfs/dbraw/zinc/65/92/82/1066659282.db2.gz XNDKUPGAUNXRIQ-OAHLLOKOSA-N 0 0 452.336 4.738 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001446097997 1066659412 /nfs/dbraw/zinc/65/94/12/1066659412.db2.gz JIJTXTFLHJZKGC-HXUWFJFHSA-N 0 0 456.970 4.591 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(CC)oc2ccccc21 ZINC001446101445 1066660209 /nfs/dbraw/zinc/66/02/09/1066660209.db2.gz UBLZGWUJGPXAGG-UHFFFAOYSA-N 0 0 457.596 4.639 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@@H]1c1ccccc1OC ZINC001446107671 1066660843 /nfs/dbraw/zinc/66/08/43/1066660843.db2.gz DTKCKXFLNZVHKX-CLOONOSVSA-N 0 0 456.533 4.638 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)C ZINC001492604146 1066660924 /nfs/dbraw/zinc/66/09/24/1066660924.db2.gz IFPKEUJMIRJEAI-FQEVSTJZSA-N 0 0 457.619 4.830 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001456657947 1066660865 /nfs/dbraw/zinc/66/08/65/1066660865.db2.gz ICBUUWAURPZVPM-UHFFFAOYSA-N 0 0 452.403 4.928 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC001456660015 1066661148 /nfs/dbraw/zinc/66/11/48/1066661148.db2.gz DWWKFPZVGOHLFU-UHFFFAOYSA-N 0 0 452.555 4.520 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C ZINC001492604698 1066661301 /nfs/dbraw/zinc/66/13/01/1066661301.db2.gz BHSATMFJHSBTCX-AWEZNQCLSA-N 0 0 462.392 4.540 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001446109540 1066661269 /nfs/dbraw/zinc/66/12/69/1066661269.db2.gz GILHWQYIYRDWOC-SJLPKXTDSA-N 0 0 459.384 4.604 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCOC(C)C)CCO1 ZINC001546084176 1066661885 /nfs/dbraw/zinc/66/18/85/1066661885.db2.gz YXNQDMPIFISWIZ-XMMPIXPASA-N 0 0 455.628 4.807 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(CC)(CC)c3ccccc3)cc2)CC1 ZINC001456661606 1066661965 /nfs/dbraw/zinc/66/19/65/1066661965.db2.gz ILNLSZTYXVCKGR-UHFFFAOYSA-N 0 0 450.579 4.798 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001446112750 1066662050 /nfs/dbraw/zinc/66/20/50/1066662050.db2.gz VRPDZYOBQMCTSC-AWEZNQCLSA-N 0 0 452.407 4.709 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)cc1S(=O)(=O)NC(C)(C)C ZINC001456660119 1066662086 /nfs/dbraw/zinc/66/20/86/1066662086.db2.gz FBMPNSBEILRZQA-UHFFFAOYSA-N 0 0 457.527 4.651 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492604876 1066662227 /nfs/dbraw/zinc/66/22/27/1066662227.db2.gz IPXUVUJUJXTZRJ-OKILXGFUSA-N 0 0 465.346 4.515 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOCc1ccccc1 ZINC001492605230 1066662472 /nfs/dbraw/zinc/66/24/72/1066662472.db2.gz UWKKNTLRVIQTFD-UHFFFAOYSA-N 0 0 462.985 4.788 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC001456668293 1066663210 /nfs/dbraw/zinc/66/32/10/1066663210.db2.gz ZQTKOVUPSJMZSM-GUYCJALGSA-N 0 0 454.518 4.988 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492606438 1066663785 /nfs/dbraw/zinc/66/37/85/1066663785.db2.gz GQNCXOPEEINNOB-NRFANRHFSA-N 0 0 453.562 4.532 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001446139230 1066663915 /nfs/dbraw/zinc/66/39/15/1066663915.db2.gz GIRKISNYJXDTFK-LVXARBLLSA-N 0 0 456.590 4.749 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cc3c(cccc3Br)[nH]2)c2ccccc12 ZINC001446137717 1066664019 /nfs/dbraw/zinc/66/40/19/1066664019.db2.gz COQZYRFPNVEZKI-UHFFFAOYSA-N 0 0 453.292 4.888 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001492606688 1066664588 /nfs/dbraw/zinc/66/45/88/1066664588.db2.gz OYOJDROMFGDPLA-LJQANCHMSA-N 0 0 454.644 4.560 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674072 1066664503 /nfs/dbraw/zinc/66/45/03/1066664503.db2.gz TTXPVPCSTWNLBF-CJNGLKHVSA-N 0 0 458.527 4.520 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674079 1066664535 /nfs/dbraw/zinc/66/45/35/1066664535.db2.gz TTXPVPCSTWNLBF-XJKSGUPXSA-N 0 0 458.527 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@H]2C[C@H]21 ZINC001446141473 1066664597 /nfs/dbraw/zinc/66/45/97/1066664597.db2.gz LRWGMNFQJKWDTM-SFDCQRBFSA-N 0 0 465.324 4.760 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c(C)c1 ZINC001446142295 1066664605 /nfs/dbraw/zinc/66/46/05/1066664605.db2.gz LXAYJMRSSLEJTF-OAQYLSRUSA-N 0 0 457.640 4.606 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)n1 ZINC001492607034 1066665095 /nfs/dbraw/zinc/66/50/95/1066665095.db2.gz BMIOSAWKOJLMNY-UHFFFAOYSA-N 0 0 454.644 4.941 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2)nn1 ZINC001446144137 1066665107 /nfs/dbraw/zinc/66/51/07/1066665107.db2.gz YBCVDTUCHYVJOL-UHFFFAOYSA-N 0 0 455.493 4.850 20 0 JJADRN O=C(c1ccc(I)cc1O)N(CCc1cccc(F)c1)C1CCCC1 ZINC001446143231 1066665241 /nfs/dbraw/zinc/66/52/41/1066665241.db2.gz UJHHXQLOULLUHO-UHFFFAOYSA-N 0 0 453.295 4.763 20 0 JJADRN O=C(CCC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1cc(Cl)sc1Cl ZINC001446144466 1066665914 /nfs/dbraw/zinc/66/59/14/1066665914.db2.gz PSSYAXYQHONPIY-UHFFFAOYSA-N 0 0 459.782 4.542 20 0 JJADRN C[C@H](CC(=O)c1ccco1)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001446152228 1066666352 /nfs/dbraw/zinc/66/63/52/1066666352.db2.gz BNPPISMHBSEXBP-CQSZACIVSA-N 0 0 455.308 4.686 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC001446146102 1066666526 /nfs/dbraw/zinc/66/65/26/1066666526.db2.gz OSDZFZDZYFXOMN-FGZHOGPDSA-N 0 0 455.618 4.774 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1OC ZINC001446146121 1066666585 /nfs/dbraw/zinc/66/65/85/1066666585.db2.gz PGUNHRHCLPOWGG-HNNXBMFYSA-N 0 0 450.329 4.717 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001492607707 1066667294 /nfs/dbraw/zinc/66/72/94/1066667294.db2.gz WHSNZYLKCLKWAG-RXVVDRJESA-N 0 0 454.619 4.728 20 0 JJADRN COc1cc(CCNC(=O)CCCCc2ccc(I)cc2)ccc1C ZINC001456689825 1066667449 /nfs/dbraw/zinc/66/74/49/1066667449.db2.gz YXDVZICEKRXCOK-UHFFFAOYSA-N 0 0 451.348 4.680 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001446156841 1066667442 /nfs/dbraw/zinc/66/74/42/1066667442.db2.gz GTAQSZDHVCHHQQ-UGSOOPFHSA-N 0 0 454.445 4.642 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1C ZINC001492607842 1066667797 /nfs/dbraw/zinc/66/77/97/1066667797.db2.gz GQTUSOQLXCKWLT-FQEVSTJZSA-N 0 0 482.629 4.559 20 0 JJADRN Cc1noc(C)c1[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001456690104 1066668037 /nfs/dbraw/zinc/66/80/37/1066668037.db2.gz SEMWXQPLTBIJLF-CYBMUJFWSA-N 0 0 456.340 4.726 20 0 JJADRN CC(C)c1ccc(C[C@@H](C)NC(=O)CCOc2cccc(I)c2)cc1 ZINC001446179098 1066668811 /nfs/dbraw/zinc/66/88/11/1066668811.db2.gz AJJGTFLHPDSYHJ-MRXNPFEDSA-N 0 0 451.348 4.931 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(Cc4ccsc4)n3CC(F)(F)Br)CC2)c1 ZINC001492608317 1066668998 /nfs/dbraw/zinc/66/89/98/1066668998.db2.gz ZCXLJTCZKRECAV-UHFFFAOYSA-N 0 0 498.397 4.669 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(C)C1 ZINC001492608455 1066669099 /nfs/dbraw/zinc/66/90/99/1066669099.db2.gz ASVHHKCKCCMWHJ-UHFFFAOYSA-N 0 0 473.394 4.988 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Br)s3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001492608647 1066669861 /nfs/dbraw/zinc/66/98/61/1066669861.db2.gz DRYAROQFONNLLA-UHFFFAOYSA-N 0 0 482.448 4.840 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCCc3cccc4ccccc43)CC2)cc1 ZINC001456700708 1066670067 /nfs/dbraw/zinc/67/00/67/1066670067.db2.gz DMHCEHJURKVKQW-UHFFFAOYSA-N 0 0 451.588 4.725 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001446186878 1066670288 /nfs/dbraw/zinc/67/02/88/1066670288.db2.gz KRFBJJXFMDTCQO-UHFFFAOYSA-N 0 0 455.392 4.735 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)C1 ZINC001446185116 1066670301 /nfs/dbraw/zinc/67/03/01/1066670301.db2.gz MDWIQHAICRJWJN-RDPSFJRHSA-N 0 0 452.595 4.960 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)C1 ZINC001446185108 1066670421 /nfs/dbraw/zinc/67/04/21/1066670421.db2.gz MDWIQHAICRJWJN-HYBUGGRVSA-N 0 0 452.595 4.960 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001492609218 1066670326 /nfs/dbraw/zinc/67/03/26/1066670326.db2.gz PDPPVYVHGQWGSS-UHFFFAOYSA-N 0 0 464.314 4.549 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cc(Br)cn2)C1 ZINC001492609167 1066670399 /nfs/dbraw/zinc/67/03/99/1066670399.db2.gz NJAPPLZMERVYJU-UHFFFAOYSA-N 0 0 479.785 4.943 20 0 JJADRN CC1=CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NC2CCCCC2)C1 ZINC001492609700 1066671070 /nfs/dbraw/zinc/67/10/70/1066671070.db2.gz UANZRTNVATWTFJ-SFHVURJKSA-N 0 0 458.006 4.677 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001446189055 1066671149 /nfs/dbraw/zinc/67/11/49/1066671149.db2.gz RDCJLFFJFOTSKJ-AVRDEDQJSA-N 0 0 451.567 4.591 20 0 JJADRN COc1cc(COC(=O)c2cc(I)cc(C(F)(F)F)c2)ccc1C ZINC001456708639 1066671327 /nfs/dbraw/zinc/67/13/27/1066671327.db2.gz QJZPEDBSRZHUTG-UHFFFAOYSA-N 0 0 450.194 4.984 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001456706858 1066671553 /nfs/dbraw/zinc/67/15/53/1066671553.db2.gz MUJOPTHZPWMGHD-SANMLTNESA-N 0 0 459.631 4.552 20 0 JJADRN COc1ccc(CCCC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c(OC)c1 ZINC001446189549 1066671692 /nfs/dbraw/zinc/67/16/92/1066671692.db2.gz YECYOGSPGKDCOB-DEOSSOPVSA-N 0 0 459.546 4.709 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC001545982348 1066671791 /nfs/dbraw/zinc/67/17/91/1066671791.db2.gz KRZXTVPKXBJZIY-RHSMWYFYSA-N 0 0 461.557 4.861 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccccc3Br)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001492610419 1066672723 /nfs/dbraw/zinc/67/27/23/1066672723.db2.gz ULQJRKIGBIXKBD-UHFFFAOYSA-N 0 0 493.331 4.916 20 0 JJADRN O=C(NCCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001446193513 1066673284 /nfs/dbraw/zinc/67/32/84/1066673284.db2.gz YAORFDXIIUYMRZ-XMMPIXPASA-N 0 0 457.574 4.868 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[C@H]2CCCCO2)C1 ZINC001492611168 1066673367 /nfs/dbraw/zinc/67/33/67/1066673367.db2.gz TYBCTQNAFBQIFZ-FCHUYYIVSA-N 0 0 473.662 4.898 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[C@@H]2CCCCO2)C1 ZINC001492611171 1066673487 /nfs/dbraw/zinc/67/34/87/1066673487.db2.gz TYBCTQNAFBQIFZ-YADHBBJMSA-N 0 0 473.662 4.898 20 0 JJADRN CC(C)C[C@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC001456719618 1066673721 /nfs/dbraw/zinc/67/37/21/1066673721.db2.gz NIOJXEMADQTWAW-FQEVSTJZSA-N 0 0 452.929 4.802 20 0 JJADRN CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196244 1066674239 /nfs/dbraw/zinc/67/42/39/1066674239.db2.gz QHNYXUYJJAAEQK-GGAORHGYSA-N 0 0 453.558 4.689 20 0 JJADRN CC[C@H]1CCCc2sc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4O)n3)nc21 ZINC001456725188 1066674466 /nfs/dbraw/zinc/67/44/66/1066674466.db2.gz RLGQTPRDGKHUOR-ZDUSSCGKSA-N 0 0 456.593 4.877 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC=C(C)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001492612976 1066674754 /nfs/dbraw/zinc/67/47/54/1066674754.db2.gz BQCGPYQRFOJJMW-UHFFFAOYSA-N 0 0 467.614 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCCc4cc(C(C)(C)C)ccc43)=NO2)C1 ZINC001446203859 1066674894 /nfs/dbraw/zinc/67/48/94/1066674894.db2.gz JXQKBPLBBSXOFF-SANMLTNESA-N 0 0 455.599 4.809 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(F)cc1OC(C)(C)C)c1ccc(Br)cc1 ZINC001446196863 1066674955 /nfs/dbraw/zinc/67/49/55/1066674955.db2.gz RGXHQERPSPAZKI-GOSISDBHSA-N 0 0 451.336 4.972 20 0 JJADRN CC(C)N(CC(=O)OC(C)(C)C)C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001446214831 1066675783 /nfs/dbraw/zinc/67/57/83/1066675783.db2.gz UGECTIJTKUYKIQ-UHFFFAOYSA-N 0 0 457.518 4.562 20 0 JJADRN COc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1 ZINC001456731239 1066675837 /nfs/dbraw/zinc/67/58/37/1066675837.db2.gz QMTPJMKWOZTRIC-KRWDZBQOSA-N 0 0 454.617 4.684 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@@H]2C)C1 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DIBUMRPUJXTGGA-ZHRRBRCNSA-N 0 0 451.398 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)=NO2)CC1 ZINC001446239201 1066677187 /nfs/dbraw/zinc/67/71/87/1066677187.db2.gz FMEYIDSRWPUFBC-SFHVURJKSA-N 0 0 455.599 4.504 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)C[C@H]2CCC[C@@H]2O)c1=S ZINC001446238766 1066677253 /nfs/dbraw/zinc/67/72/53/1066677253.db2.gz SLVPGBFMJHURCB-MJGOQNOKSA-N 0 0 451.036 4.544 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc(O)c1F)c1ccc(Br)cc1 ZINC001446238294 1066677338 /nfs/dbraw/zinc/67/73/38/1066677338.db2.gz BHVCOFISGONRSJ-HXUWFJFHSA-N 0 0 453.308 4.672 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492613960 1066677618 /nfs/dbraw/zinc/67/76/18/1066677618.db2.gz ODSMPKRFXAUYEH-QGZVFWFLSA-N 0 0 461.994 4.580 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC=C(C)C2)s1 ZINC001492614236 1066678483 /nfs/dbraw/zinc/67/84/83/1066678483.db2.gz ZQICVPGBANRYKB-UHFFFAOYSA-N 0 0 451.383 4.529 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456740431 1066678755 /nfs/dbraw/zinc/67/87/55/1066678755.db2.gz VWXHORBCKXXLAR-CUWPLCDZSA-N 0 0 457.571 4.706 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)CC1 ZINC001492614585 1066678956 /nfs/dbraw/zinc/67/89/56/1066678956.db2.gz KCTZYQLVDJGZPX-FQEVSTJZSA-N 0 0 455.578 4.506 20 0 JJADRN CC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001492614329 1066678982 /nfs/dbraw/zinc/67/89/82/1066678982.db2.gz CDLAXFVTMINYJX-GOSISDBHSA-N 0 0 485.361 4.555 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C)CC3)n2CCNC(=O)c2cccs2)c1C ZINC001492614568 1066679119 /nfs/dbraw/zinc/67/91/19/1066679119.db2.gz JTNHRGYPLFDTLX-FQEVSTJZSA-N 0 0 465.623 4.683 20 0 JJADRN CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1)C(=O)OC(C)(C)C ZINC001446248097 1066679626 /nfs/dbraw/zinc/67/96/26/1066679626.db2.gz WORTWEMQQYFELC-VQTJNVASSA-N 0 0 452.542 4.887 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCc1ccc2ccccc2c1O ZINC001446253041 1066679672 /nfs/dbraw/zinc/67/96/72/1066679672.db2.gz CZDRHNTWELITEH-NRFANRHFSA-N 0 0 456.336 4.613 20 0 JJADRN CCSc1ccc(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(Br)c1 ZINC001456743377 1066679689 /nfs/dbraw/zinc/67/96/89/1066679689.db2.gz FHDXLYUYRYHXGS-QGZVFWFLSA-N 0 0 457.434 4.523 20 0 JJADRN C[C@@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456746377 1066679701 /nfs/dbraw/zinc/67/97/01/1066679701.db2.gz KKNVNYCRHRHSHE-FOIQADDNSA-N 0 0 459.409 4.683 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456743849 1066679760 /nfs/dbraw/zinc/67/97/60/1066679760.db2.gz GYRONVGLTBRGOR-HOYKHHGWSA-N 0 0 451.954 4.547 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001545982800 1066680241 /nfs/dbraw/zinc/68/02/41/1066680241.db2.gz REUUCPSAUGZLCP-LJQANCHMSA-N 0 0 492.462 4.900 20 0 JJADRN O=C(c1csc(Br)n1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001446258225 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OFAYDGZDNIGQLH-QFIPXVFZSA-N 0 0 450.505 4.542 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001492615579 1066681806 /nfs/dbraw/zinc/68/18/06/1066681806.db2.gz RJEZEVGCIKCYBB-UHFFFAOYSA-N 0 0 497.319 4.577 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)nc(N2CCCCC2)n1 ZINC001446270707 1066681869 /nfs/dbraw/zinc/68/18/69/1066681869.db2.gz AKBSBEDCJJAVKD-LJQANCHMSA-N 0 0 454.590 4.808 20 0 JJADRN CC(C)Cn1ncc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1C(F)F ZINC001456758777 1066681944 /nfs/dbraw/zinc/68/19/44/1066681944.db2.gz FDAUSJIOUKXEID-UHFFFAOYSA-N 0 0 458.553 4.520 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCC[NH+]2CCOCC2)CC1 ZINC001492615806 1066682403 /nfs/dbraw/zinc/68/24/03/1066682403.db2.gz ZGDWEMHPRWAFLI-UHFFFAOYSA-N 0 0 494.865 4.630 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001492615636 1066682517 /nfs/dbraw/zinc/68/25/17/1066682517.db2.gz UCSNLGLTEBHAFQ-QAPCUYQASA-N 0 0 451.434 4.987 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001492615635 1066682549 /nfs/dbraw/zinc/68/25/49/1066682549.db2.gz UCSNLGLTEBHAFQ-MAUKXSAKSA-N 0 0 451.434 4.987 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C)CC1 ZINC001492615647 1066682584 /nfs/dbraw/zinc/68/25/84/1066682584.db2.gz UHFKVLHLPYERNH-UHFFFAOYSA-N 0 0 459.367 4.667 20 0 JJADRN C[C@@H]1c2c(F)cccc2CCN1C(=O)CCCOc1ccc(I)cc1 ZINC001456763794 1066682661 /nfs/dbraw/zinc/68/26/61/1066682661.db2.gz KBHLLTDWFVTOFB-CQSZACIVSA-N 0 0 453.295 4.735 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCCc2cnn(C)c2)cc1Br ZINC001492615962 1066683119 /nfs/dbraw/zinc/68/31/19/1066683119.db2.gz GGSOQBXDSWCFMJ-UHFFFAOYSA-N 0 0 455.404 4.539 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001492616145 1066683164 /nfs/dbraw/zinc/68/31/64/1066683164.db2.gz MTNLISLRZFJXAE-UHFFFAOYSA-N 0 0 480.382 4.528 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Nc2nccs2)cc1F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001446276050 1066683907 /nfs/dbraw/zinc/68/39/07/1066683907.db2.gz JGUMATIDSPLFFB-RTWAWAEBSA-N 0 0 450.543 4.724 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001492616334 1066683946 /nfs/dbraw/zinc/68/39/46/1066683946.db2.gz VBFSDOKYYKRRQR-UHFFFAOYSA-N 0 0 457.427 4.622 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N(C)[C@H]3CCN(c4ccccc4F)C3=O)cc2)cs1 ZINC001456770739 1066684567 /nfs/dbraw/zinc/68/45/67/1066684567.db2.gz POKJDFDHIIUMOE-NRFANRHFSA-N 0 0 455.580 4.760 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C(=O)C(C)(C)C)c1 ZINC001456769001 1066684643 /nfs/dbraw/zinc/68/46/43/1066684643.db2.gz IWOCKUQBCIARNY-UHFFFAOYSA-N 0 0 457.017 4.912 20 0 JJADRN CC(C)(C)C(=O)c1ccsc1NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001456769092 1066684680 /nfs/dbraw/zinc/68/46/80/1066684680.db2.gz KPCSRTPILDPLKE-INIZCTEOSA-N 0 0 459.637 4.867 20 0 JJADRN CC(C)(C(=O)N1CCC(O)(C(F)(F)F)CC1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001446282730 1066685291 /nfs/dbraw/zinc/68/52/91/1066685291.db2.gz WWRQUPPPKMCHPP-UHFFFAOYSA-N 0 0 450.885 4.796 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2nccs2)CC1 ZINC001492617966 1066685295 /nfs/dbraw/zinc/68/52/95/1066685295.db2.gz UNZCFDWWKYYFBP-UHFFFAOYSA-N 0 0 472.659 4.638 20 0 JJADRN CC1=CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccccc2F)CC1 ZINC001492617666 1066685313 /nfs/dbraw/zinc/68/53/13/1066685313.db2.gz LONKMNWPGCWVKS-NRFANRHFSA-N 0 0 469.605 4.931 20 0 JJADRN CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001492618069 1066686037 /nfs/dbraw/zinc/68/60/37/1066686037.db2.gz WWEGEPINAVOZCC-TZIWHRDSSA-N 0 0 487.670 4.683 20 0 JJADRN COc1cccc(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1OC(F)F ZINC001456771604 1066686187 /nfs/dbraw/zinc/68/61/87/1066686187.db2.gz WKGRHRBSNARDKX-KRWDZBQOSA-N 0 0 451.466 4.648 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)OCc1cccc(OC)c1OC(F)F ZINC001456771897 1066686311 /nfs/dbraw/zinc/68/63/11/1066686311.db2.gz YWFYNCNCUBYQIF-CVEARBPZSA-N 0 0 453.438 4.603 20 0 JJADRN Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001492618965 1066686551 /nfs/dbraw/zinc/68/65/51/1066686551.db2.gz CVBLWTHMWOPANG-OAQYLSRUSA-N 0 0 469.630 4.825 20 0 JJADRN Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001492618922 1066686569 /nfs/dbraw/zinc/68/65/69/1066686569.db2.gz BGGIVZMPUZKPOC-UHFFFAOYSA-N 0 0 480.922 4.776 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001446294120 1066686952 /nfs/dbraw/zinc/68/69/52/1066686952.db2.gz DCKSOXMKCXUXKA-CABCVRRESA-N 0 0 457.384 4.673 20 0 JJADRN CC1=CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCOc2ncccc2F)CC1 ZINC001492619673 1066687239 /nfs/dbraw/zinc/68/72/39/1066687239.db2.gz FIIGKZADSNOCEB-UHFFFAOYSA-N 0 0 459.978 4.993 20 0 JJADRN C[C@H](CC(=O)NCc1ccnc(N2CCCCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446295835 1066687636 /nfs/dbraw/zinc/68/76/36/1066687636.db2.gz WLEALXOJQKNJPV-HXUWFJFHSA-N 0 0 458.647 4.752 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446298218 1066687689 /nfs/dbraw/zinc/68/76/89/1066687689.db2.gz XZHZPCUISNGQNF-QHCPKHFHSA-N 0 0 452.599 4.653 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(Br)cc1F ZINC001456776527 1066687884 /nfs/dbraw/zinc/68/78/84/1066687884.db2.gz VDUQKFRHVBSEDP-GFCCVEGCSA-N 0 0 450.304 4.956 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)NCc2ccnc(N3CCCCCC3)c2)s1 ZINC001446300902 1066688361 /nfs/dbraw/zinc/68/83/61/1066688361.db2.gz MUTFENHDGAAMLP-UHFFFAOYSA-N 0 0 459.616 4.515 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001446299509 1066688400 /nfs/dbraw/zinc/68/84/00/1066688400.db2.gz XHFOSSSYPKBDQW-XJKSGUPXSA-N 0 0 457.384 4.529 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NCC(C)(C)C3CCCCC3)ccc2NC1=O ZINC001446302122 1066688909 /nfs/dbraw/zinc/68/89/09/1066688909.db2.gz UWOFNKAGRPTFQO-OAQYLSRUSA-N 0 0 457.615 4.801 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCNc2ncc(Cl)cc2Cl)CCO1 ZINC001546084911 1066689315 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JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3F)C2)c1 ZINC001492620547 1066690825 /nfs/dbraw/zinc/69/08/25/1066690825.db2.gz HLBLDJVQDZWZCV-VQTJNVASSA-N 0 0 454.594 4.820 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)C2=O)cc1 ZINC001446328716 1066691028 /nfs/dbraw/zinc/69/10/28/1066691028.db2.gz GROYOUPXRLDXDG-AOMKIAJQSA-N 0 0 455.396 4.899 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cc(O)cc(Br)c1 ZINC001446329193 1066691096 /nfs/dbraw/zinc/69/10/96/1066691096.db2.gz ALSBNCPZFUIZLW-UHFFFAOYSA-N 0 0 450.161 4.937 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC001456792777 1066691688 /nfs/dbraw/zinc/69/16/88/1066691688.db2.gz XKWPVSHMKFUVOQ-UHFFFAOYSA-N 0 0 456.033 4.606 20 0 JJADRN CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)CC1 ZINC001446333180 1066692114 /nfs/dbraw/zinc/69/21/14/1066692114.db2.gz MLNXOBKJQGQOPK-UHFFFAOYSA-N 0 0 452.599 4.874 20 0 JJADRN CC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC001456795130 1066692107 /nfs/dbraw/zinc/69/21/07/1066692107.db2.gz AYPRJYUMJBDACL-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCSC(F)(F)F)C2)c1 ZINC001492621952 1066692746 /nfs/dbraw/zinc/69/27/46/1066692746.db2.gz JOBLBQQWHNZTOM-GOSISDBHSA-N 0 0 468.524 4.607 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001492622048 1066692878 /nfs/dbraw/zinc/69/28/78/1066692878.db2.gz JZDDLBHVUYRJMA-JOCHJYFZSA-N 0 0 499.704 4.644 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3Cc3ccccc3OC(C)C)CC2)c1 ZINC001492621736 1066692888 /nfs/dbraw/zinc/69/28/88/1066692888.db2.gz ADNYNEZIWMWNRO-UHFFFAOYSA-N 0 0 450.631 4.734 20 0 JJADRN C[C@@H](CC(=O)N(CCCO)Cc1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446333604 1066692867 /nfs/dbraw/zinc/69/28/67/1066692867.db2.gz NZXICDDULCJSJT-SFHVURJKSA-N 0 0 453.023 4.724 20 0 JJADRN CC(C)C[C@H](NC(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001446338404 1066692994 /nfs/dbraw/zinc/69/29/94/1066692994.db2.gz SHDVONWHAIXITD-PXAMLJHWSA-N 0 0 452.515 4.639 20 0 JJADRN Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)C(C)C)CCO2)c1 ZINC001492622102 1066693427 /nfs/dbraw/zinc/69/34/27/1066693427.db2.gz HHLMJQVIHIDEEK-OAQYLSRUSA-N 0 0 488.583 4.639 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3C[C@](C)(O)CCC(C)C)C2)c1 ZINC001492622648 1066694158 /nfs/dbraw/zinc/69/41/58/1066694158.db2.gz QLLMFEMCZNDZOS-RPLLCQBOSA-N 0 0 464.658 4.711 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[nH]1 ZINC001456802281 1066694378 /nfs/dbraw/zinc/69/43/78/1066694378.db2.gz XPYSKIOLUOABJH-UHFFFAOYSA-N 0 0 456.340 4.737 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001456802312 1066694400 /nfs/dbraw/zinc/69/44/00/1066694400.db2.gz PEVCKBZQXPNJAM-XMMPIXPASA-N 0 0 450.558 4.537 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC4CCCC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492622906 1066694639 /nfs/dbraw/zinc/69/46/39/1066694639.db2.gz UVZJOFOMGJUOFX-DHIUTWEWSA-N 0 0 499.704 4.907 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492622834 1066694744 /nfs/dbraw/zinc/69/47/44/1066694744.db2.gz STYXHDSGRZWCDZ-RBBKRZOGSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccccc3OCC(C)C)C2)c1 ZINC001492623188 1066695483 /nfs/dbraw/zinc/69/54/83/1066695483.db2.gz YXAZQFIUYOGZSH-HSZRJFAPSA-N 0 0 450.631 4.906 20 0 JJADRN COc1ccccc1OC[C@@H](C)CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001446355409 1066695528 /nfs/dbraw/zinc/69/55/28/1066695528.db2.gz BFZKRIOKABJJBX-HNNXBMFYSA-N 0 0 456.564 4.589 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001492623470 1066696253 /nfs/dbraw/zinc/69/62/53/1066696253.db2.gz FAILJEKIXLGIMF-FQEVSTJZSA-N 0 0 474.556 4.536 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2Cl)CC1)NC(=O)OC(C)(C)C ZINC001545984941 1066696349 /nfs/dbraw/zinc/69/63/49/1066696349.db2.gz SLRNPDLRUVXUGD-LJQANCHMSA-N 0 0 489.064 4.829 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001456805134 1066696614 /nfs/dbraw/zinc/69/66/14/1066696614.db2.gz VOHBLKVIPWHUNH-IBGZPJMESA-N 0 0 456.271 4.907 20 0 JJADRN Cc1cnn(CCn2c(-c3cc(Br)cn3C)nnc2N(C)CCCCc2ccccc2)c1 ZINC001492624381 1066696782 /nfs/dbraw/zinc/69/67/82/1066696782.db2.gz TZODNXIQKYHQMS-UHFFFAOYSA-N 0 0 496.457 4.710 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001492624387 1066696822 /nfs/dbraw/zinc/69/68/22/1066696822.db2.gz UIVGFFPRLRLYOR-UHFFFAOYSA-N 0 0 491.684 4.531 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCC3(c4cccc(Br)c4)CCCC3)c2N1 ZINC001446366989 1066696890 /nfs/dbraw/zinc/69/68/90/1066696890.db2.gz WBYCJZFUMGCTHS-CXAGYDPISA-N 0 0 467.358 4.898 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cc(Br)c[nH]c1=O ZINC001446366374 1066696961 /nfs/dbraw/zinc/69/69/61/1066696961.db2.gz RBZQDSMQJKKLGI-UHFFFAOYSA-N 0 0 454.162 4.554 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001446364115 1066697001 /nfs/dbraw/zinc/69/70/01/1066697001.db2.gz HUGBYKNXZAOLQC-QGZVFWFLSA-N 0 0 453.380 4.892 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCC(C)C)C2CC2)c1 ZINC001492626203 1066697400 /nfs/dbraw/zinc/69/74/00/1066697400.db2.gz IQDULILVAYAQPE-OAQYLSRUSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)cc3)nnc2N2CCC(C(C)C)CC2)c1 ZINC001492624667 1066697450 /nfs/dbraw/zinc/69/74/50/1066697450.db2.gz YHGYHSDAFPCCLE-UHFFFAOYSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1cnn(C[C@@H]2CN(c3nnc(CSc4ccc(Cl)cc4)n3CCC(C)(F)F)CCO2)c1 ZINC001492624710 1066697493 /nfs/dbraw/zinc/69/74/93/1066697493.db2.gz OIGRSOXPXDXJMT-SFHVURJKSA-N 0 0 497.015 4.679 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC001446377749 1066697665 /nfs/dbraw/zinc/69/76/65/1066697665.db2.gz JYMCZEAQYGDVES-LJQANCHMSA-N 0 0 453.542 4.781 20 0 JJADRN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001446375922 1066697769 /nfs/dbraw/zinc/69/77/69/1066697769.db2.gz LJEGGYFLDLANLP-AWEZNQCLSA-N 0 0 451.013 4.828 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2Cc3ccccc3C(F)(F)C2)C1 ZINC001446374470 1066697801 /nfs/dbraw/zinc/69/78/01/1066697801.db2.gz CNZTZVSTSRAANM-NHCUHLMSSA-N 0 0 456.533 4.846 20 0 JJADRN Cc1ccc(NC(=O)c2cn3c(Br)cnc3s2)cc1OCC1CCOCC1 ZINC001456809790 1066697781 /nfs/dbraw/zinc/69/77/81/1066697781.db2.gz MRGSRMANEPSGIM-UHFFFAOYSA-N 0 0 450.358 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2 ZINC001456810049 1066697818 /nfs/dbraw/zinc/69/78/18/1066697818.db2.gz LVFMPICQJUAXKW-QRVBRYPASA-N 0 0 463.416 4.918 20 0 JJADRN COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001456809094 1066697824 /nfs/dbraw/zinc/69/78/24/1066697824.db2.gz APRULTWGSRWOBB-CYFREDJKSA-N 0 0 453.579 4.694 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H]2CC=CCC2)c1 ZINC001492626666 1066697916 /nfs/dbraw/zinc/69/79/16/1066697916.db2.gz GTQJFBYAFPITNB-KRWDZBQOSA-N 0 0 473.394 4.844 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001456811881 1066698530 /nfs/dbraw/zinc/69/85/30/1066698530.db2.gz WMWCISABPANUGT-NXHRZFHOSA-N 0 0 491.514 4.818 20 0 JJADRN COC(=O)C1(CCCCNC(=O)c2csc(-c3cc(Br)cs3)n2)CCC1 ZINC001456810787 1066698623 /nfs/dbraw/zinc/69/86/23/1066698623.db2.gz STGUKICAAHHLHA-UHFFFAOYSA-N 0 0 457.415 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)c(Cl)ccc3Br)C2 ZINC001456811869 1066698685 /nfs/dbraw/zinc/69/86/85/1066698685.db2.gz WMFXCGNGVOYIBO-HQQWDMGQSA-N 0 0 468.779 4.854 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccc(Cl)cc2)c1 ZINC001492627411 1066698661 /nfs/dbraw/zinc/69/86/61/1066698661.db2.gz XUXFRDFARKNLSF-UHFFFAOYSA-N 0 0 456.381 4.531 20 0 JJADRN Cc1cnn(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)c1 ZINC001492627619 1066698703 /nfs/dbraw/zinc/69/87/03/1066698703.db2.gz FFWHLMYUYCEUAH-UHFFFAOYSA-N 0 0 475.062 4.823 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492627107 1066698791 /nfs/dbraw/zinc/69/87/91/1066698791.db2.gz MWVXZSJJGXTYQH-GJZGRUSLSA-N 0 0 461.383 4.534 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)c1 ZINC001492628073 1066699072 /nfs/dbraw/zinc/69/90/72/1066699072.db2.gz VEXBRGDHOCGBBT-UXHICEINSA-N 0 0 468.671 4.690 20 0 JJADRN Cc1cnn(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)(F)C2)c1 ZINC001492627980 1066699191 /nfs/dbraw/zinc/69/91/91/1066699191.db2.gz RHEKYSGZIDQTLJ-UHFFFAOYSA-N 0 0 466.989 4.910 20 0 JJADRN CCOC(=O)N1CCC(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC001456813090 1066699162 /nfs/dbraw/zinc/69/91/62/1066699162.db2.gz AIPRBMUOFWQQJP-UHFFFAOYSA-N 0 0 451.405 4.636 20 0 JJADRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(I)c[nH]1 ZINC001446386834 1066699940 /nfs/dbraw/zinc/69/99/40/1066699940.db2.gz WFQZMVGKVKDYFM-BTYIYWSLSA-N 0 0 456.327 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384157 1066699972 /nfs/dbraw/zinc/69/99/72/1066699972.db2.gz DDAQJQLYINLHLJ-MRXNPFEDSA-N 0 0 453.421 4.880 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)OCc2c(C)nn(C)c2Cl)cc1 ZINC001456815634 1066700085 /nfs/dbraw/zinc/70/00/85/1066700085.db2.gz ARRLKEIJZKREJJ-UHFFFAOYSA-N 0 0 450.926 4.529 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1)CCC2 ZINC001492628806 1066700128 /nfs/dbraw/zinc/70/01/28/1066700128.db2.gz NMALHRBLCJXKCM-GOSISDBHSA-N 0 0 457.420 4.883 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)C(F)(F)F ZINC001446389188 1066700383 /nfs/dbraw/zinc/70/03/83/1066700383.db2.gz RLZCHSIFTSDOPZ-NRFANRHFSA-N 0 0 458.484 4.892 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)Oc1ccccc1F ZINC001545985238 1066700475 /nfs/dbraw/zinc/70/04/75/1066700475.db2.gz XNGRZFVTIPIHDD-QUCCMNQESA-N 0 0 487.620 4.988 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)Oc1ccccc1F ZINC001545985239 1066700491 /nfs/dbraw/zinc/70/04/91/1066700491.db2.gz XNGRZFVTIPIHDD-UYAOXDASSA-N 0 0 487.620 4.988 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)o1 ZINC001456819504 1066700419 /nfs/dbraw/zinc/70/04/19/1066700419.db2.gz UNBRLEYDXGQGNH-LBPRGKRZSA-N 0 0 455.565 4.633 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC(C)C)C2CC2)c1 ZINC001492628937 1066700790 /nfs/dbraw/zinc/70/07/90/1066700790.db2.gz PSSOKQMUQYNJOO-NRFANRHFSA-N 0 0 471.650 4.570 20 0 JJADRN CCCOc1cccc(CCNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001446390639 1066701028 /nfs/dbraw/zinc/70/10/28/1066701028.db2.gz NAFMAOONKWMZTR-UHFFFAOYSA-N 0 0 452.595 4.784 20 0 JJADRN COc1ccccc1CN(CCO)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001446392671 1066701458 /nfs/dbraw/zinc/70/14/58/1066701458.db2.gz OWLRMENFSBRACS-UHFFFAOYSA-N 0 0 451.466 4.957 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492629494 1066701434 /nfs/dbraw/zinc/70/14/34/1066701434.db2.gz CDTMGVJKOOJXMS-RBSFLKMASA-N 0 0 476.444 4.890 20 0 JJADRN CC(C)c1ccc(Oc2cc(C(=O)N3CCC(CNC(=O)c4ccccn4)CC3)ccn2)cc1 ZINC001446391233 1066701481 /nfs/dbraw/zinc/70/14/81/1066701481.db2.gz SOMJDEHEVATPFO-UHFFFAOYSA-N 0 0 458.562 4.675 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001456825242 1066701664 /nfs/dbraw/zinc/70/16/64/1066701664.db2.gz PTLTZMHWSNUFDF-CTNGQTDRSA-N 0 0 458.002 4.561 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC001456824154 1066701720 /nfs/dbraw/zinc/70/17/20/1066701720.db2.gz RDKXCUAMIOVADW-UHFFFAOYSA-N 0 0 452.866 4.705 20 0 JJADRN CCCCOCCN(C(=O)c1cn(-c2ccc(C)cc2)nn1)c1ccc(Br)cc1 ZINC001456827700 1066701844 /nfs/dbraw/zinc/70/18/44/1066701844.db2.gz XMAGVFSQIKLKMM-UHFFFAOYSA-N 0 0 457.372 4.802 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492629702 1066701900 /nfs/dbraw/zinc/70/19/00/1066701900.db2.gz GPGDQWNYCDHKFU-LBPRGKRZSA-N 0 0 481.573 4.964 20 0 JJADRN CCCOc1cccc(CCNC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001446396559 1066702129 /nfs/dbraw/zinc/70/21/29/1066702129.db2.gz VQOFUYROXXAPOX-OAQYLSRUSA-N 0 0 452.498 4.584 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H](C)c2ccc3c(c2)OCO3)c2ccc(OC)cc2)n1 ZINC001456827800 1066702261 /nfs/dbraw/zinc/70/22/61/1066702261.db2.gz BHBCDGJCCQDQPJ-AWEZNQCLSA-N 0 0 454.504 4.526 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492629875 1066702307 /nfs/dbraw/zinc/70/23/07/1066702307.db2.gz JIXAGVPUDKQOAJ-BPLDGKMQSA-N 0 0 495.516 4.945 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCc3cc4ccccc4[nH]3)cc2Br)no1 ZINC001446401755 1066702695 /nfs/dbraw/zinc/70/26/95/1066702695.db2.gz VYPMRCRYTRCWIN-UHFFFAOYSA-N 0 0 454.324 4.778 20 0 JJADRN Cc1c(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cnn1-c1ccccc1 ZINC001446419827 1066703087 /nfs/dbraw/zinc/70/30/87/1066703087.db2.gz HDYWBKSLOVJINC-QHCPKHFHSA-N 0 0 455.518 4.711 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492630020 1066703072 /nfs/dbraw/zinc/70/30/72/1066703072.db2.gz MEZGYMIQAWSBND-HIFRSBDPSA-N 0 0 494.434 4.888 20 0 JJADRN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001456835937 1066703521 /nfs/dbraw/zinc/70/35/21/1066703521.db2.gz DWVOOYYMDFVMSN-PKTZIBPZSA-N 0 0 456.583 4.721 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001446421434 1066703546 /nfs/dbraw/zinc/70/35/46/1066703546.db2.gz FONMDKFZNVJWDB-IBGZPJMESA-N 0 0 457.368 4.945 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CCO1 ZINC001546085161 1066704085 /nfs/dbraw/zinc/70/40/85/1066704085.db2.gz GASJNBVOGOCHOK-JOCHJYFZSA-N 0 0 499.990 4.764 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cnc3ccc(F)cc3c2)c2ccc(OC)cc2)n1 ZINC001456837247 1066704122 /nfs/dbraw/zinc/70/41/22/1066704122.db2.gz PUDITWZUPVFFQD-UHFFFAOYSA-N 0 0 451.479 4.994 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC001456839895 1066704170 /nfs/dbraw/zinc/70/41/70/1066704170.db2.gz DUTVDWFSVOBRBS-FQEVSTJZSA-N 0 0 459.571 4.531 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC001446425489 1066704040 /nfs/dbraw/zinc/70/40/40/1066704040.db2.gz GLFNRIKPKMGEGK-QFIPXVFZSA-N 0 0 453.583 4.876 20 0 JJADRN C[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)Cc1ccccc1 ZINC001446424190 1066704057 /nfs/dbraw/zinc/70/40/57/1066704057.db2.gz DIEZJBNLCNKPMU-UZUQRXQVSA-N 0 0 452.348 4.886 20 0 JJADRN CN(CCc1ccccc1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO)C(=O)OC(C)(C)C ZINC001446425805 1066704202 /nfs/dbraw/zinc/70/42/02/1066704202.db2.gz MHFJCABAFYQAKC-HSZRJFAPSA-N 0 0 454.611 4.628 20 0 JJADRN Cc1ccc2c(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)cc(-c3cnn(C)c3)nc2c1C ZINC001446428324 1066704502 /nfs/dbraw/zinc/70/45/02/1066704502.db2.gz PJSVNONGHJTCCY-DEOSSOPVSA-N 0 0 456.590 4.784 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)s1 ZINC001492630459 1066704509 /nfs/dbraw/zinc/70/45/09/1066704509.db2.gz UVOHSKYKPAIKEQ-DOTOQJQBSA-N 0 0 467.574 4.552 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)CC2(Cl)Cl)cc1 ZINC001446428275 1066704577 /nfs/dbraw/zinc/70/45/77/1066704577.db2.gz PELYAVDSXUXWCZ-OFNKIYASSA-N 0 0 450.406 4.819 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC001456846264 1066705062 /nfs/dbraw/zinc/70/50/62/1066705062.db2.gz ZBUAFHSGFSDMDS-FQEVSTJZSA-N 0 0 459.571 4.759 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC001456844712 1066705137 /nfs/dbraw/zinc/70/51/37/1066705137.db2.gz WNIQDMDIZTYZEJ-UHFFFAOYSA-N 0 0 458.477 4.545 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@H](C)C2)s1 ZINC001492630579 1066705076 /nfs/dbraw/zinc/70/50/76/1066705076.db2.gz XDENDJUEIMMFTA-HUUCEWRRSA-N 0 0 476.444 4.891 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492630560 1066705087 /nfs/dbraw/zinc/70/50/87/1066705087.db2.gz WWHATQMXYVWDHN-KGLIPLIRSA-N 0 0 463.449 4.851 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)C2)s1 ZINC001492630559 1066705182 /nfs/dbraw/zinc/70/51/82/1066705182.db2.gz WWHATQMXYVWDHN-KBPBESRZSA-N 0 0 463.449 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)cc2C1 ZINC001446429142 1066705251 /nfs/dbraw/zinc/70/52/51/1066705251.db2.gz SEWRBAJBRRHIFY-LJQANCHMSA-N 0 0 458.624 4.573 20 0 JJADRN CC(C)(CO)[C@@H](CNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC001446430915 1066705262 /nfs/dbraw/zinc/70/52/62/1066705262.db2.gz WJFCPQMTCSFNEK-QHCPKHFHSA-N 0 0 458.537 4.606 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(CC(C)C)C2CCCC2)s1 ZINC001492630589 1066705599 /nfs/dbraw/zinc/70/55/99/1066705599.db2.gz XGFJTSBFORPGND-KRWDZBQOSA-N 0 0 467.643 4.899 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492630666 1066705648 /nfs/dbraw/zinc/70/56/48/1066705648.db2.gz YQYOXAWXXWEOIN-ICSRJNTNSA-N 0 0 482.654 4.579 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC001492630705 1066705708 /nfs/dbraw/zinc/70/57/08/1066705708.db2.gz ZGIGPPYYDCJHKB-RVKKMQEKSA-N 0 0 465.545 4.978 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001545985864 1066705675 /nfs/dbraw/zinc/70/56/75/1066705675.db2.gz QRVAPUSTVMCFLM-FJCAJZEUSA-N 0 0 451.995 4.602 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccccc1Cl ZINC001456854027 1066706105 /nfs/dbraw/zinc/70/61/05/1066706105.db2.gz OLAZHZGVOLVADS-DEOSSOPVSA-N 0 0 459.933 4.722 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccccc1Cl ZINC001456851951 1066706306 /nfs/dbraw/zinc/70/63/06/1066706306.db2.gz IBTIFXVGAJACDM-FQEVSTJZSA-N 0 0 453.951 4.554 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1)NC(=O)OC(C)(C)C ZINC001545986159 1066706230 /nfs/dbraw/zinc/70/62/30/1066706230.db2.gz AGTQYKVKQCAUIY-QZTJIDSGSA-N 0 0 489.583 4.992 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545985902 1066706308 /nfs/dbraw/zinc/70/63/08/1066706308.db2.gz RZJIQBDAIOWUIS-HNNXBMFYSA-N 0 0 451.272 4.805 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631027 1066706823 /nfs/dbraw/zinc/70/68/23/1066706823.db2.gz DRMZVAPBHWWFAN-MJGOQNOKSA-N 0 0 499.685 4.925 20 0 JJADRN O=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)[C@H](Oc1ccccc1)c1ccccc1 ZINC001456857740 1066706901 /nfs/dbraw/zinc/70/69/01/1066706901.db2.gz BIENUIGOXWXEQW-PBGLPUTKSA-N 0 0 455.476 4.948 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492631200 1066707405 /nfs/dbraw/zinc/70/74/05/1066707405.db2.gz HRJYYYPVBMLLFD-MGPUTAFESA-N 0 0 461.582 4.577 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)o1 ZINC001456860306 1066707836 /nfs/dbraw/zinc/70/78/36/1066707836.db2.gz HMIHDEWNHADLIY-YWZLYKJASA-N 0 0 459.333 4.764 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)o1 ZINC001456860289 1066707921 /nfs/dbraw/zinc/70/79/21/1066707921.db2.gz HMIHDEWNHADLIY-MGPUTAFESA-N 0 0 459.333 4.764 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC001456859684 1066707960 /nfs/dbraw/zinc/70/79/60/1066707960.db2.gz FBBPNBJAPWNKNP-QGZVFWFLSA-N 0 0 454.388 4.888 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1)OC ZINC001545986390 1066708004 /nfs/dbraw/zinc/70/80/04/1066708004.db2.gz FELWYVLWFRVGQF-CTNGQTDRSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCCN(CC(F)(F)F)CC2)s1 ZINC001492631502 1066708491 /nfs/dbraw/zinc/70/84/91/1066708491.db2.gz LRSUDQAREFCWKD-SFHVURJKSA-N 0 0 492.615 4.820 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545986578 1066708574 /nfs/dbraw/zinc/70/85/74/1066708574.db2.gz HSEQEBHLAQRILP-VQTJNVASSA-N 0 0 461.651 4.984 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545986797 1066709033 /nfs/dbraw/zinc/70/90/33/1066709033.db2.gz KOOZMEREZYWXHG-VAMGGRTRSA-N 0 0 481.707 4.540 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1)OC ZINC001545986699 1066709066 /nfs/dbraw/zinc/70/90/66/1066709066.db2.gz JEJFNQAAYVILIL-UNMCSNQZSA-N 0 0 487.620 4.519 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446485198 1066709605 /nfs/dbraw/zinc/70/96/05/1066709605.db2.gz HEXBKCQBAZXTEH-CZYKHXBRSA-N 0 0 458.530 4.504 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC001446489879 1066710063 /nfs/dbraw/zinc/71/00/63/1066710063.db2.gz FGZPBTPQFFGWTR-IBGZPJMESA-N 0 0 456.534 4.988 20 0 JJADRN Cc1ccc(OC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)c(I)c1 ZINC001456868042 1066710194 /nfs/dbraw/zinc/71/01/94/1066710194.db2.gz PLDBNIGVZDZNFE-UHFFFAOYSA-N 0 0 450.316 4.870 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492632342 1066710380 /nfs/dbraw/zinc/71/03/80/1066710380.db2.gz CEPSKMVRFKZHLP-ZWKOTPCHSA-N 0 0 469.655 4.948 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCC(NC(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)s1 ZINC001492632354 1066710533 /nfs/dbraw/zinc/71/05/33/1066710533.db2.gz CKEFBYGOIOEJPG-MRXNPFEDSA-N 0 0 484.645 4.682 20 0 JJADRN COCc1nc(C(=O)Nc2nc3cc(Br)ccc3n2-c2ccc(C)cc2)cs1 ZINC001456869140 1066710596 /nfs/dbraw/zinc/71/05/96/1066710596.db2.gz RFSHXUJIADMHOQ-UHFFFAOYSA-N 0 0 457.353 4.952 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456869044 1066710614 /nfs/dbraw/zinc/71/06/14/1066710614.db2.gz CECIWAXMLWHYKI-RKVPGOIHSA-N 0 0 452.393 4.907 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456869042 1066710711 /nfs/dbraw/zinc/71/07/11/1066710711.db2.gz CECIWAXMLWHYKI-MPGHIAIKSA-N 0 0 452.393 4.907 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1)c1cccs1 ZINC001446491545 1066710737 /nfs/dbraw/zinc/71/07/37/1066710737.db2.gz ZSVAYHATGNZYQW-VXKWHMMOSA-N 0 0 452.551 4.546 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492632477 1066710948 /nfs/dbraw/zinc/71/09/48/1066710948.db2.gz FVJCXAVAQXCQDL-QAPCUYQASA-N 0 0 488.683 4.602 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@H]1C)OC ZINC001545986982 1066711389 /nfs/dbraw/zinc/71/13/89/1066711389.db2.gz NENWJTWAQQSPBP-HMXCVIKNSA-N 0 0 469.630 4.899 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492632615 1066711399 /nfs/dbraw/zinc/71/13/99/1066711399.db2.gz IYUFPCWQLFCVTC-GFCCVEGCSA-N 0 0 497.477 4.738 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2n[nH]c3c2cccc3Cl)cc1OC ZINC001446504551 1066711503 /nfs/dbraw/zinc/71/15/03/1066711503.db2.gz ULFFXPKFEWEMJG-UHFFFAOYSA-N 0 0 450.882 4.738 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492632723 1066712054 /nfs/dbraw/zinc/71/20/54/1066712054.db2.gz LCMQWDYOFNDAEG-SFHVURJKSA-N 0 0 469.655 4.862 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)s1 ZINC001492633036 1066712595 /nfs/dbraw/zinc/71/25/95/1066712595.db2.gz SOFBSCROHCYUHY-LZQZEXGQSA-N 0 0 474.675 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)CCc1cccc(F)c1Br ZINC001456879535 1066712749 /nfs/dbraw/zinc/71/27/49/1066712749.db2.gz IVNDVKYIGVMFBT-INIZCTEOSA-N 0 0 457.384 4.817 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001456879492 1066712849 /nfs/dbraw/zinc/71/28/49/1066712849.db2.gz GCUIJPJXEMOXIE-UHFFFAOYSA-N 0 0 457.383 4.561 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)s1 ZINC001492633178 1066713555 /nfs/dbraw/zinc/71/35/55/1066713555.db2.gz VZPFVOVDDMGBIK-RYQLBKOJSA-N 0 0 474.675 4.996 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001456882579 1066713780 /nfs/dbraw/zinc/71/37/80/1066713780.db2.gz MIWPBRJNQJIQTB-IPMKNSEASA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001492633365 1066713892 /nfs/dbraw/zinc/71/38/92/1066713892.db2.gz YWDHUAKPVKAAKO-ROUUACIJSA-N 0 0 492.615 4.705 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001446519603 1066714161 /nfs/dbraw/zinc/71/41/61/1066714161.db2.gz NZHDTXNDOXEVLH-VWJHXPHZSA-N 0 0 462.421 4.898 20 0 JJADRN CC[C@H](OC1CCCC1)C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456887905 1066714352 /nfs/dbraw/zinc/71/43/52/1066714352.db2.gz NSEXPUZJBAWZBI-ISJBWFOZSA-N 0 0 458.599 4.744 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)CC1 ZINC001492633776 1066714535 /nfs/dbraw/zinc/71/45/35/1066714535.db2.gz ONBKQHBUNRYYDN-MRXNPFEDSA-N 0 0 455.990 4.746 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCCC3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446520623 1066714573 /nfs/dbraw/zinc/71/45/73/1066714573.db2.gz PXCRPEARXMHYDJ-VGOFRKELSA-N 0 0 458.965 4.801 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520129 1066714611 /nfs/dbraw/zinc/71/46/11/1066714611.db2.gz YPHCGKDCPPXFSV-BXKMTCNYSA-N 0 0 452.002 4.806 20 0 JJADRN COc1ccc([C@H](NC(=O)CCC(=O)Nc2c(F)cccc2F)c2ccccc2OC)cc1 ZINC001446520048 1066714736 /nfs/dbraw/zinc/71/47/36/1066714736.db2.gz XZAHAMNCTYFBSL-DEOSSOPVSA-N 0 0 454.473 4.607 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)c1nccs1)OC ZINC001545987151 1066714788 /nfs/dbraw/zinc/71/47/88/1066714788.db2.gz PLROLSHZMIMFFC-IPMKNSEASA-N 0 0 492.690 4.514 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633475 1066714881 /nfs/dbraw/zinc/71/48/81/1066714881.db2.gz COOSQRDZBVXHTJ-INIZCTEOSA-N 0 0 474.675 4.807 20 0 JJADRN C[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456890584 1066715294 /nfs/dbraw/zinc/71/52/94/1066715294.db2.gz QWRTUEYCSSPCLD-JNMBUGSCSA-N 0 0 450.579 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)CSCc1coc(-c2ccccc2)n1 ZINC001456890970 1066715381 /nfs/dbraw/zinc/71/53/81/1066715381.db2.gz ZMBVCPZSNSNBDZ-HXUWFJFHSA-N 0 0 459.612 4.871 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)c(-c3ccc(C)cc3)n2)cc1 ZINC001446521749 1066715286 /nfs/dbraw/zinc/71/52/86/1066715286.db2.gz AUYNHMJKFKFYSL-JTHBVZDNSA-N 0 0 457.496 4.743 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001492634010 1066715913 /nfs/dbraw/zinc/71/59/13/1066715913.db2.gz XIFJDYBHJDQALP-HOTGVXAUSA-N 0 0 455.990 4.602 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1coc2cc(O)ccc12 ZINC001446529652 1066716527 /nfs/dbraw/zinc/71/65/27/1066716527.db2.gz PNKSIJLUFZLOQC-UHFFFAOYSA-N 0 0 459.568 4.633 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492634215 1066716584 /nfs/dbraw/zinc/71/65/84/1066716584.db2.gz GIJDLTGWMMDKRJ-HXUWFJFHSA-N 0 0 482.629 4.625 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC001456897356 1066716959 /nfs/dbraw/zinc/71/69/59/1066716959.db2.gz RKOCKPVCNXVQRW-HNNXBMFYSA-N 0 0 453.539 4.800 20 0 JJADRN CN(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001446534122 1066717143 /nfs/dbraw/zinc/71/71/43/1066717143.db2.gz YLMNEBBIHWTHFG-ZZJWQFMZSA-N 0 0 457.398 4.806 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492634475 1066717110 /nfs/dbraw/zinc/71/71/10/1066717110.db2.gz OWUXIMGBQGNDGR-SFHVURJKSA-N 0 0 469.561 4.836 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492634553 1066717205 /nfs/dbraw/zinc/71/72/05/1066717205.db2.gz RKHRDHNONBLTSL-UHFFFAOYSA-N 0 0 453.896 4.541 20 0 JJADRN C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001446533424 1066717221 /nfs/dbraw/zinc/71/72/21/1066717221.db2.gz VRLPEEZTNWXKKZ-QXGIVVGOSA-N 0 0 451.405 4.942 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001446533395 1066717238 /nfs/dbraw/zinc/71/72/38/1066717238.db2.gz ZLIAXUSSKHRUCF-AYHJJNSGSA-N 0 0 453.674 4.542 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492634593 1066717278 /nfs/dbraw/zinc/71/72/78/1066717278.db2.gz SNNYTBHRFTWKRD-OKILXGFUSA-N 0 0 464.433 4.634 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001492634833 1066717631 /nfs/dbraw/zinc/71/76/31/1066717631.db2.gz YQIITXSXAWDRLA-HXUWFJFHSA-N 0 0 489.414 4.596 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2cnccc2OC(C)(C)C)c1)c1ccccc1 ZINC001446534794 1066717655 /nfs/dbraw/zinc/71/76/55/1066717655.db2.gz IZNCRNLQHPEGKD-QGZVFWFLSA-N 0 0 453.564 4.551 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCCCOc1cccc(F)c1 ZINC001456902440 1066717988 /nfs/dbraw/zinc/71/79/88/1066717988.db2.gz WYKYWVFYAKQLOH-UHFFFAOYSA-N 0 0 453.461 4.708 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)CCCC2)cc1 ZINC001446540348 1066718205 /nfs/dbraw/zinc/71/82/05/1066718205.db2.gz WIRMNYVSSMXVMH-YADHBBJMSA-N 0 0 452.620 4.616 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cscn1 ZINC001492635138 1066718324 /nfs/dbraw/zinc/71/83/24/1066718324.db2.gz IHBYAOJCMPTLNX-UHFFFAOYSA-N 0 0 486.642 4.744 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001456908521 1066718503 /nfs/dbraw/zinc/71/85/03/1066718503.db2.gz CWVKPQKZMRRKJQ-NSHDSACASA-N 0 0 451.836 4.618 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)CCCC2)cc1 ZINC001446540326 1066718466 /nfs/dbraw/zinc/71/84/66/1066718466.db2.gz WIRMNYVSSMXVMH-FCHUYYIVSA-N 0 0 452.620 4.616 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492635400 1066718892 /nfs/dbraw/zinc/71/88/92/1066718892.db2.gz QMJIBOWLILGXSC-UHFFFAOYSA-N 0 0 460.435 4.788 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cscn1 ZINC001492635666 1066718903 /nfs/dbraw/zinc/71/89/03/1066718903.db2.gz YIOXJHGLIZPZQJ-GOSISDBHSA-N 0 0 486.642 4.744 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NCC1(C2CC2)CC1 ZINC001446541769 1066718917 /nfs/dbraw/zinc/71/89/17/1066718917.db2.gz YRZBONIUIYOPRY-UHFFFAOYSA-N 0 0 453.391 4.643 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC001456910559 1066718981 /nfs/dbraw/zinc/71/89/81/1066718981.db2.gz GPWVTIWGLSMZNX-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001492635769 1066719284 /nfs/dbraw/zinc/71/92/84/1066719284.db2.gz AESIDMIZVXUVFF-IFXJQAMLSA-N 0 0 484.906 4.925 20 0 JJADRN Cc1coc(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1 ZINC001492635955 1066719465 /nfs/dbraw/zinc/71/94/65/1066719465.db2.gz GTDMMSMEIRHCQK-UHFFFAOYSA-N 0 0 457.003 4.815 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cccc(F)c1Sc1ccccc1)Cc1ccccc1OC ZINC001446545534 1066719397 /nfs/dbraw/zinc/71/93/97/1066719397.db2.gz SPYBPWWBKHSQDI-SFHVURJKSA-N 0 0 453.535 4.747 20 0 JJADRN Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCc1ccccc1 ZINC001492636077 1066719906 /nfs/dbraw/zinc/71/99/06/1066719906.db2.gz KOKRRXPYDHIOAW-UHFFFAOYSA-N 0 0 463.607 4.597 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)ccn1 ZINC001446551639 1066719970 /nfs/dbraw/zinc/71/99/70/1066719970.db2.gz GWPDZNBGJYTQKA-GOTSBHOMSA-N 0 0 453.583 4.615 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001446551446 1066720134 /nfs/dbraw/zinc/72/01/34/1066720134.db2.gz GSPNAKMMUDDYGS-NJYVYQBISA-N 0 0 450.645 4.528 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@H](CC)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001456913156 1066720188 /nfs/dbraw/zinc/72/01/88/1066720188.db2.gz JFLNFCUACNMKRK-WIYYLYMNSA-N 0 0 450.501 4.809 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)NCC(F)F ZINC001456914734 1066720246 /nfs/dbraw/zinc/72/02/46/1066720246.db2.gz AERKFKYCUKURNP-UHFFFAOYSA-N 0 0 457.333 4.774 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553584 1066720518 /nfs/dbraw/zinc/72/05/18/1066720518.db2.gz KXIZCDHWNDACHN-JRAXSAEOSA-N 0 0 450.623 4.804 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(Cc2cccc(F)c2)C(C)C)n1 ZINC001492636373 1066720627 /nfs/dbraw/zinc/72/06/27/1066720627.db2.gz BYNWFEDWJQCMID-KRWDZBQOSA-N 0 0 470.618 4.637 20 0 JJADRN O=C(N1CCCCC[C@H]1C[C@@H](O)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001446559976 1066720565 /nfs/dbraw/zinc/72/05/65/1066720565.db2.gz SHXGENXINUUJCZ-FUHWJXTLSA-N 0 0 453.327 4.831 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@H]2C)n1 ZINC001492636421 1066721075 /nfs/dbraw/zinc/72/10/75/1066721075.db2.gz CMLBSBXTUGLLDE-GZBFAFLISA-N 0 0 463.449 4.849 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)N[C@](C)(CO)c3cccc(Br)c3)cs2)CC1 ZINC001456917347 1066721315 /nfs/dbraw/zinc/72/13/15/1066721315.db2.gz QKWRTCOUBIJBQY-VTJXTGGHSA-N 0 0 451.430 4.766 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492636493 1066721682 /nfs/dbraw/zinc/72/16/82/1066721682.db2.gz RZTINHQHDQJUFA-NRFANRHFSA-N 0 0 497.615 4.959 20 0 JJADRN Cc1coc(C)c1Cn1c(CC2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492636513 1066721700 /nfs/dbraw/zinc/72/17/00/1066721700.db2.gz SUWMLVZRXVSXPE-HXUWFJFHSA-N 0 0 457.619 4.620 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)NCc3ccc(COC4CCOCC4)cc3)cc21 ZINC001446567941 1066721685 /nfs/dbraw/zinc/72/16/85/1066721685.db2.gz JYOUBWXDOFUJTE-UHFFFAOYSA-N 0 0 457.368 4.864 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001456919106 1066721870 /nfs/dbraw/zinc/72/18/70/1066721870.db2.gz SUNYZUKLIXSSTF-UHFFFAOYSA-N 0 0 453.404 4.536 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC001545987425 1066721761 /nfs/dbraw/zinc/72/17/61/1066721761.db2.gz SRGJHAGMSDBFBA-WIYYLYMNSA-N 0 0 493.574 4.608 20 0 JJADRN COc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C(=O)OC(C)(C)C)c1 ZINC001446569024 1066721795 /nfs/dbraw/zinc/72/17/95/1066721795.db2.gz OGGPPMCHHQZHHJ-FQEVSTJZSA-N 0 0 458.530 4.994 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCSC2)CCO1 ZINC001546085619 1066722193 /nfs/dbraw/zinc/72/21/93/1066722193.db2.gz OUGKFBIUVMLJOU-AOMKIAJQSA-N 0 0 452.571 4.695 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001446570918 1066722204 /nfs/dbraw/zinc/72/22/04/1066722204.db2.gz SVNNRJYNMKBIOR-MRXNPFEDSA-N 0 0 454.596 4.746 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2c(C)noc2C)CCO1 ZINC001546085624 1066722254 /nfs/dbraw/zinc/72/22/54/1066722254.db2.gz OVBNOVGJQJFTGY-OAQYLSRUSA-N 0 0 478.366 4.505 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)n1 ZINC001492636933 1066722578 /nfs/dbraw/zinc/72/25/78/1066722578.db2.gz IAQBIABNYFRFAX-GFCCVEGCSA-N 0 0 481.489 4.936 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492637118 1066722691 /nfs/dbraw/zinc/72/26/91/1066722691.db2.gz LFDWNMDGSNEOKB-FUHWJXTLSA-N 0 0 462.664 4.663 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001456922800 1066722841 /nfs/dbraw/zinc/72/28/41/1066722841.db2.gz BSCGRTFSHIVLAI-UHFFFAOYSA-N 0 0 453.587 4.507 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)CCOc3ccc(Cl)cc3Br)C2)cc1 ZINC001456924297 1066723464 /nfs/dbraw/zinc/72/34/64/1066723464.db2.gz QEOVMKSUGXMWIM-KRWDZBQOSA-N 0 0 451.792 4.965 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)n1 ZINC001492637485 1066723536 /nfs/dbraw/zinc/72/35/36/1066723536.db2.gz SAYWTPINNGJREL-GOSISDBHSA-N 0 0 489.089 4.825 20 0 JJADRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1OC ZINC001456926791 1066723821 /nfs/dbraw/zinc/72/38/21/1066723821.db2.gz UOIPPDJTSCOQAS-UHFFFAOYSA-N 0 0 455.532 4.932 20 0 JJADRN C[C@@](CO)(NC(=O)CCOc1ccccc1-c1ccccc1)c1cccc(Br)c1 ZINC001456928188 1066723899 /nfs/dbraw/zinc/72/38/99/1066723899.db2.gz LXHXRZXPXKOTMF-DEOSSOPVSA-N 0 0 454.364 4.909 20 0 JJADRN C[C@@H](C[C@H](O)c1cccs1)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001446588074 1066723952 /nfs/dbraw/zinc/72/39/52/1066723952.db2.gz OBZXVGYIBOLKSX-ICSRJNTNSA-N 0 0 458.624 4.645 20 0 JJADRN C[C@H](C[C@H](O)c1cccs1)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001446588079 1066724078 /nfs/dbraw/zinc/72/40/78/1066724078.db2.gz OBZXVGYIBOLKSX-QUCCMNQESA-N 0 0 458.624 4.645 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456925980 1066724020 /nfs/dbraw/zinc/72/40/20/1066724020.db2.gz UXUDELWRNZPFMT-NYFKNOIKSA-N 0 0 452.904 4.975 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 ZINC001456926502 1066724046 /nfs/dbraw/zinc/72/40/46/1066724046.db2.gz RYOYOBCCYZLELD-UHFFFAOYSA-N 0 0 453.516 4.945 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C)C2)n1 ZINC001492637543 1066724074 /nfs/dbraw/zinc/72/40/74/1066724074.db2.gz UKFCKZYTSPAQPH-DZGCQCFKSA-N 0 0 462.417 4.501 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)s1 ZINC001446589507 1066724628 /nfs/dbraw/zinc/72/46/28/1066724628.db2.gz SESDCIWDIVMWJV-UHFFFAOYSA-N 0 0 452.923 4.814 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCCCO)n1 ZINC001492637803 1066724652 /nfs/dbraw/zinc/72/46/52/1066724652.db2.gz ZXLGQGPCWXJAIK-HNNXBMFYSA-N 0 0 478.460 4.875 20 0 JJADRN CCCCCCN(Cc1ccco1)C(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001456930909 1066725008 /nfs/dbraw/zinc/72/50/08/1066725008.db2.gz AGPHUTPYUFNVRV-UHFFFAOYSA-N 0 0 458.603 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC001446593000 1066725034 /nfs/dbraw/zinc/72/50/34/1066725034.db2.gz PJQLVMNJWZOLDQ-VXNXHJTFSA-N 0 0 450.579 4.600 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001446605345 1066725053 /nfs/dbraw/zinc/72/50/53/1066725053.db2.gz BHWZUAWOGALXME-HNNXBMFYSA-N 0 0 452.420 4.913 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)n1 ZINC001492637979 1066725155 /nfs/dbraw/zinc/72/51/55/1066725155.db2.gz BJHDDUDFQUUGNU-ICSRJNTNSA-N 0 0 476.650 4.996 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001492637965 1066725180 /nfs/dbraw/zinc/72/51/80/1066725180.db2.gz BJBZCIVMPLVRNW-QGZVFWFLSA-N 0 0 499.685 4.688 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001456935027 1066725484 /nfs/dbraw/zinc/72/54/84/1066725484.db2.gz FJUWOUMCSLQMPP-QFIPXVFZSA-N 0 0 452.501 4.901 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1scnc1C)Oc1ccccc1F ZINC001545987709 1066725752 /nfs/dbraw/zinc/72/57/52/1066725752.db2.gz VWQGMNZKLDVBOZ-QZTJIDSGSA-N 0 0 459.591 4.570 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cscn2)n1 ZINC001492638077 1066725610 /nfs/dbraw/zinc/72/56/10/1066725610.db2.gz CRRQKFYMAPYQQS-ZDUSSCGKSA-N 0 0 460.579 4.809 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nnc2C(C)(C)C)n1 ZINC001492638308 1066726116 /nfs/dbraw/zinc/72/61/16/1066726116.db2.gz FVXYQUHDWYEJHO-RDJZCZTQSA-N 0 0 462.664 4.590 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CC(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC001446619240 1066726128 /nfs/dbraw/zinc/72/61/28/1066726128.db2.gz SWENMGUZQLXRRN-YQOVMPOYSA-N 0 0 456.608 4.614 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC001446614501 1066726163 /nfs/dbraw/zinc/72/61/63/1066726163.db2.gz ZWMAAJYMUDLVOQ-UHFFFAOYSA-N 0 0 459.315 4.944 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC001545987809 1066726522 /nfs/dbraw/zinc/72/65/22/1066726522.db2.gz XEDAXEFTVHJNFC-MDNMOBSYSA-N 0 0 453.631 4.597 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)s1 ZINC001446621114 1066726567 /nfs/dbraw/zinc/72/65/67/1066726567.db2.gz PHFTYSRAUPKRKU-AWEZNQCLSA-N 0 0 451.976 4.756 20 0 JJADRN C/C(=C\C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1cccc(Cl)c1 ZINC001446623059 1066726660 /nfs/dbraw/zinc/72/66/60/1066726660.db2.gz TWTGASKWYFNNSM-RVDMUPIBSA-N 0 0 451.767 4.989 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001456943367 1066727041 /nfs/dbraw/zinc/72/70/41/1066727041.db2.gz FTUVVMCGOUXOBZ-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OC)c3ccc4ccccc4c3)[nH]n2)c1C ZINC001446637268 1066727047 /nfs/dbraw/zinc/72/70/47/1066727047.db2.gz XHNYDCRIMJDZSH-MYYSRTQBSA-N 0 0 459.550 4.658 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492638644 1066727038 /nfs/dbraw/zinc/72/70/38/1066727038.db2.gz JBOMLSGJBZZZTQ-WBVHZDCISA-N 0 0 496.578 4.649 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492638643 1066727160 /nfs/dbraw/zinc/72/71/60/1066727160.db2.gz JBOMLSGJBZZZTQ-RDJZCZTQSA-N 0 0 496.578 4.649 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)n1 ZINC001492638752 1066727182 /nfs/dbraw/zinc/72/71/82/1066727182.db2.gz IWTJSHFBFPAPJA-PKOBYXMFSA-N 0 0 492.690 4.637 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2c(F)cc(Br)cc2F)cc1OC ZINC001456949293 1066728276 /nfs/dbraw/zinc/72/82/76/1066728276.db2.gz RROGISFJISXRHV-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C)[C@H]2C)n1 ZINC001492639119 1066728291 /nfs/dbraw/zinc/72/82/91/1066728291.db2.gz NPSKFRXONJBXFV-QRQLOZEOSA-N 0 0 457.669 4.798 20 0 JJADRN COc1ccc(C2(CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)CCC2)cc1 ZINC001446645543 1066728351 /nfs/dbraw/zinc/72/83/51/1066728351.db2.gz VVNNMJHLKJGUKY-HSZRJFAPSA-N 0 0 450.579 4.768 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc2[nH]c(=S)[nH]c2c1)NCC1CCCCC1 ZINC001446646249 1066728392 /nfs/dbraw/zinc/72/83/92/1066728392.db2.gz FEKQKYWVVWDHFN-UHFFFAOYSA-N 0 0 454.621 4.893 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)n1 ZINC001492639481 1066728740 /nfs/dbraw/zinc/72/87/40/1066728740.db2.gz QNVZVASCZNJLIY-DZGCQCFKSA-N 0 0 482.437 4.958 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)n1 ZINC001492639389 1066728798 /nfs/dbraw/zinc/72/87/98/1066728798.db2.gz OFSMOQOLCKCXKX-AEFFLSMTSA-N 0 0 476.046 4.909 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492639414 1066728819 /nfs/dbraw/zinc/72/88/19/1066728819.db2.gz PXXAKDQQKBMSNU-YOEHRIQHSA-N 0 0 450.534 4.611 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)cc1Cl)c1nc(C2CCCCC2)no1 ZINC001456955469 1066729155 /nfs/dbraw/zinc/72/91/55/1066729155.db2.gz BTHDJHAEHWDMCH-SNVBAGLBSA-N 0 0 459.715 4.866 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)CCOc2cccc(I)c2)cc1 ZINC001456954704 1066729222 /nfs/dbraw/zinc/72/92/22/1066729222.db2.gz UWYJWXHMJIRNHM-UHFFFAOYSA-N 0 0 451.348 4.805 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(Cc3ccco3)C(C)C)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492639622 1066729244 /nfs/dbraw/zinc/72/92/44/1066729244.db2.gz RLZLYWWWRFWXPT-KOSHJBKYSA-N 0 0 473.643 4.895 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492639537 1066729253 /nfs/dbraw/zinc/72/92/53/1066729253.db2.gz PKKCGMHRFSYRMF-VBHSOAQHSA-N 0 0 494.434 4.622 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC001492639968 1066729701 /nfs/dbraw/zinc/72/97/01/1066729701.db2.gz SMYVFKQGMNKPAV-QGZVFWFLSA-N 0 0 497.669 4.650 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(CCCO)CC2)n1 ZINC001492639849 1066729741 /nfs/dbraw/zinc/72/97/41/1066729741.db2.gz UGELDDHZFJUBDV-KRWDZBQOSA-N 0 0 473.618 4.554 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC001492640093 1066730191 /nfs/dbraw/zinc/73/01/91/1066730191.db2.gz WXDVZGGFEBNZIV-QGZVFWFLSA-N 0 0 487.073 4.661 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492640046 1066730223 /nfs/dbraw/zinc/73/02/23/1066730223.db2.gz VWUDJZISEZEFPJ-OXJNMPFZSA-N 0 0 476.046 4.940 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492640047 1066730242 /nfs/dbraw/zinc/73/02/42/1066730242.db2.gz VWUDJZISEZEFPJ-OXQOHEQNSA-N 0 0 476.046 4.940 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2COC(C)(C)OC2)n1 ZINC001492640009 1066730249 /nfs/dbraw/zinc/73/02/49/1066730249.db2.gz VPISUDKSSIZCII-HNNXBMFYSA-N 0 0 491.608 4.551 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)Cc3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492640064 1066730273 /nfs/dbraw/zinc/73/02/73/1066730273.db2.gz WMHVSGZJGICMCP-MZNJEOGPSA-N 0 0 473.618 4.663 20 0 JJADRN Cc1cnn(-c2c(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCCC3)c(C)nn2C)c1 ZINC001456962734 1066730345 /nfs/dbraw/zinc/73/03/45/1066730345.db2.gz DUOCWAXKBNSHSI-UHFFFAOYSA-N 0 0 459.516 4.873 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C ZINC001545987977 1066730402 /nfs/dbraw/zinc/73/04/02/1066730402.db2.gz ZMBCLGQLVISHJD-WOJBJXKFSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccco2)n1 ZINC001492640279 1066730724 /nfs/dbraw/zinc/73/07/24/1066730724.db2.gz YNYZTEMEOCNJTE-GDBMZVCRSA-N 0 0 470.624 4.629 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456963390 1066730864 /nfs/dbraw/zinc/73/08/64/1066730864.db2.gz GOFGXMIJRUYCSB-SMIHKQSGSA-N 0 0 452.595 4.887 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001492640438 1066731108 /nfs/dbraw/zinc/73/11/08/1066731108.db2.gz ZJZISXOWZRBVJU-JKSUJKDBSA-N 0 0 472.684 4.711 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)n1 ZINC001492640358 1066731281 /nfs/dbraw/zinc/73/12/81/1066731281.db2.gz WIXQMIYIHCFNSR-SFHVURJKSA-N 0 0 474.675 4.809 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC001456964466 1066731234 /nfs/dbraw/zinc/73/12/34/1066731234.db2.gz JWDWSCUDDFYPCP-UXHICEINSA-N 0 0 481.467 4.872 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456965621 1066731670 /nfs/dbraw/zinc/73/16/70/1066731670.db2.gz AUWFSOJKKLSMIU-QFIPXVFZSA-N 0 0 454.979 4.655 20 0 JJADRN C[C@H](NC(=O)[C@@H](C)c1ccc(I)cc1)c1nc(C2CCCCC2)no1 ZINC001456965695 1066731739 /nfs/dbraw/zinc/73/17/39/1066731739.db2.gz XGYYZBUTYCWFSJ-STQMWFEESA-N 0 0 453.324 4.703 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(C)C)n1 ZINC001492640495 1066731827 /nfs/dbraw/zinc/73/18/27/1066731827.db2.gz XMBUZFWUJUVBKF-HNNXBMFYSA-N 0 0 451.600 4.645 20 0 JJADRN CCOCc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)cc1 ZINC001456966770 1066731900 /nfs/dbraw/zinc/73/19/00/1066731900.db2.gz TWOXBRRGMLXSGA-HXUWFJFHSA-N 0 0 456.539 4.545 20 0 JJADRN C[C@@]12CCC(=O)N1[C@@H](C(=O)Oc1cccc(OCc3cccc(C(F)(F)F)c3)c1)CS2 ZINC001456968755 1066732254 /nfs/dbraw/zinc/73/22/54/1066732254.db2.gz ZGLVAEYTWILBNP-WIYYLYMNSA-N 0 0 451.466 4.644 20 0 JJADRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cc(F)c(F)cc1I ZINC001456968338 1066732308 /nfs/dbraw/zinc/73/23/08/1066732308.db2.gz CQDQZAZYGCPQLQ-UHFFFAOYSA-N 0 0 455.246 4.653 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC001456968067 1066732418 /nfs/dbraw/zinc/73/24/18/1066732418.db2.gz BYJFXPFZNRBHKY-UHFFFAOYSA-N 0 0 454.617 4.872 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCC(C)(C)O)CCO2)n1 ZINC001492640872 1066732781 /nfs/dbraw/zinc/73/27/81/1066732781.db2.gz GIDAYRMIYNZXDH-QGZVFWFLSA-N 0 0 482.437 4.756 20 0 JJADRN O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(F)c(F)cc1I ZINC001456972090 1066732873 /nfs/dbraw/zinc/73/28/73/1066732873.db2.gz PMORVNJMARXWAB-UHFFFAOYSA-N 0 0 456.255 4.874 20 0 JJADRN CCc1c(C(=O)Nc2cc(F)c(F)cc2I)cnn1-c1ccccc1 ZINC001456971819 1066733004 /nfs/dbraw/zinc/73/30/04/1066733004.db2.gz KGJDKJADHXGPSX-UHFFFAOYSA-N 0 0 453.230 4.570 20 0 JJADRN Cc1nc2c(cccc2C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)o1 ZINC001446709061 1066733005 /nfs/dbraw/zinc/73/30/05/1066733005.db2.gz JCESYDNKJROBSY-UHFFFAOYSA-N 0 0 457.895 4.548 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1c(F)cccc1Cl ZINC001446711357 1066733057 /nfs/dbraw/zinc/73/30/57/1066733057.db2.gz MXOVQRRSSUAYII-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCOC(C)(C)C)CCO2)n1 ZINC001492641051 1066733416 /nfs/dbraw/zinc/73/34/16/1066733416.db2.gz IXNGPMJIMXRBCN-SFHVURJKSA-N 0 0 462.019 4.756 20 0 JJADRN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC001456974253 1066733483 /nfs/dbraw/zinc/73/34/83/1066733483.db2.gz AILQVDWDYJLSFJ-KRWDZBQOSA-N 0 0 453.004 4.582 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCC(CCCn3ccnc3)CC2)c2ccccc2)cc1 ZINC001446714898 1066733610 /nfs/dbraw/zinc/73/36/10/1066733610.db2.gz JTINPNBYOXWDPO-SANMLTNESA-N 0 0 458.606 4.772 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)CSc3cccs3)cc1)C[C@H](C)O2 ZINC001456976749 1066733865 /nfs/dbraw/zinc/73/38/65/1066733865.db2.gz OQFLKKQVMAPVJY-HNNXBMFYSA-N 0 0 454.573 4.915 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1c(C)c(Br)ccc1C(=O)OC ZINC001456976734 1066733975 /nfs/dbraw/zinc/73/39/75/1066733975.db2.gz MQWYGFHQOPVABV-GFCCVEGCSA-N 0 0 459.344 4.821 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)c12 ZINC001456979552 1066734426 /nfs/dbraw/zinc/73/44/26/1066734426.db2.gz SBQMQTBJKZHRFY-UHFFFAOYSA-N 0 0 459.911 4.745 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOCC(F)F)C2)n1 ZINC001492642072 1066735550 /nfs/dbraw/zinc/73/55/50/1066735550.db2.gz LZORXKOEBVKXIN-YQVWRLOYSA-N 0 0 483.629 4.627 20 0 JJADRN O=C(NCCSCc1ccnc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001446753147 1066735935 /nfs/dbraw/zinc/73/59/35/1066735935.db2.gz XIJVKCRCCPQIDJ-OAQYLSRUSA-N 0 0 452.963 4.852 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC001456984592 1066735926 /nfs/dbraw/zinc/73/59/26/1066735926.db2.gz PMYJIRVACUSIHX-LJQANCHMSA-N 0 0 454.014 4.665 20 0 JJADRN CCCCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)CC1 ZINC001456986677 1066735979 /nfs/dbraw/zinc/73/59/79/1066735979.db2.gz MFJOATZLAVFMIQ-UHFFFAOYSA-N 0 0 450.988 4.992 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC001456985621 1066736033 /nfs/dbraw/zinc/73/60/33/1066736033.db2.gz FVASJJDWFXRKMM-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546085956 1066736092 /nfs/dbraw/zinc/73/60/92/1066736092.db2.gz WAKULKIQBSPJEA-KSFYIVLOSA-N 0 0 485.620 4.631 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCCOCC(F)F)C2)n1 ZINC001492642471 1066736312 /nfs/dbraw/zinc/73/63/12/1066736312.db2.gz PUWYMRXOWGHRSX-HXUWFJFHSA-N 0 0 475.609 4.998 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NC[C@H]1CCC=CCCC1 ZINC001456988022 1066736569 /nfs/dbraw/zinc/73/65/69/1066736569.db2.gz ASBMAKDNSRZFHF-RXVVDRJESA-N 0 0 458.603 4.608 20 0 JJADRN C[C@H](C[C@H](C)O)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446764206 1066736897 /nfs/dbraw/zinc/73/68/97/1066736897.db2.gz RKMJEAQBDZBAGX-MVYHEMRASA-N 0 0 458.558 4.542 20 0 JJADRN CCOC(=O)c1cc(NC(=O)CNC(=O)c2ccc(F)cc2)ccc1Sc1ccccc1 ZINC001446758489 1066736973 /nfs/dbraw/zinc/73/69/73/1066736973.db2.gz MYZSECRUJWMICK-UHFFFAOYSA-N 0 0 452.507 4.522 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456989555 1066736956 /nfs/dbraw/zinc/73/69/56/1066736956.db2.gz FVWCXAPHXVEGMM-HRAATJIYSA-N 0 0 451.571 4.997 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCC(=O)N(C)C)C2)n1 ZINC001492642924 1066737502 /nfs/dbraw/zinc/73/75/02/1066737502.db2.gz VSNVJXZJSCKJIU-MRXNPFEDSA-N 0 0 491.036 4.755 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccccc1F ZINC001545989332 1066737401 /nfs/dbraw/zinc/73/74/01/1066737401.db2.gz DTIYTMSLPSSPNQ-MSOLQXFVSA-N 0 0 470.511 4.948 20 0 JJADRN COC[C@@]1(C(=O)N2CC=C(c3cccc4ccccc43)C2)CCCCN1C(=O)OC(C)(C)C ZINC001446768652 1066737591 /nfs/dbraw/zinc/73/75/91/1066737591.db2.gz QUXHWKFNHJVDCB-HHHXNRCGSA-N 0 0 450.579 4.872 20 0 JJADRN Cc1c(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001456992659 1066737690 /nfs/dbraw/zinc/73/76/90/1066737690.db2.gz SIOVAUCOZJJLBT-LBPRGKRZSA-N 0 0 450.848 4.735 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC4CC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC001492643067 1066737820 /nfs/dbraw/zinc/73/78/20/1066737820.db2.gz YKKGNYBXXTVCNZ-PMACEKPBSA-N 0 0 488.702 4.929 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC001456995423 1066737925 /nfs/dbraw/zinc/73/79/25/1066737925.db2.gz XYLBIMZEFJUWNM-UHFFFAOYSA-N 0 0 455.352 4.964 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)C2)cc1 ZINC001446778511 1066738060 /nfs/dbraw/zinc/73/80/60/1066738060.db2.gz GNIHSJMBHKKJKY-OAQYLSRUSA-N 0 0 459.512 4.882 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C2)cc1 ZINC001446779626 1066738085 /nfs/dbraw/zinc/73/80/85/1066738085.db2.gz HKTKRIABIRUARZ-JOCHJYFZSA-N 0 0 453.384 4.684 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)n1 ZINC001492643081 1066738338 /nfs/dbraw/zinc/73/83/38/1066738338.db2.gz YQBDHZHILSVBPL-STZQEDGTSA-N 0 0 483.682 4.764 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)Cc3csc(NC(=O)Cc4cccs4)n3)CC2)cc1 ZINC001446782647 1066738479 /nfs/dbraw/zinc/73/84/79/1066738479.db2.gz IOGUNLGUYXOPEP-UHFFFAOYSA-N 0 0 453.633 4.718 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001446784710 1066738586 /nfs/dbraw/zinc/73/85/86/1066738586.db2.gz BHKACHSTBAWNEV-BQYQJAHWSA-N 0 0 451.405 4.848 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)nnc1-c1cccc(C)c1 ZINC001446784993 1066738613 /nfs/dbraw/zinc/73/86/13/1066738613.db2.gz BIROATYCIYIFPJ-AVRDEDQJSA-N 0 0 450.608 4.984 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CC[C@](O)(c3ccccc3F)C2)n1 ZINC001492643167 1066738713 /nfs/dbraw/zinc/73/87/13/1066738713.db2.gz APZVXQHWNZDNMR-XMMPIXPASA-N 0 0 457.619 4.501 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)cnn1-c1ccc(OC)cc1 ZINC001457003937 1066739005 /nfs/dbraw/zinc/73/90/05/1066739005.db2.gz MTTUIQPNGVSNAR-UHFFFAOYSA-N 0 0 451.954 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)Cc2cc(Cl)ccc2Br)C1 ZINC001457002755 1066739020 /nfs/dbraw/zinc/73/90/20/1066739020.db2.gz QXAQALWWVZWAFF-HXUWFJFHSA-N 0 0 457.796 4.647 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@H](C)Cc3cc(C)cc(C)c3)n2)cc(Cl)c1OC ZINC001457003149 1066739067 /nfs/dbraw/zinc/73/90/67/1066739067.db2.gz BRANIAJNBOCKEQ-MRXNPFEDSA-N 0 0 457.958 4.704 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2cccn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446788391 1066739542 /nfs/dbraw/zinc/73/95/42/1066739542.db2.gz XOZXCQBAPFLCLN-XUZZJYLKSA-N 0 0 453.945 4.809 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCOc2cccc(I)c2)o1 ZINC001457004995 1066739601 /nfs/dbraw/zinc/73/96/01/1066739601.db2.gz DVOLGIYWLWBQFU-KDOFPFPSSA-N 0 0 453.320 4.961 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC001446789172 1066739578 /nfs/dbraw/zinc/73/95/78/1066739578.db2.gz RVMDPMCKLYPGBY-OFNKIYASSA-N 0 0 456.464 4.633 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC001446789178 1066739615 /nfs/dbraw/zinc/73/96/15/1066739615.db2.gz RVMDPMCKLYPGBY-REWPJTCUSA-N 0 0 456.464 4.633 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)nnc2C(C)(C)C)n1 ZINC001492643590 1066739678 /nfs/dbraw/zinc/73/96/78/1066739678.db2.gz NJKFOKIFXVGSET-LJQANCHMSA-N 0 0 486.730 4.838 20 0 JJADRN Cc1csc(CCCCn2c(N3C[C@@H](C)CC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492643605 1066739728 /nfs/dbraw/zinc/73/97/28/1066739728.db2.gz NXPNCWNHQGUBRJ-DFBJGRDBSA-N 0 0 475.703 4.979 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC001446789154 1066739666 /nfs/dbraw/zinc/73/96/66/1066739666.db2.gz RVMDPMCKLYPGBY-NFBKMPQASA-N 0 0 456.464 4.633 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC001446789916 1066739966 /nfs/dbraw/zinc/73/99/66/1066739966.db2.gz GWUYEZLSONNTMJ-UXHICEINSA-N 0 0 458.599 4.799 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC001446790311 1066740093 /nfs/dbraw/zinc/74/00/93/1066740093.db2.gz ORKPOVMCHKHIKK-NTKDMRAZSA-N 0 0 458.624 4.729 20 0 JJADRN Cc1csc(CCCCn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)n1 ZINC001492643761 1066740156 /nfs/dbraw/zinc/74/01/56/1066740156.db2.gz QKKOAJWDSAEXFR-DEOSSOPVSA-N 0 0 457.619 4.600 20 0 JJADRN Cc1csc(CCCCn2c(C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC001492643878 1066740205 /nfs/dbraw/zinc/74/02/05/1066740205.db2.gz DDUXXBKYHFQWTD-QGZVFWFLSA-N 0 0 460.673 4.706 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492643756 1066740252 /nfs/dbraw/zinc/74/02/52/1066740252.db2.gz QFUPUMSXVDGLSU-KRWDZBQOSA-N 0 0 461.582 4.550 20 0 JJADRN O=C(CN1c2ccccc2OCCC1=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001457009065 1066740665 /nfs/dbraw/zinc/74/06/65/1066740665.db2.gz LVTCOSZMTQNSLO-UHFFFAOYSA-N 0 0 450.535 4.767 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 ZINC001492644085 1066741026 /nfs/dbraw/zinc/74/10/26/1066741026.db2.gz XGEBISGCOMZWLR-BGYRXZFFSA-N 0 0 488.702 4.568 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)cc1)c1cccs1 ZINC001457011274 1066741715 /nfs/dbraw/zinc/74/17/15/1066741715.db2.gz FFQZHZWPPNKPEE-UHFFFAOYSA-N 0 0 455.337 4.569 20 0 JJADRN Cc1csc(CCCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CO)CC2)n1 ZINC001492644526 1066742720 /nfs/dbraw/zinc/74/27/20/1066742720.db2.gz QPEOZJURIFRXBI-UHFFFAOYSA-N 0 0 477.581 4.543 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446807125 1066742784 /nfs/dbraw/zinc/74/27/84/1066742784.db2.gz PULZZJBTNBEDBL-GOEBONIOSA-N 0 0 457.398 4.855 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CCCCCO)CCO2)n1 ZINC001492644703 1066743405 /nfs/dbraw/zinc/74/34/05/1066743405.db2.gz XCIRTHNCFLNOJD-JOCHJYFZSA-N 0 0 499.681 4.660 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)C2)n1 ZINC001492644735 1066743886 /nfs/dbraw/zinc/74/38/86/1066743886.db2.gz XYSYKFDVXVUTTF-MRXNPFEDSA-N 0 0 452.628 4.781 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc2c(c1)ncnc2NC ZINC001446814366 1066744008 /nfs/dbraw/zinc/74/40/08/1066744008.db2.gz SZHZVORVWNFZNP-LJQANCHMSA-N 0 0 457.500 4.821 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)c1 ZINC001492644898 1066744316 /nfs/dbraw/zinc/74/43/16/1066744316.db2.gz DTZJKSGRARGNAC-OALUTQOASA-N 0 0 490.073 4.799 20 0 JJADRN CC(C)(C)C(=O)c1ccc(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC001457017638 1066744396 /nfs/dbraw/zinc/74/43/96/1066744396.db2.gz GALWJOOHCKCWME-UHFFFAOYSA-N 0 0 456.589 4.624 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001446816983 1066744516 /nfs/dbraw/zinc/74/45/16/1066744516.db2.gz ZFNAFANWRVARBQ-QLFBSQMISA-N 0 0 455.393 4.718 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)c(Br)c1 ZINC001446816890 1066744558 /nfs/dbraw/zinc/74/45/58/1066744558.db2.gz XZXWVYBJMBSPMC-CQSZACIVSA-N 0 0 457.324 4.634 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)c1 ZINC001492645137 1066744897 /nfs/dbraw/zinc/74/48/97/1066744897.db2.gz LXJHMQAMCYAETN-UHFFFAOYSA-N 0 0 466.998 4.942 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001492645247 1066745390 /nfs/dbraw/zinc/74/53/90/1066745390.db2.gz PJWBXOLJOGLYRU-MGBGTMOVSA-N 0 0 487.695 4.701 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC001457021226 1066745531 /nfs/dbraw/zinc/74/55/31/1066745531.db2.gz SBMUWGNQUXUDTO-UHFFFAOYSA-N 0 0 452.498 4.841 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001457022278 1066746011 /nfs/dbraw/zinc/74/60/11/1066746011.db2.gz AEQNIEYIMHIBHR-HNNXBMFYSA-N 0 0 457.324 4.842 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC001457023851 1066746101 /nfs/dbraw/zinc/74/61/01/1066746101.db2.gz BRJYGOQHMPDNIJ-OALUTQOASA-N 0 0 454.998 4.584 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc4c(c3)OCO4)n2CCSCC(F)(F)F)c1 ZINC001492645575 1066746397 /nfs/dbraw/zinc/74/63/97/1066746397.db2.gz ARIAQBOVRGIYJJ-UHFFFAOYSA-N 0 0 470.542 4.976 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001492645639 1066746528 /nfs/dbraw/zinc/74/65/28/1066746528.db2.gz DEEFCSJPFKKUDN-UHFFFAOYSA-N 0 0 479.071 4.962 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001457024387 1066746568 /nfs/dbraw/zinc/74/65/68/1066746568.db2.gz RXBDFUDGBAPYIR-UHFFFAOYSA-N 0 0 457.939 4.617 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3F)n2CCCN(C)CC(F)(F)F)c1 ZINC001492645769 1066746923 /nfs/dbraw/zinc/74/69/23/1066746923.db2.gz INEDSXJFVSOBSK-UHFFFAOYSA-N 0 0 455.525 4.975 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)c2ccc(Cl)cc2)c1 ZINC001457025386 1066746962 /nfs/dbraw/zinc/74/69/62/1066746962.db2.gz GNTJXJXLTKUVMS-PKTZIBPZSA-N 0 0 457.954 4.818 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)c1=O ZINC001457025430 1066747118 /nfs/dbraw/zinc/74/71/18/1066747118.db2.gz HKZGCKQYZYJWFK-DEOSSOPVSA-N 0 0 451.929 4.830 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cn2)c1 ZINC001492645687 1066747139 /nfs/dbraw/zinc/74/71/39/1066747139.db2.gz FLGMWXWCYQTPNM-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN Cc1cc([C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)c2ccccc2Cl)ccc1F ZINC001457026758 1066747415 /nfs/dbraw/zinc/74/74/15/1066747415.db2.gz KMJAXHLGJJYVOL-XMMPIXPASA-N 0 0 454.977 4.639 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2c(C)noc2C)c1 ZINC001492645800 1066747432 /nfs/dbraw/zinc/74/74/32/1066747432.db2.gz JLSPJUQAPKCVSQ-MZNJEOGPSA-N 0 0 473.643 4.734 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCO2)c1 ZINC001492645864 1066747491 /nfs/dbraw/zinc/74/74/91/1066747491.db2.gz LQXWMOKBGKPNTK-MRXNPFEDSA-N 0 0 464.433 4.622 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457026777 1066747439 /nfs/dbraw/zinc/74/74/39/1066747439.db2.gz XJKRKCQFVOKBNF-LJQANCHMSA-N 0 0 456.989 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)nc2C1 ZINC001446847531 1066747828 /nfs/dbraw/zinc/74/78/28/1066747828.db2.gz LJJXJTRFKYQBLE-NRFANRHFSA-N 0 0 451.542 4.880 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(CO)c2)c1 ZINC001492645889 1066747974 /nfs/dbraw/zinc/74/79/74/1066747974.db2.gz MPJFHRAPYXEFDE-UHFFFAOYSA-N 0 0 472.412 4.583 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001492645963 1066748083 /nfs/dbraw/zinc/74/80/83/1066748083.db2.gz PYMUTNOVSKNTCJ-QFIPXVFZSA-N 0 0 492.487 4.994 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001446849461 1066748391 /nfs/dbraw/zinc/74/83/91/1066748391.db2.gz QQJFXFFPSFAIBJ-SFHVURJKSA-N 0 0 450.645 4.716 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2CSc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001457030019 1066748446 /nfs/dbraw/zinc/74/84/46/1066748446.db2.gz QOTQTOHPFPMTLJ-IRLDBZIGSA-N 0 0 458.004 4.839 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001492646076 1066748568 /nfs/dbraw/zinc/74/85/68/1066748568.db2.gz UWQAVXFOJRZITB-UHFFFAOYSA-N 0 0 465.044 4.572 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccccc2)c1 ZINC001492646018 1066748619 /nfs/dbraw/zinc/74/86/19/1066748619.db2.gz RRTUSCXXSRWQCQ-QFIPXVFZSA-N 0 0 486.439 4.950 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@H]2CSc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001457030027 1066748580 /nfs/dbraw/zinc/74/85/80/1066748580.db2.gz QOTQTOHPFPMTLJ-UNMCSNQZSA-N 0 0 458.004 4.839 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)CCCSc2ccc(OC)cc2)ccn1 ZINC001457029762 1066748620 /nfs/dbraw/zinc/74/86/20/1066748620.db2.gz KWXGXQJFPDBVDE-UHFFFAOYSA-N 0 0 451.548 4.753 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Nc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC001446860180 1066748733 /nfs/dbraw/zinc/74/87/33/1066748733.db2.gz DKHPNEYMIWQLNJ-KRWDZBQOSA-N 0 0 454.496 4.997 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)Nc1ccccc1Nc1c(F)cccc1F ZINC001446859959 1066748804 /nfs/dbraw/zinc/74/88/04/1066748804.db2.gz CYSCBENFPVIVDR-PEZBUJJGSA-N 0 0 457.502 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)CCCc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC001457031854 1066749032 /nfs/dbraw/zinc/74/90/32/1066749032.db2.gz HGAHXAKWHPTVDV-UHFFFAOYSA-N 0 0 453.583 4.960 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC001492646481 1066749471 /nfs/dbraw/zinc/74/94/71/1066749471.db2.gz IYDIWJHYLRYIHV-UHFFFAOYSA-N 0 0 475.622 4.925 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001492646410 1066749549 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KWWIKGVAPRSCGD-UHFFFAOYSA-N 0 0 486.589 4.587 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC ZINC001545990375 1066750437 /nfs/dbraw/zinc/75/04/37/1066750437.db2.gz RRFBSVRUMIVLJX-WOJBJXKFSA-N 0 0 463.667 4.690 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)c1 ZINC001492646837 1066750514 /nfs/dbraw/zinc/75/05/14/1066750514.db2.gz SYICYWPYUVPKJS-BVZFJXPGSA-N 0 0 489.686 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001492646994 1066750523 /nfs/dbraw/zinc/75/05/23/1066750523.db2.gz CLBRRQFPJBGUJM-UHFFFAOYSA-N 0 0 488.539 4.655 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Oc2ccc(Oc3nccs3)cc2)cc1 ZINC001457039042 1066750515 /nfs/dbraw/zinc/75/05/15/1066750515.db2.gz MVGZHPFAICUXKS-INIZCTEOSA-N 0 0 458.561 4.718 20 0 JJADRN Cc1c(C(=O)N(C)Cc2nccn2Cc2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457041601 1066750675 /nfs/dbraw/zinc/75/06/75/1066750675.db2.gz YTOMCJLPVHWYIU-UHFFFAOYSA-N 0 0 453.468 4.717 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001492647115 1066750844 /nfs/dbraw/zinc/75/08/44/1066750844.db2.gz FMIWPWKXGRMKQB-HSZRJFAPSA-N 0 0 488.101 4.885 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(Br)c(C)c1N ZINC001446873712 1066750913 /nfs/dbraw/zinc/75/09/13/1066750913.db2.gz PLHLPOZIOWZGGW-APPDUMDISA-N 0 0 456.178 4.608 20 0 JJADRN Cc1cc2occ(CC(=O)N3CCn4c(c(Br)nc4C(F)(F)F)C3)c2cc1C ZINC001457048120 1066750972 /nfs/dbraw/zinc/75/09/72/1066750972.db2.gz SSGNIXAMRNIOLR-UHFFFAOYSA-N 0 0 456.262 4.612 20 0 JJADRN CCc1cnccc1[C@@H](C)NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446875161 1066751426 /nfs/dbraw/zinc/75/14/26/1066751426.db2.gz UKHMVZVGMHAOHQ-RTBURBONSA-N 0 0 457.574 4.996 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC001446876852 1066751430 /nfs/dbraw/zinc/75/14/30/1066751430.db2.gz XCUFWJRRRFICEA-RBUKOAKNSA-N 0 0 459.633 4.520 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCO)c1 ZINC001492647387 1066751478 /nfs/dbraw/zinc/75/14/78/1066751478.db2.gz KSDJQZKQJCIEAL-UHFFFAOYSA-N 0 0 477.675 4.562 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001492647258 1066751508 /nfs/dbraw/zinc/75/15/08/1066751508.db2.gz HYBXNPFYURLKQR-FQEVSTJZSA-N 0 0 496.681 4.917 20 0 JJADRN COC(=O)c1cc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc(F)c1Cl ZINC001457055262 1066751615 /nfs/dbraw/zinc/75/16/15/1066751615.db2.gz ODYJZDUPXDJCGF-UHFFFAOYSA-N 0 0 455.294 4.502 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)C1(CC)CC ZINC001457054277 1066751637 /nfs/dbraw/zinc/75/16/37/1066751637.db2.gz RHFKUGCZZPDTEB-MSOLQXFVSA-N 0 0 451.036 4.811 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)c1 ZINC001492647654 1066751896 /nfs/dbraw/zinc/75/18/96/1066751896.db2.gz SDJNXNMPAMPXDI-KRWDZBQOSA-N 0 0 466.529 4.930 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)c1 ZINC001492647588 1066751950 /nfs/dbraw/zinc/75/19/50/1066751950.db2.gz QEBLRTBRMZRHNJ-QGZVFWFLSA-N 0 0 485.601 4.638 20 0 JJADRN CN1CCN(C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c2cc(F)ccc21 ZINC001457056006 1066752079 /nfs/dbraw/zinc/75/20/79/1066752079.db2.gz WTHCWBSDOBTNBF-UHFFFAOYSA-N 0 0 453.558 4.876 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)F)nc21 ZINC001457057928 1066752105 /nfs/dbraw/zinc/75/21/05/1066752105.db2.gz PKBQEWMMEWBFMY-GMSGAONNSA-N 0 0 472.315 4.527 20 0 JJADRN O=C(c1cccc(Sc2cccc(Br)c2)n1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001457055508 1066752232 /nfs/dbraw/zinc/75/22/32/1066752232.db2.gz BNYXSIGMCYQQDM-DYESRHJHSA-N 0 0 469.404 4.671 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)c2)c1 ZINC001492647835 1066752353 /nfs/dbraw/zinc/75/23/53/1066752353.db2.gz YBDZRKKJUNLBNP-UHFFFAOYSA-N 0 0 456.566 4.520 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3C)n2CCN(C)CC(F)(F)F)c1 ZINC001492647755 1066752568 /nfs/dbraw/zinc/75/25/68/1066752568.db2.gz VXCQWLZKLXJMJT-UHFFFAOYSA-N 0 0 451.562 4.678 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)c1 ZINC001446880918 1066752802 /nfs/dbraw/zinc/75/28/02/1066752802.db2.gz PUNMSBYDAFABQW-VGSWGCGISA-N 0 0 454.567 4.805 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)c1 ZINC001446880901 1066752815 /nfs/dbraw/zinc/75/28/15/1066752815.db2.gz PUNMSBYDAFABQW-HTAPYJJXSA-N 0 0 454.567 4.805 20 0 JJADRN Cc1csc(CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001492647911 1066752943 /nfs/dbraw/zinc/75/29/43/1066752943.db2.gz AOEOMZQCIGMFFO-UHFFFAOYSA-N 0 0 461.635 4.515 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)c1 ZINC001492647952 1066752964 /nfs/dbraw/zinc/75/29/64/1066752964.db2.gz CGZVOLTVMPTFIQ-IBGZPJMESA-N 0 0 463.648 4.781 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCN(C)CC(F)(F)F)c1 ZINC001492648225 1066753338 /nfs/dbraw/zinc/75/33/38/1066753338.db2.gz NHRQLKVJGBZEHT-UHFFFAOYSA-N 0 0 481.588 4.974 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)cc2)c(C)c1Br ZINC001457064689 1066753639 /nfs/dbraw/zinc/75/36/39/1066753639.db2.gz WVWJVCMTJFKIQE-QYZOEREBSA-N 0 0 489.414 4.522 20 0 JJADRN CCC(CC)(CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1 ZINC001457065483 1066753647 /nfs/dbraw/zinc/75/36/47/1066753647.db2.gz BUQQDTSJGKCQBE-OAQYLSRUSA-N 0 0 457.412 4.814 20 0 JJADRN O=C(CCOc1ccccc1Br)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446884952 1066753772 /nfs/dbraw/zinc/75/37/72/1066753772.db2.gz WHPSKULXJRTTGK-CYBMUJFWSA-N 0 0 458.183 4.920 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)c1 ZINC001492648348 1066754015 /nfs/dbraw/zinc/75/40/15/1066754015.db2.gz RHXIOIRPENVQJZ-LJQANCHMSA-N 0 0 464.657 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCCC[C@H]3Cc3ccc(O)cc3)cc2C1 ZINC001457067518 1066754175 /nfs/dbraw/zinc/75/41/75/1066754175.db2.gz JTFKARKDGYQSFW-QHCPKHFHSA-N 0 0 450.579 4.923 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C)(COC)CC3)c2)cc1 ZINC001446891761 1066754178 /nfs/dbraw/zinc/75/41/78/1066754178.db2.gz FCAVSISGYSUADB-UHFFFAOYSA-N 0 0 458.624 4.719 20 0 JJADRN COCC1(C)CCN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001446894658 1066754297 /nfs/dbraw/zinc/75/42/97/1066754297.db2.gz HXQPQUQVUPEBCF-UHFFFAOYSA-N 0 0 457.621 4.572 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492648790 1066755045 /nfs/dbraw/zinc/75/50/45/1066755045.db2.gz IIXNJLANAVBPSR-LLVKDONJSA-N 0 0 475.338 4.628 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)n1 ZINC001492648568 1066755092 /nfs/dbraw/zinc/75/50/92/1066755092.db2.gz AWSWVFARVGMVTD-LJQANCHMSA-N 0 0 455.628 4.711 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001446906032 1066755426 /nfs/dbraw/zinc/75/54/26/1066755426.db2.gz DJLUZKNLZJFCHG-RBUKOAKNSA-N 0 0 458.624 4.638 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492648937 1066755485 /nfs/dbraw/zinc/75/54/85/1066755485.db2.gz MWTWLGKVJRVHMC-FPOVZHCZSA-N 0 0 455.628 4.709 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001457073158 1066755725 /nfs/dbraw/zinc/75/57/25/1066755725.db2.gz RFCCPNAIYWWBJB-UHFFFAOYSA-N 0 0 453.489 4.776 20 0 JJADRN CCO[C@@H](C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001457073982 1066755750 /nfs/dbraw/zinc/75/57/50/1066755750.db2.gz LICTYHQOZCLVPD-JWQCQUIFSA-N 0 0 451.588 4.636 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)Cc2ccoc2)n1 ZINC001492649207 1066755877 /nfs/dbraw/zinc/75/58/77/1066755877.db2.gz UMYLLDURONPHDL-UHFFFAOYSA-N 0 0 462.348 4.889 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446908361 1066755913 /nfs/dbraw/zinc/75/59/13/1066755913.db2.gz JIAACFIIWJJCJU-GBXCKJPGSA-N 0 0 457.977 4.653 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492649291 1066756333 /nfs/dbraw/zinc/75/63/33/1066756333.db2.gz XJFNYHWSOSUQPH-KRWDZBQOSA-N 0 0 476.444 4.772 20 0 JJADRN CCCc1cnc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1 ZINC001446913833 1066756335 /nfs/dbraw/zinc/75/63/35/1066756335.db2.gz MKDUDMNFOBMGFQ-UHFFFAOYSA-N 0 0 453.948 4.941 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC001446912113 1066756376 /nfs/dbraw/zinc/75/63/76/1066756376.db2.gz HNDPOBQBNZTVQA-CJNGLKHVSA-N 0 0 456.008 4.771 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492649264 1066756472 /nfs/dbraw/zinc/75/64/72/1066756472.db2.gz WLGAOWSPIAQYQD-HOCLYGCPSA-N 0 0 450.033 4.826 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1 ZINC001492649457 1066756533 /nfs/dbraw/zinc/75/65/33/1066756533.db2.gz DENIWPSSCBOUMA-UHFFFAOYSA-N 0 0 468.627 4.642 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 ZINC001492649669 1066757083 /nfs/dbraw/zinc/75/70/83/1066757083.db2.gz LHYXZMVNDKUZDJ-SFHVURJKSA-N 0 0 473.046 4.543 20 0 JJADRN CC(C)(C)n1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1=O ZINC001457079706 1066757217 /nfs/dbraw/zinc/75/72/17/1066757217.db2.gz UHIGXFIRAJMXRC-QFIPXVFZSA-N 0 0 452.938 4.547 20 0 JJADRN COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1OC ZINC001457079795 1066757328 /nfs/dbraw/zinc/75/73/28/1066757328.db2.gz VMSMVMNEDSYGTL-RUZDIDTESA-N 0 0 453.922 4.577 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3Br)nnc2N(C)Cc2c(C)nn(C)c2C)n1 ZINC001492649959 1066757403 /nfs/dbraw/zinc/75/74/03/1066757403.db2.gz VUAWUCJRHINGGQ-UHFFFAOYSA-N 0 0 486.443 4.508 20 0 JJADRN Cc1csc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cccc(Br)c2)n1 ZINC001492650020 1066757454 /nfs/dbraw/zinc/75/74/54/1066757454.db2.gz XRXSAWGTMXBBGQ-UHFFFAOYSA-N 0 0 455.385 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446928457 1066757504 /nfs/dbraw/zinc/75/75/04/1066757504.db2.gz LJQSGKVIAORGQN-MHTWAQMVSA-N 0 0 465.034 4.546 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2cc(C)cc(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457082045 1066757642 /nfs/dbraw/zinc/75/76/42/1066757642.db2.gz YHJQQIDZRVTFKX-RUZDIDTESA-N 0 0 451.588 4.797 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457081806 1066757676 /nfs/dbraw/zinc/75/76/76/1066757676.db2.gz XDDGEZCKKCWDFS-UZUQRXQVSA-N 0 0 457.979 4.725 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1 ZINC001457083104 1066757707 /nfs/dbraw/zinc/75/77/07/1066757707.db2.gz YVURODUOWUJEFN-UHFFFAOYSA-N 0 0 457.695 4.648 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c1)c1ccc2[nH]cnc2c1 ZINC001446945726 1066758005 /nfs/dbraw/zinc/75/80/05/1066758005.db2.gz MCXMGWRUAKIWFM-HXUWFJFHSA-N 0 0 454.408 4.663 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1 ZINC001446950382 1066758014 /nfs/dbraw/zinc/75/80/14/1066758014.db2.gz DIFUEJZIXMTSQP-UHFFFAOYSA-N 0 0 454.621 4.839 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@H](O)C2)CCO1 ZINC001546086884 1066758241 /nfs/dbraw/zinc/75/82/41/1066758241.db2.gz AOTCPDREQRMTAM-GIMINZRKSA-N 0 0 453.414 4.808 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1(c2ccccc2)CC1)OC ZINC001545990896 1066758243 /nfs/dbraw/zinc/75/82/43/1066758243.db2.gz ZRHLBFFDCYGRHV-HSZRJFAPSA-N 0 0 497.684 4.986 20 0 JJADRN Cc1csc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492651014 1066758428 /nfs/dbraw/zinc/75/84/28/1066758428.db2.gz AUFLAQMNEFQIHX-AWEZNQCLSA-N 0 0 455.481 4.588 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1(c2ccccc2)CC1)OC ZINC001545990897 1066758715 /nfs/dbraw/zinc/75/87/15/1066758715.db2.gz ZRHLBFFDCYGRHV-QHCPKHFHSA-N 0 0 497.684 4.986 20 0 JJADRN Cc1csc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492651348 1066758809 /nfs/dbraw/zinc/75/88/09/1066758809.db2.gz NIADIKFEKOKNSO-UHFFFAOYSA-N 0 0 456.563 4.616 20 0 JJADRN Cc1cnc(NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)o1 ZINC001457090740 1066759093 /nfs/dbraw/zinc/75/90/93/1066759093.db2.gz OQYSVPPWNPKIFQ-NRFANRHFSA-N 0 0 451.523 4.637 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)ccc2NC1=O ZINC001457090459 1066759297 /nfs/dbraw/zinc/75/92/97/1066759297.db2.gz JTUMZTYWQGBXFW-JXFKEZNVSA-N 0 0 452.551 4.503 20 0 JJADRN Cc1csc(Cn2c(N3C[C@@H](CC4CC4)[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)n1 ZINC001492651844 1066759336 /nfs/dbraw/zinc/75/93/36/1066759336.db2.gz FLSCOMQOLSSRQW-QZTJIDSGSA-N 0 0 474.675 4.518 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3sc(-c4ccc(OC)cc4)nc3C)ccc2NC1=O ZINC001457092251 1066759800 /nfs/dbraw/zinc/75/98/00/1066759800.db2.gz MNWLKQNHEKCMRM-YJYMSZOUSA-N 0 0 451.548 4.728 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ncc(C)s3)CC2)n1 ZINC001492652382 1066760386 /nfs/dbraw/zinc/76/03/86/1066760386.db2.gz FBFDUGYTKYQGIS-OAHLLOKOSA-N 0 0 459.689 4.527 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(F)cc2OCC(F)F)nnc1-c1ccccc1C ZINC001446975202 1066760346 /nfs/dbraw/zinc/76/03/46/1066760346.db2.gz XTOYTNVEMWGYNQ-UHFFFAOYSA-N 0 0 450.486 4.787 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC001457095921 1066760840 /nfs/dbraw/zinc/76/08/40/1066760840.db2.gz RZBWVVJFWJZMLM-UHFFFAOYSA-N 0 0 451.748 4.538 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C ZINC001492652830 1066760895 /nfs/dbraw/zinc/76/08/95/1066760895.db2.gz NRRQOPGFJICQKZ-UHFFFAOYSA-N 0 0 487.054 4.681 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c3c2CCCC3)cc1 ZINC001446982429 1066761244 /nfs/dbraw/zinc/76/12/44/1066761244.db2.gz CCXPQAUTPOLERE-MOPGFXCFSA-N 0 0 452.599 4.529 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001492653303 1066761340 /nfs/dbraw/zinc/76/13/40/1066761340.db2.gz DHDRVWBOZISOKO-UHFFFAOYSA-N 0 0 458.031 4.511 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001446983194 1066761440 /nfs/dbraw/zinc/76/14/40/1066761440.db2.gz FPFSHTCIABXAMD-CABCVRRESA-N 0 0 450.004 4.862 20 0 JJADRN CC[C@]1(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985489 1066761909 /nfs/dbraw/zinc/76/19/09/1066761909.db2.gz QFEIFXCZMMENAW-UQBPGWFLSA-N 0 0 459.635 4.738 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2NC1=O ZINC001457100147 1066761896 /nfs/dbraw/zinc/76/18/96/1066761896.db2.gz XPBGTWLLCZTBQT-GAJHUEQPSA-N 0 0 457.530 4.564 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001457099582 1066761928 /nfs/dbraw/zinc/76/19/28/1066761928.db2.gz PYFUCLAMLSTJQT-VWLOTQADSA-N 0 0 456.498 4.600 20 0 JJADRN CCc1cc(C(=O)N(CCOC)c2ccc(OC)c(OC)c2)c2c(CC(C)(C)C)noc2n1 ZINC001457099782 1066761954 /nfs/dbraw/zinc/76/19/54/1066761954.db2.gz RQZLEALQWNVZCT-UHFFFAOYSA-N 0 0 455.555 4.684 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001492653823 1066762456 /nfs/dbraw/zinc/76/24/56/1066762456.db2.gz HGXAWWSZWWMMFL-UHFFFAOYSA-N 0 0 451.640 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c2ccccc21 ZINC001457101642 1066762554 /nfs/dbraw/zinc/76/25/54/1066762554.db2.gz JKJSOABCMJTAOD-YJBOKZPZSA-N 0 0 458.505 4.704 20 0 JJADRN Cc1cscc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492653908 1066762876 /nfs/dbraw/zinc/76/28/76/1066762876.db2.gz PQKAJUOIHAMNBA-PZJWPPBQSA-N 0 0 489.686 4.877 20 0 JJADRN Cc1cscc1Cn1c(-c2cnccn2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492654061 1066763334 /nfs/dbraw/zinc/76/33/34/1066763334.db2.gz LECBZODWMOPYRJ-UHFFFAOYSA-N 0 0 497.669 4.627 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001492654131 1066763340 /nfs/dbraw/zinc/76/33/40/1066763340.db2.gz SKPLEIQETSHOLU-UHFFFAOYSA-N 0 0 464.542 4.794 20 0 JJADRN Cc1cscc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(C)C)CC1 ZINC001492654201 1066763394 /nfs/dbraw/zinc/76/33/94/1066763394.db2.gz UBBZMWXKBXXTAF-OAQYLSRUSA-N 0 0 489.686 4.877 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001492654549 1066763791 /nfs/dbraw/zinc/76/37/91/1066763791.db2.gz XYKFBZVVZBGQGY-ZIFCJYIRSA-N 0 0 459.660 4.903 20 0 JJADRN Cc1cscc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492654719 1066764315 /nfs/dbraw/zinc/76/43/15/1066764315.db2.gz ZRXLBMCSYOTZMU-RTBURBONSA-N 0 0 484.670 4.831 20 0 JJADRN Cc1cscc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492654717 1066764325 /nfs/dbraw/zinc/76/43/25/1066764325.db2.gz ZRXLBMCSYOTZMU-OALUTQOASA-N 0 0 484.670 4.831 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1cc2n(n1)CCCO2 ZINC001457111091 1066764342 /nfs/dbraw/zinc/76/43/42/1066764342.db2.gz FIMDUGQSKACXCX-UHFFFAOYSA-N 0 0 458.356 4.511 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)c2ccco2)CCO1 ZINC001546087349 1066764417 /nfs/dbraw/zinc/76/44/17/1066764417.db2.gz KQWGUHWMJCWOIU-GOTSBHOMSA-N 0 0 489.414 4.522 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 ZINC001446998410 1066764618 /nfs/dbraw/zinc/76/46/18/1066764618.db2.gz UZNXEBFOOGQOGD-LJQANCHMSA-N 0 0 452.576 4.908 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccccc3Cl)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492654935 1066764772 /nfs/dbraw/zinc/76/47/72/1066764772.db2.gz HMZILSGTQUWYFD-UHFFFAOYSA-N 0 0 456.019 4.593 20 0 JJADRN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001447010611 1066764987 /nfs/dbraw/zinc/76/49/87/1066764987.db2.gz JANRRXAUJPCTEY-MUIFIZLQSA-N 0 0 450.423 4.695 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001457113939 1066765257 /nfs/dbraw/zinc/76/52/57/1066765257.db2.gz PYTZESGZQUBZLR-HZPDHXFCSA-N 0 0 450.992 4.804 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001457113707 1066765443 /nfs/dbraw/zinc/76/54/43/1066765443.db2.gz OCOWSCOYWQGYPQ-ZIFCJYIRSA-N 0 0 453.608 4.898 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492655181 1066765757 /nfs/dbraw/zinc/76/57/57/1066765757.db2.gz MGJJZYWPZUNHCK-ZIAGYGMSSA-N 0 0 477.476 4.844 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)CC3)cc2)CC1 ZINC001457116637 1066766085 /nfs/dbraw/zinc/76/60/85/1066766085.db2.gz NUFFLEYNJZQUPG-QFIPXVFZSA-N 0 0 454.615 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CCCOc4c(F)cccc43)on2)CC1 ZINC001447014809 1066766070 /nfs/dbraw/zinc/76/60/70/1066766070.db2.gz PEWGKONCDICCJL-SFHVURJKSA-N 0 0 459.518 4.572 20 0 JJADRN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001447014208 1066766135 /nfs/dbraw/zinc/76/61/35/1066766135.db2.gz XPYHSUDXEKFAQD-GIVPXCGWSA-N 0 0 451.007 4.536 20 0 JJADRN Cc1cscc1Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001492655514 1066766749 /nfs/dbraw/zinc/76/67/49/1066766749.db2.gz IXOMUWUPBZTLIB-UHFFFAOYSA-N 0 0 497.665 4.811 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)C(C)C)cc1 ZINC001457123995 1066767006 /nfs/dbraw/zinc/76/70/06/1066767006.db2.gz HSUIBGIXQOOQGQ-MHZLTWQESA-N 0 0 458.558 4.913 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001457121581 1066767017 /nfs/dbraw/zinc/76/70/17/1066767017.db2.gz DTLOZNBBDJNMFA-UHFFFAOYSA-N 0 0 451.283 4.911 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)Nc3cccc(Oc4ccccc4)n3)cc2)nc1C(F)(F)F ZINC001457122972 1066767127 /nfs/dbraw/zinc/76/71/27/1066767127.db2.gz MENDJNFDBFCIAE-UHFFFAOYSA-N 0 0 453.424 4.972 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)[C@H](C)[C@H]1OC ZINC001447023277 1066767196 /nfs/dbraw/zinc/76/71/96/1066767196.db2.gz LHFBYEKRWBVDAB-IWMITWMQSA-N 0 0 455.624 4.844 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492655760 1066767290 /nfs/dbraw/zinc/76/72/90/1066767290.db2.gz MSAMVSCWTJAGFV-QGZVFWFLSA-N 0 0 473.668 4.794 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492655791 1066767440 /nfs/dbraw/zinc/76/74/40/1066767440.db2.gz NYIUTLFVQLJMPM-AVRDEDQJSA-N 0 0 481.666 4.831 20 0 JJADRN Cc1cscc1Cn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C ZINC001492655935 1066767917 /nfs/dbraw/zinc/76/79/17/1066767917.db2.gz RAEUUAILUFXREY-UHFFFAOYSA-N 0 0 473.046 4.897 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 ZINC001447046180 1066768546 /nfs/dbraw/zinc/76/85/46/1066768546.db2.gz FJAIOLKMNUHQEA-FGZHOGPDSA-N 0 0 457.615 4.941 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC001457129370 1066768699 /nfs/dbraw/zinc/76/86/99/1066768699.db2.gz ALQZGABIFKGZST-UHFFFAOYSA-N 0 0 458.299 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC001457130312 1066768710 /nfs/dbraw/zinc/76/87/10/1066768710.db2.gz AIYDYDSTNPFXJB-BUXKBTBVSA-N 0 0 454.390 4.511 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)n1 ZINC001457130210 1066768743 /nfs/dbraw/zinc/76/87/43/1066768743.db2.gz XXTBKYBZTLHBFN-UHFFFAOYSA-N 0 0 455.417 4.682 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)Oc1ccccc1F ZINC001545991933 1066769165 /nfs/dbraw/zinc/76/91/65/1066769165.db2.gz BVZDAILZASUWLD-SFTDATJTSA-N 0 0 495.647 4.759 20 0 JJADRN C[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC001447049156 1066769203 /nfs/dbraw/zinc/76/92/03/1066769203.db2.gz DVWYJJWZMXFBNV-CYBMUJFWSA-N 0 0 459.403 4.614 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(Br)c2)s1 ZINC001492656619 1066769457 /nfs/dbraw/zinc/76/94/57/1066769457.db2.gz KJDIMMSNVOYHGG-SFHVURJKSA-N 0 0 490.471 4.887 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CCC(F)(F)F)s1 ZINC001492656811 1066769481 /nfs/dbraw/zinc/76/94/81/1066769481.db2.gz MQCWJQSMYDASEB-UHFFFAOYSA-N 0 0 459.488 4.852 20 0 JJADRN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1O ZINC001447056385 1066769546 /nfs/dbraw/zinc/76/95/46/1066769546.db2.gz NEZNIHIKGXSAGH-UHFFFAOYSA-N 0 0 454.939 4.985 20 0 JJADRN Cc1cc(C)c(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc1I ZINC001457134314 1066769558 /nfs/dbraw/zinc/76/95/58/1066769558.db2.gz BBUYBMITXNOLHM-QGZVFWFLSA-N 0 0 457.315 4.549 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC001447052123 1066769687 /nfs/dbraw/zinc/76/96/87/1066769687.db2.gz NUDDRUSCQUVXDF-IERDGZPVSA-N 0 0 450.551 4.781 20 0 JJADRN CCC[C@@](C)(NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccccc1 ZINC001457134297 1066769669 /nfs/dbraw/zinc/76/96/69/1066769669.db2.gz XYPVSJIBEYMDRG-AREMUKBSSA-N 0 0 450.604 4.919 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492656970 1066769895 /nfs/dbraw/zinc/76/98/95/1066769895.db2.gz KNECVZGWEHRXLE-GOSISDBHSA-N 0 0 468.671 4.547 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccccc3F)nnc2N(C)Cc2scnc2C)s1 ZINC001492657179 1066770426 /nfs/dbraw/zinc/77/04/26/1066770426.db2.gz OPQUVLPMQFMOHC-UHFFFAOYSA-N 0 0 472.615 4.714 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CCO1 ZINC001546087095 1066770930 /nfs/dbraw/zinc/77/09/30/1066770930.db2.gz GCNVKBRUZPZXDD-QFIPXVFZSA-N 0 0 462.381 4.731 20 0 JJADRN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001457142377 1066771403 /nfs/dbraw/zinc/77/14/03/1066771403.db2.gz ZRKVHQIKMMHJTF-CJNGLKHVSA-N 0 0 459.637 4.734 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492657541 1066771506 /nfs/dbraw/zinc/77/15/06/1066771506.db2.gz XCEDUZNNCPFDLW-AZYRPFHASA-N 0 0 457.669 4.796 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)s1 ZINC001492657707 1066771539 /nfs/dbraw/zinc/77/15/39/1066771539.db2.gz ZWORRQZHGPUDTK-HXUWFJFHSA-N 0 0 488.702 4.945 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545992332 1066771845 /nfs/dbraw/zinc/77/18/45/1066771845.db2.gz HSLGGRSVMVMPGP-CEWLAPEOSA-N 0 0 492.661 4.582 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3cc4cc(Br)cc(C)c4o3)CC2)n1 ZINC001457143883 1066771899 /nfs/dbraw/zinc/77/18/99/1066771899.db2.gz MYBORRVTXWFIEO-UHFFFAOYSA-N 0 0 458.356 4.696 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(Br)c2)s1 ZINC001492657788 1066771975 /nfs/dbraw/zinc/77/19/75/1066771975.db2.gz ALTFKCCUPNDMNA-UHFFFAOYSA-N 0 0 457.401 4.794 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCC(F)F)s1 ZINC001492657804 1066772110 /nfs/dbraw/zinc/77/21/10/1066772110.db2.gz BCOLZPXQMNRQLY-UHFFFAOYSA-N 0 0 484.617 4.606 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)(C)C)CCO1 ZINC001546087201 1066772077 /nfs/dbraw/zinc/77/20/77/1066772077.db2.gz IEZJIBFWMKPPFI-OAQYLSRUSA-N 0 0 469.399 4.667 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(Br)cs2)CCO1 ZINC001546087207 1066772107 /nfs/dbraw/zinc/77/21/07/1066772107.db2.gz IGQQWBWRMDTTAG-OAQYLSRUSA-N 0 0 477.428 4.831 20 0 JJADRN O=C(COc1ccc(I)cc1)Nc1cc(Cc2ccccc2)ccc1O ZINC001447086886 1066772019 /nfs/dbraw/zinc/77/20/19/1066772019.db2.gz XBPBMRFYCGHWPU-UHFFFAOYSA-N 0 0 459.283 4.605 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccn3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492658000 1066772472 /nfs/dbraw/zinc/77/24/72/1066772472.db2.gz IHFWRVOBHMTYBF-UHFFFAOYSA-N 0 0 497.669 4.545 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2)s1 ZINC001492658424 1066772595 /nfs/dbraw/zinc/77/25/95/1066772595.db2.gz CQAVGUYSZVMYEY-SFHVURJKSA-N 0 0 465.627 4.526 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)s1 ZINC001492658444 1066772997 /nfs/dbraw/zinc/77/29/97/1066772997.db2.gz RRVCQTCLNPALOG-HXUWFJFHSA-N 0 0 457.566 4.587 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492658604 1066773026 /nfs/dbraw/zinc/77/30/26/1066773026.db2.gz UHQRRFVRZLTYOB-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001492658478 1066773088 /nfs/dbraw/zinc/77/30/88/1066773088.db2.gz DZNGXSIPTGHJCI-AZUAARDMSA-N 0 0 455.628 4.772 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3cccn3-c3c(Cl)cccc3Cl)CC2)n1 ZINC001457147498 1066773114 /nfs/dbraw/zinc/77/31/14/1066773114.db2.gz IURIOPGRGXAOPT-UHFFFAOYSA-N 0 0 459.377 4.977 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)n1 ZINC001457147076 1066773148 /nfs/dbraw/zinc/77/31/48/1066773148.db2.gz FQLRUGCZTDXLJE-HNNXBMFYSA-N 0 0 452.511 4.892 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)n1 ZINC001457146994 1066773184 /nfs/dbraw/zinc/77/31/84/1066773184.db2.gz FAOIDRIMOMOXKC-MSOLQXFVSA-N 0 0 455.514 4.957 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccc2)s1 ZINC001492658720 1066773674 /nfs/dbraw/zinc/77/36/74/1066773674.db2.gz IJUFVMIVLWENAL-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 ZINC001457151786 1066773596 /nfs/dbraw/zinc/77/35/96/1066773596.db2.gz XCVVOQLUOYZAIO-UHFFFAOYSA-N 0 0 456.340 4.895 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCO[C@H](C)C2)s1 ZINC001492658910 1066774044 /nfs/dbraw/zinc/77/40/44/1066774044.db2.gz LCSIHMKTNJTWEA-GFCCVEGCSA-N 0 0 480.407 4.584 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001492658927 1066774055 /nfs/dbraw/zinc/77/40/55/1066774055.db2.gz LIPIPYZBULUJSA-CYBMUJFWSA-N 0 0 476.444 4.833 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nc(C)cs2)CCO1 ZINC001546087631 1066774269 /nfs/dbraw/zinc/77/42/69/1066774269.db2.gz PTGAUOKHOYBALP-HXUWFJFHSA-N 0 0 480.407 4.665 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)s1 ZINC001447108119 1066774451 /nfs/dbraw/zinc/77/44/51/1066774451.db2.gz JCVDHRPQHMLALO-WFASDCNBSA-N 0 0 456.349 4.823 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cc1 ZINC001447111983 1066775145 /nfs/dbraw/zinc/77/51/45/1066775145.db2.gz SCDFNJRYYGIEBX-DNQXCXABSA-N 0 0 456.652 4.847 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546087744 1066775229 /nfs/dbraw/zinc/77/52/29/1066775229.db2.gz SCNNLNMVLJYGKF-LOSJGSFVSA-N 0 0 477.049 4.944 20 0 JJADRN Cc1nc(C)c(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)s1 ZINC001492659441 1066775843 /nfs/dbraw/zinc/77/58/43/1066775843.db2.gz BLZGKCQJTOIMRO-RUZDIDTESA-N 0 0 469.655 4.663 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1cnc(NC2CC2)s1 ZINC001447112641 1066775705 /nfs/dbraw/zinc/77/57/05/1066775705.db2.gz XVIZKXKLNXDGOC-UHFFFAOYSA-N 0 0 451.173 4.596 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)nc1 ZINC001447116874 1066776081 /nfs/dbraw/zinc/77/60/81/1066776081.db2.gz XLAGDBHRUINIPR-GOSISDBHSA-N 0 0 450.320 4.841 20 0 JJADRN O=C(COc1ccc(F)cc1Cl)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447115842 1066776131 /nfs/dbraw/zinc/77/61/31/1066776131.db2.gz WNCWOEBJHHZEFM-INIZCTEOSA-N 0 0 459.686 4.826 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccsc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)s1 ZINC001492659606 1066776294 /nfs/dbraw/zinc/77/62/94/1066776294.db2.gz GTXJVTHSTOLEMX-HXUWFJFHSA-N 0 0 485.601 4.582 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)s1 ZINC001492659471 1066776479 /nfs/dbraw/zinc/77/64/79/1066776479.db2.gz BZFOKOGTYVQHDH-OAHLLOKOSA-N 0 0 452.049 4.891 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001492659790 1066776781 /nfs/dbraw/zinc/77/67/81/1066776781.db2.gz KCJRQHGNFVKMIE-GOSISDBHSA-N 0 0 496.681 4.745 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CC[C@@H](SC)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457163518 1066777010 /nfs/dbraw/zinc/77/70/10/1066777010.db2.gz LAYJOJIDDWPDCQ-UTADQONYSA-N 0 0 452.620 4.888 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC001447133151 1066777399 /nfs/dbraw/zinc/77/73/99/1066777399.db2.gz OTMOTGAMHPROTQ-SFHVURJKSA-N 0 0 451.405 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C1CC1 ZINC001447139788 1066777912 /nfs/dbraw/zinc/77/79/12/1066777912.db2.gz ZBBAFHZUIIGLEQ-FQEVSTJZSA-N 0 0 457.958 4.625 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492660600 1066778029 /nfs/dbraw/zinc/77/80/29/1066778029.db2.gz QUTLOZOXMGMERA-HUUCEWRRSA-N 0 0 464.060 4.962 20 0 JJADRN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001545992953 1066778089 /nfs/dbraw/zinc/77/80/89/1066778089.db2.gz PTVDDNXWXYBDGL-IEBWSBKVSA-N 0 0 497.562 4.779 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001545992952 1066778188 /nfs/dbraw/zinc/77/81/88/1066778188.db2.gz PTVDDNXWXYBDGL-HKUYNNGSSA-N 0 0 497.562 4.779 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOCc2ccccc2)s1 ZINC001492660572 1066778217 /nfs/dbraw/zinc/77/82/17/1066778217.db2.gz QKBWVDQTYOXNBO-FYYLOGMGSA-N 0 0 483.682 4.971 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 ZINC001457168453 1066778467 /nfs/dbraw/zinc/77/84/67/1066778467.db2.gz KNNCDRWWJHWEDH-HNNXBMFYSA-N 0 0 452.511 4.512 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC001457169374 1066778549 /nfs/dbraw/zinc/77/85/49/1066778549.db2.gz LFZVNMVVGSUAIP-UHFFFAOYSA-N 0 0 450.907 4.749 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492660702 1066778694 /nfs/dbraw/zinc/77/86/94/1066778694.db2.gz ZSIXLVHCHIBERH-SFHVURJKSA-N 0 0 476.691 4.824 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCCCn2ccnc2C)cs1 ZINC001492661045 1066779254 /nfs/dbraw/zinc/77/92/54/1066779254.db2.gz CBVAZMHENQRUBW-KRWDZBQOSA-N 0 0 465.627 4.522 20 0 JJADRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1ccc(F)c(Br)c1 ZINC001457169579 1066779276 /nfs/dbraw/zinc/77/92/76/1066779276.db2.gz XWVXWWGWHZQBRE-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN COCCOC1CCC(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)CC1 ZINC001457170758 1066779676 /nfs/dbraw/zinc/77/96/76/1066779676.db2.gz VCNPQYUOAJMGGX-UHFFFAOYSA-N 0 0 452.433 4.989 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC001457171197 1066779689 /nfs/dbraw/zinc/77/96/89/1066779689.db2.gz XKRDRYOHDWQQOP-UHFFFAOYSA-N 0 0 453.568 4.536 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1F ZINC001457171077 1066779748 /nfs/dbraw/zinc/77/97/48/1066779748.db2.gz QJNIOBWBOKTZJV-UHFFFAOYSA-N 0 0 452.320 4.872 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1F ZINC001457171139 1066779773 /nfs/dbraw/zinc/77/97/73/1066779773.db2.gz KJYIKSCWSODFLL-OAHLLOKOSA-N 0 0 454.523 4.796 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@]2(O)CCCC2(C)C)cs1 ZINC001492661087 1066779843 /nfs/dbraw/zinc/77/98/43/1066779843.db2.gz CRMAEYNJOYFNJB-HFJWLAOPSA-N 0 0 483.682 4.738 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C)c(Br)c4)n3CCCC(C)C)CCO2)no1 ZINC001492661352 1066780218 /nfs/dbraw/zinc/78/02/18/1066780218.db2.gz AEBQLHONBCIYBC-IBGZPJMESA-N 0 0 489.418 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H]2CCO[C@H]2C(C)C)cs1 ZINC001492661215 1066780280 /nfs/dbraw/zinc/78/02/80/1066780280.db2.gz GEKJHFKNTTZGHQ-HFXUHXBXSA-N 0 0 455.628 4.598 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1C(F)F ZINC001447170101 1066780450 /nfs/dbraw/zinc/78/04/50/1066780450.db2.gz OTWRXJTYXUVKGV-PXAZEXFGSA-N 0 0 459.324 4.942 20 0 JJADRN O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001546088328 1066780653 /nfs/dbraw/zinc/78/06/53/1066780653.db2.gz KSDFTZGEMBBIEN-UHFFFAOYSA-N 0 0 455.277 4.626 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492661667 1066780693 /nfs/dbraw/zinc/78/06/93/1066780693.db2.gz KULGMDLRILHAKQ-HOCLYGCPSA-N 0 0 466.611 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC001447186934 1066780764 /nfs/dbraw/zinc/78/07/64/1066780764.db2.gz ZSBHJGSXHHGHJM-HSZRJFAPSA-N 0 0 455.574 4.516 20 0 JJADRN COc1ccccc1-c1[nH]nc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1C ZINC001457180776 1066781145 /nfs/dbraw/zinc/78/11/45/1066781145.db2.gz RWQRVCZWRCCIBI-UHFFFAOYSA-N 0 0 452.312 4.594 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC2(O)CCCCC2)cs1 ZINC001492661804 1066781221 /nfs/dbraw/zinc/78/12/21/1066781221.db2.gz MZIGGIKZGNTYDG-HNNXBMFYSA-N 0 0 461.582 4.805 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492661977 1066781252 /nfs/dbraw/zinc/78/12/52/1066781252.db2.gz ODXRHUKPAHBBDP-BKNPHHRASA-N 0 0 475.659 4.707 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CC2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492661762 1066781265 /nfs/dbraw/zinc/78/12/65/1066781265.db2.gz LZWUOSIGUAQYHC-OAHLLOKOSA-N 0 0 488.683 4.760 20 0 JJADRN COc1cc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)ccc1Br ZINC001457178925 1066781404 /nfs/dbraw/zinc/78/14/04/1066781404.db2.gz NBQSYUCVZLHLRY-UHFFFAOYSA-N 0 0 451.276 4.511 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001447191371 1066781385 /nfs/dbraw/zinc/78/13/85/1066781385.db2.gz ALCRGCRISOQBBE-FQEVSTJZSA-N 0 0 454.998 4.926 20 0 JJADRN C[C@@H](OC(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(Cl)ccc2n1C ZINC001457182431 1066781818 /nfs/dbraw/zinc/78/18/18/1066781818.db2.gz CWYYQSITOWBMJY-OAHLLOKOSA-N 0 0 457.983 4.859 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2Cc2ncccc2C)cs1 ZINC001492662522 1066782267 /nfs/dbraw/zinc/78/22/67/1066782267.db2.gz VLHUUQMILKMTOR-GOSISDBHSA-N 0 0 462.623 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001492662489 1066782340 /nfs/dbraw/zinc/78/23/40/1066782340.db2.gz VCZBQJNGRXORRJ-AWEZNQCLSA-N 0 0 496.584 4.584 20 0 JJADRN O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001457189308 1066782743 /nfs/dbraw/zinc/78/27/43/1066782743.db2.gz JIUWKRKGJJKTTB-SFHVURJKSA-N 0 0 456.342 4.771 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545993564 1066782923 /nfs/dbraw/zinc/78/29/23/1066782923.db2.gz YSUNNKSPBVUEGZ-IRXDYDNUSA-N 0 0 464.680 4.866 20 0 JJADRN Cc1c(C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)nnn1CCOc1ccc(F)cc1 ZINC001457188101 1066782883 /nfs/dbraw/zinc/78/28/83/1066782883.db2.gz GAKKIHLRUVWDIU-GOSISDBHSA-N 0 0 457.811 4.918 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC001447226304 1066783305 /nfs/dbraw/zinc/78/33/05/1066783305.db2.gz HEYAQCAFPTYLJR-HXUWFJFHSA-N 0 0 452.576 4.892 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCCC(F)(F)F)CCO2)no1 ZINC001492663147 1066783491 /nfs/dbraw/zinc/78/34/91/1066783491.db2.gz RUNTZDALHSLFFL-APWZRJJASA-N 0 0 494.518 4.647 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001457192411 1066783807 /nfs/dbraw/zinc/78/38/07/1066783807.db2.gz KOSXMFIGHAOFQG-BETUJISGSA-N 0 0 452.338 4.966 20 0 JJADRN CCN(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1ccccc1S(=O)(=O)CC ZINC001457192808 1066783834 /nfs/dbraw/zinc/78/38/34/1066783834.db2.gz QKKHSAGWBMTDNS-UHFFFAOYSA-N 0 0 450.988 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCOc2ncccc2Cl)cs1 ZINC001492663655 1066783964 /nfs/dbraw/zinc/78/39/64/1066783964.db2.gz GEGWRHDLFYCYQQ-YJBOKZPZSA-N 0 0 461.035 4.776 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492664028 1066784110 /nfs/dbraw/zinc/78/41/10/1066784110.db2.gz BYMYHJOPXBBEOS-INIZCTEOSA-N 0 0 481.695 4.801 20 0 JJADRN O=C(CCSc1nc2ccccc2s1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447246205 1066784511 /nfs/dbraw/zinc/78/45/11/1066784511.db2.gz BYZCUDVWTJJNRV-KRWDZBQOSA-N 0 0 450.532 4.980 20 0 JJADRN COc1cccc(OC)c1CC(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001457195463 1066784889 /nfs/dbraw/zinc/78/48/89/1066784889.db2.gz VANSBTXTHVYWPA-KRWDZBQOSA-N 0 0 451.210 4.995 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H]2CCCCS2)cs1 ZINC001492664517 1066784896 /nfs/dbraw/zinc/78/48/96/1066784896.db2.gz MCXVODUGFVGXLO-IBGZPJMESA-N 0 0 491.086 4.648 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492664613 1066784919 /nfs/dbraw/zinc/78/49/19/1066784919.db2.gz MWIUJYNRGNLFJW-WMZOPIPTSA-N 0 0 481.592 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492664506 1066784982 /nfs/dbraw/zinc/78/49/82/1066784982.db2.gz LWETUCJHBCVXJA-LLVKDONJSA-N 0 0 499.613 4.854 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCc2ccsc2)cs1 ZINC001492664456 1066785077 /nfs/dbraw/zinc/78/50/77/1066785077.db2.gz KBENWTQPBYOMNB-UHFFFAOYSA-N 0 0 487.054 4.666 20 0 JJADRN Cc1nnc(SCC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)n1Cc1ccccc1 ZINC001447253380 1066785323 /nfs/dbraw/zinc/78/53/23/1066785323.db2.gz GJYJQCLTPKSDBC-UHFFFAOYSA-N 0 0 452.580 4.629 20 0 JJADRN CSCC[C@@H](C(=O)Nc1cccc(COC(C)(C)C)c1C)N1C(=O)c2ccccc2C1=O ZINC001457196729 1066785544 /nfs/dbraw/zinc/78/55/44/1066785544.db2.gz FOFSJURETILXEF-NRFANRHFSA-N 0 0 454.592 4.667 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC001457196197 1066785565 /nfs/dbraw/zinc/78/55/65/1066785565.db2.gz NSNITNLQWHWBPS-OAHLLOKOSA-N 0 0 457.384 4.674 20 0 JJADRN O=C(N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)C1(c2ccccc2Br)CC1 ZINC001447255370 1066785684 /nfs/dbraw/zinc/78/56/84/1066785684.db2.gz SRGGTXCFWQIBGD-SFHVURJKSA-N 0 0 452.295 4.682 20 0 JJADRN CSCC[C@H](C(=O)Nc1cccc(COC(C)(C)C)c1C)N1C(=O)c2ccccc2C1=O ZINC001457196738 1066785675 /nfs/dbraw/zinc/78/56/75/1066785675.db2.gz FOFSJURETILXEF-OAQYLSRUSA-N 0 0 454.592 4.667 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)CC1 ZINC001457199486 1066786628 /nfs/dbraw/zinc/78/66/28/1066786628.db2.gz SOPBDLWOEHIRJE-MRXNPFEDSA-N 0 0 457.537 4.922 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3ccc(-c4ccc(F)cc4)o3)CCCC2)cc1OC ZINC001457199536 1066786833 /nfs/dbraw/zinc/78/68/33/1066786833.db2.gz RAPZOVYTAPIWKY-UHFFFAOYSA-N 0 0 452.482 4.784 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 ZINC001447274410 1066786909 /nfs/dbraw/zinc/78/69/09/1066786909.db2.gz CFPZFASJEOEXEZ-OAHLLOKOSA-N 0 0 450.348 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC001457201434 1066787407 /nfs/dbraw/zinc/78/74/07/1066787407.db2.gz PALIPHCTMQIHGD-DEOSSOPVSA-N 0 0 459.612 4.517 20 0 JJADRN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(CCO)Cc4cc(Br)ccc4F)cc3c2C1 ZINC001447279690 1066787489 /nfs/dbraw/zinc/78/74/89/1066787489.db2.gz XZYIUDMXXYIBOR-CQSZACIVSA-N 0 0 459.359 4.829 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@H](C)Cc2cccs2)cs1 ZINC001492665778 1066787689 /nfs/dbraw/zinc/78/76/89/1066787689.db2.gz AAFDRJNOHBHGGL-CQSZACIVSA-N 0 0 458.682 4.975 20 0 JJADRN Cc1csc(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1I ZINC001457202294 1066787693 /nfs/dbraw/zinc/78/76/93/1066787693.db2.gz SAWFNQNNXXKVMS-HNNXBMFYSA-N 0 0 454.377 4.629 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC001457201960 1066787782 /nfs/dbraw/zinc/78/77/82/1066787782.db2.gz QLNICQSSXSZTPX-XMMPIXPASA-N 0 0 455.558 4.672 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001447290588 1066787972 /nfs/dbraw/zinc/78/79/72/1066787972.db2.gz FNMJAYKTZGLMTG-UHFFFAOYSA-N 0 0 456.571 4.592 20 0 JJADRN CC(C)c1nnc([C@H](C)NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)[nH]1 ZINC001447284273 1066788061 /nfs/dbraw/zinc/78/80/61/1066788061.db2.gz GQANKXBRHPROQU-KRWDZBQOSA-N 0 0 457.644 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492665862 1066788319 /nfs/dbraw/zinc/78/83/19/1066788319.db2.gz WMQGSOAXXJCOPM-INIZCTEOSA-N 0 0 490.699 4.835 20 0 JJADRN Cc1cc(SCC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c(C)cc1Br ZINC001457205435 1066789280 /nfs/dbraw/zinc/78/92/80/1066789280.db2.gz VFRQHOKEZRVCKU-GOSISDBHSA-N 0 0 456.446 4.735 20 0 JJADRN CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC001447301016 1066789435 /nfs/dbraw/zinc/78/94/35/1066789435.db2.gz HZXQHAPADPYHCA-UHFFFAOYSA-N 0 0 454.548 4.597 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@H]2CCCS2)cs1 ZINC001492666141 1066789811 /nfs/dbraw/zinc/78/98/11/1066789811.db2.gz IKZWWTNEBRALKG-MRXNPFEDSA-N 0 0 452.024 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCCOC2CCCCC2)cs1 ZINC001492666116 1066790047 /nfs/dbraw/zinc/79/00/47/1066790047.db2.gz HRSLPSNJVZPBGP-UHFFFAOYSA-N 0 0 460.673 4.775 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)cs1 ZINC001492666138 1066790058 /nfs/dbraw/zinc/79/00/58/1066790058.db2.gz IKKHPIXPSAJYDC-VGOFRKELSA-N 0 0 475.062 4.770 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCSCc2ccccc2)cs1 ZINC001492666213 1066790322 /nfs/dbraw/zinc/79/03/22/1066790322.db2.gz LIACXBWGPRADDL-UHFFFAOYSA-N 0 0 481.695 4.554 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[C@H]1CNC(=O)OC(C)(C)C ZINC001457209168 1066790818 /nfs/dbraw/zinc/79/08/18/1066790818.db2.gz RZZKSCWIWIOIOL-DDBAPUKQSA-N 0 0 456.505 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2nccc(C(F)F)n2)cs1 ZINC001492666296 1066790897 /nfs/dbraw/zinc/79/08/97/1066790897.db2.gz OQQDGZFQTWISOP-UHFFFAOYSA-N 0 0 493.946 4.839 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCOc2c(C)cccc2C)cs1 ZINC001492666317 1066791025 /nfs/dbraw/zinc/79/10/25/1066791025.db2.gz PNZLMAXFPLXJSU-UHFFFAOYSA-N 0 0 466.611 4.571 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)Oc1ccccc1F ZINC001545994494 1066791592 /nfs/dbraw/zinc/79/15/92/1066791592.db2.gz ALMIWXPMTQGPTC-CTNGQTDRSA-N 0 0 468.621 4.666 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)CCO2)cc1OC ZINC001457212166 1066791652 /nfs/dbraw/zinc/79/16/52/1066791652.db2.gz HYFSCMKEUYCDES-PLMLNFJUSA-N 0 0 457.395 4.772 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CCCc2cnn(C)c2)cs1 ZINC001492666474 1066791873 /nfs/dbraw/zinc/79/18/73/1066791873.db2.gz VKGGTLZPEOGLAN-UHFFFAOYSA-N 0 0 489.571 4.655 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)Oc1ccccc1F ZINC001545994497 1066791845 /nfs/dbraw/zinc/79/18/45/1066791845.db2.gz ALMIWXPMTQGPTC-TZIWHRDSSA-N 0 0 468.621 4.666 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492666507 1066792078 /nfs/dbraw/zinc/79/20/78/1066792078.db2.gz WUKCIBGYBVSPPL-UHFFFAOYSA-N 0 0 484.576 4.779 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001492666535 1066792403 /nfs/dbraw/zinc/79/24/03/1066792403.db2.gz XXDAWQLSPOYQDM-LJQANCHMSA-N 0 0 477.581 4.687 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CCC2CCOCC2)cs1 ZINC001492666554 1066792445 /nfs/dbraw/zinc/79/24/45/1066792445.db2.gz YQFYLVOJPMEPBI-UHFFFAOYSA-N 0 0 469.655 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2CCCn2ccnc2C)cs1 ZINC001492666580 1066792516 /nfs/dbraw/zinc/79/25/16/1066792516.db2.gz ZHAOFGNNIWRVFE-UHFFFAOYSA-N 0 0 462.048 4.580 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994546 1066792457 /nfs/dbraw/zinc/79/24/57/1066792457.db2.gz BEMJBUHGSVXUGP-GMAHTHKFSA-N 0 0 484.689 4.885 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994545 1066792588 /nfs/dbraw/zinc/79/25/88/1066792588.db2.gz BEMJBUHGSVXUGP-GGAORHGYSA-N 0 0 484.689 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCC(F)(F)C2)cs1 ZINC001492667183 1066792811 /nfs/dbraw/zinc/79/28/11/1066792811.db2.gz XKVDROMAZLXGNU-MRXNPFEDSA-N 0 0 461.586 4.619 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CCC2CC(OC(C)(C)C)C2)cs1 ZINC001492667026 1066793073 /nfs/dbraw/zinc/79/30/73/1066793073.db2.gz QSFUOCXLNJLAGB-UHFFFAOYSA-N 0 0 460.673 4.711 20 0 JJADRN O=C(CSc1nccc2ccccc21)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001447328517 1066793556 /nfs/dbraw/zinc/79/35/56/1066793556.db2.gz UFBNWCNEZASRHP-UHFFFAOYSA-N 0 0 455.889 4.979 20 0 JJADRN CC[C@@H]1CN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447330130 1066793945 /nfs/dbraw/zinc/79/39/45/1066793945.db2.gz HPPOOCJCCIBWPT-DKSSEZFCSA-N 0 0 454.489 4.545 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001457224918 1066793921 /nfs/dbraw/zinc/79/39/21/1066793921.db2.gz QKRVCNNACRWOIA-FIIODCPWSA-N 0 0 459.587 4.853 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CCO1 ZINC001546088859 1066793937 /nfs/dbraw/zinc/79/39/37/1066793937.db2.gz CKTWFELANZGMIU-AREMUKBSSA-N 0 0 478.597 4.741 20 0 JJADRN CCc1c(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)cnn1-c1ccccc1OC ZINC001457224994 1066793966 /nfs/dbraw/zinc/79/39/66/1066793966.db2.gz RREBHCCDVXSCOM-UHFFFAOYSA-N 0 0 450.539 4.720 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)Cc2c(F)ccc(Br)c2F)cc1 ZINC001457223643 1066794118 /nfs/dbraw/zinc/79/41/18/1066794118.db2.gz OVXAOCMPRCCKLT-UHFFFAOYSA-N 0 0 455.299 4.933 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001457224242 1066794128 /nfs/dbraw/zinc/79/41/28/1066794128.db2.gz LSBACESFXQLSTB-UHFFFAOYSA-N 0 0 455.388 4.738 20 0 JJADRN Cc1cc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n(Cc2ccccn2)n1 ZINC001457226413 1066794374 /nfs/dbraw/zinc/79/43/74/1066794374.db2.gz YDBQWJXJVVEBLJ-UHFFFAOYSA-N 0 0 458.305 4.761 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCC3)n2Cc2cc(Br)cs2)cs1 ZINC001492667787 1066794572 /nfs/dbraw/zinc/79/45/72/1066794572.db2.gz PABXUDPMEQDVMD-UHFFFAOYSA-N 0 0 452.447 4.742 20 0 JJADRN CN1Cc2ccccc2[C@@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331994 1066794627 /nfs/dbraw/zinc/79/46/27/1066794627.db2.gz XMAIIHLOEXFPOZ-QFIPXVFZSA-N 0 0 451.364 4.945 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)Oc1cccc(F)c1 ZINC001545994712 1066794662 /nfs/dbraw/zinc/79/46/62/1066794662.db2.gz DWTASPSVKIAVKT-JOCHJYFZSA-N 0 0 489.636 4.778 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001457227956 1066794947 /nfs/dbraw/zinc/79/49/47/1066794947.db2.gz KWHOGRODQJNXFV-RUZDIDTESA-N 0 0 456.667 4.747 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)cc1 ZINC001457229838 1066794979 /nfs/dbraw/zinc/79/49/79/1066794979.db2.gz JBQIXOQUQOZRPW-HXUWFJFHSA-N 0 0 455.558 4.797 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447333887 1066795015 /nfs/dbraw/zinc/79/50/15/1066795015.db2.gz RRXWRVVAVDDGDT-PGRDOPGGSA-N 0 0 451.567 4.704 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447333886 1066795052 /nfs/dbraw/zinc/79/50/52/1066795052.db2.gz RRXWRVVAVDDGDT-GCJKJVERSA-N 0 0 451.567 4.704 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447334183 1066795070 /nfs/dbraw/zinc/79/50/70/1066795070.db2.gz RRXWRVVAVDDGDT-XMSQKQJNSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC3)n2Cc2ccccc2NC(=O)OC(C)(C)C)cs1 ZINC001492668002 1066795301 /nfs/dbraw/zinc/79/53/01/1066795301.db2.gz VSEYOZOOXBJTHL-UHFFFAOYSA-N 0 0 468.627 4.875 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C1(F)F ZINC001447335607 1066795390 /nfs/dbraw/zinc/79/53/90/1066795390.db2.gz QXVPLMLFRMDNTC-NZSAHSFTSA-N 0 0 465.928 4.541 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492667977 1066795350 /nfs/dbraw/zinc/79/53/50/1066795350.db2.gz UWUYMAYLKHEYNW-QFIPXVFZSA-N 0 0 483.682 4.860 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H](c2cccnc2)C(C)C)cs1 ZINC001492668172 1066795393 /nfs/dbraw/zinc/79/53/93/1066795393.db2.gz AOALLELLXGTMRH-SFHVURJKSA-N 0 0 452.550 4.857 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c1 ZINC001457231832 1066795512 /nfs/dbraw/zinc/79/55/12/1066795512.db2.gz OISPKCAVRGRGHK-HXUWFJFHSA-N 0 0 455.558 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCC3(c4ccccc4Cl)CC3)cn2)C1 ZINC001447334493 1066795530 /nfs/dbraw/zinc/79/55/30/1066795530.db2.gz OPJODBKJNXXQAY-SFHVURJKSA-N 0 0 458.990 4.570 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CC3)n2Cc2sccc2Br)cs1 ZINC001492668422 1066796321 /nfs/dbraw/zinc/79/63/21/1066796321.db2.gz KGVVWZNFZAAVRO-UHFFFAOYSA-N 0 0 452.447 4.742 20 0 JJADRN CCS(=O)(=O)Nc1cccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1 ZINC001447339716 1066796460 /nfs/dbraw/zinc/79/64/60/1066796460.db2.gz ODLLRCSOZJSBDA-UHFFFAOYSA-N 0 0 455.407 4.997 20 0 JJADRN O=C(c1cccc(NCc2cncs2)c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001447348113 1066796894 /nfs/dbraw/zinc/79/68/94/1066796894.db2.gz ODKYWHLNKSYNBE-UHFFFAOYSA-N 0 0 451.592 4.846 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492668735 1066796914 /nfs/dbraw/zinc/79/69/14/1066796914.db2.gz WCZUBXPUUVJNQA-UHFFFAOYSA-N 0 0 475.487 4.715 20 0 JJADRN COCc1ccc([C@@H]2CCCN2C(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)o1 ZINC001447358054 1066797541 /nfs/dbraw/zinc/79/75/41/1066797541.db2.gz CYBHMUPCVATBEN-QHCPKHFHSA-N 0 0 453.583 4.745 20 0 JJADRN CCOCn1nc(C)c(CC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C ZINC001447351312 1066797578 /nfs/dbraw/zinc/79/75/78/1066797578.db2.gz YQOQKDRVFVCAQT-UHFFFAOYSA-N 0 0 458.921 4.720 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CCc2c[nH]c3cc(F)ccc23)cs1 ZINC001492669280 1066797723 /nfs/dbraw/zinc/79/77/23/1066797723.db2.gz OQBNXZCUNQNLTR-UHFFFAOYSA-N 0 0 470.618 4.748 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)cs1 ZINC001492669261 1066797777 /nfs/dbraw/zinc/79/77/77/1066797777.db2.gz NWEFOUHTYRZPSA-RUZDIDTESA-N 0 0 487.645 4.619 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2Cc2cccs2)cs1 ZINC001492669399 1066797843 /nfs/dbraw/zinc/79/78/43/1066797843.db2.gz TYXLUJNCQPEXLL-UHFFFAOYSA-N 0 0 460.028 4.912 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3F)n2Cc2cc(C(C)(C)C)no2)cs1 ZINC001492669255 1066797876 /nfs/dbraw/zinc/79/78/76/1066797876.db2.gz NLEJKOUQTXFOQD-UHFFFAOYSA-N 0 0 484.601 4.622 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H](C)c4cccc(O)c43)ccc2C)cc1 ZINC001447360290 1066797932 /nfs/dbraw/zinc/79/79/32/1066797932.db2.gz NHUUBTRAHKCMTP-KRWDZBQOSA-N 0 0 450.560 4.964 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCCc2cnn(C)c2)cs1 ZINC001492669572 1066798195 /nfs/dbraw/zinc/79/81/95/1066798195.db2.gz BPWCXDXZQHIQDM-UHFFFAOYSA-N 0 0 467.618 4.554 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1cc(Br)ccc1OC(F)F ZINC001457256112 1066798180 /nfs/dbraw/zinc/79/81/80/1066798180.db2.gz YCGRYAZNCMSVCP-AREMUKBSSA-N 0 0 458.202 4.930 20 0 JJADRN CON(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC001457253616 1066798205 /nfs/dbraw/zinc/79/82/05/1066798205.db2.gz YNVQDRQCJWSBJB-UHFFFAOYSA-N 0 0 456.326 4.709 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc2cc(Br)ccc2o1 ZINC001457252263 1066798228 /nfs/dbraw/zinc/79/82/28/1066798228.db2.gz BESJKXGKBOYBHE-UHFFFAOYSA-N 0 0 451.361 4.914 20 0 JJADRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001457263186 1066798857 /nfs/dbraw/zinc/79/88/57/1066798857.db2.gz AAPHSKLBDJUZIC-UHFFFAOYSA-N 0 0 451.328 4.727 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001457264906 1066799080 /nfs/dbraw/zinc/79/90/80/1066799080.db2.gz IAKAYORHBBTFOC-LEWJYISDSA-N 0 0 458.558 4.816 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492669905 1066799186 /nfs/dbraw/zinc/79/91/86/1066799186.db2.gz KXLWNGNPAIWQAZ-JXFKEZNVSA-N 0 0 490.674 4.590 20 0 JJADRN O=C(NCc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1)c1cccs1 ZINC001447364291 1066799217 /nfs/dbraw/zinc/79/92/17/1066799217.db2.gz VVXSOPNIVFPHNJ-DEOSSOPVSA-N 0 0 456.567 4.809 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC001457265743 1066799583 /nfs/dbraw/zinc/79/95/83/1066799583.db2.gz JSLPFEBKRFFNSM-UHFFFAOYSA-N 0 0 453.930 4.591 20 0 JJADRN COc1cc(C=O)ccc1OCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC001447365573 1066799694 /nfs/dbraw/zinc/79/96/94/1066799694.db2.gz CKCZKOUECKTWSB-UHFFFAOYSA-N 0 0 452.894 4.739 20 0 JJADRN O=C(NCCc1cn(Cc2ccc(Cl)cc2)cn1)c1cnc(Cc2ccccc2F)s1 ZINC001457268060 1066800221 /nfs/dbraw/zinc/80/02/21/1066800221.db2.gz MIJXXCFHPQRGPS-UHFFFAOYSA-N 0 0 454.958 4.744 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001447369050 1066800196 /nfs/dbraw/zinc/80/01/96/1066800196.db2.gz WGFHNBOEMPFDIZ-KRWDZBQOSA-N 0 0 455.462 4.585 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2sccc2Br)cs1 ZINC001492670825 1066800740 /nfs/dbraw/zinc/80/07/40/1066800740.db2.gz LCGAQBHMTMCZPB-LBPRGKRZSA-N 0 0 482.473 4.510 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)nn1-c1ccc(Cl)cc1Cl ZINC001457269570 1066800768 /nfs/dbraw/zinc/80/07/68/1066800768.db2.gz ZAVSQOOWEMVXQX-UHFFFAOYSA-N 0 0 455.349 4.996 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC001447369893 1066800841 /nfs/dbraw/zinc/80/08/41/1066800841.db2.gz ZACPMBASFSHAGH-OAQYLSRUSA-N 0 0 450.391 4.604 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@](C)(O)c1ccccc1Cl ZINC001447369888 1066800850 /nfs/dbraw/zinc/80/08/50/1066800850.db2.gz ZACPMBASFSHAGH-NRFANRHFSA-N 0 0 450.391 4.604 20 0 JJADRN O=C(NCCc1cn(Cc2ccc(Cl)cc2)cn1)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001457269532 1066800886 /nfs/dbraw/zinc/80/08/86/1066800886.db2.gz UFCHAXAYVSQSBS-UHFFFAOYSA-N 0 0 458.949 4.810 20 0 JJADRN Cc1ccc(N(CCC(=O)Nc2cc(O)c(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001447375451 1066801250 /nfs/dbraw/zinc/80/12/50/1066801250.db2.gz HKGYKNAKHQFSDD-UHFFFAOYSA-N 0 0 452.576 4.850 20 0 JJADRN COc1cccc(C(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c2cccc(OC)c2)c1 ZINC001457272475 1066801316 /nfs/dbraw/zinc/80/13/16/1066801316.db2.gz YJSALDNXUYVRKM-UHFFFAOYSA-N 0 0 458.489 4.513 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCSCC(C)C)cs1 ZINC001492671412 1066802108 /nfs/dbraw/zinc/80/21/08/1066802108.db2.gz WPXZJIAUHHXREU-WMLDXEAASA-N 0 0 477.622 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)c4ccc(O)cc4)CC3)n2CCSC(C)C)cs1 ZINC001492671780 1066803063 /nfs/dbraw/zinc/80/30/63/1066803063.db2.gz FGJUJWNXJQLENA-UHFFFAOYSA-N 0 0 485.679 4.580 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC001457281411 1066803138 /nfs/dbraw/zinc/80/31/38/1066803138.db2.gz ALWYKGGDBRMOHN-FNZWTVRRSA-N 0 0 456.586 4.757 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492671749 1066803101 /nfs/dbraw/zinc/80/31/01/1066803101.db2.gz DPNILPPLLZIEOF-UHFFFAOYSA-N 0 0 478.544 4.563 20 0 JJADRN COCCOc1ccccc1COC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001457286139 1066803862 /nfs/dbraw/zinc/80/38/62/1066803862.db2.gz GIKVSRNCSIDYJU-UHFFFAOYSA-N 0 0 454.523 4.976 20 0 JJADRN COCCOc1cccc(COC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001457286483 1066803980 /nfs/dbraw/zinc/80/39/80/1066803980.db2.gz HPCRFNBIBCKFLM-UQNNOOFXSA-N 0 0 457.954 4.503 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC2=CCCCC2)cs1 ZINC001492672171 1066804514 /nfs/dbraw/zinc/80/45/14/1066804514.db2.gz OWFROEXYSDCQPU-UHFFFAOYSA-N 0 0 467.561 4.872 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCCC1 ZINC001447402408 1066804436 /nfs/dbraw/zinc/80/44/36/1066804436.db2.gz OYZWCGDLJNXFRK-UHFFFAOYSA-N 0 0 456.414 4.727 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)ncc1Br ZINC001457291401 1066804487 /nfs/dbraw/zinc/80/44/87/1066804487.db2.gz LEAGBYWWFSRVQQ-UHFFFAOYSA-N 0 0 458.287 4.561 20 0 JJADRN COc1cc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)ccc1OC(C)C ZINC001447403847 1066804559 /nfs/dbraw/zinc/80/45/59/1066804559.db2.gz QWEFYDVLKZWGKR-UHFFFAOYSA-N 0 0 452.580 4.757 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC001447403826 1066804630 /nfs/dbraw/zinc/80/46/30/1066804630.db2.gz DBWUANNMEKAWSQ-UUOWRZLLSA-N 0 0 452.576 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492672735 1066805098 /nfs/dbraw/zinc/80/50/98/1066805098.db2.gz FTDLPEMBEIXAQI-DJABAAGCSA-N 0 0 474.675 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC001447406043 1066805310 /nfs/dbraw/zinc/80/53/10/1066805310.db2.gz VSBNHNAAXQDDCR-MRXNPFEDSA-N 0 0 456.414 4.679 20 0 JJADRN CCC1(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CCCCC1 ZINC001447410000 1066805816 /nfs/dbraw/zinc/80/58/16/1066805816.db2.gz SULJTMAEEGFUMY-DEOSSOPVSA-N 0 0 454.636 4.587 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3Cc4ccc(Br)cc4C3)cc21 ZINC001447414382 1066805824 /nfs/dbraw/zinc/80/58/24/1066805824.db2.gz PEQVXXUURXCSOH-UHFFFAOYSA-N 0 0 450.130 4.858 20 0 JJADRN CCC1(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CCCCC1 ZINC001447410012 1066805931 /nfs/dbraw/zinc/80/59/31/1066805931.db2.gz SULJTMAEEGFUMY-XMMPIXPASA-N 0 0 454.636 4.587 20 0 JJADRN CCCN(CCc1cccs1)C(=O)CCC(=O)c1ccc(I)cc1 ZINC001447414660 1066806434 /nfs/dbraw/zinc/80/64/34/1066806434.db2.gz OKRPACBGRWZFQC-UHFFFAOYSA-N 0 0 455.361 4.797 20 0 JJADRN COc1ccc(COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1SC(F)(F)F ZINC001457297034 1066806452 /nfs/dbraw/zinc/80/64/52/1066806452.db2.gz WEDYALLKXSPHLA-QGZVFWFLSA-N 0 0 453.482 4.707 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492673553 1066806811 /nfs/dbraw/zinc/80/68/11/1066806811.db2.gz WKTOKYYDYYNDMZ-GJZGRUSLSA-N 0 0 464.561 4.773 20 0 JJADRN O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001447424963 1066807398 /nfs/dbraw/zinc/80/73/98/1066807398.db2.gz IRQNGLDWKJYNKP-IBGZPJMESA-N 0 0 458.603 4.855 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)Oc1cccc(F)c1 ZINC001545995620 1066807466 /nfs/dbraw/zinc/80/74/66/1066807466.db2.gz VXRVABBIXOVQKM-DEOSSOPVSA-N 0 0 499.675 4.948 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)CCO2 ZINC001457304416 1066807591 /nfs/dbraw/zinc/80/75/91/1066807591.db2.gz WZJOSOOLXSVLNX-FHLIZLRMSA-N 0 0 450.373 4.563 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]13)CCO2 ZINC001457304419 1066807675 /nfs/dbraw/zinc/80/76/75/1066807675.db2.gz WZJOSOOLXSVLNX-JCGIZDLHSA-N 0 0 450.373 4.563 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492673959 1066807879 /nfs/dbraw/zinc/80/78/79/1066807879.db2.gz GZLAZWDHYAWMCV-IAGOWNOFSA-N 0 0 474.675 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674073 1066808080 /nfs/dbraw/zinc/80/80/80/1066808080.db2.gz JMHKDZCEPALDNF-SCTDSRPQSA-N 0 0 474.675 4.516 20 0 JJADRN CCN(CC(=O)NCCC[C@@H]1CCCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447433544 1066808592 /nfs/dbraw/zinc/80/85/92/1066808592.db2.gz HBLWAMZIVMLYTI-FQEVSTJZSA-N 0 0 450.579 4.723 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2ccc(F)cc2I)s1 ZINC001457316551 1066808622 /nfs/dbraw/zinc/80/86/22/1066808622.db2.gz MVHPBANHMUCAJJ-UHFFFAOYSA-N 0 0 457.268 4.719 20 0 JJADRN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457315858 1066808694 /nfs/dbraw/zinc/80/86/94/1066808694.db2.gz MULIAAGQUXHEQY-HUUCEWRRSA-N 0 0 456.340 4.910 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001457316260 1066808806 /nfs/dbraw/zinc/80/88/06/1066808806.db2.gz QHIKKBUKMUFTAW-WOJBJXKFSA-N 0 0 450.457 4.546 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492674222 1066808683 /nfs/dbraw/zinc/80/86/83/1066808683.db2.gz NJENXTQRYOUBQS-CLWJZODNSA-N 0 0 474.675 4.514 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(c4ccccc4CO)CC3)n2CCSC(C)C)cs1 ZINC001492674552 1066809154 /nfs/dbraw/zinc/80/91/54/1066809154.db2.gz UJJKVKHOBBZBOF-UHFFFAOYSA-N 0 0 471.696 4.652 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccc(O)cc1 ZINC001447438546 1066809669 /nfs/dbraw/zinc/80/96/69/1066809669.db2.gz RYYMLVBDLJYVDR-GOSISDBHSA-N 0 0 451.422 4.663 20 0 JJADRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC001447442193 1066809735 /nfs/dbraw/zinc/80/97/35/1066809735.db2.gz BWVCMSQSVQHRLO-UZLBHIALSA-N 0 0 456.612 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCC(C)C)cs1 ZINC001492675173 1066810283 /nfs/dbraw/zinc/81/02/83/1066810283.db2.gz PBICHLDTQYSNFY-LJQANCHMSA-N 0 0 462.664 4.516 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001457324306 1066810297 /nfs/dbraw/zinc/81/02/97/1066810297.db2.gz LNAXLIMIVXBDES-SUMWQHHRSA-N 0 0 458.402 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2CC2CCC(C(F)(F)F)CC2)cs1 ZINC001492675246 1066810400 /nfs/dbraw/zinc/81/04/00/1066810400.db2.gz RBNVZYZGRJRNAC-UHFFFAOYSA-N 0 0 485.620 4.991 20 0 JJADRN Nc1cc(Br)c(F)cc1C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC001447445798 1066810389 /nfs/dbraw/zinc/81/03/89/1066810389.db2.gz GVJSJBDHFWJYET-UHFFFAOYSA-N 0 0 454.137 4.862 20 0 JJADRN O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N1CC=C(c2cccc(Br)c2)CC1 ZINC001447448552 1066810888 /nfs/dbraw/zinc/81/08/88/1066810888.db2.gz JURHJXWBQIRQIK-HXUWFJFHSA-N 0 0 458.377 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3ccsc3Br)cn2)CC1 ZINC001447451526 1066810914 /nfs/dbraw/zinc/81/09/14/1066810914.db2.gz UXOGWGKWBLOKDO-UHFFFAOYSA-N 0 0 455.378 4.531 20 0 JJADRN COc1cc(NC(=O)CNC(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)cc(OC)c1 ZINC001457331567 1066811284 /nfs/dbraw/zinc/81/12/84/1066811284.db2.gz ABRDPGFZJWDWRQ-WDZFZDKYSA-N 0 0 450.922 4.792 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCSc2ccccc2)cs1 ZINC001492675883 1066811456 /nfs/dbraw/zinc/81/14/56/1066811456.db2.gz NYVKVFDUULTZAK-HXUWFJFHSA-N 0 0 457.669 4.677 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)C2)c1 ZINC001447459994 1066811604 /nfs/dbraw/zinc/81/16/04/1066811604.db2.gz ZNGBIISRGGHRQS-NKKJXINNSA-N 0 0 453.558 4.757 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001457333059 1066811816 /nfs/dbraw/zinc/81/18/16/1066811816.db2.gz AOXRWNXQXSZFDN-RHSMWYFYSA-N 0 0 456.391 4.570 20 0 JJADRN COC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC001457333172 1066811900 /nfs/dbraw/zinc/81/19/00/1066811900.db2.gz JVDFWKNLUDZAPU-SFHVURJKSA-N 0 0 457.393 4.983 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492676324 1066812631 /nfs/dbraw/zinc/81/26/31/1066812631.db2.gz BURSQRKUTCCQFN-ZDUSSCGKSA-N 0 0 490.477 4.875 20 0 JJADRN O=C(CC1CCN(CC(F)F)CC1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447465062 1066812730 /nfs/dbraw/zinc/81/27/30/1066812730.db2.gz UDUGBEQXASIINA-IBGZPJMESA-N 0 0 450.505 4.687 20 0 JJADRN CC[C@@H](CNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)Oc1cccc(F)c1 ZINC001457341325 1066812961 /nfs/dbraw/zinc/81/29/61/1066812961.db2.gz OLUUOVUUFFNGIF-AWEZNQCLSA-N 0 0 456.827 4.666 20 0 JJADRN CCc1csc(-n2cc(C(=O)N3CCC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)cn2)n1 ZINC001457338802 1066813069 /nfs/dbraw/zinc/81/30/69/1066813069.db2.gz LCAXGOSKBIFMPA-INIZCTEOSA-N 0 0 451.379 4.882 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001457340644 1066813078 /nfs/dbraw/zinc/81/30/78/1066813078.db2.gz MAFYHLVWOUIMMG-UHFFFAOYSA-N 0 0 455.358 4.972 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ccccc21 ZINC001447477467 1066813484 /nfs/dbraw/zinc/81/34/84/1066813484.db2.gz NERQYZAPSODLIJ-LJQANCHMSA-N 0 0 450.583 4.683 20 0 JJADRN CCC1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)ns2)(C(=O)OC)CC1 ZINC001457345156 1066813459 /nfs/dbraw/zinc/81/34/59/1066813459.db2.gz SXAHAOHFVVIWRU-UHFFFAOYSA-N 0 0 451.386 4.814 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C[C@@H](C)O2 ZINC001457346454 1066814074 /nfs/dbraw/zinc/81/40/74/1066814074.db2.gz MLQBITABCCWFSO-OAHLLOKOSA-N 0 0 455.393 4.765 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492676575 1066814370 /nfs/dbraw/zinc/81/43/70/1066814370.db2.gz JEXCUOBKWNCVSE-WBMJQRKESA-N 0 0 468.549 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCOc2ccc(Cl)cn2)cs1 ZINC001492676910 1066814732 /nfs/dbraw/zinc/81/47/32/1066814732.db2.gz RCWSWLVOUJPTHT-AWEZNQCLSA-N 0 0 486.951 4.540 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)c3cccc(OCc4cccs4)c3)nc12 ZINC001447490707 1066815370 /nfs/dbraw/zinc/81/53/70/1066815370.db2.gz QTMOZGVWZDNSFS-UHFFFAOYSA-N 0 0 456.365 4.976 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492677003 1066815476 /nfs/dbraw/zinc/81/54/76/1066815476.db2.gz TWQDFKKTVDETSW-IEBWSBKVSA-N 0 0 476.691 4.762 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492677324 1066815857 /nfs/dbraw/zinc/81/58/57/1066815857.db2.gz CLVPVLHVATVSEH-FQEVSTJZSA-N 0 0 455.550 4.887 20 0 JJADRN CCc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)cnn1-c1ccccc1Cl ZINC001457358116 1066815976 /nfs/dbraw/zinc/81/59/76/1066815976.db2.gz PHEYNMULZWEVBO-JOCHJYFZSA-N 0 0 454.361 4.957 20 0 JJADRN CCc1ccc(C(C)(C)NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)cc1 ZINC001457362396 1066816607 /nfs/dbraw/zinc/81/66/07/1066816607.db2.gz WCPSUXWPWAUYRF-UHFFFAOYSA-N 0 0 458.562 4.724 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001492677410 1066816697 /nfs/dbraw/zinc/81/66/97/1066816697.db2.gz FRQNCJMIXLDFLR-FQEVSTJZSA-N 0 0 474.675 4.658 20 0 JJADRN O=C(NCCC1=CCCCCC1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001447506100 1066816721 /nfs/dbraw/zinc/81/67/21/1066816721.db2.gz IYKRPSKSPXUFBP-FQEVSTJZSA-N 0 0 451.380 4.980 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492677629 1066816753 /nfs/dbraw/zinc/81/67/53/1066816753.db2.gz BFZBCLXGZTZYEA-FQEVSTJZSA-N 0 0 496.681 4.732 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C[C@H]1CCCC2 ZINC001457366446 1066817676 /nfs/dbraw/zinc/81/76/76/1066817676.db2.gz QYIDRQMJUGVUBH-MZNJEOGPSA-N 0 0 458.990 4.887 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C3CCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678010 1066817726 /nfs/dbraw/zinc/81/77/26/1066817726.db2.gz PXRBSBOXRZIBOC-UWJYYQICSA-N 0 0 488.702 4.906 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457369288 1066818372 /nfs/dbraw/zinc/81/83/72/1066818372.db2.gz VABZDCUNIBHXMR-PBPSECFOSA-N 0 0 454.970 4.790 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457369292 1066818401 /nfs/dbraw/zinc/81/84/01/1066818401.db2.gz VABZDCUNIBHXMR-PXAQALGRSA-N 0 0 454.970 4.790 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001447522302 1066818472 /nfs/dbraw/zinc/81/84/72/1066818472.db2.gz IBRKZGFHLVDZQU-XUWVNRHRSA-N 0 0 464.431 4.511 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)c1ccc(NC(=O)C(C)(C)C)nc1)CC2 ZINC001457373492 1066818907 /nfs/dbraw/zinc/81/89/07/1066818907.db2.gz RFPHLXCTDGCPRU-UHFFFAOYSA-N 0 0 452.555 4.612 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)cc(F)c4C3)cc2)c1C ZINC001457377475 1066818916 /nfs/dbraw/zinc/81/89/16/1066818916.db2.gz VSGSZVNVYDPYGZ-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(F)cc(Br)c1 ZINC001457387477 1066819999 /nfs/dbraw/zinc/81/99/99/1066819999.db2.gz PKWDFKXRZCZGOD-GOSISDBHSA-N 0 0 452.320 4.973 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492678871 1066820047 /nfs/dbraw/zinc/82/00/47/1066820047.db2.gz PTKUFZKXYQDVGP-UEXGIBASSA-N 0 0 488.702 4.906 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001447548441 1066820122 /nfs/dbraw/zinc/82/01/22/1066820122.db2.gz CMBCUYQZCWRMII-UHFFFAOYSA-N 0 0 458.342 4.595 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C ZINC001447540230 1066820169 /nfs/dbraw/zinc/82/01/69/1066820169.db2.gz YPTOKNLOQNREGG-UHFFFAOYSA-N 0 0 453.663 4.878 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCc2ccccc2C)cs1 ZINC001492679063 1066820740 /nfs/dbraw/zinc/82/07/40/1066820740.db2.gz UEYTXVSCRDWKEY-NRFANRHFSA-N 0 0 494.709 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492679057 1066820841 /nfs/dbraw/zinc/82/08/41/1066820841.db2.gz UBWFJUHFQXQTAR-KRWDZBQOSA-N 0 0 459.582 4.864 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC(C(=O)c3cccs3)CC2)cc1 ZINC001457391641 1066820717 /nfs/dbraw/zinc/82/07/17/1066820717.db2.gz ASEAKZWOPIMVCZ-UHFFFAOYSA-N 0 0 458.381 4.740 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001447552451 1066820954 /nfs/dbraw/zinc/82/09/54/1066820954.db2.gz LDKLJIHENOHCMG-QHCPKHFHSA-N 0 0 455.480 4.717 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCc2ccccc2C)cs1 ZINC001492679064 1066820895 /nfs/dbraw/zinc/82/08/95/1066820895.db2.gz UEYTXVSCRDWKEY-OAQYLSRUSA-N 0 0 494.709 4.564 20 0 JJADRN C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NN1CCCC1=O ZINC001546090590 1066822111 /nfs/dbraw/zinc/82/21/11/1066822111.db2.gz XXRPQEHGUBNXER-HEHNFIMWSA-N 0 0 456.542 4.902 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCC(F)(F)C2)cs1 ZINC001492680187 1066822425 /nfs/dbraw/zinc/82/24/25/1066822425.db2.gz DEGSTSAQGKTQDV-DOTOQJQBSA-N 0 0 496.628 4.515 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 ZINC001457400185 1066822413 /nfs/dbraw/zinc/82/24/13/1066822413.db2.gz KVSPUUWBCJXSIE-YYULODDRSA-N 0 0 453.970 4.935 20 0 JJADRN CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC[C@@H]1c1ccccc1 ZINC001457398870 1066822479 /nfs/dbraw/zinc/82/24/79/1066822479.db2.gz XLKYMYZICXULCJ-OFVILXPXSA-N 0 0 454.636 4.907 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC[C@H]1c1ccccc1 ZINC001457398871 1066822502 /nfs/dbraw/zinc/82/25/02/1066822502.db2.gz XLKYMYZICXULCJ-PXDATVDWSA-N 0 0 454.636 4.907 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC001457399183 1066822583 /nfs/dbraw/zinc/82/25/83/1066822583.db2.gz KSOPTGOSEWICHB-UHFFFAOYSA-N 0 0 454.530 4.810 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545997331 1066822668 /nfs/dbraw/zinc/82/26/68/1066822668.db2.gz MWSSQASWTFOFQL-UIFIKXQLSA-N 0 0 459.610 4.936 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)Oc1ccccc1Cl ZINC001457401522 1066823019 /nfs/dbraw/zinc/82/30/19/1066823019.db2.gz SENNUNUWSPZKIS-MDZRGWNJSA-N 0 0 453.764 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2CC[C@@H](C)C2)cs1 ZINC001492680777 1066823129 /nfs/dbraw/zinc/82/31/29/1066823129.db2.gz ZIXDUPFTHOWEDD-LMMKCTJWSA-N 0 0 474.675 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC001447569088 1066823194 /nfs/dbraw/zinc/82/31/94/1066823194.db2.gz BHBFLVSXHHABIV-UHFFFAOYSA-N 0 0 450.461 4.787 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001457400614 1066823203 /nfs/dbraw/zinc/82/32/03/1066823203.db2.gz VIZIPNJRYMSYDK-ATLLOTDBSA-N 0 0 467.651 4.706 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC001457407778 1066824065 /nfs/dbraw/zinc/82/40/65/1066824065.db2.gz HDRHTAVUASCDKX-UHFFFAOYSA-N 0 0 451.567 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)c3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001457408830 1066824169 /nfs/dbraw/zinc/82/41/69/1066824169.db2.gz FVVLQLZIQVXPGK-GOSISDBHSA-N 0 0 457.958 4.758 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1ccc(C)cc1Br ZINC001447575415 1066824229 /nfs/dbraw/zinc/82/42/29/1066824229.db2.gz QZWKSNNTGIEKAN-GOSISDBHSA-N 0 0 453.421 4.938 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001457408817 1066824233 /nfs/dbraw/zinc/82/42/33/1066824233.db2.gz FNVPCYJJVKGAPD-IBGZPJMESA-N 0 0 455.555 4.569 20 0 JJADRN CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)[C@H](COC)Cc1ccccc1 ZINC001457411508 1066824752 /nfs/dbraw/zinc/82/47/52/1066824752.db2.gz ADMNHZHYNGHKMQ-NRFANRHFSA-N 0 0 456.384 4.663 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCc2ccc(F)cc2Cl)cs1 ZINC001492682095 1066824880 /nfs/dbraw/zinc/82/48/80/1066824880.db2.gz OYXQVEOXXBJNEE-HXUWFJFHSA-N 0 0 478.037 4.920 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H](CCO)c2ccccc2Br)cc1OC ZINC001447578779 1066824894 /nfs/dbraw/zinc/82/48/94/1066824894.db2.gz AMAUAIZHJJRYGC-KRWDZBQOSA-N 0 0 456.764 4.753 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001447576861 1066824902 /nfs/dbraw/zinc/82/49/02/1066824902.db2.gz RVWSTBGFPVXQDU-YTQUADARSA-N 0 0 456.505 4.937 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545997920 1066824936 /nfs/dbraw/zinc/82/49/36/1066824936.db2.gz YQQFOGJWLNRWLD-ZEQRLZLVSA-N 0 0 497.684 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492682639 1066825483 /nfs/dbraw/zinc/82/54/83/1066825483.db2.gz CCDHSRNPAHNKBL-AWEZNQCLSA-N 0 0 465.545 4.705 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4cccc(Cl)c4)C3)n2CCC(C)(F)F)cs1 ZINC001492683508 1066825963 /nfs/dbraw/zinc/82/59/63/1066825963.db2.gz ZXJCLZLJMUEVEL-SFHVURJKSA-N 0 0 467.973 4.910 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCO)c2ccccc2Br)c1 ZINC001447587614 1066826222 /nfs/dbraw/zinc/82/62/22/1066826222.db2.gz RSSRITXQGHWBKE-GOSISDBHSA-N 0 0 453.764 4.551 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492683608 1066826663 /nfs/dbraw/zinc/82/66/63/1066826663.db2.gz CXILAAMEFPMFRT-LLVKDONJSA-N 0 0 459.588 4.704 20 0 JJADRN O=C(COc1ccccc1Cc1ccccc1)N[C@H](CCO)c1ccccc1Br ZINC001447590910 1066826625 /nfs/dbraw/zinc/82/66/25/1066826625.db2.gz YCGZMXWDEOBMOA-JOCHJYFZSA-N 0 0 454.364 4.659 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1-c1cccc(F)c1 ZINC001457417101 1066826740 /nfs/dbraw/zinc/82/67/40/1066826740.db2.gz LWFOBBJQTDYRRW-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1)c1cccs1 ZINC001447591903 1066826805 /nfs/dbraw/zinc/82/68/05/1066826805.db2.gz ZZEZKCANKVVGKZ-SFHVURJKSA-N 0 0 459.365 4.616 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@](C)(O)C2CCCCC2)cs1 ZINC001492683952 1066827321 /nfs/dbraw/zinc/82/73/21/1066827321.db2.gz MPOFVTQZPGMMID-OFNKIYASSA-N 0 0 463.717 4.543 20 0 JJADRN O=C(Nc1ncc(C2CCCCC2)s1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001447592590 1066827273 /nfs/dbraw/zinc/82/72/73/1066827273.db2.gz NPTPRVCAVICPCJ-UHFFFAOYSA-N 0 0 455.605 4.922 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@]3(C)CCO[C@H]3C)cc2)c1C ZINC001447597472 1066827284 /nfs/dbraw/zinc/82/72/84/1066827284.db2.gz VYPKGTWHUARSNW-AVRWGWEMSA-N 0 0 458.624 4.699 20 0 JJADRN COCC[C@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001447604291 1066827426 /nfs/dbraw/zinc/82/74/26/1066827426.db2.gz LGWBKFRLEBESNX-LJQANCHMSA-N 0 0 458.352 4.999 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)cs1 ZINC001492683951 1066827468 /nfs/dbraw/zinc/82/74/68/1066827468.db2.gz MPOFVTQZPGMMID-NZQKXSOJSA-N 0 0 463.717 4.543 20 0 JJADRN COC(=O)C1(CNC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)[nH]c2=O)CCCCC1 ZINC001447601861 1066827509 /nfs/dbraw/zinc/82/75/09/1066827509.db2.gz WALSUUCFWSYSOV-UHFFFAOYSA-N 0 0 451.567 4.571 20 0 JJADRN C[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)n1cc(Br)cn1 ZINC001447608728 1066827916 /nfs/dbraw/zinc/82/79/16/1066827916.db2.gz NZCIXZRBPXHUEI-QAPCUYQASA-N 0 0 458.360 4.791 20 0 JJADRN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001447606702 1066828035 /nfs/dbraw/zinc/82/80/35/1066828035.db2.gz HZRKSOQHODDPHO-UHFFFAOYSA-N 0 0 459.453 4.717 20 0 JJADRN O=C(c1cncc2ccccc21)N1CCC(Oc2ccccc2I)CC1 ZINC001457421414 1066828049 /nfs/dbraw/zinc/82/80/49/1066828049.db2.gz JJLXKCDNJUHNQT-UHFFFAOYSA-N 0 0 458.299 4.523 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCc2csc(C(C)C)n2)cs1 ZINC001492684188 1066828638 /nfs/dbraw/zinc/82/86/38/1066828638.db2.gz SYFZYCWYDHYNNH-CABCVRRESA-N 0 0 462.714 4.787 20 0 JJADRN O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001457424532 1066828651 /nfs/dbraw/zinc/82/86/51/1066828651.db2.gz HALWFCKEQLGTST-UHFFFAOYSA-N 0 0 458.280 4.940 20 0 JJADRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccsc2Br)C1)c1ccccc1 ZINC001447610915 1066828775 /nfs/dbraw/zinc/82/87/75/1066828775.db2.gz RPHGSGVJLYSMFY-CQSZACIVSA-N 0 0 459.369 4.506 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001457422678 1066828790 /nfs/dbraw/zinc/82/87/90/1066828790.db2.gz PKRVRBJMKGENSO-PGRDOPGGSA-N 0 0 461.343 4.639 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N(C)[C@@H](C)C3(C)CC3)cc2)cc1C ZINC001457425499 1066829322 /nfs/dbraw/zinc/82/93/22/1066829322.db2.gz CYLHTFZOIIQZDF-UXHICEINSA-N 0 0 458.624 4.543 20 0 JJADRN Cc1sc(Br)c(C(=O)Nc2ccc(I)cc2O)c1C ZINC001447622390 1066830412 /nfs/dbraw/zinc/83/04/12/1066830412.db2.gz DXYSJWAHSHSWPJ-UHFFFAOYSA-N 0 0 452.111 4.690 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001457427610 1066830435 /nfs/dbraw/zinc/83/04/35/1066830435.db2.gz CXBPCMNOKBAQJT-JTQLQIEISA-N 0 0 457.246 4.616 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCCCOC(C)C)C2)no1 ZINC001492685850 1066830242 /nfs/dbraw/zinc/83/02/42/1066830242.db2.gz MHNJSQQMFCHQSA-LJQANCHMSA-N 0 0 473.021 4.954 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC(C)(C)O)C2)no1 ZINC001492685894 1066830342 /nfs/dbraw/zinc/83/03/42/1066830342.db2.gz NNYCMRQEJCZWDS-IBGZPJMESA-N 0 0 466.630 4.554 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492686350 1066830696 /nfs/dbraw/zinc/83/06/96/1066830696.db2.gz ZQXWCJHKCKMEJX-IYBDPMFKSA-N 0 0 498.644 4.666 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCOc3ccc(F)cc3)C2)no1 ZINC001492686061 1066830803 /nfs/dbraw/zinc/83/08/03/1066830803.db2.gz RYLJCXDILSYSNP-IBGZPJMESA-N 0 0 470.593 4.724 20 0 JJADRN O=Cc1ccc(OCC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c(Br)c1 ZINC001447623871 1066831001 /nfs/dbraw/zinc/83/10/01/1066831001.db2.gz CKNJBQAJZMMXGM-HNNXBMFYSA-N 0 0 456.258 4.675 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)c1C(C)C ZINC001457430981 1066831271 /nfs/dbraw/zinc/83/12/71/1066831271.db2.gz JBRYVKHHDJAJQI-UHFFFAOYSA-N 0 0 458.440 4.906 20 0 JJADRN CC(C)CNC(=O)C1(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CCCC1 ZINC001457432699 1066831529 /nfs/dbraw/zinc/83/15/29/1066831529.db2.gz ZNBUJVMFIXMNET-UHFFFAOYSA-N 0 0 455.624 4.524 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@H](O)CCc3ccccc3)cc12 ZINC001447629300 1066831464 /nfs/dbraw/zinc/83/14/64/1066831464.db2.gz JKBUVFIJNKJNOO-LJQANCHMSA-N 0 0 453.995 4.831 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(OC(C)C)CC2)cs1 ZINC001492686912 1066831546 /nfs/dbraw/zinc/83/15/46/1066831546.db2.gz ONPZOTZTKGLROM-KRWDZBQOSA-N 0 0 473.618 4.959 20 0 JJADRN O=C(COc1cc(F)cc(F)c1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC001457438835 1066831953 /nfs/dbraw/zinc/83/19/53/1066831953.db2.gz CSKUCUNTVIUQQX-UHFFFAOYSA-N 0 0 450.239 4.672 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](OCC(C)C)C2)cs1 ZINC001492687073 1066831969 /nfs/dbraw/zinc/83/19/69/1066831969.db2.gz ACDRDKNHZPGHNN-FQEVSTJZSA-N 0 0 490.471 4.967 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC001492686969 1066831973 /nfs/dbraw/zinc/83/19/73/1066831973.db2.gz PYVBZPTXAKVXCQ-DAYGRLMNSA-N 0 0 472.037 4.840 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(-c2nc(CC)no2)cc1Cl)NC(C)=O ZINC001447630797 1066831938 /nfs/dbraw/zinc/83/19/38/1066831938.db2.gz FJXXVGHIRBMCSZ-IBGZPJMESA-N 0 0 456.930 4.557 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)cs1 ZINC001492686958 1066832083 /nfs/dbraw/zinc/83/20/83/1066832083.db2.gz PSSHQNVPCRKQKH-JKSUJKDBSA-N 0 0 459.591 4.569 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 ZINC001447632018 1066832579 /nfs/dbraw/zinc/83/25/79/1066832579.db2.gz JCCLBWWMJSQNGA-UXHICEINSA-N 0 0 454.876 4.526 20 0 JJADRN CCc1[nH]nc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1-c1ccc2c(c1)OCO2 ZINC001457447312 1066833029 /nfs/dbraw/zinc/83/30/29/1066833029.db2.gz PWMYJQUMQBCOET-INIZCTEOSA-N 0 0 458.559 4.636 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(CC)[C@@H]3c3cccc(C)c3)c(Cl)c2)n1 ZINC001447634450 1066833004 /nfs/dbraw/zinc/83/30/04/1066833004.db2.gz OMITUFMWSWGQRJ-VGOFRKELSA-N 0 0 452.942 4.809 20 0 JJADRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001457454890 1066833612 /nfs/dbraw/zinc/83/36/12/1066833612.db2.gz TTZRTGWXPQEUMC-GHTZIAJQSA-N 0 0 453.583 4.882 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001457452622 1066833703 /nfs/dbraw/zinc/83/37/03/1066833703.db2.gz QOMXBNBDVTUZOS-CTAFRAEOSA-N 0 0 454.533 4.715 20 0 JJADRN CCCCO[C@H]1C[C@H](NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1(C)C ZINC001457454778 1066833717 /nfs/dbraw/zinc/83/37/17/1066833717.db2.gz SOKOBKSEGXFIFE-ROUUACIJSA-N 0 0 450.505 4.877 20 0 JJADRN Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4)c3)C2)c1 ZINC001447636440 1066833704 /nfs/dbraw/zinc/83/37/04/1066833704.db2.gz WXAVYVNHCQGCQC-NRFANRHFSA-N 0 0 452.551 4.873 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cs1 ZINC001492687647 1066833736 /nfs/dbraw/zinc/83/37/36/1066833736.db2.gz LUMGJGTZUKBYON-OAQYLSRUSA-N 0 0 493.475 4.685 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)c2ccccc2)n[nH]1 ZINC001492687798 1066833789 /nfs/dbraw/zinc/83/37/89/1066833789.db2.gz QSAOEBOCRLVYQW-AWEZNQCLSA-N 0 0 486.443 4.678 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cs1 ZINC001492687739 1066833811 /nfs/dbraw/zinc/83/38/11/1066833811.db2.gz OTGNRSKPVZZBQF-UHFFFAOYSA-N 0 0 489.045 4.521 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N2CC=C(C(C)(C)C)CC2)n[nH]1 ZINC001492687738 1066833940 /nfs/dbraw/zinc/83/39/40/1066833940.db2.gz OSRQTYRGHGWEBZ-UHFFFAOYSA-N 0 0 470.419 4.559 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccccc1NCCCc1ccccc1 ZINC001447642029 1066834171 /nfs/dbraw/zinc/83/41/71/1066834171.db2.gz BDNHWPDQXVGSFT-UHFFFAOYSA-N 0 0 453.546 4.779 20 0 JJADRN O=C(CCc1c2cccc(Br)c2[nH]c1-c1ccccc1)N[C@H](CO)CC(F)F ZINC001447639031 1066834292 /nfs/dbraw/zinc/83/42/92/1066834292.db2.gz GIFMXQVMRSLCHN-AWEZNQCLSA-N 0 0 451.311 4.662 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC(F)(F)C2)cs1 ZINC001492688174 1066834486 /nfs/dbraw/zinc/83/44/86/1066834486.db2.gz FWYFUWUSBVILCI-UHFFFAOYSA-N 0 0 472.334 4.700 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)cs1 ZINC001492688092 1066834515 /nfs/dbraw/zinc/83/45/15/1066834515.db2.gz BYXYDEVSEOPRDO-UHFFFAOYSA-N 0 0 454.344 4.561 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(C(F)(F)F)c(OC)c1 ZINC001457457777 1066834724 /nfs/dbraw/zinc/83/47/24/1066834724.db2.gz OTTGMQMHUNSWRY-UHFFFAOYSA-N 0 0 450.457 4.991 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3CCC(C(=O)c4ccc(CC(C)C)cc4)CC3)CCC2=O)c1 ZINC001457458500 1066834767 /nfs/dbraw/zinc/83/47/67/1066834767.db2.gz AMDSUYQZRQQSGJ-UHFFFAOYSA-N 0 0 459.590 4.798 20 0 JJADRN Cc1ccc(C(=O)C2CCN(C(=O)c3cc4cc(Br)cnc4n3C)CC2)c(C)c1 ZINC001457458531 1066834829 /nfs/dbraw/zinc/83/48/29/1066834829.db2.gz BMZNFLSQQSVFOS-UHFFFAOYSA-N 0 0 454.368 4.688 20 0 JJADRN COCCNc1ccccc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001447644265 1066834884 /nfs/dbraw/zinc/83/48/84/1066834884.db2.gz MJZQTRBBGDZXNC-UHFFFAOYSA-N 0 0 450.486 4.680 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC001447647521 1066835017 /nfs/dbraw/zinc/83/50/17/1066835017.db2.gz CUZYIMAGJZSYOC-UHFFFAOYSA-N 0 0 456.599 4.931 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCO[C@H](C)C2)cs1 ZINC001492689164 1066835029 /nfs/dbraw/zinc/83/50/29/1066835029.db2.gz YPMSJUCQCRTZQD-LJQANCHMSA-N 0 0 469.655 4.993 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC(C)(C)CC2)n[nH]1 ZINC001492689022 1066835085 /nfs/dbraw/zinc/83/50/85/1066835085.db2.gz XDEIXQUMYKBCHS-UHFFFAOYSA-N 0 0 451.619 4.666 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545999108 1066835057 /nfs/dbraw/zinc/83/50/57/1066835057.db2.gz ICYPHZPICHZDCS-PZJWPPBQSA-N 0 0 480.613 4.810 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn(CCC(C)C)c2CC)C1(C)C ZINC001447648725 1066835410 /nfs/dbraw/zinc/83/54/10/1066835410.db2.gz IFEJDJXHUVHPHD-NTKDMRAZSA-N 0 0 450.624 4.529 20 0 JJADRN CCOc1cc(O)ccc1NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001447650743 1066835538 /nfs/dbraw/zinc/83/55/38/1066835538.db2.gz DAMFOOQHVZZKMP-UHFFFAOYSA-N 0 0 451.182 4.667 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)cs1 ZINC001492690041 1066835602 /nfs/dbraw/zinc/83/56/02/1066835602.db2.gz HORILPDPUALDOY-UHFFFAOYSA-N 0 0 467.565 4.541 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)c2cccc(O)c2)cs1 ZINC001492690343 1066835649 /nfs/dbraw/zinc/83/56/49/1066835649.db2.gz NYKASICUUMJGEY-CQSZACIVSA-N 0 0 454.625 4.544 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C(C)C)C2)cs1 ZINC001492689187 1066835674 /nfs/dbraw/zinc/83/56/74/1066835674.db2.gz ZARXPBYKJNQCQD-LJQANCHMSA-N 0 0 476.444 4.576 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc(C(F)(F)F)c1 ZINC001457461145 1066835820 /nfs/dbraw/zinc/83/58/20/1066835820.db2.gz UIVHAZLXPKGOHD-UHFFFAOYSA-N 0 0 456.490 4.969 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F)Oc1cccc(C(F)(F)F)c1 ZINC001457462996 1066835845 /nfs/dbraw/zinc/83/58/45/1066835845.db2.gz IHPHPRIMEPHCHD-OXQOHEQNSA-N 0 0 458.427 4.525 20 0 JJADRN Cc1nc(CCn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)cs1 ZINC001492690506 1066836261 /nfs/dbraw/zinc/83/62/61/1066836261.db2.gz QYTLPZZTJMATCK-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001492690701 1066836267 /nfs/dbraw/zinc/83/62/67/1066836267.db2.gz PJRSWBUBMBEUES-QGZVFWFLSA-N 0 0 465.545 4.835 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001492690494 1066836319 /nfs/dbraw/zinc/83/63/19/1066836319.db2.gz MSZYBQATPUQVNE-GOSISDBHSA-N 0 0 476.691 4.568 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3ccccc3[S@@](=O)C(F)(F)F)n2)cc1 ZINC001457465119 1066836315 /nfs/dbraw/zinc/83/63/15/1066836315.db2.gz VFVWJHKYTYJKSH-GDLZYMKVSA-N 0 0 459.496 4.578 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N(CCO)Cc3cc(Br)cs3)cs2)c1 ZINC001447653903 1066836545 /nfs/dbraw/zinc/83/65/45/1066836545.db2.gz UEJICKHLPOAEND-UHFFFAOYSA-N 0 0 451.411 4.506 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)s1 ZINC001457467147 1066836710 /nfs/dbraw/zinc/83/67/10/1066836710.db2.gz XJUKKJQERXVVEG-HNNXBMFYSA-N 0 0 453.568 4.808 20 0 JJADRN Cc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC001457465413 1066836744 /nfs/dbraw/zinc/83/67/44/1066836744.db2.gz PTRJRSLGDHOAIK-UHFFFAOYSA-N 0 0 458.967 4.600 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](CC(C)C)C2)cs1 ZINC001492691431 1066836692 /nfs/dbraw/zinc/83/66/92/1066836692.db2.gz BNZSPYUZUMWIBU-SBHAEUEKSA-N 0 0 488.702 4.929 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)s1 ZINC001457467490 1066836877 /nfs/dbraw/zinc/83/68/77/1066836877.db2.gz YDTPHYSDWDNESI-HNNXBMFYSA-N 0 0 453.568 4.808 20 0 JJADRN COC(=O)c1nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)sc1C1CC1 ZINC001447656604 1066837446 /nfs/dbraw/zinc/83/74/46/1066837446.db2.gz XWFLHUKDEWCWIA-CQSZACIVSA-N 0 0 457.552 4.675 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OC(C)(C)C)CC2)cs1 ZINC001492692163 1066837493 /nfs/dbraw/zinc/83/74/93/1066837493.db2.gz OXXZSEIRUIFFRQ-NHCUHLMSSA-N 0 0 475.703 4.988 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n[nH]1 ZINC001492692158 1066837535 /nfs/dbraw/zinc/83/75/35/1066837535.db2.gz UXSZIACVGVQVTP-HSZRJFAPSA-N 0 0 490.077 4.534 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545999243 1066837530 /nfs/dbraw/zinc/83/75/30/1066837530.db2.gz KBFJQZPDCFMDGL-UYAOXDASSA-N 0 0 466.586 4.502 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001457471427 1066837923 /nfs/dbraw/zinc/83/79/23/1066837923.db2.gz FJJDORANFNONCM-IAQAZVPISA-N 0 0 456.608 4.945 20 0 JJADRN COc1ccc2[nH]c(NC(=O)c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc3F)cc2c1 ZINC001447659791 1066837907 /nfs/dbraw/zinc/83/79/07/1066837907.db2.gz ROZMDPLHEQBVHM-UHFFFAOYSA-N 0 0 457.458 4.508 20 0 JJADRN Cc1nc(CN2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCCC(C)(C)C)CC2)no1 ZINC001492692539 1066837945 /nfs/dbraw/zinc/83/79/45/1066837945.db2.gz WPYBLCSFJBEPHG-LJQANCHMSA-N 0 0 499.635 4.787 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C)C1 ZINC001457470910 1066838611 /nfs/dbraw/zinc/83/86/11/1066838611.db2.gz MIANMSYCHAACMV-PKOBYXMFSA-N 0 0 455.396 4.756 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCCN(C)c3ccccc3F)CC2)cs1 ZINC001492693694 1066838646 /nfs/dbraw/zinc/83/86/46/1066838646.db2.gz NPYFSXKLWYWFHM-UHFFFAOYSA-N 0 0 499.704 4.619 20 0 JJADRN Cc1ccc(O)cc1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 ZINC001457473365 1066839143 /nfs/dbraw/zinc/83/91/43/1066839143.db2.gz PILODWYHSPHTGM-UHFFFAOYSA-N 0 0 452.551 4.505 20 0 JJADRN COC(=O)c1sc(NC(=O)Cc2c[nH]c3cccc(Br)c23)nc1C(C)(C)C ZINC001457472300 1066839148 /nfs/dbraw/zinc/83/91/48/1066839148.db2.gz GZXOUQNOGWHNKC-UHFFFAOYSA-N 0 0 450.358 4.652 20 0 JJADRN CC(C)c1ccc(OCCC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC001447663097 1066839112 /nfs/dbraw/zinc/83/91/12/1066839112.db2.gz UGRRFFFTQNTTDB-UHFFFAOYSA-N 0 0 451.485 4.988 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCCCO)cs1 ZINC001492693999 1066839299 /nfs/dbraw/zinc/83/92/99/1066839299.db2.gz APPIIOGIONVKIC-HMXCVIKNSA-N 0 0 461.676 4.856 20 0 JJADRN CCOC(=O)c1c(NC(=O)C2(C(C)(F)F)CC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001457474615 1066839479 /nfs/dbraw/zinc/83/94/79/1066839479.db2.gz FUYJEPJTPTVLBR-UHFFFAOYSA-N 0 0 458.527 4.592 20 0 JJADRN Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n(-c2ccc(C)nn2)n1 ZINC001457476067 1066839555 /nfs/dbraw/zinc/83/95/55/1066839555.db2.gz ITFXMGPVNMJJSF-UHFFFAOYSA-N 0 0 457.321 4.812 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545998856 1066839773 /nfs/dbraw/zinc/83/97/73/1066839773.db2.gz CKBRFPSTNKDNOX-PGRDOPGGSA-N 0 0 482.604 4.904 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1NCc1ccccc1 ZINC001447672549 1066839850 /nfs/dbraw/zinc/83/98/50/1066839850.db2.gz ZYVAYTGDNCGLNU-FQEVSTJZSA-N 0 0 453.380 4.642 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)C)cs1 ZINC001492694654 1066839900 /nfs/dbraw/zinc/83/99/00/1066839900.db2.gz JTZUBOJTXQIENQ-HXUWFJFHSA-N 0 0 459.641 4.501 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492694683 1066840404 /nfs/dbraw/zinc/84/04/04/1066840404.db2.gz QIFHLUJLECLAQS-LJQANCHMSA-N 0 0 495.672 4.671 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc(Br)c1F ZINC001447676020 1066840426 /nfs/dbraw/zinc/84/04/26/1066840426.db2.gz AUYRHYAAHULRMV-UHFFFAOYSA-N 0 0 453.651 4.936 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545998885 1066840482 /nfs/dbraw/zinc/84/04/82/1066840482.db2.gz DJALCIPHFUJTKP-IWQHBPENSA-N 0 0 457.594 4.546 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)CCCCSC)CN(C(=O)OC(C)(C)C)CC2 ZINC001457481795 1066840601 /nfs/dbraw/zinc/84/06/01/1066840601.db2.gz UVKBGESJTMFHOT-UHFFFAOYSA-N 0 0 456.630 4.690 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1)CC1CC1 ZINC001447683599 1066840822 /nfs/dbraw/zinc/84/08/22/1066840822.db2.gz XNXYTMUJNCVXDS-IBGZPJMESA-N 0 0 456.612 4.982 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492694996 1066841009 /nfs/dbraw/zinc/84/10/09/1066841009.db2.gz XCSXULDTXFQDED-GOSISDBHSA-N 0 0 478.563 4.773 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc2c(Br)cnn2c1)Oc1cccc(C(F)(F)F)c1 ZINC001457483951 1066841131 /nfs/dbraw/zinc/84/11/31/1066841131.db2.gz YWAGQTKFAIPWRQ-AWEZNQCLSA-N 0 0 456.262 4.703 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1)O[C@H](C)C2 ZINC001457488217 1066841268 /nfs/dbraw/zinc/84/12/68/1066841268.db2.gz KUGXFMAAYSKGQX-SFJXLCSZSA-N 0 0 457.954 4.586 20 0 JJADRN CCc1nc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1Cl ZINC001447688655 1066841709 /nfs/dbraw/zinc/84/17/09/1066841709.db2.gz BZUCNMXQALGQMN-KRWDZBQOSA-N 0 0 453.757 4.643 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001457491480 1066841868 /nfs/dbraw/zinc/84/18/68/1066841868.db2.gz CPDUYXARUBMECZ-IRXDYDNUSA-N 0 0 451.032 4.822 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC001447689379 1066842109 /nfs/dbraw/zinc/84/21/09/1066842109.db2.gz POCVFLGDMXVRQJ-ZDUSSCGKSA-N 0 0 454.502 4.549 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001447690143 1066842163 /nfs/dbraw/zinc/84/21/63/1066842163.db2.gz OGWOVQLFPLRKDX-MGPUTAFESA-N 0 0 457.796 4.708 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3C)n2CCOc2ncccc2Cl)s1 ZINC001492695505 1066842179 /nfs/dbraw/zinc/84/21/79/1066842179.db2.gz DMIGKADTZGLCMI-UHFFFAOYSA-N 0 0 454.987 4.782 20 0 JJADRN CCc1c(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001447689513 1066842175 /nfs/dbraw/zinc/84/21/75/1066842175.db2.gz CPCWMPCQBDUHJB-XWTMOSNGSA-N 0 0 478.515 4.941 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492695364 1066842205 /nfs/dbraw/zinc/84/22/05/1066842205.db2.gz YJLDJHAWNRQMHL-CRAIPNDOSA-N 0 0 462.664 4.886 20 0 JJADRN O=C(N[C@H](C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC001447691993 1066842670 /nfs/dbraw/zinc/84/26/70/1066842670.db2.gz JEZASTHNVKWNPN-YADHBBJMSA-N 0 0 457.357 4.704 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1)O[C@H](C)C2 ZINC001457495004 1066842999 /nfs/dbraw/zinc/84/29/99/1066842999.db2.gz XGAOJKAPLSWKHM-IVMMDQJWSA-N 0 0 458.580 4.692 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC001457493373 1066843048 /nfs/dbraw/zinc/84/30/48/1066843048.db2.gz NXGKPPSYMPMFEC-OAHLLOKOSA-N 0 0 454.368 4.777 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@H]2C(C)C)s1 ZINC001492695824 1066843318 /nfs/dbraw/zinc/84/33/18/1066843318.db2.gz NZDBXQDEOCQOCP-XLIONFOSSA-N 0 0 461.035 4.846 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC001447692848 1066843363 /nfs/dbraw/zinc/84/33/63/1066843363.db2.gz BVWXZPKLUFTZMJ-HNNXBMFYSA-N 0 0 451.430 4.843 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1O ZINC001447692881 1066843418 /nfs/dbraw/zinc/84/34/18/1066843418.db2.gz CIWNLLLDDZUHTH-FQEVSTJZSA-N 0 0 456.292 4.700 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457498417 1066843447 /nfs/dbraw/zinc/84/34/47/1066843447.db2.gz YISQNWLHERGJGX-CQSZACIVSA-N 0 0 457.864 4.584 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@@H]2C(C)C)s1 ZINC001492695825 1066843449 /nfs/dbraw/zinc/84/34/49/1066843449.db2.gz NZDBXQDEOCQOCP-YLJYHZDGSA-N 0 0 461.035 4.846 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001457498315 1066843497 /nfs/dbraw/zinc/84/34/97/1066843497.db2.gz XZXYHUQKOHQQLS-AJYBTWMASA-N 0 0 454.533 4.953 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3cccc(OCCN(C)C(=O)OC(C)(C)C)c3)CC2)s1 ZINC001447694918 1066843951 /nfs/dbraw/zinc/84/39/51/1066843951.db2.gz UJVVDZSCQFYPAA-UHFFFAOYSA-N 0 0 459.612 4.717 20 0 JJADRN Cc1cc(OCCCC(=O)NC[C@H](CO)Cc2ccccc2Br)ccc1Cl ZINC001447699059 1066843966 /nfs/dbraw/zinc/84/39/66/1066843966.db2.gz RQZFHYDJHSWMRD-MRXNPFEDSA-N 0 0 454.792 4.537 20 0 JJADRN Cc1ccc(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c(-c2nc(C3CC3)no2)c1 ZINC001457500005 1066844050 /nfs/dbraw/zinc/84/40/50/1066844050.db2.gz WQQAGBXHQZQOOF-UHFFFAOYSA-N 0 0 455.540 4.656 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)COCc2ccccc2)s1 ZINC001492695924 1066844176 /nfs/dbraw/zinc/84/41/76/1066844176.db2.gz PZYSVRBAUKUDCE-SFHVURJKSA-N 0 0 450.612 4.538 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1occc1CN1C(=O)Cc2ccccc21 ZINC001447701539 1066844526 /nfs/dbraw/zinc/84/45/26/1066844526.db2.gz HFBNHJZLPAPOAE-UHFFFAOYSA-N 0 0 458.436 4.539 20 0 JJADRN C/C(=C\C(=O)NC[C@@H](CO)Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001447699126 1066844575 /nfs/dbraw/zinc/84/45/75/1066844575.db2.gz SAHHXWWUETYZBS-IPJDOKCGSA-N 0 0 456.302 4.839 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCC2CCOCC2)s1 ZINC001492695941 1066844581 /nfs/dbraw/zinc/84/45/81/1066844581.db2.gz QVAWFGNEYXSCIL-UHFFFAOYSA-N 0 0 463.554 4.765 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[C@@H]2CCOC2)s1 ZINC001492695974 1066844669 /nfs/dbraw/zinc/84/46/69/1066844669.db2.gz SLHBPANMOOSECO-OAHLLOKOSA-N 0 0 462.417 4.536 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001545999495 1066845036 /nfs/dbraw/zinc/84/50/36/1066845036.db2.gz OWKYPAIBHXLYAH-IEBWSBKVSA-N 0 0 477.030 4.595 20 0 JJADRN C[C@H](CN(C)C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001447705414 1066845106 /nfs/dbraw/zinc/84/51/06/1066845106.db2.gz PSNGARMCXZUMDE-XIKOKIGWSA-N 0 0 450.284 4.842 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2NC(=O)CC2(C)C)s1 ZINC001492696168 1066845170 /nfs/dbraw/zinc/84/51/70/1066845170.db2.gz WPZNZFLAZYHTOL-QGZVFWFLSA-N 0 0 479.437 4.568 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2Cc2ncccc2C)s1 ZINC001492696169 1066845188 /nfs/dbraw/zinc/84/51/88/1066845188.db2.gz WSGFLPJJVBIZGP-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001457505053 1066845216 /nfs/dbraw/zinc/84/52/16/1066845216.db2.gz PJPUFNZPFQTCLA-NVXWUHKLSA-N 0 0 454.368 4.941 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2OCC[C@H]2C)s1 ZINC001492696172 1066845478 /nfs/dbraw/zinc/84/54/78/1066845478.db2.gz WTWBXAIWMLTTMC-AUUYWEPGSA-N 0 0 476.444 4.842 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccco2)s1 ZINC001492696144 1066845362 /nfs/dbraw/zinc/84/53/62/1066845362.db2.gz VMBIWDSFADYQLH-UHFFFAOYSA-N 0 0 478.622 4.667 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2Cc2snnc2C)s1 ZINC001492696154 1066845395 /nfs/dbraw/zinc/84/53/95/1066845395.db2.gz WBIUNEPPIKIOKX-UHFFFAOYSA-N 0 0 490.456 4.626 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447707656 1066845918 /nfs/dbraw/zinc/84/59/18/1066845918.db2.gz GJGFHMIKYAZEEG-LJQANCHMSA-N 0 0 456.631 4.973 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H](C)C2)s1 ZINC001492696211 1066845815 /nfs/dbraw/zinc/84/58/15/1066845815.db2.gz XZHVXNCSFUAPOY-GOEBONIOSA-N 0 0 476.444 4.924 20 0 JJADRN CCS[C@H]1CCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001457508175 1066845852 /nfs/dbraw/zinc/84/58/52/1066845852.db2.gz UMAFHTIQNSXXHU-PMACEKPBSA-N 0 0 456.612 4.956 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545999659 1066846392 /nfs/dbraw/zinc/84/63/92/1066846392.db2.gz RZGQUWAFQIVBGN-NHCUHLMSSA-N 0 0 495.624 4.768 20 0 JJADRN CCc1c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cnn1-c1ccc(OC)cc1 ZINC001457508870 1066846521 /nfs/dbraw/zinc/84/65/21/1066846521.db2.gz MCOMBHCSDAOQKP-CQSZACIVSA-N 0 0 451.914 4.638 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@@H]2C)s1 ZINC001492696301 1066846610 /nfs/dbraw/zinc/84/66/10/1066846610.db2.gz IZLOCCLNLKUMNV-QFBILLFUSA-N 0 0 452.628 4.985 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3C)cn2)cn1 ZINC001447720535 1066847076 /nfs/dbraw/zinc/84/70/76/1066847076.db2.gz QJSCJCDETMNXIA-VWLOTQADSA-N 0 0 456.546 4.775 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC001447718358 1066847081 /nfs/dbraw/zinc/84/70/81/1066847081.db2.gz LWTXCRLLLJKJGC-FQEVSTJZSA-N 0 0 451.876 4.951 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2ccoc2COc2ccc(C=O)cc2)c1 ZINC001447719778 1066847115 /nfs/dbraw/zinc/84/71/15/1066847115.db2.gz PPWSHZXIAWWMCB-UHFFFAOYSA-N 0 0 458.308 4.714 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2scnc2C)s1 ZINC001492696603 1066847151 /nfs/dbraw/zinc/84/71/51/1066847151.db2.gz RHHOQPLNIGIQCU-UHFFFAOYSA-N 0 0 481.651 4.556 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC001492696530 1066847211 /nfs/dbraw/zinc/84/72/11/1066847211.db2.gz PFNHXNVZPKFMFC-QVNIBDNGSA-N 0 0 491.702 4.561 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cn1 ZINC001447724729 1066847709 /nfs/dbraw/zinc/84/77/09/1066847709.db2.gz YTAOCYDYYKWWFZ-DEOSSOPVSA-N 0 0 458.562 4.561 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457514579 1066847681 /nfs/dbraw/zinc/84/76/81/1066847681.db2.gz VXDDRKLBEBPEPP-NEPJUHHUSA-N 0 0 450.720 4.797 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)CC2)cc(OC)c1 ZINC001457514163 1066847753 /nfs/dbraw/zinc/84/77/53/1066847753.db2.gz MNORYLNDHKZWBS-FTJBHMTQSA-N 0 0 450.623 4.958 20 0 JJADRN COc1ccccc1C[C@@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)C(C)C ZINC001457514080 1066847773 /nfs/dbraw/zinc/84/77/73/1066847773.db2.gz MCAGNRSNGZJBGS-LJQANCHMSA-N 0 0 456.384 4.949 20 0 JJADRN C[C@H](NC(=O)COc1ccc(Br)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457514612 1066847794 /nfs/dbraw/zinc/84/77/94/1066847794.db2.gz WGGJVRYOCILMMC-JTQLQIEISA-N 0 0 454.683 4.548 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCc2cccnc2)s1 ZINC001492696741 1066847682 /nfs/dbraw/zinc/84/76/82/1066847682.db2.gz WFNUIKONMZYOER-UHFFFAOYSA-N 0 0 487.402 4.886 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCSCC(C)C)s1 ZINC001492696861 1066848382 /nfs/dbraw/zinc/84/83/82/1066848382.db2.gz ZOAQDFVCHUTDLT-UHFFFAOYSA-N 0 0 483.505 4.837 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)s1 ZINC001492697132 1066848871 /nfs/dbraw/zinc/84/88/71/1066848871.db2.gz JJFDOSXLXKZLMS-GOSISDBHSA-N 0 0 479.507 4.701 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)c(C)c2c1 ZINC001447732217 1066848895 /nfs/dbraw/zinc/84/88/95/1066848895.db2.gz KRUOBRBPPGTCIF-SQHAQQRYSA-N 0 0 451.538 4.906 20 0 JJADRN O=C(NCc1cccs1)c1cc(NC(=O)c2ccc(Br)nc2)ccc1Cl ZINC001457517285 1066848924 /nfs/dbraw/zinc/84/89/24/1066848924.db2.gz KDPVRBKCPIGHEX-UHFFFAOYSA-N 0 0 450.745 4.741 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Br)c(O)c2)cnn1-c1cccc(Br)c1 ZINC001447735651 1066849645 /nfs/dbraw/zinc/84/96/45/1066849645.db2.gz PLICKWZOXPQNBK-UHFFFAOYSA-N 0 0 451.118 4.664 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001492697708 1066849595 /nfs/dbraw/zinc/84/95/95/1066849595.db2.gz BUWWZCRBBYIDAY-GOSISDBHSA-N 0 0 462.664 4.525 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC001447739127 1066850246 /nfs/dbraw/zinc/85/02/46/1066850246.db2.gz WGYHQPSKZCSGPE-SQJMNOBHSA-N 0 0 456.558 4.824 20 0 JJADRN CN1C(=O)CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)c2ccccc21 ZINC001457521008 1066850882 /nfs/dbraw/zinc/85/08/82/1066850882.db2.gz PQRDZETZNLAHJF-JOCHJYFZSA-N 0 0 451.320 4.579 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccsc2Br)s1 ZINC001492698339 1066850938 /nfs/dbraw/zinc/85/09/38/1066850938.db2.gz USBUYNQHEIKUPX-UHFFFAOYSA-N 0 0 475.441 4.538 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)s2)cc1 ZINC001457523071 1066850892 /nfs/dbraw/zinc/85/08/92/1066850892.db2.gz ZAXGJCVUQJPASM-IBGZPJMESA-N 0 0 452.551 4.731 20 0 JJADRN COc1ccc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1OC(F)F ZINC001447745794 1066851658 /nfs/dbraw/zinc/85/16/58/1066851658.db2.gz ZZRQGLGPNPBYBI-UHFFFAOYSA-N 0 0 454.514 4.550 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCC(C)C)s1 ZINC001492698539 1066851817 /nfs/dbraw/zinc/85/18/17/1066851817.db2.gz ATCMZMRWUOPGIA-FQEVSTJZSA-N 0 0 492.690 4.814 20 0 JJADRN CCCCOc1ccc(CNC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1Cl ZINC001447748668 1066852391 /nfs/dbraw/zinc/85/23/91/1066852391.db2.gz APBILRVMBHFBSC-KXBFYZLASA-N 0 0 454.995 4.896 20 0 JJADRN O=C(CCc1nc2ccccc2oc1=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001447752629 1066852943 /nfs/dbraw/zinc/85/29/43/1066852943.db2.gz OVWHFJGTTKFICA-INIZCTEOSA-N 0 0 458.358 4.949 20 0 JJADRN O=C(CCc1nc2ccccc2oc1=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001447752651 1066853025 /nfs/dbraw/zinc/85/30/25/1066853025.db2.gz OVWHFJGTTKFICA-MRXNPFEDSA-N 0 0 458.358 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCNc2nc3ccccc3s2)CC[C@H]2CCCC[C@@H]21 ZINC001457529584 1066853057 /nfs/dbraw/zinc/85/30/57/1066853057.db2.gz IVPKBKAUSRWDRW-NEWSRXKRSA-N 0 0 458.628 4.783 20 0 JJADRN COc1cc(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)ccc1NC(=O)c1cccnc1 ZINC001457533195 1066853586 /nfs/dbraw/zinc/85/35/86/1066853586.db2.gz UPRNWYDCUIIDCG-UHFFFAOYSA-N 0 0 450.804 4.662 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCOC2)s1 ZINC001492698892 1066853610 /nfs/dbraw/zinc/85/36/10/1066853610.db2.gz PRBIZYZGYFAQBT-GOSISDBHSA-N 0 0 476.046 4.689 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cnc(C)s1 ZINC001492699018 1066853637 /nfs/dbraw/zinc/85/36/37/1066853637.db2.gz UQDKIDCTGJTNHP-UHFFFAOYSA-N 0 0 488.411 4.971 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2cccnc2OCc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001447753381 1066853826 /nfs/dbraw/zinc/85/38/26/1066853826.db2.gz CIAHJTKJRDILHI-OAQYLSRUSA-N 0 0 457.546 4.517 20 0 JJADRN CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457534363 1066854286 /nfs/dbraw/zinc/85/42/86/1066854286.db2.gz CHJNWYHBARTXDM-ZEQRLZLVSA-N 0 0 450.604 4.737 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001492699362 1066854849 /nfs/dbraw/zinc/85/48/49/1066854849.db2.gz GGNIJIRDHXKIPB-FUHWJXTLSA-N 0 0 455.628 4.852 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Br)c3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492699757 1066854944 /nfs/dbraw/zinc/85/49/44/1066854944.db2.gz SGESTHHTMGINKG-UHFFFAOYSA-N 0 0 476.444 4.915 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC001447762513 1066854841 /nfs/dbraw/zinc/85/48/41/1066854841.db2.gz LHVVZTQKMMRFMV-IBFADTKTSA-N 0 0 467.404 4.694 20 0 JJADRN Cc1ncc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(Cc2ccco2)C(C)C)s1 ZINC001492699357 1066855019 /nfs/dbraw/zinc/85/50/19/1066855019.db2.gz GFVOMBWLXVRNQZ-UHFFFAOYSA-N 0 0 464.595 4.968 20 0 JJADRN COc1cc(CCC(=O)N=c2ccccn2Cc2ccc(C)cc2)ccc1OCC(F)(F)F ZINC001457538737 1066855226 /nfs/dbraw/zinc/85/52/26/1066855226.db2.gz ZEBDLQJIBLLCMC-UHFFFAOYSA-N 0 0 458.480 4.855 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492700082 1066855642 /nfs/dbraw/zinc/85/56/42/1066855642.db2.gz CSAMBKSZBGOMKK-KRWDZBQOSA-N 0 0 476.444 4.835 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492700256 1066856122 /nfs/dbraw/zinc/85/61/22/1066856122.db2.gz JKKKIPFYKDRHAU-KRWDZBQOSA-N 0 0 486.617 4.733 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOCCC(C)C)CCO1 ZINC001546091849 1066856537 /nfs/dbraw/zinc/85/65/37/1066856537.db2.gz YHBPRIIGDWGFCO-SANMLTNESA-N 0 0 453.631 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2CCOc3ccc(C(F)(F)F)cc32)C1 ZINC001457541611 1066856596 /nfs/dbraw/zinc/85/65/96/1066856596.db2.gz LDDFRFLWZPDBEN-INIZCTEOSA-N 0 0 454.489 4.858 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492700451 1066856719 /nfs/dbraw/zinc/85/67/19/1066856719.db2.gz NLEMKQSHJBQLJY-GOSISDBHSA-N 0 0 452.411 4.926 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C(F)(F)F ZINC001457544583 1066857413 /nfs/dbraw/zinc/85/74/13/1066857413.db2.gz BBLUFWZRPAWNRU-FQEVSTJZSA-N 0 0 453.461 4.627 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001447790309 1066857669 /nfs/dbraw/zinc/85/76/69/1066857669.db2.gz GHOFTJREGFSZJN-XMSQKQJNSA-N 0 0 454.567 4.989 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001447790308 1066857776 /nfs/dbraw/zinc/85/77/76/1066857776.db2.gz GHOFTJREGFSZJN-PGRDOPGGSA-N 0 0 454.567 4.989 20 0 JJADRN CC[C@H](CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)Oc1cccc(Cl)c1 ZINC001457545553 1066857745 /nfs/dbraw/zinc/85/77/45/1066857745.db2.gz IMLRLJCHLNJAHN-RHSMWYFYSA-N 0 0 451.748 4.502 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492701421 1066857858 /nfs/dbraw/zinc/85/78/58/1066857858.db2.gz UKHJTJKANLBDIA-SOLBZPMBSA-N 0 0 492.715 4.536 20 0 JJADRN CCC1(CC)CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)c2ccc(Br)cc21 ZINC001457546699 1066857920 /nfs/dbraw/zinc/85/79/20/1066857920.db2.gz SLSIZIZOSLWRCV-AWEZNQCLSA-N 0 0 456.384 4.944 20 0 JJADRN CN(C(=O)c1ccc(I)cc1N)c1ccc(OCc2ccccc2)cc1 ZINC001447792161 1066858361 /nfs/dbraw/zinc/85/83/61/1066858361.db2.gz QDDLPWMLRSIBBB-UHFFFAOYSA-N 0 0 458.299 4.729 20 0 JJADRN CO[C@]1(C(F)(F)F)CCCN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C1 ZINC001447791753 1066858424 /nfs/dbraw/zinc/85/84/24/1066858424.db2.gz KTZNNIDXXOAVRZ-HXUWFJFHSA-N 0 0 451.470 4.699 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC001492701736 1066858638 /nfs/dbraw/zinc/85/86/38/1066858638.db2.gz DWSFWBHFSDULGY-MSOLQXFVSA-N 0 0 470.609 4.857 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)ns1 ZINC001457551458 1066859188 /nfs/dbraw/zinc/85/91/88/1066859188.db2.gz FXDJADFENOPTPO-UHFFFAOYSA-N 0 0 457.676 4.902 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)c1c[nH]c(=S)[nH]1 ZINC001457552542 1066859291 /nfs/dbraw/zinc/85/92/91/1066859291.db2.gz FKNQPDWSTYJDKC-INIZCTEOSA-N 0 0 453.420 4.596 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001447793977 1066859657 /nfs/dbraw/zinc/85/96/57/1066859657.db2.gz KMOJTTYGMDXAEP-WMZHIEFXSA-N 0 0 452.378 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC001457553197 1066859866 /nfs/dbraw/zinc/85/98/66/1066859866.db2.gz HNPUVMXQBCLPBY-IEBWSBKVSA-N 0 0 481.984 4.789 20 0 JJADRN Cc1ncc(Cn2c(N3CCN([C@@H](C)c4ccc(F)cc4F)CC3)nnc2C(C)(C)C)s1 ZINC001492702092 1066859906 /nfs/dbraw/zinc/85/99/06/1066859906.db2.gz RJKKNCQVTACFBN-HNNXBMFYSA-N 0 0 460.598 4.550 20 0 JJADRN CCn1cc(C(=O)NCc2cccc(COCc3ccco3)c2)c(=O)c2cc(Cl)ccc21 ZINC001457553413 1066859982 /nfs/dbraw/zinc/85/99/82/1066859982.db2.gz INIRIHUILPVUJA-UHFFFAOYSA-N 0 0 450.922 4.915 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NCCc2c(F)cccc2Cl)cc1OCC ZINC001457554424 1066859991 /nfs/dbraw/zinc/85/99/91/1066859991.db2.gz ZHQVFKYPXUSJOZ-UHFFFAOYSA-N 0 0 458.755 4.940 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC001447797831 1066860231 /nfs/dbraw/zinc/86/02/31/1066860231.db2.gz KSDLURBMQPJQAQ-XMSQKQJNSA-N 0 0 458.514 4.755 20 0 JJADRN Cc1ncc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)Cc2ccon2)s1 ZINC001492702649 1066860504 /nfs/dbraw/zinc/86/05/04/1066860504.db2.gz LYQATFKHELPQIM-UHFFFAOYSA-N 0 0 473.002 4.689 20 0 JJADRN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001457558352 1066860539 /nfs/dbraw/zinc/86/05/39/1066860539.db2.gz UYQMMBKEQGJEIO-AWEZNQCLSA-N 0 0 451.792 4.970 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccsc3)nnc2N(C)CCOc2ccccc2Cl)s1 ZINC001492702584 1066860746 /nfs/dbraw/zinc/86/07/46/1066860746.db2.gz JTXREKXSCUAYGE-UHFFFAOYSA-N 0 0 460.028 4.912 20 0 JJADRN COC(=O)CN(CCC(F)(F)F)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC001457563525 1066862105 /nfs/dbraw/zinc/86/21/05/1066862105.db2.gz QBZMKAPATUVGAS-UHFFFAOYSA-N 0 0 459.877 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)ccc21 ZINC001447802620 1066862141 /nfs/dbraw/zinc/86/21/41/1066862141.db2.gz ODGYNPQXMSLGDO-JTSKRJEESA-N 0 0 456.505 4.588 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(Br)o2)cn1 ZINC001492704181 1066862480 /nfs/dbraw/zinc/86/24/80/1066862480.db2.gz TWYVVOUWLDBXGH-UHFFFAOYSA-N 0 0 498.429 4.796 20 0 JJADRN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565294 1066863572 /nfs/dbraw/zinc/86/35/72/1066863572.db2.gz ILMJBRSTYZLDAT-FRRDWIJNSA-N 0 0 459.805 4.634 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(OC(F)(F)F)c(C)c2)cc1 ZINC001457564414 1066863608 /nfs/dbraw/zinc/86/36/08/1066863608.db2.gz LFEMFBUSDAWFIE-INIZCTEOSA-N 0 0 452.473 4.680 20 0 JJADRN C[C@H](CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001447810134 1066863822 /nfs/dbraw/zinc/86/38/22/1066863822.db2.gz UMYUXWMDWDOAHA-FEMWLQECSA-N 0 0 453.464 4.791 20 0 JJADRN Cc1cc(C)c(NC(=O)c2cc(I)c(Cl)cc2Cl)cc1CO ZINC001447811750 1066864333 /nfs/dbraw/zinc/86/43/33/1066864333.db2.gz SLGSTOGHWKLNQT-UHFFFAOYSA-N 0 0 450.103 4.959 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)CNC(=O)c3ccsc3)cc2Cl)n1 ZINC001447811559 1066864379 /nfs/dbraw/zinc/86/43/79/1066864379.db2.gz ILXZPMCYUDNLKG-UHFFFAOYSA-N 0 0 450.973 4.711 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C ZINC001447810188 1066864464 /nfs/dbraw/zinc/86/44/64/1066864464.db2.gz FJJYSJHLGDXEBA-UHFFFAOYSA-N 0 0 454.596 4.817 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 ZINC001457566783 1066864924 /nfs/dbraw/zinc/86/49/24/1066864924.db2.gz OWCHWFWCGKRTTJ-KRWDZBQOSA-N 0 0 457.880 4.679 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(CC)C3)ccc2C)cc1 ZINC001447812807 1066864969 /nfs/dbraw/zinc/86/49/69/1066864969.db2.gz MXYNDLQLLDVTAC-VWLOTQADSA-N 0 0 458.624 4.780 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001492705389 1066865060 /nfs/dbraw/zinc/86/50/60/1066865060.db2.gz DTEYXFXZEYFYOP-KRWDZBQOSA-N 0 0 493.475 4.617 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001457567992 1066865322 /nfs/dbraw/zinc/86/53/22/1066865322.db2.gz QRUFQDWDISJBBC-LJQANCHMSA-N 0 0 451.311 4.905 20 0 JJADRN CN(C)Cc1ccc(NC(=O)CCOc2ccccc2Br)cc1Br ZINC001447820593 1066866225 /nfs/dbraw/zinc/86/62/25/1066866225.db2.gz RAGOMOWBWHVFHS-UHFFFAOYSA-N 0 0 456.178 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC001447836668 1066867111 /nfs/dbraw/zinc/86/71/11/1066867111.db2.gz GOCADMORXHOWCB-QGZVFWFLSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2c(O)cnc3ccc(Cl)cc32)CC1 ZINC001457571314 1066867166 /nfs/dbraw/zinc/86/71/66/1066867166.db2.gz ATOYOUOOUQKXLR-LJQANCHMSA-N 0 0 459.974 4.846 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)Nc2n[nH]c(COC)c2-c2ccc(Cl)cc2)cc1 ZINC001457573949 1066868471 /nfs/dbraw/zinc/86/84/71/1066868471.db2.gz JQLMRUVPHPNHQL-UHFFFAOYSA-N 0 0 455.946 4.589 20 0 JJADRN C[C@@H](OC(=O)c1cnn(-c2ccccc2)c1Br)c1c(F)cccc1-n1cccn1 ZINC001457575173 1066868478 /nfs/dbraw/zinc/86/84/78/1066868478.db2.gz JXWRCHWUEQARBO-CQSZACIVSA-N 0 0 455.287 4.878 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2nc3cc(Cl)ccc3n2C)[C@@H]1c1ccc(OC)cc1 ZINC001457575490 1066868974 /nfs/dbraw/zinc/86/89/74/1066868974.db2.gz LGXBYYINFFQCFX-AVRDEDQJSA-N 0 0 454.958 4.564 20 0 JJADRN COC(=O)Cc1cccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 ZINC001457576694 1066869091 /nfs/dbraw/zinc/86/90/91/1066869091.db2.gz KJCCDTOZXVTHKV-UHFFFAOYSA-N 0 0 451.367 4.531 20 0 JJADRN O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001457576520 1066869100 /nfs/dbraw/zinc/86/91/00/1066869100.db2.gz UASDKMWSIZEHMW-UHFFFAOYSA-N 0 0 458.971 4.547 20 0 JJADRN Cc1nccn1CCCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001492706657 1066869251 /nfs/dbraw/zinc/86/92/51/1066869251.db2.gz VSPXVPCSGLSEKL-NRFANRHFSA-N 0 0 475.012 4.931 20 0 JJADRN Cc1ccc(CNC(=O)c2cnnn2-c2ccccc2Br)c(OCCC(C)C)c1 ZINC001457578734 1066869789 /nfs/dbraw/zinc/86/97/89/1066869789.db2.gz WPCIEKLHUXWCJY-UHFFFAOYSA-N 0 0 457.372 4.693 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cccc(Nc2nccc(C)n2)c1)c1ccc(Cl)c(Cl)c1 ZINC001447850096 1066869825 /nfs/dbraw/zinc/86/98/25/1066869825.db2.gz AYSOJFGGQQORAE-QFIPXVFZSA-N 0 0 459.333 4.654 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 ZINC001492707161 1066870107 /nfs/dbraw/zinc/87/01/07/1066870107.db2.gz MWTJHOKRFCZEIN-PPDQVPDSSA-N 0 0 460.985 4.851 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@@H](c4ccc(F)c(Br)c4)C3)c2)cs1 ZINC001447858285 1066870155 /nfs/dbraw/zinc/87/01/55/1066870155.db2.gz NCVHXIFYFPMLTD-GOSISDBHSA-N 0 0 450.333 4.562 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC001447859608 1066870234 /nfs/dbraw/zinc/87/02/34/1066870234.db2.gz OSUADKVHYQJDMR-KBXCAEBGSA-N 0 0 455.393 4.672 20 0 JJADRN O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001447854504 1066870289 /nfs/dbraw/zinc/87/02/89/1066870289.db2.gz FTRZAUITDBRNDO-NRFANRHFSA-N 0 0 457.299 4.989 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC001447859610 1066870322 /nfs/dbraw/zinc/87/03/22/1066870322.db2.gz OSUADKVHYQJDMR-KSSFIOAISA-N 0 0 455.393 4.672 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(Cl)cc1I)C(C)(C)C ZINC001457578805 1066870220 /nfs/dbraw/zinc/87/02/20/1066870220.db2.gz XZISMPMXTPZBSD-CYBMUJFWSA-N 0 0 451.732 4.887 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC001447861527 1066870828 /nfs/dbraw/zinc/87/08/28/1066870828.db2.gz BUMGSHMVNVJUSE-HNNXBMFYSA-N 0 0 458.340 4.574 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001447862148 1066870928 /nfs/dbraw/zinc/87/09/28/1066870928.db2.gz DIRIDAOUOXUZEK-UHFFFAOYSA-N 0 0 452.595 4.668 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492707533 1066871567 /nfs/dbraw/zinc/87/15/67/1066871567.db2.gz YUQQMSRIVBRGOM-GOSISDBHSA-N 0 0 470.593 4.546 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001457585402 1066872089 /nfs/dbraw/zinc/87/20/89/1066872089.db2.gz RMFHIDFQVPJRNT-QGTPRVQTSA-N 0 0 459.978 4.879 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C ZINC001492708716 1066872259 /nfs/dbraw/zinc/87/22/59/1066872259.db2.gz JUGQGCPZVRXJOQ-UHFFFAOYSA-N 0 0 473.419 4.594 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001457586824 1066872348 /nfs/dbraw/zinc/87/23/48/1066872348.db2.gz ZAWWZTLAZNNTAE-IBGZPJMESA-N 0 0 455.382 4.917 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001492708735 1066872524 /nfs/dbraw/zinc/87/25/24/1066872524.db2.gz KLGSNWWGEUZQBX-IBGZPJMESA-N 0 0 468.671 4.692 20 0 JJADRN Cc1nccn1CCCn1c(CCCc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492708940 1066873011 /nfs/dbraw/zinc/87/30/11/1066873011.db2.gz QQTMEQKZJUQKRS-MHZLTWQESA-N 0 0 464.658 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C(C)(C)C1 ZINC001447888481 1066873185 /nfs/dbraw/zinc/87/31/85/1066873185.db2.gz BUAMCQAVDABRHT-NSHDSACASA-N 0 0 454.955 4.829 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)cc1 ZINC001447876334 1066873241 /nfs/dbraw/zinc/87/32/41/1066873241.db2.gz ZQHYOGAMTNUSNZ-MRXNPFEDSA-N 0 0 455.605 4.557 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546001088 1066873495 /nfs/dbraw/zinc/87/34/95/1066873495.db2.gz GYHNENYYXDCZSQ-BBTUJRGHSA-N 0 0 455.603 4.591 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492709258 1066873668 /nfs/dbraw/zinc/87/36/68/1066873668.db2.gz CVEIOMDLCQTLOS-RTWAWAEBSA-N 0 0 485.677 4.818 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001447896590 1066874116 /nfs/dbraw/zinc/87/41/16/1066874116.db2.gz QEVCGGGNCNYCEJ-MHZLTWQESA-N 0 0 450.579 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC001447892115 1066874138 /nfs/dbraw/zinc/87/41/38/1066874138.db2.gz ISBPNPZVHCXXOC-FQEVSTJZSA-N 0 0 454.955 4.973 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492710085 1066874481 /nfs/dbraw/zinc/87/44/81/1066874481.db2.gz CMCDKUOLHSRPLY-GOSISDBHSA-N 0 0 455.404 4.705 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492710198 1066875166 /nfs/dbraw/zinc/87/51/66/1066875166.db2.gz HGTOPHVMVXGOHB-QFIPXVFZSA-N 0 0 493.656 4.551 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(c2ccccc2Br)CC1 ZINC001447907336 1066875467 /nfs/dbraw/zinc/87/54/67/1066875467.db2.gz VVSYIHBVOPJHFT-UHFFFAOYSA-N 0 0 454.162 4.640 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447908743 1066875525 /nfs/dbraw/zinc/87/55/25/1066875525.db2.gz VXASDPUJTGNPQZ-GTNSWQLSSA-N 0 0 459.732 4.504 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492710564 1066875864 /nfs/dbraw/zinc/87/58/64/1066875864.db2.gz UNLMDPQKHDBXEZ-ZIAGYGMSSA-N 0 0 451.427 4.787 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492710505 1066875872 /nfs/dbraw/zinc/87/58/72/1066875872.db2.gz RHRCVXZFCJGEND-FQEVSTJZSA-N 0 0 466.630 4.579 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N(Cc1ccccc1)C1CC1)NC(=O)OC(C)(C)C ZINC001546001260 1066875921 /nfs/dbraw/zinc/87/59/21/1066875921.db2.gz JZIFKVPSPHHBPP-JOCHJYFZSA-N 0 0 476.625 4.736 20 0 JJADRN COC(=O)[C@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C1CCCCC1 ZINC001457603136 1066875999 /nfs/dbraw/zinc/87/59/99/1066875999.db2.gz ATFDPAARHGUONM-GOSISDBHSA-N 0 0 459.593 4.737 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1 ZINC001457607029 1066876595 /nfs/dbraw/zinc/87/65/95/1066876595.db2.gz CFGDRTXVVRHUNJ-UHFFFAOYSA-N 0 0 455.461 4.702 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3cc(-c4ccccc4F)no3)CC2=O)ccc1Br ZINC001457606465 1066876794 /nfs/dbraw/zinc/87/67/94/1066876794.db2.gz JYTWZXIBWBDMHV-ZDUSSCGKSA-N 0 0 458.287 4.543 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492711693 1066876962 /nfs/dbraw/zinc/87/69/62/1066876962.db2.gz BXLNTYUWTOYCOK-HSZRJFAPSA-N 0 0 480.657 4.611 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447918652 1066876927 /nfs/dbraw/zinc/87/69/27/1066876927.db2.gz LBGUQLDVDBYMGJ-OAQYLSRUSA-N 0 0 455.913 4.891 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492710719 1066877154 /nfs/dbraw/zinc/87/71/54/1066877154.db2.gz ZUWCKDXMVONYDE-QHCPKHFHSA-N 0 0 460.985 4.584 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1=O ZINC001457608727 1066877246 /nfs/dbraw/zinc/87/72/46/1066877246.db2.gz BIMLTVZUORJIEQ-CQSZACIVSA-N 0 0 454.983 4.786 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(Br)ccc1O)C1CCCCCC1 ZINC001447928143 1066877367 /nfs/dbraw/zinc/87/73/67/1066877367.db2.gz VIFZPDXCBKCYQK-AWEZNQCLSA-N 0 0 456.381 4.600 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1=O ZINC001457608721 1066877480 /nfs/dbraw/zinc/87/74/80/1066877480.db2.gz BIMLTVZUORJIEQ-AWEZNQCLSA-N 0 0 454.983 4.786 20 0 JJADRN CN(CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2F)no1)C(=O)OC(C)(C)C ZINC001457610049 1066877489 /nfs/dbraw/zinc/87/74/89/1066877489.db2.gz FIBBWSUREXTCLO-UHFFFAOYSA-N 0 0 455.486 4.979 20 0 JJADRN Cc1nccn1CCn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492712121 1066877724 /nfs/dbraw/zinc/87/77/24/1066877724.db2.gz SPKKAJGVJSRYIS-UHFFFAOYSA-N 0 0 485.455 4.729 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 ZINC001447938781 1066878803 /nfs/dbraw/zinc/87/88/03/1066878803.db2.gz DUPMYVCYOIZMRJ-DOTOQJQBSA-N 0 0 452.363 4.760 20 0 JJADRN CN(C(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447940756 1066879400 /nfs/dbraw/zinc/87/94/00/1066879400.db2.gz IUNFYOYFXDBLDH-WYTZPYIFSA-N 0 0 452.334 4.672 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Cn2cccc2)cc1 ZINC001447940912 1066879430 /nfs/dbraw/zinc/87/94/30/1066879430.db2.gz RGIUKAKQIKITJJ-UHFFFAOYSA-N 0 0 455.480 4.590 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC(F)F ZINC001492713595 1066879632 /nfs/dbraw/zinc/87/96/32/1066879632.db2.gz ORIWJHXCGODWEN-UHFFFAOYSA-N 0 0 485.764 4.794 20 0 JJADRN Cc1nccnc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001492713475 1066879720 /nfs/dbraw/zinc/87/97/20/1066879720.db2.gz KXVUFPOYKRTKHR-HNNXBMFYSA-N 0 0 486.443 4.646 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457615223 1066879832 /nfs/dbraw/zinc/87/98/32/1066879832.db2.gz NENNXDWMROEUNS-GUYCJALGSA-N 0 0 453.324 4.605 20 0 JJADRN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447945763 1066879889 /nfs/dbraw/zinc/87/98/89/1066879889.db2.gz MXZHKGNLBVPSCV-MDASCCDHSA-N 0 0 455.179 4.902 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001447945556 1066879981 /nfs/dbraw/zinc/87/99/81/1066879981.db2.gz NYAAMWIGFGBVHW-HNNXBMFYSA-N 0 0 452.339 4.502 20 0 JJADRN CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1 ZINC001447946819 1066880015 /nfs/dbraw/zinc/88/00/15/1066880015.db2.gz OPBWVYDOTQBJNY-UHFFFAOYSA-N 0 0 458.580 4.728 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492713862 1066880276 /nfs/dbraw/zinc/88/02/76/1066880276.db2.gz YGHFVKCSPBVHOZ-XMMPIXPASA-N 0 0 455.006 4.581 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC001457617091 1066880239 /nfs/dbraw/zinc/88/02/39/1066880239.db2.gz XWNWJEHMSXEWOL-UHFFFAOYSA-N 0 0 452.511 4.773 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)Sc4ccccc43)CC2)c(C)c1 ZINC001457618416 1066880913 /nfs/dbraw/zinc/88/09/13/1066880913.db2.gz LJIIJYQYWDJVTR-LJQANCHMSA-N 0 0 458.649 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001447954401 1066881331 /nfs/dbraw/zinc/88/13/31/1066881331.db2.gz CREYSOYCDMTKJL-RTWAWAEBSA-N 0 0 454.567 4.597 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492714565 1066881431 /nfs/dbraw/zinc/88/14/31/1066881431.db2.gz NKAHFNJEXVDJCN-LJQANCHMSA-N 0 0 455.006 4.724 20 0 JJADRN Cc1nccnc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001492714752 1066881460 /nfs/dbraw/zinc/88/14/60/1066881460.db2.gz QGORBWWUDMIDII-FCEUIQTBSA-N 0 0 491.640 4.587 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492714364 1066881521 /nfs/dbraw/zinc/88/15/21/1066881521.db2.gz HWNPPSPOQRJKDI-IYBDPMFKSA-N 0 0 475.424 4.987 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001447956097 1066881638 /nfs/dbraw/zinc/88/16/38/1066881638.db2.gz HQOKPDZGGLIXMA-RTWAWAEBSA-N 0 0 451.567 4.529 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)OC ZINC001546001519 1066881760 /nfs/dbraw/zinc/88/17/60/1066881760.db2.gz OMBZRPMUUAKUSJ-MRXNPFEDSA-N 0 0 471.524 4.853 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001492716558 1066881966 /nfs/dbraw/zinc/88/19/66/1066881966.db2.gz OXLGJBAAEXFYTJ-UHFFFAOYSA-N 0 0 464.536 4.515 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c(F)ccc(Br)c1F ZINC001457620792 1066882113 /nfs/dbraw/zinc/88/21/13/1066882113.db2.gz DYLXYPQFXYQKHG-QMMMGPOBSA-N 0 0 451.080 4.990 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC001457621173 1066882188 /nfs/dbraw/zinc/88/21/88/1066882188.db2.gz UPYYOAMOVQIUQT-QFIPXVFZSA-N 0 0 458.942 4.542 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)OC(C)(C)C ZINC001457620414 1066882276 /nfs/dbraw/zinc/88/22/76/1066882276.db2.gz RDUGYXMCKAQJFK-QHCPKHFHSA-N 0 0 450.535 4.710 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1ccc(Nc2nc(C)cs2)cc1)C(F)(F)F ZINC001457621362 1066882750 /nfs/dbraw/zinc/88/27/50/1066882750.db2.gz QJKLJJMKPOFSPV-HXUWFJFHSA-N 0 0 450.486 4.949 20 0 JJADRN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001447958978 1066882735 /nfs/dbraw/zinc/88/27/35/1066882735.db2.gz OSVUXKHVUGOFQL-SJORKVTESA-N 0 0 457.596 4.590 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCSC1 ZINC001492717076 1066883087 /nfs/dbraw/zinc/88/30/87/1066883087.db2.gz IHHRQSGWYGXTDO-KRWDZBQOSA-N 0 0 476.597 4.676 20 0 JJADRN O=C(NCCc1ccc(-c2ccccc2)cc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001457622681 1066883230 /nfs/dbraw/zinc/88/32/30/1066883230.db2.gz JZKJZZLPVPJLNS-QHCPKHFHSA-N 0 0 450.991 4.881 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)nn1 ZINC001447961920 1066883275 /nfs/dbraw/zinc/88/32/75/1066883275.db2.gz GARMBSBWZOZUTD-UHFFFAOYSA-N 0 0 458.484 4.780 20 0 JJADRN CN(CC1(CO)CC1)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001447964113 1066883830 /nfs/dbraw/zinc/88/38/30/1066883830.db2.gz GJABWEPZUAYZOI-UHFFFAOYSA-N 0 0 457.646 4.800 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCCCC1 ZINC001492717256 1066883919 /nfs/dbraw/zinc/88/39/19/1066883919.db2.gz OTEUHICOSGXYNL-UHFFFAOYSA-N 0 0 460.424 4.603 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001447964085 1066883972 /nfs/dbraw/zinc/88/39/72/1066883972.db2.gz BOULICMZQSRZMY-HKUYNNGSSA-N 0 0 453.421 4.922 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001457627556 1066885038 /nfs/dbraw/zinc/88/50/38/1066885038.db2.gz YLPIZANEGQIYOC-RWBZWWBESA-N 0 0 453.396 4.501 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492717801 1066885252 /nfs/dbraw/zinc/88/52/52/1066885252.db2.gz WMRJAGKSXVSGKN-QRWLVFNGSA-N 0 0 495.603 4.952 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc(OC)c1OC ZINC001447972497 1066885368 /nfs/dbraw/zinc/88/53/68/1066885368.db2.gz LZMHBOVRPVLRJG-VSKRKVRLSA-N 0 0 451.563 4.860 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001447971502 1066885612 /nfs/dbraw/zinc/88/56/12/1066885612.db2.gz LOUVZBAWNJYXOF-KCZVDYSFSA-N 0 0 452.599 4.885 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@@H](Oc3cccc(Cl)c3Cl)c3ccccc3)CC2)n[nH]1 ZINC001447971104 1066885702 /nfs/dbraw/zinc/88/57/02/1066885702.db2.gz XSMQCJCLGIEHSW-QFIPXVFZSA-N 0 0 459.377 4.930 20 0 JJADRN Cc1nc([C@H]2CCCN2C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)cs1 ZINC001447975864 1066886396 /nfs/dbraw/zinc/88/63/96/1066886396.db2.gz WCKFETWNMGTEJE-OAHLLOKOSA-N 0 0 452.761 4.686 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCOc2ccccc2)n1CCc1ccc(Cl)s1 ZINC001492718338 1066886734 /nfs/dbraw/zinc/88/67/34/1066886734.db2.gz BIQVCIUZZBMPGK-UHFFFAOYSA-N 0 0 485.057 4.844 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](COC)C1)Oc1ccccc1F ZINC001546001892 1066886914 /nfs/dbraw/zinc/88/69/14/1066886914.db2.gz WBVLJVOTGWJKJX-FCHUYYIVSA-N 0 0 467.589 4.514 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001546001887 1066886964 /nfs/dbraw/zinc/88/69/64/1066886964.db2.gz VYOBTBOTNXWICU-XMMPIXPASA-N 0 0 490.652 4.762 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCSC1 ZINC001492718684 1066887358 /nfs/dbraw/zinc/88/73/58/1066887358.db2.gz OLOSDJCQQVPNHI-FQEVSTJZSA-N 0 0 482.698 4.894 20 0 JJADRN O=C(c1n[nH]c2c1CCCCC2)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447978659 1066887444 /nfs/dbraw/zinc/88/74/44/1066887444.db2.gz BSGNLNKRHVPDJR-QFIPXVFZSA-N 0 0 455.505 4.656 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)cc2C1 ZINC001457632057 1066887520 /nfs/dbraw/zinc/88/75/20/1066887520.db2.gz LUGAIMKJFNRPNP-LLVKDONJSA-N 0 0 459.369 4.835 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N(C)Cc1ccc(OCC(=O)OC)cc1 ZINC001447978563 1066887546 /nfs/dbraw/zinc/88/75/46/1066887546.db2.gz IUMWIWMNCWPWRA-UHFFFAOYSA-N 0 0 454.592 4.856 20 0 JJADRN O=C(c1ccc2[nH]c(=O)oc2c1)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447979864 1066887565 /nfs/dbraw/zinc/88/75/65/1066887565.db2.gz FIFDMPSAOAHQSP-FQEVSTJZSA-N 0 0 454.429 4.511 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001492718732 1066887972 /nfs/dbraw/zinc/88/79/72/1066887972.db2.gz QDJXAWWPYWOZGX-JYFHCDHNSA-N 0 0 464.658 4.501 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492718905 1066888402 /nfs/dbraw/zinc/88/84/02/1066888402.db2.gz WABJEOUCCULQDS-FDDCHVKYSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001447995482 1066888636 /nfs/dbraw/zinc/88/86/36/1066888636.db2.gz ZEKOMZLMHIEWKQ-HNNXBMFYSA-N 0 0 456.391 4.633 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001492719646 1066888767 /nfs/dbraw/zinc/88/87/67/1066888767.db2.gz RJRCFGUXKFGACS-APWZRJJASA-N 0 0 450.631 4.786 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1Cc1ccccc1OC(F)(F)F ZINC001492719631 1066888871 /nfs/dbraw/zinc/88/88/71/1066888871.db2.gz QXEQBLWPWURWFY-UHFFFAOYSA-N 0 0 462.520 4.869 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001492719647 1066888943 /nfs/dbraw/zinc/88/89/43/1066888943.db2.gz RJRCFGUXKFGACS-LPHOPBHVSA-N 0 0 450.631 4.786 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(C)C)CC1 ZINC001492719756 1066889384 /nfs/dbraw/zinc/88/93/84/1066889384.db2.gz VDFRRTKDIQIZOU-UHFFFAOYSA-N 0 0 499.704 4.816 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc4ncsc4c3)cc2)cc1 ZINC001448003284 1066889411 /nfs/dbraw/zinc/88/94/11/1066889411.db2.gz DQDXIGCAJUNGFV-INIZCTEOSA-N 0 0 451.573 4.897 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(C)CC1 ZINC001492720207 1066889502 /nfs/dbraw/zinc/88/95/02/1066889502.db2.gz HSLOTBBFYQNPLE-FQEVSTJZSA-N 0 0 471.650 4.527 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 ZINC001457641137 1066889589 /nfs/dbraw/zinc/88/95/89/1066889589.db2.gz ZALVOMAESQTCNQ-FQEVSTJZSA-N 0 0 450.970 4.991 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001457640766 1066889746 /nfs/dbraw/zinc/88/97/46/1066889746.db2.gz UFNNSWAONMLLCG-UGKGYDQZSA-N 0 0 453.311 4.920 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(NCC2CC2)nc1 ZINC001448005929 1066889945 /nfs/dbraw/zinc/88/99/45/1066889945.db2.gz RIHOYNIMFCJVRZ-OAQYLSRUSA-N 0 0 451.368 4.775 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492720465 1066889918 /nfs/dbraw/zinc/88/99/18/1066889918.db2.gz PNAIILYRJQAPLN-BXWFABGCSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492720408 1066890076 /nfs/dbraw/zinc/89/00/76/1066890076.db2.gz OAQQTCZUKQPQFL-QFBILLFUSA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H]1C ZINC001492720529 1066890563 /nfs/dbraw/zinc/89/05/63/1066890563.db2.gz RFFFZGDJACNAPP-VQIMIIECSA-N 0 0 457.022 4.933 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)OCc1ccccc1 ZINC001448021218 1066891050 /nfs/dbraw/zinc/89/10/50/1066891050.db2.gz GHCKYNBGIKHCLZ-QHCPKHFHSA-N 0 0 452.457 4.927 20 0 JJADRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1nc(Br)ccc1Br ZINC001457654613 1066891043 /nfs/dbraw/zinc/89/10/43/1066891043.db2.gz BCSHGANUTCGXRO-UHFFFAOYSA-N 0 0 455.131 4.688 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492720895 1066891448 /nfs/dbraw/zinc/89/14/48/1066891448.db2.gz FBQVIURNKKYEPV-CYBMUJFWSA-N 0 0 474.009 4.833 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N(C)C1CCCCC1 ZINC001492720992 1066891575 /nfs/dbraw/zinc/89/15/75/1066891575.db2.gz HXUNXYMVMDCGII-UHFFFAOYSA-N 0 0 457.420 4.875 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492720910 1066891602 /nfs/dbraw/zinc/89/16/02/1066891602.db2.gz FPMOCPXFJGJTOH-FQEVSTJZSA-N 0 0 489.487 4.684 20 0 JJADRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001457661125 1066892128 /nfs/dbraw/zinc/89/21/28/1066892128.db2.gz XIFMGCRQZNGNCJ-UHFFFAOYSA-N 0 0 450.541 4.742 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC001448028975 1066892071 /nfs/dbraw/zinc/89/20/71/1066892071.db2.gz OMXFLWUTHSRCSN-SQJMNOBHSA-N 0 0 456.970 4.954 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001492721086 1066892201 /nfs/dbraw/zinc/89/22/01/1066892201.db2.gz LLZKWHLEFSGOKC-KBPBESRZSA-N 0 0 475.410 4.728 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 ZINC001492721077 1066892217 /nfs/dbraw/zinc/89/22/17/1066892217.db2.gz KZNYWCTXMXPNPB-LBPRGKRZSA-N 0 0 451.427 4.592 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)cc1Br ZINC001448025807 1066892304 /nfs/dbraw/zinc/89/23/04/1066892304.db2.gz TTYJJIVEPSLQTH-OAHLLOKOSA-N 0 0 451.361 4.564 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)CC1 ZINC001457662834 1066892613 /nfs/dbraw/zinc/89/26/13/1066892613.db2.gz MNBDDVFGLDGGSE-VWLOTQADSA-N 0 0 455.643 4.703 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@H](COc3c(C)cccc3C)c3ccccc3)CC2=O)cc1 ZINC001457662547 1066892689 /nfs/dbraw/zinc/89/26/89/1066892689.db2.gz LQEADIPYIAEQIX-RCZVLFRGSA-N 0 0 458.558 4.601 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492721275 1066892768 /nfs/dbraw/zinc/89/27/68/1066892768.db2.gz RQHURTGSCNNRBF-KZULUSFZSA-N 0 0 452.912 4.632 20 0 JJADRN Cc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)c(OCC(F)(F)F)c1 ZINC001457663430 1066892780 /nfs/dbraw/zinc/89/27/80/1066892780.db2.gz OZEKKYBEDVBIED-UHFFFAOYSA-N 0 0 456.505 4.780 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3(Cc4cccc(F)c4)CCC3)cc2)cc1 ZINC001448030359 1066892844 /nfs/dbraw/zinc/89/28/44/1066892844.db2.gz UTVQSSYRAGSLMU-UHFFFAOYSA-N 0 0 452.551 4.830 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)CC2 ZINC001448031358 1066892884 /nfs/dbraw/zinc/89/28/84/1066892884.db2.gz PNFPEBONYLDSDV-QGZVFWFLSA-N 0 0 459.587 4.816 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1Cc3c(cccc3C)N1C(=O)OC(C)(C)C)CCO2 ZINC001448033241 1066892954 /nfs/dbraw/zinc/89/29/54/1066892954.db2.gz XAAGEPWKMSOPSP-IRLDBZIGSA-N 0 0 452.551 4.700 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492722147 1066893175 /nfs/dbraw/zinc/89/31/75/1066893175.db2.gz STYSGBGXVSQKGA-UHFFFAOYSA-N 0 0 459.436 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC(C)C)C1CC1 ZINC001492721908 1066893186 /nfs/dbraw/zinc/89/31/86/1066893186.db2.gz MWPYDTHXLOSNNW-UHFFFAOYSA-N 0 0 499.704 4.806 20 0 JJADRN Cc1ccc(CNC(=O)c2cnc3ncc(Br)cc3c2)c(OCC(F)(F)F)c1 ZINC001457664808 1066893202 /nfs/dbraw/zinc/89/32/02/1066893202.db2.gz VQQNOBVQJSANMF-UHFFFAOYSA-N 0 0 454.246 4.572 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001492722374 1066893412 /nfs/dbraw/zinc/89/34/12/1066893412.db2.gz ADLIYANJTROGQI-UHFFFAOYSA-N 0 0 464.511 4.575 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)OC(C)C ZINC001448048887 1066893512 /nfs/dbraw/zinc/89/35/12/1066893512.db2.gz IMSIFRZBHFVYEM-DHIUTWEWSA-N 0 0 456.583 4.852 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccn(CCC(C)C)n2)c1 ZINC001457666844 1066893854 /nfs/dbraw/zinc/89/38/54/1066893854.db2.gz SKBMMBQONFBSBZ-UHFFFAOYSA-N 0 0 452.580 4.921 20 0 JJADRN C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457669140 1066893946 /nfs/dbraw/zinc/89/39/46/1066893946.db2.gz OGYSRQVXGSFKKV-VHKYSDTDSA-N 0 0 473.392 4.907 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)OC1CCCC1 ZINC001492722746 1066893909 /nfs/dbraw/zinc/89/39/09/1066893909.db2.gz NUUOLIVKKNEMGW-UHFFFAOYSA-N 0 0 479.412 4.873 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001448050172 1066893948 /nfs/dbraw/zinc/89/39/48/1066893948.db2.gz PTDAIQFOUDGGDN-XJUOHMSHSA-N 0 0 468.594 4.514 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC001457669991 1066894393 /nfs/dbraw/zinc/89/43/93/1066894393.db2.gz HVOAVUDKSZOWSM-HNNXBMFYSA-N 0 0 454.368 4.589 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001492723410 1066894419 /nfs/dbraw/zinc/89/44/19/1066894419.db2.gz MVBAZSXIKWYESV-UHFFFAOYSA-N 0 0 499.748 4.523 20 0 JJADRN CC[C@@]1(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CCCN1C(=O)OC(C)(C)C ZINC001448056668 1066894506 /nfs/dbraw/zinc/89/45/06/1066894506.db2.gz SAOZWPHWKNIGGA-NRFANRHFSA-N 0 0 450.992 4.901 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001448055298 1066894613 /nfs/dbraw/zinc/89/46/13/1066894613.db2.gz WSNYYZSQHGOXCJ-XPWALMASSA-N 0 0 452.595 4.623 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC001448055658 1066894678 /nfs/dbraw/zinc/89/46/78/1066894678.db2.gz RPXVGXDSGVILNT-UHFFFAOYSA-N 0 0 453.219 4.549 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)Cc2ccccn2)n(C)n1 ZINC001492724017 1066894896 /nfs/dbraw/zinc/89/48/96/1066894896.db2.gz ISRQDNNXSZCBED-LJQANCHMSA-N 0 0 480.016 4.810 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)C2CCCCC2)n(C)n1 ZINC001492724323 1066894993 /nfs/dbraw/zinc/89/49/93/1066894993.db2.gz QYCQIMOAJKPJOE-INIZCTEOSA-N 0 0 474.451 4.541 20 0 JJADRN CC(=O)SCCCCCCNC(=O)c1c(Cl)ccc(I)c1F ZINC001448061950 1066895231 /nfs/dbraw/zinc/89/52/31/1066895231.db2.gz OBVWFIJNPCDAFM-UHFFFAOYSA-N 0 0 457.736 4.654 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@@H]2C(C)C)n(C)n1 ZINC001492724965 1066895862 /nfs/dbraw/zinc/89/58/62/1066895862.db2.gz NOCLWKNADITHAC-LJQANCHMSA-N 0 0 461.383 4.562 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@H](C)c2ccco2)n(C)n1 ZINC001492725101 1066895987 /nfs/dbraw/zinc/89/59/87/1066895987.db2.gz SBRWASZYVYRSBE-CQSZACIVSA-N 0 0 473.350 4.727 20 0 JJADRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001448070578 1066896296 /nfs/dbraw/zinc/89/62/96/1066896296.db2.gz HIAUYJJXEIOVJY-CQSZACIVSA-N 0 0 453.593 4.973 20 0 JJADRN O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001448071598 1066896304 /nfs/dbraw/zinc/89/63/04/1066896304.db2.gz TXADWBDHSFCYHT-DEOSSOPVSA-N 0 0 455.476 4.820 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2C[C@H](C)CC[C@H]2C)n(C)n1 ZINC001492725760 1066896408 /nfs/dbraw/zinc/89/64/08/1066896408.db2.gz SEZWNHOBZMXCPP-YLJYHZDGSA-N 0 0 471.049 4.967 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001448072635 1066897040 /nfs/dbraw/zinc/89/70/40/1066897040.db2.gz IQQQFTDZODTPAS-GOSISDBHSA-N 0 0 454.995 4.903 20 0 JJADRN C[C@H](CNc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001457684280 1066897032 /nfs/dbraw/zinc/89/70/32/1066897032.db2.gz SEUGKDUWWOWIEL-YHYVQYDKSA-N 0 0 458.002 4.907 20 0 JJADRN C[C@@H](CNc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001457685405 1066897251 /nfs/dbraw/zinc/89/72/51/1066897251.db2.gz WMTBCEMQVQHDKC-INIZCTEOSA-N 0 0 452.352 4.932 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCN1CSCCSC1 ZINC001448074568 1066897561 /nfs/dbraw/zinc/89/75/61/1066897561.db2.gz HTCNIZKPOIQFJX-IBGZPJMESA-N 0 0 451.658 4.614 20 0 JJADRN Cn1cc(CCNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c2ccc(F)cc21 ZINC001448075726 1066897668 /nfs/dbraw/zinc/89/76/68/1066897668.db2.gz KGGICRLUNFQDOV-UHFFFAOYSA-N 0 0 457.431 4.842 20 0 JJADRN CN(C(=O)CCSc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448074642 1066897684 /nfs/dbraw/zinc/89/76/84/1066897684.db2.gz NAVDTHMWGNHKHO-KRWDZBQOSA-N 0 0 457.434 4.693 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC[C@](C)(O)c3ccccc3)C2)n1 ZINC001492728360 1066897577 /nfs/dbraw/zinc/89/75/77/1066897577.db2.gz BHDYDXPKMJANSX-GJZUVCINSA-N 0 0 450.631 4.528 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(C(C)C)nnc3N(C)[C@H](C)CCc3ccc(O)cc3)cn2)n1 ZINC001492727923 1066897617 /nfs/dbraw/zinc/89/76/17/1066897617.db2.gz MHTDULDRFBUEQN-HXUWFJFHSA-N 0 0 473.625 4.810 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC001457687679 1066897673 /nfs/dbraw/zinc/89/76/73/1066897673.db2.gz MBXKYBRWAHRIAD-HXUWFJFHSA-N 0 0 456.468 4.758 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](Oc1ccccc1)C(C)(C)O ZINC001448078813 1066898074 /nfs/dbraw/zinc/89/80/74/1066898074.db2.gz RRJWGQNVDQOWJC-FGZHOGPDSA-N 0 0 454.567 4.746 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H](OCC3CC3)C2)CC1 ZINC001448080699 1066898113 /nfs/dbraw/zinc/89/81/13/1066898113.db2.gz PBHALBLTMLPJHP-VEYUFSJPSA-N 0 0 454.655 4.594 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(Cl)cc3)C2)n1 ZINC001492728676 1066898108 /nfs/dbraw/zinc/89/81/08/1066898108.db2.gz JADHXGWXHMJXMA-OXQOHEQNSA-N 0 0 472.037 4.746 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)n1 ZINC001492728659 1066898166 /nfs/dbraw/zinc/89/81/66/1066898166.db2.gz IUKZMPJTUNGYSB-UHFFFAOYSA-N 0 0 474.657 4.704 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3cccc(COC(C)(C)C)c3)C2)n1 ZINC001492728524 1066898230 /nfs/dbraw/zinc/89/82/30/1066898230.db2.gz FZZDJSBCOZSUBH-HSZRJFAPSA-N 0 0 465.646 4.815 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c2ccccc2N1 ZINC001457690421 1066898402 /nfs/dbraw/zinc/89/84/02/1066898402.db2.gz IHJPETJEWQAFCJ-HXUWFJFHSA-N 0 0 454.571 4.886 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001448092001 1066899010 /nfs/dbraw/zinc/89/90/10/1066899010.db2.gz GNAKQMDOCAHKKL-RXFWQSSRSA-N 0 0 455.599 4.788 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C)n3Cc3cc(Cl)ccc3OC(F)F)C2)n1 ZINC001492729504 1066899292 /nfs/dbraw/zinc/89/92/92/1066899292.db2.gz DQDHOAWOMMSKPL-SFHVURJKSA-N 0 0 450.921 4.544 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCCC(C)(C)C)C2)n1 ZINC001492729429 1066899318 /nfs/dbraw/zinc/89/93/18/1066899318.db2.gz CCNOXTOCHNONJZ-IBGZPJMESA-N 0 0 457.026 4.870 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCCCCO)C2)n1 ZINC001492729877 1066899796 /nfs/dbraw/zinc/89/97/96/1066899796.db2.gz MFWSPQQKTBTEAI-IBGZPJMESA-N 0 0 492.455 4.854 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCOC(C)C)C2)n1 ZINC001492729811 1066899832 /nfs/dbraw/zinc/89/98/32/1066899832.db2.gz KPAXDDOWTFTAHR-FQEVSTJZSA-N 0 0 474.556 4.626 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492729809 1066899942 /nfs/dbraw/zinc/89/99/42/1066899942.db2.gz KOZSNXPOXFJCEW-QFBILLFUSA-N 0 0 477.535 4.647 20 0 JJADRN C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457701694 1066900012 /nfs/dbraw/zinc/90/00/12/1066900012.db2.gz HWDZYPSGKNAJHF-CYBMUJFWSA-N 0 0 454.328 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccc(Br)o3)no2)CC1 ZINC001457701696 1066900048 /nfs/dbraw/zinc/90/00/48/1066900048.db2.gz GMWDZLKBBKNIJW-LBPRGKRZSA-N 0 0 454.321 4.673 20 0 JJADRN C[C@@]1(C(=O)Nc2cc(-c3ccc(Br)o3)no2)CCCN(C(=O)c2ccccc2)C1 ZINC001457705616 1066900533 /nfs/dbraw/zinc/90/05/33/1066900533.db2.gz YAWHFUHYOOCFEN-OAQYLSRUSA-N 0 0 458.312 4.578 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492730508 1066900634 /nfs/dbraw/zinc/90/06/34/1066900634.db2.gz XKMQZFCDZOXCHH-MZEQIWSPSA-N 0 0 484.620 4.619 20 0 JJADRN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001457707391 1066900831 /nfs/dbraw/zinc/90/08/31/1066900831.db2.gz PLWTUCAUMYFTDR-LAUBAEHRSA-N 0 0 450.362 4.977 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC(F)(F)Br)C2)n1 ZINC001492730655 1066901209 /nfs/dbraw/zinc/90/12/09/1066901209.db2.gz AOTUDKYCFYQFCJ-QGZVFWFLSA-N 0 0 497.363 4.651 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCOC(F)(F)F)C2)n1 ZINC001492730735 1066901215 /nfs/dbraw/zinc/90/12/15/1066901215.db2.gz CDWBSVVVMXVLCW-LJQANCHMSA-N 0 0 480.510 4.589 20 0 JJADRN COc1ccc(C(F)(F)C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 ZINC001457708951 1066901276 /nfs/dbraw/zinc/90/12/76/1066901276.db2.gz CBDBBLOOJSUMFS-UHFFFAOYSA-N 0 0 450.239 4.771 20 0 JJADRN COCCC1(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CCCCC1 ZINC001448115324 1066901331 /nfs/dbraw/zinc/90/13/31/1066901331.db2.gz IPQUDKZOGUBCIF-QFIPXVFZSA-N 0 0 457.615 4.707 20 0 JJADRN CC(=O)Nc1sc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nc1-c1ccccc1 ZINC001448119080 1066901482 /nfs/dbraw/zinc/90/14/82/1066901482.db2.gz YTDBHXXBMDJCNO-CRAIPNDOSA-N 0 0 461.465 4.889 20 0 JJADRN COCCC1(CNC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001457709540 1066901399 /nfs/dbraw/zinc/90/13/99/1066901399.db2.gz ANQSXGOONVWFMX-OAHLLOKOSA-N 0 0 457.621 4.619 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)n1 ZINC001492731052 1066901471 /nfs/dbraw/zinc/90/14/71/1066901471.db2.gz KNCZCBBAVSNBHQ-FQEVSTJZSA-N 0 0 470.691 4.739 20 0 JJADRN O=C(NCc1ccc2c(c1)COC2)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001457709919 1066901720 /nfs/dbraw/zinc/90/17/20/1066901720.db2.gz CEANHNVCUVAOEL-UHFFFAOYSA-N 0 0 451.320 4.662 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3csc(C(C)C)n3)C2)n1 ZINC001492731256 1066901904 /nfs/dbraw/zinc/90/19/04/1066901904.db2.gz OZIBBUSDGCABLY-OAQYLSRUSA-N 0 0 455.676 4.954 20 0 JJADRN CC(=O)Nc1sc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)nc1-c1ccccc1 ZINC001448119194 1066901893 /nfs/dbraw/zinc/90/18/93/1066901893.db2.gz JDJCWOWBWHXURA-UHFFFAOYSA-N 0 0 458.543 4.924 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCSCC(C)C)C2)n1 ZINC001492731254 1066901917 /nfs/dbraw/zinc/90/19/17/1066901917.db2.gz OZFCVWQBTUWDIQ-OAQYLSRUSA-N 0 0 473.716 4.678 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)c3cc(Br)ccc3Br)nc2c1 ZINC001448123642 1066902109 /nfs/dbraw/zinc/90/21/09/1066902109.db2.gz OUUQOIRFEAUCCM-SECBINFHSA-N 0 0 453.134 4.588 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001492731216 1066902144 /nfs/dbraw/zinc/90/21/44/1066902144.db2.gz ODBFFKRVYAGOQE-OAQYLSRUSA-N 0 0 490.574 4.544 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CCSC(C)C)C2)n1 ZINC001492731419 1066902518 /nfs/dbraw/zinc/90/25/18/1066902518.db2.gz SWMSTRBJCSYPMO-HXUWFJFHSA-N 0 0 472.634 4.793 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccsc4)n3CCCC(F)(F)F)C2)n1 ZINC001492731587 1066902855 /nfs/dbraw/zinc/90/28/55/1066902855.db2.gz VCIHRAVTFQIFHR-GOSISDBHSA-N 0 0 452.550 4.928 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cc(CSCCO)ccn1 ZINC001457714336 1066902870 /nfs/dbraw/zinc/90/28/70/1066902870.db2.gz IHIZZDZHOKYUII-UHFFFAOYSA-N 0 0 453.511 4.631 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(Cl)cc4Cl)n3CC(C)(C)O)C2)n1 ZINC001492731758 1066902879 /nfs/dbraw/zinc/90/28/79/1066902879.db2.gz WOEWDBOWQUEEPE-GOSISDBHSA-N 0 0 493.439 4.590 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccsc4)n3CCCC(F)(F)F)C2)n1 ZINC001492731588 1066902920 /nfs/dbraw/zinc/90/29/20/1066902920.db2.gz VCIHRAVTFQIFHR-SFHVURJKSA-N 0 0 452.550 4.928 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3cc(F)ccc3s2)cc1C ZINC001457714840 1066902951 /nfs/dbraw/zinc/90/29/51/1066902951.db2.gz BUMNBUFILHMWKW-SFHVURJKSA-N 0 0 459.543 4.889 20 0 JJADRN Cc1cc(F)cc(NC(=O)c2c(F)c(Br)ccc2I)c1 ZINC001457716108 1066903313 /nfs/dbraw/zinc/90/33/13/1066903313.db2.gz ZFBQVZJDLSEQIM-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457715475 1066903409 /nfs/dbraw/zinc/90/34/09/1066903409.db2.gz DNCCAXBSGNKUNK-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c2ccccc21 ZINC001448132007 1066903584 /nfs/dbraw/zinc/90/35/84/1066903584.db2.gz PEQQTCUWKLVDFD-KGLIPLIRSA-N 0 0 451.375 4.691 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)c(I)cc1Cl ZINC001457717147 1066903902 /nfs/dbraw/zinc/90/39/02/1066903902.db2.gz QTQYASUFGMCWQV-GFCCVEGCSA-N 0 0 457.695 4.673 20 0 JJADRN C[C@H](NC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O)c1ccc(Cl)c2ccccc21 ZINC001448132123 1066904036 /nfs/dbraw/zinc/90/40/36/1066904036.db2.gz PXXJJVZVFKYORV-YHAMSUFESA-N 0 0 450.966 4.746 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2Cc2csc(C)c2)n1 ZINC001492732191 1066904282 /nfs/dbraw/zinc/90/42/82/1066904282.db2.gz KVLUFZNSTVWKAD-GOSISDBHSA-N 0 0 464.639 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@H]2CCC[C@H]2C)n1 ZINC001492732124 1066904338 /nfs/dbraw/zinc/90/43/38/1066904338.db2.gz JMPJGBHCSVVPIN-WBYFFULTSA-N 0 0 468.671 4.511 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCc2cccs2)n1 ZINC001492732251 1066904647 /nfs/dbraw/zinc/90/46/47/1066904647.db2.gz LZDOVNNKCXLSOB-KRWDZBQOSA-N 0 0 456.566 4.920 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[C@@H]2CCCCO2)n1 ZINC001492732301 1066904662 /nfs/dbraw/zinc/90/46/62/1066904662.db2.gz MTCRIOJVJWWYNO-QUCCMNQESA-N 0 0 458.557 4.575 20 0 JJADRN Cc1cc(NC(=O)CSCC(=O)Nc2nc(-c3cccc4ccccc43)c(C)s2)no1 ZINC001448153918 1066904716 /nfs/dbraw/zinc/90/47/16/1066904716.db2.gz DUCMDTFTYVZRQL-UHFFFAOYSA-N 0 0 452.561 4.879 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492732373 1066904805 /nfs/dbraw/zinc/90/48/05/1066904805.db2.gz NXBDIFZQCBFCET-GOSISDBHSA-N 0 0 487.674 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@](C)(O)C2CCCCC2)n1 ZINC001492732418 1066905204 /nfs/dbraw/zinc/90/52/04/1066905204.db2.gz OMEYYDBWCPSHTL-DVECYGJZSA-N 0 0 456.660 4.730 20 0 JJADRN Cc1sc(NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)nc1-c1cccc2ccccc21 ZINC001448158371 1066905278 /nfs/dbraw/zinc/90/52/78/1066905278.db2.gz NYQOOGYBUIXNHN-UHFFFAOYSA-N 0 0 454.577 4.539 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492732464 1066905268 /nfs/dbraw/zinc/90/52/68/1066905268.db2.gz PAZSNHPRYKPJLS-QFZWGZQFSA-N 0 0 468.621 4.927 20 0 JJADRN CC(C)(C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001448165962 1066905620 /nfs/dbraw/zinc/90/56/20/1066905620.db2.gz SNCLRXWZRAVYOE-UHFFFAOYSA-N 0 0 455.954 4.652 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)[C@H]1Oc1ccccc1 ZINC001448168398 1066906072 /nfs/dbraw/zinc/90/60/72/1066906072.db2.gz WSAWYFCEOMRBPC-VVHHDAOASA-N 0 0 450.398 4.671 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001492732764 1066906111 /nfs/dbraw/zinc/90/61/11/1066906111.db2.gz VJAIAOOIVAOXMH-RLWLMLJZSA-N 0 0 450.631 4.587 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C(F)(F)F)nc1Cl ZINC001457731513 1066906174 /nfs/dbraw/zinc/90/61/74/1066906174.db2.gz MUKNAENDWUIHMH-LBPRGKRZSA-N 0 0 452.647 4.596 20 0 JJADRN CCSc1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)ccn1 ZINC001448170299 1066906584 /nfs/dbraw/zinc/90/65/84/1066906584.db2.gz ZQMWDIMMDSGSAL-UHFFFAOYSA-N 0 0 455.605 4.541 20 0 JJADRN COC(=O)[C@@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1C)c1ccc(C)c(C)c1 ZINC001448170551 1066906754 /nfs/dbraw/zinc/90/67/54/1066906754.db2.gz UCVUHOIOOZVYND-NRFANRHFSA-N 0 0 457.983 4.574 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492733408 1066906970 /nfs/dbraw/zinc/90/69/70/1066906970.db2.gz JNQQEDPCIOISOE-XMSQKQJNSA-N 0 0 465.646 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@@H](C)Oc2ccccc2F)n1 ZINC001492733593 1066907514 /nfs/dbraw/zinc/90/75/14/1066907514.db2.gz OBSFFWCTOFLXDB-TWMPVWRBSA-N 0 0 454.594 4.761 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001448184300 1066907484 /nfs/dbraw/zinc/90/74/84/1066907484.db2.gz CDZWNAPJRRPSEE-UHFFFAOYSA-N 0 0 456.618 4.941 20 0 JJADRN O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC001457738005 1066907781 /nfs/dbraw/zinc/90/77/81/1066907781.db2.gz FJKISXLDHYOVOA-GCJKJVERSA-N 0 0 458.530 4.959 20 0 JJADRN C[S@@](=O)c1cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001457739480 1066907805 /nfs/dbraw/zinc/90/78/05/1066907805.db2.gz XQCBOGHWXJWZRO-GHRAFVERSA-N 0 0 452.576 4.573 20 0 JJADRN CSc1ccc([C@@H](C)NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)cc1 ZINC001448185341 1066907768 /nfs/dbraw/zinc/90/77/68/1066907768.db2.gz ITBMEGMJSKYUPE-MRXNPFEDSA-N 0 0 454.596 4.660 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C)n2Cc2ccccc2OCC(F)(F)F)n1 ZINC001492734209 1066907825 /nfs/dbraw/zinc/90/78/25/1066907825.db2.gz FVEGCNQPBCNPKT-UHFFFAOYSA-N 0 0 464.536 4.611 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2Cc2cccc(Br)n2)n1 ZINC001492734096 1066907879 /nfs/dbraw/zinc/90/78/79/1066907879.db2.gz ATSGOKDMRHLAFW-QGZVFWFLSA-N 0 0 494.441 4.585 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001448190063 1066908550 /nfs/dbraw/zinc/90/85/50/1066908550.db2.gz NQSULVFZZDEOOE-HXUWFJFHSA-N 0 0 459.631 4.530 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(O)c1)c1cccc(Br)c1 ZINC001448190822 1066908561 /nfs/dbraw/zinc/90/85/61/1066908561.db2.gz LMSBMSOBRQNHNB-VQTJNVASSA-N 0 0 451.320 4.693 20 0 JJADRN COc1cc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)ncc1Br ZINC001457742091 1066908602 /nfs/dbraw/zinc/90/86/02/1066908602.db2.gz IFTFRPIFSKOBSL-UHFFFAOYSA-N 0 0 452.305 4.588 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492735143 1066908678 /nfs/dbraw/zinc/90/86/78/1066908678.db2.gz LRYDZHVRKASKPJ-OXJNMPFZSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@@H]2CCCSC2)n1 ZINC001492735432 1066908954 /nfs/dbraw/zinc/90/89/54/1066908954.db2.gz WDPQELVVXUGZJE-IBGZPJMESA-N 0 0 489.487 4.682 20 0 JJADRN O=C(Nc1ccccc1C(=O)NN1CCCc2ccccc21)c1ccccc1Br ZINC001448198238 1066909318 /nfs/dbraw/zinc/90/93/18/1066909318.db2.gz ISGLKWXBULGLOY-UHFFFAOYSA-N 0 0 450.336 4.799 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001492735827 1066909525 /nfs/dbraw/zinc/90/95/25/1066909525.db2.gz LEEIQDQCUCEHGE-UHFFFAOYSA-N 0 0 499.685 4.546 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492735936 1066909752 /nfs/dbraw/zinc/90/97/52/1066909752.db2.gz OPMMESOJTFWQFU-OXJNMPFZSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2[C@@H]2C[C@H]2C(C)C)n1 ZINC001492735986 1066909981 /nfs/dbraw/zinc/90/99/81/1066909981.db2.gz QAVDTHQSOBMGTR-VQTJNVASSA-N 0 0 457.420 4.756 20 0 JJADRN COC(=O)c1sc(NC(=O)CN(Cc2cccnc2)c2ccccc2)nc1C1CCCC1 ZINC001457746319 1066909931 /nfs/dbraw/zinc/90/99/31/1066909931.db2.gz WJZYPSWUWGUPAY-UHFFFAOYSA-N 0 0 450.564 4.628 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001457748259 1066910157 /nfs/dbraw/zinc/91/01/57/1066910157.db2.gz UPXZCEGNLJFXAE-UHFFFAOYSA-N 0 0 455.845 4.807 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CCO1 ZINC001546093682 1066910590 /nfs/dbraw/zinc/91/05/90/1066910590.db2.gz RMMKSHBEARXHGT-RUZDIDTESA-N 0 0 454.619 4.519 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001546003723 1066910683 /nfs/dbraw/zinc/91/06/83/1066910683.db2.gz OYKSFGHPVYFOFE-NFQMXDRXSA-N 0 0 496.656 4.659 20 0 JJADRN CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 ZINC001448225603 1066910735 /nfs/dbraw/zinc/91/07/35/1066910735.db2.gz MDELQZYKBNBTQY-XMMPIXPASA-N 0 0 456.030 4.918 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492736199 1066910725 /nfs/dbraw/zinc/91/07/25/1066910725.db2.gz XWZQFIRJZXTVFS-MSOLQXFVSA-N 0 0 450.509 4.971 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 ZINC001448225250 1066910843 /nfs/dbraw/zinc/91/08/43/1066910843.db2.gz HGYHVOPDYORPCF-IBGZPJMESA-N 0 0 452.982 4.761 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC001457751930 1066911066 /nfs/dbraw/zinc/91/10/66/1066911066.db2.gz XPXQPRIAVUUFMZ-LJQANCHMSA-N 0 0 454.542 4.793 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001546003810 1066911155 /nfs/dbraw/zinc/91/11/55/1066911155.db2.gz QOKCKIBOENAFIH-QFBILLFUSA-N 0 0 484.519 4.695 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1ccccc1 ZINC001448229343 1066911256 /nfs/dbraw/zinc/91/12/56/1066911256.db2.gz LBNMOUPCRLKMOG-NRFANRHFSA-N 0 0 456.608 4.998 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CC[C@@H](F)C2)n1 ZINC001492736239 1066911276 /nfs/dbraw/zinc/91/12/76/1066911276.db2.gz YVMKOCORGVGWQC-UYAOXDASSA-N 0 0 464.511 4.933 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Br)n2C[C@H]2CCC(F)(F)C2)n1 ZINC001492736646 1066911714 /nfs/dbraw/zinc/91/17/14/1066911714.db2.gz NKYBKXCBBRPOKE-KRWDZBQOSA-N 0 0 493.400 4.974 20 0 JJADRN Cc1cc(C(C)(C)C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)ccc1Br ZINC001448230488 1066911801 /nfs/dbraw/zinc/91/18/01/1066911801.db2.gz UQTNRENSYARNBA-UHFFFAOYSA-N 0 0 453.808 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001457753074 1066911932 /nfs/dbraw/zinc/91/19/32/1066911932.db2.gz DYLDHAPVRXHUNI-HSZRJFAPSA-N 0 0 452.551 4.860 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](OC)C[C@H]3C)c2)cc1 ZINC001448231597 1066912036 /nfs/dbraw/zinc/91/20/36/1066912036.db2.gz UKYZTMRWGACDFA-DENIHFKCSA-N 0 0 458.624 4.778 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(OC[C@@H]2CCCO2)c1 ZINC001457753557 1066912390 /nfs/dbraw/zinc/91/23/90/1066912390.db2.gz HVRQYINUPCZEAL-IBGZPJMESA-N 0 0 458.530 4.969 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2Cc2cccc(Cl)c2C)n1 ZINC001492737118 1066912393 /nfs/dbraw/zinc/91/23/93/1066912393.db2.gz GERRCFFNEYTRRN-UHFFFAOYSA-N 0 0 479.032 4.700 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2CCC(=O)Nc2cccc(Cl)c2C)n1 ZINC001492737320 1066912771 /nfs/dbraw/zinc/91/27/71/1066912771.db2.gz NYRPELIVCGXBCU-UHFFFAOYSA-N 0 0 498.056 4.828 20 0 JJADRN Cc1ccc(CNC(=O)C(F)(F)c2ccccc2Br)c(OC[C@@H]2CCCO2)c1 ZINC001457755043 1066912833 /nfs/dbraw/zinc/91/28/33/1066912833.db2.gz PLZQXLUNPUBDIH-INIZCTEOSA-N 0 0 454.311 4.724 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CC(F)(F)C3)n2Cc2ccc(C(C)(F)F)cc2)n1 ZINC001492738005 1066913211 /nfs/dbraw/zinc/91/32/11/1066913211.db2.gz LFQBCKFTKPLJOH-UHFFFAOYSA-N 0 0 464.511 4.781 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3cc4cc(C(F)(F)F)ccc4s3)C2)cc1F ZINC001448234746 1066913256 /nfs/dbraw/zinc/91/32/56/1066913256.db2.gz FLFJTTREAHVLCE-CQSZACIVSA-N 0 0 452.429 4.991 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Br)cc3)n2CC[C@H]2C[C@H](F)C2)n1 ZINC001492738912 1066913629 /nfs/dbraw/zinc/91/36/29/1066913629.db2.gz NXPKKXDEIZLWGE-XUTJKUGGSA-N 0 0 489.437 4.719 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)C)n1 ZINC001492739334 1066913922 /nfs/dbraw/zinc/91/39/22/1066913922.db2.gz FPKAEBULPZHXKH-RSXGOPAZSA-N 0 0 464.658 4.660 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC3CC3)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492739343 1066913978 /nfs/dbraw/zinc/91/39/78/1066913978.db2.gz FYQQPAKVOZIQMM-UHFFFAOYSA-N 0 0 450.484 4.582 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCOc3ccc(F)cc3)n2Cc2sccc2C)n1 ZINC001492739785 1066914411 /nfs/dbraw/zinc/91/44/11/1066914411.db2.gz VPZBHKQXJNDAQB-UHFFFAOYSA-N 0 0 468.602 4.602 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC3CC3)n2CCc2cc(Br)ccc2F)n1 ZINC001492739745 1066914486 /nfs/dbraw/zinc/91/44/86/1066914486.db2.gz TVLXXBXMGSHSMP-UHFFFAOYSA-N 0 0 475.410 4.520 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H](CO)CC2CCCC2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001448240554 1066914555 /nfs/dbraw/zinc/91/45/55/1066914555.db2.gz DSPZFMXLLIRKBZ-INIZCTEOSA-N 0 0 451.350 4.622 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC001457768198 1066914823 /nfs/dbraw/zinc/91/48/23/1066914823.db2.gz YMSUQNHJZBZVGC-UXHICEINSA-N 0 0 453.457 4.633 20 0 JJADRN Cc1cccc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)c1NC(=O)c1ccccc1F ZINC001457768133 1066914854 /nfs/dbraw/zinc/91/48/54/1066914854.db2.gz IECHSHZGVWOMNS-GOSISDBHSA-N 0 0 451.567 4.967 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC001448245532 1066914955 /nfs/dbraw/zinc/91/49/55/1066914955.db2.gz VZPFDORECWNMPS-QGZVFWFLSA-N 0 0 454.523 4.885 20 0 JJADRN C[C@@H]1C[C@@H](CCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C[C@H](C)O1 ZINC001448245505 1066914977 /nfs/dbraw/zinc/91/49/77/1066914977.db2.gz JGIHGXDXNNVOTA-BJWYYQGGSA-N 0 0 451.633 4.581 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 ZINC001457771120 1066915163 /nfs/dbraw/zinc/91/51/63/1066915163.db2.gz BEUBSHFHVLFUAH-XLIONFOSSA-N 0 0 455.769 4.894 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)c(C)cc1C ZINC001457769336 1066915188 /nfs/dbraw/zinc/91/51/88/1066915188.db2.gz KHAUZOBTTHCUKW-UHFFFAOYSA-N 0 0 458.967 4.696 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001546004061 1066915222 /nfs/dbraw/zinc/91/52/22/1066915222.db2.gz VOKJHCCRCRMXMO-JKSUJKDBSA-N 0 0 453.033 4.648 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492740158 1066915353 /nfs/dbraw/zinc/91/53/53/1066915353.db2.gz JWTYMSXTYMEFHF-YLJYHZDGSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)C[C@H]2NC(=O)c3ccccc32)c(Br)c1 ZINC001448251254 1066915414 /nfs/dbraw/zinc/91/54/14/1066915414.db2.gz RXNXMICLCVMODJ-OAQYLSRUSA-N 0 0 453.336 4.754 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1nc2ccccc2s1 ZINC001457772478 1066915529 /nfs/dbraw/zinc/91/55/29/1066915529.db2.gz GGDVUPUNPRJYRR-KRWDZBQOSA-N 0 0 451.375 4.826 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(Br)cs1 ZINC001457773487 1066916154 /nfs/dbraw/zinc/91/61/54/1066916154.db2.gz LEBMWSOADTWYNO-ZDUSSCGKSA-N 0 0 451.169 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc(=O)c(Cl)c[nH]2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001448286751 1066916217 /nfs/dbraw/zinc/91/62/17/1066916217.db2.gz IGDUSBLFANRVBQ-CABCVRRESA-N 0 0 452.338 4.683 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCO[C@H]2CCCC[C@H]2C)n1 ZINC001492740736 1066916181 /nfs/dbraw/zinc/91/61/81/1066916181.db2.gz GJAHIFZPUAUSIU-XXBNENTESA-N 0 0 454.619 4.743 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H](C)c2c(C)noc2C)n1 ZINC001492740802 1066916194 /nfs/dbraw/zinc/91/61/94/1066916194.db2.gz ISVYHNDTQZVHOS-AWEZNQCLSA-N 0 0 479.551 4.717 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCC(F)(F)C2)n1 ZINC001492740869 1066916267 /nfs/dbraw/zinc/91/62/67/1066916267.db2.gz LLBZRNDYUTWNEF-QGZVFWFLSA-N 0 0 460.495 4.744 20 0 JJADRN O=C(Nc1cc(-c2ccccc2F)on1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001457775841 1066916877 /nfs/dbraw/zinc/91/68/77/1066916877.db2.gz GWFHJKOMCIKFHV-UHFFFAOYSA-N 0 0 453.376 4.969 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001457775580 1066916983 /nfs/dbraw/zinc/91/69/83/1066916983.db2.gz UGKOZGILWFDOCC-JXFKEZNVSA-N 0 0 450.362 4.962 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775226 1066917084 /nfs/dbraw/zinc/91/70/84/1066917084.db2.gz SFCBWJIMSPLPTE-GUYCJALGSA-N 0 0 453.753 4.680 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCc2ccccc2OC(F)F)n1 ZINC001492741760 1066917428 /nfs/dbraw/zinc/91/74/28/1066917428.db2.gz GOFWOXOCOCRQCD-QGZVFWFLSA-N 0 0 472.584 4.856 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCO[C@H](C)c2ccccc2)n1 ZINC001492742077 1066917549 /nfs/dbraw/zinc/91/75/49/1066917549.db2.gz LGKRLTOWAFIOHK-ZRCGQRJVSA-N 0 0 450.631 4.790 20 0 JJADRN Cc1c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cccc1N1C(=O)CCNC1=O ZINC001448337364 1066917520 /nfs/dbraw/zinc/91/75/20/1066917520.db2.gz ZMKFKYQYXSOSGO-UHFFFAOYSA-N 0 0 459.468 4.911 20 0 JJADRN O=C(Nc1ncc(-c2ccccc2F)s1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC001448345362 1066917974 /nfs/dbraw/zinc/91/79/74/1066917974.db2.gz DCYIVWVGNOAAOD-UHFFFAOYSA-N 0 0 453.886 4.897 20 0 JJADRN O=C(CCSc1ccccc1Br)NC[C@H](O)c1cccc(Br)c1 ZINC001448342874 1066918010 /nfs/dbraw/zinc/91/80/10/1066918010.db2.gz UGRPKBHRSGKCFB-HNNXBMFYSA-N 0 0 459.203 4.544 20 0 JJADRN COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c(C)cc1C ZINC001448345313 1066918252 /nfs/dbraw/zinc/91/82/52/1066918252.db2.gz BKNLZWGOQBWURB-UHFFFAOYSA-N 0 0 452.532 4.568 20 0 JJADRN Cc1c(C(=O)Nc2c[nH]nc2Cl)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001457780035 1066918336 /nfs/dbraw/zinc/91/83/36/1066918336.db2.gz WRGNGTSHYLDWLW-UHFFFAOYSA-N 0 0 459.984 4.831 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2sccc2Br)n1 ZINC001492743890 1066918769 /nfs/dbraw/zinc/91/87/69/1066918769.db2.gz ASKVNYIWGFSQQE-AWEZNQCLSA-N 0 0 477.476 4.884 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCc2c(C)cccc2C)n1 ZINC001492743557 1066918896 /nfs/dbraw/zinc/91/88/96/1066918896.db2.gz QWOUIPPTWWDFEN-UHFFFAOYSA-N 0 0 458.532 4.698 20 0 JJADRN CCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)[nH]c(C)c1C(C)=O ZINC001448354459 1066919038 /nfs/dbraw/zinc/91/90/38/1066919038.db2.gz NKPQGIRKLIUWBO-FQEVSTJZSA-N 0 0 457.546 4.661 20 0 JJADRN O=C(CSc1ccccc1Br)N1CCOc2ccc(Br)cc2C1 ZINC001448356904 1066919163 /nfs/dbraw/zinc/91/91/63/1066919163.db2.gz RVGMMQPLQAVWPD-UHFFFAOYSA-N 0 0 457.187 4.725 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H](C)Oc2cccc(F)c2)n1 ZINC001492743723 1066919214 /nfs/dbraw/zinc/91/92/14/1066919214.db2.gz VUFDKMHBTPMHOQ-HXUWFJFHSA-N 0 0 466.605 4.929 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492743607 1066919277 /nfs/dbraw/zinc/91/92/77/1066919277.db2.gz RXCKGGWCHBOTNT-SFHVURJKSA-N 0 0 460.548 4.672 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2F)co1)OCc1ccccc1 ZINC001457784870 1066919269 /nfs/dbraw/zinc/91/92/69/1066919269.db2.gz FISQRVXPDQNUFM-QFIPXVFZSA-N 0 0 459.477 4.957 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001457786736 1066919279 /nfs/dbraw/zinc/91/92/79/1066919279.db2.gz BIAURHJWLREWFV-UHFFFAOYSA-N 0 0 459.815 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)cc3nc[nH]c32)[C@@H](c2ccccc2Cl)C1 ZINC001448357749 1066919359 /nfs/dbraw/zinc/91/93/59/1066919359.db2.gz QRAMUOGRARPLGO-LJQANCHMSA-N 0 0 458.921 4.790 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCOc2ccc(Br)cc2C1 ZINC001448358683 1066919451 /nfs/dbraw/zinc/91/94/51/1066919451.db2.gz YPYXFWNTRTVLCC-UHFFFAOYSA-N 0 0 457.187 4.725 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccsc2Br)cc1 ZINC001448357220 1066919473 /nfs/dbraw/zinc/91/94/73/1066919473.db2.gz PCMJACMNAPVTQB-UHFFFAOYSA-N 0 0 451.415 4.623 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC2CC(OC(C)(C)C)C2)n1 ZINC001492744161 1066919664 /nfs/dbraw/zinc/91/96/64/1066919664.db2.gz HUXRLOWDZZGCGN-UHFFFAOYSA-N 0 0 482.595 4.902 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)cc1 ZINC001448359605 1066919832 /nfs/dbraw/zinc/91/98/32/1066919832.db2.gz NNJRCLZJHOOKBT-LBPRGKRZSA-N 0 0 459.237 4.838 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)s1)Nc1ccccc1 ZINC001448358773 1066919933 /nfs/dbraw/zinc/91/99/33/1066919933.db2.gz WFCRNJYHJXSUQA-HXUWFJFHSA-N 0 0 458.543 4.725 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1 ZINC001448359787 1066919938 /nfs/dbraw/zinc/91/99/38/1066919938.db2.gz UORNDZDOKUIMAQ-XZOQPEGZSA-N 0 0 456.558 4.632 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC001448368454 1066920239 /nfs/dbraw/zinc/92/02/39/1066920239.db2.gz FOGIDILILRQYHV-DHIUTWEWSA-N 0 0 454.567 4.688 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)c3scc(Br)c3Br)C2)cc1 ZINC001448362749 1066920257 /nfs/dbraw/zinc/92/02/57/1066920257.db2.gz YHMKDLMBRQHUCF-NSHDSACASA-N 0 0 458.175 4.505 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2cccc(OCC(F)(F)F)c2)n1 ZINC001492744734 1066920631 /nfs/dbraw/zinc/92/06/31/1066920631.db2.gz XBMOSBCCBXQDAC-IAGOWNOFSA-N 0 0 476.547 4.611 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2cccc(OCC(F)(F)F)c2)n1 ZINC001492744733 1066920644 /nfs/dbraw/zinc/92/06/44/1066920644.db2.gz XBMOSBCCBXQDAC-DLBZAZTESA-N 0 0 476.547 4.611 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cc(Cl)cc(Br)c1 ZINC001457789405 1066920773 /nfs/dbraw/zinc/92/07/73/1066920773.db2.gz JPFYOGFVUYKTKC-IBGZPJMESA-N 0 0 450.760 4.929 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](c4ccccc4)[C@@H]3C)n2CC(F)(F)Br)n1 ZINC001492745322 1066920994 /nfs/dbraw/zinc/92/09/94/1066920994.db2.gz LEEQPAGONWBLJQ-WMZOPIPTSA-N 0 0 479.373 4.510 20 0 JJADRN CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)[nH]1 ZINC001457790567 1066921165 /nfs/dbraw/zinc/92/11/65/1066921165.db2.gz WSITVQCTKMRCNK-DCGLDWPTSA-N 0 0 454.402 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(O[C@H]4CCCC[C@@H]4O)cc3)CCCC[C@H]12 ZINC001448382422 1066921178 /nfs/dbraw/zinc/92/11/78/1066921178.db2.gz YYSFJOWDATVPQU-OYSWMMLKSA-N 0 0 458.599 4.877 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](c4ccccc4)[C@@H]3C)n2CCSC(F)(F)F)n1 ZINC001492745659 1066921290 /nfs/dbraw/zinc/92/12/90/1066921290.db2.gz ULCMDNDLOVGTOV-PKOBYXMFSA-N 0 0 464.561 4.775 20 0 JJADRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1cccc(Nc2ccccc2)c1 ZINC001448384925 1066921691 /nfs/dbraw/zinc/92/16/91/1066921691.db2.gz SUIGZBXAFGHRGQ-UHFFFAOYSA-N 0 0 453.340 4.677 20 0 JJADRN Cc1nc2ccc(C(=O)N[C@@H](CO)c3ccc(Br)cc3C(F)(F)F)cc2s1 ZINC001448389479 1066921977 /nfs/dbraw/zinc/92/19/77/1066921977.db2.gz KZYMCCHHBTUVJV-HNNXBMFYSA-N 0 0 459.287 4.849 20 0 JJADRN CC(C)CCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC001457797242 1066922576 /nfs/dbraw/zinc/92/25/76/1066922576.db2.gz ZOALAVXYUCMOKO-UHFFFAOYSA-N 0 0 456.652 4.915 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2nc(C(C)C)cs2)n1 ZINC001492747887 1066922658 /nfs/dbraw/zinc/92/26/58/1066922658.db2.gz PJIVBYGTVCAOIO-UHFFFAOYSA-N 0 0 485.702 4.799 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4cccc(Br)c4C3)n2CCC(C)C)n1 ZINC001492747793 1066922735 /nfs/dbraw/zinc/92/27/35/1066922735.db2.gz MGIDIPGZUSQVSQ-UHFFFAOYSA-N 0 0 457.420 4.511 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)no1 ZINC001457795296 1066922586 /nfs/dbraw/zinc/92/25/86/1066922586.db2.gz PDGVIRKWICXHPT-UHFFFAOYSA-N 0 0 457.111 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2OCc3cc(Cl)ccc32)[C@H](c2cccnc2)C1 ZINC001448398793 1066922889 /nfs/dbraw/zinc/92/28/89/1066922889.db2.gz DOIUWAMWAJRALG-LEWJYISDSA-N 0 0 457.958 4.517 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)c2ccc(F)cc2)n1 ZINC001492748540 1066922998 /nfs/dbraw/zinc/92/29/98/1066922998.db2.gz HVHBLHDPOXQZHT-SFHVURJKSA-N 0 0 460.548 4.738 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3cccnc3)cs2)o1 ZINC001448402330 1066923182 /nfs/dbraw/zinc/92/31/82/1066923182.db2.gz JDLYUHRNYFLBEA-SFHVURJKSA-N 0 0 454.552 4.541 20 0 JJADRN CC(C)(C)OC1CCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 ZINC001457800421 1066923180 /nfs/dbraw/zinc/92/31/80/1066923180.db2.gz FRBRUYDGMOHDEL-UHFFFAOYSA-N 0 0 457.411 4.989 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2C[C@@H](F)c2ccc(Br)cc2)n1 ZINC001492749009 1066923470 /nfs/dbraw/zinc/92/34/70/1066923470.db2.gz SHGGLLMLPLUEAM-FOIQADDNSA-N 0 0 475.410 4.849 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492749036 1066923863 /nfs/dbraw/zinc/92/38/63/1066923863.db2.gz SNQMLJWLIDPDAI-DHIUTWEWSA-N 0 0 450.631 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492749077 1066923925 /nfs/dbraw/zinc/92/39/25/1066923925.db2.gz TXJJOZGEGWAKTQ-GOSISDBHSA-N 0 0 468.474 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C)COCc2ccccc2)n1 ZINC001492749372 1066924270 /nfs/dbraw/zinc/92/42/70/1066924270.db2.gz ZLTVCOQWCXGLQA-SQJMNOBHSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001492749728 1066924730 /nfs/dbraw/zinc/92/47/30/1066924730.db2.gz HOWQUIFQOQDMQA-XZOQPEGZSA-N 0 0 470.065 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCSCC(C)C)n1 ZINC001492750263 1066925141 /nfs/dbraw/zinc/92/51/41/1066925141.db2.gz UDVDEZDFVQDFNH-OAQYLSRUSA-N 0 0 462.708 4.703 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)Oc2ccc(F)cc2)n1 ZINC001492750377 1066925413 /nfs/dbraw/zinc/92/54/13/1066925413.db2.gz WRJWUCNCGMKOBH-NZQKXSOJSA-N 0 0 484.620 4.530 20 0 JJADRN Cc1nc(SCCC(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)n[nH]1 ZINC001448413899 1066925606 /nfs/dbraw/zinc/92/56/06/1066925606.db2.gz KSGJFPBZIVMPKP-UHFFFAOYSA-N 0 0 451.321 4.928 20 0 JJADRN Cc1ccc(Cl)c(NC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)c1 ZINC001457809641 1066925732 /nfs/dbraw/zinc/92/57/32/1066925732.db2.gz AXXCHFNHAXSKQJ-LBPRGKRZSA-N 0 0 455.893 4.612 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001492751272 1066925765 /nfs/dbraw/zinc/92/57/65/1066925765.db2.gz WBEXARHFNRGXLT-JYFHCDHNSA-N 0 0 450.631 4.668 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@@H]1COc2ccc(Cl)cc21 ZINC001457810861 1066925909 /nfs/dbraw/zinc/92/59/09/1066925909.db2.gz IEDXDQFMLGIWCZ-AEFFLSMTSA-N 0 0 456.848 4.527 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)n1 ZINC001492751106 1066926010 /nfs/dbraw/zinc/92/60/10/1066926010.db2.gz RIOVCUUSTSAUNG-OAHLLOKOSA-N 0 0 477.444 4.580 20 0 JJADRN COc1ccccc1[C@](N)(C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C(F)(F)F ZINC001457811637 1066926163 /nfs/dbraw/zinc/92/61/63/1066926163.db2.gz TYJFIICDHOQLEI-IBGZPJMESA-N 0 0 455.889 4.505 20 0 JJADRN C[C@H](C(=O)NC[C@H](NCc1ccccc1)C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC001457812285 1066926352 /nfs/dbraw/zinc/92/63/52/1066926352.db2.gz GGNHVQJIWRKSIQ-MBSDFSHPSA-N 0 0 454.492 4.858 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC001457814086 1066926625 /nfs/dbraw/zinc/92/66/25/1066926625.db2.gz MYVSFFQOVRTGEZ-CQSZACIVSA-N 0 0 454.368 4.739 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001492754087 1066926904 /nfs/dbraw/zinc/92/69/04/1066926904.db2.gz PQTQMWIMQRACFH-XMMPIXPASA-N 0 0 490.574 4.848 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N(Cc2ccccc2Br)C2CCCC2)c1=O ZINC001457818399 1066927488 /nfs/dbraw/zinc/92/74/88/1066927488.db2.gz KGMDFQKUUPYOSC-UHFFFAOYSA-N 0 0 456.384 4.557 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2ccc(Cl)cc2)n1 ZINC001492755919 1066927505 /nfs/dbraw/zinc/92/75/05/1066927505.db2.gz MKZBUIMZGJUYCI-OAQYLSRUSA-N 0 0 459.063 4.614 20 0 JJADRN COc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1Br ZINC001448439605 1066927524 /nfs/dbraw/zinc/92/75/24/1066927524.db2.gz ZPBSNPASKVTUOI-AWEZNQCLSA-N 0 0 452.654 4.593 20 0 JJADRN CSc1ccccc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001448438264 1066927542 /nfs/dbraw/zinc/92/75/42/1066927542.db2.gz PIGJXGPTAYBTSV-SBUREZEXSA-N 0 0 456.633 4.742 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492755643 1066927612 /nfs/dbraw/zinc/92/76/12/1066927612.db2.gz FTCDXWPMJZNTOX-FQEVSTJZSA-N 0 0 496.578 4.924 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC001448439798 1066927742 /nfs/dbraw/zinc/92/77/42/1066927742.db2.gz ZWMPFMNSNSJIHM-HNNXBMFYSA-N 0 0 452.256 4.883 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)OC ZINC001546006041 1066928020 /nfs/dbraw/zinc/92/80/20/1066928020.db2.gz OAGARBDOUIHEBC-CTNGQTDRSA-N 0 0 464.557 4.615 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC(c4ccc(Cl)cc4)C3)c2)cc1F ZINC001457824825 1066928413 /nfs/dbraw/zinc/92/84/13/1066928413.db2.gz WEXSBIDKKGISIH-UHFFFAOYSA-N 0 0 458.942 4.828 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(C)C)c3)C2)n1 ZINC001492756941 1066928450 /nfs/dbraw/zinc/92/84/50/1066928450.db2.gz QDZSOBSLSCNAGU-HSZRJFAPSA-N 0 0 479.673 4.784 20 0 JJADRN O=C(Cc1ccc(Cl)cn1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457822101 1066928558 /nfs/dbraw/zinc/92/85/58/1066928558.db2.gz MZQKTKFQNFMRTO-UHFFFAOYSA-N 0 0 456.373 4.859 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Br)c(OC[C@@H]2CCCO2)c1 ZINC001457826684 1066929012 /nfs/dbraw/zinc/92/90/12/1066929012.db2.gz YEZLLCYHWYJBGJ-INIZCTEOSA-N 0 0 452.776 4.828 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CC(C)C)CC2)n1 ZINC001492757874 1066929280 /nfs/dbraw/zinc/92/92/80/1066929280.db2.gz PBDFYBZFVSMXEO-FQEVSTJZSA-N 0 0 454.594 4.943 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCC(C)C)C2)n1 ZINC001492757630 1066929428 /nfs/dbraw/zinc/92/94/28/1066929428.db2.gz JAXTUCQSVOWKHP-NRFANRHFSA-N 0 0 453.610 4.569 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC001457827663 1066929340 /nfs/dbraw/zinc/92/93/40/1066929340.db2.gz HHJOCVDAOMHYOW-AWEZNQCLSA-N 0 0 459.534 4.746 20 0 JJADRN CCN(C(=O)CCc1nc(-c2ncccn2)no1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457828917 1066929466 /nfs/dbraw/zinc/92/94/66/1066929466.db2.gz PSVAODGLGLIVLN-SFHVURJKSA-N 0 0 457.534 4.745 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3CC(F)(F)F)C2)n1 ZINC001492758224 1066929656 /nfs/dbraw/zinc/92/96/56/1066929656.db2.gz XRKGHUGXIXDNKQ-INIZCTEOSA-N 0 0 499.994 4.911 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCOCCC(C)C)C2)n1 ZINC001492758229 1066929691 /nfs/dbraw/zinc/92/96/91/1066929691.db2.gz XWPKZOCADNMWDP-OAQYLSRUSA-N 0 0 486.064 4.786 20 0 JJADRN O=C([C@@H]1C[C@@H](c2ccccc2)OC1=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448461037 1066929738 /nfs/dbraw/zinc/92/97/38/1066929738.db2.gz USHQFZKBDSHNLV-LPHOPBHVSA-N 0 0 451.416 4.677 20 0 JJADRN Cn1nc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1NC(=O)OC(C)(C)C ZINC001448457261 1066929758 /nfs/dbraw/zinc/92/97/58/1066929758.db2.gz PCCOFAHHBRUDRL-AWEZNQCLSA-N 0 0 450.820 4.593 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC001448456638 1066929867 /nfs/dbraw/zinc/92/98/67/1066929867.db2.gz XPNIYRYZGZSCRQ-PKOBYXMFSA-N 0 0 450.457 4.544 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC001492758044 1066929868 /nfs/dbraw/zinc/92/98/68/1066929868.db2.gz SYOXNBGQWSWHEI-FQEVSTJZSA-N 0 0 491.562 4.548 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001457829424 1066929922 /nfs/dbraw/zinc/92/99/22/1066929922.db2.gz NFNRDEMLFMTCEQ-UHFFFAOYSA-N 0 0 450.783 4.517 20 0 JJADRN COc1cc(C(=O)NC[C@@](C)(O)c2ccccc2Br)ccc1OCCC(C)C ZINC001448466243 1066930304 /nfs/dbraw/zinc/93/03/04/1066930304.db2.gz ZWTOWVJSYAPFNX-JOCHJYFZSA-N 0 0 450.373 4.520 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4csc(C)n4)n3CCSC(F)(F)F)CC2)n1 ZINC001492759100 1066930561 /nfs/dbraw/zinc/93/05/61/1066930561.db2.gz WGQNTFMEHLCMEG-UHFFFAOYSA-N 0 0 499.632 4.617 20 0 JJADRN C[S@@](=O)c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1 ZINC001457834154 1066930611 /nfs/dbraw/zinc/93/06/11/1066930611.db2.gz AFHBCPUXLFFKHK-AYLZSAKASA-N 0 0 458.580 4.803 20 0 JJADRN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cccc(C)c1NC(=O)c1ccncc1 ZINC001448469458 1066930570 /nfs/dbraw/zinc/93/05/70/1066930570.db2.gz WOLBVPIMFLMZLR-RUZDIDTESA-N 0 0 452.514 4.680 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4C)n3CCNC(=O)OC(C)(C)C)CC2)n1 ZINC001492759340 1066930915 /nfs/dbraw/zinc/93/09/15/1066930915.db2.gz ZINKELCIVRTMHR-UHFFFAOYSA-N 0 0 493.656 4.508 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475896 1066931087 /nfs/dbraw/zinc/93/10/87/1066931087.db2.gz MJTUSKTZDXKGFB-OAQYLSRUSA-N 0 0 450.476 4.776 20 0 JJADRN O=C(Nc1cc2c(cn1)CCCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC001457836848 1066931170 /nfs/dbraw/zinc/93/11/70/1066931170.db2.gz MNFMOPGUAWIOKB-UHFFFAOYSA-N 0 0 459.930 4.806 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)c2)c1 ZINC001448477745 1066931239 /nfs/dbraw/zinc/93/12/39/1066931239.db2.gz RPIBXFPKAPNIJO-XYWHTSSQSA-N 0 0 452.551 4.919 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(COc4ccc(F)cc4)n3CCC(C)C)CC2)n1 ZINC001492758927 1066931248 /nfs/dbraw/zinc/93/12/48/1066931248.db2.gz QGJFDIRRJJOOCD-UHFFFAOYSA-N 0 0 454.594 4.772 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccn4)n3CCCSCC(C)C)CC2)n1 ZINC001492758753 1066931257 /nfs/dbraw/zinc/93/12/57/1066931257.db2.gz LZBYYQQZSFAWAV-UHFFFAOYSA-N 0 0 467.687 4.849 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C4CCCC4)n3C[C@@](C)(O)CCC(C)C)CC2)n1 ZINC001492758965 1066931577 /nfs/dbraw/zinc/93/15/77/1066931577.db2.gz RGJDFUIEBNBCPW-SANMLTNESA-N 0 0 456.679 4.853 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)ccc1Br ZINC001457848264 1066931927 /nfs/dbraw/zinc/93/19/27/1066931927.db2.gz HLFRFLPPOSGBGE-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCC(C)(C)C2)n1 ZINC001492759691 1066931905 /nfs/dbraw/zinc/93/19/05/1066931905.db2.gz KHZKIHCKKIIDTQ-UHFFFAOYSA-N 0 0 463.630 4.677 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)c1 ZINC001546006821 1066931992 /nfs/dbraw/zinc/93/19/92/1066931992.db2.gz BTAIMSBRWKIIKJ-QPPBQGQZSA-N 0 0 451.611 4.854 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2CCOC(C)(C)[C@H]2C)n1 ZINC001492760355 1066932036 /nfs/dbraw/zinc/93/20/36/1066932036.db2.gz BTKQAQYEHMYGEZ-GOSISDBHSA-N 0 0 487.446 4.615 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3csc(-c4ccccc4OC)n3)cc2c(OC)c1 ZINC001457853834 1066932354 /nfs/dbraw/zinc/93/23/54/1066932354.db2.gz HJGJVQDMOIETDQ-UHFFFAOYSA-N 0 0 451.548 4.680 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCCC2)n1 ZINC001492760136 1066932424 /nfs/dbraw/zinc/93/24/24/1066932424.db2.gz WLBGCHPINHZPHG-UHFFFAOYSA-N 0 0 498.075 4.782 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)n1 ZINC001492760573 1066932855 /nfs/dbraw/zinc/93/28/55/1066932855.db2.gz KBQMCHGKVXJCIN-GOSISDBHSA-N 0 0 476.547 4.942 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC001448493803 1066933012 /nfs/dbraw/zinc/93/30/12/1066933012.db2.gz FBMXJCZUNJJFIB-SNVBAGLBSA-N 0 0 459.291 4.910 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cccn3C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC001492760622 1066933172 /nfs/dbraw/zinc/93/31/72/1066933172.db2.gz LIEQGMDXPWJHBS-UHFFFAOYSA-N 0 0 489.468 4.508 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC001448493798 1066933212 /nfs/dbraw/zinc/93/32/12/1066933212.db2.gz FBMXJCZUNJJFIB-JTQLQIEISA-N 0 0 459.291 4.910 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)cc2c(OC)c1 ZINC001457862466 1066933248 /nfs/dbraw/zinc/93/32/48/1066933248.db2.gz RRNMVIASCKCJEE-PZJWPPBQSA-N 0 0 473.614 4.708 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(O)c1 ZINC001457863423 1066933271 /nfs/dbraw/zinc/93/32/71/1066933271.db2.gz WPTHBKOIMKDKPT-UHFFFAOYSA-N 0 0 454.548 4.765 20 0 JJADRN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457863508 1066933329 /nfs/dbraw/zinc/93/33/29/1066933329.db2.gz IGADKRSOBJGCBL-YJBOKZPZSA-N 0 0 455.352 4.588 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)nc3C2)cc1NC(=O)NC(C)(C)C ZINC001448498424 1066933399 /nfs/dbraw/zinc/93/33/99/1066933399.db2.gz AOJVVAFDEPOEGM-IBGZPJMESA-N 0 0 451.615 4.973 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCOc1ccc(Cl)cn1 ZINC001457868375 1066933740 /nfs/dbraw/zinc/93/37/40/1066933740.db2.gz PLHOUBSISJWKGW-UHFFFAOYSA-N 0 0 450.347 4.819 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492761181 1066933782 /nfs/dbraw/zinc/93/37/82/1066933782.db2.gz FMGHIDZWHIIZDE-OAQYLSRUSA-N 0 0 474.556 4.661 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(C)cc2OCC)[C@@H]1c1ccc(OC)cc1 ZINC001457872388 1066934176 /nfs/dbraw/zinc/93/41/76/1066934176.db2.gz VLJPUVFZDFKMFR-OZXSUGGESA-N 0 0 452.595 4.799 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001448503155 1066934083 /nfs/dbraw/zinc/93/40/83/1066934083.db2.gz OIOZNHVHQOTOSN-FQEVSTJZSA-N 0 0 455.555 4.907 20 0 JJADRN Cc1cc(C)n(CCCn2c(C3CCCC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492761415 1066934291 /nfs/dbraw/zinc/93/42/91/1066934291.db2.gz LYXZZPSVAOXXEZ-JOCHJYFZSA-N 0 0 485.677 4.675 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCCO3)nnc2N(Cc2cccc(F)c2)C(C)C)n1 ZINC001492761637 1066934348 /nfs/dbraw/zinc/93/43/48/1066934348.db2.gz SDVTUPZKIOPEDG-HSZRJFAPSA-N 0 0 454.594 4.977 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CSc3cc(Cl)ccc3Cl)CC2)c1 ZINC001457875369 1066934553 /nfs/dbraw/zinc/93/45/53/1066934553.db2.gz LVRHZABKWJXDGJ-UHFFFAOYSA-N 0 0 455.407 4.842 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccc(F)c2)n1 ZINC001492762197 1066934684 /nfs/dbraw/zinc/93/46/84/1066934684.db2.gz IZPMKOCPYVOMEI-DHIUTWEWSA-N 0 0 468.621 4.876 20 0 JJADRN O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCc2cccc(Br)c2C1 ZINC001457877516 1066934871 /nfs/dbraw/zinc/93/48/71/1066934871.db2.gz FNTDQHAQIIKMMV-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC=C(Br)C2)n1 ZINC001492762289 1066934907 /nfs/dbraw/zinc/93/49/07/1066934907.db2.gz MFHJSNVMQMYANQ-WOJBJXKFSA-N 0 0 491.478 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCc4cccc(Br)c4C3)cc2C1 ZINC001457877324 1066934992 /nfs/dbraw/zinc/93/49/92/1066934992.db2.gz DNWHIDIEVKYOLO-UHFFFAOYSA-N 0 0 457.368 4.898 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccn3)nnc2N(Cc2ccc(F)cc2)C(C)C)n1 ZINC001492762284 1066935014 /nfs/dbraw/zinc/93/50/14/1066935014.db2.gz LXEJLIVQTYNNKW-UHFFFAOYSA-N 0 0 461.589 4.722 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)n1 ZINC001492762303 1066935074 /nfs/dbraw/zinc/93/50/74/1066935074.db2.gz MMIZBLWQUFPZTL-UHFFFAOYSA-N 0 0 481.453 4.621 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccsc3)nnc2N(C)Cc2cc(Cl)ccn2)n1 ZINC001492762336 1066935087 /nfs/dbraw/zinc/93/50/87/1066935087.db2.gz OFIZKSCSXRZQFW-UHFFFAOYSA-N 0 0 456.019 4.519 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C)CC2)n1 ZINC001492762418 1066935099 /nfs/dbraw/zinc/93/50/99/1066935099.db2.gz QSOPZOXRPDUEMY-YUXAGFNASA-N 0 0 485.677 4.579 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cccc(CNc2ccncn2)c1 ZINC001448513162 1066935585 /nfs/dbraw/zinc/93/55/85/1066935585.db2.gz FQWATXDSZCCWPF-LJQANCHMSA-N 0 0 451.368 4.828 20 0 JJADRN CSc1ccc([C@H](C)NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)cc1 ZINC001448516000 1066935645 /nfs/dbraw/zinc/93/56/45/1066935645.db2.gz ITBMEGMJSKYUPE-INIZCTEOSA-N 0 0 454.596 4.660 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)nnc2C(C)(C)C)n1 ZINC001492762649 1066935766 /nfs/dbraw/zinc/93/57/66/1066935766.db2.gz ZLFVOAYYFIBZHD-OAQYLSRUSA-N 0 0 488.583 4.659 20 0 JJADRN CC[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001546007583 1066935938 /nfs/dbraw/zinc/93/59/38/1066935938.db2.gz ANSPFFNVYNRUTO-RTWAWAEBSA-N 0 0 471.646 4.829 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001448522904 1066936053 /nfs/dbraw/zinc/93/60/53/1066936053.db2.gz WHYOYUMHJSKECX-VQIMIIECSA-N 0 0 456.302 4.735 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCC(F)(F)F)CCO2)o1 ZINC001492764437 1066936148 /nfs/dbraw/zinc/93/61/48/1066936148.db2.gz FYOJAEFIARLJGF-SFHVURJKSA-N 0 0 478.519 4.854 20 0 JJADRN CC(C)(C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448530850 1066936354 /nfs/dbraw/zinc/93/63/54/1066936354.db2.gz HLFUWMBNYKHTEF-HXUWFJFHSA-N 0 0 450.410 4.992 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533195 1066936427 /nfs/dbraw/zinc/93/64/27/1066936427.db2.gz DOEZHXSQXVMOMF-CVDCTZTESA-N 0 0 453.583 4.662 20 0 JJADRN Cc1ccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)c(O[C@H]2CCOC2)c1 ZINC001457887056 1066936452 /nfs/dbraw/zinc/93/64/52/1066936452.db2.gz ZTQQFVUXOXPKQA-NRFANRHFSA-N 0 0 459.633 4.727 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC001448536580 1066936880 /nfs/dbraw/zinc/93/68/80/1066936880.db2.gz FIXJAGDUTHGYMH-QZTJIDSGSA-N 0 0 455.368 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC001448536575 1066936899 /nfs/dbraw/zinc/93/68/99/1066936899.db2.gz FIXJAGDUTHGYMH-MSOLQXFVSA-N 0 0 455.368 4.945 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[C@H](C)C2)s1 ZINC001492765439 1066936985 /nfs/dbraw/zinc/93/69/85/1066936985.db2.gz HFMQHBUOBDEGSP-OKILXGFUSA-N 0 0 461.433 4.593 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001457889326 1066936932 /nfs/dbraw/zinc/93/69/32/1066936932.db2.gz UWCYRVZHGCTQMP-INIZCTEOSA-N 0 0 459.276 4.642 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC001448537394 1066937121 /nfs/dbraw/zinc/93/71/21/1066937121.db2.gz KVLPZXDXVKVMDM-FQEVSTJZSA-N 0 0 451.430 4.621 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(Br)c2)s1 ZINC001492765564 1066937355 /nfs/dbraw/zinc/93/73/55/1066937355.db2.gz KVTHEBPJYXVPCF-UHFFFAOYSA-N 0 0 484.427 4.532 20 0 JJADRN Cc1c(C(=O)N2CCC(=Cc3ccccc3F)CC2)nnn1-c1cccc(Br)c1 ZINC001457893524 1066937672 /nfs/dbraw/zinc/93/76/72/1066937672.db2.gz RUVLUQVEZPBFQX-UHFFFAOYSA-N 0 0 455.331 4.797 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(F)cc3Br)nnc2N(C)CCC(F)F)s1 ZINC001492765793 1066937776 /nfs/dbraw/zinc/93/77/76/1066937776.db2.gz RWNGWUVZCPYLBR-UHFFFAOYSA-N 0 0 489.365 4.731 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492765786 1066937839 /nfs/dbraw/zinc/93/78/39/1066937839.db2.gz RSVPGKSFJKJKHE-UHFFFAOYSA-N 0 0 479.557 4.850 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001448544023 1066937949 /nfs/dbraw/zinc/93/79/49/1066937949.db2.gz AIHAJQUJYVOHPX-UHFFFAOYSA-N 0 0 450.579 4.716 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)N3CCC[C@H]3c3ccc(Br)c(F)c3)cc2)cn1 ZINC001448543633 1066937956 /nfs/dbraw/zinc/93/79/56/1066937956.db2.gz SAWUGWIBGODFPK-NRFANRHFSA-N 0 0 457.347 4.911 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492765860 1066938074 /nfs/dbraw/zinc/93/80/74/1066938074.db2.gz UXNDBUSTIILPSW-KBPBESRZSA-N 0 0 493.500 4.831 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492765979 1066938105 /nfs/dbraw/zinc/93/81/05/1066938105.db2.gz XXBBSQMATSCWJH-OAHLLOKOSA-N 0 0 487.630 4.751 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N3CCC(CNC(=O)OCc4ccccc4)CC3)c2n1 ZINC001448545175 1066938336 /nfs/dbraw/zinc/93/83/36/1066938336.db2.gz GMFLOTXMQJIIOY-UHFFFAOYSA-N 0 0 451.954 4.975 20 0 JJADRN Cc1nnc(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)s1 ZINC001492766334 1066938880 /nfs/dbraw/zinc/93/88/80/1066938880.db2.gz JMPSGSYJUQKGBV-SFHVURJKSA-N 0 0 489.690 4.564 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3ccc(I)cc3OC)cc21 ZINC001457900548 1066938955 /nfs/dbraw/zinc/93/89/55/1066938955.db2.gz HXSLDZVCDFVSIF-UHFFFAOYSA-N 0 0 450.320 4.715 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3nnn(-c4cccc(Br)c4)c3C)cc21 ZINC001457903207 1066939423 /nfs/dbraw/zinc/93/94/23/1066939423.db2.gz MQKDZODYMMMPRG-UHFFFAOYSA-N 0 0 454.372 4.753 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC001457907447 1066939737 /nfs/dbraw/zinc/93/97/37/1066939737.db2.gz UFZSSBLAHIDGRU-UHFFFAOYSA-N 0 0 457.603 4.599 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492767103 1066939825 /nfs/dbraw/zinc/93/98/25/1066939825.db2.gz GVZISWIORPQRKZ-UHFFFAOYSA-N 0 0 490.058 4.705 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001457909914 1066940098 /nfs/dbraw/zinc/94/00/98/1066940098.db2.gz GHQJZADIOIBHEH-MGPUTAFESA-N 0 0 454.876 4.854 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(OC)c(I)c1 ZINC001457909731 1066940109 /nfs/dbraw/zinc/94/01/09/1066940109.db2.gz FDDXGNMHWMQLTH-AWEZNQCLSA-N 0 0 453.320 4.716 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)s1 ZINC001492767430 1066940131 /nfs/dbraw/zinc/94/01/31/1066940131.db2.gz QUNISZHUJVZCRM-FQEVSTJZSA-N 0 0 488.633 4.573 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1N ZINC001448580279 1066940240 /nfs/dbraw/zinc/94/02/40/1066940240.db2.gz DCPCIWRWUOTAIJ-UHFFFAOYSA-N 0 0 455.308 4.649 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492767690 1066940668 /nfs/dbraw/zinc/94/06/68/1066940668.db2.gz XRCKOGPOMFYYOD-OAHLLOKOSA-N 0 0 484.523 4.568 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC001457915800 1066940876 /nfs/dbraw/zinc/94/08/76/1066940876.db2.gz SAQMDSZTIBCBIA-MGPUTAFESA-N 0 0 451.548 4.610 20 0 JJADRN O=C(Nc1ncc(Br)cc1I)c1ccc(C2CCC2)cc1 ZINC001457915838 1066940897 /nfs/dbraw/zinc/94/08/97/1066940897.db2.gz QKGRJIQUYMFJHT-UHFFFAOYSA-N 0 0 457.109 4.969 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)sc1Cc1ccc(F)c(F)c1F ZINC001448604038 1066941002 /nfs/dbraw/zinc/94/10/02/1066941002.db2.gz BROVRUJRPXECLW-INIZCTEOSA-N 0 0 459.493 4.841 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546008537 1066941058 /nfs/dbraw/zinc/94/10/58/1066941058.db2.gz SGLQTPHDWFDQCI-CTNGQTDRSA-N 0 0 496.656 4.588 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492767883 1066941317 /nfs/dbraw/zinc/94/13/17/1066941317.db2.gz GCIRONYBQWKWRS-JYJNAYRXSA-N 0 0 461.035 4.956 20 0 JJADRN O=C(N[C@H]1CCCN(CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916822 1066941388 /nfs/dbraw/zinc/94/13/88/1066941388.db2.gz XKGGEAYCUKQCBC-INIZCTEOSA-N 0 0 453.389 4.612 20 0 JJADRN Cc1nnc(CCCn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)s1 ZINC001492767580 1066941385 /nfs/dbraw/zinc/94/13/85/1066941385.db2.gz VNCBRAGUVGYNKQ-UHFFFAOYSA-N 0 0 476.597 4.694 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 ZINC001448613937 1066941797 /nfs/dbraw/zinc/94/17/97/1066941797.db2.gz QHCFGWVRGHEAGZ-UHFFFAOYSA-N 0 0 455.921 4.808 20 0 JJADRN Cc1nc(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)sc1Cc1ccc(F)cc1F ZINC001448611181 1066941830 /nfs/dbraw/zinc/94/18/30/1066941830.db2.gz UWCKJXHXSPIMAO-URSPUVDMSA-N 0 0 463.550 4.952 20 0 JJADRN Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)c2cccs2)s1 ZINC001492768151 1066941888 /nfs/dbraw/zinc/94/18/88/1066941888.db2.gz OUDTXUUAQNQPDJ-INIZCTEOSA-N 0 0 481.651 4.809 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)s1 ZINC001492768293 1066942249 /nfs/dbraw/zinc/94/22/49/1066942249.db2.gz SORFCHVGKGBMKE-GJZGRUSLSA-N 0 0 487.630 4.656 20 0 JJADRN Cc1nnc(CCn2c(CC(C)C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 ZINC001492768850 1066942656 /nfs/dbraw/zinc/94/26/56/1066942656.db2.gz JWNNRFGKNWADSS-KRWDZBQOSA-N 0 0 459.689 4.843 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)C1CCCC1 ZINC001448617504 1066942714 /nfs/dbraw/zinc/94/27/14/1066942714.db2.gz SSSMRXUFSZVUOP-QHCPKHFHSA-N 0 0 452.595 4.991 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492769823 1066943041 /nfs/dbraw/zinc/94/30/41/1066943041.db2.gz IMYCRNHNUOMUQE-UHFFFAOYSA-N 0 0 464.998 4.534 20 0 JJADRN Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC001492770070 1066943183 /nfs/dbraw/zinc/94/31/83/1066943183.db2.gz NNJWRBYMHDZMQR-NYSBEXSLSA-N 0 0 472.634 4.936 20 0 JJADRN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)s1 ZINC001492769959 1066943227 /nfs/dbraw/zinc/94/32/27/1066943227.db2.gz MANPMXQWLJQETQ-UHFFFAOYSA-N 0 0 472.043 4.658 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)co1 ZINC001448618567 1066943335 /nfs/dbraw/zinc/94/33/35/1066943335.db2.gz DBZHCYHEMUBSCM-FPLPWBNLSA-N 0 0 455.942 4.827 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Br)cc3)nnc2N2CCCC[C@H](C)C2)s1 ZINC001492770293 1066943620 /nfs/dbraw/zinc/94/36/20/1066943620.db2.gz SANJZGYXZINZPN-HNNXBMFYSA-N 0 0 491.459 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2C1 ZINC001448621452 1066943738 /nfs/dbraw/zinc/94/37/38/1066943738.db2.gz MSGVOCCNECBYCF-UHFFFAOYSA-N 0 0 452.526 4.812 20 0 JJADRN CC[C@@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(F)cccc1Cl ZINC001457936778 1066943800 /nfs/dbraw/zinc/94/38/00/1066943800.db2.gz BFABKXGXQIWNOY-HXUWFJFHSA-N 0 0 453.963 4.891 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001448621455 1066943755 /nfs/dbraw/zinc/94/37/55/1066943755.db2.gz MTOBJDMFXVHZIE-FZMZJTMJSA-N 0 0 453.326 4.675 20 0 JJADRN Cc1nnc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492771285 1066943997 /nfs/dbraw/zinc/94/39/97/1066943997.db2.gz MZQPTJJVMZPKQT-OAHLLOKOSA-N 0 0 477.034 4.674 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492771506 1066944008 /nfs/dbraw/zinc/94/40/08/1066944008.db2.gz HVGPYIBEDUXAPV-UHFFFAOYSA-N 0 0 484.670 4.972 20 0 JJADRN CC(C)(C(=O)NCCCc1ccc2c(c1)OCCO2)c1csc(-c2cc(F)ccc2F)n1 ZINC001457940806 1066944305 /nfs/dbraw/zinc/94/43/05/1066944305.db2.gz CRJCHIFZJODOFY-UHFFFAOYSA-N 0 0 458.530 4.886 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC(C)C)n2Cc2c(C)sc(C)c2Br)CCO1 ZINC001546095271 1066944374 /nfs/dbraw/zinc/94/43/74/1066944374.db2.gz JRNYSFKDCAYEMS-FQEVSTJZSA-N 0 0 455.466 4.971 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cnc(OCc2ccccc2)cn1 ZINC001448622956 1066944455 /nfs/dbraw/zinc/94/44/55/1066944455.db2.gz XZOCYVXHOQYMLC-QAQDUYKDSA-N 0 0 456.315 4.633 20 0 JJADRN CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001457942905 1066944647 /nfs/dbraw/zinc/94/46/47/1066944647.db2.gz ZYWOZPGJXZTENT-OAHLLOKOSA-N 0 0 456.530 4.547 20 0 JJADRN Cc1cc2nc(NC(=O)c3ccc(-c4ccc(Br)cc4)s3)cc(N(C)C)n2n1 ZINC001457942007 1066944677 /nfs/dbraw/zinc/94/46/77/1066944677.db2.gz ZKBKCSVNBMTCLC-UHFFFAOYSA-N 0 0 456.369 4.847 20 0 JJADRN O=C(c1ccc(N2CCOCC2)cc1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001457942700 1066944694 /nfs/dbraw/zinc/94/46/94/1066944694.db2.gz HUFBPUNAXGXKEU-UHFFFAOYSA-N 0 0 455.480 4.780 20 0 JJADRN O=C(NC1CC1)c1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 ZINC001457942757 1066944703 /nfs/dbraw/zinc/94/47/03/1066944703.db2.gz IDENZYKDLSZAQL-UHFFFAOYSA-N 0 0 453.464 4.835 20 0 JJADRN CON(C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCCOc2ccccc21 ZINC001457941759 1066944756 /nfs/dbraw/zinc/94/47/56/1066944756.db2.gz CGKNDBIRWRLWKD-DEOSSOPVSA-N 0 0 458.558 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3c[nH]nc3-c3ccccc3F)cccc2C1 ZINC001448623723 1066944733 /nfs/dbraw/zinc/94/47/33/1066944733.db2.gz YAVPXNZFXMTAOE-UHFFFAOYSA-N 0 0 450.514 4.690 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C)C(C)(C)C2)s1 ZINC001492772044 1066944761 /nfs/dbraw/zinc/94/47/61/1066944761.db2.gz QDBJVTLVCUYHPT-GFCCVEGCSA-N 0 0 479.423 4.927 20 0 JJADRN C[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)n1C)c1noc(-c2ccccc2)n1 ZINC001457943708 1066945060 /nfs/dbraw/zinc/94/50/60/1066945060.db2.gz ZNVVWDHECUXRDR-AWEZNQCLSA-N 0 0 451.324 4.996 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC001457943870 1066945097 /nfs/dbraw/zinc/94/50/97/1066945097.db2.gz MSOBJHFVTXMEDR-FQEVSTJZSA-N 0 0 456.530 4.650 20 0 JJADRN Cc1nc(SCC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)[nH]c1Cc1ccccc1 ZINC001457945511 1066945114 /nfs/dbraw/zinc/94/51/14/1066945114.db2.gz DNJJMLRMESSQAA-IBGZPJMESA-N 0 0 450.391 4.558 20 0 JJADRN CC(C)C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)C(=O)OC(C)(C)C ZINC001457943452 1066945133 /nfs/dbraw/zinc/94/51/33/1066945133.db2.gz YEDJRQIPNRBBMG-KRWDZBQOSA-N 0 0 458.559 4.621 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492773385 1066945279 /nfs/dbraw/zinc/94/52/79/1066945279.db2.gz FIYMQYCWGWKMNO-CVEARBPZSA-N 0 0 472.684 4.693 20 0 JJADRN CC[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2C[C@]1(C)CCC2)NC(=O)OC(C)(C)C ZINC001546008356 1066945362 /nfs/dbraw/zinc/94/53/62/1066945362.db2.gz PFBWXYYGYHIVFP-GNMOFYLKSA-N 0 0 483.657 4.972 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492773553 1066945781 /nfs/dbraw/zinc/94/57/81/1066945781.db2.gz JYKLYWSGMWBTLL-UHFFFAOYSA-N 0 0 462.570 4.598 20 0 JJADRN CS(=O)(=O)[C@H]1CCCCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001448630124 1066945742 /nfs/dbraw/zinc/94/57/42/1066945742.db2.gz JMXOUWMZMDLOFP-RBBKRZOGSA-N 0 0 452.041 4.588 20 0 JJADRN CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n1 ZINC001448636658 1066945799 /nfs/dbraw/zinc/94/57/99/1066945799.db2.gz WIWOMXQWZUNRDR-HXUWFJFHSA-N 0 0 452.580 4.791 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1coc(-c2c(F)cccc2F)n1 ZINC001457946920 1066945873 /nfs/dbraw/zinc/94/58/73/1066945873.db2.gz AHWMFKIKOBOTCA-UHFFFAOYSA-N 0 0 451.404 4.941 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c2ccccc12 ZINC001457947893 1066946000 /nfs/dbraw/zinc/94/60/00/1066946000.db2.gz LFFWAERJAXAACZ-AWEZNQCLSA-N 0 0 458.308 4.560 20 0 JJADRN CS(=O)(=O)[C@H]1CCCCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001448630126 1066946029 /nfs/dbraw/zinc/94/60/29/1066946029.db2.gz JMXOUWMZMDLOFP-UNMCSNQZSA-N 0 0 452.041 4.588 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001492775899 1066946162 /nfs/dbraw/zinc/94/61/62/1066946162.db2.gz LXHMIVICSTVFIB-XVSDAANHSA-N 0 0 473.593 4.560 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)Cn1nc(C(F)F)cc1C1CC1)C1CCCCCC1 ZINC001457948799 1066946338 /nfs/dbraw/zinc/94/63/38/1066946338.db2.gz ABWOFMYWBHJMCV-UHFFFAOYSA-N 0 0 454.562 4.774 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001448648168 1066946273 /nfs/dbraw/zinc/94/62/73/1066946273.db2.gz KWQCNLOCVYFLBP-GOSISDBHSA-N 0 0 458.942 4.910 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCSc1ccccc1 ZINC001492775467 1066946485 /nfs/dbraw/zinc/94/64/85/1066946485.db2.gz AMDVICLZQRGKSJ-YOFSQIOKSA-N 0 0 457.644 4.746 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F)NC(=O)OC(C)(C)C ZINC001546008688 1066946700 /nfs/dbraw/zinc/94/67/00/1066946700.db2.gz VJCGATDKCHGYOE-SFHVURJKSA-N 0 0 494.562 4.973 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2)ccc1F ZINC001448652495 1066946808 /nfs/dbraw/zinc/94/68/08/1066946808.db2.gz QPXDPSXRGYSOEO-IBGZPJMESA-N 0 0 456.514 4.704 20 0 JJADRN Cc1cc(OC(=O)c2cnn(Cc3ccccc3)c2Br)ccc1Br ZINC001457951179 1066946778 /nfs/dbraw/zinc/94/67/78/1066946778.db2.gz XYZDGULVMQDEHT-UHFFFAOYSA-N 0 0 450.130 4.984 20 0 JJADRN CC(C)c1nn(C)cc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001448652366 1066946902 /nfs/dbraw/zinc/94/69/02/1066946902.db2.gz QAZDDSATNOJGRE-UHFFFAOYSA-N 0 0 455.356 4.740 20 0 JJADRN CN(C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448659704 1066947173 /nfs/dbraw/zinc/94/71/73/1066947173.db2.gz GYFMEHVRJPCHBU-QPPBQGQZSA-N 0 0 451.007 4.792 20 0 JJADRN COc1cccc(C2(NC(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)CCOCC2)c1F ZINC001448669509 1066947709 /nfs/dbraw/zinc/94/77/09/1066947709.db2.gz ATGIIYZWSLWZFK-UHFFFAOYSA-N 0 0 452.404 4.650 20 0 JJADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@](C)(O)c1ccccc1Cl ZINC001492782291 1066948136 /nfs/dbraw/zinc/94/81/36/1066948136.db2.gz GPQXGOXESBBQQD-SFHVURJKSA-N 0 0 455.809 4.608 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc3ccc(Br)cc3c2)C1 ZINC001457956690 1066948371 /nfs/dbraw/zinc/94/83/71/1066948371.db2.gz CYCQFEFUJNQMLN-JOCHJYFZSA-N 0 0 451.364 4.566 20 0 JJADRN Cc1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1CCSCC(F)(F)F ZINC001492784693 1066948723 /nfs/dbraw/zinc/94/87/23/1066948723.db2.gz MTGJPGOPFRDBFV-UHFFFAOYSA-N 0 0 457.497 4.745 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001457957545 1066948743 /nfs/dbraw/zinc/94/87/43/1066948743.db2.gz SRKSGDNAXXDQBS-BVFVYWQFSA-N 0 0 457.615 4.586 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)cc(Cl)c1OCC(C)C ZINC001457959688 1066948794 /nfs/dbraw/zinc/94/87/94/1066948794.db2.gz JEJSROZPHOEGHO-UHFFFAOYSA-N 0 0 453.930 4.684 20 0 JJADRN CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546008837 1066949013 /nfs/dbraw/zinc/94/90/13/1066949013.db2.gz XQFBQPFTLJNGRU-RBBKRZOGSA-N 0 0 485.673 4.760 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001448676587 1066949096 /nfs/dbraw/zinc/94/90/96/1066949096.db2.gz UYNWVQGDBJIDTC-GOSISDBHSA-N 0 0 456.505 4.521 20 0 JJADRN CCCc1c(NC(=O)c2ccccc2NC(=O)C2CC2)cnn1-c1cc(F)c(OC)cc1F ZINC001448676264 1066949193 /nfs/dbraw/zinc/94/91/93/1066949193.db2.gz OCAGRQRLMBIHFS-UHFFFAOYSA-N 0 0 454.477 4.712 20 0 JJADRN CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546008836 1066949237 /nfs/dbraw/zinc/94/92/37/1066949237.db2.gz XQFBQPFTLJNGRU-IRLDBZIGSA-N 0 0 485.673 4.760 20 0 JJADRN Cc1nnc(N(Cc2cccs2)Cc2cccs2)n1CCC(=O)NCc1ccccc1 ZINC001492789321 1066950111 /nfs/dbraw/zinc/95/01/11/1066950111.db2.gz UOUVMUYSJSOTJK-UHFFFAOYSA-N 0 0 451.621 4.623 20 0 JJADRN COCc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC001457972707 1066950248 /nfs/dbraw/zinc/95/02/48/1066950248.db2.gz YFMZUXQONMNSFY-LJQANCHMSA-N 0 0 453.366 4.932 20 0 JJADRN C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001448681225 1066950372 /nfs/dbraw/zinc/95/03/72/1066950372.db2.gz SWMIDQSCBVRXFC-GOSISDBHSA-N 0 0 453.404 4.970 20 0 JJADRN CC(C)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1O ZINC001457977825 1066950667 /nfs/dbraw/zinc/95/06/67/1066950667.db2.gz AMEDLDLQPXWZJX-UHFFFAOYSA-N 0 0 452.576 4.708 20 0 JJADRN Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492794038 1066950785 /nfs/dbraw/zinc/95/07/85/1066950785.db2.gz VESQJDACOONZEG-YYWHXJBOSA-N 0 0 475.659 4.794 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001492795509 1066951019 /nfs/dbraw/zinc/95/10/19/1066951019.db2.gz YDRUVGUSRPLLAF-HNNXBMFYSA-N 0 0 478.435 4.778 20 0 JJADRN CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001448687665 1066951266 /nfs/dbraw/zinc/95/12/66/1066951266.db2.gz HNFPPHJHASOVBG-PKOBYXMFSA-N 0 0 452.437 4.927 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001546008921 1066951301 /nfs/dbraw/zinc/95/13/01/1066951301.db2.gz ZMAASMSDIPNDAR-FCHUYYIVSA-N 0 0 496.656 4.542 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492797212 1066951280 /nfs/dbraw/zinc/95/12/80/1066951280.db2.gz XGXXIYIKJCCVCO-UHFFFAOYSA-N 0 0 464.589 4.545 20 0 JJADRN CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001448687641 1066951406 /nfs/dbraw/zinc/95/14/06/1066951406.db2.gz HNFPPHJHASOVBG-IEBWSBKVSA-N 0 0 452.437 4.927 20 0 JJADRN COc1ccc(CCNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1O ZINC001457981355 1066951538 /nfs/dbraw/zinc/95/15/38/1066951538.db2.gz HTSLTHFEHDQOKC-UHFFFAOYSA-N 0 0 455.561 4.572 20 0 JJADRN CCCNC(=O)Cc1csc(NC(=O)c2cc(NCc3ccccc3)nc3ccccc32)n1 ZINC001457982505 1066951633 /nfs/dbraw/zinc/95/16/33/1066951633.db2.gz TWCJNLJUFSIUDM-UHFFFAOYSA-N 0 0 459.575 4.624 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001492798417 1066951713 /nfs/dbraw/zinc/95/17/13/1066951713.db2.gz GEYRRJZGCSXPNS-SQNIBIBYSA-N 0 0 469.630 4.649 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001492798572 1066951814 /nfs/dbraw/zinc/95/18/14/1066951814.db2.gz IJFHHCMPLRXPEL-HNNXBMFYSA-N 0 0 467.536 4.783 20 0 JJADRN O=C(NCc1noc(-c2cccc(Br)c2)n1)/C(=C\c1ccccc1)C(F)(F)F ZINC001448689357 1066951784 /nfs/dbraw/zinc/95/17/84/1066951784.db2.gz VBVJGQIBGRNNAX-OQLLNIDSSA-N 0 0 452.230 4.761 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001492798663 1066952096 /nfs/dbraw/zinc/95/20/96/1066952096.db2.gz JYIAMUOLWYXLIP-KRWDZBQOSA-N 0 0 457.594 4.587 20 0 JJADRN Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492798866 1066952139 /nfs/dbraw/zinc/95/21/39/1066952139.db2.gz OASXFSVCPZNOPM-SJLPKXTDSA-N 0 0 479.316 4.590 20 0 JJADRN COc1ccc(C(=O)CCCCCC(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001448689989 1066952174 /nfs/dbraw/zinc/95/21/74/1066952174.db2.gz ZPQOWSYBMCVKFU-UHFFFAOYSA-N 0 0 458.599 4.830 20 0 JJADRN COc1cc(CCO)ccc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC001448691372 1066952269 /nfs/dbraw/zinc/95/22/69/1066952269.db2.gz WUQIMIGWAYKALW-UHFFFAOYSA-N 0 0 455.967 4.904 20 0 JJADRN COc1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc(Br)c1OC ZINC001457985626 1066952427 /nfs/dbraw/zinc/95/24/27/1066952427.db2.gz XVTAHNDOUABGEK-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)CC1 ZINC001457987828 1066952711 /nfs/dbraw/zinc/95/27/11/1066952711.db2.gz ZWHZSVHWRPEOTE-QFIPXVFZSA-N 0 0 455.961 4.723 20 0 JJADRN O=C([C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1CCn2c(nnc2C(F)F)C1 ZINC001448717246 1066952719 /nfs/dbraw/zinc/95/27/19/1066952719.db2.gz KJWQTZFCOGKUSN-KRWDZBQOSA-N 0 0 453.276 4.685 20 0 JJADRN Nc1cc(Br)ccc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448718407 1066953021 /nfs/dbraw/zinc/95/30/21/1066953021.db2.gz BQAGENIDGHMPMI-UHFFFAOYSA-N 0 0 451.364 4.822 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC001457989355 1066953166 /nfs/dbraw/zinc/95/31/66/1066953166.db2.gz ALMONWJFGFLNFY-UHFFFAOYSA-N 0 0 456.498 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCOCc1ccc(Cl)cc1 ZINC001457988378 1066953226 /nfs/dbraw/zinc/95/32/26/1066953226.db2.gz JSRSJGWZFOTBSH-NRSPTQNISA-N 0 0 451.007 4.931 20 0 JJADRN Cc1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492804560 1066953548 /nfs/dbraw/zinc/95/35/48/1066953548.db2.gz KIBYKCUHSKILDA-GMAHTHKFSA-N 0 0 471.621 4.974 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001492805594 1066954372 /nfs/dbraw/zinc/95/43/72/1066954372.db2.gz OZAGEPWMDDIQBT-LJQANCHMSA-N 0 0 485.526 4.949 20 0 JJADRN O=C(c1csc(Nc2cc(F)cc(F)c2)n1)N(CCc1ccccn1)Cc1cccnc1 ZINC001448725678 1066954367 /nfs/dbraw/zinc/95/43/67/1066954367.db2.gz XNFAPZPMRROMRS-UHFFFAOYSA-N 0 0 451.502 4.840 20 0 JJADRN Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1Cc1sccc1Br ZINC001492815061 1066954459 /nfs/dbraw/zinc/95/44/59/1066954459.db2.gz JMKYHQUDIKTOJA-UHFFFAOYSA-N 0 0 469.355 4.785 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492820369 1066954943 /nfs/dbraw/zinc/95/49/43/1066954943.db2.gz IJKVCTGWSLSWHV-VEDCXYSMSA-N 0 0 461.651 4.550 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(-c3ncco3)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001457999888 1066955126 /nfs/dbraw/zinc/95/51/26/1066955126.db2.gz NSQRXTSENJLJID-UHFFFAOYSA-N 0 0 453.564 4.631 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1OC ZINC001448739466 1066955354 /nfs/dbraw/zinc/95/53/54/1066955354.db2.gz PPMLZQVUFWTEPU-IAAVTCLWSA-N 0 0 454.405 4.648 20 0 JJADRN C[C@H](NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc(Br)cn1 ZINC001448744152 1066955678 /nfs/dbraw/zinc/95/56/78/1066955678.db2.gz FFGCUJNGGRRDIE-NSHDSACASA-N 0 0 454.246 4.824 20 0 JJADRN O=C(CSCC(=O)N1CCOCC1)Nc1ccc(Cl)cc1-c1cccc2ccccc21 ZINC001448749576 1066955800 /nfs/dbraw/zinc/95/58/00/1066955800.db2.gz GRVYCVSWTNVOBT-UHFFFAOYSA-N 0 0 454.979 4.691 20 0 JJADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492838262 1066955712 /nfs/dbraw/zinc/95/57/12/1066955712.db2.gz MJWDTMHTGALXFL-AQFXKWCLSA-N 0 0 484.954 4.859 20 0 JJADRN C[C@@](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)(c1ccccc1)C(F)(F)F ZINC001458002034 1066955956 /nfs/dbraw/zinc/95/59/56/1066955956.db2.gz JWWNUVIJPVEPHX-QGZVFWFLSA-N 0 0 458.303 4.963 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001448771593 1066956184 /nfs/dbraw/zinc/95/61/84/1066956184.db2.gz INBQQQQIVDPIQT-CQSZACIVSA-N 0 0 451.354 4.616 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1OC(F)F ZINC001492839345 1066956336 /nfs/dbraw/zinc/95/63/36/1066956336.db2.gz SWIZAVNEMHAXCC-APWZRJJASA-N 0 0 479.572 4.560 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)n1 ZINC001458012833 1066956620 /nfs/dbraw/zinc/95/66/20/1066956620.db2.gz OVZVFKCYDHYDGK-UHFFFAOYSA-N 0 0 455.356 4.583 20 0 JJADRN CCOC(=O)[C@@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001458013687 1066956763 /nfs/dbraw/zinc/95/67/63/1066956763.db2.gz RRGKUZNJAJXVLT-QFIPXVFZSA-N 0 0 451.954 4.679 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC001458013214 1066956780 /nfs/dbraw/zinc/95/67/80/1066956780.db2.gz LKQAALFHMIAGDK-UWJYYQICSA-N 0 0 456.533 4.864 20 0 JJADRN CCOC(=O)[C@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001458013683 1066956790 /nfs/dbraw/zinc/95/67/90/1066956790.db2.gz RRGKUZNJAJXVLT-JOCHJYFZSA-N 0 0 451.954 4.679 20 0 JJADRN COc1ccc(C(=O)O[C@@H](c2nccs2)c2ccccc2)c(I)c1 ZINC001458013901 1066956822 /nfs/dbraw/zinc/95/68/22/1066956822.db2.gz PWGGXPQVPDULSM-MRXNPFEDSA-N 0 0 451.285 4.703 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)c2ccnc(-c3ccccc3)c2N)CC1(C)C ZINC001448777143 1066957066 /nfs/dbraw/zinc/95/70/66/1066957066.db2.gz UULMYKMPRYCROI-UHFFFAOYSA-N 0 0 451.368 4.969 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1NC(=O)Nc1ccccc1 ZINC001458015334 1066957096 /nfs/dbraw/zinc/95/70/96/1066957096.db2.gz CQGSLGUMMPMHTJ-HSZRJFAPSA-N 0 0 456.546 4.560 20 0 JJADRN COc1ccc(F)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001458016606 1066957119 /nfs/dbraw/zinc/95/71/19/1066957119.db2.gz XMQZGIXESKJVKA-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN CC(=O)N1CC[C@H](NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c2ccccc21 ZINC001458017005 1066957187 /nfs/dbraw/zinc/95/71/87/1066957187.db2.gz GCXNWTBOIZMHHF-IBGZPJMESA-N 0 0 455.967 4.912 20 0 JJADRN O=C(c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001448782649 1066957587 /nfs/dbraw/zinc/95/75/87/1066957587.db2.gz BKSLIMHCNGSVTP-UHFFFAOYSA-N 0 0 455.820 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cc(Br)cnc1Cl)C2 ZINC001458022967 1066957606 /nfs/dbraw/zinc/95/76/06/1066957606.db2.gz LFZPDMVYEITIRI-LJQANCHMSA-N 0 0 458.784 4.503 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(COC(C)(C)C)on2)CCO1 ZINC001546096091 1066958153 /nfs/dbraw/zinc/95/81/53/1066958153.db2.gz ZTAWKLSXBUPJIO-RUZDIDTESA-N 0 0 488.032 4.879 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C(F)(F)F ZINC001492849744 1066958180 /nfs/dbraw/zinc/95/81/80/1066958180.db2.gz WHEGRLLZJUJPDG-KRWDZBQOSA-N 0 0 467.536 4.737 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2ccccc21 ZINC001492851520 1066958438 /nfs/dbraw/zinc/95/84/38/1066958438.db2.gz FHYLMMAYILXKEL-UXHICEINSA-N 0 0 475.584 4.788 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492852638 1066958911 /nfs/dbraw/zinc/95/89/11/1066958911.db2.gz TWGLUYXXBVOCBQ-SFHVURJKSA-N 0 0 455.628 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC001448807826 1066959079 /nfs/dbraw/zinc/95/90/79/1066959079.db2.gz BAQHTLAISNJUER-GOSISDBHSA-N 0 0 456.974 4.717 20 0 JJADRN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001458042158 1066959449 /nfs/dbraw/zinc/95/94/49/1066959449.db2.gz PORVIBAHNFIIKB-AWEZNQCLSA-N 0 0 459.461 4.937 20 0 JJADRN NC(=O)N1CCc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)cc21 ZINC001448814574 1066959404 /nfs/dbraw/zinc/95/94/04/1066959404.db2.gz NFEKRMKPLMTYQV-UHFFFAOYSA-N 0 0 454.313 4.918 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC001458041098 1066959498 /nfs/dbraw/zinc/95/94/98/1066959498.db2.gz RUTYKWGHOCCMLK-LBPRGKRZSA-N 0 0 454.754 4.807 20 0 JJADRN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001448822579 1066959873 /nfs/dbraw/zinc/95/98/73/1066959873.db2.gz IBHPRMGTJZXVMN-NRFANRHFSA-N 0 0 455.942 4.883 20 0 JJADRN COC(=O)c1cc(F)c(C)c(OC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001458042599 1066959848 /nfs/dbraw/zinc/95/98/48/1066959848.db2.gz ICXCDYDMFORKFK-UHFFFAOYSA-N 0 0 451.166 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC001458044971 1066959894 /nfs/dbraw/zinc/95/98/94/1066959894.db2.gz RXBRRSSYQXXSLN-AWEZNQCLSA-N 0 0 450.377 4.697 20 0 JJADRN CSc1ccccc1CN(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001448825465 1066960017 /nfs/dbraw/zinc/96/00/17/1066960017.db2.gz ZEGDRRGAJLZIFL-UHFFFAOYSA-N 0 0 459.662 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC001458044975 1066960036 /nfs/dbraw/zinc/96/00/36/1066960036.db2.gz RXBRRSSYQXXSLN-CQSZACIVSA-N 0 0 450.377 4.697 20 0 JJADRN CCCc1c(C(=O)N2CCOc3c(Br)cccc3C2)cnn1-c1cccc(F)c1 ZINC001448826131 1066960286 /nfs/dbraw/zinc/96/02/86/1066960286.db2.gz ILQGIHFPQPOEPJ-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001458046242 1066960382 /nfs/dbraw/zinc/96/03/82/1066960382.db2.gz VJPBLHGFMUHHPD-VGSWGCGISA-N 0 0 452.382 4.577 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448832870 1066960710 /nfs/dbraw/zinc/96/07/10/1066960710.db2.gz BOLYCLQXLGHBNT-HOCLYGCPSA-N 0 0 451.539 4.691 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492943128 1066960813 /nfs/dbraw/zinc/96/08/13/1066960813.db2.gz OXMLUCFAUAFHRB-VXKWHMMOSA-N 0 0 490.048 4.998 20 0 JJADRN CN(CC(=O)N(c1ccccc1)c1ncccc1Br)C(=O)OCc1ccccc1 ZINC001458047914 1066960777 /nfs/dbraw/zinc/96/07/77/1066960777.db2.gz VFMFWCQGWMGTNZ-UHFFFAOYSA-N 0 0 454.324 4.777 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492947246 1066961186 /nfs/dbraw/zinc/96/11/86/1066961186.db2.gz DMKATMFRSHWVJV-OAHLLOKOSA-N 0 0 475.899 4.675 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)nn1 ZINC001458050087 1066961188 /nfs/dbraw/zinc/96/11/88/1066961188.db2.gz QQTXZUMRKNUTNK-UHFFFAOYSA-N 0 0 455.234 4.743 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)N(C)C(=O)OC(C)(C)C ZINC001448834749 1066961169 /nfs/dbraw/zinc/96/11/69/1066961169.db2.gz WWCWVYSJWGBCSG-GFCCVEGCSA-N 0 0 455.271 4.932 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448836044 1066961332 /nfs/dbraw/zinc/96/13/32/1066961332.db2.gz DPZAMUAISCOCNQ-XLIONFOSSA-N 0 0 453.583 4.952 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1Cc1sccc1Br ZINC001492946993 1066961261 /nfs/dbraw/zinc/96/12/61/1066961261.db2.gz CARSEKOFCSXZHN-LBPRGKRZSA-N 0 0 459.822 4.752 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492947244 1066961276 /nfs/dbraw/zinc/96/12/76/1066961276.db2.gz DMKATMFRSHWVJV-HNNXBMFYSA-N 0 0 475.899 4.675 20 0 JJADRN CCc1c(NC(=O)/C=C\c2cc(Br)c(O)c(OC)c2)cnn1-c1cccc(C)c1 ZINC001448837940 1066961778 /nfs/dbraw/zinc/96/17/78/1066961778.db2.gz NCBKUKPYMHGMLD-HJWRWDBZSA-N 0 0 456.340 4.872 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001492948935 1066961687 /nfs/dbraw/zinc/96/16/87/1066961687.db2.gz NFOUJWGUPQOGQP-MRXNPFEDSA-N 0 0 472.920 4.869 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001492947463 1066961871 /nfs/dbraw/zinc/96/18/71/1066961871.db2.gz FNTXOMGSPKJZAU-IBGZPJMESA-N 0 0 499.896 4.536 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492948345 1066961883 /nfs/dbraw/zinc/96/18/83/1066961883.db2.gz JKZMGDOOMGBEIU-IRXDYDNUSA-N 0 0 482.050 4.526 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC001458053593 1066962021 /nfs/dbraw/zinc/96/20/21/1066962021.db2.gz DFDSOSQWIFVMLF-YOEHRIQHSA-N 0 0 455.393 4.718 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001448840447 1066962066 /nfs/dbraw/zinc/96/20/66/1066962066.db2.gz AKMBBNATZJDBGQ-LJQANCHMSA-N 0 0 459.315 4.808 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCN1C(=O)OC(C)(C)C ZINC001448841364 1066962173 /nfs/dbraw/zinc/96/21/73/1066962173.db2.gz JHAFAVROXJBZPW-NEPJUHHUSA-N 0 0 454.340 4.587 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(C)c1OCc1cccnc1 ZINC001448840213 1066962223 /nfs/dbraw/zinc/96/22/23/1066962223.db2.gz HQNBHBPMVWPIFI-UGKGYDQZSA-N 0 0 453.583 4.795 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC001448840122 1066962235 /nfs/dbraw/zinc/96/22/35/1066962235.db2.gz HJIBPAVEPPWREG-UKILVPOCSA-N 0 0 450.604 4.929 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC001458052976 1066962138 /nfs/dbraw/zinc/96/21/38/1066962138.db2.gz WMFKTOIMWDFCBJ-ZIAGYGMSSA-N 0 0 452.502 4.977 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1ccc(Cl)s1 ZINC001492956709 1066962171 /nfs/dbraw/zinc/96/21/71/1066962171.db2.gz UDZFIEUOTGYNDF-HNNXBMFYSA-N 0 0 452.049 4.876 20 0 JJADRN Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001492966971 1066962215 /nfs/dbraw/zinc/96/22/15/1066962215.db2.gz FNKPMRVVQBWHHN-GMAHTHKFSA-N 0 0 469.630 4.505 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1ccccc1OC(F)F ZINC001492956306 1066962325 /nfs/dbraw/zinc/96/23/25/1066962325.db2.gz QZVPETIIUCLRAE-GOSISDBHSA-N 0 0 477.581 4.763 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2s1 ZINC001448842259 1066962485 /nfs/dbraw/zinc/96/24/85/1066962485.db2.gz KLBBUETZOQIMRE-UONOGXRCSA-N 0 0 452.646 4.722 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(Cl)c1OCC(C)C ZINC001448843654 1066963018 /nfs/dbraw/zinc/96/30/18/1066963018.db2.gz MDUIKIZXZPIFOP-RDJZCZTQSA-N 0 0 454.995 4.901 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC001458056513 1066963120 /nfs/dbraw/zinc/96/31/20/1066963120.db2.gz AJVBYGOOXFYECE-UHFFFAOYSA-N 0 0 456.255 4.939 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001545695954 1066963110 /nfs/dbraw/zinc/96/31/10/1066963110.db2.gz HCKKWROGVFYFOF-UXHICEINSA-N 0 0 462.598 4.697 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCCCC1 ZINC001545695985 1066963132 /nfs/dbraw/zinc/96/31/32/1066963132.db2.gz HOJVXCCJSZGYIK-GOSISDBHSA-N 0 0 450.587 4.674 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545696857 1066963142 /nfs/dbraw/zinc/96/31/42/1066963142.db2.gz WMONRHKLMFJTSA-NRFANRHFSA-N 0 0 474.653 4.820 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001545697272 1066963546 /nfs/dbraw/zinc/96/35/46/1066963546.db2.gz GXHNKKONXHJCJG-UUOWRZLLSA-N 0 0 450.966 4.996 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001545697525 1066963575 /nfs/dbraw/zinc/96/35/75/1066963575.db2.gz PKGYKSFTRDGMLM-JTSKRJEESA-N 0 0 452.551 4.664 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458057188 1066963591 /nfs/dbraw/zinc/96/35/91/1066963591.db2.gz QESJJTSJMQHOCF-CYBMUJFWSA-N 0 0 452.429 4.672 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001545699454 1066963834 /nfs/dbraw/zinc/96/38/34/1066963834.db2.gz WUHLPNNWMKDJLI-AWEZNQCLSA-N 0 0 468.465 4.701 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001545699455 1066963929 /nfs/dbraw/zinc/96/39/29/1066963929.db2.gz WUHLPNNWMKDJLI-CQSZACIVSA-N 0 0 468.465 4.701 20 0 JJADRN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 ZINC001458059754 1066964466 /nfs/dbraw/zinc/96/44/66/1066964466.db2.gz YOFUWHAWSYJDLE-UHFFFAOYSA-N 0 0 455.452 4.661 20 0 JJADRN COc1ccc2c(C)cc3nnc(Sc4ccc(S(=O)(=O)C(F)(F)F)cc4)n3c2c1 ZINC001458060854 1066964486 /nfs/dbraw/zinc/96/44/86/1066964486.db2.gz RSYNQBWNAPZPCA-UHFFFAOYSA-N 0 0 453.467 4.644 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 ZINC001545701598 1066964437 /nfs/dbraw/zinc/96/44/37/1066964437.db2.gz MUIOQFSRFLLEFP-AWEZNQCLSA-N 0 0 470.481 4.632 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001458062301 1066964922 /nfs/dbraw/zinc/96/49/22/1066964922.db2.gz OUSYRLCPHNYXJA-QZTJIDSGSA-N 0 0 452.551 4.799 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@@H](CO)c3ccc(Cl)cc3)C2)n1 ZINC001448862958 1066965274 /nfs/dbraw/zinc/96/52/74/1066965274.db2.gz WFVGOOVLTPXFKH-PXNSSMCTSA-N 0 0 456.995 4.954 20 0 JJADRN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1OCc1ccc(F)cc1 ZINC001458063305 1066965381 /nfs/dbraw/zinc/96/53/81/1066965381.db2.gz KGOMKCVSXHDJID-KRWDZBQOSA-N 0 0 456.876 4.733 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nc(-c2cccnc2)ns1 ZINC001458065577 1066965416 /nfs/dbraw/zinc/96/54/16/1066965416.db2.gz BASCIXPVTGXMEP-UHFFFAOYSA-N 0 0 459.362 4.891 20 0 JJADRN Cc1ccc(-n2c(Sc3nc(N(C)C)cc(C(F)(F)F)n3)nc3ccccc3c2=O)cc1 ZINC001458063263 1066965444 /nfs/dbraw/zinc/96/54/44/1066965444.db2.gz VDLMETRDAAJVCJ-UHFFFAOYSA-N 0 0 457.481 4.720 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001545703746 1066965603 /nfs/dbraw/zinc/96/56/03/1066965603.db2.gz LXASXAYJYDVJLS-HZPDHXFCSA-N 0 0 461.582 4.711 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)[C@@H](C)n3cnc4c3ncnc4N)c2)cc1 ZINC001545702999 1066965687 /nfs/dbraw/zinc/96/56/87/1066965687.db2.gz WBKCOVBZROBARC-ZWKOTPCHSA-N 0 0 458.566 4.643 20 0 JJADRN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001448868273 1066965993 /nfs/dbraw/zinc/96/59/93/1066965993.db2.gz FKFKDRRXDJFZAM-HSZRJFAPSA-N 0 0 457.933 4.688 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001545704366 1066965944 /nfs/dbraw/zinc/96/59/44/1066965944.db2.gz XSWGLPOEWWKRPR-DENIHFKCSA-N 0 0 451.640 4.885 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001546010255 1066966273 /nfs/dbraw/zinc/96/62/73/1066966273.db2.gz IWGBXEBJVRVPSJ-FYYLOGMGSA-N 0 0 466.630 4.789 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 ZINC001546010242 1066966452 /nfs/dbraw/zinc/96/64/52/1066966452.db2.gz IPTWROLTPFSZQS-RXFWQSSRSA-N 0 0 481.666 4.859 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC001545704969 1066966407 /nfs/dbraw/zinc/96/64/07/1066966407.db2.gz NKJWTCYTJMXOTC-OAHLLOKOSA-N 0 0 452.971 4.645 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001545705428 1066966497 /nfs/dbraw/zinc/96/64/97/1066966497.db2.gz ABTBMECVRKDOQC-PZJWPPBQSA-N 0 0 489.611 4.650 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001545705612 1066966734 /nfs/dbraw/zinc/96/67/34/1066966734.db2.gz CZMSNDWUPZKVRW-FCHUYYIVSA-N 0 0 455.647 4.651 20 0 JJADRN CCOc1cc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc(Cl)c1O ZINC001448882486 1066966826 /nfs/dbraw/zinc/96/68/26/1066966826.db2.gz BJSOIKKOTOJYGS-MRXNPFEDSA-N 0 0 453.764 4.924 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)c2ccccc2OC(F)(F)F)nc(N2CCCCC2)n1 ZINC001458070833 1066966960 /nfs/dbraw/zinc/96/69/60/1066966960.db2.gz RJFQQDOVQUPTSR-UHFFFAOYSA-N 0 0 450.505 4.972 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001545705635 1066967098 /nfs/dbraw/zinc/96/70/98/1066967098.db2.gz DHCJNVKTCRCMOE-LAUBAEHRSA-N 0 0 460.022 4.584 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001545706011 1066967176 /nfs/dbraw/zinc/96/71/76/1066967176.db2.gz KJGYKWLQRKEYJX-OALUTQOASA-N 0 0 481.563 4.557 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C)CC1 ZINC001545706176 1066967529 /nfs/dbraw/zinc/96/75/29/1066967529.db2.gz NIIGCWGTELDRBW-FQEVSTJZSA-N 0 0 453.631 4.616 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458074158 1066967751 /nfs/dbraw/zinc/96/77/51/1066967751.db2.gz GYWOJBDOTZUZHK-IEBWSBKVSA-N 0 0 452.864 4.937 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001545706204 1066967660 /nfs/dbraw/zinc/96/76/60/1066967660.db2.gz NUKCSTMUEVJJMR-OEMFJLHTSA-N 0 0 451.659 4.917 20 0 JJADRN C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001448893794 1066968110 /nfs/dbraw/zinc/96/81/10/1066968110.db2.gz ORRHECFLFMVGLF-BBRMVZONSA-N 0 0 451.350 4.717 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001545706801 1066968732 /nfs/dbraw/zinc/96/87/32/1066968732.db2.gz YNWIGQWFACENDU-YUXAGFNASA-N 0 0 455.647 4.794 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C ZINC001545708259 1066969031 /nfs/dbraw/zinc/96/90/31/1066969031.db2.gz FTIVTIBFZWEZPP-JDKSZYQJSA-N 0 0 467.658 4.625 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001545708242 1066969057 /nfs/dbraw/zinc/96/90/57/1066969057.db2.gz FQYGGZFTUSHQSQ-MOPGFXCFSA-N 0 0 473.687 4.756 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C ZINC001545708260 1066969069 /nfs/dbraw/zinc/96/90/69/1066969069.db2.gz FTIVTIBFZWEZPP-OMXLDXBASA-N 0 0 467.658 4.625 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001545709291 1066969360 /nfs/dbraw/zinc/96/93/60/1066969360.db2.gz ZCLJUHUXWXLDIL-KHYDEXNFSA-N 0 0 459.679 4.661 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001546010472 1066969742 /nfs/dbraw/zinc/96/97/42/1066969742.db2.gz MKJHOVYPUUHAOF-HXUWFJFHSA-N 0 0 469.630 4.849 20 0 JJADRN O=C(Nc1cccnc1OCC(F)F)c1ccc(COc2cccc(Br)c2)o1 ZINC001458079856 1066969697 /nfs/dbraw/zinc/96/96/97/1066969697.db2.gz BHMGHGXETLFRDQ-UHFFFAOYSA-N 0 0 453.239 4.912 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1OC ZINC001448921169 1066969962 /nfs/dbraw/zinc/96/99/62/1066969962.db2.gz LACDMVJYDYYAIC-YOEHRIQHSA-N 0 0 452.482 4.627 20 0 JJADRN CCN1CCc2nc3ccccc3c(C(=O)N(C)Cc3ccc(F)cc3Br)c2C1 ZINC001448920270 1066970156 /nfs/dbraw/zinc/97/01/56/1066970156.db2.gz IYRUBSBZFHOCFI-UHFFFAOYSA-N 0 0 456.359 4.787 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)C)CC1 ZINC001545711388 1066970233 /nfs/dbraw/zinc/97/02/33/1066970233.db2.gz SBZTWLNKVYEFOO-IBGZPJMESA-N 0 0 498.672 4.505 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001545711959 1066970275 /nfs/dbraw/zinc/97/02/75/1066970275.db2.gz HAJLXGYOVAHXDH-UDIPQKBFSA-N 0 0 455.476 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001448927674 1066970651 /nfs/dbraw/zinc/97/06/51/1066970651.db2.gz DZPSTSWSYDJFGV-SFHVURJKSA-N 0 0 456.505 4.521 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCc1cccc(CO)c1 ZINC001545716560 1066970943 /nfs/dbraw/zinc/97/09/43/1066970943.db2.gz UDACQHJDIVYOCT-UHFFFAOYSA-N 0 0 451.514 4.756 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCc2ccc(-c3ccco3)cc2F)cc1 ZINC001448927805 1066971077 /nfs/dbraw/zinc/97/10/77/1066971077.db2.gz WTBZXNRQNGQANY-HSZRJFAPSA-N 0 0 451.542 4.924 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)cc1 ZINC001448929820 1066971123 /nfs/dbraw/zinc/97/11/23/1066971123.db2.gz ICGYDSBZDOQERZ-AVRDEDQJSA-N 0 0 454.357 4.956 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545717185 1066971754 /nfs/dbraw/zinc/97/17/54/1066971754.db2.gz HGBFUEUVWNWBLE-WQUSHXLTSA-N 0 0 490.714 4.673 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC001545717194 1066971866 /nfs/dbraw/zinc/97/18/66/1066971866.db2.gz HLHIJJBZCLSJAY-RZUBCFFCSA-N 0 0 452.672 4.857 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)cc2c1Br ZINC001448935226 1066971916 /nfs/dbraw/zinc/97/19/16/1066971916.db2.gz MCPZTROYMPYIBD-HNNXBMFYSA-N 0 0 457.246 4.601 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Br)o2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458092268 1066972271 /nfs/dbraw/zinc/97/22/71/1066972271.db2.gz FUWPKMVNDQYJAK-LBPRGKRZSA-N 0 0 453.308 4.967 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(SC)c4)C3)ccc2s1 ZINC001458092726 1066972624 /nfs/dbraw/zinc/97/26/24/1066972624.db2.gz HNPHKUIAPLPWPB-HNNXBMFYSA-N 0 0 454.573 4.792 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1)OC ZINC001546010729 1066972706 /nfs/dbraw/zinc/97/27/06/1066972706.db2.gz QRZJXQMPBCZKRV-VQTJNVASSA-N 0 0 455.628 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)cc21 ZINC001546096922 1066972784 /nfs/dbraw/zinc/97/27/84/1066972784.db2.gz YAYYWUZENGVLJL-ZDUSSCGKSA-N 0 0 456.877 4.750 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](SC)C1)Oc1ccccc1F ZINC001546010710 1066972834 /nfs/dbraw/zinc/97/28/34/1066972834.db2.gz QIBIWVONLWVMHJ-NHCUHLMSSA-N 0 0 486.661 4.858 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001545719193 1066973012 /nfs/dbraw/zinc/97/30/12/1066973012.db2.gz CBCNLCYVRSTCQZ-OHUMZHCVSA-N 0 0 458.672 4.660 20 0 JJADRN 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UBXVYSLUOTZFMQ-RBBKRZOGSA-N 0 0 450.631 4.882 20 0 JJADRN C[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1cccc(OCc2ccccc2)c1 ZINC001448969314 1066974429 /nfs/dbraw/zinc/97/44/29/1066974429.db2.gz WCGXLRGQDMTORJ-PVERMEFCSA-N 0 0 450.579 4.946 20 0 JJADRN Cc1nc2ccccc2n1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC001458098683 1066974542 /nfs/dbraw/zinc/97/45/42/1066974542.db2.gz ZHAHASHCGPNTKB-MRXNPFEDSA-N 0 0 452.530 4.656 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1 ZINC001545720450 1066974862 /nfs/dbraw/zinc/97/48/62/1066974862.db2.gz XEIIQFNZWVCQEX-FCHUYYIVSA-N 0 0 476.673 4.803 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001448977359 1066974830 /nfs/dbraw/zinc/97/48/30/1066974830.db2.gz DTLFBQMOACVSOZ-HXUWFJFHSA-N 0 0 451.007 4.636 20 0 JJADRN Cc1c2ccc(F)cc2sc1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001448977488 1066974916 /nfs/dbraw/zinc/97/49/16/1066974916.db2.gz UUZQYCKBYWYAJP-UHFFFAOYSA-N 0 0 455.536 4.938 20 0 JJADRN C[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458100190 1066974914 /nfs/dbraw/zinc/97/49/14/1066974914.db2.gz AGCDEGVWNNGHCZ-NTKDMRAZSA-N 0 0 457.998 4.830 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](C)Cc2ccc(OC)cc2)CCO1 ZINC001546097463 1066974996 /nfs/dbraw/zinc/97/49/96/1066974996.db2.gz KWLSSPLRNQACTG-KBMIEXCESA-N 0 0 454.640 4.823 20 0 JJADRN CCN(CC(=O)N1CCC[C@](C)(OC)CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001448980682 1066975339 /nfs/dbraw/zinc/97/53/39/1066975339.db2.gz DIKTZTGSBBSIQP-MHZLTWQESA-N 0 0 450.579 4.675 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001448981124 1066975370 /nfs/dbraw/zinc/97/53/70/1066975370.db2.gz GFAQAPYWRLTALM-QGZVFWFLSA-N 0 0 452.530 4.630 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545721563 1066975635 /nfs/dbraw/zinc/97/56/35/1066975635.db2.gz BZCDTVNTKIBOBH-DEOSSOPVSA-N 0 0 484.652 4.879 20 0 JJADRN Cc1nc(-c2ncccn2)sc1C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458101811 1066975689 /nfs/dbraw/zinc/97/56/89/1066975689.db2.gz LYPKCTSQMNHDJJ-UHFFFAOYSA-N 0 0 457.397 4.913 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)NCC3(c4cccc(Br)c4)CCCC3)cn2)n1 ZINC001458101763 1066975835 /nfs/dbraw/zinc/97/58/35/1066975835.db2.gz KNXGVRNIHBWLRF-UHFFFAOYSA-N 0 0 453.384 4.888 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001546010879 1066975881 /nfs/dbraw/zinc/97/58/81/1066975881.db2.gz UHLYBZCRUUEOGU-MJGOQNOKSA-N 0 0 477.030 4.883 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@H](c2ccccc2)C(C)(C)CO)nnc1-c1ccccc1 ZINC001448992008 1066975894 /nfs/dbraw/zinc/97/58/94/1066975894.db2.gz AAXQNCORVJKDQD-XMSQKQJNSA-N 0 0 452.624 4.884 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545721929 1066976439 /nfs/dbraw/zinc/97/64/39/1066976439.db2.gz JXEMMWWFCHDOKF-JOCHJYFZSA-N 0 0 464.614 4.718 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545721927 1066976452 /nfs/dbraw/zinc/97/64/52/1066976452.db2.gz JWPUOKJPNAIOHS-QTYPKTMWSA-N 0 0 457.644 4.608 20 0 JJADRN C[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458103753 1066976488 /nfs/dbraw/zinc/97/64/88/1066976488.db2.gz HXAUUQHJYYWNER-NLFFAJNJSA-N 0 0 455.570 4.607 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc21)c1ccc(F)cc1 ZINC001449001192 1066976570 /nfs/dbraw/zinc/97/65/70/1066976570.db2.gz OQCUZFOVMPZKKU-JOCHJYFZSA-N 0 0 452.526 4.899 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545721928 1066976583 /nfs/dbraw/zinc/97/65/83/1066976583.db2.gz JWPUOKJPNAIOHS-WEZXKFLESA-N 0 0 457.644 4.608 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1 ZINC001545722031 1066976781 /nfs/dbraw/zinc/97/67/81/1066976781.db2.gz MEEFUHJQGMPINW-QPPBQGQZSA-N 0 0 462.642 4.581 20 0 JJADRN CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC001449008009 1066977036 /nfs/dbraw/zinc/97/70/36/1066977036.db2.gz ZPZJFJVANFARNM-UHFFFAOYSA-N 0 0 455.723 4.844 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458105602 1066977312 /nfs/dbraw/zinc/97/73/12/1066977312.db2.gz OUAALHBSRMEAJZ-BTYIYWSLSA-N 0 0 450.348 4.952 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545722183 1066977670 /nfs/dbraw/zinc/97/76/70/1066977670.db2.gz PYOGAQVWBCRKCK-IEIRFRATSA-N 0 0 480.682 4.775 20 0 JJADRN CC[C@@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC001449022116 1066977750 /nfs/dbraw/zinc/97/77/50/1066977750.db2.gz YMOPSSSLQMXGEB-OXTHUFEASA-N 0 0 455.368 4.740 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449024665 1066977776 /nfs/dbraw/zinc/97/77/76/1066977776.db2.gz JUKSFTCIAJGKPP-ARWYELJZSA-N 0 0 456.414 4.724 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001449036926 1066978069 /nfs/dbraw/zinc/97/80/69/1066978069.db2.gz YUNRDPYRQVUUFS-HKUYNNGSSA-N 0 0 451.350 4.884 20 0 JJADRN C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458109060 1066978218 /nfs/dbraw/zinc/97/82/18/1066978218.db2.gz VIHFTZSODMDARB-OSPHWJPCSA-N 0 0 456.970 4.522 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545722434 1066978269 /nfs/dbraw/zinc/97/82/69/1066978269.db2.gz UNHLQJUWIFRUSU-XMMPIXPASA-N 0 0 473.625 4.729 20 0 JJADRN CCc1ccc(O)c(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1 ZINC001449038914 1066978764 /nfs/dbraw/zinc/97/87/64/1066978764.db2.gz CMDHGTZWQFDPQX-UHFFFAOYSA-N 0 0 456.340 4.787 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545722736 1066978786 /nfs/dbraw/zinc/97/87/86/1066978786.db2.gz ZZAVWNAZKGINER-OAQYLSRUSA-N 0 0 466.655 4.624 20 0 JJADRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449048060 1066979373 /nfs/dbraw/zinc/97/93/73/1066979373.db2.gz VOQHBXXJKQYHCF-UHFFFAOYSA-N 0 0 455.888 4.973 20 0 JJADRN C[C@@H](O)[C@@](C)(CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)Cc1ccccc1 ZINC001449047998 1066979407 /nfs/dbraw/zinc/97/94/07/1066979407.db2.gz OOPREQOERODHKU-QVKFZJNVSA-N 0 0 450.804 4.880 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(C)on2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545723780 1066979664 /nfs/dbraw/zinc/97/96/64/1066979664.db2.gz FSQHMHQERCWMED-OAQYLSRUSA-N 0 0 489.567 4.584 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CCCC(F)(F)F)c2)cc1 ZINC001449052177 1066979786 /nfs/dbraw/zinc/97/97/86/1066979786.db2.gz QRPWKQDRMRJYNA-HNNXBMFYSA-N 0 0 458.502 4.655 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccnc(SC)c1)c1ccccc1 ZINC001545724004 1066979876 /nfs/dbraw/zinc/97/98/76/1066979876.db2.gz KKBADQTYXMIADZ-QFIPXVFZSA-N 0 0 481.666 4.821 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c(C)c1C ZINC001449060453 1066980302 /nfs/dbraw/zinc/98/03/02/1066980302.db2.gz DLBJNEMZGBWVAK-BJKOFHAPSA-N 0 0 456.652 4.740 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545724134 1066980309 /nfs/dbraw/zinc/98/03/09/1066980309.db2.gz MJUJPURDVUGNNS-XMMPIXPASA-N 0 0 453.675 4.947 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545724117 1066980366 /nfs/dbraw/zinc/98/03/66/1066980366.db2.gz MCZWJPOPGZQPDH-IRXDYDNUSA-N 0 0 457.363 4.813 20 0 JJADRN CC(C)CCn1ncc(NC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)c1C(C)C ZINC001449058584 1066980467 /nfs/dbraw/zinc/98/04/67/1066980467.db2.gz ZKFSDFKEMBFBPH-KRWDZBQOSA-N 0 0 458.607 4.861 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CCCCC2)n1C[C@@H](C)CN1CCOCC1)c1ccccc1 ZINC001545724215 1066980541 /nfs/dbraw/zinc/98/05/41/1066980541.db2.gz NMONFAMXWFATFI-DHLKQENFSA-N 0 0 453.675 4.805 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCC1CCC(OC)CC1)c1ccccc1 ZINC001545724159 1066980554 /nfs/dbraw/zinc/98/05/54/1066980554.db2.gz MQSHZJMDIQTAKU-JWIPTRERSA-N 0 0 481.685 4.720 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)NCC(C)(C)c2ccccc2Br)c(=O)[nH]1 ZINC001458117250 1066980644 /nfs/dbraw/zinc/98/06/44/1066980644.db2.gz CHMLJTXKXBWEEN-UHFFFAOYSA-N 0 0 455.352 4.933 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC001449067314 1066980733 /nfs/dbraw/zinc/98/07/33/1066980733.db2.gz XUSPKANPFDNMJZ-UHFFFAOYSA-N 0 0 456.402 4.843 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccsc2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545724370 1066980817 /nfs/dbraw/zinc/98/08/17/1066980817.db2.gz POISDCFGLSAQIP-QFIPXVFZSA-N 0 0 454.640 4.961 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546097167 1066980987 /nfs/dbraw/zinc/98/09/87/1066980987.db2.gz DLXJMDXRTLPUDZ-NBGIEHNGSA-N 0 0 463.667 4.565 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545724598 1066981254 /nfs/dbraw/zinc/98/12/54/1066981254.db2.gz SVVFSRZOFKOBFB-UQBPGWFLSA-N 0 0 471.049 4.785 20 0 JJADRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001449072374 1066981299 /nfs/dbraw/zinc/98/12/99/1066981299.db2.gz IFOALNNPEWOQQS-OAHLLOKOSA-N 0 0 456.980 4.581 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cccc(F)c1F ZINC001458122316 1066981458 /nfs/dbraw/zinc/98/14/58/1066981458.db2.gz QJCKBGHFKJBILG-AWEZNQCLSA-N 0 0 456.942 4.674 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCCc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 ZINC001458121818 1066981494 /nfs/dbraw/zinc/98/14/94/1066981494.db2.gz HWILVQBKNCWFSM-GOSISDBHSA-N 0 0 458.183 4.682 20 0 JJADRN C[C@@H]1CCc2c(sc3ncnc(N(C)C[C@@H](O)COc4ccccc4C(F)(F)F)c23)C1 ZINC001458121404 1066981658 /nfs/dbraw/zinc/98/16/58/1066981658.db2.gz PMSYPXSEUIUFHC-ZIAGYGMSSA-N 0 0 451.514 4.711 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ncc(-c4ccc(Cl)cc4)s3)c2C1 ZINC001449085105 1066981621 /nfs/dbraw/zinc/98/16/21/1066981621.db2.gz RNNGTIODBZVXFN-UHFFFAOYSA-N 0 0 459.959 4.732 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001545724882 1066981877 /nfs/dbraw/zinc/98/18/77/1066981877.db2.gz ZCDXTLYJGPPVCQ-QGZVFWFLSA-N 0 0 475.544 4.714 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545724792 1066982036 /nfs/dbraw/zinc/98/20/36/1066982036.db2.gz XAHXMGHRFQBHKL-QHWMMSMNSA-N 0 0 466.626 4.943 20 0 JJADRN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC001458124675 1066982841 /nfs/dbraw/zinc/98/28/41/1066982841.db2.gz UKYUWVBYHSHSPB-FUHWJXTLSA-N 0 0 456.917 4.843 20 0 JJADRN CC[C@H](c1nnc(N(C)CCc2nccs2)n1Cc1nccn1C(F)F)c1ccccc1 ZINC001545726590 1066983468 /nfs/dbraw/zinc/98/34/68/1066983468.db2.gz SVODLEGPSRFETL-KRWDZBQOSA-N 0 0 457.554 4.595 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CCC[C@]2(CCOC2)O1)c1ccccc1 ZINC001545726544 1066983519 /nfs/dbraw/zinc/98/35/19/1066983519.db2.gz RYZNMQPDKLRUHK-TXTKFYIRSA-N 0 0 466.548 4.937 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC2CC2)n1CCn1cc(Br)cn1)c1ccccc1 ZINC001545726741 1066983682 /nfs/dbraw/zinc/98/36/82/1066983682.db2.gz WMCVQOSLKPPBDM-HXUWFJFHSA-N 0 0 457.420 4.716 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC1CCC(OC)CC1)c1ccccc1 ZINC001545726631 1066983849 /nfs/dbraw/zinc/98/38/49/1066983849.db2.gz UJPKIGQGELGWKW-YVIQJVFOSA-N 0 0 483.701 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)C3CCC(C(C)(C)O)CC3)s2)CC1 ZINC001449118963 1066983759 /nfs/dbraw/zinc/98/37/59/1066983759.db2.gz MINZUWCYQPIXBM-UHFFFAOYSA-N 0 0 451.633 4.773 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)CCc1cc(Br)ccc1F ZINC001449124291 1066984067 /nfs/dbraw/zinc/98/40/67/1066984067.db2.gz DAUQDDXYZPMFCX-SFHVURJKSA-N 0 0 455.368 4.571 20 0 JJADRN Cc1nnc(SCC(=O)NCC(F)(F)c2ccc(Cl)cc2)n1-c1cc(C)ccc1C ZINC001449123377 1066984274 /nfs/dbraw/zinc/98/42/74/1066984274.db2.gz MPVIRMYPMLXRNJ-UHFFFAOYSA-N 0 0 450.942 4.846 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)c2)cc1 ZINC001458129270 1066984290 /nfs/dbraw/zinc/98/42/90/1066984290.db2.gz ZDLQEFPTMMVLPF-UHFFFAOYSA-N 0 0 458.484 4.816 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)[C@H]2CCc3cc(OC)ccc3C2)c1Cl ZINC001458133156 1066984548 /nfs/dbraw/zinc/98/45/48/1066984548.db2.gz GLRSIQQENYPTKC-ZDUSSCGKSA-N 0 0 452.732 4.641 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC001458133471 1066984666 /nfs/dbraw/zinc/98/46/66/1066984666.db2.gz ZYNXASNZUYZWPB-UHFFFAOYSA-N 0 0 450.491 4.950 20 0 JJADRN CC[C@H](c1nnc(N(C)OC)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545727836 1066984687 /nfs/dbraw/zinc/98/46/87/1066984687.db2.gz AEUIQWMTOMWCCO-RTWAWAEBSA-N 0 0 457.619 4.997 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001449133972 1066984702 /nfs/dbraw/zinc/98/47/02/1066984702.db2.gz NLBZXDQHNCDYJF-KRWDZBQOSA-N 0 0 459.331 4.591 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(Cl)ncc1C ZINC001546011670 1066984935 /nfs/dbraw/zinc/98/49/35/1066984935.db2.gz OLZSRPOCWZCNKW-UHFFFAOYSA-N 0 0 453.008 4.538 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001449144101 1066985023 /nfs/dbraw/zinc/98/50/23/1066985023.db2.gz BKEOUPQVQDQAKR-LJQANCHMSA-N 0 0 453.384 4.855 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1csc(C)c1)c1ccccc1 ZINC001545728148 1066985238 /nfs/dbraw/zinc/98/52/38/1066985238.db2.gz GXXCJYWIEQQFHL-VEXUSMLFSA-N 0 0 495.693 4.606 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545728184 1066985420 /nfs/dbraw/zinc/98/54/20/1066985420.db2.gz HKQZLIRKMYSWHM-MAUKXSAKSA-N 0 0 477.556 4.616 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458136453 1066985593 /nfs/dbraw/zinc/98/55/93/1066985593.db2.gz SCYMUCRGZTUVHE-VQIMIIECSA-N 0 0 451.445 4.539 20 0 JJADRN COc1ccc(SCCCC(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1 ZINC001458137765 1066985628 /nfs/dbraw/zinc/98/56/28/1066985628.db2.gz BIFQXKGHUQQJLX-GOSISDBHSA-N 0 0 459.612 4.820 20 0 JJADRN CC[C@H](c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545728185 1066985626 /nfs/dbraw/zinc/98/56/26/1066985626.db2.gz HKQZLIRKMYSWHM-QAPCUYQASA-N 0 0 477.556 4.616 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC001458138090 1066985815 /nfs/dbraw/zinc/98/58/15/1066985815.db2.gz DTVNXPHOPVBCHV-GOSISDBHSA-N 0 0 457.571 4.741 20 0 JJADRN CC[C@@H](c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545728531 1066985906 /nfs/dbraw/zinc/98/59/06/1066985906.db2.gz MXTVFRYWPOWIKQ-PKTZIBPZSA-N 0 0 450.631 4.784 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C)c1ccccc1 ZINC001545728457 1066986020 /nfs/dbraw/zinc/98/60/20/1066986020.db2.gz LPOJSHFFGBHCIU-SDHSZQHLSA-N 0 0 495.693 4.668 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@@H]2CC[C@@H]2C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001449154577 1066985863 /nfs/dbraw/zinc/98/58/63/1066985863.db2.gz FIPNYOVQPKZRST-OXJNMPFZSA-N 0 0 454.514 4.514 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545728452 1066986096 /nfs/dbraw/zinc/98/60/96/1066986096.db2.gz LORGFDBNQBOKBG-OOICKAIWSA-N 0 0 450.631 4.784 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC001458141808 1066986218 /nfs/dbraw/zinc/98/62/18/1066986218.db2.gz FJCJPYVOGWFQFN-OXQOHEQNSA-N 0 0 458.411 4.568 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)c1nc(SC)ncc1I ZINC001458140154 1066986265 /nfs/dbraw/zinc/98/62/65/1066986265.db2.gz YPKPUMDQBBEMGG-UHFFFAOYSA-N 0 0 453.271 4.848 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC001458140661 1066986279 /nfs/dbraw/zinc/98/62/79/1066986279.db2.gz BWPFUKKVYPLYNZ-UHFFFAOYSA-N 0 0 453.408 4.580 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC001458141809 1066986327 /nfs/dbraw/zinc/98/63/27/1066986327.db2.gz FJCJPYVOGWFQFN-UZLBHIALSA-N 0 0 458.411 4.568 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)NC(C)(C)COc3ccc(C(F)(F)F)cn3)cc2F)n1 ZINC001458142064 1066986352 /nfs/dbraw/zinc/98/63/52/1066986352.db2.gz HTAUQTSDYABSRZ-UHFFFAOYSA-N 0 0 450.436 4.629 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC001458142476 1066986658 /nfs/dbraw/zinc/98/66/58/1066986658.db2.gz JTTFRCQMOBBAPU-DEOSSOPVSA-N 0 0 456.974 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC(F)(c3ccccn3)CC2)CC1 ZINC001449168716 1066987065 /nfs/dbraw/zinc/98/70/65/1066987065.db2.gz NTDVDBARNUEVNS-UHFFFAOYSA-N 0 0 456.562 4.556 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1c(C)nn(C)c1C)c1ccccc1 ZINC001545729315 1066987043 /nfs/dbraw/zinc/98/70/43/1066987043.db2.gz ZXAHTENNFWQPCS-NRFANRHFSA-N 0 0 450.631 4.612 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cccs2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545729289 1066987060 /nfs/dbraw/zinc/98/70/60/1066987060.db2.gz ZMCZIQLOZXUYHK-JOCHJYFZSA-N 0 0 454.640 4.840 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Cc2ccc(OC)cc2)CCO1 ZINC001546097464 1066987066 /nfs/dbraw/zinc/98/70/66/1066987066.db2.gz KWLSSPLRNQACTG-UQBPGWFLSA-N 0 0 454.640 4.823 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 ZINC001545730254 1066987072 /nfs/dbraw/zinc/98/70/72/1066987072.db2.gz VTWMFALUSBQROU-JXFKEZNVSA-N 0 0 450.539 4.742 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC001458144540 1066987221 /nfs/dbraw/zinc/98/72/21/1066987221.db2.gz SMLHZRNSHHGYMK-AWEZNQCLSA-N 0 0 452.477 4.948 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001458144215 1066987253 /nfs/dbraw/zinc/98/72/53/1066987253.db2.gz PDIPMXQZBDSQJM-UHFFFAOYSA-N 0 0 452.404 4.999 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001458145757 1066987700 /nfs/dbraw/zinc/98/77/00/1066987700.db2.gz WBKNLSKLMJSWHS-FQEVSTJZSA-N 0 0 452.864 4.917 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545730542 1066987834 /nfs/dbraw/zinc/98/78/34/1066987834.db2.gz BJKBPBCHOCERLZ-CFVMTHIKSA-N 0 0 497.306 4.964 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545730496 1066987855 /nfs/dbraw/zinc/98/78/55/1066987855.db2.gz ASNKQOMGYBLPAL-JTHBVZDNSA-N 0 0 467.658 4.616 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545730576 1066988166 /nfs/dbraw/zinc/98/81/66/1066988166.db2.gz BVMUVXIXLPLUAR-AMGIVPHBSA-N 0 0 470.658 4.657 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545730651 1066988235 /nfs/dbraw/zinc/98/82/35/1066988235.db2.gz DFUUZAYKFVCUKD-QWFCFKBJSA-N 0 0 455.603 4.763 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@@H](C)COc2ccccc2OC)CCO1 ZINC001546097504 1066988390 /nfs/dbraw/zinc/98/83/90/1066988390.db2.gz LQNZLDRXUNJWRH-FQRUVTKNSA-N 0 0 456.631 4.740 20 0 JJADRN CN1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1Cc1ccccc1 ZINC001449182684 1066988487 /nfs/dbraw/zinc/98/84/87/1066988487.db2.gz YGINBPLLRDARNE-HXUWFJFHSA-N 0 0 451.014 4.957 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001449180623 1066988560 /nfs/dbraw/zinc/98/85/60/1066988560.db2.gz WHJVJSCRYJZALB-MHECFPHRSA-N 0 0 450.023 4.852 20 0 JJADRN Cc1cc(OCCCC(=O)NC(C)(C)COc2ncccc2Br)ccc1Cl ZINC001458150512 1066988711 /nfs/dbraw/zinc/98/87/11/1066988711.db2.gz BVTXUGIXDLUVDM-UHFFFAOYSA-N 0 0 455.780 4.939 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCCCCSC)c1ccccc1 ZINC001545730757 1066988670 /nfs/dbraw/zinc/98/86/70/1066988670.db2.gz FPRGBBALVWAGFW-HOKHCIIBSA-N 0 0 458.672 4.738 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545730924 1066988860 /nfs/dbraw/zinc/98/88/60/1066988860.db2.gz HYVOEIIGUBVTBN-GEQKSPFYSA-N 0 0 466.548 4.793 20 0 JJADRN C[C@@H](OC(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccc2c(c1)CCCC2 ZINC001458150655 1066988776 /nfs/dbraw/zinc/98/87/76/1066988776.db2.gz VMNKOYVVTALNLW-OAHLLOKOSA-N 0 0 458.352 4.748 20 0 JJADRN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1sc2cc(Br)ccc2c1Cl ZINC001458150720 1066988838 /nfs/dbraw/zinc/98/88/38/1066988838.db2.gz YVZMOKUMFUOBGZ-GFCCVEGCSA-N 0 0 456.770 4.576 20 0 JJADRN COc1cc(C(=O)OCc2cn(-c3ccccc3Cl)nn2)cc(Cl)c1OCC(C)C ZINC001458151556 1066989083 /nfs/dbraw/zinc/98/90/83/1066989083.db2.gz QXFBHXIKHMAHFK-UHFFFAOYSA-N 0 0 450.322 4.975 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H]1CC)NC(=O)OC(C)(C)C ZINC001546012057 1066989264 /nfs/dbraw/zinc/98/92/64/1066989264.db2.gz BCJHCKIIUGYOFF-NNMXDRDESA-N 0 0 487.645 4.794 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545731018 1066989313 /nfs/dbraw/zinc/98/93/13/1066989313.db2.gz IWOLBLCFYVUXST-ZHCYEPILSA-N 0 0 466.626 4.941 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731107 1066989634 /nfs/dbraw/zinc/98/96/34/1066989634.db2.gz JVVBHXHETCQQGI-SVFBPWRDSA-N 0 0 471.646 4.737 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731105 1066989643 /nfs/dbraw/zinc/98/96/43/1066989643.db2.gz JVVBHXHETCQQGI-IRFCIJBXSA-N 0 0 471.646 4.737 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153642 1066989586 /nfs/dbraw/zinc/98/95/86/1066989586.db2.gz KCAUBXKQVHGFPI-QFQXNSOFSA-N 0 0 458.606 4.737 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001449211745 1066989659 /nfs/dbraw/zinc/98/96/59/1066989659.db2.gz OWKBKVIHWOVMNW-IBGZPJMESA-N 0 0 451.007 4.825 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731068 1066989705 /nfs/dbraw/zinc/98/97/05/1066989705.db2.gz JLHZLZSEZNBFCX-TYPHKJRUSA-N 0 0 479.591 4.565 20 0 JJADRN C[S@](=O)Cc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC001449218582 1066990028 /nfs/dbraw/zinc/99/00/28/1066990028.db2.gz SXTRNFVKCQSRLX-HKBQPEDESA-N 0 0 453.951 4.594 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154589 1066990374 /nfs/dbraw/zinc/99/03/74/1066990374.db2.gz OLDJMKZTRJVVPJ-JTSKRJEESA-N 0 0 458.444 4.763 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C=Cc3cc4cnn(C(C)C)c4[nH]c3=O)sc2C1 ZINC001449221684 1066990595 /nfs/dbraw/zinc/99/05/95/1066990595.db2.gz CNCHJMRMYVSRSA-PYUISTEWSA-N 0 0 453.612 4.955 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)NC[C@@H](NCc2ccccc2)c2ccco2)CC1 ZINC001449226715 1066990942 /nfs/dbraw/zinc/99/09/42/1066990942.db2.gz JADZERBQIWZEON-JOCHJYFZSA-N 0 0 455.599 4.654 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731428 1066991131 /nfs/dbraw/zinc/99/11/31/1066991131.db2.gz OCWOSWZLBVGRQI-PLLBJWBMSA-N 0 0 480.575 4.917 20 0 JJADRN COc1ccc(N(C)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(OC)c1 ZINC001458156810 1066991794 /nfs/dbraw/zinc/99/17/94/1066991794.db2.gz ZBMZORFKXRULBG-NRFANRHFSA-N 0 0 452.938 4.881 20 0 JJADRN COc1ccc(N(C)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(OC)c1 ZINC001458156812 1066991883 /nfs/dbraw/zinc/99/18/83/1066991883.db2.gz ZBMZORFKXRULBG-OAQYLSRUSA-N 0 0 452.938 4.881 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731835 1066992154 /nfs/dbraw/zinc/99/21/54/1066992154.db2.gz SXSNKABWKNVHRN-MZYLBHOOSA-N 0 0 471.715 4.509 20 0 JJADRN CCOc1cc(/C=C/C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)ccc1O ZINC001449235681 1066992281 /nfs/dbraw/zinc/99/22/81/1066992281.db2.gz ZIKIBTLZDBBMKV-XBXARRHUSA-N 0 0 454.876 4.825 20 0 JJADRN Cc1nn(CC(=O)N2CCc3c(F)cc(F)cc3C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001458160030 1066992648 /nfs/dbraw/zinc/99/26/48/1066992648.db2.gz PKTMIJVVIVQHOO-UHFFFAOYSA-N 0 0 452.427 4.745 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cc(F)c(F)cc1Br)c1ccccc1 ZINC001458159535 1066992832 /nfs/dbraw/zinc/99/28/32/1066992832.db2.gz SZXFPIYXELDCIE-ZDUSSCGKSA-N 0 0 455.299 4.974 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Oc2ccccc2Cl)nc1 ZINC001449260551 1066993059 /nfs/dbraw/zinc/99/30/59/1066993059.db2.gz NLQOFFZNLVMDOF-UHFFFAOYSA-N 0 0 454.317 4.938 20 0 JJADRN CCN(C(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC001449260459 1066993198 /nfs/dbraw/zinc/99/31/98/1066993198.db2.gz BCQFCYRCVWDSIY-RUZDIDTESA-N 0 0 450.579 4.721 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2Br)C1 ZINC001545732526 1066993987 /nfs/dbraw/zinc/99/39/87/1066993987.db2.gz GYDQSEAHEUHJID-UONOGXRCSA-N 0 0 451.361 4.961 20 0 JJADRN CCc1ccc([C@H](O)CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 ZINC001449266524 1066994035 /nfs/dbraw/zinc/99/40/35/1066994035.db2.gz QWJXEWMOIZTGIX-PKTZIBPZSA-N 0 0 454.364 4.981 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001545732618 1066994105 /nfs/dbraw/zinc/99/41/05/1066994105.db2.gz JDPOKQLBIPRUDT-GJZGRUSLSA-N 0 0 453.967 4.674 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(C)CC2)n1CCn1cc(Br)cn1)c1ccccc1 ZINC001545733428 1066994544 /nfs/dbraw/zinc/99/45/44/1066994544.db2.gz BHXQVQIIBFPIRF-FQEVSTJZSA-N 0 0 455.404 4.636 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cn2cc(C)ccc2n1 ZINC001449269287 1066994597 /nfs/dbraw/zinc/99/45/97/1066994597.db2.gz FCMWNADDERLZTN-UHFFFAOYSA-N 0 0 456.930 4.987 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(COC)CC1)OC ZINC001546012604 1066994606 /nfs/dbraw/zinc/99/46/06/1066994606.db2.gz LEFFFTZBHIWUMK-QGZVFWFLSA-N 0 0 471.429 4.842 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)Nc1cccnc1N1C(=O)O[C@@H](C(F)(F)F)[C@H]1C ZINC001458169549 1066994652 /nfs/dbraw/zinc/99/46/52/1066994652.db2.gz JMBBJTKFBILKGH-CKEIUWERSA-N 0 0 453.486 4.866 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC001545733532 1066994868 /nfs/dbraw/zinc/99/48/68/1066994868.db2.gz CUODCISOVJOZDU-FQEVSTJZSA-N 0 0 487.526 4.672 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545733564 1066995230 /nfs/dbraw/zinc/99/52/30/1066995230.db2.gz DNJITHBPXZUQGM-NFBKMPQASA-N 0 0 483.657 4.858 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545733600 1066995267 /nfs/dbraw/zinc/99/52/67/1066995267.db2.gz DZKPTVHTFVFHMK-DLBZAZTESA-N 0 0 491.480 4.667 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C(C)C)C2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545733598 1066995283 /nfs/dbraw/zinc/99/52/83/1066995283.db2.gz DYSSEKUHAXRPIM-RTWAWAEBSA-N 0 0 451.640 4.794 20 0 JJADRN O=C(Cc1csc(N2CCOCC2)n1)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC001449282138 1066995310 /nfs/dbraw/zinc/99/53/10/1066995310.db2.gz BTWBLFSPABGIJS-UHFFFAOYSA-N 0 0 458.381 4.590 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)s1 ZINC001458172054 1066995461 /nfs/dbraw/zinc/99/54/61/1066995461.db2.gz JTWGQTUTWGRCEX-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001458172209 1066995639 /nfs/dbraw/zinc/99/56/39/1066995639.db2.gz MVSJAVOJMAPIOJ-UHFFFAOYSA-N 0 0 451.792 4.604 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001449289305 1066995783 /nfs/dbraw/zinc/99/57/83/1066995783.db2.gz BYSNUZMLHKQSEJ-CWFSZBLJSA-N 0 0 452.542 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(OC(=O)Cc3csc(-c4ccccn4)n3)cc2C1 ZINC001458173261 1066996009 /nfs/dbraw/zinc/99/60/09/1066996009.db2.gz MNATZNDWDVLDMG-UHFFFAOYSA-N 0 0 451.548 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)C1 ZINC001449298511 1066996185 /nfs/dbraw/zinc/99/61/85/1066996185.db2.gz LTZMPXLISMDYLP-MJGOQNOKSA-N 0 0 458.496 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)C1 ZINC001449298502 1066996261 /nfs/dbraw/zinc/99/62/61/1066996261.db2.gz LTZMPXLISMDYLP-IEBWSBKVSA-N 0 0 458.496 4.967 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC001546012877 1066996369 /nfs/dbraw/zinc/99/63/69/1066996369.db2.gz QDHUMLBZSSQGGT-IBGZPJMESA-N 0 0 457.619 4.848 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CCCC1 ZINC001449295620 1066996400 /nfs/dbraw/zinc/99/64/00/1066996400.db2.gz IOYYUVZNDCLPFW-HSZRJFAPSA-N 0 0 455.549 4.887 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545733887 1066996445 /nfs/dbraw/zinc/99/64/45/1066996445.db2.gz JWWJXZYYYRNSEU-HXUWFJFHSA-N 0 0 463.548 4.681 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001458175222 1066996655 /nfs/dbraw/zinc/99/66/55/1066996655.db2.gz LXUINMRZDSEWHK-SFHVURJKSA-N 0 0 452.551 4.543 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cs2)cc1OC ZINC001458174542 1066996666 /nfs/dbraw/zinc/99/66/66/1066996666.db2.gz LZXMVRKQXWECLY-GOSISDBHSA-N 0 0 456.539 4.928 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(COC)CC2)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545734272 1066996737 /nfs/dbraw/zinc/99/67/37/1066996737.db2.gz PTNVJWDQIVFDGA-AVRDEDQJSA-N 0 0 467.639 4.815 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1ccc3c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC3)CCO2 ZINC001449303062 1066996717 /nfs/dbraw/zinc/99/67/17/1066996717.db2.gz VEMGKIUOZBUFIQ-OAQYLSRUSA-N 0 0 450.579 4.974 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545734130 1066996804 /nfs/dbraw/zinc/99/68/04/1066996804.db2.gz NQOBYQONTQABDL-HSZRJFAPSA-N 0 0 497.684 4.986 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC001458176249 1066997086 /nfs/dbraw/zinc/99/70/86/1066997086.db2.gz RMFPXBIAACEPJB-ZBEGNZNMSA-N 0 0 459.877 4.883 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC001458176242 1066997209 /nfs/dbraw/zinc/99/72/09/1066997209.db2.gz RMFPXBIAACEPJB-BZNIZROVSA-N 0 0 459.877 4.883 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)[C@H](CC)c3cccc(C(F)(F)F)c3)CC2)c1C ZINC001449306745 1066997360 /nfs/dbraw/zinc/99/73/60/1066997360.db2.gz ZWDBTMWUPWCJQR-LJQANCHMSA-N 0 0 451.489 4.744 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)Oc1cccc(F)c1I ZINC001458176722 1066997496 /nfs/dbraw/zinc/99/74/96/1066997496.db2.gz VIHNWTDIPDZRSE-UHFFFAOYSA-N 0 0 456.585 4.790 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(COCC(F)(F)F)c2)CC2(CCC2)C1 ZINC001458176848 1066997585 /nfs/dbraw/zinc/99/75/85/1066997585.db2.gz WJGJRLAIMXRNBT-UHFFFAOYSA-N 0 0 456.505 4.609 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545734467 1066997696 /nfs/dbraw/zinc/99/76/96/1066997696.db2.gz SUFSZUNKFFFAHD-RCZVLFRGSA-N 0 0 451.659 4.951 20 0 JJADRN O=C(CCSc1ccc(F)cc1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001449309594 1066997941 /nfs/dbraw/zinc/99/79/41/1066997941.db2.gz KDCFFXNYFPYXMM-UHFFFAOYSA-N 0 0 452.349 4.589 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545734743 1066998020 /nfs/dbraw/zinc/99/80/20/1066998020.db2.gz ZBLJWBMNXSQOLQ-OAQYLSRUSA-N 0 0 475.559 4.921 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001449314778 1066998361 /nfs/dbraw/zinc/99/83/61/1066998361.db2.gz LGENHWZUZYGBJD-KRWDZBQOSA-N 0 0 453.757 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC001449312951 1066998429 /nfs/dbraw/zinc/99/84/29/1066998429.db2.gz VBAXZGROBCJUDV-JOCHJYFZSA-N 0 0 453.970 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001449317688 1066998717 /nfs/dbraw/zinc/99/87/17/1066998717.db2.gz JZYPUHSDQIZXQA-CQSZACIVSA-N 0 0 457.434 4.742 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001449317685 1066998810 /nfs/dbraw/zinc/99/88/10/1066998810.db2.gz JZYPUHSDQIZXQA-AWEZNQCLSA-N 0 0 457.434 4.742 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC001449315655 1066998832 /nfs/dbraw/zinc/99/88/32/1066998832.db2.gz KKNTXSHCHWKYRI-UHFFFAOYSA-N 0 0 456.999 4.535 20 0 JJADRN Cc1ccc(N2CCN(C(=O)C3(c4ccc(Br)cc4)CCCCC3)CC2=O)cc1 ZINC001449323414 1066999213 /nfs/dbraw/zinc/99/92/13/1066999213.db2.gz CKWNFGMHNLPRPX-UHFFFAOYSA-N 0 0 455.396 4.835 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001546013085 1066999222 /nfs/dbraw/zinc/99/92/22/1066999222.db2.gz UMLRTKYKXGCXDK-IBGZPJMESA-N 0 0 496.574 4.927 20 0 JJADRN CC[C@@](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)(C(=O)OC)c1ccccc1 ZINC001449321035 1066999345 /nfs/dbraw/zinc/99/93/45/1066999345.db2.gz UUGOBYKNIFZNLZ-QYBDOPJKSA-N 0 0 452.551 4.510 20 0 JJADRN O=C(Nc1cccc2oc(C(F)(F)F)nc21)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458184880 1066999766 /nfs/dbraw/zinc/99/97/66/1066999766.db2.gz CBGGYRDHNIKZAP-CYBMUJFWSA-N 0 0 455.845 4.654 20 0 JJADRN O=C(Cc1ccccc1I)Nc1cc(Cl)ccc1Br ZINC001458185233 1066999771 /nfs/dbraw/zinc/99/97/71/1066999771.db2.gz AYZQIAAFMMJMLQ-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545736076 1066999884 /nfs/dbraw/zinc/99/98/84/1066999884.db2.gz KOMVHUXKMXYPIJ-RNHFSVANSA-N 0 0 457.688 4.560 20 0 JJADRN Cn1ccnc1[C@H](CC(=O)NCC1(c2ccc(Br)s2)CCC1)C(F)(F)F ZINC001449326549 1066999950 /nfs/dbraw/zinc/99/99/50/1066999950.db2.gz YHUIWLQSISJIPO-NSHDSACASA-N 0 0 450.324 4.518 20 0 JJADRN O=C(NCCOc1ccccc1Cl)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001458185588 1067000114 /nfs/dbraw/zinc/00/01/14/1067000114.db2.gz DPTCOJZRLDTTSX-HNNXBMFYSA-N 0 0 455.769 4.694 20 0 JJADRN CCC[C@@]1(NC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CCOC1 ZINC001449330570 1067000252 /nfs/dbraw/zinc/00/02/52/1067000252.db2.gz JWSXCBPAFJKFLP-HXUWFJFHSA-N 0 0 454.386 4.787 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)OC ZINC001546013160 1067000277 /nfs/dbraw/zinc/00/02/77/1067000277.db2.gz VVRGWLHKPMZSBH-UYAOXDASSA-N 0 0 473.618 4.879 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1Br ZINC001458188198 1067000506 /nfs/dbraw/zinc/00/05/06/1067000506.db2.gz QPALDBSVMYXDJE-UHFFFAOYSA-N 0 0 458.747 4.882 20 0 JJADRN Fc1ccc(C[C@@H]2CCN(c3nc(C(F)(F)F)ccc3I)C2)cc1 ZINC001458188395 1067000516 /nfs/dbraw/zinc/00/05/16/1067000516.db2.gz IZKAPKQTIWNMLK-LBPRGKRZSA-N 0 0 450.217 4.913 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001449332386 1067000448 /nfs/dbraw/zinc/00/04/48/1067000448.db2.gz TWDUZGIXLMRVDT-SFHVURJKSA-N 0 0 450.476 4.897 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC001545736656 1067000693 /nfs/dbraw/zinc/00/06/93/1067000693.db2.gz UAFRMYMRIPMADY-FTBPSBKWSA-N 0 0 476.669 4.971 20 0 JJADRN Cc1cc(C)c(CCNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c(C)c1 ZINC001458190062 1067000720 /nfs/dbraw/zinc/00/07/20/1067000720.db2.gz YTHDVNIJFVCCNV-OAQYLSRUSA-N 0 0 450.604 4.624 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545736894 1067000935 /nfs/dbraw/zinc/00/09/35/1067000935.db2.gz WZBHMGURFMMFOS-UEVCKROQSA-N 0 0 493.618 4.956 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ncnc(C(F)(F)F)c1Br ZINC001458192412 1067001181 /nfs/dbraw/zinc/00/11/81/1067001181.db2.gz ZPLOJYTZZWLIFJ-WDEREUQCSA-N 0 0 453.303 4.753 20 0 JJADRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458193997 1067001293 /nfs/dbraw/zinc/00/12/93/1067001293.db2.gz QVBNBCNONNPWER-PMACEKPBSA-N 0 0 454.533 4.610 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@](C)(CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545736944 1067001245 /nfs/dbraw/zinc/00/12/45/1067001245.db2.gz XRDHVNYUTOBYCB-DPLHUUCSSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545736947 1067001411 /nfs/dbraw/zinc/00/14/11/1067001411.db2.gz XRDHVNYUTOBYCB-ZFGGDYGUSA-N 0 0 479.591 4.710 20 0 JJADRN C[C@H]1CCc2c(sc3ncnc(N(CCO)Cc4cc(Br)ccc4F)c32)C1 ZINC001458194953 1067001569 /nfs/dbraw/zinc/00/15/69/1067001569.db2.gz BDWAQQFWSKWYAW-LBPRGKRZSA-N 0 0 450.377 4.717 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@H](c4ccccc4C)C[C@H]3C)c2c1C ZINC001458197803 1067001952 /nfs/dbraw/zinc/00/19/52/1067001952.db2.gz LPFYINPGLYABRG-SJLPKXTDSA-N 0 0 452.624 4.929 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(c2nc(C)ncc2I)C1 ZINC001458201227 1067002163 /nfs/dbraw/zinc/00/21/63/1067002163.db2.gz XRZURYZBBQHUAK-CYBMUJFWSA-N 0 0 457.743 4.511 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3c4ccccc4CC[C@H]3C(C)C)CC2)c1 ZINC001458203656 1067002477 /nfs/dbraw/zinc/00/24/77/1067002477.db2.gz OOLZVFXBRPPTJL-DEOSSOPVSA-N 0 0 450.579 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001545738387 1067002513 /nfs/dbraw/zinc/00/25/13/1067002513.db2.gz HIUSADIBMLYSGY-BJKOFHAPSA-N 0 0 451.659 4.999 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449355203 1067002651 /nfs/dbraw/zinc/00/26/51/1067002651.db2.gz GVFXGIPSMUTWRU-VWLOTQADSA-N 0 0 457.599 4.786 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1OCc1ccc(Cl)cc1 ZINC001449356059 1067002775 /nfs/dbraw/zinc/00/27/75/1067002775.db2.gz MIBZTOJQZVQTSR-SJLPKXTDSA-N 0 0 457.876 4.561 20 0 JJADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc[nH]c(=O)c1Br ZINC001449356331 1067003238 /nfs/dbraw/zinc/00/32/38/1067003238.db2.gz NNWHMDNZPPLDDV-UHFFFAOYSA-N 0 0 457.168 4.860 20 0 JJADRN CCOC(=O)CN(C(=O)COc1cccc(Cl)c1)[C@@H](C)c1cccc(Br)c1 ZINC001458207474 1067003243 /nfs/dbraw/zinc/00/32/43/1067003243.db2.gz YFRTWLAWZRJXQV-AWEZNQCLSA-N 0 0 454.748 4.634 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001449357588 1067003265 /nfs/dbraw/zinc/00/32/65/1067003265.db2.gz TTWVZZWPZXIRFD-ZDUSSCGKSA-N 0 0 454.340 4.591 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001458209607 1067003489 /nfs/dbraw/zinc/00/34/89/1067003489.db2.gz MTNXHSLMCZITLE-CQSZACIVSA-N 0 0 455.164 4.911 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545738855 1067004016 /nfs/dbraw/zinc/00/40/16/1067004016.db2.gz PHBIWQLZKXUFSE-KMDXXIMOSA-N 0 0 497.684 4.940 20 0 JJADRN CC[C@@H](NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccc(OC)c(OC)c1 ZINC001449364011 1067004067 /nfs/dbraw/zinc/00/40/67/1067004067.db2.gz AFUZXOVBAXUEMT-LJQANCHMSA-N 0 0 454.596 4.569 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001449362124 1067004079 /nfs/dbraw/zinc/00/40/79/1067004079.db2.gz NGOBJNYSRCJBDG-LAUBAEHRSA-N 0 0 450.023 4.587 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1nc(C(C)C)cs1)c1ccccc1 ZINC001545739120 1067004297 /nfs/dbraw/zinc/00/42/97/1067004297.db2.gz UAPJFLRCVIKMJN-OAQYLSRUSA-N 0 0 480.682 4.930 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001449369618 1067004858 /nfs/dbraw/zinc/00/48/58/1067004858.db2.gz KVAUORYPNRLTEM-SFHVURJKSA-N 0 0 456.505 4.623 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001449369609 1067004903 /nfs/dbraw/zinc/00/49/03/1067004903.db2.gz KVAUORYPNRLTEM-GOSISDBHSA-N 0 0 456.505 4.623 20 0 JJADRN CC[C@]1(C)CCN(C(=O)CCN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC001545739631 1067005123 /nfs/dbraw/zinc/00/51/23/1067005123.db2.gz FDBGMXFUUWOBDO-RUZDIDTESA-N 0 0 458.624 4.546 20 0 JJADRN COc1ccccc1N1CC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001545739807 1067005435 /nfs/dbraw/zinc/00/54/35/1067005435.db2.gz JNOVSXRLKHFNMD-LEWJYISDSA-N 0 0 459.631 4.501 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458217657 1067005575 /nfs/dbraw/zinc/00/55/75/1067005575.db2.gz JIOKETOIXIFENK-SJORKVTESA-N 0 0 452.477 4.913 20 0 JJADRN O=C(NCCOc1cncc(Cl)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001449384005 1067005656 /nfs/dbraw/zinc/00/56/56/1067005656.db2.gz LXRRHAVMMXUBJD-UHFFFAOYSA-N 0 0 451.741 4.525 20 0 JJADRN CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[C@H](OCCCc2ccccc2)C1 ZINC001458218344 1067005753 /nfs/dbraw/zinc/00/57/53/1067005753.db2.gz DRDUZUBUUYBWHH-KRWDZBQOSA-N 0 0 458.404 4.572 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H](Nc2nc3ccccc3nc2F)c2ccccc2)c(C)c1 ZINC001458217835 1067005786 /nfs/dbraw/zinc/00/57/86/1067005786.db2.gz BSRMSYBQBCORKA-OAQYLSRUSA-N 0 0 450.539 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc3c2OCCC3=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC001458218901 1067005830 /nfs/dbraw/zinc/00/58/30/1067005830.db2.gz LUUIBEBBXUCDGA-MOPGFXCFSA-N 0 0 470.953 4.894 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001449393549 1067006020 /nfs/dbraw/zinc/00/60/20/1067006020.db2.gz RHGTWVDCKASZBJ-HKUYNNGSSA-N 0 0 450.913 4.904 20 0 JJADRN COCc1ccccc1COC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001458219168 1067006143 /nfs/dbraw/zinc/00/61/43/1067006143.db2.gz IAZUSBDXVZANFF-UHFFFAOYSA-N 0 0 451.332 4.817 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1NC(=O)NC(C)(C)C ZINC001449401766 1067006633 /nfs/dbraw/zinc/00/66/33/1067006633.db2.gz CDRGFVUHTDYMAN-LJQANCHMSA-N 0 0 459.388 4.954 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc21 ZINC001458221747 1067006796 /nfs/dbraw/zinc/00/67/96/1067006796.db2.gz WTQCRBRXEFEWII-GOSISDBHSA-N 0 0 450.535 4.849 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001449404267 1067007102 /nfs/dbraw/zinc/00/71/02/1067007102.db2.gz DPYILZRNILTCST-MAUKXSAKSA-N 0 0 450.362 4.883 20 0 JJADRN CON(CC1CCOCC1)C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001449404109 1067007125 /nfs/dbraw/zinc/00/71/25/1067007125.db2.gz DIYPVCKZHSTFEP-FQEVSTJZSA-N 0 0 452.320 4.525 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC001458225788 1067007084 /nfs/dbraw/zinc/00/70/84/1067007084.db2.gz QSEYQMVZGFBTJJ-FUHWJXTLSA-N 0 0 454.368 4.847 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 ZINC001458224264 1067007215 /nfs/dbraw/zinc/00/72/15/1067007215.db2.gz SEODXJSAWLABMO-OAQYLSRUSA-N 0 0 451.571 4.780 20 0 JJADRN CCC[C@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC001449404674 1067007401 /nfs/dbraw/zinc/00/74/01/1067007401.db2.gz NIPGLKFZNYDURQ-SQJMNOBHSA-N 0 0 453.970 4.765 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404913 1067007425 /nfs/dbraw/zinc/00/74/25/1067007425.db2.gz OAJRMPZFNVCQMR-CQSZACIVSA-N 0 0 452.702 4.786 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001545741329 1067007493 /nfs/dbraw/zinc/00/74/93/1067007493.db2.gz ONFCSMHBQYPAGB-CUBQBAPOSA-N 0 0 496.700 4.582 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](COC)C2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545741344 1067007529 /nfs/dbraw/zinc/00/75/29/1067007529.db2.gz OSTMSMQHKFQWIY-FPOVZHCZSA-N 0 0 489.542 4.677 20 0 JJADRN O=C(CC1CCC2(CC1)OCCO2)Nc1nc(Cc2ccccc2Br)cs1 ZINC001458226983 1067007537 /nfs/dbraw/zinc/00/75/37/1067007537.db2.gz IMAQUXCJSKFUJB-UHFFFAOYSA-N 0 0 451.386 4.758 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCCCc2ccc(Cl)s2)C1(C)C ZINC001449408038 1067007694 /nfs/dbraw/zinc/00/76/94/1067007694.db2.gz VCMPJMNTNBCTPW-OPAMFIHVSA-N 0 0 459.052 4.939 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1)OC ZINC001546014027 1067007861 /nfs/dbraw/zinc/00/78/61/1067007861.db2.gz AEQLXBDQYNLDTC-LUKWVAJMSA-N 0 0 483.657 4.776 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409757 1067008028 /nfs/dbraw/zinc/00/80/28/1067008028.db2.gz YDFWCRZFCUPIDA-GOSISDBHSA-N 0 0 452.864 4.745 20 0 JJADRN COc1ccc([C@H](NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)C(F)(F)F)cc1 ZINC001458230320 1067008151 /nfs/dbraw/zinc/00/81/51/1067008151.db2.gz LTXMNBJVWPSQFF-FQEVSTJZSA-N 0 0 451.395 4.681 20 0 JJADRN CN(C[C@@H]1C[C@H](F)CN1C(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)OC(C)(C)C ZINC001449409050 1067008078 /nfs/dbraw/zinc/00/80/78/1067008078.db2.gz NYJOAPFGNCMQSF-RYUDHWBXSA-N 0 0 459.996 4.945 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545741667 1067008117 /nfs/dbraw/zinc/00/81/17/1067008117.db2.gz UQTHNDRBIFEYGL-FCHUYYIVSA-N 0 0 494.640 4.771 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545741561 1067008203 /nfs/dbraw/zinc/00/82/03/1067008203.db2.gz SMSPNRXAKDXKBL-CWKRKGSWSA-N 0 0 485.673 4.985 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCCCc2ccc(Cl)s2)C1(C)C ZINC001449408042 1067008287 /nfs/dbraw/zinc/00/82/87/1067008287.db2.gz VCMPJMNTNBCTPW-ZHRRBRCNSA-N 0 0 459.052 4.939 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC=CO1)c1ccccc1 ZINC001545741782 1067008480 /nfs/dbraw/zinc/00/84/80/1067008480.db2.gz WOEJKLZTWYJDOZ-YTFSRNRJSA-N 0 0 481.641 4.958 20 0 JJADRN CC[C@H](Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014072 1067008549 /nfs/dbraw/zinc/00/85/49/1067008549.db2.gz BBWHKSSNZFMCPI-CQSZACIVSA-N 0 0 484.439 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCc3ccc(Br)cc3C2)c2ccccc21 ZINC001449419324 1067008889 /nfs/dbraw/zinc/00/88/89/1067008889.db2.gz YMJPSPCJMVPGCP-IBGZPJMESA-N 0 0 457.368 4.873 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1)OC ZINC001546014132 1067008901 /nfs/dbraw/zinc/00/89/01/1067008901.db2.gz BUOVCAOUUZOTQF-LJQANCHMSA-N 0 0 475.062 4.766 20 0 JJADRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001458233812 1067008884 /nfs/dbraw/zinc/00/88/84/1067008884.db2.gz LDFUVZOVOQJAKT-UHFFFAOYSA-N 0 0 450.495 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC001458233456 1067009091 /nfs/dbraw/zinc/00/90/91/1067009091.db2.gz USFOGXLDXYGXBO-NRFANRHFSA-N 0 0 451.405 4.634 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCC(c4ccc(C)nc4)CC3)cc2)c(C)c1Br ZINC001458233879 1067009109 /nfs/dbraw/zinc/00/91/09/1067009109.db2.gz MTPFHXCQHZUAST-UHFFFAOYSA-N 0 0 453.384 4.975 20 0 JJADRN O=S(=O)(c1ccc(Sc2nnc(-c3cccs3)n2Cc2ccco2)cc1)C(F)F ZINC001458237920 1067009645 /nfs/dbraw/zinc/00/96/45/1067009645.db2.gz PVTHSGZUVXZTGI-UHFFFAOYSA-N 0 0 453.517 4.795 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CCCC1 ZINC001449457083 1067010141 /nfs/dbraw/zinc/01/01/41/1067010141.db2.gz XDJUKSHPNNZFOI-CQSZACIVSA-N 0 0 451.386 4.558 20 0 JJADRN COCC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccco1 ZINC001458240977 1067010096 /nfs/dbraw/zinc/01/00/96/1067010096.db2.gz CPTFALCBQQTZAJ-SJLPKXTDSA-N 0 0 456.461 4.758 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@]3(C2)CCCOC3)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743646 1067010210 /nfs/dbraw/zinc/01/02/10/1067010210.db2.gz OLLQRRGAVKKNCJ-CUNXSJBXSA-N 0 0 483.657 4.742 20 0 JJADRN O=C(NC[C@H](c1nnc[nH]1)c1ccccc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452235 1067010216 /nfs/dbraw/zinc/01/02/16/1067010216.db2.gz IGPNQJKXWKOXSU-UGKGYDQZSA-N 0 0 450.514 4.865 20 0 JJADRN CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001545743854 1067010609 /nfs/dbraw/zinc/01/06/09/1067010609.db2.gz RXRKPLUYHSGSEZ-XRODADMRSA-N 0 0 476.669 4.905 20 0 JJADRN C[C@@](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)(c1ccc(F)cc1)C(F)(F)F ZINC001458243918 1067010955 /nfs/dbraw/zinc/01/09/55/1067010955.db2.gz GZWDOENVPVSJGB-GOSISDBHSA-N 0 0 457.474 4.732 20 0 JJADRN CC[C@@H](Cn1c(N(CCOC)Cc2ccccc2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014641 1067011045 /nfs/dbraw/zinc/01/10/45/1067011045.db2.gz LPDHZJVTAGWZRD-FQEVSTJZSA-N 0 0 459.635 4.532 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001545744128 1067011043 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MDUDKSPXXWOZAW-VIICAESSSA-N 0 0 456.631 4.518 20 0 JJADRN COc1cc(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc(Br)c1OC ZINC001458245955 1067011510 /nfs/dbraw/zinc/01/15/10/1067011510.db2.gz KYDHQIXMXIJBOF-KRWDZBQOSA-N 0 0 450.226 4.813 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001458246018 1067011543 /nfs/dbraw/zinc/01/15/43/1067011543.db2.gz LPQRKHDKBNPCPO-JXFKEZNVSA-N 0 0 450.501 4.889 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCCO)c1ccccc1 ZINC001545745229 1067011627 /nfs/dbraw/zinc/01/16/27/1067011627.db2.gz XQPBKZVNWNJAHZ-AFMDSPMNSA-N 0 0 458.558 4.544 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545745367 1067011741 /nfs/dbraw/zinc/01/17/41/1067011741.db2.gz ALVKHCRRRPQZHY-CURCQILKSA-N 0 0 468.642 4.805 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001458248202 1067011722 /nfs/dbraw/zinc/01/17/22/1067011722.db2.gz QZFGILBOZRIOFJ-AOMKIAJQSA-N 0 0 452.448 4.503 20 0 JJADRN COc1cc(/C=C(/C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c2ccccc2)ccc1O ZINC001449504446 1067012035 /nfs/dbraw/zinc/01/20/35/1067012035.db2.gz DIUIZOSSFNRXKY-KOWBDXASSA-N 0 0 457.530 4.792 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCOC)c1ccccc1 ZINC001545745475 1067012127 /nfs/dbraw/zinc/01/21/27/1067012127.db2.gz BNWFCSMRPOHSSN-ILWGZMRPSA-N 0 0 471.646 4.596 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1ccc(O)c2ncccc12 ZINC001449513301 1067012282 /nfs/dbraw/zinc/01/22/82/1067012282.db2.gz CVJRPLPGEGXTPP-UHFFFAOYSA-N 0 0 455.345 4.909 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCO[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545745649 1067012512 /nfs/dbraw/zinc/01/25/12/1067012512.db2.gz DUDUVVAOEMDJMB-KOVSNXQUSA-N 0 0 467.658 4.507 20 0 JJADRN COCCNC(=O)[C@H](CC(C)C)Nc1nc2sc3c(c2c(-c2ccc(C)cc2)n1)CCC3 ZINC001458252533 1067012538 /nfs/dbraw/zinc/01/25/38/1067012538.db2.gz GMBSDFKBEUWYCP-IBGZPJMESA-N 0 0 452.624 4.745 20 0 JJADRN CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001546015016 1067012600 /nfs/dbraw/zinc/01/26/00/1067012600.db2.gz SELOFIBIIWQDEP-QGZVFWFLSA-N 0 0 474.030 4.615 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545745858 1067012814 /nfs/dbraw/zinc/01/28/14/1067012814.db2.gz HNYYNUZUIDMOMO-JTHBVZDNSA-N 0 0 467.658 4.509 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001546015054 1067012979 /nfs/dbraw/zinc/01/29/79/1067012979.db2.gz SNMIZETXLVLBGI-ICSRJNTNSA-N 0 0 461.035 4.724 20 0 JJADRN CC[C@@H](Cn1c(N(CC)C[C@@H]2COc3ccccc3O2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015145 1067013338 /nfs/dbraw/zinc/01/33/38/1067013338.db2.gz VCNUBJVEDLQJBN-RBUKOAKNSA-N 0 0 487.645 4.545 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)c(C)c2)cc1 ZINC001458255514 1067013629 /nfs/dbraw/zinc/01/36/29/1067013629.db2.gz HUGBJKRRRZOLOE-UHFFFAOYSA-N 0 0 459.951 4.839 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C)C2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545746032 1067013630 /nfs/dbraw/zinc/01/36/30/1067013630.db2.gz JKKMCFNFOUVVPB-TZIWHRDSSA-N 0 0 462.585 4.887 20 0 JJADRN CC(C)(C)n1nc(Br)c2c1ncnc2NCCc1nc(-c2ccncc2)cs1 ZINC001458255378 1067013690 /nfs/dbraw/zinc/01/36/90/1067013690.db2.gz UONJWAWZCZKPPC-UHFFFAOYSA-N 0 0 458.389 4.517 20 0 JJADRN CC[C@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015243 1067013697 /nfs/dbraw/zinc/01/36/97/1067013697.db2.gz WXOJORZHHGRXQN-IBVKSMDESA-N 0 0 474.621 4.942 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746282 1067013845 /nfs/dbraw/zinc/01/38/45/1067013845.db2.gz MNTJIMVSDIXMMF-LADGPHEKSA-N 0 0 479.673 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC001458256259 1067013890 /nfs/dbraw/zinc/01/38/90/1067013890.db2.gz JYXUWFAXNSQSAK-UHFFFAOYSA-N 0 0 457.546 4.567 20 0 JJADRN COc1ccc(C2(C(=O)N[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC001458256431 1067013901 /nfs/dbraw/zinc/01/39/01/1067013901.db2.gz KNYDAHOWJFLXDU-FYYLOGMGSA-N 0 0 458.961 4.776 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC001449540169 1067014063 /nfs/dbraw/zinc/01/40/63/1067014063.db2.gz IWXYDPDOLXGFKC-LJQANCHMSA-N 0 0 450.482 4.663 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1 ZINC001545746344 1067014201 /nfs/dbraw/zinc/01/42/01/1067014201.db2.gz NLUAPXMBXQQWFK-GSPCLOLRSA-N 0 0 481.685 4.752 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545746349 1067014305 /nfs/dbraw/zinc/01/43/05/1067014305.db2.gz NNALXWFTCYBZID-RXVVDRJESA-N 0 0 472.058 4.936 20 0 JJADRN CC(C)COc1cccc(OCC(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458256562 1067014285 /nfs/dbraw/zinc/01/42/85/1067014285.db2.gz SMZCRFAZBOUTRQ-UHFFFAOYSA-N 0 0 450.322 4.731 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001449546611 1067014398 /nfs/dbraw/zinc/01/43/98/1067014398.db2.gz XYKCBHFGDHTCIO-AWEZNQCLSA-N 0 0 452.654 4.773 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746284 1067014360 /nfs/dbraw/zinc/01/43/60/1067014360.db2.gz MNTJIMVSDIXMMF-VWNXMTODSA-N 0 0 479.673 4.760 20 0 JJADRN O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001449546671 1067014429 /nfs/dbraw/zinc/01/44/29/1067014429.db2.gz XYXDTGJRSIELKS-SFHVURJKSA-N 0 0 452.816 4.889 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545746480 1067014595 /nfs/dbraw/zinc/01/45/95/1067014595.db2.gz PKJZANCZUJWKPQ-NJDAHSKKSA-N 0 0 457.688 4.560 20 0 JJADRN COc1c(Br)cccc1C(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001458257882 1067014770 /nfs/dbraw/zinc/01/47/70/1067014770.db2.gz XPSDZTDVEWPFPX-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458259451 1067014888 /nfs/dbraw/zinc/01/48/88/1067014888.db2.gz QVBIDXVNVOZRPN-FXAWDEMLSA-N 0 0 457.304 4.761 20 0 JJADRN CC(C)C[C@H](C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N1CCCCC1=O ZINC001458259459 1067015019 /nfs/dbraw/zinc/01/50/19/1067015019.db2.gz QEHZRGQVBJZITI-OAQYLSRUSA-N 0 0 454.442 4.501 20 0 JJADRN CC(C)C[C@@H](C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N1CCCCC1=O ZINC001458259453 1067015046 /nfs/dbraw/zinc/01/50/46/1067015046.db2.gz QEHZRGQVBJZITI-NRFANRHFSA-N 0 0 454.442 4.501 20 0 JJADRN COc1ccc(COCCC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001458260489 1067015438 /nfs/dbraw/zinc/01/54/38/1067015438.db2.gz RATCUIIDHBRXSD-UHFFFAOYSA-N 0 0 451.394 4.690 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)F)C2)n1CC[C@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545746624 1067015308 /nfs/dbraw/zinc/01/53/08/1067015308.db2.gz RXWDFNSHFAXCIE-PWRODBHTSA-N 0 0 497.581 4.658 20 0 JJADRN COCC[C@@H](NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)c1cccc(C(F)(F)F)c1 ZINC001449572356 1067015360 /nfs/dbraw/zinc/01/53/60/1067015360.db2.gz AMYDZNSKWDCUCX-KURKYZTESA-N 0 0 472.458 4.810 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545746724 1067015681 /nfs/dbraw/zinc/01/56/81/1067015681.db2.gz UBLHAXIWKINYNR-REWPJTCUSA-N 0 0 451.640 4.591 20 0 JJADRN Cc1nc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)sc1Br ZINC001546015608 1067016400 /nfs/dbraw/zinc/01/64/00/1067016400.db2.gz GFYQBPNUGQHXSH-QFIPXVFZSA-N 0 0 457.393 4.690 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458265525 1067016416 /nfs/dbraw/zinc/01/64/16/1067016416.db2.gz MBSAWRHEDFXUDQ-PKOBYXMFSA-N 0 0 458.839 4.858 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1c(F)cccc1-n1cccn1 ZINC001458266864 1067016492 /nfs/dbraw/zinc/01/64/92/1067016492.db2.gz ZKNWWXSOXWGXDQ-UHFFFAOYSA-N 0 0 450.514 4.717 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545746988 1067016466 /nfs/dbraw/zinc/01/64/66/1067016466.db2.gz XWMCHAAYRICNHX-OAQYLSRUSA-N 0 0 483.657 4.740 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270689 1067016966 /nfs/dbraw/zinc/01/69/66/1067016966.db2.gz BXLMHRRURZPOFH-QFIPXVFZSA-N 0 0 456.464 4.935 20 0 JJADRN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1(C)C ZINC001458270717 1067017031 /nfs/dbraw/zinc/01/70/31/1067017031.db2.gz ATJCHINFFRRMFN-JDORSLCVSA-N 0 0 454.368 4.849 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1)NC(N)=O ZINC001449608026 1067017583 /nfs/dbraw/zinc/01/75/83/1067017583.db2.gz OXJGALXGBSUOTK-YADHBBJMSA-N 0 0 458.587 4.804 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)CCC(=O)N2C)cc1 ZINC001458272365 1067017568 /nfs/dbraw/zinc/01/75/68/1067017568.db2.gz NYNJLPUBSAUTNN-SGXKBVARSA-N 0 0 455.624 4.851 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)COCc1cccc(OC)c1 ZINC001458272318 1067017633 /nfs/dbraw/zinc/01/76/33/1067017633.db2.gz MZTYJSHVFRCGPW-NRFANRHFSA-N 0 0 450.501 4.748 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545748584 1067017744 /nfs/dbraw/zinc/01/77/44/1067017744.db2.gz CEXDFVLJOBBUEB-NNMXDRDESA-N 0 0 469.655 4.895 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1cc(OC)ccc1OC ZINC001458272385 1067017647 /nfs/dbraw/zinc/01/76/47/1067017647.db2.gz OHDRTPFLUYMPDQ-FQEVSTJZSA-N 0 0 450.501 4.783 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Oc3ccc(C(=O)Nc4ccccc4)cc3)no2)c1 ZINC001458271878 1067017731 /nfs/dbraw/zinc/01/77/31/1067017731.db2.gz JLEBQSVREYZMRY-UHFFFAOYSA-N 0 0 456.454 4.928 20 0 JJADRN CCO[C@@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC001458272260 1067017789 /nfs/dbraw/zinc/01/77/89/1067017789.db2.gz MBSWMZCPXVGIKD-FGZHOGPDSA-N 0 0 451.485 4.751 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C(F)F ZINC001458272081 1067017802 /nfs/dbraw/zinc/01/78/02/1067017802.db2.gz DLGPDAKWHJWHJQ-UHFFFAOYSA-N 0 0 456.923 4.986 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1OCC ZINC001458272129 1067017828 /nfs/dbraw/zinc/01/78/28/1067017828.db2.gz DUPUQEVJYSXKIX-UHFFFAOYSA-N 0 0 455.523 4.741 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001546015781 1067018314 /nfs/dbraw/zinc/01/83/14/1067018314.db2.gz LMYGVDAFDWHDEG-UHFFFAOYSA-N 0 0 459.612 4.580 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545748909 1067018802 /nfs/dbraw/zinc/01/88/02/1067018802.db2.gz HBLZJXDDGCTADD-FCHUYYIVSA-N 0 0 466.630 4.928 20 0 JJADRN CC(C)Cc1ncnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c1I ZINC001458275004 1067018885 /nfs/dbraw/zinc/01/88/85/1067018885.db2.gz FQGPHJICBDQBHV-CYBMUJFWSA-N 0 0 457.743 4.591 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCc1cccs1)c1ccccc1 ZINC001545748974 1067018954 /nfs/dbraw/zinc/01/89/54/1067018954.db2.gz HWKHFTMHWVTQFG-GGAORHGYSA-N 0 0 465.667 4.865 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1C(F)F ZINC001458275722 1067019105 /nfs/dbraw/zinc/01/91/05/1067019105.db2.gz SGABVIVGVZSRHI-UHFFFAOYSA-N 0 0 459.474 4.924 20 0 JJADRN COC(=O)CCSCCNc1cc(C(F)(F)F)nc2c(F)cc(Br)cc12 ZINC001458276299 1067019146 /nfs/dbraw/zinc/01/91/46/1067019146.db2.gz JWYHOLPGIZRERR-UHFFFAOYSA-N 0 0 455.271 4.863 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545749073 1067019177 /nfs/dbraw/zinc/01/91/77/1067019177.db2.gz JSGKWDXSCDLIBE-FCHUYYIVSA-N 0 0 465.667 4.964 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2F)cc1C(F)F ZINC001458278277 1067019507 /nfs/dbraw/zinc/01/95/07/1067019507.db2.gz YUJIDMVBTRXRSM-UHFFFAOYSA-N 0 0 456.667 4.835 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001449652435 1067019491 /nfs/dbraw/zinc/01/94/91/1067019491.db2.gz ONPSNTMKSDKTRM-AZUAARDMSA-N 0 0 455.555 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC001449684941 1067019700 /nfs/dbraw/zinc/01/97/00/1067019700.db2.gz BUSKMSDGUCUMKW-MSOLQXFVSA-N 0 0 458.990 4.635 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016249 1067019828 /nfs/dbraw/zinc/01/98/28/1067019828.db2.gz ACASLNHQSIXGQX-WOJBJXKFSA-N 0 0 466.548 4.721 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545749463 1067020247 /nfs/dbraw/zinc/02/02/47/1067020247.db2.gz OHVSZZXHMNIUPF-RTWAWAEBSA-N 0 0 476.547 4.573 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[C@H]1C)c1ccccc1 ZINC001545749409 1067020259 /nfs/dbraw/zinc/02/02/59/1067020259.db2.gz NOLFILXNKPJDNS-AYVPJYCDSA-N 0 0 451.659 4.997 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545749412 1067020311 /nfs/dbraw/zinc/02/03/11/1067020311.db2.gz NOLFILXNKPJDNS-TWDDROGUSA-N 0 0 451.659 4.997 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)[C@@H](CC)CSC)c2c1C ZINC001458281321 1067020283 /nfs/dbraw/zinc/02/02/83/1067020283.db2.gz LUNVKBSUPMHNJF-INIZCTEOSA-N 0 0 450.674 4.740 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC001449690026 1067020305 /nfs/dbraw/zinc/02/03/05/1067020305.db2.gz GVHFQQGNXUUMHA-ROUUACIJSA-N 0 0 458.990 4.839 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1[C@@H]1CCCOC1 ZINC001449692402 1067020849 /nfs/dbraw/zinc/02/08/49/1067020849.db2.gz IESVFNFDDYDQMN-BHDDXSALSA-N 0 0 459.631 4.566 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@](C)(O)C1CC1)c1ccccc1 ZINC001545749702 1067021039 /nfs/dbraw/zinc/02/10/39/1067021039.db2.gz RIQNJVNHTRXDJK-MZKRTTBSSA-N 0 0 466.548 4.529 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@](C)(O)C1CC1)c1ccccc1 ZINC001545749703 1067021103 /nfs/dbraw/zinc/02/11/03/1067021103.db2.gz RIQNJVNHTRXDJK-TXTKFYIRSA-N 0 0 466.548 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)C1 ZINC001449694378 1067021063 /nfs/dbraw/zinc/02/10/63/1067021063.db2.gz JWSFCHZXFLMKLT-HUUCEWRRSA-N 0 0 455.368 4.697 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC001449695281 1067021154 /nfs/dbraw/zinc/02/11/54/1067021154.db2.gz JGOYEADURYQTKJ-CZUORRHYSA-N 0 0 450.448 4.960 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](COC)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545749691 1067021190 /nfs/dbraw/zinc/02/11/90/1067021190.db2.gz REHMGPCMVJFHOE-OFNKIYASSA-N 0 0 483.657 4.550 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458285061 1067021290 /nfs/dbraw/zinc/02/12/90/1067021290.db2.gz CFIXSAOFINBGER-LAUBAEHRSA-N 0 0 458.484 4.932 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458285072 1067021409 /nfs/dbraw/zinc/02/14/09/1067021409.db2.gz CFIXSAOFINBGER-UWJYYQICSA-N 0 0 458.484 4.932 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545749898 1067021549 /nfs/dbraw/zinc/02/15/49/1067021549.db2.gz VMAKCKRRLUVNBD-NHCUHLMSSA-N 0 0 467.589 4.827 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545749934 1067021562 /nfs/dbraw/zinc/02/15/62/1067021562.db2.gz VVTYQWKHBPNJOJ-QPXUXIHVSA-N 0 0 481.685 4.766 20 0 JJADRN Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449699661 1067021569 /nfs/dbraw/zinc/02/15/69/1067021569.db2.gz MLBNZUJWFWLIOQ-RTBURBONSA-N 0 0 457.546 4.898 20 0 JJADRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001458286294 1067021757 /nfs/dbraw/zinc/02/17/57/1067021757.db2.gz GMNIEBVZYHFNGN-JOCHJYFZSA-N 0 0 455.963 4.958 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545750156 1067021823 /nfs/dbraw/zinc/02/18/23/1067021823.db2.gz YSZAREZFLJLIGA-NHCUHLMSSA-N 0 0 477.506 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCCc2cccc(C(F)(F)F)c2)C1 ZINC001449706398 1067021996 /nfs/dbraw/zinc/02/19/96/1067021996.db2.gz SOJWAROCHBLIED-INIZCTEOSA-N 0 0 450.448 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)C2)C1 ZINC001449704473 1067022078 /nfs/dbraw/zinc/02/20/78/1067022078.db2.gz OPEXSMKREVXJNY-PKTZIBPZSA-N 0 0 456.627 4.830 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449706736 1067022087 /nfs/dbraw/zinc/02/20/87/1067022087.db2.gz QIEKQHOYZMWURR-NHCUHLMSSA-N 0 0 452.599 4.803 20 0 JJADRN Cc1c(Br)scc1C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449708777 1067022125 /nfs/dbraw/zinc/02/21/25/1067022125.db2.gz QYHWOYSWQCWBBK-CABCVRRESA-N 0 0 457.434 4.928 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545750169 1067022405 /nfs/dbraw/zinc/02/24/05/1067022405.db2.gz YUFIBAGDSRNCBS-ILWGZMRPSA-N 0 0 471.646 4.691 20 0 JJADRN 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CCOCCOc1ccc(Br)cc1NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001458290712 1067022714 /nfs/dbraw/zinc/02/27/14/1067022714.db2.gz BYLUNKXMXLWKBI-UHFFFAOYSA-N 0 0 450.226 4.873 20 0 JJADRN O=C(Cc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458292606 1067022726 /nfs/dbraw/zinc/02/27/26/1067022726.db2.gz QDHYHLFLTYIXHM-GOSISDBHSA-N 0 0 459.295 4.862 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCc3cccc(C(=O)OC(C)(C)C)c3)cs2)cc1OC ZINC001458291125 1067022857 /nfs/dbraw/zinc/02/28/57/1067022857.db2.gz FQDFKKTZGWSPBP-UHFFFAOYSA-N 0 0 454.548 4.713 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458290247 1067022906 /nfs/dbraw/zinc/02/29/06/1067022906.db2.gz BDIBOQYLBUMBES-XBQPPWKQSA-N 0 0 456.558 4.643 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458290245 1067022934 /nfs/dbraw/zinc/02/29/34/1067022934.db2.gz BDIBOQYLBUMBES-QQPTYUHPSA-N 0 0 456.558 4.643 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1 ZINC001449717897 1067023264 /nfs/dbraw/zinc/02/32/64/1067023264.db2.gz ZHMFJXCHOLKOPR-DZFGPLHGSA-N 0 0 458.647 4.645 20 0 JJADRN CC[C@H](c1nnc(N2CCCc3sccc3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545751304 1067023280 /nfs/dbraw/zinc/02/32/80/1067023280.db2.gz CMSFMGJUMVXPRV-QFIPXVFZSA-N 0 0 465.667 4.997 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)cc1 ZINC001458295027 1067023733 /nfs/dbraw/zinc/02/37/33/1067023733.db2.gz WGTBXLWQFFYMCZ-UONOGXRCSA-N 0 0 456.391 4.558 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(CC)C(=O)C2)n1CCCOC1CCCCC1)c1ccccc1 ZINC001545751383 1067024111 /nfs/dbraw/zinc/02/41/11/1067024111.db2.gz DXVQVVSQMDHEDP-DEOSSOPVSA-N 0 0 467.658 4.618 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)C1(Cc2cccc(Cl)c2)CC1 ZINC001449740269 1067024112 /nfs/dbraw/zinc/02/41/12/1067024112.db2.gz LJLAVUIMPPPABW-OAHLLOKOSA-N 0 0 454.767 4.532 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1F ZINC001458295370 1067024212 /nfs/dbraw/zinc/02/42/12/1067024212.db2.gz XGGQOMIGPDZCQC-MEJUDOHFSA-N 0 0 457.420 4.683 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545751529 1067024581 /nfs/dbraw/zinc/02/45/81/1067024581.db2.gz HEYBEVKCNXHGQM-VSKRKVRLSA-N 0 0 479.591 4.710 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(F)(F)F ZINC001458301222 1067025198 /nfs/dbraw/zinc/02/51/98/1067025198.db2.gz HOPOJDRWMBQIQB-IBGZPJMESA-N 0 0 451.832 4.905 20 0 JJADRN COc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)ccc1OCc1cscn1 ZINC001458301048 1067025265 /nfs/dbraw/zinc/02/52/65/1067025265.db2.gz WMNLCEDOSCDESH-UHFFFAOYSA-N 0 0 455.927 4.730 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001545751920 1067025597 /nfs/dbraw/zinc/02/55/97/1067025597.db2.gz NOIOJAIYEHXJTL-RCZVLFRGSA-N 0 0 456.656 4.581 20 0 JJADRN COc1ccc([C@H](C)OC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c(Br)c1 ZINC001458306552 1067025522 /nfs/dbraw/zinc/02/55/22/1067025522.db2.gz YBGSDNIGHVSJEI-JKSUJKDBSA-N 0 0 455.393 4.530 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001545751919 1067025777 /nfs/dbraw/zinc/02/57/77/1067025777.db2.gz NOIOJAIYEHXJTL-DHLKQENFSA-N 0 0 456.656 4.581 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449763160 1067026444 /nfs/dbraw/zinc/02/64/44/1067026444.db2.gz YFQBXRHEQLIWOU-JEYLPNPQSA-N 0 0 450.004 4.883 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC3(CCOCC3)C2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545752119 1067026657 /nfs/dbraw/zinc/02/66/57/1067026657.db2.gz REWDXSMCZCRYBM-DHYKOVJISA-N 0 0 472.699 4.764 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016651 1067026845 /nfs/dbraw/zinc/02/68/45/1067026845.db2.gz IBBJAQFXYLALTC-YTFSRNRJSA-N 0 0 496.700 4.937 20 0 JJADRN CCc1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1Cc1ccccc1 ZINC001458312920 1067026910 /nfs/dbraw/zinc/02/69/10/1067026910.db2.gz CEUXMQSJJWGKSX-SFHVURJKSA-N 0 0 456.390 4.941 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458313901 1067027249 /nfs/dbraw/zinc/02/72/49/1067027249.db2.gz DDZBCSDHICRHBX-MBSDFSHPSA-N 0 0 456.583 4.755 20 0 JJADRN CC[C@H](c1nnc(N2CCCO[C@@H](C)C2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545752309 1067027318 /nfs/dbraw/zinc/02/73/18/1067027318.db2.gz UYKHHZBQAFMTLG-HKUYNNGSSA-N 0 0 454.644 4.633 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H](CCOC)Cc3cccc(Br)c3)ccc2[nH]1 ZINC001458314208 1067027450 /nfs/dbraw/zinc/02/74/50/1067027450.db2.gz BGGYTDRXRDRESG-INIZCTEOSA-N 0 0 457.368 4.687 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458313905 1067027499 /nfs/dbraw/zinc/02/74/99/1067027499.db2.gz DDZBCSDHICRHBX-WZONZLPQSA-N 0 0 456.583 4.755 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C2=O)cc1 ZINC001449781366 1067027798 /nfs/dbraw/zinc/02/77/98/1067027798.db2.gz GYTRJYCINYPZCO-ICSRJNTNSA-N 0 0 459.359 4.868 20 0 JJADRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(N2CCCC2)ncc1Cl ZINC001458314761 1067027789 /nfs/dbraw/zinc/02/77/89/1067027789.db2.gz GTLLGNQISXJIPE-AWEZNQCLSA-N 0 0 452.786 4.782 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C2=O)cc1 ZINC001449781383 1067027854 /nfs/dbraw/zinc/02/78/54/1067027854.db2.gz GYTRJYCINYPZCO-QUCCMNQESA-N 0 0 459.359 4.868 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001458315754 1067028179 /nfs/dbraw/zinc/02/81/79/1067028179.db2.gz MYKOTLNDFKPBMC-UHFFFAOYSA-N 0 0 457.378 4.584 20 0 JJADRN COc1cc(NC(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)cc(OC)c1Br ZINC001458315841 1067028187 /nfs/dbraw/zinc/02/81/87/1067028187.db2.gz NLKCYUIYSGGPAC-VOTSOKGWSA-N 0 0 452.301 4.667 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545752464 1067028253 /nfs/dbraw/zinc/02/82/53/1067028253.db2.gz YALWSMQSKBSQLZ-FGZHOGPDSA-N 0 0 472.680 4.642 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(C2CCOCC2)s1)c1ccc(F)cc1F ZINC001449788934 1067028512 /nfs/dbraw/zinc/02/85/12/1067028512.db2.gz PJUMKDHGAUTXJT-QGZVFWFLSA-N 0 0 453.511 4.520 20 0 JJADRN COc1ccc([C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(Br)c1 ZINC001458317360 1067028570 /nfs/dbraw/zinc/02/85/70/1067028570.db2.gz LKCLXMLLJWYLNI-UONOGXRCSA-N 0 0 450.304 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H]2CCc3c2ccc(F)c3Br)C(C)(C)C1 ZINC001449792066 1067028714 /nfs/dbraw/zinc/02/87/14/1067028714.db2.gz TUOKBMLCWGTYMU-HOCLYGCPSA-N 0 0 455.368 4.585 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccc(C)nc1)c1ccccc1 ZINC001545752595 1067028758 /nfs/dbraw/zinc/02/87/58/1067028758.db2.gz ZWAOWQKMLHAEEL-RUZDIDTESA-N 0 0 490.652 4.876 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CO ZINC001449795940 1067028992 /nfs/dbraw/zinc/02/89/92/1067028992.db2.gz HIVDZYFBMMABJO-ZDUSSCGKSA-N 0 0 458.440 4.753 20 0 JJADRN CON(C(=O)c1c(Cl)ccc(I)c1F)[C@@H](C)c1csc(C)n1 ZINC001449795987 1067029204 /nfs/dbraw/zinc/02/92/04/1067029204.db2.gz NYORERDONWSCGY-ZETCQYMHSA-N 0 0 454.692 4.613 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@@H]2CCCC(F)(F)C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001545753073 1067029272 /nfs/dbraw/zinc/02/92/72/1067029272.db2.gz JHGVIOCOCSOQQY-LJQANCHMSA-N 0 0 450.551 4.583 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1)NC(=O)OC(C)(C)C ZINC001546016910 1067029337 /nfs/dbraw/zinc/02/93/37/1067029337.db2.gz LHBXBNPJPYAOIB-FCHUYYIVSA-N 0 0 483.657 4.667 20 0 JJADRN C[C@H](CO)n1c2ccc(NC(=O)Cn3ccc4ccc(Cl)cc43)cc2nc1C(F)(F)F ZINC001449797126 1067029363 /nfs/dbraw/zinc/02/93/63/1067029363.db2.gz JFCIVYYBXBOBLW-GFCCVEGCSA-N 0 0 450.848 4.855 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458320993 1067029831 /nfs/dbraw/zinc/02/98/31/1067029831.db2.gz WVAJYSGPKPRIID-QGZVFWFLSA-N 0 0 458.358 4.501 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545753980 1067030120 /nfs/dbraw/zinc/03/01/20/1067030120.db2.gz CFJBKEQOZAWGED-OHUMZHCVSA-N 0 0 483.657 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545754064 1067030197 /nfs/dbraw/zinc/03/01/97/1067030197.db2.gz DYRQRBIYGZJHGZ-XUZZJYLKSA-N 0 0 490.652 4.903 20 0 JJADRN Cc1cc(F)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(I)c1 ZINC001458322255 1067030062 /nfs/dbraw/zinc/03/00/62/1067030062.db2.gz OXVOODCYPWKDCQ-HNNXBMFYSA-N 0 0 455.267 4.549 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545754301 1067030785 /nfs/dbraw/zinc/03/07/85/1067030785.db2.gz KAXJGRKEIUEUKK-AUSIDOKSSA-N 0 0 478.641 4.533 20 0 JJADRN CCO[C@H](C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC001458324959 1067031035 /nfs/dbraw/zinc/03/10/35/1067031035.db2.gz ZULFHVMMFVTZTA-CZAAIQMYSA-N 0 0 455.448 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545754373 1067031010 /nfs/dbraw/zinc/03/10/10/1067031010.db2.gz LRDJFLFKKLXLQS-FUHWJXTLSA-N 0 0 467.536 4.685 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545754528 1067031313 /nfs/dbraw/zinc/03/13/13/1067031313.db2.gz PEAACTLSCNKIME-UNMCSNQZSA-N 0 0 483.657 4.571 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001458325721 1067031266 /nfs/dbraw/zinc/03/12/66/1067031266.db2.gz WFJZCIIGZOVSKE-NBQZKYEYSA-N 0 0 451.792 4.821 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1OCCC1(C)C)c1ccccc1 ZINC001545754745 1067031580 /nfs/dbraw/zinc/03/15/80/1067031580.db2.gz UFPQHNLYYGDWDR-VXKWHMMOSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1OCCC1(C)C)c1ccccc1 ZINC001545754744 1067031624 /nfs/dbraw/zinc/03/16/24/1067031624.db2.gz UFPQHNLYYGDWDR-FGZHOGPDSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545754742 1067031654 /nfs/dbraw/zinc/03/16/54/1067031654.db2.gz UFNUJBCQUKVSJL-QHCPKHFHSA-N 0 0 495.693 4.907 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc2nc1C(F)(F)F ZINC001449840542 1067031653 /nfs/dbraw/zinc/03/16/53/1067031653.db2.gz NEQRYSJGRINTJB-AWEZNQCLSA-N 0 0 457.456 4.651 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001458327544 1067031875 /nfs/dbraw/zinc/03/18/75/1067031875.db2.gz VVVDTTXISHCSMJ-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H]2CSC)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017615 1067031934 /nfs/dbraw/zinc/03/19/34/1067031934.db2.gz YDELNZMCQAPAEF-QFZWGZQFSA-N 0 0 458.672 4.844 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545754898 1067032096 /nfs/dbraw/zinc/03/20/96/1067032096.db2.gz YFSQBJSJGXYGFJ-OEMFJLHTSA-N 0 0 466.674 4.840 20 0 JJADRN CO[C@H](C)CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001449850211 1067032074 /nfs/dbraw/zinc/03/20/74/1067032074.db2.gz SJVYBWQVYIHZTA-BCHFMIIMSA-N 0 0 458.558 4.808 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H]2CSC)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017612 1067032132 /nfs/dbraw/zinc/03/21/32/1067032132.db2.gz YDELNZMCQAPAEF-JLRUASKGSA-N 0 0 458.672 4.844 20 0 JJADRN Cc1nc(C)c(Br)c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC001458331388 1067032370 /nfs/dbraw/zinc/03/23/70/1067032370.db2.gz UKGLMGMYEBPLCT-UHFFFAOYSA-N 0 0 457.294 4.591 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)c2cn3ccc(Br)cc3n2)cc1Cl ZINC001458330087 1067032591 /nfs/dbraw/zinc/03/25/91/1067032591.db2.gz GBQUKHHYWJGDCL-UHFFFAOYSA-N 0 0 459.127 4.681 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)NCCc3ccccc3N3CCOCC3)cc2)cs1 ZINC001449851201 1067032535 /nfs/dbraw/zinc/03/25/35/1067032535.db2.gz VKQWCKQZJNUGJV-UHFFFAOYSA-N 0 0 453.633 4.553 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545756115 1067032971 /nfs/dbraw/zinc/03/29/71/1067032971.db2.gz AYTLJXVDMZRLFH-GHTZIAJQSA-N 0 0 480.682 4.679 20 0 JJADRN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC001449872025 1067033131 /nfs/dbraw/zinc/03/31/31/1067033131.db2.gz AQLKLCCCVRAFEC-OALUTQOASA-N 0 0 456.384 4.709 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545756225 1067033137 /nfs/dbraw/zinc/03/31/37/1067033137.db2.gz CYNGBZJRFHOMTL-RBZQAINGSA-N 0 0 483.657 4.550 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545756227 1067033476 /nfs/dbraw/zinc/03/34/76/1067033476.db2.gz CYNGBZJRFHOMTL-VXNXHJTFSA-N 0 0 483.657 4.550 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC001458334283 1067033495 /nfs/dbraw/zinc/03/34/95/1067033495.db2.gz LGIDPJZOIOVHMO-UHFFFAOYSA-N 0 0 455.549 4.765 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2nccnc2C)CCO1 ZINC001546099515 1067033720 /nfs/dbraw/zinc/03/37/20/1067033720.db2.gz GTEMZYQDVGVEAT-MHZLTWQESA-N 0 0 478.641 4.501 20 0 JJADRN CN(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1)C(=O)OC(C)(C)C ZINC001449894351 1067034580 /nfs/dbraw/zinc/03/45/80/1067034580.db2.gz BBULIBKBZZFIEQ-OAQYLSRUSA-N 0 0 451.567 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3ncnc4cc(Br)sc43)C2)C1 ZINC001458339099 1067034677 /nfs/dbraw/zinc/03/46/77/1067034677.db2.gz RUSGZQOBFSBETO-IBGZPJMESA-N 0 0 453.406 4.681 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)NCC1(c3cccc(Cl)c3)CCCCC1)CC2 ZINC001449895030 1067034690 /nfs/dbraw/zinc/03/46/90/1067034690.db2.gz HIQRWOKLNYKBQB-UHFFFAOYSA-N 0 0 457.014 4.734 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC001458338535 1067034791 /nfs/dbraw/zinc/03/47/91/1067034791.db2.gz PVGCBKRNEJIODG-HXUWFJFHSA-N 0 0 452.839 4.683 20 0 JJADRN CO[C@](C)(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001449899463 1067035272 /nfs/dbraw/zinc/03/52/72/1067035272.db2.gz HJTFLPKEIDKRNZ-XMMPIXPASA-N 0 0 452.348 4.972 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545757167 1067035211 /nfs/dbraw/zinc/03/52/11/1067035211.db2.gz VBPMMEYYMXMDQH-HZEGPAAWSA-N 0 0 477.575 4.856 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545757235 1067035362 /nfs/dbraw/zinc/03/53/62/1067035362.db2.gz WADYWHYXESVITF-IFMALSPDSA-N 0 0 482.698 4.975 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCOC(F)F)c1ccccc1 ZINC001545757279 1067035576 /nfs/dbraw/zinc/03/55/76/1067035576.db2.gz WRCMZSBLHBIJIY-SJLPKXTDSA-N 0 0 475.506 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757319 1067035690 /nfs/dbraw/zinc/03/56/90/1067035690.db2.gz XIBXTZLQRZAUOJ-DHIUTWEWSA-N 0 0 481.714 4.658 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545757320 1067035847 /nfs/dbraw/zinc/03/58/47/1067035847.db2.gz XIBXTZLQRZAUOJ-GOTSBHOMSA-N 0 0 481.714 4.658 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1C(C)C ZINC001458341880 1067035855 /nfs/dbraw/zinc/03/58/55/1067035855.db2.gz CHEABCPOFLTBLK-QGZVFWFLSA-N 0 0 451.350 4.669 20 0 JJADRN COc1cc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc(OC)c1C(C)C ZINC001458341781 1067035953 /nfs/dbraw/zinc/03/59/53/1067035953.db2.gz OPFDWLXXCDKXBL-HKWRFOASSA-N 0 0 459.506 4.711 20 0 JJADRN COc1cc(CC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC ZINC001458343068 1067036095 /nfs/dbraw/zinc/03/60/95/1067036095.db2.gz GARNZOHZNGOBKU-UHFFFAOYSA-N 0 0 450.322 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCOc2ccccc2F)C1 ZINC001449904051 1067036096 /nfs/dbraw/zinc/03/60/96/1067036096.db2.gz RVAIOTMUEIEXCF-TZIWHRDSSA-N 0 0 474.548 4.891 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)C1CCC(CO)CC1 ZINC001545757706 1067036320 /nfs/dbraw/zinc/03/63/20/1067036320.db2.gz INPDSFYFKMAKQA-UHFFFAOYSA-N 0 0 457.562 4.957 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2ccnc(SC(C)(C)C)c2)c1 ZINC001449908380 1067036630 /nfs/dbraw/zinc/03/66/30/1067036630.db2.gz BVBOMWAUWLKGLJ-KRWDZBQOSA-N 0 0 453.402 4.549 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCc1ccsc1)c1ccccc1 ZINC001545758167 1067036849 /nfs/dbraw/zinc/03/68/49/1067036849.db2.gz AWGKAUSNRJSWQO-REWPJTCUSA-N 0 0 465.667 4.817 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458346029 1067037602 /nfs/dbraw/zinc/03/76/02/1067037602.db2.gz DIUAKSMPRANHDP-ROUUACIJSA-N 0 0 456.917 4.535 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCCCOc2cccc(C)c2)c1 ZINC001449918151 1067037857 /nfs/dbraw/zinc/03/78/57/1067037857.db2.gz QHNBXEGVYQYLQF-NRFANRHFSA-N 0 0 450.373 4.507 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458347268 1067037837 /nfs/dbraw/zinc/03/78/37/1067037837.db2.gz OOSMOFUCBLTEGZ-LAUBAEHRSA-N 0 0 459.608 4.637 20 0 JJADRN O=C1[C@H](Nc2nc3cccc(OC(F)F)c3s2)CCN1c1cccc(Br)c1 ZINC001458348331 1067038279 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/nfs/dbraw/zinc/05/79/86/1067057986.db2.gz CTTJBBRNOSTYQG-HDICACEKSA-N 0 0 453.583 4.555 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545771308 1067057899 /nfs/dbraw/zinc/05/78/99/1067057899.db2.gz LNNIDAZDMPPJLN-FQEVSTJZSA-N 0 0 479.572 4.526 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)C3(Cc4ccccc4Br)CC3)CC2)cc1 ZINC001450192107 1067058319 /nfs/dbraw/zinc/05/83/19/1067058319.db2.gz GLAIEIOSROHZDM-QFIPXVFZSA-N 0 0 458.396 4.753 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)COc3ccccc3OCc3ccccc3)c2=O)cc1 ZINC001458428640 1067058308 /nfs/dbraw/zinc/05/83/08/1067058308.db2.gz CMTUVZUCCLCSIV-UHFFFAOYSA-N 0 0 454.526 4.802 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1)OC ZINC001545771362 1067058412 /nfs/dbraw/zinc/05/84/12/1067058412.db2.gz MZUCFIMKZCSXIF-QGZVFWFLSA-N 0 0 453.450 4.855 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@H](OC)C(C)(C)C1)OC ZINC001545771365 1067058525 /nfs/dbraw/zinc/05/85/25/1067058525.db2.gz NBPQPLYAUMYQRL-QFIPXVFZSA-N 0 0 451.615 4.868 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1C(F)F ZINC001458428198 1067058564 /nfs/dbraw/zinc/05/85/64/1067058564.db2.gz IGUJXWFLTQIVRB-VIFPVBQESA-N 0 0 454.802 4.661 20 0 JJADRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC001450196028 1067058642 /nfs/dbraw/zinc/05/86/42/1067058642.db2.gz JDUBHVBOFCJRCX-MRXNPFEDSA-N 0 0 454.658 4.744 20 0 JJADRN CCC(O)(CC)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001546020384 1067059152 /nfs/dbraw/zinc/05/91/52/1067059152.db2.gz COOLAQHERLMSTH-RUZDIDTESA-N 0 0 486.060 4.739 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(SC(C)(C)C)c(F)c2)c(C)c1 ZINC001450198131 1067059250 /nfs/dbraw/zinc/05/92/50/1067059250.db2.gz NAGVWPHNJUAPHG-UHFFFAOYSA-N 0 0 452.617 4.949 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(OC)c1)OC ZINC001545771598 1067059173 /nfs/dbraw/zinc/05/91/73/1067059173.db2.gz UNZXUVGOHZJBPN-UHFFFAOYSA-N 0 0 490.446 4.896 20 0 JJADRN CSc1nc(C(F)F)cc(N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001458435279 1067059469 /nfs/dbraw/zinc/05/94/69/1067059469.db2.gz OGNCVLCMLJCLOR-GOEBONIOSA-N 0 0 454.518 4.772 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1)OC ZINC001545771594 1067059344 /nfs/dbraw/zinc/05/93/44/1067059344.db2.gz UJYAJHQHXJGKHM-MRXNPFEDSA-N 0 0 459.978 4.827 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1)OC ZINC001545771707 1067059831 /nfs/dbraw/zinc/05/98/31/1067059831.db2.gz XOKCVVSQHXSANQ-UGKGYDQZSA-N 0 0 498.628 4.509 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C ZINC001546100654 1067059836 /nfs/dbraw/zinc/05/98/36/1067059836.db2.gz GBHMBOXVYSRIOM-MRXNPFEDSA-N 0 0 453.568 4.927 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001458436241 1067059899 /nfs/dbraw/zinc/05/98/99/1067059899.db2.gz BLLFKZVBXIJPEZ-QWOYXCTCSA-N 0 0 454.998 4.738 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc2c(cccc2N(C)C)s1 ZINC001545772070 1067060117 /nfs/dbraw/zinc/06/01/17/1067060117.db2.gz MBYLWTHETKRQIF-UHFFFAOYSA-N 0 0 453.536 4.648 20 0 JJADRN CC[C@H](OC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001458437849 1067060266 /nfs/dbraw/zinc/06/02/66/1067060266.db2.gz SPLXGEKSKBOVAF-IBGZPJMESA-N 0 0 455.370 4.706 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc(Br)c1OCc1ccccc1 ZINC001458438287 1067060296 /nfs/dbraw/zinc/06/02/96/1067060296.db2.gz KTZMWTXFYKYMDU-HUUCEWRRSA-N 0 0 458.274 4.851 20 0 JJADRN COc1cc(F)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1F ZINC001545771955 1067060194 /nfs/dbraw/zinc/06/01/94/1067060194.db2.gz GTKQDYSUAKTULR-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN CCC(CC)(Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC(N)=O)OC ZINC001545771772 1067060387 /nfs/dbraw/zinc/06/03/87/1067060387.db2.gz ZGVFIOXVYTZISE-AWEZNQCLSA-N 0 0 464.035 4.719 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)SC ZINC001545772484 1067060544 /nfs/dbraw/zinc/06/05/44/1067060544.db2.gz BQAZOGCZGORQFY-CEYNDMKZSA-N 0 0 474.671 4.648 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C)SC ZINC001545772448 1067060584 /nfs/dbraw/zinc/06/05/84/1067060584.db2.gz AWXBCFFFBHPKMQ-INIZCTEOSA-N 0 0 494.503 4.686 20 0 JJADRN CC[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)cc1 ZINC001458439871 1067060640 /nfs/dbraw/zinc/06/06/40/1067060640.db2.gz XRBGIJRPOMHUIO-FQEVSTJZSA-N 0 0 451.972 4.831 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)[C@H](C)Cc2cccc(Cl)c2)c1 ZINC001458438877 1067060740 /nfs/dbraw/zinc/06/07/40/1067060740.db2.gz CHPMLISGRAQZBL-LLVKDONJSA-N 0 0 457.695 4.549 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)SC ZINC001545772575 1067060964 /nfs/dbraw/zinc/06/09/64/1067060964.db2.gz DPAJGEYLXQUMHD-IBGZPJMESA-N 0 0 473.687 4.569 20 0 JJADRN CCN(CCOc1ccccc1C)c1nc(C(F)(F)F)ccc1I ZINC001458442735 1067061319 /nfs/dbraw/zinc/06/13/19/1067061319.db2.gz FXOCORXECFXGBM-UHFFFAOYSA-N 0 0 450.242 4.919 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)ccc1C ZINC001458442804 1067061397 /nfs/dbraw/zinc/06/13/97/1067061397.db2.gz QLEUIEXADFNDDV-KRWDZBQOSA-N 0 0 451.658 4.747 20 0 JJADRN CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2c(Br)cccc12 ZINC001450226865 1067061553 /nfs/dbraw/zinc/06/15/53/1067061553.db2.gz ROGJOXJTKABSOR-NRFANRHFSA-N 0 0 456.336 4.601 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1)SC ZINC001545772779 1067061811 /nfs/dbraw/zinc/06/18/11/1067061811.db2.gz LWKWOSJMMILGFQ-DYESRHJHSA-N 0 0 462.660 4.745 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C)SC ZINC001545772753 1067061985 /nfs/dbraw/zinc/06/19/85/1067061985.db2.gz LDWFTCZESPPMLF-HNNXBMFYSA-N 0 0 453.450 4.855 20 0 JJADRN Cc1ccc(-c2csc3ncnc(N4CCC(O)(CNC(=O)OC(C)(C)C)CC4)c23)cc1 ZINC001458443244 1067062098 /nfs/dbraw/zinc/06/20/98/1067062098.db2.gz BVXZLLSQMGZWHX-UHFFFAOYSA-N 0 0 454.596 4.523 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)c2ccccc2CC(C)(C)C)c1 ZINC001458445191 1067062231 /nfs/dbraw/zinc/06/22/31/1067062231.db2.gz ZJGXWZGZAASMAH-UHFFFAOYSA-N 0 0 451.304 4.919 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)OC ZINC001545772823 1067062265 /nfs/dbraw/zinc/06/22/65/1067062265.db2.gz NJAYONKJKMXHSC-DLBZAZTESA-N 0 0 495.437 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC12CCC2 ZINC001450239158 1067062845 /nfs/dbraw/zinc/06/28/45/1067062845.db2.gz NEBXOUWOJWCSDZ-INIZCTEOSA-N 0 0 450.963 4.553 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001546021079 1067063194 /nfs/dbraw/zinc/06/31/94/1067063194.db2.gz YBLLYOYKWJHACX-XBJMDHIQSA-N 0 0 474.621 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCC2(c3ccccc3Cl)CCCCC2)C1 ZINC001458446210 1067063418 /nfs/dbraw/zinc/06/34/18/1067063418.db2.gz PMRZRRJRVZLNGR-HSZRJFAPSA-N 0 0 451.007 4.684 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC(=O)NC)CC1)OC ZINC001545773071 1067063295 /nfs/dbraw/zinc/06/32/95/1067063295.db2.gz VSEBIPWTYJTXDX-SFHVURJKSA-N 0 0 487.714 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)CCC[C@H]12 ZINC001450244318 1067063314 /nfs/dbraw/zinc/06/33/14/1067063314.db2.gz ZOKYWOYAPNPBIN-LZJCXSABSA-N 0 0 477.646 4.605 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545773128 1067063366 /nfs/dbraw/zinc/06/33/66/1067063366.db2.gz XSHTVTISMQRPLU-PBHICJAKSA-N 0 0 460.928 4.960 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001450243740 1067063569 /nfs/dbraw/zinc/06/35/69/1067063569.db2.gz XSHWTQDFXYJHMN-KRWDZBQOSA-N 0 0 458.990 4.886 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C)OC ZINC001545773143 1067063760 /nfs/dbraw/zinc/06/37/60/1067063760.db2.gz YAVOOXKGSNWBIW-INIZCTEOSA-N 0 0 495.462 4.925 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545773170 1067063794 /nfs/dbraw/zinc/06/37/94/1067063794.db2.gz ZLQMGILDYNVSQX-IBGZPJMESA-N 0 0 487.645 4.510 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC(C)(C)[C@H]1C)OC ZINC001545773144 1067063812 /nfs/dbraw/zinc/06/38/12/1067063812.db2.gz YAVOOXKGSNWBIW-MRXNPFEDSA-N 0 0 495.462 4.925 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(OC)C1)SC ZINC001545773155 1067063969 /nfs/dbraw/zinc/06/39/69/1067063969.db2.gz YWTSVMUKVJBQIE-UHFFFAOYSA-N 0 0 483.476 4.863 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450247504 1067063987 /nfs/dbraw/zinc/06/39/87/1067063987.db2.gz DEOXWMNKDJMUIU-BJIACPIKSA-N 0 0 450.664 4.840 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450247520 1067064006 /nfs/dbraw/zinc/06/40/06/1067064006.db2.gz DEOXWMNKDJMUIU-SKIZBSMESA-N 0 0 450.664 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc(-c4cccc(F)c4)no3)C2)C1 ZINC001450252696 1067064300 /nfs/dbraw/zinc/06/43/00/1067064300.db2.gz IPEPBPBDZCTCCK-RBUKOAKNSA-N 0 0 457.546 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc(-c4cccc(F)c4)no3)C2)C1 ZINC001450252697 1067064388 /nfs/dbraw/zinc/06/43/88/1067064388.db2.gz IPEPBPBDZCTCCK-RTBURBONSA-N 0 0 457.546 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)C2)C1 ZINC001450252791 1067064532 /nfs/dbraw/zinc/06/45/32/1067064532.db2.gz JAZNYZPOFWPCRB-MOPGFXCFSA-N 0 0 452.542 4.716 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)c1 ZINC001450256200 1067064824 /nfs/dbraw/zinc/06/48/24/1067064824.db2.gz LWGYIHRLPHCIAC-KRWDZBQOSA-N 0 0 458.514 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cccnc3SC(F)F)C2)C1 ZINC001450254404 1067064956 /nfs/dbraw/zinc/06/49/56/1067064956.db2.gz KMQIYYSYUWEGGR-HZPDHXFCSA-N 0 0 455.571 4.896 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1)SC ZINC001545774151 1067065122 /nfs/dbraw/zinc/06/51/22/1067065122.db2.gz FSXYWYYCHOSXOC-UHFFFAOYSA-N 0 0 451.036 4.910 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001450261173 1067065853 /nfs/dbraw/zinc/06/58/53/1067065853.db2.gz BAPPBWIFOGBFJW-ZIAGYGMSSA-N 0 0 455.755 4.746 20 0 JJADRN CN1CCO[C@@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451552 1067065878 /nfs/dbraw/zinc/06/58/78/1067065878.db2.gz HOOAKNDMGGOFIZ-NHCUHLMSSA-N 0 0 450.957 4.917 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451557 1067066003 /nfs/dbraw/zinc/06/60/03/1067066003.db2.gz HOOAKNDMGGOFIZ-RTWAWAEBSA-N 0 0 450.957 4.917 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@H](C)C1)OC ZINC001545774284 1067065969 /nfs/dbraw/zinc/06/59/69/1067065969.db2.gz KBEJZEAALRMGON-OAHLLOKOSA-N 0 0 469.399 4.667 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1)OC ZINC001545774286 1067066193 /nfs/dbraw/zinc/06/61/93/1067066193.db2.gz KCDIWGTWAKJHKI-LJQANCHMSA-N 0 0 457.022 4.921 20 0 JJADRN CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c(Cl)c1 ZINC001458452945 1067066368 /nfs/dbraw/zinc/06/63/68/1067066368.db2.gz KMWAQDOILDFIIZ-FGZHOGPDSA-N 0 0 451.394 4.974 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1)OC ZINC001545774369 1067066429 /nfs/dbraw/zinc/06/64/29/1067066429.db2.gz MYOBRNWAJQSBOX-IRXDYDNUSA-N 0 0 465.436 4.835 20 0 JJADRN C[C@H](NC(=O)c1nn(C(C)(C)C)cc1Br)c1ccc(C(F)(F)F)nc1Cl ZINC001450269709 1067066954 /nfs/dbraw/zinc/06/69/54/1067066954.db2.gz IEJNHYXFFGSHSI-QMMMGPOBSA-N 0 0 453.690 4.959 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001450269660 1067067188 /nfs/dbraw/zinc/06/71/88/1067067188.db2.gz DUPZOXGJZORDFO-XLIONFOSSA-N 0 0 457.596 4.680 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545774539 1067067239 /nfs/dbraw/zinc/06/72/39/1067067239.db2.gz SCUATJALAYEEFC-WOJBJXKFSA-N 0 0 487.645 4.793 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1)OC ZINC001545774477 1067067489 /nfs/dbraw/zinc/06/74/89/1067067489.db2.gz QNDZYMCVYRHJNV-UHFFFAOYSA-N 0 0 451.011 4.639 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457563 1067068029 /nfs/dbraw/zinc/06/80/29/1067068029.db2.gz WLWOTACSMLGOEF-ROUUACIJSA-N 0 0 458.183 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(N)=O)CC1)SC ZINC001545774726 1067068242 /nfs/dbraw/zinc/06/82/42/1067068242.db2.gz ZDHRBXVOOAAVLF-UHFFFAOYSA-N 0 0 480.078 4.621 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)c1ccccc1F ZINC001545775097 1067068253 /nfs/dbraw/zinc/06/82/53/1067068253.db2.gz LWANKENJOFEHCQ-QFIPXVFZSA-N 0 0 457.885 4.711 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001458457753 1067068438 /nfs/dbraw/zinc/06/84/38/1067068438.db2.gz QEGVMHUYTIJSBP-WZONZLPQSA-N 0 0 459.428 4.932 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCSC1 ZINC001450276208 1067068390 /nfs/dbraw/zinc/06/83/90/1067068390.db2.gz LOWGAUGHOPRUFU-MHECFPHRSA-N 0 0 452.620 4.952 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001450277867 1067068500 /nfs/dbraw/zinc/06/85/00/1067068500.db2.gz NEIZCOKRSXGADW-IRLDBZIGSA-N 0 0 458.599 4.686 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CC=C(COC)CC1)OC ZINC001545775601 1067068749 /nfs/dbraw/zinc/06/87/49/1067068749.db2.gz DUXGEFGCSYVHEW-UHFFFAOYSA-N 0 0 463.420 4.696 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC001458464159 1067068886 /nfs/dbraw/zinc/06/88/86/1067068886.db2.gz QUTWODVNMCWZBG-INIZCTEOSA-N 0 0 459.775 4.605 20 0 JJADRN Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001458463415 1067068925 /nfs/dbraw/zinc/06/89/25/1067068925.db2.gz PBFVCBCJNJWYOB-CQSZACIVSA-N 0 0 450.757 4.545 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCOC2(CCCC2)C1 ZINC001458464531 1067068931 /nfs/dbraw/zinc/06/89/31/1067068931.db2.gz UIDKZLPKPVPUPC-GFCCVEGCSA-N 0 0 451.188 4.990 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001458465830 1067069270 /nfs/dbraw/zinc/06/92/70/1067069270.db2.gz ZVKRVPZCHIBPKF-JOCHJYFZSA-N 0 0 450.966 4.735 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545775635 1067069207 /nfs/dbraw/zinc/06/92/07/1067069207.db2.gz FPXFKVCJFBYELH-UHFFFAOYSA-N 0 0 493.555 4.603 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC001450292990 1067069424 /nfs/dbraw/zinc/06/94/24/1067069424.db2.gz RDBNAFNYAHRHMM-AMJIMMIESA-N 0 0 455.570 4.660 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC(F)(F)F)CC1)SC ZINC001545775970 1067069808 /nfs/dbraw/zinc/06/98/08/1067069808.db2.gz QTDLOWNLERCVGF-UHFFFAOYSA-N 0 0 499.603 4.670 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)c1nc(Cl)ccc1Cl ZINC001458468613 1067070213 /nfs/dbraw/zinc/07/02/13/1067070213.db2.gz CQDUXCBEIKZAES-UHFFFAOYSA-N 0 0 458.061 4.979 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@@H]4CCCN(CC(F)(F)F)C4)cc3)o2)c1 ZINC001450306538 1067070419 /nfs/dbraw/zinc/07/04/19/1067070419.db2.gz MVXKCTZZPSPNEB-KRWDZBQOSA-N 0 0 458.484 4.716 20 0 JJADRN Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)Nc2cccc(OCC(F)F)n2)n1 ZINC001450301464 1067070486 /nfs/dbraw/zinc/07/04/86/1067070486.db2.gz VHKUDTZLBVBOJV-UHFFFAOYSA-N 0 0 455.490 4.756 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001450337798 1067071323 /nfs/dbraw/zinc/07/13/23/1067071323.db2.gz RCJQLNIAMLWVSY-AREMUKBSSA-N 0 0 456.631 4.807 20 0 JJADRN Cc1cc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c(C)cc1Br ZINC001458476044 1067071367 /nfs/dbraw/zinc/07/13/67/1067071367.db2.gz KLPYAXLXPYXCBK-UHFFFAOYSA-N 0 0 450.340 4.749 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001458474346 1067071434 /nfs/dbraw/zinc/07/14/34/1067071434.db2.gz DDGSBRRPJDTHFJ-UHFFFAOYSA-N 0 0 458.986 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC001546101206 1067071878 /nfs/dbraw/zinc/07/18/78/1067071878.db2.gz XMPVSQBZOOHUIK-DEOSSOPVSA-N 0 0 457.596 4.767 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCSCC1)NC(=O)OC(C)(C)C ZINC001545777654 1067072082 /nfs/dbraw/zinc/07/20/82/1067072082.db2.gz JDMFBJFLTBJJCP-UHFFFAOYSA-N 0 0 463.623 4.721 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC001450346250 1067072292 /nfs/dbraw/zinc/07/22/92/1067072292.db2.gz HDEDXIVNRVKZST-INIZCTEOSA-N 0 0 453.308 4.623 20 0 JJADRN CN(Cc1ccccc1CNc1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C ZINC001458478668 1067072340 /nfs/dbraw/zinc/07/23/40/1067072340.db2.gz BQXNUOIPAGHZHO-UHFFFAOYSA-N 0 0 458.502 4.959 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC001458479774 1067072440 /nfs/dbraw/zinc/07/24/40/1067072440.db2.gz YFMFZUWOQPATAW-UHFFFAOYSA-N 0 0 451.405 4.803 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)SC ZINC001545777987 1067072911 /nfs/dbraw/zinc/07/29/11/1067072911.db2.gz SSKNQLKGERBAPW-NQIIRXRSSA-N 0 0 478.106 4.677 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cncn2)C1)SC ZINC001545777975 1067073013 /nfs/dbraw/zinc/07/30/13/1067073013.db2.gz SIXSLFYRQQSGHM-KRWDZBQOSA-N 0 0 460.051 4.953 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001450359238 1067073252 /nfs/dbraw/zinc/07/32/52/1067073252.db2.gz ZJWSAKJXPYXNAL-QZTJIDSGSA-N 0 0 450.023 4.803 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1(C)C ZINC001450356641 1067073266 /nfs/dbraw/zinc/07/32/66/1067073266.db2.gz AOXSQLLBHCGXNW-XLNZFTOWSA-N 0 0 452.542 4.557 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)Cc2ccccc21 ZINC001458481681 1067073306 /nfs/dbraw/zinc/07/33/06/1067073306.db2.gz NXFIEHUCGCDPRL-INIZCTEOSA-N 0 0 459.461 4.565 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ncc(Br)cc2F)CC[C@@H]1C(F)(F)F ZINC001458488463 1067073604 /nfs/dbraw/zinc/07/36/04/1067073604.db2.gz ACYAECBZGQIXHV-JQWIXIFHSA-N 0 0 456.278 4.513 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](Cn2cccn2)C1)SC ZINC001545778139 1067073463 /nfs/dbraw/zinc/07/34/63/1067073463.db2.gz YKRBMIXJSJIXDR-GOSISDBHSA-N 0 0 475.062 4.622 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N1CC[C@@H](SC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001450365419 1067073746 /nfs/dbraw/zinc/07/37/46/1067073746.db2.gz JCIVDJFKXLGBSJ-LJQANCHMSA-N 0 0 456.995 4.807 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1csc(-c2ccc(O)cc2)n1 ZINC001450376700 1067074031 /nfs/dbraw/zinc/07/40/31/1067074031.db2.gz CCCLCJDCXZTUKD-UHFFFAOYSA-N 0 0 455.337 4.931 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1)OC ZINC001545779313 1067074022 /nfs/dbraw/zinc/07/40/22/1067074022.db2.gz KMYYFUUSQMTLOC-UHFFFAOYSA-N 0 0 480.657 4.526 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545779380 1067074037 /nfs/dbraw/zinc/07/40/37/1067074037.db2.gz MRHZFYTUGSLYHX-IBGZPJMESA-N 0 0 496.656 4.745 20 0 JJADRN Cc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)c(C)n1[C@H]1CCCOC1 ZINC001450376799 1067074193 /nfs/dbraw/zinc/07/41/93/1067074193.db2.gz CKJUJTIKCSJKBZ-SFHVURJKSA-N 0 0 457.372 4.872 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001546022285 1067074204 /nfs/dbraw/zinc/07/42/04/1067074204.db2.gz AZHGKTNRUUSSQW-RUZDIDTESA-N 0 0 451.615 4.748 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1)SC ZINC001545779438 1067074530 /nfs/dbraw/zinc/07/45/30/1067074530.db2.gz OCPDEMNUARIXPT-QFBILLFUSA-N 0 0 460.673 4.628 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1)SC ZINC001545779433 1067074546 /nfs/dbraw/zinc/07/45/46/1067074546.db2.gz OABURBVIDRURLD-GOSISDBHSA-N 0 0 471.700 4.602 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001546022419 1067074528 /nfs/dbraw/zinc/07/45/28/1067074528.db2.gz FEBHCWHOBIVLCR-OAHLLOKOSA-N 0 0 478.460 4.955 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(Cl)cccc2C1 ZINC001546022444 1067074920 /nfs/dbraw/zinc/07/49/20/1067074920.db2.gz FMWAHJMHNUQFDI-UHFFFAOYSA-N 0 0 492.849 4.813 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(COc2ccccc2)CC1)SC ZINC001545779607 1067074999 /nfs/dbraw/zinc/07/49/99/1067074999.db2.gz UBPXWRURBWKNFA-UHFFFAOYSA-N 0 0 468.671 4.896 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)cc1C ZINC001545780104 1067075548 /nfs/dbraw/zinc/07/55/48/1067075548.db2.gz LWOMLCHQLBAMFH-JOCHJYFZSA-N 0 0 456.608 4.716 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H](C)c3ccc4c(c3)CCCO4)c2c1C ZINC001458498738 1067075479 /nfs/dbraw/zinc/07/54/79/1067075479.db2.gz GQJPAZLNEFHUMF-OAHLLOKOSA-N 0 0 454.596 4.736 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@@H](C)c3ccc4c(c3)CCCO4)c2c1C ZINC001458498734 1067075561 /nfs/dbraw/zinc/07/55/61/1067075561.db2.gz GQJPAZLNEFHUMF-HNNXBMFYSA-N 0 0 454.596 4.736 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1 ZINC001458499913 1067075833 /nfs/dbraw/zinc/07/58/33/1067075833.db2.gz HVDGWWXWNUGGPF-QGZVFWFLSA-N 0 0 458.555 4.875 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)c1 ZINC001458499983 1067075847 /nfs/dbraw/zinc/07/58/47/1067075847.db2.gz IFDZYDRDQFQWEQ-NTKDMRAZSA-N 0 0 452.576 4.663 20 0 JJADRN CCCc1csc(NC(=O)c2cc(Br)cc(I)c2)n1 ZINC001458501356 1067076190 /nfs/dbraw/zinc/07/61/90/1067076190.db2.gz RXKFUHSQLSLQEE-UHFFFAOYSA-N 0 0 451.127 4.715 20 0 JJADRN CCC(CC)(Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(CC(F)F)CC1)SC ZINC001545780732 1067076458 /nfs/dbraw/zinc/07/64/58/1067076458.db2.gz FYXDRRMMJKTFMA-UHFFFAOYSA-N 0 0 462.614 4.735 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1 ZINC001458502786 1067076551 /nfs/dbraw/zinc/07/65/51/1067076551.db2.gz WAKFVCAMNCPMHJ-QFIPXVFZSA-N 0 0 452.436 4.814 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001450404747 1067076830 /nfs/dbraw/zinc/07/68/30/1067076830.db2.gz QRMQKXSXFXJNMC-HXUWFJFHSA-N 0 0 458.883 4.580 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC001458503401 1067076749 /nfs/dbraw/zinc/07/67/49/1067076749.db2.gz QWEDFRJOLMKCKW-GFCCVEGCSA-N 0 0 459.793 4.573 20 0 JJADRN C[C@]1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCc2ccccc21 ZINC001458505272 1067076991 /nfs/dbraw/zinc/07/69/91/1067076991.db2.gz WCICLJOJIWQHNZ-OAQYLSRUSA-N 0 0 459.775 4.707 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545781002 1067077127 /nfs/dbraw/zinc/07/71/27/1067077127.db2.gz PXTHTYXGEDPNCH-SFHVURJKSA-N 0 0 477.613 4.900 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)OC ZINC001545781085 1067077228 /nfs/dbraw/zinc/07/72/28/1067077228.db2.gz SDRNKYSHLZQMAS-UHFFFAOYSA-N 0 0 468.646 4.923 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001450405914 1067077272 /nfs/dbraw/zinc/07/72/72/1067077272.db2.gz DPFITLXXIOIATM-DLBZAZTESA-N 0 0 454.514 4.548 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)SC ZINC001545781290 1067077469 /nfs/dbraw/zinc/07/74/69/1067077469.db2.gz ZOVXAFVWQOQLTQ-UHFFFAOYSA-N 0 0 487.695 4.610 20 0 JJADRN Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)nn1CCCOc1ccc(F)cc1 ZINC001458505478 1067077545 /nfs/dbraw/zinc/07/75/45/1067077545.db2.gz JYOPVPLTRZSVST-KSFYIVLOSA-N 0 0 450.514 4.647 20 0 JJADRN C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001450406050 1067077655 /nfs/dbraw/zinc/07/76/55/1067077655.db2.gz UPJLQXORRJQABU-LBPRGKRZSA-N 0 0 454.379 4.815 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001545782196 1067077812 /nfs/dbraw/zinc/07/78/12/1067077812.db2.gz HBXFRXNMRVBLRF-TZIWHRDSSA-N 0 0 498.672 4.819 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2=O)ccc1Br ZINC001458506472 1067077779 /nfs/dbraw/zinc/07/77/79/1067077779.db2.gz MCKQVOLPXCDVLP-HOYKHHGWSA-N 0 0 455.396 4.521 20 0 JJADRN O=C(c1cc(Cl)c2cc(Cl)ccc2n1)N1CC(=O)Nc2cc(Br)ccc21 ZINC001458506025 1067077849 /nfs/dbraw/zinc/07/78/49/1067077849.db2.gz OCNMEXJPVNRALQ-UHFFFAOYSA-N 0 0 451.107 4.903 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1(OC)CCC1 ZINC001450407129 1067077848 /nfs/dbraw/zinc/07/78/48/1067077848.db2.gz JAYZDORVCZFFHG-LJQANCHMSA-N 0 0 450.579 4.627 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(Nc2cnccn2)c1)C1CCCCCC1 ZINC001545783049 1067078409 /nfs/dbraw/zinc/07/84/09/1067078409.db2.gz DRTQNJJGLYCXAZ-UHFFFAOYSA-N 0 0 453.587 4.910 20 0 JJADRN Fc1ccc([C@H]2CCCN(c3ncnc4cc(I)sc43)C2)cc1F ZINC001458507477 1067078308 /nfs/dbraw/zinc/07/83/08/1067078308.db2.gz TZCXNGKYANPSND-NSHDSACASA-N 0 0 457.287 4.958 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1OCc1ccccc1 ZINC001458508230 1067078325 /nfs/dbraw/zinc/07/83/25/1067078325.db2.gz RWXCIVGQSOJJRS-OALUTQOASA-N 0 0 455.551 4.692 20 0 JJADRN COC(=O)c1cnc(N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1C(F)(F)F ZINC001458507989 1067078373 /nfs/dbraw/zinc/07/83/73/1067078373.db2.gz ZMYMZVFPPJQNQV-UHFFFAOYSA-N 0 0 452.477 4.777 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccccc1OCc1ccccc1 ZINC001458508261 1067078449 /nfs/dbraw/zinc/07/84/49/1067078449.db2.gz STTNHEIEALAXJB-BVSLBCMMSA-N 0 0 453.579 4.970 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(F)cc1 ZINC001450415086 1067078339 /nfs/dbraw/zinc/07/83/39/1067078339.db2.gz QYPZFBGHEBCZTJ-AVRDEDQJSA-N 0 0 456.562 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001450415028 1067078603 /nfs/dbraw/zinc/07/86/03/1067078603.db2.gz QYIUQHPPIXVKDJ-FDFHNCONSA-N 0 0 452.599 4.570 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545783751 1067078625 /nfs/dbraw/zinc/07/86/25/1067078625.db2.gz BITAINYUNGPDKI-LJQANCHMSA-N 0 0 489.686 4.880 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)OC ZINC001545783701 1067078850 /nfs/dbraw/zinc/07/88/50/1067078850.db2.gz AJKVFUIFKKOZAY-XZOQPEGZSA-N 0 0 456.631 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450416305 1067079114 /nfs/dbraw/zinc/07/91/14/1067079114.db2.gz TXUIEMCHZMUIHM-GDAAHCPNSA-N 0 0 468.516 4.639 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CCCS2)CCO1 ZINC001546101586 1067079122 /nfs/dbraw/zinc/07/91/22/1067079122.db2.gz GNTYTTAEFFURLK-NWVWQQAFSA-N 0 0 479.691 4.641 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3c(C)ccc(F)c3Br)CC2)cc1 ZINC001450420204 1067079420 /nfs/dbraw/zinc/07/94/20/1067079420.db2.gz WQAOKLQJEQRABS-NRFANRHFSA-N 0 0 450.348 4.881 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1F ZINC001458516050 1067079555 /nfs/dbraw/zinc/07/95/55/1067079555.db2.gz AWVBINZRKJBHLZ-ZFWWWQNUSA-N 0 0 452.295 4.884 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)C(=O)OC(C)(C)C ZINC001458517961 1067079569 /nfs/dbraw/zinc/07/95/69/1067079569.db2.gz NOSAGCHALGAVKG-KSSFIOAISA-N 0 0 458.559 4.621 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784109 1067079474 /nfs/dbraw/zinc/07/94/74/1067079474.db2.gz KWLXRMPXDAIRTL-UXHICEINSA-N 0 0 463.667 4.882 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)SC ZINC001545784073 1067079602 /nfs/dbraw/zinc/07/96/02/1067079602.db2.gz JWTAOZJTKYEIOI-UHFFFAOYSA-N 0 0 485.698 4.715 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(C)n(-c4ccccc4Cl)n3)CC2)cc1 ZINC001450420243 1067079659 /nfs/dbraw/zinc/07/96/59/1067079659.db2.gz WQPCNCWEHPHXSC-XMMPIXPASA-N 0 0 453.970 4.819 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1)OC ZINC001545784176 1067079902 /nfs/dbraw/zinc/07/99/02/1067079902.db2.gz MQPFRIQMKZBYIT-UHFFFAOYSA-N 0 0 473.637 4.611 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545784206 1067079947 /nfs/dbraw/zinc/07/99/47/1067079947.db2.gz NBSNLWGZAJPTDC-NHCUHLMSSA-N 0 0 493.693 4.855 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1)OC ZINC001545784183 1067080010 /nfs/dbraw/zinc/08/00/10/1067080010.db2.gz MSKLUGCCKCVELJ-IBGZPJMESA-N 0 0 475.634 4.827 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N(C)CC1CC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545784135 1067080166 /nfs/dbraw/zinc/08/01/66/1067080166.db2.gz LVOXMIHFLZUQBM-SFHVURJKSA-N 0 0 485.620 4.737 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)CCO1 ZINC001546101676 1067080142 /nfs/dbraw/zinc/08/01/42/1067080142.db2.gz ITMGMXAEOMMDTP-SUDJPPCISA-N 0 0 481.641 4.768 20 0 JJADRN Cc1ccc(Br)c(NC(=O)c2cc(I)c(F)cc2F)c1 ZINC001458523253 1067080160 /nfs/dbraw/zinc/08/01/60/1067080160.db2.gz QFKQTMGYEYSHHB-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC001450446840 1067080695 /nfs/dbraw/zinc/08/06/95/1067080695.db2.gz JQPABBQSMRRMTB-CQSZACIVSA-N 0 0 459.340 4.665 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC001450439566 1067080793 /nfs/dbraw/zinc/08/07/93/1067080793.db2.gz ALFRHOZFOPHVCT-RUZDIDTESA-N 0 0 457.530 4.737 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)CC2=O)c(C)c1 ZINC001458526839 1067080908 /nfs/dbraw/zinc/08/09/08/1067080908.db2.gz LAXKJNCKBHTAJV-QHCPKHFHSA-N 0 0 455.558 4.533 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)OC ZINC001545784492 1067081019 /nfs/dbraw/zinc/08/10/19/1067081019.db2.gz UNONVKJEJPWIDB-FYYLOGMGSA-N 0 0 491.076 4.981 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cn1 ZINC001458526900 1067081188 /nfs/dbraw/zinc/08/11/88/1067081188.db2.gz NDHWGFTZCJHIFM-HSZRJFAPSA-N 0 0 454.615 4.815 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)SC ZINC001545784645 1067081162 /nfs/dbraw/zinc/08/11/62/1067081162.db2.gz XPQXGHNRJMZBDX-AQNXPRMDSA-N 0 0 495.734 4.522 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)OC ZINC001545784529 1067081182 /nfs/dbraw/zinc/08/11/82/1067081182.db2.gz VHVMNCSHDFWWAZ-PMACEKPBSA-N 0 0 461.676 4.835 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784596 1067081203 /nfs/dbraw/zinc/08/12/03/1067081203.db2.gz WOFYZVJXZKSSJC-NBGIEHNGSA-N 0 0 491.677 4.610 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC001450450988 1067081148 /nfs/dbraw/zinc/08/11/48/1067081148.db2.gz QKFQVDXPEPCDKM-ZDUSSCGKSA-N 0 0 455.780 4.787 20 0 JJADRN CN1CCc2nc3ccccc3c(C(=O)NCCc3ccc(Br)cc3Cl)c2C1 ZINC001450450070 1067081235 /nfs/dbraw/zinc/08/12/35/1067081235.db2.gz PKFFNWLOWPGBGK-UHFFFAOYSA-N 0 0 458.787 4.611 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1)SC ZINC001545784615 1067081273 /nfs/dbraw/zinc/08/12/73/1067081273.db2.gz WVYWJOIEWDXWHD-WOJBJXKFSA-N 0 0 495.734 4.930 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2CCC2(COC)CCCC2)CCO1 ZINC001546101720 1067081411 /nfs/dbraw/zinc/08/14/11/1067081411.db2.gz JSEVVUDVEJZOBE-VWLOTQADSA-N 0 0 456.631 4.768 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1)SC ZINC001545784613 1067081379 /nfs/dbraw/zinc/08/13/79/1067081379.db2.gz WVYWJOIEWDXWHD-UXHICEINSA-N 0 0 495.734 4.930 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001545784812 1067081610 /nfs/dbraw/zinc/08/16/10/1067081610.db2.gz CGWBVGGJBZKWFT-UHFFFAOYSA-N 0 0 455.640 4.756 20 0 JJADRN CCc1c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)nnn1-c1cccc(Cl)c1 ZINC001458529151 1067081785 /nfs/dbraw/zinc/08/17/85/1067081785.db2.gz SWMDFLLGEFTNJN-UHFFFAOYSA-N 0 0 459.937 4.665 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545786156 1067081953 /nfs/dbraw/zinc/08/19/53/1067081953.db2.gz JSZKOORGZKDDAN-RBUKOAKNSA-N 0 0 473.618 4.800 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](OC)C1)SC ZINC001545786095 1067081994 /nfs/dbraw/zinc/08/19/94/1067081994.db2.gz ITHGVCCVQYYCTO-LJQANCHMSA-N 0 0 481.707 4.540 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 ZINC001450459472 1067082359 /nfs/dbraw/zinc/08/23/59/1067082359.db2.gz CQEWTQQZUJJBNY-UHFFFAOYSA-N 0 0 456.340 4.862 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001546023087 1067082406 /nfs/dbraw/zinc/08/24/06/1067082406.db2.gz VOCYFEMHLOSJPR-ZACQAIPSSA-N 0 0 453.052 4.953 20 0 JJADRN COc1cc(C(=O)NCc2ccccc2-c2cnn(C)c2)cc(OC)c1OCc1ccccc1 ZINC001458532104 1067082615 /nfs/dbraw/zinc/08/26/15/1067082615.db2.gz PCPKTTSCCLOFDU-UHFFFAOYSA-N 0 0 457.530 4.613 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(Br)cc1 ZINC001458531903 1067082812 /nfs/dbraw/zinc/08/28/12/1067082812.db2.gz GJMNNKFJZQFACA-SFHVURJKSA-N 0 0 454.748 4.600 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001546023150 1067082831 /nfs/dbraw/zinc/08/28/31/1067082831.db2.gz XNPZIGGIGWDHMG-GMAHTHKFSA-N 0 0 470.658 4.839 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1)OC ZINC001545786910 1067082963 /nfs/dbraw/zinc/08/29/63/1067082963.db2.gz ZSFWUXGKHCXXJP-OAQYLSRUSA-N 0 0 499.656 4.897 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1)OC ZINC001545786683 1067082994 /nfs/dbraw/zinc/08/29/94/1067082994.db2.gz UUWKTRHXZYHLMX-LEWJYISDSA-N 0 0 460.644 4.574 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCSC(F)(F)F)CCO1 ZINC001546101820 1067083017 /nfs/dbraw/zinc/08/30/17/1067083017.db2.gz MITFSJZBDZKKLW-SFHVURJKSA-N 0 0 464.941 4.769 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1)OC ZINC001545787866 1067083331 /nfs/dbraw/zinc/08/33/31/1067083331.db2.gz ABIAGNRGKQBEMP-IBGZPJMESA-N 0 0 462.585 4.605 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1)OC ZINC001545788163 1067083593 /nfs/dbraw/zinc/08/35/93/1067083593.db2.gz LGKXUENXMOUJDU-MUUNZHRXSA-N 0 0 483.701 4.553 20 0 JJADRN CC(C)(C)c1nc(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cs1 ZINC001450471694 1067083844 /nfs/dbraw/zinc/08/38/44/1067083844.db2.gz MCKBLKUJQFLSBS-LEWJYISDSA-N 0 0 455.624 4.537 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450479996 1067084189 /nfs/dbraw/zinc/08/41/89/1067084189.db2.gz XRGWBQMBHJUIJX-JWQCQUIFSA-N 0 0 450.579 4.571 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)OC ZINC001545788274 1067084281 /nfs/dbraw/zinc/08/42/81/1067084281.db2.gz ORXHAEQAEXKVOE-HXUWFJFHSA-N 0 0 473.618 4.556 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2cccs2)CC1)OC ZINC001545788293 1067084682 /nfs/dbraw/zinc/08/46/82/1067084682.db2.gz PAWYGJSOLVYUPF-UHFFFAOYSA-N 0 0 489.636 4.736 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC001458542260 1067084836 /nfs/dbraw/zinc/08/48/36/1067084836.db2.gz KMIHBXZAYABIEV-INIZCTEOSA-N 0 0 458.400 4.758 20 0 JJADRN COCc1cc(N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)nc(C(C)(C)C)n1 ZINC001458542301 1067084857 /nfs/dbraw/zinc/08/48/57/1067084857.db2.gz CHRBQWBDXQXATD-OAQYLSRUSA-N 0 0 458.647 4.927 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545788411 1067084905 /nfs/dbraw/zinc/08/49/05/1067084905.db2.gz TWPNFDRNSSKFPE-VWLOTQADSA-N 0 0 477.694 4.957 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnn(C)c1)NC(=O)OC(C)(C)C ZINC001545788453 1067084918 /nfs/dbraw/zinc/08/49/18/1067084918.db2.gz VSHPDUDGNVXPPM-UHFFFAOYSA-N 0 0 495.672 4.631 20 0 JJADRN COCCCS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)cc1 ZINC001458542484 1067084968 /nfs/dbraw/zinc/08/49/68/1067084968.db2.gz LHNFPZXCELCVOA-PGMHBOJBSA-N 0 0 459.564 4.877 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)OC ZINC001545788487 1067085101 /nfs/dbraw/zinc/08/51/01/1067085101.db2.gz WWOPJHXGQYUQLI-KRWDZBQOSA-N 0 0 487.998 4.800 20 0 JJADRN Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)n2)cc1NC(=O)Nc1ccccc1 ZINC001458546234 1067085361 /nfs/dbraw/zinc/08/53/61/1067085361.db2.gz LYXCISKOHZIMST-UHFFFAOYSA-N 0 0 458.440 4.862 20 0 JJADRN O=C(NCc1nc2ccccc2o1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001450507790 1067085493 /nfs/dbraw/zinc/08/54/93/1067085493.db2.gz CTZJNDGFPMHVSG-UHFFFAOYSA-N 0 0 454.330 4.981 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1 ZINC001458546785 1067085528 /nfs/dbraw/zinc/08/55/28/1067085528.db2.gz ZDTOCDCKGTYECR-LJQANCHMSA-N 0 0 456.587 4.715 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)ccc1F ZINC001450506467 1067085772 /nfs/dbraw/zinc/08/57/72/1067085772.db2.gz IOUZTKSCDCEFGH-CQSZACIVSA-N 0 0 451.498 4.752 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1)SC ZINC001545789301 1067085681 /nfs/dbraw/zinc/08/56/81/1067085681.db2.gz BTFSLHSGWFKORD-UHFFFAOYSA-N 0 0 497.684 4.899 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)c1cccs1 ZINC001458548208 1067086008 /nfs/dbraw/zinc/08/60/08/1067086008.db2.gz JOOGEYOYFPJKHT-UHFFFAOYSA-N 0 0 454.451 4.546 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001450524684 1067086299 /nfs/dbraw/zinc/08/62/99/1067086299.db2.gz QFLUSQQCBFJQFC-KRWDZBQOSA-N 0 0 450.549 4.634 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001450524510 1067086342 /nfs/dbraw/zinc/08/63/42/1067086342.db2.gz OUNOBKRVXZAEHN-UHFFFAOYSA-N 0 0 458.628 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC001458551042 1067086386 /nfs/dbraw/zinc/08/63/86/1067086386.db2.gz QYNGZYLTCZAWRF-AREMUKBSSA-N 0 0 451.615 4.795 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)cc(OC)c2)CCO1 ZINC001546101993 1067086402 /nfs/dbraw/zinc/08/64/02/1067086402.db2.gz PDNKOIVTEXMWIH-CUNXSJBXSA-N 0 0 499.656 4.721 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)CC1)SC ZINC001545789747 1067086499 /nfs/dbraw/zinc/08/64/99/1067086499.db2.gz ROJIXEZXEKYVBQ-UHFFFAOYSA-N 0 0 468.646 4.651 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC001450531289 1067086720 /nfs/dbraw/zinc/08/67/20/1067086720.db2.gz BRJJTHGRRMUVCW-NDEPHWFRSA-N 0 0 459.409 4.724 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)ccc1O ZINC001450534621 1067087250 /nfs/dbraw/zinc/08/72/50/1067087250.db2.gz MSKJITWNICCCCT-UHFFFAOYSA-N 0 0 457.280 4.771 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545790932 1067087453 /nfs/dbraw/zinc/08/74/53/1067087453.db2.gz BNIGHVPZZCYKFT-QAPCUYQASA-N 0 0 480.654 4.512 20 0 JJADRN COc1ccccc1[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC001458556464 1067087411 /nfs/dbraw/zinc/08/74/11/1067087411.db2.gz GVDNNRAQYOAJNG-HOTGVXAUSA-N 0 0 451.972 4.687 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)O[C@@H](C)c3ccc(OC(F)(F)F)cc3)CCC(=O)N2C)cc1 ZINC001458558534 1067087531 /nfs/dbraw/zinc/08/75/31/1067087531.db2.gz BFBRTFLKGVSASA-JBYOLUDKSA-N 0 0 451.441 4.808 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(N4CCCCC4=O)cc3)n2)n1 ZINC001450536049 1067087583 /nfs/dbraw/zinc/08/75/83/1067087583.db2.gz COBQGBZOZLEEGJ-QGZVFWFLSA-N 0 0 451.958 4.545 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)[C@@H](C)CO ZINC001450536005 1067087622 /nfs/dbraw/zinc/08/76/22/1067087622.db2.gz TUHOSMPBVVXPPL-SFHVURJKSA-N 0 0 452.624 4.553 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)OC ZINC001545791085 1067087886 /nfs/dbraw/zinc/08/78/86/1067087886.db2.gz HCZQVDMCMVLUDW-UHFFFAOYSA-N 0 0 496.681 4.694 20 0 JJADRN CC[C@H](OC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)c1cccc(Cl)c1 ZINC001458560284 1067087942 /nfs/dbraw/zinc/08/79/42/1067087942.db2.gz OQIYJUQTMAXBRC-SQJMNOBHSA-N 0 0 450.922 4.955 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791097 1067087929 /nfs/dbraw/zinc/08/79/29/1067087929.db2.gz HNADROAVTIRWCA-INIZCTEOSA-N 0 0 494.731 4.659 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(-c4ccccc4)c(C)n3)cc(C(C)C)nc21 ZINC001450539618 1067087938 /nfs/dbraw/zinc/08/79/38/1067087938.db2.gz IRVSDMOJFJTKEF-UHFFFAOYSA-N 0 0 457.534 4.653 20 0 JJADRN CN(c1ncnc2c1cnn2-c1ccccc1F)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001458564075 1067088114 /nfs/dbraw/zinc/08/81/14/1067088114.db2.gz XJSZAUYYFNNGAA-UHFFFAOYSA-N 0 0 454.550 4.618 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OC(F)F)CCO1 ZINC001546102156 1067088312 /nfs/dbraw/zinc/08/83/12/1067088312.db2.gz SHHQLXMGXJXDTP-RQBNJVACSA-N 0 0 478.584 4.852 20 0 JJADRN O=C(CCCS(=O)(=O)c1cccc(Br)c1)O[C@H]1CCc2cc(Cl)ccc21 ZINC001458564673 1067088329 /nfs/dbraw/zinc/08/83/29/1067088329.db2.gz XHCZAITTWBACMR-SFHVURJKSA-N 0 0 457.773 4.887 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)OC ZINC001545791127 1067088263 /nfs/dbraw/zinc/08/82/63/1067088263.db2.gz HXUVJSVYRBMZAM-OXQOHEQNSA-N 0 0 479.547 4.711 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545791260 1067088517 /nfs/dbraw/zinc/08/85/17/1067088517.db2.gz MJPMSBKZURTXHD-OAQYLSRUSA-N 0 0 496.681 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1coc(-c2cccnc2)n1)c1ccc2ccccc2c1 ZINC001458567624 1067088620 /nfs/dbraw/zinc/08/86/20/1067088620.db2.gz HROGNQYWSDFYEJ-OAQYLSRUSA-N 0 0 458.518 4.886 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CCO1 ZINC001546102172 1067088714 /nfs/dbraw/zinc/08/87/14/1067088714.db2.gz SODAUCHJQLLRFR-LVXARBLLSA-N 0 0 469.630 4.712 20 0 JJADRN O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1scc(Br)c1Br ZINC001450542346 1067088687 /nfs/dbraw/zinc/08/86/87/1067088687.db2.gz MNMSJXQQNAZQAD-LLVKDONJSA-N 0 0 453.583 4.780 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001450543244 1067089019 /nfs/dbraw/zinc/08/90/19/1067089019.db2.gz GGBDBRYCCFPHQH-AWEZNQCLSA-N 0 0 455.386 4.992 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001450543308 1067089116 /nfs/dbraw/zinc/08/91/16/1067089116.db2.gz HAGZBFAWJXFOQR-HNNXBMFYSA-N 0 0 451.564 4.675 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1)SC ZINC001545791515 1067089199 /nfs/dbraw/zinc/08/91/99/1067089199.db2.gz VTFYXDCOVXRZJT-UHFFFAOYSA-N 0 0 482.698 4.577 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)OC ZINC001545791540 1067089294 /nfs/dbraw/zinc/08/92/94/1067089294.db2.gz WSIKPLNPAUMVQJ-UHFFFAOYSA-N 0 0 470.565 4.524 20 0 JJADRN Cc1cc(N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)nc(-c2ccc(Br)cc2)n1 ZINC001458569139 1067089428 /nfs/dbraw/zinc/08/94/28/1067089428.db2.gz DMTZCAXJLWVITK-LJQANCHMSA-N 0 0 453.340 4.676 20 0 JJADRN C[C@@H](OC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001458571202 1067089477 /nfs/dbraw/zinc/08/94/77/1067089477.db2.gz KBCHJQONJWOPGY-LSBZLQRGSA-N 0 0 455.404 4.939 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)N2CCC(OCc3ccccc3F)CC2)cc1C ZINC001545791989 1067089537 /nfs/dbraw/zinc/08/95/37/1067089537.db2.gz NDTDWHFESWWFGD-UHFFFAOYSA-N 0 0 453.583 4.928 20 0 JJADRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001458569662 1067089548 /nfs/dbraw/zinc/08/95/48/1067089548.db2.gz ZNXHAUJKIWYZII-NWDGAFQWSA-N 0 0 452.782 4.860 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1)OC ZINC001545791606 1067089674 /nfs/dbraw/zinc/08/96/74/1067089674.db2.gz ZOXHYMDZSFUIGG-UHFFFAOYSA-N 0 0 461.601 4.821 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001545791557 1067089727 /nfs/dbraw/zinc/08/97/27/1067089727.db2.gz XHSVBORDZIWNNP-UHFFFAOYSA-N 0 0 474.700 4.536 20 0 JJADRN CC(=O)N1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC12CCCCC2 ZINC001458570154 1067089597 /nfs/dbraw/zinc/08/95/97/1067089597.db2.gz UGIKUZLMKWBHOU-QHCPKHFHSA-N 0 0 458.961 4.993 20 0 JJADRN CC(C)Oc1ccc(-c2ccc(NC(=O)COC3CN(C(=O)OC(C)(C)C)C3)c(F)c2)cc1 ZINC001450547243 1067089737 /nfs/dbraw/zinc/08/97/37/1067089737.db2.gz GOISQEBYYQOVMS-UHFFFAOYSA-N 0 0 458.530 4.854 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2F)C1)SC ZINC001545792437 1067090030 /nfs/dbraw/zinc/09/00/30/1067090030.db2.gz ADOGHRIBHBARPO-JOCHJYFZSA-N 0 0 486.661 4.779 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)SC ZINC001545792586 1067090402 /nfs/dbraw/zinc/09/04/02/1067090402.db2.gz GASDDENEDCHJCZ-RUZDIDTESA-N 0 0 488.698 4.596 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)SC ZINC001545792529 1067090427 /nfs/dbraw/zinc/09/04/27/1067090427.db2.gz DBXYTBBICDTYDT-OAQYLSRUSA-N 0 0 472.699 4.953 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@H]1C)SC ZINC001545792558 1067090479 /nfs/dbraw/zinc/09/04/79/1067090479.db2.gz FDJPYABUPJLBEM-MRXNPFEDSA-N 0 0 483.476 4.767 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001450552738 1067090545 /nfs/dbraw/zinc/09/05/45/1067090545.db2.gz YDFGUPUNCOSXLZ-FPOVZHCZSA-N 0 0 451.828 4.882 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@H]1C(F)(F)F ZINC001458582150 1067090590 /nfs/dbraw/zinc/09/05/90/1067090590.db2.gz RRUNTWDTRRCHSO-ZBFHGGJFSA-N 0 0 456.896 4.936 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nc(C)c(C)s2)CCO1 ZINC001546102231 1067090648 /nfs/dbraw/zinc/09/06/48/1067090648.db2.gz UHRUXFBFXUWTMD-DRMXPCRNSA-N 0 0 461.676 4.518 20 0 JJADRN Cc1cc(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c(C)n1-c1ccn(C)n1 ZINC001450554014 1067091154 /nfs/dbraw/zinc/09/11/54/1067091154.db2.gz ZJLCDWXNVNSHGA-UHFFFAOYSA-N 0 0 456.369 4.966 20 0 JJADRN Cc1ccc(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cc1NS(C)(=O)=O ZINC001450557258 1067091406 /nfs/dbraw/zinc/09/14/06/1067091406.db2.gz XYDHNNBPTKNOPZ-LJQANCHMSA-N 0 0 456.530 4.773 20 0 JJADRN COCc1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)sc2cccc(F)c21 ZINC001458588882 1067091419 /nfs/dbraw/zinc/09/14/19/1067091419.db2.gz CYBVCXNNHBYRER-MRXNPFEDSA-N 0 0 450.894 4.515 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NC(C)=O)CC1)SC ZINC001545792826 1067091452 /nfs/dbraw/zinc/09/14/52/1067091452.db2.gz NRJPKMJKQJJSRB-UHFFFAOYSA-N 0 0 473.687 4.501 20 0 JJADRN CCCc1nc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)nn1-c1ccccc1F ZINC001458590817 1067091533 /nfs/dbraw/zinc/09/15/33/1067091533.db2.gz HMOYIGPKGBZKHD-KRWDZBQOSA-N 0 0 456.949 4.944 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001546024311 1067091837 /nfs/dbraw/zinc/09/18/37/1067091837.db2.gz AFZVXABBJUAQBF-OAQYLSRUSA-N 0 0 454.571 4.756 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCOc2ncccc2Cl)CCO1 ZINC001546102264 1067092038 /nfs/dbraw/zinc/09/20/38/1067092038.db2.gz VAYJFHWSMARWSU-QHCPKHFHSA-N 0 0 492.407 4.643 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001546024376 1067092260 /nfs/dbraw/zinc/09/22/60/1067092260.db2.gz CHZNDSQGDVMVJM-OAQYLSRUSA-N 0 0 454.571 4.586 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1C(C)C ZINC001546024342 1067092286 /nfs/dbraw/zinc/09/22/86/1067092286.db2.gz BGGXMUPHIDREJD-LJQANCHMSA-N 0 0 465.436 4.892 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(CC(F)(F)C(F)F)CC2)nnc1C(C)(C)C)SC ZINC001545794392 1067092402 /nfs/dbraw/zinc/09/24/02/1067092402.db2.gz BWDYOOWZNZXPTM-UHFFFAOYSA-N 0 0 453.594 4.520 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001545794449 1067092513 /nfs/dbraw/zinc/09/25/13/1067092513.db2.gz DGABFAWVYPNONH-HSZRJFAPSA-N 0 0 466.630 4.754 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545794520 1067092566 /nfs/dbraw/zinc/09/25/66/1067092566.db2.gz FWJKFTUCMHOITD-SFHVURJKSA-N 0 0 450.624 4.923 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2=O)ccc1F ZINC001458598675 1067092657 /nfs/dbraw/zinc/09/26/57/1067092657.db2.gz CVEGKUUHYRHBAC-MBSDFSHPSA-N 0 0 451.929 4.636 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC001450590091 1067092567 /nfs/dbraw/zinc/09/25/67/1067092567.db2.gz OCURIPYGVBGKFT-XMMPIXPASA-N 0 0 456.608 4.950 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)s1 ZINC001546024392 1067092626 /nfs/dbraw/zinc/09/26/26/1067092626.db2.gz COGOWVGCXSBNNT-UHFFFAOYSA-N 0 0 479.444 4.965 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(C)C(C)=O)CC1)OC ZINC001545794635 1067093008 /nfs/dbraw/zinc/09/30/08/1067093008.db2.gz JQEAPYGCCXSOAG-UHFFFAOYSA-N 0 0 499.700 4.807 20 0 JJADRN CCC(CC)(Cn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545794574 1067093026 /nfs/dbraw/zinc/09/30/26/1067093026.db2.gz HRMIKCVTKDRZLS-HHHXNRCGSA-N 0 0 484.641 4.523 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)SC ZINC001545794539 1067093052 /nfs/dbraw/zinc/09/30/52/1067093052.db2.gz GOINFAMHGLUJPG-KRWDZBQOSA-N 0 0 453.697 4.943 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545794730 1067093209 /nfs/dbraw/zinc/09/32/09/1067093209.db2.gz NAMCRFFSPQSPTD-BKMJKUGQSA-N 0 0 456.631 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)C1 ZINC001450596151 1067093421 /nfs/dbraw/zinc/09/34/21/1067093421.db2.gz INXIYYYAUZZJAF-HXUWFJFHSA-N 0 0 454.615 4.771 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)cn1 ZINC001450601744 1067093849 /nfs/dbraw/zinc/09/38/49/1067093849.db2.gz GNXAEWBRGGDBIY-GCJKJVERSA-N 0 0 454.368 4.529 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001458606606 1067093684 /nfs/dbraw/zinc/09/36/84/1067093684.db2.gz BOPPYRXCOULHQO-SUMWQHHRSA-N 0 0 459.237 4.765 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)OC ZINC001545794775 1067093692 /nfs/dbraw/zinc/09/36/92/1067093692.db2.gz ODODPJWOJLAPRR-MHECFPHRSA-N 0 0 495.089 4.813 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1)SC ZINC001545794842 1067093706 /nfs/dbraw/zinc/09/37/06/1067093706.db2.gz PRNIRIGZYLSDGT-UHFFFAOYSA-N 0 0 494.105 4.737 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(c3nc4cc(C)ccc4o3)CC2)nnc1C(C)(C)C)OC ZINC001545794814 1067093823 /nfs/dbraw/zinc/09/38/23/1067093823.db2.gz PDYQZUNGVXUSFR-UHFFFAOYSA-N 0 0 454.619 4.557 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)OC ZINC001545794776 1067093884 /nfs/dbraw/zinc/09/38/84/1067093884.db2.gz ODODPJWOJLAPRR-UUOWRZLLSA-N 0 0 495.089 4.813 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1)OC ZINC001545794877 1067094099 /nfs/dbraw/zinc/09/40/99/1067094099.db2.gz QOMMTGUNJYXQPA-UHFFFAOYSA-N 0 0 481.685 4.648 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CSc4ccccc43)c2)C1 ZINC001458608946 1067094130 /nfs/dbraw/zinc/09/41/30/1067094130.db2.gz OWWXCEBZFJHGHP-FHWLQOOXSA-N 0 0 458.649 4.742 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1)SC ZINC001545794854 1067094157 /nfs/dbraw/zinc/09/41/57/1067094157.db2.gz QANPZFWKNDIMHT-KURKYZTESA-N 0 0 451.681 4.817 20 0 JJADRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450603422 1067094294 /nfs/dbraw/zinc/09/42/94/1067094294.db2.gz IOWBIUPQMNRZEO-CVDCTZTESA-N 0 0 453.380 4.954 20 0 JJADRN CC[C@H](c1ccccc1OC)N(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001450604482 1067094311 /nfs/dbraw/zinc/09/43/11/1067094311.db2.gz FOTQEFAGESZPGZ-MRXNPFEDSA-N 0 0 457.621 4.737 20 0 JJADRN O=C(c1ccc(Oc2ccccc2)cc1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001458610602 1067094565 /nfs/dbraw/zinc/09/45/65/1067094565.db2.gz SWRJGDLCULKOEN-OAQYLSRUSA-N 0 0 451.320 4.555 20 0 JJADRN CCC(CC)(Cn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545795061 1067094551 /nfs/dbraw/zinc/09/45/51/1067094551.db2.gz VZHGFWZOMKQBDJ-WHCXKFMVSA-N 0 0 470.658 4.906 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)SC ZINC001545795051 1067094669 /nfs/dbraw/zinc/09/46/69/1067094669.db2.gz VTKHWJRFWSUOHA-SFHVURJKSA-N 0 0 488.576 4.555 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)cc1 ZINC001450605301 1067094756 /nfs/dbraw/zinc/09/47/56/1067094756.db2.gz KQXWHQPRNUKVLN-IITNATTFSA-N 0 0 457.412 4.591 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC001545795137 1067094981 /nfs/dbraw/zinc/09/49/81/1067094981.db2.gz YWHNDIVWBLXCGE-OAQYLSRUSA-N 0 0 470.593 4.548 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC ZINC001545795128 1067094997 /nfs/dbraw/zinc/09/49/97/1067094997.db2.gz YPWDNPVLXQBRDJ-NRFANRHFSA-N 0 0 487.048 4.963 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)OC ZINC001545795094 1067095112 /nfs/dbraw/zinc/09/51/12/1067095112.db2.gz XIKKLYRUAAHIDV-KRWDZBQOSA-N 0 0 451.011 4.719 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1 ZINC001450608616 1067095083 /nfs/dbraw/zinc/09/50/83/1067095083.db2.gz MLSQAQOWBIISGX-NRFANRHFSA-N 0 0 455.904 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cccc(C4OCCO4)c3)n2)CC1 ZINC001450608149 1067095233 /nfs/dbraw/zinc/09/52/33/1067095233.db2.gz LUXCKZPWRXUXEI-UHFFFAOYSA-N 0 0 459.568 4.555 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCC2(c3ccc(F)cc3Cl)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458612237 1067095225 /nfs/dbraw/zinc/09/52/25/1067095225.db2.gz ZUSDBKTVCNVTPY-VBKZILBWSA-N 0 0 453.316 4.639 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001450608026 1067095266 /nfs/dbraw/zinc/09/52/66/1067095266.db2.gz LCDHMRJSTMNUHO-UHFFFAOYSA-N 0 0 458.893 4.636 20 0 JJADRN COc1nc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)cc2ccccc21 ZINC001450610974 1067095430 /nfs/dbraw/zinc/09/54/30/1067095430.db2.gz UMFGVZOBZCHGNU-LJQANCHMSA-N 0 0 452.860 4.505 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1OCC ZINC001545795380 1067095649 /nfs/dbraw/zinc/09/56/49/1067095649.db2.gz FQUPJUHOAARJQY-SFTDATJTSA-N 0 0 452.595 4.568 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)SC ZINC001545796359 1067096019 /nfs/dbraw/zinc/09/60/19/1067096019.db2.gz CDWGJGIMHWIWTH-TZIWHRDSSA-N 0 0 477.719 4.526 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450611738 1067095916 /nfs/dbraw/zinc/09/59/16/1067095916.db2.gz UEKKRYSOJMKASL-SUMWQHHRSA-N 0 0 457.162 4.699 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1)SC ZINC001545796514 1067096208 /nfs/dbraw/zinc/09/62/08/1067096208.db2.gz HSJUHLZJLLVWMB-PWRODBHTSA-N 0 0 482.735 4.749 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC001458614539 1067096232 /nfs/dbraw/zinc/09/62/32/1067096232.db2.gz PDEYMAWSHNYWKE-OAQYLSRUSA-N 0 0 458.986 4.632 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458619521 1067096699 /nfs/dbraw/zinc/09/66/99/1067096699.db2.gz BPAYNCALCGPMAT-AWEZNQCLSA-N 0 0 456.167 4.581 20 0 JJADRN CCc1c(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cnn1C1CCCC1 ZINC001450621198 1067096775 /nfs/dbraw/zinc/09/67/75/1067096775.db2.gz GTHCAYXLUJUDLB-FQEVSTJZSA-N 0 0 457.924 4.822 20 0 JJADRN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450622023 1067096808 /nfs/dbraw/zinc/09/68/08/1067096808.db2.gz BHDKPYGNDBDAMO-KBPBESRZSA-N 0 0 450.892 4.903 20 0 JJADRN CC[C@H]1[C@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCN1C(=O)OC(C)(C)C ZINC001458619636 1067096942 /nfs/dbraw/zinc/09/69/42/1067096942.db2.gz DAIRKZSIIOFUAO-QAPCUYQASA-N 0 0 456.414 4.678 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001546024575 1067097171 /nfs/dbraw/zinc/09/71/71/1067097171.db2.gz JPWJFXQJNYAJGU-UHFFFAOYSA-N 0 0 475.424 4.525 20 0 JJADRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc1 ZINC001450627693 1067097231 /nfs/dbraw/zinc/09/72/31/1067097231.db2.gz LTJIUDAUQWQSBS-IRXDYDNUSA-N 0 0 458.484 4.645 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3[C@H](C)CN(c4ccc(C(F)(F)F)cc4)C[C@H]3C)[nH]n2)cc1 ZINC001450630449 1067097535 /nfs/dbraw/zinc/09/75/35/1067097535.db2.gz RZFBIPYUPFQZTJ-HZPDHXFCSA-N 0 0 458.484 4.844 20 0 JJADRN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001450632249 1067097647 /nfs/dbraw/zinc/09/76/47/1067097647.db2.gz YKRQUCNXEYMFRU-KOZYKIRVSA-N 0 0 481.559 4.824 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001546024644 1067098022 /nfs/dbraw/zinc/09/80/22/1067098022.db2.gz MEOKZQBEGYBLLC-ZIAGYGMSSA-N 0 0 471.440 4.728 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1)OC ZINC001545797946 1067098021 /nfs/dbraw/zinc/09/80/21/1067098021.db2.gz CJGWULWUJSVDDT-HXUWFJFHSA-N 0 0 498.455 4.982 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)OC ZINC001545797971 1067098088 /nfs/dbraw/zinc/09/80/88/1067098088.db2.gz CSVOEEFELFUSPL-QUCCMNQESA-N 0 0 493.446 4.548 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001546024643 1067098206 /nfs/dbraw/zinc/09/82/06/1067098206.db2.gz MEOKZQBEGYBLLC-OKILXGFUSA-N 0 0 471.440 4.728 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)OC ZINC001545798090 1067098456 /nfs/dbraw/zinc/09/84/56/1067098456.db2.gz FULHGRPTKXPSNV-NQERJWCQSA-N 0 0 453.002 4.786 20 0 JJADRN C[C@H](NC(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c2ccccc21 ZINC001450644592 1067098496 /nfs/dbraw/zinc/09/84/96/1067098496.db2.gz GXMSKWUKMJBJTC-LMKMVOKYSA-N 0 0 455.530 4.702 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC[C@@H](c3ccncc3)C2)cc1)c1cccc(Br)c1 ZINC001450645831 1067098752 /nfs/dbraw/zinc/09/87/52/1067098752.db2.gz YETYFJLILBJZIZ-LJQANCHMSA-N 0 0 450.336 4.726 20 0 JJADRN O=C(Nc1ccc2c(c1)C(=O)OC2)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001450650808 1067098881 /nfs/dbraw/zinc/09/88/81/1067098881.db2.gz ZPLKLQMMLHZYRH-UHFFFAOYSA-N 0 0 457.305 4.686 20 0 JJADRN O=S(=O)(c1cc(F)ccc1N1CCC[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC001458628896 1067099037 /nfs/dbraw/zinc/09/90/37/1067099037.db2.gz GYUKCCHFWDTVDO-ZDUSSCGKSA-N 0 0 453.255 4.618 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001546024703 1067098911 /nfs/dbraw/zinc/09/89/11/1067098911.db2.gz NYCZMAPCNNUWSU-AWEZNQCLSA-N 0 0 485.854 4.916 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCn3c(Cl)ccc3[C@H]2C)[C@H]1c1ccccc1OC ZINC001450649519 1067099100 /nfs/dbraw/zinc/09/91/00/1067099100.db2.gz BWXHAQGMSUYSML-YIGJPRQDSA-N 0 0 458.002 4.833 20 0 JJADRN Cn1c(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc2cc(Br)cnc21 ZINC001450654884 1067099117 /nfs/dbraw/zinc/09/91/17/1067099117.db2.gz COAUWZVJPJGAFI-UHFFFAOYSA-N 0 0 452.274 4.669 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c2ccccc21 ZINC001450647016 1067099149 /nfs/dbraw/zinc/09/91/49/1067099149.db2.gz MJRIJGHQGNOTIM-JLTOFOAXSA-N 0 0 455.327 4.972 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001450655469 1067099306 /nfs/dbraw/zinc/09/93/06/1067099306.db2.gz DCBSTSPHRGLOGX-UHFFFAOYSA-N 0 0 459.493 4.658 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC ZINC001545798342 1067099573 /nfs/dbraw/zinc/09/95/73/1067099573.db2.gz JNAOIWHTGGIMGP-QFIPXVFZSA-N 0 0 488.652 4.556 20 0 JJADRN CCC(CC)[C@H](CCn1c(C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545798363 1067099609 /nfs/dbraw/zinc/09/96/09/1067099609.db2.gz JVVPJDPDUXZUQQ-CTNGQTDRSA-N 0 0 451.656 4.511 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C)C1)OC ZINC001545798414 1067099791 /nfs/dbraw/zinc/09/97/91/1067099791.db2.gz KQJKLGUKNYLPJU-KKSFZXQISA-N 0 0 495.462 4.783 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)c2ccccc2)CCO1 ZINC001546102527 1067100057 /nfs/dbraw/zinc/10/00/57/1067100057.db2.gz ZRBKNKXDHQUYIS-PGTSUSQTSA-N 0 0 469.674 4.727 20 0 JJADRN 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450.749 4.548 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccccc2C)C1)OC ZINC001545800325 1067106771 /nfs/dbraw/zinc/10/67/71/1067106771.db2.gz DYJICRIGMWGCRK-URXFXBBRSA-N 0 0 450.631 4.822 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1)OC ZINC001545800279 1067106867 /nfs/dbraw/zinc/10/68/67/1067106867.db2.gz DGHFTXUSKWJHSI-VWNXMTODSA-N 0 0 470.658 4.501 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)c2)cs1 ZINC001458677393 1067106978 /nfs/dbraw/zinc/10/69/78/1067106978.db2.gz QRFWDMBPKINUMZ-SFHVURJKSA-N 0 0 459.493 4.668 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001458675962 1067107079 /nfs/dbraw/zinc/10/70/79/1067107079.db2.gz LYZWDOBVJOAXQR-HXUWFJFHSA-N 0 0 455.480 4.550 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccc(Cl)s3)C2=O)ccc1Br ZINC001458683141 1067108040 /nfs/dbraw/zinc/10/80/40/1067108040.db2.gz OAWITOLOGYRFPR-MRXNPFEDSA-N 0 0 455.805 4.717 20 0 JJADRN 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4.965 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)c3c(C)noc3n2)c(C)o1 ZINC001450729127 1067111652 /nfs/dbraw/zinc/11/16/52/1067111652.db2.gz DEBBHILMUQDALW-IBGZPJMESA-N 0 0 459.424 4.890 20 0 JJADRN Cn1ccc([C@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccc(Cl)cc2)n1 ZINC001458700922 1067112118 /nfs/dbraw/zinc/11/21/18/1067112118.db2.gz VYVIVDRDUIZOGY-HXUWFJFHSA-N 0 0 459.859 4.797 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001450729983 1067112133 /nfs/dbraw/zinc/11/21/33/1067112133.db2.gz QLSODYZUNWAUKC-IYARVYRRSA-N 0 0 455.640 4.517 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N[C@@H](CC(F)(F)F)C(=O)OC)cc1 ZINC001458702965 1067112194 /nfs/dbraw/zinc/11/21/94/1067112194.db2.gz DOVQFTGRHTYUDM-IBGZPJMESA-N 0 0 459.468 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001450736162 1067113134 /nfs/dbraw/zinc/11/31/34/1067113134.db2.gz CJKJZVMXVZFBOY-GOSISDBHSA-N 0 0 450.461 4.664 20 0 JJADRN O=C(C1=C(c2ccccc2)SCCO1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450735793 1067113140 /nfs/dbraw/zinc/11/31/40/1067113140.db2.gz ANIGHVWJEKNCAR-SFHVURJKSA-N 0 0 451.466 4.617 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2ccncc2)nnc1N1CCc2ccc(F)cc2C1)OC ZINC001545803526 1067113427 /nfs/dbraw/zinc/11/34/27/1067113427.db2.gz PHPMMWHEKHXXOP-DEOSSOPVSA-N 0 0 451.590 4.807 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001458713091 1067113501 /nfs/dbraw/zinc/11/35/01/1067113501.db2.gz NBYHDKJHKLVPBD-JQYIIUTOSA-N 0 0 478.633 4.957 20 0 JJADRN Cc1c(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001450738569 1067113637 /nfs/dbraw/zinc/11/36/37/1067113637.db2.gz UMZWNYQXBVRSIK-SFHVURJKSA-N 0 0 457.374 4.682 20 0 JJADRN CC1(C)C[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCO1 ZINC001458716472 1067114171 /nfs/dbraw/zinc/11/41/71/1067114171.db2.gz KNJRHGFLOJJREP-SFHVURJKSA-N 0 0 456.999 4.754 20 0 JJADRN O=C(c1ccnc(OCc2ccccc2)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450740832 1067114316 /nfs/dbraw/zinc/11/43/16/1067114316.db2.gz GMFYNEURNIIBEM-NRFANRHFSA-N 0 0 458.436 4.773 20 0 JJADRN COC(=O)c1nc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)sc1C(C)C ZINC001450745286 1067114982 /nfs/dbraw/zinc/11/49/82/1067114982.db2.gz VDPQKCOXNLEKKA-UHFFFAOYSA-N 0 0 453.520 4.566 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1 ZINC001458717031 1067114864 /nfs/dbraw/zinc/11/48/64/1067114864.db2.gz NYOXBAXELOISAO-UHFFFAOYSA-N 0 0 452.580 4.719 20 0 JJADRN CC1(C)C[C@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c2ccc(F)cc2O1 ZINC001546025656 1067115030 /nfs/dbraw/zinc/11/50/30/1067115030.db2.gz OTSKBPRIDKLIDH-WBVHZDCISA-N 0 0 451.325 4.904 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2cccnc2)nnc1N1CCOC2(CCCCC2)C1)OC ZINC001545804045 1067115434 /nfs/dbraw/zinc/11/54/34/1067115434.db2.gz ZCMOSHHQUJXKSF-QHCPKHFHSA-N 0 0 455.647 4.645 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1cc(Br)c(C)cc1Br)CCO2 ZINC001458718596 1067115665 /nfs/dbraw/zinc/11/56/65/1067115665.db2.gz OPNTWSROULSLJQ-INIZCTEOSA-N 0 0 455.146 4.782 20 0 JJADRN Cc1csc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1Br ZINC001450748479 1067115630 /nfs/dbraw/zinc/11/56/30/1067115630.db2.gz UVSLOVBKVUDMOE-CYBMUJFWSA-N 0 0 450.276 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC001458721859 1067116241 /nfs/dbraw/zinc/11/62/41/1067116241.db2.gz MFALIKWQZORPDB-CJAUYULYSA-N 0 0 455.624 4.679 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC001458721819 1067116287 /nfs/dbraw/zinc/11/62/87/1067116287.db2.gz MFALIKWQZORPDB-AVRWGWEMSA-N 0 0 455.624 4.679 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc4sccc4c3)c2)cc1 ZINC001450750762 1067116244 /nfs/dbraw/zinc/11/62/44/1067116244.db2.gz ILOWRZNBBIGNBU-UHFFFAOYSA-N 0 0 452.557 4.641 20 0 JJADRN CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450752187 1067116379 /nfs/dbraw/zinc/11/63/79/1067116379.db2.gz ZGOPMFZOTKVSHT-IBGZPJMESA-N 0 0 450.457 4.784 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC001458721921 1067116953 /nfs/dbraw/zinc/11/69/53/1067116953.db2.gz COAIGBYODPQGML-WZONZLPQSA-N 0 0 451.954 4.616 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001450754834 1067116976 /nfs/dbraw/zinc/11/69/76/1067116976.db2.gz XCWREHDDLJXTLD-XMMPIXPASA-N 0 0 459.542 4.920 20 0 JJADRN O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001450755668 1067117014 /nfs/dbraw/zinc/11/70/14/1067117014.db2.gz WGECSIORAFMOTH-UHFFFAOYSA-N 0 0 457.456 4.774 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001458722823 1067117582 /nfs/dbraw/zinc/11/75/82/1067117582.db2.gz BNGDRAAETJRQLE-OXJNMPFZSA-N 0 0 450.398 4.542 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(F)(F)F ZINC001546026033 1067117664 /nfs/dbraw/zinc/11/76/64/1067117664.db2.gz APXRJHXFBZNRKV-UHFFFAOYSA-N 0 0 452.477 4.667 20 0 JJADRN O=c1c2ccccc2nc(SCC[S@](=O)C(F)(F)F)n1-c1ccc(F)c(Cl)c1 ZINC001458726279 1067118791 /nfs/dbraw/zinc/11/87/91/1067118791.db2.gz PTBLIMUYLRGDEO-NDEPHWFRSA-N 0 0 450.866 4.539 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccc(OC(F)F)c(F)c1 ZINC001450773122 1067119106 /nfs/dbraw/zinc/11/91/06/1067119106.db2.gz JNEHPVCMYYIVJC-UHFFFAOYSA-N 0 0 450.438 4.621 20 0 JJADRN CC[C@H](c1nnc(SCc2cccnc2C(F)(F)F)n1-c1ccc(OC)cc1)N(C)C ZINC001458727490 1067119654 /nfs/dbraw/zinc/11/96/54/1067119654.db2.gz CCHKNIPEZDOQPP-QGZVFWFLSA-N 0 0 451.518 4.995 20 0 JJADRN COCCCn1c(SCc2cc3ccccc3n(C)c2=O)nnc1-c1ccccc1Cl ZINC001458727079 1067119776 /nfs/dbraw/zinc/11/97/76/1067119776.db2.gz KGLZISSESYSVBK-UHFFFAOYSA-N 0 0 454.983 4.779 20 0 JJADRN C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(F)c2)n1-c1ccc(F)cc1)N(C)C ZINC001458727735 1067120077 /nfs/dbraw/zinc/12/00/77/1067120077.db2.gz COGFBATUCIQQRM-GFCCVEGCSA-N 0 0 451.930 4.552 20 0 JJADRN C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(F)c2)n1-c1ccc(F)cc1)N(C)C ZINC001458727739 1067120106 /nfs/dbraw/zinc/12/01/06/1067120106.db2.gz COGFBATUCIQQRM-LBPRGKRZSA-N 0 0 451.930 4.552 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1CC1 ZINC001458728377 1067120254 /nfs/dbraw/zinc/12/02/54/1067120254.db2.gz TZLGPRWMOAYPNP-GOSISDBHSA-N 0 0 455.624 4.821 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccc(Br)cc4)n3)C2=O)cc1 ZINC001458728893 1067120950 /nfs/dbraw/zinc/12/09/50/1067120950.db2.gz DGCISLDMGKQERN-NRFANRHFSA-N 0 0 456.365 4.848 20 0 JJADRN CCCCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC001458729354 1067121070 /nfs/dbraw/zinc/12/10/70/1067121070.db2.gz GECHQIRXRJVBAL-HOTGVXAUSA-N 0 0 455.649 4.969 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC001458729511 1067121652 /nfs/dbraw/zinc/12/16/52/1067121652.db2.gz PSSCUJWGKCNQSN-OPAMFIHVSA-N 0 0 455.396 4.696 20 0 JJADRN CCc1oc2ccccc2c1CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC001458731264 1067121675 /nfs/dbraw/zinc/12/16/75/1067121675.db2.gz WNSFPJKKFINVML-IBGZPJMESA-N 0 0 455.352 4.530 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001546026207 1067121848 /nfs/dbraw/zinc/12/18/48/1067121848.db2.gz HYQGBYDTZDGISK-NRFANRHFSA-N 0 0 458.990 4.928 20 0 JJADRN COc1ccc(/C=C2\N=C(SCOC(=O)OC(C)C)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458730436 1067122109 /nfs/dbraw/zinc/12/21/09/1067122109.db2.gz PFWCKPMKQGJSKS-NDENLUEZSA-N 0 0 456.520 4.700 20 0 JJADRN CCN(CC)C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F ZINC001458730169 1067122210 /nfs/dbraw/zinc/12/22/10/1067122210.db2.gz KLLOQWXYMMJCRL-LBPRGKRZSA-N 0 0 451.926 4.666 20 0 JJADRN CCCn1c(SCCOc2cccc(S(C)(=O)=O)c2)nnc1-c1ccc(Cl)cc1 ZINC001458732275 1067122228 /nfs/dbraw/zinc/12/22/28/1067122228.db2.gz OKJVJCNUXMOONV-UHFFFAOYSA-N 0 0 452.001 4.583 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001450798902 1067122638 /nfs/dbraw/zinc/12/26/38/1067122638.db2.gz HIWVXMXLKFMKEX-UHFFFAOYSA-N 0 0 452.580 4.810 20 0 JJADRN COc1ccc([C@H](CCO)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc1 ZINC001545806194 1067122847 /nfs/dbraw/zinc/12/28/47/1067122847.db2.gz BGUPUIKQGJBKDW-DEOSSOPVSA-N 0 0 458.562 4.850 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)cnn1-c1ccc(Br)cc1 ZINC001458731999 1067123509 /nfs/dbraw/zinc/12/35/09/1067123509.db2.gz YPCCAKGSVIMLDY-LJQANCHMSA-N 0 0 456.388 4.782 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)CCOCc3ccccc3)c2)c1 ZINC001450805049 1067123918 /nfs/dbraw/zinc/12/39/18/1067123918.db2.gz PKUITFVIYLUXJD-HXUWFJFHSA-N 0 0 452.576 4.521 20 0 JJADRN CCCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC001458733474 1067123999 /nfs/dbraw/zinc/12/39/99/1067123999.db2.gz SVDXVEVNFLOCQJ-UHFFFAOYSA-N 0 0 457.987 4.614 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001546026285 1067124278 /nfs/dbraw/zinc/12/42/78/1067124278.db2.gz KFRKLMGPLOQVFB-UHFFFAOYSA-N 0 0 453.974 4.544 20 0 JJADRN COCCCn1c(SC[C@@H]2CN(c3ccccc3)CCO2)nnc1-c1ccccc1Cl ZINC001458735786 1067125516 /nfs/dbraw/zinc/12/55/16/1067125516.db2.gz VNQIHZVKBYCNBE-IBGZPJMESA-N 0 0 459.015 4.633 20 0 JJADRN CN(C)C(=O)CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 ZINC001458736500 1067126243 /nfs/dbraw/zinc/12/62/43/1067126243.db2.gz UHYUOSRHWMKSBA-UHFFFAOYSA-N 0 0 459.612 4.816 20 0 JJADRN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450823479 1067126354 /nfs/dbraw/zinc/12/63/54/1067126354.db2.gz CIIPHERWXGIFJZ-FPOVZHCZSA-N 0 0 457.368 4.643 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC001450824892 1067126408 /nfs/dbraw/zinc/12/64/08/1067126408.db2.gz AMEXKLKDUJPOPM-GOTSBHOMSA-N 0 0 453.583 4.606 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC001450824898 1067126463 /nfs/dbraw/zinc/12/64/63/1067126463.db2.gz AMEXKLKDUJPOPM-PKTZIBPZSA-N 0 0 453.583 4.606 20 0 JJADRN O=c1c2cc(Cl)ccc2nc(SCCOC[C@H]2CCCO2)n1-c1ccc(F)cc1F ZINC001458738441 1067127021 /nfs/dbraw/zinc/12/70/21/1067127021.db2.gz VUUVZLDCJDDNLR-OAHLLOKOSA-N 0 0 452.910 4.605 20 0 JJADRN CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2oc(-c3ccccc3)nc2C(F)(F)F)C1 ZINC001458737698 1067127051 /nfs/dbraw/zinc/12/70/51/1067127051.db2.gz ZJHVTZHANIXFCZ-MRXNPFEDSA-N 0 0 455.477 4.559 20 0 JJADRN CC[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)C(=O)NCc1ccccc1 ZINC001458738863 1067127383 /nfs/dbraw/zinc/12/73/83/1067127383.db2.gz YZYSYFFWBBIIBL-XMMPIXPASA-N 0 0 457.599 4.940 20 0 JJADRN CC[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)C(=O)NCc1ccccc1 ZINC001458738850 1067127445 /nfs/dbraw/zinc/12/74/45/1067127445.db2.gz YZYSYFFWBBIIBL-DEOSSOPVSA-N 0 0 457.599 4.940 20 0 JJADRN COc1ccc(CSc2nnc(Cc3cccc4ccccc43)n2N)c(Br)c1 ZINC001458739005 1067127524 /nfs/dbraw/zinc/12/75/24/1067127524.db2.gz YWEYKXYWBSRLJY-UHFFFAOYSA-N 0 0 455.381 4.799 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001546026606 1067127568 /nfs/dbraw/zinc/12/75/68/1067127568.db2.gz UOPIZAWHVKBJFJ-UHFFFAOYSA-N 0 0 478.822 4.944 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001546026569 1067127621 /nfs/dbraw/zinc/12/76/21/1067127621.db2.gz SHAQAKJYSAUCDE-RBUKOAKNSA-N 0 0 453.414 4.951 20 0 JJADRN COC[C@@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)c1cccc(Cl)c1 ZINC001450834456 1067128274 /nfs/dbraw/zinc/12/82/74/1067128274.db2.gz VLHAIJMXSQGGQZ-HSZRJFAPSA-N 0 0 458.002 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC001450835016 1067128797 /nfs/dbraw/zinc/12/87/97/1067128797.db2.gz SHCFODDXTWBQBZ-GSPCLOLRSA-N 0 0 456.627 4.737 20 0 JJADRN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001450836344 1067128850 /nfs/dbraw/zinc/12/88/50/1067128850.db2.gz DUHZMWKXGDRZMJ-QHCPKHFHSA-N 0 0 450.579 4.841 20 0 JJADRN Cn1c(=O)c2c(nc1SCC(=O)c1ccc(C(F)(F)F)nc1Cl)sc1c2CCC1 ZINC001458740775 1067128912 /nfs/dbraw/zinc/12/89/12/1067128912.db2.gz ACYBZGRXZHBMPG-UHFFFAOYSA-N 0 0 459.902 4.526 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)cc1 ZINC001450837828 1067129575 /nfs/dbraw/zinc/12/95/75/1067129575.db2.gz REQSWQAKLCGZLI-UHFFFAOYSA-N 0 0 450.510 4.735 20 0 JJADRN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCCOc2cccc(C(F)(F)F)c2)C1=O ZINC001458743651 1067129647 /nfs/dbraw/zinc/12/96/47/1067129647.db2.gz SFQQXDUCAQMESB-FQEVSTJZSA-N 0 0 458.383 4.543 20 0 JJADRN COC(=O)[C@H](Sc1nnc(-c2ccccc2Cl)n1C)c1cccc(Br)c1 ZINC001458744915 1067129699 /nfs/dbraw/zinc/12/96/99/1067129699.db2.gz HDBRNICAKONVHN-OAHLLOKOSA-N 0 0 452.761 4.904 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC001458746378 1067130220 /nfs/dbraw/zinc/13/02/20/1067130220.db2.gz YQNMWMYLRXHEAK-WIYLKSMFSA-N 0 0 455.382 4.764 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001450840345 1067130338 /nfs/dbraw/zinc/13/03/38/1067130338.db2.gz IBUOMOUXYVHTCW-AEFFLSMTSA-N 0 0 459.612 4.653 20 0 JJADRN CCCn1c(SCC(=O)c2cnccn2)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC001458748396 1067131049 /nfs/dbraw/zinc/13/10/49/1067131049.db2.gz AQGDISLSCYFKCG-AWEZNQCLSA-N 0 0 456.637 4.784 20 0 JJADRN C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450846693 1067131000 /nfs/dbraw/zinc/13/10/00/1067131000.db2.gz XFLXYJWKTCIPQA-DZGCQCFKSA-N 0 0 459.812 4.654 20 0 JJADRN O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC001450843001 1067131136 /nfs/dbraw/zinc/13/11/36/1067131136.db2.gz HLBCUVNSYRGKPO-UHFFFAOYSA-N 0 0 458.436 4.973 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2S[C@H]2CCN(OC)C2=O)cc1 ZINC001458749850 1067131512 /nfs/dbraw/zinc/13/15/12/1067131512.db2.gz RTOYFUGWFKVKCG-VLIAUNLRSA-N 0 0 457.983 4.807 20 0 JJADRN CC[C@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2S[C@H]2CCN(OC)C2=O)cc1 ZINC001458749854 1067131560 /nfs/dbraw/zinc/13/15/60/1067131560.db2.gz RTOYFUGWFKVKCG-XOBRGWDASA-N 0 0 457.983 4.807 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC(c3cccc(F)c3)CC2)CC1 ZINC001450846905 1067131722 /nfs/dbraw/zinc/13/17/22/1067131722.db2.gz KOWZYYRMFHZJQF-UHFFFAOYSA-N 0 0 458.961 4.746 20 0 JJADRN C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2Cl)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450846723 1067131753 /nfs/dbraw/zinc/13/17/53/1067131753.db2.gz XFLXYJWKTCIPQA-ZFWWWQNUSA-N 0 0 459.812 4.654 20 0 JJADRN COc1ccc(-c2nnc(SCc3nccn3CC(F)F)n2CCc2ccccc2)cc1 ZINC001458753871 1067132215 /nfs/dbraw/zinc/13/22/15/1067132215.db2.gz XVAQYLNEVRYDJH-UHFFFAOYSA-N 0 0 455.534 4.950 20 0 JJADRN C[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450849081 1067132405 /nfs/dbraw/zinc/13/24/05/1067132405.db2.gz MOTHHBSVGHFYHJ-ZFWWWQNUSA-N 0 0 450.377 4.553 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC001450853389 1067132439 /nfs/dbraw/zinc/13/24/39/1067132439.db2.gz UYWYYLLRJFPAIZ-UHFFFAOYSA-N 0 0 456.514 4.785 20 0 JJADRN CCOc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c2ncccc12 ZINC001458759353 1067133449 /nfs/dbraw/zinc/13/34/49/1067133449.db2.gz MCEYLPJFNYQRKI-OAQYLSRUSA-N 0 0 453.461 4.762 20 0 JJADRN Cc1ccc(F)c(-c2cc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)n[nH]2)c1 ZINC001450893631 1067133732 /nfs/dbraw/zinc/13/37/32/1067133732.db2.gz RFFASRRSIVZDAG-UHFFFAOYSA-N 0 0 452.364 4.593 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458762178 1067134067 /nfs/dbraw/zinc/13/40/67/1067134067.db2.gz LORKEJYZQSIUQP-NSHDSACASA-N 0 0 455.146 4.816 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2)C1 ZINC001546103300 1067134095 /nfs/dbraw/zinc/13/40/95/1067134095.db2.gz GEECYSNFSKNYPI-UHFFFAOYSA-N 0 0 464.639 4.875 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001450896137 1067134688 /nfs/dbraw/zinc/13/46/88/1067134688.db2.gz LUCIKCPKNTUEHH-KRWDZBQOSA-N 0 0 452.267 4.542 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC001450908211 1067135323 /nfs/dbraw/zinc/13/53/23/1067135323.db2.gz JFDSGUJSWHMXPD-PKTZIBPZSA-N 0 0 455.396 4.544 20 0 JJADRN CN(C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458766954 1067135322 /nfs/dbraw/zinc/13/53/22/1067135322.db2.gz WOGJKQMPIGLOAS-SGNDLWITSA-N 0 0 454.542 4.696 20 0 JJADRN O=C(C=Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC001450910816 1067135412 /nfs/dbraw/zinc/13/54/12/1067135412.db2.gz KRUUNHDPRWSNDM-QLQLNADESA-N 0 0 457.361 4.580 20 0 JJADRN CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 ZINC001458766956 1067135464 /nfs/dbraw/zinc/13/54/64/1067135464.db2.gz JCELLQJMGAOQCU-RDPSFJRHSA-N 0 0 454.636 4.687 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C3CC3)C3CCC3)cc2)cc1 ZINC001450906790 1067135429 /nfs/dbraw/zinc/13/54/29/1067135429.db2.gz DZTAPQPFOJYVRM-XMMPIXPASA-N 0 0 454.636 4.771 20 0 JJADRN Cc1cc(Br)c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1Cl ZINC001458767258 1067135934 /nfs/dbraw/zinc/13/59/34/1067135934.db2.gz ATFYBJCVTHRQBG-UHFFFAOYSA-N 0 0 459.793 4.692 20 0 JJADRN O=C1[C@@H](Sc2nc3cc(Br)cnc3[nH]2)CCN1c1ccc(Cl)cc1Cl ZINC001458767415 1067136026 /nfs/dbraw/zinc/13/60/26/1067136026.db2.gz HOTIXISYGZDSLQ-ZDUSSCGKSA-N 0 0 458.168 4.925 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001546027710 1067136087 /nfs/dbraw/zinc/13/60/87/1067136087.db2.gz IZUVDXRMDJKFQA-VWLOTQADSA-N 0 0 456.631 4.538 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(S[C@H]3CCN(c4ccc(F)cc4)C3=O)n2CC)cc1 ZINC001458770758 1067137181 /nfs/dbraw/zinc/13/71/81/1067137181.db2.gz NWAXXPIFAGZXKR-NRFANRHFSA-N 0 0 453.587 4.848 20 0 JJADRN Cn1c(SCc2ccc(S(=O)(=O)NC3CC3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC001458770950 1067137758 /nfs/dbraw/zinc/13/77/58/1067137758.db2.gz BEUSVRFVZFBTEN-UHFFFAOYSA-N 0 0 456.637 4.513 20 0 JJADRN Cc1ccccc1-n1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 ZINC001458770919 1067137789 /nfs/dbraw/zinc/13/77/89/1067137789.db2.gz OYZXFEWYVXHJKG-GOSISDBHSA-N 0 0 451.596 4.987 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)c2ccccc2F)C1 ZINC001546103343 1067137923 /nfs/dbraw/zinc/13/79/23/1067137923.db2.gz HOCKJEUTWVOTKA-UHFFFAOYSA-N 0 0 479.604 4.608 20 0 JJADRN CCc1ccc(-n2c(SCC(=O)NCCc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC001458772115 1067138472 /nfs/dbraw/zinc/13/84/72/1067138472.db2.gz BEUQMSZYBDNOGR-UHFFFAOYSA-N 0 0 457.599 4.708 20 0 JJADRN C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCCNC(=O)OCC(F)(F)F)[C@@H]1C ZINC001458772280 1067138928 /nfs/dbraw/zinc/13/89/28/1067138928.db2.gz ARPNWKWEOPFVIE-CPUCHLNUSA-N 0 0 457.518 4.774 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CCc2c(Br)ccc(F)c2C1 ZINC001458773278 1067139087 /nfs/dbraw/zinc/13/90/87/1067139087.db2.gz GWVUPURTSUAITG-UHFFFAOYSA-N 0 0 454.752 4.746 20 0 JJADRN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)c1ccc(Cl)cc1 ZINC001451007819 1067139167 /nfs/dbraw/zinc/13/91/67/1067139167.db2.gz DGOSYOUFLIBOFK-ZDUSSCGKSA-N 0 0 450.894 4.910 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)C1 ZINC001546103409 1067139641 /nfs/dbraw/zinc/13/96/41/1067139641.db2.gz JNCYSIHKZXBBNG-LJQANCHMSA-N 0 0 460.594 4.505 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001451025244 1067139810 /nfs/dbraw/zinc/13/98/10/1067139810.db2.gz CBDZHUHXRADHAE-HNNXBMFYSA-N 0 0 459.359 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Nc3cnccn3)c2)[C@@H](c2ccccc2)C1 ZINC001451025057 1067139930 /nfs/dbraw/zinc/13/99/30/1067139930.db2.gz BQLXDJNJGPUZHW-JOCHJYFZSA-N 0 0 459.550 4.654 20 0 JJADRN CCCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3 ZINC001458774844 1067140157 /nfs/dbraw/zinc/14/01/57/1067140157.db2.gz ILBLDQPEEDJLLP-MRXNPFEDSA-N 0 0 455.649 4.950 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1Cc1ccccc1 ZINC001451025053 1067140037 /nfs/dbraw/zinc/14/00/37/1067140037.db2.gz BPHIRAYZHQUDIG-LJQANCHMSA-N 0 0 456.355 4.760 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001546027759 1067140577 /nfs/dbraw/zinc/14/05/77/1067140577.db2.gz KLQYTAAJZVBQOZ-MRXNPFEDSA-N 0 0 465.436 4.894 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc3cccnc32)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001546027763 1067140680 /nfs/dbraw/zinc/14/06/80/1067140680.db2.gz KLXKXHONXQGXDW-QGZVFWFLSA-N 0 0 450.612 4.741 20 0 JJADRN CC(=O)[C@@H](Cc1ccc(F)cc1F)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC001458776112 1067140758 /nfs/dbraw/zinc/14/07/58/1067140758.db2.gz GRIVZHHFXAMOLU-JOCHJYFZSA-N 0 0 450.514 4.959 20 0 JJADRN O=C(CCc1nc(-c2ccncc2)no1)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001458777184 1067141916 /nfs/dbraw/zinc/14/19/16/1067141916.db2.gz WTHNEEIGFWWXDV-HNNXBMFYSA-N 0 0 458.362 4.893 20 0 JJADRN Cc1cc(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)ccc1Br ZINC001451042490 1067142007 /nfs/dbraw/zinc/14/20/07/1067142007.db2.gz RSICRAASZBXCEM-UHFFFAOYSA-N 0 0 459.413 4.870 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001546028163 1067142612 /nfs/dbraw/zinc/14/26/12/1067142612.db2.gz ZKGWXYYOLHYQER-RUZDIDTESA-N 0 0 451.615 4.686 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC001458779398 1067142947 /nfs/dbraw/zinc/14/29/47/1067142947.db2.gz DJNOAYNNIPDKMG-JKSUJKDBSA-N 0 0 450.398 4.789 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001458780347 1067142964 /nfs/dbraw/zinc/14/29/64/1067142964.db2.gz QGDOQCRMCVUSJI-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccc(Br)cc1 ZINC001458780292 1067142985 /nfs/dbraw/zinc/14/29/85/1067142985.db2.gz QCOBPWYDOAZQLH-NQIIRXRSSA-N 0 0 458.331 4.732 20 0 JJADRN COC(=O)[C@H](Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)c1ccc(F)cc1 ZINC001458780243 1067142991 /nfs/dbraw/zinc/14/29/91/1067142991.db2.gz ZBVZFGOETJBUNZ-OAQYLSRUSA-N 0 0 450.491 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451046806 1067143320 /nfs/dbraw/zinc/14/33/20/1067143320.db2.gz JPBSQQTUOLWYFU-RBBKRZOGSA-N 0 0 464.541 4.739 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCc4c(Br)ccc(F)c4C3)nc2)c1 ZINC001458780520 1067143428 /nfs/dbraw/zinc/14/34/28/1067143428.db2.gz RFFBGBIYBDXEQL-UHFFFAOYSA-N 0 0 457.299 4.983 20 0 JJADRN CCc1ccc(OCc2nnc(SC[C@H]3CCN(C)C3=O)n2[C@H](C)c2ccccc2)cc1 ZINC001458780628 1067143485 /nfs/dbraw/zinc/14/34/85/1067143485.db2.gz IQQAEAKNRSOGOO-WIYYLYMNSA-N 0 0 450.608 4.599 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@H](C)c3ncc(C)s3)cc2Br)no1 ZINC001458781507 1067144122 /nfs/dbraw/zinc/14/41/22/1067144122.db2.gz ILAUZCSYZVRZCV-NSHDSACASA-N 0 0 450.358 4.623 20 0 JJADRN COC(=O)C1=C(C)O[C@@H](CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)C1 ZINC001458782693 1067144727 /nfs/dbraw/zinc/14/47/27/1067144727.db2.gz YRQURNICIAAXPG-LJQANCHMSA-N 0 0 455.967 4.975 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)cc2)c(C)c1C ZINC001451085526 1067145159 /nfs/dbraw/zinc/14/51/59/1067145159.db2.gz JLHVUMBTDFAHJU-ZRZAMGCNSA-N 0 0 458.624 4.715 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)c3noc(C(F)F)n3)cc12 ZINC001451084199 1067145405 /nfs/dbraw/zinc/14/54/05/1067145405.db2.gz KVGRQDOHYBVBLU-JTQLQIEISA-N 0 0 451.886 4.920 20 0 JJADRN C[C@@H](CNC(=O)c1csc(I)c1Br)c1ccccc1 ZINC001458784638 1067145964 /nfs/dbraw/zinc/14/59/64/1067145964.db2.gz XBSTTZIUYGPRAZ-VIFPVBQESA-N 0 0 450.139 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 ZINC001451104518 1067146708 /nfs/dbraw/zinc/14/67/08/1067146708.db2.gz GAXXYKJEOQKNHL-FUHWJXTLSA-N 0 0 455.521 4.671 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)[C@]12CCCO2 ZINC001458788446 1067147906 /nfs/dbraw/zinc/14/79/06/1067147906.db2.gz ZIRFRGSEYXKDOR-JROBLHLSSA-N 0 0 450.362 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 ZINC001451124013 1067148157 /nfs/dbraw/zinc/14/81/57/1067148157.db2.gz OZGGNSGJACEUPH-APWZRJJASA-N 0 0 458.530 4.574 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c2c(n1)onc2C(C)C ZINC001451131713 1067148756 /nfs/dbraw/zinc/14/87/56/1067148756.db2.gz IKNVVYIUMLTXNB-LZLYRXPVSA-N 0 0 456.587 4.674 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)cc1 ZINC001458794471 1067149240 /nfs/dbraw/zinc/14/92/40/1067149240.db2.gz VOUWCFFUMOWPAC-HXUWFJFHSA-N 0 0 456.587 4.751 20 0 JJADRN CCOC(=O)c1c(C)n[nH]c1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC001458794783 1067149278 /nfs/dbraw/zinc/14/92/78/1067149278.db2.gz RUAWJTQYKDTYLF-UHFFFAOYSA-N 0 0 454.939 4.540 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCc3cccc(Cl)c3C2)cc1OC ZINC001451140807 1067149266 /nfs/dbraw/zinc/14/92/66/1067149266.db2.gz DPDUHAXDMOBBCL-UHFFFAOYSA-N 0 0 450.922 4.808 20 0 JJADRN COC(=O)c1cnoc1CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C ZINC001458805691 1067150591 /nfs/dbraw/zinc/15/05/91/1067150591.db2.gz ADFUEXBRJATXNC-UHFFFAOYSA-N 0 0 455.923 4.723 20 0 JJADRN CCC[C@H](O)[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1Cl)CC2 ZINC001451149941 1067150638 /nfs/dbraw/zinc/15/06/38/1067150638.db2.gz HDHFNLIZLVFNEC-UOGXHXTNSA-N 0 0 450.966 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)CCOc3ccc(Cl)cc3Cl)C[C@H]2C1 ZINC001451150781 1067150647 /nfs/dbraw/zinc/15/06/47/1067150647.db2.gz YRHVLQWCKJFXRX-YQQAZPJKSA-N 0 0 457.398 4.914 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ncccc1OCc1ccccc1 ZINC001451165949 1067151284 /nfs/dbraw/zinc/15/12/84/1067151284.db2.gz CCGURTNDDXOUBX-UHFFFAOYSA-N 0 0 450.545 4.612 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001546028751 1067151343 /nfs/dbraw/zinc/15/13/43/1067151343.db2.gz MSVKKSJCWRWNKM-HFJWLAOPSA-N 0 0 459.521 4.929 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)c(OC)c1 ZINC001458812203 1067151868 /nfs/dbraw/zinc/15/18/68/1067151868.db2.gz OXTJHPAANSCOPP-MRXNPFEDSA-N 0 0 457.958 4.818 20 0 JJADRN COCCN(C(=O)c1oc2ccccc2c1Br)c1cccc(Br)n1 ZINC001458810521 1067151878 /nfs/dbraw/zinc/15/18/78/1067151878.db2.gz CGXHMQUBTKLTTL-UHFFFAOYSA-N 0 0 454.118 4.646 20 0 JJADRN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2)cc1SC ZINC001451170302 1067151895 /nfs/dbraw/zinc/15/18/95/1067151895.db2.gz VRBREIYUWNBEJK-UHFFFAOYSA-N 0 0 452.532 4.939 20 0 JJADRN COC1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1 ZINC001451176848 1067152021 /nfs/dbraw/zinc/15/20/21/1067152021.db2.gz BZUIXSPZMCFOGB-UHFFFAOYSA-N 0 0 458.624 4.781 20 0 JJADRN Cc1nc(C(=O)Nc2cc(C)c(Br)c(C)n2)nn1-c1c(Cl)cccc1Cl ZINC001458813188 1067152513 /nfs/dbraw/zinc/15/25/13/1067152513.db2.gz DXTKAOLRNZTFNJ-UHFFFAOYSA-N 0 0 455.143 4.909 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001451191670 1067152700 /nfs/dbraw/zinc/15/27/00/1067152700.db2.gz DYXSMSVLCHCXFS-AEFFLSMTSA-N 0 0 466.390 4.611 20 0 JJADRN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)cc3)o2)cc1 ZINC001546028979 1067152788 /nfs/dbraw/zinc/15/27/88/1067152788.db2.gz RTAWLHUVDFETRG-KRWDZBQOSA-N 0 0 450.539 4.603 20 0 JJADRN COC(=O)CNC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1c(C)cccc1C ZINC001458814438 1067153159 /nfs/dbraw/zinc/15/31/59/1067153159.db2.gz QMJIAXIPRIHEAJ-INIZCTEOSA-N 0 0 457.983 4.579 20 0 JJADRN COC(=O)CNC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1c(C)cccc1C ZINC001458814439 1067153300 /nfs/dbraw/zinc/15/33/00/1067153300.db2.gz QMJIAXIPRIHEAJ-MRXNPFEDSA-N 0 0 457.983 4.579 20 0 JJADRN COc1cccc([C@@H](OC(=O)Cc2noc3ccc(Br)cc23)c2ccncc2)c1 ZINC001458813237 1067153309 /nfs/dbraw/zinc/15/33/09/1067153309.db2.gz QIDFLHRNJCGTHV-QFIPXVFZSA-N 0 0 453.292 4.869 20 0 JJADRN O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N(CCCCc1ccccc1)c1ccccc1 ZINC001451194789 1067153374 /nfs/dbraw/zinc/15/33/74/1067153374.db2.gz UIBCUBPPOVIOJW-ZCYQVOJMSA-N 0 0 457.492 4.854 20 0 JJADRN CNC(=O)C1CCC(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001458815516 1067153570 /nfs/dbraw/zinc/15/35/70/1067153570.db2.gz RQPFPZWZLISNSJ-UHFFFAOYSA-N 0 0 454.423 4.816 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2c(-c3cccc(F)c3)n[nH]c2C2CC2)s1 ZINC001451229904 1067154522 /nfs/dbraw/zinc/15/45/22/1067154522.db2.gz LQVGRLOODQUGAD-UHFFFAOYSA-N 0 0 456.547 4.501 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001546029462 1067154614 /nfs/dbraw/zinc/15/46/14/1067154614.db2.gz FEMPBUFCHHHTSK-UHFFFAOYSA-N 0 0 469.533 4.617 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2nc(C(F)(F)F)no2)cc1 ZINC001458820193 1067155419 /nfs/dbraw/zinc/15/54/19/1067155419.db2.gz VSHIYVBKUWUQNN-UHFFFAOYSA-N 0 0 455.440 4.742 20 0 JJADRN COc1cccc([C@@H](OC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccncc2)c1 ZINC001458820422 1067155464 /nfs/dbraw/zinc/15/54/64/1067155464.db2.gz WRUBLXMXQNLBQK-OZXSUGGESA-N 0 0 458.558 4.892 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001458820638 1067155474 /nfs/dbraw/zinc/15/54/74/1067155474.db2.gz OENJPTAKEZWYRX-MHECFPHRSA-N 0 0 451.998 4.980 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001451246712 1067155531 /nfs/dbraw/zinc/15/55/31/1067155531.db2.gz HHTMAUPIYISRRA-JOCHJYFZSA-N 0 0 458.606 4.971 20 0 JJADRN CCOC(=O)c1sc2ncn(Cc3cc(Cl)c(C)cc3Br)c(=O)c2c1C ZINC001458822545 1067156494 /nfs/dbraw/zinc/15/64/94/1067156494.db2.gz HQNBCQDFWPLYBE-UHFFFAOYSA-N 0 0 455.761 4.716 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001458822726 1067156518 /nfs/dbraw/zinc/15/65/18/1067156518.db2.gz SVHLXGGUXOYUBR-FQEVSTJZSA-N 0 0 458.331 4.604 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001458824125 1067157184 /nfs/dbraw/zinc/15/71/84/1067157184.db2.gz NBEQVCCOVOZJIH-UHFFFAOYSA-N 0 0 456.283 4.849 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC001451290176 1067157872 /nfs/dbraw/zinc/15/78/72/1067157872.db2.gz IKGCCFVIVIQSSQ-BJKOFHAPSA-N 0 0 450.579 4.588 20 0 JJADRN Cc1cccc(-n2nnnc2SCc2cccc(OCC(F)(F)F)c2Br)c1 ZINC001458824207 1067158034 /nfs/dbraw/zinc/15/80/34/1067158034.db2.gz CKYDUTCIWHTGAR-UHFFFAOYSA-N 0 0 459.291 4.967 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001458824543 1067158059 /nfs/dbraw/zinc/15/80/59/1067158059.db2.gz XADPIESOECXCRB-NRFANRHFSA-N 0 0 459.468 4.644 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc4ccccc4o3)n2C)c1 ZINC001458825247 1067158439 /nfs/dbraw/zinc/15/84/39/1067158439.db2.gz CVFUPFBZYDUYDP-UHFFFAOYSA-N 0 0 456.593 4.551 20 0 JJADRN CCCCCn1nc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2ccccc2c1=O ZINC001451322511 1067159243 /nfs/dbraw/zinc/15/92/43/1067159243.db2.gz FOIJBOJLSOGUMQ-UHFFFAOYSA-N 0 0 453.533 4.960 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)C1 ZINC001451321777 1067159356 /nfs/dbraw/zinc/15/93/56/1067159356.db2.gz RXDJQVUYCCNZMR-UUDJQVRQSA-N 0 0 454.677 4.654 20 0 JJADRN CC(C)CCC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1nnnn1CC(F)(F)F ZINC001458826832 1067159786 /nfs/dbraw/zinc/15/97/86/1067159786.db2.gz PSXKQIYVHIGSQT-CQSZACIVSA-N 0 0 454.522 4.625 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCc1cc(Cl)ccc1F)n(Cc1ccco1)c2=O ZINC001458827500 1067160347 /nfs/dbraw/zinc/16/03/47/1067160347.db2.gz XWGYEOHRZQVOMU-UHFFFAOYSA-N 0 0 458.898 4.909 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCC[C@@]4(CCSC4)C3)ccc21 ZINC001451369433 1067161260 /nfs/dbraw/zinc/16/12/60/1067161260.db2.gz JGCDHJDOFDVMQQ-RUZDIDTESA-N 0 0 457.640 4.915 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001451358329 1067161278 /nfs/dbraw/zinc/16/12/78/1067161278.db2.gz FXRFJUXFQLOPSY-DYVFJYSZSA-N 0 0 465.488 4.612 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cnn1-c1ccc(F)cc1 ZINC001451379151 1067161656 /nfs/dbraw/zinc/16/16/56/1067161656.db2.gz OYTGJGSKTAMPLD-FCHUYYIVSA-N 0 0 474.502 4.895 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N[C@@H]1C[C@H]1c1ccco1 ZINC001451377403 1067161830 /nfs/dbraw/zinc/16/18/30/1067161830.db2.gz YXHARSQJBXRJMJ-VQIMIIECSA-N 0 0 465.358 4.602 20 0 JJADRN COC(=O)c1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccc2OC)cs1 ZINC001458833687 1067161823 /nfs/dbraw/zinc/16/18/23/1067161823.db2.gz FZTVTVYXLSNOQE-UHFFFAOYSA-N 0 0 452.557 4.843 20 0 JJADRN CC(C)c1ccc(-n2ccnc2S[C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 ZINC001458832340 1067161836 /nfs/dbraw/zinc/16/18/36/1067161836.db2.gz CMGHIVJCWSVBBH-RXVVDRJESA-N 0 0 451.592 4.775 20 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CCC(CC)c1cc(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC[C@@H](C(=O)NC)C2)on1 ZINC001545822281 1067163622 /nfs/dbraw/zinc/16/36/22/1067163622.db2.gz YPTFBYNCRVSYEK-FYYLOGMGSA-N 0 0 478.641 4.722 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC[C@@H](C(=O)NC)C2)on1 ZINC001545822282 1067163691 /nfs/dbraw/zinc/16/36/91/1067163691.db2.gz YPTFBYNCRVSYEK-GGAORHGYSA-N 0 0 478.641 4.722 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C)C2)on1 ZINC001545822232 1067163704 /nfs/dbraw/zinc/16/37/04/1067163704.db2.gz WUTHHBQPMZTNJL-IRXDYDNUSA-N 0 0 457.550 4.722 20 0 JJADRN CCc1cccc2c(CC(=O)N3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)c[nH]c21 ZINC001451391136 1067163722 /nfs/dbraw/zinc/16/37/22/1067163722.db2.gz NRNIOPZIWKWLLZ-XZOQPEGZSA-N 0 0 465.569 4.931 20 0 JJADRN C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451390364 1067163755 /nfs/dbraw/zinc/16/37/55/1067163755.db2.gz LZARDBZBVDMUBM-YFXJRYMSSA-N 0 0 456.558 4.750 20 0 JJADRN 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ZINC001545826996 1067177298 /nfs/dbraw/zinc/17/72/98/1067177298.db2.gz YORCVNKLLBSKLT-OAHLLOKOSA-N 0 0 461.582 4.976 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC001451548651 1067177817 /nfs/dbraw/zinc/17/78/17/1067177817.db2.gz IVAYBZPWEMJMOR-LLVKDONJSA-N 0 0 459.768 4.618 20 0 JJADRN CCC(O)(CC)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546031885 1067177873 /nfs/dbraw/zinc/17/78/73/1067177873.db2.gz XQVNMHAJFBJNMH-OALUTQOASA-N 0 0 496.656 4.717 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001451553046 1067177895 /nfs/dbraw/zinc/17/78/95/1067177895.db2.gz QBCJNLALNIKVPF-UHFFFAOYSA-N 0 0 451.995 4.796 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001545828315 1067178261 /nfs/dbraw/zinc/17/82/61/1067178261.db2.gz QQEDYFVHQCBCCA-AATLZSDMSA-N 0 0 455.647 4.987 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001545827996 1067178324 /nfs/dbraw/zinc/17/83/24/1067178324.db2.gz HPGABCNFLULEDA-SNCIUUNGSA-N 0 0 484.664 4.877 20 0 JJADRN O=C1NCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 ZINC001458865146 1067178394 /nfs/dbraw/zinc/17/83/94/1067178394.db2.gz ZVVDTQMFXMEOFI-MRXNPFEDSA-N 0 0 450.511 4.759 20 0 JJADRN C[C@H]1C[C@@H](O)CN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC001451557627 1067178399 /nfs/dbraw/zinc/17/83/99/1067178399.db2.gz OUUOMTRTQHQJEE-SUMWQHHRSA-N 0 0 453.391 4.567 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001451572277 1067178540 /nfs/dbraw/zinc/17/85/40/1067178540.db2.gz DXCZFQWRUXTCSW-LMMKCTJWSA-N 0 0 453.421 4.827 20 0 JJADRN CCCc1c(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cnn1-c1ccccc1 ZINC001458866259 1067179139 /nfs/dbraw/zinc/17/91/39/1067179139.db2.gz XRWWUZWLLRGGMV-QGZVFWFLSA-N 0 0 453.340 4.652 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001451577273 1067179228 /nfs/dbraw/zinc/17/92/28/1067179228.db2.gz OOHXEWDVUMTVCM-AZUAARDMSA-N 0 0 451.567 4.671 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC001451572659 1067179242 /nfs/dbraw/zinc/17/92/42/1067179242.db2.gz GCUSKKBXNLYDBW-MJGOQNOKSA-N 0 0 453.421 4.972 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC001451576104 1067179250 /nfs/dbraw/zinc/17/92/50/1067179250.db2.gz MNHAIKBGUANLMX-ZBFHGGJFSA-N 0 0 457.434 4.741 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001451577275 1067179262 /nfs/dbraw/zinc/17/92/62/1067179262.db2.gz OOHXEWDVUMTVCM-ICSRJNTNSA-N 0 0 451.567 4.671 20 0 JJADRN CCNc1nc(SCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)nc2ccccc21 ZINC001458869095 1067179611 /nfs/dbraw/zinc/17/96/11/1067179611.db2.gz VCJUXCFZZLVDCS-UHFFFAOYSA-N 0 0 459.575 4.839 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001451577400 1067179655 /nfs/dbraw/zinc/17/96/55/1067179655.db2.gz QCKRMWZSZOTDGL-YLJYHZDGSA-N 0 0 456.587 4.602 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001451577396 1067179782 /nfs/dbraw/zinc/17/97/82/1067179782.db2.gz QCKRMWZSZOTDGL-PXNSSMCTSA-N 0 0 456.587 4.602 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CC1CC(C)(C)C1 ZINC001545829590 1067179736 /nfs/dbraw/zinc/17/97/36/1067179736.db2.gz AXYXEEKRFQLLLO-HSZRJFAPSA-N 0 0 466.674 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1Cc1c(C)coc1C ZINC001545829571 1067179747 /nfs/dbraw/zinc/17/97/47/1067179747.db2.gz AKFQHBJEBYEOPT-HSZRJFAPSA-N 0 0 478.641 4.560 20 0 JJADRN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545829104 1067179884 /nfs/dbraw/zinc/17/98/84/1067179884.db2.gz OJCWOEPEHYRGSV-UTKZUKDTSA-N 0 0 454.368 4.535 20 0 JJADRN C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001458870057 1067180343 /nfs/dbraw/zinc/18/03/43/1067180343.db2.gz BOAQEDJKVIRSJX-CYBMUJFWSA-N 0 0 454.556 4.799 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)c2cc(Br)c(Br)[nH]2)c1 ZINC001451586466 1067180450 /nfs/dbraw/zinc/18/04/50/1067180450.db2.gz JXGTXOVMUIRPDG-UHFFFAOYSA-N 0 0 450.956 4.541 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCc1sccc1C ZINC001545829916 1067180521 /nfs/dbraw/zinc/18/05/21/1067180521.db2.gz JNQWYTSAWUHUEB-OAQYLSRUSA-N 0 0 451.640 4.933 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC001458871363 1067180883 /nfs/dbraw/zinc/18/08/83/1067180883.db2.gz HENFROCKQSDHQA-KRWDZBQOSA-N 0 0 450.033 4.936 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1Cc1ccccc1OC(F)F ZINC001545830169 1067180870 /nfs/dbraw/zinc/18/08/70/1067180870.db2.gz ONDXCPGWPJRZSX-APWZRJJASA-N 0 0 463.573 4.861 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545830187 1067181007 /nfs/dbraw/zinc/18/10/07/1067181007.db2.gz OPBYSDLPHWCVOK-HHXXYDBFSA-N 0 0 495.594 4.737 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C1 ZINC001451636172 1067181171 /nfs/dbraw/zinc/18/11/71/1067181171.db2.gz FXWYPGATRUXWJU-AWEZNQCLSA-N 0 0 453.370 4.548 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001451614412 1067181193 /nfs/dbraw/zinc/18/11/93/1067181193.db2.gz GKYLOOONYDKMQW-UHFFFAOYSA-N 0 0 456.384 4.904 20 0 JJADRN C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N1CCN(c2ccccn2)CC1 ZINC001458874731 1067181640 /nfs/dbraw/zinc/18/16/40/1067181640.db2.gz IWKZFIJDPDSXPV-ZDUSSCGKSA-N 0 0 452.527 4.540 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001458872983 1067181762 /nfs/dbraw/zinc/18/17/62/1067181762.db2.gz DKWXZPYKFCEINH-ZVDOUQERSA-N 0 0 452.636 4.821 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001451640330 1067181778 /nfs/dbraw/zinc/18/17/78/1067181778.db2.gz KAJWSZHSQUKDNX-AZUAARDMSA-N 0 0 454.652 4.922 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001451640356 1067181844 /nfs/dbraw/zinc/18/18/44/1067181844.db2.gz KAJWSZHSQUKDNX-QUCCMNQESA-N 0 0 454.652 4.922 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001546033004 1067182408 /nfs/dbraw/zinc/18/24/08/1067182408.db2.gz KFDFSTXXWAKNEM-WCRBZPEASA-N 0 0 475.678 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C1CC(C(C)(C)C)C1 ZINC001545832763 1067183022 /nfs/dbraw/zinc/18/30/22/1067183022.db2.gz ZNMIQMCKFZKNNL-UHFFFAOYSA-N 0 0 482.673 4.885 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)C1 ZINC001451652464 1067183038 /nfs/dbraw/zinc/18/30/38/1067183038.db2.gz NBJRYFMBTAUUFE-IFMALSPDSA-N 0 0 458.599 4.538 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CC(c4ccccc4)(C(C)C)C3)cc2)c1 ZINC001451652837 1067183149 /nfs/dbraw/zinc/18/31/49/1067183149.db2.gz IFNULIBOQUZXGO-UHFFFAOYSA-N 0 0 458.558 4.763 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC001458876997 1067183227 /nfs/dbraw/zinc/18/32/27/1067183227.db2.gz QPTSJXXARMYAIE-UHFFFAOYSA-N 0 0 454.250 4.955 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001545833534 1067183691 /nfs/dbraw/zinc/18/36/91/1067183691.db2.gz ASAUITZIYIWHBL-UHFFFAOYSA-N 0 0 494.493 4.570 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)CC1=O ZINC001451657223 1067183734 /nfs/dbraw/zinc/18/37/34/1067183734.db2.gz WMVTZUWLAHBDJQ-PWRODBHTSA-N 0 0 456.627 4.914 20 0 JJADRN COc1nscc1CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 ZINC001458877781 1067183789 /nfs/dbraw/zinc/18/37/89/1067183789.db2.gz VRZVMUIPDRDFFX-NDENLUEZSA-N 0 0 451.573 4.833 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)cc2C1 ZINC001458877270 1067183821 /nfs/dbraw/zinc/18/38/21/1067183821.db2.gz PNPZNHROGUQTKN-QFIPXVFZSA-N 0 0 452.620 4.841 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001451658934 1067184495 /nfs/dbraw/zinc/18/44/95/1067184495.db2.gz GKZBOGCQZWFGGR-SMDDNHRTSA-N 0 0 458.702 4.732 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)no1 ZINC001458880101 1067184986 /nfs/dbraw/zinc/18/49/86/1067184986.db2.gz PVVYCOFGMWKRCR-UHFFFAOYSA-N 0 0 453.495 4.506 20 0 JJADRN O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001458880982 1067185029 /nfs/dbraw/zinc/18/50/29/1067185029.db2.gz WTSDMKNAVUFWNN-HNNXBMFYSA-N 0 0 457.786 4.745 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@H]1COc2ccccc21 ZINC001545834958 1067185354 /nfs/dbraw/zinc/18/53/54/1067185354.db2.gz GZQUBXFQOVOOFZ-HNNXBMFYSA-N 0 0 474.030 4.724 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@H]1CCC[C@@H]1C ZINC001545835073 1067185977 /nfs/dbraw/zinc/18/59/77/1067185977.db2.gz KMFJWEQLKAKADV-GOEBONIOSA-N 0 0 451.537 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545834994 1067186051 /nfs/dbraw/zinc/18/60/51/1067186051.db2.gz ICLLBIBDXMBMIP-GOSISDBHSA-N 0 0 469.033 4.993 20 0 JJADRN COc1ccc(Oc2ccc(COC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)cc2)cc1 ZINC001458883203 1067186135 /nfs/dbraw/zinc/18/61/35/1067186135.db2.gz WFXMBJFPGIKSFG-AREMUKBSSA-N 0 0 458.514 4.759 20 0 JJADRN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC001451687511 1067186406 /nfs/dbraw/zinc/18/64/06/1067186406.db2.gz GRVDJNPANYMPRW-KGLIPLIRSA-N 0 0 456.808 4.960 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC(C)(C)c1ccccc1F ZINC001545835222 1067186456 /nfs/dbraw/zinc/18/64/56/1067186456.db2.gz PAMYYIFAUVDMNM-UHFFFAOYSA-N 0 0 487.023 4.998 20 0 JJADRN Cc1ccc(Nc2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)s2)cc1Cl ZINC001458885256 1067186603 /nfs/dbraw/zinc/18/66/03/1067186603.db2.gz XWXBLHXEGMZRLE-UHFFFAOYSA-N 0 0 455.030 4.786 20 0 JJADRN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 ZINC001458885548 1067186610 /nfs/dbraw/zinc/18/66/10/1067186610.db2.gz DRGPVTUUGMBQNB-CQSZACIVSA-N 0 0 459.612 4.672 20 0 JJADRN CCOC(=O)C1=C(COc2ccccc2C(F)(F)F)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001458886206 1067186639 /nfs/dbraw/zinc/18/66/39/1067186639.db2.gz CAYBESGTQLSYJH-GOSISDBHSA-N 0 0 454.832 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)COc1ccccc1Cc1ccccc1)CC2 ZINC001451696639 1067187047 /nfs/dbraw/zinc/18/70/47/1067187047.db2.gz CPCXFPPVYXYHJR-UHFFFAOYSA-N 0 0 450.579 4.658 20 0 JJADRN O=C(c1c(F)ccc(I)c1Cl)N1CCc2cc(Cl)ccc2C1 ZINC001458888504 1067187307 /nfs/dbraw/zinc/18/73/07/1067187307.db2.gz VBPQRGCJJAZUKL-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c2c1C ZINC001451715466 1067187622 /nfs/dbraw/zinc/18/76/22/1067187622.db2.gz XQYBAIDCVXFJQK-UHFFFAOYSA-N 0 0 452.646 4.600 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)Nc1cccc(O)c1F ZINC001545835569 1067187703 /nfs/dbraw/zinc/18/77/03/1067187703.db2.gz DUEXTVOXYKGCAC-UHFFFAOYSA-N 0 0 456.449 4.788 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N1CCC(OC)(C(F)(F)F)CC1)OCC3 ZINC001451700777 1067187733 /nfs/dbraw/zinc/18/77/33/1067187733.db2.gz VQIBFGUQBGROOJ-JOCHJYFZSA-N 0 0 452.517 4.868 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001545836040 1067188386 /nfs/dbraw/zinc/18/83/86/1067188386.db2.gz YWLODUIACITPFF-QIJUGHKUSA-N 0 0 458.599 4.733 20 0 JJADRN CCn1c(S[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nnc1-c1cccc(Cl)c1 ZINC001458893830 1067188511 /nfs/dbraw/zinc/18/85/11/1067188511.db2.gz MIWHKBMBNPBEFC-LJQANCHMSA-N 0 0 458.971 4.533 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1F ZINC001458895857 1067188857 /nfs/dbraw/zinc/18/88/57/1067188857.db2.gz TTXAZWQAZNZSAY-JQIJEIRASA-N 0 0 451.498 4.702 20 0 JJADRN CCN(C(=O)CSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C1CCCCC1 ZINC001458896749 1067188865 /nfs/dbraw/zinc/18/88/65/1067188865.db2.gz YNLYCRBFYXWMHW-RTBURBONSA-N 0 0 459.660 4.675 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001451727792 1067188948 /nfs/dbraw/zinc/18/89/48/1067188948.db2.gz CWHDZFRSMNYEQE-LJQANCHMSA-N 0 0 450.373 4.633 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Br ZINC001451735099 1067189702 /nfs/dbraw/zinc/18/97/02/1067189702.db2.gz HMYHACDFUUFYKE-XLIONFOSSA-N 0 0 455.318 4.876 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1Cc1ccccc1Br ZINC001451735098 1067189717 /nfs/dbraw/zinc/18/97/17/1067189717.db2.gz HMYHACDFUUFYKE-PXNSSMCTSA-N 0 0 455.318 4.876 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001451734690 1067189782 /nfs/dbraw/zinc/18/97/82/1067189782.db2.gz VBASPKIMHUYCNK-OAHLLOKOSA-N 0 0 453.370 4.596 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001451739377 1067190100 /nfs/dbraw/zinc/19/01/00/1067190100.db2.gz ITFGHAKSBKNHTF-CRAIPNDOSA-N 0 0 475.586 4.966 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CCCN1C(=O)OC(C)(C)C ZINC001451739184 1067190174 /nfs/dbraw/zinc/19/01/74/1067190174.db2.gz NSDZHPVPCQWHIA-CZUORRHYSA-N 0 0 453.461 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnc(C)s2)n1Cc1oc2ccccc2c1C ZINC001545837437 1067190825 /nfs/dbraw/zinc/19/08/25/1067190825.db2.gz COHBQYHNOPJROY-UHFFFAOYSA-N 0 0 466.611 4.701 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@H]1CCSC1(C)C ZINC001545836772 1067190927 /nfs/dbraw/zinc/19/09/27/1067190927.db2.gz YUMQRDXAGADBHM-MRXNPFEDSA-N 0 0 465.614 4.643 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC001451743334 1067190910 /nfs/dbraw/zinc/19/09/10/1067190910.db2.gz ZSGSBVSNGQNQCO-QRQLOZEOSA-N 0 0 465.432 4.876 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451741850 1067191013 /nfs/dbraw/zinc/19/10/13/1067191013.db2.gz OQOPOKPBVQPWAP-UKAVVXHISA-N 0 0 475.630 4.793 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)C1 ZINC001451743302 1067191016 /nfs/dbraw/zinc/19/10/16/1067191016.db2.gz ZNSSGEXJSIEFCS-LXPRWKDFSA-N 0 0 451.405 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC001546033645 1067191337 /nfs/dbraw/zinc/19/13/37/1067191337.db2.gz CKYRPWLCFKQEKC-RPWUZVMVSA-N 0 0 451.611 4.921 20 0 JJADRN Cc1cc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)ccc1N1CCOCC1 ZINC001458904414 1067191395 /nfs/dbraw/zinc/19/13/95/1067191395.db2.gz CRVLBPRFVSPRCX-UHFFFAOYSA-N 0 0 450.333 4.595 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2SC)n1C[C@H]1CCCCS1 ZINC001545837755 1067191366 /nfs/dbraw/zinc/19/13/66/1067191366.db2.gz PCZDDFOOUZXHCJ-LJQANCHMSA-N 0 0 461.701 4.841 20 0 JJADRN COC(=O)[C@H](Sc1nncn1-c1cccc(NC(C)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC001458904422 1067191444 /nfs/dbraw/zinc/19/14/44/1067191444.db2.gz WBEPHTYGGPETIM-QGZVFWFLSA-N 0 0 451.335 4.539 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C/c1cc(C)c(C)cc1C)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904685 1067192117 /nfs/dbraw/zinc/19/21/17/1067192117.db2.gz NMSARXJCZYUEHX-FQFCXHBISA-N 0 0 459.590 4.907 20 0 JJADRN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccnc(Cl)c1I ZINC001451796411 1067192151 /nfs/dbraw/zinc/19/21/51/1067192151.db2.gz KIVLIDFFMGNUAF-GOSISDBHSA-N 0 0 458.702 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1nc2cc(F)c(Br)cc2s1 ZINC001458907626 1067192558 /nfs/dbraw/zinc/19/25/58/1067192558.db2.gz KAGBVWKDMCTNET-CYBMUJFWSA-N 0 0 458.353 4.782 20 0 JJADRN CC[C@@H]1CN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451803994 1067192670 /nfs/dbraw/zinc/19/26/70/1067192670.db2.gz IOTVGJQVNNXUNE-BGYRXZFFSA-N 0 0 450.579 4.673 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545838955 1067192653 /nfs/dbraw/zinc/19/26/53/1067192653.db2.gz JZTODRCREFAMKK-DLBZAZTESA-N 0 0 454.644 4.879 20 0 JJADRN COC(=O)c1ccc(OCCOc2ccccc2C(=O)OC(C)(C)C)c(Br)c1 ZINC001458907997 1067193039 /nfs/dbraw/zinc/19/30/39/1067193039.db2.gz QPMKKPSWVNZMCH-UHFFFAOYSA-N 0 0 451.313 4.649 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001458908129 1067193149 /nfs/dbraw/zinc/19/31/49/1067193149.db2.gz LKLYYWHJJILQKG-QMHKHESXSA-N 0 0 450.362 4.928 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001458910664 1067193687 /nfs/dbraw/zinc/19/36/87/1067193687.db2.gz ODQQHCQJOBAIFN-AREMUKBSSA-N 0 0 450.510 4.580 20 0 JJADRN COc1ccc(Br)c(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c1 ZINC001458909646 1067193711 /nfs/dbraw/zinc/19/37/11/1067193711.db2.gz WEHSZUWJCBOAST-UHFFFAOYSA-N 0 0 458.646 4.849 20 0 JJADRN C[C@H](c1ccccc1)n1c(SCC(=O)N2C[C@H](C)OC(C)(C)C2)nnc1-c1ccccc1 ZINC001458909436 1067193719 /nfs/dbraw/zinc/19/37/19/1067193719.db2.gz FTFSJPZXDWRHRI-RBUKOAKNSA-N 0 0 450.608 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1cc(Cl)ccc1OC ZINC001545840795 1067193859 /nfs/dbraw/zinc/19/38/59/1067193859.db2.gz NNNRXRHHXYPLSS-KRWDZBQOSA-N 0 0 460.022 4.699 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1(c2ccccc2)CCOCC1 ZINC001545840668 1067193920 /nfs/dbraw/zinc/19/39/20/1067193920.db2.gz JVNJZKQAEMQWJZ-JOCHJYFZSA-N 0 0 479.669 4.737 20 0 JJADRN FC(F)(F)[C@@H]1CC[C@@H](COc2c(I)cc(Cl)c3cccnc32)O1 ZINC001458911277 1067194182 /nfs/dbraw/zinc/19/41/82/1067194182.db2.gz NWSZCIBWOXEYMD-UFBFGSQYSA-N 0 0 457.617 4.982 20 0 JJADRN COC(=O)c1nc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)sc1C1CC1 ZINC001458911978 1067194222 /nfs/dbraw/zinc/19/42/22/1067194222.db2.gz GOMUZPXLKXGUOV-UHFFFAOYSA-N 0 0 455.761 4.893 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2s1)c1ccn(-c2c(F)cccc2F)n1 ZINC001458911398 1067194241 /nfs/dbraw/zinc/19/42/41/1067194241.db2.gz OUSGELAJLMUULS-UHFFFAOYSA-N 0 0 453.243 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545842010 1067194431 /nfs/dbraw/zinc/19/44/31/1067194431.db2.gz IBZPTXUOVFFHKB-PKOBYXMFSA-N 0 0 473.584 4.743 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1csc(-c2ccccc2OC)n1 ZINC001458914132 1067194803 /nfs/dbraw/zinc/19/48/03/1067194803.db2.gz UZAGPMLABADSKL-RUZDIDTESA-N 0 0 450.560 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545842500 1067195100 /nfs/dbraw/zinc/19/51/00/1067195100.db2.gz ZYYKRURIXOTPFI-OPVJXMOQSA-N 0 0 476.065 4.732 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1SCCc2ccccc21 ZINC001545842042 1067195129 /nfs/dbraw/zinc/19/51/29/1067195129.db2.gz JKUNDOGWVBZYSS-JOCHJYFZSA-N 0 0 483.707 4.968 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC001451861458 1067195145 /nfs/dbraw/zinc/19/51/45/1067195145.db2.gz VTFNKPDJZLJQBG-OAQYLSRUSA-N 0 0 450.608 4.597 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c1)NC1CC1 ZINC001451870648 1067195228 /nfs/dbraw/zinc/19/52/28/1067195228.db2.gz GRWWXIPLSIKUFD-NRFANRHFSA-N 0 0 456.384 4.970 20 0 JJADRN C[C@H](NC(=O)COc1ccccc1I)c1ccc(Cl)c(Cl)c1 ZINC001458916045 1067195367 /nfs/dbraw/zinc/19/53/67/1067195367.db2.gz ZABYULVUGZFMLW-JTQLQIEISA-N 0 0 450.103 4.854 20 0 JJADRN Cc1nc2c3ccccc3nc(SCCC(=O)Nc3ccc(N(C)C(C)C)c(F)c3)n2n1 ZINC001458915841 1067195451 /nfs/dbraw/zinc/19/54/51/1067195451.db2.gz VWHXRUTVNXIDNU-UHFFFAOYSA-N 0 0 452.559 4.691 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@@H]2C)C1 ZINC001546104699 1067195950 /nfs/dbraw/zinc/19/59/50/1067195950.db2.gz GTJBXTQEPYXDNH-JKSUJKDBSA-N 0 0 450.425 4.725 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1nc2cc(F)c(Br)cc2s1)c1ccc(C)cc1 ZINC001458916282 1067195974 /nfs/dbraw/zinc/19/59/74/1067195974.db2.gz ZSZFOAVARVYJAX-HNNXBMFYSA-N 0 0 450.333 4.712 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001458916139 1067195994 /nfs/dbraw/zinc/19/59/94/1067195994.db2.gz ZEELVUWSENLCRZ-MUUNZHRXSA-N 0 0 456.542 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@H]1COc2ccccc21 ZINC001545844143 1067196224 /nfs/dbraw/zinc/19/62/24/1067196224.db2.gz UBZDXVZTKMTUSH-AZUAARDMSA-N 0 0 453.631 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001545844229 1067196258 /nfs/dbraw/zinc/19/62/58/1067196258.db2.gz XPESGIPOXJXXMV-NQIIRXRSSA-N 0 0 490.693 4.611 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 ZINC001458917085 1067196457 /nfs/dbraw/zinc/19/64/57/1067196457.db2.gz YXEDBXGAAAXDDC-UHFFFAOYSA-N 0 0 456.593 4.731 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)c1 ZINC001458918770 1067196594 /nfs/dbraw/zinc/19/65/94/1067196594.db2.gz XGEKEUFSTODVQO-SANMLTNESA-N 0 0 458.558 4.991 20 0 JJADRN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001545845055 1067196769 /nfs/dbraw/zinc/19/67/69/1067196769.db2.gz VPDWPZNHNGRBHL-CVDCTZTESA-N 0 0 455.599 4.507 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001458918885 1067197206 /nfs/dbraw/zinc/19/72/06/1067197206.db2.gz VYZBHQZEQRDEOP-UHFFFAOYSA-N 0 0 452.743 4.610 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001451901713 1067197214 /nfs/dbraw/zinc/19/72/14/1067197214.db2.gz UGFVYTJMFJXQFB-NHCUHLMSSA-N 0 0 479.556 4.639 20 0 JJADRN C[C@@H]1CCN(C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001451908536 1067197244 /nfs/dbraw/zinc/19/72/44/1067197244.db2.gz MFXIGPATMQKDBZ-SJBKTWHCSA-N 0 0 475.630 4.623 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NCC2(c3cccc(F)c3F)CCCC2)c1 ZINC001458919149 1067197239 /nfs/dbraw/zinc/19/72/39/1067197239.db2.gz IMESNTNFUUDBNH-UHFFFAOYSA-N 0 0 454.311 4.986 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001451903285 1067197310 /nfs/dbraw/zinc/19/73/10/1067197310.db2.gz WBNJLPKTUDZZGZ-QZTJIDSGSA-N 0 0 462.978 4.665 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC001451907918 1067197319 /nfs/dbraw/zinc/19/73/19/1067197319.db2.gz CHSHNERLYJERBM-GOSISDBHSA-N 0 0 454.739 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccccc2C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001545845526 1067197325 /nfs/dbraw/zinc/19/73/25/1067197325.db2.gz JJUHJMAHSZEZNV-UHFFFAOYSA-N 0 0 488.558 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(Cl)s2)n1C[C@H]1CCOC[C@H]1C ZINC001545845563 1067197408 /nfs/dbraw/zinc/19/74/08/1067197408.db2.gz KLTGQZLVUBGJJS-HZPDHXFCSA-N 0 0 468.067 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545845474 1067197417 /nfs/dbraw/zinc/19/74/17/1067197417.db2.gz HUTGYXWSIZXOPO-BCDXTJNWSA-N 0 0 459.660 4.631 20 0 JJADRN COc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c(Br)cc1Br ZINC001458921387 1067197741 /nfs/dbraw/zinc/19/77/41/1067197741.db2.gz LPCVCNYTOKVOLE-VHSXEESVSA-N 0 0 463.166 4.527 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546104758 1067198386 /nfs/dbraw/zinc/19/83/86/1067198386.db2.gz IHZPUQNRWRPJTE-HDICACEKSA-N 0 0 493.494 4.552 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2nc(C)cs2)C1 ZINC001546104780 1067198859 /nfs/dbraw/zinc/19/88/59/1067198859.db2.gz IZRDZRMUINEKOJ-HOYKHHGWSA-N 0 0 461.676 4.904 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c1 ZINC001451933475 1067199176 /nfs/dbraw/zinc/19/91/76/1067199176.db2.gz ICIWPHCUKZFQKY-QFIPXVFZSA-N 0 0 451.567 4.639 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C[C@@H](C)n2cc(Br)cn2)c1 ZINC001451935003 1067200139 /nfs/dbraw/zinc/20/01/39/1067200139.db2.gz LUJSCPXJLDTFOU-CQSZACIVSA-N 0 0 451.365 4.569 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451943298 1067200714 /nfs/dbraw/zinc/20/07/14/1067200714.db2.gz IEUJCVJUCGOHLM-RTWAWAEBSA-N 0 0 453.583 4.856 20 0 JJADRN CC[C@]1(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001458933287 1067201090 /nfs/dbraw/zinc/20/10/90/1067201090.db2.gz RCBWIUUGLAMEEG-KOSHJBKYSA-N 0 0 456.612 4.982 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC001458934227 1067201627 /nfs/dbraw/zinc/20/16/27/1067201627.db2.gz WWTJVPSPDMMPAQ-NHCUHLMSSA-N 0 0 452.555 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545848902 1067201559 /nfs/dbraw/zinc/20/15/59/1067201559.db2.gz HUQINWGWNAWBDV-QZTJIDSGSA-N 0 0 466.655 4.851 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001451988023 1067202475 /nfs/dbraw/zinc/20/24/75/1067202475.db2.gz IAMIPXIUDHXACZ-KOSHJBKYSA-N 0 0 459.587 4.933 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001451988010 1067202509 /nfs/dbraw/zinc/20/25/09/1067202509.db2.gz IAMIPXIUDHXACZ-HOYKHHGWSA-N 0 0 459.587 4.933 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001451994243 1067203000 /nfs/dbraw/zinc/20/30/00/1067203000.db2.gz KPMKRAXLUIIVBF-AOYPEHQESA-N 0 0 451.998 4.777 20 0 JJADRN C[C@@]1(c2ccc(Br)s2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC001458941263 1067203313 /nfs/dbraw/zinc/20/33/13/1067203313.db2.gz KYQBDONCIBUBGF-SFHVURJKSA-N 0 0 454.415 4.982 20 0 JJADRN Cc1c(C(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)cnn1-c1cccc(C)c1 ZINC001452020651 1067203720 /nfs/dbraw/zinc/20/37/20/1067203720.db2.gz USWIRDDUOPKICZ-IBGZPJMESA-N 0 0 452.599 4.741 20 0 JJADRN COc1ccc(OCCS[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC001458940459 1067203864 /nfs/dbraw/zinc/20/38/64/1067203864.db2.gz ZCFSUGXFFUUHSI-DEOSSOPVSA-N 0 0 451.544 4.594 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCOc1cccc(C)c1 ZINC001545849879 1067204178 /nfs/dbraw/zinc/20/41/78/1067204178.db2.gz WEJHUGRSZWGNSL-AJSBUHFISA-N 0 0 453.631 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CCOc1cccc(C)c1 ZINC001545849882 1067204616 /nfs/dbraw/zinc/20/46/16/1067204616.db2.gz WEJHUGRSZWGNSL-WWPVKYPJSA-N 0 0 453.631 4.599 20 0 JJADRN C[C@H]1CC2(CN1C(=O)CCc1cccc(OC(F)F)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452037237 1067204659 /nfs/dbraw/zinc/20/46/59/1067204659.db2.gz YHUSKQQOXKTDAK-KRWDZBQOSA-N 0 0 452.542 4.859 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545850014 1067204788 /nfs/dbraw/zinc/20/47/88/1067204788.db2.gz YAVVIESPVJIFRM-XMSQKQJNSA-N 0 0 492.624 4.715 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452030514 1067204904 /nfs/dbraw/zinc/20/49/04/1067204904.db2.gz MRRBCPOJLOVARA-SFHVURJKSA-N 0 0 456.562 4.572 20 0 JJADRN Cc1ccc(-c2nnc(SCCS(=O)(=O)c3cccc(Br)c3)o2)c(C)c1 ZINC001458948745 1067205277 /nfs/dbraw/zinc/20/52/77/1067205277.db2.gz MYTHYDQJQSCNPU-UHFFFAOYSA-N 0 0 453.383 4.682 20 0 JJADRN CCn1cc(C(=O)OCc2ccc(I)c(Cl)c2)c(C(F)(F)F)n1 ZINC001458948481 1067205291 /nfs/dbraw/zinc/20/52/91/1067205291.db2.gz IEERNCJVVJGROL-UHFFFAOYSA-N 0 0 458.605 4.537 20 0 JJADRN CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546035367 1067205391 /nfs/dbraw/zinc/20/53/91/1067205391.db2.gz QNQUWJDVQJERTO-MOPGFXCFSA-N 0 0 465.683 4.547 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC001452075467 1067205847 /nfs/dbraw/zinc/20/58/47/1067205847.db2.gz GFNYXBRIADMERJ-HRAATJIYSA-N 0 0 456.999 4.636 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2cc(Br)ccc2OC)cc1OC ZINC001458951476 1067206406 /nfs/dbraw/zinc/20/64/06/1067206406.db2.gz HPHRDGIXSFYZFB-CYBMUJFWSA-N 0 0 454.386 4.614 20 0 JJADRN CC(C)c1cnc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)n1C1CC1 ZINC001458951815 1067206986 /nfs/dbraw/zinc/20/69/86/1067206986.db2.gz AAPALVPPLMFTCL-MRXNPFEDSA-N 0 0 452.580 4.984 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001546035719 1067206954 /nfs/dbraw/zinc/20/69/54/1067206954.db2.gz XVLZRAZYVPLBKS-UXHICEINSA-N 0 0 487.645 4.531 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001546035721 1067207037 /nfs/dbraw/zinc/20/70/37/1067207037.db2.gz XVLZRAZYVPLBKS-WOJBJXKFSA-N 0 0 487.645 4.531 20 0 JJADRN CC[C@H](C)C[C@H](CO)NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001452094404 1067207109 /nfs/dbraw/zinc/20/71/09/1067207109.db2.gz HYAXAGGCVACXEY-HNAYVOBHSA-N 0 0 450.373 4.564 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)ccc1Br ZINC001458953975 1067207457 /nfs/dbraw/zinc/20/74/57/1067207457.db2.gz ARNQEIYWEIJKSA-JTQLQIEISA-N 0 0 453.312 4.940 20 0 JJADRN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2nc(-c3c(F)cccc3F)cs2)C1=O ZINC001458958774 1067208980 /nfs/dbraw/zinc/20/89/80/1067208980.db2.gz RQAHOWTXAXNKPZ-HXUWFJFHSA-N 0 0 451.857 4.848 20 0 JJADRN CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458959355 1067209075 /nfs/dbraw/zinc/20/90/75/1067209075.db2.gz GDJGOJSQJGAZJM-OAHLLOKOSA-N 0 0 454.876 4.591 20 0 JJADRN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001452144628 1067209363 /nfs/dbraw/zinc/20/93/63/1067209363.db2.gz IWUNIAAVCAXFLK-UHFFFAOYSA-N 0 0 453.461 4.559 20 0 JJADRN CC[C@H](C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)N(C)C(=O)OC(C)(C)C ZINC001452145471 1067209386 /nfs/dbraw/zinc/20/93/86/1067209386.db2.gz BJYRVCPJLVLNRO-GFCCVEGCSA-N 0 0 455.378 4.552 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC001458959879 1067209483 /nfs/dbraw/zinc/20/94/83/1067209483.db2.gz PPZLYKQVYNEDFI-FKIZINRSSA-N 0 0 459.320 4.765 20 0 JJADRN O=C(Nc1ccc(SCc2ccccc2)c(Br)c1)c1ccnc2[nH]c(=O)[nH]c21 ZINC001452147311 1067209458 /nfs/dbraw/zinc/20/94/58/1067209458.db2.gz ICQGTDWRQRRANN-UHFFFAOYSA-N 0 0 455.337 4.971 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452145418 1067209474 /nfs/dbraw/zinc/20/94/74/1067209474.db2.gz AZBHFBKXTBCFFZ-UHFFFAOYSA-N 0 0 455.378 4.600 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001458960074 1067209524 /nfs/dbraw/zinc/20/95/24/1067209524.db2.gz RUCZHSFJUKNCPY-UHFFFAOYSA-N 0 0 459.346 4.925 20 0 JJADRN CCc1ccc2ccccc2c1CN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C1=O ZINC001458960341 1067209538 /nfs/dbraw/zinc/20/95/38/1067209538.db2.gz PHISCDWMARVXQZ-NRFANRHFSA-N 0 0 453.336 4.966 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001452150639 1067209913 /nfs/dbraw/zinc/20/99/13/1067209913.db2.gz IUHUUJHPXQDDQC-ZNCVFPSASA-N 0 0 477.536 4.706 20 0 JJADRN CN(CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452151365 1067210026 /nfs/dbraw/zinc/21/00/26/1067210026.db2.gz XUWUZGCFGHTWPJ-KDURUIRLSA-N 0 0 450.579 4.720 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1(COC)CC1 ZINC001452150452 1067210059 /nfs/dbraw/zinc/21/00/59/1067210059.db2.gz VVJRSNLOWZFCOS-SANMLTNESA-N 0 0 450.579 4.627 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)c1C ZINC001452152233 1067210349 /nfs/dbraw/zinc/21/03/49/1067210349.db2.gz LZMDOBSTKSILBH-YUNKPMOVSA-N 0 0 454.468 4.713 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCNc1ccc2ccccc2n1 ZINC001452152902 1067210398 /nfs/dbraw/zinc/21/03/98/1067210398.db2.gz CCCHYYQMZSWGAC-UHFFFAOYSA-N 0 0 451.983 4.703 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)c1C ZINC001452152232 1067210510 /nfs/dbraw/zinc/21/05/10/1067210510.db2.gz LZMDOBSTKSILBH-ODXCJYRJSA-N 0 0 454.468 4.713 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)c1C ZINC001452152231 1067210593 /nfs/dbraw/zinc/21/05/93/1067210593.db2.gz LZMDOBSTKSILBH-MPBGBICISA-N 0 0 454.468 4.713 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC001546036242 1067210933 /nfs/dbraw/zinc/21/09/33/1067210933.db2.gz OQUOMITZMWAWLK-UHFFFAOYSA-N 0 0 451.592 4.643 20 0 JJADRN Cc1ccc2[nH]c(C(=O)NCCCN(C(=O)OC(C)(C)C)C3CC3)cc2c1Br ZINC001452159028 1067210969 /nfs/dbraw/zinc/21/09/69/1067210969.db2.gz KVGXWKFJGXFJOP-UHFFFAOYSA-N 0 0 450.377 4.758 20 0 JJADRN CC(C)[C@](C)(NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001458964029 1067211031 /nfs/dbraw/zinc/21/10/31/1067211031.db2.gz KYQOJVFJEOHSKX-OFNKIYASSA-N 0 0 459.384 4.868 20 0 JJADRN COc1cc(C(=O)NCCNc2ccc3ccccc3n2)cc(OC)c1OCc1ccccc1 ZINC001452164954 1067211482 /nfs/dbraw/zinc/21/14/82/1067211482.db2.gz XHQRNRXXDJQLDW-UHFFFAOYSA-N 0 0 457.530 4.673 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001458964292 1067211527 /nfs/dbraw/zinc/21/15/27/1067211527.db2.gz HSZCZHMRQVIVRH-HHHXNRCGSA-N 0 0 450.579 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001452165714 1067211559 /nfs/dbraw/zinc/21/15/59/1067211559.db2.gz SQKUTZJAZZFWAG-OAQYLSRUSA-N 0 0 451.567 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001452165705 1067211714 /nfs/dbraw/zinc/21/17/14/1067211714.db2.gz SQKUTZJAZZFWAG-NRFANRHFSA-N 0 0 451.567 4.591 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3cccc(Cl)c3n2C)C1 ZINC001546105206 1067211957 /nfs/dbraw/zinc/21/19/57/1067211957.db2.gz YXVZYAYMXJKMEJ-QGZVFWFLSA-N 0 0 475.037 4.607 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001546105190 1067211960 /nfs/dbraw/zinc/21/19/60/1067211960.db2.gz XXMHPOSPPVLDCE-RUZDIDTESA-N 0 0 478.584 4.692 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001546036562 1067211994 /nfs/dbraw/zinc/21/19/94/1067211994.db2.gz AFCUQIQDAWOUCR-OAQYLSRUSA-N 0 0 474.552 4.779 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)[C@@H]1CCc2cc(Br)ccc21 ZINC001452179247 1067212828 /nfs/dbraw/zinc/21/28/28/1067212828.db2.gz MCLCKHFHHNPGGC-QZTJIDSGSA-N 0 0 458.274 4.617 20 0 JJADRN Cc1cccc(C2(NC(=O)c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc3F)CCC2)c1 ZINC001452190630 1067213182 /nfs/dbraw/zinc/21/31/82/1067213182.db2.gz LZOOQKVCKRBFDT-UHFFFAOYSA-N 0 0 456.514 4.883 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1 ZINC001458971260 1067213628 /nfs/dbraw/zinc/21/36/28/1067213628.db2.gz AXGYFGXXEUKASL-HNNXBMFYSA-N 0 0 459.568 4.765 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccc2scnc2c1 ZINC001546105264 1067213772 /nfs/dbraw/zinc/21/37/72/1067213772.db2.gz AXXOVJNWLPUMOH-UHFFFAOYSA-N 0 0 459.936 4.708 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001452192403 1067213717 /nfs/dbraw/zinc/21/37/17/1067213717.db2.gz QDJNYORFQVTAEX-INIZCTEOSA-N 0 0 450.423 4.577 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001458974178 1067214252 /nfs/dbraw/zinc/21/42/52/1067214252.db2.gz NUSYSTORAAYTNP-FQEVSTJZSA-N 0 0 457.958 4.582 20 0 JJADRN Cc1ccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1S(=O)(=O)NC1CCCC1 ZINC001458974058 1067214393 /nfs/dbraw/zinc/21/43/93/1067214393.db2.gz QQAIQWHWSIJXRG-UHFFFAOYSA-N 0 0 459.568 4.731 20 0 JJADRN C[C@@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC001458975582 1067214724 /nfs/dbraw/zinc/21/47/24/1067214724.db2.gz DJCNUWZTYNEJCH-JKSUJKDBSA-N 0 0 451.983 4.886 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC001452226560 1067214817 /nfs/dbraw/zinc/21/48/17/1067214817.db2.gz IDOABNXHKHSWGS-ROUUACIJSA-N 0 0 456.587 4.601 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC001458975398 1067214881 /nfs/dbraw/zinc/21/48/81/1067214881.db2.gz CYWROATYNYKUED-QINSGFPZSA-N 0 0 458.543 4.687 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001452235868 1067215069 /nfs/dbraw/zinc/21/50/69/1067215069.db2.gz HPZNDLNCGZFLTC-LPHOPBHVSA-N 0 0 452.555 4.712 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452232040 1067215100 /nfs/dbraw/zinc/21/51/00/1067215100.db2.gz FSBUAEXIOCPWCW-KDOFPFPSSA-N 0 0 451.489 4.639 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC001458976462 1067215129 /nfs/dbraw/zinc/21/51/29/1067215129.db2.gz YPWZNJUKSYYDEK-CQSZACIVSA-N 0 0 457.347 4.534 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001452235859 1067215304 /nfs/dbraw/zinc/21/53/04/1067215304.db2.gz HPZNDLNCGZFLTC-APWZRJJASA-N 0 0 452.555 4.712 20 0 JJADRN CCOc1ccc(OC(=O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 ZINC001458976702 1067215322 /nfs/dbraw/zinc/21/53/22/1067215322.db2.gz IIPZQWUBFTZHFC-UHFFFAOYSA-N 0 0 453.495 4.822 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001452236978 1067215616 /nfs/dbraw/zinc/21/56/16/1067215616.db2.gz MVZLYRLEJSMMCV-OALUTQOASA-N 0 0 456.631 4.597 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452235885 1067215744 /nfs/dbraw/zinc/21/57/44/1067215744.db2.gz HPZNDLNCGZFLTC-VQIMIIECSA-N 0 0 452.555 4.712 20 0 JJADRN O=C(c1ccc(OC(F)F)c(Br)c1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001452246967 1067216332 /nfs/dbraw/zinc/21/63/32/1067216332.db2.gz NGFIMHXVJUWAAC-GOSISDBHSA-N 0 0 454.311 4.854 20 0 JJADRN COC(=O)c1ccc(Br)c(CSc2nnc(-c3cccc(Cl)c3)n2C)c1 ZINC001458979956 1067216732 /nfs/dbraw/zinc/21/67/32/1067216732.db2.gz RHMWNBCVCALBHQ-UHFFFAOYSA-N 0 0 452.761 4.977 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452260484 1067216661 /nfs/dbraw/zinc/21/66/61/1067216661.db2.gz YGHVSBIEFMMQPY-LIRRHRJNSA-N 0 0 451.489 4.639 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458980124 1067216756 /nfs/dbraw/zinc/21/67/56/1067216756.db2.gz XPUKGMCGUALUSH-RTWAWAEBSA-N 0 0 452.636 4.726 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N(C)[C@H](C)c1ccccc1OC ZINC001458980764 1067216775 /nfs/dbraw/zinc/21/67/75/1067216775.db2.gz VHAAWXYIUVXRGG-GOSISDBHSA-N 0 0 454.596 4.506 20 0 JJADRN Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105321 1067217772 /nfs/dbraw/zinc/21/77/72/1067217772.db2.gz DBIJMBXREFMSOU-MRXNPFEDSA-N 0 0 458.967 4.972 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cnn1C1CCCC1 ZINC001452272857 1067217831 /nfs/dbraw/zinc/21/78/31/1067217831.db2.gz GHYHILNCJLQGAP-HXUWFJFHSA-N 0 0 454.590 4.649 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452274292 1067217846 /nfs/dbraw/zinc/21/78/46/1067217846.db2.gz HPNIROQRTXRFJR-DLBZAZTESA-N 0 0 468.541 4.683 20 0 JJADRN O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1Cc1ccc(Cl)nc1Cl ZINC001458983608 1067218760 /nfs/dbraw/zinc/21/87/60/1067218760.db2.gz XEXWIWZMHCGNNP-UHFFFAOYSA-N 0 0 455.132 4.698 20 0 JJADRN CC(C)C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)N1Cc2ccccc2C1=O ZINC001452286487 1067218847 /nfs/dbraw/zinc/21/88/47/1067218847.db2.gz XSGAJDAAZOQOBK-ISJGIBHGSA-N 0 0 476.617 4.641 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285671 1067218867 /nfs/dbraw/zinc/21/88/67/1067218867.db2.gz DYNKNJLFGLPIQS-SBSDFTTDSA-N 0 0 454.489 4.864 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 ZINC001452313245 1067219302 /nfs/dbraw/zinc/21/93/02/1067219302.db2.gz AGBHMQFCSCGOPJ-UHFFFAOYSA-N 0 0 452.264 4.925 20 0 JJADRN Cc1ccc2c(C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OC(C)(C)C)csc2c1 ZINC001452320561 1067219319 /nfs/dbraw/zinc/21/93/19/1067219319.db2.gz DOYKDEQJQZXPAR-FQEVSTJZSA-N 0 0 453.560 4.783 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 ZINC001458985157 1067219560 /nfs/dbraw/zinc/21/95/60/1067219560.db2.gz VHQVQVYMRSXKFC-MRXNPFEDSA-N 0 0 455.039 4.645 20 0 JJADRN CC[C@@H](CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC001452322888 1067219888 /nfs/dbraw/zinc/21/98/88/1067219888.db2.gz ISDYJGIMQSTCKP-GMAHTHKFSA-N 0 0 453.579 4.839 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccc(C)c2)n1N)c1ccccc1 ZINC001458985878 1067220231 /nfs/dbraw/zinc/22/02/31/1067220231.db2.gz CAJPFPYDLASQGA-QFIPXVFZSA-N 0 0 459.575 4.756 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cnn(CC(=O)OC(C)(C)C)c1 ZINC001452344903 1067220363 /nfs/dbraw/zinc/22/03/63/1067220363.db2.gz GVRTZTKXALTXBP-UHFFFAOYSA-N 0 0 451.310 4.747 20 0 JJADRN CCn1c(SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1-c1cccnc1 ZINC001458987112 1067220718 /nfs/dbraw/zinc/22/07/18/1067220718.db2.gz VTURFRJZHWMIPU-SFHVURJKSA-N 0 0 457.575 4.900 20 0 JJADRN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458987655 1067221243 /nfs/dbraw/zinc/22/12/43/1067221243.db2.gz ZBLZZFCHJSSIMQ-OAHLLOKOSA-N 0 0 454.531 4.622 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncco1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001452401818 1067221361 /nfs/dbraw/zinc/22/13/61/1067221361.db2.gz IOLLNSMCLWQLSV-PMACEKPBSA-N 0 0 458.345 4.686 20 0 JJADRN O=C(c1ccc(Oc2ccc(Br)cc2)c(F)c1)N1Cc2ccccc2NC(=O)C1 ZINC001452401804 1067221472 /nfs/dbraw/zinc/22/14/72/1067221472.db2.gz NZCMFJOAOIBYKR-UHFFFAOYSA-N 0 0 455.283 4.975 20 0 JJADRN O=C(COc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ncco1)Nc1ccccc1F ZINC001452399045 1067221520 /nfs/dbraw/zinc/22/15/20/1067221520.db2.gz DDMGQVRIFUOQCJ-JOCHJYFZSA-N 0 0 459.477 4.545 20 0 JJADRN COc1cc(CN(C)C(=O)COc2cc(F)ccc2C(C)=O)ccc1OCc1ccccc1 ZINC001458988753 1067221691 /nfs/dbraw/zinc/22/16/91/1067221691.db2.gz BOMANDXCDYIDNX-UHFFFAOYSA-N 0 0 451.494 4.653 20 0 JJADRN Cc1noc(C)c1[C@@H](C)C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458991129 1067222021 /nfs/dbraw/zinc/22/20/21/1067222021.db2.gz UPDUVIWBXQQNBU-MRVPVSSYSA-N 0 0 453.198 4.762 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001452414374 1067222331 /nfs/dbraw/zinc/22/23/31/1067222331.db2.gz CWCZEGZYJUZVNY-VXKWHMMOSA-N 0 0 454.567 4.768 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001452413985 1067222391 /nfs/dbraw/zinc/22/23/91/1067222391.db2.gz AAIVOAWIOAHJAF-NBHGPNQESA-N 0 0 458.345 4.601 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C(=O)N3CCC[C@@H](C)C3)C(C)C)nnc2-c2ccco2)cc1 ZINC001458992433 1067222554 /nfs/dbraw/zinc/22/25/54/1067222554.db2.gz HWBLVVDREFEIQG-DYESRHJHSA-N 0 0 454.596 4.911 20 0 JJADRN O=C(Nc1c[nH]nc1Br)c1cccnc1Oc1ccc(F)cc1Br ZINC001452421100 1067222775 /nfs/dbraw/zinc/22/27/75/1067222775.db2.gz HZXWLGFQAXIGGZ-UHFFFAOYSA-N 0 0 456.069 4.513 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001452421783 1067222932 /nfs/dbraw/zinc/22/29/32/1067222932.db2.gz RTYFOAAUDQUZSA-UWKDKTGGSA-N 0 0 456.411 4.619 20 0 JJADRN O=c1c2ccccc2nc(SCCOCC(F)(F)F)n1-c1ccc(Br)cc1 ZINC001458993720 1067222908 /nfs/dbraw/zinc/22/29/08/1067222908.db2.gz HYZXLNBDIPUJBW-UHFFFAOYSA-N 0 0 459.287 4.819 20 0 JJADRN CCc1c(NC(=O)c2cc(-c3cc(OC)ccc3Cl)no2)nnn1Cc1ccc(F)cc1 ZINC001458992797 1067222966 /nfs/dbraw/zinc/22/29/66/1067222966.db2.gz XPVYPPNOJZJCLS-UHFFFAOYSA-N 0 0 455.877 4.597 20 0 JJADRN O=C(COc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)N1CCCCCC1 ZINC001458993925 1067222992 /nfs/dbraw/zinc/22/29/92/1067222992.db2.gz JFIGBQVZOMIPSA-UHFFFAOYSA-N 0 0 456.340 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC001452424796 1067223387 /nfs/dbraw/zinc/22/33/87/1067223387.db2.gz DVGWBIRAWMIZDY-YTFSRNRJSA-N 0 0 456.627 4.680 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001452438549 1067223916 /nfs/dbraw/zinc/22/39/16/1067223916.db2.gz MQSZMEOMKNWTCX-RTBURBONSA-N 0 0 452.776 4.709 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)CCO2 ZINC001458997322 1067224300 /nfs/dbraw/zinc/22/43/00/1067224300.db2.gz HMSLHZFPILHJNR-HSZRJFAPSA-N 0 0 453.441 4.687 20 0 JJADRN C[C@@H](NC(=O)COc1cccc(F)c1I)c1ccc2c(c1)CCCC2 ZINC001458996669 1067224327 /nfs/dbraw/zinc/22/43/27/1067224327.db2.gz OCWNNIIPHRMGNA-CYBMUJFWSA-N 0 0 453.295 4.565 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CO)cc2)cc1 ZINC001452444284 1067224303 /nfs/dbraw/zinc/22/43/03/1067224303.db2.gz RPWKYMVWCGTLMD-UHFFFAOYSA-N 0 0 452.576 4.838 20 0 JJADRN CCc1nc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)nn1-c1c(Cl)cccc1Cl ZINC001452441886 1067224347 /nfs/dbraw/zinc/22/43/47/1067224347.db2.gz QHHHCWKDMOLOHX-FQEVSTJZSA-N 0 0 459.377 4.770 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2cccc(Br)c2C1 ZINC001452452574 1067224800 /nfs/dbraw/zinc/22/48/00/1067224800.db2.gz JSOVZQHIISFNKN-UONOGXRCSA-N 0 0 456.258 4.872 20 0 JJADRN O=c1c(Br)cn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2cccs2)cc1 ZINC001458998530 1067225412 /nfs/dbraw/zinc/22/54/12/1067225412.db2.gz WURZVHFKECXUEI-UHFFFAOYSA-N 0 0 453.361 4.598 20 0 JJADRN CCCc1nc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)nn1-c1ccccc1F ZINC001452456653 1067225308 /nfs/dbraw/zinc/22/53/08/1067225308.db2.gz KWOOMRKWDMSSIH-QHCPKHFHSA-N 0 0 450.558 4.773 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccccc3)C3(CO)CCCCC3)CC2=O)cc1 ZINC001452455704 1067225416 /nfs/dbraw/zinc/22/54/16/1067225416.db2.gz CPLWMBSGYMZDSA-GBXCKJPGSA-N 0 0 452.620 4.562 20 0 JJADRN CCOc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C(=O)OC)C(C)(C)C)cc1 ZINC001459000803 1067225718 /nfs/dbraw/zinc/22/57/18/1067225718.db2.gz YOMOKYGKUUOHRP-OAQYLSRUSA-N 0 0 455.580 4.925 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCC(=O)c1c(Cl)cccc1Cl ZINC001452472208 1067226316 /nfs/dbraw/zinc/22/63/16/1067226316.db2.gz MECABVZAWKMEBR-UHFFFAOYSA-N 0 0 454.663 4.862 20 0 JJADRN Cc1cc(NC(=O)COc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1 ZINC001459002517 1067226630 /nfs/dbraw/zinc/22/66/30/1067226630.db2.gz SJUWDRFEPAOXIO-UHFFFAOYSA-N 0 0 453.804 4.925 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Oc2ccccc2F)nc1 ZINC001459003341 1067227138 /nfs/dbraw/zinc/22/71/38/1067227138.db2.gz DXIBFZWXMLIMMH-HSZRJFAPSA-N 0 0 455.489 4.993 20 0 JJADRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O ZINC001459003364 1067227165 /nfs/dbraw/zinc/22/71/65/1067227165.db2.gz XFJGJGMNPOXLFQ-JOCHJYFZSA-N 0 0 450.457 4.649 20 0 JJADRN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1)C2 ZINC001452488781 1067227268 /nfs/dbraw/zinc/22/72/68/1067227268.db2.gz UHNORISZLROYPW-AREMUKBSSA-N 0 0 459.565 4.570 20 0 JJADRN Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2N)cc1Br ZINC001459003479 1067227243 /nfs/dbraw/zinc/22/72/43/1067227243.db2.gz UHVFPJOYIIOHTL-UHFFFAOYSA-N 0 0 454.191 4.785 20 0 JJADRN O=C(NOCc1ccc(C(F)(F)F)cc1)c1cnn(Cc2ccccc2)c1Br ZINC001546039227 1067227330 /nfs/dbraw/zinc/22/73/30/1067227330.db2.gz QRTBBBIHYKRRMI-UHFFFAOYSA-N 0 0 454.246 4.574 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCCCCc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 ZINC001452491607 1067227650 /nfs/dbraw/zinc/22/76/50/1067227650.db2.gz GLDREANPQSMLSC-HXUWFJFHSA-N 0 0 456.999 4.565 20 0 JJADRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001459008312 1067228163 /nfs/dbraw/zinc/22/81/63/1067228163.db2.gz UBZHVYRSQSUAOX-MRXNPFEDSA-N 0 0 450.486 4.809 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)O[C@@H](C)c3cc(C)ccc3OC)cc2)c1C ZINC001459012160 1067228580 /nfs/dbraw/zinc/22/85/80/1067228580.db2.gz HIDJERDUWSJFJE-IBGZPJMESA-N 0 0 450.535 4.830 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(Cn2ccccc2=O)o1 ZINC001459013383 1067228608 /nfs/dbraw/zinc/22/86/08/1067228608.db2.gz KYXLGDYWXRAXAK-MRXNPFEDSA-N 0 0 458.358 4.932 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCCCCc2nc(-c3ccccn3)cs2)cc1 ZINC001452498205 1067229186 /nfs/dbraw/zinc/22/91/86/1067229186.db2.gz LTBBFPHLUNGIIY-UHFFFAOYSA-N 0 0 450.608 4.572 20 0 JJADRN Cc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)n1[C@H](C)c1ccccc1 ZINC001452499138 1067229540 /nfs/dbraw/zinc/22/95/40/1067229540.db2.gz ZBPHZFGMCZUMPG-BEFAXECRSA-N 0 0 453.505 4.900 20 0 JJADRN O=C(c1cccc(OCc2ccccc2Br)c1)N1NC(=O)CC12CCCCCC2 ZINC001452502186 1067229555 /nfs/dbraw/zinc/22/95/55/1067229555.db2.gz CEGKOBHDHAHKBY-UHFFFAOYSA-N 0 0 457.368 4.998 20 0 JJADRN O=c1c(Br)cc(C(F)(F)F)cn1Cc1nc2ccc(Br)cc2o1 ZINC001459017621 1067229611 /nfs/dbraw/zinc/22/96/11/1067229611.db2.gz BSYPHHCBHQGKMD-UHFFFAOYSA-N 0 0 452.024 4.582 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452512899 1067230152 /nfs/dbraw/zinc/23/01/52/1067230152.db2.gz BOWRFRCFUJUZGH-UHFFFAOYSA-N 0 0 458.341 4.737 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001452519766 1067230459 /nfs/dbraw/zinc/23/04/59/1067230459.db2.gz JRKYNOUGOPWQFG-UHFFFAOYSA-N 0 0 457.596 4.679 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2C(=O)N(C)C(C)C)cc1 ZINC001452515173 1067230571 /nfs/dbraw/zinc/23/05/71/1067230571.db2.gz MRYOQKHJLRPTDP-UHFFFAOYSA-N 0 0 451.596 4.602 20 0 JJADRN CC(C)c1ccc(-c2cc(NC(=O)Cn3cnc(C(C)C)cc3=O)n(-c3ccccc3)n2)cc1 ZINC001459020199 1067230762 /nfs/dbraw/zinc/23/07/62/1067230762.db2.gz PVWADRGTTGCMMV-UHFFFAOYSA-N 0 0 455.562 4.982 20 0 JJADRN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC001452523149 1067231047 /nfs/dbraw/zinc/23/10/47/1067231047.db2.gz NGFXNJYGXJQWDZ-LIRRHRJNSA-N 0 0 454.876 4.591 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001546039840 1067231077 /nfs/dbraw/zinc/23/10/77/1067231077.db2.gz NCRQDYJOCCOIOZ-NRFANRHFSA-N 0 0 477.694 4.645 20 0 JJADRN O=c1c2c(ncn1CC/C=C/c1ccc(Br)cc1)CN(Cc1ccccc1)CC2 ZINC001459024691 1067231340 /nfs/dbraw/zinc/23/13/40/1067231340.db2.gz AFMYKZHQQVHZTI-GQCTYLIASA-N 0 0 450.380 4.668 20 0 JJADRN Cc1[nH]nc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1I ZINC001452527310 1067231662 /nfs/dbraw/zinc/23/16/62/1067231662.db2.gz UKBMRWWOYUZLIR-UHFFFAOYSA-N 0 0 459.287 4.591 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001459026764 1067231759 /nfs/dbraw/zinc/23/17/59/1067231759.db2.gz AVWQCVAOYCABRI-HNNXBMFYSA-N 0 0 459.940 4.584 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1ccnc1[C@@H](O)c1ccccc1 ZINC001459025711 1067231789 /nfs/dbraw/zinc/23/17/89/1067231789.db2.gz GMUDVDDWPYQVDJ-IBGZPJMESA-N 0 0 455.308 4.699 20 0 JJADRN Cc1c(=O)[nH]c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nc1-c1ccccc1 ZINC001459026756 1067231800 /nfs/dbraw/zinc/23/18/00/1067231800.db2.gz NNVOYBQJFMHQBT-UHFFFAOYSA-N 0 0 457.939 4.703 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC001459027879 1067232180 /nfs/dbraw/zinc/23/21/80/1067232180.db2.gz HLIFHNLQGZVDHD-UHFFFAOYSA-N 0 0 452.454 4.922 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)c(-n2cc(Cl)cn2)n1 ZINC001459027155 1067232352 /nfs/dbraw/zinc/23/23/52/1067232352.db2.gz BIPMKVZGULPTDS-UHFFFAOYSA-N 0 0 453.333 4.578 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459028974 1067232682 /nfs/dbraw/zinc/23/26/82/1067232682.db2.gz FFEOIQNGZOAOQA-DUXSXAKTSA-N 0 0 450.760 4.957 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001459028978 1067232782 /nfs/dbraw/zinc/23/27/82/1067232782.db2.gz FFEOIQNGZOAOQA-VOWSPCBNSA-N 0 0 450.760 4.957 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCC(CCCn4ccnc4)CC3)CC2(Cl)Cl)cc1 ZINC001546105720 1067233331 /nfs/dbraw/zinc/23/33/31/1067233331.db2.gz TXFUMCCVLZBHHX-JOCHJYFZSA-N 0 0 450.410 4.816 20 0 JJADRN COC1(OC)CC2(CN(C(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)[C@@H]2C(C)C)C1 ZINC001452555501 1067233612 /nfs/dbraw/zinc/23/36/12/1067233612.db2.gz DLJQJCGNFOKQLN-HXUWFJFHSA-N 0 0 451.007 4.964 20 0 JJADRN COC1(OC)CC2(CN(C(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)[C@H]2c2ccccc2)C1 ZINC001452554386 1067233760 /nfs/dbraw/zinc/23/37/60/1067233760.db2.gz AITGJMAMEASDJU-NRFANRHFSA-N 0 0 454.542 4.777 20 0 JJADRN C[C@H]1C(=O)Nc2cc(C(=O)NCC3(c4cc(C(F)(F)F)ccc4Cl)CC3)ccc2N1C ZINC001459030432 1067233782 /nfs/dbraw/zinc/23/37/82/1067233782.db2.gz OKYBQVSMQCTWOO-LBPRGKRZSA-N 0 0 451.876 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC001452561529 1067234165 /nfs/dbraw/zinc/23/41/65/1067234165.db2.gz FHYHGFWCSZTRTG-SJORKVTESA-N 0 0 456.505 4.815 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001459032089 1067234270 /nfs/dbraw/zinc/23/42/70/1067234270.db2.gz IEVXZMUHZXPFQZ-OAHLLOKOSA-N 0 0 456.530 4.533 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)nn1-c1c(Cl)cccc1Cl ZINC001452563599 1067234741 /nfs/dbraw/zinc/23/47/41/1067234741.db2.gz LHZRLKOUZZXCSC-SFHVURJKSA-N 0 0 451.398 4.781 20 0 JJADRN COCCNC(=O)c1c2c(sc1NC(=O)CSCc1ccccc1C1CC1)CCCC2 ZINC001459033508 1067234796 /nfs/dbraw/zinc/23/47/96/1067234796.db2.gz SNVNXORUADJXCS-UHFFFAOYSA-N 0 0 458.649 4.752 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cc1Br ZINC001452565023 1067234833 /nfs/dbraw/zinc/23/48/33/1067234833.db2.gz OQVWQNHPQIADIP-QGZVFWFLSA-N 0 0 459.222 4.857 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2Br)C12CCC2 ZINC001452574346 1067235174 /nfs/dbraw/zinc/23/51/74/1067235174.db2.gz ZKMFRMNWMSSZEU-DLBZAZTESA-N 0 0 451.405 4.679 20 0 JJADRN CC(C)c1nc([C@@H](CO)NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cs1 ZINC001452571616 1067235182 /nfs/dbraw/zinc/23/51/82/1067235182.db2.gz ZPUDUJAEHJOKDN-QGZVFWFLSA-N 0 0 456.955 4.829 20 0 JJADRN CCc1c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cnn1-c1ccc(Cl)cc1 ZINC001452574094 1067235308 /nfs/dbraw/zinc/23/53/08/1067235308.db2.gz YUWKGIPEOSBIHM-WOJBJXKFSA-N 0 0 458.990 4.654 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC001459033586 1067235280 /nfs/dbraw/zinc/23/52/80/1067235280.db2.gz TYCYTOUZVFTMCP-LJQANCHMSA-N 0 0 455.498 4.632 20 0 JJADRN Cc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3O)[nH]c2c1 ZINC001546105765 1067235435 /nfs/dbraw/zinc/23/54/35/1067235435.db2.gz VJQNOPZZFSVDIV-UHFFFAOYSA-N 0 0 455.923 4.888 20 0 JJADRN CCCOc1ccc(COC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)c(C)c1 ZINC001452596784 1067235649 /nfs/dbraw/zinc/23/56/49/1067235649.db2.gz DMLZUKSPYAAMLO-UHFFFAOYSA-N 0 0 458.599 4.744 20 0 JJADRN O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC001452593533 1067235659 /nfs/dbraw/zinc/23/56/59/1067235659.db2.gz IZTRFYIXRKVVHN-FPOVZHCZSA-N 0 0 458.331 4.502 20 0 JJADRN C[C@]1(CO)CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001546040525 1067235774 /nfs/dbraw/zinc/23/57/74/1067235774.db2.gz GVYZBEWTBXNDOZ-QHCPKHFHSA-N 0 0 454.368 4.536 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001459037865 1067236132 /nfs/dbraw/zinc/23/61/32/1067236132.db2.gz WLDJJISYKFURNL-LBPRGKRZSA-N 0 0 450.333 4.691 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC001459037711 1067236222 /nfs/dbraw/zinc/23/62/22/1067236222.db2.gz RWXPQXZGFVBBSW-JTQLQIEISA-N 0 0 454.162 4.984 20 0 JJADRN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3c(o2)c(Cl)cc(Cl)c3Cl)C1 ZINC001459039098 1067236334 /nfs/dbraw/zinc/23/63/34/1067236334.db2.gz HXEVIJKCOMUOLY-SECBINFHSA-N 0 0 451.759 4.682 20 0 JJADRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001546040712 1067236342 /nfs/dbraw/zinc/23/63/42/1067236342.db2.gz KUMQGHDEZGCVHU-MLGOLLRUSA-N 0 0 451.411 4.805 20 0 JJADRN CCCOc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(C)c1 ZINC001452612436 1067236909 /nfs/dbraw/zinc/23/69/09/1067236909.db2.gz YHWPXNJORVZVJF-UHFFFAOYSA-N 0 0 451.972 4.579 20 0 JJADRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSCCC(=O)OC(C)(C)C)cc1 ZINC001459041999 1067237254 /nfs/dbraw/zinc/23/72/54/1067237254.db2.gz RUEGHVSDTLDJRX-JOCHJYFZSA-N 0 0 454.592 4.838 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)C1(C(F)(F)F)CCC1 ZINC001459042089 1067237298 /nfs/dbraw/zinc/23/72/98/1067237298.db2.gz BPAVXEMPUOQUGW-CQSZACIVSA-N 0 0 450.295 4.698 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452613736 1067237361 /nfs/dbraw/zinc/23/73/61/1067237361.db2.gz RIXNBVSWGCEVDX-VOBQZIQPSA-N 0 0 453.888 4.953 20 0 JJADRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001546041005 1067237735 /nfs/dbraw/zinc/23/77/35/1067237735.db2.gz QSBSTARSXQDYJU-TYCQWZJGSA-N 0 0 456.995 4.891 20 0 JJADRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1c[nH]nc1I ZINC001546040879 1067237776 /nfs/dbraw/zinc/23/77/76/1067237776.db2.gz NVOYTXVYOVDEPP-IEBWSBKVSA-N 0 0 457.315 4.606 20 0 JJADRN C[C@H](C[C@H](O)c1cccs1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001546041003 1067237808 /nfs/dbraw/zinc/23/78/08/1067237808.db2.gz QSBSTARSXQDYJU-HBGVWJBISA-N 0 0 456.995 4.891 20 0 JJADRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1[nH]ncc1I ZINC001546040882 1067237915 /nfs/dbraw/zinc/23/79/15/1067237915.db2.gz NVTCNRWJBIVVTQ-HKUYNNGSSA-N 0 0 457.315 4.606 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CCc3ccccc3Br)cc2C1 ZINC001459044734 1067238372 /nfs/dbraw/zinc/23/83/72/1067238372.db2.gz VGTDAGCRCNCITC-UHFFFAOYSA-N 0 0 459.384 4.949 20 0 JJADRN CC(=O)c1cc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)ccc1OC(C)C ZINC001459045730 1067238380 /nfs/dbraw/zinc/23/83/80/1067238380.db2.gz WTTJAZCKSWFMMW-UHFFFAOYSA-N 0 0 452.551 4.857 20 0 JJADRN Cc1c(C(=O)N2CCOc3c2cccc3C(C)(C)C)nnn1-c1cccc(Br)c1 ZINC001459045553 1067238392 /nfs/dbraw/zinc/23/83/92/1067238392.db2.gz INAGFPMOBMPHBX-UHFFFAOYSA-N 0 0 455.356 4.675 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)c(CO)c3)c2C(F)(F)F)cc1 ZINC001452625448 1067238420 /nfs/dbraw/zinc/23/84/20/1067238420.db2.gz RMSONVQOBJVELI-UHFFFAOYSA-N 0 0 454.246 4.707 20 0 JJADRN CN(C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC001459048133 1067238793 /nfs/dbraw/zinc/23/87/93/1067238793.db2.gz DBPOYZCEYYGSOD-SANMLTNESA-N 0 0 454.567 4.550 20 0 JJADRN O=C(COc1c(Br)nccc1C(F)(F)F)Cc1ccccc1Br ZINC001459047864 1067238800 /nfs/dbraw/zinc/23/88/00/1067238800.db2.gz QZAWALYZBNWUBC-UHFFFAOYSA-N 0 0 453.052 4.816 20 0 JJADRN O=C(c1cc(-n2ccnc2)ccc1O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452632707 1067238892 /nfs/dbraw/zinc/23/88/92/1067238892.db2.gz MKYYTRXKDKCKNU-UHFFFAOYSA-N 0 0 451.741 4.501 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)n[nH]1 ZINC001452632922 1067238928 /nfs/dbraw/zinc/23/89/28/1067238928.db2.gz NKBQXZPIRYMLQD-QFIPXVFZSA-N 0 0 450.539 4.569 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001546041401 1067239248 /nfs/dbraw/zinc/23/92/48/1067239248.db2.gz ATCGONNNLCHXEA-NQIIRXRSSA-N 0 0 467.441 4.737 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)OC(C)(C)C)C1 ZINC001546106071 1067239275 /nfs/dbraw/zinc/23/92/75/1067239275.db2.gz HVWSGIGTIBMXFF-UHFFFAOYSA-N 0 0 473.618 4.504 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001546041570 1067239786 /nfs/dbraw/zinc/23/97/86/1067239786.db2.gz HNWUZFTUPOAEMT-GOSISDBHSA-N 0 0 454.537 4.804 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001546041507 1067239819 /nfs/dbraw/zinc/23/98/19/1067239819.db2.gz DZYUOVQZPMLZJM-KOSHJBKYSA-N 0 0 495.089 4.549 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(F)(F)F)c(Cl)cc1Cl ZINC001459054208 1067240121 /nfs/dbraw/zinc/24/01/21/1067240121.db2.gz UKZUXRSMZZQKLW-HNNXBMFYSA-N 0 0 459.244 4.866 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC001459057657 1067240804 /nfs/dbraw/zinc/24/08/04/1067240804.db2.gz GJCBADUNSDRAIY-UHFFFAOYSA-N 0 0 452.530 4.586 20 0 JJADRN Cn1ncc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c1C(F)(F)F ZINC001459056775 1067240847 /nfs/dbraw/zinc/24/08/47/1067240847.db2.gz AFUMXBZNLUTSCC-UHFFFAOYSA-N 0 0 451.758 4.608 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c(F)c1 ZINC001452653180 1067240858 /nfs/dbraw/zinc/24/08/58/1067240858.db2.gz QYYMOXATBXQHCX-FQEVSTJZSA-N 0 0 450.551 4.605 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N3CCC(CCc4ccc(F)cc4F)CC3)n2)cc1 ZINC001452653620 1067240912 /nfs/dbraw/zinc/24/09/12/1067240912.db2.gz HTPWKLPDSXNTFW-UHFFFAOYSA-N 0 0 455.505 4.827 20 0 JJADRN CCOC(=O)C[C@H](S[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC ZINC001459059012 1067241442 /nfs/dbraw/zinc/24/14/42/1067241442.db2.gz RXFFVUWLRPJJNX-ZANVPECISA-N 0 0 456.775 4.592 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001452659584 1067241768 /nfs/dbraw/zinc/24/17/68/1067241768.db2.gz QVQABOAPTLNNNR-CQSZACIVSA-N 0 0 458.331 4.705 20 0 JJADRN CCOc1ccc(-c2nc(COc3cc(/C=C/C(=O)OC)ccc3OC)cs2)cc1OC ZINC001459063224 1067242412 /nfs/dbraw/zinc/24/24/12/1067242412.db2.gz JHGSKBOHLKTVSE-YRNVUSSQSA-N 0 0 455.532 4.991 20 0 JJADRN COC(=O)/C=C/c1ccc(OC)c(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 ZINC001459063280 1067242443 /nfs/dbraw/zinc/24/24/43/1067242443.db2.gz JUEREADTDALGPJ-XYOKQWHBSA-N 0 0 452.532 4.910 20 0 JJADRN O=C(O[C@@H]1CCc2ccc(OC(F)(F)F)cc21)c1cc(Br)cn(C2CC2)c1=O ZINC001459065332 1067242457 /nfs/dbraw/zinc/24/24/57/1067242457.db2.gz BFMRYRJAIGBRRW-MRXNPFEDSA-N 0 0 458.230 4.689 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3CC3CCCC3)ccc2Cl)C1 ZINC001452663538 1067242465 /nfs/dbraw/zinc/24/24/65/1067242465.db2.gz GKOXEGZBPILPGA-FXAWDEMLSA-N 0 0 453.048 4.946 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001452665829 1067242514 /nfs/dbraw/zinc/24/25/14/1067242514.db2.gz RMPSHLMKOZBONW-JXFKEZNVSA-N 0 0 455.380 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001452681439 1067242996 /nfs/dbraw/zinc/24/29/96/1067242996.db2.gz LJCYFDGWUPBVOB-UQAQOTMJSA-N 0 0 456.627 4.635 20 0 JJADRN CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c2ccccc21 ZINC001452681423 1067243001 /nfs/dbraw/zinc/24/30/01/1067243001.db2.gz LINRRRVKYXJXMF-SXSPYAJSSA-N 0 0 455.599 4.728 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC(C)(C)C3)c2)cc1 ZINC001459069232 1067243279 /nfs/dbraw/zinc/24/32/79/1067243279.db2.gz BLPPMVGCQNAFPB-LJQANCHMSA-N 0 0 458.624 4.917 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452687461 1067243306 /nfs/dbraw/zinc/24/33/06/1067243306.db2.gz UCDWQZPCAPVKDJ-WSWWRLHASA-N 0 0 452.636 4.568 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001452687907 1067243335 /nfs/dbraw/zinc/24/33/35/1067243335.db2.gz VDFJUVPRUAEGKF-DJSHAUDLSA-N 0 0 458.599 4.552 20 0 JJADRN CC(=O)N(c1nc(Cn2cc(Br)cc(F)c2=O)cs1)c1ccc(Cl)cc1 ZINC001459068200 1067243311 /nfs/dbraw/zinc/24/33/11/1067243311.db2.gz GKRMEDBJRFMJKI-UHFFFAOYSA-N 0 0 456.724 4.593 20 0 JJADRN CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)N[C@@](C)(c2ccc(C)c(C)c2)C1=O ZINC001459070655 1067243857 /nfs/dbraw/zinc/24/38/57/1067243857.db2.gz CAIFWUYZERRFQG-DEOSSOPVSA-N 0 0 454.523 4.801 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)c2cc(Cl)c(Br)cc2OC)c2ccccc21 ZINC001459070499 1067243918 /nfs/dbraw/zinc/24/39/18/1067243918.db2.gz NSGRTODLRSFSRH-CYBMUJFWSA-N 0 0 452.732 4.808 20 0 JJADRN Cc1cc2ccccc2nc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452688736 1067243858 /nfs/dbraw/zinc/24/38/58/1067243858.db2.gz VNWRWXGCFLERMM-NNWRFLSQSA-N 0 0 453.583 4.610 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001452689390 1067243947 /nfs/dbraw/zinc/24/39/47/1067243947.db2.gz IHHKEOATIRGUCW-NSHGMRRFSA-N 0 0 450.362 4.872 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001452693011 1067244897 /nfs/dbraw/zinc/24/48/97/1067244897.db2.gz WBKMHHNRKLCEBN-GOTSBHOMSA-N 0 0 455.595 4.573 20 0 JJADRN CN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452692096 1067245090 /nfs/dbraw/zinc/24/50/90/1067245090.db2.gz CTIOGCBUTJISGD-OAQYLSRUSA-N 0 0 450.514 4.661 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccccc1 ZINC001459074404 1067245264 /nfs/dbraw/zinc/24/52/64/1067245264.db2.gz IUJQSDVOXJGYPD-MHZLTWQESA-N 0 0 455.514 4.573 20 0 JJADRN CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452695106 1067245442 /nfs/dbraw/zinc/24/54/42/1067245442.db2.gz OYBFBKRYSIJYGZ-INIZCTEOSA-N 0 0 454.246 4.774 20 0 JJADRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2cc(Cl)c(N)cc2Br)c1 ZINC001459075087 1067245947 /nfs/dbraw/zinc/24/59/47/1067245947.db2.gz NQXVKFVQSSGCLN-SNVBAGLBSA-N 0 0 457.777 4.899 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@H]1N1CCOCC1 ZINC001452725583 1067246437 /nfs/dbraw/zinc/24/64/37/1067246437.db2.gz IYBARYAJHISTCP-RTBURBONSA-N 0 0 454.514 4.543 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC001459077378 1067246495 /nfs/dbraw/zinc/24/64/95/1067246495.db2.gz WYIHRPSPUNLFTG-NSHDSACASA-N 0 0 456.720 4.540 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C1 ZINC001546105885 1067246515 /nfs/dbraw/zinc/24/65/15/1067246515.db2.gz AOEPJSSTNZSTBR-UHFFFAOYSA-N 0 0 465.598 4.625 20 0 JJADRN O=C(c1ccccc1SCc1ccc(Br)cc1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001452724593 1067246651 /nfs/dbraw/zinc/24/66/51/1067246651.db2.gz FTCZGWRDFNAHIM-OAHLLOKOSA-N 0 0 458.381 4.800 20 0 JJADRN C[C@@H]1C[C@H](CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC(C)(C)C1 ZINC001459078553 1067246928 /nfs/dbraw/zinc/24/69/28/1067246928.db2.gz ZCLBVSLOFKSAEO-IAGOWNOFSA-N 0 0 455.426 4.896 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001452731817 1067246944 /nfs/dbraw/zinc/24/69/44/1067246944.db2.gz CSKPCLVDMLUHOP-LJQANCHMSA-N 0 0 454.489 4.547 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC001452731951 1067246978 /nfs/dbraw/zinc/24/69/78/1067246978.db2.gz DSTQZVYGRCHUTH-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC1 ZINC001452731808 1067246990 /nfs/dbraw/zinc/24/69/90/1067246990.db2.gz CSKPCLVDMLUHOP-IBGZPJMESA-N 0 0 454.489 4.547 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C ZINC001452734111 1067247066 /nfs/dbraw/zinc/24/70/66/1067247066.db2.gz DLBQNMCQMDJNSC-HXUWFJFHSA-N 0 0 456.999 4.633 20 0 JJADRN C[C@H]1C[C@H](CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC(C)(C)C1 ZINC001459078545 1067246987 /nfs/dbraw/zinc/24/69/87/1067246987.db2.gz ZCLBVSLOFKSAEO-DLBZAZTESA-N 0 0 455.426 4.896 20 0 JJADRN CN(C)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1Br ZINC001459080513 1067247504 /nfs/dbraw/zinc/24/75/04/1067247504.db2.gz YTLYEMQLPZEQMD-UHFFFAOYSA-N 0 0 451.792 4.851 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC001452735491 1067247586 /nfs/dbraw/zinc/24/75/86/1067247586.db2.gz MFXSYRYOKFPOPB-UHFFFAOYSA-N 0 0 452.505 4.532 20 0 JJADRN Cc1c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cnn1-c1ccc(C)cc1 ZINC001452737730 1067247613 /nfs/dbraw/zinc/24/76/13/1067247613.db2.gz JVDHYDRRWBCCKO-NRFANRHFSA-N 0 0 456.493 4.972 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)CC2)n1 ZINC001452735995 1067247622 /nfs/dbraw/zinc/24/76/22/1067247622.db2.gz KBAFUFPVWGXFKL-UHFFFAOYSA-N 0 0 455.990 4.662 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001459085609 1067248417 /nfs/dbraw/zinc/24/84/17/1067248417.db2.gz VTIDTHDDRKYHMY-GWQNQTGSSA-N 0 0 459.386 4.985 20 0 JJADRN O=C(COc1ccc(Cl)c(Br)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001459088854 1067248860 /nfs/dbraw/zinc/24/88/60/1067248860.db2.gz QURZVMWOPNDUMR-QGZVFWFLSA-N 0 0 452.732 4.616 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC001452761216 1067249028 /nfs/dbraw/zinc/24/90/28/1067249028.db2.gz XARWYIPPYSMFIY-CQSZACIVSA-N 0 0 459.365 4.847 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)cnc1F ZINC001459089889 1067249174 /nfs/dbraw/zinc/24/91/74/1067249174.db2.gz UMFCQGPAZBHJDZ-UNMCSNQZSA-N 0 0 455.574 4.907 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001459097317 1067249727 /nfs/dbraw/zinc/24/97/27/1067249727.db2.gz KJYRIKOPBWZPET-QUCCMNQESA-N 0 0 450.526 4.885 20 0 JJADRN O=C(NCCC1(CO)CCC1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001452766512 1067249959 /nfs/dbraw/zinc/24/99/59/1067249959.db2.gz MSXGDTSCXFJQFL-UHFFFAOYSA-N 0 0 454.368 4.584 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)s1 ZINC001452768163 1067250042 /nfs/dbraw/zinc/25/00/42/1067250042.db2.gz HQSGSVSZYOAVRK-TYPHKJRUSA-N 0 0 454.636 4.879 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C1 ZINC001546106292 1067250672 /nfs/dbraw/zinc/25/06/72/1067250672.db2.gz QELNUIDGYJYNDH-UHFFFAOYSA-N 0 0 483.657 4.772 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)c1C ZINC001452772897 1067250619 /nfs/dbraw/zinc/25/06/19/1067250619.db2.gz XAJNTZPKOPLWNX-INIZCTEOSA-N 0 0 454.596 4.866 20 0 JJADRN COC(=O)c1coc(CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001452775665 1067250824 /nfs/dbraw/zinc/25/08/24/1067250824.db2.gz JNBJPFGZPKBHNM-SFHVURJKSA-N 0 0 451.331 4.918 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)N2CCOCC2)C1 ZINC001546106288 1067250754 /nfs/dbraw/zinc/25/07/54/1067250754.db2.gz PZMHNFZBMKRDMM-KRWDZBQOSA-N 0 0 466.457 4.989 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCSC2)C1 ZINC001546106294 1067250769 /nfs/dbraw/zinc/25/07/69/1067250769.db2.gz QFINWHZMKKGXDA-VWLOTQADSA-N 0 0 474.671 4.625 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@H](CC)OC[C@H]2C)c1=S ZINC001452779059 1067251213 /nfs/dbraw/zinc/25/12/13/1067251213.db2.gz ZEPXQWDEBYXXFM-APWZRJJASA-N 0 0 451.036 4.951 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@@H](CC)OC[C@@H]2C)c1=S ZINC001452779063 1067251386 /nfs/dbraw/zinc/25/13/86/1067251386.db2.gz ZEPXQWDEBYXXFM-QFBILLFUSA-N 0 0 451.036 4.951 20 0 JJADRN Cn1c(=O)c(COc2c(I)cccc2C(F)(F)F)cc2ccccc21 ZINC001459106659 1067251718 /nfs/dbraw/zinc/25/17/18/1067251718.db2.gz ZLBMHBLHSBZLMN-UHFFFAOYSA-N 0 0 459.205 4.741 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452790943 1067252021 /nfs/dbraw/zinc/25/20/21/1067252021.db2.gz NJYLAGNHWBBUTM-BJKOFHAPSA-N 0 0 453.023 4.727 20 0 JJADRN COc1ccc(CN(C(=O)Cn2cnc3c2C[C@H](C)[C@H](C)C3)[C@H](C)Cc2cccs2)cc1 ZINC001459108298 1067252569 /nfs/dbraw/zinc/25/25/69/1067252569.db2.gz WUBGNETWUBMRQP-HSALFYBXSA-N 0 0 451.636 4.984 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)O1 ZINC001546044394 1067252648 /nfs/dbraw/zinc/25/26/48/1067252648.db2.gz ALXZIMMQCNGGRR-KYCQWFEFSA-N 0 0 460.594 4.768 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)O1 ZINC001546044396 1067252775 /nfs/dbraw/zinc/25/27/75/1067252775.db2.gz ALXZIMMQCNGGRR-UVPKRVSESA-N 0 0 460.594 4.768 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2nccs2)O1 ZINC001546044368 1067252784 /nfs/dbraw/zinc/25/27/84/1067252784.db2.gz ADEVJHCIWCUSQR-NTKDMRAZSA-N 0 0 468.627 4.588 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCOc2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC001459111466 1067253124 /nfs/dbraw/zinc/25/31/24/1067253124.db2.gz RIRIYGFXSNPLDE-UHFFFAOYSA-N 0 0 453.276 4.719 20 0 JJADRN CN(C(=O)Cn1cnc2cc(F)c(Cl)cc2c1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001459110920 1067253182 /nfs/dbraw/zinc/25/31/82/1067253182.db2.gz RWDAFNKJIYCNGY-QHCPKHFHSA-N 0 0 453.876 4.576 20 0 JJADRN O=C(COc1ccccc1C(F)(F)F)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459112283 1067253191 /nfs/dbraw/zinc/25/31/91/1067253191.db2.gz NCWOSXJMJDDPLU-FQEVSTJZSA-N 0 0 457.448 4.728 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)O1 ZINC001546044510 1067253306 /nfs/dbraw/zinc/25/33/06/1067253306.db2.gz CBXDELGJMAHUDK-AOJNWGRGSA-N 0 0 466.630 4.716 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOc4c(C)cc(C)cc43)cc2)c1 ZINC001452802030 1067253564 /nfs/dbraw/zinc/25/35/64/1067253564.db2.gz UWPNUPZGWAEUGU-UHFFFAOYSA-N 0 0 450.560 4.760 20 0 JJADRN COC(=O)[C@@H](Sc1ncc(CO)n1Cc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC001459115607 1067253557 /nfs/dbraw/zinc/25/35/57/1067253557.db2.gz WTXUHMRGKWAGJP-SFHVURJKSA-N 0 0 455.338 4.876 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCCO[C@@H](C)C2)O1 ZINC001546044598 1067253612 /nfs/dbraw/zinc/25/36/12/1067253612.db2.gz CZDPLSOMOOEFLY-DKZVUGQWSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2cccc(Br)c2)Cc2ccccc21 ZINC001452802017 1067253624 /nfs/dbraw/zinc/25/36/24/1067253624.db2.gz ILNLCIRMRKEGDY-LJQANCHMSA-N 0 0 459.384 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cccnc3)cc2)Cc2ccccc21 ZINC001452800344 1067253745 /nfs/dbraw/zinc/25/37/45/1067253745.db2.gz DZRLSLVCZRGSJW-QFIPXVFZSA-N 0 0 459.546 4.757 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc1OC ZINC001459118109 1067254614 /nfs/dbraw/zinc/25/46/14/1067254614.db2.gz GUKUTLHMOISXSY-HNNXBMFYSA-N 0 0 450.560 4.697 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)O1 ZINC001546044705 1067254721 /nfs/dbraw/zinc/25/47/21/1067254721.db2.gz FKGXZQZIYCFEPQ-SQJMNOBHSA-N 0 0 474.049 4.755 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c(C)n1 ZINC001452813778 1067254993 /nfs/dbraw/zinc/25/49/93/1067254993.db2.gz DAPOUEILBISTRI-QGZVFWFLSA-N 0 0 454.615 4.833 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCN(c4cc(OC)ccc4Cl)CC3)cs2)cc1 ZINC001452817594 1067255014 /nfs/dbraw/zinc/25/50/14/1067255014.db2.gz CRTWSGDKXYXSGZ-UHFFFAOYSA-N 0 0 456.011 4.926 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CS(=O)(=O)c1ccc(CC)cc1 ZINC001459120059 1067255071 /nfs/dbraw/zinc/25/50/71/1067255071.db2.gz BBRDZYKTASENMI-UHFFFAOYSA-N 0 0 457.573 4.567 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1 ZINC001452815964 1067255080 /nfs/dbraw/zinc/25/50/80/1067255080.db2.gz NKGSOXHADXMJJT-VGSWGCGISA-N 0 0 451.567 4.578 20 0 JJADRN CN(Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)OC(C)(C)C ZINC001452816267 1067255116 /nfs/dbraw/zinc/25/51/16/1067255116.db2.gz PBHZJBDGVOFDGZ-TZIWHRDSSA-N 0 0 478.511 4.852 20 0 JJADRN O=C(CS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 ZINC001452823389 1067255541 /nfs/dbraw/zinc/25/55/41/1067255541.db2.gz VUUFNOVEZBHMFY-UHFFFAOYSA-N 0 0 456.333 4.676 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C(C)C)c1 ZINC001459123213 1067255589 /nfs/dbraw/zinc/25/55/89/1067255589.db2.gz LPNVFUXLFJVHKA-UHFFFAOYSA-N 0 0 453.004 4.586 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)CSc3cccc(Br)c3)CC2)c1 ZINC001452821614 1067255693 /nfs/dbraw/zinc/25/56/93/1067255693.db2.gz KYCXBNFZADAOPM-UHFFFAOYSA-N 0 0 455.805 4.552 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001452826606 1067256176 /nfs/dbraw/zinc/25/61/76/1067256176.db2.gz CXWRQZMKRYSBEU-CVDCTZTESA-N 0 0 452.599 4.849 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CC2)nc1 ZINC001452828887 1067256195 /nfs/dbraw/zinc/25/61/95/1067256195.db2.gz ARPMJJULVONABR-OAQYLSRUSA-N 0 0 459.974 4.716 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)Cc2oc3c(cccc3C)c2C)cc1 ZINC001452848715 1067257128 /nfs/dbraw/zinc/25/71/28/1067257128.db2.gz UDLMTWIYOFTPDI-UHFFFAOYSA-N 0 0 450.564 4.654 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)nc1 ZINC001459129508 1067257448 /nfs/dbraw/zinc/25/74/48/1067257448.db2.gz VKJUBRPYODAUMY-LJQANCHMSA-N 0 0 459.384 4.941 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2cccc(F)c2O1 ZINC001459129954 1067257515 /nfs/dbraw/zinc/25/75/15/1067257515.db2.gz VUDHBNGMAKNLGZ-UKRRQHHQSA-N 0 0 451.325 4.799 20 0 JJADRN COc1cc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)ccc1OCc1c(C)noc1C ZINC001459130780 1067257927 /nfs/dbraw/zinc/25/79/27/1067257927.db2.gz YCUHDLJSTRYUST-SLZMIMFISA-N 0 0 452.482 4.845 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC001452862689 1067258169 /nfs/dbraw/zinc/25/81/69/1067258169.db2.gz PVIJGPHOLCQIBF-UHFFFAOYSA-N 0 0 459.414 4.801 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)NCCC3(CNC(=O)OC(C)(C)C)CC3)n2)cc1 ZINC001452865431 1067258194 /nfs/dbraw/zinc/25/81/94/1067258194.db2.gz LVCNQUGZFMZXRN-UHFFFAOYSA-N 0 0 456.587 4.604 20 0 JJADRN COc1ccccc1S(=O)(=O)CCCOc1ccc(Br)c(C(F)(F)F)c1 ZINC001459137181 1067258453 /nfs/dbraw/zinc/25/84/53/1067258453.db2.gz KJNGCTFPIKJQAN-UHFFFAOYSA-N 0 0 453.276 4.719 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC[C@H](c3ccccc3)[C@H]2C)O1 ZINC001546045137 1067258692 /nfs/dbraw/zinc/25/86/92/1067258692.db2.gz LJZSESDOGNDNTQ-QWIRGBKCSA-N 0 0 456.631 4.732 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)c2ccccc2)O1 ZINC001546045195 1067259102 /nfs/dbraw/zinc/25/91/02/1067259102.db2.gz LVTXDEJAESEKLO-HEKZAOSPSA-N 0 0 462.598 4.513 20 0 JJADRN CCO[C@@H]1CN(C(=O)CC2c3ccccc3Oc3ccccc32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452877586 1067259114 /nfs/dbraw/zinc/25/91/14/1067259114.db2.gz OQXXKEQXVMHGPA-HOYKHHGWSA-N 0 0 466.578 4.703 20 0 JJADRN CCO[C@@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452876245 1067259150 /nfs/dbraw/zinc/25/91/50/1067259150.db2.gz HSLAWZQKXMDCOG-WIYYLYMNSA-N 0 0 476.658 4.989 20 0 JJADRN CC[C@@H](OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC001452887064 1067259692 /nfs/dbraw/zinc/25/96/92/1067259692.db2.gz RKYORYXNVIXFJO-HSZRJFAPSA-N 0 0 456.539 4.524 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(F)cc(Br)c1 ZINC001459144892 1067259914 /nfs/dbraw/zinc/25/99/14/1067259914.db2.gz BATHZGPZWZITOQ-CXAGYDPISA-N 0 0 453.739 4.862 20 0 JJADRN CC[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1cc(F)cc(Br)c1 ZINC001459144837 1067260059 /nfs/dbraw/zinc/26/00/59/1067260059.db2.gz ABYIVPLMQHLKQN-HNNXBMFYSA-N 0 0 455.711 4.807 20 0 JJADRN O=C(N[C@@H](C(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccccc1)c1ccccc1 ZINC001452892846 1067260209 /nfs/dbraw/zinc/26/02/09/1067260209.db2.gz HEUHAUFJZBRQIW-RUZDIDTESA-N 0 0 455.489 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)s3)C2)C1 ZINC001452899062 1067261085 /nfs/dbraw/zinc/26/10/85/1067261085.db2.gz BDTFDFCSQMRHBK-RCCFBDPRSA-N 0 0 450.645 4.970 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001452898059 1067261133 /nfs/dbraw/zinc/26/11/33/1067261133.db2.gz BZGNGJZNQFUQJI-DXIQSLLYSA-N 0 0 470.997 4.828 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1CCCCCC1 ZINC001452899305 1067261239 /nfs/dbraw/zinc/26/12/39/1067261239.db2.gz BYGXIORXMPWCEV-AABGKKOBSA-N 0 0 452.636 4.724 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)CCc3cc(Cl)cs3)C2)C1 ZINC001452902803 1067261932 /nfs/dbraw/zinc/26/19/32/1067261932.db2.gz ITZZSJHWOBLKEN-KVSKMBFKSA-N 0 0 457.036 4.645 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1cc(F)cc(Br)c1 ZINC001459151660 1067261953 /nfs/dbraw/zinc/26/19/53/1067261953.db2.gz XSJMDWBUDJLQPT-JLSDUUJJSA-N 0 0 458.368 4.683 20 0 JJADRN CCc1ccc2occ(C(=O)N3CCC[C@H]([C@@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)c2c1 ZINC001452903954 1067262520 /nfs/dbraw/zinc/26/25/20/1067262520.db2.gz KYHPVZWARRAAPU-YYDVJCTNSA-N 0 0 456.583 4.920 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)C1 ZINC001452905406 1067262589 /nfs/dbraw/zinc/26/25/89/1067262589.db2.gz OLVDZAXMUFDMDP-KCZVDYSFSA-N 0 0 454.567 4.871 20 0 JJADRN O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001459154233 1067262599 /nfs/dbraw/zinc/26/25/99/1067262599.db2.gz WUWFGTUXLHFQFK-ZRDIBKRKSA-N 0 0 452.919 4.728 20 0 JJADRN COc1ccc(C(=O)NCc2cccc(C(C)C)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001459154313 1067263115 /nfs/dbraw/zinc/26/31/15/1067263115.db2.gz MSIYOCBXGJONDS-XMSQKQJNSA-N 0 0 458.624 4.606 20 0 JJADRN COc1cc(F)c(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1OC ZINC001459154027 1067263210 /nfs/dbraw/zinc/26/32/10/1067263210.db2.gz NLRCLWIBLBRPDQ-SFHVURJKSA-N 0 0 458.873 4.846 20 0 JJADRN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001459160253 1067263468 /nfs/dbraw/zinc/26/34/68/1067263468.db2.gz LRCRZUUVYUDBPA-UHFFFAOYSA-N 0 0 450.841 4.535 20 0 JJADRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001452913852 1067263908 /nfs/dbraw/zinc/26/39/08/1067263908.db2.gz QWKCSLWCQHGFBV-HNAYVOBHSA-N 0 0 465.413 4.804 20 0 JJADRN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C1 ZINC001452915488 1067264148 /nfs/dbraw/zinc/26/41/48/1067264148.db2.gz WXYGZZUTUMVKGC-VWLOTQADSA-N 0 0 454.448 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001459162337 1067264190 /nfs/dbraw/zinc/26/41/90/1067264190.db2.gz LOKYSHRPIYKAJH-ZFGGDYGUSA-N 0 0 450.579 4.885 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C)CC(C)C ZINC001452915303 1067264191 /nfs/dbraw/zinc/26/41/91/1067264191.db2.gz AQUHMTSIMCSOKK-JFJDKTSWSA-N 0 0 456.627 4.502 20 0 JJADRN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C1 ZINC001452915480 1067264198 /nfs/dbraw/zinc/26/41/98/1067264198.db2.gz WXYGZZUTUMVKGC-RUZDIDTESA-N 0 0 454.448 4.866 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)ns1)CC(C)C ZINC001452923395 1067265104 /nfs/dbraw/zinc/26/51/04/1067265104.db2.gz LZTOBGHFKUYAGT-AWEZNQCLSA-N 0 0 453.402 4.918 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)CC(C)C ZINC001452925477 1067265115 /nfs/dbraw/zinc/26/51/15/1067265115.db2.gz RTHWWXVXNZDKIS-ACRUOGEOSA-N 0 0 454.652 4.972 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)CC(C)C ZINC001452923365 1067265259 /nfs/dbraw/zinc/26/52/59/1067265259.db2.gz LMRHLDXEBCJZPG-WOZUAGRISA-N 0 0 452.636 4.676 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)O1 ZINC001546046242 1067265610 /nfs/dbraw/zinc/26/56/10/1067265610.db2.gz YIMPYPJCNKIOPK-OYHNWAKOSA-N 0 0 475.018 4.624 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@H](CC)OC[C@@H]3CC)c2)cc1 ZINC001452939107 1067265717 /nfs/dbraw/zinc/26/57/17/1067265717.db2.gz XRYRNFSXHVMWMJ-GOTSBHOMSA-N 0 0 458.624 4.860 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001459178130 1067266032 /nfs/dbraw/zinc/26/60/32/1067266032.db2.gz KOIGMICNVSKPMU-PZJWPPBQSA-N 0 0 459.384 4.660 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C(=O)c1ccc(Br)s1 ZINC001459176060 1067266078 /nfs/dbraw/zinc/26/60/78/1067266078.db2.gz BWPZOZLYURUEFG-LBPRGKRZSA-N 0 0 459.203 4.936 20 0 JJADRN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCC[C@H]1Cc1ccccc1F ZINC001452944159 1067266097 /nfs/dbraw/zinc/26/60/97/1067266097.db2.gz PIYLYLAZFGTXGI-QFIPXVFZSA-N 0 0 452.551 4.864 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001459178254 1067266451 /nfs/dbraw/zinc/26/64/51/1067266451.db2.gz LTUISPYXUXPPTL-WOJBJXKFSA-N 0 0 457.412 4.899 20 0 JJADRN COCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1C(F)(F)F ZINC001452951849 1067267139 /nfs/dbraw/zinc/26/71/39/1067267139.db2.gz ARNDOVGHYRIMIJ-CQSZACIVSA-N 0 0 453.436 4.874 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2(Cc3cccs3)CCCCC2)c1 ZINC001546106978 1067267379 /nfs/dbraw/zinc/26/73/79/1067267379.db2.gz UPKMEBLLMHPGFI-UHFFFAOYSA-N 0 0 450.626 4.616 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001452964426 1067268578 /nfs/dbraw/zinc/26/85/78/1067268578.db2.gz WVBRSINXLWJFTE-CABCVRRESA-N 0 0 458.525 4.831 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001452964446 1067268585 /nfs/dbraw/zinc/26/85/85/1067268585.db2.gz WVBRSINXLWJFTE-LSDHHAIUSA-N 0 0 458.525 4.831 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452964289 1067268600 /nfs/dbraw/zinc/26/86/00/1067268600.db2.gz INRJCAKPEDPNHG-OAQYLSRUSA-N 0 0 459.631 4.678 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccc(Br)o1 ZINC001459188402 1067269186 /nfs/dbraw/zinc/26/91/86/1067269186.db2.gz NSLDEYGSCHIDBO-UHFFFAOYSA-N 0 0 456.159 4.787 20 0 JJADRN O=C(NN1CCc2ccccc2C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001452967981 1067269121 /nfs/dbraw/zinc/26/91/21/1067269121.db2.gz BQEACZKLCCJBMX-UHFFFAOYSA-N 0 0 454.374 4.613 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001452977429 1067269512 /nfs/dbraw/zinc/26/95/12/1067269512.db2.gz MTLIXALOAGAZGD-DLBZAZTESA-N 0 0 455.418 4.547 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@@H](C)C1=O ZINC001452972760 1067269617 /nfs/dbraw/zinc/26/96/17/1067269617.db2.gz GCGFQJKSZMFIBE-IAGOWNOFSA-N 0 0 466.379 4.528 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)[C@H]2CCCC[C@H]12 ZINC001452969252 1067269626 /nfs/dbraw/zinc/26/96/26/1067269626.db2.gz TWQQTFIVWGROOP-VSKRKVRLSA-N 0 0 455.624 4.668 20 0 JJADRN CC(C)[C@H](NC(=O)COc1c(F)cccc1Br)c1ccc2c(c1)OCCCO2 ZINC001459192709 1067269634 /nfs/dbraw/zinc/26/96/34/1067269634.db2.gz SGIWBOXECYCCGC-FQEVSTJZSA-N 0 0 452.320 4.642 20 0 JJADRN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cs1 ZINC001459195184 1067269944 /nfs/dbraw/zinc/26/99/44/1067269944.db2.gz XKYACYVXQCPIHF-DNVCBOLYSA-N 0 0 452.407 4.974 20 0 JJADRN COCC1(C2CCC2)CN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001452981918 1067270379 /nfs/dbraw/zinc/27/03/79/1067270379.db2.gz BJVRNJGHEJRLJR-UHFFFAOYSA-N 0 0 457.368 4.590 20 0 JJADRN COCC1(C2CCC2)CN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001452985956 1067271123 /nfs/dbraw/zinc/27/11/23/1067271123.db2.gz XHAVJURGWQWEJB-UHFFFAOYSA-N 0 0 457.368 4.590 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cccc(SC)c3)cn2)c1 ZINC001452986368 1067271133 /nfs/dbraw/zinc/27/11/33/1067271133.db2.gz JYKMPMZRYMZNNM-UHFFFAOYSA-N 0 0 456.593 4.951 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546107153 1067271094 /nfs/dbraw/zinc/27/10/94/1067271094.db2.gz CGHKVHQRFBGQML-UHFFFAOYSA-N 0 0 478.588 4.825 20 0 JJADRN Cc1ccc2c(c1)NC(=O)N(Cc1coc(-c3ccc(F)c(C(F)(F)F)c3)n1)S2(=O)=O ZINC001459208285 1067271460 /nfs/dbraw/zinc/27/14/60/1067271460.db2.gz HNCAOOKHPJFQTC-UHFFFAOYSA-N 0 0 455.389 4.544 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cs1 ZINC001459207698 1067271551 /nfs/dbraw/zinc/27/15/51/1067271551.db2.gz BYYSQYOOPCPENC-AWEZNQCLSA-N 0 0 456.365 4.873 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cs1 ZINC001459212028 1067272011 /nfs/dbraw/zinc/27/20/11/1067272011.db2.gz RASUBXJDYMZPDT-INIZCTEOSA-N 0 0 455.967 4.638 20 0 JJADRN Cn1cc(-c2ccc(C(=O)N[C@@H](Cc3ccccn3)c3ccc(Br)cc3)o2)cn1 ZINC001459223289 1067272886 /nfs/dbraw/zinc/27/28/86/1067272886.db2.gz HGJDBVOCFXJNOG-IBGZPJMESA-N 0 0 451.324 4.551 20 0 JJADRN CC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)[C@H]1C ZINC001459225923 1067273301 /nfs/dbraw/zinc/27/33/01/1067273301.db2.gz MSTDERWGQOCUHK-VKUUMZLYSA-N 0 0 450.579 4.835 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)[C@H]2CCO[C@H]2C)cc1OC ZINC001459223455 1067273318 /nfs/dbraw/zinc/27/33/18/1067273318.db2.gz RDFMHLVWDXIGRC-KXBFYZLASA-N 0 0 455.942 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](Cn3nc(-c4ccc(Cl)cc4)nc3Cl)C2)C1 ZINC001459228520 1067273795 /nfs/dbraw/zinc/27/37/95/1067273795.db2.gz MLFMAGKSMRMASD-HRAATJIYSA-N 0 0 453.370 4.668 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)C1 ZINC001459230853 1067274355 /nfs/dbraw/zinc/27/43/55/1067274355.db2.gz OBEFRFLBLSOHAC-CABCVRRESA-N 0 0 453.967 4.674 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC001459228746 1067274376 /nfs/dbraw/zinc/27/43/76/1067274376.db2.gz PMHYJFZHOOFUOO-UHFFFAOYSA-N 0 0 456.564 4.793 20 0 JJADRN CCn1ncc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001453026918 1067274362 /nfs/dbraw/zinc/27/43/62/1067274362.db2.gz CJMZHEDSZUFRAB-UHFFFAOYSA-N 0 0 454.596 4.870 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c1 ZINC001453011571 1067274543 /nfs/dbraw/zinc/27/45/43/1067274543.db2.gz NMNRHBCCLBMIDH-XMMPIXPASA-N 0 0 456.608 4.652 20 0 JJADRN CC1CC(C(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)(c2cccc(Cl)c2)C1 ZINC001453003351 1067274582 /nfs/dbraw/zinc/27/45/82/1067274582.db2.gz YGQBSUWDUJJOIN-LYNDWLEASA-N 0 0 450.888 4.644 20 0 JJADRN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001453030197 1067274878 /nfs/dbraw/zinc/27/48/78/1067274878.db2.gz INDJCHXBCMDGPM-OYHNWAKOSA-N 0 0 474.504 4.964 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC001453030232 1067275087 /nfs/dbraw/zinc/27/50/87/1067275087.db2.gz ITJLRSISKCNLNK-IFXJQAMLSA-N 0 0 458.381 4.526 20 0 JJADRN COc1ccccc1[C@@H](C)N(OC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC001453052251 1067275589 /nfs/dbraw/zinc/27/55/89/1067275589.db2.gz NNTWOMDNMCAAJL-HUUCEWRRSA-N 0 0 455.580 4.614 20 0 JJADRN COCCOc1ccc(CC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 ZINC001459237723 1067275652 /nfs/dbraw/zinc/27/56/52/1067275652.db2.gz LFHCZVKHLFNHHA-NRFANRHFSA-N 0 0 450.348 4.814 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001459236516 1067275694 /nfs/dbraw/zinc/27/56/94/1067275694.db2.gz KBPDMAJOMYDOFQ-LJQANCHMSA-N 0 0 451.991 4.613 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)N2CCc3c(Br)cc(C)cc3C2)n1 ZINC001459241538 1067276325 /nfs/dbraw/zinc/27/63/25/1067276325.db2.gz KSPIXHMPMALENI-UHFFFAOYSA-N 0 0 458.381 4.940 20 0 JJADRN C[C@H](SC[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(I)cc1 ZINC001459242896 1067276601 /nfs/dbraw/zinc/27/66/01/1067276601.db2.gz DWLQLKOBEOHYMW-UGSOOPFHSA-N 0 0 453.345 4.665 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC2(CSC)CC2)cc1OC ZINC001453069565 1067276628 /nfs/dbraw/zinc/27/66/28/1067276628.db2.gz AUXSEMDMMLHVAD-UHFFFAOYSA-N 0 0 451.592 4.820 20 0 JJADRN C[C@@H](SC[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(I)cc1 ZINC001459242893 1067276806 /nfs/dbraw/zinc/27/68/06/1067276806.db2.gz DWLQLKOBEOHYMW-ACJLOTCBSA-N 0 0 453.345 4.665 20 0 JJADRN O=c1onc(-c2cc(Br)cc(Br)c2)n1CCSc1ccccc1 ZINC001459244472 1067277281 /nfs/dbraw/zinc/27/72/81/1067277281.db2.gz WZZRGIRCNWHOGP-UHFFFAOYSA-N 0 0 456.159 4.821 20 0 JJADRN O=C(c1ccc(I)c(Cl)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC001459246181 1067277312 /nfs/dbraw/zinc/27/73/12/1067277312.db2.gz PVSRISKTBUETMP-LJQANCHMSA-N 0 0 453.707 4.606 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)O1 ZINC001546047631 1067278290 /nfs/dbraw/zinc/27/82/90/1067278290.db2.gz BDZMNOSSPZTBKN-HOYKHHGWSA-N 0 0 473.980 4.996 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1 ZINC001459257714 1067278300 /nfs/dbraw/zinc/27/83/00/1067278300.db2.gz VLAALCIMROOWHP-GOSISDBHSA-N 0 0 452.551 4.912 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc(COc3ccccc3F)on1)CC2 ZINC001459255650 1067278307 /nfs/dbraw/zinc/27/83/07/1067278307.db2.gz NVQWZNZFASJRBY-UHFFFAOYSA-N 0 0 453.470 4.943 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCSC2)O1 ZINC001546047689 1067278758 /nfs/dbraw/zinc/27/87/58/1067278758.db2.gz BWMWIHGKUXBUSA-VWKPWSFCSA-N 0 0 465.461 4.997 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCSC2)O1 ZINC001546047688 1067278796 /nfs/dbraw/zinc/27/87/96/1067278796.db2.gz BWMWIHGKUXBUSA-GCKMJXCFSA-N 0 0 465.461 4.997 20 0 JJADRN Cc1ccc(-c2cnc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)s2)c(C)c1 ZINC001459263269 1067279217 /nfs/dbraw/zinc/27/92/17/1067279217.db2.gz MZQIKVAMIPNTFA-UHFFFAOYSA-N 0 0 459.568 4.603 20 0 JJADRN COc1ncc(NC(=O)c2cc3c(cncc3Br)s2)c(C)c1Br ZINC001453115353 1067279700 /nfs/dbraw/zinc/27/97/00/1067279700.db2.gz CHGDICGKWPQFOF-UHFFFAOYSA-N 0 0 457.147 4.786 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3nc(C(C)C)ncc3Br)c2o1 ZINC001459267372 1067279787 /nfs/dbraw/zinc/27/97/87/1067279787.db2.gz TWFBDGCTSMCTPW-UHFFFAOYSA-N 0 0 454.122 4.827 20 0 JJADRN COc1ncc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)F)c(C)c1Br ZINC001453117936 1067280214 /nfs/dbraw/zinc/28/02/14/1067280214.db2.gz NZDUJULQONJKES-UHFFFAOYSA-N 0 0 451.271 4.845 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459268043 1067280541 /nfs/dbraw/zinc/28/05/41/1067280541.db2.gz SMSXAIJENUJULW-AWEZNQCLSA-N 0 0 459.823 4.907 20 0 JJADRN COCCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c2ccccc21 ZINC001453120589 1067280798 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UPTDIHBZUWDOAR-WXFUMESZSA-N 0 0 470.585 4.591 20 0 JJADRN C[C@H](CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 ZINC001453127521 1067281810 /nfs/dbraw/zinc/28/18/10/1067281810.db2.gz KVOKAGZJWPKANG-CZAAIQMYSA-N 0 0 450.476 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC001453126627 1067281909 /nfs/dbraw/zinc/28/19/09/1067281909.db2.gz YTSAQFBFSMKSNM-VGOFRKELSA-N 0 0 455.505 4.969 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CCCCC1 ZINC001459279699 1067281973 /nfs/dbraw/zinc/28/19/73/1067281973.db2.gz NXILBEDUMVPUNJ-UHFFFAOYSA-N 0 0 450.992 4.948 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)C2)cc1 ZINC001459283926 1067282479 /nfs/dbraw/zinc/28/24/79/1067282479.db2.gz ZEVFRMVLYODXPL-GOSISDBHSA-N 0 0 454.983 4.582 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)[C@@H](F)C2)O1 ZINC001546047890 1067282670 /nfs/dbraw/zinc/28/26/70/1067282670.db2.gz FQCBUDKWDTXGAI-VYGYDYRJSA-N 0 0 457.413 4.911 20 0 JJADRN COc1ccc(CCC(=O)NC[C@H](OC(C)C)c2ccccc2OC)c(Br)c1 ZINC001459286532 1067283142 /nfs/dbraw/zinc/28/31/42/1067283142.db2.gz KLVBRNWJEKSUDU-NRFANRHFSA-N 0 0 450.373 4.681 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)O1 ZINC001546047918 1067283356 /nfs/dbraw/zinc/28/33/56/1067283356.db2.gz GARREJZOQJHWCR-YUWJWYLASA-N 0 0 483.476 4.978 20 0 JJADRN COc1ccc(-c2nc(C(=O)NC[C@@H](OC(C)C)c3ccccc3OC)cs2)cc1OC ZINC001459290820 1067283559 /nfs/dbraw/zinc/28/35/59/1067283559.db2.gz RUDWWLGNMOULGA-JOCHJYFZSA-N 0 0 456.564 4.732 20 0 JJADRN Cc1cc2c(cc1NC(=O)c1cc(Br)cc(Br)c1)sc(=O)n2C ZINC001453150686 1067283747 /nfs/dbraw/zinc/28/37/47/1067283747.db2.gz YHEULBKBRVACEC-UHFFFAOYSA-N 0 0 456.159 4.686 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)O1 ZINC001546048021 1067284336 /nfs/dbraw/zinc/28/43/36/1067284336.db2.gz HBFFXNBILQBYMG-HOFKKMOUSA-N 0 0 499.656 4.606 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](C(C)(C)C)C2)O1 ZINC001546048007 1067284346 /nfs/dbraw/zinc/28/43/46/1067284346.db2.gz GXESGZMKDWBOBP-KCVHQNEMSA-N 0 0 472.630 4.561 20 0 JJADRN Cc1cccnc1COC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001459297118 1067285363 /nfs/dbraw/zinc/28/53/63/1067285363.db2.gz BXDXMJQDBNCAFU-UHFFFAOYSA-N 0 0 454.939 4.779 20 0 JJADRN Cc1csc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1I ZINC001459296985 1067285461 /nfs/dbraw/zinc/28/54/61/1067285461.db2.gz BCOBNFPBMJNNMQ-UHFFFAOYSA-N 0 0 455.296 4.606 20 0 JJADRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001459299182 1067285799 /nfs/dbraw/zinc/28/57/99/1067285799.db2.gz OMYZLAOVVNMASR-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN Cc1cc(C2CCN(C(=O)CCn3cc(Br)cn3)CC2)ccc1Br ZINC001459298572 1067285949 /nfs/dbraw/zinc/28/59/49/1067285949.db2.gz SKRVNWFZHDLOBS-UHFFFAOYSA-N 0 0 455.194 4.513 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546048204 1067286420 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LDXUCGARBKBRDR-JTUHZDRVSA-N 0 0 493.446 4.679 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001459304706 1067288214 /nfs/dbraw/zinc/28/82/14/1067288214.db2.gz KUQBPBUBAZONLR-WDEREUQCSA-N 0 0 456.255 4.921 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)O1 ZINC001546048420 1067288224 /nfs/dbraw/zinc/28/82/24/1067288224.db2.gz LYVKRIRTGNWRKS-DHTSOJEISA-N 0 0 474.049 4.639 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c2ccccc2c1=O ZINC001459304973 1067288253 /nfs/dbraw/zinc/28/82/53/1067288253.db2.gz YSCJMTNBELRWLT-IBGZPJMESA-N 0 0 452.624 4.557 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1=O ZINC001459305697 1067288797 /nfs/dbraw/zinc/28/87/97/1067288797.db2.gz ZBTOWSYLGFWZQV-QUCCMNQESA-N 0 0 456.970 4.842 20 0 JJADRN CCOc1ccc(NC(=O)c2c3ccc(Br)cc3nn2C)cc1Br ZINC001459306016 1067288823 /nfs/dbraw/zinc/28/88/23/1067288823.db2.gz SAEYQCOPSSLTOR-UHFFFAOYSA-N 0 0 453.134 4.749 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001459306182 1067289342 /nfs/dbraw/zinc/28/93/42/1067289342.db2.gz XDHCNPVUICQDRL-CRAIPNDOSA-N 0 0 453.174 4.791 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](OC)C2)O1 ZINC001546048574 1067289692 /nfs/dbraw/zinc/28/96/92/1067289692.db2.gz NUALAVNORFITMT-KGVIQGDOSA-N 0 0 463.420 4.589 20 0 JJADRN CN1c2ccccc2C[C@@H](NC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)C1=O ZINC001453220073 1067289847 /nfs/dbraw/zinc/28/98/47/1067289847.db2.gz ZIWQGCCUJPUQFZ-QGZVFWFLSA-N 0 0 451.548 4.566 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459309732 1067289838 /nfs/dbraw/zinc/28/98/38/1067289838.db2.gz FTYIIYGCYZRRMY-CYBMUJFWSA-N 0 0 451.311 4.649 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459309733 1067289912 /nfs/dbraw/zinc/28/99/12/1067289912.db2.gz FTYIIYGCYZRRMY-ZDUSSCGKSA-N 0 0 451.311 4.649 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@H](C)CC(N)=O)O1 ZINC001546048633 1067290164 /nfs/dbraw/zinc/29/01/64/1067290164.db2.gz OLPBNJMTVYXCIB-IYJATWDHSA-N 0 0 485.629 4.861 20 0 JJADRN CC1(C)CN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CCc2ccccc21 ZINC001453230247 1067290857 /nfs/dbraw/zinc/29/08/57/1067290857.db2.gz WHVSPWBCRUAKBF-VWLOTQADSA-N 0 0 457.574 4.941 20 0 JJADRN O=C([C@H](Sc1cc(F)ccc1F)c1ccccc1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453237553 1067290915 /nfs/dbraw/zinc/29/09/15/1067290915.db2.gz GMEOURAQLATVNT-HSZRJFAPSA-N 0 0 454.542 4.789 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)O1 ZINC001546048946 1067291356 /nfs/dbraw/zinc/29/13/56/1067291356.db2.gz RVAWBJSAYGNHIS-GCCWUPBUSA-N 0 0 467.658 4.553 20 0 JJADRN O=C(NCCS(=O)(=O)C(F)(F)F)c1oc2ccccc2c1CSCc1ccccc1 ZINC001453256578 1067291489 /nfs/dbraw/zinc/29/14/89/1067291489.db2.gz XPYRIBDNBMJEOQ-UHFFFAOYSA-N 0 0 457.495 4.531 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459313800 1067291681 /nfs/dbraw/zinc/29/16/81/1067291681.db2.gz CFZDMESATFKYSI-CWTRNNRKSA-N 0 0 453.297 4.680 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)O1 ZINC001546049001 1067292553 /nfs/dbraw/zinc/29/25/53/1067292553.db2.gz SKCAKLDIQHIDDN-SBQVMTCPSA-N 0 0 467.658 4.553 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2ccccn2)O1 ZINC001546049029 1067293136 /nfs/dbraw/zinc/29/31/36/1067293136.db2.gz SYJKFVJXKUETGP-RDPSFJRHSA-N 0 0 457.525 4.926 20 0 JJADRN O=C(Nc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)ccc1Cl)c1cccs1 ZINC001453282249 1067293456 /nfs/dbraw/zinc/29/34/56/1067293456.db2.gz LITFRLXFPDRFQP-RBUKOAKNSA-N 0 0 454.979 4.892 20 0 JJADRN Cc1c(C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1F ZINC001453282364 1067293566 /nfs/dbraw/zinc/29/35/66/1067293566.db2.gz BYMXJLSQUDXPEI-HXUWFJFHSA-N 0 0 453.489 4.540 20 0 JJADRN Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)c(C)c1 ZINC001459318839 1067293731 /nfs/dbraw/zinc/29/37/31/1067293731.db2.gz SPHZHPROXOMGAL-UHFFFAOYSA-N 0 0 450.410 4.884 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)C[C@H]2CCCO2)O1 ZINC001546049100 1067293901 /nfs/dbraw/zinc/29/39/01/1067293901.db2.gz VENCJZNIFQMLLV-MSYCTHLASA-N 0 0 477.447 4.979 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(=O)OC)C2)O1 ZINC001546048832 1067294425 /nfs/dbraw/zinc/29/44/25/1067294425.db2.gz QPGSBALCELWCHK-VTJXTGGHSA-N 0 0 497.459 4.506 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001459320807 1067294520 /nfs/dbraw/zinc/29/45/20/1067294520.db2.gz VYOGEUHPMZLVFH-LLVKDONJSA-N 0 0 452.260 4.571 20 0 JJADRN CC(C)CN(C(=O)c1ccc(S(C)(=O)=O)s1)C(C)(C)c1ccc(Br)cc1 ZINC001459323063 1067294602 /nfs/dbraw/zinc/29/46/02/1067294602.db2.gz DNVIYVLOPKZQRP-UHFFFAOYSA-N 0 0 458.443 4.948 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001453293827 1067294927 /nfs/dbraw/zinc/29/49/27/1067294927.db2.gz WXAOGVZCFHEBEO-SFHVURJKSA-N 0 0 451.441 4.675 20 0 JJADRN C[C@H](C1CC1)n1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cn1 ZINC001459323109 1067295019 /nfs/dbraw/zinc/29/50/19/1067295019.db2.gz LXHFJYGNJYMDFX-OAHLLOKOSA-N 0 0 458.971 4.585 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)c3ccc4cc(Br)ccc4c3)ccc21 ZINC001459325983 1067295299 /nfs/dbraw/zinc/29/52/99/1067295299.db2.gz GTWVUDSNYUGQKZ-UHFFFAOYSA-N 0 0 453.336 4.780 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001459324932 1067295329 /nfs/dbraw/zinc/29/53/29/1067295329.db2.gz JWFSHMMFJZGJBA-SFHVURJKSA-N 0 0 451.336 4.971 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546049422 1067296318 /nfs/dbraw/zinc/29/63/18/1067296318.db2.gz ZMGCBHLMNMALKB-JPYJTQIMSA-N 0 0 464.532 4.949 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(=O)OC)CC2)O1 ZINC001546049399 1067296451 /nfs/dbraw/zinc/29/64/51/1067296451.db2.gz ZFTNESLUWDCQOP-HOFKKMOUSA-N 0 0 499.656 4.606 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)c3cccc(Cl)c3F)cc2)CC1 ZINC001459330659 1067296609 /nfs/dbraw/zinc/29/66/09/1067296609.db2.gz SJDRXSNQYJVLFX-UHFFFAOYSA-N 0 0 452.979 4.565 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001459331758 1067296922 /nfs/dbraw/zinc/29/69/22/1067296922.db2.gz MSAWJGIWRAMHGT-AREMUKBSSA-N 0 0 454.526 4.718 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)ccc21 ZINC001459333340 1067297423 /nfs/dbraw/zinc/29/74/23/1067297423.db2.gz SVQPEJSGHSTUFY-UHFFFAOYSA-N 0 0 451.910 4.705 20 0 JJADRN Cc1onc(-c2cccnc2)c1C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001453327397 1067297765 /nfs/dbraw/zinc/29/77/65/1067297765.db2.gz QMWARYTZFDEECO-HXUWFJFHSA-N 0 0 454.571 4.544 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)CC2)cc1 ZINC001459336415 1067297843 /nfs/dbraw/zinc/29/78/43/1067297843.db2.gz ZMRAANYZJPJITC-UHFFFAOYSA-N 0 0 459.512 4.918 20 0 JJADRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001459336836 1067297918 /nfs/dbraw/zinc/29/79/18/1067297918.db2.gz PQNJZHGGILVPLI-GJZGRUSLSA-N 0 0 456.151 4.922 20 0 JJADRN CN(C)c1ccc(C2(C(=O)N3CCC[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)CC2)cc1 ZINC001453331116 1067298185 /nfs/dbraw/zinc/29/81/85/1067298185.db2.gz HKLYFXCKQBZDRH-NRFANRHFSA-N 0 0 455.643 4.670 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC001459338909 1067298478 /nfs/dbraw/zinc/29/84/78/1067298478.db2.gz PNQCUDMKCIYHGW-DEOSSOPVSA-N 0 0 457.526 4.930 20 0 JJADRN Cc1cccc([C@@H](CC(=O)NC2(c3ccc(Br)cc3)CCCCC2)NC(N)=O)c1 ZINC001453340644 1067299061 /nfs/dbraw/zinc/29/90/61/1067299061.db2.gz WQZDWOQVYHKNQO-HXUWFJFHSA-N 0 0 458.400 4.833 20 0 JJADRN Cc1cccc([C@H](CC(=O)NC2(c3ccc(Br)cc3)CCCCC2)NC(N)=O)c1 ZINC001453340643 1067299127 /nfs/dbraw/zinc/29/91/27/1067299127.db2.gz WQZDWOQVYHKNQO-FQEVSTJZSA-N 0 0 458.400 4.833 20 0 JJADRN Cc1cc(C)cc(OCc2noc(CN3CCO[C@@H](c4ccc(Br)cc4)C3)n2)c1 ZINC001459346795 1067299415 /nfs/dbraw/zinc/29/94/15/1067299415.db2.gz FKOZECWMPCQNMN-HXUWFJFHSA-N 0 0 458.356 4.601 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1cc(Cl)ccc1I ZINC001453343265 1067299582 /nfs/dbraw/zinc/29/95/82/1067299582.db2.gz FRRZOCLLSANBPE-LLVKDONJSA-N 0 0 459.686 4.609 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3NC(C)C)CC2=O)cc1 ZINC001453352196 1067300009 /nfs/dbraw/zinc/30/00/09/1067300009.db2.gz YXYZCJIFDWEJTE-FQEVSTJZSA-N 0 0 451.567 4.628 20 0 JJADRN C[C@]12CCN(C(=O)Cc3cc(Cl)ccc3Cl)C[C@H]1C2(Br)Br ZINC001453356467 1067300387 /nfs/dbraw/zinc/30/03/87/1067300387.db2.gz LUNXVINHBVZKGA-OCCSQVGLSA-N 0 0 456.005 4.890 20 0 JJADRN O=C(COc1ccccc1Cc1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001453363887 1067300974 /nfs/dbraw/zinc/30/09/74/1067300974.db2.gz QQSRDWHTKYMISR-UHFFFAOYSA-N 0 0 454.448 4.699 20 0 JJADRN O=C(Nc1ccc2c(c1)CN(C(=O)C1(c3cccc(Br)c3)CC1)C2)C(F)(F)F ZINC001453361033 1067301066 /nfs/dbraw/zinc/30/10/66/1067301066.db2.gz JZPYIHLJWHHHAA-UHFFFAOYSA-N 0 0 453.258 4.524 20 0 JJADRN CN(C(=O)CN1CCC(Oc2ccccc2)CC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001459356725 1067301947 /nfs/dbraw/zinc/30/19/47/1067301947.db2.gz KOXQOIFTEUMGEY-SANMLTNESA-N 0 0 454.998 4.680 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC001459356633 1067302033 /nfs/dbraw/zinc/30/20/33/1067302033.db2.gz WVGDZCRBTGZUKR-RUZDIDTESA-N 0 0 459.619 4.592 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c21 ZINC001453380426 1067302438 /nfs/dbraw/zinc/30/24/38/1067302438.db2.gz YGPFIXRRYOYKSL-UHFFFAOYSA-N 0 0 456.543 4.982 20 0 JJADRN Cc1ccc(Nc2ccccc2C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 ZINC001453393972 1067302950 /nfs/dbraw/zinc/30/29/50/1067302950.db2.gz YOCRHZJLAJLMIS-CLOONOSVSA-N 0 0 459.594 4.590 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2CCN(C3CC3)c3ccccc32)cc1OCC ZINC001459359947 1067303032 /nfs/dbraw/zinc/30/30/32/1067303032.db2.gz XGJZVHJTKWHIFZ-UHFFFAOYSA-N 0 0 459.384 4.805 20 0 JJADRN CCCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC001459363212 1067303371 /nfs/dbraw/zinc/30/33/71/1067303371.db2.gz CHWKIAZTNYVHKB-OAHLLOKOSA-N 0 0 457.372 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)C1 ZINC001453396693 1067303483 /nfs/dbraw/zinc/30/34/83/1067303483.db2.gz HNVXMUXHZZUXAE-LJQANCHMSA-N 0 0 454.552 4.699 20 0 JJADRN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453395368 1067303526 /nfs/dbraw/zinc/30/35/26/1067303526.db2.gz BATNINBKKLLKNK-DFKDPWMTSA-N 0 0 455.179 4.805 20 0 JJADRN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1Br ZINC001459362651 1067303533 /nfs/dbraw/zinc/30/35/33/1067303533.db2.gz LCMHLZCOGCSTEV-UHFFFAOYSA-N 0 0 459.793 4.692 20 0 JJADRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001459363966 1067303663 /nfs/dbraw/zinc/30/36/63/1067303663.db2.gz DKELWUZGONIRRB-INIZCTEOSA-N 0 0 459.472 4.556 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC001453396030 1067303918 /nfs/dbraw/zinc/30/39/18/1067303918.db2.gz FPPMHFPQKXYDJS-IBGZPJMESA-N 0 0 457.372 4.836 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459365257 1067304045 /nfs/dbraw/zinc/30/40/45/1067304045.db2.gz AXXDTXNITAKCED-IEBWSBKVSA-N 0 0 458.249 4.869 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1ccc(C)nc1Br ZINC001453398890 1067303950 /nfs/dbraw/zinc/30/39/50/1067303950.db2.gz KVSXWLKTJUTOKI-OAHLLOKOSA-N 0 0 454.162 4.901 20 0 JJADRN CC1(C)CC(=O)CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001453397291 1067304022 /nfs/dbraw/zinc/30/40/22/1067304022.db2.gz CSQXKCYHMCNQNS-UHFFFAOYSA-N 0 0 453.892 4.865 20 0 JJADRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001453398790 1067304079 /nfs/dbraw/zinc/30/40/79/1067304079.db2.gz RKJTUUBTECMMAS-OAQYLSRUSA-N 0 0 455.603 4.758 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1cc(Br)cnc1C1CC1 ZINC001459369363 1067304710 /nfs/dbraw/zinc/30/47/10/1067304710.db2.gz BNACPXWKXZGKJD-UHFFFAOYSA-N 0 0 452.308 4.896 20 0 JJADRN CC(C)(CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(F)(F)F ZINC001459370507 1067305311 /nfs/dbraw/zinc/30/53/11/1067305311.db2.gz DOGSXEPODCXRFB-UHFFFAOYSA-N 0 0 457.290 4.949 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453430910 1067305742 /nfs/dbraw/zinc/30/57/42/1067305742.db2.gz BKHNHSVQFMRLIW-HSZRJFAPSA-N 0 0 450.560 4.834 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)CC2=O)cc1 ZINC001459372926 1067306086 /nfs/dbraw/zinc/30/60/86/1067306086.db2.gz IKSDUQRSXMFCPO-CYBMUJFWSA-N 0 0 456.461 4.870 20 0 JJADRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459373463 1067306101 /nfs/dbraw/zinc/30/61/01/1067306101.db2.gz WICZTDYYFJOUIQ-SZNDQCEHSA-N 0 0 457.299 4.745 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)CC2=O)cc1 ZINC001459372934 1067306206 /nfs/dbraw/zinc/30/62/06/1067306206.db2.gz IKSDUQRSXMFCPO-ZDUSSCGKSA-N 0 0 456.461 4.870 20 0 JJADRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459373446 1067306239 /nfs/dbraw/zinc/30/62/39/1067306239.db2.gz WICZTDYYFJOUIQ-QKKBWIMNSA-N 0 0 457.299 4.745 20 0 JJADRN COCCN(CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373351 1067306336 /nfs/dbraw/zinc/30/63/36/1067306336.db2.gz BEOAVSMRQLMKAD-CVEARBPZSA-N 0 0 458.471 4.740 20 0 JJADRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001459372967 1067306409 /nfs/dbraw/zinc/30/64/09/1067306409.db2.gz IPRBZWPFCUGNDC-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN COC(=O)c1c(NC(=O)CN(Cc2ccccc2)Cc2ccc(F)cc2)sc2c1CCC2 ZINC001459374685 1067306905 /nfs/dbraw/zinc/30/69/05/1067306905.db2.gz LYUURCHWZNLUTP-UHFFFAOYSA-N 0 0 452.551 4.803 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)NCCCNC(=O)/C=C\c2ccccc2)n1 ZINC001459375786 1067307113 /nfs/dbraw/zinc/30/71/13/1067307113.db2.gz NSHKBNWIVYVTND-SEYXRHQNSA-N 0 0 451.617 4.693 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1OCCC ZINC001453458176 1067307243 /nfs/dbraw/zinc/30/72/43/1067307243.db2.gz BBJCGLLJJXUSFM-BJKOFHAPSA-N 0 0 451.563 4.529 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCN1C(=O)OC(C)(C)C ZINC001453476071 1067307805 /nfs/dbraw/zinc/30/78/05/1067307805.db2.gz FDRBVGNKPUPNRZ-UKRRQHHQSA-N 0 0 451.539 4.986 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480407 1067308080 /nfs/dbraw/zinc/30/80/80/1067308080.db2.gz VNFJEJPVYMNKCY-VWLOTQADSA-N 0 0 454.498 4.813 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)[nH]n2)c1C ZINC001453480021 1067308141 /nfs/dbraw/zinc/30/81/41/1067308141.db2.gz RWYOZAGCTHEZAQ-QRQCRPRQSA-N 0 0 453.562 4.992 20 0 JJADRN O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001453483025 1067308568 /nfs/dbraw/zinc/30/85/68/1067308568.db2.gz VCOQRWOMTJDJRB-IBGZPJMESA-N 0 0 456.867 4.551 20 0 JJADRN Cc1ccc2oc(CNC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4)c3)cc2c1 ZINC001453496567 1067309363 /nfs/dbraw/zinc/30/93/63/1067309363.db2.gz IAWFGOIOEIEGHR-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001459385331 1067309696 /nfs/dbraw/zinc/30/96/96/1067309696.db2.gz VDDOURIFNCHPNB-UHFFFAOYSA-N 0 0 459.346 4.669 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC001459383730 1067309706 /nfs/dbraw/zinc/30/97/06/1067309706.db2.gz PHDARMQPIMYMQT-UHFFFAOYSA-N 0 0 451.876 4.807 20 0 JJADRN CSc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC001459386274 1067310420 /nfs/dbraw/zinc/31/04/20/1067310420.db2.gz LVZAPYDBNNKJLY-OAHLLOKOSA-N 0 0 454.577 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Br)cc1 ZINC001453529131 1067310854 /nfs/dbraw/zinc/31/08/54/1067310854.db2.gz XXNCTHWSYNHQDH-CAAIWKOSSA-N 0 0 451.405 4.741 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1ccc2c(c1)CCOC2 ZINC001453524994 1067310954 /nfs/dbraw/zinc/31/09/54/1067310954.db2.gz IVXAXCJJTCIBJX-UHFFFAOYSA-N 0 0 457.596 4.891 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532284 1067311121 /nfs/dbraw/zinc/31/11/21/1067311121.db2.gz AUEFDPMJQMIDRI-GGAORHGYSA-N 0 0 456.608 4.526 20 0 JJADRN Brc1ccccc1[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CCO1 ZINC001459390421 1067311218 /nfs/dbraw/zinc/31/12/18/1067311218.db2.gz HOBWTOKJSFMYBS-GOSISDBHSA-N 0 0 455.146 4.514 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 ZINC001453534062 1067311436 /nfs/dbraw/zinc/31/14/36/1067311436.db2.gz JBBJRDRVYPWJDG-JTHBVZDNSA-N 0 0 470.978 4.825 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1C(F)(F)F ZINC001453535227 1067311846 /nfs/dbraw/zinc/31/18/46/1067311846.db2.gz BNGHWEZNKOHJNK-HIFRSBDPSA-N 0 0 459.896 4.987 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN(C)C[C@@H]3CCCO[C@H]3c3ccccc3)s2)cc1 ZINC001459394424 1067312035 /nfs/dbraw/zinc/31/20/35/1067312035.db2.gz RHHUJVUZZRSIRW-REWPJTCUSA-N 0 0 450.608 4.953 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453536512 1067312207 /nfs/dbraw/zinc/31/22/07/1067312207.db2.gz CKVNMIJSRDAVRV-WFASDCNBSA-N 0 0 450.885 4.514 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459395734 1067312448 /nfs/dbraw/zinc/31/24/48/1067312448.db2.gz WBWHXXNXVFTSGW-UHFFFAOYSA-N 0 0 456.558 4.684 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453544989 1067312845 /nfs/dbraw/zinc/31/28/45/1067312845.db2.gz NMTPGYSXRJQHHT-SQNIBIBYSA-N 0 0 458.521 4.704 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC001453543599 1067312944 /nfs/dbraw/zinc/31/29/44/1067312944.db2.gz MKXBDAGWMLUSLI-JQWIXIFHSA-N 0 0 456.292 4.554 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC001459399556 1067313119 /nfs/dbraw/zinc/31/31/19/1067313119.db2.gz MILJPQDTGLSEBR-UHFFFAOYSA-N 0 0 455.755 4.531 20 0 JJADRN COc1ccc(/C=C(/C(=O)NCc2cc(Br)cnc2OC)c2cccs2)cc1 ZINC001453546943 1067313115 /nfs/dbraw/zinc/31/31/15/1067313115.db2.gz BJFNVIZHEFXVFS-VCHYOVAHSA-N 0 0 459.365 4.780 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Br)cc2)O1 ZINC001546052622 1067313148 /nfs/dbraw/zinc/31/31/48/1067313148.db2.gz ZORXRASTLZZVAM-WMZHIEFXSA-N 0 0 485.430 4.524 20 0 JJADRN C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001459397124 1067313242 /nfs/dbraw/zinc/31/32/42/1067313242.db2.gz RQQAWIZBRQSWHE-GFCCVEGCSA-N 0 0 459.390 4.530 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453547608 1067313407 /nfs/dbraw/zinc/31/34/07/1067313407.db2.gz YHSGSYGRVDWCTG-RBUKOAKNSA-N 0 0 458.521 4.777 20 0 JJADRN CCOc1cccc(/C=C\C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453550582 1067314077 /nfs/dbraw/zinc/31/40/77/1067314077.db2.gz VJHNUTXLVWHSPD-WRAQBFHGSA-N 0 0 456.505 4.650 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1ccccc1SCc1csc(C)n1 ZINC001459404446 1067314300 /nfs/dbraw/zinc/31/43/00/1067314300.db2.gz OMCSKQCNNCTHAU-UHFFFAOYSA-N 0 0 459.662 4.892 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001453555632 1067314483 /nfs/dbraw/zinc/31/44/83/1067314483.db2.gz WBBFGGAPYAJWJQ-UHFFFAOYSA-N 0 0 452.308 4.899 20 0 JJADRN CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CCn1c2ccccc2c2ccccc21 ZINC001453553839 1067314538 /nfs/dbraw/zinc/31/45/38/1067314538.db2.gz KILFRDLDBWNSSZ-UHFFFAOYSA-N 0 0 453.583 4.527 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407590 1067314707 /nfs/dbraw/zinc/31/47/07/1067314707.db2.gz URBQICOXKXHQGC-URXFXBBRSA-N 0 0 451.611 4.988 20 0 JJADRN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cccnc1SCc1ccc(Br)cc1 ZINC001453566542 1067314962 /nfs/dbraw/zinc/31/49/62/1067314962.db2.gz XSHHOCGWWQKOQO-APWZRJJASA-N 0 0 469.351 4.681 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cnc3ccc(F)cc3c2)cc1 ZINC001459409697 1067315400 /nfs/dbraw/zinc/31/54/00/1067315400.db2.gz GFQHLFHFQHWGMP-UHFFFAOYSA-N 0 0 450.491 4.808 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)S4)ccc2C)c(C)c1 ZINC001453574751 1067315293 /nfs/dbraw/zinc/31/52/93/1067315293.db2.gz FLRGWDUPCRSKIG-RTWAWAEBSA-N 0 0 458.649 4.831 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N(c3ccc(CC(=O)N(C)C)cc3)C(C)C)cc2)c1 ZINC001459410277 1067315570 /nfs/dbraw/zinc/31/55/70/1067315570.db2.gz BIZRIRMRLQKEGF-UHFFFAOYSA-N 0 0 458.558 4.612 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453580018 1067315659 /nfs/dbraw/zinc/31/56/59/1067315659.db2.gz FOQAMDRRTGKSFM-RHSMWYFYSA-N 0 0 455.393 4.700 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Oc1cnc2c(Br)cccc2c1 ZINC001459409771 1067315824 /nfs/dbraw/zinc/31/58/24/1067315824.db2.gz GPIAAOMTOZWNRX-UHFFFAOYSA-N 0 0 452.102 4.691 20 0 JJADRN COc1cccc(OC)c1CC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F ZINC001459410309 1067315839 /nfs/dbraw/zinc/31/58/39/1067315839.db2.gz BQIFJPMUMMCRLG-UHFFFAOYSA-N 0 0 453.510 4.632 20 0 JJADRN C[C@@H]1CCCN(C(=O)CN[C@H](c2ccccc2)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453581680 1067316142 /nfs/dbraw/zinc/31/61/42/1067316142.db2.gz LKQNCTFVQLKVLM-YFVAEKQCSA-N 0 0 471.564 4.812 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(Br)s2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453581890 1067316207 /nfs/dbraw/zinc/31/62/07/1067316207.db2.gz OSNIJNKIYIAXMO-GDBMZVCRSA-N 0 0 459.450 4.985 20 0 JJADRN Cc1ccsc1CNC(=O)CN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459411957 1067316484 /nfs/dbraw/zinc/31/64/84/1067316484.db2.gz BCQNNIMPWMMZEV-RUZDIDTESA-N 0 0 454.039 4.733 20 0 JJADRN Cc1ccc2nc(CSCC(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)cn2c1 ZINC001453589177 1067316968 /nfs/dbraw/zinc/31/69/68/1067316968.db2.gz LYEOSIFBVYOIHI-TZIWHRDSSA-N 0 0 474.671 4.808 20 0 JJADRN COc1cc(/C=C(/C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccccc2)ccc1O ZINC001453596657 1067317104 /nfs/dbraw/zinc/31/71/04/1067317104.db2.gz MNFJFLWVIFFMQQ-FBQYSQIDSA-N 0 0 451.563 4.768 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC001459414109 1067317297 /nfs/dbraw/zinc/31/72/97/1067317297.db2.gz CRAPFVQBMWBHHL-UHFFFAOYSA-N 0 0 451.741 4.798 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)/C(C)=C/c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC001453600532 1067317406 /nfs/dbraw/zinc/31/74/06/1067317406.db2.gz GAIVQUXNBIDQJQ-ACCUITESSA-N 0 0 454.470 4.638 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C3)c2C(F)(F)F)cc1 ZINC001453601908 1067317578 /nfs/dbraw/zinc/31/75/78/1067317578.db2.gz WGNBOCWHJXOWEC-DOTOQJQBSA-N 0 0 451.489 4.639 20 0 JJADRN CCO[C@H]1COCC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001459415567 1067317662 /nfs/dbraw/zinc/31/76/62/1067317662.db2.gz FIRWSHNILYUKDN-UTKZUKDTSA-N 0 0 450.373 4.711 20 0 JJADRN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001459414764 1067317678 /nfs/dbraw/zinc/31/76/78/1067317678.db2.gz LXYCTMKICDVNLL-UHFFFAOYSA-N 0 0 457.958 4.626 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2SC)O1 ZINC001546053444 1067318005 /nfs/dbraw/zinc/31/80/05/1067318005.db2.gz AQDGZQMUKDMVLJ-PXDATVDWSA-N 0 0 451.640 4.970 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN(CC)Cc1cc(Br)ccc1F ZINC001459415185 1067318361 /nfs/dbraw/zinc/31/83/61/1067318361.db2.gz NJHQFOBZOAJZJF-UHFFFAOYSA-N 0 0 457.365 4.595 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NCCc2cccc3c2OC(F)(F)O3)cc1 ZINC001453609257 1067318929 /nfs/dbraw/zinc/31/89/29/1067318929.db2.gz VEFSPXGZFXMCAW-UHFFFAOYSA-N 0 0 458.486 4.857 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Oc2cc(F)c(Cl)cc2Br)CC1=O ZINC001459417084 1067319208 /nfs/dbraw/zinc/31/92/08/1067319208.db2.gz JEEURHYUKWTVDB-LLVKDONJSA-N 0 0 456.695 4.517 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@H](C)C1 ZINC001459418318 1067319588 /nfs/dbraw/zinc/31/95/88/1067319588.db2.gz YPYYTYIMLJVHBU-JOCHJYFZSA-N 0 0 459.590 4.714 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC001459418768 1067319679 /nfs/dbraw/zinc/31/96/79/1067319679.db2.gz MDNLIXGFARFCBS-OAHLLOKOSA-N 0 0 457.347 4.539 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)nc21 ZINC001459420795 1067320411 /nfs/dbraw/zinc/32/04/11/1067320411.db2.gz HMIZBCZRTCALAP-CABCVRRESA-N 0 0 450.402 4.741 20 0 JJADRN CC(C)COC(=O)N1CCCN([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001459421093 1067320446 /nfs/dbraw/zinc/32/04/46/1067320446.db2.gz RGMCHNDMSVICPJ-HXUWFJFHSA-N 0 0 455.624 4.965 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001459420662 1067320627 /nfs/dbraw/zinc/32/06/27/1067320627.db2.gz UAFVKWVASIKDGT-XZOQPEGZSA-N 0 0 457.618 4.573 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)O1 ZINC001546053730 1067320919 /nfs/dbraw/zinc/32/09/19/1067320919.db2.gz FCCPVUNQDMWHLH-DRMXPCRNSA-N 0 0 464.557 4.758 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546053818 1067320932 /nfs/dbraw/zinc/32/09/32/1067320932.db2.gz FVMSJPIFZRMDST-ATIYNZHBSA-N 0 0 488.076 4.565 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC001453674975 1067321258 /nfs/dbraw/zinc/32/12/58/1067321258.db2.gz JRLJVVFKYAMXKF-FKIZINRSSA-N 0 0 461.743 4.959 20 0 JJADRN CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453677300 1067321323 /nfs/dbraw/zinc/32/13/23/1067321323.db2.gz BFCHYNDGUAHXAR-YTFSRNRJSA-N 0 0 460.540 4.955 20 0 JJADRN Cc1ccc(C(=O)NCCOc2ccc(I)cc2)c(Cl)c1Cl ZINC001459422879 1067321309 /nfs/dbraw/zinc/32/13/09/1067321309.db2.gz CUVLOCFMOSFJBN-UHFFFAOYSA-N 0 0 450.103 4.715 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)C1=NN(c3ccc(F)cc3)[C@H](C(N)=O)C1)C(C)(C)C[C@@H]2C ZINC001459423637 1067321759 /nfs/dbraw/zinc/32/17/59/1067321759.db2.gz CXMOACAKRNWNRE-AOMKIAJQSA-N 0 0 450.558 4.688 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453686356 1067322239 /nfs/dbraw/zinc/32/22/39/1067322239.db2.gz JDVHGMQVBODCKL-OTUUDDROSA-N 0 0 479.621 4.746 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453686358 1067322371 /nfs/dbraw/zinc/32/23/71/1067322371.db2.gz JDVHGMQVBODCKL-QVGHQYEOSA-N 0 0 479.621 4.746 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546053922 1067322646 /nfs/dbraw/zinc/32/26/46/1067322646.db2.gz HAPSJSIRSKJPMJ-FDDCHVKYSA-N 0 0 497.453 4.725 20 0 JJADRN CC1CCN(c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](NC(=O)C(F)(F)F)C3)cc2)CC1 ZINC001453686984 1067322934 /nfs/dbraw/zinc/32/29/34/1067322934.db2.gz YSHUUMGQFLDBRJ-DHIUTWEWSA-N 0 0 473.539 4.600 20 0 JJADRN COc1ccc(Br)c(CC(=O)OCc2c(F)ccc(Br)c2F)c1 ZINC001459427455 1067323157 /nfs/dbraw/zinc/32/31/57/1067323157.db2.gz MJDITVDNUNKQHG-UHFFFAOYSA-N 0 0 450.073 4.784 20 0 JJADRN O=C(Oc1cc(F)c(Cl)cc1Br)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001459428162 1067323365 /nfs/dbraw/zinc/32/33/65/1067323365.db2.gz YZUNOMOGOJXMIF-MRXNPFEDSA-N 0 0 456.695 4.948 20 0 JJADRN Cc1cc(CCC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)ccc1Br ZINC001459428624 1067323406 /nfs/dbraw/zinc/32/34/06/1067323406.db2.gz VLUFYIVDLRXGET-UHFFFAOYSA-N 0 0 455.755 4.958 20 0 JJADRN C[C@@](CO)(NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001453703049 1067323468 /nfs/dbraw/zinc/32/34/68/1067323468.db2.gz TUEYXHRFDUKCIT-IBGZPJMESA-N 0 0 458.267 4.835 20 0 JJADRN C[C@](CO)(NC(=O)c1cc(Cl)c(Br)cc1F)c1cccc(C(F)(F)F)c1 ZINC001453699161 1067323587 /nfs/dbraw/zinc/32/35/87/1067323587.db2.gz NDAYQXCGAHBCJA-MRXNPFEDSA-N 0 0 454.645 4.898 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCCC2)O1 ZINC001546053992 1067323601 /nfs/dbraw/zinc/32/36/01/1067323601.db2.gz HVNNPUQVZZCBMH-LZCXECNNSA-N 0 0 491.677 4.705 20 0 JJADRN O=C(COc1ccc(C(=O)N2Cc3ccc(O)cc3C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001453698724 1067323720 /nfs/dbraw/zinc/32/37/20/1067323720.db2.gz PVBVTKPEVZYTQB-UHFFFAOYSA-N 0 0 456.420 4.585 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001453706034 1067324110 /nfs/dbraw/zinc/32/41/10/1067324110.db2.gz KLVCVUJZEMVHGQ-PKOBYXMFSA-N 0 0 453.366 4.717 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001453705993 1067324154 /nfs/dbraw/zinc/32/41/54/1067324154.db2.gz KLVCVUJZEMVHGQ-HKUYNNGSSA-N 0 0 453.366 4.717 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccc(F)cc3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546108895 1067324221 /nfs/dbraw/zinc/32/42/21/1067324221.db2.gz NMOBAKYYESTYED-UHFFFAOYSA-N 0 0 491.537 4.945 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)OCc2c(F)ccc(Br)c2F)CCSCC1 ZINC001459430003 1067324313 /nfs/dbraw/zinc/32/43/13/1067324313.db2.gz VIHPVMKBFMXJCG-UHFFFAOYSA-N 0 0 451.329 4.626 20 0 JJADRN Brc1cccc([C@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)c1 ZINC001459433918 1067324427 /nfs/dbraw/zinc/32/44/27/1067324427.db2.gz NRMCWJDRHCGGSP-GOSISDBHSA-N 0 0 455.146 4.514 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC001453720942 1067324409 /nfs/dbraw/zinc/32/44/09/1067324409.db2.gz UYAIVIYNRVMSKD-HSZRJFAPSA-N 0 0 450.579 4.714 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC001546054357 1067324680 /nfs/dbraw/zinc/32/46/80/1067324680.db2.gz MYAZZRIZYIWEOO-BKMJKUGQSA-N 0 0 488.076 4.830 20 0 JJADRN O=C(c1c(Cl)ccc(I)c1F)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001453733593 1067324739 /nfs/dbraw/zinc/32/47/39/1067324739.db2.gz IIGHWLNZEZMPON-MRXNPFEDSA-N 0 0 456.686 4.846 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546054364 1067324918 /nfs/dbraw/zinc/32/49/18/1067324918.db2.gz NEXOPWPTOJXQAR-AJTFRIOCSA-N 0 0 479.625 4.574 20 0 JJADRN COc1ccc2c(c1)CCCN(CC(=O)N(C)[C@@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435029 1067325010 /nfs/dbraw/zinc/32/50/10/1067325010.db2.gz CLOHWRQRRNXYDN-AREMUKBSSA-N 0 0 454.998 4.594 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001453738093 1067325151 /nfs/dbraw/zinc/32/51/51/1067325151.db2.gz MOGYGHFWXBGCQG-DEOSSOPVSA-N 0 0 452.595 4.912 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)o1 ZINC001453739752 1067325488 /nfs/dbraw/zinc/32/54/88/1067325488.db2.gz OUSONBOCENFVLO-LJQANCHMSA-N 0 0 458.555 4.585 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)CC2=O)c1 ZINC001459444257 1067325622 /nfs/dbraw/zinc/32/56/22/1067325622.db2.gz DHAONBQGDPRSRX-LBPRGKRZSA-N 0 0 458.889 4.995 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)O1 ZINC001546054412 1067325637 /nfs/dbraw/zinc/32/56/37/1067325637.db2.gz NTCCCIBEYLJMJZ-AOMKIAJQSA-N 0 0 466.552 4.586 20 0 JJADRN OCCN(Cc1cc(Cl)cc(Br)c1)Cc1cc(Br)ccc1F ZINC001459444682 1067326122 /nfs/dbraw/zinc/32/61/22/1067326122.db2.gz WNROTFGELNKAGM-UHFFFAOYSA-N 0 0 451.561 4.999 20 0 JJADRN O=C(CN1CCC(n2cc(Br)cn2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC001459448458 1067326160 /nfs/dbraw/zinc/32/61/60/1067326160.db2.gz FNSMZQNXRZWAQE-UHFFFAOYSA-N 0 0 455.356 4.714 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459450656 1067326568 /nfs/dbraw/zinc/32/65/68/1067326568.db2.gz OGBTUVPVBNBABZ-UHFFFAOYSA-N 0 0 457.401 4.586 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452993 1067326743 /nfs/dbraw/zinc/32/67/43/1067326743.db2.gz AZDKIGDRZLRWCC-HXUWFJFHSA-N 0 0 459.537 4.805 20 0 JJADRN C[C@@H](O)CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452984 1067326779 /nfs/dbraw/zinc/32/67/79/1067326779.db2.gz SYXICGMNTTZJCV-GOSISDBHSA-N 0 0 454.636 4.812 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546054594 1067327222 /nfs/dbraw/zinc/32/72/22/1067327222.db2.gz PLGSUFKIMAKMOM-SIKLNZKXSA-N 0 0 463.395 4.845 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1CCn2nccc2C1 ZINC001453763235 1067327378 /nfs/dbraw/zinc/32/73/78/1067327378.db2.gz IZEINQQTTBTPFG-UZKOGDIHSA-N 0 0 455.624 4.635 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCCCC1 ZINC001453770631 1067328364 /nfs/dbraw/zinc/32/83/64/1067328364.db2.gz MFSBDHYFAVZEKR-LJQANCHMSA-N 0 0 450.421 4.743 20 0 JJADRN CC(C)c1ccc(SCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 ZINC001459457094 1067328518 /nfs/dbraw/zinc/32/85/18/1067328518.db2.gz DHXJACMQWMBGSY-UHFFFAOYSA-N 0 0 452.624 4.722 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C3CC3)n(CC)n2)cc1 ZINC001459457993 1067328568 /nfs/dbraw/zinc/32/85/68/1067328568.db2.gz IILSABJGMNZQJK-HSZRJFAPSA-N 0 0 452.599 4.777 20 0 JJADRN Cn1c2cc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3)c(N3CCCCC3)cc2n(C)c1=O ZINC001459456910 1067328627 /nfs/dbraw/zinc/32/86/27/1067328627.db2.gz COTMSPFMLYEMPF-VOTSOKGWSA-N 0 0 459.377 4.826 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001453772580 1067329012 /nfs/dbraw/zinc/32/90/12/1067329012.db2.gz OYPQRTLUOBDZGV-CBZJRKILSA-N 0 0 458.324 4.762 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3n[nH]c(C(F)(F)F)c3-c3ccccc3)n[nH]2)cc1OC ZINC001453777101 1067329275 /nfs/dbraw/zinc/32/92/75/1067329275.db2.gz WXDPEECLKOZVBH-UHFFFAOYSA-N 0 0 457.412 4.755 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(-c2cn3c(n2)N(C(=O)CCc2cncs2)CCC3)c1 ZINC001453775365 1067329319 /nfs/dbraw/zinc/32/93/19/1067329319.db2.gz OPZMLXKLTUFJSY-UHFFFAOYSA-N 0 0 453.568 4.723 20 0 JJADRN CS(=O)(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 ZINC001459460883 1067329417 /nfs/dbraw/zinc/32/94/17/1067329417.db2.gz PSHWXMOZMWHLMS-IBGZPJMESA-N 0 0 457.617 4.906 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(C(F)(F)F)cc1 ZINC001459460684 1067329558 /nfs/dbraw/zinc/32/95/58/1067329558.db2.gz CESHSOGSNOWKRB-HNNXBMFYSA-N 0 0 454.876 4.639 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001453786883 1067329643 /nfs/dbraw/zinc/32/96/43/1067329643.db2.gz NHAYAYWOHVVTCS-HXUWFJFHSA-N 0 0 459.420 4.717 20 0 JJADRN COc1nsc(CNC(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)c1Br ZINC001453808271 1067330145 /nfs/dbraw/zinc/33/01/45/1067330145.db2.gz DFQKYKKLYKIDAI-UHFFFAOYSA-N 0 0 456.362 4.724 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001459461123 1067330108 /nfs/dbraw/zinc/33/01/08/1067330108.db2.gz AAZJUQKFGISKNB-RBUKOAKNSA-N 0 0 456.739 4.919 20 0 JJADRN COc1nsc(CNC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1Br ZINC001453799231 1067330171 /nfs/dbraw/zinc/33/01/71/1067330171.db2.gz JFTDKQVRPRVBIB-LCYFTJDESA-N 0 0 453.358 4.972 20 0 JJADRN CCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)cnn1CC(C)C ZINC001459463394 1067330349 /nfs/dbraw/zinc/33/03/49/1067330349.db2.gz HYVCKTGZPDRINB-JOCHJYFZSA-N 0 0 458.578 4.675 20 0 JJADRN COc1cc(/C=C/C(=O)N2CCc3cc(F)cc(C)c3C2)ccc1OCc1c(C)noc1C ZINC001459462360 1067330400 /nfs/dbraw/zinc/33/04/00/1067330400.db2.gz VMCXUUVDBMORPH-SOFGYWHQSA-N 0 0 450.510 4.925 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)O1 ZINC001546055198 1067330569 /nfs/dbraw/zinc/33/05/69/1067330569.db2.gz XZYMKKARVIHEDW-UMTXDNHDSA-N 0 0 483.657 4.628 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC001453817669 1067330644 /nfs/dbraw/zinc/33/06/44/1067330644.db2.gz TZKLZTDVMTYXPV-HNNXBMFYSA-N 0 0 458.946 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(F)c2F)[C@H](c2ccccc2Cl)C1 ZINC001459464050 1067331014 /nfs/dbraw/zinc/33/10/14/1067331014.db2.gz JQZFAGXRENGPKA-IBGZPJMESA-N 0 0 450.913 4.981 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546055228 1067331118 /nfs/dbraw/zinc/33/11/18/1067331118.db2.gz YFMRXFWINOWPME-CNISOWAESA-N 0 0 497.684 4.971 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546055276 1067331382 /nfs/dbraw/zinc/33/13/82/1067331382.db2.gz YVONSQRZEIGJHL-BWKNWUBXSA-N 0 0 471.552 4.849 20 0 JJADRN CC(=O)Nc1ccc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1 ZINC001459466554 1067331749 /nfs/dbraw/zinc/33/17/49/1067331749.db2.gz OJOJKWZUSVDOIJ-JOCHJYFZSA-N 0 0 455.530 4.527 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCC[C@@](C)(c3ccccc3)C2)cc1 ZINC001459466818 1067331779 /nfs/dbraw/zinc/33/17/79/1067331779.db2.gz NEWKHFRDVGRZBS-GDLZYMKVSA-N 0 0 455.602 4.917 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)O1 ZINC001546055339 1067331868 /nfs/dbraw/zinc/33/18/68/1067331868.db2.gz ZQCNHHJWKJNYHS-SDUSCBPUSA-N 0 0 461.050 4.662 20 0 JJADRN O=C(N[C@H]1CCN(C2CCCCC2)C1=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001453857673 1067332297 /nfs/dbraw/zinc/33/22/97/1067332297.db2.gz ALWTWRUHGFREOH-UCPLLFFYSA-N 0 0 454.517 4.878 20 0 JJADRN COc1cc(NCCNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc(OC)c1 ZINC001546055414 1067332335 /nfs/dbraw/zinc/33/23/35/1067332335.db2.gz BZDVEFRNEDKRPP-HSZRJFAPSA-N 0 0 458.917 4.845 20 0 JJADRN COC(=O)/C=C/c1ccc(OCCN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001459467842 1067332425 /nfs/dbraw/zinc/33/24/25/1067332425.db2.gz NCVIGUINWLIICQ-XBGMYJNYSA-N 0 0 454.325 4.771 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC001453860033 1067332505 /nfs/dbraw/zinc/33/25/05/1067332505.db2.gz FQGVSOSAOHMVFQ-KRWDZBQOSA-N 0 0 451.514 4.801 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2CCCCn2cc(Br)cn2)C1 ZINC001546109059 1067332872 /nfs/dbraw/zinc/33/28/72/1067332872.db2.gz SFUOVINIQLIHHS-SFHVURJKSA-N 0 0 479.467 4.628 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(=O)[nH]c(C(C)C)c2)cc1 ZINC001459471099 1067333159 /nfs/dbraw/zinc/33/31/59/1067333159.db2.gz YWLVSEAAKMMCAK-QFIPXVFZSA-N 0 0 453.583 4.907 20 0 JJADRN CCCCC[C@@H]1CCCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001453884867 1067334126 /nfs/dbraw/zinc/33/41/26/1067334126.db2.gz RMZNKWSYWORWQU-LJQANCHMSA-N 0 0 455.640 4.710 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1C ZINC001453888687 1067334681 /nfs/dbraw/zinc/33/46/81/1067334681.db2.gz HXEDQXBNQLETMH-WYRIXSBYSA-N 0 0 450.370 4.631 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001459478881 1067335180 /nfs/dbraw/zinc/33/51/80/1067335180.db2.gz RABWUVUDEZTJTN-FQEVSTJZSA-N 0 0 457.393 4.651 20 0 JJADRN COCCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)CC(F)(F)F ZINC001459479599 1067335210 /nfs/dbraw/zinc/33/52/10/1067335210.db2.gz ALAQMTWGHGJZRJ-UHFFFAOYSA-N 0 0 455.424 4.857 20 0 JJADRN CN(C[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478381 1067335389 /nfs/dbraw/zinc/33/53/89/1067335389.db2.gz NTKVVIQTCVINFO-OAHLLOKOSA-N 0 0 450.377 4.793 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)N[C@@H](CO)c1ccc(F)cc1F ZINC001453906166 1067335520 /nfs/dbraw/zinc/33/55/20/1067335520.db2.gz KIHHWZLJYSDPCI-INIZCTEOSA-N 0 0 452.217 4.529 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC001453924885 1067335535 /nfs/dbraw/zinc/33/55/35/1067335535.db2.gz COCXQTDGCYZZOO-GOSISDBHSA-N 0 0 451.748 4.643 20 0 JJADRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001459481320 1067335894 /nfs/dbraw/zinc/33/58/94/1067335894.db2.gz MCJVITWGEXDISD-RLWLMLJZSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3c(F)cc(Br)cc3F)C2)C1 ZINC001459484729 1067336132 /nfs/dbraw/zinc/33/61/32/1067336132.db2.gz MYTOVWREDRWVEA-FQEVSTJZSA-N 0 0 459.331 4.591 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Oc1ccc2oc(=O)oc2c1 ZINC001459481580 1067336140 /nfs/dbraw/zinc/33/61/40/1067336140.db2.gz QFHDBLXJCTVOLT-LBPRGKRZSA-N 0 0 452.244 4.555 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC001459481877 1067336331 /nfs/dbraw/zinc/33/63/31/1067336331.db2.gz JHKYNNOYLITTGR-GOSISDBHSA-N 0 0 453.583 4.623 20 0 JJADRN COC(=O)CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)Cc1ccc(F)c(F)c1 ZINC001459499721 1067339451 /nfs/dbraw/zinc/33/94/51/1067339451.db2.gz CSWJMIKMAFESBA-UHFFFAOYSA-N 0 0 456.276 4.887 20 0 JJADRN CC(C)(C)CN1CCC[C@@H](N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O ZINC001459504717 1067339717 /nfs/dbraw/zinc/33/97/17/1067339717.db2.gz UPTOARBDCSRKLD-RUZDIDTESA-N 0 0 453.602 4.564 20 0 JJADRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459505790 1067340180 /nfs/dbraw/zinc/34/01/80/1067340180.db2.gz XDPLLLUGFXSDRN-HNNXBMFYSA-N 0 0 452.502 4.618 20 0 JJADRN CC(C)(C)c1ccc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 ZINC001459504918 1067340342 /nfs/dbraw/zinc/34/03/42/1067340342.db2.gz SGKSHCBOCSEXOX-UHFFFAOYSA-N 0 0 458.624 4.620 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC001459507641 1067340608 /nfs/dbraw/zinc/34/06/08/1067340608.db2.gz IFSYRGFHYVXXJL-LJQANCHMSA-N 0 0 456.930 4.770 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001459509431 1067341270 /nfs/dbraw/zinc/34/12/70/1067341270.db2.gz FGCHKBYRICHGRX-HXUWFJFHSA-N 0 0 457.412 4.967 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)COc1cccc(I)c1 ZINC001459511198 1067341463 /nfs/dbraw/zinc/34/14/63/1067341463.db2.gz LGESJTMUOPQLKZ-UHFFFAOYSA-N 0 0 458.299 4.603 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC[C@H]3c3ccc(F)c(F)c3)n2)c1 ZINC001459514503 1067342366 /nfs/dbraw/zinc/34/23/66/1067342366.db2.gz QFBARDXFTDDCHY-FQEVSTJZSA-N 0 0 459.518 4.881 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CN(C)CC[C@H](C)O ZINC001459518763 1067343620 /nfs/dbraw/zinc/34/36/20/1067343620.db2.gz NQJCIPFIJDUREI-LBPRGKRZSA-N 0 0 459.395 4.540 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Nc3cc(OC)c(OC)c(C)c3OC)CC2(Cl)Cl)cc1 ZINC001459521444 1067343878 /nfs/dbraw/zinc/34/38/78/1067343878.db2.gz PCCNJONKMOHXHA-OAQYLSRUSA-N 0 0 454.350 4.874 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC001459526169 1067344672 /nfs/dbraw/zinc/34/46/72/1067344672.db2.gz ONDKNJKFHNDXAZ-FQEVSTJZSA-N 0 0 452.839 4.959 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(I)c(Cl)c2)oc1Br ZINC001459524873 1067344725 /nfs/dbraw/zinc/34/47/25/1067344725.db2.gz IFFNKBXWLDHCQU-UHFFFAOYSA-N 0 0 454.489 4.539 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)cs1 ZINC001459528640 1067345072 /nfs/dbraw/zinc/34/50/72/1067345072.db2.gz PPSFZDKHIPAASF-HXUWFJFHSA-N 0 0 455.502 4.644 20 0 JJADRN O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(I)c(Cl)c1 ZINC001459528082 1067345519 /nfs/dbraw/zinc/34/55/19/1067345519.db2.gz NRPSIFHOLQPGRZ-UHFFFAOYSA-N 0 0 450.707 4.594 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530529 1067345753 /nfs/dbraw/zinc/34/57/53/1067345753.db2.gz SGUDBABODUHUGQ-CQSZACIVSA-N 0 0 452.885 4.563 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(I)c(Cl)c1 ZINC001459529455 1067345785 /nfs/dbraw/zinc/34/57/85/1067345785.db2.gz RGIYHYGHLVDEPE-UHFFFAOYSA-N 0 0 454.670 4.870 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(I)c(Cl)c2)cc1-n1cccc1 ZINC001459530882 1067345946 /nfs/dbraw/zinc/34/59/46/1067345946.db2.gz SZMAJUVYIVTNRS-UHFFFAOYSA-N 0 0 450.707 4.974 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459530279 1067345963 /nfs/dbraw/zinc/34/59/63/1067345963.db2.gz OCYYDNJYIMFLTN-QFBILLFUSA-N 0 0 456.970 4.537 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(Br)c4cccnc34)CCC2=O)c1 ZINC001459531386 1067346176 /nfs/dbraw/zinc/34/61/76/1067346176.db2.gz WKPUUDUKHVHPRZ-UHFFFAOYSA-N 0 0 451.324 4.736 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2cccc(CSc3ccc(C)cc3C)c2)O1 ZINC001459531789 1067346400 /nfs/dbraw/zinc/34/64/00/1067346400.db2.gz YTCBGYOZFVJUAR-HWHRFOGPSA-N 0 0 453.604 4.919 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1)[C@@H]1CCCO1 ZINC001459532047 1067346650 /nfs/dbraw/zinc/34/66/50/1067346650.db2.gz XBDGRPLNVJFJGJ-NRFANRHFSA-N 0 0 457.368 4.586 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CN3CCCCC3=O)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC001459533985 1067346907 /nfs/dbraw/zinc/34/69/07/1067346907.db2.gz VFVMFHKFKTZBKX-LJQANCHMSA-N 0 0 450.579 4.657 20 0 JJADRN CN(CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC001459533119 1067346989 /nfs/dbraw/zinc/34/69/89/1067346989.db2.gz XOZMQYYWKWRFKO-UHFFFAOYSA-N 0 0 458.967 4.606 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459534022 1067347078 /nfs/dbraw/zinc/34/70/78/1067347078.db2.gz VPIJBOGTADVZJG-UFYCRDLUSA-N 0 0 452.595 4.758 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cs2)cc1 ZINC001459535726 1067347411 /nfs/dbraw/zinc/34/74/11/1067347411.db2.gz BVDZXWCBHPXGCO-IBGZPJMESA-N 0 0 451.567 4.867 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3C[C@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540929 1067347784 /nfs/dbraw/zinc/34/77/84/1067347784.db2.gz LLKFMWMEKQLJOQ-IAGOWNOFSA-N 0 0 455.624 4.947 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001459546446 1067348737 /nfs/dbraw/zinc/34/87/37/1067348737.db2.gz WRMHUKOSBDRNCR-UHFFFAOYSA-N 0 0 457.151 4.875 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001459550761 1067349067 /nfs/dbraw/zinc/34/90/67/1067349067.db2.gz RDJRCQFIWGGPJB-IAOVAPTHSA-N 0 0 458.126 4.800 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001459547446 1067349104 /nfs/dbraw/zinc/34/91/04/1067349104.db2.gz HLEUFMBQSHHHNG-BSLALVQMSA-N 0 0 457.442 4.936 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1SC ZINC001459558550 1067350938 /nfs/dbraw/zinc/35/09/38/1067350938.db2.gz JQGMTYJTOLROEF-IVCQMTBJSA-N 0 0 456.608 4.961 20 0 JJADRN CCN(CC1CCN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459560117 1067351368 /nfs/dbraw/zinc/35/13/68/1067351368.db2.gz KJOIRLBYFVQYSG-HXUWFJFHSA-N 0 0 453.986 4.553 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccccc3SC)cc2)c1 ZINC001459560375 1067351417 /nfs/dbraw/zinc/35/14/17/1067351417.db2.gz OZRGBUYBMFRXPF-KRWDZBQOSA-N 0 0 450.560 4.926 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC001459562071 1067351902 /nfs/dbraw/zinc/35/19/02/1067351902.db2.gz GEBABYGURNPFGN-UHFFFAOYSA-N 0 0 458.562 4.761 20 0 JJADRN Cc1ccc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)cc1N1CCNC1=O ZINC001459563223 1067352497 /nfs/dbraw/zinc/35/24/97/1067352497.db2.gz JNBZFVHUEDOARW-UHFFFAOYSA-N 0 0 458.946 4.706 20 0 JJADRN C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](c2ccco2)C1 ZINC001459564947 1067352781 /nfs/dbraw/zinc/35/27/81/1067352781.db2.gz QGVJWJSGRRKXSL-HTAPYJJXSA-N 0 0 456.539 4.663 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001459566104 1067353124 /nfs/dbraw/zinc/35/31/24/1067353124.db2.gz BIFULJGUSLMKNM-FQEVSTJZSA-N 0 0 455.967 4.563 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)CCOCC2)cc1C ZINC001459566592 1067353522 /nfs/dbraw/zinc/35/35/22/1067353522.db2.gz XYKYHIVRKSMHJQ-NRFANRHFSA-N 0 0 457.412 4.509 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001459567492 1067354228 /nfs/dbraw/zinc/35/42/28/1067354228.db2.gz FYRLXZXBJRJODV-UHFFFAOYSA-N 0 0 459.775 4.665 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459569024 1067354518 /nfs/dbraw/zinc/35/45/18/1067354518.db2.gz KDQOQVUVJLQNIW-JTQLQIEISA-N 0 0 454.296 4.554 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571472 1067354808 /nfs/dbraw/zinc/35/48/08/1067354808.db2.gz BDZITCUMOLLVOE-HIFRSBDPSA-N 0 0 458.550 4.588 20 0 JJADRN CSC1(CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CCC1 ZINC001459571974 1067354841 /nfs/dbraw/zinc/35/48/41/1067354841.db2.gz OMYMUTUQHRXKDD-UHFFFAOYSA-N 0 0 454.852 4.893 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575257 1067355540 /nfs/dbraw/zinc/35/55/40/1067355540.db2.gz AIOJKDXKNIZWJG-OAHLLOKOSA-N 0 0 451.386 4.532 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001459578141 1067355720 /nfs/dbraw/zinc/35/57/20/1067355720.db2.gz SGOZGSQTTZTRPG-VWLOTQADSA-N 0 0 458.002 4.846 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001459575593 1067355751 /nfs/dbraw/zinc/35/57/51/1067355751.db2.gz VUCZTFGKJDKXHI-UHFFFAOYSA-N 0 0 459.384 4.643 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(OC)c(Br)n1 ZINC001459578363 1067355920 /nfs/dbraw/zinc/35/59/20/1067355920.db2.gz OLVTZPNDVSFNQA-GFCCVEGCSA-N 0 0 454.162 4.592 20 0 JJADRN O=C(c1ccccc1-c1ccncc1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459581925 1067356664 /nfs/dbraw/zinc/35/66/64/1067356664.db2.gz ANRAMFMCVVWXKI-UHFFFAOYSA-N 0 0 454.343 4.608 20 0 JJADRN O=C(c1cncc(-c2ccccc2)c1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459583409 1067356949 /nfs/dbraw/zinc/35/69/49/1067356949.db2.gz FPDVVBOAFZCBEI-UHFFFAOYSA-N 0 0 454.343 4.608 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC001459582469 1067357155 /nfs/dbraw/zinc/35/71/55/1067357155.db2.gz IGHOOLBMMQFOBH-SIKLNZKXSA-N 0 0 455.352 4.848 20 0 JJADRN Cc1c(C(=O)Nc2cc3c(cc2Br)CCC3)nnn1-c1ccc(OC(C)C)cc1 ZINC001459584888 1067357562 /nfs/dbraw/zinc/35/75/62/1067357562.db2.gz HPEHBOYMZVPKIR-UHFFFAOYSA-N 0 0 455.356 4.866 20 0 JJADRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1NC(=O)OC(C)(C)C ZINC001459584244 1067357640 /nfs/dbraw/zinc/35/76/40/1067357640.db2.gz FYVGKELNTZCJGK-UHFFFAOYSA-N 0 0 459.974 4.762 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC001459586540 1067357996 /nfs/dbraw/zinc/35/79/96/1067357996.db2.gz YWDJTTOHZIDTIA-HNNXBMFYSA-N 0 0 458.322 4.731 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1 ZINC001459588749 1067358327 /nfs/dbraw/zinc/35/83/27/1067358327.db2.gz TUIQWTVLGUWPNN-GFCCVEGCSA-N 0 0 457.281 4.740 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(F)(F)c1ccccc1Br ZINC001459588354 1067358374 /nfs/dbraw/zinc/35/83/74/1067358374.db2.gz BGAANDDPIPTGHO-CYBMUJFWSA-N 0 0 453.283 4.717 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001459590493 1067358606 /nfs/dbraw/zinc/35/86/06/1067358606.db2.gz RSAYKDUMOIATMR-LHSJRXKWSA-N 0 0 455.313 4.887 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccc(SC)cc2)nnc1-c1ccccc1 ZINC001459588809 1067358712 /nfs/dbraw/zinc/35/87/12/1067358712.db2.gz SUUCVCUPVCOJPQ-SJORKVTESA-N 0 0 456.637 4.844 20 0 JJADRN CSc1ncc(C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1-c1ccc(F)cc1 ZINC001459598598 1067360254 /nfs/dbraw/zinc/36/02/54/1067360254.db2.gz QZQPJMXQYSFLHM-HNNXBMFYSA-N 0 0 454.527 4.523 20 0 JJADRN CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c2occc21 ZINC001459600769 1067360834 /nfs/dbraw/zinc/36/08/34/1067360834.db2.gz YYQLHBINAJKEBG-UHFFFAOYSA-N 0 0 457.914 4.593 20 0 JJADRN Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1C(=O)N(C)C(C)C ZINC001459601031 1067360886 /nfs/dbraw/zinc/36/08/86/1067360886.db2.gz ZONZMKSSWGMHNY-UHFFFAOYSA-N 0 0 456.546 4.954 20 0 JJADRN O=C(CN1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604638 1067361301 /nfs/dbraw/zinc/36/13/01/1067361301.db2.gz SYHKUYBROVSCGT-XMMPIXPASA-N 0 0 457.574 4.601 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC001459607381 1067362050 /nfs/dbraw/zinc/36/20/50/1067362050.db2.gz CWJJSOLKTRPYHM-IBGZPJMESA-N 0 0 456.384 4.992 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610422 1067363097 /nfs/dbraw/zinc/36/30/97/1067363097.db2.gz APJCTOYAPXYRDU-RHSMWYFYSA-N 0 0 453.366 4.881 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001459611063 1067363832 /nfs/dbraw/zinc/36/38/32/1067363832.db2.gz UCUNSXZOTVTVCI-UHFFFAOYSA-N 0 0 455.555 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C(C)(C)C1 ZINC001459613077 1067364023 /nfs/dbraw/zinc/36/40/23/1067364023.db2.gz KBUJTJXZFHFPQH-UHFFFAOYSA-N 0 0 450.377 4.935 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3CCC[C@H]3c3ccc(Br)c(C)c3)CCC2=O)c1 ZINC001459614221 1067364479 /nfs/dbraw/zinc/36/44/79/1067364479.db2.gz AVJLMGWUVXBBPP-NRFANRHFSA-N 0 0 454.368 4.912 20 0 JJADRN CC(C)n1nc(-c2ccco2)cc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC001459614201 1067364650 /nfs/dbraw/zinc/36/46/50/1067364650.db2.gz IWCMMHNEUKFOQB-UHFFFAOYSA-N 0 0 455.565 4.604 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CCC(F)(F)F)cc1C(F)(F)F ZINC001459615161 1067364896 /nfs/dbraw/zinc/36/48/96/1067364896.db2.gz AFDXPRVLODFEDX-UHFFFAOYSA-N 0 0 453.404 4.534 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)C=Cc3ccccc3OCc3ccccc3)c2)C1=O ZINC001459615259 1067365084 /nfs/dbraw/zinc/36/50/84/1067365084.db2.gz IQEHTUCVIPAPDP-NXVVXOECSA-N 0 0 455.514 4.752 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459615908 1067365253 /nfs/dbraw/zinc/36/52/53/1067365253.db2.gz PBYGSTVYZWFAEI-LUZMIZLMSA-N 0 0 451.611 4.879 20 0 JJADRN O=C(CCC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)NC(c1ccccc1)c1ccccc1 ZINC001459617014 1067365297 /nfs/dbraw/zinc/36/52/97/1067365297.db2.gz GZLROVCHXKNOCG-SIKLNZKXSA-N 0 0 452.476 4.762 20 0 JJADRN Cc1cc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc(C)c1OC(F)F ZINC001459618514 1067365554 /nfs/dbraw/zinc/36/55/54/1067365554.db2.gz RFCJEUDAKNYOOH-UHFFFAOYSA-N 0 0 455.505 4.954 20 0 JJADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CCO[C@H](c2ccco2)C1 ZINC001459630018 1067368234 /nfs/dbraw/zinc/36/82/34/1067368234.db2.gz IOUVJXXHGHOXEW-IBGZPJMESA-N 0 0 454.548 4.505 20 0 JJADRN CCN(C[C@H]1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631156 1067368826 /nfs/dbraw/zinc/36/88/26/1067368826.db2.gz KSFIVNGDKSIZQT-IAGOWNOFSA-N 0 0 454.562 4.652 20 0 JJADRN O=C(CN1CCN(c2cc(F)ccc2F)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459633179 1067368892 /nfs/dbraw/zinc/36/88/92/1067368892.db2.gz IDOVBNZOXISWKP-RUZDIDTESA-N 0 0 455.936 4.646 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1oc2ccccc2c1Br ZINC001459632295 1067368971 /nfs/dbraw/zinc/36/89/71/1067368971.db2.gz PKIWKNBQBDIAMK-HNNXBMFYSA-N 0 0 450.716 4.753 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(Cl)cc1Br ZINC001459637072 1067369521 /nfs/dbraw/zinc/36/95/21/1067369521.db2.gz XXEOUYKGZIWHMK-KRWDZBQOSA-N 0 0 459.167 4.589 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643800 1067370512 /nfs/dbraw/zinc/37/05/12/1067370512.db2.gz UNNPWGOLZHSGHK-IAGOWNOFSA-N 0 0 455.624 4.947 20 0 JJADRN CC1(C)C[C@@H](C(=O)NCc2ccc(Cl)cc2I)c2ccccc2O1 ZINC001459641643 1067370607 /nfs/dbraw/zinc/37/06/07/1067370607.db2.gz BGIXJSCVICWSKF-OAHLLOKOSA-N 0 0 455.723 4.906 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001459644609 1067370918 /nfs/dbraw/zinc/37/09/18/1067370918.db2.gz PEOKATKUSIZAIY-YLJYHZDGSA-N 0 0 451.735 4.855 20 0 JJADRN Cc1nc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)sc1Cc1cccc(Cl)c1F ZINC001459647190 1067371103 /nfs/dbraw/zinc/37/11/03/1067371103.db2.gz FBVLAMJHYAPMFP-UHFFFAOYSA-N 0 0 456.930 4.527 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)NCc1ccc(Cl)cc1I ZINC001459648247 1067371256 /nfs/dbraw/zinc/37/12/56/1067371256.db2.gz YIBUKWJNFCZSMG-UHFFFAOYSA-N 0 0 459.711 4.672 20 0 JJADRN Cc1nc(NC(=O)c2cc3c(cc2Cl)NC(=O)C3)sc1Cc1ccc(F)c(F)c1F ZINC001459652290 1067372275 /nfs/dbraw/zinc/37/22/75/1067372275.db2.gz RRLGOWZQKXYNPS-UHFFFAOYSA-N 0 0 451.857 4.860 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](c3ccc(C)cc3)[C@H](C)S(C)(=O)=O)sc2C)cc1 ZINC001459653745 1067372511 /nfs/dbraw/zinc/37/25/11/1067372511.db2.gz JSNCPWSVSGKDEV-GAJHUEQPSA-N 0 0 457.617 4.945 20 0 JJADRN Fc1ccccc1CC1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001459654779 1067372534 /nfs/dbraw/zinc/37/25/34/1067372534.db2.gz JEILVSQKZOMKLK-UHFFFAOYSA-N 0 0 453.871 4.928 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CN2CCN(Cc3ccccc3Cl)CC2)cs1 ZINC001459657940 1067373601 /nfs/dbraw/zinc/37/36/01/1067373601.db2.gz VXBBUIKRPVWVLW-UHFFFAOYSA-N 0 0 455.027 4.604 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001546110845 1067374137 /nfs/dbraw/zinc/37/41/37/1067374137.db2.gz PTAMBVYQLOSZRF-UHFFFAOYSA-N 0 0 474.531 4.773 20 0 JJADRN COc1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OCc1cscn1 ZINC001459660860 1067374574 /nfs/dbraw/zinc/37/45/74/1067374574.db2.gz AYLVWDOAGAAHQR-UHFFFAOYSA-N 0 0 454.523 4.605 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3ccc(Cl)cc3F)ccc2Cl)C1 ZINC001459661697 1067374587 /nfs/dbraw/zinc/37/45/87/1067374587.db2.gz SGWZYTHGBLBDKO-CYBMUJFWSA-N 0 0 459.370 4.830 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3ccc(Cl)cc3F)ccc2Cl)C1 ZINC001459661702 1067374697 /nfs/dbraw/zinc/37/46/97/1067374697.db2.gz SGWZYTHGBLBDKO-ZDUSSCGKSA-N 0 0 459.370 4.830 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)C1CCCC1 ZINC001459661416 1067374708 /nfs/dbraw/zinc/37/47/08/1067374708.db2.gz LMUJPNMCDKISQY-QGZVFWFLSA-N 0 0 459.812 4.845 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cc2)c1 ZINC001459666975 1067376711 /nfs/dbraw/zinc/37/67/11/1067376711.db2.gz MQWRHTYLXUTIAQ-YADHBBJMSA-N 0 0 450.485 4.812 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001459668910 1067378048 /nfs/dbraw/zinc/37/80/48/1067378048.db2.gz YPFURBNSIKZYLP-UHFFFAOYSA-N 0 0 451.350 4.836 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC001459672861 1067379101 /nfs/dbraw/zinc/37/91/01/1067379101.db2.gz SRGTXCZOAYLXRD-KRWDZBQOSA-N 0 0 451.032 4.714 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1NC(=O)c1ccccc1F ZINC001459676166 1067380755 /nfs/dbraw/zinc/38/07/55/1067380755.db2.gz YQJQZRYJSQGABF-HXUWFJFHSA-N 0 0 459.521 4.512 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1)c1ccccc1 ZINC001459676189 1067380983 /nfs/dbraw/zinc/38/09/83/1067380983.db2.gz ZCFORFMFZFSWJA-CYBMUJFWSA-N 0 0 455.274 4.593 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)OCc1csc(C(F)(F)F)n1 ZINC001459677635 1067381204 /nfs/dbraw/zinc/38/12/04/1067381204.db2.gz JTEPYSXMWXOTTN-GFCCVEGCSA-N 0 0 452.292 4.863 20 0 JJADRN Cc1cccc(CN(Cc2ccco2)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 ZINC001459678681 1067381355 /nfs/dbraw/zinc/38/13/55/1067381355.db2.gz YFFLZXGAIICHAL-UHFFFAOYSA-N 0 0 450.539 4.711 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)c2ccccc21 ZINC001459680129 1067381857 /nfs/dbraw/zinc/38/18/57/1067381857.db2.gz FXHXNLLZUZOSHI-NRFANRHFSA-N 0 0 458.599 4.983 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001459681459 1067382080 /nfs/dbraw/zinc/38/20/80/1067382080.db2.gz VDQWRMLSJRLNNJ-UHFFFAOYSA-N 0 0 452.467 4.535 20 0 JJADRN O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001459681838 1067382269 /nfs/dbraw/zinc/38/22/69/1067382269.db2.gz CUHRSBQSOIFUAW-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC001459684368 1067382470 /nfs/dbraw/zinc/38/24/70/1067382470.db2.gz BVIWWJQTQOWQPR-UHFFFAOYSA-N 0 0 454.939 4.927 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)[C@@H]1C ZINC001459684676 1067382911 /nfs/dbraw/zinc/38/29/11/1067382911.db2.gz SJDKHQWVTCBFAM-UPJWGTAASA-N 0 0 459.310 4.851 20 0 JJADRN O=C(CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)Nc1cc(Cl)ccc1F ZINC001459686886 1067383364 /nfs/dbraw/zinc/38/33/64/1067383364.db2.gz NKBFTLNSLXQPMD-UHFFFAOYSA-N 0 0 455.917 4.605 20 0 JJADRN Nc1c(N(CCCCc2ccccc2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC001459688488 1067384239 /nfs/dbraw/zinc/38/42/39/1067384239.db2.gz BPDXEKGOVKHOKY-UHFFFAOYSA-N 0 0 454.574 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001459690742 1067384943 /nfs/dbraw/zinc/38/49/43/1067384943.db2.gz XWVOPLVHDYGOBT-HNNXBMFYSA-N 0 0 452.420 4.933 20 0 JJADRN COc1ccc(C(NC(=O)CN2CCCc3cc(F)c(F)cc32)c2ccc(OC)cc2)cc1 ZINC001459692162 1067385402 /nfs/dbraw/zinc/38/54/02/1067385402.db2.gz USEKGSJDQNZEEW-UHFFFAOYSA-N 0 0 452.501 4.640 20 0 JJADRN CCCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H](C)C(=O)Nc1ccccc1C ZINC001459693359 1067385857 /nfs/dbraw/zinc/38/58/57/1067385857.db2.gz LOPGGAJMRGSKGD-GOSISDBHSA-N 0 0 454.571 4.545 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)CN3CCCC[C@H]3c3ccc(F)cc3F)CC2)cc1 ZINC001459696253 1067386987 /nfs/dbraw/zinc/38/69/87/1067386987.db2.gz RNLUIOGXCMINEM-SANMLTNESA-N 0 0 455.593 4.960 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC001459701832 1067388493 /nfs/dbraw/zinc/38/84/93/1067388493.db2.gz RXPDHXFJXJAEJV-HNNXBMFYSA-N 0 0 454.315 4.605 20 0 JJADRN Cc1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1Br ZINC001459702945 1067388631 /nfs/dbraw/zinc/38/86/31/1067388631.db2.gz YCLBBTBUUURFEU-OAHLLOKOSA-N 0 0 457.368 4.572 20 0 JJADRN CN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC001459701716 1067388686 /nfs/dbraw/zinc/38/86/86/1067388686.db2.gz QVEZCKPARNJJNN-UHFFFAOYSA-N 0 0 459.880 4.920 20 0 JJADRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)CSc1ccc(Br)cc1 ZINC001459704006 1067388791 /nfs/dbraw/zinc/38/87/91/1067388791.db2.gz XOQPGORWBLMLNS-INIZCTEOSA-N 0 0 456.409 4.827 20 0 JJADRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)CSc1ccc(Br)cc1 ZINC001459704007 1067388979 /nfs/dbraw/zinc/38/89/79/1067388979.db2.gz XOQPGORWBLMLNS-MRXNPFEDSA-N 0 0 456.409 4.827 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)CCSc1ccccc1F)c1ccc(Br)cc1C ZINC001459703923 1067389054 /nfs/dbraw/zinc/38/90/54/1067389054.db2.gz JZTOBGIDMDLOOX-AWEZNQCLSA-N 0 0 454.361 4.974 20 0 JJADRN O=C(CN1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)Nc1ccc(Cl)cn1 ZINC001459706759 1067389173 /nfs/dbraw/zinc/38/91/73/1067389173.db2.gz LJXBMBNDHBYFDS-UHFFFAOYSA-N 0 0 453.905 4.909 20 0 JJADRN CCn1c2nnc(CN[C@@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)n2c2ccccc2c1=O ZINC001459706506 1067389399 /nfs/dbraw/zinc/38/93/99/1067389399.db2.gz ITUWSQQIEDZQKM-FQEVSTJZSA-N 0 0 457.500 4.755 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC001459708866 1067390191 /nfs/dbraw/zinc/39/01/91/1067390191.db2.gz ADCODQIOLDEARK-UHFFFAOYSA-N 0 0 456.430 4.635 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC001459709802 1067391314 /nfs/dbraw/zinc/39/13/14/1067391314.db2.gz HXQWJPOOLFLKGK-UHFFFAOYSA-N 0 0 456.409 4.911 20 0 JJADRN O=C(Nc1nc2ccc(Cl)nc2s1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001459711535 1067391547 /nfs/dbraw/zinc/39/15/47/1067391547.db2.gz JLSVXMYMFGNTQY-HNNXBMFYSA-N 0 0 451.777 4.883 20 0 JJADRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N(CCc1ccccn1)Cc1cccnc1 ZINC001459710651 1067391560 /nfs/dbraw/zinc/39/15/60/1067391560.db2.gz NXGHEMKLAVKGAV-UHFFFAOYSA-N 0 0 451.452 4.566 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)ccc1F ZINC001459710661 1067391685 /nfs/dbraw/zinc/39/16/85/1067391685.db2.gz OJIZWLXELLXPAZ-UHFFFAOYSA-N 0 0 450.514 4.848 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(Br)cc1C ZINC001459713748 1067392513 /nfs/dbraw/zinc/39/25/13/1067392513.db2.gz UNKQHRIOYPYUDO-OAUYIBNBSA-N 0 0 452.295 4.734 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716597 1067394114 /nfs/dbraw/zinc/39/41/14/1067394114.db2.gz CSUXSIVFPWTHLU-VQIMIIECSA-N 0 0 459.612 4.722 20 0 JJADRN Cc1cc(C)cc(OCc2noc(CN[C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)n2)c1 ZINC001459716758 1067394393 /nfs/dbraw/zinc/39/43/93/1067394393.db2.gz GWWYKVJKYGJXFD-UQBPGWFLSA-N 0 0 458.603 4.829 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716504 1067394435 /nfs/dbraw/zinc/39/44/35/1067394435.db2.gz LUSUSCVJXQXCMQ-KBMIEXCESA-N 0 0 450.579 4.665 20 0 JJADRN COCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1 ZINC001459719105 1067395083 /nfs/dbraw/zinc/39/50/83/1067395083.db2.gz WQWUAPFHJBJBGJ-UHFFFAOYSA-N 0 0 459.502 4.792 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2CCCc3c(C)ccc(OC)c32)sc2c1CC[C@H](C)C2 ZINC001459722986 1067395966 /nfs/dbraw/zinc/39/59/66/1067395966.db2.gz SBTDKZPZEVZGFB-HNNXBMFYSA-N 0 0 456.608 4.758 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)O[C@H](c1nc2ccccc2o1)C(F)(F)F ZINC001459725133 1067396649 /nfs/dbraw/zinc/39/66/49/1067396649.db2.gz GNSLHMJNAQVLEP-OAHLLOKOSA-N 0 0 453.373 4.956 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC001459727132 1067397208 /nfs/dbraw/zinc/39/72/08/1067397208.db2.gz OULXIJMHYUPTJK-IAGOWNOFSA-N 0 0 451.348 4.642 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459726643 1067397218 /nfs/dbraw/zinc/39/72/18/1067397218.db2.gz BGNRIFPJFMRFLM-QOKNQOGYSA-N 0 0 458.430 4.874 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC001459727133 1067397338 /nfs/dbraw/zinc/39/73/38/1067397338.db2.gz OULXIJMHYUPTJK-IRXDYDNUSA-N 0 0 451.348 4.642 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ccc(Br)cc1 ZINC001459727486 1067397496 /nfs/dbraw/zinc/39/74/96/1067397496.db2.gz RNVDBSDLBIGTKD-LBPRGKRZSA-N 0 0 458.137 4.805 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001459729859 1067398213 /nfs/dbraw/zinc/39/82/13/1067398213.db2.gz OHHCDKNQOHGYMT-CQSZACIVSA-N 0 0 455.798 4.962 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001459729871 1067398341 /nfs/dbraw/zinc/39/83/41/1067398341.db2.gz OMSMFUZUBCKUDP-GFCCVEGCSA-N 0 0 452.329 4.882 20 0 JJADRN Cc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)ccc1Oc1ccncc1 ZINC001459729861 1067398437 /nfs/dbraw/zinc/39/84/37/1067398437.db2.gz OKFDHVALXDNEEO-UHFFFAOYSA-N 0 0 457.939 4.628 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)ccc1Oc1ccncc1 ZINC001459730470 1067398595 /nfs/dbraw/zinc/39/85/95/1067398595.db2.gz UIIZGWCNDIPILE-HXUWFJFHSA-N 0 0 453.951 4.990 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCCc2ccccc2Br)CC1 ZINC001459731660 1067398807 /nfs/dbraw/zinc/39/88/07/1067398807.db2.gz JPEVEICUODXTCI-UHFFFAOYSA-N 0 0 453.174 4.611 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1Cl)C(C)C ZINC001459734968 1067399433 /nfs/dbraw/zinc/39/94/33/1067399433.db2.gz FYAPPGZCRYCRQX-SFHVURJKSA-N 0 0 455.986 4.819 20 0 JJADRN Cc1nc(-c2cccs2)c(CC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)s1 ZINC001459736972 1067399638 /nfs/dbraw/zinc/39/96/38/1067399638.db2.gz MNZWJIDGNFTTRU-HSZRJFAPSA-N 0 0 455.605 4.640 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)o1 ZINC001459738212 1067399987 /nfs/dbraw/zinc/39/99/87/1067399987.db2.gz IYVULDJFKYRTAP-UHFFFAOYSA-N 0 0 456.926 4.847 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C)c(-c2cnn(C)c2)c1)C1CC1 ZINC001459737448 1067400098 /nfs/dbraw/zinc/40/00/98/1067400098.db2.gz AKSAYPOQQQIQLT-HSZRJFAPSA-N 0 0 451.954 4.958 20 0 JJADRN C[C@]1(NC(=O)c2ccc(Br)c(Cl)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739199 1067400372 /nfs/dbraw/zinc/40/03/72/1067400372.db2.gz VRWGMHKIZFQIHP-FQEVSTJZSA-N 0 0 451.748 4.634 20 0 JJADRN C[C@]1(NC(=O)CCCc2ccccc2Br)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739488 1067400453 /nfs/dbraw/zinc/40/04/53/1067400453.db2.gz WTZYRBYLIGSKGN-QHCPKHFHSA-N 0 0 459.384 4.689 20 0 JJADRN COCCN(C(=O)c1csc(-c2cc(Br)ccc2OC)n1)[C@@H]1CC[C@@H](C)C1 ZINC001459739301 1067400467 /nfs/dbraw/zinc/40/04/67/1067400467.db2.gz HSFRHYBMLNWSTQ-UKRRQHHQSA-N 0 0 453.402 4.858 20 0 JJADRN CC(C)Cc1ncc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cn1 ZINC001459739668 1067400906 /nfs/dbraw/zinc/40/09/06/1067400906.db2.gz IZQCTGCIZVRBPT-UHFFFAOYSA-N 0 0 453.340 4.942 20 0 JJADRN CN(C)C(=O)CN(C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC001459739593 1067400926 /nfs/dbraw/zinc/40/09/26/1067400926.db2.gz HUGXRZGHCCHLQM-HSZRJFAPSA-N 0 0 453.380 4.744 20 0 JJADRN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc(Br)cs2)CC1 ZINC001459739708 1067400979 /nfs/dbraw/zinc/40/09/79/1067400979.db2.gz BMLWIITUSQAXBE-UHFFFAOYSA-N 0 0 459.207 4.519 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1 ZINC001459741492 1067402057 /nfs/dbraw/zinc/40/20/57/1067402057.db2.gz KPLKQXWRTWLYCK-UHFFFAOYSA-N 0 0 452.620 4.568 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)[C@@H](C)C(F)(F)F ZINC001459744533 1067403486 /nfs/dbraw/zinc/40/34/86/1067403486.db2.gz DOXDSPYBLUQCBF-AWEZNQCLSA-N 0 0 452.477 4.965 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(CN(Cc1ccccc1Br)C(C)(C)C)[nH]c2=O ZINC001459745447 1067404036 /nfs/dbraw/zinc/40/40/36/1067404036.db2.gz FKQMDQSDMPTWRI-UHFFFAOYSA-N 0 0 458.356 4.685 20 0 JJADRN CCc1ccccc1Nc1nc(N)nc(CN2CCCc3cc(Br)cc(C)c32)n1 ZINC001459752796 1067406958 /nfs/dbraw/zinc/40/69/58/1067406958.db2.gz ISTLJZIHZBWLDU-UHFFFAOYSA-N 0 0 453.388 4.784 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)nc2C(F)(F)F)C1)OCc1ccccc1 ZINC001459754722 1067407852 /nfs/dbraw/zinc/40/78/52/1067407852.db2.gz MCNOVEGRLRRJFL-OAHLLOKOSA-N 0 0 455.864 4.532 20 0 JJADRN O=C(c1ccc(F)cc1I)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001459754356 1067407965 /nfs/dbraw/zinc/40/79/65/1067407965.db2.gz KHDPHQRWPKBSPL-UHFFFAOYSA-N 0 0 454.670 4.694 20 0 JJADRN CN(CC(=O)NCc1ccccc1COc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC001459755325 1067408544 /nfs/dbraw/zinc/40/85/44/1067408544.db2.gz KPDXKAWZZOSKKM-UHFFFAOYSA-N 0 0 458.480 4.912 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001459755724 1067408554 /nfs/dbraw/zinc/40/85/54/1067408554.db2.gz BHVXVCLDRFPAAH-OAQYLSRUSA-N 0 0 458.345 4.917 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001459756723 1067408847 /nfs/dbraw/zinc/40/88/47/1067408847.db2.gz CTKNOXRWJBUWDS-OAQYLSRUSA-N 0 0 457.452 4.629 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccccc1 ZINC001459756328 1067408868 /nfs/dbraw/zinc/40/88/68/1067408868.db2.gz VYEMUWRLPWMPDC-NRFANRHFSA-N 0 0 453.970 4.945 20 0 JJADRN CC(C)[C@H]1CN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757109 1067409404 /nfs/dbraw/zinc/40/94/04/1067409404.db2.gz XVZPFLASDBMZHK-HSZRJFAPSA-N 0 0 451.611 4.800 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC001459758705 1067410338 /nfs/dbraw/zinc/41/03/38/1067410338.db2.gz DECWYJHLAZOYEG-UHFFFAOYSA-N 0 0 454.987 4.996 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)s1 ZINC001459758724 1067410380 /nfs/dbraw/zinc/41/03/80/1067410380.db2.gz CVBUYFPICZOCGN-IBGZPJMESA-N 0 0 454.527 4.782 20 0 JJADRN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c(F)c1 ZINC001459759631 1067410866 /nfs/dbraw/zinc/41/08/66/1067410866.db2.gz RAJXLWOXYPEOMJ-MRXNPFEDSA-N 0 0 454.523 4.764 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)CC1=O ZINC001459759732 1067410886 /nfs/dbraw/zinc/41/08/86/1067410886.db2.gz ZUVPYWKYKNFOQE-DLBZAZTESA-N 0 0 453.489 4.760 20 0 JJADRN CCc1c(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cnn1-c1cccc(C)c1 ZINC001459760203 1067411442 /nfs/dbraw/zinc/41/14/42/1067411442.db2.gz KYYMHMVPOHVTHT-QGZVFWFLSA-N 0 0 453.340 4.570 20 0 JJADRN COc1ccc(-c2ccc(NC(=O)c3ccc(OCc4noc(C)n4)cc3)nc2)cc1Cl ZINC001459760322 1067411447 /nfs/dbraw/zinc/41/14/47/1067411447.db2.gz HIICZHBSZCMIHJ-UHFFFAOYSA-N 0 0 450.882 4.933 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)s1 ZINC001459764127 1067413003 /nfs/dbraw/zinc/41/30/03/1067413003.db2.gz NAWHKPKEVDJQSI-KRWDZBQOSA-N 0 0 458.515 4.719 20 0 JJADRN C[C@H](NC(=O)CN1CCc2cccc(Br)c2C1)c1ccc(OC(F)(F)F)cc1 ZINC001459762880 1067413011 /nfs/dbraw/zinc/41/30/11/1067413011.db2.gz MKDHXAHTCAIYAM-ZDUSSCGKSA-N 0 0 457.290 4.583 20 0 JJADRN O=C(CN1CCOC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1Sc1ccccc1 ZINC001459764642 1067413288 /nfs/dbraw/zinc/41/32/88/1067413288.db2.gz CWXKVJSECLSMEM-NQIIRXRSSA-N 0 0 454.617 4.662 20 0 JJADRN COc1ccc(CN(C)CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1O ZINC001459766099 1067413304 /nfs/dbraw/zinc/41/33/04/1067413304.db2.gz YNXCRTBLFWLOQB-UHFFFAOYSA-N 0 0 456.546 4.632 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001459766829 1067413955 /nfs/dbraw/zinc/41/39/55/1067413955.db2.gz WSFRSYRCQCJHMV-CQSZACIVSA-N 0 0 455.386 4.863 20 0 JJADRN COc1cc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc(OC)c1Br ZINC001459766506 1067413962 /nfs/dbraw/zinc/41/39/62/1067413962.db2.gz RUIMOAZATRCHKM-UHFFFAOYSA-N 0 0 452.305 4.685 20 0 JJADRN CC(=O)N(c1nc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)cs1)c1ccc(C)cc1 ZINC001459766690 1067414012 /nfs/dbraw/zinc/41/40/12/1067414012.db2.gz KUABKQNALYUUMD-SFTDATJTSA-N 0 0 457.621 4.522 20 0 JJADRN Cc1cc(CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC(C)C)nc(N2CCCCC2)n1 ZINC001459772005 1067416016 /nfs/dbraw/zinc/41/60/16/1067416016.db2.gz ATJSZPVWUCIIDV-UHFFFAOYSA-N 0 0 455.006 4.736 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC(C)(c4ccccc4)CC3)n2)c1 ZINC001459772747 1067416080 /nfs/dbraw/zinc/41/60/80/1067416080.db2.gz FNDXWTCYWOEVKI-UHFFFAOYSA-N 0 0 451.592 4.820 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC001459774072 1067416684 /nfs/dbraw/zinc/41/66/84/1067416684.db2.gz DEHMGSZXQCCECT-NUEKZKHPSA-N 0 0 455.418 4.796 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774675 1067416711 /nfs/dbraw/zinc/41/67/11/1067416711.db2.gz JUKLTIHLQXEFRB-KBPBESRZSA-N 0 0 452.311 4.685 20 0 JJADRN O=C(CN1CCN(c2ccc(F)cc2Cl)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001459777508 1067417053 /nfs/dbraw/zinc/41/70/53/1067417053.db2.gz GPSHBXLWNUQIQV-UHFFFAOYSA-N 0 0 450.263 4.912 20 0 JJADRN Cc1cc(=O)c(C(=O)O[C@H]2COc3cc(Cl)ccc32)nn1-c1cccc(C(F)(F)F)c1 ZINC001459775993 1067417115 /nfs/dbraw/zinc/41/71/15/1067417115.db2.gz XOQGIWQUGSJNQF-SFHVURJKSA-N 0 0 450.800 4.504 20 0 JJADRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc2c(c(Br)c1)OCO2 ZINC001459778340 1067417707 /nfs/dbraw/zinc/41/77/07/1067417707.db2.gz GOWZMQYEEPSHDE-LBPRGKRZSA-N 0 0 457.143 4.517 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)NCCCOc3cccc(C)c3C)[nH]c(=O)c2c1C ZINC001459781352 1067418266 /nfs/dbraw/zinc/41/82/66/1067418266.db2.gz NQHLZEVQJSCVNA-KRWDZBQOSA-N 0 0 459.637 4.838 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1ccc(OCc2ccccc2)nc1 ZINC001459781703 1067418689 /nfs/dbraw/zinc/41/86/89/1067418689.db2.gz SKTXPBTWPRFITE-JOCHJYFZSA-N 0 0 455.352 4.769 20 0 JJADRN CC[C@@H]1C[C@@H](C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)CCO1 ZINC001459781756 1067418775 /nfs/dbraw/zinc/41/87/75/1067418775.db2.gz ACJLSPOEQRMNKB-HQRMLTQVSA-N 0 0 456.446 4.757 20 0 JJADRN CC[C@@H]1C[C@H](C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)CCO1 ZINC001459781761 1067418777 /nfs/dbraw/zinc/41/87/77/1067418777.db2.gz ACJLSPOEQRMNKB-POAQFYNOSA-N 0 0 456.446 4.757 20 0 JJADRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001459782860 1067419420 /nfs/dbraw/zinc/41/94/20/1067419420.db2.gz LCHAEANEAATGPX-CDHQVMDDSA-N 0 0 454.430 4.557 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H]3CSc4ccc(Br)cc43)CC2=O)cc1 ZINC001459783142 1067419943 /nfs/dbraw/zinc/41/99/43/1067419943.db2.gz XIWCTNIYWVXMIV-DNVCBOLYSA-N 0 0 459.409 4.718 20 0 JJADRN CCCc1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)no1 ZINC001459785442 1067421623 /nfs/dbraw/zinc/42/16/23/1067421623.db2.gz YLEOJJVZNLBPKI-SFHVURJKSA-N 0 0 453.402 4.806 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCc3c(cccc3C(C)C)C2)C1 ZINC001459791399 1067424315 /nfs/dbraw/zinc/42/43/15/1067424315.db2.gz KXBSTIZONYMSCU-AMGIVPHBSA-N 0 0 450.579 4.511 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCc3c(cccc3C(C)C)C2)C1 ZINC001459791405 1067424450 /nfs/dbraw/zinc/42/44/50/1067424450.db2.gz KXBSTIZONYMSCU-CUNXSJBXSA-N 0 0 450.579 4.511 20 0 JJADRN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459792688 1067425632 /nfs/dbraw/zinc/42/56/32/1067425632.db2.gz PHLOMHLRFUNTPN-UHFFFAOYSA-N 0 0 455.274 4.885 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@](C)(CC(C)C)c1cccc(Br)c1 ZINC001459793221 1067426069 /nfs/dbraw/zinc/42/60/69/1067426069.db2.gz UBURMZRYVBZQQR-NRFANRHFSA-N 0 0 452.414 4.852 20 0 JJADRN COc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(Br)c1OC ZINC001459795128 1067427099 /nfs/dbraw/zinc/42/70/99/1067427099.db2.gz FQBRFXZFAKOTKM-UHFFFAOYSA-N 0 0 459.306 4.807 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001459795290 1067427189 /nfs/dbraw/zinc/42/71/89/1067427189.db2.gz KGDDFUCILSYDKW-CRAIPNDOSA-N 0 0 450.284 4.762 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC001459797790 1067428290 /nfs/dbraw/zinc/42/82/90/1067428290.db2.gz KKOJUSOCVRERJK-UHFFFAOYSA-N 0 0 450.490 4.795 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)C(C)(C)c3ccc(C(F)(F)F)cc3)c2)n1 ZINC001459797752 1067428292 /nfs/dbraw/zinc/42/82/92/1067428292.db2.gz JOXHTSUUFNWPPA-UHFFFAOYSA-N 0 0 459.468 4.662 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)cn1)c1cccc(OCc2ccccc2)c1 ZINC001459802016 1067430296 /nfs/dbraw/zinc/43/02/96/1067430296.db2.gz VPTHJFSUMBDRNZ-HNNXBMFYSA-N 0 0 458.299 4.756 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001459804963 1067431304 /nfs/dbraw/zinc/43/13/04/1067431304.db2.gz LZMKADWZWVWLDJ-RRPUWOKSSA-N 0 0 456.558 4.723 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807326 1067432256 /nfs/dbraw/zinc/43/22/56/1067432256.db2.gz ZNDZSJBLNJDISZ-DLTWYDFYSA-N 0 0 456.414 4.946 20 0 JJADRN COc1ccc([C@H](NCCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C(F)(F)F)cc1 ZINC001459807365 1067432313 /nfs/dbraw/zinc/43/23/13/1067432313.db2.gz HXBNBIKSDCFYPB-BUXKBTBVSA-N 0 0 450.530 4.843 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1nc(Br)ccc1F ZINC001459809829 1067432753 /nfs/dbraw/zinc/43/27/53/1067432753.db2.gz FEKMTBXEEWLCSJ-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN CN1C(=O)Cc2cc(NC(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)ccc21 ZINC001459812355 1067433919 /nfs/dbraw/zinc/43/39/19/1067433919.db2.gz AKDNFRNUNMEZPY-QFIPXVFZSA-N 0 0 451.320 4.727 20 0 JJADRN CN1C(=O)Cc2cc(NC(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)ccc21 ZINC001459812352 1067433981 /nfs/dbraw/zinc/43/39/81/1067433981.db2.gz AKDNFRNUNMEZPY-JOCHJYFZSA-N 0 0 451.320 4.727 20 0 JJADRN COc1cc([C@@H](NCC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C(F)(F)F)cc(OC)c1OC ZINC001459815788 1067435364 /nfs/dbraw/zinc/43/53/64/1067435364.db2.gz AOSLWSISEQXFKC-SUFBMKPHSA-N 0 0 457.411 4.843 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001459816778 1067436466 /nfs/dbraw/zinc/43/64/66/1067436466.db2.gz ISAVDDHFTKOWHP-HXUWFJFHSA-N 0 0 452.555 4.621 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(OC(F)(F)F)cc1 ZINC001459817874 1067437133 /nfs/dbraw/zinc/43/71/33/1067437133.db2.gz CIYAMOJTSHQRFR-LQAWEQHXSA-N 0 0 459.262 4.698 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001459819718 1067437748 /nfs/dbraw/zinc/43/77/48/1067437748.db2.gz JAZZXDTUUHKHBJ-NRFANRHFSA-N 0 0 456.926 4.908 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001459819721 1067438257 /nfs/dbraw/zinc/43/82/57/1067438257.db2.gz JAZZXDTUUHKHBJ-OAQYLSRUSA-N 0 0 456.926 4.908 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccnc(Oc3ccccc3F)c2)CC2(CCC2)C1 ZINC001459821036 1067438330 /nfs/dbraw/zinc/43/83/30/1067438330.db2.gz CUTPKCIFNHGZOG-UHFFFAOYSA-N 0 0 455.530 4.857 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2I)c1C ZINC001459821530 1067438839 /nfs/dbraw/zinc/43/88/39/1067438839.db2.gz IWSLJABVWLQVPY-UHFFFAOYSA-N 0 0 457.699 4.647 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC001459821748 1067438864 /nfs/dbraw/zinc/43/88/64/1067438864.db2.gz ROMPISSZSLUTNX-UHFFFAOYSA-N 0 0 458.562 4.966 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)CC(=O)OC ZINC001459826039 1067441344 /nfs/dbraw/zinc/44/13/44/1067441344.db2.gz ACQCERUSMWBWRT-VWLOTQADSA-N 0 0 457.574 4.946 20 0 JJADRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001459827388 1067441696 /nfs/dbraw/zinc/44/16/96/1067441696.db2.gz PPRIXZJPHDLIDW-SFHVURJKSA-N 0 0 452.580 4.589 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCC1 ZINC001459828627 1067442290 /nfs/dbraw/zinc/44/22/90/1067442290.db2.gz PGIATECNGHNSNG-MRXNPFEDSA-N 0 0 456.414 4.916 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001546112114 1067442306 /nfs/dbraw/zinc/44/23/06/1067442306.db2.gz DAGAEVPXQMUUMB-JXFKEZNVSA-N 0 0 482.547 4.807 20 0 JJADRN Cc1cc(C)cc(CN(C)C(=O)c2ccc(I)c(Br)c2)c1 ZINC001459829156 1067442503 /nfs/dbraw/zinc/44/25/03/1067442503.db2.gz KJVSBTORWXMKAX-UHFFFAOYSA-N 0 0 458.137 4.943 20 0 JJADRN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cnn2cccc(Br)c12 ZINC001459831706 1067444268 /nfs/dbraw/zinc/44/42/68/1067444268.db2.gz HFTXZRKYFRCVIL-UHFFFAOYSA-N 0 0 452.696 4.660 20 0 JJADRN COC[C@@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459833699 1067445339 /nfs/dbraw/zinc/44/53/39/1067445339.db2.gz CULTXEGDWVTDIA-QGZVFWFLSA-N 0 0 453.461 4.884 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC001459835567 1067446506 /nfs/dbraw/zinc/44/65/06/1067446506.db2.gz WWCQEJVESWTUOU-IBGZPJMESA-N 0 0 451.773 4.690 20 0 JJADRN Cc1nc(-c2cc3c(s2)CCN(CC(=O)NCCc2ccc(OC(C)C)cc2)C3)cs1 ZINC001459839013 1067447530 /nfs/dbraw/zinc/44/75/30/1067447530.db2.gz FVJBLTISGJMHFR-UHFFFAOYSA-N 0 0 455.649 4.684 20 0 JJADRN Cc1cc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001459839021 1067447548 /nfs/dbraw/zinc/44/75/48/1067447548.db2.gz FVRUMMQZOVGBJJ-LJQANCHMSA-N 0 0 459.775 4.526 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1-c1cnn(C)c1 ZINC001459840437 1067448191 /nfs/dbraw/zinc/44/81/91/1067448191.db2.gz LSEFEIWSECSRGY-HXUWFJFHSA-N 0 0 457.361 4.628 20 0 JJADRN CCN(CC(N)=O)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 ZINC001459842615 1067449639 /nfs/dbraw/zinc/44/96/39/1067449639.db2.gz NWEPJJXRODOHSU-RVDMUPIBSA-N 0 0 454.357 4.976 20 0 JJADRN CCn1c(CNC(=O)c2cnn(-c3ccccc3Cl)c2)nc2cc(Br)ccc21 ZINC001459842847 1067450031 /nfs/dbraw/zinc/45/00/31/1067450031.db2.gz VHVMDDBEKCMCDF-UHFFFAOYSA-N 0 0 458.747 4.588 20 0 JJADRN C[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1cc2c(cc1Br)OCCO2 ZINC001459844712 1067451206 /nfs/dbraw/zinc/45/12/06/1067451206.db2.gz PJTPJUDNKISHQW-NSHDSACASA-N 0 0 450.720 4.775 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001459845392 1067451491 /nfs/dbraw/zinc/45/14/91/1067451491.db2.gz OIKNVECQQNHFDL-HXUWFJFHSA-N 0 0 451.441 4.833 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)cnn1-c1ccccc1 ZINC001459846570 1067452061 /nfs/dbraw/zinc/45/20/61/1067452061.db2.gz XQYFVUQAKULIFD-UHFFFAOYSA-N 0 0 456.340 4.935 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC001459849586 1067454695 /nfs/dbraw/zinc/45/46/95/1067454695.db2.gz KDVDUKQJZWGOBB-NSHDSACASA-N 0 0 450.757 4.746 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001459851582 1067456757 /nfs/dbraw/zinc/45/67/57/1067456757.db2.gz XMNAZSFJVIQOCR-IBGZPJMESA-N 0 0 458.345 4.830 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)n2)CCCCCC1 ZINC001459852940 1067457825 /nfs/dbraw/zinc/45/78/25/1067457825.db2.gz AWBIJVCLFHKHJF-YADHBBJMSA-N 0 0 452.599 4.530 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H](NCc2nc(C(C)(C)C)cs2)c2ccccc2)c(C)c1 ZINC001459853860 1067458192 /nfs/dbraw/zinc/45/81/92/1067458192.db2.gz UBWPCOICRMPPQY-FQEVSTJZSA-N 0 0 457.665 4.867 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccccc2OCc2cccs2)cc1 ZINC001459855171 1067458725 /nfs/dbraw/zinc/45/87/25/1067458725.db2.gz JETUKPJSYHSTIU-UHFFFAOYSA-N 0 0 458.605 4.633 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)cc1 ZINC001459856149 1067459336 /nfs/dbraw/zinc/45/93/36/1067459336.db2.gz LTXWOIDKJDKDGE-ICSRJNTNSA-N 0 0 452.979 4.665 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC001459856150 1067459342 /nfs/dbraw/zinc/45/93/42/1067459342.db2.gz LTXWOIDKJDKDGE-QUCCMNQESA-N 0 0 452.979 4.665 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)cc1 ZINC001459856147 1067459346 /nfs/dbraw/zinc/45/93/46/1067459346.db2.gz LTXWOIDKJDKDGE-AZUAARDMSA-N 0 0 452.979 4.665 20 0 JJADRN C[C@H](NCc1cc2c(cc1Br)OCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857573 1067459984 /nfs/dbraw/zinc/45/99/84/1067459984.db2.gz JSABGZIBBOBYFE-AWEZNQCLSA-N 0 0 454.324 4.676 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(Oc4cccnc4)cc3)CCC(=O)N2C)cc1 ZINC001459858563 1067460815 /nfs/dbraw/zinc/46/08/15/1067460815.db2.gz YJAUMGLBXILDRM-VLGQDORFSA-N 0 0 459.546 4.669 20 0 JJADRN COC(=O)[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001459860455 1067461350 /nfs/dbraw/zinc/46/13/50/1067461350.db2.gz WYQDEGSJERMYIN-YCRPNKLZSA-N 0 0 457.452 4.918 20 0 JJADRN COC(=O)[C@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001459860453 1067461371 /nfs/dbraw/zinc/46/13/71/1067461371.db2.gz WYQDEGSJERMYIN-QVKFZJNVSA-N 0 0 457.452 4.918 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863119 1067462554 /nfs/dbraw/zinc/46/25/54/1067462554.db2.gz PACDZLHSASNJGW-LNLFQRSKSA-N 0 0 458.628 4.681 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCOCC1 ZINC001459864501 1067463141 /nfs/dbraw/zinc/46/31/41/1067463141.db2.gz JSVYQSTWSCUWCC-LBPRGKRZSA-N 0 0 455.527 4.882 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1(C)C ZINC001459865411 1067463606 /nfs/dbraw/zinc/46/36/06/1067463606.db2.gz NSSRVBJGHHUXMK-IBGZPJMESA-N 0 0 459.384 4.882 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2cc(F)c(F)c(F)c2)sc2c1CCCC2 ZINC001459865956 1067463624 /nfs/dbraw/zinc/46/36/24/1067463624.db2.gz WOAAMFDXFXKBTO-GFCCVEGCSA-N 0 0 454.514 4.680 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001459867421 1067464772 /nfs/dbraw/zinc/46/47/72/1067464772.db2.gz DDLJVGKUXMWVGH-ZKMPZPQNSA-N 0 0 450.579 4.886 20 0 JJADRN Cc1c(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001459867751 1067465259 /nfs/dbraw/zinc/46/52/59/1067465259.db2.gz HLOZSJSNPLYSJL-QGZVFWFLSA-N 0 0 453.367 4.612 20 0 JJADRN C[C@@H](NCc1cc(Cl)ccc1I)c1cccc(N2CCCC2=O)c1 ZINC001459870290 1067466844 /nfs/dbraw/zinc/46/68/44/1067466844.db2.gz ZPZVVALDRNSIFI-CYBMUJFWSA-N 0 0 454.739 4.922 20 0 JJADRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC001459872013 1067467903 /nfs/dbraw/zinc/46/79/03/1067467903.db2.gz PTLQMLMKAAFVLF-GOSISDBHSA-N 0 0 455.393 4.514 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001459872439 1067467918 /nfs/dbraw/zinc/46/79/18/1067467918.db2.gz BIAIQZDBIPABSS-WWMYMODYSA-N 0 0 457.546 4.564 20 0 JJADRN Cc1nc(N2CCN(CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC2)sc1C ZINC001459873399 1067468363 /nfs/dbraw/zinc/46/83/63/1067468363.db2.gz AXKYCWOUYZRRGQ-IBGZPJMESA-N 0 0 453.439 4.552 20 0 JJADRN Cc1nc2cc(C(=O)N3CCCC[C@H]3COC(=O)NC(C)C)ccc2n1Cc1ccsc1 ZINC001459873154 1067468388 /nfs/dbraw/zinc/46/83/88/1067468388.db2.gz VTJRJLYODWDOGN-FQEVSTJZSA-N 0 0 454.596 4.584 20 0 JJADRN Nc1nc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(Nc2ccc(F)cc2)n1 ZINC001459875860 1067469365 /nfs/dbraw/zinc/46/93/65/1067469365.db2.gz IYOANRRBCJKDJZ-NRFANRHFSA-N 0 0 450.468 4.688 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001459875755 1067469378 /nfs/dbraw/zinc/46/93/78/1067469378.db2.gz JDLHFQIZWNULOR-OHUGHZGNSA-N 0 0 452.595 4.806 20 0 JJADRN COC1(CNC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CCC(c2ccccc2)CC1 ZINC001459878152 1067470379 /nfs/dbraw/zinc/47/03/79/1067470379.db2.gz AIUJQWPOXFDFHN-MLECGRFJSA-N 0 0 456.627 4.883 20 0 JJADRN COC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CCC(c2ccccc2)CC1 ZINC001459880339 1067470708 /nfs/dbraw/zinc/47/07/08/1067470708.db2.gz KDRZOOVVPVGQRL-HLTVDCFTSA-N 0 0 454.998 4.548 20 0 JJADRN CCOc1cc(C(=O)Nc2scc(C)c2C(=O)OC)ccc1OCCOc1ccccc1 ZINC001459881241 1067471694 /nfs/dbraw/zinc/47/16/94/1067471694.db2.gz ACGLKSCYJBSRSE-UHFFFAOYSA-N 0 0 455.532 4.952 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)c2)cs1 ZINC001459881835 1067471796 /nfs/dbraw/zinc/47/17/96/1067471796.db2.gz WRMPZODFGKLGEZ-VWKPWSFCSA-N 0 0 459.612 4.794 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)c1cc2c(cc1Br)OCO2 ZINC001459883794 1067472251 /nfs/dbraw/zinc/47/22/51/1067472251.db2.gz UPRNVMNCXKLHTE-UHFFFAOYSA-N 0 0 456.115 4.802 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2C)C1 ZINC001546112471 1067472265 /nfs/dbraw/zinc/47/22/65/1067472265.db2.gz SKHZADGDUWCGFP-QFIPXVFZSA-N 0 0 450.631 4.932 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2c(cccc2Br)s1 ZINC001459884716 1067472731 /nfs/dbraw/zinc/47/27/31/1067472731.db2.gz ZFFMRYXYCBTJKQ-UHFFFAOYSA-N 0 0 452.717 4.649 20 0 JJADRN Cc1cc2cc(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)oc2c(Br)c1 ZINC001459886611 1067473068 /nfs/dbraw/zinc/47/30/68/1067473068.db2.gz CAYJSPAEFZEBBE-UHFFFAOYSA-N 0 0 451.267 4.871 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)cc1F ZINC001459885836 1067473158 /nfs/dbraw/zinc/47/31/58/1067473158.db2.gz ZUOQOSXVEYASAC-AWEZNQCLSA-N 0 0 458.921 4.955 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C2(C)CCC(F)(F)CC2)C1=O ZINC001459887889 1067473604 /nfs/dbraw/zinc/47/36/04/1067473604.db2.gz NFAPZFUNEIKRTR-MRXNPFEDSA-N 0 0 457.359 4.893 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1=O ZINC001459889905 1067475363 /nfs/dbraw/zinc/47/53/63/1067475363.db2.gz ZMHZBKBMVWZNQL-HXUWFJFHSA-N 0 0 452.352 4.540 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cc(Br)ccc1OC(F)F ZINC001459892013 1067475772 /nfs/dbraw/zinc/47/57/72/1067475772.db2.gz VBMMIPQRMZHJEQ-LBPRGKRZSA-N 0 0 454.193 4.709 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1OC ZINC001459893501 1067476606 /nfs/dbraw/zinc/47/66/06/1067476606.db2.gz HVTNACBJXJECST-UHFFFAOYSA-N 0 0 454.901 4.895 20 0 JJADRN CCOC(=O)c1cc(CN[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)on1 ZINC001459896028 1067477691 /nfs/dbraw/zinc/47/76/91/1067477691.db2.gz BKALWILKMQFGEU-LLVKDONJSA-N 0 0 450.358 4.897 20 0 JJADRN C[C@H](NC(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896172 1067477699 /nfs/dbraw/zinc/47/76/99/1067477699.db2.gz KVHSMEYJKKKODI-LBPRGKRZSA-N 0 0 450.193 4.972 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(C)cc3)n2CCC2(O)CCOCC2)C1 ZINC001546112213 1067477707 /nfs/dbraw/zinc/47/77/07/1067477707.db2.gz IKBSSBZHJNMESW-UHFFFAOYSA-N 0 0 458.672 4.827 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)Oc1cccc2c1CCCC(=O)N2 ZINC001459899211 1067478620 /nfs/dbraw/zinc/47/86/20/1067478620.db2.gz RETSJIQTWQNWOC-UHFFFAOYSA-N 0 0 455.308 4.917 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CCc2cccc3c2OCO3)C1 ZINC001459900592 1067479584 /nfs/dbraw/zinc/47/95/84/1067479584.db2.gz LAIUWSTXAIIFIU-LJQANCHMSA-N 0 0 459.384 4.512 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nn1[C@@H](C)C1CC1 ZINC001459900878 1067479700 /nfs/dbraw/zinc/47/97/00/1067479700.db2.gz NJJZWIFBXDFYMY-PXNSSMCTSA-N 0 0 459.432 4.941 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc(C)cc2Sc2ccccc2)s1 ZINC001459900940 1067480304 /nfs/dbraw/zinc/48/03/04/1067480304.db2.gz WNQIFMSJBRSORX-HOTGVXAUSA-N 0 0 454.621 4.953 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 ZINC001459903812 1067481934 /nfs/dbraw/zinc/48/19/34/1067481934.db2.gz VRYZXSFZXDTNHI-BAGYTPMASA-N 0 0 457.412 4.963 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC001459905381 1067482488 /nfs/dbraw/zinc/48/24/88/1067482488.db2.gz HQTCOHBZMZPSGE-UHFFFAOYSA-N 0 0 454.379 4.916 20 0 JJADRN C[C@@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC001459907847 1067484033 /nfs/dbraw/zinc/48/40/33/1067484033.db2.gz CRIIWJWPLIUIFR-SNVBAGLBSA-N 0 0 453.699 4.581 20 0 JJADRN COC(=O)[C@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1 ZINC001459910391 1067485806 /nfs/dbraw/zinc/48/58/06/1067485806.db2.gz JDPORMANSXIUDP-MEDUHNTESA-N 0 0 450.720 4.717 20 0 JJADRN COC(=O)[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1 ZINC001459910389 1067485843 /nfs/dbraw/zinc/48/58/43/1067485843.db2.gz JDPORMANSXIUDP-BDJLRTHQSA-N 0 0 450.720 4.717 20 0 JJADRN Cc1cc(-c2noc(CN[C@@H](C)c3nc(-c4ccc(Br)cc4)no3)n2)ccc1F ZINC001459911240 1067486203 /nfs/dbraw/zinc/48/62/03/1067486203.db2.gz MEYFOLRBLZPAQB-LBPRGKRZSA-N 0 0 458.291 4.847 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br ZINC001459911210 1067486285 /nfs/dbraw/zinc/48/62/85/1067486285.db2.gz FUAAOMVYGYXUJJ-AWEZNQCLSA-N 0 0 459.812 4.941 20 0 JJADRN COc1ccc(C(=O)Oc2ccc(SC(F)(F)F)cc2)nc1I ZINC001459910900 1067486294 /nfs/dbraw/zinc/48/62/94/1067486294.db2.gz RCVMNYDULCZRIX-UHFFFAOYSA-N 0 0 455.195 4.526 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC001459913133 1067487326 /nfs/dbraw/zinc/48/73/26/1067487326.db2.gz VXUWDKFIYQZBAL-QMHKHESXSA-N 0 0 452.530 4.583 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)ccc2SC)C1 ZINC001546112664 1067487345 /nfs/dbraw/zinc/48/73/45/1067487345.db2.gz ZPGQUBQCZUCXLA-UWJYYQICSA-N 0 0 462.635 4.928 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC001459913127 1067487360 /nfs/dbraw/zinc/48/73/60/1067487360.db2.gz VXUWDKFIYQZBAL-HJPURHCSSA-N 0 0 452.530 4.583 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)c3sc(-c4ccc(OC)cc4F)nc3C)cn2)cc1 ZINC001459915676 1067488966 /nfs/dbraw/zinc/48/89/66/1067488966.db2.gz SWOPCDLJOWWMPS-UHFFFAOYSA-N 0 0 452.511 4.772 20 0 JJADRN C[C@](O)(C1CCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916553 1067489390 /nfs/dbraw/zinc/48/93/90/1067489390.db2.gz WIQRVMXONBYYSQ-YADHBBJMSA-N 0 0 454.920 4.571 20 0 JJADRN C[C@@](O)(C1CCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916528 1067489450 /nfs/dbraw/zinc/48/94/50/1067489450.db2.gz WIQRVMXONBYYSQ-FCHUYYIVSA-N 0 0 454.920 4.571 20 0 JJADRN C[C@](O)(C1CCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916544 1067489468 /nfs/dbraw/zinc/48/94/68/1067489468.db2.gz WIQRVMXONBYYSQ-VXKWHMMOSA-N 0 0 454.920 4.571 20 0 JJADRN Cc1ccc(NC(=O)CN2CCC[C@H](C)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001459918106 1067490280 /nfs/dbraw/zinc/49/02/80/1067490280.db2.gz GYYCJKGKMWPLLH-IBGZPJMESA-N 0 0 455.624 4.512 20 0 JJADRN Cc1sc2ncn(CCC(=O)N(C)[C@H](C)Cc3ccccc3C(F)(F)F)c(=O)c2c1C ZINC001459918282 1067490476 /nfs/dbraw/zinc/49/04/76/1067490476.db2.gz BYLWNMWDIYXTKN-CYBMUJFWSA-N 0 0 451.514 4.573 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001459918496 1067490805 /nfs/dbraw/zinc/49/08/05/1067490805.db2.gz JZKXHLZKGRZLOM-WMLDXEAASA-N 0 0 453.461 4.504 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459921010 1067491703 /nfs/dbraw/zinc/49/17/03/1067491703.db2.gz MXFWVYKLHYJFER-IEBWSBKVSA-N 0 0 458.990 4.697 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC001459921585 1067492319 /nfs/dbraw/zinc/49/23/19/1067492319.db2.gz QIAOWKDQVDSCDM-FEFOKTNTSA-N 0 0 454.489 4.848 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC001459921728 1067492323 /nfs/dbraw/zinc/49/23/23/1067492323.db2.gz RTMBAKUXNFDFCO-UHFFFAOYSA-N 0 0 450.495 4.791 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459922037 1067492777 /nfs/dbraw/zinc/49/27/77/1067492777.db2.gz OHNITNSGGIJIPO-QGZVFWFLSA-N 0 0 455.368 4.760 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001459925043 1067493832 /nfs/dbraw/zinc/49/38/32/1067493832.db2.gz ODFBFEDUYGVXAA-IIBYNOLFSA-N 0 0 450.501 4.761 20 0 JJADRN COC(=O)c1cc(NC(=O)c2nccnc2Sc2ccccc2)c(C)cc1Br ZINC001459924472 1067493865 /nfs/dbraw/zinc/49/38/65/1067493865.db2.gz MCNIPDWMJQAZJR-UHFFFAOYSA-N 0 0 458.337 4.738 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001459925468 1067494399 /nfs/dbraw/zinc/49/43/99/1067494399.db2.gz VJEAFFJADWGVFU-QHAWAJNXSA-N 0 0 463.416 4.802 20 0 JJADRN COc1ccc(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)c(Br)c1 ZINC001459929463 1067496080 /nfs/dbraw/zinc/49/60/80/1067496080.db2.gz HTDHJGBYLWKBFJ-UHFFFAOYSA-N 0 0 458.356 4.896 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459932277 1067496953 /nfs/dbraw/zinc/49/69/53/1067496953.db2.gz MQKSDAMFUWNICT-HNNXBMFYSA-N 0 0 452.904 4.964 20 0 JJADRN COc1ccc(-n2c(CN[C@@H](CO)c3cccc(Br)c3)nc3ccccc32)cc1 ZINC001459932842 1067496983 /nfs/dbraw/zinc/49/69/83/1067496983.db2.gz MXPOOQWLOPQLQP-NRFANRHFSA-N 0 0 452.352 4.620 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459935066 1067498011 /nfs/dbraw/zinc/49/80/11/1067498011.db2.gz UBFMEFYUHHHPDW-UHFFFAOYSA-N 0 0 451.247 4.879 20 0 JJADRN O=C(NCc1ccn(Cc2ccccc2)n1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001459935337 1067498519 /nfs/dbraw/zinc/49/85/19/1067498519.db2.gz LAPUNUZLKHZLHB-UHFFFAOYSA-N 0 0 456.237 4.782 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937005 1067499164 /nfs/dbraw/zinc/49/91/64/1067499164.db2.gz ZVICPGNEEXHAIC-RBZQAINGSA-N 0 0 468.642 4.615 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC001459936230 1067499197 /nfs/dbraw/zinc/49/91/97/1067499197.db2.gz ZOORDGZIBOUQJW-WBVHZDCISA-N 0 0 458.430 4.892 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)cc2)c(C)c1Cl ZINC001459939108 1067499488 /nfs/dbraw/zinc/49/94/88/1067499488.db2.gz HXNOKJGFVMPPTO-NRFANRHFSA-N 0 0 458.990 4.760 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 ZINC001459939411 1067500221 /nfs/dbraw/zinc/50/02/21/1067500221.db2.gz YEQNAEDIEXHSRK-UONOGXRCSA-N 0 0 459.310 4.637 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)c2)cn1 ZINC001459941987 1067500551 /nfs/dbraw/zinc/50/05/51/1067500551.db2.gz QBTKINJPUHYZGM-QHCPKHFHSA-N 0 0 451.567 4.586 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccc(OCc2ccccc2)c1 ZINC001459941429 1067500583 /nfs/dbraw/zinc/50/05/83/1067500583.db2.gz KZRICDNPAKCCAZ-UHFFFAOYSA-N 0 0 457.526 4.938 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)cc2)n1 ZINC001459943566 1067501003 /nfs/dbraw/zinc/50/10/03/1067501003.db2.gz GXAVFIJLGQZJKM-DENIHFKCSA-N 0 0 452.942 4.595 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC001459944357 1067501390 /nfs/dbraw/zinc/50/13/90/1067501390.db2.gz ZEGNNJKHUPKGJF-YTQUADARSA-N 0 0 454.489 4.692 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)Nc2ncc(-c3cccnc3)s2)(c2ccccc2)C1 ZINC001459944472 1067501504 /nfs/dbraw/zinc/50/15/04/1067501504.db2.gz OMZBEMVTKCIFSG-XZMJRDFISA-N 0 0 450.564 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944053 1067501548 /nfs/dbraw/zinc/50/15/48/1067501548.db2.gz PIXRTKIWIUOLIC-RPLLCQBOSA-N 0 0 455.643 4.900 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(-c3cccnc3)s2)(C(F)(F)F)CC1 ZINC001459944516 1067501609 /nfs/dbraw/zinc/50/16/09/1067501609.db2.gz PVPJEKNPAUMZHK-UHFFFAOYSA-N 0 0 456.490 4.723 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2sc3ccc(Br)cc3c2C)C1 ZINC001459945053 1067501897 /nfs/dbraw/zinc/50/18/97/1067501897.db2.gz FHPHDUJXODBEQE-MRXNPFEDSA-N 0 0 450.276 4.540 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(C)(C)C)c1 ZINC001459945778 1067502180 /nfs/dbraw/zinc/50/21/80/1067502180.db2.gz QIYUYXSEPGTFPE-SFHVURJKSA-N 0 0 456.608 4.606 20 0 JJADRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001459945478 1067502223 /nfs/dbraw/zinc/50/22/23/1067502223.db2.gz GNWVPAPEHACTDA-YGRLFVJLSA-N 0 0 452.260 4.544 20 0 JJADRN C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCC(=O)N4C)c2C(=O)OC(C)(C)C)C1 ZINC001459946833 1067502535 /nfs/dbraw/zinc/50/25/35/1067502535.db2.gz VNNGZMAZXYWBIH-CQSZACIVSA-N 0 0 454.592 4.990 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCC2(c3ccc(Br)s3)CCC2)c1 ZINC001459950158 1067503820 /nfs/dbraw/zinc/50/38/20/1067503820.db2.gz HFUFUXFISDEKBN-GOEBONIOSA-N 0 0 450.398 4.869 20 0 JJADRN O=C(COCc1nc2ccccc2s1)NCC1(c2ccc(Br)s2)CCC1 ZINC001459950023 1067503934 /nfs/dbraw/zinc/50/39/34/1067503934.db2.gz DPMQKMPOUWAMBC-UHFFFAOYSA-N 0 0 451.411 4.875 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCC2(c3ccc(Br)s3)CCC2)c1 ZINC001459950161 1067503967 /nfs/dbraw/zinc/50/39/67/1067503967.db2.gz HFUFUXFISDEKBN-HOCLYGCPSA-N 0 0 450.398 4.869 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC001459949747 1067503987 /nfs/dbraw/zinc/50/39/87/1067503987.db2.gz CSUVVXHXUGWKFV-JTQLQIEISA-N 0 0 456.749 4.640 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCC2(c3ccc(Br)s3)CCC2)c1 ZINC001459950165 1067504011 /nfs/dbraw/zinc/50/40/11/1067504011.db2.gz HFUFUXFISDEKBN-ZBFHGGJFSA-N 0 0 450.398 4.869 20 0 JJADRN COc1ccc(Br)c(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 ZINC001459954144 1067505098 /nfs/dbraw/zinc/50/50/98/1067505098.db2.gz WFUQHBJZRDBTAH-UHFFFAOYSA-N 0 0 456.262 4.757 20 0 JJADRN CCCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)C(C)C ZINC001459960684 1067508121 /nfs/dbraw/zinc/50/81/21/1067508121.db2.gz NKHQJTDOSUTOQG-XLIONFOSSA-N 0 0 451.405 4.983 20 0 JJADRN Fc1ccc([C@@H]2CN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)cc1Br ZINC001459961631 1067508430 /nfs/dbraw/zinc/50/84/30/1067508430.db2.gz OWFSQXYOGKJGSY-UZLBHIALSA-N 0 0 453.739 4.808 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459961039 1067508465 /nfs/dbraw/zinc/50/84/65/1067508465.db2.gz PBGVSMNEHMPANZ-GCJKJVERSA-N 0 0 453.560 4.876 20 0 JJADRN COCCCOc1ccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1OC ZINC001459965949 1067510009 /nfs/dbraw/zinc/51/00/09/1067510009.db2.gz HCLMAVLDKNQUBP-UHFFFAOYSA-N 0 0 457.958 4.878 20 0 JJADRN O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001459969859 1067510738 /nfs/dbraw/zinc/51/07/38/1067510738.db2.gz AGCCDBQAOHLRPD-UHFFFAOYSA-N 0 0 452.963 4.699 20 0 JJADRN Cn1nccc1C1=CCN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001459972789 1067511041 /nfs/dbraw/zinc/51/10/41/1067511041.db2.gz BTQGWTIXETYIIV-JOCHJYFZSA-N 0 0 452.352 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001459977700 1067513202 /nfs/dbraw/zinc/51/32/02/1067513202.db2.gz SUAWWMAYGMSIIT-YCAMKHIRSA-N 0 0 456.627 4.881 20 0 JJADRN CCCCc1nnc(NC(=O)CN2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)s1 ZINC001459978867 1067513909 /nfs/dbraw/zinc/51/39/09/1067513909.db2.gz BAEGWEXPNANXFC-UHFFFAOYSA-N 0 0 458.628 4.654 20 0 JJADRN C[C@H](NC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)C1(S(C)(=O)=O)CC1 ZINC001459979279 1067514370 /nfs/dbraw/zinc/51/43/70/1067514370.db2.gz QZGFGWFHZAZSNV-ZDUSSCGKSA-N 0 0 458.432 4.981 20 0 JJADRN CC[C@](NC(=O)[C@H]1CCc2cc(Br)ccc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981491 1067514806 /nfs/dbraw/zinc/51/48/06/1067514806.db2.gz WZHRURTXUPJERO-GHTZIAJQSA-N 0 0 450.760 4.727 20 0 JJADRN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001459984066 1067515551 /nfs/dbraw/zinc/51/55/51/1067515551.db2.gz CAUJEJGPDWDGMA-UHFFFAOYSA-N 0 0 453.269 4.659 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1cncc(Cl)c1Br ZINC001459987828 1067516326 /nfs/dbraw/zinc/51/63/26/1067516326.db2.gz RTVKICZUTGKRTI-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cn1cc(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c(-c2cccs2)n1 ZINC001459989575 1067517245 /nfs/dbraw/zinc/51/72/45/1067517245.db2.gz MIKUAAWVSMPLLI-UHFFFAOYSA-N 0 0 456.543 4.833 20 0 JJADRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001459992350 1067518543 /nfs/dbraw/zinc/51/85/43/1067518543.db2.gz GYPPVFDVBMIQDY-HXUWFJFHSA-N 0 0 456.587 4.846 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c(F)cc1C ZINC001459995337 1067519037 /nfs/dbraw/zinc/51/90/37/1067519037.db2.gz YAMHVBXGFWQXDK-UHFFFAOYSA-N 0 0 450.445 4.679 20 0 JJADRN COCCOc1cccc(CNC(=O)CN2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996787 1067519850 /nfs/dbraw/zinc/51/98/50/1067519850.db2.gz MEMTYRIQPHOVSW-QFIPXVFZSA-N 0 0 450.501 4.574 20 0 JJADRN O=C(CN1CCC(Oc2cncc(Cl)n2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001459997515 1067520306 /nfs/dbraw/zinc/52/03/06/1067520306.db2.gz NJVXOHSNEDOYQL-UHFFFAOYSA-N 0 0 450.153 4.572 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459998555 1067520704 /nfs/dbraw/zinc/52/07/04/1067520704.db2.gz ROHAISDVNIJBQJ-WLMCBFPDSA-N 0 0 452.395 4.865 20 0 JJADRN CC1(C)CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)c2cc(Br)ccc21 ZINC001460001288 1067521810 /nfs/dbraw/zinc/52/18/10/1067521810.db2.gz GVROWFNRTGCVRV-UHFFFAOYSA-N 0 0 457.351 4.787 20 0 JJADRN CCc1ccc(-c2cc(C(=O)OCc3cc(C(F)(F)F)cc(S(C)(=O)=O)c3)no2)cc1 ZINC001460003063 1067522330 /nfs/dbraw/zinc/52/23/30/1067522330.db2.gz APWFUCXNKZHKDJ-UHFFFAOYSA-N 0 0 453.438 4.683 20 0 JJADRN Cc1cc(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)ccc1Br ZINC001460003075 1067522429 /nfs/dbraw/zinc/52/24/29/1067522429.db2.gz AVWPCKOFOVRRQZ-UHFFFAOYSA-N 0 0 451.260 4.537 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460003239 1067522905 /nfs/dbraw/zinc/52/29/05/1067522905.db2.gz BRSSSQORVSCTPG-CVEARBPZSA-N 0 0 455.571 4.886 20 0 JJADRN CC(C)OCc1noc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460004614 1067523154 /nfs/dbraw/zinc/52/31/54/1067523154.db2.gz SYZYGHCDAMOWNN-OAHLLOKOSA-N 0 0 453.383 4.606 20 0 JJADRN CC(C)Oc1ccc(Cl)cc1C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460004363 1067523173 /nfs/dbraw/zinc/52/31/73/1067523173.db2.gz GJRFZDDVEMCOEY-UHFFFAOYSA-N 0 0 450.862 4.907 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460005518 1067523503 /nfs/dbraw/zinc/52/35/03/1067523503.db2.gz NNKVJKNSMIHOED-UHFFFAOYSA-N 0 0 453.942 4.666 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)nnn1CCOc1ccc(F)cc1 ZINC001460005522 1067523675 /nfs/dbraw/zinc/52/36/75/1067523675.db2.gz AAZMQHMIWUORIH-CQSZACIVSA-N 0 0 457.556 4.534 20 0 JJADRN COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)cs1 ZINC001460004949 1067523703 /nfs/dbraw/zinc/52/37/03/1067523703.db2.gz BFXIVMQIDZFGFG-GOSISDBHSA-N 0 0 450.988 4.982 20 0 JJADRN Cc1cc(C(=O)OCc2cn(-c3ccccc3Br)nn2)c(Br)s1 ZINC001460005839 1067524004 /nfs/dbraw/zinc/52/40/04/1067524004.db2.gz OJDQQRKQPPNDCR-UHFFFAOYSA-N 0 0 457.147 4.519 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC001460007879 1067524700 /nfs/dbraw/zinc/52/47/00/1067524700.db2.gz JLWXOWVGANZYES-MRXNPFEDSA-N 0 0 450.421 4.541 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc(Br)cn2ccnc12 ZINC001460008270 1067525206 /nfs/dbraw/zinc/52/52/06/1067525206.db2.gz XCYPYDFNINPYDY-UHFFFAOYSA-N 0 0 453.312 4.526 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)CC2=NS(=O)(=O)c3ccccc32)c(Br)c1 ZINC001460009715 1067525501 /nfs/dbraw/zinc/52/55/01/1067525501.db2.gz VLGRNJLZUJHGNK-UHFFFAOYSA-N 0 0 459.365 4.544 20 0 JJADRN C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC001460010428 1067525988 /nfs/dbraw/zinc/52/59/88/1067525988.db2.gz GOEIPTCWBYHTRP-XMSQKQJNSA-N 0 0 458.002 4.811 20 0 JJADRN O=C(Oc1cnc2ccc(Cl)cc2c1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001460010883 1067526099 /nfs/dbraw/zinc/52/60/99/1067526099.db2.gz GFIHNEBTPBDESK-RAXLEYEMSA-N 0 0 456.951 4.506 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)N(C(=O)OCc2ccccc2)C1 ZINC001460014900 1067528395 /nfs/dbraw/zinc/52/83/95/1067528395.db2.gz MECBDHZNMGFGQU-PFATUAPWSA-N 0 0 452.595 4.967 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)Cc2ccccc2C1 ZINC001460015519 1067528750 /nfs/dbraw/zinc/52/87/50/1067528750.db2.gz AGDHUQHCFQKZNP-UHFFFAOYSA-N 0 0 456.533 4.733 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC001460017588 1067529328 /nfs/dbraw/zinc/52/93/28/1067529328.db2.gz HPUXUMFEQYFERY-UHFFFAOYSA-N 0 0 458.505 4.988 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460017679 1067529360 /nfs/dbraw/zinc/52/93/60/1067529360.db2.gz GWLVKPIPEKTDDJ-BFUOFWGJSA-N 0 0 472.435 4.511 20 0 JJADRN CCCO[C@@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(F)cc1C ZINC001460018912 1067530238 /nfs/dbraw/zinc/53/02/38/1067530238.db2.gz IVCYUCQLBXLPIG-OAQYLSRUSA-N 0 0 452.498 4.944 20 0 JJADRN O=C(Oc1cnc2ccc(Cl)cc2c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001460021167 1067531018 /nfs/dbraw/zinc/53/10/18/1067531018.db2.gz RJBANTLIVWELCM-IBGZPJMESA-N 0 0 459.727 4.861 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460020971 1067531092 /nfs/dbraw/zinc/53/10/92/1067531092.db2.gz QRAFFNYEYUDXRC-UHFFFAOYSA-N 0 0 459.543 4.998 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@H]1c1ccc(Br)c(C)c1)[nH]c2=O ZINC001460022222 1067531378 /nfs/dbraw/zinc/53/13/78/1067531378.db2.gz IHNJLWSDTPZWSG-IBGZPJMESA-N 0 0 456.340 4.530 20 0 JJADRN Cn1c(CN2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2cc(Cl)ccc21 ZINC001460027833 1067533224 /nfs/dbraw/zinc/53/32/24/1067533224.db2.gz KTOCXRAVQILKJJ-UHFFFAOYSA-N 0 0 451.880 4.595 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)cc2)c1 ZINC001460028108 1067533540 /nfs/dbraw/zinc/53/35/40/1067533540.db2.gz CKJFCVOHBSQWGF-QHCPKHFHSA-N 0 0 456.583 4.689 20 0 JJADRN Cc1ccc(CN(Cc2cc(=O)oc3cc(O)ccc23)C[C@@H]2CCCO2)c(Br)c1 ZINC001460032768 1067534848 /nfs/dbraw/zinc/53/48/48/1067534848.db2.gz GAZRXUCKBUMKBG-IBGZPJMESA-N 0 0 458.352 4.751 20 0 JJADRN Cc1ccc(CN(CC(=O)NCCC2CCCCC2)C[C@H]2CCCO2)c(Br)c1 ZINC001460034852 1067535332 /nfs/dbraw/zinc/53/53/32/1067535332.db2.gz QICYPDNIOMCVBU-OAQYLSRUSA-N 0 0 451.449 4.825 20 0 JJADRN CC(C)C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460035737 1067535646 /nfs/dbraw/zinc/53/56/46/1067535646.db2.gz CLWDMHIVGIRPIZ-ZCNNSNEGSA-N 0 0 474.951 4.544 20 0 JJADRN O=C(CCc1ccccc1)NC1CCN(C(=O)CN(c2ccsc2)C2CCCCC2)CC1 ZINC001460038620 1067536073 /nfs/dbraw/zinc/53/60/73/1067536073.db2.gz MTZZFBWNVQWOJM-UHFFFAOYSA-N 0 0 453.652 4.627 20 0 JJADRN CC(C)[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 ZINC001460044002 1067537550 /nfs/dbraw/zinc/53/75/50/1067537550.db2.gz FSGPYWDELAKEOW-QHCPKHFHSA-N 0 0 452.551 4.857 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC001460050650 1067539284 /nfs/dbraw/zinc/53/92/84/1067539284.db2.gz FGAOQBSGLIZGDI-ZENTWMBTSA-N 0 0 458.599 4.995 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCCc2c(F)c(F)c(F)cc21)c1ccc(F)cc1 ZINC001460053750 1067540283 /nfs/dbraw/zinc/54/02/83/1067540283.db2.gz NKSGIZMIMDLFNH-INIZCTEOSA-N 0 0 452.448 4.831 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)n1 ZINC001460056133 1067540703 /nfs/dbraw/zinc/54/07/03/1067540703.db2.gz RAJJZUQRDUEDAP-JKSBSHDWSA-N 0 0 451.592 4.876 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2CCOC2CCCCCC2)CCS1 ZINC001546113585 1067541439 /nfs/dbraw/zinc/54/14/39/1067541439.db2.gz DIBJJSRGVRCUIK-UHFFFAOYSA-N 0 0 486.686 4.777 20 0 JJADRN CC[C@@H](NC(=O)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460059846 1067541937 /nfs/dbraw/zinc/54/19/37/1067541937.db2.gz NOEIEEZETXVQMB-HXUWFJFHSA-N 0 0 454.920 4.910 20 0 JJADRN FC(F)Oc1ccc(-n2nnnc2CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001460060721 1067542169 /nfs/dbraw/zinc/54/21/69/1067542169.db2.gz RAHXNXRMGJLOHL-UHFFFAOYSA-N 0 0 459.806 4.715 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1cccc(N2C(=O)N[C@H](C)C2=O)c1C ZINC001460062398 1067542990 /nfs/dbraw/zinc/54/29/90/1067542990.db2.gz OVRMPHWWNYJFQA-CQSZACIVSA-N 0 0 452.511 4.571 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1N1C(=O)CNC1=O ZINC001460063729 1067543196 /nfs/dbraw/zinc/54/31/96/1067543196.db2.gz UOTNXVWEQKZGAX-UHFFFAOYSA-N 0 0 453.857 4.888 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@@H]2C)CCS1 ZINC001546113650 1067545654 /nfs/dbraw/zinc/54/56/54/1067545654.db2.gz GAHLJKMZLNSTLU-RXFWQSSRSA-N 0 0 485.698 4.810 20 0 JJADRN CN(CC(=O)N(C)CCCOc1ccc(F)cc1)Cc1ccc(Br)cc1Cl ZINC001460071237 1067546046 /nfs/dbraw/zinc/54/60/46/1067546046.db2.gz RRJHNYAZLXLGBD-UHFFFAOYSA-N 0 0 457.771 4.601 20 0 JJADRN O=C(CN1CCCC[C@@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073236 1067546432 /nfs/dbraw/zinc/54/64/32/1067546432.db2.gz XFPBZNTVVCJRLO-JOCHJYFZSA-N 0 0 451.567 4.894 20 0 JJADRN COCC[C@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC001460073473 1067546773 /nfs/dbraw/zinc/54/67/73/1067546773.db2.gz BSPLTHMBCSYFTR-QFIPXVFZSA-N 0 0 458.480 4.873 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)n2CC ZINC001460079620 1067548419 /nfs/dbraw/zinc/54/84/19/1067548419.db2.gz BYTPGPTZIDTWOX-SFHVURJKSA-N 0 0 450.366 4.753 20 0 JJADRN COC(=O)[C@@H](NCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(Cl)c1 ZINC001460080184 1067548495 /nfs/dbraw/zinc/54/84/95/1067548495.db2.gz UWRVTFMPDXIATA-FQEVSTJZSA-N 0 0 454.995 4.580 20 0 JJADRN COc1ccccc1O[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001460081478 1067548898 /nfs/dbraw/zinc/54/88/98/1067548898.db2.gz ZNNHGRRLTSBEAN-UNMCSNQZSA-N 0 0 458.558 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN2CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC001460081929 1067548948 /nfs/dbraw/zinc/54/89/48/1067548948.db2.gz PSMSSMFUKIQENP-UHFFFAOYSA-N 0 0 451.567 4.893 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001460081475 1067549056 /nfs/dbraw/zinc/54/90/56/1067549056.db2.gz ZNNHGRRLTSBEAN-RBBKRZOGSA-N 0 0 458.558 4.797 20 0 JJADRN CC(C)(C)c1ccc(NC(=O)CN(CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC001460086356 1067550066 /nfs/dbraw/zinc/55/00/66/1067550066.db2.gz OMRWEJYEXRKOHF-UHFFFAOYSA-N 0 0 459.388 4.677 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(CN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001460088606 1067551243 /nfs/dbraw/zinc/55/12/43/1067551243.db2.gz GVOMTXNCHSKKJM-UHFFFAOYSA-N 0 0 454.436 4.607 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC001460089566 1067551690 /nfs/dbraw/zinc/55/16/90/1067551690.db2.gz IVFQIAHFMRRXNG-IBGZPJMESA-N 0 0 459.974 4.980 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1(c2ccccc2Br)CCCCC1 ZINC001460091019 1067552179 /nfs/dbraw/zinc/55/21/79/1067552179.db2.gz BEIGQRXJUFTOIV-UHFFFAOYSA-N 0 0 457.290 4.605 20 0 JJADRN CC(C)(C(=O)Nc1nc(C(F)(F)F)c(I)s1)c1cccc(F)c1 ZINC001460095761 1067553466 /nfs/dbraw/zinc/55/34/66/1067553466.db2.gz AGGWAPUNONHGFM-UHFFFAOYSA-N 0 0 458.218 4.822 20 0 JJADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001460097163 1067553962 /nfs/dbraw/zinc/55/39/62/1067553962.db2.gz GALFCBZLZXVPLG-DNQXCXABSA-N 0 0 451.014 4.960 20 0 JJADRN Cc1ccc(C[C@H](C)C(=O)Nc2nc(C(F)(F)F)c(I)s2)cc1 ZINC001460100532 1067554962 /nfs/dbraw/zinc/55/49/62/1067554962.db2.gz OGLZJEPQHGJSOT-VIFPVBQESA-N 0 0 454.255 4.892 20 0 JJADRN Cc1cc(C(=O)Nc2cc(N3CCOCC3)ccc2Br)cc(C)c1OC(F)F ZINC001460104380 1067555849 /nfs/dbraw/zinc/55/58/49/1067555849.db2.gz FUTHQJJMMWDLMB-UHFFFAOYSA-N 0 0 455.299 4.756 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)ccc1Br ZINC001460106662 1067556237 /nfs/dbraw/zinc/55/62/37/1067556237.db2.gz ROJARXRNIGKEGC-MSOLQXFVSA-N 0 0 450.398 4.556 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H](C)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104970 1067556245 /nfs/dbraw/zinc/55/62/45/1067556245.db2.gz JPKZWAJZGFERIM-GCJKJVERSA-N 0 0 459.631 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC001460106770 1067556643 /nfs/dbraw/zinc/55/66/43/1067556643.db2.gz RWZAYUJWZMNFSU-NRFANRHFSA-N 0 0 451.007 4.969 20 0 JJADRN NC(=O)CCN(C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCOc2ccccc21 ZINC001460110290 1067556908 /nfs/dbraw/zinc/55/69/08/1067556908.db2.gz IELOHUWUESIJSU-FDWYHIAWSA-N 0 0 452.860 4.514 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)C1 ZINC001460112438 1067557337 /nfs/dbraw/zinc/55/73/37/1067557337.db2.gz PCWYOUJBXIYTTL-QWHCGFSZSA-N 0 0 452.780 4.874 20 0 JJADRN O=C(Nc1c(F)cccc1C(=O)OCc1ccccc1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001460114977 1067558426 /nfs/dbraw/zinc/55/84/26/1067558426.db2.gz KIJLXKYWTZHQKL-FQEVSTJZSA-N 0 0 454.404 4.593 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccccc2OCCOc2ccccc2)ncc1Br ZINC001460121197 1067559288 /nfs/dbraw/zinc/55/92/88/1067559288.db2.gz XLISHDQYQUHWBP-UHFFFAOYSA-N 0 0 456.340 4.620 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(c3cccc(F)n3)CC2)cc1 ZINC001460135405 1067561996 /nfs/dbraw/zinc/56/19/96/1067561996.db2.gz NHYNGQAJIMAQGS-UHFFFAOYSA-N 0 0 454.933 4.736 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1ccc(SC)c(OC)c1 ZINC001460136644 1067562455 /nfs/dbraw/zinc/56/24/55/1067562455.db2.gz REQLWAQRTYRKGC-IBGZPJMESA-N 0 0 454.386 4.534 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN[C@@H](CCO)c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001460137812 1067562724 /nfs/dbraw/zinc/56/27/24/1067562724.db2.gz AFUOIFPPOYBNTK-IBGZPJMESA-N 0 0 450.482 4.829 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(Cl)c4)C[C@@H]3C)cs2)cc1 ZINC001460137752 1067562735 /nfs/dbraw/zinc/56/27/35/1067562735.db2.gz HTLRHSCDVOMJNQ-SFHVURJKSA-N 0 0 455.027 4.997 20 0 JJADRN COc1ccc([C@@H](NC(=O)CN2CCC(c3nc(C(F)(F)F)cs3)CC2)C2CC2)cc1 ZINC001460137875 1067562845 /nfs/dbraw/zinc/56/28/45/1067562845.db2.gz AXNKBBDKOMBMAU-FQEVSTJZSA-N 0 0 453.530 4.617 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1 ZINC001460142201 1067563546 /nfs/dbraw/zinc/56/35/46/1067563546.db2.gz AXHXXYYSTACBTM-AREMUKBSSA-N 0 0 451.567 4.610 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2cc(F)c(F)cc2Br)cc1OC ZINC001460145171 1067564191 /nfs/dbraw/zinc/56/41/91/1067564191.db2.gz YBIOUPNBCMPVFD-UHFFFAOYSA-N 0 0 458.299 4.506 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460144546 1067564197 /nfs/dbraw/zinc/56/41/97/1067564197.db2.gz KOAKCXIBWQYTBD-HZPDHXFCSA-N 0 0 451.445 4.747 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CCS1 ZINC001546114183 1067564247 /nfs/dbraw/zinc/56/42/47/1067564247.db2.gz YDAWCYGHXYPTLT-IBGZPJMESA-N 0 0 477.744 4.823 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001460144587 1067564282 /nfs/dbraw/zinc/56/42/82/1067564282.db2.gz ULBKMFGJRAJXCP-KRWDZBQOSA-N 0 0 455.584 4.720 20 0 JJADRN CCSCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC001460145888 1067564448 /nfs/dbraw/zinc/56/44/48/1067564448.db2.gz UWZQJFQUJXNDFL-UHFFFAOYSA-N 0 0 452.601 4.943 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3OC)CCC2)CCS1 ZINC001546114195 1067564528 /nfs/dbraw/zinc/56/45/28/1067564528.db2.gz YNWSNKLCBHTLEE-UHFFFAOYSA-N 0 0 485.698 4.659 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC=C(c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460147330 1067564991 /nfs/dbraw/zinc/56/49/91/1067564991.db2.gz RQWNFPCYYQRLRZ-IRXDYDNUSA-N 0 0 453.608 4.561 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152052 1067566138 /nfs/dbraw/zinc/56/61/38/1067566138.db2.gz STWLZRQUVMWLMA-WUFINQPMSA-N 0 0 450.623 4.878 20 0 JJADRN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001460164335 1067567971 /nfs/dbraw/zinc/56/79/71/1067567971.db2.gz NZBBGDGKTBXUIU-ICSRJNTNSA-N 0 0 454.324 4.682 20 0 JJADRN COc1c(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)ccc2ccccc21 ZINC001460165454 1067568021 /nfs/dbraw/zinc/56/80/21/1067568021.db2.gz OKZVBJIEBQZKBC-UHFFFAOYSA-N 0 0 459.951 4.896 20 0 JJADRN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460167050 1067568389 /nfs/dbraw/zinc/56/83/89/1067568389.db2.gz RSEBEPBJVDXNQM-SFHVURJKSA-N 0 0 457.398 4.931 20 0 JJADRN Cc1ccc(OC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1Br ZINC001460165733 1067568437 /nfs/dbraw/zinc/56/84/37/1067568437.db2.gz PDVSGGKHSPNMNA-UHFFFAOYSA-N 0 0 450.288 4.773 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN1CCN(c3ccc(Cl)cc3)CC1(C)C)n2CC ZINC001460171908 1067569823 /nfs/dbraw/zinc/56/98/23/1067569823.db2.gz KNTZYVFLPWOABH-UHFFFAOYSA-N 0 0 455.002 4.987 20 0 JJADRN C[C@H](N[C@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175599 1067571180 /nfs/dbraw/zinc/57/11/80/1067571180.db2.gz VLMWJKJOAMYOOG-XXFAHNHDSA-N 0 0 450.135 4.545 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC(C)(C)c2ccccn2)cc1 ZINC001460177259 1067571407 /nfs/dbraw/zinc/57/14/07/1067571407.db2.gz MFVDMFMDCGIHEW-UHFFFAOYSA-N 0 0 454.617 4.734 20 0 JJADRN COCCOC1(CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCOCC1 ZINC001460175869 1067571505 /nfs/dbraw/zinc/57/15/05/1067571505.db2.gz DCDYSEBANQBGLK-UHFFFAOYSA-N 0 0 454.350 4.728 20 0 JJADRN O[C@@H](CN(CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176722 1067571619 /nfs/dbraw/zinc/57/16/19/1067571619.db2.gz RQNVYCJSTARTQG-IBGZPJMESA-N 0 0 450.284 4.733 20 0 JJADRN O=C(CN1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179398 1067572294 /nfs/dbraw/zinc/57/22/94/1067572294.db2.gz NENGCMQIWWSWJR-RDPSFJRHSA-N 0 0 453.380 4.986 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC001460180190 1067572417 /nfs/dbraw/zinc/57/24/17/1067572417.db2.gz LBYITBYKEXLUHL-INIZCTEOSA-N 0 0 456.377 4.502 20 0 JJADRN C[C@H](NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(Br)cc1F ZINC001460181110 1067572615 /nfs/dbraw/zinc/57/26/15/1067572615.db2.gz GDIQEVVYBRKDBV-NSHDSACASA-N 0 0 457.344 4.582 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)c1nc(NCc2ccco2)ncc1Cl)C(=O)OC(C)(C)C ZINC001460182126 1067573004 /nfs/dbraw/zinc/57/30/04/1067573004.db2.gz WQRGTGKQTCBKFH-MRXNPFEDSA-N 0 0 450.967 4.602 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)c1nc(NCc2ccco2)ncc1Cl)C(=O)OC(C)(C)C ZINC001460182125 1067573164 /nfs/dbraw/zinc/57/31/64/1067573164.db2.gz WQRGTGKQTCBKFH-INIZCTEOSA-N 0 0 450.967 4.602 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1Br ZINC001460186632 1067574611 /nfs/dbraw/zinc/57/46/11/1067574611.db2.gz DZKOEUPAFFWFAF-UHFFFAOYSA-N 0 0 456.667 4.957 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001460191273 1067575228 /nfs/dbraw/zinc/57/52/28/1067575228.db2.gz WNYBRAQPOBDODM-IBGZPJMESA-N 0 0 450.583 4.876 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192050 1067575722 /nfs/dbraw/zinc/57/57/22/1067575722.db2.gz CJKWBESGQYBNAN-KOSHJBKYSA-N 0 0 459.993 4.752 20 0 JJADRN CCc1cc2oc(=O)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C(F)F)c2cc1Cl ZINC001460192892 1067575756 /nfs/dbraw/zinc/57/57/56/1067575756.db2.gz GFRZHGNIAHKBMY-KRWDZBQOSA-N 0 0 456.917 4.695 20 0 JJADRN COc1ccccc1CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)OC ZINC001460193949 1067576053 /nfs/dbraw/zinc/57/60/53/1067576053.db2.gz SLICMMJZNZCMDW-NRFANRHFSA-N 0 0 453.926 4.683 20 0 JJADRN CC[C@@H]1C[C@H]1CNC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC001460194728 1067576204 /nfs/dbraw/zinc/57/62/04/1067576204.db2.gz IMHXUYOHEOQGCD-UXHICEINSA-N 0 0 450.608 4.718 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460196239 1067576464 /nfs/dbraw/zinc/57/64/64/1067576464.db2.gz KQETZDZLCHLYKV-FCHUYYIVSA-N 0 0 453.583 4.989 20 0 JJADRN CC(C)[C@H]1C[C@H](CNC(=O)CCCCCc2ccc(I)cc2)CCO1 ZINC001460198639 1067577299 /nfs/dbraw/zinc/57/72/99/1067577299.db2.gz DRPHYQYVSFHFBD-UYAOXDASSA-N 0 0 457.396 4.962 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN1CCCc2ccc(Br)c(C)c21 ZINC001460200618 1067578002 /nfs/dbraw/zinc/57/80/02/1067578002.db2.gz JWPCKDCJOCKREU-UHFFFAOYSA-N 0 0 451.386 4.695 20 0 JJADRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201534 1067578194 /nfs/dbraw/zinc/57/81/94/1067578194.db2.gz ZHHVGPXBTHLIAE-KNQAVFIVSA-N 0 0 455.599 4.866 20 0 JJADRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccccc2N(C)C)cc1 ZINC001460201581 1067578221 /nfs/dbraw/zinc/57/82/21/1067578221.db2.gz FWDAAOPSAZXIKR-MHZLTWQESA-N 0 0 456.590 4.571 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001460205423 1067578658 /nfs/dbraw/zinc/57/86/58/1067578658.db2.gz SKUPQGQEFSRNDU-GOSISDBHSA-N 0 0 454.929 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207065 1067578976 /nfs/dbraw/zinc/57/89/76/1067578976.db2.gz IATFBQBDVREXMQ-RBZQAINGSA-N 0 0 467.585 4.704 20 0 JJADRN CC(C)[C@H](C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001460207846 1067579343 /nfs/dbraw/zinc/57/93/43/1067579343.db2.gz BCLZANQNNQLPHZ-WDYCEAGBSA-N 0 0 453.421 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC001460207312 1067579398 /nfs/dbraw/zinc/57/93/98/1067579398.db2.gz DRTXLNFPAFVLNI-UNMCSNQZSA-N 0 0 459.631 4.928 20 0 JJADRN Cc1cccc(NC(=O)CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001460209149 1067579611 /nfs/dbraw/zinc/57/96/11/1067579611.db2.gz RPFMUCBJNVFHHB-JTHBVZDNSA-N 0 0 455.574 4.764 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCOCC2)CCS1 ZINC001546114686 1067581113 /nfs/dbraw/zinc/58/11/13/1067581113.db2.gz BURSVCILHONXRC-UHFFFAOYSA-N 0 0 495.089 4.651 20 0 JJADRN O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001460213789 1067581119 /nfs/dbraw/zinc/58/11/19/1067581119.db2.gz MTGBMKLGYGIYKM-FPOVZHCZSA-N 0 0 457.368 4.566 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cccnc2OC)CCS1 ZINC001546114706 1067581831 /nfs/dbraw/zinc/58/18/31/1067581831.db2.gz CQMZJSSDIBDOGZ-UHFFFAOYSA-N 0 0 483.638 4.526 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnnn2C)CCS1 ZINC001546114705 1067581911 /nfs/dbraw/zinc/58/19/11/1067581911.db2.gz COHQNKXMZCHMFN-UHFFFAOYSA-N 0 0 483.686 4.659 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC2)CCS1 ZINC001546114745 1067582080 /nfs/dbraw/zinc/58/20/80/1067582080.db2.gz FGBSZTPPOYAFIB-IBGZPJMESA-N 0 0 474.671 4.889 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)COC)CCS1 ZINC001546114724 1067582169 /nfs/dbraw/zinc/58/21/69/1067582169.db2.gz DCWXGUVNYXRTCR-INIZCTEOSA-N 0 0 454.587 4.941 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460220434 1067582726 /nfs/dbraw/zinc/58/27/26/1067582726.db2.gz PJQNKOFLVJABSN-UHFFFAOYSA-N 0 0 451.325 4.865 20 0 JJADRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1nnn(-c2ccccc2)c1C(F)F ZINC001460226637 1067584350 /nfs/dbraw/zinc/58/43/50/1067584350.db2.gz ITCSLFNWVILDSA-CQSZACIVSA-N 0 0 451.246 4.524 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)CCS1 ZINC001546114921 1067585848 /nfs/dbraw/zinc/58/58/48/1067585848.db2.gz KTWHSSCUOBYPIK-UHFFFAOYSA-N 0 0 489.487 4.910 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC(=O)N2C)cc1 ZINC001460233792 1067586139 /nfs/dbraw/zinc/58/61/39/1067586139.db2.gz ULCAZNMSCOVNSA-VWNXMTODSA-N 0 0 454.998 4.886 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CCS1 ZINC001546114952 1067586281 /nfs/dbraw/zinc/58/62/81/1067586281.db2.gz LZUJBTKJWNUJPL-HXUWFJFHSA-N 0 0 453.077 4.579 20 0 JJADRN Cc1ccccc1-c1nc(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)no1 ZINC001460232661 1067586297 /nfs/dbraw/zinc/58/62/97/1067586297.db2.gz JAKZFGLSQMPKFO-LEWJYISDSA-N 0 0 452.530 4.677 20 0 JJADRN NC(=O)COc1cccc2c1CCCN2C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001460233949 1067586502 /nfs/dbraw/zinc/58/65/02/1067586502.db2.gz LVDQVVHVQAEUTR-XMMPIXPASA-N 0 0 450.535 4.503 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)o3)n2CCCOCC2CCOCC2)CCS1 ZINC001546114988 1067586922 /nfs/dbraw/zinc/58/69/22/1067586922.db2.gz NFMFZTNRHXZVEA-UHFFFAOYSA-N 0 0 462.660 4.792 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237350 1067587451 /nfs/dbraw/zinc/58/74/51/1067587451.db2.gz LPGKDERWDZGESI-NQIIRXRSSA-N 0 0 456.656 4.670 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)C3(c4cc(Br)ccc4OC)CC3)C2)cc1 ZINC001460238301 1067587955 /nfs/dbraw/zinc/58/79/55/1067587955.db2.gz CQKZLEQXNMHNRZ-GOSISDBHSA-N 0 0 458.396 4.979 20 0 JJADRN CN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240110 1067588571 /nfs/dbraw/zinc/58/85/71/1067588571.db2.gz WQJYUNBYKKOCOK-HSZRJFAPSA-N 0 0 453.380 4.644 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccccc1F ZINC001460241367 1067589151 /nfs/dbraw/zinc/58/91/51/1067589151.db2.gz ONEZXGAUZSPSPZ-GHTZIAJQSA-N 0 0 454.571 4.837 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001460243118 1067589496 /nfs/dbraw/zinc/58/94/96/1067589496.db2.gz VGDGARUUOITCBF-MFSJNOQSSA-N 0 0 450.645 4.593 20 0 JJADRN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245139 1067590275 /nfs/dbraw/zinc/59/02/75/1067590275.db2.gz ZLOCTPHFPQNVGA-SMKKKYSBSA-N 0 0 481.612 4.875 20 0 JJADRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001460245402 1067590367 /nfs/dbraw/zinc/59/03/67/1067590367.db2.gz ZLNRDWOAEFHURV-KBMXLJTQSA-N 0 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457.361 4.851 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc21 ZINC001460273119 1067595438 /nfs/dbraw/zinc/59/54/38/1067595438.db2.gz QQRDAVWEACDSKA-HXUWFJFHSA-N 0 0 457.361 4.851 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccccc2OCc2cscn2)sc1C(F)(F)F ZINC001460274312 1067595636 /nfs/dbraw/zinc/59/56/36/1067595636.db2.gz JWJQKVFUACPBLJ-UHFFFAOYSA-N 0 0 457.455 4.626 20 0 JJADRN Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)CCCOc2ccccc2F)n1 ZINC001460273827 1067595778 /nfs/dbraw/zinc/59/57/78/1067595778.db2.gz ZFYUFGSXSNBZEN-UHFFFAOYSA-N 0 0 453.905 4.998 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1c1ccc(F)cc1F ZINC001460276979 1067596034 /nfs/dbraw/zinc/59/60/34/1067596034.db2.gz LYYIXNSPNSINGS-QWHCGFSZSA-N 0 0 477.722 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279475 1067596628 /nfs/dbraw/zinc/59/66/28/1067596628.db2.gz LDLGZOGZNIWARB-YMPZKCBVSA-N 0 0 455.643 4.589 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1ccccc1 ZINC001460280983 1067597491 /nfs/dbraw/zinc/59/74/91/1067597491.db2.gz BERQFNLCJLJJJF-GOSISDBHSA-N 0 0 454.395 4.867 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)CCCc1ccccc1Br)c1ccccc1 ZINC001460281926 1067597563 /nfs/dbraw/zinc/59/75/63/1067597563.db2.gz GDZHBYFVCWHCRS-LJQANCHMSA-N 0 0 454.311 4.828 20 0 JJADRN O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001460283392 1067597802 /nfs/dbraw/zinc/59/78/02/1067597802.db2.gz AWFTYYDTPKVRJY-UHFFFAOYSA-N 0 0 457.958 4.942 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H](c2ccccc2)C(F)(F)C(=O)OCC)cc1OC ZINC001460285296 1067598585 /nfs/dbraw/zinc/59/85/85/1067598585.db2.gz UYPCELSKCDJMMU-LJQANCHMSA-N 0 0 455.885 4.807 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)C(=O)OCC)cc1OC ZINC001460285272 1067598626 /nfs/dbraw/zinc/59/86/26/1067598626.db2.gz UYPCELSKCDJMMU-IBGZPJMESA-N 0 0 455.885 4.807 20 0 JJADRN COC(=O)c1cc(Br)c(CN2CCc3c2cccc3Br)cc1OC ZINC001460288358 1067599689 /nfs/dbraw/zinc/59/96/89/1067599689.db2.gz YIHHNAOKHDCHGF-UHFFFAOYSA-N 0 0 455.146 4.570 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)COC)CCS1 ZINC001546115292 1067599954 /nfs/dbraw/zinc/59/99/54/1067599954.db2.gz ZAKCDYPTARYYIR-SFHVURJKSA-N 0 0 454.644 4.730 20 0 JJADRN COC1([C@H](C)NCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCOCC1 ZINC001460293152 1067599970 /nfs/dbraw/zinc/59/99/70/1067599970.db2.gz CLVMWXTVNLICHY-AWEZNQCLSA-N 0 0 457.518 4.520 20 0 JJADRN O=C(O[C@@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001460301489 1067602244 /nfs/dbraw/zinc/60/22/44/1067602244.db2.gz XVRSWDOCKUBWOA-CWTRNNRKSA-N 0 0 450.279 4.701 20 0 JJADRN CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1CO ZINC001460306547 1067603745 /nfs/dbraw/zinc/60/37/45/1067603745.db2.gz VELOWZWIBURJFK-UHFFFAOYSA-N 0 0 457.452 4.525 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC001460307079 1067603805 /nfs/dbraw/zinc/60/38/05/1067603805.db2.gz HLHGNQLBJINZNG-XZOQPEGZSA-N 0 0 477.605 4.840 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)OCc1cn(CC(F)(F)c2ccccc2)nn1 ZINC001460308468 1067604210 /nfs/dbraw/zinc/60/42/10/1067604210.db2.gz CVKJYDLXWOJLLC-UHFFFAOYSA-N 0 0 450.283 4.806 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)n1 ZINC001460307136 1067604278 /nfs/dbraw/zinc/60/42/78/1067604278.db2.gz HPZBSSKSJPKMAU-UHFFFAOYSA-N 0 0 452.356 4.573 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N[C@](C)(Cc3ccc(Cl)cc3)C(C)C)cn2)cc1OC ZINC001460315535 1067605808 /nfs/dbraw/zinc/60/58/08/1067605808.db2.gz XVEKVKRDULGRHU-RUZDIDTESA-N 0 0 455.986 4.989 20 0 JJADRN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315310 1067605849 /nfs/dbraw/zinc/60/58/49/1067605849.db2.gz ZHIPUCGJGIPVMY-MRXNPFEDSA-N 0 0 459.537 4.604 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)c1ccccc1 ZINC001460316997 1067606479 /nfs/dbraw/zinc/60/64/79/1067606479.db2.gz QENZQPGSTNGFTE-ROUUACIJSA-N 0 0 454.311 4.999 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318554 1067606702 /nfs/dbraw/zinc/60/67/02/1067606702.db2.gz RMYAQTVBQAPBBI-HOJAQTOUSA-N 0 0 458.521 4.838 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1)[C@H]1C[C@@H]1C ZINC001460320229 1067607359 /nfs/dbraw/zinc/60/73/59/1067607359.db2.gz DGSQTWBOARQLDK-QKKBWIMNSA-N 0 0 453.340 4.648 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)nn1-c1ccccc1Cl ZINC001460324535 1067608039 /nfs/dbraw/zinc/60/80/39/1067608039.db2.gz SXRFONMQEUGMOF-BTYIYWSLSA-N 0 0 451.958 4.887 20 0 JJADRN O=C(O[C@H]1CCCc2c(F)cc(F)cc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001460323660 1067608058 /nfs/dbraw/zinc/60/80/58/1067608058.db2.gz CNJJACVOSNKQPI-FQEVSTJZSA-N 0 0 455.910 4.637 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001460327023 1067608871 /nfs/dbraw/zinc/60/88/71/1067608871.db2.gz SVSMZSCSXBISNU-IIBYNOLFSA-N 0 0 451.473 4.634 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1)[C@@H]1C[C@@H]1C ZINC001460326066 1067608883 /nfs/dbraw/zinc/60/88/83/1067608883.db2.gz XDGSXERZVAMZEU-NPMXOYFQSA-N 0 0 458.555 4.556 20 0 JJADRN CC1(C)C[C@@](C)(NC[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C(=O)O1 ZINC001460328443 1067609434 /nfs/dbraw/zinc/60/94/34/1067609434.db2.gz UNTIWNMTZNYOBD-AUSIDOKSSA-N 0 0 452.378 4.534 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2C[C@H](CC)OC[C@H]2C)sc(Cl)c1-c1ccccc1 ZINC001460332615 1067609815 /nfs/dbraw/zinc/60/98/15/1067609815.db2.gz BTJMZBVNSWPLSM-ZBFHGGJFSA-N 0 0 450.988 4.683 20 0 JJADRN COCCN(Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460333638 1067610355 /nfs/dbraw/zinc/61/03/55/1067610355.db2.gz VFNRGNHRVCJEGI-UHFFFAOYSA-N 0 0 455.580 4.653 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338385 1067611456 /nfs/dbraw/zinc/61/14/56/1067611456.db2.gz BDNGBCCAEROITD-QGZVFWFLSA-N 0 0 450.377 4.509 20 0 JJADRN COc1cc(C(=O)NC/C=C/c2ccc(Br)cc2)cc(OC)c1Br ZINC001460344127 1067612782 /nfs/dbraw/zinc/61/27/82/1067612782.db2.gz PRTSOHPRDZKAPG-ONEGZZNKSA-N 0 0 455.146 4.672 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NC/C=C/c2ccc(Br)cc2)c1 ZINC001460344123 1067612802 /nfs/dbraw/zinc/61/28/02/1067612802.db2.gz PLOZVWXTJYTBGE-ONEGZZNKSA-N 0 0 455.146 4.672 20 0 JJADRN COc1cc(C(=O)NC/C=C\c2ccc(Br)cc2)cc(OC)c1Br ZINC001460344125 1067612862 /nfs/dbraw/zinc/61/28/62/1067612862.db2.gz PRTSOHPRDZKAPG-ARJAWSKDSA-N 0 0 455.146 4.672 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001460342928 1067612871 /nfs/dbraw/zinc/61/28/71/1067612871.db2.gz DCKPHPNIMHJLNB-BFUOFWGJSA-N 0 0 455.860 4.661 20 0 JJADRN CC(=O)N[C@@H](C(=O)Oc1ccc(OCC2CC2)c(Cl)c1)c1cccc(Br)c1 ZINC001460342830 1067612894 /nfs/dbraw/zinc/61/28/94/1067612894.db2.gz HNHAXUDASGYUHK-LJQANCHMSA-N 0 0 452.732 4.674 20 0 JJADRN Cc1cc(NC(=O)CN2CCN(c3cc(Cl)ccc3Cl)CC2)n(-c2ccc(C)cc2)n1 ZINC001460345899 1067613319 /nfs/dbraw/zinc/61/33/19/1067613319.db2.gz XFFLVBFKLJBXJN-UHFFFAOYSA-N 0 0 458.393 4.557 20 0 JJADRN CCn1cc(CN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C(C)C)cn1 ZINC001460345835 1067613418 /nfs/dbraw/zinc/61/34/18/1067613418.db2.gz RBKRTUVVEAERBO-JOCHJYFZSA-N 0 0 453.974 4.738 20 0 JJADRN COc1ccc2c(c1)OC[C@H]2CC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001460348148 1067613677 /nfs/dbraw/zinc/61/36/77/1067613677.db2.gz BWZGNKNOUTWUHJ-CYBMUJFWSA-N 0 0 450.760 4.825 20 0 JJADRN CCc1nc(C(C)C)ccc1COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001460352825 1067615044 /nfs/dbraw/zinc/61/50/44/1067615044.db2.gz MCJUNGNBARBINX-UHFFFAOYSA-N 0 0 456.542 4.963 20 0 JJADRN C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460352957 1067615068 /nfs/dbraw/zinc/61/50/68/1067615068.db2.gz FFTMWCAZJXTVPS-CYBMUJFWSA-N 0 0 458.842 4.804 20 0 JJADRN Cc1ccc(I)c(C(=O)O[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001460355607 1067615801 /nfs/dbraw/zinc/61/58/01/1067615801.db2.gz VGEDAICBJWIAMN-CYBMUJFWSA-N 0 0 450.251 4.842 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001460356260 1067616397 /nfs/dbraw/zinc/61/63/97/1067616397.db2.gz OCOZSTNQHZWOIW-GOSISDBHSA-N 0 0 458.183 4.792 20 0 JJADRN O=C(CN1CCCC[C@@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358175 1067617242 /nfs/dbraw/zinc/61/72/42/1067617242.db2.gz VJUKYJZKNAQORS-HSZRJFAPSA-N 0 0 459.565 4.791 20 0 JJADRN O=C(CN1CCCC[C@H]1Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460358176 1067617287 /nfs/dbraw/zinc/61/72/87/1067617287.db2.gz VJUKYJZKNAQORS-QHCPKHFHSA-N 0 0 459.565 4.791 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001460357925 1067617449 /nfs/dbraw/zinc/61/74/49/1067617449.db2.gz DYIYOCHSQGPEPC-QKKBWIMNSA-N 0 0 475.939 4.924 20 0 JJADRN COC(=O)c1c(NC(=O)CN2CCc3ccc(Cl)c(Cl)c3C2)sc2c1CCCC2 ZINC001460360777 1067618314 /nfs/dbraw/zinc/61/83/14/1067618314.db2.gz HLYSISJLBMRJKU-UHFFFAOYSA-N 0 0 453.391 4.717 20 0 JJADRN COC(=O)[C@@H]1CCN(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]2CCCC[C@H]12 ZINC001460360389 1067618335 /nfs/dbraw/zinc/61/83/35/1067618335.db2.gz ICRKKNLRRPEQHQ-SFHLNBCPSA-N 0 0 455.624 4.728 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CN1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001460363173 1067618644 /nfs/dbraw/zinc/61/86/44/1067618644.db2.gz KSJLFOAMGVXFTP-LHSJRXKWSA-N 0 0 467.791 4.820 20 0 JJADRN CCOC(=O)C1=C(CN[C@@H](c2ccccc2F)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460366387 1067619431 /nfs/dbraw/zinc/61/94/31/1067619431.db2.gz WFQFEMZPQNBQOU-FGZHOGPDSA-N 0 0 459.949 4.637 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)c1 ZINC001460367663 1067619912 /nfs/dbraw/zinc/61/99/12/1067619912.db2.gz UPVQBMDFERJKTB-UHFFFAOYSA-N 0 0 453.441 4.771 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c(Br)c1 ZINC001460368544 1067620075 /nfs/dbraw/zinc/62/00/75/1067620075.db2.gz JNRXBSUNRNPBOD-INIZCTEOSA-N 0 0 450.348 4.572 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460370688 1067620430 /nfs/dbraw/zinc/62/04/30/1067620430.db2.gz VQGANBNDEHZPJM-OAHLLOKOSA-N 0 0 452.339 4.814 20 0 JJADRN COc1nc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c(C)cc1C ZINC001460377311 1067621722 /nfs/dbraw/zinc/62/17/22/1067621722.db2.gz IVCOVRWJJAHCTE-UHFFFAOYSA-N 0 0 450.878 4.518 20 0 JJADRN COc1nc(COC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c(C)cc1C ZINC001460380125 1067622573 /nfs/dbraw/zinc/62/25/73/1067622573.db2.gz FIYBVJJAJGQINM-UHFFFAOYSA-N 0 0 453.848 4.981 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1OC1CCCC1 ZINC001460382931 1067622814 /nfs/dbraw/zinc/62/28/14/1067622814.db2.gz TZPJVCXFADJJOK-UHFFFAOYSA-N 0 0 456.586 4.915 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460384247 1067623337 /nfs/dbraw/zinc/62/33/37/1067623337.db2.gz XZWZKWJHMBOZED-UHFFFAOYSA-N 0 0 453.542 4.557 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@@H](OC)c2ccc(Cl)cc2)CCS1 ZINC001546115949 1067624291 /nfs/dbraw/zinc/62/42/91/1067624291.db2.gz BBUBGZWFMOMVCX-HXUWFJFHSA-N 0 0 473.046 4.888 20 0 JJADRN Cc1nc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)nc2ccccc12 ZINC001460391088 1067624885 /nfs/dbraw/zinc/62/48/85/1067624885.db2.gz NXQPYEMNGSMCRJ-FYYLOGMGSA-N 0 0 450.558 4.960 20 0 JJADRN O=C([N-][C@H]1C[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460393608 1067625751 /nfs/dbraw/zinc/62/57/51/1067625751.db2.gz REGGFULKLXRYNJ-MUGJNUQGSA-N 0 0 456.430 4.711 20 0 JJADRN O=C(O[C@@H](c1cccc(Br)n1)C(F)(F)F)c1nc(F)ccc1Br ZINC001460398251 1067626543 /nfs/dbraw/zinc/62/65/43/1067626543.db2.gz BIOJNUQSQIYVKI-NSHDSACASA-N 0 0 458.003 4.601 20 0 JJADRN O=C(Cc1cc(F)cc2c1OCOC2)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460396908 1067626613 /nfs/dbraw/zinc/62/66/13/1067626613.db2.gz YCWVFCGIVICPIH-UHFFFAOYSA-N 0 0 457.299 4.626 20 0 JJADRN C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460398353 1067626626 /nfs/dbraw/zinc/62/66/26/1067626626.db2.gz BLXKMANAZSXIQM-VWLOTQADSA-N 0 0 455.602 4.582 20 0 JJADRN COc1ccc(C(=O)OCc2cc(Br)cnc2Cl)c(OCCOC(C)C)c1 ZINC001460400704 1067626931 /nfs/dbraw/zinc/62/69/31/1067626931.db2.gz GSTLBGTUNKCHCM-UHFFFAOYSA-N 0 0 458.736 4.667 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404806 1067627836 /nfs/dbraw/zinc/62/78/36/1067627836.db2.gz DAZVZJRWSDMOKH-GHTZIAJQSA-N 0 0 459.631 4.764 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(CC(=O)NCCc3nc4ccccc4s3)CC2)n1 ZINC001460405104 1067628229 /nfs/dbraw/zinc/62/82/29/1067628229.db2.gz QNVMUHWBIFHXFU-UHFFFAOYSA-N 0 0 456.681 4.664 20 0 JJADRN O=C(O[C@@H](c1cccc(Br)n1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F ZINC001460406601 1067628813 /nfs/dbraw/zinc/62/88/13/1067628813.db2.gz TUEYLESPOMPQOL-INIZCTEOSA-N 0 0 456.193 4.901 20 0 JJADRN Cc1c(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)nnn1-c1ccc(C)cc1 ZINC001460407979 1067628875 /nfs/dbraw/zinc/62/88/75/1067628875.db2.gz WDUQIPGCVMMPBS-INIZCTEOSA-N 0 0 455.234 4.502 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)Br)CCS1 ZINC001546116114 1067630204 /nfs/dbraw/zinc/63/02/04/1067630204.db2.gz HTYXWPLPOVFLCB-UHFFFAOYSA-N 0 0 460.392 4.748 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccc2ccccc2c1 ZINC001460411911 1067630283 /nfs/dbraw/zinc/63/02/83/1067630283.db2.gz SKVUQPMCESIDOP-HZPDHXFCSA-N 0 0 455.480 4.922 20 0 JJADRN Cc1cc(C)c(N2CC[C@H](N3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)C2=O)c(C)c1 ZINC001460413435 1067630707 /nfs/dbraw/zinc/63/07/07/1067630707.db2.gz ARFSZYNKEQWIQK-FCEWJHQRSA-N 0 0 470.249 4.545 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cscc1Br ZINC001460424278 1067632208 /nfs/dbraw/zinc/63/22/08/1067632208.db2.gz FNPSEQFHLGVAAC-UHFFFAOYSA-N 0 0 451.367 4.588 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546116178 1067632259 /nfs/dbraw/zinc/63/22/59/1067632259.db2.gz KCVXDNISHNOOCD-QGZVFWFLSA-N 0 0 451.681 4.771 20 0 JJADRN NC(=O)c1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cs1 ZINC001460427332 1067632678 /nfs/dbraw/zinc/63/26/78/1067632678.db2.gz KEVZPKQERFGOQA-UHFFFAOYSA-N 0 0 456.980 4.629 20 0 JJADRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2sc3ccc(Br)cc3c2C)C1 ZINC001460433240 1067633896 /nfs/dbraw/zinc/63/38/96/1067633896.db2.gz ZITUHIPZTBOCFK-QFIPXVFZSA-N 0 0 458.377 4.929 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccn3C)n2CCOc2cccc(C(F)(F)F)n2)CCS1 ZINC001546116256 1067633957 /nfs/dbraw/zinc/63/39/57/1067633957.db2.gz NLRYZQFJHDAHHS-UHFFFAOYSA-N 0 0 494.587 4.888 20 0 JJADRN NC(=O)CSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC001460433157 1067633985 /nfs/dbraw/zinc/63/39/85/1067633985.db2.gz QICSDBOJOZPZKD-UHFFFAOYSA-N 0 0 450.951 4.568 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)C2 ZINC001460435621 1067634347 /nfs/dbraw/zinc/63/43/47/1067634347.db2.gz ILSIURNLDQJEPA-JTHBVZDNSA-N 0 0 457.014 4.659 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001460434370 1067634409 /nfs/dbraw/zinc/63/44/09/1067634409.db2.gz DBRGPCWAKYRYLD-LJQANCHMSA-N 0 0 450.760 4.966 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCc2sc(Br)cc2C1 ZINC001460438734 1067635350 /nfs/dbraw/zinc/63/53/50/1067635350.db2.gz FTRCMOWQRFYMIX-AWEZNQCLSA-N 0 0 456.203 4.585 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001460443874 1067635724 /nfs/dbraw/zinc/63/57/24/1067635724.db2.gz KEEOYONNDOPDAB-OMKLEDIQSA-N 0 0 459.999 4.732 20 0 JJADRN COc1c(C(=O)N2CCCC[C@@H]2Cc2ccccc2Br)cnn1-c1ccccc1 ZINC001460445093 1067636165 /nfs/dbraw/zinc/63/61/65/1067636165.db2.gz DESMSYQPGJMBJZ-LJQANCHMSA-N 0 0 454.368 4.881 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)Cn3nc4n(c3=O)CCCCC4)n2)cc1 ZINC001460446119 1067636302 /nfs/dbraw/zinc/63/63/02/1067636302.db2.gz JSSPTKCWJYJDCQ-UHFFFAOYSA-N 0 0 453.612 4.656 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC001460449878 1067636530 /nfs/dbraw/zinc/63/65/30/1067636530.db2.gz JCFMPSGYZHMYEJ-HOTGVXAUSA-N 0 0 456.534 4.730 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001460448630 1067636693 /nfs/dbraw/zinc/63/66/93/1067636693.db2.gz SUFVBJPETQZHIR-UHFFFAOYSA-N 0 0 451.264 4.959 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465866 1067638985 /nfs/dbraw/zinc/63/89/85/1067638985.db2.gz YROZWKIMUOQNHM-JOCHJYFZSA-N 0 0 457.018 4.702 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)NC1(Cc2ccccc2Br)CC1 ZINC001460470208 1067639927 /nfs/dbraw/zinc/63/99/27/1067639927.db2.gz HFZUKCBUILIDEH-CYBMUJFWSA-N 0 0 453.174 4.870 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1CCC(=O)Nc1cccc(Br)c1 ZINC001460474510 1067640459 /nfs/dbraw/zinc/64/04/59/1067640459.db2.gz CPBJWHVLTOBMAQ-NRFANRHFSA-N 0 0 459.384 4.719 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001460475639 1067640889 /nfs/dbraw/zinc/64/08/89/1067640889.db2.gz CENUHDRDRFEIRW-UHFFFAOYSA-N 0 0 451.364 4.797 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001460475598 1067640932 /nfs/dbraw/zinc/64/09/32/1067640932.db2.gz BOJJTXMFPOKMIZ-UHFFFAOYSA-N 0 0 457.393 4.755 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001460476445 1067641327 /nfs/dbraw/zinc/64/13/27/1067641327.db2.gz AQWXDXWTUFKIFU-OAHLLOKOSA-N 0 0 451.792 4.997 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001460476437 1067641333 /nfs/dbraw/zinc/64/13/33/1067641333.db2.gz AQWXDXWTUFKIFU-HNNXBMFYSA-N 0 0 451.792 4.997 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCCc3ccc(Br)s3)nc21 ZINC001460481506 1067642852 /nfs/dbraw/zinc/64/28/52/1067642852.db2.gz HFQQJNZGYYKLFB-LBPRGKRZSA-N 0 0 457.415 4.912 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1Cc1nc2ncc(Br)cn2n1 ZINC001460482838 1067643283 /nfs/dbraw/zinc/64/32/83/1067643283.db2.gz HWTFUAQNPQQADT-SFHVURJKSA-N 0 0 454.294 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)ccc21 ZINC001460485853 1067643552 /nfs/dbraw/zinc/64/35/52/1067643552.db2.gz JQYDYIAHGLTLGD-GOSISDBHSA-N 0 0 453.558 4.770 20 0 JJADRN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC001460487839 1067644076 /nfs/dbraw/zinc/64/40/76/1067644076.db2.gz QRAWIUQEWDPXPD-CYBMUJFWSA-N 0 0 457.550 4.561 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)o2)cc1 ZINC001460487459 1067644092 /nfs/dbraw/zinc/64/40/92/1067644092.db2.gz VGCOKIKNWCBCJO-HXUWFJFHSA-N 0 0 456.587 4.937 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(Br)c(SC)c3)nc21 ZINC001460486704 1067644158 /nfs/dbraw/zinc/64/41/58/1067644158.db2.gz TXHUHQFSOYAQNR-LLVKDONJSA-N 0 0 455.399 4.863 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(Oc4cccc(OC)c4)cn3)nc21 ZINC001460486338 1067644196 /nfs/dbraw/zinc/64/41/96/1067644196.db2.gz RPGPXQIUXCKBLM-QGZVFWFLSA-N 0 0 453.520 4.574 20 0 JJADRN O=C(NCCOc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1I ZINC001460492396 1067645300 /nfs/dbraw/zinc/64/53/00/1067645300.db2.gz MQDNIAMHFYKEJL-UHFFFAOYSA-N 0 0 454.066 4.546 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCCOc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC001460497864 1067645306 /nfs/dbraw/zinc/64/53/06/1067645306.db2.gz YPZLDAVKGLNISL-UHFFFAOYSA-N 0 0 457.162 4.513 20 0 JJADRN O[C@@H](COc1cc(F)cc(Br)c1)CN1CC[C@H]1c1ccc(Br)cc1 ZINC001460512283 1067646611 /nfs/dbraw/zinc/64/66/11/1067646611.db2.gz MZFMLHPRYLFTHF-AEFFLSMTSA-N 0 0 459.153 4.537 20 0 JJADRN Fc1ccc(COC2CCN(Cc3cc4c(cc3Br)OCCCO4)CC2)cc1 ZINC001460514659 1067647089 /nfs/dbraw/zinc/64/70/89/1067647089.db2.gz OAWNOTKIKSNJAH-UHFFFAOYSA-N 0 0 450.348 4.931 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(Cc1noc(-c3cccc(Cl)c3Cl)n1)C2 ZINC001460513701 1067647180 /nfs/dbraw/zinc/64/71/80/1067647180.db2.gz GFOPZOHILYENMU-LRTDBIEQSA-N 0 0 453.370 4.923 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516744 1067647536 /nfs/dbraw/zinc/64/75/36/1067647536.db2.gz LHRRDMZSPDAZHC-SIBVEZHUSA-N 0 0 451.567 4.797 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCSCc2ccnc(Cl)c2)c1 ZINC001546116841 1067648136 /nfs/dbraw/zinc/64/81/36/1067648136.db2.gz LCNJRYAESMFMJB-UHFFFAOYSA-N 0 0 454.423 4.714 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1 ZINC001460522623 1067648499 /nfs/dbraw/zinc/64/84/99/1067648499.db2.gz GFTZVZZHYVNEDV-VWLOTQADSA-N 0 0 451.592 4.904 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)n2)c1 ZINC001460521491 1067648547 /nfs/dbraw/zinc/64/85/47/1067648547.db2.gz HAJYBGUCULBOTL-UHFFFAOYSA-N 0 0 455.514 4.921 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)s1 ZINC001460525495 1067650193 /nfs/dbraw/zinc/65/01/93/1067650193.db2.gz JOZMHSRVXVSNFT-QGZVFWFLSA-N 0 0 457.983 4.937 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccc(N2CCCNC2=O)cc1 ZINC001460526273 1067650239 /nfs/dbraw/zinc/65/02/39/1067650239.db2.gz ORECINJZSWGQIM-CQSZACIVSA-N 0 0 458.440 4.771 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(CCC(=O)Nc1cccc3ccccc31)C2 ZINC001460528636 1067651173 /nfs/dbraw/zinc/65/11/73/1067651173.db2.gz ZODNXTGSFRBLCY-UHFFFAOYSA-N 0 0 459.365 4.795 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4cc(OC)cc(OC)c4)n3)CC2=O)cc1 ZINC001460527696 1067651263 /nfs/dbraw/zinc/65/12/63/1067651263.db2.gz ZDNSRLPFALXXGK-HXUWFJFHSA-N 0 0 459.546 4.710 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)NCCc1ccc(Br)cc1Cl ZINC001460535902 1067652769 /nfs/dbraw/zinc/65/27/69/1067652769.db2.gz UVWZNMHIZVKUSL-UHFFFAOYSA-N 0 0 459.771 4.978 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3sc(Cc4ccccc4)nc3C)c2)ccn1 ZINC001460538936 1067653162 /nfs/dbraw/zinc/65/31/62/1067653162.db2.gz AOJFLRPMXOHJEI-UHFFFAOYSA-N 0 0 458.543 4.842 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(CC(=O)NCCCC3CCCCC3)CC2)n1 ZINC001460541171 1067653777 /nfs/dbraw/zinc/65/37/77/1067653777.db2.gz IWPSIKCCPLYSDX-UHFFFAOYSA-N 0 0 450.627 4.808 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)n1 ZINC001460545902 1067654403 /nfs/dbraw/zinc/65/44/03/1067654403.db2.gz UUGCTGLYMZBFBF-GOSISDBHSA-N 0 0 458.562 4.561 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)N[C@H]1CCCc2c(F)cccc21 ZINC001460553034 1067655203 /nfs/dbraw/zinc/65/52/03/1067655203.db2.gz IDOWTNLYBUPOFL-IBGZPJMESA-N 0 0 453.295 4.783 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cc(F)cnc2Cl)c1 ZINC001460553511 1067655328 /nfs/dbraw/zinc/65/53/28/1067655328.db2.gz BYEFWVBFGJVIHB-UHFFFAOYSA-N 0 0 450.901 4.725 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2Cc3cccc(C)c3CC2(C)C)c1 ZINC001460559785 1067655814 /nfs/dbraw/zinc/65/58/14/1067655814.db2.gz ZOUPEYLKEDDGCH-HSZRJFAPSA-N 0 0 452.595 4.803 20 0 JJADRN C[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)[C@@H]1CO ZINC001460557163 1067655960 /nfs/dbraw/zinc/65/59/60/1067655960.db2.gz DYOANUYLIJJEKZ-CJFMBICVSA-N 0 0 460.622 4.868 20 0 JJADRN O=C1CN(Cc2nc3cc(C(F)(F)F)ccc3o2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001460563303 1067656391 /nfs/dbraw/zinc/65/63/91/1067656391.db2.gz GTMFHIHVUGSDDK-UHFFFAOYSA-N 0 0 457.374 4.710 20 0 JJADRN COCc1nc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)cs1 ZINC001460579561 1067660248 /nfs/dbraw/zinc/66/02/48/1067660248.db2.gz HCCRTGAQXBWALE-UHFFFAOYSA-N 0 0 455.609 4.890 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC001460578769 1067660279 /nfs/dbraw/zinc/66/02/79/1067660279.db2.gz CWUKBQXHMLDFPT-UHFFFAOYSA-N 0 0 456.427 4.924 20 0 JJADRN COCCOc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC001460579891 1067660535 /nfs/dbraw/zinc/66/05/35/1067660535.db2.gz HXALBANPWMRMNT-SFHVURJKSA-N 0 0 450.510 4.903 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2c(F)ccnc2F)cc1OC ZINC001460583254 1067661796 /nfs/dbraw/zinc/66/17/96/1067661796.db2.gz DNIRQCCXSPEFBS-UHFFFAOYSA-N 0 0 450.445 4.541 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)CN3CCc4cc(C(F)(F)F)ccc4C3)CC2)cc1 ZINC001460583117 1067661846 /nfs/dbraw/zinc/66/18/46/1067661846.db2.gz SZNWZXBTRJZQRE-UHFFFAOYSA-N 0 0 459.556 4.531 20 0 JJADRN CSc1nc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c2ccccn21 ZINC001460585031 1067662709 /nfs/dbraw/zinc/66/27/09/1067662709.db2.gz UDZXFLODLRMMCH-UHFFFAOYSA-N 0 0 454.914 4.921 20 0 JJADRN Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(C(=O)NCC(F)(F)F)cc1F ZINC001460584997 1067662804 /nfs/dbraw/zinc/66/28/04/1067662804.db2.gz CDKKBKFLDZOFBX-UHFFFAOYSA-N 0 0 455.408 4.941 20 0 JJADRN Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)c(C(=O)NCC(F)(F)F)cc1F ZINC001460588190 1067663124 /nfs/dbraw/zinc/66/31/24/1067663124.db2.gz LBACTDNPESPHMA-UHFFFAOYSA-N 0 0 453.219 4.751 20 0 JJADRN CCC(CC)(C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC001460590172 1067664180 /nfs/dbraw/zinc/66/41/80/1067664180.db2.gz RRIGTOUDGDADRD-ZDUSSCGKSA-N 0 0 453.332 4.968 20 0 JJADRN O=C(NC[C@@H]1CCCSC1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001460592840 1067664481 /nfs/dbraw/zinc/66/44/81/1067664481.db2.gz CMDBWWOKGDPHBK-ZDUSSCGKSA-N 0 0 452.527 4.888 20 0 JJADRN Cn1ncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1I ZINC001460592730 1067664509 /nfs/dbraw/zinc/66/45/09/1067664509.db2.gz RDRFVEVTDAZKGH-UHFFFAOYSA-N 0 0 453.667 4.723 20 0 JJADRN COc1cnc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001460591461 1067664527 /nfs/dbraw/zinc/66/45/27/1067664527.db2.gz AGNDZUAFJSZYOY-UHFFFAOYSA-N 0 0 450.333 4.771 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596415 1067664941 /nfs/dbraw/zinc/66/49/41/1067664941.db2.gz NQGXUYQRBAUAHC-GBXCKJPGSA-N 0 0 454.611 4.941 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596435 1067665065 /nfs/dbraw/zinc/66/50/65/1067665065.db2.gz NQGXUYQRBAUAHC-RDPSFJRHSA-N 0 0 454.611 4.941 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001460598100 1067665966 /nfs/dbraw/zinc/66/59/66/1067665966.db2.gz QRPISCYCLJHUPR-ROUUACIJSA-N 0 0 455.769 4.516 20 0 JJADRN COC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001460598488 1067666028 /nfs/dbraw/zinc/66/60/28/1067666028.db2.gz VBPNYDBIGCSTPL-SFTDATJTSA-N 0 0 450.362 4.894 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3C)s2)cc1 ZINC001460599648 1067666361 /nfs/dbraw/zinc/66/63/61/1067666361.db2.gz OVVNUIPLNDABSR-HNNXBMFYSA-N 0 0 454.548 4.826 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001460599211 1067666500 /nfs/dbraw/zinc/66/65/00/1067666500.db2.gz VBFGZRIYBOWXFG-XFAGBWLFSA-N 0 0 457.014 4.549 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC001460602216 1067667383 /nfs/dbraw/zinc/66/73/83/1067667383.db2.gz BPDCESPLZMEBRZ-ZDUSSCGKSA-N 0 0 452.370 4.752 20 0 JJADRN O=C(CN1CC[C@H](c2ccccc2)c2ccccc21)Nc1ccccc1S(=O)(=O)C(F)F ZINC001460603142 1067668173 /nfs/dbraw/zinc/66/81/73/1067668173.db2.gz ASIOWCFHSKKJSS-GOSISDBHSA-N 0 0 456.514 4.664 20 0 JJADRN COc1ccc(C(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c2ccc(OC)cc2)cc1 ZINC001460605756 1067669119 /nfs/dbraw/zinc/66/91/19/1067669119.db2.gz JJAJNZQOXLYTFL-QHCPKHFHSA-N 0 0 454.929 4.981 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001460606499 1067669160 /nfs/dbraw/zinc/66/91/60/1067669160.db2.gz BFDATIBOSUKAFT-LAUBAEHRSA-N 0 0 456.562 4.710 20 0 JJADRN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC001460605322 1067669182 /nfs/dbraw/zinc/66/91/82/1067669182.db2.gz GBOAAYJJODWYDW-LJQANCHMSA-N 0 0 459.505 4.782 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)OC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001460605819 1067669201 /nfs/dbraw/zinc/66/92/01/1067669201.db2.gz ZMRBPCDVPZETKS-JPYJTQIMSA-N 0 0 459.970 4.907 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC001460606504 1067669252 /nfs/dbraw/zinc/66/92/52/1067669252.db2.gz BFDATIBOSUKAFT-UTKZUKDTSA-N 0 0 456.562 4.710 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC001460606507 1067669258 /nfs/dbraw/zinc/66/92/58/1067669258.db2.gz BFDATIBOSUKAFT-UWJYYQICSA-N 0 0 456.562 4.710 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)OC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001460605824 1067669267 /nfs/dbraw/zinc/66/92/67/1067669267.db2.gz ZMRBPCDVPZETKS-MBSDFSHPSA-N 0 0 459.970 4.907 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001460607751 1067670144 /nfs/dbraw/zinc/67/01/44/1067670144.db2.gz NYMMUWTUUMRYGQ-QZTJIDSGSA-N 0 0 459.512 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC001460607844 1067670148 /nfs/dbraw/zinc/67/01/48/1067670148.db2.gz PNXVXTASOZSVGE-KSZLIROESA-N 0 0 454.489 4.595 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC001460609168 1067670733 /nfs/dbraw/zinc/67/07/33/1067670733.db2.gz ODAWOWBKWBTSKJ-OTWHNJEPSA-N 0 0 458.521 4.896 20 0 JJADRN COc1ccc(C(=O)C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc1Cl ZINC001460609043 1067670750 /nfs/dbraw/zinc/67/07/50/1067670750.db2.gz RQPKCOUFVKDPOM-KBPBESRZSA-N 0 0 454.876 4.676 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cncc(C(F)(F)F)c3)c2)c1 ZINC001460611890 1067671938 /nfs/dbraw/zinc/67/19/38/1067671938.db2.gz HBQYPNWFMFNSIA-UHFFFAOYSA-N 0 0 457.408 4.782 20 0 JJADRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460615011 1067673587 /nfs/dbraw/zinc/67/35/87/1067673587.db2.gz TVLDPBYELPXXCM-XYPHTWIQSA-N 0 0 452.477 4.900 20 0 JJADRN O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001460616790 1067674103 /nfs/dbraw/zinc/67/41/03/1067674103.db2.gz KFVPLHANNMVVJN-UHFFFAOYSA-N 0 0 455.866 4.803 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC001460616861 1067674186 /nfs/dbraw/zinc/67/41/86/1067674186.db2.gz NDVOKZHTFIEUTB-IBGZPJMESA-N 0 0 454.640 4.532 20 0 JJADRN COC(=O)[C@@]1(C)CN(Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1C ZINC001460619108 1067674586 /nfs/dbraw/zinc/67/45/86/1067674586.db2.gz BYZNEERDLQFBEW-YUNKPMOVSA-N 0 0 456.395 4.766 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001460619688 1067674613 /nfs/dbraw/zinc/67/46/13/1067674613.db2.gz QMNLILZOWSCYIB-USCONSEESA-N 0 0 477.026 4.665 20 0 JJADRN CCOCCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCc2ccccc21 ZINC001460618893 1067674632 /nfs/dbraw/zinc/67/46/32/1067674632.db2.gz QGUJFZHKEMZFOG-LJQANCHMSA-N 0 0 453.327 4.692 20 0 JJADRN Cc1c(F)cccc1N(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCO[C@H]1C ZINC001460622680 1067675714 /nfs/dbraw/zinc/67/57/14/1067675714.db2.gz VLVCDWIWNARUTK-VWKPWSFCSA-N 0 0 454.464 4.894 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001460621794 1067675794 /nfs/dbraw/zinc/67/57/94/1067675794.db2.gz WDCZHFINXNJBHU-SPLOXXLWSA-N 0 0 477.895 4.895 20 0 JJADRN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCc2c(F)ccc(Br)c2C1 ZINC001460624717 1067676340 /nfs/dbraw/zinc/67/63/40/1067676340.db2.gz RNLIVPAKFFSOHJ-UHFFFAOYSA-N 0 0 451.723 4.567 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001460626086 1067676762 /nfs/dbraw/zinc/67/67/62/1067676762.db2.gz NONOKHUYSDKBHO-MNOVXSKESA-N 0 0 450.479 4.528 20 0 JJADRN COc1cccc(CC2CCN(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)CC2)c1 ZINC001460626037 1067676814 /nfs/dbraw/zinc/67/68/14/1067676814.db2.gz JRPIGULPTQPUQE-UHFFFAOYSA-N 0 0 457.546 4.990 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001460627441 1067677366 /nfs/dbraw/zinc/67/73/66/1067677366.db2.gz ZGJUDXYJXNNHOL-LBPRGKRZSA-N 0 0 450.479 4.528 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001546117826 1067677837 /nfs/dbraw/zinc/67/78/37/1067677837.db2.gz QCBHXOYVGUFHTC-NQIIRXRSSA-N 0 0 493.668 4.865 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1ccn(-c2ccccc2Cl)n1 ZINC001460630763 1067678448 /nfs/dbraw/zinc/67/84/48/1067678448.db2.gz OUNVECDTERXKEC-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)C(C)(C)c3ccc4c(c3)OCO4)cccc21 ZINC001460633718 1067679642 /nfs/dbraw/zinc/67/96/42/1067679642.db2.gz DFEHSMOOJANQRO-UHFFFAOYSA-N 0 0 452.551 4.697 20 0 JJADRN C[C@@]1(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCCc2sccc21 ZINC001460635451 1067680115 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4.710 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)cc2F)n1 ZINC001460642986 1067683069 /nfs/dbraw/zinc/68/30/69/1067683069.db2.gz KOLAQJDMUUIBSV-UHFFFAOYSA-N 0 0 457.505 4.915 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC001460643024 1067683130 /nfs/dbraw/zinc/68/31/30/1067683130.db2.gz FOELASIDHOIYJG-FQEVSTJZSA-N 0 0 458.525 4.930 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)ccc1OCC(=O)OC ZINC001460642084 1067683168 /nfs/dbraw/zinc/68/31/68/1067683168.db2.gz MMHQIFHISOLPMR-OAQYLSRUSA-N 0 0 452.334 4.825 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)sc1Br ZINC001460645577 1067683999 /nfs/dbraw/zinc/68/39/99/1067683999.db2.gz JNJZPFPJLCSHRY-AWEZNQCLSA-N 0 0 459.406 4.573 20 0 JJADRN O=C(CN1CCN(Cc2ccc(O)c(Cl)c2)CC1)Nc1ccccc1Oc1ccccc1 ZINC001460645030 1067684089 /nfs/dbraw/zinc/68/40/89/1067684089.db2.gz MZAUGMRTLKZCLF-UHFFFAOYSA-N 0 0 451.954 4.594 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC3CCCCC3)cc2F)n1 ZINC001460644419 1067684153 /nfs/dbraw/zinc/68/41/53/1067684153.db2.gz IQVWVVCVHOZHFM-NRFANRHFSA-N 0 0 456.562 4.682 20 0 JJADRN C[C@H](OC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460646670 1067684704 /nfs/dbraw/zinc/68/47/04/1067684704.db2.gz ZAQYLVAKVUUXDK-HNNXBMFYSA-N 0 0 459.593 4.606 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CC(C)(C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC001460648031 1067685678 /nfs/dbraw/zinc/68/56/78/1067685678.db2.gz FAZAQFYXUYSKQG-QFIPXVFZSA-N 0 0 457.640 4.685 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001460652276 1067687958 /nfs/dbraw/zinc/68/79/58/1067687958.db2.gz OWTYTURAHKNSQH-LSDHHAIUSA-N 0 0 453.892 4.648 20 0 JJADRN COCC[C@H](COC)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 ZINC001460653920 1067688386 /nfs/dbraw/zinc/68/83/86/1067688386.db2.gz REOIBSXREOLFIK-CYBMUJFWSA-N 0 0 456.395 4.543 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC(C)C)CCS1 ZINC001546117974 1067688852 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RHMXANWITVLRIN-HOYKHHGWSA-N 0 0 451.517 4.898 20 0 JJADRN CO[C@@H](C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC001460663969 1067693011 /nfs/dbraw/zinc/69/30/11/1067693011.db2.gz GNWJCBBJTWYASY-MGPUTAFESA-N 0 0 451.311 4.821 20 0 JJADRN COCc1ccc(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)cc1F ZINC001460664476 1067693019 /nfs/dbraw/zinc/69/30/19/1067693019.db2.gz IYQAFIGYEGBUAA-OAHLLOKOSA-N 0 0 451.311 4.893 20 0 JJADRN CO[C@H](C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC001460663975 1067693067 /nfs/dbraw/zinc/69/30/67/1067693067.db2.gz GNWJCBBJTWYASY-YWZLYKJASA-N 0 0 451.311 4.821 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460666276 1067693611 /nfs/dbraw/zinc/69/36/11/1067693611.db2.gz HVFCOGQMTQLUJP-RNODOKPDSA-N 0 0 454.439 4.599 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670262 1067694586 /nfs/dbraw/zinc/69/45/86/1067694586.db2.gz LSNZAUSTCJDOSZ-ICSRJNTNSA-N 0 0 455.624 4.755 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)s1 ZINC001460671075 1067694959 /nfs/dbraw/zinc/69/49/59/1067694959.db2.gz LXLYKKVUAIGABR-OAHLLOKOSA-N 0 0 452.523 4.750 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460672778 1067695602 /nfs/dbraw/zinc/69/56/02/1067695602.db2.gz GSXRLVTWTYXEED-UHFFFAOYSA-N 0 0 458.139 4.979 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccncc3OCCC(C)(C)C)C2)c1 ZINC001460674275 1067695971 /nfs/dbraw/zinc/69/59/71/1067695971.db2.gz MQLAXAYHQUQLOS-JOCHJYFZSA-N 0 0 451.611 4.682 20 0 JJADRN CC[C@]1(CNC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460676990 1067697718 /nfs/dbraw/zinc/69/77/18/1067697718.db2.gz VYDKGJLUIGLZRR-NFBNSWHESA-N 0 0 456.627 4.797 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1nc2cc(Cl)ccn2n1 ZINC001460677438 1067698080 /nfs/dbraw/zinc/69/80/80/1067698080.db2.gz ZINKAAJNRCJQAZ-UHFFFAOYSA-N 0 0 454.762 4.511 20 0 JJADRN Cc1cc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)nn1-c1ccc(F)cc1F ZINC001460678283 1067698133 /nfs/dbraw/zinc/69/81/33/1067698133.db2.gz HYZZEDNMOHMFJO-YADARESESA-N 0 0 460.525 4.967 20 0 JJADRN C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(N(C)C)cn1 ZINC001460678822 1067698715 /nfs/dbraw/zinc/69/87/15/1067698715.db2.gz VSEHXZLBXPWZCA-UZUQRXQVSA-N 0 0 451.954 4.967 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC3CCCC3)nc2)c1 ZINC001460682510 1067700253 /nfs/dbraw/zinc/70/02/53/1067700253.db2.gz NUJZYIDJPFOXSA-IBGZPJMESA-N 0 0 453.539 4.546 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC001460683183 1067700697 /nfs/dbraw/zinc/70/06/97/1067700697.db2.gz MOXYEHTXEUEERJ-CRAIPNDOSA-N 0 0 456.029 4.508 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC001460684220 1067701003 /nfs/dbraw/zinc/70/10/03/1067701003.db2.gz YUILTILVMOZPSH-QGZVFWFLSA-N 0 0 451.951 4.572 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460684476 1067701055 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CCOc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 ZINC001460711274 1067706701 /nfs/dbraw/zinc/70/67/01/1067706701.db2.gz UGWKXSUYKFPEKG-JOCHJYFZSA-N 0 0 456.583 4.767 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N(Cc2cnn(C)c2)CC(C)C)cc1 ZINC001460714351 1067707270 /nfs/dbraw/zinc/70/72/70/1067707270.db2.gz CQXDLELBUYVMBS-UHFFFAOYSA-N 0 0 450.608 4.758 20 0 JJADRN CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001460714698 1067707673 /nfs/dbraw/zinc/70/76/73/1067707673.db2.gz HWKOCXDFACDWMQ-UHFFFAOYSA-N 0 0 453.431 4.595 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001546118424 1067709430 /nfs/dbraw/zinc/70/94/30/1067709430.db2.gz DZBJBORLBABNNN-CYBMUJFWSA-N 0 0 454.286 4.816 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001460724006 1067709753 /nfs/dbraw/zinc/70/97/53/1067709753.db2.gz JSPIEOYTYXCYPD-YUCBDZPESA-N 0 0 459.011 4.832 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001460723741 1067709768 /nfs/dbraw/zinc/70/97/68/1067709768.db2.gz FAIGIIKPWIKNNX-INIZCTEOSA-N 0 0 459.974 4.806 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@H]2CCN(c3c(F)cccc3F)C2=O)c2ccccc21 ZINC001460725795 1067710276 /nfs/dbraw/zinc/71/02/76/1067710276.db2.gz JHULLVWXCMAVJZ-IERDGZPVSA-N 0 0 457.521 4.589 20 0 JJADRN Cc1ccc(CN(C(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)C2CC2)o1 ZINC001460725724 1067710322 /nfs/dbraw/zinc/71/03/22/1067710322.db2.gz IDVMFZAFCQFBDN-LJQANCHMSA-N 0 0 453.583 4.598 20 0 JJADRN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729402 1067711282 /nfs/dbraw/zinc/71/12/82/1067711282.db2.gz WWPDHNNUAODBKS-VLIAUNLRSA-N 0 0 459.812 4.703 20 0 JJADRN Cc1cc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)ccc1Br ZINC001460734857 1067712136 /nfs/dbraw/zinc/71/21/36/1067712136.db2.gz WZEGMRCJUJVUGW-KRWDZBQOSA-N 0 0 451.405 4.801 20 0 JJADRN CCn1ncc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1-c1ccccc1 ZINC001460740417 1067712880 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473.712 4.693 20 0 JJADRN CC(C)n1c2ccc(C(=O)N(C)C3CCN(CC(F)(F)F)CC3)cc2nc1C(F)(F)F ZINC001460888270 1067743480 /nfs/dbraw/zinc/74/34/80/1067743480.db2.gz SUSUBHUIYJTYFM-UHFFFAOYSA-N 0 0 450.427 4.735 20 0 JJADRN COc1ccc(Br)cc1CN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889170 1067743867 /nfs/dbraw/zinc/74/38/67/1067743867.db2.gz MZLPQPFVPCDFMW-IBGZPJMESA-N 0 0 455.190 4.704 20 0 JJADRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460889086 1067743934 /nfs/dbraw/zinc/74/39/34/1067743934.db2.gz KDNWVYRBMDISRF-VFNWGFHPSA-N 0 0 451.792 4.722 20 0 JJADRN Cc1cc(C)c(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cn1 ZINC001460891706 1067744271 /nfs/dbraw/zinc/74/42/71/1067744271.db2.gz UUGQVDGKHYPIQB-UHFFFAOYSA-N 0 0 454.313 4.736 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)C1(Sc2ccccc2)CC1 ZINC001460891464 1067744336 /nfs/dbraw/zinc/74/43/36/1067744336.db2.gz LGOSSYXQPBMHHG-UHFFFAOYSA-N 0 0 451.361 4.688 20 0 JJADRN O=C(CN1CCC[C@](O)(c2ccc(Br)cc2)C1)Nc1cccc(Cl)c1Cl 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INQIDBHNLSEEPS-MRXNPFEDSA-N 0 0 457.434 4.836 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001460895806 1067745216 /nfs/dbraw/zinc/74/52/16/1067745216.db2.gz KMTPTCSAAYLHSN-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)c1ccc(N2CCCCCC2)nc1 ZINC001460898311 1067745417 /nfs/dbraw/zinc/74/54/17/1067745417.db2.gz QIRQEUOUYRMWDQ-UHFFFAOYSA-N 0 0 457.262 4.597 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1c(F)cc(I)cc1F ZINC001460899905 1067745586 /nfs/dbraw/zinc/74/55/86/1067745586.db2.gz VYPRDYDZHTUMMA-FFSVYQOJSA-N 0 0 451.295 4.985 20 0 JJADRN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001460906081 1067745851 /nfs/dbraw/zinc/74/58/51/1067745851.db2.gz LEVWKVVOOFGMGO-JSGCOSHPSA-N 0 0 457.294 4.605 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001460901897 1067745884 /nfs/dbraw/zinc/74/58/84/1067745884.db2.gz ITOSYQMYWJRCHT-PKOBYXMFSA-N 0 0 456.999 4.782 20 0 JJADRN Clc1ccc(CN2CCOc3c(Cl)cc(Br)cc3C2)c(-n2cncn2)c1 ZINC001460909420 1067746255 /nfs/dbraw/zinc/74/62/55/1067746255.db2.gz IVFGDNJTNGFQGY-UHFFFAOYSA-N 0 0 454.155 4.731 20 0 JJADRN COc1ccc(CN(CCCO)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907031 1067746264 /nfs/dbraw/zinc/74/62/64/1067746264.db2.gz BXIBTVNYHQNGAM-JOCHJYFZSA-N 0 0 451.394 4.550 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001460911683 1067746942 /nfs/dbraw/zinc/74/69/42/1067746942.db2.gz SRKCPJRMGPDIKI-CYBMUJFWSA-N 0 0 453.764 4.641 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H](C)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001460911688 1067747103 /nfs/dbraw/zinc/74/71/03/1067747103.db2.gz SRKCPJRMGPDIKI-ZDUSSCGKSA-N 0 0 453.764 4.641 20 0 JJADRN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1sc(N2CCCC2)nc1Cl ZINC001460912439 1067747113 /nfs/dbraw/zinc/74/71/13/1067747113.db2.gz BONDCZINOOJANV-UHFFFAOYSA-N 0 0 456.380 4.733 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cs1 ZINC001460914503 1067747324 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XZTGNIJEQSMBOT-UHFFFAOYSA-N 0 0 454.733 4.794 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460930339 1067749992 /nfs/dbraw/zinc/74/99/92/1067749992.db2.gz HXOBSXPHYHCAMB-XMSQKQJNSA-N 0 0 475.536 4.882 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001460940604 1067751109 /nfs/dbraw/zinc/75/11/09/1067751109.db2.gz WXCRKGHCCYJCSK-UXHICEINSA-N 0 0 451.007 4.912 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c2ccco2)cc1 ZINC001460948350 1067752344 /nfs/dbraw/zinc/75/23/44/1067752344.db2.gz PFKGYENZQKUEJI-QFIPXVFZSA-N 0 0 458.436 4.953 20 0 JJADRN Cc1ccc2c(c1C)N(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)CCC2 ZINC001460949237 1067752397 /nfs/dbraw/zinc/75/23/97/1067752397.db2.gz TWSUZTBBRUHYHV-UHFFFAOYSA-N 0 0 450.398 4.599 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1 ZINC001460953486 1067753116 /nfs/dbraw/zinc/75/31/16/1067753116.db2.gz CQJUQGLPEFVWLL-UHFFFAOYSA-N 0 0 455.381 4.850 20 0 JJADRN CCOC(=O)Cc1cnc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)s1 ZINC001460960955 1067753459 /nfs/dbraw/zinc/75/34/59/1067753459.db2.gz RPIVWSOBKZYXSM-UHFFFAOYSA-N 0 0 451.367 4.992 20 0 JJADRN C[C@@](Cc1ccccc1)(NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C1CC1 ZINC001460957201 1067753516 /nfs/dbraw/zinc/75/35/16/1067753516.db2.gz INCCQZIALKXHHU-SIBVEZHUSA-N 0 0 456.533 4.668 20 0 JJADRN C[C@@H]1C[C@@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)[C@@H](C)O1 ZINC001460963568 1067753894 /nfs/dbraw/zinc/75/38/94/1067753894.db2.gz RUKHMDKPFDGDAE-UTUOFQBUSA-N 0 0 451.823 4.723 20 0 JJADRN O=C(CN1CCC(OCc2ccc(Br)cc2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC001460976281 1067755594 /nfs/dbraw/zinc/75/55/94/1067755594.db2.gz ROEAWCSCPQEAJB-DEOSSOPVSA-N 0 0 457.412 4.698 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(CCSc1ccc(Cl)cc1)CCO2 ZINC001460980952 1067756365 /nfs/dbraw/zinc/75/63/65/1067756365.db2.gz ONSIRNGVGLZUOQ-UHFFFAOYSA-N 0 0 456.789 4.876 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H](CC(C)C)OC)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460986042 1067757615 /nfs/dbraw/zinc/75/76/15/1067757615.db2.gz KZCGTDVEUHUICH-DGWZTRNLSA-N 0 0 452.595 4.665 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H](CC(C)C)OC)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460986059 1067757632 /nfs/dbraw/zinc/75/76/32/1067757632.db2.gz KZCGTDVEUHUICH-RMTZWNOUSA-N 0 0 452.595 4.665 20 0 JJADRN COc1cc(I)c(C(=O)N(C(C)C)[C@H](C)c2ccsc2)cc1OC ZINC001460986399 1067757683 /nfs/dbraw/zinc/75/76/83/1067757683.db2.gz FUHWCJKUWHCOKW-GFCCVEGCSA-N 0 0 459.349 4.982 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC001460989999 1067758420 /nfs/dbraw/zinc/75/84/20/1067758420.db2.gz YFVUGPICTMOUIK-GBXCKJPGSA-N 0 0 454.636 4.966 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1nn(CC(F)(F)F)cc1Br ZINC001460991196 1067758878 /nfs/dbraw/zinc/75/88/78/1067758878.db2.gz NKTPNSAQEAEBJR-UHFFFAOYSA-N 0 0 454.246 4.892 20 0 JJADRN Cc1cc(C)c(COC(=O)c2cc(N3CCOC3=O)ccc2F)c(OCc2ccccc2)n1 ZINC001460995470 1067759849 /nfs/dbraw/zinc/75/98/49/1067759849.db2.gz KFHLUWZCSKZUAQ-UHFFFAOYSA-N 0 0 450.466 4.730 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)[C@H](C)c2c(Cl)cccc2Cl)N2CCCCC2)n1 ZINC001460998790 1067760283 /nfs/dbraw/zinc/76/02/83/1067760283.db2.gz AKOHDWOBPVZQCD-CYBMUJFWSA-N 0 0 456.395 4.703 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)c1C ZINC001461003596 1067760948 /nfs/dbraw/zinc/76/09/48/1067760948.db2.gz MAGIMODIGCEOMY-UHFFFAOYSA-N 0 0 459.262 4.874 20 0 JJADRN O=C(N[C@@H]1COCc2ccccc21)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001461003590 1067761016 /nfs/dbraw/zinc/76/10/16/1067761016.db2.gz LUIPAZYCZINUSX-OAHLLOKOSA-N 0 0 457.239 4.594 20 0 JJADRN COc1ccc(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)cc1I ZINC001461011727 1067761955 /nfs/dbraw/zinc/76/19/55/1067761955.db2.gz YLFVZKDCRPCVEQ-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@@H]1Cc1ccccc1Br)N1Cc2ccccc2C1=O ZINC001461018024 1067762885 /nfs/dbraw/zinc/76/28/85/1067762885.db2.gz XPEPPGBYFCWHSN-KNQAVFIVSA-N 0 0 455.396 4.663 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001461022404 1067763346 /nfs/dbraw/zinc/76/33/46/1067763346.db2.gz JURPXCRXOREMBC-PBHICJAKSA-N 0 0 450.760 4.869 20 0 JJADRN COc1cc(OC)cc([C@H](NCc2cccc(Br)c2Cl)c2nccn2C)c1 ZINC001461020918 1067763380 /nfs/dbraw/zinc/76/33/80/1067763380.db2.gz BXLPBHDRARYRIN-IBGZPJMESA-N 0 0 450.764 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[C@H]2CCCCO2)CCS1 ZINC001546120885 1067763405 /nfs/dbraw/zinc/76/34/05/1067763405.db2.gz CMBMZSYBTITVQD-LJQANCHMSA-N 0 0 491.727 4.731 20 0 JJADRN O=C(Nc1ncc(-c2cnccn2)s1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001461020990 1067763426 /nfs/dbraw/zinc/76/34/26/1067763426.db2.gz IEQDKTSQAGPEHR-UHFFFAOYSA-N 0 0 457.309 4.787 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001461022418 1067763428 /nfs/dbraw/zinc/76/34/28/1067763428.db2.gz JURPXCRXOREMBC-YOEHRIQHSA-N 0 0 450.760 4.869 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F ZINC001461024157 1067764002 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WQUZYWHSKHFUFL-GOEBONIOSA-N 0 0 454.596 4.588 20 0 JJADRN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001461032188 1067765875 /nfs/dbraw/zinc/76/58/75/1067765875.db2.gz ZAJFJUJDQCUYTR-YJBOKZPZSA-N 0 0 451.489 4.533 20 0 JJADRN COC(=O)[C@@H]1CCc2sc(NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)nc2C1 ZINC001461034611 1067766160 /nfs/dbraw/zinc/76/61/60/1067766160.db2.gz YLBJSHHEDBCIPA-FOIQADDNSA-N 0 0 456.951 4.833 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)nc2C1 ZINC001461034615 1067766175 /nfs/dbraw/zinc/76/61/75/1067766175.db2.gz YLBJSHHEDBCIPA-YWZLYKJASA-N 0 0 456.951 4.833 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461035365 1067766502 /nfs/dbraw/zinc/76/65/02/1067766502.db2.gz CSTLBYXGVWLUNI-YLJYHZDGSA-N 0 0 459.359 4.565 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001461037248 1067766878 /nfs/dbraw/zinc/76/68/78/1067766878.db2.gz BOOBQGAXCKNIGE-IBGZPJMESA-N 0 0 455.555 4.557 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C(N)=O)cc4OC(C)C)cc3)o2)c1 ZINC001461038158 1067767427 /nfs/dbraw/zinc/76/74/27/1067767427.db2.gz GTAKAQRASHTSPP-UHFFFAOYSA-N 0 0 456.502 4.850 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)CCc2cc(Br)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461044037 1067768598 /nfs/dbraw/zinc/76/85/98/1067768598.db2.gz VQYXKVWWACCWRC-KFWWJZLASA-N 0 0 459.450 4.841 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]3C)cs2)cc1 ZINC001461043442 1067768719 /nfs/dbraw/zinc/76/87/19/1067768719.db2.gz RXGJNOCYBLFSOT-RYRKJORJSA-N 0 0 459.612 4.830 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461047801 1067769150 /nfs/dbraw/zinc/76/91/50/1067769150.db2.gz AXNKUOVUHFENPG-YRUKQIKQSA-N 0 0 465.496 4.814 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461049529 1067769161 /nfs/dbraw/zinc/76/91/61/1067769161.db2.gz FRGARXZMZWCYTI-FCJDFRRUSA-N 0 0 470.407 4.823 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3c(Cl)n2)C[C@H]1c1ccc(Br)cc1 ZINC001461052062 1067770396 /nfs/dbraw/zinc/77/03/96/1067770396.db2.gz OSAWYQVGLKQPEK-ZWKOTPCHSA-N 0 0 473.754 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC001461055382 1067770568 /nfs/dbraw/zinc/77/05/68/1067770568.db2.gz CGNJOJDJQOFOBC-MRXNPFEDSA-N 0 0 452.885 4.951 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)C[C@H]1c1ccc(F)cc1F ZINC001461052812 1067770576 /nfs/dbraw/zinc/77/05/76/1067770576.db2.gz VEROUZICXGDKLS-GRGSLBFTSA-N 0 0 451.872 4.666 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)C[C@H]1c1ccc(F)cc1F ZINC001461052815 1067770667 /nfs/dbraw/zinc/77/06/67/1067770667.db2.gz VEROUZICXGDKLS-KLIQENQMSA-N 0 0 451.872 4.666 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001461052986 1067770779 /nfs/dbraw/zinc/77/07/79/1067770779.db2.gz YESHAFNUERVTBO-JDUNMQJISA-N 0 0 480.511 4.730 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCNC(=O)CCCc1ccccc1 ZINC001461057206 1067771780 /nfs/dbraw/zinc/77/17/80/1067771780.db2.gz QUCDMJCCKBXECZ-UHFFFAOYSA-N 0 0 459.468 4.538 20 0 JJADRN CO[C@@H](C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1ccc(Br)s1 ZINC001461058910 1067772041 /nfs/dbraw/zinc/77/20/41/1067772041.db2.gz PHIYNDSVTJWZLH-QGZVFWFLSA-N 0 0 455.443 4.940 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCCCC2)CCS1 ZINC001546121151 1067772478 /nfs/dbraw/zinc/77/24/78/1067772478.db2.gz MPXDVSKEVLNPOI-UHFFFAOYSA-N 0 0 462.635 4.803 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2CCc2ccccn2)CCS1 ZINC001546121158 1067772512 /nfs/dbraw/zinc/77/25/12/1067772512.db2.gz MRXWAZLWQRSPBT-UHFFFAOYSA-N 0 0 451.640 4.915 20 0 JJADRN Cc1c(F)cc(Cl)c2c1CCCN2C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC001461060956 1067772791 /nfs/dbraw/zinc/77/27/91/1067772791.db2.gz JGJFUIBDGZVKAM-UHFFFAOYSA-N 0 0 453.963 4.720 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)c2ccccc2c1=O ZINC001461061525 1067773155 /nfs/dbraw/zinc/77/31/55/1067773155.db2.gz XBTVBJXQBWDKFX-PGRDOPGGSA-N 0 0 455.599 4.559 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)c2ccccc2c1=O ZINC001461061521 1067773221 /nfs/dbraw/zinc/77/32/21/1067773221.db2.gz XBTVBJXQBWDKFX-AVRDEDQJSA-N 0 0 455.599 4.559 20 0 JJADRN COc1ccc(COCCCC(=O)Nc2ccc(Cl)c(I)c2)cc1 ZINC001461064035 1067773946 /nfs/dbraw/zinc/77/39/46/1067773946.db2.gz AYXRBRKBFQACDA-UHFFFAOYSA-N 0 0 459.711 4.889 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)Nc2cc(Br)ccc2OC(F)(F)F)n1 ZINC001461064813 1067774245 /nfs/dbraw/zinc/77/42/45/1067774245.db2.gz NTUJRCMWORAYEC-UHFFFAOYSA-N 0 0 450.255 4.990 20 0 JJADRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1ccc(Br)cc1C(F)(F)F ZINC001461066013 1067774603 /nfs/dbraw/zinc/77/46/03/1067774603.db2.gz XFAGOGQQECKNNW-SANMLTNESA-N 0 0 451.260 4.742 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCNC(=O)CCCc1ccccc1 ZINC001461065102 1067774646 /nfs/dbraw/zinc/77/46/46/1067774646.db2.gz PLBOYRUCSZODSI-UHFFFAOYSA-N 0 0 459.468 4.538 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CCS1 ZINC001546121283 1067774907 /nfs/dbraw/zinc/77/49/07/1067774907.db2.gz RMAVGPFLLJJDAQ-DFBJGRDBSA-N 0 0 474.671 4.529 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3ccc(Cl)c(I)c3)C2)c1 ZINC001461066450 1067774983 /nfs/dbraw/zinc/77/49/83/1067774983.db2.gz KWENVFSMLOILCX-QGZVFWFLSA-N 0 0 454.695 4.693 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461071132 1067775787 /nfs/dbraw/zinc/77/57/87/1067775787.db2.gz ODBXVXQUCDOWIJ-QGZVFWFLSA-N 0 0 453.564 4.737 20 0 JJADRN COc1cc(C)c(OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c(C)c1 ZINC001461069679 1067775794 /nfs/dbraw/zinc/77/57/94/1067775794.db2.gz DAJWDCDPOYSZFL-GOSISDBHSA-N 0 0 451.544 4.671 20 0 JJADRN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC001461071905 1067775976 /nfs/dbraw/zinc/77/59/76/1067775976.db2.gz NADJYHXFGZMBOV-LJQANCHMSA-N 0 0 456.514 4.720 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2CC2(COC)CCOCC2)CCS1 ZINC001546121411 1067776982 /nfs/dbraw/zinc/77/69/82/1067776982.db2.gz WZVDCBDBGNAGAO-UHFFFAOYSA-N 0 0 488.698 4.721 20 0 JJADRN Cc1cc(NCc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001461076328 1067776990 /nfs/dbraw/zinc/77/69/90/1067776990.db2.gz ZFDJOGNKBUHQSQ-MRXNPFEDSA-N 0 0 450.381 4.533 20 0 JJADRN Cn1ccc(C(=O)NCc2cc(Cl)cc(I)c2)c1-c1ccccc1 ZINC001461076876 1067777066 /nfs/dbraw/zinc/77/70/66/1067777066.db2.gz UBJUOTDDYVIICW-UHFFFAOYSA-N 0 0 450.707 4.880 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)C[C@H]3c3ccccc3)CC2)cc1C ZINC001461080094 1067777754 /nfs/dbraw/zinc/77/77/54/1067777754.db2.gz NNUPORJGWBHICS-DEOSSOPVSA-N 0 0 454.636 4.704 20 0 JJADRN CCN(C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc(C(F)(F)F)c1 ZINC001461087174 1067779067 /nfs/dbraw/zinc/77/90/67/1067779067.db2.gz CEJTUXJHIUSPOT-NQIIRXRSSA-N 0 0 452.473 4.788 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461086978 1067779131 /nfs/dbraw/zinc/77/91/31/1067779131.db2.gz OXPOYFNBAQPYDQ-CQSZACIVSA-N 0 0 458.278 4.730 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461086976 1067779170 /nfs/dbraw/zinc/77/91/70/1067779170.db2.gz OXPOYFNBAQPYDQ-AWEZNQCLSA-N 0 0 458.278 4.730 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cn1)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461089627 1067779785 /nfs/dbraw/zinc/77/97/85/1067779785.db2.gz ZLOHAYGHSPFGPL-UHFFFAOYSA-N 0 0 451.246 4.542 20 0 JJADRN CC(C)Oc1cccc(CC(=O)N(CCc2ccccn2)c2ccc(Br)cn2)c1 ZINC001461089288 1067779805 /nfs/dbraw/zinc/77/98/05/1067779805.db2.gz XJABOCFUXWBSKR-UHFFFAOYSA-N 0 0 454.368 4.845 20 0 JJADRN Cc1ccc2c(c1)CC[C@@H](C(=O)N(CCc1ccccn1)c1ccc(Br)cn1)O2 ZINC001461089273 1067779829 /nfs/dbraw/zinc/77/98/29/1067779829.db2.gz XGVXCOXPNZKPIA-NRFANRHFSA-N 0 0 452.352 4.517 20 0 JJADRN COCCCN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(Br)cn1 ZINC001461089909 1067779948 /nfs/dbraw/zinc/77/99/48/1067779948.db2.gz YQKIKOZBDJKVQE-UHFFFAOYSA-N 0 0 455.352 4.960 20 0 JJADRN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ncc(Br)cc1Br ZINC001461091419 1067780122 /nfs/dbraw/zinc/78/01/22/1067780122.db2.gz BWKWFHVUKIVDGV-GOSISDBHSA-N 0 0 456.153 4.983 20 0 JJADRN C[C@@H](NCc1cn(-c2ccccc2Br)nn1)c1ccc(OCC(F)(F)F)cc1 ZINC001461092723 1067780699 /nfs/dbraw/zinc/78/06/99/1067780699.db2.gz LGKRJTKFTDOEIW-CYBMUJFWSA-N 0 0 455.278 4.822 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2c(F)cc(Br)cc2F)cc1 ZINC001461094019 1067780908 /nfs/dbraw/zinc/78/09/08/1067780908.db2.gz CRSBIUPOCWPPND-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN COCCOc1ccc(NCc2cc(Br)c(OC(F)F)c(OC)c2)cc1F ZINC001461094772 1067781060 /nfs/dbraw/zinc/78/10/60/1067781060.db2.gz FUACQZPOLZDIPL-UHFFFAOYSA-N 0 0 450.251 4.836 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCSC2)CCS1 ZINC001546121063 1067781301 /nfs/dbraw/zinc/78/13/01/1067781301.db2.gz JQBWLPVMALHKJF-KRWDZBQOSA-N 0 0 450.649 4.861 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCSC2)CCS1 ZINC001546121064 1067781387 /nfs/dbraw/zinc/78/13/87/1067781387.db2.gz JQBWLPVMALHKJF-QGZVFWFLSA-N 0 0 450.649 4.861 20 0 JJADRN CCC1(CC)CCc2nc(NC(=O)[C@]3(CNC(=O)OC(C)(C)C)CCCOC3)sc2C1 ZINC001461097972 1067781601 /nfs/dbraw/zinc/78/16/01/1067781601.db2.gz XLKOCWGIHPJSJJ-QHCPKHFHSA-N 0 0 451.633 4.698 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2csc(Cc3ccccc3F)n2)cc1 ZINC001461098934 1067781714 /nfs/dbraw/zinc/78/17/14/1067781714.db2.gz WTIPLYSGBUELNP-UHFFFAOYSA-N 0 0 455.555 4.828 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(C)c1 ZINC001461101424 1067782127 /nfs/dbraw/zinc/78/21/27/1067782127.db2.gz RNDSTVRVIQXIED-JOCHJYFZSA-N 0 0 457.014 4.869 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001461103906 1067782423 /nfs/dbraw/zinc/78/24/23/1067782423.db2.gz GLMWVUSDQNTSOZ-CYFREDJKSA-N 0 0 450.560 4.996 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001461107482 1067783141 /nfs/dbraw/zinc/78/31/41/1067783141.db2.gz MSZUAZQUBQYLKK-UHFFFAOYSA-N 0 0 455.558 4.793 20 0 JJADRN COc1cccc(C2=CCN(C(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001546121680 1067783492 /nfs/dbraw/zinc/78/34/92/1067783492.db2.gz ICUOEROCMNRHFR-UHFFFAOYSA-N 0 0 451.567 4.608 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1)c1cccc(Br)c1 ZINC001461110521 1067783721 /nfs/dbraw/zinc/78/37/21/1067783721.db2.gz ASDLUXFVTXSCHL-FGZHOGPDSA-N 0 0 480.362 4.747 20 0 JJADRN Cc1cc(Br)c(CNCc2ccccc2N2CCOCC2)cc1Br ZINC001461114824 1067784110 /nfs/dbraw/zinc/78/41/10/1067784110.db2.gz WEQRXABTFUQMPL-UHFFFAOYSA-N 0 0 454.206 4.646 20 0 JJADRN O=C(NC[C@H]1CC2CCC1CC2)c1csc(I)c1Br ZINC001461115656 1067784516 /nfs/dbraw/zinc/78/45/16/1067784516.db2.gz OHNYMQQWDIUMGJ-UDNWOFFPSA-N 0 0 454.171 4.671 20 0 JJADRN Cc1ccccc1C1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC001461119498 1067784863 /nfs/dbraw/zinc/78/48/63/1067784863.db2.gz YWFRMZWXUTUJQB-GOSISDBHSA-N 0 0 455.396 4.724 20 0 JJADRN CC[C@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OC(C)(C)C ZINC001461123914 1067785726 /nfs/dbraw/zinc/78/57/26/1067785726.db2.gz DLERCKTVWZFJLA-HNNXBMFYSA-N 0 0 451.386 4.845 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1ccc(F)cc1I ZINC001461125260 1067786074 /nfs/dbraw/zinc/78/60/74/1067786074.db2.gz DFBNFBCVXUIBDZ-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1OC ZINC001461125786 1067786517 /nfs/dbraw/zinc/78/65/17/1067786517.db2.gz RPVCQCPDTLOAQG-OAGGEKHMSA-N 0 0 454.995 4.996 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC1(c2cccc(Cl)c2)CCC1 ZINC001461128351 1067786762 /nfs/dbraw/zinc/78/67/62/1067786762.db2.gz PFPQEFDWTFHQGD-UHFFFAOYSA-N 0 0 455.723 4.909 20 0 JJADRN COc1ccc(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)cc1Br ZINC001461128999 1067787025 /nfs/dbraw/zinc/78/70/25/1067787025.db2.gz PHCOOQBICZCMLM-UHFFFAOYSA-N 0 0 451.162 4.900 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001461129755 1067787115 /nfs/dbraw/zinc/78/71/15/1067787115.db2.gz UZZYRVDFEQYRJT-UHFFFAOYSA-N 0 0 451.726 4.998 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)/C=C\c2ccccc2OCc2ccccc2)CCOCC1 ZINC001461137005 1067787937 /nfs/dbraw/zinc/78/79/37/1067787937.db2.gz MZXASUIXSGPAJJ-YPKPFQOOSA-N 0 0 451.563 4.534 20 0 JJADRN CCOc1cc2c(cc1CNCc1cn(-c3ccccc3Br)nc1C)O[C@H](C)C2 ZINC001461141019 1067788290 /nfs/dbraw/zinc/78/82/90/1067788290.db2.gz UMQJGWHUYXLTOO-OAHLLOKOSA-N 0 0 456.384 4.955 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461142782 1067788321 /nfs/dbraw/zinc/78/83/21/1067788321.db2.gz FVHOOMATWMKXEI-DYVFJYSZSA-N 0 0 456.340 4.568 20 0 JJADRN CNC(=O)[C@H](CNC(=O)c1ccc(C)cc1Sc1ccccc1)Cc1ccc(F)cc1C ZINC001461145943 1067788700 /nfs/dbraw/zinc/78/87/00/1067788700.db2.gz CRUJXLQVBHEFSY-FQEVSTJZSA-N 0 0 450.579 4.928 20 0 JJADRN FC(F)(F)c1ccc(Cn2nccc2NCc2cn3ccc(Br)cc3n2)cc1 ZINC001461150331 1067789902 /nfs/dbraw/zinc/78/99/02/1067789902.db2.gz RJRCFGMQPMYQKW-UHFFFAOYSA-N 0 0 450.262 4.973 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001461154098 1067790205 /nfs/dbraw/zinc/79/02/05/1067790205.db2.gz AFOPDPLKYLADPN-IBGZPJMESA-N 0 0 452.913 4.727 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CC[C@H](Oc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461156995 1067790623 /nfs/dbraw/zinc/79/06/23/1067790623.db2.gz DBSDGXYSKAUQTI-YDHSSHFGSA-N 0 0 458.961 4.847 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc(COc2ccc(F)cc2)cc1 ZINC001461158075 1067790991 /nfs/dbraw/zinc/79/09/91/1067790991.db2.gz RDFPXAMPQDBXML-UHFFFAOYSA-N 0 0 455.839 4.898 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](COCc2ccccc2)C(=O)OCc2ccccc2)cc1C ZINC001461166082 1067791759 /nfs/dbraw/zinc/79/17/59/1067791759.db2.gz JIVGEOWCNIZHBK-VJGNERBWSA-N 0 0 457.570 4.852 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C[C@@H]1CCCO1 ZINC001461167623 1067791997 /nfs/dbraw/zinc/79/19/97/1067791997.db2.gz PMZRKBJQHHBIMV-ZDUSSCGKSA-N 0 0 452.857 4.593 20 0 JJADRN C[C@H](OC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Sc2ccccc2)cc1 ZINC001461169914 1067792033 /nfs/dbraw/zinc/79/20/33/1067792033.db2.gz DNKHEUBDFLBRDP-SFHVURJKSA-N 0 0 455.601 4.935 20 0 JJADRN COc1ccc(-n2ccc(CNCc3cc(Br)cc(Br)c3)n2)cc1 ZINC001461170209 1067792247 /nfs/dbraw/zinc/79/22/47/1067792247.db2.gz JXPAWXGJBULTHS-UHFFFAOYSA-N 0 0 451.162 4.696 20 0 JJADRN O=C(COc1cccc(Br)c1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC001461172923 1067792713 /nfs/dbraw/zinc/79/27/13/1067792713.db2.gz WMLMKPIEMYNDLG-UHFFFAOYSA-N 0 0 454.040 4.643 20 0 JJADRN O=C(Nc1cc2ccccc2nn1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001461173787 1067792751 /nfs/dbraw/zinc/79/27/51/1067792751.db2.gz DYLRJVMIYDZXRJ-UHFFFAOYSA-N 0 0 453.211 4.788 20 0 JJADRN CCc1c(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cnn1Cc1ccccc1 ZINC001461172454 1067792775 /nfs/dbraw/zinc/79/27/75/1067792775.db2.gz UKEARSVTQGHIBC-UHFFFAOYSA-N 0 0 453.262 4.922 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC001461179027 1067793552 /nfs/dbraw/zinc/79/35/52/1067793552.db2.gz LORMOCQLSOMYMF-UHFFFAOYSA-N 0 0 451.395 4.909 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCc2ccc(F)c(Cl)c21 ZINC001461180268 1067793723 /nfs/dbraw/zinc/79/37/23/1067793723.db2.gz CQCPJNZDMUCTRY-ZDUSSCGKSA-N 0 0 451.723 4.574 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)Cn2c(=O)sc(C)c2-c2ccccc2)c(Cl)c1 ZINC001461181556 1067794162 /nfs/dbraw/zinc/79/41/62/1067794162.db2.gz ZTYBRYDSTGLNBN-UHFFFAOYSA-N 0 0 450.347 4.789 20 0 JJADRN CC[C@@H]1C[C@H](CC(=O)Nc2cccc(Br)c2I)CCO1 ZINC001461183798 1067794685 /nfs/dbraw/zinc/79/46/85/1067794685.db2.gz DPTGLWOGEOIOOT-GHMZBOCLSA-N 0 0 452.130 4.588 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1 ZINC001461183850 1067794697 /nfs/dbraw/zinc/79/46/97/1067794697.db2.gz DZXATJFARWAOMR-DEOSSOPVSA-N 0 0 458.514 4.801 20 0 JJADRN O=C(Nc1cccc(Br)c1I)c1ccc2cnccc2c1 ZINC001461184686 1067794947 /nfs/dbraw/zinc/79/49/47/1067794947.db2.gz JKBOSNVGRXAXRH-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC001461188082 1067795577 /nfs/dbraw/zinc/79/55/77/1067795577.db2.gz GCFARXNAFABIBC-ZWCUEREDSA-N 0 0 456.608 4.635 20 0 JJADRN Cc1cccn2cc(COc3ccc(C(=O)Nc4cncc(C(=O)OC(C)(C)C)c4)cc3)nc12 ZINC001461188060 1067795728 /nfs/dbraw/zinc/79/57/28/1067795728.db2.gz FUUPXHPVYKAXOI-UHFFFAOYSA-N 0 0 458.518 4.824 20 0 JJADRN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001461188972 1067796120 /nfs/dbraw/zinc/79/61/20/1067796120.db2.gz CDPNFHNDDIUTSA-HNNXBMFYSA-N 0 0 454.445 4.709 20 0 JJADRN C[C@@H](NC(=O)c1ccc(F)c(I)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461189871 1067796148 /nfs/dbraw/zinc/79/61/48/1067796148.db2.gz FPJXRDKAJMTEMO-KWCYVHTRSA-N 0 0 475.342 4.553 20 0 JJADRN CC(C)[C@@H](CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001461190812 1067796360 /nfs/dbraw/zinc/79/63/60/1067796360.db2.gz FQGDPQIVTVLHRS-OAHLLOKOSA-N 0 0 457.411 4.833 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193818 1067796837 /nfs/dbraw/zinc/79/68/37/1067796837.db2.gz QOISFVUGLJFGLE-LCWAXJCOSA-N 0 0 466.663 4.969 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 ZINC001461195114 1067797252 /nfs/dbraw/zinc/79/72/52/1067797252.db2.gz OZFBUIDSLWRKES-RUZDIDTESA-N 0 0 459.590 4.791 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461195405 1067797503 /nfs/dbraw/zinc/79/75/03/1067797503.db2.gz XDOVSJNVLXDSJK-JCGIZDLHSA-N 0 0 476.415 4.757 20 0 JJADRN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001461198272 1067798001 /nfs/dbraw/zinc/79/80/01/1067798001.db2.gz WADNVASMNIVETF-QGZVFWFLSA-N 0 0 451.375 4.999 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)CCCC1 ZINC001546122421 1067798531 /nfs/dbraw/zinc/79/85/31/1067798531.db2.gz KQZTUUDDLLXSTB-UHFFFAOYSA-N 0 0 459.679 4.951 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001461207194 1067799349 /nfs/dbraw/zinc/79/93/49/1067799349.db2.gz RTPULXRXRCAQGM-UHFFFAOYSA-N 0 0 454.246 4.723 20 0 JJADRN COc1ccc([C@H](NCc2ccc3c(c2)sc(=O)n3C)c2ccc(OC)cc2OC)cc1 ZINC001461209653 1067799726 /nfs/dbraw/zinc/79/97/26/1067799726.db2.gz UYVKTZZWTIMWFC-DEOSSOPVSA-N 0 0 450.560 4.505 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001461210110 1067800205 /nfs/dbraw/zinc/80/02/05/1067800205.db2.gz MQGZVKLEOJRYSA-IFXJQAMLSA-N 0 0 450.988 4.766 20 0 JJADRN CCNC(=O)Oc1cccc(OC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1 ZINC001461217809 1067801612 /nfs/dbraw/zinc/80/16/12/1067801612.db2.gz YNOJBXZALDFFLT-UHFFFAOYSA-N 0 0 451.262 4.888 20 0 JJADRN Cc1ccc(I)c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)F)c1 ZINC001461222019 1067802596 /nfs/dbraw/zinc/80/25/96/1067802596.db2.gz ILSPZAWRAIYMFU-UHFFFAOYSA-N 0 0 453.230 4.975 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@H](CC(=O)OC(C)C)C(C)C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001461220666 1067802682 /nfs/dbraw/zinc/80/26/82/1067802682.db2.gz MUJSAHUUCMYYSI-OAQYLSRUSA-N 0 0 454.571 4.985 20 0 JJADRN COCC1(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)CC1 ZINC001461227421 1067804407 /nfs/dbraw/zinc/80/44/07/1067804407.db2.gz AWCMNBVSBWUECR-UHFFFAOYSA-N 0 0 457.427 4.543 20 0 JJADRN O=C(C1CCN(CC(F)(F)F)CC1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001461226681 1067804427 /nfs/dbraw/zinc/80/44/27/1067804427.db2.gz YNTUUKXFWJTUMS-UHFFFAOYSA-N 0 0 458.739 4.570 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cn(-c2ccccc2Cl)nn1 ZINC001461228617 1067804807 /nfs/dbraw/zinc/80/48/07/1067804807.db2.gz KCNIOCZVDCHITA-UHFFFAOYSA-N 0 0 450.848 4.671 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001461229649 1067804989 /nfs/dbraw/zinc/80/49/89/1067804989.db2.gz DWHSWKTXAATZSW-GMBSWORKSA-N 0 0 450.963 4.881 20 0 JJADRN CC(=O)N[C@@H](C(=O)NCCCc1c(Cl)cccc1Cl)c1cccc(Br)c1 ZINC001461234215 1067805352 /nfs/dbraw/zinc/80/53/52/1067805352.db2.gz KUMHGYSZFHGGJG-GOSISDBHSA-N 0 0 458.183 4.682 20 0 JJADRN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2n[nH]cc2Br)cc1 ZINC001461235137 1067806436 /nfs/dbraw/zinc/80/64/36/1067806436.db2.gz YKFUDDUKGLEXKZ-UHFFFAOYSA-N 0 0 450.384 4.936 20 0 JJADRN O=C(c1cc(-c2ccccc2Cl)on1)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461237152 1067806624 /nfs/dbraw/zinc/80/66/24/1067806624.db2.gz ANBRZBSZCDJSAN-UHFFFAOYSA-N 0 0 455.864 4.545 20 0 JJADRN Cc1ccc(-n2ccc(NC(=O)c3c(F)ccc(I)c3Cl)n2)cc1 ZINC001461239503 1067807423 /nfs/dbraw/zinc/80/74/23/1067807423.db2.gz PNDGCPLAVDXQEA-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c(F)c1 ZINC001461240192 1067807531 /nfs/dbraw/zinc/80/75/31/1067807531.db2.gz VHJYUPZBCJTNCC-UHFFFAOYSA-N 0 0 456.558 4.897 20 0 JJADRN CCN(CC)C(=O)COc1cccc(NCc2c[nH]nc2-c2ccc(Br)cc2)c1 ZINC001461249559 1067809442 /nfs/dbraw/zinc/80/94/42/1067809442.db2.gz FFAYCVWEKYWXMC-UHFFFAOYSA-N 0 0 457.372 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC001461249913 1067809688 /nfs/dbraw/zinc/80/96/88/1067809688.db2.gz XSURSPPKQRMMTO-UHFFFAOYSA-N 0 0 451.567 4.706 20 0 JJADRN COC(OC)[C@@H](NC(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccccc1 ZINC001461255458 1067810759 /nfs/dbraw/zinc/81/07/59/1067810759.db2.gz PHHLDUSGTXJPQQ-FQEVSTJZSA-N 0 0 457.324 4.726 20 0 JJADRN O=C(Nc1ncc2[nH]ccc2c1Br)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001461254840 1067810832 /nfs/dbraw/zinc/81/08/32/1067810832.db2.gz QGJAGTXFBRPROZ-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN CCOc1cc(CNc2cccc(OCC(=O)N3CCCC3)c2)ccc1OCC(F)(F)F ZINC001461254139 1067810981 /nfs/dbraw/zinc/81/09/81/1067810981.db2.gz UHJVWUNDCVVHBX-UHFFFAOYSA-N 0 0 452.473 4.640 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)OCc1ncc(Br)cc1Cl ZINC001461256900 1067811318 /nfs/dbraw/zinc/81/13/18/1067811318.db2.gz TWAMSUCHZBFAQK-UHFFFAOYSA-N 0 0 454.626 4.561 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CCCC1 ZINC001546122787 1067811400 /nfs/dbraw/zinc/81/14/00/1067811400.db2.gz XNJUXNBGZXYPBE-DENIHFKCSA-N 0 0 453.631 4.979 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CCCC1 ZINC001546122789 1067811470 /nfs/dbraw/zinc/81/14/70/1067811470.db2.gz XNJUXNBGZXYPBE-SIKLNZKXSA-N 0 0 453.631 4.979 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CCCC1 ZINC001546122790 1067811521 /nfs/dbraw/zinc/81/15/21/1067811521.db2.gz XNJUXNBGZXYPBE-UGKGYDQZSA-N 0 0 453.631 4.979 20 0 JJADRN COC(OC)[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccccc1 ZINC001461256679 1067811558 /nfs/dbraw/zinc/81/15/58/1067811558.db2.gz SDUZFPKTOFPVQD-FQEVSTJZSA-N 0 0 457.324 4.726 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)[C@@H]1COc2ccc(Br)cc21 ZINC001461257937 1067812101 /nfs/dbraw/zinc/81/21/01/1067812101.db2.gz YHOYIDQJVMFQLO-QGZVFWFLSA-N 0 0 457.711 4.843 20 0 JJADRN O=C(COc1ccc(C(=O)N2CC[C@@]3(CC3(F)F)C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461262083 1067812729 /nfs/dbraw/zinc/81/27/29/1067812729.db2.gz KCSNAGNVISLVPH-HXUWFJFHSA-N 0 0 454.395 4.594 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)NCCC[C@H]1CC1(Cl)Cl ZINC001461262803 1067812856 /nfs/dbraw/zinc/81/28/56/1067812856.db2.gz LAZGELBHUPNIAH-VIFPVBQESA-N 0 0 453.189 4.583 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)NCCC[C@@H]1CC1(Cl)Cl ZINC001461262798 1067813141 /nfs/dbraw/zinc/81/31/41/1067813141.db2.gz LAZGELBHUPNIAH-SECBINFHSA-N 0 0 453.189 4.583 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)NCCC[C@H]1CC1(Cl)Cl ZINC001461267280 1067814387 /nfs/dbraw/zinc/81/43/87/1067814387.db2.gz XGUKVVICZAEDHO-GJZGRUSLSA-N 0 0 455.304 4.714 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461268366 1067814401 /nfs/dbraw/zinc/81/44/01/1067814401.db2.gz SCMBYHVGZVLXOZ-HNNXBMFYSA-N 0 0 457.372 4.865 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC001461267098 1067814640 /nfs/dbraw/zinc/81/46/40/1067814640.db2.gz FUZHFWQWQQQVFZ-LLVKDONJSA-N 0 0 458.686 4.763 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)c1 ZINC001461269515 1067815064 /nfs/dbraw/zinc/81/50/64/1067815064.db2.gz GUWMKPMEBBOFHA-UHFFFAOYSA-N 0 0 453.898 4.818 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)c2ccccc21 ZINC001461280015 1067816696 /nfs/dbraw/zinc/81/66/96/1067816696.db2.gz BMRVOIPTNJCINU-UXHICEINSA-N 0 0 455.576 4.627 20 0 JJADRN C[C@@H]1CN(c2cc(F)cc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)c2)C[C@H](C)O1 ZINC001461284131 1067817419 /nfs/dbraw/zinc/81/74/19/1067817419.db2.gz JVVAHZKEVKBDIP-CALCHBBNSA-N 0 0 457.546 4.968 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001461286296 1067818121 /nfs/dbraw/zinc/81/81/21/1067818121.db2.gz FPZAZEPYJYJSKB-MSOLQXFVSA-N 0 0 450.539 4.650 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC001461287066 1067818593 /nfs/dbraw/zinc/81/85/93/1067818593.db2.gz GCJQIESKOYEFHB-IBGZPJMESA-N 0 0 453.963 4.819 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cc(Br)ncc2Cl)c2ccccc21 ZINC001461290041 1067819343 /nfs/dbraw/zinc/81/93/43/1067819343.db2.gz HJPOMXHZGLQKFC-XJKSGUPXSA-N 0 0 451.748 4.798 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(Br)ncc2Cl)c2ccccc21 ZINC001461290038 1067819540 /nfs/dbraw/zinc/81/95/40/1067819540.db2.gz HJPOMXHZGLQKFC-CZUORRHYSA-N 0 0 451.748 4.798 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1F ZINC001461291447 1067819804 /nfs/dbraw/zinc/81/98/04/1067819804.db2.gz DTYJGUXCPLYSDO-STQMWFEESA-N 0 0 459.356 4.505 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@H]3C)cc2s1 ZINC001461290342 1067819965 /nfs/dbraw/zinc/81/99/65/1067819965.db2.gz PRWWXRKWOHQKNG-KGLIPLIRSA-N 0 0 452.646 4.722 20 0 JJADRN Cc1ccc(N(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C(C)C)cc1Br ZINC001461292954 1067820412 /nfs/dbraw/zinc/82/04/12/1067820412.db2.gz LZCAGOQISOJFCR-AWEZNQCLSA-N 0 0 451.311 4.830 20 0 JJADRN COc1ccc(C(=O)N2CCOCC2)cc1NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001461297607 1067821198 /nfs/dbraw/zinc/82/11/98/1067821198.db2.gz AYPQAIVLAZMAOJ-YVMONPNESA-N 0 0 458.558 4.872 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)N(C)c3nccc(-c4sccc4Br)n3)c21 ZINC001461298806 1067822026 /nfs/dbraw/zinc/82/20/26/1067822026.db2.gz RMCFWGUEJWYUFH-UHFFFAOYSA-N 0 0 457.353 4.663 20 0 JJADRN COc1ccc(CCCC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)cc1OC ZINC001461299476 1067822307 /nfs/dbraw/zinc/82/23/07/1067822307.db2.gz ZLWJXPOQVQSEDB-UHFFFAOYSA-N 0 0 456.340 4.885 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1(c2ccccc2Cl)CCC1 ZINC001461305057 1067823479 /nfs/dbraw/zinc/82/34/79/1067823479.db2.gz HVFDYGKHLKVJOT-UHFFFAOYSA-N 0 0 456.789 4.624 20 0 JJADRN Fc1cc(NCc2cc(Br)sc2Br)ccc1N1CCOCC1 ZINC001461314914 1067826410 /nfs/dbraw/zinc/82/64/10/1067826410.db2.gz JVAXECDKCSTHPF-UHFFFAOYSA-N 0 0 450.171 4.861 20 0 JJADRN COc1ccccc1[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccco1 ZINC001461317189 1067826734 /nfs/dbraw/zinc/82/67/34/1067826734.db2.gz RFRIWKBFYIFPCU-RUZDIDTESA-N 0 0 456.970 4.532 20 0 JJADRN CC[C@H](C)CN(C)c1ccc(F)cc1CNc1ccc(CC(=O)N2CCN(CC)CC2)cc1 ZINC001461316496 1067826867 /nfs/dbraw/zinc/82/68/67/1067826867.db2.gz GUPBMQQDQDDXKN-NRFANRHFSA-N 0 0 454.634 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NCc3c(Cl)cccc3S(C)(=O)=O)cc2C1 ZINC001461319887 1067827316 /nfs/dbraw/zinc/82/73/16/1067827316.db2.gz QDTBPHQUAQEIDC-UHFFFAOYSA-N 0 0 450.988 4.649 20 0 JJADRN Cc1cc(C)n(-c2ccc(NCc3ccc(OCCN4CCOCC4)c(Cl)c3)cc2F)n1 ZINC001461323010 1067828169 /nfs/dbraw/zinc/82/81/69/1067828169.db2.gz BWKCBQSILKQFBV-UHFFFAOYSA-N 0 0 458.965 4.605 20 0 JJADRN COCCn1ncc2ccc(NCc3cc(Br)c(OC(F)F)c(OC)c3)cc21 ZINC001461330160 1067830545 /nfs/dbraw/zinc/83/05/45/1067830545.db2.gz LRAQVHFIWLCVTA-UHFFFAOYSA-N 0 0 456.287 4.667 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461329686 1067830623 /nfs/dbraw/zinc/83/06/23/1067830623.db2.gz KWAKCLHZNDIWFA-KXBFYZLASA-N 0 0 453.421 4.842 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)c(F)c1 ZINC001461335179 1067831306 /nfs/dbraw/zinc/83/13/06/1067831306.db2.gz OJJMEFDMKNIMKV-LJQANCHMSA-N 0 0 450.457 4.567 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001461335358 1067831530 /nfs/dbraw/zinc/83/15/30/1067831530.db2.gz UVDIAOROICLQLA-KXBFYZLASA-N 0 0 451.539 4.550 20 0 JJADRN Cc1c(CN(C)C(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)oc2c1cccc2C ZINC001461336221 1067831945 /nfs/dbraw/zinc/83/19/45/1067831945.db2.gz APRDYHAEKGYCNG-GOSISDBHSA-N 0 0 451.592 4.820 20 0 JJADRN CC1(C)C[C@H](NC(=O)c2cc(Br)nc(Br)c2)c2cc(F)ccc2O1 ZINC001461340194 1067833447 /nfs/dbraw/zinc/83/34/47/1067833447.db2.gz WKTKHTMIZYCNNW-LBPRGKRZSA-N 0 0 458.125 4.778 20 0 JJADRN COc1cc(CN[C@H](C)c2noc(-c3ccccc3)n2)cc(Br)c1OC(F)F ZINC001461341125 1067833819 /nfs/dbraw/zinc/83/38/19/1067833819.db2.gz OOXRUGAAFOUKFO-LLVKDONJSA-N 0 0 454.271 4.960 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccn(CC(F)F)n2)cc1OC ZINC001461343120 1067834142 /nfs/dbraw/zinc/83/41/42/1067834142.db2.gz UDSWTZJFGGGSEV-UHFFFAOYSA-N 0 0 453.493 4.689 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(I)c(Cl)cc2Cl)CC2(CCCC2)O1 ZINC001461357272 1067837370 /nfs/dbraw/zinc/83/73/70/1067837370.db2.gz IGUXFUUNTPFGAS-SNVBAGLBSA-N 0 0 454.135 4.772 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(I)c(Cl)cc2Cl)CC2(CCCC2)O1 ZINC001461357270 1067837381 /nfs/dbraw/zinc/83/73/81/1067837381.db2.gz IGUXFUUNTPFGAS-JTQLQIEISA-N 0 0 454.135 4.772 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001461357574 1067837616 /nfs/dbraw/zinc/83/76/16/1067837616.db2.gz MUGQADDVDZOBLC-CXAGYDPISA-N 0 0 458.914 4.797 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC001461358277 1067837667 /nfs/dbraw/zinc/83/76/67/1067837667.db2.gz GMRLTDYWRHGOHD-UHFFFAOYSA-N 0 0 452.873 4.965 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c(Cl)c1 ZINC001461358082 1067837731 /nfs/dbraw/zinc/83/77/31/1067837731.db2.gz CKVQHJFZHDTFGS-KRWDZBQOSA-N 0 0 451.951 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C12CCCC2 ZINC001461360366 1067838565 /nfs/dbraw/zinc/83/85/65/1067838565.db2.gz IAZGEGZOCMJWRG-IBGZPJMESA-N 0 0 459.587 4.925 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461365687 1067839398 /nfs/dbraw/zinc/83/93/98/1067839398.db2.gz SVRYBNLKUKMLNX-INIZCTEOSA-N 0 0 455.368 4.949 20 0 JJADRN O=C(N1CCS[C@@H](c2ccccc2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001461370077 1067840131 /nfs/dbraw/zinc/84/01/31/1067840131.db2.gz QRLNIGJVTDODCM-HXUWFJFHSA-N 0 0 450.025 4.743 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1 ZINC001461371149 1067840182 /nfs/dbraw/zinc/84/01/82/1067840182.db2.gz XUMZZIJWELHUQW-REHUZNOOSA-N 0 0 452.620 4.785 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)c2)cs1 ZINC001461369351 1067840231 /nfs/dbraw/zinc/84/02/31/1067840231.db2.gz MBISSQRTEAXJDJ-DFBJGRDBSA-N 0 0 471.623 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)o2)CC1 ZINC001461371844 1067840618 /nfs/dbraw/zinc/84/06/18/1067840618.db2.gz SMMDWSAPLVJKDT-VWLOTQADSA-N 0 0 457.546 4.732 20 0 JJADRN Cc1cc(Br)c(CNc2ccc(N3CCOCC3)nc2C)cc1Br ZINC001461371798 1067840689 /nfs/dbraw/zinc/84/06/89/1067840689.db2.gz XKONMQGVMPFLDB-UHFFFAOYSA-N 0 0 455.194 4.672 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC001461374108 1067841165 /nfs/dbraw/zinc/84/11/65/1067841165.db2.gz UPHMKSVKNKZUDG-XCRHUMRWSA-N 0 0 469.420 4.964 20 0 JJADRN CCSc1ccc(-c2nn(-c3ccccc3)cc2CNc2cnc(OC)c(C(N)=O)c2)cc1 ZINC001461376752 1067841400 /nfs/dbraw/zinc/84/14/00/1067841400.db2.gz ATSDTCGHGBRCPB-UHFFFAOYSA-N 0 0 459.575 4.766 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)/C=C/c2ccc(I)o2)cc1 ZINC001461376821 1067841421 /nfs/dbraw/zinc/84/14/21/1067841421.db2.gz QDERVUQDLDKRQJ-TYZQSYOASA-N 0 0 451.304 4.530 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001461378376 1067841889 /nfs/dbraw/zinc/84/18/89/1067841889.db2.gz WIYMFYLJQQHIAA-UGKGYDQZSA-N 0 0 458.599 4.626 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)N1CCOc2cc(Br)ccc21 ZINC001461380652 1067842232 /nfs/dbraw/zinc/84/22/32/1067842232.db2.gz MKKDOBVWWTXWHB-UHFFFAOYSA-N 0 0 451.320 4.522 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccc(Cl)c(Cl)c3)cn1)C2 ZINC001461380570 1067842390 /nfs/dbraw/zinc/84/23/90/1067842390.db2.gz OXYOJRMOGKQQMV-WNSKOXEYSA-N 0 0 479.408 4.946 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)C2 ZINC001461379007 1067842465 /nfs/dbraw/zinc/84/24/65/1067842465.db2.gz JNFASCKVWDOWMC-DKMQYJSJSA-N 0 0 477.443 4.880 20 0 JJADRN Cc1cc(I)ccc1NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461380676 1067842671 /nfs/dbraw/zinc/84/26/71/1067842671.db2.gz WGVZHTIWOQNQJJ-GFCCVEGCSA-N 0 0 458.262 4.857 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461380992 1067842801 /nfs/dbraw/zinc/84/28/01/1067842801.db2.gz GWKMODSHYIXERF-BLVKFPJESA-N 0 0 453.743 4.688 20 0 JJADRN COc1cc(CNc2c(C)c(C)nn2CCO)ccc1OCc1ccc(Cl)cc1Cl ZINC001461382450 1067843342 /nfs/dbraw/zinc/84/33/42/1067843342.db2.gz MSUVNBUKIFXEOH-UHFFFAOYSA-N 0 0 450.366 4.999 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c(C)c1Br ZINC001461385835 1067844095 /nfs/dbraw/zinc/84/40/95/1067844095.db2.gz OJNSXZCSSDCOBI-UHFFFAOYSA-N 0 0 452.190 4.791 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461387636 1067844625 /nfs/dbraw/zinc/84/46/25/1067844625.db2.gz USEWBSPCWYDMTL-MZLICYQSSA-N 0 0 458.624 4.598 20 0 JJADRN CCOc1cc(CNc2cc(C)n(-c3ccccc3Cl)n2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461391246 1067845026 /nfs/dbraw/zinc/84/50/26/1067845026.db2.gz NLWFOEPDCWPQEK-KRWDZBQOSA-N 0 0 456.974 4.700 20 0 JJADRN COCc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C(F)(F)F ZINC001461395301 1067845349 /nfs/dbraw/zinc/84/53/49/1067845349.db2.gz XYDFNZQGHHJMPR-UHFFFAOYSA-N 0 0 454.404 4.905 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001461395088 1067845388 /nfs/dbraw/zinc/84/53/88/1067845388.db2.gz KBCCKVVTKHWQBN-RDTXWAMCSA-N 0 0 450.988 4.639 20 0 JJADRN O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCOc2cc(Br)ccc21 ZINC001461395349 1067845486 /nfs/dbraw/zinc/84/54/86/1067845486.db2.gz YNHCOPLKSXAYKR-CYBMUJFWSA-N 0 0 453.130 4.503 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461398380 1067846357 /nfs/dbraw/zinc/84/63/57/1067846357.db2.gz XEWBBCYIAQYFHV-KBAYOESNSA-N 0 0 482.021 4.721 20 0 JJADRN C[C@@]1(CCNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C[C@]1(F)Cl ZINC001461397502 1067846374 /nfs/dbraw/zinc/84/63/74/1067846374.db2.gz UFWXDSGKJAGVNZ-WOJBJXKFSA-N 0 0 454.771 4.948 20 0 JJADRN O=C(c1ccc(OCc2ccccc2)nc1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001461413163 1067849491 /nfs/dbraw/zinc/84/94/91/1067849491.db2.gz SHURJPMIHDLBBJ-OAQYLSRUSA-N 0 0 453.336 4.637 20 0 JJADRN COCCN(CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)OC(C)(C)C ZINC001461412553 1067849699 /nfs/dbraw/zinc/84/96/99/1067849699.db2.gz KEEYEULKMQJCFN-UHFFFAOYSA-N 0 0 459.534 4.802 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001461414080 1067849935 /nfs/dbraw/zinc/84/99/35/1067849935.db2.gz BFSZBIDSNCGJAG-GEQKSPFYSA-N 0 0 454.533 4.794 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001461413381 1067849969 /nfs/dbraw/zinc/84/99/69/1067849969.db2.gz UTJYJWCFLKUFDN-QGZVFWFLSA-N 0 0 458.274 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001461415751 1067850462 /nfs/dbraw/zinc/85/04/62/1067850462.db2.gz IOWZRLDSDZMFKR-NRFANRHFSA-N 0 0 456.505 4.956 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001461415756 1067850725 /nfs/dbraw/zinc/85/07/25/1067850725.db2.gz IOWZRLDSDZMFKR-OAQYLSRUSA-N 0 0 456.505 4.956 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC001461417978 1067851342 /nfs/dbraw/zinc/85/13/42/1067851342.db2.gz XAUQWHQKNGEICR-NRFANRHFSA-N 0 0 450.482 4.867 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001461418351 1067851581 /nfs/dbraw/zinc/85/15/81/1067851581.db2.gz JWVCCZWVUFOVNL-FZKQIMNGSA-N 0 0 452.473 4.736 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cnc2c(F)cccc2c1 ZINC001461422750 1067853036 /nfs/dbraw/zinc/85/30/36/1067853036.db2.gz ZZESIHXAEIBHAB-GOSISDBHSA-N 0 0 453.518 4.703 20 0 JJADRN CS(=O)(=O)N1CCc2c1cccc2NCc1sc(Sc2ccccc2)nc1Cl ZINC001461424367 1067853050 /nfs/dbraw/zinc/85/30/50/1067853050.db2.gz WHJNYMJWJBHYAX-UHFFFAOYSA-N 0 0 452.026 4.882 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cnc2c(F)cccc2c1 ZINC001461422751 1067853064 /nfs/dbraw/zinc/85/30/64/1067853064.db2.gz ZZESIHXAEIBHAB-SFHVURJKSA-N 0 0 453.518 4.703 20 0 JJADRN COc1ccc(-n2nc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)[C@@H]3C)cc2C)cc1 ZINC001461429511 1067854005 /nfs/dbraw/zinc/85/40/05/1067854005.db2.gz COTYYCYHODCUNI-KSFYIVLOSA-N 0 0 470.367 4.554 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)COc1cccc(Br)c1 ZINC001461430103 1067854080 /nfs/dbraw/zinc/85/40/80/1067854080.db2.gz IVKQKDIYOAHTPO-ORAYPTAESA-N 0 0 469.173 4.579 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3cncc(OCC(F)(F)F)n3)s2)cc1 ZINC001461437587 1067856223 /nfs/dbraw/zinc/85/62/23/1067856223.db2.gz MUIIYTSTZWEMGJ-UHFFFAOYSA-N 0 0 452.458 4.755 20 0 JJADRN O=C(Nc1cncc(OCC(F)(F)F)n1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001461436122 1067856248 /nfs/dbraw/zinc/85/62/48/1067856248.db2.gz HMJPOUUYLPNMBG-GOSISDBHSA-N 0 0 455.795 4.969 20 0 JJADRN Cc1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)c(-n2cc(Cl)cn2)n1 ZINC001461440019 1067856729 /nfs/dbraw/zinc/85/67/29/1067856729.db2.gz YHJZVMLVGBFGDY-UHFFFAOYSA-N 0 0 457.763 4.672 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)CC[C@@H](C)CC1 ZINC001461442667 1067857728 /nfs/dbraw/zinc/85/77/28/1067857728.db2.gz NGVQQTKUKPFNGP-MRAWUWRDSA-N 0 0 459.593 4.737 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)OC)CCC2 ZINC001461446812 1067858467 /nfs/dbraw/zinc/85/84/67/1067858467.db2.gz YDUFDYZHYVXEDJ-FQEVSTJZSA-N 0 0 457.526 4.777 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447576 1067859103 /nfs/dbraw/zinc/85/91/03/1067859103.db2.gz NKWYNWWTUNMEQE-BDJLRTHQSA-N 0 0 455.279 4.928 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1F)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461450430 1067859495 /nfs/dbraw/zinc/85/94/95/1067859495.db2.gz WMAASKLOFOCHGU-ABAIWWIYSA-N 0 0 455.279 4.928 20 0 JJADRN CS(=O)(=O)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1C(F)(F)F ZINC001461463770 1067862696 /nfs/dbraw/zinc/86/26/96/1067862696.db2.gz UKIKWWNAVFFXRT-UHFFFAOYSA-N 0 0 454.445 4.725 20 0 JJADRN CCS(=O)(=O)c1ccc(CNCc2csc(-c3cccc(Br)c3)n2)cc1 ZINC001461463263 1067862777 /nfs/dbraw/zinc/86/27/77/1067862777.db2.gz QSEXPPMLPWRYNU-UHFFFAOYSA-N 0 0 451.411 4.656 20 0 JJADRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1ncc(I)s1 ZINC001461465714 1067863659 /nfs/dbraw/zinc/86/36/59/1067863659.db2.gz SJQKJWKIKAOBIL-UHFFFAOYSA-N 0 0 455.365 4.540 20 0 JJADRN OC[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1C(F)(F)F ZINC001461465547 1067863667 /nfs/dbraw/zinc/86/36/67/1067863667.db2.gz UVONMZHVGZEPKD-MRXNPFEDSA-N 0 0 450.682 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccc3scnc32)C1 ZINC001461465902 1067863786 /nfs/dbraw/zinc/86/37/86/1067863786.db2.gz DASVQLRVEFNSLI-IEBWSBKVSA-N 0 0 455.555 4.958 20 0 JJADRN O=C(N[C@@H]1CSCc2ccc(Br)cc21)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001461467784 1067864463 /nfs/dbraw/zinc/86/44/63/1067864463.db2.gz PZFRQDGPHZEHQY-GOSISDBHSA-N 0 0 450.308 4.631 20 0 JJADRN CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1nsc2ccccc21 ZINC001461467904 1067864831 /nfs/dbraw/zinc/86/48/31/1067864831.db2.gz GQSYXMUWQOELPX-UYAOXDASSA-N 0 0 451.592 4.985 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc3ccncc3c2)cc1F ZINC001461469335 1067865243 /nfs/dbraw/zinc/86/52/43/1067865243.db2.gz FOXVPZBITDSTIJ-GMAHTHKFSA-N 0 0 479.552 4.906 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C\c2ccccc2)cc1F ZINC001461470318 1067865306 /nfs/dbraw/zinc/86/53/06/1067865306.db2.gz JFZSVBWEIXQWMK-QEZAGJSMSA-N 0 0 454.542 4.757 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(OC)cc2)cc1 ZINC001461471102 1067865659 /nfs/dbraw/zinc/86/56/59/1067865659.db2.gz BLMJYBHIYRHCAK-GOTSBHOMSA-N 0 0 454.567 4.617 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)no1 ZINC001461471693 1067866044 /nfs/dbraw/zinc/86/60/44/1067866044.db2.gz RPJNFMLCSPCBBH-BVZFJXPGSA-N 0 0 457.640 4.965 20 0 JJADRN Clc1ccc(OC[C@@H]2CCCO2)c(CNc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC001461471309 1067866093 /nfs/dbraw/zinc/86/60/93/1067866093.db2.gz JZLJQHIMZCIFOP-NRFANRHFSA-N 0 0 451.394 4.996 20 0 JJADRN CN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1nsc2ccccc21 ZINC001461471712 1067866140 /nfs/dbraw/zinc/86/61/40/1067866140.db2.gz HSJIFBWHWQOIKD-UHFFFAOYSA-N 0 0 458.381 4.574 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1csc(-c2ccc(Cl)s2)n1)(C1CCC1)C(F)(F)F ZINC001461472651 1067866484 /nfs/dbraw/zinc/86/64/84/1067866484.db2.gz IEXRVYRYDHHMQO-MRXNPFEDSA-N 0 0 452.907 4.919 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2ccc(C)c(C)c2)cc1F ZINC001461473336 1067866788 /nfs/dbraw/zinc/86/67/88/1067866788.db2.gz SXPOWMIBMMZJBH-GMAHTHKFSA-N 0 0 470.585 4.903 20 0 JJADRN COc1ccc(/C=C/C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)cc1 ZINC001461473914 1067867336 /nfs/dbraw/zinc/86/73/36/1067867336.db2.gz GMSCFFLJQIYVDN-XMLDYSHLSA-N 0 0 466.578 4.626 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC001461475156 1067868140 /nfs/dbraw/zinc/86/81/40/1067868140.db2.gz IUHGMGVRWXKZOX-VJTSUQJLSA-N 0 0 464.606 4.710 20 0 JJADRN CO[C@](C)(CNC(=O)c1ccc(Br)cc1OC(C)C)COCc1ccccc1 ZINC001461477144 1067868417 /nfs/dbraw/zinc/86/84/17/1067868417.db2.gz PDSYHJCYEVBMCW-JOCHJYFZSA-N 0 0 450.373 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2SCCc3sccc32)C1 ZINC001461476808 1067868930 /nfs/dbraw/zinc/86/89/30/1067868930.db2.gz KFYSQUNODLJXGQ-QFUCXCTJSA-N 0 0 458.649 4.988 20 0 JJADRN CCOC(=O)[C@](NC(=O)Cc1sc(SCC(C)C)nc1C)(C1CCC1)C(F)(F)F ZINC001461477616 1067869294 /nfs/dbraw/zinc/86/92/94/1067869294.db2.gz SQWSFMSEWUUBOO-GOSISDBHSA-N 0 0 452.564 4.523 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC001461477433 1067869340 /nfs/dbraw/zinc/86/93/40/1067869340.db2.gz NLOMWWFRKRQBSF-HCUBDLJJSA-N 0 0 474.642 4.746 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001461478345 1067869590 /nfs/dbraw/zinc/86/95/90/1067869590.db2.gz BBONINLLOILVCK-VIFPVBQESA-N 0 0 454.189 4.823 20 0 JJADRN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001461479050 1067869971 /nfs/dbraw/zinc/86/99/71/1067869971.db2.gz MWKBBVYMYXAAHV-QHCPKHFHSA-N 0 0 458.400 4.975 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC001461479359 1067869989 /nfs/dbraw/zinc/86/99/89/1067869989.db2.gz UCVBZOLBZMJMCH-UPVQGACJSA-N 0 0 463.578 4.628 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(C(F)F)o2)cc1 ZINC001461480526 1067870347 /nfs/dbraw/zinc/87/03/47/1067870347.db2.gz WXXFFHUOPWLRCC-IRXDYDNUSA-N 0 0 450.482 4.749 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Oc2ncccc2C)cc1)c1ccccc1Br ZINC001461481243 1067871036 /nfs/dbraw/zinc/87/10/36/1067871036.db2.gz DBWHWGFBVVVADZ-IBGZPJMESA-N 0 0 455.308 4.589 20 0 JJADRN CC(C)n1ncc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3cccc(F)c3)cnc21 ZINC001461481725 1067871398 /nfs/dbraw/zinc/87/13/98/1067871398.db2.gz ZFCLBURAWRSCME-FGZHOGPDSA-N 0 0 481.572 4.674 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)n2)cc1 ZINC001461484707 1067872162 /nfs/dbraw/zinc/87/21/62/1067872162.db2.gz IQPJNVAKYOJPAP-LJQANCHMSA-N 0 0 452.555 4.518 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC001461486929 1067872584 /nfs/dbraw/zinc/87/25/84/1067872584.db2.gz ZTZZEIMRMTVARC-XMMPIXPASA-N 0 0 452.576 4.682 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)ccc1Cl ZINC001461485695 1067872716 /nfs/dbraw/zinc/87/27/16/1067872716.db2.gz RJBKGJUWTPCAKP-HXUWFJFHSA-N 0 0 450.988 4.721 20 0 JJADRN Cc1c(F)c(Br)ccc1NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461485543 1067872733 /nfs/dbraw/zinc/87/27/33/1067872733.db2.gz MRVJILDGKQCFKR-HXUWFJFHSA-N 0 0 453.283 4.586 20 0 JJADRN CCCc1nc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)OC)nn1-c1ccccc1Cl ZINC001461488250 1067873511 /nfs/dbraw/zinc/87/35/11/1067873511.db2.gz HLXLDRPSWZPMPD-UHFFFAOYSA-N 0 0 451.285 4.705 20 0 JJADRN Cc1ccc(NCC2=Cc3cc(Cl)cc(Cl)c3OC2)c(C)c1S(=O)(=O)NC1CC1 ZINC001461489019 1067873647 /nfs/dbraw/zinc/87/36/47/1067873647.db2.gz CBBYFXUESNYGJW-UHFFFAOYSA-N 0 0 453.391 4.939 20 0 JJADRN COc1cc(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)cc(OC)c1OC ZINC001461490285 1067873968 /nfs/dbraw/zinc/87/39/68/1067873968.db2.gz CFCVBHOFRSQXBL-UHFFFAOYSA-N 0 0 454.335 4.719 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC001461490749 1067874066 /nfs/dbraw/zinc/87/40/66/1067874066.db2.gz MUOXNRWAHMSBJE-HNNXBMFYSA-N 0 0 452.502 4.580 20 0 JJADRN COC(=O)c1c(Cl)cc(F)cc1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001461489307 1067874115 /nfs/dbraw/zinc/87/41/15/1067874115.db2.gz RTYSUYHMVQLRBR-UHFFFAOYSA-N 0 0 453.651 4.936 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001461491389 1067874654 /nfs/dbraw/zinc/87/46/54/1067874654.db2.gz REVXZHRVBVYZKA-UHFFFAOYSA-N 0 0 458.624 4.626 20 0 JJADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001461493145 1067874960 /nfs/dbraw/zinc/87/49/60/1067874960.db2.gz XGDPUCDMWJLLKT-UHFFFAOYSA-N 0 0 458.486 4.545 20 0 JJADRN CC(=O)NCc1ccc(CNC(=O)c2ccccc2Oc2cccc(Br)c2)cc1 ZINC001461492998 1067875035 /nfs/dbraw/zinc/87/50/35/1067875035.db2.gz WJRRBQIDBXSVFX-UHFFFAOYSA-N 0 0 453.336 4.808 20 0 JJADRN COc1cc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc(C(F)(F)F)c1 ZINC001461494042 1067875428 /nfs/dbraw/zinc/87/54/28/1067875428.db2.gz KCYBGHUXWRKDDC-UHFFFAOYSA-N 0 0 458.502 4.509 20 0 JJADRN O=C(OCc1cnc(-c2ccccc2)nc1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001461493317 1067875494 /nfs/dbraw/zinc/87/54/94/1067875494.db2.gz DUHYXYISDOYJBD-OAQYLSRUSA-N 0 0 452.352 4.786 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c2ccccc2)cc1 ZINC001461495934 1067875980 /nfs/dbraw/zinc/87/59/80/1067875980.db2.gz NLZVBWXSJJXXBO-SANMLTNESA-N 0 0 459.473 4.886 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(CC(F)(F)F)cc1 ZINC001461495862 1067875999 /nfs/dbraw/zinc/87/59/99/1067875999.db2.gz SEQDNZDITOTFMI-UHFFFAOYSA-N 0 0 456.530 4.977 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461509474 1067878972 /nfs/dbraw/zinc/87/89/72/1067878972.db2.gz NBESRDVSBPHVEM-LEWJYISDSA-N 0 0 458.578 4.654 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC001461522872 1067880878 /nfs/dbraw/zinc/88/08/78/1067880878.db2.gz MURSKKIRJFCAHR-XOBRGWDASA-N 0 0 458.400 4.653 20 0 JJADRN O=C(NCCc1ccc(C2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001461526689 1067881260 /nfs/dbraw/zinc/88/12/60/1067881260.db2.gz AEIDVLZSLSXDEN-UHFFFAOYSA-N 0 0 454.636 4.881 20 0 JJADRN Cc1cc(=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461524999 1067881394 /nfs/dbraw/zinc/88/13/94/1067881394.db2.gz VXHGHVNSQHGYMY-UHFFFAOYSA-N 0 0 456.251 4.797 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001461527342 1067881700 /nfs/dbraw/zinc/88/17/00/1067881700.db2.gz HUTRLXDNFHKCJQ-UHFFFAOYSA-N 0 0 452.352 4.584 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)CSCc2ccc(Br)cc2)n1 ZINC001461535490 1067883674 /nfs/dbraw/zinc/88/36/74/1067883674.db2.gz JTBNCIXKHITVHE-UHFFFAOYSA-N 0 0 457.806 4.831 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NCc3c(C)nn(Cc4ccccc4)c3C)cc2F)ccn1 ZINC001461537433 1067884471 /nfs/dbraw/zinc/88/44/71/1067884471.db2.gz GGNGSWNIHVOPOH-UHFFFAOYSA-N 0 0 459.525 4.846 20 0 JJADRN C[C@H](NCc1ccc(F)cc1I)c1ccc(N2CCCCC2=O)cc1 ZINC001461541526 1067884888 /nfs/dbraw/zinc/88/48/88/1067884888.db2.gz SMJDRSTYXQKHSF-AWEZNQCLSA-N 0 0 452.311 4.798 20 0 JJADRN Fc1cc(Br)c(I)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC001461545774 1067885723 /nfs/dbraw/zinc/88/57/23/1067885723.db2.gz AZYHHZCPMPZDFE-NSHDSACASA-N 0 0 452.027 4.623 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(CNCc2cn3ccc(Br)cc3n2)cc1 ZINC001461546399 1067885849 /nfs/dbraw/zinc/88/58/49/1067885849.db2.gz GIFLEWUYDWPSCA-UHFFFAOYSA-N 0 0 450.336 4.744 20 0 JJADRN COc1cc(CCC(=O)Nc2ncc(F)cc2Br)ccc1OCC(F)(F)F ZINC001461547891 1067886100 /nfs/dbraw/zinc/88/61/00/1067886100.db2.gz DUQDACRBWFQQBA-UHFFFAOYSA-N 0 0 451.214 4.504 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Nc3ncccc3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461551680 1067886532 /nfs/dbraw/zinc/88/65/32/1067886532.db2.gz UBIWVOPVORVAFK-OAQYLSRUSA-N 0 0 451.350 4.890 20 0 JJADRN CCCc1nccnc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001461553211 1067886724 /nfs/dbraw/zinc/88/67/24/1067886724.db2.gz FFUWFPNTXFFAKC-UHFFFAOYSA-N 0 0 453.340 4.625 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCS[C@H]3C(F)(F)F)ccc21 ZINC001461551050 1067886737 /nfs/dbraw/zinc/88/67/37/1067886737.db2.gz JTSKMYIXMAOQKR-SFHVURJKSA-N 0 0 457.518 4.634 20 0 JJADRN O=S(=O)(c1cc(NCc2ccccc2OCc2cccnc2)ccc1Cl)N1CCCC1 ZINC001461557155 1067887493 /nfs/dbraw/zinc/88/74/93/1067887493.db2.gz ALRFXNSADIRMRU-UHFFFAOYSA-N 0 0 457.983 4.711 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NCc1c(F)ccc(C2OCCO2)c1Cl ZINC001461554998 1067887532 /nfs/dbraw/zinc/88/75/32/1067887532.db2.gz YLLPYNWWWQNSFV-UHFFFAOYSA-N 0 0 450.963 4.634 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)sc1-c1ccc(F)cc1 ZINC001461557394 1067887538 /nfs/dbraw/zinc/88/75/38/1067887538.db2.gz BQRKDYHCBCPENQ-WJOKGBTCSA-N 0 0 459.568 4.830 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccc(C(=O)NCCO)cc2)cc1C ZINC001461556720 1067887648 /nfs/dbraw/zinc/88/76/48/1067887648.db2.gz BHWJAEIIRQKSQT-UHFFFAOYSA-N 0 0 454.574 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NCc2cccc3ccoc32)CC1 ZINC001461557499 1067887691 /nfs/dbraw/zinc/88/76/91/1067887691.db2.gz DJDFBGQZBIHABK-UHFFFAOYSA-N 0 0 451.567 4.976 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2nccc(F)c2I)c1-c1ccccc1 ZINC001461560511 1067888486 /nfs/dbraw/zinc/88/84/86/1067888486.db2.gz WFOPAYBUSVSLEJ-UHFFFAOYSA-N 0 0 450.255 4.522 20 0 JJADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccc(C)cc2)CCCC1 ZINC001546125340 1067889820 /nfs/dbraw/zinc/88/98/20/1067889820.db2.gz BYXLIIMEJMRBQD-CTNGQTDRSA-N 0 0 459.660 4.509 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)cnc1C(F)(F)F ZINC001461572534 1067891386 /nfs/dbraw/zinc/89/13/86/1067891386.db2.gz ROXLZNMLZWAFDW-UHFFFAOYSA-N 0 0 453.461 4.907 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)c1cnn(-c3ccc(Br)cc3)c1C)CCC2 ZINC001461575020 1067891624 /nfs/dbraw/zinc/89/16/24/1067891624.db2.gz IQXSZGRVVPXWOS-UHFFFAOYSA-N 0 0 456.340 4.553 20 0 JJADRN CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccc(N2CCOCC2)cc1 ZINC001461575727 1067892072 /nfs/dbraw/zinc/89/20/72/1067892072.db2.gz ZFNARAAHIBLLJY-UHFFFAOYSA-N 0 0 456.011 4.820 20 0 JJADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001546125436 1067892207 /nfs/dbraw/zinc/89/22/07/1067892207.db2.gz DWMKTYKNNSTKME-XLIONFOSSA-N 0 0 482.547 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CSc2ccc(Br)cc2)C12CCC2 ZINC001461579617 1067892983 /nfs/dbraw/zinc/89/29/83/1067892983.db2.gz VDNQIFSSKPCHDN-INIZCTEOSA-N 0 0 455.418 4.590 20 0 JJADRN CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)n1 ZINC001461583169 1067893792 /nfs/dbraw/zinc/89/37/92/1067893792.db2.gz GYKDTDGGTHSIMS-UHFFFAOYSA-N 0 0 452.367 4.796 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)[C@H](C)C2 ZINC001461583174 1067894086 /nfs/dbraw/zinc/89/40/86/1067894086.db2.gz VWKCKNBSYMXLGS-FHJLPGHOSA-N 0 0 469.423 4.968 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC001461583970 1067894528 /nfs/dbraw/zinc/89/45/28/1067894528.db2.gz YXZMGASFBGSETF-CJAUYULYSA-N 0 0 465.571 4.825 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C12CCC2 ZINC001461596870 1067897330 /nfs/dbraw/zinc/89/73/30/1067897330.db2.gz KTLYRUIBLYFYID-IAGOWNOFSA-N 0 0 450.352 4.630 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001461596338 1067897381 /nfs/dbraw/zinc/89/73/81/1067897381.db2.gz IQWQEGFODQRKJK-AWEZNQCLSA-N 0 0 450.288 4.896 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)CC2 ZINC001461600427 1067898968 /nfs/dbraw/zinc/89/89/68/1067898968.db2.gz LDNLGVOQLDIQFP-HSZRJFAPSA-N 0 0 455.432 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001461607587 1067900853 /nfs/dbraw/zinc/90/08/53/1067900853.db2.gz MYFFIFCMZHEHBT-YVEFUNNKSA-N 0 0 455.502 4.546 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)c1 ZINC001461610281 1067901150 /nfs/dbraw/zinc/90/11/50/1067901150.db2.gz SNNWOASBWQDRGZ-GOSISDBHSA-N 0 0 453.295 4.731 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3cnc(CNC(=O)OC(C)(C)C)s3)nc2)c1 ZINC001461611768 1067901571 /nfs/dbraw/zinc/90/15/71/1067901571.db2.gz LQXBNMOQVYRUNW-UHFFFAOYSA-N 0 0 455.540 4.567 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CCCC1 ZINC001546125704 1067901580 /nfs/dbraw/zinc/90/15/80/1067901580.db2.gz JRRBFCMWMJWTDA-HFZDXXHNSA-N 0 0 467.658 4.968 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001461611425 1067901627 /nfs/dbraw/zinc/90/16/27/1067901627.db2.gz COEJYVRGPFELRM-OAQYLSRUSA-N 0 0 452.551 4.810 20 0 JJADRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001461611424 1067901633 /nfs/dbraw/zinc/90/16/33/1067901633.db2.gz COEJYVRGPFELRM-NRFANRHFSA-N 0 0 452.551 4.810 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 ZINC001546125739 1067902543 /nfs/dbraw/zinc/90/25/43/1067902543.db2.gz KEHSNUBVKWTEAD-QZTJIDSGSA-N 0 0 460.022 4.744 20 0 JJADRN CN(C(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1nc2cc(Br)ccc2s1 ZINC001461621685 1067903346 /nfs/dbraw/zinc/90/33/46/1067903346.db2.gz HTMXZTNKCPRYKD-UHFFFAOYSA-N 0 0 459.291 4.887 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001461624228 1067904083 /nfs/dbraw/zinc/90/40/83/1067904083.db2.gz ABKOJBFHNFSOHO-UHFFFAOYSA-N 0 0 452.295 4.842 20 0 JJADRN COc1cccc(COCC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)c1 ZINC001461625011 1067904183 /nfs/dbraw/zinc/90/41/83/1067904183.db2.gz BBVKFNMWNRDTDA-UHFFFAOYSA-N 0 0 452.198 4.651 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1=O ZINC001461626726 1067904406 /nfs/dbraw/zinc/90/44/06/1067904406.db2.gz GJBMXDQPWNGTHW-OAHLLOKOSA-N 0 0 457.368 4.525 20 0 JJADRN CCOc1ccccc1OCC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001461628674 1067905213 /nfs/dbraw/zinc/90/52/13/1067905213.db2.gz NSFYUXUYOZFTKS-UHFFFAOYSA-N 0 0 452.198 4.903 20 0 JJADRN Fc1ccc(Cn2cc(CNCc3cc(Cl)ccc3I)cn2)cc1 ZINC001461628887 1067905230 /nfs/dbraw/zinc/90/52/30/1067905230.db2.gz IFFONNYTZNTJHH-UHFFFAOYSA-N 0 0 455.702 4.618 20 0 JJADRN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNc1cccc(CN2CCCS2(=O)=O)c1 ZINC001461630205 1067905638 /nfs/dbraw/zinc/90/56/38/1067905638.db2.gz PQCIXMNCJGMCET-UHFFFAOYSA-N 0 0 459.015 4.797 20 0 JJADRN CC1(C)CN(C(=O)C2(c3cncc(Br)c3)CC2)c2cc(Br)ccc21 ZINC001461632916 1067906047 /nfs/dbraw/zinc/90/60/47/1067906047.db2.gz WIUZYUIYECNMBX-UHFFFAOYSA-N 0 0 450.174 4.963 20 0 JJADRN CC(C)(C)n1cccc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)c1=O ZINC001461631808 1067906071 /nfs/dbraw/zinc/90/60/71/1067906071.db2.gz XIVCACRMEACPGR-UHFFFAOYSA-N 0 0 451.214 4.656 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1 ZINC001461636536 1067906952 /nfs/dbraw/zinc/90/69/52/1067906952.db2.gz GXSOIGUJPPNVLO-PUZFROQSSA-N 0 0 453.539 4.701 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1Cl ZINC001461639594 1067907637 /nfs/dbraw/zinc/90/76/37/1067907637.db2.gz QHBNWYJRQOOBJR-AWEZNQCLSA-N 0 0 459.333 4.548 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001546125984 1067909799 /nfs/dbraw/zinc/90/97/99/1067909799.db2.gz OVTPVXCUPMPYNA-KKXNLOMOSA-N 0 0 457.594 4.631 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001546125985 1067909821 /nfs/dbraw/zinc/90/98/21/1067909821.db2.gz OVTPVXCUPMPYNA-QHGAOEGBSA-N 0 0 457.594 4.631 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461651959 1067910094 /nfs/dbraw/zinc/91/00/94/1067910094.db2.gz MDFUBFDWUBZHAA-APWZRJJASA-N 0 0 457.596 4.766 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461650843 1067910162 /nfs/dbraw/zinc/91/01/62/1067910162.db2.gz HBEIPXIHXIPUTE-HUUCEWRRSA-N 0 0 460.484 4.523 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccnc(OCC(F)(F)F)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461652684 1067910324 /nfs/dbraw/zinc/91/03/24/1067910324.db2.gz SGWVPVRMPLDKMR-NVXWUHKLSA-N 0 0 459.509 4.568 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)c2)no1 ZINC001461652454 1067910523 /nfs/dbraw/zinc/91/05/23/1067910523.db2.gz QBONJBBZPWYLOD-DYESRHJHSA-N 0 0 472.586 4.503 20 0 JJADRN Cc1cc(Br)c(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)s1 ZINC001461653611 1067910869 /nfs/dbraw/zinc/91/08/69/1067910869.db2.gz GVTQPZHXLMGZBV-QGZVFWFLSA-N 0 0 453.402 4.776 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001461653270 1067910968 /nfs/dbraw/zinc/91/09/68/1067910968.db2.gz CXFNUIYJAUTSTI-NTKUZGJZSA-N 0 0 453.583 4.941 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CCN1C(=O)OC(C)(C)C ZINC001461658776 1067912106 /nfs/dbraw/zinc/91/21/06/1067912106.db2.gz MLMKTFTVJRJTBX-FUHWJXTLSA-N 0 0 450.004 4.905 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001461659552 1067912115 /nfs/dbraw/zinc/91/21/15/1067912115.db2.gz UOYKDWUHBRINDR-FQEVSTJZSA-N 0 0 452.599 4.562 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1 ZINC001461659488 1067912127 /nfs/dbraw/zinc/91/21/27/1067912127.db2.gz TYHKHBBMROQZMR-GFCCVEGCSA-N 0 0 457.340 4.585 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)CCCC1 ZINC001546126102 1067913420 /nfs/dbraw/zinc/91/34/20/1067913420.db2.gz QVZWBWGWCSGJKV-IBGZPJMESA-N 0 0 492.661 4.931 20 0 JJADRN Cn1cc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c(-c2ccco2)n1 ZINC001461667412 1067914278 /nfs/dbraw/zinc/91/42/78/1067914278.db2.gz JWWWNKDCEBCUHB-SFHVURJKSA-N 0 0 450.539 4.877 20 0 JJADRN COCCNS(=O)(=O)c1cccc(NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC001461667264 1067914305 /nfs/dbraw/zinc/91/43/05/1067914305.db2.gz BJNZWCVLPXKYLN-UHFFFAOYSA-N 0 0 455.363 4.790 20 0 JJADRN CC(=O)Nc1ccc(CNc2cc(Br)cc(I)c2C)cc1 ZINC001461669381 1067914734 /nfs/dbraw/zinc/91/47/34/1067914734.db2.gz PELIPGVYGLNKOJ-UHFFFAOYSA-N 0 0 459.125 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3ccccc3)ccc1Cl)O2 ZINC001461672506 1067915116 /nfs/dbraw/zinc/91/51/16/1067915116.db2.gz VQGVBNUGXSQIHD-IBGZPJMESA-N 0 0 456.970 4.905 20 0 JJADRN Cc1cc(Br)c(CNC(=O)COc2ccc(Cl)cc2Br)s1 ZINC001461673472 1067915417 /nfs/dbraw/zinc/91/54/17/1067915417.db2.gz RPNGJVIBEWHOIY-UHFFFAOYSA-N 0 0 453.583 4.930 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676348 1067915807 /nfs/dbraw/zinc/91/58/07/1067915807.db2.gz DXQAIIJQQMCRFF-GOSISDBHSA-N 0 0 459.377 4.500 20 0 JJADRN COc1c(C)cc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001461677940 1067916322 /nfs/dbraw/zinc/91/63/22/1067916322.db2.gz KIQKNOHATWQSIY-CQSZACIVSA-N 0 0 452.885 4.749 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461681357 1067917520 /nfs/dbraw/zinc/91/75/20/1067917520.db2.gz AWKIVRIHNQJMAQ-YLJYHZDGSA-N 0 0 457.571 4.751 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)cc2c1OCCO2 ZINC001461683628 1067917758 /nfs/dbraw/zinc/91/77/58/1067917758.db2.gz ZXLXORQUGNFNOF-OAHLLOKOSA-N 0 0 450.354 4.586 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc(I)c(F)c1 ZINC001461687216 1067918288 /nfs/dbraw/zinc/91/82/88/1067918288.db2.gz UPPXFWNYSPMHTL-APPDUMDISA-N 0 0 459.686 4.686 20 0 JJADRN Cc1ncccc1[C@@H](C)OC(=O)c1cc(I)ccc1N1CCCCC1 ZINC001461686477 1067918331 /nfs/dbraw/zinc/91/83/31/1067918331.db2.gz BKYWFHLQEIWZRF-OAHLLOKOSA-N 0 0 450.320 4.903 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001461688544 1067918589 /nfs/dbraw/zinc/91/85/89/1067918589.db2.gz WZVTWADGHSWFOO-KPZWWZAWSA-N 0 0 471.722 4.555 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)c2c1C ZINC001461688551 1067918619 /nfs/dbraw/zinc/91/86/19/1067918619.db2.gz WBMOZOKEEPVTDE-RTBURBONSA-N 0 0 468.648 4.566 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CCOCC1 ZINC001546126304 1067918701 /nfs/dbraw/zinc/91/87/01/1067918701.db2.gz UVLGJAJSWZUOQB-RBUKOAKNSA-N 0 0 492.064 4.595 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001461692359 1067919614 /nfs/dbraw/zinc/91/96/14/1067919614.db2.gz TZBFEGWOSCUBBB-NNWRFLSQSA-N 0 0 452.551 4.958 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001461692351 1067919659 /nfs/dbraw/zinc/91/96/59/1067919659.db2.gz TZBFEGWOSCUBBB-BVSLBCMMSA-N 0 0 452.551 4.958 20 0 JJADRN CC1CCC(N2C[C@H](C(=O)N[C@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)CC2=O)CC1 ZINC001461695160 1067919893 /nfs/dbraw/zinc/91/98/93/1067919893.db2.gz ZTNFGOUXJJBBLU-PLASIRJYSA-N 0 0 455.599 4.564 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1OCC ZINC001461697997 1067920839 /nfs/dbraw/zinc/92/08/39/1067920839.db2.gz FEPRAVCRCVYOGJ-IAGOWNOFSA-N 0 0 458.958 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCCCc2ccc(Br)cc2)CC[C@H]1F ZINC001461700827 1067921615 /nfs/dbraw/zinc/92/16/15/1067921615.db2.gz YPGYBSQIJVKNEM-QZTJIDSGSA-N 0 0 457.384 4.626 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1 ZINC001461709482 1067923262 /nfs/dbraw/zinc/92/32/62/1067923262.db2.gz ACWLWRYHFVZDLB-SIKLNZKXSA-N 0 0 455.396 4.690 20 0 JJADRN COc1ccc(F)c(CNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC001461713720 1067923616 /nfs/dbraw/zinc/92/36/16/1067923616.db2.gz HSBLZEUIXHOSHH-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN CCN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461715050 1067923678 /nfs/dbraw/zinc/92/36/78/1067923678.db2.gz CPUQTIBYWINBGX-CQSZACIVSA-N 0 0 453.892 4.982 20 0 JJADRN CCN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461715038 1067923690 /nfs/dbraw/zinc/92/36/90/1067923690.db2.gz CPUQTIBYWINBGX-AWEZNQCLSA-N 0 0 453.892 4.982 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC001461714376 1067923737 /nfs/dbraw/zinc/92/37/37/1067923737.db2.gz CRCUDGJPZNODKE-LJQANCHMSA-N 0 0 454.368 4.671 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1F ZINC001461716148 1067923973 /nfs/dbraw/zinc/92/39/73/1067923973.db2.gz OATMRBMSPGXQDG-KKSFZXQISA-N 0 0 459.359 4.833 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC001461718356 1067924876 /nfs/dbraw/zinc/92/48/76/1067924876.db2.gz HIYWKLYAIPAVEG-OAQYLSRUSA-N 0 0 452.908 4.986 20 0 JJADRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001461719724 1067924887 /nfs/dbraw/zinc/92/48/87/1067924887.db2.gz SWWRXSMMNJXEJX-REWPJTCUSA-N 0 0 461.027 4.712 20 0 JJADRN CN(CCC(=O)N[C@H]1CCCCc2cc(Br)ccc21)C(=O)OCc1ccccc1 ZINC001461718808 1067924890 /nfs/dbraw/zinc/92/48/90/1067924890.db2.gz RGHQMFKPIFRKLC-NRFANRHFSA-N 0 0 459.384 4.992 20 0 JJADRN COc1cccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c1C ZINC001461720438 1067925260 /nfs/dbraw/zinc/92/52/60/1067925260.db2.gz RCXSGSMJVNDCEG-UHFFFAOYSA-N 0 0 450.103 4.845 20 0 JJADRN COc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1OC(F)F ZINC001461722648 1067925479 /nfs/dbraw/zinc/92/54/79/1067925479.db2.gz WRGVGPBQNGITCL-UHFFFAOYSA-N 0 0 450.445 4.856 20 0 JJADRN COCCN(CC(=O)N1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001461728342 1067927036 /nfs/dbraw/zinc/92/70/36/1067927036.db2.gz YHASWPODIIXDLM-QFIPXVFZSA-N 0 0 458.521 4.513 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)s2)cc1 ZINC001461735637 1067927314 /nfs/dbraw/zinc/92/73/14/1067927314.db2.gz MBDNIPJFZXATJJ-XMMPIXPASA-N 0 0 459.612 4.901 20 0 JJADRN COCCC[C@@H](C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461739197 1067928179 /nfs/dbraw/zinc/92/81/79/1067928179.db2.gz APOIFRZGJGXVRI-OAQYLSRUSA-N 0 0 450.579 4.766 20 0 JJADRN Cc1cccc2c1C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)CO2 ZINC001461740725 1067928471 /nfs/dbraw/zinc/92/84/71/1067928471.db2.gz CLPHSINKHFKNFZ-CEXJFXJFSA-N 0 0 458.961 4.596 20 0 JJADRN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCn2ncc(Br)c2C1 ZINC001461740506 1067928483 /nfs/dbraw/zinc/92/84/83/1067928483.db2.gz SMLSKKMYBGNSNV-UHFFFAOYSA-N 0 0 458.168 4.732 20 0 JJADRN CC(C)Sc1cccc(Cl)c1CNc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC001461740591 1067928491 /nfs/dbraw/zinc/92/84/91/1067928491.db2.gz CBQLPKLGELXHPZ-QGZVFWFLSA-N 0 0 455.045 4.598 20 0 JJADRN C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC001461742536 1067929155 /nfs/dbraw/zinc/92/91/55/1067929155.db2.gz FMGZBMCWEMVZGB-SANMLTNESA-N 0 0 451.588 4.636 20 0 JJADRN O=S(=O)(c1ccc(NCc2cnn(Cc3ccccc3)c2Cl)cc1)N1CCCCCC1 ZINC001461746366 1067929531 /nfs/dbraw/zinc/92/95/31/1067929531.db2.gz PWYJKAPDTJYRRF-UHFFFAOYSA-N 0 0 459.015 4.762 20 0 JJADRN CC1(C)CCC[C@@H]1CCNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC001461746702 1067929780 /nfs/dbraw/zinc/92/97/80/1067929780.db2.gz NQOQQENPKVHZLD-GFCCVEGCSA-N 0 0 454.390 4.626 20 0 JJADRN COc1cccc([C@@H](CNC(=O)CCc2ncc(-c3ccccc3Br)o2)OC)c1 ZINC001461747991 1067929802 /nfs/dbraw/zinc/92/98/02/1067929802.db2.gz RKZFYPYPCHSCMV-LJQANCHMSA-N 0 0 459.340 4.549 20 0 JJADRN Cn1c2ccccc2c(Br)c1CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001461747768 1067929855 /nfs/dbraw/zinc/92/98/55/1067929855.db2.gz XCAGQDHOLAJQNI-UHFFFAOYSA-N 0 0 450.402 4.630 20 0 JJADRN COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccc(-c3cccc(Cl)c3)s2)cc1 ZINC001461747714 1067929878 /nfs/dbraw/zinc/92/98/78/1067929878.db2.gz XNGJUJXTCWXKGM-HNNXBMFYSA-N 0 0 451.013 4.994 20 0 JJADRN Cc1ccc(SCc2cccc(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)c2)c(C)c1 ZINC001461753511 1067930598 /nfs/dbraw/zinc/93/05/98/1067930598.db2.gz YKCURAYHDYJDBS-HSZRJFAPSA-N 0 0 451.613 4.995 20 0 JJADRN COCc1ccc(CNc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)cc1 ZINC001461754354 1067930929 /nfs/dbraw/zinc/93/09/29/1067930929.db2.gz MNGVWGHEDOVOOE-UHFFFAOYSA-N 0 0 455.352 4.886 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)N(CCC1CC1)CC1CC1 ZINC001461755214 1067931011 /nfs/dbraw/zinc/93/10/11/1067931011.db2.gz LFMPJHNHSHCKER-UHFFFAOYSA-N 0 0 450.963 4.932 20 0 JJADRN Fc1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1I ZINC001461755834 1067931360 /nfs/dbraw/zinc/93/13/60/1067931360.db2.gz OFWYAAFNUZKZRU-NVXWUHKLSA-N 0 0 478.271 4.583 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1F ZINC001461758279 1067931889 /nfs/dbraw/zinc/93/18/89/1067931889.db2.gz XWRVVFPKIRWQJG-HNNXBMFYSA-N 0 0 459.153 4.867 20 0 JJADRN COCCOCc1ccc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 ZINC001461765617 1067932752 /nfs/dbraw/zinc/93/27/52/1067932752.db2.gz IFXGIDKQXJFTFB-FQEVSTJZSA-N 0 0 450.398 4.619 20 0 JJADRN COc1cc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c(Cl)cc1Br ZINC001461771389 1067933851 /nfs/dbraw/zinc/93/38/51/1067933851.db2.gz ZGDYSQKEJYWMBR-UHFFFAOYSA-N 0 0 451.752 4.650 20 0 JJADRN Cc1cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)ccc1NC(=O)OC(C)(C)C ZINC001461772883 1067934523 /nfs/dbraw/zinc/93/45/23/1067934523.db2.gz ZEUYRLLWLHWYIY-UHFFFAOYSA-N 0 0 450.539 4.960 20 0 JJADRN CCOc1cc(CNc2nncn2Cc2ccccc2)cc(Br)c1OC(F)F ZINC001461774995 1067934882 /nfs/dbraw/zinc/93/48/82/1067934882.db2.gz MZMWJCJLOAJVEB-UHFFFAOYSA-N 0 0 453.287 4.701 20 0 JJADRN Cc1sc2ncnc(N3CCC(C(=O)N(C)c4ccccc4Br)CC3)c2c1C ZINC001461778439 1067935619 /nfs/dbraw/zinc/93/56/19/1067935619.db2.gz LEGQIZNIBWCMTJ-UHFFFAOYSA-N 0 0 459.413 4.950 20 0 JJADRN Cc1cc(OCCCC(=O)NCCc2ccc(I)cc2)ccc1Cl ZINC001461783507 1067936569 /nfs/dbraw/zinc/93/65/69/1067936569.db2.gz AHVPJSSKZBMUFN-UHFFFAOYSA-N 0 0 457.739 4.771 20 0 JJADRN Fc1cncc(Br)c1CNCc1ccc(Br)c(Br)c1 ZINC001461784619 1067936892 /nfs/dbraw/zinc/93/68/92/1067936892.db2.gz AMTFFTVZFRJVNY-UHFFFAOYSA-N 0 0 452.947 4.798 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2NC(=O)c2ccnc(-n3cncn3)c2)cc1 ZINC001461790398 1067937561 /nfs/dbraw/zinc/93/75/61/1067937561.db2.gz XPHCPYJISIEGNA-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN COCCOCCOc1ccc(NCc2ccc3c(c2)CC(C)(C)O3)cc1Br ZINC001461788948 1067937644 /nfs/dbraw/zinc/93/76/44/1067937644.db2.gz HFXTTZSCFZZENX-UHFFFAOYSA-N 0 0 450.373 4.817 20 0 JJADRN CCOc1cc(CNc2ccc(S(=O)(=O)N(C)C)c(C)c2)ccc1OCc1ccccc1 ZINC001461794136 1067938261 /nfs/dbraw/zinc/93/82/61/1067938261.db2.gz WBRZEYPQZLMMLS-UHFFFAOYSA-N 0 0 454.592 4.835 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC001461797352 1067938587 /nfs/dbraw/zinc/93/85/87/1067938587.db2.gz IUVPIQWDKHJCNM-UHFFFAOYSA-N 0 0 458.580 4.543 20 0 JJADRN O=C(Oc1cccc(C(=O)N2CCOCC2)c1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001461796353 1067938661 /nfs/dbraw/zinc/93/86/61/1067938661.db2.gz XEWQJXXKTMGGIJ-QHCPKHFHSA-N 0 0 451.906 4.538 20 0 JJADRN O=C(CNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)OCc1ccc(Cl)cc1 ZINC001546127173 1067939062 /nfs/dbraw/zinc/93/90/62/1067939062.db2.gz ODZPVGKKYJFBSF-OAQYLSRUSA-N 0 0 453.341 4.519 20 0 JJADRN COc1ccc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1-c1ccccc1 ZINC001461804884 1067939733 /nfs/dbraw/zinc/93/97/33/1067939733.db2.gz NHOPBUCQFZWXTD-LJQANCHMSA-N 0 0 452.473 4.890 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461803691 1067939833 /nfs/dbraw/zinc/93/98/33/1067939833.db2.gz IPHTYPBHWKXIOG-QGZVFWFLSA-N 0 0 454.493 4.523 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805348 1067940176 /nfs/dbraw/zinc/94/01/76/1067940176.db2.gz PPJDWJHUEPZQIQ-IBGZPJMESA-N 0 0 451.489 4.982 20 0 JJADRN COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001461807059 1067940193 /nfs/dbraw/zinc/94/01/93/1067940193.db2.gz BDJYWBHEGJAIBI-UHFFFAOYSA-N 0 0 458.727 4.546 20 0 JJADRN COc1ccc(OC)c(CN[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809563 1067940498 /nfs/dbraw/zinc/94/04/98/1067940498.db2.gz GRZLHMRSBJGQJP-QFQXNSOFSA-N 0 0 454.567 4.697 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCCc1nsc2ccccc21 ZINC001461811241 1067940918 /nfs/dbraw/zinc/94/09/18/1067940918.db2.gz CRRSKPWFSGANLY-DGDFFNOKSA-N 0 0 453.995 4.703 20 0 JJADRN COc1ccc(OCc2nc(CN[C@H](c3nccn3C)c3ccc(F)c(F)c3)cs2)cc1 ZINC001461814382 1067941323 /nfs/dbraw/zinc/94/13/23/1067941323.db2.gz OYCXMGZKRQGHHS-QFIPXVFZSA-N 0 0 456.518 4.622 20 0 JJADRN CO[C@@H](CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)C1CCCCC1 ZINC001461819410 1067941688 /nfs/dbraw/zinc/94/16/88/1067941688.db2.gz VNSQRNKPLBAHCE-NRFANRHFSA-N 0 0 453.608 4.535 20 0 JJADRN CCOc1cc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461825321 1067942345 /nfs/dbraw/zinc/94/23/45/1067942345.db2.gz YMROUFZZHPILFP-MHZLTWQESA-N 0 0 450.579 4.532 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)o1)Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461824429 1067942599 /nfs/dbraw/zinc/94/25/99/1067942599.db2.gz AWXFIOJVCVMUJV-UHFFFAOYSA-N 0 0 455.923 4.727 20 0 JJADRN O=C(OC1CCC(F)(F)CC1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001461827864 1067942776 /nfs/dbraw/zinc/94/27/76/1067942776.db2.gz SNEVLAKYOSUONU-UHFFFAOYSA-N 0 0 454.193 4.783 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001461830270 1067943179 /nfs/dbraw/zinc/94/31/79/1067943179.db2.gz YGAKWYLDWXEMEI-NSHDSACASA-N 0 0 456.376 4.669 20 0 JJADRN COc1cccc([C@H](OC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)C(F)(F)F)n1 ZINC001461830108 1067943350 /nfs/dbraw/zinc/94/33/50/1067943350.db2.gz KJUYIMIBKFMXDY-NRFANRHFSA-N 0 0 458.436 4.789 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2scc(C)c2I)C(F)(F)F)n1 ZINC001461832527 1067943714 /nfs/dbraw/zinc/94/37/14/1067943714.db2.gz RYZHEEMEHWMWLP-GFCCVEGCSA-N 0 0 457.211 4.525 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3c(C(F)(F)F)cnn3C)c3cnn(C(C)C)c3n2)cc1 ZINC001461832207 1067943723 /nfs/dbraw/zinc/94/37/23/1067943723.db2.gz GEVAJEUGEJOYEZ-UHFFFAOYSA-N 0 0 456.472 4.670 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC(C)C)no1 ZINC001461840396 1067944958 /nfs/dbraw/zinc/94/49/58/1067944958.db2.gz XGUGIXBVIYQYNW-OAHLLOKOSA-N 0 0 457.518 4.747 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(Cl)cc1Br)C2 ZINC001461841859 1067945333 /nfs/dbraw/zinc/94/53/33/1067945333.db2.gz OGHWLFAOICSTLB-XOBRGWDASA-N 0 0 457.796 4.551 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461842142 1067945359 /nfs/dbraw/zinc/94/53/59/1067945359.db2.gz DYSPDLCWDJLHFF-UHFFFAOYSA-N 0 0 453.743 4.723 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc(Br)cc(Br)c2)c1 ZINC001461846926 1067945745 /nfs/dbraw/zinc/94/57/45/1067945745.db2.gz WIKIMAULTTWRHS-ZBFHGGJFSA-N 0 0 455.146 4.971 20 0 JJADRN Cc1cc(C)c(/C=C/CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1 ZINC001461857538 1067948797 /nfs/dbraw/zinc/94/87/97/1067948797.db2.gz KDHHDLANNYQCHF-SNAWJCMRSA-N 0 0 453.435 4.938 20 0 JJADRN C[C@@H]1C[C@@H](OC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC(C)(C)C1 ZINC001461859103 1067948808 /nfs/dbraw/zinc/94/88/08/1067948808.db2.gz OANJKXUIXUILHE-HHXXYDBFSA-N 0 0 459.446 4.801 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1 ZINC001461858300 1067948864 /nfs/dbraw/zinc/94/88/64/1067948864.db2.gz LVPCFRVDZNQONE-UHFFFAOYSA-N 0 0 450.543 4.839 20 0 JJADRN CC[C@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860501 1067949090 /nfs/dbraw/zinc/94/90/90/1067949090.db2.gz COHKCXISJKSHMR-WMLDXEAASA-N 0 0 454.402 4.699 20 0 JJADRN Cc1cccc(NC[C@@H]2CCCN2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865142 1067950396 /nfs/dbraw/zinc/95/03/96/1067950396.db2.gz CRUQLAHEHZPGBL-HNNXBMFYSA-N 0 0 454.210 4.574 20 0 JJADRN COC[C@@H](C)Oc1ccc(COC(=O)c2ccc(Br)cc2Br)cc1 ZINC001461867022 1067950478 /nfs/dbraw/zinc/95/04/78/1067950478.db2.gz JQKHEQFPVFWNTJ-GFCCVEGCSA-N 0 0 458.146 4.982 20 0 JJADRN CSc1ccccc1NC(=O)CN(C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC001461867286 1067950579 /nfs/dbraw/zinc/95/05/79/1067950579.db2.gz HNFDZFCDDXIYOS-UHFFFAOYSA-N 0 0 459.413 4.736 20 0 JJADRN Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001461867841 1067950785 /nfs/dbraw/zinc/95/07/85/1067950785.db2.gz GMZYRMDFMWRHNR-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2nc(C)ncc2Br)c1 ZINC001546127483 1067950856 /nfs/dbraw/zinc/95/08/56/1067950856.db2.gz VSUGURCLPSRHIJ-UGKGYDQZSA-N 0 0 452.352 4.927 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)Nc1cccnc1C(=O)c1ccc(F)cc1 ZINC001461868794 1067950901 /nfs/dbraw/zinc/95/09/01/1067950901.db2.gz AFDRPICPGQCJML-UHFFFAOYSA-N 0 0 452.283 4.877 20 0 JJADRN COc1ccc(NC(=O)c2cc(I)cc(C)c2C)c(C(F)(F)F)n1 ZINC001461869586 1067951012 /nfs/dbraw/zinc/95/10/12/1067951012.db2.gz QJTVCYHKHYHVBP-UHFFFAOYSA-N 0 0 450.198 4.583 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@H]1C ZINC001461871304 1067951207 /nfs/dbraw/zinc/95/12/07/1067951207.db2.gz VUKMLWUBHOFASC-IPYPFGDCSA-N 0 0 455.386 4.795 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3[C@@H](C)[C@H](C)CC[C@H]3CNC(=O)OC(C)(C)C)c2)n1 ZINC001461877445 1067952917 /nfs/dbraw/zinc/95/29/17/1067952917.db2.gz MJLBAAYEBURRST-MONBJTKQSA-N 0 0 454.615 4.702 20 0 JJADRN COc1cc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c2ccccc2n1 ZINC001461878379 1067952982 /nfs/dbraw/zinc/95/29/82/1067952982.db2.gz QBVOKFPEIGTKLG-ZDUSSCGKSA-N 0 0 454.577 4.831 20 0 JJADRN COc1ccc(Br)c(C(=O)N2[C@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461878296 1067952987 /nfs/dbraw/zinc/95/29/87/1067952987.db2.gz QXRDJADASBXZDQ-KFWWJZLASA-N 0 0 455.393 4.612 20 0 JJADRN Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001461876783 1067952995 /nfs/dbraw/zinc/95/29/95/1067952995.db2.gz YRSZQWMXNACNHO-MRXNPFEDSA-N 0 0 452.580 4.810 20 0 JJADRN COc1c(Br)cccc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001461877719 1067953000 /nfs/dbraw/zinc/95/30/00/1067953000.db2.gz UYDBTAADFWTJDH-UHFFFAOYSA-N 0 0 458.183 4.723 20 0 JJADRN COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(OC)c(O)c3Br)n2)c1 ZINC001461883125 1067954177 /nfs/dbraw/zinc/95/41/77/1067954177.db2.gz SPJZDBKSDIVQIU-GOSISDBHSA-N 0 0 458.356 4.899 20 0 JJADRN COc1cc(Br)ccc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC001461884763 1067954521 /nfs/dbraw/zinc/95/45/21/1067954521.db2.gz WZBQPMGSUBOZLH-UHFFFAOYSA-N 0 0 455.287 4.826 20 0 JJADRN COC(=O)c1ccc(CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890018 1067955361 /nfs/dbraw/zinc/95/53/61/1067955361.db2.gz UGEZLJYULZKZRA-SFHVURJKSA-N 0 0 457.409 4.607 20 0 JJADRN CCOc1cc(CN2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890116 1067955426 /nfs/dbraw/zinc/95/54/26/1067955426.db2.gz YBJVUUAYWDTALO-WMLDXEAASA-N 0 0 457.409 4.821 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCC2([C@@H]3CCCCO3)CCC2)[C@H]1c1ccc(OC)cc1 ZINC001461891005 1067955876 /nfs/dbraw/zinc/95/58/76/1067955876.db2.gz YLBWBEJOCQQFHZ-SONWIMMPSA-N 0 0 456.627 4.631 20 0 JJADRN COc1ccc(OC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1C(F)(F)F ZINC001461897043 1067956581 /nfs/dbraw/zinc/95/65/81/1067956581.db2.gz HDRCRSUDYWYWGC-UHFFFAOYSA-N 0 0 459.346 4.900 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461901254 1067957625 /nfs/dbraw/zinc/95/76/25/1067957625.db2.gz DAPAKMJTGBXXCX-NTSGDEEZSA-N 0 0 450.982 4.631 20 0 JJADRN O=C(c1c(F)cccc1F)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC001461912392 1067960251 /nfs/dbraw/zinc/96/02/51/1067960251.db2.gz RNXLIIUDOJGWGA-UHFFFAOYSA-N 0 0 458.455 4.780 20 0 JJADRN CCOc1cc(CN2CCOC[C@H]2c2ccccc2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461916284 1067960521 /nfs/dbraw/zinc/96/05/21/1067960521.db2.gz WVDIATIVNUCJRC-QFIPXVFZSA-N 0 0 451.519 4.617 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCN(c4cccc(Cl)c4)CC3)cs2)cc1 ZINC001461921312 1067961469 /nfs/dbraw/zinc/96/14/69/1067961469.db2.gz HRXPNPQHRNOIAF-UHFFFAOYSA-N 0 0 456.999 4.812 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC001461926572 1067962234 /nfs/dbraw/zinc/96/22/34/1067962234.db2.gz JVKRIHRQOWBRJX-XYWHTSSQSA-N 0 0 452.601 4.565 20 0 JJADRN COc1cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1OCC(F)F ZINC001461926294 1067962244 /nfs/dbraw/zinc/96/22/44/1067962244.db2.gz JUOOYFCJODTGQL-LJQANCHMSA-N 0 0 459.436 4.523 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(Cc3c(F)cc(Br)cc3F)CC2)cc1F ZINC001461926216 1067962401 /nfs/dbraw/zinc/96/24/01/1067962401.db2.gz ISZJROVBWWBSTN-UHFFFAOYSA-N 0 0 455.318 4.703 20 0 JJADRN NC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929679 1067962955 /nfs/dbraw/zinc/96/29/55/1067962955.db2.gz XSJFGRDTEPAZPD-CYBMUJFWSA-N 0 0 459.171 4.791 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)cc1 ZINC001461932569 1067963570 /nfs/dbraw/zinc/96/35/70/1067963570.db2.gz IXZHJVAAYMPABM-SANMLTNESA-N 0 0 456.652 4.582 20 0 JJADRN O=C(Oc1cccc(OC(F)(F)F)c1Br)C1CCN(CC(F)(F)F)CC1 ZINC001461933351 1067963643 /nfs/dbraw/zinc/96/36/43/1067963643.db2.gz HGNUWJLMKAILOC-UHFFFAOYSA-N 0 0 450.173 4.527 20 0 JJADRN Cc1cc(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001461933959 1067964109 /nfs/dbraw/zinc/96/41/09/1067964109.db2.gz FZOYPUBBQFIOTG-AFARHQOCSA-N 0 0 452.620 4.748 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)nnn1-c1cccc(Br)c1 ZINC001461937966 1067964505 /nfs/dbraw/zinc/96/45/05/1067964505.db2.gz PFLVIEYTBGVZLQ-QHCPKHFHSA-N 0 0 453.384 4.884 20 0 JJADRN O=C(Cc1ccc2c(c1)OC(F)(F)O2)Oc1cccc(OC(F)(F)F)c1Br ZINC001461939554 1067964827 /nfs/dbraw/zinc/96/48/27/1067964827.db2.gz VJOILFFSBAQJMB-UHFFFAOYSA-N 0 0 455.129 4.817 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCO[C@@H](c4ccc(OC)cc4)C3)CC2(Cl)Cl)cc1 ZINC001461939508 1067964838 /nfs/dbraw/zinc/96/48/38/1067964838.db2.gz UOJIETMSESRFGG-IFMALSPDSA-N 0 0 450.362 4.509 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCO[C@H](c4ccc(OC)cc4)C3)CC2(Cl)Cl)cc1 ZINC001461939513 1067964856 /nfs/dbraw/zinc/96/48/56/1067964856.db2.gz UOJIETMSESRFGG-UNMCSNQZSA-N 0 0 450.362 4.509 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001461940147 1067964881 /nfs/dbraw/zinc/96/48/81/1067964881.db2.gz AUDDKVDEMBZKPD-AZUAARDMSA-N 0 0 458.990 4.834 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCOC[C@H]4C)c(Cl)c3)CCC2=O)cc1C ZINC001461941198 1067965179 /nfs/dbraw/zinc/96/51/79/1067965179.db2.gz PBSAKZXYAIJKRM-RTBURBONSA-N 0 0 455.986 4.564 20 0 JJADRN O[C@H](C[C@H]1COCCN1Cc1cc(Br)cc(Br)c1)c1ccccc1 ZINC001461942364 1067965188 /nfs/dbraw/zinc/96/51/88/1067965188.db2.gz KZUFXMVJHDHAHI-RBUKOAKNSA-N 0 0 455.190 4.536 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCOC[C@@H]4C)c(Cl)c3)CCC2=O)cc1C ZINC001461941195 1067965312 /nfs/dbraw/zinc/96/53/12/1067965312.db2.gz PBSAKZXYAIJKRM-RBUKOAKNSA-N 0 0 455.986 4.564 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN1CCCN(C(=O)C(C)C)CC1 ZINC001461942533 1067965637 /nfs/dbraw/zinc/96/56/37/1067965637.db2.gz HLPAORMZAAWXFJ-UHFFFAOYSA-N 0 0 450.558 4.802 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(F)c3ccccc23)CC1 ZINC001461943790 1067965985 /nfs/dbraw/zinc/96/59/85/1067965985.db2.gz VGEUDSNLDTXTTL-UHFFFAOYSA-N 0 0 453.366 4.792 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)Oc1cc(Cl)cnc1I ZINC001461944310 1067966058 /nfs/dbraw/zinc/96/60/58/1067966058.db2.gz URAMUMZEPPLMIA-UHFFFAOYSA-N 0 0 458.466 4.631 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1Cl ZINC001461948739 1067967202 /nfs/dbraw/zinc/96/72/02/1067967202.db2.gz ITUGWNDGPJPVTK-LLVKDONJSA-N 0 0 455.363 4.509 20 0 JJADRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC001461948662 1067967260 /nfs/dbraw/zinc/96/72/60/1067967260.db2.gz IAYULHSHONTQCF-IBGZPJMESA-N 0 0 455.558 4.781 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001461949344 1067967511 /nfs/dbraw/zinc/96/75/11/1067967511.db2.gz MDUTZUPFUBYYGQ-NVXWUHKLSA-N 0 0 459.384 4.753 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001461949353 1067967538 /nfs/dbraw/zinc/96/75/38/1067967538.db2.gz MDUTZUPFUBYYGQ-WBVHZDCISA-N 0 0 459.384 4.753 20 0 JJADRN CCOc1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc(Br)c1O ZINC001461952891 1067967829 /nfs/dbraw/zinc/96/78/29/1067967829.db2.gz DXTRBJKLAZORAT-UHFFFAOYSA-N 0 0 454.311 4.927 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CCCC1 ZINC001546128324 1067967862 /nfs/dbraw/zinc/96/78/62/1067967862.db2.gz XWNVRPXCCISMBF-IBGZPJMESA-N 0 0 488.474 4.983 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461954373 1067968295 /nfs/dbraw/zinc/96/82/95/1067968295.db2.gz XUAWMXZSORKQDL-UHFFFAOYSA-N 0 0 459.300 4.672 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(I)c(F)c2)C2CCOCC2)cc1C ZINC001461958504 1067968936 /nfs/dbraw/zinc/96/89/36/1067968936.db2.gz NLDKEQFNQMWGHF-UHFFFAOYSA-N 0 0 453.295 4.873 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)ns2)CCN1C(=O)OC(C)(C)C ZINC001461964386 1067969757 /nfs/dbraw/zinc/96/97/57/1067969757.db2.gz JZHBXLKAACOMMT-DOMZBBRYSA-N 0 0 466.401 4.700 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1Br ZINC001461964778 1067970413 /nfs/dbraw/zinc/97/04/13/1067970413.db2.gz PKJRQUQFGFOWGC-SZNDQCEHSA-N 0 0 456.327 4.982 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC001461967752 1067970854 /nfs/dbraw/zinc/97/08/54/1067970854.db2.gz VPXLRLRKEURMRG-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN O=C(Nc1nc2c(s1)c(Br)ccc2F)c1cc(N2CCOC2=O)ccc1F ZINC001461966307 1067970963 /nfs/dbraw/zinc/97/09/63/1067970963.db2.gz NCTCGKZNIIODAJ-UHFFFAOYSA-N 0 0 454.252 4.546 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)[C@@H](CCc3ccccc3)C(F)F)cc2)c1C ZINC001461971294 1067971908 /nfs/dbraw/zinc/97/19/08/1067971908.db2.gz CNVCLTNIVRMDGM-QFIPXVFZSA-N 0 0 455.505 4.696 20 0 JJADRN CCOc1cc(CN2CCc3c(F)cc(F)cc3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461971442 1067972057 /nfs/dbraw/zinc/97/20/57/1067972057.db2.gz XDPPMTMORUMYBT-UHFFFAOYSA-N 0 0 457.473 4.880 20 0 JJADRN Cc1cc(Br)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1OC(F)F ZINC001461975366 1067973012 /nfs/dbraw/zinc/97/30/12/1067973012.db2.gz BTTLWGDUOACOIH-AWEZNQCLSA-N 0 0 459.375 4.829 20 0 JJADRN CCCS(=O)(=O)NC1CCN(Cc2cc(F)ccc2Oc2ccc(SC)cc2)CC1 ZINC001461976695 1067973376 /nfs/dbraw/zinc/97/33/76/1067973376.db2.gz HSSCFBGMMQIHGC-UHFFFAOYSA-N 0 0 452.617 4.634 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2Cc3ccc(C(=O)OC)cc3C2)cc1Br ZINC001461977596 1067973437 /nfs/dbraw/zinc/97/34/37/1067973437.db2.gz UQSPTNYOFXVOMZ-CYBMUJFWSA-N 0 0 452.320 4.572 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC001461976045 1067973557 /nfs/dbraw/zinc/97/35/57/1067973557.db2.gz FPBSRSNCDNTUQH-UHFFFAOYSA-N 0 0 458.672 4.783 20 0 JJADRN COc1cc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(F)cc1Br ZINC001461979065 1067974006 /nfs/dbraw/zinc/97/40/06/1067974006.db2.gz SLQCLHYJFMMVKJ-UHFFFAOYSA-N 0 0 456.425 4.669 20 0 JJADRN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@H](CCc1ccccc1)C(F)F ZINC001461983375 1067974909 /nfs/dbraw/zinc/97/49/09/1067974909.db2.gz ZJLJYDQTUHLKML-OAQYLSRUSA-N 0 0 450.476 4.542 20 0 JJADRN COC[C@@H](C)N(C(=O)c1ccc(I)c(F)c1)[C@H]1CCc2ccccc21 ZINC001461983321 1067974932 /nfs/dbraw/zinc/97/49/32/1067974932.db2.gz ZBAZAYDUJXQHJE-YJYMSZOUSA-N 0 0 453.295 4.595 20 0 JJADRN CCOC(=O)CN(CCc1ccccc1)Cc1cc(Br)ccc1Br ZINC001461989076 1067976169 /nfs/dbraw/zinc/97/61/69/1067976169.db2.gz OTHZJBWAZAGTMU-UHFFFAOYSA-N 0 0 455.190 4.819 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2CC(F)(F)F)cc1 ZINC001461997329 1067977175 /nfs/dbraw/zinc/97/71/75/1067977175.db2.gz NZTHBAOXSFBICH-UHFFFAOYSA-N 0 0 456.530 4.532 20 0 JJADRN Cc1ccc(N(CC2CC2)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC001461999803 1067978050 /nfs/dbraw/zinc/97/80/50/1067978050.db2.gz JDTHULSFMZYGMJ-QHCPKHFHSA-N 0 0 451.542 4.854 20 0 JJADRN O=C(Nc1cccc(OCc2ccccc2)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001462002800 1067978061 /nfs/dbraw/zinc/97/80/61/1067978061.db2.gz YTZAQUMUQHYTQF-OAQYLSRUSA-N 0 0 456.589 4.509 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CC3)c3ccc(C)c(F)c3)CC2)cc1C ZINC001461999784 1067978160 /nfs/dbraw/zinc/97/81/60/1067978160.db2.gz JCPAZDBADNGTSC-UHFFFAOYSA-N 0 0 458.599 4.595 20 0 JJADRN CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462005654 1067978695 /nfs/dbraw/zinc/97/86/95/1067978695.db2.gz CBOONQVASCFJAS-DENIHFKCSA-N 0 0 479.518 4.737 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001462011202 1067980002 /nfs/dbraw/zinc/98/00/02/1067980002.db2.gz DUFDDVWGMTWRIF-UHFFFAOYSA-N 0 0 459.489 4.878 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c1 ZINC001462016714 1067981973 /nfs/dbraw/zinc/98/19/73/1067981973.db2.gz CICMFEIXZDJPNH-NRFANRHFSA-N 0 0 459.999 4.658 20 0 JJADRN COC(=O)c1ccc(-c2ccc(CN3CCN(CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC001462019629 1067982400 /nfs/dbraw/zinc/98/24/00/1067982400.db2.gz KTGFNWPPWPAFNO-UHFFFAOYSA-N 0 0 454.954 4.583 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCc2cc(Br)c(Cl)cc21 ZINC001462022715 1067982829 /nfs/dbraw/zinc/98/28/29/1067982829.db2.gz SQMRACMGQKLFGS-GFCCVEGCSA-N 0 0 454.151 4.698 20 0 JJADRN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC001462027424 1067984038 /nfs/dbraw/zinc/98/40/38/1067984038.db2.gz XKVUDDFRKXTCCD-SFHVURJKSA-N 0 0 453.587 4.594 20 0 JJADRN Clc1cc(Br)cc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC001462031290 1067984868 /nfs/dbraw/zinc/98/48/68/1067984868.db2.gz PCPVIXBSMWQFAX-UHFFFAOYSA-N 0 0 453.793 4.532 20 0 JJADRN O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1nn2c(c1Br)CCC2 ZINC001462033510 1067984964 /nfs/dbraw/zinc/98/49/64/1067984964.db2.gz RRMLENJDLXJOIQ-UHFFFAOYSA-N 0 0 459.156 4.669 20 0 JJADRN CCc1c(C(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cnn1C1CCCC1 ZINC001462037154 1067986049 /nfs/dbraw/zinc/98/60/49/1067986049.db2.gz HSAAWGDVTYXZLL-UHFFFAOYSA-N 0 0 452.599 4.784 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001462036339 1067986070 /nfs/dbraw/zinc/98/60/70/1067986070.db2.gz YVTKFCQWHBDQEO-INIZCTEOSA-N 0 0 458.867 4.997 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001462036327 1067986177 /nfs/dbraw/zinc/98/61/77/1067986177.db2.gz YVBIRYRKMKNBQY-HNNXBMFYSA-N 0 0 452.839 4.692 20 0 JJADRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039798 1067986645 /nfs/dbraw/zinc/98/66/45/1067986645.db2.gz SVZMOACGFRUTBN-INIZCTEOSA-N 0 0 456.530 4.562 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001462038925 1067986828 /nfs/dbraw/zinc/98/68/28/1067986828.db2.gz QRTQPVWXVZWLOB-OAQYLSRUSA-N 0 0 452.505 4.517 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1Br ZINC001462044206 1067988274 /nfs/dbraw/zinc/98/82/74/1067988274.db2.gz MTRSKPCXOVQZOB-LTDCPUDJSA-N 0 0 451.405 4.972 20 0 JJADRN Brc1cncc(Br)c1CNCc1ccnc(N2CCCCCC2)c1 ZINC001462045159 1067988418 /nfs/dbraw/zinc/98/84/18/1067988418.db2.gz COEZTKLNPPAXAE-UHFFFAOYSA-N 0 0 454.210 4.672 20 0 JJADRN CN1c2ccccc2N(C(=O)CCOc2ccc(Cl)cc2Br)C(C)(C)C1=O ZINC001462053745 1067991995 /nfs/dbraw/zinc/99/19/95/1067991995.db2.gz OCIKAPQVECCSIJ-UHFFFAOYSA-N 0 0 451.748 4.660 20 0 JJADRN COc1ccc([C@H]2CCCN2Cc2c(F)ccc(I)c2F)c(OC)c1 ZINC001462053946 1067992045 /nfs/dbraw/zinc/99/20/45/1067992045.db2.gz LNVTZJJMPHILDY-QGZVFWFLSA-N 0 0 459.274 4.924 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3(C)C)cc2)C1 ZINC001462064068 1067993997 /nfs/dbraw/zinc/99/39/97/1067993997.db2.gz KSCKVKUVIMTVIE-JPYJTQIMSA-N 0 0 458.599 4.655 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC001462064950 1067994445 /nfs/dbraw/zinc/99/44/45/1067994445.db2.gz KWPHYABRWWXGCF-UHFFFAOYSA-N 0 0 451.455 4.907 20 0 JJADRN COCCOCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC001462068169 1067995735 /nfs/dbraw/zinc/99/57/35/1067995735.db2.gz KTLOJVCWMJUMRD-UHFFFAOYSA-N 0 0 458.514 4.519 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)[C@H]3c3ccco3)CC2)cc1 ZINC001462072036 1067996161 /nfs/dbraw/zinc/99/61/61/1067996161.db2.gz OPGCSDZIUWDVMC-JOCHJYFZSA-N 0 0 458.624 4.588 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCCc4c(NC(C)=O)cccc43)cs2)cc1 ZINC001462074208 1067996929 /nfs/dbraw/zinc/99/69/29/1067996929.db2.gz RMKUHHHSGCVMDH-UHFFFAOYSA-N 0 0 450.564 4.748 20 0 JJADRN FC(F)(F)c1ccc([C@@H]2CN(Cc3ccc(I)s3)CCO2)cc1 ZINC001462079729 1067997459 /nfs/dbraw/zinc/99/74/59/1067997459.db2.gz GJIRVMOKECPBIA-AWEZNQCLSA-N 0 0 453.267 4.945 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1c(OC)ccc(SC)c1OC ZINC001462083371 1067998110 /nfs/dbraw/zinc/99/81/10/1067998110.db2.gz SOVOURXVMVOZNT-UHFFFAOYSA-N 0 0 455.985 4.987 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@@H](OC)C2)CCCC1 ZINC001546129328 1068000303 /nfs/dbraw/zinc/00/03/03/1068000303.db2.gz BJVFNRYVCXBORQ-LPHOPBHVSA-N 0 0 464.452 4.878 20 0 JJADRN CN(C)c1ccc(F)cc1CN(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093280 1068000656 /nfs/dbraw/zinc/00/06/56/1068000656.db2.gz HREZSIDSXCZPGI-LJQANCHMSA-N 0 0 451.380 4.844 20 0 JJADRN CN(C)c1ccc([S@](C)(=O)=NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462093144 1068000830 /nfs/dbraw/zinc/00/08/30/1068000830.db2.gz FKKACQWWBGNUNL-KTBRYMIGSA-N 0 0 457.596 4.618 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N=[S@@](C)(=O)c3ccc(N(C)C)cc3)c12 ZINC001462094964 1068001047 /nfs/dbraw/zinc/00/10/47/1068001047.db2.gz IGQKOIZYZPADPU-YTTGMZPUSA-N 0 0 452.511 4.700 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3(C)C)cc2)C1 ZINC001462099787 1068001928 /nfs/dbraw/zinc/00/19/28/1068001928.db2.gz XVHVVZVEHIFMJO-WZONZLPQSA-N 0 0 458.599 4.655 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC001546129434 1068003199 /nfs/dbraw/zinc/00/31/99/1068003199.db2.gz GQCDTENYZOPGMO-IBGZPJMESA-N 0 0 498.546 4.709 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001462103913 1068003342 /nfs/dbraw/zinc/00/33/42/1068003342.db2.gz MLHHNJJNBQAFCI-JRGCBEDISA-N 0 0 455.396 4.706 20 0 JJADRN COC(=O)c1cn(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2C)c2ccccc12 ZINC001462102487 1068003538 /nfs/dbraw/zinc/00/35/38/1068003538.db2.gz GQWCLGBZTYOVGH-NRFANRHFSA-N 0 0 455.352 4.863 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC001546129435 1068003731 /nfs/dbraw/zinc/00/37/31/1068003731.db2.gz GQCDTENYZOPGMO-LJQANCHMSA-N 0 0 498.546 4.709 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3C)CC2=O)cc1F ZINC001462104389 1068003828 /nfs/dbraw/zinc/00/38/28/1068003828.db2.gz NRVDQQYLKBXKLK-IIBYNOLFSA-N 0 0 459.359 4.922 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1Br ZINC001462104996 1068003917 /nfs/dbraw/zinc/00/39/17/1068003917.db2.gz NILIRWHTZVRPCA-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCC[C@](OC)(C(F)(F)F)C2)cc1Br ZINC001462108252 1068005032 /nfs/dbraw/zinc/00/50/32/1068005032.db2.gz XXFSQCSMOLVGSN-YVEFUNNKSA-N 0 0 458.290 4.813 20 0 JJADRN CN(C)Cc1ccc(NC2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1Br ZINC001462108091 1068005125 /nfs/dbraw/zinc/00/51/25/1068005125.db2.gz XHGMPFFSBFQBCI-UHFFFAOYSA-N 0 0 456.384 4.530 20 0 JJADRN NC(=O)Cc1cccc2c1CCN(C(=O)c1sc3cc(C(F)(F)F)ccc3c1Cl)C2 ZINC001462116206 1068007526 /nfs/dbraw/zinc/00/75/26/1068007526.db2.gz QEFADGHHBRKKDH-UHFFFAOYSA-N 0 0 452.885 4.800 20 0 JJADRN COc1cc(OC)c(N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1Br ZINC001462119646 1068008521 /nfs/dbraw/zinc/00/85/21/1068008521.db2.gz KVQHDEHAFBXKDK-CYBMUJFWSA-N 0 0 455.780 4.969 20 0 JJADRN COC(=O)c1ccc(CNc2cc(Br)c(OC)cc2OC)c(Br)c1 ZINC001462119832 1068008616 /nfs/dbraw/zinc/00/86/16/1068008616.db2.gz MISUTWVCRWFQCW-UHFFFAOYSA-N 0 0 459.134 4.628 20 0 JJADRN COC(=O)[C@H](NC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC001462120746 1068008885 /nfs/dbraw/zinc/00/88/85/1068008885.db2.gz XWAIUFXCRZWJGQ-VQIMIIECSA-N 0 0 457.011 4.872 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462122874 1068010032 /nfs/dbraw/zinc/01/00/32/1068010032.db2.gz BLSWKWWBKMOTPO-SJLPKXTDSA-N 0 0 458.521 4.716 20 0 JJADRN CC(C)(NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc2cc(Cl)ccc2o1 ZINC001462125952 1068011363 /nfs/dbraw/zinc/01/13/63/1068011363.db2.gz QVUWNSBOYPUHMC-UHFFFAOYSA-N 0 0 454.939 4.784 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21 ZINC001462129146 1068011484 /nfs/dbraw/zinc/01/14/84/1068011484.db2.gz RDPYLKDHJNNYBU-XJUOHMSHSA-N 0 0 457.615 4.592 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001462127979 1068011501 /nfs/dbraw/zinc/01/15/01/1068011501.db2.gz KLFZIVGOFNFTRL-RDTXWAMCSA-N 0 0 452.334 4.874 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c2ccccc12 ZINC001462132951 1068012346 /nfs/dbraw/zinc/01/23/46/1068012346.db2.gz ZBFQCYMVORNUDG-VGSWGCGISA-N 0 0 454.885 4.577 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1nc2c(s1)c(Cl)ccc2F)c1cccc(Br)c1 ZINC001462135032 1068012874 /nfs/dbraw/zinc/01/28/74/1068012874.db2.gz HTIDFOAWXNDXPO-ZDUSSCGKSA-N 0 0 456.724 4.667 20 0 JJADRN CCOc1ccc(N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCOCC3)cc1Br ZINC001462133274 1068012992 /nfs/dbraw/zinc/01/29/92/1068012992.db2.gz XOUGBFDQNUWVRB-ZWKOTPCHSA-N 0 0 455.393 4.722 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001462134584 1068013006 /nfs/dbraw/zinc/01/30/06/1068013006.db2.gz SBYZJXYMTCMBSL-DHIUTWEWSA-N 0 0 464.587 4.586 20 0 JJADRN O=C(Nc1nc2c(s1)c(Cl)ccc2F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001462137542 1068013266 /nfs/dbraw/zinc/01/32/66/1068013266.db2.gz PJDBFEWRMTWCMH-CYBMUJFWSA-N 0 0 456.351 4.896 20 0 JJADRN CC1(C)[C@H]2[C@H](CCCN2C(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)[C@@H]1O ZINC001462137913 1068013636 /nfs/dbraw/zinc/01/36/36/1068013636.db2.gz VWWZPTJXEORSML-ZCNNSNEGSA-N 0 0 450.362 4.785 20 0 JJADRN O=C1NCCN(CCCCc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1 ZINC001462143060 1068014296 /nfs/dbraw/zinc/01/42/96/1068014296.db2.gz GLSKGIRGYDZXOZ-LJQANCHMSA-N 0 0 455.318 4.964 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2nccs2)CCOCC1 ZINC001546129652 1068014354 /nfs/dbraw/zinc/01/43/54/1068014354.db2.gz NJAQLYMCMHCFQD-UHFFFAOYSA-N 0 0 463.554 4.846 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2cnc(C3OCCO3)s2)cc1 ZINC001462145118 1068014557 /nfs/dbraw/zinc/01/45/57/1068014557.db2.gz GWTXAKUOOUIPDT-FQEVSTJZSA-N 0 0 459.612 4.545 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462145988 1068014969 /nfs/dbraw/zinc/01/49/69/1068014969.db2.gz LDWWLLMBKBOIMH-RBZQAINGSA-N 0 0 463.578 4.542 20 0 JJADRN COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)cc1C ZINC001462146791 1068015212 /nfs/dbraw/zinc/01/52/12/1068015212.db2.gz JAVWKGGNNPZHMF-QFIPXVFZSA-N 0 0 454.567 4.584 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1CCOc2ccc(Br)cc2C1 ZINC001462147054 1068015389 /nfs/dbraw/zinc/01/53/89/1068015389.db2.gz KKGOPANBMOLYIZ-UHFFFAOYSA-N 0 0 454.162 4.565 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001462147588 1068015452 /nfs/dbraw/zinc/01/54/52/1068015452.db2.gz QCMHLNHXTKCNPY-UONOGXRCSA-N 0 0 465.369 4.713 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462149151 1068015596 /nfs/dbraw/zinc/01/55/96/1068015596.db2.gz UEESGMNUMXGULV-LSDHHAIUSA-N 0 0 456.538 4.945 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)Nc3nc([C@@H]4CCC[C@@H](C(F)(F)F)C4)cs3)cnc12 ZINC001462148087 1068015654 /nfs/dbraw/zinc/01/56/54/1068015654.db2.gz RNHFYXCFJZWJDU-ZIAGYGMSSA-N 0 0 450.486 4.636 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462149136 1068015827 /nfs/dbraw/zinc/01/58/27/1068015827.db2.gz UEESGMNUMXGULV-GJZGRUSLSA-N 0 0 456.538 4.945 20 0 JJADRN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC001462149682 1068015881 /nfs/dbraw/zinc/01/58/81/1068015881.db2.gz OLVGCMJKODMLRP-UHFFFAOYSA-N 0 0 451.869 4.745 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCOC)Cc2ccco2)CCC1 ZINC001546129692 1068016106 /nfs/dbraw/zinc/01/61/06/1068016106.db2.gz PBQQANIFTOJGHZ-UHFFFAOYSA-N 0 0 462.392 4.862 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN2CCC(N3CCc4cc(F)ccc43)CC2)on1 ZINC001462154375 1068017506 /nfs/dbraw/zinc/01/75/06/1068017506.db2.gz RSVDEIJUFFITKN-UHFFFAOYSA-N 0 0 458.578 4.601 20 0 JJADRN CS(=O)(=O)NCCc1ccc(C(=O)N(c2ccc(Cl)c(Cl)c2)C2CCCC2)cc1 ZINC001462154493 1068017933 /nfs/dbraw/zinc/01/79/33/1068017933.db2.gz JZFOGCRNQCFBCI-UHFFFAOYSA-N 0 0 455.407 4.675 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001546129709 1068018276 /nfs/dbraw/zinc/01/82/76/1068018276.db2.gz PQKXPWAEOPRLNX-OAHLLOKOSA-N 0 0 451.384 4.900 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCOCC1 ZINC001546129741 1068019138 /nfs/dbraw/zinc/01/91/38/1068019138.db2.gz QRMGJXVIEBMNEU-UHFFFAOYSA-N 0 0 474.049 4.500 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)s2)cc1OC ZINC001462165887 1068020258 /nfs/dbraw/zinc/02/02/58/1068020258.db2.gz JSWSZAZZDRBPKT-UZLBHIALSA-N 0 0 462.930 4.880 20 0 JJADRN COC(=O)c1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)OCCCO2 ZINC001462172454 1068021390 /nfs/dbraw/zinc/02/13/90/1068021390.db2.gz XHMVFRIFMHEIFY-UHFFFAOYSA-N 0 0 458.923 4.593 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CCOCC1 ZINC001546129854 1068022025 /nfs/dbraw/zinc/02/20/25/1068022025.db2.gz WOVPPGWCQFWHMI-GASCZTMLSA-N 0 0 486.405 4.970 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001462180980 1068023144 /nfs/dbraw/zinc/02/31/44/1068023144.db2.gz PGOSXBHBLIVUSX-RDGATRHJSA-N 0 0 471.887 4.874 20 0 JJADRN C[C@@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001462179981 1068023169 /nfs/dbraw/zinc/02/31/69/1068023169.db2.gz AXXNGCVBKIFURS-WBMJQRKESA-N 0 0 454.436 4.786 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001546129892 1068023185 /nfs/dbraw/zinc/02/31/85/1068023185.db2.gz XWZKPCWXEXOFFN-UHFFFAOYSA-N 0 0 492.437 4.732 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001462182191 1068023943 /nfs/dbraw/zinc/02/39/43/1068023943.db2.gz BZJRXCAVUMSHQZ-CQSZACIVSA-N 0 0 456.319 4.983 20 0 JJADRN C[C@H](CNc1ccc(Br)cc1OC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC001462182235 1068023991 /nfs/dbraw/zinc/02/39/91/1068023991.db2.gz UEOOSMSRDPNZAS-LLVKDONJSA-N 0 0 452.292 4.967 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(F)c(Br)cc1F ZINC001462183759 1068024215 /nfs/dbraw/zinc/02/42/15/1068024215.db2.gz BJKPBFYSGVSBCJ-UHFFFAOYSA-N 0 0 450.283 4.632 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NCc2ccc(-c3ccccc3C(=O)OC)o2)ccc1C ZINC001462188849 1068025050 /nfs/dbraw/zinc/02/50/50/1068025050.db2.gz GSUDHTVZZUAQAL-UHFFFAOYSA-N 0 0 456.564 4.684 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN1CCC(C)(C)S(=O)(=O)CC1 ZINC001462193540 1068026091 /nfs/dbraw/zinc/02/60/91/1068026091.db2.gz SLQVWUJIDRFQAH-UHFFFAOYSA-N 0 0 457.571 4.511 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CCC1 ZINC001546129956 1068026189 /nfs/dbraw/zinc/02/61/89/1068026189.db2.gz ZOAUPISAFINBJM-CQSZACIVSA-N 0 0 489.384 4.689 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N(CCN2CCOCC2)c2ccccc2Cl)c1 ZINC001462196604 1068027037 /nfs/dbraw/zinc/02/70/37/1068027037.db2.gz DFTMJLMWCHHTJF-UHFFFAOYSA-N 0 0 455.755 4.529 20 0 JJADRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)[C@@H]1CCCCO1 ZINC001462197226 1068027144 /nfs/dbraw/zinc/02/71/44/1068027144.db2.gz UWVRSPVLXRSGDZ-INIZCTEOSA-N 0 0 457.411 4.894 20 0 JJADRN O=C(Nc1[nH]nc2cnc(Br)cc21)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462200353 1068027826 /nfs/dbraw/zinc/02/78/26/1068027826.db2.gz PTTJBMFPNGBOFC-SFHVURJKSA-N 0 0 459.250 4.757 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCc3cc(F)c(Br)cc3F)C2)cc1 ZINC001462204121 1068028424 /nfs/dbraw/zinc/02/84/24/1068028424.db2.gz PHTVZBPXAOBTOT-OAHLLOKOSA-N 0 0 452.295 4.631 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCC1CC1 ZINC001462207392 1068028788 /nfs/dbraw/zinc/02/87/88/1068028788.db2.gz HQICMJGWHZQETC-SFHVURJKSA-N 0 0 455.393 4.720 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccc(OC(F)F)cc3F)cn2c1 ZINC001462207337 1068029058 /nfs/dbraw/zinc/02/90/58/1068029058.db2.gz GJBBMLIZMTYSNK-UHFFFAOYSA-N 0 0 455.436 4.892 20 0 JJADRN Cc1cc(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC001462208446 1068029234 /nfs/dbraw/zinc/02/92/34/1068029234.db2.gz XWDDXJDRCRTCCI-UHFFFAOYSA-N 0 0 451.758 4.858 20 0 JJADRN Cc1c(C(=O)OCc2ccc(Br)c(F)c2F)nnn1-c1cccc2cccnc21 ZINC001462210377 1068029888 /nfs/dbraw/zinc/02/98/88/1068029888.db2.gz QRZAEWKSBYXYDN-UHFFFAOYSA-N 0 0 459.250 4.522 20 0 JJADRN CN1C(=O)C[C@H](C(=O)OCc2ccc(Br)c(F)c2F)[C@H]1c1cccc(Cl)c1 ZINC001462211159 1068029932 /nfs/dbraw/zinc/02/99/32/1068029932.db2.gz RWEFBGBUVNRZJA-SCLBCKFNSA-N 0 0 458.686 4.644 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(F)F)c(Cl)cc1Cl ZINC001462218760 1068030960 /nfs/dbraw/zinc/03/09/60/1068030960.db2.gz PLBRDEWEXVPQCU-NSHDSACASA-N 0 0 459.386 4.872 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)c1 ZINC001462221177 1068031877 /nfs/dbraw/zinc/03/18/77/1068031877.db2.gz XJUYYJKVTJAZKK-QFIPXVFZSA-N 0 0 453.526 4.857 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NCc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462222046 1068031961 /nfs/dbraw/zinc/03/19/61/1068031961.db2.gz BCBUALPOPNOBKQ-UHFFFAOYSA-N 0 0 450.919 4.832 20 0 JJADRN Fc1ccc(I)c(F)c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001462225386 1068032103 /nfs/dbraw/zinc/03/21/03/1068032103.db2.gz MDAJCGVLMLCVJU-OGWOLHLISA-N 0 0 455.286 4.574 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)NCc2c(Cl)cccc2OC(F)F)cc1 ZINC001462226295 1068032971 /nfs/dbraw/zinc/03/29/71/1068032971.db2.gz FRGGWPOAJGQFDV-UHFFFAOYSA-N 0 0 450.869 4.984 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1F ZINC001462228677 1068033376 /nfs/dbraw/zinc/03/33/76/1068033376.db2.gz ROQKHXRVGPBZKF-QVKFZJNVSA-N 0 0 464.324 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001462230105 1068033858 /nfs/dbraw/zinc/03/38/58/1068033858.db2.gz RSSPXNZZNXMDSX-NVVBAYIOSA-N 0 0 456.961 4.998 20 0 JJADRN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001462233143 1068034509 /nfs/dbraw/zinc/03/45/09/1068034509.db2.gz XABJKBDLWUCBJQ-IQMFZBJNSA-N 0 0 450.888 4.734 20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)Cc1cc(Br)sc1Br ZINC001462241435 1068036008 /nfs/dbraw/zinc/03/60/08/1068036008.db2.gz UYCVOKTZDTUIHE-UHFFFAOYSA-N 0 0 457.191 4.998 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC001462241136 1068036083 /nfs/dbraw/zinc/03/60/83/1068036083.db2.gz GHLMFOWHKIAWOH-ZWKOTPCHSA-N 0 0 456.505 4.594 20 0 JJADRN Cc1ccc(CN2CCO[C@@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248218 1068037455 /nfs/dbraw/zinc/03/74/55/1068037455.db2.gz ZOHLNPPLKVMCCZ-QHCPKHFHSA-N 0 0 453.652 4.693 20 0 JJADRN O=C(NC[C@H]1CCC12CCOCC2)c1cc(I)c(Cl)cc1Cl ZINC001462246568 1068037533 /nfs/dbraw/zinc/03/75/33/1068037533.db2.gz VDWCOVPWNFKUFC-SNVBAGLBSA-N 0 0 454.135 4.535 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)nnc1-c1ccccc1 ZINC001462247814 1068037665 /nfs/dbraw/zinc/03/76/65/1068037665.db2.gz QKUKIHPDIRRBAM-UWJYYQICSA-N 0 0 454.571 4.827 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001462250275 1068037825 /nfs/dbraw/zinc/03/78/25/1068037825.db2.gz ZMBBFQMCHADUCW-ZFWWWQNUSA-N 0 0 477.861 4.972 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001462249390 1068037838 /nfs/dbraw/zinc/03/78/38/1068037838.db2.gz KGIVDUZLZLYEME-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001462251765 1068038521 /nfs/dbraw/zinc/03/85/21/1068038521.db2.gz BEDYRAJNHKFWEY-KRWDZBQOSA-N 0 0 457.979 4.856 20 0 JJADRN COc1ccc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1S(C)(=O)=O ZINC001462254457 1068038893 /nfs/dbraw/zinc/03/88/93/1068038893.db2.gz KAQAVQNNGCSSDA-KRWDZBQOSA-N 0 0 455.498 4.526 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCc3cn(C)c4ncccc34)c2)cc1 ZINC001462257610 1068039525 /nfs/dbraw/zinc/03/95/25/1068039525.db2.gz KPGBBNPZDNWIBE-UHFFFAOYSA-N 0 0 455.558 4.646 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001462259136 1068040346 /nfs/dbraw/zinc/04/03/46/1068040346.db2.gz TZWNZLLKNHYLGU-UHFFFAOYSA-N 0 0 457.111 4.648 20 0 JJADRN COCCn1nnc2c1CCN(Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C2 ZINC001462268930 1068041652 /nfs/dbraw/zinc/04/16/52/1068041652.db2.gz GIAHUAVKJBSGTM-UHFFFAOYSA-N 0 0 451.329 4.721 20 0 JJADRN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC001462269335 1068041791 /nfs/dbraw/zinc/04/17/91/1068041791.db2.gz WZBBOOYGKXWRBK-UHFFFAOYSA-N 0 0 455.514 4.835 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462282762 1068043798 /nfs/dbraw/zinc/04/37/98/1068043798.db2.gz WFEMWRQDUYRIBW-GUYCJALGSA-N 0 0 455.395 4.504 20 0 JJADRN Cc1cc(C(C)(C)C)c(C)cc1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001462286461 1068044114 /nfs/dbraw/zinc/04/41/14/1068044114.db2.gz ZFCBMRXMDBERMX-OALUTQOASA-N 0 0 459.608 4.618 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)/C=C\c1nc2ccccc2s1 ZINC001462287762 1068044209 /nfs/dbraw/zinc/04/42/09/1068044209.db2.gz JDASRIFJXVNPOG-DOOKAGJSSA-N 0 0 451.367 4.506 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1oc2ccc(OC)cc2c1C ZINC001462288043 1068044537 /nfs/dbraw/zinc/04/45/37/1068044537.db2.gz MKNIOFNHZSFGTC-MRXNPFEDSA-N 0 0 452.326 4.560 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001462292730 1068045504 /nfs/dbraw/zinc/04/55/04/1068045504.db2.gz HFJJKSSHGKPZOZ-UHFFFAOYSA-N 0 0 458.241 4.556 20 0 JJADRN CCCc1c(NC(=O)c2cc3cc(Br)cnc3n2C)cnn1-c1cccc(F)c1 ZINC001546130607 1068046134 /nfs/dbraw/zinc/04/61/34/1068046134.db2.gz WIBPBUATQXTEIQ-UHFFFAOYSA-N 0 0 456.319 4.865 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@H]1CCO[C@@H]1C ZINC001462298511 1068046457 /nfs/dbraw/zinc/04/64/57/1068046457.db2.gz QCBUEKAYZXXLTI-VFNWGFHPSA-N 0 0 453.963 4.794 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1S(C)(=O)=O ZINC001462297953 1068046598 /nfs/dbraw/zinc/04/65/98/1068046598.db2.gz BMGWDRROVTZTHY-NRFANRHFSA-N 0 0 457.489 4.794 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@@H]1CCO[C@H]1C ZINC001462298518 1068046886 /nfs/dbraw/zinc/04/68/86/1068046886.db2.gz QCBUEKAYZXXLTI-YCRPNKLZSA-N 0 0 453.963 4.794 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3ccc(Br)nc3)c2)c1 ZINC001462299932 1068046964 /nfs/dbraw/zinc/04/69/64/1068046964.db2.gz WZBUXVRGMAROKA-UHFFFAOYSA-N 0 0 454.324 4.885 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c(Br)cccc12 ZINC001462310399 1068048539 /nfs/dbraw/zinc/04/85/39/1068048539.db2.gz ANWFYMNNZNZBLA-QFIPXVFZSA-N 0 0 453.380 4.812 20 0 JJADRN CCCOc1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c(OC)c1 ZINC001462310893 1068048599 /nfs/dbraw/zinc/04/85/99/1068048599.db2.gz RIBFTIIPRUAXMF-GOSISDBHSA-N 0 0 454.567 4.828 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462312693 1068049258 /nfs/dbraw/zinc/04/92/58/1068049258.db2.gz WYWJGONTFMWDTL-QGZVFWFLSA-N 0 0 452.551 4.580 20 0 JJADRN COC(=O)c1ccc(N2CCN(Cc3ccccc3OCc3ccc(F)cc3F)CC2)s1 ZINC001462316268 1068050281 /nfs/dbraw/zinc/05/02/81/1068050281.db2.gz YTNXMMRWUBBZJS-UHFFFAOYSA-N 0 0 458.530 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CSCc1coc(-c2ccccc2)n1 ZINC001462323112 1068051107 /nfs/dbraw/zinc/05/11/07/1068051107.db2.gz GEOADMIWWUQDLJ-VQTJNVASSA-N 0 0 457.596 4.575 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCC[C@H](COC)C2)CCCC1 ZINC001546130860 1068052537 /nfs/dbraw/zinc/05/25/37/1068052537.db2.gz GUNXHNIIDSNAOR-FQEVSTJZSA-N 0 0 474.671 4.572 20 0 JJADRN CC[C@@H](NC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC ZINC001462334931 1068053224 /nfs/dbraw/zinc/05/32/24/1068053224.db2.gz QRQPNXLLWMKJFT-AZUAARDMSA-N 0 0 456.587 4.653 20 0 JJADRN Cc1cc(Br)cc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1OC(F)F ZINC001462337878 1068053894 /nfs/dbraw/zinc/05/38/94/1068053894.db2.gz NTZGBVDHDYJBST-OAQYLSRUSA-N 0 0 452.295 4.969 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(Br)c2)cn1 ZINC001462342932 1068055132 /nfs/dbraw/zinc/05/51/32/1068055132.db2.gz VIQQZYVTISTJFM-UHFFFAOYSA-N 0 0 455.150 4.844 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1NC(=O)CC(C)C ZINC001462345787 1068055828 /nfs/dbraw/zinc/05/58/28/1068055828.db2.gz UGTSYAAGDPUBRR-IRLDBZIGSA-N 0 0 457.615 4.841 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462347619 1068056245 /nfs/dbraw/zinc/05/62/45/1068056245.db2.gz FXVZAUPVESZTRO-FCEWJHQRSA-N 0 0 456.505 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3ccccc3F)nc2)C1 ZINC001462348047 1068056831 /nfs/dbraw/zinc/05/68/31/1068056831.db2.gz GOEADMOVJNVYRW-ICSRJNTNSA-N 0 0 455.530 4.875 20 0 JJADRN Cc1cccc(CC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1Br ZINC001462349548 1068057001 /nfs/dbraw/zinc/05/70/01/1068057001.db2.gz OKONVIRELJVMLH-ZWKOTPCHSA-N 0 0 451.405 4.548 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462350313 1068057093 /nfs/dbraw/zinc/05/70/93/1068057093.db2.gz RBTNFENSVZILNA-PKOBYXMFSA-N 0 0 451.405 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2c(F)cc(Br)cc2F)C1 ZINC001462349552 1068057210 /nfs/dbraw/zinc/05/72/10/1068057210.db2.gz OKYDQFAQKLOOSO-MLGOLLRUSA-N 0 0 459.331 4.589 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 ZINC001462352025 1068057316 /nfs/dbraw/zinc/05/73/16/1068057316.db2.gz BOPYLSPUMGLMBD-FQEVSTJZSA-N 0 0 455.551 4.619 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cnn(C)c2)CCOCC1 ZINC001546131028 1068057935 /nfs/dbraw/zinc/05/79/35/1068057935.db2.gz MVRPQHDLKWWGOZ-UHFFFAOYSA-N 0 0 487.446 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC2 ZINC001462355430 1068058316 /nfs/dbraw/zinc/05/83/16/1068058316.db2.gz IBQWJBXFHBFZTJ-UHFFFAOYSA-N 0 0 452.386 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(Br)cnc2Cl)C1 ZINC001462358696 1068058665 /nfs/dbraw/zinc/05/86/65/1068058665.db2.gz NWDWRGCAOPFUJH-MRXNPFEDSA-N 0 0 452.780 4.954 20 0 JJADRN CC1(C)CC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001462367435 1068060941 /nfs/dbraw/zinc/06/09/41/1068060941.db2.gz LJCYZXKCTAQEIX-XWGVYQGASA-N 0 0 454.636 4.566 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H](CC(=O)OC)c2cccc(C)c2)c(Br)c1 ZINC001462366471 1068060983 /nfs/dbraw/zinc/06/09/83/1068060983.db2.gz PRLDCYDODZNYCD-IBGZPJMESA-N 0 0 450.398 4.833 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(C)c1 ZINC001462366127 1068061161 /nfs/dbraw/zinc/06/11/61/1068061161.db2.gz OIMKBQKLVZERNR-HXUWFJFHSA-N 0 0 458.967 4.647 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CNCC[C@@H]3CSc4ccccc4O3)cs2)cc1 ZINC001462371059 1068061336 /nfs/dbraw/zinc/06/13/36/1068061336.db2.gz YTEMQVUZJDHRNT-HXUWFJFHSA-N 0 0 455.605 4.869 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc43)CC2)no1 ZINC001462374090 1068062015 /nfs/dbraw/zinc/06/20/15/1068062015.db2.gz IOKFVGOUFLCCAO-CYBMUJFWSA-N 0 0 459.955 4.550 20 0 JJADRN COCCC1(NC(=O)[C@H](C)Oc2cccc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372504 1068062174 /nfs/dbraw/zinc/06/21/74/1068062174.db2.gz KYJDNHJJFJSQMV-IBGZPJMESA-N 0 0 456.583 4.530 20 0 JJADRN O=C(NCc1ccccc1)[C@H]1CCN(Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374835 1068062635 /nfs/dbraw/zinc/06/26/35/1068062635.db2.gz KGRQMLFEGWEIMF-AWEZNQCLSA-N 0 0 459.281 4.745 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc2ccccc21 ZINC001462375626 1068062691 /nfs/dbraw/zinc/06/26/91/1068062691.db2.gz DDDYPVQHEAUKJV-QUCCMNQESA-N 0 0 455.308 4.500 20 0 JJADRN CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCN2CCOCC2)CCCC1 ZINC001546131172 1068062818 /nfs/dbraw/zinc/06/28/18/1068062818.db2.gz RBISHMVJMBRMSE-UHFFFAOYSA-N 0 0 453.675 4.981 20 0 JJADRN COc1ccc([C@@H]2COCCN2C(=O)c2cc(-c3ccc(Br)cc3)ns2)cc1 ZINC001462386891 1068063988 /nfs/dbraw/zinc/06/39/88/1068063988.db2.gz FSTUUEGMFSEZNI-IBGZPJMESA-N 0 0 459.365 4.795 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)CC1 ZINC001462388991 1068064320 /nfs/dbraw/zinc/06/43/20/1068064320.db2.gz ONZZYGPKASCQSS-SFHVURJKSA-N 0 0 454.567 4.829 20 0 JJADRN COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1 ZINC001462392383 1068064721 /nfs/dbraw/zinc/06/47/21/1068064721.db2.gz BWRCAYIOMXUVQW-JOCHJYFZSA-N 0 0 450.922 4.786 20 0 JJADRN COC(=O)c1cccc(NC(=O)C[C@H](C)Nc2ccc(Sc3cccc(OC)c3)cn2)c1 ZINC001462391765 1068064746 /nfs/dbraw/zinc/06/47/46/1068064746.db2.gz BIZCMFSDOWVJHM-INIZCTEOSA-N 0 0 451.548 4.857 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C(C)C)C2)CCOCC1 ZINC001546131261 1068064776 /nfs/dbraw/zinc/06/47/76/1068064776.db2.gz UZKDEUQQGBJZBA-MRXNPFEDSA-N 0 0 483.476 4.837 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C(C)C)C2)CCC1 ZINC001546131279 1068065083 /nfs/dbraw/zinc/06/50/83/1068065083.db2.gz VLSZMODOVZIKEY-FQEVSTJZSA-N 0 0 462.685 4.507 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)[C@H]1c1cccc(C)c1 ZINC001462396607 1068065100 /nfs/dbraw/zinc/06/51/00/1068065100.db2.gz MTGBKTUXSLMBBY-JYFHCDHNSA-N 0 0 456.542 4.783 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Br)cc1 ZINC001462397609 1068065500 /nfs/dbraw/zinc/06/55/00/1068065500.db2.gz QEXBVZPCRCMRDG-JLHYYAGUSA-N 0 0 454.324 4.523 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Br)cc1 ZINC001462397611 1068065555 /nfs/dbraw/zinc/06/55/55/1068065555.db2.gz QEXBVZPCRCMRDG-RAXLEYEMSA-N 0 0 454.324 4.523 20 0 JJADRN COC(=O)Cn1cc(CN(C)[C@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)nn1 ZINC001462398315 1068065771 /nfs/dbraw/zinc/06/57/71/1068065771.db2.gz WLXVSVDPFKNIFL-JTSKRJEESA-N 0 0 459.377 4.857 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001462399420 1068066031 /nfs/dbraw/zinc/06/60/31/1068066031.db2.gz DZMWYKMPVGLXBX-UHFFFAOYSA-N 0 0 454.283 4.682 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)nnn1-c1ccccc1Br ZINC001462399964 1068066178 /nfs/dbraw/zinc/06/61/78/1068066178.db2.gz GJDYWMMEFXEWAR-UHFFFAOYSA-N 0 0 458.335 4.720 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)cc1 ZINC001462404783 1068067262 /nfs/dbraw/zinc/06/72/62/1068067262.db2.gz CZSJFYIQMZRBBE-UUASQNMZSA-N 0 0 450.516 4.838 20 0 JJADRN CC(C)Cc1ccc([C@@H](NC(=O)c2cc(=O)n(C)cc2Br)c2cccs2)cc1 ZINC001462408428 1068067502 /nfs/dbraw/zinc/06/75/02/1068067502.db2.gz ASOCLEIZJIEAIB-OAQYLSRUSA-N 0 0 459.409 4.927 20 0 JJADRN Cc1ccc(-c2ncc(CN(Cc3cc(C)c(C)c(S(N)(=O)=O)c3)C3CC3)s2)cc1C ZINC001462411348 1068068681 /nfs/dbraw/zinc/06/86/81/1068068681.db2.gz OTIYLIXGYZWUDG-UHFFFAOYSA-N 0 0 455.649 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)C1(C)C ZINC001462410951 1068068788 /nfs/dbraw/zinc/06/87/88/1068068788.db2.gz KURCNKNQYDZDDJ-IERDGZPVSA-N 0 0 453.514 4.643 20 0 JJADRN C[C@H](CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1C(F)(F)F ZINC001462417196 1068070229 /nfs/dbraw/zinc/07/02/29/1068070229.db2.gz FOUUAMIQIPHQQL-SNVBAGLBSA-N 0 0 457.246 4.931 20 0 JJADRN C[C@@H](CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1C(F)(F)F ZINC001462417195 1068070321 /nfs/dbraw/zinc/07/03/21/1068070321.db2.gz FOUUAMIQIPHQQL-JTQLQIEISA-N 0 0 457.246 4.931 20 0 JJADRN O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)C1(c2cccc(F)c2)CCCCC1 ZINC001462423185 1068071443 /nfs/dbraw/zinc/07/14/43/1068071443.db2.gz GALAXJFGWSOVKV-FQEVSTJZSA-N 0 0 459.359 4.860 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001462423474 1068071650 /nfs/dbraw/zinc/07/16/50/1068071650.db2.gz AEDWOCVCPOYKAV-UWJYYQICSA-N 0 0 452.448 4.906 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)c1I ZINC001462426536 1068072192 /nfs/dbraw/zinc/07/21/92/1068072192.db2.gz IXZACWYTNNYDCQ-GFCCVEGCSA-N 0 0 455.193 4.894 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001462430453 1068073023 /nfs/dbraw/zinc/07/30/23/1068073023.db2.gz YTXIRYPKJAQGSA-QGZVFWFLSA-N 0 0 451.748 4.575 20 0 JJADRN CC(C)(C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)c1ccc(Br)cc1 ZINC001462431071 1068073297 /nfs/dbraw/zinc/07/32/97/1068073297.db2.gz MISWAKSKRBYNIX-UHFFFAOYSA-N 0 0 453.384 4.578 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436188 1068073575 /nfs/dbraw/zinc/07/35/75/1068073575.db2.gz FHILNNIIOVDMPC-LVXARBLLSA-N 0 0 457.014 4.699 20 0 JJADRN O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001462438487 1068074192 /nfs/dbraw/zinc/07/41/92/1068074192.db2.gz KIDBQBXVYJZXMP-KRWDZBQOSA-N 0 0 455.404 4.692 20 0 JJADRN COc1ccc(C2CC2)c(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001462440891 1068074417 /nfs/dbraw/zinc/07/44/17/1068074417.db2.gz KVZVVBDCQQLUTR-UHFFFAOYSA-N 0 0 453.583 4.538 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449380 1068077028 /nfs/dbraw/zinc/07/70/28/1068077028.db2.gz YDOFRLNKKGSZDK-KSFYIVLOSA-N 0 0 452.904 4.864 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001462452148 1068078017 /nfs/dbraw/zinc/07/80/17/1068078017.db2.gz ALNXMTONZMLYQY-XUZZJYLKSA-N 0 0 467.928 4.844 20 0 JJADRN COC(=O)C[C@H](C)CC(=O)Nc1ccccc1Oc1cccc(I)c1 ZINC001462454597 1068078156 /nfs/dbraw/zinc/07/81/56/1068078156.db2.gz RWLYCRWMRXIAOG-CYBMUJFWSA-N 0 0 453.276 4.611 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)Cc3csc(-c4cccc(C)c4)n3)C2)nc1C ZINC001462460135 1068078966 /nfs/dbraw/zinc/07/89/66/1068078966.db2.gz BGBGUEKVXVPKSE-KRWDZBQOSA-N 0 0 455.605 4.619 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)C2)nc1C ZINC001462464241 1068080133 /nfs/dbraw/zinc/08/01/33/1068080133.db2.gz OXQHWJBQBKBHRG-CJNGLKHVSA-N 0 0 454.514 4.842 20 0 JJADRN C[C@]1(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)OCCc2ccccc21 ZINC001462462434 1068080149 /nfs/dbraw/zinc/08/01/49/1068080149.db2.gz BTIGSJFWOICZSE-JOCHJYFZSA-N 0 0 457.393 4.719 20 0 JJADRN C[C@@]1(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)OCCc2ccccc21 ZINC001462467764 1068080284 /nfs/dbraw/zinc/08/02/84/1068080284.db2.gz MWCKWUMWTRNKFJ-QHCPKHFHSA-N 0 0 456.336 4.839 20 0 JJADRN CCSc1ccc(CNC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC001462466913 1068080585 /nfs/dbraw/zinc/08/05/85/1068080585.db2.gz KVUIMGFAPDNUPY-UHFFFAOYSA-N 0 0 450.560 4.755 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3)C2)nc1C ZINC001462469335 1068081021 /nfs/dbraw/zinc/08/10/21/1068081021.db2.gz YDNCBVCEQJIVKR-LLVKDONJSA-N 0 0 457.777 4.674 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)CC2)cc1 ZINC001462474424 1068081165 /nfs/dbraw/zinc/08/11/65/1068081165.db2.gz XKYRRRGYOCDWFZ-UHFFFAOYSA-N 0 0 457.496 4.696 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001462473839 1068081307 /nfs/dbraw/zinc/08/13/07/1068081307.db2.gz WTLIMEZGNXFCEG-DEOSSOPVSA-N 0 0 451.611 4.549 20 0 JJADRN CCOC(=O)COc1c(Br)cc(C)cc1CNc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC001462486786 1068083439 /nfs/dbraw/zinc/08/34/39/1068083439.db2.gz PLDQKYUVXDDBPD-RBUKOAKNSA-N 0 0 476.367 4.588 20 0 JJADRN CC(C)(C)c1ccc(I)c(OC(=O)[C@@]2(C)OCCc3ccccc32)c1 ZINC001462488562 1068083812 /nfs/dbraw/zinc/08/38/12/1068083812.db2.gz BSUUDGYDFHZSMR-NRFANRHFSA-N 0 0 450.316 4.982 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3C[C@H](C)CC3(C)C)nnc2-c2ccc(C)cc2)cc1 ZINC001462491179 1068084286 /nfs/dbraw/zinc/08/42/86/1068084286.db2.gz QWJMKOQGDMLICE-GOSISDBHSA-N 0 0 450.608 4.990 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3CN(C)C(=O)OC(C)(C)C)c12 ZINC001462492914 1068084957 /nfs/dbraw/zinc/08/49/57/1068084957.db2.gz ACOMKKSFBNPCRF-QGZVFWFLSA-N 0 0 456.587 4.914 20 0 JJADRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001462495714 1068085383 /nfs/dbraw/zinc/08/53/83/1068085383.db2.gz MRICZWQETCFFIC-RXVVDRJESA-N 0 0 454.286 4.794 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(Br)cn2ccnc12 ZINC001462497990 1068085518 /nfs/dbraw/zinc/08/55/18/1068085518.db2.gz VERQXTUSWFQNIA-HXUWFJFHSA-N 0 0 452.274 4.752 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC001462498085 1068085530 /nfs/dbraw/zinc/08/55/30/1068085530.db2.gz VJHOAACNLFZUDC-QFIPXVFZSA-N 0 0 457.489 4.663 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)nc1C ZINC001462498863 1068085925 /nfs/dbraw/zinc/08/59/25/1068085925.db2.gz XWKKHAORHYFTAZ-UHFFFAOYSA-N 0 0 458.649 4.690 20 0 JJADRN C[C@]1(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)Oc2ccccc2NC1=O ZINC001462501603 1068086930 /nfs/dbraw/zinc/08/69/30/1068086930.db2.gz KDJBXDOVGVMTHU-HSZRJFAPSA-N 0 0 458.848 4.817 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cnc(CC(C)C)s2)cc1 ZINC001462503397 1068087374 /nfs/dbraw/zinc/08/73/74/1068087374.db2.gz XADQAGINGVYDTR-IBGZPJMESA-N 0 0 459.612 4.784 20 0 JJADRN C[C@H](CC(=O)NCc1ccc2ccc(Br)cc2c1)n1cc(Br)cn1 ZINC001462509011 1068087488 /nfs/dbraw/zinc/08/74/88/1068087488.db2.gz ADKQHVRRDYANSZ-GFCCVEGCSA-N 0 0 451.162 4.829 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462509038 1068087656 /nfs/dbraw/zinc/08/76/56/1068087656.db2.gz ARLLHZQEFDJLJN-CCEZHUSRSA-N 0 0 453.377 4.838 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001462509837 1068088209 /nfs/dbraw/zinc/08/82/09/1068088209.db2.gz ISXVPLOYJUPQLO-QGZVFWFLSA-N 0 0 455.327 4.801 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CSc2ccc(C)cc2)c1 ZINC001462512813 1068089168 /nfs/dbraw/zinc/08/91/68/1068089168.db2.gz CSSBLCPXTSSTSE-JOCHJYFZSA-N 0 0 456.608 4.916 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(C)nc3c2)c1 ZINC001462516945 1068089289 /nfs/dbraw/zinc/08/92/89/1068089289.db2.gz KUECJPMONKCGRZ-OAQYLSRUSA-N 0 0 451.523 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C2(CCC2)CC1 ZINC001462517932 1068089882 /nfs/dbraw/zinc/08/98/82/1068089882.db2.gz QWJUHIWNLKWAJW-UHFFFAOYSA-N 0 0 459.587 4.884 20 0 JJADRN COc1cc(Br)ccc1C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001462518672 1068090078 /nfs/dbraw/zinc/09/00/78/1068090078.db2.gz USOIPQKNXHTXFF-UHFFFAOYSA-N 0 0 455.393 4.757 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C(C)C)nc2C)c1 ZINC001462518706 1068090213 /nfs/dbraw/zinc/09/02/13/1068090213.db2.gz VKQXHDIMXNINAO-QHCPKHFHSA-N 0 0 453.583 4.956 20 0 JJADRN CCC[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl ZINC001462519609 1068090563 /nfs/dbraw/zinc/09/05/63/1068090563.db2.gz WPUNJDREFLOKAI-MRXNPFEDSA-N 0 0 453.004 4.730 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001462522549 1068090833 /nfs/dbraw/zinc/09/08/33/1068090833.db2.gz FLUKRDLDOXMMPL-VQTJNVASSA-N 0 0 466.525 4.521 20 0 JJADRN Cc1cc(Oc2ccc(CN(C)C(=O)C[C@@H]3CCCS(=O)(=O)C3)c(Cl)c2)ccc1F ZINC001462523941 1068091244 /nfs/dbraw/zinc/09/12/44/1068091244.db2.gz OAZKAEDFFKMMRC-INIZCTEOSA-N 0 0 453.963 4.753 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001462524574 1068091425 /nfs/dbraw/zinc/09/14/25/1068091425.db2.gz AFGZCILSFYTWBL-QFIPXVFZSA-N 0 0 457.864 4.957 20 0 JJADRN C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001462524903 1068091541 /nfs/dbraw/zinc/09/15/41/1068091541.db2.gz FLPIEZUJFYJLFW-HBGVWJBISA-N 0 0 454.954 4.827 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cc2cc(Br)ccc2o1 ZINC001462533716 1068093058 /nfs/dbraw/zinc/09/30/58/1068093058.db2.gz JKYFBKPZWKZVSU-UHFFFAOYSA-N 0 0 456.315 4.996 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001462533781 1068093196 /nfs/dbraw/zinc/09/31/96/1068093196.db2.gz VGQSNMFQHTZLTH-HXUWFJFHSA-N 0 0 455.377 4.866 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001462537012 1068093376 /nfs/dbraw/zinc/09/33/76/1068093376.db2.gz NAPOPZFZOADSRG-IAGOWNOFSA-N 0 0 454.876 4.714 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001462536984 1068093664 /nfs/dbraw/zinc/09/36/64/1068093664.db2.gz ZSXXPMXNLTUMIP-DOTOQJQBSA-N 0 0 467.896 4.727 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001462538839 1068094123 /nfs/dbraw/zinc/09/41/23/1068094123.db2.gz SGVXJBDEMJTORB-UHFFFAOYSA-N 0 0 450.967 4.722 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[C@H](c3ccc(F)c(F)c3)C2(C)C)cs1 ZINC001462540558 1068094461 /nfs/dbraw/zinc/09/44/61/1068094461.db2.gz FYXWEDSYLMNKME-CQSZACIVSA-N 0 0 451.539 4.854 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001462542068 1068094653 /nfs/dbraw/zinc/09/46/53/1068094653.db2.gz LSAIKAUPMONEIS-IBGZPJMESA-N 0 0 459.514 4.940 20 0 JJADRN CC(C)(C)c1ccc(NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)cc1F ZINC001462542627 1068094948 /nfs/dbraw/zinc/09/49/48/1068094948.db2.gz ZNLKDQNPOIAHOD-UHFFFAOYSA-N 0 0 450.551 4.882 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001462543818 1068095010 /nfs/dbraw/zinc/09/50/10/1068095010.db2.gz JOBPFPLURLWOEZ-NRFANRHFSA-N 0 0 450.922 4.935 20 0 JJADRN Cc1ccc([C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Br)C2(C)C)cc1 ZINC001462542870 1068095032 /nfs/dbraw/zinc/09/50/32/1068095032.db2.gz NVSFFERLOBNGPO-SFHVURJKSA-N 0 0 450.398 4.569 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)CCc3ccc(Br)cc3F)sc2c1 ZINC001462546672 1068095433 /nfs/dbraw/zinc/09/54/33/1068095433.db2.gz XAGVEHZNJIXJAO-UHFFFAOYSA-N 0 0 451.317 4.946 20 0 JJADRN CCO[C@@H]1C[C@@H](N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548297 1068096066 /nfs/dbraw/zinc/09/60/66/1068096066.db2.gz OMXOVUGBZKGZNS-WOIUINJBSA-N 0 0 475.680 4.864 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F ZINC001462552164 1068097128 /nfs/dbraw/zinc/09/71/28/1068097128.db2.gz GLMPZJVLBNZOBT-INIZCTEOSA-N 0 0 452.901 4.659 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc2c1O[C@@H](C)C2 ZINC001462565600 1068099537 /nfs/dbraw/zinc/09/95/37/1068099537.db2.gz KSEIVIDYOBYCHZ-IRXDYDNUSA-N 0 0 452.551 4.677 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 ZINC001546132516 1068099920 /nfs/dbraw/zinc/09/99/20/1068099920.db2.gz LGKBQSIYFZRQSO-OAHLLOKOSA-N 0 0 478.410 4.519 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570815 1068100665 /nfs/dbraw/zinc/10/06/65/1068100665.db2.gz XKVQIIZTSLZFKE-YSIASYRMSA-N 0 0 473.614 4.725 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589843 1068105696 /nfs/dbraw/zinc/10/56/96/1068105696.db2.gz KRXMKODNUJVTFQ-SVBQBFEESA-N 0 0 450.004 4.543 20 0 JJADRN CSCC[C@H](C(=O)Nc1ccc(C)c(-c2ccsc2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001462591050 1068106697 /nfs/dbraw/zinc/10/66/97/1068106697.db2.gz XKRDHUAHPGRTRG-SFHLNBCPSA-N 0 0 456.633 4.959 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462596432 1068108351 /nfs/dbraw/zinc/10/83/51/1068108351.db2.gz HNPXXHQELPFICJ-QGZVFWFLSA-N 0 0 457.880 4.711 20 0 JJADRN CC(C)(C)Oc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 ZINC001462603798 1068110214 /nfs/dbraw/zinc/11/02/14/1068110214.db2.gz ZHUANRRQRGZWIL-UHFFFAOYSA-N 0 0 456.542 4.633 20 0 JJADRN COC(=O)[C@@](C)(NCc1cc(-c2ccncc2)ccc1OC)c1cccc(Br)c1 ZINC001462605969 1068110250 /nfs/dbraw/zinc/11/02/50/1068110250.db2.gz ULRRFQSDKBEIQX-QHCPKHFHSA-N 0 0 455.352 4.698 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)Cc2ccccc21 ZINC001462609514 1068111415 /nfs/dbraw/zinc/11/14/15/1068111415.db2.gz SAYSCJYXCWERLN-QGZVFWFLSA-N 0 0 454.979 4.925 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1ccccc1Cl ZINC001462614968 1068112079 /nfs/dbraw/zinc/11/20/79/1068112079.db2.gz BCBWMGYHPXOLSA-HXUWFJFHSA-N 0 0 454.958 4.777 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCCO[C@H](C)C2)CCOCC1 ZINC001546132818 1068112125 /nfs/dbraw/zinc/11/21/25/1068112125.db2.gz WEJSCSCJVMGMAQ-MRXNPFEDSA-N 0 0 481.410 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC001462620647 1068113697 /nfs/dbraw/zinc/11/36/97/1068113697.db2.gz HVSQGODSNJOCOA-QFIPXVFZSA-N 0 0 453.631 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCCc3ccccc3Br)CCC[C@@H]12 ZINC001462620379 1068113808 /nfs/dbraw/zinc/11/38/08/1068113808.db2.gz APMVZXUNKYDDGU-GCJKJVERSA-N 0 0 451.405 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)C(F)(F)c3cccc(Br)c3)CCC[C@@H]12 ZINC001462620910 1068114174 /nfs/dbraw/zinc/11/41/74/1068114174.db2.gz XIERNQALRBCJNK-BEFAXECRSA-N 0 0 459.331 4.589 20 0 JJADRN Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)nc(-c2ccc(Cl)cc2)n1 ZINC001462622028 1068114876 /nfs/dbraw/zinc/11/48/76/1068114876.db2.gz CYNANYBHEYRLKD-NTKDMRAZSA-N 0 0 456.974 4.767 20 0 JJADRN O=C(NCC(F)(F)c1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 ZINC001462625157 1068116300 /nfs/dbraw/zinc/11/63/00/1068116300.db2.gz PRXJYCBCWDAPEU-UHFFFAOYSA-N 0 0 455.814 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)Cc2ccccc2OC(F)F)CC1 ZINC001462629678 1068117500 /nfs/dbraw/zinc/11/75/00/1068117500.db2.gz WOMPGMDRLAMPOS-IBGZPJMESA-N 0 0 452.542 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CCC[C@H]12 ZINC001462630137 1068117540 /nfs/dbraw/zinc/11/75/40/1068117540.db2.gz SXPZQPWNZBIQNA-RQXXJAGISA-N 0 0 454.489 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CCC[C@@H]12 ZINC001462630132 1068117640 /nfs/dbraw/zinc/11/76/40/1068117640.db2.gz SXPZQPWNZBIQNA-FBAVSBLXSA-N 0 0 454.489 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CCC[C@@H]12 ZINC001462630135 1068117643 /nfs/dbraw/zinc/11/76/43/1068117643.db2.gz SXPZQPWNZBIQNA-KCXPTXFHSA-N 0 0 454.489 4.737 20 0 JJADRN C[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631133 1068118111 /nfs/dbraw/zinc/11/81/11/1068118111.db2.gz UFOJBAKTOIISLX-CABCVRRESA-N 0 0 454.402 4.557 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001462640438 1068121451 /nfs/dbraw/zinc/12/14/51/1068121451.db2.gz HPRGXSNKOOMVDS-KRWDZBQOSA-N 0 0 459.930 4.784 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1NC(=O)Nc1ccccc1 ZINC001462639784 1068121539 /nfs/dbraw/zinc/12/15/39/1068121539.db2.gz FBASBZJIIWJNTQ-JOCHJYFZSA-N 0 0 458.518 4.736 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2c[nH]c3cccc(Cl)c23)(C(F)(F)F)CC1 ZINC001462641762 1068121613 /nfs/dbraw/zinc/12/16/13/1068121613.db2.gz COVNPNMQLZNIRK-UHFFFAOYSA-N 0 0 459.896 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC001462652019 1068124321 /nfs/dbraw/zinc/12/43/21/1068124321.db2.gz DESIABOUFLWYJC-HOFKKMOUSA-N 0 0 452.595 4.545 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CCO[C@H]3C)CC2=O)cc1 ZINC001462651653 1068124410 /nfs/dbraw/zinc/12/44/10/1068124410.db2.gz RQEPKTCGRKMZTO-IXFSTUDKSA-N 0 0 456.970 4.611 20 0 JJADRN Cc1cccc(Nc2ccccc2C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1C ZINC001462651560 1068124430 /nfs/dbraw/zinc/12/44/30/1068124430.db2.gz BVRYJEUUXOYPPM-SANMLTNESA-N 0 0 453.583 4.803 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462653117 1068125210 /nfs/dbraw/zinc/12/52/10/1068125210.db2.gz GOSCZFJFCRXRMH-DZGCQCFKSA-N 0 0 450.288 4.776 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)O3)cc12 ZINC001462653748 1068125298 /nfs/dbraw/zinc/12/52/98/1068125298.db2.gz HYGAMZUMJBEJLT-YJBOKZPZSA-N 0 0 455.477 4.823 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H]2CCCCC23OCCO3)cs1)c1cccc(C(F)(F)F)c1 ZINC001462660530 1068126550 /nfs/dbraw/zinc/12/65/50/1068126550.db2.gz CGSVRIBMFXFFKQ-GOSISDBHSA-N 0 0 455.502 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCN2Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462672215 1068128466 /nfs/dbraw/zinc/12/84/66/1068128466.db2.gz GJKCPNFYNIYYFA-UHFFFAOYSA-N 0 0 453.274 4.802 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1cc(C(F)(F)F)nn1C ZINC001462673127 1068128592 /nfs/dbraw/zinc/12/85/92/1068128592.db2.gz ADFXTNISVXBUTM-NSHDSACASA-N 0 0 458.893 4.685 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC001462678474 1068129321 /nfs/dbraw/zinc/12/93/21/1068129321.db2.gz XZMOSNOBIUQBQG-OXJNMPFZSA-N 0 0 454.876 4.593 20 0 JJADRN C/C(=C\C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1C(F)(F)F ZINC001462678728 1068129858 /nfs/dbraw/zinc/12/98/58/1068129858.db2.gz QCKOQBWGVBPQKR-AUNVLUTFSA-N 0 0 453.501 4.894 20 0 JJADRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)cc1OC ZINC001462684287 1068131353 /nfs/dbraw/zinc/13/13/53/1068131353.db2.gz ZSWUIJXVRGWGNG-IBGZPJMESA-N 0 0 458.511 4.556 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001462686370 1068132067 /nfs/dbraw/zinc/13/20/67/1068132067.db2.gz GHXACMBPHHFGRL-SMDDNHRTSA-N 0 0 451.308 4.608 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)c1 ZINC001462690462 1068132133 /nfs/dbraw/zinc/13/21/33/1068132133.db2.gz QANMQQOMOGPEBV-UHFFFAOYSA-N 0 0 458.331 4.510 20 0 JJADRN O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC001462691720 1068132765 /nfs/dbraw/zinc/13/27/65/1068132765.db2.gz AMFKXOVKAQZDNR-UHFFFAOYSA-N 0 0 453.413 4.542 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001462691234 1068132821 /nfs/dbraw/zinc/13/28/21/1068132821.db2.gz NFZQBRYCSCWQGH-WMLDXEAASA-N 0 0 455.274 4.559 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)cc(Br)c1C ZINC001462696299 1068134075 /nfs/dbraw/zinc/13/40/75/1068134075.db2.gz WYRUYFNWFSUFDN-UHFFFAOYSA-N 0 0 455.370 4.999 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001462699738 1068135150 /nfs/dbraw/zinc/13/51/50/1068135150.db2.gz STUAZPKDDFERFP-MOPGFXCFSA-N 0 0 451.405 4.594 20 0 JJADRN CCOC(=O)c1cc(Cl)c(OS(=O)(=O)c2cc(F)ccc2OC(F)F)c(Cl)c1 ZINC001462703063 1068136473 /nfs/dbraw/zinc/13/64/73/1068136473.db2.gz OGSBGOKHIBBEDT-UHFFFAOYSA-N 0 0 459.225 4.678 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N[C@H]1CCOc2ccc(Br)cc21 ZINC001462704675 1068137141 /nfs/dbraw/zinc/13/71/41/1068137141.db2.gz ZVDWNJTYKYOKRN-FQEVSTJZSA-N 0 0 453.336 4.606 20 0 JJADRN COc1ccc(-n2cc(C(=O)N3C[C@H](C)Cc4cc(C(F)(F)F)cc(Cl)c43)nn2)cc1 ZINC001462706977 1068137756 /nfs/dbraw/zinc/13/77/56/1068137756.db2.gz GVCPMAQUWHAZCP-GFCCVEGCSA-N 0 0 450.848 4.787 20 0 JJADRN C[C@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)CCn2cnc3sccc3c2=O)C1 ZINC001462709622 1068138992 /nfs/dbraw/zinc/13/89/92/1068138992.db2.gz NBZXJUHTKMGHKV-NSHDSACASA-N 0 0 455.889 4.746 20 0 JJADRN CCC1(C(=O)Nc2nc3c(cccc3Br)[nH]2)CCN(C(=O)c2ccccc2)CC1 ZINC001462712597 1068139449 /nfs/dbraw/zinc/13/94/49/1068139449.db2.gz UYGUKQYSKGBCGC-UHFFFAOYSA-N 0 0 455.356 4.597 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1oc2ccc(Br)cc2c1C ZINC001462711301 1068139470 /nfs/dbraw/zinc/13/94/70/1068139470.db2.gz CVJQEKNNALGSMX-QGZVFWFLSA-N 0 0 456.292 4.764 20 0 JJADRN Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3C)CC2)c1C ZINC001462713585 1068140143 /nfs/dbraw/zinc/14/01/43/1068140143.db2.gz GCWLGYDCRMZXFX-UHFFFAOYSA-N 0 0 457.821 4.539 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001462716374 1068140638 /nfs/dbraw/zinc/14/06/38/1068140638.db2.gz QWSZIFQGHLZHOG-UHFFFAOYSA-N 0 0 452.351 4.839 20 0 JJADRN CCc1ccc(CS(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC001462719160 1068141178 /nfs/dbraw/zinc/14/11/78/1068141178.db2.gz SOWSMNJYLWGPFA-AREMUKBSSA-N 0 0 451.588 4.744 20 0 JJADRN Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1NC(=O)c1cccs1 ZINC001462722033 1068142384 /nfs/dbraw/zinc/14/23/84/1068142384.db2.gz FSPAGRAQIZFFDM-IEBWSBKVSA-N 0 0 471.623 4.932 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2cc(F)ccc2Br)cc1)c1ccccc1 ZINC001462723879 1068143403 /nfs/dbraw/zinc/14/34/03/1068143403.db2.gz RBFQWLBXHKUMME-UHFFFAOYSA-N 0 0 450.285 4.608 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc2ccc(Br)cc2s1 ZINC001462723608 1068143465 /nfs/dbraw/zinc/14/34/65/1068143465.db2.gz PBFUUIWBGLJWHE-MRXNPFEDSA-N 0 0 458.333 4.924 20 0 JJADRN CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001462726120 1068144047 /nfs/dbraw/zinc/14/40/47/1068144047.db2.gz UNJPDHVOBLMYPA-AUSIDOKSSA-N 0 0 452.526 4.524 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H](c1ccccc1)c1ccccn1 ZINC001462727631 1068144658 /nfs/dbraw/zinc/14/46/58/1068144658.db2.gz HTGQHVZZPIFNLW-LJQANCHMSA-N 0 0 451.773 4.707 20 0 JJADRN O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1c(F)cc(Br)cc1F ZINC001462726457 1068144744 /nfs/dbraw/zinc/14/47/44/1068144744.db2.gz SBZWLTXQTBCOIC-UHFFFAOYSA-N 0 0 453.351 4.974 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC001462727813 1068145285 /nfs/dbraw/zinc/14/52/85/1068145285.db2.gz ZMWOPQMULHQLIC-AREMUKBSSA-N 0 0 451.588 4.993 20 0 JJADRN Cc1cc([C@H](CC(=O)NCc2nccc3c2CCCC3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462729682 1068145921 /nfs/dbraw/zinc/14/59/21/1068145921.db2.gz FZXVEWHCSBRGTB-IBGZPJMESA-N 0 0 458.990 4.590 20 0 JJADRN CN(c1ccc(OS(=O)(=O)CC2(C)CCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC001462731250 1068146331 /nfs/dbraw/zinc/14/63/31/1068146331.db2.gz ODLYVAFMIKYWJK-UHFFFAOYSA-N 0 0 459.589 4.564 20 0 JJADRN O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCC[C@H]1CCC2(CCOCC2)CO1 ZINC001462729553 1068146344 /nfs/dbraw/zinc/14/63/44/1068146344.db2.gz GKSSONGFCVTZEU-HSZRJFAPSA-N 0 0 457.998 4.944 20 0 JJADRN O=C(Oc1c(Br)cc(Br)cc1Br)OC1CCOCC1 ZINC001462731743 1068146370 /nfs/dbraw/zinc/14/63/70/1068146370.db2.gz MTCGXPJNDNVNET-UHFFFAOYSA-N 0 0 458.928 4.669 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)c3csc4ccccc43)cc2)cc1 ZINC001462731595 1068146398 /nfs/dbraw/zinc/14/63/98/1068146398.db2.gz OTPCSKQCBNMKIL-UHFFFAOYSA-N 0 0 459.570 4.778 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)C1(c2cccc(Br)c2)CCCC1 ZINC001462734766 1068147520 /nfs/dbraw/zinc/14/75/20/1068147520.db2.gz NLPGCSKTQFFJJS-FQEVSTJZSA-N 0 0 450.417 4.743 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC001462735001 1068147603 /nfs/dbraw/zinc/14/76/03/1068147603.db2.gz SVFAIQYBFWEVEV-UHFFFAOYSA-N 0 0 459.395 4.740 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c(Br)c1 ZINC001462733419 1068147700 /nfs/dbraw/zinc/14/77/00/1068147700.db2.gz UUXGRRUDWZMBBW-UHFFFAOYSA-N 0 0 454.125 4.700 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)Cc1c(F)cccc1F ZINC001462735398 1068148267 /nfs/dbraw/zinc/14/82/67/1068148267.db2.gz NGQDIYNFQDDEGX-UHFFFAOYSA-N 0 0 459.543 4.841 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1cc(C(F)(F)F)ccc1Br ZINC001462735762 1068148394 /nfs/dbraw/zinc/14/83/94/1068148394.db2.gz PYRNHWXWKFHACM-AWEZNQCLSA-N 0 0 450.295 4.564 20 0 JJADRN CCc1c(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC001462737096 1068148941 /nfs/dbraw/zinc/14/89/41/1068148941.db2.gz ZPXFYJBZYPPMEY-IAGOWNOFSA-N 0 0 461.006 4.711 20 0 JJADRN CCOc1ccc([C@H](CNS(=O)(=O)CC2(C)CCC2)c2c[nH]c3ccccc32)cc1OC ZINC001462741710 1068151269 /nfs/dbraw/zinc/15/12/69/1068151269.db2.gz WOGPUAINBDDAGH-FQEVSTJZSA-N 0 0 456.608 4.817 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)c1F ZINC001462744664 1068152532 /nfs/dbraw/zinc/15/25/32/1068152532.db2.gz OWVDRYRAIFYUSM-GOSISDBHSA-N 0 0 455.935 4.580 20 0 JJADRN CCCCc1ccc([C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C(C)C)cc1 ZINC001462743641 1068152596 /nfs/dbraw/zinc/15/25/96/1068152596.db2.gz ASXQEDKMVLSHFV-LOSJGSFVSA-N 0 0 456.652 4.951 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1Cl ZINC001462743768 1068152624 /nfs/dbraw/zinc/15/26/24/1068152624.db2.gz KAGBZNQRSKBKBS-FQEVSTJZSA-N 0 0 452.960 4.833 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c2cccc(F)c2)cc1 ZINC001462747310 1068153048 /nfs/dbraw/zinc/15/30/48/1068153048.db2.gz XTHHFVNQGBDRNB-DEOSSOPVSA-N 0 0 454.567 4.548 20 0 JJADRN CCCCc1ccc([C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C(C)C)cc1 ZINC001462746831 1068153080 /nfs/dbraw/zinc/15/30/80/1068153080.db2.gz OMDBQVXUBAKRGK-HXUWFJFHSA-N 0 0 459.580 4.701 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001462747162 1068153176 /nfs/dbraw/zinc/15/31/76/1068153176.db2.gz WUFXPDGDNICYLA-UHFFFAOYSA-N 0 0 459.440 4.622 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462748390 1068153784 /nfs/dbraw/zinc/15/37/84/1068153784.db2.gz QMMWKCPXXKDUOF-UHFFFAOYSA-N 0 0 458.798 4.987 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462748154 1068153819 /nfs/dbraw/zinc/15/38/19/1068153819.db2.gz RXFIUOBFGAEWOV-YSIASYRMSA-N 0 0 459.555 4.746 20 0 JJADRN COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462751070 1068155211 /nfs/dbraw/zinc/15/52/11/1068155211.db2.gz FDJYQXMUUZOZAI-HSZRJFAPSA-N 0 0 455.601 4.790 20 0 JJADRN CC(C)c1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c2cccs2)cc1 ZINC001462751192 1068155770 /nfs/dbraw/zinc/15/57/70/1068155770.db2.gz KJQNHHITMZOTJK-OAQYLSRUSA-N 0 0 458.630 4.853 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1ncc(C(F)(F)F)cc1Cl ZINC001462754789 1068156486 /nfs/dbraw/zinc/15/64/86/1068156486.db2.gz MOPRFPVSHOSGQC-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN COc1cc(I)c(C(=O)N(c2ccc(C)cc2)C2CCC2)cc1OC ZINC001462755802 1068156532 /nfs/dbraw/zinc/15/65/32/1068156532.db2.gz PUBQJPRYRFAEJH-UHFFFAOYSA-N 0 0 451.304 4.816 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC001462759046 1068157710 /nfs/dbraw/zinc/15/77/10/1068157710.db2.gz ONRINSFXTDTROK-IRLDBZIGSA-N 0 0 452.551 4.824 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N(CC)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001462759916 1068158280 /nfs/dbraw/zinc/15/82/80/1068158280.db2.gz TYGGHNPWAMBCTA-CQSZACIVSA-N 0 0 452.646 4.676 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001462764532 1068159654 /nfs/dbraw/zinc/15/96/54/1068159654.db2.gz LSIPBCAVRAMZQS-MRXNPFEDSA-N 0 0 457.802 4.768 20 0 JJADRN CN(C)c1ccc(-c2ccncc2NC(=O)/C=C/c2ccc(I)o2)cc1 ZINC001462766013 1068160140 /nfs/dbraw/zinc/16/01/40/1068160140.db2.gz ZJOREEHVRLUATO-CSKARUKUSA-N 0 0 459.287 4.664 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC001462766361 1068160295 /nfs/dbraw/zinc/16/02/95/1068160295.db2.gz HZPIYPZSPIGWOV-HOTGVXAUSA-N 0 0 450.448 4.731 20 0 JJADRN COc1ccc2cc(CNS(=O)(=O)c3cc(Cl)c(Br)cc3F)ccc2c1 ZINC001462767537 1068160718 /nfs/dbraw/zinc/16/07/18/1068160718.db2.gz ZQUAHXPECJYIHS-UHFFFAOYSA-N 0 0 458.736 4.882 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769012 1068161218 /nfs/dbraw/zinc/16/12/18/1068161218.db2.gz FXYVDZYCEMJFLQ-UYAOXDASSA-N 0 0 461.459 4.592 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)c(F)cc1F ZINC001462770399 1068162398 /nfs/dbraw/zinc/16/23/98/1068162398.db2.gz PQGJRDRBFRHEEJ-CXAGYDPISA-N 0 0 463.244 4.520 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001462771822 1068162983 /nfs/dbraw/zinc/16/29/83/1068162983.db2.gz ZBOBCQYHMVTJEX-HNNXBMFYSA-N 0 0 451.189 4.750 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1scc(Br)c1Br ZINC001462771574 1068163145 /nfs/dbraw/zinc/16/31/45/1068163145.db2.gz CWZRJGVEJRWWJY-QMMMGPOBSA-N 0 0 457.184 4.794 20 0 JJADRN O=C(Nc1nccc(-c2ccc(F)c(F)c2)n1)c1cnn(-c2cccc(Br)c2)c1 ZINC001462775491 1068164341 /nfs/dbraw/zinc/16/43/41/1068164341.db2.gz FVWPNJWRQIEAAX-UHFFFAOYSA-N 0 0 456.250 4.622 20 0 JJADRN Cc1ccccc1OCCN(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001462776441 1068164825 /nfs/dbraw/zinc/16/48/25/1068164825.db2.gz VJMFYZZFNIAGFM-UHFFFAOYSA-N 0 0 453.185 4.764 20 0 JJADRN CCOc1ccc(CCC2CCN(S(=O)(=O)[C@H]3CCc4ccccc4[C@@H]3OC)CC2)cc1 ZINC001462776222 1068164909 /nfs/dbraw/zinc/16/49/09/1068164909.db2.gz MGQHVACITSJIBQ-UIOOFZCWSA-N 0 0 457.636 4.762 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)ccc1Br ZINC001462778412 1068165267 /nfs/dbraw/zinc/16/52/67/1068165267.db2.gz PYZVUWNDAJKSFQ-UHFFFAOYSA-N 0 0 450.398 4.832 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1Br)N1CCC[C@H]1c1ccccc1 ZINC001462777820 1068165399 /nfs/dbraw/zinc/16/53/99/1068165399.db2.gz SBNBRSJOADGMCK-HNNXBMFYSA-N 0 0 450.276 4.874 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC1(c2ccccc2)CCCCC1 ZINC001462779640 1068165795 /nfs/dbraw/zinc/16/57/95/1068165795.db2.gz STRJAPDIAQKPMB-UHFFFAOYSA-N 0 0 455.498 4.672 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001546133843 1068165870 /nfs/dbraw/zinc/16/58/70/1068165870.db2.gz BPRIASYQSZPLKP-LJQANCHMSA-N 0 0 455.603 4.637 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC001546133880 1068166448 /nfs/dbraw/zinc/16/64/48/1068166448.db2.gz CXIGOOMGCAYAEI-UHFFFAOYSA-N 0 0 482.547 4.826 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ccc(F)cc2)c1 ZINC001462780523 1068166454 /nfs/dbraw/zinc/16/64/54/1068166454.db2.gz FDUVAHCSQMELPN-UHFFFAOYSA-N 0 0 457.523 4.657 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc2ccccc21 ZINC001462784921 1068166921 /nfs/dbraw/zinc/16/69/21/1068166921.db2.gz MDMZUPVSMMAPCW-SFHVURJKSA-N 0 0 455.392 4.553 20 0 JJADRN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001462787576 1068167490 /nfs/dbraw/zinc/16/74/90/1068167490.db2.gz FAPQXDPSTZYYBS-WMZHIEFXSA-N 0 0 450.514 4.678 20 0 JJADRN CCC1(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546133921 1068167497 /nfs/dbraw/zinc/16/74/97/1068167497.db2.gz FJAYJPBRNVLWLQ-IBGZPJMESA-N 0 0 469.655 4.723 20 0 JJADRN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001462787574 1068167565 /nfs/dbraw/zinc/16/75/65/1068167565.db2.gz FAPQXDPSTZYYBS-CVDCTZTESA-N 0 0 450.514 4.678 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccc(F)cc1F ZINC001462792224 1068169048 /nfs/dbraw/zinc/16/90/48/1068169048.db2.gz QTVCFJMURUHKTR-VQIMIIECSA-N 0 0 452.295 4.568 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CCC1 ZINC001546134120 1068169554 /nfs/dbraw/zinc/16/95/54/1068169554.db2.gz MFPHBAVBVLRZCB-SANMLTNESA-N 0 0 467.658 4.913 20 0 JJADRN COc1cc(CNS(=O)(=O)CC[C@H]2CCc3ccccc32)ccc1OCc1ccccc1 ZINC001462795430 1068169592 /nfs/dbraw/zinc/16/95/92/1068169592.db2.gz KSVXMTCTKPDKNR-HSZRJFAPSA-N 0 0 451.588 4.814 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC001462795444 1068170174 /nfs/dbraw/zinc/17/01/74/1068170174.db2.gz KWNHZEXCVMPYNA-UHFFFAOYSA-N 0 0 456.269 4.620 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462798750 1068170692 /nfs/dbraw/zinc/17/06/92/1068170692.db2.gz YPXLYAMCPWYGMG-SJLPKXTDSA-N 0 0 451.894 4.862 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCOc1ccc2ccccc2c1 ZINC001462802167 1068171193 /nfs/dbraw/zinc/17/11/93/1068171193.db2.gz DRHNYFCGBWJIBK-UHFFFAOYSA-N 0 0 454.773 4.921 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001546134159 1068171215 /nfs/dbraw/zinc/17/12/15/1068171215.db2.gz NUXQYLATNPSATD-IBGZPJMESA-N 0 0 463.420 4.768 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)CSc1ccc(C(F)(F)F)cn1)CC2 ZINC001462802576 1068171724 /nfs/dbraw/zinc/17/17/24/1068171724.db2.gz BNKHLMXQSYZZTC-UHFFFAOYSA-N 0 0 452.498 4.674 20 0 JJADRN CCN(CC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC001462803898 1068171741 /nfs/dbraw/zinc/17/17/41/1068171741.db2.gz USJQNZYUQJPRLP-UHFFFAOYSA-N 0 0 458.624 4.606 20 0 JJADRN COC[C@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)[C@H]1CCCOC1 ZINC001462803517 1068171781 /nfs/dbraw/zinc/17/17/81/1068171781.db2.gz GFMFCURIGQYFPV-UGKGYDQZSA-N 0 0 453.970 4.673 20 0 JJADRN CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001462808986 1068172831 /nfs/dbraw/zinc/17/28/31/1068172831.db2.gz WSYPJNMOSUHBOV-UHFFFAOYSA-N 0 0 458.418 4.666 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)CCCCOc1ccc(Br)cc1 ZINC001462816090 1068175023 /nfs/dbraw/zinc/17/50/23/1068175023.db2.gz FOHSQPAMCOAMEV-UHFFFAOYSA-N 0 0 450.329 4.822 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@@H](Oc3cc(Cl)cc(Cl)c3)c3ccccc3)O2)CO1 ZINC001462816835 1068175026 /nfs/dbraw/zinc/17/50/26/1068175026.db2.gz KVJVQNMERYABLE-NXWICYHLSA-N 0 0 450.362 4.956 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546134262 1068175111 /nfs/dbraw/zinc/17/51/11/1068175111.db2.gz QYVRIPITVDXSLR-UHFFFAOYSA-N 0 0 485.629 4.646 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC001462816851 1068175788 /nfs/dbraw/zinc/17/57/88/1068175788.db2.gz NILRPUVYAKEDHV-BLLLJJGKSA-N 0 0 455.354 4.552 20 0 JJADRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)Cc2cccc(Br)c2C)cc1 ZINC001462820929 1068176252 /nfs/dbraw/zinc/17/62/52/1068176252.db2.gz ZWZRUMQBFFTVLZ-MRXNPFEDSA-N 0 0 452.414 4.897 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC001462820551 1068176265 /nfs/dbraw/zinc/17/62/65/1068176265.db2.gz XJRJPFVISZFABB-SJKOYZFVSA-N 0 0 457.470 4.562 20 0 JJADRN O=C(NCCc1ccnn1-c1ccccc1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001462821764 1068176762 /nfs/dbraw/zinc/17/67/62/1068176762.db2.gz UDONCGCZIUMYIG-UHFFFAOYSA-N 0 0 456.237 4.765 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccnc(Cl)c3c2)cc1Br ZINC001462824055 1068177366 /nfs/dbraw/zinc/17/73/66/1068177366.db2.gz DHHLERDZGTZNNI-LLVKDONJSA-N 0 0 455.761 4.699 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1Br ZINC001462825580 1068178354 /nfs/dbraw/zinc/17/83/54/1068178354.db2.gz HOJZBMCRDJGVKG-VIFPVBQESA-N 0 0 456.255 4.655 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1cc(Cl)ccc1Cl ZINC001462825973 1068178489 /nfs/dbraw/zinc/17/84/89/1068178489.db2.gz XCTDASRVJNWGQF-UHFFFAOYSA-N 0 0 457.111 4.833 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCc2cccc(COCc3ccco3)c2)s1 ZINC001462826561 1068179097 /nfs/dbraw/zinc/17/90/97/1068179097.db2.gz WKVIVMQGDQAYML-UHFFFAOYSA-N 0 0 456.383 4.607 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2cccc(Cl)c2C(=O)OC)c2ccccc2)cc1 ZINC001462827661 1068179537 /nfs/dbraw/zinc/17/95/37/1068179537.db2.gz CTMUVDVJPHXFRX-QFIPXVFZSA-N 0 0 459.951 4.593 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001462827871 1068180285 /nfs/dbraw/zinc/18/02/85/1068180285.db2.gz WZUDHBGIBJHRJJ-HXUWFJFHSA-N 0 0 451.032 4.762 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)ccc1Br ZINC001462829289 1068180938 /nfs/dbraw/zinc/18/09/38/1068180938.db2.gz DGKUDWWJPNDNBT-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c(Cl)c1Cl ZINC001462831102 1068181916 /nfs/dbraw/zinc/18/19/16/1068181916.db2.gz JVPYDTQQWQNICG-UHFFFAOYSA-N 0 0 457.310 4.807 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1Br ZINC001462830706 1068181925 /nfs/dbraw/zinc/18/19/25/1068181925.db2.gz IUCUZUSVAHKSDT-IBGZPJMESA-N 0 0 453.402 4.863 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cn2)c1 ZINC001462830454 1068181950 /nfs/dbraw/zinc/18/19/50/1068181950.db2.gz KEWSZEVPQXSYJD-UHFFFAOYSA-N 0 0 453.564 4.564 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)ccc1N1CCNC1=O ZINC001462831793 1068182618 /nfs/dbraw/zinc/18/26/18/1068182618.db2.gz RSUVJTBWPTWFBH-HSZRJFAPSA-N 0 0 456.384 4.525 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)nnn1-c1cccc(C)c1 ZINC001462831707 1068182629 /nfs/dbraw/zinc/18/26/29/1068182629.db2.gz RNIZEWTTXLSCCN-QHCPKHFHSA-N 0 0 453.384 4.884 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001462833378 1068183061 /nfs/dbraw/zinc/18/30/61/1068183061.db2.gz SNQFXYQNKRNYBW-DYESRHJHSA-N 0 0 471.623 4.695 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462832907 1068183097 /nfs/dbraw/zinc/18/30/97/1068183097.db2.gz PNUGEBXDOLDRRP-BDJLRTHQSA-N 0 0 454.354 4.942 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Br)c2ccccc2c1 ZINC001462833022 1068183121 /nfs/dbraw/zinc/18/31/21/1068183121.db2.gz YEQGUNUHDADJJP-UHFFFAOYSA-N 0 0 450.336 4.958 20 0 JJADRN CCC1(Cn2c(-c3ccccc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCOCC1 ZINC001546134424 1068183197 /nfs/dbraw/zinc/18/31/97/1068183197.db2.gz WUZLVFRDJPDWCF-QFIPXVFZSA-N 0 0 466.548 4.682 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC001462834402 1068183882 /nfs/dbraw/zinc/18/38/82/1068183882.db2.gz YHBJPHOPZCTGJK-UHFFFAOYSA-N 0 0 455.514 4.823 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)nn1-c1ccccc1F ZINC001462841098 1068186214 /nfs/dbraw/zinc/18/62/14/1068186214.db2.gz REKIWIIBEZONDE-ZDUSSCGKSA-N 0 0 451.445 4.783 20 0 JJADRN CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001462843306 1068186765 /nfs/dbraw/zinc/18/67/65/1068186765.db2.gz ZPJXOAULCWMHJC-UHFFFAOYSA-N 0 0 452.395 4.910 20 0 JJADRN O=C(Oc1ccc2cnccc2c1)c1ccc(Br)cc1I ZINC001462843321 1068186908 /nfs/dbraw/zinc/18/69/08/1068186908.db2.gz DNTOOQVSORAFIJ-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC001462845207 1068187997 /nfs/dbraw/zinc/18/79/97/1068187997.db2.gz SUNNMVQQRVFMKX-RJJIYGDHSA-N 0 0 451.407 4.826 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1C ZINC001462847037 1068188630 /nfs/dbraw/zinc/18/86/30/1068188630.db2.gz ZDTZXVQWPODYDP-NRFANRHFSA-N 0 0 453.539 4.521 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC001462846148 1068188792 /nfs/dbraw/zinc/18/87/92/1068188792.db2.gz PWWAGARNQVIEIT-VXGBXAGGSA-N 0 0 465.310 4.701 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2cc(F)ccc2OC(F)F)ccc1OC1CCCC1 ZINC001462852533 1068190516 /nfs/dbraw/zinc/19/05/16/1068190516.db2.gz VXQCSMLIQAJJBU-ZDUSSCGKSA-N 0 0 459.486 4.797 20 0 JJADRN CC(=O)NC[C@H](CC(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)CC(C)C ZINC001462852860 1068191053 /nfs/dbraw/zinc/19/10/53/1068191053.db2.gz ZANQSOSRDMJGOI-QFBILLFUSA-N 0 0 451.405 4.500 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 ZINC001462852634 1068191059 /nfs/dbraw/zinc/19/10/59/1068191059.db2.gz WKFIYMVAPGTGON-OAHLLOKOSA-N 0 0 453.988 4.856 20 0 JJADRN CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)c1 ZINC001462855880 1068192469 /nfs/dbraw/zinc/19/24/69/1068192469.db2.gz XHLKAVJMJSNSDT-GFCCVEGCSA-N 0 0 459.793 4.566 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3cc(OC)c(OC)cc3F)ccc21 ZINC001462856051 1068192944 /nfs/dbraw/zinc/19/29/44/1068192944.db2.gz UHUMWOHHFBZPKB-UHFFFAOYSA-N 0 0 456.539 4.791 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001462858909 1068193423 /nfs/dbraw/zinc/19/34/23/1068193423.db2.gz GPCCYNBISHOSAB-QGZVFWFLSA-N 0 0 459.319 4.720 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462860127 1068193986 /nfs/dbraw/zinc/19/39/86/1068193986.db2.gz DCLVEXYULJFWBO-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001462859943 1068194034 /nfs/dbraw/zinc/19/40/34/1068194034.db2.gz ITHDETDPEMYIAR-OAQYLSRUSA-N 0 0 452.576 4.845 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546134657 1068194390 /nfs/dbraw/zinc/19/43/90/1068194390.db2.gz DJTYLYIILWCYNY-VQIMIIECSA-N 0 0 458.839 4.684 20 0 JJADRN C[C@H]1Cc2cccc(S(=O)(=O)N(Cc3cccnc3)c3ccc(Br)cc3)c2O1 ZINC001462868374 1068196828 /nfs/dbraw/zinc/19/68/28/1068196828.db2.gz JAHGMVADXNBSHJ-HNNXBMFYSA-N 0 0 459.365 4.563 20 0 JJADRN COC(=O)C1(c2ccc(S(=O)(=O)N(Cc3ccc(Cl)c(Cl)c3)C(C)C)cc2)CC1 ZINC001462869957 1068197434 /nfs/dbraw/zinc/19/74/34/1068197434.db2.gz MBTGYJGGQSSOCP-UHFFFAOYSA-N 0 0 456.391 4.797 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N=[S@](C)(=O)c1ccccc1Br ZINC001462869838 1068197469 /nfs/dbraw/zinc/19/74/69/1068197469.db2.gz IDHFWIPCMAGSPJ-HHHXNRCGSA-N 0 0 454.296 4.519 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1cccc(OCc2ccccn2)c1 ZINC001462870170 1068197923 /nfs/dbraw/zinc/19/79/23/1068197923.db2.gz MQJNVFGVEMOXIK-MRXNPFEDSA-N 0 0 453.951 4.902 20 0 JJADRN CC(C)Cn1cnc(S(=O)(=O)N(Cc2ccsc2)c2ccc(Br)cc2)c1 ZINC001462871009 1068197956 /nfs/dbraw/zinc/19/79/56/1068197956.db2.gz OPMWSBBDIHBGNL-UHFFFAOYSA-N 0 0 454.415 4.759 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)N=[S@](C)(=O)c1ccccc1Br ZINC001462872863 1068198413 /nfs/dbraw/zinc/19/84/13/1068198413.db2.gz PRLLDSHOAAACGX-RUZDIDTESA-N 0 0 455.321 4.545 20 0 JJADRN CC(=O)N1CCc2ccc(S(=O)(=O)N([C@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc21 ZINC001462873976 1068199043 /nfs/dbraw/zinc/19/90/43/1068199043.db2.gz SMEDRMSAVMYCAI-CQSZACIVSA-N 0 0 452.498 4.529 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 ZINC001462876575 1068199119 /nfs/dbraw/zinc/19/91/19/1068199119.db2.gz GFLDQYZXOVAQGP-MUUNZHRXSA-N 0 0 457.349 4.999 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2ccccc2Br)cc1 ZINC001462875444 1068199428 /nfs/dbraw/zinc/19/94/28/1068199428.db2.gz XASZZGVXSZIBAK-MHZLTWQESA-N 0 0 451.386 4.618 20 0 JJADRN CCOc1cc(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)ccc1OCCOc1ccccc1 ZINC001462876324 1068199491 /nfs/dbraw/zinc/19/94/91/1068199491.db2.gz UNRNQDHQVDLTLQ-YTTGMZPUSA-N 0 0 457.523 4.979 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C ZINC001462878949 1068200674 /nfs/dbraw/zinc/20/06/74/1068200674.db2.gz MQSCDJRPOHZVQQ-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)c2cnc(Cl)cc2Cl)cc(C)c1OCC(F)(F)F ZINC001462881602 1068201659 /nfs/dbraw/zinc/20/16/59/1068201659.db2.gz VDKOPGAPBVACDM-UHFFFAOYSA-N 0 0 457.301 4.767 20 0 JJADRN CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001462882115 1068201705 /nfs/dbraw/zinc/20/17/05/1068201705.db2.gz YROAVTSASALHAA-UHFFFAOYSA-N 0 0 457.379 4.561 20 0 JJADRN CCCOc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(OCCC)c1 ZINC001462883594 1068202815 /nfs/dbraw/zinc/20/28/15/1068202815.db2.gz RBHVWUGTJSGESK-UHFFFAOYSA-N 0 0 450.457 4.968 20 0 JJADRN C[C@H]1CN(Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886495 1068203338 /nfs/dbraw/zinc/20/33/38/1068203338.db2.gz JZLYXKHZVNDQSM-NRFANRHFSA-N 0 0 456.652 4.575 20 0 JJADRN O=S(=O)(c1c2ncsc2ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001462891826 1068205003 /nfs/dbraw/zinc/20/50/03/1068205003.db2.gz ZSMMVNWTIDIEPG-HTQZYQBOSA-N 0 0 452.829 4.701 20 0 JJADRN O=S(=O)(NCc1cccc(COc2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001462892592 1068205411 /nfs/dbraw/zinc/20/54/11/1068205411.db2.gz TVZIBYRKUJTUNW-UHFFFAOYSA-N 0 0 451.466 4.685 20 0 JJADRN CO[C@H](C(=O)OCc1ccccc1I)c1ccccc1C(F)(F)F ZINC001462893623 1068205991 /nfs/dbraw/zinc/20/59/91/1068205991.db2.gz GFWONEOSLQVOOZ-HNNXBMFYSA-N 0 0 450.194 4.741 20 0 JJADRN CCOc1ccc(C2(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)CCOCC2)cc1 ZINC001462895520 1068206424 /nfs/dbraw/zinc/20/64/24/1068206424.db2.gz KVOLGKLUTBMYAL-UHFFFAOYSA-N 0 0 451.588 4.779 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)c3cc(F)ccc3Br)CCCCC2)cc1 ZINC001462895444 1068206505 /nfs/dbraw/zinc/20/65/05/1068206505.db2.gz BCNUMKZZSBOHAU-UHFFFAOYSA-N 0 0 456.377 4.777 20 0 JJADRN CSc1ncc(C(=O)OCc2ccccc2I)n1-c1ccccc1 ZINC001462896719 1068206996 /nfs/dbraw/zinc/20/69/96/1068206996.db2.gz VCUNDMKCRZXHAL-UHFFFAOYSA-N 0 0 450.301 4.556 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c(Cl)nc2sccn21 ZINC001462895843 1068207006 /nfs/dbraw/zinc/20/70/06/1068207006.db2.gz YNWOHUBERILRDR-INIZCTEOSA-N 0 0 452.388 4.965 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC001462898110 1068208195 /nfs/dbraw/zinc/20/81/95/1068208195.db2.gz AVKSGMJHAUQFAG-SFHVURJKSA-N 0 0 452.605 4.597 20 0 JJADRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1 ZINC001462900652 1068208704 /nfs/dbraw/zinc/20/87/04/1068208704.db2.gz KRLNHIBGXXLKDM-UHFFFAOYSA-N 0 0 451.850 4.631 20 0 JJADRN COc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccc(CC(F)(F)F)cc4)CC3)c2c1 ZINC001462899891 1068208788 /nfs/dbraw/zinc/20/87/88/1068208788.db2.gz KBSRDHRESRWXQC-UHFFFAOYSA-N 0 0 452.498 4.850 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(S(=O)(=O)NCC(C)(C)c3ccc(Cl)cc3)cc12 ZINC001462902319 1068209268 /nfs/dbraw/zinc/20/92/68/1068209268.db2.gz ORGZZUWOTROKGK-UHFFFAOYSA-N 0 0 454.983 4.638 20 0 JJADRN CCOC(=O)c1oc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)nc1C(F)(F)F ZINC001462904285 1068210595 /nfs/dbraw/zinc/21/05/95/1068210595.db2.gz DBEMGUYPZCCDQK-UHFFFAOYSA-N 0 0 457.792 4.750 20 0 JJADRN COC(=O)c1cc(F)c(COC(=O)c2cc(C)nc3ccc(Br)cc32)c(F)c1 ZINC001462906103 1068210948 /nfs/dbraw/zinc/21/09/48/1068210948.db2.gz IUAKTCNKEDHJBH-UHFFFAOYSA-N 0 0 450.235 4.728 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1c(C)nn2cccnc12 ZINC001462906098 1068211011 /nfs/dbraw/zinc/21/10/11/1068211011.db2.gz FVMKLGLAQLJFNR-OAQYLSRUSA-N 0 0 456.518 4.658 20 0 JJADRN CCOC(=O)c1oc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc1C(F)(F)F ZINC001462906160 1068211155 /nfs/dbraw/zinc/21/11/55/1068211155.db2.gz YGYZSYPXDKIVRJ-UHFFFAOYSA-N 0 0 459.833 4.828 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135086 1068211165 /nfs/dbraw/zinc/21/11/65/1068211165.db2.gz NCZUHLKOZZTLEG-QFBILLFUSA-N 0 0 458.839 4.684 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c1 ZINC001462910741 1068211593 /nfs/dbraw/zinc/21/15/93/1068211593.db2.gz IRQPGWVGCKWNND-GFCCVEGCSA-N 0 0 452.292 4.522 20 0 JJADRN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC001462916222 1068213186 /nfs/dbraw/zinc/21/31/86/1068213186.db2.gz MATMHBGBUPANSM-UHFFFAOYSA-N 0 0 456.995 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC001462920171 1068214861 /nfs/dbraw/zinc/21/48/61/1068214861.db2.gz NKENPYKUPCZGHS-IBGZPJMESA-N 0 0 459.930 4.755 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)nc2F)[C@H]1C ZINC001462920491 1068214887 /nfs/dbraw/zinc/21/48/87/1068214887.db2.gz KFERFVBLHOMSSR-IJEWVQPXSA-N 0 0 454.951 4.618 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cc(=O)c2ccccc2o1 ZINC001462921964 1068215445 /nfs/dbraw/zinc/21/54/45/1068215445.db2.gz GQUVHYASOIMPPZ-UHFFFAOYSA-N 0 0 459.161 4.669 20 0 JJADRN O=S(=O)(NCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001462924496 1068216676 /nfs/dbraw/zinc/21/66/76/1068216676.db2.gz JRCGBBSYXSUTQL-LBPRGKRZSA-N 0 0 450.771 4.541 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462927375 1068217127 /nfs/dbraw/zinc/21/71/27/1068217127.db2.gz FHXCCIJMMFKUBM-ZKTNYTPDSA-N 0 0 454.542 4.968 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001462927353 1068217223 /nfs/dbraw/zinc/21/72/23/1068217223.db2.gz FGZGHWBDDRZWEH-PNHOKKKMSA-N 0 0 460.496 4.938 20 0 JJADRN CCN(c1cccc(Br)c1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC001462927540 1068217601 /nfs/dbraw/zinc/21/76/01/1068217601.db2.gz OXZUNLMXDUUMJP-UHFFFAOYSA-N 0 0 451.155 4.707 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001462928188 1068217738 /nfs/dbraw/zinc/21/77/38/1068217738.db2.gz VPCFTNUCWRGDRW-HOTGVXAUSA-N 0 0 458.967 4.677 20 0 JJADRN COCc1ccc([C@H]2COCCN2C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)o1 ZINC001462931259 1068219263 /nfs/dbraw/zinc/21/92/63/1068219263.db2.gz YBPQQSHJGOPQPI-HXUWFJFHSA-N 0 0 454.571 4.571 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001462931473 1068219268 /nfs/dbraw/zinc/21/92/68/1068219268.db2.gz PUCDIGVIGVDIJN-RTBURBONSA-N 0 0 456.558 4.769 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462932010 1068219880 /nfs/dbraw/zinc/21/98/80/1068219880.db2.gz RJRCINHGFJTJSL-ICSRJNTNSA-N 0 0 456.558 4.769 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)N3CCC([C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)ccc2c1 ZINC001462932774 1068220361 /nfs/dbraw/zinc/22/03/61/1068220361.db2.gz ACBQYGPGEFWKTB-QHCPKHFHSA-N 0 0 458.624 4.948 20 0 JJADRN COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1oc2ccccc2c1Br ZINC001462934707 1068220739 /nfs/dbraw/zinc/22/07/39/1068220739.db2.gz IYKZXOTYLWBPCF-HNNXBMFYSA-N 0 0 450.354 4.600 20 0 JJADRN COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC001462934704 1068220869 /nfs/dbraw/zinc/22/08/69/1068220869.db2.gz IYJXVNABQQFKLY-LBPRGKRZSA-N 0 0 450.807 4.568 20 0 JJADRN CC(C)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001462936958 1068221361 /nfs/dbraw/zinc/22/13/61/1068221361.db2.gz MJPKVMQTRKSDRB-FQEVSTJZSA-N 0 0 452.016 4.645 20 0 JJADRN COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001462936260 1068221429 /nfs/dbraw/zinc/22/14/29/1068221429.db2.gz QCQNDDAOTGEUJP-KRWDZBQOSA-N 0 0 458.805 4.648 20 0 JJADRN COc1ccc(COCCCC(=O)Nc2ccc(I)c(C)c2C)cc1 ZINC001462937643 1068222139 /nfs/dbraw/zinc/22/21/39/1068222139.db2.gz VLMAPGPCJBHOIB-UHFFFAOYSA-N 0 0 453.320 4.852 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)c1F ZINC001462939884 1068222768 /nfs/dbraw/zinc/22/27/68/1068222768.db2.gz FFBKLCONLMAHTH-UHFFFAOYSA-N 0 0 455.287 4.973 20 0 JJADRN O=S(=O)(NCc1ccc(Br)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC001462940662 1068222907 /nfs/dbraw/zinc/22/29/07/1068222907.db2.gz BDJOBFCKDXEXBE-UHFFFAOYSA-N 0 0 458.683 4.522 20 0 JJADRN O=S(=O)(Cc1ccc(-n2cccn2)cc1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001462944744 1068223275 /nfs/dbraw/zinc/22/32/75/1068223275.db2.gz LYCUNWLSUOZMPI-XMMPIXPASA-N 0 0 453.514 4.554 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C)C[C@@H]1CCCO1 ZINC001462944527 1068223469 /nfs/dbraw/zinc/22/34/69/1068223469.db2.gz LFRLTJNJXWNVGX-PMACEKPBSA-N 0 0 451.007 4.851 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1(C)C)C[C@H]1CCCO1 ZINC001462944535 1068223504 /nfs/dbraw/zinc/22/35/04/1068223504.db2.gz LFRLTJNJXWNVGX-WOJBJXKFSA-N 0 0 451.007 4.851 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462945341 1068223897 /nfs/dbraw/zinc/22/38/97/1068223897.db2.gz BNAKTACLTRYUIZ-XIKOKIGWSA-N 0 0 457.468 4.504 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C2CC2)O1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462945660 1068223991 /nfs/dbraw/zinc/22/39/91/1068223991.db2.gz BQLCZXLXBXSHAS-GHTZIAJQSA-N 0 0 455.407 4.678 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)CCC2Cc3ccccc3C2)cc1 ZINC001462946354 1068224621 /nfs/dbraw/zinc/22/46/21/1068224621.db2.gz JCDVDWSQRKRBDM-SANMLTNESA-N 0 0 453.579 4.843 20 0 JJADRN O=S(=O)(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC001462947089 1068225084 /nfs/dbraw/zinc/22/50/84/1068225084.db2.gz TYUOSPFFMFCPGE-SFHVURJKSA-N 0 0 457.420 4.968 20 0 JJADRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001462947799 1068225089 /nfs/dbraw/zinc/22/50/89/1068225089.db2.gz UKFKBPZKAULVKE-LLVKDONJSA-N 0 0 454.392 4.588 20 0 JJADRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001462947702 1068225171 /nfs/dbraw/zinc/22/51/71/1068225171.db2.gz UALWNDYZBFZENG-GOSISDBHSA-N 0 0 451.510 4.696 20 0 JJADRN O=S(=O)(C1=Cc2ccccc2OCC1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001462949513 1068225554 /nfs/dbraw/zinc/22/55/54/1068225554.db2.gz AOHIOBGRDQRZLD-UHFFFAOYSA-N 0 0 452.345 4.706 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)N2CCC[C@H]2CC2CCCCC2)C1 ZINC001462948197 1068225586 /nfs/dbraw/zinc/22/55/86/1068225586.db2.gz LGCLJYAVGZYVQS-FCHUYYIVSA-N 0 0 453.048 4.709 20 0 JJADRN COC(=O)C1(c2ccc(S(=O)(=O)N(Cc3cccc(C(F)(F)F)c3)C(C)C)cc2)CC1 ZINC001462952489 1068226883 /nfs/dbraw/zinc/22/68/83/1068226883.db2.gz HXVRGYGWHRMVDK-UHFFFAOYSA-N 0 0 455.498 4.509 20 0 JJADRN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c21 ZINC001462953760 1068227469 /nfs/dbraw/zinc/22/74/69/1068227469.db2.gz XYWGQPLOIATBJV-XJKSGUPXSA-N 0 0 453.029 4.978 20 0 JJADRN CC[C@H](c1ccccc1)N(CC)S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462953968 1068228156 /nfs/dbraw/zinc/22/81/56/1068228156.db2.gz KDFSGBSPXUFTQV-DNQXCXABSA-N 0 0 458.624 4.981 20 0 JJADRN CSc1cccc(N(C)S(=O)(=O)c2scc(Br)c2Br)c1 ZINC001462981067 1068232144 /nfs/dbraw/zinc/23/21/44/1068232144.db2.gz RSTRGTHAITZSOL-UHFFFAOYSA-N 0 0 457.234 4.820 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3ccc4sc(C)nc4c3)n2)cc(Cl)c1OC ZINC001462969139 1068232871 /nfs/dbraw/zinc/23/28/71/1068232871.db2.gz YFLMJAZKDKWPMW-UHFFFAOYSA-N 0 0 458.927 4.897 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2ncsc2C(F)(F)F)C1 ZINC001462971255 1068233299 /nfs/dbraw/zinc/23/32/99/1068233299.db2.gz CDFOIDLZFQSKEZ-ZDUSSCGKSA-N 0 0 455.502 4.896 20 0 JJADRN CN(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc(C(F)(F)F)c1 ZINC001462973479 1068233876 /nfs/dbraw/zinc/23/38/76/1068233876.db2.gz BKHAZOVSKHNCST-OAHLLOKOSA-N 0 0 453.892 4.916 20 0 JJADRN CN(C)c1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc(C(F)(F)F)c1 ZINC001462973471 1068234012 /nfs/dbraw/zinc/23/40/12/1068234012.db2.gz BKHAZOVSKHNCST-HNNXBMFYSA-N 0 0 453.892 4.916 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC001462971921 1068234104 /nfs/dbraw/zinc/23/41/04/1068234104.db2.gz DUDOOUBAICSUOK-LJQANCHMSA-N 0 0 450.579 4.674 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(N(C)C)cc(C(F)(F)F)c3)CCCC2)cc1 ZINC001462974591 1068234916 /nfs/dbraw/zinc/23/49/16/1068234916.db2.gz FVTNOJULLBANGI-UHFFFAOYSA-N 0 0 454.514 4.805 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2)cc1Br ZINC001462978468 1068236886 /nfs/dbraw/zinc/23/68/86/1068236886.db2.gz XIYHJHYEKAEJPX-HXUWFJFHSA-N 0 0 451.386 4.714 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)Nc2nccnc2C2CC2)c1 ZINC001462978718 1068236980 /nfs/dbraw/zinc/23/69/80/1068236980.db2.gz DGNUWTASHDTAJB-UHFFFAOYSA-N 0 0 451.324 4.550 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 ZINC001462980933 1068237441 /nfs/dbraw/zinc/23/74/41/1068237441.db2.gz YQWQEVDXVWMWMX-HXUWFJFHSA-N 0 0 457.640 4.905 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)c(C)cc1Br ZINC001462981046 1068238145 /nfs/dbraw/zinc/23/81/45/1068238145.db2.gz RFTMVGJNCHVPPL-UHFFFAOYSA-N 0 0 457.821 4.985 20 0 JJADRN COc1c(F)cc(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC001462981369 1068238198 /nfs/dbraw/zinc/23/81/98/1068238198.db2.gz ISHZPTQEQIDBJL-GOSISDBHSA-N 0 0 454.361 4.828 20 0 JJADRN COc1ccccc1-n1cc(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC001462982194 1068238626 /nfs/dbraw/zinc/23/86/26/1068238626.db2.gz BJSRPRYBRALOGO-UHFFFAOYSA-N 0 0 459.999 4.715 20 0 JJADRN O=C(CC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 ZINC001462985249 1068240007 /nfs/dbraw/zinc/24/00/07/1068240007.db2.gz PDKKZGVTGPSJSE-UHFFFAOYSA-N 0 0 458.649 4.641 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 ZINC001462987057 1068241154 /nfs/dbraw/zinc/24/11/54/1068241154.db2.gz PQFVXKSGYZRSJZ-KRWDZBQOSA-N 0 0 450.336 4.811 20 0 JJADRN Cc1c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc(Br)cc1C(F)(F)F ZINC001462988560 1068241174 /nfs/dbraw/zinc/24/11/74/1068241174.db2.gz FXRCXFYJIIWAEA-UHFFFAOYSA-N 0 0 457.246 4.679 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)CCCCC1 ZINC001462989860 1068241604 /nfs/dbraw/zinc/24/16/04/1068241604.db2.gz JRAALVSPWRHZIX-UHFFFAOYSA-N 0 0 457.445 4.702 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001546135625 1068241629 /nfs/dbraw/zinc/24/16/29/1068241629.db2.gz AQPRUWVWMYXQJO-OAQYLSRUSA-N 0 0 452.521 4.674 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC001462989207 1068241692 /nfs/dbraw/zinc/24/16/92/1068241692.db2.gz NBRRBMDLTPOYDW-HSZRJFAPSA-N 0 0 452.551 4.900 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC001462989377 1068241745 /nfs/dbraw/zinc/24/17/45/1068241745.db2.gz PFDHFTJAGZVCCY-HSZRJFAPSA-N 0 0 459.587 4.599 20 0 JJADRN O=S(=O)(N[C@H]1CCCOc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001462992342 1068242146 /nfs/dbraw/zinc/24/21/46/1068242146.db2.gz HHPSXFQYRPIAJF-LBPRGKRZSA-N 0 0 451.169 4.948 20 0 JJADRN CC(C)COC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccco1 ZINC001462993120 1068242537 /nfs/dbraw/zinc/24/25/37/1068242537.db2.gz SZEZXQRJLAENSS-INIZCTEOSA-N 0 0 450.782 4.529 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)CC1 ZINC001462993267 1068242774 /nfs/dbraw/zinc/24/27/74/1068242774.db2.gz LUECTVGFVRLWSZ-UHFFFAOYSA-N 0 0 455.505 4.655 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)Cc2cc(Br)ccc2F)c(Cl)c1Cl ZINC001462997375 1068243713 /nfs/dbraw/zinc/24/37/13/1068243713.db2.gz DNSAYLPFOVQVDG-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC001462998397 1068243862 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20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N1CC2(CCCC2)c2c1cccc2F ZINC001463008524 1068248757 /nfs/dbraw/zinc/24/87/57/1068248757.db2.gz LDNVJANFQWAGJV-UHFFFAOYSA-N 0 0 454.361 4.759 20 0 JJADRN O=C(OCc1ccccc1)c1cccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC001463008053 1068248786 /nfs/dbraw/zinc/24/87/86/1068248786.db2.gz MHPSLTZXEBMBGO-UHFFFAOYSA-N 0 0 456.372 4.890 20 0 JJADRN CC1(C)C[C@@H](CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)(C)O1 ZINC001463010809 1068250370 /nfs/dbraw/zinc/25/03/70/1068250370.db2.gz YJAHEBFNQAFVLX-IBGZPJMESA-N 0 0 450.608 4.736 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463010577 1068250420 /nfs/dbraw/zinc/25/04/20/1068250420.db2.gz KRYYPUDELKUBCQ-INIZCTEOSA-N 0 0 450.204 4.799 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC001463012084 1068250960 /nfs/dbraw/zinc/25/09/60/1068250960.db2.gz XHHFWAKXVNFIEO-HNNXBMFYSA-N 0 0 457.821 4.524 20 0 JJADRN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463013174 1068250995 /nfs/dbraw/zinc/25/09/95/1068250995.db2.gz FEQBXIPJNVKMRL-SFHVURJKSA-N 0 0 450.760 4.859 20 0 JJADRN Cc1ccc(C(=O)C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)cc1 ZINC001463014152 1068251492 /nfs/dbraw/zinc/25/14/92/1068251492.db2.gz IZDNZPCNQFFZMO-UHFFFAOYSA-N 0 0 455.411 4.967 20 0 JJADRN O=C(COc1cccc(Br)c1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463017391 1068253128 /nfs/dbraw/zinc/25/31/28/1068253128.db2.gz RZLRDWMFVNNCOU-UHFFFAOYSA-N 0 0 459.565 4.829 20 0 JJADRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463023387 1068255236 /nfs/dbraw/zinc/25/52/36/1068255236.db2.gz QAJBAJJVMDIZOV-UHFFFAOYSA-N 0 0 458.665 4.968 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)NCc3ccc(Br)c(Br)c3)cc2)o1 ZINC001463024114 1068255835 /nfs/dbraw/zinc/25/58/35/1068255835.db2.gz UDMZSBHSYDRTIV-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001463025671 1068256431 /nfs/dbraw/zinc/25/64/31/1068256431.db2.gz UOGPIWVIDRDIHC-LJQANCHMSA-N 0 0 456.411 4.576 20 0 JJADRN O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC001463027336 1068256909 /nfs/dbraw/zinc/25/69/09/1068256909.db2.gz UFXUSUYWSCGCBF-JOCHJYFZSA-N 0 0 459.562 4.843 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)C1(c2ccc(F)cc2F)CCC1 ZINC001463027289 1068257009 /nfs/dbraw/zinc/25/70/09/1068257009.db2.gz YIMSMTHDBHGIIN-UHFFFAOYSA-N 0 0 454.439 4.876 20 0 JJADRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)c1 ZINC001463030636 1068257401 /nfs/dbraw/zinc/25/74/01/1068257401.db2.gz FNRYNNGMQSCZLR-UHFFFAOYSA-N 0 0 451.878 4.800 20 0 JJADRN COc1cc(I)c(C(=O)OCc2ccccc2CC(C)C)cc1OC ZINC001463035249 1068258657 /nfs/dbraw/zinc/25/86/57/1068258657.db2.gz ABTFGGWOXQNLTE-UHFFFAOYSA-N 0 0 454.304 4.864 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1S(=O)(=O)Cc1c(Br)cccc1OC ZINC001463036812 1068259390 /nfs/dbraw/zinc/25/93/90/1068259390.db2.gz QTZRGIXHGGADSG-GOSISDBHSA-N 0 0 454.386 4.523 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(F)c1F ZINC001463038076 1068259560 /nfs/dbraw/zinc/25/95/60/1068259560.db2.gz ZAEKTIFQGLNJDX-UHFFFAOYSA-N 0 0 453.514 4.664 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC001463043414 1068262317 /nfs/dbraw/zinc/26/23/17/1068262317.db2.gz UFVFZQADXODSJS-INIZCTEOSA-N 0 0 452.292 4.690 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)Cc1ccccc1Cl ZINC001463043240 1068262500 /nfs/dbraw/zinc/26/25/00/1068262500.db2.gz SQFBMGQIRVPCIT-UHFFFAOYSA-N 0 0 450.757 4.550 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@H]1CS(=O)(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001463045020 1068263075 /nfs/dbraw/zinc/26/30/75/1068263075.db2.gz VAVQDJHSGMHCDN-ZEQRLZLVSA-N 0 0 456.608 4.639 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2C1 ZINC001463047788 1068264396 /nfs/dbraw/zinc/26/43/96/1068264396.db2.gz ABUHDNPBKBNVGB-UHFFFAOYSA-N 0 0 453.370 4.857 20 0 JJADRN CC(C)COc1ccc(C(C)(C)NS(=O)(=O)Cc2ccc(Br)cc2F)cc1 ZINC001463048265 1068265075 /nfs/dbraw/zinc/26/50/75/1068265075.db2.gz MRSXSKLUOPFEKN-UHFFFAOYSA-N 0 0 458.393 4.978 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NC(C)(C)c3ccc(OCC(C)C)cc3)cc21 ZINC001463048471 1068265085 /nfs/dbraw/zinc/26/50/85/1068265085.db2.gz OSGZVTVUWWPUPI-GOSISDBHSA-N 0 0 458.624 4.795 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2C1 ZINC001463049992 1068265802 /nfs/dbraw/zinc/26/58/02/1068265802.db2.gz NXVMZNGHOUBCSF-IAGOWNOFSA-N 0 0 451.354 4.683 20 0 JJADRN CC(C)(CNS(=O)(=O)Cc1ncsc1Br)c1c(Cl)cccc1Cl ZINC001463050642 1068266381 /nfs/dbraw/zinc/26/63/81/1068266381.db2.gz VRXDTEJOMMJGFF-UHFFFAOYSA-N 0 0 458.230 4.610 20 0 JJADRN Cn1cc([C@@H]2CSCCCN2C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cn1 ZINC001463053547 1068267428 /nfs/dbraw/zinc/26/74/28/1068267428.db2.gz CZJCQLWCHPZLJA-HNNXBMFYSA-N 0 0 453.408 4.658 20 0 JJADRN O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001463055837 1068268544 /nfs/dbraw/zinc/26/85/44/1068268544.db2.gz RHBLWEGGBCPHPH-YADHBBJMSA-N 0 0 453.048 4.672 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001463057042 1068268652 /nfs/dbraw/zinc/26/86/52/1068268652.db2.gz SGKUEFMBCYQVQJ-DHIUTWEWSA-N 0 0 481.568 4.657 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC001463060721 1068270565 /nfs/dbraw/zinc/27/05/65/1068270565.db2.gz UZAKNAUQCUCWMM-UHFFFAOYSA-N 0 0 454.976 4.748 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(F)c1Br ZINC001463061745 1068271019 /nfs/dbraw/zinc/27/10/19/1068271019.db2.gz GSVQFCCFMCLGQD-INIZCTEOSA-N 0 0 456.739 4.924 20 0 JJADRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001463062402 1068271618 /nfs/dbraw/zinc/27/16/18/1068271618.db2.gz YOJLTDSEGFPTHK-MRXNPFEDSA-N 0 0 458.260 4.914 20 0 JJADRN CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463062549 1068271798 /nfs/dbraw/zinc/27/17/98/1068271798.db2.gz HDWBYOQDEBXBKX-UHFFFAOYSA-N 0 0 452.551 4.661 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001463064076 1068272152 /nfs/dbraw/zinc/27/21/52/1068272152.db2.gz LJBOLGGGOPQNEK-KRWDZBQOSA-N 0 0 451.894 4.853 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)C[C@H](C)COC2CCCC2)c1 ZINC001463063032 1068272244 /nfs/dbraw/zinc/27/22/44/1068272244.db2.gz GMENXQKRUKORQX-OAQYLSRUSA-N 0 0 458.624 4.674 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC001463063163 1068272332 /nfs/dbraw/zinc/27/23/32/1068272332.db2.gz GSECIWNHPMGEHA-LJQANCHMSA-N 0 0 458.393 4.810 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001463064083 1068272677 /nfs/dbraw/zinc/27/26/77/1068272677.db2.gz LJBOLGGGOPQNEK-QGZVFWFLSA-N 0 0 451.894 4.853 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001463066317 1068274215 /nfs/dbraw/zinc/27/42/15/1068274215.db2.gz OZCAAIRKFVAURJ-AWEZNQCLSA-N 0 0 459.033 4.741 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463067686 1068274599 /nfs/dbraw/zinc/27/45/99/1068274599.db2.gz SWBAHZLGVYISNT-UHFFFAOYSA-N 0 0 451.038 4.574 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001463069542 1068275398 /nfs/dbraw/zinc/27/53/98/1068275398.db2.gz UOPKLFISCMTVTP-JIGPKXGUSA-N 0 0 451.405 4.849 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001463069534 1068275410 /nfs/dbraw/zinc/27/54/10/1068275410.db2.gz UOPKLFISCMTVTP-GIMINZRKSA-N 0 0 451.405 4.849 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)CCc1ccccc1Br ZINC001463070100 1068276031 /nfs/dbraw/zinc/27/60/31/1068276031.db2.gz VSCLMDKMOAJGGM-JTSKRJEESA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C(C)(C)C1 ZINC001463072991 1068277304 /nfs/dbraw/zinc/27/73/04/1068277304.db2.gz MMYKXERMLDVTCH-HXUWFJFHSA-N 0 0 452.599 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C(C)(C)C1 ZINC001463074995 1068278446 /nfs/dbraw/zinc/27/84/46/1068278446.db2.gz SVCXLLKRPOXKJO-KRWDZBQOSA-N 0 0 450.004 4.768 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001463075712 1068278494 /nfs/dbraw/zinc/27/84/94/1068278494.db2.gz PJNNLOQGCJVJDY-ZDUSSCGKSA-N 0 0 458.930 4.577 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546136297 1068278536 /nfs/dbraw/zinc/27/85/36/1068278536.db2.gz ZCCHICNMNXJIBK-FQEVSTJZSA-N 0 0 451.615 4.654 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H]1c1ccccc1 ZINC001463078327 1068280093 /nfs/dbraw/zinc/28/00/93/1068280093.db2.gz CGUOGWZEHDFXSH-KRWDZBQOSA-N 0 0 450.398 4.509 20 0 JJADRN COCCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cc1 ZINC001463084293 1068281784 /nfs/dbraw/zinc/28/17/84/1068281784.db2.gz DYJIHKUPHFQFEG-QFIPXVFZSA-N 0 0 451.922 4.875 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001463089174 1068283058 /nfs/dbraw/zinc/28/30/58/1068283058.db2.gz QNTLVDXQHINNFE-HXUWFJFHSA-N 0 0 456.951 4.529 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC001463095526 1068284880 /nfs/dbraw/zinc/28/48/80/1068284880.db2.gz WDVCFURXZNMVFB-KRWDZBQOSA-N 0 0 450.757 4.926 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)c3ccc(-n4cccc4)cc3)CCCCC2)cc1OC ZINC001463094341 1068284921 /nfs/dbraw/zinc/28/49/21/1068284921.db2.gz AJZNNUGEHSJUIB-UHFFFAOYSA-N 0 0 454.592 4.675 20 0 JJADRN CCC1(Cn2c(-c3ccccc3C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001546136101 1068285509 /nfs/dbraw/zinc/28/55/09/1068285509.db2.gz QUGWCRSBXMOQQO-GOSISDBHSA-N 0 0 463.548 4.729 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)NC[C@H](C)c3ccc(Br)cc3)n2)cc1 ZINC001463099822 1068286619 /nfs/dbraw/zinc/28/66/19/1068286619.db2.gz ZBICOTMKWIPYSL-HNNXBMFYSA-N 0 0 458.356 4.750 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)Cc2ccc(C)c(C)c2)c2ccc(OC)cc2OC)cc1 ZINC001463100578 1068286659 /nfs/dbraw/zinc/28/66/59/1068286659.db2.gz XKPSRZZIQADSDH-VWLOTQADSA-N 0 0 455.576 4.538 20 0 JJADRN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)cc21 ZINC001463100307 1068286722 /nfs/dbraw/zinc/28/67/22/1068286722.db2.gz XIIXKAPVYHNWGZ-UHFFFAOYSA-N 0 0 456.564 4.593 20 0 JJADRN CC(C)CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100883 1068287459 /nfs/dbraw/zinc/28/74/59/1068287459.db2.gz YCFQVPDWPRAKAP-FYSMJZIKSA-N 0 0 453.468 4.591 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1-c1ccccc1 ZINC001463104333 1068289071 /nfs/dbraw/zinc/28/90/71/1068289071.db2.gz QVDRHDZDDCRXQS-NRFANRHFSA-N 0 0 450.970 4.819 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)c3nc4ccccc4s3)cc2)cc1 ZINC001463104888 1068289561 /nfs/dbraw/zinc/28/95/61/1068289561.db2.gz HWYDWKSHOXOBGT-HNNXBMFYSA-N 0 0 451.573 4.961 20 0 JJADRN CC[S@](=O)(=NC(=O)c1ccc(I)cc1F)c1cccc(Cl)c1 ZINC001463108619 1068290144 /nfs/dbraw/zinc/29/01/44/1068290144.db2.gz NHKOKQMVRYIYRG-JOCHJYFZSA-N 0 0 451.688 4.771 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c(F)cc1Br ZINC001463110669 1068290661 /nfs/dbraw/zinc/29/06/61/1068290661.db2.gz JZTWIWQTMPJWEH-CQSZACIVSA-N 0 0 459.381 4.584 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1 ZINC001463111215 1068291140 /nfs/dbraw/zinc/29/11/40/1068291140.db2.gz SVPPMZCRSFPCGW-WHLCRQNOSA-N 0 0 455.388 4.996 20 0 JJADRN C[C@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)c1nc2ccccc2s1 ZINC001463111912 1068291223 /nfs/dbraw/zinc/29/12/23/1068291223.db2.gz SBBJEQHXNRSYAF-BLLLJJGKSA-N 0 0 451.411 4.597 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC001463113828 1068291662 /nfs/dbraw/zinc/29/16/62/1068291662.db2.gz UVBUQIGHBDICMS-CQSZACIVSA-N 0 0 459.381 4.584 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC001463114941 1068291762 /nfs/dbraw/zinc/29/17/62/1068291762.db2.gz MKSWHKVCRVNGMK-UXHICEINSA-N 0 0 472.607 4.579 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)cc1 ZINC001463115651 1068292138 /nfs/dbraw/zinc/29/21/38/1068292138.db2.gz HMLBXUFDIWEUPE-UHFFFAOYSA-N 0 0 458.967 4.763 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1F ZINC001463116170 1068292622 /nfs/dbraw/zinc/29/26/22/1068292622.db2.gz HMIIGLUZLOBDKH-AVRDEDQJSA-N 0 0 452.507 4.715 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1F ZINC001463116201 1068292634 /nfs/dbraw/zinc/29/26/34/1068292634.db2.gz HMIIGLUZLOBDKH-XMSQKQJNSA-N 0 0 452.507 4.715 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N(CC)c3ccccc3)cc2)c1 ZINC001463118074 1068293705 /nfs/dbraw/zinc/29/37/05/1068293705.db2.gz WOWFAKYUDGRKTP-UHFFFAOYSA-N 0 0 452.576 4.808 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC001463121419 1068294347 /nfs/dbraw/zinc/29/43/47/1068294347.db2.gz OKPPUSWGYODCOT-FQEVSTJZSA-N 0 0 459.409 4.794 20 0 JJADRN CCCN([C@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463122156 1068295090 /nfs/dbraw/zinc/29/50/90/1068295090.db2.gz HWWQGJDYSFXADN-LSDHHAIUSA-N 0 0 456.805 4.846 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](CC(C)C)c2cc(Cl)ccc2OC)c1 ZINC001463121720 1068295143 /nfs/dbraw/zinc/29/51/43/1068295143.db2.gz ANMTXTUVWWGNGN-GOSISDBHSA-N 0 0 457.951 4.648 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001463123182 1068295631 /nfs/dbraw/zinc/29/56/31/1068295631.db2.gz HEWAPEBAABJEPH-UWWQBHOKSA-N 0 0 457.942 4.855 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CCC1 ZINC001463125655 1068296171 /nfs/dbraw/zinc/29/61/71/1068296171.db2.gz VKHPJLLXGJYWMV-GOSISDBHSA-N 0 0 451.405 4.820 20 0 JJADRN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC001463126224 1068296181 /nfs/dbraw/zinc/29/61/81/1068296181.db2.gz LKBAPQZLDQLSFM-WIYYLYMNSA-N 0 0 450.000 4.980 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cc4nc(C)no4)cc3)s2)cc1OC ZINC001463128734 1068296610 /nfs/dbraw/zinc/29/66/10/1068296610.db2.gz ASEKAXBUEBBKAE-UHFFFAOYSA-N 0 0 450.520 4.670 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC001463126978 1068296762 /nfs/dbraw/zinc/29/67/62/1068296762.db2.gz PSEBCRQTRQKGEB-QFYYESIMSA-N 0 0 453.185 4.810 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CC[C@H](c4nccc(C(F)(F)F)n4)C3)cc2s1 ZINC001463127038 1068296860 /nfs/dbraw/zinc/29/68/60/1068296860.db2.gz GGHSIMKEIRSIGW-NSHDSACASA-N 0 0 455.531 4.643 20 0 JJADRN COC(=O)c1cc(C)ccc1S(=O)(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001463130965 1068297270 /nfs/dbraw/zinc/29/72/70/1068297270.db2.gz CWRRAWKSTDXECH-KRWDZBQOSA-N 0 0 458.605 4.904 20 0 JJADRN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(I)c2)c1 ZINC001463132337 1068297777 /nfs/dbraw/zinc/29/77/77/1068297777.db2.gz GYHRNDWNQMVWCE-IBGZPJMESA-N 0 0 455.361 4.906 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)NC1(C)C(C)(C)C1(C)C ZINC001463238984 1068331310 /nfs/dbraw/zinc/33/13/10/1068331310.db2.gz VASDKNSYFYWYHB-UHFFFAOYSA-N 0 0 450.158 4.917 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)cn1 ZINC001463133491 1068298387 /nfs/dbraw/zinc/29/83/87/1068298387.db2.gz KUPCFKHCOPFPQT-UHFFFAOYSA-N 0 0 451.748 4.651 20 0 JJADRN COC(=O)c1csc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC001463135096 1068298564 /nfs/dbraw/zinc/29/85/64/1068298564.db2.gz KLYJALTVCYVDPS-AWEZNQCLSA-N 0 0 450.607 4.657 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(COC(C)(C)C)c1)C2=O ZINC001463134778 1068298594 /nfs/dbraw/zinc/29/85/94/1068298594.db2.gz QXMOFBKTOSYHIH-UHFFFAOYSA-N 0 0 457.615 4.857 20 0 JJADRN COC(=O)c1csc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC001463135113 1068299185 /nfs/dbraw/zinc/29/91/85/1068299185.db2.gz KLYJALTVCYVDPS-CQSZACIVSA-N 0 0 450.607 4.657 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Cl)c2)CC1)c1cnc2c(Br)csc2c1 ZINC001463138451 1068299485 /nfs/dbraw/zinc/29/94/85/1068299485.db2.gz RDHRWEKAXWBPRI-UHFFFAOYSA-N 0 0 457.802 4.722 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC(C2N=NC(=S)N2C(C)C)CC1 ZINC001463140133 1068300683 /nfs/dbraw/zinc/30/06/83/1068300683.db2.gz OZPYIEPDCJIYEU-UHFFFAOYSA-N 0 0 450.674 4.630 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@]3(C)CCCCO3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463142358 1068301025 /nfs/dbraw/zinc/30/10/25/1068301025.db2.gz FADZGWKXYAGKLF-HYZYYIOASA-N 0 0 450.579 4.563 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@]3(C)CCCCO3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463142361 1068301041 /nfs/dbraw/zinc/30/10/41/1068301041.db2.gz FADZGWKXYAGKLF-RELGLDOUSA-N 0 0 450.579 4.563 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001463144046 1068301475 /nfs/dbraw/zinc/30/14/75/1068301475.db2.gz NELMHTOMZKHYMT-AWEZNQCLSA-N 0 0 458.805 4.755 20 0 JJADRN CN1CCCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c2cc(F)ccc21 ZINC001463144014 1068301655 /nfs/dbraw/zinc/30/16/55/1068301655.db2.gz MYWZZVONMCATQY-UHFFFAOYSA-N 0 0 450.482 4.658 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001463145761 1068301918 /nfs/dbraw/zinc/30/19/18/1068301918.db2.gz ATZOFTDAMPPGOL-HNNXBMFYSA-N 0 0 452.338 4.562 20 0 JJADRN Cc1ccc(S(=O)(=O)NCC2(c3ccccc3Br)CC2)c(Br)c1 ZINC001463149541 1068302973 /nfs/dbraw/zinc/30/29/73/1068302973.db2.gz CXWQGMLTFHADRB-UHFFFAOYSA-N 0 0 459.203 4.530 20 0 JJADRN O=C(Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)c1cncc(N2CCCC2)n1 ZINC001463150943 1068304249 /nfs/dbraw/zinc/30/42/49/1068304249.db2.gz SGRYYQAZFYGCFC-UHFFFAOYSA-N 0 0 452.942 4.830 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(=O)OC(C)(C)C)c1 ZINC001463153972 1068305762 /nfs/dbraw/zinc/30/57/62/1068305762.db2.gz YPIMETLEHRAUMC-DYLHXGEVSA-N 0 0 458.599 4.531 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(=O)OC(C)(C)C)c1 ZINC001463153773 1068305964 /nfs/dbraw/zinc/30/59/64/1068305964.db2.gz YPIMETLEHRAUMC-BVFVYWQFSA-N 0 0 458.599 4.531 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001463159604 1068306622 /nfs/dbraw/zinc/30/66/22/1068306622.db2.gz HRXHCNGHAMKPLC-QFIPXVFZSA-N 0 0 452.016 4.780 20 0 JJADRN Cc1ccc(C)n1-c1c(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)cnn1C ZINC001463161040 1068307037 /nfs/dbraw/zinc/30/70/37/1068307037.db2.gz FFODNMJKIDMAPC-UHFFFAOYSA-N 0 0 457.250 4.741 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1OC ZINC001463163337 1068307590 /nfs/dbraw/zinc/30/75/90/1068307590.db2.gz DLTWPKBSNDTWLJ-YWZLYKJASA-N 0 0 451.972 4.606 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1OC ZINC001463163331 1068307610 /nfs/dbraw/zinc/30/76/10/1068307610.db2.gz DLTWPKBSNDTWLJ-MGPUTAFESA-N 0 0 451.972 4.606 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001463165418 1068308012 /nfs/dbraw/zinc/30/80/12/1068308012.db2.gz LKEVZMXHIHLIKP-FOIQADDNSA-N 0 0 455.498 4.962 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC001463167485 1068308205 /nfs/dbraw/zinc/30/82/05/1068308205.db2.gz FBYGYUPYHMUANK-UHFFFAOYSA-N 0 0 456.745 4.792 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC001463166237 1068308567 /nfs/dbraw/zinc/30/85/67/1068308567.db2.gz IFTUPFFESJWZEA-GOSISDBHSA-N 0 0 456.873 4.830 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(I)c(Cl)c1 ZINC001463170379 1068308793 /nfs/dbraw/zinc/30/87/93/1068308793.db2.gz SJVYINILPLWTRB-UHFFFAOYSA-N 0 0 459.759 4.985 20 0 JJADRN Cc1cc(Br)cc2c1N(S(=O)(=O)Cc1cccc(Br)c1)CCC2 ZINC001463168531 1068308827 /nfs/dbraw/zinc/30/88/27/1068308827.db2.gz XCQWSVFPKUVLTG-UHFFFAOYSA-N 0 0 459.203 4.803 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CC[C@H](Cc2ccccc2)C1 ZINC001463169636 1068308939 /nfs/dbraw/zinc/30/89/39/1068308939.db2.gz QFCYTTFQBHIKFO-CTNGQTDRSA-N 0 0 450.000 4.541 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)Oc1ccc(Cl)cc1 ZINC001463173391 1068309917 /nfs/dbraw/zinc/30/99/17/1068309917.db2.gz IEFXZMSOBKFOSY-AWEZNQCLSA-N 0 0 455.910 4.883 20 0 JJADRN C[C@]1(CS(=O)(=O)NCC2(c3ccc(Br)cc3)CCCC2)CC1(Cl)Cl ZINC001463178487 1068310939 /nfs/dbraw/zinc/31/09/39/1068310939.db2.gz SDJUFUAIYVWRSS-OAHLLOKOSA-N 0 0 455.245 4.764 20 0 JJADRN C[C@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC[C@H]1c1ccccc1 ZINC001463180680 1068311232 /nfs/dbraw/zinc/31/12/32/1068311232.db2.gz CRJXLZYWBPTVQK-HYLPIGKTSA-N 0 0 470.635 4.537 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc2nc(Cl)ccc2s1)[C@H](O)c1c(Cl)cccc1Cl ZINC001463180538 1068311267 /nfs/dbraw/zinc/31/12/67/1068311267.db2.gz IIKVQTGVMKNXBE-PWJLMRLQSA-N 0 0 451.784 4.657 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1ccccc1 ZINC001463181194 1068311312 /nfs/dbraw/zinc/31/13/12/1068311312.db2.gz FGILXUNPSWCYEH-HXUWFJFHSA-N 0 0 455.624 4.994 20 0 JJADRN Cc1cccc([C@H]2CCCCN2S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c1C ZINC001463180729 1068311493 /nfs/dbraw/zinc/31/14/93/1068311493.db2.gz IJYGHHNPUCFQHD-HXUWFJFHSA-N 0 0 454.514 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1ccccc1 ZINC001463181191 1068311590 /nfs/dbraw/zinc/31/15/90/1068311590.db2.gz FGILXUNPSWCYEH-FQEVSTJZSA-N 0 0 455.624 4.994 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC001463182390 1068312278 /nfs/dbraw/zinc/31/22/78/1068312278.db2.gz JJTDPCFLEPAABI-CYBMUJFWSA-N 0 0 450.885 4.565 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1Cl ZINC001463183333 1068312892 /nfs/dbraw/zinc/31/28/92/1068312892.db2.gz MEIKGUDWCNBUFL-UKRRQHHQSA-N 0 0 458.805 4.925 20 0 JJADRN CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C(F)(F)F)c1 ZINC001463186544 1068314196 /nfs/dbraw/zinc/31/41/96/1068314196.db2.gz QCUDCDUZOQZRDW-UHFFFAOYSA-N 0 0 456.408 4.775 20 0 JJADRN CC(C)(C)c1cc2n(n1)CCN(C(=O)c1cc(Oc3cccc(Br)c3)ccn1)C2 ZINC001463189066 1068314606 /nfs/dbraw/zinc/31/46/06/1068314606.db2.gz PDGRTCYUIGZYPB-UHFFFAOYSA-N 0 0 455.356 4.786 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2c2cccc(C)c2C)cnc1C(F)F ZINC001463190469 1068315087 /nfs/dbraw/zinc/31/50/87/1068315087.db2.gz ZLXZQJZLHXARDM-IBGZPJMESA-N 0 0 452.523 4.729 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C2CC2)O1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001463191338 1068315597 /nfs/dbraw/zinc/31/55/97/1068315597.db2.gz CLRCNKUWOVDNDC-LEWJYISDSA-N 0 0 455.498 4.875 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)CC=C(Cl)Cl)c2ccccc2Cl)c(OC)c1 ZINC001463193405 1068315854 /nfs/dbraw/zinc/31/58/54/1068315854.db2.gz JPVDESUKEMBDOG-GOSISDBHSA-N 0 0 450.771 4.685 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC001463194302 1068316510 /nfs/dbraw/zinc/31/65/10/1068316510.db2.gz NBXRJBFJTRVLGQ-KBPBESRZSA-N 0 0 451.386 4.500 20 0 JJADRN CC(C)(C)CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001463195746 1068316560 /nfs/dbraw/zinc/31/65/60/1068316560.db2.gz JUGBDPZCGGPEOP-FQEVSTJZSA-N 0 0 458.045 4.579 20 0 JJADRN CC(C)(C)CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001463195748 1068316723 /nfs/dbraw/zinc/31/67/23/1068316723.db2.gz JUGBDPZCGGPEOP-HXUWFJFHSA-N 0 0 458.045 4.579 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1F ZINC001463197549 1068317186 /nfs/dbraw/zinc/31/71/86/1068317186.db2.gz VZMXJIFRUHYSBQ-CYBMUJFWSA-N 0 0 454.283 4.907 20 0 JJADRN CCN([C@@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC001463197865 1068317490 /nfs/dbraw/zinc/31/74/90/1068317490.db2.gz WMOJGKLAQWQMDR-IBGZPJMESA-N 0 0 459.942 4.683 20 0 JJADRN Cc1cc([C@@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)c2ccccc2Cl)ccc1F ZINC001463199123 1068317749 /nfs/dbraw/zinc/31/77/49/1068317749.db2.gz APZPLDPSVARWCD-XMMPIXPASA-N 0 0 458.986 4.843 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1c(C)c(C)sc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463199235 1068317792 /nfs/dbraw/zinc/31/77/92/1068317792.db2.gz BZZKYWYXMYUTJU-ZDUSSCGKSA-N 0 0 450.276 4.790 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c2ccccc2O1 ZINC001463200429 1068318317 /nfs/dbraw/zinc/31/83/17/1068318317.db2.gz ZPGNXTWKTGZOMD-CYBMUJFWSA-N 0 0 450.276 4.834 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463204744 1068319047 /nfs/dbraw/zinc/31/90/47/1068319047.db2.gz DDPVCPDBPIYOTL-IAGOWNOFSA-N 0 0 458.274 4.992 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC001463205114 1068319728 /nfs/dbraw/zinc/31/97/28/1068319728.db2.gz YHNFYHLSDZOHJO-ZFWWWQNUSA-N 0 0 450.486 4.769 20 0 JJADRN COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001463205855 1068319742 /nfs/dbraw/zinc/31/97/42/1068319742.db2.gz YNKJNNCBVNMKLX-SZNDQCEHSA-N 0 0 456.951 4.504 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC001463209116 1068320621 /nfs/dbraw/zinc/32/06/21/1068320621.db2.gz IUQGFBSDOABSHA-MEDUHNTESA-N 0 0 454.495 4.826 20 0 JJADRN CCOc1ccc(S(=O)(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1C(C)C ZINC001463214033 1068322499 /nfs/dbraw/zinc/32/24/99/1068322499.db2.gz JVHPDANUBACJBW-HNNXBMFYSA-N 0 0 456.402 4.717 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccc2s1 ZINC001463217204 1068322731 /nfs/dbraw/zinc/32/27/31/1068322731.db2.gz VVHIZJMGEGRZOQ-UHFFFAOYSA-N 0 0 450.541 4.932 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1C ZINC001463217497 1068323041 /nfs/dbraw/zinc/32/30/41/1068323041.db2.gz WGDPERUHLAHFBD-SFHVURJKSA-N 0 0 453.560 4.839 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(CC)c1 ZINC001463217938 1068323519 /nfs/dbraw/zinc/32/35/19/1068323519.db2.gz ZJBCEPJLLKQUOG-NRFANRHFSA-N 0 0 454.677 4.934 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC001463219741 1068324165 /nfs/dbraw/zinc/32/41/65/1068324165.db2.gz JFSYSDWOWKCHFW-FQEVSTJZSA-N 0 0 453.507 4.902 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001463222396 1068324735 /nfs/dbraw/zinc/32/47/35/1068324735.db2.gz HGINPBNIXMZUMJ-UHFFFAOYSA-N 0 0 450.329 4.904 20 0 JJADRN CS(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1F ZINC001463223169 1068325126 /nfs/dbraw/zinc/32/51/26/1068325126.db2.gz WNXYWRYQMHSKRN-TZIWHRDSSA-N 0 0 457.633 4.521 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1C ZINC001463223142 1068325179 /nfs/dbraw/zinc/32/51/79/1068325179.db2.gz WBCVSQNFTCPMLU-IBGZPJMESA-N 0 0 455.576 4.735 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001463224039 1068325782 /nfs/dbraw/zinc/32/57/82/1068325782.db2.gz QKXBUTOSWUKZIC-XMMPIXPASA-N 0 0 452.551 4.651 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Oc3c(Br)ccc4ccccc43)CC2=O)cc1 ZINC001463224230 1068325933 /nfs/dbraw/zinc/32/59/33/1068325933.db2.gz RWLVESOCCZZVMC-QGZVFWFLSA-N 0 0 454.320 4.565 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Oc1c(Br)ccc2ccccc21 ZINC001463224265 1068325970 /nfs/dbraw/zinc/32/59/70/1068325970.db2.gz SKSXKBBSVWPCIH-UHFFFAOYSA-N 0 0 452.304 4.974 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001463225485 1068326630 /nfs/dbraw/zinc/32/66/30/1068326630.db2.gz WDMVHVOFCQWOTH-VGOFRKELSA-N 0 0 454.357 4.842 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001463224748 1068326725 /nfs/dbraw/zinc/32/67/25/1068326725.db2.gz RIFGVLNAPQPHSY-UHFFFAOYSA-N 0 0 452.576 4.566 20 0 JJADRN Cc1ccc(CS(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c(F)c1 ZINC001463228199 1068327599 /nfs/dbraw/zinc/32/75/99/1068327599.db2.gz AIIVAPDZUAXHLF-LJQANCHMSA-N 0 0 452.551 4.796 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 ZINC001463227351 1068327725 /nfs/dbraw/zinc/32/77/25/1068327725.db2.gz BKNINQQRQUKOEP-FQEVSTJZSA-N 0 0 458.967 4.647 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 ZINC001463227352 1068327821 /nfs/dbraw/zinc/32/78/21/1068327821.db2.gz BKNINQQRQUKOEP-HXUWFJFHSA-N 0 0 458.967 4.647 20 0 JJADRN O=C(NCc1ccc(-c2cnco2)cc1)c1c(F)ccc(I)c1Cl ZINC001463228421 1068327874 /nfs/dbraw/zinc/32/78/74/1068327874.db2.gz VEZLAHJKRFHWJH-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H](c1ccccc1)N1CCSCC1 ZINC001463229337 1068328184 /nfs/dbraw/zinc/32/81/84/1068328184.db2.gz ZHMOBSXROCWKCP-QHCPKHFHSA-N 0 0 453.995 4.934 20 0 JJADRN COC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(C)o1 ZINC001463228494 1068328237 /nfs/dbraw/zinc/32/82/37/1068328237.db2.gz PCANAURZTJRHQF-IBGZPJMESA-N 0 0 450.354 4.684 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c2ccccc21 ZINC001463231130 1068329048 /nfs/dbraw/zinc/32/90/48/1068329048.db2.gz KKZXNIFHLXDSMA-GOSISDBHSA-N 0 0 455.551 4.970 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC001463233385 1068329409 /nfs/dbraw/zinc/32/94/09/1068329409.db2.gz VHVOMKXWPFKJOA-UHFFFAOYSA-N 0 0 455.333 4.968 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1cc(Cl)cc(COC)c1)Oc1ccccc1C(F)(F)F ZINC001463233253 1068329742 /nfs/dbraw/zinc/32/97/42/1068329742.db2.gz BHJVALBRPFQZFS-HNNXBMFYSA-N 0 0 451.894 4.641 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C ZINC001463234926 1068330555 /nfs/dbraw/zinc/33/05/55/1068330555.db2.gz VXPWKNMILQLNRO-SFHVURJKSA-N 0 0 452.601 4.929 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)ccc1F ZINC001463236659 1068330863 /nfs/dbraw/zinc/33/08/63/1068330863.db2.gz JRLCBNWEVNNRGM-QHCPKHFHSA-N 0 0 456.539 4.506 20 0 JJADRN CC[C@H](CNS(=O)(=O)Cc1cccc(Cl)c1Br)Oc1cccc(F)c1 ZINC001463237471 1068330915 /nfs/dbraw/zinc/33/09/15/1068330915.db2.gz JXKYPUDHLGRCIQ-CQSZACIVSA-N 0 0 450.757 4.519 20 0 JJADRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001463240096 1068331738 /nfs/dbraw/zinc/33/17/38/1068331738.db2.gz PSDQUPWTUANBJW-FQEVSTJZSA-N 0 0 458.996 4.848 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001463239171 1068331751 /nfs/dbraw/zinc/33/17/51/1068331751.db2.gz QAONBCOWNHBTOY-NRFANRHFSA-N 0 0 452.389 4.788 20 0 JJADRN CCc1ccc(C(C)(C)CNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)cc1 ZINC001463239641 1068332051 /nfs/dbraw/zinc/33/20/51/1068332051.db2.gz NBHSIGJHZHTGSG-NRFANRHFSA-N 0 0 450.442 4.766 20 0 JJADRN CN1C(=O)CN(C(=O)C(C)(C)c2ccccc2Br)c2ccc(C(F)(F)F)cc21 ZINC001463243472 1068332733 /nfs/dbraw/zinc/33/27/33/1068332733.db2.gz YFVFOOUMOSBWCD-UHFFFAOYSA-N 0 0 455.274 4.755 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001463242775 1068332880 /nfs/dbraw/zinc/33/28/80/1068332880.db2.gz NYLNUMFOWCQURQ-CQOQZXRMSA-N 0 0 452.595 4.516 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463246374 1068333356 /nfs/dbraw/zinc/33/33/56/1068333356.db2.gz BQLDAJIULHXIEO-SRCQZFHVSA-N 0 0 454.352 4.595 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)c1 ZINC001463246361 1068333389 /nfs/dbraw/zinc/33/33/89/1068333389.db2.gz DKCRHHODAQSCSY-UHFFFAOYSA-N 0 0 455.917 4.926 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CCCc1ccc(Br)s1 ZINC001463247319 1068333921 /nfs/dbraw/zinc/33/39/21/1068333921.db2.gz GPOVUNMCVYHRDM-VBKZILBWSA-N 0 0 457.434 4.739 20 0 JJADRN COc1c(F)nccc1NC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001463246874 1068333986 /nfs/dbraw/zinc/33/39/86/1068333986.db2.gz NXWSJFXMJFIULN-UHFFFAOYSA-N 0 0 453.271 4.854 20 0 JJADRN CN1C(=O)CN(C(=O)C(C)(C)c2ccc(Br)cc2)c2ccc(C(F)(F)F)cc21 ZINC001463250380 1068334768 /nfs/dbraw/zinc/33/47/68/1068334768.db2.gz MRMRIDPWSPKKLE-UHFFFAOYSA-N 0 0 455.274 4.755 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC001463250947 1068335059 /nfs/dbraw/zinc/33/50/59/1068335059.db2.gz QALGGZQZRSULPU-DEOSSOPVSA-N 0 0 453.514 4.951 20 0 JJADRN CCO[C@]12CCC[C@@]1(NC(=O)c1nc(C(C)C)n(-c3c(Cl)cccc3Cl)n1)CCO2 ZINC001463250311 1068335083 /nfs/dbraw/zinc/33/50/83/1068335083.db2.gz JVPCGELSAACJGA-RTWAWAEBSA-N 0 0 453.370 4.503 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1)Oc1cccc(F)c1 ZINC001463256615 1068336587 /nfs/dbraw/zinc/33/65/87/1068336587.db2.gz RNUZNGJIMCBOFX-JOCHJYFZSA-N 0 0 456.539 4.587 20 0 JJADRN COc1cccc([C@H](NS(=O)(=O)c2cc(C)c(OC)cc2C)c2cc(F)ccc2OC)c1 ZINC001463261398 1068337291 /nfs/dbraw/zinc/33/72/91/1068337291.db2.gz DYLILCZUPDHFGT-DEOSSOPVSA-N 0 0 459.539 4.536 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC001463261860 1068337918 /nfs/dbraw/zinc/33/79/18/1068337918.db2.gz HACWIWZKDPBPHQ-FQEVSTJZSA-N 0 0 459.530 4.923 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC001463263762 1068338922 /nfs/dbraw/zinc/33/89/22/1068338922.db2.gz WCBYYVKEHMZTHC-FQEVSTJZSA-N 0 0 453.988 4.981 20 0 JJADRN CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)Cc2cc(F)ccc2Br)cc1 ZINC001463266376 1068339368 /nfs/dbraw/zinc/33/93/68/1068339368.db2.gz HJMZISMMSBVPIG-UHFFFAOYSA-N 0 0 458.349 4.506 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001463265928 1068339461 /nfs/dbraw/zinc/33/94/61/1068339461.db2.gz UHJYJKUQRQQXHA-LJQANCHMSA-N 0 0 456.782 4.988 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3F)cs2)cc1 ZINC001463271046 1068340603 /nfs/dbraw/zinc/34/06/03/1068340603.db2.gz DAISJHLTEMUURC-FQEVSTJZSA-N 0 0 454.502 4.740 20 0 JJADRN COc1ccccc1C[C@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C(C)C ZINC001463274113 1068340911 /nfs/dbraw/zinc/34/09/11/1068340911.db2.gz GLIMVYWAPATFMV-NRFANRHFSA-N 0 0 451.535 4.770 20 0 JJADRN O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1cc(N2CCOC2=O)ccc1F ZINC001463276486 1068341430 /nfs/dbraw/zinc/34/14/30/1068341430.db2.gz NQRFTHXAARKLAQ-UHFFFAOYSA-N 0 0 455.389 4.585 20 0 JJADRN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)n1 ZINC001463277525 1068342131 /nfs/dbraw/zinc/34/21/31/1068342131.db2.gz UHBKWFJQEKVAKN-OAHLLOKOSA-N 0 0 450.185 4.985 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1ccc(C)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463278840 1068342479 /nfs/dbraw/zinc/34/24/79/1068342479.db2.gz HGAMUPQEQBDYQK-QGZVFWFLSA-N 0 0 458.274 4.739 20 0 JJADRN COc1ccsc1S(=O)(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463282219 1068343492 /nfs/dbraw/zinc/34/34/92/1068343492.db2.gz ARKHQEXBKNJLHZ-SNVBAGLBSA-N 0 0 459.412 4.682 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC001463282343 1068343746 /nfs/dbraw/zinc/34/37/46/1068343746.db2.gz YPUZBESWSYXMHK-GOSISDBHSA-N 0 0 454.702 4.563 20 0 JJADRN Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2Br)c(OCCC(C)C)c1 ZINC001463286001 1068344773 /nfs/dbraw/zinc/34/47/73/1068344773.db2.gz WXONGIVDZPPDIT-UHFFFAOYSA-N 0 0 458.393 4.941 20 0 JJADRN COc1cccc(C=C2CCN(S(=O)(=O)c3c(F)cc(Br)cc3F)CC2)c1 ZINC001463286638 1068344854 /nfs/dbraw/zinc/34/48/54/1068344854.db2.gz NYLZHYUIQDZLLA-UHFFFAOYSA-N 0 0 458.324 4.604 20 0 JJADRN Cn1cc(-c2nsc(NC(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)n2)cn1 ZINC001463286863 1068345315 /nfs/dbraw/zinc/34/53/15/1068345315.db2.gz GXUXKEVZJPRRNN-UHFFFAOYSA-N 0 0 451.364 4.550 20 0 JJADRN C[C@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293085 1068347091 /nfs/dbraw/zinc/34/70/91/1068347091.db2.gz MCWKKDZDEOGYNE-MEBBXXQBSA-N 0 0 453.185 4.546 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001463294570 1068347578 /nfs/dbraw/zinc/34/75/78/1068347578.db2.gz NWOVGLGRVPQSMF-CYBMUJFWSA-N 0 0 453.889 4.583 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1OC(C)C ZINC001463294680 1068347932 /nfs/dbraw/zinc/34/79/32/1068347932.db2.gz PBMDCKZBULBPOV-KRWDZBQOSA-N 0 0 457.999 4.953 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)Oc1cc(F)ccc1Br ZINC001463295106 1068348277 /nfs/dbraw/zinc/34/82/77/1068348277.db2.gz NDJAJYNLWJDOQO-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN CN(C1CCC(C)(C)CC1)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463296479 1068348463 /nfs/dbraw/zinc/34/84/63/1068348463.db2.gz YSHNXMKXNJWCGX-UHFFFAOYSA-N 0 0 451.770 4.539 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001463297089 1068348819 /nfs/dbraw/zinc/34/88/19/1068348819.db2.gz OEHOMQNYVMMUFM-HSZRJFAPSA-N 0 0 455.624 4.871 20 0 JJADRN O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOC2(C1)CCCCCC2 ZINC001463298457 1068349078 /nfs/dbraw/zinc/34/90/78/1068349078.db2.gz WLEYVDIBLMQMRA-UHFFFAOYSA-N 0 0 457.217 4.870 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)NCc1ccccc1SC(F)(F)F ZINC001463299267 1068349198 /nfs/dbraw/zinc/34/91/98/1068349198.db2.gz PGWURGODBUNMNW-VURMDHGXSA-N 0 0 453.223 4.826 20 0 JJADRN Cc1sc(CCNS(=O)(=O)c2ccc(Br)c(F)c2)nc1-c1ccccc1 ZINC001463299999 1068349478 /nfs/dbraw/zinc/34/94/78/1068349478.db2.gz NKROVWWAWXUQLD-UHFFFAOYSA-N 0 0 455.374 4.541 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)c1c(C)sc(C)c1Br)c1ccco1 ZINC001463301821 1068350055 /nfs/dbraw/zinc/35/00/55/1068350055.db2.gz KIUBHEMXRCIWTE-KRWDZBQOSA-N 0 0 456.383 4.797 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001463309940 1068351505 /nfs/dbraw/zinc/35/15/05/1068351505.db2.gz PGDUCLDAJDNRAR-OAQYLSRUSA-N 0 0 458.002 4.953 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3c3ccc(F)cc3F)cc2N1 ZINC001463310862 1068351993 /nfs/dbraw/zinc/35/19/93/1068351993.db2.gz RSNZWQKEQKNBBX-IBGZPJMESA-N 0 0 454.926 4.809 20 0 JJADRN O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1cc(Br)c(Cl)cc1Cl ZINC001463314896 1068353257 /nfs/dbraw/zinc/35/32/57/1068353257.db2.gz OJMMDTCKJBVLMY-GFCCVEGCSA-N 0 0 457.560 4.821 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)o1 ZINC001463317520 1068353951 /nfs/dbraw/zinc/35/39/51/1068353951.db2.gz HJNOXDCJNIKXHQ-KRWDZBQOSA-N 0 0 457.548 4.902 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC001463319785 1068354214 /nfs/dbraw/zinc/35/42/14/1068354214.db2.gz KMTSUAUSBIEUQX-UHFFFAOYSA-N 0 0 459.933 4.705 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)c(C(=O)OC)c1F ZINC001463319262 1068354323 /nfs/dbraw/zinc/35/43/23/1068354323.db2.gz KWDYWULRTGMIBD-UHFFFAOYSA-N 0 0 454.292 4.813 20 0 JJADRN COC(=O)CC1(CS(=O)(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)CC1 ZINC001463319681 1068354380 /nfs/dbraw/zinc/35/43/80/1068354380.db2.gz JUTZMTYYMXOZLZ-LJQANCHMSA-N 0 0 459.608 4.807 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)c(=O)[nH]1 ZINC001463320904 1068355542 /nfs/dbraw/zinc/35/55/42/1068355542.db2.gz MCXDGSWZCIOUHV-UHFFFAOYSA-N 0 0 450.922 4.851 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC001463325587 1068357127 /nfs/dbraw/zinc/35/71/27/1068357127.db2.gz VJIUVHNAZMXVOT-UHFFFAOYSA-N 0 0 451.885 4.915 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NS(=O)(=O)c1csnc1-c1ccccc1 ZINC001463328395 1068358107 /nfs/dbraw/zinc/35/81/07/1068358107.db2.gz VIAWLQQBVRKBSK-MRXNPFEDSA-N 0 0 451.411 4.872 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2ccc(Br)cc2OC(F)F)CC1 ZINC001463329721 1068358312 /nfs/dbraw/zinc/35/83/12/1068358312.db2.gz XZRVHTHETQNQQO-UHFFFAOYSA-N 0 0 453.374 4.739 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001463328186 1068358346 /nfs/dbraw/zinc/35/83/46/1068358346.db2.gz YSMPZVOVWNDWDV-INIZCTEOSA-N 0 0 458.609 4.723 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)ccc1OC(C)C ZINC001463329971 1068358841 /nfs/dbraw/zinc/35/88/41/1068358841.db2.gz TWCWZSUIDDPKRV-UHFFFAOYSA-N 0 0 456.539 4.652 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC001463331496 1068358886 /nfs/dbraw/zinc/35/88/86/1068358886.db2.gz RRMOWPZKNMLLLI-MEBBXXQBSA-N 0 0 459.433 4.936 20 0 JJADRN COc1ccc(S(=O)(=O)N(CCc2cccc(F)c2)C2CCCC2)c(Br)c1 ZINC001463330740 1068358901 /nfs/dbraw/zinc/35/89/01/1068358901.db2.gz CGNYHOAJLZVTCS-UHFFFAOYSA-N 0 0 456.377 4.773 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3cccc(Cl)c3)[nH]c1=O)C2 ZINC001463332958 1068359196 /nfs/dbraw/zinc/35/91/96/1068359196.db2.gz ILDKAALXAQYDDP-WBAXXEDZSA-N 0 0 457.958 4.625 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cc1Br ZINC001463332192 1068359335 /nfs/dbraw/zinc/35/93/35/1068359335.db2.gz XWRBSZPRYQDMDZ-HXUWFJFHSA-N 0 0 451.386 4.550 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H](Cc2nccs2)C1 ZINC001463333330 1068359357 /nfs/dbraw/zinc/35/93/57/1068359357.db2.gz CSCFIBNULKVKAV-CYBMUJFWSA-N 0 0 451.379 4.914 20 0 JJADRN O=C(Nc1ccc(F)cc1)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001463332412 1068359383 /nfs/dbraw/zinc/35/93/83/1068359383.db2.gz ZGGDUBNVQPQEJS-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN CCOC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)c1 ZINC001463335849 1068360338 /nfs/dbraw/zinc/36/03/38/1068360338.db2.gz ZPAORTRNJQXQFE-KRWDZBQOSA-N 0 0 451.560 4.603 20 0 JJADRN COc1c(C)cc(S(=O)(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1C ZINC001463335829 1068360674 /nfs/dbraw/zinc/36/06/74/1068360674.db2.gz LMZHIRYZXTXIEK-UHFFFAOYSA-N 0 0 454.633 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(COc3cccc(F)c3)c1)C2 ZINC001463336475 1068361139 /nfs/dbraw/zinc/36/11/39/1068361139.db2.gz IZCVCTUKGTUSKP-BWAGFHJFSA-N 0 0 454.542 4.923 20 0 JJADRN Cc1cc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1NC(=O)CC(C)C ZINC001463339694 1068361709 /nfs/dbraw/zinc/36/17/09/1068361709.db2.gz QDKLOQMVWCCPRM-UHFFFAOYSA-N 0 0 457.615 4.889 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001463339829 1068361947 /nfs/dbraw/zinc/36/19/47/1068361947.db2.gz YQFQDTXJXFSXDP-UHFFFAOYSA-N 0 0 456.342 4.543 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](COc3c(C)cccc3C)C(C)(C)C)cc2F)c1 ZINC001463340514 1068362240 /nfs/dbraw/zinc/36/22/40/1068362240.db2.gz ATYMQSPQKBEVCF-JOCHJYFZSA-N 0 0 459.587 4.709 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)nc1C ZINC001463340241 1068362284 /nfs/dbraw/zinc/36/22/84/1068362284.db2.gz RVZXGOSUCVZORS-UHFFFAOYSA-N 0 0 455.561 4.530 20 0 JJADRN CN1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)c2cc(Br)ccc21 ZINC001463340299 1068362293 /nfs/dbraw/zinc/36/22/93/1068362293.db2.gz DUBAHAGBGDRGFI-INIZCTEOSA-N 0 0 450.174 4.724 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C)c1Cl ZINC001463341846 1068363160 /nfs/dbraw/zinc/36/31/60/1068363160.db2.gz HYPAGNZTZYEXEN-NSHDSACASA-N 0 0 459.870 4.608 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463343659 1068363560 /nfs/dbraw/zinc/36/35/60/1068363560.db2.gz SFJONZMUVQTFMK-AWEZNQCLSA-N 0 0 456.255 4.569 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC001463346053 1068365796 /nfs/dbraw/zinc/36/57/96/1068365796.db2.gz UCHIAPLGGKQAAH-IEBWSBKVSA-N 0 0 455.498 4.805 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463347641 1068366345 /nfs/dbraw/zinc/36/63/45/1068366345.db2.gz YGHPELIAOVSFEL-CTNGQTDRSA-N 0 0 457.514 4.739 20 0 JJADRN Cc1cc(CN(CC(C)C)S(=O)(=O)c2ccc(C)c(Cl)c2)nc(N2CCCCC2)n1 ZINC001463350312 1068367437 /nfs/dbraw/zinc/36/74/37/1068367437.db2.gz VFNCORUDVGFIEY-UHFFFAOYSA-N 0 0 451.036 4.584 20 0 JJADRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)cc1 ZINC001463351080 1068367526 /nfs/dbraw/zinc/36/75/26/1068367526.db2.gz UUTJNLPZQYFNAZ-UHFFFAOYSA-N 0 0 457.861 4.553 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)cc(Cl)c2O1 ZINC001463353649 1068367998 /nfs/dbraw/zinc/36/79/98/1068367998.db2.gz DJVGLYYEHYPKLA-NWDGAFQWSA-N 0 0 456.789 4.561 20 0 JJADRN O=S(=O)(C[C@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001463354148 1068368499 /nfs/dbraw/zinc/36/84/99/1068368499.db2.gz AFQXHTIBGWLMFJ-RHSMWYFYSA-N 0 0 457.967 4.726 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)NCC(C)(C)c1ccccc1Br)=C2 ZINC001463356992 1068369505 /nfs/dbraw/zinc/36/95/05/1068369505.db2.gz HZOYCYGEPCHSQS-UHFFFAOYSA-N 0 0 450.398 4.642 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)c1cccc(S(=O)(=O)NC(C)C)c1)C[C@H](C)C2 ZINC001463356601 1068369593 /nfs/dbraw/zinc/36/95/93/1068369593.db2.gz GELWWPKYUADKHH-CQSZACIVSA-N 0 0 454.514 4.540 20 0 JJADRN Cc1ccc2ncccc2c1S(=O)(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001463359585 1068370669 /nfs/dbraw/zinc/37/06/69/1068370669.db2.gz MXENRLAFPQFKHW-UHFFFAOYSA-N 0 0 452.526 4.954 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001463359478 1068370737 /nfs/dbraw/zinc/37/07/37/1068370737.db2.gz OYOLOTNXBUOVSI-NRFANRHFSA-N 0 0 456.562 4.509 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ncoc1-c1ccc(F)cc1)CC2 ZINC001463360147 1068371247 /nfs/dbraw/zinc/37/12/47/1068371247.db2.gz PZKXVBYGFOVJOR-OAQYLSRUSA-N 0 0 457.546 4.978 20 0 JJADRN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1 ZINC001463360390 1068371310 /nfs/dbraw/zinc/37/13/10/1068371310.db2.gz OUOFJRDOLOUHLE-AWEZNQCLSA-N 0 0 457.905 4.762 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cnc(-c2ccccc2)s1)c1ccccc1Br ZINC001463362189 1068371323 /nfs/dbraw/zinc/37/13/23/1068371323.db2.gz XDFWYOTZKMLHTG-UHFFFAOYSA-N 0 0 451.411 4.829 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001463363826 1068372651 /nfs/dbraw/zinc/37/26/51/1068372651.db2.gz ZKISAILYEAEULC-ZCNNSNEGSA-N 0 0 479.662 4.564 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1)C[C@H](C)C2 ZINC001463364528 1068372834 /nfs/dbraw/zinc/37/28/34/1068372834.db2.gz VRSGCTZESDZMNS-UKRRQHHQSA-N 0 0 457.489 4.788 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)c1c[nH]c(C(F)(F)F)c1 ZINC001463364833 1068373165 /nfs/dbraw/zinc/37/31/65/1068373165.db2.gz XWSDNBDQNDTHOI-UHFFFAOYSA-N 0 0 451.308 4.586 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2)n1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001463370088 1068374440 /nfs/dbraw/zinc/37/44/40/1068374440.db2.gz YVVMZIBRJGVAQY-QGZVFWFLSA-N 0 0 455.436 4.880 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N(C)Cc1ccn(C)n1 ZINC001463368816 1068374457 /nfs/dbraw/zinc/37/44/57/1068374457.db2.gz WGQDZZMKMJUWRQ-CBQOVEMMSA-N 0 0 457.640 4.788 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)NC(C)(C)COc2ncccc2Br)cc1 ZINC001463371391 1068375332 /nfs/dbraw/zinc/37/53/32/1068375332.db2.gz BLSJVJCQGOXTRX-UHFFFAOYSA-N 0 0 455.418 4.668 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001463372895 1068375626 /nfs/dbraw/zinc/37/56/26/1068375626.db2.gz CBUHTYULWKTAGY-HXUWFJFHSA-N 0 0 456.530 4.863 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463375000 1068376137 /nfs/dbraw/zinc/37/61/37/1068376137.db2.gz OWPPOEIBQHGRID-LJQANCHMSA-N 0 0 458.342 4.602 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001463375798 1068376567 /nfs/dbraw/zinc/37/65/67/1068376567.db2.gz NUZJSQUQTMNZHZ-DEOSSOPVSA-N 0 0 458.986 4.883 20 0 JJADRN CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1cc(Cl)c(Br)cc1C)C2 ZINC001463375062 1068376726 /nfs/dbraw/zinc/37/67/26/1068376726.db2.gz NRNUCNZJZIANRU-UHFFFAOYSA-N 0 0 458.805 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC001463377074 1068376931 /nfs/dbraw/zinc/37/69/31/1068376931.db2.gz UTVOKJSOQFSGAD-GTQCGCAASA-N 0 0 454.489 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC001463377078 1068377308 /nfs/dbraw/zinc/37/73/08/1068377308.db2.gz UTVOKJSOQFSGAD-LTTGWXLMSA-N 0 0 454.489 4.595 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463378652 1068377610 /nfs/dbraw/zinc/37/76/10/1068377610.db2.gz PKOGRUOPLIIMGF-XUZZJYLKSA-N 0 0 455.551 4.778 20 0 JJADRN CC1(C)C[C@H](NS(=O)(=O)c2oc3ccccc3c2Br)c2ccc(F)cc2O1 ZINC001463379999 1068377877 /nfs/dbraw/zinc/37/78/77/1068377877.db2.gz SZGZVXMUZARALU-AWEZNQCLSA-N 0 0 454.317 4.915 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)c2cccc(Cl)c2)cc1 ZINC001463384269 1068379712 /nfs/dbraw/zinc/37/97/12/1068379712.db2.gz UZLHWTMQUDDPOA-DEOSSOPVSA-N 0 0 455.963 4.936 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1Br ZINC001463385617 1068379724 /nfs/dbraw/zinc/37/97/24/1068379724.db2.gz LREOXCSWILNVJW-SLEUVZQESA-N 0 0 451.224 4.719 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463387532 1068380734 /nfs/dbraw/zinc/38/07/34/1068380734.db2.gz JGMJXLNTBBJDPY-ZWNOBZJWSA-N 0 0 450.807 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)/C=C\c2cnc(C(C)(C)C)s2)n1 ZINC001463389483 1068381178 /nfs/dbraw/zinc/38/11/78/1068381178.db2.gz JDTZGGLTCYZJSO-YDZSZYSISA-N 0 0 457.600 4.955 20 0 JJADRN O=S(=O)(NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC001463388267 1068381259 /nfs/dbraw/zinc/38/12/59/1068381259.db2.gz IYUOUDQQMPFWEU-UHFFFAOYSA-N 0 0 450.329 4.902 20 0 JJADRN Cc1cc(S(=O)(=O)N2CC[C@H](COc3ccccc3)C2)cc(C)c1OCc1ccccc1 ZINC001463389137 1068381275 /nfs/dbraw/zinc/38/12/75/1068381275.db2.gz DWHYZERURYAQOZ-QHCPKHFHSA-N 0 0 451.588 4.972 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccc(C)cc3)CC2)cc1Br ZINC001463388047 1068381343 /nfs/dbraw/zinc/38/13/43/1068381343.db2.gz CUJHDWAXNMZKDL-UHFFFAOYSA-N 0 0 452.414 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)n1 ZINC001463389519 1068381751 /nfs/dbraw/zinc/38/17/51/1068381751.db2.gz JDTZGGLTCYZJSO-ZNFPLGDCSA-N 0 0 457.600 4.955 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)C(F)(F)F ZINC001463393495 1068382280 /nfs/dbraw/zinc/38/22/80/1068382280.db2.gz HBIMLPXSHBPBHU-UNMCSNQZSA-N 0 0 457.496 4.872 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1coc(=O)c2ccccc12)C(F)(F)F ZINC001463394161 1068382881 /nfs/dbraw/zinc/38/28/81/1068382881.db2.gz IDLJTWJIDUIXSO-HXUWFJFHSA-N 0 0 455.436 4.671 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1coc(=O)c2ccccc12)C(F)(F)F ZINC001463394085 1068383047 /nfs/dbraw/zinc/38/30/47/1068383047.db2.gz IDLJTWJIDUIXSO-FQEVSTJZSA-N 0 0 455.436 4.671 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001463396501 1068383553 /nfs/dbraw/zinc/38/35/53/1068383553.db2.gz UPPBOFRDNJXNIA-XLIONFOSSA-N 0 0 454.571 4.765 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC001463397864 1068383859 /nfs/dbraw/zinc/38/38/59/1068383859.db2.gz NYYCGIPVYBUONV-RDGATRHJSA-N 0 0 453.560 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNS(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463399186 1068384291 /nfs/dbraw/zinc/38/42/91/1068384291.db2.gz ZPDBHOUNYLXSRA-FQEVSTJZSA-N 0 0 459.033 4.870 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C2)cc1 ZINC001463399511 1068384348 /nfs/dbraw/zinc/38/43/48/1068384348.db2.gz ZMUYPQBPRDRQLV-SFHVURJKSA-N 0 0 457.821 4.700 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 ZINC001463398482 1068384461 /nfs/dbraw/zinc/38/44/61/1068384461.db2.gz JNOUVLSPHDQAAS-ZWKNKWHESA-N 0 0 456.970 4.629 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001463400170 1068384801 /nfs/dbraw/zinc/38/48/01/1068384801.db2.gz WHGRSNVDWGXUBD-UHFFFAOYSA-N 0 0 453.520 4.816 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(OC)c2OC)c1 ZINC001463402395 1068385322 /nfs/dbraw/zinc/38/53/22/1068385322.db2.gz STIORSWOHGYUIE-QPPBQGQZSA-N 0 0 453.560 4.632 20 0 JJADRN CC1(CNS(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CCCCCC1 ZINC001463405696 1068386654 /nfs/dbraw/zinc/38/66/54/1068386654.db2.gz BLUBUVARYKBUPI-UHFFFAOYSA-N 0 0 451.770 4.588 20 0 JJADRN O=S(=O)(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc(Cl)cc(Br)c1 ZINC001463405968 1068386724 /nfs/dbraw/zinc/38/67/24/1068386724.db2.gz SWPWHHBJLARWET-OAHLLOKOSA-N 0 0 451.169 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)c2csc(-c3cccs3)n2)n1 ZINC001463412661 1068389302 /nfs/dbraw/zinc/38/93/02/1068389302.db2.gz GTSZXAFBPZNWHW-CQSZACIVSA-N 0 0 457.581 4.986 20 0 JJADRN CN(C)c1cc(C(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccccc2n1 ZINC001463412982 1068389664 /nfs/dbraw/zinc/38/96/64/1068389664.db2.gz MLXHQIPIRGJGTH-SANMLTNESA-N 0 0 452.599 4.697 20 0 JJADRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463414027 1068390075 /nfs/dbraw/zinc/39/00/75/1068390075.db2.gz XQDOBKZIGUZNIP-APPDUMDISA-N 0 0 450.757 4.605 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC ZINC001463414989 1068390326 /nfs/dbraw/zinc/39/03/26/1068390326.db2.gz WVZKIOXNZXONDG-VQIMIIECSA-N 0 0 451.560 4.621 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001463415275 1068390607 /nfs/dbraw/zinc/39/06/07/1068390607.db2.gz ZFFUCDLQNRARHF-CEQIKUNHSA-N 0 0 452.414 4.565 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1F ZINC001463417244 1068391178 /nfs/dbraw/zinc/39/11/78/1068391178.db2.gz RFDYVSPORBYCEZ-OJSRQPNCSA-N 0 0 456.518 4.738 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1F ZINC001463417248 1068391323 /nfs/dbraw/zinc/39/13/23/1068391323.db2.gz RFDYVSPORBYCEZ-XXTMNZORSA-N 0 0 456.518 4.738 20 0 JJADRN Cc1ccc2c(c1)C=C(C(=O)Nc1scc(-c3cnn(C)c3)c1C(=O)OC(C)(C)C)CO2 ZINC001463425767 1068393071 /nfs/dbraw/zinc/39/30/71/1068393071.db2.gz NFVKIECHQJGTQM-UHFFFAOYSA-N 0 0 451.548 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)c2C1 ZINC001463427147 1068393144 /nfs/dbraw/zinc/39/31/44/1068393144.db2.gz OYYHRYYJKXLOFU-HZPDHXFCSA-N 0 0 452.338 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)c2C1 ZINC001463427149 1068393173 /nfs/dbraw/zinc/39/31/73/1068393173.db2.gz OYYHRYYJKXLOFU-JKSUJKDBSA-N 0 0 452.338 4.650 20 0 JJADRN O=S(=O)(N1CCCCc2cc(Br)ccc21)C1(COCc2ccccc2)CC1 ZINC001463425415 1068393189 /nfs/dbraw/zinc/39/31/89/1068393189.db2.gz XXGOIBIJIXFTAZ-UHFFFAOYSA-N 0 0 450.398 4.671 20 0 JJADRN CN([C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001463428750 1068394230 /nfs/dbraw/zinc/39/42/30/1068394230.db2.gz DLLMBJQKGRWXRL-MOPGFXCFSA-N 0 0 451.466 4.769 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CCC1 ZINC001546138984 1068395397 /nfs/dbraw/zinc/39/53/97/1068395397.db2.gz UQMJSZUUORCFQX-OAQYLSRUSA-N 0 0 460.626 4.885 20 0 JJADRN COC(=O)c1cccc(CS(=O)(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001463431914 1068395647 /nfs/dbraw/zinc/39/56/47/1068395647.db2.gz IIKUFXDONUYSQM-PMACEKPBSA-N 0 0 455.498 4.590 20 0 JJADRN CN1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463434888 1068396048 /nfs/dbraw/zinc/39/60/48/1068396048.db2.gz QOTRURXYNZDZEG-SGTLLEGYSA-N 0 0 451.778 4.757 20 0 JJADRN O=Cc1cc(Cl)c2ccccc2c1OS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001463435217 1068396711 /nfs/dbraw/zinc/39/67/11/1068396711.db2.gz MFFDRMFFNUKASE-UHFFFAOYSA-N 0 0 457.813 4.574 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC001463435478 1068396740 /nfs/dbraw/zinc/39/67/40/1068396740.db2.gz MUBNGGGEYVJKMI-CQSZACIVSA-N 0 0 452.407 4.765 20 0 JJADRN CCOC(=O)c1csc(N2CCN(C(=O)c3cc(CC)c(-c4ccccc4)s3)CC2)n1 ZINC001463434968 1068396785 /nfs/dbraw/zinc/39/67/85/1068396785.db2.gz MXAMVIZJCLONCW-UHFFFAOYSA-N 0 0 455.605 4.573 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC2CCC2)c2ccccc2)cc1Br ZINC001463437873 1068397683 /nfs/dbraw/zinc/39/76/83/1068397683.db2.gz OIQHDEAMTPEEDK-HXUWFJFHSA-N 0 0 451.386 4.617 20 0 JJADRN CCc1ccc(C2=CCN(S(=O)(=O)c3cc(F)c(Br)cc3OC)CC2)cc1 ZINC001463441515 1068398059 /nfs/dbraw/zinc/39/80/59/1068398059.db2.gz ZBQDBXZPXAWABL-UHFFFAOYSA-N 0 0 454.361 4.637 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463442409 1068398641 /nfs/dbraw/zinc/39/86/41/1068398641.db2.gz RFUOUAZFQDDQAD-UHFFFAOYSA-N 0 0 452.776 4.998 20 0 JJADRN O=C1CCCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463442548 1068398883 /nfs/dbraw/zinc/39/88/83/1068398883.db2.gz YCRSONZQPHSSRA-HOTGVXAUSA-N 0 0 458.527 4.741 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463443407 1068398920 /nfs/dbraw/zinc/39/89/20/1068398920.db2.gz WYECHHXKNYABAS-UHFFFAOYSA-N 0 0 454.311 4.757 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC[C@@H](C)c2ccccc21 ZINC001463446519 1068399616 /nfs/dbraw/zinc/39/96/16/1068399616.db2.gz MLNGRMBUJUXPHJ-IQMFZBJNSA-N 0 0 457.452 4.587 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c(Cl)c1 ZINC001463448810 1068400350 /nfs/dbraw/zinc/40/03/50/1068400350.db2.gz RRODAYMIJBHPJK-GOSISDBHSA-N 0 0 455.736 4.705 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4cncn4C(C)(C)C)C3)cs2)cc1OC ZINC001463448609 1068400428 /nfs/dbraw/zinc/40/04/28/1068400428.db2.gz GFGXNMBKWMNGBA-KRWDZBQOSA-N 0 0 454.596 4.799 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)ccc1F ZINC001463451019 1068401754 /nfs/dbraw/zinc/40/17/54/1068401754.db2.gz CBQIYGOQSPFRMA-KRWDZBQOSA-N 0 0 457.523 4.621 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)COCC2 ZINC001463451446 1068401770 /nfs/dbraw/zinc/40/17/70/1068401770.db2.gz LDUCCJLUKFPXSV-UHFFFAOYSA-N 0 0 451.548 4.794 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)o1 ZINC001463452346 1068402047 /nfs/dbraw/zinc/40/20/47/1068402047.db2.gz MKOPOSGVBFJETJ-MRXNPFEDSA-N 0 0 457.861 4.539 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(Br)cc3c1OCC3)CCC2 ZINC001463451945 1068402154 /nfs/dbraw/zinc/40/21/54/1068402154.db2.gz QDBYCRPXPGVLAX-LJQANCHMSA-N 0 0 450.398 4.863 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1 ZINC001463452659 1068402879 /nfs/dbraw/zinc/40/28/79/1068402879.db2.gz QGVOMQPGVDUSPS-GDBMZVCRSA-N 0 0 459.564 4.536 20 0 JJADRN O=C(C[C@@H]1CCCN1S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1cccs1 ZINC001463454204 1068403464 /nfs/dbraw/zinc/40/34/64/1068403464.db2.gz PORPJCAIAKZDRB-INIZCTEOSA-N 0 0 453.532 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 ZINC001463453659 1068403491 /nfs/dbraw/zinc/40/34/91/1068403491.db2.gz QARZXPOOHSKDAG-FNORWQNLSA-N 0 0 451.489 4.972 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c(OC)c1 ZINC001463454161 1068403521 /nfs/dbraw/zinc/40/35/21/1068403521.db2.gz WFDNBPCSEKMQCT-VOTSOKGWSA-N 0 0 459.564 4.835 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)C1 ZINC001463455489 1068404320 /nfs/dbraw/zinc/40/43/20/1068404320.db2.gz SQURULCNTRPDIN-QZTJIDSGSA-N 0 0 451.430 4.674 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC001463454737 1068404426 /nfs/dbraw/zinc/40/44/26/1068404426.db2.gz RULOBUWTPVGZJW-ORAYPTAESA-N 0 0 454.061 4.786 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(I)ccc1F ZINC001463455703 1068404978 /nfs/dbraw/zinc/40/49/78/1068404978.db2.gz RWRYKWCGBLTOND-NSHDSACASA-N 0 0 458.340 4.674 20 0 JJADRN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(=O)OC(C)(C)C ZINC001463457475 1068405930 /nfs/dbraw/zinc/40/59/30/1068405930.db2.gz FQYCTQHQIIQWEZ-UGSOOPFHSA-N 0 0 456.402 4.637 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N(CC)Cc3nc4c(s3)C[C@H](C)CC4)n2)cc1 ZINC001463456807 1068405976 /nfs/dbraw/zinc/40/59/76/1068405976.db2.gz WFDFFSTZODSHGT-MRXNPFEDSA-N 0 0 454.596 4.698 20 0 JJADRN O=S(=O)(c1cccc(OC(F)F)c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001463464873 1068410225 /nfs/dbraw/zinc/41/02/25/1068410225.db2.gz DHKDCDKVQKKKAE-MRXNPFEDSA-N 0 0 450.276 4.715 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1C(C)C ZINC001463466543 1068410738 /nfs/dbraw/zinc/41/07/38/1068410738.db2.gz NCDYMCKIKCGTEC-UHFFFAOYSA-N 0 0 451.386 4.849 20 0 JJADRN CCC1(CNS(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CCCCC1 ZINC001463467176 1068410956 /nfs/dbraw/zinc/41/09/56/1068410956.db2.gz QJNRWRSQMLWGSS-UHFFFAOYSA-N 0 0 451.770 4.588 20 0 JJADRN O=C(Nc1ccccc1-c1nccs1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001463473353 1068412986 /nfs/dbraw/zinc/41/29/86/1068412986.db2.gz NFXUJIGAVIAEFO-HNNXBMFYSA-N 0 0 457.502 4.902 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001463474632 1068413668 /nfs/dbraw/zinc/41/36/68/1068413668.db2.gz QELCFUUDAQRJNS-UHFFFAOYSA-N 0 0 458.169 4.950 20 0 JJADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001463474539 1068413826 /nfs/dbraw/zinc/41/38/26/1068413826.db2.gz SREVGAFGTNGOEK-PGRDOPGGSA-N 0 0 451.954 4.583 20 0 JJADRN Cc1csc([C@H](C)CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1 ZINC001463481834 1068415814 /nfs/dbraw/zinc/41/58/14/1068415814.db2.gz AJUMQVBFTAQRJY-CYBMUJFWSA-N 0 0 451.411 4.963 20 0 JJADRN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001463482532 1068415836 /nfs/dbraw/zinc/41/58/36/1068415836.db2.gz FFWQJLYQFGKXOP-SFHVURJKSA-N 0 0 453.898 4.974 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)cnc1Cl ZINC001463485892 1068416308 /nfs/dbraw/zinc/41/63/08/1068416308.db2.gz KRJZHTVJKVDXKV-QGZVFWFLSA-N 0 0 450.923 4.539 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCc3cc(C(C)C)ccc3C2)C1 ZINC001463486217 1068416378 /nfs/dbraw/zinc/41/63/78/1068416378.db2.gz ZGCIUJYNZFPSSV-SHQCIBLASA-N 0 0 450.579 4.511 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(c2ccccc2C)CC1 ZINC001463487269 1068417133 /nfs/dbraw/zinc/41/71/33/1068417133.db2.gz HGVCHIAXFHPIPO-UHFFFAOYSA-N 0 0 458.805 4.988 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C)c1I ZINC001463488638 1068417189 /nfs/dbraw/zinc/41/71/89/1068417189.db2.gz AQACYUMZDWQRGR-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C(F)(F)F)c1)c1ccccc1 ZINC001463491234 1068417793 /nfs/dbraw/zinc/41/77/93/1068417793.db2.gz LJXUVAFHYBYKMQ-GUXCAODWSA-N 0 0 454.514 4.529 20 0 JJADRN CCOc1ccc2ccccc2c1OS(=O)(=O)Cc1c(Br)cccc1OC ZINC001463495208 1068418624 /nfs/dbraw/zinc/41/86/24/1068418624.db2.gz KZGYIDMPPMUGCZ-UHFFFAOYSA-N 0 0 451.338 4.918 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC001463495319 1068419158 /nfs/dbraw/zinc/41/91/58/1068419158.db2.gz CEADVXKEBUJQAI-HXUWFJFHSA-N 0 0 451.466 4.907 20 0 JJADRN Cc1cc2ccc(C)nc2c(OS(=O)(=O)c2ccc(C)c(I)c2)c1 ZINC001463498479 1068419855 /nfs/dbraw/zinc/41/98/55/1068419855.db2.gz HIIPGATYZSFKTR-UHFFFAOYSA-N 0 0 453.301 4.532 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001463497845 1068419873 /nfs/dbraw/zinc/41/98/73/1068419873.db2.gz FRLVTCGCIJTGDO-WBAXXEDZSA-N 0 0 450.963 4.562 20 0 JJADRN C/C(=C/C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001463500701 1068420512 /nfs/dbraw/zinc/42/05/12/1068420512.db2.gz JGBBTJBSYGZJKV-WQLSENKSSA-N 0 0 451.388 4.719 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N[C@H](CCO)c2ccccc2Br)c(CC)c1 ZINC001463500126 1068420532 /nfs/dbraw/zinc/42/05/32/1068420532.db2.gz BYSLEFLKAZDBEJ-HXUWFJFHSA-N 0 0 454.430 4.538 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)c2cccc(Cl)c2O1 ZINC001463502840 1068420997 /nfs/dbraw/zinc/42/09/97/1068420997.db2.gz XOMUEDMJOBMBIC-VIFPVBQESA-N 0 0 452.704 4.747 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001463505085 1068421867 /nfs/dbraw/zinc/42/18/67/1068421867.db2.gz LBFJSUAQAVVTJP-JOCHJYFZSA-N 0 0 456.539 4.540 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001463505087 1068421948 /nfs/dbraw/zinc/42/19/48/1068421948.db2.gz LBFJSUAQAVVTJP-QFIPXVFZSA-N 0 0 456.539 4.540 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001463506766 1068422542 /nfs/dbraw/zinc/42/25/42/1068422542.db2.gz SFEUENVWKXUQBI-QHCPKHFHSA-N 0 0 453.608 4.549 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001463505911 1068422570 /nfs/dbraw/zinc/42/25/70/1068422570.db2.gz NIOQDROIVYJNOC-CYBMUJFWSA-N 0 0 452.320 4.979 20 0 JJADRN O=S(=O)(NCC1(c2cccc(F)c2F)CCCC1)c1cccc(OC(F)(F)F)c1F ZINC001463506005 1068422667 /nfs/dbraw/zinc/42/26/67/1068422667.db2.gz MOJFLVWWGYJFQQ-UHFFFAOYSA-N 0 0 453.404 4.793 20 0 JJADRN CN1CCCc2ccc(S(=O)(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc21 ZINC001463507577 1068423145 /nfs/dbraw/zinc/42/31/45/1068423145.db2.gz WPFDHGZWJBTNGV-QGZVFWFLSA-N 0 0 452.420 4.670 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCc3ccccc3OCCC(C)C)ccc21 ZINC001463508296 1068423274 /nfs/dbraw/zinc/42/32/74/1068423274.db2.gz CVBXRQSPGDTUFP-UHFFFAOYSA-N 0 0 458.624 4.624 20 0 JJADRN O=C(N[C@H]1C[C@]2(CCOC2)Oc2ccccc21)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463513995 1068425214 /nfs/dbraw/zinc/42/52/14/1068425214.db2.gz UKVRJBABCLBOHU-LPHOPBHVSA-N 0 0 456.258 4.881 20 0 JJADRN C[C@H](CN(C)S(=O)(=O)C1(COCc2ccccc2)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC001463516360 1068425900 /nfs/dbraw/zinc/42/59/00/1068425900.db2.gz UVUFORGFVKWTFU-MRXNPFEDSA-N 0 0 458.407 4.772 20 0 JJADRN CCN(C(=O)COc1ccc2oc3c(c2c1)CCCC3)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463515720 1068425935 /nfs/dbraw/zinc/42/59/35/1068425935.db2.gz XQHVFBUBOTXEPQ-SFHVURJKSA-N 0 0 456.583 4.938 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)Oc1ccc(-c2c(C)noc2C)cc1 ZINC001463516975 1068425997 /nfs/dbraw/zinc/42/59/97/1068425997.db2.gz BZIFHSAAJARWHM-UHFFFAOYSA-N 0 0 452.326 4.806 20 0 JJADRN Cc1nnc2n1CCN(C(=O)C(C)(C)c1csc(-c3c(Cl)cccc3Cl)n1)[C@H]2C ZINC001463519761 1068426628 /nfs/dbraw/zinc/42/66/28/1068426628.db2.gz UXFHGARNRPGBNI-NSHDSACASA-N 0 0 450.395 4.898 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001463518451 1068426695 /nfs/dbraw/zinc/42/66/95/1068426695.db2.gz QSAVHYALYTVIAS-HSZRJFAPSA-N 0 0 450.604 4.821 20 0 JJADRN O=S(=O)(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(F)ccc1Br ZINC001463530174 1068429436 /nfs/dbraw/zinc/42/94/36/1068429436.db2.gz WPFUAMASSIMAAC-UHFFFAOYSA-N 0 0 452.267 4.617 20 0 JJADRN O=S(=O)(Oc1ccc(Oc2ccc(Br)cn2)cc1)c1cccc2cnccc21 ZINC001463531589 1068429450 /nfs/dbraw/zinc/42/94/50/1068429450.db2.gz CLRATBVLCKFIBC-UHFFFAOYSA-N 0 0 457.305 4.952 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)c1ccc(Cl)cc1F ZINC001463532405 1068430089 /nfs/dbraw/zinc/43/00/89/1068430089.db2.gz DFZUGZZYFVLANX-QKKBWIMNSA-N 0 0 459.942 4.709 20 0 JJADRN CC[C@@H](CN(C)S(=O)(=O)CCc1c(F)cccc1F)Oc1ccc(Cl)c(Cl)c1 ZINC001463532708 1068430159 /nfs/dbraw/zinc/43/01/59/1068430159.db2.gz LGNXTNKKNGRAFJ-ZDUSSCGKSA-N 0 0 452.350 4.933 20 0 JJADRN CN(CC(=O)Nc1ccccc1NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1C=O ZINC001463534160 1068431454 /nfs/dbraw/zinc/43/14/54/1068431454.db2.gz DAVBVFRTFFXRRU-UHFFFAOYSA-N 0 0 455.436 4.845 20 0 JJADRN O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463534207 1068431491 /nfs/dbraw/zinc/43/14/91/1068431491.db2.gz DEXIBYZQWMLERX-HXUWFJFHSA-N 0 0 453.420 4.771 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC001463537154 1068433070 /nfs/dbraw/zinc/43/30/70/1068433070.db2.gz DRIKAYOFTCUOFZ-RTBURBONSA-N 0 0 453.587 4.549 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C(C)C ZINC001463545202 1068436672 /nfs/dbraw/zinc/43/66/72/1068436672.db2.gz YGOMSRSPTLYEHR-CTNGQTDRSA-N 0 0 458.407 4.794 20 0 JJADRN Cc1cc(Br)ccc1S(=O)(=O)Oc1cnc2ccc(Br)cc2c1 ZINC001463546728 1068437383 /nfs/dbraw/zinc/43/73/83/1068437383.db2.gz UTCOGXSFBJKWLL-UHFFFAOYSA-N 0 0 457.143 4.836 20 0 JJADRN O=S(=O)(CCc1c(F)cccc1F)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001463547669 1068438058 /nfs/dbraw/zinc/43/80/58/1068438058.db2.gz XEIBTKPZXBDBBF-SFHVURJKSA-N 0 0 451.482 4.646 20 0 JJADRN O=S(=O)(c1cnc(Cl)cc1Cl)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001463548016 1068438104 /nfs/dbraw/zinc/43/81/04/1068438104.db2.gz ZGHXYBNICHDHOD-CYBMUJFWSA-N 0 0 457.326 4.886 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)Oc3cccc4ccc(Cl)nc43)cc21 ZINC001463548818 1068438106 /nfs/dbraw/zinc/43/81/06/1068438106.db2.gz VPXFQXDAJWMWGD-UHFFFAOYSA-N 0 0 451.729 4.910 20 0 JJADRN O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463549781 1068438121 /nfs/dbraw/zinc/43/81/21/1068438121.db2.gz MVPGXLMLLNYDAA-UHFFFAOYSA-N 0 0 451.386 4.703 20 0 JJADRN COc1c(C)cc(S(=O)(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)cc1C ZINC001463551195 1068438774 /nfs/dbraw/zinc/43/87/74/1068438774.db2.gz FRNKVNNFHJLJAF-UHFFFAOYSA-N 0 0 459.608 4.836 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H](c3ccccc3)C(F)(F)F)ccc2s1 ZINC001463557211 1068441027 /nfs/dbraw/zinc/44/10/27/1068441027.db2.gz YBVDRTXEJSTHBB-MRXNPFEDSA-N 0 0 457.495 4.702 20 0 JJADRN Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)Cc2ccc(Br)cc2C)n1 ZINC001463559909 1068442680 /nfs/dbraw/zinc/44/26/80/1068442680.db2.gz SSGOBJYCZGMNLN-UHFFFAOYSA-N 0 0 457.733 4.678 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001463561038 1068443287 /nfs/dbraw/zinc/44/32/87/1068443287.db2.gz NHUNXHKCQQTYHW-CABCVRRESA-N 0 0 458.805 4.801 20 0 JJADRN CC[C@H](CN(CC)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)c1ccccc1 ZINC001463562178 1068444098 /nfs/dbraw/zinc/44/40/98/1068444098.db2.gz SGKUNGPHFGMZHO-MRXNPFEDSA-N 0 0 453.402 4.612 20 0 JJADRN Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC001463564167 1068445718 /nfs/dbraw/zinc/44/57/18/1068445718.db2.gz MNFJVNFNGOAUTN-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN Cc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463565434 1068446621 /nfs/dbraw/zinc/44/66/21/1068446621.db2.gz RPNQTTMABSODQL-UHFFFAOYSA-N 0 0 450.894 4.909 20 0 JJADRN Cc1ccc(NC(=O)c2cccnc2NC(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463564893 1068446720 /nfs/dbraw/zinc/44/67/20/1068446720.db2.gz PCVSEUDGVZUZMO-UHFFFAOYSA-N 0 0 458.971 4.917 20 0 JJADRN O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463567600 1068448167 /nfs/dbraw/zinc/44/81/67/1068448167.db2.gz ARDGGKDXODZDGX-UHFFFAOYSA-N 0 0 451.283 4.627 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NCCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001463567026 1068448240 /nfs/dbraw/zinc/44/82/40/1068448240.db2.gz ITNIQMCXLGSMRP-UHFFFAOYSA-N 0 0 451.951 4.919 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)c(C)c1 ZINC001463568894 1068448914 /nfs/dbraw/zinc/44/89/14/1068448914.db2.gz VZFKPSQQGAAADC-UHFFFAOYSA-N 0 0 454.567 4.833 20 0 JJADRN O=S(=O)(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc(OC(F)F)c1 ZINC001463569100 1068449793 /nfs/dbraw/zinc/44/97/93/1068449793.db2.gz PZYPJXYDUSQNMY-MRXNPFEDSA-N 0 0 450.276 4.619 20 0 JJADRN O=C(N1CCN(Cc2ccc(Br)s2)CC1)C1(Cc2ccccc2Cl)CC1 ZINC001463570461 1068450320 /nfs/dbraw/zinc/45/03/20/1068450320.db2.gz PCINPJBBTDDLDV-UHFFFAOYSA-N 0 0 453.833 4.831 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(C)C(=O)OC(C)(C)C ZINC001463574828 1068452357 /nfs/dbraw/zinc/45/23/57/1068452357.db2.gz QZNIDEJDNKBYFB-IBGZPJMESA-N 0 0 457.537 4.636 20 0 JJADRN CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-c4ccccc4)c(C)c3)c(Cl)cc21 ZINC001463578342 1068453165 /nfs/dbraw/zinc/45/31/65/1068453165.db2.gz RISNKHJKTNQXLN-UHFFFAOYSA-N 0 0 454.979 4.703 20 0 JJADRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc2nc(Cl)ccc2s1 ZINC001463580095 1068454572 /nfs/dbraw/zinc/45/45/72/1068454572.db2.gz UQCMDNRZVAFEDP-AWEZNQCLSA-N 0 0 452.001 4.768 20 0 JJADRN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001463580408 1068454595 /nfs/dbraw/zinc/45/45/95/1068454595.db2.gz WNEBISHRRSSDKY-UHFFFAOYSA-N 0 0 451.869 4.863 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3CCCC4(CC4)C3)c2)cc1 ZINC001463583472 1068456276 /nfs/dbraw/zinc/45/62/76/1068456276.db2.gz RUENGUKTXXPCLH-QGZVFWFLSA-N 0 0 458.580 4.804 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)cc1 ZINC001463585338 1068456872 /nfs/dbraw/zinc/45/68/72/1068456872.db2.gz YACJVUVTXKCZEU-UHFFFAOYSA-N 0 0 459.539 4.633 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)S(=O)(=O)N2CCCC[C@H]2C)c(Br)c1 ZINC001463584907 1068456884 /nfs/dbraw/zinc/45/68/84/1068456884.db2.gz WOWCLXZGBDZKPN-MRXNPFEDSA-N 0 0 457.459 4.940 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1Cl ZINC001463587870 1068458115 /nfs/dbraw/zinc/45/81/15/1068458115.db2.gz ADZKIMRDLIWBPP-LJQANCHMSA-N 0 0 451.416 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)OCc3ccc(Br)cc3)C2)C1 ZINC001463588655 1068458306 /nfs/dbraw/zinc/45/83/06/1068458306.db2.gz JYCGBZUPFWABTE-NRFANRHFSA-N 0 0 453.377 4.809 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC001463603993 1068462509 /nfs/dbraw/zinc/46/25/09/1068462509.db2.gz GNPAULSFEVQFBJ-CYBMUJFWSA-N 0 0 454.777 4.504 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3cccc(O)c3)c2n1 ZINC001463604548 1068462627 /nfs/dbraw/zinc/46/26/27/1068462627.db2.gz BRIDCMBPIMDOED-UHFFFAOYSA-N 0 0 456.424 4.778 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001463605492 1068463363 /nfs/dbraw/zinc/46/33/63/1068463363.db2.gz BSTIITVCTZOHKJ-MAUKXSAKSA-N 0 0 450.329 4.584 20 0 JJADRN COCCc1cccc(OS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 ZINC001463606250 1068463368 /nfs/dbraw/zinc/46/33/68/1068463368.db2.gz KNRJCPSOBQQOBB-UHFFFAOYSA-N 0 0 454.367 4.529 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 ZINC001463606299 1068463422 /nfs/dbraw/zinc/46/34/22/1068463422.db2.gz BIMFBMFVHWSREB-SNVBAGLBSA-N 0 0 451.155 4.699 20 0 JJADRN C[C@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1ccc(Br)cc1 ZINC001463612929 1068467157 /nfs/dbraw/zinc/46/71/57/1068467157.db2.gz FLRIAHLARGHQTA-JTQLQIEISA-N 0 0 459.159 4.997 20 0 JJADRN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC001463615345 1068467683 /nfs/dbraw/zinc/46/76/83/1068467683.db2.gz YTRPLGDRZLPMCK-UHFFFAOYSA-N 0 0 452.576 4.995 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001463615139 1068467804 /nfs/dbraw/zinc/46/78/04/1068467804.db2.gz VKLNHXZERDTTGH-UHFFFAOYSA-N 0 0 458.514 4.729 20 0 JJADRN O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC001463619248 1068468683 /nfs/dbraw/zinc/46/86/83/1068468683.db2.gz SIKOZLQOLYBZRA-MSOLQXFVSA-N 0 0 457.445 4.652 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001463621460 1068469324 /nfs/dbraw/zinc/46/93/24/1068469324.db2.gz AVHLWDWZTKTXEF-UKRRQHHQSA-N 0 0 458.805 4.986 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)cc2c1C ZINC001463621370 1068469348 /nfs/dbraw/zinc/46/93/48/1068469348.db2.gz ATMHSWBEZPWFHI-CRAIPNDOSA-N 0 0 458.605 4.657 20 0 JJADRN Cc1cnc(F)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463621674 1068470074 /nfs/dbraw/zinc/47/00/74/1068470074.db2.gz XLSOWSCWQMPWIA-UHFFFAOYSA-N 0 0 453.417 4.601 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 ZINC001463623200 1068470715 /nfs/dbraw/zinc/47/07/15/1068470715.db2.gz BZAANKGENSYMRJ-CQSZACIVSA-N 0 0 458.923 4.612 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001463624166 1068470848 /nfs/dbraw/zinc/47/08/48/1068470848.db2.gz GTXQKROYRDQKRF-UHFFFAOYSA-N 0 0 458.845 4.683 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001463625674 1068472186 /nfs/dbraw/zinc/47/21/86/1068472186.db2.gz MRCDHDFUALDNOH-UHFFFAOYSA-N 0 0 451.792 4.604 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001463625859 1068472222 /nfs/dbraw/zinc/47/22/22/1068472222.db2.gz VFFXEIMAGXBTPV-SZMVWBNQSA-N 0 0 453.963 4.652 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)CC2 ZINC001463627459 1068473496 /nfs/dbraw/zinc/47/34/96/1068473496.db2.gz SBHKNIRZCJWNSR-IBGZPJMESA-N 0 0 456.951 4.818 20 0 JJADRN C[C@H](COCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 ZINC001463627250 1068473514 /nfs/dbraw/zinc/47/35/14/1068473514.db2.gz WLHFQAVDBJNKHT-QGZVFWFLSA-N 0 0 458.967 4.900 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001463628902 1068474183 /nfs/dbraw/zinc/47/41/83/1068474183.db2.gz HAPCWBPTAWMOHO-UHFFFAOYSA-N 0 0 455.805 4.647 20 0 JJADRN O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463628354 1068474213 /nfs/dbraw/zinc/47/42/13/1068474213.db2.gz VCQAESJCCOFVJC-UHFFFAOYSA-N 0 0 457.914 4.873 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c2cccnc12 ZINC001463628447 1068474282 /nfs/dbraw/zinc/47/42/82/1068474282.db2.gz RSXXIFCTYWIKKT-UHFFFAOYSA-N 0 0 450.482 4.546 20 0 JJADRN Cc1cccc(Cl)c1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001463631108 1068475558 /nfs/dbraw/zinc/47/55/58/1068475558.db2.gz GIZRSIJGRKBPOB-UHFFFAOYSA-N 0 0 453.004 4.754 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(Cl)c1 ZINC001463633415 1068476323 /nfs/dbraw/zinc/47/63/23/1068476323.db2.gz MWXSJJHSXIJOJN-UHFFFAOYSA-N 0 0 453.004 4.754 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1Cl ZINC001463635026 1068476978 /nfs/dbraw/zinc/47/69/78/1068476978.db2.gz SZJUVJIHRFIFJT-UHFFFAOYSA-N 0 0 453.004 4.754 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)cc2)cc1 ZINC001463636558 1068477063 /nfs/dbraw/zinc/47/70/63/1068477063.db2.gz VRGMUJDVSPIZPV-KRWDZBQOSA-N 0 0 454.523 4.783 20 0 JJADRN O=S(=O)(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cc(F)ccc1Cl ZINC001463639145 1068478281 /nfs/dbraw/zinc/47/82/81/1068478281.db2.gz DIJAOBRDVYXUAR-UHFFFAOYSA-N 0 0 459.680 4.592 20 0 JJADRN CN1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639896 1068478298 /nfs/dbraw/zinc/47/82/98/1068478298.db2.gz JPXOUOZZKTYREZ-OAQYLSRUSA-N 0 0 452.542 4.999 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001463647482 1068480117 /nfs/dbraw/zinc/48/01/17/1068480117.db2.gz CNWHNHZBAWUYMQ-HXUWFJFHSA-N 0 0 452.357 4.584 20 0 JJADRN O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N(Cc1cccc(Br)c1)CC1CC1 ZINC001463656309 1068484303 /nfs/dbraw/zinc/48/43/03/1068484303.db2.gz CHUOMMJAJFBSSZ-UHFFFAOYSA-N 0 0 454.777 4.580 20 0 JJADRN O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC001463656394 1068484425 /nfs/dbraw/zinc/48/44/25/1068484425.db2.gz ORFYZNGWGKBPGO-LBPRGKRZSA-N 0 0 454.535 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)C[C@H]1[C@@H]1CCCO1 ZINC001463658224 1068485068 /nfs/dbraw/zinc/48/50/68/1068485068.db2.gz ZXGSKQSCGQOROM-WBAXXEDZSA-N 0 0 453.377 4.582 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)sc2cccc(F)c12 ZINC001463660819 1068485609 /nfs/dbraw/zinc/48/56/09/1068485609.db2.gz LKEQLTVSTYGJHV-RVZJWNSFSA-N 0 0 456.605 4.661 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC001463659718 1068485635 /nfs/dbraw/zinc/48/56/35/1068485635.db2.gz UEJJTJRLHPNJEK-UHFFFAOYSA-N 0 0 455.761 4.719 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001463661521 1068486416 /nfs/dbraw/zinc/48/64/16/1068486416.db2.gz MCLITAGJOWLRLL-VCBZYWHSSA-N 0 0 453.004 4.806 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H](c3ccc(C)cc3C)C2)cc1Cl ZINC001463662641 1068487144 /nfs/dbraw/zinc/48/71/44/1068487144.db2.gz DDQHQYVWDILTNU-INIZCTEOSA-N 0 0 458.407 4.814 20 0 JJADRN CC(C)Oc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc(Br)cc1Cl ZINC001463662660 1068487168 /nfs/dbraw/zinc/48/71/68/1068487168.db2.gz HTXSOSIZUCDVNB-UHFFFAOYSA-N 0 0 450.757 4.850 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nc(C(C)(C)C)cs3)ccc2C)cc1 ZINC001463664257 1068487656 /nfs/dbraw/zinc/48/76/56/1068487656.db2.gz HDLSZJCNOWREKC-UHFFFAOYSA-N 0 0 459.593 4.811 20 0 JJADRN C=CC(=O)N1CCC(C(=O)Nc2ccc(OCCC)c(OCCC)c2)(c2ccccc2)CC1 ZINC001463674051 1068490462 /nfs/dbraw/zinc/49/04/62/1068490462.db2.gz HNWPPNMZFMBVCL-UHFFFAOYSA-N 0 0 450.579 4.949 20 0 JJADRN CCOc1ccc(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1OCC ZINC001463676097 1068490518 /nfs/dbraw/zinc/49/05/18/1068490518.db2.gz LSOOKQRYYZHKMS-FQEVSTJZSA-N 0 0 454.470 4.872 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC001463677892 1068491035 /nfs/dbraw/zinc/49/10/35/1068491035.db2.gz DMXCFIWBYLMWCS-DENIHFKCSA-N 0 0 458.624 4.729 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001463678758 1068491097 /nfs/dbraw/zinc/49/10/97/1068491097.db2.gz KJWFBIZIYDBJML-APWZRJJASA-N 0 0 453.377 4.809 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC001463677896 1068491122 /nfs/dbraw/zinc/49/11/22/1068491122.db2.gz DMXCFIWBYLMWCS-SIKLNZKXSA-N 0 0 458.624 4.729 20 0 JJADRN CC(C)CN(c1ccccc1)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463679868 1068491752 /nfs/dbraw/zinc/49/17/52/1068491752.db2.gz JPAGIMSJNJWKJU-UHFFFAOYSA-N 0 0 459.749 4.801 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)COCc3cccc(Cl)c3)ccc2C)c1 ZINC001463680719 1068491824 /nfs/dbraw/zinc/49/18/24/1068491824.db2.gz ZDKJRCPKPPTJKE-UHFFFAOYSA-N 0 0 458.967 4.913 20 0 JJADRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001463684744 1068492959 /nfs/dbraw/zinc/49/29/59/1068492959.db2.gz LKGNBDWEWCQMHV-UHFFFAOYSA-N 0 0 450.363 4.872 20 0 JJADRN CCOC(=O)[C@@H](CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)C(C)=O ZINC001463685306 1068492977 /nfs/dbraw/zinc/49/29/77/1068492977.db2.gz LXEXOLORCYOVNX-SFHVURJKSA-N 0 0 450.354 4.697 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccccc1F)c1ccc(Br)cc1 ZINC001463685669 1068493703 /nfs/dbraw/zinc/49/37/03/1068493703.db2.gz VUECEMUGWGNVTL-NRFANRHFSA-N 0 0 451.336 4.645 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001463687233 1068494129 /nfs/dbraw/zinc/49/41/29/1068494129.db2.gz JIPRKAUSEYRZMZ-SFHVURJKSA-N 0 0 455.498 4.759 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC001463688151 1068494196 /nfs/dbraw/zinc/49/41/96/1068494196.db2.gz GXVCOGVUHHFFSJ-FQEVSTJZSA-N 0 0 456.377 4.729 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1ccc(OC)c(OC)c1 ZINC001463688806 1068494913 /nfs/dbraw/zinc/49/49/13/1068494913.db2.gz VJQBRYDNTJHICB-CQSZACIVSA-N 0 0 454.342 4.642 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNS(=O)(=O)c3cccc4ncccc43)cc2)c1 ZINC001463694468 1068496680 /nfs/dbraw/zinc/49/66/80/1068496680.db2.gz CJXHYUUKYWVLHH-UHFFFAOYSA-N 0 0 450.516 4.523 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@@](C)(CO)c3cc(Cl)cc(Cl)c3)ccc2nc1Cl ZINC001463697237 1068497078 /nfs/dbraw/zinc/49/70/78/1068497078.db2.gz ZKXOMWUYAGCXKV-IBGZPJMESA-N 0 0 459.782 4.689 20 0 JJADRN CC[C@](NS(=O)(=O)c1csc2ccc(Cl)cc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001463695897 1068497143 /nfs/dbraw/zinc/49/71/43/1068497143.db2.gz ULVDSZJRZAXUSM-LJQANCHMSA-N 0 0 458.388 4.965 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001463697144 1068497207 /nfs/dbraw/zinc/49/72/07/1068497207.db2.gz GUOJJARDCUBWSU-MRXNPFEDSA-N 0 0 450.185 4.722 20 0 JJADRN Cc1cc(CNS(=O)(=O)c2cc(F)ccc2OC(C)C)cc(NC(=O)OC(C)(C)C)c1 ZINC001463697829 1068497893 /nfs/dbraw/zinc/49/78/93/1068497893.db2.gz LAQZAYTWSJJOEX-UHFFFAOYSA-N 0 0 452.548 4.747 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700956 1068499085 /nfs/dbraw/zinc/49/90/85/1068499085.db2.gz SDLCWGSGGLBQKS-INIZCTEOSA-N 0 0 456.864 4.522 20 0 JJADRN COc1cccc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 ZINC001463704585 1068500426 /nfs/dbraw/zinc/50/04/26/1068500426.db2.gz YTRJFPDMMMDURG-SANMLTNESA-N 0 0 458.558 4.875 20 0 JJADRN O=C(c1ccc(OCc2ccccc2)cn1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001463710274 1068501542 /nfs/dbraw/zinc/50/15/42/1068501542.db2.gz SACKIGRKTARMOM-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN O=S(=O)(NC1(Cc2ccc(F)cc2)CC1)c1cc(Cl)c(Cl)cc1Br ZINC001463710303 1068501672 /nfs/dbraw/zinc/50/16/72/1068501672.db2.gz OKAVVWFCQNXPJY-UHFFFAOYSA-N 0 0 453.160 4.949 20 0 JJADRN Cc1ccc(F)c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1Br ZINC001463711218 1068501935 /nfs/dbraw/zinc/50/19/35/1068501935.db2.gz FZFDUOHPKHBTCO-UHFFFAOYSA-N 0 0 459.281 4.873 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001463710545 1068502035 /nfs/dbraw/zinc/50/20/35/1068502035.db2.gz LIBCVYXAAZWYFV-ZWKOTPCHSA-N 0 0 452.414 4.851 20 0 JJADRN CCN(CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1Cl ZINC001463711515 1068502231 /nfs/dbraw/zinc/50/22/31/1068502231.db2.gz HCHDOGVZQGBBHV-UHFFFAOYSA-N 0 0 453.936 4.525 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1-c1cc(C)cc(C)c1 ZINC001463714320 1068502708 /nfs/dbraw/zinc/50/27/08/1068502708.db2.gz PXCSMSWTBVGWTO-UHFFFAOYSA-N 0 0 456.512 4.774 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001463721803 1068504149 /nfs/dbraw/zinc/50/41/49/1068504149.db2.gz DELJKVSAYIPNRP-UHFFFAOYSA-N 0 0 450.320 4.933 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N(c2ccc(Br)cc2)C2CC2)c1 ZINC001463719715 1068504317 /nfs/dbraw/zinc/50/43/17/1068504317.db2.gz BJRBZJXGEYPPPV-UHFFFAOYSA-N 0 0 450.276 4.834 20 0 JJADRN C[C@H](NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463725593 1068505349 /nfs/dbraw/zinc/50/53/49/1068505349.db2.gz RJEHWAIOVJSYQS-VIFPVBQESA-N 0 0 458.754 4.937 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463726283 1068505785 /nfs/dbraw/zinc/50/57/85/1068505785.db2.gz TYYSSLJWIGFCPS-QMMMGPOBSA-N 0 0 454.257 4.808 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)NCc3ccc(OC(F)F)c(OC)c3)cc2)c(OC)c1 ZINC001463726245 1068505895 /nfs/dbraw/zinc/50/58/95/1068505895.db2.gz UUOQWYOKQJIWLA-UHFFFAOYSA-N 0 0 458.461 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCCSCc1ccccc1F ZINC001463728437 1068506310 /nfs/dbraw/zinc/50/63/10/1068506310.db2.gz UEMPYEPJXZLBFY-FBBABVLZSA-N 0 0 450.620 4.991 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001463728728 1068506410 /nfs/dbraw/zinc/50/64/10/1068506410.db2.gz KYJNJNBJSRVDNO-HNNXBMFYSA-N 0 0 454.777 4.895 20 0 JJADRN O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC001463730010 1068506428 /nfs/dbraw/zinc/50/64/28/1068506428.db2.gz FBHSBELMYSIHAQ-UHFFFAOYSA-N 0 0 457.452 4.529 20 0 JJADRN O=S(=O)(c1cscc1Br)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001463731745 1068506793 /nfs/dbraw/zinc/50/67/93/1068506793.db2.gz LRWNMRYWYKNRME-UHFFFAOYSA-N 0 0 452.798 4.900 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NCC2(c3cccc(Cl)c3)CCCCC2)c(C)cc1F ZINC001463734123 1068507488 /nfs/dbraw/zinc/50/74/88/1068507488.db2.gz KCMNZRJZSSAVOU-UHFFFAOYSA-N 0 0 453.963 4.755 20 0 JJADRN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001463733461 1068507567 /nfs/dbraw/zinc/50/75/67/1068507567.db2.gz BXBJXPZKNQIULZ-UHFFFAOYSA-N 0 0 454.905 4.768 20 0 JJADRN CCOc1cccc2cc([C@@H](C)NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)oc21 ZINC001463739282 1068508751 /nfs/dbraw/zinc/50/87/51/1068508751.db2.gz VXXOKGMILZMZNY-OAHLLOKOSA-N 0 0 451.548 4.981 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC001463743910 1068510457 /nfs/dbraw/zinc/51/04/57/1068510457.db2.gz IZYWCKDWLDLQKY-ZDUSSCGKSA-N 0 0 452.527 4.822 20 0 JJADRN CN(C)C(=O)C[C@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 ZINC001463745091 1068510829 /nfs/dbraw/zinc/51/08/29/1068510829.db2.gz MTLYGQRZGXMJCA-QFIPXVFZSA-N 0 0 458.967 4.630 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001463746068 1068510990 /nfs/dbraw/zinc/51/09/90/1068510990.db2.gz MJRHLMOBYRRAFY-INIZCTEOSA-N 0 0 458.425 4.815 20 0 JJADRN CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC001463748136 1068511549 /nfs/dbraw/zinc/51/15/49/1068511549.db2.gz DLIIPSPZIRXDPC-KRWDZBQOSA-N 0 0 450.398 4.541 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC001463748269 1068511818 /nfs/dbraw/zinc/51/18/18/1068511818.db2.gz PJLHJAMYXLZYMU-INIZCTEOSA-N 0 0 458.425 4.897 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)NC(=O)OC(C)(C)C ZINC001463749912 1068511871 /nfs/dbraw/zinc/51/18/71/1068511871.db2.gz OUEVGJHSLSAOFD-HNNXBMFYSA-N 0 0 454.976 4.714 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Br)C2)cc1 ZINC001463749734 1068512003 /nfs/dbraw/zinc/51/20/03/1068512003.db2.gz MPMWBXXFINVOCS-HNNXBMFYSA-N 0 0 458.805 4.755 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)ccc2C)cc1 ZINC001463750214 1068512564 /nfs/dbraw/zinc/51/25/64/1068512564.db2.gz MMDBHVLRQKGYAQ-OAHLLOKOSA-N 0 0 455.605 4.938 20 0 JJADRN C[C@H]1CCc2nc(NC(=O)C3CC4(C3)C[C@H](NC(=O)OC(C)(C)C)CCS4)sc2C1 ZINC001463753562 1068513097 /nfs/dbraw/zinc/51/30/97/1068513097.db2.gz LSYSICSJXIORBO-ODRXNTGYSA-N 0 0 451.658 4.776 20 0 JJADRN COc1ccc(C[C@H]2CCCN(S(=O)(=O)Cc3cc(C)ccc3Br)C2)cc1 ZINC001463753635 1068513502 /nfs/dbraw/zinc/51/35/02/1068513502.db2.gz ZZTCASGBJQLGBX-GOSISDBHSA-N 0 0 452.414 4.551 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001463754763 1068513699 /nfs/dbraw/zinc/51/36/99/1068513699.db2.gz YQXRLYFXUVRLCY-LSDHHAIUSA-N 0 0 454.976 4.712 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463757565 1068513998 /nfs/dbraw/zinc/51/39/98/1068513998.db2.gz DMGVOQIWMICQCB-SJKOYZFVSA-N 0 0 453.404 4.875 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001463755029 1068514356 /nfs/dbraw/zinc/51/43/56/1068514356.db2.gz FPLUMRUAEWVNHC-UHFFFAOYSA-N 0 0 459.496 4.987 20 0 JJADRN CC(C)N(CCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)OC(C)(C)C ZINC001463760380 1068515316 /nfs/dbraw/zinc/51/53/16/1068515316.db2.gz HFCRAUMXZCOCHU-UHFFFAOYSA-N 0 0 453.583 4.633 20 0 JJADRN CN(CCCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccccc1 ZINC001463764314 1068516725 /nfs/dbraw/zinc/51/67/25/1068516725.db2.gz ZEMPHSJGRDXQMM-UHFFFAOYSA-N 0 0 458.602 4.957 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001463765074 1068517196 /nfs/dbraw/zinc/51/71/96/1068517196.db2.gz XLPHICXEWQWAIT-LBPRGKRZSA-N 0 0 457.326 4.963 20 0 JJADRN COc1ccc2nc(NC(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)sc2c1 ZINC001463765177 1068517268 /nfs/dbraw/zinc/51/72/68/1068517268.db2.gz OFDVHEZBALYWOY-UHFFFAOYSA-N 0 0 456.568 4.931 20 0 JJADRN O=S(=O)(c1ccc2ncsc2c1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001463772896 1068519749 /nfs/dbraw/zinc/51/97/49/1068519749.db2.gz HFHHURBGCJUUCF-OAHLLOKOSA-N 0 0 451.411 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463772369 1068519760 /nfs/dbraw/zinc/51/97/60/1068519760.db2.gz DTHHZHWXFCFMSB-MOPGFXCFSA-N 0 0 468.985 4.526 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CCN(c3cc(C)nc(C(C)C)n3)CC1)ccc2Br ZINC001463773406 1068520659 /nfs/dbraw/zinc/52/06/59/1068520659.db2.gz VFTYJKAMXLESEE-UHFFFAOYSA-N 0 0 457.372 4.688 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)ccc1Br ZINC001463774021 1068521130 /nfs/dbraw/zinc/52/11/30/1068521130.db2.gz AOORTUGFYWJXBG-UHFFFAOYSA-N 0 0 457.821 4.700 20 0 JJADRN C[C@@H](OCCCNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1ccccc1 ZINC001463777152 1068521635 /nfs/dbraw/zinc/52/16/35/1068521635.db2.gz LQJKNLZFADOPEY-UPHPNCSHSA-N 0 0 459.575 4.684 20 0 JJADRN C[C@@H](OCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001463778529 1068521983 /nfs/dbraw/zinc/52/19/83/1068521983.db2.gz WMRHNOZSOFWVJW-AUSIDOKSSA-N 0 0 454.636 4.783 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc2ccccc2n1 ZINC001463779471 1068522012 /nfs/dbraw/zinc/52/20/12/1068522012.db2.gz AYGSGUARAYKPOT-JOCHJYFZSA-N 0 0 458.027 4.809 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001463785137 1068523200 /nfs/dbraw/zinc/52/32/00/1068523200.db2.gz LWXAELGBCHEXCE-UHFFFAOYSA-N 0 0 451.032 4.936 20 0 JJADRN COc1ccc(OCCNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC001463785802 1068523621 /nfs/dbraw/zinc/52/36/21/1068523621.db2.gz SFEOEWXQHOVDBC-UHFFFAOYSA-N 0 0 456.336 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNS(=O)(=O)c3ccc(F)cc3Cl)ccc21 ZINC001463788973 1068524568 /nfs/dbraw/zinc/52/45/68/1068524568.db2.gz YVKWRAYGYGPCGT-UHFFFAOYSA-N 0 0 454.951 4.645 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1 ZINC001463790719 1068525360 /nfs/dbraw/zinc/52/53/60/1068525360.db2.gz KEFWYVHRNWRPLT-IBGZPJMESA-N 0 0 457.514 4.872 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1Cl ZINC001463790206 1068525425 /nfs/dbraw/zinc/52/54/25/1068525425.db2.gz IPYYLVQERYOGFY-UHFFFAOYSA-N 0 0 457.423 4.632 20 0 JJADRN O=C(c1ncc(C(F)(F)F)s1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463792852 1068525978 /nfs/dbraw/zinc/52/59/78/1068525978.db2.gz CXJRMPKSQXYFOP-UHFFFAOYSA-N 0 0 455.502 4.988 20 0 JJADRN O=C(NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC001463792831 1068526024 /nfs/dbraw/zinc/52/60/24/1068526024.db2.gz CPCNVDYANCCYOK-UHFFFAOYSA-N 0 0 457.471 4.897 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCc3c(F)ccc(Br)c3C2)cc1CC ZINC001463793650 1068526337 /nfs/dbraw/zinc/52/63/37/1068526337.db2.gz KBQWAJTVWAJKHF-UHFFFAOYSA-N 0 0 456.377 4.686 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NCC1(c2ccc(C)cc2C)CCCC1 ZINC001463797062 1068527653 /nfs/dbraw/zinc/52/76/53/1068527653.db2.gz 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CCc1nc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Br)cn1CC1CC1 ZINC001463806071 1068531805 /nfs/dbraw/zinc/53/18/05/1068531805.db2.gz JSBUCWSJJHSNNS-UHFFFAOYSA-N 0 0 454.173 4.693 20 0 JJADRN CCc1nc(S(=O)(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1CC1CC1 ZINC001463809277 1068532303 /nfs/dbraw/zinc/53/23/03/1068532303.db2.gz SDGPASUEULDJKW-GOSISDBHSA-N 0 0 457.562 4.810 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001463808542 1068532405 /nfs/dbraw/zinc/53/24/05/1068532405.db2.gz NPMBYYAOVUFAJO-LJQANCHMSA-N 0 0 456.391 4.874 20 0 JJADRN CCc1n[nH]c(=O)c(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1CC ZINC001463809786 1068532852 /nfs/dbraw/zinc/53/28/52/1068532852.db2.gz MDUUDYQWJROYAS-UHFFFAOYSA-N 0 0 456.340 4.901 20 0 JJADRN C[C@H](NC(=O)c1cccc(I)c1N)C(c1ccccc1)c1ccccc1 ZINC001463811037 1068533227 /nfs/dbraw/zinc/53/32/27/1068533227.db2.gz XLTKLLSMGJJTMC-HNNXBMFYSA-N 0 0 456.327 4.824 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC001463813812 1068534470 /nfs/dbraw/zinc/53/44/70/1068534470.db2.gz XAQDJKVONDNZOG-UHFFFAOYSA-N 0 0 455.908 4.747 20 0 JJADRN CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2c3ncsc3ccc2Cl)N(C)C)cc1 ZINC001463824028 1068536272 /nfs/dbraw/zinc/53/62/72/1068536272.db2.gz ODSJOLPVBURODB-GOSISDBHSA-N 0 0 452.045 4.729 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001463824905 1068536999 /nfs/dbraw/zinc/53/69/99/1068536999.db2.gz QXOWWUCKHKYINX-YFXJRYMSSA-N 0 0 454.998 4.961 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCCCC1 ZINC001463825407 1068537034 /nfs/dbraw/zinc/53/70/34/1068537034.db2.gz FJEAPEKYRONDMQ-OAQYLSRUSA-N 0 0 450.988 4.983 20 0 JJADRN COC(=O)c1cc(CN(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)oc1C ZINC001463828013 1068539364 /nfs/dbraw/zinc/53/93/64/1068539364.db2.gz CFOWXZYROYQDNH-UHFFFAOYSA-N 0 0 450.278 4.536 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC001463831643 1068539802 /nfs/dbraw/zinc/53/98/02/1068539802.db2.gz BDCDNNWHHPIHMT-UHFFFAOYSA-N 0 0 459.502 4.857 20 0 JJADRN Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC001463832142 1068539886 /nfs/dbraw/zinc/53/98/86/1068539886.db2.gz DAHTZDZVRHWHLZ-LJQANCHMSA-N 0 0 450.988 4.631 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OCC(F)(F)F ZINC001463833255 1068540553 /nfs/dbraw/zinc/54/05/53/1068540553.db2.gz DPSVCZXRDNDUPK-BTYIYWSLSA-N 0 0 458.477 4.612 20 0 JJADRN Cn1cc(CCC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC001463835754 1068541609 /nfs/dbraw/zinc/54/16/09/1068541609.db2.gz LZCGDEFIVJHCMM-UHFFFAOYSA-N 0 0 451.523 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC001463837495 1068542348 /nfs/dbraw/zinc/54/23/48/1068542348.db2.gz XWLDCRUYTZRVKD-QHCPKHFHSA-N 0 0 452.576 4.823 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC001463838603 1068543063 /nfs/dbraw/zinc/54/30/63/1068543063.db2.gz PXDAKFLBSLOAFY-QGZVFWFLSA-N 0 0 453.812 4.621 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3c4cn[nH]c4ccc3C)cc2)c1C(F)(F)F ZINC001463839376 1068543556 /nfs/dbraw/zinc/54/35/56/1068543556.db2.gz MWIUSFIDWZHUOP-UHFFFAOYSA-N 0 0 457.412 4.505 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC001463841958 1068544612 /nfs/dbraw/zinc/54/46/12/1068544612.db2.gz CYFGGAONKKBZBG-DEOSSOPVSA-N 0 0 458.558 4.928 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc(OC)c1OC ZINC001463841757 1068544752 /nfs/dbraw/zinc/54/47/52/1068544752.db2.gz DJLRJVRFNIMDIF-UHFFFAOYSA-N 0 0 455.507 4.746 20 0 JJADRN CC(C)(C)c1nc2ccc(S(=O)(=O)NCCc3cccc(Br)c3)cc2s1 ZINC001463842087 1068544762 /nfs/dbraw/zinc/54/47/62/1068544762.db2.gz GJHOBIRRQNOJLA-UHFFFAOYSA-N 0 0 453.427 4.877 20 0 JJADRN COc1cccc([C@@H](C)CCCC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC2)c1 ZINC001463844685 1068545733 /nfs/dbraw/zinc/54/57/33/1068545733.db2.gz LNIMUKRFJJYDJR-SFHVURJKSA-N 0 0 454.567 4.861 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@H]2CCOC2)CCCC1 ZINC001546142172 1068546934 /nfs/dbraw/zinc/54/69/34/1068546934.db2.gz FCOICFZEJYHXFK-HXUWFJFHSA-N 0 0 475.678 4.836 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC(C)(C)C2)CCCC1 ZINC001546142198 1068547294 /nfs/dbraw/zinc/54/72/94/1068547294.db2.gz FSUQNSBQEIXYPK-UHFFFAOYSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCS2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC001463850218 1068547666 /nfs/dbraw/zinc/54/76/66/1068547666.db2.gz ZBQIWJOIQOHDFO-INIZCTEOSA-N 0 0 458.577 4.945 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)N(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849948 1068547720 /nfs/dbraw/zinc/54/77/20/1068547720.db2.gz GGOUMFVQWHMJFD-NSHDSACASA-N 0 0 454.283 4.859 20 0 JJADRN COCCOc1cc(NC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)ccc1OC ZINC001463856292 1068548883 /nfs/dbraw/zinc/54/88/83/1068548883.db2.gz DNMHEQCPYHWMKO-UHFFFAOYSA-N 0 0 453.720 4.870 20 0 JJADRN CC1CCN(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)CC1 ZINC001463859100 1068549345 /nfs/dbraw/zinc/54/93/45/1068549345.db2.gz XYQPHCAYGMHDAX-UHFFFAOYSA-N 0 0 459.635 4.556 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC001463861679 1068549833 /nfs/dbraw/zinc/54/98/33/1068549833.db2.gz KPNHPFRZHJENFG-UHFFFAOYSA-N 0 0 450.894 4.570 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001463863778 1068550221 /nfs/dbraw/zinc/55/02/21/1068550221.db2.gz SYWGBXHMULIEIT-UHFFFAOYSA-N 0 0 450.926 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC001463863668 1068550518 /nfs/dbraw/zinc/55/05/18/1068550518.db2.gz REPCLSRVRWQHLX-FQEVSTJZSA-N 0 0 453.587 4.790 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC001463865721 1068550949 /nfs/dbraw/zinc/55/09/49/1068550949.db2.gz WLYWWSAKDRTNRT-JTQLQIEISA-N 0 0 453.371 4.540 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N1CCCc2c(F)c(F)cc(F)c21 ZINC001463868126 1068551059 /nfs/dbraw/zinc/55/10/59/1068551059.db2.gz RVZDXDJISBVSNM-UHFFFAOYSA-N 0 0 454.695 4.802 20 0 JJADRN CC(C)[C@H]1N(S(=O)(=O)c2scc(Br)c2Br)CC12CCCC2 ZINC001463869092 1068551505 /nfs/dbraw/zinc/55/15/05/1068551505.db2.gz XLZOSOXADAIEOS-GFCCVEGCSA-N 0 0 457.253 4.862 20 0 JJADRN COc1ccc([C@@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2sc(C)cc2C)cc1 ZINC001463872900 1068552377 /nfs/dbraw/zinc/55/23/77/1068552377.db2.gz PZJXMZGPUFSWOL-JPYJTQIMSA-N 0 0 459.633 4.729 20 0 JJADRN CCOCCN(c1ccc(Cl)cc1)S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC001463873731 1068552944 /nfs/dbraw/zinc/55/29/44/1068552944.db2.gz SOSFPWYHNSLEKW-UHFFFAOYSA-N 0 0 453.969 4.573 20 0 JJADRN CCC(CC)[C@H](CNC(=O)c1c(C)onc1-c1cccc(Cl)c1Cl)N1CCOCC1 ZINC001463873733 1068553048 /nfs/dbraw/zinc/55/30/48/1068553048.db2.gz NTMVCBLVVYPFBZ-SFHVURJKSA-N 0 0 454.398 4.824 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC001463875264 1068553427 /nfs/dbraw/zinc/55/34/27/1068553427.db2.gz WMZVOTGBENNUCE-QHCPKHFHSA-N 0 0 452.551 4.590 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@H]2C)CCOCC1 ZINC001546142398 1068553510 /nfs/dbraw/zinc/55/35/10/1068553510.db2.gz JKFQOMCVGBWRFH-NJDAHSKKSA-N 0 0 475.678 4.834 20 0 JJADRN COc1cc(NC(=O)c2ccc(SC(F)(F)F)o2)c(C(=O)N2CCCCC2)cc1OC ZINC001463878017 1068553964 /nfs/dbraw/zinc/55/39/64/1068553964.db2.gz DMCXVDYBQHYYGV-UHFFFAOYSA-N 0 0 458.458 4.787 20 0 JJADRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001463877721 1068554072 /nfs/dbraw/zinc/55/40/72/1068554072.db2.gz OTRKJSVJZHVTPF-UHFFFAOYSA-N 0 0 455.139 4.948 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001463888221 1068556135 /nfs/dbraw/zinc/55/61/35/1068556135.db2.gz IRZBWXXXYXSUNV-OAQYLSRUSA-N 0 0 456.530 4.621 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1ccc(F)cc1 ZINC001463891803 1068557156 /nfs/dbraw/zinc/55/71/56/1068557156.db2.gz WGRBKCNYNYYFNC-LJQANCHMSA-N 0 0 457.937 4.652 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccco2)cc1 ZINC001463893594 1068557891 /nfs/dbraw/zinc/55/78/91/1068557891.db2.gz LKJLURWUVYEAOF-JOCHJYFZSA-N 0 0 454.479 4.683 20 0 JJADRN CC[C@@H](C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1)c1ccc(F)cc1 ZINC001463896426 1068558843 /nfs/dbraw/zinc/55/88/43/1068558843.db2.gz JKJTZFKWTWXWSU-HSZRJFAPSA-N 0 0 453.583 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC001463899451 1068559334 /nfs/dbraw/zinc/55/93/34/1068559334.db2.gz FXEKRYNCDGVWEN-UHFFFAOYSA-N 0 0 452.595 4.674 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2cc(C)ccc2Br)cc1Br ZINC001463899583 1068560035 /nfs/dbraw/zinc/56/00/35/1068560035.db2.gz SPRCYJCLLQEHOU-UHFFFAOYSA-N 0 0 450.148 4.686 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CCCC1 ZINC001546142559 1068560081 /nfs/dbraw/zinc/56/00/81/1068560081.db2.gz MZWCCGALWFOQFW-GOSISDBHSA-N 0 0 495.437 4.653 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001463902176 1068560599 /nfs/dbraw/zinc/56/05/99/1068560599.db2.gz FPNFMRBXIUFQRE-QGZVFWFLSA-N 0 0 450.149 4.821 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(Cl)c(F)cc1Br)c1nccn1C ZINC001463905643 1068561012 /nfs/dbraw/zinc/56/10/12/1068561012.db2.gz BBZZRPJOYBIDBC-QGZVFWFLSA-N 0 0 452.711 4.503 20 0 JJADRN Cc1cc(OCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC001463909709 1068562332 /nfs/dbraw/zinc/56/23/32/1068562332.db2.gz XATMLBCSTGAQSX-UHFFFAOYSA-N 0 0 451.792 4.524 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc2c([nH]1)c(C)ccc2Br)c1nccn1C ZINC001463912619 1068563722 /nfs/dbraw/zinc/56/37/22/1068563722.db2.gz ZGZOYDQXLFQODT-FQEVSTJZSA-N 0 0 453.340 4.500 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001463915662 1068565099 /nfs/dbraw/zinc/56/50/99/1068565099.db2.gz SJKPQWAJUZWDCX-VQIMIIECSA-N 0 0 451.972 4.530 20 0 JJADRN O=C(Nc1cccc2c[nH]nc21)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001463921667 1068566581 /nfs/dbraw/zinc/56/65/81/1068566581.db2.gz XVQGHOAWUJJUDW-UHFFFAOYSA-N 0 0 456.762 4.703 20 0 JJADRN O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H]1Cc1ccccc1Br ZINC001463921349 1068566701 /nfs/dbraw/zinc/56/67/01/1068566701.db2.gz SPBSWNBGOHUAMV-CYBMUJFWSA-N 0 0 450.185 4.547 20 0 JJADRN C[C@H](COC1CCCC1)CS(=O)(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001463925608 1068567133 /nfs/dbraw/zinc/56/71/33/1068567133.db2.gz DIIXLETWKNHELE-YLJYHZDGSA-N 0 0 458.462 4.771 20 0 JJADRN COc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463931196 1068568526 /nfs/dbraw/zinc/56/85/26/1068568526.db2.gz KFBWNEWAVQWERP-NYVOZVTQSA-N 0 0 463.578 4.585 20 0 JJADRN COc1ccc([C@@H](CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463932566 1068569102 /nfs/dbraw/zinc/56/91/02/1068569102.db2.gz PCUULASFLLSVKY-DYESRHJHSA-N 0 0 451.567 4.585 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001463936414 1068570029 /nfs/dbraw/zinc/57/00/29/1068570029.db2.gz PIRQPHXANAQVPB-KRWDZBQOSA-N 0 0 454.527 4.810 20 0 JJADRN CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC001463935311 1068570234 /nfs/dbraw/zinc/57/02/34/1068570234.db2.gz OSAVQWQGPTVPLM-UHFFFAOYSA-N 0 0 454.570 4.695 20 0 JJADRN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001463938535 1068570448 /nfs/dbraw/zinc/57/04/48/1068570448.db2.gz DRNFAPLZCCDVNS-UHFFFAOYSA-N 0 0 454.577 4.825 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001463936425 1068570682 /nfs/dbraw/zinc/57/06/82/1068570682.db2.gz PRDXSWVFCCJXRF-AWEZNQCLSA-N 0 0 452.654 4.672 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c(C)c1F ZINC001463937224 1068570695 /nfs/dbraw/zinc/57/06/95/1068570695.db2.gz RUUHGUJTWMGMMH-KRWDZBQOSA-N 0 0 454.608 4.551 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001463936511 1068570754 /nfs/dbraw/zinc/57/07/54/1068570754.db2.gz PRDXSWVFCCJXRF-CQSZACIVSA-N 0 0 452.654 4.672 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1 ZINC001463945194 1068571638 /nfs/dbraw/zinc/57/16/38/1068571638.db2.gz WQWCWSWEGAZQNE-UHFFFAOYSA-N 0 0 451.445 4.683 20 0 JJADRN CCn1c(Br)ncc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC001463942527 1068571668 /nfs/dbraw/zinc/57/16/68/1068571668.db2.gz FSRNGSGCPUCEKB-UHFFFAOYSA-N 0 0 457.300 4.951 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(-n2cccc2)cc1 ZINC001463947368 1068572155 /nfs/dbraw/zinc/57/21/55/1068572155.db2.gz DLGFRPLYWUHPOH-HMMYKYKNSA-N 0 0 451.935 4.597 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001463946148 1068572166 /nfs/dbraw/zinc/57/21/66/1068572166.db2.gz BHGJJHNEUXMGAQ-ZWWAOTTBSA-N 0 0 458.942 4.825 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)Cc1ccccc1 ZINC001463947611 1068572324 /nfs/dbraw/zinc/57/23/24/1068572324.db2.gz FVJIOTKRVIEGQX-FQEVSTJZSA-N 0 0 458.002 4.515 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463948903 1068572774 /nfs/dbraw/zinc/57/27/74/1068572774.db2.gz HHLFGFPUDAFELO-HZQOKBKYSA-N 0 0 458.967 4.659 20 0 JJADRN CCN(CC(=O)Nc1ccccc1OC)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001463951337 1068573361 /nfs/dbraw/zinc/57/33/61/1068573361.db2.gz APQYDKROODUNLI-UHFFFAOYSA-N 0 0 451.350 4.842 20 0 JJADRN O=S(=O)(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(Br)cc1F ZINC001463953588 1068573940 /nfs/dbraw/zinc/57/39/40/1068573940.db2.gz FHPQKDCBXINOTK-GFCCVEGCSA-N 0 0 457.752 4.559 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cc(O)c2ccccc2c1 ZINC001463953136 1068573962 /nfs/dbraw/zinc/57/39/62/1068573962.db2.gz QWGDGZOGEAAUJH-RGVLZGJSSA-N 0 0 452.919 4.665 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001463953664 1068573986 /nfs/dbraw/zinc/57/39/86/1068573986.db2.gz VZUNCXBGTKXOGL-SKCUWOTOSA-N 0 0 457.393 4.638 20 0 JJADRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 ZINC001463955566 1068574813 /nfs/dbraw/zinc/57/48/13/1068574813.db2.gz HOQDGRDECBWNKM-BVZFJXPGSA-N 0 0 457.530 4.525 20 0 JJADRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2ccccc2cc1NC(=O)C(C)C ZINC001463960542 1068575732 /nfs/dbraw/zinc/57/57/32/1068575732.db2.gz QYIJZNXMYXFGPQ-UHFFFAOYSA-N 0 0 453.489 4.813 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1Br ZINC001463960495 1068575910 /nfs/dbraw/zinc/57/59/10/1068575910.db2.gz FFUQPGVUVMVFKK-RBUKOAKNSA-N 0 0 480.424 4.504 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2c(C)cnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001463961436 1068576021 /nfs/dbraw/zinc/57/60/21/1068576021.db2.gz UMVYUFAXHTXDHT-NRFANRHFSA-N 0 0 455.603 4.862 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001463963393 1068576527 /nfs/dbraw/zinc/57/65/27/1068576527.db2.gz HIFJRKADVDCXHC-MRXNPFEDSA-N 0 0 455.761 4.661 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001546143019 1068576755 /nfs/dbraw/zinc/57/67/55/1068576755.db2.gz WYWPALBYZFAHLL-OALUTQOASA-N 0 0 463.692 4.915 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1 ZINC001463963614 1068576769 /nfs/dbraw/zinc/57/67/69/1068576769.db2.gz SRRFTTWQSUIXOX-SANMLTNESA-N 0 0 452.595 4.995 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCCC1 ZINC001546143075 1068577390 /nfs/dbraw/zinc/57/73/90/1068577390.db2.gz XVNHOHZTTPLWSQ-VQTJNVASSA-N 0 0 461.651 4.588 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463969704 1068577961 /nfs/dbraw/zinc/57/79/61/1068577961.db2.gz JFKZSRCTBJHPAG-TYCQWZJGSA-N 0 0 451.629 4.679 20 0 JJADRN CC(C)n1cccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001463970656 1068578229 /nfs/dbraw/zinc/57/82/29/1068578229.db2.gz MKXJBVZOWXDXGZ-LICLKQGHSA-N 0 0 452.363 4.842 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463972936 1068578975 /nfs/dbraw/zinc/57/89/75/1068578975.db2.gz WBYOVVZJSFQLFA-KNXALSJPSA-N 0 0 480.852 4.773 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1cc(F)ccc1F ZINC001463972837 1068579287 /nfs/dbraw/zinc/57/92/87/1068579287.db2.gz ZEZPBZVRKYIDGC-FRKPEAEDSA-N 0 0 457.285 4.738 20 0 JJADRN Cc1c(NC(=O)c2ncc(C(F)(F)F)s2)cccc1C(=O)N1CCc2sccc2C1 ZINC001463973769 1068579320 /nfs/dbraw/zinc/57/93/20/1068579320.db2.gz JEHKXSYKGGTTON-UHFFFAOYSA-N 0 0 451.495 4.983 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463972974 1068579341 /nfs/dbraw/zinc/57/93/41/1068579341.db2.gz WQCIKABDPIHYTD-KWCYVHTRSA-N 0 0 480.852 4.773 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463972971 1068579349 /nfs/dbraw/zinc/57/93/49/1068579349.db2.gz WQCIKABDPIHYTD-FPMFFAJLSA-N 0 0 480.852 4.773 20 0 JJADRN O=C(Nc1ccc2[nH]ccc2c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001463975197 1068579680 /nfs/dbraw/zinc/57/96/80/1068579680.db2.gz IKBZIPNCOKJIEG-UHFFFAOYSA-N 0 0 452.363 4.514 20 0 JJADRN O=S(=O)(Cc1cccc2cccnc21)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001463976715 1068579917 /nfs/dbraw/zinc/57/99/17/1068579917.db2.gz GLAFMWMAZDSEEH-UHFFFAOYSA-N 0 0 450.482 4.675 20 0 JJADRN Cc1cc(S(=O)(=O)N(CC(=O)OC(C)(C)C)C2CCC2)cc(C)c1OCc1ccccc1 ZINC001463977642 1068580441 /nfs/dbraw/zinc/58/04/41/1068580441.db2.gz SWSJMITXMUXHAL-UHFFFAOYSA-N 0 0 459.608 4.767 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001463992532 1068583212 /nfs/dbraw/zinc/58/32/12/1068583212.db2.gz QRCVDNVWRXILNA-LJQANCHMSA-N 0 0 451.954 4.574 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC001463995442 1068583640 /nfs/dbraw/zinc/58/36/40/1068583640.db2.gz DCOVEOGVIRQHCW-UHFFFAOYSA-N 0 0 457.530 4.945 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H]2CCCCN2Cc2cccnc2)ccc1OCc1ccccc1 ZINC001463998888 1068584265 /nfs/dbraw/zinc/58/42/65/1068584265.db2.gz ORSWZQWGMOVRFV-RUZDIDTESA-N 0 0 459.590 4.682 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2F)CCC1)c1cnc2c(Br)csc2c1 ZINC001464001305 1068585108 /nfs/dbraw/zinc/58/51/08/1068585108.db2.gz HWVJAWZSQJGWFC-UHFFFAOYSA-N 0 0 455.374 4.598 20 0 JJADRN O=C(/C=C/c1ccc[nH]1)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001464004323 1068586043 /nfs/dbraw/zinc/58/60/43/1068586043.db2.gz MCIFJNTYGWIZBQ-RMKNXTFCSA-N 0 0 456.409 4.863 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC001464005120 1068586659 /nfs/dbraw/zinc/58/66/59/1068586659.db2.gz MBKDOFPACWLSGI-UHFFFAOYSA-N 0 0 452.551 4.763 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCc3nc(Br)ccc32)c1Cl ZINC001464009024 1068587725 /nfs/dbraw/zinc/58/77/25/1068587725.db2.gz GZPLEWSHHNZCLL-UHFFFAOYSA-N 0 0 450.185 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001464014231 1068588707 /nfs/dbraw/zinc/58/87/07/1068588707.db2.gz HPJHGOYNFQQHBG-GOSISDBHSA-N 0 0 450.988 4.765 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(Br)c(Cl)c3F)CC2)c1 ZINC001464015094 1068589262 /nfs/dbraw/zinc/58/92/62/1068589262.db2.gz KTNXSASWMLLAGZ-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN CN(CC1CCCCC1)C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001464021528 1068591013 /nfs/dbraw/zinc/59/10/13/1068591013.db2.gz JROAUIROGBWCSZ-HSZRJFAPSA-N 0 0 457.412 4.888 20 0 JJADRN CC(C)COc1ccc(S(=O)(=O)N[C@H]2CSCc3ccc(Br)cc32)cc1 ZINC001464027796 1068592967 /nfs/dbraw/zinc/59/29/67/1068592967.db2.gz FOZIPZSSDWYTLQ-IBGZPJMESA-N 0 0 456.427 4.750 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001464031229 1068593433 /nfs/dbraw/zinc/59/34/33/1068593433.db2.gz SMVSPHBVCRIKRM-QGZVFWFLSA-N 0 0 458.580 4.879 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001464030593 1068594038 /nfs/dbraw/zinc/59/40/38/1068594038.db2.gz YFAMZOSOSYCDAR-PGCGBBBBSA-N 0 0 451.588 4.777 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cccc2scnc21 ZINC001464032398 1068594719 /nfs/dbraw/zinc/59/47/19/1068594719.db2.gz FKXONEFYKBDLHS-IBGZPJMESA-N 0 0 456.511 4.981 20 0 JJADRN O=C(NC[C@@H]1CCCc2ccccc21)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001464034406 1068595119 /nfs/dbraw/zinc/59/51/19/1068595119.db2.gz SMIQFTVNOIRUBY-SFHVURJKSA-N 0 0 454.979 4.991 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1Cl ZINC001464037836 1068595715 /nfs/dbraw/zinc/59/57/15/1068595715.db2.gz UHOQXOFUJZNNAV-UHFFFAOYSA-N 0 0 455.772 4.681 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001464038959 1068596250 /nfs/dbraw/zinc/59/62/50/1068596250.db2.gz JXDMYWMWYJFBJH-KBXCAEBGSA-N 0 0 458.805 4.870 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)c1ccc2ccccc2c1F ZINC001464039442 1068596268 /nfs/dbraw/zinc/59/62/68/1068596268.db2.gz POWQTIQUSCFLGI-LHSJRXKWSA-N 0 0 464.356 4.892 20 0 JJADRN C[C@](O)(CC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC001464040254 1068596920 /nfs/dbraw/zinc/59/69/20/1068596920.db2.gz GJKMNOINHXZGHQ-SANMLTNESA-N 0 0 453.966 4.538 20 0 JJADRN Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001464041451 1068597381 /nfs/dbraw/zinc/59/73/81/1068597381.db2.gz IIKZWHGHGLGWSJ-UHFFFAOYSA-N 0 0 451.876 4.986 20 0 JJADRN O=C(c1cccc2nsnc21)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464040995 1068597572 /nfs/dbraw/zinc/59/75/72/1068597572.db2.gz JIIZSGYDNXJOAL-UHFFFAOYSA-N 0 0 453.951 4.558 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 ZINC001464041921 1068598088 /nfs/dbraw/zinc/59/80/88/1068598088.db2.gz BVOFKAVMIXHMFK-NRFANRHFSA-N 0 0 457.958 4.667 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC001464044572 1068598613 /nfs/dbraw/zinc/59/86/13/1068598613.db2.gz VEZPRJRPNLBTNE-GOSISDBHSA-N 0 0 453.404 4.788 20 0 JJADRN CCOCc1ccccc1CNC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001464046504 1068599118 /nfs/dbraw/zinc/59/91/18/1068599118.db2.gz HJALIEJUSMFNQJ-QFIPXVFZSA-N 0 0 452.551 4.722 20 0 JJADRN C[C@H](C(=O)N(Cc1cc(Br)ccc1F)C1CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001464056621 1068601729 /nfs/dbraw/zinc/60/17/29/1068601729.db2.gz HOWSEAICHKRPSU-CYBMUJFWSA-N 0 0 455.368 4.867 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2cc(Br)ccc2F)c2ccccc2)cc1 ZINC001464062073 1068602977 /nfs/dbraw/zinc/60/29/77/1068602977.db2.gz WJNZCGLERFHYDC-HXUWFJFHSA-N 0 0 450.329 4.665 20 0 JJADRN COc1cc(F)ccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O ZINC001464069770 1068604844 /nfs/dbraw/zinc/60/48/44/1068604844.db2.gz BYBGJECUFXFAGS-UHFFFAOYSA-N 0 0 459.271 4.807 20 0 JJADRN COC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)c2ccc(C(C)C)cc2)c1 ZINC001464073477 1068605570 /nfs/dbraw/zinc/60/55/70/1068605570.db2.gz OCUXQUNBMXUYEY-UHFFFAOYSA-N 0 0 454.386 4.573 20 0 JJADRN COc1cc(C2(C(=O)N3CCN(Cc4cc(Cl)ccc4OC)CC3)CCCC2)ccc1C ZINC001464072816 1068605777 /nfs/dbraw/zinc/60/57/77/1068605777.db2.gz XWXGKDWGTLDSNV-UHFFFAOYSA-N 0 0 457.014 4.822 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1 ZINC001464075784 1068607040 /nfs/dbraw/zinc/60/70/40/1068607040.db2.gz XPMQDPBKNFFNEF-LEWJYISDSA-N 0 0 459.631 4.872 20 0 JJADRN CCN(CC)C(=O)COc1cccc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC001464084117 1068608343 /nfs/dbraw/zinc/60/83/43/1068608343.db2.gz DXRAQDIJLRNJIK-UHFFFAOYSA-N 0 0 451.592 4.917 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)cc1 ZINC001464079565 1068608489 /nfs/dbraw/zinc/60/84/89/1068608489.db2.gz HOXGJNPMCHQUJT-IBGZPJMESA-N 0 0 454.386 4.772 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC001464086715 1068609665 /nfs/dbraw/zinc/60/96/65/1068609665.db2.gz DDAZMEWEOHIMIW-OAHLLOKOSA-N 0 0 456.568 4.970 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC001464089512 1068610957 /nfs/dbraw/zinc/61/09/57/1068610957.db2.gz YKNSLVPSVNHCEY-UHFFFAOYSA-N 0 0 451.611 4.951 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(S(=O)(=O)c1cc(F)cc(Cl)c1)CCC2 ZINC001464092690 1068612095 /nfs/dbraw/zinc/61/20/95/1068612095.db2.gz ZTEBPXJQEHICDW-UHFFFAOYSA-N 0 0 454.951 4.645 20 0 JJADRN Cn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001464096535 1068613181 /nfs/dbraw/zinc/61/31/81/1068613181.db2.gz KMSVQDXFSOTTSK-FQEVSTJZSA-N 0 0 452.555 4.624 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464099418 1068614645 /nfs/dbraw/zinc/61/46/45/1068614645.db2.gz BWECOGGPILNAAG-DZGCQCFKSA-N 0 0 454.695 4.956 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@](C)(Cc2ccccc2)C(C)C)CC1 ZINC001464101302 1068616113 /nfs/dbraw/zinc/61/61/13/1068616113.db2.gz MRJRJRKMUTZHOL-JYFHCDHNSA-N 0 0 457.014 4.603 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)c(C(C)(C)C)n1 ZINC001464102818 1068616158 /nfs/dbraw/zinc/61/61/58/1068616158.db2.gz BTKUDVVCPUATJZ-IBGZPJMESA-N 0 0 450.029 4.769 20 0 JJADRN C[C@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102712 1068616183 /nfs/dbraw/zinc/61/61/83/1068616183.db2.gz KBXASVGUMFRMNQ-KSSFIOAISA-N 0 0 451.386 4.558 20 0 JJADRN O=S(=O)(N[C@@H]1CCCSc2ccc(Br)cc21)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001464106374 1068617376 /nfs/dbraw/zinc/61/73/76/1068617376.db2.gz GTODWRDSVVDXEA-SUMDDJOVSA-N 0 0 456.402 4.991 20 0 JJADRN CC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)ccc21 ZINC001464105667 1068617384 /nfs/dbraw/zinc/61/73/84/1068617384.db2.gz GXGSZJBOFLNROF-WIYYLYMNSA-N 0 0 478.659 4.711 20 0 JJADRN O=C(NCC(F)(F)F)C1CCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)CC1 ZINC001464110035 1068618051 /nfs/dbraw/zinc/61/80/51/1068618051.db2.gz GXJDUOQRYATOAP-UHFFFAOYSA-N 0 0 451.316 4.722 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001464110705 1068618255 /nfs/dbraw/zinc/61/82/55/1068618255.db2.gz QNFCNWJQBZNNRL-ZIAGYGMSSA-N 0 0 470.579 4.861 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001464111041 1068618753 /nfs/dbraw/zinc/61/87/53/1068618753.db2.gz JIUJDABRLMHDNS-UHFFFAOYSA-N 0 0 451.972 4.752 20 0 JJADRN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001464112719 1068619363 /nfs/dbraw/zinc/61/93/63/1068619363.db2.gz MMDYGKUWGWXTEJ-UHFFFAOYSA-N 0 0 451.972 4.752 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC001464112674 1068619390 /nfs/dbraw/zinc/61/93/90/1068619390.db2.gz QDQFBIGDISYGCL-APPDUMDISA-N 0 0 465.196 4.907 20 0 JJADRN 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O=S(=O)(Cc1ccc(Br)cc1)NCC/C=C/c1ccc(Br)cc1 ZINC001464144784 1068633028 /nfs/dbraw/zinc/63/30/28/1068633028.db2.gz JEJABUOBNRRGCG-HNQUOIGGSA-N 0 0 459.203 4.735 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464143897 1068633235 /nfs/dbraw/zinc/63/32/35/1068633235.db2.gz HQQDRIMYFPERHS-QGZVFWFLSA-N 0 0 451.411 4.872 20 0 JJADRN Cc1ccc(S(=O)(=O)Oc2ccc3cccnc3c2Br)c(Br)c1 ZINC001464147422 1068633792 /nfs/dbraw/zinc/63/37/92/1068633792.db2.gz PEUUSDRPICXWAB-UHFFFAOYSA-N 0 0 457.143 4.836 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c2ccc(Br)cc2O1 ZINC001464149874 1068634417 /nfs/dbraw/zinc/63/44/17/1068634417.db2.gz DSLYZPWVYCEVOS-MRVPVSSYSA-N 0 0 455.132 4.871 20 0 JJADRN Cc1cc([C@H]2CCN(S(=O)(=O)Cc3ccc(Br)cc3C)C2)c(O)cc1Cl ZINC001464151530 1068634436 /nfs/dbraw/zinc/63/44/36/1068634436.db2.gz QODSFDFDWAWWDW-AWEZNQCLSA-N 0 0 458.805 4.744 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)cn2)c1 ZINC001464162558 1068638967 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Cc1cc(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)ccc1C(F)(F)F ZINC001464176953 1068644204 /nfs/dbraw/zinc/64/42/04/1068644204.db2.gz JEQMMWQUFNHNOZ-UHFFFAOYSA-N 0 0 450.523 4.520 20 0 JJADRN O=S(=O)(NCCc1c[nH]c2c1cccc2Cl)c1cc(Cl)ccc1OC(F)(F)F ZINC001464182662 1068646070 /nfs/dbraw/zinc/64/60/70/1068646070.db2.gz IYCLETXZBOKNHX-UHFFFAOYSA-N 0 0 453.269 4.894 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001464184238 1068647022 /nfs/dbraw/zinc/64/70/22/1068647022.db2.gz JOUIYQKLRGBSCY-SFHVURJKSA-N 0 0 452.551 4.676 20 0 JJADRN O=C(Nc1cccc(-n2cccn2)c1)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001464186838 1068647466 /nfs/dbraw/zinc/64/74/66/1068647466.db2.gz GROBXAUYTGJVKZ-OAHLLOKOSA-N 0 0 459.291 4.528 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001464186026 1068647545 /nfs/dbraw/zinc/64/75/45/1068647545.db2.gz JQAAGJXMKXFYCP-PFONDFGASA-N 0 0 450.432 4.549 20 0 JJADRN Cc1ccc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC001464188497 1068648268 /nfs/dbraw/zinc/64/82/68/1068648268.db2.gz KLKAQWLTGNHKJO-UHFFFAOYSA-N 0 0 459.955 4.884 20 0 JJADRN CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C/C(C)=C\c2ccccc2)CCCC1 ZINC001546144953 1068648438 /nfs/dbraw/zinc/64/84/38/1068648438.db2.gz YAXZMXIDFPOUSE-JXAXNMIRSA-N 0 0 456.656 4.690 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC001464190245 1068648874 /nfs/dbraw/zinc/64/88/74/1068648874.db2.gz UPFHJLLMWLTYCN-UHFFFAOYSA-N 0 0 456.395 4.843 20 0 JJADRN COC(=O)CCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 ZINC001464190373 1068649636 /nfs/dbraw/zinc/64/96/36/1068649636.db2.gz SHVMELYPNUARMW-UHFFFAOYSA-N 0 0 457.530 4.726 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001464191472 1068650274 /nfs/dbraw/zinc/65/02/74/1068650274.db2.gz BMHXXXGFAXQCLT-DLBZAZTESA-N 0 0 452.451 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccnc(OCC(F)(F)F)c1)C1CCCCCC1 ZINC001464192190 1068650854 /nfs/dbraw/zinc/65/08/54/1068650854.db2.gz JSSXJIFENGPABY-GOSISDBHSA-N 0 0 459.509 4.503 20 0 JJADRN Cc1cc(S(=O)(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)c(C)cc1Br ZINC001464195406 1068651626 /nfs/dbraw/zinc/65/16/26/1068651626.db2.gz LJYTVZSAZXDMBJ-UHFFFAOYSA-N 0 0 459.768 4.861 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)NCc3ccnc(-c4ccccc4)c3)ccc2s1 ZINC001464195117 1068651644 /nfs/dbraw/zinc/65/16/44/1068651644.db2.gz ITRPHZODQZIJMT-UHFFFAOYSA-N 0 0 452.557 4.619 20 0 JJADRN C[C@@H](CNC(=O)c1cc2cc(Br)ccc2s1)N1CCN(c2ccccc2)CC1 ZINC001464196782 1068652112 /nfs/dbraw/zinc/65/21/12/1068652112.db2.gz KNIWELYYPALJOH-INIZCTEOSA-N 0 0 458.425 4.604 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3cccc(COCc4ccccc4)c3)[nH]n2)c(OC)c1 ZINC001464195653 1068652160 /nfs/dbraw/zinc/65/21/60/1068652160.db2.gz WMMXWYLSCOVASU-UHFFFAOYSA-N 0 0 457.530 4.741 20 0 JJADRN Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001464195705 1068652197 /nfs/dbraw/zinc/65/21/97/1068652197.db2.gz XMNXHYXJSJLHCZ-CYBMUJFWSA-N 0 0 454.324 4.601 20 0 JJADRN C[C@H](CNC(=O)c1cc2cc(Br)ccc2s1)N1CCN(c2ccccc2)CC1 ZINC001464196784 1068652221 /nfs/dbraw/zinc/65/22/21/1068652221.db2.gz KNIWELYYPALJOH-MRXNPFEDSA-N 0 0 458.425 4.604 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC001546145022 1068652692 /nfs/dbraw/zinc/65/26/92/1068652692.db2.gz ZIHLPUSOPLUMJN-UHFFFAOYSA-N 0 0 467.427 4.957 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC001464200282 1068654258 /nfs/dbraw/zinc/65/42/58/1068654258.db2.gz JUEXVZUCKLXVGR-UHFFFAOYSA-N 0 0 453.551 4.655 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCc2ccc(Br)c(F)c2F)c2ccccc12 ZINC001464200994 1068654348 /nfs/dbraw/zinc/65/43/48/1068654348.db2.gz KGQBTEGHYRQNCN-UHFFFAOYSA-N 0 0 456.308 4.758 20 0 JJADRN CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1 ZINC001464204683 1068656041 /nfs/dbraw/zinc/65/60/41/1068656041.db2.gz FCORLJSJRBGBQT-IBGZPJMESA-N 0 0 452.942 4.543 20 0 JJADRN CCCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205725 1068656193 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PZJVKHDGZIHAGH-XLIONFOSSA-N 0 0 451.350 4.851 20 0 JJADRN C[C@@](O)(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc(F)cc1 ZINC001464207989 1068657983 /nfs/dbraw/zinc/65/79/83/1068657983.db2.gz SIOZOJRFOZPXHM-URXFXBBRSA-N 0 0 458.986 4.664 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2cc(Br)c(Cl)cc21 ZINC001464207755 1068657996 /nfs/dbraw/zinc/65/79/96/1068657996.db2.gz VNISUGTYWPESKF-UHFFFAOYSA-N 0 0 456.667 4.753 20 0 JJADRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC001464208537 1068658148 /nfs/dbraw/zinc/65/81/48/1068658148.db2.gz UGIPZTGGOBCQIX-NYHFZMIOSA-N 0 0 457.043 4.836 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC001464208490 1068658832 /nfs/dbraw/zinc/65/88/32/1068658832.db2.gz DAJHVCVXTBMARH-HXUWFJFHSA-N 0 0 454.574 4.803 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC001464208459 1068658850 /nfs/dbraw/zinc/65/88/50/1068658850.db2.gz CVAMODDYVCYQBA-IBGZPJMESA-N 0 0 459.631 4.696 20 0 JJADRN CCCC(=O)Nc1cccc(CNC(=O)Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1 ZINC001464211938 1068659852 /nfs/dbraw/zinc/65/98/52/1068659852.db2.gz ARKJFYDJHWRZIZ-UHFFFAOYSA-N 0 0 451.567 4.582 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1 ZINC001464216875 1068661017 /nfs/dbraw/zinc/66/10/17/1068661017.db2.gz XHESUPCXYDUHMP-MRXNPFEDSA-N 0 0 450.564 4.850 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c[nH]nc3-c3cccc(Cl)c3)c2)cc1 ZINC001464224598 1068665098 /nfs/dbraw/zinc/66/50/98/1068665098.db2.gz SYWMEVVXFRYGAU-UHFFFAOYSA-N 0 0 458.949 4.899 20 0 JJADRN C[C@@H](CN(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C1CCCCC1 ZINC001464227945 1068665585 /nfs/dbraw/zinc/66/55/85/1068665585.db2.gz HXOAGNUCCWVOHM-WPYKKVEZSA-N 0 0 450.645 4.560 20 0 JJADRN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001464228158 1068665805 /nfs/dbraw/zinc/66/58/05/1068665805.db2.gz DXDKQRDELOBLLQ-UHFFFAOYSA-N 0 0 450.401 4.533 20 0 JJADRN Cc1cccc(NC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)N1CCCC1 ZINC001464231455 1068666949 /nfs/dbraw/zinc/66/69/49/1068666949.db2.gz UAPKFYMIYDCFJS-LJQANCHMSA-N 0 0 457.615 4.843 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464235092 1068668379 /nfs/dbraw/zinc/66/83/79/1068668379.db2.gz JYVOHAQPKRGXSF-HNNXBMFYSA-N 0 0 451.473 4.595 20 0 JJADRN Cc1ccc(OCCCCNC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001464238628 1068669814 /nfs/dbraw/zinc/66/98/14/1068669814.db2.gz UBLNSJZXXWZZKD-HSZRJFAPSA-N 0 0 454.636 4.783 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)cc(OC)c1OC ZINC001464239357 1068670607 /nfs/dbraw/zinc/67/06/07/1068670607.db2.gz WDYFIRNFRMKDRO-MRXNPFEDSA-N 0 0 450.535 4.951 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC001464238996 1068670651 /nfs/dbraw/zinc/67/06/51/1068670651.db2.gz ONCZRRJJEJIGJO-WCQYABFASA-N 0 0 454.777 4.546 20 0 JJADRN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1c(Cl)cccc1OCC1CC1 ZINC001464240068 1068671191 /nfs/dbraw/zinc/67/11/91/1068671191.db2.gz LYOVCUPIFGHAPG-UHFFFAOYSA-N 0 0 459.255 4.774 20 0 JJADRN O=S(=O)(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1ccccc1OC(F)(F)F ZINC001464241017 1068671224 /nfs/dbraw/zinc/67/12/24/1068671224.db2.gz NLDNGOFNHZXZCX-UHFFFAOYSA-N 0 0 452.376 4.606 20 0 JJADRN O=S(=O)(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1sccc1Br ZINC001464240882 1068671273 /nfs/dbraw/zinc/67/12/73/1068671273.db2.gz KIQWVNPAQRVVIL-UHFFFAOYSA-N 0 0 453.305 4.532 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)cc2F)C[C@H](C)O1 ZINC001464243384 1068673154 /nfs/dbraw/zinc/67/31/54/1068673154.db2.gz WWNXSBASUHGVIT-GASCZTMLSA-N 0 0 459.518 4.744 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)O2 ZINC001464243306 1068673183 /nfs/dbraw/zinc/67/31/83/1068673183.db2.gz WCAMUBHTHVNZHD-OXWSONJVSA-N 0 0 456.558 4.793 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC001464246086 1068674110 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450.843 4.554 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)C(=O)[C@H](F)C3CN(C(=O)OC(C)(C)C)C3)ccc21 ZINC001464261996 1068679920 /nfs/dbraw/zinc/67/99/20/1068679920.db2.gz RGOZMFIYPLAQBM-HSZRJFAPSA-N 0 0 453.558 4.978 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)Oc2c(Cl)ccc3ccccc32)ccc1Br ZINC001464263941 1068680561 /nfs/dbraw/zinc/68/05/61/1068680561.db2.gz XUJFYCYMEBNQGN-UHFFFAOYSA-N 0 0 455.713 4.810 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC001464265430 1068681192 /nfs/dbraw/zinc/68/11/92/1068681192.db2.gz SZHNUXBMJGJXJE-UHFFFAOYSA-N 0 0 452.570 4.678 20 0 JJADRN O=S(=O)(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(Br)sc1Cl ZINC001464265821 1068681253 /nfs/dbraw/zinc/68/12/53/1068681253.db2.gz SUANQXFOWCMHIB-MFKMUULPSA-N 0 0 475.188 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CCNS(=O)(=O)c2cccc3c2CCCC3)c2ccccc21 ZINC001464265630 1068681272 /nfs/dbraw/zinc/68/12/72/1068681272.db2.gz RVBQSKBAGVAFHW-LJQANCHMSA-N 0 0 456.608 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001464265332 1068681286 /nfs/dbraw/zinc/68/12/86/1068681286.db2.gz BUNBPPBFVJXOFP-UHFFFAOYSA-N 0 0 450.457 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001464269101 1068682018 /nfs/dbraw/zinc/68/20/18/1068682018.db2.gz INUOMAPNAGGMCW-UHFFFAOYSA-N 0 0 452.542 4.762 20 0 JJADRN CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](CC)c2cc(C)ccc2C)c1 ZINC001464266261 1068682080 /nfs/dbraw/zinc/68/20/80/1068682080.db2.gz FYJHVAFVYHILTR-LJQANCHMSA-N 0 0 454.386 4.672 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)Cc2cccnc2Br)cc1 ZINC001464269183 1068682585 /nfs/dbraw/zinc/68/25/85/1068682585.db2.gz FUSLUIQMPWYCSD-UHFFFAOYSA-N 0 0 456.340 4.679 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC001464270495 1068683266 /nfs/dbraw/zinc/68/32/66/1068683266.db2.gz RGBANYXRTXFZHS-VEYUGKFFSA-N 0 0 452.599 4.527 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1F ZINC001464270620 1068683325 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SWIDMWLIOPOUBR-OXQOHEQNSA-N 0 0 453.539 4.638 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC001464278490 1068687413 /nfs/dbraw/zinc/68/74/13/1068687413.db2.gz GCFJYSCCFVOUCB-BPAFIMBUSA-N 0 0 452.979 4.872 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001464279304 1068688064 /nfs/dbraw/zinc/68/80/64/1068688064.db2.gz BHARECOQHDWOML-HYVLGVRCSA-N 0 0 466.626 4.797 20 0 JJADRN C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280993 1068689468 /nfs/dbraw/zinc/68/94/68/1068689468.db2.gz JZNARUKDLKOZQH-WNSKOXEYSA-N 0 0 454.933 4.536 20 0 JJADRN O=S(=O)(c1cnc2c(Br)csc2c1)N1CCC(c2ccc(F)cc2)CC1 ZINC001464284177 1068690820 /nfs/dbraw/zinc/69/08/20/1068690820.db2.gz HIGQUNDJYONCIM-UHFFFAOYSA-N 0 0 455.374 4.766 20 0 JJADRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC001464291603 1068693347 /nfs/dbraw/zinc/69/33/47/1068693347.db2.gz CYPNDINOWQPZGW-GOSISDBHSA-N 0 0 453.530 4.545 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCCC1 ZINC001464290994 1068693393 /nfs/dbraw/zinc/69/33/93/1068693393.db2.gz RKNFXEFUPFMIQB-UHFFFAOYSA-N 0 0 452.555 4.624 20 0 JJADRN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001464290986 1068693430 /nfs/dbraw/zinc/69/34/30/1068693430.db2.gz BRCGOBDSUWPYIN-OWCLPIDISA-N 0 0 459.452 4.713 20 0 JJADRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC001464291626 1068693513 /nfs/dbraw/zinc/69/35/13/1068693513.db2.gz CYPNDINOWQPZGW-SFHVURJKSA-N 0 0 453.530 4.545 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCCc3cn(C)c4ncccc34)cc2)cc1 ZINC001464293207 1068694882 /nfs/dbraw/zinc/69/48/82/1068694882.db2.gz LFAMWWHJZGHLBB-UHFFFAOYSA-N 0 0 453.589 4.609 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001464293416 1068694937 /nfs/dbraw/zinc/69/49/37/1068694937.db2.gz LMKZANUWEARYHI-WBVHZDCISA-N 0 0 454.514 4.561 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC001464293009 1068695024 /nfs/dbraw/zinc/69/50/24/1068695024.db2.gz LURPEIJLWOSHQR-UHFFFAOYSA-N 0 0 455.502 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1(F)F ZINC001464296652 1068695615 /nfs/dbraw/zinc/69/56/15/1068695615.db2.gz FRQGBYHAPICSRA-UKRRQHHQSA-N 0 0 457.930 4.732 20 0 JJADRN CCOC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001464295456 1068695654 /nfs/dbraw/zinc/69/56/54/1068695654.db2.gz HFPBCWNVLBUQFR-SFHVURJKSA-N 0 0 455.498 4.839 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464297070 1068695664 /nfs/dbraw/zinc/69/56/64/1068695664.db2.gz JRBVORSPXMBKDO-SFHVURJKSA-N 0 0 457.615 4.971 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1Br ZINC001464304289 1068698365 /nfs/dbraw/zinc/69/83/65/1068698365.db2.gz TWNMHSOVQRNZEV-UHFFFAOYSA-N 0 0 452.761 4.993 20 0 JJADRN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)[C@H]1C[C@H](c2ccccc2)OC1=O 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BYMRWELOMQWJLR-GOSISDBHSA-N 0 0 473.612 4.859 20 0 JJADRN CC(C)(C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)c1ccc(C(F)(F)F)cc1 ZINC001464315190 1068701685 /nfs/dbraw/zinc/70/16/85/1068701685.db2.gz AOYFBJUNJYZUJL-AWEZNQCLSA-N 0 0 453.892 4.909 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC001464314047 1068701751 /nfs/dbraw/zinc/70/17/51/1068701751.db2.gz RAWSOCFWZNLGOT-JOCHJYFZSA-N 0 0 451.567 4.826 20 0 JJADRN CC[C@@H](CC(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)C(C)(C)C ZINC001464314686 1068701824 /nfs/dbraw/zinc/70/18/24/1068701824.db2.gz YPNZFHBQQQQERY-KRWDZBQOSA-N 0 0 452.521 4.862 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001464316181 1068702216 /nfs/dbraw/zinc/70/22/16/1068702216.db2.gz DLBKCQGTBOUPKC-HXUWFJFHSA-N 0 0 458.002 4.935 20 0 JJADRN CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001464317281 1068702617 /nfs/dbraw/zinc/70/26/17/1068702617.db2.gz HVNHOSSMCBRYNO-HKUYNNGSSA-N 0 0 458.400 4.599 20 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Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001464321214 1068704631 /nfs/dbraw/zinc/70/46/31/1068704631.db2.gz PKTPLAPFPQYOGW-IBGZPJMESA-N 0 0 455.986 4.910 20 0 JJADRN Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001464322910 1068705691 /nfs/dbraw/zinc/70/56/91/1068705691.db2.gz PNUHTJDQYIGOIJ-GOSISDBHSA-N 0 0 455.388 4.530 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)ccn2)cc1 ZINC001464322570 1068705700 /nfs/dbraw/zinc/70/57/00/1068705700.db2.gz VVSLFDFQQNVZGI-RUZDIDTESA-N 0 0 455.555 4.678 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)Cc3ccc(Br)cc3)C2)n1 ZINC001464324128 1068706322 /nfs/dbraw/zinc/70/63/22/1068706322.db2.gz XOAQFSTYMMNXNS-SFHVURJKSA-N 0 0 458.400 4.599 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cc1C ZINC001464328207 1068707901 /nfs/dbraw/zinc/70/79/01/1068707901.db2.gz PAQRNIJUBZNXII-UHFFFAOYSA-N 0 0 455.986 4.730 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001464329541 1068707926 /nfs/dbraw/zinc/70/79/26/1068707926.db2.gz KAXRAKXFKVGXDE-UHFFFAOYSA-N 0 0 457.489 4.733 20 0 JJADRN O=S(=O)(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc(Br)c(F)cc1F ZINC001464330296 1068708477 /nfs/dbraw/zinc/70/84/77/1068708477.db2.gz WJDPWPGIFIINHX-WBVHZDCISA-N 0 0 466.731 4.579 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331765 1068709121 /nfs/dbraw/zinc/70/91/21/1068709121.db2.gz DYXOWKKEMLDCHN-AREMUKBSSA-N 0 0 456.590 4.670 20 0 JJADRN CCCOc1ccnc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)n1 ZINC001464341255 1068712897 /nfs/dbraw/zinc/71/28/97/1068712897.db2.gz XSCNCJSUVSWXBR-QFIPXVFZSA-N 0 0 458.331 4.615 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)c(F)c1 ZINC001464342971 1068713245 /nfs/dbraw/zinc/71/32/45/1068713245.db2.gz XSXQZGWADMYBET-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1(C)C ZINC001464343089 1068713534 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Cc1cc(CN(C)C(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)cc(C)c1OCC(F)(F)F ZINC001464356776 1068717845 /nfs/dbraw/zinc/71/78/45/1068717845.db2.gz IYLPZYGKDAWHCG-UHFFFAOYSA-N 0 0 458.521 4.993 20 0 JJADRN Cc1ccc([C@H](CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)N2CCOCC2)cc1 ZINC001464358290 1068718352 /nfs/dbraw/zinc/71/83/52/1068718352.db2.gz UKVVYFCVMVIRGD-KRWDZBQOSA-N 0 0 455.407 4.516 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC001464359222 1068718426 /nfs/dbraw/zinc/71/84/26/1068718426.db2.gz YPEWFDRGRDQSBZ-UHFFFAOYSA-N 0 0 451.870 4.510 20 0 JJADRN CCCNC(=O)CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC)cc1 ZINC001464359503 1068718876 /nfs/dbraw/zinc/71/88/76/1068718876.db2.gz KINKFCFMJPYYTH-CZIZESTLSA-N 0 0 457.574 4.766 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)n1-c1ccn(C)n1 ZINC001464360658 1068718986 /nfs/dbraw/zinc/71/89/86/1068718986.db2.gz SPTXVELDTHKOQB-KRWDZBQOSA-N 0 0 459.525 4.710 20 0 JJADRN Cc1ccc2ccccc2c1OS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001464362855 1068719458 /nfs/dbraw/zinc/71/94/58/1068719458.db2.gz WZTHHHULLQMJIS-NRFANRHFSA-N 0 0 453.560 4.906 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC001464361662 1068719630 /nfs/dbraw/zinc/71/96/30/1068719630.db2.gz UUMDVQBXRRFYMA-UHFFFAOYSA-N 0 0 457.615 4.607 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)c4ccc(I)cn4)CC3)c[nH]c21 ZINC001464364115 1068720068 /nfs/dbraw/zinc/72/00/68/1068720068.db2.gz NGJQUZDGUUCZNE-UHFFFAOYSA-N 0 0 459.331 4.750 20 0 JJADRN CCC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001546146423 1068720132 /nfs/dbraw/zinc/72/01/32/1068720132.db2.gz QIPQJVHQEVMJND-OAQYLSRUSA-N 0 0 472.502 4.867 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCC(C)CC3)n2)n1 ZINC001464363507 1068720145 /nfs/dbraw/zinc/72/01/45/1068720145.db2.gz WLIVPSRGSBRXLP-UHFFFAOYSA-N 0 0 451.958 4.662 20 0 JJADRN O=S(=O)(c1cc(Br)c(Cl)cc1Cl)N1CCc2cc(F)c(F)cc2C1 ZINC001464372183 1068721614 /nfs/dbraw/zinc/72/16/14/1068721614.db2.gz 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1068756455 /nfs/dbraw/zinc/75/64/55/1068756455.db2.gz OXCILKPAJGUELU-CQSZACIVSA-N 0 0 457.739 4.942 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCC1(c3cccc(C(F)(F)F)c3)CCOCC1)C2 ZINC001464466984 1068757371 /nfs/dbraw/zinc/75/73/71/1068757371.db2.gz WGXSTIOWDZHWGI-AABGKKOBSA-N 0 0 482.543 4.658 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC001464468615 1068757843 /nfs/dbraw/zinc/75/78/43/1068757843.db2.gz HRMOVIFUYUTBIS-FXAWDEMLSA-N 0 0 450.501 4.742 20 0 JJADRN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccnc(Cl)c2Br)cc1 ZINC001464469608 1068758333 /nfs/dbraw/zinc/75/83/33/1068758333.db2.gz XMDSHCHMFANHSF-UHFFFAOYSA-N 0 0 458.743 4.722 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)n2)cc1 ZINC001464471586 1068759542 /nfs/dbraw/zinc/75/95/42/1068759542.db2.gz YBSYQXZDIYULCX-UHFFFAOYSA-N 0 0 456.333 4.612 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001464472917 1068759649 /nfs/dbraw/zinc/75/96/49/1068759649.db2.gz RYYBDJXWPRQANP-LBPRGKRZSA-N 0 0 454.777 4.547 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001464476910 1068760099 /nfs/dbraw/zinc/76/00/99/1068760099.db2.gz QBBWDHJCEZCAEX-UHFFFAOYSA-N 0 0 455.530 4.693 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001464478483 1068760835 /nfs/dbraw/zinc/76/08/35/1068760835.db2.gz MERVIICQJDRORV-OAQYLSRUSA-N 0 0 454.567 4.772 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001464480012 1068761270 /nfs/dbraw/zinc/76/12/70/1068761270.db2.gz ZUFYVRFCBURPFK-FQEVSTJZSA-N 0 0 454.311 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cccc(COCC4CC4)c3)cn2)C1 ZINC001464480350 1068761288 /nfs/dbraw/zinc/76/12/88/1068761288.db2.gz OHFYDYZPWHCSNY-QFIPXVFZSA-N 0 0 454.571 4.634 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncc2ncn(C)c21 ZINC001464480792 1068761894 /nfs/dbraw/zinc/76/18/94/1068761894.db2.gz PQYZKZGJCRYSEY-UHFFFAOYSA-N 0 0 453.424 4.800 20 0 JJADRN CCOC(=O)c1ccc(N2CCCN(C(=O)CCCc3csc4ccccc34)CC2)nc1 ZINC001464482070 1068762407 /nfs/dbraw/zinc/76/24/07/1068762407.db2.gz AXKUXNFCYWZKOG-UHFFFAOYSA-N 0 0 451.592 4.535 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)C3(Nc4ccccc4)CC3)cc2Cl)n1 ZINC001464485425 1068762852 /nfs/dbraw/zinc/76/28/52/1068762852.db2.gz MCPBITVKSPIFJK-KRWDZBQOSA-N 0 0 451.958 4.936 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1NCC(F)(F)F ZINC001464485366 1068763025 /nfs/dbraw/zinc/76/30/25/1068763025.db2.gz LMNWUQVPBCGGLE-UHFFFAOYSA-N 0 0 453.892 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC001464490316 1068764573 /nfs/dbraw/zinc/76/45/73/1068764573.db2.gz BMEVQBXMPBWFCJ-OAQYLSRUSA-N 0 0 452.530 4.877 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)c2cc3ccccc3cc2OC(F)F)C(=O)OC)cc1 ZINC001464491339 1068765238 /nfs/dbraw/zinc/76/52/38/1068765238.db2.gz PPYAUGWUGBHRKU-IBGZPJMESA-N 0 0 457.473 4.602 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001464492666 1068765687 /nfs/dbraw/zinc/76/56/87/1068765687.db2.gz LCWQAWGYERMQGN-UHFFFAOYSA-N 0 0 455.285 4.639 20 0 JJADRN O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1[nH]c2ccc(Br)cc2c1Cl ZINC001464494951 1068766220 /nfs/dbraw/zinc/76/62/20/1068766220.db2.gz BGBYIPSVKALQCX-UHFFFAOYSA-N 0 0 456.123 4.938 20 0 JJADRN O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 ZINC001464503424 1068767562 /nfs/dbraw/zinc/76/75/62/1068767562.db2.gz WVJOBDPMBVLMEK-UHFFFAOYSA-N 0 0 458.892 4.622 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3CCNC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC001464507761 1068768824 /nfs/dbraw/zinc/76/88/24/1068768824.db2.gz RGFCLGVWAVVBGL-RTBURBONSA-N 0 0 453.583 4.620 20 0 JJADRN CC(C)[C@@H](C)N(c1ccccc1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001464509652 1068769358 /nfs/dbraw/zinc/76/93/58/1068769358.db2.gz SVKQWGKQBDJYSS-MZYLBHOOSA-N 0 0 458.624 4.962 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC001464511040 1068769475 /nfs/dbraw/zinc/76/94/75/1068769475.db2.gz INHCNLGTVBLMSX-UHFFFAOYSA-N 0 0 459.571 4.835 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001464511345 1068769525 /nfs/dbraw/zinc/76/95/25/1068769525.db2.gz DZMALMPTHAQASV-HXUWFJFHSA-N 0 0 455.643 4.856 20 0 JJADRN CNS(=O)(=O)c1csc(C(=O)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)c1 ZINC001464512009 1068769532 /nfs/dbraw/zinc/76/95/32/1068769532.db2.gz IMYIHJKEORLMSF-UHFFFAOYSA-N 0 0 452.598 4.575 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)s1 ZINC001464514110 1068769858 /nfs/dbraw/zinc/76/98/58/1068769858.db2.gz RZLPYJYQNIRECX-UHFFFAOYSA-N 0 0 458.584 4.603 20 0 JJADRN Cc1nc([C@H]2CCCN2S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]c1C ZINC001464515125 1068770089 /nfs/dbraw/zinc/77/00/89/1068770089.db2.gz HEFWQOIQNJVDCV-OAHLLOKOSA-N 0 0 456.515 4.695 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2F)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001464517142 1068770692 /nfs/dbraw/zinc/77/06/92/1068770692.db2.gz BEDVLAOPXMTXSW-IBGZPJMESA-N 0 0 451.517 4.693 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)c2)n1 ZINC001464517471 1068771267 /nfs/dbraw/zinc/77/12/67/1068771267.db2.gz DCZVQMAZODEOPP-HXUWFJFHSA-N 0 0 454.477 4.951 20 0 JJADRN CC(C)CCOCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001464520475 1068771756 /nfs/dbraw/zinc/77/17/56/1068771756.db2.gz JZZYLFLTWDSUOI-UHFFFAOYSA-N 0 0 453.839 4.972 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001464524164 1068772948 /nfs/dbraw/zinc/77/29/48/1068772948.db2.gz YEYBWFLZHOTGOD-UKQGIEBLSA-N 0 0 455.377 4.893 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)OC(C)(C)C3)c2)cc1 ZINC001464528048 1068773489 /nfs/dbraw/zinc/77/34/89/1068773489.db2.gz RDWAMSPGDDDBJV-LJQANCHMSA-N 0 0 458.624 4.778 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001464530793 1068773960 /nfs/dbraw/zinc/77/39/60/1068773960.db2.gz UDXHNWGMXMYFGR-UHFFFAOYSA-N 0 0 453.414 4.534 20 0 JJADRN C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001464530344 1068774028 /nfs/dbraw/zinc/77/40/28/1068774028.db2.gz PORZVNQEWFIESX-INIZCTEOSA-N 0 0 455.352 4.756 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001464535714 1068775160 /nfs/dbraw/zinc/77/51/60/1068775160.db2.gz CBUJLDDSNAUPFZ-HNNXBMFYSA-N 0 0 454.439 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)(n2cccn2)CC1 ZINC001464539815 1068776332 /nfs/dbraw/zinc/77/63/32/1068776332.db2.gz ARYIWVKXEIEWBP-OAQYLSRUSA-N 0 0 452.599 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC001464540653 1068776738 /nfs/dbraw/zinc/77/67/38/1068776738.db2.gz LBUFUNFQUMJCOA-NRFANRHFSA-N 0 0 452.555 4.521 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001464542565 1068777314 /nfs/dbraw/zinc/77/73/14/1068777314.db2.gz NTLXRQXAICDDIN-OAQYLSRUSA-N 0 0 456.562 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)CC1 ZINC001464548295 1068778267 /nfs/dbraw/zinc/77/82/67/1068778267.db2.gz XAVPRKGUZBHMBD-WOJBJXKFSA-N 0 0 450.526 4.725 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)CC2 ZINC001464555598 1068780196 /nfs/dbraw/zinc/78/01/96/1068780196.db2.gz VHOGTIOYMAHXPT-UHFFFAOYSA-N 0 0 455.498 4.657 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)C(F)(F)F)o1 ZINC001464556290 1068780515 /nfs/dbraw/zinc/78/05/15/1068780515.db2.gz NRDXOEOPTOEFEG-HSZRJFAPSA-N 0 0 458.436 4.570 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCC(=O)N1CCCCCC1)CC1CCCCC1 ZINC001464556206 1068780583 /nfs/dbraw/zinc/78/05/83/1068780583.db2.gz MNPUIVFEBVBERW-OAQYLSRUSA-N 0 0 451.652 4.539 20 0 JJADRN O=C(NCCc1cccs1)C1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001464558393 1068781163 /nfs/dbraw/zinc/78/11/63/1068781163.db2.gz IOVAOFRPIZWPPD-PMACEKPBSA-N 0 0 451.419 4.756 20 0 JJADRN O=C(NCCc1cccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001464558402 1068781411 /nfs/dbraw/zinc/78/14/11/1068781411.db2.gz IOVAOFRPIZWPPD-VQTJNVASSA-N 0 0 451.419 4.756 20 0 JJADRN CC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC001464559854 1068781733 /nfs/dbraw/zinc/78/17/33/1068781733.db2.gz FQMJQTFQDXRNKE-UHFFFAOYSA-N 0 0 458.183 4.580 20 0 JJADRN COc1ccc(I)c(NC(=O)c2cccc(Nc3nccs3)c2)c1 ZINC001464560873 1068782325 /nfs/dbraw/zinc/78/23/25/1068782325.db2.gz YXQSGBIZISRUMV-UHFFFAOYSA-N 0 0 451.289 4.752 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cnc(C2(C)OCCO2)s1 ZINC001464566086 1068783723 /nfs/dbraw/zinc/78/37/23/1068783723.db2.gz RRHCWWFKRMSHNF-SFHVURJKSA-N 0 0 452.576 4.645 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)CC[C@H]1c1ccc(C)o1 ZINC001464566588 1068784112 /nfs/dbraw/zinc/78/41/12/1068784112.db2.gz VANZQCJMHYTGJV-GRSYGWAWSA-N 0 0 454.567 4.876 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(Br)n1 ZINC001464568918 1068784577 /nfs/dbraw/zinc/78/45/77/1068784577.db2.gz BVKSYYOFLZVAPI-DLBZAZTESA-N 0 0 452.393 4.547 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001464568133 1068784722 /nfs/dbraw/zinc/78/47/22/1068784722.db2.gz UKENVGHVSAXHOP-OAQYLSRUSA-N 0 0 450.966 4.941 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)c2)cn1 ZINC001464568991 1068785090 /nfs/dbraw/zinc/78/50/90/1068785090.db2.gz CDALJLCXEOGZMD-FCHUYYIVSA-N 0 0 456.562 4.620 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001464569039 1068785172 /nfs/dbraw/zinc/78/51/72/1068785172.db2.gz XLFNXUQALILYHK-GOSISDBHSA-N 0 0 454.567 4.576 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC001464569482 1068785732 /nfs/dbraw/zinc/78/57/32/1068785732.db2.gz JRQLAWDZHQVDMA-HSZRJFAPSA-N 0 0 459.464 4.973 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC001464572741 1068786907 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Cc1nc(CO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825023 720391244 /nfs/dbraw/zinc/39/12/44/720391244.db2.gz TVFYKIVICDEACB-VIZSFHNOSA-N 0 0 499.706 4.622 20 0 JJADRN COc1ccc2nc(C(F)(F)N3C[C@H](OCc4csc(C)n4)[C@H]4OCCC[C@H]43)nc(Cl)c2c1 ZINC001164821546 720391792 /nfs/dbraw/zinc/39/17/92/720391792.db2.gz HQJIXXJIVOYCHX-QYZOEREBSA-N 0 0 496.967 4.555 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(-c4cccs4)nnc3Cl)O2)n1 ZINC001164826167 720409108 /nfs/dbraw/zinc/40/91/08/720409108.db2.gz CPPMXLZZPVYYTO-KFWWJZLASA-N 0 0 453.902 4.594 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828741 720409692 /nfs/dbraw/zinc/40/96/92/720409692.db2.gz KRAFZYNMQQUPIJ-ZCNNSNEGSA-N 0 0 476.606 4.610 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3O[C@@H](c4nc(C)no4)CC[C@@H]32)c(Cl)nn1 ZINC001164829890 720411519 /nfs/dbraw/zinc/41/15/19/720411519.db2.gz OPFSCVJFIMDYOB-YTQUADARSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)O2)n1 ZINC001164829264 720411711 /nfs/dbraw/zinc/41/17/11/720411711.db2.gz MEMWKAAVPOHPIV-KURKYZTESA-N 0 0 465.863 4.671 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(Cl)nn1 ZINC001164829881 720411941 /nfs/dbraw/zinc/41/19/41/720411941.db2.gz OPFSCVJFIMDYOB-NEWSRXKRSA-N 0 0 477.899 4.541 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]21 ZINC001164826398 720417878 /nfs/dbraw/zinc/41/78/78/720417878.db2.gz QFCLQTNRIHMVJK-SBHAEUEKSA-N 0 0 463.956 4.560 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164735966 720423169 /nfs/dbraw/zinc/42/31/69/720423169.db2.gz ZZEKWYWRSCXFPW-YADHBBJMSA-N 0 0 498.961 4.982 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC001164824217 720423509 /nfs/dbraw/zinc/42/35/09/720423509.db2.gz JZRKQRCBUHTLMI-LLGFUMIMSA-N 0 0 481.946 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]21 ZINC001164825678 720426433 /nfs/dbraw/zinc/42/64/33/720426433.db2.gz OIHTZXOIMCZBCY-VKJFTORMSA-N 0 0 469.985 4.622 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]21 ZINC001164824372 720426504 /nfs/dbraw/zinc/42/65/04/720426504.db2.gz LBQLFRFFNLDUAJ-LVCYWYKZSA-N 0 0 470.004 4.941 20 0 JJADRN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731787 720480661 /nfs/dbraw/zinc/48/06/61/720480661.db2.gz XTTBFOCYGRBOOD-FCHUYYIVSA-N 0 0 469.980 4.502 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726394 720484975 /nfs/dbraw/zinc/48/49/75/720484975.db2.gz LUUGHQBYEQDOPV-YADHBBJMSA-N 0 0 455.940 4.899 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727535 720485641 /nfs/dbraw/zinc/48/56/41/720485641.db2.gz NIXZLEGETJOLTG-YADHBBJMSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164730205 720491270 /nfs/dbraw/zinc/49/12/70/720491270.db2.gz SUMVRFZODNISLB-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2Cl)C3)c1 ZINC001164730181 720491289 /nfs/dbraw/zinc/49/12/89/720491289.db2.gz SQQPXBWKBVJXEM-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164730846 720491593 /nfs/dbraw/zinc/49/15/93/720491593.db2.gz VNFKNOWFJVGMTO-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4ncnc(Cl)c4c2)C3)c1 ZINC001164723082 720492574 /nfs/dbraw/zinc/49/25/74/720492574.db2.gz BTWKVOALKKCDEL-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cccc4c(Cl)ncnc42)C3)c1 ZINC001164730813 720495417 /nfs/dbraw/zinc/49/54/17/720495417.db2.gz VIYYDXARJGRHQM-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164725294 720495500 /nfs/dbraw/zinc/49/55/00/720495500.db2.gz JIKOCYZBURKCTO-BTYIYWSLSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164722448 720496891 /nfs/dbraw/zinc/49/68/91/720496891.db2.gz AQIALLXUFZJOHE-HTAPYJJXSA-N 0 0 481.946 4.718 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@H]21)N1CCCCC1 ZINC001164831882 720499326 /nfs/dbraw/zinc/49/93/26/720499326.db2.gz HUQHFFAIHDPSRS-DWLFOUALSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832571 720499612 /nfs/dbraw/zinc/49/96/12/720499612.db2.gz JRWBMHJYLOVPPJ-CUWPLCDZSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164831070 720500524 /nfs/dbraw/zinc/50/05/24/720500524.db2.gz FGDWDXOVHWZNAC-GMBSWORKSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21)N1CCCCC1 ZINC001164833290 720502474 /nfs/dbraw/zinc/50/24/74/720502474.db2.gz CSQVHVXYRCWGLN-VCOUNFBDSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164833967 720504085 /nfs/dbraw/zinc/50/40/85/720504085.db2.gz DXUBHBDIHZXGMD-MMOPVJDHSA-N 0 0 479.955 4.784 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]21)N1CCCCC1 ZINC001164833958 720504093 /nfs/dbraw/zinc/50/40/93/720504093.db2.gz DXUBHBDIHZXGMD-BLIXFSHQSA-N 0 0 479.955 4.784 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164732009 720504357 /nfs/dbraw/zinc/50/43/57/720504357.db2.gz SCOBDHGUKOSKAT-XUZZJYLKSA-N 0 0 499.949 4.669 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164728582 720504418 /nfs/dbraw/zinc/50/44/18/720504418.db2.gz GKHSCBXRQMWZNG-QPPBQGQZSA-N 0 0 499.949 4.669 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735983 720537331 /nfs/dbraw/zinc/53/73/31/720537331.db2.gz SZGGYPYBJYPEGD-JLTOFOAXSA-N 0 0 466.941 4.739 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733634 720541065 /nfs/dbraw/zinc/54/10/65/720541065.db2.gz DFEMBIVHODGEDY-JPYJTQIMSA-N 0 0 487.938 4.586 20 0 JJADRN O=C1CCCC2(CCN(C(F)(F)c3cc(-c4ccccc4C(F)(F)F)nnc3Cl)CC2)N1 ZINC001164837499 720734533 /nfs/dbraw/zinc/73/45/33/720734533.db2.gz MSZRMWCORDRGAH-UHFFFAOYSA-N 0 0 474.861 5.000 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2cccnc2Cl)Cc2ccccc23)nc1 ZINC001164836849 720734597 /nfs/dbraw/zinc/73/45/97/720734597.db2.gz GHOVVEPDKUGLJI-UHFFFAOYSA-N 0 0 459.903 4.767 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2ccnc(Cl)c2F)Cc2ccccc23)nc1 ZINC001164837484 720735393 /nfs/dbraw/zinc/73/53/93/720735393.db2.gz LHBRLZDMSSUIBQ-UHFFFAOYSA-N 0 0 477.893 4.907 20 0 JJADRN Cc1nc(C(F)(F)N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)nc(Cl)c1C ZINC001164836116 720735829 /nfs/dbraw/zinc/73/58/29/720735829.db2.gz AJTMBTYYZKJDMN-UHFFFAOYSA-N 0 0 488.945 4.779 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)Cc1ccccc12 ZINC001164844922 720745181 /nfs/dbraw/zinc/74/51/81/720745181.db2.gz VIXOCELMXZUHED-UHFFFAOYSA-N 0 0 490.963 4.751 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164844973 720746702 /nfs/dbraw/zinc/74/67/02/720746702.db2.gz WNISMXVKNFYKFK-UHFFFAOYSA-N 0 0 488.991 4.847 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848483 720766452 /nfs/dbraw/zinc/76/64/52/720766452.db2.gz PWRQMPXEJONPHE-LEWJYISDSA-N 0 0 461.635 4.678 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843726 720766553 /nfs/dbraw/zinc/76/65/53/720766553.db2.gz AKMHRVSGMZKZFI-RTWAWAEBSA-N 0 0 463.651 4.924 20 0 JJADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccccc1 ZINC001164846892 720766649 /nfs/dbraw/zinc/76/66/49/720766649.db2.gz KPTLDGZBMZWWSL-ROUUACIJSA-N 0 0 455.896 4.511 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164850494 720770169 /nfs/dbraw/zinc/77/01/69/720770169.db2.gz XETMSOUJJSJTKF-AHRSYUTCSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847848 720771301 /nfs/dbraw/zinc/77/13/01/720771301.db2.gz NRNKEFIIPVZQHY-WMQCIHAUSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847846 720771738 /nfs/dbraw/zinc/77/17/38/720771738.db2.gz NRNKEFIIPVZQHY-QMMLZNLJSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847838 720772578 /nfs/dbraw/zinc/77/25/78/720772578.db2.gz NOZROALDYXJMKE-QMMLZNLJSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848783 720775172 /nfs/dbraw/zinc/77/51/72/720775172.db2.gz QPSDQAQBESULBA-GIVPXCGWSA-N 0 0 460.912 4.566 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164848947 720776660 /nfs/dbraw/zinc/77/66/60/720776660.db2.gz RIGCCCSSLFTIDT-VJBWXMMDSA-N 0 0 495.693 4.888 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC001164846428 720777089 /nfs/dbraw/zinc/77/70/89/720777089.db2.gz ITDKFAUAXBVDNT-MNEFBYGVSA-N 0 0 455.958 4.740 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845683 720778751 /nfs/dbraw/zinc/77/87/51/720778751.db2.gz GDRLSCBOSHKNMA-LRQRDZAKSA-N 0 0 476.911 4.673 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2=O)c1 ZINC001164854111 720806870 /nfs/dbraw/zinc/80/68/70/720806870.db2.gz SKULOIZFYBMNFV-OAQYLSRUSA-N 0 0 462.953 4.827 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2=O)c1 ZINC001164848470 720806973 /nfs/dbraw/zinc/80/69/73/720806973.db2.gz CNSQGOUVBSJLRT-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c1 ZINC001164849369 720808136 /nfs/dbraw/zinc/80/81/36/720808136.db2.gz GJAOGHSQPYMTLS-OAQYLSRUSA-N 0 0 451.970 4.939 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]2CN1Cc1ccncc1 ZINC001164848082 720810311 /nfs/dbraw/zinc/81/03/11/720810311.db2.gz CBRZWZVFFLRRRD-PBHICJAKSA-N 0 0 463.315 4.576 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164848088 720810319 /nfs/dbraw/zinc/81/03/19/720810319.db2.gz CBRZWZVFFLRRRD-YOEHRIQHSA-N 0 0 463.315 4.576 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]2CN1Cc1ccncc1 ZINC001164848083 720810546 /nfs/dbraw/zinc/81/05/46/720810546.db2.gz CBRZWZVFFLRRRD-RHSMWYFYSA-N 0 0 463.315 4.576 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2CN1Cc1ccncc1 ZINC001164852794 720811516 /nfs/dbraw/zinc/81/15/16/720811516.db2.gz OXGKXACFTPFYLZ-QWHCGFSZSA-N 0 0 498.748 4.625 20 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O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1)c1ccccc1 ZINC001164859394 720898842 /nfs/dbraw/zinc/89/88/42/720898842.db2.gz PTWZRKZEDSOANC-HYBUGGRVSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1)c1ccccc1 ZINC001164859055 720901848 /nfs/dbraw/zinc/90/18/48/720901848.db2.gz ODSYRUJQMBWXGE-PXDATVDWSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]21)c1ccno1 ZINC001164863112 720914456 /nfs/dbraw/zinc/91/44/56/720914456.db2.gz XALBWUQLGMDUIA-LRQRDZAKSA-N 0 0 494.970 4.587 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164757012 720978599 /nfs/dbraw/zinc/97/85/99/720978599.db2.gz LVOIGZXWPXZJJQ-AWEZNQCLSA-N 0 0 468.335 4.741 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2c1C ZINC001164758126 720979400 /nfs/dbraw/zinc/97/94/00/720979400.db2.gz UCLDTNHJXYZCIL-OAQYLSRUSA-N 0 0 480.682 4.554 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164756445 720979797 /nfs/dbraw/zinc/97/97/97/720979797.db2.gz IJDWWQXLZOEJRI-KRWDZBQOSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164756474 720982876 /nfs/dbraw/zinc/98/28/76/720982876.db2.gz IYPTYLGNJXCCFL-QGZVFWFLSA-N 0 0 459.928 4.601 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)nc12 ZINC001164766580 721027352 /nfs/dbraw/zinc/02/73/52/721027352.db2.gz REWMCSZYDKYGII-KSFYIVLOSA-N 0 0 478.902 4.707 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1=O ZINC001164859480 721030048 /nfs/dbraw/zinc/03/00/48/721030048.db2.gz INUWTWALXNQHBO-ILXRZTDVSA-N 0 0 496.813 4.934 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC001164770840 721030495 /nfs/dbraw/zinc/03/04/95/721030495.db2.gz ZGPXWOYEKMBNKN-OXQOHEQNSA-N 0 0 455.958 4.742 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001164770833 721030556 /nfs/dbraw/zinc/03/05/56/721030556.db2.gz ZGPXWOYEKMBNKN-JXFKEZNVSA-N 0 0 455.958 4.742 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767797 721030800 /nfs/dbraw/zinc/03/08/00/721030800.db2.gz TUYMPTYPQBLVQV-VGOFRKELSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]2C1=O ZINC001164858850 721031252 /nfs/dbraw/zinc/03/12/52/721031252.db2.gz HZZCLQVWGWZKAU-HOJAQTOUSA-N 0 0 493.982 4.887 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cnc(Cl)cc1Cl)[C@@H]2COCc1ccccc1 ZINC001164758773 721047225 /nfs/dbraw/zinc/04/72/25/721047225.db2.gz BGZNVAAWUCZTFD-GOSISDBHSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)[C@@H]2COCc1ccccc1 ZINC001164760005 721047234 /nfs/dbraw/zinc/04/72/34/721047234.db2.gz TYMUQYDWVALJBN-QGZVFWFLSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)[C@@H]2COCc1ccccc1 ZINC001164758893 721047601 /nfs/dbraw/zinc/04/76/01/721047601.db2.gz CZOAJCWUWATREQ-GOSISDBHSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)[C@@H]2COCc1ccccc1 ZINC001164765103 721049529 /nfs/dbraw/zinc/04/95/29/721049529.db2.gz CBLLMLOASBZRJL-HXUWFJFHSA-N 0 0 473.955 4.787 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001164772473 721053152 /nfs/dbraw/zinc/05/31/52/721053152.db2.gz PBIVLPKWEZKNED-ROUUACIJSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001164769199 721054678 /nfs/dbraw/zinc/05/46/78/721054678.db2.gz IWROAOKIDCHZBN-CABCVRRESA-N 0 0 461.727 4.670 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001164769215 721054818 /nfs/dbraw/zinc/05/48/18/721054818.db2.gz IWROAOKIDCHZBN-GJZGRUSLSA-N 0 0 461.727 4.670 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)n1 ZINC001164771516 721055483 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PCRNZOYXMGAGGL-JXFKEZNVSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]2C1 ZINC001164873862 721297877 /nfs/dbraw/zinc/29/78/77/721297877.db2.gz CCNVULDNYOCAFP-VQIMIIECSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164877754 721300249 /nfs/dbraw/zinc/30/02/49/721300249.db2.gz JRKDHDQDWZTZQT-HRAATJIYSA-N 0 0 496.023 4.978 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880294 721311922 /nfs/dbraw/zinc/31/19/22/721311922.db2.gz QGPPXALINQRUSB-FSPWUOQZSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880853 721312880 /nfs/dbraw/zinc/31/28/80/721312880.db2.gz SUCQJBLSOXUQPK-FSPWUOQZSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880835 721313176 /nfs/dbraw/zinc/31/31/76/721313176.db2.gz SQAJBGXPOQXEAF-XOKHGSTOSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C[C@@H]32)nn1 ZINC001164775896 721314890 /nfs/dbraw/zinc/31/48/90/721314890.db2.gz KYFWBFLYEFRIEA-VQTJNVASSA-N 0 0 492.357 4.793 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(c2nc(Cl)nc4c2CN(Cc2ccccc2)C4)CC3)cc1 ZINC001164775162 721315441 /nfs/dbraw/zinc/31/54/41/721315441.db2.gz AITZPFMGWYYBJU-UHFFFAOYSA-N 0 0 486.982 4.847 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)n1 ZINC001164878333 721318335 /nfs/dbraw/zinc/31/83/35/721318335.db2.gz NJBNTLWGIMRIKD-NRFANRHFSA-N 0 0 477.678 4.650 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c(Cl)nn2)c1 ZINC001164878851 721319818 /nfs/dbraw/zinc/31/98/18/721319818.db2.gz PYBUISCVDDINCP-NRFANRHFSA-N 0 0 498.961 4.851 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164776241 721323972 /nfs/dbraw/zinc/32/39/72/721323972.db2.gz CTDNIBSLEXJWLV-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)CC2 ZINC001164779599 721324614 /nfs/dbraw/zinc/32/46/14/721324614.db2.gz ZPHZMECBYOSQEK-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2)N1CC=CC1 ZINC001164778447 721328768 /nfs/dbraw/zinc/32/87/68/721328768.db2.gz WULDKUPEQAGQIU-UHFFFAOYSA-N 0 0 464.988 4.729 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)cs1 ZINC001164876295 721330664 /nfs/dbraw/zinc/33/06/64/721330664.db2.gz NTPJBRWYDDBVOL-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)cs1 ZINC001164875482 721332513 /nfs/dbraw/zinc/33/25/13/721332513.db2.gz LGLIXZKWPMEAKK-INIZCTEOSA-N 0 0 479.984 4.670 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776841 721341588 /nfs/dbraw/zinc/34/15/88/721341588.db2.gz DEWTVPUEGWGMIQ-HXUWFJFHSA-N 0 0 459.805 4.766 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164885844 721345002 /nfs/dbraw/zinc/34/50/02/721345002.db2.gz QMTPWXNADODGTF-REWPJTCUSA-N 0 0 479.930 4.598 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164882893 721345060 /nfs/dbraw/zinc/34/50/60/721345060.db2.gz IOKGSTXGEYVBLF-OFNKIYASSA-N 0 0 479.930 4.598 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2C1 ZINC001164886925 721351075 /nfs/dbraw/zinc/35/10/75/721351075.db2.gz TYNLAAFBEZZUEK-XJKSGUPXSA-N 0 0 476.738 4.564 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)N1c1ccsc1 ZINC001164884135 721356568 /nfs/dbraw/zinc/35/65/68/721356568.db2.gz UABIFASYIVWSPT-KBPBESRZSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787750 721357636 /nfs/dbraw/zinc/35/76/36/721357636.db2.gz ZTIYWYWWTPQFGT-VWLOTQADSA-N 0 0 468.001 4.521 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)N1c1ccsc1 ZINC001164883729 721358737 /nfs/dbraw/zinc/35/87/37/721358737.db2.gz RQBHHAFBUXEUNN-LSDHHAIUSA-N 0 0 452.939 4.849 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882571 721359307 /nfs/dbraw/zinc/35/93/07/721359307.db2.gz JSRWBZSOOJQWJS-UXHICEINSA-N 0 0 475.643 4.866 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)N1c1ccsc1 ZINC001164881888 721360608 /nfs/dbraw/zinc/36/06/08/721360608.db2.gz GSPHTWGAORBJRK-ZWKOTPCHSA-N 0 0 464.900 4.927 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)N1c1ccsc1 ZINC001164883704 721360727 /nfs/dbraw/zinc/36/07/27/721360727.db2.gz RLZJTEFAXJSOHQ-ROUUACIJSA-N 0 0 464.900 4.927 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164883646 721361277 /nfs/dbraw/zinc/36/12/77/721361277.db2.gz RCLFBHPIUBEMLV-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164881498 721361711 /nfs/dbraw/zinc/36/17/11/721361711.db2.gz CXXZUXNKZNGHPG-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C3)CC2=O)cn1 ZINC001164884827 721374257 /nfs/dbraw/zinc/37/42/57/721374257.db2.gz FXPGDQMHCHJNCK-JOCHJYFZSA-N 0 0 492.357 4.967 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780195 721382755 /nfs/dbraw/zinc/38/27/55/721382755.db2.gz FORFNGWEBYAEGY-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780410 721383224 /nfs/dbraw/zinc/38/32/24/721383224.db2.gz HDMGDCILBQORJP-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782471 721383783 /nfs/dbraw/zinc/38/37/83/721383783.db2.gz LVVADGVJQSENRY-XXBNENTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164787940 721383912 /nfs/dbraw/zinc/38/39/12/721383912.db2.gz YKUZWEDAZHFYFR-KKSFZXQISA-N 0 0 480.968 4.877 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786174 721384374 /nfs/dbraw/zinc/38/43/74/721384374.db2.gz UDSFDJMHDYHTSB-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001164783856 721385462 /nfs/dbraw/zinc/38/54/62/721385462.db2.gz PSXMYVBDWOFPDR-UWJYYQICSA-N 0 0 469.985 4.989 20 0 JJADRN Cc1nc2c(cc(-c3nc(N4C[C@H]5CN(Cc6nccs6)C[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790974 721410775 /nfs/dbraw/zinc/41/07/75/721410775.db2.gz YRJPKMSFZBOLHE-QZTJIDSGSA-N 0 0 495.603 4.686 20 0 JJADRN c1csc(CN2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164784379 721426562 /nfs/dbraw/zinc/42/65/62/721426562.db2.gz LJAHALMZNSDULQ-OALUTQOASA-N 0 0 494.734 4.581 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164786304 721439041 /nfs/dbraw/zinc/43/90/41/721439041.db2.gz UOQCLOAAJUUSDC-GJZGRUSLSA-N 0 0 465.932 4.506 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164781305 721440918 /nfs/dbraw/zinc/44/09/18/721440918.db2.gz FKQLFBGBJHPZTF-NRFANRHFSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164786310 721441490 /nfs/dbraw/zinc/44/14/90/721441490.db2.gz UQEMVDUWENHECC-OAQYLSRUSA-N 0 0 469.923 4.882 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)c2F)CCO3)cs1 ZINC001164786419 721442769 /nfs/dbraw/zinc/44/27/69/721442769.db2.gz VAUKFUUDJLAJJB-AUUYWEPGSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ncc2Cl)CCO3)cs1 ZINC001164785639 721443564 /nfs/dbraw/zinc/44/35/64/721443564.db2.gz SIJYJSXAHCDRDB-FZKQIMNGSA-N 0 0 479.380 4.686 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1Cl ZINC001164782021 721444062 /nfs/dbraw/zinc/44/40/62/721444062.db2.gz IFBUNNLNWBFNBK-QRWLVFNGSA-N 0 0 473.973 4.646 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1Cl ZINC001164782017 721444152 /nfs/dbraw/zinc/44/41/52/721444152.db2.gz IFBUNNLNWBFNBK-MGPUTAFESA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ccc2C)CCO3)cs1 ZINC001164781499 721444477 /nfs/dbraw/zinc/44/44/77/721444477.db2.gz GBXVYXVDOPEFMM-JXFKEZNVSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C)cc(Cl)n2)CCO3)cs1 ZINC001164782045 721444612 /nfs/dbraw/zinc/44/46/12/721444612.db2.gz IJXSYWQNAXPQTG-UZLBHIALSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164784121 721444636 /nfs/dbraw/zinc/44/46/36/721444636.db2.gz OYZOSPOELIPRQZ-AUUYWEPGSA-N 0 0 493.407 4.772 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)COc2cccc(Cl)n2)CCO3)cs1 ZINC001164786566 721444651 /nfs/dbraw/zinc/44/46/51/721444651.db2.gz VRNZQLXSNPCNJA-OXJNMPFZSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(C4CC4)nnc2Cl)CCO3)cs1 ZINC001164780949 721444976 /nfs/dbraw/zinc/44/49/76/721444976.db2.gz DCKYCFMOPIIYHG-KKSFZXQISA-N 0 0 485.000 4.910 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)cs1 ZINC001164782531 721445120 /nfs/dbraw/zinc/44/51/20/721445120.db2.gz KBDDBVIOQAMIBD-BTYIYWSLSA-N 0 0 485.000 4.521 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)cnc2Cl)c1 ZINC001164886610 721460556 /nfs/dbraw/zinc/46/05/56/721460556.db2.gz HZEJOAQSKALWHP-HKBOAZHASA-N 0 0 461.940 4.518 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)C2=O)cs1 ZINC001164893451 721461550 /nfs/dbraw/zinc/46/15/50/721461550.db2.gz ZOPTXOQHBKWXDU-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2=O)cs1 ZINC001164887983 721462120 /nfs/dbraw/zinc/46/21/20/721462120.db2.gz LIFFUZGWWLVTPB-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1 ZINC001164895209 721464826 /nfs/dbraw/zinc/46/48/26/721464826.db2.gz ZZRSHLVZYSMGFW-PXNSSMCTSA-N 0 0 491.966 4.817 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@H]21 ZINC001164895010 721467948 /nfs/dbraw/zinc/46/79/48/721467948.db2.gz YVFOYSDOLHPEEV-HNAYVOBHSA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164886977 721469356 /nfs/dbraw/zinc/46/93/56/721469356.db2.gz AKEXIKOYZFQLIU-QGZVFWFLSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164887019 721470303 /nfs/dbraw/zinc/47/03/03/721470303.db2.gz BBCTXNAAPNBEDZ-QGZVFWFLSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164890625 721470992 /nfs/dbraw/zinc/47/09/92/721470992.db2.gz JYLSDBIJTNULHV-MRXNPFEDSA-N 0 0 459.928 4.602 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164892310 721475703 /nfs/dbraw/zinc/47/57/03/721475703.db2.gz FMNSYOGMTUPUIQ-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164894978 721475902 /nfs/dbraw/zinc/47/59/02/721475902.db2.gz POJFIHRIMZABJJ-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)Cc2cnn(C)c21 ZINC001164793059 721478078 /nfs/dbraw/zinc/47/80/78/721478078.db2.gz RFLNBXANAMKISH-MRXNPFEDSA-N 0 0 450.892 4.960 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164791807 721485416 /nfs/dbraw/zinc/48/54/16/721485416.db2.gz FKILPHWSIPSNSV-FKIZINRSSA-N 0 0 485.293 4.547 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164892681 721485401 /nfs/dbraw/zinc/48/54/01/721485401.db2.gz BDUZVPZBGATYHP-HYBUGGRVSA-N 0 0 475.967 4.624 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164792261 721489214 /nfs/dbraw/zinc/48/92/14/721489214.db2.gz IJODVHZEZWELQW-QVKFZJNVSA-N 0 0 465.859 4.606 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164900645 721489994 /nfs/dbraw/zinc/48/99/94/721489994.db2.gz RJIBBDDPBCZARA-NSHDSACASA-N 0 0 468.759 4.631 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164900461 721490672 /nfs/dbraw/zinc/49/06/72/721490672.db2.gz PSXCAOBCTPBQNQ-QGZVFWFLSA-N 0 0 491.966 4.871 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)c(Cl)nn2)cc1 ZINC001164901912 721491161 /nfs/dbraw/zinc/49/11/61/721491161.db2.gz XPPHRLMNDIOLHA-GOSISDBHSA-N 0 0 490.982 4.695 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(OC)c3)CC2)c2ccc(C)cc21 ZINC001164897898 721491555 /nfs/dbraw/zinc/49/15/55/721491555.db2.gz FKRGBIBZWARQII-SFHVURJKSA-N 0 0 464.944 4.509 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)c2ccc(C)cc21 ZINC001164900462 721491665 /nfs/dbraw/zinc/49/16/65/721491665.db2.gz PVKDKCFXDVWYFP-INIZCTEOSA-N 0 0 470.351 4.549 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3ccc(OC)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164901482 721492592 /nfs/dbraw/zinc/49/25/92/721492592.db2.gz VLONYUZGVIZLQR-KRWDZBQOSA-N 0 0 464.944 4.509 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164896675 721501184 /nfs/dbraw/zinc/50/11/84/721501184.db2.gz JGGWOKOOLLPQNI-GOSISDBHSA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164899207 721501617 /nfs/dbraw/zinc/50/16/17/721501617.db2.gz XDORTRPIKLBCDO-IBGZPJMESA-N 0 0 451.945 4.581 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(CCOC[C@H]4NC(=O)C(C)C)CC3)c(Cl)nn2)c1 ZINC001164895278 721502687 /nfs/dbraw/zinc/50/26/87/721502687.db2.gz BLSAIIPKMDKIEU-OAQYLSRUSA-N 0 0 492.998 4.798 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164899653 721505594 /nfs/dbraw/zinc/50/55/94/721505594.db2.gz ZTEZJDFBRZZVJC-SFHVURJKSA-N 0 0 460.956 4.587 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795251 721506577 /nfs/dbraw/zinc/50/65/77/721506577.db2.gz IVCDMGKLFMLELO-VGOFRKELSA-N 0 0 457.912 4.817 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC2)N1Cc1ccncc1 ZINC001164901326 721506697 /nfs/dbraw/zinc/50/66/97/721506697.db2.gz WORIIILWGBIGNB-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164799938 721540637 /nfs/dbraw/zinc/54/06/37/721540637.db2.gz CFJPXNLZBPXUGH-WMTXJRDZSA-N 0 0 457.603 4.622 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164805151 721541673 /nfs/dbraw/zinc/54/16/73/721541673.db2.gz KZMIOEDNYQNHMN-JIMJEQGWSA-N 0 0 487.554 4.838 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164799862 721542546 /nfs/dbraw/zinc/54/25/46/721542546.db2.gz BJYIQTSKOLVULN-WMTXJRDZSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164806103 721546048 /nfs/dbraw/zinc/54/60/48/721546048.db2.gz NUTKJHMNXMLVJP-VAMGGRTRSA-N 0 0 494.373 4.745 20 0 JJADRN Cc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805210 721547521 /nfs/dbraw/zinc/54/75/21/721547521.db2.gz LFORTMZELKUYAP-LSQMVHIFSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800297 721564568 /nfs/dbraw/zinc/56/45/68/721564568.db2.gz DQPDYSSOHBBHLC-MIZPHKNDSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@H]2CCCO[C@@H]12 ZINC001164809866 721568879 /nfs/dbraw/zinc/56/88/79/721568879.db2.gz XQAZFIIJVSISSU-BHDDXSALSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807995 721575273 /nfs/dbraw/zinc/57/52/73/721575273.db2.gz UHCFIKHUQCSBSH-GVDBMIGSSA-N 0 0 477.770 4.850 20 0 JJADRN COCCN1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@H]2C1=O ZINC001164902306 721576327 /nfs/dbraw/zinc/57/63/27/721576327.db2.gz JQUNPZWZPSTGGE-CXAGYDPISA-N 0 0 489.872 4.507 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)ncnc2c1 ZINC001164903662 721577578 /nfs/dbraw/zinc/57/75/78/721577578.db2.gz QZYLJYPHGFLBGZ-OAQYLSRUSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164902257 721577955 /nfs/dbraw/zinc/57/79/55/721577955.db2.gz DWYSRDCUDVEJMT-QGZVFWFLSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164902256 721577990 /nfs/dbraw/zinc/57/79/90/721577990.db2.gz DWYSRDCUDVEJMT-KRWDZBQOSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164905772 721578975 /nfs/dbraw/zinc/57/89/75/721578975.db2.gz WTVLGPZUPRHYBM-SFHVURJKSA-N 0 0 472.989 4.636 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799262 721580091 /nfs/dbraw/zinc/58/00/91/721580091.db2.gz AFKSSLZHXKEGAP-SFHLNBCPSA-N 0 0 491.995 4.667 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)c1 ZINC001164906281 721580911 /nfs/dbraw/zinc/58/09/11/721580911.db2.gz ZOVVDLJTYOVWPO-HSZRJFAPSA-N 0 0 489.929 4.752 20 0 JJADRN Cc1ccc(-c2nc3ccccc3c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)s1 ZINC001164810871 721582465 /nfs/dbraw/zinc/58/24/65/721582465.db2.gz WNFJITMEJMAMBJ-SONWIMMPSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806284 721586351 /nfs/dbraw/zinc/58/63/51/721586351.db2.gz MTWYSLJPYBWZKJ-ZLNRFVROSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806969 721588374 /nfs/dbraw/zinc/58/83/74/721588374.db2.gz OFKIAJCDYIZOFM-VIZSFHNOSA-N 0 0 488.394 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808908 721589666 /nfs/dbraw/zinc/58/96/66/721589666.db2.gz ROCIHFSYCCHAMY-UZKOGDIHSA-N 0 0 486.403 4.839 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)n1 ZINC001164807571 721593043 /nfs/dbraw/zinc/59/30/43/721593043.db2.gz OOHNTLVFIAOBNK-KRWDZBQOSA-N 0 0 478.971 4.803 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)Oc2ccccc21 ZINC001164804875 721593346 /nfs/dbraw/zinc/59/33/46/721593346.db2.gz ZHLBEYDHPIFVCI-UZUQRXQVSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164798564 721593388 /nfs/dbraw/zinc/59/33/88/721593388.db2.gz KCWRZZVSTQYDOL-GAJHUEQPSA-N 0 0 461.965 4.683 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164803602 721600145 /nfs/dbraw/zinc/60/01/45/721600145.db2.gz WGFPAOFQVMIQFG-UHFFFAOYSA-N 0 0 451.930 4.547 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164801527 721600651 /nfs/dbraw/zinc/60/06/51/721600651.db2.gz OQRXRXJXYWLFST-XXBNENTESA-N 0 0 477.987 4.802 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc1Cl ZINC001164804221 721600900 /nfs/dbraw/zinc/60/09/00/721600900.db2.gz XEPZGZUNQYIFKF-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164802943 721600903 /nfs/dbraw/zinc/60/09/03/721600903.db2.gz UGELBDNCZZIMPX-SVEHJYQDSA-N 0 0 469.633 4.562 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c1 ZINC001164802090 721601329 /nfs/dbraw/zinc/60/13/29/721601329.db2.gz QSUKEBQGVAIIKT-XMSQKQJNSA-N 0 0 465.928 4.593 20 0 JJADRN FC(F)(N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164797529 721604145 /nfs/dbraw/zinc/60/41/45/721604145.db2.gz BHRMOUYCVZEREB-LJQANCHMSA-N 0 0 463.956 4.952 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164797204 721605546 /nfs/dbraw/zinc/60/55/46/721605546.db2.gz AONBUVIDCSYUGU-LJQANCHMSA-N 0 0 455.292 4.687 20 0 JJADRN Cc1nc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc(Cl)c1C ZINC001164801365 721605786 /nfs/dbraw/zinc/60/57/86/721605786.db2.gz QGJBGDZEQAFURK-FQEVSTJZSA-N 0 0 484.334 4.699 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)c1 ZINC001165010794 721691240 /nfs/dbraw/zinc/69/12/40/721691240.db2.gz XFTHGIUBKNJWRZ-YMTYPPQLSA-N 0 0 482.984 4.800 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)c1 ZINC001165010784 721691301 /nfs/dbraw/zinc/69/13/01/721691301.db2.gz XFTHGIUBKNJWRZ-CFCCAZDESA-N 0 0 482.984 4.800 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)C2 ZINC001165008292 721714453 /nfs/dbraw/zinc/71/44/53/721714453.db2.gz DOQOCMTXJHRSJU-UHFFFAOYSA-N 0 0 468.030 4.854 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncnc3c1c(-c1ccccc1)cn3-c1ccccc1)C2 ZINC001165009137 721714557 /nfs/dbraw/zinc/71/45/57/721714557.db2.gz PZVXMPRLZVUXLM-UHFFFAOYSA-N 0 0 492.631 4.930 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCCn4c(CN(C)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001165011326 721722452 /nfs/dbraw/zinc/72/24/52/721722452.db2.gz OXKHOHIAUFDGDH-UHFFFAOYSA-N 0 0 490.986 4.798 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cccc(Cl)n1)C[C@H]2c1ccccc1 ZINC001164909153 721739232 /nfs/dbraw/zinc/73/92/32/721739232.db2.gz COKVIRYMJZERFY-WMZHIEFXSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cccnc1Cl)C[C@@H]2c1ccccc1 ZINC001164909114 721739322 /nfs/dbraw/zinc/73/93/22/721739322.db2.gz BPAFBMXGYGIRJK-NFBKMPQASA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cnc(Cl)c(F)c1)C[C@H]2c1ccccc1 ZINC001164910826 721740867 /nfs/dbraw/zinc/74/08/67/721740867.db2.gz HVVSFWYJODEPEN-CVDCTZTESA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(c1nc(Cl)ccc1CN1CCCC1)C[C@H]2c1ccccc1 ZINC001164912188 721741362 /nfs/dbraw/zinc/74/13/62/721741362.db2.gz MLYWCIVSTXSIGP-RBJSKKJNSA-N 0 0 488.035 4.753 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(c1nc(Cl)ccc1CN1CCCC1)C[C@@H]2c1ccccc1 ZINC001164912190 721741635 /nfs/dbraw/zinc/74/16/35/721741635.db2.gz MLYWCIVSTXSIGP-UFHPHHKVSA-N 0 0 488.035 4.753 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164913090 721741681 /nfs/dbraw/zinc/74/16/81/721741681.db2.gz SLBUDCLTTNHNSZ-CYFREDJKSA-N 0 0 484.934 4.711 20 0 JJADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001165012817 721748276 /nfs/dbraw/zinc/74/82/76/721748276.db2.gz OESODSGSLBJTTR-UHFFFAOYSA-N 0 0 480.962 4.609 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164910832 721756023 /nfs/dbraw/zinc/75/60/23/721756023.db2.gz SJSBRAPKLIRNSH-UHFFFAOYSA-N 0 0 464.573 4.662 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164911581 721757583 /nfs/dbraw/zinc/75/75/83/721757583.db2.gz WTVAWNPFFLJOJD-UHFFFAOYSA-N 0 0 468.985 4.873 20 0 JJADRN CCOC(=O)c1sc2nc(C)nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2c1C ZINC001164911723 721761234 /nfs/dbraw/zinc/76/12/34/721761234.db2.gz RGHYWQKDVZTBID-UHFFFAOYSA-N 0 0 491.617 4.668 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164910819 721764782 /nfs/dbraw/zinc/76/47/82/721764782.db2.gz LLJAQSYZNVLZCT-UHFFFAOYSA-N 0 0 468.985 4.873 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001165017501 721770505 /nfs/dbraw/zinc/77/05/05/721770505.db2.gz RDHYFWPAGUDPDF-LRDDRELGSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001165015317 721770884 /nfs/dbraw/zinc/77/08/84/721770884.db2.gz KMUGPNIGCPRAMS-IRXDYDNUSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)[C@@H]2C1 ZINC001165018116 721772043 /nfs/dbraw/zinc/77/20/43/721772043.db2.gz SLAIITDMUNCBOU-CZUORRHYSA-N 0 0 464.925 4.737 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)[C@@H]2C1 ZINC001165020588 721772165 /nfs/dbraw/zinc/77/21/65/721772165.db2.gz YROLKOAVISYNAW-QFBILLFUSA-N 0 0 458.896 4.676 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165018201 721772690 /nfs/dbraw/zinc/77/26/90/721772690.db2.gz UIIKPKZWMZPPNY-PZJWPPBQSA-N 0 0 487.629 4.754 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165015126 721773682 /nfs/dbraw/zinc/77/36/82/721773682.db2.gz JAYVKDIMPZNLPT-XLIONFOSSA-N 0 0 472.923 4.984 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165017342 721780169 /nfs/dbraw/zinc/78/01/69/721780169.db2.gz GJHGIYWTOVUSMI-FHWLQOOXSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165017351 721780636 /nfs/dbraw/zinc/78/06/36/721780636.db2.gz GJHGIYWTOVUSMI-QYZOEREBSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165016832 721781017 /nfs/dbraw/zinc/78/10/17/721781017.db2.gz FAGDDSRWBSAJPB-FHWLQOOXSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165020104 721781679 /nfs/dbraw/zinc/78/16/79/721781679.db2.gz LPDZGAZIDIWWRQ-OAGGEKHMSA-N 0 0 481.758 4.626 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165020106 721781917 /nfs/dbraw/zinc/78/19/17/721781917.db2.gz LPDZGAZIDIWWRQ-XHSDSOJGSA-N 0 0 481.758 4.626 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165016517 721783258 /nfs/dbraw/zinc/78/32/58/721783258.db2.gz DGDCPLZLRRBJOH-FUDKSRODSA-N 0 0 480.987 4.588 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001165020172 721785371 /nfs/dbraw/zinc/78/53/71/721785371.db2.gz NCMVCNSOSJLPKE-QHCPKHFHSA-N 0 0 487.913 4.900 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001165018013 721785474 /nfs/dbraw/zinc/78/54/74/721785474.db2.gz HLQPNEACCDJKAM-HSZRJFAPSA-N 0 0 487.913 4.900 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914179 721805238 /nfs/dbraw/zinc/80/52/38/721805238.db2.gz AUVIVBWEVYYXCT-DENIHFKCSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914177 721805607 /nfs/dbraw/zinc/80/56/07/721805607.db2.gz ATTNFLFYFHHMGK-YWZLYKJASA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917372 721807552 /nfs/dbraw/zinc/80/75/52/721807552.db2.gz VTNPWQGRBNNPNJ-UGKGYDQZSA-N 0 0 458.896 4.554 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919169 721808031 /nfs/dbraw/zinc/80/80/31/721808031.db2.gz WDCWRMJRLOIOGS-WMZHIEFXSA-N 0 0 472.923 4.862 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917502 721810085 /nfs/dbraw/zinc/81/00/85/721810085.db2.gz MKNAOTZLVHSFEW-NORZTCDRSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917107 721811794 /nfs/dbraw/zinc/81/17/94/721811794.db2.gz KQQMYNQSPXNRFN-LSBZLQRGSA-N 0 0 455.958 4.814 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164919055 721816640 /nfs/dbraw/zinc/81/66/40/721816640.db2.gz ZDSNXKRRNOFYGU-UHFFFAOYSA-N 0 0 458.997 4.896 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC001164917875 721819304 /nfs/dbraw/zinc/81/93/04/721819304.db2.gz KCRZVLMNCYJWCJ-UHFFFAOYSA-N 0 0 464.664 4.983 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)Nc3c4cccc3F)c(Cl)nn2)cc1 ZINC001165022529 721833389 /nfs/dbraw/zinc/83/33/89/721833389.db2.gz OVTBDCOVFNEGPI-UHFFFAOYSA-N 0 0 488.897 4.980 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164922748 721836090 /nfs/dbraw/zinc/83/60/90/721836090.db2.gz IJHLWZSTFDUPLJ-YCRPNKLZSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164922204 721836184 /nfs/dbraw/zinc/83/61/84/721836184.db2.gz GAWPWTOBWXRUMI-YCRPNKLZSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164926168 721836523 /nfs/dbraw/zinc/83/65/23/721836523.db2.gz QLPMKJSXHVBQIA-KZULUSFZSA-N 0 0 478.758 4.641 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164928158 721837547 /nfs/dbraw/zinc/83/75/47/721837547.db2.gz WXRMKZYLFAYFDK-VGOFRKELSA-N 0 0 475.927 4.594 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164927261 721838398 /nfs/dbraw/zinc/83/83/98/721838398.db2.gz TWFRRWQKJOAPLG-VFNWGFHPSA-N 0 0 481.330 4.546 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164919650 721841048 /nfs/dbraw/zinc/84/10/48/721841048.db2.gz BXAQZZRAJHODFN-CYFREDJKSA-N 0 0 486.950 4.715 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164923220 721841076 /nfs/dbraw/zinc/84/10/76/721841076.db2.gz UDPBWQLGBTZMMC-UZUQRXQVSA-N 0 0 490.913 4.546 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164919652 721841078 /nfs/dbraw/zinc/84/10/78/721841078.db2.gz BXAQZZRAJHODFN-NTKDMRAZSA-N 0 0 486.950 4.715 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)c(Cl)nn1 ZINC001164919631 721841094 /nfs/dbraw/zinc/84/10/94/721841094.db2.gz BPWFYJKPRNSIPB-WAIKUNEKSA-N 0 0 490.913 4.546 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC1 ZINC001165029807 721845238 /nfs/dbraw/zinc/84/52/38/721845238.db2.gz DWUNEKXLAROCQG-UHFFFAOYSA-N 0 0 465.972 4.973 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]21)NC1CCC1 ZINC001164934502 721895937 /nfs/dbraw/zinc/89/59/37/721895937.db2.gz QLHLYBJGBSZLBP-RISOHXOYSA-N 0 0 484.374 4.987 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]21)NC1CCC1 ZINC001164934942 721897523 /nfs/dbraw/zinc/89/75/23/721897523.db2.gz UQMUKPWMRDIVNL-QRFQSNJMSA-N 0 0 493.957 4.986 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164927518 721898301 /nfs/dbraw/zinc/89/83/01/721898301.db2.gz IYXFNJNGFZQCHS-NRFANRHFSA-N 0 0 475.952 4.532 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928460 721898334 /nfs/dbraw/zinc/89/83/34/721898334.db2.gz OUJFPDPREOYKQI-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930054 721898937 /nfs/dbraw/zinc/89/89/37/721898937.db2.gz YIDGHVHLABRZAB-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)c2ccccc21)N1CCCC1 ZINC001164928369 721899397 /nfs/dbraw/zinc/89/93/97/721899397.db2.gz NKQCJVNCEIQQMA-UHFFFAOYSA-N 0 0 479.358 4.886 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c(Cl)n1 ZINC001164926417 721899441 /nfs/dbraw/zinc/89/94/41/721899441.db2.gz AISLIMODJCITKR-UHFFFAOYSA-N 0 0 473.951 4.846 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)CC3)n1 ZINC001164933206 721904727 /nfs/dbraw/zinc/90/47/27/721904727.db2.gz IUSLEKSVFUWXNG-UHFFFAOYSA-N 0 0 496.389 4.691 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)nc1Cl ZINC001165044629 721939883 /nfs/dbraw/zinc/93/98/83/721939883.db2.gz PFOBTSWTKSJGNK-UHFFFAOYSA-N 0 0 467.303 4.595 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C[C@@H]21 ZINC001164942717 721956182 /nfs/dbraw/zinc/95/61/82/721956182.db2.gz FOJRHJXCZHMGHC-IZZNHLLZSA-N 0 0 469.589 4.608 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164943272 721959915 /nfs/dbraw/zinc/95/99/15/721959915.db2.gz HJALMUSPIDDJPD-PKTZIBPZSA-N 0 0 487.629 4.930 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]12 ZINC001164949802 721965499 /nfs/dbraw/zinc/96/54/99/721965499.db2.gz YTDFDSGIWRFVEV-GGAORHGYSA-N 0 0 456.924 4.597 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c1 ZINC001164944863 721967084 /nfs/dbraw/zinc/96/70/84/721967084.db2.gz KCLGOKIGMYOXKF-CTNGQTDRSA-N 0 0 451.970 4.771 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@@H]12 ZINC001164944785 721967259 /nfs/dbraw/zinc/96/72/59/721967259.db2.gz JLGUJCVKQXUXSV-GGAORHGYSA-N 0 0 472.923 4.704 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)C[C@@H]12 ZINC001164942802 721967379 /nfs/dbraw/zinc/96/73/79/721967379.db2.gz CXZVEFOXURWOBH-LXFBAYGMSA-N 0 0 489.689 4.673 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]12 ZINC001164948291 721967625 /nfs/dbraw/zinc/96/76/25/721967625.db2.gz SUCZKDCUQKZTOY-RNXOBYDBSA-N 0 0 480.971 4.693 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@]4(c5ccccc5)CCN(C(C)=O)[C@H]4C3)nc(Cl)c2c1 ZINC001164948935 721967708 /nfs/dbraw/zinc/96/77/08/721967708.db2.gz VVLZSZQMJOYCNO-URXFXBBRSA-N 0 0 486.950 4.606 20 0 JJADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC2)s1 ZINC001165052701 721999452 /nfs/dbraw/zinc/99/94/52/721999452.db2.gz WSWZXUXXQSCEEN-UHFFFAOYSA-N 0 0 468.666 4.784 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164950673 722006145 /nfs/dbraw/zinc/00/61/45/722006145.db2.gz FBWICKYPYBUTRD-UHFFFAOYSA-N 0 0 454.912 4.886 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164953205 722006219 /nfs/dbraw/zinc/00/62/19/722006219.db2.gz QDSCGNFGUZIERP-UHFFFAOYSA-N 0 0 498.034 4.771 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001164951049 722007046 /nfs/dbraw/zinc/00/70/46/722007046.db2.gz GIHUFEQRTLKEOF-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)c1 ZINC001164950630 722007470 /nfs/dbraw/zinc/00/74/70/722007470.db2.gz DRCRLZUJUFGDKX-UHFFFAOYSA-N 0 0 483.009 4.582 20 0 JJADRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C2)C1 ZINC001164954664 722011715 /nfs/dbraw/zinc/01/17/15/722011715.db2.gz NWUMINQGUBCJGQ-XMSQKQJNSA-N 0 0 499.389 4.999 20 0 JJADRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1 ZINC001164953725 722011740 /nfs/dbraw/zinc/01/17/40/722011740.db2.gz GGRHDWBJBOSDHB-XMSQKQJNSA-N 0 0 470.992 4.727 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)n1 ZINC001164964042 722025857 /nfs/dbraw/zinc/02/58/57/722025857.db2.gz VBMJMQGCVYVCDV-PXNSSMCTSA-N 0 0 473.351 4.624 20 0 JJADRN COc1cc(C(F)(F)N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)cc(Cl)n1 ZINC001164958861 722025930 /nfs/dbraw/zinc/02/59/30/722025930.db2.gz GJTQKDCNECLBDV-UGKGYDQZSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)C3)n1 ZINC001164964765 722026856 /nfs/dbraw/zinc/02/68/56/722026856.db2.gz YGDSNBYKQMNPCZ-SIKLNZKXSA-N 0 0 466.960 4.587 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ccc2C)C3)n1 ZINC001164957952 722026892 /nfs/dbraw/zinc/02/68/92/722026892.db2.gz CHUUGNJGVOFRPC-SIKLNZKXSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2nc(Cl)ccc2CN2CCCC2)C3)n1 ZINC001164964995 722026909 /nfs/dbraw/zinc/02/69/09/722026909.db2.gz YMMMMBMRYFOGJI-OZXSUGGESA-N 0 0 471.045 4.627 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)n1 ZINC001164958074 722027143 /nfs/dbraw/zinc/02/71/43/722027143.db2.gz FKVJRZKFYNGNAJ-OFNKIYASSA-N 0 0 489.954 4.519 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164958994 722028160 /nfs/dbraw/zinc/02/81/60/722028160.db2.gz HJSLYZFSCRVGHZ-BRWVUGGUSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164962635 722028945 /nfs/dbraw/zinc/02/89/45/722028945.db2.gz YJFQNACMNVAIDS-ZACQAIPSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164958679 722029059 /nfs/dbraw/zinc/02/90/59/722029059.db2.gz PIRLOLFJGAAVLU-ZMSDIMECSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164962480 722029148 /nfs/dbraw/zinc/02/91/48/722029148.db2.gz XRJVNNIURIZTSG-HLIPFELVSA-N 0 0 476.886 4.691 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c2c1C ZINC001164958344 722029483 /nfs/dbraw/zinc/02/94/83/722029483.db2.gz ONOCDIHZWYNKRT-QTEQDKRBSA-N 0 0 497.640 4.643 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164956734 722029797 /nfs/dbraw/zinc/02/97/97/722029797.db2.gz IPBCTNDZOOCPGR-ZCNNSNEGSA-N 0 0 476.886 4.691 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164956317 722034990 /nfs/dbraw/zinc/03/49/90/722034990.db2.gz DVAVORQOWOYOOC-RDGATRHJSA-N 0 0 498.961 4.787 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164961987 722035409 /nfs/dbraw/zinc/03/54/09/722035409.db2.gz WQUXPDFXVCPCPG-YKSBVNFPSA-N 0 0 483.950 4.578 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]3O2)n1 ZINC001164957266 722043356 /nfs/dbraw/zinc/04/33/56/722043356.db2.gz ANLFMWFQFQGQHW-VDZJLULYSA-N 0 0 452.933 4.855 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c2ccccc21 ZINC001164956925 722047639 /nfs/dbraw/zinc/04/76/39/722047639.db2.gz DZAFSIOEZVLYMH-FOIQADDNSA-N 0 0 497.933 4.778 20 0 JJADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]21 ZINC001164956955 722048665 /nfs/dbraw/zinc/04/86/65/722048665.db2.gz FNXKOMHCXYEGKO-QAPCUYQASA-N 0 0 459.880 4.771 20 0 JJADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164961384 722049547 /nfs/dbraw/zinc/04/95/47/722049547.db2.gz ZDZRKUHEQMCLLS-UHFFFAOYSA-N 0 0 476.318 4.817 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164957388 722049761 /nfs/dbraw/zinc/04/97/61/722049761.db2.gz JCLYILYMTIFILI-UHFFFAOYSA-N 0 0 492.921 4.712 20 0 JJADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956910 722049892 /nfs/dbraw/zinc/04/98/92/722049892.db2.gz DVNKFVUPGFKTQW-UHFFFAOYSA-N 0 0 458.875 4.908 20 0 JJADRN FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164957058 722050297 /nfs/dbraw/zinc/05/02/97/722050297.db2.gz HIFRXNFLKTWNSF-UHFFFAOYSA-N 0 0 457.868 4.622 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164967966 722078367 /nfs/dbraw/zinc/07/83/67/722078367.db2.gz NLXUDSGPNHQPRC-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164968210 722078425 /nfs/dbraw/zinc/07/84/25/722078425.db2.gz WCFRWYKPQSGQSF-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164968033 722078731 /nfs/dbraw/zinc/07/87/31/722078731.db2.gz OUMWIJISMVVUDD-UHFFFAOYSA-N 0 0 486.925 4.940 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969359 722080390 /nfs/dbraw/zinc/08/03/90/722080390.db2.gz JOXVNPXNJOCEAX-HZUJVAHNSA-N 0 0 494.373 4.799 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@@H]21 ZINC001164970817 722081269 /nfs/dbraw/zinc/08/12/69/722081269.db2.gz SFMYPJBVMQSKJI-SSPYTLHUSA-N 0 0 499.993 4.968 20 0 JJADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CCO2 ZINC001164970526 722084321 /nfs/dbraw/zinc/08/43/21/722084321.db2.gz YRKRSJZMUNLOGS-NRFANRHFSA-N 0 0 470.347 4.818 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC001164971512 722084721 /nfs/dbraw/zinc/08/47/21/722084721.db2.gz JCHVEKMICISOHA-STQMWFEESA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@H]2C1 ZINC001164976656 722085085 /nfs/dbraw/zinc/08/50/85/722085085.db2.gz VZSRSBWDHTUPJZ-CLLJXQQHSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]2C1 ZINC001164970035 722085778 /nfs/dbraw/zinc/08/57/78/722085778.db2.gz BWRRYRMMNZOZSU-KBPBESRZSA-N 0 0 452.958 4.535 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164971531 722086120 /nfs/dbraw/zinc/08/61/20/722086120.db2.gz JMGCWPLAGBEAEE-ROUUACIJSA-N 0 0 460.956 4.781 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164980228 722091860 /nfs/dbraw/zinc/09/18/60/722091860.db2.gz LSYVJGIRLKUHIF-NTKDMRAZSA-N 0 0 472.992 4.837 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)c1 ZINC001164980087 722097760 /nfs/dbraw/zinc/09/77/60/722097760.db2.gz JGNZSLDVZCFQBA-JFIYKMOQSA-N 0 0 452.958 4.548 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@@H]21 ZINC001164984702 722097772 /nfs/dbraw/zinc/09/77/72/722097772.db2.gz UBKNVRZNSIJXKN-BBTUJRGHSA-N 0 0 456.924 4.979 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)c1 ZINC001164980099 722097790 /nfs/dbraw/zinc/09/77/90/722097790.db2.gz JGNZSLDVZCFQBA-SOLBZPMBSA-N 0 0 452.958 4.548 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]21 ZINC001164985815 722097914 /nfs/dbraw/zinc/09/79/14/722097914.db2.gz WZAFUTWOKQLEDP-CNNODRBYSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]21 ZINC001164982085 722098110 /nfs/dbraw/zinc/09/81/10/722098110.db2.gz MTKRIEXNGGTDQZ-GRDNDAEWSA-N 0 0 474.861 4.845 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]21 ZINC001164979052 722098127 /nfs/dbraw/zinc/09/81/27/722098127.db2.gz GXWRZZWCDYFUEC-SXWKCWPCSA-N 0 0 483.950 4.888 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)cc1 ZINC001164982512 722162473 /nfs/dbraw/zinc/16/24/73/722162473.db2.gz WDKNZFJWGTUORN-RUZDIDTESA-N 0 0 497.929 4.858 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164980981 722165383 /nfs/dbraw/zinc/16/53/83/722165383.db2.gz ZLRCQUFVCKLMGV-LAUBAEHRSA-N 0 0 452.933 4.558 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164978039 722170409 /nfs/dbraw/zinc/17/04/09/722170409.db2.gz PFCXWKFDRXLTJU-DXIQSLLYSA-N 0 0 460.956 4.976 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164977988 722170685 /nfs/dbraw/zinc/17/06/85/722170685.db2.gz OWSWVHUTSSNBEX-NJDAHSKKSA-N 0 0 489.950 4.943 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164984908 722174349 /nfs/dbraw/zinc/17/43/49/722174349.db2.gz GTVXDMOVMXTREE-RBUKOAKNSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)CC[C@@H]32)cs1 ZINC001164985741 722175486 /nfs/dbraw/zinc/17/54/86/722175486.db2.gz IKJUBFJYOSCOSE-IRXDYDNUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)CC[C@@H]32)cs1 ZINC001164989576 722175566 /nfs/dbraw/zinc/17/55/66/722175566.db2.gz UFXBUUHSUUSNOC-JKSUJKDBSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[C@H]32)cs1 ZINC001164988974 722178395 /nfs/dbraw/zinc/17/83/95/722178395.db2.gz STCNLKAOHAKYJN-HZPDHXFCSA-N 0 0 486.013 4.524 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccccc5)nc5ccccc54)CC[C@@H]32)cs1 ZINC001164994570 722180080 /nfs/dbraw/zinc/18/00/80/722180080.db2.gz ZHZXHMDZBAGVBK-LOSJGSFVSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164989969 722181588 /nfs/dbraw/zinc/18/15/88/722181588.db2.gz MXBZFITZJHSMSI-JKSUJKDBSA-N 0 0 463.381 4.568 20 0 JJADRN CCCCOc1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(Cl)c1 ZINC001164992894 722184628 /nfs/dbraw/zinc/18/46/28/722184628.db2.gz XRCADDXCWITQIP-SFTDATJTSA-N 0 0 451.036 4.549 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]32)cs1 ZINC001164989615 722184936 /nfs/dbraw/zinc/18/49/36/722184936.db2.gz PHAMVGHHNFXSHM-SXOMAYOGSA-N 0 0 485.657 4.855 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@@H]32)cs1 ZINC001164989613 722184978 /nfs/dbraw/zinc/18/49/78/722184978.db2.gz PHAMVGHHNFXSHM-SVBPBHIXSA-N 0 0 485.657 4.855 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[C@@H]32)cs1 ZINC001164985601 722185149 /nfs/dbraw/zinc/18/51/49/722185149.db2.gz BJQYIPCCBJTXBF-AZUAARDMSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)CC[C@@H]32)cs1 ZINC001164986664 722185257 /nfs/dbraw/zinc/18/52/57/722185257.db2.gz GBEDTACDVHUSCM-GOTSBHOMSA-N 0 0 498.052 4.622 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc6c(c54)CCCCC6)CC[C@H]32)cs1 ZINC001164987289 722185297 /nfs/dbraw/zinc/18/52/97/722185297.db2.gz JGWSMQGNYUJCLP-NHCUHLMSSA-N 0 0 483.707 4.903 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)CC[C@@H]32)cs1 ZINC001164988174 722185665 /nfs/dbraw/zinc/18/56/65/722185665.db2.gz MKXDIDCGKCPLBQ-VQTJNVASSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[C@@H]32)cs1 ZINC001164986102 722185736 /nfs/dbraw/zinc/18/57/36/722185736.db2.gz DCUYQBZTVDFZCU-UNMCSNQZSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[C@H]32)cs1 ZINC001164986098 722185764 /nfs/dbraw/zinc/18/57/64/722185764.db2.gz DCUYQBZTVDFZCU-IRLDBZIGSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164989010 722185935 /nfs/dbraw/zinc/18/59/35/722185935.db2.gz NSMZUPXKYBMGFG-RBUKOAKNSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)CC[C@H]32)cs1 ZINC001164985265 722186196 /nfs/dbraw/zinc/18/61/96/722186196.db2.gz AZMHMGTWMYWLCF-HZPDHXFCSA-N 0 0 496.933 4.933 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cc5ccc(Cl)cc5)c(C)n4)CC[C@H]32)cs1 ZINC001164987615 722186219 /nfs/dbraw/zinc/18/62/19/722186219.db2.gz KPYYITKHJLEYFS-RPBOFIJWSA-N 0 0 498.096 4.972 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)ccc5c(Cl)ncnc54)CC[C@@H]32)cs1 ZINC001164991331 722186694 /nfs/dbraw/zinc/18/66/94/722186694.db2.gz SZSLYAPKQJWSJX-ROUUACIJSA-N 0 0 464.422 4.571 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164993012 722187595 /nfs/dbraw/zinc/18/75/95/722187595.db2.gz XIKAAIADTRNVPC-LJQANCHMSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164991298 722187621 /nfs/dbraw/zinc/18/76/21/722187621.db2.gz OPBBDCVUKGWYSJ-OAHLLOKOSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164990256 722187627 /nfs/dbraw/zinc/18/76/27/722187627.db2.gz LARYDCGUCAHMJR-INIZCTEOSA-N 0 0 485.000 4.505 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164993029 722187716 /nfs/dbraw/zinc/18/77/16/722187716.db2.gz XSFCWHPSHUKPSM-IBGZPJMESA-N 0 0 493.982 4.928 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164990652 722187828 /nfs/dbraw/zinc/18/78/28/722187828.db2.gz MLFXZISHXDEQTD-SFHVURJKSA-N 0 0 496.961 4.582 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN([C@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164991905 722189018 /nfs/dbraw/zinc/18/90/18/722189018.db2.gz SQOJCELJINKSAH-QHCPKHFHSA-N 0 0 455.917 4.963 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001164990006 722189021 /nfs/dbraw/zinc/18/90/21/722189021.db2.gz HDTWHKKTXUXWNJ-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001164990026 722189255 /nfs/dbraw/zinc/18/92/55/722189255.db2.gz IKXNXUKBOUHAJS-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2nc(Cl)nc3[nH]cnc32)CC1 ZINC001164991248 722189327 /nfs/dbraw/zinc/18/93/27/722189327.db2.gz OOESNCIKZJLAQB-UHFFFAOYSA-N 0 0 498.921 4.603 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)n1 ZINC001164990912 722189517 /nfs/dbraw/zinc/18/95/17/722189517.db2.gz OMDKWZWCAANPBS-UHFFFAOYSA-N 0 0 452.958 4.610 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164994440 722206662 /nfs/dbraw/zinc/20/66/62/722206662.db2.gz HBVSCFHMDALFSR-QFIPXVFZSA-N 0 0 467.919 4.841 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164997446 722215133 /nfs/dbraw/zinc/21/51/33/722215133.db2.gz QDDMOCWYEIPONZ-JQAFLVLXSA-N 0 0 493.769 4.643 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@H]43)cnc2Cl)c1 ZINC001164997799 722217335 /nfs/dbraw/zinc/21/73/35/722217335.db2.gz RXAZQNVBTPCGEP-IOMROCGXSA-N 0 0 463.956 4.764 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)n1 ZINC001165000026 722220577 /nfs/dbraw/zinc/22/05/77/722220577.db2.gz VJYUIGOMPWYXAC-UHFFFAOYSA-N 0 0 491.007 4.858 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)c2ccccc21 ZINC001164998928 722220648 /nfs/dbraw/zinc/22/06/48/722220648.db2.gz NDNLBRKICVTYLF-UHFFFAOYSA-N 0 0 479.358 4.790 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccccc21 ZINC001164998618 722220685 /nfs/dbraw/zinc/22/06/85/722220685.db2.gz KJNYVGHPFASIGH-UHFFFAOYSA-N 0 0 461.915 4.880 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164999526 722221280 /nfs/dbraw/zinc/22/12/80/722221280.db2.gz SVLWXTTWIGMTFO-OAQYLSRUSA-N 0 0 489.950 4.647 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164999094 722225218 /nfs/dbraw/zinc/22/52/18/722225218.db2.gz IBVOWXXMLKIFSB-FGZHOGPDSA-N 0 0 494.945 4.673 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001165001349 722225711 /nfs/dbraw/zinc/22/57/11/722225711.db2.gz ZQFDHLFUKKXIED-MOPGFXCFSA-N 0 0 482.984 4.595 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)[C@H]1Cc1cnn(C)c1 ZINC001165000042 722225830 /nfs/dbraw/zinc/22/58/30/722225830.db2.gz PKRXRSOJFKXJAO-GOTSBHOMSA-N 0 0 490.982 4.842 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001165000479 722226508 /nfs/dbraw/zinc/22/65/08/722226508.db2.gz SKSQWCBLWAFXBF-MRXNPFEDSA-N 0 0 483.350 4.696 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CCO2 ZINC001165001164 722248879 /nfs/dbraw/zinc/24/88/79/722248879.db2.gz NDMLNTVXMVANPG-JOCHJYFZSA-N 0 0 461.896 4.538 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)CCO2 ZINC001165000311 722249564 /nfs/dbraw/zinc/24/95/64/722249564.db2.gz GUNHBOYQUWKSKY-JOCHJYFZSA-N 0 0 461.896 4.538 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc3ccccc3nc1Cl)CCO2 ZINC001165002069 722249688 /nfs/dbraw/zinc/24/96/88/722249688.db2.gz VJMQBXHFUITJRC-JOCHJYFZSA-N 0 0 461.896 4.538 20 0 JJADRN c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CN(Cc2ccccc2)CC3)cc1 ZINC001165007457 722271496 /nfs/dbraw/zinc/27/14/96/722271496.db2.gz WOTFPODSTOMLSM-IZLXSDGUSA-N 0 0 454.618 4.652 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)cs1 ZINC001165004875 722272440 /nfs/dbraw/zinc/27/24/40/722272440.db2.gz DFSMNGSNLADMPQ-QGZVFWFLSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001165009047 722273337 /nfs/dbraw/zinc/27/33/37/722273337.db2.gz NIZQIPFOEZCZEH-OAHLLOKOSA-N 0 0 480.364 4.923 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007138 722273421 /nfs/dbraw/zinc/27/34/21/722273421.db2.gz BCBHXKNKIXUROU-VOWSPCBNSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007137 722273573 /nfs/dbraw/zinc/27/35/73/722273573.db2.gz BCBHXKNKIXUROU-DUXSXAKTSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007163 722273976 /nfs/dbraw/zinc/27/39/76/722273976.db2.gz BUDGHDGVHGULAK-ZFUCPZCZSA-N 0 0 487.938 4.626 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1Cl ZINC001165009360 722274452 /nfs/dbraw/zinc/27/44/52/722274452.db2.gz PJSNHAFQKRVTKD-CMPZQBNXSA-N 0 0 482.984 4.800 20 0 JJADRN CC/C(C)=C(\C)C(=O)Nc1cc(I)cc(I)c1 ZINC001436555925 1065359750 /nfs/dbraw/zinc/35/97/50/1065359750.db2.gz JCVCKESFPOCFSZ-CMDGGOBGSA-N 0 0 455.077 4.581 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3nccs3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001359712060 1064260400 /nfs/dbraw/zinc/26/04/00/1064260400.db2.gz DNPWZMDWBGEPIO-UHFFFAOYSA-N 0 0 466.533 4.522 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCc1cccc(F)c1 ZINC001359711915 1064260432 /nfs/dbraw/zinc/26/04/32/1064260432.db2.gz XSCBXIWLWIVWFH-UHFFFAOYSA-N 0 0 455.622 4.792 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC(C)(C)c1cccs1 ZINC001359711853 1064260442 /nfs/dbraw/zinc/26/04/42/1064260442.db2.gz VKLOERSBSJYAQJ-UHFFFAOYSA-N 0 0 451.640 4.793 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1Cc1cc(Br)cs1 ZINC001359712598 1064261453 /nfs/dbraw/zinc/26/14/53/1064261453.db2.gz ZUJONOZVLLUWIV-UHFFFAOYSA-N 0 0 479.423 4.525 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359713467 1064261769 /nfs/dbraw/zinc/26/17/69/1064261769.db2.gz NYEPWSHLJOOYBC-FGZHOGPDSA-N 0 0 467.658 4.594 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359713574 1064261840 /nfs/dbraw/zinc/26/18/40/1064261840.db2.gz QUVAYXHIIOKCJM-GOSISDBHSA-N 0 0 463.548 4.719 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359713494 1064261899 /nfs/dbraw/zinc/26/18/99/1064261899.db2.gz OMXDPFOMIVKFFU-QGZVFWFLSA-N 0 0 451.587 4.641 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCCC(C)(C)C ZINC001545852324 1064262288 /nfs/dbraw/zinc/26/22/88/1064262288.db2.gz RGSSRNJRPXLBDL-SIKLNZKXSA-N 0 0 455.647 4.989 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC1CC(C)(C)C1 ZINC001545852143 1064262296 /nfs/dbraw/zinc/26/22/96/1064262296.db2.gz OHLFSAUCTWORCX-XMSQKQJNSA-N 0 0 453.631 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCc1ccccc1C ZINC001545851687 1064262372 /nfs/dbraw/zinc/26/23/72/1064262372.db2.gz HVIFONDSEZFRCS-XXBNENTESA-N 0 0 481.666 4.776 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359713633 1064262311 /nfs/dbraw/zinc/26/23/11/1064262311.db2.gz SVECBNDKGKECKK-CVEARBPZSA-N 0 0 485.501 4.936 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359714373 1064262748 /nfs/dbraw/zinc/26/27/48/1064262748.db2.gz UJMLCVFNHCSPRQ-LADGPHEKSA-N 0 0 473.706 4.862 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[C@@H]1CCc2ccccc21 ZINC001359714909 1064262906 /nfs/dbraw/zinc/26/29/06/1064262906.db2.gz KXIDHFBNRSTOQW-FPOVZHCZSA-N 0 0 453.631 4.967 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1c(F)cccc1OC(F)F ZINC001359715045 1064263272 /nfs/dbraw/zinc/26/32/72/1064263272.db2.gz OLRHQINMWMHXSL-OAHLLOKOSA-N 0 0 483.535 4.636 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001359715345 1064263372 /nfs/dbraw/zinc/26/33/72/1064263372.db2.gz YBEMIVDLSSYDRR-VQTJNVASSA-N 0 0 486.636 4.513 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001359715985 1064264702 /nfs/dbraw/zinc/26/47/02/1064264702.db2.gz RSOYHULIXPSCQZ-QGZVFWFLSA-N 0 0 494.587 4.731 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001545856596 1064264893 /nfs/dbraw/zinc/26/48/93/1064264893.db2.gz DJJVSAKOPAOYBJ-MRXNPFEDSA-N 0 0 450.587 4.612 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359716320 1064265215 /nfs/dbraw/zinc/26/52/15/1064265215.db2.gz CYXYPWGMERANOL-WMZOPIPTSA-N 0 0 454.516 4.631 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCc1ccc(Br)s1 ZINC001359716482 1064265266 /nfs/dbraw/zinc/26/52/66/1064265266.db2.gz IUEAATSGVGZUIT-UHFFFAOYSA-N 0 0 476.444 4.500 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001359717129 1064265584 /nfs/dbraw/zinc/26/55/84/1064265584.db2.gz JGLDYJXSCWYEGV-SFHVURJKSA-N 0 0 488.467 4.955 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1C[C@@H](OC)c1ccccc1 ZINC001545857340 1064265934 /nfs/dbraw/zinc/26/59/34/1064265934.db2.gz USSAEBKBVWSHAN-FCHUYYIVSA-N 0 0 453.631 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCCOc1ccc(F)cc1 ZINC001545857257 1064265968 /nfs/dbraw/zinc/26/59/68/1064265968.db2.gz SNJSELVEVKDNKI-UHFFFAOYSA-N 0 0 497.615 4.987 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H]1CC[C@H](C)C1 ZINC001545857402 1064266006 /nfs/dbraw/zinc/26/60/06/1064266006.db2.gz VUKJVRUBJCCPDW-HOTGVXAUSA-N 0 0 474.447 4.915 20 0 JJADRN CC(C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCO[C@H](C)c1ccccc1 ZINC001359717758 1064266235 /nfs/dbraw/zinc/26/62/35/1064266235.db2.gz GCKNWKPCFSMYGD-HXUWFJFHSA-N 0 0 470.687 4.573 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC001545857933 1064266450 /nfs/dbraw/zinc/26/64/50/1064266450.db2.gz GLJDMYAKHPWQQA-LLVKDONJSA-N 0 0 459.490 4.712 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001359719233 1064266832 /nfs/dbraw/zinc/26/68/32/1064266832.db2.gz GOONEUZDOSBGKT-TZIWHRDSSA-N 0 0 474.719 4.539 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)n1CCSC(F)(F)F ZINC001359720040 1064267353 /nfs/dbraw/zinc/26/73/53/1064267353.db2.gz GEQBLGLHDXWUKW-UHFFFAOYSA-N 0 0 480.560 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1Cc1nnc(C(C)(C)C)s1 ZINC001545859612 1064268049 /nfs/dbraw/zinc/26/80/49/1064268049.db2.gz PZKUIQOMFWJPMP-SJLPKXTDSA-N 0 0 473.691 4.553 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H]1CCc2ccccc21 ZINC001545859641 1064268266 /nfs/dbraw/zinc/26/82/66/1064268266.db2.gz QLJQISLUANGCKJ-QGZVFWFLSA-N 0 0 461.532 4.625 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CC1CCCC1 ZINC001545861152 1064269200 /nfs/dbraw/zinc/26/92/00/1064269200.db2.gz SGVZTKSQEBSOEP-UHFFFAOYSA-N 0 0 457.644 4.548 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359723191 1064270293 /nfs/dbraw/zinc/27/02/93/1064270293.db2.gz MAPPYKOGKMMDPD-PXNSSMCTSA-N 0 0 478.037 4.888 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359723777 1064271328 /nfs/dbraw/zinc/27/13/28/1064271328.db2.gz YQUCMLJVLNGNTG-MGPUTAFESA-N 0 0 453.033 4.664 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCOc1cccc(Cl)c1 ZINC001545870904 1064286387 /nfs/dbraw/zinc/28/63/87/1064286387.db2.gz ZEMBXYRZYREYHV-KRWDZBQOSA-N 0 0 471.989 4.516 20 0 JJADRN O=C(c1cc2c(ccc(F)c2Br)[nH]1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001545871165 1064286464 /nfs/dbraw/zinc/28/64/64/1064286464.db2.gz HTFFKBYNIPRHNK-UHFFFAOYSA-N 0 0 454.702 4.824 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1 ZINC001359732414 1064287011 /nfs/dbraw/zinc/28/70/11/1064287011.db2.gz DOBMPUKELLHAES-DLBZAZTESA-N 0 0 452.466 4.957 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCS1 ZINC001359732811 1064287702 /nfs/dbraw/zinc/28/77/02/1064287702.db2.gz LDIVHIKYMGHMQU-UZLBHIALSA-N 0 0 452.466 4.957 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001545872411 1064287727 /nfs/dbraw/zinc/28/77/27/1064287727.db2.gz PDXNWKMXIULTMO-HXJXPZHGSA-N 0 0 489.705 4.576 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359732994 1064288397 /nfs/dbraw/zinc/28/83/97/1064288397.db2.gz PGFHVPXYUVFVIN-IBGZPJMESA-N 0 0 475.609 4.783 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC2CCCCC2)C1 ZINC001359732943 1064288442 /nfs/dbraw/zinc/28/84/42/1064288442.db2.gz OLKCHODTHUEOCW-HXUWFJFHSA-N 0 0 471.621 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ncc(C)s3)CC2)n1CC1=CCCCC1 ZINC001545872647 1064288522 /nfs/dbraw/zinc/28/85/22/1064288522.db2.gz UVHJTLOAINFGKG-UHFFFAOYSA-N 0 0 456.660 4.846 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001545872439 1064288568 /nfs/dbraw/zinc/28/85/68/1064288568.db2.gz PLYSAVHUMWQZNF-DEOSSOPVSA-N 0 0 497.684 4.578 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C1 ZINC001359732948 1064288537 /nfs/dbraw/zinc/28/85/37/1064288537.db2.gz OQRJRMQMGLTXTJ-PMACEKPBSA-N 0 0 461.651 4.528 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1c2ccccc2C[C@@H]1C ZINC001545873944 1064288902 /nfs/dbraw/zinc/28/89/02/1064288902.db2.gz DNHGZRZKFVETNJ-LEWJYISDSA-N 0 0 466.674 4.520 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2Cl)C1 ZINC001359733027 1064288937 /nfs/dbraw/zinc/28/89/37/1064288937.db2.gz QEWQEQSWYOAQKD-QGZVFWFLSA-N 0 0 458.031 4.844 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2ccccc2)C1 ZINC001359733259 1064289574 /nfs/dbraw/zinc/28/95/74/1064289574.db2.gz VBUMIIWYZLCKCT-POHGFMBCSA-N 0 0 454.659 4.977 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1cscc1C ZINC001545874012 1064289816 /nfs/dbraw/zinc/28/98/16/1064289816.db2.gz GIVAEHZWROWFPH-UHFFFAOYSA-N 0 0 457.566 4.784 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2F)C1 ZINC001359733164 1064289847 /nfs/dbraw/zinc/28/98/47/1064289847.db2.gz SYVIWFYEXTYHJS-FQEVSTJZSA-N 0 0 469.630 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1c(C)coc1C ZINC001545874334 1064290466 /nfs/dbraw/zinc/29/04/66/1064290466.db2.gz ODCNHWAFJOFPFG-UHFFFAOYSA-N 0 0 455.525 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC(C)C)C2)n1CCC1Cc2ccccc2C1 ZINC001545874257 1064290694 /nfs/dbraw/zinc/29/06/94/1064290694.db2.gz MKPGDQABIDAIOJ-OAQYLSRUSA-N 0 0 451.659 4.874 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CSCCS2)C1 ZINC001359733475 1064291194 /nfs/dbraw/zinc/29/11/94/1064291194.db2.gz ZEVYXVIWZMMFMJ-VNTMZGSJSA-N 0 0 495.759 4.770 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1CCSC(F)(F)F ZINC001545874526 1064291497 /nfs/dbraw/zinc/29/14/97/1064291497.db2.gz VBBBJHHFHNYKPK-INIZCTEOSA-N 0 0 487.567 4.658 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cn1 ZINC001359733822 1064291743 /nfs/dbraw/zinc/29/17/43/1064291743.db2.gz HHQOXXVNTUEBIW-HNNXBMFYSA-N 0 0 450.381 4.976 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC001545875263 1064291853 /nfs/dbraw/zinc/29/18/53/1064291853.db2.gz QXMMTIXJCLOQTE-KRWDZBQOSA-N 0 0 453.608 4.907 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCC(=O)NC1CC1 ZINC001359734078 1064292531 /nfs/dbraw/zinc/29/25/31/1064292531.db2.gz MFWDDGVKAPWTBJ-IBGZPJMESA-N 0 0 478.410 4.530 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccnc2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359734308 1064293161 /nfs/dbraw/zinc/29/31/61/1064293161.db2.gz QFOBRHYCRULIDF-IBGZPJMESA-N 0 0 460.504 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H](C)c1c(C)noc1C ZINC001545877474 1064293281 /nfs/dbraw/zinc/29/32/81/1064293281.db2.gz DELXKTZKCXRUTP-LBPRGKRZSA-N 0 0 469.417 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COC)CC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545878004 1064294071 /nfs/dbraw/zinc/29/40/71/1064294071.db2.gz SWKPANDBRUZDTI-ILBGXUMGSA-N 0 0 497.684 4.536 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cccnc1 ZINC001359735694 1064295732 /nfs/dbraw/zinc/29/57/32/1064295732.db2.gz QBVPHIDBWPVJPE-JOCHJYFZSA-N 0 0 468.646 4.655 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cnccn2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359735839 1064295785 /nfs/dbraw/zinc/29/57/85/1064295785.db2.gz SCQUFLSZUBTZDY-PKOBYXMFSA-N 0 0 459.367 4.833 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cnccn2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359735837 1064295836 /nfs/dbraw/zinc/29/58/36/1064295836.db2.gz SCQUFLSZUBTZDY-IEBWSBKVSA-N 0 0 459.367 4.833 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNc1ccccn1 ZINC001359736032 1064295852 /nfs/dbraw/zinc/29/58/52/1064295852.db2.gz VWDGYIXUSAFQAE-JOCHJYFZSA-N 0 0 497.688 4.915 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001359736291 1064296256 /nfs/dbraw/zinc/29/62/56/1064296256.db2.gz AUIOHYLVWNVKAQ-IVAOSVALSA-N 0 0 475.678 4.516 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCNC(=O)OC(C)(C)C ZINC001359736331 1064296512 /nfs/dbraw/zinc/29/65/12/1064296512.db2.gz BQTVRGWBKFNGLJ-QFIPXVFZSA-N 0 0 466.630 4.890 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001359736775 1064297095 /nfs/dbraw/zinc/29/70/95/1064297095.db2.gz KYCYLGNHLCKHTE-OAQYLSRUSA-N 0 0 458.050 4.796 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2ccccn2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359736771 1064297217 /nfs/dbraw/zinc/29/72/17/1064297217.db2.gz KXRJNARGSYTIDZ-HXUWFJFHSA-N 0 0 473.547 4.805 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545882131 1064297690 /nfs/dbraw/zinc/29/76/90/1064297690.db2.gz PPQHZPRWHQUXAS-FQEVSTJZSA-N 0 0 485.673 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)C)CC2)n1Cc1ccccc1C(F)(F)F ZINC001545882311 1064297963 /nfs/dbraw/zinc/29/79/63/1064297963.db2.gz VSDKSPYKTPSWBX-UHFFFAOYSA-N 0 0 481.563 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001545882211 1064297993 /nfs/dbraw/zinc/29/79/93/1064297993.db2.gz RSOQCXFFEYKBPQ-RDGATRHJSA-N 0 0 497.684 4.758 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@@H]1CCCc2ccccc21 ZINC001545883441 1064299198 /nfs/dbraw/zinc/29/91/98/1064299198.db2.gz PIEQEWTUDASDOU-JTHBVZDNSA-N 0 0 467.658 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OCC(C)C)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001545883396 1064299220 /nfs/dbraw/zinc/29/92/20/1064299220.db2.gz NZTCWVXANUZJEK-UEVCKROQSA-N 0 0 471.621 4.706 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1C[C@H](C)c1ncc(C)s1 ZINC001545883417 1064299246 /nfs/dbraw/zinc/29/92/46/1064299246.db2.gz OVQMKGPQVUIJDC-KRWDZBQOSA-N 0 0 488.702 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@H]1CCCc2ccccc21 ZINC001545883438 1064299266 /nfs/dbraw/zinc/29/92/66/1064299266.db2.gz PIEQEWTUDASDOU-FYYLOGMGSA-N 0 0 467.658 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@@H](C)c1ncc(C)s1 ZINC001545883469 1064299836 /nfs/dbraw/zinc/29/98/36/1064299836.db2.gz QFFCQOXZQZJJKD-ZQWRNJAYSA-N 0 0 499.512 4.785 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)Nc1ccccc1 ZINC001359737833 1064300194 /nfs/dbraw/zinc/30/01/94/1064300194.db2.gz HHNYSYOFTSTEET-MQSCRBSSSA-N 0 0 453.631 4.850 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 ZINC001359737865 1064300214 /nfs/dbraw/zinc/30/02/14/1064300214.db2.gz HWSUFNFNEVGHAC-MSOLQXFVSA-N 0 0 491.587 4.751 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1nccs1 ZINC001545884402 1064300226 /nfs/dbraw/zinc/30/02/26/1064300226.db2.gz SVEIMBATCBEMSE-ZDUSSCGKSA-N 0 0 453.408 4.964 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 ZINC001359737890 1064300550 /nfs/dbraw/zinc/30/05/50/1064300550.db2.gz IMFMBZNXOZBFHZ-HBMCJLEFSA-N 0 0 461.651 4.934 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CCCO1 ZINC001359737999 1064301191 /nfs/dbraw/zinc/30/11/91/1064301191.db2.gz KSGHMNCCLCJYNE-SIKLNZKXSA-N 0 0 463.420 4.814 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001545885424 1064302375 /nfs/dbraw/zinc/30/23/75/1064302375.db2.gz XHHCCQGVZTYUNI-UHFFFAOYSA-N 0 0 479.547 4.566 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)CC(F)(F)F)C1 ZINC001359738693 1064302497 /nfs/dbraw/zinc/30/24/97/1064302497.db2.gz BDXWELFDYKMLTQ-CYBMUJFWSA-N 0 0 480.398 4.746 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1Cc1ccccc1OC(F)F ZINC001545885493 1064302612 /nfs/dbraw/zinc/30/26/12/1064302612.db2.gz ZIVPYEZOGKDZJL-UHFFFAOYSA-N 0 0 461.557 4.617 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@H]1CCC[C@H]1CC ZINC001545886599 1064302921 /nfs/dbraw/zinc/30/29/21/1064302921.db2.gz GDHIOXZUOWCJOM-UYAOXDASSA-N 0 0 483.657 4.603 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC001545886075 1064303006 /nfs/dbraw/zinc/30/30/06/1064303006.db2.gz QMQYHQIAEHLDSU-UHFFFAOYSA-N 0 0 456.955 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1Cc1ccncc1Cl ZINC001545886501 1064303045 /nfs/dbraw/zinc/30/30/45/1064303045.db2.gz BTUMPSVBLQIYCL-UHFFFAOYSA-N 0 0 473.408 4.509 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3C2)n1C[C@@H]1CCC[C@@H]1CC ZINC001545886597 1064303219 /nfs/dbraw/zinc/30/32/19/1064303219.db2.gz GDHIOXZUOWCJOM-ICSRJNTNSA-N 0 0 483.657 4.603 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H]1CC[C@H](F)C1 ZINC001545886634 1064303557 /nfs/dbraw/zinc/30/35/57/1064303557.db2.gz HCDINUZEYUGLGA-RDJZCZTQSA-N 0 0 492.437 4.660 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(Br)c3C2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001545886633 1064303774 /nfs/dbraw/zinc/30/37/74/1064303774.db2.gz HCDINUZEYUGLGA-NVXWUHKLSA-N 0 0 492.437 4.660 20 0 JJADRN COc1ncc(/C=C\C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC001434866065 1064304280 /nfs/dbraw/zinc/30/42/80/1064304280.db2.gz WWJGBDYNYZKONK-HJWRWDBZSA-N 0 0 457.412 4.800 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c2ccccc2)cc1 ZINC001434866627 1064304329 /nfs/dbraw/zinc/30/43/29/1064304329.db2.gz DSSFQPVZOKGQHV-NRFANRHFSA-N 0 0 459.937 4.933 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1ccc(F)cc1 ZINC001434866106 1064304535 /nfs/dbraw/zinc/30/45/35/1064304535.db2.gz ZTIHMURWULUURI-FQEVSTJZSA-N 0 0 454.546 4.791 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001434866976 1064305158 /nfs/dbraw/zinc/30/51/58/1064305158.db2.gz GRYFYRBKOLUUNN-INIZCTEOSA-N 0 0 453.892 4.829 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCC(=O)NC2CC2)C1 ZINC001359739075 1064305335 /nfs/dbraw/zinc/30/53/35/1064305335.db2.gz KVLJDOUDSOBORY-HNNXBMFYSA-N 0 0 494.865 4.902 20 0 JJADRN C[C@H](NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)c1ccc(OCC(F)(F)F)cc1 ZINC001434868031 1064305942 /nfs/dbraw/zinc/30/59/42/1064305942.db2.gz MAEVESVQNITGAG-HNNXBMFYSA-N 0 0 450.457 4.549 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001359739288 1064306536 /nfs/dbraw/zinc/30/65/36/1064306536.db2.gz PKHRWRSOQWUUNO-QFIPXVFZSA-N 0 0 492.487 4.888 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@H](CC(=O)OC)c3ccc(F)cc3)s2)cc1 ZINC001434869161 1064306339 /nfs/dbraw/zinc/30/63/39/1064306339.db2.gz TXVZGBRYVVZJDA-HXUWFJFHSA-N 0 0 456.539 4.945 20 0 JJADRN CCCCc1nc(-c2cccc(OC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)c2)no1 ZINC001434868771 1064306384 /nfs/dbraw/zinc/30/63/84/1064306384.db2.gz FCVVNVJWSMAYOQ-KNQAVFIVSA-N 0 0 453.926 4.858 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001359739445 1064307201 /nfs/dbraw/zinc/30/72/01/1064307201.db2.gz UKLAQABTAFWOFN-NRFANRHFSA-N 0 0 482.019 4.827 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC2CCCCC2)C1 ZINC001359739492 1064307232 /nfs/dbraw/zinc/30/72/32/1064307232.db2.gz VKZBFAWKIRSFAV-LJQANCHMSA-N 0 0 475.584 4.868 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)nc1-c1ccccc1 ZINC001434869647 1064307103 /nfs/dbraw/zinc/30/71/03/1064307103.db2.gz JVMIWTKPASVPGZ-UHFFFAOYSA-N 0 0 452.866 4.946 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)COc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 ZINC001434870037 1064307332 /nfs/dbraw/zinc/30/73/32/1064307332.db2.gz PUSPQWRFUUYFSM-QGZVFWFLSA-N 0 0 459.015 4.911 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359739629 1064308507 /nfs/dbraw/zinc/30/85/07/1064308507.db2.gz ZJNVGMUNDQTTOR-SFHVURJKSA-N 0 0 479.572 4.896 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)nc2)C1 ZINC001359739903 1064308850 /nfs/dbraw/zinc/30/88/50/1064308850.db2.gz IGIAFQVLZFMYEY-SFHVURJKSA-N 0 0 469.431 4.699 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1CCc1nc(C)c(C)s1 ZINC001545887007 1064308873 /nfs/dbraw/zinc/30/88/73/1064308873.db2.gz SKVDWNKHZJVAFM-UHFFFAOYSA-N 0 0 487.073 4.729 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2scc(C)c2Br)nc1-c1ccccc1 ZINC001434874149 1064308887 /nfs/dbraw/zinc/30/88/87/1064308887.db2.gz XYMLIAXEVMNXGI-UHFFFAOYSA-N 0 0 451.367 4.910 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001359739898 1064309211 /nfs/dbraw/zinc/30/92/11/1064309211.db2.gz IEDMLTGTEDYWGZ-HNNXBMFYSA-N 0 0 465.911 4.527 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCOc2ncccc2F)C1 ZINC001359740164 1064309242 /nfs/dbraw/zinc/30/92/42/1064309242.db2.gz NUHNNSAJWGZGBD-MRXNPFEDSA-N 0 0 474.378 4.803 20 0 JJADRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)Cc3cccc(C)c3Cl)cc2)c1 ZINC001434874669 1064309099 /nfs/dbraw/zinc/30/90/99/1064309099.db2.gz CKUARPDVRUHVJN-UHFFFAOYSA-N 0 0 450.966 4.876 20 0 JJADRN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001434876418 1064310336 /nfs/dbraw/zinc/31/03/36/1064310336.db2.gz NNPMODSKMREQGO-ZDUSSCGKSA-N 0 0 458.465 4.610 20 0 JJADRN C[C@H](COc1ccc(F)cc1F)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001434876378 1064310395 /nfs/dbraw/zinc/31/03/95/1064310395.db2.gz NNPMODSKMREQGO-CYBMUJFWSA-N 0 0 458.465 4.610 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(I)cc2)CC1 ZINC001359740702 1064310359 /nfs/dbraw/zinc/31/03/59/1064310359.db2.gz CHDAEPRXTKJWAC-UHFFFAOYSA-N 0 0 475.378 4.799 20 0 JJADRN O=C(CCNC(=O)c1cccc(OCc2ccccc2Br)c1)NC1CCCCC1 ZINC001434877074 1064310805 /nfs/dbraw/zinc/31/08/05/1064310805.db2.gz RWAWBBJMTVIXHX-UHFFFAOYSA-N 0 0 459.384 4.597 20 0 JJADRN CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H](C)c1cc2ccccc2o1 ZINC001434877990 1064310887 /nfs/dbraw/zinc/31/08/87/1064310887.db2.gz VDMPJNPGBHOJOE-SJORKVTESA-N 0 0 452.555 4.992 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001359742507 1064311370 /nfs/dbraw/zinc/31/13/70/1064311370.db2.gz QWDDCHUCXGUXIT-NHCUHLMSSA-N 0 0 459.635 4.569 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cc(Br)ccc2F)C1 ZINC001359742684 1064311990 /nfs/dbraw/zinc/31/19/90/1064311990.db2.gz SZDRVJTXUCFWBJ-ZWKOTPCHSA-N 0 0 465.411 4.799 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)s2)C1 ZINC001359742710 1064312124 /nfs/dbraw/zinc/31/21/24/1064312124.db2.gz UAEOFXPRHGFEKA-CVEARBPZSA-N 0 0 453.450 4.721 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001434879981 1064312527 /nfs/dbraw/zinc/31/25/27/1064312527.db2.gz CXDKAEDQPDUQAH-IBGZPJMESA-N 0 0 458.942 4.580 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(Br)s2)C1 ZINC001359742712 1064312703 /nfs/dbraw/zinc/31/27/03/1064312703.db2.gz UAEOFXPRHGFEKA-HZPDHXFCSA-N 0 0 453.450 4.721 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001434880703 1064313115 /nfs/dbraw/zinc/31/31/15/1064313115.db2.gz FCUQWXRBJWCHEC-YJYMSZOUSA-N 0 0 453.297 4.822 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC001434880524 1064313211 /nfs/dbraw/zinc/31/32/11/1064313211.db2.gz BNVKWOARBFLZRT-PGRDOPGGSA-N 0 0 454.368 4.841 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359743133 1064313269 /nfs/dbraw/zinc/31/32/69/1064313269.db2.gz BZUQRRWFKUMCFD-UHFFFAOYSA-N 0 0 473.543 4.968 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1Cl ZINC001434880848 1064313852 /nfs/dbraw/zinc/31/38/52/1064313852.db2.gz CLGJPLXKJGUUCE-UHFFFAOYSA-N 0 0 450.848 4.937 20 0 JJADRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(Br)ncc1Br ZINC001434882175 1064314638 /nfs/dbraw/zinc/31/46/38/1064314638.db2.gz GVUKCBXDBZHRPB-DYVFJYSZSA-N 0 0 454.162 4.504 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359744078 1064314803 /nfs/dbraw/zinc/31/48/03/1064314803.db2.gz ZBWCVOAUVOTXEX-LEWJYISDSA-N 0 0 471.621 4.890 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359744080 1064315109 /nfs/dbraw/zinc/31/51/09/1064315109.db2.gz ZBWCVOAUVOTXEX-RTWAWAEBSA-N 0 0 471.621 4.890 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CCCC1 ZINC001434883049 1064315389 /nfs/dbraw/zinc/31/53/89/1064315389.db2.gz JTDNJVHYUFBKRH-OAHLLOKOSA-N 0 0 450.348 4.992 20 0 JJADRN CC(C)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001359744335 1064315626 /nfs/dbraw/zinc/31/56/26/1064315626.db2.gz FFIHLCICBPQNFH-JGCGQSQUSA-N 0 0 455.672 4.701 20 0 JJADRN CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001359744386 1064315839 /nfs/dbraw/zinc/31/58/39/1064315839.db2.gz GVEXOVTUYVIURB-INIZCTEOSA-N 0 0 451.587 4.577 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC001434884354 1064316070 /nfs/dbraw/zinc/31/60/70/1064316070.db2.gz LSQPZLXFTQLBQS-UHFFFAOYSA-N 0 0 454.876 4.795 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001359744667 1064316546 /nfs/dbraw/zinc/31/65/46/1064316546.db2.gz OSYVPASFVVZYCH-SFHVURJKSA-N 0 0 454.644 4.579 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001359744849 1064317223 /nfs/dbraw/zinc/31/72/23/1064317223.db2.gz UVQSBGUKLWRMIM-UHFFFAOYSA-N 0 0 488.558 4.715 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359744842 1064317398 /nfs/dbraw/zinc/31/73/98/1064317398.db2.gz UJPWRUWXYMJSQS-NRFANRHFSA-N 0 0 471.646 4.639 20 0 JJADRN Cc1csc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1I ZINC001434885331 1064317641 /nfs/dbraw/zinc/31/76/41/1064317641.db2.gz VRJSKGXIKSUFJX-UHFFFAOYSA-N 0 0 455.361 4.962 20 0 JJADRN Cc1c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cccc1C(=O)N1CCOCC1 ZINC001434886643 1064318494 /nfs/dbraw/zinc/31/84/94/1064318494.db2.gz UVQUSMFFCFUJNI-UHFFFAOYSA-N 0 0 451.910 4.560 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)C1 ZINC001359745273 1064319042 /nfs/dbraw/zinc/31/90/42/1064319042.db2.gz DTZBEMCUGFFLJB-HNNXBMFYSA-N 0 0 450.921 4.633 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(Br)ccc2OC(F)F)c1 ZINC001434887773 1064319298 /nfs/dbraw/zinc/31/92/98/1064319298.db2.gz BENNZFHPUCIURH-UHFFFAOYSA-N 0 0 455.299 4.965 20 0 JJADRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001434887306 1064319495 /nfs/dbraw/zinc/31/94/95/1064319495.db2.gz SWQVHMDUICTEPJ-PMVMPFDFSA-N 0 0 457.412 4.870 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1)c1ccc(Cl)cc1 ZINC001434889187 1064319998 /nfs/dbraw/zinc/31/99/98/1064319998.db2.gz GDRHPZRDGBWAFT-UHFFFAOYSA-N 0 0 453.901 4.820 20 0 JJADRN COc1cc(Br)c(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1OC ZINC001434889135 1064320093 /nfs/dbraw/zinc/32/00/93/1064320093.db2.gz WGBHNLOLNGTLGZ-UHFFFAOYSA-N 0 0 452.320 4.583 20 0 JJADRN COc1ccc(CCCNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)cc1OC ZINC001434890691 1064320478 /nfs/dbraw/zinc/32/04/78/1064320478.db2.gz LRVQSHASPXUZRE-UHFFFAOYSA-N 0 0 457.933 4.533 20 0 JJADRN COc1ccc(CC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c(Cl)c1OC ZINC001434890009 1064320736 /nfs/dbraw/zinc/32/07/36/1064320736.db2.gz YYZAHSJVJYJZFC-UHFFFAOYSA-N 0 0 452.938 4.511 20 0 JJADRN CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 ZINC001434890284 1064320795 /nfs/dbraw/zinc/32/07/95/1064320795.db2.gz PIWBQPLLYOLDTE-KKSFZXQISA-N 0 0 459.384 4.605 20 0 JJADRN COc1cc(Br)c(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)cc1OC ZINC001434889791 1064320824 /nfs/dbraw/zinc/32/08/24/1064320824.db2.gz XSBMHXWQDSCMNB-UHFFFAOYSA-N 0 0 456.749 4.834 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC=CO2)C1 ZINC001359745950 1064321359 /nfs/dbraw/zinc/32/13/59/1064321359.db2.gz VVMCGAAUPPEZJY-PXNSSMCTSA-N 0 0 461.404 4.795 20 0 JJADRN COc1ccc(CCCNC(=O)c2cc(Br)ccc2Br)cc1OC ZINC001434891296 1064321627 /nfs/dbraw/zinc/32/16/27/1064321627.db2.gz NOYJNFYTTXKLTB-UHFFFAOYSA-N 0 0 457.162 4.591 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001359746004 1064321973 /nfs/dbraw/zinc/32/19/73/1064321973.db2.gz XCRFOTQVRUJBNB-UHFFFAOYSA-N 0 0 473.971 4.877 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nnn(C)c2c1 ZINC001434893058 1064322341 /nfs/dbraw/zinc/32/23/41/1064322341.db2.gz ADFFEWZQOCVVJR-UHFFFAOYSA-N 0 0 453.424 4.800 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001434893102 1064322425 /nfs/dbraw/zinc/32/24/25/1064322425.db2.gz HBXDSIICANCWOB-CCEZHUSRSA-N 0 0 456.391 4.728 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001359746133 1064322799 /nfs/dbraw/zinc/32/27/99/1064322799.db2.gz ZSYAQHHVHSSBMR-FGZHOGPDSA-N 0 0 473.706 4.718 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(Cl)c(Cl)cc2OC)cc1OC ZINC001434895966 1064323800 /nfs/dbraw/zinc/32/38/00/1064323800.db2.gz ZLLOLZUKXHEEAS-UHFFFAOYSA-N 0 0 450.322 4.825 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)c2ccccc2)CCO1 ZINC001359746474 1064324039 /nfs/dbraw/zinc/32/40/39/1064324039.db2.gz GYIANMSOQHPFGE-SFHVURJKSA-N 0 0 480.357 4.689 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC[C@@H](F)C2)CCO1 ZINC001359746527 1064324298 /nfs/dbraw/zinc/32/42/98/1064324298.db2.gz IEOFUSFTXSXINH-KHYOSLBOSA-N 0 0 469.374 4.846 20 0 JJADRN O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001434895977 1064324245 /nfs/dbraw/zinc/32/42/45/1064324245.db2.gz ZQCFLUUXOZTGOM-UHFFFAOYSA-N 0 0 455.243 4.658 20 0 JJADRN O=C(CCCc1ccc2c(c1)OCCCO2)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001434896027 1064324426 /nfs/dbraw/zinc/32/44/26/1064324426.db2.gz IGADPJHYELMKCY-UHFFFAOYSA-N 0 0 459.468 4.692 20 0 JJADRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)c1 ZINC001434896132 1064324516 /nfs/dbraw/zinc/32/45/16/1064324516.db2.gz LIZYFAFZASRUPX-LBPRGKRZSA-N 0 0 451.748 4.746 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccnc2OCC(F)(F)F)CCS1 ZINC001359746707 1064325048 /nfs/dbraw/zinc/32/50/48/1064325048.db2.gz LRIFYLJJOVLQMB-INIZCTEOSA-N 0 0 457.566 4.538 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c(Cl)c1 ZINC001434898188 1064326017 /nfs/dbraw/zinc/32/60/17/1064326017.db2.gz AZIUIAKKEULXSS-UHFFFAOYSA-N 0 0 450.926 4.969 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001359747261 1064326646 /nfs/dbraw/zinc/32/66/46/1064326646.db2.gz XKVDUHKTVWROEZ-QPPBQGQZSA-N 0 0 491.474 4.900 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(OC)c3)cn2)c1C ZINC001434898787 1064327113 /nfs/dbraw/zinc/32/71/13/1064327113.db2.gz HEUPZPMMKJZFIW-UHFFFAOYSA-N 0 0 455.536 4.595 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2Cl)CCO1 ZINC001359747340 1064327292 /nfs/dbraw/zinc/32/72/92/1064327292.db2.gz ZFKKGRFRMAYACY-LJQANCHMSA-N 0 0 478.822 4.609 20 0 JJADRN Cc1ccc(N(C(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c2nc3ccccc3s2)c(C)c1 ZINC001434900502 1064328075 /nfs/dbraw/zinc/32/80/75/1064328075.db2.gz KPRPSCBFGMHZFX-HXUWFJFHSA-N 0 0 451.592 4.851 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC1=CCCCC1 ZINC001545887187 1064328133 /nfs/dbraw/zinc/32/81/33/1064328133.db2.gz YDJIWMHOMXVHTH-UHFFFAOYSA-N 0 0 465.642 4.967 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001434900024 1064328389 /nfs/dbraw/zinc/32/83/89/1064328389.db2.gz YMYVTWNJPXTUPP-UHFFFAOYSA-N 0 0 456.237 4.652 20 0 JJADRN C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC001434901287 1064329102 /nfs/dbraw/zinc/32/91/02/1064329102.db2.gz OYUYFNFBJGFLKT-UTKZUKDTSA-N 0 0 459.587 4.684 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nccs2)CCO1 ZINC001359747580 1064329786 /nfs/dbraw/zinc/32/97/86/1064329786.db2.gz DWEKTADDIROANE-MRXNPFEDSA-N 0 0 482.835 4.727 20 0 JJADRN Cc1cc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC001434902338 1064330302 /nfs/dbraw/zinc/33/03/02/1064330302.db2.gz RYXZMYNXOILWEI-UHFFFAOYSA-N 0 0 450.848 4.530 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(C)CC(F)(F)F)CCO1 ZINC001359747895 1064331331 /nfs/dbraw/zinc/33/13/31/1064331331.db2.gz KVFHDBLCXXYYCV-NRFANRHFSA-N 0 0 481.607 4.988 20 0 JJADRN C[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(N2CCCC2=O)cc1 ZINC001434903116 1064331407 /nfs/dbraw/zinc/33/14/07/1064331407.db2.gz YNVCCICXQRZMHX-HNNXBMFYSA-N 0 0 452.967 4.899 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)C(C)C)CCS1 ZINC001359747993 1064331822 /nfs/dbraw/zinc/33/18/22/1064331822.db2.gz MNGJXJOXDYYCEO-GHTZIAJQSA-N 0 0 467.477 4.692 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@@H]2CCOC2)CCS1 ZINC001359748000 1064332061 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RCFPIJYXLBJBHK-CABCVRRESA-N 0 0 471.490 4.916 20 0 JJADRN C[C@@]1(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001434906911 1064333960 /nfs/dbraw/zinc/33/39/60/1064333960.db2.gz YIFMUKVVGGMNEQ-PXDATVDWSA-N 0 0 458.505 4.830 20 0 JJADRN C[C@]1(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001434906905 1064333975 /nfs/dbraw/zinc/33/39/75/1064333975.db2.gz YIFMUKVVGGMNEQ-BWKNWUBXSA-N 0 0 458.505 4.830 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)Oc1c(Br)cccc1Br ZINC001434907120 1064334060 /nfs/dbraw/zinc/33/40/60/1064334060.db2.gz YZHQZAYSVVJJFN-UHFFFAOYSA-N 0 0 457.147 4.596 20 0 JJADRN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001434906790 1064334094 /nfs/dbraw/zinc/33/40/94/1064334094.db2.gz VUZNOJOTXVQQKJ-INIZCTEOSA-N 0 0 452.383 4.695 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCSCC(F)(F)F)CCO1 ZINC001359748351 1064334297 /nfs/dbraw/zinc/33/42/97/1064334297.db2.gz UCLZDVNACZIHEU-GFCCVEGCSA-N 0 0 499.422 4.926 20 0 JJADRN CCCCCCOCc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 ZINC001434907167 1064334733 /nfs/dbraw/zinc/33/47/33/1064334733.db2.gz NOFRCWOSHVHBSD-LADGPHEKSA-N 0 0 454.615 4.844 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC=CO2)CCO1 ZINC001359748455 1064334879 /nfs/dbraw/zinc/33/48/79/1064334879.db2.gz VZVJZFDWAGOHDP-APWZRJJASA-N 0 0 481.822 4.915 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2Cl)cc1 ZINC001434909285 1064335230 /nfs/dbraw/zinc/33/52/30/1064335230.db2.gz XRLXHAKIEXHQJY-UHFFFAOYSA-N 0 0 452.919 4.978 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H](C3)S4(=O)=O)cc2Cl)cc1 ZINC001434909522 1064336197 /nfs/dbraw/zinc/33/61/97/1064336197.db2.gz ZAKGTQVKLJKLGX-WVJCCSTMSA-N 0 0 451.997 4.794 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc3nccc(C(F)(F)F)n3n2)cc1 ZINC001434910581 1064336959 /nfs/dbraw/zinc/33/69/59/1064336959.db2.gz CQYRRWUKDDZKAO-SFHVURJKSA-N 0 0 458.415 4.610 20 0 JJADRN 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ZINC001434911970 1064338251 /nfs/dbraw/zinc/33/82/51/1064338251.db2.gz HNSKYWDQJJSZBP-KOSHJBKYSA-N 0 0 450.510 4.549 20 0 JJADRN CO[C@]12CCC[C@@]1(C(=O)Nc1nc(-c3ccc(OC(F)F)cc3OC(F)F)cs1)CCO2 ZINC001434911644 1064338270 /nfs/dbraw/zinc/33/82/70/1064338270.db2.gz QJSRSLFMZCDLPA-PMACEKPBSA-N 0 0 476.448 4.885 20 0 JJADRN CCOc1c(OC)cc(CNC(=O)c2ccc(Br)c(OC(C)C)c2)cc1OC ZINC001434912010 1064338456 /nfs/dbraw/zinc/33/84/56/1064338456.db2.gz IREHWALHBDKVPT-UHFFFAOYSA-N 0 0 452.345 4.582 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001359750215 1064338526 /nfs/dbraw/zinc/33/85/26/1064338526.db2.gz IIAVXAMTWLTHTG-LEWJYISDSA-N 0 0 482.547 4.508 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)CCS1 ZINC001359749995 1064338731 /nfs/dbraw/zinc/33/87/31/1064338731.db2.gz CVVIMIGTKCPQID-JOCHJYFZSA-N 0 0 476.712 4.519 20 0 JJADRN O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001434912753 1064338992 /nfs/dbraw/zinc/33/89/92/1064338992.db2.gz LXBSKUITRNEAHA-IBGZPJMESA-N 0 0 453.970 4.528 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCC3)n2CCCCn2cc(Br)cn2)CCS1 ZINC001359751137 1064339488 /nfs/dbraw/zinc/33/94/88/1064339488.db2.gz YWAAJTDQIPOXTQ-GOSISDBHSA-N 0 0 467.481 4.563 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CCS1 ZINC001359751093 1064339532 /nfs/dbraw/zinc/33/95/32/1064339532.db2.gz YHWAZWATWDYJRJ-HNNXBMFYSA-N 0 0 477.000 4.968 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2ccc(OCC(F)F)nc2)cc1OC ZINC001434913620 1064339974 /nfs/dbraw/zinc/33/99/74/1064339974.db2.gz QMIPECNWRHSJSC-HXUWFJFHSA-N 0 0 456.489 4.765 20 0 JJADRN COc1ccc(CCNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)c(OC)c1 ZINC001434913623 1064339985 /nfs/dbraw/zinc/33/99/85/1064339985.db2.gz OKYIWUCKYWLMFA-UHFFFAOYSA-N 0 0 459.521 4.977 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(Br)n2)CCS1 ZINC001359751328 1064340129 /nfs/dbraw/zinc/34/01/29/1064340129.db2.gz BQHDAHPEDAYHDZ-MRXNPFEDSA-N 0 0 452.466 4.650 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2ccccc2)CCO1 ZINC001359751585 1064340137 /nfs/dbraw/zinc/34/01/37/1064340137.db2.gz GJNDRZYBGIXFRE-RPWUZVMVSA-N 0 0 497.684 4.887 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccsc2)CCS1 ZINC001359751813 1064340231 /nfs/dbraw/zinc/34/02/31/1064340231.db2.gz JVYQMZSIOXLMRO-OFNKIYASSA-N 0 0 478.634 4.694 20 0 JJADRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001434914117 1064340569 /nfs/dbraw/zinc/34/05/69/1064340569.db2.gz SPZRVMJYKUFUSF-OAQYLSRUSA-N 0 0 458.002 4.505 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)cc1 ZINC001434913931 1064340593 /nfs/dbraw/zinc/34/05/93/1064340593.db2.gz DDWIIVPTFUMUMQ-OAHLLOKOSA-N 0 0 455.356 4.670 20 0 JJADRN O=C(CC1(CSc2ccccc2)CC1)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC001434915298 1064342065 /nfs/dbraw/zinc/34/20/65/1064342065.db2.gz QFKBZSOTQHUCTK-UHFFFAOYSA-N 0 0 457.397 4.990 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CCO1 ZINC001359753263 1064342254 /nfs/dbraw/zinc/34/22/54/1064342254.db2.gz GAJGSRILFSMKAF-HSZRJFAPSA-N 0 0 492.624 4.520 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001434915897 1064342604 /nfs/dbraw/zinc/34/26/04/1064342604.db2.gz QMRMWVVISJRDHH-NZQKXSOJSA-N 0 0 451.320 4.980 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001434915898 1064342718 /nfs/dbraw/zinc/34/27/18/1064342718.db2.gz QMRMWVVISJRDHH-OFNKIYASSA-N 0 0 451.320 4.980 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccco2)CCS1 ZINC001359753384 1064343127 /nfs/dbraw/zinc/34/31/27/1064343127.db2.gz IXOXWZGBQLSXBR-CVDCTZTESA-N 0 0 461.031 4.601 20 0 JJADRN CCOc1cccc([C@@H](C)NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c1 ZINC001434916592 1064344241 /nfs/dbraw/zinc/34/42/41/1064344241.db2.gz JRXKSJJBFQEQFW-UZUQRXQVSA-N 0 0 451.567 4.880 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)ccn1 ZINC001434917259 1064344405 /nfs/dbraw/zinc/34/44/05/1064344405.db2.gz VLXSBJOIHXVTAQ-UHFFFAOYSA-N 0 0 458.518 4.884 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001359754123 1064344300 /nfs/dbraw/zinc/34/43/00/1064344300.db2.gz YCUNTXOEUDWAHH-IBGZPJMESA-N 0 0 457.619 4.672 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCc2csc(C(C)(C)C)n2)CCS1 ZINC001359754091 1064344456 /nfs/dbraw/zinc/34/44/56/1064344456.db2.gz XVLBMUNWLBNRBB-FQEVSTJZSA-N 0 0 470.712 4.838 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC001434917602 1064344996 /nfs/dbraw/zinc/34/49/96/1064344996.db2.gz CIAISFHIRGNHBM-RUZDIDTESA-N 0 0 451.636 4.870 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001359754330 1064344988 /nfs/dbraw/zinc/34/49/88/1064344988.db2.gz CFWMQLNMEZDAIV-HXUWFJFHSA-N 0 0 468.671 4.512 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCCNC(=O)OC(C)(C)C)CCS1 ZINC001359754376 1064345038 /nfs/dbraw/zinc/34/50/38/1064345038.db2.gz DKIPVNBSVOIPQS-QFIPXVFZSA-N 0 0 498.697 4.774 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cncn1)c1cc(OCc2ccccc2)cs1 ZINC001434918823 1064345510 /nfs/dbraw/zinc/34/55/10/1064345510.db2.gz JIQNWWLSFDCXKW-UHFFFAOYSA-N 0 0 455.337 4.923 20 0 JJADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1c(C)cc(Br)cc1Cl ZINC001434918280 1064345592 /nfs/dbraw/zinc/34/55/92/1064345592.db2.gz HNWAMCMKZFVAJA-UHFFFAOYSA-N 0 0 451.748 4.908 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CC3CC3)n2CCc2ccc(Br)s2)CCS1 ZINC001359754822 1064345606 /nfs/dbraw/zinc/34/56/06/1064345606.db2.gz MWBSRIGJWWGLID-MRXNPFEDSA-N 0 0 455.491 4.875 20 0 JJADRN O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001434918302 1064345746 /nfs/dbraw/zinc/34/57/46/1064345746.db2.gz DMUQKLHFRRVCBR-NRFANRHFSA-N 0 0 452.963 4.964 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCOC2CCCCCC2)CCO1 ZINC001359754996 1064346660 /nfs/dbraw/zinc/34/66/60/1064346660.db2.gz QCQZYYQPZYRKJB-XMMPIXPASA-N 0 0 456.631 4.500 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@H]2C)CCO1 ZINC001359755274 1064347831 /nfs/dbraw/zinc/34/78/31/1064347831.db2.gz WOSIIGWBBPUNSV-LGVFNWMJSA-N 0 0 470.658 4.688 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3cc(Cl)ccc3Sc3nccn3C)c2)o1 ZINC001434920885 1064348830 /nfs/dbraw/zinc/34/88/30/1064348830.db2.gz PNLIXBLHRNQGHF-UHFFFAOYSA-N 0 0 455.927 4.673 20 0 JJADRN Cc1c(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)cccc1C(=O)Nc1ccccc1 ZINC001434920690 1064348878 /nfs/dbraw/zinc/34/88/78/1064348878.db2.gz RVJCONPYNUBJSC-UHFFFAOYSA-N 0 0 455.436 4.929 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC001434921924 1064349663 /nfs/dbraw/zinc/34/96/63/1064349663.db2.gz ZMTCGCVLXWORTA-UHFFFAOYSA-N 0 0 452.348 4.919 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2Oc2ccccc2)CCOCC1 ZINC001434921553 1064349673 /nfs/dbraw/zinc/34/96/73/1064349673.db2.gz QCYBUJAUOFJVHP-LJQANCHMSA-N 0 0 454.567 4.805 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(O)cc2)CCS1 ZINC001359755716 1064350998 /nfs/dbraw/zinc/35/09/98/1064350998.db2.gz FJULSAUXKNJAQU-SFTDATJTSA-N 0 0 487.670 4.682 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@](C)(O)C2CC2)CCS1 ZINC001359756062 1064351502 /nfs/dbraw/zinc/35/15/02/1064351502.db2.gz KWWXEDWDWWWOND-KNQAVFIVSA-N 0 0 485.481 4.903 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)NCCc3ccccc3)cc2)nn1 ZINC001434923892 1064352272 /nfs/dbraw/zinc/35/22/72/1064352272.db2.gz GETYSHYBTQKUDV-UHFFFAOYSA-N 0 0 450.542 4.985 20 0 JJADRN Cc1cc(C)cc(Oc2ccc(CNC(=O)c3sccc3S(=O)(=O)N(C)C)cc2C)c1 ZINC001434924682 1064352788 /nfs/dbraw/zinc/35/27/88/1064352788.db2.gz PATZPDDABMRNSX-UHFFFAOYSA-N 0 0 458.605 4.646 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOCC1CC1 ZINC001359756384 1064353173 /nfs/dbraw/zinc/35/31/73/1064353173.db2.gz QIJMOLMKCPSTGG-UWJYYQICSA-N 0 0 495.437 4.771 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N(CCN1CCOCC1)c1ccccc1 ZINC001434925520 1064353601 /nfs/dbraw/zinc/35/36/01/1064353601.db2.gz CNZARGDSVMIRIK-UHFFFAOYSA-N 0 0 459.409 4.951 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001359756404 1064354073 /nfs/dbraw/zinc/35/40/73/1064354073.db2.gz QPFRXJMXLWYFIZ-XIVBQZFQSA-N 0 0 451.384 4.563 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359756697 1064354775 /nfs/dbraw/zinc/35/47/75/1064354775.db2.gz WTTRUVZDGOSSKC-POAQFYNOSA-N 0 0 477.447 4.772 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCCO)CCS1 ZINC001359756671 1064354855 /nfs/dbraw/zinc/35/48/55/1064354855.db2.gz WGVZTJMFOFHNCG-IBGZPJMESA-N 0 0 473.470 4.904 20 0 JJADRN CCCN(C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001434926854 1064355234 /nfs/dbraw/zinc/35/52/34/1064355234.db2.gz WHKGAQAOONBYND-RBUKOAKNSA-N 0 0 450.608 4.779 20 0 JJADRN CCCN(C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001434926852 1064355253 /nfs/dbraw/zinc/35/52/53/1064355253.db2.gz WHKGAQAOONBYND-OALUTQOASA-N 0 0 450.608 4.779 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1 ZINC001359756859 1064355680 /nfs/dbraw/zinc/35/56/80/1064355680.db2.gz ZKILULLCPRRFLI-GUYCJALGSA-N 0 0 482.473 4.923 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001434928298 1064355636 /nfs/dbraw/zinc/35/56/36/1064355636.db2.gz JEPSPBWXZLXMLX-UHFFFAOYSA-N 0 0 453.764 4.980 20 0 JJADRN C[C@H](CC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC001434928523 1064355731 /nfs/dbraw/zinc/35/57/31/1064355731.db2.gz RULCTJXQKBHCKK-ZBFHGGJFSA-N 0 0 457.384 4.988 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359756921 1064356164 /nfs/dbraw/zinc/35/61/64/1064356164.db2.gz AFGSMGHLWHUGMN-PNJWGLBASA-N 0 0 498.672 4.531 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001434929495 1064356485 /nfs/dbraw/zinc/35/64/85/1064356485.db2.gz RTZRDUJRYWSOOC-NRFANRHFSA-N 0 0 457.876 4.972 20 0 JJADRN CC(=O)N1CCCc2cc(NC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)ccc21 ZINC001434930322 1064357481 /nfs/dbraw/zinc/35/74/81/1064357481.db2.gz UAKRLJPJDHSPBM-QFIPXVFZSA-N 0 0 456.384 4.524 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757504 1064357434 /nfs/dbraw/zinc/35/74/34/1064357434.db2.gz IEMJHNBDNXZATJ-COPCDDAFSA-N 0 0 463.022 4.749 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001434931049 1064357533 /nfs/dbraw/zinc/35/75/33/1064357533.db2.gz QGYFQNWXJMTRAW-GFCCVEGCSA-N 0 0 459.732 4.538 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001434931054 1064357591 /nfs/dbraw/zinc/35/75/91/1064357591.db2.gz QGYFQNWXJMTRAW-LBPRGKRZSA-N 0 0 459.732 4.538 20 0 JJADRN COCCc1ccc(OCCCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1 ZINC001434930866 1064357635 /nfs/dbraw/zinc/35/76/35/1064357635.db2.gz BYHNNDHBOXGBMB-NRFANRHFSA-N 0 0 452.595 4.996 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001359757440 1064357646 /nfs/dbraw/zinc/35/76/46/1064357646.db2.gz HQALCOOEQRWGHQ-HYVJGQCMSA-N 0 0 462.585 4.784 20 0 JJADRN CSc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1Br ZINC001434932290 1064358254 /nfs/dbraw/zinc/35/82/54/1064358254.db2.gz JLXCOHPVAKQHHP-UHFFFAOYSA-N 0 0 456.365 4.748 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C ZINC001434931506 1064358359 /nfs/dbraw/zinc/35/83/59/1064358359.db2.gz HVSOGBYGFCRZCH-DZTNWFRXSA-N 0 0 455.599 4.738 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 ZINC001359757542 1064358377 /nfs/dbraw/zinc/35/83/77/1064358377.db2.gz IRBPVJJGUIEHOG-ULVUTOHESA-N 0 0 493.668 4.638 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 ZINC001359757906 1064358958 /nfs/dbraw/zinc/35/89/58/1064358958.db2.gz MMAPQARQWSEJEW-ZCYQVOJMSA-N 0 0 464.658 4.809 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001359757795 1064358988 /nfs/dbraw/zinc/35/89/88/1064358988.db2.gz LIUZAKQFBHVKDA-DYESRHJHSA-N 0 0 495.437 4.507 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001359758530 1064360408 /nfs/dbraw/zinc/36/04/08/1064360408.db2.gz VKLQCERVKOSSQM-OXJNMPFZSA-N 0 0 453.414 4.522 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCCOc3ccc(Br)cc3)cc2)no1 ZINC001434935056 1064360511 /nfs/dbraw/zinc/36/05/11/1064360511.db2.gz LFLVRNSHHARSGU-UHFFFAOYSA-N 0 0 458.356 4.897 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001359758470 1064360543 /nfs/dbraw/zinc/36/05/43/1064360543.db2.gz UXVDMMSZLJCKLT-NOZRDPDXSA-N 0 0 497.684 4.633 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001434935419 1064361305 /nfs/dbraw/zinc/36/13/05/1064361305.db2.gz QLOZRPRXUGJTKC-INIZCTEOSA-N 0 0 455.498 4.664 20 0 JJADRN CCN(C(=O)CSCc1cccc(Cl)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434937627 1064362084 /nfs/dbraw/zinc/36/20/84/1064362084.db2.gz ONAWDZSDHGLLED-UHFFFAOYSA-N 0 0 451.919 4.920 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759094 1064362097 /nfs/dbraw/zinc/36/20/97/1064362097.db2.gz CUQJKSZJOMILQU-CVDCTZTESA-N 0 0 471.552 4.563 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359759131 1064362176 /nfs/dbraw/zinc/36/21/76/1064362176.db2.gz DGIWMIRVCJHJER-OYRHQHFDSA-N 0 0 497.684 4.618 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759093 1064362189 /nfs/dbraw/zinc/36/21/89/1064362189.db2.gz CUQJKSZJOMILQU-AUSIDOKSSA-N 0 0 471.552 4.563 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759101 1064362214 /nfs/dbraw/zinc/36/22/14/1064362214.db2.gz CWROAPMCVMCUDC-NFBKMPQASA-N 0 0 473.543 4.980 20 0 JJADRN COC[C@]1(C(=O)NCc2ccc(-c3csc(C)n3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001434938155 1064362553 /nfs/dbraw/zinc/36/25/53/1064362553.db2.gz PCNRRUVLMDOZRF-DEOSSOPVSA-N 0 0 459.612 4.541 20 0 JJADRN COc1cc(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc(Br)c1OC ZINC001434937644 1064362576 /nfs/dbraw/zinc/36/25/76/1064362576.db2.gz GTPWXWBAHXOZQC-LLVKDONJSA-N 0 0 457.162 4.590 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359759195 1064362672 /nfs/dbraw/zinc/36/26/72/1064362672.db2.gz DWJANECWYMFNGX-VGOFRKELSA-N 0 0 465.425 4.860 20 0 JJADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001434937897 1064362599 /nfs/dbraw/zinc/36/25/99/1064362599.db2.gz JENWEMLRGNFQCV-BLLLJJGKSA-N 0 0 453.174 4.825 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)cc2)cs1 ZINC001434941010 1064363308 /nfs/dbraw/zinc/36/33/08/1064363308.db2.gz PVYIIDREQBRYAV-UHFFFAOYSA-N 0 0 458.374 4.995 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359759412 1064363486 /nfs/dbraw/zinc/36/34/86/1064363486.db2.gz HTGGWKZGMWCJAF-VWNXMTODSA-N 0 0 454.659 4.908 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC1(C)C ZINC001359759345 1064363523 /nfs/dbraw/zinc/36/35/23/1064363523.db2.gz GVJHIDKRZGEFOR-APWZRJJASA-N 0 0 464.452 4.876 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359759514 1064364263 /nfs/dbraw/zinc/36/42/63/1064364263.db2.gz IUPFGOAGRCXSQR-NZQKXSOJSA-N 0 0 475.678 4.565 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359759498 1064364299 /nfs/dbraw/zinc/36/42/99/1064364299.db2.gz IOBVSIAZPQIUEQ-RHGYRFJNSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 ZINC001434941951 1064364274 /nfs/dbraw/zinc/36/42/74/1064364274.db2.gz FDSIFIQMGGIZSX-JOCHJYFZSA-N 0 0 451.567 4.794 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001434941914 1064364456 /nfs/dbraw/zinc/36/44/56/1064364456.db2.gz DUUUHYCEFAJQRR-NRFANRHFSA-N 0 0 458.331 4.595 20 0 JJADRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC001434941575 1064364467 /nfs/dbraw/zinc/36/44/67/1064364467.db2.gz BRKLPEUBYLEURJ-RMKNXTFCSA-N 0 0 455.849 4.565 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)C1)OCc1ccccc1 ZINC001434941777 1064364476 /nfs/dbraw/zinc/36/44/76/1064364476.db2.gz HOLTZQBTMUMBPM-MSEWRSJXSA-N 0 0 457.368 4.650 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001434941719 1064364485 /nfs/dbraw/zinc/36/44/85/1064364485.db2.gz DDGRKKQADZPKLY-RDTXWAMCSA-N 0 0 454.311 4.702 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759641 1064364386 /nfs/dbraw/zinc/36/43/86/1064364386.db2.gz KKMMYVRHSNYRAR-IFMALSPDSA-N 0 0 460.066 4.612 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C ZINC001359759684 1064364647 /nfs/dbraw/zinc/36/46/47/1064364647.db2.gz KUYCGKBAUIHZDY-WWMYMODYSA-N 0 0 463.420 4.669 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Cl ZINC001359759716 1064364672 /nfs/dbraw/zinc/36/46/72/1064364672.db2.gz LATAURIQQIEACL-UGKGYDQZSA-N 0 0 483.016 4.666 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359759679 1064364726 /nfs/dbraw/zinc/36/47/26/1064364726.db2.gz KREGQYBUZBTSLF-UTKZUKDTSA-N 0 0 454.512 4.848 20 0 JJADRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(Br)cc(N2CCCC2)c1 ZINC001434943249 1064364800 /nfs/dbraw/zinc/36/48/00/1064364800.db2.gz LEPKEYULOGIOFK-UHFFFAOYSA-N 0 0 456.384 4.814 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 ZINC001359759777 1064365543 /nfs/dbraw/zinc/36/55/43/1064365543.db2.gz LOQLUUMZECZMLF-AABGKKOBSA-N 0 0 497.631 4.893 20 0 JJADRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cc(S(C)(=O)=O)c(Cl)cc3Cl)nc2c1 ZINC001434945021 1064365650 /nfs/dbraw/zinc/36/56/50/1064365650.db2.gz QDBBUZZQTKPTLZ-QGZVFWFLSA-N 0 0 452.363 4.559 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC001434944727 1064365691 /nfs/dbraw/zinc/36/56/91/1064365691.db2.gz UMGGWJLJTPNWDL-UHFFFAOYSA-N 0 0 458.530 4.511 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnccn1 ZINC001359759846 1064366297 /nfs/dbraw/zinc/36/62/97/1064366297.db2.gz MBBWJOTZHUJHSG-KSFYIVLOSA-N 0 0 491.423 4.651 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759829 1064366344 /nfs/dbraw/zinc/36/63/44/1064366344.db2.gz LZBADTZRQYGWDI-NFBKMPQASA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359759855 1064366395 /nfs/dbraw/zinc/36/63/95/1064366395.db2.gz MCKUCHAMWXWWKN-SBUREZEXSA-N 0 0 473.980 4.742 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359759844 1064366450 /nfs/dbraw/zinc/36/64/50/1064366450.db2.gz MBAAYPLEUMLPLL-XRXFAXGQSA-N 0 0 462.679 4.652 20 0 JJADRN C[C@H](C(=O)Nc1cc(Cl)ccc1Sc1nnnn1C)c1ccc(Br)cc1 ZINC001434946083 1064366540 /nfs/dbraw/zinc/36/65/40/1064366540.db2.gz YWCTWVSNGRQANI-JTQLQIEISA-N 0 0 452.765 4.519 20 0 JJADRN CC(C)C[C@@H](C)N(C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2[nH]ccc2c1 ZINC001434945872 1064366653 /nfs/dbraw/zinc/36/66/53/1064366653.db2.gz RVJYKMVQVZFFNI-MOPGFXCFSA-N 0 0 455.624 4.990 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359760032 1064367027 /nfs/dbraw/zinc/36/70/27/1064367027.db2.gz NZCBSKOHBXULSI-WIYYLYMNSA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F ZINC001359760084 1064367153 /nfs/dbraw/zinc/36/71/53/1064367153.db2.gz OOBYVPIXWZATTO-WBVHZDCISA-N 0 0 462.463 4.996 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(N2CCc3cc(Br)ccc3C2)nnc1C(C)(C)C ZINC001359760014 1064367168 /nfs/dbraw/zinc/36/71/68/1064367168.db2.gz NVCQFMQGDJQJEO-ICSRJNTNSA-N 0 0 461.448 4.962 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1)c1ccccc1 ZINC001434946999 1064367318 /nfs/dbraw/zinc/36/73/18/1064367318.db2.gz CQCCBICWCICDAB-HSZRJFAPSA-N 0 0 458.518 4.810 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC001434946358 1064367558 /nfs/dbraw/zinc/36/75/58/1064367558.db2.gz ZWRVICWUOQEUTA-LAUBAEHRSA-N 0 0 459.365 4.561 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359760213 1064367812 /nfs/dbraw/zinc/36/78/12/1064367812.db2.gz QNDNRKBZPAUPQG-AHJNKEMKSA-N 0 0 462.679 4.509 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359760216 1064367835 /nfs/dbraw/zinc/36/78/35/1064367835.db2.gz QNDNRKBZPAUPQG-LXHROKJGSA-N 0 0 462.679 4.509 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001359760606 1064368779 /nfs/dbraw/zinc/36/87/79/1064368779.db2.gz WLLNZNDJJCIQCH-UGKGYDQZSA-N 0 0 486.016 4.542 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC001434948110 1064369042 /nfs/dbraw/zinc/36/90/42/1064369042.db2.gz YGEJNOQPSSIMMN-VWLOTQADSA-N 0 0 457.571 4.725 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359760717 1064369402 /nfs/dbraw/zinc/36/94/02/1064369402.db2.gz YGRBENYUQBKVQL-OFNKIYASSA-N 0 0 484.442 4.724 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1cnccn1 ZINC001359760613 1064369551 /nfs/dbraw/zinc/36/95/51/1064369551.db2.gz WPSMUDBLFHRMRL-SIKLNZKXSA-N 0 0 455.006 4.519 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359760716 1064369587 /nfs/dbraw/zinc/36/95/87/1064369587.db2.gz YGRBENYUQBKVQL-NZQKXSOJSA-N 0 0 484.442 4.724 20 0 JJADRN CCCC[C@H](NC(=O)c1c(C)noc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948554 1064369600 /nfs/dbraw/zinc/36/96/00/1064369600.db2.gz DEYZHYYFEWJYQT-KRWDZBQOSA-N 0 0 452.477 4.529 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C ZINC001359760737 1064370278 /nfs/dbraw/zinc/37/02/78/1064370278.db2.gz YKYPNMBVIOZJDL-QFBILLFUSA-N 0 0 482.467 4.738 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001434950557 1064371123 /nfs/dbraw/zinc/37/11/23/1064371123.db2.gz WZBHAMNTTSEJBY-JTQLQIEISA-N 0 0 455.376 4.750 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC001434950473 1064371286 /nfs/dbraw/zinc/37/12/86/1064371286.db2.gz VZTFXTOMCPDPHX-UHFFFAOYSA-N 0 0 455.376 4.579 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001359761410 1064371802 /nfs/dbraw/zinc/37/18/02/1064371802.db2.gz HCGFKXWFQRILGC-VQIMIIECSA-N 0 0 480.838 4.934 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001359761409 1064371834 /nfs/dbraw/zinc/37/18/34/1064371834.db2.gz HCGFKXWFQRILGC-QFBILLFUSA-N 0 0 480.838 4.934 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359761482 1064372350 /nfs/dbraw/zinc/37/23/50/1064372350.db2.gz IDBNMSRUJIKSGO-FJIJXJHWSA-N 0 0 458.622 4.711 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359761594 1064372488 /nfs/dbraw/zinc/37/24/88/1064372488.db2.gz JAEKMVVZZHTGOW-KNQAVFIVSA-N 0 0 473.568 4.973 20 0 JJADRN C[C@@H](COc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001434951488 1064372870 /nfs/dbraw/zinc/37/28/70/1064372870.db2.gz DEHOLQGNJCUXQG-HNAYVOBHSA-N 0 0 452.473 4.855 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001359761611 1064373030 /nfs/dbraw/zinc/37/30/30/1064373030.db2.gz JGTLXFXWDXMRID-UKILVPOCSA-N 0 0 481.685 4.670 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1 ZINC001359761711 1064373041 /nfs/dbraw/zinc/37/30/41/1064373041.db2.gz KZVJRHCNZNGOSA-HGHGUNKESA-N 0 0 450.986 4.804 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCc1ccccn1 ZINC001359761753 1064373106 /nfs/dbraw/zinc/37/31/06/1064373106.db2.gz LTRXWLVZWMSRSW-NFBKMPQASA-N 0 0 469.033 4.909 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761661 1064373176 /nfs/dbraw/zinc/37/31/76/1064373176.db2.gz KEUUUCNKMNRQKS-GHTZIAJQSA-N 0 0 485.430 4.585 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)n(-c2ccccc2F)n1 ZINC001434953070 1064373377 /nfs/dbraw/zinc/37/33/77/1064373377.db2.gz KAZNZEZKUCMCFS-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)CC1(CNC(=O)OCc3ccccc3)CCCCC1)CC2 ZINC001434956731 1064374283 /nfs/dbraw/zinc/37/42/83/1064374283.db2.gz PEGHTOPMHPVPAC-UHFFFAOYSA-N 0 0 450.579 4.847 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)cc1 ZINC001434955438 1064374322 /nfs/dbraw/zinc/37/43/22/1064374322.db2.gz OSCBPJZMABQOCT-INIZCTEOSA-N 0 0 452.979 4.577 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)c2)C1 ZINC001434956078 1064374396 /nfs/dbraw/zinc/37/43/96/1064374396.db2.gz LVESZWCXPJTJHC-RTBURBONSA-N 0 0 458.599 4.692 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001359762061 1064374287 /nfs/dbraw/zinc/37/42/87/1064374287.db2.gz PJLJOTURRXWNAX-JFCAZQBUSA-N 0 0 489.705 4.936 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H](C)Cc1ccccc1C ZINC001434959116 1064375036 /nfs/dbraw/zinc/37/50/36/1064375036.db2.gz SVMHBHGTDCHGKG-IBGZPJMESA-N 0 0 456.542 4.551 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 ZINC001359762578 1064375981 /nfs/dbraw/zinc/37/59/81/1064375981.db2.gz WVNBVFOILPCBDV-OPYAIIAOSA-N 0 0 477.447 4.632 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ncsc1Br ZINC001434960620 1064375957 /nfs/dbraw/zinc/37/59/57/1064375957.db2.gz BOHQLHZHIWTTDZ-KRWDZBQOSA-N 0 0 456.365 4.814 20 0 JJADRN O=C(Nc1ccc2scnc2c1)c1cc(I)ccc1Br ZINC001434974714 1064376539 /nfs/dbraw/zinc/37/65/39/1064376539.db2.gz NJBKOPZHIVJQIY-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762957 1064377186 /nfs/dbraw/zinc/37/71/86/1064377186.db2.gz BFVPULDQUCQEDU-AHWVRZQESA-N 0 0 484.685 4.740 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccnc(SC(C)(C)C)c1 ZINC001434961486 1064377276 /nfs/dbraw/zinc/37/72/76/1064377276.db2.gz JMHWULXIVNMRBE-UHFFFAOYSA-N 0 0 450.402 4.802 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001434961806 1064377365 /nfs/dbraw/zinc/37/73/65/1064377365.db2.gz HHLADMKAOQHGIV-UHFFFAOYSA-N 0 0 453.542 4.754 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001359763109 1064377976 /nfs/dbraw/zinc/37/79/76/1064377976.db2.gz DSAFXEYVQJOGLF-PGRDOPGGSA-N 0 0 488.430 4.707 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F ZINC001434962162 1064378212 /nfs/dbraw/zinc/37/82/12/1064378212.db2.gz SMKCYPLBOZKCBA-ZFGGDYGUSA-N 0 0 451.469 4.678 20 0 JJADRN CCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1OC ZINC001434962343 1064378358 /nfs/dbraw/zinc/37/83/58/1064378358.db2.gz OCONXMJFMOLDAX-HTAPYJJXSA-N 0 0 458.555 4.531 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763146 1064378190 /nfs/dbraw/zinc/37/81/90/1064378190.db2.gz FOUHTBNAPMJHQI-CVDCTZTESA-N 0 0 474.621 4.841 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001434963193 1064378933 /nfs/dbraw/zinc/37/89/33/1064378933.db2.gz MBCNZXPOXIUVTQ-UHFFFAOYSA-N 0 0 458.274 4.682 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359763639 1064380316 /nfs/dbraw/zinc/38/03/16/1064380316.db2.gz NKWRNYBRSWNUPT-UCFCWBNQSA-N 0 0 486.623 4.992 20 0 JJADRN Cc1cc(C(F)(F)C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cnc1Cl ZINC001434965203 1064380454 /nfs/dbraw/zinc/38/04/54/1064380454.db2.gz PQWAZSKUXOUHLU-UHFFFAOYSA-N 0 0 453.917 4.519 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1 ZINC001359763732 1064380973 /nfs/dbraw/zinc/38/09/73/1064380973.db2.gz 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O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)c1cccc(Cn2cncn2)c1 ZINC001434967314 1064382972 /nfs/dbraw/zinc/38/29/72/1064382972.db2.gz IBHHRIXRJFFSRF-UHFFFAOYSA-N 0 0 453.384 4.764 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359764270 1064383236 /nfs/dbraw/zinc/38/32/36/1064383236.db2.gz YBWDTPPKTNWNGY-XUZZJYLKSA-N 0 0 485.579 4.953 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)c(F)c1 ZINC001434967821 1064383719 /nfs/dbraw/zinc/38/37/19/1064383719.db2.gz NACFYIWNPUMLCV-IBGZPJMESA-N 0 0 456.514 4.943 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)ccc1F ZINC001434968476 1064384316 /nfs/dbraw/zinc/38/43/16/1064384316.db2.gz PENMKDWISQYNIG-FQEVSTJZSA-N 0 0 456.514 4.943 20 0 JJADRN O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)c1cncc(N2CCCC2=O)c1 ZINC001434969782 1064385029 /nfs/dbraw/zinc/38/50/29/1064385029.db2.gz YFUARMJWDGNXCD-UHFFFAOYSA-N 0 0 456.384 4.646 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001359764772 1064385317 /nfs/dbraw/zinc/38/53/17/1064385317.db2.gz IZGONJQQBZHMEU-SFTDATJTSA-N 0 0 460.626 4.779 20 0 JJADRN CCC[C@@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434970401 1064385735 /nfs/dbraw/zinc/38/57/35/1064385735.db2.gz NSQMQJHEWJIGJD-AREMUKBSSA-N 0 0 459.590 4.915 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001434973006 1064387416 /nfs/dbraw/zinc/38/74/16/1064387416.db2.gz HOTKVYPVIFPLDB-JOCHJYFZSA-N 0 0 459.512 4.556 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c1 ZINC001359765470 1064387397 /nfs/dbraw/zinc/38/73/97/1064387397.db2.gz XEEQLFCJKBEDDI-OAQYLSRUSA-N 0 0 496.700 4.593 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)c1 ZINC001359765445 1064387628 /nfs/dbraw/zinc/38/76/28/1064387628.db2.gz WVFXVSUCXJMFHR-QFIPXVFZSA-N 0 0 496.656 4.983 20 0 JJADRN CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)c1ccc(C)cc1 ZINC001434973290 1064388065 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455.146 4.863 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC001434978048 1064393821 /nfs/dbraw/zinc/39/38/21/1064393821.db2.gz ZTAGKNVPTSQSIM-HXUWFJFHSA-N 0 0 450.366 4.611 20 0 JJADRN COCCCOc1cccc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)c1C ZINC001434978780 1064394526 /nfs/dbraw/zinc/39/45/26/1064394526.db2.gz SYMVETOZHJOOHI-UHFFFAOYSA-N 0 0 459.542 4.828 20 0 JJADRN CC(C)N(C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC001434978880 1064394571 /nfs/dbraw/zinc/39/45/71/1064394571.db2.gz ZLYJRIAEJROEHT-UHFFFAOYSA-N 0 0 458.484 4.783 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1)c1ccccc1 ZINC001434979032 1064395238 /nfs/dbraw/zinc/39/52/38/1064395238.db2.gz SRVUIQJTJIXCDT-UHFFFAOYSA-N 0 0 459.521 4.593 20 0 JJADRN O=C(COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)Nc1ccc(C(F)(F)F)cc1 ZINC001434979216 1064395282 /nfs/dbraw/zinc/39/52/82/1064395282.db2.gz XJZZPYMTPPDRJM-UHFFFAOYSA-N 0 0 452.335 4.966 20 0 JJADRN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001434981700 1064397839 /nfs/dbraw/zinc/39/78/39/1064397839.db2.gz JGRMERYAVVRDQX-UHFFFAOYSA-N 0 0 451.832 4.845 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C ZINC001434983678 1064399299 /nfs/dbraw/zinc/39/92/99/1064399299.db2.gz BSDDTRIIUWCDOK-SDNWHVSQSA-N 0 0 450.354 4.548 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C ZINC001434983675 1064399549 /nfs/dbraw/zinc/39/95/49/1064399549.db2.gz BSDDTRIIUWCDOK-KAMYIIQDSA-N 0 0 450.354 4.548 20 0 JJADRN Cc1ccccc1C1(CNC(=O)c2cccn2-c2cccc(I)c2)CC1 ZINC001434984045 1064400314 /nfs/dbraw/zinc/40/03/14/1064400314.db2.gz CKFMFMFTSXLQSD-UHFFFAOYSA-N 0 0 456.327 4.852 20 0 JJADRN C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)c1c(F)cccc1F ZINC001434984133 1064400336 /nfs/dbraw/zinc/40/03/36/1064400336.db2.gz APGMWSPJRYSFOK-CYBMUJFWSA-N 0 0 451.311 4.708 20 0 JJADRN CCc1cc(C(=O)NCCNC(=O)c2cccc(Br)c2)sc1-c1ccccc1 ZINC001434985477 1064402081 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455.595 4.914 20 0 JJADRN Cc1cccc(N(CCC(N)=O)C(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1 ZINC001434988743 1064405239 /nfs/dbraw/zinc/40/52/39/1064405239.db2.gz GXHJUPPXMJIMHO-OAQYLSRUSA-N 0 0 459.631 4.847 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ccc(OCC3CC3)nc2)cc1 ZINC001434989022 1064405270 /nfs/dbraw/zinc/40/52/70/1064405270.db2.gz SMEFIYSSLVLVNS-UHFFFAOYSA-N 0 0 453.589 4.593 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(Cl)cc1Br ZINC001434991755 1064407203 /nfs/dbraw/zinc/40/72/03/1064407203.db2.gz IBSOEBQUUCOAOW-SFHVURJKSA-N 0 0 458.183 4.559 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001434991940 1064407351 /nfs/dbraw/zinc/40/73/51/1064407351.db2.gz XLTAFUOMUVQDLA-FQEVSTJZSA-N 0 0 454.449 4.731 20 0 JJADRN C[C@@H](CC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl)n1cc(Br)cn1 ZINC001434992237 1064407405 /nfs/dbraw/zinc/40/74/05/1064407405.db2.gz JVJOYXPKBFSONC-ZDUSSCGKSA-N 0 0 453.768 4.515 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(cc1Br)OCO2 ZINC001434993812 1064408954 /nfs/dbraw/zinc/40/89/54/1064408954.db2.gz PIPZDUIMDWJDOX-UHFFFAOYSA-N 0 0 459.109 4.742 20 0 JJADRN CC(C)CC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001359772981 1064409899 /nfs/dbraw/zinc/40/98/99/1064409899.db2.gz ZQMYGSSYNPDFQA-HXUWFJFHSA-N 0 0 453.631 4.504 20 0 JJADRN CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(Br)s2)CC1 ZINC001359773186 1064410766 /nfs/dbraw/zinc/41/07/66/1064410766.db2.gz HFVLYPSYVHSNPC-UHFFFAOYSA-N 0 0 468.465 4.703 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2NC(=O)c2cccs2)nc1 ZINC001434996368 1064410893 /nfs/dbraw/zinc/41/08/93/1064410893.db2.gz IXMCCJXPOCVSOQ-UHFFFAOYSA-N 0 0 452.536 4.924 20 0 JJADRN O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001434995889 1064410922 /nfs/dbraw/zinc/41/09/22/1064410922.db2.gz FSAXDZFTBNZQHQ-UHFFFAOYSA-N 0 0 457.239 4.610 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)Cc1cc(Br)ccc1F ZINC001434996689 1064411680 /nfs/dbraw/zinc/41/16/80/1064411680.db2.gz 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OIFNLZQCSXOPOR-IBGZPJMESA-N 0 0 455.352 4.628 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC001435052795 1064471246 /nfs/dbraw/zinc/47/12/46/1064471246.db2.gz QXHKJSIBKZZKBI-KRWDZBQOSA-N 0 0 454.368 4.944 20 0 JJADRN CC1CCN(C(=S)SCC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC001435052960 1064471254 /nfs/dbraw/zinc/47/12/54/1064471254.db2.gz MNYHOHWARVDSOP-FQEVSTJZSA-N 0 0 454.105 4.561 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1CCCn1cc(Br)cn1 ZINC001359802976 1064471521 /nfs/dbraw/zinc/47/15/21/1064471521.db2.gz ZFMYWZIJSPCPTG-GOSISDBHSA-N 0 0 475.410 4.659 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC001435054880 1064473001 /nfs/dbraw/zinc/47/30/01/1064473001.db2.gz CGMCLBINAKZFMM-QGZVFWFLSA-N 0 0 455.194 4.889 20 0 JJADRN CCc1c(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435054351 1064473040 /nfs/dbraw/zinc/47/30/40/1064473040.db2.gz FGKIVTHBYWIMNH-UHFFFAOYSA-N 0 0 453.568 4.643 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1 ZINC001435054204 1064473046 /nfs/dbraw/zinc/47/30/46/1064473046.db2.gz HTOIQDFHRRKPMA-UHFFFAOYSA-N 0 0 453.955 4.759 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001359804264 1064473383 /nfs/dbraw/zinc/47/33/83/1064473383.db2.gz VUTKNGIHNZLXEA-MRXNPFEDSA-N 0 0 453.995 4.921 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c2ccccc2)cc1OC ZINC001359804915 1064473486 /nfs/dbraw/zinc/47/34/86/1064473486.db2.gz AFCWTYFOJCHQQM-UQBPGWFLSA-N 0 0 455.558 4.926 20 0 JJADRN CCC[C@@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2sccc2C1 ZINC001359805066 1064474393 /nfs/dbraw/zinc/47/43/93/1064474393.db2.gz CGCMAHSWHFOIJN-GOSISDBHSA-N 0 0 455.407 4.694 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CCC(=O)NC1CCCCC1 ZINC001359804961 1064474444 /nfs/dbraw/zinc/47/44/44/1064474444.db2.gz IKDMYOWOZCCLHM-OAQYLSRUSA-N 0 0 455.622 4.524 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ccc(Cl)cc2-n2cccc2)CC1 ZINC001435056364 1064474682 /nfs/dbraw/zinc/47/46/82/1064474682.db2.gz WLLKUGRQZVZBDS-UHFFFAOYSA-N 0 0 451.954 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359806202 1064476283 /nfs/dbraw/zinc/47/62/83/1064476283.db2.gz QXMYPPBWFKOCLN-JOCHJYFZSA-N 0 0 480.575 4.999 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545888489 1064476271 /nfs/dbraw/zinc/47/62/71/1064476271.db2.gz ODZLWHKSBHKVGH-PXDATVDWSA-N 0 0 474.049 4.760 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001435058361 1064477366 /nfs/dbraw/zinc/47/73/66/1064477366.db2.gz YMLTWHROCPSDFN-GJZGRUSLSA-N 0 0 459.782 4.929 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)nn1-c1cccc(Cl)c1 ZINC001435059940 1064478100 /nfs/dbraw/zinc/47/81/00/1064478100.db2.gz JHHPENPRVPWUQZ-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001359807707 1064478207 /nfs/dbraw/zinc/47/82/07/1064478207.db2.gz BJHNQITWQNTDBC-HHHXNRCGSA-N 0 0 491.721 4.891 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)cc1 ZINC001359808131 1064479047 /nfs/dbraw/zinc/47/90/47/1064479047.db2.gz RXHOIVHUQBZHSP-UHFFFAOYSA-N 0 0 452.414 4.577 20 0 JJADRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC001435060170 1064479089 /nfs/dbraw/zinc/47/90/89/1064479089.db2.gz ACFNDNGGHOHTDK-IBGZPJMESA-N 0 0 459.590 4.643 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359808225 1064479700 /nfs/dbraw/zinc/47/97/00/1064479700.db2.gz KIPKRIINIAINTE-UHFFFAOYSA-N 0 0 476.547 4.731 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)nn1-c1ccccc1Cl ZINC001435061953 1064479747 /nfs/dbraw/zinc/47/97/47/1064479747.db2.gz UMZFSZCUDYNMFL-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1OC1CCCC1 ZINC001435061844 1064479876 /nfs/dbraw/zinc/47/98/76/1064479876.db2.gz GVASFRPXRLLHKX-NRFANRHFSA-N 0 0 454.592 4.787 20 0 JJADRN CCCOc1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1OCCC ZINC001435060906 1064479912 /nfs/dbraw/zinc/47/99/12/1064479912.db2.gz PCFLPOLCMLUCDK-OAQYLSRUSA-N 0 0 456.608 4.655 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)cc2)cn1 ZINC001435062593 1064480723 /nfs/dbraw/zinc/48/07/23/1064480723.db2.gz BAYVLQVBWUOJKQ-UHFFFAOYSA-N 0 0 456.380 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001359808727 1064481608 /nfs/dbraw/zinc/48/16/08/1064481608.db2.gz UPAQHQODBPYVKC-NRFANRHFSA-N 0 0 463.667 4.519 20 0 JJADRN C[C@@H](CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)c(Br)c1 ZINC001435063391 1064481667 /nfs/dbraw/zinc/48/16/67/1064481667.db2.gz BERSWCBDLROBQD-ZSEKCTLFSA-N 0 0 457.384 4.891 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2ccccc21 ZINC001359809086 1064482582 /nfs/dbraw/zinc/48/25/82/1064482582.db2.gz GNMBGWZCBLISQW-TZIWHRDSSA-N 0 0 453.631 4.558 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCCSc1ccccc1 ZINC001359809132 1064482667 /nfs/dbraw/zinc/48/26/67/1064482667.db2.gz HSCQXXHYPZWRPC-UHFFFAOYSA-N 0 0 483.604 4.554 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Br)c2Cl)cc1C ZINC001435064359 1064483521 /nfs/dbraw/zinc/48/35/21/1064483521.db2.gz NDKKNFZGSQLAFM-MRXNPFEDSA-N 0 0 453.789 4.873 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC001435064307 1064483540 /nfs/dbraw/zinc/48/35/40/1064483540.db2.gz JYGHVGNTJWVPOP-UHFFFAOYSA-N 0 0 456.711 4.562 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)c(OC(F)F)c1 ZINC001435065134 1064484358 /nfs/dbraw/zinc/48/43/58/1064484358.db2.gz MWJKLAHJJRUTSH-UHFFFAOYSA-N 0 0 455.413 4.567 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCCc2cccc(OCc3occc3C(=O)OC)c21 ZINC001359810372 1064484889 /nfs/dbraw/zinc/48/48/89/1064484889.db2.gz OMPFISNWOFGEHB-RXVVDRJESA-N 0 0 455.551 4.910 20 0 JJADRN COc1ccc(CNC(=O)c2cccc(I)c2)cc1OC1CCCC1 ZINC001359810233 1064485123 /nfs/dbraw/zinc/48/51/23/1064485123.db2.gz ITFQZJRRVFPMLH-UHFFFAOYSA-N 0 0 451.304 4.551 20 0 JJADRN CSCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1 ZINC001435066196 1064485980 /nfs/dbraw/zinc/48/59/80/1064485980.db2.gz GRYNRJNBDXIHIV-KRWDZBQOSA-N 0 0 452.601 4.942 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CCC(=O)c3cccn32)c2ccccc2)cc1Br ZINC001359810972 1064486019 /nfs/dbraw/zinc/48/60/19/1064486019.db2.gz ZJYPMILCALBDFT-DENIHFKCSA-N 0 0 453.336 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc2ncccc2c1 ZINC001359811354 1064486641 /nfs/dbraw/zinc/48/66/41/1064486641.db2.gz LNKPSVCPROGZEG-OAQYLSRUSA-N 0 0 464.614 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001359811338 1064486838 /nfs/dbraw/zinc/48/68/38/1064486838.db2.gz LBPJKWPZXUFVEF-SFTDATJTSA-N 0 0 483.657 4.879 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCSc1ccccc1 ZINC001359811622 1064487700 /nfs/dbraw/zinc/48/77/00/1064487700.db2.gz TUVKRDXTVRHETJ-LJQANCHMSA-N 0 0 459.660 4.715 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Br)c(C)c2F)cc1C ZINC001435067511 1064487855 /nfs/dbraw/zinc/48/78/55/1064487855.db2.gz UUXBLYMAMHFUHJ-KRWDZBQOSA-N 0 0 451.361 4.667 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC1CCN(c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001435068466 1064489235 /nfs/dbraw/zinc/48/92/35/1064489235.db2.gz DHVVJGKFOVAWOP-QHCPKHFHSA-N 0 0 453.558 4.586 20 0 JJADRN CC(C)Cc1nnc(N2CCC(N3CCCCC3=O)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359812593 1064489262 /nfs/dbraw/zinc/48/92/62/1064489262.db2.gz OUDFWGBNUVMGMK-UHFFFAOYSA-N 0 0 496.002 4.761 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(Cl)s1 ZINC001359812551 1064489388 /nfs/dbraw/zinc/48/93/88/1064489388.db2.gz NZJPGWDCKSBQNW-UHFFFAOYSA-N 0 0 476.021 4.778 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001359813499 1064490289 /nfs/dbraw/zinc/49/02/89/1064490289.db2.gz WCPVYPSHGOYTQA-FGZHOGPDSA-N 0 0 451.394 4.587 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001359813625 1064490362 /nfs/dbraw/zinc/49/03/62/1064490362.db2.gz ZZPYKIRCUCCXHE-IRFCIJBXSA-N 0 0 453.797 4.940 20 0 JJADRN CC(C)Sc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 ZINC001435069174 1064490475 /nfs/dbraw/zinc/49/04/75/1064490475.db2.gz OALQYMAQPWIZDK-UHFFFAOYSA-N 0 0 456.612 4.892 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCc3cc(Br)ccc32)cc1C ZINC001435068928 1064490498 /nfs/dbraw/zinc/49/04/98/1064490498.db2.gz ZRLVGDGXSDCSRL-VQTJNVASSA-N 0 0 459.409 4.636 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001435068707 1064490540 /nfs/dbraw/zinc/49/05/40/1064490540.db2.gz QKELMDXZIIWQBL-HSZRJFAPSA-N 0 0 454.995 4.951 20 0 JJADRN CO[C@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1ccccc1Br ZINC001359813682 1064491063 /nfs/dbraw/zinc/49/10/63/1064491063.db2.gz BTWKRSMEFJVQPT-MSOLQXFVSA-N 0 0 459.296 4.644 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1cc(Br)c(F)cc1F ZINC001359813827 1064491114 /nfs/dbraw/zinc/49/11/14/1064491114.db2.gz HZYIJUQJQROIBY-MRXNPFEDSA-N 0 0 451.223 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359814290 1064491198 /nfs/dbraw/zinc/49/11/98/1064491198.db2.gz AXGFRZVOLBFIDZ-UHFFFAOYSA-N 0 0 487.714 4.921 20 0 JJADRN CCN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001435069193 1064491243 /nfs/dbraw/zinc/49/12/43/1064491243.db2.gz WBDDCYUGXIGKFX-NDEPHWFRSA-N 0 0 454.574 4.745 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001435070234 1064491879 /nfs/dbraw/zinc/49/18/79/1064491879.db2.gz XTXIJJVLPXBRGO-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN Cn1nc(Br)cc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435070913 1064492904 /nfs/dbraw/zinc/49/29/04/1064492904.db2.gz CPUUYGAZKYFMKZ-NSHDSACASA-N 0 0 456.056 4.796 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001359814722 1064492754 /nfs/dbraw/zinc/49/27/54/1064492754.db2.gz OGXCNUAGBRGWIW-FQEVSTJZSA-N 0 0 459.610 4.697 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC001435070851 1064493093 /nfs/dbraw/zinc/49/30/93/1064493093.db2.gz LMDIYLAGSGKMTD-KRWDZBQOSA-N 0 0 456.271 4.840 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Nc3cccnn3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359814703 1064493048 /nfs/dbraw/zinc/49/30/48/1064493048.db2.gz NVZXAMGFARGAOK-TZIWHRDSSA-N 0 0 469.678 4.577 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC1(c2ccccc2)CCOCC1 ZINC001359814776 1064493736 /nfs/dbraw/zinc/49/37/36/1064493736.db2.gz QCTZMCHNBBCEQI-UHFFFAOYSA-N 0 0 497.684 4.719 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359814800 1064493896 /nfs/dbraw/zinc/49/38/96/1064493896.db2.gz AXMAMRHLCPWLNT-VWLOTQADSA-N 0 0 471.646 4.710 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(CC(C)C)CC(C)C ZINC001435072017 1064493963 /nfs/dbraw/zinc/49/39/63/1064493963.db2.gz DLDRVUHBLWIJNA-UHFFFAOYSA-N 0 0 458.624 4.637 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CCC1(F)CCC1 ZINC001359815256 1064495485 /nfs/dbraw/zinc/49/54/85/1064495485.db2.gz YYUHGJGENKFRQO-UHFFFAOYSA-N 0 0 460.573 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359815277 1064495507 /nfs/dbraw/zinc/49/55/07/1064495507.db2.gz HIVRPROKSHEQCE-TZIWHRDSSA-N 0 0 477.694 4.906 20 0 JJADRN CCn1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C2CC2)n1 ZINC001435073579 1064495779 /nfs/dbraw/zinc/49/57/79/1064495779.db2.gz JLIJFTYIROBOTG-NRFANRHFSA-N 0 0 452.599 4.822 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC001435074469 1064496310 /nfs/dbraw/zinc/49/63/10/1064496310.db2.gz JDFUHRNPWBVBIF-UHFFFAOYSA-N 0 0 451.567 4.936 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)N(C)CCc3ccc(Br)cc3)c3c2CCC3)c1 ZINC001435074172 1064496495 /nfs/dbraw/zinc/49/64/95/1064496495.db2.gz LCBRANIBCGPYQI-UHFFFAOYSA-N 0 0 456.359 4.886 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001435075475 1064497224 /nfs/dbraw/zinc/49/72/24/1064497224.db2.gz PHVZYPQLWNWKED-LAUBAEHRSA-N 0 0 450.535 4.631 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N(C)[C@@H]3CCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001435075711 1064498162 /nfs/dbraw/zinc/49/81/62/1064498162.db2.gz KMEDULKDTZMDRA-OAQYLSRUSA-N 0 0 453.995 4.832 20 0 JJADRN Cc1cccnc1C(F)(F)C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435075927 1064498203 /nfs/dbraw/zinc/49/82/03/1064498203.db2.gz QTCVGXYQXFEIFF-HXUWFJFHSA-N 0 0 459.537 4.910 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435075914 1064498317 /nfs/dbraw/zinc/49/83/17/1064498317.db2.gz QRWLYVDJXWDHJH-NRFANRHFSA-N 0 0 452.599 4.950 20 0 JJADRN CCCc1c(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)nnn1-c1cccc(Cl)c1 ZINC001435076272 1064498844 /nfs/dbraw/zinc/49/88/44/1064498844.db2.gz ORSSKUDPXICHKS-UHFFFAOYSA-N 0 0 456.934 4.707 20 0 JJADRN CC(C)Oc1ncccc1C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435077249 1064499843 /nfs/dbraw/zinc/49/98/43/1064499843.db2.gz XYRFESCMVUZZTF-NRFANRHFSA-N 0 0 453.583 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001435077243 1064499874 /nfs/dbraw/zinc/49/98/74/1064499874.db2.gz XSZHTVPLXBOMBN-GOTSBHOMSA-N 0 0 450.579 4.809 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCCc3ccccc3)CC2)n1Cc1ccc(Cl)nc1 ZINC001359817262 1064500066 /nfs/dbraw/zinc/50/00/66/1064500066.db2.gz AIFHIWCEXPVDIX-UHFFFAOYSA-N 0 0 454.018 4.801 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1Br ZINC001435078034 1064500445 /nfs/dbraw/zinc/50/04/45/1064500445.db2.gz ZJKORWYZHQXFMF-UHFFFAOYSA-N 0 0 454.328 4.706 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)c1nc(-c2ccccc2)cs1 ZINC001435078420 1064500850 /nfs/dbraw/zinc/50/08/50/1064500850.db2.gz YHBFWQVCOXXZBJ-OAHLLOKOSA-N 0 0 455.584 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@@H]1CCSC1(C)C ZINC001545888592 1064501136 /nfs/dbraw/zinc/50/11/36/1064501136.db2.gz RDLZEQYKCJXVHT-INIZCTEOSA-N 0 0 477.625 4.569 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CCCOC(F)(F)F ZINC001359818094 1064501664 /nfs/dbraw/zinc/50/16/64/1064501664.db2.gz SEPUYHPSDSQCLP-UHFFFAOYSA-N 0 0 458.500 4.728 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001359818251 1064501719 /nfs/dbraw/zinc/50/17/19/1064501719.db2.gz XNVCYMQBJLAQMI-FQEVSTJZSA-N 0 0 466.605 4.583 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)=NN1c1ccccc1 ZINC001435079760 1064502003 /nfs/dbraw/zinc/50/20/03/1064502003.db2.gz GKCBXNTWSCKYKN-XZOQPEGZSA-N 0 0 451.542 4.760 20 0 JJADRN Cc1nn(CC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c2ncccc12 ZINC001435079972 1064502163 /nfs/dbraw/zinc/50/21/63/1064502163.db2.gz ZQYMAGFGAUXDFY-UHFFFAOYSA-N 0 0 453.424 4.650 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1C ZINC001359818802 1064502962 /nfs/dbraw/zinc/50/29/62/1064502962.db2.gz MCWBKPXMKZXTOE-UHFFFAOYSA-N 0 0 458.493 4.762 20 0 JJADRN CCN(C(=O)CCc1c(C)nc2ncnn2c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001435081701 1064503108 /nfs/dbraw/zinc/50/31/08/1064503108.db2.gz RNCUVHXJZOKWEQ-AREMUKBSSA-N 0 0 456.594 4.830 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001359819173 1064503222 /nfs/dbraw/zinc/50/32/22/1064503222.db2.gz LUUKNPRIDHBMKG-PGRDOPGGSA-N 0 0 479.456 4.639 20 0 JJADRN O=C(Nc1ccc(OCc2ccncc2)cc1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001435082342 1064503664 /nfs/dbraw/zinc/50/36/64/1064503664.db2.gz AIMGNSFUQIHKOW-UHFFFAOYSA-N 0 0 450.560 4.776 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435082352 1064503863 /nfs/dbraw/zinc/50/38/63/1064503863.db2.gz YMPJZDSUHOPHRL-DEOSSOPVSA-N 0 0 454.567 4.963 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC001359820217 1064503818 /nfs/dbraw/zinc/50/38/18/1064503818.db2.gz IXBCCQOEPPNNLA-NRFANRHFSA-N 0 0 452.576 4.689 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC001359820218 1064503958 /nfs/dbraw/zinc/50/39/58/1064503958.db2.gz IXBCCQOEPPNNLA-OAQYLSRUSA-N 0 0 452.576 4.689 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c(C)c1 ZINC001359820940 1064504003 /nfs/dbraw/zinc/50/40/03/1064504003.db2.gz XVTSZKKWSYFGEI-OXJNMPFZSA-N 0 0 454.621 4.514 20 0 JJADRN CCCN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082467 1064504259 /nfs/dbraw/zinc/50/42/59/1064504259.db2.gz HBFIUVJPBVQTPC-PKOBYXMFSA-N 0 0 451.405 4.727 20 0 JJADRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001435083501 1064504771 /nfs/dbraw/zinc/50/47/71/1064504771.db2.gz NOMSTEXJWUWMGQ-BEFAXECRSA-N 0 0 453.539 4.758 20 0 JJADRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001435083504 1064504862 /nfs/dbraw/zinc/50/48/62/1064504862.db2.gz NOMSTEXJWUWMGQ-DNVCBOLYSA-N 0 0 453.539 4.758 20 0 JJADRN CCc1c(C(=O)Nc2ccc(OCc3ccncc3)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435083208 1064504951 /nfs/dbraw/zinc/50/49/51/1064504951.db2.gz JFQSOTADRYSVQE-UHFFFAOYSA-N 0 0 457.534 4.843 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)c2)cc1 ZINC001435082885 1064505006 /nfs/dbraw/zinc/50/50/06/1064505006.db2.gz GMMZRGURYDQNED-IBGZPJMESA-N 0 0 452.576 4.628 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001435084028 1064505605 /nfs/dbraw/zinc/50/56/05/1064505605.db2.gz QHFXXHAJOCBODH-UNMCSNQZSA-N 0 0 458.530 4.663 20 0 JJADRN CC(C)Cc1nnc(N2CCc3sccc3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359823513 1064505581 /nfs/dbraw/zinc/50/55/81/1064505581.db2.gz UKALNNMYRPXXFP-UHFFFAOYSA-N 0 0 451.518 4.594 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359823148 1064505721 /nfs/dbraw/zinc/50/57/21/1064505721.db2.gz NQAJQKJQKZSYOB-VGSWGCGISA-N 0 0 489.611 4.963 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(F)cc3C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359823158 1064505885 /nfs/dbraw/zinc/50/58/85/1064505885.db2.gz NWWXJPVESUSEKI-UHFFFAOYSA-N 0 0 457.594 4.578 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)nc2)cc1 ZINC001435085335 1064505977 /nfs/dbraw/zinc/50/59/77/1064505977.db2.gz GTCDBMBJHDWXOV-RUZDIDTESA-N 0 0 451.567 4.526 20 0 JJADRN C[C@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001435085032 1064506214 /nfs/dbraw/zinc/50/62/14/1064506214.db2.gz FJOZHMSBRVGRLG-GBXCKJPGSA-N 0 0 450.583 4.564 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(F)ccc3C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359823690 1064506140 /nfs/dbraw/zinc/50/61/40/1064506140.db2.gz WWVAGFIXEQMOOT-LJQANCHMSA-N 0 0 471.621 4.826 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001359823970 1064506154 /nfs/dbraw/zinc/50/61/54/1064506154.db2.gz CBNAXOTVZZBOAY-SFHVURJKSA-N 0 0 459.543 4.859 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC001435086287 1064506618 /nfs/dbraw/zinc/50/66/18/1064506618.db2.gz MEVOSCQIMXACTH-JOCHJYFZSA-N 0 0 459.587 4.505 20 0 JJADRN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001435086479 1064506678 /nfs/dbraw/zinc/50/66/78/1064506678.db2.gz BYPZPXCWBKLKCQ-AWEZNQCLSA-N 0 0 452.454 4.527 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2cc(Cl)cc(Cl)c2)c1C ZINC001359824389 1064506777 /nfs/dbraw/zinc/50/67/77/1064506777.db2.gz LZVWRWJNQVEKQD-IBGZPJMESA-N 0 0 453.391 4.919 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c1C ZINC001359824615 1064507101 /nfs/dbraw/zinc/50/71/01/1064507101.db2.gz QMWASQUCONEDJP-FQEVSTJZSA-N 0 0 457.571 4.581 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c(C)c1 ZINC001359824523 1064507158 /nfs/dbraw/zinc/50/71/58/1064507158.db2.gz OXGLJKQPUSJUIK-FQEVSTJZSA-N 0 0 459.999 4.705 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)c1 ZINC001435088132 1064507443 /nfs/dbraw/zinc/50/74/43/1064507443.db2.gz PUUIDVOHICFICX-KDYSTLNUSA-N 0 0 466.578 4.677 20 0 JJADRN CCN1CCOC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 ZINC001435089567 1064507708 /nfs/dbraw/zinc/50/77/08/1064507708.db2.gz CVTKUBCUZVVRNG-KRWDZBQOSA-N 0 0 453.764 4.862 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001359826369 1064508322 /nfs/dbraw/zinc/50/83/22/1064508322.db2.gz NNPZVMBYBSZAEN-DYLHXGEVSA-N 0 0 477.694 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](C)COCc1ccccc1 ZINC001359826605 1064508631 /nfs/dbraw/zinc/50/86/31/1064508631.db2.gz RPIVKXOFJJAPHE-SFHVURJKSA-N 0 0 488.558 4.701 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001435092045 1064508900 /nfs/dbraw/zinc/50/89/00/1064508900.db2.gz QHEWLEBPHUJILY-UHFFFAOYSA-N 0 0 450.783 4.517 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1C[C@H](C)c1nccs1 ZINC001359826952 1064508916 /nfs/dbraw/zinc/50/89/16/1064508916.db2.gz STBKWMSQALNUNO-IRXDYDNUSA-N 0 0 488.061 4.640 20 0 JJADRN C[C@H](c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1)N1CCOCC1 ZINC001435091987 1064508936 /nfs/dbraw/zinc/50/89/36/1064508936.db2.gz YRXKTOSNMMVXEV-CQSZACIVSA-N 0 0 453.764 4.513 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001359827119 1064509401 /nfs/dbraw/zinc/50/94/01/1064509401.db2.gz VCKAYUZOUYZIKL-LJQANCHMSA-N 0 0 450.553 4.689 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCCc2ccc(Br)s2)c1 ZINC001359828297 1064510021 /nfs/dbraw/zinc/51/00/21/1064510021.db2.gz CWMVOQLAUQLHDP-INIZCTEOSA-N 0 0 453.427 4.682 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCCOc1ccc(C)cc1C ZINC001359828450 1064510243 /nfs/dbraw/zinc/51/02/43/1064510243.db2.gz HOSFHHJVNOAAGI-UHFFFAOYSA-N 0 0 456.384 4.736 20 0 JJADRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001359827927 1064510272 /nfs/dbraw/zinc/51/02/72/1064510272.db2.gz VELSGUDNUJGQKI-VWLOTQADSA-N 0 0 452.501 4.864 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC001359828415 1064510321 /nfs/dbraw/zinc/51/03/21/1064510321.db2.gz DXSDARBDDYIITM-HXUWFJFHSA-N 0 0 453.951 4.990 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)CCO1 ZINC001435095832 1064511064 /nfs/dbraw/zinc/51/10/64/1064511064.db2.gz OHJUMAXHNAKVPX-LJQANCHMSA-N 0 0 456.892 4.821 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1 ZINC001359829500 1064511331 /nfs/dbraw/zinc/51/13/31/1064511331.db2.gz WLFMDFIXTXUMNO-UHFFFAOYSA-N 0 0 454.445 4.549 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1)N1CCOCC1 ZINC001435096034 1064511525 /nfs/dbraw/zinc/51/15/25/1064511525.db2.gz BGEYJPITJJXBPW-KRWDZBQOSA-N 0 0 458.400 4.695 20 0 JJADRN C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC001435098677 1064512570 /nfs/dbraw/zinc/51/25/70/1064512570.db2.gz BHIRUXYZIRBBSA-GXTWGEPZSA-N 0 0 454.785 4.840 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359830212 1064512730 /nfs/dbraw/zinc/51/27/30/1064512730.db2.gz DTIKMMHOXURCKT-VSKRKVRLSA-N 0 0 477.694 4.669 20 0 JJADRN CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001435098013 1064512818 /nfs/dbraw/zinc/51/28/18/1064512818.db2.gz LOENVVJCCMSESC-CZUORRHYSA-N 0 0 459.058 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001359830308 1064513140 /nfs/dbraw/zinc/51/31/40/1064513140.db2.gz GPRFLQYXECPUKZ-ZWKOTPCHSA-N 0 0 481.472 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1ccccc1Br ZINC001359830867 1064513531 /nfs/dbraw/zinc/51/35/31/1064513531.db2.gz SBLCLHOGYQXXQQ-RBUKOAKNSA-N 0 0 461.448 4.930 20 0 JJADRN CCn1ncc(Br)c1C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001435100644 1064513704 /nfs/dbraw/zinc/51/37/04/1064513704.db2.gz PFOTYLXWEAYDNX-CYBMUJFWSA-N 0 0 459.207 4.737 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCN1CCOC(C)(C)C1 ZINC001359830870 1064513725 /nfs/dbraw/zinc/51/37/25/1064513725.db2.gz SCIAGCKFPRGLNQ-HXUWFJFHSA-N 0 0 474.719 4.551 20 0 JJADRN CC(C)[C@@H](C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435101252 1064514343 /nfs/dbraw/zinc/51/43/43/1064514343.db2.gz PRUHAHKNDZFPFB-VQIMIIECSA-N 0 0 450.576 4.802 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 ZINC001435101463 1064514479 /nfs/dbraw/zinc/51/44/79/1064514479.db2.gz SBHGHAPSKWEUGV-UHFFFAOYSA-N 0 0 451.523 4.675 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CCNC(=O)C(C)(C)C ZINC001359831247 1064514826 /nfs/dbraw/zinc/51/48/26/1064514826.db2.gz ZPKTZWRWIOLHEZ-FQEVSTJZSA-N 0 0 450.631 4.504 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC001435101952 1064514962 /nfs/dbraw/zinc/51/49/62/1064514962.db2.gz QFTWRIUDMJNKRK-UHFFFAOYSA-N 0 0 450.404 4.826 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1=O ZINC001435104347 1064515388 /nfs/dbraw/zinc/51/53/88/1064515388.db2.gz ZFSYPNANIIQTCL-OALUTQOASA-N 0 0 452.551 4.524 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001359832398 1064515831 /nfs/dbraw/zinc/51/58/31/1064515831.db2.gz JEQDCLILXKNBOJ-QIGHUWCUSA-N 0 0 481.685 4.633 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001359832805 1064516780 /nfs/dbraw/zinc/51/67/80/1064516780.db2.gz COEDBJIOIGVAPE-OALUTQOASA-N 0 0 452.498 4.748 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107619 1064517288 /nfs/dbraw/zinc/51/72/88/1064517288.db2.gz FZUXOUKBNUILDO-RXFWQSSRSA-N 0 0 459.590 4.967 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107847 1064517736 /nfs/dbraw/zinc/51/77/36/1064517736.db2.gz GTOJJAMDQZYGGL-UPCLLVRISA-N 0 0 452.913 4.807 20 0 JJADRN O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001435108054 1064517895 /nfs/dbraw/zinc/51/78/95/1064517895.db2.gz JNVMRJMGKTVTCN-UHFFFAOYSA-N 0 0 459.593 4.617 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H]1CCCCC1(F)F ZINC001359833027 1064517876 /nfs/dbraw/zinc/51/78/76/1064517876.db2.gz SCZBPNYAPQSZLV-RTBURBONSA-N 0 0 453.622 4.681 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108223 1064517953 /nfs/dbraw/zinc/51/79/53/1064517953.db2.gz DTWKITLZQMRFIA-CLOONOSVSA-N 0 0 451.611 4.536 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001435108742 1064518359 /nfs/dbraw/zinc/51/83/59/1064518359.db2.gz OCRIMXJXMVIRIY-QZTJIDSGSA-N 0 0 456.505 4.738 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1Cc1ccoc1 ZINC001359833489 1064518935 /nfs/dbraw/zinc/51/89/35/1064518935.db2.gz YDJFBLDKXIUURZ-GOSISDBHSA-N 0 0 467.561 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC(C)(C)c1ccccc1F ZINC001359833464 1064518989 /nfs/dbraw/zinc/51/89/89/1064518989.db2.gz XXTPYDKLPUSVOX-FQEVSTJZSA-N 0 0 457.638 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1(C)C ZINC001359833506 1064519242 /nfs/dbraw/zinc/51/92/42/1064519242.db2.gz YMVUSQFPSCUDSF-MOPGFXCFSA-N 0 0 465.708 4.844 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1Br ZINC001435109926 1064519247 /nfs/dbraw/zinc/51/92/47/1064519247.db2.gz JIFVYLCFQGGLKD-UHFFFAOYSA-N 0 0 457.357 4.788 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC001435109885 1064519363 /nfs/dbraw/zinc/51/93/63/1064519363.db2.gz IMMYJIVMDHNGEV-UHFFFAOYSA-N 0 0 456.520 4.854 20 0 JJADRN C[C@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001435110658 1064519963 /nfs/dbraw/zinc/51/99/63/1064519963.db2.gz NPLFHTACRVDQQV-KKSFZXQISA-N 0 0 453.336 4.713 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359834356 1064520211 /nfs/dbraw/zinc/52/02/11/1064520211.db2.gz BKIVPLUXNNGTRS-UXHICEINSA-N 0 0 494.453 4.691 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)c(Br)c2)cc1C ZINC001359834174 1064520225 /nfs/dbraw/zinc/52/02/25/1064520225.db2.gz WZWOWYIVSCWLRG-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCc1cccc(F)c1F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435111499 1064520335 /nfs/dbraw/zinc/52/03/35/1064520335.db2.gz RVLQDIXOSWNCNX-SIBVEZHUSA-N 0 0 456.577 4.910 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001435111742 1064520589 /nfs/dbraw/zinc/52/05/89/1064520589.db2.gz JAOBOGSTCQCJMY-HNNXBMFYSA-N 0 0 458.356 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359834726 1064520660 /nfs/dbraw/zinc/52/06/60/1064520660.db2.gz KAFCNRVQMVFKRP-IIBYNOLFSA-N 0 0 474.955 4.585 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001435111745 1064520808 /nfs/dbraw/zinc/52/08/08/1064520808.db2.gz JAOBOGSTCQCJMY-OAHLLOKOSA-N 0 0 458.356 4.807 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112235 1064520824 /nfs/dbraw/zinc/52/08/24/1064520824.db2.gz UXTBPHHBCGQHFN-JIPXPUAJSA-N 0 0 450.623 4.524 20 0 JJADRN Cc1cc([C@@H](CC(=O)NC[C@@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435112106 1064520903 /nfs/dbraw/zinc/52/09/03/1064520903.db2.gz LDGSZOVOGFPDKB-QFBILLFUSA-N 0 0 459.974 4.682 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359834917 1064521462 /nfs/dbraw/zinc/52/14/62/1064521462.db2.gz OCQCAEJQDWVHFF-QHAWAJNXSA-N 0 0 477.694 4.906 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC001435113847 1064521900 /nfs/dbraw/zinc/52/19/00/1064521900.db2.gz YRFBSNGJTMLCFM-UHFFFAOYSA-N 0 0 457.299 4.886 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359834923 1064522004 /nfs/dbraw/zinc/52/20/04/1064522004.db2.gz OGQZVDWCYVGLQS-HXUWFJFHSA-N 0 0 493.599 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2cccs2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359837142 1064523797 /nfs/dbraw/zinc/52/37/97/1064523797.db2.gz ZBQRERWZPHSKDS-HNNXBMFYSA-N 0 0 450.534 4.931 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3c(F)ccc(S(=O)(=O)CC4CC4)c3F)cc2)nc1 ZINC001435116551 1064524371 /nfs/dbraw/zinc/52/43/71/1064524371.db2.gz RMRUDUJBASNPMC-UHFFFAOYSA-N 0 0 458.486 4.897 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)c2)n1 ZINC001359838175 1064524571 /nfs/dbraw/zinc/52/45/71/1064524571.db2.gz VJLBULMELZGFGS-HFJWLAOPSA-N 0 0 454.615 4.752 20 0 JJADRN Cc1cccc(CC(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)c1Br ZINC001359837747 1064524641 /nfs/dbraw/zinc/52/46/41/1064524641.db2.gz MBQZNSHKHKIISP-ZHRRBRCNSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)c2)n1 ZINC001359838176 1064524816 /nfs/dbraw/zinc/52/48/16/1064524816.db2.gz VJLBULMELZGFGS-QYBDOPJKSA-N 0 0 454.615 4.752 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359838519 1064525119 /nfs/dbraw/zinc/52/51/19/1064525119.db2.gz COLFMTWSULFHAY-NRFANRHFSA-N 0 0 476.547 4.679 20 0 JJADRN Cc1c(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)nnn1-c1cccc(Br)c1 ZINC001435118396 1064525441 /nfs/dbraw/zinc/52/54/41/1064525441.db2.gz IDDZFYRDMUTLGJ-LJQANCHMSA-N 0 0 457.397 4.577 20 0 JJADRN Cc1nc(CCC(=O)Nc2cnn(CC(F)(F)F)c2)oc1-c1ccc(Br)cc1 ZINC001435118601 1064525479 /nfs/dbraw/zinc/52/54/79/1064525479.db2.gz HLSIHMNDXMACEV-UHFFFAOYSA-N 0 0 457.250 4.743 20 0 JJADRN CC(C)Cc1nnc(N2CCCc3sccc3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359838574 1064525429 /nfs/dbraw/zinc/52/54/29/1064525429.db2.gz DVBIRNPPCQGDLV-SFHVURJKSA-N 0 0 461.676 4.994 20 0 JJADRN CCSc1ccccc1OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC001435119181 1064525814 /nfs/dbraw/zinc/52/58/14/1064525814.db2.gz PNHKJZNRVFSFHI-UHFFFAOYSA-N 0 0 457.573 4.852 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359838624 1064525867 /nfs/dbraw/zinc/52/58/67/1064525867.db2.gz FPABVFRPVZCFBE-NRFANRHFSA-N 0 0 455.647 4.991 20 0 JJADRN CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359839264 1064525898 /nfs/dbraw/zinc/52/58/98/1064525898.db2.gz OIXBOAWZIZMTPR-OAQYLSRUSA-N 0 0 475.678 4.521 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N(CCc3ccc(F)cc3)C3CC3)o2)CC1 ZINC001435119501 1064525902 /nfs/dbraw/zinc/52/59/02/1064525902.db2.gz PNMKQRDLUQUCSZ-UHFFFAOYSA-N 0 0 457.546 4.776 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@]3(C2)OCc2ccccc23)n1CCCCNC(=O)OC(C)(C)C ZINC001359839605 1064526227 /nfs/dbraw/zinc/52/62/27/1064526227.db2.gz RQTIEJSDYQXDQK-HHHXNRCGSA-N 0 0 483.657 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2nc3ccccc3s2)n1CCNC(=O)OC(C)(C)C ZINC001359839889 1064526273 /nfs/dbraw/zinc/52/62/73/1064526273.db2.gz WMUNPGGKLGLUHZ-SFHVURJKSA-N 0 0 470.643 4.953 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2nc3ccccc3s2)n1CCNC(=O)OC(C)(C)C ZINC001359839888 1064526420 /nfs/dbraw/zinc/52/64/20/1064526420.db2.gz WMUNPGGKLGLUHZ-GOSISDBHSA-N 0 0 470.643 4.953 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 ZINC001359840188 1064526502 /nfs/dbraw/zinc/52/65/02/1064526502.db2.gz VVASJZKBNOIXQS-OAHLLOKOSA-N 0 0 456.340 4.609 20 0 JJADRN CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001359840552 1064526915 /nfs/dbraw/zinc/52/69/15/1064526915.db2.gz JWRPBVNMGNVHNB-FHWLQOOXSA-N 0 0 465.063 4.652 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001435121282 1064527442 /nfs/dbraw/zinc/52/74/42/1064527442.db2.gz SHFGYBIEMZIDAE-PZJWPPBQSA-N 0 0 450.476 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359840962 1064527414 /nfs/dbraw/zinc/52/74/14/1064527414.db2.gz WXZMOEKUOAWSKY-RUZDIDTESA-N 0 0 474.653 4.664 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001435122279 1064528041 /nfs/dbraw/zinc/52/80/41/1064528041.db2.gz YYFWTYHEUVQHER-RZUBCFFCSA-N 0 0 471.001 4.583 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359841118 1064527984 /nfs/dbraw/zinc/52/79/84/1064527984.db2.gz CABVRZIDRXFKQH-RTBURBONSA-N 0 0 473.628 4.781 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1CCC(OCCc2ccccc2)CC1 ZINC001435122874 1064528706 /nfs/dbraw/zinc/52/87/06/1064528706.db2.gz DCKIRXGLLXCNIS-UHFFFAOYSA-N 0 0 454.311 4.914 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c(OC(F)F)c1 ZINC001359842175 1064528798 /nfs/dbraw/zinc/52/87/98/1064528798.db2.gz QTAYNBCHHGGFLU-UHFFFAOYSA-N 0 0 453.492 4.598 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(S(C)(=O)=O)ccc2CC)cc1 ZINC001435123029 1064529000 /nfs/dbraw/zinc/52/90/00/1064529000.db2.gz FMHUXQFRMNBEFF-RPWUZVMVSA-N 0 0 459.608 4.561 20 0 JJADRN CC(C)Cn1cccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1=O ZINC001435123300 1064529060 /nfs/dbraw/zinc/52/90/60/1064529060.db2.gz SLKHWBSQDPGYOJ-UHFFFAOYSA-N 0 0 459.333 4.711 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC1CC(C)(C)C1 ZINC001359841703 1064529083 /nfs/dbraw/zinc/52/90/83/1064529083.db2.gz YMLKZUFIRWJBGH-UHFFFAOYSA-N 0 0 451.659 4.584 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCCCOc1ccc(F)cc1 ZINC001359841687 1064529240 /nfs/dbraw/zinc/52/92/40/1064529240.db2.gz YFWSSTRMAACQSY-UHFFFAOYSA-N 0 0 471.543 4.549 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC001359843022 1064529574 /nfs/dbraw/zinc/52/95/74/1064529574.db2.gz OMAIBWXLBHYLIN-JTSKRJEESA-N 0 0 450.507 4.756 20 0 JJADRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC001359842274 1064529777 /nfs/dbraw/zinc/52/97/77/1064529777.db2.gz VSLOHEHYSJDHPF-ZDUSSCGKSA-N 0 0 451.386 4.845 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001435124014 1064529799 /nfs/dbraw/zinc/52/97/99/1064529799.db2.gz WVSPRSXDHVVJJM-VWLOTQADSA-N 0 0 450.966 4.955 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001435123642 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JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1OC ZINC001435127169 1064532806 /nfs/dbraw/zinc/53/28/06/1064532806.db2.gz CBOMFPGEPHUDCL-UHFFFAOYSA-N 0 0 450.583 4.749 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359846780 1064532957 /nfs/dbraw/zinc/53/29/57/1064532957.db2.gz JNSQEEJTYKSLEC-IBGZPJMESA-N 0 0 499.656 4.629 20 0 JJADRN CC(C)C(=O)N1CCC(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)CC1 ZINC001435127348 1064533561 /nfs/dbraw/zinc/53/35/61/1064533561.db2.gz WULBLCKGNZBRKK-UHFFFAOYSA-N 0 0 459.384 4.752 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)Oc1ccccc1F ZINC001359847113 1064533742 /nfs/dbraw/zinc/53/37/42/1064533742.db2.gz OIPGWCOLFQQNKC-OALUTQOASA-N 0 0 475.609 4.529 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128341 1064534010 /nfs/dbraw/zinc/53/40/10/1064534010.db2.gz OYSUXCYQHFUICQ-XZOQPEGZSA-N 0 0 455.599 4.540 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C1CCCCC1 ZINC001435128069 1064534126 /nfs/dbraw/zinc/53/41/26/1064534126.db2.gz LWWXHEXDENZKIR-HSZRJFAPSA-N 0 0 453.583 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(OC(C)C)cc1 ZINC001359847524 1064534267 /nfs/dbraw/zinc/53/42/67/1064534267.db2.gz YALXNAAUNCSPMA-FQEVSTJZSA-N 0 0 471.646 4.758 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCc1cccs1 ZINC001359848661 1064534391 /nfs/dbraw/zinc/53/43/91/1064534391.db2.gz AQBIIOLDQUHQJK-GOSISDBHSA-N 0 0 459.610 4.942 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC001435129103 1064534419 /nfs/dbraw/zinc/53/44/19/1064534419.db2.gz YZFXNDYAEGJAMD-CQSZACIVSA-N 0 0 454.411 4.986 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128626 1064534430 /nfs/dbraw/zinc/53/44/30/1064534430.db2.gz TVABIECOYNSTID-SFHVURJKSA-N 0 0 455.640 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCCOCc1ccccc1 ZINC001359848852 1064534865 /nfs/dbraw/zinc/53/48/65/1064534865.db2.gz CWFLVCBMRYMVCJ-JOCHJYFZSA-N 0 0 485.673 4.919 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccccc1N1CCCCC1 ZINC001359848911 1064535020 /nfs/dbraw/zinc/53/50/20/1064535020.db2.gz DOUFIZCEBDIOPD-FQEVSTJZSA-N 0 0 478.607 4.588 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H](C)c1nccs1 ZINC001359849546 1064535965 /nfs/dbraw/zinc/53/59/65/1064535965.db2.gz JYVHMSVSMKDIHH-ROUUACIJSA-N 0 0 474.625 4.898 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H](C)c1nccs1 ZINC001359849545 1064536092 /nfs/dbraw/zinc/53/60/92/1064536092.db2.gz JYVHMSVSMKDIHH-QZTJIDSGSA-N 0 0 474.625 4.898 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001359850362 1064536565 /nfs/dbraw/zinc/53/65/65/1064536565.db2.gz QXJHSGRAIGHQLA-JOCHJYFZSA-N 0 0 453.631 4.762 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccccc1OCC1CC1 ZINC001359850381 1064536581 /nfs/dbraw/zinc/53/65/81/1064536581.db2.gz RGFWONIMMGLNLM-HXUWFJFHSA-N 0 0 483.657 4.759 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Br)cc1)C1CCCCCC1 ZINC001435132204 1064536684 /nfs/dbraw/zinc/53/66/84/1064536684.db2.gz RYQYMTJVZYRNGC-IBGZPJMESA-N 0 0 453.421 4.972 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(OCc4ccccc4)cc3C)C2=O)c1 ZINC001435131604 1064536743 /nfs/dbraw/zinc/53/67/43/1064536743.db2.gz SKBBAKPQSYGXFC-XMMPIXPASA-N 0 0 457.530 4.726 20 0 JJADRN O=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(I)c1 ZINC001435132655 1064537112 /nfs/dbraw/zinc/53/71/12/1064537112.db2.gz FUFWHWZGBHOMCC-UHFFFAOYSA-N 0 0 453.345 4.956 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359850581 1064537126 /nfs/dbraw/zinc/53/71/26/1064537126.db2.gz UJOJDAAOUAFGKI-QGZVFWFLSA-N 0 0 478.588 4.883 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC001435133689 1064537838 /nfs/dbraw/zinc/53/78/38/1064537838.db2.gz JPYKZDMTBATPHA-QHCPKHFHSA-N 0 0 458.514 4.899 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)NCCCc1cccc(Br)c1 ZINC001435134176 1064537852 /nfs/dbraw/zinc/53/78/52/1064537852.db2.gz HAKAZCIZRDWUMO-UHFFFAOYSA-N 0 0 451.162 4.530 20 0 JJADRN C[C@@H](NC(=O)Cc1noc2ccc(Br)cc12)c1ccc(F)c(Br)c1 ZINC001435135693 1064539045 /nfs/dbraw/zinc/53/90/45/1064539045.db2.gz RRUFSQRGBDLTIO-SECBINFHSA-N 0 0 456.109 4.912 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)c1nnn(CCOc2ccc(F)cc2)c1C)C(C)C ZINC001435136593 1064539324 /nfs/dbraw/zinc/53/93/24/1064539324.db2.gz HHPCOTAJJUGMQZ-QFIPXVFZSA-N 0 0 450.514 4.986 20 0 JJADRN Cc1cc2cc(C(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)oc2c(Br)c1 ZINC001435138512 1064540309 /nfs/dbraw/zinc/54/03/09/1064540309.db2.gz IDLURGWZJLFJQF-UHFFFAOYSA-N 0 0 456.340 4.845 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC001435142224 1064542543 /nfs/dbraw/zinc/54/25/43/1064542543.db2.gz MBZYCOSJDTZCEV-UHFFFAOYSA-N 0 0 459.907 4.575 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cccc(CNC(C)=O)c1 ZINC001435142237 1064542722 /nfs/dbraw/zinc/54/27/22/1064542722.db2.gz MSEWFRXTBCWJHP-UHFFFAOYSA-N 0 0 452.894 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359855787 1064543468 /nfs/dbraw/zinc/54/34/68/1064543468.db2.gz RQPQCWYIPZRONU-UHFFFAOYSA-N 0 0 480.604 4.547 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN([C@H](CC)c4ccc(F)cc4F)CC3)cc2nc1CC ZINC001435143436 1064544333 /nfs/dbraw/zinc/54/43/33/1064544333.db2.gz NMTLXTHAOPXJPR-RUZDIDTESA-N 0 0 452.549 4.942 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)n1 ZINC001435143829 1064544676 /nfs/dbraw/zinc/54/46/76/1064544676.db2.gz RFOWIWXSDZPYGE-UHFFFAOYSA-N 0 0 452.393 4.548 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 ZINC001435144156 1064544765 /nfs/dbraw/zinc/54/47/65/1064544765.db2.gz GERZPHVDYJXOGO-UHFFFAOYSA-N 0 0 450.926 4.983 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)Cc3ccc(-n4cnnc4)cc3)cc2C)c1 ZINC001435144298 1064544866 /nfs/dbraw/zinc/54/48/66/1064544866.db2.gz IJECZZNPFACVMU-UHFFFAOYSA-N 0 0 454.574 4.973 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC001435145655 1064545968 /nfs/dbraw/zinc/54/59/68/1064545968.db2.gz YNZKRPAYEYRHCW-LBPRGKRZSA-N 0 0 458.219 4.792 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)cc2)n1 ZINC001435145982 1064546322 /nfs/dbraw/zinc/54/63/22/1064546322.db2.gz VOIHIMGWGLOQMK-MHZLTWQESA-N 0 0 458.562 4.969 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC001435146348 1064547175 /nfs/dbraw/zinc/54/71/75/1064547175.db2.gz AICALTHZEZPUGO-MRXNPFEDSA-N 0 0 455.045 4.525 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1Br ZINC001435147241 1064547608 /nfs/dbraw/zinc/54/76/08/1064547608.db2.gz JLLAXEUEQHQRQT-UHFFFAOYSA-N 0 0 452.146 4.911 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cc1 ZINC001435147907 1064548100 /nfs/dbraw/zinc/54/81/00/1064548100.db2.gz GXUYKKBPPXFRBW-NRFANRHFSA-N 0 0 454.617 4.837 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435148365 1064548540 /nfs/dbraw/zinc/54/85/40/1064548540.db2.gz IGVWDFRNSWBLFB-CQSZACIVSA-N 0 0 457.283 4.598 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cccc(Cl)c3SCC(F)F)C2)c1 ZINC001435148516 1064548659 /nfs/dbraw/zinc/54/86/59/1064548659.db2.gz MMPVHZFHYVBAMF-QGZVFWFLSA-N 0 0 456.898 4.846 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001435148182 1064548706 /nfs/dbraw/zinc/54/87/06/1064548706.db2.gz KEHDAKZAUNWFNI-UTKZUKDTSA-N 0 0 455.345 4.917 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC001435148726 1064548772 /nfs/dbraw/zinc/54/87/72/1064548772.db2.gz MVLLNEQVTQOUJX-GUYCJALGSA-N 0 0 454.748 4.855 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCc2cc(Br)ccc21 ZINC001435149256 1064549149 /nfs/dbraw/zinc/54/91/49/1064549149.db2.gz NFJYQMBTVOFAFW-QFBILLFUSA-N 0 0 453.302 4.893 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001435149745 1064549843 /nfs/dbraw/zinc/54/98/43/1064549843.db2.gz OSVHRXFNOZRJEX-INIZCTEOSA-N 0 0 453.892 4.962 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c1 ZINC001435151770 1064551455 /nfs/dbraw/zinc/55/14/55/1064551455.db2.gz AFJZMGPOEKBOHP-UHFFFAOYSA-N 0 0 459.474 4.817 20 0 JJADRN Cc1ccc(N(CCC(=O)NC(C)(C)c2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC001435152058 1064551544 /nfs/dbraw/zinc/55/15/44/1064551544.db2.gz BRBPFJSJWGOFRW-UHFFFAOYSA-N 0 0 454.567 4.771 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F)c1cccs1 ZINC001435152385 1064551734 /nfs/dbraw/zinc/55/17/34/1064551734.db2.gz MKHDMRJWSNSDDV-KRWDZBQOSA-N 0 0 456.474 4.678 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CC=CCC1 ZINC001359861556 1064551798 /nfs/dbraw/zinc/55/17/98/1064551798.db2.gz ZEKDEFMFPGCSGW-FQEVSTJZSA-N 0 0 456.704 4.909 20 0 JJADRN Cc1cc(C(=O)N(C)c2ccc3ccccc3n2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001435153817 1064552208 /nfs/dbraw/zinc/55/22/08/1064552208.db2.gz XNHFPFIEDAAFQI-UHFFFAOYSA-N 0 0 451.592 4.549 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ccc1F ZINC001435154548 1064552524 /nfs/dbraw/zinc/55/25/24/1064552524.db2.gz ISXYFBFTELXRTP-CFCCAZDESA-N 0 0 452.979 4.637 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359862185 1064552946 /nfs/dbraw/zinc/55/29/46/1064552946.db2.gz GJAZJVQTOGIAHE-OAHLLOKOSA-N 0 0 450.484 4.655 20 0 JJADRN Cc1ccc(Sc2c(Cl)cccc2NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc1 ZINC001435155915 1064553040 /nfs/dbraw/zinc/55/30/40/1064553040.db2.gz QLAJHRHUMXQNMO-YADHBBJMSA-N 0 0 467.978 4.732 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc(Cl)ccc1-n1cncn1 ZINC001435156388 1064553595 /nfs/dbraw/zinc/55/35/95/1064553595.db2.gz FIRNCRQLQPNNSH-WJOKGBTCSA-N 0 0 450.951 4.622 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccccc1 ZINC001435158089 1064554864 /nfs/dbraw/zinc/55/48/64/1064554864.db2.gz PPRBPNNLUJUOTB-FQEVSTJZSA-N 0 0 458.892 4.946 20 0 JJADRN Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c1Br ZINC001435158782 1064555229 /nfs/dbraw/zinc/55/52/29/1064555229.db2.gz RLRFVLNPFSSLRH-NRFANRHFSA-N 0 0 451.364 4.762 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCOC(F)(F)F ZINC001359865170 1064555494 /nfs/dbraw/zinc/55/54/94/1064555494.db2.gz COVCXAYMYSEASE-QGZVFWFLSA-N 0 0 480.453 5.000 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359865775 1064555939 /nfs/dbraw/zinc/55/59/39/1064555939.db2.gz IWQDHIJWRHFZSQ-INIZCTEOSA-N 0 0 484.066 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001359865940 1064556472 /nfs/dbraw/zinc/55/64/72/1064556472.db2.gz KWWKNTOBXRYPRB-LMNJBCLMSA-N 0 0 466.548 4.746 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359865943 1064556593 /nfs/dbraw/zinc/55/65/93/1064556593.db2.gz KYAUJSZBURGVJA-LJQANCHMSA-N 0 0 457.619 4.996 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC001435160592 1064556748 /nfs/dbraw/zinc/55/67/48/1064556748.db2.gz JMMZLTXBAZKCEU-JGCGQSQUSA-N 0 0 457.546 4.939 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359866110 1064556820 /nfs/dbraw/zinc/55/68/20/1064556820.db2.gz NNNIDZGPEIVDFY-HRAATJIYSA-N 0 0 467.060 4.739 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001359866112 1064556965 /nfs/dbraw/zinc/55/69/65/1064556965.db2.gz NNNIDZGPEIVDFY-IIBYNOLFSA-N 0 0 467.060 4.739 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@](C)(O)c1cccs1 ZINC001359866223 1064557121 /nfs/dbraw/zinc/55/71/21/1064557121.db2.gz ODANXCKPDCWTSS-YADARESESA-N 0 0 492.592 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCCOCC(F)F ZINC001359866618 1064558204 /nfs/dbraw/zinc/55/82/04/1064558204.db2.gz VNNLQAKPCONYKB-SFHVURJKSA-N 0 0 460.928 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359866657 1064558510 /nfs/dbraw/zinc/55/85/10/1064558510.db2.gz WNVAMBQEUQABNV-YLJYHZDGSA-N 0 0 478.037 4.621 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435162930 1064559046 /nfs/dbraw/zinc/55/90/46/1064559046.db2.gz QLNVLOSYNRKXJL-CQSZACIVSA-N 0 0 459.333 4.888 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c2ccccn2)cc1 ZINC001435163331 1064559474 /nfs/dbraw/zinc/55/94/74/1064559474.db2.gz XHONGZHNADIFFY-OAQYLSRUSA-N 0 0 451.452 4.703 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nccs3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359867907 1064559545 /nfs/dbraw/zinc/55/95/45/1064559545.db2.gz FQZFJZJSTPPXJQ-IBGZPJMESA-N 0 0 495.571 4.638 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1Cc1ccncc1Cl ZINC001359868384 1064560565 /nfs/dbraw/zinc/56/05/65/1064560565.db2.gz KJQPICHZQGZJQL-FQEVSTJZSA-N 0 0 490.833 4.914 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)C2CC2)nc1C ZINC001359868479 1064560649 /nfs/dbraw/zinc/56/06/49/1064560649.db2.gz OKPNZWYQXHXCTN-UHFFFAOYSA-N 0 0 456.955 4.856 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccnc(-c3ccccc3)n2)c2ccc(OC)cc2OC)cc1 ZINC001435165465 1064561047 /nfs/dbraw/zinc/56/10/47/1064561047.db2.gz LHPBCZBXNTYJAI-RUZDIDTESA-N 0 0 455.514 4.689 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC001359868859 1064561191 /nfs/dbraw/zinc/56/11/91/1064561191.db2.gz WXHZBYGOGCSOMF-UHFFFAOYSA-N 0 0 456.593 4.620 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[C@H]1CCCCO1 ZINC001359869186 1064561361 /nfs/dbraw/zinc/56/13/61/1064561361.db2.gz UETPYNHCSDIRLI-NQIIRXRSSA-N 0 0 450.986 4.806 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)cc21 ZINC001435165711 1064561551 /nfs/dbraw/zinc/56/15/51/1064561551.db2.gz FACAVHJMTRPLAL-UHFFFAOYSA-N 0 0 452.436 4.720 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359869323 1064562200 /nfs/dbraw/zinc/56/22/00/1064562200.db2.gz WCRNWNUBSPLCKA-NRFANRHFSA-N 0 0 490.048 4.575 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435167088 1064562527 /nfs/dbraw/zinc/56/25/27/1064562527.db2.gz LQRMQUTYGVGSQK-LJQANCHMSA-N 0 0 457.317 4.819 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC001435167245 1064562595 /nfs/dbraw/zinc/56/25/95/1064562595.db2.gz ACWJKYSWUANLHT-DFBJGRDBSA-N 0 0 455.555 4.844 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1F ZINC001435167153 1064562667 /nfs/dbraw/zinc/56/26/67/1064562667.db2.gz OPPUAHVFOCOGKQ-HHHXNRCGSA-N 0 0 452.301 4.750 20 0 JJADRN CC[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435167362 1064562714 /nfs/dbraw/zinc/56/27/14/1064562714.db2.gz CGPJZKMXILOBSH-VWLOTQADSA-N 0 0 454.636 4.720 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)ccc1OCc1cscn1 ZINC001435167485 1064563087 /nfs/dbraw/zinc/56/30/87/1064563087.db2.gz CRPVYMDLSRANLG-LJAQVGFWSA-N 0 0 450.969 4.515 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)ccc1N1C(=O)CCC1=O ZINC001435167596 1064563136 /nfs/dbraw/zinc/56/31/36/1064563136.db2.gz FVTXBAFCFGQMPK-UHFFFAOYSA-N 0 0 458.440 4.850 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)cc1)c1ccc(F)cc1 ZINC001359872137 1064563245 /nfs/dbraw/zinc/56/32/45/1064563245.db2.gz DPZXIEWGJDOWIX-FQEVSTJZSA-N 0 0 456.832 4.969 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c2cc(Br)ccc2n1 ZINC001435168652 1064564183 /nfs/dbraw/zinc/56/41/83/1064564183.db2.gz LNXIZYBXRUJPSL-UHFFFAOYSA-N 0 0 452.308 4.520 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359873747 1064564217 /nfs/dbraw/zinc/56/42/17/1064564217.db2.gz QLWZVDMKXOQOEU-OTWHNJEPSA-N 0 0 463.692 4.596 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)nc1C(F)(F)F ZINC001435168799 1064564647 /nfs/dbraw/zinc/56/46/47/1064564647.db2.gz CEEBSERWAGHMEQ-SNVBAGLBSA-N 0 0 453.770 4.661 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435170385 1064565220 /nfs/dbraw/zinc/56/52/20/1064565220.db2.gz HWPGDHHOVHHFJO-CQSZACIVSA-N 0 0 457.290 4.973 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1C(F)(F)F ZINC001435170258 1064565229 /nfs/dbraw/zinc/56/52/29/1064565229.db2.gz PCSPTQGBPWZFNU-PMERELPUSA-N 0 0 455.889 4.984 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCOc1ccc(F)cc1 ZINC001359875078 1064565317 /nfs/dbraw/zinc/56/53/17/1064565317.db2.gz CDGAKRLGWDRZPV-HXUWFJFHSA-N 0 0 475.609 4.578 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1CCOc2ccccc21 ZINC001359875482 1064565515 /nfs/dbraw/zinc/56/55/15/1064565515.db2.gz JLICHCDSUYZAKM-UXHICEINSA-N 0 0 469.630 4.536 20 0 JJADRN CC[C@]1(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435170947 1064565654 /nfs/dbraw/zinc/56/56/54/1064565654.db2.gz OVONSVDOIUKUKR-UKJJDJLKSA-N 0 0 456.608 4.970 20 0 JJADRN CCOc1ccc(N(C(=O)[C@@H](C)c2c(C)noc2C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359875956 1064565860 /nfs/dbraw/zinc/56/58/60/1064565860.db2.gz UJSLZGKKOUYZHW-HNNXBMFYSA-N 0 0 453.505 4.854 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCSCC1 ZINC001435171857 1064566331 /nfs/dbraw/zinc/56/63/31/1064566331.db2.gz UGDAINPRLVDLFC-HKBQPEDESA-N 0 0 459.633 4.788 20 0 JJADRN COc1cc(OC)nc(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)n1 ZINC001435171680 1064566391 /nfs/dbraw/zinc/56/63/91/1064566391.db2.gz WTZKOUFEAMNSCL-UHFFFAOYSA-N 0 0 455.942 4.615 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2nc(C(C)(C)C)ns2)cs1 ZINC001359876114 1064566444 /nfs/dbraw/zinc/56/64/44/1064566444.db2.gz VSLJEQGQKHCMFP-UHFFFAOYSA-N 0 0 453.387 4.983 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OC(F)(F)F ZINC001359876622 1064566999 /nfs/dbraw/zinc/56/69/99/1064566999.db2.gz BNGMHYSUMCWTIJ-SBUREZEXSA-N 0 0 495.546 4.527 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359877135 1064567083 /nfs/dbraw/zinc/56/70/83/1064567083.db2.gz MTIBBVSVBJHNIH-RBUKOAKNSA-N 0 0 463.964 4.953 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001359877050 1064567338 /nfs/dbraw/zinc/56/73/38/1064567338.db2.gz MFHPENDZHVPQOR-GKVSMKOHSA-N 0 0 488.702 4.577 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)ccn1 ZINC001435173140 1064567369 /nfs/dbraw/zinc/56/73/69/1064567369.db2.gz ZOBUDVGWGLFZMT-YTTGMZPUSA-N 0 0 451.548 4.989 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C1 ZINC001359877706 1064567885 /nfs/dbraw/zinc/56/78/85/1064567885.db2.gz DCAZKDBAZFVTTR-HEKQDTSFSA-N 0 0 462.635 4.731 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC(C)(C)C2)C1 ZINC001359878026 1064569115 /nfs/dbraw/zinc/56/91/15/1064569115.db2.gz FZRUROZHMCDVRX-IBGZPJMESA-N 0 0 473.687 4.504 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC001435176281 1064569529 /nfs/dbraw/zinc/56/95/29/1064569529.db2.gz IIVGTHNZLFIOCI-LOSJGSFVSA-N 0 0 467.606 4.898 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001435176674 1064569911 /nfs/dbraw/zinc/56/99/11/1064569911.db2.gz WMXKTQXAKDIJFT-CALCHBBNSA-N 0 0 452.526 4.979 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2ccc(Br)c(Cl)c2F)cc1 ZINC001435177728 1064570538 /nfs/dbraw/zinc/57/05/38/1064570538.db2.gz ADRRWSPEQFFESL-UHFFFAOYSA-N 0 0 458.711 4.504 20 0 JJADRN Cc1cccc(C(=O)C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c1 ZINC001435177290 1064570614 /nfs/dbraw/zinc/57/06/14/1064570614.db2.gz GYMZMONOJAFWGX-UHFFFAOYSA-N 0 0 451.320 4.509 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCNS(C)(=O)=O)C1 ZINC001359879075 1064570572 /nfs/dbraw/zinc/57/05/72/1064570572.db2.gz OXAAUSWVNWAMGA-MRXNPFEDSA-N 0 0 496.102 4.625 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)C1 ZINC001359879092 1064570754 /nfs/dbraw/zinc/57/07/54/1064570754.db2.gz PGLSJUQTVXMECI-MSOLQXFVSA-N 0 0 460.985 4.980 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2nccc3occc32)cc1)c1ccc(Br)cc1 ZINC001435178672 1064570923 /nfs/dbraw/zinc/57/09/23/1064570923.db2.gz VDQOWVGIJUGUIN-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN O=C(NCCCNC(=O)c1ccc(F)cc1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001435177832 1064571112 /nfs/dbraw/zinc/57/11/12/1064571112.db2.gz IWJIJPGWHABCJO-UHFFFAOYSA-N 0 0 452.338 4.806 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)CCOCC2)C1 ZINC001359879288 1064571677 /nfs/dbraw/zinc/57/16/77/1064571677.db2.gz SLHVDZPCASHQEH-KRWDZBQOSA-N 0 0 464.452 4.735 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001435178752 1064571700 /nfs/dbraw/zinc/57/17/00/1064571700.db2.gz VVWRTHDVDQFNHM-UHFFFAOYSA-N 0 0 450.791 4.648 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001435180131 1064572212 /nfs/dbraw/zinc/57/22/12/1064572212.db2.gz IMACVSLUKWSWPI-UHFFFAOYSA-N 0 0 455.274 4.833 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2COCCO2)C1 ZINC001359879403 1064572283 /nfs/dbraw/zinc/57/22/83/1064572283.db2.gz VGULWJWHXLKDME-DXIQSLLYSA-N 0 0 463.022 4.749 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359879386 1064572427 /nfs/dbraw/zinc/57/24/27/1064572427.db2.gz VCMNLVHHBTZRIO-RBUKOAKNSA-N 0 0 480.650 4.643 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359880005 1064573347 /nfs/dbraw/zinc/57/33/47/1064573347.db2.gz BCHOZTJMNRYFAQ-QGZVFWFLSA-N 0 0 460.504 4.597 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359880004 1064573488 /nfs/dbraw/zinc/57/34/88/1064573488.db2.gz BCHOZTJMNRYFAQ-KRWDZBQOSA-N 0 0 460.504 4.597 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001359880246 1064573776 /nfs/dbraw/zinc/57/37/76/1064573776.db2.gz DGKVANUFCRCKHI-FQEVSTJZSA-N 0 0 467.017 4.525 20 0 JJADRN CC(=O)c1ccc(OC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c(F)c1 ZINC001359880491 1064573794 /nfs/dbraw/zinc/57/37/94/1064573794.db2.gz FDVPRLIPBPUUST-KRWDZBQOSA-N 0 0 450.894 4.947 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2cnn(C)n2)C1 ZINC001359881165 1064575028 /nfs/dbraw/zinc/57/50/28/1064575028.db2.gz MTMXEQCZRRLVEO-INIZCTEOSA-N 0 0 462.429 4.886 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359881449 1064575091 /nfs/dbraw/zinc/57/50/91/1064575091.db2.gz POYBZQNKEKQYMR-WOJBJXKFSA-N 0 0 499.656 4.844 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC001359881847 1064575611 /nfs/dbraw/zinc/57/56/11/1064575611.db2.gz YXKQIQLYFAOCPX-QFIPXVFZSA-N 0 0 458.624 4.729 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001359881541 1064575695 /nfs/dbraw/zinc/57/56/95/1064575695.db2.gz QKBQBAYPUSMQCY-GOSISDBHSA-N 0 0 460.504 4.749 20 0 JJADRN C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435186600 1064576136 /nfs/dbraw/zinc/57/61/36/1064576136.db2.gz WPUORWFNZSRMAJ-IBGZPJMESA-N 0 0 452.514 4.799 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001359881827 1064576336 /nfs/dbraw/zinc/57/63/36/1064576336.db2.gz SVRAYPLSPKZQKD-SFHVURJKSA-N 0 0 462.520 4.540 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCS2)C1 ZINC001359882860 1064577332 /nfs/dbraw/zinc/57/73/32/1064577332.db2.gz DJADSLSTBPUUHH-PWRODBHTSA-N 0 0 493.718 4.745 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)s2)cc1 ZINC001435188211 1064577354 /nfs/dbraw/zinc/57/73/54/1064577354.db2.gz BLMBPHOCJFYUHY-QDKQFYOWSA-N 0 0 471.623 4.951 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001359883598 1064577789 /nfs/dbraw/zinc/57/77/89/1064577789.db2.gz JHUSOMONSGUPNP-BUEREQSYSA-N 0 0 489.705 4.816 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359883833 1064578404 /nfs/dbraw/zinc/57/84/04/1064578404.db2.gz JWIGFJGEVBYVDR-NHCUHLMSSA-N 0 0 489.686 4.763 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)cc2)c1 ZINC001435188782 1064578413 /nfs/dbraw/zinc/57/84/13/1064578413.db2.gz BDYBPWDHYXPSQM-SFHVURJKSA-N 0 0 452.352 4.954 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCCO)C1 ZINC001359884423 1064578673 /nfs/dbraw/zinc/57/86/73/1064578673.db2.gz NVNOAULZJUEAJQ-OAQYLSRUSA-N 0 0 477.694 4.818 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)c21 ZINC001359884285 1064578683 /nfs/dbraw/zinc/57/86/83/1064578683.db2.gz UPHDRHPCTCWLQD-UHFFFAOYSA-N 0 0 453.396 4.565 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001435189570 1064578930 /nfs/dbraw/zinc/57/89/30/1064578930.db2.gz JLGRQOWXXUEPJC-UHFFFAOYSA-N 0 0 458.505 4.815 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 ZINC001359884743 1064579251 /nfs/dbraw/zinc/57/92/51/1064579251.db2.gz QBQAQVJSPWTTSC-CMOCDZPBSA-N 0 0 489.705 4.764 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359884899 1064579611 /nfs/dbraw/zinc/57/96/11/1064579611.db2.gz SDMHRKASOKVGTH-NFBKMPQASA-N 0 0 499.656 4.920 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359885223 1064579756 /nfs/dbraw/zinc/57/97/56/1064579756.db2.gz XHMDFLALNZDEOD-DENIHFKCSA-N 0 0 485.629 4.530 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001435190136 1064579757 /nfs/dbraw/zinc/57/97/57/1064579757.db2.gz GHVGPBDUCXLWOC-KANFNMMFSA-N 0 0 456.505 4.888 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359885225 1064579889 /nfs/dbraw/zinc/57/98/89/1064579889.db2.gz XHMDFLALNZDEOD-SIKLNZKXSA-N 0 0 485.629 4.530 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190359 1064580134 /nfs/dbraw/zinc/58/01/34/1064580134.db2.gz HEQOYPIKAUVDIA-CZUORRHYSA-N 0 0 457.434 4.984 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190804 1064580452 /nfs/dbraw/zinc/58/04/52/1064580452.db2.gz IGIFHMDBSZISPS-VYDXJSESSA-N 0 0 459.509 4.533 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190799 1064580468 /nfs/dbraw/zinc/58/04/68/1064580468.db2.gz IGIFHMDBSZISPS-HLLBOEOZSA-N 0 0 459.509 4.533 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)C1 ZINC001359885529 1064580848 /nfs/dbraw/zinc/58/08/48/1064580848.db2.gz BZSNILGXKXJEQT-ICSRJNTNSA-N 0 0 465.063 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001435191727 1064581071 /nfs/dbraw/zinc/58/10/71/1064581071.db2.gz OECRHGIXIGESDX-IEBWSBKVSA-N 0 0 457.596 4.814 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@H](c4ccccc4C)OC[C@H]3C)CCCC2)c1 ZINC001435192060 1064581181 /nfs/dbraw/zinc/58/11/81/1064581181.db2.gz PUQMWQVXVFWBBK-FYYLOGMGSA-N 0 0 455.620 4.687 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359885914 1064581483 /nfs/dbraw/zinc/58/14/83/1064581483.db2.gz IGXQNENRTKIYBN-OAQYLSRUSA-N 0 0 465.667 4.747 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c2ccccc2Cl)c1 ZINC001435192741 1064581516 /nfs/dbraw/zinc/58/15/16/1064581516.db2.gz RFCDFXWRGOJFCE-CJAUYULYSA-N 0 0 450.966 4.692 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c2ccccc2Cl)c1 ZINC001435192744 1064581703 /nfs/dbraw/zinc/58/17/03/1064581703.db2.gz RFCDFXWRGOJFCE-IQGLISFBSA-N 0 0 450.966 4.692 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(C)(C)O)C1 ZINC001359886155 1064581888 /nfs/dbraw/zinc/58/18/88/1064581888.db2.gz JREDKLDQLOEULS-KRWDZBQOSA-N 0 0 465.436 4.653 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359886930 1064582846 /nfs/dbraw/zinc/58/28/46/1064582846.db2.gz QRQYUPYFAWWAOF-HXUWFJFHSA-N 0 0 471.621 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359886844 1064583071 /nfs/dbraw/zinc/58/30/71/1064583071.db2.gz PSQXEBVBUNGFJG-NRFANRHFSA-N 0 0 488.558 4.715 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@](C)(O)C(C)C)C1 ZINC001359887249 1064583507 /nfs/dbraw/zinc/58/35/07/1064583507.db2.gz UHOLSGKWEZJDJT-FDDCHVKYSA-N 0 0 479.463 4.899 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888152 1064584898 /nfs/dbraw/zinc/58/48/98/1064584898.db2.gz WCMGLKYYRLUGAE-QGZVFWFLSA-N 0 0 454.246 4.945 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001359888277 1064585035 /nfs/dbraw/zinc/58/50/35/1064585035.db2.gz ZDZDHYKKLXTJCS-LJQANCHMSA-N 0 0 455.967 4.561 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C2CCC1(C)CC2 ZINC001359888411 1064585392 /nfs/dbraw/zinc/58/53/92/1064585392.db2.gz CICOWDDMSBOUCB-JHJOLFGTSA-N 0 0 464.452 4.755 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c1 ZINC001435196860 1064585400 /nfs/dbraw/zinc/58/54/00/1064585400.db2.gz BDELIXVGUBOQHV-AWEZNQCLSA-N 0 0 458.356 4.710 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001359888478 1064585605 /nfs/dbraw/zinc/58/56/05/1064585605.db2.gz DBWZJIRKTWWLBL-BXKMTCNYSA-N 0 0 475.012 4.652 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001359888653 1064586428 /nfs/dbraw/zinc/58/64/28/1064586428.db2.gz HQEHVURRBVYKJQ-DEOSSOPVSA-N 0 0 488.995 4.542 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCOCC1 ZINC001359888703 1064586565 /nfs/dbraw/zinc/58/65/65/1064586565.db2.gz ICISDDWWOJIAQE-QHCPKHFHSA-N 0 0 479.463 4.758 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435199481 1064586652 /nfs/dbraw/zinc/58/66/52/1064586652.db2.gz RDAWONCHZRNFCG-UHFFFAOYSA-N 0 0 457.317 4.959 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)ccc1Cl ZINC001435199441 1064586668 /nfs/dbraw/zinc/58/66/68/1064586668.db2.gz MZDVPMVVOUWIKS-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN CSCc1noc(CCC(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC001435199575 1064586767 /nfs/dbraw/zinc/58/67/67/1064586767.db2.gz OPAAHDUZZMFRGL-UHFFFAOYSA-N 0 0 452.458 4.734 20 0 JJADRN CCn1nc(C(C)C)cc1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001435198985 1064586901 /nfs/dbraw/zinc/58/69/01/1064586901.db2.gz UWPXHJOHODBAOL-XMMPIXPASA-N 0 0 453.608 4.566 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001359889106 1064586745 /nfs/dbraw/zinc/58/67/45/1064586745.db2.gz HJLFNAZUQXTWME-PKOBYXMFSA-N 0 0 450.323 4.695 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359889107 1064586974 /nfs/dbraw/zinc/58/69/74/1064586974.db2.gz LFDACVJZSKPAAD-HOYKHHGWSA-N 0 0 493.574 4.951 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](c1noc(C)n1)c1ccccc1OC ZINC001435200666 1064587536 /nfs/dbraw/zinc/58/75/36/1064587536.db2.gz UHHXLTAYWDWDCY-UZLBHIALSA-N 0 0 458.356 4.624 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC ZINC001435200664 1064587581 /nfs/dbraw/zinc/58/75/81/1064587581.db2.gz UHHXLTAYWDWDCY-OXQOHEQNSA-N 0 0 458.356 4.624 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc(-c2ccccc2F)on1 ZINC001435200379 1064587654 /nfs/dbraw/zinc/58/76/54/1064587654.db2.gz YASYOKOTPCZLAA-UHFFFAOYSA-N 0 0 455.287 4.935 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1CC(F)(F)F ZINC001435200375 1064587807 /nfs/dbraw/zinc/58/78/07/1064587807.db2.gz XXVZNOWBZXGVNU-INIZCTEOSA-N 0 0 454.514 4.915 20 0 JJADRN COc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)c(C(F)(F)F)c1 ZINC001359889625 1064587988 /nfs/dbraw/zinc/58/79/88/1064587988.db2.gz MWDKZMRESXNBLI-UHFFFAOYSA-N 0 0 452.654 4.825 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001359890075 1064588872 /nfs/dbraw/zinc/58/88/72/1064588872.db2.gz RJJFUQSPGNKCSE-LTMIRXACSA-N 0 0 450.624 4.686 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001359889999 1064588914 /nfs/dbraw/zinc/58/89/14/1064588914.db2.gz QROXSMYUGUMWLD-KBMIEXCESA-N 0 0 494.055 4.666 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2ccc(Br)cc2C1 ZINC001359890017 1064588932 /nfs/dbraw/zinc/58/89/32/1064588932.db2.gz GWPAJKHQCIZGHM-XMMPIXPASA-N 0 0 486.458 4.796 20 0 JJADRN Cc1nc2ccc(C(=O)Nc3cc(Br)cnc3OCC(F)(F)F)cc2nc1C ZINC001435202131 1064589032 /nfs/dbraw/zinc/58/90/32/1064589032.db2.gz WDMYJLLJTZIWSY-UHFFFAOYSA-N 0 0 455.234 4.598 20 0 JJADRN COc1ccc(-n2c(NC(=O)c3nn(C(C)C)cc3Br)nc3ccccc32)cc1 ZINC001435202632 1064589203 /nfs/dbraw/zinc/58/92/03/1064589203.db2.gz VKFRUNCWCJDEHC-UHFFFAOYSA-N 0 0 454.328 4.826 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(C)CC1 ZINC001359890211 1064589165 /nfs/dbraw/zinc/58/91/65/1064589165.db2.gz IWXAFXXJKYMZLC-YBFPRZSNSA-N 0 0 456.631 4.918 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001359890309 1064589359 /nfs/dbraw/zinc/58/93/59/1064589359.db2.gz RRFNMKJYYAZIGA-ZOCZFRKYSA-N 0 0 452.441 4.848 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCCC[C@H]1c1ccco1)Cc1ccccc1 ZINC001435202966 1064589538 /nfs/dbraw/zinc/58/95/38/1064589538.db2.gz UOLHAVRYASONAX-QFIPXVFZSA-N 0 0 455.599 4.750 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359890366 1064589794 /nfs/dbraw/zinc/58/97/94/1064589794.db2.gz TUQWGRXTKVOICN-VGOFRKELSA-N 0 0 487.998 4.859 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001359890755 1064590171 /nfs/dbraw/zinc/59/01/71/1064590171.db2.gz LWLCOHGRNKAREV-DFBJGRDBSA-N 0 0 471.049 4.903 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001359890757 1064590222 /nfs/dbraw/zinc/59/02/22/1064590222.db2.gz LWLCOHGRNKAREV-UQBPGWFLSA-N 0 0 471.049 4.903 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)c1C ZINC001435205074 1064590860 /nfs/dbraw/zinc/59/08/60/1064590860.db2.gz CNSPRQWLDCMISY-AWEZNQCLSA-N 0 0 454.372 4.745 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)C1 ZINC001359891110 1064591025 /nfs/dbraw/zinc/59/10/25/1064591025.db2.gz YBZOMBXQDUGPIN-YCRPNKLZSA-N 0 0 485.467 4.976 20 0 JJADRN CCCN(C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001435205264 1064591157 /nfs/dbraw/zinc/59/11/57/1064591157.db2.gz CLHCXAPZNUJKEN-YYWHXJBOSA-N 0 0 457.640 4.934 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001359891093 1064591230 /nfs/dbraw/zinc/59/12/30/1064591230.db2.gz XQUBEBDCKFOKIS-RPWUZVMVSA-N 0 0 491.474 4.902 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001435206422 1064591328 /nfs/dbraw/zinc/59/13/28/1064591328.db2.gz MCAYIAIQFZRLFR-MUUNZHRXSA-N 0 0 457.349 4.691 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359891160 1064591264 /nfs/dbraw/zinc/59/12/64/1064591264.db2.gz OVWTYLHWLLLFHS-NXMSCROESA-N 0 0 478.584 4.631 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC001435205506 1064591530 /nfs/dbraw/zinc/59/15/30/1064591530.db2.gz ZEWYYDANFUKMMU-UHFFFAOYSA-N 0 0 457.290 4.996 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359891329 1064591716 /nfs/dbraw/zinc/59/17/16/1064591716.db2.gz QCQYPOCQLUIRRO-JTSKRJEESA-N 0 0 468.520 4.640 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001359891427 1064592206 /nfs/dbraw/zinc/59/22/06/1064592206.db2.gz QUBBINYGCIDHMI-HSZRJFAPSA-N 0 0 491.562 4.584 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359891781 1064592988 /nfs/dbraw/zinc/59/29/88/1064592988.db2.gz XHSMIPVUCDXKBM-GOSISDBHSA-N 0 0 479.469 4.848 20 0 JJADRN CCCN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001435208552 1064593101 /nfs/dbraw/zinc/59/31/01/1064593101.db2.gz QFLQTKURVYXQEF-GNTDJUHISA-N 0 0 457.352 4.874 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359891876 1064593633 /nfs/dbraw/zinc/59/36/33/1064593633.db2.gz YQGBMCKGBBASTQ-VWKPWSFCSA-N 0 0 455.981 4.908 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NC3CCN(c4cccc(F)c4)CC3)s2)cc1OC ZINC001435212863 1064594141 /nfs/dbraw/zinc/59/41/41/1064594141.db2.gz LMFUZGTZBMOAMQ-UHFFFAOYSA-N 0 0 455.555 4.674 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 ZINC001359892788 1064594212 /nfs/dbraw/zinc/59/42/12/1064594212.db2.gz ATQTZRIQSPFGQC-FHAGJXEFSA-N 0 0 495.734 4.522 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001359892722 1064594311 /nfs/dbraw/zinc/59/43/11/1064594311.db2.gz AFWWLRHNNIUJLS-JJEXOMBSSA-N 0 0 477.694 4.815 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)[C@@H]1c1ccc(OC)cc1 ZINC001435213210 1064594462 /nfs/dbraw/zinc/59/44/62/1064594462.db2.gz YJQBBNYNGWRJGE-OFVILXPXSA-N 0 0 451.567 4.599 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CCOCC1 ZINC001359893791 1064594648 /nfs/dbraw/zinc/59/46/48/1064594648.db2.gz IMEYEPWSWJTKCF-SANMLTNESA-N 0 0 467.614 4.650 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359893831 1064594660 /nfs/dbraw/zinc/59/46/60/1064594660.db2.gz JBYAIUAWOZBHKS-FQRUVTKNSA-N 0 0 477.694 4.816 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(CC(C)C)C1CCCC1 ZINC001359894215 1064595199 /nfs/dbraw/zinc/59/51/99/1064595199.db2.gz LZZVVEYDLKQCOM-NDEPHWFRSA-N 0 0 494.684 4.784 20 0 JJADRN CCCN(C(=O)CC1(Cn2cnnn2)CCCCC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435213638 1064595180 /nfs/dbraw/zinc/59/51/80/1064595180.db2.gz QDQIQUSZZBMWEE-XMMPIXPASA-N 0 0 450.562 4.576 20 0 JJADRN 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1064634999 /nfs/dbraw/zinc/63/49/99/1064634999.db2.gz SCPANZQWIBCQPN-CQSZACIVSA-N 0 0 452.732 4.516 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001359915021 1064635763 /nfs/dbraw/zinc/63/57/63/1064635763.db2.gz VKEQBSLIZQGDEH-UHFFFAOYSA-N 0 0 467.017 4.647 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435260004 1064636544 /nfs/dbraw/zinc/63/65/44/1064636544.db2.gz DPBKILNOHFBODX-HKVDKPERSA-N 0 0 458.961 4.632 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1c(Cl)cccc1Cl ZINC001359916260 1064637473 /nfs/dbraw/zinc/63/74/73/1064637473.db2.gz PHKPQHKXYPJOEM-AWEZNQCLSA-N 0 0 455.407 4.748 20 0 JJADRN CC(C)n1cc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)ccc2n1 ZINC001435260782 1064637642 /nfs/dbraw/zinc/63/76/42/1064637642.db2.gz MHYXAXWNFXDOSN-UHFFFAOYSA-N 0 0 454.596 4.823 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001359916784 1064638244 /nfs/dbraw/zinc/63/82/44/1064638244.db2.gz INKICVDEDAZXEU-UHFFFAOYSA-N 0 0 454.420 4.583 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)no1 ZINC001435263049 1064639478 /nfs/dbraw/zinc/63/94/78/1064639478.db2.gz GZWYRHKNYLZZKU-PBHICJAKSA-N 0 0 457.577 4.788 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001435263911 1064639767 /nfs/dbraw/zinc/63/97/67/1064639767.db2.gz FJPUEWKYSJPYNO-UHFFFAOYSA-N 0 0 455.889 4.539 20 0 JJADRN COc1cc(C(=O)N[C@H](Cc2c(F)cccc2Cl)c2ccccc2Br)on1 ZINC001435264302 1064640929 /nfs/dbraw/zinc/64/09/29/1064640929.db2.gz PVDDMCNAHIFJNV-MRXNPFEDSA-N 0 0 453.695 4.952 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001435264207 1064640947 /nfs/dbraw/zinc/64/09/47/1064640947.db2.gz HNLYJAZMQJDIFU-HRFSGMKKSA-N 0 0 450.579 4.590 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001435264195 1064640998 /nfs/dbraw/zinc/64/09/98/1064640998.db2.gz GZHRSFHDZFDHBO-UHFFFAOYSA-N 0 0 459.775 4.925 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)nn1-c1ccccc1F ZINC001435264402 1064641613 /nfs/dbraw/zinc/64/16/13/1064641613.db2.gz CXKNIJNEANKIHW-UHFFFAOYSA-N 0 0 452.530 4.725 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc2[nH]ccc21 ZINC001359918522 1064641761 /nfs/dbraw/zinc/64/17/61/1064641761.db2.gz JOVKOKWBKMRWPJ-QHCPKHFHSA-N 0 0 496.656 4.793 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1csc(CCc2ccccc2)n1 ZINC001359918600 1064641887 /nfs/dbraw/zinc/64/18/87/1064641887.db2.gz LCRPOIFOCZOWGM-OAQYLSRUSA-N 0 0 453.656 4.944 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)C(F)(F)c1ccc(Br)cc1 ZINC001435265124 1064642618 /nfs/dbraw/zinc/64/26/18/1064642618.db2.gz IYDGZPVQOHDYST-OAHLLOKOSA-N 0 0 457.702 4.506 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001359919818 1064644106 /nfs/dbraw/zinc/64/41/06/1064644106.db2.gz COXBLQLBAUXXDV-UHFFFAOYSA-N 0 0 455.633 4.958 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC001359920210 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AKXSZIUCMILBEO-DYVFJYSZSA-N 0 0 459.812 4.939 20 0 JJADRN CC(C)CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001359921403 1064646963 /nfs/dbraw/zinc/64/69/63/1064646963.db2.gz HMNYNQODKYCPMT-UHFFFAOYSA-N 0 0 454.619 4.630 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001435269099 1064647601 /nfs/dbraw/zinc/64/76/01/1064647601.db2.gz DAWFBWREJBXEPS-JPYJTQIMSA-N 0 0 452.599 4.723 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001435269876 1064648449 /nfs/dbraw/zinc/64/84/49/1064648449.db2.gz LKTBQCAJGSGBEA-IBGZPJMESA-N 0 0 453.004 4.757 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)nc1C ZINC001435270698 1064648499 /nfs/dbraw/zinc/64/84/99/1064648499.db2.gz NOALFYZCMGQDDL-UHFFFAOYSA-N 0 0 459.384 4.961 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359921631 1064648624 /nfs/dbraw/zinc/64/86/24/1064648624.db2.gz PEJCWHUOJSXFDS-CZYKHXBRSA-N 0 0 477.694 4.982 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CC(C)CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(Br)cn1)C1CC1 ZINC001359926290 1064657877 /nfs/dbraw/zinc/65/78/77/1064657877.db2.gz IXAAXPOSEQSPLE-WOJBJXKFSA-N 0 0 493.494 4.871 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c2ccc(OC)cc2)n1 ZINC001435279849 1064658083 /nfs/dbraw/zinc/65/80/83/1064658083.db2.gz ZPKILJSBRUICDD-NRFANRHFSA-N 0 0 452.532 4.614 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435281173 1064658785 /nfs/dbraw/zinc/65/87/85/1064658785.db2.gz VDXAEFZFBJVDEM-WOJBJXKFSA-N 0 0 457.412 4.980 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435281166 1064658855 /nfs/dbraw/zinc/65/88/55/1064658855.db2.gz VDXAEFZFBJVDEM-PMACEKPBSA-N 0 0 457.412 4.980 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001435280938 1064658908 /nfs/dbraw/zinc/65/89/08/1064658908.db2.gz SIYUDNVKHIYNKB-XMMPIXPASA-N 0 0 456.652 4.582 20 0 JJADRN CO[C@@H](CNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)(C)C ZINC001435282372 1064659556 /nfs/dbraw/zinc/65/95/56/1064659556.db2.gz FHBVBMMPLUBZCA-YOEHRIQHSA-N 0 0 459.637 4.863 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(OC)c3c(c2)OCCO3)c2ccccc2Cl)c(C)c1 ZINC001435282792 1064660641 /nfs/dbraw/zinc/66/06/41/1064660641.db2.gz AJLNDUAEFOWXJC-HSZRJFAPSA-N 0 0 453.922 4.956 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1)ccc2Br ZINC001435282848 1064660688 /nfs/dbraw/zinc/66/06/88/1064660688.db2.gz BKSZZOMLVKEMSI-ZDUSSCGKSA-N 0 0 450.333 4.893 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(F)c1 ZINC001435282898 1064660693 /nfs/dbraw/zinc/66/06/93/1064660693.db2.gz LDTNKNVLGAFCGM-VGSWGCGISA-N 0 0 452.507 4.715 20 0 JJADRN C[C@](Cc1cccc(Br)c1)(NC(=O)Cc1csc2nccn12)c1ccccc1 ZINC001435284337 1064662087 /nfs/dbraw/zinc/66/20/87/1064662087.db2.gz SSOYONWCKFBCFB-JOCHJYFZSA-N 0 0 454.393 4.975 20 0 JJADRN 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/nfs/dbraw/zinc/66/88/32/1064668832.db2.gz FUKLLRXDWGHWSL-GFCCVEGCSA-N 0 0 454.777 4.606 20 0 JJADRN C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)Oc1ccc(Cl)cc1 ZINC001435294590 1064670162 /nfs/dbraw/zinc/67/01/62/1064670162.db2.gz RDCOVEDSVUPSSQ-YWZLYKJASA-N 0 0 451.792 4.823 20 0 JJADRN C[C@@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)Oc1ccc(Br)cc1 ZINC001435294308 1064670227 /nfs/dbraw/zinc/67/02/27/1064670227.db2.gz NVVMCRJAVKBAPC-KRWDZBQOSA-N 0 0 455.352 4.549 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)Oc1ccc(Cl)cc1 ZINC001435294586 1064670319 /nfs/dbraw/zinc/67/03/19/1064670319.db2.gz RDCOVEDSVUPSSQ-MGPUTAFESA-N 0 0 451.792 4.823 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC001359932605 1064670585 /nfs/dbraw/zinc/67/05/85/1064670585.db2.gz ZGWULANHYRSMRO-UHFFFAOYSA-N 0 0 457.368 4.545 20 0 JJADRN Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)c2nccn2c1 ZINC001359932491 1064670610 /nfs/dbraw/zinc/67/06/10/1064670610.db2.gz VIOBOKSLXMVQKP-UHFFFAOYSA-N 0 0 452.864 4.804 20 0 JJADRN O=C(CCc1cc(Br)cs1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001435295185 1064671341 /nfs/dbraw/zinc/67/13/41/1064671341.db2.gz HJSLNZKJDGKLLK-UHFFFAOYSA-N 0 0 452.765 4.588 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001359932841 1064671486 /nfs/dbraw/zinc/67/14/86/1064671486.db2.gz GYQQPRXNEWHZMW-ZIAGYGMSSA-N 0 0 491.883 4.665 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359932855 1064672051 /nfs/dbraw/zinc/67/20/51/1064672051.db2.gz HFCUFVYLNILRCN-QGZVFWFLSA-N 0 0 457.516 4.678 20 0 JJADRN C[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(F)cc1F ZINC001435296682 1064672788 /nfs/dbraw/zinc/67/27/88/1064672788.db2.gz HIUGGUZNUXRFFX-OAHLLOKOSA-N 0 0 454.502 4.818 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359933180 1064672968 /nfs/dbraw/zinc/67/29/68/1064672968.db2.gz OLPOPGWOGZIMQZ-OAHLLOKOSA-N 0 0 481.439 4.527 20 0 JJADRN CC(C)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001359932994 1064673030 /nfs/dbraw/zinc/67/30/30/1064673030.db2.gz ACZHRKPKFAQDEC-OPAMFIHVSA-N 0 0 481.410 4.667 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001435296105 1064672995 /nfs/dbraw/zinc/67/29/95/1064672995.db2.gz AQRNVKKESOZONH-FQEVSTJZSA-N 0 0 452.555 4.720 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccccc1-c1ccccc1C(=O)OC ZINC001435297581 1064673521 /nfs/dbraw/zinc/67/35/21/1064673521.db2.gz OLWIMMGERKHVFE-UHFFFAOYSA-N 0 0 457.574 4.914 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359933345 1064673770 /nfs/dbraw/zinc/67/37/70/1064673770.db2.gz QCOASJZRGRVORP-UHFFFAOYSA-N 0 0 495.466 4.965 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435298497 1064674432 /nfs/dbraw/zinc/67/44/32/1064674432.db2.gz XDZYAJAMIPCCCC-ZJSXRUAMSA-N 0 0 456.428 4.887 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC001435299565 1064674503 /nfs/dbraw/zinc/67/45/03/1064674503.db2.gz BOASJBNGUSTJFP-IBGZPJMESA-N 0 0 453.516 4.621 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001359933510 1064674475 /nfs/dbraw/zinc/67/44/75/1064674475.db2.gz JVOVJEKIMJDJDC-INIZCTEOSA-N 0 0 462.019 4.641 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359933535 1064674620 /nfs/dbraw/zinc/67/46/20/1064674620.db2.gz SSPVIXWTPCKUDU-LJQANCHMSA-N 0 0 461.582 4.518 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N1CC[C@H](COCc2ccccc2)C1 ZINC001435299811 1064675146 /nfs/dbraw/zinc/67/51/46/1064675146.db2.gz KNCNRMNVVQPGSJ-HNNXBMFYSA-N 0 0 455.723 4.624 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001435300253 1064675244 /nfs/dbraw/zinc/67/52/44/1064675244.db2.gz DJFRSUMJWHICEC-LBPRGKRZSA-N 0 0 451.695 4.621 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2nccs2)CC1 ZINC001359933721 1064675394 /nfs/dbraw/zinc/67/53/94/1064675394.db2.gz WOGSYZPGVRATOG-UHFFFAOYSA-N 0 0 463.449 4.933 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001359933678 1064675548 /nfs/dbraw/zinc/67/55/48/1064675548.db2.gz VYOYSYPZUFTQBW-QGZVFWFLSA-N 0 0 494.865 4.998 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC001435301286 1064676022 /nfs/dbraw/zinc/67/60/22/1064676022.db2.gz MGGQVHXTZJHWLQ-MRVPVSSYSA-N 0 0 457.699 4.704 20 0 JJADRN CC(C)CCn1c(-c2cc(F)ccc2Br)nnc1N(Cc1ccnn1C)C1CC1 ZINC001359933756 1064676220 /nfs/dbraw/zinc/67/62/20/1064676220.db2.gz XHXZUVRGNODZHC-UHFFFAOYSA-N 0 0 461.383 4.795 20 0 JJADRN CC(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001359933837 1064676290 /nfs/dbraw/zinc/67/62/90/1064676290.db2.gz YQFCLYZUIOUMBG-QGZVFWFLSA-N 0 0 462.417 4.788 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001435302135 1064677038 /nfs/dbraw/zinc/67/70/38/1064677038.db2.gz FHIINNZOCMOVSE-JXFKEZNVSA-N 0 0 456.999 4.699 20 0 JJADRN CC(C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001359933916 1064677022 /nfs/dbraw/zinc/67/70/22/1064677022.db2.gz OTNVKXSNTMEWRK-UHFFFAOYSA-N 0 0 492.437 4.874 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001359934140 1064677123 /nfs/dbraw/zinc/67/71/23/1064677123.db2.gz XNTTXAGMWLUDHR-CALCHBBNSA-N 0 0 454.446 4.843 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC001435302239 1064677855 /nfs/dbraw/zinc/67/78/55/1064677855.db2.gz ROVWQDNZLRYJFQ-UHFFFAOYSA-N 0 0 455.502 4.996 20 0 JJADRN CC(C)(C)c1cc(NC(=O)C2=Cc3cc(Br)ccc3OC2)n(-c2ccccn2)n1 ZINC001359934431 1064677843 /nfs/dbraw/zinc/67/78/43/1064677843.db2.gz HQTMHYASHKDYAW-UHFFFAOYSA-N 0 0 453.340 4.742 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1nc(Br)ccc1Br ZINC001359934543 1064677854 /nfs/dbraw/zinc/67/78/54/1064677854.db2.gz KZGGTNYMULKIMX-CQSZACIVSA-N 0 0 454.162 4.983 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001359934356 1064677967 /nfs/dbraw/zinc/67/79/67/1064677967.db2.gz FGNLPXORPOGDGK-XXBNENTESA-N 0 0 456.608 4.626 20 0 JJADRN Cc1nc2cc(C(=O)NCCc3nc(C(F)(F)F)cs3)ccc2n1Cc1ccsc1 ZINC001435303943 1064678377 /nfs/dbraw/zinc/67/83/77/1064678377.db2.gz YDLNBVOMKKFMCW-UHFFFAOYSA-N 0 0 450.511 4.902 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC001359935272 1064678509 /nfs/dbraw/zinc/67/85/09/1064678509.db2.gz DVNGFKDFMIPGDF-IBGZPJMESA-N 0 0 458.580 4.939 20 0 JJADRN CCCN(C(=O)c1cc(NC(=O)OCC)ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359935749 1064679373 /nfs/dbraw/zinc/67/93/73/1064679373.db2.gz LJKMMGIDSLFIQH-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN CC(C)CCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001359936368 1064679995 /nfs/dbraw/zinc/67/99/95/1064679995.db2.gz AIRUNLTUXOGWQY-SFHVURJKSA-N 0 0 455.582 4.520 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)Oc3ccc(OC)cc32)nnc1-c1ccc(Cl)cc1 ZINC001435305839 1064680137 /nfs/dbraw/zinc/68/01/37/1064680137.db2.gz HTHWKCFUGDLJEI-AWEZNQCLSA-N 0 0 458.971 4.533 20 0 JJADRN CC(C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359937335 1064681035 /nfs/dbraw/zinc/68/10/35/1064681035.db2.gz VQWJLASPAIWWEJ-GOSISDBHSA-N 0 0 452.603 4.918 20 0 JJADRN CCCc1nc(C(=O)N2CCN([C@@H](CC)c3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001435307564 1064680980 /nfs/dbraw/zinc/68/09/80/1064680980.db2.gz HNZMAMCUUFBOJM-NRFANRHFSA-N 0 0 452.002 4.782 20 0 JJADRN CCCc1nc(C(=O)N2CCN([C@H](CC)c3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001435307565 1064680990 /nfs/dbraw/zinc/68/09/90/1064680990.db2.gz HNZMAMCUUFBOJM-OAQYLSRUSA-N 0 0 452.002 4.782 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001435306923 1064681015 /nfs/dbraw/zinc/68/10/15/1064681015.db2.gz BAXDBPIYDNWWQO-FQEVSTJZSA-N 0 0 456.999 4.778 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359937521 1064681054 /nfs/dbraw/zinc/68/10/54/1064681054.db2.gz CHLILHLQEIWQNB-IWRQBJDLSA-N 0 0 462.638 4.626 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c(I)cc1Cl ZINC001435308281 1064681511 /nfs/dbraw/zinc/68/15/11/1064681511.db2.gz XZZRFHWQLOONEG-GFCCVEGCSA-N 0 0 454.739 4.986 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938380 1064681515 /nfs/dbraw/zinc/68/15/15/1064681515.db2.gz MMYJMTACJJIAPT-UUOWRZLLSA-N 0 0 454.615 4.675 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939157 1064682497 /nfs/dbraw/zinc/68/24/97/1064682497.db2.gz UOHDIAMGAFMZQL-NFQMXDRXSA-N 0 0 458.606 4.937 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)n1 ZINC001435308799 1064682538 /nfs/dbraw/zinc/68/25/38/1064682538.db2.gz OZXVHNSIJGHTPZ-OAQYLSRUSA-N 0 0 456.999 4.613 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC001435308487 1064682696 /nfs/dbraw/zinc/68/26/96/1064682696.db2.gz CDRQGTWOLKDTRA-SFHVURJKSA-N 0 0 453.327 4.960 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)c2)o1 ZINC001359939658 1064683209 /nfs/dbraw/zinc/68/32/09/1064683209.db2.gz ZOTBCSLMMLBSBK-UHFFFAOYSA-N 0 0 457.486 4.535 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001359939734 1064683353 /nfs/dbraw/zinc/68/33/53/1064683353.db2.gz WIZOYWGUSUXTML-FPOVZHCZSA-N 0 0 485.677 4.686 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2cc(F)c(F)cc2I)c1 ZINC001435310648 1064684134 /nfs/dbraw/zinc/68/41/34/1064684134.db2.gz FEQSWDRKXJJDQN-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001359939869 1064684077 /nfs/dbraw/zinc/68/40/77/1064684077.db2.gz ZBHPHFZERMQTMA-MSOLQXFVSA-N 0 0 454.644 4.612 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001359940077 1064684111 /nfs/dbraw/zinc/68/41/11/1064684111.db2.gz FIGLKEROIIXINO-JOCHJYFZSA-N 0 0 487.620 4.941 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001359939872 1064684221 /nfs/dbraw/zinc/68/42/21/1064684221.db2.gz ZBHPHFZERMQTMA-ZWKOTPCHSA-N 0 0 454.644 4.612 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)CSc2cccc3cccc(Cl)c32)cc1 ZINC001435310685 1064684213 /nfs/dbraw/zinc/68/42/13/1064684213.db2.gz GJDIKSMGFZHZQD-UHFFFAOYSA-N 0 0 457.979 4.886 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001359940507 1064684931 /nfs/dbraw/zinc/68/49/31/1064684931.db2.gz LDTQKYXWSDLCSN-RTWAWAEBSA-N 0 0 461.651 4.587 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc1 ZINC001359940550 1064684960 /nfs/dbraw/zinc/68/49/60/1064684960.db2.gz IFPYGLVMUPTGPD-MOPGFXCFSA-N 0 0 453.560 4.775 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NCc2ccccc2OC(C)(C)C)[C@@H]1c1ccc(OC)cc1 ZINC001435311449 1064685195 /nfs/dbraw/zinc/68/51/95/1064685195.db2.gz NQBIPWBQCQQCSY-RDGATRHJSA-N 0 0 452.595 4.879 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001435311072 1064685210 /nfs/dbraw/zinc/68/52/10/1064685210.db2.gz WMYQYQASJLNXQZ-QGZVFWFLSA-N 0 0 451.954 4.635 20 0 JJADRN CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001359941486 1064685702 /nfs/dbraw/zinc/68/57/02/1064685702.db2.gz UONRJJSPGCXUHX-UHFFFAOYSA-N 0 0 458.031 4.592 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC001359940926 1064685737 /nfs/dbraw/zinc/68/57/37/1064685737.db2.gz LASZFZIDWLQPJU-GOSISDBHSA-N 0 0 458.605 4.639 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)o1 ZINC001435313481 1064685824 /nfs/dbraw/zinc/68/58/24/1064685824.db2.gz PXUCMTXVBUVZNU-YDHSSHFGSA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001359943327 1064688337 /nfs/dbraw/zinc/68/83/37/1064688337.db2.gz WVVFBUPVRHUPHQ-UHFFFAOYSA-N 0 0 455.603 4.514 20 0 JJADRN CC(C)CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359943675 1064688363 /nfs/dbraw/zinc/68/83/63/1064688363.db2.gz DSWWTOAPJUBLMA-NRFANRHFSA-N 0 0 471.646 4.687 20 0 JJADRN CC(C)CCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001359944533 1064691686 /nfs/dbraw/zinc/69/16/86/1064691686.db2.gz WBIOEISDUVPIBY-HXUWFJFHSA-N 0 0 471.621 4.517 20 0 JJADRN Cc1cccc2cc(C(=O)N3CCN(C(=O)Cc4cccc(Cl)c4)[C@H](C)C3)c(Cl)nc12 ZINC001435319381 1064692772 /nfs/dbraw/zinc/69/27/72/1064692772.db2.gz BJZXPSQQDPOFRG-MRXNPFEDSA-N 0 0 456.373 4.766 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)CC2=O)cc1 ZINC001359945900 1064693407 /nfs/dbraw/zinc/69/34/07/1064693407.db2.gz TYPHYOHYDWROQT-DEOSSOPVSA-N 0 0 459.590 4.870 20 0 JJADRN CCCCSCC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001359945486 1064693476 /nfs/dbraw/zinc/69/34/76/1064693476.db2.gz OXAFWVHCIRNMLP-LJQANCHMSA-N 0 0 450.601 4.715 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001435320126 1064693725 /nfs/dbraw/zinc/69/37/25/1064693725.db2.gz XZFGWYAGKVGPPB-CVEARBPZSA-N 0 0 454.514 4.617 20 0 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COc1ccc(C(C)(C)CNC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)cc1OC ZINC001359947572 1064697146 /nfs/dbraw/zinc/69/71/46/1064697146.db2.gz AKPQJWXNAWCELF-UHFFFAOYSA-N 0 0 451.542 4.533 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001435325151 1064697996 /nfs/dbraw/zinc/69/79/96/1064697996.db2.gz VHYZFQWEZAHCKL-NDEPHWFRSA-N 0 0 459.365 4.646 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001435326341 1064698737 /nfs/dbraw/zinc/69/87/37/1064698737.db2.gz WMLSIDQEZZKFMQ-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN Cc1sc2ncc(C(=O)N[C@@H](c3ccc(F)c(C)c3)c3ccccc3Cl)c(=O)n2c1C ZINC001435326424 1064698816 /nfs/dbraw/zinc/69/88/16/1064698816.db2.gz YADHEUNPHDNGDZ-FQEVSTJZSA-N 0 0 455.942 4.993 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@H]2CCCc3ccccc32)c2ccc(F)cc2)c1 ZINC001435328821 1064700267 /nfs/dbraw/zinc/70/02/67/1064700267.db2.gz MNNBNRYNLZOUPI-FQRUVTKNSA-N 0 0 451.563 4.945 20 0 JJADRN COc1ccccc1/C(C)=C\C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 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CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C2CCCCC2)cc1 ZINC001359950860 1064707162 /nfs/dbraw/zinc/70/71/62/1064707162.db2.gz PGCULWXOKRPAOQ-VXKWHMMOSA-N 0 0 497.684 4.775 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCN2CCOC[C@H]2C)cc1 ZINC001359950863 1064707251 /nfs/dbraw/zinc/70/72/51/1064707251.db2.gz PIVCQQLICFOANH-HSZRJFAPSA-N 0 0 483.701 4.963 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)O[C@@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc21 ZINC001435337233 1064708035 /nfs/dbraw/zinc/70/80/35/1064708035.db2.gz ZCKBYXSOZFQSST-QFIPXVFZSA-N 0 0 457.452 4.859 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cnn1C1CCCC1 ZINC001359951303 1064709242 /nfs/dbraw/zinc/70/92/42/1064709242.db2.gz VNVZLADASWZTTN-UHFFFAOYSA-N 0 0 454.615 4.948 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001435339417 1064709373 /nfs/dbraw/zinc/70/93/73/1064709373.db2.gz GDEBBKAFFXEDCZ-UXHICEINSA-N 0 0 480.483 4.796 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001359951483 1064709771 /nfs/dbraw/zinc/70/97/71/1064709771.db2.gz XJYKIHMMABVFQY-CNNODRBYSA-N 0 0 485.698 4.615 20 0 JJADRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001359951450 1064709828 /nfs/dbraw/zinc/70/98/28/1064709828.db2.gz ZEBPLSIXXYZUGI-UHFFFAOYSA-N 0 0 457.412 4.657 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001435343111 1064710997 /nfs/dbraw/zinc/71/09/97/1064710997.db2.gz MZWHBAQNGBLGIP-KRWDZBQOSA-N 0 0 458.436 4.756 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC001435342063 1064711156 /nfs/dbraw/zinc/71/11/56/1064711156.db2.gz RASBEACQROUCBE-UHFFFAOYSA-N 0 0 454.876 4.944 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ccn(C)n2)cc1 ZINC001359951746 1064711201 /nfs/dbraw/zinc/71/12/01/1064711201.db2.gz DWOFNRLQXATGBN-XMMPIXPASA-N 0 0 480.657 4.936 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@]2(C)CCCO2)cc1 ZINC001359951802 1064711220 /nfs/dbraw/zinc/71/12/20/1064711220.db2.gz GJFZPEPHNOUAFJ-NDEPHWFRSA-N 0 0 497.684 4.634 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001359951795 1064711312 /nfs/dbraw/zinc/71/13/12/1064711312.db2.gz FYBUAOZUWKTZAD-MHZLTWQESA-N 0 0 499.656 4.512 20 0 JJADRN CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(-c2ccccc2)cc1 ZINC001435342525 1064711646 /nfs/dbraw/zinc/71/16/46/1064711646.db2.gz XYBNRWMZCMLLBH-UHFFFAOYSA-N 0 0 454.617 4.795 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCc2ccsc2)cc1 ZINC001359951830 1064711930 /nfs/dbraw/zinc/71/19/30/1064711930.db2.gz GZKXLUKILMLDPD-UHFFFAOYSA-N 0 0 495.693 4.979 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)Cc3ccc(Cl)cc3Br)cc2)n1 ZINC001435343731 1064712180 /nfs/dbraw/zinc/71/21/80/1064712180.db2.gz IGXIJXZZGSQVLG-UHFFFAOYSA-N 0 0 451.704 4.775 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001359951949 1064712197 /nfs/dbraw/zinc/71/21/97/1064712197.db2.gz KCKUAGHQLLYJMV-OBTVHEKISA-N 0 0 470.658 4.640 20 0 JJADRN C[C@@H]1CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2N(C)C1=O ZINC001435343216 1064712410 /nfs/dbraw/zinc/71/24/10/1064712410.db2.gz BVGFTJYRUVOAMU-QUCCMNQESA-N 0 0 451.567 4.678 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001435345251 1064713390 /nfs/dbraw/zinc/71/33/90/1064713390.db2.gz JWJKJZUQMGADRT-RDTXWAMCSA-N 0 0 450.988 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCOC(C)C)cc1 ZINC001359952164 1064713915 /nfs/dbraw/zinc/71/39/15/1064713915.db2.gz OEQRTMXTTUYSHG-UPVQGACJSA-N 0 0 456.631 4.800 20 0 JJADRN O=C(NCCCNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccccc1F ZINC001435345681 1064714018 /nfs/dbraw/zinc/71/40/18/1064714018.db2.gz IRNUKGHCLOMWBH-JOCHJYFZSA-N 0 0 458.505 4.874 20 0 JJADRN COc1cc(CNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2n1 ZINC001435347094 1064714410 /nfs/dbraw/zinc/71/44/10/1064714410.db2.gz UWMXGOSRUBLQQQ-UHFFFAOYSA-N 0 0 453.542 4.546 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2CC2(NC(=O)OC(C)(C)C)COC2)cc1 ZINC001359952421 1064715258 /nfs/dbraw/zinc/71/52/58/1064715258.db2.gz VTHYBYQDLACNFB-FQEVSTJZSA-N 0 0 499.656 4.652 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001435349131 1064715667 /nfs/dbraw/zinc/71/56/67/1064715667.db2.gz KAANFWZZQNNIOV-LBPRGKRZSA-N 0 0 458.396 4.910 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)C12CCCC2 ZINC001435349381 1064715956 /nfs/dbraw/zinc/71/59/56/1064715956.db2.gz KUYITCHAFPADEX-FGZHOGPDSA-N 0 0 459.633 4.709 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)ccn2)c1C ZINC001435349423 1064716042 /nfs/dbraw/zinc/71/60/42/1064716042.db2.gz LVELLBWGQNTPBT-XMMPIXPASA-N 0 0 457.574 4.588 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)ccn2)c1C ZINC001435349408 1064716127 /nfs/dbraw/zinc/71/61/27/1064716127.db2.gz LVELLBWGQNTPBT-DEOSSOPVSA-N 0 0 457.574 4.588 20 0 JJADRN COC(=O)COc1cccc(C(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1 ZINC001435349846 1064716592 /nfs/dbraw/zinc/71/65/92/1064716592.db2.gz DSPTWKKWDMGLFK-HSZRJFAPSA-N 0 0 457.498 4.758 20 0 JJADRN Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(-c2ccccc2Cl)n1 ZINC001359953618 1064717190 /nfs/dbraw/zinc/71/71/90/1064717190.db2.gz ONTISTPFTVRTKN-QHCPKHFHSA-N 0 0 458.949 4.720 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)c2cccnc2c1C ZINC001435350822 1064717183 /nfs/dbraw/zinc/71/71/83/1064717183.db2.gz LFYNOWYNFKWHFJ-HXUWFJFHSA-N 0 0 452.352 4.744 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC001359953459 1064717442 /nfs/dbraw/zinc/71/74/42/1064717442.db2.gz JBNSHKCHVGRMBV-UHFFFAOYSA-N 0 0 451.398 4.750 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001359953464 1064717458 /nfs/dbraw/zinc/71/74/58/1064717458.db2.gz JEJJYLAZKCUIPH-DVECYGJZSA-N 0 0 455.562 4.691 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Cc2sc(SC3CCCC3)nc2C)n1 ZINC001435351252 1064717417 /nfs/dbraw/zinc/71/74/17/1064717417.db2.gz YXWJYVZDXCGAGE-CQSZACIVSA-N 0 0 458.609 4.965 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)C)n2Cc2cn(C)nc2-c2ccccc2)CC1 ZINC001359954210 1064718872 /nfs/dbraw/zinc/71/88/72/1064718872.db2.gz GPWFYHFNRUQEPT-UHFFFAOYSA-N 0 0 450.631 4.882 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001359954223 1064718899 /nfs/dbraw/zinc/71/88/99/1064718899.db2.gz CVMYYMPDQCWSEZ-BESOESOGSA-N 0 0 470.658 4.638 20 0 JJADRN COc1ccc(O[C@H](C)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC001435353733 1064718918 /nfs/dbraw/zinc/71/89/18/1064718918.db2.gz WXYVQAGHCTXQJN-OAHLLOKOSA-N 0 0 453.539 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001359954240 1064719099 /nfs/dbraw/zinc/71/90/99/1064719099.db2.gz CYKXHKFYPTUFPF-ILJOYBHNSA-N 0 0 470.658 4.781 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001359954347 1064719550 /nfs/dbraw/zinc/71/95/50/1064719550.db2.gz HSNWEQPFRRFXHA-WJOKGBTCSA-N 0 0 465.063 4.541 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001359954367 1064719567 /nfs/dbraw/zinc/71/95/67/1064719567.db2.gz IKGCWWUCVPHGAW-KWALNSLNSA-N 0 0 456.631 4.535 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC001435354030 1064719533 /nfs/dbraw/zinc/71/95/33/1064719533.db2.gz PLUPRBQHQKLXFB-INIZCTEOSA-N 0 0 451.995 4.796 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC001435354741 1064720042 /nfs/dbraw/zinc/72/00/42/1064720042.db2.gz FSTLFDADOLJXNR-LBPRGKRZSA-N 0 0 455.274 4.666 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2C[C@@H]2C)CC1 ZINC001359954420 1064720013 /nfs/dbraw/zinc/72/00/13/1064720013.db2.gz JQFORPRLWIFWTK-DLBZAZTESA-N 0 0 464.452 4.734 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)Oc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC001435355769 1064720477 /nfs/dbraw/zinc/72/04/77/1064720477.db2.gz DXRSOUDYTOOZLS-UHFFFAOYSA-N 0 0 453.926 4.692 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001359954744 1064720878 /nfs/dbraw/zinc/72/08/78/1064720878.db2.gz ORYCWRUERUVESW-QFIPXVFZSA-N 0 0 495.089 4.597 20 0 JJADRN O=C(Nc1ccnn1-c1ccccc1)c1cc(I)cc(C(F)(F)F)c1 ZINC001435356704 1064720981 /nfs/dbraw/zinc/72/09/81/1064720981.db2.gz TWQLORWCYNCELN-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@]2(O)CCC[C@H]2C)cc1 ZINC001359954722 1064721068 /nfs/dbraw/zinc/72/10/68/1064721068.db2.gz LDCFVCOOHFFIGV-UMEGOILYSA-N 0 0 458.672 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCC2(C)C)cc1 ZINC001359954830 1064721493 /nfs/dbraw/zinc/72/14/93/1064721493.db2.gz LXSWPUGCCNPCMS-NRFANRHFSA-N 0 0 453.631 4.523 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccncc2)CC1 ZINC001359954762 1064721687 /nfs/dbraw/zinc/72/16/87/1064721687.db2.gz PQXMUGDIUIDPEY-UHFFFAOYSA-N 0 0 487.446 4.705 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1)S(=O)(=O)C1CCCCC1 ZINC001435357305 1064721716 /nfs/dbraw/zinc/72/17/16/1064721716.db2.gz PINKQCQGCHAODB-HXUWFJFHSA-N 0 0 453.601 4.735 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 ZINC001359954811 1064721798 /nfs/dbraw/zinc/72/17/98/1064721798.db2.gz QUMFUHXYKSOYNK-RBBKRZOGSA-N 0 0 472.605 4.934 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccn2C(F)F)cc1 ZINC001359954841 1064722226 /nfs/dbraw/zinc/72/22/26/1064722226.db2.gz RDVQYSZXQKMENF-HDICACEKSA-N 0 0 474.556 4.624 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCC(=O)NC(C)C)cc1 ZINC001359955024 1064722576 /nfs/dbraw/zinc/72/25/76/1064722576.db2.gz PNEARRAVJAXUOW-PMACEKPBSA-N 0 0 473.687 4.615 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2cccc(F)c2)no1 ZINC001435358184 1064722754 /nfs/dbraw/zinc/72/27/54/1064722754.db2.gz RIDWLUGFNVKVIB-GFCCVEGCSA-N 0 0 455.902 4.961 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cc(Cl)c(C)cc3Br)n2)c1 ZINC001435358987 1064723141 /nfs/dbraw/zinc/72/31/41/1064723141.db2.gz XFHHLKYBWUVJDC-NSHDSACASA-N 0 0 450.720 4.961 20 0 JJADRN C[C@@H](OC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2n1C ZINC001435359646 1064723176 /nfs/dbraw/zinc/72/31/76/1064723176.db2.gz BCLBFMZYCBXVPG-GYCJOSAFSA-N 0 0 455.942 4.880 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC2(O)CCC2)cc1 ZINC001359955165 1064723212 /nfs/dbraw/zinc/72/32/12/1064723212.db2.gz RJAUVZXUZWRHFE-JOCHJYFZSA-N 0 0 458.672 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CC(C)C)cc1 ZINC001359955563 1064724278 /nfs/dbraw/zinc/72/42/78/1064724278.db2.gz XWDZQCGJTYEBQO-UHFFFAOYSA-N 0 0 482.673 4.754 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)CC1 ZINC001359955303 1064724346 /nfs/dbraw/zinc/72/43/46/1064724346.db2.gz ZGMRFJSGQFHRHW-UHFFFAOYSA-N 0 0 464.658 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCOCc1ccccc1)c1ccccc1C(F)(F)F ZINC001435361750 1064724488 /nfs/dbraw/zinc/72/44/88/1064724488.db2.gz MBOCMKGDUIRQSA-LJQANCHMSA-N 0 0 452.473 4.604 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CC)c1ccccc1S(=O)(=O)CC ZINC001435362016 1064724503 /nfs/dbraw/zinc/72/45/03/1064724503.db2.gz GSDHVGDQCFFNOE-KRWDZBQOSA-N 0 0 452.414 4.865 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ncccc2N(C)C)cc1 ZINC001359955601 1064724947 /nfs/dbraw/zinc/72/49/47/1064724947.db2.gz YTMYJUVKJPSBAU-NRFANRHFSA-N 0 0 492.668 4.883 20 0 JJADRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2ccc(Cl)cc2n1C ZINC001435364333 1064725084 /nfs/dbraw/zinc/72/50/84/1064725084.db2.gz PYYVOHZCWZVRED-RYUDHWBXSA-N 0 0 450.297 4.677 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC001359957065 1064725029 /nfs/dbraw/zinc/72/50/29/1064725029.db2.gz IKNPXWNEMWCBEH-HSZRJFAPSA-N 0 0 456.030 4.787 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccco2)cc1 ZINC001359955571 1064725287 /nfs/dbraw/zinc/72/52/87/1064725287.db2.gz YAMKEHANCVWTIV-HXUWFJFHSA-N 0 0 464.488 4.779 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc(C(F)(F)F)c1 ZINC001359956855 1064725314 /nfs/dbraw/zinc/72/53/14/1064725314.db2.gz AYVSMHRYSHDNNE-UHFFFAOYSA-N 0 0 457.408 4.807 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@@H](C)C2)cc1C ZINC001435364928 1064725572 /nfs/dbraw/zinc/72/55/72/1064725572.db2.gz AOQYMHPRBJWVHI-SFHVURJKSA-N 0 0 453.384 4.603 20 0 JJADRN CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC001435365250 1064726282 /nfs/dbraw/zinc/72/62/82/1064726282.db2.gz WNHNAEWMWMPOGY-GFCCVEGCSA-N 0 0 455.923 4.628 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001359957866 1064726399 /nfs/dbraw/zinc/72/63/99/1064726399.db2.gz FWDHMDLELBQJNU-LJQANCHMSA-N 0 0 463.022 4.546 20 0 JJADRN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c2cc(Cl)ccc21 ZINC001435368050 1064727245 /nfs/dbraw/zinc/72/72/45/1064727245.db2.gz OLCCGRGUICTFJP-SFHVURJKSA-N 0 0 452.769 4.734 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001435367786 1064727280 /nfs/dbraw/zinc/72/72/80/1064727280.db2.gz MKFZTOUVVVNYAN-WZONZLPQSA-N 0 0 452.599 4.580 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001435368508 1064727293 /nfs/dbraw/zinc/72/72/93/1064727293.db2.gz HCJFDTKIAMQPLQ-INIZCTEOSA-N 0 0 450.530 4.913 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001359958304 1064727735 /nfs/dbraw/zinc/72/77/35/1064727735.db2.gz RMGLFMLAEOGXBL-LJQANCHMSA-N 0 0 454.644 4.556 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001359958286 1064727853 /nfs/dbraw/zinc/72/78/53/1064727853.db2.gz RCKJVODIKJDDJY-SFHVURJKSA-N 0 0 484.538 4.603 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001435372124 1064728208 /nfs/dbraw/zinc/72/82/08/1064728208.db2.gz VSQQTLHYUJUKEH-SFHVURJKSA-N 0 0 455.352 4.928 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001359958425 1064728465 /nfs/dbraw/zinc/72/84/65/1064728465.db2.gz VYQMLQPWLNYZKH-UPVQGACJSA-N 0 0 455.647 4.648 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccn2)CC1 ZINC001359958590 1064728812 /nfs/dbraw/zinc/72/88/12/1064728812.db2.gz AJFDXUUDHLPZGW-DNQXCXABSA-N 0 0 469.674 4.866 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(I)c(C)n2)ccc1NC(=O)CC(C)C ZINC001435372835 1064728737 /nfs/dbraw/zinc/72/87/37/1064728737.db2.gz NAUWREIRISYVCF-UHFFFAOYSA-N 0 0 451.308 4.540 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001359958771 1064729304 /nfs/dbraw/zinc/72/93/04/1064729304.db2.gz HHLIACGTWXMJMX-UHFFFAOYSA-N 0 0 466.605 4.649 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001359958681 1064729362 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4.693 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1CCc1nccs1)C(C)C ZINC001359985374 1064764466 /nfs/dbraw/zinc/76/44/66/1064764466.db2.gz LACPUUBERDQULN-UHFFFAOYSA-N 0 0 451.438 4.616 20 0 JJADRN COCCC1(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CCCC1 ZINC001435450567 1064764594 /nfs/dbraw/zinc/76/45/94/1064764594.db2.gz KBYSHZFZWOUNGZ-SFHVURJKSA-N 0 0 458.521 4.984 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)Oc3cccc(Oc4ccnc(C(=O)NC)c4)c3C)c21 ZINC001435451074 1064764620 /nfs/dbraw/zinc/76/46/20/1064764620.db2.gz WOWBRLQITPQFIX-UHFFFAOYSA-N 0 0 459.502 4.570 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCCNC(=O)OC(C)(C)C)C(C)C ZINC001359985808 1064765036 /nfs/dbraw/zinc/76/50/36/1064765036.db2.gz QWODZRQDLBVTSY-UHFFFAOYSA-N 0 0 451.015 4.779 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCO[C@H]1C)C(C)C ZINC001359986032 1064766033 /nfs/dbraw/zinc/76/60/33/1064766033.db2.gz VWOWNLBVFQMIAP-RXFWQSSRSA-N 0 0 468.598 4.528 20 0 JJADRN CN(C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)nn1 ZINC001435454756 1064766554 /nfs/dbraw/zinc/76/65/54/1064766554.db2.gz UKUWJQPWQHONES-HXUWFJFHSA-N 0 0 455.345 4.718 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCOC[C@@H]1C)C(C)C ZINC001359986071 1064766623 /nfs/dbraw/zinc/76/66/23/1064766623.db2.gz XTNNUKLQUGOPTK-UXHICEINSA-N 0 0 459.704 4.723 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccc2Br)n1CCN1CCOC[C@@H]1C)C1CCCC1 ZINC001359986395 1064766969 /nfs/dbraw/zinc/76/69/69/1064766969.db2.gz KUKLOIUWMQNBSG-IBGZPJMESA-N 0 0 490.490 4.833 20 0 JJADRN CC(C)CN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CCCC1 ZINC001359986389 1064767051 /nfs/dbraw/zinc/76/70/51/1064767051.db2.gz KOEWYBXEIBUFDV-SFHVURJKSA-N 0 0 452.569 4.573 20 0 JJADRN CC(C)CN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CCCC1 ZINC001359986388 1064767174 /nfs/dbraw/zinc/76/71/74/1064767174.db2.gz KOEWYBXEIBUFDV-GOSISDBHSA-N 0 0 452.569 4.573 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3s2)C1)c1ccccc1 ZINC001435456625 1064767677 /nfs/dbraw/zinc/76/76/77/1064767677.db2.gz WQWLIVPLDRWOAM-HNNXBMFYSA-N 0 0 457.393 4.946 20 0 JJADRN CC(C)CN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCc1cccnc1)C(C)C ZINC001359987221 1064768154 /nfs/dbraw/zinc/76/81/54/1064768154.db2.gz NEOMEAISQQOMNH-UHFFFAOYSA-N 0 0 473.625 4.744 20 0 JJADRN CC(C)CN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)ccc1OC(F)F)C(C)C ZINC001359987048 1064768209 /nfs/dbraw/zinc/76/82/09/1064768209.db2.gz JYGGBMLLAAKQQO-UHFFFAOYSA-N 0 0 452.937 4.853 20 0 JJADRN Cc1ccc(C(=O)O[C@@H](C)c2c(F)cccc2-n2cccn2)cc1I ZINC001435458059 1064768584 /nfs/dbraw/zinc/76/85/84/1064768584.db2.gz GHNOCCXTERQYLN-ZDUSSCGKSA-N 0 0 450.251 4.842 20 0 JJADRN COCC1(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)CC1 ZINC001435459236 1064769062 /nfs/dbraw/zinc/76/90/62/1064769062.db2.gz HWNJTLAUFMMEFV-UHFFFAOYSA-N 0 0 450.608 4.619 20 0 JJADRN CC(C)CN(c1nnc(C2CCCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C)C(C)C ZINC001359988999 1064769689 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MNOLBKHJHUQPBG-HXUWFJFHSA-N 0 0 479.547 4.776 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1)C1CCCC1 ZINC001359989590 1064770904 /nfs/dbraw/zinc/77/09/04/1064770904.db2.gz BDXRCMHGTOWUEB-HSZRJFAPSA-N 0 0 498.672 4.629 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1C)C(C)C ZINC001359989521 1064771042 /nfs/dbraw/zinc/77/10/42/1064771042.db2.gz NRRPVFOSNMENMH-BHIFYINESA-N 0 0 477.694 4.936 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1)C1CCCC1 ZINC001359989830 1064771621 /nfs/dbraw/zinc/77/16/21/1064771621.db2.gz FPZOKTSMTUEFCF-UHFFFAOYSA-N 0 0 479.090 4.895 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001359990591 1064772198 /nfs/dbraw/zinc/77/21/98/1064772198.db2.gz ZSQYIRMUXQVDNZ-OAQYLSRUSA-N 0 0 461.651 4.610 20 0 JJADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC001435462885 1064772235 /nfs/dbraw/zinc/77/22/35/1064772235.db2.gz FWCZFHKZDQASAY-UHFFFAOYSA-N 0 0 459.365 4.703 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1)C1CCCC1 ZINC001359991085 1064772598 /nfs/dbraw/zinc/77/25/98/1064772598.db2.gz VSHWPPQZAXZYOL-CTNGQTDRSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CCCC1 ZINC001359991064 1064772724 /nfs/dbraw/zinc/77/27/24/1064772724.db2.gz VBBMBOOCPZQFJO-IBGZPJMESA-N 0 0 464.580 4.553 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)(C)C)c2)cs1 ZINC001435463646 1064772791 /nfs/dbraw/zinc/77/27/91/1064772791.db2.gz UZFPDEJWXPRLSD-JOCHJYFZSA-N 0 0 452.576 4.713 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)c1cccs1)C(C)C ZINC001359991456 1064773047 /nfs/dbraw/zinc/77/30/47/1064773047.db2.gz ZJUCHSCPEZCHDU-GBXCKJPGSA-N 0 0 456.612 4.631 20 0 JJADRN COc1ccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c(C(=O)NC2CC2)c1 ZINC001359991543 1064773143 /nfs/dbraw/zinc/77/31/43/1064773143.db2.gz WJSHNIWJOAGKNI-UHFFFAOYSA-N 0 0 453.589 4.897 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1)C1CCCC1 ZINC001359991437 1064773244 /nfs/dbraw/zinc/77/32/44/1064773244.db2.gz YYSXGLZUPAPTSO-OAQYLSRUSA-N 0 0 461.651 4.792 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)cc1 ZINC001435464527 1064773272 /nfs/dbraw/zinc/77/32/72/1064773272.db2.gz HWTVIQMTOQIQMX-INIZCTEOSA-N 0 0 454.571 4.582 20 0 JJADRN CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(Br)n1)C(C)C ZINC001359991789 1064773792 /nfs/dbraw/zinc/77/37/92/1064773792.db2.gz FPGZSTDIGQBFLU-UHFFFAOYSA-N 0 0 482.430 4.593 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC(C)(C)Sc3ccccc32)ccc1Cl ZINC001435466575 1064774334 /nfs/dbraw/zinc/77/43/34/1064774334.db2.gz DLLNOGWKRZFUIN-UHFFFAOYSA-N 0 0 453.029 4.948 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(CC)(CC)C3)c2)cc1 ZINC001435467100 1064774754 /nfs/dbraw/zinc/77/47/54/1064774754.db2.gz AOAQWBMUWHVXRB-UHFFFAOYSA-N 0 0 458.624 4.871 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359992897 1064775422 /nfs/dbraw/zinc/77/54/22/1064775422.db2.gz HVWPDCHMUKFMLL-NFBKMPQASA-N 0 0 466.548 4.985 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001359992888 1064775516 /nfs/dbraw/zinc/77/55/16/1064775516.db2.gz JXULSZNKLNMPJL-UHFFFAOYSA-N 0 0 452.532 4.757 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359992900 1064775612 /nfs/dbraw/zinc/77/56/12/1064775612.db2.gz HVWPDCHMUKFMLL-OFNKIYASSA-N 0 0 466.548 4.985 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1)C1CCCC1 ZINC001359993077 1064775963 /nfs/dbraw/zinc/77/59/63/1064775963.db2.gz MQPNCKWKROHVJD-SVFBPWRDSA-N 0 0 461.651 4.633 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c(Br)c1 ZINC001435468960 1064776018 /nfs/dbraw/zinc/77/60/18/1064776018.db2.gz AEIGLUTZOSOIEW-HNNXBMFYSA-N 0 0 459.315 4.513 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]1C ZINC001359993085 1064776070 /nfs/dbraw/zinc/77/60/70/1064776070.db2.gz MWDDGVLIZFLKIB-DOXZYTNZSA-N 0 0 494.865 4.964 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 ZINC001435470407 1064776599 /nfs/dbraw/zinc/77/65/99/1064776599.db2.gz UZLXFZAVQHHBMT-QFIPXVFZSA-N 0 0 454.530 4.605 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1)C(C)C ZINC001359993179 1064776571 /nfs/dbraw/zinc/77/65/71/1064776571.db2.gz QAVAMBDKKYQOGF-FPYOTAMTSA-N 0 0 481.707 4.522 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1)C1CCCC1 ZINC001359993514 1064777159 /nfs/dbraw/zinc/77/71/59/1064777159.db2.gz VOYYKESKIPEPBF-LJQANCHMSA-N 0 0 461.701 4.960 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)cc1 ZINC001435472930 1064778110 /nfs/dbraw/zinc/77/81/10/1064778110.db2.gz VNKYPHRVSVWATA-UONOGXRCSA-N 0 0 455.407 4.830 20 0 JJADRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359993856 1064778179 /nfs/dbraw/zinc/77/81/79/1064778179.db2.gz XXZRPAPZRRDWRR-NSHDSACASA-N 0 0 459.456 4.671 20 0 JJADRN CN(C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C1CCC(C)(C)CC1 ZINC001435475538 1064779604 /nfs/dbraw/zinc/77/96/04/1064779604.db2.gz NAFSRWDKCSNGIF-UHFFFAOYSA-N 0 0 454.390 4.721 20 0 JJADRN CC(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359995201 1064779673 /nfs/dbraw/zinc/77/96/73/1064779673.db2.gz BMTDDURFZJXWSX-HZPDHXFCSA-N 0 0 455.594 4.860 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995185 1064779822 /nfs/dbraw/zinc/77/98/22/1064779822.db2.gz ALJJFYXDMURKRT-MRXNPFEDSA-N 0 0 478.435 4.715 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359995250 1064780099 /nfs/dbraw/zinc/78/00/99/1064780099.db2.gz DTVNTQXHPDGNOV-QAPCUYQASA-N 0 0 478.435 4.713 20 0 JJADRN CC(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359995202 1064780273 /nfs/dbraw/zinc/78/02/73/1064780273.db2.gz BMTDDURFZJXWSX-JKSUJKDBSA-N 0 0 455.594 4.860 20 0 JJADRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC001435477463 1064780707 /nfs/dbraw/zinc/78/07/07/1064780707.db2.gz OAWFPSVXHWNMGA-UHFFFAOYSA-N 0 0 453.424 4.582 20 0 JJADRN Cc1sc2ncn(CC(=O)Nc3c(C)cc(Br)c4ccccc43)c(=O)c2c1C ZINC001435478240 1064781225 /nfs/dbraw/zinc/78/12/25/1064781225.db2.gz YCBPURRKXIIRIY-UHFFFAOYSA-N 0 0 456.365 4.938 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001359996271 1064781588 /nfs/dbraw/zinc/78/15/88/1064781588.db2.gz PQBBPJFNFNBPHB-DNVCBOLYSA-N 0 0 452.498 4.630 20 0 JJADRN COC(=O)C[C@H](C)CC(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC001435479558 1064781638 /nfs/dbraw/zinc/78/16/38/1064781638.db2.gz KGQIGSJLDKTOQL-ZDUSSCGKSA-N 0 0 459.296 4.661 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 ZINC001435479314 1064781649 /nfs/dbraw/zinc/78/16/49/1064781649.db2.gz VZUSQMUJHHISFZ-LLVKDONJSA-N 0 0 456.014 4.854 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2sc3cccc(F)c3c2COC)c1 ZINC001435479398 1064781676 /nfs/dbraw/zinc/78/16/76/1064781676.db2.gz XXMKPKWOESVMMS-ZDUSSCGKSA-N 0 0 450.557 4.516 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001435479684 1064781799 /nfs/dbraw/zinc/78/17/99/1064781799.db2.gz MGOUHQSUHVWIQG-LJQANCHMSA-N 0 0 455.287 4.698 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCOc1ccc(F)c(F)c1 ZINC001359996917 1064782238 /nfs/dbraw/zinc/78/22/38/1064782238.db2.gz FTUJOMHODVNBPB-UHFFFAOYSA-N 0 0 454.304 4.812 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359997789 1064783512 /nfs/dbraw/zinc/78/35/12/1064783512.db2.gz YLEXGZLNCYPILW-UHFFFAOYSA-N 0 0 452.430 4.991 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Br)c(F)c2C)c1C ZINC001359998241 1064783775 /nfs/dbraw/zinc/78/37/75/1064783775.db2.gz DUJAVDPCVIDKNM-KRWDZBQOSA-N 0 0 451.361 4.667 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c(OC2CCCC2)c1 ZINC001359998132 1064783992 /nfs/dbraw/zinc/78/39/92/1064783992.db2.gz CNCJZZGMKBSDMK-QFIPXVFZSA-N 0 0 454.592 4.787 20 0 JJADRN C[C@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435484906 1064784243 /nfs/dbraw/zinc/78/42/43/1064784243.db2.gz XCFLKFAMNJANHC-LBPRGKRZSA-N 0 0 459.344 4.779 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)NCc2ccc(C)cc2OCC(F)(F)F)no1 ZINC001435484342 1064784349 /nfs/dbraw/zinc/78/43/49/1064784349.db2.gz OADOFFXXYIGXII-UHFFFAOYSA-N 0 0 451.470 4.850 20 0 JJADRN CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001359998365 1064784345 /nfs/dbraw/zinc/78/43/45/1064784345.db2.gz GTXKRXLZTRVWLK-QGZVFWFLSA-N 0 0 455.432 4.889 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1COC1CCOCC1 ZINC001359998948 1064785343 /nfs/dbraw/zinc/78/53/43/1064785343.db2.gz LGJWESNKAHSVPW-UHFFFAOYSA-N 0 0 456.970 4.914 20 0 JJADRN CSc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)ccc1Br ZINC001359998977 1064785516 /nfs/dbraw/zinc/78/55/16/1064785516.db2.gz OAHVJRCUDQJUHQ-INIZCTEOSA-N 0 0 451.411 4.633 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3F)c2)c1 ZINC001359999070 1064785565 /nfs/dbraw/zinc/78/55/65/1064785565.db2.gz PZAOFLIKXIVHKA-HSZRJFAPSA-N 0 0 450.535 4.867 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1 ZINC001359999844 1064785873 /nfs/dbraw/zinc/78/58/73/1064785873.db2.gz ZKVPQLUKVWIHIQ-UHFFFAOYSA-N 0 0 458.946 4.960 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360000543 1064786293 /nfs/dbraw/zinc/78/62/93/1064786293.db2.gz LATPBDIZAUFTKN-IBGZPJMESA-N 0 0 459.610 4.747 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360000544 1064786327 /nfs/dbraw/zinc/78/63/27/1064786327.db2.gz LATPBDIZAUFTKN-LJQANCHMSA-N 0 0 459.610 4.747 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001435488882 1064786333 /nfs/dbraw/zinc/78/63/33/1064786333.db2.gz ZSAHNJCKDZUXEM-HXUWFJFHSA-N 0 0 458.356 4.571 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)c1ccc(I)cc1)CCC2 ZINC001435488322 1064786372 /nfs/dbraw/zinc/78/63/72/1064786372.db2.gz MAHQFBKOCFKNCV-MLGOLLRUSA-N 0 0 454.377 4.950 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC001359999878 1064786410 /nfs/dbraw/zinc/78/64/10/1064786410.db2.gz ZFAVDFSMNNEQQH-ROUUACIJSA-N 0 0 451.361 4.622 20 0 JJADRN CC(C)(C)c1csc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)n1 ZINC001359999932 1064786510 /nfs/dbraw/zinc/78/65/10/1064786510.db2.gz ADXFUZYWIYWBDP-UHFFFAOYSA-N 0 0 451.365 4.500 20 0 JJADRN CC(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360001441 1064787548 /nfs/dbraw/zinc/78/75/48/1064787548.db2.gz OSFLBVMYEHQKGR-ZWKOTPCHSA-N 0 0 471.593 4.647 20 0 JJADRN CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1Br ZINC001360001392 1064787595 /nfs/dbraw/zinc/78/75/95/1064787595.db2.gz MPRFJADCTVOWBI-UHFFFAOYSA-N 0 0 484.446 4.507 20 0 JJADRN CN(C)c1cccc(CN(C)C(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1 ZINC001435491736 1064787463 /nfs/dbraw/zinc/78/74/63/1064787463.db2.gz PZIUGOANMRJYHJ-QFIPXVFZSA-N 0 0 451.611 4.969 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1Cl ZINC001435490983 1064787475 /nfs/dbraw/zinc/78/74/75/1064787475.db2.gz IYOXJZBRZLQVND-HXUWFJFHSA-N 0 0 453.329 4.679 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N[C@H](CC(N)=O)c3ccccc3Cl)cc12 ZINC001435490899 1064787499 /nfs/dbraw/zinc/78/74/99/1064787499.db2.gz IBPRXIDTLIABQK-GOSISDBHSA-N 0 0 452.967 4.704 20 0 JJADRN CSc1cnn(-c2ccccc2)c1NC(=O)c1cc(F)ccc1I ZINC001435492461 1064788081 /nfs/dbraw/zinc/78/80/81/1064788081.db2.gz VJDXGDRUOHMFTG-UHFFFAOYSA-N 0 0 453.280 4.590 20 0 JJADRN CC(C)CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCCC1 ZINC001435493299 1064788107 /nfs/dbraw/zinc/78/81/07/1064788107.db2.gz WPRBXXGJKITOCB-UHFFFAOYSA-N 0 0 459.027 4.603 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC001360001973 1064788052 /nfs/dbraw/zinc/78/80/52/1064788052.db2.gz DDBVZZUJTSDLST-UHFFFAOYSA-N 0 0 453.535 4.900 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(C)c3)cc2)c(C)c1Cl ZINC001360002055 1064788121 /nfs/dbraw/zinc/78/81/21/1064788121.db2.gz GFFDZWQDAIAYEW-FQEVSTJZSA-N 0 0 454.983 4.605 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001360001656 1064788145 /nfs/dbraw/zinc/78/81/45/1064788145.db2.gz YVYVGQXTEOUSOL-UNMCSNQZSA-N 0 0 487.620 4.766 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC001360002277 1064788177 /nfs/dbraw/zinc/78/81/77/1064788177.db2.gz IJEQQWHACSSWRA-CYFREDJKSA-N 0 0 458.583 4.870 20 0 JJADRN CCC[C@H]1CCCN(C(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001435494810 1064788428 /nfs/dbraw/zinc/78/84/28/1064788428.db2.gz NYSBGEMZGKFZHM-LBPRGKRZSA-N 0 0 450.158 4.635 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)s1 ZINC001360002383 1064788585 /nfs/dbraw/zinc/78/85/85/1064788585.db2.gz KKDXMUISZPASGG-WBVHZDCISA-N 0 0 457.621 4.633 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)cc3)cs2)cc1 ZINC001360002456 1064788598 /nfs/dbraw/zinc/78/85/98/1064788598.db2.gz KRNBOMWKKLMPBB-HXUWFJFHSA-N 0 0 453.589 4.671 20 0 JJADRN COc1cc(C)ccc1CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC001435494623 1064788566 /nfs/dbraw/zinc/78/85/66/1064788566.db2.gz BUYMSUGZNBAQPS-UHFFFAOYSA-N 0 0 454.368 4.761 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC001360002625 1064788680 /nfs/dbraw/zinc/78/86/80/1064788680.db2.gz MOWIQVJFLSQRDR-LJQANCHMSA-N 0 0 458.008 4.855 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)s1 ZINC001360002380 1064788744 /nfs/dbraw/zinc/78/87/44/1064788744.db2.gz KKDXMUISZPASGG-NVXWUHKLSA-N 0 0 457.621 4.633 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cn1cnc2c(C)cccc2c1=O ZINC001360002437 1064788752 /nfs/dbraw/zinc/78/87/52/1064788752.db2.gz KWOHXKMBXASGAB-AWEZNQCLSA-N 0 0 452.967 4.668 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC001435495333 1064789019 /nfs/dbraw/zinc/78/90/19/1064789019.db2.gz MHEDUFUGXIZATD-INIZCTEOSA-N 0 0 452.507 4.606 20 0 JJADRN COC(=O)c1cccc(CNC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)c1 ZINC001435496138 1064789611 /nfs/dbraw/zinc/78/96/11/1064789611.db2.gz FSPFSJWZHVCVAK-UHFFFAOYSA-N 0 0 459.365 4.906 20 0 JJADRN CC(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360003315 1064789515 /nfs/dbraw/zinc/78/95/15/1064789515.db2.gz JGTVVEGZZZCTNV-UHFFFAOYSA-N 0 0 466.630 4.842 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360004162 1064790020 /nfs/dbraw/zinc/79/00/20/1064790020.db2.gz CCKJTCSVSWRCTC-SFHVURJKSA-N 0 0 478.037 4.860 20 0 JJADRN COc1ncc(/C=C/C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)cn1 ZINC001435496739 1064790138 /nfs/dbraw/zinc/79/01/38/1064790138.db2.gz GZZXXBDYBYPIRT-BCPZQOPPSA-N 0 0 459.369 4.570 20 0 JJADRN CC(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004234 1064790240 /nfs/dbraw/zinc/79/02/40/1064790240.db2.gz DVLKTGFDVCKEIQ-RBUKOAKNSA-N 0 0 475.609 4.782 20 0 JJADRN COCc1nc(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)cs1 ZINC001435497551 1064790529 /nfs/dbraw/zinc/79/05/29/1064790529.db2.gz LFYTWQRDKSLSQM-JTQLQIEISA-N 0 0 452.399 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)C1 ZINC001435497862 1064790695 /nfs/dbraw/zinc/79/06/95/1064790695.db2.gz TWBHNUORLZXSLN-SMDDNHRTSA-N 0 0 456.383 4.754 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1OC(F)F ZINC001360004306 1064790719 /nfs/dbraw/zinc/79/07/19/1064790719.db2.gz INUYWNNGQBZDKR-UHFFFAOYSA-N 0 0 453.445 4.715 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(OCCF)c3)C2)c2ccccc12 ZINC001435498978 1064791178 /nfs/dbraw/zinc/79/11/78/1064791178.db2.gz RXENERQBUCSEQU-GOSISDBHSA-N 0 0 450.510 4.688 20 0 JJADRN CC1(C)C[C@H](NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c2ccccc21 ZINC001435500104 1064791222 /nfs/dbraw/zinc/79/12/22/1064791222.db2.gz JCNVQCDWXYMYCD-NRFANRHFSA-N 0 0 455.396 4.840 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCCC3(C)C)c2)cc1 ZINC001435500071 1064791310 /nfs/dbraw/zinc/79/13/10/1064791310.db2.gz WAUXJKMAZWFNGE-HSZRJFAPSA-N 0 0 458.624 4.917 20 0 JJADRN COc1ccc(CCNC(=O)Cc2c(C)cc(C)c(Br)c2C)cc1OC(F)F ZINC001360004607 1064791230 /nfs/dbraw/zinc/79/12/30/1064791230.db2.gz NNUCZBTUTRCWSI-UHFFFAOYSA-N 0 0 456.327 4.886 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001360004673 1064791347 /nfs/dbraw/zinc/79/13/47/1064791347.db2.gz QAICWSZXMHFVAF-IBGZPJMESA-N 0 0 459.953 4.748 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001360005834 1064792315 /nfs/dbraw/zinc/79/23/15/1064792315.db2.gz DCLRTGYQVNHVKR-KDURUIRLSA-N 0 0 461.651 4.633 20 0 JJADRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCc2cc(Br)cc(Cl)c21 ZINC001360005605 1064792383 /nfs/dbraw/zinc/79/23/83/1064792383.db2.gz UVNWCYWZSYIYNM-CYBMUJFWSA-N 0 0 451.748 4.697 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3cccc4c3CCN4C(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001435506430 1064794091 /nfs/dbraw/zinc/79/40/91/1064794091.db2.gz AVBLSMCORFPTTL-ROUUACIJSA-N 0 0 451.567 4.850 20 0 JJADRN CC1(C)CCCC[C@H]1CC(=O)Nc1ncc(Br)cc1I ZINC001435547396 1064822156 /nfs/dbraw/zinc/82/21/56/1064822156.db2.gz NEPCIIPLXZIQKK-JTQLQIEISA-N 0 0 451.146 4.994 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC001435507547 1064795186 /nfs/dbraw/zinc/79/51/86/1064795186.db2.gz AXQGTHKXKPXHLT-IBGZPJMESA-N 0 0 452.942 4.565 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)ccc2Br)cc1C ZINC001360007442 1064795426 /nfs/dbraw/zinc/79/54/26/1064795426.db2.gz UZXZPWWFHMACHR-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Br)c(Cl)c2)c(OC[C@H]2CCCO2)c1 ZINC001435508298 1064795535 /nfs/dbraw/zinc/79/55/35/1064795535.db2.gz UFXRSPOFYOILGE-QGZVFWFLSA-N 0 0 452.776 4.828 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1 ZINC001435509134 1064795677 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DSTWKADEJMWPJJ-KAYWLYCHSA-N 0 0 458.558 4.597 20 0 JJADRN COC(=O)c1cnc(N(C)C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)s1 ZINC001435513148 1064798054 /nfs/dbraw/zinc/79/80/54/1064798054.db2.gz JMWUHCGORTXPMK-UHFFFAOYSA-N 0 0 451.386 4.866 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)CC2=O)cc1 ZINC001435512672 1064798232 /nfs/dbraw/zinc/79/82/32/1064798232.db2.gz CAZRSMNFLTVFCX-QGZVFWFLSA-N 0 0 452.457 4.753 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001360008933 1064799131 /nfs/dbraw/zinc/79/91/31/1064799131.db2.gz BEFJZQWCPPYLTI-IAQYHMDHSA-N 0 0 458.830 4.823 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cc(OC)ccc2OC)c1 ZINC001435514610 1064799362 /nfs/dbraw/zinc/79/93/62/1064799362.db2.gz UCBXFJSHJAQXLW-UHFFFAOYSA-N 0 0 458.923 4.942 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)C2)c1 ZINC001435515979 1064799624 /nfs/dbraw/zinc/79/96/24/1064799624.db2.gz VQSWMUUDHIGGIN-QHCPKHFHSA-N 0 0 454.429 4.906 20 0 JJADRN 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1064801780 /nfs/dbraw/zinc/80/17/80/1064801780.db2.gz DZECSXCZDNQPAU-UHFFFAOYSA-N 0 0 451.954 4.971 20 0 JJADRN CSCc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)cc1 ZINC001435519083 1064801837 /nfs/dbraw/zinc/80/18/37/1064801837.db2.gz JEUVXQXLMQRTAE-UHFFFAOYSA-N 0 0 458.649 4.851 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001435519665 1064802371 /nfs/dbraw/zinc/80/23/71/1064802371.db2.gz PNOCSSLAMHWHEW-IBGZPJMESA-N 0 0 456.873 4.826 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1cc(C)c(=O)n(C)c1 ZINC001435519635 1064802391 /nfs/dbraw/zinc/80/23/91/1064802391.db2.gz SLUHNXKXVGHAEP-UHFFFAOYSA-N 0 0 452.502 4.593 20 0 JJADRN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1OC1CCCC1 ZINC001435521620 1064804093 /nfs/dbraw/zinc/80/40/93/1064804093.db2.gz XGIVLCZDSMMQPZ-QHCPKHFHSA-N 0 0 451.563 4.844 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)ccc1NC(=O)CC(C)C ZINC001435521266 1064804178 /nfs/dbraw/zinc/80/41/78/1064804178.db2.gz OPYAIIPLFLQYCI-DEOSSOPVSA-N 0 0 450.579 4.807 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001435521237 1064804193 /nfs/dbraw/zinc/80/41/93/1064804193.db2.gz ODJQESYZMCYIMH-NSHDSACASA-N 0 0 459.350 4.571 20 0 JJADRN Cc1noc(C)c1CCCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001435522290 1064805026 /nfs/dbraw/zinc/80/50/26/1064805026.db2.gz VDEYDDSETYJRRJ-UHFFFAOYSA-N 0 0 456.340 4.669 20 0 JJADRN COc1ccc(Br)cc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001360011488 1064805193 /nfs/dbraw/zinc/80/51/93/1064805193.db2.gz ITGGPPHINVJLIA-LHSJRXKWSA-N 0 0 455.393 4.661 20 0 JJADRN CCCC1(CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)CC1 ZINC001435523237 1064805742 /nfs/dbraw/zinc/80/57/42/1064805742.db2.gz KNIRCJIGHNKLHR-DHLKQENFSA-N 0 0 450.579 4.885 20 0 JJADRN C[C@@H](C[C@H]1CCOC1)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001435525160 1064807179 /nfs/dbraw/zinc/80/71/79/1064807179.db2.gz TYNHXQBLWSSJSW-DLBZAZTESA-N 0 0 456.999 4.611 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1 ZINC001435525092 1064807360 /nfs/dbraw/zinc/80/73/60/1064807360.db2.gz SPIUJDBLPLTDLT-UHFFFAOYSA-N 0 0 455.407 4.630 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001435524533 1064807373 /nfs/dbraw/zinc/80/73/73/1064807373.db2.gz IHCWBRIZAVCUHD-QGZVFWFLSA-N 0 0 453.421 4.972 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)Cc3ccccc3Br)c(=O)oc2c1 ZINC001435525972 1064808221 /nfs/dbraw/zinc/80/82/21/1064808221.db2.gz ZRYAHTMEJQNHKP-AWEZNQCLSA-N 0 0 458.352 4.553 20 0 JJADRN Cc1ccc(I)c(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC001435526351 1064808924 /nfs/dbraw/zinc/80/89/24/1064808924.db2.gz WYHBZBPDDGWAOQ-UHFFFAOYSA-N 0 0 459.331 4.839 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001435527826 1064809629 /nfs/dbraw/zinc/80/96/29/1064809629.db2.gz WHUIOAKSERFPKD-QGZVFWFLSA-N 0 0 453.848 4.679 20 0 JJADRN O=C(Cc1ccc(-n2cccc2)cc1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435529736 1064811293 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DMYPQTHDDHBVAZ-OALUTQOASA-N 0 0 485.629 4.555 20 0 JJADRN O=C(Nc1cccc(C(=O)NCCCO[C@H]2CCOC2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001435532752 1064813852 /nfs/dbraw/zinc/81/38/52/1064813852.db2.gz TXMRSEWDPHCULP-KRWDZBQOSA-N 0 0 452.338 4.563 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)[C@H](OC)c3ccccc3C(F)(F)F)cc2c(OC)c1 ZINC001435532234 1064813912 /nfs/dbraw/zinc/81/39/12/1064813912.db2.gz KKEYUXZHIYTASY-OAQYLSRUSA-N 0 0 450.457 4.640 20 0 JJADRN Cc1c(C(=O)NCc2ccc(C)cc2OC(C)(C)C)nnn1-c1ccccc1Br ZINC001435536775 1064815406 /nfs/dbraw/zinc/81/54/06/1064815406.db2.gz UAWKAENNASTDCU-UHFFFAOYSA-N 0 0 457.372 4.754 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)Cc2cccs2)CC1=O ZINC001360016361 1064815569 /nfs/dbraw/zinc/81/55/69/1064815569.db2.gz ZKERWZGWUNLBLT-UXHICEINSA-N 0 0 499.656 4.802 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(C)(C)C2)[C@H](C)C1=O ZINC001360017295 1064816198 /nfs/dbraw/zinc/81/61/98/1064816198.db2.gz CRHAOXYDACISLF-QGZVFWFLSA-N 0 0 475.584 4.676 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOC(C)(C)C)[C@H](C)C1=O ZINC001360017034 1064816301 /nfs/dbraw/zinc/81/63/01/1064816301.db2.gz BFIHNTOIDKISPB-LJQANCHMSA-N 0 0 487.714 4.784 20 0 JJADRN C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435539590 1064816662 /nfs/dbraw/zinc/81/66/62/1064816662.db2.gz HGVPHVCDERFGSC-IIANPFDCSA-N 0 0 455.337 4.999 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC001435538993 1064816852 /nfs/dbraw/zinc/81/68/52/1064816852.db2.gz BSAACRFUFJDUIV-NRFANRHFSA-N 0 0 454.404 4.898 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCCC2(C)C)[C@H](C)C1=O ZINC001360017409 1064817908 /nfs/dbraw/zinc/81/79/08/1064817908.db2.gz DSAOBKJZQUNHMP-PBBNMVCDSA-N 0 0 495.712 4.877 20 0 JJADRN COc1ccc2cc(C(=O)N[C@@H](C)c3nc(-c4ccc(Br)cc4)no3)cnc2c1 ZINC001435540775 1064818017 /nfs/dbraw/zinc/81/80/17/1064818017.db2.gz VVMACJMSLCSJSU-LBPRGKRZSA-N 0 0 453.296 4.547 20 0 JJADRN 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COc1cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1Br ZINC001435556643 1064829023 /nfs/dbraw/zinc/82/90/23/1064829023.db2.gz HXORRUUHTHZBJW-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)cc1 ZINC001435558815 1064830712 /nfs/dbraw/zinc/83/07/12/1064830712.db2.gz QTGRZBYGQJCSJY-NRFANRHFSA-N 0 0 458.624 4.594 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)c1 ZINC001360029665 1064831000 /nfs/dbraw/zinc/83/10/00/1064831000.db2.gz CPEBOTIQGIKSJF-AREMUKBSSA-N 0 0 454.567 4.834 20 0 JJADRN CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360030156 1064831841 /nfs/dbraw/zinc/83/18/41/1064831841.db2.gz DYJJVVUPAYLPPQ-IBGZPJMESA-N 0 0 473.637 4.865 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)ccc1F ZINC001435559850 1064832018 /nfs/dbraw/zinc/83/20/18/1064832018.db2.gz VXYNMUUCVRUTKR-UHFFFAOYSA-N 0 0 454.995 4.555 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCC2(C)C)[C@H](C)C1=O 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ZINC001435581344 1064847786 /nfs/dbraw/zinc/84/77/86/1064847786.db2.gz PNTOLFJUGSUIEG-UHFFFAOYSA-N 0 0 452.274 4.977 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC001360037909 1064848088 /nfs/dbraw/zinc/84/80/88/1064848088.db2.gz XTAMOBYYSFXMQH-UQBPGWFLSA-N 0 0 450.604 4.789 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)N(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC001435583125 1064848789 /nfs/dbraw/zinc/84/87/89/1064848789.db2.gz AEEFEZPSWHDFJR-PGMHBOJBSA-N 0 0 450.627 4.958 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(C(C)C)n2CCC2Cc3ccccc3C2)CC1 ZINC001360038049 1064848850 /nfs/dbraw/zinc/84/88/50/1064848850.db2.gz ASZDEXZXFSWVTF-UHFFFAOYSA-N 0 0 453.631 4.511 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC001435584305 1064849397 /nfs/dbraw/zinc/84/93/97/1064849397.db2.gz KBMBYHPHUWKWDL-UHFFFAOYSA-N 0 0 452.917 4.827 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001435584813 1064849520 /nfs/dbraw/zinc/84/95/20/1064849520.db2.gz 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KQXXBSHWQFBHQJ-HRFSGMKKSA-N 0 0 459.590 4.870 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2F)n1 ZINC001360049795 1064872712 /nfs/dbraw/zinc/87/27/12/1064872712.db2.gz ZDYKXDZNHJHSNG-INIZCTEOSA-N 0 0 476.572 4.946 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2F)n1 ZINC001360049796 1064872886 /nfs/dbraw/zinc/87/28/86/1064872886.db2.gz ZDYKXDZNHJHSNG-MRXNPFEDSA-N 0 0 476.572 4.946 20 0 JJADRN CC(C)(CNC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccccc1Br ZINC001435609559 1064873263 /nfs/dbraw/zinc/87/32/63/1064873263.db2.gz LZLDONSHVZPLAY-UHFFFAOYSA-N 0 0 454.290 4.912 20 0 JJADRN CC(C)COc1ccc(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001360049823 1064873641 /nfs/dbraw/zinc/87/36/41/1064873641.db2.gz ZYYDREGREZFANU-UHFFFAOYSA-N 0 0 467.658 4.714 20 0 JJADRN CC(C)COc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC=C(Br)C2)c1 ZINC001360050058 1064873649 /nfs/dbraw/zinc/87/36/49/1064873649.db2.gz HIONERYLYKRZCX-UHFFFAOYSA-N 0 0 468.399 4.912 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1OCc1cscn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435609816 1064873693 /nfs/dbraw/zinc/87/36/93/1064873693.db2.gz PZHQNQFALQNMAD-HOYKHHGWSA-N 0 0 452.576 4.777 20 0 JJADRN CSc1ncc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)n1-c1ccccc1 ZINC001435610017 1064873787 /nfs/dbraw/zinc/87/37/87/1064873787.db2.gz MJOJQNGKPVVOKY-JPYJTQIMSA-N 0 0 451.592 4.649 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)cc1Cl ZINC001435610233 1064873895 /nfs/dbraw/zinc/87/38/95/1064873895.db2.gz SIPDGTRBFMATAS-LLVKDONJSA-N 0 0 458.711 4.611 20 0 JJADRN CC(C)COc1ccc(Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)cc1 ZINC001360050130 1064874657 /nfs/dbraw/zinc/87/46/57/1064874657.db2.gz JFLMIXCMGMYDCZ-UHFFFAOYSA-N 0 0 470.375 4.596 20 0 JJADRN CC(C)COc1cccc(Cn2c(C3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001360050480 1064875343 /nfs/dbraw/zinc/87/53/43/1064875343.db2.gz UJOAGNGRERGBMM-HSZRJFAPSA-N 0 0 466.548 4.768 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360050915 1064877356 /nfs/dbraw/zinc/87/73/56/1064877356.db2.gz AERLDMREFHKUOR-MSOLQXFVSA-N 0 0 457.546 4.565 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1 ZINC001360050987 1064877504 /nfs/dbraw/zinc/87/75/04/1064877504.db2.gz BPPQHUBCYCXAOP-ZWKOTPCHSA-N 0 0 455.555 4.648 20 0 JJADRN Cc1cc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)nc(C(F)(F)F)n1 ZINC001360051502 1064877903 /nfs/dbraw/zinc/87/79/03/1064877903.db2.gz JLHRBMXYTFZITP-UHFFFAOYSA-N 0 0 457.275 4.866 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC001435616321 1064878474 /nfs/dbraw/zinc/87/84/74/1064878474.db2.gz AMPPFCZZMJFYRZ-UHFFFAOYSA-N 0 0 451.910 4.622 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C1 ZINC001360051551 1064878630 /nfs/dbraw/zinc/87/86/30/1064878630.db2.gz DBPKWDXVIIZRAQ-INIZCTEOSA-N 0 0 458.404 4.965 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001360051586 1064878661 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Cn1cc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c2ccccc2c1=O ZINC001360052433 1064880780 /nfs/dbraw/zinc/88/07/80/1064880780.db2.gz QSULEVGJDDAVKM-UHFFFAOYSA-N 0 0 454.349 4.601 20 0 JJADRN Cc1nc(CCC(=O)NCCc2ccc(N(C)C)cc2)oc1-c1ccc(Br)cc1 ZINC001360052457 1064880820 /nfs/dbraw/zinc/88/08/20/1064880820.db2.gz REPDIVSMCAUIBJ-UHFFFAOYSA-N 0 0 456.384 4.770 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360052858 1064881484 /nfs/dbraw/zinc/88/14/84/1064881484.db2.gz RUFLUOJWUYGIJH-UHFFFAOYSA-N 0 0 462.520 4.540 20 0 JJADRN CC(C)COc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C)CC1 ZINC001360052936 1064881566 /nfs/dbraw/zinc/88/15/66/1064881566.db2.gz SQPDFXSTMQZELF-UHFFFAOYSA-N 0 0 462.598 4.635 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)c(F)cc3Br)o2)cc1 ZINC001435618054 1064881486 /nfs/dbraw/zinc/88/14/86/1064881486.db2.gz CUJDOIMTUBYDTM-UHFFFAOYSA-N 0 0 456.268 4.517 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)OCc2cn(-c3ccccc3Cl)nn2)c(Br)c1 ZINC001435619631 1064882055 /nfs/dbraw/zinc/88/20/55/1064882055.db2.gz MTVPLXARPIXXNP-CYBMUJFWSA-N 0 0 450.720 4.502 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001435619773 1064882117 /nfs/dbraw/zinc/88/21/17/1064882117.db2.gz MKAFJRVHPCRCCT-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN CC(C)COc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2C(C)C)c1 ZINC001360053343 1064881995 /nfs/dbraw/zinc/88/19/95/1064881995.db2.gz ZHWDMINMGXWDPP-JOCHJYFZSA-N 0 0 481.666 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1Cc1ccc(N(CC)CC)nc1 ZINC001545892263 1064882586 /nfs/dbraw/zinc/88/25/86/1064882586.db2.gz QYAPDFLTWPPOBC-YADHBBJMSA-N 0 0 481.689 4.503 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2=O)c(C)c1 ZINC001435620829 1064882732 /nfs/dbraw/zinc/88/27/32/1064882732.db2.gz IXCNPIRBYDEZKU-QGZVFWFLSA-N 0 0 456.468 4.808 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360053785 1064882552 /nfs/dbraw/zinc/88/25/52/1064882552.db2.gz FKGZKSZLDFPYDX-SFHVURJKSA-N 0 0 467.580 4.732 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360054338 1064882707 /nfs/dbraw/zinc/88/27/07/1064882707.db2.gz JPXSQIRULAQULQ-UXHICEINSA-N 0 0 481.666 4.835 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(N(CC)CC)nc1 ZINC001545892261 1064882903 /nfs/dbraw/zinc/88/29/03/1064882903.db2.gz QYAPDFLTWPPOBC-FGZHOGPDSA-N 0 0 481.689 4.503 20 0 JJADRN CC(C)COc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC=C(Br)C1 ZINC001360054543 1064883377 /nfs/dbraw/zinc/88/33/77/1064883377.db2.gz LQNIMYZFTUFSBW-UHFFFAOYSA-N 0 0 482.426 4.836 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 ZINC001360054856 1064883990 /nfs/dbraw/zinc/88/39/90/1064883990.db2.gz OOLCIWKEQCTTOO-RBBKRZOGSA-N 0 0 499.656 4.516 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H](c1ccccc1C)C(C)C ZINC001360055049 1064884109 /nfs/dbraw/zinc/88/41/09/1064884109.db2.gz SWTYNGGUSQEJOQ-VWLOTQADSA-N 0 0 456.542 4.927 20 0 JJADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001435623587 1064885126 /nfs/dbraw/zinc/88/51/26/1064885126.db2.gz WKFKVNJAICTDJR-FQEVSTJZSA-N 0 0 454.514 4.681 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001435623887 1064885145 /nfs/dbraw/zinc/88/51/45/1064885145.db2.gz FUQNCQKFTVRIAA-IIBYNOLFSA-N 0 0 453.970 4.523 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360055913 1064885584 /nfs/dbraw/zinc/88/55/84/1064885584.db2.gz WSXYOZQIPODPCU-UHFFFAOYSA-N 0 0 467.580 4.733 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001360055715 1064885635 /nfs/dbraw/zinc/88/56/35/1064885635.db2.gz VHBXMXGUHHEIKE-UXHICEINSA-N 0 0 481.666 4.978 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 ZINC001360056130 1064886299 /nfs/dbraw/zinc/88/62/99/1064886299.db2.gz AVUCHFNHQAKDQV-QFIPXVFZSA-N 0 0 455.518 4.535 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(C(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001360056213 1064887094 /nfs/dbraw/zinc/88/70/94/1064887094.db2.gz BHIPKAGWPQOZLK-KRWDZBQOSA-N 0 0 451.402 4.656 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2cccc(Cl)c2)cc1 ZINC001435626435 1064887808 /nfs/dbraw/zinc/88/78/08/1064887808.db2.gz MQQSFZPIDRWIIF-NTKDMRAZSA-N 0 0 452.938 4.586 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)c(OC)c1 ZINC001435626292 1064887952 /nfs/dbraw/zinc/88/79/52/1064887952.db2.gz TXIJKDRUKOAVGB-LZXSFHIYSA-N 0 0 451.611 4.570 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNC(=O)C(C)(C)C)C1 ZINC001360056924 1064889621 /nfs/dbraw/zinc/88/96/21/1064889621.db2.gz HLDPBYZMWRWAHX-FQEVSTJZSA-N 0 0 487.714 4.689 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC001435627507 1064889740 /nfs/dbraw/zinc/88/97/40/1064889740.db2.gz ZTIALKHNOGUCGQ-UTKZUKDTSA-N 0 0 453.656 4.834 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)C(=O)Cc1ccccc1I ZINC001435629406 1064890349 /nfs/dbraw/zinc/89/03/49/1064890349.db2.gz NITDMUUKAUBPBR-GFCCVEGCSA-N 0 0 458.137 4.816 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)s1 ZINC001435628338 1064890417 /nfs/dbraw/zinc/89/04/17/1064890417.db2.gz BMJCQPPFDMJEQF-UHFFFAOYSA-N 0 0 452.923 4.765 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)NCc3ccc(COC4CCOCC4)cc3)cs2)cc1 ZINC001435628234 1064890443 /nfs/dbraw/zinc/89/04/43/1064890443.db2.gz DIQCYYNIDXXTHP-UHFFFAOYSA-N 0 0 452.576 4.834 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001360057672 1064891004 /nfs/dbraw/zinc/89/10/04/1064891004.db2.gz MLTGMZKBERDEIH-LJQANCHMSA-N 0 0 477.943 4.895 20 0 JJADRN COc1cccc(C2(CNC(=O)c3cc4ccc(Br)cc4c(=O)o3)CCCC2)c1 ZINC001360057333 1064891066 /nfs/dbraw/zinc/89/10/66/1064891066.db2.gz MBRZPWLTYCNVAP-UHFFFAOYSA-N 0 0 456.336 4.806 20 0 JJADRN CC1=C(C(=O)Nc2nc3c(cc(OC(F)(F)F)cc3Br)s2)SCCO1 ZINC001435630093 1064891144 /nfs/dbraw/zinc/89/11/44/1064891144.db2.gz XUMQSPGLZZLASS-UHFFFAOYSA-N 0 0 455.277 4.891 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccc(Cl)cc1OC ZINC001545892337 1064891168 /nfs/dbraw/zinc/89/11/68/1064891168.db2.gz SJZQWDWKMAKELD-ROUUACIJSA-N 0 0 474.049 4.923 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc(Cl)cc1OCC ZINC001435629773 1064891239 /nfs/dbraw/zinc/89/12/39/1064891239.db2.gz GTALFPWGYPNMEQ-OAHLLOKOSA-N 0 0 456.029 4.719 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCCCC2=O)C1 ZINC001360057761 1064891579 /nfs/dbraw/zinc/89/15/79/1064891579.db2.gz NMRMWVMMAAIWCZ-QFIPXVFZSA-N 0 0 474.049 4.643 20 0 JJADRN O=C(CCN1CCCS1(=O)=O)N[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001435630558 1064891959 /nfs/dbraw/zinc/89/19/59/1064891959.db2.gz KYDQDVCQARRHCA-DEOSSOPVSA-N 0 0 456.608 4.642 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCS2)C1 ZINC001360057765 1064892511 /nfs/dbraw/zinc/89/25/11/1064892511.db2.gz NMZLKKQISMRTCP-ZWKOTPCHSA-N 0 0 482.492 4.583 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc(Cl)cc2OCC)[C@H]1c1ccc(OC)cc1 ZINC001435631241 1064892745 /nfs/dbraw/zinc/89/27/45/1064892745.db2.gz MRPBGDOTUHDRNA-ZJSXRUAMSA-N 0 0 458.986 4.753 20 0 JJADRN CC(C)c1nc(C(=O)NCc2ccc(Br)c(F)c2)nn1-c1ccccc1Cl ZINC001360058115 1064892997 /nfs/dbraw/zinc/89/29/97/1064892997.db2.gz SEYBKCKAYZUCRE-UHFFFAOYSA-N 0 0 451.727 4.876 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(F)(F)F)C1 ZINC001360058036 1064893116 /nfs/dbraw/zinc/89/31/16/1064893116.db2.gz PKFBVBHOXJLVEY-QGZVFWFLSA-N 0 0 491.352 4.885 20 0 JJADRN CCCN(CC)c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC001435631737 1064893180 /nfs/dbraw/zinc/89/31/80/1064893180.db2.gz KWECHSAXOBCXNB-KSSFIOAISA-N 0 0 450.461 4.846 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC001435632792 1064893257 /nfs/dbraw/zinc/89/32/57/1064893257.db2.gz SXOUFXXNGUTOEJ-UHFFFAOYSA-N 0 0 454.954 4.765 20 0 JJADRN COc1cccc([C@H](C)C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435632557 1064893472 /nfs/dbraw/zinc/89/34/72/1064893472.db2.gz OTJYUFYUWMPOIU-QHCPKHFHSA-N 0 0 458.602 4.749 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 ZINC001360058450 1064893929 /nfs/dbraw/zinc/89/39/29/1064893929.db2.gz RYCRWRVPLCLNNH-BBTUJRGHSA-N 0 0 477.447 4.774 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)C1 ZINC001360058538 1064894556 /nfs/dbraw/zinc/89/45/56/1064894556.db2.gz SJBQJGGLEWGRGW-YBGOQADZSA-N 0 0 488.629 4.778 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001360058699 1064895281 /nfs/dbraw/zinc/89/52/81/1064895281.db2.gz URABYJRYPVOWDR-SFHVURJKSA-N 0 0 496.027 4.904 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N(CC1CCCCC1)c1ccccn1 ZINC001435635973 1064897639 /nfs/dbraw/zinc/89/76/39/1064897639.db2.gz HGCWCGPIOVDEGR-SFHVURJKSA-N 0 0 456.384 4.811 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)C1 ZINC001360058910 1064897743 /nfs/dbraw/zinc/89/77/43/1064897743.db2.gz YNAQHKNQYRLKNV-HOFKKMOUSA-N 0 0 488.648 4.687 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001360059815 1064898246 /nfs/dbraw/zinc/89/82/46/1064898246.db2.gz JTZITBWNMJWODE-UFYCRDLUSA-N 0 0 451.537 4.960 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001360059940 1064898787 /nfs/dbraw/zinc/89/87/87/1064898787.db2.gz LAWVGWSPHQJKSC-UHFFFAOYSA-N 0 0 456.951 4.530 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOC(C)(C)C)C1 ZINC001360059933 1064898950 /nfs/dbraw/zinc/89/89/50/1064898950.db2.gz KSLHWJCTWCLSMF-HXUWFJFHSA-N 0 0 453.587 4.667 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCOc2ccc(Cl)cn2)C1 ZINC001360059935 1064899026 /nfs/dbraw/zinc/89/90/26/1064899026.db2.gz KSZHSTHQNAGHLC-GOSISDBHSA-N 0 0 476.408 4.977 20 0 JJADRN CCOC(=O)CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)[C@H](C)c1cccc(Br)c1 ZINC001435638589 1064899585 /nfs/dbraw/zinc/89/95/85/1064899585.db2.gz 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C[C@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC001360061334 1064900487 /nfs/dbraw/zinc/90/04/87/1064900487.db2.gz XSMLYZSPOLFNJO-INIZCTEOSA-N 0 0 453.336 4.785 20 0 JJADRN CNC(=O)c1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c(Cl)c1 ZINC001435640646 1064900938 /nfs/dbraw/zinc/90/09/38/1064900938.db2.gz SHCSMBQOOVGFQS-KRWDZBQOSA-N 0 0 451.995 4.749 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)CC(F)(F)F)C1 ZINC001360061365 1064900932 /nfs/dbraw/zinc/90/09/32/1064900932.db2.gz VQSKUGPHFVJYNV-QGZVFWFLSA-N 0 0 473.971 4.734 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001360061370 1064900992 /nfs/dbraw/zinc/90/09/92/1064900992.db2.gz VQTQCGPIXTUIML-OAQYLSRUSA-N 0 0 494.640 4.930 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCS2)C1 ZINC001360061499 1064901034 /nfs/dbraw/zinc/90/10/34/1064901034.db2.gz WTJLBEGNRDEHBX-IAGOWNOFSA-N 0 0 465.461 4.855 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCS2)C1 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WFYKCUGAUGXGOX-UHFFFAOYSA-N 0 0 456.384 4.735 20 0 JJADRN CC(C)CSCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360076270 1064924229 /nfs/dbraw/zinc/92/42/29/1064924229.db2.gz KNZPLRNHLNEDTA-SFHVURJKSA-N 0 0 455.628 4.562 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001360076163 1064924302 /nfs/dbraw/zinc/92/43/02/1064924302.db2.gz HKYQWIRJXQCLCL-SBUREZEXSA-N 0 0 483.053 4.901 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c(Br)c1 ZINC001435671486 1064924574 /nfs/dbraw/zinc/92/45/74/1064924574.db2.gz AGTIECUXEJFGKT-CQSZACIVSA-N 0 0 453.336 4.946 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)ccc21 ZINC001435674983 1064927110 /nfs/dbraw/zinc/92/71/10/1064927110.db2.gz JQZWMXZRYWIAJA-UHFFFAOYSA-N 0 0 454.933 4.974 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)C3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)ccc21 ZINC001435674480 1064927152 /nfs/dbraw/zinc/92/71/52/1064927152.db2.gz JDWGVYFWTMYTKN-UHFFFAOYSA-N 0 0 455.599 4.742 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001360076773 1064928371 /nfs/dbraw/zinc/92/83/71/1064928371.db2.gz URZBBGOQAYFOPF-MBSDFSHPSA-N 0 0 465.063 4.762 20 0 JJADRN CC(C)CSCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001360077049 1064929004 /nfs/dbraw/zinc/92/90/04/1064929004.db2.gz YFMVCXPOHOKYGH-UHFFFAOYSA-N 0 0 452.068 4.729 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360076924 1064929084 /nfs/dbraw/zinc/92/90/84/1064929084.db2.gz HBXFUCDKLUPSMU-RTWAWAEBSA-N 0 0 495.734 4.848 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001435677270 1064929192 /nfs/dbraw/zinc/92/91/92/1064929192.db2.gz SCGWPIFCEYWWEU-UHFFFAOYSA-N 0 0 453.543 4.719 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001360076986 1064929175 /nfs/dbraw/zinc/92/91/75/1064929175.db2.gz ICQYIMMYWAOZFO-JOCHJYFZSA-N 0 0 477.719 4.528 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(I)c1 ZINC001435677269 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ZCIIFBCJAGJTNH-KRWDZBQOSA-N 0 0 451.876 4.552 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc(Cl)nc(C2CC2)c1 ZINC001435684831 1064932867 /nfs/dbraw/zinc/93/28/67/1064932867.db2.gz ZCIIFBCJAGJTNH-QGZVFWFLSA-N 0 0 451.876 4.552 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001360078990 1064932873 /nfs/dbraw/zinc/93/28/73/1064932873.db2.gz AGKKDRFREFUDOA-NRFANRHFSA-N 0 0 482.673 4.897 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360079210 1064933385 /nfs/dbraw/zinc/93/33/85/1064933385.db2.gz DNPYPHBPPWTFTN-KRWDZBQOSA-N 0 0 452.615 4.930 20 0 JJADRN CC[C@@H](C)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001435686902 1064933909 /nfs/dbraw/zinc/93/39/09/1064933909.db2.gz OTVLKFQKDCOZQQ-MRXNPFEDSA-N 0 0 451.535 4.622 20 0 JJADRN CCC(C)(C)c1ccc(COC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC001435687579 1064934056 /nfs/dbraw/zinc/93/40/56/1064934056.db2.gz VVFLRTFWTHAJLA-NRFANRHFSA-N 0 0 453.579 4.526 20 0 JJADRN C[C@@H](c1ccccn1)N(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001435688728 1064934487 /nfs/dbraw/zinc/93/44/87/1064934487.db2.gz OGNNXMGQOMIHRT-XQBPLPMBSA-N 0 0 452.599 4.887 20 0 JJADRN CC(C)CSCCCn1c(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C ZINC001360079949 1064935127 /nfs/dbraw/zinc/93/51/27/1064935127.db2.gz RGJBTBJKPCREMU-LJQANCHMSA-N 0 0 477.723 4.745 20 0 JJADRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001435689801 1064935387 /nfs/dbraw/zinc/93/53/87/1064935387.db2.gz SYDRCDURTHQNSB-SFHVURJKSA-N 0 0 457.374 4.604 20 0 JJADRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001435689799 1064935429 /nfs/dbraw/zinc/93/54/29/1064935429.db2.gz SYDRCDURTHQNSB-GOSISDBHSA-N 0 0 457.374 4.604 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001360079950 1064935810 /nfs/dbraw/zinc/93/58/10/1064935810.db2.gz RHUGQCYYARDIGX-RUZDIDTESA-N 0 0 476.662 4.562 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001360080011 1064936003 /nfs/dbraw/zinc/93/60/03/1064936003.db2.gz SJBHRBDGLDBUSE-LWYYNNOASA-N 0 0 465.708 4.920 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001360080009 1064936021 /nfs/dbraw/zinc/93/60/21/1064936021.db2.gz SJBHRBDGLDBUSE-FGYAAKKASA-N 0 0 465.708 4.920 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC001435690557 1064936565 /nfs/dbraw/zinc/93/65/65/1064936565.db2.gz DSBXQZQDBYVTAO-UHFFFAOYSA-N 0 0 454.070 4.964 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001435690720 1064936584 /nfs/dbraw/zinc/93/65/84/1064936584.db2.gz DAFGCSUPZFKDLV-FDPIWHGQSA-N 0 0 469.420 4.725 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001435691036 1064936603 /nfs/dbraw/zinc/93/66/03/1064936603.db2.gz HEOXKJQRPYHNOW-IERDGZPVSA-N 0 0 459.384 4.581 20 0 JJADRN CC(C)CSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360080185 1064937145 /nfs/dbraw/zinc/93/71/45/1064937145.db2.gz BSXVQOHEUBRYKD-UHFFFAOYSA-N 0 0 491.105 4.638 20 0 JJADRN CC(C)CSCCCn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 ZINC001360080138 1064937365 /nfs/dbraw/zinc/93/73/65/1064937365.db2.gz WFQQGOPRKBJNIW-UHFFFAOYSA-N 0 0 473.735 4.958 20 0 JJADRN COc1cc(CCC(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)on1 ZINC001435691903 1064938411 /nfs/dbraw/zinc/93/84/11/1064938411.db2.gz RUPJUPRCNQNZFC-IBGZPJMESA-N 0 0 452.404 4.710 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1cc(Br)ccc1C ZINC001435692543 1064938792 /nfs/dbraw/zinc/93/87/92/1064938792.db2.gz SDUOUBOJWIZMAH-ORAYPTAESA-N 0 0 455.190 4.955 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1cc(Br)ccc1C ZINC001435692544 1064938992 /nfs/dbraw/zinc/93/89/92/1064938992.db2.gz SDUOUBOJWIZMAH-YJYMSZOUSA-N 0 0 455.190 4.955 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001435692201 1064939085 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UHHHMELVBUGZIN-LJQANCHMSA-N 0 0 491.677 4.641 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1 ZINC001435693065 1064940151 /nfs/dbraw/zinc/94/01/51/1064940151.db2.gz FOPZMSCDWXFJRL-UHFFFAOYSA-N 0 0 457.324 4.974 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC001435693179 1064940245 /nfs/dbraw/zinc/94/02/45/1064940245.db2.gz CWQCJEPVUHEZCN-UHFFFAOYSA-N 0 0 455.517 4.940 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC001360081135 1064940233 /nfs/dbraw/zinc/94/02/33/1064940233.db2.gz BUVRPPKLLCKAKM-UHFFFAOYSA-N 0 0 451.311 4.504 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001360081211 1064940283 /nfs/dbraw/zinc/94/02/83/1064940283.db2.gz FELQHKBVHSUNCV-OXQOHEQNSA-N 0 0 451.405 4.612 20 0 JJADRN COc1ccc(CCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1Br ZINC001360081527 1064940802 /nfs/dbraw/zinc/94/08/02/1064940802.db2.gz DVHYWLZZJWBPQJ-UHFFFAOYSA-N 0 0 450.333 4.610 20 0 JJADRN O=C(Nc1cccc(OCc2cscn2)c1)c1c(F)cccc1I ZINC001360081263 1064940881 /nfs/dbraw/zinc/94/08/81/1064940881.db2.gz GSZZKJXUYCVOIX-UHFFFAOYSA-N 0 0 454.264 4.718 20 0 JJADRN CCc1c(C(=O)N2CCCc3c(Br)ccc(C)c32)nnn1Cc1ccc(F)cc1 ZINC001435694943 1064941612 /nfs/dbraw/zinc/94/16/12/1064941612.db2.gz PCZBINDHNNHUOW-UHFFFAOYSA-N 0 0 457.347 4.692 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(Cc2cscn2)CC1 ZINC001360082575 1064942163 /nfs/dbraw/zinc/94/21/63/1064942163.db2.gz GBFZLXQMPNVRLT-UHFFFAOYSA-N 0 0 495.093 4.906 20 0 JJADRN CC(C)CSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001360082600 1064942257 /nfs/dbraw/zinc/94/22/57/1064942257.db2.gz GZSXBEADNBVKBQ-OAQYLSRUSA-N 0 0 461.582 4.529 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)CCCCNC(=O)OCc1ccccc1)CC2 ZINC001435696456 1064942893 /nfs/dbraw/zinc/94/28/93/1064942893.db2.gz LYJKVQBHOMFKSJ-UHFFFAOYSA-N 0 0 459.384 4.739 20 0 JJADRN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001435696815 1064943407 /nfs/dbraw/zinc/94/34/07/1064943407.db2.gz JQKLVGGISMMOLO-UHFFFAOYSA-N 0 0 451.399 4.807 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCc4cc(Br)cc(C)c4C3)CCC2=O)cc1C ZINC001435696991 1064943564 /nfs/dbraw/zinc/94/35/64/1064943564.db2.gz PHYFPGNRIVLTOK-IBGZPJMESA-N 0 0 455.396 4.702 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001360082921 1064943508 /nfs/dbraw/zinc/94/35/08/1064943508.db2.gz QGMFMEOZQHSRSZ-UHFFFAOYSA-N 0 0 465.671 4.574 20 0 JJADRN CC(C)CSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001360082886 1064943539 /nfs/dbraw/zinc/94/35/39/1064943539.db2.gz OXIUMIPQHAIHLP-NRFANRHFSA-N 0 0 458.031 4.961 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360082930 1064943600 /nfs/dbraw/zinc/94/36/00/1064943600.db2.gz QMNGKWIGDFFHJH-FQEVSTJZSA-N 0 0 492.011 4.912 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360083015 1064944095 /nfs/dbraw/zinc/94/40/95/1064944095.db2.gz TVKBYFJOGOOVPS-OAQYLSRUSA-N 0 0 456.578 4.864 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2OC)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001435698309 1064944666 /nfs/dbraw/zinc/94/46/66/1064944666.db2.gz AOAQLDIOJPENGO-PXNSSMCTSA-N 0 0 457.567 4.951 20 0 JJADRN CC(C)CSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360083162 1064944861 /nfs/dbraw/zinc/94/48/61/1064944861.db2.gz YUKRAVCTDRJCAK-UHFFFAOYSA-N 0 0 480.682 4.624 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001360083396 1064945153 /nfs/dbraw/zinc/94/51/53/1064945153.db2.gz FWOXWIPNIZHINW-JOCHJYFZSA-N 0 0 472.655 4.714 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC001435699322 1064945704 /nfs/dbraw/zinc/94/57/04/1064945704.db2.gz JPGUXAMCINBAOA-KRWDZBQOSA-N 0 0 456.757 4.612 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCCNC(=O)c1cccs1 ZINC001435699741 1064945759 /nfs/dbraw/zinc/94/57/59/1064945759.db2.gz DGLZKBGVYVUHPN-UHFFFAOYSA-N 0 0 453.514 4.653 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N(Cc3cc(F)ccc3F)c3ccccc3)CC2=O)cc1 ZINC001360083862 1064945805 /nfs/dbraw/zinc/94/58/05/1064945805.db2.gz AFRMGNWNZNZTEZ-FQEVSTJZSA-N 0 0 450.485 4.555 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001360083890 1064946033 /nfs/dbraw/zinc/94/60/33/1064946033.db2.gz AJRAAONIKWDTOH-VFADXPBXSA-N 0 0 459.736 4.868 20 0 JJADRN COCC(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001435700159 1064946306 /nfs/dbraw/zinc/94/63/06/1064946306.db2.gz BXUDWCQNGCBZEI-UHFFFAOYSA-N 0 0 452.624 4.865 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(SC(F)(F)F)nc1 ZINC001435700983 1064946930 /nfs/dbraw/zinc/94/69/30/1064946930.db2.gz PIQYXUUKQGVEML-CYBMUJFWSA-N 0 0 450.269 4.536 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CC2)n1 ZINC001360085361 1064947034 /nfs/dbraw/zinc/94/70/34/1064947034.db2.gz XEJLHYZLMOPPMM-UHFFFAOYSA-N 0 0 451.954 4.675 20 0 JJADRN Cn1c(SCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001360085129 1064947118 /nfs/dbraw/zinc/94/71/18/1064947118.db2.gz 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CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001360085730 1064948357 /nfs/dbraw/zinc/94/83/57/1064948357.db2.gz HVHNZUYSACRTIJ-KKSFZXQISA-N 0 0 450.599 4.540 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360085790 1064948401 /nfs/dbraw/zinc/94/84/01/1064948401.db2.gz IXJQAHRVYJHOCK-SFTDATJTSA-N 0 0 495.734 4.645 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)[C@H]3CCc4nncn4CC3)oc21 ZINC001435706357 1064949119 /nfs/dbraw/zinc/94/91/19/1064949119.db2.gz GSIBCDFXUZXLSL-MGPUTAFESA-N 0 0 459.388 4.903 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(Br)cc(Br)c2)cc1 ZINC001435706902 1064949158 /nfs/dbraw/zinc/94/91/58/1064949158.db2.gz TWOJGXQZBOHYRX-GTNSWQLSSA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001360086061 1064949361 /nfs/dbraw/zinc/94/93/61/1064949361.db2.gz OXKBAZZBYUQVFF-AZUAARDMSA-N 0 0 495.487 4.512 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H](CCc1ccccc1)C(F)(F)F 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ZINC001435753083 1064977607 /nfs/dbraw/zinc/97/76/07/1064977607.db2.gz DYJHEBYZNCBDEY-HSZRJFAPSA-N 0 0 455.530 4.664 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N(C)CCOc1ccc(OCc3ccccc3)cc1)=C2 ZINC001360099694 1064978628 /nfs/dbraw/zinc/97/86/28/1064978628.db2.gz OPMUPODZHPIPCV-UHFFFAOYSA-N 0 0 459.542 4.978 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC001435756541 1064978681 /nfs/dbraw/zinc/97/86/81/1064978681.db2.gz GUXBQTXNUPYDRV-UHFFFAOYSA-N 0 0 456.333 4.832 20 0 JJADRN CCc1nn(C)c(Cl)c1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001360099404 1064978929 /nfs/dbraw/zinc/97/89/29/1064978929.db2.gz FKCKUUXJQWUMOY-UHFFFAOYSA-N 0 0 452.729 4.842 20 0 JJADRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cncc(Br)c4)cc3C2=O)c1 ZINC001435763492 1064981237 /nfs/dbraw/zinc/98/12/37/1064981237.db2.gz YMHQFMTYGWMUFJ-UHFFFAOYSA-N 0 0 450.292 4.514 20 0 JJADRN Cc1c(Br)cccc1COC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001435769984 1064984768 /nfs/dbraw/zinc/98/47/68/1064984768.db2.gz 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FSNMORFDAVHNLW-ROUUACIJSA-N 0 0 451.544 4.753 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1OC ZINC001360111909 1064993275 /nfs/dbraw/zinc/99/32/75/1064993275.db2.gz YAZJVIASQPOXJK-INIZCTEOSA-N 0 0 450.564 4.666 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC001435793592 1064993516 /nfs/dbraw/zinc/99/35/16/1064993516.db2.gz NVQDBYYMBIBNOZ-OAHLLOKOSA-N 0 0 459.486 4.842 20 0 JJADRN CCc1c(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)cnn1Cc1ccccc1 ZINC001435794770 1064994107 /nfs/dbraw/zinc/99/41/07/1064994107.db2.gz OBBMGDNSZYGVFV-UHFFFAOYSA-N 0 0 456.333 4.738 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)no1 ZINC001435795570 1064994754 /nfs/dbraw/zinc/99/47/54/1064994754.db2.gz OOJPNJYZQVSCGB-UHFFFAOYSA-N 0 0 458.396 4.746 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC=CCC1 ZINC001435797005 1064995119 /nfs/dbraw/zinc/99/51/19/1064995119.db2.gz BPVXVWUXIVCQHP-OAQYLSRUSA-N 0 0 452.338 4.686 20 0 JJADRN CCOC(=O)CN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)[C@H](C)c1ccccc1 ZINC001435796754 1064995327 /nfs/dbraw/zinc/99/53/27/1064995327.db2.gz QRBUVXOLPDGRHA-LJQANCHMSA-N 0 0 456.546 4.710 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001435796989 1064995340 /nfs/dbraw/zinc/99/53/40/1064995340.db2.gz AZONCKMBBVOUGQ-LBPRGKRZSA-N 0 0 452.711 4.744 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C(C)C ZINC001360113608 1064995772 /nfs/dbraw/zinc/99/57/72/1064995772.db2.gz IJNQPOXXPXMDJQ-JOCHJYFZSA-N 0 0 478.410 4.997 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001435798139 1064995879 /nfs/dbraw/zinc/99/58/79/1064995879.db2.gz OHMRPLRHHAENIQ-UHFFFAOYSA-N 0 0 456.333 4.793 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC001435797428 1064995966 /nfs/dbraw/zinc/99/59/66/1064995966.db2.gz BPYOPMXYLYXBEV-UHFFFAOYSA-N 0 0 451.910 4.582 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCCN1CCCCCC1=O ZINC001360113774 1064996484 /nfs/dbraw/zinc/99/64/84/1064996484.db2.gz NONUQEGGPGVQIJ-UHFFFAOYSA-N 0 0 466.605 4.630 20 0 JJADRN O=C(OCc1cn(-c2ccc(F)cc2Cl)nn1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001435798745 1064996442 /nfs/dbraw/zinc/99/64/42/1064996442.db2.gz XCQDJHVRKCKHMS-UHFFFAOYSA-N 0 0 450.829 4.819 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)c3ccc(F)c(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC001435799221 1064996480 /nfs/dbraw/zinc/99/64/80/1064996480.db2.gz RZSMQWOYXFCTIQ-JSGCOSHPSA-N 0 0 455.404 4.519 20 0 JJADRN C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC001435799277 1064997095 /nfs/dbraw/zinc/99/70/95/1064997095.db2.gz UXSFSNXYLTVFAU-HNNXBMFYSA-N 0 0 451.013 4.513 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)C3CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001435800484 1064997603 /nfs/dbraw/zinc/99/76/03/1064997603.db2.gz HPLNMCKKVJHDMC-QGUBCYKSSA-N 0 0 450.579 4.801 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1=O ZINC001360115069 1064997663 /nfs/dbraw/zinc/99/76/63/1064997663.db2.gz INLYKYAJVYJPQS-CMKODMSKSA-N 0 0 454.542 4.889 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1Cc1cccc(Br)n1 ZINC001360115650 1064998454 /nfs/dbraw/zinc/99/84/54/1064998454.db2.gz FHONKRGAFQAMAI-KRWDZBQOSA-N 0 0 474.378 4.542 20 0 JJADRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(I)cc(C)c2C)c1C ZINC001435801760 1064998955 /nfs/dbraw/zinc/99/89/55/1064998955.db2.gz CZHGUOFLMMLLIM-UHFFFAOYSA-N 0 0 457.695 4.909 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[S@@](=O)C(C)(C)C ZINC001360116166 1064999608 /nfs/dbraw/zinc/99/96/08/1064999608.db2.gz WQXVXIKWCSKPIK-PKHCJMHPSA-N 0 0 450.624 4.621 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC[S@@](=O)C(C)(C)C ZINC001360116167 1065000300 /nfs/dbraw/zinc/00/03/00/1065000300.db2.gz WQXVXIKWCSKPIK-PLTNMMHCSA-N 0 0 450.624 4.621 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001435803666 1065000576 /nfs/dbraw/zinc/00/05/76/1065000576.db2.gz OXTIOBSUZKFHAA-LHSJRXKWSA-N 0 0 459.468 4.732 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccsc1Br ZINC001360116322 1065000684 /nfs/dbraw/zinc/00/06/84/1065000684.db2.gz AYMALBKBSBQZSR-KRWDZBQOSA-N 0 0 492.418 4.656 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360116282 1065000808 /nfs/dbraw/zinc/00/08/08/1065000808.db2.gz ZOMGWFLBHVCRFR-HXUWFJFHSA-N 0 0 461.582 4.551 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2ccccn2)n1CCCNC(=O)OC(C)(C)C ZINC001360116493 1065001292 /nfs/dbraw/zinc/00/12/92/1065001292.db2.gz HFJFCHATNAUKIS-UHFFFAOYSA-N 0 0 468.577 4.809 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CCN1C(=O)OC(C)(C)C ZINC001435805287 1065001632 /nfs/dbraw/zinc/00/16/32/1065001632.db2.gz DCIDWDYNXOIDQE-QWFCFKBJSA-N 0 0 451.007 4.993 20 0 JJADRN CC(C)c1nc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)nn1-c1cccc(F)c1 ZINC001435805444 1065001721 /nfs/dbraw/zinc/00/17/21/1065001721.db2.gz JDWFWAXJZLXYID-UHFFFAOYSA-N 0 0 455.509 4.548 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360116714 1065001715 /nfs/dbraw/zinc/00/17/15/1065001715.db2.gz NYSKJKAZVJYFAU-UHFFFAOYSA-N 0 0 479.507 4.756 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Cl)s1 ZINC001360116637 1065002007 /nfs/dbraw/zinc/00/20/07/1065002007.db2.gz LFUZHFUCVBQVRB-GOSISDBHSA-N 0 0 461.994 4.741 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cc(Br)cn2C)n1CC1(C)COC1 ZINC001360116909 1065002340 /nfs/dbraw/zinc/00/23/40/1065002340.db2.gz UZNJCCPRZLMHOB-UHFFFAOYSA-N 0 0 476.394 4.637 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360116795 1065002555 /nfs/dbraw/zinc/00/25/55/1065002555.db2.gz QJMCNOOGRQKXKI-SFHVURJKSA-N 0 0 470.618 4.586 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N(CC(=O)Nc3ccc(F)cc3)C(C)(C)C)n2)ccc1F ZINC001435807417 1065002507 /nfs/dbraw/zinc/00/25/07/1065002507.db2.gz VQPCQRIKTLCYCY-UHFFFAOYSA-N 0 0 456.493 4.522 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001435808906 1065002911 /nfs/dbraw/zinc/00/29/11/1065002911.db2.gz QIDSMTLVEQTIIT-JLTOFOAXSA-N 0 0 453.414 4.504 20 0 JJADRN CCn1c(SCC(=O)OCc2cc(C)nc(C)n2)nnc1-c1ccc(Cl)cc1Cl ZINC001435808901 1065003008 /nfs/dbraw/zinc/00/30/08/1065003008.db2.gz QBGMHZPTJNMDGU-UHFFFAOYSA-N 0 0 452.367 4.514 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435809680 1065003470 /nfs/dbraw/zinc/00/34/70/1065003470.db2.gz UDMKAXUZMOHEOH-YJYMSZOUSA-N 0 0 451.398 4.735 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC001435809099 1065003611 /nfs/dbraw/zinc/00/36/11/1065003611.db2.gz JDHMZCGWXISILN-SFHVURJKSA-N 0 0 459.970 4.992 20 0 JJADRN CC[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1F ZINC001435810011 1065003920 /nfs/dbraw/zinc/00/39/20/1065003920.db2.gz OVWZQVSJRLXLNT-KRWDZBQOSA-N 0 0 457.951 4.873 20 0 JJADRN C[C@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1OCCc2sccc21 ZINC001435811655 1065004536 /nfs/dbraw/zinc/00/45/36/1065004536.db2.gz PJDYNHFPRMZUNJ-DJJJIMSYSA-N 0 0 451.470 4.780 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)O[C@H]2CCOc3cc(F)ccc32)c1)c1ccccc1 ZINC001435811573 1065004566 /nfs/dbraw/zinc/00/45/66/1065004566.db2.gz YGCYGPWLMJVBFI-ZHRRBRCNSA-N 0 0 455.507 4.546 20 0 JJADRN CC[C@H](OC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1cccc(Br)c1 ZINC001435811372 1065004711 /nfs/dbraw/zinc/00/47/11/1065004711.db2.gz XTAHCTWWMJJKHU-HNNXBMFYSA-N 0 0 455.234 4.752 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1=O ZINC001435812817 1065005155 /nfs/dbraw/zinc/00/51/55/1065005155.db2.gz ZZSFMGYYIKGIHU-LJQANCHMSA-N 0 0 455.986 4.574 20 0 JJADRN CCC(CC)(CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC1CC1)c1ccc(OC)c(OC)c1 ZINC001435812850 1065005690 /nfs/dbraw/zinc/00/56/90/1065005690.db2.gz JAVQXMLRPKKQKG-UHFFFAOYSA-N 0 0 451.567 4.657 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1ccco1 ZINC001360118957 1065005787 /nfs/dbraw/zinc/00/57/87/1065005787.db2.gz UIIIKHAOVBQNSA-UHFFFAOYSA-N 0 0 471.920 4.769 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCCCC1 ZINC001360119102 1065005812 /nfs/dbraw/zinc/00/58/12/1065005812.db2.gz XBFKZTWVYQJLIB-UHFFFAOYSA-N 0 0 476.419 4.749 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)nn2-c2ccccc2)cc1 ZINC001435814348 1065006031 /nfs/dbraw/zinc/00/60/31/1065006031.db2.gz CLBFGGSFUYDYID-UHFFFAOYSA-N 0 0 458.493 4.641 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(CC2CC2)n1CCCn1cc(Br)cn1 ZINC001360119282 1065006264 /nfs/dbraw/zinc/00/62/64/1065006264.db2.gz ZVTZVYQRHBWOBH-UHFFFAOYSA-N 0 0 475.410 4.834 20 0 JJADRN O=C([C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001435815094 1065006599 /nfs/dbraw/zinc/00/65/99/1065006599.db2.gz VDJRZMVDIBGLIO-QHCPKHFHSA-N 0 0 456.876 4.614 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360119656 1065006755 /nfs/dbraw/zinc/00/67/55/1065006755.db2.gz IFSJEUWIEBIXAB-SCTDSRPQSA-N 0 0 488.576 4.557 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360119739 1065006776 /nfs/dbraw/zinc/00/67/76/1065006776.db2.gz KKXUJPXHPSUNSN-HXUWFJFHSA-N 0 0 487.645 4.706 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC001435816342 1065007098 /nfs/dbraw/zinc/00/70/98/1065007098.db2.gz KPVBKUHPEYQIPB-OAQYLSRUSA-N 0 0 459.384 4.537 20 0 JJADRN Cc1ccc(-c2cncc(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)c2)cc1 ZINC001435816590 1065007480 /nfs/dbraw/zinc/00/74/80/1065007480.db2.gz DRKRMJBDXXOBJD-NRFANRHFSA-N 0 0 453.464 4.607 20 0 JJADRN O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1(c2ccccc2Cl)CCC1 ZINC001435817254 1065007519 /nfs/dbraw/zinc/00/75/19/1065007519.db2.gz IROJJDWLMWMRGC-INIZCTEOSA-N 0 0 450.888 4.698 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1nc2c(cccc2Cl)n1C ZINC001435817283 1065007612 /nfs/dbraw/zinc/00/76/12/1065007612.db2.gz JGTVQQUGHJJSPD-ZDUSSCGKSA-N 0 0 452.001 4.530 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 ZINC001360120771 1065008256 /nfs/dbraw/zinc/00/82/56/1065008256.db2.gz FGCSKVDMONAEKD-FQEVSTJZSA-N 0 0 473.618 4.663 20 0 JJADRN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001435819132 1065008626 /nfs/dbraw/zinc/00/86/26/1065008626.db2.gz VZNDOEDQDKIWLX-HNNXBMFYSA-N 0 0 450.844 4.944 20 0 JJADRN O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001360120965 1065008819 /nfs/dbraw/zinc/00/88/19/1065008819.db2.gz SVKBNXKFSFSGSQ-INIZCTEOSA-N 0 0 457.857 4.866 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001360120836 1065008862 /nfs/dbraw/zinc/00/88/62/1065008862.db2.gz GKZZDXGPHATAFA-TZIWHRDSSA-N 0 0 473.687 4.832 20 0 JJADRN COc1ccc(OC(=O)c2ccn(-c3cccc(Br)c3)n2)c(Br)c1 ZINC001435820190 1065009104 /nfs/dbraw/zinc/00/91/04/1065009104.db2.gz ALBSDHSBIKHEBY-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN COc1ccc(OC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c(Br)c1 ZINC001435821187 1065009126 /nfs/dbraw/zinc/00/91/26/1065009126.db2.gz LYNWXTZFWAFXSX-UHFFFAOYSA-N 0 0 457.111 4.624 20 0 JJADRN Cn1ccc([C@H](NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ccc(Cl)cc2)n1 ZINC001435821652 1065009549 /nfs/dbraw/zinc/00/95/49/1065009549.db2.gz AUTVSIJWMAVZTG-HXUWFJFHSA-N 0 0 459.859 4.797 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(CC2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360121419 1065009724 /nfs/dbraw/zinc/00/97/24/1065009724.db2.gz SZQMAFPVVROXLH-FQEVSTJZSA-N 0 0 457.619 4.886 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 ZINC001360121423 1065009807 /nfs/dbraw/zinc/00/98/07/1065009807.db2.gz TVQFXHGZPOUHKZ-UHFFFAOYSA-N 0 0 472.033 4.641 20 0 JJADRN COc1ccc(OC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c(Br)c1 ZINC001435822860 1065009778 /nfs/dbraw/zinc/00/97/78/1065009778.db2.gz WDDRUMJVOSDJBR-UHFFFAOYSA-N 0 0 456.321 4.986 20 0 JJADRN Cn1ccc([C@@H](NC(=O)c2cc3c(Br)cccc3cn2)c2ccc(Cl)cc2)n1 ZINC001435823263 1065010387 /nfs/dbraw/zinc/01/03/87/1065010387.db2.gz NIPBABHTOJUWHH-FQEVSTJZSA-N 0 0 455.743 4.904 20 0 JJADRN O=C(NC1CC(OCc2ccccc2)C1)c1c(F)ccc(I)c1Cl ZINC001435823345 1065010472 /nfs/dbraw/zinc/01/04/72/1065010472.db2.gz OTWOALMPSLZZCR-UHFFFAOYSA-N 0 0 459.686 4.561 20 0 JJADRN Cn1ccc([C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccc(Cl)cc2)n1 ZINC001435825502 1065010839 /nfs/dbraw/zinc/01/08/39/1065010839.db2.gz JPBISHRJJUEZKY-OAQYLSRUSA-N 0 0 450.951 4.907 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC001435825661 1065010905 /nfs/dbraw/zinc/01/09/05/1065010905.db2.gz ASQNNVPLGSSQRP-QGZVFWFLSA-N 0 0 454.368 4.802 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 ZINC001360122324 1065011210 /nfs/dbraw/zinc/01/12/10/1065011210.db2.gz CJFWGXJFIQGIIU-UHFFFAOYSA-N 0 0 462.616 4.528 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cccn2C)n1CCC(=O)N1CCCCCC1 ZINC001360122350 1065011355 /nfs/dbraw/zinc/01/13/55/1065011355.db2.gz DKSFMOOVLKCDFX-UHFFFAOYSA-N 0 0 454.644 4.553 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cc1 ZINC001360122400 1065011383 /nfs/dbraw/zinc/01/13/83/1065011383.db2.gz GHJMUOYZYCHFNR-UHFFFAOYSA-N 0 0 457.003 4.888 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360122427 1065011465 /nfs/dbraw/zinc/01/14/65/1065011465.db2.gz HBGXJFMGMWKMTR-HKUYNNGSSA-N 0 0 471.593 4.880 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001435827275 1065011421 /nfs/dbraw/zinc/01/14/21/1065011421.db2.gz LSEIQNZTQWQKRJ-IQGLISFBSA-N 0 0 455.624 4.821 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360122430 1065011833 /nfs/dbraw/zinc/01/18/33/1065011833.db2.gz HBGXJFMGMWKMTR-PKOBYXMFSA-N 0 0 471.593 4.880 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360122462 1065011935 /nfs/dbraw/zinc/01/19/35/1065011935.db2.gz ILCQMZUSTUVRHU-QGZVFWFLSA-N 0 0 459.616 4.610 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCOC1 ZINC001360122615 1065012209 /nfs/dbraw/zinc/01/22/09/1065012209.db2.gz MZBPIVWLALYEIP-VWLOTQADSA-N 0 0 454.640 4.871 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@](C)=O)CCC1 ZINC001360122998 1065012789 /nfs/dbraw/zinc/01/27/89/1065012789.db2.gz BBCMXLCKUVQWNX-ONTKHRELSA-N 0 0 478.728 4.974 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001435829288 1065012835 /nfs/dbraw/zinc/01/28/35/1065012835.db2.gz HNBOKWPFBHVMBR-PGRDOPGGSA-N 0 0 451.954 4.522 20 0 JJADRN Cc1ccc2c(CC(=O)N[C@H]3CCN(c4ccc(Br)c(C)c4)C3=O)coc2c1C ZINC001435829150 1065012907 /nfs/dbraw/zinc/01/29/07/1065012907.db2.gz AMNOZONIIWDQQY-FQEVSTJZSA-N 0 0 455.352 4.585 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1ncccc1Cl ZINC001435828990 1065012919 /nfs/dbraw/zinc/01/29/19/1065012919.db2.gz YOTABQGCDFWQHR-UHFFFAOYSA-N 0 0 457.893 4.992 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)c1C ZINC001435829656 1065013341 /nfs/dbraw/zinc/01/33/41/1065013341.db2.gz IABVNYAAZKIBOQ-SFHVURJKSA-N 0 0 459.590 4.965 20 0 JJADRN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccc(CC(C)C)c3)C2=O)ccc1Br ZINC001435829707 1065013532 /nfs/dbraw/zinc/01/35/32/1065013532.db2.gz IZNHUSOPOTUJMT-HTAPYJJXSA-N 0 0 457.412 4.981 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001360123227 1065013799 /nfs/dbraw/zinc/01/37/99/1065013799.db2.gz XKVROMWMOKTGAZ-UHFFFAOYSA-N 0 0 483.682 4.859 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccc2c(c1)CCCC2 ZINC001435830240 1065013807 /nfs/dbraw/zinc/01/38/07/1065013807.db2.gz FPGLBAPVKPKPJK-VAMGGRTRSA-N 0 0 454.636 4.723 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(O)c1 ZINC001360123316 1065013813 /nfs/dbraw/zinc/01/38/13/1065013813.db2.gz DSNCEMKCAMWCTH-UHFFFAOYSA-N 0 0 467.620 4.500 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F ZINC001360123296 1065013897 /nfs/dbraw/zinc/01/38/97/1065013897.db2.gz ZLLPDUNACLZSCU-MRXNPFEDSA-N 0 0 469.558 4.834 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccccc2Br)n1CC[C@@H]1COCCO1 ZINC001360123231 1065013930 /nfs/dbraw/zinc/01/39/30/1065013930.db2.gz XOHOUVNXVVBILU-QGZVFWFLSA-N 0 0 491.455 4.990 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1Br ZINC001435830607 1065014021 /nfs/dbraw/zinc/01/40/21/1065014021.db2.gz NCUDRZOOTAASJQ-KUHUBIRLSA-N 0 0 450.760 4.884 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001435831183 1065014458 /nfs/dbraw/zinc/01/44/58/1065014458.db2.gz KVWAHHWRXLSXSW-VPHKFGTKSA-N 0 0 454.636 4.939 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)cc2)cc1 ZINC001435831826 1065014472 /nfs/dbraw/zinc/01/44/72/1065014472.db2.gz MLMVVGCVHVIYFH-HSZRJFAPSA-N 0 0 451.592 4.554 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3nc4cccc(Cl)c4n3C)cc2)cc1 ZINC001435832699 1065014960 /nfs/dbraw/zinc/01/49/60/1065014960.db2.gz ZZRLNVPAFROTSW-UHFFFAOYSA-N 0 0 453.951 4.761 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccsc1 ZINC001360124216 1065016229 /nfs/dbraw/zinc/01/62/29/1065016229.db2.gz XOJSQUIJBQTONM-HSZRJFAPSA-N 0 0 453.637 4.710 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cn1 ZINC001435837272 1065016374 /nfs/dbraw/zinc/01/63/74/1065016374.db2.gz RPCJBEIUCJGZJX-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 ZINC001360124961 1065017136 /nfs/dbraw/zinc/01/71/36/1065017136.db2.gz SBGRORSFUIDTSF-OAQYLSRUSA-N 0 0 458.400 4.815 20 0 JJADRN CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CCO2 ZINC001435839298 1065017175 /nfs/dbraw/zinc/01/71/75/1065017175.db2.gz YBXMMZDRFKWUAW-GOMGBNIMSA-N 0 0 452.982 4.937 20 0 JJADRN CCC(C)(C)OCc1ccccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001435839149 1065017461 /nfs/dbraw/zinc/01/74/61/1065017461.db2.gz WPUNZEJYXRFGCY-UHFFFAOYSA-N 0 0 458.356 4.503 20 0 JJADRN COC(=O)c1sc(NC(=O)Cc2ccc(OCc3ccncc3)cc2)nc1C1CCCC1 ZINC001435840069 1065017794 /nfs/dbraw/zinc/01/77/94/1065017794.db2.gz BQCWJSXGQFQYRW-UHFFFAOYSA-N 0 0 451.548 4.743 20 0 JJADRN O=C(CCn1cnc2ccccc2c1=O)N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001435841217 1065018399 /nfs/dbraw/zinc/01/83/99/1065018399.db2.gz LTAMFHQHKAHECU-QGZVFWFLSA-N 0 0 457.374 4.615 20 0 JJADRN COC(=O)c1sc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)nc1C1CCCC1 ZINC001435841163 1065018471 /nfs/dbraw/zinc/01/84/71/1065018471.db2.gz KXVACCMMIRYTCL-UHFFFAOYSA-N 0 0 450.948 4.587 20 0 JJADRN COC(=O)c1sc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)nc1C1CCCC1 ZINC001435841815 1065018730 /nfs/dbraw/zinc/01/87/30/1065018730.db2.gz SCRZUCWGGGPXSK-UHFFFAOYSA-N 0 0 457.531 4.683 20 0 JJADRN Cc1cc(Br)c(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1Cl ZINC001435841582 1065018923 /nfs/dbraw/zinc/01/89/23/1065018923.db2.gz KQNXZKORHGPRER-UHFFFAOYSA-N 0 0 452.704 4.588 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)n(C)nc1C(F)(F)F ZINC001435841629 1065018935 /nfs/dbraw/zinc/01/89/35/1065018935.db2.gz MIPMBTODFQMXDJ-HNNXBMFYSA-N 0 0 458.525 4.893 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(COC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 ZINC001435843699 1065019956 /nfs/dbraw/zinc/01/99/56/1065019956.db2.gz TVXBTBWMNSALNY-UHFFFAOYSA-N 0 0 457.324 4.947 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(OCC2CC2)cc1 ZINC001360126750 1065020720 /nfs/dbraw/zinc/02/07/20/1065020720.db2.gz FIASGAQYYLMYGV-UHFFFAOYSA-N 0 0 456.608 4.611 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360126648 1065020907 /nfs/dbraw/zinc/02/09/07/1065020907.db2.gz DNZCTTGENUTAOK-UHFFFAOYSA-N 0 0 455.402 4.970 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1F ZINC001435849525 1065022105 /nfs/dbraw/zinc/02/21/05/1065022105.db2.gz KIYLTVQUPYJGQV-HXUWFJFHSA-N 0 0 458.958 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435849984 1065022475 /nfs/dbraw/zinc/02/24/75/1065022475.db2.gz KPZCMPVTDSZMFH-KBPBESRZSA-N 0 0 452.420 4.653 20 0 JJADRN C/C=C/COc1cccc(CC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC001435850055 1065022604 /nfs/dbraw/zinc/02/26/04/1065022604.db2.gz KZCLDUIJYRHHJE-LZKGHRGQSA-N 0 0 459.590 4.646 20 0 JJADRN O=C(Cc1ccn(CC(F)(F)F)n1)Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCC2 ZINC001435850705 1065022632 /nfs/dbraw/zinc/02/26/32/1065022632.db2.gz FNNRDEWCBXHHIX-UHFFFAOYSA-N 0 0 451.445 4.547 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CSCc1cccc(Cl)c1 ZINC001435851076 1065023087 /nfs/dbraw/zinc/02/30/87/1065023087.db2.gz ZVWVXCWJRDRLBG-JOCHJYFZSA-N 0 0 456.011 4.976 20 0 JJADRN C[C@@H](CC(=O)OCc1nc(-c2c(F)cccc2F)cs1)S(=O)(=O)c1ccc(F)cc1 ZINC001435850852 1065023213 /nfs/dbraw/zinc/02/32/13/1065023213.db2.gz DZKQZYZSOWBZPE-LBPRGKRZSA-N 0 0 455.479 4.523 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccncc2)c1 ZINC001435851940 1065023719 /nfs/dbraw/zinc/02/37/19/1065023719.db2.gz IJLBEKOICMSYGY-VRUMLPLGSA-N 0 0 452.551 4.760 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Oc3cc(F)cc(F)c3)nnc2-c2ccco2)cc1 ZINC001360129121 1065024431 /nfs/dbraw/zinc/02/44/31/1065024431.db2.gz FRHOZPSMGNVWFZ-UHFFFAOYSA-N 0 0 457.458 4.902 20 0 JJADRN CC(=O)N[C@H](CC(=O)OCc1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F ZINC001435852944 1065024732 /nfs/dbraw/zinc/02/47/32/1065024732.db2.gz QZMOHYAIJBKRKP-MRXNPFEDSA-N 0 0 452.429 4.677 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)[C@H]1CCCOC1 ZINC001435854580 1065026072 /nfs/dbraw/zinc/02/60/72/1065026072.db2.gz LPUVWKOUUOOAMF-URXFXBBRSA-N 0 0 453.579 4.651 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1CCCOC1 ZINC001435854579 1065026164 /nfs/dbraw/zinc/02/61/64/1065026164.db2.gz LPUVWKOUUOOAMF-QPPBQGQZSA-N 0 0 453.579 4.651 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)OCO2 ZINC001435855337 1065026549 /nfs/dbraw/zinc/02/65/49/1065026549.db2.gz MYLQYYOTOFLCHZ-SFHVURJKSA-N 0 0 452.429 4.947 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)c2)n1 ZINC001360131327 1065026593 /nfs/dbraw/zinc/02/65/93/1065026593.db2.gz KQNMUZTYIFFHON-HSZRJFAPSA-N 0 0 454.615 4.752 20 0 JJADRN O=C(c1ccccc1OCCOc1ccccc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435858920 1065028774 /nfs/dbraw/zinc/02/87/74/1065028774.db2.gz JSFOOUOCGIMWMF-GOSISDBHSA-N 0 0 459.468 4.837 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435860808 1065029560 /nfs/dbraw/zinc/02/95/60/1065029560.db2.gz WMFWYFWLIIKBCN-GFCCVEGCSA-N 0 0 450.686 4.724 20 0 JJADRN CC(=O)NC1CCC(N(C)C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)CC1 ZINC001435862813 1065030529 /nfs/dbraw/zinc/03/05/29/1065030529.db2.gz NGSTZHDHNPLPAU-UHFFFAOYSA-N 0 0 453.530 4.965 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1 ZINC001360134684 1065030733 /nfs/dbraw/zinc/03/07/33/1065030733.db2.gz PGBGRHGBSSDHLW-LJQANCHMSA-N 0 0 452.576 4.903 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1 ZINC001435862236 1065030706 /nfs/dbraw/zinc/03/07/06/1065030706.db2.gz HZVHMOQDZTYSBJ-XMMPIXPASA-N 0 0 453.558 4.848 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1C[C@H](C)CSc2ccc(Cl)cc21 ZINC001435862101 1065030765 /nfs/dbraw/zinc/03/07/65/1065030765.db2.gz HTZFKLRALKBGPA-ZDUSSCGKSA-N 0 0 456.015 4.867 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC001435863297 1065031013 /nfs/dbraw/zinc/03/10/13/1065031013.db2.gz SEZGZCPCQOMQKG-UHFFFAOYSA-N 0 0 458.852 4.994 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC001435863537 1065031038 /nfs/dbraw/zinc/03/10/38/1065031038.db2.gz UFYMEDJUDJLDDY-UHFFFAOYSA-N 0 0 454.889 4.691 20 0 JJADRN O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435863618 1065031153 /nfs/dbraw/zinc/03/11/53/1065031153.db2.gz PKKMHMBOFUFGCD-SFHVURJKSA-N 0 0 458.402 4.977 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@H](C)Cc2cnn(C)c2)c1NC(=O)OC(C)(C)C ZINC001435863916 1065031216 /nfs/dbraw/zinc/03/12/16/1065031216.db2.gz YWYMDYSCKSHZOD-CYBMUJFWSA-N 0 0 451.365 4.655 20 0 JJADRN Cn1cnc(-c2cccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)c2)n1 ZINC001435864706 1065031646 /nfs/dbraw/zinc/03/16/46/1065031646.db2.gz PGFRXWKCMHTOEZ-UHFFFAOYSA-N 0 0 454.353 4.549 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC001360137118 1065033142 /nfs/dbraw/zinc/03/31/42/1065033142.db2.gz QSTJAGRXHIYJCR-UHFFFAOYSA-N 0 0 456.995 4.918 20 0 JJADRN CC(C)N1CCc2nc(NC(=O)CCCCOc3ccc(Br)cc3)sc2C1 ZINC001435865771 1065033148 /nfs/dbraw/zinc/03/31/48/1065033148.db2.gz MARKGEVDJHUCAW-UHFFFAOYSA-N 0 0 452.418 4.860 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)ccc1OCCOc1ccccc1 ZINC001435866256 1065033831 /nfs/dbraw/zinc/03/38/31/1065033831.db2.gz SHMPOQRSVPWYJF-HXUWFJFHSA-N 0 0 455.457 4.685 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435868061 1065034888 /nfs/dbraw/zinc/03/48/88/1065034888.db2.gz JOZXJVPCJAQUKN-HJPURHCSSA-N 0 0 453.970 4.726 20 0 JJADRN CS[C@@H](CNC(=O)c1cccc(Br)c1I)C(C)(C)C ZINC001435867773 1065034952 /nfs/dbraw/zinc/03/49/52/1065034952.db2.gz JWBJJUUVMXSEQI-NSHDSACASA-N 0 0 456.187 4.561 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435868062 1065035191 /nfs/dbraw/zinc/03/51/91/1065035191.db2.gz JOZXJVPCJAQUKN-MWTRTKDXSA-N 0 0 453.970 4.726 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435868064 1065035387 /nfs/dbraw/zinc/03/53/87/1065035387.db2.gz JOZXJVPCJAQUKN-WAIKUNEKSA-N 0 0 453.970 4.726 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)CCc3cc(Br)c(Br)s3)cc2C1 ZINC001435870562 1065035744 /nfs/dbraw/zinc/03/57/44/1065035744.db2.gz MJDQZKIMMMKPAZ-ZDUSSCGKSA-N 0 0 459.203 4.958 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(C)c1 ZINC001435871920 1065036728 /nfs/dbraw/zinc/03/67/28/1065036728.db2.gz KQRGCSXCSMRBMI-SFTDATJTSA-N 0 0 452.595 4.882 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CCc2cc(Br)ccc2C1 ZINC001435871986 1065036788 /nfs/dbraw/zinc/03/67/88/1065036788.db2.gz LLBVHZRSDIFUKM-NRFANRHFSA-N 0 0 457.368 4.525 20 0 JJADRN CCCOc1ccc(CNC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001435872953 1065037082 /nfs/dbraw/zinc/03/70/82/1065037082.db2.gz QRHRAQBMUXBJEX-UHFFFAOYSA-N 0 0 458.521 4.980 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001435873210 1065037277 /nfs/dbraw/zinc/03/72/77/1065037277.db2.gz YKCJQAOFXHGTFH-AREMUKBSSA-N 0 0 452.551 4.814 20 0 JJADRN Cc1ccc([C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)C2)cc1 ZINC001435873653 1065037655 /nfs/dbraw/zinc/03/76/55/1065037655.db2.gz VTNMZEBRNKNFFP-XMMPIXPASA-N 0 0 454.636 4.535 20 0 JJADRN O=C(NCC1(c2cccc(F)c2F)CCCC1)c1ccc(I)cc1F ZINC001435875858 1065038752 /nfs/dbraw/zinc/03/87/52/1065038752.db2.gz NESVGRQWKBPPRD-UHFFFAOYSA-N 0 0 459.249 4.950 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC001435876269 1065038803 /nfs/dbraw/zinc/03/88/03/1065038803.db2.gz SWECMRQVRLVVDD-JOCHJYFZSA-N 0 0 451.661 4.703 20 0 JJADRN COc1ccc(Br)c(OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC001435877620 1065039486 /nfs/dbraw/zinc/03/94/86/1065039486.db2.gz GPAWPRLMQJJATO-CQSZACIVSA-N 0 0 452.732 4.569 20 0 JJADRN Cc1noc(C[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)c2ccccc2)n1 ZINC001435876824 1065039517 /nfs/dbraw/zinc/03/95/17/1065039517.db2.gz GNPVQFFESXKIIN-SFHVURJKSA-N 0 0 456.333 4.893 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2ccc(F)cc2)n(C)n1 ZINC001360141172 1065039848 /nfs/dbraw/zinc/03/98/48/1065039848.db2.gz HKHBPXFWUARHFF-IBGZPJMESA-N 0 0 450.297 4.519 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(-n4cccc4)ccc3F)cc2)C1 ZINC001360141454 1065040327 /nfs/dbraw/zinc/04/03/27/1065040327.db2.gz KINFVOZDMAVUIU-ROUUACIJSA-N 0 0 455.555 4.535 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)CSCc1ccccn1)C1CC1 ZINC001435880765 1065041476 /nfs/dbraw/zinc/04/14/76/1065041476.db2.gz CSIPGJRRTSETCQ-FQEVSTJZSA-N 0 0 453.391 4.917 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)C1CC1 ZINC001435881827 1065042309 /nfs/dbraw/zinc/04/23/09/1065042309.db2.gz MMYZBKOEWPCJTK-KSMMKXTCSA-N 0 0 456.366 4.568 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)CCc1nc(C(C)C)no1)C1CC1 ZINC001435882417 1065043030 /nfs/dbraw/zinc/04/30/30/1065043030.db2.gz PUEKFAUIDSIFSA-IBGZPJMESA-N 0 0 454.354 4.728 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435882019 1065043043 /nfs/dbraw/zinc/04/30/43/1065043043.db2.gz FKGWPUDIXKLMFE-UHFFFAOYSA-N 0 0 452.356 4.562 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cc1ccc(Br)cc1C ZINC001360142934 1065042916 /nfs/dbraw/zinc/04/29/16/1065042916.db2.gz ZZAOTGMSXCQZLP-GOSISDBHSA-N 0 0 459.167 4.980 20 0 JJADRN O=C(OCc1ccc(I)c(Cl)c1)c1cncnc1-c1ccccc1 ZINC001435883618 1065043393 /nfs/dbraw/zinc/04/33/93/1065043393.db2.gz ITSZTJFTPIVIEJ-UHFFFAOYSA-N 0 0 450.663 4.759 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Oc2cccc(F)c2)c1 ZINC001360143934 1065044535 /nfs/dbraw/zinc/04/45/35/1065044535.db2.gz WVBPFBRUMHFWBO-UHFFFAOYSA-N 0 0 456.539 4.577 20 0 JJADRN CCCCc1nc(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)c(C(=O)OCC)[nH]1 ZINC001435886698 1065044446 /nfs/dbraw/zinc/04/44/46/1065044446.db2.gz GSUPGVOKOHPLSV-HNNXBMFYSA-N 0 0 450.377 4.899 20 0 JJADRN CSc1ncc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC001435887795 1065044766 /nfs/dbraw/zinc/04/47/66/1065044766.db2.gz AZAXLPYRYWLUNR-UHFFFAOYSA-N 0 0 453.461 4.903 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC001435887384 1065044781 /nfs/dbraw/zinc/04/47/81/1065044781.db2.gz GZMYYTHVGSCJBR-UHFFFAOYSA-N 0 0 456.995 4.700 20 0 JJADRN CCn1ccc(CN(C)C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 ZINC001435888105 1065045351 /nfs/dbraw/zinc/04/53/51/1065045351.db2.gz QBNSYTWQXYCFSI-UHFFFAOYSA-N 0 0 454.368 4.724 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)cc1C ZINC001435888262 1065045567 /nfs/dbraw/zinc/04/55/67/1065045567.db2.gz CHORVYYMUAETOY-UHFFFAOYSA-N 0 0 459.424 4.583 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1NC(=O)c1ccccc1 ZINC001360145417 1065047400 /nfs/dbraw/zinc/04/74/00/1065047400.db2.gz OYHFDDVYUQCUIP-UHFFFAOYSA-N 0 0 450.560 4.823 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2c(Cl)cccc2OC)[C@H]1c1ccc(OC)cc1 ZINC001435892452 1065048476 /nfs/dbraw/zinc/04/84/76/1065048476.db2.gz VQNBICYKSFHSIC-YADARESESA-N 0 0 458.986 4.753 20 0 JJADRN O=C(CCSc1ccccc1Br)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC001435893535 1065049609 /nfs/dbraw/zinc/04/96/09/1065049609.db2.gz BTGWZPLSMJPTER-UHFFFAOYSA-N 0 0 457.397 4.699 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)[C@@H]1CCOC2(CCC2)C1 ZINC001435895479 1065049926 /nfs/dbraw/zinc/04/99/26/1065049926.db2.gz QNGOGKFJILHZPZ-GFCCVEGCSA-N 0 0 454.226 4.703 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435894836 1065049988 /nfs/dbraw/zinc/04/99/88/1065049988.db2.gz XWTXIPIPBZTREP-DRHHIBKESA-N 0 0 452.998 4.877 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC001435895077 1065050016 /nfs/dbraw/zinc/05/00/16/1065050016.db2.gz NOVONEQBEXSYFR-OAHLLOKOSA-N 0 0 459.568 4.765 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435894835 1065050083 /nfs/dbraw/zinc/05/00/83/1065050083.db2.gz XWTXIPIPBZTREP-BCXLYBDUSA-N 0 0 452.998 4.877 20 0 JJADRN CCO[C@H](C(=O)OCc1ccc(I)c(C(F)(F)F)c1)C1CCCC1 ZINC001435896008 1065050460 /nfs/dbraw/zinc/05/04/60/1065050460.db2.gz VQNJRAJDKVSJIO-HNNXBMFYSA-N 0 0 456.242 4.949 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001360148705 1065051212 /nfs/dbraw/zinc/05/12/12/1065051212.db2.gz ZYSUZKIGAPUMJU-IEZWGBDMSA-N 0 0 454.489 4.552 20 0 JJADRN COc1cc(Cl)c(Cl)cc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001435898183 1065051230 /nfs/dbraw/zinc/05/12/30/1065051230.db2.gz PRVYKXFVLSYHJP-UHFFFAOYSA-N 0 0 451.350 4.648 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)COc2ccc(Br)c(C)c2)c1 ZINC001435898642 1065051679 /nfs/dbraw/zinc/05/16/79/1065051679.db2.gz YLQBGZGFEVHFFC-UHFFFAOYSA-N 0 0 457.162 4.566 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@H](c2ccnn2C)C(C)C)cc1Br ZINC001435898775 1065051873 /nfs/dbraw/zinc/05/18/73/1065051873.db2.gz CXUWMXCXXLWWRO-AWEZNQCLSA-N 0 0 457.210 4.677 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)C1(c3ccc(Br)cc3)CCCC1)CCO2 ZINC001435898646 1065051960 /nfs/dbraw/zinc/05/19/60/1065051960.db2.gz ZXXVVUDMHGUKER-UHFFFAOYSA-N 0 0 458.352 4.863 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435900704 1065053129 /nfs/dbraw/zinc/05/31/29/1065053129.db2.gz COZDPLCXORVHAL-FZWACIFYSA-N 0 0 453.336 4.812 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001435900845 1065053247 /nfs/dbraw/zinc/05/32/47/1065053247.db2.gz QKKYRGZLLNIDQE-UHFFFAOYSA-N 0 0 453.368 4.710 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)Cc1ccc(Cl)cc1Cl ZINC001360150375 1065053838 /nfs/dbraw/zinc/05/38/38/1065053838.db2.gz AERQZFCYDHUITA-VQIMIIECSA-N 0 0 454.419 4.886 20 0 JJADRN CCc1c(C(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001360150436 1065054050 /nfs/dbraw/zinc/05/40/50/1065054050.db2.gz BTXGADIDDNVXPQ-IBGZPJMESA-N 0 0 450.583 4.719 20 0 JJADRN Cc1c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903613 1065054659 /nfs/dbraw/zinc/05/46/59/1065054659.db2.gz PZRSBRXGGRLSMH-UHFFFAOYSA-N 0 0 450.371 4.720 20 0 JJADRN Cc1c(NC(=O)C2(CCOCc3ccccc3)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903882 1065054930 /nfs/dbraw/zinc/05/49/30/1065054930.db2.gz YBUYSMXPJDWREY-UHFFFAOYSA-N 0 0 458.484 4.979 20 0 JJADRN Cc1c(NC(=O)c2ccc(C)c(-c3cnn(C)c3)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903892 1065055043 /nfs/dbraw/zinc/05/50/43/1065055043.db2.gz YWRQGQZGVGPBGZ-UHFFFAOYSA-N 0 0 454.456 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCOc1c(C)cccc1C ZINC001545894077 1065055374 /nfs/dbraw/zinc/05/53/74/1065055374.db2.gz NWCWBZIRNKFKIL-SFHVURJKSA-N 0 0 481.563 4.671 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC[C@H]1c1ccc(C)o1 ZINC001435905261 1065055439 /nfs/dbraw/zinc/05/54/39/1065055439.db2.gz VBFXFNRVDCRLFC-VQTJNVASSA-N 0 0 457.958 4.754 20 0 JJADRN CSC[C@H](C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001360151903 1065055754 /nfs/dbraw/zinc/05/57/54/1065055754.db2.gz SXFCCFVREPVACX-OCYFJXFZSA-N 0 0 451.588 4.651 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435906443 1065055774 /nfs/dbraw/zinc/05/57/74/1065055774.db2.gz HGMBAWWAXOPHLJ-HSQYWUDLSA-N 0 0 458.986 4.764 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001435906049 1065055789 /nfs/dbraw/zinc/05/57/89/1065055789.db2.gz CRJISBGRBQDUHV-FOIQADDNSA-N 0 0 455.967 4.580 20 0 JJADRN COC(=O)[C@]1(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[C@@H]1c1ccccc1 ZINC001435907527 1065056695 /nfs/dbraw/zinc/05/66/95/1065056695.db2.gz VNAIBIANIYTURV-VGOFRKELSA-N 0 0 451.872 4.854 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1cc(F)cc(F)c1Br)N1CCCC1 ZINC001435907737 1065056753 /nfs/dbraw/zinc/05/67/53/1065056753.db2.gz CVRBPZVLTHQZTA-UHFFFAOYSA-N 0 0 455.324 4.694 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)c3cc4ccccc4s3)CC2)c1 ZINC001435908535 1065057011 /nfs/dbraw/zinc/05/70/11/1065057011.db2.gz IMOUZFIREWITTO-INIZCTEOSA-N 0 0 452.576 4.648 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)c3cc4ccccc4s3)CC2)c1 ZINC001435908536 1065057184 /nfs/dbraw/zinc/05/71/84/1065057184.db2.gz IMOUZFIREWITTO-MRXNPFEDSA-N 0 0 452.576 4.648 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001545894097 1065057233 /nfs/dbraw/zinc/05/72/33/1065057233.db2.gz OLNCLJMWGAVQDY-JOCHJYFZSA-N 0 0 481.689 4.503 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)cc1I ZINC001435908002 1065057273 /nfs/dbraw/zinc/05/72/73/1065057273.db2.gz QZLDJNGRHQJZSQ-GTNSWQLSSA-N 0 0 459.686 4.686 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)c1c(F)cccc1I ZINC001435908273 1065057285 /nfs/dbraw/zinc/05/72/85/1065057285.db2.gz FYTJDVKPLRMXEJ-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001435909277 1065057990 /nfs/dbraw/zinc/05/79/90/1065057990.db2.gz JDTYHBMQTSWEKI-MWTRTKDXSA-N 0 0 459.384 4.577 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)c(F)c1 ZINC001435909078 1065058036 /nfs/dbraw/zinc/05/80/36/1065058036.db2.gz WPZQMJRDSVBCFB-PIGZYNQJSA-N 0 0 459.686 4.686 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001435910025 1065058444 /nfs/dbraw/zinc/05/84/44/1065058444.db2.gz SAZULFOHJFVBDT-UHFFFAOYSA-N 0 0 458.324 4.843 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)c1ccccc1 ZINC001435909641 1065058502 /nfs/dbraw/zinc/05/85/02/1065058502.db2.gz AKAKZYQYFNKHEG-RUZDIDTESA-N 0 0 458.986 4.966 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC(F)F)n2C[C@H]2CCC(F)(F)C2)c2ccccc2c1=O ZINC001360157402 1065058898 /nfs/dbraw/zinc/05/88/98/1065058898.db2.gz YSVFKAJGNLOYHO-HNNXBMFYSA-N 0 0 480.510 4.763 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2Cc2ccncc2Cl)c2ccccc2c1=O ZINC001360157404 1065058911 /nfs/dbraw/zinc/05/89/11/1065058911.db2.gz YVTYVXIBNPGDRI-UHFFFAOYSA-N 0 0 480.016 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001545894108 1065058992 /nfs/dbraw/zinc/05/89/92/1065058992.db2.gz OUAYAHXSKONZGE-RYRKJORJSA-N 0 0 475.584 4.611 20 0 JJADRN CCCCCC[C@](C)(NC(=O)c1cc(I)c(C)cc1C)C(=O)OCC ZINC001360158024 1065059429 /nfs/dbraw/zinc/05/94/29/1065059429.db2.gz CXLNWQGLYKLVBM-FQEVSTJZSA-N 0 0 459.368 4.930 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)c2ccc([C@H]3CCCOC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001360161100 1065059929 /nfs/dbraw/zinc/05/99/29/1065059929.db2.gz BYWSEEIVCCEWDZ-LADGPHEKSA-N 0 0 457.014 4.816 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)[C@H](C)Oc2ccccc2Br)c1 ZINC001360161046 1065059955 /nfs/dbraw/zinc/05/99/55/1065059955.db2.gz AIVBYNRWPQQHNR-AWEZNQCLSA-N 0 0 452.370 4.651 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161621 1065060365 /nfs/dbraw/zinc/06/03/65/1065060365.db2.gz MODACZHPJKHHEJ-IERDGZPVSA-N 0 0 451.394 4.729 20 0 JJADRN COc1ccc2oc(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)c2c1 ZINC001360161410 1065060392 /nfs/dbraw/zinc/06/03/92/1065060392.db2.gz JBLGFLDPSNNYBB-NRFANRHFSA-N 0 0 456.970 4.985 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)on2)cc1 ZINC001360161412 1065060412 /nfs/dbraw/zinc/06/04/12/1065060412.db2.gz JBSPIWKTEMNFRH-JOCHJYFZSA-N 0 0 453.970 4.885 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)Nc4cccc(C(C)(F)F)c4)cnc32)c(OC)c1 ZINC001435913944 1065060822 /nfs/dbraw/zinc/06/08/22/1065060822.db2.gz ITRJNXGFYYQPBL-UHFFFAOYSA-N 0 0 452.461 4.861 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)C(F)(F)c2ccc(Br)cc2)c1 ZINC001360161997 1065060794 /nfs/dbraw/zinc/06/07/94/1065060794.db2.gz RSICHSYXAWFUJH-UHFFFAOYSA-N 0 0 458.324 4.976 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360162045 1065060907 /nfs/dbraw/zinc/06/09/07/1065060907.db2.gz JIANKIBUGNTKQV-DLBZAZTESA-N 0 0 451.537 4.968 20 0 JJADRN Cc1cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ccc1Cl ZINC001360162146 1065060934 /nfs/dbraw/zinc/06/09/34/1065060934.db2.gz UCDIMVUTVSABAU-NRFANRHFSA-N 0 0 451.394 4.649 20 0 JJADRN CCn1cc(Cl)cc1C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001435913954 1065060932 /nfs/dbraw/zinc/06/09/32/1065060932.db2.gz ONWIMTWECVZTSA-INIZCTEOSA-N 0 0 455.780 4.754 20 0 JJADRN CSc1cc(C)c(C(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)o1 ZINC001435914180 1065060956 /nfs/dbraw/zinc/06/09/56/1065060956.db2.gz PSEWXRZVOQADLD-OAHLLOKOSA-N 0 0 454.386 4.902 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360162489 1065061297 /nfs/dbraw/zinc/06/12/97/1065061297.db2.gz NQDIQMQCPCFWFX-DLBZAZTESA-N 0 0 451.537 4.968 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@H]3CC(c4ccccn4)=NO3)cc2Cl)n1 ZINC001435914521 1065061381 /nfs/dbraw/zinc/06/13/81/1065061381.db2.gz ZKEHADSUEWVSJE-QGZVFWFLSA-N 0 0 457.943 4.808 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC001435917344 1065062349 /nfs/dbraw/zinc/06/23/49/1065062349.db2.gz JJACTSQMRLQRHS-KSSFIOAISA-N 0 0 450.988 4.949 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(OC(C)C)cc1 ZINC001545894165 1065062379 /nfs/dbraw/zinc/06/23/79/1065062379.db2.gz QPHMRIPIZHZSGH-GOSISDBHSA-N 0 0 463.573 4.514 20 0 JJADRN C[C@H]1Oc2ccccc2N(CCC(=O)Oc2c(Cl)cc(Br)cc2Cl)C1=O ZINC001360167624 1065063169 /nfs/dbraw/zinc/06/31/69/1065063169.db2.gz TWSRWBTUIGMIDI-SNVBAGLBSA-N 0 0 459.123 4.866 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919856 1065063480 /nfs/dbraw/zinc/06/34/80/1065063480.db2.gz DYQSWVKAHZDKRA-HFGNEKBZSA-N 0 0 456.627 4.756 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360169514 1065063607 /nfs/dbraw/zinc/06/36/07/1065063607.db2.gz IQOLOQJZYNHBTF-FXAWDEMLSA-N 0 0 480.028 4.687 20 0 JJADRN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccnc1Oc1ccc(F)cc1Br ZINC001360170034 1065064505 /nfs/dbraw/zinc/06/45/05/1065064505.db2.gz CDLDVOPQIOGBJS-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1Cc1ccc(Cl)cc1F ZINC001360169959 1065064795 /nfs/dbraw/zinc/06/47/95/1065064795.db2.gz ZBQSSOHTAVIEPF-UHFFFAOYSA-N 0 0 456.374 4.608 20 0 JJADRN COC(=O)c1cc(NC(=O)CCc2cc(Br)ccc2F)ccc1Br ZINC001435921773 1065064869 /nfs/dbraw/zinc/06/48/69/1065064869.db2.gz BFHJJBWWCOJYMU-UHFFFAOYSA-N 0 0 459.109 4.709 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Nc1ccc(C(N)=O)c(N3CCCCC3)c1)ccc2Br ZINC001360170909 1065065044 /nfs/dbraw/zinc/06/50/44/1065065044.db2.gz RUMYLGAZFRFDTO-UHFFFAOYSA-N 0 0 456.340 4.845 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1Br ZINC001435923382 1065065396 /nfs/dbraw/zinc/06/53/96/1065065396.db2.gz WZDMZHMULXJEFG-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2csc(Br)c2)n1CCc1ccc(Cl)cc1 ZINC001360172940 1065065551 /nfs/dbraw/zinc/06/55/51/1065065551.db2.gz YLRFUZUDLYCOMC-UHFFFAOYSA-N 0 0 496.862 4.773 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360173418 1065065566 /nfs/dbraw/zinc/06/55/66/1065065566.db2.gz XQUZFSAKPNTTTR-ICSRJNTNSA-N 0 0 462.038 4.547 20 0 JJADRN COc1ccc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C(=O)NC2CC2)c1 ZINC001360172253 1065065636 /nfs/dbraw/zinc/06/56/36/1065065636.db2.gz UUIRKKGXJQENJG-UHFFFAOYSA-N 0 0 457.246 4.621 20 0 JJADRN COc1ccc(C(=O)O[C@@H](c2ccccc2)C2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC001435923677 1065065750 /nfs/dbraw/zinc/06/57/50/1065065750.db2.gz JMEPKFRYNQZUQD-DEOSSOPVSA-N 0 0 457.592 4.958 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1C(F)(F)F ZINC001435924071 1065065834 /nfs/dbraw/zinc/06/58/34/1065065834.db2.gz XGVRILUTZOVPGR-UHFFFAOYSA-N 0 0 457.861 4.509 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](C)Cc1ccc(OC)cc1 ZINC001545894206 1065066145 /nfs/dbraw/zinc/06/61/45/1065066145.db2.gz RFAILKZWEYNFHF-PKOBYXMFSA-N 0 0 495.590 4.863 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@H](c3ccccc3)C3CCCCC3)n(C)c2)C1 ZINC001435925130 1065066778 /nfs/dbraw/zinc/06/67/78/1065066778.db2.gz OVBHMALHHHMBBN-YADARESESA-N 0 0 458.624 4.924 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CCOC1CCCCCC1 ZINC001360176829 1065066878 /nfs/dbraw/zinc/06/68/78/1065066878.db2.gz FTUWYKUWQWBVBJ-ILBGXUMGSA-N 0 0 497.684 4.760 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CCc2ccc(CC(C)C)cc2)CC1 ZINC001360178675 1065067348 /nfs/dbraw/zinc/06/73/48/1065067348.db2.gz XSTPSTCCVFYXRK-QFIPXVFZSA-N 0 0 450.623 4.518 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCOc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360179067 1065067409 /nfs/dbraw/zinc/06/74/09/1065067409.db2.gz VBLMHNNRHWVIET-FUHWJXTLSA-N 0 0 485.526 4.754 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCOc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360179066 1065067454 /nfs/dbraw/zinc/06/74/54/1065067454.db2.gz VBLMHNNRHWVIET-AEFFLSMTSA-N 0 0 485.526 4.754 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(Br)ccc1Br ZINC001360179871 1065068019 /nfs/dbraw/zinc/06/80/19/1065068019.db2.gz YRAPHMQEUOJDOX-UHFFFAOYSA-N 0 0 453.159 4.906 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Oc3cccnn3)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001360180921 1065068396 /nfs/dbraw/zinc/06/83/96/1065068396.db2.gz LHLBYPGSVQOBTE-IERDGZPVSA-N 0 0 457.317 4.734 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930126 1065068589 /nfs/dbraw/zinc/06/85/89/1065068589.db2.gz CXWNAIUTGIBBJV-YVEFUNNKSA-N 0 0 457.379 4.700 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1C1CC(C(C)(C)C)C1 ZINC001360181618 1065068863 /nfs/dbraw/zinc/06/88/63/1065068863.db2.gz LGADARZPVGOKKQ-VTLFHKLASA-N 0 0 471.621 4.738 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1nc(C(C)(C)C)cs1 ZINC001360182240 1065069191 /nfs/dbraw/zinc/06/91/91/1065069191.db2.gz JBVMKOCPCWPVTL-LBPRGKRZSA-N 0 0 458.049 4.662 20 0 JJADRN C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC001360182136 1065069260 /nfs/dbraw/zinc/06/92/60/1065069260.db2.gz FSFBHCGFXXLEQD-HNNXBMFYSA-N 0 0 452.617 4.934 20 0 JJADRN COc1ccc(Br)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC001360182351 1065069363 /nfs/dbraw/zinc/06/93/63/1065069363.db2.gz MXFAWSLUINZHLF-UHFFFAOYSA-N 0 0 451.748 4.990 20 0 JJADRN Cc1ccc(I)cc1NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001435932519 1065069523 /nfs/dbraw/zinc/06/95/23/1065069523.db2.gz HHBYNCZHISRXRH-UHFFFAOYSA-N 0 0 453.295 4.717 20 0 JJADRN O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932640 1065069573 /nfs/dbraw/zinc/06/95/73/1065069573.db2.gz JHWSXWNZVQJTKH-FPOVZHCZSA-N 0 0 455.396 4.868 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@@H](C)c1nccs1 ZINC001360182797 1065069561 /nfs/dbraw/zinc/06/95/61/1065069561.db2.gz DSKPVNPTIMGHLT-MRXNPFEDSA-N 0 0 470.624 4.538 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001435933188 1065070024 /nfs/dbraw/zinc/07/00/24/1065070024.db2.gz NSXIYQWKBVTBOS-AIADIJKESA-N 0 0 450.844 4.754 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1CCc1c[nH]c2cc(F)ccc12 ZINC001360183175 1065070321 /nfs/dbraw/zinc/07/03/21/1065070321.db2.gz QEOKLUAHOUTMNP-UHFFFAOYSA-N 0 0 468.602 4.756 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360183354 1065070614 /nfs/dbraw/zinc/07/06/14/1065070614.db2.gz UJQBRGVCTUTQJI-UHFFFAOYSA-N 0 0 492.521 4.627 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC001435935471 1065071191 /nfs/dbraw/zinc/07/11/91/1065071191.db2.gz UEWNZLJMQAUSDV-QGZVFWFLSA-N 0 0 459.516 4.709 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC001360187394 1065072068 /nfs/dbraw/zinc/07/20/68/1065072068.db2.gz CIVSKMBVZOFNIU-LOSJGSFVSA-N 0 0 453.533 4.524 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC001360187428 1065072119 /nfs/dbraw/zinc/07/21/19/1065072119.db2.gz DICDFAJSPPCCOS-JOCHJYFZSA-N 0 0 458.940 4.928 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360187404 1065072140 /nfs/dbraw/zinc/07/21/40/1065072140.db2.gz CQSZWXHYPUMPLK-CQSZACIVSA-N 0 0 452.190 4.731 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)Cc3ccc(I)cc3)cc2)cc1 ZINC001360187449 1065072155 /nfs/dbraw/zinc/07/21/55/1065072155.db2.gz DRZUTHZLPUTSPE-UHFFFAOYSA-N 0 0 457.311 4.826 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001360187605 1065072201 /nfs/dbraw/zinc/07/22/01/1065072201.db2.gz FRYSMBVCULBYRI-HOTGVXAUSA-N 0 0 451.792 4.775 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC(OCc3ccccc3)C2)CC1 ZINC001360187784 1065072650 /nfs/dbraw/zinc/07/26/50/1065072650.db2.gz IBBXRFJPMWERSU-FBHNJWQJSA-N 0 0 457.412 4.650 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cccc(C)c2Br)CC1 ZINC001360188219 1065072692 /nfs/dbraw/zinc/07/26/92/1065072692.db2.gz OWABVZIBQLFTDO-HXUWFJFHSA-N 0 0 451.355 4.874 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC001360189820 1065073596 /nfs/dbraw/zinc/07/35/96/1065073596.db2.gz GIFJASCNHWXYKY-CJNGLKHVSA-N 0 0 457.434 4.947 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 ZINC001360188945 1065073731 /nfs/dbraw/zinc/07/37/31/1065073731.db2.gz YHGNAXVSMVMXEW-HNNXBMFYSA-N 0 0 458.331 4.762 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1C(F)(F)F ZINC001435940876 1065074117 /nfs/dbraw/zinc/07/41/17/1065074117.db2.gz LCQBIEAMATYCTD-XOBRGWDASA-N 0 0 454.439 4.785 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001435940374 1065074132 /nfs/dbraw/zinc/07/41/32/1065074132.db2.gz ORNHYJJCHOJDBG-OAHLLOKOSA-N 0 0 455.407 4.686 20 0 JJADRN CC[C@H](NC(=O)c1cncc2nc(C(F)(F)F)n(C)c21)c1cc(F)cc(Br)c1 ZINC001435940795 1065074175 /nfs/dbraw/zinc/07/41/75/1065074175.db2.gz GHJQNBJVYKLBAQ-ZDUSSCGKSA-N 0 0 459.241 4.770 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC(c2ccccc2Br)CC1)N1Cc2ccccc2C1=O ZINC001435940951 1065074191 /nfs/dbraw/zinc/07/41/91/1065074191.db2.gz ISZGSUYCEJJNIW-QFIPXVFZSA-N 0 0 455.396 4.836 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1C(F)(F)F ZINC001435940585 1065074335 /nfs/dbraw/zinc/07/43/35/1065074335.db2.gz LCQBIEAMATYCTD-JLTOFOAXSA-N 0 0 454.439 4.785 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@@H](C)c3sc(-c4ccc(Cl)cc4)nc3C)nn2)c1 ZINC001360190360 1065074551 /nfs/dbraw/zinc/07/45/51/1065074551.db2.gz UGEMLHYLBLKONC-ZDUSSCGKSA-N 0 0 453.955 4.852 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N2CCC(c3ccccc3Br)CC2)no1 ZINC001435941514 1065074653 /nfs/dbraw/zinc/07/46/53/1065074653.db2.gz KEMDHHUSYHKIOL-UHFFFAOYSA-N 0 0 456.340 4.739 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001435942837 1065075160 /nfs/dbraw/zinc/07/51/60/1065075160.db2.gz RWZDXBQXYLBXIY-FQEVSTJZSA-N 0 0 453.489 4.664 20 0 JJADRN COC(=O)c1cc2ccc(OC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2o1 ZINC001435943653 1065075197 /nfs/dbraw/zinc/07/51/97/1065075197.db2.gz XKFNDFAEOQVFPL-RUZDIDTESA-N 0 0 459.498 4.662 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c1 ZINC001435942381 1065075243 /nfs/dbraw/zinc/07/52/43/1065075243.db2.gz QUJQISDVIMMLMY-UHFFFAOYSA-N 0 0 451.386 4.539 20 0 JJADRN CC(C)(CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC001435944070 1065075587 /nfs/dbraw/zinc/07/55/87/1065075587.db2.gz JNEZCOZMQCKARC-UHFFFAOYSA-N 0 0 457.496 4.849 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1cc(F)cc(Br)c1 ZINC001435944045 1065075635 /nfs/dbraw/zinc/07/56/35/1065075635.db2.gz WBQSJOYABKTEFI-NVXWUHKLSA-N 0 0 457.137 4.922 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCC3(c4ccc(F)cc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435947928 1065076601 /nfs/dbraw/zinc/07/66/01/1065076601.db2.gz OYGPHPWIIOJQGO-HYBUGGRVSA-N 0 0 456.533 4.511 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001360196378 1065076755 /nfs/dbraw/zinc/07/67/55/1065076755.db2.gz AZMQFFKOPBLAOX-FQEVSTJZSA-N 0 0 450.585 4.966 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)[C@@H](C)Cn2ccc(C)n2)CCC3)cc1Cl ZINC001435948634 1065077089 /nfs/dbraw/zinc/07/70/89/1065077089.db2.gz NXQFEBWIAMADOI-ZDUSSCGKSA-N 0 0 457.983 4.910 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360196964 1065077190 /nfs/dbraw/zinc/07/71/90/1065077190.db2.gz SAAWSQSYMVUXOZ-RZDIXWSQSA-N 0 0 469.939 4.967 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC001360197949 1065077205 /nfs/dbraw/zinc/07/72/05/1065077205.db2.gz NZPISSGIVQVDET-SFHVURJKSA-N 0 0 459.468 4.697 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c(-c2ccc(Cl)s2)n1 ZINC001360198158 1065077382 /nfs/dbraw/zinc/07/73/82/1065077382.db2.gz QRFNZWBRQLYMPA-CYBMUJFWSA-N 0 0 454.905 4.830 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001360199072 1065077785 /nfs/dbraw/zinc/07/77/85/1065077785.db2.gz BMHWGVXKGNCBDY-APWZRJJASA-N 0 0 492.437 4.906 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360199383 1065078280 /nfs/dbraw/zinc/07/82/80/1065078280.db2.gz GLFIACONBJFILP-HXUWFJFHSA-N 0 0 467.658 4.796 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)c3c2CCCC3)cc1 ZINC001360202212 1065078677 /nfs/dbraw/zinc/07/86/77/1065078677.db2.gz QTCDDFLXOGPNEM-UHFFFAOYSA-N 0 0 452.599 4.531 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC001435953753 1065078994 /nfs/dbraw/zinc/07/89/94/1065078994.db2.gz LDZQOXZCYISWBG-LJQANCHMSA-N 0 0 453.421 4.733 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 ZINC001435954095 1065079001 /nfs/dbraw/zinc/07/90/01/1065079001.db2.gz WYFOCJVTZHZSLO-JOCHJYFZSA-N 0 0 455.605 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)o2)CC1 ZINC001435952390 1065079036 /nfs/dbraw/zinc/07/90/36/1065079036.db2.gz WTNNSWGCWTUSQN-TZIWHRDSSA-N 0 0 453.583 4.930 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360203425 1065079073 /nfs/dbraw/zinc/07/90/73/1065079073.db2.gz GAQAIQAIAOEDKP-UHFFFAOYSA-N 0 0 473.490 4.745 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CSc1ccc2c(c1)OCCO2 ZINC001435954236 1065079359 /nfs/dbraw/zinc/07/93/59/1065079359.db2.gz STEJXKXCTZXMRH-MRXNPFEDSA-N 0 0 450.398 4.792 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2c(F)cccc2I)cc1 ZINC001360205119 1065079641 /nfs/dbraw/zinc/07/96/41/1065079641.db2.gz BNVPRYGGNQZIDA-LBPRGKRZSA-N 0 0 459.324 4.660 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccc(Br)o1 ZINC001435955044 1065079837 /nfs/dbraw/zinc/07/98/37/1065079837.db2.gz AVKGBCWPQXFHRN-UHFFFAOYSA-N 0 0 454.299 4.893 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)cc1 ZINC001435955634 1065079904 /nfs/dbraw/zinc/07/99/04/1065079904.db2.gz FTIZBAVTBLGDGJ-UHFFFAOYSA-N 0 0 453.922 4.743 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)C2(c3ccc(I)cc3)CC2)cc1 ZINC001435955024 1065079920 /nfs/dbraw/zinc/07/99/20/1065079920.db2.gz CRBQEFWHZFLVFQ-HNNXBMFYSA-N 0 0 451.373 4.928 20 0 JJADRN Cn1cc([C@H](NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)c2ccc(F)cc2)cn1 ZINC001435956010 1065080187 /nfs/dbraw/zinc/08/01/87/1065080187.db2.gz CZNUFTZKOFIAJY-OAQYLSRUSA-N 0 0 458.415 4.568 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC001435955750 1065080350 /nfs/dbraw/zinc/08/03/50/1065080350.db2.gz KPHFBNDEIBZLCU-UHFFFAOYSA-N 0 0 451.239 4.957 20 0 JJADRN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC001360207453 1065080550 /nfs/dbraw/zinc/08/05/50/1065080550.db2.gz CWAUTUGXQLNGHG-UHFFFAOYSA-N 0 0 453.789 4.606 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)cc1C(=O)NC(C)C ZINC001360208063 1065080944 /nfs/dbraw/zinc/08/09/44/1065080944.db2.gz UCMLHIFIKMHFMK-UHFFFAOYSA-N 0 0 454.958 4.783 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@](C)(OC)c1ccccc1F ZINC001435957583 1065081105 /nfs/dbraw/zinc/08/11/05/1065081105.db2.gz OIICWMJZNYHPMY-PGRDOPGGSA-N 0 0 452.364 4.604 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OCc2ccccc2)c1 ZINC001435958055 1065081661 /nfs/dbraw/zinc/08/16/61/1065081661.db2.gz QVLDHFOFZKBQHH-SFHVURJKSA-N 0 0 450.922 4.919 20 0 JJADRN COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC001435958046 1065081676 /nfs/dbraw/zinc/08/16/76/1065081676.db2.gz QPXFLQHQZWLHPU-QGZVFWFLSA-N 0 0 457.523 4.604 20 0 JJADRN COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)O1 ZINC001360211780 1065081895 /nfs/dbraw/zinc/08/18/95/1065081895.db2.gz IJIKXQBMYPCZPX-BJKOFHAPSA-N 0 0 453.579 4.650 20 0 JJADRN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001360211582 1065081919 /nfs/dbraw/zinc/08/19/19/1065081919.db2.gz CYQGKOASHRLOHQ-MHZLTWQESA-N 0 0 455.595 4.896 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)CN(C)C(=O)c3cccs3)cc2C)c1 ZINC001360211935 1065081929 /nfs/dbraw/zinc/08/19/29/1065081929.db2.gz LBHLJUDTEJBLOJ-UHFFFAOYSA-N 0 0 450.604 4.983 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)c(OCc2ccccc2)c1 ZINC001435958380 1065082233 /nfs/dbraw/zinc/08/22/33/1065082233.db2.gz SLQPINXTKAXIFL-UHFFFAOYSA-N 0 0 450.560 4.893 20 0 JJADRN CCOC(=O)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)C1 ZINC001435958721 1065082306 /nfs/dbraw/zinc/08/23/06/1065082306.db2.gz YHRLSDGBBBKQOX-OAHLLOKOSA-N 0 0 456.461 4.956 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360212023 1065082283 /nfs/dbraw/zinc/08/22/83/1065082283.db2.gz QIBQTFPGPBNGKX-LJQANCHMSA-N 0 0 499.553 4.821 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360212349 1065082421 /nfs/dbraw/zinc/08/24/21/1065082421.db2.gz YXKOLKJZPIDRPL-DLBZAZTESA-N 0 0 481.975 4.553 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001435959692 1065083008 /nfs/dbraw/zinc/08/30/08/1065083008.db2.gz ZBBBWZVOXCVGKP-FDDCHVKYSA-N 0 0 457.979 4.747 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001435960873 1065083581 /nfs/dbraw/zinc/08/35/81/1065083581.db2.gz ZZWJLXHJXYGPLB-UHFFFAOYSA-N 0 0 454.137 4.980 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCc1ccc(Br)cc1 ZINC001360215053 1065083864 /nfs/dbraw/zinc/08/38/64/1065083864.db2.gz GAMKDKSOCDEIOH-UHFFFAOYSA-N 0 0 474.447 4.582 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360216929 1065084726 /nfs/dbraw/zinc/08/47/26/1065084726.db2.gz RLKWQLCALKENFZ-LAUBAEHRSA-N 0 0 455.345 4.917 20 0 JJADRN C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1cc(Cl)ccc1Cl ZINC001435966212 1065085029 /nfs/dbraw/zinc/08/50/29/1065085029.db2.gz BAVQTCCIRSEJDV-GFCCVEGCSA-N 0 0 450.391 4.911 20 0 JJADRN COC1(C(=O)Nc2cccc(OCc3ccccc3C)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360217784 1065085166 /nfs/dbraw/zinc/08/51/66/1065085166.db2.gz ZJVNTGQTPAHQFK-UHFFFAOYSA-N 0 0 454.567 4.929 20 0 JJADRN COc1cc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc(OC)c1OC ZINC001435966948 1065085299 /nfs/dbraw/zinc/08/52/99/1065085299.db2.gz GGAXEEKXTBBPLZ-QGZVFWFLSA-N 0 0 452.320 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1cc(C2CC2)ccc1F ZINC001545894572 1065085431 /nfs/dbraw/zinc/08/54/31/1065085431.db2.gz ZDJDALDGGAKJBY-KRWDZBQOSA-N 0 0 463.548 4.743 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC001435967815 1065085712 /nfs/dbraw/zinc/08/57/12/1065085712.db2.gz MIFBHTNPKDIBSK-NRFANRHFSA-N 0 0 453.970 4.727 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001360220720 1065086065 /nfs/dbraw/zinc/08/60/65/1065086065.db2.gz QNHGOWQUAZDPLQ-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC001435971155 1065086948 /nfs/dbraw/zinc/08/69/48/1065086948.db2.gz IOMCXSMXKHCYIS-UHFFFAOYSA-N 0 0 457.137 4.707 20 0 JJADRN CSc1nc(C)c(CCC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c(C)n1 ZINC001435972047 1065087366 /nfs/dbraw/zinc/08/73/66/1065087366.db2.gz CLOHUZABAKDGFW-UHFFFAOYSA-N 0 0 452.605 4.563 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001435973049 1065087843 /nfs/dbraw/zinc/08/78/43/1065087843.db2.gz HPRZTZXEBSTRGT-DYVFJYSZSA-N 0 0 450.423 4.747 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)CCc1nc(C2CCCC2)no1 ZINC001360225038 1065088019 /nfs/dbraw/zinc/08/80/19/1065088019.db2.gz NWSOLAZOGHWWSK-UHFFFAOYSA-N 0 0 454.571 4.664 20 0 JJADRN Cc1nc(C(=O)N2Cc3cccc(Br)c3C2)nn1-c1c(Cl)cccc1Cl ZINC001435974006 1065088247 /nfs/dbraw/zinc/08/82/47/1065088247.db2.gz HFHPDOBMHXXCDZ-UHFFFAOYSA-N 0 0 452.139 4.801 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC001360225509 1065088403 /nfs/dbraw/zinc/08/84/03/1065088403.db2.gz WEPAEAZTBMQLMV-XDHUDOTRSA-N 0 0 459.571 4.872 20 0 JJADRN C[C@@H]1C[C@H]1[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Cl)cc1 ZINC001360225329 1065088586 /nfs/dbraw/zinc/08/85/86/1065088586.db2.gz QMEGISCCPHZUBT-FTNGCUSPSA-N 0 0 451.737 4.756 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)c2o1 ZINC001435975579 1065088667 /nfs/dbraw/zinc/08/86/67/1065088667.db2.gz LIZRBHRYBAQQGW-GOSISDBHSA-N 0 0 457.390 4.609 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(Br)c3nccnc3c2)C(C)(C)C)c(OC)c1 ZINC001435975046 1065088784 /nfs/dbraw/zinc/08/87/84/1065088784.db2.gz FPIYGPNQYQGTMY-UHFFFAOYSA-N 0 0 458.356 4.850 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CC(C)(C)c1cccs1 ZINC001360226033 1065089127 /nfs/dbraw/zinc/08/91/27/1065089127.db2.gz FIPMHXGXGFYZFK-LJQANCHMSA-N 0 0 455.603 4.936 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)c1ccc(I)cc1F ZINC001435976413 1065089258 /nfs/dbraw/zinc/08/92/58/1065089258.db2.gz XJCOCABHVIPHLG-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC001435977157 1065089616 /nfs/dbraw/zinc/08/96/16/1065089616.db2.gz USDOZKNDMPSGCQ-SFTDATJTSA-N 0 0 458.396 4.989 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC001435977156 1065089706 /nfs/dbraw/zinc/08/97/06/1065089706.db2.gz USDOZKNDMPSGCQ-RTWAWAEBSA-N 0 0 458.396 4.989 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)c2o1 ZINC001435977810 1065089796 /nfs/dbraw/zinc/08/97/96/1065089796.db2.gz VIYSNJHMUHSMHG-UHFFFAOYSA-N 0 0 451.630 4.715 20 0 JJADRN CC1(C)[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@H]1OCc1ccccc1 ZINC001435978454 1065090099 /nfs/dbraw/zinc/09/00/99/1065090099.db2.gz PRMZQUAWWHMICW-SFTDATJTSA-N 0 0 454.368 4.749 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(Br)cc2F)c(Br)c1 ZINC001360227657 1065090108 /nfs/dbraw/zinc/09/01/08/1065090108.db2.gz DYPQDGSFFHKTFD-LBPRGKRZSA-N 0 0 459.153 4.785 20 0 JJADRN CC1(C)[C@@H](NC(=O)c2cc(I)ccc2F)C[C@@H]1OCc1ccccc1 ZINC001435978896 1065090247 /nfs/dbraw/zinc/09/02/47/1065090247.db2.gz SVYOWMDSMYEBGJ-ROUUACIJSA-N 0 0 453.295 4.544 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CSCc1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228045 1065090483 /nfs/dbraw/zinc/09/04/83/1065090483.db2.gz JJPOGPOYZDGJRG-NTKDMRAZSA-N 0 0 458.693 4.994 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(C)c1 ZINC001435979977 1065091033 /nfs/dbraw/zinc/09/10/33/1065091033.db2.gz ZPMOQOURKQNGBM-RXVVDRJESA-N 0 0 454.983 4.639 20 0 JJADRN Cc1ccc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)c1ccccc1 ZINC001435980298 1065091161 /nfs/dbraw/zinc/09/11/61/1065091161.db2.gz NAIQEQRDGDAJSN-UHFFFAOYSA-N 0 0 451.567 4.767 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CCC2=O)cc1C ZINC001435979841 1065091235 /nfs/dbraw/zinc/09/12/35/1065091235.db2.gz ZFOCBSSUGUKJRD-QGZVFWFLSA-N 0 0 454.983 4.781 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001435982808 1065091727 /nfs/dbraw/zinc/09/17/27/1065091727.db2.gz KFHZLIJZMOBXRD-VQTJNVASSA-N 0 0 451.382 4.552 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360231514 1065092019 /nfs/dbraw/zinc/09/20/19/1065092019.db2.gz LVUKHQUCIDBUMI-FDDCHVKYSA-N 0 0 454.998 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC001435984166 1065092516 /nfs/dbraw/zinc/09/25/16/1065092516.db2.gz GNJFKXMISOUTGL-HIFRSBDPSA-N 0 0 455.395 4.979 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2nn(-c3ccccc3)cc2Br)c1 ZINC001360232836 1065092793 /nfs/dbraw/zinc/09/27/93/1065092793.db2.gz YWDXUDVCABDZQS-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001435985302 1065092821 /nfs/dbraw/zinc/09/28/21/1065092821.db2.gz HXJZVSBDSVQDAE-OKILXGFUSA-N 0 0 453.370 4.649 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1sccc1S(=O)(=O)C(F)F ZINC001435984852 1065092970 /nfs/dbraw/zinc/09/29/70/1065092970.db2.gz OPVXODFBHPMNTH-UHFFFAOYSA-N 0 0 451.919 4.779 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001360235419 1065094151 /nfs/dbraw/zinc/09/41/51/1065094151.db2.gz BDRXARMXIMYBCK-FXAWDEMLSA-N 0 0 455.649 4.742 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)ccc21 ZINC001435987152 1065094153 /nfs/dbraw/zinc/09/41/53/1065094153.db2.gz JXIUYRDDWWOIOD-XMMPIXPASA-N 0 0 450.535 4.833 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001435987000 1065094333 /nfs/dbraw/zinc/09/43/33/1065094333.db2.gz OGHNZSZDFRPBHG-LLVKDONJSA-N 0 0 459.153 4.854 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC001360239270 1065095117 /nfs/dbraw/zinc/09/51/17/1065095117.db2.gz PTWVXESNSNVXFO-LJQANCHMSA-N 0 0 454.979 4.625 20 0 JJADRN O=C(NC[C@H]1CCc2ccccc21)c1ccc(I)c(Br)c1 ZINC001360238656 1065095186 /nfs/dbraw/zinc/09/51/86/1065095186.db2.gz AMNPEROLGQYRMV-CYBMUJFWSA-N 0 0 456.121 4.514 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC001435989788 1065095590 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RGQLGSYPZXRYIM-LRXVAGHRSA-N 0 0 457.615 4.812 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC001435991841 1065096561 /nfs/dbraw/zinc/09/65/61/1065096561.db2.gz QDONQBWSIKGBLS-NRFANRHFSA-N 0 0 458.624 4.612 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC001360243327 1065096607 /nfs/dbraw/zinc/09/66/07/1065096607.db2.gz XDEPJLOQKHUEJD-MRXNPFEDSA-N 0 0 452.523 4.707 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1C(F)(F)F ZINC001360243835 1065096624 /nfs/dbraw/zinc/09/66/24/1065096624.db2.gz WVSGXHZRZMIRSF-ACJLOTCBSA-N 0 0 456.411 4.722 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1C(F)(F)F ZINC001360243838 1065096734 /nfs/dbraw/zinc/09/67/34/1065096734.db2.gz WVSGXHZRZMIRSF-UGSOOPFHSA-N 0 0 456.411 4.722 20 0 JJADRN COc1cccc(C2(CNC(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)CCCC2)c1 ZINC001360244971 1065097038 /nfs/dbraw/zinc/09/70/38/1065097038.db2.gz CXQJHJHFFUBGIO-LJQANCHMSA-N 0 0 457.368 4.512 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC001435992363 1065097063 /nfs/dbraw/zinc/09/70/63/1065097063.db2.gz TUQVNVDYOHZRFK-LBPRGKRZSA-N 0 0 456.768 4.722 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1cccc(C)c1C ZINC001435992984 1065097243 /nfs/dbraw/zinc/09/72/43/1065097243.db2.gz IHKVMESEKGVBSA-HXUWFJFHSA-N 0 0 454.958 4.695 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 ZINC001360245191 1065097158 /nfs/dbraw/zinc/09/71/58/1065097158.db2.gz HUEDSZOCDQDGJM-UHFFFAOYSA-N 0 0 456.608 4.668 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)ccn2)C1 ZINC001360245799 1065097644 /nfs/dbraw/zinc/09/76/44/1065097644.db2.gz RRRJTLITRPKLEZ-IBGZPJMESA-N 0 0 455.624 4.818 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCOC3)CC2=O)cc1 ZINC001435993618 1065097833 /nfs/dbraw/zinc/09/78/33/1065097833.db2.gz KGLKTJNKJXTKBX-MOPGFXCFSA-N 0 0 456.970 4.699 20 0 JJADRN O=C(COC(=O)c1nc(C(F)(F)F)n2c1CCCC2)Nc1ccc(Oc2ccccc2)cc1 ZINC001360248149 1065098297 /nfs/dbraw/zinc/09/82/97/1065098297.db2.gz IEWBWTVHMLWWJI-UHFFFAOYSA-N 0 0 459.424 4.826 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](C)c1ccccc1 ZINC001360251106 1065099189 /nfs/dbraw/zinc/09/91/89/1065099189.db2.gz QIRPFBSNHFQLTE-QUCCMNQESA-N 0 0 496.681 4.552 20 0 JJADRN COc1cc(C)c([C@H](C)OC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)cc1C ZINC001435996556 1065099392 /nfs/dbraw/zinc/09/93/92/1065099392.db2.gz ADSRYUACGAHHTD-PGRDOPGGSA-N 0 0 452.551 4.893 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc(F)ccc1I ZINC001360252012 1065099586 /nfs/dbraw/zinc/09/95/86/1065099586.db2.gz JACOBUOOGZJNBZ-QGZVFWFLSA-N 0 0 459.274 4.793 20 0 JJADRN COc1ccc(F)cc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001435998248 1065099785 /nfs/dbraw/zinc/09/97/85/1065099785.db2.gz MYBLNWWTIVZTJS-SFHVURJKSA-N 0 0 456.436 4.735 20 0 JJADRN COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1F ZINC001435999151 1065100735 /nfs/dbraw/zinc/10/07/35/1065100735.db2.gz XLIQKLJHNKUFEB-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN O=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-n2cccn2)n1 ZINC001435998523 1065100808 /nfs/dbraw/zinc/10/08/08/1065100808.db2.gz KDFDMJDVWDMRJP-UHFFFAOYSA-N 0 0 450.930 4.504 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3)cc12 ZINC001360254810 1065101767 /nfs/dbraw/zinc/10/17/67/1065101767.db2.gz FFEAGCOACXIGIB-HNNXBMFYSA-N 0 0 452.967 4.865 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)s1 ZINC001360255931 1065102298 /nfs/dbraw/zinc/10/22/98/1065102298.db2.gz DDWFWRIALCHCQT-QPHCHLROSA-N 0 0 456.637 4.654 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(C)c(C)c1 ZINC001436002141 1065102710 /nfs/dbraw/zinc/10/27/10/1065102710.db2.gz XERZHTPNSZDVER-JOCHJYFZSA-N 0 0 459.477 4.804 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC001436001661 1065102729 /nfs/dbraw/zinc/10/27/29/1065102729.db2.gz 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451.947 4.848 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001360259117 1065104283 /nfs/dbraw/zinc/10/42/83/1065104283.db2.gz ASSXWKQEWLTTDK-INIZCTEOSA-N 0 0 453.530 4.810 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)nn2C)cc1OC ZINC001360259291 1065104383 /nfs/dbraw/zinc/10/43/83/1065104383.db2.gz DXBLCJYEDCZLAP-UHFFFAOYSA-N 0 0 450.539 4.650 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N3CCS[C@H](C)[C@@H]3C)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001360259612 1065104431 /nfs/dbraw/zinc/10/44/31/1065104431.db2.gz QBPIOTBDZGQRNY-IRMATFOQSA-N 0 0 452.620 4.840 20 0 JJADRN CC(C)NC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360261328 1065105009 /nfs/dbraw/zinc/10/50/09/1065105009.db2.gz GKJIOUVRSAZBIH-NQIIRXRSSA-N 0 0 492.064 4.770 20 0 JJADRN CC(C)C[C@H](NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)C(=O)OC(C)C ZINC001360261648 1065105549 /nfs/dbraw/zinc/10/55/49/1065105549.db2.gz DONWTQBEKLWVCQ-INIZCTEOSA-N 0 0 455.386 4.794 20 0 JJADRN 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CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F ZINC001360275099 1065115742 /nfs/dbraw/zinc/11/57/42/1065115742.db2.gz YUBGKJLFIXZZEB-AWEZNQCLSA-N 0 0 499.534 4.647 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(F)c1 ZINC001360274973 1065115782 /nfs/dbraw/zinc/11/57/82/1065115782.db2.gz VVTYRFHLWXLZOC-UHFFFAOYSA-N 0 0 469.630 4.618 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360275234 1065115844 /nfs/dbraw/zinc/11/58/44/1065115844.db2.gz ZYBCZLLHNXMVFS-APWZRJJASA-N 0 0 473.593 4.912 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360275236 1065115876 /nfs/dbraw/zinc/11/58/76/1065115876.db2.gz ZYBCZLLHNXMVFS-QFBILLFUSA-N 0 0 473.593 4.912 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)cc2CN1C(=O)OC(C)(C)C ZINC001436017734 1065115881 /nfs/dbraw/zinc/11/58/81/1065115881.db2.gz ZKVYUIXBBMRXPA-HTAPYJJXSA-N 0 0 452.599 4.856 20 0 JJADRN 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LYVPDIRHEXVDPO-UHFFFAOYSA-N 0 0 452.255 4.980 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001360281455 1065122215 /nfs/dbraw/zinc/12/22/15/1065122215.db2.gz GBDLEJACXXNDRB-UHFFFAOYSA-N 0 0 458.505 4.689 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC001360281775 1065122222 /nfs/dbraw/zinc/12/22/22/1065122222.db2.gz KVHYUZVWVUDFTK-UHFFFAOYSA-N 0 0 457.473 4.959 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001360281966 1065122784 /nfs/dbraw/zinc/12/27/84/1065122784.db2.gz NTNPDHZUVYQHPL-UHFFFAOYSA-N 0 0 458.599 4.831 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC001545895015 1065122808 /nfs/dbraw/zinc/12/28/08/1065122808.db2.gz LQKFYHLYWOBDAW-SFHVURJKSA-N 0 0 451.939 4.605 20 0 JJADRN CCn1cc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)n1 ZINC001436028005 1065123515 /nfs/dbraw/zinc/12/35/15/1065123515.db2.gz AFEMQRORSHWLCL-QGZVFWFLSA-N 0 0 453.370 4.644 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1 ZINC001360283538 1065123558 /nfs/dbraw/zinc/12/35/58/1065123558.db2.gz RFLDKUYPMNRJTE-UHFFFAOYSA-N 0 0 456.365 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3cccnc3n2)[C@@H](c2ccccc2Cl)C1 ZINC001436029044 1065124729 /nfs/dbraw/zinc/12/47/29/1065124729.db2.gz KWTWFCYLBOUGLD-HXUWFJFHSA-N 0 0 452.942 4.717 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3cccc(F)c3)c21 ZINC001436029166 1065124796 /nfs/dbraw/zinc/12/47/96/1065124796.db2.gz LTZQCGZYJMQDCS-JOCHJYFZSA-N 0 0 451.542 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2OCCc3ccccc32)[C@@H](c2cccc(F)c2)C1 ZINC001436029072 1065124803 /nfs/dbraw/zinc/12/48/03/1065124803.db2.gz LBLUNQMBPZXWHX-PKTZIBPZSA-N 0 0 454.542 4.650 20 0 JJADRN Cn1nccc1[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)C1 ZINC001436028946 1065124828 /nfs/dbraw/zinc/12/48/28/1065124828.db2.gz SYUPUKMXNGSCNM-OAHLLOKOSA-N 0 0 457.397 4.749 20 0 JJADRN CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1C ZINC001436029530 1065125495 /nfs/dbraw/zinc/12/54/95/1065125495.db2.gz OQRONNXZQBBEEY-JOCHJYFZSA-N 0 0 455.530 4.527 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2Br)[C@@H](c2cccc(F)c2)C1 ZINC001436029874 1065125974 /nfs/dbraw/zinc/12/59/74/1065125974.db2.gz QNPFLZMFNVDMDO-MRXNPFEDSA-N 0 0 453.308 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COC/C=C/c2ccccc2)[C@@H](c2cccc(F)c2)C1 ZINC001436030101 1065126095 /nfs/dbraw/zinc/12/60/95/1065126095.db2.gz RRHFKUKDJLOLEJ-OXHGWOFKSA-N 0 0 454.542 4.676 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001360287351 1065126196 /nfs/dbraw/zinc/12/61/96/1065126196.db2.gz JMQIGMLAGDZLGI-UHFFFAOYSA-N 0 0 494.846 4.510 20 0 JJADRN Cc1cccc2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3Cl)cn21 ZINC001436030496 1065126696 /nfs/dbraw/zinc/12/66/96/1065126696.db2.gz WJRDYQGOPREEKK-FQEVSTJZSA-N 0 0 454.958 4.730 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC001360289650 1065126770 /nfs/dbraw/zinc/12/67/70/1065126770.db2.gz NBHLFWPFHGCUNZ-UHFFFAOYSA-N 0 0 457.552 4.640 20 0 JJADRN CC(C)(C)OC(=O)CCCC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360291213 1065127385 /nfs/dbraw/zinc/12/73/85/1065127385.db2.gz KAPGNQUSXDNKGM-UHFFFAOYSA-N 0 0 456.558 4.565 20 0 JJADRN C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360292527 1065127451 /nfs/dbraw/zinc/12/74/51/1065127451.db2.gz YDDBGXFGJDBHOS-IBGZPJMESA-N 0 0 452.501 4.660 20 0 JJADRN C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360292528 1065127457 /nfs/dbraw/zinc/12/74/57/1065127457.db2.gz YDDBGXFGJDBHOS-LJQANCHMSA-N 0 0 452.501 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)[C@H](c2ccncc2)C1 ZINC001436031739 1065127993 /nfs/dbraw/zinc/12/79/93/1065127993.db2.gz AXRBEGNHJIPURA-SFHVURJKSA-N 0 0 451.901 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2Cl)[C@H](c2ccncc2)C1 ZINC001436031735 1065128051 /nfs/dbraw/zinc/12/80/51/1065128051.db2.gz AWHHFUPCXFBDRN-SFHVURJKSA-N 0 0 450.366 4.752 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001360293713 1065128235 /nfs/dbraw/zinc/12/82/35/1065128235.db2.gz QBJRCMYMWPBAPX-HSZRJFAPSA-N 0 0 458.558 4.694 20 0 JJADRN COCCCCN(C(=O)c1ccc(O[C@H]2CC2(F)F)cc1)c1ccc(Br)cn1 ZINC001436032650 1065129296 /nfs/dbraw/zinc/12/92/96/1065129296.db2.gz IMNMBBSVSJPARD-KRWDZBQOSA-N 0 0 455.299 4.704 20 0 JJADRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)C1(c2ccccc2Br)CC1 ZINC001436032500 1065129299 /nfs/dbraw/zinc/12/92/99/1065129299.db2.gz GSOQTWULPCYXNH-HNNXBMFYSA-N 0 0 455.121 4.632 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC001436033006 1065129907 /nfs/dbraw/zinc/12/99/07/1065129907.db2.gz ZBXMPXSPXFSGRB-MQSCRBSSSA-N 0 0 456.030 4.850 20 0 JJADRN CCSCc1ccc(C(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)cc1 ZINC001436033056 1065129926 /nfs/dbraw/zinc/12/99/26/1065129926.db2.gz ZXPADBJKTJNWLM-UHFFFAOYSA-N 0 0 455.443 4.542 20 0 JJADRN NC(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC001360296859 1065130114 /nfs/dbraw/zinc/13/01/14/1065130114.db2.gz ZYWSNDQQDGDVKD-UHFFFAOYSA-N 0 0 456.329 4.916 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cccnc2N2CCCC2)cc1Cl)c1ccncc1 ZINC001360296479 1065130182 /nfs/dbraw/zinc/13/01/82/1065130182.db2.gz NXFYMLJBZFQPOX-UHFFFAOYSA-N 0 0 456.333 4.888 20 0 JJADRN O=C(OCc1c(F)ccc(Br)c1F)c1ccccc1I ZINC001436033793 1065130590 /nfs/dbraw/zinc/13/05/90/1065130590.db2.gz MFAGQKMRFQJRIA-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN Cc1cc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)cc(C)c1Cl ZINC001436033395 1065130630 /nfs/dbraw/zinc/13/06/30/1065130630.db2.gz MQUHUMBSWGNNHJ-HXUWFJFHSA-N 0 0 459.974 4.551 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc2cccc3c2CCC(C)(C)O3)c1 ZINC001436034313 1065131466 /nfs/dbraw/zinc/13/14/66/1065131466.db2.gz DKGHTYNZDPLVGK-HXUWFJFHSA-N 0 0 455.551 4.840 20 0 JJADRN COCCCCN(C(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(Br)cn1 ZINC001436035807 1065131973 /nfs/dbraw/zinc/13/19/73/1065131973.db2.gz QRCPPSBWQFDQPX-IFXJQAMLSA-N 0 0 453.402 4.615 20 0 JJADRN CC(C)c1ccc(CCCNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC001360299339 1065132168 /nfs/dbraw/zinc/13/21/68/1065132168.db2.gz HULDAPMXEPIBQL-UHFFFAOYSA-N 0 0 456.633 4.629 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001360300312 1065133065 /nfs/dbraw/zinc/13/30/65/1065133065.db2.gz LIJIJDWMHUUTGQ-PSTIOWGYSA-N 0 0 450.535 4.515 20 0 JJADRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001436037977 1065133387 /nfs/dbraw/zinc/13/33/87/1065133387.db2.gz MPHWHWHDYAAPQX-OAQYLSRUSA-N 0 0 456.464 4.627 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC001436038120 1065133496 /nfs/dbraw/zinc/13/34/96/1065133496.db2.gz NKPYPFDGYCYVTF-DEOSSOPVSA-N 0 0 452.514 4.664 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)C1(c2cncc(Br)c2)CC1 ZINC001360300581 1065133479 /nfs/dbraw/zinc/13/34/79/1065133479.db2.gz TYRNFJUOAKNTAV-NDEPHWFRSA-N 0 0 455.377 4.822 20 0 JJADRN COc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)ccc1OCc1ccccc1 ZINC001436038807 1065134265 /nfs/dbraw/zinc/13/42/65/1065134265.db2.gz XYCGTGXDRGSVHR-QFIPXVFZSA-N 0 0 456.583 4.943 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)cc1 ZINC001436040070 1065134893 /nfs/dbraw/zinc/13/48/93/1065134893.db2.gz MDJWJKSYITVDRV-UHFFFAOYSA-N 0 0 458.278 4.778 20 0 JJADRN COCCOc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)c(Cl)c1 ZINC001436040218 1065134913 /nfs/dbraw/zinc/13/49/13/1065134913.db2.gz NVUXWOIDTABYQZ-UHFFFAOYSA-N 0 0 453.642 4.794 20 0 JJADRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC001436039996 1065134923 /nfs/dbraw/zinc/13/49/23/1065134923.db2.gz FEAMWTNSDKUSPM-IBGZPJMESA-N 0 0 450.258 4.868 20 0 JJADRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)Cc1noc2ccc(Br)cc12 ZINC001436040838 1065135647 /nfs/dbraw/zinc/13/56/47/1065135647.db2.gz QLABDSZTZZXAOD-LJQANCHMSA-N 0 0 453.258 4.995 20 0 JJADRN Cc1cc(C)n2nc(C(=O)Nc3ccc(Oc4cccc(F)c4)c(Br)c3)nc2n1 ZINC001436041759 1065136379 /nfs/dbraw/zinc/13/63/79/1065136379.db2.gz NKEDIZAPLUPVDQ-UHFFFAOYSA-N 0 0 456.275 4.687 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cn3ccc(Br)cc3n2)cc1 ZINC001360303803 1065136380 /nfs/dbraw/zinc/13/63/80/1065136380.db2.gz OXCLFNRKBZFDLC-UHFFFAOYSA-N 0 0 452.308 4.828 20 0 JJADRN COC(=O)c1nc(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)cs1 ZINC001436042291 1065136432 /nfs/dbraw/zinc/13/64/32/1065136432.db2.gz UCFJGRHZAVCZOP-UHFFFAOYSA-N 0 0 451.273 4.876 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Br)c3cccnc23)nnn1Cc1ccc(F)cc1 ZINC001436042442 1065136536 /nfs/dbraw/zinc/13/65/36/1065136536.db2.gz BLCUIKFDMSEDHS-UHFFFAOYSA-N 0 0 454.303 4.591 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(F)F)C2)cc1 ZINC001360304257 1065137129 /nfs/dbraw/zinc/13/71/29/1065137129.db2.gz HHLGVLSXDNRQHL-SFHVURJKSA-N 0 0 462.589 4.926 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c(OC)c1 ZINC001436042840 1065137169 /nfs/dbraw/zinc/13/71/69/1065137169.db2.gz WFTQXYGLOUSVCS-UHFFFAOYSA-N 0 0 454.567 4.781 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)Cc3cc(F)ccc3Br)CC2)c1 ZINC001436042524 1065137341 /nfs/dbraw/zinc/13/73/41/1065137341.db2.gz GSPCSOLWHHBDAX-UHFFFAOYSA-N 0 0 454.311 4.635 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)c(OC)c1 ZINC001436043338 1065137892 /nfs/dbraw/zinc/13/78/92/1065137892.db2.gz WUCQNACNRLCZNW-UHFFFAOYSA-N 0 0 458.558 4.789 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)o1 ZINC001436043464 1065138631 /nfs/dbraw/zinc/13/86/31/1065138631.db2.gz LQPRYQLYNFSJHZ-IBGZPJMESA-N 0 0 458.502 4.600 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC001436044347 1065139439 /nfs/dbraw/zinc/13/94/39/1065139439.db2.gz QTPCWEVVEPBLDJ-IBGZPJMESA-N 0 0 458.990 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C(C)(C)C1 ZINC001436044757 1065139929 /nfs/dbraw/zinc/13/99/29/1065139929.db2.gz VSOGVEAJKJECRC-BQFCYCMXSA-N 0 0 456.505 4.841 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c(C)c1 ZINC001436045855 1065140796 /nfs/dbraw/zinc/14/07/96/1065140796.db2.gz NLHYUWRPWYHDKI-UHFFFAOYSA-N 0 0 459.477 4.833 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C1CC1 ZINC001360305916 1065141301 /nfs/dbraw/zinc/14/13/01/1065141301.db2.gz KFYNHDSYIZWGOT-LJQANCHMSA-N 0 0 450.366 4.520 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)CC2=O)cc1 ZINC001360306918 1065141942 /nfs/dbraw/zinc/14/19/42/1065141942.db2.gz IDJNFLBWBLEMHG-GHTZIAJQSA-N 0 0 457.530 4.777 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3N3CCOCC3)cs2)cc1 ZINC001360306165 1065142019 /nfs/dbraw/zinc/14/20/19/1065142019.db2.gz URRMEMSWCCLPNO-UHFFFAOYSA-N 0 0 451.592 4.708 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001436047929 1065142027 /nfs/dbraw/zinc/14/20/27/1065142027.db2.gz HBHSAHDVQZIDNW-UHFFFAOYSA-N 0 0 453.366 4.569 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2SC)nnc1-c1ccccc1 ZINC001436048409 1065142595 /nfs/dbraw/zinc/14/25/95/1065142595.db2.gz LPEZZEBIZQHDJK-IRXDYDNUSA-N 0 0 456.637 4.844 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(F)cc1 ZINC001436047979 1065142600 /nfs/dbraw/zinc/14/26/00/1065142600.db2.gz ISVOZFPKHWVYHL-OAQYLSRUSA-N 0 0 454.527 4.924 20 0 JJADRN O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308473 1065143935 /nfs/dbraw/zinc/14/39/35/1065143935.db2.gz LMMWRZVTOKPMGA-UHFFFAOYSA-N 0 0 455.526 4.999 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccsc1 ZINC001436050366 1065144603 /nfs/dbraw/zinc/14/46/03/1065144603.db2.gz ZFIJEPDBXRYYFV-MRXNPFEDSA-N 0 0 454.577 4.529 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC001436051597 1065145181 /nfs/dbraw/zinc/14/51/81/1065145181.db2.gz HBFLUGSWVHMCOF-GOSISDBHSA-N 0 0 457.415 4.686 20 0 JJADRN C[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(I)cc1 ZINC001436052810 1065146463 /nfs/dbraw/zinc/14/64/63/1065146463.db2.gz ALQPFRJUDAODCV-BDAKNGLRSA-N 0 0 454.255 4.747 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3cccc4cccnc43)ccc2Cl)C1 ZINC001436053127 1065146548 /nfs/dbraw/zinc/14/65/48/1065146548.db2.gz JATWYRDGMHIKSX-MRXNPFEDSA-N 0 0 457.983 4.585 20 0 JJADRN Cc1c(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cccc1N1CCNC1=O ZINC001436053414 1065147442 /nfs/dbraw/zinc/14/74/42/1065147442.db2.gz WYHMCIGHCWFTFL-UHFFFAOYSA-N 0 0 456.518 4.843 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC001436054054 1065147510 /nfs/dbraw/zinc/14/75/10/1065147510.db2.gz AZDOWNRJNHIXLS-UHFFFAOYSA-N 0 0 455.396 4.748 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(SC)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436055727 1065148589 /nfs/dbraw/zinc/14/85/89/1065148589.db2.gz MTZUXXMSELYKGG-UPVQGACJSA-N 0 0 452.620 4.890 20 0 JJADRN CC(C)NS(=O)(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(C)(C)C ZINC001360312136 1065149202 /nfs/dbraw/zinc/14/92/02/1065149202.db2.gz JETRLESLDVGCSI-UHFFFAOYSA-N 0 0 484.091 4.623 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC[C@](F)(c4ccccc4C)C3)cc2)cc1 ZINC001436056956 1065149441 /nfs/dbraw/zinc/14/94/41/1065149441.db2.gz WEEBDLMWKKHQEY-AREMUKBSSA-N 0 0 451.563 4.988 20 0 JJADRN Cc1c(C(=O)Oc2cc(Br)cc(F)c2F)nnn1-c1ccc(OC(C)C)cc1 ZINC001436057742 1065149869 /nfs/dbraw/zinc/14/98/69/1065149869.db2.gz ZGBBWKDDANBLCZ-UHFFFAOYSA-N 0 0 452.255 4.623 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NCCCc1ccc(Br)cc1F ZINC001360317336 1065150432 /nfs/dbraw/zinc/15/04/32/1065150432.db2.gz PWNSLOZXIQZNGF-UHFFFAOYSA-N 0 0 457.343 4.719 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC001436060229 1065152098 /nfs/dbraw/zinc/15/20/98/1065152098.db2.gz IXGGVWUIIBNYIB-FQQGMQMYSA-N 0 0 450.362 4.910 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001436061261 1065152610 /nfs/dbraw/zinc/15/26/10/1065152610.db2.gz BYURPIOSAYREAC-UHFFFAOYSA-N 0 0 455.442 4.600 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 ZINC001436061064 1065152737 /nfs/dbraw/zinc/15/27/37/1065152737.db2.gz SZRFOXSASRSIIM-CQSZACIVSA-N 0 0 451.548 4.556 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 ZINC001436061063 1065152756 /nfs/dbraw/zinc/15/27/56/1065152756.db2.gz SZRFOXSASRSIIM-AWEZNQCLSA-N 0 0 451.548 4.556 20 0 JJADRN CSc1ccc(/C=C/C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)s1 ZINC001436061908 1065153366 /nfs/dbraw/zinc/15/33/66/1065153366.db2.gz HTVGQVVXHVTNJA-ZZXKWVIFSA-N 0 0 455.418 4.729 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[C@@H]2CCO[C@H](C)C2)CCOC1 ZINC001360319377 1065153517 /nfs/dbraw/zinc/15/35/17/1065153517.db2.gz HCYCCULSJNGMHY-PIXQIBFHSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H]2CSCCS2)CCOC1 ZINC001360319460 1065153552 /nfs/dbraw/zinc/15/35/52/1065153552.db2.gz IHOJXZRUGDELTJ-KPDCDPCYSA-N 0 0 480.675 4.504 20 0 JJADRN 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1065209168 /nfs/dbraw/zinc/20/91/68/1065209168.db2.gz RYONAMNRRDZGFQ-UHFFFAOYSA-N 0 0 455.584 4.785 20 0 JJADRN CC(C)C[C@@](C)(NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc(Br)c1 ZINC001436138443 1065209221 /nfs/dbraw/zinc/20/92/21/1065209221.db2.gz ORXVPUZFESWHGB-HSZRJFAPSA-N 0 0 459.384 4.790 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccco2)cc1 ZINC001360358114 1065209858 /nfs/dbraw/zinc/20/98/58/1065209858.db2.gz XQFILTBPCVIAEA-SFHVURJKSA-N 0 0 479.606 4.896 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001360359381 1065211580 /nfs/dbraw/zinc/21/15/80/1065211580.db2.gz CEPOKOXZSLVNSL-LJQANCHMSA-N 0 0 453.553 4.709 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCC2(F)F)c1 ZINC001360359616 1065211902 /nfs/dbraw/zinc/21/19/02/1065211902.db2.gz GNQDDDHNOCAWKV-HXUWFJFHSA-N 0 0 458.557 4.928 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)Cc2csc(CCC(F)(F)F)n2)c1 ZINC001360359634 1065211936 /nfs/dbraw/zinc/21/19/36/1065211936.db2.gz HRRZLXIATIDPMN-UHFFFAOYSA-N 0 0 454.543 4.908 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001360359774 1065211993 /nfs/dbraw/zinc/21/19/93/1065211993.db2.gz JVDUQCXVJOLKPS-MYIHVTGJSA-N 0 0 486.657 4.557 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)CC1 ZINC001436144925 1065212454 /nfs/dbraw/zinc/21/24/54/1065212454.db2.gz OBTZHDPZDMPVEZ-UHFFFAOYSA-N 0 0 453.471 4.967 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2)c1ccc(F)cc1 ZINC001436144424 1065212564 /nfs/dbraw/zinc/21/25/64/1065212564.db2.gz GLMRDUSLQVXQMH-LJQANCHMSA-N 0 0 457.498 4.783 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(F)cccc2Cl)cn1 ZINC001360359951 1065212593 /nfs/dbraw/zinc/21/25/93/1065212593.db2.gz MJMXVXPFWABLHW-HXUWFJFHSA-N 0 0 459.953 4.789 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H](C)C2)c1 ZINC001360359776 1065212715 /nfs/dbraw/zinc/21/27/15/1065212715.db2.gz JVDUQCXVJOLKPS-ZYVVXELTSA-N 0 0 486.657 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Cc1cc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c2cnn(C(C)C)c2n1 ZINC001436146810 1065213818 /nfs/dbraw/zinc/21/38/18/1065213818.db2.gz SAFFAYSTYVLQFN-UHFFFAOYSA-N 0 0 457.357 4.854 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cscn1 ZINC001360360979 1065214910 /nfs/dbraw/zinc/21/49/10/1065214910.db2.gz BBGQLPWVUOSTBM-UHFFFAOYSA-N 0 0 454.987 4.922 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CN3CCCC3=O)n2C2CC(C(C)(C)C)C2)c1 ZINC001360360952 1065215123 /nfs/dbraw/zinc/21/51/23/1065215123.db2.gz APGULMGQUPBXLO-UHFFFAOYSA-N 0 0 453.631 4.821 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1 ZINC001360361429 1065215514 /nfs/dbraw/zinc/21/55/14/1065215514.db2.gz OYQGLFHAJVVRMY-UHFFFAOYSA-N 0 0 469.014 4.964 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001436149868 1065215615 /nfs/dbraw/zinc/21/56/15/1065215615.db2.gz CXXWMCBQWRFCGH-INIZCTEOSA-N 0 0 459.686 4.900 20 0 JJADRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1I ZINC001436149745 1065215680 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20 0 JJADRN CC(C)(C)OC(=O)COCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC001360362297 1065217701 /nfs/dbraw/zinc/21/77/01/1065217701.db2.gz BFKXRYZHAOKXFK-UHFFFAOYSA-N 0 0 453.539 4.506 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC001436153645 1065217783 /nfs/dbraw/zinc/21/77/83/1065217783.db2.gz DVFSPWAKBVZJKU-UHFFFAOYSA-N 0 0 450.963 4.757 20 0 JJADRN CCN(CC)C(=O)CCC(=O)Nc1sc(Br)cc1C(=O)c1ccc(C)cc1 ZINC001436153058 1065217904 /nfs/dbraw/zinc/21/79/04/1065217904.db2.gz BAPAIRKDSYGNIV-UHFFFAOYSA-N 0 0 451.386 4.637 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1 ZINC001436155076 1065218799 /nfs/dbraw/zinc/21/87/99/1065218799.db2.gz PHOKAZRLZITAMK-DZGCQCFKSA-N 0 0 452.370 4.573 20 0 JJADRN CC(C)OC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360362871 1065218751 /nfs/dbraw/zinc/21/87/51/1065218751.db2.gz YTRKZANOYNNUQF-LJQANCHMSA-N 0 0 463.667 4.617 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363492 1065219371 /nfs/dbraw/zinc/21/93/71/1065219371.db2.gz CZGNMRSBRSSSPH-MRXNPFEDSA-N 0 0 453.926 4.504 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2c(OC)ccc(SC)c2OC)c1C ZINC001436156653 1065219828 /nfs/dbraw/zinc/21/98/28/1065219828.db2.gz VMZBHIVXVKTZRJ-UHFFFAOYSA-N 0 0 454.342 4.536 20 0 JJADRN COC(=O)c1c(C)c(NC(=O)c2c(Cl)nccc2C(F)(F)F)ccc1Br ZINC001436156523 1065219869 /nfs/dbraw/zinc/21/98/69/1065219869.db2.gz UDHVRXMUZSPRAU-UHFFFAOYSA-N 0 0 451.626 4.864 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOC(F)(F)F)CC1 ZINC001360363992 1065220293 /nfs/dbraw/zinc/22/02/93/1065220293.db2.gz IUDDWEJVIGDUCY-UHFFFAOYSA-N 0 0 478.519 4.656 20 0 JJADRN COc1ccc(CCC(=O)N(C)Cc2ccc(Br)cc2Cl)c(OC)c1OC ZINC001436158022 1065220342 /nfs/dbraw/zinc/22/03/42/1065220342.db2.gz UXAZLHFWBNPLKW-UHFFFAOYSA-N 0 0 456.764 4.720 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC001436158048 1065220432 /nfs/dbraw/zinc/22/04/32/1065220432.db2.gz VOVNZKIOHCTPBD-UHFFFAOYSA-N 0 0 458.183 4.925 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360364182 1065220959 /nfs/dbraw/zinc/22/09/59/1065220959.db2.gz KORAEMGGPQYXDI-SFHVURJKSA-N 0 0 455.990 4.855 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360364487 1065221624 /nfs/dbraw/zinc/22/16/24/1065221624.db2.gz ONZAUWKBMZIJTR-UHFFFAOYSA-N 0 0 465.495 4.884 20 0 JJADRN Cc1ccc(Br)c(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC001436160774 1065221944 /nfs/dbraw/zinc/22/19/44/1065221944.db2.gz MBYMOIRDEFXZBD-MRXNPFEDSA-N 0 0 456.167 4.990 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)c1Br ZINC001436161039 1065222011 /nfs/dbraw/zinc/22/20/11/1065222011.db2.gz FTTUGZZXSKNFIO-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360364752 1065222105 /nfs/dbraw/zinc/22/21/05/1065222105.db2.gz RJLRMMQPMLSYIT-UHFFFAOYSA-N 0 0 483.613 4.952 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 ZINC001360364913 1065222624 /nfs/dbraw/zinc/22/26/24/1065222624.db2.gz PFXFBHFRHRPADW-OAQYLSRUSA-N 0 0 475.678 4.977 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2Br)CC1 ZINC001360364872 1065222636 /nfs/dbraw/zinc/22/26/36/1065222636.db2.gz UNVKLCZVUGCQAW-UHFFFAOYSA-N 0 0 456.388 4.545 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1C[C@@H](OC)C(C)(C)C ZINC001545895826 1065222698 /nfs/dbraw/zinc/22/26/98/1065222698.db2.gz GKFYLRFOTJQJLY-AZUAARDMSA-N 0 0 490.718 4.715 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1C[C@H](OC)C(C)(C)C ZINC001545895828 1065222722 /nfs/dbraw/zinc/22/27/22/1065222722.db2.gz GKFYLRFOTJQJLY-QUCCMNQESA-N 0 0 490.718 4.715 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cnn1-c1cccc(C)c1 ZINC001436161964 1065222792 /nfs/dbraw/zinc/22/27/92/1065222792.db2.gz TWXFAODQBMYYSO-FQEVSTJZSA-N 0 0 457.361 4.721 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c(F)c1 ZINC001436163413 1065223255 /nfs/dbraw/zinc/22/32/55/1065223255.db2.gz DQQQLYWCKKFDQM-UHFFFAOYSA-N 0 0 451.155 4.701 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001436162917 1065223330 /nfs/dbraw/zinc/22/33/30/1065223330.db2.gz FNELEFCMCAIRMQ-JOCHJYFZSA-N 0 0 454.567 4.747 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC001360365843 1065223751 /nfs/dbraw/zinc/22/37/51/1065223751.db2.gz CEGAWMYAQBMFRH-LGVFNWMJSA-N 0 0 454.636 4.509 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001436164363 1065223807 /nfs/dbraw/zinc/22/38/07/1065223807.db2.gz ANDKTSLHVJJFQY-FHSNZYRGSA-N 0 0 459.812 4.795 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC001436163809 1065223833 /nfs/dbraw/zinc/22/38/33/1065223833.db2.gz GTEJOKZWXVBQDF-LJQANCHMSA-N 0 0 455.530 4.517 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C ZINC001436164287 1065223938 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CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C(C)(C)C)no2)CCO1 ZINC001360370803 1065230518 /nfs/dbraw/zinc/23/05/18/1065230518.db2.gz RXKXTZKZZNONFV-FQEVSTJZSA-N 0 0 474.005 4.563 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2SCCc3ccccc32)CCO1 ZINC001360371219 1065230933 /nfs/dbraw/zinc/23/09/33/1065230933.db2.gz ARJKGKZQARQWEG-IFMALSPDSA-N 0 0 458.672 4.528 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CCCS2)CCO1 ZINC001360371068 1065230959 /nfs/dbraw/zinc/23/09/59/1065230959.db2.gz XUVDEUIGVCHHTR-JTSKRJEESA-N 0 0 495.487 4.624 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1Cl ZINC001360372139 1065231618 /nfs/dbraw/zinc/23/16/18/1065231618.db2.gz IZTULKVGXRYWKO-MRXNPFEDSA-N 0 0 455.407 4.700 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C ZINC001436179837 1065231943 /nfs/dbraw/zinc/23/19/43/1065231943.db2.gz MQBBRZWYYGJRKU-INIZCTEOSA-N 0 0 457.378 4.858 20 0 JJADRN 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ZINC001436183563 1065235556 /nfs/dbraw/zinc/23/55/56/1065235556.db2.gz VVGPWXLWUVKNNB-QGZVFWFLSA-N 0 0 451.995 4.844 20 0 JJADRN CC(C)OCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360376612 1065235575 /nfs/dbraw/zinc/23/55/75/1065235575.db2.gz JMWHPQLGHDKSLW-QGZVFWFLSA-N 0 0 488.526 4.656 20 0 JJADRN CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001360376747 1065236288 /nfs/dbraw/zinc/23/62/88/1065236288.db2.gz NDSCKYDQRRTUAP-IFMALSPDSA-N 0 0 462.598 4.513 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)cnn1-c1ccccc1Cl ZINC001436185758 1065236772 /nfs/dbraw/zinc/23/67/72/1065236772.db2.gz IIIDQRFXACVCAG-LJQANCHMSA-N 0 0 458.990 4.697 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001436187071 1065237608 /nfs/dbraw/zinc/23/76/08/1065237608.db2.gz XXNUYTAGZZCGFG-CQSZACIVSA-N 0 0 456.283 4.743 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC001436187290 1065237623 /nfs/dbraw/zinc/23/76/23/1065237623.db2.gz SKSVIMYNAQUPJY-AWEZNQCLSA-N 0 0 459.331 4.591 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCn1cc(Br)cn1 ZINC001436187503 1065238128 /nfs/dbraw/zinc/23/81/28/1065238128.db2.gz AUKLISOZMBXQBB-VSZBSBQGSA-N 0 0 457.199 4.967 20 0 JJADRN O=C(NCCn1cc(Br)cn1)c1ccccc1CSc1nc2ccccc2o1 ZINC001436188489 1065238558 /nfs/dbraw/zinc/23/85/58/1065238558.db2.gz LSVOYYMDHKGQAH-UHFFFAOYSA-N 0 0 457.353 4.509 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC001436188200 1065238640 /nfs/dbraw/zinc/23/86/40/1065238640.db2.gz YSZMWLSUZKTGAX-JOCHJYFZSA-N 0 0 453.995 4.923 20 0 JJADRN CNC(=O)c1cccc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1Br ZINC001436188815 1065239116 /nfs/dbraw/zinc/23/91/16/1065239116.db2.gz AYGCAZVRACDOFM-UHFFFAOYSA-N 0 0 459.237 4.637 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360378833 1065239249 /nfs/dbraw/zinc/23/92/49/1065239249.db2.gz CVLFMSGSIUQCMJ-JOCHJYFZSA-N 0 0 492.668 4.830 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360378913 1065239306 /nfs/dbraw/zinc/23/93/06/1065239306.db2.gz FKGDQNXPCIMINY-UHFFFAOYSA-N 0 0 470.415 4.871 20 0 JJADRN CCc1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c2c(CC(C)(C)C)noc2n1 ZINC001436189979 1065239632 /nfs/dbraw/zinc/23/96/32/1065239632.db2.gz NCQYKZWLUPRRHK-SFHVURJKSA-N 0 0 456.587 4.601 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc3ncsc3c2)C1=O ZINC001436189293 1065239711 /nfs/dbraw/zinc/23/97/11/1065239711.db2.gz HNSRZMRRZKMTHP-KRWDZBQOSA-N 0 0 458.381 4.601 20 0 JJADRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC001436189314 1065239768 /nfs/dbraw/zinc/23/97/68/1065239768.db2.gz FOZBIEJNXAUFPF-UHFFFAOYSA-N 0 0 457.548 4.751 20 0 JJADRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001436189172 1065239833 /nfs/dbraw/zinc/23/98/33/1065239833.db2.gz DKONWXSBQATRPA-UHFFFAOYSA-N 0 0 450.670 4.574 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001360379074 1065239826 /nfs/dbraw/zinc/23/98/26/1065239826.db2.gz KIBSWNFKCILFPE-HXUWFJFHSA-N 0 0 455.990 4.856 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001436190361 1065240243 /nfs/dbraw/zinc/24/02/43/1065240243.db2.gz FWEVWDRXMRGVCC-HNNXBMFYSA-N 0 0 454.876 4.678 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001436190096 1065240368 /nfs/dbraw/zinc/24/03/68/1065240368.db2.gz IQFWVIHYBNSTNK-HNNXBMFYSA-N 0 0 457.573 4.656 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001436190250 1065240382 /nfs/dbraw/zinc/24/03/82/1065240382.db2.gz CTMKHFPPSJOPGX-WMVAVLGLSA-N 0 0 450.579 4.742 20 0 JJADRN CC(C)OCCCCn1c(-c2cccn2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001360379485 1065240519 /nfs/dbraw/zinc/24/05/19/1065240519.db2.gz YTHUAJJCQGBCIQ-UHFFFAOYSA-N 0 0 479.551 4.546 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379710 1065240939 /nfs/dbraw/zinc/24/09/39/1065240939.db2.gz DRVKTIRBKQYKGB-VXKWHMMOSA-N 0 0 472.605 4.616 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360379740 1065240974 /nfs/dbraw/zinc/24/09/74/1065240974.db2.gz FEROFWZFEYQYLY-VXKWHMMOSA-N 0 0 493.693 4.808 20 0 JJADRN CC(C)OCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1cccs1 ZINC001360380295 1065241589 /nfs/dbraw/zinc/24/15/89/1065241589.db2.gz SCUANBBAUODKNV-GOSISDBHSA-N 0 0 480.638 4.656 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001436192432 1065241986 /nfs/dbraw/zinc/24/19/86/1065241986.db2.gz QRHVYCYLNONAEX-CYBMUJFWSA-N 0 0 457.518 4.890 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360380430 1065242190 /nfs/dbraw/zinc/24/21/90/1065242190.db2.gz WBMCXZLORWHXKV-FCHUYYIVSA-N 0 0 464.557 4.581 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3nc(N(C)C)ncc3Br)sc2C1 ZINC001436195221 1065242805 /nfs/dbraw/zinc/24/28/05/1065242805.db2.gz UCAIDYXPGDFHQG-LLVKDONJSA-N 0 0 452.422 4.555 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)c1 ZINC001436195569 1065242820 /nfs/dbraw/zinc/24/28/20/1065242820.db2.gz NNKSFTRPIWZXGY-HSZRJFAPSA-N 0 0 457.615 4.566 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360382151 1065243007 /nfs/dbraw/zinc/24/30/07/1065243007.db2.gz HLTRVJZDSFCANE-UHFFFAOYSA-N 0 0 456.484 4.900 20 0 JJADRN COc1ccc(C(=O)N([C@H](C)c2ccccc2)C2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC001436194344 1065242967 /nfs/dbraw/zinc/24/29/67/1065242967.db2.gz DSOXAKUPCFXJIK-LJQANCHMSA-N 0 0 456.608 4.626 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)c1 ZINC001436195571 1065243092 /nfs/dbraw/zinc/24/30/92/1065243092.db2.gz NNKSFTRPIWZXGY-QHCPKHFHSA-N 0 0 457.615 4.566 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360382452 1065244089 /nfs/dbraw/zinc/24/40/89/1065244089.db2.gz PZAHZWJBFFUEMS-NRFANRHFSA-N 0 0 492.064 4.831 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001360382427 1065244103 /nfs/dbraw/zinc/24/41/03/1065244103.db2.gz PATJWNFKRQVXIC-UHFFFAOYSA-N 0 0 491.562 4.526 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(F)c3occc32)C1=O ZINC001436196789 1065244120 /nfs/dbraw/zinc/24/41/20/1065244120.db2.gz RXPDMLXHEYVPDZ-GOSISDBHSA-N 0 0 459.315 4.877 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 ZINC001360382446 1065244139 /nfs/dbraw/zinc/24/41/39/1065244139.db2.gz PRWGCNOWDSRBEI-NRFANRHFSA-N 0 0 479.666 4.561 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001360383060 1065245263 /nfs/dbraw/zinc/24/52/63/1065245263.db2.gz JIQXUNVVWXQSRQ-NHCUHLMSSA-N 0 0 466.985 4.705 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1sccc1Br ZINC001545896053 1065245608 /nfs/dbraw/zinc/24/56/08/1065245608.db2.gz KKSQXFZZETVPNZ-CQSZACIVSA-N 0 0 468.465 4.695 20 0 JJADRN CC(C)OCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360383399 1065245673 /nfs/dbraw/zinc/24/56/73/1065245673.db2.gz RUEDJDJMYOHOCX-TZIWHRDSSA-N 0 0 489.636 4.503 20 0 JJADRN CC(C)OCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001360383338 1065245775 /nfs/dbraw/zinc/24/57/75/1065245775.db2.gz QKCKWYNOZLTTSB-KGVIQGDOSA-N 0 0 463.022 4.890 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360383380 1065245826 /nfs/dbraw/zinc/24/58/26/1065245826.db2.gz RJFDXKOMQGBDEN-QHAWAJNXSA-N 0 0 450.668 4.653 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H](C[C@@H]3CCCO3)C(F)(F)F)c2)c1 ZINC001436198493 1065246222 /nfs/dbraw/zinc/24/62/22/1065246222.db2.gz BNTGZWZOTWOMCW-KKSFZXQISA-N 0 0 453.457 4.860 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001360383542 1065246276 /nfs/dbraw/zinc/24/62/76/1065246276.db2.gz WEIRJABMQFOBMJ-JOCHJYFZSA-N 0 0 464.557 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001360383657 1065246449 /nfs/dbraw/zinc/24/64/49/1065246449.db2.gz AHJHZVSEAYWSIB-IBGZPJMESA-N 0 0 456.562 4.545 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)C1 ZINC001436200354 1065246676 /nfs/dbraw/zinc/24/66/76/1065246676.db2.gz MVYZZZQMMBFODT-XLIONFOSSA-N 0 0 459.823 4.553 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccccc3S[C@H](C)C(N)=O)s2)cc1 ZINC001360384450 1065247343 /nfs/dbraw/zinc/24/73/43/1065247343.db2.gz WPNCYUUDBFONIU-DZGCQCFKSA-N 0 0 455.605 4.584 20 0 JJADRN Cc1cc(-c2cc(C(=O)N3C[C@@H](C(F)(F)F)OC[C@@H]3C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001436200569 1065247428 /nfs/dbraw/zinc/24/74/28/1065247428.db2.gz OCWVQDLWAAPOKG-BUXKBTBVSA-N 0 0 450.461 4.681 20 0 JJADRN Cc1cc(-c2cc(C(=O)N3C[C@@H](C(F)(F)F)OC[C@H]3C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001436200568 1065247451 /nfs/dbraw/zinc/24/74/51/1065247451.db2.gz OCWVQDLWAAPOKG-BLVKFPJESA-N 0 0 450.461 4.681 20 0 JJADRN Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](C)C3)nnn1-c1ccccc1 ZINC001436201353 1065247922 /nfs/dbraw/zinc/24/79/22/1065247922.db2.gz JTPHJXSTSKNFKP-CQSZACIVSA-N 0 0 452.580 4.970 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccnc(OC(F)F)c2)cc1 ZINC001436201523 1065247973 /nfs/dbraw/zinc/24/79/73/1065247973.db2.gz UUGGYRGAIAAQKB-UHFFFAOYSA-N 0 0 452.436 4.913 20 0 JJADRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CC[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001436201935 1065248031 /nfs/dbraw/zinc/24/80/31/1065248031.db2.gz WWKZDASNQPSJQI-BPQIPLTHSA-N 0 0 450.542 4.809 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC001436202293 1065248395 /nfs/dbraw/zinc/24/83/95/1065248395.db2.gz AOZLRMMLKQVKGL-LLVKDONJSA-N 0 0 452.545 4.773 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)c1 ZINC001436203068 1065248964 /nfs/dbraw/zinc/24/89/64/1065248964.db2.gz UYFDGOVLBDQJOH-UHFFFAOYSA-N 0 0 457.353 4.743 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360385683 1065249136 /nfs/dbraw/zinc/24/91/36/1065249136.db2.gz IOQSIGLSUGDFSF-TZMCWYRMSA-N 0 0 497.381 4.740 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 ZINC001360385823 1065249228 /nfs/dbraw/zinc/24/92/28/1065249228.db2.gz KZPAUFOSXKFDBM-MRXNPFEDSA-N 0 0 451.384 4.898 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360385679 1065249283 /nfs/dbraw/zinc/24/92/83/1065249283.db2.gz IOQSIGLSUGDFSF-GXTWGEPZSA-N 0 0 497.381 4.740 20 0 JJADRN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 ZINC001436204671 1065249885 /nfs/dbraw/zinc/24/98/85/1065249885.db2.gz HUUAVCKJSCLHKC-JTSKRJEESA-N 0 0 454.617 4.756 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001436205409 1065250543 /nfs/dbraw/zinc/25/05/43/1065250543.db2.gz RUNQLBTYMWBFGO-NRFANRHFSA-N 0 0 450.913 4.995 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001436206211 1065250672 /nfs/dbraw/zinc/25/06/72/1065250672.db2.gz QGPISRZURNEZRX-ILZDJORESA-N 0 0 475.770 4.588 20 0 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RMORMZBYZSUOQG-MBSDFSHPSA-N 0 0 452.501 4.823 20 0 JJADRN CN(Cc1ccccc1NC(=O)c1ccc(OC(F)F)cn1)C(=O)c1cc2ccccc2o1 ZINC001360432429 1065309778 /nfs/dbraw/zinc/30/97/78/1065309778.db2.gz MNBGGJTYHISLHX-UHFFFAOYSA-N 0 0 451.429 4.954 20 0 JJADRN CC(C)C1(NC(=O)[C@@H](C)Oc2c(I)cc(Cl)c3cccnc32)CC1 ZINC001436400727 1065310419 /nfs/dbraw/zinc/31/04/19/1065310419.db2.gz MGBRKLLQPJZZTK-LLVKDONJSA-N 0 0 458.727 4.565 20 0 JJADRN CCc1noc(C)c1CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001436402307 1065310508 /nfs/dbraw/zinc/31/05/08/1065310508.db2.gz JGLKOHYHLKQPQT-UHFFFAOYSA-N 0 0 458.301 4.583 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC001436402235 1065310530 /nfs/dbraw/zinc/31/05/30/1065310530.db2.gz PJIOWCDXEYEABI-SFHVURJKSA-N 0 0 454.368 4.657 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001360433207 1065311231 /nfs/dbraw/zinc/31/12/31/1065311231.db2.gz YCCMZYIBOGZJOP-FQEVSTJZSA-N 0 0 455.283 4.783 20 0 JJADRN 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O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(Cl)ccc1I ZINC001436418986 1065313945 /nfs/dbraw/zinc/31/39/45/1065313945.db2.gz WOXHCDMPPVFMNW-UHFFFAOYSA-N 0 0 451.695 4.702 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)ccc2I)c(OCC2CC2)c1 ZINC001436423193 1065314478 /nfs/dbraw/zinc/31/44/78/1065314478.db2.gz YLUZRKSARDULAE-UHFFFAOYSA-N 0 0 457.695 4.994 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)cc1 ZINC001360435394 1065315145 /nfs/dbraw/zinc/31/51/45/1065315145.db2.gz DOIZXQFSYLNGKK-YADARESESA-N 0 0 456.608 4.624 20 0 JJADRN Cn1ncc(Br)c1CC(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360435954 1065315863 /nfs/dbraw/zinc/31/58/63/1065315863.db2.gz JQWZIXBSEUEZQO-LJQANCHMSA-N 0 0 454.702 4.563 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cn(Cc2cccc(F)c2)nn1 ZINC001360435402 1065316030 /nfs/dbraw/zinc/31/60/30/1065316030.db2.gz DTFGFJWWLMNDHQ-QFIPXVFZSA-N 0 0 456.855 4.917 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c2ccccc2)c(C)c1 ZINC001436426916 1065316024 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MKZBORPTVDJAAK-LJQANCHMSA-N 0 0 467.639 4.911 20 0 JJADRN Cc1cc(C(=O)NCc2cc(C3CC3)ccc2F)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001436439642 1065319582 /nfs/dbraw/zinc/31/95/82/1065319582.db2.gz PQXRZEONPKGCKN-UHFFFAOYSA-N 0 0 458.599 4.671 20 0 JJADRN O=C(CSc1ncnc2cc(-c3ccc(Br)cc3)sc21)NC(CF)CF ZINC001436439301 1065319620 /nfs/dbraw/zinc/31/96/20/1065319620.db2.gz NXXDHMIEEWHRKX-UHFFFAOYSA-N 0 0 458.353 4.637 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360438655 1065320524 /nfs/dbraw/zinc/32/05/24/1065320524.db2.gz CUWKHKKCJYXZDU-TXULOHPCSA-N 0 0 491.702 4.814 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360438966 1065321028 /nfs/dbraw/zinc/32/10/28/1065321028.db2.gz FHKGFVLKGJRSSQ-AAWXLGIOSA-N 0 0 458.672 4.812 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360438967 1065321110 /nfs/dbraw/zinc/32/11/10/1065321110.db2.gz FHKGFVLKGJRSSQ-CEJNMYTFSA-N 0 0 458.672 4.812 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001436445030 1065321116 /nfs/dbraw/zinc/32/11/16/1065321116.db2.gz NFBJWFNMVOLZTM-SECBINFHSA-N 0 0 457.337 4.650 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccsc1 ZINC001360439273 1065321169 /nfs/dbraw/zinc/32/11/69/1065321169.db2.gz HJJYGEAYCVKBOJ-NGFZZCCESA-N 0 0 472.680 4.840 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001436448168 1065321677 /nfs/dbraw/zinc/32/16/77/1065321677.db2.gz ZVIDZBOUBLKOKB-SYNHAJSKSA-N 0 0 454.514 4.624 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F ZINC001360439522 1065321732 /nfs/dbraw/zinc/32/17/32/1065321732.db2.gz KALMIXPSFYWQFY-YSVRNHBLSA-N 0 0 453.534 4.797 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CC1CC(F)(F)C1 ZINC001360439372 1065321890 /nfs/dbraw/zinc/32/18/90/1065321890.db2.gz ISIZJMDJDLQPED-INIZCTEOSA-N 0 0 466.598 4.657 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001360440052 1065322909 /nfs/dbraw/zinc/32/29/09/1065322909.db2.gz NZTZHRMQPSTSRO-WRVJEFQNSA-N 0 0 450.599 4.946 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC001436458553 1065322991 /nfs/dbraw/zinc/32/29/91/1065322991.db2.gz VIECTPGSJSYRPF-LBPRGKRZSA-N 0 0 452.711 4.511 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1cc2ccccc2s1 ZINC001436455568 1065323188 /nfs/dbraw/zinc/32/31/88/1065323188.db2.gz CGFRKUCBDKXARA-ZDUSSCGKSA-N 0 0 453.379 4.817 20 0 JJADRN C[C@H](OC(=O)c1ccc(F)c(I)c1)c1ccc(-n2cccn2)c(F)c1 ZINC001436463071 1065324340 /nfs/dbraw/zinc/32/43/40/1065324340.db2.gz CTLISRHUZLJKKR-NSHDSACASA-N 0 0 454.214 4.673 20 0 JJADRN COc1ccc(COCCC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 ZINC001436463214 1065324510 /nfs/dbraw/zinc/32/45/10/1065324510.db2.gz LGZXUILRYDIWCH-UHFFFAOYSA-N 0 0 452.776 4.866 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(OCC3CC3)c(Cl)c2)CC1=O ZINC001436463943 1065324532 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FFKMZWUWJZIEFP-UUOWRZLLSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CCCc1nccs1 ZINC001360442350 1065327407 /nfs/dbraw/zinc/32/74/07/1065327407.db2.gz MMPDTIKWEJSYBN-SJVACNJSSA-N 0 0 473.668 4.544 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F ZINC001360442329 1065327459 /nfs/dbraw/zinc/32/74/59/1065327459.db2.gz METVARKHRUMEOO-GKWXAOOVSA-N 0 0 466.598 4.542 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001436472116 1065327654 /nfs/dbraw/zinc/32/76/54/1065327654.db2.gz JKWKKCOEGNFJNX-YWZLYKJASA-N 0 0 455.530 4.879 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1ccccn1 ZINC001360442533 1065328112 /nfs/dbraw/zinc/32/81/12/1065328112.db2.gz OXUXNQNWNGMGKT-AONNBLCTSA-N 0 0 468.671 4.699 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1ccccn1 ZINC001360442536 1065328219 /nfs/dbraw/zinc/32/82/19/1065328219.db2.gz OXUXNQNWNGMGKT-FPYOTAMTSA-N 0 0 468.671 4.699 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1Cc1ccnc(OC(F)F)c1 ZINC001360443090 1065328811 /nfs/dbraw/zinc/32/88/11/1065328811.db2.gz WJMVLNRVRNTIMU-RZCFMFBHSA-N 0 0 491.608 4.846 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2nc(OC)c(C)cc2C)c1 ZINC001436482272 1065330364 /nfs/dbraw/zinc/33/03/64/1065330364.db2.gz IGJAFKGKSKMPMO-UHFFFAOYSA-N 0 0 457.530 4.984 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360443857 1065330565 /nfs/dbraw/zinc/33/05/65/1065330565.db2.gz IQOYWARVJLFDJS-LRYGQEGESA-N 0 0 479.547 4.786 20 0 JJADRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CCC(C)(C)C1CC1 ZINC001360443805 1065330683 /nfs/dbraw/zinc/33/06/83/1065330683.db2.gz HFSROBAYHHZJGG-SFHVURJKSA-N 0 0 473.687 4.682 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(SC(C)(C)C)c(F)c2)cc1S(=O)(=O)NC(C)C ZINC001436484412 1065331267 /nfs/dbraw/zinc/33/12/67/1065331267.db2.gz KJKCORCWJBAOKU-UHFFFAOYSA-N 0 0 454.589 4.664 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360444285 1065331239 /nfs/dbraw/zinc/33/12/39/1065331239.db2.gz QZPINJKJLDMTHT-IBGZPJMESA-N 0 0 490.608 4.810 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCOC(F)(F)F ZINC001360444272 1065331293 /nfs/dbraw/zinc/33/12/93/1065331293.db2.gz QKEZRZHDZJGTRE-LBPRGKRZSA-N 0 0 488.308 4.865 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360444619 1065331940 /nfs/dbraw/zinc/33/19/40/1065331940.db2.gz WBQTUGMZKQRWSO-INIZCTEOSA-N 0 0 499.015 4.763 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)CCCO1 ZINC001436486918 1065332026 /nfs/dbraw/zinc/33/20/26/1065332026.db2.gz NAEPOLGPQOZJJD-JOCHJYFZSA-N 0 0 454.368 4.946 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC001360444960 1065332707 /nfs/dbraw/zinc/33/27/07/1065332707.db2.gz MSEYQOHBWKJHDS-MRXNPFEDSA-N 0 0 451.365 4.605 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC001436489272 1065333194 /nfs/dbraw/zinc/33/31/94/1065333194.db2.gz KBNDCPSTSAYSEB-UHFFFAOYSA-N 0 0 459.474 4.675 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)OCc1ccc(OC)cc1OC(F)F ZINC001360445272 1065333185 /nfs/dbraw/zinc/33/31/85/1065333185.db2.gz XMSUIEXDZFCIGT-SJORKVTESA-N 0 0 453.438 4.603 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)c2ccccc2)cc1 ZINC001436488634 1065333285 /nfs/dbraw/zinc/33/32/85/1065333285.db2.gz IBQWXIMJMQCVOB-XMMPIXPASA-N 0 0 453.542 4.655 20 0 JJADRN Cc1cc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc(C)c1OC(F)F ZINC001436491044 1065333617 /nfs/dbraw/zinc/33/36/17/1065333617.db2.gz JSXLHAKGRBLCNT-UHFFFAOYSA-N 0 0 452.501 4.883 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cc1 ZINC001436490891 1065333668 /nfs/dbraw/zinc/33/36/68/1065333668.db2.gz KWMQZAXHOGVFCK-INIZCTEOSA-N 0 0 459.262 4.787 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360445711 1065333773 /nfs/dbraw/zinc/33/37/73/1065333773.db2.gz HTNRUFIBEMTFNK-MSOLQXFVSA-N 0 0 461.557 4.519 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cc1 ZINC001436490894 1065333702 /nfs/dbraw/zinc/33/37/02/1065333702.db2.gz KWMQZAXHOGVFCK-MRXNPFEDSA-N 0 0 459.262 4.787 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cc1 ZINC001436490072 1065333747 /nfs/dbraw/zinc/33/37/47/1065333747.db2.gz IKFJLQZQZMRHGQ-CKUKBARFSA-N 0 0 457.246 4.899 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC001360445566 1065333870 /nfs/dbraw/zinc/33/38/70/1065333870.db2.gz FJZIPCRXBRRTGJ-SJORKVTESA-N 0 0 471.627 4.747 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360445712 1065334346 /nfs/dbraw/zinc/33/43/46/1065334346.db2.gz HTNRUFIBEMTFNK-QZTJIDSGSA-N 0 0 461.557 4.519 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360445880 1065334443 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/nfs/dbraw/zinc/33/62/85/1065336285.db2.gz WQDDRPOQBDGXKJ-OZXSUGGESA-N 0 0 459.590 4.908 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360446360 1065336281 /nfs/dbraw/zinc/33/62/81/1065336281.db2.gz UDZKSEKUHWETLZ-URVUXULASA-N 0 0 499.656 4.722 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1CCc1cccs1 ZINC001360448148 1065338040 /nfs/dbraw/zinc/33/80/40/1065338040.db2.gz LFWCPIKZCDRGCF-HXUWFJFHSA-N 0 0 465.667 4.971 20 0 JJADRN CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001360448131 1065338210 /nfs/dbraw/zinc/33/82/10/1065338210.db2.gz KXOMEVLOTPOMGG-NRFANRHFSA-N 0 0 462.642 4.602 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360448010 1065338225 /nfs/dbraw/zinc/33/82/25/1065338225.db2.gz IKRDZVDAXUBYII-WOJBJXKFSA-N 0 0 497.594 4.607 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(C(C)(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360448066 1065338260 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20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)CC(F)(F)F ZINC001360449888 1065340736 /nfs/dbraw/zinc/34/07/36/1065340736.db2.gz BPJZFBVESPCRIC-DFQSSKMNSA-N 0 0 467.580 4.888 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(F)(F)C1 ZINC001360450159 1065341294 /nfs/dbraw/zinc/34/12/94/1065341294.db2.gz HWPQOFVPMBKKMQ-SJORKVTESA-N 0 0 459.566 4.902 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC(F)(F)F ZINC001360450097 1065341303 /nfs/dbraw/zinc/34/13/03/1065341303.db2.gz GXZPPEHFVCIGPA-SFHVURJKSA-N 0 0 489.546 4.576 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)O ZINC001360450061 1065341341 /nfs/dbraw/zinc/34/13/41/1065341341.db2.gz GHFBOAIQJCOCES-FPOVZHCZSA-N 0 0 471.646 4.751 20 0 JJADRN COc1cc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)cc(Cl)c1OCC(C)C ZINC001436523119 1065342130 /nfs/dbraw/zinc/34/21/30/1065342130.db2.gz FUMZREZJZHBPLW-UHFFFAOYSA-N 0 0 458.986 4.647 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360450538 1065342344 /nfs/dbraw/zinc/34/23/44/1065342344.db2.gz NYVZOWQPTCSLKS-HNNXBMFYSA-N 0 0 458.513 4.985 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 ZINC001360450535 1065342372 /nfs/dbraw/zinc/34/23/72/1065342372.db2.gz NYLHKPKVTZCWKM-JBACZVJFSA-N 0 0 455.603 4.727 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001360450666 1065342499 /nfs/dbraw/zinc/34/24/99/1065342499.db2.gz QASUZRZAUHRJCJ-BGWNEDDSSA-N 0 0 467.658 4.797 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001360450667 1065342581 /nfs/dbraw/zinc/34/25/81/1065342581.db2.gz QASUZRZAUHRJCJ-KIFXHHALSA-N 0 0 467.658 4.797 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360450724 1065343113 /nfs/dbraw/zinc/34/31/13/1065343113.db2.gz RGNZNGNHQXKWPS-KRWDZBQOSA-N 0 0 467.499 4.513 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCSC1 ZINC001360450757 1065343129 /nfs/dbraw/zinc/34/31/29/1065343129.db2.gz RWLQZRSXNFGHOM-ZWKOTPCHSA-N 0 0 455.653 4.610 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2ccncc2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360451411 1065343667 /nfs/dbraw/zinc/34/36/67/1065343667.db2.gz ZYNNMBBYLPGPAM-GOSISDBHSA-N 0 0 482.510 4.954 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360451246 1065343691 /nfs/dbraw/zinc/34/36/91/1065343691.db2.gz XWZJLMKJAKRYDX-OAHLLOKOSA-N 0 0 489.933 4.915 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)cc2)C[C@H](C)O1 ZINC001436525706 1065343954 /nfs/dbraw/zinc/34/39/54/1065343954.db2.gz HCESIMSMHTWAEF-ROUUACIJSA-N 0 0 457.412 4.563 20 0 JJADRN Cc1c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cnn1-c1cccc(Br)c1 ZINC001360451720 1065344160 /nfs/dbraw/zinc/34/41/60/1065344160.db2.gz XRASUKRIPHRTDJ-UHFFFAOYSA-N 0 0 452.352 4.678 20 0 JJADRN CCCc1nc(C(=O)NC2(Cc3ccccc3Br)CC2)nn1-c1ccccc1F ZINC001436526641 1065344581 /nfs/dbraw/zinc/34/45/81/1065344581.db2.gz LPACQUOFVYVCDX-UHFFFAOYSA-N 0 0 457.347 4.627 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360451980 1065344667 /nfs/dbraw/zinc/34/46/67/1065344667.db2.gz DMKSTRCDJRKNCB-SFHVURJKSA-N 0 0 476.604 4.735 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(F)(F)F ZINC001360451992 1065344681 /nfs/dbraw/zinc/34/46/81/1065344681.db2.gz DPVUTTLMRBNFDC-CQSZACIVSA-N 0 0 464.467 4.850 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360452037 1065344719 /nfs/dbraw/zinc/34/47/19/1065344719.db2.gz FRBYGWSUMKVLNV-RLLQIKCJSA-N 0 0 451.571 4.888 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)nc21 ZINC001436527285 1065345297 /nfs/dbraw/zinc/34/52/97/1065345297.db2.gz IRIUSVPNJRZZIF-HNNXBMFYSA-N 0 0 456.955 4.797 20 0 JJADRN Cc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1-c1cnn(C)c1 ZINC001436527912 1065345352 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/nfs/dbraw/zinc/34/60/62/1065346062.db2.gz LROWHYZJDHMUEG-ZIGWAZCJSA-N 0 0 495.624 4.747 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC001436531670 1065347270 /nfs/dbraw/zinc/34/72/70/1065347270.db2.gz QLNNXGOBNAGHAT-HNNXBMFYSA-N 0 0 458.331 4.808 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001360452953 1065347763 /nfs/dbraw/zinc/34/77/63/1065347763.db2.gz BRQBQWWBIXMOGH-ZDUSSCGKSA-N 0 0 452.864 4.872 20 0 JJADRN COCc1cc(CNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)ccc1F ZINC001360453821 1065348521 /nfs/dbraw/zinc/34/85/21/1065348521.db2.gz UZQOVRPPOFNJPA-UHFFFAOYSA-N 0 0 451.329 4.913 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CCO1 ZINC001360453856 1065348592 /nfs/dbraw/zinc/34/85/92/1065348592.db2.gz WOQQDECPMOHIQH-WMZHIEFXSA-N 0 0 453.583 4.896 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccncc1Cl ZINC001360453882 1065348723 /nfs/dbraw/zinc/34/87/23/1065348723.db2.gz AGLHKDSXOAJHOU-LBPRGKRZSA-N 0 0 461.751 4.923 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1Cl ZINC001436537211 1065350045 /nfs/dbraw/zinc/35/00/45/1065350045.db2.gz PWSJWQXCGJFZDV-HZPDHXFCSA-N 0 0 458.942 4.547 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(N4CCCNC4=O)cc3)cs2)cc1 ZINC001436537849 1065350105 /nfs/dbraw/zinc/35/01/05/1065350105.db2.gz HDLPZLBCSWVGKF-MRXNPFEDSA-N 0 0 450.564 4.620 20 0 JJADRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc(Br)sc1Br ZINC001436537983 1065350695 /nfs/dbraw/zinc/35/06/95/1065350695.db2.gz XABDZTLKASIFRB-UHFFFAOYSA-N 0 0 458.097 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCOc2ccc(Cl)c(Cl)c2)C1 ZINC001436538204 1065350742 /nfs/dbraw/zinc/35/07/42/1065350742.db2.gz MGNYYEWXGSNNJX-INIZCTEOSA-N 0 0 457.398 4.916 20 0 JJADRN Cc1csc([C@@H](NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)C(F)(F)F)n1 ZINC001436538509 1065350785 /nfs/dbraw/zinc/35/07/85/1065350785.db2.gz BCLWMROEPDEADO-MRXNPFEDSA-N 0 0 458.868 4.952 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001360454166 1065350805 /nfs/dbraw/zinc/35/08/05/1065350805.db2.gz DYOKQFNHTQOLTA-BEFAXECRSA-N 0 0 497.949 4.884 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001360454169 1065350814 /nfs/dbraw/zinc/35/08/14/1065350814.db2.gz DYOKQFNHTQOLTA-KXBFYZLASA-N 0 0 497.949 4.884 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCCC1=O ZINC001360454341 1065351235 /nfs/dbraw/zinc/35/12/35/1065351235.db2.gz IBTSAZMRTHNNRG-QGZVFWFLSA-N 0 0 486.414 4.901 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)c2)ccn1 ZINC001436540158 1065351278 /nfs/dbraw/zinc/35/12/78/1065351278.db2.gz DABXJZLQFQYKJV-UHFFFAOYSA-N 0 0 455.436 4.923 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cccc(OCc2cccnc2)c1 ZINC001436540231 1065351427 /nfs/dbraw/zinc/35/14/27/1065351427.db2.gz QJWURASBLRPUOK-UHFFFAOYSA-N 0 0 454.929 4.975 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCCS(C)(=O)=O 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MPMIGKQQLZCVCY-UHFFFAOYSA-N 0 0 450.713 4.625 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCCn1cc(Br)cn1 ZINC001360454810 1065353386 /nfs/dbraw/zinc/35/33/86/1065353386.db2.gz SCPAAKWSOJYOJZ-OXJNMPFZSA-N 0 0 491.409 4.906 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCCn1cc(Br)cn1 ZINC001360454811 1065353450 /nfs/dbraw/zinc/35/34/50/1065353450.db2.gz SCPAAKWSOJYOJZ-OXQOHEQNSA-N 0 0 491.409 4.906 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1 ZINC001360455367 1065354766 /nfs/dbraw/zinc/35/47/66/1065354766.db2.gz IXZVQSFENQEILD-NRFANRHFSA-N 0 0 451.889 4.911 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccn2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360455876 1065355281 /nfs/dbraw/zinc/35/52/81/1065355281.db2.gz CFTSNZZHZNVSLP-HNNXBMFYSA-N 0 0 460.460 4.567 20 0 JJADRN Cc1cc(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)ccc1OC(C)C ZINC001360455548 1065355297 /nfs/dbraw/zinc/35/52/97/1065355297.db2.gz PRBPWWYLIJYOLZ-UHFFFAOYSA-N 0 0 454.386 4.737 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(C)(C)C ZINC001360456267 1065355722 /nfs/dbraw/zinc/35/57/22/1065355722.db2.gz KYKWNJMBUWNCOA-QGZVFWFLSA-N 0 0 458.632 4.855 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)CCS(=O)(=O)Cc1cccc(C)c1 ZINC001436550350 1065356051 /nfs/dbraw/zinc/35/60/51/1065356051.db2.gz QUIWWTUXUNGFOH-UHFFFAOYSA-N 0 0 456.427 4.813 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c1 ZINC001436550007 1065356226 /nfs/dbraw/zinc/35/62/26/1065356226.db2.gz QJBJMXWSNUKYPV-UHFFFAOYSA-N 0 0 451.367 4.619 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc(OCC)c1OCC ZINC001436550403 1065356318 /nfs/dbraw/zinc/35/63/18/1065356318.db2.gz RHQSHRQOGUYQKX-SFHVURJKSA-N 0 0 454.567 4.891 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)C1CC1 ZINC001360456865 1065356347 /nfs/dbraw/zinc/35/63/47/1065356347.db2.gz WOMHUFJZQLHLNU-LRTDBIEQSA-N 0 0 463.351 4.798 20 0 JJADRN Cc1cc(NC(=O)c2cccc(OCC(F)F)n2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001436549734 1065356363 /nfs/dbraw/zinc/35/63/63/1065356363.db2.gz NRZNIVNDNSOXTO-HNNXBMFYSA-N 0 0 457.452 4.916 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC001436551049 1065356676 /nfs/dbraw/zinc/35/66/76/1065356676.db2.gz PBLUIJIXUZEQEN-IBGZPJMESA-N 0 0 451.158 4.822 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC001436551315 1065356731 /nfs/dbraw/zinc/35/67/31/1065356731.db2.gz VPTRYDFFGROZDG-OAHLLOKOSA-N 0 0 456.450 4.967 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4nccc(C(F)F)n4)c23)cc1 ZINC001436552220 1065357439 /nfs/dbraw/zinc/35/74/39/1065357439.db2.gz KBHOQGDFWCGIHS-UHFFFAOYSA-N 0 0 457.531 4.803 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC001436552410 1065357480 /nfs/dbraw/zinc/35/74/80/1065357480.db2.gz MTZBMWYXXVSLLF-NSHDSACASA-N 0 0 453.898 4.893 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC(C)(C)C1 ZINC001360458066 1065357519 /nfs/dbraw/zinc/35/75/19/1065357519.db2.gz BTJRLWUFKGKYGP-PKOBYXMFSA-N 0 0 473.618 4.813 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360458401 1065357536 /nfs/dbraw/zinc/35/75/36/1065357536.db2.gz IZXHORQQYZPRBK-HKUYNNGSSA-N 0 0 467.570 4.968 20 0 JJADRN O=C(c1cc(Cl)ccc1I)N1CCCn2c(cc3ccccc32)C1 ZINC001436553530 1065357989 /nfs/dbraw/zinc/35/79/89/1065357989.db2.gz TUABQRRBOVVRBT-UHFFFAOYSA-N 0 0 450.707 4.945 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(CO)c1 ZINC001360458623 1065358278 /nfs/dbraw/zinc/35/82/78/1065358278.db2.gz LWXSSGCSBGXWNP-SIKLNZKXSA-N 0 0 495.624 4.724 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360458697 1065358370 /nfs/dbraw/zinc/35/83/70/1065358370.db2.gz NKYPPSGZWAJAMB-IBGZPJMESA-N 0 0 478.597 4.622 20 0 JJADRN O=C(CCc1nnc(C2CCCC2)o1)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001436554089 1065358740 /nfs/dbraw/zinc/35/87/40/1065358740.db2.gz OUVZIESGBFCJAY-UHFFFAOYSA-N 0 0 456.905 4.911 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360459047 1065360382 /nfs/dbraw/zinc/36/03/82/1065360382.db2.gz SIIZESWTAGZPIK-UONOGXRCSA-N 0 0 452.889 4.876 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N[C@H](Cc3ccccc3C(F)(F)F)C(C)(C)C)cnc12 ZINC001436556735 1065360557 /nfs/dbraw/zinc/36/05/57/1065360557.db2.gz MBNXABCPCSZHHS-HXUWFJFHSA-N 0 0 459.512 4.887 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCCSC2)ccc1OCc1ccc(Br)cc1 ZINC001436557419 1065361252 /nfs/dbraw/zinc/36/12/52/1065361252.db2.gz BCVZPEPRQIBEBP-MRXNPFEDSA-N 0 0 450.398 4.910 20 0 JJADRN C[C@@H]1CCn2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)nc2C1 ZINC001436557297 1065361356 /nfs/dbraw/zinc/36/13/56/1065361356.db2.gz WDJBNFIARMTNLL-QAPCUYQASA-N 0 0 454.571 4.845 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360459586 1065361641 /nfs/dbraw/zinc/36/16/41/1065361641.db2.gz XFRWSBJODCBTNH-RRQZXNHTSA-N 0 0 475.634 4.590 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360459585 1065361909 /nfs/dbraw/zinc/36/19/09/1065361909.db2.gz XFRWSBJODCBTNH-MPCDZSKCSA-N 0 0 475.634 4.590 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360460544 1065362529 /nfs/dbraw/zinc/36/25/29/1065362529.db2.gz BTTIUSYXHJVKJS-WCIQWLHISA-N 0 0 473.618 4.692 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@](C)(O)C1CC1 ZINC001360460573 1065362620 /nfs/dbraw/zinc/36/26/20/1065362620.db2.gz CLUPPNIDGZGSRM-IVZQSRNASA-N 0 0 475.387 4.571 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c(C)c1OC ZINC001436560404 1065362581 /nfs/dbraw/zinc/36/25/81/1065362581.db2.gz ROKMHYXNCBSALK-ZDUSSCGKSA-N 0 0 451.420 4.847 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC(C)(C)c2ccccc21)Cc1ccccc1 ZINC001436560555 1065362592 /nfs/dbraw/zinc/36/25/92/1065362592.db2.gz RVNKTQDRNOTLPK-UHFFFAOYSA-N 0 0 451.611 4.728 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)cc1OC ZINC001436561318 1065363184 /nfs/dbraw/zinc/36/31/84/1065363184.db2.gz WRIWQNXZMSMWQY-CYBMUJFWSA-N 0 0 452.345 4.673 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1ccccc1F ZINC001360460668 1065363238 /nfs/dbraw/zinc/36/32/38/1065363238.db2.gz FEUHGOMKJUMUEC-OAHLLOKOSA-N 0 0 484.988 4.822 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001360460630 1065363348 /nfs/dbraw/zinc/36/33/48/1065363348.db2.gz DMQJHMDXIPECDS-YJBOKZPZSA-N 0 0 499.015 4.736 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccsc1)N(C)C ZINC001360460805 1065363826 /nfs/dbraw/zinc/36/38/26/1065363826.db2.gz HRGGNDLPKXFPCY-SJLPKXTDSA-N 0 0 481.651 4.549 20 0 JJADRN CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC001436562106 1065363927 /nfs/dbraw/zinc/36/39/27/1065363927.db2.gz NTPZMGSSIAQCFC-ZWKOTPCHSA-N 0 0 454.011 4.805 20 0 JJADRN CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC001436562105 1065364026 /nfs/dbraw/zinc/36/40/26/1065364026.db2.gz NTPZMGSSIAQCFC-ROUUACIJSA-N 0 0 454.011 4.805 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)Cc1c(C)nc2ccccc2c1C ZINC001436562187 1065364041 /nfs/dbraw/zinc/36/40/41/1065364041.db2.gz AIPBVMQUUIVRRD-UHFFFAOYSA-N 0 0 457.324 4.591 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1ccc(Br)cc1C ZINC001436562206 1065364078 /nfs/dbraw/zinc/36/40/78/1065364078.db2.gz BCMPHVPBVCJYEF-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccnc(OC4CCC4)c3)c2)c1 ZINC001436563637 1065365377 /nfs/dbraw/zinc/36/53/77/1065365377.db2.gz KDENNAGQZDGRSC-UHFFFAOYSA-N 0 0 459.502 4.694 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1CCCCO1 ZINC001360461378 1065366621 /nfs/dbraw/zinc/36/66/21/1065366621.db2.gz UBCXZVIVWDNQMU-VNTMZGSJSA-N 0 0 473.618 4.798 20 0 JJADRN COc1ccc(SCCC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1 ZINC001436565447 1065366537 /nfs/dbraw/zinc/36/65/37/1065366537.db2.gz TVTOBRJFCPBOLP-UHFFFAOYSA-N 0 0 451.470 4.649 20 0 JJADRN COc1cnc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(Br)c1 ZINC001436564708 1065366578 /nfs/dbraw/zinc/36/65/78/1065366578.db2.gz XDIUCGULECJSMC-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1COCCO1 ZINC001360461439 1065367116 /nfs/dbraw/zinc/36/71/16/1065367116.db2.gz VBEKKOFGCVRBIQ-HOCLYGCPSA-N 0 0 495.418 4.911 20 0 JJADRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)C(Cc1ccccc1)Cc1ccccc1 ZINC001436566251 1065367309 /nfs/dbraw/zinc/36/73/09/1065367309.db2.gz YYGBHCDHKCRFDC-UHFFFAOYSA-N 0 0 456.007 4.722 20 0 JJADRN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001436566810 1065367641 /nfs/dbraw/zinc/36/76/41/1065367641.db2.gz SHBVGAPVXUGYJV-STQMWFEESA-N 0 0 451.876 4.593 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCC(F)(F)F ZINC001360461484 1065367893 /nfs/dbraw/zinc/36/78/93/1065367893.db2.gz VPQJDJJQQGRXRT-ZDUSSCGKSA-N 0 0 463.485 4.629 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1 ZINC001360461498 1065367909 /nfs/dbraw/zinc/36/79/09/1065367909.db2.gz WEGXLGSGEJEXCY-ZDUSSCGKSA-N 0 0 450.406 4.721 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1 ZINC001436566543 1065367931 /nfs/dbraw/zinc/36/79/31/1065367931.db2.gz IMTZHJWRPIRIGA-FPOVZHCZSA-N 0 0 451.567 4.665 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)O[C@@H]3CCc4cc(Br)cnc43)CC2=O)cc1 ZINC001436567241 1065368440 /nfs/dbraw/zinc/36/84/40/1065368440.db2.gz KTPJDWBEOYILSJ-FXAWDEMLSA-N 0 0 457.368 4.770 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1ccccc1F ZINC001360461544 1065368452 /nfs/dbraw/zinc/36/84/52/1065368452.db2.gz XCYNVPSPSDDGJY-SFGWALBWSA-N 0 0 483.588 4.556 20 0 JJADRN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1csc(N2CCCCC2)n1 ZINC001436567477 1065369054 /nfs/dbraw/zinc/36/90/54/1065369054.db2.gz WGUZBFIODKZXDS-HOTGVXAUSA-N 0 0 452.546 4.892 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOC(C)(C)C ZINC001360461674 1065369050 /nfs/dbraw/zinc/36/90/50/1065369050.db2.gz ZKOUBDTUXHIJPQ-OKZBNKHCSA-N 0 0 461.607 4.654 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nccs1 ZINC001360461667 1065369095 /nfs/dbraw/zinc/36/90/95/1065369095.db2.gz ZJDCNRXQXHLMNG-HNNXBMFYSA-N 0 0 487.054 4.820 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccc1F ZINC001360461733 1065369184 /nfs/dbraw/zinc/36/91/84/1065369184.db2.gz APCJARZMFPMTEU-DLBZAZTESA-N 0 0 476.643 4.556 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC001436568222 1065369689 /nfs/dbraw/zinc/36/96/89/1065369689.db2.gz QWASGBXWNKGIJW-QFIPXVFZSA-N 0 0 451.567 4.811 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001360462033 1065369715 /nfs/dbraw/zinc/36/97/15/1065369715.db2.gz DSHLHXPTVGFYPI-WMLDXEAASA-N 0 0 479.528 4.629 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360461817 1065369920 /nfs/dbraw/zinc/36/99/20/1065369920.db2.gz CALFPOOPUXVACP-APWZRJJASA-N 0 0 496.637 4.883 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360462529 1065370520 /nfs/dbraw/zinc/37/05/20/1065370520.db2.gz JQDSGFFZOWLMIP-CVEARBPZSA-N 0 0 485.601 4.591 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)c2ccc(F)c3ccccc32)cc1 ZINC001436569048 1065370551 /nfs/dbraw/zinc/37/05/51/1065370551.db2.gz WJFSDUAIZKZOEN-MWTRTKDXSA-N 0 0 452.551 4.770 20 0 JJADRN COc1cncnc1NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001436569535 1065371148 /nfs/dbraw/zinc/37/11/48/1065371148.db2.gz AEVLCZFVKQIKKV-JENIJYKNSA-N 0 0 457.596 4.834 20 0 JJADRN O=C(COc1ccc2ccccc2c1)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001436571101 1065371717 /nfs/dbraw/zinc/37/17/17/1065371717.db2.gz QHVQYHPCVWSQNV-UHFFFAOYSA-N 0 0 455.352 4.836 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360462942 1065371951 /nfs/dbraw/zinc/37/19/51/1065371951.db2.gz OIPXEVCBDWQBPM-IAGOWNOFSA-N 0 0 456.616 4.932 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 ZINC001436572709 1065372460 /nfs/dbraw/zinc/37/24/60/1065372460.db2.gz CTSIWQBUCCGRBH-HOIFWPIMSA-N 0 0 454.592 4.770 20 0 JJADRN Cc1ccc(-c2nc(C(=O)Nc3nccn3Cc3ccc(Br)cc3)cs2)n1C ZINC001436572657 1065372660 /nfs/dbraw/zinc/37/26/60/1065372660.db2.gz HRPDMKAEHDVMNM-UHFFFAOYSA-N 0 0 456.369 4.717 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2noc3c2COCC3)n1CCSC(F)(F)F ZINC001360463427 1065372626 /nfs/dbraw/zinc/37/26/26/1065372626.db2.gz SVUSLCVRGISIMO-LLVKDONJSA-N 0 0 459.519 4.518 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001360464398 1065373795 /nfs/dbraw/zinc/37/37/95/1065373795.db2.gz XZEKZGZRIZCPRC-GOSISDBHSA-N 0 0 452.885 4.656 20 0 JJADRN CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001360465150 1065374648 /nfs/dbraw/zinc/37/46/48/1065374648.db2.gz NHTWPKSTZVEQLQ-RTBURBONSA-N 0 0 452.389 4.826 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360465783 1065374744 /nfs/dbraw/zinc/37/47/44/1065374744.db2.gz AHFZHDMAJIYFCL-YLJYHZDGSA-N 0 0 487.073 4.616 20 0 JJADRN Cc1cc(C(F)(F)F)ncc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001436575606 1065375035 /nfs/dbraw/zinc/37/50/35/1065375035.db2.gz WUWPDZLQMOVQIS-KBXCAEBGSA-N 0 0 459.390 4.976 20 0 JJADRN Cc1nnc(CCNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)s1 ZINC001436575631 1065375182 /nfs/dbraw/zinc/37/51/82/1065375182.db2.gz VHXJSOJTAQVHOY-UHFFFAOYSA-N 0 0 450.351 4.770 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CCOc2ccccc2)n1CCn1cc(Cl)cn1 ZINC001360466057 1065375814 /nfs/dbraw/zinc/37/58/14/1065375814.db2.gz HFAFUTKYRVNNDO-QGZVFWFLSA-N 0 0 457.003 4.709 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1cc(Br)cn2ccnc12 ZINC001436576333 1065376488 /nfs/dbraw/zinc/37/64/88/1065376488.db2.gz XBKITDLNDYSDJC-UHFFFAOYSA-N 0 0 457.097 4.649 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCCCC1 ZINC001360466271 1065377348 /nfs/dbraw/zinc/37/73/48/1065377348.db2.gz KBCJERJRLZEZAB-SFHVURJKSA-N 0 0 471.602 4.658 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C(C)(C)C ZINC001360466428 1065378099 /nfs/dbraw/zinc/37/80/99/1065378099.db2.gz LWGRHJXVVNSVKF-SFHVURJKSA-N 0 0 464.639 4.702 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(N(C)C)cc1 ZINC001360466446 1065378240 /nfs/dbraw/zinc/37/82/40/1065378240.db2.gz MBRZRPDGTHNWRJ-SFHVURJKSA-N 0 0 494.690 4.837 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001436579416 1065378310 /nfs/dbraw/zinc/37/83/10/1065378310.db2.gz WFPRXMUJKNWEFE-ICSRJNTNSA-N 0 0 453.364 4.564 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOCC1(C)C ZINC001360466487 1065378658 /nfs/dbraw/zinc/37/86/58/1065378658.db2.gz MINNNCCYHVQSJX-QKNQBKEWSA-N 0 0 475.703 4.566 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOCC1(C)C ZINC001360466488 1065378743 /nfs/dbraw/zinc/37/87/43/1065378743.db2.gz MINNNCCYHVQSJX-SFHLNBCPSA-N 0 0 475.703 4.566 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001436580755 1065379449 /nfs/dbraw/zinc/37/94/49/1065379449.db2.gz QTBQKZLCKJZXHF-XAUMDUMWSA-N 0 0 453.986 4.552 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccccc1C(F)(F)F ZINC001360466876 1065380213 /nfs/dbraw/zinc/38/02/13/1065380213.db2.gz QAWSMGPVLCSGME-INIZCTEOSA-N 0 0 477.556 4.921 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360467121 1065380816 /nfs/dbraw/zinc/38/08/16/1065380816.db2.gz SKUZPAWELKUWLN-LJQANCHMSA-N 0 0 488.702 4.747 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360467120 1065380969 /nfs/dbraw/zinc/38/09/69/1065380969.db2.gz SKUZPAWELKUWLN-IBGZPJMESA-N 0 0 488.702 4.747 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(C)(C)O)CC1 ZINC001360467255 1065381085 /nfs/dbraw/zinc/38/10/85/1065381085.db2.gz UBBNOHRNUNVZFJ-INIZCTEOSA-N 0 0 478.037 4.843 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360467437 1065381809 /nfs/dbraw/zinc/38/18/09/1065381809.db2.gz OKUSLZOTQZVHNR-MRXNPFEDSA-N 0 0 475.613 4.587 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001436583252 1065381889 /nfs/dbraw/zinc/38/18/89/1065381889.db2.gz JTYWKXRSXQVYKR-DLBZAZTESA-N 0 0 452.477 4.913 20 0 JJADRN O=C(Nc1cccnc1C(F)(F)F)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001436583541 1065382435 /nfs/dbraw/zinc/38/24/35/1065382435.db2.gz FUGWEDDRYYESLS-UHFFFAOYSA-N 0 0 451.246 4.790 20 0 JJADRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001436583735 1065382452 /nfs/dbraw/zinc/38/24/52/1065382452.db2.gz XUMMPWTZAKKGIZ-MJXNMMHHSA-N 0 0 450.457 4.910 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001360467960 1065383002 /nfs/dbraw/zinc/38/30/02/1065383002.db2.gz VOERIZLRPPXVGK-FNZWTVRRSA-N 0 0 467.683 4.719 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(Cc2ccccc2F)n1CCCOC1CCOCC1 ZINC001360467745 1065383020 /nfs/dbraw/zinc/38/30/20/1065383020.db2.gz YXYVCLMCWWGICS-SFHVURJKSA-N 0 0 458.603 4.853 20 0 JJADRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC001436584398 1065383149 /nfs/dbraw/zinc/38/31/49/1065383149.db2.gz XJUIWSFIXJWKMC-UHFFFAOYSA-N 0 0 450.297 4.805 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCc1ccc(C2CC2)cc1F ZINC001436584825 1065383260 /nfs/dbraw/zinc/38/32/60/1065383260.db2.gz PTUQRRGLLUESGT-HXUWFJFHSA-N 0 0 456.562 4.710 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)C(C)C)cc1)NC(=O)OC(C)(C)C ZINC001436584741 1065383336 /nfs/dbraw/zinc/38/33/36/1065383336.db2.gz YOAOYNZCEQIHKV-QFIPXVFZSA-N 0 0 453.583 4.839 20 0 JJADRN CC(C)OCc1nc([C@@H](C)NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)no1 ZINC001436585229 1065383940 /nfs/dbraw/zinc/38/39/40/1065383940.db2.gz OPKOVKFZYARJIN-GFCCVEGCSA-N 0 0 450.511 4.551 20 0 JJADRN O=C(c1cn(-c2cccc(Cl)c2)nn1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360469303 1065384803 /nfs/dbraw/zinc/38/48/03/1065384803.db2.gz HBNGJJAKTJPQHK-UHFFFAOYSA-N 0 0 459.653 4.892 20 0 JJADRN CS(=O)(=O)c1ccc(COC(=O)C2(c3ccc(Br)cc3)CCCCC2)cc1 ZINC001436588653 1065385252 /nfs/dbraw/zinc/38/52/52/1065385252.db2.gz NBJDRSBYYKIYOQ-UHFFFAOYSA-N 0 0 451.382 4.798 20 0 JJADRN O=C(Nc1nc2cc(Cl)ccn2n1)c1ccccc1OCc1ccc(Br)cc1 ZINC001436588294 1065385477 /nfs/dbraw/zinc/38/54/77/1065385477.db2.gz MFAZJEUQNNVVPF-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN CS(=O)(=O)c1ccc(COC(=O)C2(c3ccccc3Br)CCCCC2)cc1 ZINC001436587598 1065385527 /nfs/dbraw/zinc/38/55/27/1065385527.db2.gz IPCNEKFNAAAHHR-UHFFFAOYSA-N 0 0 451.382 4.798 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c2c(CC(C)(C)C)noc2n1 ZINC001436589419 1065386161 /nfs/dbraw/zinc/38/61/61/1065386161.db2.gz DQGFEQLTOKDEKE-UHFFFAOYSA-N 0 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Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)nn1-c1ccc(F)cc1F ZINC001436596110 1065390009 /nfs/dbraw/zinc/39/00/09/1065390009.db2.gz NRZDQHPDEFGLKM-GOSISDBHSA-N 0 0 452.505 4.567 20 0 JJADRN COCC1(CNC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CCCCC1 ZINC001436595939 1065390121 /nfs/dbraw/zinc/39/01/21/1065390121.db2.gz APNDLKAGRZPZOB-UHFFFAOYSA-N 0 0 457.615 4.883 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(F)(F)F ZINC001436596259 1065390148 /nfs/dbraw/zinc/39/01/48/1065390148.db2.gz KSXSJZBUGULGMN-ZDUSSCGKSA-N 0 0 456.411 4.785 20 0 JJADRN Cc1nc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)ccc1-c1ccccc1 ZINC001436596178 1065390184 /nfs/dbraw/zinc/39/01/84/1065390184.db2.gz KOTQXQJNOVLYME-UHFFFAOYSA-N 0 0 456.315 4.717 20 0 JJADRN COc1cc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1C ZINC001436596551 1065390677 /nfs/dbraw/zinc/39/06/77/1065390677.db2.gz MATUAYZAQXATQW-KRWDZBQOSA-N 0 0 451.748 4.663 20 0 JJADRN O=C(NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001436597665 1065390843 /nfs/dbraw/zinc/39/08/43/1065390843.db2.gz ODCLDRLYARHXRQ-TZRRMPRUSA-N 0 0 454.998 4.895 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)C1 ZINC001436599459 1065392101 /nfs/dbraw/zinc/39/21/01/1065392101.db2.gz ZVLWPQBNTZJOIT-WXVAWEFUSA-N 0 0 459.546 4.812 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)C1 ZINC001436599443 1065392140 /nfs/dbraw/zinc/39/21/40/1065392140.db2.gz ZVLWPQBNTZJOIT-AJTFRIOCSA-N 0 0 459.546 4.812 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)Nc3cccc(F)c3Cn3cccc(C)c3=O)nc2)c1 ZINC001436598902 1065392231 /nfs/dbraw/zinc/39/22/31/1065392231.db2.gz RHBGOGRAELLXOG-UHFFFAOYSA-N 0 0 459.477 4.792 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC[C@H]3C(C)C)c2)cc1 ZINC001360473546 1065392741 /nfs/dbraw/zinc/39/27/41/1065392741.db2.gz XAQFGBJNPDGGTD-DEOSSOPVSA-N 0 0 458.624 4.870 20 0 JJADRN O=C(NCCCn1cc(Br)cn1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001436601038 1065393435 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O=C(CCc1nc(-c2cc(Br)cs2)no1)NC1(c2nccs2)CCCC1 ZINC001360480107 1065398248 /nfs/dbraw/zinc/39/82/48/1065398248.db2.gz NXBHPQDTQMQNDJ-UHFFFAOYSA-N 0 0 453.387 4.535 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cnc(Br)c(Br)c1 ZINC001360479929 1065398268 /nfs/dbraw/zinc/39/82/68/1065398268.db2.gz JBRDYRWBJQATTD-MRXNPFEDSA-N 0 0 454.162 4.504 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1 ZINC001436614823 1065398367 /nfs/dbraw/zinc/39/83/67/1065398367.db2.gz RUXPEUZSGIESKB-CQSZACIVSA-N 0 0 458.352 4.871 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 ZINC001436621045 1065400788 /nfs/dbraw/zinc/40/07/88/1065400788.db2.gz GRIISIZNVSQYRO-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN Cc1cc(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)ccc1Br ZINC001436620169 1065400973 /nfs/dbraw/zinc/40/09/73/1065400973.db2.gz UDPAJANZDDEYRZ-UHFFFAOYSA-N 0 0 458.377 4.661 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1occc1Br ZINC001436622897 1065402081 /nfs/dbraw/zinc/40/20/81/1065402081.db2.gz 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IMQSXEWTCVFNFP-FCHUYYIVSA-N 0 0 450.579 4.658 20 0 JJADRN CCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360488384 1065407251 /nfs/dbraw/zinc/40/72/51/1065407251.db2.gz FBCGHXNDNOTVAV-DHIUTWEWSA-N 0 0 458.624 4.568 20 0 JJADRN CCCN(C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360488338 1065407296 /nfs/dbraw/zinc/40/72/96/1065407296.db2.gz DDSLBJJVQPCUFH-RTBURBONSA-N 0 0 452.521 4.709 20 0 JJADRN CC(C)O[C@H]1C[C@@H](NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 ZINC001436630249 1065407320 /nfs/dbraw/zinc/40/73/20/1065407320.db2.gz YIQMKKOGJWZKIO-BJHJDKERSA-N 0 0 451.823 4.865 20 0 JJADRN O=C(NC1(C(=O)OCc2ccccc2)CCC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001436631017 1065408242 /nfs/dbraw/zinc/40/82/42/1065408242.db2.gz HAXXHRCAKJGMQC-UHFFFAOYSA-N 0 0 456.258 4.864 20 0 JJADRN C[C@@]1(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1(Br)Br ZINC001360491706 1065408695 /nfs/dbraw/zinc/40/86/95/1065408695.db2.gz LGIQDSMDLBZTPW-INIZCTEOSA-N 0 0 458.125 4.525 20 0 JJADRN CCOc1cc(CCCNC(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)ccc1OC ZINC001360489405 1065408717 /nfs/dbraw/zinc/40/87/17/1065408717.db2.gz UBZPWGWIUXISCW-UHFFFAOYSA-N 0 0 451.542 4.578 20 0 JJADRN C[C@]1(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1(Br)Br ZINC001360491707 1065408725 /nfs/dbraw/zinc/40/87/25/1065408725.db2.gz LGIQDSMDLBZTPW-MRXNPFEDSA-N 0 0 458.125 4.525 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001360489886 1065408740 /nfs/dbraw/zinc/40/87/40/1065408740.db2.gz YTPRHMRTGQVZJR-UHFFFAOYSA-N 0 0 453.542 4.956 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001436632942 1065408767 /nfs/dbraw/zinc/40/87/67/1065408767.db2.gz AVHKSYLKXGYPNT-HXUWFJFHSA-N 0 0 455.396 4.518 20 0 JJADRN C[C@@H](OC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ncccc1Br ZINC001436633392 1065408875 /nfs/dbraw/zinc/40/88/75/1065408875.db2.gz CJQCTNSMPYQFDA-CQSZACIVSA-N 0 0 455.287 4.878 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C)cc(Br)c43)cc2C1=O ZINC001436633283 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CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c1 ZINC001436653986 1065418925 /nfs/dbraw/zinc/41/89/25/1065418925.db2.gz XROBISRWLFBWSZ-UHFFFAOYSA-N 0 0 453.347 4.638 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360499061 1065418969 /nfs/dbraw/zinc/41/89/69/1065418969.db2.gz ZIHYMKFXTFFGTE-CZUORRHYSA-N 0 0 471.936 4.701 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cc(Cl)cc(Br)c2)c1 ZINC001436653635 1065418965 /nfs/dbraw/zinc/41/89/65/1065418965.db2.gz VJCCZMRSJZUSHE-UHFFFAOYSA-N 0 0 452.153 4.907 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001436655607 1065419804 /nfs/dbraw/zinc/41/98/04/1065419804.db2.gz KOBXUGYKTJRTAO-IFMALSPDSA-N 0 0 454.617 4.551 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001436657193 1065419967 /nfs/dbraw/zinc/41/99/67/1065419967.db2.gz BXDQNRZGSORCBG-MRXNPFEDSA-N 0 0 457.474 4.907 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360499157 1065419895 /nfs/dbraw/zinc/41/98/95/1065419895.db2.gz BECWDJHDRDWGDO-BEFAXECRSA-N 0 0 488.455 4.568 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360500053 1065421447 /nfs/dbraw/zinc/42/14/47/1065421447.db2.gz KBPWSQWVIZNPQT-GGPKGHCWSA-N 0 0 475.659 4.563 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001360500014 1065421491 /nfs/dbraw/zinc/42/14/91/1065421491.db2.gz JSLLDBZISLBLBM-KXBFYZLASA-N 0 0 477.556 4.825 20 0 JJADRN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001436675141 1065421618 /nfs/dbraw/zinc/42/16/18/1065421618.db2.gz BGMRNOJYAHWGQN-JSGCOSHPSA-N 0 0 459.310 4.993 20 0 JJADRN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001436675135 1065421638 /nfs/dbraw/zinc/42/16/38/1065421638.db2.gz BGMRNOJYAHWGQN-GXTWGEPZSA-N 0 0 459.310 4.993 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001360500504 1065422204 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Cc1ccc(CN(CC2CC2)C(=O)c2c(Cl)ccc(I)c2F)cn1 ZINC001437058932 1065505082 /nfs/dbraw/zinc/50/50/82/1065505082.db2.gz KGSFIHVRRBWXIW-UHFFFAOYSA-N 0 0 458.702 4.840 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@H](c3cccnc3)C2)c1)c1ccc(Br)cc1 ZINC001437064343 1065505119 /nfs/dbraw/zinc/50/51/19/1065505119.db2.gz JYYIYVMJXMOOLW-IBGZPJMESA-N 0 0 450.336 4.726 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC001437062227 1065505176 /nfs/dbraw/zinc/50/51/76/1065505176.db2.gz BFGNKHVFMYDEGA-IBGZPJMESA-N 0 0 452.601 4.656 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)CC(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC001437057205 1065505200 /nfs/dbraw/zinc/50/52/00/1065505200.db2.gz WPFJRSFZHOMMTB-UHFFFAOYSA-N 0 0 451.607 4.733 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NCC[C@H]3CSc4ccccc4O3)s2)cc1 ZINC001437057875 1065505258 /nfs/dbraw/zinc/50/52/58/1065505258.db2.gz YPYNCHFLAMFNHQ-KRWDZBQOSA-N 0 0 454.573 4.682 20 0 JJADRN C[C@@H](CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC001360526577 1065505510 /nfs/dbraw/zinc/50/55/10/1065505510.db2.gz OTERJCXUGUWPKL-ZWKOTPCHSA-N 0 0 476.691 4.963 20 0 JJADRN C[C@H](CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC001360526575 1065505575 /nfs/dbraw/zinc/50/55/75/1065505575.db2.gz OTERJCXUGUWPKL-QZTJIDSGSA-N 0 0 476.691 4.963 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cs1 ZINC001437073686 1065506264 /nfs/dbraw/zinc/50/62/64/1065506264.db2.gz QGJKMEYMJJQUFY-GJZGRUSLSA-N 0 0 455.584 4.500 20 0 JJADRN C[C@H](CN(C)c1nnc(Cc2ccccn2)n1CCCn1cc(Br)cn1)c1ccccc1 ZINC001360527025 1065506612 /nfs/dbraw/zinc/50/66/12/1065506612.db2.gz YIHZMGLDMYEZEJ-LJQANCHMSA-N 0 0 494.441 4.553 20 0 JJADRN CC[C@@H](CNC(=O)c1cnn(C(C)C)c1Br)Cc1cccc(Br)c1 ZINC001360528102 1065507138 /nfs/dbraw/zinc/50/71/38/1065507138.db2.gz CCOAGSCGEUPKPN-CYBMUJFWSA-N 0 0 457.210 4.988 20 0 JJADRN CC(C)[C@H]1C[C@@H](CC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)CCO1 ZINC001360527944 1065507237 /nfs/dbraw/zinc/50/72/37/1065507237.db2.gz TTYHRSHZBFGYBZ-BKMJKUGQSA-N 0 0 454.586 4.895 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001545904674 1065507485 /nfs/dbraw/zinc/50/74/85/1065507485.db2.gz ZYRWTAXBZPOXGM-DWLFOUALSA-N 0 0 457.619 4.501 20 0 JJADRN O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)c1cc(I)ccc1F ZINC001437077831 1065507543 /nfs/dbraw/zinc/50/75/43/1065507543.db2.gz JYTQZRHQAXDIPR-UHFFFAOYSA-N 0 0 450.129 4.843 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001437082246 1065508085 /nfs/dbraw/zinc/50/80/85/1065508085.db2.gz GICURFDPQVWYDU-MRXNPFEDSA-N 0 0 451.401 4.913 20 0 JJADRN O=C(NC[C@H]1CSc2ccccc2O1)c1cccnc1Oc1cccc(Br)c1 ZINC001437089976 1065508467 /nfs/dbraw/zinc/50/84/67/1065508467.db2.gz BURKRXXODDVPOE-INIZCTEOSA-N 0 0 457.349 4.920 20 0 JJADRN C[C@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1C)c1nccs1 ZINC001360529645 1065509361 /nfs/dbraw/zinc/50/93/61/1065509361.db2.gz JBSIVPUEZLAOAO-FGTMMUONSA-N 0 0 476.046 4.880 20 0 JJADRN CC[C@H](CNC(=O)C(=O)c1ccc(Br)s1)Cc1cccc(Br)c1 ZINC001360529588 1065509522 /nfs/dbraw/zinc/50/95/22/1065509522.db2.gz ZFAJULGVLBDMAZ-NSHDSACASA-N 0 0 459.203 4.841 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H]1CCOC1)c1ccccc1 ZINC001360529818 1065509938 /nfs/dbraw/zinc/50/99/38/1065509938.db2.gz MLNVMEINHORMBG-MZURWIMNSA-N 0 0 470.658 4.632 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1OCCC1(C)C)c1nccs1 ZINC001360530345 1065510526 /nfs/dbraw/zinc/51/05/26/1065510526.db2.gz XNTAOEBPLHMVHL-AKHDSKFASA-N 0 0 461.676 4.708 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](C)Sc3ccccc3)CC2)n1 ZINC001360530523 1065511692 /nfs/dbraw/zinc/51/16/92/1065511692.db2.gz AEZTUIGTFKJMKI-VQTJNVASSA-N 0 0 483.686 4.972 20 0 JJADRN CC(C)CCOc1ccccc1NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC001437137002 1065512019 /nfs/dbraw/zinc/51/20/19/1065512019.db2.gz DDQVBACWRISUDC-SFHVURJKSA-N 0 0 457.575 4.527 20 0 JJADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)c1nccs1 ZINC001360531215 1065512720 /nfs/dbraw/zinc/51/27/20/1065512720.db2.gz OLJLDJYOMKFERV-CABCVRRESA-N 0 0 483.548 4.661 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360531320 1065512845 /nfs/dbraw/zinc/51/28/45/1065512845.db2.gz PZNOVRGHFIBRHU-LJQANCHMSA-N 0 0 474.049 4.751 20 0 JJADRN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1)Sc1ccccc1 ZINC001360531511 1065513215 /nfs/dbraw/zinc/51/32/15/1065513215.db2.gz UGVMKWJVBOBQTG-MOPGFXCFSA-N 0 0 464.639 4.979 20 0 JJADRN Cc1nc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)nn1-c1ccccc1C(C)C ZINC001437142024 1065513289 /nfs/dbraw/zinc/51/32/89/1065513289.db2.gz JVJWATAFJGLKDR-LSTHTHJFSA-N 0 0 454.615 4.821 20 0 JJADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1)Sc1ccccc1 ZINC001360531548 1065513451 /nfs/dbraw/zinc/51/34/51/1065513451.db2.gz UGVMKWJVBOBQTG-RTBURBONSA-N 0 0 464.639 4.979 20 0 JJADRN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 ZINC001360531459 1065513465 /nfs/dbraw/zinc/51/34/65/1065513465.db2.gz SRUBOHFJZJHMON-IBGZPJMESA-N 0 0 462.598 4.513 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001437143003 1065513345 /nfs/dbraw/zinc/51/33/45/1065513345.db2.gz CWTWDLVLNZGSFO-UHFFFAOYSA-N 0 0 451.405 4.801 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 ZINC001360532104 1065513941 /nfs/dbraw/zinc/51/39/41/1065513941.db2.gz ZUSPQQXELXSENV-VQIMIIECSA-N 0 0 473.046 4.747 20 0 JJADRN CC(C)[C@H](CNC(=O)c1coc(-c2ccc(Br)cc2F)n1)C(=O)OC(C)(C)C ZINC001437146061 1065514246 /nfs/dbraw/zinc/51/42/46/1065514246.db2.gz HVYGAZQAMQBMET-AWEZNQCLSA-N 0 0 455.324 4.587 20 0 JJADRN O=C(C[C@H]1CCC2(CCOCC2)CO1)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001437146669 1065514290 /nfs/dbraw/zinc/51/42/90/1065514290.db2.gz OYLAZRVOKKWDLV-CYBMUJFWSA-N 0 0 453.764 4.955 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)cc2F)c1 ZINC001360533701 1065514620 /nfs/dbraw/zinc/51/46/20/1065514620.db2.gz HWRIAOCYTBJDBI-UHFFFAOYSA-N 0 0 456.271 4.749 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001437149420 1065514802 /nfs/dbraw/zinc/51/48/02/1065514802.db2.gz WJJOZFJSTFJITP-APAFKAMOSA-N 0 0 454.652 4.681 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c2cc(OC)ccc21 ZINC001437147991 1065514834 /nfs/dbraw/zinc/51/48/34/1065514834.db2.gz JYDZICQWBVQLEB-KRWDZBQOSA-N 0 0 457.493 4.554 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001437147714 1065514911 /nfs/dbraw/zinc/51/49/11/1065514911.db2.gz IDNYZZQNWKIIDE-UKRRQHHQSA-N 0 0 456.427 4.846 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001437147713 1065515015 /nfs/dbraw/zinc/51/50/15/1065515015.db2.gz IDNYZZQNWKIIDE-HIFRSBDPSA-N 0 0 456.427 4.846 20 0 JJADRN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)cc2)C1=O ZINC001437150466 1065515379 /nfs/dbraw/zinc/51/53/79/1065515379.db2.gz SLKSLLZBTHEPQH-QFIPXVFZSA-N 0 0 459.468 4.553 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(F)(F)F ZINC001437153036 1065515393 /nfs/dbraw/zinc/51/53/93/1065515393.db2.gz UNFRCNWUCQDHFF-INIZCTEOSA-N 0 0 450.885 4.847 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001437151558 1065515619 /nfs/dbraw/zinc/51/56/19/1065515619.db2.gz PVWGYCYNEANHGZ-FYQPLNBISA-N 0 0 452.636 4.532 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1)Oc1ccccc1 ZINC001360535098 1065516062 /nfs/dbraw/zinc/51/60/62/1065516062.db2.gz LDGLHNGAFVSIRJ-AWEZNQCLSA-N 0 0 473.400 4.596 20 0 JJADRN O=C(c1cnc(Br)s1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001437189433 1065518503 /nfs/dbraw/zinc/51/85/03/1065518503.db2.gz ARLAQRGSGZVCFG-UHFFFAOYSA-N 0 0 455.592 4.828 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1 ZINC001437191576 1065518574 /nfs/dbraw/zinc/51/85/74/1065518574.db2.gz NFAJXQVGSWRBKZ-ZWKOTPCHSA-N 0 0 459.329 4.986 20 0 JJADRN CC[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)[C@H]1CCCCO1 ZINC001437192792 1065518947 /nfs/dbraw/zinc/51/89/47/1065518947.db2.gz CMEHGLFXHRTAIA-LEWJYISDSA-N 0 0 454.571 4.629 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(F)(F)F)c1nccs1 ZINC001360536326 1065519176 /nfs/dbraw/zinc/51/91/76/1065519176.db2.gz XBKJKZLDICMPLA-LLVKDONJSA-N 0 0 460.323 4.966 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccc(F)cc1 ZINC001360536521 1065519618 /nfs/dbraw/zinc/51/96/18/1065519618.db2.gz YFCCVVBJUUZRKW-HZPDHXFCSA-N 0 0 492.393 4.505 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC001437213328 1065520030 /nfs/dbraw/zinc/52/00/30/1065520030.db2.gz GBMYREZFTGZZGL-CQSZACIVSA-N 0 0 454.748 4.723 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C1CCCCCC1 ZINC001437213201 1065520271 /nfs/dbraw/zinc/52/02/71/1065520271.db2.gz FLHSGONFJDPHEX-ZCYQVOJMSA-N 0 0 450.579 4.566 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C)Oc1cccc(F)c1 ZINC001360537197 1065520713 /nfs/dbraw/zinc/52/07/13/1065520713.db2.gz YXEOPGJGILYPSV-GJZGRUSLSA-N 0 0 492.393 4.646 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCOc1ccccc1C ZINC001545905560 1065520732 /nfs/dbraw/zinc/52/07/32/1065520732.db2.gz DHQZINZCXGETAJ-MHZLTWQESA-N 0 0 465.642 4.911 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1=O ZINC001360537825 1065521720 /nfs/dbraw/zinc/52/17/20/1065521720.db2.gz NEZPMRYKMCAKBW-XFSFLGPDSA-N 0 0 452.620 4.822 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC001360537654 1065521929 /nfs/dbraw/zinc/52/19/29/1065521929.db2.gz JDNDKOQUXYSFOF-WJOKGBTCSA-N 0 0 459.999 4.703 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccn(-c4ccc(C)cc4)n3)[nH]c(=O)c2c1C ZINC001437223121 1065521865 /nfs/dbraw/zinc/52/18/65/1065521865.db2.gz DHNDQXJGBVCZBR-HNNXBMFYSA-N 0 0 453.593 4.768 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)ccc1F ZINC001360538007 1065522285 /nfs/dbraw/zinc/52/22/85/1065522285.db2.gz BSGCXRJOUUBFGM-UHFFFAOYSA-N 0 0 454.514 4.631 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@](C)(O)C1CCCCC1 ZINC001545905605 1065522533 /nfs/dbraw/zinc/52/25/33/1065522533.db2.gz FSJPOKSKDGHONK-CUBQBAPOSA-N 0 0 481.685 4.739 20 0 JJADRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001360538325 1065522971 /nfs/dbraw/zinc/52/29/71/1065522971.db2.gz SGJYWQKDCXKZCQ-LAUBAEHRSA-N 0 0 454.596 4.577 20 0 JJADRN COC(=O)CN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21)c1ccccc1 ZINC001360539376 1065523881 /nfs/dbraw/zinc/52/38/81/1065523881.db2.gz FLSJLSUCVIAHAU-UHFFFAOYSA-N 0 0 456.498 4.739 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N[C@@H](C)Cc2c(C)noc2C)cs1 ZINC001360539711 1065524009 /nfs/dbraw/zinc/52/40/09/1065524009.db2.gz PDXSOEIHLPAZBO-JTQLQIEISA-N 0 0 450.358 4.547 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1 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SUESRUFVGZTWKX-HHHXNRCGSA-N 0 0 465.642 4.718 20 0 JJADRN C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360545337 1065536055 /nfs/dbraw/zinc/53/60/55/1065536055.db2.gz ZJMWQJNWBKHDQU-ZWKOTPCHSA-N 0 0 450.587 4.737 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1)N(C)C(=O)OC(C)(C)C ZINC001360545255 1065536148 /nfs/dbraw/zinc/53/61/48/1065536148.db2.gz YLWNWKQZWOMZLG-NFBKMPQASA-N 0 0 495.624 4.979 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)c1ccn(-c2ccc(Br)cc2)n1 ZINC001437316188 1065536398 /nfs/dbraw/zinc/53/63/98/1065536398.db2.gz QSLYIBYONLTPSS-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccc(F)cc1 ZINC001360545574 1065536418 /nfs/dbraw/zinc/53/64/18/1065536418.db2.gz GPKRWOHWDSRDJB-LPHOPBHVSA-N 0 0 463.479 4.831 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)c1ccc(I)c(F)c1 ZINC001437315263 1065536442 /nfs/dbraw/zinc/53/64/42/1065536442.db2.gz OTPCNDWPDBMPCL-UHFFFAOYSA-N 0 0 451.264 4.624 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)C[C@@H](C)O1 ZINC001437319582 1065536716 /nfs/dbraw/zinc/53/67/16/1065536716.db2.gz LHFJHPYBSABTOW-QZTJIDSGSA-N 0 0 457.412 4.868 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360545898 1065536889 /nfs/dbraw/zinc/53/68/89/1065536889.db2.gz MVHOSUWYDSJLMP-SJORKVTESA-N 0 0 494.949 4.534 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360545846 1065536906 /nfs/dbraw/zinc/53/69/06/1065536906.db2.gz LQXRIQJQXVQUEX-GUDVDZBRSA-N 0 0 499.685 4.673 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360545897 1065537028 /nfs/dbraw/zinc/53/70/28/1065537028.db2.gz MVHOSUWYDSJLMP-IRXDYDNUSA-N 0 0 494.949 4.534 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360545896 1065537050 /nfs/dbraw/zinc/53/70/50/1065537050.db2.gz MVHOSUWYDSJLMP-IAGOWNOFSA-N 0 0 494.949 4.534 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360546517 1065537534 /nfs/dbraw/zinc/53/75/34/1065537534.db2.gz SBOMGAHLQUQWTL-MSOLQXFVSA-N 0 0 450.587 4.620 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360546266 1065537664 /nfs/dbraw/zinc/53/76/64/1065537664.db2.gz PYNLICGXJZQOCE-QZTJIDSGSA-N 0 0 470.643 4.942 20 0 JJADRN CCSc1ccc(CC(=O)N[C@H](Cc2ccccc2)c2nccn2C)c(Br)c1 ZINC001437330233 1065537671 /nfs/dbraw/zinc/53/76/71/1065537671.db2.gz XNOZIEIMDWEZEZ-HXUWFJFHSA-N 0 0 458.425 4.937 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001360547046 1065538607 /nfs/dbraw/zinc/53/86/07/1065538607.db2.gz XWGHETHKNLMUHV-AABGKKOBSA-N 0 0 454.619 4.612 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360547136 1065538722 /nfs/dbraw/zinc/53/87/22/1065538722.db2.gz ZAUJHZYWLSTHIY-CTNGQTDRSA-N 0 0 494.615 4.804 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CC)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001545906325 1065538785 /nfs/dbraw/zinc/53/87/85/1065538785.db2.gz WMERELRTUXOUEU-ACIOBRDBSA-N 0 0 453.631 4.743 20 0 JJADRN Cc1cc(C)cc(Oc2cccc(Cl)c2NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC001437343984 1065539379 /nfs/dbraw/zinc/53/93/79/1065539379.db2.gz FRXKDSDRJDOCHS-INIZCTEOSA-N 0 0 455.942 4.941 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCCOc2ccc3c(c2)CCC3)c(F)c1 ZINC001437344786 1065539436 /nfs/dbraw/zinc/53/94/36/1065539436.db2.gz GEXSGBDQMKKAFQ-UHFFFAOYSA-N 0 0 456.558 4.815 20 0 JJADRN Cc1cc(C)cc(Oc2cccc(Cl)c2NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC001437343988 1065539453 /nfs/dbraw/zinc/53/94/53/1065539453.db2.gz FRXKDSDRJDOCHS-MRXNPFEDSA-N 0 0 455.942 4.941 20 0 JJADRN Cc1csc(-c2cccc(OC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2)n1 ZINC001360548539 1065539815 /nfs/dbraw/zinc/53/98/15/1065539815.db2.gz UPTRJVXUYGQACZ-UHFFFAOYSA-N 0 0 456.589 4.758 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@]2(C)Cc2cccc(Cl)c2)nnn1CCOc1ccc(F)cc1 ZINC001437347450 1065540000 /nfs/dbraw/zinc/54/00/00/1065540000.db2.gz QUGYNRKXGIGUMO-DEOSSOPVSA-N 0 0 456.949 4.695 20 0 JJADRN Cn1nccc1[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)OC(C)(C)C ZINC001437347945 1065540012 /nfs/dbraw/zinc/54/00/12/1065540012.db2.gz IJOUPHXHALWMJD-QFIPXVFZSA-N 0 0 457.615 4.593 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360548932 1065540233 /nfs/dbraw/zinc/54/02/33/1065540233.db2.gz IMLFYYBHTWBAKZ-TXTKFYIRSA-N 0 0 476.625 4.978 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](c2cccc(F)c2)C1)N(C)C(=O)OC(C)(C)C ZINC001360549207 1065540245 /nfs/dbraw/zinc/54/02/45/1065540245.db2.gz NRRLEGANAADRSN-IEBWSBKVSA-N 0 0 468.577 4.662 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c1 ZINC001437348948 1065540423 /nfs/dbraw/zinc/54/04/23/1065540423.db2.gz OQPAAXOYEIWQKT-OAHLLOKOSA-N 0 0 450.938 4.896 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1Cc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360549311 1065540901 /nfs/dbraw/zinc/54/09/01/1065540901.db2.gz PTKBLKLSYBSLKC-QUCCMNQESA-N 0 0 482.654 4.869 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001545906448 1065540788 /nfs/dbraw/zinc/54/07/88/1065540788.db2.gz YZJIIWOVBYUKMY-DUXKGJEZSA-N 0 0 459.635 4.786 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1csc([C@H](C)OC)n1 ZINC001545906431 1065540880 /nfs/dbraw/zinc/54/08/80/1065540880.db2.gz YSDWBVLGAYHDCG-BVZFJXPGSA-N 0 0 486.686 4.735 20 0 JJADRN CCCCOc1cc(OCCC)ccc1C(=O)Oc1cc(C(N)=O)ccc1Br ZINC001437361112 1065542093 /nfs/dbraw/zinc/54/20/93/1065542093.db2.gz GMHFZJKJEAYXIK-UHFFFAOYSA-N 0 0 450.329 4.735 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Sc1ccccc1 ZINC001360550764 1065542414 /nfs/dbraw/zinc/54/24/14/1065542414.db2.gz RBIYSTPYQYDQRN-IAGOWNOFSA-N 0 0 464.561 4.527 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC001360551104 1065542850 /nfs/dbraw/zinc/54/28/50/1065542850.db2.gz GWKVJJRQRIBKHV-UHFFFAOYSA-N 0 0 454.596 4.874 20 0 JJADRN CCCCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCc2ncsc2C1 ZINC001437366297 1065543028 /nfs/dbraw/zinc/54/30/28/1065543028.db2.gz KTBRDGDIGFLTGU-INIZCTEOSA-N 0 0 459.413 4.891 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1N1CCCS1(=O)=O ZINC001360551292 1065543002 /nfs/dbraw/zinc/54/30/02/1065543002.db2.gz KFYZSARRZRVOLB-LJQANCHMSA-N 0 0 450.560 4.927 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc2c1 ZINC001437370462 1065543519 /nfs/dbraw/zinc/54/35/19/1065543519.db2.gz ZQBOCMMYEVPUMU-VWLOTQADSA-N 0 0 454.954 4.926 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOC[C@H]2c2ccco2)c1)c1ccc(Br)cc1 ZINC001360551894 1065543585 /nfs/dbraw/zinc/54/35/85/1065543585.db2.gz CNTOYIPZMKJHQF-IBGZPJMESA-N 0 0 455.308 4.508 20 0 JJADRN C[C@H]1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001437374325 1065543926 /nfs/dbraw/zinc/54/39/26/1065543926.db2.gz GXVPOHDUOVOLTJ-DZGCQCFKSA-N 0 0 455.386 4.797 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360553859 1065544532 /nfs/dbraw/zinc/54/45/32/1065544532.db2.gz DPEPFVMDMBFMNS-RTBURBONSA-N 0 0 487.620 4.845 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360553857 1065544755 /nfs/dbraw/zinc/54/47/55/1065544755.db2.gz DPEPFVMDMBFMNS-OALUTQOASA-N 0 0 487.620 4.845 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC001437378187 1065544638 /nfs/dbraw/zinc/54/46/38/1065544638.db2.gz IIDHQFLSKJWMDT-LJQANCHMSA-N 0 0 454.785 4.563 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)N(C)C(=O)OC(C)(C)C ZINC001360554790 1065545876 /nfs/dbraw/zinc/54/58/76/1065545876.db2.gz NTXTVJLEYZZORT-AEFFLSMTSA-N 0 0 476.021 4.722 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001437390371 1065546673 /nfs/dbraw/zinc/54/66/73/1065546673.db2.gz XTAXNLHEQOVWHH-SFHVURJKSA-N 0 0 451.405 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(OCc3ccncc3)cc2)C12CCCC2 ZINC001437411697 1065548104 /nfs/dbraw/zinc/54/81/04/1065548104.db2.gz BZGLKGATOGOFND-QFIPXVFZSA-N 0 0 451.567 4.713 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360559131 1065548442 /nfs/dbraw/zinc/54/84/42/1065548442.db2.gz WVFYVUWFNNYZGN-ROUUACIJSA-N 0 0 473.593 4.598 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC001437413947 1065548519 /nfs/dbraw/zinc/54/85/19/1065548519.db2.gz BMJKCESLMWXTEF-XUZZJYLKSA-N 0 0 469.006 4.755 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360559242 1065549120 /nfs/dbraw/zinc/54/91/20/1065549120.db2.gz GVXLJMKWYPMWQW-XLIONFOSSA-N 0 0 473.593 4.646 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC001437418990 1065549130 /nfs/dbraw/zinc/54/91/30/1065549130.db2.gz HYSSGJIIMPCFRM-UHFFFAOYSA-N 0 0 455.287 4.662 20 0 JJADRN CSc1cc(C(=O)N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)ccc1Br ZINC001437420584 1065549585 /nfs/dbraw/zinc/54/95/85/1065549585.db2.gz NOCXXISFMZOTHM-WFASDCNBSA-N 0 0 450.402 4.772 20 0 JJADRN CCC(CC)(C(=O)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1)c1ccc(OC)c(OC)c1 ZINC001437421593 1065550176 /nfs/dbraw/zinc/55/01/76/1065550176.db2.gz PGESQYLMSHKWKC-XLIONFOSSA-N 0 0 455.599 4.749 20 0 JJADRN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)n1 ZINC001437421601 1065550187 /nfs/dbraw/zinc/55/01/87/1065550187.db2.gz PHDFQJGWDFNDEK-BLLLJJGKSA-N 0 0 452.780 4.633 20 0 JJADRN CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@@H](C)Sc2ccccc2)C1 ZINC001360560329 1065550276 /nfs/dbraw/zinc/55/02/76/1065550276.db2.gz VCXSSRPSBGWSMP-CTNGQTDRSA-N 0 0 455.672 4.858 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360560158 1065550347 /nfs/dbraw/zinc/55/03/47/1065550347.db2.gz RPPZLCJHKQBFTF-QGZVFWFLSA-N 0 0 463.548 4.634 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360559997 1065550472 /nfs/dbraw/zinc/55/04/72/1065550472.db2.gz PPKYODROBFKIKV-APWZRJJASA-N 0 0 462.019 4.949 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360559999 1065550487 /nfs/dbraw/zinc/55/04/87/1065550487.db2.gz PPKYODROBFKIKV-QFBILLFUSA-N 0 0 462.019 4.949 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360560405 1065550880 /nfs/dbraw/zinc/55/08/80/1065550880.db2.gz WKULAUNMWZIOJM-AUSIDOKSSA-N 0 0 497.640 4.774 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1nccs1 ZINC001360560346 1065550890 /nfs/dbraw/zinc/55/08/90/1065550890.db2.gz VGEJLFZKJZATCE-VBKZILBWSA-N 0 0 457.566 4.726 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(Oc3ccccc3F)nc1)C2 ZINC001437424952 1065551094 /nfs/dbraw/zinc/55/10/94/1065551094.db2.gz VWTDCECHXOXEHK-BVZFJXPGSA-N 0 0 455.530 4.780 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)cc2s1 ZINC001437426898 1065551108 /nfs/dbraw/zinc/55/11/08/1065551108.db2.gz ZMXKENYUATUPMT-WNSKOXEYSA-N 0 0 478.684 4.971 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1csc(Cc3ccccc3F)n1)C2 ZINC001437425187 1065551181 /nfs/dbraw/zinc/55/11/81/1065551181.db2.gz XJYXXIAQCWVUTB-XDHUDOTRSA-N 0 0 459.587 4.640 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2c(Cl)cccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360560639 1065551415 /nfs/dbraw/zinc/55/14/15/1065551415.db2.gz ZWNHNIXVMQHSHK-UTKZUKDTSA-N 0 0 490.048 4.991 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCOC1 ZINC001437436688 1065551897 /nfs/dbraw/zinc/55/18/97/1065551897.db2.gz ATXLOVFVYMPXQX-HXUWFJFHSA-N 0 0 457.470 4.544 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)Oc1ccc(F)cc1 ZINC001360562742 1065552589 /nfs/dbraw/zinc/55/25/89/1065552589.db2.gz FPAVJNYLXZCANS-OHQAAIJDSA-N 0 0 456.484 4.761 20 0 JJADRN CN1CCc2cc(NC(=O)c3ccc(COc4ccc(Br)cc4)o3)ccc2C1=O ZINC001437444669 1065552912 /nfs/dbraw/zinc/55/29/12/1065552912.db2.gz KZNIKIWHGBQRPI-UHFFFAOYSA-N 0 0 455.308 4.502 20 0 JJADRN O=C(Cc1cccs1)Nc1nc(CC(=O)N2CCCC[C@@H]2Cc2ccccc2F)cs1 ZINC001437444926 1065552933 /nfs/dbraw/zinc/55/29/33/1065552933.db2.gz VMZRDRKLJSEMEX-GOSISDBHSA-N 0 0 457.596 4.691 20 0 JJADRN CCCOc1c(Br)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC001437447683 1065553474 /nfs/dbraw/zinc/55/34/74/1065553474.db2.gz BIZVLWBBZANIIQ-UHFFFAOYSA-N 0 0 456.720 4.695 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC001360563759 1065553782 /nfs/dbraw/zinc/55/37/82/1065553782.db2.gz METSDVFTTBLWQH-KSZLIROESA-N 0 0 476.046 4.989 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360563783 1065553919 /nfs/dbraw/zinc/55/39/19/1065553919.db2.gz MJXNKWIRSQFLPI-JVSAHFFESA-N 0 0 483.657 4.810 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1)N(C)c1ccccc1 ZINC001360563955 1065554622 /nfs/dbraw/zinc/55/46/22/1065554622.db2.gz NDVBJABOZLYHLZ-MSOLQXFVSA-N 0 0 488.430 4.689 20 0 JJADRN COc1ccc(Br)cc1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001437457852 1065554839 /nfs/dbraw/zinc/55/48/39/1065554839.db2.gz AYLIZLNDQGQFGS-HNNXBMFYSA-N 0 0 457.187 4.938 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)[C@@H]2CCCC[C@H]12 ZINC001437459553 1065555507 /nfs/dbraw/zinc/55/55/07/1065555507.db2.gz SRDFNJIPFTXGAK-GUDVDZBRSA-N 0 0 454.430 4.902 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437462194 1065555534 /nfs/dbraw/zinc/55/55/34/1065555534.db2.gz MXGZGIOATNSTQM-NHCUHLMSSA-N 0 0 457.393 4.817 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC001437463774 1065555987 /nfs/dbraw/zinc/55/59/87/1065555987.db2.gz TWXGTCGNTOGTRA-MRXNPFEDSA-N 0 0 459.500 4.603 20 0 JJADRN C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC1)N(C)c1ccccc1 ZINC001360565185 1065556371 /nfs/dbraw/zinc/55/63/71/1065556371.db2.gz 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COc1ccc(-c2ccnc(NC(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)n2)cc1 ZINC001437554430 1065573671 /nfs/dbraw/zinc/57/36/71/1065573671.db2.gz CTMRYMCKGGCIEV-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)ccn1 ZINC001437554927 1065573711 /nfs/dbraw/zinc/57/37/11/1065573711.db2.gz YJZUSDIHKIREET-UHFFFAOYSA-N 0 0 456.905 4.756 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Sc1ccccc1 ZINC001360578571 1065573931 /nfs/dbraw/zinc/57/39/31/1065573931.db2.gz KISVFLBSVRKJGE-HNNXBMFYSA-N 0 0 464.561 4.800 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC001437555300 1065574213 /nfs/dbraw/zinc/57/42/13/1065574213.db2.gz GZZZYIGZVCYXCK-TWDDROGUSA-N 0 0 474.642 4.746 20 0 JJADRN CO[C@](C)(CNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)COCc1ccccc1 ZINC001437557298 1065574591 /nfs/dbraw/zinc/57/45/91/1065574591.db2.gz VNICLFBOBGETDT-OPAMFIHVSA-N 0 0 452.364 4.820 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360578802 1065574666 /nfs/dbraw/zinc/57/46/66/1065574666.db2.gz MZLJOHLDITZABI-SFHVURJKSA-N 0 0 499.631 4.724 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)c21 ZINC001437557057 1065575242 /nfs/dbraw/zinc/57/52/42/1065575242.db2.gz HIVQVGYRRMKQEW-IFMALSPDSA-N 0 0 481.568 4.768 20 0 JJADRN CCc1cccc(OCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)c1 ZINC001437557334 1065575273 /nfs/dbraw/zinc/57/52/73/1065575273.db2.gz LGFCDJVWJBSSOV-ZEQRLZLVSA-N 0 0 468.594 4.546 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2sc(CC)nc2C)cc1 ZINC001437557794 1065575434 /nfs/dbraw/zinc/57/54/34/1065575434.db2.gz MREUHNVCOZRUSH-PMACEKPBSA-N 0 0 473.639 4.936 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2cn(C)c3ccccc23)cc1 ZINC001437558220 1065575700 /nfs/dbraw/zinc/57/57/00/1065575700.db2.gz NHEMXMUVRGOYSB-UPVQGACJSA-N 0 0 477.605 4.639 20 0 JJADRN 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C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC001360579771 1065576754 /nfs/dbraw/zinc/57/67/54/1065576754.db2.gz UPIRGTYDYWMEEG-LJQANCHMSA-N 0 0 484.670 4.650 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)Oc1ccccc1 ZINC001360579747 1065576808 /nfs/dbraw/zinc/57/68/08/1065576808.db2.gz XAVLALWSZYRVDG-HXUWFJFHSA-N 0 0 483.657 4.781 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC001437561588 1065577293 /nfs/dbraw/zinc/57/72/93/1065577293.db2.gz FTIQOZDHSSGUQY-YVEFUNNKSA-N 0 0 458.274 4.677 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360579920 1065577448 /nfs/dbraw/zinc/57/74/48/1065577448.db2.gz YWNVDYWYTPPYHZ-GGPKGHCWSA-N 0 0 487.620 4.577 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC001437561586 1065577554 /nfs/dbraw/zinc/57/75/54/1065577554.db2.gz FTIQOZDHSSGUQY-SJCJKPOMSA-N 0 0 458.274 4.677 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001437561438 1065577600 /nfs/dbraw/zinc/57/76/00/1065577600.db2.gz IEAXKJHQOXFZEH-VIFPVBQESA-N 0 0 454.189 4.823 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C1 ZINC001360580311 1065578012 /nfs/dbraw/zinc/57/80/12/1065578012.db2.gz CCDNLGRDYZDRNY-LJQANCHMSA-N 0 0 459.993 4.849 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc3cc(C)cc(Br)c3o2)c1 ZINC001360580664 1065578021 /nfs/dbraw/zinc/57/80/21/1065578021.db2.gz FLIJHFTXMBFDHT-HHHXNRCGSA-N 0 0 450.354 4.651 20 0 JJADRN C[C@H](COc1c(F)cccc1F)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001437563404 1065578093 /nfs/dbraw/zinc/57/80/93/1065578093.db2.gz JKMRKHSLRQUGQV-OYYMLLPPSA-N 0 0 452.542 4.568 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC001437567071 1065578517 /nfs/dbraw/zinc/57/85/17/1065578517.db2.gz POJFHJXXGKQDKU-PIGZYNQJSA-N 0 0 459.167 4.965 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1=O 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CKPPQVYKXLSHCN-GHTZIAJQSA-N 0 0 499.706 4.702 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCOC1)c1nccs1 ZINC001360583504 1065581266 /nfs/dbraw/zinc/58/12/66/1065581266.db2.gz FJXLPQIUUKBTMO-HIFRSBDPSA-N 0 0 468.410 4.649 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCOC1)c1nccs1 ZINC001360583503 1065581322 /nfs/dbraw/zinc/58/13/22/1065581322.db2.gz FJXLPQIUUKBTMO-DZGCQCFKSA-N 0 0 468.410 4.649 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](C)C1)c1ccc(F)cc1 ZINC001360583612 1065581846 /nfs/dbraw/zinc/58/18/46/1065581846.db2.gz GZIGXJOFKFJSQA-RCCFBDPRSA-N 0 0 455.603 4.695 20 0 JJADRN C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC001437588090 1065582108 /nfs/dbraw/zinc/58/21/08/1065582108.db2.gz ZZSLUJPSXZFXOR-NRFANRHFSA-N 0 0 459.775 4.921 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001545907907 1065582218 /nfs/dbraw/zinc/58/22/18/1065582218.db2.gz UCIHDRYZUUFWQQ-IRLDBZIGSA-N 0 0 470.662 4.643 20 0 JJADRN 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ZINC001545908010 1065583014 /nfs/dbraw/zinc/58/30/14/1065583014.db2.gz WFVIVFFZSNQYJO-KNQAVFIVSA-N 0 0 455.672 4.930 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360584241 1065583708 /nfs/dbraw/zinc/58/37/08/1065583708.db2.gz UITFUXORIPKEHB-MSOLQXFVSA-N 0 0 485.629 4.749 20 0 JJADRN COc1cc(OC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)ccc1Br ZINC001437606049 1065584119 /nfs/dbraw/zinc/58/41/19/1065584119.db2.gz WDTBRXMZFMFOEU-UHFFFAOYSA-N 0 0 458.337 4.840 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001360584438 1065584471 /nfs/dbraw/zinc/58/44/71/1065584471.db2.gz BPMFLVVLYGQGDX-GOSISDBHSA-N 0 0 452.860 4.582 20 0 JJADRN COc1ccc(COCCC(=O)Nc2nc3c(s2)c(Br)ccc3OC)cc1 ZINC001437611454 1065584766 /nfs/dbraw/zinc/58/47/66/1065584766.db2.gz BLLISJKVJRVMQE-UHFFFAOYSA-N 0 0 451.342 4.621 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545908127 1065584864 /nfs/dbraw/zinc/58/48/64/1065584864.db2.gz 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C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F)Oc1cccc(F)c1 ZINC001360586386 1065586626 /nfs/dbraw/zinc/58/66/26/1065586626.db2.gz DKUQPDXIYRSAEL-NUJGCVRESA-N 0 0 497.562 4.747 20 0 JJADRN C[C@H](Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360586430 1065587187 /nfs/dbraw/zinc/58/71/87/1065587187.db2.gz DYUUYJNFYGPTOW-MSOLQXFVSA-N 0 0 475.609 4.533 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC(=O)N2C(C)(C)C)cn1 ZINC001437639939 1065587257 /nfs/dbraw/zinc/58/72/57/1065587257.db2.gz GMQOIFYYIHKIDA-XXBNENTESA-N 0 0 471.045 4.681 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1)c1nccs1 ZINC001360586677 1065587444 /nfs/dbraw/zinc/58/74/44/1065587444.db2.gz GISSRIZXUFNULB-NXHRZFHOSA-N 0 0 460.648 4.545 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CC[C@@]4(C3)CCCOC4)cs2)cc1 ZINC001437646820 1065587744 /nfs/dbraw/zinc/58/77/44/1065587744.db2.gz ZYCISTYLTPPNNM-XMMPIXPASA-N 0 0 457.596 4.724 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ncc(F)cc1Br ZINC001437647172 1065587769 /nfs/dbraw/zinc/58/77/69/1065587769.db2.gz VXKCIAVITIXRMH-UHFFFAOYSA-N 0 0 456.724 4.853 20 0 JJADRN C[C@H](Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360586978 1065587785 /nfs/dbraw/zinc/58/77/85/1065587785.db2.gz KRVCKNVKJQLGSI-MSOLQXFVSA-N 0 0 475.609 4.676 20 0 JJADRN C[C@H](Cn1c(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)N1CCc2ccccc21 ZINC001360586990 1065587897 /nfs/dbraw/zinc/58/78/97/1065587897.db2.gz LAVOHCOPZAIYCF-RTWAWAEBSA-N 0 0 496.700 4.768 20 0 JJADRN CCCc1nccnc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001437649479 1065587885 /nfs/dbraw/zinc/58/78/85/1065587885.db2.gz KCJRJBVMHQJGPW-UHFFFAOYSA-N 0 0 453.340 4.625 20 0 JJADRN C[C@H](Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360587237 1065588387 /nfs/dbraw/zinc/58/83/87/1065588387.db2.gz NVFRXUDQCLUWNT-QGZVFWFLSA-N 0 0 467.643 4.626 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nccs2)CCS1 ZINC001360587305 1065588512 /nfs/dbraw/zinc/58/85/12/1065588512.db2.gz LZVHDHPVLQAPSQ-LPHOPBHVSA-N 0 0 461.632 4.834 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)c1ccc3ncsc3c1)CN(C(=O)OC(C)(C)C)C2 ZINC001437665749 1065589200 /nfs/dbraw/zinc/58/92/00/1065589200.db2.gz RKYKLCHXGDLGBS-UHFFFAOYSA-N 0 0 459.549 4.647 20 0 JJADRN C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1nccs1 ZINC001360587474 1065589130 /nfs/dbraw/zinc/58/91/30/1065589130.db2.gz NJCQSXRYOGWGFD-HZPDHXFCSA-N 0 0 491.086 4.576 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1)Oc1ccccc1 ZINC001360587429 1065589242 /nfs/dbraw/zinc/58/92/42/1065589242.db2.gz MZOFGQSHYMCPPM-ONUIULTDSA-N 0 0 469.630 4.609 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)c1cc(F)cc(Cl)c1)CN(C(=O)OC(C)(C)C)C2 ZINC001437668825 1065589787 /nfs/dbraw/zinc/58/97/87/1065589787.db2.gz SVXVTXPHGQVPQK-UHFFFAOYSA-N 0 0 454.907 4.830 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)/C(C)=C/C1CCC(C)CC1 ZINC001437669824 1065590308 /nfs/dbraw/zinc/59/03/08/1065590308.db2.gz VRDKXYGFHVDNRB-ODTVCOQCSA-N 0 0 452.389 4.903 20 0 JJADRN O=C(CCCn1ccc2cc(Cl)ccc21)Nc1nccc(F)c1I ZINC001437669960 1065590400 /nfs/dbraw/zinc/59/04/00/1065590400.db2.gz WHEIMUBOBOKFQJ-UHFFFAOYSA-N 0 0 457.674 4.852 20 0 JJADRN C[C@@H](Cn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360587906 1065590487 /nfs/dbraw/zinc/59/04/87/1065590487.db2.gz UTMSBBWUAUWUKS-VQTJNVASSA-N 0 0 458.672 4.778 20 0 JJADRN C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C)Oc1ccccc1 ZINC001360587972 1065590573 /nfs/dbraw/zinc/59/05/73/1065590573.db2.gz VUNLDLIFTJVCSM-LWYYNNOASA-N 0 0 455.603 4.505 20 0 JJADRN O=C([C@@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CCCc2cc[nH]c(=O)c21 ZINC001437679576 1065590978 /nfs/dbraw/zinc/59/09/78/1065590978.db2.gz PRMGBLBSSWDINM-FQEVSTJZSA-N 0 0 457.299 4.788 20 0 JJADRN C[C@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360588021 1065591025 /nfs/dbraw/zinc/59/10/25/1065591025.db2.gz WLGTZXSMRBVNEG-UYAOXDASSA-N 0 0 493.656 4.560 20 0 JJADRN CC(C)c1nnc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccc(Cl)cc3)CCO2)o1 ZINC001360588045 1065591082 /nfs/dbraw/zinc/59/10/82/1065591082.db2.gz WVCQAQVQVYRHIR-LPHOPBHVSA-N 0 0 489.020 4.781 20 0 JJADRN C[C@H](Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360588197 1065591605 /nfs/dbraw/zinc/59/16/05/1065591605.db2.gz XOEKTTQBEOJOFO-YPBQGGFRSA-N 0 0 490.048 4.800 20 0 JJADRN C[C@H](Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360588187 1065591616 /nfs/dbraw/zinc/59/16/16/1065591616.db2.gz XJOQEASLISHGLW-ZWKOTPCHSA-N 0 0 475.609 4.628 20 0 JJADRN C[C@@H](Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360588291 1065591693 /nfs/dbraw/zinc/59/16/93/1065591693.db2.gz ZKGLDMAFLDYEIW-KRWDZBQOSA-N 0 0 487.073 4.842 20 0 JJADRN C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1)Sc1ccccc1 ZINC001360588435 1065592270 /nfs/dbraw/zinc/59/22/70/1065592270.db2.gz WDRCSXJMYIJWSN-SLFFLAALSA-N 0 0 469.655 4.996 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C(C)(C)[C@@H]3C)CC2)cc1 ZINC001437693220 1065592733 /nfs/dbraw/zinc/59/27/33/1065592733.db2.gz GGZILQSQLDRCSX-IBGZPJMESA-N 0 0 454.636 4.924 20 0 JJADRN Cc1c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588947 1065593259 /nfs/dbraw/zinc/59/32/59/1065593259.db2.gz LVYBTVRDTBWPAV-OAHLLOKOSA-N 0 0 453.608 4.930 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)cc1OCCC(C)C ZINC001360589317 1065593908 /nfs/dbraw/zinc/59/39/08/1065593908.db2.gz ZBYKJLJKBFPMLL-UHFFFAOYSA-N 0 0 450.988 4.866 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001437703950 1065594058 /nfs/dbraw/zinc/59/40/58/1065594058.db2.gz URRUSQPJXAABBS-YJBOKZPZSA-N 0 0 456.505 4.812 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360590006 1065594372 /nfs/dbraw/zinc/59/43/72/1065594372.db2.gz BLRDKEWMOCXYGV-YDZRNGNQSA-N 0 0 490.674 4.519 20 0 JJADRN C[C@H](Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)s1)c1nccs1 ZINC001360590305 1065595020 /nfs/dbraw/zinc/59/50/20/1065595020.db2.gz HCZHULAKHRWTNK-SNVBAGLBSA-N 0 0 450.391 4.506 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(Cl)ccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360590183 1065595098 /nfs/dbraw/zinc/59/50/98/1065595098.db2.gz FGXIYZHTCQUQCV-OXQOHEQNSA-N 0 0 476.021 4.601 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)nc1 ZINC001437713572 1065595213 /nfs/dbraw/zinc/59/52/13/1065595213.db2.gz GBUBTOVENSYODV-SHQCIBLASA-N 0 0 455.602 4.964 20 0 JJADRN CCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC001437712439 1065595219 /nfs/dbraw/zinc/59/52/19/1065595219.db2.gz BQVADLHYHMEZRG-UHFFFAOYSA-N 0 0 454.324 4.676 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@H]1C)Oc1ccccc1F ZINC001360590410 1065595506 /nfs/dbraw/zinc/59/55/06/1065595506.db2.gz IUQHWETTXBZJEZ-NEYJZJCJSA-N 0 0 462.635 4.745 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC1CCOCC1)N(C)c1ccccc1 ZINC001360590509 1065595730 /nfs/dbraw/zinc/59/57/30/1065595730.db2.gz KJSXVUJDKLLNEK-NQHRYMMQSA-N 0 0 483.701 4.975 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C12CCC2 ZINC001437724070 1065596323 /nfs/dbraw/zinc/59/63/23/1065596323.db2.gz KOGDQGVPFGAOFQ-JKSUJKDBSA-N 0 0 459.222 4.997 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360590899 1065596840 /nfs/dbraw/zinc/59/68/40/1065596840.db2.gz SJHBXXFBBFFBNN-KCZVDYSFSA-N 0 0 469.630 4.627 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C)Oc1cccc(F)c1 ZINC001360590865 1065596936 /nfs/dbraw/zinc/59/69/36/1065596936.db2.gz RPHNTFQWCUYGKW-WFXMLNOXSA-N 0 0 473.593 4.945 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C)c1ccc(F)cc1 ZINC001360590948 1065597383 /nfs/dbraw/zinc/59/73/83/1065597383.db2.gz TWKARQZTGNUIIN-LQWHRVPQSA-N 0 0 473.593 4.518 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cscn1)Oc1ccc(F)cc1 ZINC001360590926 1065597494 /nfs/dbraw/zinc/59/74/94/1065597494.db2.gz STMOCAAZHQUKIM-MAODMQOUSA-N 0 0 473.618 4.896 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCc1cc2cc(C)ccc2o1 ZINC001437738403 1065597684 /nfs/dbraw/zinc/59/76/84/1065597684.db2.gz CITOOQDGFDLRHC-LJQANCHMSA-N 0 0 452.555 4.748 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(C(=O)c1cnn(-c3cccc(Cl)c3)c1C(C)C)CC2 ZINC001437738241 1065597768 /nfs/dbraw/zinc/59/77/68/1065597768.db2.gz PXZXQFVJTLNNDC-UHFFFAOYSA-N 0 0 455.917 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCOC[C@@H]3c3cc(F)cc(F)c3)ccc21 ZINC001437739128 1065597811 /nfs/dbraw/zinc/59/78/11/1065597811.db2.gz ZSPYFOVXFWMDKN-JOCHJYFZSA-N 0 0 458.505 4.866 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCNC(=O)C1CCC1)c1ccccc1 ZINC001360591096 1065597826 /nfs/dbraw/zinc/59/78/26/1065597826.db2.gz WTFHGZQWJQMCLT-AGILITTLSA-N 0 0 481.685 4.743 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1)c1ccccc1 ZINC001360591109 1065597895 /nfs/dbraw/zinc/59/78/95/1065597895.db2.gz WZMHMEKWKULOQV-RXVVDRJESA-N 0 0 466.586 4.778 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3c3cccc(F)c3)cc2)c(C)c1Br ZINC001437745342 1065598897 /nfs/dbraw/zinc/59/88/97/1065598897.db2.gz KJUWWAMPJOSBSC-FQEVSTJZSA-N 0 0 458.331 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1 ZINC001437748333 1065599878 /nfs/dbraw/zinc/59/98/78/1065599878.db2.gz GCVBNPODNCGPRI-SUMWQHHRSA-N 0 0 455.502 4.546 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCCCc3cc(Cl)ccc32)=NN1c1ccccc1 ZINC001437747488 1065599915 /nfs/dbraw/zinc/59/99/15/1065599915.db2.gz DXVGWIWPXCCVKR-QFIPXVFZSA-N 0 0 453.970 4.986 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCc2sc(Br)cc2C1 ZINC001437747340 1065599937 /nfs/dbraw/zinc/59/99/37/1065599937.db2.gz CMYRSIWDFHOLOI-UHFFFAOYSA-N 0 0 451.367 4.924 20 0 JJADRN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCOC[C@H]1c1cccc(F)c1 ZINC001437748923 1065600010 /nfs/dbraw/zinc/60/00/10/1065600010.db2.gz UHCJTTFEFWMDKF-INIZCTEOSA-N 0 0 450.201 4.960 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 ZINC001437754554 1065601407 /nfs/dbraw/zinc/60/14/07/1065601407.db2.gz QCYWCFBWXLFNCI-IPMKNSEASA-N 0 0 459.974 4.680 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)nc2)c1 ZINC001437755132 1065601532 /nfs/dbraw/zinc/60/15/32/1065601532.db2.gz YXTOCBKCSKWRCX-CJFMBICVSA-N 0 0 452.555 4.810 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)nc2)c1 ZINC001437755150 1065601997 /nfs/dbraw/zinc/60/19/97/1065601997.db2.gz YXTOCBKCSKWRCX-NLFFAJNJSA-N 0 0 452.555 4.810 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)Nc1ccc(Br)cc1 ZINC001437766255 1065602269 /nfs/dbraw/zinc/60/22/69/1065602269.db2.gz DNZKCJAJLLUXKH-TWOQFEAHSA-N 0 0 457.368 4.633 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(NC(=O)OC(C)(C)C)c3C)CC2=O)cc1 ZINC001437767663 1065603085 /nfs/dbraw/zinc/60/30/85/1065603085.db2.gz LGIBBBKPMIYZQL-QGZVFWFLSA-N 0 0 453.539 4.732 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1cnn(-c3ccc(F)cc3)c1)CCC2 ZINC001437766323 1065603093 /nfs/dbraw/zinc/60/30/93/1065603093.db2.gz CJOYRBLMHOZDNW-UHFFFAOYSA-N 0 0 450.514 4.629 20 0 JJADRN O=C(Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001437773805 1065603787 /nfs/dbraw/zinc/60/37/87/1065603787.db2.gz FQTCXSNKDCWSPT-YGRLFVJLSA-N 0 0 467.257 4.607 20 0 JJADRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)OC2=O ZINC001437775737 1065604638 /nfs/dbraw/zinc/60/46/38/1065604638.db2.gz PKFHHKRFKQLZKY-JKSUJKDBSA-N 0 0 454.214 4.547 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3cccc(C4CCCCC4)c3)cc2)C[C@H](C)O1 ZINC001437778795 1065604669 /nfs/dbraw/zinc/60/46/69/1065604669.db2.gz VBHAXQITLUMBEG-KDURUIRLSA-N 0 0 457.592 4.751 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(Br)c4ncccc34)CCC2=O)c1 ZINC001437782384 1065605351 /nfs/dbraw/zinc/60/53/51/1065605351.db2.gz PWZBXYVQWCBEOY-UHFFFAOYSA-N 0 0 451.324 4.736 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437788768 1065606035 /nfs/dbraw/zinc/60/60/35/1065606035.db2.gz AANVAZQWKZPCDK-VSZNYVQBSA-N 0 0 450.542 4.666 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc2c1CCN(C)C2=O ZINC001437788812 1065606103 /nfs/dbraw/zinc/60/61/03/1065606103.db2.gz BMAZCFNMKCCLCX-UHFFFAOYSA-N 0 0 453.951 4.843 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)c2c1 ZINC001437790925 1065606779 /nfs/dbraw/zinc/60/67/79/1065606779.db2.gz JHXQTBMVGFHYKK-OXQOHEQNSA-N 0 0 459.562 4.934 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)nc1 ZINC001360595728 1065607688 /nfs/dbraw/zinc/60/76/88/1065607688.db2.gz DKHFXVRUUBWQDV-UHFFFAOYSA-N 0 0 453.564 4.820 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1sc(-c2ccccc2F)nc1C ZINC001360595935 1065608294 /nfs/dbraw/zinc/60/82/94/1065608294.db2.gz KVTUDGUESVRAJJ-IBGZPJMESA-N 0 0 453.539 4.818 20 0 JJADRN COc1ccc(CCC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001437797065 1065610127 /nfs/dbraw/zinc/61/01/27/1065610127.db2.gz HNLWDMMSGUBPID-WBVHZDCISA-N 0 0 469.420 4.542 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cn1 ZINC001437800941 1065611817 /nfs/dbraw/zinc/61/18/17/1065611817.db2.gz XJDFUVFEARKJNT-UZLBHIALSA-N 0 0 455.356 4.511 20 0 JJADRN O=C(CCOc1cccc(I)c1)NCC1(c2cccc(Cl)c2)CC1 ZINC001360597225 1065612827 /nfs/dbraw/zinc/61/28/27/1065612827.db2.gz FRXRUVPUKIMJQW-UHFFFAOYSA-N 0 0 455.723 4.562 20 0 JJADRN CCCc1c(C(=O)NCc2sc(C)cc2Br)nnn1-c1cccc(Cl)c1 ZINC001437814241 1065613270 /nfs/dbraw/zinc/61/32/70/1065613270.db2.gz GMWSXFOKPXXXPX-UHFFFAOYSA-N 0 0 453.793 4.936 20 0 JJADRN COCc1c(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cnn1-c1ccccc1 ZINC001437813563 1065613370 /nfs/dbraw/zinc/61/33/70/1065613370.db2.gz UFMJVOORNQGEPG-GFCCVEGCSA-N 0 0 450.283 4.550 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001360597481 1065613882 /nfs/dbraw/zinc/61/38/82/1065613882.db2.gz LMKUUGDGNKETIJ-FPOVZHCZSA-N 0 0 454.640 4.874 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2nc(C(C)C)ncc2OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001437814426 1065614285 /nfs/dbraw/zinc/61/42/85/1065614285.db2.gz JKPJTLMXUVYPDJ-VQTJNVASSA-N 0 0 468.598 4.697 20 0 JJADRN CC(=O)Nc1ccccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001437815471 1065614296 /nfs/dbraw/zinc/61/42/96/1065614296.db2.gz IRVJPPXCOJQIJT-UHFFFAOYSA-N 0 0 453.340 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 ZINC001437819326 1065614893 /nfs/dbraw/zinc/61/48/93/1065614893.db2.gz PGQUTYBHVQMTCT-GOSISDBHSA-N 0 0 456.612 4.568 20 0 JJADRN Cc1cc(Br)c(CNC(=O)c2nn(-c3ccccc3)cc2Br)s1 ZINC001437820410 1065615879 /nfs/dbraw/zinc/61/58/79/1065615879.db2.gz ZZUKMTPGRPZRRN-UHFFFAOYSA-N 0 0 455.175 4.697 20 0 JJADRN Cc1cc(Br)c(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)s1 ZINC001437822622 1065615980 /nfs/dbraw/zinc/61/59/80/1065615980.db2.gz ZPGSFWGDTMRHAS-UHFFFAOYSA-N 0 0 455.333 4.550 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001437835524 1065616688 /nfs/dbraw/zinc/61/66/88/1065616688.db2.gz FMTOKBYBVFQDIM-MHECFPHRSA-N 0 0 469.990 4.916 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccccc1 ZINC001437840272 1065617383 /nfs/dbraw/zinc/61/73/83/1065617383.db2.gz PMFUTYBKSYSMCF-WOJBJXKFSA-N 0 0 471.479 4.647 20 0 JJADRN CCOC(=O)c1ccc(Cl)c(OC)c1NC(=O)c1ccc(Oc2cccc(OC)c2)cn1 ZINC001437840761 1065617751 /nfs/dbraw/zinc/61/77/51/1065617751.db2.gz HOXFEBKAEBGBIC-UHFFFAOYSA-N 0 0 456.882 4.974 20 0 JJADRN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccccc1I ZINC001437841866 1065618448 /nfs/dbraw/zinc/61/84/48/1065618448.db2.gz QMDMRSNOQNEBOM-UHFFFAOYSA-N 0 0 457.246 4.997 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001437843033 1065619181 /nfs/dbraw/zinc/61/91/81/1065619181.db2.gz ZFYSRNMBCRGNIL-VRBBWPEWSA-N 0 0 460.958 4.892 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)cc(OC)c1OC ZINC001437848764 1065620041 /nfs/dbraw/zinc/62/00/41/1065620041.db2.gz KRKNNKAZHPHBIS-OAHLLOKOSA-N 0 0 452.370 4.832 20 0 JJADRN O=C(COc1cc(-c2ccccc2)sc1C(=O)Nc1ccnc(F)c1F)N1CCCCC1 ZINC001437851361 1065620087 /nfs/dbraw/zinc/62/00/87/1065620087.db2.gz GUMCHJPKXGQDCE-UHFFFAOYSA-N 0 0 457.502 4.732 20 0 JJADRN Cc1cc2nc(NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)cc(Cl)n2n1 ZINC001437857819 1065620819 /nfs/dbraw/zinc/62/08/19/1065620819.db2.gz GJYJMBDVGBKAEU-UHFFFAOYSA-N 0 0 451.605 4.864 20 0 JJADRN Cc1cccc(-c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)nc2)c1 ZINC001437860350 1065620839 /nfs/dbraw/zinc/62/08/39/1065620839.db2.gz WIUQIPNDVPDTBV-UHFFFAOYSA-N 0 0 455.967 4.747 20 0 JJADRN CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001360600219 1065622448 /nfs/dbraw/zinc/62/24/48/1065622448.db2.gz BVELUSNKKICIGJ-LRZVDXDASA-N 0 0 457.368 4.523 20 0 JJADRN CC[C@H](C)n1nccc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001360600413 1065622588 /nfs/dbraw/zinc/62/25/88/1065622588.db2.gz DJDGVQDEWRWJPT-HNNXBMFYSA-N 0 0 455.356 4.799 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001437870651 1065622650 /nfs/dbraw/zinc/62/26/50/1065622650.db2.gz CKKYPPKETNRORH-QFIPXVFZSA-N 0 0 452.551 4.959 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(OC)c1 ZINC001437871249 1065622682 /nfs/dbraw/zinc/62/26/82/1065622682.db2.gz IVDXEWXZLXOBBW-ZDUSSCGKSA-N 0 0 459.536 4.600 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC[C@H]1F ZINC001437872981 1065623257 /nfs/dbraw/zinc/62/32/57/1065623257.db2.gz QUVLMTUDOHCSEB-UYAOXDASSA-N 0 0 450.457 4.834 20 0 JJADRN COc1cccc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1C ZINC001437890420 1065624969 /nfs/dbraw/zinc/62/49/69/1065624969.db2.gz BPWSOZATLNFNFV-UHFFFAOYSA-N 0 0 454.368 4.761 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1nn(-c2ccccc2F)cc1Br ZINC001437886740 1065625123 /nfs/dbraw/zinc/62/51/23/1065625123.db2.gz RTMXXVUNTXRIGB-MRXNPFEDSA-N 0 0 452.230 4.813 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001437896952 1065626659 /nfs/dbraw/zinc/62/66/59/1065626659.db2.gz NYGCISMSIQXOQV-AVRDEDQJSA-N 0 0 451.510 4.590 20 0 JJADRN O=C(Nc1ccc(Nc2ccccc2)cn1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001437894818 1065626706 /nfs/dbraw/zinc/62/67/06/1065626706.db2.gz NKOFHJVCZXNJGG-QGZVFWFLSA-N 0 0 454.452 4.831 20 0 JJADRN COc1cc(C(=O)Nc2ccc3nccn3c2)ccc1OCc1ccc(Br)s1 ZINC001437897943 1065627533 /nfs/dbraw/zinc/62/75/33/1065627533.db2.gz HRBWXPIDJDHUGM-UHFFFAOYSA-N 0 0 458.337 4.998 20 0 JJADRN COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1C ZINC001437901047 1065628370 /nfs/dbraw/zinc/62/83/70/1065628370.db2.gz AJEOKGRNMKQTCM-VDKIKQQVSA-N 0 0 450.623 4.810 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC001437900805 1065628504 /nfs/dbraw/zinc/62/85/04/1065628504.db2.gz TULCXMDTGBNYRF-HSZRJFAPSA-N 0 0 450.476 4.919 20 0 JJADRN Cc1cc(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001437903420 1065629347 /nfs/dbraw/zinc/62/93/47/1065629347.db2.gz GANSYVBGKBUMKZ-JOCHJYFZSA-N 0 0 451.954 4.731 20 0 JJADRN CCc1c(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)cnn1-c1ccc(Cl)cc1 ZINC001437909261 1065630139 /nfs/dbraw/zinc/63/01/39/1065630139.db2.gz JQMHSYJTHYKVOO-QFIPXVFZSA-N 0 0 453.970 4.714 20 0 JJADRN COc1ccc(SCCC(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1OC ZINC001360605217 1065630567 /nfs/dbraw/zinc/63/05/67/1065630567.db2.gz NLOGEWASXGFPFY-UHFFFAOYSA-N 0 0 452.532 4.658 20 0 JJADRN COc1cc(C(=O)Nc2ccc(N(C)C)cn2)ccc1OCc1ccc(Br)cc1 ZINC001360605415 1065630782 /nfs/dbraw/zinc/63/07/82/1065630782.db2.gz VIPJZVDTMMUYAH-UHFFFAOYSA-N 0 0 456.340 4.750 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)CCCCC1 ZINC001360605243 1065630787 /nfs/dbraw/zinc/63/07/87/1065630787.db2.gz OFWQMKQNCSSYAS-UHFFFAOYSA-N 0 0 453.539 4.686 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F ZINC001360606316 1065631468 /nfs/dbraw/zinc/63/14/68/1065631468.db2.gz BRIARVJZORNBFA-HUUCEWRRSA-N 0 0 489.514 4.717 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F ZINC001360606315 1065631480 /nfs/dbraw/zinc/63/14/80/1065631480.db2.gz BRIARVJZORNBFA-GJZGRUSLSA-N 0 0 489.514 4.717 20 0 JJADRN O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001437929428 1065632040 /nfs/dbraw/zinc/63/20/40/1065632040.db2.gz KKYQXLVZWDNCAU-KRWDZBQOSA-N 0 0 451.727 4.894 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1)CN1CCOCC1 ZINC001360606848 1065632426 /nfs/dbraw/zinc/63/24/26/1065632426.db2.gz RPGGGZSNPFAAFY-AABGKKOBSA-N 0 0 478.106 4.674 20 0 JJADRN CCCc1c(C(=O)NC[C@H](OC)c2cccc(OC)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001437935023 1065632492 /nfs/dbraw/zinc/63/24/92/1065632492.db2.gz NOSBIRSEORNQRR-QHCPKHFHSA-N 0 0 450.583 4.643 20 0 JJADRN CCSC1(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC001437932095 1065632661 /nfs/dbraw/zinc/63/26/61/1065632661.db2.gz YBBHQPKMAVKXKG-UHFFFAOYSA-N 0 0 451.592 4.631 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360607133 1065633506 /nfs/dbraw/zinc/63/35/06/1065633506.db2.gz IGFKNPBPFSJTLA-QYZOEREBSA-N 0 0 490.048 4.622 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360607403 1065633617 /nfs/dbraw/zinc/63/36/17/1065633617.db2.gz JIXWVFCGJMLHSZ-RTBURBONSA-N 0 0 494.640 4.658 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001360607424 1065633790 /nfs/dbraw/zinc/63/37/90/1065633790.db2.gz JOGXGIXCNSABLZ-INIZCTEOSA-N 0 0 459.978 4.989 20 0 JJADRN O=C(C=Cc1ccccc1C(F)(F)F)Nc1nc2cc(I)ccc2[nH]1 ZINC001437950243 1065634298 /nfs/dbraw/zinc/63/42/98/1065634298.db2.gz CUYJPEQBGAENNR-YVMONPNESA-N 0 0 457.193 4.838 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3Cl)C2)cc1 ZINC001360608104 1065634331 /nfs/dbraw/zinc/63/43/31/1065634331.db2.gz 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PKOUUHWDVNNQKT-ZAHGZRRWSA-N 0 0 454.998 4.968 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@H](F)C2)C1 ZINC001360639296 1065707106 /nfs/dbraw/zinc/70/71/06/1065707106.db2.gz OICXDSDKERTIDH-PDGJWGCVSA-N 0 0 486.636 4.532 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001438307106 1065707157 /nfs/dbraw/zinc/70/71/57/1065707157.db2.gz RVFZLXKGGANZRS-MRXNPFEDSA-N 0 0 452.700 4.869 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCSc2ccccc2)C1 ZINC001360639358 1065707370 /nfs/dbraw/zinc/70/73/70/1065707370.db2.gz OSOSHAXYNUBFCN-WOJBJXKFSA-N 0 0 496.681 4.815 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)C1 ZINC001360639593 1065707723 /nfs/dbraw/zinc/70/77/23/1065707723.db2.gz QRFGWQSQBRAXID-GNBJCERTSA-N 0 0 477.694 4.646 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)C1 ZINC001360639592 1065707797 /nfs/dbraw/zinc/70/77/97/1065707797.db2.gz QRFGWQSQBRAXID-DGUDUIIESA-N 0 0 477.694 4.646 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC2CCCC2)C1 ZINC001360639785 1065708240 /nfs/dbraw/zinc/70/82/40/1065708240.db2.gz RYTLDWHBWSQEHO-DENIHFKCSA-N 0 0 468.646 4.584 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC2(F)CCC2)C1 ZINC001360639821 1065708386 /nfs/dbraw/zinc/70/83/86/1065708386.db2.gz SBMSYWKFOGQPDI-VQTJNVASSA-N 0 0 486.636 4.676 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)COc1ccccc1Br ZINC001438319004 1065708519 /nfs/dbraw/zinc/70/85/19/1065708519.db2.gz WJEYSIHAGXBMCU-UHFFFAOYSA-N 0 0 458.761 4.775 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001438319121 1065708693 /nfs/dbraw/zinc/70/86/93/1065708693.db2.gz YXQFXYONNVSDED-NRFANRHFSA-N 0 0 456.992 4.581 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2ccco2)C1 ZINC001360639909 1065708795 /nfs/dbraw/zinc/70/87/95/1065708795.db2.gz SOSUFQSTMKHKSE-RBUKOAKNSA-N 0 0 499.587 4.767 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCc2cccc(F)c2)C1 ZINC001360639958 1065709290 /nfs/dbraw/zinc/70/92/90/1065709290.db2.gz STPTUHBIUWQDFQ-UGKGYDQZSA-N 0 0 494.615 4.852 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(C)CCCO2)C1 ZINC001360639991 1065709350 /nfs/dbraw/zinc/70/93/50/1065709350.db2.gz SVCDEWPBQONNSW-YYULODDRSA-N 0 0 490.048 4.907 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)ccc1F ZINC001438328184 1065709738 /nfs/dbraw/zinc/70/97/38/1065709738.db2.gz CLHJQHABCKVTPU-RUZDIDTESA-N 0 0 458.599 4.555 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CCSC(F)(F)F)CC1 ZINC001360640329 1065709755 /nfs/dbraw/zinc/70/97/55/1065709755.db2.gz VVWPDRGXPXCUTC-AWEZNQCLSA-N 0 0 479.613 4.958 20 0 JJADRN CC(=O)N1CC[C@@H](OC(=O)c2ccc(I)c(Cl)c2)c2ccccc21 ZINC001438323668 1065709974 /nfs/dbraw/zinc/70/99/74/1065709974.db2.gz CNIUMEIFBGNUCQ-QGZVFWFLSA-N 0 0 455.679 4.599 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1OC ZINC001438326139 1065710080 /nfs/dbraw/zinc/71/00/80/1065710080.db2.gz IOOGLKHILPMMRF-GDIGMMSISA-N 0 0 450.760 4.968 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360640584 1065710028 /nfs/dbraw/zinc/71/00/28/1065710028.db2.gz XFPCKNUZFRQDFU-JRSUCEMESA-N 0 0 461.651 4.519 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCC2(C)C)C1 ZINC001360640205 1065710053 /nfs/dbraw/zinc/71/00/53/1065710053.db2.gz VCLKNIBQRPKKJX-UFYCRDLUSA-N 0 0 470.662 4.849 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2[C@@H]2C[C@H]2CF)C1 ZINC001360640754 1065710385 /nfs/dbraw/zinc/71/03/85/1065710385.db2.gz YTTPFTBZIIDFCM-MCNSAMFCSA-N 0 0 475.584 4.668 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2[C@@H]2C[C@H]2CF)C1 ZINC001360640752 1065710604 /nfs/dbraw/zinc/71/06/04/1065710604.db2.gz YTTPFTBZIIDFCM-BOFXEDATSA-N 0 0 475.584 4.668 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360641004 1065711522 /nfs/dbraw/zinc/71/15/22/1065711522.db2.gz BMWKFPLBFMEWCD-BJLQDIEVSA-N 0 0 497.631 4.737 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccccc2)CC1 ZINC001360641024 1065712125 /nfs/dbraw/zinc/71/21/25/1065712125.db2.gz BSLHGBNWHXFUEA-NFBKMPQASA-N 0 0 483.657 4.544 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001360641203 1065712622 /nfs/dbraw/zinc/71/26/22/1065712622.db2.gz DVIRFOCRWXVEOU-QZTJIDSGSA-N 0 0 488.677 4.940 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001360641205 1065712644 /nfs/dbraw/zinc/71/26/44/1065712644.db2.gz DVIRFOCRWXVEOU-ZWKOTPCHSA-N 0 0 488.677 4.940 20 0 JJADRN CC(C)Oc1cc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)ccc1Br ZINC001438340867 1065712684 /nfs/dbraw/zinc/71/26/84/1065712684.db2.gz BSUKPTPYGWKSEQ-UHFFFAOYSA-N 0 0 454.390 4.859 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001438350928 1065714038 /nfs/dbraw/zinc/71/40/38/1065714038.db2.gz FCFBYFWZMXTHRK-QRWLVFNGSA-N 0 0 450.398 4.628 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001438353686 1065714607 /nfs/dbraw/zinc/71/46/07/1065714607.db2.gz SOQRFIQIECBONN-DYESRHJHSA-N 0 0 455.396 4.980 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(F)c2)CC1 ZINC001360641839 1065715209 /nfs/dbraw/zinc/71/52/09/1065715209.db2.gz OCOHQLRXUZEGQY-QGZVFWFLSA-N 0 0 457.594 4.548 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N(c3cccc(F)c3C)[C@H]3CCO[C@@H]3C)c(=O)oc2c1 ZINC001438355869 1065715198 /nfs/dbraw/zinc/71/51/98/1065715198.db2.gz FZXSPOBOSYKUGY-HXOBKFHXSA-N 0 0 453.510 4.701 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(C)CCCC2)C1 ZINC001360642084 1065715829 /nfs/dbraw/zinc/71/58/29/1065715829.db2.gz QFCSELYSHXUHRY-CTNGQTDRSA-N 0 0 468.646 4.584 20 0 JJADRN O=C(c1nn(-c2ccccc2)cc1Br)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001438358153 1065715772 /nfs/dbraw/zinc/71/57/72/1065715772.db2.gz OBKDLOLCNFXPLI-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCO2)CC1 ZINC001360642276 1065716469 /nfs/dbraw/zinc/71/64/69/1065716469.db2.gz RXJKOVUGUFUATR-RXVVDRJESA-N 0 0 489.686 4.629 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)C2 ZINC001438361954 1065716402 /nfs/dbraw/zinc/71/64/02/1065716402.db2.gz GKWUSHWFHFIPKW-DNVCBOLYSA-N 0 0 453.421 4.828 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccsc2)C1 ZINC001360642575 1065716703 /nfs/dbraw/zinc/71/67/03/1065716703.db2.gz VHJAHMGGNKSBCU-MJGOQNOKSA-N 0 0 461.676 4.910 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccsc2)C1 ZINC001360642573 1065716815 /nfs/dbraw/zinc/71/68/15/1065716815.db2.gz VHJAHMGGNKSBCU-HKUYNNGSSA-N 0 0 461.676 4.910 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)Cc1ccccc1OCc1ccncc1)C2 ZINC001438363750 1065717017 /nfs/dbraw/zinc/71/70/17/1065717017.db2.gz MRUORUFRTVYYBO-UHFFFAOYSA-N 0 0 451.364 4.859 20 0 JJADRN CC(C)(NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2o1 ZINC001438369647 1065717386 /nfs/dbraw/zinc/71/73/86/1065717386.db2.gz AWGCTCQPUYLGHM-UHFFFAOYSA-N 0 0 455.363 4.740 20 0 JJADRN CC(C)(NC(=O)c1ccc(F)c(I)c1)c1nc2cc(Cl)ccc2o1 ZINC001438370313 1065717422 /nfs/dbraw/zinc/71/74/22/1065717422.db2.gz DVXGZFOYYQUGOH-UHFFFAOYSA-N 0 0 458.658 4.890 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C)CC2)CC1 ZINC001360643224 1065717658 /nfs/dbraw/zinc/71/76/58/1065717658.db2.gz YRXMETICLGVGOW-SFHVURJKSA-N 0 0 471.621 4.938 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC001360643449 1065717672 /nfs/dbraw/zinc/71/76/72/1065717672.db2.gz LBRLUCVLBFZTFU-UHFFFAOYSA-N 0 0 450.766 4.906 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CC3)n2CCc2ccc(F)cc2Cl)C1 ZINC001360643357 1065717744 /nfs/dbraw/zinc/71/77/44/1065717744.db2.gz ZFXWDOWLDKENRU-MAUKXSAKSA-N 0 0 478.012 4.930 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001360643454 1065717853 /nfs/dbraw/zinc/71/78/53/1065717853.db2.gz LHVSJSZATZUWID-UHFFFAOYSA-N 0 0 454.286 4.839 20 0 JJADRN CN1CCN(c2ccc(NC(=O)C3(c4cccc(OC(F)(F)F)c4)CC3)cc2Cl)CC1 ZINC001360644022 1065718447 /nfs/dbraw/zinc/71/84/47/1065718447.db2.gz KKUUHYIAMNRHMJ-UHFFFAOYSA-N 0 0 453.892 4.661 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCCC(=O)OC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC001438390107 1065718471 /nfs/dbraw/zinc/71/84/71/1065718471.db2.gz IYLPQDNBVXXNPN-WMZHIEFXSA-N 0 0 456.608 4.779 20 0 JJADRN CC(C)(C)OC(=O)CCCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001438390640 1065718718 /nfs/dbraw/zinc/71/87/18/1065718718.db2.gz LJYLLORDINHUIV-UHFFFAOYSA-N 0 0 453.402 4.743 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CCCc2nccs2)C1 ZINC001360644505 1065718863 /nfs/dbraw/zinc/71/88/63/1065718863.db2.gz ABXXARFTGUVSAT-QUCCMNQESA-N 0 0 488.702 4.840 20 0 JJADRN CC(C)(C)OC(=O)CCCCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001438392645 1065719086 /nfs/dbraw/zinc/71/90/86/1065719086.db2.gz JZOHZUYGENXGQT-UHFFFAOYSA-N 0 0 452.345 4.863 20 0 JJADRN CCOCCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCc2ccccc21 ZINC001438398136 1065719528 /nfs/dbraw/zinc/71/95/28/1065719528.db2.gz QHGUHBMVNSEPEE-JOCHJYFZSA-N 0 0 454.368 4.801 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)cc(NC(=O)OC(C)(C)C)c3)CC(=O)N2C)cc1 ZINC001438399254 1065719687 /nfs/dbraw/zinc/71/96/87/1065719687.db2.gz LVYFCVQLQGSCQK-IRLDBZIGSA-N 0 0 453.539 4.509 20 0 JJADRN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)C1=O ZINC001438406860 1065721096 /nfs/dbraw/zinc/72/10/96/1065721096.db2.gz UJMFCPNQAJOKOZ-MJBXVCDLSA-N 0 0 453.486 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC001438407367 1065721344 /nfs/dbraw/zinc/72/13/44/1065721344.db2.gz XBVPVTHZWNOFLW-RBUKOAKNSA-N 0 0 477.483 4.749 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC001438406862 1065721359 /nfs/dbraw/zinc/72/13/59/1065721359.db2.gz UJSSZVDEKHAQHK-TYCQWZJGSA-N 0 0 469.969 4.712 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC2(C)C)C1 ZINC001360646314 1065721620 /nfs/dbraw/zinc/72/16/20/1065721620.db2.gz OVIXUXJYJBHBOR-OTWHNJEPSA-N 0 0 487.620 4.782 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC2(C)C)C1 ZINC001360646311 1065721710 /nfs/dbraw/zinc/72/17/10/1065721710.db2.gz OVIXUXJYJBHBOR-FHWLQOOXSA-N 0 0 487.620 4.782 20 0 JJADRN CSCC[C@H](C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001438408800 1065721809 /nfs/dbraw/zinc/72/18/09/1065721809.db2.gz KIFKXQSJZOZAQF-ITTUMRLJSA-N 0 0 456.652 4.535 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC[C@@H]2CCCCO2)C1 ZINC001360646709 1065722071 /nfs/dbraw/zinc/72/20/71/1065722071.db2.gz RTVAJPZVWIZINX-BVSLBCMMSA-N 0 0 475.678 4.710 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCCCCC2)C1 ZINC001360647367 1065723276 /nfs/dbraw/zinc/72/32/76/1065723276.db2.gz XRCKHZROHKOCGD-IRLDBZIGSA-N 0 0 489.705 4.836 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001438466478 1065723543 /nfs/dbraw/zinc/72/35/43/1065723543.db2.gz XJCBJTGOMQDRSN-AREMUKBSSA-N 0 0 456.652 4.567 20 0 JJADRN Cc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc2c1C ZINC001438476969 1065724111 /nfs/dbraw/zinc/72/41/11/1065724111.db2.gz XKCVYJHXEMTSSQ-HUUCEWRRSA-N 0 0 457.621 4.832 20 0 JJADRN O=C(Nc1nc(C2CCOCC2)ns1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001438479715 1065724173 /nfs/dbraw/zinc/72/41/73/1065724173.db2.gz GCRKYOMAJVYGAP-UHFFFAOYSA-N 0 0 454.499 4.751 20 0 JJADRN Cc1cc(SCC(=O)N2CCN(c3cccc4[nH]ccc43)CC2)c(C)cc1Br ZINC001438480947 1065724202 /nfs/dbraw/zinc/72/42/02/1065724202.db2.gz QNHQVHTVCQOXGV-UHFFFAOYSA-N 0 0 458.425 4.988 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cncc2nc(C(F)(F)F)n(C)c21 ZINC001360649054 1065724123 /nfs/dbraw/zinc/72/41/23/1065724123.db2.gz DJRAPXGCGGARNS-UHFFFAOYSA-N 0 0 459.241 4.551 20 0 JJADRN CC(C)COc1ccccc1C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001360649147 1065724198 /nfs/dbraw/zinc/72/41/98/1065724198.db2.gz FYTCNMCOZKOESI-NRFANRHFSA-N 0 0 450.501 4.544 20 0 JJADRN O=C(CSc1cccc(Br)c1)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001438482546 1065724751 /nfs/dbraw/zinc/72/47/51/1065724751.db2.gz QXKOUYGRPXOAFS-CGTJXYLNSA-N 0 0 453.199 4.758 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c1C ZINC001360652210 1065725191 /nfs/dbraw/zinc/72/51/91/1065725191.db2.gz CSFQUHKPDBQWKR-UHFFFAOYSA-N 0 0 454.368 4.756 20 0 JJADRN C[C@@H](C1CC1)N(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC001438489719 1065725341 /nfs/dbraw/zinc/72/53/41/1065725341.db2.gz GBHIPNZXFZXRSA-HNNXBMFYSA-N 0 0 455.352 4.657 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N(C)CC3(c4ccc(Br)cc4)CC3)CC2=O)cc1 ZINC001360652342 1065725430 /nfs/dbraw/zinc/72/54/30/1065725430.db2.gz FBVFYWMQXNIXMB-SFHVURJKSA-N 0 0 455.396 4.555 20 0 JJADRN C[C@H](C1CC1)N(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001438493642 1065725705 /nfs/dbraw/zinc/72/57/05/1065725705.db2.gz UHDKWSPKTPLYLM-MRXNPFEDSA-N 0 0 450.398 4.835 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)[C@@H]2CCO[C@@H]21 ZINC001360653340 1065726062 /nfs/dbraw/zinc/72/60/62/1065726062.db2.gz XBNNKCIHJFKZQK-QGTPRVQTSA-N 0 0 451.748 4.833 20 0 JJADRN Cc1c(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001438497137 1065726188 /nfs/dbraw/zinc/72/61/88/1065726188.db2.gz AQOCKRUMTYPWEO-UHFFFAOYSA-N 0 0 451.758 4.858 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CC(c4c(F)cccc4F)=NO3)s2)cc1 ZINC001360654690 1065726388 /nfs/dbraw/zinc/72/63/88/1065726388.db2.gz UPAZDXNLQMIKIQ-BLVKFPJESA-N 0 0 457.502 4.776 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(Cl)ccc1OC(F)F ZINC001360655611 1065726815 /nfs/dbraw/zinc/72/68/15/1065726815.db2.gz OPUVGUMMPQVZKU-KUHUBIRLSA-N 0 0 451.897 4.984 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CC(c4c(F)cccc4F)=NO3)s2)cc1 ZINC001360654693 1065727040 /nfs/dbraw/zinc/72/70/40/1065727040.db2.gz UPAZDXNLQMIKIQ-HXPMCKFVSA-N 0 0 457.502 4.776 20 0 JJADRN CCOc1ccc(C(=O)N2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)cc1OCC ZINC001438503107 1065727465 /nfs/dbraw/zinc/72/74/65/1065727465.db2.gz XWDYUTGMIMCZMN-UHFFFAOYSA-N 0 0 456.539 4.548 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)Nc1[nH]nc2cnc(Br)cc21 ZINC001438512753 1065727893 /nfs/dbraw/zinc/72/78/93/1065727893.db2.gz HXYVKIBUIGYMDC-UHFFFAOYSA-N 0 0 456.163 4.522 20 0 JJADRN CC(C)(CC(=O)OCc1ccc(Br)c(F)c1F)NC(=O)OCc1ccccc1 ZINC001438520742 1065727953 /nfs/dbraw/zinc/72/79/53/1065727953.db2.gz GLSHMXLIGULUOF-UHFFFAOYSA-N 0 0 456.283 4.866 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@H]3CCCN(c4ccccc4)C3)cc2)c(C)c1Br ZINC001360659437 1065728283 /nfs/dbraw/zinc/72/82/83/1065728283.db2.gz YLKQCRZSWHZRRC-IBGZPJMESA-N 0 0 453.384 4.650 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)OCc1csc(C(F)(F)F)c1 ZINC001438522061 1065728348 /nfs/dbraw/zinc/72/83/48/1065728348.db2.gz LHXSZJIOQQBAPG-UHFFFAOYSA-N 0 0 454.239 4.532 20 0 JJADRN CCSc1ccc(COC(=O)c2ccccc2S[C@@H](C)C(N)=O)c(Br)c1 ZINC001438525999 1065728607 /nfs/dbraw/zinc/72/86/07/1065728607.db2.gz DUHRTSFEJYJQRS-LBPRGKRZSA-N 0 0 454.411 4.884 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001360658988 1065728543 /nfs/dbraw/zinc/72/85/43/1065728543.db2.gz CFIUQFKWTYYNSQ-HXUWFJFHSA-N 0 0 456.384 4.578 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(Oc2ccccc2F)nc1 ZINC001360663103 1065729008 /nfs/dbraw/zinc/72/90/08/1065729008.db2.gz FLTANYKDGLDTRK-INIZCTEOSA-N 0 0 456.315 4.784 20 0 JJADRN O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001360663369 1065729017 /nfs/dbraw/zinc/72/90/17/1065729017.db2.gz IFVNKEOVLXZVRX-LJQANCHMSA-N 0 0 451.364 4.890 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001438531562 1065729026 /nfs/dbraw/zinc/72/90/26/1065729026.db2.gz YOKFNNIOPVFGGM-UHFFFAOYSA-N 0 0 453.438 4.984 20 0 JJADRN O=C(NCc1ccc(OC(F)F)cc1F)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001438530688 1065729075 /nfs/dbraw/zinc/72/90/75/1065729075.db2.gz ZEZAYQNWGHTVLS-UHFFFAOYSA-N 0 0 453.823 4.824 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1 ZINC001360664090 1065729531 /nfs/dbraw/zinc/72/95/31/1065729531.db2.gz UPGYXRXWAFHZDK-WOJBJXKFSA-N 0 0 452.570 4.841 20 0 JJADRN C[C@@H]1CCC[C@H](C)N(C(=O)c2cn(C)nc2[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC001360663757 1065729582 /nfs/dbraw/zinc/72/95/82/1065729582.db2.gz NZAIVIPGBDDZMZ-RZUBCFFCSA-N 0 0 452.599 4.587 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001360664401 1065729670 /nfs/dbraw/zinc/72/96/70/1065729670.db2.gz ZZRAFUFDTALTKH-FQEVSTJZSA-N 0 0 457.412 4.882 20 0 JJADRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360667329 1065730511 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C[C@](O)(C1CCN(c2nnc(Cc3ccccc3F)n2CCCC2CCOCC2)CC1)C(F)(F)F ZINC001360722511 1065749186 /nfs/dbraw/zinc/74/91/86/1065749186.db2.gz QQSIUJIXFIWROX-DEOSSOPVSA-N 0 0 498.565 4.745 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1)C(F)(F)F ZINC001360722546 1065749256 /nfs/dbraw/zinc/74/92/56/1065749256.db2.gz REVZVGOMVBPOPT-WIYYLYMNSA-N 0 0 470.923 4.821 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001360722453 1065749271 /nfs/dbraw/zinc/74/92/71/1065749271.db2.gz PYKXUAAJJZPONY-IBGZPJMESA-N 0 0 478.437 4.632 20 0 JJADRN C[C@](O)(C1CCN(c2nnc([C@H]3CCCCO3)n2CCOC2CCCCCC2)CC1)C(F)(F)F ZINC001360722399 1065749298 /nfs/dbraw/zinc/74/92/98/1065749298.db2.gz PAWIITSTBMNNPC-OFNKIYASSA-N 0 0 488.595 4.789 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(C2CC2)cc1F ZINC001438748984 1065749368 /nfs/dbraw/zinc/74/93/68/1065749368.db2.gz VTKIXRMXSGCUTN-SFHVURJKSA-N 0 0 450.297 4.854 20 0 JJADRN COC(=O)C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)c2ccccc21 ZINC001438750512 1065749423 /nfs/dbraw/zinc/74/94/23/1065749423.db2.gz MYTVNKWWGLZKIN-OAHLLOKOSA-N 0 0 453.489 4.890 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c1 ZINC001438763047 1065750338 /nfs/dbraw/zinc/75/03/38/1065750338.db2.gz KDSLSKUIJZQQNW-CEWLAPEOSA-N 0 0 457.368 4.793 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC(F)F)CC1)C(F)(F)F ZINC001360722903 1065750386 /nfs/dbraw/zinc/75/03/86/1065750386.db2.gz YRQLBGFOQWTXFV-IBGZPJMESA-N 0 0 482.881 4.758 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001438773392 1065750976 /nfs/dbraw/zinc/75/09/76/1065750976.db2.gz WXFUUPIZDCJJTO-JEBQAFNWSA-N 0 0 455.577 4.862 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC001360724302 1065751657 /nfs/dbraw/zinc/75/16/57/1065751657.db2.gz NBUBOYNJFMKGFI-YVEFUNNKSA-N 0 0 479.366 4.709 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccc2Cl)CC1)C(F)(F)F ZINC001360724769 1065752168 /nfs/dbraw/zinc/75/21/68/1065752168.db2.gz WOCYWXYUKQMHTF-HSZRJFAPSA-N 0 0 493.961 4.690 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C1(C)C ZINC001360725514 1065752491 /nfs/dbraw/zinc/75/24/91/1065752491.db2.gz QKZAHIMLUYHOII-SFTDATJTSA-N 0 0 450.608 4.688 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001438791657 1065752589 /nfs/dbraw/zinc/75/25/89/1065752589.db2.gz DRZQFYSSQRXOIU-KGVIQGDOSA-N 0 0 451.405 4.633 20 0 JJADRN COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC001438796040 1065752909 /nfs/dbraw/zinc/75/29/09/1065752909.db2.gz CSQSRWBWBNRPFE-UHFFFAOYSA-N 0 0 454.408 4.542 20 0 JJADRN C[C@](O)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1CCCCC1 ZINC001360726164 1065752932 /nfs/dbraw/zinc/75/29/32/1065752932.db2.gz AIEQGXHUHWYWAL-SFHVURJKSA-N 0 0 479.469 4.926 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC001360726184 1065752977 /nfs/dbraw/zinc/75/29/77/1065752977.db2.gz MIXXCGJPEJACPC-QFIPXVFZSA-N 0 0 455.396 4.708 20 0 JJADRN CCc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c2c(CC(C)(C)C)noc2n1 ZINC001438794029 1065753166 /nfs/dbraw/zinc/75/31/66/1065753166.db2.gz OIJSHMXLUGJQCI-QGZVFWFLSA-N 0 0 458.603 4.893 20 0 JJADRN COc1ccc(C(=O)NC(C2CCCCC2)C2CCCCC2)cc1S(=O)(=O)NC(C)C ZINC001438815996 1065754055 /nfs/dbraw/zinc/75/40/55/1065754055.db2.gz BNRJRGOJQGQGGT-UHFFFAOYSA-N 0 0 450.645 4.641 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001438816059 1065754104 /nfs/dbraw/zinc/75/41/04/1065754104.db2.gz GSARMSSVSQQNIM-PUHATCMVSA-N 0 0 451.542 4.746 20 0 JJADRN Cc1cccc(OC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c1Br ZINC001438816566 1065754185 /nfs/dbraw/zinc/75/41/85/1065754185.db2.gz JADRLMIIUWYJQA-UHFFFAOYSA-N 0 0 455.345 4.979 20 0 JJADRN CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)C2CC2)CCO1 ZINC001360727507 1065754601 /nfs/dbraw/zinc/75/46/01/1065754601.db2.gz UYKKHGYDZKORBC-RTWAWAEBSA-N 0 0 483.476 4.572 20 0 JJADRN COc1cccc([C@H](C)CCCC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001438820194 1065754743 /nfs/dbraw/zinc/75/47/43/1065754743.db2.gz FYQZRLVTMAPAPL-VFNWGFHPSA-N 0 0 459.384 4.801 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1)c1ccco1 ZINC001360727737 1065755144 /nfs/dbraw/zinc/75/51/44/1065755144.db2.gz YUMWWNFHUGRQIW-YEJXKQKISA-N 0 0 499.331 4.829 20 0 JJADRN C[C@](O)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1)c1ccco1 ZINC001360727738 1065755185 /nfs/dbraw/zinc/75/51/85/1065755185.db2.gz YUMWWNFHUGRQIW-ZSEKCTLFSA-N 0 0 499.331 4.829 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 ZINC001360728487 1065755956 /nfs/dbraw/zinc/75/59/56/1065755956.db2.gz MYZJYIHXXBMCPR-IIBYNOLFSA-N 0 0 468.520 4.756 20 0 JJADRN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@H](c1cccc(Cl)c1)C(F)F ZINC001438832372 1065756643 /nfs/dbraw/zinc/75/66/43/1065756643.db2.gz VHHJBJNJMJYOOU-LJQANCHMSA-N 0 0 459.905 4.901 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)OCc2ccc(Br)cc2Cl)CC1=O ZINC001360729270 1065757059 /nfs/dbraw/zinc/75/70/59/1065757059.db2.gz FXIFYKGHDDJJIJ-AWEZNQCLSA-N 0 0 452.732 4.598 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001438851397 1065757802 /nfs/dbraw/zinc/75/78/02/1065757802.db2.gz VZTFAWQYBLWIDM-JXFKEZNVSA-N 0 0 455.860 4.804 20 0 JJADRN CC(=O)c1ccc(N(C)C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 ZINC001438854045 1065758192 /nfs/dbraw/zinc/75/81/92/1065758192.db2.gz LIKYXVKFRJGJAA-UHFFFAOYSA-N 0 0 452.352 4.993 20 0 JJADRN C[C@](O)(Cn1c(CCOc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1)c1cccs1 ZINC001360730991 1065758275 /nfs/dbraw/zinc/75/82/75/1065758275.db2.gz BWDZOLZCWQQVBD-QFIPXVFZSA-N 0 0 478.540 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC001360730723 1065758290 /nfs/dbraw/zinc/75/82/90/1065758290.db2.gz VAAYYDPDZMOCDS-QHCPKHFHSA-N 0 0 454.567 4.567 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360731334 1065758690 /nfs/dbraw/zinc/75/86/90/1065758690.db2.gz CZBITCPFEICJDX-TZIWHRDSSA-N 0 0 485.673 4.662 20 0 JJADRN Cn1cc(CN(C(=O)Cc2cccc(C(F)(F)F)c2)c2ccc(Br)cc2)cn1 ZINC001438856562 1065758985 /nfs/dbraw/zinc/75/89/85/1065758985.db2.gz SJTRGHNAAGYKPQ-UHFFFAOYSA-N 0 0 452.274 4.977 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360731329 1065758936 /nfs/dbraw/zinc/75/89/36/1065758936.db2.gz CZBITCPFEICJDX-CTNGQTDRSA-N 0 0 485.673 4.662 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)cc1 ZINC001360731743 1065759328 /nfs/dbraw/zinc/75/93/28/1065759328.db2.gz GMGGPOJAZVMWAE-AUSIDOKSSA-N 0 0 483.657 4.731 20 0 JJADRN C[C@@](O)(Cn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccco1 ZINC001360731524 1065759435 /nfs/dbraw/zinc/75/94/35/1065759435.db2.gz JBMPRNXBCBMZCX-HSZRJFAPSA-N 0 0 462.516 4.733 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001438863514 1065759570 /nfs/dbraw/zinc/75/95/70/1065759570.db2.gz PVQYKQXZXOGZJD-HOYKHHGWSA-N 0 0 457.412 4.517 20 0 JJADRN O=C(NCC[C@H]1CCCC1(F)F)c1ccc(I)c(Br)c1 ZINC001438858905 1065759796 /nfs/dbraw/zinc/75/97/96/1065759796.db2.gz QNSGZQUOFUUMAS-SNVBAGLBSA-N 0 0 458.084 4.609 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccco2)cc1 ZINC001360731882 1065759875 /nfs/dbraw/zinc/75/98/75/1065759875.db2.gz HMGNWVZMTYMWCF-IBGZPJMESA-N 0 0 495.624 4.724 20 0 JJADRN C[C@@](O)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCSCC1)c1ccsc1 ZINC001360732059 1065759935 /nfs/dbraw/zinc/75/99/35/1065759935.db2.gz OWXFFSYKORCZMV-HXUWFJFHSA-N 0 0 467.085 4.746 20 0 JJADRN C[C@](O)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC001360732525 1065760988 /nfs/dbraw/zinc/76/09/88/1065760988.db2.gz UOWDFALHZRGFNC-VFNWGFHPSA-N 0 0 484.519 4.744 20 0 JJADRN COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001438879268 1065761089 /nfs/dbraw/zinc/76/10/89/1065761089.db2.gz ZDTPZCSXGQKFNB-UHFFFAOYSA-N 0 0 450.988 4.951 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3ccc(Oc4ccc(C)cn4)cc3)C2)nc1C ZINC001438881383 1065761479 /nfs/dbraw/zinc/76/14/79/1065761479.db2.gz ICWWUZBQHTUXII-SFHVURJKSA-N 0 0 451.548 4.754 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3sc(-c4ccc(OC)cc4F)nc3C)CC2)cc1 ZINC001438881870 1065761505 /nfs/dbraw/zinc/76/15/05/1065761505.db2.gz AYWDYDGCDYBKJG-UHFFFAOYSA-N 0 0 453.583 4.787 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCc2cc(F)c(F)cc2C1 ZINC001438881265 1065761606 /nfs/dbraw/zinc/76/16/06/1065761606.db2.gz HLTIDPJEAHIGKO-UHFFFAOYSA-N 0 0 459.846 4.833 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC001360733495 1065762215 /nfs/dbraw/zinc/76/22/15/1065762215.db2.gz WWVYQEFPUJDVML-HXUWFJFHSA-N 0 0 496.700 4.569 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)CCCOc3ccc(C)cc3Cl)C2)nc1C ZINC001438883063 1065762253 /nfs/dbraw/zinc/76/22/53/1065762253.db2.gz KTZQVQHGLGALBZ-INIZCTEOSA-N 0 0 450.988 4.765 20 0 JJADRN CCCn1c(C)c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c2cc(OC)ccc21 ZINC001360734475 1065762569 /nfs/dbraw/zinc/76/25/69/1065762569.db2.gz WAKCVMRHPYPRAM-QFIPXVFZSA-N 0 0 453.970 4.899 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1OCC ZINC001360734487 1065762605 /nfs/dbraw/zinc/76/26/05/1065762605.db2.gz WGGPRRQXNUXHHC-FQEVSTJZSA-N 0 0 458.986 4.679 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)COc1ccc(Br)cc1F)CCCC2 ZINC001438886248 1065762674 /nfs/dbraw/zinc/76/26/74/1065762674.db2.gz CQWWEAXJWWMVEK-QGZVFWFLSA-N 0 0 452.320 4.568 20 0 JJADRN COc1ccc(C(=O)N2CCCSC[C@@H]2c2ccccc2)c(I)c1 ZINC001438905765 1065764357 /nfs/dbraw/zinc/76/43/57/1065764357.db2.gz AZFQEZBOVZBDNR-GOSISDBHSA-N 0 0 453.345 4.620 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1F ZINC001438906050 1065764465 /nfs/dbraw/zinc/76/44/65/1065764465.db2.gz BTRQLJJNCAUWEH-QGZVFWFLSA-N 0 0 456.901 4.838 20 0 JJADRN CCCc1ccc([C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C(C)C)cc1 ZINC001360736304 1065764539 /nfs/dbraw/zinc/76/45/39/1065764539.db2.gz XTVMNJBEPNMKHS-HSZRJFAPSA-N 0 0 459.384 4.641 20 0 JJADRN CNC(=O)N(C)c1ccc(NC(=O)CCc2cc(C(F)(F)F)ccc2Br)cc1 ZINC001438911112 1065765024 /nfs/dbraw/zinc/76/50/24/1065765024.db2.gz SIMBGIHEYRQQLN-UHFFFAOYSA-N 0 0 458.278 4.815 20 0 JJADRN CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001438909303 1065765072 /nfs/dbraw/zinc/76/50/72/1065765072.db2.gz HWXXNKFZLHSVSU-XMMPIXPASA-N 0 0 452.595 4.528 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)CC2 ZINC001438909554 1065765083 /nfs/dbraw/zinc/76/50/83/1065765083.db2.gz MHEXDCOEJMWYKW-UHFFFAOYSA-N 0 0 457.420 4.840 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC1([S@@](C)=O)CCC1 ZINC001360736466 1065765060 /nfs/dbraw/zinc/76/50/60/1065765060.db2.gz BEJSMOXOFPWMSC-AESQFQPQSA-N 0 0 492.020 4.543 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 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ZINC001360743504 1065779312 /nfs/dbraw/zinc/77/93/12/1065779312.db2.gz FOXXCLPAVXRTOV-RTBURBONSA-N 0 0 460.594 4.768 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC001439045344 1065779804 /nfs/dbraw/zinc/77/98/04/1065779804.db2.gz UODCSRFPVLUFMA-IFXJQAMLSA-N 0 0 457.876 4.708 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC001439043616 1065779834 /nfs/dbraw/zinc/77/98/34/1065779834.db2.gz HUMDXPBBXHAWPC-FQEVSTJZSA-N 0 0 450.457 4.643 20 0 JJADRN COc1cc(C(=O)NCCC[C@H]2CCOC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001439043837 1065779867 /nfs/dbraw/zinc/77/98/67/1065779867.db2.gz ZWPRVWUKIPKBBT-AWEZNQCLSA-N 0 0 452.334 4.654 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H](C)c1nccnc1C ZINC001439060860 1065781485 /nfs/dbraw/zinc/78/14/85/1065781485.db2.gz QAYYIONZQROIOA-AWEZNQCLSA-N 0 0 451.518 4.923 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C)CC2)n1CCCOC1CCOCC1 ZINC001360744288 1065781883 /nfs/dbraw/zinc/78/18/83/1065781883.db2.gz QSKRAMHCKRMPJE-LJQANCHMSA-N 0 0 460.594 4.769 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360744572 1065782241 /nfs/dbraw/zinc/78/22/41/1065782241.db2.gz WTAAFYFQANNHDA-OALUTQOASA-N 0 0 492.661 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCn1cc(Cl)cn1 ZINC001360744617 1065782362 /nfs/dbraw/zinc/78/23/62/1065782362.db2.gz XVIILALXPJATPJ-IRXDYDNUSA-N 0 0 460.985 4.980 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001360744661 1065782742 /nfs/dbraw/zinc/78/27/42/1065782742.db2.gz YUIVJMVIKMEMKQ-NSYGIPOTSA-N 0 0 460.594 4.502 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCC(C)(F)F ZINC001360744862 1065783212 /nfs/dbraw/zinc/78/32/12/1065783212.db2.gz CAKXESZYUXIBOK-QGZVFWFLSA-N 0 0 492.521 4.853 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC(C)(C)C2)n1Cc1nccc(C(F)F)n1 ZINC001360744896 1065783335 /nfs/dbraw/zinc/78/33/35/1065783335.db2.gz CQZRQXIRGXJNHZ-OAHLLOKOSA-N 0 0 460.504 4.960 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360745100 1065783923 /nfs/dbraw/zinc/78/39/23/1065783923.db2.gz GXENLYDVOYNKGH-LEEZHDJYSA-N 0 0 474.621 4.892 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC001439094946 1065784104 /nfs/dbraw/zinc/78/41/04/1065784104.db2.gz QDHIIOWRVVGIFK-QFIPXVFZSA-N 0 0 451.592 4.502 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001439093149 1065784117 /nfs/dbraw/zinc/78/41/17/1065784117.db2.gz JKJYDLIOFNOALC-HYBUGGRVSA-N 0 0 459.974 4.801 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)nc2)c1 ZINC001439092384 1065784237 /nfs/dbraw/zinc/78/42/37/1065784237.db2.gz GWYMLLGBRXFSEA-PXDATVDWSA-N 0 0 453.539 4.544 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccco1 ZINC001360745255 1065784260 /nfs/dbraw/zinc/78/42/60/1065784260.db2.gz IDWLUGJUDUHARU-RTBURBONSA-N 0 0 483.588 4.577 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360745527 1065784745 /nfs/dbraw/zinc/78/47/45/1065784745.db2.gz MDAZOCODHZJHNY-QRKMNUTDSA-N 0 0 491.583 4.923 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360745540 1065784814 /nfs/dbraw/zinc/78/48/14/1065784814.db2.gz MHWWGYPMDQZADQ-RTBURBONSA-N 0 0 473.593 4.805 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001439095803 1065784885 /nfs/dbraw/zinc/78/48/85/1065784885.db2.gz TYZQIURTCMETKK-OAQYLSRUSA-N 0 0 457.592 4.736 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1CCCCO1 ZINC001360745600 1065785243 /nfs/dbraw/zinc/78/52/43/1065785243.db2.gz NCWTZRGLAAQGCV-TXPKVOOTSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@]12CN(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001439097146 1065785443 /nfs/dbraw/zinc/78/54/43/1065785443.db2.gz RJDWQMVGHIQGNM-SZPZYZBQSA-N 0 0 450.025 4.529 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)Cc1ccccc1OCc1ccncc1)c1ccccc1Cl ZINC001439099138 1065785472 /nfs/dbraw/zinc/78/54/72/1065785472.db2.gz MJEOWQLBJMWGJA-JOCHJYFZSA-N 0 0 452.938 4.667 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CC(F)(F)Br ZINC001360745591 1065785257 /nfs/dbraw/zinc/78/52/57/1065785257.db2.gz NAHLHRJNZBHNSQ-GRDNDAEWSA-N 0 0 489.336 4.550 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCOCC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360745618 1065785348 /nfs/dbraw/zinc/78/53/48/1065785348.db2.gz NNLJNSNKYCCTGL-QZTJIDSGSA-N 0 0 452.521 5.000 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCCCO1 ZINC001360745598 1065785361 /nfs/dbraw/zinc/78/53/61/1065785361.db2.gz NCWTZRGLAAQGCV-FCEWJHQRSA-N 0 0 456.484 4.905 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)COc2cccc3cccnc32)CC1 ZINC001439101233 1065785762 /nfs/dbraw/zinc/78/57/62/1065785762.db2.gz HVURCJDAJJNHLV-NRFANRHFSA-N 0 0 453.583 4.690 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)c2)c(C)c1 ZINC001439099980 1065785873 /nfs/dbraw/zinc/78/58/73/1065785873.db2.gz USBDKWBDXCCOKA-GJZUVCINSA-N 0 0 451.567 4.728 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360745644 1065785811 /nfs/dbraw/zinc/78/58/11/1065785811.db2.gz NVQVVTQXUWRJOX-LISAXSMJSA-N 0 0 483.510 4.553 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC3(CC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360745702 1065785843 /nfs/dbraw/zinc/78/58/43/1065785843.db2.gz OTAGXUDSBDMKTG-GOSISDBHSA-N 0 0 473.593 4.805 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCCC1(C)C ZINC001360745962 1065787072 /nfs/dbraw/zinc/78/70/72/1065787072.db2.gz QXCSNQZIXMYRAY-NNMXDRDESA-N 0 0 492.661 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCCC1(C)C ZINC001360745961 1065787133 /nfs/dbraw/zinc/78/71/33/1065787133.db2.gz QXCSNQZIXMYRAY-JQVVWYNYSA-N 0 0 492.661 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H]1C ZINC001360746028 1065787659 /nfs/dbraw/zinc/78/76/59/1065787659.db2.gz RUFKPKDMVXHGRY-IIMDRIAPSA-N 0 0 473.593 4.879 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360746526 1065787942 /nfs/dbraw/zinc/78/79/42/1065787942.db2.gz WXXYDGCEQAWYHZ-OAHLLOKOSA-N 0 0 465.451 4.650 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360746525 1065787995 /nfs/dbraw/zinc/78/79/95/1065787995.db2.gz WXXYDGCEQAWYHZ-HNNXBMFYSA-N 0 0 465.451 4.650 20 0 JJADRN O=C(CCc1cccc(F)c1Br)NCCN(Cc1ccccc1)c1ccccn1 ZINC001439112106 1065788626 /nfs/dbraw/zinc/78/86/26/1065788626.db2.gz VCCNFZCWMCRKDR-UHFFFAOYSA-N 0 0 456.359 4.739 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOc1ncccc1F ZINC001360746686 1065788550 /nfs/dbraw/zinc/78/85/50/1065788550.db2.gz XWQBPPXYKNIJGM-UWJYYQICSA-N 0 0 457.525 4.795 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCc3sccc3C2)n1CC[S@@](=O)C(C)(C)C ZINC001360746692 1065788582 /nfs/dbraw/zinc/78/85/82/1065788582.db2.gz XYZIYHCOECSTHJ-HEJPQYQCSA-N 0 0 476.643 4.729 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCc3sccc3C2)n1CC[S@](=O)C(C)(C)C ZINC001360746691 1065788595 /nfs/dbraw/zinc/78/85/95/1065788595.db2.gz XYZIYHCOECSTHJ-FTDQSSOUSA-N 0 0 476.643 4.729 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH]c3cnccc23)C1)C1CCCC1 ZINC001439112387 1065788684 /nfs/dbraw/zinc/78/86/84/1065788684.db2.gz PXVKIAVMANOMPG-GCJKJVERSA-N 0 0 454.615 4.818 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001360747042 1065788977 /nfs/dbraw/zinc/78/89/77/1065788977.db2.gz KQCLNAXDRQLGDF-UHFFFAOYSA-N 0 0 458.374 4.899 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)C(C)(C)c1csc(-c3c(F)cccc3F)n1)CC2 ZINC001439115589 1065788973 /nfs/dbraw/zinc/78/89/73/1065788973.db2.gz CODVLKQRPAHAPF-UHFFFAOYSA-N 0 0 455.530 4.909 20 0 JJADRN Cn1cnc2cccc(C(=O)N3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c21 ZINC001439112521 1065789090 /nfs/dbraw/zinc/78/90/90/1065789090.db2.gz UKVHAMRCFVNPHA-GCJKJVERSA-N 0 0 454.615 4.899 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3F)on2)(C(F)(F)F)CC1 ZINC001439119312 1065790045 /nfs/dbraw/zinc/79/00/45/1065790045.db2.gz UQEXQYIJVVBXQM-UHFFFAOYSA-N 0 0 457.424 4.543 20 0 JJADRN CC(C)[C@@H]1CCC[C@@](NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)(C(F)(F)F)CC1 ZINC001439121923 1065790205 /nfs/dbraw/zinc/79/02/05/1065790205.db2.gz AALKMWZJVWZTAS-VGSWGCGISA-N 0 0 459.574 4.993 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439126806 1065790643 /nfs/dbraw/zinc/79/06/43/1065790643.db2.gz COOVBABIWCQRSH-LFWOZUSOSA-N 0 0 464.915 4.942 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1cccs1 ZINC001360748811 1065790998 /nfs/dbraw/zinc/79/09/98/1065790998.db2.gz GWYDTCMIJWWGCQ-CVEARBPZSA-N 0 0 483.535 4.740 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@]1(C(F)(F)F)CCC[C@@H](C(C)(C)C)CC1)C2=O ZINC001439133671 1065791153 /nfs/dbraw/zinc/79/11/53/1065791153.db2.gz VGPKLMSGZCLZFV-AJAKECSLSA-N 0 0 459.553 4.531 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439134117 1065791584 /nfs/dbraw/zinc/79/15/84/1065791584.db2.gz NHZVYNRGOSVCEN-FXDLVEKMSA-N 0 0 458.382 4.546 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)O2 ZINC001439137583 1065792611 /nfs/dbraw/zinc/79/26/11/1065792611.db2.gz WHOVYWCNOFSLJL-ZUZNIGHFSA-N 0 0 455.517 4.814 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1OC ZINC001439153294 1065792995 /nfs/dbraw/zinc/79/29/95/1065792995.db2.gz BRXBJBYJZKIRON-IATMXGELSA-N 0 0 452.595 4.969 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1Cl ZINC001439154257 1065793118 /nfs/dbraw/zinc/79/31/18/1065793118.db2.gz OFFRUPAKHLXADN-HXUWFJFHSA-N 0 0 457.958 4.582 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360749798 1065793175 /nfs/dbraw/zinc/79/31/75/1065793175.db2.gz QILIYADZKPJAEB-JWPALKGDSA-N 0 0 474.621 4.750 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC12CCC(CC1)C2 ZINC001360749773 1065793260 /nfs/dbraw/zinc/79/32/60/1065793260.db2.gz IIBIIUSGKHEFRO-PVTCUJNXSA-N 0 0 495.089 4.910 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccc(C(=O)N(C)C)nc2)cc1 ZINC001439160482 1065793466 /nfs/dbraw/zinc/79/34/66/1065793466.db2.gz NJFNSGQRRSBJCA-UHFFFAOYSA-N 0 0 453.546 4.759 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)cc(Cl)c1F ZINC001439159517 1065793545 /nfs/dbraw/zinc/79/35/45/1065793545.db2.gz ZLBMLONBBZECFN-ZDUSSCGKSA-N 0 0 459.370 4.798 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC(=O)NC(C)(C)C ZINC001360750034 1065793714 /nfs/dbraw/zinc/79/37/14/1065793714.db2.gz STHONHMAMKBSKS-HFJWLAOPSA-N 0 0 489.636 4.503 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)co2)cc1 ZINC001439167072 1065793891 /nfs/dbraw/zinc/79/38/91/1065793891.db2.gz FAQLUIHDUJUGQM-LAUBAEHRSA-N 0 0 458.345 4.793 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 ZINC001439166350 1065793993 /nfs/dbraw/zinc/79/39/93/1065793993.db2.gz DLNVXHMJYIBMBG-IBGZPJMESA-N 0 0 457.368 4.924 20 0 JJADRN C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001360750187 1065794240 /nfs/dbraw/zinc/79/42/40/1065794240.db2.gz LIBHZIAAZYSWBC-IAGOWNOFSA-N 0 0 493.649 4.802 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)c3cc(Cl)ccc3I)co2)cc1 ZINC001439170818 1065794109 /nfs/dbraw/zinc/79/41/09/1065794109.db2.gz OZFAHQWCUMSTTN-UHFFFAOYSA-N 0 0 452.679 4.838 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC(=O)N(C)C1CCCCC1 ZINC001360750333 1065794600 /nfs/dbraw/zinc/79/46/00/1065794600.db2.gz LXJIDIBIMDZDIP-QYZOEREBSA-N 0 0 489.661 4.679 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC1(O)CCOCC1 ZINC001360750334 1065794662 /nfs/dbraw/zinc/79/46/62/1065794662.db2.gz LXNMVXXALPBDJL-DLBZAZTESA-N 0 0 477.030 4.872 20 0 JJADRN Cc1ccn([C@@H](C)CC(=O)Nc2cc(I)cc(C(F)(F)F)c2C)n1 ZINC001439179949 1065794949 /nfs/dbraw/zinc/79/49/49/1065794949.db2.gz KNYFHOGFPOPPLM-JTQLQIEISA-N 0 0 451.230 4.713 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360750391 1065795153 /nfs/dbraw/zinc/79/51/53/1065795153.db2.gz MERCCDPCPYCNTM-ZDUSSCGKSA-N 0 0 487.548 4.828 20 0 JJADRN O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCc2cc(Br)ccc21 ZINC001439184578 1065796137 /nfs/dbraw/zinc/79/61/37/1065796137.db2.gz NIXZPXIKAKMVDN-WBVHZDCISA-N 0 0 451.158 4.881 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)Nc1nc2c(cccc2Br)[nH]1 ZINC001439192041 1065796462 /nfs/dbraw/zinc/79/64/62/1065796462.db2.gz MZACGGGXJRXDDM-UHFFFAOYSA-N 0 0 452.308 4.922 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)CCn1cnccc1=O ZINC001439191699 1065796588 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4.886 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001439204378 1065798525 /nfs/dbraw/zinc/79/85/25/1065798525.db2.gz VEVKSESWMAKVSH-GUYCJALGSA-N 0 0 450.288 4.565 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccco2)n1C[C@](C)(O)c1ccco1 ZINC001360753260 1065798761 /nfs/dbraw/zinc/79/87/61/1065798761.db2.gz ABAPHKQYQFBCAM-MWTRTKDXSA-N 0 0 456.930 4.802 20 0 JJADRN CCc1ccc(Br)cc1C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl ZINC001439209778 1065798812 /nfs/dbraw/zinc/79/88/12/1065798812.db2.gz BRBZFXQLUPJOEH-UHFFFAOYSA-N 0 0 453.720 4.662 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360753347 1065798893 /nfs/dbraw/zinc/79/88/93/1065798893.db2.gz BISLUDCSPHUKLV-HNNXBMFYSA-N 0 0 491.004 4.520 20 0 JJADRN COCc1c(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)cnn1-c1ccccc1 ZINC001439206167 1065798911 /nfs/dbraw/zinc/79/89/11/1065798911.db2.gz YYWGHCZOCHZDKN-UHFFFAOYSA-N 0 0 454.958 4.700 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001439218151 1065799902 /nfs/dbraw/zinc/79/99/02/1065799902.db2.gz KVUHOVZQZAXYEA-SJLPKXTDSA-N 0 0 480.049 4.625 20 0 JJADRN Cc1cc(C)c(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(C)c1Br ZINC001439218000 1065800064 /nfs/dbraw/zinc/80/00/64/1065800064.db2.gz JYSZHWFFABDHLR-NVXWUHKLSA-N 0 0 453.421 4.997 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCSC(F)(F)F ZINC001360753734 1065800526 /nfs/dbraw/zinc/80/05/26/1065800526.db2.gz HYTXDNRCSUPCBI-ZDUSSCGKSA-N 0 0 493.983 4.675 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)C2)n1CCNC(=O)c1cccs1 ZINC001360753973 1065802179 /nfs/dbraw/zinc/80/21/79/1065802179.db2.gz MCEVIWJTZRZOJY-HJOIGYKYSA-N 0 0 492.020 4.747 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cnccc3-c3ccc(N(C)C)cc3)no2)c1 ZINC001439232873 1065803019 /nfs/dbraw/zinc/80/30/19/1065803019.db2.gz BOPVHZZOBILZIF-UHFFFAOYSA-N 0 0 456.502 4.837 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@H]1c2ccccc2OC[C@H]1F ZINC001439234380 1065803187 /nfs/dbraw/zinc/80/31/87/1065803187.db2.gz GPTLLVIJVHGCNG-DYVFJYSZSA-N 0 0 453.358 4.765 20 0 JJADRN Cc1cc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)sc1-c1cccc(Cl)c1 ZINC001439239878 1065803224 /nfs/dbraw/zinc/80/32/24/1065803224.db2.gz VPXAJMGKBLCTEL-UHFFFAOYSA-N 0 0 455.045 4.747 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[S@@](=O)C(C)(C)C ZINC001360754298 1065803752 /nfs/dbraw/zinc/80/37/52/1065803752.db2.gz RDJLTFHDXNJMKK-YXOGEAQLSA-N 0 0 471.092 4.560 20 0 JJADRN CC1(C)CO[C@@H](CCNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 ZINC001439247609 1065803826 /nfs/dbraw/zinc/80/38/26/1065803826.db2.gz NXJRQNMFGWAZSI-INIZCTEOSA-N 0 0 454.368 4.994 20 0 JJADRN Cc1ccc(C(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)cc1I ZINC001439247019 1065803919 /nfs/dbraw/zinc/80/39/19/1065803919.db2.gz XQWWZVBONROVCM-UHFFFAOYSA-N 0 0 457.315 4.980 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1C[C@@H]1CSCCS1 ZINC001360754385 1065804139 /nfs/dbraw/zinc/80/41/39/1065804139.db2.gz SVWDNQGUAJFCMR-OXQOHEQNSA-N 0 0 483.103 4.783 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1C[C@@H]1CSCCS1 ZINC001360754384 1065804281 /nfs/dbraw/zinc/80/42/81/1065804281.db2.gz SVWDNQGUAJFCMR-OXJNMPFZSA-N 0 0 483.103 4.783 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001360754439 1065805161 /nfs/dbraw/zinc/80/51/61/1065805161.db2.gz UPZASCYUZWWDHV-INIZCTEOSA-N 0 0 460.026 4.949 20 0 JJADRN CCN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439254935 1065805182 /nfs/dbraw/zinc/80/51/82/1065805182.db2.gz YLNOFXSCWXODHK-ZDUSSCGKSA-N 0 0 451.778 4.884 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O ZINC001360754444 1065805295 /nfs/dbraw/zinc/80/52/95/1065805295.db2.gz UUADNEIQWOUEFZ-LPHOPBHVSA-N 0 0 469.051 4.521 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1([S@](C)=O)CCC1 ZINC001360754569 1065805852 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MCPHXQGUSLWYSA-FCGDIQPGSA-N 0 0 472.429 4.868 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCCOCC(F)F ZINC001360755159 1065807334 /nfs/dbraw/zinc/80/73/34/1065807334.db2.gz ADVJQMGNILDGPO-MJGOQNOKSA-N 0 0 499.002 4.875 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360754671 1065807561 /nfs/dbraw/zinc/80/75/61/1065807561.db2.gz YYWLXXGMFSRQNF-KRWDZBQOSA-N 0 0 483.078 4.911 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1CCc1nnc2n1CCCCC2 ZINC001360755184 1065808164 /nfs/dbraw/zinc/80/81/64/1065808164.db2.gz AIRBRYUFEOAVEK-INIZCTEOSA-N 0 0 493.990 4.724 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439275428 1065809403 /nfs/dbraw/zinc/80/94/03/1065809403.db2.gz UNFRYFAXRSNWJY-UKRRQHHQSA-N 0 0 459.812 4.654 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001360755652 1065809504 /nfs/dbraw/zinc/80/95/04/1065809504.db2.gz HHCLFYKXDYJICN-ZWKOTPCHSA-N 0 0 485.032 4.585 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H]1CCCCC1(F)F ZINC001360755625 1065809540 /nfs/dbraw/zinc/80/95/40/1065809540.db2.gz GXAICIYTEZYXEO-DMPWYTOCSA-N 0 0 481.975 4.599 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439275952 1065810271 /nfs/dbraw/zinc/81/02/71/1065810271.db2.gz ZGYILYQPLTTZCU-NVXWUHKLSA-N 0 0 466.504 4.514 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439276993 1065810451 /nfs/dbraw/zinc/81/04/51/1065810451.db2.gz YXYDOEGUCRXGCQ-LZLYRXPVSA-N 0 0 458.521 4.773 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCNC(=O)OC(C)(C)C ZINC001360755788 1065810811 /nfs/dbraw/zinc/81/08/11/1065810811.db2.gz JHDWWJLEEFDEQU-ZYSHUDEJSA-N 0 0 476.021 4.688 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360755812 1065810893 /nfs/dbraw/zinc/81/08/93/1065810893.db2.gz JPRYDQPLBRUMBI-ZWOKBUDYSA-N 0 0 474.049 4.859 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)NC(C)(C)c2ccc(F)cc2)c2ccccc2)cc1 ZINC001439281115 1065810833 /nfs/dbraw/zinc/81/08/33/1065810833.db2.gz QWRFTVHAOAKHDG-UHFFFAOYSA-N 0 0 454.567 4.771 20 0 JJADRN Cc1ccc(CN(CCCC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001439280576 1065811177 /nfs/dbraw/zinc/81/11/77/1065811177.db2.gz SHUPDNRQQODBEB-UHFFFAOYSA-N 0 0 452.592 4.883 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCNC(=O)OC(C)(C)C ZINC001360755786 1065811135 /nfs/dbraw/zinc/81/11/35/1065811135.db2.gz JHDWWJLEEFDEQU-LZQZEXGQSA-N 0 0 476.021 4.688 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCC(=O)N1CCCCC1 ZINC001360755849 1065811576 /nfs/dbraw/zinc/81/15/76/1065811576.db2.gz KDBSXJYLDVHVCD-QRVBRYPASA-N 0 0 460.022 4.709 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CCCSC1 ZINC001360756083 1065812876 /nfs/dbraw/zinc/81/28/76/1065812876.db2.gz OEPWQBLWUPMGFU-ROUUACIJSA-N 0 0 473.046 4.684 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)CC2 ZINC001439307479 1065813116 /nfs/dbraw/zinc/81/31/16/1065813116.db2.gz QKTYTYRMQMXEII-MRXNPFEDSA-N 0 0 454.592 4.607 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(=O)NCc1ccco1 ZINC001360756222 1065813786 /nfs/dbraw/zinc/81/37/86/1065813786.db2.gz QMOKUUCIWHUXCN-ZWKOTPCHSA-N 0 0 486.016 4.853 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001439323257 1065814303 /nfs/dbraw/zinc/81/43/03/1065814303.db2.gz OHCQUZLSZMMTBK-UHFFFAOYSA-N 0 0 456.384 4.600 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 ZINC001439323592 1065814345 /nfs/dbraw/zinc/81/43/45/1065814345.db2.gz SNXBBTLNQHHVJE-YVEFUNNKSA-N 0 0 451.748 4.850 20 0 JJADRN CN(C)Cc1csc(CNC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001439326733 1065815239 /nfs/dbraw/zinc/81/52/39/1065815239.db2.gz NOULQXQOJTYVMS-HXUWFJFHSA-N 0 0 450.391 4.948 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CC3(CCC3)CO2)cc1NC(=O)c1ccc(Br)cc1 ZINC001439329001 1065815317 /nfs/dbraw/zinc/81/53/17/1065815317.db2.gz DJIBWSZFHKLAQI-IBGZPJMESA-N 0 0 457.368 4.699 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2sc3ccccc3c2Br)[C@H]1c1ccc(F)c(F)c1 ZINC001439325220 1065815425 /nfs/dbraw/zinc/81/54/25/1065815425.db2.gz UEJVPKPAZBSZQM-KBXCAEBGSA-N 0 0 465.319 4.644 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001439337352 1065815981 /nfs/dbraw/zinc/81/59/81/1065815981.db2.gz CJQKYFAYYLSEGG-ZFWWWQNUSA-N 0 0 454.411 4.932 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@]1(C)CN(C)C1=O ZINC001360756609 1065816638 /nfs/dbraw/zinc/81/66/38/1065816638.db2.gz WZYVCNQMKOSRIK-ATLLOTDBSA-N 0 0 474.049 4.955 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC001439339019 1065816741 /nfs/dbraw/zinc/81/67/41/1065816741.db2.gz IQGUFTDHKZEPCT-HOCLYGCPSA-N 0 0 450.448 4.547 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)nc1 ZINC001439339951 1065816760 /nfs/dbraw/zinc/81/67/60/1065816760.db2.gz LIGONVZLEPYVSD-SFHVURJKSA-N 0 0 455.555 4.744 20 0 JJADRN Cn1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1ccccc1 ZINC001439339527 1065816829 /nfs/dbraw/zinc/81/68/29/1065816829.db2.gz JFQKBTJEAXENPT-MSOLQXFVSA-N 0 0 451.489 4.610 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1CCCCC1(F)F ZINC001360756661 1065816652 /nfs/dbraw/zinc/81/66/52/1065816652.db2.gz XNWFAGWNTWJBTA-DOTOQJQBSA-N 0 0 481.975 4.599 20 0 JJADRN O=C(N1CCc2ccc(Br)c(F)c2C1)C1(c2cccc(Cl)c2)CCOCC1 ZINC001439344247 1065817127 /nfs/dbraw/zinc/81/71/27/1065817127.db2.gz BJUWIFANVSUQRK-UHFFFAOYSA-N 0 0 452.751 4.875 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1CCCCC1 ZINC001360756778 1065817113 /nfs/dbraw/zinc/81/71/13/1065817113.db2.gz ZHVXSVMIIAROLS-QGZVFWFLSA-N 0 0 481.062 4.665 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2nccs2)n1C[C@H]1CCC=CO1 ZINC001360756671 1065817207 /nfs/dbraw/zinc/81/72/07/1065817207.db2.gz XSUZYBQBNWJANO-QFBILLFUSA-N 0 0 460.003 4.900 20 0 JJADRN Cc1cc(Br)cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1C ZINC001360757193 1065818195 /nfs/dbraw/zinc/81/81/95/1065818195.db2.gz RSXPVGSIYIKQPH-UHFFFAOYSA-N 0 0 451.670 4.942 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1OCc1ccc(Cl)cc1 ZINC001439355634 1065819385 /nfs/dbraw/zinc/81/93/85/1065819385.db2.gz MCHQKEJQASDNMR-OXQOHEQNSA-N 0 0 474.985 4.913 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1ccn(C)n1 ZINC001360757636 1065819948 /nfs/dbraw/zinc/81/99/48/1065819948.db2.gz FLBGTDVIUBELEJ-HOTGVXAUSA-N 0 0 464.948 4.529 20 0 JJADRN O=C(Nc1cc(Br)c2ccccc2c1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001439360397 1065820794 /nfs/dbraw/zinc/82/07/94/1065820794.db2.gz QBYMODAAGPGOGS-UHFFFAOYSA-N 0 0 454.299 4.859 20 0 JJADRN Cc1cc(F)cc(-n2cc(C(=O)N3CCC[C@@]3(C)Cc3cccc(Br)c3)nn2)c1 ZINC001439363466 1065821245 /nfs/dbraw/zinc/82/12/45/1065821245.db2.gz ZIDAHWBYSGBAPN-QFIPXVFZSA-N 0 0 457.347 4.715 20 0 JJADRN C[C@@]1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCOC2(CCC2)C1 ZINC001439374940 1065821356 /nfs/dbraw/zinc/82/13/56/1065821356.db2.gz KZGOSXJIKRCWOF-HTAPYJJXSA-N 0 0 453.410 4.701 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001360757922 1065821531 /nfs/dbraw/zinc/82/15/31/1065821531.db2.gz KBSFMAJIXMBFOH-QHAWAJNXSA-N 0 0 476.065 4.665 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001360757919 1065821591 /nfs/dbraw/zinc/82/15/91/1065821591.db2.gz KBSFMAJIXMBFOH-ACRUOGEOSA-N 0 0 476.065 4.665 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1nc(Br)c2ccccn21 ZINC001439388353 1065822359 /nfs/dbraw/zinc/82/23/59/1065822359.db2.gz HHPOOOWEVBGXPA-UHFFFAOYSA-N 0 0 456.321 4.864 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360758083 1065822234 /nfs/dbraw/zinc/82/22/34/1065822234.db2.gz MLIHMNUHKJMCGM-XLIONFOSSA-N 0 0 489.064 4.938 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)n2)C1 ZINC001360758107 1065822879 /nfs/dbraw/zinc/82/28/79/1065822879.db2.gz MQIBULJYHSQHTR-RBUKOAKNSA-N 0 0 472.037 4.705 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)CCC1 ZINC001439391379 1065822939 /nfs/dbraw/zinc/82/29/39/1065822939.db2.gz KZXSBLGQMQEVQM-INIZCTEOSA-N 0 0 450.373 4.824 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001439393791 1065823342 /nfs/dbraw/zinc/82/33/42/1065823342.db2.gz WFGNJDOREBONDR-SANMLTNESA-N 0 0 452.551 4.553 20 0 JJADRN CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001439392219 1065823481 /nfs/dbraw/zinc/82/34/81/1065823481.db2.gz SZLVZHGAWKHNOK-OAHLLOKOSA-N 0 0 456.391 4.959 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3oncc3C2)n1CCSCC(F)(F)F ZINC001360758298 1065824081 /nfs/dbraw/zinc/82/40/81/1065824081.db2.gz PZXQYJWGMHEUMZ-ZDUSSCGKSA-N 0 0 487.935 4.918 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC(C)(C)C1CC1 ZINC001360758354 1065824109 /nfs/dbraw/zinc/82/41/09/1065824109.db2.gz QWPKRZODYGNAFW-UZLBHIALSA-N 0 0 481.062 4.521 20 0 JJADRN O=C(c1cccc(OCc2cscn2)c1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001439400676 1065824301 /nfs/dbraw/zinc/82/43/01/1065824301.db2.gz OKJHZEFKSKKMCN-SFHVURJKSA-N 0 0 459.369 4.642 20 0 JJADRN CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001439414756 1065825047 /nfs/dbraw/zinc/82/50/47/1065825047.db2.gz DJGGVMBVCLXSFJ-WJOKGBTCSA-N 0 0 456.486 4.759 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001360758375 1065824850 /nfs/dbraw/zinc/82/48/50/1065824850.db2.gz RAHBRYWNAYMXKW-BBWFWOEESA-N 0 0 499.965 4.767 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001360758376 1065824915 /nfs/dbraw/zinc/82/49/15/1065824915.db2.gz RAHBRYWNAYMXKW-GVDBMIGSSA-N 0 0 499.965 4.767 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC(=O)N(C)C ZINC001360758508 1065824988 /nfs/dbraw/zinc/82/49/88/1065824988.db2.gz SZGMBXNUQPDGTK-QFBILLFUSA-N 0 0 474.030 4.953 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 ZINC001439419147 1065825491 /nfs/dbraw/zinc/82/54/91/1065825491.db2.gz HSMGYYUIHDJIBQ-GDLZYMKVSA-N 0 0 450.969 4.990 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC001360758633 1065825861 /nfs/dbraw/zinc/82/58/61/1065825861.db2.gz DTVMAUUAVCDGKN-UHFFFAOYSA-N 0 0 458.400 4.612 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001360758654 1065825900 /nfs/dbraw/zinc/82/59/00/1065825900.db2.gz UMVLTGDQDGRISU-INIZCTEOSA-N 0 0 481.975 4.708 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360758803 1065826294 /nfs/dbraw/zinc/82/62/94/1065826294.db2.gz VDDFZKRUCPRXOR-RIVXBTQJSA-N 0 0 479.984 4.705 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N=[S@@]1(=O)CCc2ccccc21 ZINC001439424978 1065826302 /nfs/dbraw/zinc/82/63/02/1065826302.db2.gz NWMKTMVRMLBIEO-RUZDIDTESA-N 0 0 453.408 4.786 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[C@H]1C ZINC001360758816 1065826412 /nfs/dbraw/zinc/82/64/12/1065826412.db2.gz VHITWTRYXFNCTN-RMJJICAUSA-N 0 0 474.049 4.859 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001439431438 1065827194 /nfs/dbraw/zinc/82/71/94/1065827194.db2.gz UZEMLCLCKGEJGX-INIZCTEOSA-N 0 0 450.292 4.740 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)cc(C(F)(F)F)c1 ZINC001439433330 1065827579 /nfs/dbraw/zinc/82/75/79/1065827579.db2.gz AFMKOIWLOJXHLO-UHFFFAOYSA-N 0 0 459.399 4.990 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N=[S@](C)(=O)c3ccccc3Br)s2)cc1 ZINC001439434688 1065827691 /nfs/dbraw/zinc/82/76/91/1065827691.db2.gz JNAGDOKXYBOVNN-AREMUKBSSA-N 0 0 451.367 4.878 20 0 JJADRN C[S@](=O)(=NC(=O)c1cc(Br)c(F)cc1F)c1cccc(Br)c1 ZINC001439436769 1065828308 /nfs/dbraw/zinc/82/83/08/1065828308.db2.gz OWEMDQYWEXTHIO-JOCHJYFZSA-N 0 0 453.102 4.787 20 0 JJADRN Cc1ccnc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C(=O)c1ccccc1F ZINC001439434955 1065828504 /nfs/dbraw/zinc/82/85/04/1065828504.db2.gz JYPHHUMQNXCGJM-UHFFFAOYSA-N 0 0 456.399 4.767 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CCCSC1 ZINC001360759918 1065829999 /nfs/dbraw/zinc/82/99/99/1065829999.db2.gz DRRZAYGHCRPDGR-DLBZAZTESA-N 0 0 486.032 4.602 20 0 JJADRN COC(=O)c1c(F)ccc(F)c1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC001439459196 1065831043 /nfs/dbraw/zinc/83/10/43/1065831043.db2.gz XRJLUIJNIRUNDH-UHFFFAOYSA-N 0 0 451.429 4.539 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc2cc(Br)cnc2n1 ZINC001439459905 1065831117 /nfs/dbraw/zinc/83/11/17/1065831117.db2.gz VPLZHLIDEOUPNC-UHFFFAOYSA-N 0 0 455.337 4.609 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360760070 1065831348 /nfs/dbraw/zinc/83/13/48/1065831348.db2.gz HEJQGTQBIIQVOI-KOAQGZTJSA-N 0 0 463.022 4.626 20 0 JJADRN Cc1cc(F)ccc1[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001439461393 1065831925 /nfs/dbraw/zinc/83/19/25/1065831925.db2.gz UIDIRQKIUREMTQ-SFHVURJKSA-N 0 0 453.535 4.799 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(Br)ccc1C1=NCCO1 ZINC001439493426 1065833980 /nfs/dbraw/zinc/83/39/80/1065833980.db2.gz QBXMQVFZLOPBDW-UHFFFAOYSA-N 0 0 459.731 4.532 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 ZINC001439498152 1065834754 /nfs/dbraw/zinc/83/47/54/1065834754.db2.gz IFXGCMGAZMBJST-HRAATJIYSA-N 0 0 452.526 4.616 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@](C)(O)c1ccco1 ZINC001360760948 1065835320 /nfs/dbraw/zinc/83/53/20/1065835320.db2.gz VSAGGWMXMNDJLT-OBWXTZQISA-N 0 0 474.989 4.576 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)ccc1OCc1cscn1 ZINC001439503386 1065835552 /nfs/dbraw/zinc/83/55/52/1065835552.db2.gz NPUJIPXXDBDNKQ-UHFFFAOYSA-N 0 0 457.939 4.985 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001439505014 1065836024 /nfs/dbraw/zinc/83/60/24/1065836024.db2.gz UKVHYXVPDVZSBF-DNVCBOLYSA-N 0 0 458.505 4.561 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(I)c(C)c3C)cc2)n1 ZINC001439505211 1065836145 /nfs/dbraw/zinc/83/61/45/1065836145.db2.gz GGNBAAWYSGTJEJ-UHFFFAOYSA-N 0 0 459.331 4.892 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccnc1SCc1cccc(Br)c1 ZINC001439506585 1065836822 /nfs/dbraw/zinc/83/68/22/1065836822.db2.gz CDSLEABNOLKWBC-UHFFFAOYSA-N 0 0 456.325 4.767 20 0 JJADRN O=C(COc1ccc(F)cc1F)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001439508103 1065836889 /nfs/dbraw/zinc/83/68/89/1065836889.db2.gz KYNHCVDHIWHJSN-UHFFFAOYSA-N 0 0 457.136 4.606 20 0 JJADRN Cc1c(I)ccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)c1C ZINC001439507645 1065837015 /nfs/dbraw/zinc/83/70/15/1065837015.db2.gz ORTANLRZWMWQFJ-KRWDZBQOSA-N 0 0 457.352 4.995 20 0 JJADRN Cc1c(C)c(NC(=O)Cn2nc(C(F)F)cc2C(F)F)ccc1I ZINC001439509877 1065837045 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FVEFAKXJPHYRGY-SJORKVTESA-N 0 0 483.569 4.839 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)CCS1 ZINC001360762498 1065839262 /nfs/dbraw/zinc/83/92/62/1065839262.db2.gz GMDIBXGKFGSCRG-GHTZIAJQSA-N 0 0 495.089 4.581 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360762520 1065839577 /nfs/dbraw/zinc/83/95/77/1065839577.db2.gz GULYQPDFPLPETQ-SJLPKXTDSA-N 0 0 489.617 4.850 20 0 JJADRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001439547188 1065839626 /nfs/dbraw/zinc/83/96/26/1065839626.db2.gz LEMPIYYKJHYDCP-OAHLLOKOSA-N 0 0 458.402 4.942 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1Cc1cccc(Br)n1 ZINC001360762597 1065839950 /nfs/dbraw/zinc/83/99/50/1065839950.db2.gz IKIXUQKISDZZAQ-ZDUSSCGKSA-N 0 0 488.777 4.754 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2ccn(C)n2)n1Cc1cccc(Br)n1 ZINC001360762596 1065840145 /nfs/dbraw/zinc/84/01/45/1065840145.db2.gz IKIXUQKISDZZAQ-CYBMUJFWSA-N 0 0 488.777 4.754 20 0 JJADRN CO[C@H](C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC001439551752 1065840307 /nfs/dbraw/zinc/84/03/07/1065840307.db2.gz GCBKKBGBZKTKIM-HOTGVXAUSA-N 0 0 458.349 4.536 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccc(Br)n1 ZINC001360762752 1065840657 /nfs/dbraw/zinc/84/06/57/1065840657.db2.gz KZMPDLIYZOVBAH-GDBMZVCRSA-N 0 0 492.418 4.705 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@@]1(O)CCCC1(C)C ZINC001360762740 1065840827 /nfs/dbraw/zinc/84/08/27/1065840827.db2.gz KWPULQSULULTNK-AOMKIAJQSA-N 0 0 451.036 4.566 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@H]1CCCOC1 ZINC001360762761 1065840870 /nfs/dbraw/zinc/84/08/70/1065840870.db2.gz LALIDYNDYZODOJ-IAGOWNOFSA-N 0 0 451.036 4.830 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 ZINC001439554782 1065841076 /nfs/dbraw/zinc/84/10/76/1065841076.db2.gz OOLZMMFDMGUJOC-OAQYLSRUSA-N 0 0 458.530 4.914 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@@H]2C)n1CCCOCC(F)F ZINC001360762921 1065841310 /nfs/dbraw/zinc/84/13/10/1065841310.db2.gz NDDQZJNDVGRJEZ-LSDHHAIUSA-N 0 0 460.978 4.685 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3sc(C)nc3c2)c1Cl ZINC001439563490 1065842005 /nfs/dbraw/zinc/84/20/05/1065842005.db2.gz UIIRJSABUPXPLG-UHFFFAOYSA-N 0 0 459.376 4.584 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1(O)CCCC1 ZINC001360763124 1065842853 /nfs/dbraw/zinc/84/28/53/1065842853.db2.gz QSHGBKIIBZEASM-ULQDDVLXSA-N 0 0 451.036 4.707 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccc(Br)c(Cl)c1 ZINC001439581404 1065843214 /nfs/dbraw/zinc/84/32/14/1065843214.db2.gz YDBNSXNNKCIUDE-FRQCXROJSA-N 0 0 450.760 4.935 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccc(Br)c(Cl)c1 ZINC001439581402 1065843372 /nfs/dbraw/zinc/84/33/72/1065843372.db2.gz YDBNSXNNKCIUDE-FCEWJHQRSA-N 0 0 450.760 4.935 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@]1(C)CCCS1 ZINC001360763635 1065843995 /nfs/dbraw/zinc/84/39/95/1065843995.db2.gz ZNXJOMOZQWUDHG-GDVTWYKTSA-N 0 0 451.036 4.564 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@]1(C)CCCS1 ZINC001360763636 1065844025 /nfs/dbraw/zinc/84/40/25/1065844025.db2.gz ZNXJOMOZQWUDHG-JWKLYUKHSA-N 0 0 451.036 4.564 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@]1(C)CCCS1 ZINC001360763637 1065844033 /nfs/dbraw/zinc/84/40/33/1065844033.db2.gz ZNXJOMOZQWUDHG-VFIVLBOOSA-N 0 0 451.036 4.564 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3sccc3S(C)(=O)=O)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001360763682 1065844069 /nfs/dbraw/zinc/84/40/69/1065844069.db2.gz ARARXOAGXRNDRS-UHFFFAOYSA-N 0 0 458.565 4.606 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCOC[C@@H]1CCCO1 ZINC001360763595 1065844152 /nfs/dbraw/zinc/84/41/52/1065844152.db2.gz ZBCIOATXXWRPAQ-VWNVYAMZSA-N 0 0 495.089 4.987 20 0 JJADRN CN1c2cc(NC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)ccc2OCC(C)(C)C1=O ZINC001439585338 1065844463 /nfs/dbraw/zinc/84/44/63/1065844463.db2.gz FTQKZEJERHRLRC-UHFFFAOYSA-N 0 0 458.440 4.525 20 0 JJADRN CN(C)c1cc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC001439585861 1065844811 /nfs/dbraw/zinc/84/48/11/1065844811.db2.gz MEFITLPAFOCHJY-UHFFFAOYSA-N 0 0 455.285 4.734 20 0 JJADRN C/C(=C\c1ccco1)C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439590031 1065845299 /nfs/dbraw/zinc/84/52/99/1065845299.db2.gz DHIIEYWVQJKMHO-CWJMTQFSSA-N 0 0 452.551 4.839 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccon2)cc1 ZINC001439587539 1065845316 /nfs/dbraw/zinc/84/53/16/1065845316.db2.gz GUCVKQXLVMLHCQ-HTAPYJJXSA-N 0 0 451.523 4.779 20 0 JJADRN O=C(NCc1noc2c1COCC2)c1ccccc1SCc1ccc(Br)cc1 ZINC001439589603 1065845365 /nfs/dbraw/zinc/84/53/65/1065845365.db2.gz WDTLLSCHQXGVCK-UHFFFAOYSA-N 0 0 459.365 4.732 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CCSC1 ZINC001360764515 1065845649 /nfs/dbraw/zinc/84/56/49/1065845649.db2.gz BDWZPMIZDIBIGV-HUUCEWRRSA-N 0 0 498.550 4.699 20 0 JJADRN Cc1c(F)cccc1C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439591157 1065846098 /nfs/dbraw/zinc/84/60/98/1065846098.db2.gz KFHHWDQVBMWLEL-OALUTQOASA-N 0 0 454.542 4.904 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc2ccccc21 ZINC001439593650 1065846338 /nfs/dbraw/zinc/84/63/38/1065846338.db2.gz AOMRPXNOSLRNLC-KRWDZBQOSA-N 0 0 454.473 4.941 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H]1CCOC1 ZINC001360764954 1065846889 /nfs/dbraw/zinc/84/68/89/1065846889.db2.gz IFAURPOTDRZRRK-UONOGXRCSA-N 0 0 485.507 4.705 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCc1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC001439607544 1065847763 /nfs/dbraw/zinc/84/77/63/1065847763.db2.gz ADGISNCADDZCEY-UHFFFAOYSA-N 0 0 452.176 4.772 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@H](C)Oc1ccccc1Br)CC2 ZINC001439614026 1065848204 /nfs/dbraw/zinc/84/82/04/1065848204.db2.gz PFCWLYLPPDGQTN-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1C(F)F)N1CCc2cc(F)c(Br)cc2C1 ZINC001439625120 1065849067 /nfs/dbraw/zinc/84/90/67/1065849067.db2.gz KPMQMMVTWFILBN-UHFFFAOYSA-N 0 0 450.258 4.910 20 0 JJADRN CCCN(C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@@H](C)C(=O)OC ZINC001439627337 1065849683 /nfs/dbraw/zinc/84/96/83/1065849683.db2.gz LKTDBBSXYSCMMZ-INIZCTEOSA-N 0 0 459.999 4.630 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360765390 1065849739 /nfs/dbraw/zinc/84/97/39/1065849739.db2.gz QGUZYXYGEVWYPL-MOPGFXCFSA-N 0 0 478.634 4.563 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC2 ZINC001439628120 1065849900 /nfs/dbraw/zinc/84/99/00/1065849900.db2.gz PLKNOCYZAVQYEL-LJQANCHMSA-N 0 0 453.421 4.972 20 0 JJADRN O=C(CCc1cccc(OC(F)F)c1)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001439635830 1065850313 /nfs/dbraw/zinc/85/03/13/1065850313.db2.gz CTPDCFUGDWQLJA-UHFFFAOYSA-N 0 0 458.427 4.710 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c1 ZINC001439640260 1065851780 /nfs/dbraw/zinc/85/17/80/1065851780.db2.gz XQFKVJKMMWUMMY-KRWDZBQOSA-N 0 0 450.501 4.754 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)NCc3ccc(Br)c(Br)c3)c2)o1 ZINC001439641939 1065852323 /nfs/dbraw/zinc/85/23/23/1065852323.db2.gz QRTPVJRBYFXVNA-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC001439641521 1065852371 /nfs/dbraw/zinc/85/23/71/1065852371.db2.gz AKFBZCKFXVZYBX-VWLOTQADSA-N 0 0 459.521 4.880 20 0 JJADRN Cc1c(Br)cc(C(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)c(=O)n1C ZINC001360766139 1065852606 /nfs/dbraw/zinc/85/26/06/1065852606.db2.gz HYJLWMXTSAKAPK-QGZVFWFLSA-N 0 0 459.365 4.814 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(F)(F)C2)CC1 ZINC001360766773 1065854042 /nfs/dbraw/zinc/85/40/42/1065854042.db2.gz CMWGMKPJRVTRBW-QGZVFWFLSA-N 0 0 493.574 4.686 20 0 JJADRN C[S@](=O)(=NC(=O)c1cnn(Cc2ccccc2)c1Br)c1cccc(Cl)c1 ZINC001439671651 1065854336 /nfs/dbraw/zinc/85/43/36/1065854336.db2.gz HSUVOCFWWLPDQK-AREMUKBSSA-N 0 0 452.761 4.644 20 0 JJADRN C[S@@](=O)(=NC(=O)c1cnn(Cc2ccccc2)c1Br)c1cccc(Cl)c1 ZINC001439671652 1065854462 /nfs/dbraw/zinc/85/44/62/1065854462.db2.gz HSUVOCFWWLPDQK-SANMLTNESA-N 0 0 452.761 4.644 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N(C)C ZINC001360766875 1065854726 /nfs/dbraw/zinc/85/47/26/1065854726.db2.gz FKTFPKAJRVGNKF-QGZVFWFLSA-N 0 0 459.591 4.512 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccoc1 ZINC001360766985 1065855396 /nfs/dbraw/zinc/85/53/96/1065855396.db2.gz HNRNXVVDTRXZHD-CQSZACIVSA-N 0 0 466.435 4.546 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCCC(F)(F)F ZINC001360767193 1065855492 /nfs/dbraw/zinc/85/54/92/1065855492.db2.gz LDKHZAAUILLWJL-JKSUJKDBSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001439677815 1065855906 /nfs/dbraw/zinc/85/59/06/1065855906.db2.gz IHHQZKBWURCBIE-YDIMBITNSA-N 0 0 450.579 4.971 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCCC(C)(C)C ZINC001360767323 1065856062 /nfs/dbraw/zinc/85/60/62/1065856062.db2.gz NRBOQBJYLGNZPQ-IHPCNDPISA-N 0 0 457.594 4.631 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1CCc1ccc(Cl)s1 ZINC001360767428 1065856836 /nfs/dbraw/zinc/85/68/36/1065856836.db2.gz PETIKGFZBIYKJL-INIZCTEOSA-N 0 0 487.004 4.984 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360767557 1065856873 /nfs/dbraw/zinc/85/68/73/1065856873.db2.gz QTMFFPHFPOKFGH-YCRPNKLZSA-N 0 0 456.484 4.663 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(Cl)ccc1I ZINC001439684508 1065857118 /nfs/dbraw/zinc/85/71/18/1065857118.db2.gz VIOSVESRONLUKT-FHSNZYRGSA-N 0 0 455.723 4.935 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001439685616 1065857253 /nfs/dbraw/zinc/85/72/53/1065857253.db2.gz WRWSFCUFTHMPAD-JLHGSKIFSA-N 0 0 454.368 4.685 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360767720 1065857380 /nfs/dbraw/zinc/85/73/80/1065857380.db2.gz UAXNMIQOSFWPMF-ULQDDVLXSA-N 0 0 497.562 4.809 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 ZINC001360767948 1065857416 /nfs/dbraw/zinc/85/74/16/1065857416.db2.gz WCSUIHPWCLKIPR-MOPGFXCFSA-N 0 0 470.593 4.583 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001439690177 1065858118 /nfs/dbraw/zinc/85/81/18/1065858118.db2.gz CXVLMKAVCALXER-IBVKSMDESA-N 0 0 458.599 4.860 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360768157 1065858220 /nfs/dbraw/zinc/85/82/20/1065858220.db2.gz YFZKPLIFSFOSDT-RBUKOAKNSA-N 0 0 492.661 4.787 20 0 JJADRN O=C([C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001439696294 1065859488 /nfs/dbraw/zinc/85/94/88/1065859488.db2.gz ZWVWFJXHDDPUQG-DNQXCXABSA-N 0 0 453.991 4.860 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001439696367 1065859521 /nfs/dbraw/zinc/85/95/21/1065859521.db2.gz RWQFITZVOOYFGT-QKKBWIMNSA-N 0 0 458.477 4.503 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c(C)c1Br ZINC001439696334 1065859528 /nfs/dbraw/zinc/85/95/28/1065859528.db2.gz RQUOLXZLYITYKO-AOMKIAJQSA-N 0 0 451.405 4.975 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001360769049 1065859779 /nfs/dbraw/zinc/85/97/79/1065859779.db2.gz CNMXXFNIFGEIDD-UXHICEINSA-N 0 0 471.621 4.688 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)ccc1OC1CCCC1 ZINC001439697149 1065860055 /nfs/dbraw/zinc/86/00/55/1065860055.db2.gz VKZGDPJQCPJAJO-AFMDSPMNSA-N 0 0 458.599 4.926 20 0 JJADRN CN(C(=O)Cc1coc2ccc3ccccc3c12)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001439697988 1065860137 /nfs/dbraw/zinc/86/01/37/1065860137.db2.gz ZDLQPAVSSJSBRV-UHFFFAOYSA-N 0 0 452.551 4.661 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 ZINC001360769340 1065860904 /nfs/dbraw/zinc/86/09/04/1065860904.db2.gz HPJGZHPEFMIJTQ-CVCYQNGTSA-N 0 0 462.635 4.731 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001360769343 1065860922 /nfs/dbraw/zinc/86/09/22/1065860922.db2.gz HPJGZHPEFMIJTQ-ZUQCGGBESA-N 0 0 462.635 4.731 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)Cc2ccc([Si](C)(C)C)cc2)CCC1 ZINC001439702685 1065861124 /nfs/dbraw/zinc/86/11/24/1065861124.db2.gz JXKHVBMCENPBSA-JOCHJYFZSA-N 0 0 458.719 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C(C)(C)C1 ZINC001439702811 1065861378 /nfs/dbraw/zinc/86/13/78/1065861378.db2.gz QXDQQPUZWJIYGW-KRWDZBQOSA-N 0 0 453.370 4.554 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)Cc2ccc([Si](C)(C)C)cc2)CCC1 ZINC001439702689 1065861412 /nfs/dbraw/zinc/86/14/12/1065861412.db2.gz JXKHVBMCENPBSA-QFIPXVFZSA-N 0 0 458.719 4.850 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360769436 1065862044 /nfs/dbraw/zinc/86/20/44/1065862044.db2.gz ISNMKNUZZYBRMJ-FHWLQOOXSA-N 0 0 487.620 4.906 20 0 JJADRN COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)ccc1C(F)(F)F ZINC001439706761 1065862617 /nfs/dbraw/zinc/86/26/17/1065862617.db2.gz TYEXEPOAPBRTPO-IEBWSBKVSA-N 0 0 450.457 4.635 20 0 JJADRN Cc1cccc(C)c1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001439710792 1065863876 /nfs/dbraw/zinc/86/38/76/1065863876.db2.gz XEDMNXROYRLVCU-LJQANCHMSA-N 0 0 457.412 4.885 20 0 JJADRN Cc1cccc(C)c1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001439710789 1065863952 /nfs/dbraw/zinc/86/39/52/1065863952.db2.gz XEDMNXROYRLVCU-IBGZPJMESA-N 0 0 457.412 4.885 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2CC2)CC1 ZINC001360769956 1065864198 /nfs/dbraw/zinc/86/41/98/1065864198.db2.gz QOLOQEUWOHVOLM-MOPGFXCFSA-N 0 0 471.621 4.734 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2OC)[C@H]1c1ccccc1OC ZINC001439728404 1065864513 /nfs/dbraw/zinc/86/45/13/1065864513.db2.gz WHPGIHHXBBVNIQ-AUSIDOKSSA-N 0 0 458.986 4.753 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C ZINC001360770038 1065864776 /nfs/dbraw/zinc/86/47/76/1065864776.db2.gz RVCZGHXHFHVGBG-AJYBTWMASA-N 0 0 473.593 4.831 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001439731007 1065865072 /nfs/dbraw/zinc/86/50/72/1065865072.db2.gz KKXUMFRNENSJCS-KRWDZBQOSA-N 0 0 450.645 4.965 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001439732092 1065865810 /nfs/dbraw/zinc/86/58/10/1065865810.db2.gz JJDQSRSXLSXVMO-WWOZWPLTSA-N 0 0 450.988 4.849 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC001439731574 1065865851 /nfs/dbraw/zinc/86/58/51/1065865851.db2.gz DJHHWNPBPVURSL-APWZRJJASA-N 0 0 457.396 4.962 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439732444 1065866698 /nfs/dbraw/zinc/86/66/98/1065866698.db2.gz FQQQQFXADPBBAE-FOIQADDNSA-N 0 0 452.904 4.958 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CCCO1 ZINC001360770365 1065866826 /nfs/dbraw/zinc/86/68/26/1065866826.db2.gz XRGWDXFJYRLVCX-NVXWUHKLSA-N 0 0 456.484 4.905 20 0 JJADRN CC[S@@](=O)(=NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1cccc(Cl)c1 ZINC001439734918 1065867135 /nfs/dbraw/zinc/86/71/35/1065867135.db2.gz RPMATDKXHAINAF-SANMLTNESA-N 0 0 452.761 4.975 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CCC=CO1 ZINC001360770590 1065867549 /nfs/dbraw/zinc/86/75/49/1065867549.db2.gz ZJXPPIOFCLXYMR-XAEMIUIASA-N 0 0 498.521 4.780 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)cc1F ZINC001439737965 1065867854 /nfs/dbraw/zinc/86/78/54/1065867854.db2.gz SNQZEIAVARJZGW-KRWDZBQOSA-N 0 0 456.514 4.809 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001439735719 1065868038 /nfs/dbraw/zinc/86/80/38/1065868038.db2.gz XMQAGZZEWKYNLU-IRXDYDNUSA-N 0 0 450.542 4.666 20 0 JJADRN C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC001360771347 1065868218 /nfs/dbraw/zinc/86/82/18/1065868218.db2.gz ABULQYJRZKLSPI-IAGOWNOFSA-N 0 0 461.582 4.849 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2CCOc3c(F)cccc32)[C@H]1c1ccc(OC)cc1 ZINC001439741703 1065868844 /nfs/dbraw/zinc/86/88/44/1065868844.db2.gz MBLUDKFAVKNXQT-KIFXHHALSA-N 0 0 454.542 4.554 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001360771696 1065868924 /nfs/dbraw/zinc/86/89/24/1065868924.db2.gz BZNHFIUGOQDGJI-OALUTQOASA-N 0 0 489.636 4.503 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)C(F)(F)F ZINC001360771849 1065868969 /nfs/dbraw/zinc/86/89/69/1065868969.db2.gz CTARHZFAVJGXLK-BTYIYWSLSA-N 0 0 456.484 4.763 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCSC1 ZINC001360771855 1065869457 /nfs/dbraw/zinc/86/94/57/1065869457.db2.gz DBKDXBYNZWTXOS-CVEARBPZSA-N 0 0 488.551 4.594 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1Cc1ccsc1Br ZINC001360772944 1065870282 /nfs/dbraw/zinc/87/02/82/1065870282.db2.gz FJMXYLJIFIURKN-CQSZACIVSA-N 0 0 481.391 4.656 20 0 JJADRN Cc1ccc([S@@](C)(=O)=NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001439750967 1065870855 /nfs/dbraw/zinc/87/08/55/1065870855.db2.gz XEXKKVRZDRSBNP-GDLZYMKVSA-N 0 0 459.614 4.847 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)N3CCC[C@H]3Cc3ccc(Br)cc3)CC2=O)c1C ZINC001439750323 1065871000 /nfs/dbraw/zinc/87/10/00/1065871000.db2.gz RIWMSRYSRTWLID-CTNGQTDRSA-N 0 0 455.396 4.653 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC(F)(F)F ZINC001360773383 1065871534 /nfs/dbraw/zinc/87/15/34/1065871534.db2.gz LKAWWDRWDHNUMK-CQSZACIVSA-N 0 0 487.498 4.613 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCOC(C)(C)C ZINC001360773511 1065871547 /nfs/dbraw/zinc/87/15/47/1065871547.db2.gz JFPXRVVPDWQBHW-LJQANCHMSA-N 0 0 487.645 4.756 20 0 JJADRN Cc1cnc2c(cnn2CC(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)c1 ZINC001439758531 1065871816 /nfs/dbraw/zinc/87/18/16/1065871816.db2.gz SDDYBYTYKDCABX-UHFFFAOYSA-N 0 0 450.926 4.880 20 0 JJADRN Cc1ccc(N(CCC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)S(=O)(=O)c2ccccc2)cc1 ZINC001439764138 1065872453 /nfs/dbraw/zinc/87/24/53/1065872453.db2.gz GXNHISKZXXYYLP-LJQANCHMSA-N 0 0 450.560 4.543 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(COC(C)(C)C)c3)cc2)C1 ZINC001439770812 1065873173 /nfs/dbraw/zinc/87/31/73/1065873173.db2.gz KPDJDKYQVOMMTD-OALUTQOASA-N 0 0 458.624 4.921 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCc3sccc3C2)n1CCNC(=O)OC(C)(C)C ZINC001360774431 1065873200 /nfs/dbraw/zinc/87/32/00/1065873200.db2.gz MWMQLEODFJBRSV-MRXNPFEDSA-N 0 0 487.601 4.706 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCC3(CCC3)O2)c1 ZINC001439776014 1065873572 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QKYNHKGTMOOOFT-VQTJNVASSA-N 0 0 466.605 4.939 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001439785767 1065876404 /nfs/dbraw/zinc/87/64/04/1065876404.db2.gz GSBCVXAFMGOBEF-AVRDEDQJSA-N 0 0 456.608 4.563 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(Cl)s1 ZINC001360775123 1065876789 /nfs/dbraw/zinc/87/67/89/1065876789.db2.gz XXUJMGWSDDBHAY-AWEZNQCLSA-N 0 0 485.963 4.708 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC(C)(C)C2)n1CCCOC1CCOCC1 ZINC001360775203 1065876875 /nfs/dbraw/zinc/87/68/75/1065876875.db2.gz QYOYGYZCWGEFQX-IBGZPJMESA-N 0 0 460.594 4.769 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCNC(=O)OC(C)(C)C ZINC001360775350 1065877348 /nfs/dbraw/zinc/87/73/48/1065877348.db2.gz SJBHCOHRCLSVSZ-HZPDHXFCSA-N 0 0 483.535 4.563 20 0 JJADRN Cc1nc(C)c(CC(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)s1 ZINC001439788307 1065877439 /nfs/dbraw/zinc/87/74/39/1065877439.db2.gz KDUABLSDQGQXIO-LJQANCHMSA-N 0 0 454.377 4.531 20 0 JJADRN 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ZINC001360782985 1065893961 /nfs/dbraw/zinc/89/39/61/1065893961.db2.gz ZODHVVUSMRBBES-ZWKOTPCHSA-N 0 0 455.393 4.512 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001439941073 1065894453 /nfs/dbraw/zinc/89/44/53/1065894453.db2.gz WFTCYLAMCKOJLH-GGAORHGYSA-N 0 0 461.562 4.788 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1)c1ccc(C)cc1 ZINC001439947322 1065895230 /nfs/dbraw/zinc/89/52/30/1065895230.db2.gz ABAVOLHIGJQZAN-HNNXBMFYSA-N 0 0 451.470 4.752 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@H](CC(=O)OC)c2ccc(C(F)(F)F)cc2)cc1OC ZINC001439959946 1065897479 /nfs/dbraw/zinc/89/74/79/1065897479.db2.gz IRAKLFSASJJGIA-MRXNPFEDSA-N 0 0 459.848 4.800 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC001439959723 1065897527 /nfs/dbraw/zinc/89/75/27/1065897527.db2.gz HJKAYTFTNWWLJU-QGZVFWFLSA-N 0 0 458.274 4.821 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)OC)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC001439960562 1065897883 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PPBAAFMOTFFUIB-HRAATJIYSA-N 0 0 458.400 4.717 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCSC[C@H]2C)c1 ZINC001439968755 1065899239 /nfs/dbraw/zinc/89/92/39/1065899239.db2.gz ZTCNDUGCQFHZGQ-MRXNPFEDSA-N 0 0 453.029 4.523 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC001360785926 1065899712 /nfs/dbraw/zinc/89/97/12/1065899712.db2.gz IUJOZWQECAXXIU-UHFFFAOYSA-N 0 0 455.530 4.986 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)c(C)c1 ZINC001360786404 1065900409 /nfs/dbraw/zinc/90/04/09/1065900409.db2.gz YMOUDMQMBIIQCN-HNNXBMFYSA-N 0 0 453.341 4.501 20 0 JJADRN Cc1cc(F)ccc1-c1ccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)cc1F ZINC001440003276 1065901883 /nfs/dbraw/zinc/90/18/83/1065901883.db2.gz HBQPGPIQGPZSKL-UHFFFAOYSA-N 0 0 456.514 4.774 20 0 JJADRN O=C(Nc1ccc(Br)cc1OC(F)F)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001440018188 1065903059 /nfs/dbraw/zinc/90/30/59/1065903059.db2.gz MVDIKYBCYJXJSJ-CQSZACIVSA-N 0 0 453.283 4.541 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)CC2)c1C ZINC001440019375 1065903242 /nfs/dbraw/zinc/90/32/42/1065903242.db2.gz KRDCICBQYCLXCL-LJQANCHMSA-N 0 0 453.380 4.735 20 0 JJADRN CN(CCC(=O)Nc1ccc(Br)cc1OC(F)F)C(=O)OCc1ccccc1 ZINC001440022876 1065903708 /nfs/dbraw/zinc/90/37/08/1065903708.db2.gz YPMOVVLYDBFAJA-UHFFFAOYSA-N 0 0 457.271 4.648 20 0 JJADRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc([C@@H]3CCCC(C)(C)C3)c2)C1=O ZINC001440026591 1065903939 /nfs/dbraw/zinc/90/39/39/1065903939.db2.gz DEUFXLJEZJIGNM-DWXRJYCRSA-N 0 0 451.542 4.915 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)CCCc3ccc(C4CC4)cc3)[nH]c2c(Br)c1 ZINC001440027798 1065904053 /nfs/dbraw/zinc/90/40/53/1065904053.db2.gz KBVXUARXSBGPAO-UHFFFAOYSA-N 0 0 456.340 4.951 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1cnnc(-c2ccccc2)c1 ZINC001440023060 1065904153 /nfs/dbraw/zinc/90/41/53/1065904153.db2.gz ZMLXROZJYIYMNM-UHFFFAOYSA-N 0 0 458.562 4.804 20 0 JJADRN CCCN(C(=O)c1nn(-c2ccccc2)c(C)cc1=O)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360789822 1065904572 /nfs/dbraw/zinc/90/45/72/1065904572.db2.gz QQNQSVAYXKVKDM-AREMUKBSSA-N 0 0 456.521 4.717 20 0 JJADRN CCc1cc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2c(n1)onc2C(C)C ZINC001440028642 1065904719 /nfs/dbraw/zinc/90/47/19/1065904719.db2.gz ABEYNDZNJVMPQI-UHFFFAOYSA-N 0 0 456.587 4.818 20 0 JJADRN CCOc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c(C(=O)OC)c1F ZINC001440029103 1065904745 /nfs/dbraw/zinc/90/47/45/1065904745.db2.gz QDGVIDSVOGXGHT-UHFFFAOYSA-N 0 0 458.511 4.536 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1C(F)F ZINC001360790433 1065904994 /nfs/dbraw/zinc/90/49/94/1065904994.db2.gz IAVYPZSLCHSKSM-NSHDSACASA-N 0 0 450.839 4.912 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 ZINC001440031240 1065905235 /nfs/dbraw/zinc/90/52/35/1065905235.db2.gz KDRQFOHLWPYBBX-UHFFFAOYSA-N 0 0 450.583 4.759 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC001440039201 1065905713 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457.481 4.724 20 0 JJADRN C[Si](C)(C)c1ccc(CC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 ZINC001360793838 1065908132 /nfs/dbraw/zinc/90/81/32/1065908132.db2.gz OJVJZTVSNGSFGK-UHFFFAOYSA-N 0 0 453.636 4.609 20 0 JJADRN CC[C@@H]1CN(C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793829 1065908184 /nfs/dbraw/zinc/90/81/84/1065908184.db2.gz OJMHNKNXMQXHHU-ARGAGMQLSA-N 0 0 454.611 4.810 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCc1nc(Cc2ccccc2)no1 ZINC001440064739 1065908373 /nfs/dbraw/zinc/90/83/73/1065908373.db2.gz YYNOOJSXYIYZTL-UHFFFAOYSA-N 0 0 456.424 4.615 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794463 1065908615 /nfs/dbraw/zinc/90/86/15/1065908615.db2.gz WKLFJDJKWZRZDI-BJKOFHAPSA-N 0 0 450.579 4.592 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)/C=C\c1cnc3ccccc3n1)CC2 ZINC001440067897 1065908993 /nfs/dbraw/zinc/90/89/93/1065908993.db2.gz YLFXKIGKVQAWRU-ZXEGGCGDSA-N 0 0 450.583 4.527 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(I)c(Cl)c2)c1 ZINC001360794625 1065909076 /nfs/dbraw/zinc/90/90/76/1065909076.db2.gz YHLGATCFPYKFMA-UHFFFAOYSA-N 0 0 450.059 4.637 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)c1ccc(C(C)(C)C)cc1 ZINC001360795286 1065909608 /nfs/dbraw/zinc/90/96/08/1065909608.db2.gz DJYRORPGBFRKPU-FQEVSTJZSA-N 0 0 455.555 4.760 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC[C@@H]1c1ccc(C)cc1)C2=O ZINC001360799199 1065910609 /nfs/dbraw/zinc/91/06/09/1065910609.db2.gz BODJBDNHEHZUMD-GJKZGALTSA-N 0 0 453.627 4.966 20 0 JJADRN CCn1c(SCC(=O)Nc2noc3c2CCCC3)nnc1-c1ccc(Cl)cc1Cl ZINC001440092266 1065910645 /nfs/dbraw/zinc/91/06/45/1065910645.db2.gz NYXOTJBAELRGAW-UHFFFAOYSA-N 0 0 452.367 4.869 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001360800596 1065911280 /nfs/dbraw/zinc/91/12/80/1065911280.db2.gz HILOIJAFTQRZGU-RVKKMQEKSA-N 0 0 455.393 4.511 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br 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HMFAMHIWGFAVMF-IBGZPJMESA-N 0 0 450.549 4.783 20 0 JJADRN CCCc1sc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)cc1Br ZINC001440146170 1065916504 /nfs/dbraw/zinc/91/65/04/1065916504.db2.gz LBRCRYYLISQWJJ-OAHLLOKOSA-N 0 0 453.402 4.956 20 0 JJADRN O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCc1cccc(OC(F)(F)F)c1 ZINC001440146029 1065916533 /nfs/dbraw/zinc/91/65/33/1065916533.db2.gz XBHUPNKWZBEFTL-UHFFFAOYSA-N 0 0 454.499 4.649 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360805110 1065916943 /nfs/dbraw/zinc/91/69/43/1065916943.db2.gz HZMNQWYUEDCGGX-LSDHHAIUSA-N 0 0 480.476 4.687 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2cc(Br)ccc2Cl)CC[C@@H](C)c2ccccc21 ZINC001440146738 1065917116 /nfs/dbraw/zinc/91/71/16/1065917116.db2.gz LJBDZDFGWCSKPD-ASSNKEHSSA-N 0 0 450.760 4.727 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001440151594 1065917351 /nfs/dbraw/zinc/91/73/51/1065917351.db2.gz XESBEPWXDLSATN-GOSISDBHSA-N 0 0 455.624 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001440151486 1065917490 /nfs/dbraw/zinc/91/74/90/1065917490.db2.gz LCYJWQWQPBAUGA-SZMVWBNQSA-N 0 0 456.505 4.842 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cccc(OCc3csc(C)n3)c2)CC[C@@H](C)c2ccccc21 ZINC001440152388 1065917510 /nfs/dbraw/zinc/91/75/10/1065917510.db2.gz SVSYHJBLGHSESP-PUAOIOHZSA-N 0 0 450.560 4.726 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001360805640 1065918025 /nfs/dbraw/zinc/91/80/25/1065918025.db2.gz VZOZLGYTSSXGGC-OAQYLSRUSA-N 0 0 491.602 4.785 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)c1 ZINC001440154055 1065917855 /nfs/dbraw/zinc/91/78/55/1065917855.db2.gz WLWCWMQVPXULQT-WINIVTDRSA-N 0 0 450.579 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC(C)(C)C3)n2C[C@]2(C)CCCO2)CC1 ZINC001360806856 1065918803 /nfs/dbraw/zinc/91/88/03/1065918803.db2.gz YXCAQRURSZEQOI-VWLOTQADSA-N 0 0 461.651 4.588 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)Cc2ccc3c(c2)CCCO3)c2ccc(OC)cc2)n1 ZINC001360807273 1065919416 /nfs/dbraw/zinc/91/94/16/1065919416.db2.gz GHFHZJNAWXALOZ-UHFFFAOYSA-N 0 0 452.532 4.561 20 0 JJADRN CCn1c(SCC(=O)N2CCCC[C@@]23CCOC3)nnc1-c1ccc(Cl)cc1Cl ZINC001440169772 1065919522 /nfs/dbraw/zinc/91/95/22/1065919522.db2.gz LBIDZIOZJPBGED-FQEVSTJZSA-N 0 0 455.411 4.536 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2 ZINC001440172607 1065920118 /nfs/dbraw/zinc/92/01/18/1065920118.db2.gz QOWBPJYQQZMZIW-MRXNPFEDSA-N 0 0 457.546 4.627 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2 ZINC001440172604 1065920165 /nfs/dbraw/zinc/92/01/65/1065920165.db2.gz QOWBPJYQQZMZIW-INIZCTEOSA-N 0 0 457.546 4.627 20 0 JJADRN CSc1ccc(CCCC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001440175810 1065920899 /nfs/dbraw/zinc/92/08/99/1065920899.db2.gz QJQPNEWMCAMIHQ-GOSISDBHSA-N 0 0 456.612 4.884 20 0 JJADRN CC(C)(C)[C@@H]1CCN(C(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CCO1 ZINC001440178570 1065921376 /nfs/dbraw/zinc/92/13/76/1065921376.db2.gz DPCMHHPMCWLEJX-VWLOTQADSA-N 0 0 451.607 4.977 20 0 JJADRN Cc1cc(F)c(CC(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001440180811 1065922102 /nfs/dbraw/zinc/92/21/02/1065922102.db2.gz KFDZBMPKIPPQJS-UHFFFAOYSA-N 0 0 450.448 4.606 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCCC(C)(C)C3)n2CC2CC(F)(F)C2)C1 ZINC001360808534 1065922115 /nfs/dbraw/zinc/92/21/15/1065922115.db2.gz PCCLRJBOKFDZRL-CALCHBBNSA-N 0 0 453.578 4.721 20 0 JJADRN CC1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360808928 1065922637 /nfs/dbraw/zinc/92/26/37/1065922637.db2.gz XFIZKMOMRZDCTA-UHFFFAOYSA-N 0 0 450.509 4.673 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCSc1ccccc1 ZINC001545928922 1065923101 /nfs/dbraw/zinc/92/31/01/1065923101.db2.gz MEZFPZRQTUBATI-NRFANRHFSA-N 0 0 473.687 4.630 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)c(=O)[nH]1 ZINC001360810254 1065923901 /nfs/dbraw/zinc/92/39/01/1065923901.db2.gz PVKUPXCHQDECKN-UHFFFAOYSA-N 0 0 451.910 4.508 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001440212394 1065924063 /nfs/dbraw/zinc/92/40/63/1065924063.db2.gz SHQDIXGRRDJHKT-INIZCTEOSA-N 0 0 450.440 4.523 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001440212395 1065924162 /nfs/dbraw/zinc/92/41/62/1065924162.db2.gz SHQDIXGRRDJHKT-MRXNPFEDSA-N 0 0 450.440 4.523 20 0 JJADRN CC[C@H](C)[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001440209975 1065924207 /nfs/dbraw/zinc/92/42/07/1065924207.db2.gz DMRXYULJHHEBNJ-JHUWSKFTSA-N 0 0 459.373 4.924 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)nn2C)cc1OC ZINC001440212052 1065924281 /nfs/dbraw/zinc/92/42/81/1065924281.db2.gz RKWVDEVWSIPMSX-WMLDXEAASA-N 0 0 460.361 4.945 20 0 JJADRN O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)C(=O)c1ccc(Cl)s1 ZINC001360810869 1065924244 /nfs/dbraw/zinc/92/42/44/1065924244.db2.gz YODMWBQKIQQQQG-UHFFFAOYSA-N 0 0 455.963 4.985 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N(CCC(=O)OC)c3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001360810781 1065924261 /nfs/dbraw/zinc/92/42/61/1065924261.db2.gz YOFVPWKBINUGTL-NRFANRHFSA-N 0 0 454.325 4.636 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2nn(CC(F)F)c3ccccc23)c1C ZINC001440209788 1065924352 /nfs/dbraw/zinc/92/43/52/1065924352.db2.gz SEHSRCZGJIXLBU-UHFFFAOYSA-N 0 0 455.246 4.775 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)c1)c1ccccc1 ZINC001440217282 1065924615 /nfs/dbraw/zinc/92/46/15/1065924615.db2.gz WWEYVMARQBFPMY-DLBZAZTESA-N 0 0 454.979 4.971 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(OC(F)F)c1 ZINC001360811418 1065924678 /nfs/dbraw/zinc/92/46/78/1065924678.db2.gz RCMXUJBNTACAEQ-UHFFFAOYSA-N 0 0 465.451 4.970 20 0 JJADRN Cc1c(Br)cc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c(=O)n1C ZINC001360811934 1065924758 /nfs/dbraw/zinc/92/47/58/1065924758.db2.gz MIWIKVIUAFCDRH-KRWDZBQOSA-N 0 0 459.306 4.992 20 0 JJADRN CC1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCCn1cc(Br)cn1 ZINC001360812880 1065925826 /nfs/dbraw/zinc/92/58/26/1065925826.db2.gz XHILIZQFSWFKNB-UHFFFAOYSA-N 0 0 487.446 4.718 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)CCc1ccc(S(=O)(=O)N3CCCCC3)cc1)C2 ZINC001440235270 1065925739 /nfs/dbraw/zinc/92/57/39/1065925739.db2.gz NQDDCJYVNZZMNJ-UHFFFAOYSA-N 0 0 454.636 4.502 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1cc(F)ccc1N(C)C ZINC001440252286 1065926180 /nfs/dbraw/zinc/92/61/80/1065926180.db2.gz ISCSUOVUNKDMHV-FTNUDCGFSA-N 0 0 457.977 4.817 20 0 JJADRN C[C@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1N(C)C ZINC001440249320 1065926297 /nfs/dbraw/zinc/92/62/97/1065926297.db2.gz GBQTWSKSUUYGDP-NSHDSACASA-N 0 0 455.843 4.636 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1N(C)C ZINC001440252289 1065926783 /nfs/dbraw/zinc/92/67/83/1065926783.db2.gz ISCSUOVUNKDMHV-PZHKBLDCSA-N 0 0 457.977 4.817 20 0 JJADRN CC1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)COCCO2)CC1 ZINC001360814646 1065927458 /nfs/dbraw/zinc/92/74/58/1065927458.db2.gz ZPZQREOMBDSERS-NRFANRHFSA-N 0 0 483.838 4.793 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(N3CCC(C)(C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001360814469 1065927528 /nfs/dbraw/zinc/92/75/28/1065927528.db2.gz WYYXGFSTZXWENH-LJQANCHMSA-N 0 0 458.672 4.694 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001440279322 1065927477 /nfs/dbraw/zinc/92/74/77/1065927477.db2.gz ZQZOSWHURDKTKM-GCJKJVERSA-N 0 0 467.404 4.898 20 0 JJADRN CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Br)c1I ZINC001360815083 1065927873 /nfs/dbraw/zinc/92/78/73/1065927873.db2.gz QOCICAKRXNKVEU-AWEZNQCLSA-N 0 0 459.125 4.672 20 0 JJADRN CC[C@H](CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)Cc1cccc(Br)c1 ZINC001360815235 1065928440 /nfs/dbraw/zinc/92/84/40/1065928440.db2.gz TZRKXQGDPVVQIE-MHECFPHRSA-N 0 0 457.412 4.829 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H](C)n1cc(Br)cn1)Cc1cccc(Br)c1 ZINC001360815216 1065928485 /nfs/dbraw/zinc/92/84/85/1065928485.db2.gz STEIGHQTFNTJLK-ZIAGYGMSSA-N 0 0 457.210 4.744 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)N3CCCc4cc(NC(=O)OC(C)(C)C)ccc43)c2n1 ZINC001440294664 1065928580 /nfs/dbraw/zinc/92/85/80/1065928580.db2.gz QBXPRFMYQLLKRB-UHFFFAOYSA-N 0 0 457.481 4.915 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001440296872 1065928952 /nfs/dbraw/zinc/92/89/52/1065928952.db2.gz WEFITODWWLYXKJ-SANMLTNESA-N 0 0 450.535 4.793 20 0 JJADRN CCN(CC)C(=O)c1ccc(OC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC001360816929 1065929461 /nfs/dbraw/zinc/92/94/61/1065929461.db2.gz ZJODNMDRBIVFBR-VWLOTQADSA-N 0 0 458.558 4.944 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545930113 1065929735 /nfs/dbraw/zinc/92/97/35/1065929735.db2.gz ABVSHHISFQZSEK-RUZDIDTESA-N 0 0 492.064 4.548 20 0 JJADRN CC1(C)CCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001360817189 1065930048 /nfs/dbraw/zinc/93/00/48/1065930048.db2.gz HTUGJGKFQPBRIX-UHFFFAOYSA-N 0 0 459.953 4.750 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC001440328288 1065930092 /nfs/dbraw/zinc/93/00/92/1065930092.db2.gz FSFVHGUNXNKHPL-MRXNPFEDSA-N 0 0 457.880 4.937 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC(C)(C)CC3)n2C[C@@H]2CCCCS2)C1 ZINC001360817545 1065930542 /nfs/dbraw/zinc/93/05/42/1065930542.db2.gz QYRVJIMYGJGENO-OTWHNJEPSA-N 0 0 463.692 4.961 20 0 JJADRN CC1(C)CCN(c2nnc(COc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001360817637 1065930665 /nfs/dbraw/zinc/93/06/65/1065930665.db2.gz SJXVQYSUAQTYDD-UHFFFAOYSA-N 0 0 461.488 4.667 20 0 JJADRN CCOc1ccc(CN(C)C(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1OC ZINC001440331443 1065930730 /nfs/dbraw/zinc/93/07/30/1065930730.db2.gz PSWHMLHIZHIMKW-NRFANRHFSA-N 0 0 454.567 4.727 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2cc(I)ccc2C)cc1OC ZINC001440332945 1065930810 /nfs/dbraw/zinc/93/08/10/1065930810.db2.gz WNNHOUWGJDCMEF-QGZVFWFLSA-N 0 0 451.304 4.594 20 0 JJADRN CC(C)(C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(I)cc1 ZINC001360818750 1065931646 /nfs/dbraw/zinc/93/16/46/1065931646.db2.gz KABFXIGIHUQMLO-UHFFFAOYSA-N 0 0 482.410 4.622 20 0 JJADRN CC(C)(Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)C1)C(F)(F)F ZINC001360819276 1065932126 /nfs/dbraw/zinc/93/21/26/1065932126.db2.gz SSDQDFGPDWGXTR-UHFFFAOYSA-N 0 0 461.326 4.911 20 0 JJADRN COc1ccc2cc([C@@H](C)OC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)ccc2c1 ZINC001360819560 1065932356 /nfs/dbraw/zinc/93/23/56/1065932356.db2.gz AIXLULRBHYYLSC-OAHLLOKOSA-N 0 0 459.951 4.814 20 0 JJADRN CC1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCCCO)CCS1 ZINC001360820828 1065933974 /nfs/dbraw/zinc/93/39/74/1065933974.db2.gz JDDLFIPEUQSNNN-UHFFFAOYSA-N 0 0 466.742 4.723 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001440376069 1065934247 /nfs/dbraw/zinc/93/42/47/1065934247.db2.gz VGLCTTUKXDEPQX-UHFFFAOYSA-N 0 0 453.539 4.533 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001440374548 1065934269 /nfs/dbraw/zinc/93/42/69/1065934269.db2.gz MEWLVDLWFJZWSS-GOSISDBHSA-N 0 0 451.792 4.562 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(F)(F)CC2)CCS1 ZINC001360821013 1065934354 /nfs/dbraw/zinc/93/43/54/1065934354.db2.gz ORLMSDDHVDTOEU-UHFFFAOYSA-N 0 0 484.638 4.506 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 ZINC001360820955 1065934485 /nfs/dbraw/zinc/93/44/85/1065934485.db2.gz MXIOXAHIWGMVGB-SFHVURJKSA-N 0 0 462.685 4.507 20 0 JJADRN Cc1ccc(NC(=O)c2coc3c2C(=O)CCC3)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440379731 1065934749 /nfs/dbraw/zinc/93/47/49/1065934749.db2.gz AUEODSCFOLUREL-UHFFFAOYSA-N 0 0 458.923 4.814 20 0 JJADRN CC1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccoc2)CC(C)(C)O1 ZINC001360821419 1065935417 /nfs/dbraw/zinc/93/54/17/1065935417.db2.gz ZCRZYJAAZXDBJV-UHFFFAOYSA-N 0 0 463.351 4.882 20 0 JJADRN CC1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CC2=CCCOC2)CCS1 ZINC001360821656 1065935735 /nfs/dbraw/zinc/93/57/35/1065935735.db2.gz DVUWWBIRSKTQDU-UHFFFAOYSA-N 0 0 467.408 4.525 20 0 JJADRN CC1(C)CN(c2nnc(-c3ccccc3Br)n2Cc2ccnc(C(F)(F)F)c2)CCO1 ZINC001360821942 1065936349 /nfs/dbraw/zinc/93/63/49/1065936349.db2.gz PFHFBJFAGZIJIF-UHFFFAOYSA-N 0 0 496.331 4.785 20 0 JJADRN CC1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC=CO2)CC(C)(C)O1 ZINC001360821951 1065936380 /nfs/dbraw/zinc/93/63/80/1065936380.db2.gz PUVGQRWZJNCYJW-MRXNPFEDSA-N 0 0 479.394 4.933 20 0 JJADRN CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c(C(F)(F)F)c1 ZINC001360822240 1065936808 /nfs/dbraw/zinc/93/68/08/1065936808.db2.gz COCDPHAINQOSHL-UONOGXRCSA-N 0 0 454.518 4.711 20 0 JJADRN CC[C@H](C)Sc1ccc(NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)c(C(F)(F)F)c1 ZINC001360822520 1065936840 /nfs/dbraw/zinc/93/68/40/1065936840.db2.gz PBYHNNOVWGLLBQ-LBPRGKRZSA-N 0 0 458.506 4.782 20 0 JJADRN CC1(C)CN(c2nnc(-c3cnccn3)n2C[C@H](F)c2ccc(Br)cc2)CCS1 ZINC001360822919 1065937011 /nfs/dbraw/zinc/93/70/11/1065937011.db2.gz 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CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC001440482211 1065942967 /nfs/dbraw/zinc/94/29/67/1065942967.db2.gz GZILGTLBYSLHGT-UHFFFAOYSA-N 0 0 459.974 4.524 20 0 JJADRN CC(C)(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CCN1CCOC(C)(C)C1 ZINC001360830233 1065942908 /nfs/dbraw/zinc/94/29/08/1065942908.db2.gz IBZXTQHZEZXRDK-HXUWFJFHSA-N 0 0 496.483 4.571 20 0 JJADRN CC1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)CC(C)(C)O1 ZINC001360830115 1065943105 /nfs/dbraw/zinc/94/31/05/1065943105.db2.gz XZVJZVBYZDHIFZ-KRWDZBQOSA-N 0 0 451.036 4.797 20 0 JJADRN CN(CCOc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1)C(=O)OC(C)(C)C ZINC001440484439 1065943218 /nfs/dbraw/zinc/94/32/18/1065943218.db2.gz REXZCVNCZKVQKK-UHFFFAOYSA-N 0 0 450.938 4.997 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@H]1CCC[C@H]1CC ZINC001545932368 1065943380 /nfs/dbraw/zinc/94/33/80/1065943380.db2.gz JPTKUJKAIBTYFX-ZYKOEDHHSA-N 0 0 483.657 4.609 20 0 JJADRN Cc1cc(I)ccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 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COc1ccccc1CC(C)(C)C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001440677092 1065963620 /nfs/dbraw/zinc/96/36/20/1065963620.db2.gz BSBUFBUSOXAWMA-UHFFFAOYSA-N 0 0 457.618 4.702 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NCCCOCC2CC2)c1 ZINC001440678480 1065963960 /nfs/dbraw/zinc/96/39/60/1065963960.db2.gz JFFVPNURSPRNFB-UHFFFAOYSA-N 0 0 458.624 4.640 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccccn2)CC1 ZINC001360851380 1065964219 /nfs/dbraw/zinc/96/42/19/1065964219.db2.gz IYYSOAALODUFLD-UHFFFAOYSA-N 0 0 459.779 4.510 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)C(C)C)CC1 ZINC001360851297 1065964236 /nfs/dbraw/zinc/96/42/36/1065964236.db2.gz GJXCRUOVTGWQHE-UHFFFAOYSA-N 0 0 480.838 4.640 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCC2)CC1 ZINC001360851707 1065965614 /nfs/dbraw/zinc/96/56/14/1065965614.db2.gz PUTBLHNHUTWPEC-UHFFFAOYSA-N 0 0 492.849 4.880 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 ZINC001440683298 1065965858 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4.533 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCSCC(F)(F)F)CC1 ZINC001360853239 1065968821 /nfs/dbraw/zinc/96/88/21/1065968821.db2.gz HNRAROPDKJRBOF-AWEZNQCLSA-N 0 0 469.371 4.694 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001440709764 1065969209 /nfs/dbraw/zinc/96/92/09/1065969209.db2.gz YYMGTKGTFGCIBI-IRFCIJBXSA-N 0 0 456.608 4.893 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360853556 1065969749 /nfs/dbraw/zinc/96/97/49/1065969749.db2.gz HABAZGOOPVHVLZ-CYFREDJKSA-N 0 0 473.459 4.884 20 0 JJADRN Cc1nc(-c2ccc(CCNC(=O)CC(C)(C)NC(=O)OCc3ccccc3)s2)cs1 ZINC001440712179 1065969990 /nfs/dbraw/zinc/96/99/90/1065969990.db2.gz MMZPBEITQKBKDP-UHFFFAOYSA-N 0 0 457.621 4.934 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)C)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360853618 1065970310 /nfs/dbraw/zinc/97/03/10/1065970310.db2.gz IJZQPFDGPSLECB-UHFFFAOYSA-N 0 0 488.352 4.740 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360853668 1065970721 /nfs/dbraw/zinc/97/07/21/1065970721.db2.gz NAXSIZJCLZJYTN-FUHWJXTLSA-N 0 0 498.466 4.654 20 0 JJADRN CN(CCOc1cccc(Cl)c1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440715076 1065970841 /nfs/dbraw/zinc/97/08/41/1065970841.db2.gz TUSNQKUMXNMJGR-LJQANCHMSA-N 0 0 458.889 4.627 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001360853876 1065971317 /nfs/dbraw/zinc/97/13/17/1065971317.db2.gz LWBJGJFJDIMBHR-UHFFFAOYSA-N 0 0 473.463 4.830 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@]2(C)CCCS2)cs1 ZINC001360853846 1065971382 /nfs/dbraw/zinc/97/13/82/1065971382.db2.gz LFXFCMXMRBFDJD-IBGZPJMESA-N 0 0 468.490 4.799 20 0 JJADRN Cc1ccc(NC(=O)c2ncnc3sccc32)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440733460 1065972038 /nfs/dbraw/zinc/97/20/38/1065972038.db2.gz KYBDFEDNXRQWLN-UHFFFAOYSA-N 0 0 458.952 4.706 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Cl)nc2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440732026 1065972087 /nfs/dbraw/zinc/97/20/87/1065972087.db2.gz GPSVMOUBIPHEEQ-UHFFFAOYSA-N 0 0 454.310 4.889 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001360853992 1065971974 /nfs/dbraw/zinc/97/19/74/1065971974.db2.gz OMJMJRCJZIPETG-UHFFFAOYSA-N 0 0 470.456 4.661 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001360853988 1065971992 /nfs/dbraw/zinc/97/19/92/1065971992.db2.gz OJBCCIBJPBYQIH-UHFFFAOYSA-N 0 0 482.467 4.805 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360854342 1065973700 /nfs/dbraw/zinc/97/37/00/1065973700.db2.gz UPZPEQFTZKRVIN-KSFYIVLOSA-N 0 0 479.850 4.952 20 0 JJADRN Cc1csc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C)=C(Br)C2)n1 ZINC001360854547 1065973928 /nfs/dbraw/zinc/97/39/28/1065973928.db2.gz YTYFFHZUFGZCML-UHFFFAOYSA-N 0 0 462.392 4.700 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@](C)(O)CCC(C)C)cs1 ZINC001360854555 1065974075 /nfs/dbraw/zinc/97/40/75/1065974075.db2.gz ZHFROBMHIABKOY-NRFANRHFSA-N 0 0 482.492 4.700 20 0 JJADRN COc1ccc(NC(=O)c2c(C)nc3ccc(Br)cn32)cc1OCC(F)(F)F ZINC001440741817 1065974382 /nfs/dbraw/zinc/97/43/82/1065974382.db2.gz ZGTXTPFBJGSMRN-UHFFFAOYSA-N 0 0 458.234 4.607 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c1 ZINC001360855133 1065974529 /nfs/dbraw/zinc/97/45/29/1065974529.db2.gz LRSFHQMHGQCYPU-SNVBAGLBSA-N 0 0 450.226 4.813 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001360857529 1065975274 /nfs/dbraw/zinc/97/52/74/1065975274.db2.gz CENJWSXXFHJSFD-DLBZAZTESA-N 0 0 479.394 4.548 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccccc3F)n2Cc2nccn2C(F)F)CC1 ZINC001360857540 1065975410 /nfs/dbraw/zinc/97/54/10/1065975410.db2.gz CPHLCBLEVPFIBM-UHFFFAOYSA-N 0 0 497.319 4.515 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CC2)CC1 ZINC001360857619 1065975717 /nfs/dbraw/zinc/97/57/17/1065975717.db2.gz GMDPNDIZIGSDOS-UHFFFAOYSA-N 0 0 475.431 4.559 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360857822 1065976052 /nfs/dbraw/zinc/97/60/52/1065976052.db2.gz NVGCKLYSXAGLPS-IRXDYDNUSA-N 0 0 479.394 4.690 20 0 JJADRN CC1=C(Br)CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 ZINC001360857779 1065976068 /nfs/dbraw/zinc/97/60/68/1065976068.db2.gz MGJUTVWELWHTIO-UHFFFAOYSA-N 0 0 469.836 4.628 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001360857806 1065976122 /nfs/dbraw/zinc/97/61/22/1065976122.db2.gz NNFGSOJUIZWLBN-DYESRHJHSA-N 0 0 475.431 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2Cn2cccn2)CC[C@@H]2CCCC[C@@H]21 ZINC001440750380 1065976105 /nfs/dbraw/zinc/97/61/05/1065976105.db2.gz CHVGLAOUIWAXLO-VJBMBRPKSA-N 0 0 452.599 4.506 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)CC1 ZINC001360857934 1065976448 /nfs/dbraw/zinc/97/64/48/1065976448.db2.gz RKPLKFXELJFLKB-INIZCTEOSA-N 0 0 481.822 4.816 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001360858026 1065976945 /nfs/dbraw/zinc/97/69/45/1065976945.db2.gz VYHZPMYHFYJMRD-QGZVFWFLSA-N 0 0 487.320 4.956 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2CCCOc2ccc(C)cc2)n1 ZINC001360857963 1065977010 /nfs/dbraw/zinc/97/70/10/1065977010.db2.gz SGMNZITXWBKTOT-UHFFFAOYSA-N 0 0 499.457 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCCCn3ccc4ccccc43)o2)CC1 ZINC001440766087 1065977614 /nfs/dbraw/zinc/97/76/14/1065977614.db2.gz OGNJZWVHIUWVJX-UHFFFAOYSA-N 0 0 452.555 4.564 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)[C@H](CC(C)C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC001440767185 1065977640 /nfs/dbraw/zinc/97/76/40/1065977640.db2.gz FJPWQDDUFVWHTE-SDHOMARFSA-N 0 0 450.623 4.532 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)C ZINC001360858354 1065977819 /nfs/dbraw/zinc/97/78/19/1065977819.db2.gz IARNRLFQQABFFH-UHFFFAOYSA-N 0 0 492.393 4.660 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001360858431 1065977836 /nfs/dbraw/zinc/97/78/36/1065977836.db2.gz LBYPFLSFNGWHHU-UHFFFAOYSA-N 0 0 498.509 4.717 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](C)C1 ZINC001360858482 1065977876 /nfs/dbraw/zinc/97/78/76/1065977876.db2.gz MFNIVOXGDPRBQL-UYAOXDASSA-N 0 0 483.588 4.905 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F ZINC001360858488 1065977891 /nfs/dbraw/zinc/97/78/91/1065977891.db2.gz MIFLKRTZZZHCBT-UHFFFAOYSA-N 0 0 469.895 4.709 20 0 JJADRN CC[C@]1(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001440769821 1065978049 /nfs/dbraw/zinc/97/80/49/1065978049.db2.gz PBUFQGZKOBPZSP-HFZDXXHNSA-N 0 0 452.599 4.605 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360858584 1065978121 /nfs/dbraw/zinc/97/81/21/1065978121.db2.gz OZEWHJSOZVJLPH-MRXNPFEDSA-N 0 0 477.943 4.802 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N(C)Cc1csc(Br)c1 ZINC001360858550 1065978176 /nfs/dbraw/zinc/97/81/76/1065978176.db2.gz ODCATGBJVSGQTR-UHFFFAOYSA-N 0 0 480.432 4.583 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)CC2)cc1 ZINC001440775007 1065978326 /nfs/dbraw/zinc/97/83/26/1065978326.db2.gz ZQLKWYUCSZORMX-UHFFFAOYSA-N 0 0 454.368 4.703 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(F)(F)F ZINC001360858549 1065978297 /nfs/dbraw/zinc/97/82/97/1065978297.db2.gz OCIABSVFIKMXDP-CQSZACIVSA-N 0 0 495.571 4.851 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(F)c(Br)c(Cl)c1 ZINC001440780246 1065978828 /nfs/dbraw/zinc/97/88/28/1065978828.db2.gz GKQAIUAVSNLHSV-UHFFFAOYSA-N 0 0 454.727 4.668 20 0 JJADRN O=C(CCCc1csc2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001440785434 1065978946 /nfs/dbraw/zinc/97/89/46/1065978946.db2.gz OMBBSZKWRVXUBE-UHFFFAOYSA-N 0 0 456.633 4.715 20 0 JJADRN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)ccn1 ZINC001360860313 1065978885 /nfs/dbraw/zinc/97/88/85/1065978885.db2.gz JDASVOWEKHWUPS-INIZCTEOSA-N 0 0 454.521 4.778 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)ccn1 ZINC001360860314 1065978967 /nfs/dbraw/zinc/97/89/67/1065978967.db2.gz JDASVOWEKHWUPS-MRXNPFEDSA-N 0 0 454.521 4.778 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360861800 1065979407 /nfs/dbraw/zinc/97/94/07/1065979407.db2.gz VEXOMGXEWROBNZ-UHFFFAOYSA-N 0 0 495.571 4.821 20 0 JJADRN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)ccn1 ZINC001360861113 1065979469 /nfs/dbraw/zinc/97/94/69/1065979469.db2.gz ZWOSBVUDTKWBHP-INIZCTEOSA-N 0 0 454.521 4.778 20 0 JJADRN CCC(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21)N1CCOCC1 ZINC001440796237 1065979954 /nfs/dbraw/zinc/97/99/54/1065979954.db2.gz INHWNXUVJJVLOA-IIBYNOLFSA-N 0 0 450.048 4.622 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001360861970 1065979765 /nfs/dbraw/zinc/97/97/65/1065979765.db2.gz ALOVRRILOFDHRD-HXUWFJFHSA-N 0 0 483.588 4.590 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360862153 1065979948 /nfs/dbraw/zinc/97/99/48/1065979948.db2.gz GZUUKKSFVBZAGN-QZNHQXDQSA-N 0 0 483.657 4.711 20 0 JJADRN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC001440814712 1065980316 /nfs/dbraw/zinc/98/03/16/1065980316.db2.gz HFPSOJGPEXXGRS-UHFFFAOYSA-N 0 0 450.366 4.880 20 0 JJADRN C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440814362 1065980497 /nfs/dbraw/zinc/98/04/97/1065980497.db2.gz ABDDNOCFAWLTBU-IIBYNOLFSA-N 0 0 459.974 4.639 20 0 JJADRN COc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C(=O)N2CCCCC2)cc1OC ZINC001440821407 1065981281 /nfs/dbraw/zinc/98/12/81/1065981281.db2.gz XMDCEFFPENTKAM-UHFFFAOYSA-N 0 0 451.567 4.573 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C2CC2)cc1 ZINC001440821606 1065981388 /nfs/dbraw/zinc/98/13/88/1065981388.db2.gz DRKMAOJNOGOFGR-HSZRJFAPSA-N 0 0 456.514 4.955 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1C ZINC001360862793 1065981372 /nfs/dbraw/zinc/98/13/72/1065981372.db2.gz WWSMLHYGJBMHSQ-GBXCKJPGSA-N 0 0 497.043 4.746 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC001360862561 1065981382 /nfs/dbraw/zinc/98/13/82/1065981382.db2.gz BRIIDPRDZROKEA-VIFPVBQESA-N 0 0 451.358 4.655 20 0 JJADRN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@@H](c2ccco2)C1 ZINC001360863180 1065981728 /nfs/dbraw/zinc/98/17/28/1065981728.db2.gz MJKBOSMFAXUHTA-OXQOHEQNSA-N 0 0 459.384 4.894 20 0 JJADRN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@H](c2ccco2)C1 ZINC001360863178 1065981975 /nfs/dbraw/zinc/98/19/75/1065981975.db2.gz MJKBOSMFAXUHTA-JXFKEZNVSA-N 0 0 459.384 4.894 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001440822858 1065981989 /nfs/dbraw/zinc/98/19/89/1065981989.db2.gz GQFCQOJTPYKETG-UHFFFAOYSA-N 0 0 455.555 4.880 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)n2)cc(Cl)c1OC ZINC001360863424 1065982285 /nfs/dbraw/zinc/98/22/85/1065982285.db2.gz SQFNHEIMRFCCRO-YOEHRIQHSA-N 0 0 459.930 4.933 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccnc2)C(C)C)c1C ZINC001360864609 1065982533 /nfs/dbraw/zinc/98/25/33/1065982533.db2.gz CXALYTGMDZZWPY-JOCHJYFZSA-N 0 0 471.609 4.800 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(F)cc1F ZINC001440843044 1065983752 /nfs/dbraw/zinc/98/37/52/1065983752.db2.gz LMLDAVMVBUJLHT-INIZCTEOSA-N 0 0 450.485 4.850 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CCSC2)c1C ZINC001360865402 1065984258 /nfs/dbraw/zinc/98/42/58/1065984258.db2.gz ARUXQLMHPFYOTC-KOSHJBKYSA-N 0 0 488.057 4.588 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OCC ZINC001440862707 1065984249 /nfs/dbraw/zinc/98/42/49/1065984249.db2.gz NBMCTLILWNIRRR-OAQYLSRUSA-N 0 0 454.615 4.531 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001440863384 1065984361 /nfs/dbraw/zinc/98/43/61/1065984361.db2.gz BFOWRNCFIRUYKN-YADARESESA-N 0 0 455.601 4.531 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2cc(COC(C)(C)C)on2)c1C ZINC001360865261 1065984376 /nfs/dbraw/zinc/98/43/76/1065984376.db2.gz WPLMPUQAYZCAGB-UHFFFAOYSA-N 0 0 480.613 4.589 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1Cc1ccc(Cl)cc1 ZINC001545936126 1065984804 /nfs/dbraw/zinc/98/48/04/1065984804.db2.gz CIIJMRNRKJZMTL-UHFFFAOYSA-N 0 0 474.049 4.828 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001440863406 1065984837 /nfs/dbraw/zinc/98/48/37/1065984837.db2.gz BKCFQYCXMZYZJQ-NZQKXSOJSA-N 0 0 458.624 4.932 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)c1C ZINC001360865653 1065985130 /nfs/dbraw/zinc/98/51/30/1065985130.db2.gz GJKWGDAKYXFPLG-QFIPXVFZSA-N 0 0 492.668 4.797 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CC[C@H](C)C2)c1C ZINC001360865656 1065985197 /nfs/dbraw/zinc/98/51/97/1065985197.db2.gz GJPXXJSNOBEZEV-NKRQLCBBSA-N 0 0 476.687 4.729 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ccncc1 ZINC001360865703 1065985570 /nfs/dbraw/zinc/98/55/70/1065985570.db2.gz HEHOQQOUHMVSAV-OAQYLSRUSA-N 0 0 460.582 4.914 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3cccs3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001360865692 1065985591 /nfs/dbraw/zinc/98/55/91/1065985591.db2.gz GZVYEDIPCZOTBF-MOPGFXCFSA-N 0 0 488.679 4.871 20 0 JJADRN O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccccc1C(=O)NCC(F)(F)F ZINC001440868573 1065985691 /nfs/dbraw/zinc/98/56/91/1065985691.db2.gz VLQUVMKWPUPEBQ-UHFFFAOYSA-N 0 0 453.269 4.949 20 0 JJADRN COc1ccc2c(c1)CCCN2C(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 ZINC001440869836 1065986104 /nfs/dbraw/zinc/98/61/04/1065986104.db2.gz KLEQBYWVIJBBQU-UHFFFAOYSA-N 0 0 454.567 4.511 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001440870819 1065986157 /nfs/dbraw/zinc/98/61/57/1065986157.db2.gz KYYQBVVMLXVZTH-MRXNPFEDSA-N 0 0 451.792 4.604 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCSC3)n2CCC(=O)NC2CCCCC2)c1C ZINC001360865964 1065986519 /nfs/dbraw/zinc/98/65/19/1065986519.db2.gz KPDRENYAFQURPV-IFMALSPDSA-N 0 0 485.698 4.816 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC(C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001360866059 1065986947 /nfs/dbraw/zinc/98/69/47/1065986947.db2.gz MIHXTQBFGRXZKL-OBONGRFPSA-N 0 0 481.563 4.728 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCSC3)n2CCCOC(F)(F)F)c1C ZINC001360866062 1065987065 /nfs/dbraw/zinc/98/70/65/1065987065.db2.gz MJAMCANRYCDADV-IAGOWNOFSA-N 0 0 458.550 4.903 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360866045 1065987093 /nfs/dbraw/zinc/98/70/93/1065987093.db2.gz MCMAXGGPAFFQKK-AAIMPIBUSA-N 0 0 465.646 4.811 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 ZINC001360866125 1065987498 /nfs/dbraw/zinc/98/74/98/1065987498.db2.gz NDQVXQGLKWMGLA-UNMCSNQZSA-N 0 0 468.671 4.962 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CSCCS2)c1C ZINC001360866186 1065988208 /nfs/dbraw/zinc/98/82/08/1065988208.db2.gz OCQDQDLMQGQPKL-HZPDHXFCSA-N 0 0 460.591 4.882 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CC(F)(F)c1ccccc1 ZINC001545936232 1065988297 /nfs/dbraw/zinc/98/82/97/1065988297.db2.gz FTYILYYROAYCTK-UHFFFAOYSA-N 0 0 489.611 4.918 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C(C)(C)C ZINC001440877874 1065988350 /nfs/dbraw/zinc/98/83/50/1065988350.db2.gz PAJDBPUNQDCJQU-NRFANRHFSA-N 0 0 453.583 4.885 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)=NO1 ZINC001440880687 1065988534 /nfs/dbraw/zinc/98/85/34/1065988534.db2.gz FLANSWKJJHFGEL-VXKWHMMOSA-N 0 0 451.567 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2(C)CCCC2)c1C ZINC001360866300 1065988700 /nfs/dbraw/zinc/98/87/00/1065988700.db2.gz QLPFOZNTOAOAOW-NJYVYQBISA-N 0 0 476.687 4.873 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001440882872 1065989092 /nfs/dbraw/zinc/98/90/92/1065989092.db2.gz SKRGGIWUGNILSW-GOSISDBHSA-N 0 0 454.411 4.853 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCC(=O)NC(C)C)c1C ZINC001360866655 1065989657 /nfs/dbraw/zinc/98/96/57/1065989657.db2.gz WXHZDOQWQZVXDU-UXHICEINSA-N 0 0 453.587 4.740 20 0 JJADRN CC(C)Cn1nccc1C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001360866934 1065990323 /nfs/dbraw/zinc/99/03/23/1065990323.db2.gz DHTCMRJARDDFLK-UHFFFAOYSA-N 0 0 452.356 4.952 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCCN2CCOCC2)c1C ZINC001360866805 1065990345 /nfs/dbraw/zinc/99/03/45/1065990345.db2.gz YYDZSEITFVAFLN-FGZHOGPDSA-N 0 0 467.614 4.548 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCCN2CCOCC2)c1C ZINC001360866803 1065990403 /nfs/dbraw/zinc/99/04/03/1065990403.db2.gz YYDZSEITFVAFLN-FCHUYYIVSA-N 0 0 467.614 4.548 20 0 JJADRN CCc1c(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)cnn1CC ZINC001360866944 1065990789 /nfs/dbraw/zinc/99/07/89/1065990789.db2.gz DWYKOKNLTRKPFA-UHFFFAOYSA-N 0 0 452.356 4.878 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC001360867953 1065991150 /nfs/dbraw/zinc/99/11/50/1065991150.db2.gz NLWVYMHTFNUIQN-DEOSSOPVSA-N 0 0 457.640 4.606 20 0 JJADRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cc1 ZINC001440897376 1065991519 /nfs/dbraw/zinc/99/15/19/1065991519.db2.gz HKGFBPBIBMFPQB-UHFFFAOYSA-N 0 0 458.474 4.539 20 0 JJADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](CO)c1ccc(Cl)cc1)CC2 ZINC001440898586 1065992005 /nfs/dbraw/zinc/99/20/05/1065992005.db2.gz IYDBEYYTMPSRAK-WMZHIEFXSA-N 0 0 457.979 4.669 20 0 JJADRN CCCOc1ccccc1NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001440897862 1065992032 /nfs/dbraw/zinc/99/20/32/1065992032.db2.gz MTIDWLPOSSZDDM-FQEVSTJZSA-N 0 0 453.539 4.506 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2CCn2cc(Cl)cn2)c1C ZINC001360868461 1065992062 /nfs/dbraw/zinc/99/20/62/1065992062.db2.gz FRYSXPWLXNLXIB-MRXNPFEDSA-N 0 0 470.927 4.974 20 0 JJADRN Cc1nc2ccc(C(=O)NCCN3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)cc2s1 ZINC001440918899 1065993433 /nfs/dbraw/zinc/99/34/33/1065993433.db2.gz DHXLNXBZGAXRRT-VCHYOVAHSA-N 0 0 457.964 4.724 20 0 JJADRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440919335 1065993862 /nfs/dbraw/zinc/99/38/62/1065993862.db2.gz FGZOBIFXSYRPLU-ALWKJNJNSA-N 0 0 454.979 4.761 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1C ZINC001440920202 1065994042 /nfs/dbraw/zinc/99/40/42/1065994042.db2.gz HRLUTOFNWLTPJA-JJOCEZFHSA-N 0 0 454.979 4.913 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC001440924912 1065994839 /nfs/dbraw/zinc/99/48/39/1065994839.db2.gz YZGPUTBKGNMHIS-VFBGBMQPSA-N 0 0 456.951 4.605 20 0 JJADRN CC(C)Cc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC001440924878 1065994883 /nfs/dbraw/zinc/99/48/83/1065994883.db2.gz YRNPFGQWXBMFET-KGENOOAVSA-N 0 0 456.995 4.934 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001440927678 1065995425 /nfs/dbraw/zinc/99/54/25/1065995425.db2.gz DZCJWXQODJZOLP-KOSHJBKYSA-N 0 0 456.652 4.583 20 0 JJADRN Cc1ccc(OCCNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 ZINC001440926802 1065995451 /nfs/dbraw/zinc/99/54/51/1065995451.db2.gz UYVWKCWBASMTNW-UHFFFAOYSA-N 0 0 453.336 4.819 20 0 JJADRN CC[C@H](C)[C@H](C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001440927680 1065995503 /nfs/dbraw/zinc/99/55/03/1065995503.db2.gz DZCJWXQODJZOLP-UUOWRZLLSA-N 0 0 456.652 4.583 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360869096 1065996023 /nfs/dbraw/zinc/99/60/23/1065996023.db2.gz FAHGUEPYTLJDIT-DNVJHFABSA-N 0 0 456.631 4.713 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1 ZINC001440947538 1065996404 /nfs/dbraw/zinc/99/64/04/1065996404.db2.gz UKCAACNHUJLGKD-HSZRJFAPSA-N 0 0 451.032 4.720 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001440966104 1065997348 /nfs/dbraw/zinc/99/73/48/1065997348.db2.gz GPDSJAPSLKTZSR-FQEVSTJZSA-N 0 0 453.587 4.612 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CCC(C)C)C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1C ZINC001360869412 1065997467 /nfs/dbraw/zinc/99/74/67/1065997467.db2.gz HHJIJFAJOZMTLK-FCHUYYIVSA-N 0 0 488.698 4.875 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CCO[C@H](c3ccccc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001440967432 1065997588 /nfs/dbraw/zinc/99/75/88/1065997588.db2.gz LZMGDUHNWXNMDF-UXHICEINSA-N 0 0 459.974 4.599 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001440969968 1065997604 /nfs/dbraw/zinc/99/76/04/1065997604.db2.gz YTBGYVRIXDSIQY-IBGZPJMESA-N 0 0 453.568 4.561 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001440969902 1065997707 /nfs/dbraw/zinc/99/77/07/1065997707.db2.gz XVZFATLSXGQJAT-QGZVFWFLSA-N 0 0 451.379 4.971 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2CCOC2)c1C ZINC001360869495 1065998001 /nfs/dbraw/zinc/99/80/01/1065998001.db2.gz HXWDHMAKLAYYET-YDIMBITNSA-N 0 0 496.574 4.601 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)NCc1cc(-c2ccccc2)no1 ZINC001440987294 1065998783 /nfs/dbraw/zinc/99/87/83/1065998783.db2.gz FUEGQMAPWGJGDX-UHFFFAOYSA-N 0 0 450.130 4.726 20 0 JJADRN CCN(c1ccc(NC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1)C(C)C ZINC001440984857 1065998868 /nfs/dbraw/zinc/99/88/68/1065998868.db2.gz NREHWVJUJAJRQA-SANMLTNESA-N 0 0 459.631 4.792 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869759 1065999211 /nfs/dbraw/zinc/99/92/11/1065999211.db2.gz RDMMHNWEYVIJAW-NHCUHLMSSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)c1C ZINC001360869746 1065999275 /nfs/dbraw/zinc/99/92/75/1065999275.db2.gz QXTKLUWVQBTGNM-GMAHTHKFSA-N 0 0 479.625 4.738 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)ccc2c1 ZINC001441001136 1065999239 /nfs/dbraw/zinc/99/92/39/1065999239.db2.gz GCXOROJOKLNRKB-FQEVSTJZSA-N 0 0 453.336 4.695 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC001545937240 1065999330 /nfs/dbraw/zinc/99/93/30/1065999330.db2.gz HUMJUOKNULXDPV-LAUBAEHRSA-N 0 0 450.539 4.514 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869758 1065999321 /nfs/dbraw/zinc/99/93/21/1065999321.db2.gz RDMMHNWEYVIJAW-LEWJYISDSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC(C)C)C(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)c1C ZINC001360869857 1065999807 /nfs/dbraw/zinc/99/98/07/1065999807.db2.gz KYQGRWMOQYBHBB-ZBLYBZFDSA-N 0 0 467.658 4.917 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC001441008384 1066000005 /nfs/dbraw/zinc/00/00/05/1066000005.db2.gz TVHLLAIZEFJTGI-UHFFFAOYSA-N 0 0 453.347 4.897 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360870007 1066000788 /nfs/dbraw/zinc/00/07/88/1066000788.db2.gz LPSQRRKQNIDNBH-UUOWRZLLSA-N 0 0 496.574 4.790 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)c2)c1C ZINC001441014523 1066000966 /nfs/dbraw/zinc/00/09/66/1066000966.db2.gz VTGIJHWIPPACPT-OAHLLOKOSA-N 0 0 453.926 4.858 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)F)n2Cc2ccnc(-n3cccn3)c2)c1C ZINC001360870137 1066001116 /nfs/dbraw/zinc/00/11/16/1066001116.db2.gz VMFYTWWRZBVOPK-LJQANCHMSA-N 0 0 481.551 4.755 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)c1C ZINC001360870151 1066001229 /nfs/dbraw/zinc/00/12/29/1066001229.db2.gz VRCBSZFGZTYCFE-DNQXCXABSA-N 0 0 497.684 4.690 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001441017561 1066001384 /nfs/dbraw/zinc/00/13/84/1066001384.db2.gz JRPMQJXRTXXZTF-UHFFFAOYSA-N 0 0 451.832 4.632 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CCSC2)c1C ZINC001360870224 1066001604 /nfs/dbraw/zinc/00/16/04/1066001604.db2.gz NQWSEPYLWPWAMP-MMTROXRISA-N 0 0 484.588 4.944 20 0 JJADRN C/C(=C\C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1C(F)(F)F ZINC001441023532 1066001777 /nfs/dbraw/zinc/00/17/77/1066001777.db2.gz AUYCOFMBVKBLNH-ACCUITESSA-N 0 0 455.274 4.968 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1nc(C2CCCC2)cs1)c1ccc(Br)cc1 ZINC001441027372 1066001805 /nfs/dbraw/zinc/00/18/05/1066001805.db2.gz DYQXHDMTPOOUEO-INIZCTEOSA-N 0 0 451.386 4.526 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001441025137 1066001811 /nfs/dbraw/zinc/00/18/11/1066001811.db2.gz HGXOZRNKKDMRSY-GBXCKJPGSA-N 0 0 456.945 4.799 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H]2CCCN(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC001441033833 1066002032 /nfs/dbraw/zinc/00/20/32/1066002032.db2.gz RVQPDQODCDJDBX-XMMPIXPASA-N 0 0 458.558 4.676 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(SC(F)(F)F)o1)c1ccc(Br)cc1 ZINC001441029751 1066002280 /nfs/dbraw/zinc/00/22/80/1066002280.db2.gz OCQBNQLTPRQLRL-LLVKDONJSA-N 0 0 452.248 4.688 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360870505 1066002497 /nfs/dbraw/zinc/00/24/97/1066002497.db2.gz XVGOTWSWAKBMEC-FQEVSTJZSA-N 0 0 480.613 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H]2CC2(C)C)c1C ZINC001360870460 1066002506 /nfs/dbraw/zinc/00/25/06/1066002506.db2.gz PPDWFRAWTFOCSB-QRVBRYPASA-N 0 0 493.574 4.586 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CC(F)C3)n2CCc2nccnc2C)c1C ZINC001360870550 1066002813 /nfs/dbraw/zinc/00/28/13/1066002813.db2.gz YDHYHHUUFLFJSP-MWXLCCTBSA-N 0 0 452.578 4.560 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)CC2 ZINC001441044413 1066003155 /nfs/dbraw/zinc/00/31/55/1066003155.db2.gz AHKFCIJYQZZDSS-SANMLTNESA-N 0 0 450.966 4.621 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360870684 1066003164 /nfs/dbraw/zinc/00/31/64/1066003164.db2.gz PVGKYRLRIJRLRY-FYYLOGMGSA-N 0 0 481.641 4.764 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCC2CC2)c1C ZINC001360870698 1066003460 /nfs/dbraw/zinc/00/34/60/1066003460.db2.gz PXJFNWGDRWDVJI-WRWLIDTKSA-N 0 0 452.521 4.991 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC001441045858 1066003587 /nfs/dbraw/zinc/00/35/87/1066003587.db2.gz UHPPRVWNSNLTIJ-UHFFFAOYSA-N 0 0 459.262 4.804 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360870940 1066003795 /nfs/dbraw/zinc/00/37/95/1066003795.db2.gz RCKPTOVYSAFKIZ-DVJXIFHOSA-N 0 0 470.658 4.960 20 0 JJADRN CCCc1sc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Br ZINC001441049808 1066003908 /nfs/dbraw/zinc/00/39/08/1066003908.db2.gz XHOKNMDECCBWLD-UHFFFAOYSA-N 0 0 453.377 4.591 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001441048443 1066003971 /nfs/dbraw/zinc/00/39/71/1066003971.db2.gz LSTGJWJHQFZPFS-HSZRJFAPSA-N 0 0 457.534 4.933 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H]2NC(=O)CC2(C)C)c1C ZINC001360871014 1066004095 /nfs/dbraw/zinc/00/40/95/1066004095.db2.gz SOWGBJNVQUDMNE-QWJIHBKKSA-N 0 0 453.631 4.574 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001545937772 1066004329 /nfs/dbraw/zinc/00/43/29/1066004329.db2.gz YYWFWVNVZQMRAU-UHFFFAOYSA-N 0 0 454.979 4.894 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccn(C)n2)c1C ZINC001360871035 1066004659 /nfs/dbraw/zinc/00/46/59/1066004659.db2.gz SQROPPYBGQYGLN-KRWDZBQOSA-N 0 0 460.504 4.516 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871077 1066004710 /nfs/dbraw/zinc/00/47/10/1066004710.db2.gz TZMKLFKEMYGNDS-AZUAARDMSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360871443 1066005104 /nfs/dbraw/zinc/00/51/04/1066005104.db2.gz WWVGNWFZYSCVQY-WIYYLYMNSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC2CC2)c1C ZINC001360871488 1066005129 /nfs/dbraw/zinc/00/51/29/1066005129.db2.gz XPFZEJWVMIGQPE-RTWAWAEBSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC2CC2)c1C ZINC001360871487 1066005208 /nfs/dbraw/zinc/00/52/08/1066005208.db2.gz XPFZEJWVMIGQPE-NHCUHLMSSA-N 0 0 467.658 4.822 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc4[nH]nc(C(=O)OC)c4c3)s2)cc1 ZINC001441062072 1066005392 /nfs/dbraw/zinc/00/53/92/1066005392.db2.gz SAVDXTNHCGTLDW-UHFFFAOYSA-N 0 0 450.520 4.686 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCCCO2)c1C ZINC001360871507 1066005619 /nfs/dbraw/zinc/00/56/19/1066005619.db2.gz XVCRBFGJFWNOCG-SFTDATJTSA-N 0 0 456.631 4.998 20 0 JJADRN COc1cccc(N(CC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C(=O)OC(C)(C)C)c1 ZINC001441067504 1066005733 /nfs/dbraw/zinc/00/57/33/1066005733.db2.gz MOSYNHDJFPDRDC-OAHLLOKOSA-N 0 0 450.482 4.916 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CCc2ccncc2)c1C ZINC001360871670 1066005885 /nfs/dbraw/zinc/00/58/85/1066005885.db2.gz ZEUYEJJODHMVDN-NRFANRHFSA-N 0 0 451.615 4.924 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001360871657 1066005990 /nfs/dbraw/zinc/00/59/90/1066005990.db2.gz YWJBYZUPMQXFMJ-HXUWFJFHSA-N 0 0 465.642 4.744 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1OCC ZINC001360872202 1066006438 /nfs/dbraw/zinc/00/64/38/1066006438.db2.gz KBVPFDIKZXYKAC-OAQYLSRUSA-N 0 0 454.567 4.825 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CSc4cc(C)ccc4C)CC3)n2)cc1 ZINC001441087589 1066006539 /nfs/dbraw/zinc/00/65/39/1066006539.db2.gz SRLGCILUCTUPDI-FQEVSTJZSA-N 0 0 450.608 4.659 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2ccccc2NCc2ccco2)CC1 ZINC001441088703 1066006573 /nfs/dbraw/zinc/00/65/73/1066006573.db2.gz DYWHTKYLVULAKM-UHFFFAOYSA-N 0 0 458.345 4.797 20 0 JJADRN CC(C)COc1ccc(C2(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)CCC2)cc1 ZINC001441095476 1066007142 /nfs/dbraw/zinc/00/71/42/1066007142.db2.gz ZRCLTRGVYDDPCX-UHFFFAOYSA-N 0 0 450.988 4.807 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CC(C)(C)C(C)C)c1C ZINC001360872848 1066007080 /nfs/dbraw/zinc/00/70/80/1066007080.db2.gz BSSIFNJEEZVQHL-FCHUYYIVSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1C ZINC001360872943 1066007470 /nfs/dbraw/zinc/00/74/70/1066007470.db2.gz CWGXALASRXLDJQ-VQTJNVASSA-N 0 0 469.630 4.938 20 0 JJADRN CCCN(Cc1ccc(F)cc1F)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001441099662 1066007551 /nfs/dbraw/zinc/00/75/51/1066007551.db2.gz MLDNJVPQPSDTCS-XMMPIXPASA-N 0 0 452.501 4.883 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC4(CC4)C3)n2CCCCCS(C)(=O)=O)c1C ZINC001360873423 1066008981 /nfs/dbraw/zinc/00/89/81/1066008981.db2.gz DWXNAOUHSVUDEA-OAQYLSRUSA-N 0 0 474.671 4.630 20 0 JJADRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC001441126618 1066009699 /nfs/dbraw/zinc/00/96/99/1066009699.db2.gz YTLRQRHFZOZDMT-UHFFFAOYSA-N 0 0 458.967 4.778 20 0 JJADRN O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001441131914 1066010086 /nfs/dbraw/zinc/01/00/86/1066010086.db2.gz KIONDSJMYMWCAR-QFIPXVFZSA-N 0 0 457.357 4.946 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001441134073 1066010177 /nfs/dbraw/zinc/01/01/77/1066010177.db2.gz BYFSWAJIJJPQMO-UHFFFAOYSA-N 0 0 455.408 4.717 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(c4ccsc4)CC3)n2CCS(C)(=O)=O)c1C ZINC001360873728 1066010183 /nfs/dbraw/zinc/01/01/83/1066010183.db2.gz KALRQIJBGKQXJZ-IBGZPJMESA-N 0 0 488.679 4.525 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@@H](C)CN2CCOCC2)c1C ZINC001360873969 1066011356 /nfs/dbraw/zinc/01/13/56/1066011356.db2.gz IVLRUSBSOJQYNZ-ZTCOLXNVSA-N 0 0 469.674 4.628 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360873947 1066011511 /nfs/dbraw/zinc/01/15/11/1066011511.db2.gz LPALRDWHAMZYOT-QHAWAJNXSA-N 0 0 478.584 4.710 20 0 JJADRN C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC001441173203 1066011500 /nfs/dbraw/zinc/01/15/00/1066011500.db2.gz RBGJBWBNXRUWPP-GFCCVEGCSA-N 0 0 454.324 4.542 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360874260 1066011755 /nfs/dbraw/zinc/01/17/55/1066011755.db2.gz NKMHGEUUJYOMID-IFMALSPDSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCN2CCCCC2=O)c1C ZINC001360874070 1066011847 /nfs/dbraw/zinc/01/18/47/1066011847.db2.gz MCTBDGQKKNSSID-FQEVSTJZSA-N 0 0 475.584 4.673 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360874262 1066011856 /nfs/dbraw/zinc/01/18/56/1066011856.db2.gz NKMHGEUUJYOMID-RBBKRZOGSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCN2CCCCC2=O)c1C ZINC001360874071 1066011876 /nfs/dbraw/zinc/01/18/76/1066011876.db2.gz MCTBDGQKKNSSID-HXUWFJFHSA-N 0 0 475.584 4.673 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC001441180119 1066012013 /nfs/dbraw/zinc/01/20/13/1066012013.db2.gz TXNBIFPMDBVEIG-AWEZNQCLSA-N 0 0 453.457 4.914 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)ccc1Cl ZINC001441176214 1066012192 /nfs/dbraw/zinc/01/21/92/1066012192.db2.gz YLFLKILDMKUGFQ-UHFFFAOYSA-N 0 0 451.354 4.868 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1)C(=O)OC(C)(C)C ZINC001441184999 1066012479 /nfs/dbraw/zinc/01/24/79/1066012479.db2.gz DLGDFEUXWLRXGA-JSXRDJHFSA-N 0 0 473.614 4.931 20 0 JJADRN CC(C)(C)Cc1ncc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC001441183032 1066012684 /nfs/dbraw/zinc/01/26/84/1066012684.db2.gz MULLLIRSGJCABV-CYBMUJFWSA-N 0 0 451.518 4.813 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3c3nncn3C)n2CCSC(C)C)c1C ZINC001360874225 1066012683 /nfs/dbraw/zinc/01/26/83/1066012683.db2.gz KXVICWMLNFXPQM-WOJBJXKFSA-N 0 0 469.659 4.647 20 0 JJADRN CN(Cc1cccc(NC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)c1)C(=O)OC(C)(C)C ZINC001441185276 1066013075 /nfs/dbraw/zinc/01/30/75/1066013075.db2.gz GILBLMDQAPPENJ-QFIPXVFZSA-N 0 0 452.473 4.919 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC2(S(C)(=O)=O)CCC2)c1C ZINC001360874409 1066013532 /nfs/dbraw/zinc/01/35/32/1066013532.db2.gz MLOINZYMJBTVHT-HXUWFJFHSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCN2CCOC2=O)c1C ZINC001360874434 1066013865 /nfs/dbraw/zinc/01/38/65/1066013865.db2.gz OYKHGTSWSMILJQ-QGZVFWFLSA-N 0 0 494.423 4.777 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360874517 1066013879 /nfs/dbraw/zinc/01/38/79/1066013879.db2.gz QHQGPAGUWQFBHF-ZWCUEREDSA-N 0 0 463.626 4.573 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1)C(=O)OC(C)(C)C ZINC001441192555 1066014200 /nfs/dbraw/zinc/01/42/00/1066014200.db2.gz ZFRCUWBXZKFRAZ-GOSISDBHSA-N 0 0 455.530 4.574 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2CCCn2cccn2)c1C ZINC001360874647 1066014383 /nfs/dbraw/zinc/01/43/83/1066014383.db2.gz SKOPQQNHXJNVBS-JOCHJYFZSA-N 0 0 466.630 4.716 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CC2(C)C)c1C ZINC001360874589 1066014470 /nfs/dbraw/zinc/01/44/70/1066014470.db2.gz RRMZLBZWLYQWFX-RBBKRZOGSA-N 0 0 467.658 4.776 20 0 JJADRN COc1ccc(C(NC(=O)c2[nH]nc(C(C)C)c2Br)c2ccc(OC)cc2)cc1 ZINC001441197052 1066014486 /nfs/dbraw/zinc/01/44/86/1066014486.db2.gz SONCDVFWNZEXPY-UHFFFAOYSA-N 0 0 458.356 4.832 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CC2(C)C)c1C ZINC001360874591 1066014574 /nfs/dbraw/zinc/01/45/74/1066014574.db2.gz RRMZLBZWLYQWFX-UNMCSNQZSA-N 0 0 467.658 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccc(-c4ccccc4)cc3F)=NO2)C1 ZINC001441200507 1066015070 /nfs/dbraw/zinc/01/50/70/1066015070.db2.gz NNDSPRGRVPVGLM-RUZDIDTESA-N 0 0 453.514 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC001441204476 1066015155 /nfs/dbraw/zinc/01/51/55/1066015155.db2.gz NEJKPHQQGFQCRZ-HPMJWAECSA-N 0 0 458.443 4.659 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCOC[C@H]2CCOC2)c1C ZINC001360874813 1066015355 /nfs/dbraw/zinc/01/53/55/1066015355.db2.gz URNPMMCXZAQTAL-NHCUHLMSSA-N 0 0 478.584 4.714 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2=CCCOC2)c1C ZINC001360874833 1066015423 /nfs/dbraw/zinc/01/54/23/1066015423.db2.gz UZNGQEXXRSSQLH-FYYLOGMGSA-N 0 0 454.615 4.633 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2=CCCOC2)c1C ZINC001360874837 1066015463 /nfs/dbraw/zinc/01/54/63/1066015463.db2.gz UZNGQEXXRSSQLH-GMAHTHKFSA-N 0 0 454.615 4.633 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2=CCCOC2)c1C ZINC001360874836 1066015485 /nfs/dbraw/zinc/01/54/85/1066015485.db2.gz UZNGQEXXRSSQLH-GGAORHGYSA-N 0 0 454.615 4.633 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN2CCOCC2)c1C ZINC001360875026 1066016036 /nfs/dbraw/zinc/01/60/36/1066016036.db2.gz WPJVCJAEEJWOCF-FYYLOGMGSA-N 0 0 469.674 4.630 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2CCCO[C@H]2CCOC2)c1C ZINC001360875117 1066016807 /nfs/dbraw/zinc/01/68/07/1066016807.db2.gz QLVIIALLWJVCHQ-VJBWXMMDSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)F)C3)n2CC2([S@@](C)=O)CCC2)c1C ZINC001360875123 1066016904 /nfs/dbraw/zinc/01/69/04/1066016904.db2.gz QOSZIVZOGYRIOE-YEPRJOMISA-N 0 0 480.625 4.818 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H]2CSCCS2)c1C ZINC001360875208 1066016927 /nfs/dbraw/zinc/01/69/27/1066016927.db2.gz XRJHLQLCULSXCS-IRXDYDNUSA-N 0 0 454.612 4.729 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545939556 1066017180 /nfs/dbraw/zinc/01/71/80/1066017180.db2.gz DXPBMYNJTYSGCF-IBGZPJMESA-N 0 0 465.614 4.688 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360875544 1066018192 /nfs/dbraw/zinc/01/81/92/1066018192.db2.gz VGDQRZRQAZHTKV-VXKWHMMOSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC2([S@](C)=O)CC2)c1C ZINC001360875537 1066018262 /nfs/dbraw/zinc/01/82/62/1066018262.db2.gz VCNXHITZDSFNIU-UBQSJUBBSA-N 0 0 484.588 4.725 20 0 JJADRN CCCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)c1 ZINC001441240509 1066018466 /nfs/dbraw/zinc/01/84/66/1066018466.db2.gz WJGMJAVXUXGTOP-UHFFFAOYSA-N 0 0 454.548 4.927 20 0 JJADRN COc1ccc(CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cc1OC(F)F ZINC001441238484 1066018608 /nfs/dbraw/zinc/01/86/08/1066018608.db2.gz GVJYZJOSEBXSKT-UHFFFAOYSA-N 0 0 457.355 4.515 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(C3)CCCCC4)n2CCOCCCO)c1C ZINC001360875601 1066018528 /nfs/dbraw/zinc/01/85/28/1066018528.db2.gz WERCFGJOPATJTG-QFIPXVFZSA-N 0 0 456.631 4.595 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](Oc4ncccc4F)C3)n2CCC(C)(C)O)c1C ZINC001360875652 1066018625 /nfs/dbraw/zinc/01/86/25/1066018625.db2.gz WWDGCNKDRQLBNU-LEWJYISDSA-N 0 0 497.615 4.778 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2CCCCC2)c1C ZINC001360875711 1066019170 /nfs/dbraw/zinc/01/91/70/1066019170.db2.gz XOHFOEZUFYWZMB-IRLDBZIGSA-N 0 0 453.631 4.707 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCC(=O)N(C)C)c1C ZINC001360875690 1066019225 /nfs/dbraw/zinc/01/92/25/1066019225.db2.gz XIROQNTXXROVTK-AJTFRIOCSA-N 0 0 465.642 4.840 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC001441241503 1066019265 /nfs/dbraw/zinc/01/92/65/1066019265.db2.gz PJHSZIXTDVDGAT-UHFFFAOYSA-N 0 0 458.470 4.755 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@]2(O)CCCC2(C)C)c1C ZINC001360875798 1066019599 /nfs/dbraw/zinc/01/95/99/1066019599.db2.gz ZDFPNSQEDYTYTD-NYUJMHJJSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCn2cccn2)c1C ZINC001360875778 1066019671 /nfs/dbraw/zinc/01/96/71/1066019671.db2.gz YQNHSHYWSVYJPN-VQTJNVASSA-N 0 0 458.557 4.803 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCn2cccn2)c1C ZINC001360875777 1066019718 /nfs/dbraw/zinc/01/97/18/1066019718.db2.gz YQNHSHYWSVYJPN-UXHICEINSA-N 0 0 458.557 4.803 20 0 JJADRN CC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nc(C(F)(F)F)cs1 ZINC001360875930 1066020036 /nfs/dbraw/zinc/02/00/36/1066020036.db2.gz BSKIZMNAGJNVHF-GFCCVEGCSA-N 0 0 459.291 4.991 20 0 JJADRN COC(=O)c1ccc(CN(C)C(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)[nH]c2=O)cc1 ZINC001441246624 1066020385 /nfs/dbraw/zinc/02/03/85/1066020385.db2.gz DPGZMOMBGJMQLO-UHFFFAOYSA-N 0 0 459.546 4.777 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)c1nc(C(F)(F)F)cs1 ZINC001360876593 1066020573 /nfs/dbraw/zinc/02/05/73/1066020573.db2.gz WAIBQBMOTSDQMT-PJIJBLCYSA-N 0 0 480.512 4.701 20 0 JJADRN CC[C@H](NC(=O)Cc1ccccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876703 1066021144 /nfs/dbraw/zinc/02/11/44/1066021144.db2.gz ZZRQOMSQKSEXQZ-NSHDSACASA-N 0 0 454.255 4.577 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2O)c1)n1cccn1 ZINC001441251862 1066021343 /nfs/dbraw/zinc/02/13/43/1066021343.db2.gz YDLBLEYLJIMCTG-IBGZPJMESA-N 0 0 454.530 4.826 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CCc1cc2ccccc2s1 ZINC001545939749 1066021506 /nfs/dbraw/zinc/02/15/06/1066021506.db2.gz JORJJAWEAPFWAT-INIZCTEOSA-N 0 0 457.669 4.596 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@]2(C)CCCS2)c1C ZINC001360876832 1066021456 /nfs/dbraw/zinc/02/14/56/1066021456.db2.gz BVMGKZNTWCGSFO-LVXARBLLSA-N 0 0 485.698 4.625 20 0 JJADRN CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441258004 1066021761 /nfs/dbraw/zinc/02/17/61/1066021761.db2.gz YUBQIIFAJSMMFE-UHFFFAOYSA-N 0 0 452.904 4.912 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@H](c2ccncc2)C2CCCCC2)CC1 ZINC001441271499 1066021836 /nfs/dbraw/zinc/02/18/36/1066021836.db2.gz AZXCEKRCDAVBIZ-QFIPXVFZSA-N 0 0 459.512 4.749 20 0 JJADRN Cc1nccc(-c2cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)c2)n1 ZINC001441257300 1066021893 /nfs/dbraw/zinc/02/18/93/1066021893.db2.gz UTPIKGUSTBGMKT-OAQYLSRUSA-N 0 0 454.477 4.935 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc21 ZINC001441282813 1066022250 /nfs/dbraw/zinc/02/22/50/1066022250.db2.gz QWGFAWLJAOBCMI-OAHLLOKOSA-N 0 0 453.543 4.934 20 0 JJADRN COc1cc(N)c(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc1Br ZINC001441297256 1066023184 /nfs/dbraw/zinc/02/31/84/1066023184.db2.gz SOZVFJMMIZXAFW-LJQANCHMSA-N 0 0 455.356 4.723 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001545939906 1066023245 /nfs/dbraw/zinc/02/32/45/1066023245.db2.gz NNFLTBSJPWDXNY-RTBURBONSA-N 0 0 494.665 4.762 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC001360877491 1066023437 /nfs/dbraw/zinc/02/34/37/1066023437.db2.gz FUMRJCWTSLNKAI-ZDUSSCGKSA-N 0 0 459.395 4.785 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@H]2CCO[C@H](C)C2)c1C ZINC001360877496 1066023650 /nfs/dbraw/zinc/02/36/50/1066023650.db2.gz MCEQKQSQOBEDII-FCEUIQTBSA-N 0 0 491.627 4.627 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360877819 1066024036 /nfs/dbraw/zinc/02/40/36/1066024036.db2.gz ODBXMAPQYKSYGV-OXJZSGHZSA-N 0 0 458.672 4.961 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCSC2(C)C)c1C ZINC001360877845 1066024301 /nfs/dbraw/zinc/02/43/01/1066024301.db2.gz OONXHRVEELDNMA-VXKWHMMOSA-N 0 0 499.725 4.871 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C4=NCC(C)(C)S4)CC3)n2CC(C)C)c1C ZINC001360877828 1066024468 /nfs/dbraw/zinc/02/44/68/1066024468.db2.gz OHOFHOBTOCZZEA-HXUWFJFHSA-N 0 0 470.687 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC001441309889 1066024392 /nfs/dbraw/zinc/02/43/92/1066024392.db2.gz LRAZPGSEKTZKFC-BWAGFHJFSA-N 0 0 457.615 4.978 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC2CC2)c1C ZINC001360878209 1066024871 /nfs/dbraw/zinc/02/48/71/1066024871.db2.gz RZZIDIUTLBKQLR-FQEVSTJZSA-N 0 0 453.631 4.530 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2CCCCC2)c1C ZINC001360878212 1066024914 /nfs/dbraw/zinc/02/49/14/1066024914.db2.gz SAYZTUPYXXYVNV-QFIPXVFZSA-N 0 0 467.658 4.920 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1Cl ZINC000027393570 1066024958 /nfs/dbraw/zinc/02/49/58/1066024958.db2.gz UYWLLZSNNDPUCD-UHFFFAOYSA-N 0 0 477.011 4.774 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccncc2Cl)c1C ZINC001360878248 1066025348 /nfs/dbraw/zinc/02/53/48/1066025348.db2.gz SLGCMXXUISSQSI-SFHVURJKSA-N 0 0 490.986 4.519 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360878285 1066025430 /nfs/dbraw/zinc/02/54/30/1066025430.db2.gz TZDMKBOPAYLVPS-AJTFRIOCSA-N 0 0 497.709 4.826 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001441318245 1066026715 /nfs/dbraw/zinc/02/67/15/1066026715.db2.gz JUCGMLFKFQPHAQ-FQELHTAISA-N 0 0 470.894 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545940182 1066026823 /nfs/dbraw/zinc/02/68/23/1066026823.db2.gz TWIBIFBHAUSIIP-QZTJIDSGSA-N 0 0 465.708 4.512 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC2(C)CC2)c1C ZINC001360878697 1066026919 /nfs/dbraw/zinc/02/69/19/1066026919.db2.gz YJESORBDJRNAQH-GOSISDBHSA-N 0 0 483.554 4.857 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001441318271 1066027448 /nfs/dbraw/zinc/02/74/48/1066027448.db2.gz KCZHXDQQNGVTTQ-NQIIRXRSSA-N 0 0 450.888 4.842 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CCSCC(C)C)c1C ZINC001360878915 1066027768 /nfs/dbraw/zinc/02/77/68/1066027768.db2.gz CAXOMFMGNUFQJF-XUZZJYLKSA-N 0 0 498.697 4.736 20 0 JJADRN CC(C)(C)c1nnc2ccc(C(=O)Nc3ccc(I)cc3Cl)cn21 ZINC001441322111 1066027884 /nfs/dbraw/zinc/02/78/84/1066027884.db2.gz BGMJXCVNPUOCMR-UHFFFAOYSA-N 0 0 454.699 4.537 20 0 JJADRN COc1cc(NC(=O)c2cccc3[nH]c(C)nc32)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441321969 1066028072 /nfs/dbraw/zinc/02/80/72/1066028072.db2.gz MKEWQPNSVOKMIR-GJZGRUSLSA-N 0 0 450.539 4.544 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@H]3C)n2CCCOC2CCOCC2)c1C ZINC001360879057 1066028131 /nfs/dbraw/zinc/02/81/31/1066028131.db2.gz FLVFDOXDQUKZCC-CTNGQTDRSA-N 0 0 474.671 4.562 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC4(CCC4)C3)n2CCCOC(F)(F)F)c1C ZINC001360878945 1066028186 /nfs/dbraw/zinc/02/81/86/1066028186.db2.gz CRFKAAGZWYQWLA-IBGZPJMESA-N 0 0 482.547 4.968 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360879100 1066029024 /nfs/dbraw/zinc/02/90/24/1066029024.db2.gz FWRUWSUTCSJGJM-UNMCSNQZSA-N 0 0 487.714 4.918 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CCCC2(C)C)c1C ZINC001360879180 1066029492 /nfs/dbraw/zinc/02/94/92/1066029492.db2.gz HPFFGCGSNSMTEP-WWEVIYMKSA-N 0 0 496.574 4.744 20 0 JJADRN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001441336317 1066029950 /nfs/dbraw/zinc/02/99/50/1066029950.db2.gz ZBUGLTBDLUQSIR-UHFFFAOYSA-N 0 0 454.317 4.751 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1OC ZINC001441334329 1066030021 /nfs/dbraw/zinc/03/00/21/1066030021.db2.gz FAFLLFDXPBJDME-MZKRTTBSSA-N 0 0 460.615 4.726 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CCOC(C)C)c1C ZINC001360879472 1066030243 /nfs/dbraw/zinc/03/02/43/1066030243.db2.gz LMYWMYASRWIBMA-IRLDBZIGSA-N 0 0 498.628 4.544 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360879397 1066030272 /nfs/dbraw/zinc/03/02/72/1066030272.db2.gz KPASQZCFEDUAGJ-DDZAJARCSA-N 0 0 464.701 4.524 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCOC[C@@H]2C)c1C ZINC001360879463 1066030316 /nfs/dbraw/zinc/03/03/16/1066030316.db2.gz LKVJSSRJQFOFES-FKVLARQCSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)oc21 ZINC001441339925 1066030382 /nfs/dbraw/zinc/03/03/82/1066030382.db2.gz ZKCNBQABXOYACZ-UHFFFAOYSA-N 0 0 451.361 4.975 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC001441345693 1066031251 /nfs/dbraw/zinc/03/12/51/1066031251.db2.gz ZZCVRKCRTCANQI-LJQANCHMSA-N 0 0 459.775 4.613 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC001441351490 1066031859 /nfs/dbraw/zinc/03/18/59/1066031859.db2.gz WOGSZBKXMUBYMH-UHFFFAOYSA-N 0 0 454.504 4.583 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCOc2ncccc2F)c1C ZINC001360879911 1066031923 /nfs/dbraw/zinc/03/19/23/1066031923.db2.gz RSXSUDRFZUKQRP-OFNKIYASSA-N 0 0 483.588 4.509 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCSC(C)C)c1C ZINC001360880056 1066032317 /nfs/dbraw/zinc/03/23/17/1066032317.db2.gz VHVZCCDNDKUCCV-TYBLODHISA-N 0 0 474.671 4.561 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1C ZINC001360880118 1066032386 /nfs/dbraw/zinc/03/23/86/1066032386.db2.gz WHCGAMQWBXKAFA-KNQAVFIVSA-N 0 0 487.048 4.836 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1C ZINC001360880120 1066032427 /nfs/dbraw/zinc/03/24/27/1066032427.db2.gz WHCGAMQWBXKAFA-UGKGYDQZSA-N 0 0 487.048 4.836 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2CCOC2)c1C ZINC001360880163 1066032491 /nfs/dbraw/zinc/03/24/91/1066032491.db2.gz XCWVIPYCUOCIGM-FSSWDIPSSA-N 0 0 499.656 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@@H]2C)c1C ZINC001360880347 1066032673 /nfs/dbraw/zinc/03/26/73/1066032673.db2.gz ZTQYLNWEYVIVLO-KCLUMXDGSA-N 0 0 469.630 4.794 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001360880302 1066032860 /nfs/dbraw/zinc/03/28/60/1066032860.db2.gz ZCZAGKGJJZYIJB-RCCFBDPRSA-N 0 0 458.657 4.573 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCSc2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC001441355124 1066032743 /nfs/dbraw/zinc/03/27/43/1066032743.db2.gz RXDHAONWLZUYQB-DHLKQENFSA-N 0 0 454.636 4.992 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC2(O)CCCCCC2)c1C ZINC001360880218 1066032869 /nfs/dbraw/zinc/03/28/69/1066032869.db2.gz XUXIMWBTAHSNMD-VWNXMTODSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[C@H]2C[C@H](F)C2)c1C ZINC001360880305 1066032892 /nfs/dbraw/zinc/03/28/92/1066032892.db2.gz ZDAQTSXTHRFLNH-ODAXIHTASA-N 0 0 474.621 4.803 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCN2CCCCCC2=O)c1C ZINC001360880714 1066033652 /nfs/dbraw/zinc/03/36/52/1066033652.db2.gz BEMJORLKKOYEGM-FCEUIQTBSA-N 0 0 471.621 4.622 20 0 JJADRN Cc1onc(-c2cccs2)c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441360079 1066033989 /nfs/dbraw/zinc/03/39/89/1066033989.db2.gz NAAYXKKAFUMWFL-UHFFFAOYSA-N 0 0 450.347 4.617 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1 ZINC001360881571 1066034533 /nfs/dbraw/zinc/03/45/33/1066034533.db2.gz UTQJATCKHSAIKF-DCEDVJGZSA-N 0 0 454.636 4.966 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CCN(C)C(=O)OC(C)(C)C)cc1C ZINC001360881440 1066034573 /nfs/dbraw/zinc/03/45/73/1066034573.db2.gz MKXKXHGCQFOJNF-UHFFFAOYSA-N 0 0 482.629 4.561 20 0 JJADRN CC1(C)Oc2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4)ccc3Cl)cc2O1 ZINC001441364868 1066035026 /nfs/dbraw/zinc/03/50/26/1066035026.db2.gz NFYOINOWLIYMPU-UHFFFAOYSA-N 0 0 458.923 4.900 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1C ZINC001360881975 1066035329 /nfs/dbraw/zinc/03/53/29/1066035329.db2.gz TZYYBIPNGYOQIU-GMAHTHKFSA-N 0 0 451.615 4.755 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)cc2)n1 ZINC001441365802 1066035594 /nfs/dbraw/zinc/03/55/94/1066035594.db2.gz CEGDASIWOOLUNL-QFIPXVFZSA-N 0 0 457.361 4.648 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1 ZINC001360882484 1066035630 /nfs/dbraw/zinc/03/56/30/1066035630.db2.gz MGRIFAXWJMEJML-UHFFFAOYSA-N 0 0 450.988 4.619 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360882861 1066036074 /nfs/dbraw/zinc/03/60/74/1066036074.db2.gz BNVLFKKVNORWHW-IBGZPJMESA-N 0 0 485.604 4.971 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(Br)c3)n2CCN(C)CC(F)(F)F)CC1 ZINC001360882917 1066036087 /nfs/dbraw/zinc/03/60/87/1066036087.db2.gz DOCOHKVBXBOPGO-UHFFFAOYSA-N 0 0 472.353 4.748 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC001441377485 1066036363 /nfs/dbraw/zinc/03/63/63/1066036363.db2.gz VRTFYKIKRXHDTN-UHFFFAOYSA-N 0 0 453.558 4.752 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001441372820 1066036441 /nfs/dbraw/zinc/03/64/41/1066036441.db2.gz QGICCFLCFPGXPT-NRFANRHFSA-N 0 0 456.627 4.954 20 0 JJADRN Cc1c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)=C(C)C2)cnn1CC(C)C ZINC001360883275 1066036889 /nfs/dbraw/zinc/03/68/89/1066036889.db2.gz NPXYJXJWEBWVHT-UHFFFAOYSA-N 0 0 496.059 4.617 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCSC(F)(F)F)CC1 ZINC001360883191 1066036901 /nfs/dbraw/zinc/03/69/01/1066036901.db2.gz LOOSPRSFFBASPZ-UHFFFAOYSA-N 0 0 464.355 4.846 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC001441398435 1066037333 /nfs/dbraw/zinc/03/73/33/1066037333.db2.gz ONDOWJJSVAEHPO-MRXNPFEDSA-N 0 0 458.484 4.877 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC001441398432 1066037416 /nfs/dbraw/zinc/03/74/16/1066037416.db2.gz ONDOWJJSVAEHPO-INIZCTEOSA-N 0 0 458.484 4.877 20 0 JJADRN CC(C)NC(=O)Nc1ccc(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)cc1 ZINC001441400991 1066037974 /nfs/dbraw/zinc/03/79/74/1066037974.db2.gz AYBZXXNNDFSHHQ-UHFFFAOYSA-N 0 0 454.958 4.786 20 0 JJADRN CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001360883813 1066038137 /nfs/dbraw/zinc/03/81/37/1066038137.db2.gz XYKXFRQHJJHHGO-ZBLYBZFDSA-N 0 0 468.642 4.718 20 0 JJADRN Cc1sc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1Br ZINC001441406518 1066038309 /nfs/dbraw/zinc/03/83/09/1066038309.db2.gz MZRLOLNBGZOHKU-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001441405454 1066038324 /nfs/dbraw/zinc/03/83/24/1066038324.db2.gz MFLDBHKEPNMAHE-LEWJYISDSA-N 0 0 458.486 4.831 20 0 JJADRN Cc1c(Br)cccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001441404388 1066038368 /nfs/dbraw/zinc/03/83/68/1066038368.db2.gz KBIIBZCOMQRQCN-UHFFFAOYSA-N 0 0 459.365 4.740 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)C2)cc1 ZINC001360884160 1066038359 /nfs/dbraw/zinc/03/83/59/1066038359.db2.gz NFPPPACPUROBKT-QGZVFWFLSA-N 0 0 455.352 4.571 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)C2)cc1 ZINC001360884159 1066038404 /nfs/dbraw/zinc/03/84/04/1066038404.db2.gz NFPPPACPUROBKT-KRWDZBQOSA-N 0 0 455.352 4.571 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(I)cc3Cl)C2)cc1 ZINC001360884507 1066038830 /nfs/dbraw/zinc/03/88/30/1066038830.db2.gz WDJDEERMLPHSED-OAHLLOKOSA-N 0 0 454.739 4.652 20 0 JJADRN COc1ccc(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1N1CCCCC1=O ZINC001441413509 1066039125 /nfs/dbraw/zinc/03/91/25/1066039125.db2.gz GWNPLMHIIIYFIE-UHFFFAOYSA-N 0 0 452.555 4.693 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360884870 1066039283 /nfs/dbraw/zinc/03/92/83/1066039283.db2.gz JYDLLCVSQFYDOK-UHFFFAOYSA-N 0 0 478.410 4.698 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC001441416388 1066039268 /nfs/dbraw/zinc/03/92/68/1066039268.db2.gz DXWUMWWXQGSRHG-UHFFFAOYSA-N 0 0 459.276 4.655 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2([S@](C)=O)CC2)CC1 ZINC001360884941 1066039602 /nfs/dbraw/zinc/03/96/02/1066039602.db2.gz MIUCQPOJRFWXAK-YTTGMZPUSA-N 0 0 456.656 4.828 20 0 JJADRN CNC(=O)c1cc(Cl)ccc1NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001441419673 1066039728 /nfs/dbraw/zinc/03/97/28/1066039728.db2.gz YYLCXDHEGZXSSC-UHFFFAOYSA-N 0 0 451.995 4.846 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001360885113 1066039898 /nfs/dbraw/zinc/03/98/98/1066039898.db2.gz TVUARSVDMDJPTC-JOCHJYFZSA-N 0 0 457.372 4.755 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCn2cc(Cl)cn2)CC1 ZINC001360885143 1066040027 /nfs/dbraw/zinc/04/00/27/1066040027.db2.gz UTCRFRGNAUOJDG-UHFFFAOYSA-N 0 0 461.795 4.804 20 0 JJADRN C[C@@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1NS(C)(=O)=O ZINC001441423599 1066040029 /nfs/dbraw/zinc/04/00/29/1066040029.db2.gz MVNWQFMSIXYEKP-CYBMUJFWSA-N 0 0 457.379 4.595 20 0 JJADRN C[C@@H](NC(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(NC(N)=O)cc1 ZINC001441423717 1066040205 /nfs/dbraw/zinc/04/02/05/1066040205.db2.gz NMWDVQZUSACCMP-CYBMUJFWSA-N 0 0 455.312 4.618 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360886430 1066040655 /nfs/dbraw/zinc/04/06/55/1066040655.db2.gz WYKVVKPQGPSOOX-HXUWFJFHSA-N 0 0 477.613 4.591 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOCC(C)C)CC1 ZINC001360886437 1066040710 /nfs/dbraw/zinc/04/07/10/1066040710.db2.gz XESOUVRNOXYOKC-UHFFFAOYSA-N 0 0 478.641 4.845 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC[C@H]1c1ccccc1 ZINC001360886542 1066040758 /nfs/dbraw/zinc/04/07/58/1066040758.db2.gz AMFNEJDLZFHTKO-SIKLNZKXSA-N 0 0 450.966 4.847 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001360886903 1066040855 /nfs/dbraw/zinc/04/08/55/1066040855.db2.gz ITOIAOXCNWFOGK-DLBZAZTESA-N 0 0 458.530 4.538 20 0 JJADRN O=C(N[C@@H]1COc2ccccc2C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001441427333 1066040789 /nfs/dbraw/zinc/04/07/89/1066040789.db2.gz XJJJPMVZZYXYPO-ZDUSSCGKSA-N 0 0 455.358 4.643 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC001441427858 1066040947 /nfs/dbraw/zinc/04/09/47/1066040947.db2.gz ZFVXAIVSUHBBNA-PCCBWWKXSA-N 0 0 450.579 4.632 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CSCCS2)CC1 ZINC001360887629 1066041190 /nfs/dbraw/zinc/04/11/90/1066041190.db2.gz BJYUDNYOLDIBLC-WOJBJXKFSA-N 0 0 493.743 4.788 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 ZINC001360888300 1066041463 /nfs/dbraw/zinc/04/14/63/1066041463.db2.gz UGRYEKHAKJKMEY-NHCUHLMSSA-N 0 0 459.635 4.508 20 0 JJADRN CCCCCOc1ccc([C@H](C)NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441443881 1066041711 /nfs/dbraw/zinc/04/17/11/1066041711.db2.gz CHHUDDDAMQSSIX-KKSFZXQISA-N 0 0 452.567 4.646 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)=C(C)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360891681 1066043116 /nfs/dbraw/zinc/04/31/16/1066043116.db2.gz BLFNTZJDEFFVNX-QFIPXVFZSA-N 0 0 486.060 4.713 20 0 JJADRN CCOC(=O)N[C@H]1CCCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)C1 ZINC001441462867 1066043239 /nfs/dbraw/zinc/04/32/39/1066043239.db2.gz HADDRIRYCALWII-ZDUSSCGKSA-N 0 0 453.967 4.617 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001360892088 1066043682 /nfs/dbraw/zinc/04/36/82/1066043682.db2.gz KPEXXDCRNXGRJU-UHFFFAOYSA-N 0 0 451.615 4.505 20 0 JJADRN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360891884 1066043707 /nfs/dbraw/zinc/04/37/07/1066043707.db2.gz FTDCDFGUOFLABW-UHFFFAOYSA-N 0 0 465.598 4.798 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001360892142 1066043975 /nfs/dbraw/zinc/04/39/75/1066043975.db2.gz MVZBZKWKYVPXBM-UHFFFAOYSA-N 0 0 470.511 4.937 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CC(F)(F)c2ccccc2)CC1 ZINC001360892356 1066044269 /nfs/dbraw/zinc/04/42/69/1066044269.db2.gz VALRKYUPXQLAGN-UHFFFAOYSA-N 0 0 457.550 4.608 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001360892562 1066044506 /nfs/dbraw/zinc/04/45/06/1066044506.db2.gz DGZYPVUOIKQFOT-UHFFFAOYSA-N 0 0 459.472 4.587 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360892630 1066044791 /nfs/dbraw/zinc/04/47/91/1066044791.db2.gz GOMLFVQCLUAHAY-SZPZYZBQSA-N 0 0 483.661 4.581 20 0 JJADRN CCCCNc1nc(CC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cs1 ZINC001441476139 1066045032 /nfs/dbraw/zinc/04/50/32/1066045032.db2.gz TZSZPQPTACPUFJ-OAQYLSRUSA-N 0 0 454.665 4.875 20 0 JJADRN CSc1ccc([C@@H](CNC(=O)c2cnn(CC(C)C)c2)N2CCc3sccc3C2)cc1 ZINC001441476145 1066045069 /nfs/dbraw/zinc/04/50/69/1066045069.db2.gz UEZPDPZOIWWTIQ-JOCHJYFZSA-N 0 0 454.665 4.852 20 0 JJADRN Cc1ccc(SCc2nnc(N3CCC(C)=C(C)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001360892865 1066045320 /nfs/dbraw/zinc/04/53/20/1066045320.db2.gz PGZRPWIBPJZQNR-UHFFFAOYSA-N 0 0 457.644 4.950 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)C(N)=O ZINC001360893232 1066045535 /nfs/dbraw/zinc/04/55/35/1066045535.db2.gz DWYFYZPAUNKBNY-QGZVFWFLSA-N 0 0 451.379 4.537 20 0 JJADRN CCCC(=O)Nc1cccc(CNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001441490621 1066045964 /nfs/dbraw/zinc/04/59/64/1066045964.db2.gz CJGRLBRZCYEZSH-UHFFFAOYSA-N 0 0 457.596 4.710 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4c(Cl)cccc4nc3C)CC2)cc1F ZINC001441484652 1066046062 /nfs/dbraw/zinc/04/60/62/1066046062.db2.gz UTHJFAOMFPNPIZ-UHFFFAOYSA-N 0 0 453.945 4.813 20 0 JJADRN C[C@H](CNC(=O)c1cc2ccc(Br)cc2s1)N1CCN(c2ccccc2)CC1 ZINC001441492083 1066046333 /nfs/dbraw/zinc/04/63/33/1066046333.db2.gz IIMBBIKFVFXIQP-MRXNPFEDSA-N 0 0 458.425 4.604 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cccn4C)n3CC(F)(F)Br)C2)sc1C ZINC001360894066 1066046420 /nfs/dbraw/zinc/04/64/20/1066046420.db2.gz GPDUENJQWDSMIL-AWEZNQCLSA-N 0 0 485.402 4.729 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C(F)(F)F)cc3)CC2)oc1C ZINC001360894838 1066047132 /nfs/dbraw/zinc/04/71/32/1066047132.db2.gz WMRJOYYGADNGSC-UHFFFAOYSA-N 0 0 490.574 4.861 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360894789 1066047196 /nfs/dbraw/zinc/04/71/96/1066047196.db2.gz UVTIPQOOIQLBOE-QAPCUYQASA-N 0 0 485.658 4.644 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 ZINC001360895133 1066047588 /nfs/dbraw/zinc/04/75/88/1066047588.db2.gz RAFRTMFHXBQDAD-UHFFFAOYSA-N 0 0 452.885 4.749 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(Cc4cccnc4)n3C[C@@](C)(O)CCC(C)C)C2)sc1C ZINC001360895431 1066047961 /nfs/dbraw/zinc/04/79/61/1066047961.db2.gz BYMDFUXDADMEIL-NVQXNPDNSA-N 0 0 482.698 4.908 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(Cc4cccnc4)n3C[C@](C)(O)CCC(C)C)C2)sc1C ZINC001360895428 1066048035 /nfs/dbraw/zinc/04/80/35/1066048035.db2.gz BYMDFUXDADMEIL-ATIYNZHBSA-N 0 0 482.698 4.908 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C4CCCC4)n3CCCNC(=O)C(C)C)C2)sc1C ZINC001360895495 1066048106 /nfs/dbraw/zinc/04/81/06/1066048106.db2.gz FCNSLSGUUMHQIB-FQEVSTJZSA-N 0 0 458.676 4.555 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCCOCC2)sc1C ZINC001360895713 1066048301 /nfs/dbraw/zinc/04/83/01/1066048301.db2.gz JZUNCAKMRVGFMV-MRXNPFEDSA-N 0 0 462.019 4.614 20 0 JJADRN Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCC2)sc1C ZINC001360895717 1066048396 /nfs/dbraw/zinc/04/83/96/1066048396.db2.gz KBXPDEMAGHEXNC-UHFFFAOYSA-N 0 0 487.073 4.804 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441525994 1066048410 /nfs/dbraw/zinc/04/84/10/1066048410.db2.gz VGHDJLNKYBTDPR-JCQPUDPBSA-N 0 0 458.921 4.524 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)sc1C ZINC001360895591 1066048526 /nfs/dbraw/zinc/04/85/26/1066048526.db2.gz HKLKZDOASWNUPW-GDBMZVCRSA-N 0 0 461.632 4.815 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC001441534244 1066048885 /nfs/dbraw/zinc/04/88/85/1066048885.db2.gz VGBNYKTXIIHMFO-UZUQRXQVSA-N 0 0 459.011 4.544 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2nccs2)sc1C ZINC001360895833 1066048980 /nfs/dbraw/zinc/04/89/80/1066048980.db2.gz NDLURPHFZFFVHM-HNNXBMFYSA-N 0 0 472.615 4.966 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)C)n3CCCN(C)CC(F)(F)F)C2)sc1C ZINC001360895839 1066048991 /nfs/dbraw/zinc/04/89/91/1066048991.db2.gz NGNZMMUGVISWQV-SFHVURJKSA-N 0 0 472.625 4.818 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)sc1C ZINC001360895821 1066049013 /nfs/dbraw/zinc/04/90/13/1066049013.db2.gz MXLJBZTWTGPHJH-UHFFFAOYSA-N 0 0 488.061 4.621 20 0 JJADRN C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441539190 1066049128 /nfs/dbraw/zinc/04/91/28/1066049128.db2.gz KKYWKJQPAJUOBN-HNNXBMFYSA-N 0 0 454.621 4.798 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC(F)(F)CO3)C2)sc1C ZINC001360896010 1066049292 /nfs/dbraw/zinc/04/92/92/1066049292.db2.gz QZMBCKHOTXZCGM-IAGOWNOFSA-N 0 0 453.603 4.748 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360896028 1066049432 /nfs/dbraw/zinc/04/94/32/1066049432.db2.gz RMXRPFPRDAGYDN-YJBOKZPZSA-N 0 0 461.632 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001545942741 1066049707 /nfs/dbraw/zinc/04/97/07/1066049707.db2.gz FWIGMDVLZOBJPC-NJDAHSKKSA-N 0 0 475.678 4.916 20 0 JJADRN COc1cc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)ccc1OCC(F)(F)F ZINC001441552218 1066050074 /nfs/dbraw/zinc/05/00/74/1066050074.db2.gz XKCLNDVPURXPHY-UHFFFAOYSA-N 0 0 453.848 4.714 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC4CC4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360896281 1066050108 /nfs/dbraw/zinc/05/01/08/1066050108.db2.gz ZUBSBGXLALNRIR-DNVCBOLYSA-N 0 0 474.675 4.601 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC(F)C2)sc1C ZINC001360896236 1066050278 /nfs/dbraw/zinc/05/02/78/1066050278.db2.gz YEDFAYJFHFHHJM-UHFFFAOYSA-N 0 0 481.439 4.546 20 0 JJADRN Cc1nc(CCn2c(-c3cccnc3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc1C ZINC001360898258 1066051007 /nfs/dbraw/zinc/05/10/07/1066051007.db2.gz PJGLFYQYDDOVTK-UHFFFAOYSA-N 0 0 490.477 4.977 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2)n1 ZINC001441561780 1066051129 /nfs/dbraw/zinc/05/11/29/1066051129.db2.gz LYYLXGBNPQPRJC-UHFFFAOYSA-N 0 0 459.978 4.620 20 0 JJADRN Cc1nc(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)sc1C ZINC001360898723 1066051452 /nfs/dbraw/zinc/05/14/52/1066051452.db2.gz AMFHLKWBYWHPAI-VWLOTQADSA-N 0 0 471.646 4.965 20 0 JJADRN Cc1nc(CCn2c(C3CCCC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)sc1C ZINC001360898508 1066051515 /nfs/dbraw/zinc/05/15/15/1066051515.db2.gz UHGOUSFAITZQBZ-UHFFFAOYSA-N 0 0 474.675 4.556 20 0 JJADRN Cc1nc(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)sc1C ZINC001360898722 1066051579 /nfs/dbraw/zinc/05/15/79/1066051579.db2.gz AMFHLKWBYWHPAI-RUZDIDTESA-N 0 0 471.646 4.965 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)sc1C ZINC001360898796 1066051854 /nfs/dbraw/zinc/05/18/54/1066051854.db2.gz DABSQTYLBQABGG-KRWDZBQOSA-N 0 0 469.655 4.696 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)c1 ZINC001441592572 1066052159 /nfs/dbraw/zinc/05/21/59/1066052159.db2.gz NXNZLGXMAIYNAP-UZXDDYOISA-N 0 0 458.558 4.786 20 0 JJADRN Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2cccs2)sc1C ZINC001360898974 1066052275 /nfs/dbraw/zinc/05/22/75/1066052275.db2.gz GXBZKQCCJQTQAX-HNNXBMFYSA-N 0 0 486.692 4.845 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCSC2)sc1C ZINC001360899370 1066052724 /nfs/dbraw/zinc/05/27/24/1066052724.db2.gz MHHKGAUNVYLBLD-QGZVFWFLSA-N 0 0 464.060 4.768 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)NCCc3ccc(OC(F)(F)F)cc3)cc21 ZINC001441605048 1066052887 /nfs/dbraw/zinc/05/28/87/1066052887.db2.gz ZRBGVNCZYJSZCT-UHFFFAOYSA-N 0 0 457.246 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC001441600714 1066053045 /nfs/dbraw/zinc/05/30/45/1066053045.db2.gz PEXYPKDNVSTAEO-SFHVURJKSA-N 0 0 450.457 4.783 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccn(CCc3ccccc3)n2)CC1 ZINC001441610012 1066053304 /nfs/dbraw/zinc/05/33/04/1066053304.db2.gz DRIBYCICTOGIDQ-RUZDIDTESA-N 0 0 459.590 4.715 20 0 JJADRN C[C@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC001441610235 1066053740 /nfs/dbraw/zinc/05/37/40/1066053740.db2.gz VAEUZCHNVREDBR-KSFYIVLOSA-N 0 0 451.567 4.651 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)CCOCC1 ZINC001360900227 1066053898 /nfs/dbraw/zinc/05/38/98/1066053898.db2.gz AHFQYCISGNJUOB-OAHLLOKOSA-N 0 0 459.612 4.824 20 0 JJADRN CC[C@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1cccc(C)c1 ZINC001441617972 1066054468 /nfs/dbraw/zinc/05/44/68/1066054468.db2.gz WHTNHDSGPRXGRS-QVKFZJNVSA-N 0 0 452.498 4.719 20 0 JJADRN CC[C@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1cccc(C)c1 ZINC001441617989 1066054523 /nfs/dbraw/zinc/05/45/23/1066054523.db2.gz WHTNHDSGPRXGRS-VFNWGFHPSA-N 0 0 452.498 4.719 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC001441617161 1066054588 /nfs/dbraw/zinc/05/45/88/1066054588.db2.gz XVKVONYIVFISCP-QHCPKHFHSA-N 0 0 453.579 4.612 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1cccc(C)c1 ZINC001441618008 1066054643 /nfs/dbraw/zinc/05/46/43/1066054643.db2.gz WHTNHDSGPRXGRS-YCRPNKLZSA-N 0 0 452.498 4.719 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)sc1C ZINC001360901134 1066054768 /nfs/dbraw/zinc/05/47/68/1066054768.db2.gz GKYKGMGABPCRHN-QRWLVFNGSA-N 0 0 487.073 4.998 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CC=CCC2)sc1C ZINC001360901553 1066054902 /nfs/dbraw/zinc/05/49/02/1066054902.db2.gz UPGDLNDFQKNISP-IBGZPJMESA-N 0 0 485.057 4.776 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)c2ccco2)sc1C ZINC001360901400 1066054947 /nfs/dbraw/zinc/05/49/47/1066054947.db2.gz PVGIYPFUJPZKOR-ZDUSSCGKSA-N 0 0 475.416 4.958 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)/C(=C\c3cccnc3)NC(=O)c3ccccc3)cn2)cc1 ZINC001441618467 1066054987 /nfs/dbraw/zinc/05/49/87/1066054987.db2.gz RUNJALSEDCVJAP-LFVJCYFKSA-N 0 0 450.498 4.987 20 0 JJADRN Cc1nc(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)sc1C ZINC001360901655 1066055330 /nfs/dbraw/zinc/05/53/30/1066055330.db2.gz XXACMUIXJUSIKY-UHFFFAOYSA-N 0 0 464.561 4.869 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCOC(C)(C)C)sc1C ZINC001360901709 1066055570 /nfs/dbraw/zinc/05/55/70/1066055570.db2.gz ZDIFFZGKYYVKGE-INIZCTEOSA-N 0 0 461.607 4.930 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC001441626952 1066055782 /nfs/dbraw/zinc/05/57/82/1066055782.db2.gz SMQSAOAOCQOWSP-AVRDEDQJSA-N 0 0 454.567 4.642 20 0 JJADRN CCOc1cc(NC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)ccc1OC ZINC001441626572 1066055878 /nfs/dbraw/zinc/05/58/78/1066055878.db2.gz RIAGOPNUGNXEGF-FXVOITISSA-N 0 0 450.601 4.602 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001441626222 1066055893 /nfs/dbraw/zinc/05/58/93/1066055893.db2.gz UQZVJRONGSNNHO-UHFFFAOYSA-N 0 0 454.586 4.704 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC001441626956 1066056023 /nfs/dbraw/zinc/05/60/23/1066056023.db2.gz SMQSAOAOCQOWSP-GCJKJVERSA-N 0 0 454.567 4.642 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)CC2)cc1Cl ZINC001441628061 1066056289 /nfs/dbraw/zinc/05/62/89/1066056289.db2.gz XABHASMSMOPKRU-MRXNPFEDSA-N 0 0 450.366 4.754 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC001441626968 1066056343 /nfs/dbraw/zinc/05/63/43/1066056343.db2.gz SMQSAOAOCQOWSP-XMSQKQJNSA-N 0 0 454.567 4.642 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccn2)sc1C ZINC001360902725 1066056291 /nfs/dbraw/zinc/05/62/91/1066056291.db2.gz NGRDBZJDGVARMP-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC001360902639 1066056306 /nfs/dbraw/zinc/05/63/06/1066056306.db2.gz QHKTVLFGZSTVGO-GOSISDBHSA-N 0 0 453.468 4.894 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)[C@H](C)C2)sc1C ZINC001360902938 1066056407 /nfs/dbraw/zinc/05/64/07/1066056407.db2.gz QJVWPSRGKSXNDC-GHMZBOCLSA-N 0 0 452.447 4.983 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)c2[nH]nc(CC)c2Br)cc1 ZINC001441634944 1066056760 /nfs/dbraw/zinc/05/67/60/1066056760.db2.gz ABKJSDCEWCBIGH-UHFFFAOYSA-N 0 0 459.344 4.641 20 0 JJADRN COc1cc(/C=C(\C(=O)Nc2ccc(OCc3nccn3C)cc2)c2ccccc2)ccc1O ZINC001441645928 1066057130 /nfs/dbraw/zinc/05/71/30/1066057130.db2.gz DZWIGHZOTCNLBI-KQWNVCNZSA-N 0 0 455.514 4.893 20 0 JJADRN CC(C)(C)c1ccc(O)c(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001545943464 1066057178 /nfs/dbraw/zinc/05/71/78/1066057178.db2.gz FVYOEDZOMAMKRR-UHFFFAOYSA-N 0 0 454.386 4.643 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)/C(=C\c2cccs2)NC(C)=O)cc1 ZINC001441645894 1066057219 /nfs/dbraw/zinc/05/72/19/1066057219.db2.gz USEDFUHYRNNBHW-PXLXIMEGSA-N 0 0 451.548 4.518 20 0 JJADRN CCN(Cc1ccccc1NC(=O)c1ccc(Br)[nH]c1=O)C(=O)OC(C)(C)C ZINC001441648397 1066057276 /nfs/dbraw/zinc/05/72/76/1066057276.db2.gz FGTXLQOIPMJJPZ-UHFFFAOYSA-N 0 0 450.333 4.559 20 0 JJADRN Cc1nc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)sc1C ZINC001360903941 1066057488 /nfs/dbraw/zinc/05/74/88/1066057488.db2.gz ABEKVCSTFFPPPR-AWEZNQCLSA-N 0 0 453.509 4.750 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441651841 1066057523 /nfs/dbraw/zinc/05/75/23/1066057523.db2.gz PNUCMWIORUVNJI-MOPGFXCFSA-N 0 0 456.587 4.611 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441651849 1066057588 /nfs/dbraw/zinc/05/75/88/1066057588.db2.gz PNUCMWIORUVNJI-RTBURBONSA-N 0 0 456.587 4.611 20 0 JJADRN CCN(Cc1ccccc1NC(=O)[C@H]1CCN1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC001441651049 1066057667 /nfs/dbraw/zinc/05/76/67/1066057667.db2.gz MGWCKUDATLBLRC-HSZRJFAPSA-N 0 0 453.583 4.665 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCC1(c2cccs2)CCCCC1 ZINC001360904307 1066058036 /nfs/dbraw/zinc/05/80/36/1066058036.db2.gz YKXUUFKIJLXBSH-SFHVURJKSA-N 0 0 459.999 4.625 20 0 JJADRN C[C@H]1CN(Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC001441659521 1066058488 /nfs/dbraw/zinc/05/84/88/1066058488.db2.gz PZIIZUGIOJJRIO-STQMWFEESA-N 0 0 450.402 4.645 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441662625 1066058782 /nfs/dbraw/zinc/05/87/82/1066058782.db2.gz MAPYNNNHXWWKCG-SFZZKXPISA-N 0 0 454.979 4.526 20 0 JJADRN Cc1nc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360904974 1066058694 /nfs/dbraw/zinc/05/86/94/1066058694.db2.gz IOMHGAHJLFWIGI-QGZVFWFLSA-N 0 0 462.417 4.650 20 0 JJADRN Cc1nc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C)C2)sc1C ZINC001360905007 1066058868 /nfs/dbraw/zinc/05/88/68/1066058868.db2.gz JQAREMZNWZAYOC-CYBMUJFWSA-N 0 0 450.033 4.571 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1OCCC(C)C ZINC001441668550 1066059401 /nfs/dbraw/zinc/05/94/01/1066059401.db2.gz DXOHONDLNQOSAZ-MRXNPFEDSA-N 0 0 451.523 4.730 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 ZINC001441668551 1066059489 /nfs/dbraw/zinc/05/94/89/1066059489.db2.gz GYEGZYAWOVYBJW-UHFFFAOYSA-N 0 0 459.615 4.989 20 0 JJADRN COc1cccc(Oc2ccc(CNC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cn2)c1 ZINC001441670383 1066059610 /nfs/dbraw/zinc/05/96/10/1066059610.db2.gz ISARVKQSSANUMZ-IBGZPJMESA-N 0 0 457.571 4.828 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)sc1C ZINC001360905528 1066059686 /nfs/dbraw/zinc/05/96/86/1066059686.db2.gz SWVBPPNYSCRYDE-KRWDZBQOSA-N 0 0 469.655 4.891 20 0 JJADRN COc1cccc(Oc2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cn2)c1 ZINC001441672815 1066059976 /nfs/dbraw/zinc/05/99/76/1066059976.db2.gz PXUANKBEIZUVOC-UHFFFAOYSA-N 0 0 455.555 4.536 20 0 JJADRN O=C(Nc1cccc(COCc2ccco2)c1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001441678452 1066060186 /nfs/dbraw/zinc/06/01/86/1066060186.db2.gz HEDXZSFOKHDGFF-PCLIKHOPSA-N 0 0 453.498 4.801 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC001441675980 1066060259 /nfs/dbraw/zinc/06/02/59/1066060259.db2.gz QXRDDHSUQYPDCC-UHFFFAOYSA-N 0 0 454.423 4.774 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC001441678464 1066060347 /nfs/dbraw/zinc/06/03/47/1066060347.db2.gz HJBVJDDNKVPTCI-QHCPKHFHSA-N 0 0 456.652 4.860 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441682185 1066060653 /nfs/dbraw/zinc/06/06/53/1066060653.db2.gz NQWSNGKNROZSHH-JWHUVLAVSA-N 0 0 452.599 4.671 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441682187 1066060750 /nfs/dbraw/zinc/06/07/50/1066060750.db2.gz NQWSNGKNROZSHH-KYFVDPIZSA-N 0 0 452.599 4.671 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001441680533 1066060839 /nfs/dbraw/zinc/06/08/39/1066060839.db2.gz JBEDNWDQILUOEI-LVXARBLLSA-N 0 0 452.599 4.505 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001360906704 1066060855 /nfs/dbraw/zinc/06/08/55/1066060855.db2.gz WADMIQWJMHXEKB-UHFFFAOYSA-N 0 0 450.627 4.578 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001492597680 1066060902 /nfs/dbraw/zinc/06/09/02/1066060902.db2.gz DDHAZCKPFYWYGV-ANULTFPQSA-N 0 0 487.620 4.920 20 0 JJADRN COc1cc(Br)c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1OC ZINC001441682201 1066061201 /nfs/dbraw/zinc/06/12/01/1066061201.db2.gz NVSGCWIVNPICLQ-UHFFFAOYSA-N 0 0 458.356 4.561 20 0 JJADRN CCN(Cc1ccc(OC)cc1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441694733 1066061955 /nfs/dbraw/zinc/06/19/55/1066061955.db2.gz VXXBNOHDIWJPGB-UHFFFAOYSA-N 0 0 458.558 4.973 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC(N)=O)n1CCCC(C)(C)C ZINC001360907595 1066062044 /nfs/dbraw/zinc/06/20/44/1066062044.db2.gz KYJNCGDUKCXRAB-MRXNPFEDSA-N 0 0 454.644 4.903 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC001441699382 1066062565 /nfs/dbraw/zinc/06/25/65/1066062565.db2.gz ZUODRMXNZFJRGC-HSZRJFAPSA-N 0 0 459.468 4.782 20 0 JJADRN Cc1nc(N2CCN(c3nnc(COc4ccccc4F)n3CCCC(F)(F)F)CC2)sc1C ZINC001360908029 1066063064 /nfs/dbraw/zinc/06/30/64/1066063064.db2.gz YHAKYXJRHGKGFQ-UHFFFAOYSA-N 0 0 498.550 4.739 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CC(C)C ZINC001360908103 1066063156 /nfs/dbraw/zinc/06/31/56/1066063156.db2.gz BIWDIGSYVNOEER-UHFFFAOYSA-N 0 0 472.634 4.757 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1CCC(C)(C)C1CC1 ZINC001360908325 1066063595 /nfs/dbraw/zinc/06/35/95/1066063595.db2.gz IBFBCUDTOYZJOW-UHFFFAOYSA-N 0 0 490.718 4.624 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CC1([S@](C)=O)CCC1 ZINC001360908395 1066063783 /nfs/dbraw/zinc/06/37/83/1066063783.db2.gz JHVHHNPTKHFDGT-YTTGMZPUSA-N 0 0 479.622 4.770 20 0 JJADRN O=C(NCc1nc(-c2ccccc2)cs1)c1cc(Br)cnc1Br ZINC001441714193 1066063860 /nfs/dbraw/zinc/06/38/60/1066063860.db2.gz UJANKWPWAGIIGF-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001441722125 1066064304 /nfs/dbraw/zinc/06/43/04/1066064304.db2.gz HPLLXDNKVMOVHJ-GOSISDBHSA-N 0 0 457.958 4.957 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCCCCO)n1Cc1ccc(F)cn1 ZINC001360908702 1066064428 /nfs/dbraw/zinc/06/44/28/1066064428.db2.gz PIFVUYSNDDKREL-UHFFFAOYSA-N 0 0 466.586 4.558 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1CCC(C)(C)C1CC1 ZINC001360908830 1066064462 /nfs/dbraw/zinc/06/44/62/1066064462.db2.gz ROZZLKFHGRYQTC-UHFFFAOYSA-N 0 0 486.608 4.762 20 0 JJADRN Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1F ZINC001441729700 1066064683 /nfs/dbraw/zinc/06/46/83/1066064683.db2.gz VHNUPSSMJQKNSX-UHFFFAOYSA-N 0 0 451.445 4.569 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1CC[C@H](C)c1ccccc1 ZINC001360909001 1066064861 /nfs/dbraw/zinc/06/48/61/1066064861.db2.gz URTGMJWDUNQUCJ-IBGZPJMESA-N 0 0 468.671 4.833 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC001441733791 1066065257 /nfs/dbraw/zinc/06/52/57/1066065257.db2.gz KBMFOQWEYPIPDO-UHFFFAOYSA-N 0 0 458.440 4.900 20 0 JJADRN Cc1sc(NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)nc1-c1ccccc1 ZINC001441732462 1066065358 /nfs/dbraw/zinc/06/53/58/1066065358.db2.gz KYYSWTMSIYGWKS-HSZRJFAPSA-N 0 0 456.568 4.603 20 0 JJADRN CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC001441737370 1066065677 /nfs/dbraw/zinc/06/56/77/1066065677.db2.gz CFQMKCUDVFTAPJ-UHFFFAOYSA-N 0 0 459.521 4.679 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCCCO ZINC001360910484 1066066613 /nfs/dbraw/zinc/06/66/13/1066066613.db2.gz HTORXXMZYPVXBX-KRWDZBQOSA-N 0 0 455.628 4.543 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCCCCO ZINC001360910485 1066066628 /nfs/dbraw/zinc/06/66/28/1066066628.db2.gz HTORXXMZYPVXBX-QGZVFWFLSA-N 0 0 455.628 4.543 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001545944335 1066066894 /nfs/dbraw/zinc/06/68/94/1066066894.db2.gz DREXYRKAWOWWPZ-IYBDPMFKSA-N 0 0 490.574 4.787 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCCCCO ZINC001360910706 1066067008 /nfs/dbraw/zinc/06/70/08/1066067008.db2.gz NJPJLZWINCGAQE-IAGOWNOFSA-N 0 0 457.669 4.870 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001441749712 1066067723 /nfs/dbraw/zinc/06/77/23/1066067723.db2.gz NOSSRRTWABTJJU-OAHLLOKOSA-N 0 0 450.322 4.929 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001441752147 1066067762 /nfs/dbraw/zinc/06/77/62/1066067762.db2.gz QXRNOGLZXUJSJI-BBRMVZONSA-N 0 0 455.502 4.852 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCC2(C)C)n1CC(C)(C)C(F)(F)F ZINC001360911050 1066067748 /nfs/dbraw/zinc/06/77/48/1066067748.db2.gz VEPOQRFHILNAKR-UHFFFAOYSA-N 0 0 472.581 4.514 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360911172 1066068168 /nfs/dbraw/zinc/06/81/68/1066068168.db2.gz FAMQZZULABLBGK-AVRDEDQJSA-N 0 0 473.021 4.597 20 0 JJADRN COC(=O)C[C@@H](C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC001441765951 1066068583 /nfs/dbraw/zinc/06/85/83/1066068583.db2.gz PTTDDUAJOBULPT-SECBINFHSA-N 0 0 454.392 4.909 20 0 JJADRN CC(C)COc1cccc(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)c1 ZINC001441763409 1066068673 /nfs/dbraw/zinc/06/86/73/1066068673.db2.gz ZKMAORWTNXJLJN-LJQANCHMSA-N 0 0 457.575 4.527 20 0 JJADRN C[S@](=O)c1ccc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC001441769439 1066068699 /nfs/dbraw/zinc/06/86/99/1066068699.db2.gz YWPCIFIWSLOFMS-PMERELPUSA-N 0 0 454.495 4.551 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2F)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360912833 1066069401 /nfs/dbraw/zinc/06/94/01/1066069401.db2.gz CYZYYJRPNIRZGN-UHFFFAOYSA-N 0 0 497.619 4.632 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCCO)CC1 ZINC001360912772 1066069427 /nfs/dbraw/zinc/06/94/27/1066069427.db2.gz BHHDFWOCPZENHS-UHFFFAOYSA-N 0 0 477.440 4.905 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CCOCC1 ZINC001360913052 1066069830 /nfs/dbraw/zinc/06/98/30/1066069830.db2.gz KQPRPQJDWPEYQL-UHFFFAOYSA-N 0 0 463.413 4.779 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001441792941 1066069779 /nfs/dbraw/zinc/06/97/79/1066069779.db2.gz TUUIKJBDKJJNCF-HSZRJFAPSA-N 0 0 456.608 4.989 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1CN1CCc2ccccc21 ZINC001441797122 1066070248 /nfs/dbraw/zinc/07/02/48/1066070248.db2.gz IAMFJAKFBGTPRB-UHFFFAOYSA-N 0 0 453.464 4.637 20 0 JJADRN CCC(CC)C(=O)N1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC001441798803 1066070390 /nfs/dbraw/zinc/07/03/90/1066070390.db2.gz OJGCSSMRNGRTFB-UHFFFAOYSA-N 0 0 452.624 4.861 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC001441806968 1066070657 /nfs/dbraw/zinc/07/06/57/1066070657.db2.gz ADRMCNGBLMWOOK-UHFFFAOYSA-N 0 0 457.155 4.642 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360914752 1066070778 /nfs/dbraw/zinc/07/07/78/1066070778.db2.gz MDYWIBXIZQSGSS-UHFFFAOYSA-N 0 0 461.408 4.667 20 0 JJADRN CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)[C@H](C)c1ccc(F)cc1 ZINC001441806540 1066070683 /nfs/dbraw/zinc/07/06/83/1066070683.db2.gz AAIALDQKFZKXET-LJQANCHMSA-N 0 0 454.567 4.836 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360914840 1066071121 /nfs/dbraw/zinc/07/11/21/1066071121.db2.gz PFGOYDCICRLMSL-UKILVPOCSA-N 0 0 450.631 4.745 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC001360915631 1066071385 /nfs/dbraw/zinc/07/13/85/1066071385.db2.gz MUGUUYVZWCQXPG-NKRSRWBGSA-N 0 0 452.599 4.865 20 0 JJADRN C[C@H](C(=O)N1CCCN(C)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC001360915376 1066071453 /nfs/dbraw/zinc/07/14/53/1066071453.db2.gz FGOQRVVNWZWXHG-ZDUSSCGKSA-N 0 0 454.739 4.921 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001360916167 1066071886 /nfs/dbraw/zinc/07/18/86/1066071886.db2.gz DBLKCWSAXMIQEC-WBVHZDCISA-N 0 0 473.419 4.519 20 0 JJADRN COc1ccccc1CN(C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)C1CC1 ZINC001441812953 1066071973 /nfs/dbraw/zinc/07/19/73/1066071973.db2.gz KZVGDLRXCDHXCX-UHFFFAOYSA-N 0 0 455.555 4.603 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001441812197 1066072077 /nfs/dbraw/zinc/07/20/77/1066072077.db2.gz OLUKESRPANXFSM-AWEZNQCLSA-N 0 0 450.764 4.605 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001441812201 1066072094 /nfs/dbraw/zinc/07/20/94/1066072094.db2.gz OLUKESRPANXFSM-CQSZACIVSA-N 0 0 450.764 4.605 20 0 JJADRN CCOc1c(Cl)cc(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1OC ZINC001441813102 1066072183 /nfs/dbraw/zinc/07/21/83/1066072183.db2.gz LNKXCBLECHDGFS-UHFFFAOYSA-N 0 0 451.748 4.850 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC001441815073 1066072578 /nfs/dbraw/zinc/07/25/78/1066072578.db2.gz SFHQWGTUEDSFQW-SFHVURJKSA-N 0 0 454.577 4.675 20 0 JJADRN CC(C)n1nc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c2ccccc2c1=O ZINC001360917059 1066072556 /nfs/dbraw/zinc/07/25/56/1066072556.db2.gz HJHKNBMJPIOMHO-UHFFFAOYSA-N 0 0 454.368 4.544 20 0 JJADRN COc1ccccc1CN(C(=O)c1cc(Br)cc(Br)c1N)C1CC1 ZINC001441817599 1066073074 /nfs/dbraw/zinc/07/30/74/1066073074.db2.gz RLYZXXDKLRTAGD-UHFFFAOYSA-N 0 0 454.162 4.607 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001441820834 1066073414 /nfs/dbraw/zinc/07/34/14/1066073414.db2.gz PZTQQBDZCUYKCV-AWRVRSSQSA-N 0 0 455.599 4.843 20 0 JJADRN C[C@@H](NC(=O)c1cccc2[nH]c(C(F)F)nc21)c1cc2c(cc1Br)OCCO2 ZINC001441820505 1066073524 /nfs/dbraw/zinc/07/35/24/1066073524.db2.gz PPARXVZAUKLFPG-SECBINFHSA-N 0 0 452.255 4.525 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360917982 1066073443 /nfs/dbraw/zinc/07/34/43/1066073443.db2.gz GDDXIPDNTZBITP-GOSISDBHSA-N 0 0 476.444 4.576 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360918031 1066073469 /nfs/dbraw/zinc/07/34/69/1066073469.db2.gz GRVZQBDWCFVWGN-CYBMUJFWSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360917983 1066073538 /nfs/dbraw/zinc/07/35/38/1066073538.db2.gz GDDXIPDNTZBITP-SFHVURJKSA-N 0 0 476.444 4.576 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360918197 1066073893 /nfs/dbraw/zinc/07/38/93/1066073893.db2.gz LWYRWNSQVOITHI-PMACEKPBSA-N 0 0 499.656 4.863 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001360918542 1066074144 /nfs/dbraw/zinc/07/41/44/1066074144.db2.gz VPXMDECOEQEERH-GOSISDBHSA-N 0 0 473.618 4.818 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360918366 1066074255 /nfs/dbraw/zinc/07/42/55/1066074255.db2.gz QAGDOASUHYXJMP-KXBFYZLASA-N 0 0 484.519 4.937 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc1Cl ZINC001441824447 1066074494 /nfs/dbraw/zinc/07/44/94/1066074494.db2.gz OQBUAJCMVNVMCJ-DYESRHJHSA-N 0 0 453.970 4.736 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360918620 1066074725 /nfs/dbraw/zinc/07/47/25/1066074725.db2.gz XNHHJHIBIDUPIV-SFHVURJKSA-N 0 0 485.629 4.652 20 0 JJADRN CC[C@H]1CCc2nc(NC(=O)c3cn4cc(CNC(=O)OC(C)(C)C)ccc4n3)sc2C1 ZINC001441843650 1066074976 /nfs/dbraw/zinc/07/49/76/1066074976.db2.gz QDRSVZYDDSMSPS-AWEZNQCLSA-N 0 0 455.584 4.583 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)C1 ZINC001360919810 1066075080 /nfs/dbraw/zinc/07/50/80/1066075080.db2.gz BWZDJEDOOCKKIB-LBPRGKRZSA-N 0 0 482.448 4.796 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001360919781 1066075100 /nfs/dbraw/zinc/07/51/00/1066075100.db2.gz BALSHTRYNQEYCO-KBPBESRZSA-N 0 0 467.458 4.995 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1 ZINC001360919876 1066075577 /nfs/dbraw/zinc/07/55/77/1066075577.db2.gz DPOQVZXQDSALDI-UHFFFAOYSA-N 0 0 493.431 4.947 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001360919967 1066075635 /nfs/dbraw/zinc/07/56/35/1066075635.db2.gz HYFYJOLJFADPJM-NRFANRHFSA-N 0 0 481.666 4.684 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001360920454 1066076774 /nfs/dbraw/zinc/07/67/74/1066076774.db2.gz XBGOMHBEOLVKOU-LJQANCHMSA-N 0 0 469.630 4.685 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(=O)NC(C)C ZINC001360920585 1066077027 /nfs/dbraw/zinc/07/70/27/1066077027.db2.gz YDGCTROLKVFIDL-UHFFFAOYSA-N 0 0 498.653 4.781 20 0 JJADRN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001441882873 1066077270 /nfs/dbraw/zinc/07/72/70/1066077270.db2.gz HJUJYJMHYOWQSV-KGLIPLIRSA-N 0 0 452.281 4.822 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)(F)F ZINC001360922027 1066077643 /nfs/dbraw/zinc/07/76/43/1066077643.db2.gz SGPUMCXPFHHGLO-UHFFFAOYSA-N 0 0 462.501 4.996 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001441885812 1066077816 /nfs/dbraw/zinc/07/78/16/1066077816.db2.gz NSXPZPFWXHDNPR-OFAXGOBFSA-N 0 0 456.558 4.988 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1C ZINC001441884669 1066077827 /nfs/dbraw/zinc/07/78/27/1066077827.db2.gz KOSZPOZQXVZWIP-UHFFFAOYSA-N 0 0 453.495 4.956 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001360922727 1066077868 /nfs/dbraw/zinc/07/78/68/1066077868.db2.gz ALDNYDZUBBPIJA-UHFFFAOYSA-N 0 0 481.666 4.794 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC(OCC3CC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001360922653 1066077975 /nfs/dbraw/zinc/07/79/75/1066077975.db2.gz YYAQBNQVVKAIHS-YADHBBJMSA-N 0 0 463.018 4.708 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001360922856 1066078216 /nfs/dbraw/zinc/07/82/16/1066078216.db2.gz FENNYULQQZLDCM-LJQANCHMSA-N 0 0 468.671 4.530 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001360923370 1066078805 /nfs/dbraw/zinc/07/88/05/1066078805.db2.gz QOYUATCEEKZEQR-UHFFFAOYSA-N 0 0 453.656 4.751 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001360923450 1066079054 /nfs/dbraw/zinc/07/90/54/1066079054.db2.gz UAANYJCNZCYNPI-IBGZPJMESA-N 0 0 477.581 4.664 20 0 JJADRN Cc1c(N)c(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)ccc1Br ZINC001441890882 1066079136 /nfs/dbraw/zinc/07/91/36/1066079136.db2.gz JPGHFWLKOMTFBC-UHFFFAOYSA-N 0 0 456.315 4.661 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360923382 1066079131 /nfs/dbraw/zinc/07/91/31/1066079131.db2.gz QWNCEGDZSFDLIL-LJQANCHMSA-N 0 0 459.704 4.856 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360923411 1066079178 /nfs/dbraw/zinc/07/91/78/1066079178.db2.gz RPPJCFOQGMYAAM-PZJWPPBQSA-N 0 0 473.687 4.509 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc1Cl)C1CCCCC1 ZINC001441892657 1066079546 /nfs/dbraw/zinc/07/95/46/1066079546.db2.gz PRBALZDNBQYUIE-UNMCSNQZSA-N 0 0 454.954 4.988 20 0 JJADRN C[C@]1(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC(c2cccc(Cl)c2F)=NO1 ZINC001441892317 1066079742 /nfs/dbraw/zinc/07/97/42/1066079742.db2.gz OYNHBMSZDGGQDT-XMMPIXPASA-N 0 0 453.901 4.653 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001360923782 1066079989 /nfs/dbraw/zinc/07/99/89/1066079989.db2.gz DAKIFMZVRFOZDZ-UHFFFAOYSA-N 0 0 474.634 4.568 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Br)c(C)c3N)c2)cc1 ZINC001441898218 1066080019 /nfs/dbraw/zinc/08/00/19/1066080019.db2.gz WMOQLXOSPKQDSC-UHFFFAOYSA-N 0 0 452.352 4.830 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC001441896230 1066080206 /nfs/dbraw/zinc/08/02/06/1066080206.db2.gz XOKKCICAOMVPSF-UHFFFAOYSA-N 0 0 459.333 4.577 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccccc3N3CCC(O)CC3)s2)cc1 ZINC001441914251 1066080404 /nfs/dbraw/zinc/08/04/04/1066080404.db2.gz ILDPEXTYXDRPJM-UHFFFAOYSA-N 0 0 451.592 4.985 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1cc(N3CCCC3=O)ccc1F)N2C(=O)OC(C)(C)C ZINC001441913909 1066080655 /nfs/dbraw/zinc/08/06/55/1066080655.db2.gz LWHPJNZOYIRCOW-NRFANRHFSA-N 0 0 453.514 4.566 20 0 JJADRN Cc1ccsc1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360924547 1066080801 /nfs/dbraw/zinc/08/08/01/1066080801.db2.gz RQWRKDDDSRKJFE-OAQYLSRUSA-N 0 0 481.666 4.779 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC001441921756 1066081036 /nfs/dbraw/zinc/08/10/36/1066081036.db2.gz SERMXLUTXHVVKV-UHFFFAOYSA-N 0 0 453.562 4.770 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC001360924988 1066081119 /nfs/dbraw/zinc/08/11/19/1066081119.db2.gz QUJASZHIQWPKDP-QFIPXVFZSA-N 0 0 456.380 4.784 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)n1ccc2ccccc2c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441929706 1066081343 /nfs/dbraw/zinc/08/13/43/1066081343.db2.gz NCBZAVOWQILMBI-MSOLQXFVSA-N 0 0 457.505 4.831 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001360925475 1066081492 /nfs/dbraw/zinc/08/14/92/1066081492.db2.gz GRJKXHBIRLJXQV-MGPUTAFESA-N 0 0 456.391 4.603 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(I)ccc2F)cc1 ZINC001360925536 1066081572 /nfs/dbraw/zinc/08/15/72/1066081572.db2.gz JBKJDSJVCQGQBH-HNAYVOBHSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360925753 1066081881 /nfs/dbraw/zinc/08/18/81/1066081881.db2.gz ASFPNTPKXUEBKE-OAHLLOKOSA-N 0 0 468.446 4.598 20 0 JJADRN O=C(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001360925690 1066081991 /nfs/dbraw/zinc/08/19/91/1066081991.db2.gz NYCOLDZTXYFFAH-QGZVFWFLSA-N 0 0 459.420 4.832 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(Br)cc3cccnc32)cc1 ZINC001441950671 1066082139 /nfs/dbraw/zinc/08/21/39/1066082139.db2.gz MIYRCAZVTXQYOO-UHFFFAOYSA-N 0 0 451.280 4.798 20 0 JJADRN C[C@@H](CC(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1ccc(F)c(Br)c1 ZINC001441950140 1066082309 /nfs/dbraw/zinc/08/23/09/1066082309.db2.gz NSXVXVHXJIEYSV-AWEZNQCLSA-N 0 0 453.377 4.518 20 0 JJADRN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc(Cl)cc(Br)c1F ZINC001441951637 1066082584 /nfs/dbraw/zinc/08/25/84/1066082584.db2.gz RMQMWZZQZYBGSC-UHFFFAOYSA-N 0 0 454.727 4.799 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)c(C)c1 ZINC001441956754 1066082635 /nfs/dbraw/zinc/08/26/35/1066082635.db2.gz JMDLAWLKOKRORK-GOSISDBHSA-N 0 0 451.548 4.806 20 0 JJADRN Cc1ccsc1CCn1c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001360926321 1066082573 /nfs/dbraw/zinc/08/25/73/1066082573.db2.gz LMMBITQZASCTGW-UHFFFAOYSA-N 0 0 469.630 4.726 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(C)(C)C1 ZINC001360926307 1066082759 /nfs/dbraw/zinc/08/27/59/1066082759.db2.gz LABOSKNIIPVSEO-KRWDZBQOSA-N 0 0 492.715 4.690 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001360926542 1066082978 /nfs/dbraw/zinc/08/29/78/1066082978.db2.gz SKOSPZUBBBOTIW-HXUWFJFHSA-N 0 0 476.046 4.769 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)[C@H](CCS(C)(=O)=O)c4ccccc4)CC3)c[nH]c21 ZINC001441959171 1066083123 /nfs/dbraw/zinc/08/31/23/1066083123.db2.gz VTKHIRNXNVFLNP-JOCHJYFZSA-N 0 0 452.620 4.655 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360926512 1066083048 /nfs/dbraw/zinc/08/30/48/1066083048.db2.gz RIAUWLTWPYRFOG-CALCHBBNSA-N 0 0 496.628 4.538 20 0 JJADRN Cc1ncsc1CCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360926474 1066083135 /nfs/dbraw/zinc/08/31/35/1066083135.db2.gz QIDIFWTVVLQVGU-XDHUDOTRSA-N 0 0 491.608 4.802 20 0 JJADRN Cc1ncsc1CCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360926472 1066083145 /nfs/dbraw/zinc/08/31/45/1066083145.db2.gz QIDIFWTVVLQVGU-MZNJEOGPSA-N 0 0 491.608 4.802 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360926585 1066083633 /nfs/dbraw/zinc/08/36/33/1066083633.db2.gz UPMNMBORHQKKHG-OGWHTMIXSA-N 0 0 474.675 4.539 20 0 JJADRN O=C(CSCc1ccc(Cl)cc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441976080 1066083500 /nfs/dbraw/zinc/08/35/00/1066083500.db2.gz BGMVOOBIPYHFEO-UHFFFAOYSA-N 0 0 457.810 4.865 20 0 JJADRN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)c(C)c1 ZINC001441971754 1066083667 /nfs/dbraw/zinc/08/36/67/1066083667.db2.gz UFJSNTIBMFBSOM-UHFFFAOYSA-N 0 0 453.402 4.703 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001441979357 1066083976 /nfs/dbraw/zinc/08/39/76/1066083976.db2.gz HXJCHPXSIMIHTK-LEWJYISDSA-N 0 0 458.578 4.690 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001441979364 1066084054 /nfs/dbraw/zinc/08/40/54/1066084054.db2.gz HXJCHPXSIMIHTK-RTWAWAEBSA-N 0 0 458.578 4.690 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001360927930 1066084010 /nfs/dbraw/zinc/08/40/10/1066084010.db2.gz RKYBYGPKQDGBAH-SFHVURJKSA-N 0 0 456.720 4.914 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001360928525 1066084151 /nfs/dbraw/zinc/08/41/51/1066084151.db2.gz JMPZPDMEGCNOTL-RXVVDRJESA-N 0 0 459.612 4.682 20 0 JJADRN O=C(/C=C\Sc1cc(F)ccc1F)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441990798 1066084312 /nfs/dbraw/zinc/08/43/12/1066084312.db2.gz ZITXSLJYFVXIKQ-WDZFZDKYSA-N 0 0 457.329 4.862 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3ncc(Br)s3)cc2)c(C)c1Br ZINC001441987162 1066084322 /nfs/dbraw/zinc/08/43/22/1066084322.db2.gz RAOJEGXYGDIZRA-UHFFFAOYSA-N 0 0 456.163 4.723 20 0 JJADRN COc1ccc(-c2nn(CC(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)cc2C=O)cc1 ZINC001441992575 1066084351 /nfs/dbraw/zinc/08/43/51/1066084351.db2.gz QEKDLMZANZCTOQ-UHFFFAOYSA-N 0 0 452.942 4.654 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360928687 1066084454 /nfs/dbraw/zinc/08/44/54/1066084454.db2.gz MLGIOVROXPMLJF-KMDXXIMOSA-N 0 0 452.595 4.920 20 0 JJADRN O=C(CCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441985810 1066084435 /nfs/dbraw/zinc/08/44/35/1066084435.db2.gz UCVKAJJPIGBPOU-UHFFFAOYSA-N 0 0 459.295 4.929 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2CC2(C)CCCC2)cnn1C ZINC001360929366 1066084830 /nfs/dbraw/zinc/08/48/30/1066084830.db2.gz CQLYJNXGDZAQLJ-UHFFFAOYSA-N 0 0 457.420 4.966 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001360928842 1066084895 /nfs/dbraw/zinc/08/48/95/1066084895.db2.gz PNBLJEWOLZNIEB-HXUWFJFHSA-N 0 0 451.592 4.736 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC[Si](C)(C)C)cc2)cc1OC ZINC001442005780 1066084922 /nfs/dbraw/zinc/08/49/22/1066084922.db2.gz AUSRNWVWYHIVAS-UHFFFAOYSA-N 0 0 450.633 4.562 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)ccc1Cl ZINC001441998240 1066084959 /nfs/dbraw/zinc/08/49/59/1066084959.db2.gz YWRRXIGKUIJDMF-LLVKDONJSA-N 0 0 453.948 4.811 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)ccc1Cl ZINC001441998244 1066084969 /nfs/dbraw/zinc/08/49/69/1066084969.db2.gz YWRRXIGKUIJDMF-NSHDSACASA-N 0 0 453.948 4.811 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360929499 1066085257 /nfs/dbraw/zinc/08/52/57/1066085257.db2.gz HINBVYUDISGHFM-SFHVURJKSA-N 0 0 487.576 4.962 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCSC2(C)C)cnn1C ZINC001360929536 1066085317 /nfs/dbraw/zinc/08/53/17/1066085317.db2.gz IMDNFPREXKKUMB-SFHVURJKSA-N 0 0 489.487 4.918 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)c1 ZINC001442007986 1066085287 /nfs/dbraw/zinc/08/52/87/1066085287.db2.gz HCSJLGVKNISMFR-CHWSQXEVSA-N 0 0 453.408 4.726 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001360929734 1066085716 /nfs/dbraw/zinc/08/57/16/1066085716.db2.gz BLKNWVXJDRVQOQ-SLFFLAALSA-N 0 0 457.619 4.616 20 0 JJADRN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C ZINC001442022498 1066085720 /nfs/dbraw/zinc/08/57/20/1066085720.db2.gz HJJPPQILMBNCFA-UHFFFAOYSA-N 0 0 458.562 4.925 20 0 JJADRN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001442023506 1066085986 /nfs/dbraw/zinc/08/59/86/1066085986.db2.gz MNYDLGLNOQGRAK-UHFFFAOYSA-N 0 0 451.324 4.577 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CC1 ZINC001360929808 1066086060 /nfs/dbraw/zinc/08/60/60/1066086060.db2.gz MWSJDOBOMYENFF-MKTHODDLSA-N 0 0 463.003 4.520 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)nc2)C1(C)C ZINC001442029587 1066086445 /nfs/dbraw/zinc/08/64/45/1066086445.db2.gz DIGORSVZBBMORX-CLOONOSVSA-N 0 0 455.555 4.911 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)Cc1cccs1 ZINC001360930061 1066086440 /nfs/dbraw/zinc/08/64/40/1066086440.db2.gz RNZYAGBKVDTPAJ-SBUREZEXSA-N 0 0 475.684 4.660 20 0 JJADRN C[C@@H](COc1ccc(F)cc1)NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001442026673 1066086470 /nfs/dbraw/zinc/08/64/70/1066086470.db2.gz DNZLBOSAKNOFJB-HRAATJIYSA-N 0 0 456.514 4.591 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)nc2)C1(C)C ZINC001442029604 1066086643 /nfs/dbraw/zinc/08/66/43/1066086643.db2.gz DIGORSVZBBMORX-UQBPGWFLSA-N 0 0 455.555 4.911 20 0 JJADRN CC[C@H](O)Cn1cc(C(=O)NC[C@@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)nn1 ZINC001442032621 1066086830 /nfs/dbraw/zinc/08/68/30/1066086830.db2.gz AQJRLJHPLQPYCV-IEQCVWFJSA-N 0 0 452.643 4.613 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC001360930439 1066086936 /nfs/dbraw/zinc/08/69/36/1066086936.db2.gz FMBFAHLFPBWEQY-CVEARBPZSA-N 0 0 454.683 4.898 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN(C)CC(F)(F)F ZINC001360930428 1066087069 /nfs/dbraw/zinc/08/70/69/1066087069.db2.gz UOOZAPIOFKQSKR-INIZCTEOSA-N 0 0 469.483 4.589 20 0 JJADRN CCN(CCc1ccccn1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001442047463 1066087720 /nfs/dbraw/zinc/08/77/20/1066087720.db2.gz JBETYZJAGAXKBM-IBGZPJMESA-N 0 0 451.489 4.757 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442049774 1066087777 /nfs/dbraw/zinc/08/77/77/1066087777.db2.gz MXIFHZSCDOEIGQ-YBOAYWMSSA-N 0 0 451.405 4.534 20 0 JJADRN CCC(CC)(C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)C(=O)OC(C)(C)C ZINC001442043129 1066087877 /nfs/dbraw/zinc/08/78/77/1066087877.db2.gz GGTNCRZLPLEAKJ-INIZCTEOSA-N 0 0 453.421 4.540 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2(C)C)cnn1C ZINC001360931048 1066088085 /nfs/dbraw/zinc/08/80/85/1066088085.db2.gz YYNDDCIMEYGEEK-PKOBYXMFSA-N 0 0 472.634 4.767 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCc1cccc(F)c1Br ZINC001360931242 1066088110 /nfs/dbraw/zinc/08/81/10/1066088110.db2.gz NQXVMCXPSNZKID-NRFANRHFSA-N 0 0 459.400 4.967 20 0 JJADRN Cn1ccnc1CNc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cc1 ZINC001442060543 1066088079 /nfs/dbraw/zinc/08/80/79/1066088079.db2.gz FZBJIBHBRVVUPM-UHFFFAOYSA-N 0 0 453.384 4.646 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]nc1-c1ccccc1Cl ZINC001442056544 1066088158 /nfs/dbraw/zinc/08/81/58/1066088158.db2.gz VYSVXGUPCYNBNJ-AWEZNQCLSA-N 0 0 459.775 4.749 20 0 JJADRN CCOc1ccccc1CNC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC001442051807 1066088174 /nfs/dbraw/zinc/08/81/74/1066088174.db2.gz PXJKXPDNYDHFTK-UHFFFAOYSA-N 0 0 459.612 4.895 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360931970 1066088573 /nfs/dbraw/zinc/08/85/73/1066088573.db2.gz ANNZGWPIZLIYMD-GXTWGEPZSA-N 0 0 453.385 4.575 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1ccc(=O)n(Cc3ccccc3)c1)N2C(=O)OC(C)(C)C ZINC001442063794 1066088628 /nfs/dbraw/zinc/08/86/28/1066088628.db2.gz KDGCNSWOGFXRSA-QHCPKHFHSA-N 0 0 459.546 4.510 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1ccc(=O)n(Cc3ccccc3)c1)N2C(=O)OC(C)(C)C ZINC001442063789 1066088756 /nfs/dbraw/zinc/08/87/56/1066088756.db2.gz KDGCNSWOGFXRSA-HSZRJFAPSA-N 0 0 459.546 4.510 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC(F)(F)C2)cnn1C ZINC001360932029 1066088909 /nfs/dbraw/zinc/08/89/09/1066088909.db2.gz CNUIFMDZHPRBPM-AWEZNQCLSA-N 0 0 497.363 4.960 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1F ZINC001360932006 1066088961 /nfs/dbraw/zinc/08/89/61/1066088961.db2.gz BTDPCAYIAYSYIW-UHFFFAOYSA-N 0 0 475.391 4.819 20 0 JJADRN CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442065204 1066089000 /nfs/dbraw/zinc/08/90/00/1066089000.db2.gz ACHFYDOLYJAFRT-OAQYLSRUSA-N 0 0 452.523 4.832 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC001442066091 1066089117 /nfs/dbraw/zinc/08/91/17/1066089117.db2.gz ROAUJBQXVCYNLG-CQSZACIVSA-N 0 0 450.564 4.701 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)C1CC1 ZINC001360932121 1066089486 /nfs/dbraw/zinc/08/94/86/1066089486.db2.gz GCAKVGDGSMEUGR-NRFANRHFSA-N 0 0 463.351 4.546 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCc2cccs2)cnn1C ZINC001360932402 1066089816 /nfs/dbraw/zinc/08/98/16/1066089816.db2.gz MMJRHCVVEAUDHB-UHFFFAOYSA-N 0 0 471.428 4.690 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1 ZINC001360932331 1066089845 /nfs/dbraw/zinc/08/98/45/1066089845.db2.gz LORSVZGHBPQOPO-CQSZACIVSA-N 0 0 467.462 4.723 20 0 JJADRN CCc1nc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)nn1-c1ccccc1F ZINC001442076748 1066090289 /nfs/dbraw/zinc/09/02/89/1066090289.db2.gz AFFPIJTVGWFCLV-UHFFFAOYSA-N 0 0 457.347 4.583 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC2=CCCCC2)cnn1C ZINC001360932744 1066090519 /nfs/dbraw/zinc/09/05/19/1066090519.db2.gz ROOSLMGQRWMMPI-UHFFFAOYSA-N 0 0 472.435 4.615 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442077964 1066090661 /nfs/dbraw/zinc/09/06/61/1066090661.db2.gz QTPLTLWEGLWRMM-PGRDOPGGSA-N 0 0 453.583 4.974 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNC(=O)C(C)(C)C ZINC001360933235 1066091605 /nfs/dbraw/zinc/09/16/05/1066091605.db2.gz ZYCWEASKPNUCSX-MRXNPFEDSA-N 0 0 469.655 4.832 20 0 JJADRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1Cl)c1ccco1 ZINC001442083781 1066091783 /nfs/dbraw/zinc/09/17/83/1066091783.db2.gz LAQNTENHCKNQKQ-IBGZPJMESA-N 0 0 452.898 4.820 20 0 JJADRN CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c2cc(F)ccc21 ZINC001360934482 1066091940 /nfs/dbraw/zinc/09/19/40/1066091940.db2.gz ZZOHOWTVLBIMFI-IFMALSPDSA-N 0 0 467.585 4.724 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)c(C)c1Br ZINC001360933785 1066092104 /nfs/dbraw/zinc/09/21/04/1066092104.db2.gz MUJWMKJRVLKMJX-UHFFFAOYSA-N 0 0 458.335 4.548 20 0 JJADRN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001442092046 1066092174 /nfs/dbraw/zinc/09/21/74/1066092174.db2.gz JFUDCZKQQAMMEW-SVVBGHPLSA-N 0 0 457.574 4.734 20 0 JJADRN C[C@H](COc1cccc(F)c1)NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001442086569 1066092236 /nfs/dbraw/zinc/09/22/36/1066092236.db2.gz AOPIHLHLVYFXHM-CQSZACIVSA-N 0 0 453.461 4.706 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccccc3Oc3cccc(F)c3)cc12 ZINC001442097363 1066092701 /nfs/dbraw/zinc/09/27/01/1066092701.db2.gz UIHTYBQQQLJZGV-AWEZNQCLSA-N 0 0 452.511 4.632 20 0 JJADRN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccccc2)O1 ZINC001442101554 1066092916 /nfs/dbraw/zinc/09/29/16/1066092916.db2.gz DKCDSZILAOZIAH-SJLPKXTDSA-N 0 0 456.505 4.555 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1cc2cc(Br)sc2[nH]1 ZINC001442099495 1066092975 /nfs/dbraw/zinc/09/29/75/1066092975.db2.gz HTFCOHFATLNUCG-UHFFFAOYSA-N 0 0 455.337 4.569 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCOCC1 ZINC001360934655 1066092912 /nfs/dbraw/zinc/09/29/12/1066092912.db2.gz HBSZCULUNIOLKV-UHFFFAOYSA-N 0 0 482.698 4.755 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nnc(SCc2ccc(F)cc2)s1)C(C)(C)C ZINC001442099145 1066093104 /nfs/dbraw/zinc/09/31/04/1066093104.db2.gz FHDYVUQXSWVNLI-CQSZACIVSA-N 0 0 454.593 4.847 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[C@H](C)C2)cnn1C ZINC001360934752 1066093152 /nfs/dbraw/zinc/09/31/52/1066093152.db2.gz KOVMFPCKVVNBGS-HOCLYGCPSA-N 0 0 475.410 4.961 20 0 JJADRN CC(C)c1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001442102042 1066093275 /nfs/dbraw/zinc/09/32/75/1066093275.db2.gz BJDFLCJYMIFCCB-JOCHJYFZSA-N 0 0 454.368 4.972 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCO1 ZINC001360934859 1066093511 /nfs/dbraw/zinc/09/35/11/1066093511.db2.gz OWKQLHXOYIILAN-OAHLLOKOSA-N 0 0 480.407 4.817 20 0 JJADRN O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)c1 ZINC001442105527 1066093697 /nfs/dbraw/zinc/09/36/97/1066093697.db2.gz MDESTOCZQMVBGE-UHFFFAOYSA-N 0 0 454.526 4.630 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2F)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360935110 1066094313 /nfs/dbraw/zinc/09/43/13/1066094313.db2.gz AMTYNJNJWQIWLG-UHFFFAOYSA-N 0 0 482.551 4.760 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC1CCCCC1 ZINC001360935162 1066094324 /nfs/dbraw/zinc/09/43/24/1066094324.db2.gz CROWSMDWDCFHCU-UHFFFAOYSA-N 0 0 455.990 4.975 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCOc1cccc(Cl)c1Cl)c1ccccc1 ZINC001442110423 1066094526 /nfs/dbraw/zinc/09/45/26/1066094526.db2.gz DQWZDGPBPVFMAP-QFIPXVFZSA-N 0 0 453.366 4.929 20 0 JJADRN COc1ccc2c(c1)OC[C@H]2CC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001442109684 1066094537 /nfs/dbraw/zinc/09/45/37/1066094537.db2.gz ZEQRFWJNRJSOHC-LJQANCHMSA-N 0 0 451.542 4.962 20 0 JJADRN O=C(c1nccnc1Sc1ccccc1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442109786 1066094562 /nfs/dbraw/zinc/09/45/62/1066094562.db2.gz UUBGFIRNQBUWCX-SFHVURJKSA-N 0 0 456.365 4.604 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cccn1 ZINC001360935250 1066094785 /nfs/dbraw/zinc/09/47/85/1066094785.db2.gz YUHKBEKACWKFOR-UHFFFAOYSA-N 0 0 462.410 4.940 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Cl)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001360935339 1066095056 /nfs/dbraw/zinc/09/50/56/1066095056.db2.gz GXDUZQINWDPHFB-HXUWFJFHSA-N 0 0 497.949 4.790 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2F)n1CCCn1cc(Br)cn1 ZINC001360935491 1066095151 /nfs/dbraw/zinc/09/51/51/1066095151.db2.gz MGHQVYAUIMXUIQ-UHFFFAOYSA-N 0 0 490.406 4.535 20 0 JJADRN C[C@H](C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111744 1066095161 /nfs/dbraw/zinc/09/51/61/1066095161.db2.gz KWIJIHJQHAQTPA-YADHBBJMSA-N 0 0 456.586 4.558 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)C(C)(C)C1(C)C ZINC001442111931 1066095464 /nfs/dbraw/zinc/09/54/64/1066095464.db2.gz VNLJKPVYFSBRSR-UHFFFAOYSA-N 0 0 450.019 4.899 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCOc1cccc(Cl)c1Cl ZINC001442113200 1066095953 /nfs/dbraw/zinc/09/59/53/1066095953.db2.gz PVDMVNLNWACSNL-KRWDZBQOSA-N 0 0 457.785 4.987 20 0 JJADRN O=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC001442115597 1066095992 /nfs/dbraw/zinc/09/59/92/1066095992.db2.gz BJXKREAPZZMRRG-UHFFFAOYSA-N 0 0 458.599 4.632 20 0 JJADRN Cc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)c(Cl)n1 ZINC001360936432 1066096357 /nfs/dbraw/zinc/09/63/57/1066096357.db2.gz ZDZSLBXAOFPYSO-UHFFFAOYSA-N 0 0 459.731 4.634 20 0 JJADRN Cc1ccc(CCC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001442120247 1066096366 /nfs/dbraw/zinc/09/63/66/1066096366.db2.gz PPHYZGZYTJNQKZ-KRWDZBQOSA-N 0 0 453.421 4.796 20 0 JJADRN CCOc1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=S)N=NC1c1cccc(C)c1 ZINC001442117938 1066096378 /nfs/dbraw/zinc/09/63/78/1066096378.db2.gz FEYJPQXWZMLHFY-UHFFFAOYSA-N 0 0 450.486 4.989 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccn2)n1CCOc1ccc(F)c(Cl)c1 ZINC001360937254 1066096724 /nfs/dbraw/zinc/09/67/24/1066096724.db2.gz OPPBRGXWPLJAPK-UHFFFAOYSA-N 0 0 458.950 4.613 20 0 JJADRN Cc1c(C(=O)NCC2(c3cccc(F)c3)CCCCC2)nnn1CCOc1ccc(F)cc1 ZINC001442124892 1066096972 /nfs/dbraw/zinc/09/69/72/1066096972.db2.gz WAUZFNOPIAAYEU-UHFFFAOYSA-N 0 0 454.521 4.576 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001442122805 1066096984 /nfs/dbraw/zinc/09/69/84/1066096984.db2.gz SZDWMHCSGPRRKQ-MRXNPFEDSA-N 0 0 450.649 4.524 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)C1 ZINC001360939347 1066097174 /nfs/dbraw/zinc/09/71/74/1066097174.db2.gz MUPCVHHZOWISOQ-QFBILLFUSA-N 0 0 450.558 4.911 20 0 JJADRN CN(CCC(F)(F)F)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001442133567 1066097393 /nfs/dbraw/zinc/09/73/93/1066097393.db2.gz IMILDWRGCXCSNV-QGZVFWFLSA-N 0 0 453.299 4.600 20 0 JJADRN Cc1occc1CN(C)c1nnc(C2CCCC2)n1CCCCn1cc(Br)cn1 ZINC001360939814 1066097442 /nfs/dbraw/zinc/09/74/42/1066097442.db2.gz BTMPYGBBUUDOSK-UHFFFAOYSA-N 0 0 461.408 4.913 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC(F)(F)F ZINC001360940233 1066097468 /nfs/dbraw/zinc/09/74/68/1066097468.db2.gz DOMURWBOQBHQPI-SFHVURJKSA-N 0 0 450.461 4.657 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC001360939724 1066097496 /nfs/dbraw/zinc/09/74/96/1066097496.db2.gz ZDLLERSATNFZKG-UHFFFAOYSA-N 0 0 457.393 4.879 20 0 JJADRN COc1ccc([C@H](NC(=O)c2c(Br)nc3n2CCCC3)c2ccc(F)cc2)cc1 ZINC001442147432 1066097747 /nfs/dbraw/zinc/09/77/47/1066097747.db2.gz GUCDYNOJQUCCDZ-LJQANCHMSA-N 0 0 458.331 4.649 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)Nc2cccc(NC(=O)OCCOC)c2)cc1 ZINC001442156676 1066098422 /nfs/dbraw/zinc/09/84/22/1066098422.db2.gz GHBHHEPXTBLOFB-UHFFFAOYSA-N 0 0 450.495 4.671 20 0 JJADRN COC[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 ZINC001360942771 1066098536 /nfs/dbraw/zinc/09/85/36/1066098536.db2.gz XTGISBIYMURGLG-LJQANCHMSA-N 0 0 458.559 4.778 20 0 JJADRN CCCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943008 1066098594 /nfs/dbraw/zinc/09/85/94/1066098594.db2.gz DFJVVCCXYQEIAX-YADARESESA-N 0 0 458.541 4.772 20 0 JJADRN CCO[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001442163452 1066098690 /nfs/dbraw/zinc/09/86/90/1066098690.db2.gz QOJPXGPNQATBLJ-HSZRJFAPSA-N 0 0 458.624 4.671 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)[nH]c21 ZINC001442174102 1066098778 /nfs/dbraw/zinc/09/87/78/1066098778.db2.gz LAONWPLBXZNNMN-CQSZACIVSA-N 0 0 450.377 4.616 20 0 JJADRN Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001442168560 1066098868 /nfs/dbraw/zinc/09/88/68/1066098868.db2.gz SFGOHKSHLIECHK-CLHVYKLBSA-N 0 0 452.595 4.812 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(Br)c2ccccc2c1 ZINC001442177748 1066099242 /nfs/dbraw/zinc/09/92/42/1066099242.db2.gz CKLONAWZMKPKMZ-OAQYLSRUSA-N 0 0 453.336 4.650 20 0 JJADRN O=C(CSc1nnc2ccccn21)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001442180652 1066099495 /nfs/dbraw/zinc/09/94/95/1066099495.db2.gz IDQFBSRMLFHHGF-UHFFFAOYSA-N 0 0 452.927 4.758 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360944929 1066099876 /nfs/dbraw/zinc/09/98/76/1066099876.db2.gz OGDLVABJUJBDFM-UHFFFAOYSA-N 0 0 476.503 4.871 20 0 JJADRN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001442185082 1066100026 /nfs/dbraw/zinc/10/00/26/1066100026.db2.gz BTQQUKSUYNXIMZ-GOSISDBHSA-N 0 0 450.421 4.550 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001442186615 1066100142 /nfs/dbraw/zinc/10/01/42/1066100142.db2.gz QGIRNWNZTZBZOA-NRFANRHFSA-N 0 0 451.910 4.575 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC001360946181 1066100606 /nfs/dbraw/zinc/10/06/06/1066100606.db2.gz MUHJNRLKRBPHPS-OALUTQOASA-N 0 0 450.004 4.542 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC001360946180 1066100627 /nfs/dbraw/zinc/10/06/27/1066100627.db2.gz MUHJNRLKRBPHPS-MOPGFXCFSA-N 0 0 450.004 4.542 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001360945520 1066100661 /nfs/dbraw/zinc/10/06/61/1066100661.db2.gz MYUPOSJIPWILAC-YHYXMXQVSA-N 0 0 455.860 4.673 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2Cc2cccc(C(C)(F)F)c2)cnn1C ZINC001360946406 1066101273 /nfs/dbraw/zinc/10/12/73/1066101273.db2.gz IGAPRHYPLOOOTP-UHFFFAOYSA-N 0 0 456.566 4.769 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2cccc(Nc3ccc(C)nn3)c2)nc1-c1ccccc1 ZINC001442200216 1066101315 /nfs/dbraw/zinc/10/13/15/1066101315.db2.gz LXJDDQXNJGRPRA-UHFFFAOYSA-N 0 0 459.531 4.620 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)s1 ZINC001442197967 1066101384 /nfs/dbraw/zinc/10/13/84/1066101384.db2.gz YOVNZOSBYFSLSI-UHFFFAOYSA-N 0 0 457.596 4.927 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001442190148 1066101454 /nfs/dbraw/zinc/10/14/54/1066101454.db2.gz XHCMQTQBVAZMRF-XLXASQRYSA-N 0 0 452.860 4.720 20 0 JJADRN Cc1c(CN(C)c2nnc(CC3CCCC3)n2CCOc2ccccc2C(C)C)cnn1C ZINC001360947261 1066101905 /nfs/dbraw/zinc/10/19/05/1066101905.db2.gz FOHPFALZLHLESU-UHFFFAOYSA-N 0 0 450.631 4.892 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@H]2CCSC2(C)C)cnn1C ZINC001360947237 1066101957 /nfs/dbraw/zinc/10/19/57/1066101957.db2.gz DOPXWYFNXHBTSY-QFIPXVFZSA-N 0 0 452.672 4.663 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(Br)cc1 ZINC001360947010 1066101991 /nfs/dbraw/zinc/10/19/91/1066101991.db2.gz VVNHBIHJZXSSQL-UHFFFAOYSA-N 0 0 483.439 4.670 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001442211195 1066102389 /nfs/dbraw/zinc/10/23/89/1066102389.db2.gz QLJXVDGGTXRQTL-UHFFFAOYSA-N 0 0 457.530 4.567 20 0 JJADRN Cc1cc(C)cc(OCCNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001442214417 1066103122 /nfs/dbraw/zinc/10/31/22/1066103122.db2.gz QHMRMDVITKSEFO-UHFFFAOYSA-N 0 0 452.595 4.767 20 0 JJADRN O=C(NCCc1cc(F)cc(F)c1)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001360947864 1066103134 /nfs/dbraw/zinc/10/31/34/1066103134.db2.gz BUODWIPGALFTRA-UHFFFAOYSA-N 0 0 451.513 4.951 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCCCC2=O)cc1 ZINC001442214293 1066103250 /nfs/dbraw/zinc/10/32/50/1066103250.db2.gz NWVYOMHHJVZMRW-UHFFFAOYSA-N 0 0 457.368 4.635 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccc(Br)cc1 ZINC001442214234 1066103262 /nfs/dbraw/zinc/10/32/62/1066103262.db2.gz ZMDZJERVMRDGTC-HXUWFJFHSA-N 0 0 450.421 4.566 20 0 JJADRN CCCC1CCC(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001442223729 1066103771 /nfs/dbraw/zinc/10/37/71/1066103771.db2.gz UMHUHKIZHCGGQI-VCAKUFKGSA-N 0 0 456.656 4.811 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC001442219056 1066103777 /nfs/dbraw/zinc/10/37/77/1066103777.db2.gz FCTFOBPJTCJXBX-UHFFFAOYSA-N 0 0 457.021 4.835 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc(Nc2cnccn2)c1 ZINC001442225631 1066104310 /nfs/dbraw/zinc/10/43/10/1066104310.db2.gz DQHSIZZCKWHRKQ-UHFFFAOYSA-N 0 0 456.468 4.717 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)cn12 ZINC001442228073 1066104390 /nfs/dbraw/zinc/10/43/90/1066104390.db2.gz UDYXYZUUKMVIDF-UHFFFAOYSA-N 0 0 458.331 4.680 20 0 JJADRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC001442227096 1066104442 /nfs/dbraw/zinc/10/44/42/1066104442.db2.gz STTCZKDGPRQREX-UHFFFAOYSA-N 0 0 456.543 4.971 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCSC1 ZINC001360949454 1066104909 /nfs/dbraw/zinc/10/49/09/1066104909.db2.gz HKRGRJVTGVOTSW-OAHLLOKOSA-N 0 0 494.484 4.774 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001442229716 1066105069 /nfs/dbraw/zinc/10/50/69/1066105069.db2.gz DCZFMSVNFSEBHS-UHFFFAOYSA-N 0 0 450.436 4.820 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 ZINC001360949619 1066105561 /nfs/dbraw/zinc/10/55/61/1066105561.db2.gz MQPVGSJYSKKPFV-UHFFFAOYSA-N 0 0 475.446 4.996 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001360949594 1066105603 /nfs/dbraw/zinc/10/56/03/1066105603.db2.gz LXWNONWIRVYTEJ-GBXCKJPGSA-N 0 0 456.562 4.985 20 0 JJADRN C[C@@](O)(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)c1ccc(F)c(Br)c1 ZINC001442242660 1066107306 /nfs/dbraw/zinc/10/73/06/1066107306.db2.gz BPBVMBAYFLRYFU-NRFANRHFSA-N 0 0 452.339 4.953 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001442245442 1066107351 /nfs/dbraw/zinc/10/73/51/1066107351.db2.gz LHXIXYRKRCDXBR-AVRDEDQJSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001442245452 1066107397 /nfs/dbraw/zinc/10/73/97/1066107397.db2.gz LHXIXYRKRCDXBR-XMSQKQJNSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001360950010 1066107491 /nfs/dbraw/zinc/10/74/91/1066107491.db2.gz CACYLJVIASKXAN-YUMYIRISSA-N 0 0 487.645 4.648 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)c1nccs1 ZINC001360949939 1066107512 /nfs/dbraw/zinc/10/75/12/1066107512.db2.gz ZNNXCKVTLJVGKT-AWEZNQCLSA-N 0 0 458.588 4.658 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1C(=O)OC ZINC001360950665 1066108057 /nfs/dbraw/zinc/10/80/57/1066108057.db2.gz JTBSRUMBJXQXMY-DLBZAZTESA-N 0 0 456.505 4.576 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC001442249800 1066108461 /nfs/dbraw/zinc/10/84/61/1066108461.db2.gz JLHLWKGUOQTJAU-UHFFFAOYSA-N 0 0 453.992 4.970 20 0 JJADRN O=C(CCS(=O)(=O)c1cccc(Br)c1)N(c1ccccc1F)C1CCCC1 ZINC001360951440 1066108651 /nfs/dbraw/zinc/10/86/51/1066108651.db2.gz YJHCRWSHZRDVPR-UHFFFAOYSA-N 0 0 454.361 4.728 20 0 JJADRN Cc1csc(COC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)n1 ZINC001360951979 1066109186 /nfs/dbraw/zinc/10/91/86/1066109186.db2.gz QGZVCQFBIWZJBB-UHFFFAOYSA-N 0 0 458.515 4.813 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)N[C@H](C)C(=O)NCc3ccccc3)cc2s1 ZINC001442261630 1066109513 /nfs/dbraw/zinc/10/95/13/1066109513.db2.gz JWCHMZXEUDMGSX-OAHLLOKOSA-N 0 0 450.589 4.845 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360952770 1066109669 /nfs/dbraw/zinc/10/96/69/1066109669.db2.gz AYSGMULELTYZJY-UHFFFAOYSA-N 0 0 476.046 4.531 20 0 JJADRN Cc1ccoc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360953209 1066109678 /nfs/dbraw/zinc/10/96/78/1066109678.db2.gz IFJLZKPBEGQBRW-UHFFFAOYSA-N 0 0 486.016 4.595 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC001442263705 1066110091 /nfs/dbraw/zinc/11/00/91/1066110091.db2.gz KIJDHJKOVHHSPT-MRXNPFEDSA-N 0 0 450.004 4.977 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001360953311 1066110424 /nfs/dbraw/zinc/11/04/24/1066110424.db2.gz KEBDAIJIQOPIDG-UHFFFAOYSA-N 0 0 484.532 4.581 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442283847 1066111195 /nfs/dbraw/zinc/11/11/95/1066111195.db2.gz JZFDXYDCJSZYSX-SFHVURJKSA-N 0 0 450.476 4.788 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545947857 1066111217 /nfs/dbraw/zinc/11/12/17/1066111217.db2.gz FHBZQZFDJQSIOZ-HXUWFJFHSA-N 0 0 486.661 4.933 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cncc(OCC(F)F)c1)CCO2 ZINC001360955476 1066111478 /nfs/dbraw/zinc/11/14/78/1066111478.db2.gz SASSVDSQIOLFRA-QFIPXVFZSA-N 0 0 454.473 4.900 20 0 JJADRN Cc1ccc(-c2nnc(NC(=O)[C@H]3N(C(=O)OCc4ccccc4)CC3(C)C)s2)c(C)c1 ZINC001442284814 1066111929 /nfs/dbraw/zinc/11/19/29/1066111929.db2.gz OPYHWNHNOSKXAX-LJQANCHMSA-N 0 0 450.564 4.808 20 0 JJADRN Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1Cc1cnn(CC(C)C)c1C ZINC001360955553 1066111978 /nfs/dbraw/zinc/11/19/78/1066111978.db2.gz FCYZFQHLZHDODT-HXUWFJFHSA-N 0 0 463.399 4.705 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360955583 1066111987 /nfs/dbraw/zinc/11/19/87/1066111987.db2.gz FXPLKJVKLMASRY-QFIPXVFZSA-N 0 0 481.641 4.532 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccnc(NC(=O)C(C)C)c1)CCO2 ZINC001360955804 1066112524 /nfs/dbraw/zinc/11/25/24/1066112524.db2.gz WISZYMMLWJVQQC-HSZRJFAPSA-N 0 0 459.546 4.851 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C(=O)OC)cc1 ZINC001442298744 1066112794 /nfs/dbraw/zinc/11/27/94/1066112794.db2.gz JXFZNTIZDXBIES-YJBOKZPZSA-N 0 0 452.378 4.719 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C(=O)OC)cc1 ZINC001442298738 1066112846 /nfs/dbraw/zinc/11/28/46/1066112846.db2.gz JXFZNTIZDXBIES-MAUKXSAKSA-N 0 0 452.378 4.719 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 ZINC001360956641 1066112941 /nfs/dbraw/zinc/11/29/41/1066112941.db2.gz OSHOEJKJNXWIQE-UHFFFAOYSA-N 0 0 454.530 4.999 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)C(=O)OC)cc1 ZINC001442299720 1066113606 /nfs/dbraw/zinc/11/36/06/1066113606.db2.gz KUCYRCDZKQZMML-IZQLPPHKSA-N 0 0 453.432 4.563 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ncc(C(C)(C)C)s2)c2ccccc2)cc1 ZINC001360957678 1066113974 /nfs/dbraw/zinc/11/39/74/1066113974.db2.gz NGKGSFSOEIZIOI-UHFFFAOYSA-N 0 0 457.621 4.973 20 0 JJADRN Cc1ccsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360957326 1066114019 /nfs/dbraw/zinc/11/40/19/1066114019.db2.gz ZNTBMTQUDIDCIG-GOSISDBHSA-N 0 0 485.629 4.716 20 0 JJADRN CCc1nccn1[C@H](C)CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303061 1066113978 /nfs/dbraw/zinc/11/39/78/1066113978.db2.gz OMQLFXDEEOWNBZ-NVXWUHKLSA-N 0 0 456.978 4.702 20 0 JJADRN CCc1nccn1[C@@H](C)CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303051 1066114030 /nfs/dbraw/zinc/11/40/30/1066114030.db2.gz OMQLFXDEEOWNBZ-DOTOQJQBSA-N 0 0 456.978 4.702 20 0 JJADRN Cc1sc(NC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)nc1-c1ccc2c(c1)CCC2 ZINC001360957916 1066114520 /nfs/dbraw/zinc/11/45/20/1066114520.db2.gz SYGGTPRJZDAZJW-NRFANRHFSA-N 0 0 454.617 4.764 20 0 JJADRN CCc1nccn1[C@H](C)CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303084 1066114632 /nfs/dbraw/zinc/11/46/32/1066114632.db2.gz OMQLFXDEEOWNBZ-WBVHZDCISA-N 0 0 456.978 4.702 20 0 JJADRN Cc1c(Cn2c(-c3cccc(Br)c3)nnc2N(Cc2ccco2)C(C)C)cnn1C ZINC001360958501 1066115078 /nfs/dbraw/zinc/11/50/78/1066115078.db2.gz OSIGLBMDHVKXMT-UHFFFAOYSA-N 0 0 469.387 4.806 20 0 JJADRN Cc1c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(C)(C)OC[C@@H]2C)cnn1CC(C)C ZINC001360958893 1066115639 /nfs/dbraw/zinc/11/56/39/1066115639.db2.gz VZKUDESWVCIRGN-KRWDZBQOSA-N 0 0 488.583 4.759 20 0 JJADRN Cc1ccc(Nc2ccccc2C(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC001442314407 1066115815 /nfs/dbraw/zinc/11/58/15/1066115815.db2.gz ZZEWXCZUZCJPFU-UHFFFAOYSA-N 0 0 451.592 4.745 20 0 JJADRN Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cnn1CC(C)C ZINC001360959534 1066116781 /nfs/dbraw/zinc/11/67/81/1066116781.db2.gz GGLWRVVPOSKQGX-XXBNENTESA-N 0 0 498.697 4.573 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnccn2)cnn1CC(C)C ZINC001360959564 1066117074 /nfs/dbraw/zinc/11/70/74/1066117074.db2.gz HPXWWVIFFFWHGU-UHFFFAOYSA-N 0 0 472.641 4.878 20 0 JJADRN Cc1ccsc1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCS(C)(=O)=O ZINC001360959678 1066117101 /nfs/dbraw/zinc/11/71/01/1066117101.db2.gz LNXWVWMOFGYCEA-UHFFFAOYSA-N 0 0 478.709 4.565 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360959583 1066117153 /nfs/dbraw/zinc/11/71/53/1066117153.db2.gz IGRXKHYYTLPOCI-UHFFFAOYSA-N 0 0 451.640 4.753 20 0 JJADRN Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCCCC2)cnn1CC(C)C ZINC001360959932 1066117660 /nfs/dbraw/zinc/11/76/60/1066117660.db2.gz UNYOWJYMNOCGQQ-UHFFFAOYSA-N 0 0 498.697 4.574 20 0 JJADRN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336338 1066117657 /nfs/dbraw/zinc/11/76/57/1066117657.db2.gz JSSOBPAPCPJLOY-FQEVSTJZSA-N 0 0 456.999 4.926 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360960077 1066118095 /nfs/dbraw/zinc/11/80/95/1066118095.db2.gz YOLSEADBCAIIBN-OAHLLOKOSA-N 0 0 497.484 4.818 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(C)C)C1 ZINC001360960279 1066118542 /nfs/dbraw/zinc/11/85/42/1066118542.db2.gz HJMRIFBELPYJIR-AWEZNQCLSA-N 0 0 479.423 4.927 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001360960219 1066118591 /nfs/dbraw/zinc/11/85/91/1066118591.db2.gz FSWYFBDRECFAHT-LJQANCHMSA-N 0 0 458.031 4.758 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)n3)c(C(F)(F)F)c2)n1 ZINC001442349875 1066118715 /nfs/dbraw/zinc/11/87/15/1066118715.db2.gz BNSFIVIBNZILAH-UHFFFAOYSA-N 0 0 456.390 4.781 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCCOC2)cnn1CC(C)C ZINC001360960339 1066119142 /nfs/dbraw/zinc/11/91/42/1066119142.db2.gz JOHCIBRPXBFMJM-SFHVURJKSA-N 0 0 475.012 4.810 20 0 JJADRN C[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)NC(C)(C)C ZINC001442350931 1066119116 /nfs/dbraw/zinc/11/91/16/1066119116.db2.gz IMTQAZCZCCUODA-GFCCVEGCSA-N 0 0 451.354 4.670 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC001442350118 1066119193 /nfs/dbraw/zinc/11/91/93/1066119193.db2.gz VEUQDQRXMDTACS-UHFFFAOYSA-N 0 0 450.340 4.810 20 0 JJADRN COc1ccc(-c2nc(COC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC001360961375 1066120639 /nfs/dbraw/zinc/12/06/39/1066120639.db2.gz GYWNAWJVUVQAFC-UHFFFAOYSA-N 0 0 452.576 4.980 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)Cc1ccccc1 ZINC001442368935 1066120804 /nfs/dbraw/zinc/12/08/04/1066120804.db2.gz ULWQPNJCNXHEBE-QAPCUYQASA-N 0 0 450.348 4.620 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)Cc1ccccc1 ZINC001442368923 1066120857 /nfs/dbraw/zinc/12/08/57/1066120857.db2.gz ULWQPNJCNXHEBE-CRAIPNDOSA-N 0 0 450.348 4.620 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C)c1C)c2=O)c1ccccc1OC ZINC001442374722 1066121426 /nfs/dbraw/zinc/12/14/26/1066121426.db2.gz FPKGEHBWMBYYKE-UHFFFAOYSA-N 0 0 459.571 4.967 20 0 JJADRN O=Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3F)cc2)c(Br)c1 ZINC001442377469 1066121448 /nfs/dbraw/zinc/12/14/48/1066121448.db2.gz SEFJSPOENKWICE-UHFFFAOYSA-N 0 0 458.283 4.997 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962481 1066121679 /nfs/dbraw/zinc/12/16/79/1066121679.db2.gz GUOUWEFFUZDFMZ-MSOLQXFVSA-N 0 0 469.561 4.773 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001360962512 1066122248 /nfs/dbraw/zinc/12/22/48/1066122248.db2.gz IGTPMBNCMPCSHC-ZDUSSCGKSA-N 0 0 461.433 4.788 20 0 JJADRN Cc1c(Cn2c(-c3ccccn3)nnc2N(C)Cc2cccc(OC(F)F)c2)cnn1CC(C)C ZINC001360962525 1066122347 /nfs/dbraw/zinc/12/23/47/1066122347.db2.gz JBSSKVPSUOLZDM-UHFFFAOYSA-N 0 0 481.551 4.787 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360963074 1066122699 /nfs/dbraw/zinc/12/26/99/1066122699.db2.gz BGBLCZHMGGJNRJ-MBSDFSHPSA-N 0 0 451.954 4.547 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360963072 1066122747 /nfs/dbraw/zinc/12/27/47/1066122747.db2.gz BGBLCZHMGGJNRJ-FDDCHVKYSA-N 0 0 451.954 4.547 20 0 JJADRN COC(C)(C)C[C@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001360965156 1066123939 /nfs/dbraw/zinc/12/39/39/1066123939.db2.gz JQXBCCHCEJPVOV-HNNXBMFYSA-N 0 0 452.473 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC001442395973 1066124061 /nfs/dbraw/zinc/12/40/61/1066124061.db2.gz MHWYJLSWYUUCGV-SANMLTNESA-N 0 0 456.558 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC001442395970 1066124090 /nfs/dbraw/zinc/12/40/90/1066124090.db2.gz MHWYJLSWYUUCGV-AREMUKBSSA-N 0 0 456.558 4.507 20 0 JJADRN O=C(NCCc1cc(Br)ccc1F)c1ccccc1CSC1=NCCS1 ZINC001442395834 1066124098 /nfs/dbraw/zinc/12/40/98/1066124098.db2.gz LKOMBPDROWJVJP-UHFFFAOYSA-N 0 0 453.402 4.897 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360967227 1066124483 /nfs/dbraw/zinc/12/44/83/1066124483.db2.gz DQWGNQJEBIUHHQ-VGSWGCGISA-N 0 0 453.583 4.585 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360967224 1066124502 /nfs/dbraw/zinc/12/45/02/1066124502.db2.gz DQWGNQJEBIUHHQ-HTAPYJJXSA-N 0 0 453.583 4.585 20 0 JJADRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(=NC(=O)OCC)sc2c1 ZINC001442401382 1066124733 /nfs/dbraw/zinc/12/47/33/1066124733.db2.gz LCPJRKQHSGOXPY-OAQYLSRUSA-N 0 0 450.561 4.887 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2s1 ZINC001442400440 1066124782 /nfs/dbraw/zinc/12/47/82/1066124782.db2.gz DTAQEYXRJQTAEL-ZIAGYGMSSA-N 0 0 462.572 4.696 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967539 1066125014 /nfs/dbraw/zinc/12/50/14/1066125014.db2.gz OHXZRNBHVMWQGN-UGKGYDQZSA-N 0 0 499.704 4.884 20 0 JJADRN Cc1c(Cn2c([C@H]3CCCCO3)nnc2N(C)CCCc2ccccc2)cnn1CC(C)C ZINC001360967819 1066125018 /nfs/dbraw/zinc/12/50/18/1066125018.db2.gz QOGUBADKDCFDHE-XMMPIXPASA-N 0 0 450.631 4.798 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967538 1066125040 /nfs/dbraw/zinc/12/50/40/1066125040.db2.gz OHXZRNBHVMWQGN-SIKLNZKXSA-N 0 0 499.704 4.884 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001360968127 1066125614 /nfs/dbraw/zinc/12/56/14/1066125614.db2.gz ULXYUJBFKXNGTM-RTWAWAEBSA-N 0 0 487.645 4.594 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(C)(C)c1ccccc1 ZINC001360968759 1066125619 /nfs/dbraw/zinc/12/56/19/1066125619.db2.gz YHAULNKDXMFSLL-OFNKIYASSA-N 0 0 453.652 4.811 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360968523 1066125632 /nfs/dbraw/zinc/12/56/32/1066125632.db2.gz XGXXRXBYNBQHPY-ZDUSSCGKSA-N 0 0 457.547 4.702 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001360968128 1066125680 /nfs/dbraw/zinc/12/56/80/1066125680.db2.gz ULXYUJBFKXNGTM-SFTDATJTSA-N 0 0 487.645 4.594 20 0 JJADRN Cc1ccsc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001442406883 1066125743 /nfs/dbraw/zinc/12/57/43/1066125743.db2.gz CIHCLLYKJVGOHQ-UHFFFAOYSA-N 0 0 456.633 4.763 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC001442405864 1066125804 /nfs/dbraw/zinc/12/58/04/1066125804.db2.gz MKAFWFOHGSIGDL-HSZRJFAPSA-N 0 0 451.567 4.546 20 0 JJADRN C[C@H]1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)C[C@H](C)O1 ZINC000028940075 1066126479 /nfs/dbraw/zinc/12/64/79/1066126479.db2.gz IOEVWBHZDFSNAO-ROUUACIJSA-N 0 0 465.623 4.595 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC001360969660 1066126516 /nfs/dbraw/zinc/12/65/16/1066126516.db2.gz YJBAZNVLXCCPQC-GGAORHGYSA-N 0 0 456.652 4.960 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1 ZINC001360969518 1066126551 /nfs/dbraw/zinc/12/65/51/1066126551.db2.gz VCPXCNJYEGXCKP-XQQXVUDOSA-N 0 0 458.624 4.868 20 0 JJADRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001442425583 1066126753 /nfs/dbraw/zinc/12/67/53/1066126753.db2.gz BZMUOUIDWLMTNJ-IBGZPJMESA-N 0 0 454.368 4.550 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)Cc1cc(Br)ccc1F ZINC001360971059 1066126970 /nfs/dbraw/zinc/12/69/70/1066126970.db2.gz WJEPZDVFGSFLKJ-UHFFFAOYSA-N 0 0 459.109 4.709 20 0 JJADRN Cc1c(Br)cccc1C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001360971034 1066126989 /nfs/dbraw/zinc/12/69/89/1066126989.db2.gz VHSNUDDEFLTBGM-UHFFFAOYSA-N 0 0 455.396 4.801 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001360970092 1066127026 /nfs/dbraw/zinc/12/70/26/1066127026.db2.gz DDFKEPDPOHVEQZ-QGZVFWFLSA-N 0 0 452.251 4.674 20 0 JJADRN Cc1ccsc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1nccs1 ZINC001360971735 1066127424 /nfs/dbraw/zinc/12/74/24/1066127424.db2.gz XBGJJOIDTZRXEJ-UHFFFAOYSA-N 0 0 488.683 4.904 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360971985 1066128072 /nfs/dbraw/zinc/12/80/72/1066128072.db2.gz YVWFNYWLTQRLPB-ROUUACIJSA-N 0 0 487.626 4.795 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001360971946 1066128134 /nfs/dbraw/zinc/12/81/34/1066128134.db2.gz KVXQDJMVYJNGPM-UHFFFAOYSA-N 0 0 469.605 4.803 20 0 JJADRN COc1cccc(N(CC(C)C)C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)c1 ZINC001442471267 1066128487 /nfs/dbraw/zinc/12/84/87/1066128487.db2.gz DXXLTQFMHYOXPT-UHFFFAOYSA-N 0 0 452.555 4.670 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001442470295 1066128591 /nfs/dbraw/zinc/12/85/91/1066128591.db2.gz ITNVQDAKFVBKBC-LQBOVUBWSA-N 0 0 457.615 4.889 20 0 JJADRN Cc1ccoc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360972646 1066129136 /nfs/dbraw/zinc/12/91/36/1066129136.db2.gz GJWUPFJIRSMHTJ-OAQYLSRUSA-N 0 0 483.588 4.793 20 0 JJADRN Cc1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)nn1-c1ccc(C)cc1 ZINC001442472772 1066129228 /nfs/dbraw/zinc/12/92/28/1066129228.db2.gz KDUQPCVWGDXCLU-HSZRJFAPSA-N 0 0 452.599 4.741 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ccccc3)C2)cnn1CC(C)C ZINC001360972858 1066129243 /nfs/dbraw/zinc/12/92/43/1066129243.db2.gz NYKBRMUVPPKMEN-DEOSSOPVSA-N 0 0 450.631 4.734 20 0 JJADRN Cc1nnsc1Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C(C)C ZINC001360973128 1066129708 /nfs/dbraw/zinc/12/97/08/1066129708.db2.gz XWWGIXMITDTIEF-UHFFFAOYSA-N 0 0 460.579 4.832 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001442473458 1066129724 /nfs/dbraw/zinc/12/97/24/1066129724.db2.gz XKUCZHDZZYYHDB-OAHLLOKOSA-N 0 0 456.439 4.730 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1 ZINC001442473424 1066129817 /nfs/dbraw/zinc/12/98/17/1066129817.db2.gz JKEHUMCTFOGCEW-XMMPIXPASA-N 0 0 458.537 4.684 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360973560 1066130211 /nfs/dbraw/zinc/13/02/11/1066130211.db2.gz LCJAJKPSZUCGDR-HXUWFJFHSA-N 0 0 457.619 4.702 20 0 JJADRN Cc1c(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)cnn1CC(C)C ZINC001360973956 1066130591 /nfs/dbraw/zinc/13/05/91/1066130591.db2.gz JURAJVPTNMEFJH-IBGZPJMESA-N 0 0 479.579 4.949 20 0 JJADRN Cc1c(Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)cnn1CC(C)C ZINC001360973967 1066130614 /nfs/dbraw/zinc/13/06/14/1066130614.db2.gz JZGLYMDXCYQBKF-UHFFFAOYSA-N 0 0 478.044 4.805 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001442479575 1066130932 /nfs/dbraw/zinc/13/09/32/1066130932.db2.gz YGSWTRGSYXLESG-NRFANRHFSA-N 0 0 452.599 4.945 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)C2=O)cc1 ZINC001360975542 1066131682 /nfs/dbraw/zinc/13/16/82/1066131682.db2.gz XWYWXRRMEFDETD-OAQYLSRUSA-N 0 0 455.986 4.949 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1 ZINC001442507556 1066131925 /nfs/dbraw/zinc/13/19/25/1066131925.db2.gz LUECIYIHIKOGLF-SPLOXXLWSA-N 0 0 452.498 4.582 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001360976525 1066132168 /nfs/dbraw/zinc/13/21/68/1066132168.db2.gz JVMNAQVPAQLOPX-DLBZAZTESA-N 0 0 454.644 4.988 20 0 JJADRN Cc1c(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cnn1CC(C)C ZINC001360976691 1066132743 /nfs/dbraw/zinc/13/27/43/1066132743.db2.gz PSNGBDPOIDFVSJ-MUUNZHRXSA-N 0 0 494.684 4.750 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC001442526971 1066133017 /nfs/dbraw/zinc/13/30/17/1066133017.db2.gz IWHVLZVSJCEXPA-XKGZKEIXSA-N 0 0 459.612 4.969 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001360976918 1066133128 /nfs/dbraw/zinc/13/31/28/1066133128.db2.gz YRDWTZUCJABJSV-INIZCTEOSA-N 0 0 463.401 4.511 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001442527769 1066133598 /nfs/dbraw/zinc/13/35/98/1066133598.db2.gz IHCLJJQPXASREI-XMSQKQJNSA-N 0 0 458.002 4.857 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360977054 1066133646 /nfs/dbraw/zinc/13/36/46/1066133646.db2.gz CPTPOZWACMLRNJ-UHFFFAOYSA-N 0 0 488.057 4.623 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001360976993 1066133657 /nfs/dbraw/zinc/13/36/57/1066133657.db2.gz AXWBRRRFHZRNDM-PUZFROQSSA-N 0 0 499.587 4.653 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CCCc2ccccn2)cnn1C ZINC001360977199 1066134110 /nfs/dbraw/zinc/13/41/10/1066134110.db2.gz HVITUXNGEUQQOV-UHFFFAOYSA-N 0 0 482.057 4.778 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1c(C)noc1C ZINC001360977260 1066134688 /nfs/dbraw/zinc/13/46/88/1066134688.db2.gz KMDBHAJBVWXIRM-HDICACEKSA-N 0 0 486.642 4.708 20 0 JJADRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001442540610 1066134741 /nfs/dbraw/zinc/13/47/41/1066134741.db2.gz UWOYCNOUEZFEFA-LADGPHEKSA-N 0 0 452.595 4.994 20 0 JJADRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001442540618 1066134774 /nfs/dbraw/zinc/13/47/74/1066134774.db2.gz UWOYCNOUEZFEFA-UPVQGACJSA-N 0 0 452.595 4.994 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CCOC(C)(C)C)cnn1C ZINC001360977467 1066134756 /nfs/dbraw/zinc/13/47/56/1066134756.db2.gz RBBGQJXUPWHOMU-UHFFFAOYSA-N 0 0 463.051 4.565 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360977535 1066135114 /nfs/dbraw/zinc/13/51/14/1066135114.db2.gz UFNDOYGBJWSUGX-IBGZPJMESA-N 0 0 486.016 4.591 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001442546118 1066135178 /nfs/dbraw/zinc/13/51/78/1066135178.db2.gz JZZSDTIIWHGEMW-YADHBBJMSA-N 0 0 450.583 4.846 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1 ZINC001442548901 1066135846 /nfs/dbraw/zinc/13/58/46/1066135846.db2.gz GTCGQLJLRCDTRF-UHFFFAOYSA-N 0 0 458.543 4.903 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H](C)c2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978030 1066136074 /nfs/dbraw/zinc/13/60/74/1066136074.db2.gz JNVQCRCTYBAKMF-NSYGIPOTSA-N 0 0 455.551 4.637 20 0 JJADRN COc1ccc(C(=O)C[C@H](C)C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001442551074 1066136237 /nfs/dbraw/zinc/13/62/37/1066136237.db2.gz UQISLXDEFFQIAI-YUXAGFNASA-N 0 0 458.599 4.685 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCCN(c2nccs2)CC1)Oc1ccccc1F ZINC001545949786 1066136303 /nfs/dbraw/zinc/13/63/03/1066136303.db2.gz FJLSNOWEIHCZSJ-GOSISDBHSA-N 0 0 458.607 4.571 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2cn3cc(C)sc3n2)c2ccccc2Cl)c(OC)c1 ZINC001360978391 1066136732 /nfs/dbraw/zinc/13/67/32/1066136732.db2.gz VGIYHUXGGZMBIY-JOCHJYFZSA-N 0 0 455.967 4.823 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1 ZINC001545949815 1066136869 /nfs/dbraw/zinc/13/68/69/1066136869.db2.gz FXFBOZFLFUQRAH-ILWGZMRPSA-N 0 0 453.631 4.898 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccn2)C1 ZINC001442552189 1066136879 /nfs/dbraw/zinc/13/68/79/1066136879.db2.gz XKIBQULTWBSHRE-BAGYTPMASA-N 0 0 456.631 4.712 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccn2)C1 ZINC001442552193 1066136922 /nfs/dbraw/zinc/13/69/22/1066136922.db2.gz XKIBQULTWBSHRE-CEMLEFRQSA-N 0 0 456.631 4.712 20 0 JJADRN CCCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H](C)C(=O)Nc1ccccc1 ZINC001442556915 1066137862 /nfs/dbraw/zinc/13/78/62/1066137862.db2.gz GDGBBDXXDHJIEJ-AWEZNQCLSA-N 0 0 456.896 4.822 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(Cc2cccc(F)c2)C(C)C)cnn1C ZINC001360979929 1066138009 /nfs/dbraw/zinc/13/80/09/1066138009.db2.gz ZPBFXNOQRHHJCG-DHIUTWEWSA-N 0 0 468.621 4.841 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N(CC)CC1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC001545949951 1066138398 /nfs/dbraw/zinc/13/83/98/1066138398.db2.gz IGDIRQZLSSJSHX-QFIPXVFZSA-N 0 0 499.704 4.843 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](C)C1 ZINC001360980624 1066138553 /nfs/dbraw/zinc/13/85/53/1066138553.db2.gz CGMKJBJSSRGALD-CYBMUJFWSA-N 0 0 464.795 4.661 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001360980358 1066138610 /nfs/dbraw/zinc/13/86/10/1066138610.db2.gz VJRZRGGSKNRMDE-VQTJNVASSA-N 0 0 459.384 4.977 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)N1Cc2ccccc2C1=O ZINC001360981173 1066139579 /nfs/dbraw/zinc/13/95/79/1066139579.db2.gz JHLMLPFPVJPCDE-HTAPYJJXSA-N 0 0 451.567 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCc3cccc4cccnc43)cs2)CC1 ZINC001442574849 1066140170 /nfs/dbraw/zinc/14/01/70/1066140170.db2.gz MVXQNPLGLLPHSQ-UHFFFAOYSA-N 0 0 452.580 4.736 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)c2c(F)ccc(Br)c2F)cc1Cl ZINC001442575111 1066140250 /nfs/dbraw/zinc/14/02/50/1066140250.db2.gz UPFZGWDEUDEMKZ-UHFFFAOYSA-N 0 0 459.703 4.913 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc3c(Br)cnn3c2)cc1 ZINC001360981847 1066140685 /nfs/dbraw/zinc/14/06/85/1066140685.db2.gz XKJGNZDPRGKZBM-CYBMUJFWSA-N 0 0 459.344 4.935 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360982187 1066141228 /nfs/dbraw/zinc/14/12/28/1066141228.db2.gz CYMFZVZTFKQELJ-UHFFFAOYSA-N 0 0 485.938 4.740 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360982188 1066141263 /nfs/dbraw/zinc/14/12/63/1066141263.db2.gz DBMWORDVIDXUJV-DYESRHJHSA-N 0 0 490.048 4.975 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)C1 ZINC001442586975 1066141352 /nfs/dbraw/zinc/14/13/52/1066141352.db2.gz RRYAXWWSSXZDGU-SFHVURJKSA-N 0 0 450.023 4.873 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001360982248 1066141605 /nfs/dbraw/zinc/14/16/05/1066141605.db2.gz GDOXVZYPLHDZNQ-UHFFFAOYSA-N 0 0 458.031 4.610 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360982542 1066142091 /nfs/dbraw/zinc/14/20/91/1066142091.db2.gz OGURUACOOHAHEL-JOCHJYFZSA-N 0 0 468.976 4.810 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360982334 1066142199 /nfs/dbraw/zinc/14/21/99/1066142199.db2.gz JABMYNZRJZKBKL-PZJWPPBQSA-N 0 0 474.049 4.661 20 0 JJADRN O=C(NCCCOC1CCCC1)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001442594479 1066142240 /nfs/dbraw/zinc/14/22/40/1066142240.db2.gz OXRUHZXYYVVNEA-UHFFFAOYSA-N 0 0 451.386 4.842 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001360982791 1066142744 /nfs/dbraw/zinc/14/27/44/1066142744.db2.gz VKDXBZFTZMAQIM-IRXDYDNUSA-N 0 0 496.015 4.541 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/c3ccsc3C(F)(F)F)CC2)cc1 ZINC001442604785 1066143201 /nfs/dbraw/zinc/14/32/01/1066143201.db2.gz ADFJSYPLTULJNM-VMPITWQZSA-N 0 0 452.498 4.600 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)/C=C\c3ccsc3C(F)(F)F)CC2)cc1 ZINC001442604786 1066143260 /nfs/dbraw/zinc/14/32/60/1066143260.db2.gz ADFJSYPLTULJNM-YVMONPNESA-N 0 0 452.498 4.600 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545950410 1066144028 /nfs/dbraw/zinc/14/40/28/1066144028.db2.gz PQUHUURUYHFQRT-APWZRJJASA-N 0 0 499.553 4.683 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)C(F)(F)F)o1 ZINC001442609795 1066144276 /nfs/dbraw/zinc/14/42/76/1066144276.db2.gz NZWBGKPHKPTJEG-QRQCRPRQSA-N 0 0 452.473 4.690 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C)C1 ZINC001360983724 1066144272 /nfs/dbraw/zinc/14/42/72/1066144272.db2.gz GXOPJKMUFKINIA-AWEZNQCLSA-N 0 0 491.448 4.926 20 0 JJADRN Cc1c([C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)cnn1-c1ccc(F)cc1 ZINC001442609375 1066144375 /nfs/dbraw/zinc/14/43/75/1066144375.db2.gz IDGDSWSVCXOZRX-CQSZACIVSA-N 0 0 454.502 4.863 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)C(F)(F)F)o1 ZINC001442609781 1066144388 /nfs/dbraw/zinc/14/43/88/1066144388.db2.gz NZWBGKPHKPTJEG-IVZQSRNASA-N 0 0 452.473 4.690 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccsc1 ZINC001360983927 1066144815 /nfs/dbraw/zinc/14/48/15/1066144815.db2.gz JSURYJPEXOFFBT-UHFFFAOYSA-N 0 0 469.014 4.972 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001360984205 1066145196 /nfs/dbraw/zinc/14/51/96/1066145196.db2.gz PALHZJMCYGDAFR-HXUWFJFHSA-N 0 0 473.046 4.842 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C)CC1 ZINC001360984234 1066145232 /nfs/dbraw/zinc/14/52/32/1066145232.db2.gz PXWVZWYFUWJHSQ-MJGOQNOKSA-N 0 0 460.022 4.789 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCCC(C)(C)C1 ZINC001360984219 1066145258 /nfs/dbraw/zinc/14/52/58/1066145258.db2.gz PNAIAMHWBZCOLX-UHFFFAOYSA-N 0 0 467.017 4.881 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C)CC1 ZINC001360984232 1066145262 /nfs/dbraw/zinc/14/52/62/1066145262.db2.gz PXWVZWYFUWJHSQ-HKUYNNGSSA-N 0 0 460.022 4.789 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)C1 ZINC001360984165 1066145295 /nfs/dbraw/zinc/14/52/95/1066145295.db2.gz OKHQJNQZUZXGSE-UHYCVJNDSA-N 0 0 463.985 4.695 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442612055 1066145310 /nfs/dbraw/zinc/14/53/10/1066145310.db2.gz CVIIMHWXRGLGHN-PWIZWCRZSA-N 0 0 451.325 4.522 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1coc(-c2cccs2)n1 ZINC001360984333 1066145732 /nfs/dbraw/zinc/14/57/32/1066145732.db2.gz SQFWQPOVJFLJJM-UHFFFAOYSA-N 0 0 464.595 4.858 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 ZINC001360984260 1066145744 /nfs/dbraw/zinc/14/57/44/1066145744.db2.gz QOMBZSRQKWFVSB-UHFFFAOYSA-N 0 0 496.059 4.579 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCC(C)CC1 ZINC001360984351 1066145769 /nfs/dbraw/zinc/14/57/69/1066145769.db2.gz TZNKLUDDHLGPLV-AVAKVYKDSA-N 0 0 460.022 4.788 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1C ZINC001360984322 1066145799 /nfs/dbraw/zinc/14/57/99/1066145799.db2.gz SEJNGARPTJOBPL-AWEZNQCLSA-N 0 0 459.381 4.973 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCC(C)CC1 ZINC001360984352 1066145824 /nfs/dbraw/zinc/14/58/24/1066145824.db2.gz TZNKLUDDHLGPLV-CUYAVPTFSA-N 0 0 460.022 4.788 20 0 JJADRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC001442621091 1066145760 /nfs/dbraw/zinc/14/57/60/1066145760.db2.gz WZKHLNRQPNWTPD-LJQANCHMSA-N 0 0 456.539 4.569 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360984358 1066146245 /nfs/dbraw/zinc/14/62/45/1066146245.db2.gz UCTYQISZNUGSOK-QZTJIDSGSA-N 0 0 467.017 4.737 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360984387 1066146259 /nfs/dbraw/zinc/14/62/59/1066146259.db2.gz VHZHXWICENGLQM-SFHVURJKSA-N 0 0 488.970 4.736 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)C3(c4cccc(Br)c4)CC(=O)C3)cc2)cs1 ZINC001442637270 1066146300 /nfs/dbraw/zinc/14/63/00/1066146300.db2.gz OWYBVEVISPGRML-UHFFFAOYSA-N 0 0 455.377 4.798 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)Oc1ccccc1F ZINC001545950616 1066146826 /nfs/dbraw/zinc/14/68/26/1066146826.db2.gz SOWBJUHFYAQDBM-FQEVSTJZSA-N 0 0 483.588 4.698 20 0 JJADRN Cc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(Br)c1 ZINC001442651921 1066146874 /nfs/dbraw/zinc/14/68/74/1066146874.db2.gz ABOXZWDJMIYAQI-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC001360984957 1066147219 /nfs/dbraw/zinc/14/72/19/1066147219.db2.gz MIGXZVUNKRDVPS-HXUWFJFHSA-N 0 0 457.958 4.589 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCC1(C)C ZINC001360985546 1066147787 /nfs/dbraw/zinc/14/77/87/1066147787.db2.gz DXJOEKSVYKFJHH-NHCUHLMSSA-N 0 0 453.631 4.690 20 0 JJADRN CC(C)(NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(Cl)c(Cl)c1 ZINC001442658195 1066148120 /nfs/dbraw/zinc/14/81/20/1066148120.db2.gz HTIGOQUNXJOGFO-UHFFFAOYSA-N 0 0 458.139 4.752 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c2)n1 ZINC001442660433 1066148187 /nfs/dbraw/zinc/14/81/87/1066148187.db2.gz MPURRWQZQGKQJB-NRFANRHFSA-N 0 0 450.514 4.503 20 0 JJADRN CCCNC(=O)[C@H]1CCCN(C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)C1 ZINC001442663975 1066148824 /nfs/dbraw/zinc/14/88/24/1066148824.db2.gz SVJFPYRHZNKMAJ-INIZCTEOSA-N 0 0 458.400 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c2ccccc21 ZINC001442662489 1066148865 /nfs/dbraw/zinc/14/88/65/1066148865.db2.gz QCUCUHLFDDZFNS-IFMALSPDSA-N 0 0 454.542 4.872 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442662706 1066148873 /nfs/dbraw/zinc/14/88/73/1066148873.db2.gz BNAXNOKNPXSXAX-GOSISDBHSA-N 0 0 451.748 4.500 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545950733 1066149484 /nfs/dbraw/zinc/14/94/84/1066149484.db2.gz VQBDXVGQKZPXAP-RTBURBONSA-N 0 0 457.619 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001442668747 1066149894 /nfs/dbraw/zinc/14/98/94/1066149894.db2.gz QECNIXLBYWGGPF-BVYCBKJFSA-N 0 0 480.561 4.691 20 0 JJADRN Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986112 1066150187 /nfs/dbraw/zinc/15/01/87/1066150187.db2.gz UJNMXDYKZBKCQU-UHFFFAOYSA-N 0 0 465.646 4.544 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360986244 1066150231 /nfs/dbraw/zinc/15/02/31/1066150231.db2.gz YICRPKOVWFNHPD-XXBNENTESA-N 0 0 476.625 4.627 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F ZINC001442672266 1066150648 /nfs/dbraw/zinc/15/06/48/1066150648.db2.gz FRRBBNAYVDHYSK-SFHVURJKSA-N 0 0 456.514 4.943 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC001442672529 1066150693 /nfs/dbraw/zinc/15/06/93/1066150693.db2.gz WFIKEKFOVYVQMZ-HNNXBMFYSA-N 0 0 458.605 4.864 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986282 1066150764 /nfs/dbraw/zinc/15/07/64/1066150764.db2.gz ZNANSJMQBIIICS-WIYYLYMNSA-N 0 0 480.613 4.620 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCO1 ZINC001360986301 1066150835 /nfs/dbraw/zinc/15/08/35/1066150835.db2.gz AGDRRIPIFKCQMH-WMZOPIPTSA-N 0 0 493.439 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCO1 ZINC001360986298 1066150847 /nfs/dbraw/zinc/15/08/47/1066150847.db2.gz AGDRRIPIFKCQMH-AEFFLSMTSA-N 0 0 493.439 4.891 20 0 JJADRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442676996 1066151363 /nfs/dbraw/zinc/15/13/63/1066151363.db2.gz VXYIZCKMIMBUGU-GOEBONIOSA-N 0 0 451.398 4.645 20 0 JJADRN Cc1noc(C)c1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986332 1066151410 /nfs/dbraw/zinc/15/14/10/1066151410.db2.gz AXEFTNWAFXHSMV-UYAOXDASSA-N 0 0 474.005 4.761 20 0 JJADRN Cc1nnc(Sc2ccc(NC(=O)c3ccc(NCCn4ccnc4)cc3)c(C)c2)s1 ZINC001442685639 1066151901 /nfs/dbraw/zinc/15/19/01/1066151901.db2.gz XIPLCNGHVVVBCH-UHFFFAOYSA-N 0 0 450.593 4.867 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 ZINC001442709347 1066153564 /nfs/dbraw/zinc/15/35/64/1066153564.db2.gz OVRVVCRAUFHTCX-CVCYQNGTSA-N 0 0 450.560 4.767 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cs1)C(N)=O ZINC001442709184 1066153574 /nfs/dbraw/zinc/15/35/74/1066153574.db2.gz OBONIFIPMVQPOW-YWZLYKJASA-N 0 0 454.621 4.853 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001442708196 1066153605 /nfs/dbraw/zinc/15/36/05/1066153605.db2.gz LNLAZZJDCIMRBQ-SJLPKXTDSA-N 0 0 458.274 4.874 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCCCC2)n1CCNC(=O)C1CC1 ZINC001360986662 1066153655 /nfs/dbraw/zinc/15/36/55/1066153655.db2.gz JLRLLEXCKIQQFE-GOSISDBHSA-N 0 0 474.049 4.983 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360986692 1066154273 /nfs/dbraw/zinc/15/42/73/1066154273.db2.gz JVUWUOMDOOWURM-NZSAHSFTSA-N 0 0 492.089 4.545 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711005 1066154325 /nfs/dbraw/zinc/15/43/25/1066154325.db2.gz TZLBSGKYQWZWNV-CLOONOSVSA-N 0 0 459.594 4.829 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cscn1 ZINC001360986741 1066154596 /nfs/dbraw/zinc/15/45/96/1066154596.db2.gz KZRGGQVBHRHVFQ-HNNXBMFYSA-N 0 0 490.058 4.989 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CCc1ccsc1 ZINC001360986750 1066154751 /nfs/dbraw/zinc/15/47/51/1066154751.db2.gz LEADVHCEBGLILX-IAGOWNOFSA-N 0 0 476.046 4.693 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCCCC2)n1Cc1ccc(C(N)=O)nc1 ZINC001360986866 1066155632 /nfs/dbraw/zinc/15/56/32/1066155632.db2.gz NYKPUSZUGZTAAQ-GOSISDBHSA-N 0 0 497.043 4.999 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001442724218 1066155600 /nfs/dbraw/zinc/15/56/00/1066155600.db2.gz OYULHVJHJJVLGG-UHFFFAOYSA-N 0 0 453.296 4.673 20 0 JJADRN Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1Oc1ccncc1 ZINC001442723991 1066155696 /nfs/dbraw/zinc/15/56/96/1066155696.db2.gz OJNSKWRHMXBFPB-UHFFFAOYSA-N 0 0 450.296 4.982 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001442721150 1066155723 /nfs/dbraw/zinc/15/57/23/1066155723.db2.gz DAWCJLUJLOANCW-OAHLLOKOSA-N 0 0 455.274 4.503 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCCO2)n1CC1([S@](C)=O)CC1 ZINC001360986911 1066155692 /nfs/dbraw/zinc/15/56/92/1066155692.db2.gz OQPTYKXAGMQJGQ-QZNUFANNSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@H]1CCCS1 ZINC001360987048 1066156297 /nfs/dbraw/zinc/15/62/97/1066156297.db2.gz REYBDPORZOAOEI-QRQLOZEOSA-N 0 0 451.036 4.809 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cnnn1C ZINC001360987090 1066156610 /nfs/dbraw/zinc/15/66/10/1066156610.db2.gz RZXJLYNKDMCFMR-DLBZAZTESA-N 0 0 469.977 4.656 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)C)n1CCNC(=O)c1ccco1 ZINC001360987084 1066156706 /nfs/dbraw/zinc/15/67/06/1066156706.db2.gz RZFHNOBKMRMZIC-GOSISDBHSA-N 0 0 474.005 4.804 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cnnn1C ZINC001360987091 1066156953 /nfs/dbraw/zinc/15/69/53/1066156953.db2.gz RZXJLYNKDMCFMR-IAGOWNOFSA-N 0 0 469.977 4.656 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCCCC2)n1Cc1nncn1C ZINC001360987135 1066156964 /nfs/dbraw/zinc/15/69/64/1066156964.db2.gz SWMOVHKAIJCPCU-SFHVURJKSA-N 0 0 472.037 4.882 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccc(Br)c(C)c3)CC2)c1 ZINC001442755391 1066157065 /nfs/dbraw/zinc/15/70/65/1066157065.db2.gz DVANVWNMHXCYCG-UHFFFAOYSA-N 0 0 458.400 4.720 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC001442758585 1066157509 /nfs/dbraw/zinc/15/75/09/1066157509.db2.gz HCOAWKVIDPJBNT-UHFFFAOYSA-N 0 0 457.147 4.965 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001442761142 1066157868 /nfs/dbraw/zinc/15/78/68/1066157868.db2.gz FTQWSKUIWQLSLH-IBGZPJMESA-N 0 0 457.785 4.605 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@H](C)Nc2ccnn21 ZINC001442760792 1066157921 /nfs/dbraw/zinc/15/79/21/1066157921.db2.gz CHWAYLNTSRYBMR-ZMSDIMECSA-N 0 0 452.946 4.594 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@H]1CC(F)(F)CO1 ZINC001360987278 1066158076 /nfs/dbraw/zinc/15/80/76/1066158076.db2.gz WZNRYDMUSLYRKQ-MAUKXSAKSA-N 0 0 481.931 4.737 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC001442762507 1066158233 /nfs/dbraw/zinc/15/82/33/1066158233.db2.gz HXYIOIOABPQMEY-BJKOFHAPSA-N 0 0 459.030 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)C)n1CC[C@H]1COCCO1 ZINC001360987285 1066158322 /nfs/dbraw/zinc/15/83/22/1066158322.db2.gz XBVYYLUEPGEWTE-ICSRJNTNSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H]1C[C@H]1C ZINC001360987407 1066158371 /nfs/dbraw/zinc/15/83/71/1066158371.db2.gz XIQAOESILVUJKK-XYPHTWIQSA-N 0 0 493.990 4.837 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001442766514 1066158534 /nfs/dbraw/zinc/15/85/34/1066158534.db2.gz OBQUUFGBQDFKPC-HSZRJFAPSA-N 0 0 455.574 4.521 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001442766519 1066158641 /nfs/dbraw/zinc/15/86/41/1066158641.db2.gz OBQUUFGBQDFKPC-QHCPKHFHSA-N 0 0 455.574 4.521 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3Cc4cc(Br)ccc4O3)cc2)cc1 ZINC001442766185 1066158665 /nfs/dbraw/zinc/15/86/65/1066158665.db2.gz UKFCVRXTGVAHEL-NRFANRHFSA-N 0 0 452.304 4.919 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001442769718 1066159021 /nfs/dbraw/zinc/15/90/21/1066159021.db2.gz QHQCAHULSQKXRW-ACSPXDACSA-N 0 0 456.867 4.859 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001442769741 1066159042 /nfs/dbraw/zinc/15/90/42/1066159042.db2.gz QHQCAHULSQKXRW-UMSHPIDHSA-N 0 0 456.867 4.859 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1OC ZINC001360988256 1066159089 /nfs/dbraw/zinc/15/90/89/1066159089.db2.gz YRSSEZXVLPBAIM-KRWDZBQOSA-N 0 0 458.562 4.630 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1CC(F)(F)F ZINC001360989162 1066159501 /nfs/dbraw/zinc/15/95/01/1066159501.db2.gz ABJRPZIBCNLPQA-OAHLLOKOSA-N 0 0 456.900 4.584 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1[C@@H]1C[C@H]1C ZINC001360989237 1066160037 /nfs/dbraw/zinc/16/00/37/1066160037.db2.gz BFEIOSQGOHLZMJ-WIBUTAKZSA-N 0 0 460.022 4.751 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@](C)(O)C1CC1 ZINC001360989273 1066160055 /nfs/dbraw/zinc/16/00/55/1066160055.db2.gz BSQGGQBNRSNEHR-ATLLOTDBSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@](C)(O)C1CC1 ZINC001360989274 1066160061 /nfs/dbraw/zinc/16/00/61/1066160061.db2.gz BSQGGQBNRSNEHR-DPOKWSEZSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccn(C)n1 ZINC001360989314 1066160458 /nfs/dbraw/zinc/16/04/58/1066160458.db2.gz CLAZBYYRBUYDRL-AYOQOUSVSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCOCCCO ZINC001360989348 1066160675 /nfs/dbraw/zinc/16/06/75/1066160675.db2.gz CUDIVTCCPUYGOQ-PWIZWCRZSA-N 0 0 465.038 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCC(=O)NC(C)C ZINC001360989365 1066160694 /nfs/dbraw/zinc/16/06/94/1066160694.db2.gz DCRXYCMQNIUFLY-ATZDWAIDSA-N 0 0 462.038 4.838 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1(C)CCCS1 ZINC001360989352 1066160737 /nfs/dbraw/zinc/16/07/37/1066160737.db2.gz CUZGFQHNHDXNAH-XDHUDOTRSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1CCCC1 ZINC001360989546 1066161888 /nfs/dbraw/zinc/16/18/88/1066161888.db2.gz GXQLIYQXKOBEKT-ICSRJNTNSA-N 0 0 474.049 4.970 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360989621 1066162541 /nfs/dbraw/zinc/16/25/41/1066162541.db2.gz HVPVEDHGODCCKX-KZNAEPCWSA-N 0 0 496.002 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360989688 1066163153 /nfs/dbraw/zinc/16/31/53/1066163153.db2.gz JBNHHCKIBRTERL-OTWHNJEPSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1CCCS(C)(=O)=O ZINC001360989769 1066163523 /nfs/dbraw/zinc/16/35/23/1066163523.db2.gz KLSDATCDXYXEEN-GGPKGHCWSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CCC(C)(C)O ZINC001360989789 1066163921 /nfs/dbraw/zinc/16/39/21/1066163921.db2.gz KUTBGZMMEDFSET-CLOONOSVSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1CCn1cncn1 ZINC001360989905 1066164204 /nfs/dbraw/zinc/16/42/04/1066164204.db2.gz MUFNYWFGBASSIJ-GOSISDBHSA-N 0 0 458.010 4.606 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001360989919 1066164603 /nfs/dbraw/zinc/16/46/03/1066164603.db2.gz NBILIHLJFGMISB-CRAIPNDOSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC3(CCC3)C2)n1CCCC(=O)N(C)C ZINC001360990037 1066165180 /nfs/dbraw/zinc/16/51/80/1066165180.db2.gz PDKNRVCOIDZPJA-IBGZPJMESA-N 0 0 474.049 4.937 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(=O)N(C)C ZINC001360990052 1066165232 /nfs/dbraw/zinc/16/52/32/1066165232.db2.gz PILUWDGGSAMRHT-QZTJIDSGSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1(O)CCSC1 ZINC001360990144 1066165833 /nfs/dbraw/zinc/16/58/33/1066165833.db2.gz QGXSWTVDEQKSRW-LLJLJFOGSA-N 0 0 495.089 4.560 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCCC(C)C ZINC001360990226 1066166507 /nfs/dbraw/zinc/16/65/07/1066166507.db2.gz RLHBAYWYSQTYTH-SBHAEUEKSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCCC(F)(F)F ZINC001360990309 1066167210 /nfs/dbraw/zinc/16/72/10/1066167210.db2.gz SROXWXNFRZLWFL-VFNWGFHPSA-N 0 0 487.954 4.733 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001360990429 1066167558 /nfs/dbraw/zinc/16/75/58/1066167558.db2.gz VMEMUUZQHLJGDP-QTGUNEKASA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCO[C@@H]1CCOC1 ZINC001360990476 1066167764 /nfs/dbraw/zinc/16/77/64/1066167764.db2.gz WBVFJOBYUDUOGP-PKOBYXMFSA-N 0 0 484.975 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCO[C@@H]1CCOC1 ZINC001360990474 1066167785 /nfs/dbraw/zinc/16/77/85/1066167785.db2.gz WBVFJOBYUDUOGP-IEBWSBKVSA-N 0 0 484.975 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCCO1 ZINC001360990482 1066167796 /nfs/dbraw/zinc/16/77/96/1066167796.db2.gz WDCBBOFWGHMWHR-UGKGYDQZSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@]1(O)CCO[C@H]1C ZINC001360990536 1066167929 /nfs/dbraw/zinc/16/79/29/1066167929.db2.gz XAAALBKPJJRVIT-TZQUBDQNSA-N 0 0 477.049 4.711 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](c2ccncc2)C2CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990731 1066168756 /nfs/dbraw/zinc/16/87/56/1066168756.db2.gz CGXAWZKEVZFZBJ-UQBPGWFLSA-N 0 0 454.014 4.701 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360990644 1066168760 /nfs/dbraw/zinc/16/87/60/1066168760.db2.gz YTCURNDFTPJSPC-GEZZUNRVSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C3CC3)C2)n1CCCC(=O)N(C)C ZINC001360990840 1066169246 /nfs/dbraw/zinc/16/92/46/1066169246.db2.gz ZYJCYZQRPJWQLP-ICSRJNTNSA-N 0 0 474.049 4.793 20 0 JJADRN C[C@H]1CN(C(=O)c2coc(-c3ccccc3Cl)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360990984 1066169287 /nfs/dbraw/zinc/16/92/87/1066169287.db2.gz IGBTZZKKLKDLCZ-HNNXBMFYSA-N 0 0 458.345 4.564 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1[C@@H]1C[C@H]1CF ZINC001360991213 1066169462 /nfs/dbraw/zinc/16/94/62/1066169462.db2.gz AJUOUEBBMAWNFI-IRFCIJBXSA-N 0 0 492.039 4.914 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C[C@@H]2OCc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001360991517 1066169952 /nfs/dbraw/zinc/16/99/52/1066169952.db2.gz SQLNSSSQWSBREI-UPVQGACJSA-N 0 0 455.963 4.611 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC(C)(F)F ZINC001360991463 1066170007 /nfs/dbraw/zinc/17/00/07/1066170007.db2.gz CQFMIGWIVHLHGF-INIZCTEOSA-N 0 0 481.975 4.545 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1C ZINC001360991554 1066170032 /nfs/dbraw/zinc/17/00/32/1066170032.db2.gz UJBNHNLSDRGNCN-DEOSSOPVSA-N 0 0 450.535 4.532 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1C[C@](C)(O)c1ccsc1 ZINC001360991713 1066170547 /nfs/dbraw/zinc/17/05/47/1066170547.db2.gz FDSLOFHTOMQFCF-GGUMNFRJSA-N 0 0 491.057 4.883 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1C[C@](C)(O)c1ccsc1 ZINC001360991733 1066170575 /nfs/dbraw/zinc/17/05/75/1066170575.db2.gz FDSLOFHTOMQFCF-RHGYRFJNSA-N 0 0 491.057 4.883 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1C[C@](C)(O)c1ccco1 ZINC001360991982 1066170782 /nfs/dbraw/zinc/17/07/82/1066170782.db2.gz HYQDENXOKJSFCP-MWTRTKDXSA-N 0 0 470.961 4.666 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1CCC1(O)CCC1 ZINC001360991990 1066170806 /nfs/dbraw/zinc/17/08/06/1066170806.db2.gz IAOZRXNTDUYWLR-QGZVFWFLSA-N 0 0 451.036 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[C@H]1C ZINC001360991998 1066171035 /nfs/dbraw/zinc/17/10/35/1066171035.db2.gz IFFMHNHFASNDGN-ZTFGCOKTSA-N 0 0 467.992 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C1CC1 ZINC001360992004 1066171073 /nfs/dbraw/zinc/17/10/73/1066171073.db2.gz IISYLAQIAFQGEP-QZTJIDSGSA-N 0 0 460.022 4.716 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCC1(O)CCC1 ZINC001360992281 1066171538 /nfs/dbraw/zinc/17/15/38/1066171538.db2.gz MIQZLIXGXLDVHW-FPOVZHCZSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC1(C)CC1 ZINC001360992361 1066171811 /nfs/dbraw/zinc/17/18/11/1066171811.db2.gz NEXQCUXVHNDPJD-ROUUACIJSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC1(C)CC1 ZINC001360992362 1066171841 /nfs/dbraw/zinc/17/18/41/1066171841.db2.gz NEXQCUXVHNDPJD-ZWKOTPCHSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCCC2)n1Cc1ncn(C)n1 ZINC001360992669 1066172011 /nfs/dbraw/zinc/17/20/11/1066172011.db2.gz QOKSAPBEHPQEIL-GOSISDBHSA-N 0 0 458.010 4.636 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSCC2)n1CC1(O)CCCC1 ZINC001360992889 1066172510 /nfs/dbraw/zinc/17/25/10/1066172510.db2.gz VSVUTTVASGLRLX-KRWDZBQOSA-N 0 0 451.036 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360992793 1066172574 /nfs/dbraw/zinc/17/25/74/1066172574.db2.gz UTYOSAIGCBYXGB-SCTDSRPQSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC(=O)N(C)C ZINC001360993042 1066172867 /nfs/dbraw/zinc/17/28/67/1066172867.db2.gz XHEBZXCFYRTRKS-RRQZXNHTSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCCO1 ZINC001360993109 1066173147 /nfs/dbraw/zinc/17/31/47/1066173147.db2.gz YXDUKDPVIRLOTQ-JQHSSLGASA-N 0 0 488.938 4.635 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)c(F)c3)CC2)c(C)o1 ZINC001360994290 1066173569 /nfs/dbraw/zinc/17/35/69/1066173569.db2.gz GSWQFOGYPCNOCI-UHFFFAOYSA-N 0 0 485.579 4.560 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCCc3ccccc3F)CC2)c(C)o1 ZINC001360994429 1066173614 /nfs/dbraw/zinc/17/36/14/1066173614.db2.gz LTUPVJDIIAUARR-UHFFFAOYSA-N 0 0 481.616 4.811 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCCCN(C)c3ccccc3)CC2)c(C)o1 ZINC001360994527 1066173777 /nfs/dbraw/zinc/17/37/77/1066173777.db2.gz PGJWPMSEYDGXMS-UHFFFAOYSA-N 0 0 492.668 4.565 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccccc3C)CC2)c(C)o1 ZINC001360994685 1066173811 /nfs/dbraw/zinc/17/38/11/1066173811.db2.gz WVLSVDYXFBYRKN-FQEVSTJZSA-N 0 0 493.652 4.960 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(-c4ccccc4F)n3CCSCC(C)C)CC2)c(C)o1 ZINC001360994698 1066173817 /nfs/dbraw/zinc/17/38/17/1066173817.db2.gz XPBREWHPJBYEFS-UHFFFAOYSA-N 0 0 485.629 4.646 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)CC2)c(C)o1 ZINC001360994676 1066173828 /nfs/dbraw/zinc/17/38/28/1066173828.db2.gz WMIKPEOZUYCXEG-UHFFFAOYSA-N 0 0 497.615 4.995 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCSCc3ccccc3)CC2)c(C)o1 ZINC001360994732 1066173838 /nfs/dbraw/zinc/17/38/38/1066173838.db2.gz YQNBASGYYPGDOO-UHFFFAOYSA-N 0 0 481.666 4.681 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4)n3CCCC(F)(F)F)CC2)c(C)o1 ZINC001360994854 1066174097 /nfs/dbraw/zinc/17/40/97/1066174097.db2.gz CAPLKEFCAQZEED-UHFFFAOYSA-N 0 0 475.515 4.896 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3Cc3ccccc3OC(C)C)CC2)c(C)o1 ZINC001360995630 1066174543 /nfs/dbraw/zinc/17/45/43/1066174543.db2.gz ZUSWUXVLBCCWPF-UHFFFAOYSA-N 0 0 493.652 4.921 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCCc3nccs3)CC2)c(C)o1 ZINC001360995432 1066174553 /nfs/dbraw/zinc/17/45/53/1066174553.db2.gz WDBDIBZUQQZMQV-UHFFFAOYSA-N 0 0 484.670 4.565 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(C)C)C2)c(C)o1 ZINC001360997088 1066175417 /nfs/dbraw/zinc/17/54/17/1066175417.db2.gz ACQCNZNRYZFAKQ-KDYSTLNUSA-N 0 0 479.625 4.747 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(C)C)C2)c(C)o1 ZINC001360997087 1066175517 /nfs/dbraw/zinc/17/55/17/1066175517.db2.gz ACQCNZNRYZFAKQ-JIPXPUAJSA-N 0 0 479.625 4.747 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H]2CCOC2)c(C)o1 ZINC001360997225 1066175665 /nfs/dbraw/zinc/17/56/65/1066175665.db2.gz CZODFNNKAGRKLY-QMHKHESXSA-N 0 0 479.408 4.842 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)c(C)o1 ZINC001360997154 1066175672 /nfs/dbraw/zinc/17/56/72/1066175672.db2.gz BPBMQAAEKCBZDA-MHZLTWQESA-N 0 0 476.625 4.730 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccccc3Cl)C2)c(C)o1 ZINC001360997562 1066176395 /nfs/dbraw/zinc/17/63/95/1066176395.db2.gz KAYJNJMLFXFDQH-ZJSXRUAMSA-N 0 0 458.990 4.750 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C)C2)c(C)o1 ZINC001360997841 1066176633 /nfs/dbraw/zinc/17/66/33/1066176633.db2.gz PAUYPWZIGHQYEX-JLCFBVMHSA-N 0 0 465.381 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)c(C)o1 ZINC001360998256 1066177511 /nfs/dbraw/zinc/17/75/11/1066177511.db2.gz XYKPAJRGPQGVTL-HSZRJFAPSA-N 0 0 489.407 4.739 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)o1 ZINC001360998423 1066177745 /nfs/dbraw/zinc/17/77/45/1066177745.db2.gz BGDZPJFVMYEDTN-PKXCFLMKSA-N 0 0 470.639 4.598 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3ncccc3F)CC2)c(C)o1 ZINC001360999795 1066178166 /nfs/dbraw/zinc/17/81/66/1066178166.db2.gz ONBKCSDSFVFMJN-SANMLTNESA-N 0 0 485.604 4.566 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)c2ccccc2)c(C)o1 ZINC001360999812 1066178381 /nfs/dbraw/zinc/17/83/81/1066178381.db2.gz OSWDOBASQYXNBV-QCIUDXLNSA-N 0 0 452.599 4.530 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)c2ccccc2)c(C)o1 ZINC001360999811 1066178407 /nfs/dbraw/zinc/17/84/07/1066178407.db2.gz OSWDOBASQYXNBV-NDKUEENFSA-N 0 0 452.599 4.530 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(C)C)c2)c(C)o1 ZINC001361000469 1066178587 /nfs/dbraw/zinc/17/85/87/1066178587.db2.gz UVTUVFHSBZRLEG-CUNXSJBXSA-N 0 0 482.625 4.713 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCSC2)c(C)o1 ZINC001361000425 1066178619 /nfs/dbraw/zinc/17/86/19/1066178619.db2.gz UJGNNAOJESVVRS-OPAMFIHVSA-N 0 0 491.455 4.767 20 0 JJADRN COC(=O)c1cc(NC(=O)c2nc(-c3ccccc3F)oc2C)c(Br)cc1F ZINC001361001108 1066178802 /nfs/dbraw/zinc/17/88/02/1066178802.db2.gz JHNCQMBCKFBIJN-UHFFFAOYSA-N 0 0 451.223 4.730 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001361001233 1066179048 /nfs/dbraw/zinc/17/90/48/1066179048.db2.gz LZQNMXRDFNAROE-NFBKMPQASA-N 0 0 454.368 4.720 20 0 JJADRN O=C(NCc1cccc(Cl)c1F)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001361002086 1066179067 /nfs/dbraw/zinc/17/90/67/1066179067.db2.gz LAEFLPOOULVDDW-UHFFFAOYSA-N 0 0 458.942 4.551 20 0 JJADRN O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Br)cc(I)c1 ZINC001361001334 1066179079 /nfs/dbraw/zinc/17/90/79/1066179079.db2.gz OHSJGISMYNSYEH-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](OCC(C)C)C2)c(C)o1 ZINC001361002175 1066179225 /nfs/dbraw/zinc/17/92/25/1066179225.db2.gz BGYQGNOFEMWVGG-RBJSKKJNSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](OCC(C)C)C2)c(C)o1 ZINC001361002177 1066179235 /nfs/dbraw/zinc/17/92/35/1066179235.db2.gz BGYQGNOFEMWVGG-YWEHKCAJSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCCC[C@@H](C)C2)c(C)o1 ZINC001361002362 1066179240 /nfs/dbraw/zinc/17/92/40/1066179240.db2.gz DBDHMPZLDHKDFO-CRICUBBOSA-N 0 0 456.562 4.740 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)c(C)o1 ZINC001361002172 1066179247 /nfs/dbraw/zinc/17/92/47/1066179247.db2.gz BGYHZDHVHPYUPQ-QUGAMOGWSA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC(C(F)(F)F)CC2)c(C)o1 ZINC001361002307 1066179270 /nfs/dbraw/zinc/17/92/70/1066179270.db2.gz BTAAMLTUTCOURE-OAQYLSRUSA-N 0 0 468.545 4.827 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)c(C)o1 ZINC001361002173 1066179286 /nfs/dbraw/zinc/17/92/86/1066179286.db2.gz BGYHZDHVHPYUPQ-WGDIFIGCSA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N(C)CC(F)(F)F)nnc2C2(c3ccccc3)CCC2)c(C)o1 ZINC001361002730 1066179795 /nfs/dbraw/zinc/17/97/95/1066179795.db2.gz HBHLHNXIYIIKCT-QFIPXVFZSA-N 0 0 462.516 4.864 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCN([C@@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002975 1066179964 /nfs/dbraw/zinc/17/99/64/1066179964.db2.gz LVNINHYOWHSXGF-AVRWGWEMSA-N 0 0 471.671 4.638 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC3CC3)nnc2N(C)Cc2ccc(Br)cc2)c(C)o1 ZINC001361002889 1066180033 /nfs/dbraw/zinc/18/00/33/1066180033.db2.gz JZTNKPKYJFUNFW-HSZRJFAPSA-N 0 0 473.415 4.747 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ccccc3)C2)c(C)o1 ZINC001361003160 1066180493 /nfs/dbraw/zinc/18/04/93/1066180493.db2.gz PMUFRXLUZLXIGK-BKMJKUGQSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CCc3ccccc3)nnc2N(C)C[C@@H](C)c2nccs2)c(C)o1 ZINC001361003539 1066181045 /nfs/dbraw/zinc/18/10/45/1066181045.db2.gz WYPIDYXJLKTDFP-DWXRJYCRSA-N 0 0 479.650 4.877 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCCc2ccccn2)c(C)o1 ZINC001361003547 1066181111 /nfs/dbraw/zinc/18/11/11/1066181111.db2.gz XAPZZKDRAMEHPQ-HHHXNRCGSA-N 0 0 495.574 4.729 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccc3C)nnc2N(C)CCOC(C)(C)C)c(C)o1 ZINC001361003713 1066181936 /nfs/dbraw/zinc/18/19/36/1066181936.db2.gz ZPNCUDFJQXLTLS-AREMUKBSSA-N 0 0 454.615 4.546 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2cscn2)c(C)o1 ZINC001361003718 1066181998 /nfs/dbraw/zinc/18/19/98/1066181998.db2.gz ZPWBGHPYGXACFX-VWLOTQADSA-N 0 0 481.622 4.684 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361004271 1066182509 /nfs/dbraw/zinc/18/25/09/1066182509.db2.gz KNQNLJOTVZMTTD-PXDATVDWSA-N 0 0 474.552 4.549 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(OCCC(C)C)CC2)c1 ZINC001361004395 1066182561 /nfs/dbraw/zinc/18/25/61/1066182561.db2.gz MVIOBKGMIBEXAW-JOCHJYFZSA-N 0 0 467.658 4.658 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1C[C@@H](C)c1cccc(C)c1 ZINC001361004534 1066183066 /nfs/dbraw/zinc/18/30/66/1066183066.db2.gz PDQPIMIAWFJMTC-QGZVFWFLSA-N 0 0 452.990 4.602 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)c3cccc(C)c3)C2)n1 ZINC001361004728 1066183137 /nfs/dbraw/zinc/18/31/37/1066183137.db2.gz RQVYJZQXIIVXMA-NQIIRXRSSA-N 0 0 466.655 4.677 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001361005569 1066184205 /nfs/dbraw/zinc/18/42/05/1066184205.db2.gz UXAPXCCPBSZGHN-OAQYLSRUSA-N 0 0 458.599 4.938 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001361008768 1066190534 /nfs/dbraw/zinc/19/05/34/1066190534.db2.gz SIYZAGGNYHJHKK-FQEVSTJZSA-N 0 0 491.602 4.985 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001361008861 1066190807 /nfs/dbraw/zinc/19/08/07/1066190807.db2.gz WENGBQLYLLGHFA-UHFFFAOYSA-N 0 0 489.933 4.663 20 0 JJADRN Cc1cc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)c2nccs2)c(C)c1 ZINC001361008784 1066190914 /nfs/dbraw/zinc/19/09/14/1066190914.db2.gz SXJUPRLBHDKTAL-LJQANCHMSA-N 0 0 475.622 4.595 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)CCOc1cccc(I)c1 ZINC001361009296 1066191624 /nfs/dbraw/zinc/19/16/24/1066191624.db2.gz JNXZSTWELACDHF-IBGZPJMESA-N 0 0 451.348 4.978 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001361009477 1066192058 /nfs/dbraw/zinc/19/20/58/1066192058.db2.gz NHAYFMRUBUFION-JTQLQIEISA-N 0 0 456.770 4.735 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c1 ZINC001361010136 1066192720 /nfs/dbraw/zinc/19/27/20/1066192720.db2.gz OOLKFTBMFSOBRE-UHFFFAOYSA-N 0 0 458.349 4.810 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)C2)c(C)c1 ZINC001361011042 1066193436 /nfs/dbraw/zinc/19/34/36/1066193436.db2.gz HBHZZQJLCYRLEY-UHFFFAOYSA-N 0 0 450.331 4.855 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@H](c2ccco2)[NH+](C)C)o1 ZINC001361012024 1066196029 /nfs/dbraw/zinc/19/60/29/1066196029.db2.gz MKFZYPUUJJEIAS-NRFANRHFSA-N 0 0 490.608 4.743 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2CC2CC(F)(F)C2)o1 ZINC001361012029 1066196037 /nfs/dbraw/zinc/19/60/37/1066196037.db2.gz MOLVPUJRZFWZRW-UHFFFAOYSA-N 0 0 457.525 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@](C)(O)c2cccs2)o1 ZINC001361012287 1066197438 /nfs/dbraw/zinc/19/74/38/1066197438.db2.gz WBZAZCFBQJMNBN-AREMUKBSSA-N 0 0 493.633 4.816 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC001361012314 1066197461 /nfs/dbraw/zinc/19/74/61/1066197461.db2.gz AVSZRAUAWOYGDQ-QHCPKHFHSA-N 0 0 457.983 4.778 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001361012720 1066198190 /nfs/dbraw/zinc/19/81/90/1066198190.db2.gz NUHXPTMRJHBDBK-HXUWFJFHSA-N 0 0 450.988 4.783 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c1 ZINC001361013551 1066198815 /nfs/dbraw/zinc/19/88/15/1066198815.db2.gz NYZJKWSCVZYJRB-SZNDQCEHSA-N 0 0 453.377 4.964 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2)c(C)c1 ZINC001361013973 1066198878 /nfs/dbraw/zinc/19/88/78/1066198878.db2.gz BKLNMCOTHVJGHQ-QFIPXVFZSA-N 0 0 478.666 4.550 20 0 JJADRN CC(C)OC1CCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 ZINC001361013260 1066198926 /nfs/dbraw/zinc/19/89/26/1066198926.db2.gz GHLHDXYIBLSTPB-UHFFFAOYSA-N 0 0 459.384 4.660 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C2CC(C(C)(C)C)C2)c(C)c1 ZINC001361014074 1066199608 /nfs/dbraw/zinc/19/96/08/1066199608.db2.gz FRSAOBDECMDZFO-QNGMFEMESA-N 0 0 453.631 4.779 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC2(F)CCC2)c(C)c1 ZINC001361014231 1066200583 /nfs/dbraw/zinc/20/05/83/1066200583.db2.gz KOOGGRYNCKVCHR-UHFFFAOYSA-N 0 0 464.589 4.546 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2Cc2nccc(C(F)F)n2)c(C)c1 ZINC001361014632 1066201823 /nfs/dbraw/zinc/20/18/23/1066201823.db2.gz RDUFTGAEHGCIRW-UHFFFAOYSA-N 0 0 483.567 4.712 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361015172 1066202722 /nfs/dbraw/zinc/20/27/22/1066202722.db2.gz PJLIPQRYIKQDNH-OFNKIYASSA-N 0 0 476.625 4.549 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)C[C@H]1OC(=O)c2ccccc21)C1CC1 ZINC001361015812 1066203760 /nfs/dbraw/zinc/20/37/60/1066203760.db2.gz AHNRWBMKBKWGDE-JOCHJYFZSA-N 0 0 450.535 4.817 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC001361015906 1066203967 /nfs/dbraw/zinc/20/39/67/1066203967.db2.gz DHFLHWHBQSAEPP-HXUWFJFHSA-N 0 0 456.589 4.731 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC001361016341 1066204390 /nfs/dbraw/zinc/20/43/90/1066204390.db2.gz MORJOPRSSQUSHP-FQEVSTJZSA-N 0 0 457.573 4.603 20 0 JJADRN Cc1cc(C)cc(CCn2c(N3CCCN(C(=O)c4ccsc4)CC3)nnc2C(C)(C)C)c1 ZINC001361016890 1066204967 /nfs/dbraw/zinc/20/49/67/1066204967.db2.gz HAIHAKYCEUHAEY-UHFFFAOYSA-N 0 0 465.667 4.849 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCn2cccn2)c1 ZINC001361017417 1066206087 /nfs/dbraw/zinc/20/60/87/1066206087.db2.gz SPCMOPGJXZKVGM-QHCPKHFHSA-N 0 0 493.656 4.543 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361017336 1066206155 /nfs/dbraw/zinc/20/61/55/1066206155.db2.gz PXVHLNJDPNUCKY-QHCPKHFHSA-N 0 0 467.658 4.974 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3CCCCO3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361017237 1066206277 /nfs/dbraw/zinc/20/62/77/1066206277.db2.gz MUGCGQDIHCWGCA-HSZRJFAPSA-N 0 0 483.657 4.873 20 0 JJADRN Cc1cc(C)cc(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001361017490 1066206877 /nfs/dbraw/zinc/20/68/77/1066206877.db2.gz UMXJMYXVIFFXLY-LJQANCHMSA-N 0 0 450.530 4.557 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361017886 1066207341 /nfs/dbraw/zinc/20/73/41/1066207341.db2.gz FACSDUDBOWPGDM-UHFFFAOYSA-N 0 0 457.619 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCCC(F)(F)C2)c1 ZINC001361018277 1066207944 /nfs/dbraw/zinc/20/79/44/1066207944.db2.gz KMBWXTQTNPSECC-HXUWFJFHSA-N 0 0 477.600 4.650 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001361019270 1066209179 /nfs/dbraw/zinc/20/91/79/1066209179.db2.gz YMTWLDFFLYKKTC-UHFFFAOYSA-N 0 0 475.515 4.847 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361019313 1066209310 /nfs/dbraw/zinc/20/93/10/1066209310.db2.gz ZAPHJIPVRVIQRZ-FQEVSTJZSA-N 0 0 477.634 4.788 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2cccc(C(F)(F)F)n2)cnn1C ZINC001361020898 1066212365 /nfs/dbraw/zinc/21/23/65/1066212365.db2.gz MCVYQHUHBCEDCF-UHFFFAOYSA-N 0 0 499.541 4.614 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccsc3)n2CCOc2ncccc2F)c1 ZINC001361021139 1066212953 /nfs/dbraw/zinc/21/29/53/1066212953.db2.gz RCBMDYSNJCLVMO-UHFFFAOYSA-N 0 0 467.570 4.785 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2cccs2)s1 ZINC001361021169 1066213629 /nfs/dbraw/zinc/21/36/29/1066213629.db2.gz SCPQWFOGDAHMPF-XMMPIXPASA-N 0 0 483.663 4.844 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(Cl)nc2)s1 ZINC001361021178 1066213849 /nfs/dbraw/zinc/21/38/49/1066213849.db2.gz SHWAUKGXWYNIRV-UHFFFAOYSA-N 0 0 469.014 4.972 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2CCC[C@H]2CCCCO2)c1 ZINC001361021364 1066214544 /nfs/dbraw/zinc/21/45/44/1066214544.db2.gz VUPNXZRIWQAOQM-HXUWFJFHSA-N 0 0 455.628 4.916 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2nccc(C(F)F)n2)s1 ZINC001361021454 1066215221 /nfs/dbraw/zinc/21/52/21/1066215221.db2.gz XLKZSEXEVFBZML-UHFFFAOYSA-N 0 0 485.564 4.651 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2C[C@@H](C)O[C@H](C)C2)no1 ZINC001361022120 1066216335 /nfs/dbraw/zinc/21/63/35/1066216335.db2.gz GUHCSKZRNIXRSQ-RTBURBONSA-N 0 0 453.587 4.610 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2CCC(=O)NC2CCCCC2)c1 ZINC001361022192 1066216832 /nfs/dbraw/zinc/21/68/32/1066216832.db2.gz INDXLUPCMFMJPF-UHFFFAOYSA-N 0 0 481.563 4.702 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361022167 1066216922 /nfs/dbraw/zinc/21/69/22/1066216922.db2.gz IEQARWOOYFQSNQ-SLSDLSHTSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361022353 1066217294 /nfs/dbraw/zinc/21/72/94/1066217294.db2.gz NUMYRWOCDFGJQB-SFTDATJTSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CCCCS2)c1 ZINC001361022308 1066217385 /nfs/dbraw/zinc/21/73/85/1066217385.db2.gz MKXUVMGMBPRHCD-QFIPXVFZSA-N 0 0 474.671 4.595 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361022494 1066217844 /nfs/dbraw/zinc/21/78/44/1066217844.db2.gz SFFDFUYCRZTUKR-FQEVSTJZSA-N 0 0 489.542 4.799 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)no1 ZINC001361022675 1066218574 /nfs/dbraw/zinc/21/85/74/1066218574.db2.gz YFXSDTUJRHKQIS-IBGZPJMESA-N 0 0 498.628 4.568 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361024004 1066220722 /nfs/dbraw/zinc/22/07/22/1066220722.db2.gz GNAJQZZUCZSSSR-LEWJYISDSA-N 0 0 456.631 4.540 20 0 JJADRN COc1ccc([C@@H](C)CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361023818 1066220812 /nfs/dbraw/zinc/22/08/12/1066220812.db2.gz QDRRRVJCZOFCPR-SSOJOUAXSA-N 0 0 455.551 4.637 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361023907 1066220828 /nfs/dbraw/zinc/22/08/28/1066220828.db2.gz FRSKYHUMMLFCMX-VXKWHMMOSA-N 0 0 467.658 4.747 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361024069 1066221216 /nfs/dbraw/zinc/22/12/16/1066221216.db2.gz HBOBSKQAFQEMSC-QRWLVFNGSA-N 0 0 495.571 4.752 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361024075 1066221419 /nfs/dbraw/zinc/22/14/19/1066221419.db2.gz HFCJHGVPWQLYLQ-FQEVSTJZSA-N 0 0 455.647 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361024464 1066221884 /nfs/dbraw/zinc/22/18/84/1066221884.db2.gz MICXDBUHFWUBLX-RXFWQSSRSA-N 0 0 452.599 4.847 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546056086 1066222141 /nfs/dbraw/zinc/22/21/41/1066222141.db2.gz AMLXYMWGFIBQAQ-REWPJTCUSA-N 0 0 496.574 4.715 20 0 JJADRN CN1CCC[C@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776286 1066222013 /nfs/dbraw/zinc/22/20/13/1066222013.db2.gz YPQZGSYTYQRREO-FQEVSTJZSA-N 0 0 457.456 4.700 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1)OC ZINC001545951791 1066222073 /nfs/dbraw/zinc/22/20/73/1066222073.db2.gz CLMMGWLXCSRQPN-CMKODMSKSA-N 0 0 451.011 4.729 20 0 JJADRN CC(C)(C)Sc1ccc(NC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)cc1 ZINC001442794361 1066222622 /nfs/dbraw/zinc/22/26/22/1066222622.db2.gz FHVLDSWWBBARJU-UHFFFAOYSA-N 0 0 458.971 4.966 20 0 JJADRN CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)c1 ZINC001453937233 1066222531 /nfs/dbraw/zinc/22/25/31/1066222531.db2.gz ZYHAQIGQIQXTOF-RUZDIDTESA-N 0 0 454.567 4.515 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cs1 ZINC001361024618 1066222555 /nfs/dbraw/zinc/22/25/55/1066222555.db2.gz NWZBZMXWPGDKME-OXQOHEQNSA-N 0 0 495.571 4.638 20 0 JJADRN O=C(c1c(F)cccc1I)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001442796302 1066223233 /nfs/dbraw/zinc/22/32/33/1066223233.db2.gz GSWXJDUQQYFPJX-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(Nc2cccnc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442796287 1066223387 /nfs/dbraw/zinc/22/33/87/1066223387.db2.gz GQYOKMIBPIRYFQ-VWLOTQADSA-N 0 0 457.578 4.963 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361025071 1066223253 /nfs/dbraw/zinc/22/32/53/1066223253.db2.gz VSGNCPXEQFXOIK-DEOSSOPVSA-N 0 0 496.574 4.837 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C1(CC)CC ZINC001361024917 1066223408 /nfs/dbraw/zinc/22/34/08/1066223408.db2.gz ZZACAINJRVAQNW-UXHICEINSA-N 0 0 454.596 4.719 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2ccc(C)cc2)O1 ZINC001546056217 1066223453 /nfs/dbraw/zinc/22/34/53/1066223453.db2.gz CIZZELGGUAHGIH-CYFREDJKSA-N 0 0 453.612 4.694 20 0 JJADRN CC1(C)C[C@]1(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC001453941339 1066224078 /nfs/dbraw/zinc/22/40/78/1066224078.db2.gz GHGGPMJECGDGPU-VWLOTQADSA-N 0 0 452.551 4.724 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361025113 1066224064 /nfs/dbraw/zinc/22/40/64/1066224064.db2.gz WXFRODZKWAZEJN-ACRUOGEOSA-N 0 0 471.646 4.822 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3CCc4ccc(F)c(Br)c4C3)C2=O)cc1 ZINC001453942131 1066224107 /nfs/dbraw/zinc/22/41/07/1066224107.db2.gz IVMHSOFDWGLJMO-GOSISDBHSA-N 0 0 459.359 4.649 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 ZINC001361025656 1066224634 /nfs/dbraw/zinc/22/46/34/1066224634.db2.gz KTOBOAMMEPPXLZ-MGPUTAFESA-N 0 0 450.398 4.774 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 ZINC001361025657 1066224694 /nfs/dbraw/zinc/22/46/94/1066224694.db2.gz KTOBOAMMEPPXLZ-QRWLVFNGSA-N 0 0 450.398 4.774 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1F ZINC001442805942 1066224865 /nfs/dbraw/zinc/22/48/65/1066224865.db2.gz BVDPTMMLSXBXKN-HNNXBMFYSA-N 0 0 458.877 4.727 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1cncc(N2CCCC2)n1 ZINC001361026004 1066225308 /nfs/dbraw/zinc/22/53/08/1066225308.db2.gz VSQNCNLWRDPRIU-UHFFFAOYSA-N 0 0 453.340 4.671 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(OC(F)F)c(Br)c1 ZINC001442808496 1066225349 /nfs/dbraw/zinc/22/53/49/1066225349.db2.gz IBUOKJOJTGLQEO-UHFFFAOYSA-N 0 0 454.296 4.542 20 0 JJADRN CC(C)(O)CN1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 ZINC001442808378 1066225615 /nfs/dbraw/zinc/22/56/15/1066225615.db2.gz ZIACVJYGHVHSRC-UHFFFAOYSA-N 0 0 459.011 4.907 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361026436 1066225979 /nfs/dbraw/zinc/22/59/79/1066225979.db2.gz BVJQSLSZTLJICF-CUBQBAPOSA-N 0 0 484.685 4.914 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361026441 1066226224 /nfs/dbraw/zinc/22/62/24/1066226224.db2.gz BVYKICZVULYUEN-UXHICEINSA-N 0 0 469.630 4.576 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001442810395 1066226261 /nfs/dbraw/zinc/22/62/61/1066226261.db2.gz LBOHIKMICCDUIL-UHFFFAOYSA-N 0 0 456.287 4.959 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC001442812279 1066226506 /nfs/dbraw/zinc/22/65/06/1066226506.db2.gz KUWGABXCXZNKQE-YLJYHZDGSA-N 0 0 456.539 4.503 20 0 JJADRN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1C(C)C ZINC001361026525 1066226634 /nfs/dbraw/zinc/22/66/34/1066226634.db2.gz HJPHDFHWFYTWTD-SANMLTNESA-N 0 0 451.588 4.807 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001361026483 1066226695 /nfs/dbraw/zinc/22/66/95/1066226695.db2.gz GGZOHSMCOOCHOF-NRFANRHFSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361026443 1066226739 /nfs/dbraw/zinc/22/67/39/1066226739.db2.gz BVYKICZVULYUEN-WOJBJXKFSA-N 0 0 469.630 4.576 20 0 JJADRN Cc1c(C(=O)N2CCC(Oc3cccc(F)c3)CC2)cnn1-c1cccc(Br)c1 ZINC001453966504 1066226776 /nfs/dbraw/zinc/22/67/76/1066226776.db2.gz BHPSLWRLBZPKED-UHFFFAOYSA-N 0 0 458.331 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN2CCCCC2=O)c1 ZINC001361026679 1066226769 /nfs/dbraw/zinc/22/67/69/1066226769.db2.gz FEMYHWQJMJVLQY-QFIPXVFZSA-N 0 0 467.658 4.749 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(OCC(C)C)c1 ZINC001442817666 1066227149 /nfs/dbraw/zinc/22/71/49/1066227149.db2.gz BDOIGPKAZXTOBG-GOSISDBHSA-N 0 0 457.546 4.543 20 0 JJADRN CC1(C)CCC(O)(CNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CC1 ZINC001453967773 1066227102 /nfs/dbraw/zinc/22/71/02/1066227102.db2.gz KEQDAACGRLJXRQ-UHFFFAOYSA-N 0 0 451.607 4.761 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1OC ZINC001361026905 1066227374 /nfs/dbraw/zinc/22/73/74/1066227374.db2.gz LUACEFLFCPUYMG-HXUWFJFHSA-N 0 0 452.595 4.815 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001453972662 1066227488 /nfs/dbraw/zinc/22/74/88/1066227488.db2.gz NPSIDCDYYBZJSZ-UHFFFAOYSA-N 0 0 451.489 4.692 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(Br)s1 ZINC001442824994 1066227756 /nfs/dbraw/zinc/22/77/56/1066227756.db2.gz JVGUWUBIXMGBIX-CYBMUJFWSA-N 0 0 454.365 4.632 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545952213 1066227774 /nfs/dbraw/zinc/22/77/74/1066227774.db2.gz ITNONLOIEDNPAF-LEWJYISDSA-N 0 0 470.662 4.812 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(F)(F)CC2)c(C)o1 ZINC001361027056 1066228297 /nfs/dbraw/zinc/22/82/97/1066228297.db2.gz KZIBGACBYTYXAI-XMMPIXPASA-N 0 0 474.552 4.827 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CO)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361027047 1066228384 /nfs/dbraw/zinc/22/83/84/1066228384.db2.gz KQNTYHRUFAARGP-WOJBJXKFSA-N 0 0 466.548 4.976 20 0 JJADRN CC[C@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545952216 1066228324 /nfs/dbraw/zinc/22/83/24/1066228324.db2.gz ITNONLOIEDNPAF-SFTDATJTSA-N 0 0 470.662 4.812 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)/C=C/c2ccccc2O[C@@H](C)CC)c(F)cc1F ZINC001442830972 1066228563 /nfs/dbraw/zinc/22/85/63/1066228563.db2.gz ALWPUZFJFJSVOT-NKSUMMKUSA-N 0 0 452.523 4.946 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545952242 1066228620 /nfs/dbraw/zinc/22/86/20/1066228620.db2.gz JDFNZYBNLIYCRI-CEMLEFRQSA-N 0 0 470.593 4.637 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccc3)nn2C)cc1OC ZINC001361027319 1066229031 /nfs/dbraw/zinc/22/90/31/1066229031.db2.gz PSYZIVWFEOQMKW-HSZRJFAPSA-N 0 0 455.558 4.861 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc1C ZINC001442835891 1066229122 /nfs/dbraw/zinc/22/91/22/1066229122.db2.gz DOSOYBKIAYFAIB-FQEVSTJZSA-N 0 0 452.576 4.642 20 0 JJADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC001442832758 1066229180 /nfs/dbraw/zinc/22/91/80/1066229180.db2.gz KDZRVCIJWQIING-UHFFFAOYSA-N 0 0 457.534 4.912 20 0 JJADRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001442834867 1066229226 /nfs/dbraw/zinc/22/92/26/1066229226.db2.gz DOJIHCKFHUVDGQ-UHFFFAOYSA-N 0 0 458.415 4.717 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc(C(F)(F)F)c2F)c2ccccc2)c1 ZINC001361027454 1066229602 /nfs/dbraw/zinc/22/96/02/1066229602.db2.gz RTRYYRSCPNJOEG-HXUWFJFHSA-N 0 0 451.441 4.767 20 0 JJADRN Cc1cc(NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)n(-c2ccc(C)cc2)n1 ZINC001442838557 1066230030 /nfs/dbraw/zinc/23/00/30/1066230030.db2.gz LPYOJMDUTPZFRS-IBGZPJMESA-N 0 0 451.527 4.801 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCCC2CCCC2)c1 ZINC001361027675 1066230531 /nfs/dbraw/zinc/23/05/31/1066230531.db2.gz QXYJIALEGOSNIO-UHFFFAOYSA-N 0 0 453.631 4.536 20 0 JJADRN COc1c(F)cc(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c(N)c1F ZINC001442846685 1066230741 /nfs/dbraw/zinc/23/07/41/1066230741.db2.gz NKFPDUVXPUCXJZ-UHFFFAOYSA-N 0 0 453.327 4.994 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001442844941 1066230749 /nfs/dbraw/zinc/23/07/49/1066230749.db2.gz XEXVXYJSPCHFLZ-BUHFOSPRSA-N 0 0 457.534 4.584 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccc2OC)O1 ZINC001546057188 1066231238 /nfs/dbraw/zinc/23/12/38/1066231238.db2.gz OOOMXIUZDVANAW-OFVILXPXSA-N 0 0 470.017 4.910 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cccc(COc2cccc(C=O)c2)c1 ZINC001442854626 1066231269 /nfs/dbraw/zinc/23/12/69/1066231269.db2.gz GSDFKIPGYRQJEY-UHFFFAOYSA-N 0 0 450.922 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC001442854606 1066231689 /nfs/dbraw/zinc/23/16/89/1066231689.db2.gz GGBHJJSQAGWZRD-QHCPKHFHSA-N 0 0 458.514 4.928 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)O1 ZINC001546057307 1066231936 /nfs/dbraw/zinc/23/19/36/1066231936.db2.gz PWPZEYFVGDQNJU-MIZPHKNDSA-N 0 0 466.548 4.569 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCOC(C)(C)C)O1 ZINC001546057331 1066231954 /nfs/dbraw/zinc/23/19/54/1066231954.db2.gz QDZOQMJPSAVBKB-HFZDXXHNSA-N 0 0 453.631 4.880 20 0 JJADRN CCSc1cc(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)ccn1 ZINC001361028053 1066231896 /nfs/dbraw/zinc/23/18/96/1066231896.db2.gz XWUBLGNQSHHULE-HSZRJFAPSA-N 0 0 454.617 4.679 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001442856637 1066232045 /nfs/dbraw/zinc/23/20/45/1066232045.db2.gz NKRHGWVPYRZFOS-UHFFFAOYSA-N 0 0 453.739 4.727 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545952405 1066232134 /nfs/dbraw/zinc/23/21/34/1066232134.db2.gz KYEJMFWQGYJFOH-HKUYNNGSSA-N 0 0 494.036 4.554 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2NC(=O)c2ccc(CNC(N)=O)cc2)cc1 ZINC001454006013 1066232453 /nfs/dbraw/zinc/23/24/53/1066232453.db2.gz IPFCXGCJKJSFCW-UHFFFAOYSA-N 0 0 454.324 4.970 20 0 JJADRN CCCN(C(=O)c1cc(C)n(C2CCOCC2)c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001442862336 1066232875 /nfs/dbraw/zinc/23/28/75/1066232875.db2.gz GHSUXHNEVXWJBQ-UHFFFAOYSA-N 0 0 451.611 4.613 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361028470 1066233296 /nfs/dbraw/zinc/23/32/96/1066233296.db2.gz JSFHPSINCJHIER-JOCHJYFZSA-N 0 0 450.631 4.713 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361028672 1066233837 /nfs/dbraw/zinc/23/38/37/1066233837.db2.gz ODONJLMPPCNUMI-NLFFAJNJSA-N 0 0 454.640 4.925 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CCCC(F)(F)F)c1 ZINC001361028573 1066234193 /nfs/dbraw/zinc/23/41/93/1066234193.db2.gz LLYYRVVIQYMBTO-AUSIDOKSSA-N 0 0 482.547 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454009447 1066234218 /nfs/dbraw/zinc/23/42/18/1066234218.db2.gz ALLOJVOSMARUCX-HTAPYJJXSA-N 0 0 458.505 4.743 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001454010162 1066234235 /nfs/dbraw/zinc/23/42/35/1066234235.db2.gz XINNKZLCEZXWAU-QHCPKHFHSA-N 0 0 456.558 4.908 20 0 JJADRN C[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442867435 1066234450 /nfs/dbraw/zinc/23/44/50/1066234450.db2.gz ROXFAACRSPZOGH-RDJZCZTQSA-N 0 0 453.505 4.969 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361028818 1066234628 /nfs/dbraw/zinc/23/46/28/1066234628.db2.gz RZFWHGKDGVDLIU-PMACEKPBSA-N 0 0 489.686 4.671 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361028747 1066234820 /nfs/dbraw/zinc/23/48/20/1066234820.db2.gz QENYYEMKEVYRDM-CALCHBBNSA-N 0 0 474.581 4.580 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442872402 1066235235 /nfs/dbraw/zinc/23/52/35/1066235235.db2.gz FHMRXBCVPJSLAF-LOSJGSFVSA-N 0 0 450.579 4.696 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H]4CCCCCC[C@H]43)n2CCC(=O)NC(C)(C)C)c1 ZINC001361028975 1066235466 /nfs/dbraw/zinc/23/54/66/1066235466.db2.gz WLLXXZGQUDIZNT-FYYLOGMGSA-N 0 0 467.658 4.938 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC001442880219 1066236538 /nfs/dbraw/zinc/23/65/38/1066236538.db2.gz QAEGSICGJILDBU-UHFFFAOYSA-N 0 0 451.958 4.739 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546056718 1066236586 /nfs/dbraw/zinc/23/65/86/1066236586.db2.gz JEIWUISCCPFMBU-NZQKXSOJSA-N 0 0 482.547 4.992 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546056719 1066236666 /nfs/dbraw/zinc/23/66/66/1066236666.db2.gz JEIWUISCCPFMBU-OFNKIYASSA-N 0 0 482.547 4.992 20 0 JJADRN NC(=O)N[C@H](CC(=O)NCC1CCc2ccccc2CC1)c1cccc(Oc2ccccc2)c1 ZINC001454021717 1066236698 /nfs/dbraw/zinc/23/66/98/1066236698.db2.gz ZRENQFWLDJAJPZ-AREMUKBSSA-N 0 0 457.574 4.890 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2[C@@H]2C[C@H]2C(C)C)c1 ZINC001361029129 1066236714 /nfs/dbraw/zinc/23/67/14/1066236714.db2.gz ZLRZRHDLFNGEGI-FFGOWVMKSA-N 0 0 452.521 4.847 20 0 JJADRN O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2ccc(N3CCCCCC3)cc2)c1 ZINC001361029546 1066236795 /nfs/dbraw/zinc/23/67/95/1066236795.db2.gz MPAKXRVVDQGFEL-UHFFFAOYSA-N 0 0 457.578 4.714 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC001361029573 1066236814 /nfs/dbraw/zinc/23/68/14/1066236814.db2.gz NSLISYRVOPRPJB-FQEVSTJZSA-N 0 0 452.595 4.667 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Br ZINC001361029608 1066236852 /nfs/dbraw/zinc/23/68/52/1066236852.db2.gz ORHXRGDVIJAPDH-UHFFFAOYSA-N 0 0 453.336 4.558 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Cl)c1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001361030041 1066237359 /nfs/dbraw/zinc/23/73/59/1066237359.db2.gz GEPPOSFJRKECEB-UHFFFAOYSA-N 0 0 452.873 4.784 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)O1 ZINC001546056817 1066237300 /nfs/dbraw/zinc/23/73/00/1066237300.db2.gz KDJZENDOMXUPQL-HFZDXXHNSA-N 0 0 475.678 4.662 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)O1 ZINC001546056775 1066237594 /nfs/dbraw/zinc/23/75/94/1066237594.db2.gz JQVNXPMKKYDOFT-WQHXYCOISA-N 0 0 497.684 4.559 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2Cl)O1 ZINC001546056843 1066238194 /nfs/dbraw/zinc/23/81/94/1066238194.db2.gz KNLBAAMWNYJDIY-MHECFPHRSA-N 0 0 488.057 4.907 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)O1 ZINC001546056856 1066238342 /nfs/dbraw/zinc/23/83/42/1066238342.db2.gz KRHXVVLTIYNWCQ-YIXXDRMTSA-N 0 0 480.657 4.872 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C1 ZINC001361030855 1066238790 /nfs/dbraw/zinc/23/87/90/1066238790.db2.gz ZFMSNPXYJATVFY-WMTXJRDZSA-N 0 0 464.606 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)C(C)(C)C ZINC001442910739 1066239523 /nfs/dbraw/zinc/23/95/23/1066239523.db2.gz QQSDHORGDKOLLL-QGZVFWFLSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361030972 1066239425 /nfs/dbraw/zinc/23/94/25/1066239425.db2.gz CFUMODBGEXIMRA-LJQANCHMSA-N 0 0 488.558 4.762 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(Oc3cccnn3)cc2)cc1OC ZINC001454044036 1066239554 /nfs/dbraw/zinc/23/95/54/1066239554.db2.gz UNORBCQOWVBTFT-UHFFFAOYSA-N 0 0 450.495 4.523 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)NCC/C=C/c3ccc(Br)cc3)n[nH]2)cc1 ZINC001454042785 1066239665 /nfs/dbraw/zinc/23/96/65/1066239665.db2.gz CQOFJPQYRLSGBA-DUXPYHPUSA-N 0 0 457.397 4.854 20 0 JJADRN CCC[C@@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1)OCC ZINC001454041049 1066239692 /nfs/dbraw/zinc/23/96/92/1066239692.db2.gz FVNXLCXQWMHINA-LAUBAEHRSA-N 0 0 457.409 4.510 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(OCCC(C)C)CC2)on1 ZINC001361031160 1066240117 /nfs/dbraw/zinc/24/01/17/1066240117.db2.gz JKKZLOQJEMRYRJ-UHFFFAOYSA-N 0 0 467.614 4.850 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442915611 1066240041 /nfs/dbraw/zinc/24/00/41/1066240041.db2.gz ASDMSLOMCGDUNU-OAHLLOKOSA-N 0 0 456.474 4.836 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546057519 1066241027 /nfs/dbraw/zinc/24/10/27/1066241027.db2.gz TVAIIVIZCLYQSN-FDJWOJMMSA-N 0 0 470.658 4.889 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)s2)c1 ZINC001442926698 1066241595 /nfs/dbraw/zinc/24/15/95/1066241595.db2.gz UZIWGWHJVZKZJA-UHFFFAOYSA-N 0 0 452.923 4.816 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)CCC1 ZINC001454063846 1066241773 /nfs/dbraw/zinc/24/17/73/1066241773.db2.gz VWJTXHGKUQXAPX-UHFFFAOYSA-N 0 0 451.592 4.868 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCOCC(F)F)c1 ZINC001361031604 1066242278 /nfs/dbraw/zinc/24/22/78/1066242278.db2.gz WLUKRDHLNKFGFZ-UHFFFAOYSA-N 0 0 466.573 4.540 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(OCc3ccccc3)ccn2)CC1)c1ccccc1 ZINC001442927119 1066242289 /nfs/dbraw/zinc/24/22/89/1066242289.db2.gz WVFPNVPKNPQPQS-RUZDIDTESA-N 0 0 457.574 4.575 20 0 JJADRN Cc1cc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)ccc1N1CCSCC1 ZINC001442927477 1066242464 /nfs/dbraw/zinc/24/24/64/1066242464.db2.gz ACKLZQLWVYIETG-RUZDIDTESA-N 0 0 455.624 4.927 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2Cc2nccn2C(F)F)c1 ZINC001361031703 1066243127 /nfs/dbraw/zinc/24/31/27/1066243127.db2.gz ZKKSYKKSNSTWHI-UHFFFAOYSA-N 0 0 474.556 4.508 20 0 JJADRN Cc1ccccc1C1(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 ZINC001442931078 1066243044 /nfs/dbraw/zinc/24/30/44/1066243044.db2.gz LKLPHMVXDOUPRU-UHFFFAOYSA-N 0 0 456.514 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC001442934092 1066243318 /nfs/dbraw/zinc/24/33/18/1066243318.db2.gz AEWYARWGSBKYLM-AWEZNQCLSA-N 0 0 454.449 4.731 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCCOC[C@@H]2CCOC2)c1 ZINC001361031940 1066243664 /nfs/dbraw/zinc/24/36/64/1066243664.db2.gz GEPDWGKFJJQLSY-QHCPKHFHSA-N 0 0 456.631 4.688 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCC2CCCC2)c1 ZINC001361031941 1066243731 /nfs/dbraw/zinc/24/37/31/1066243731.db2.gz GGIOBWIPNQBHDU-JOCHJYFZSA-N 0 0 453.631 4.536 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361031871 1066243824 /nfs/dbraw/zinc/24/38/24/1066243824.db2.gz DQBJDBUDUPGHNX-UHFFFAOYSA-N 0 0 474.671 4.602 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC(C)(C)C1 ZINC001361032059 1066244923 /nfs/dbraw/zinc/24/49/23/1066244923.db2.gz JUMAPTZNNOAQRG-UHFFFAOYSA-N 0 0 479.625 4.822 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC001442955314 1066245200 /nfs/dbraw/zinc/24/52/00/1066245200.db2.gz WIMFKOCOQWRANB-UHFFFAOYSA-N 0 0 456.533 4.645 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cccc(COc4cccc(F)c4)c3)C2)s1 ZINC001454095143 1066245524 /nfs/dbraw/zinc/24/55/24/1066245524.db2.gz WKMWLFROAXVDKG-SFHVURJKSA-N 0 0 454.523 4.668 20 0 JJADRN COc1cc(CCCNC(=O)Cc2sc(SC3CCCC3)nc2C)cc(OC)c1O ZINC001454103974 1066245610 /nfs/dbraw/zinc/24/56/10/1066245610.db2.gz OCQMHZLRUUVHKK-UHFFFAOYSA-N 0 0 450.626 4.501 20 0 JJADRN Nc1cc(I)ccc1C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001442955701 1066245733 /nfs/dbraw/zinc/24/57/33/1066245733.db2.gz YBDNIOPGUVZYRV-UHFFFAOYSA-N 0 0 450.320 4.515 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001442959368 1066246443 /nfs/dbraw/zinc/24/64/43/1066246443.db2.gz NLUZREBMGGJYNE-AUSIDOKSSA-N 0 0 459.631 4.501 20 0 JJADRN CCCCCC[C@@H](O)CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001442963369 1066246884 /nfs/dbraw/zinc/24/68/84/1066246884.db2.gz SQONJOOQCIMOIN-HXUWFJFHSA-N 0 0 453.421 4.738 20 0 JJADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccc(-c4cccc(C)c4)c3)cc(C(C)C)nc21 ZINC001442969037 1066247508 /nfs/dbraw/zinc/24/75/08/1066247508.db2.gz WCTIVDJNBNSJPC-UHFFFAOYSA-N 0 0 456.546 4.546 20 0 JJADRN CC(C)Oc1ccc(CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 ZINC001442968280 1066247672 /nfs/dbraw/zinc/24/76/72/1066247672.db2.gz UCIQFYBHRJIIKO-UHFFFAOYSA-N 0 0 454.436 4.659 20 0 JJADRN O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001546058110 1066247813 /nfs/dbraw/zinc/24/78/13/1066247813.db2.gz CLMOBEPGHUFFFE-CABCVRRESA-N 0 0 453.753 4.680 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2Cc2ccsc2)c1 ZINC001361033003 1066248237 /nfs/dbraw/zinc/24/82/37/1066248237.db2.gz WQGQLNOVOUQVNA-NRFANRHFSA-N 0 0 481.666 4.715 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)no1 ZINC001361033038 1066248324 /nfs/dbraw/zinc/24/83/24/1066248324.db2.gz XCADHMLIYHMMAQ-OAQYLSRUSA-N 0 0 453.587 4.603 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)Nc2csc(-c3ccc(Br)cc3)n2)cc1 ZINC001454128775 1066248692 /nfs/dbraw/zinc/24/86/92/1066248692.db2.gz CPRFZMBZKMNZFV-SFHVURJKSA-N 0 0 458.381 4.794 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCS2)c1 ZINC001361033221 1066249435 /nfs/dbraw/zinc/24/94/35/1066249435.db2.gz ZXCBXCZMJVSCQG-IRLDBZIGSA-N 0 0 485.698 4.501 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033364 1066249532 /nfs/dbraw/zinc/24/95/32/1066249532.db2.gz QKWMZLPLBSVQES-IQGLISFBSA-N 0 0 451.950 4.965 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC001442979283 1066249783 /nfs/dbraw/zinc/24/97/83/1066249783.db2.gz YYFLRKQJVVGEMV-UHFFFAOYSA-N 0 0 457.755 4.816 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)s1 ZINC001442979384 1066249898 /nfs/dbraw/zinc/24/98/98/1066249898.db2.gz ZBXSHVHZUJHGGG-UHFFFAOYSA-N 0 0 450.992 4.538 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001546058209 1066249902 /nfs/dbraw/zinc/24/99/02/1066249902.db2.gz GTOUMDXCRWLXRJ-IAERKFLBSA-N 0 0 455.423 4.990 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001546058210 1066249913 /nfs/dbraw/zinc/24/99/13/1066249913.db2.gz GTOUMDXCRWLXRJ-SSUIOBEFSA-N 0 0 455.423 4.990 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2cnc(CC(C)C)s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361033601 1066250137 /nfs/dbraw/zinc/25/01/37/1066250137.db2.gz YOSGZOCEHUKGRA-QHCPKHFHSA-N 0 0 456.633 4.827 20 0 JJADRN CCOc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033438 1066250148 /nfs/dbraw/zinc/25/01/48/1066250148.db2.gz TUFAVDGYYOFWAA-VWLOTQADSA-N 0 0 453.922 4.795 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001361033481 1066250349 /nfs/dbraw/zinc/25/03/49/1066250349.db2.gz UVJLSQPDIOEMFR-QHCPKHFHSA-N 0 0 451.906 4.726 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361034774 1066250818 /nfs/dbraw/zinc/25/08/18/1066250818.db2.gz CSYODKUQBQILNO-DHIUTWEWSA-N 0 0 467.658 4.605 20 0 JJADRN CCCc1ccc([C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC001442999747 1066251186 /nfs/dbraw/zinc/25/11/86/1066251186.db2.gz RAFRRFUUWSAFHS-HXUWFJFHSA-N 0 0 457.423 4.738 20 0 JJADRN COc1cccc(C(C)(C)CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 ZINC001546058405 1066251055 /nfs/dbraw/zinc/25/10/55/1066251055.db2.gz MNWANCHMRATHPH-OAHLLOKOSA-N 0 0 453.608 4.557 20 0 JJADRN O=C(Nc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2O)cc1)c1ccncc1 ZINC001443000890 1066251233 /nfs/dbraw/zinc/25/12/33/1066251233.db2.gz ULRYSHCMYBESPM-UHFFFAOYSA-N 0 0 453.498 4.549 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1Cl ZINC001454178350 1066251305 /nfs/dbraw/zinc/25/13/05/1066251305.db2.gz AMDWFTAERFGKQQ-UHFFFAOYSA-N 0 0 452.917 4.914 20 0 JJADRN O=C(CCN1C(=O)COc2cc(Br)ccc21)Nc1cccc(NC2CCCC2)c1 ZINC001454178460 1066251358 /nfs/dbraw/zinc/25/13/58/1066251358.db2.gz AYFIWQUELGLGKA-UHFFFAOYSA-N 0 0 458.356 4.558 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001443003192 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NPTHHQAWXUPILU-AKFKNWHVSA-N 0 0 456.631 4.684 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC001443010686 1066252695 /nfs/dbraw/zinc/25/26/95/1066252695.db2.gz HIVXQPDWEMQLML-VWLOTQADSA-N 0 0 457.574 4.700 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001443010369 1066252710 /nfs/dbraw/zinc/25/27/10/1066252710.db2.gz VOOIVFYGLIJSER-UHFFFAOYSA-N 0 0 457.408 4.744 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)s1 ZINC001361035487 1066253660 /nfs/dbraw/zinc/25/36/60/1066253660.db2.gz YHOYGNNOJDAJBS-UHFFFAOYSA-N 0 0 496.681 4.522 20 0 JJADRN CC(C)C[C@@H]1CCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001443020695 1066254767 /nfs/dbraw/zinc/25/47/67/1066254767.db2.gz UDMDAMFQXMHPLF-IBGZPJMESA-N 0 0 454.596 4.628 20 0 JJADRN O=C(COc1ccccc1Br)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC001454210536 1066254869 /nfs/dbraw/zinc/25/48/69/1066254869.db2.gz ZLWPLCYICFWDIL-UHFFFAOYSA-N 0 0 451.773 4.845 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(c2nc(C)no2)CC1)OC ZINC001545953190 1066254843 /nfs/dbraw/zinc/25/48/43/1066254843.db2.gz UZZDCWYAACBRKY-FPOVZHCZSA-N 0 0 482.629 4.709 20 0 JJADRN Cc1sc(CC(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)nc1C(C)C ZINC001443023560 1066255427 /nfs/dbraw/zinc/25/54/27/1066255427.db2.gz OVUJBDGZBGDEGI-UHFFFAOYSA-N 0 0 457.621 4.577 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1ccccc1-c1ccncc1 ZINC001443024247 1066255642 /nfs/dbraw/zinc/25/56/42/1066255642.db2.gz TZGRAHXYJMHPCF-UHFFFAOYSA-N 0 0 457.555 4.822 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1coc(C2CCCCC2)n1 ZINC001443023086 1066255685 /nfs/dbraw/zinc/25/56/85/1066255685.db2.gz OHPQCFSWQUPKQB-UHFFFAOYSA-N 0 0 453.564 4.795 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361037752 1066256008 /nfs/dbraw/zinc/25/60/08/1066256008.db2.gz AJMGAEXBNWAWJI-WRALFONMSA-N 0 0 470.658 4.929 20 0 JJADRN COc1cccc(Nc2ccccc2C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1 ZINC001443030700 1066256737 /nfs/dbraw/zinc/25/67/37/1066256737.db2.gz FRGUPAWYVLYFAV-UHFFFAOYSA-N 0 0 454.486 4.977 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545953569 1066256754 /nfs/dbraw/zinc/25/67/54/1066256754.db2.gz ZUEHNVAAMKZNRV-VAMGGRTRSA-N 0 0 488.652 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CCCC(C)(C)C)c1 ZINC001361038270 1066256984 /nfs/dbraw/zinc/25/69/84/1066256984.db2.gz GYVQTORMEVSDEJ-HSZRJFAPSA-N 0 0 466.630 4.612 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361038489 1066257140 /nfs/dbraw/zinc/25/71/40/1066257140.db2.gz JQUUYWZDERLKIK-LGVFNWMJSA-N 0 0 456.631 4.539 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H]2CCSC2)c1 ZINC001361038284 1066257156 /nfs/dbraw/zinc/25/71/56/1066257156.db2.gz HDKFCPPGWIENHX-CPJSRVTESA-N 0 0 458.672 4.868 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCO[C@H](c4cccc(Br)c4)C3)sc21 ZINC001443038309 1066257374 /nfs/dbraw/zinc/25/73/74/1066257374.db2.gz XFSUIGODXBRCKC-ZDUSSCGKSA-N 0 0 456.312 4.549 20 0 JJADRN O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001443037801 1066257453 /nfs/dbraw/zinc/25/74/53/1066257453.db2.gz WALFVGTWVRJBOQ-MRXNPFEDSA-N 0 0 450.201 4.960 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001443038320 1066257497 /nfs/dbraw/zinc/25/74/97/1066257497.db2.gz XJXKYEVSJKMCDU-SFHVURJKSA-N 0 0 451.748 4.500 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC001443043484 1066257555 /nfs/dbraw/zinc/25/75/55/1066257555.db2.gz LZXNBVLPMORXBX-MSOLQXFVSA-N 0 0 455.986 4.683 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N(C)Cc2ccon2)O1 ZINC001546058940 1066257574 /nfs/dbraw/zinc/25/75/74/1066257574.db2.gz CGYIRVLZOJEJLK-WZONZLPQSA-N 0 0 457.600 4.551 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001361038555 1066257641 /nfs/dbraw/zinc/25/76/41/1066257641.db2.gz ZDJSZXDZFUNDAN-KRWDZBQOSA-N 0 0 455.274 4.503 20 0 JJADRN O=C(CCC(=O)Nc1cccc(Br)c1F)Nc1nnc(C2CCCCC2)s1 ZINC001454247461 1066257728 /nfs/dbraw/zinc/25/77/28/1066257728.db2.gz MHKXICBDYIWQES-UHFFFAOYSA-N 0 0 455.353 4.845 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](C)c2nccs2)c1 ZINC001361038672 1066257863 /nfs/dbraw/zinc/25/78/63/1066257863.db2.gz MINWUEQJJRMCKX-MOPGFXCFSA-N 0 0 455.628 4.738 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c2nccn2C)c1 ZINC001454251060 1066258159 /nfs/dbraw/zinc/25/81/59/1066258159.db2.gz WYRKIMUQASXDJM-JOCHJYFZSA-N 0 0 459.550 4.587 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)C3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361038789 1066258452 /nfs/dbraw/zinc/25/84/52/1066258452.db2.gz PCSPJQBEBBCNQA-UHFFFAOYSA-N 0 0 495.571 4.807 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361038883 1066258641 /nfs/dbraw/zinc/25/86/41/1066258641.db2.gz RMLRRMUZNZAEJH-QFIPXVFZSA-N 0 0 499.681 4.732 20 0 JJADRN Cc1ccc(OCC(=O)N2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)cc1 ZINC001443050283 1066259170 /nfs/dbraw/zinc/25/91/70/1066259170.db2.gz YVLFKMWPZGCMRS-UHFFFAOYSA-N 0 0 454.998 4.501 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N(CCO)Cc3ccc(Br)s3)nnc2C(C)(C)C)O1 ZINC001546059077 1066258940 /nfs/dbraw/zinc/25/89/40/1066258940.db2.gz FDFQCFSSJSKZSV-BTYIYWSLSA-N 0 0 485.492 4.746 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2=CCCCC2)c1 ZINC001361039105 1066259137 /nfs/dbraw/zinc/25/91/37/1066259137.db2.gz XTMOVCBBWCOMII-HXUWFJFHSA-N 0 0 450.505 4.742 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCC(Oc4c(OC)cccc4OC)CC3)nnc2C(C)(C)C)O1 ZINC001546059052 1066259344 /nfs/dbraw/zinc/25/93/44/1066259344.db2.gz DRGFWIUEOPKLEM-NFQMXDRXSA-N 0 0 486.657 4.988 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361039009 1066259253 /nfs/dbraw/zinc/25/92/53/1066259253.db2.gz VQFQVTMRKLTGPG-DEOSSOPVSA-N 0 0 493.652 4.956 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1C ZINC001443054610 1066259637 /nfs/dbraw/zinc/25/96/37/1066259637.db2.gz BNTAXDNTYMQBSZ-OAQYLSRUSA-N 0 0 459.974 4.974 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCc2cccc(C)n2)c1 ZINC001361039151 1066259646 /nfs/dbraw/zinc/25/96/46/1066259646.db2.gz YPLJUMXTFDHHMD-OAQYLSRUSA-N 0 0 451.640 4.752 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC001443055074 1066259868 /nfs/dbraw/zinc/25/98/68/1066259868.db2.gz DRSWBNIUMGLYEO-HOTGVXAUSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1ccc2nc(CSCC(=O)Nc3cc(Cl)ccc3C(=O)N3CCCCC3)cn2c1 ZINC001443056195 1066260626 /nfs/dbraw/zinc/26/06/26/1066260626.db2.gz RPRUDIORPZHHFN-UHFFFAOYSA-N 0 0 456.999 4.794 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CCSCC(F)(F)F)c1 ZINC001361039282 1066260424 /nfs/dbraw/zinc/26/04/24/1066260424.db2.gz CJMYWAGLIGRSGP-MRXNPFEDSA-N 0 0 460.591 4.711 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CCSCC(F)(F)F)c1 ZINC001361039281 1066260497 /nfs/dbraw/zinc/26/04/97/1066260497.db2.gz CJMYWAGLIGRSGP-INIZCTEOSA-N 0 0 460.591 4.711 20 0 JJADRN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001454267605 1066260624 /nfs/dbraw/zinc/26/06/24/1066260624.db2.gz NYBRJBAWNSZXHH-PKTZIBPZSA-N 0 0 456.369 4.954 20 0 JJADRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001443058404 1066261025 /nfs/dbraw/zinc/26/10/25/1066261025.db2.gz YEZRKBDIXJIDCW-ROUUACIJSA-N 0 0 451.567 4.904 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cnc1Br ZINC001454268209 1066261487 /nfs/dbraw/zinc/26/14/87/1066261487.db2.gz JPEMNIACEWDKSO-OAQYLSRUSA-N 0 0 451.364 4.693 20 0 JJADRN O=C(c1ccc(Br)cc1O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001454267924 1066261534 /nfs/dbraw/zinc/26/15/34/1066261534.db2.gz OWASOUXIYRHESH-JOCHJYFZSA-N 0 0 452.348 4.695 20 0 JJADRN Cn1nc(C(=O)Nc2n[nH]c(C3CC3)c2-c2ccccc2)c(Br)c1C(F)(F)F ZINC001454270203 1066262295 /nfs/dbraw/zinc/26/22/95/1066262295.db2.gz VZBZPZBEBIDHSG-UHFFFAOYSA-N 0 0 454.250 4.721 20 0 JJADRN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001545953902 1066262241 /nfs/dbraw/zinc/26/22/41/1066262241.db2.gz OHXBQERHVBLETQ-UHFFFAOYSA-N 0 0 450.560 4.828 20 0 JJADRN NS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1Cl ZINC001443069901 1066262508 /nfs/dbraw/zinc/26/25/08/1066262508.db2.gz HIIUWJGOCWIKPB-LJQANCHMSA-N 0 0 455.407 4.562 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)O1 ZINC001546059156 1066262530 /nfs/dbraw/zinc/26/25/30/1066262530.db2.gz FYXWWXSQIDBHMN-WXVAWEFUSA-N 0 0 499.725 4.921 20 0 JJADRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001443068085 1066262656 /nfs/dbraw/zinc/26/26/56/1066262656.db2.gz GBNLNIFIQIFFJE-NRFANRHFSA-N 0 0 458.393 4.955 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059229 1066263167 /nfs/dbraw/zinc/26/31/67/1066263167.db2.gz GVZPKAQUJAWYDX-BWKNWUBXSA-N 0 0 460.066 4.899 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(Cl)c(Br)cc3F)CC2)cc1 ZINC001443083980 1066263124 /nfs/dbraw/zinc/26/31/24/1066263124.db2.gz CLUUZFJRLMAKEL-UHFFFAOYSA-N 0 0 453.739 4.585 20 0 JJADRN CN(C(=O)CCc1cc(Br)ccc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361039990 1066263114 /nfs/dbraw/zinc/26/31/14/1066263114.db2.gz BZAAGJWRFXKMBK-UHFFFAOYSA-N 0 0 457.384 4.815 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1c[nH]nc1I ZINC001443073403 1066263273 /nfs/dbraw/zinc/26/32/73/1066263273.db2.gz OETLRIZTAGGMQJ-INIZCTEOSA-N 0 0 457.743 4.589 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361041444 1066263723 /nfs/dbraw/zinc/26/37/23/1066263723.db2.gz YPIVYPFFUQPHQJ-QHCPKHFHSA-N 0 0 450.579 4.601 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)c1)C(=O)C(F)(F)F ZINC001443085866 1066264015 /nfs/dbraw/zinc/26/40/15/1066264015.db2.gz JKHZMYNIWVWKOC-UHFFFAOYSA-N 0 0 457.452 4.926 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC001443086462 1066264041 /nfs/dbraw/zinc/26/40/41/1066264041.db2.gz HJFZGNXXPUOBHS-OAQYLSRUSA-N 0 0 453.974 4.687 20 0 JJADRN CC(C)Oc1ccc(F)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001443086477 1066264057 /nfs/dbraw/zinc/26/40/57/1066264057.db2.gz HLFJGWFYFKCZBV-PBEJRMEISA-N 0 0 450.551 4.746 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(CN(CC)C(=O)C(F)(F)F)c2)cc1 ZINC001443085861 1066264151 /nfs/dbraw/zinc/26/41/51/1066264151.db2.gz JFJWQNSFIAUYCH-UHFFFAOYSA-N 0 0 450.457 4.598 20 0 JJADRN O=C(CNC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccc(F)cc1Cl ZINC001454279989 1066264470 /nfs/dbraw/zinc/26/44/70/1066264470.db2.gz JRRPAMXZYYGMML-UHFFFAOYSA-N 0 0 453.720 4.978 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCCCO2)c1 ZINC001361041497 1066264397 /nfs/dbraw/zinc/26/43/97/1066264397.db2.gz AGCCTJLRBBHDIF-IBGZPJMESA-N 0 0 488.430 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCOc2cc(C)cc(C)c2)o1 ZINC001361041678 1066264766 /nfs/dbraw/zinc/26/47/66/1066264766.db2.gz GJISGHRKFSIMEH-HXUWFJFHSA-N 0 0 495.624 4.988 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361041841 1066264963 /nfs/dbraw/zinc/26/49/63/1066264963.db2.gz KPLYAIFZZRDTRT-NZQKXSOJSA-N 0 0 483.657 4.981 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001443092402 1066265349 /nfs/dbraw/zinc/26/53/49/1066265349.db2.gz PWBNMBOTVMKNIM-LJQANCHMSA-N 0 0 453.391 4.553 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001443092111 1066265384 /nfs/dbraw/zinc/26/53/84/1066265384.db2.gz UBQKWYBOJOMDDE-XMMPIXPASA-N 0 0 452.595 4.726 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCOc3cc(C)cc(C)c3)CC2)s1 ZINC001361042166 1066265508 /nfs/dbraw/zinc/26/55/08/1066265508.db2.gz UTQJLNNQZVMOFW-UHFFFAOYSA-N 0 0 495.693 4.941 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001454290700 1066265641 /nfs/dbraw/zinc/26/56/41/1066265641.db2.gz RTXZHCVGNBBNIF-UEVCKROQSA-N 0 0 452.595 4.997 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042157 1066265584 /nfs/dbraw/zinc/26/55/84/1066265584.db2.gz UMTARMFCJHEPML-HSZRJFAPSA-N 0 0 466.548 4.771 20 0 JJADRN Cc1[nH]nc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1-c1ccccc1F ZINC001454290639 1066265753 /nfs/dbraw/zinc/26/57/53/1066265753.db2.gz VUCVXXLLMQCHBP-JOCHJYFZSA-N 0 0 458.493 4.730 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361042235 1066266110 /nfs/dbraw/zinc/26/61/10/1066266110.db2.gz XCLGGPAOSBSZHI-FYYLOGMGSA-N 0 0 499.656 4.661 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2ccccc2NCc2cccnc2)c1)C(=O)C(F)(F)F ZINC001443093455 1066266201 /nfs/dbraw/zinc/26/62/01/1066266201.db2.gz AZOYLUPRHWLPCA-UHFFFAOYSA-N 0 0 456.468 4.857 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC001361042232 1066266194 /nfs/dbraw/zinc/26/61/94/1066266194.db2.gz XAMUARJIAYKOCZ-UHFFFAOYSA-N 0 0 491.684 4.721 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2nccs2)c1 ZINC001361042268 1066266271 /nfs/dbraw/zinc/26/62/71/1066266271.db2.gz XZKLCYXEKOLKQR-UHFFFAOYSA-N 0 0 469.014 4.825 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546059495 1066266387 /nfs/dbraw/zinc/26/63/87/1066266387.db2.gz KZOJUJMCQBQQNP-GDLBMTQOSA-N 0 0 472.678 4.531 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546059529 1066266449 /nfs/dbraw/zinc/26/64/49/1066266449.db2.gz LTHLWQPJLHARIJ-HMSFNWTKSA-N 0 0 491.677 4.607 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545954312 1066266626 /nfs/dbraw/zinc/26/66/26/1066266626.db2.gz CBXJADCFWXWLEI-WXFUMESZSA-N 0 0 490.652 4.804 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545954309 1066266730 /nfs/dbraw/zinc/26/67/30/1066266730.db2.gz CBXJADCFWXWLEI-RBZQAINGSA-N 0 0 490.652 4.804 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC[C@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361042770 1066266703 /nfs/dbraw/zinc/26/67/03/1066266703.db2.gz PDHFIXZCHVLIPQ-WNCULLNHSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nnc2C(C)(C)C)c1 ZINC001361042667 1066266850 /nfs/dbraw/zinc/26/68/50/1066266850.db2.gz LVHAEQJMXHNLMT-HXUWFJFHSA-N 0 0 471.646 4.717 20 0 JJADRN C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC001454304244 1066266945 /nfs/dbraw/zinc/26/69/45/1066266945.db2.gz FHNGCMFKXOWYBM-QHCPKHFHSA-N 0 0 457.368 4.537 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@@](C)(O)c3ccc(Cl)cc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001443098349 1066267243 /nfs/dbraw/zinc/26/72/43/1066267243.db2.gz BGVGBFHWDZFIKH-LKBUQDJMSA-N 0 0 456.892 4.819 20 0 JJADRN CCN(Cc1cccc(NC(=O)Cc2nc(-c3ccco3)c(C)s2)c1)C(=O)C(F)(F)F ZINC001443098539 1066267594 /nfs/dbraw/zinc/26/75/94/1066267594.db2.gz XNLFARIKWDXQRZ-UHFFFAOYSA-N 0 0 451.470 4.804 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N(C)Cc3ccccc3C)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001546059611 1066267684 /nfs/dbraw/zinc/26/76/84/1066267684.db2.gz MTXOUZQLCANGSH-DFCKQENNSA-N 0 0 456.631 4.611 20 0 JJADRN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000030037742 1066267830 /nfs/dbraw/zinc/26/78/30/1066267830.db2.gz RYEVJPGLRKQDDY-UHFFFAOYSA-N 0 0 491.400 4.787 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N(C)Cc3ccccc3C)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001546059614 1066267942 /nfs/dbraw/zinc/26/79/42/1066267942.db2.gz MTXOUZQLCANGSH-RCXJIHSJSA-N 0 0 456.631 4.611 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N(C)Cc3ccccc3C)nnc2[C@@]2(OC(C)C)CCOC2)O1 ZINC001546059612 1066267972 /nfs/dbraw/zinc/26/79/72/1066267972.db2.gz MTXOUZQLCANGSH-DNRSQYFGSA-N 0 0 456.631 4.611 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C(F)(F)C3(O)CCCCC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001443100794 1066268214 /nfs/dbraw/zinc/26/82/14/1066268214.db2.gz JZVHSJOUIQGQPC-OKILXGFUSA-N 0 0 450.448 4.588 20 0 JJADRN O=C(c1cc(Br)cn2ccnc12)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443101767 1066268840 /nfs/dbraw/zinc/26/88/40/1066268840.db2.gz UWDKSVPEFPBJAS-INIZCTEOSA-N 0 0 455.139 4.617 20 0 JJADRN CC(C)OC1CN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001454314524 1066269556 /nfs/dbraw/zinc/26/95/56/1066269556.db2.gz DYJMMECHIIBMAZ-VWLOTQADSA-N 0 0 450.579 4.528 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)Cn1c(C)c(Br)c3ccccc31)O[C@H](C)C2 ZINC001443104256 1066269524 /nfs/dbraw/zinc/26/95/24/1066269524.db2.gz UGWLGORGTGIMIO-CQSZACIVSA-N 0 0 457.368 4.751 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCC(C)(C)c3ccccc3Cl)cn2c1 ZINC001443118955 1066270244 /nfs/dbraw/zinc/27/02/44/1066270244.db2.gz AHCYLYOPRRITEH-UHFFFAOYSA-N 0 0 456.974 4.720 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(Nc2nccs2)cc1F)C(=O)N1CCc2sccc2C1 ZINC001443119196 1066270277 /nfs/dbraw/zinc/27/02/77/1066270277.db2.gz LMGBSEMGJVAVPZ-SFHVURJKSA-N 0 0 458.584 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCn1cncc1-c1ccccc1 ZINC001454327503 1066270371 /nfs/dbraw/zinc/27/03/71/1066270371.db2.gz KLHVTCNSUHULOD-BDTNDASRSA-N 0 0 452.599 4.625 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545954604 1066270821 /nfs/dbraw/zinc/27/08/21/1066270821.db2.gz HPQNZQKYOZQJMN-BHDDXSALSA-N 0 0 471.646 4.739 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCO[C@@H]2CCCC[C@H]2C)c2ccccc2n1 ZINC001361045623 1066270911 /nfs/dbraw/zinc/27/09/11/1066270911.db2.gz DNRMUFFAZPBRTE-NTKDMRAZSA-N 0 0 492.668 4.748 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545954562 1066271136 /nfs/dbraw/zinc/27/11/36/1066271136.db2.gz GZEMGDREVMGIQZ-FCEUIQTBSA-N 0 0 471.646 4.596 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC001443125125 1066271158 /nfs/dbraw/zinc/27/11/58/1066271158.db2.gz OCMZMLWNUZBQRN-UHFFFAOYSA-N 0 0 451.571 4.944 20 0 JJADRN O=C(NCc1cccc(F)c1F)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001454339889 1066272266 /nfs/dbraw/zinc/27/22/66/1066272266.db2.gz COEIWQMCKQJBOC-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN COc1ccc(C[C@H](NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c2ccccc2)cc1OC ZINC001443134460 1066272378 /nfs/dbraw/zinc/27/23/78/1066272378.db2.gz OEQGLRVOIOLLBF-KJZXJLKKSA-N 0 0 480.605 4.797 20 0 JJADRN C[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001443138447 1066272495 /nfs/dbraw/zinc/27/24/95/1066272495.db2.gz KZMSOUDWLFCNGB-OALUTQOASA-N 0 0 452.576 4.568 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)OC ZINC001545954661 1066272872 /nfs/dbraw/zinc/27/28/72/1066272872.db2.gz IRESXSRKPZWUPQ-MOPGFXCFSA-N 0 0 474.531 4.617 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)OC ZINC001545954662 1066273139 /nfs/dbraw/zinc/27/31/39/1066273139.db2.gz IRESXSRKPZWUPQ-OALUTQOASA-N 0 0 474.531 4.617 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nnc2C(C)(C)C)O1 ZINC001546060167 1066273105 /nfs/dbraw/zinc/27/31/05/1066273105.db2.gz WKABPZUSPOCGGP-AVRWGWEMSA-N 0 0 492.039 4.678 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546060222 1066273932 /nfs/dbraw/zinc/27/39/32/1066273932.db2.gz WZQVDHXHDWHQOZ-AMGIVPHBSA-N 0 0 499.725 4.921 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CC(F)(F)F ZINC001361046036 1066273977 /nfs/dbraw/zinc/27/39/77/1066273977.db2.gz SEXZHLPZJXCFIS-UHFFFAOYSA-N 0 0 486.498 4.522 20 0 JJADRN COc1ccccc1C(=O)NCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001443154829 1066274426 /nfs/dbraw/zinc/27/44/26/1066274426.db2.gz LRKUNCMAQITXJY-UHFFFAOYSA-N 0 0 458.436 4.662 20 0 JJADRN C[C@H](Cc1c[nH]cn1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152715 1066274546 /nfs/dbraw/zinc/27/45/46/1066274546.db2.gz CFVJUGQOZGONHQ-QGZVFWFLSA-N 0 0 457.405 4.829 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361046170 1066274552 /nfs/dbraw/zinc/27/45/52/1066274552.db2.gz XUTVPKNAXLKZGV-QGZVFWFLSA-N 0 0 464.614 4.809 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(OC)c(Br)c2)O1 ZINC001546060379 1066274506 /nfs/dbraw/zinc/27/45/06/1066274506.db2.gz ZEORUOIAUIKLBR-BTYIYWSLSA-N 0 0 475.391 4.541 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCOc2cc(F)ccc2C1 ZINC001454358904 1066274984 /nfs/dbraw/zinc/27/49/84/1066274984.db2.gz BCTUPPQHVNMWFO-JOCHJYFZSA-N 0 0 452.913 4.762 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccc(N4CCOC[C@@H]4C)c(Cl)c3)c2)n1 ZINC001454356550 1066275043 /nfs/dbraw/zinc/27/50/43/1066275043.db2.gz KHLCDABKKQGIJH-INIZCTEOSA-N 0 0 451.958 4.528 20 0 JJADRN CCN1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc21 ZINC001443158434 1066275275 /nfs/dbraw/zinc/27/52/75/1066275275.db2.gz VZRCHEDITRWTSS-UHFFFAOYSA-N 0 0 455.967 4.776 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443163526 1066275795 /nfs/dbraw/zinc/27/57/95/1066275795.db2.gz VNDAQDZWWDFOCF-QHCPKHFHSA-N 0 0 452.595 4.914 20 0 JJADRN O=C(N[C@@H](CO)[C@H](O)C1CCCCC1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454380400 1066276638 /nfs/dbraw/zinc/27/66/38/1066276638.db2.gz QQIDRAPOFWBZCE-RBBKRZOGSA-N 0 0 456.633 4.621 20 0 JJADRN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@]2(CC=CCC2)C1)NC(=O)OC(C)(C)C ZINC001545954961 1066276706 /nfs/dbraw/zinc/27/67/06/1066276706.db2.gz MYEWTVVNFNPWLZ-UZINWLIJSA-N 0 0 491.677 4.632 20 0 JJADRN O=C(CCOCC(F)F)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443167469 1066276792 /nfs/dbraw/zinc/27/67/92/1066276792.db2.gz XWCKRNSHDQNMCG-UHFFFAOYSA-N 0 0 457.348 4.899 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C(=O)OC(C)(C)C ZINC001443171066 1066277447 /nfs/dbraw/zinc/27/74/47/1066277447.db2.gz XYAMZSRGUGBNND-IEBWSBKVSA-N 0 0 469.557 4.981 20 0 JJADRN CC(C)(C)Oc1cccc(CCC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 ZINC001443172818 1066277519 /nfs/dbraw/zinc/27/75/19/1066277519.db2.gz XRISKJCDAPRMLQ-HSZRJFAPSA-N 0 0 455.986 4.819 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545955108 1066278028 /nfs/dbraw/zinc/27/80/28/1066278028.db2.gz PDASKDYKYXFTQX-LAUBAEHRSA-N 0 0 475.609 4.713 20 0 JJADRN COc1ccc(C=O)c(OCC(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)c1 ZINC001443203909 1066279277 /nfs/dbraw/zinc/27/92/77/1066279277.db2.gz HNWRCGBTBDFBLS-UHFFFAOYSA-N 0 0 455.514 4.745 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361049038 1066279801 /nfs/dbraw/zinc/27/98/01/1066279801.db2.gz QPDHNBDWLSMHDC-HXUWFJFHSA-N 0 0 462.642 4.979 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccnn3Cc3cccc(Br)c3)cc2C1 ZINC001443207088 1066279777 /nfs/dbraw/zinc/27/97/77/1066279777.db2.gz QLQQXXPWVMKMPC-CQSZACIVSA-N 0 0 455.356 4.562 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccnn3Cc3cccc(Br)c3)cc2C1 ZINC001443207081 1066279839 /nfs/dbraw/zinc/27/98/39/1066279839.db2.gz QLQQXXPWVMKMPC-AWEZNQCLSA-N 0 0 455.356 4.562 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1F)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001443211184 1066280304 /nfs/dbraw/zinc/28/03/04/1066280304.db2.gz WTMLDGFUYXTEDD-UHFFFAOYSA-N 0 0 451.901 4.839 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049172 1066280884 /nfs/dbraw/zinc/28/08/84/1066280884.db2.gz VNMBBHRPSVZKRP-IBGZPJMESA-N 0 0 494.640 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)C(C)(C)C1 ZINC001443216922 1066281426 /nfs/dbraw/zinc/28/14/26/1066281426.db2.gz OLHJEZDGQMOJQT-HXUWFJFHSA-N 0 0 456.514 4.877 20 0 JJADRN O=C(CNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1cc(Cl)ccc1F ZINC001454427531 1066281683 /nfs/dbraw/zinc/28/16/83/1066281683.db2.gz TUNUYDAQUHJNJJ-UHFFFAOYSA-N 0 0 450.272 4.559 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1 ZINC001454436250 1066281702 /nfs/dbraw/zinc/28/17/02/1066281702.db2.gz SQSHDCARBQEDSI-NRFANRHFSA-N 0 0 450.579 4.861 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 ZINC001546061600 1066282358 /nfs/dbraw/zinc/28/23/58/1066282358.db2.gz CEAMZWXZWHVOGW-NIJXNBFTSA-N 0 0 474.049 4.836 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)OC ZINC001545955659 1066282796 /nfs/dbraw/zinc/28/27/96/1066282796.db2.gz ZBTOGIOVQRRKLQ-VXKWHMMOSA-N 0 0 457.022 4.936 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)n2)c1 ZINC001443227353 1066282841 /nfs/dbraw/zinc/28/28/41/1066282841.db2.gz QUJJMYCCCHYVCF-LJQANCHMSA-N 0 0 451.552 4.617 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H](CC)OC)c1ccccc1 ZINC001545955657 1066282964 /nfs/dbraw/zinc/28/29/64/1066282964.db2.gz ZBTOGIOVQRRKLQ-FCHUYYIVSA-N 0 0 457.022 4.936 20 0 JJADRN CCn1c(CCNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 ZINC001443228471 1066283112 /nfs/dbraw/zinc/28/31/12/1066283112.db2.gz WJVMPOAQCLDAAR-JPYJTQIMSA-N 0 0 450.583 4.617 20 0 JJADRN CCc1c(Br)cc(C(=O)NCc2c3nc[nH]c3ccc2F)cc1Br ZINC001454448247 1066283356 /nfs/dbraw/zinc/28/33/56/1066283356.db2.gz CQBINDJHHMJEEM-UHFFFAOYSA-N 0 0 455.125 4.719 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC001454450264 1066283591 /nfs/dbraw/zinc/28/35/91/1066283591.db2.gz MCVPBRFURGDIMM-UHFFFAOYSA-N 0 0 454.665 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC001443239662 1066283486 /nfs/dbraw/zinc/28/34/86/1066283486.db2.gz KDQVCZLEVCXDJE-OTWHNJEPSA-N 0 0 463.416 4.838 20 0 JJADRN O=C(NCCc1c[nH]c2c1cccc2Cl)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001454448998 1066283655 /nfs/dbraw/zinc/28/36/55/1066283655.db2.gz JOPDTPMGAIHBKC-UHFFFAOYSA-N 0 0 452.963 4.768 20 0 JJADRN Cc1cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361049983 1066283832 /nfs/dbraw/zinc/28/38/32/1066283832.db2.gz RKFPQWITCFVINY-MRXNPFEDSA-N 0 0 495.521 4.722 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001454457240 1066284293 /nfs/dbraw/zinc/28/42/93/1066284293.db2.gz LOXBVWAFBCOQCM-LAUBAEHRSA-N 0 0 462.905 4.705 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c(Cl)c1 ZINC001443255830 1066284999 /nfs/dbraw/zinc/28/49/99/1066284999.db2.gz UUMMMZUVMRVPQY-UHFFFAOYSA-N 0 0 457.987 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C(C)(C)[C@H]21 ZINC001454459583 1066285064 /nfs/dbraw/zinc/28/50/64/1066285064.db2.gz GWZZURMSHLWABP-UXPWSPDFSA-N 0 0 458.990 4.884 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1C(F)F ZINC001454458790 1066285178 /nfs/dbraw/zinc/28/51/78/1066285178.db2.gz DOJCHDZCCGOWIW-ZTFGCOKTSA-N 0 0 454.562 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ccc(Nc4cccnc4)cc3)C(C)(C)[C@H]21 ZINC001454458987 1066285232 /nfs/dbraw/zinc/28/52/32/1066285232.db2.gz FMPVIWYGMBEDNL-VSKRKVRLSA-N 0 0 450.583 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3ccc(Nc4cccnc4)cc3)C(C)(C)[C@H]21 ZINC001454458984 1066285259 /nfs/dbraw/zinc/28/52/59/1066285259.db2.gz FMPVIWYGMBEDNL-FSSWDIPSSA-N 0 0 450.583 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3csc(-c4ccc(O)cc4)n3)C(C)(C)[C@H]21 ZINC001454459577 1066285276 /nfs/dbraw/zinc/28/52/76/1066285276.db2.gz GTSBGAOMXMLKAB-NEWSRXKRSA-N 0 0 457.596 4.670 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)C2CC2)n1 ZINC001361050378 1066285173 /nfs/dbraw/zinc/28/51/73/1066285173.db2.gz PGGFBYLHDAYSIX-UHFFFAOYSA-N 0 0 458.971 4.644 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c1 ZINC001443258684 1066285643 /nfs/dbraw/zinc/28/56/43/1066285643.db2.gz AHRLROIQMVWYJF-UHFFFAOYSA-N 0 0 453.336 4.782 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)c2c1 ZINC001454462205 1066285773 /nfs/dbraw/zinc/28/57/73/1066285773.db2.gz JWKRNFGIVSTMNM-XMDBHEJHSA-N 0 0 457.546 4.542 20 0 JJADRN O=C(/C=C/c1ccccc1C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454463432 1066285941 /nfs/dbraw/zinc/28/59/41/1066285941.db2.gz LDMHNLWXPAIGIU-JXMROGBWSA-N 0 0 456.386 4.608 20 0 JJADRN Cc1cc(Br)c(CC(=O)NC2CCN(c3nc4ccccc4s3)CC2)s1 ZINC001443262446 1066286348 /nfs/dbraw/zinc/28/63/48/1066286348.db2.gz IGWNQMCEXHBAGD-UHFFFAOYSA-N 0 0 450.427 4.756 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCOc2c(C)cccc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051618 1066286542 /nfs/dbraw/zinc/28/65/42/1066286542.db2.gz WLAMVYUSABUVED-VWLOTQADSA-N 0 0 451.588 4.690 20 0 JJADRN CC(C)Oc1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1Cl ZINC001454465557 1066286679 /nfs/dbraw/zinc/28/66/79/1066286679.db2.gz MGOACXSHFDGAHG-NXHRZFHOSA-N 0 0 451.995 4.676 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)COCCc1ccc(Br)cc1 ZINC001443264901 1066286579 /nfs/dbraw/zinc/28/65/79/1066286579.db2.gz NYIHFASLQPCSJC-UHFFFAOYSA-N 0 0 453.380 4.941 20 0 JJADRN COC[C@H](C)N(C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCc2ccccc21 ZINC001454467204 1066287047 /nfs/dbraw/zinc/28/70/47/1066287047.db2.gz GWLSHTLQDKOQNA-IEXUWNMDSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)(C)C)c2ccccc2n1 ZINC001361051833 1066287115 /nfs/dbraw/zinc/28/71/15/1066287115.db2.gz BUVYYKUBKRHOQW-IBGZPJMESA-N 0 0 494.640 4.720 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)cc2c1 ZINC001454467043 1066287258 /nfs/dbraw/zinc/28/72/58/1066287258.db2.gz MZHNNZXGFQUJHO-STZQEDGTSA-N 0 0 453.583 4.706 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)/C=C\c1cccc(O)c1 ZINC001454471263 1066287940 /nfs/dbraw/zinc/28/79/40/1066287940.db2.gz ISKOBXJKFZPCFR-WAYWQWQTSA-N 0 0 458.093 4.720 20 0 JJADRN Cc1sc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c(C(N)=O)c1C ZINC001361052997 1066288376 /nfs/dbraw/zinc/28/83/76/1066288376.db2.gz UTRSPVUBIUPJFY-UHFFFAOYSA-N 0 0 456.877 4.633 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001361053130 1066288384 /nfs/dbraw/zinc/28/83/84/1066288384.db2.gz AFVBFSZHCGROKT-NBMJBFSESA-N 0 0 457.550 4.694 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001361053132 1066288455 /nfs/dbraw/zinc/28/84/55/1066288455.db2.gz AFVBFSZHCGROKT-UKBAYJJMSA-N 0 0 457.550 4.694 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)C(C)(C)c3csc(-c4c(F)cccc4F)n3)CCN2)c1 ZINC001454472732 1066288512 /nfs/dbraw/zinc/28/85/12/1066288512.db2.gz LEHXSRXOJQPYOF-LJQANCHMSA-N 0 0 457.546 4.548 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001454473789 1066288534 /nfs/dbraw/zinc/28/85/34/1066288534.db2.gz MDURRAOEBFFOLY-UONOGXRCSA-N 0 0 472.120 4.810 20 0 JJADRN O=C(N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)C1(c2cccc(Cl)c2)CCC1 ZINC001454475008 1066288554 /nfs/dbraw/zinc/28/85/54/1066288554.db2.gz VZNMPFDRUOQQLJ-UHFFFAOYSA-N 0 0 450.888 4.652 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)cc1F ZINC001454472710 1066288559 /nfs/dbraw/zinc/28/85/59/1066288559.db2.gz ZQRIDBZLLVZZDJ-ZBFHGGJFSA-N 0 0 451.325 4.510 20 0 JJADRN CCn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1-c1ccccc1 ZINC001454471900 1066288573 /nfs/dbraw/zinc/28/85/73/1066288573.db2.gz QBFJZWJWWWWQKL-VLCRHTCISA-N 0 0 452.599 4.724 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)no1 ZINC001361053274 1066288768 /nfs/dbraw/zinc/28/87/68/1066288768.db2.gz DFEJVURGMHCMFF-OAHLLOKOSA-N 0 0 490.461 4.952 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nccn2C(F)F)no1 ZINC001361053409 1066288836 /nfs/dbraw/zinc/28/88/36/1066288836.db2.gz HXHWDSZTAKGEKN-QGZVFWFLSA-N 0 0 471.512 4.608 20 0 JJADRN O=C(c1ccc(C(=O)N2CCc3cc(F)cc(Br)c3C2)cc1)c1cccc(O)c1 ZINC001454477084 1066288855 /nfs/dbraw/zinc/28/88/55/1066288855.db2.gz QVICCELKUXSXPF-UHFFFAOYSA-N 0 0 454.295 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC001454476283 1066289144 /nfs/dbraw/zinc/28/91/44/1066289144.db2.gz PLXXMKDSXDLCHE-QGZVFWFLSA-N 0 0 455.368 4.509 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001454476581 1066289245 /nfs/dbraw/zinc/28/92/45/1066289245.db2.gz UWFZPVZXPJCDBZ-OLMNPRSZSA-N 0 0 455.521 4.901 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)no1 ZINC001361053521 1066289579 /nfs/dbraw/zinc/28/95/79/1066289579.db2.gz KEPKORYKVZOZBI-OAHLLOKOSA-N 0 0 490.461 4.952 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)c1cc(Cl)cn1C ZINC001454477231 1066289778 /nfs/dbraw/zinc/28/97/78/1066289778.db2.gz RPFCIPMLQMFZGQ-UHFFFAOYSA-N 0 0 453.505 4.606 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001361054203 1066290139 /nfs/dbraw/zinc/29/01/39/1066290139.db2.gz GZTNERHEHMDNLY-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN COc1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc(OC)c1Br ZINC001361054531 1066290198 /nfs/dbraw/zinc/29/01/98/1066290198.db2.gz UPQCMOOJHBCMIK-UHFFFAOYSA-N 0 0 450.329 4.603 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2ccncc2)no1 ZINC001361054023 1066290207 /nfs/dbraw/zinc/29/02/07/1066290207.db2.gz YXCFVIIJEJXMOT-QGZVFWFLSA-N 0 0 452.946 4.642 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001361054633 1066290233 /nfs/dbraw/zinc/29/02/33/1066290233.db2.gz ZNNHPFWMCYEHML-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN CC(C)(CO)c1nc2cc(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)ccc2[nH]1 ZINC001443290326 1066290356 /nfs/dbraw/zinc/29/03/56/1066290356.db2.gz KCHWEDJDRVQMCF-UHFFFAOYSA-N 0 0 451.473 4.942 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCCOCC2CC2)no1 ZINC001361054722 1066290931 /nfs/dbraw/zinc/29/09/31/1066290931.db2.gz COQMFXWHVKVPIU-UHFFFAOYSA-N 0 0 478.366 4.596 20 0 JJADRN CCCn1c(C)c(C(=O)N2CCC([C@H](O)c3cccc(OC)c3)CC2)c2cc(OC)ccc21 ZINC001454488383 1066291415 /nfs/dbraw/zinc/29/14/15/1066291415.db2.gz LHZYMCROWSQFLE-SANMLTNESA-N 0 0 450.579 4.963 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@](C)(O)C(C)C)no1 ZINC001361054814 1066291541 /nfs/dbraw/zinc/29/15/41/1066291541.db2.gz HGUDLZHTVHLZHG-HXUWFJFHSA-N 0 0 482.810 4.701 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2C[C@@H](C)O[C@H](C)C2)no1 ZINC001361054921 1066291985 /nfs/dbraw/zinc/29/19/85/1066291985.db2.gz KVMHEIDUBHUQPT-CHWSQXEVSA-N 0 0 480.432 4.906 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCCn2ccnc2C)no1 ZINC001361054911 1066292018 /nfs/dbraw/zinc/29/20/18/1066292018.db2.gz KNWPIUYNMSBRFY-UHFFFAOYSA-N 0 0 484.402 4.626 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC2CC(OC(C)(C)C)C2)no1 ZINC001361054879 1066292116 /nfs/dbraw/zinc/29/21/16/1066292116.db2.gz JHUCUERUEPPBPF-UHFFFAOYSA-N 0 0 491.434 4.952 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001361054920 1066292130 /nfs/dbraw/zinc/29/21/30/1066292130.db2.gz KVMHEIDUBHUQPT-AGGWBTHJSA-N 0 0 480.432 4.906 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N=c2sccn2Cc2ccccc2Cl)C1(C)C ZINC001443298447 1066291988 /nfs/dbraw/zinc/29/19/88/1066291988.db2.gz XBFISIYMVQLZOZ-NVXWUHKLSA-N 0 0 450.004 4.618 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)N3CC(Cc4ccccc4Br)C3)c21 ZINC001454492168 1066292679 /nfs/dbraw/zinc/29/26/79/1066292679.db2.gz JGTFXJWFCIZZHK-UHFFFAOYSA-N 0 0 456.384 4.865 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001443304182 1066293060 /nfs/dbraw/zinc/29/30/60/1066293060.db2.gz NYZQSQVUMAPACU-LJQANCHMSA-N 0 0 457.958 4.563 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361055308 1066293282 /nfs/dbraw/zinc/29/32/82/1066293282.db2.gz UTOVWVICLQBYFN-PMERELPUSA-N 0 0 492.487 4.538 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2cc(C)oc2C)no1 ZINC001361055261 1066293320 /nfs/dbraw/zinc/29/33/20/1066293320.db2.gz UITZWYITHLEPGN-HSZRJFAPSA-N 0 0 455.946 4.649 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCCC2(C)C)no1 ZINC001361055058 1066293378 /nfs/dbraw/zinc/29/33/78/1066293378.db2.gz QAJYDDAYGJYTQO-QFIPXVFZSA-N 0 0 492.393 4.721 20 0 JJADRN CCc1c(C(=O)N2CC(Cc3ccccc3Br)C2)cnn1-c1ccccc1OC ZINC001454499746 1066293891 /nfs/dbraw/zinc/29/38/91/1066293891.db2.gz WCBKSDDVAFUFLT-UHFFFAOYSA-N 0 0 454.368 4.521 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)Oc2cccc(F)c2)no1 ZINC001361055321 1066293831 /nfs/dbraw/zinc/29/38/31/1066293831.db2.gz VERUSDIVVSFISN-CQSZACIVSA-N 0 0 489.349 4.575 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CSc2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC001361055483 1066293864 /nfs/dbraw/zinc/29/38/64/1066293864.db2.gz IMFDJBBCQJOLQN-UHFFFAOYSA-N 0 0 458.561 4.794 20 0 JJADRN COC(=O)CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)c1cccc(F)c1 ZINC001361055851 1066294436 /nfs/dbraw/zinc/29/44/36/1066294436.db2.gz TXGKEPZIFUTVOO-LBPRGKRZSA-N 0 0 458.711 4.605 20 0 JJADRN COC(=O)c1sc2ccccc2c1CNC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001443312098 1066294376 /nfs/dbraw/zinc/29/43/76/1066294376.db2.gz PPKWDGOQIKEADM-FUHWJXTLSA-N 0 0 460.596 4.778 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H]2CCc3cccc(OC)c32)c2ccc(OC)cc2)n1 ZINC001361055846 1066294642 /nfs/dbraw/zinc/29/46/42/1066294642.db2.gz TWPOTMOZMLMSHK-GOSISDBHSA-N 0 0 452.532 4.732 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC1)Oc1cccc(F)c1 ZINC001545956987 1066295131 /nfs/dbraw/zinc/29/51/31/1066295131.db2.gz MMKAFGCCFBWOSF-SFHVURJKSA-N 0 0 476.394 4.889 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC3(CCSCC3)CC2)cc1 ZINC001454522308 1066295801 /nfs/dbraw/zinc/29/58/01/1066295801.db2.gz LUCNDZDKCVVQME-UHFFFAOYSA-N 0 0 458.649 4.651 20 0 JJADRN COc1c(N)c(C(=O)Nc2cccc3c2OC(C)(C)CC3=O)cc(Cl)c1Br ZINC001454519695 1066295844 /nfs/dbraw/zinc/29/58/44/1066295844.db2.gz BFTDCOAPBRKIOT-UHFFFAOYSA-N 0 0 453.720 4.689 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCCC2(C)C)no1 ZINC001361056308 1066295892 /nfs/dbraw/zinc/29/58/92/1066295892.db2.gz LEDKWIXRICYGBN-QFIPXVFZSA-N 0 0 492.393 4.721 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443334074 1066295929 /nfs/dbraw/zinc/29/59/29/1066295929.db2.gz JLBYREMRNBKBSW-JPYJTQIMSA-N 0 0 453.652 4.849 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361056176 1066295989 /nfs/dbraw/zinc/29/59/89/1066295989.db2.gz GIYYLCGBUDZMFK-UHFFFAOYSA-N 0 0 471.005 4.805 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)c2ccc(OC)cc2)C1 ZINC001546062671 1066295965 /nfs/dbraw/zinc/29/59/65/1066295965.db2.gz VIBCSMIDJNZDFW-AFMDSPMNSA-N 0 0 462.598 4.754 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2cc(C)oc2C)no1 ZINC001361056403 1066296379 /nfs/dbraw/zinc/29/63/79/1066296379.db2.gz OQLUESVVIYFSNZ-HSZRJFAPSA-N 0 0 473.936 4.788 20 0 JJADRN O=C(c1cc2c(cccc2Br)[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001546063063 1066296559 /nfs/dbraw/zinc/29/65/59/1066296559.db2.gz DVJQOAHPEFLRJB-UHFFFAOYSA-N 0 0 452.274 4.912 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361056352 1066296556 /nfs/dbraw/zinc/29/65/56/1066296556.db2.gz MWFTUEHQYAPFDG-OFNKIYASSA-N 0 0 476.625 4.930 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1[nH]c2ccccc2c1Br)C1CC1 ZINC001443339780 1066296964 /nfs/dbraw/zinc/29/69/64/1066296964.db2.gz GUMSUGQYERJPJA-IBGZPJMESA-N 0 0 455.352 4.709 20 0 JJADRN O=C(Nc1cccc(C2CCOCC2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001454538346 1066297077 /nfs/dbraw/zinc/29/70/77/1066297077.db2.gz OZQILRRQOIPOSK-UHFFFAOYSA-N 0 0 454.523 4.773 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)ccc1Cl ZINC001454538247 1066297163 /nfs/dbraw/zinc/29/71/63/1066297163.db2.gz NXINXLOGHDDQBM-QGZVFWFLSA-N 0 0 452.363 4.654 20 0 JJADRN CCON(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)[C@H](C)c1cccc(Br)c1 ZINC001454540056 1066297828 /nfs/dbraw/zinc/29/78/28/1066297828.db2.gz LMDXHFDOODDAAT-OAHLLOKOSA-N 0 0 459.315 4.894 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001545957275 1066297937 /nfs/dbraw/zinc/29/79/37/1066297937.db2.gz SNWQSQBNIXIGFF-QGZVFWFLSA-N 0 0 475.515 4.575 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccnc3)n2Cc2c(C)sc(C)c2Br)no1 ZINC001361057343 1066297903 /nfs/dbraw/zinc/29/79/03/1066297903.db2.gz HOCMOALQXXIPFK-UHFFFAOYSA-N 0 0 473.400 4.762 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC001454541126 1066298304 /nfs/dbraw/zinc/29/83/04/1066298304.db2.gz WYSHJWYUKHJWHE-OAQYLSRUSA-N 0 0 459.999 4.563 20 0 JJADRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C ZINC001443350234 1066298358 /nfs/dbraw/zinc/29/83/58/1066298358.db2.gz XRECDROLRYDGDV-QGZVFWFLSA-N 0 0 454.910 4.796 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361059477 1066298871 /nfs/dbraw/zinc/29/88/71/1066298871.db2.gz BRMAGCLRYKHUNK-JOCHJYFZSA-N 0 0 465.598 4.979 20 0 JJADRN CCON(C(=O)c1cc(S(=O)(=O)CC)ccc1F)[C@H](C)c1cccc(Br)c1 ZINC001454545091 1066298932 /nfs/dbraw/zinc/29/89/32/1066298932.db2.gz VDOGTLPYDQAYJC-CYBMUJFWSA-N 0 0 458.349 4.537 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001443353403 1066299039 /nfs/dbraw/zinc/29/90/39/1066299039.db2.gz HEYCGIIAVVMEFY-CEMLEFRQSA-N 0 0 464.050 4.894 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)c1 ZINC001361059022 1066299070 /nfs/dbraw/zinc/29/90/70/1066299070.db2.gz XMIADBWZKKGEQB-UHFFFAOYSA-N 0 0 452.551 4.609 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CN1C(=O)OC(C)(C)C ZINC001454549778 1066299639 /nfs/dbraw/zinc/29/96/39/1066299639.db2.gz SANMKXUULOPGJH-NVXWUHKLSA-N 0 0 451.995 4.964 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CN1C(=O)OC(C)(C)C ZINC001454547921 1066299864 /nfs/dbraw/zinc/29/98/64/1066299864.db2.gz JZHMDOQPYONUGZ-UZLBHIALSA-N 0 0 451.567 4.706 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)n2)cc1 ZINC001454550786 1066300255 /nfs/dbraw/zinc/30/02/55/1066300255.db2.gz WKWNHWYGWRWCDM-OALUTQOASA-N 0 0 454.615 4.996 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCCc3ccccc3OCc3ccccc3)[nH]n2)cc1OC ZINC001454552473 1066300266 /nfs/dbraw/zinc/30/02/66/1066300266.db2.gz YHHSGDDGFOLHFU-UHFFFAOYSA-N 0 0 457.530 4.645 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)ccc1OCc1ccccc1Cl ZINC001454550738 1066300302 /nfs/dbraw/zinc/30/03/02/1066300302.db2.gz YRGMVCWLELYOGW-FQEVSTJZSA-N 0 0 456.970 4.545 20 0 JJADRN Cc1cc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)no1 ZINC001361061016 1066300567 /nfs/dbraw/zinc/30/05/67/1066300567.db2.gz BAXYYRHEHBFZLM-UHFFFAOYSA-N 0 0 450.518 4.784 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)no1 ZINC001361060692 1066300839 /nfs/dbraw/zinc/30/08/39/1066300839.db2.gz SDDCPZJAHFBNSX-UXHICEINSA-N 0 0 470.618 4.682 20 0 JJADRN Cn1c(C(=O)N2CC(Nc3ccc(F)cc3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454553515 1066300577 /nfs/dbraw/zinc/30/05/77/1066300577.db2.gz MHRJOTFZDCLLHI-OAQYLSRUSA-N 0 0 456.562 4.563 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNC(=O)C2CCC2)C1 ZINC001546062447 1066300762 /nfs/dbraw/zinc/30/07/62/1066300762.db2.gz QQDYKHQJCOAICK-KDYSTLNUSA-N 0 0 467.658 4.968 20 0 JJADRN CN(C)c1cccc(COC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 ZINC001361062395 1066301543 /nfs/dbraw/zinc/30/15/43/1066301543.db2.gz SQAUATGWTYMRDL-UHFFFAOYSA-N 0 0 454.368 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c2ccccc21 ZINC001454566043 1066301793 /nfs/dbraw/zinc/30/17/93/1066301793.db2.gz UIUMUONXYADBDN-SJLPKXTDSA-N 0 0 459.949 4.713 20 0 JJADRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC001454570524 1066301855 /nfs/dbraw/zinc/30/18/55/1066301855.db2.gz AMCBSKWPMVUYAM-UHFFFAOYSA-N 0 0 451.571 4.771 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@@H](C)Cc3cccs3)nc2n1 ZINC001361062625 1066301662 /nfs/dbraw/zinc/30/16/62/1066301662.db2.gz BCCOIFLSKMBCRB-HNNXBMFYSA-N 0 0 451.621 4.704 20 0 JJADRN Cc1cc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1O ZINC001545957703 1066302312 /nfs/dbraw/zinc/30/23/12/1066302312.db2.gz BEZJIXCOTRFWDL-UHFFFAOYSA-N 0 0 452.576 4.729 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361063059 1066302438 /nfs/dbraw/zinc/30/24/38/1066302438.db2.gz CRAGDLHWJKVVQE-HXUWFJFHSA-N 0 0 498.603 4.588 20 0 JJADRN COc1ccc(-c2csc(NC(=O)c3cc(C)n(C[C@H]4CCCOC4)c3C)n2)cc1OC ZINC001443367253 1066302834 /nfs/dbraw/zinc/30/28/34/1066302834.db2.gz FRNUMUXSCBMRPR-QGZVFWFLSA-N 0 0 455.580 4.925 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361064438 1066303892 /nfs/dbraw/zinc/30/38/92/1066303892.db2.gz DSVCMIQARRUYBL-YKSBVNFPSA-N 0 0 467.614 4.674 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC001546063323 1066304030 /nfs/dbraw/zinc/30/40/30/1066304030.db2.gz NOELSUKZSSKIOF-UHFFFAOYSA-N 0 0 455.546 4.568 20 0 JJADRN CSc1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)n1-c1ccccc1 ZINC001454578686 1066304219 /nfs/dbraw/zinc/30/42/19/1066304219.db2.gz LRPXIKUMHHYAQY-KRWDZBQOSA-N 0 0 458.628 4.750 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)no1 ZINC001361064817 1066304477 /nfs/dbraw/zinc/30/44/77/1066304477.db2.gz SXSUZDNZKUSIQE-UHFFFAOYSA-N 0 0 470.499 4.848 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc2)n1 ZINC001454586083 1066304986 /nfs/dbraw/zinc/30/49/86/1066304986.db2.gz YOFFNUOERRCOBD-NRFANRHFSA-N 0 0 454.615 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC(C)(C)C1 ZINC001454583377 1066305025 /nfs/dbraw/zinc/30/50/25/1066305025.db2.gz SEUXGCJFZUALNP-AWEZNQCLSA-N 0 0 455.386 4.797 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c1 ZINC001443403012 1066305898 /nfs/dbraw/zinc/30/58/98/1066305898.db2.gz DHSZCFNMVXQYON-UHFFFAOYSA-N 0 0 455.605 4.626 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454589682 1066305907 /nfs/dbraw/zinc/30/59/07/1066305907.db2.gz RORNKZQBVBCVIA-WFASDCNBSA-N 0 0 455.502 4.957 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)ccc1F ZINC001443403045 1066306292 /nfs/dbraw/zinc/30/62/92/1066306292.db2.gz FDQDXCYAMJWZER-UHFFFAOYSA-N 0 0 458.530 4.782 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c2ccc(Cl)cc21 ZINC001454592388 1066306510 /nfs/dbraw/zinc/30/65/10/1066306510.db2.gz FCQTWUUQYNUQHI-UHFFFAOYSA-N 0 0 454.979 4.757 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCO2)c1 ZINC001361066519 1066306280 /nfs/dbraw/zinc/30/62/80/1066306280.db2.gz LGERXLNLTGGTSI-HFZDXXHNSA-N 0 0 469.630 4.864 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)c1 ZINC001361066698 1066306422 /nfs/dbraw/zinc/30/64/22/1066306422.db2.gz PBRULPYBNSMYSL-NRFANRHFSA-N 0 0 457.619 4.720 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@@H]2C)no1 ZINC001361066754 1066306978 /nfs/dbraw/zinc/30/69/78/1066306978.db2.gz RCTDBXIOSBWKBV-GOEBONIOSA-N 0 0 480.396 4.769 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)c2ccc(Br)cc21 ZINC001454593755 1066307067 /nfs/dbraw/zinc/30/70/67/1066307067.db2.gz JLYZZPNRKHVCBG-GOSISDBHSA-N 0 0 458.352 4.955 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361066710 1066307096 /nfs/dbraw/zinc/30/70/96/1066307096.db2.gz PEOLDWBWWDXAHK-WZONZLPQSA-N 0 0 471.577 4.770 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cn2)c1 ZINC001443409883 1066307148 /nfs/dbraw/zinc/30/71/48/1066307148.db2.gz CMVUPWJMEGPRGJ-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2F)c2ccc(Br)cc21 ZINC001454595580 1066307289 /nfs/dbraw/zinc/30/72/89/1066307289.db2.gz QUOGDGKIUHASQU-ZDUSSCGKSA-N 0 0 450.304 4.770 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccnc(F)c2F)c2ccc(Br)cc21 ZINC001454596872 1066307441 /nfs/dbraw/zinc/30/74/41/1066307441.db2.gz VFMCPDJYPQQXCL-LBPRGKRZSA-N 0 0 453.283 4.598 20 0 JJADRN CN(C)C(=O)NCCc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC001454596820 1066307540 /nfs/dbraw/zinc/30/75/40/1066307540.db2.gz KOUKWOYOHGUXPZ-UHFFFAOYSA-N 0 0 458.278 4.534 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCC2)no1 ZINC001361066904 1066307366 /nfs/dbraw/zinc/30/73/66/1066307366.db2.gz XKCAULAKYFCXCI-QUCCMNQESA-N 0 0 456.591 4.639 20 0 JJADRN Cc1cc(C)c(O)c(NC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC001454598401 1066307984 /nfs/dbraw/zinc/30/79/84/1066307984.db2.gz JHZRIJPGBRWYHB-UHFFFAOYSA-N 0 0 450.970 4.632 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)c2cc(F)ccc2F)c1 ZINC001361068438 1066308268 /nfs/dbraw/zinc/30/82/68/1066308268.db2.gz KZVFMSCWZRAWPU-QFIPXVFZSA-N 0 0 453.514 4.950 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 ZINC001492597844 1066308425 /nfs/dbraw/zinc/30/84/25/1066308425.db2.gz CLDUWLRAFWVVHG-RUZDIDTESA-N 0 0 451.640 4.763 20 0 JJADRN CCCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001361068425 1066308477 /nfs/dbraw/zinc/30/84/77/1066308477.db2.gz KWOWLGSVAJNSHK-SFTDATJTSA-N 0 0 456.048 4.870 20 0 JJADRN CCCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361068423 1066308564 /nfs/dbraw/zinc/30/85/64/1066308564.db2.gz KWOWLGSVAJNSHK-NHCUHLMSSA-N 0 0 456.048 4.870 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1)C1CC1 ZINC001454601130 1066308698 /nfs/dbraw/zinc/30/86/98/1066308698.db2.gz ZZZXNPTUHCXVEQ-AWEZNQCLSA-N 0 0 456.490 4.856 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1)OC ZINC001545958385 1066309560 /nfs/dbraw/zinc/30/95/60/1066309560.db2.gz BULHGNYTNGPPIE-RBUKOAKNSA-N 0 0 470.570 4.639 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cccc(OC(C)C)c2)no1 ZINC001361070652 1066309967 /nfs/dbraw/zinc/30/99/67/1066309967.db2.gz RJZZESCDBKAMJF-UHFFFAOYSA-N 0 0 499.413 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)C1 ZINC001443427838 1066310086 /nfs/dbraw/zinc/31/00/86/1066310086.db2.gz HWBCPEWLFZVOLR-HXUWFJFHSA-N 0 0 459.587 4.721 20 0 JJADRN O=C(CSCC(=O)N1CCCCC1)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001454627123 1066311161 /nfs/dbraw/zinc/31/11/61/1066311161.db2.gz JTGLWXXWLLHQPT-KRWDZBQOSA-N 0 0 459.837 4.512 20 0 JJADRN COc1cc(C=O)ccc1OCC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001454626916 1066311177 /nfs/dbraw/zinc/31/11/77/1066311177.db2.gz IFEBVJZEQFKVRZ-KRWDZBQOSA-N 0 0 452.732 4.666 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC001361071224 1066311315 /nfs/dbraw/zinc/31/13/15/1066311315.db2.gz GITJVMRHBKHIEA-UHFFFAOYSA-N 0 0 489.592 4.659 20 0 JJADRN NC(=O)N[C@H](CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccccc1 ZINC001454627227 1066311292 /nfs/dbraw/zinc/31/12/92/1066311292.db2.gz KPWZAHMHJDBWDA-GOSISDBHSA-N 0 0 457.456 4.507 20 0 JJADRN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001454626934 1066311349 /nfs/dbraw/zinc/31/13/49/1066311349.db2.gz IQBBUALLMUOAKV-MOSHPQCFSA-N 0 0 454.452 4.884 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCC1(O)CCN(c2ccccc2)CC1 ZINC001454627644 1066311428 /nfs/dbraw/zinc/31/14/28/1066311428.db2.gz YNHKQMGURUPQIN-HSZRJFAPSA-N 0 0 458.602 4.583 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001545958499 1066311519 /nfs/dbraw/zinc/31/15/19/1066311519.db2.gz FOPBXGWSCIDFDG-GOSISDBHSA-N 0 0 465.602 4.627 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)N1CCO[C@H](CC)C1 ZINC001454629058 1066311675 /nfs/dbraw/zinc/31/16/75/1066311675.db2.gz RJTCLPZRJATTDI-MOPGFXCFSA-N 0 0 450.505 4.596 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@H](C)c2nccs2)no1 ZINC001361071702 1066311922 /nfs/dbraw/zinc/31/19/22/1066311922.db2.gz MXAVUCHAADWNNH-ZDUSSCGKSA-N 0 0 473.400 4.749 20 0 JJADRN CCOC(=O)c1csc(CNC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)n1 ZINC001443446399 1066312318 /nfs/dbraw/zinc/31/23/18/1066312318.db2.gz JIHVPBWWANXLSY-OAHLLOKOSA-N 0 0 451.592 4.949 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC001454630200 1066312333 /nfs/dbraw/zinc/31/23/33/1066312333.db2.gz ABRZOASKHINMFJ-UHFFFAOYSA-N 0 0 456.014 4.985 20 0 JJADRN CC[C@H]1[C@@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001454633449 1066312493 /nfs/dbraw/zinc/31/24/93/1066312493.db2.gz PKGYMEYKUCXWIA-WMZOPIPTSA-N 0 0 453.505 4.881 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001454633447 1066312638 /nfs/dbraw/zinc/31/26/38/1066312638.db2.gz PKGYMEYKUCXWIA-SJLPKXTDSA-N 0 0 453.505 4.881 20 0 JJADRN CCOC(=O)c1csc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n1 ZINC001443446311 1066312631 /nfs/dbraw/zinc/31/26/31/1066312631.db2.gz HSIUATXXCGKPSR-UHFFFAOYSA-N 0 0 455.483 4.701 20 0 JJADRN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001443447802 1066312647 /nfs/dbraw/zinc/31/26/47/1066312647.db2.gz GVDCPIWTFNYOBL-UHFFFAOYSA-N 0 0 454.317 4.683 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC001443451847 1066312947 /nfs/dbraw/zinc/31/29/47/1066312947.db2.gz PCPBGEWHJCHSAC-KRWDZBQOSA-N 0 0 452.501 4.712 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CC=CCC2)cs1 ZINC001361072258 1066312913 /nfs/dbraw/zinc/31/29/13/1066312913.db2.gz ZKEOXXLETPEMON-SFHVURJKSA-N 0 0 456.637 4.559 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(C)(C)COC)C1 ZINC001546063985 1066313012 /nfs/dbraw/zinc/31/30/12/1066313012.db2.gz HMSLXBLSHUZGRS-RUZDIDTESA-N 0 0 490.718 4.626 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC001443452758 1066313566 /nfs/dbraw/zinc/31/35/66/1066313566.db2.gz QOWLLWPSXJHECE-UHFFFAOYSA-N 0 0 458.892 4.876 20 0 JJADRN Cc1ccc(N(CCC(=O)N(C)c2ccc(O)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001454640735 1066313797 /nfs/dbraw/zinc/31/37/97/1066313797.db2.gz HMEUACBDYORVJY-UHFFFAOYSA-N 0 0 452.576 4.566 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)C(C)(C)C ZINC001443456191 1066314074 /nfs/dbraw/zinc/31/40/74/1066314074.db2.gz CLABZWRSZHSYGY-JOCHJYFZSA-N 0 0 450.583 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@@H](c3ccccc3)c3ccccc32)C1 ZINC001454650444 1066314056 /nfs/dbraw/zinc/31/40/56/1066314056.db2.gz NLKFRSRJBJEPKR-IDISGSTGSA-N 0 0 450.579 4.707 20 0 JJADRN CC(C)COC[C@@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccco1 ZINC001361073247 1066314226 /nfs/dbraw/zinc/31/42/26/1066314226.db2.gz DDHFFRXUTINNCH-MRXNPFEDSA-N 0 0 451.292 4.980 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073469 1066314668 /nfs/dbraw/zinc/31/46/68/1066314668.db2.gz KEOULCUDTQZJGE-VQTJNVASSA-N 0 0 480.613 4.728 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073720 1066314756 /nfs/dbraw/zinc/31/47/56/1066314756.db2.gz OGNFYSGZWIMYDS-QZTJIDSGSA-N 0 0 484.576 4.559 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)Cc1ccc(O)cc1 ZINC001443463149 1066314565 /nfs/dbraw/zinc/31/45/65/1066314565.db2.gz PDAOCZDRYCYWAV-SBGXLDQMSA-N 0 0 455.963 4.796 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cnc1Br ZINC001443462717 1066314602 /nfs/dbraw/zinc/31/46/02/1066314602.db2.gz SFDUISHACKINMA-HNNXBMFYSA-N 0 0 457.372 4.803 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001454653079 1066314888 /nfs/dbraw/zinc/31/48/88/1066314888.db2.gz LJLZSCLTVXFFAU-IEBWSBKVSA-N 0 0 461.345 4.865 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001492597899 1066315058 /nfs/dbraw/zinc/31/50/58/1066315058.db2.gz HQHAIHXIKTZUHE-MOPGFXCFSA-N 0 0 467.580 4.715 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001454653504 1066315367 /nfs/dbraw/zinc/31/53/67/1066315367.db2.gz BNQPKDZOPUAXBE-HHXXYDBFSA-N 0 0 451.405 4.943 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454654292 1066315519 /nfs/dbraw/zinc/31/55/19/1066315519.db2.gz GCPOHVAQLPTICY-FHWLQOOXSA-N 0 0 455.640 4.612 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454654546 1066315535 /nfs/dbraw/zinc/31/55/35/1066315535.db2.gz IAJYQKHGQAVOPK-SUMDDJOVSA-N 0 0 451.405 4.943 20 0 JJADRN C[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)N1CCCC[C@@H]1C ZINC001443469526 1066315585 /nfs/dbraw/zinc/31/55/85/1066315585.db2.gz VFSJIBHEIOOTAE-ROUUACIJSA-N 0 0 450.970 4.712 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC001454656538 1066315901 /nfs/dbraw/zinc/31/59/01/1066315901.db2.gz OUJDLTHMAWJISL-NHCUHLMSSA-N 0 0 450.023 4.600 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545959064 1066316160 /nfs/dbraw/zinc/31/61/60/1066316160.db2.gz PFOSESSWZQIOGA-QKNQBKEWSA-N 0 0 490.048 4.765 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C(C)C)C2)cs1 ZINC001361076664 1066316426 /nfs/dbraw/zinc/31/64/26/1066316426.db2.gz AAPFXFWUBFXAJO-SFTDATJTSA-N 0 0 489.686 4.672 20 0 JJADRN Cc1cc(Cn2c(C3CCCC3)nnc2N(C)CCCOc2cccc(S(C)(=O)=O)c2)cs1 ZINC001361076883 1066316590 /nfs/dbraw/zinc/31/65/90/1066316590.db2.gz CSFPMRVPPJJKIM-UHFFFAOYSA-N 0 0 488.679 4.663 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC)C1)Oc1cccc(F)c1 ZINC001545959083 1066316743 /nfs/dbraw/zinc/31/67/43/1066316743.db2.gz PLXDGSAYAKXXGP-MJGOQNOKSA-N 0 0 492.393 4.648 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454660818 1066317075 /nfs/dbraw/zinc/31/70/75/1066317075.db2.gz PWDSRQJVUHMWIK-NVXWUHKLSA-N 0 0 455.393 4.512 20 0 JJADRN COC(=O)[C@H](CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)Cc1cccc(F)c1 ZINC001443488209 1066317055 /nfs/dbraw/zinc/31/70/55/1066317055.db2.gz JTPRNLUEACXNCG-INIZCTEOSA-N 0 0 458.530 4.514 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454660816 1066317331 /nfs/dbraw/zinc/31/73/31/1066317331.db2.gz PWDSRQJVUHMWIK-DOTOQJQBSA-N 0 0 455.393 4.512 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)cs1 ZINC001361077467 1066317293 /nfs/dbraw/zinc/31/72/93/1066317293.db2.gz QQNXRSVJMGCZBJ-PKOBYXMFSA-N 0 0 477.700 4.753 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cc(Br)cs2)cs1 ZINC001361077777 1066317547 /nfs/dbraw/zinc/31/75/47/1066317547.db2.gz ZNVKLYRIGWNORH-AWEZNQCLSA-N 0 0 453.431 4.661 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cs1 ZINC001361078044 1066317622 /nfs/dbraw/zinc/31/76/22/1066317622.db2.gz IOAWBRLSLYNJAY-LJQANCHMSA-N 0 0 453.656 4.941 20 0 JJADRN COC(=O)[C@H](CNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC001443491181 1066317606 /nfs/dbraw/zinc/31/76/06/1066317606.db2.gz RCKURTWWZMYNEK-INIZCTEOSA-N 0 0 454.325 4.634 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001545959226 1066317625 /nfs/dbraw/zinc/31/76/25/1066317625.db2.gz SABNMKDINKVXIY-HLLBOEOZSA-N 0 0 492.393 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)C1 ZINC001443492352 1066317867 /nfs/dbraw/zinc/31/78/67/1066317867.db2.gz ISSNZXHNCYFHHS-IBGZPJMESA-N 0 0 457.596 4.653 20 0 JJADRN Cc1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)CC2)cs1 ZINC001361078443 1066318082 /nfs/dbraw/zinc/31/80/82/1066318082.db2.gz UDGZVWAYJGTFOQ-XLIONFOSSA-N 0 0 475.659 4.631 20 0 JJADRN CCc1c(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493744 1066318387 /nfs/dbraw/zinc/31/83/87/1066318387.db2.gz BCISZUCBIFNJFZ-OAHLLOKOSA-N 0 0 453.384 4.787 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ncccc2N(C)C)C1 ZINC001546064356 1066318924 /nfs/dbraw/zinc/31/89/24/1066318924.db2.gz NIGGFQQYYWYMST-XMMPIXPASA-N 0 0 499.457 4.852 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2CCCCO2)C1 ZINC001546064431 1066319269 /nfs/dbraw/zinc/31/92/69/1066319269.db2.gz OTCPITDRICHBEZ-KBMIEXCESA-N 0 0 458.603 4.557 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2CCCCO2)C1 ZINC001546064429 1066319295 /nfs/dbraw/zinc/31/92/95/1066319295.db2.gz OTCPITDRICHBEZ-CLOONOSVSA-N 0 0 458.603 4.557 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NCc2cc(Cl)ccc2OC(F)F)s1 ZINC001361079996 1066319358 /nfs/dbraw/zinc/31/93/58/1066319358.db2.gz TWBLZICSPTVERS-OAHLLOKOSA-N 0 0 452.914 4.540 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080610 1066319626 /nfs/dbraw/zinc/31/96/26/1066319626.db2.gz PUTDHZCTUCBJRZ-HXUWFJFHSA-N 0 0 471.602 4.530 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)ccc1OCc1c(C)noc1C ZINC001454690748 1066319796 /nfs/dbraw/zinc/31/97/96/1066319796.db2.gz UJYGTAKRABFHGN-JZHMJGTCSA-N 0 0 456.583 4.730 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)cc1 ZINC001454691382 1066319892 /nfs/dbraw/zinc/31/98/92/1066319892.db2.gz UCNMZLRJMFOJEZ-UHFFFAOYSA-N 0 0 456.955 4.819 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C2 ZINC001454690236 1066319924 /nfs/dbraw/zinc/31/99/24/1066319924.db2.gz GVFPDKMZUIGEEG-NRFANRHFSA-N 0 0 459.384 4.593 20 0 JJADRN Cc1cc(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cs1 ZINC001361081228 1066320067 /nfs/dbraw/zinc/32/00/67/1066320067.db2.gz KRPWZSVFVAJMEL-FQEVSTJZSA-N 0 0 480.556 4.866 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 ZINC001443503336 1066320171 /nfs/dbraw/zinc/32/01/71/1066320171.db2.gz MIXAMZCJCIHPJN-KRWDZBQOSA-N 0 0 457.621 4.623 20 0 JJADRN Cc1cc(Cn2c(CCCc3ccccc3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)no1 ZINC001361081281 1066320359 /nfs/dbraw/zinc/32/03/59/1066320359.db2.gz LPSDUOYPIWMNBB-UHFFFAOYSA-N 0 0 476.528 4.910 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC2CCCCC2)C1 ZINC001546064528 1066320435 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/nfs/dbraw/zinc/32/15/98/1066321598.db2.gz VGNNGQMKWUJAMF-UYAOXDASSA-N 0 0 485.629 4.502 20 0 JJADRN CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3N)sc2C)s1 ZINC001443513591 1066321636 /nfs/dbraw/zinc/32/16/36/1066321636.db2.gz YRXHBAKRCYOTHE-UHFFFAOYSA-N 0 0 454.499 4.669 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)n1 ZINC001443514025 1066321938 /nfs/dbraw/zinc/32/19/38/1066321938.db2.gz BFZQARJRTCPVKG-UHFFFAOYSA-N 0 0 457.534 4.757 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)OC ZINC001545959400 1066322082 /nfs/dbraw/zinc/32/20/82/1066322082.db2.gz VHHYWHZNHZDOAM-YYWHXJBOSA-N 0 0 490.048 4.859 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)OC ZINC001545959399 1066322170 /nfs/dbraw/zinc/32/21/70/1066322170.db2.gz VHHYWHZNHZDOAM-WMQCIHAUSA-N 0 0 490.048 4.859 20 0 JJADRN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]2CC1 ZINC001443520170 1066322346 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Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnccn2)n1CC1(C)CCC1 ZINC001361087567 1066327175 /nfs/dbraw/zinc/32/71/75/1066327175.db2.gz NUIXLPVBMMUUOQ-UHFFFAOYSA-N 0 0 455.006 4.868 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)cc2)n1 ZINC001454729116 1066327408 /nfs/dbraw/zinc/32/74/08/1066327408.db2.gz XFHOUYBMQHAVOO-QFIPXVFZSA-N 0 0 454.615 4.574 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCCC3(CCCCC3)C1)C2 ZINC001443543103 1066327754 /nfs/dbraw/zinc/32/77/54/1066327754.db2.gz XBYOPVIPIXHPJJ-FQEVSTJZSA-N 0 0 458.599 4.943 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCC[C@H]32)n1CCN(C)CC(F)(F)F ZINC001361087807 1066328012 /nfs/dbraw/zinc/32/80/12/1066328012.db2.gz CLVOJMPTYLWMKI-PKOBYXMFSA-N 0 0 485.982 4.734 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001361087877 1066328386 /nfs/dbraw/zinc/32/83/86/1066328386.db2.gz PXHQRDMZQMRVNJ-HGSOSGBHSA-N 0 0 491.076 4.806 20 0 JJADRN 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ZINC001454737353 1066329253 /nfs/dbraw/zinc/32/92/53/1066329253.db2.gz JTVFSJPPXVHYJU-BVAGGSTKSA-N 0 0 471.548 4.566 20 0 JJADRN Cc1cc(OC(F)F)c(C(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1 ZINC001454740429 1066329597 /nfs/dbraw/zinc/32/95/97/1066329597.db2.gz ONWQHLMRQFBGQX-INIZCTEOSA-N 0 0 454.539 4.914 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CCCCC2)n1C[C@@H]1COCCO1 ZINC001361088202 1066329859 /nfs/dbraw/zinc/32/98/59/1066329859.db2.gz SZMGVGCJFLUYND-JOCHJYFZSA-N 0 0 477.049 4.683 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001361088199 1066330292 /nfs/dbraw/zinc/33/02/92/1066330292.db2.gz SZAVWRSXYOSHNL-KCZVDYSFSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)C1 ZINC001361088278 1066330354 /nfs/dbraw/zinc/33/03/54/1066330354.db2.gz HGNUXHBHYQEPFC-UHFFFAOYSA-N 0 0 478.975 4.761 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1c(C)nn(C)c1C)OC ZINC001545960285 1066330675 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COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC001361089709 1066337966 /nfs/dbraw/zinc/33/79/66/1066337966.db2.gz AEIKJHRTEFHKHU-XMSQKQJNSA-N 0 0 456.608 4.902 20 0 JJADRN COc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c(I)c1 ZINC001361089745 1066338062 /nfs/dbraw/zinc/33/80/62/1066338062.db2.gz BHSAVXQZIINAPL-CQSZACIVSA-N 0 0 453.345 4.554 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001546065981 1066338019 /nfs/dbraw/zinc/33/80/19/1066338019.db2.gz DIJPCHLHVNIGEI-QHCPKHFHSA-N 0 0 488.405 4.529 20 0 JJADRN CCCn1cc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(C)n1 ZINC001443619797 1066338189 /nfs/dbraw/zinc/33/81/89/1066338189.db2.gz OKULCKBUQIDULI-DEOSSOPVSA-N 0 0 451.615 4.930 20 0 JJADRN COc1ccc(C(=O)CCCCCC(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1 ZINC001443618780 1066338268 /nfs/dbraw/zinc/33/82/68/1066338268.db2.gz KRFDOVPGKFNLQM-VWLOTQADSA-N 0 0 456.627 4.858 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546066043 1066338590 /nfs/dbraw/zinc/33/85/90/1066338590.db2.gz FQXDTKMFFUGDLC-UZTOHYMASA-N 0 0 473.506 4.943 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC001361090874 1066339323 /nfs/dbraw/zinc/33/93/23/1066339323.db2.gz SAXCUGNMWKSRLL-QFIPXVFZSA-N 0 0 451.636 4.591 20 0 JJADRN C[C@@](Cc1cccc(Br)c1)(NC(=O)c1ccc2c(n1)OCCO2)c1ccccc1 ZINC001361090730 1066339520 /nfs/dbraw/zinc/33/95/20/1066339520.db2.gz JSNRQGGAJBPVNV-QHCPKHFHSA-N 0 0 453.336 4.503 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2nc(-c3cnn(C)c3)oc2C)c2ccccc2Cl)c(C)c1 ZINC001361090855 1066339600 /nfs/dbraw/zinc/33/96/00/1066339600.db2.gz KMAPLHFOJKDQSW-JOCHJYFZSA-N 0 0 450.926 4.873 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCC(F)F)C1 ZINC001546066164 1066339568 /nfs/dbraw/zinc/33/95/68/1066339568.db2.gz HZXXLNSLHOEOJS-DEOSSOPVSA-N 0 0 457.525 4.667 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC(F)C1)OC ZINC001545960606 1066339847 /nfs/dbraw/zinc/33/98/47/1066339847.db2.gz HAWAHGKBULBSIY-ZALBZXLWSA-N 0 0 459.791 4.970 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001546066242 1066340189 /nfs/dbraw/zinc/34/01/89/1066340189.db2.gz JJQPPEIASSIQFU-AREMUKBSSA-N 0 0 466.630 4.798 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1 ZINC001443635292 1066341280 /nfs/dbraw/zinc/34/12/80/1066341280.db2.gz UTCIYVPGYZRZSO-NRFANRHFSA-N 0 0 450.482 4.834 20 0 JJADRN C[Si](C)(C)c1ccc(CC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1 ZINC001443633324 1066341412 /nfs/dbraw/zinc/34/14/12/1066341412.db2.gz NBCAJZNWJBOEPY-UHFFFAOYSA-N 0 0 458.053 4.882 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1C[C@H]1CCSC1 ZINC001361091726 1066341353 /nfs/dbraw/zinc/34/13/53/1066341353.db2.gz STXWPLWJHYSYOV-ZWKOTPCHSA-N 0 0 467.104 4.946 20 0 JJADRN CON(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC001454916286 1066342157 /nfs/dbraw/zinc/34/21/57/1066342157.db2.gz AXGIUIOWHKYLGG-ZIAGYGMSSA-N 0 0 454.976 4.737 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918666 1066342246 /nfs/dbraw/zinc/34/22/46/1066342246.db2.gz IOOKHTICOHRWSO-CZSIZBGPSA-N 0 0 456.586 4.561 20 0 JJADRN COCCCn1cc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001361091955 1066342492 /nfs/dbraw/zinc/34/24/92/1066342492.db2.gz XKTFDOULEIBVDC-QHCPKHFHSA-N 0 0 456.384 4.570 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC001454922334 1066342812 /nfs/dbraw/zinc/34/28/12/1066342812.db2.gz MYXYUUANQGQBPN-ZFWWWQNUSA-N 0 0 450.687 4.889 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(F)c2)cc1 ZINC001454930051 1066343200 /nfs/dbraw/zinc/34/32/00/1066343200.db2.gz IBGHXDPBISHCCX-XMMPIXPASA-N 0 0 457.546 4.875 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)cc1 ZINC001454930037 1066343241 /nfs/dbraw/zinc/34/32/41/1066343241.db2.gz IBGHXDPBISHCCX-DEOSSOPVSA-N 0 0 457.546 4.875 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCOc1ccc2ccccc2c1 ZINC001443641799 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QULSOGRUFCOOSZ-KRWDZBQOSA-N 0 0 497.537 4.965 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(F)(F)F ZINC001454937944 1066343925 /nfs/dbraw/zinc/34/39/25/1066343925.db2.gz ACYKRARGWPKWQC-GOSISDBHSA-N 0 0 455.546 4.571 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001443643555 1066343849 /nfs/dbraw/zinc/34/38/49/1066343849.db2.gz UZMAXILDCZCFOX-UHFFFAOYSA-N 0 0 457.861 4.773 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001361093639 1066343983 /nfs/dbraw/zinc/34/39/83/1066343983.db2.gz NOCGNJHPMGHHBA-KRWDZBQOSA-N 0 0 459.512 4.871 20 0 JJADRN O=C(CNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)N1CCCc2ccccc21 ZINC001361094146 1066344411 /nfs/dbraw/zinc/34/44/11/1066344411.db2.gz UWWKYRXDRDTOSA-XMMPIXPASA-N 0 0 452.526 4.894 20 0 JJADRN O=C(Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)c1ccc(OCC(F)(F)F)nc1 ZINC001454946112 1066344704 /nfs/dbraw/zinc/34/47/04/1066344704.db2.gz VMCWEESKSKUHQW-UHFFFAOYSA-N 0 0 455.436 4.770 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)cc1C ZINC001361094774 1066344829 /nfs/dbraw/zinc/34/48/29/1066344829.db2.gz KBINRPGYPQBWLI-UHFFFAOYSA-N 0 0 454.937 4.925 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001361094742 1066344884 /nfs/dbraw/zinc/34/48/84/1066344884.db2.gz JAXGARVLAXALAL-FQEVSTJZSA-N 0 0 457.638 4.544 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2OCC[C@H]2C)C1 ZINC001546066677 1066345334 /nfs/dbraw/zinc/34/53/34/1066345334.db2.gz SRMSAVKVPPGYAM-IQVOZAENSA-N 0 0 451.384 4.898 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001546066849 1066345352 /nfs/dbraw/zinc/34/53/52/1066345352.db2.gz WKPPPQICVSEQEH-OAQYLSRUSA-N 0 0 495.487 4.610 20 0 JJADRN CN1C(=O)CCc2cc(NC(=O)C(C)(C)[C@H](O)c3ccc(OCc4ccccc4)cc3)ccc21 ZINC001443662284 1066345523 /nfs/dbraw/zinc/34/55/23/1066345523.db2.gz JGAXBOPPDPUJRX-AREMUKBSSA-N 0 0 458.558 4.873 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCOC2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001361095185 1066345576 /nfs/dbraw/zinc/34/55/76/1066345576.db2.gz RNXPFOLBHIUYDO-QFIPXVFZSA-N 0 0 458.622 4.894 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC001443657090 1066345711 /nfs/dbraw/zinc/34/57/11/1066345711.db2.gz UHXDIOQIUULFDW-IAGOWNOFSA-N 0 0 457.596 4.761 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC001443659051 1066345729 /nfs/dbraw/zinc/34/57/29/1066345729.db2.gz ZFWSARKDAJPSPU-UHFFFAOYSA-N 0 0 455.337 4.820 20 0 JJADRN CN1C(=O)CCc2cc(NC(=O)C(C)(C)[C@@H](O)c3ccc(OCc4ccccc4)cc3)ccc21 ZINC001443662293 1066345763 /nfs/dbraw/zinc/34/57/63/1066345763.db2.gz JGAXBOPPDPUJRX-SANMLTNESA-N 0 0 458.558 4.873 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3sccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962680 1066345880 /nfs/dbraw/zinc/34/58/80/1066345880.db2.gz AUBVGTLEEAGOQL-XSDIEEQYSA-N 0 0 456.608 4.688 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963763 1066346301 /nfs/dbraw/zinc/34/63/01/1066346301.db2.gz LHKGZPKRIPYZIQ-MDPIYQRISA-N 0 0 472.532 4.596 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)Cc1cccc(C)c1 ZINC001443662563 1066346384 /nfs/dbraw/zinc/34/63/84/1066346384.db2.gz BFRCNTWASVCRBU-OIKPOIBNSA-N 0 0 457.570 4.826 20 0 JJADRN C[C@@H](CNC(=O)CCc1cc(Br)ccc1F)Oc1cccc(Br)c1 ZINC001361095955 1066346481 /nfs/dbraw/zinc/34/64/81/1066346481.db2.gz BJUKAYMUPDEULB-LBPRGKRZSA-N 0 0 459.153 4.867 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cnc(-c4ccco4)s3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964454 1066346592 /nfs/dbraw/zinc/34/65/92/1066346592.db2.gz PCMVHPKFVDCLNY-ZWKOTPCHSA-N 0 0 469.563 4.545 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001443672384 1066347036 /nfs/dbraw/zinc/34/70/36/1066347036.db2.gz HCLBMXKMIWPDML-FPOVZHCZSA-N 0 0 453.505 4.591 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1)c1ccccc1 ZINC001443670647 1066347205 /nfs/dbraw/zinc/34/72/05/1066347205.db2.gz CZQVZFSVPPQATP-HSZRJFAPSA-N 0 0 459.590 4.586 20 0 JJADRN C[C@@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)Oc1cccc(Br)c1 ZINC001361096391 1066347364 /nfs/dbraw/zinc/34/73/64/1066347364.db2.gz HLIDZCALLGBMSV-ZDUSSCGKSA-N 0 0 456.789 4.602 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3oc4ccc(OC)cc4c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966441 1066347310 /nfs/dbraw/zinc/34/73/10/1066347310.db2.gz VJLMHAIUILFGKG-FCHUYYIVSA-N 0 0 480.561 4.891 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443678892 1066348133 /nfs/dbraw/zinc/34/81/33/1066348133.db2.gz LTJFBFNKIMDQCG-UHFFFAOYSA-N 0 0 451.958 4.639 20 0 JJADRN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001443677671 1066348194 /nfs/dbraw/zinc/34/81/94/1066348194.db2.gz RUXKRNNLKMOOBE-GOSISDBHSA-N 0 0 450.583 4.717 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C)Oc1ccccc1F ZINC001545961019 1066348671 /nfs/dbraw/zinc/34/86/71/1066348671.db2.gz NFWCHDJUQYLUPB-HUUCEWRRSA-N 0 0 495.418 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)[C@H](O)C1 ZINC001454978889 1066348775 /nfs/dbraw/zinc/34/87/75/1066348775.db2.gz QHSZMARGZGSINF-IKRRHDPYSA-N 0 0 456.970 4.507 20 0 JJADRN C[C@@]1(C(F)(F)F)CN(C(=O)c2cc(Br)ccc2OCc2ccccc2)CCO1 ZINC001454976538 1066348792 /nfs/dbraw/zinc/34/87/92/1066348792.db2.gz QSTGBQDNCFWJDZ-IBGZPJMESA-N 0 0 458.274 4.822 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCCc2nc3cc(F)ccc3n2C)cs1 ZINC001443682884 1066349310 /nfs/dbraw/zinc/34/93/10/1066349310.db2.gz RLZVVDXDKMKDGN-UHFFFAOYSA-N 0 0 454.546 4.920 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492598102 1066349739 /nfs/dbraw/zinc/34/97/39/1066349739.db2.gz JJWQZDKGLJNMCM-NHCUHLMSSA-N 0 0 471.646 4.746 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC001443685333 1066349794 /nfs/dbraw/zinc/34/97/94/1066349794.db2.gz CVKRBSATNWAXKL-OAHLLOKOSA-N 0 0 459.019 4.569 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361099815 1066349941 /nfs/dbraw/zinc/34/99/41/1066349941.db2.gz MDMPMEYKWUNYJQ-UHFFFAOYSA-N 0 0 489.418 4.979 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NCCc2nc3cc(F)ccc3n2C)cc1 ZINC001443684885 1066349808 /nfs/dbraw/zinc/34/98/08/1066349808.db2.gz YRBGTPBUAGUTHV-UHFFFAOYSA-N 0 0 450.539 4.561 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361101071 1066350293 /nfs/dbraw/zinc/35/02/93/1066350293.db2.gz AREABXSDVGFLNQ-JOCHJYFZSA-N 0 0 493.656 4.835 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C(C)C)cc1 ZINC001361100624 1066350305 /nfs/dbraw/zinc/35/03/05/1066350305.db2.gz NNZUOEWMSDPYLJ-FYWRMAATSA-N 0 0 453.560 4.809 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C(C)C)cc1 ZINC001361100625 1066350351 /nfs/dbraw/zinc/35/03/51/1066350351.db2.gz NNZUOEWMSDPYLJ-SQFISAMPSA-N 0 0 453.560 4.809 20 0 JJADRN CCC(O)(CC)C(C)(C)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001454998915 1066350432 /nfs/dbraw/zinc/35/04/32/1066350432.db2.gz JQDFBXPGLYAGQW-UHFFFAOYSA-N 0 0 456.587 4.611 20 0 JJADRN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001443686174 1066350599 /nfs/dbraw/zinc/35/05/99/1066350599.db2.gz GZBXTDAATLMKOG-SNVBAGLBSA-N 0 0 454.408 4.554 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001361101466 1066350927 /nfs/dbraw/zinc/35/09/27/1066350927.db2.gz LNBSGHGSSNVAIB-QUCCMNQESA-N 0 0 491.583 4.893 20 0 JJADRN CN(CC1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1)C(=O)OC(C)(C)C ZINC001443689534 1066350937 /nfs/dbraw/zinc/35/09/37/1066350937.db2.gz VQTBTKAFWXMIOF-UHFFFAOYSA-N 0 0 451.539 4.807 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)c1 ZINC001361101509 1066351143 /nfs/dbraw/zinc/35/11/43/1066351143.db2.gz MRXKMJYKPAHRFE-LJQANCHMSA-N 0 0 457.619 4.630 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC001443692999 1066351215 /nfs/dbraw/zinc/35/12/15/1066351215.db2.gz ZADHRCGYHLGCTQ-HNNXBMFYSA-N 0 0 458.534 4.560 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Sc1ccc(Br)cc1 ZINC001361102524 1066351543 /nfs/dbraw/zinc/35/15/43/1066351543.db2.gz VRRQCAHLLFYJBK-HNNXBMFYSA-N 0 0 453.446 4.617 20 0 JJADRN Cc1cccc(F)c1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001361102427 1066351648 /nfs/dbraw/zinc/35/16/48/1066351648.db2.gz RIWWCRNTKJFKEL-GOSISDBHSA-N 0 0 451.336 4.779 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001361101970 1066351660 /nfs/dbraw/zinc/35/16/60/1066351660.db2.gz HWUPEYWQQULKCK-HZPDHXFCSA-N 0 0 455.462 4.721 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCCCC2)c1 ZINC001361102730 1066351942 /nfs/dbraw/zinc/35/19/42/1066351942.db2.gz DDDGZQMPNMJGPX-BGYRXZFFSA-N 0 0 469.630 4.820 20 0 JJADRN Cc1ncc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)c2cccc(C)c2)s1 ZINC001361102687 1066351982 /nfs/dbraw/zinc/35/19/82/1066351982.db2.gz BMTUGFPGTSJPFB-HDICACEKSA-N 0 0 468.627 4.938 20 0 JJADRN C[C@H](CC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443697394 1066352023 /nfs/dbraw/zinc/35/20/23/1066352023.db2.gz GAUXPEVJIZIQRX-SJBKTWHCSA-N 0 0 459.631 4.692 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCN2CCCCC2=O)c1 ZINC001361102741 1066351998 /nfs/dbraw/zinc/35/19/98/1066351998.db2.gz DNSQLYLPBNUGKS-QFIPXVFZSA-N 0 0 496.656 4.829 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)NCCc3cccc4ccccc43)cc2)c1 ZINC001443698313 1066352202 /nfs/dbraw/zinc/35/22/02/1066352202.db2.gz SWKPATOCXDXOGK-UHFFFAOYSA-N 0 0 454.526 4.838 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CC2)nc(C(C)C)n1 ZINC001361102699 1066352296 /nfs/dbraw/zinc/35/22/96/1066352296.db2.gz BWUQQHMRZHXOFH-HXUWFJFHSA-N 0 0 481.620 4.557 20 0 JJADRN CC(C)N(CCCNC(=O)CCCOc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC001443700422 1066352711 /nfs/dbraw/zinc/35/27/11/1066352711.db2.gz ZBTFHNXGQQGFPQ-UHFFFAOYSA-N 0 0 457.409 4.760 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001443701392 1066353187 /nfs/dbraw/zinc/35/31/87/1066353187.db2.gz DYVZETMEEYOSOS-MHZLTWQESA-N 0 0 458.643 4.994 20 0 JJADRN Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001443703022 1066353335 /nfs/dbraw/zinc/35/33/35/1066353335.db2.gz DMZDZGGIRARMAC-IBGZPJMESA-N 0 0 451.567 4.624 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001361103320 1066353373 /nfs/dbraw/zinc/35/33/73/1066353373.db2.gz ZUBGHMLIUZXIBO-QGZVFWFLSA-N 0 0 470.643 4.966 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@H](C)C1)OC ZINC001545961244 1066353466 /nfs/dbraw/zinc/35/34/66/1066353466.db2.gz RFXPHQOREMHYEP-ZBFHGGJFSA-N 0 0 477.428 4.982 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(SC)cc1 ZINC001361104141 1066353640 /nfs/dbraw/zinc/35/36/40/1066353640.db2.gz NIJYSXUNCWNIFF-LJQANCHMSA-N 0 0 450.398 4.833 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC001455012891 1066353861 /nfs/dbraw/zinc/35/38/61/1066353861.db2.gz XRYWSUSGOOERKS-HNNXBMFYSA-N 0 0 459.955 4.965 20 0 JJADRN COCc1cc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1OC ZINC001455021551 1066354109 /nfs/dbraw/zinc/35/41/09/1066354109.db2.gz QFJRQNNXUDPSDE-FQEVSTJZSA-N 0 0 457.571 4.895 20 0 JJADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Oc4cccc(C)c4)c3)cc(C(C)C)nc21 ZINC001455017203 1066354194 /nfs/dbraw/zinc/35/41/94/1066354194.db2.gz CIZSIWGUBPTMDZ-UHFFFAOYSA-N 0 0 458.518 4.993 20 0 JJADRN COCc1cc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)ccc1OC ZINC001455020133 1066354294 /nfs/dbraw/zinc/35/42/94/1066354294.db2.gz NFSZKWHURCNOLT-HXUWFJFHSA-N 0 0 454.523 4.662 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 ZINC001361105509 1066354323 /nfs/dbraw/zinc/35/43/23/1066354323.db2.gz MTTMEMIJZMWRGR-UHFFFAOYSA-N 0 0 496.729 4.731 20 0 JJADRN CCOC(=O)[C@H](CC=C(C)C)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001455025480 1066354404 /nfs/dbraw/zinc/35/44/04/1066354404.db2.gz JFFDQDXWEJFCPG-KRWDZBQOSA-N 0 0 454.354 4.770 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCC(=O)c2ccc(F)c3ccccc23)c1 ZINC001455044417 1066355084 /nfs/dbraw/zinc/35/50/84/1066355084.db2.gz SMWJBWUYQOCMGG-UHFFFAOYSA-N 0 0 454.929 4.907 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3CCCOc3ccc(F)cc3)CC2)nc(C(C)C)n1 ZINC001361105758 1066355102 /nfs/dbraw/zinc/35/51/02/1066355102.db2.gz VTUXKLPLXBYRTO-UHFFFAOYSA-N 0 0 495.647 4.633 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)c3cnn(C(C)C)c3n2)c(C)s1 ZINC001455043126 1066355269 /nfs/dbraw/zinc/35/52/69/1066355269.db2.gz AGANIXPSLMVBIZ-LJQANCHMSA-N 0 0 454.518 4.789 20 0 JJADRN Cc1nc(C(=O)NCC(=O)c2ccc(F)c3ccccc23)nn1-c1c(Cl)cccc1Cl ZINC001455041265 1066355372 /nfs/dbraw/zinc/35/53/72/1066355372.db2.gz HVNVVBKGWDESQK-UHFFFAOYSA-N 0 0 457.292 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001443706253 1066355532 /nfs/dbraw/zinc/35/55/32/1066355532.db2.gz UKUFTQMFUOUBRP-RDTXWAMCSA-N 0 0 459.414 4.816 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccnc3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC001546068047 1066355637 /nfs/dbraw/zinc/35/56/37/1066355637.db2.gz GZFXLSMLEYXJHJ-QFIPXVFZSA-N 0 0 459.520 4.883 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)s1 ZINC001455049046 1066355940 /nfs/dbraw/zinc/35/59/40/1066355940.db2.gz LTGQQXCBVUIDNT-UHFFFAOYSA-N 0 0 450.402 4.523 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3cc(Br)ccc3F)CC2)nc1C ZINC001455056999 1066356251 /nfs/dbraw/zinc/35/62/51/1066356251.db2.gz NXOTXCUYRWXQBP-UHFFFAOYSA-N 0 0 455.349 4.550 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001443717657 1066356338 /nfs/dbraw/zinc/35/63/38/1066356338.db2.gz ZYJBOLDAKBOUCO-PEBXRYMYSA-N 0 0 450.963 4.915 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC001361107588 1066356339 /nfs/dbraw/zinc/35/63/39/1066356339.db2.gz OXIBQVIZFVYJNV-OAHLLOKOSA-N 0 0 489.527 4.623 20 0 JJADRN CCC(CC)(NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 ZINC001443718464 1066356450 /nfs/dbraw/zinc/35/64/50/1066356450.db2.gz KNPADGJWKBQRGW-ZWKOTPCHSA-N 0 0 453.391 4.829 20 0 JJADRN CCCCNC(=O)C1CCN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)CC1 ZINC001443723771 1066356833 /nfs/dbraw/zinc/35/68/33/1066356833.db2.gz KQUYJUDXDSSSEF-UHFFFAOYSA-N 0 0 453.530 4.521 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361107842 1066356939 /nfs/dbraw/zinc/35/69/39/1066356939.db2.gz QVKZOMPNOFNNBX-FGZHOGPDSA-N 0 0 490.652 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455069476 1066357364 /nfs/dbraw/zinc/35/73/64/1066357364.db2.gz RBMSNPLQPQAXPO-OAQYLSRUSA-N 0 0 457.958 4.513 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361108419 1066357493 /nfs/dbraw/zinc/35/74/93/1066357493.db2.gz YAAIPEPMUQBQLO-AZUAARDMSA-N 0 0 477.531 4.607 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361108421 1066357532 /nfs/dbraw/zinc/35/75/32/1066357532.db2.gz YAAIPEPMUQBQLO-QUCCMNQESA-N 0 0 477.531 4.607 20 0 JJADRN CCOC(=O)CS[C@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(F)(F)F ZINC001455080214 1066357675 /nfs/dbraw/zinc/35/76/75/1066357675.db2.gz OQQYFSDWMJWQMG-IEBWSBKVSA-N 0 0 457.539 4.863 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)c1 ZINC001361109589 1066357923 /nfs/dbraw/zinc/35/79/23/1066357923.db2.gz BSPRDTNRKBSYTP-KNQAVFIVSA-N 0 0 469.630 4.972 20 0 JJADRN Cc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)CC2)n1 ZINC001361109651 1066358003 /nfs/dbraw/zinc/35/80/03/1066358003.db2.gz CPJGJMCNVSZQJC-LJQANCHMSA-N 0 0 483.686 4.519 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001361109683 1066358149 /nfs/dbraw/zinc/35/81/49/1066358149.db2.gz DJJUVOMEUOQYGP-XLIONFOSSA-N 0 0 452.521 4.554 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)CSc3nccn3-c3cc(C)ccc3C)nc21 ZINC001455079747 1066358291 /nfs/dbraw/zinc/35/82/91/1066358291.db2.gz CHNUTFSOPSTBRG-UHFFFAOYSA-N 0 0 454.577 4.847 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)c1 ZINC001361109813 1066358303 /nfs/dbraw/zinc/35/83/03/1066358303.db2.gz GHFVVDDFNSPODD-GMAHTHKFSA-N 0 0 499.656 4.599 20 0 JJADRN CCc1n[nH]c(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)c1Br ZINC001443727739 1066358491 /nfs/dbraw/zinc/35/84/91/1066358491.db2.gz SIMOSYHIFFERJG-LBPRGKRZSA-N 0 0 459.207 4.806 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CCc3ccc(Br)cc32)cc1 ZINC001443727075 1066358559 /nfs/dbraw/zinc/35/85/59/1066358559.db2.gz TZKFMPTVTDFETH-HXUWFJFHSA-N 0 0 458.400 4.561 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001361109938 1066358771 /nfs/dbraw/zinc/35/87/71/1066358771.db2.gz JPFZPAJGTWSGAO-GOSISDBHSA-N 0 0 466.548 4.680 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)OC ZINC001545961475 1066358830 /nfs/dbraw/zinc/35/88/30/1066358830.db2.gz WESQYGAXVBCPDF-ROUUACIJSA-N 0 0 491.455 4.642 20 0 JJADRN CC1(C)CC[C@H](NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001455085098 1066359126 /nfs/dbraw/zinc/35/91/26/1066359126.db2.gz OTFDJJDPGOUFQC-RPWUZVMVSA-N 0 0 454.636 4.539 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(I)c2C)cc1OCCCCCO ZINC001455093398 1066359547 /nfs/dbraw/zinc/35/95/47/1066359547.db2.gz MEGKYLQZMHJBKN-UHFFFAOYSA-N 0 0 453.320 4.702 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2C(C)C)c1 ZINC001361110374 1066359497 /nfs/dbraw/zinc/35/94/97/1066359497.db2.gz NMQRZRILSSMSBC-CTNGQTDRSA-N 0 0 467.639 4.670 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 ZINC001455097283 1066360069 /nfs/dbraw/zinc/36/00/69/1066360069.db2.gz HNKBJRCTUGZMQL-NRFANRHFSA-N 0 0 450.608 4.532 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001443732195 1066360246 /nfs/dbraw/zinc/36/02/46/1066360246.db2.gz MECFWXHHFSAJDY-OALUTQOASA-N 0 0 455.382 4.788 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC001361110807 1066360507 /nfs/dbraw/zinc/36/05/07/1066360507.db2.gz TVPUAHGQMULZGH-HSZRJFAPSA-N 0 0 481.685 4.872 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC001443733463 1066360762 /nfs/dbraw/zinc/36/07/62/1066360762.db2.gz WLYXRVLUYFZRLX-ZSEKCTLFSA-N 0 0 456.341 4.928 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1 ZINC001455101861 1066360880 /nfs/dbraw/zinc/36/08/80/1066360880.db2.gz YPSPGZVLQSHBET-OWWOZPERSA-N 0 0 457.615 4.684 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)c1 ZINC001443739645 1066361449 /nfs/dbraw/zinc/36/14/49/1066361449.db2.gz ZJLHSFPSJSPYPJ-OAQYLSRUSA-N 0 0 458.558 4.606 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001443736718 1066361580 /nfs/dbraw/zinc/36/15/80/1066361580.db2.gz SRNKCFRVRJZLNJ-HXUWFJFHSA-N 0 0 450.529 4.992 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001492598163 1066361786 /nfs/dbraw/zinc/36/17/86/1066361786.db2.gz KBJDBGGQVIETCC-GOSISDBHSA-N 0 0 466.548 4.680 20 0 JJADRN C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)Oc1ccc(Cl)cc1 ZINC001361111675 1066361859 /nfs/dbraw/zinc/36/18/59/1066361859.db2.gz YNDQZDKILXXNGE-JLTOFOAXSA-N 0 0 457.785 4.604 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)Oc1ccc(Cl)cc1 ZINC001361111676 1066361980 /nfs/dbraw/zinc/36/19/80/1066361980.db2.gz YNDQZDKILXXNGE-VBKZILBWSA-N 0 0 457.785 4.604 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001361111571 1066361995 /nfs/dbraw/zinc/36/19/95/1066361995.db2.gz WJYLFSAJBIKIQP-OWSXEPHWSA-N 0 0 458.986 4.622 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)s1 ZINC001455105967 1066361946 /nfs/dbraw/zinc/36/19/46/1066361946.db2.gz DMZZWZTXHIHBMF-OAHLLOKOSA-N 0 0 453.605 4.639 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361112001 1066362315 /nfs/dbraw/zinc/36/23/15/1066362315.db2.gz IJNZPJNLCFIEND-OALUTQOASA-N 0 0 462.520 4.796 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361111950 1066362462 /nfs/dbraw/zinc/36/24/62/1066362462.db2.gz GWEOXUAELDUNHH-BHDDXSALSA-N 0 0 483.657 4.872 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H]2COc3cccc(Br)c3C2)c(Br)c1 ZINC001455108918 1066362534 /nfs/dbraw/zinc/36/25/34/1066362534.db2.gz DSTNNEZFVHUXLG-AWEZNQCLSA-N 0 0 453.174 4.573 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@]34CCC[C@H]3OCC4)c2)cc1 ZINC001455110211 1066362608 /nfs/dbraw/zinc/36/26/08/1066362608.db2.gz KJSOTFVETVPGIQ-NOZRDPDXSA-N 0 0 456.608 4.580 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1cccc(C)c1 ZINC001361112342 1066362806 /nfs/dbraw/zinc/36/28/06/1066362806.db2.gz UCPKFRSGGMJVKY-UHFFFAOYSA-N 0 0 485.386 4.512 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)cn3C)n2CCc2ccncc2)c1 ZINC001361112017 1066363098 /nfs/dbraw/zinc/36/30/98/1066363098.db2.gz JCZBWPMKXQAXJV-UHFFFAOYSA-N 0 0 495.425 4.507 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760987 1066363019 /nfs/dbraw/zinc/36/30/19/1066363019.db2.gz WZIZMKKGUSSDJF-RXFWQSSRSA-N 0 0 458.606 4.703 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1 ZINC001455111775 1066363237 /nfs/dbraw/zinc/36/32/37/1066363237.db2.gz ZJCQKFVAKXDZIP-GWJBRELFSA-N 0 0 464.562 4.924 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2cccs2)C1 ZINC001546068888 1066363600 /nfs/dbraw/zinc/36/36/00/1066363600.db2.gz YJHJUWKSRUDHBF-JOCHJYFZSA-N 0 0 488.455 4.826 20 0 JJADRN CC[C@@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)C(=O)c1ccccc1 ZINC001455122638 1066363772 /nfs/dbraw/zinc/36/37/72/1066363772.db2.gz IBUNAKHMSWTAAZ-MRXNPFEDSA-N 0 0 459.365 4.973 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)cc1OCC ZINC001361112750 1066363840 /nfs/dbraw/zinc/36/38/40/1066363840.db2.gz IILGWRODXYVHTD-INIZCTEOSA-N 0 0 453.539 4.698 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361112949 1066363857 /nfs/dbraw/zinc/36/38/57/1066363857.db2.gz LEOCNQFRDGWIRT-GJZGRUSLSA-N 0 0 458.356 4.954 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ncccc2F)c1 ZINC001361112895 1066364085 /nfs/dbraw/zinc/36/40/85/1066364085.db2.gz BLGFLTOBBZMRJA-FYYLOGMGSA-N 0 0 497.615 4.633 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NCC(=O)CC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001455126254 1066364059 /nfs/dbraw/zinc/36/40/59/1066364059.db2.gz ORYQZHNDWWDQOF-GCJKJVERSA-N 0 0 450.982 4.823 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCC(=O)CC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001455126253 1066364263 /nfs/dbraw/zinc/36/42/63/1066364263.db2.gz ORYQZHNDWWDQOF-AVRDEDQJSA-N 0 0 450.982 4.823 20 0 JJADRN COc1cc2nc(NC(=O)COc3ccc4cc(Br)ccc4c3)[nH]c2cc1OC ZINC001443768570 1066364855 /nfs/dbraw/zinc/36/48/55/1066364855.db2.gz NAZXCZKITWYERG-UHFFFAOYSA-N 0 0 456.296 4.513 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC001443768621 1066364878 /nfs/dbraw/zinc/36/48/78/1066364878.db2.gz NTIHMJBJFHAFOX-LJQANCHMSA-N 0 0 453.539 4.686 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccccc1 ZINC001443766361 1066365188 /nfs/dbraw/zinc/36/51/88/1066365188.db2.gz OIOSCHSOJOYMHI-RPBOFIJWSA-N 0 0 458.558 4.948 20 0 JJADRN O=C(NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F)c1cccc(Oc2nccs2)c1 ZINC001455143487 1066365036 /nfs/dbraw/zinc/36/50/36/1066365036.db2.gz GASCRLVAYDCNAV-SSEXGKCCSA-N 0 0 455.483 4.712 20 0 JJADRN Cc1cc(C(=O)N2CC(O)(c3ccnn3C)C2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001455140077 1066365076 /nfs/dbraw/zinc/36/50/76/1066365076.db2.gz ZTJNWOOWSHJHDR-HNNXBMFYSA-N 0 0 459.377 4.552 20 0 JJADRN O=C(CCn1ccc2cc(Cl)ccc21)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001455144441 1066365148 /nfs/dbraw/zinc/36/51/48/1066365148.db2.gz ISGXSLDVXWAONT-PMERELPUSA-N 0 0 457.905 4.848 20 0 JJADRN C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC001361114049 1066365384 /nfs/dbraw/zinc/36/53/84/1066365384.db2.gz AKFIWFFYUYDEEO-GFYPRVCPSA-N 0 0 451.007 4.943 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001443769939 1066365459 /nfs/dbraw/zinc/36/54/59/1066365459.db2.gz JBYDBGXSZCLPAV-LJQANCHMSA-N 0 0 453.482 4.745 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)s2)c(F)c1 ZINC001443771548 1066366112 /nfs/dbraw/zinc/36/61/12/1066366112.db2.gz PSTNXZZGPYMJTN-CYBMUJFWSA-N 0 0 451.564 4.642 20 0 JJADRN Cc1ccn2cc(Cn3c(N(C)Cc4ccc(OC(F)F)cc4)nnc3C(C)(C)C)nc2c1 ZINC001361115216 1066366399 /nfs/dbraw/zinc/36/63/99/1066366399.db2.gz BVZSFKCNBAZCTC-UHFFFAOYSA-N 0 0 454.525 4.818 20 0 JJADRN Cc1ccn2cc(Cn3c(CC(C)C)nnc3N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)nc2c1 ZINC001361115368 1066366418 /nfs/dbraw/zinc/36/64/18/1066366418.db2.gz IFRFQBPQNUFLSR-NRFANRHFSA-N 0 0 495.672 4.564 20 0 JJADRN COC1(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CCC(F)(F)CC1 ZINC001455156513 1066366493 /nfs/dbraw/zinc/36/64/93/1066366493.db2.gz REMDSHVMXRYKMM-GOSISDBHSA-N 0 0 456.574 4.609 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3cccs3)CC2)cc1 ZINC001361115338 1066366656 /nfs/dbraw/zinc/36/66/56/1066366656.db2.gz GZNKUBSXLVLMAU-FQEVSTJZSA-N 0 0 465.667 4.787 20 0 JJADRN Cc1cc2cc(Cn3c(N4CCC[C@@H](NC(=O)C(C)(C)C)C4)nnc3C(C)(C)C)ccc2[nH]1 ZINC001361115299 1066366706 /nfs/dbraw/zinc/36/67/06/1066366706.db2.gz FXOQDFHVOXKONO-HXUWFJFHSA-N 0 0 450.631 4.545 20 0 JJADRN Cc1ccn2cc(Cn3c(N4CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)nc2c1 ZINC001361115433 1066367056 /nfs/dbraw/zinc/36/70/56/1066367056.db2.gz KFKMBGDYQQGSIX-WOJBJXKFSA-N 0 0 495.672 4.710 20 0 JJADRN Cc1ccn2cc(Cn3c(N4CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)nc2c1 ZINC001361115431 1066367100 /nfs/dbraw/zinc/36/71/00/1066367100.db2.gz KFKMBGDYQQGSIX-UXHICEINSA-N 0 0 495.672 4.710 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(O)c(C(C)C)c3)c2)cc1 ZINC001455165312 1066367168 /nfs/dbraw/zinc/36/71/68/1066367168.db2.gz IPWIXZPZLILNKT-UHFFFAOYSA-N 0 0 454.548 4.967 20 0 JJADRN Cc1nn(C2CCOCC2)cc1NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001455166152 1066367310 /nfs/dbraw/zinc/36/73/10/1066367310.db2.gz LJYAMCSTUNEJIN-UHFFFAOYSA-N 0 0 457.328 4.745 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)c(Sc2ccc(Cl)cc2)c1 ZINC001455168260 1066367361 /nfs/dbraw/zinc/36/73/61/1066367361.db2.gz SNVHLJGLDPFFCA-NRFANRHFSA-N 0 0 455.963 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)C1(C)C ZINC001455166023 1066367473 /nfs/dbraw/zinc/36/74/73/1066367473.db2.gz KQEMRCSWJWBPOJ-INIZCTEOSA-N 0 0 451.445 4.811 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)Cc3cccs3)CC2)s1 ZINC001361116420 1066367646 /nfs/dbraw/zinc/36/76/46/1066367646.db2.gz AWNNTAAFCNZBLZ-SFHVURJKSA-N 0 0 471.696 4.749 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3CCCCc3ccccc3)CC2)s1 ZINC001361116438 1066367679 /nfs/dbraw/zinc/36/76/79/1066367679.db2.gz BNEGYRMPGNGQFH-UHFFFAOYSA-N 0 0 451.640 4.757 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3)CC2)s1 ZINC001361116969 1066368051 /nfs/dbraw/zinc/36/80/51/1066368051.db2.gz VRJPVYNBAYGSIK-IBGZPJMESA-N 0 0 481.666 4.667 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)s1 ZINC001361116899 1066368132 /nfs/dbraw/zinc/36/81/32/1066368132.db2.gz SYJAGJFBFYEDOX-UHFFFAOYSA-N 0 0 476.021 4.650 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001443788048 1066368508 /nfs/dbraw/zinc/36/85/08/1066368508.db2.gz LYDTUUSOQPSQOM-VQIMIIECSA-N 0 0 451.995 4.601 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3C)CC2)s1 ZINC001361117625 1066368878 /nfs/dbraw/zinc/36/88/78/1066368878.db2.gz KEQBEYXMHZGZHX-IBGZPJMESA-N 0 0 481.666 4.946 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001546069875 1066369054 /nfs/dbraw/zinc/36/90/54/1066369054.db2.gz XYUKYBOBMSTVSE-LEWJYISDSA-N 0 0 456.583 4.842 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(C)C)CC2)s1 ZINC001361117994 1066369422 /nfs/dbraw/zinc/36/94/22/1066369422.db2.gz QMLYFLFUMBEYRO-UHFFFAOYSA-N 0 0 480.682 4.715 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@]3(C)CCCS3)CC2)s1 ZINC001361117880 1066369448 /nfs/dbraw/zinc/36/94/48/1066369448.db2.gz PXJOUZNVLUIWOL-QHCPKHFHSA-N 0 0 461.701 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001546069904 1066369637 /nfs/dbraw/zinc/36/96/37/1066369637.db2.gz YSQCWJPYNMWOHB-UHFFFAOYSA-N 0 0 456.440 4.569 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C4CCC4)n3CC(C)(C)C(F)(F)F)CC2)s1 ZINC001361118170 1066369574 /nfs/dbraw/zinc/36/95/74/1066369574.db2.gz UENDHPSULCBVQL-UHFFFAOYSA-N 0 0 469.577 4.903 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3ccc(F)cc3C)CC2)s1 ZINC001361118336 1066370029 /nfs/dbraw/zinc/37/00/29/1066370029.db2.gz XEGOEFAGIFCLFO-UHFFFAOYSA-N 0 0 469.630 4.860 20 0 JJADRN CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC001455203350 1066370237 /nfs/dbraw/zinc/37/02/37/1066370237.db2.gz ROMRTUMMVFDHCQ-QFIPXVFZSA-N 0 0 454.014 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC[C@H](c3ccccc3Cl)C2(C)C)C1 ZINC001455204814 1066370259 /nfs/dbraw/zinc/37/02/59/1066370259.db2.gz UXYVWEWVZDMGKN-IEBWSBKVSA-N 0 0 451.007 4.851 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC001443804335 1066370267 /nfs/dbraw/zinc/37/02/67/1066370267.db2.gz NHKIWHSEKLAODK-JOCHJYFZSA-N 0 0 450.514 4.928 20 0 JJADRN COC(=O)c1cc(CNC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)n(C)c1C ZINC001455207485 1066370404 /nfs/dbraw/zinc/37/04/04/1066370404.db2.gz UWHANALDGYWLSP-UHFFFAOYSA-N 0 0 457.552 4.612 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)cs2)cc1OC ZINC001361118933 1066370505 /nfs/dbraw/zinc/37/05/05/1066370505.db2.gz KMZFCCHFMNINSH-ZDUSSCGKSA-N 0 0 451.331 4.998 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)cc1Oc1ccncc1 ZINC001443812406 1066370558 /nfs/dbraw/zinc/37/05/58/1066370558.db2.gz FKQDQLUNOANTQL-JGCGQSQUSA-N 0 0 450.560 4.862 20 0 JJADRN CC[C@H](C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001361118908 1066370654 /nfs/dbraw/zinc/37/06/54/1066370654.db2.gz JXVBSBDUVISDRO-HUUCEWRRSA-N 0 0 452.729 4.501 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC001443812427 1066370727 /nfs/dbraw/zinc/37/07/27/1066370727.db2.gz FPEXLDBBHIOVMZ-WJOKGBTCSA-N 0 0 451.535 4.632 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c1 ZINC001443817259 1066371236 /nfs/dbraw/zinc/37/12/36/1066371236.db2.gz KJYPWVDFTCJVIB-MHZLTWQESA-N 0 0 450.398 4.746 20 0 JJADRN O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455218125 1066371258 /nfs/dbraw/zinc/37/12/58/1066371258.db2.gz HUPVTSIKCDSQPC-PBHICJAKSA-N 0 0 456.675 4.676 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N(Cc2cccs2)C(C)C)cc1 ZINC001361120937 1066371574 /nfs/dbraw/zinc/37/15/74/1066371574.db2.gz UEYJVTYOJQKDMY-JOCHJYFZSA-N 0 0 467.639 4.735 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001455213024 1066371595 /nfs/dbraw/zinc/37/15/95/1066371595.db2.gz MWKZPKKVCWJMBU-PKOBYXMFSA-N 0 0 452.473 4.830 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3cccc(CSC4CCOCC4)c3)c2N1 ZINC001443820243 1066371607 /nfs/dbraw/zinc/37/16/07/1066371607.db2.gz NCSXEIFANHYVKF-FZKQIMNGSA-N 0 0 454.518 4.855 20 0 JJADRN Cc1ccc(F)c(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c1Br ZINC001443820651 1066371889 /nfs/dbraw/zinc/37/18/89/1066371889.db2.gz NUDKUKDTYWHVHX-HHHXNRCGSA-N 0 0 454.361 4.577 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1 ZINC001455221580 1066372332 /nfs/dbraw/zinc/37/23/32/1066372332.db2.gz NANMHSJDOFLEPE-GOEBONIOSA-N 0 0 455.502 4.744 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC001455221852 1066372611 /nfs/dbraw/zinc/37/26/11/1066372611.db2.gz PIKRJESAOIBJDR-RBBKRZOGSA-N 0 0 458.411 4.898 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001443826107 1066372881 /nfs/dbraw/zinc/37/28/81/1066372881.db2.gz RLNJJMPKPPAEIF-JOCHJYFZSA-N 0 0 452.595 4.891 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCCC2 ZINC001455224736 1066372872 /nfs/dbraw/zinc/37/28/72/1066372872.db2.gz JUMVKRPKWKXIGD-SKRZQXANSA-N 0 0 458.599 4.791 20 0 JJADRN CC(C)C(=O)Nc1cccc(OC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001443830978 1066373355 /nfs/dbraw/zinc/37/33/55/1066373355.db2.gz DWCQMJZFKBVZQV-FQEVSTJZSA-N 0 0 452.454 4.636 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCn3cccn3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361123404 1066373437 /nfs/dbraw/zinc/37/34/37/1066373437.db2.gz ADNVCGHEAWGNND-VXKWHMMOSA-N 0 0 480.657 4.825 20 0 JJADRN CCOc1cc(C(=O)N2CCN(Cc3ccc(CC)cc3)CC2)ccc1OCc1cccnc1 ZINC001455228369 1066373476 /nfs/dbraw/zinc/37/34/76/1066373476.db2.gz UHENUKGNBJKWBG-UHFFFAOYSA-N 0 0 459.590 4.580 20 0 JJADRN Cn1[nH]c(-c2ccccc2)c2c(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)nnc1-2 ZINC001443832496 1066373527 /nfs/dbraw/zinc/37/35/27/1066373527.db2.gz LQFUIUSYXIOEQB-UHFFFAOYSA-N 0 0 450.713 4.941 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cc(Cl)c(Br)cc1F ZINC001455229754 1066373906 /nfs/dbraw/zinc/37/39/06/1066373906.db2.gz ZDHZZPPTHVKLQD-GJZGRUSLSA-N 0 0 454.645 4.506 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC001455231700 1066374189 /nfs/dbraw/zinc/37/41/89/1066374189.db2.gz ZYLYIIWTCOHIIQ-UHFFFAOYSA-N 0 0 453.505 4.632 20 0 JJADRN CCc1c(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)OC)cnn1-c1ccc(C)cc1 ZINC001443838075 1066374260 /nfs/dbraw/zinc/37/42/60/1066374260.db2.gz MYPVDSBRBKRCQU-QHCPKHFHSA-N 0 0 455.558 4.658 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1OC ZINC001443841380 1066374708 /nfs/dbraw/zinc/37/47/08/1066374708.db2.gz MWJRSZQITRENGN-YWZLYKJASA-N 0 0 458.530 4.695 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1OC ZINC001443841351 1066374727 /nfs/dbraw/zinc/37/47/27/1066374727.db2.gz MWJRSZQITRENGN-FOIQADDNSA-N 0 0 458.530 4.695 20 0 JJADRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC001443842513 1066374886 /nfs/dbraw/zinc/37/48/86/1066374886.db2.gz QMAGHNPYNQNLEM-KRWDZBQOSA-N 0 0 450.501 4.679 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(Nc2cnccn2)c1 ZINC001443842973 1066374972 /nfs/dbraw/zinc/37/49/72/1066374972.db2.gz SOVCIGZLXVXLCM-UHFFFAOYSA-N 0 0 454.530 4.950 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1ccon1 ZINC001361123757 1066374986 /nfs/dbraw/zinc/37/49/86/1066374986.db2.gz MBPSRFKNWDOHOG-UHFFFAOYSA-N 0 0 464.570 4.761 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC001443844225 1066375250 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4.503 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cnccn3)n2C[C@H]2CCCS2)c1 ZINC001361124069 1066377206 /nfs/dbraw/zinc/37/72/06/1066377206.db2.gz VYIGLEBCCDNEER-OAQYLSRUSA-N 0 0 466.655 4.653 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSCC(C)C)C1 ZINC001546070785 1066377375 /nfs/dbraw/zinc/37/73/75/1066377375.db2.gz PMBHKUYUOJJIDW-QHCPKHFHSA-N 0 0 478.732 4.644 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSCC(C)C)C1 ZINC001546070784 1066377557 /nfs/dbraw/zinc/37/75/57/1066377557.db2.gz PMBHKUYUOJJIDW-HSZRJFAPSA-N 0 0 478.732 4.644 20 0 JJADRN CN(CC(=O)N[C@@H]1CCc2cc(Br)ccc21)c1ccc(C(F)(F)F)cc1C=O ZINC001455269093 1066377567 /nfs/dbraw/zinc/37/75/67/1066377567.db2.gz YESDADMNBWVQST-QGZVFWFLSA-N 0 0 455.274 4.520 20 0 JJADRN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001443859533 1066377551 /nfs/dbraw/zinc/37/75/51/1066377551.db2.gz ANDFSPSIRUGOAQ-UHFFFAOYSA-N 0 0 452.308 4.613 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)N1CCOCC1 ZINC001361124193 1066377654 /nfs/dbraw/zinc/37/76/54/1066377654.db2.gz ZNXXWEXPZNEWJG-OAQYLSRUSA-N 0 0 481.641 4.547 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C(C)C)N2CCOCC2)c1 ZINC001361124146 1066377753 /nfs/dbraw/zinc/37/77/53/1066377753.db2.gz YJAGORLQMSAPAL-NRFANRHFSA-N 0 0 497.606 4.644 20 0 JJADRN COC(=O)c1cc(C(=O)N(C)Cc2ccc(Br)cc2Oc2ccc(C)cc2)c[nH]1 ZINC001455271401 1066378007 /nfs/dbraw/zinc/37/80/07/1066378007.db2.gz FXZRISNZQOFHRS-UHFFFAOYSA-N 0 0 457.324 4.937 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001546070808 1066378025 /nfs/dbraw/zinc/37/80/25/1066378025.db2.gz PTQHOKDAIJDISE-HSZRJFAPSA-N 0 0 474.531 4.854 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1Cl ZINC001455271037 1066378043 /nfs/dbraw/zinc/37/80/43/1066378043.db2.gz FDOPFPLUWHHCAH-UHFFFAOYSA-N 0 0 459.930 4.680 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001443866969 1066378144 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C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC001443875611 1066380078 /nfs/dbraw/zinc/38/00/78/1066380078.db2.gz IROAIRBKSBVVRV-KDOFPFPSSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(CC3CC3)C3CCCCC3)n2CC(=O)N(C)C)c1 ZINC001361125892 1066380271 /nfs/dbraw/zinc/38/02/71/1066380271.db2.gz GQDOGLFQAJNUMC-UHFFFAOYSA-N 0 0 467.658 4.926 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC001443880865 1066380397 /nfs/dbraw/zinc/38/03/97/1066380397.db2.gz ISEVIJBBPXNKST-PZJWPPBQSA-N 0 0 458.942 4.580 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)C)C3)n2CC2(C(N)=O)CCCC2)c1 ZINC001361125925 1066380659 /nfs/dbraw/zinc/38/06/59/1066380659.db2.gz HKKXFVYDZXFGGD-OAQYLSRUSA-N 0 0 467.658 4.817 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)cc1 ZINC001443884675 1066380863 /nfs/dbraw/zinc/38/08/63/1066380863.db2.gz LGSPQELXOQALBI-OUPRXKBMSA-N 0 0 451.567 4.738 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)cc1 ZINC001443884678 1066381014 /nfs/dbraw/zinc/38/10/14/1066381014.db2.gz LGSPQELXOQALBI-VXWZWFMZSA-N 0 0 451.567 4.738 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CCCC(=O)NC2CC2)c1 ZINC001361125963 1066381487 /nfs/dbraw/zinc/38/14/87/1066381487.db2.gz IDGLZXXOBZTMLU-WOJBJXKFSA-N 0 0 453.631 4.582 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([C@H]4CC4(F)F)CC3)n2CCC(=O)N(C)C)c1 ZINC001361126026 1066381827 /nfs/dbraw/zinc/38/18/27/1066381827.db2.gz JJACGJZTENKDEA-OAQYLSRUSA-N 0 0 489.611 4.639 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)CC3)n2CCN2CCOC(C)(C)C2)c1 ZINC001361126111 1066382519 /nfs/dbraw/zinc/38/25/19/1066382519.db2.gz LGJLRJWKSHPHKP-UHFFFAOYSA-N 0 0 469.674 4.636 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443896508 1066382471 /nfs/dbraw/zinc/38/24/71/1066382471.db2.gz TYBXGVLMAGCFFN-VRJYIHLMSA-N 0 0 480.024 4.619 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2C[C@]2(C)COCCO2)c1 ZINC001361126063 1066382562 /nfs/dbraw/zinc/38/25/62/1066382562.db2.gz KBQFGSCUHUVMCZ-AREMUKBSSA-N 0 0 456.631 4.721 20 0 JJADRN O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001455312248 1066382942 /nfs/dbraw/zinc/38/29/42/1066382942.db2.gz RAONRONAXYTILK-QHCPKHFHSA-N 0 0 457.313 4.746 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900545 1066383585 /nfs/dbraw/zinc/38/35/85/1066383585.db2.gz VZMAQCMDDGOIOH-KRWDZBQOSA-N 0 0 457.899 4.951 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443902883 1066383808 /nfs/dbraw/zinc/38/38/08/1066383808.db2.gz DRPRBCKGYSYYPV-RTBURBONSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 ZINC001361126433 1066384244 /nfs/dbraw/zinc/38/42/44/1066384244.db2.gz RPXSTLKUUYLFSO-QFIPXVFZSA-N 0 0 497.684 4.597 20 0 JJADRN 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Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCc2ccn(C)n2)c1 ZINC001361126654 1066385698 /nfs/dbraw/zinc/38/56/98/1066385698.db2.gz XCTUFJNBJUAQTJ-RTWAWAEBSA-N 0 0 450.631 4.890 20 0 JJADRN Cc1cc(Br)cc(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c1N ZINC001455395699 1066385894 /nfs/dbraw/zinc/38/58/94/1066385894.db2.gz JKBUILCXGXKGOK-UHFFFAOYSA-N 0 0 452.324 4.756 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2cccc(CNc3ccncn3)c2)c1 ZINC001455392326 1066386075 /nfs/dbraw/zinc/38/60/75/1066386075.db2.gz NJZQPWAROTWWMC-UHFFFAOYSA-N 0 0 451.502 4.505 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCN(C2CCC2)CC1 ZINC001443928348 1066386197 /nfs/dbraw/zinc/38/61/97/1066386197.db2.gz AEKKDMOLKUXZDI-UHFFFAOYSA-N 0 0 454.562 4.644 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCCC(F)(F)F)c1 ZINC001361126760 1066386204 /nfs/dbraw/zinc/38/62/04/1066386204.db2.gz ZZVGXBWUCARAAE-UXHICEINSA-N 0 0 493.574 4.879 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1)C(C)C ZINC001443924001 1066386479 /nfs/dbraw/zinc/38/64/79/1066386479.db2.gz GUVXWJZCRDDBNS-JTHBVZDNSA-N 0 0 450.583 4.585 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001361126954 1066386677 /nfs/dbraw/zinc/38/66/77/1066386677.db2.gz CRARCLNXXOSEFH-OAQYLSRUSA-N 0 0 488.698 4.739 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCCN2CCOC2=O)c1 ZINC001361127087 1066386841 /nfs/dbraw/zinc/38/68/41/1066386841.db2.gz DPLCSWXRCHVUHU-FQEVSTJZSA-N 0 0 469.630 4.758 20 0 JJADRN CCN(C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001443947910 1066386792 /nfs/dbraw/zinc/38/67/92/1066386792.db2.gz OXVDCTXHOHBFPA-DYESRHJHSA-N 0 0 458.400 4.770 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc21 ZINC001455402547 1066386881 /nfs/dbraw/zinc/38/68/81/1066386881.db2.gz XKGJIILIKGTCPV-ZHRRBRCNSA-N 0 0 459.377 4.760 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(c2cnn(C)c2)CC1)OC ZINC001545963298 1066387163 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4.974 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(SC)CC2)C1 ZINC001546072572 1066388854 /nfs/dbraw/zinc/38/88/54/1066388854.db2.gz HCVQMHXJKMTTQN-HSZRJFAPSA-N 0 0 463.692 4.915 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361127536 1066388861 /nfs/dbraw/zinc/38/88/61/1066388861.db2.gz LDYOFPGDNRHWQX-XZOQPEGZSA-N 0 0 495.668 4.723 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CCCS(C)(=O)=O)c1 ZINC001361127561 1066388924 /nfs/dbraw/zinc/38/89/24/1066388924.db2.gz LSLXAAFZZWEPDH-VXKWHMMOSA-N 0 0 488.698 4.740 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Nc3ncccn3)c2)c2ccccc21 ZINC001455423385 1066388989 /nfs/dbraw/zinc/38/89/89/1066388989.db2.gz DGEMKLJITMASCD-IBGZPJMESA-N 0 0 459.550 4.879 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cccc(Nc3cnccn3)c2)c2ccccc21 ZINC001455425723 1066389239 /nfs/dbraw/zinc/38/92/39/1066389239.db2.gz LYBWNEXTCISBAB-LJQANCHMSA-N 0 0 459.550 4.879 20 0 JJADRN 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ZINC001361128734 1066392545 /nfs/dbraw/zinc/39/25/45/1066392545.db2.gz DRTGXZKIMYSYKL-UHFFFAOYSA-N 0 0 456.384 4.969 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)CC2)cc1 ZINC001361128646 1066392816 /nfs/dbraw/zinc/39/28/16/1066392816.db2.gz BJIQVNYMIHDZBJ-UHFFFAOYSA-N 0 0 452.505 4.617 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC001361129202 1066393300 /nfs/dbraw/zinc/39/33/00/1066393300.db2.gz RLXHQCKKPFVSAO-GOTSBHOMSA-N 0 0 450.608 4.780 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001444000218 1066393466 /nfs/dbraw/zinc/39/34/66/1066393466.db2.gz RQSJDXLYOZRSAF-GOSISDBHSA-N 0 0 451.336 4.513 20 0 JJADRN CCOC(=O)[C@@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1 ZINC001444001974 1066393539 /nfs/dbraw/zinc/39/35/39/1066393539.db2.gz SIVNQOZDWKJKHA-OAQYLSRUSA-N 0 0 458.436 4.856 20 0 JJADRN CSc1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1-c1ccccc1 ZINC001444001959 1066393625 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LHCWOVLSUYANNB-UHFFFAOYSA-N 0 0 459.015 4.585 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001444018424 1066394774 /nfs/dbraw/zinc/39/47/74/1066394774.db2.gz CSPWFLVLMBKHGH-KRWDZBQOSA-N 0 0 456.539 4.559 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)cc2)cc1 ZINC001455468838 1066394870 /nfs/dbraw/zinc/39/48/70/1066394870.db2.gz GCAYQNVLAHYXQD-ZEQRLZLVSA-N 0 0 453.579 4.556 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2CCSC(F)(F)F)c1 ZINC001361130112 1066394936 /nfs/dbraw/zinc/39/49/36/1066394936.db2.gz JNFUXBBNTJASEG-UHFFFAOYSA-N 0 0 458.550 4.769 20 0 JJADRN Cc1nc(Br)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001361130193 1066395251 /nfs/dbraw/zinc/39/52/51/1066395251.db2.gz MLJZGHAAYWRMPT-UHFFFAOYSA-N 0 0 452.374 4.612 20 0 JJADRN CC(C)c1cc([C@H]2CCCN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)C2)[nH]n1 ZINC001455472226 1066395345 /nfs/dbraw/zinc/39/53/45/1066395345.db2.gz ZVWUMLSCWGGFSJ-QHCPKHFHSA-N 0 0 458.606 4.925 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1ccc(Cl)cc1 ZINC001444022551 1066395779 /nfs/dbraw/zinc/39/57/79/1066395779.db2.gz CCMLSCBRKYIVJH-MZTCLCMBSA-N 0 0 458.990 4.915 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccccc1Nc1ccccc1 ZINC001455474657 1066395766 /nfs/dbraw/zinc/39/57/66/1066395766.db2.gz SALLABGWFHHPRL-NRFANRHFSA-N 0 0 458.436 4.843 20 0 JJADRN O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)NCc1nc2cc(Br)cnc2[nH]1 ZINC001444031075 1066396161 /nfs/dbraw/zinc/39/61/61/1066396161.db2.gz HNQHQJYDSVPUJE-SDQBBNPISA-N 0 0 459.653 4.636 20 0 JJADRN CCc1cccc2c(CCNC(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)c[nH]c21 ZINC001444031309 1066396247 /nfs/dbraw/zinc/39/62/47/1066396247.db2.gz HDJRZUOINGXWPW-UHFFFAOYSA-N 0 0 455.484 4.549 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCCC[C@@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001444031919 1066396281 /nfs/dbraw/zinc/39/62/81/1066396281.db2.gz LSKWCRPZJZJYEI-BWKNWUBXSA-N 0 0 453.970 4.559 20 0 JJADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCCC[C@@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001444031938 1066396312 /nfs/dbraw/zinc/39/63/12/1066396312.db2.gz LSKWCRPZJZJYEI-PXDATVDWSA-N 0 0 453.970 4.559 20 0 JJADRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001455482233 1066396283 /nfs/dbraw/zinc/39/62/83/1066396283.db2.gz PHCGQKOGVZCJGE-HTAPYJJXSA-N 0 0 456.464 4.804 20 0 JJADRN Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001455482662 1066396430 /nfs/dbraw/zinc/39/64/30/1066396430.db2.gz XONXOCRVXBUQGN-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCCC[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001444031947 1066396344 /nfs/dbraw/zinc/39/63/44/1066396344.db2.gz LSKWCRPZJZJYEI-SQJMNOBHSA-N 0 0 453.970 4.559 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCCc1c[nH]c2c1cccc2CC ZINC001444032750 1066396647 /nfs/dbraw/zinc/39/66/47/1066396647.db2.gz IBLXFYIXPGZSCI-KRWDZBQOSA-N 0 0 458.649 4.754 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCCCS2)c1 ZINC001361130960 1066397093 /nfs/dbraw/zinc/39/70/93/1066397093.db2.gz TXUNORRQXRETQV-HXUWFJFHSA-N 0 0 493.668 4.962 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361131023 1066397110 /nfs/dbraw/zinc/39/71/10/1066397110.db2.gz VVPHNZUVCUUXEW-IPJJNNNSSA-N 0 0 496.574 4.729 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001361131015 1066397176 /nfs/dbraw/zinc/39/71/76/1066397176.db2.gz VRRAXMJGSMDDMD-QPPBQGQZSA-N 0 0 456.631 4.577 20 0 JJADRN COc1ccc(NC(=O)c2nc(C)c(Br)s2)cc1NC(=O)C1CCCCC1 ZINC001444056012 1066397843 /nfs/dbraw/zinc/39/78/43/1066397843.db2.gz HWLOBECNVIGHFF-UHFFFAOYSA-N 0 0 452.374 4.994 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4nccnc4C)CC3)n2CCC(C)(F)F)c1 ZINC001361131047 1066398016 /nfs/dbraw/zinc/39/80/16/1066398016.db2.gz WHSZEQRLXZOLCB-UHFFFAOYSA-N 0 0 499.610 4.759 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361131072 1066398025 /nfs/dbraw/zinc/39/80/25/1066398025.db2.gz XQTCMULMZFLRSX-OALUTQOASA-N 0 0 497.581 4.967 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001455496410 1066398107 /nfs/dbraw/zinc/39/81/07/1066398107.db2.gz QQCIJQOKNHAWEY-QFIPXVFZSA-N 0 0 452.599 4.870 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2nccs2)c1 ZINC001361131137 1066398220 /nfs/dbraw/zinc/39/82/20/1066398220.db2.gz ZPZQZILBTLJYDU-LJQANCHMSA-N 0 0 495.571 4.756 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@@H](C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361131165 1066398287 /nfs/dbraw/zinc/39/82/87/1066398287.db2.gz AQKMEVAFEFTHSG-KRWDZBQOSA-N 0 0 476.597 4.871 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2N)CC1 ZINC001444061283 1066398526 /nfs/dbraw/zinc/39/85/26/1066398526.db2.gz GDRQXQQMXZNKPQ-CYBMUJFWSA-N 0 0 456.306 4.569 20 0 JJADRN O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)c1ccc(Br)cc1Cl ZINC001455500464 1066398594 /nfs/dbraw/zinc/39/85/94/1066398594.db2.gz GLHDCALBMUDOTF-XFHMXUHZSA-N 0 0 459.565 4.645 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)CSc1nccn1-c1ccccc1C ZINC001455500349 1066398607 /nfs/dbraw/zinc/39/86/07/1066398607.db2.gz FFQJPCJAWSQYRG-NRFANRHFSA-N 0 0 453.633 4.988 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455500391 1066398820 /nfs/dbraw/zinc/39/88/20/1066398820.db2.gz BYXZQDXGLQMBLG-SFHVURJKSA-N 0 0 457.656 4.859 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1NC(=O)C1CCCCC1 ZINC001444067554 1066399071 /nfs/dbraw/zinc/39/90/71/1066399071.db2.gz ZASDWLVAEJDHTA-INIZCTEOSA-N 0 0 459.587 4.656 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)F)C2)cc1 ZINC001361131508 1066399296 /nfs/dbraw/zinc/39/92/96/1066399296.db2.gz JURGTCBDCUSETK-HKUYNNGSSA-N 0 0 454.525 4.519 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361131560 1066399373 /nfs/dbraw/zinc/39/93/73/1066399373.db2.gz KWIOPCIFGUCYCJ-ZRZAMGCNSA-N 0 0 497.684 4.695 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC001444072918 1066399394 /nfs/dbraw/zinc/39/93/94/1066399394.db2.gz XQESTGAAHAHSGT-HKBQPEDESA-N 0 0 456.637 4.608 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001444069390 1066399655 /nfs/dbraw/zinc/39/96/55/1066399655.db2.gz OUHFLSXGGFZGRM-GASCZTMLSA-N 0 0 451.539 4.643 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2CCOC2)c1 ZINC001361131650 1066400024 /nfs/dbraw/zinc/40/00/24/1066400024.db2.gz NGVSCPOEVJFQBK-REWPJTCUSA-N 0 0 458.672 4.903 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2COc2cccc(C=O)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001444075933 1066400283 /nfs/dbraw/zinc/40/02/83/1066400283.db2.gz WTZLGGRIGWVHGL-KDURUIRLSA-N 0 0 452.551 4.548 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)[C@@H](O)CCc2ccccc2)C1)C1CCCC1 ZINC001455508786 1066400307 /nfs/dbraw/zinc/40/03/07/1066400307.db2.gz HAUFVGYZNCAJTM-QTJGBDASSA-N 0 0 458.643 4.692 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC001455508058 1066400361 /nfs/dbraw/zinc/40/03/61/1066400361.db2.gz IISHAQCMMDZXMR-UHFFFAOYSA-N 0 0 453.517 4.888 20 0 JJADRN CC(C)(C)c1csc(C2CCN(C(=O)CCC(=O)c3ccc4c(c3)OCCCO4)CC2)n1 ZINC001444074374 1066400328 /nfs/dbraw/zinc/40/03/28/1066400328.db2.gz KJYMWEHMVQYZKY-UHFFFAOYSA-N 0 0 456.608 4.971 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001361131728 1066400787 /nfs/dbraw/zinc/40/07/87/1066400787.db2.gz PACFPCXNUAFDSP-OAHLLOKOSA-N 0 0 480.560 4.640 20 0 JJADRN O=C(CSCc1ccncc1)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444081183 1066400908 /nfs/dbraw/zinc/40/09/08/1066400908.db2.gz OPRHGYGBWMCNFO-UHFFFAOYSA-N 0 0 450.539 4.683 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)CC1 ZINC001444080170 1066400992 /nfs/dbraw/zinc/40/09/92/1066400992.db2.gz ZZLUYLBDUFQWRB-UHFFFAOYSA-N 0 0 455.555 4.926 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C2(c3ccccc3F)CCCC2)C[C@@H]1C(F)(F)F ZINC001455510168 1066401660 /nfs/dbraw/zinc/40/16/60/1066401660.db2.gz CUKDOKJJOPARDM-WBVHZDCISA-N 0 0 458.496 4.799 20 0 JJADRN CC(C)(C)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)CC2)n1 ZINC001444081695 1066401611 /nfs/dbraw/zinc/40/16/11/1066401611.db2.gz FVZVTRSWNCCVAQ-UHFFFAOYSA-N 0 0 454.562 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)C1 ZINC001444083358 1066401675 /nfs/dbraw/zinc/40/16/75/1066401675.db2.gz PIGQDNBVGHGBFV-AEFFLSMTSA-N 0 0 453.624 4.742 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001361132301 1066402164 /nfs/dbraw/zinc/40/21/64/1066402164.db2.gz LGSOZEMBNMTOAW-FQEVSTJZSA-N 0 0 455.555 4.846 20 0 JJADRN C=CC(=O)Nc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 ZINC001444084696 1066402258 /nfs/dbraw/zinc/40/22/58/1066402258.db2.gz UPLYSUBKXFAEIW-UHFFFAOYSA-N 0 0 458.493 4.793 20 0 JJADRN CN(C(=O)CSCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1)C1CCCCC1 ZINC001444083766 1066402323 /nfs/dbraw/zinc/40/23/23/1066402323.db2.gz QTUJXJUOROORKM-UHFFFAOYSA-N 0 0 451.702 4.671 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)n3C)CC2)cc1 ZINC001361132299 1066402289 /nfs/dbraw/zinc/40/22/89/1066402289.db2.gz KZLLQDWXUCUZTL-UHFFFAOYSA-N 0 0 452.396 4.979 20 0 JJADRN Cc1c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)sc2nccc(C)c12 ZINC001455513142 1066402263 /nfs/dbraw/zinc/40/22/63/1066402263.db2.gz MJHQLAVXNYTWAT-KBPBESRZSA-N 0 0 457.518 4.688 20 0 JJADRN O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)C[C@@H](O)c1cccc(F)c1)C2 ZINC001444084796 1066402397 /nfs/dbraw/zinc/40/23/97/1066402397.db2.gz VBWWDHMSAGZRTJ-HSZRJFAPSA-N 0 0 451.473 4.617 20 0 JJADRN COc1c(F)ccc(F)c1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444084917 1066403142 /nfs/dbraw/zinc/40/31/42/1066403142.db2.gz VJGZIHRIYLJVHU-UHFFFAOYSA-N 0 0 455.436 4.955 20 0 JJADRN C[C@H](CN(C)C(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1)C(C)(C)C ZINC001455520376 1066403305 /nfs/dbraw/zinc/40/33/05/1066403305.db2.gz BHSDIYIFKNLNPU-MRXNPFEDSA-N 0 0 452.437 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)C[C@]2(C)C1 ZINC001455519683 1066403495 /nfs/dbraw/zinc/40/34/95/1066403495.db2.gz VJAOKYSXFNIVLQ-AFMDSPMNSA-N 0 0 464.566 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@]2(C)C1 ZINC001455521461 1066403960 /nfs/dbraw/zinc/40/39/60/1066403960.db2.gz QQBDHIMDUBWPHG-RCDICMHDSA-N 0 0 465.381 4.508 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C(C)C)C1 ZINC001444092315 1066404593 /nfs/dbraw/zinc/40/45/93/1066404593.db2.gz LUBNMSKGDWKMJK-MRXNPFEDSA-N 0 0 459.616 4.662 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC001444092128 1066404895 /nfs/dbraw/zinc/40/48/95/1066404895.db2.gz LCNLMSSXAUNWER-LLVKDONJSA-N 0 0 455.809 4.646 20 0 JJADRN CSc1cc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)ccc1Br ZINC001444095194 1066405515 /nfs/dbraw/zinc/40/55/15/1066405515.db2.gz SLPBYKSMIABFMJ-CYBMUJFWSA-N 0 0 455.447 4.652 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)cc1 ZINC001361134449 1066405523 /nfs/dbraw/zinc/40/55/23/1066405523.db2.gz JTTUIDMVECYEHP-INIZCTEOSA-N 0 0 469.387 4.783 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC001444095674 1066405549 /nfs/dbraw/zinc/40/55/49/1066405549.db2.gz ASHPAKMUXRWHJI-WEZXKFLESA-N 0 0 456.608 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CSc3ccc(Br)cc3)CCC[C@@H]12 ZINC001455532976 1066405811 /nfs/dbraw/zinc/40/58/11/1066405811.db2.gz OPPXCVMBQZRCAE-DYESRHJHSA-N 0 0 469.445 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)C3(c4ccc(Br)cc4)CC3)CCC[C@@H]12 ZINC001455532616 1066405838 /nfs/dbraw/zinc/40/58/38/1066405838.db2.gz NETCVUCUXMZYLM-XMSQKQJNSA-N 0 0 463.416 4.777 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361134489 1066406256 /nfs/dbraw/zinc/40/62/56/1066406256.db2.gz KHSNNYYUPYFJOV-NRFANRHFSA-N 0 0 490.652 4.870 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001361134457 1066406326 /nfs/dbraw/zinc/40/63/26/1066406326.db2.gz JVOQZIZVDSCRGJ-OFNKIYASSA-N 0 0 465.667 4.784 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001444097454 1066406443 /nfs/dbraw/zinc/40/64/43/1066406443.db2.gz HAUVAYOORWKZDA-UVDDSOTQSA-N 0 0 459.011 4.913 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC001361134583 1066406593 /nfs/dbraw/zinc/40/65/93/1066406593.db2.gz FHRPIYGACYLOQS-GBESFXJTSA-N 0 0 469.680 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)CCC[C@@H]12 ZINC001455535517 1066406535 /nfs/dbraw/zinc/40/65/35/1066406535.db2.gz ICYPKDVAIHEBGR-IPRDPGLQSA-N 0 0 450.526 4.687 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)c2ccc(C)cc2)cs1 ZINC001361134557 1066406741 /nfs/dbraw/zinc/40/67/41/1066406741.db2.gz LGNRGUBIHOSPFX-XMSQKQJNSA-N 0 0 453.656 4.997 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001361134928 1066407602 /nfs/dbraw/zinc/40/76/02/1066407602.db2.gz OGAAAWKGCKQVJO-NVXWUHKLSA-N 0 0 488.455 4.583 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](C)c2ccc(C)cc2)n1 ZINC001361134997 1066407615 /nfs/dbraw/zinc/40/76/15/1066407615.db2.gz JIHXXMXDAFVRDD-KRWDZBQOSA-N 0 0 458.532 4.951 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(C)cc1 ZINC001361134832 1066407630 /nfs/dbraw/zinc/40/76/30/1066407630.db2.gz IAMWOKOXAQYOIH-DFBJGRDBSA-N 0 0 469.655 4.832 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001444107681 1066407739 /nfs/dbraw/zinc/40/77/39/1066407739.db2.gz AKHMAZUQDUCNIS-UGDMGKLASA-N 0 0 451.569 4.654 20 0 JJADRN C[C@@H](NC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2)c1cc(Cl)cc(Cl)c1F ZINC001455542250 1066407797 /nfs/dbraw/zinc/40/77/97/1066407797.db2.gz AFBQCVVHJJEHJC-SNVBAGLBSA-N 0 0 457.333 4.640 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N(C)C[C@H](C)c2ccccc2)N2CCOCC2)o1 ZINC001361134778 1066407732 /nfs/dbraw/zinc/40/77/32/1066407732.db2.gz HDXNNPZCAWAWRJ-REWPJTCUSA-N 0 0 451.615 4.616 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134724 1066407781 /nfs/dbraw/zinc/40/77/81/1066407781.db2.gz MPOLYQFTTOZQIO-UNMCSNQZSA-N 0 0 491.640 4.683 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3CCS[C@H](C)[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361135037 1066408481 /nfs/dbraw/zinc/40/84/81/1066408481.db2.gz KALYHUATNILKGW-QTDDQOEGSA-N 0 0 458.672 4.761 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001444117413 1066408742 /nfs/dbraw/zinc/40/87/42/1066408742.db2.gz FNCQANWHNKUCKC-BEFAXECRSA-N 0 0 453.576 4.993 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CC(C)(C)C)cc1 ZINC001361135294 1066409238 /nfs/dbraw/zinc/40/92/38/1066409238.db2.gz QYZSPXUQEDJWCK-LJQANCHMSA-N 0 0 468.671 4.833 20 0 JJADRN O=C(C[C@@H]1CCc2sccc2C1=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001444124636 1066409336 /nfs/dbraw/zinc/40/93/36/1066409336.db2.gz VQFQYFYDXHRMAE-IBGZPJMESA-N 0 0 453.585 4.637 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1)OCC3 ZINC001455545505 1066409588 /nfs/dbraw/zinc/40/95/88/1066409588.db2.gz NDTKCOWIGTVDCD-ICPLQIHGSA-N 0 0 452.517 4.915 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Br)C[C@H]1C1CC1 ZINC001455558807 1066410408 /nfs/dbraw/zinc/41/04/08/1066410408.db2.gz IGTOEIIIYNYBCS-LSDHHAIUSA-N 0 0 462.306 4.908 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001455558073 1066410432 /nfs/dbraw/zinc/41/04/32/1066410432.db2.gz FHLMNPMNYZOMAE-VBNZEHGJSA-N 0 0 472.807 4.696 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 ZINC001444129225 1066410803 /nfs/dbraw/zinc/41/08/03/1066410803.db2.gz HIIVULMNQPIBAR-UHFFFAOYSA-N 0 0 459.424 4.660 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)c1 ZINC001455561751 1066410970 /nfs/dbraw/zinc/41/09/70/1066410970.db2.gz QQPZIWXLRLBHPU-UHFFFAOYSA-N 0 0 452.146 4.940 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)CCCOC1 ZINC001361137066 1066411695 /nfs/dbraw/zinc/41/16/95/1066411695.db2.gz ZWTGAFFAQBRKKN-AREMUKBSSA-N 0 0 454.542 4.703 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 ZINC001444132645 1066411645 /nfs/dbraw/zinc/41/16/45/1066411645.db2.gz FDDLDSPEEZPKFH-UHFFFAOYSA-N 0 0 451.371 4.980 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N(Cc2cccc(F)c2)C(C)C)N2CCOCC2)o1 ZINC001361136994 1066411864 /nfs/dbraw/zinc/41/18/64/1066411864.db2.gz WEGDNHJEKUSSSI-QHCPKHFHSA-N 0 0 469.605 4.931 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCO[C@@H](C)C2)cc1 ZINC001361136841 1066411883 /nfs/dbraw/zinc/41/18/83/1066411883.db2.gz UXKVQSQZBRVDML-SKWRMQMOSA-N 0 0 483.657 4.776 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361136774 1066411890 /nfs/dbraw/zinc/41/18/90/1066411890.db2.gz ZJGPXYYZTSUIRE-KCZVDYSFSA-N 0 0 491.640 4.587 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)c2ccc(C)cc2)n1 ZINC001361137154 1066412316 /nfs/dbraw/zinc/41/23/16/1066412316.db2.gz XVMRANGKFBACRB-SFHVURJKSA-N 0 0 464.017 4.937 20 0 JJADRN Cc1ccccc1C1=NO[C@@H](C(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001455584207 1066412486 /nfs/dbraw/zinc/41/24/86/1066412486.db2.gz FYQOLXHYBDSMEF-HSZRJFAPSA-N 0 0 457.615 4.812 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361137238 1066412406 /nfs/dbraw/zinc/41/24/06/1066412406.db2.gz ZJWDSQLORIGKJO-DWACAAAGSA-N 0 0 492.668 4.981 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ncccc2-c2ccccn2)cc1 ZINC001361137416 1066413036 /nfs/dbraw/zinc/41/30/36/1066413036.db2.gz BGRBUKQNIIJYIC-UHFFFAOYSA-N 0 0 459.527 4.982 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455584518 1066413309 /nfs/dbraw/zinc/41/33/09/1066413309.db2.gz IAFHTWHOQCBFGI-UHFFFAOYSA-N 0 0 456.587 4.982 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cnc(N(C)C)c(Cl)c2)cc1 ZINC001361138388 1066413701 /nfs/dbraw/zinc/41/37/01/1066413701.db2.gz PIEJWKVXWMAARG-UHFFFAOYSA-N 0 0 459.955 4.639 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)cc1C ZINC001444140959 1066414687 /nfs/dbraw/zinc/41/46/87/1066414687.db2.gz YBZVAGLKQQDFOE-UHFFFAOYSA-N 0 0 457.578 4.597 20 0 JJADRN COCCOc1cc(C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)nc2ccccc21 ZINC001455620518 1066415858 /nfs/dbraw/zinc/41/58/58/1066415858.db2.gz WDGSQDZQDFNVID-UHFFFAOYSA-N 0 0 455.486 4.998 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)s1 ZINC001361139879 1066416349 /nfs/dbraw/zinc/41/63/49/1066416349.db2.gz QXGPHHHWHHBESM-QHCPKHFHSA-N 0 0 482.698 4.650 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545965047 1066417207 /nfs/dbraw/zinc/41/72/07/1066417207.db2.gz ORLMRDGDFZNFJP-JQHSSLGASA-N 0 0 461.010 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc3cc(NC(=O)c4ccncc4Cl)ccc3[nH]2)CC1 ZINC001455628460 1066417310 /nfs/dbraw/zinc/41/73/10/1066417310.db2.gz RVSIZYBDHUJHKL-UHFFFAOYSA-N 0 0 455.946 4.978 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361140581 1066417867 /nfs/dbraw/zinc/41/78/67/1066417867.db2.gz DFCOCNOFRXYZRY-JOCHJYFZSA-N 0 0 484.689 4.894 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)n2)c1 ZINC001361140557 1066417928 /nfs/dbraw/zinc/41/79/28/1066417928.db2.gz BFWIRFNHQJMTLC-OAHLLOKOSA-N 0 0 452.511 4.512 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)cc1 ZINC001361140533 1066417938 /nfs/dbraw/zinc/41/79/38/1066417938.db2.gz AVSKEWODBXMJKK-ORYQWCPZSA-N 0 0 470.953 4.777 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)c1 ZINC001361140458 1066418076 /nfs/dbraw/zinc/41/80/76/1066418076.db2.gz BHTATULYQOCAKQ-UHFFFAOYSA-N 0 0 470.662 4.648 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001361140636 1066418660 /nfs/dbraw/zinc/41/86/60/1066418660.db2.gz CGRBRPPTPYMAFP-KDURUIRLSA-N 0 0 454.567 4.886 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(CSCc2ccccc2)c1 ZINC001444155991 1066420198 /nfs/dbraw/zinc/42/01/98/1066420198.db2.gz DEORQKDEUAJOQX-UHFFFAOYSA-N 0 0 459.365 4.844 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)C3(c4cc(C)cc(C)c4)CC3)c2)cc1 ZINC001444156624 1066420344 /nfs/dbraw/zinc/42/03/44/1066420344.db2.gz ZDQXXMDYHKHVJO-UHFFFAOYSA-N 0 0 458.558 4.791 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2oncc2C1)NC(=O)OC(C)(C)C ZINC001545965299 1066420364 /nfs/dbraw/zinc/42/03/64/1066420364.db2.gz VCYOFWKPHCJHII-MRXNPFEDSA-N 0 0 490.967 4.592 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CN2Cc3ccccc3OC2=O)cc1 ZINC001361141234 1066420321 /nfs/dbraw/zinc/42/03/21/1066420321.db2.gz KTHSOAFAYYMZLG-UHFFFAOYSA-N 0 0 450.878 4.537 20 0 JJADRN O=C(c1cccc(OCc2cccnc2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455651372 1066420272 /nfs/dbraw/zinc/42/02/72/1066420272.db2.gz XKBOEWSSYUROLQ-UHFFFAOYSA-N 0 0 457.452 4.758 20 0 JJADRN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1nc(-c2cccc(F)c2)no1 ZINC001361141506 1066420960 /nfs/dbraw/zinc/42/09/60/1066420960.db2.gz NUYNMGQYYBBSPI-JTQLQIEISA-N 0 0 454.683 4.548 20 0 JJADRN CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001455668787 1066421788 /nfs/dbraw/zinc/42/17/88/1066421788.db2.gz ZDWMJFVWVDUJCO-RTWAWAEBSA-N 0 0 452.636 4.678 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4ncc(Br)cn4)C3)o2)cc1 ZINC001455665379 1066421963 /nfs/dbraw/zinc/42/19/63/1066421963.db2.gz NUZAAFCVARCFSL-QGZVFWFLSA-N 0 0 454.324 4.722 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001361141727 1066421927 /nfs/dbraw/zinc/42/19/27/1066421927.db2.gz RJWNQHLWIUDBAM-YJBOKZPZSA-N 0 0 452.523 4.558 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCc3nccc(C(F)(F)F)n3)CC2)c1 ZINC001361141862 1066422442 /nfs/dbraw/zinc/42/24/42/1066422442.db2.gz ROSKPMFOTUHNTN-UHFFFAOYSA-N 0 0 487.574 4.571 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC001455672429 1066422596 /nfs/dbraw/zinc/42/25/96/1066422596.db2.gz DLAIMENGZWCCIH-AWEZNQCLSA-N 0 0 453.465 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC001444162664 1066422721 /nfs/dbraw/zinc/42/27/21/1066422721.db2.gz CZAPJUZIPUCNOS-UHFFFAOYSA-N 0 0 452.555 4.519 20 0 JJADRN C[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1nc(-c2cccc(F)c2)no1 ZINC001361142169 1066423533 /nfs/dbraw/zinc/42/35/33/1066423533.db2.gz ZGVDSZSKUQZVRR-ZDUSSCGKSA-N 0 0 456.930 4.996 20 0 JJADRN Cc1cccc(-c2noc(CC3CCN(C(=O)CCCOc4ccccc4Cl)CC3)n2)n1 ZINC001455680908 1066423631 /nfs/dbraw/zinc/42/36/31/1066423631.db2.gz WWQKNVSDPGXGKF-UHFFFAOYSA-N 0 0 454.958 4.734 20 0 JJADRN CCOc1cccnc1N1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC001455690755 1066424239 /nfs/dbraw/zinc/42/42/39/1066424239.db2.gz XRJGCWAFFYNSBC-UHFFFAOYSA-N 0 0 451.954 4.675 20 0 JJADRN CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001455683078 1066424291 /nfs/dbraw/zinc/42/42/91/1066424291.db2.gz WHWYTRPYZOQOSS-IBGZPJMESA-N 0 0 450.505 4.949 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001546075085 1066424319 /nfs/dbraw/zinc/42/43/19/1066424319.db2.gz HDEMMLAWLYLJDD-DEOSSOPVSA-N 0 0 455.990 4.609 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1 ZINC001444168607 1066424622 /nfs/dbraw/zinc/42/46/22/1066424622.db2.gz GSFFMXISDQUIQI-UHFFFAOYSA-N 0 0 459.542 4.796 20 0 JJADRN C[C@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1ccc(F)cc1F ZINC001361143167 1066424764 /nfs/dbraw/zinc/42/47/64/1066424764.db2.gz NBXIEAFGYLCHPH-SNVBAGLBSA-N 0 0 456.312 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)C1 ZINC001361143318 1066424869 /nfs/dbraw/zinc/42/48/69/1066424869.db2.gz PKCZNEGNGPNRJS-SFHVURJKSA-N 0 0 456.505 4.617 20 0 JJADRN C[C@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001444171405 1066425398 /nfs/dbraw/zinc/42/53/98/1066425398.db2.gz JJFIRFYUJJJQEO-HNNXBMFYSA-N 0 0 456.468 4.903 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455713443 1066425485 /nfs/dbraw/zinc/42/54/85/1066425485.db2.gz BQNHNZFUHQLWHE-BZNIZROVSA-N 0 0 452.349 4.629 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCNC(=O)c2ccco2)c1 ZINC001361143943 1066425648 /nfs/dbraw/zinc/42/56/48/1066425648.db2.gz AUYVDXXDXJMKGM-NQIIRXRSSA-N 0 0 465.598 4.512 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2CCNC(=O)c2cccs2)c1 ZINC001361144234 1066426250 /nfs/dbraw/zinc/42/62/50/1066426250.db2.gz FFEFDBYMNVJSOZ-LJQANCHMSA-N 0 0 479.606 4.756 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC001444176637 1066426326 /nfs/dbraw/zinc/42/63/26/1066426326.db2.gz ZYZAGHLTYUHLQQ-INIZCTEOSA-N 0 0 453.995 4.808 20 0 JJADRN O=C(CNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCOc2ccccc21 ZINC001455728819 1066427479 /nfs/dbraw/zinc/42/74/79/1066427479.db2.gz ADFZPVFZYMZMDD-UHFFFAOYSA-N 0 0 454.857 4.729 20 0 JJADRN COC(=O)CCc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1 ZINC001455725239 1066427553 /nfs/dbraw/zinc/42/75/53/1066427553.db2.gz RSYNUENQCNPLSI-UHFFFAOYSA-N 0 0 458.518 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC001444182115 1066427503 /nfs/dbraw/zinc/42/75/03/1066427503.db2.gz WFKVJXMRVAWXAV-JOCHJYFZSA-N 0 0 451.567 4.593 20 0 JJADRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001444195903 1066427555 /nfs/dbraw/zinc/42/75/55/1066427555.db2.gz LZCAOOGLDVMJGT-NVXWUHKLSA-N 0 0 451.995 4.842 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC001444189209 1066427586 /nfs/dbraw/zinc/42/75/86/1066427586.db2.gz WLPNRJKAPDZVPF-KRWDZBQOSA-N 0 0 458.967 4.533 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@]2(O)CCSC2)c1 ZINC001361145452 1066427891 /nfs/dbraw/zinc/42/78/91/1066427891.db2.gz YHRONZIQMCAELZ-FDDCHVKYSA-N 0 0 458.653 4.601 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145367 1066428128 /nfs/dbraw/zinc/42/81/28/1066428128.db2.gz WLUSABMOVAOANT-HXUWFJFHSA-N 0 0 486.638 4.622 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361145549 1066428750 /nfs/dbraw/zinc/42/87/50/1066428750.db2.gz ALZRCBPJEOICFF-DUTUXMCTSA-N 0 0 489.711 4.718 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361145596 1066428821 /nfs/dbraw/zinc/42/88/21/1066428821.db2.gz BXKXCCCTGWNDDY-UHFFFAOYSA-N 0 0 455.647 4.795 20 0 JJADRN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001455768500 1066428950 /nfs/dbraw/zinc/42/89/50/1066428950.db2.gz WVTGILPTPLPAMP-RYQLBKOJSA-N 0 0 454.924 4.989 20 0 JJADRN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001455767022 1066429073 /nfs/dbraw/zinc/42/90/73/1066429073.db2.gz KGZPGJJSTMPTOA-KRWDZBQOSA-N 0 0 452.521 4.518 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546075869 1066429162 /nfs/dbraw/zinc/42/91/62/1066429162.db2.gz WXJTZWFQTSWPBN-JOCHJYFZSA-N 0 0 495.500 4.694 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001546075935 1066429960 /nfs/dbraw/zinc/42/99/60/1066429960.db2.gz YIVZYPJBFUOYOE-NRFANRHFSA-N 0 0 455.594 4.831 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCCN3Cc3cccnc3)s2)cc1 ZINC001444212542 1066429922 /nfs/dbraw/zinc/42/99/22/1066429922.db2.gz FVRHZGHZCUHQLR-VGOFRKELSA-N 0 0 450.608 4.754 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCO[C@H]2CCCC[C@@H]2C)cnn1C ZINC001361145879 1066430178 /nfs/dbraw/zinc/43/01/78/1066430178.db2.gz LTFXGAKQBDPOJQ-RDPSFJRHSA-N 0 0 480.657 4.748 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](CC3CC3)c3ccccc3)cc2)cc1 ZINC001444211563 1066430105 /nfs/dbraw/zinc/43/01/05/1066430105.db2.gz RPGDUZWJKIKYQG-DEOSSOPVSA-N 0 0 450.560 4.767 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001444239027 1066432405 /nfs/dbraw/zinc/43/24/05/1066432405.db2.gz LKXLQDOIJMCOJT-CYBMUJFWSA-N 0 0 455.386 4.720 20 0 JJADRN C[C@@H](CNC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)CN(C)C(=O)OC(C)(C)C ZINC001444242327 1066432425 /nfs/dbraw/zinc/43/24/25/1066432425.db2.gz QDORYPJBHXXTAB-KRWDZBQOSA-N 0 0 454.596 4.834 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c12 ZINC001444243211 1066432844 /nfs/dbraw/zinc/43/28/44/1066432844.db2.gz TYYDERPQAJFGSQ-OAHLLOKOSA-N 0 0 456.543 4.668 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(C)on1)NC(=O)OC(C)(C)C ZINC001545966375 1066432888 /nfs/dbraw/zinc/43/28/88/1066432888.db2.gz CVFOZSKKVHYAAF-LJQANCHMSA-N 0 0 491.596 4.729 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2CCC(C)(O)CC2)s1 ZINC001455798936 1066432891 /nfs/dbraw/zinc/43/28/91/1066432891.db2.gz CGOWLRVIKPQADX-UHFFFAOYSA-N 0 0 451.592 4.915 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)c1 ZINC001361148116 1066432932 /nfs/dbraw/zinc/43/29/32/1066432932.db2.gz AFRFWQCHECKALZ-HXUWFJFHSA-N 0 0 483.682 4.943 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2ccon2)s1 ZINC001361148180 1066433613 /nfs/dbraw/zinc/43/36/13/1066433613.db2.gz CNNPSVGFSIIZOZ-QGZVFWFLSA-N 0 0 452.584 4.667 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001444246624 1066433966 /nfs/dbraw/zinc/43/39/66/1066433966.db2.gz FXFNKQQCBQRXRJ-OFNKIYASSA-N 0 0 452.599 4.550 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccon3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361148347 1066434256 /nfs/dbraw/zinc/43/42/56/1066434256.db2.gz IATPHSILQIVSMB-UHFFFAOYSA-N 0 0 489.624 4.819 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001455805477 1066434261 /nfs/dbraw/zinc/43/42/61/1066434261.db2.gz CRGSLQPNEOCHMA-GOSISDBHSA-N 0 0 452.551 4.508 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)C2(c3cccc(Br)c3)CCCC2)CCC1 ZINC001546076476 1066434397 /nfs/dbraw/zinc/43/43/97/1066434397.db2.gz QIEUZJYSIIKHDB-UHFFFAOYSA-N 0 0 451.405 4.825 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCOc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444250513 1066435385 /nfs/dbraw/zinc/43/53/85/1066435385.db2.gz XUCDHSUONORUDY-VWLOTQADSA-N 0 0 455.551 4.521 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2CC(C)(C)c2ccccn2)c1 ZINC001361148671 1066435780 /nfs/dbraw/zinc/43/57/80/1066435780.db2.gz RTEQSGQYNHNEGL-UHFFFAOYSA-N 0 0 462.623 4.940 20 0 JJADRN COc1ccc(C(=O)C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc1Cl ZINC001455811442 1066436015 /nfs/dbraw/zinc/43/60/15/1066436015.db2.gz YGOZKTIZUHLMFD-MRXNPFEDSA-N 0 0 457.954 4.859 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361148720 1066436843 /nfs/dbraw/zinc/43/68/43/1066436843.db2.gz ULFNOUNCPSCOID-GOTSBHOMSA-N 0 0 456.631 4.829 20 0 JJADRN CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1nc(C)cs1 ZINC001444257595 1066436923 /nfs/dbraw/zinc/43/69/23/1066436923.db2.gz DLQHRCCANMITED-HSZRJFAPSA-N 0 0 457.621 4.924 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCSC(C)C)c1 ZINC001361148839 1066437380 /nfs/dbraw/zinc/43/73/80/1066437380.db2.gz ZAHFBJDEXFDZTK-UHFFFAOYSA-N 0 0 463.051 4.639 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361148801 1066437490 /nfs/dbraw/zinc/43/74/90/1066437490.db2.gz XBZPGEFXYYAJTI-HXUWFJFHSA-N 0 0 465.564 4.761 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001361148779 1066437499 /nfs/dbraw/zinc/43/74/99/1066437499.db2.gz WDZYRYQVBKFIDR-UYAOXDASSA-N 0 0 455.628 4.515 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCn3cccn3)n2C[C@@H]2CCCCC2(F)F)c1 ZINC001361148958 1066438107 /nfs/dbraw/zinc/43/81/07/1066438107.db2.gz CVBLHTKLHYMXMR-FQEVSTJZSA-N 0 0 458.557 4.632 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361149036 1066438155 /nfs/dbraw/zinc/43/81/55/1066438155.db2.gz GDIXGQANKFBRPC-FGZHOGPDSA-N 0 0 485.673 4.672 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3CCOCC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361148946 1066438215 /nfs/dbraw/zinc/43/82/15/1066438215.db2.gz CHWLUNUKVGDQSD-SFTDATJTSA-N 0 0 495.590 4.536 20 0 JJADRN COc1ccccc1-n1c(NC(=O)c2cc(Br)cc(F)c2N)nc2ccccc21 ZINC001444265109 1066438443 /nfs/dbraw/zinc/43/84/43/1066438443.db2.gz LIZRDILESMKDJD-UHFFFAOYSA-N 0 0 455.287 4.770 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)F)n2Cc2ccc(N3CCCC3)nc2)c1 ZINC001361149118 1066438592 /nfs/dbraw/zinc/43/85/92/1066438592.db2.gz JAQCSRVFUPLFPN-UHFFFAOYSA-N 0 0 470.568 4.609 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC001455825658 1066438863 /nfs/dbraw/zinc/43/88/63/1066438863.db2.gz WANPINLZLNELBY-COCCGSRQSA-N 0 0 453.391 4.816 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2CC[C@@H]2COCCO2)c1 ZINC001361149266 1066439359 /nfs/dbraw/zinc/43/93/59/1066439359.db2.gz OYKVCFGDTRGIDN-HSZRJFAPSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(N3CCCC3)nc2)c1 ZINC001361149269 1066439385 /nfs/dbraw/zinc/43/93/85/1066439385.db2.gz OZWIGACXXUZHIY-UHFFFAOYSA-N 0 0 488.558 4.906 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)c3ccc(F)cc3)c2)cc1 ZINC001455830894 1066439677 /nfs/dbraw/zinc/43/96/77/1066439677.db2.gz HLLCIISJJXIKRO-UHFFFAOYSA-N 0 0 456.539 4.690 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC001444268517 1066439796 /nfs/dbraw/zinc/43/97/96/1066439796.db2.gz LVIZKLJGXXATRB-OAQYLSRUSA-N 0 0 455.352 4.889 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ncc(C(C)C)s1 ZINC001444270060 1066440362 /nfs/dbraw/zinc/44/03/62/1066440362.db2.gz SVNLGBKEGAUQSF-OAHLLOKOSA-N 0 0 453.406 4.636 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CCCCC1 ZINC001444270291 1066440373 /nfs/dbraw/zinc/44/03/73/1066440373.db2.gz YWTPWOZTTGQFKD-UHFFFAOYSA-N 0 0 456.974 4.941 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001455839309 1066440407 /nfs/dbraw/zinc/44/04/07/1066440407.db2.gz KLVVHBIWTAPWOF-INIZCTEOSA-N 0 0 453.322 4.770 20 0 JJADRN O=C(CCS(=O)(=O)C1CCCC1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001361150068 1066440827 /nfs/dbraw/zinc/44/08/27/1066440827.db2.gz RVFGOPQDMXPWKV-UHFFFAOYSA-N 0 0 456.446 4.515 20 0 JJADRN Cn1c2ccc(F)cc2nc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001361150399 1066440837 /nfs/dbraw/zinc/44/08/37/1066440837.db2.gz DQTRWCMQYPLPDF-LJQANCHMSA-N 0 0 450.901 4.866 20 0 JJADRN CCCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)n[nH]1 ZINC001444272240 1066441261 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Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)cc1Cl ZINC001444356362 1066453974 /nfs/dbraw/zinc/45/39/74/1066453974.db2.gz HSJPPKKSVMWWFM-OAQYLSRUSA-N 0 0 456.015 4.751 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3OCC3CC3)c2)c1 ZINC001444356043 1066453982 /nfs/dbraw/zinc/45/39/82/1066453982.db2.gz ULEHVORSDKAJNK-UHFFFAOYSA-N 0 0 454.523 4.976 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2CCc2ccc(Cl)s2)c1 ZINC001361155463 1066455212 /nfs/dbraw/zinc/45/52/12/1066455212.db2.gz UOBPHBOHZBQZNK-UHFFFAOYSA-N 0 0 461.031 4.640 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001444362182 1066455347 /nfs/dbraw/zinc/45/53/47/1066455347.db2.gz QKBVAYWJLOQXGP-INIZCTEOSA-N 0 0 450.967 4.946 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCC(F)(F)F)c1 ZINC001361155749 1066455671 /nfs/dbraw/zinc/45/56/71/1066455671.db2.gz FZSWFVIXJAPOMB-LJQANCHMSA-N 0 0 481.563 4.557 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CC1 ZINC001455936736 1066455757 /nfs/dbraw/zinc/45/57/57/1066455757.db2.gz ATBTWZLLFALWJV-GOSISDBHSA-N 0 0 458.599 4.889 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001455936395 1066455834 /nfs/dbraw/zinc/45/58/34/1066455834.db2.gz URESHQCKCKZYMB-YKSBVNFPSA-N 0 0 452.595 4.912 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CC=CCC2)c1 ZINC001361155931 1066456953 /nfs/dbraw/zinc/45/69/53/1066456953.db2.gz JDPUKGQCHADNDB-GOTSBHOMSA-N 0 0 465.642 4.571 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cnn2cc(C)cnc12 ZINC001444391076 1066457396 /nfs/dbraw/zinc/45/73/96/1066457396.db2.gz MFDHLOJHNXLPMW-LBPRGKRZSA-N 0 0 456.369 4.723 20 0 JJADRN Cc1sc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)nc1-c1ccccc1 ZINC001444391947 1066457471 /nfs/dbraw/zinc/45/74/71/1066457471.db2.gz SNGRXWPROAPHLZ-INIZCTEOSA-N 0 0 457.958 4.623 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCCCCO)C2)n1 ZINC001361156116 1066457599 /nfs/dbraw/zinc/45/75/99/1066457599.db2.gz OBJHVQFOKSOJPF-NRFANRHFSA-N 0 0 469.655 4.785 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156215 1066457641 /nfs/dbraw/zinc/45/76/41/1066457641.db2.gz QIGKMXSADOCBDT-GHTZIAJQSA-N 0 0 479.591 4.985 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 ZINC001455946784 1066457681 /nfs/dbraw/zinc/45/76/81/1066457681.db2.gz BXGUEUBTCAHWOV-OPAMFIHVSA-N 0 0 458.521 4.712 20 0 JJADRN Cn1cc(I)c(C(=O)N(Cc2cccc3ccccc32)C2CCCC2)n1 ZINC001455946389 1066457723 /nfs/dbraw/zinc/45/77/23/1066457723.db2.gz BPDRWVQHYPLURF-UHFFFAOYSA-N 0 0 459.331 4.763 20 0 JJADRN CCCCN(C)c1ccc(C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455947756 1066457737 /nfs/dbraw/zinc/45/77/37/1066457737.db2.gz BTFXAYDSIWHMOW-QFIPXVFZSA-N 0 0 457.537 4.985 20 0 JJADRN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001444398007 1066458148 /nfs/dbraw/zinc/45/81/48/1066458148.db2.gz ZTORKXJPJIEMCT-UHFFFAOYSA-N 0 0 450.438 4.658 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361156278 1066458212 /nfs/dbraw/zinc/45/82/12/1066458212.db2.gz RPRPWCICXGBMNV-JXALWOEJSA-N 0 0 496.574 4.573 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361156261 1066458263 /nfs/dbraw/zinc/45/82/63/1066458263.db2.gz RBTXCHAGPXRZJU-GPJFCIFZSA-N 0 0 493.574 4.544 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1)c1ccccc1 ZINC001444400333 1066458302 /nfs/dbraw/zinc/45/83/02/1066458302.db2.gz FKFXDJJBKYQRIL-UHFFFAOYSA-N 0 0 451.567 4.529 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455951820 1066458766 /nfs/dbraw/zinc/45/87/66/1066458766.db2.gz JLAPVQAMBNAWIE-AOMKIAJQSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC[C@H]2CCOC2)c1 ZINC001361156404 1066458849 /nfs/dbraw/zinc/45/88/49/1066458849.db2.gz USFKMUPQUACCSA-RTWAWAEBSA-N 0 0 496.574 4.696 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001444404935 1066458870 /nfs/dbraw/zinc/45/88/70/1066458870.db2.gz IYLLQULNZWIAIO-CYBMUJFWSA-N 0 0 450.841 4.505 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(F)(F)F ZINC001455951358 1066458917 /nfs/dbraw/zinc/45/89/17/1066458917.db2.gz IYNDFEATYGQGBB-NMNUPHIUSA-N 0 0 452.517 4.729 20 0 JJADRN CC(C)(C(=O)N1CCN(c2ccc3ccccc3n2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001444407672 1066459208 /nfs/dbraw/zinc/45/92/08/1066459208.db2.gz VIGZUDUWNYGFEJ-JOCHJYFZSA-N 0 0 458.389 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001455953466 1066459501 /nfs/dbraw/zinc/45/95/01/1066459501.db2.gz MBBYETGIQDOROK-QGZVFWFLSA-N 0 0 456.839 4.880 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC001361157327 1066459803 /nfs/dbraw/zinc/45/98/03/1066459803.db2.gz CANGSYIZPQXSPS-CQSZACIVSA-N 0 0 457.518 4.938 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)O[C@@H](C)c2nc3ccc(Cl)cc3n2C)cs1 ZINC001361156772 1066460003 /nfs/dbraw/zinc/46/00/03/1066460003.db2.gz FCNSVOIYQDZPSZ-LBPRGKRZSA-N 0 0 458.927 4.684 20 0 JJADRN CC(C)(C)c1cc(C(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)nc2ncnn21 ZINC001361156962 1066460033 /nfs/dbraw/zinc/46/00/33/1066460033.db2.gz KMQAPRQMBYLEHF-AWEZNQCLSA-N 0 0 457.250 4.645 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC001361157665 1066460538 /nfs/dbraw/zinc/46/05/38/1066460538.db2.gz VRVZHQXGQNCOPT-QWHCGFSZSA-N 0 0 456.955 4.802 20 0 JJADRN C[C@@H](OC(=O)c1ccc(I)cc1F)c1nc2cc(Cl)ccc2n1C ZINC001361157711 1066460553 /nfs/dbraw/zinc/46/05/53/1066460553.db2.gz WFNFWRDVQCRZFW-SECBINFHSA-N 0 0 458.658 4.888 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc2cc(Cl)ccc2n1C ZINC001361157366 1066460630 /nfs/dbraw/zinc/46/06/30/1066460630.db2.gz QZFAETAMUMZHNL-OCCSQVGLSA-N 0 0 457.905 4.723 20 0 JJADRN O=C(Cc1csc2ccc(Cl)cc12)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001455959704 1066460674 /nfs/dbraw/zinc/46/06/74/1066460674.db2.gz IWRIPFUDZMDUOP-UHFFFAOYSA-N 0 0 451.350 4.874 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccccc3Oc3cccc(C)c3)cn2)cc1 ZINC001455958046 1066460730 /nfs/dbraw/zinc/46/07/30/1066460730.db2.gz WHRSNIZPFRERRI-UHFFFAOYSA-N 0 0 456.502 4.883 20 0 JJADRN COc1cc(C)cnc1C(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC001455957100 1066460739 /nfs/dbraw/zinc/46/07/39/1066460739.db2.gz BALFWDYZWUMCKX-UHFFFAOYSA-N 0 0 456.292 4.737 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(N)c2Cl)c1 ZINC001444419843 1066460756 /nfs/dbraw/zinc/46/07/56/1066460756.db2.gz WFWHGAXRBKZQNJ-UHFFFAOYSA-N 0 0 456.395 4.781 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1F ZINC001444416359 1066460798 /nfs/dbraw/zinc/46/07/98/1066460798.db2.gz ZTEIUOCFRSLYMT-IBGZPJMESA-N 0 0 458.433 4.566 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC001455960162 1066461262 /nfs/dbraw/zinc/46/12/62/1066461262.db2.gz BMOOLGBBGXDZAT-UWJYYQICSA-N 0 0 457.498 4.510 20 0 JJADRN Nc1cc(CCCNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)nn1-c1ccccc1 ZINC001444430596 1066461314 /nfs/dbraw/zinc/46/13/14/1066461314.db2.gz JWLXLAFONCFQLJ-UHFFFAOYSA-N 0 0 453.974 4.577 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC3(C)C)n2CCn2cc(Br)cn2)c1 ZINC001361158466 1066461367 /nfs/dbraw/zinc/46/13/67/1066461367.db2.gz BWCAMEOPYJEFTL-UHFFFAOYSA-N 0 0 473.419 4.512 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1ccc2c(c1)CC(=O)N2C ZINC001455960714 1066461361 /nfs/dbraw/zinc/46/13/61/1066461361.db2.gz VGUARGIVVIBDPL-CYBMUJFWSA-N 0 0 455.530 4.762 20 0 JJADRN CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455962679 1066461653 /nfs/dbraw/zinc/46/16/53/1066461653.db2.gz OISDEBHDRDGJEI-RUZDIDTESA-N 0 0 459.496 4.822 20 0 JJADRN CCC[C@@H](Cc1ccccc1)NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001455962195 1066461753 /nfs/dbraw/zinc/46/17/53/1066461753.db2.gz ORNFMXVIKJLAGI-QHCPKHFHSA-N 0 0 458.562 4.638 20 0 JJADRN COc1cccc(Cn2[nH]c(C)c3c(NC(=O)CCc4ccc(Cl)cc4Cl)nnc2-3)c1 ZINC001444446217 1066462486 /nfs/dbraw/zinc/46/24/86/1066462486.db2.gz BVPUUWFSQYTPDC-UHFFFAOYSA-N 0 0 458.349 4.954 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)c3cccc(C)c3)cc2)cc1 ZINC001444461385 1066462691 /nfs/dbraw/zinc/46/26/91/1066462691.db2.gz TZOGLDIJPFBPPN-UHFFFAOYSA-N 0 0 452.576 4.860 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c2)n1 ZINC001444467630 1066463187 /nfs/dbraw/zinc/46/31/87/1066463187.db2.gz ZPOYROKJBPCQKF-GOSISDBHSA-N 0 0 451.502 4.525 20 0 JJADRN COc1cc(CNC(=O)Cc2ccc(C)c(Br)c2)ccc1OCc1cccnc1 ZINC001444469247 1066463956 /nfs/dbraw/zinc/46/39/56/1066463956.db2.gz PRMKTRAOZYDPPR-UHFFFAOYSA-N 0 0 455.352 4.599 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361159155 1066464047 /nfs/dbraw/zinc/46/40/47/1066464047.db2.gz QJBRYWWKELBKHM-JOCHJYFZSA-N 0 0 499.725 4.700 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2([S@](C)=O)CC2)C1 ZINC001546078018 1066464591 /nfs/dbraw/zinc/46/45/91/1066464591.db2.gz ZXNROCQDUIQJOX-UDNBHOFDSA-N 0 0 479.090 4.789 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2CC=CCC2)c1 ZINC001361159542 1066464517 /nfs/dbraw/zinc/46/45/17/1066464517.db2.gz BVDCGWALMAYBHE-FQEVSTJZSA-N 0 0 495.565 4.853 20 0 JJADRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001455977263 1066465163 /nfs/dbraw/zinc/46/51/63/1066465163.db2.gz IXXGBOOKPOOFGY-QFIPXVFZSA-N 0 0 453.583 4.677 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC001444480320 1066465165 /nfs/dbraw/zinc/46/51/65/1066465165.db2.gz HDDBZYMOLPCOAC-WWOZWPLTSA-N 0 0 450.000 4.903 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001455983175 1066466607 /nfs/dbraw/zinc/46/66/07/1066466607.db2.gz MWZPEUFMOYLIMB-MRXNPFEDSA-N 0 0 456.388 4.930 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCC(C)C)c1 ZINC001361160190 1066466519 /nfs/dbraw/zinc/46/65/19/1066466519.db2.gz UYOZQLWPHROHIN-FQEVSTJZSA-N 0 0 467.580 4.983 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC001444493301 1066466865 /nfs/dbraw/zinc/46/68/65/1066466865.db2.gz XGBZXPDOSCXTQH-HXUWFJFHSA-N 0 0 454.571 4.950 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001455987721 1066467163 /nfs/dbraw/zinc/46/71/63/1066467163.db2.gz UWUPERKGQIARBB-UHFFFAOYSA-N 0 0 453.322 4.718 20 0 JJADRN COc1ccc(COCCC(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cc1 ZINC001455985855 1066467194 /nfs/dbraw/zinc/46/71/94/1066467194.db2.gz UITBLYAOOXYADA-UHFFFAOYSA-N 0 0 450.560 4.557 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)s1 ZINC001444496462 1066467528 /nfs/dbraw/zinc/46/75/28/1066467528.db2.gz ASYIQXAZAYCUJH-LAUBAEHRSA-N 0 0 451.592 4.800 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493845 1066467611 /nfs/dbraw/zinc/46/76/11/1066467611.db2.gz ZDCDLQJZRVFXEJ-GDBMZVCRSA-N 0 0 451.336 4.894 20 0 JJADRN CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C(=O)CCCc1cc(Cl)sc1Cl ZINC001361161465 1066467824 /nfs/dbraw/zinc/46/78/24/1066467824.db2.gz YYLMFRPQMXHNFS-NSHDSACASA-N 0 0 455.363 4.928 20 0 JJADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC001455991109 1066468450 /nfs/dbraw/zinc/46/84/50/1066468450.db2.gz CMRJCIDEZTVKMT-IRLDBZIGSA-N 0 0 458.624 4.605 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 ZINC001455993832 1066469135 /nfs/dbraw/zinc/46/91/35/1066469135.db2.gz VPMMOHIRUCKOLM-SFHVURJKSA-N 0 0 452.624 4.886 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001361162236 1066469590 /nfs/dbraw/zinc/46/95/90/1066469590.db2.gz LGVRIXRLNXQSTR-IBGZPJMESA-N 0 0 469.655 4.794 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001455999374 1066469707 /nfs/dbraw/zinc/46/97/07/1066469707.db2.gz AMBFHTZMWRQBSF-SYYKKAFVSA-N 0 0 452.599 4.554 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2c(C)nn(C)c2C)cc1 ZINC001456005346 1066470234 /nfs/dbraw/zinc/47/02/34/1066470234.db2.gz HKUYVEWYHZHKHZ-UHFFFAOYSA-N 0 0 455.356 4.605 20 0 JJADRN COc1ccc(COCC(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1 ZINC001456001211 1066470364 /nfs/dbraw/zinc/47/03/64/1066470364.db2.gz DRXMXZLCDDQEKS-UHFFFAOYSA-N 0 0 453.848 4.923 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N(CC(=O)OC(C)(C)C)c3ccc4c(c3)OCO4)c2n1 ZINC001361162796 1066470851 /nfs/dbraw/zinc/47/08/51/1066470851.db2.gz CTWSBZSTAWYEIB-UHFFFAOYSA-N 0 0 454.910 4.914 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)C1 ZINC001444512269 1066471077 /nfs/dbraw/zinc/47/10/77/1066471077.db2.gz ULKNKYNNUQUGKE-KRWDZBQOSA-N 0 0 451.007 4.919 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361163176 1066471946 /nfs/dbraw/zinc/47/19/46/1066471946.db2.gz VMWHSXMMMVXIIE-SQHAQQRYSA-N 0 0 470.658 4.666 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCOC2)c1 ZINC001361163158 1066472019 /nfs/dbraw/zinc/47/20/19/1066472019.db2.gz KQIPLDXCMPXFLG-CEXWTWQISA-N 0 0 452.521 4.535 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H](C)OCc1ccccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456013244 1066472675 /nfs/dbraw/zinc/47/26/75/1066472675.db2.gz CZOSMSRCKIXNMT-OWHZGTRUSA-N 0 0 451.611 4.670 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC001444517348 1066472665 /nfs/dbraw/zinc/47/26/65/1066472665.db2.gz RNRGFGFSEPEKBY-XMSQKQJNSA-N 0 0 451.567 4.906 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCCCOCC3CCOCC3)c3cnn(C(C)C)c3n2)cc1 ZINC001444537029 1066473379 /nfs/dbraw/zinc/47/33/79/1066473379.db2.gz ZPHPTNCFUQPIAK-UHFFFAOYSA-N 0 0 450.583 4.551 20 0 JJADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2 ZINC001444549830 1066474055 /nfs/dbraw/zinc/47/40/55/1066474055.db2.gz GJQVMNIEOUADTA-DLBZAZTESA-N 0 0 454.514 4.529 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361164054 1066474865 /nfs/dbraw/zinc/47/48/65/1066474865.db2.gz UGEXSNJKATWCCC-REWPJTCUSA-N 0 0 458.672 4.868 20 0 JJADRN CCc1cccc(CC(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 ZINC001444551651 1066474824 /nfs/dbraw/zinc/47/48/24/1066474824.db2.gz NUBRIWQJVJQCRM-UHFFFAOYSA-N 0 0 450.476 4.626 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC(=O)N2CCCCC2)c1 ZINC001361164081 1066474910 /nfs/dbraw/zinc/47/49/10/1066474910.db2.gz UYQDCESIUJOELV-WOJBJXKFSA-N 0 0 493.574 4.511 20 0 JJADRN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C[C@@H](C)O)c3ccccc3n2)cc1OC ZINC001444560055 1066475730 /nfs/dbraw/zinc/47/57/30/1066475730.db2.gz HYUXUDRHPMDTIU-LJQANCHMSA-N 0 0 456.542 4.942 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC001444561199 1066476205 /nfs/dbraw/zinc/47/62/05/1066476205.db2.gz CYTKGONIXIKBOA-RBBKRZOGSA-N 0 0 453.023 4.942 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(-c4cccnc4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001361164999 1066476353 /nfs/dbraw/zinc/47/63/53/1066476353.db2.gz BOECVYVKNULGAB-UHFFFAOYSA-N 0 0 472.559 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC001444564519 1066476987 /nfs/dbraw/zinc/47/69/87/1066476987.db2.gz UBRLTDMCXGHIRW-OAQYLSRUSA-N 0 0 451.405 4.634 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC ZINC001456019968 1066477150 /nfs/dbraw/zinc/47/71/50/1066477150.db2.gz NXHAMBFSGZEBQF-QGZVFWFLSA-N 0 0 453.608 4.624 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456020691 1066477592 /nfs/dbraw/zinc/47/75/92/1066477592.db2.gz XJTLRKJQQRIVMP-JOCHJYFZSA-N 0 0 451.364 4.748 20 0 JJADRN O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cc(Br)cn2ccnc12 ZINC001456020904 1066477625 /nfs/dbraw/zinc/47/76/25/1066477625.db2.gz WLFTZTVAJMPLRO-UHFFFAOYSA-N 0 0 450.292 4.706 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCO[C@H]3C(C)C)CC2)cc1 ZINC001361166272 1066477761 /nfs/dbraw/zinc/47/77/61/1066477761.db2.gz RYQDKHXAXYYDNG-UPVQGACJSA-N 0 0 481.685 4.734 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCOc1cc(C)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020883 1066477668 /nfs/dbraw/zinc/47/76/68/1066477668.db2.gz WKAXQGUKQMTBAG-FNZWTVRRSA-N 0 0 451.611 4.842 20 0 JJADRN CCc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 ZINC001456021204 1066478362 /nfs/dbraw/zinc/47/83/62/1066478362.db2.gz ZCWJEBMQUFNJMU-DEOSSOPVSA-N 0 0 456.521 4.554 20 0 JJADRN O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)C1(c2cncc(Br)c2)CC1 ZINC001456021050 1066478372 /nfs/dbraw/zinc/47/83/72/1066478372.db2.gz XNUWVTWUGOSJNU-UHFFFAOYSA-N 0 0 451.320 4.871 20 0 JJADRN Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC001444579629 1066478422 /nfs/dbraw/zinc/47/84/22/1066478422.db2.gz OPXBYOIWAVQYLR-UHFFFAOYSA-N 0 0 456.326 4.615 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001444571380 1066478444 /nfs/dbraw/zinc/47/84/44/1066478444.db2.gz XJJLSTXPYLTNKW-XOBRGWDASA-N 0 0 452.776 4.842 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C)NC(N)=O ZINC001444570706 1066478680 /nfs/dbraw/zinc/47/86/80/1066478680.db2.gz VQJPTHWEHRHHRG-NRFANRHFSA-N 0 0 459.525 4.734 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001444571007 1066478811 /nfs/dbraw/zinc/47/88/11/1066478811.db2.gz XJJLSTXPYLTNKW-VBKZILBWSA-N 0 0 452.776 4.842 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc(OC)cc1Br ZINC001456022406 1066479160 /nfs/dbraw/zinc/47/91/60/1066479160.db2.gz ZTCDOFJGWGHCDW-UHFFFAOYSA-N 0 0 457.409 4.590 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1nccc2c(Br)cccc21 ZINC001456022689 1066479205 /nfs/dbraw/zinc/47/92/05/1066479205.db2.gz PQVMECWGLPYQPD-UHFFFAOYSA-N 0 0 457.715 4.673 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(c3ccc(C)cc3)C2)n1 ZINC001361166939 1066479244 /nfs/dbraw/zinc/47/92/44/1066479244.db2.gz CCSNOBBWPRCZFY-CJAUYULYSA-N 0 0 453.656 4.842 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(C(C)C)nnc3N3C[C@@H](C)O[C@H](C(F)(F)F)C3)co2)cc1 ZINC001361166945 1066479265 /nfs/dbraw/zinc/47/92/65/1066479265.db2.gz CGWBSYKPFPUGQB-APWZRJJASA-N 0 0 463.504 4.764 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(C(C)C)nnc3N3CCCN(C(=O)OCC(C)C)CC3)co2)cc1 ZINC001361166936 1066479328 /nfs/dbraw/zinc/47/93/28/1066479328.db2.gz CBOAFPGQRBDIMD-UHFFFAOYSA-N 0 0 480.613 4.718 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@](O)(c3ccc(C)cc3)C2)n1 ZINC001361166938 1066479354 /nfs/dbraw/zinc/47/93/54/1066479354.db2.gz CCSNOBBWPRCZFY-BVZFJXPGSA-N 0 0 453.656 4.842 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001361167163 1066479888 /nfs/dbraw/zinc/47/98/88/1066479888.db2.gz IZFUMDURFOFREL-RBISFHTESA-N 0 0 497.684 4.673 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)C)n3CCCc3ccnc(C(C)(C)C)n3)C2)cc1 ZINC001361167183 1066479938 /nfs/dbraw/zinc/47/99/38/1066479938.db2.gz JJJMVJDYDVRASP-NDEPHWFRSA-N 0 0 476.669 4.603 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001361167164 1066480042 /nfs/dbraw/zinc/48/00/42/1066480042.db2.gz IZFUMDURFOFREL-SKCUWOTOSA-N 0 0 497.684 4.673 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444601186 1066480216 /nfs/dbraw/zinc/48/02/16/1066480216.db2.gz JPEHGNGHAXAJTP-UNMCSNQZSA-N 0 0 454.542 4.903 20 0 JJADRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC001444599831 1066480249 /nfs/dbraw/zinc/48/02/49/1066480249.db2.gz IEWKYNUMJJTNMQ-CQSZACIVSA-N 0 0 457.299 4.577 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)NC[C@@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)s2)c(C)c1 ZINC001444602194 1066480876 /nfs/dbraw/zinc/48/08/76/1066480876.db2.gz GOJJOODABMKNID-FUHWJXTLSA-N 0 0 459.612 4.917 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C4CCCC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361167805 1066481482 /nfs/dbraw/zinc/48/14/82/1066481482.db2.gz WROFQJVCZKRQBV-NFQMXDRXSA-N 0 0 483.657 4.597 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1ccccc1Cl ZINC001456028280 1066481461 /nfs/dbraw/zinc/48/14/61/1066481461.db2.gz JNWXWBAOOSTJBZ-HSZRJFAPSA-N 0 0 458.949 4.814 20 0 JJADRN CN(C(=O)c1cc(I)c(F)cc1F)[C@@H](c1ccccc1)C(F)(F)F ZINC001456028588 1066481619 /nfs/dbraw/zinc/48/16/19/1066481619.db2.gz FZRUPWAQPLGIOP-AWEZNQCLSA-N 0 0 455.164 4.945 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCC3(c4ccccc4Cl)CCOCC3)CCC2=O)cc1C ZINC001456029047 1066481998 /nfs/dbraw/zinc/48/19/98/1066481998.db2.gz GWCDOAOFDPCLRD-FQEVSTJZSA-N 0 0 454.998 4.564 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)Cc2ccccc2C1 ZINC001361168614 1066482069 /nfs/dbraw/zinc/48/20/69/1066482069.db2.gz VLDYXUAAOGYZIK-UHFFFAOYSA-N 0 0 452.942 4.527 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001444610731 1066482215 /nfs/dbraw/zinc/48/22/15/1066482215.db2.gz QFQLLOQHTSRRSU-XMSQKQJNSA-N 0 0 454.567 4.756 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)CCc4ccc(OC)c(Cl)c4)CC3)c2c1 ZINC001456030664 1066482689 /nfs/dbraw/zinc/48/26/89/1066482689.db2.gz ZLKCLPHQCMJFRI-UHFFFAOYSA-N 0 0 454.954 4.955 20 0 JJADRN CCCCOCCN(C(=O)CCN(C)C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001444616120 1066483575 /nfs/dbraw/zinc/48/35/75/1066483575.db2.gz IJGPUNQOOPTVJO-UHFFFAOYSA-N 0 0 457.409 4.856 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCCNC(=O)c2occc2C)o1 ZINC001361169580 1066483711 /nfs/dbraw/zinc/48/37/11/1066483711.db2.gz HKYKWVHEIHHQPO-QGZVFWFLSA-N 0 0 453.568 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1 ZINC001456031354 1066483671 /nfs/dbraw/zinc/48/36/71/1066483671.db2.gz UHRZJAFNSJNLBI-NFBKMPQASA-N 0 0 454.586 4.945 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2Cc2nc(C)c(C)s2)o1 ZINC001361169671 1066484037 /nfs/dbraw/zinc/48/40/37/1066484037.db2.gz IVDDKHFIPYSASU-HEJPQYQCSA-N 0 0 469.636 4.903 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361169697 1066484095 /nfs/dbraw/zinc/48/40/95/1066484095.db2.gz JDOKZYPCGPBAGV-INIZCTEOSA-N 0 0 452.509 4.831 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001444616871 1066484042 /nfs/dbraw/zinc/48/40/42/1066484042.db2.gz FCCYNLPPGQCIRC-SJCJKPOMSA-N 0 0 451.539 4.772 20 0 JJADRN O=C(c1cnc(-c2c(F)cccc2F)s1)N1CCC(n2cc(Br)cn2)CC1 ZINC001456033845 1066484273 /nfs/dbraw/zinc/48/42/73/1066484273.db2.gz CMJDQOHTLKJFHY-UHFFFAOYSA-N 0 0 453.312 4.525 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)c1 ZINC001456034192 1066484322 /nfs/dbraw/zinc/48/43/22/1066484322.db2.gz ZUNDUIXFPSXNON-UHFFFAOYSA-N 0 0 455.301 4.714 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1NC(=O)c1cccs1 ZINC001444616698 1066484248 /nfs/dbraw/zinc/48/42/48/1066484248.db2.gz DBEXPOODRWEBBR-QFBILLFUSA-N 0 0 457.596 4.684 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC001456034318 1066484329 /nfs/dbraw/zinc/48/43/29/1066484329.db2.gz IOMFRUKPTSTLDA-IBGZPJMESA-N 0 0 459.568 4.673 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2sccc2C)o1 ZINC001361169762 1066484611 /nfs/dbraw/zinc/48/46/11/1066484611.db2.gz KFNLAEMURKXHPM-KRWDZBQOSA-N 0 0 470.620 4.866 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001361169994 1066484743 /nfs/dbraw/zinc/48/47/43/1066484743.db2.gz BFLNPWSWPFKNKK-GFCCVEGCSA-N 0 0 457.702 4.872 20 0 JJADRN NC(=O)NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1 ZINC001444618677 1066484848 /nfs/dbraw/zinc/48/48/48/1066484848.db2.gz SLGZGWLBZMKRQE-UHFFFAOYSA-N 0 0 451.392 4.780 20 0 JJADRN O=C(CCc1c[nH]cn1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621982 1066485068 /nfs/dbraw/zinc/48/50/68/1066485068.db2.gz ZUSWFHHPGXTDNV-LJQANCHMSA-N 0 0 450.739 4.998 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)o2)c1 ZINC001456034803 1066485198 /nfs/dbraw/zinc/48/51/98/1066485198.db2.gz BSAJDFOYMGLOLI-HXUWFJFHSA-N 0 0 456.340 4.688 20 0 JJADRN COc1ccc(CNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1OC1CCCC1 ZINC001456036185 1066485896 /nfs/dbraw/zinc/48/58/96/1066485896.db2.gz TXPAGDULKUMQGQ-UHFFFAOYSA-N 0 0 452.530 4.790 20 0 JJADRN CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC001456036331 1066485908 /nfs/dbraw/zinc/48/59/08/1066485908.db2.gz DXYSBKWXRBVTSS-NTKDMRAZSA-N 0 0 458.624 4.777 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCCc2cnn(C)n2)cc1Br ZINC001361170657 1066485923 /nfs/dbraw/zinc/48/59/23/1066485923.db2.gz IFWBFZQPXJMYKP-JXFKEZNVSA-N 0 0 486.462 4.792 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001456037144 1066486313 /nfs/dbraw/zinc/48/63/13/1066486313.db2.gz ZVRWEWAWLXHFDI-NRFANRHFSA-N 0 0 451.320 4.777 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N[C@@H](C)c1nc3ccccc3n1C)N2C(=O)OC(C)(C)C ZINC001444634427 1066486730 /nfs/dbraw/zinc/48/67/30/1066486730.db2.gz SEDUEFDACGFVSW-BTYIYWSLSA-N 0 0 452.530 4.564 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444631962 1066486757 /nfs/dbraw/zinc/48/67/57/1066486757.db2.gz XJTFNMJBUSGGPA-PBHICJAKSA-N 0 0 451.539 4.548 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456038447 1066487158 /nfs/dbraw/zinc/48/71/58/1066487158.db2.gz PEZAFBOSDQSIRG-BBRMVZONSA-N 0 0 457.290 4.630 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(N(C)CCC(F)(F)F)nnc3[C@@]3(OC(C)C)CCOC3)co2)cc1 ZINC001361171208 1066487282 /nfs/dbraw/zinc/48/72/82/1066487282.db2.gz SXNATYDKBDQYQZ-HSZRJFAPSA-N 0 0 493.530 4.719 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456041212 1066487857 /nfs/dbraw/zinc/48/78/57/1066487857.db2.gz WOLSMMJYQSMEGK-FXAWDEMLSA-N 0 0 451.792 4.901 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456041217 1066487913 /nfs/dbraw/zinc/48/79/13/1066487913.db2.gz WOLSMMJYQSMEGK-PXNSSMCTSA-N 0 0 451.792 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361171927 1066488059 /nfs/dbraw/zinc/48/80/59/1066488059.db2.gz UJBTZNUVFDDTFL-GDBMZVCRSA-N 0 0 463.508 4.782 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456041228 1066488830 /nfs/dbraw/zinc/48/88/30/1066488830.db2.gz WOLSMMJYQSMEGK-YLJYHZDGSA-N 0 0 451.792 4.901 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ncnc3sccc32)c2ccccc2)cc1Br ZINC001456043028 1066488859 /nfs/dbraw/zinc/48/88/59/1066488859.db2.gz GIACSKQNXZWBNX-SFHVURJKSA-N 0 0 454.349 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361172020 1066488767 /nfs/dbraw/zinc/48/87/67/1066488767.db2.gz YBPRPNQPSRXPGY-IWAYBZMOSA-N 0 0 450.555 4.869 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3Cc4ccccc4C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361172035 1066488854 /nfs/dbraw/zinc/48/88/54/1066488854.db2.gz WBFGNXWUDPYKHC-SFHVURJKSA-N 0 0 479.625 4.953 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001444653785 1066488847 /nfs/dbraw/zinc/48/88/47/1066488847.db2.gz VRKJLLGQMKXPBZ-NLFFAJNJSA-N 0 0 456.652 4.961 20 0 JJADRN Cc1cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c(C)cc1Br ZINC001456041832 1066488942 /nfs/dbraw/zinc/48/89/42/1066488942.db2.gz XCTXOIPFTQFOHG-UHFFFAOYSA-N 0 0 457.777 4.512 20 0 JJADRN O=C(COC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)Nc1ccccc1 ZINC001456044153 1066489255 /nfs/dbraw/zinc/48/92/55/1066489255.db2.gz NFKNQEGMYHFWEA-OAQYLSRUSA-N 0 0 458.283 4.890 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c2ccccc12 ZINC001361172788 1066490127 /nfs/dbraw/zinc/49/01/27/1066490127.db2.gz JTEXEFXPKHEKFY-FQEVSTJZSA-N 0 0 452.982 4.622 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001444664213 1066490299 /nfs/dbraw/zinc/49/02/99/1066490299.db2.gz AXIBFMAUQKOUKT-KRWDZBQOSA-N 0 0 457.393 4.576 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc12 ZINC001361174197 1066491295 /nfs/dbraw/zinc/49/12/95/1066491295.db2.gz QSSOOXQPUPNYEE-IBGZPJMESA-N 0 0 459.015 4.662 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Br)c(Cl)c2)c(C)c1 ZINC001456047445 1066491671 /nfs/dbraw/zinc/49/16/71/1066491671.db2.gz JGXGNXDFLDJCRQ-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2C[C@H]2CCO[C@@H]2C(C)C)o1 ZINC001361174595 1066491475 /nfs/dbraw/zinc/49/14/75/1066491475.db2.gz UOWHFBCACHMKTJ-QFZWGZQFSA-N 0 0 479.625 4.563 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(N(C)c3ccccc3)n2)c1C ZINC001456047414 1066491716 /nfs/dbraw/zinc/49/17/16/1066491716.db2.gz IOERIXGAQRSIKN-HXUWFJFHSA-N 0 0 452.605 4.682 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@](C)(O)c2ccsc2)o1 ZINC001361175077 1066492164 /nfs/dbraw/zinc/49/21/64/1066492164.db2.gz BLTRZIXASBKRQM-HSZRJFAPSA-N 0 0 485.997 4.544 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001456048886 1066492151 /nfs/dbraw/zinc/49/21/51/1066492151.db2.gz NHXRJNCWYQXKGL-FQEVSTJZSA-N 0 0 459.999 4.909 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001444676547 1066492215 /nfs/dbraw/zinc/49/22/15/1066492215.db2.gz TVJQETKAERQHSE-XOBRGWDASA-N 0 0 452.769 4.925 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C1CC1 ZINC001456049782 1066493320 /nfs/dbraw/zinc/49/33/20/1066493320.db2.gz JWEINIFHFVCGGY-OAQYLSRUSA-N 0 0 453.461 4.784 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1cccc(Cl)c1 ZINC001444688389 1066493450 /nfs/dbraw/zinc/49/34/50/1066493450.db2.gz JKVKFIJSXVJEOO-ORAYPTAESA-N 0 0 454.901 4.768 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC001444692284 1066493479 /nfs/dbraw/zinc/49/34/79/1066493479.db2.gz VTCYVJOLXAVLEB-CEWLAPEOSA-N 0 0 460.615 4.788 20 0 JJADRN CCCc1c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)nnn1-c1cccc(Cl)c1 ZINC001444694646 1066493769 /nfs/dbraw/zinc/49/37/69/1066493769.db2.gz ZQMOANYQQFFAHK-SFHVURJKSA-N 0 0 453.757 4.643 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545968526 1066493885 /nfs/dbraw/zinc/49/38/85/1066493885.db2.gz GXHCDYKPTFDKSD-AWEZNQCLSA-N 0 0 455.937 4.747 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)c1C ZINC001456051298 1066493864 /nfs/dbraw/zinc/49/38/64/1066493864.db2.gz AABHLXZZCNWCRB-UHFFFAOYSA-N 0 0 459.468 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361175879 1066493863 /nfs/dbraw/zinc/49/38/63/1066493863.db2.gz XHUOGDZKWGYNMC-FUHWJXTLSA-N 0 0 486.642 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2CCC(=O)NC2CCCCC2)cc1Br ZINC001361175860 1066493900 /nfs/dbraw/zinc/49/39/00/1066493900.db2.gz WZSMYNATMVUVAB-UHFFFAOYSA-N 0 0 476.463 4.947 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001456051283 1066493970 /nfs/dbraw/zinc/49/39/70/1066493970.db2.gz OGYGPRJANKWGLR-KUHUBIRLSA-N 0 0 452.498 4.748 20 0 JJADRN CO[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C ZINC001444699936 1066494588 /nfs/dbraw/zinc/49/45/88/1066494588.db2.gz AIACXGHTBJUGRC-GOSISDBHSA-N 0 0 459.395 4.585 20 0 JJADRN CCc1sc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)cc1Br ZINC001456053645 1066494612 /nfs/dbraw/zinc/49/46/12/1066494612.db2.gz VYEVEZGKEXAJII-OAHLLOKOSA-N 0 0 453.427 4.844 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)c3ccccc3n2)cc1OC ZINC001456053619 1066494640 /nfs/dbraw/zinc/49/46/40/1066494640.db2.gz FWOJFIFNACKFEI-MRXNPFEDSA-N 0 0 450.535 4.769 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1N1CCOC1=O ZINC001444696025 1066494655 /nfs/dbraw/zinc/49/46/55/1066494655.db2.gz DLXVQKXLGWMRDE-UHFFFAOYSA-N 0 0 453.520 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CCCN2CCCCC2=O)o1 ZINC001361177401 1066495062 /nfs/dbraw/zinc/49/50/62/1066495062.db2.gz CINBCNCZSLDKLN-UHFFFAOYSA-N 0 0 465.598 4.673 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001456055195 1066496009 /nfs/dbraw/zinc/49/60/09/1066496009.db2.gz RKVVPPMFWAFBFB-IVZQSRNASA-N 0 0 453.421 4.890 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001456057156 1066496672 /nfs/dbraw/zinc/49/66/72/1066496672.db2.gz UQJMQKWBMJVJGT-SZNDQCEHSA-N 0 0 459.509 4.703 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)NCc3cc(N(C)C)nc4ccccc34)cc2)c(OC)c1 ZINC001444722588 1066497371 /nfs/dbraw/zinc/49/73/71/1066497371.db2.gz QPFGRRPISRSQJL-UHFFFAOYSA-N 0 0 456.546 4.992 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)o1 ZINC001361177921 1066497679 /nfs/dbraw/zinc/49/76/79/1066497679.db2.gz VDZGTOLHDXFCAX-UHFFFAOYSA-N 0 0 477.569 4.666 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2Cc2nccs2)o1 ZINC001361178041 1066497685 /nfs/dbraw/zinc/49/76/85/1066497685.db2.gz XSXZHDPGBOVPKD-UHFFFAOYSA-N 0 0 450.387 4.812 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCc2nc(C(F)(F)F)cs2)o1 ZINC001361177946 1066497748 /nfs/dbraw/zinc/49/77/48/1066497748.db2.gz VPERTUBMXXLQRR-UHFFFAOYSA-N 0 0 466.489 4.806 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)c3cccc(OC)c3)cc2)o1 ZINC001444730270 1066498028 /nfs/dbraw/zinc/49/80/28/1066498028.db2.gz PVLVLEGLNXMVSL-UHFFFAOYSA-N 0 0 452.511 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361178099 1066498186 /nfs/dbraw/zinc/49/81/86/1066498186.db2.gz ZWFLTCBGLUBQPJ-GOSISDBHSA-N 0 0 472.565 4.829 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361178112 1066498203 /nfs/dbraw/zinc/49/82/03/1066498203.db2.gz ZZDBPPRCWSUNDB-QHCPKHFHSA-N 0 0 455.946 4.649 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 ZINC001456060436 1066498461 /nfs/dbraw/zinc/49/84/61/1066498461.db2.gz WQWAANPOXXDMJK-JOCHJYFZSA-N 0 0 452.576 4.956 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nccn1-c1cccc(C)c1C ZINC001444731672 1066498778 /nfs/dbraw/zinc/49/87/78/1066498778.db2.gz ZERHMNHBHGGJLM-UHFFFAOYSA-N 0 0 450.608 4.685 20 0 JJADRN C[C@@H]1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)[C@H](c2ccco2)C1 ZINC001444731476 1066498791 /nfs/dbraw/zinc/49/87/91/1066498791.db2.gz FUAKKVUQMKUKNX-XLIONFOSSA-N 0 0 452.555 4.654 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001456062746 1066498931 /nfs/dbraw/zinc/49/89/31/1066498931.db2.gz TWDXFDWDUODPAK-CYBMUJFWSA-N 0 0 458.805 4.711 20 0 JJADRN CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456062389 1066498989 /nfs/dbraw/zinc/49/89/89/1066498989.db2.gz BAKYVDOOSSGPAW-XMMPIXPASA-N 0 0 455.574 4.972 20 0 JJADRN CO[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1cccc(Cl)c1 ZINC001444736890 1066499645 /nfs/dbraw/zinc/49/96/45/1066499645.db2.gz MUNWQXKCMQJKIG-OAHLLOKOSA-N 0 0 459.255 4.710 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC001444748574 1066500844 /nfs/dbraw/zinc/50/08/44/1066500844.db2.gz XYWQEAWPUOOBSL-FDDCHVKYSA-N 0 0 452.576 4.680 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)C2CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456069132 1066501761 /nfs/dbraw/zinc/50/17/61/1066501761.db2.gz ZDNLAKTWRKAVHU-XMMPIXPASA-N 0 0 452.551 4.717 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545968674 1066501676 /nfs/dbraw/zinc/50/16/76/1066501676.db2.gz JETNOBURWJSHPD-QKLQHJQFSA-N 0 0 478.037 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC001456070904 1066502101 /nfs/dbraw/zinc/50/21/01/1066502101.db2.gz XFVDEDLJTFNUSS-ZWKOTPCHSA-N 0 0 452.393 4.687 20 0 JJADRN CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456070759 1066502148 /nfs/dbraw/zinc/50/21/48/1066502148.db2.gz FULGQIQBUYDOSZ-RUZDIDTESA-N 0 0 458.949 4.592 20 0 JJADRN C[C@](O)(CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC001444760958 1066502183 /nfs/dbraw/zinc/50/21/83/1066502183.db2.gz ZDNDWVSNWNBJAU-DEOSSOPVSA-N 0 0 453.514 4.771 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001444763355 1066502228 /nfs/dbraw/zinc/50/22/28/1066502228.db2.gz CPLHJZGWVLQOQE-NRFANRHFSA-N 0 0 451.369 4.978 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181232 1066502351 /nfs/dbraw/zinc/50/23/51/1066502351.db2.gz IABBYHFGMRFDRO-VQIMIIECSA-N 0 0 455.559 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(Cc4ccccc4)c3)n2CCCOC(F)(F)F)o1 ZINC001361181072 1066502528 /nfs/dbraw/zinc/50/25/28/1066502528.db2.gz ORTPSPPMKVYMLK-UHFFFAOYSA-N 0 0 474.487 4.654 20 0 JJADRN CN(CC(=O)N1CC(OCc2cccc3ccccc32)C1)c1ccc(C(F)(F)F)cc1C=O ZINC001444766544 1066502681 /nfs/dbraw/zinc/50/26/81/1066502681.db2.gz LHIPGZFZZAYLNC-UHFFFAOYSA-N 0 0 456.464 4.535 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC001456072106 1066502680 /nfs/dbraw/zinc/50/26/80/1066502680.db2.gz FLNMUIDCOPWFBL-CQSZACIVSA-N 0 0 459.569 4.561 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCCO2)cc1Br ZINC001361181316 1066502826 /nfs/dbraw/zinc/50/28/26/1066502826.db2.gz JHWLEAGSUBJSDA-LJQANCHMSA-N 0 0 485.430 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2CCCSC2)cc1Br ZINC001361181262 1066502896 /nfs/dbraw/zinc/50/28/96/1066502896.db2.gz RZKIANZLCHWRNH-INIZCTEOSA-N 0 0 475.460 4.529 20 0 JJADRN O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001444769119 1066503233 /nfs/dbraw/zinc/50/32/33/1066503233.db2.gz OBTNGZAAKIYFRA-QGZVFWFLSA-N 0 0 453.823 4.996 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC(=O)N(C)C2CCCCC2)o1 ZINC001361181380 1066503420 /nfs/dbraw/zinc/50/34/20/1066503420.db2.gz KVPAGKVABVAGAS-UHFFFAOYSA-N 0 0 496.559 4.749 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444771908 1066503341 /nfs/dbraw/zinc/50/33/41/1066503341.db2.gz WTBUJJWYKSHXKW-OAHLLOKOSA-N 0 0 458.327 4.936 20 0 JJADRN CCN(C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075447 1066503513 /nfs/dbraw/zinc/50/35/13/1066503513.db2.gz OYGJEYMHSADEKE-REWPJTCUSA-N 0 0 454.979 4.634 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1C ZINC001444781359 1066503599 /nfs/dbraw/zinc/50/35/99/1066503599.db2.gz BAUPDVAZGLOSCT-INIZCTEOSA-N 0 0 451.533 4.929 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCCCn2ccnc2C)o1 ZINC001361181633 1066503822 /nfs/dbraw/zinc/50/38/22/1066503822.db2.gz RDWYLNQDDGDUBT-UHFFFAOYSA-N 0 0 479.532 4.944 20 0 JJADRN CC(C)(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001444784482 1066504166 /nfs/dbraw/zinc/50/41/66/1066504166.db2.gz KEKVCTZLPJZEDY-FQEVSTJZSA-N 0 0 450.341 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)c2cccc(F)c2)o1 ZINC001361181768 1066504200 /nfs/dbraw/zinc/50/42/00/1066504200.db2.gz WBRZHOPFEPANKI-UHFFFAOYSA-N 0 0 456.953 4.987 20 0 JJADRN CN(C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC001456077321 1066504489 /nfs/dbraw/zinc/50/44/89/1066504489.db2.gz OBHPLEBPGKZDDC-NRFANRHFSA-N 0 0 453.336 4.679 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001545969213 1066504673 /nfs/dbraw/zinc/50/46/73/1066504673.db2.gz TVYASTIBEFXCPG-CQSZACIVSA-N 0 0 457.953 4.993 20 0 JJADRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001444799479 1066505167 /nfs/dbraw/zinc/50/51/67/1066505167.db2.gz FXYXSJYXFURAQN-PMACEKPBSA-N 0 0 454.514 4.875 20 0 JJADRN CCN(C(=O)[C@@H]1CCCc2nn(C)cc21)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078819 1066505187 /nfs/dbraw/zinc/50/51/87/1066505187.db2.gz WIOUAWHXCFUSKL-DENIHFKCSA-N 0 0 453.384 4.636 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC001361183410 1066505460 /nfs/dbraw/zinc/50/54/60/1066505460.db2.gz SRHKDYILCBCHEU-JTQLQIEISA-N 0 0 455.346 4.724 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC(=O)NC2CCCCC2)cc1Br ZINC001361183439 1066505556 /nfs/dbraw/zinc/50/55/56/1066505556.db2.gz KLRVPBKJHMMKOS-UHFFFAOYSA-N 0 0 492.437 4.649 20 0 JJADRN CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001444802435 1066505523 /nfs/dbraw/zinc/50/55/23/1066505523.db2.gz VWBQMCOWPIHHIO-GOTSBHOMSA-N 0 0 457.590 4.772 20 0 JJADRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001444800345 1066505615 /nfs/dbraw/zinc/50/56/15/1066505615.db2.gz HLPQSPOODWPJOC-RPBOFIJWSA-N 0 0 450.604 4.693 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456079842 1066505528 /nfs/dbraw/zinc/50/55/28/1066505528.db2.gz XIGYGADEKROUSS-DVECYGJZSA-N 0 0 451.929 4.865 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc(OCC(F)F)nc1 ZINC001456080853 1066505643 /nfs/dbraw/zinc/50/56/43/1066505643.db2.gz BINAUVDVAHDGTB-NRFANRHFSA-N 0 0 451.473 4.955 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC(F)C1 ZINC001361183599 1066505916 /nfs/dbraw/zinc/50/59/16/1066505916.db2.gz NFUQQTJRMAYJIN-UHFFFAOYSA-N 0 0 475.410 4.865 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC001456084177 1066505987 /nfs/dbraw/zinc/50/59/87/1066505987.db2.gz VCVSQBVIRWOIEF-CQSZACIVSA-N 0 0 455.447 4.658 20 0 JJADRN C[C@H](CC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444804223 1066506089 /nfs/dbraw/zinc/50/60/89/1066506089.db2.gz MQJBUGTZTHMEEQ-BRWVUGGUSA-N 0 0 457.036 4.975 20 0 JJADRN C[C@H](CC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444804230 1066506097 /nfs/dbraw/zinc/50/60/97/1066506097.db2.gz MQJBUGTZTHMEEQ-IXDOHACOSA-N 0 0 457.036 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC3)n2CC(F)(F)Br)cc1Br ZINC001361183938 1066506508 /nfs/dbraw/zinc/50/65/08/1066506508.db2.gz SVXYETGHACUWIK-UHFFFAOYSA-N 0 0 464.152 4.850 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001361183996 1066506524 /nfs/dbraw/zinc/50/65/24/1066506524.db2.gz VPUNTFIVSJITLI-UHFFFAOYSA-N 0 0 493.400 4.896 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361184027 1066506594 /nfs/dbraw/zinc/50/65/94/1066506594.db2.gz WMPRBBNVRUBHQF-UHFFFAOYSA-N 0 0 492.437 4.603 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)c(I)c1)n1cnc2ccccc21 ZINC001456086695 1066506471 /nfs/dbraw/zinc/50/64/71/1066506471.db2.gz GWVYMWYZCWTCME-JTQLQIEISA-N 0 0 459.209 4.859 20 0 JJADRN C[C@H](C(=O)Nc1ccc(C(F)(F)F)c(I)c1)n1cnc2ccccc21 ZINC001456086697 1066506618 /nfs/dbraw/zinc/50/66/18/1066506618.db2.gz GWVYMWYZCWTCME-SNVBAGLBSA-N 0 0 459.209 4.859 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2cc(C(F)(F)F)ccc2Br)nc1C ZINC001456086241 1066506631 /nfs/dbraw/zinc/50/66/31/1066506631.db2.gz IPZYXIXNPPTKKU-UHFFFAOYSA-N 0 0 451.264 4.686 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC001361183863 1066506686 /nfs/dbraw/zinc/50/66/86/1066506686.db2.gz QDCZKCKHLLIGFX-JVGQSUMCSA-N 0 0 465.411 4.751 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CCN1C(=O)OC(C)(C)C ZINC001444808520 1066506950 /nfs/dbraw/zinc/50/69/50/1066506950.db2.gz WOLMMCFDPZNMMG-CYBMUJFWSA-N 0 0 455.502 4.910 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)c1=O ZINC001456088774 1066506975 /nfs/dbraw/zinc/50/69/75/1066506975.db2.gz YGFOZPTZWNUIGA-LJQANCHMSA-N 0 0 455.002 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)cc1Br ZINC001361184349 1066507208 /nfs/dbraw/zinc/50/72/08/1066507208.db2.gz HJGSQPIONHZXPX-YVGXBJCXSA-N 0 0 497.503 4.569 20 0 JJADRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001444810099 1066507461 /nfs/dbraw/zinc/50/74/61/1066507461.db2.gz TXCDICDWPDQHFU-IEBWSBKVSA-N 0 0 450.398 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361184437 1066507695 /nfs/dbraw/zinc/50/76/95/1066507695.db2.gz KCTDLUVTRXUKTE-INIZCTEOSA-N 0 0 450.461 4.656 20 0 JJADRN Cc1noc(C)c1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001361184801 1066508150 /nfs/dbraw/zinc/50/81/50/1066508150.db2.gz UYYZIFAUGOGQCS-GOSISDBHSA-N 0 0 488.430 4.726 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)C(C)C ZINC001456093930 1066508175 /nfs/dbraw/zinc/50/81/75/1066508175.db2.gz RHPSENDBMJKFHP-GOSISDBHSA-N 0 0 452.363 4.835 20 0 JJADRN C[C@H](CNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)c1ccc(F)cc1F ZINC001444812716 1066508132 /nfs/dbraw/zinc/50/81/32/1066508132.db2.gz PGHXEYXWYKTRKS-CQSZACIVSA-N 0 0 456.580 4.561 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811402 1066508191 /nfs/dbraw/zinc/50/81/91/1066508191.db2.gz NYKHMXYHRPICBU-OALUTQOASA-N 0 0 450.601 4.681 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCC(OCC4CC4)CC3)ccc21 ZINC001361184980 1066508603 /nfs/dbraw/zinc/50/86/03/1066508603.db2.gz AQSYPIOIYBKKCU-UHFFFAOYSA-N 0 0 455.599 4.587 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 ZINC001456095036 1066508708 /nfs/dbraw/zinc/50/87/08/1066508708.db2.gz IZQINNRFXCGUGO-SZNDQCEHSA-N 0 0 451.614 4.841 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)CCOc3ccccc3C(C)C)CCCC2)cc1OC ZINC001361185387 1066509117 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CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)Cc1c(C)noc1C)NC(=O)OC(C)(C)C ZINC001545971425 1066529961 /nfs/dbraw/zinc/52/99/61/1066529961.db2.gz XKEOARZNOMKBMX-QGZVFWFLSA-N 0 0 472.565 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCCOC[C@@H]2CCOC2)o1 ZINC001361200383 1066530367 /nfs/dbraw/zinc/53/03/67/1066530367.db2.gz UZHCQUBJQADMDF-HNNXBMFYSA-N 0 0 496.452 4.611 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC001456178827 1066530582 /nfs/dbraw/zinc/53/05/82/1066530582.db2.gz QFYPUBRIEWRRGX-QGZVFWFLSA-N 0 0 458.605 4.978 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)cc1 ZINC001445029441 1066530896 /nfs/dbraw/zinc/53/08/96/1066530896.db2.gz MAQXNHNOPORTPX-SFHVURJKSA-N 0 0 458.562 4.728 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC001445026770 1066531037 /nfs/dbraw/zinc/53/10/37/1066531037.db2.gz FUDIXDJLCVVCPD-KBABAZTHSA-N 0 0 450.579 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361201455 1066531372 /nfs/dbraw/zinc/53/13/72/1066531372.db2.gz BMQARCFJZNSPRV-WLHIUKMVSA-N 0 0 465.461 4.552 20 0 JJADRN C[C@@H](c1cccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001456181728 1066531454 /nfs/dbraw/zinc/53/14/54/1066531454.db2.gz WDOLYFDPNXPNPL-WMZHIEFXSA-N 0 0 459.631 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](c4ccccc4)[C@H]3C)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361201711 1066531749 /nfs/dbraw/zinc/53/17/49/1066531749.db2.gz HWRDOTNUQVDDNJ-QUCCMNQESA-N 0 0 451.571 4.754 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C3)n2C[C@@](C)(O)c2cccs2)cc1Br ZINC001361201746 1066531946 /nfs/dbraw/zinc/53/19/46/1066531946.db2.gz ILCMJUIALZUMFP-SPLOXXLWSA-N 0 0 461.429 4.831 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2cc(C)cc(I)c2)cc1 ZINC001456184502 1066531957 /nfs/dbraw/zinc/53/19/57/1066531957.db2.gz GWAYHZBFEJBTHE-CQSZACIVSA-N 0 0 455.361 4.829 20 0 JJADRN CCOC1(C(=O)N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)CCOCC1 ZINC001456182003 1066532008 /nfs/dbraw/zinc/53/20/08/1066532008.db2.gz XEXYDXRWZCIGHA-UHFFFAOYSA-N 0 0 454.636 4.689 20 0 JJADRN C[C@H]1Cc2ccccc2CN1C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001445039638 1066532153 /nfs/dbraw/zinc/53/21/53/1066532153.db2.gz XNZCGGWPMHWRMO-KRWDZBQOSA-N 0 0 455.624 4.920 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CN(C)C(=O)c2ccc(Br)s2)o1 ZINC001361202578 1066532282 /nfs/dbraw/zinc/53/22/82/1066532282.db2.gz JZAFSWYZLREUIA-DZGCQCFKSA-N 0 0 453.402 4.738 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361202475 1066532369 /nfs/dbraw/zinc/53/23/69/1066532369.db2.gz PECHEMDGBRIHDY-INIZCTEOSA-N 0 0 470.442 4.897 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(C)c(Cl)c2)cc1 ZINC001456186399 1066532330 /nfs/dbraw/zinc/53/23/30/1066532330.db2.gz GACXPDGWMPLTIH-UHFFFAOYSA-N 0 0 458.967 4.759 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)NCCc1ccc(Br)cc1F ZINC001456191077 1066533392 /nfs/dbraw/zinc/53/33/92/1066533392.db2.gz FYHJQCYZRCNVRL-UHFFFAOYSA-N 0 0 454.137 4.733 20 0 JJADRN COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC001456188684 1066533429 /nfs/dbraw/zinc/53/34/29/1066533429.db2.gz PYUCIKJEJGIBKW-VQTJNVASSA-N 0 0 450.938 4.533 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)n2)c1 ZINC001445050927 1066533535 /nfs/dbraw/zinc/53/35/35/1066533535.db2.gz PPRWAAFGYXGJQP-SNVBAGLBSA-N 0 0 458.487 4.542 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)S1 ZINC001445049618 1066533698 /nfs/dbraw/zinc/53/36/98/1066533698.db2.gz OJDSJBKXICZDCO-HUUCEWRRSA-N 0 0 452.498 4.689 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)CCCc1ccc(OC)c(OC)c1 ZINC001361203564 1066533665 /nfs/dbraw/zinc/53/36/65/1066533665.db2.gz VQQCTJUKVUSPFX-UHFFFAOYSA-N 0 0 450.329 4.523 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001361203513 1066533803 /nfs/dbraw/zinc/53/38/03/1066533803.db2.gz URSZHVGJOASUKT-UHFFFAOYSA-N 0 0 458.312 4.556 20 0 JJADRN O=C(NCCc1ccc(Br)cc1F)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001456191366 1066533818 /nfs/dbraw/zinc/53/38/18/1066533818.db2.gz GVFNLHKQVFUYRK-UHFFFAOYSA-N 0 0 456.237 4.765 20 0 JJADRN CCOc1c(F)cccc1C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@H](C)CC ZINC001456194970 1066534277 /nfs/dbraw/zinc/53/42/77/1066534277.db2.gz OIYHCAAMNQFIJM-DVECYGJZSA-N 0 0 454.586 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1ccc(F)c(Br)c1 ZINC001445059465 1066535318 /nfs/dbraw/zinc/53/53/18/1066535318.db2.gz YEQOWIUAVVKGQC-KRWDZBQOSA-N 0 0 451.292 4.599 20 0 JJADRN Cc1nc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)ccc1I ZINC001361204691 1066535541 /nfs/dbraw/zinc/53/55/41/1066535541.db2.gz FUSLRYKJSPXAAR-SECBINFHSA-N 0 0 451.091 4.707 20 0 JJADRN Cc1nc(NC(=O)[C@@H](C)c2ccc(Br)s2)ccc1I ZINC001361204707 1066535687 /nfs/dbraw/zinc/53/56/87/1066535687.db2.gz GDERWSWYLPWUEG-ZETCQYMHSA-N 0 0 451.127 4.561 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccccc1Cn1cncn1 ZINC001445060557 1066535686 /nfs/dbraw/zinc/53/56/86/1066535686.db2.gz CQFHTEIHRIAQMX-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN CC[C@H]1CN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CCS1 ZINC001445063963 1066535697 /nfs/dbraw/zinc/53/56/97/1066535697.db2.gz XFFVFXYBNVURSN-JTQLQIEISA-N 0 0 454.852 4.845 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)c2cccc(Cl)c2C)CC1 ZINC001445059878 1066535814 /nfs/dbraw/zinc/53/58/14/1066535814.db2.gz YVGANCFRSDPEKW-UHFFFAOYSA-N 0 0 456.995 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)C1 ZINC001445062261 1066535898 /nfs/dbraw/zinc/53/58/98/1066535898.db2.gz OXVSTKHJJVPUJQ-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001456200236 1066536167 /nfs/dbraw/zinc/53/61/67/1066536167.db2.gz WLYHREQIURNAOY-ONGXEEELSA-N 0 0 452.176 4.533 20 0 JJADRN CCCc1nnc(SCC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)n1N ZINC001445075586 1066536208 /nfs/dbraw/zinc/53/62/08/1066536208.db2.gz DAUWDNHXCNVROW-UHFFFAOYSA-N 0 0 459.000 4.605 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCCOC2CCCCC2)o1 ZINC001361205306 1066536505 /nfs/dbraw/zinc/53/65/05/1066536505.db2.gz HHCKNUOXKAVRJE-FQEVSTJZSA-N 0 0 487.645 4.937 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)N[C@H]3CC[C@H](C)CC3)[C@@H]2c2ccccc2OC)cc1 ZINC001456200910 1066536400 /nfs/dbraw/zinc/53/64/00/1066536400.db2.gz VFKIMPZJYOZBTG-CQRKEVOWSA-N 0 0 450.579 4.883 20 0 JJADRN CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(OCc4cccnc4)c(Cl)c3)c(=O)[nH]c2C1 ZINC001445074730 1066536487 /nfs/dbraw/zinc/53/64/87/1066536487.db2.gz MXTWCPTUYMKOGP-UHFFFAOYSA-N 0 0 451.910 4.822 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)o1 ZINC001361205191 1066536557 /nfs/dbraw/zinc/53/65/57/1066536557.db2.gz FERUXKRPXATHMS-NRFANRHFSA-N 0 0 487.645 4.889 20 0 JJADRN C[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)Nc1ccccc1 ZINC001456201100 1066536842 /nfs/dbraw/zinc/53/68/42/1066536842.db2.gz MLIGQHYHRLKZSP-KKSFZXQISA-N 0 0 453.336 4.713 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC(C(=O)NCc4ccc(C)cc4)CC3)c2)c(C)c1 ZINC001445079084 1066536954 /nfs/dbraw/zinc/53/69/54/1066536954.db2.gz FILMHFNLJLUZMG-UHFFFAOYSA-N 0 0 457.574 4.543 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001456203414 1066537189 /nfs/dbraw/zinc/53/71/89/1066537189.db2.gz MTYSLUGUDFLOQL-UHFFFAOYSA-N 0 0 454.567 4.857 20 0 JJADRN CCOc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 ZINC001456202373 1066537225 /nfs/dbraw/zinc/53/72/25/1066537225.db2.gz LAFPVZGFNRKHNG-JIPXPUAJSA-N 0 0 450.623 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)cc1Br ZINC001361205721 1066537332 /nfs/dbraw/zinc/53/73/32/1066537332.db2.gz QOVLGCKKUCNKLH-UNMCSNQZSA-N 0 0 491.474 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)cc1Br ZINC001361205718 1066537452 /nfs/dbraw/zinc/53/74/52/1066537452.db2.gz QOVLGCKKUCNKLH-IFMALSPDSA-N 0 0 491.474 4.676 20 0 JJADRN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC001456208114 1066537704 /nfs/dbraw/zinc/53/77/04/1066537704.db2.gz GERWYDIOORIYNB-SFHVURJKSA-N 0 0 451.405 4.729 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC001456211036 1066538061 /nfs/dbraw/zinc/53/80/61/1066538061.db2.gz HVFPPJHZFQHDSW-UHFFFAOYSA-N 0 0 457.299 4.886 20 0 JJADRN CC1(C)CN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1(C)C ZINC001445086147 1066538256 /nfs/dbraw/zinc/53/82/56/1066538256.db2.gz WKKYHPGKKYMLLJ-UHFFFAOYSA-N 0 0 455.407 4.984 20 0 JJADRN C[C@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445090282 1066538595 /nfs/dbraw/zinc/53/85/95/1066538595.db2.gz KCNCBMQFTLFLNQ-AJHXJQRKSA-N 0 0 452.448 4.576 20 0 JJADRN C[C@@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445091793 1066538654 /nfs/dbraw/zinc/53/86/54/1066538654.db2.gz KCNCBMQFTLFLNQ-WUKHSURWSA-N 0 0 452.448 4.576 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(Br)ccc3-n3cccn3)cc2)C[C@@H](C)O1 ZINC001456212565 1066538641 /nfs/dbraw/zinc/53/86/41/1066538641.db2.gz MBHBMJOBGHKVAD-HZPDHXFCSA-N 0 0 455.356 4.501 20 0 JJADRN Cc1nc(CCC(=O)NCCCNc2ccc(C)cn2)oc1-c1ccc(Br)cc1 ZINC001445092152 1066538696 /nfs/dbraw/zinc/53/86/96/1066538696.db2.gz LUWZLIGYERQJHJ-UHFFFAOYSA-N 0 0 457.372 4.667 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(C)(C)c2cccc(F)c2)o1 ZINC001361206978 1066538776 /nfs/dbraw/zinc/53/87/76/1066538776.db2.gz DSDGYYCGEABWLO-UHFFFAOYSA-N 0 0 466.479 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)c4ccccc4C)CC3)n2CCSC(C)C)o1 ZINC001361206894 1066538829 /nfs/dbraw/zinc/53/88/29/1066538829.db2.gz AKPHRMAXZWIWOO-UHFFFAOYSA-N 0 0 467.639 4.695 20 0 JJADRN COC[C@@H](NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001361206520 1066538904 /nfs/dbraw/zinc/53/89/04/1066538904.db2.gz PMMRLNFRYKYEME-LJQANCHMSA-N 0 0 455.311 4.647 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC001445094442 1066539211 /nfs/dbraw/zinc/53/92/11/1066539211.db2.gz QLUNWLQLXWYRQX-LJQANCHMSA-N 0 0 451.539 4.525 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2Cc2csc(C)c2)o1 ZINC001361207135 1066539750 /nfs/dbraw/zinc/53/97/50/1066539750.db2.gz KHYLTAROUMVSMI-UHFFFAOYSA-N 0 0 457.600 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2csc(C)c2)o1 ZINC001361207222 1066540088 /nfs/dbraw/zinc/54/00/88/1066540088.db2.gz NELBZNZIXMAXLN-SFHVURJKSA-N 0 0 457.600 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCOC2CCCCCC2)o1 ZINC001361207239 1066540101 /nfs/dbraw/zinc/54/01/01/1066540101.db2.gz NUJSMJZGPTYXPY-IBGZPJMESA-N 0 0 473.618 4.689 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)C2)c1 ZINC001456224123 1066540526 /nfs/dbraw/zinc/54/05/26/1066540526.db2.gz JOZFTTLHFXNJRC-DEOSSOPVSA-N 0 0 454.592 4.683 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)c4ccc(F)cc4)CC3)n2CCSC(C)C)o1 ZINC001361207613 1066540587 /nfs/dbraw/zinc/54/05/87/1066540587.db2.gz WKUGSOSKCMJCPV-UHFFFAOYSA-N 0 0 471.602 4.526 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC001445155254 1066540834 /nfs/dbraw/zinc/54/08/34/1066540834.db2.gz HYVJJIWNZMXZNX-UHFFFAOYSA-N 0 0 453.564 4.669 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2Cc2ccc(C)s2)o1 ZINC001361207826 1066540894 /nfs/dbraw/zinc/54/08/94/1066540894.db2.gz ZIQKUNWHKSXSFC-UHFFFAOYSA-N 0 0 457.600 4.758 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1cc(CCc2ccccc2)ccn1 ZINC001361207942 1066540962 /nfs/dbraw/zinc/54/09/62/1066540962.db2.gz IBLACAOQPXFMAL-LJQANCHMSA-N 0 0 450.336 4.694 20 0 JJADRN C[C@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)[C@@H]1CNC(=O)OC(C)(C)C ZINC001445158749 1066541053 /nfs/dbraw/zinc/54/10/53/1066541053.db2.gz PFNTYUJPPBRZKY-SUMWQHHRSA-N 0 0 450.377 4.696 20 0 JJADRN C[C@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)[C@H]1CNC(=O)OC(C)(C)C ZINC001445158748 1066541117 /nfs/dbraw/zinc/54/11/17/1066541117.db2.gz PFNTYUJPPBRZKY-GUYCJALGSA-N 0 0 450.377 4.696 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)CC2)cc1 ZINC001456234974 1066541696 /nfs/dbraw/zinc/54/16/96/1066541696.db2.gz BVZLHGMQMYVITQ-UHFFFAOYSA-N 0 0 455.620 4.768 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)CCCC2)c1 ZINC001456237394 1066541856 /nfs/dbraw/zinc/54/18/56/1066541856.db2.gz YKVSLRNEXBBADT-UHFFFAOYSA-N 0 0 451.489 4.664 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccccc2Br)o1 ZINC001361209240 1066542258 /nfs/dbraw/zinc/54/22/58/1066542258.db2.gz QMRNDSCDZWFEDV-UHFFFAOYSA-N 0 0 485.304 4.551 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cnn(CC)c2Br)cc1 ZINC001456238864 1066542215 /nfs/dbraw/zinc/54/22/15/1066542215.db2.gz FAXXPEQUZZWCAH-RBUKOAKNSA-N 0 0 450.377 4.574 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC001456238833 1066542231 /nfs/dbraw/zinc/54/22/31/1066542231.db2.gz DRBMIBWYDIKYAA-URXFXBBRSA-N 0 0 452.530 4.624 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C1CC1 ZINC001456238706 1066542242 /nfs/dbraw/zinc/54/22/42/1066542242.db2.gz DAVSHUDCYJUFBG-NRFANRHFSA-N 0 0 453.336 4.736 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cc1OCC ZINC001445166321 1066542280 /nfs/dbraw/zinc/54/22/80/1066542280.db2.gz SCOSSTUKJLFCNO-NRFANRHFSA-N 0 0 452.595 4.801 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)C2)c1 ZINC001445171769 1066542644 /nfs/dbraw/zinc/54/26/44/1066542644.db2.gz HPAKSZGEEJJSEC-SFHVURJKSA-N 0 0 453.926 4.553 20 0 JJADRN COC[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001456239663 1066542651 /nfs/dbraw/zinc/54/26/51/1066542651.db2.gz BUUUQNMFFHEUJV-DOTOQJQBSA-N 0 0 458.274 4.838 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 ZINC001445171076 1066542673 /nfs/dbraw/zinc/54/26/73/1066542673.db2.gz CJLNTAWDHDAWBL-UHFFFAOYSA-N 0 0 450.340 4.579 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC001456241150 1066543265 /nfs/dbraw/zinc/54/32/65/1066543265.db2.gz KBEUMFVEWJFMFK-JIMJEQGWSA-N 0 0 452.595 4.858 20 0 JJADRN CC(C)(NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1 ZINC001445173963 1066543365 /nfs/dbraw/zinc/54/33/65/1066543365.db2.gz MRUZNCQHEDZEFE-QFIPXVFZSA-N 0 0 453.489 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361210102 1066543328 /nfs/dbraw/zinc/54/33/28/1066543328.db2.gz AQBBCYSZVLAKLG-INIZCTEOSA-N 0 0 471.524 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCc2cccc(C(=O)N(C)C)c2)o1 ZINC001361210111 1066543340 /nfs/dbraw/zinc/54/33/40/1066543340.db2.gz AWBFDCGMPMVBGT-LJQANCHMSA-N 0 0 475.515 4.570 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001445177819 1066543571 /nfs/dbraw/zinc/54/35/71/1066543571.db2.gz SZGSIHNOAUUBJW-JOCHJYFZSA-N 0 0 454.615 4.725 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC001456242480 1066543777 /nfs/dbraw/zinc/54/37/77/1066543777.db2.gz IJUCVXQGGOEXTM-UHFFFAOYSA-N 0 0 452.576 4.776 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)cc2)c(OC)c1 ZINC001445178766 1066543615 /nfs/dbraw/zinc/54/36/15/1066543615.db2.gz YWKPTIZWJLLLHK-QHCPKHFHSA-N 0 0 454.567 4.638 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)c1 ZINC001456243073 1066543863 /nfs/dbraw/zinc/54/38/63/1066543863.db2.gz AEOWGTLWYNXXPL-UHFFFAOYSA-N 0 0 458.530 4.842 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361210601 1066544145 /nfs/dbraw/zinc/54/41/45/1066544145.db2.gz PDUJAXFXDQYKOW-BTYIYWSLSA-N 0 0 470.442 4.778 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)C2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545972480 1066544157 /nfs/dbraw/zinc/54/41/57/1066544157.db2.gz GYWDNAKNCWXXTK-RTBURBONSA-N 0 0 456.635 4.603 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1OC ZINC001456245592 1066544731 /nfs/dbraw/zinc/54/47/31/1066544731.db2.gz MVVWLDZPSCSLNV-ZDUSSCGKSA-N 0 0 451.420 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]4CCC[C@H]43)n2CCSCCCO)cc1Br ZINC001361211177 1066544985 /nfs/dbraw/zinc/54/49/85/1066544985.db2.gz YTBDIXRPZLGPPH-VQIMIIECSA-N 0 0 465.461 4.510 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCCOC(C)C)cc1Br ZINC001361211145 1066545059 /nfs/dbraw/zinc/54/50/59/1066545059.db2.gz YHLXEGDPPLHTRK-HSZRJFAPSA-N 0 0 477.447 4.838 20 0 JJADRN COC(=O)CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(C)C ZINC001456246191 1066545146 /nfs/dbraw/zinc/54/51/46/1066545146.db2.gz GRGJSMFOPGUKKM-UHFFFAOYSA-N 0 0 456.546 4.560 20 0 JJADRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)C1 ZINC001445210082 1066545198 /nfs/dbraw/zinc/54/51/98/1066545198.db2.gz PZRDDWXARLSSMQ-VYUPXQACSA-N 0 0 450.029 4.858 20 0 JJADRN COc1ccc(COCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC001456248005 1066545632 /nfs/dbraw/zinc/54/56/32/1066545632.db2.gz VYAGEKOVIQKLDV-UHFFFAOYSA-N 0 0 451.376 4.591 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C ZINC001456248063 1066545735 /nfs/dbraw/zinc/54/57/35/1066545735.db2.gz DHOPCFWCRUAGPT-KGLIPLIRSA-N 0 0 458.475 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@](C)(O)C2CCCCC2)o1 ZINC001361211974 1066545902 /nfs/dbraw/zinc/54/59/02/1066545902.db2.gz FDKPNQFGMZILAQ-HRFSGMKKSA-N 0 0 485.673 4.557 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001456250138 1066546019 /nfs/dbraw/zinc/54/60/19/1066546019.db2.gz UEIRGWXCELOAMQ-IUZFBFHQSA-N 0 0 450.560 4.694 20 0 JJADRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456251482 1066546084 /nfs/dbraw/zinc/54/60/84/1066546084.db2.gz QEPZTZHZECIUBJ-ODXCJYRJSA-N 0 0 458.301 4.808 20 0 JJADRN CC(C)Nc1ccc(Br)cc1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC001445217333 1066546240 /nfs/dbraw/zinc/54/62/40/1066546240.db2.gz AWEJIPIZKOOOII-UHFFFAOYSA-N 0 0 458.278 4.657 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC001456251477 1066546539 /nfs/dbraw/zinc/54/65/39/1066546539.db2.gz WIXUKBQOIAMBHY-LEWJYISDSA-N 0 0 454.596 4.761 20 0 JJADRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001456250700 1066546621 /nfs/dbraw/zinc/54/66/21/1066546621.db2.gz ZCASQPICHYSXHS-FTGWLVSGSA-N 0 0 463.569 4.572 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3NC(C)C)c2)cc1 ZINC001445227292 1066547064 /nfs/dbraw/zinc/54/70/64/1066547064.db2.gz UAIOEZXYKXGZEF-UHFFFAOYSA-N 0 0 457.527 4.708 20 0 JJADRN CSc1ccc(N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001456254231 1066547619 /nfs/dbraw/zinc/54/76/19/1066547619.db2.gz OVOAIYXWIQKTHT-KRWDZBQOSA-N 0 0 452.363 4.583 20 0 JJADRN CC(C)Nc1ccc(Br)cc1NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC001445229532 1066547552 /nfs/dbraw/zinc/54/75/52/1066547552.db2.gz ZXVPBOFZZXWCGW-UHFFFAOYSA-N 0 0 450.324 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CCCNC(=O)C2CCC2)cc1Br ZINC001361213176 1066547795 /nfs/dbraw/zinc/54/77/95/1066547795.db2.gz UFWZODRVMLGMIE-INIZCTEOSA-N 0 0 474.447 4.559 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](c4ccnn4C)C3)n2CCOC(C)C)cc1Br ZINC001361212961 1066547838 /nfs/dbraw/zinc/54/78/38/1066547838.db2.gz QXADFCYMBGNGMT-IBGZPJMESA-N 0 0 487.446 4.559 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3cccc(CSC4CCOCC4)c3)c21 ZINC001456256237 1066547963 /nfs/dbraw/zinc/54/79/63/1066547963.db2.gz PKGMSNMLURUUEE-UHFFFAOYSA-N 0 0 450.486 4.652 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cccc(C)c2I)cc1)C(C)C ZINC001456255561 1066547998 /nfs/dbraw/zinc/54/79/98/1066547998.db2.gz WKXHNMNBBUPQLY-UHFFFAOYSA-N 0 0 450.320 4.609 20 0 JJADRN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(OCc2ccccc2Br)c1 ZINC001456261241 1066548315 /nfs/dbraw/zinc/54/83/15/1066548315.db2.gz ZNHLBOPMHRFHKV-PKTZIBPZSA-N 0 0 452.348 4.806 20 0 JJADRN O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001456256375 1066548326 /nfs/dbraw/zinc/54/83/26/1066548326.db2.gz UOKVJNXIUUTXJO-LJQANCHMSA-N 0 0 459.926 4.942 20 0 JJADRN O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001456256372 1066548442 /nfs/dbraw/zinc/54/84/42/1066548442.db2.gz UOKVJNXIUUTXJO-IBGZPJMESA-N 0 0 459.926 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2CCC(F)(F)CC2)o1 ZINC001361213770 1066548627 /nfs/dbraw/zinc/54/86/27/1066548627.db2.gz AIZCQADRYUXRMA-LJQANCHMSA-N 0 0 463.573 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@](C)(O)C2CCCCC2)o1 ZINC001361213830 1066548673 /nfs/dbraw/zinc/54/86/73/1066548673.db2.gz BNKCHWVPOZDBCF-GCJKJVERSA-N 0 0 470.536 4.726 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[C@@H]2CCCCO2)o1 ZINC001361213778 1066548719 /nfs/dbraw/zinc/54/87/19/1066548719.db2.gz AOASMSJMXDQLGC-ZWKOTPCHSA-N 0 0 456.509 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262852 1066548845 /nfs/dbraw/zinc/54/88/45/1066548845.db2.gz FLSAOKCZKBNGCH-NUEKZKHPSA-N 0 0 453.860 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262847 1066548916 /nfs/dbraw/zinc/54/89/16/1066548916.db2.gz FLSAOKCZKBNGCH-CWRNSKLLSA-N 0 0 453.860 4.952 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1cc(Cl)ccc1Br ZINC001456265503 1066549390 /nfs/dbraw/zinc/54/93/90/1066549390.db2.gz FQUJWWXFVCRGQD-UHFFFAOYSA-N 0 0 451.792 4.530 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(OC(C)C)CC1)Oc1ccccc1F ZINC001545973154 1066549704 /nfs/dbraw/zinc/54/97/04/1066549704.db2.gz TXYCMYOHIXHLTE-HXUWFJFHSA-N 0 0 453.562 4.731 20 0 JJADRN Cc1sc2ncn(CCC(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)c(=O)c2c1C ZINC001456266121 1066549822 /nfs/dbraw/zinc/54/98/22/1066549822.db2.gz OTGUPICOMCFWGS-HNNXBMFYSA-N 0 0 458.889 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001456267966 1066550144 /nfs/dbraw/zinc/55/01/44/1066550144.db2.gz BMOUBEQCQNKIHN-QGZVFWFLSA-N 0 0 455.368 4.509 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1ccc(N2CCCC2)nn1 ZINC001456268123 1066550328 /nfs/dbraw/zinc/55/03/28/1066550328.db2.gz GSMKGTDCIVDENR-UHFFFAOYSA-N 0 0 453.340 4.562 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361214593 1066550608 /nfs/dbraw/zinc/55/06/08/1066550608.db2.gz SKKIFANOORGQSQ-GOSISDBHSA-N 0 0 475.634 4.934 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)c2ccccc21 ZINC001456268940 1066550848 /nfs/dbraw/zinc/55/08/48/1066550848.db2.gz QLABKTOYGCIKFJ-JTDSTZFVSA-N 0 0 456.505 4.922 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC001445269591 1066550909 /nfs/dbraw/zinc/55/09/09/1066550909.db2.gz HAFSJLLCDWZRME-LJQANCHMSA-N 0 0 454.621 4.808 20 0 JJADRN CCOCCC1(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)CCCC1 ZINC001456269915 1066551123 /nfs/dbraw/zinc/55/11/23/1066551123.db2.gz LPCKBUUXVHLFFG-UHFFFAOYSA-N 0 0 451.535 4.864 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCNc2ccccn2)o1 ZINC001361214645 1066551288 /nfs/dbraw/zinc/55/12/88/1066551288.db2.gz UEZFQUJLPFNYCB-HXUWFJFHSA-N 0 0 495.628 4.579 20 0 JJADRN CO[C@H](C)c1nc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cs1 ZINC001445273405 1066551247 /nfs/dbraw/zinc/55/12/47/1066551247.db2.gz OZFUVHINJRBGRN-LLVKDONJSA-N 0 0 452.399 4.595 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)CC2=O)c1 ZINC001445272918 1066551415 /nfs/dbraw/zinc/55/14/15/1066551415.db2.gz LXUBXFBYNGLKOQ-IFMALSPDSA-N 0 0 450.604 4.806 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1ccccc1NCc1ccco1 ZINC001456270123 1066551440 /nfs/dbraw/zinc/55/14/40/1066551440.db2.gz OATJXBXTZIUXKI-UHFFFAOYSA-N 0 0 459.468 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCS2)o1 ZINC001361214756 1066551629 /nfs/dbraw/zinc/55/16/29/1066551629.db2.gz WNYJXWPILQERQK-ROUUACIJSA-N 0 0 461.632 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCSC2)o1 ZINC001361214744 1066551764 /nfs/dbraw/zinc/55/17/64/1066551764.db2.gz WJXYSYRTZINGOL-RBUKOAKNSA-N 0 0 475.659 4.731 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cccs1 ZINC001445276627 1066551851 /nfs/dbraw/zinc/55/18/51/1066551851.db2.gz QNCFHNCNUKMGBY-MRXNPFEDSA-N 0 0 450.482 4.771 20 0 JJADRN Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC3)c1 ZINC001361216121 1066552512 /nfs/dbraw/zinc/55/25/12/1066552512.db2.gz WXJZZWNPTVESFH-SFHVURJKSA-N 0 0 456.512 4.929 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](c4ccccc4)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361216939 1066552558 /nfs/dbraw/zinc/55/25/58/1066552558.db2.gz BYLXFCIISJHPOI-XXBNENTESA-N 0 0 495.624 4.975 20 0 JJADRN CC[C@@H](CNC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1)Oc1ccccc1C(F)(F)F ZINC001445282276 1066552826 /nfs/dbraw/zinc/55/28/26/1066552826.db2.gz BULISBUHZNROTH-PGRDOPGGSA-N 0 0 450.501 4.883 20 0 JJADRN COc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)ccc1Br ZINC001456275607 1066553434 /nfs/dbraw/zinc/55/34/34/1066553434.db2.gz FRLCWFGQTIUTBY-QGZVFWFLSA-N 0 0 455.393 4.661 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](c3cccnc3)C(C)C)ccc2C)c1 ZINC001445287890 1066553945 /nfs/dbraw/zinc/55/39/45/1066553945.db2.gz MNQUKIQZOCGKNG-QHCPKHFHSA-N 0 0 451.592 4.669 20 0 JJADRN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)COc3ccc(Br)cc3)n2)c1 ZINC001445290412 1066554271 /nfs/dbraw/zinc/55/42/71/1066554271.db2.gz WRILCZBPOYMGJE-HXUWFJFHSA-N 0 0 456.340 4.590 20 0 JJADRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)COc3ccc(Br)cc3)n2)c1 ZINC001445290401 1066554366 /nfs/dbraw/zinc/55/43/66/1066554366.db2.gz WRILCZBPOYMGJE-FQEVSTJZSA-N 0 0 456.340 4.590 20 0 JJADRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)n2)c1 ZINC001445289564 1066554470 /nfs/dbraw/zinc/55/44/70/1066554470.db2.gz XVUXFCVSTBKYNS-JUXOCIIHSA-N 0 0 468.598 4.642 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545973345 1066554507 /nfs/dbraw/zinc/55/45/07/1066554507.db2.gz XMXZHBMXINOSBU-CTNGQTDRSA-N 0 0 496.656 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc2C1 ZINC001456278777 1066554477 /nfs/dbraw/zinc/55/44/77/1066554477.db2.gz NCPKBHLAKXHFNP-HSZRJFAPSA-N 0 0 452.551 4.790 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccsc4)CC3)n2CCCC(F)(F)F)o1 ZINC001361218210 1066554580 /nfs/dbraw/zinc/55/45/80/1066554580.db2.gz PSMSZQXTDUCTLV-UHFFFAOYSA-N 0 0 467.517 4.603 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccccc4F)CC3)n2CCCCOC(C)C)o1 ZINC001361218180 1066554673 /nfs/dbraw/zinc/55/46/73/1066554673.db2.gz ONSOBXKXAZEFDF-UHFFFAOYSA-N 0 0 483.588 4.543 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1-c1ccc(F)cc1 ZINC001456281258 1066554840 /nfs/dbraw/zinc/55/48/40/1066554840.db2.gz IIPSTNUAMRIALI-QGZVFWFLSA-N 0 0 458.484 4.574 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)ccc1C ZINC001456282386 1066554898 /nfs/dbraw/zinc/55/48/98/1066554898.db2.gz UHNXAOCRQYSXJY-WYMLVPIESA-N 0 0 455.605 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2Cc2cccc(C(C)(F)F)c2)o1 ZINC001361218545 1066555055 /nfs/dbraw/zinc/55/50/55/1066555055.db2.gz UMCUNRGETNXTQG-UHFFFAOYSA-N 0 0 471.552 4.701 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3)n2CCCN(C)CC(F)(F)F)cc1Br ZINC001361219145 1066555711 /nfs/dbraw/zinc/55/57/11/1066555711.db2.gz UFSHIBKXBXYBLO-UHFFFAOYSA-N 0 0 460.342 4.500 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001456285740 1066555837 /nfs/dbraw/zinc/55/58/37/1066555837.db2.gz ZZJYXKFRVAMGHO-UHFFFAOYSA-N 0 0 455.580 4.951 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1csc(-c2c(F)cccc2F)n1 ZINC001456286392 1066555849 /nfs/dbraw/zinc/55/58/49/1066555849.db2.gz VIBAASWFXRKFGB-LBPRGKRZSA-N 0 0 451.445 4.698 20 0 JJADRN O=C(NC[C@@H]1CSCCS1)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001445300625 1066555921 /nfs/dbraw/zinc/55/59/21/1066555921.db2.gz YTJUUFGXJNGBAE-CRAIPNDOSA-N 0 0 456.402 4.673 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CCOCC1 ZINC001456289411 1066556198 /nfs/dbraw/zinc/55/61/98/1066556198.db2.gz VGOUMHRNVWUCBC-DVQDXYAYSA-N 0 0 457.596 4.962 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC001456288275 1066556367 /nfs/dbraw/zinc/55/63/67/1066556367.db2.gz YZOPYANCRLXCLR-XMMPIXPASA-N 0 0 459.428 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1Br ZINC001361219200 1066556265 /nfs/dbraw/zinc/55/62/65/1066556265.db2.gz VOHUKYJRUFGDST-MRXNPFEDSA-N 0 0 497.503 4.856 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3cccc(CS(=O)(=O)C(C)C)c3)cc2)c1 ZINC001456294543 1066556635 /nfs/dbraw/zinc/55/66/35/1066556635.db2.gz RLJCXLYDPDXKRA-UHFFFAOYSA-N 0 0 451.544 4.502 20 0 JJADRN O=C(Nc1ccc(F)cc1OC(F)F)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001361220063 1066556656 /nfs/dbraw/zinc/55/66/56/1066556656.db2.gz CKKHHDUTLDFEFI-LBPRGKRZSA-N 0 0 458.383 4.519 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001456291301 1066556676 /nfs/dbraw/zinc/55/66/76/1066556676.db2.gz YLEQSLYPXVUXLB-GOSISDBHSA-N 0 0 459.974 4.842 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2CCOCCC(C)C)o1 ZINC001361219885 1066556914 /nfs/dbraw/zinc/55/69/14/1066556914.db2.gz UGSSDGDYXVHHKU-UHFFFAOYSA-N 0 0 486.016 4.525 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2Cc2cccc(C(F)(F)F)c2)o1 ZINC001361219793 1066556949 /nfs/dbraw/zinc/55/69/49/1066556949.db2.gz QAOPZYVDRGRNOB-UHFFFAOYSA-N 0 0 475.515 4.608 20 0 JJADRN CCCc1nc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)nn1-c1ccccc1F ZINC001456296294 1066557497 /nfs/dbraw/zinc/55/74/97/1066557497.db2.gz IETQMIWYTIATRJ-UHFFFAOYSA-N 0 0 456.884 4.649 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(SC(F)(F)F)o2)ccn1 ZINC001445331329 1066557691 /nfs/dbraw/zinc/55/76/91/1066557691.db2.gz LYPQMXOFEBHKGT-UHFFFAOYSA-N 0 0 451.426 4.999 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445330140 1066557853 /nfs/dbraw/zinc/55/78/53/1066557853.db2.gz KUUWCPLHAOPEOD-VWLOTQADSA-N 0 0 454.571 4.771 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973847 1066558219 /nfs/dbraw/zinc/55/82/19/1066558219.db2.gz JRZHWCOMWPWZQT-PZJWPPBQSA-N 0 0 458.331 4.502 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973848 1066558274 /nfs/dbraw/zinc/55/82/74/1066558274.db2.gz JRZHWCOMWPWZQT-TZIWHRDSSA-N 0 0 458.331 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361220841 1066558480 /nfs/dbraw/zinc/55/84/80/1066558480.db2.gz GKDFKJSFDDHUMY-CJFMBICVSA-N 0 0 471.671 4.978 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccccc2OC(F)F)o1 ZINC001361221014 1066558991 /nfs/dbraw/zinc/55/89/91/1066558991.db2.gz LNXDXDPHSQUDLD-UHFFFAOYSA-N 0 0 489.523 4.553 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2(CC(C)C)CC2)cc1Br ZINC001361221090 1066559520 /nfs/dbraw/zinc/55/95/20/1066559520.db2.gz NJVOALOJBQLJFT-KRWDZBQOSA-N 0 0 474.447 4.509 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC001456308676 1066560256 /nfs/dbraw/zinc/56/02/56/1066560256.db2.gz WOXSLNDIIMBJFB-HXUWFJFHSA-N 0 0 458.942 4.549 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Cc1ccc(Cl)cc1Cl ZINC001456308778 1066560313 /nfs/dbraw/zinc/56/03/13/1066560313.db2.gz WZJXKMZADXUSLW-LJQANCHMSA-N 0 0 458.389 4.843 20 0 JJADRN Cc1cccc(CC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1Br ZINC001445345502 1066560539 /nfs/dbraw/zinc/56/05/39/1066560539.db2.gz HZDHJWIPNIVDDL-KRWDZBQOSA-N 0 0 450.682 4.520 20 0 JJADRN O=C(Cc1ccc(F)c(Br)c1)Nc1nc2ccccc2n1CCc1ccccn1 ZINC001361221840 1066560663 /nfs/dbraw/zinc/56/06/63/1066560663.db2.gz KSHQQHXNPLJKTD-UHFFFAOYSA-N 0 0 453.315 4.757 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)c1ccc(I)c(Cl)c1 ZINC001456310747 1066560806 /nfs/dbraw/zinc/56/08/06/1066560806.db2.gz WVFJGCQLGGIBKY-UHFFFAOYSA-N 0 0 450.103 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4cccc(F)c4F)CC3)n2CCSC(F)(F)F)o1 ZINC001361222361 1066560956 /nfs/dbraw/zinc/56/09/56/1066560956.db2.gz AGYCOMYPDRZKFC-UHFFFAOYSA-N 0 0 473.471 4.704 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)c1 ZINC001456315365 1066561118 /nfs/dbraw/zinc/56/11/18/1066561118.db2.gz RSQOZXFAGOSETJ-UHFFFAOYSA-N 0 0 458.555 4.913 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001456314724 1066561287 /nfs/dbraw/zinc/56/12/87/1066561287.db2.gz BFYCQYTTZGETRR-UHFFFAOYSA-N 0 0 458.299 4.868 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)c1csc(I)c1 ZINC001456315315 1066561312 /nfs/dbraw/zinc/56/13/12/1066561312.db2.gz BHEFLLGVUVCGFF-UHFFFAOYSA-N 0 0 450.301 4.622 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1cccc(Br)c1C ZINC001361223241 1066561437 /nfs/dbraw/zinc/56/14/37/1066561437.db2.gz ICODAXOFIWLWGC-UHFFFAOYSA-N 0 0 455.190 4.990 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001445356539 1066561764 /nfs/dbraw/zinc/56/17/64/1066561764.db2.gz YRAPWONZKXTEHT-UHFFFAOYSA-N 0 0 457.901 4.534 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCO[C@@H](C)c2ccccc2)o1 ZINC001361223894 1066561977 /nfs/dbraw/zinc/56/19/77/1066561977.db2.gz BQBUICYXBLGZHP-IBGZPJMESA-N 0 0 477.531 4.699 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCC4(CCOCC4)CC3)ccc2C)c1 ZINC001445359225 1066562158 /nfs/dbraw/zinc/56/21/58/1066562158.db2.gz OMYNEWGSAAXWRZ-UHFFFAOYSA-N 0 0 456.608 4.573 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2cc(I)c(Cl)cc2Cl)cc1 ZINC001456320179 1066562090 /nfs/dbraw/zinc/56/20/90/1066562090.db2.gz OMDOSXBZRVKDBF-OAQYLSRUSA-N 0 0 454.116 4.588 20 0 JJADRN Cc1ccc(SC2(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CCCC2)cc1 ZINC001456320299 1066562201 /nfs/dbraw/zinc/56/22/01/1066562201.db2.gz HYSIHQXQXAJXOM-HXUWFJFHSA-N 0 0 459.633 4.991 20 0 JJADRN O=Cc1cn(CC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c2ccccc12 ZINC001445360335 1066562238 /nfs/dbraw/zinc/56/22/38/1066562238.db2.gz RKBNMLININJTPB-UHFFFAOYSA-N 0 0 451.935 4.737 20 0 JJADRN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363893 1066562615 /nfs/dbraw/zinc/56/26/15/1066562615.db2.gz HJWQLISCYSWOMX-WZONZLPQSA-N 0 0 450.608 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCc2ccccc2C(F)(F)F)o1 ZINC001361224396 1066562888 /nfs/dbraw/zinc/56/28/88/1066562888.db2.gz SOKQOGCBEGUSMX-GOSISDBHSA-N 0 0 489.542 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C)CCC2)cc1Br ZINC001361224437 1066562994 /nfs/dbraw/zinc/56/29/94/1066562994.db2.gz UKMTUSAJUFYTRV-UHFFFAOYSA-N 0 0 486.380 4.891 20 0 JJADRN C[C@@H]1CCN(C(=O)[C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445366036 1066563120 /nfs/dbraw/zinc/56/31/20/1066563120.db2.gz KLVGMDKRBIJOCA-KOSHJBKYSA-N 0 0 450.579 4.577 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(-c2ccccc2)c1C(F)F ZINC001456330610 1066563747 /nfs/dbraw/zinc/56/37/47/1066563747.db2.gz DCQOPOWIWYPNGW-OAHLLOKOSA-N 0 0 450.411 4.837 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(OCCOC)cc2Cl)CC1 ZINC001456330213 1066563930 /nfs/dbraw/zinc/56/39/30/1066563930.db2.gz LFGVDKCTUZVUDV-QFIPXVFZSA-N 0 0 452.929 4.553 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 ZINC001456330212 1066563941 /nfs/dbraw/zinc/56/39/41/1066563941.db2.gz BCKMDTWRGBGUKP-SFHVURJKSA-N 0 0 458.475 4.519 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001445371551 1066563833 /nfs/dbraw/zinc/56/38/33/1066563833.db2.gz SJPHWWVEOFBDPB-LJQANCHMSA-N 0 0 458.477 4.786 20 0 JJADRN Cc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1NC(=O)c1ccc(Br)cc1 ZINC000032488539 1066563950 /nfs/dbraw/zinc/56/39/50/1066563950.db2.gz ZWRJZGGTRCVLAX-UHFFFAOYSA-N 0 0 485.407 4.707 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)c2)c1 ZINC001445375130 1066564453 /nfs/dbraw/zinc/56/44/53/1066564453.db2.gz ZHMFUOPVRAPOES-FQEVSTJZSA-N 0 0 454.514 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCSC(C)C)cc1Br ZINC001361226836 1066565034 /nfs/dbraw/zinc/56/50/34/1066565034.db2.gz ABXIFFOFOBSIBB-UHFFFAOYSA-N 0 0 453.450 4.773 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001456338672 1066565430 /nfs/dbraw/zinc/56/54/30/1066565430.db2.gz OPAQFCNRAKQNBB-NQIIRXRSSA-N 0 0 455.599 4.677 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ccsc2)cc1Br ZINC001361227133 1066565379 /nfs/dbraw/zinc/56/53/79/1066565379.db2.gz GYEGCPAIMIDCAE-IBGZPJMESA-N 0 0 461.429 4.987 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@H]2CCO[C@H](C)C2)cc1Br ZINC001361227282 1066565400 /nfs/dbraw/zinc/56/54/00/1066565400.db2.gz JRIBJAVIYICVON-MSOLQXFVSA-N 0 0 477.447 4.836 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545974652 1066565389 /nfs/dbraw/zinc/56/53/89/1066565389.db2.gz CKOGBTBBYCAXLW-MSOLQXFVSA-N 0 0 452.603 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C2(CCCCC2)C1 ZINC001456340152 1066565873 /nfs/dbraw/zinc/56/58/73/1066565873.db2.gz QCQBUWQYKNDIBK-JOCHJYFZSA-N 0 0 458.599 4.640 20 0 JJADRN CC(C)(C)N1C[C@@H](NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1=O ZINC001445387758 1066566216 /nfs/dbraw/zinc/56/62/16/1066566216.db2.gz FOMSPHQSJVFZBR-KRWDZBQOSA-N 0 0 453.970 4.503 20 0 JJADRN CC[C@@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(C(F)(F)F)c1 ZINC001445390301 1066566222 /nfs/dbraw/zinc/56/62/22/1066566222.db2.gz JQQCYUAHCQZEJH-SFHVURJKSA-N 0 0 456.505 4.936 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1Cl ZINC001456346888 1066566766 /nfs/dbraw/zinc/56/67/66/1066566766.db2.gz XLDORBSHQSOSQR-MRXNPFEDSA-N 0 0 455.407 4.528 20 0 JJADRN Cc1ccc2nc(C(=O)N(c3ccccc3F)C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1 ZINC001456348431 1066566925 /nfs/dbraw/zinc/56/69/25/1066566925.db2.gz BGLANQLLUKOUCD-UHFFFAOYSA-N 0 0 452.530 4.828 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC001361228330 1066566949 /nfs/dbraw/zinc/56/69/49/1066566949.db2.gz PJJQYIRYEXUMJM-UHFFFAOYSA-N 0 0 458.530 4.845 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001445400599 1066567001 /nfs/dbraw/zinc/56/70/01/1066567001.db2.gz FFMDNZCHCVHVGE-LJQANCHMSA-N 0 0 458.356 4.825 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361228537 1066567393 /nfs/dbraw/zinc/56/73/93/1066567393.db2.gz AYOOGRXTAKMYDD-OAQYLSRUSA-N 0 0 499.587 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)n2CCCOCC(F)F)o1 ZINC001361228581 1066567584 /nfs/dbraw/zinc/56/75/84/1066567584.db2.gz BUAANUFGFKHQHY-LJQANCHMSA-N 0 0 484.906 4.889 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4cccc(Br)c4)C3)n2CC(F)(F)F)o1 ZINC001361228966 1066568096 /nfs/dbraw/zinc/56/80/96/1066568096.db2.gz JSDRLLIMSNVBTE-MRXNPFEDSA-N 0 0 471.277 4.749 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC4(CCCCC4)C3)n2CCOCC(F)F)cc1Br ZINC001361229022 1066568162 /nfs/dbraw/zinc/56/81/62/1066568162.db2.gz LBSRSHCUANNZAE-UHFFFAOYSA-N 0 0 499.400 4.837 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545974790 1066568058 /nfs/dbraw/zinc/56/80/58/1066568058.db2.gz FKELFTDZKUILHS-CTNGQTDRSA-N 0 0 482.604 4.785 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545974792 1066568163 /nfs/dbraw/zinc/56/81/63/1066568163.db2.gz FKELFTDZKUILHS-PZJWPPBQSA-N 0 0 482.604 4.785 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545974791 1066568227 /nfs/dbraw/zinc/56/82/27/1066568227.db2.gz FKELFTDZKUILHS-FPOVZHCZSA-N 0 0 482.604 4.785 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c2ccccc21 ZINC001456355134 1066568170 /nfs/dbraw/zinc/56/81/70/1066568170.db2.gz AGKLRXSRMLUNFJ-KRWDZBQOSA-N 0 0 455.436 4.659 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445410452 1066568281 /nfs/dbraw/zinc/56/82/81/1066568281.db2.gz CSWYXRFOGCBAAM-JOCHJYFZSA-N 0 0 454.979 4.906 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001445408119 1066568386 /nfs/dbraw/zinc/56/83/86/1066568386.db2.gz HZISSLDALYBPNF-YFOSEYIMSA-N 0 0 451.485 4.794 20 0 JJADRN CS(=O)(=O)c1ccc(CCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc1 ZINC001361229395 1066568603 /nfs/dbraw/zinc/56/86/03/1066568603.db2.gz DIGLFIFUDUZXGH-UHFFFAOYSA-N 0 0 457.592 4.987 20 0 JJADRN CN(C(=O)[C@H]1CCCn2ncnc21)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419208 1066568865 /nfs/dbraw/zinc/56/88/65/1066568865.db2.gz UCKOSEIKILJXSN-OALUTQOASA-N 0 0 459.775 4.819 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)cc2)n1 ZINC001456355405 1066568831 /nfs/dbraw/zinc/56/88/31/1066568831.db2.gz HFKSPXUDOHALJV-UHFFFAOYSA-N 0 0 458.543 4.529 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545974821 1066568937 /nfs/dbraw/zinc/56/89/37/1066568937.db2.gz FYVLZEOSAKBBKO-FGZHOGPDSA-N 0 0 494.640 4.762 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001456359000 1066569432 /nfs/dbraw/zinc/56/94/32/1066569432.db2.gz KAVVPBFWMJUMHV-OITFXXTJSA-N 0 0 458.990 4.803 20 0 JJADRN CC1(C)CN(C(=O)[C@H]2CCOc3c(F)cccc32)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359124 1066569445 /nfs/dbraw/zinc/56/94/45/1066569445.db2.gz KOVBOSJKRGMHRO-RXVVDRJESA-N 0 0 459.638 4.810 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001445420621 1066569338 /nfs/dbraw/zinc/56/93/38/1066569338.db2.gz IIWCVCAVIFAFJO-SFHVURJKSA-N 0 0 459.455 4.993 20 0 JJADRN CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001445422658 1066569465 /nfs/dbraw/zinc/56/94/65/1066569465.db2.gz ZAIDDLYDEAFKLV-QFIPXVFZSA-N 0 0 455.327 4.566 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cl)c(I)c1)Oc1ccccc1Cl ZINC001361230308 1066569573 /nfs/dbraw/zinc/56/95/73/1066569573.db2.gz RJIPDQFWASPVDB-JTQLQIEISA-N 0 0 450.103 4.795 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456360334 1066570224 /nfs/dbraw/zinc/57/02/24/1066570224.db2.gz MDZNQJWUNYTTJU-CQSZACIVSA-N 0 0 457.423 4.773 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2)c1 ZINC001456360407 1066570365 /nfs/dbraw/zinc/57/03/65/1066570365.db2.gz MVNZOLNYVLJCJF-UHFFFAOYSA-N 0 0 456.498 4.903 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@H]2CCCS2)cc1Br ZINC001361231115 1066570331 /nfs/dbraw/zinc/57/03/31/1066570331.db2.gz LPOKBXLNAVJSPD-GDBMZVCRSA-N 0 0 453.475 4.853 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccccc1OCc1ccccc1 ZINC001456361195 1066570830 /nfs/dbraw/zinc/57/08/30/1066570830.db2.gz BNMFDXKYJHTTFL-BUHFOSPRSA-N 0 0 456.542 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC001445433139 1066570864 /nfs/dbraw/zinc/57/08/64/1066570864.db2.gz VPIGUDSARZVBEI-UHFFFAOYSA-N 0 0 459.587 4.560 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361231125 1066571000 /nfs/dbraw/zinc/57/10/00/1066571000.db2.gz LSQUNDJPEOYGTR-UYAOXDASSA-N 0 0 477.472 4.939 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361231162 1066571040 /nfs/dbraw/zinc/57/10/40/1066571040.db2.gz MTOCJNYDMWEHFP-GZRVVXPKSA-N 0 0 497.528 4.647 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)c2)c1 ZINC001456362420 1066571338 /nfs/dbraw/zinc/57/13/38/1066571338.db2.gz JQFAQWFWGBEEKY-UHFFFAOYSA-N 0 0 458.558 4.536 20 0 JJADRN COCc1cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC001456364416 1066571764 /nfs/dbraw/zinc/57/17/64/1066571764.db2.gz PCGVSUFYCOONML-RTWAWAEBSA-N 0 0 476.976 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361231672 1066571966 /nfs/dbraw/zinc/57/19/66/1066571966.db2.gz SJXTVBCCPNBDTH-PXNSSMCTSA-N 0 0 477.675 4.927 20 0 JJADRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001445441063 1066571934 /nfs/dbraw/zinc/57/19/34/1066571934.db2.gz NHUFFWURXVCSLF-IBGZPJMESA-N 0 0 450.560 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231725 1066571987 /nfs/dbraw/zinc/57/19/87/1066571987.db2.gz SYEKGLDSJSQPEH-IAGOWNOFSA-N 0 0 472.456 4.984 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001445441710 1066572142 /nfs/dbraw/zinc/57/21/42/1066572142.db2.gz RCGONEYQMPIKHK-RTBURBONSA-N 0 0 453.029 4.853 20 0 JJADRN CCc1nc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Br)c2)nn1-c1ccccc1 ZINC001445440647 1066572157 /nfs/dbraw/zinc/57/21/57/1066572157.db2.gz UEAOTEQANSXCKI-UHFFFAOYSA-N 0 0 451.328 4.543 20 0 JJADRN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1coc(S(C)(=O)=O)c1 ZINC001456367646 1066572199 /nfs/dbraw/zinc/57/21/99/1066572199.db2.gz AJXZCYMHEXSAPR-UHFFFAOYSA-N 0 0 455.511 4.981 20 0 JJADRN CC(C)(CNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)Cc1ccccc1 ZINC001456366505 1066572206 /nfs/dbraw/zinc/57/22/06/1066572206.db2.gz COJDTAOFDHVIEE-UHFFFAOYSA-N 0 0 457.603 4.807 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccccc2NC(=O)OC(C)(C)C)o1 ZINC001361231852 1066572341 /nfs/dbraw/zinc/57/23/41/1066572341.db2.gz HYUQYIDYZVUPJY-HDICACEKSA-N 0 0 467.570 4.855 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC2CCN(CC(F)(F)F)CC2)o1 ZINC001361232010 1066572385 /nfs/dbraw/zinc/57/23/85/1066572385.db2.gz VCMFQEIGSBWMHS-IBGZPJMESA-N 0 0 471.593 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445452531 1066572415 /nfs/dbraw/zinc/57/24/15/1066572415.db2.gz FDJMSMOEIYRAFL-LJQANCHMSA-N 0 0 457.398 4.901 20 0 JJADRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001445443904 1066572708 /nfs/dbraw/zinc/57/27/08/1066572708.db2.gz ULWXXJZNBLQBRO-MRXNPFEDSA-N 0 0 456.951 4.877 20 0 JJADRN CSc1nn(C)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1C(N)=O ZINC001456368583 1066572638 /nfs/dbraw/zinc/57/26/38/1066572638.db2.gz BDGYKFYASCEIBP-UHFFFAOYSA-N 0 0 451.335 4.592 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC001456368858 1066572744 /nfs/dbraw/zinc/57/27/44/1066572744.db2.gz CCZHTOCFIAQWSP-KIJZHVTOSA-N 0 0 459.575 4.718 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@](C)(O)c2ccc(F)cc2)o1 ZINC001361232169 1066572767 /nfs/dbraw/zinc/57/27/67/1066572767.db2.gz MSWBEQHSFBBBEE-QKAVXHIFSA-N 0 0 452.452 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCCCO2)cc1Br ZINC001361232515 1066572910 /nfs/dbraw/zinc/57/29/10/1066572910.db2.gz PZVCFSKKLXSNNB-SCTDSRPQSA-N 0 0 463.420 4.589 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)nnn1-c1cccc(C(C)C)c1 ZINC001445454600 1066573213 /nfs/dbraw/zinc/57/32/13/1066573213.db2.gz HLLMRMCHPXOCIE-IBGZPJMESA-N 0 0 454.615 4.927 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456374091 1066573141 /nfs/dbraw/zinc/57/31/41/1066573141.db2.gz MMEIXKYETVMMEB-NESUPFIGSA-N 0 0 458.505 4.790 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccccc2NCCC2=CCCCC2)CCO1 ZINC001445459656 1066573681 /nfs/dbraw/zinc/57/36/81/1066573681.db2.gz HGYPKTWDDMYNLV-XXBNENTESA-N 0 0 457.615 4.743 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccccc2NCCC2=CCCCC2)CCO1 ZINC001445459648 1066573717 /nfs/dbraw/zinc/57/37/17/1066573717.db2.gz HGYPKTWDDMYNLV-WMZHIEFXSA-N 0 0 457.615 4.743 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001445463590 1066573729 /nfs/dbraw/zinc/57/37/29/1066573729.db2.gz MKKOBZXHPSNDMW-UHFFFAOYSA-N 0 0 453.464 4.596 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001456377771 1066573701 /nfs/dbraw/zinc/57/37/01/1066573701.db2.gz PXPJOKVDAKQPOL-INIZCTEOSA-N 0 0 458.521 4.885 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)n2CCCOCC(C)C)o1 ZINC001361232798 1066573950 /nfs/dbraw/zinc/57/39/50/1066573950.db2.gz YLHZONDNBJAWCZ-SFTDATJTSA-N 0 0 487.645 4.745 20 0 JJADRN O=C(C1CCCCC1)N1CC(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001445465414 1066574198 /nfs/dbraw/zinc/57/41/98/1066574198.db2.gz SDEBPJYDZORRJF-UHFFFAOYSA-N 0 0 453.410 4.540 20 0 JJADRN COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)c1ccccc1Nc1cccc(C)c1C)C(=O)N2 ZINC001456383243 1066574362 /nfs/dbraw/zinc/57/43/62/1066574362.db2.gz GGRCAWLRVVMNSW-XMMPIXPASA-N 0 0 457.530 4.517 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(Cl)c1F ZINC001456382852 1066574407 /nfs/dbraw/zinc/57/44/07/1066574407.db2.gz WOQMGVURHASLBE-QGZVFWFLSA-N 0 0 454.876 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001456382130 1066574501 /nfs/dbraw/zinc/57/45/01/1066574501.db2.gz COOCEPPSDGWJKL-SANMLTNESA-N 0 0 456.558 4.853 20 0 JJADRN C[C@@H](C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)N(C(=O)OC(C)(C)C)C1CC1 ZINC001445466339 1066574508 /nfs/dbraw/zinc/57/45/08/1066574508.db2.gz VIPADBNZOHRVAM-NSHDSACASA-N 0 0 451.778 4.930 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC001445469059 1066574523 /nfs/dbraw/zinc/57/45/23/1066574523.db2.gz WJEIUQPDEQXNEX-UHFFFAOYSA-N 0 0 459.377 4.958 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1)C2=O ZINC001361234748 1066574844 /nfs/dbraw/zinc/57/48/44/1066574844.db2.gz OEWHFQVSJWPJEU-JYMTWHTKSA-N 0 0 457.615 4.805 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361234680 1066574870 /nfs/dbraw/zinc/57/48/70/1066574870.db2.gz QAHIYRBILUWXLP-OAQYLSRUSA-N 0 0 492.624 4.695 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CC(Cc2ccccc2Cl)C1 ZINC001445472687 1066574965 /nfs/dbraw/zinc/57/49/65/1066574965.db2.gz IPGSEBPOKLZBKU-UHFFFAOYSA-N 0 0 458.942 4.595 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001445469516 1066575100 /nfs/dbraw/zinc/57/51/00/1066575100.db2.gz SXAYTOUGYYRBKI-XLIONFOSSA-N 0 0 451.007 4.683 20 0 JJADRN Cn1c(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc2cc(Br)cnc21 ZINC001445474734 1066575130 /nfs/dbraw/zinc/57/51/30/1066575130.db2.gz HYIRRFLBEMUISU-UHFFFAOYSA-N 0 0 452.274 4.669 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(CC4CCC4)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361234994 1066575302 /nfs/dbraw/zinc/57/53/02/1066575302.db2.gz RTXGYFXLGRXSNL-MRXNPFEDSA-N 0 0 469.590 4.842 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)F)o1 ZINC001361235278 1066575391 /nfs/dbraw/zinc/57/53/91/1066575391.db2.gz UAOXFNOHKNIBSP-CRAIPNDOSA-N 0 0 493.942 4.696 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOC(C)C)o1 ZINC001361235268 1066575404 /nfs/dbraw/zinc/57/54/04/1066575404.db2.gz TWXUTDCVPOOLNG-OAQYLSRUSA-N 0 0 451.571 4.815 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(F)ccc2I)c1 ZINC001456388778 1066575584 /nfs/dbraw/zinc/57/55/84/1066575584.db2.gz CNPNCKZFWVBOIS-XMMPIXPASA-N 0 0 459.324 4.730 20 0 JJADRN O=C(NCCNc1ccc(-c2ccccc2)nn1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001445479078 1066576027 /nfs/dbraw/zinc/57/60/27/1066576027.db2.gz RPMUZGWATBTANT-UHFFFAOYSA-N 0 0 451.958 4.745 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361235940 1066576255 /nfs/dbraw/zinc/57/62/55/1066576255.db2.gz AWOFPTJZOHIJSL-OAQYLSRUSA-N 0 0 481.597 4.667 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)o1 ZINC001445485401 1066576452 /nfs/dbraw/zinc/57/64/52/1066576452.db2.gz RCBLJNRSMCKRII-PKNBQFBNSA-N 0 0 451.441 4.848 20 0 JJADRN CC[C@H](NC(=O)Cc1cnn(C)c1C)c1ccccc1OCc1ccccc1Br ZINC001456392585 1066576467 /nfs/dbraw/zinc/57/64/67/1066576467.db2.gz DOUOXUPQNKJJNL-NRFANRHFSA-N 0 0 456.384 4.880 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361236400 1066576691 /nfs/dbraw/zinc/57/66/91/1066576691.db2.gz IIUWHOFTJLCKQB-QGZVFWFLSA-N 0 0 465.545 4.949 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(Cc3csc(C)n3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361236036 1066576797 /nfs/dbraw/zinc/57/67/97/1066576797.db2.gz COXXXMCVNUCEAV-SFHVURJKSA-N 0 0 482.576 4.761 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC001456394240 1066577103 /nfs/dbraw/zinc/57/71/03/1066577103.db2.gz QYSGMVNLERAVID-UHFFFAOYSA-N 0 0 451.935 4.752 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N(CCC(C)C)C2CC2)cc1 ZINC001361236783 1066577100 /nfs/dbraw/zinc/57/71/00/1066577100.db2.gz KVVWVGCNBYCKIP-UPVQGACJSA-N 0 0 467.658 4.908 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001361236451 1066577172 /nfs/dbraw/zinc/57/71/72/1066577172.db2.gz JHWBAHNHQHIFAB-FQEVSTJZSA-N 0 0 467.017 4.806 20 0 JJADRN CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001445491202 1066577407 /nfs/dbraw/zinc/57/74/07/1066577407.db2.gz NIKSPTVASGDQFT-IXCJQBJRSA-N 0 0 458.602 4.587 20 0 JJADRN CCC1(CC)CN(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)c2ccc(Br)cc21 ZINC001445491211 1066577501 /nfs/dbraw/zinc/57/75/01/1066577501.db2.gz NLDBGIPTUPNROT-SFHVURJKSA-N 0 0 452.437 4.976 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)no1 ZINC001361237570 1066578123 /nfs/dbraw/zinc/57/81/23/1066578123.db2.gz NKEKHQABRMQBSH-OAHLLOKOSA-N 0 0 450.992 4.514 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361237718 1066578133 /nfs/dbraw/zinc/57/81/33/1066578133.db2.gz RVFRZCRLVYRIFI-QFIPXVFZSA-N 0 0 484.666 4.910 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(Cc3csc(C)n3)n2CCCOCC(F)F)o1 ZINC001361237697 1066578230 /nfs/dbraw/zinc/57/82/30/1066578230.db2.gz RTJAPJVJMVKCIQ-KRWDZBQOSA-N 0 0 451.543 4.549 20 0 JJADRN CC[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Oc1cccc(Cl)c1 ZINC001445503202 1066578376 /nfs/dbraw/zinc/57/83/76/1066578376.db2.gz YYXOQJDEEKNBKY-VWNXMTODSA-N 0 0 450.966 4.655 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC001445502319 1066578395 /nfs/dbraw/zinc/57/83/95/1066578395.db2.gz JIWYOODPCZOEMU-UKRRQHHQSA-N 0 0 458.194 4.751 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001361238002 1066578586 /nfs/dbraw/zinc/57/85/86/1066578586.db2.gz RYUGWIWOSKWQDU-VJTSUQJLSA-N 0 0 481.685 4.866 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001456399210 1066578550 /nfs/dbraw/zinc/57/85/50/1066578550.db2.gz MMSDKMRXYNPING-IAGOWNOFSA-N 0 0 456.446 4.868 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)cs2)cc1 ZINC001545975894 1066578811 /nfs/dbraw/zinc/57/88/11/1066578811.db2.gz BJJIPVBFWWKUOR-OAQYLSRUSA-N 0 0 452.551 4.976 20 0 JJADRN C[C@@H]1CCCC[C@H]1CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001456399215 1066578849 /nfs/dbraw/zinc/57/88/49/1066578849.db2.gz MMSDKMRXYNPING-SJORKVTESA-N 0 0 456.446 4.868 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)o1 ZINC001361238386 1066579173 /nfs/dbraw/zinc/57/91/73/1066579173.db2.gz WCGYIFYALILMDR-OAHLLOKOSA-N 0 0 467.517 4.855 20 0 JJADRN C[C@H](CC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1C(F)(F)F ZINC001445513839 1066579271 /nfs/dbraw/zinc/57/92/71/1066579271.db2.gz ZHNXTWKVRZTBCO-QGZVFWFLSA-N 0 0 450.476 4.642 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001361238629 1066579383 /nfs/dbraw/zinc/57/93/83/1066579383.db2.gz WVQFKURTMKCPTC-GFJKYASSSA-N 0 0 471.696 4.831 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456402251 1066579376 /nfs/dbraw/zinc/57/93/76/1066579376.db2.gz QNAINMUVENXRJC-OKILXGFUSA-N 0 0 453.370 4.649 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1OC ZINC001445515380 1066579697 /nfs/dbraw/zinc/57/96/97/1066579697.db2.gz OWRBFRHFAPCQIF-LPHOPBHVSA-N 0 0 454.542 4.532 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(C)cc3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361238801 1066580129 /nfs/dbraw/zinc/58/01/29/1066580129.db2.gz XVCVZCIEGMDBGP-HXUWFJFHSA-N 0 0 456.612 4.710 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001456408514 1066580409 /nfs/dbraw/zinc/58/04/09/1066580409.db2.gz FKWVXNJQYKUDCJ-IBGZPJMESA-N 0 0 452.501 4.660 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001361238915 1066580393 /nfs/dbraw/zinc/58/03/93/1066580393.db2.gz YWZDLCIESSSHSY-NRFANRHFSA-N 0 0 477.613 4.688 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)c3c(F)cccc3I)CC2)c1 ZINC001445520439 1066580358 /nfs/dbraw/zinc/58/03/58/1066580358.db2.gz YEGNGJSFSWVFDG-UHFFFAOYSA-N 0 0 451.279 4.759 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC001445519354 1066580496 /nfs/dbraw/zinc/58/04/96/1066580496.db2.gz MNDQHOWNWSYMRL-MRXNPFEDSA-N 0 0 454.958 4.516 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)(F)F)o1 ZINC001361239010 1066580742 /nfs/dbraw/zinc/58/07/42/1066580742.db2.gz ZRCGHDGARCGYMV-INIZCTEOSA-N 0 0 485.869 4.659 20 0 JJADRN COc1cccc(C(C)(C)C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c1 ZINC001456410716 1066580844 /nfs/dbraw/zinc/58/08/44/1066580844.db2.gz MQUFUJRPAPAWHS-UHFFFAOYSA-N 0 0 459.333 4.961 20 0 JJADRN COCc1ccc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1F ZINC001456409996 1066580856 /nfs/dbraw/zinc/58/08/56/1066580856.db2.gz HVHIKFLDKCJZMV-UHFFFAOYSA-N 0 0 452.501 4.653 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC001445521585 1066580878 /nfs/dbraw/zinc/58/08/78/1066580878.db2.gz APDXAEPLTHYAJY-FGZHOGPDSA-N 0 0 458.986 4.896 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 ZINC001361239641 1066581221 /nfs/dbraw/zinc/58/12/21/1066581221.db2.gz IISRHEWOKOROTK-BVAGGSTKSA-N 0 0 481.685 4.838 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001456414888 1066581235 /nfs/dbraw/zinc/58/12/35/1066581235.db2.gz RVBSTFNMTYRBCN-QHAWAJNXSA-N 0 0 456.608 4.719 20 0 JJADRN CCc1c(Br)cc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)cc1Br ZINC001456415735 1066581274 /nfs/dbraw/zinc/58/12/74/1066581274.db2.gz WMGDRCNAVZHBBN-INIZCTEOSA-N 0 0 457.162 4.889 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCCO[C@@H](C)C2)c(C)c1 ZINC001361239379 1066581354 /nfs/dbraw/zinc/58/13/54/1066581354.db2.gz DEAVBEWJFZZWFX-SFHVURJKSA-N 0 0 472.431 4.521 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)cc1 ZINC001445524563 1066581540 /nfs/dbraw/zinc/58/15/40/1066581540.db2.gz FHLGYOMNJOJIGP-INIZCTEOSA-N 0 0 453.583 4.818 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)F)cc1 ZINC001361240099 1066581671 /nfs/dbraw/zinc/58/16/71/1066581671.db2.gz NFORXIQCNVQRQJ-HYBUGGRVSA-N 0 0 455.553 4.832 20 0 JJADRN O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001361239900 1066581700 /nfs/dbraw/zinc/58/17/00/1066581700.db2.gz FSRMPATZLVZXAI-UHFFFAOYSA-N 0 0 456.464 4.863 20 0 JJADRN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001361239973 1066581860 /nfs/dbraw/zinc/58/18/60/1066581860.db2.gz GOSOGRODQQAXJU-UHFFFAOYSA-N 0 0 455.440 4.655 20 0 JJADRN Cn1cnc(CCNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1Br ZINC001456422589 1066582065 /nfs/dbraw/zinc/58/20/65/1066582065.db2.gz ASISWVLIYGLBSJ-UHFFFAOYSA-N 0 0 457.372 4.640 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC001445524615 1066582139 /nfs/dbraw/zinc/58/21/39/1066582139.db2.gz GWSGHKZFKOFUGI-FDDCHVKYSA-N 0 0 455.574 4.692 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC(C)C)C(C)C)cc1 ZINC001361240113 1066582195 /nfs/dbraw/zinc/58/21/95/1066582195.db2.gz NHMSTMNGDKHUEO-GPXNEJASSA-N 0 0 453.631 4.576 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456426332 1066582444 /nfs/dbraw/zinc/58/24/44/1066582444.db2.gz FBLJUCSXGOIJBC-ICACTRECSA-N 0 0 452.620 4.759 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1OCc1ccncc1 ZINC001456426262 1066582532 /nfs/dbraw/zinc/58/25/32/1066582532.db2.gz DWDQAHDZDVBOJN-SFHVURJKSA-N 0 0 457.452 4.568 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001445526388 1066582676 /nfs/dbraw/zinc/58/26/76/1066582676.db2.gz LKZKWZYUGAQGHS-INIZCTEOSA-N 0 0 450.539 4.601 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)C2=O)cc1 ZINC001361240986 1066582825 /nfs/dbraw/zinc/58/28/25/1066582825.db2.gz UBVLAKJTZOOHLP-HXUWFJFHSA-N 0 0 451.567 4.847 20 0 JJADRN COc1ccc([C@@H](NC(=O)CSc2ccccc2OC)c2ccc(OC)cc2OC)cc1 ZINC001456429922 1066582969 /nfs/dbraw/zinc/58/29/69/1066582969.db2.gz KGADUHGWGZZXLC-RUZDIDTESA-N 0 0 453.560 4.719 20 0 JJADRN Cn1cnc(CCNC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1Br ZINC001456428597 1066583019 /nfs/dbraw/zinc/58/30/19/1066583019.db2.gz QRCZGSVOEDHJMA-CLFYSBASSA-N 0 0 450.789 4.937 20 0 JJADRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F ZINC001445528276 1066583099 /nfs/dbraw/zinc/58/30/99/1066583099.db2.gz ORQHRGXIQUWZNB-NRFANRHFSA-N 0 0 456.493 4.579 20 0 JJADRN Cc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c(C)c1 ZINC001361241595 1066583253 /nfs/dbraw/zinc/58/32/53/1066583253.db2.gz JROIYXHOVGQOTB-XMMPIXPASA-N 0 0 475.559 4.673 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1 ZINC001456430724 1066583430 /nfs/dbraw/zinc/58/34/30/1066583430.db2.gz MNZXTQGNJSCXFP-DEOSSOPVSA-N 0 0 459.608 4.876 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(C2CCCCC2)n1 ZINC001456430717 1066583545 /nfs/dbraw/zinc/58/35/45/1066583545.db2.gz IBTFIAVPRVZUBV-UHFFFAOYSA-N 0 0 451.592 4.835 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(C)cc2)s1 ZINC001361241682 1066583605 /nfs/dbraw/zinc/58/36/05/1066583605.db2.gz MCFXXKICEZGCAF-UHFFFAOYSA-N 0 0 471.428 4.988 20 0 JJADRN Cc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241665 1066583647 /nfs/dbraw/zinc/58/36/47/1066583647.db2.gz LHLWDDMXYKIBLS-QFIPXVFZSA-N 0 0 478.641 4.576 20 0 JJADRN COc1ccc([C@H](NC(=O)c2coc(-c3ccnc(C)c3)n2)c2ccc(OC)cc2OC)cc1 ZINC001456432460 1066583890 /nfs/dbraw/zinc/58/38/90/1066583890.db2.gz PSRCHSQKVFGAGW-DEOSSOPVSA-N 0 0 459.502 4.590 20 0 JJADRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001456432440 1066583937 /nfs/dbraw/zinc/58/39/37/1066583937.db2.gz JXUMPTSOFXQOFK-BJLQDIEVSA-N 0 0 458.521 4.581 20 0 JJADRN CCN(c1ccc(C(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)cc1)C(C)C ZINC001456433086 1066584220 /nfs/dbraw/zinc/58/42/20/1066584220.db2.gz CDXMGQBNHNPLEM-UHFFFAOYSA-N 0 0 459.631 4.600 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361242612 1066584213 /nfs/dbraw/zinc/58/42/13/1066584213.db2.gz BQAFABRYDDUFKX-DEOSSOPVSA-N 0 0 497.684 4.773 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCCCCO)c(C)c1 ZINC001361243056 1066584684 /nfs/dbraw/zinc/58/46/84/1066584684.db2.gz IJFIANHLECVEDP-UHFFFAOYSA-N 0 0 499.700 4.851 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC001456434486 1066584807 /nfs/dbraw/zinc/58/48/07/1066584807.db2.gz NIAYVNDIPWQRTE-LBPRGKRZSA-N 0 0 450.791 4.849 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001445537844 1066584922 /nfs/dbraw/zinc/58/49/22/1066584922.db2.gz DUZJWVXVBHKIDB-NJDAHSKKSA-N 0 0 458.624 4.846 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 ZINC001545976412 1066584942 /nfs/dbraw/zinc/58/49/42/1066584942.db2.gz NWASRNQJXCOYKL-OAQYLSRUSA-N 0 0 455.555 4.649 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)cc1 ZINC001361243446 1066585206 /nfs/dbraw/zinc/58/52/06/1066585206.db2.gz NHAYENZXCULXAW-IFMALSPDSA-N 0 0 485.698 4.885 20 0 JJADRN Cc1ccc(CCn2c(CC(C)C)nnc2N2CCC(OC[C@H]3CCCCO3)CC2)c(C)c1 ZINC001361243373 1066585249 /nfs/dbraw/zinc/58/52/49/1066585249.db2.gz MRELKHQEIVABOR-RUZDIDTESA-N 0 0 454.659 4.891 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc(Br)cc2N)c1 ZINC001445539653 1066585250 /nfs/dbraw/zinc/58/52/50/1066585250.db2.gz HCGWVJALWNILKY-UHFFFAOYSA-N 0 0 455.308 4.649 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cs1 ZINC001445540157 1066585324 /nfs/dbraw/zinc/58/53/24/1066585324.db2.gz JTCZCUOAWGONOC-OAQYLSRUSA-N 0 0 451.617 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N(Cc3ccc(F)cc3)CC3CC3)o2)CC1 ZINC001456435762 1066585452 /nfs/dbraw/zinc/58/54/52/1066585452.db2.gz ZJTGGNXQLJHGIR-UHFFFAOYSA-N 0 0 457.546 4.981 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2=O)cc1F ZINC001456436306 1066585568 /nfs/dbraw/zinc/58/55/68/1066585568.db2.gz RMXBVRJJLQQTNY-WHUARKNTSA-N 0 0 456.583 4.707 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@H]3C[C@H]3C)ccc2[nH]1 ZINC001445541501 1066585711 /nfs/dbraw/zinc/58/57/11/1066585711.db2.gz OUMWWYJFCBRLIZ-ZBFHGGJFSA-N 0 0 450.539 4.770 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)n1 ZINC001445542551 1066585759 /nfs/dbraw/zinc/58/57/59/1066585759.db2.gz OPHNIXVNGBKVJN-LJQANCHMSA-N 0 0 453.564 4.866 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001361243577 1066585735 /nfs/dbraw/zinc/58/57/35/1066585735.db2.gz OSCGYOVIHVFTBR-VQTJNVASSA-N 0 0 452.521 4.619 20 0 JJADRN Cc1ccc(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)c(C)c1 ZINC001361243924 1066586130 /nfs/dbraw/zinc/58/61/30/1066586130.db2.gz YAPCIRKFNMBERK-FUPPJEDESA-N 0 0 483.657 4.538 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)c2ccccc2Cl)c(OC)c1 ZINC001361244015 1066586141 /nfs/dbraw/zinc/58/61/41/1066586141.db2.gz AEYKSHSFONAOAO-RUZDIDTESA-N 0 0 452.938 4.764 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)c2ccccc2Cl)c(OC)c1 ZINC001361244016 1066586194 /nfs/dbraw/zinc/58/61/94/1066586194.db2.gz AEYKSHSFONAOAO-VWLOTQADSA-N 0 0 452.938 4.764 20 0 JJADRN CCCCc1nc2cc(NC(=O)[C@H]3Cc4ccc(O)cc4N3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001445543059 1066586213 /nfs/dbraw/zinc/58/62/13/1066586213.db2.gz QWETYKVALDIJST-OAQYLSRUSA-N 0 0 450.539 4.916 20 0 JJADRN Cc1cc(-c2csc(NC(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)n2)ccc1F ZINC001445545138 1066586374 /nfs/dbraw/zinc/58/63/74/1066586374.db2.gz VAQPRXSXRDWMBB-SFHVURJKSA-N 0 0 456.543 4.727 20 0 JJADRN CSc1ccc(/C=C/C(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001456439192 1066586539 /nfs/dbraw/zinc/58/65/39/1066586539.db2.gz RGKSYZNAWLRFEZ-IQIBNGDESA-N 0 0 452.642 4.500 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H](O)c3cc4ccccc4s3)s2)cc1 ZINC001445547290 1066586740 /nfs/dbraw/zinc/58/67/40/1066586740.db2.gz RCGNEGXVOQYLLZ-QGZVFWFLSA-N 0 0 452.557 4.687 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001445546912 1066586820 /nfs/dbraw/zinc/58/68/20/1066586820.db2.gz XDZDQKIHFUVUDL-OAHLLOKOSA-N 0 0 457.905 4.688 20 0 JJADRN Cc1nc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)oc1-c1ccc(Cl)cc1 ZINC001445551674 1066586850 /nfs/dbraw/zinc/58/68/50/1066586850.db2.gz XXUHKLNXJDOFHI-FQEVSTJZSA-N 0 0 451.954 4.780 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)C(C)C)CC2)c(C)c1 ZINC001361245231 1066587176 /nfs/dbraw/zinc/58/71/76/1066587176.db2.gz IDNBJUACGKYWIR-UHFFFAOYSA-N 0 0 465.667 4.531 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC001361245582 1066587605 /nfs/dbraw/zinc/58/76/05/1066587605.db2.gz QTAUJDPXRSISOE-SFHVURJKSA-N 0 0 463.573 4.554 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 ZINC001456445452 1066587772 /nfs/dbraw/zinc/58/77/72/1066587772.db2.gz QDOBIYWMIFJYTQ-UHFFFAOYSA-N 0 0 452.551 4.720 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1C ZINC001456444987 1066587790 /nfs/dbraw/zinc/58/77/90/1066587790.db2.gz IFNWJGRZCOAYRS-BKMJKUGQSA-N 0 0 452.620 4.603 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCN(c4ccc(F)cc4C)C3)CC2=O)cc1 ZINC001456443707 1066587844 /nfs/dbraw/zinc/58/78/44/1066587844.db2.gz MYPLBIYQWQFVHF-JTHBVZDNSA-N 0 0 451.586 4.615 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001456442467 1066587995 /nfs/dbraw/zinc/58/79/95/1066587995.db2.gz MWSGOEWCUZMVTA-NSHDSACASA-N 0 0 456.431 4.857 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361246120 1066587793 /nfs/dbraw/zinc/58/77/93/1066587793.db2.gz LOELDJBSGGZGCK-DHMKHTPVSA-N 0 0 450.523 4.828 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)O[C@@H](C)C2 ZINC001361245961 1066588007 /nfs/dbraw/zinc/58/80/07/1066588007.db2.gz JEYUUJVSTFYSCT-ISWGXWBSSA-N 0 0 453.482 4.778 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361246319 1066588537 /nfs/dbraw/zinc/58/85/37/1066588537.db2.gz PTJVFMPSIXFMAJ-YTTGMZPUSA-N 0 0 457.477 4.893 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001456448269 1066588947 /nfs/dbraw/zinc/58/89/47/1066588947.db2.gz KVYWJJYTHYEZNV-UHFFFAOYSA-N 0 0 458.852 4.615 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Br)ncc1Br ZINC001456447019 1066589019 /nfs/dbraw/zinc/58/90/19/1066589019.db2.gz URXBKJCEKKZWGM-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@@H](C)C[C@H](O)c3ccccc3)cc2Br)no1 ZINC001445571503 1066589148 /nfs/dbraw/zinc/58/91/48/1066589148.db2.gz FAARHBLFKIGVPK-XOBRGWDASA-N 0 0 459.340 4.567 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CC2(Sc3ccccc3)CC2)s1 ZINC001361247194 1066589344 /nfs/dbraw/zinc/58/93/44/1066589344.db2.gz TVEYKNWCGIQREM-UHFFFAOYSA-N 0 0 455.653 4.748 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H](O)C2)s1 ZINC001361247226 1066589373 /nfs/dbraw/zinc/58/93/73/1066589373.db2.gz VAVXDTMEHAUNIZ-CTNGQTDRSA-N 0 0 467.639 4.705 20 0 JJADRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001445575867 1066589387 /nfs/dbraw/zinc/58/93/87/1066589387.db2.gz MVEFPXOBXOJLCQ-PXNSSMCTSA-N 0 0 454.596 4.764 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001445573400 1066589462 /nfs/dbraw/zinc/58/94/62/1066589462.db2.gz NAVAYJPDXHJGKD-LBPRGKRZSA-N 0 0 452.324 4.691 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)c(OC[C@H]2CCOC2)c1 ZINC001445575982 1066589620 /nfs/dbraw/zinc/58/96/20/1066589620.db2.gz ZGUMKVQDZNVFBA-HNNXBMFYSA-N 0 0 459.518 4.819 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccccc3)cc2)n1 ZINC001445576890 1066589943 /nfs/dbraw/zinc/58/99/43/1066589943.db2.gz OWWYPFOCJSLZQJ-NRFANRHFSA-N 0 0 452.601 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC001361247870 1066590468 /nfs/dbraw/zinc/59/04/68/1066590468.db2.gz NFMBTYIMKPWEQQ-QFIPXVFZSA-N 0 0 454.542 4.830 20 0 JJADRN CC(C)c1c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456451351 1066590556 /nfs/dbraw/zinc/59/05/56/1066590556.db2.gz UOBSTGGHUHMFDR-IBGZPJMESA-N 0 0 457.361 4.838 20 0 JJADRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC001456451171 1066590582 /nfs/dbraw/zinc/59/05/82/1066590582.db2.gz VNDRXMUNYQAEAE-UHFFFAOYSA-N 0 0 456.521 4.537 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2c(Cl)nn(C)c2Cl)c2ccccc2Cl)c(OC)c1 ZINC001361248085 1066590825 /nfs/dbraw/zinc/59/08/25/1066590825.db2.gz QJDXUXKQXWMMJP-KRWDZBQOSA-N 0 0 454.741 4.917 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(F)cc1I)c1ccco1 ZINC001445584777 1066590933 /nfs/dbraw/zinc/59/09/33/1066590933.db2.gz HILRNYYOTRBXKX-CQSZACIVSA-N 0 0 455.267 4.681 20 0 JJADRN COc1ccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c(OCCC(C)C)c1 ZINC001445585117 1066591115 /nfs/dbraw/zinc/59/11/15/1066591115.db2.gz LIGKRIQDKYVYEZ-UHFFFAOYSA-N 0 0 456.583 4.854 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1F ZINC001361248246 1066591342 /nfs/dbraw/zinc/59/13/42/1066591342.db2.gz SMFOQGLYVVBOJI-AEFFLSMTSA-N 0 0 455.530 4.711 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586568 1066591659 /nfs/dbraw/zinc/59/16/59/1066591659.db2.gz VZTCOZMDNMDVLY-DHIUTWEWSA-N 0 0 456.608 4.524 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 ZINC001361248437 1066591811 /nfs/dbraw/zinc/59/18/11/1066591811.db2.gz VXHIYXQAXDNBTL-INIZCTEOSA-N 0 0 453.539 4.638 20 0 JJADRN C[C@H](Sc1nc(CC(=O)Nc2cccc(CSCc3ccccc3)c2)cs1)C(N)=O ZINC001456459691 1066591868 /nfs/dbraw/zinc/59/18/68/1066591868.db2.gz CZTPOOTZAIDILP-HNNXBMFYSA-N 0 0 457.646 4.724 20 0 JJADRN CC[C@](C)(NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001456456432 1066591922 /nfs/dbraw/zinc/59/19/22/1066591922.db2.gz ZSLMAXXSMUNOIG-SANMLTNESA-N 0 0 456.652 4.763 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ncccc2N(C)C)o1 ZINC001361248766 1066592372 /nfs/dbraw/zinc/59/23/72/1066592372.db2.gz QIAMRXZSUZRKLB-SFHVURJKSA-N 0 0 464.545 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H](CCCCc2ccccc2)c2ccccc2)C1 ZINC001445589812 1066592696 /nfs/dbraw/zinc/59/26/96/1066592696.db2.gz FEYWBMVXWPGMSG-DNQXCXABSA-N 0 0 452.595 4.893 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 ZINC001456466769 1066592775 /nfs/dbraw/zinc/59/27/75/1066592775.db2.gz OMVHQTGXGDJBCZ-NRFANRHFSA-N 0 0 455.599 4.725 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2(O)CCO[C@H]2C)o1 ZINC001361248981 1066592768 /nfs/dbraw/zinc/59/27/68/1066592768.db2.gz XCBPNKJOBBJFPI-XHNVNVPESA-N 0 0 489.016 4.766 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)s1 ZINC001361248917 1066592817 /nfs/dbraw/zinc/59/28/17/1066592817.db2.gz VZCLHMYSJCZMJU-UHFFFAOYSA-N 0 0 451.640 4.623 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccc2N)CCC1 ZINC001456467013 1066592884 /nfs/dbraw/zinc/59/28/84/1066592884.db2.gz QONMBJDCSZOHKW-GOSISDBHSA-N 0 0 455.521 4.977 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3(OC(C)C)CCCCC3)c2)cc1 ZINC001445589959 1066592814 /nfs/dbraw/zinc/59/28/14/1066592814.db2.gz HAUBUJIMUQAAHU-UHFFFAOYSA-N 0 0 458.624 4.962 20 0 JJADRN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001445591853 1066593159 /nfs/dbraw/zinc/59/31/59/1066593159.db2.gz XBPNPNDCSLYKJQ-CQSZACIVSA-N 0 0 455.308 4.686 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC001361249507 1066593211 /nfs/dbraw/zinc/59/32/11/1066593211.db2.gz RXFVJVJBBLXPCW-RBBKRZOGSA-N 0 0 455.484 4.764 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC001361249506 1066593236 /nfs/dbraw/zinc/59/32/36/1066593236.db2.gz RXFVJVJBBLXPCW-IRLDBZIGSA-N 0 0 455.484 4.764 20 0 JJADRN C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445599625 1066593574 /nfs/dbraw/zinc/59/35/74/1066593574.db2.gz IRAGTVMHPBLYBB-ZDUSSCGKSA-N 0 0 452.418 4.692 20 0 JJADRN Cc1cc(O)cc(=O)n1CCC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC001456476850 1066594130 /nfs/dbraw/zinc/59/41/30/1066594130.db2.gz OLKWDPRIDOJEBL-UHFFFAOYSA-N 0 0 456.542 4.643 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)NCc3ccnc(OC4CCC(C)CC4)c3)n2)ccc1F ZINC001456476918 1066594260 /nfs/dbraw/zinc/59/42/60/1066594260.db2.gz KFDUHVHHTIWZAA-UHFFFAOYSA-N 0 0 452.530 4.786 20 0 JJADRN CN(Cc1c(OCc2ccccc2)ccc2ccccc21)C(=O)c1ccc(OCC(N)=O)cc1 ZINC001456481375 1066594740 /nfs/dbraw/zinc/59/47/40/1066594740.db2.gz XMKWIPFWJHGAGC-UHFFFAOYSA-N 0 0 454.526 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@H](C)C2)s1 ZINC001361249813 1066594707 /nfs/dbraw/zinc/59/47/07/1066594707.db2.gz GNWKTTFLBSFSIJ-WMZOPIPTSA-N 0 0 458.653 4.791 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361249922 1066595075 /nfs/dbraw/zinc/59/50/75/1066595075.db2.gz KLEBVCLIGVVSSI-ZDUSSCGKSA-N 0 0 487.402 4.992 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456483501 1066595174 /nfs/dbraw/zinc/59/51/74/1066595174.db2.gz BMSNLWDFGURIAZ-WTNAPCKOSA-N 0 0 453.421 4.782 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545977099 1066595135 /nfs/dbraw/zinc/59/51/35/1066595135.db2.gz FDQMYNKXRXPKIH-RBBKRZOGSA-N 0 0 477.613 4.688 20 0 JJADRN CC1(C)CCN(C(=O)c2ccnc(Cl)c2I)C[C@@H]1c1ccccc1 ZINC001456482535 1066595222 /nfs/dbraw/zinc/59/52/22/1066595222.db2.gz RBVQINCQBUVQHK-OAHLLOKOSA-N 0 0 454.739 4.996 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456483508 1066595923 /nfs/dbraw/zinc/59/59/23/1066595923.db2.gz BMSNLWDFGURIAZ-YHYVQYDKSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2CCOC2)o1 ZINC001361250119 1066596220 /nfs/dbraw/zinc/59/62/20/1066596220.db2.gz RLHJFFPXGGUVPX-OAHLLOKOSA-N 0 0 463.351 4.811 20 0 JJADRN CN(C)c1cccc(CN(C)C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001445632403 1066596473 /nfs/dbraw/zinc/59/64/73/1066596473.db2.gz SOTWFKNADHCKBS-UHFFFAOYSA-N 0 0 458.628 4.596 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)C3(c4ccccc4Br)CCCCC3)C2=O)cc1 ZINC001456486319 1066596381 /nfs/dbraw/zinc/59/63/81/1066596381.db2.gz IQQADPGGTDMNHC-OAQYLSRUSA-N 0 0 455.396 4.881 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001445636234 1066596850 /nfs/dbraw/zinc/59/68/50/1066596850.db2.gz ZMUPKNDLVMZFSS-SARUNTBLSA-N 0 0 450.560 4.694 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2ccco2)s1 ZINC001361250774 1066597183 /nfs/dbraw/zinc/59/71/83/1066597183.db2.gz ADXJRTDLGRKWNE-UHFFFAOYSA-N 0 0 473.961 4.767 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CCN1C(=O)OC(C)(C)C ZINC001456489187 1066597178 /nfs/dbraw/zinc/59/71/78/1066597178.db2.gz HCXBWENTSQJYKS-SFTDATJTSA-N 0 0 458.628 4.749 20 0 JJADRN Cc1ccc(I)c(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC001456489863 1066597189 /nfs/dbraw/zinc/59/71/89/1066597189.db2.gz IVFBKWRGBHAKMN-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001361250675 1066597234 /nfs/dbraw/zinc/59/72/34/1066597234.db2.gz MBXSINCQQOGYIY-UHFFFAOYSA-N 0 0 453.380 4.655 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC001445639386 1066597419 /nfs/dbraw/zinc/59/74/19/1066597419.db2.gz UVCCTCKEBCENPM-UHFFFAOYSA-N 0 0 451.592 4.550 20 0 JJADRN C[C@H](CNC(=O)C[C@@H](C)CCc1ccc(I)cc1)Oc1ccccc1 ZINC001456491566 1066597802 /nfs/dbraw/zinc/59/78/02/1066597802.db2.gz JCBNJIVTYASTNS-DLBZAZTESA-N 0 0 451.348 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCC(CC3CCCCC3)CC2)CC1 ZINC001456492259 1066598280 /nfs/dbraw/zinc/59/82/80/1066598280.db2.gz JIUQVMAGBXUYKZ-UHFFFAOYSA-N 0 0 459.635 4.673 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)Oc1ccccc1 ZINC001456492066 1066598318 /nfs/dbraw/zinc/59/83/18/1066598318.db2.gz JUWMSMXOOGUWES-DNVCBOLYSA-N 0 0 452.473 4.855 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001456492291 1066598508 /nfs/dbraw/zinc/59/85/08/1066598508.db2.gz NKCDBEWIHYNCDG-OAHLLOKOSA-N 0 0 457.434 4.619 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445651389 1066598548 /nfs/dbraw/zinc/59/85/48/1066598548.db2.gz RHWUHVUNDZGSJU-INIZCTEOSA-N 0 0 458.967 4.988 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC001456494206 1066598745 /nfs/dbraw/zinc/59/87/45/1066598745.db2.gz MIDWBPCDWBYAJH-SFTDATJTSA-N 0 0 458.628 4.797 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC(C)(C)C2)s1 ZINC001361251301 1066599024 /nfs/dbraw/zinc/59/90/24/1066599024.db2.gz MPESZNDZONVQFT-UHFFFAOYSA-N 0 0 478.037 4.855 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c1 ZINC001445666501 1066599512 /nfs/dbraw/zinc/59/95/12/1066599512.db2.gz HUCDJSKIIYGACO-HSZRJFAPSA-N 0 0 451.542 4.666 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001445666933 1066599542 /nfs/dbraw/zinc/59/95/42/1066599542.db2.gz FJPHTZAFBNOCAT-AWEZNQCLSA-N 0 0 453.547 4.638 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)c2)n1 ZINC001361251821 1066599478 /nfs/dbraw/zinc/59/94/78/1066599478.db2.gz JXZHWFSMEVQBPY-HSZRJFAPSA-N 0 0 458.484 4.550 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 ZINC001456495427 1066599548 /nfs/dbraw/zinc/59/95/48/1066599548.db2.gz FJFZRJJCZOTOLX-UHFFFAOYSA-N 0 0 452.542 4.717 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCCN(C)c2ccccc2F)s1 ZINC001361252139 1066599747 /nfs/dbraw/zinc/59/97/47/1066599747.db2.gz FRTMHDLHYACMMI-UHFFFAOYSA-N 0 0 452.603 4.956 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001456496917 1066599848 /nfs/dbraw/zinc/59/98/48/1066599848.db2.gz VNSNLBCYEXRDKF-OAQYLSRUSA-N 0 0 455.386 4.848 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(F)cccc2Cl)CCO1 ZINC001546082875 1066600290 /nfs/dbraw/zinc/60/02/90/1066600290.db2.gz FGEJFMDLYVMDFI-NRFANRHFSA-N 0 0 496.812 4.892 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC(F)(F)Br)CCO1 ZINC001546082873 1066600307 /nfs/dbraw/zinc/60/03/07/1066600307.db2.gz FDQNGIMSDKAWPU-INIZCTEOSA-N 0 0 494.178 4.701 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001445674685 1066600473 /nfs/dbraw/zinc/60/04/73/1066600473.db2.gz ADCTWQUNUCKEQM-DMUMMCEESA-N 0 0 465.038 4.667 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001445674700 1066600516 /nfs/dbraw/zinc/60/05/16/1066600516.db2.gz ADCTWQUNUCKEQM-JRBPQWBISA-N 0 0 465.038 4.667 20 0 JJADRN Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001445675977 1066600540 /nfs/dbraw/zinc/60/05/40/1066600540.db2.gz YSSWFQYNKYOCGA-NRFANRHFSA-N 0 0 459.329 4.723 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001445674702 1066600570 /nfs/dbraw/zinc/60/05/70/1066600570.db2.gz ADCTWQUNUCKEQM-XFKSJGNHSA-N 0 0 465.038 4.667 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598194 1066600442 /nfs/dbraw/zinc/60/04/42/1066600442.db2.gz KKJRDVXGUXTEEX-QFQXNSOFSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)s1 ZINC001361252714 1066600537 /nfs/dbraw/zinc/60/05/37/1066600537.db2.gz QFMISHXBPCVHOL-DYESRHJHSA-N 0 0 484.670 4.935 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCCN(C)CC(F)(F)F)o1 ZINC001361252904 1066600543 /nfs/dbraw/zinc/60/05/43/1066600543.db2.gz SZHQFUKWOVYHSG-UHFFFAOYSA-N 0 0 474.531 4.859 20 0 JJADRN COC(=O)Nc1cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC001445674785 1066600597 /nfs/dbraw/zinc/60/05/97/1066600597.db2.gz UURCEJKXHWLPTQ-HNNXBMFYSA-N 0 0 451.228 4.654 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H](Oc1ccccc1)c1ccccc1 ZINC001456499764 1066601553 /nfs/dbraw/zinc/60/15/53/1066601553.db2.gz DVXMDSHKZWFFOS-WMZHIEFXSA-N 0 0 451.364 4.964 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(NCc2nccn2C)cc1 ZINC001445680633 1066601886 /nfs/dbraw/zinc/60/18/86/1066601886.db2.gz RLAQKPCXBJDEMU-FQEVSTJZSA-N 0 0 455.006 4.824 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Oc1ccccc1F ZINC001545977923 1066601891 /nfs/dbraw/zinc/60/18/91/1066601891.db2.gz UPRGLIGHYUNMCJ-RBUKOAKNSA-N 0 0 468.577 4.516 20 0 JJADRN CCOCCCn1c(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)nc2ccccc21 ZINC001361253829 1066601869 /nfs/dbraw/zinc/60/18/69/1066601869.db2.gz JORABNZJEPBYOQ-UHFFFAOYSA-N 0 0 457.456 4.920 20 0 JJADRN C[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1nc2ccccc2s1 ZINC001456500566 1066602307 /nfs/dbraw/zinc/60/23/07/1066602307.db2.gz JLMQDQNRCVQDER-OAHLLOKOSA-N 0 0 453.951 4.681 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC001445682537 1066602469 /nfs/dbraw/zinc/60/24/69/1066602469.db2.gz VPCOHAVNFODBDM-IBGZPJMESA-N 0 0 458.969 4.566 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(Br)s1 ZINC001456502795 1066602810 /nfs/dbraw/zinc/60/28/10/1066602810.db2.gz BOISSHXKKXKZOU-UHFFFAOYSA-N 0 0 455.175 4.965 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC001445685436 1066603088 /nfs/dbraw/zinc/60/30/88/1066603088.db2.gz YYYOCMBOWCTOKQ-SJLPKXTDSA-N 0 0 457.329 4.548 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc(-c2ccc(Br)cc2)no1 ZINC001456503732 1066603715 /nfs/dbraw/zinc/60/37/15/1066603715.db2.gz FRXDRTOGUVBEFV-UHFFFAOYSA-N 0 0 459.687 4.738 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001492598214 1066603854 /nfs/dbraw/zinc/60/38/54/1066603854.db2.gz KTZHQQXRIXHYCS-YLJYHZDGSA-N 0 0 452.521 4.554 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1nc2ccccc2s1 ZINC001456503837 1066604193 /nfs/dbraw/zinc/60/41/93/1066604193.db2.gz YRGSTIOVKNQNTG-LBPRGKRZSA-N 0 0 452.001 4.518 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)o1 ZINC001361256109 1066604338 /nfs/dbraw/zinc/60/43/38/1066604338.db2.gz YBROBYKYUAEYMH-GOSISDBHSA-N 0 0 497.587 4.602 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3ccc(Nc4nc(C)cs4)cc3)C2)cc(OC)c1 ZINC001445691111 1066604321 /nfs/dbraw/zinc/60/43/21/1066604321.db2.gz PVGWHOYJGGPMSL-IBGZPJMESA-N 0 0 452.580 4.929 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001361256664 1066605066 /nfs/dbraw/zinc/60/50/66/1066605066.db2.gz FLDKSBZPMDTOQH-CYFREDJKSA-N 0 0 459.055 4.900 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)Cc2nnn(-c3ccccc3)c2C)c1 ZINC001456509075 1066605647 /nfs/dbraw/zinc/60/56/47/1066605647.db2.gz UCRFTYPUSAKMCC-HHHXNRCGSA-N 0 0 454.574 4.844 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC[C@@H]1CCCC[C@@H]1O)Nc1ccc(SC(F)F)cc1 ZINC001456509200 1066605666 /nfs/dbraw/zinc/60/56/66/1066605666.db2.gz XKQNJPTXAWIMCH-JXFKEZNVSA-N 0 0 478.561 4.690 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)Cc2nnn(-c3ccccc3)c2C)c1 ZINC001456509106 1066605732 /nfs/dbraw/zinc/60/57/32/1066605732.db2.gz UCRFTYPUSAKMCC-MHZLTWQESA-N 0 0 454.574 4.844 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NCC1(OCCO)CCC(C(F)F)CC1)c1ccccc1 ZINC001456509494 1066606308 /nfs/dbraw/zinc/60/63/08/1066606308.db2.gz AELHDMAPXIRVBE-XLNRJJMWSA-N 0 0 459.533 4.555 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001445703570 1066606373 /nfs/dbraw/zinc/60/63/73/1066606373.db2.gz FNWHOYJKXCZTKE-IBGZPJMESA-N 0 0 450.362 4.717 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001445703877 1066606942 /nfs/dbraw/zinc/60/69/42/1066606942.db2.gz PSFJQCDZLLPOCQ-PKOBYXMFSA-N 0 0 458.356 4.736 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001456511168 1066607143 /nfs/dbraw/zinc/60/71/43/1066607143.db2.gz FVPJJVZWSBUALU-PKOBYXMFSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361258346 1066607428 /nfs/dbraw/zinc/60/74/28/1066607428.db2.gz SZHYRJUJEPDWEP-RUZDIDTESA-N 0 0 452.530 4.663 20 0 JJADRN COc1c(C)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001361258632 1066608426 /nfs/dbraw/zinc/60/84/26/1066608426.db2.gz ZHDMKVLOHKZVGM-JOCHJYFZSA-N 0 0 457.979 4.888 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)cc1 ZINC001445709203 1066608509 /nfs/dbraw/zinc/60/85/09/1066608509.db2.gz ZZTWLMJRXLWSNG-SJORKVTESA-N 0 0 457.596 4.705 20 0 JJADRN CC[C@@H](C)n1nc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1C ZINC001456513433 1066608564 /nfs/dbraw/zinc/60/85/64/1066608564.db2.gz BVJAUQUQBKACBX-LJQANCHMSA-N 0 0 454.615 4.861 20 0 JJADRN CCOc1ccc(SCC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC001445710963 1066608565 /nfs/dbraw/zinc/60/85/65/1066608565.db2.gz JYWGDJHOQRULRL-AWEZNQCLSA-N 0 0 459.921 4.640 20 0 JJADRN Cc1cccc2nc(CNC(=O)c3cc(Nc4nccc(C(F)(F)F)n4)ccc3C)n(C)c21 ZINC001445707892 1066608635 /nfs/dbraw/zinc/60/86/35/1066608635.db2.gz YBEYBZPKTSTTDI-UHFFFAOYSA-N 0 0 454.456 4.673 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2Cc2ccsc2Br)o1 ZINC001361258754 1066608996 /nfs/dbraw/zinc/60/89/96/1066608996.db2.gz CULGOYBCEGWGLM-UHFFFAOYSA-N 0 0 458.385 4.674 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001361258977 1066609019 /nfs/dbraw/zinc/60/90/19/1066609019.db2.gz LPDFXDZHWKBENZ-FQEVSTJZSA-N 0 0 482.654 4.670 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)N(C)C)s1 ZINC001361259222 1066609721 /nfs/dbraw/zinc/60/97/21/1066609721.db2.gz VLNUVJLSEZJNGV-JOCHJYFZSA-N 0 0 482.604 4.851 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cccc(I)c1 ZINC001456516686 1066609770 /nfs/dbraw/zinc/60/97/70/1066609770.db2.gz HEYJIXULNGFWON-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCCc3ccccc3)n2CCNC(=O)C(C)(C)C)s1 ZINC001361259034 1066609805 /nfs/dbraw/zinc/60/98/05/1066609805.db2.gz NJMBCZKPKDMASD-UHFFFAOYSA-N 0 0 453.656 4.622 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)s1 ZINC001361259077 1066609849 /nfs/dbraw/zinc/60/98/49/1066609849.db2.gz PEKHTZJZVPDXCZ-UHFFFAOYSA-N 0 0 464.639 4.519 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCc3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361259373 1066610334 /nfs/dbraw/zinc/61/03/34/1066610334.db2.gz ZTHGKBDFSXDONX-UHFFFAOYSA-N 0 0 485.514 4.522 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(Cl)cc1Cl ZINC001456519266 1066610459 /nfs/dbraw/zinc/61/04/59/1066610459.db2.gz NTNVBSYGGAUCAK-XPEUFWPYSA-N 0 0 471.450 4.745 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1nc(Br)c2ccccn12 ZINC001456518290 1066610476 /nfs/dbraw/zinc/61/04/76/1066610476.db2.gz LSMNJDYXNNDVGT-UHFFFAOYSA-N 0 0 450.218 4.554 20 0 JJADRN COCc1nc2sc(C(=O)N[C@H](C)c3ccc(OCC4CC4)c(F)c3)c(C)c2c(OC)n1 ZINC001445717996 1066610453 /nfs/dbraw/zinc/61/04/53/1066610453.db2.gz FLTBSRZVSULFLH-CYBMUJFWSA-N 0 0 459.543 4.574 20 0 JJADRN COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001445718793 1066610469 /nfs/dbraw/zinc/61/04/69/1066610469.db2.gz KDECKJZRPRHZOQ-JOCHJYFZSA-N 0 0 450.560 4.530 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)nc2)cc1 ZINC001456519378 1066611152 /nfs/dbraw/zinc/61/11/52/1066611152.db2.gz NSGPSHNVQKJGTO-UWJYYQICSA-N 0 0 455.555 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)s1 ZINC001361261087 1066611587 /nfs/dbraw/zinc/61/15/87/1066611587.db2.gz GYPPLCCYFYNNKD-RBUKOAKNSA-N 0 0 463.648 4.685 20 0 JJADRN O=C(CCSc1ccccc1Br)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456521324 1066611618 /nfs/dbraw/zinc/61/16/18/1066611618.db2.gz XDGHBROOQCPFMO-UHFFFAOYSA-N 0 0 452.761 4.951 20 0 JJADRN O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001456521525 1066611649 /nfs/dbraw/zinc/61/16/49/1066611649.db2.gz XHCXTAJDSHCCOA-QMMMGPOBSA-N 0 0 452.633 4.680 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)s1 ZINC001361261029 1066611620 /nfs/dbraw/zinc/61/16/20/1066611620.db2.gz DXSSQOKPMZMPBJ-QHCPKHFHSA-N 0 0 456.543 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NC[C@H](O)c2ccc3ccccc3c2)C1 ZINC001445722802 1066611608 /nfs/dbraw/zinc/61/16/08/1066611608.db2.gz NTELONYYAALHTB-CYXNTTPDSA-N 0 0 474.601 4.715 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCCOC(F)(F)F)o1 ZINC001361261191 1066612358 /nfs/dbraw/zinc/61/23/58/1066612358.db2.gz KCOCJBAEMHHEOP-UHFFFAOYSA-N 0 0 452.477 4.938 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)s1 ZINC001361261243 1066612398 /nfs/dbraw/zinc/61/23/98/1066612398.db2.gz LYZWDQQNIGKPKF-HKBQPEDESA-N 0 0 464.632 4.550 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC001445731610 1066612581 /nfs/dbraw/zinc/61/25/81/1066612581.db2.gz PJFDSYSPXCMUEE-WHEQGISXSA-N 0 0 450.341 4.716 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCc2c(C)nc(SC)[nH]c2=O)c2ccccc2Cl)c1 ZINC001456524987 1066612782 /nfs/dbraw/zinc/61/27/82/1066612782.db2.gz RYGLYZKRECUHJJ-OAQYLSRUSA-N 0 0 457.983 4.713 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)o1 ZINC001361261317 1066612846 /nfs/dbraw/zinc/61/28/46/1066612846.db2.gz PAVGSLQAJZSZBC-KRWDZBQOSA-N 0 0 453.534 4.933 20 0 JJADRN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1c(F)c(F)c(Br)c(F)c1F ZINC001445738344 1066612881 /nfs/dbraw/zinc/61/28/81/1066612881.db2.gz HFMSBHWSUQOANC-JTQLQIEISA-N 0 0 458.209 4.986 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@@H](O)c1ccccc1Cl ZINC001445737538 1066612984 /nfs/dbraw/zinc/61/29/84/1066612984.db2.gz AZJDZYQXICZIAG-FCHUYYIVSA-N 0 0 457.357 4.704 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccc(Cl)cn2)o1 ZINC001361261269 1066612920 /nfs/dbraw/zinc/61/29/20/1066612920.db2.gz NCBGHQMXRZLTRS-TZIWHRDSSA-N 0 0 474.005 4.862 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCOc2ncccc2F)s1 ZINC001361261601 1066613676 /nfs/dbraw/zinc/61/36/76/1066613676.db2.gz UZSFQNKETQGHKO-UHFFFAOYSA-N 0 0 471.533 4.616 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)o1 ZINC001361261517 1066613687 /nfs/dbraw/zinc/61/36/87/1066613687.db2.gz SHLUFZNWZXIWJN-UHFFFAOYSA-N 0 0 471.911 4.542 20 0 JJADRN COc1cc(OC)cc([C@@H](O)CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC001445740934 1066613732 /nfs/dbraw/zinc/61/37/32/1066613732.db2.gz FEOXVNQIYUNUMH-NRFANRHFSA-N 0 0 451.485 4.774 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC(F)F)s1 ZINC001361261485 1066613739 /nfs/dbraw/zinc/61/37/39/1066613739.db2.gz CPGFAMXDDFNASY-IYBDPMFKSA-N 0 0 485.601 4.684 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445740977 1066613800 /nfs/dbraw/zinc/61/38/00/1066613800.db2.gz JONSJWYEJAHDPX-CHWSQXEVSA-N 0 0 450.284 4.747 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)o1 ZINC001361261628 1066614143 /nfs/dbraw/zinc/61/41/43/1066614143.db2.gz VJIANVZEPCUPIE-UHFFFAOYSA-N 0 0 454.962 4.562 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@H](F)C2)s1 ZINC001361261706 1066614180 /nfs/dbraw/zinc/61/41/80/1066614180.db2.gz HVLNEGGSVSWHNC-ZWKOTPCHSA-N 0 0 459.591 4.724 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2OCCC2(C)C)s1 ZINC001361261711 1066614195 /nfs/dbraw/zinc/61/41/95/1066614195.db2.gz HYLNKFALSBXHLS-WSTZPKSXSA-N 0 0 489.686 4.870 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@H](O)c1ccc(F)cc1 ZINC001445751073 1066614409 /nfs/dbraw/zinc/61/44/09/1066614409.db2.gz YPVYSXGCAZIYNE-VFNWGFHPSA-N 0 0 458.559 4.513 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2C[C@H]2CCCCS2(=O)=O)s1 ZINC001361261977 1066615020 /nfs/dbraw/zinc/61/50/20/1066615020.db2.gz MVURGKNJYGDGSD-HXUWFJFHSA-N 0 0 462.641 4.539 20 0 JJADRN O=C(NC[C@@H](O)C1CCCCC1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001445775879 1066615220 /nfs/dbraw/zinc/61/52/20/1066615220.db2.gz FQQYQIRVTCDXNE-HXUWFJFHSA-N 0 0 458.484 4.624 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)s1 ZINC001361262042 1066615374 /nfs/dbraw/zinc/61/53/74/1066615374.db2.gz PECFRNIDRZOFPA-UHFFFAOYSA-N 0 0 463.554 4.616 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N(C)C)s1 ZINC001361262240 1066615453 /nfs/dbraw/zinc/61/54/53/1066615453.db2.gz XUIXESDZBPGNAJ-UHFFFAOYSA-N 0 0 499.587 4.795 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001456533174 1066615519 /nfs/dbraw/zinc/61/55/19/1066615519.db2.gz CVGGFUATBGNGSP-MSOLQXFVSA-N 0 0 480.200 4.532 20 0 JJADRN COCCCOc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 ZINC001456532610 1066615559 /nfs/dbraw/zinc/61/55/59/1066615559.db2.gz AVRRAPVQRJPWMQ-UHFFFAOYSA-N 0 0 458.356 4.826 20 0 JJADRN CC(C)CC(=O)N[C@H](C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001445778283 1066615763 /nfs/dbraw/zinc/61/57/63/1066615763.db2.gz CJCTTZMIVORBQN-QHCPKHFHSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)o1 ZINC001361262277 1066616082 /nfs/dbraw/zinc/61/60/82/1066616082.db2.gz YZUMXJYMSGYSOO-HDICACEKSA-N 0 0 486.642 4.708 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c2ccc(Cl)cc2)c1 ZINC001361262489 1066616117 /nfs/dbraw/zinc/61/61/17/1066616117.db2.gz JOXDFNDOAPWKEN-ZJVRTDGDSA-N 0 0 450.025 4.623 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CSCC(=O)c2ccccc2)n1C ZINC001456535455 1066616224 /nfs/dbraw/zinc/61/62/24/1066616224.db2.gz KNRXBMMYLWNFBM-UHFFFAOYSA-N 0 0 458.381 4.713 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC001456534334 1066616258 /nfs/dbraw/zinc/61/62/58/1066616258.db2.gz IOMWXUJOXKIFIC-UHFFFAOYSA-N 0 0 453.174 4.611 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3CCCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC001361263958 1066616687 /nfs/dbraw/zinc/61/66/87/1066616687.db2.gz SFLLBXVVRNKCOJ-RTBURBONSA-N 0 0 493.574 4.731 20 0 JJADRN Cc1ccc(CNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(OC[C@@H]2CCCO2)c1 ZINC001445784560 1066616716 /nfs/dbraw/zinc/61/67/16/1066616716.db2.gz KGQPOVHQQDXCIS-KDYSTLNUSA-N 0 0 453.579 4.584 20 0 JJADRN Cc1ccccc1-c1nc(CNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1 ZINC001445781512 1066616809 /nfs/dbraw/zinc/61/68/09/1066616809.db2.gz TXVBUXVNYQTXAZ-HXUWFJFHSA-N 0 0 450.539 4.707 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3F)CC2)c(OCC(F)(F)F)c1 ZINC001361264218 1066617373 /nfs/dbraw/zinc/61/73/73/1066617373.db2.gz CJKAXEBHLLPFJW-UHFFFAOYSA-N 0 0 492.521 4.560 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)c(OCC(F)(F)F)c1 ZINC001361264628 1066617425 /nfs/dbraw/zinc/61/74/25/1066617425.db2.gz PRNPXOPPNTXLIC-SFHVURJKSA-N 0 0 476.547 4.502 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001456537619 1066617485 /nfs/dbraw/zinc/61/74/85/1066617485.db2.gz UPGMAUVQZAXNBP-QAPCUYQASA-N 0 0 453.421 4.782 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2cccc(Br)c2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001456537621 1066617491 /nfs/dbraw/zinc/61/74/91/1066617491.db2.gz UPGMAUVQZAXNBP-YJBOKZPZSA-N 0 0 453.421 4.782 20 0 JJADRN O=C(CCCc1ccc(Cl)c(Cl)c1)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001445786368 1066617500 /nfs/dbraw/zinc/61/75/00/1066617500.db2.gz WXEYZDOAKVJQFS-HNNXBMFYSA-N 0 0 450.284 4.891 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)C1CC(OCc2ccccc2)C1 ZINC001456538024 1066617985 /nfs/dbraw/zinc/61/79/85/1066617985.db2.gz CJFKNCODKOOPKP-UHFFFAOYSA-N 0 0 459.262 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC001456537971 1066618091 /nfs/dbraw/zinc/61/80/91/1066618091.db2.gz BHDXRVVDHAIUNE-PMOQBDJRSA-N 0 0 454.611 4.924 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)c2ccccc2Cl)ccc1F ZINC001361265789 1066618005 /nfs/dbraw/zinc/61/80/05/1066618005.db2.gz RQVGBBPIWNXEKR-HSZRJFAPSA-N 0 0 451.929 4.938 20 0 JJADRN COc1cccc(C(NC(=O)Cn2nc(C(F)F)cc2C(F)F)c2cccc(OC)c2)c1 ZINC001361265811 1066618077 /nfs/dbraw/zinc/61/80/77/1066618077.db2.gz ICAJDVUPCQMVJO-UHFFFAOYSA-N 0 0 451.420 4.681 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001445790423 1066618159 /nfs/dbraw/zinc/61/81/59/1066618159.db2.gz AVZUZSKBLMEXEI-YHJVDBJQSA-N 0 0 455.357 4.515 20 0 JJADRN COc1cccc(C(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)c2cccc(OC)c2)c1 ZINC001361266184 1066618558 /nfs/dbraw/zinc/61/85/58/1066618558.db2.gz PCXGHQDOKUITFR-UHFFFAOYSA-N 0 0 455.558 4.955 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccc(Br)c4)CC3)CCC2=O)cc1C ZINC001456538602 1066618561 /nfs/dbraw/zinc/61/85/61/1066618561.db2.gz YEGVDEDWAIGXRF-SFHVURJKSA-N 0 0 455.396 4.657 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccc(Cl)nn2)c(OC)c1 ZINC001456538154 1066618582 /nfs/dbraw/zinc/61/85/82/1066618582.db2.gz YCTZULZUPZUEOP-UHFFFAOYSA-N 0 0 450.926 4.891 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361266708 1066618609 /nfs/dbraw/zinc/61/86/09/1066618609.db2.gz DRSVHVOIFYVTDC-UHFFFAOYSA-N 0 0 497.562 4.768 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Br)c(F)c3)ccc2C)ccn1 ZINC001361266368 1066618702 /nfs/dbraw/zinc/61/87/02/1066618702.db2.gz SUIFGPGGQUNCOK-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCC2(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001456538584 1066618729 /nfs/dbraw/zinc/61/87/29/1066618729.db2.gz XVXNVIPKRNUMGX-QZTJIDSGSA-N 0 0 451.405 4.633 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C)CC2)c(=O)n1C ZINC001361267245 1066619252 /nfs/dbraw/zinc/61/92/52/1066619252.db2.gz KURSOHGMINMTHQ-IEBWSBKVSA-N 0 0 470.017 4.753 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](C)CC2)c(=O)n1C ZINC001361267247 1066619305 /nfs/dbraw/zinc/61/93/05/1066619305.db2.gz KURSOHGMINMTHQ-PKOBYXMFSA-N 0 0 470.017 4.753 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)c1 ZINC001456539895 1066619360 /nfs/dbraw/zinc/61/93/60/1066619360.db2.gz DOAKUOUSMKAHCE-UHFFFAOYSA-N 0 0 453.470 4.912 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)cc21 ZINC001445797496 1066619341 /nfs/dbraw/zinc/61/93/41/1066619341.db2.gz HSLZYRUJIYMAMI-LZVRBXCZSA-N 0 0 455.711 4.583 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@H]2C)c(F)c1 ZINC001361267731 1066619952 /nfs/dbraw/zinc/61/99/52/1066619952.db2.gz CSQBYBVXDLAJCT-CQSZACIVSA-N 0 0 462.367 4.535 20 0 JJADRN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1nn(-c2ccccc2)cc1Br ZINC001456540796 1066620013 /nfs/dbraw/zinc/62/00/13/1066620013.db2.gz AMTLRPHMSHFORU-UHFFFAOYSA-N 0 0 456.340 4.693 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@H](O)c1c(F)cccc1Cl ZINC001445799919 1066619885 /nfs/dbraw/zinc/61/98/85/1066619885.db2.gz KSVVRYNYLBLOGB-DMZKTXOQSA-N 0 0 457.958 4.870 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@H](O)c1c(F)cccc1Cl ZINC001445799925 1066620026 /nfs/dbraw/zinc/62/00/26/1066620026.db2.gz KSVVRYNYLBLOGB-XMHCIUCPSA-N 0 0 457.958 4.870 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001361267672 1066620064 /nfs/dbraw/zinc/62/00/64/1066620064.db2.gz BAIIQHIFBZZRIW-CYBMUJFWSA-N 0 0 470.387 4.946 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C)nc1 ZINC001361267923 1066620526 /nfs/dbraw/zinc/62/05/26/1066620526.db2.gz FKZULCMGVWHEMO-UHFFFAOYSA-N 0 0 467.371 4.701 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC001361268238 1066620616 /nfs/dbraw/zinc/62/06/16/1066620616.db2.gz IMAXCXFNLYGBET-HNNXBMFYSA-N 0 0 483.947 4.522 20 0 JJADRN O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001456544001 1066620761 /nfs/dbraw/zinc/62/07/61/1066620761.db2.gz FCJXTWWJGIFNHS-UHFFFAOYSA-N 0 0 456.951 4.711 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3sccc3S(C)(=O)=O)c3cnn(C(C)C)c3n2)cc1 ZINC001456545351 1066621350 /nfs/dbraw/zinc/62/13/50/1066621350.db2.gz NUIBYXNRAHVBPD-UHFFFAOYSA-N 0 0 454.577 4.705 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445807290 1066621396 /nfs/dbraw/zinc/62/13/96/1066621396.db2.gz DTXRJBZYHNXTPK-KQCPFVEDSA-N 0 0 457.398 4.591 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001445809955 1066621897 /nfs/dbraw/zinc/62/18/97/1066621897.db2.gz ANYUWHUTHWBYQJ-YTZAWJCFSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)s1 ZINC001361268766 1066621799 /nfs/dbraw/zinc/62/17/99/1066621799.db2.gz PQMDCQXXPZISPG-UHFFFAOYSA-N 0 0 458.031 4.711 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CCCCC[C@@H]2c2ccco2)nnc1-c1ccccc1 ZINC001456545878 1066621865 /nfs/dbraw/zinc/62/18/65/1066621865.db2.gz LRQSTYOEGXLMFU-AZUAARDMSA-N 0 0 454.596 4.982 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001361268533 1066621916 /nfs/dbraw/zinc/62/19/16/1066621916.db2.gz UDWCMAUQXDSDPA-ROUUACIJSA-N 0 0 488.057 4.808 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001445814523 1066622690 /nfs/dbraw/zinc/62/26/90/1066622690.db2.gz FPDOKEIMKPRKMH-HNNXBMFYSA-N 0 0 454.493 4.704 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)C(C)(C)c1ccccc1Cl)CC2 ZINC001456549278 1066622683 /nfs/dbraw/zinc/62/26/83/1066622683.db2.gz DTKLIXGPYNOOIQ-KRWDZBQOSA-N 0 0 451.007 4.540 20 0 JJADRN C[C@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445818773 1066623037 /nfs/dbraw/zinc/62/30/37/1066623037.db2.gz ZDNLKZWBLSBCQL-XOBRGWDASA-N 0 0 451.394 4.963 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2sccc2S(C)(=O)=O)c1 ZINC001456550089 1066623106 /nfs/dbraw/zinc/62/31/06/1066623106.db2.gz YWEVCSFQFIISIM-UHFFFAOYSA-N 0 0 455.536 4.704 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cs2)cc1 ZINC001361269641 1066623827 /nfs/dbraw/zinc/62/38/27/1066623827.db2.gz MENKGNXCAGKJCF-MSOLQXFVSA-N 0 0 457.596 4.823 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)C1 ZINC001445822348 1066623735 /nfs/dbraw/zinc/62/37/35/1066623735.db2.gz QMIBDYBARYUFAV-AWEZNQCLSA-N 0 0 451.354 4.871 20 0 JJADRN C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H](O)c1c(F)cccc1Cl ZINC001445820258 1066623940 /nfs/dbraw/zinc/62/39/40/1066623940.db2.gz ZXUKGQDPFVDAQR-AANKLQPISA-N 0 0 458.608 4.650 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC001445824447 1066623955 /nfs/dbraw/zinc/62/39/55/1066623955.db2.gz PKXIYAHYJVSKNA-KRWDZBQOSA-N 0 0 458.578 4.622 20 0 JJADRN CO[C@@](C)(C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1ccccc1F ZINC001361270294 1066624177 /nfs/dbraw/zinc/62/41/77/1066624177.db2.gz GXRWJCRTTLFKOO-ZCCHDVMBSA-N 0 0 454.464 4.958 20 0 JJADRN CCC1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC001456557797 1066624399 /nfs/dbraw/zinc/62/43/99/1066624399.db2.gz WIVPFFLUFZOMCQ-UHFFFAOYSA-N 0 0 450.579 4.763 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001445827650 1066624433 /nfs/dbraw/zinc/62/44/33/1066624433.db2.gz SGSFZWCCXSOYBU-KRWDZBQOSA-N 0 0 453.624 4.508 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cn3c(n2)CC[C@H](C)C3)c1 ZINC001445838997 1066624984 /nfs/dbraw/zinc/62/49/84/1066624984.db2.gz CRLOWSUZVRHAHZ-ZDUSSCGKSA-N 0 0 456.955 4.704 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC001445834899 1066625054 /nfs/dbraw/zinc/62/50/54/1066625054.db2.gz RLLBTXDXPJAUMV-GFCCVEGCSA-N 0 0 453.149 4.625 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccncc3Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361271481 1066625005 /nfs/dbraw/zinc/62/50/05/1066625005.db2.gz UGMFKHZRYRRZAU-TXEJJXNPSA-N 0 0 458.278 4.729 20 0 JJADRN O=C(c1cc(Br)cnc1F)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001456562897 1066625520 /nfs/dbraw/zinc/62/55/20/1066625520.db2.gz QSBLRBFFQPSZGF-UHFFFAOYSA-N 0 0 456.031 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2Cc2ccc(C)cc2OCC(F)(F)F)o1 ZINC001361272058 1066625654 /nfs/dbraw/zinc/62/56/54/1066625654.db2.gz AXUHLDJEEDSURR-UHFFFAOYSA-N 0 0 464.488 4.760 20 0 JJADRN O=C(CSCc1ccncc1)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456564561 1066626407 /nfs/dbraw/zinc/62/64/07/1066626407.db2.gz KHBAMKXXJYRHHA-UHFFFAOYSA-N 0 0 456.365 4.968 20 0 JJADRN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001445855306 1066626382 /nfs/dbraw/zinc/62/63/82/1066626382.db2.gz UIDOVHSXXYFNBY-UHFFFAOYSA-N 0 0 455.605 4.705 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456564362 1066626505 /nfs/dbraw/zinc/62/65/05/1066626505.db2.gz HKJRHIOOIKKATJ-UZUQRXQVSA-N 0 0 457.979 4.820 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)C2 ZINC001445858965 1066627039 /nfs/dbraw/zinc/62/70/39/1066627039.db2.gz APLKGGFRJHFHTP-ZEQRLZLVSA-N 0 0 455.476 4.944 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001361272750 1066627655 /nfs/dbraw/zinc/62/76/55/1066627655.db2.gz KPLOABQKQRTGBI-UHFFFAOYSA-N 0 0 498.596 4.936 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(C)c(-c3cnn(C)c3)c2)n1 ZINC001361272608 1066627690 /nfs/dbraw/zinc/62/76/90/1066627690.db2.gz IKKSMBRKYQOCPC-UHFFFAOYSA-N 0 0 451.914 4.540 20 0 JJADRN C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CCO1 ZINC001445862042 1066627938 /nfs/dbraw/zinc/62/79/38/1066627938.db2.gz AQGUAKUJYCNVGK-DEOSSOPVSA-N 0 0 452.601 4.867 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@H](C)[C@H]2C)c(=O)n1C ZINC001361273157 1066628922 /nfs/dbraw/zinc/62/89/22/1066628922.db2.gz WSCZUKFFRUEDNT-PZJWPPBQSA-N 0 0 463.626 4.660 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@@H](C)C2)cn1 ZINC001361273201 1066628932 /nfs/dbraw/zinc/62/89/32/1066628932.db2.gz WZOHIKMVUCILAT-AWEZNQCLSA-N 0 0 462.392 4.540 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001361273141 1066629012 /nfs/dbraw/zinc/62/90/12/1066629012.db2.gz OILNXFNUBMTKRL-SFHVURJKSA-N 0 0 491.455 4.756 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001445867069 1066629088 /nfs/dbraw/zinc/62/90/88/1066629088.db2.gz MPLPURNPWCSDNA-DNVKUUNQSA-N 0 0 458.961 4.551 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001456572436 1066629070 /nfs/dbraw/zinc/62/90/70/1066629070.db2.gz XULSKLSWZJGTEE-QMHKHESXSA-N 0 0 456.974 4.776 20 0 JJADRN CC(C)(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001445868588 1066629143 /nfs/dbraw/zinc/62/91/43/1066629143.db2.gz PJVJASJNWDPUGG-OAHLLOKOSA-N 0 0 452.165 4.950 20 0 JJADRN CC[C@H](C)CC[C@H](O)CC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 ZINC001456571762 1066629120 /nfs/dbraw/zinc/62/91/20/1066629120.db2.gz ZYERTKFJZHCOBD-NBHGPNQESA-N 0 0 457.396 4.792 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N(CCc2ccccc2)c2ccc(OC)cc2)CC1=O ZINC001456576461 1066629661 /nfs/dbraw/zinc/62/96/61/1066629661.db2.gz ILGIOPZHQALZNQ-QFIPXVFZSA-N 0 0 458.558 4.723 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979453 1066629765 /nfs/dbraw/zinc/62/97/65/1066629765.db2.gz AXABLRUCQODPLU-MOPGFXCFSA-N 0 0 456.635 4.824 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCS[C@@H](C)[C@H]2C)cn1 ZINC001361273516 1066630223 /nfs/dbraw/zinc/63/02/23/1066630223.db2.gz SOGSXKVUQSXZJG-CABCVRRESA-N 0 0 476.419 4.929 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](OCC(C)C)C2)c(=O)n1C ZINC001361273607 1066630236 /nfs/dbraw/zinc/63/02/36/1066630236.db2.gz VKVHIINNRVZYBH-DEOSSOPVSA-N 0 0 477.653 4.549 20 0 JJADRN CCOc1cc(CCCNC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)ccc1OC ZINC001456578418 1066630297 /nfs/dbraw/zinc/63/02/97/1066630297.db2.gz PBRCLOVQRZBURC-UHFFFAOYSA-N 0 0 451.542 4.578 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001456578735 1066630315 /nfs/dbraw/zinc/63/03/15/1066630315.db2.gz QZTARNLASJWNHG-XZOQPEGZSA-N 0 0 458.624 4.568 20 0 JJADRN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC001456579321 1066630349 /nfs/dbraw/zinc/63/03/49/1066630349.db2.gz CBHMLDHXRCBWOZ-UONOGXRCSA-N 0 0 450.320 4.708 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2c(Cl)cccc2Br)cc1 ZINC001456580678 1066630893 /nfs/dbraw/zinc/63/08/93/1066630893.db2.gz AYKNLUWFBRLBTB-UHFFFAOYSA-N 0 0 458.743 4.704 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001361274292 1066630847 /nfs/dbraw/zinc/63/08/47/1066630847.db2.gz CMDXFEGGUIDVRI-AZUAARDMSA-N 0 0 482.654 4.888 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001361274295 1066630886 /nfs/dbraw/zinc/63/08/86/1066630886.db2.gz CMDXFEGGUIDVRI-UYAOXDASSA-N 0 0 482.654 4.888 20 0 JJADRN CCCC[C@H](COC)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001456580637 1066631029 /nfs/dbraw/zinc/63/10/29/1066631029.db2.gz ARFUAZYXIJTHNR-LJGDZFJRSA-N 0 0 452.595 4.809 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001456581200 1066631668 /nfs/dbraw/zinc/63/16/68/1066631668.db2.gz DPRTZUOEHFLQRA-DNQXCXABSA-N 0 0 465.590 4.755 20 0 JJADRN COc1cc(-c2noc(CCCCCNC(=O)c3cc(Cl)nc(C4CC4)c3)n2)ccc1O ZINC001445891360 1066631798 /nfs/dbraw/zinc/63/17/98/1066631798.db2.gz MIBMCBNYQOHVON-UHFFFAOYSA-N 0 0 456.930 4.519 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979573 1066631875 /nfs/dbraw/zinc/63/18/75/1066631875.db2.gz DXPLVHCWSXSNOB-AZUAARDMSA-N 0 0 474.675 4.530 20 0 JJADRN NC(=O)N[C@H](CC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1cccc(Oc2ccccc2)c1 ZINC001445898692 1066632386 /nfs/dbraw/zinc/63/23/86/1066632386.db2.gz DRZMYSLEHQXERR-WIOPSUGQSA-N 0 0 458.562 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC001445902905 1066632522 /nfs/dbraw/zinc/63/25/22/1066632522.db2.gz RCQCCOQLCMAFGA-NRFANRHFSA-N 0 0 452.599 4.777 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361275838 1066632764 /nfs/dbraw/zinc/63/27/64/1066632764.db2.gz YIUAQROJUPFIRG-IBGZPJMESA-N 0 0 480.588 4.577 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001361275453 1066632775 /nfs/dbraw/zinc/63/27/75/1066632775.db2.gz RVBHDPWADNGBTF-UHFFFAOYSA-N 0 0 471.602 4.807 20 0 JJADRN Cn1ccc2ccc(C(=O)Nc3ccc(Br)c(I)c3)cc21 ZINC001361275439 1066632814 /nfs/dbraw/zinc/63/28/14/1066632814.db2.gz VSVXQOYOIVVCOA-UHFFFAOYSA-N 0 0 455.093 4.798 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361276274 1066633530 /nfs/dbraw/zinc/63/35/30/1066633530.db2.gz ACZATNPHUCGJHH-OXJNMPFZSA-N 0 0 476.547 4.991 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001456586327 1066633669 /nfs/dbraw/zinc/63/36/69/1066633669.db2.gz MYCVPFVOPKLAPQ-UHFFFAOYSA-N 0 0 454.933 4.603 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(Cl)c1N ZINC001445911525 1066633762 /nfs/dbraw/zinc/63/37/62/1066633762.db2.gz NACQETPSTQOTOG-UHFFFAOYSA-N 0 0 456.273 4.553 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1coc2c1ccc(C)c2C ZINC001445912829 1066633769 /nfs/dbraw/zinc/63/37/69/1066633769.db2.gz RYNNUPFBNZSLIG-UHFFFAOYSA-N 0 0 454.470 4.956 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)C3(S(=O)(=O)c4ccc(F)cc4)CCCCC3)cc2F)c1 ZINC001456586625 1066633741 /nfs/dbraw/zinc/63/37/41/1066633741.db2.gz CBYNPGJFBWZRIZ-UHFFFAOYSA-N 0 0 459.518 4.574 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 ZINC001456586632 1066633777 /nfs/dbraw/zinc/63/37/77/1066633777.db2.gz KRWVXBWOCJPHNK-LJQANCHMSA-N 0 0 450.485 4.602 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC001361276336 1066634089 /nfs/dbraw/zinc/63/40/89/1066634089.db2.gz CKVVSKYSFKKUMJ-IRXDYDNUSA-N 0 0 460.504 4.658 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC001445912945 1066634312 /nfs/dbraw/zinc/63/43/12/1066634312.db2.gz UNLXVRVTACVEBZ-AWEZNQCLSA-N 0 0 458.502 4.943 20 0 JJADRN Cc1cccc([C@@H](O)CNC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001445913343 1066634321 /nfs/dbraw/zinc/63/43/21/1066634321.db2.gz UZYRAWYGZDMNBB-RBBKRZOGSA-N 0 0 458.327 4.867 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCN(CC(F)(F)F)c4ccccc43)c(=O)oc2c1 ZINC001361277135 1066634898 /nfs/dbraw/zinc/63/48/98/1066634898.db2.gz QKJWFDPPDUGWNQ-UHFFFAOYSA-N 0 0 459.468 4.668 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2nccs2)c(OCC(F)(F)F)c1 ZINC001361277064 1066634981 /nfs/dbraw/zinc/63/49/81/1066634981.db2.gz PUBLCJQPRYBZFP-UHFFFAOYSA-N 0 0 476.528 4.706 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cnc21 ZINC001456590113 1066634996 /nfs/dbraw/zinc/63/49/96/1066634996.db2.gz RACZAFWPEDBMHI-FQEVSTJZSA-N 0 0 454.452 4.675 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CC[C@@H](CCNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001456588379 1066635002 /nfs/dbraw/zinc/63/50/02/1066635002.db2.gz ADFLYMXLVFBCJV-QGZVFWFLSA-N 0 0 459.612 4.976 20 0 JJADRN CCc1ccc([C@H]2COCCN2C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)o1 ZINC001456590616 1066635011 /nfs/dbraw/zinc/63/50/11/1066635011.db2.gz DKYKHIVIKZORFG-LJQANCHMSA-N 0 0 456.589 4.848 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545979713 1066635035 /nfs/dbraw/zinc/63/50/35/1066635035.db2.gz HFCHTZWUEJGLGW-GMAHTHKFSA-N 0 0 492.624 4.530 20 0 JJADRN CC[C@H](CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)Cc1cccc(Br)c1 ZINC001456589017 1066635051 /nfs/dbraw/zinc/63/50/51/1066635051.db2.gz QZFIOGSMZORILW-INIZCTEOSA-N 0 0 456.384 4.739 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361277790 1066635302 /nfs/dbraw/zinc/63/53/02/1066635302.db2.gz FHIMMBUCFXKTFC-HXUWFJFHSA-N 0 0 480.588 4.590 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361277701 1066635368 /nfs/dbraw/zinc/63/53/68/1066635368.db2.gz BHLOCGKXFQICLP-GOSISDBHSA-N 0 0 457.594 4.735 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001445920570 1066635632 /nfs/dbraw/zinc/63/56/32/1066635632.db2.gz AAYWAKIIFMLSBH-BJKOFHAPSA-N 0 0 452.595 4.847 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001445920577 1066635665 /nfs/dbraw/zinc/63/56/65/1066635665.db2.gz AAYWAKIIFMLSBH-ZEQRLZLVSA-N 0 0 452.595 4.847 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456592616 1066635642 /nfs/dbraw/zinc/63/56/42/1066635642.db2.gz JALVZFAGQREQPU-AJTFRIOCSA-N 0 0 450.579 4.518 20 0 JJADRN O=C(CCc1ccc(F)c2c1CCCC2)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445924519 1066635705 /nfs/dbraw/zinc/63/57/05/1066635705.db2.gz UTSROVHVBRWLMO-KRWDZBQOSA-N 0 0 453.476 4.503 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001492598400 1066636071 /nfs/dbraw/zinc/63/60/71/1066636071.db2.gz MPFTZQRFKBEKPL-QGZVFWFLSA-N 0 0 458.393 4.939 20 0 JJADRN CC1CCN(c2ccc(F)cc2NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC001456593336 1066636116 /nfs/dbraw/zinc/63/61/16/1066636116.db2.gz RGZOTVRARSHFCS-UHFFFAOYSA-N 0 0 459.319 4.537 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C(C)(C)CCCc3ccccc3)CC2)c(C)c1 ZINC001456593288 1066636173 /nfs/dbraw/zinc/63/61/73/1066636173.db2.gz GOISAEKFESYUFB-HSZRJFAPSA-N 0 0 450.623 4.791 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361278454 1066636108 /nfs/dbraw/zinc/63/61/08/1066636108.db2.gz XYCNQVSXJMPDCP-JOCHJYFZSA-N 0 0 476.625 4.746 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929530 1066636202 /nfs/dbraw/zinc/63/62/02/1066636202.db2.gz YERZBSIHDVSLRV-WMZOPIPTSA-N 0 0 453.501 4.617 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 ZINC001361279579 1066636655 /nfs/dbraw/zinc/63/66/55/1066636655.db2.gz XTJDCXWTBXGXLJ-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN CC[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545979888 1066636825 /nfs/dbraw/zinc/63/68/25/1066636825.db2.gz KEGJRWKFRTYCMV-RTBURBONSA-N 0 0 482.629 4.593 20 0 JJADRN CCn1ncc(Br)c1C(=O)N[C@@H](C)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001361280036 1066637361 /nfs/dbraw/zinc/63/73/61/1066637361.db2.gz SSSKRTMHBYZNTL-KRWDZBQOSA-N 0 0 456.384 4.914 20 0 JJADRN CCC[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N1CCc2sccc2C1 ZINC001361280030 1066637392 /nfs/dbraw/zinc/63/73/92/1066637392.db2.gz SNLNGKHEMOSEEV-FQEVSTJZSA-N 0 0 456.995 4.803 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)COc3ccc4ccc(=O)oc4c3)cc2)cc1 ZINC001361279956 1066637484 /nfs/dbraw/zinc/63/74/84/1066637484.db2.gz QFDHKNHAADUXCE-HXUWFJFHSA-N 0 0 457.526 4.807 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(O)cc3)ccc2C)cc1 ZINC001445937397 1066637490 /nfs/dbraw/zinc/63/74/90/1066637490.db2.gz KNGDNUKTRCDQNP-UHFFFAOYSA-N 0 0 452.576 4.774 20 0 JJADRN CCC[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N1CCc2sccc2C1 ZINC001361280031 1066637557 /nfs/dbraw/zinc/63/75/57/1066637557.db2.gz SNLNGKHEMOSEEV-HXUWFJFHSA-N 0 0 456.995 4.803 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COc1ccc2c(c1)CCC2 ZINC001456600114 1066637972 /nfs/dbraw/zinc/63/79/72/1066637972.db2.gz RFUFRUZTKIZREM-RPWUZVMVSA-N 0 0 450.579 4.592 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)COc1ccc2c(c1)CCC2 ZINC001456600106 1066638007 /nfs/dbraw/zinc/63/80/07/1066638007.db2.gz RFUFRUZTKIZREM-DNQXCXABSA-N 0 0 450.579 4.592 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC001445942974 1066638148 /nfs/dbraw/zinc/63/81/48/1066638148.db2.gz ZGZLNHOXRRIRCZ-PPIPHAKBSA-N 0 0 451.607 4.812 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001361281192 1066638808 /nfs/dbraw/zinc/63/88/08/1066638808.db2.gz BHPRAGQACVOJBL-NRSPTQNISA-N 0 0 457.594 4.544 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c(C)c1 ZINC001361281020 1066638858 /nfs/dbraw/zinc/63/88/58/1066638858.db2.gz VGEAEACHDZZIIA-LJQANCHMSA-N 0 0 452.603 4.964 20 0 JJADRN CC(C)C(=O)Nc1ccc(OC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001445944676 1066638805 /nfs/dbraw/zinc/63/88/05/1066638805.db2.gz HGUSBJFDQBWYJU-UHFFFAOYSA-N 0 0 452.551 4.722 20 0 JJADRN COc1cc(NC(=O)c2ccccc2Oc2cccc(Br)c2)ccc1NC(N)=O ZINC001445946610 1066638830 /nfs/dbraw/zinc/63/88/30/1066638830.db2.gz QDQXJZPQJWPPPE-UHFFFAOYSA-N 0 0 456.296 4.993 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)cc1OC ZINC001456603292 1066639342 /nfs/dbraw/zinc/63/93/42/1066639342.db2.gz JEINWXADABHVFV-MRXNPFEDSA-N 0 0 450.329 4.703 20 0 JJADRN CC(C)(C)OC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC001445955166 1066639397 /nfs/dbraw/zinc/63/93/97/1066639397.db2.gz UYCRPYQCUIZLFS-UHFFFAOYSA-N 0 0 450.988 4.561 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccc(O)cc3)cc2)cc1C ZINC001445951749 1066639435 /nfs/dbraw/zinc/63/94/35/1066639435.db2.gz NKBRHOCWAYBKAI-IBGZPJMESA-N 0 0 452.576 4.561 20 0 JJADRN CC[C@]1(C(=O)N2CCc3c(F)cc(Br)cc3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445951647 1066639522 /nfs/dbraw/zinc/63/95/22/1066639522.db2.gz NAFYXXGHUADADL-NRFANRHFSA-N 0 0 455.368 4.510 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CCc2c(F)cc(Br)cc2C1 ZINC001445955410 1066639576 /nfs/dbraw/zinc/63/95/76/1066639576.db2.gz XQOYRKLBZDJZDJ-UHFFFAOYSA-N 0 0 457.137 4.705 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361282258 1066640052 /nfs/dbraw/zinc/64/00/52/1066640052.db2.gz QUKBHHDIELZOLS-IEBWSBKVSA-N 0 0 452.521 4.562 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C(=O)N1CCOCC1 ZINC001361282109 1066640089 /nfs/dbraw/zinc/64/00/89/1066640089.db2.gz INYKRRKWFGUFIY-SFHVURJKSA-N 0 0 453.391 4.512 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001361282034 1066640114 /nfs/dbraw/zinc/64/01/14/1066640114.db2.gz NIMJRYCCOMBLLG-MJGOQNOKSA-N 0 0 489.686 4.815 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(CCCCO)C2CC2)s1 ZINC001361282513 1066640231 /nfs/dbraw/zinc/64/02/31/1066640231.db2.gz SVTFVWJUFUBDPO-UHFFFAOYSA-N 0 0 489.686 4.552 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001456603847 1066640181 /nfs/dbraw/zinc/64/01/81/1066640181.db2.gz KOXDCSONBKFTAJ-QGZVFWFLSA-N 0 0 451.544 4.777 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCS[C@H](C)C2)c(F)c1 ZINC001361282758 1066640856 /nfs/dbraw/zinc/64/08/56/1066640856.db2.gz WQDPCZWCBVKHAB-GOSISDBHSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)C[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361282782 1066641013 /nfs/dbraw/zinc/64/10/13/1066641013.db2.gz WXMHFPJHKQMQDW-WSTZPKSXSA-N 0 0 466.548 4.952 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC001456605954 1066640953 /nfs/dbraw/zinc/64/09/53/1066640953.db2.gz LOFQRUTZMJJAQY-IAGOWNOFSA-N 0 0 456.391 4.658 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361283078 1066641410 /nfs/dbraw/zinc/64/14/10/1066641410.db2.gz ZPADUWXQXDHNGC-DEOSSOPVSA-N 0 0 497.684 4.921 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)COC)CCO1 ZINC001546083399 1066641421 /nfs/dbraw/zinc/64/14/21/1066641421.db2.gz MVVYKRIZHYGRCU-SBUREZEXSA-N 0 0 451.011 4.749 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)Cc1cccc(Br)c1 ZINC001456607571 1066641505 /nfs/dbraw/zinc/64/15/05/1066641505.db2.gz RVMGLBRCCXANKG-WZONZLPQSA-N 0 0 457.412 4.888 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361283066 1066641519 /nfs/dbraw/zinc/64/15/19/1066641519.db2.gz ZJRCUEWUAGGGLV-FYYLOGMGSA-N 0 0 483.657 4.530 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361283067 1066641534 /nfs/dbraw/zinc/64/15/34/1066641534.db2.gz ZJRCUEWUAGGGLV-GGAORHGYSA-N 0 0 483.657 4.530 20 0 JJADRN CCCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456607081 1066641611 /nfs/dbraw/zinc/64/16/11/1066641611.db2.gz SJOHSTFPDIZXKN-RUZDIDTESA-N 0 0 454.567 4.585 20 0 JJADRN CCC[C@@H](C(=O)N[C@H](CCO)C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001445978483 1066641724 /nfs/dbraw/zinc/64/17/24/1066641724.db2.gz DALLJRKLJJSPRO-RPBOFIJWSA-N 0 0 452.595 4.559 20 0 JJADRN Cc1cc(-c2nc(C(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)co2)ccn1 ZINC001456609263 1066642222 /nfs/dbraw/zinc/64/22/22/1066642222.db2.gz WJHQHVGAIDWXCX-UHFFFAOYSA-N 0 0 454.530 4.636 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)C)C2)c(F)c1 ZINC001361284162 1066642277 /nfs/dbraw/zinc/64/22/77/1066642277.db2.gz ANGHYEIQDRHBRF-KNQAVFIVSA-N 0 0 487.620 4.565 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)o1 ZINC001456609054 1066642370 /nfs/dbraw/zinc/64/23/70/1066642370.db2.gz UYRKHCHUUZMYHN-QPPBQGQZSA-N 0 0 452.595 4.993 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)NC2(c3c(Cl)cccc3Cl)CC2)cs1 ZINC001445989054 1066642596 /nfs/dbraw/zinc/64/25/96/1066642596.db2.gz GFYUIUROBXKIQE-UHFFFAOYSA-N 0 0 456.395 4.823 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)cc1OC ZINC001361284532 1066642783 /nfs/dbraw/zinc/64/27/83/1066642783.db2.gz VKEBALOCXYCCPO-FQEVSTJZSA-N 0 0 453.922 4.842 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361284889 1066642957 /nfs/dbraw/zinc/64/29/57/1066642957.db2.gz LFHRFBDKKQAVBE-OAQYLSRUSA-N 0 0 455.647 4.965 20 0 JJADRN Cc1noc(C)c1CSCC(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 ZINC001456610515 1066642886 /nfs/dbraw/zinc/64/28/86/1066642886.db2.gz YEUMTCDABRWDKB-UHFFFAOYSA-N 0 0 451.592 4.502 20 0 JJADRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001445996317 1066643214 /nfs/dbraw/zinc/64/32/14/1066643214.db2.gz KMFCEMCPKSAVBV-KRWDZBQOSA-N 0 0 456.539 4.734 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C)C(C)(C)C2)c(N2CCOCC2)c1 ZINC001361285037 1066643741 /nfs/dbraw/zinc/64/37/41/1066643741.db2.gz OQZGMOQESRLUQS-NRFANRHFSA-N 0 0 453.675 4.932 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)ccc1F ZINC001456614341 1066644263 /nfs/dbraw/zinc/64/42/63/1066644263.db2.gz JBGXMYIAGAJIQH-UHFFFAOYSA-N 0 0 458.477 4.592 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@]3(CCO[C@@H]3C)C2)c(OCC(F)(F)F)c1 ZINC001361285881 1066644395 /nfs/dbraw/zinc/64/43/95/1066644395.db2.gz HBOGLVSFYBXLQO-KOSHJBKYSA-N 0 0 496.574 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccccc3-n3cccn3)CC2)CC1 ZINC001456615754 1066645033 /nfs/dbraw/zinc/64/50/33/1066645033.db2.gz DSYAXMNXRURCGB-HXUWFJFHSA-N 0 0 452.599 4.762 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)c(O[C@H]2CCOC2)c1 ZINC001361286545 1066645059 /nfs/dbraw/zinc/64/50/59/1066645059.db2.gz SXOJONAJQSVLEX-GMAHTHKFSA-N 0 0 470.658 4.642 20 0 JJADRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001361286657 1066645834 /nfs/dbraw/zinc/64/58/34/1066645834.db2.gz SPNIPXWDSDPWNY-YJBOKZPZSA-N 0 0 450.423 4.681 20 0 JJADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)n1 ZINC001456618247 1066646279 /nfs/dbraw/zinc/64/62/79/1066646279.db2.gz SXONBBLYMMUESF-UHFFFAOYSA-N 0 0 459.298 4.699 20 0 JJADRN C[C@H]1CN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456618154 1066646317 /nfs/dbraw/zinc/64/63/17/1066646317.db2.gz JAOUOLDDBNICLP-KBPBESRZSA-N 0 0 451.539 4.711 20 0 JJADRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC001446018853 1066646291 /nfs/dbraw/zinc/64/62/91/1066646291.db2.gz SXNSQHHTWIVRLF-IFMALSPDSA-N 0 0 457.979 4.945 20 0 JJADRN CC[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC ZINC001361288478 1066646335 /nfs/dbraw/zinc/64/63/35/1066646335.db2.gz GTCSRLAUAKAFEJ-XMSQKQJNSA-N 0 0 450.608 4.608 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492598465 1066647081 /nfs/dbraw/zinc/64/70/81/1066647081.db2.gz NISMWEPKFJWELP-AZUAARDMSA-N 0 0 481.666 4.918 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000100445306 1066647158 /nfs/dbraw/zinc/64/71/58/1066647158.db2.gz XBXHAEJHPOMUJW-UHFFFAOYSA-N 0 0 451.386 4.655 20 0 JJADRN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001446026092 1066647162 /nfs/dbraw/zinc/64/71/62/1066647162.db2.gz RUYWLMFIGCFROB-GNISGLHKSA-N 0 0 455.356 4.780 20 0 JJADRN CN(Cc1ccc(O)cc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001446025207 1066647311 /nfs/dbraw/zinc/64/73/11/1066647311.db2.gz PRJPPYLXEUGSJH-UHFFFAOYSA-N 0 0 458.465 4.992 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@@H]1C(F)(F)F)N1CC(Cc2ccc(Br)cc2)C1 ZINC001456621665 1066647744 /nfs/dbraw/zinc/64/77/44/1066647744.db2.gz ANYXJJSWVYKXHD-IBGZPJMESA-N 0 0 452.270 4.857 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(F)(F)F ZINC001492598536 1066647734 /nfs/dbraw/zinc/64/77/34/1066647734.db2.gz MDOBQDSMBXJEQW-UHFFFAOYSA-N 0 0 479.503 4.562 20 0 JJADRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001446030172 1066647797 /nfs/dbraw/zinc/64/77/97/1066647797.db2.gz FUZYNHLSCDCDKL-YADARESESA-N 0 0 450.485 4.623 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001492598644 1066647871 /nfs/dbraw/zinc/64/78/71/1066647871.db2.gz NRMVURGIZCTNTR-HSZRJFAPSA-N 0 0 499.656 4.600 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)C ZINC001492598702 1066648499 /nfs/dbraw/zinc/64/84/99/1066648499.db2.gz PCTDZHPAYQZPSX-UHFFFAOYSA-N 0 0 460.420 4.916 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001492598819 1066648544 /nfs/dbraw/zinc/64/85/44/1066648544.db2.gz PTPKRWGIABNQPU-VSKRKVRLSA-N 0 0 499.656 4.741 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC001446032776 1066648502 /nfs/dbraw/zinc/64/85/02/1066648502.db2.gz ZOZROKWNLCNYQI-XMMPIXPASA-N 0 0 455.583 4.510 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001446034107 1066648718 /nfs/dbraw/zinc/64/87/18/1066648718.db2.gz IZCBNEZBPHSMCM-PKNBQFBNSA-N 0 0 452.963 4.772 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(CC[C@@H](O)c4ccccc4)c3)CC(=O)N2C)cc1 ZINC001446034279 1066649179 /nfs/dbraw/zinc/64/91/79/1066649179.db2.gz JGWNVVMEOSQGAG-RGSZASNESA-N 0 0 458.558 4.520 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(CC[C@@H](O)c4ccccc4)c3)CC(=O)N2C)cc1 ZINC001446034283 1066649293 /nfs/dbraw/zinc/64/92/93/1066649293.db2.gz JGWNVVMEOSQGAG-ZWEKWIFMSA-N 0 0 458.558 4.520 20 0 JJADRN CC(C)c1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC001456626536 1066649518 /nfs/dbraw/zinc/64/95/18/1066649518.db2.gz BEUYCBVTFSVENN-IAGOWNOFSA-N 0 0 461.006 4.882 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C2CCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001492599322 1066649739 /nfs/dbraw/zinc/64/97/39/1066649739.db2.gz XJCNSBIQZRRHAS-UHFFFAOYSA-N 0 0 469.630 4.626 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492599616 1066650547 /nfs/dbraw/zinc/65/05/47/1066650547.db2.gz ZNDBQUKMNBEMDA-JTHBVZDNSA-N 0 0 463.626 4.824 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001546083771 1066650774 /nfs/dbraw/zinc/65/07/74/1066650774.db2.gz SRVDFWTZCSYSDU-LIXHSBQKSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001492599201 1066651247 /nfs/dbraw/zinc/65/12/47/1066651247.db2.gz VTKKJYLQUIXVNW-HXUWFJFHSA-N 0 0 481.607 4.965 20 0 JJADRN Cc1ccccc1OCCCn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492600197 1066652462 /nfs/dbraw/zinc/65/24/62/1066652462.db2.gz ITDWLTNLZNKICQ-HSZRJFAPSA-N 0 0 451.640 4.619 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1(C)C ZINC001492600058 1066652506 /nfs/dbraw/zinc/65/25/06/1066652506.db2.gz HLLISEFQCZBSIA-QFQXNSOFSA-N 0 0 488.698 4.674 20 0 JJADRN O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001446052194 1066652598 /nfs/dbraw/zinc/65/25/98/1066652598.db2.gz XBIXJVNHMJZZOF-AWEZNQCLSA-N 0 0 455.274 4.936 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)c1nc(C)c(C(=O)OCC)s1 ZINC001456633906 1066652745 /nfs/dbraw/zinc/65/27/45/1066652745.db2.gz ANCNDHBHZMFINF-OXJNMPFZSA-N 0 0 457.596 4.960 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N[C@@H](CC(C)C)c3cc(Cl)ccc3OC)CC2=O)cc1 ZINC001456635082 1066653531 /nfs/dbraw/zinc/65/35/31/1066653531.db2.gz HIMNBHKGINRDDZ-GCJKJVERSA-N 0 0 458.986 4.609 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncccc1C ZINC001492600626 1066653716 /nfs/dbraw/zinc/65/37/16/1066653716.db2.gz PYJWUFZAXCSLQM-UHFFFAOYSA-N 0 0 495.425 4.621 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001492600509 1066653792 /nfs/dbraw/zinc/65/37/92/1066653792.db2.gz NPFWFELRKKJQOK-HLAWJBBLSA-N 0 0 496.574 4.742 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@H](CCO)C1CCCCC1 ZINC001446063856 1066653943 /nfs/dbraw/zinc/65/39/43/1066653943.db2.gz APCOFCURDUANGQ-OAQYLSRUSA-N 0 0 455.986 4.716 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC001446066603 1066654053 /nfs/dbraw/zinc/65/40/53/1066654053.db2.gz JUGFNVRDUPAXMI-WMZOPIPTSA-N 0 0 456.587 4.622 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492600837 1066654493 /nfs/dbraw/zinc/65/44/93/1066654493.db2.gz RUNOEQRGCRIDGS-JOCHJYFZSA-N 0 0 492.624 4.611 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1C(C)(C)C ZINC001492601100 1066655143 /nfs/dbraw/zinc/65/51/43/1066655143.db2.gz WPOSSVKTCDJDSM-HXUWFJFHSA-N 0 0 471.646 4.799 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001446071931 1066655349 /nfs/dbraw/zinc/65/53/49/1066655349.db2.gz QMAGHQISIDSRJQ-LGGPRVQUSA-N 0 0 450.048 4.803 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)c1nc(C)c(C(=O)OCC)s1 ZINC001456640239 1066655456 /nfs/dbraw/zinc/65/54/56/1066655456.db2.gz NIERITBSZYRBSI-HOCLYGCPSA-N 0 0 455.621 4.795 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492601257 1066655880 /nfs/dbraw/zinc/65/58/80/1066655880.db2.gz ZUIXHZRRGCIBQQ-HOFKKMOUSA-N 0 0 470.658 4.969 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2)c1C ZINC001446078687 1066656005 /nfs/dbraw/zinc/65/60/05/1066656005.db2.gz VTRQXLOTCAHXBQ-UWJYYQICSA-N 0 0 454.615 4.817 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C2CCCCC2)CCO1 ZINC001546084065 1066656105 /nfs/dbraw/zinc/65/61/05/1066656105.db2.gz XGGKFBRMZZHUGN-RBISFHTESA-N 0 0 497.684 4.831 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492600923 1066656325 /nfs/dbraw/zinc/65/63/25/1066656325.db2.gz UFZAPDIFRJPYEP-VQTJNVASSA-N 0 0 455.628 4.646 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CCc1nccc(C(F)(F)F)n1 ZINC001492601499 1066656363 /nfs/dbraw/zinc/65/63/63/1066656363.db2.gz DLJLFEBLOZGWDH-UHFFFAOYSA-N 0 0 476.547 4.742 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492601722 1066656423 /nfs/dbraw/zinc/65/64/23/1066656423.db2.gz HRQVXBLVWUVGIT-HXUWFJFHSA-N 0 0 471.646 4.748 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C ZINC001492601712 1066656476 /nfs/dbraw/zinc/65/64/76/1066656476.db2.gz HJECXUOAXMVBQL-YBMQWUKTSA-N 0 0 470.658 4.571 20 0 JJADRN O=C(N[C@H](CCO)C1CCCCC1)c1cc(I)c(Cl)cc1Cl ZINC001446078755 1066656806 /nfs/dbraw/zinc/65/68/06/1066656806.db2.gz XYHZWSZXQBZXFB-OAHLLOKOSA-N 0 0 456.151 4.659 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456644497 1066656909 /nfs/dbraw/zinc/65/69/09/1066656909.db2.gz CNIQKZZWQLWFND-CYBMUJFWSA-N 0 0 459.395 4.785 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1F ZINC001456647486 1066657358 /nfs/dbraw/zinc/65/73/58/1066657358.db2.gz JJLFEKIBMYLKAE-UHFFFAOYSA-N 0 0 455.486 4.945 20 0 JJADRN 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ZINC001492602291 1066657672 /nfs/dbraw/zinc/65/76/72/1066657672.db2.gz PIYCDJLEYJODCZ-NRFANRHFSA-N 0 0 481.597 4.815 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492602102 1066657692 /nfs/dbraw/zinc/65/76/92/1066657692.db2.gz NAFFNIHVPQAKQF-UHFFFAOYSA-N 0 0 496.537 4.744 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CSc2nnnn2C2CCCC2)c(C)c1 ZINC001456649709 1066658112 /nfs/dbraw/zinc/65/81/12/1066658112.db2.gz XATGTCXRLRINRE-UHFFFAOYSA-N 0 0 453.616 4.619 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C(\C)c1cccc(Cl)c1 ZINC001446091280 1066658153 /nfs/dbraw/zinc/65/81/53/1066658153.db2.gz BYRKUQPEHMOWFH-DTQAZKPQSA-N 0 0 450.004 4.844 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2CCOC2)CCO1 ZINC001546084096 1066658714 /nfs/dbraw/zinc/65/87/14/1066658714.db2.gz XQLCGHKWYZBSLO-YDIMBITNSA-N 0 0 463.022 4.730 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001492602557 1066658948 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20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492604822 1066661217 /nfs/dbraw/zinc/66/12/17/1066661217.db2.gz GPIUYIADVSQWNW-HXUWFJFHSA-N 0 0 483.016 4.844 20 0 JJADRN Cc1ccccc1OCCn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492604635 1066661357 /nfs/dbraw/zinc/66/13/57/1066661357.db2.gz ZNMLMYHGCPZCGR-QHCPKHFHSA-N 0 0 481.424 4.605 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545980659 1066661276 /nfs/dbraw/zinc/66/12/76/1066661276.db2.gz XUIOFTLTCYJSAV-NRFANRHFSA-N 0 0 494.640 4.905 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545980660 1066661359 /nfs/dbraw/zinc/66/13/59/1066661359.db2.gz XUIOFTLTCYJSAV-OAQYLSRUSA-N 0 0 494.640 4.905 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccccn1 ZINC001492605103 1066662104 /nfs/dbraw/zinc/66/21/04/1066662104.db2.gz PUODNATVFGWECE-UHFFFAOYSA-N 0 0 467.346 4.630 20 0 JJADRN Cc1ccccc1OCCn1c(CC2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492604569 1066662541 /nfs/dbraw/zinc/66/25/41/1066662541.db2.gz WYIXOJXGTATSRZ-RBBKRZOGSA-N 0 0 483.657 4.748 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)C1 ZINC001492605323 1066662547 /nfs/dbraw/zinc/66/25/47/1066662547.db2.gz YRQLNSHNDVNLOK-UHFFFAOYSA-N 0 0 462.342 4.783 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001492605322 1066662614 /nfs/dbraw/zinc/66/26/14/1066662614.db2.gz YQNCVBGWHCVPRO-UHFFFAOYSA-N 0 0 487.435 4.698 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001492605224 1066662619 /nfs/dbraw/zinc/66/26/19/1066662619.db2.gz UINAGFLXNZUBKV-INIZCTEOSA-N 0 0 451.372 4.985 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492605312 1066662639 /nfs/dbraw/zinc/66/26/39/1066662639.db2.gz YIBRVTIUNRKZSG-SFHVURJKSA-N 0 0 483.016 4.844 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)ccc1F ZINC001446117008 1066662554 /nfs/dbraw/zinc/66/25/54/1066662554.db2.gz UFOGXYJXTSHVDM-DNVCBOLYSA-N 0 0 454.502 4.627 20 0 JJADRN Cc1cccnc1Cn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492605793 1066663268 /nfs/dbraw/zinc/66/32/68/1066663268.db2.gz NBWLYAHCYVAIQI-FQEVSTJZSA-N 0 0 454.619 4.523 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492605184 1066663291 /nfs/dbraw/zinc/66/32/91/1066663291.db2.gz SRRAYSHZZPNKPM-SFHVURJKSA-N 0 0 488.405 4.850 20 0 JJADRN CCCCCOc1cc(C)ccc1CNC(=O)c1cccc(I)c1N ZINC001446135834 1066663373 /nfs/dbraw/zinc/66/33/73/1066663373.db2.gz JJTTXWIBYXFDGM-UHFFFAOYSA-N 0 0 452.336 4.681 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC001446130165 1066663416 /nfs/dbraw/zinc/66/34/16/1066663416.db2.gz XZWWXISVQQRQKM-INIZCTEOSA-N 0 0 450.004 4.977 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492606068 1066663714 /nfs/dbraw/zinc/66/37/14/1066663714.db2.gz UJMAHJJFAIRYOM-UHFFFAOYSA-N 0 0 470.662 4.702 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001492606364 1066663816 /nfs/dbraw/zinc/66/38/16/1066663816.db2.gz CSPSUSSBRSBMQW-SJLPKXTDSA-N 0 0 470.415 4.854 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492606086 1066663828 /nfs/dbraw/zinc/66/38/28/1066663828.db2.gz UQQVGTGBKTUPOD-LJQANCHMSA-N 0 0 482.654 4.842 20 0 JJADRN Cc1cccnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492606085 1066663833 /nfs/dbraw/zinc/66/38/33/1066663833.db2.gz UQQVGTGBKTUPOD-IBGZPJMESA-N 0 0 482.654 4.842 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1S(=O)(=O)NC(C)(C)C ZINC001456672711 1066664379 /nfs/dbraw/zinc/66/43/79/1066664379.db2.gz ZXEFAWYYEXDPKR-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674076 1066664450 /nfs/dbraw/zinc/66/44/50/1066664450.db2.gz TTXPVPCSTWNLBF-CZUORRHYSA-N 0 0 458.527 4.520 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC001456672138 1066664474 /nfs/dbraw/zinc/66/44/74/1066664474.db2.gz YVXXTTZYJOWVBE-ZDUSSCGKSA-N 0 0 459.395 4.785 20 0 JJADRN Cc1cccnc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492606551 1066664477 /nfs/dbraw/zinc/66/44/77/1066664477.db2.gz KNFLDMNTZALAPM-UNMCSNQZSA-N 0 0 482.673 4.892 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001492606687 1066664570 /nfs/dbraw/zinc/66/45/70/1066664570.db2.gz OYOJDROMFGDPLA-IBGZPJMESA-N 0 0 454.644 4.560 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001446141312 1066664700 /nfs/dbraw/zinc/66/47/00/1066664700.db2.gz GPXDXXRVQWYFCH-JOCHJYFZSA-N 0 0 452.917 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCc2ccccc2OCC2CC2)(c2ccccc2)C1 ZINC001456684919 1066665844 /nfs/dbraw/zinc/66/58/44/1066665844.db2.gz LUCXJRSKHMEXDP-MHZLTWQESA-N 0 0 450.579 4.670 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@H]3[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492607211 1066665850 /nfs/dbraw/zinc/66/58/50/1066665850.db2.gz IRKDWAITOGPLSQ-UNMCSNQZSA-N 0 0 498.672 4.798 20 0 JJADRN Cc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001492607109 1066665945 /nfs/dbraw/zinc/66/59/45/1066665945.db2.gz FORODAITSCTDFV-UHFFFAOYSA-N 0 0 475.515 4.636 20 0 JJADRN O=C(C/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC001456685438 1066665879 /nfs/dbraw/zinc/66/58/79/1066665879.db2.gz ADTHHFNNMUMGFL-OWOJBTEDSA-N 0 0 459.365 4.645 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001456683158 1066665889 /nfs/dbraw/zinc/66/58/89/1066665889.db2.gz WURAGDISUWLDLU-UHFFFAOYSA-N 0 0 455.443 4.868 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2C[C@@](C)(O)C2CCCCC2)cc1C ZINC001492607591 1066666324 /nfs/dbraw/zinc/66/63/24/1066666324.db2.gz ACRTTZUJTBYQOG-AREMUKBSSA-N 0 0 451.615 4.635 20 0 JJADRN Cc1cccnc1Cn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001492607459 1066666364 /nfs/dbraw/zinc/66/63/64/1066666364.db2.gz QKGOXNFOOXGHNU-FQEVSTJZSA-N 0 0 470.415 4.668 20 0 JJADRN Cc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001446146103 1066666388 /nfs/dbraw/zinc/66/63/88/1066666388.db2.gz OSDZFZDZYFXOMN-VXKWHMMOSA-N 0 0 455.618 4.774 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@H]4CCCO4)n3CCCSCC(C)C)CC2)c1 ZINC001492607629 1066666425 /nfs/dbraw/zinc/66/64/25/1066666425.db2.gz BROWEBZFQWOAHF-OAQYLSRUSA-N 0 0 459.660 4.660 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492607764 1066667192 /nfs/dbraw/zinc/66/71/92/1066667192.db2.gz YMZIFXPAFAHVAX-UNMCSNQZSA-N 0 0 466.630 4.894 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3CCN(C(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC001492607767 1066667318 /nfs/dbraw/zinc/66/73/18/1066667318.db2.gz YOVYGAJYUWKHDI-UHFFFAOYSA-N 0 0 484.645 4.552 20 0 JJADRN O=C(N1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC001456688287 1066667375 /nfs/dbraw/zinc/66/73/75/1066667375.db2.gz 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ZINC001492609310 1066670409 /nfs/dbraw/zinc/67/04/09/1066670409.db2.gz OKMGFVFXADDKAB-JOCHJYFZSA-N 0 0 490.833 4.764 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)NCc2ccccc2)C1 ZINC001492609614 1066671086 /nfs/dbraw/zinc/67/10/86/1066671086.db2.gz XJXMSXKVXSHYNF-UHFFFAOYSA-N 0 0 486.439 4.632 20 0 JJADRN Cc1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)c(I)cc1Cl ZINC001456712283 1066672198 /nfs/dbraw/zinc/67/21/98/1066672198.db2.gz KLRNUNSCWUIYCT-UHFFFAOYSA-N 0 0 458.702 4.879 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545982411 1066672714 /nfs/dbraw/zinc/67/27/14/1066672714.db2.gz LMLSMPSMNRGMLK-VQTJNVASSA-N 0 0 487.620 4.988 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 ZINC001456716344 1066672978 /nfs/dbraw/zinc/67/29/78/1066672978.db2.gz IAKMUANEKXETJJ-DEOSSOPVSA-N 0 0 453.579 4.579 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 ZINC001456713561 1066673056 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ZINC001456738445 1066678300 /nfs/dbraw/zinc/67/83/00/1066678300.db2.gz ROIMKFOTWPYELT-UHFFFAOYSA-N 0 0 456.321 4.881 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001492614442 1066678877 /nfs/dbraw/zinc/67/88/77/1066678877.db2.gz FQWMMZCMHHPVML-MRXNPFEDSA-N 0 0 491.493 4.635 20 0 JJADRN CC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](F)c2ccc(Br)cc2)CC1 ZINC001492614330 1066679026 /nfs/dbraw/zinc/67/90/26/1066679026.db2.gz CDLAXFVTMINYJX-SFHVURJKSA-N 0 0 485.361 4.555 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N2CCCCCC2)CC1 ZINC001492614586 1066679038 /nfs/dbraw/zinc/67/90/38/1066679038.db2.gz KCTZYQLVDJGZPX-HXUWFJFHSA-N 0 0 455.578 4.506 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446246406 1066679642 /nfs/dbraw/zinc/67/96/42/1066679642.db2.gz SDRTZXRDHHTMLU-JQHSSLGASA-N 0 0 454.514 4.602 20 0 JJADRN COC(=O)c1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c(O)c(OC)c1 ZINC001456745341 1066679636 /nfs/dbraw/zinc/67/96/36/1066679636.db2.gz JTRUUMPFDSWOFX-UHFFFAOYSA-N 0 0 450.516 4.819 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492614651 1066679686 /nfs/dbraw/zinc/67/96/86/1066679686.db2.gz LSZKPSSDPBNOGV-OALUTQOASA-N 0 0 473.593 4.969 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492614733 1066679722 /nfs/dbraw/zinc/67/97/22/1066679722.db2.gz NXIKFGVFZTUGJD-UQBPGWFLSA-N 0 0 454.546 4.831 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(Br)c1 ZINC001456743371 1066679725 /nfs/dbraw/zinc/67/97/25/1066679725.db2.gz FHDXLYUYRYHXGS-KRWDZBQOSA-N 0 0 457.434 4.523 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCCSCC(C)C)c2)c1 ZINC001446247565 1066679706 /nfs/dbraw/zinc/67/97/06/1066679706.db2.gz ZAOYBOYIVCHZID-UHFFFAOYSA-N 0 0 455.045 4.958 20 0 JJADRN Cc1nn(CC(F)(F)F)cc1C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001446257024 1066680284 /nfs/dbraw/zinc/68/02/84/1066680284.db2.gz 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KMHPKDSZYOMDEW-UHFFFAOYSA-N 0 0 498.425 4.894 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456765475 1066683123 /nfs/dbraw/zinc/68/31/23/1066683123.db2.gz IWMQQVJHBVERRB-INIZCTEOSA-N 0 0 453.852 4.833 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)cc1 ZINC001456765581 1066683296 /nfs/dbraw/zinc/68/32/96/1066683296.db2.gz QGYIGNAGYMPEOH-GOSISDBHSA-N 0 0 452.551 4.800 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC001456764409 1066683305 /nfs/dbraw/zinc/68/33/05/1066683305.db2.gz FRUQEJUNIILONB-VGOFRKELSA-N 0 0 475.467 4.847 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(I)cc2)CC1 ZINC001492616182 1066683898 /nfs/dbraw/zinc/68/38/98/1066683898.db2.gz NZJYUFMUCDYCDD-UHFFFAOYSA-N 0 0 491.764 4.803 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)nc(N2CCCCC2)n1 ZINC001446276544 1066683875 /nfs/dbraw/zinc/68/38/75/1066683875.db2.gz VOASGCNRIHRKFC-UHFFFAOYSA-N 0 0 450.562 4.603 20 0 JJADRN COc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1OC(F)F ZINC001456767179 1066684024 /nfs/dbraw/zinc/68/40/24/1066684024.db2.gz AIXFTAIATORQKG-UHFFFAOYSA-N 0 0 457.458 4.963 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)CC3CC(NC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001446276306 1066683959 /nfs/dbraw/zinc/68/39/59/1066683959.db2.gz OVNGXOFOFBFLJV-UHFFFAOYSA-N 0 0 454.567 4.840 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=C(C)CC1 ZINC001492617271 1066684429 /nfs/dbraw/zinc/68/44/29/1066684429.db2.gz BVINUEAQFBXVIX-UHFFFAOYSA-N 0 0 472.659 4.557 20 0 JJADRN Cc1ccc(OCCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=C(C)CC2)cc1 ZINC001492617326 1066684493 /nfs/dbraw/zinc/68/44/93/1066684493.db2.gz CPIDXNXGFXXLFA-QHCPKHFHSA-N 0 0 497.640 4.520 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001492617125 1066684530 /nfs/dbraw/zinc/68/45/30/1066684530.db2.gz XNGGQMNDVYRTOR-UHFFFAOYSA-N 0 0 465.451 4.674 20 0 JJADRN Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)nn1-c1ccc(Cl)cc1Cl ZINC001456768988 1066684580 /nfs/dbraw/zinc/68/45/80/1066684580.db2.gz ITHJMOLORIVBQQ-NRFANRHFSA-N 0 0 457.361 4.755 20 0 JJADRN Cc1cc(NC(=O)c2cnnn2-c2ccccc2Br)ccc1OCC(F)(F)F ZINC001456769753 1066684621 /nfs/dbraw/zinc/68/46/21/1066684621.db2.gz WNHROJPGEWJKOY-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(F)(F)F)CC1 ZINC001492617747 1066685221 /nfs/dbraw/zinc/68/52/21/1066685221.db2.gz NWVKXHXECKJIHU-QGZVFWFLSA-N 0 0 457.541 4.892 20 0 JJADRN Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492618730 1066685931 /nfs/dbraw/zinc/68/59/31/1066685931.db2.gz URCMYRXPECEODL-HXUWFJFHSA-N 0 0 453.631 4.837 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)OCc2cccc(OC)c2OC(F)F)CC[C@@H]1c1ccc(C)o1 ZINC001456771900 1066686219 /nfs/dbraw/zinc/68/62/19/1066686219.db2.gz YWFYNCNCUBYQIF-HZPDHXFCSA-N 0 0 453.438 4.603 20 0 JJADRN C[C@](O)(CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC001446289131 1066686178 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CNWGLUGLSXEUBY-QFIPXVFZSA-N 0 0 482.673 4.792 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCNc2ncc(Cl)cc2Cl)CCO1 ZINC001546084912 1066689324 /nfs/dbraw/zinc/68/93/24/1066689324.db2.gz ADFZKURENYARCV-QHCPKHFHSA-N 0 0 491.423 4.773 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001456780676 1066689393 /nfs/dbraw/zinc/68/93/93/1066689393.db2.gz FNLNMAAIEUUZPR-OAHLLOKOSA-N 0 0 458.967 4.868 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3F)C2)c1 ZINC001492620305 1066689821 /nfs/dbraw/zinc/68/98/21/1066689821.db2.gz BWLNHCUTEWEJNE-HXUWFJFHSA-N 0 0 453.610 4.588 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)c1ccc(Cl)c(F)c1 ZINC001446321549 1066690586 /nfs/dbraw/zinc/69/05/86/1066690586.db2.gz LSVREAFHZGUHDK-INIZCTEOSA-N 0 0 457.658 4.506 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC001456787595 1066690924 /nfs/dbraw/zinc/69/09/24/1066690924.db2.gz OEVIXUKEGFMMSM-HXUWFJFHSA-N 0 0 456.589 4.731 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3Cc4cc(Br)ccc4C[C@H]3C)C2=O)cc1 ZINC001446328731 1066691086 /nfs/dbraw/zinc/69/10/86/1066691086.db2.gz GROYOUPXRLDXDG-OPAMFIHVSA-N 0 0 455.396 4.899 20 0 JJADRN CCc1nc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)sc1C(=O)OC ZINC001446328329 1066691116 /nfs/dbraw/zinc/69/11/16/1066691116.db2.gz FTUVQALUYWXREW-UHFFFAOYSA-N 0 0 452.561 4.913 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc3nccs3)c(F)c2)c(F)c1 ZINC001446327545 1066691148 /nfs/dbraw/zinc/69/11/48/1066691148.db2.gz FRDKXWFQHIPLEQ-FQEVSTJZSA-N 0 0 459.518 4.880 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001446329408 1066691204 /nfs/dbraw/zinc/69/12/04/1066691204.db2.gz BCPQKCFBDXRVCT-UHFFFAOYSA-N 0 0 451.328 4.913 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccccc2-c2nc[nH]n2)oc1-c1ccc(Br)cc1 ZINC001446328296 1066691212 /nfs/dbraw/zinc/69/12/12/1066691212.db2.gz FCIURZNQEUYFAL-UHFFFAOYSA-N 0 0 452.312 4.769 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC2CCCCC2)CCO1 ZINC001546084958 1066691493 /nfs/dbraw/zinc/69/14/93/1066691493.db2.gz BAMZDQGOWCGDCT-OAQYLSRUSA-N 0 0 450.425 4.632 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC001456792975 1066691747 /nfs/dbraw/zinc/69/17/47/1066691747.db2.gz YAERLAOQIFDJSN-PZJWPPBQSA-N 0 0 455.601 4.949 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)/C=C\c3cc(C)c(C)cc3C)CC2)c(Cl)c1 ZINC001456795172 1066692021 /nfs/dbraw/zinc/69/20/21/1066692021.db2.gz BLEJBCXSRKEAKJ-XYBJCVHJSA-N 0 0 454.998 4.725 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001456793957 1066692037 /nfs/dbraw/zinc/69/20/37/1066692037.db2.gz SHXWOWKXECEDCS-UHFFFAOYSA-N 0 0 454.729 4.655 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc2s1 ZINC001456794921 1066692156 /nfs/dbraw/zinc/69/21/56/1066692156.db2.gz ZONZEMUQRPPTJO-SFHVURJKSA-N 0 0 454.548 4.762 20 0 JJADRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001446330617 1066692192 /nfs/dbraw/zinc/69/21/92/1066692192.db2.gz JBUQLMGNEPGDSC-VIFPVBQESA-N 0 0 455.230 4.902 20 0 JJADRN O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1I ZINC001456797886 1066693063 /nfs/dbraw/zinc/69/30/63/1066693063.db2.gz ZQFDJNGAOJUGKA-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOCC(C)C)CC2)c1 ZINC001492622380 1066693347 /nfs/dbraw/zinc/69/33/47/1066693347.db2.gz LUCFQQLVBGECQK-DNQXCXABSA-N 0 0 486.705 4.681 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)c(F)c3)CC2)c1 ZINC001492622321 1066693418 /nfs/dbraw/zinc/69/34/18/1066693418.db2.gz KYIAIJZCYHSETA-UHFFFAOYSA-N 0 0 456.585 4.809 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001456799705 1066693384 /nfs/dbraw/zinc/69/33/84/1066693384.db2.gz FGVCCFUFMAJVCK-XMMPIXPASA-N 0 0 455.583 4.776 20 0 JJADRN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446338963 1066693638 /nfs/dbraw/zinc/69/36/38/1066693638.db2.gz NOLNAPRWOVFDOY-MHECFPHRSA-N 0 0 452.913 4.800 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3Cc3ccc(OCC(C)C)cc3)CC2)c1 ZINC001492622549 1066694216 /nfs/dbraw/zinc/69/42/16/1066694216.db2.gz OAFQFXWKNDCIMK-UHFFFAOYSA-N 0 0 464.658 4.981 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)ccc2s1 ZINC001446343120 1066694317 /nfs/dbraw/zinc/69/43/17/1066694317.db2.gz CZMYTPGZFKXXMP-UHFFFAOYSA-N 0 0 454.504 4.837 20 0 JJADRN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)s1 ZINC001446344645 1066694374 /nfs/dbraw/zinc/69/43/74/1066694374.db2.gz YTHLOGUWNLGXKU-QGZVFWFLSA-N 0 0 455.377 4.992 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492622419 1066694325 /nfs/dbraw/zinc/69/43/25/1066694325.db2.gz OCYIEMRQDGKHBX-GOSISDBHSA-N 0 0 480.510 4.931 20 0 JJADRN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001456802135 1066694429 /nfs/dbraw/zinc/69/44/29/1066694429.db2.gz ODYQXHQUVVQYIM-HXUWFJFHSA-N 0 0 450.417 4.743 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001456802069 1066694457 /nfs/dbraw/zinc/69/44/57/1066694457.db2.gz NZBHDKVCHOAESO-FIKUDORNSA-N 0 0 450.623 4.837 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001456802306 1066694496 /nfs/dbraw/zinc/69/44/96/1066694496.db2.gz PEVCKBZQXPNJAM-DEOSSOPVSA-N 0 0 450.558 4.537 20 0 JJADRN Cc1ccc(N(CCC(=O)N2CCc3ccsc3C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001456803276 1066695253 /nfs/dbraw/zinc/69/52/53/1066695253.db2.gz HZUHFBYMBNUBTG-UHFFFAOYSA-N 0 0 454.617 4.535 20 0 JJADRN O=C(Nc1cc(C(=O)OCc2ccccc2)n[nH]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456803695 1066695275 /nfs/dbraw/zinc/69/52/75/1066695275.db2.gz WGVOJBMIQPWMDB-UHFFFAOYSA-N 0 0 456.289 4.512 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CCC(F)(F)F)c1 ZINC001492623878 1066696182 /nfs/dbraw/zinc/69/61/82/1066696182.db2.gz NCJGUYHKGXLEHL-UHFFFAOYSA-N 0 0 471.325 4.610 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(Br)c3)nnc2N2CCC(C(C)C)CC2)c1 ZINC001492623413 1066696226 /nfs/dbraw/zinc/69/62/26/1066696226.db2.gz CIQUWTBSSWLIED-UHFFFAOYSA-N 0 0 457.420 4.785 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC001446361865 1066696369 /nfs/dbraw/zinc/69/63/69/1066696369.db2.gz PNJWCCZHBKMUCJ-UHFFFAOYSA-N 0 0 455.407 4.997 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001456804902 1066696667 /nfs/dbraw/zinc/69/66/67/1066696667.db2.gz SQLYAOSQRSZBOK-SFHVURJKSA-N 0 0 455.967 4.788 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2c(C)noc2C)c1 ZINC001492624124 1066696679 /nfs/dbraw/zinc/69/66/79/1066696679.db2.gz QKMZEZNKMIUCLU-GOSISDBHSA-N 0 0 469.977 4.518 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001492624566 1066696707 /nfs/dbraw/zinc/69/67/07/1066696707.db2.gz WMGPNDLMUOXOLT-LJQANCHMSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCOC(C)(C)C)c1 ZINC001492624113 1066696762 /nfs/dbraw/zinc/69/67/62/1066696762.db2.gz QDBMDODJAAHMDA-GOSISDBHSA-N 0 0 461.010 4.528 20 0 JJADRN COc1ccccc1OC[C@H](C)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC001446365015 1066697026 /nfs/dbraw/zinc/69/70/26/1066697026.db2.gz VTHXIKBDNWPJDA-OAHLLOKOSA-N 0 0 456.539 4.901 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)cc1 ZINC001456807042 1066697240 /nfs/dbraw/zinc/69/72/40/1066697240.db2.gz HHWFUKLXYWFVLO-UUOWRZLLSA-N 0 0 450.608 4.985 20 0 JJADRN Cc1cnn(CCn2c(-c3ccccc3F)nnc2N(C)Cc2ccc(Br)s2)c1 ZINC001492626430 1066697509 /nfs/dbraw/zinc/69/75/09/1066697509.db2.gz BWITZIPMRAKTRS-UHFFFAOYSA-N 0 0 475.391 4.750 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)CCOc2ccc(C)cc2Br)n(-c2ccccc2)n1 ZINC001446376838 1066697721 /nfs/dbraw/zinc/69/77/21/1066697721.db2.gz GXGFHUBCYNOJFA-KRWDZBQOSA-N 0 0 456.384 4.768 20 0 JJADRN Cc1cnn(CCn2c(-c3ccccc3Br)nnc2N(C)C2CCC(C)CC2)c1 ZINC001492627230 1066698035 /nfs/dbraw/zinc/69/80/35/1066698035.db2.gz QRFUKQPDFHCNOB-UHFFFAOYSA-N 0 0 457.420 4.928 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)c2ccccc2N(C)C(=O)c2cccs2)n(-c2ccccc2)n1 ZINC001446378633 1066698490 /nfs/dbraw/zinc/69/84/90/1066698490.db2.gz KSNPUOUDQABCEC-SFHVURJKSA-N 0 0 458.587 4.880 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001456812874 1066698638 /nfs/dbraw/zinc/69/86/38/1066698638.db2.gz PHAQRSSZUZCSIR-LJQANCHMSA-N 0 0 458.942 4.672 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCCN(C)c3cc(F)ccc32)cc1OC ZINC001456811682 1066698660 /nfs/dbraw/zinc/69/86/60/1066698660.db2.gz COYXTBFAODPJJZ-UHFFFAOYSA-N 0 0 451.336 4.872 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@H](OCC(C)C)C2)c1 ZINC001492627350 1066698630 /nfs/dbraw/zinc/69/86/30/1066698630.db2.gz WACRLQLWNHGZDZ-SFHVURJKSA-N 0 0 463.413 4.708 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(F)(F)CC2)c1 ZINC001492627543 1066698641 /nfs/dbraw/zinc/69/86/41/1066698641.db2.gz BQFLHCSZBVHHKN-UHFFFAOYSA-N 0 0 471.339 4.605 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Cc1nnc(-c2ccccc2)o1)C(F)(F)F ZINC001446381021 1066699017 /nfs/dbraw/zinc/69/90/17/1066699017.db2.gz HUSQTJRPIURQJE-OAQYLSRUSA-N 0 0 455.440 4.501 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001446379942 1066699052 /nfs/dbraw/zinc/69/90/52/1066699052.db2.gz PEDBANLOJQWIIS-JIPXPUAJSA-N 0 0 459.590 4.791 20 0 JJADRN CNc1ncnc2cc(C(=O)N[C@@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc21 ZINC001446381611 1066699096 /nfs/dbraw/zinc/69/90/96/1066699096.db2.gz JROOXLNDIBHRJZ-FQEVSTJZSA-N 0 0 454.456 4.507 20 0 JJADRN Cc1cnn(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)c2ccccc2F)c1 ZINC001492628079 1066699059 /nfs/dbraw/zinc/69/90/59/1066699059.db2.gz VIXJIERVSZXHAI-AQNXPRMDSA-N 0 0 497.619 4.590 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628431 1066699305 /nfs/dbraw/zinc/69/93/05/1066699305.db2.gz FQOZPGPPFOXUSU-JOCHJYFZSA-N 0 0 499.704 4.957 20 0 JJADRN CC(C)(CNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1)c1ccccc1Br ZINC001446383156 1066699895 /nfs/dbraw/zinc/69/98/95/1066699895.db2.gz ASKCAGUMAUUIGS-UHFFFAOYSA-N 0 0 451.311 4.540 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(-c3ccc(C(C)(C)C)cc3)nnc1N(C)CCCCCO)CCC2 ZINC001492628618 1066700174 /nfs/dbraw/zinc/70/01/74/1066700174.db2.gz IIZNZSQGQPNVEJ-QFIPXVFZSA-N 0 0 464.658 4.924 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(-c3ccc(Cl)cc3Cl)nnc1N(C)CCCCCO)CCC2 ZINC001492628671 1066700203 /nfs/dbraw/zinc/70/02/03/1066700203.db2.gz KBZSLXRPBMTPEW-QGZVFWFLSA-N 0 0 477.440 4.933 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)nc1C ZINC001456819494 1066700447 /nfs/dbraw/zinc/70/04/47/1066700447.db2.gz JYFRJVGCTVWQRC-UHFFFAOYSA-N 0 0 456.296 4.769 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492629379 1066700847 /nfs/dbraw/zinc/70/08/47/1066700847.db2.gz ANLODDFAFJYRCT-BXUZGUMPSA-N 0 0 467.462 4.546 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@H]3CCC(=O)N(C)[C@H]3c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC001456820390 1066701264 /nfs/dbraw/zinc/70/12/64/1066701264.db2.gz WCEFZAWMABGQDA-ICSRJNTNSA-N 0 0 458.440 4.612 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492629493 1066701470 /nfs/dbraw/zinc/70/14/70/1066701470.db2.gz CDTMGVJKOOJXMS-ILXRZTDVSA-N 0 0 476.444 4.890 20 0 JJADRN CCCOc1cccc(CCNC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001446396551 1066701888 /nfs/dbraw/zinc/70/18/88/1066701888.db2.gz VQOFUYROXXAPOX-NRFANRHFSA-N 0 0 452.498 4.584 20 0 JJADRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001446399018 1066701964 /nfs/dbraw/zinc/70/19/64/1066701964.db2.gz QXALJDGFADQLEC-OAQYLSRUSA-N 0 0 456.384 4.665 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](C)(C(N)=O)C2)s1 ZINC001492629867 1066701976 /nfs/dbraw/zinc/70/19/76/1066701976.db2.gz JGXXIYGSRWNQKX-QKVFXAPYSA-N 0 0 479.437 4.522 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc1 ZINC001456828420 1066702269 /nfs/dbraw/zinc/70/22/69/1066702269.db2.gz ZXFIBUPCHVGTEY-UHFFFAOYSA-N 0 0 452.308 4.691 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCCC2)s1 ZINC001492629955 1066702326 /nfs/dbraw/zinc/70/23/26/1066702326.db2.gz KTTVNBHXKPFPHL-INIZCTEOSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492629877 1066702464 /nfs/dbraw/zinc/70/24/64/1066702464.db2.gz JIXAGVPUDKQOAJ-VHDGCEQUSA-N 0 0 495.516 4.945 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492629878 1066702562 /nfs/dbraw/zinc/70/25/62/1066702562.db2.gz JIXAGVPUDKQOAJ-YUELXQCFSA-N 0 0 495.516 4.945 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC001456833090 1066702858 /nfs/dbraw/zinc/70/28/58/1066702858.db2.gz ZGEHSCNONHXOGU-CYBMUJFWSA-N 0 0 453.764 4.519 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2cc(Oc3cccc(Br)c3)ccn2)no1 ZINC001456834928 1066703327 /nfs/dbraw/zinc/70/33/27/1066703327.db2.gz UXXDGRZGZSZKMC-SFHVURJKSA-N 0 0 457.328 4.949 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccn2)s1 ZINC001492630214 1066703968 /nfs/dbraw/zinc/70/39/68/1066703968.db2.gz PYHPPQYRUGIAQU-CQSZACIVSA-N 0 0 486.443 4.646 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(O)(Cc3ccccc3F)CC2)s1 ZINC001492630329 1066704129 /nfs/dbraw/zinc/70/41/29/1066704129.db2.gz RWEMDNJFDPDVFB-KRWDZBQOSA-N 0 0 457.619 4.683 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC(O)(Cc3ccccc3F)CC2)s1 ZINC001492630330 1066704169 /nfs/dbraw/zinc/70/41/69/1066704169.db2.gz RWEMDNJFDPDVFB-QGZVFWFLSA-N 0 0 457.619 4.683 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC001456839189 1066704194 /nfs/dbraw/zinc/70/41/94/1066704194.db2.gz UHOLHSYDGPPWBD-LJQANCHMSA-N 0 0 455.480 4.782 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)Cc1ccccc1 ZINC001446424184 1066704071 /nfs/dbraw/zinc/70/40/71/1066704071.db2.gz DIEZJBNLCNKPMU-HXOBKFHXSA-N 0 0 452.348 4.886 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncnn2CC(F)F)s1 ZINC001492630441 1066704499 /nfs/dbraw/zinc/70/44/99/1066704499.db2.gz ULQRGOZMVXBJFK-CYBMUJFWSA-N 0 0 492.987 4.660 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492630445 1066704579 /nfs/dbraw/zinc/70/45/79/1066704579.db2.gz UMDYFNYZSUNHAZ-OXQOHEQNSA-N 0 0 473.668 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001446428647 1066704682 /nfs/dbraw/zinc/70/46/82/1066704682.db2.gz TVVPPUDDPYFJHR-RPWUZVMVSA-N 0 0 451.611 4.779 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc(Br)o2)c2ccc(OC)cc2)n1 ZINC001456841370 1066704686 /nfs/dbraw/zinc/70/46/86/1066704686.db2.gz ZWRIZZAESOUDKR-UHFFFAOYSA-N 0 0 451.298 4.662 20 0 JJADRN CCCCCC[C@@H](C)N(C(=O)c1nn(C)cc1Br)c1ccccc1C(=O)OC ZINC001456841045 1066704696 /nfs/dbraw/zinc/70/46/96/1066704696.db2.gz YPMDKAJVKMKLSR-OAHLLOKOSA-N 0 0 450.377 4.975 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cc2cccnc2cc1Br ZINC001446431094 1066705047 /nfs/dbraw/zinc/70/50/47/1066705047.db2.gz INGWBOBHTAOZHH-UHFFFAOYSA-N 0 0 451.324 4.686 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001492630582 1066705683 /nfs/dbraw/zinc/70/56/83/1066705683.db2.gz XEOXKJWZXQACFB-LPHOPBHVSA-N 0 0 466.655 4.513 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630603 1066705753 /nfs/dbraw/zinc/70/57/53/1066705753.db2.gz XNZCMZCSQJVYQT-MJGOQNOKSA-N 0 0 499.685 4.593 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NC2CC3(C2)COC(C)(C)C3)cs1 ZINC001456849459 1066705666 /nfs/dbraw/zinc/70/56/66/1066705666.db2.gz PYNMACZLTFEYDX-UHFFFAOYSA-N 0 0 451.386 4.659 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC001456851714 1066705741 /nfs/dbraw/zinc/70/57/41/1066705741.db2.gz SODXZEIGLNDYDV-SBGRQLAYSA-N 0 0 455.380 4.714 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1Cl ZINC001456851785 1066706133 /nfs/dbraw/zinc/70/61/33/1066706133.db2.gz HIEHJSVTQLDNAJ-UPCLLVRISA-N 0 0 452.913 4.746 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630874 1066706202 /nfs/dbraw/zinc/70/62/02/1066706202.db2.gz BRADAWHWLZMJDX-UHOSZYNNSA-N 0 0 490.674 4.582 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2snnc2C)CCO1 ZINC001546085263 1066706164 /nfs/dbraw/zinc/70/61/64/1066706164.db2.gz HWUJFFLAJPBUCA-IBGZPJMESA-N 0 0 497.850 4.575 20 0 JJADRN CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001446454636 1066706201 /nfs/dbraw/zinc/70/62/01/1066706201.db2.gz COSWYKUCKVLEPI-UHFFFAOYSA-N 0 0 453.545 4.683 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630990 1066706760 /nfs/dbraw/zinc/70/67/60/1066706760.db2.gz DDHWGNASUPWMPF-YJBOKZPZSA-N 0 0 460.648 4.608 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545986251 1066707024 /nfs/dbraw/zinc/70/70/24/1066707024.db2.gz CAPXJEKQODLKGC-GGAORHGYSA-N 0 0 499.656 4.913 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492631202 1066707374 /nfs/dbraw/zinc/70/73/74/1066707374.db2.gz HRJYYYPVBMLLFD-YWZLYKJASA-N 0 0 461.582 4.577 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001456858355 1066707245 /nfs/dbraw/zinc/70/72/45/1066707245.db2.gz AEVYMMWKJSGKQP-GOSISDBHSA-N 0 0 452.414 4.644 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(C1)CCCCC2)OC ZINC001545986366 1066707513 /nfs/dbraw/zinc/70/75/13/1066707513.db2.gz DUDJEMLDTSLCBR-RTWAWAEBSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492631253 1066707465 /nfs/dbraw/zinc/70/74/65/1066707465.db2.gz IDGBNDARRGBTPD-DOMZBBRYSA-N 0 0 482.473 4.811 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001492631297 1066707946 /nfs/dbraw/zinc/70/79/46/1066707946.db2.gz ITBSCJHANNACFY-HUUCEWRRSA-N 0 0 461.582 4.719 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1)OC ZINC001545986441 1066707974 /nfs/dbraw/zinc/70/79/74/1066707974.db2.gz FSPGZTPKMCJTFR-SFTDATJTSA-N 0 0 463.667 4.690 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001456862418 1066708369 /nfs/dbraw/zinc/70/83/69/1066708369.db2.gz YBGFMZGOWBEPMA-UHFFFAOYSA-N 0 0 456.362 4.671 20 0 JJADRN CC(=O)Nc1nc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cs1 ZINC001456862686 1066709073 /nfs/dbraw/zinc/70/90/73/1066709073.db2.gz NDYXJSPQKKTZLI-OAQYLSRUSA-N 0 0 458.381 4.752 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001456862940 1066709160 /nfs/dbraw/zinc/70/91/60/1066709160.db2.gz HNAOFQQROJIRJG-UHFFFAOYSA-N 0 0 454.889 4.672 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492631865 1066708991 /nfs/dbraw/zinc/70/89/91/1066708991.db2.gz SMIPOZSAANPHTR-DOTOQJQBSA-N 0 0 461.582 4.721 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccccc3C)CC2)s1 ZINC001492631885 1066709038 /nfs/dbraw/zinc/70/90/38/1066709038.db2.gz TUSZWQPRKCSNPT-IBGZPJMESA-N 0 0 480.682 4.752 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1)OC ZINC001545986696 1066709121 /nfs/dbraw/zinc/70/91/21/1066709121.db2.gz JEJFNQAAYVILIL-IFMALSPDSA-N 0 0 487.620 4.519 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1)OC ZINC001545986697 1066709234 /nfs/dbraw/zinc/70/92/34/1066709234.db2.gz JEJFNQAAYVILIL-IRLDBZIGSA-N 0 0 487.620 4.519 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC=C(Br)C2)s1 ZINC001492631953 1066709389 /nfs/dbraw/zinc/70/93/89/1066709389.db2.gz UVAMYMPAMQBNCJ-BBRMVZONSA-N 0 0 452.422 4.577 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)s1 ZINC001492631961 1066709466 /nfs/dbraw/zinc/70/94/66/1066709466.db2.gz UWHXYGSBBKREIU-AZUAARDMSA-N 0 0 466.655 4.535 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2Br)s1 ZINC001492631917 1066709480 /nfs/dbraw/zinc/70/94/80/1066709480.db2.gz UGRDZBPCPZEZDQ-AWEZNQCLSA-N 0 0 484.427 4.703 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccccc3C)CC2)s1 ZINC001492631886 1066709488 /nfs/dbraw/zinc/70/94/88/1066709488.db2.gz TUSZWQPRKCSNPT-LJQANCHMSA-N 0 0 480.682 4.752 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446485213 1066709565 /nfs/dbraw/zinc/70/95/65/1066709565.db2.gz HEXBKCQBAZXTEH-YUMYIRISSA-N 0 0 458.530 4.504 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC001446486754 1066709618 /nfs/dbraw/zinc/70/96/18/1066709618.db2.gz LFZSGPQUBMLSHP-UGKGYDQZSA-N 0 0 456.949 4.741 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC001456867770 1066710039 /nfs/dbraw/zinc/71/00/39/1066710039.db2.gz AOIOBPXQIYBXMF-LBPRGKRZSA-N 0 0 454.474 4.511 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1)c1cccs1 ZINC001446491540 1066710522 /nfs/dbraw/zinc/71/05/22/1066710522.db2.gz ZSVAYHATGNZYQW-FCHUYYIVSA-N 0 0 452.551 4.546 20 0 JJADRN Cc1ccc(OC(=O)C2(c3ccc(Br)cc3)CC2)c(I)c1 ZINC001456869451 1066710744 /nfs/dbraw/zinc/71/07/44/1066710744.db2.gz UCRYWNGVYYYAQW-UHFFFAOYSA-N 0 0 457.105 4.999 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001446495217 1066710658 /nfs/dbraw/zinc/71/06/58/1066710658.db2.gz LWOBGRGDZAJIQL-VKRNSVOSSA-N 0 0 464.488 4.889 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)s1 ZINC001492632469 1066710954 /nfs/dbraw/zinc/71/09/54/1066710954.db2.gz FTCYXJCKDNHBLD-DOTOQJQBSA-N 0 0 462.664 4.638 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)C2)s1 ZINC001492632427 1066710997 /nfs/dbraw/zinc/71/09/97/1066710997.db2.gz FAPMZLBFDRGFJV-NUJGCVRESA-N 0 0 460.648 4.765 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)s1 ZINC001492632461 1066711013 /nfs/dbraw/zinc/71/10/13/1066711013.db2.gz FOZDVXWJTXHJRO-DDBAPUKQSA-N 0 0 492.715 4.559 20 0 JJADRN Cc1ccc(OC(=O)Cc2cccc(OCc3cccnc3)c2)c(I)c1 ZINC001456870033 1066711155 /nfs/dbraw/zinc/71/11/55/1066711155.db2.gz UXTVHWKSEMJYMW-UHFFFAOYSA-N 0 0 459.283 4.722 20 0 JJADRN Cc1ccc(-n2c3ccc(Br)cc3nc2NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 ZINC001456870784 1066711260 /nfs/dbraw/zinc/71/12/60/1066711260.db2.gz YBTVVAVVOFSMND-QAPCUYQASA-N 0 0 458.356 4.619 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cscc3C(F)(F)F)CC2)s1 ZINC001492632650 1066711444 /nfs/dbraw/zinc/71/14/44/1066711444.db2.gz JQKODXXRHKHEDC-UHFFFAOYSA-N 0 0 498.600 4.694 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnc(C)s2)s1 ZINC001492632730 1066711908 /nfs/dbraw/zinc/71/19/08/1066711908.db2.gz LFPLYRGGXZJYOA-LBPRGKRZSA-N 0 0 459.670 4.604 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC001446511247 1066712121 /nfs/dbraw/zinc/71/21/21/1066712121.db2.gz FSGYZPFXQYOUKW-JTSKRJEESA-N 0 0 450.627 4.554 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)s2)cc1 ZINC001456877312 1066712217 /nfs/dbraw/zinc/71/22/17/1066712217.db2.gz DOOYVGKDKIUCRJ-UHFFFAOYSA-N 0 0 453.520 4.735 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C)n1-c1cnn(C)c1 ZINC001456875406 1066712270 /nfs/dbraw/zinc/71/22/70/1066712270.db2.gz XKNUDXQYSAAZTL-UHFFFAOYSA-N 0 0 451.571 4.840 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2nccs2)s1 ZINC001492632940 1066712552 /nfs/dbraw/zinc/71/25/52/1066712552.db2.gz QMSGXYOWDJAXJQ-KVSKMBFKSA-N 0 0 474.700 4.901 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492632978 1066712562 /nfs/dbraw/zinc/71/25/62/1066712562.db2.gz RLOFYPHSIFRSRT-OXQOHEQNSA-N 0 0 473.618 4.816 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)s1 ZINC001492633037 1066712576 /nfs/dbraw/zinc/71/25/76/1066712576.db2.gz SOFBSCROHCYUHY-ZYSHUDEJSA-N 0 0 474.675 4.854 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001446512558 1066712882 /nfs/dbraw/zinc/71/28/82/1066712882.db2.gz LCGDAWOLMQLXQM-UHFFFAOYSA-N 0 0 452.418 4.860 20 0 JJADRN C[C@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)[C@H](c2ccco2)C1 ZINC001456877648 1066712742 /nfs/dbraw/zinc/71/27/42/1066712742.db2.gz DEVOCSRXTGVFHY-YJBOKZPZSA-N 0 0 454.386 4.596 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492633110 1066712947 /nfs/dbraw/zinc/71/29/47/1066712947.db2.gz UWCFHXAICIVMPS-PKOBYXMFSA-N 0 0 466.655 4.634 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492633041 1066712977 /nfs/dbraw/zinc/71/29/77/1066712977.db2.gz SSVXPNRKYRASGJ-FXAWDEMLSA-N 0 0 488.702 4.883 20 0 JJADRN CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001456881443 1066713272 /nfs/dbraw/zinc/71/32/72/1066713272.db2.gz FCGURGBUTNFHQX-WMZHIEFXSA-N 0 0 459.384 4.977 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001456882563 1066713285 /nfs/dbraw/zinc/71/32/85/1066713285.db2.gz MIWPBRJNQJIQTB-FHWLQOOXSA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCOC(F)F)CC2)s1 ZINC001492633297 1066713567 /nfs/dbraw/zinc/71/35/67/1066713567.db2.gz ABPCSFYTRZTYRU-UHFFFAOYSA-N 0 0 483.535 4.925 20 0 JJADRN CO[C@@]1(C)C[C@H](NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1(C)C ZINC001456882734 1066713784 /nfs/dbraw/zinc/71/37/84/1066713784.db2.gz VXLBPIDFPFSBBU-SJCJKPOMSA-N 0 0 451.276 4.526 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC001456884552 1066713798 /nfs/dbraw/zinc/71/37/98/1066713798.db2.gz XXPXHANANHYXCT-LJQANCHMSA-N 0 0 459.550 4.909 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@@H](C)Oc3ccc(Br)cc3)c3c2CCC3)cc1 ZINC001456882711 1066713918 /nfs/dbraw/zinc/71/39/18/1066713918.db2.gz ULDMKRIFIKRZJE-MRXNPFEDSA-N 0 0 454.368 4.629 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001446519573 1066713998 /nfs/dbraw/zinc/71/39/98/1066713998.db2.gz NZHDTXNDOXEVLH-CFQJNTNZSA-N 0 0 462.421 4.898 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CCc4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)s1 ZINC001492633350 1066714010 /nfs/dbraw/zinc/71/40/10/1066714010.db2.gz AUBAMMUAJZJMSN-MGBGTMOVSA-N 0 0 485.723 4.759 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001446519610 1066714137 /nfs/dbraw/zinc/71/41/37/1066714137.db2.gz NZHDTXNDOXEVLH-YHLQPLCCSA-N 0 0 462.421 4.898 20 0 JJADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001446519598 1066714179 /nfs/dbraw/zinc/71/41/79/1066714179.db2.gz NZHDTXNDOXEVLH-VEKSQJJVSA-N 0 0 462.421 4.898 20 0 JJADRN Cc1cc(CCC(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456886237 1066714294 /nfs/dbraw/zinc/71/42/94/1066714294.db2.gz OWZAYXXFBLOPMF-SFHVURJKSA-N 0 0 453.421 4.986 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1 ZINC001456887864 1066714339 /nfs/dbraw/zinc/71/43/39/1066714339.db2.gz SPETYQIHAKRMQU-UHFFFAOYSA-N 0 0 454.527 4.598 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)CC2)s1 ZINC001492633420 1066714366 /nfs/dbraw/zinc/71/43/66/1066714366.db2.gz BRCMMLOQDOTQNM-VWLOTQADSA-N 0 0 453.656 4.619 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC001492632933 1066714461 /nfs/dbraw/zinc/71/44/61/1066714461.db2.gz QJVQHGKGBKHZGP-NUJGCVRESA-N 0 0 472.684 4.853 20 0 JJADRN CCOc1ccc([C@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC001446520008 1066714546 /nfs/dbraw/zinc/71/45/46/1066714546.db2.gz XWQAYFQUUHKXAE-VWNXMTODSA-N 0 0 451.954 4.744 20 0 JJADRN CC(C)(CNC(=O)C1CCC(NC(=O)C2CC2)CC1)Sc1ccc(Br)cc1 ZINC001456891595 1066715281 /nfs/dbraw/zinc/71/52/81/1066715281.db2.gz FLADRXKUMJZBCP-UHFFFAOYSA-N 0 0 453.446 4.521 20 0 JJADRN O=C(CSC[C@@H]1CCCCO1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446526168 1066715320 /nfs/dbraw/zinc/71/53/20/1066715320.db2.gz FNPIIMJEUFIJSH-UKILVPOCSA-N 0 0 459.055 4.876 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(=O)NC(C)C)CC2)s1 ZINC001492633936 1066715402 /nfs/dbraw/zinc/71/54/02/1066715402.db2.gz UWFJSEJOETYZEU-UHFFFAOYSA-N 0 0 480.682 4.916 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001456893157 1066715794 /nfs/dbraw/zinc/71/57/94/1066715794.db2.gz CIPJEOBJMMFVRK-QRQCRPRQSA-N 0 0 456.384 4.667 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3CCCNC(=O)c3cccc(O)c3)CC2)s1 ZINC001492633962 1066715987 /nfs/dbraw/zinc/71/59/87/1066715987.db2.gz VRQCBJKEFISKMH-UHFFFAOYSA-N 0 0 496.681 4.541 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001456896982 1066716471 /nfs/dbraw/zinc/71/64/71/1066716471.db2.gz QBCCMMOYLGEBES-UHFFFAOYSA-N 0 0 455.299 4.768 20 0 JJADRN COC(=O)c1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)o1 ZINC001446529742 1066716457 /nfs/dbraw/zinc/71/64/57/1066716457.db2.gz PWUYYAPXUFPPLD-HSZRJFAPSA-N 0 0 452.938 4.575 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001492634161 1066716520 /nfs/dbraw/zinc/71/65/20/1066716520.db2.gz DGEGHNCFMOIONV-GOSISDBHSA-N 0 0 495.521 4.890 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492634227 1066716635 /nfs/dbraw/zinc/71/66/35/1066716635.db2.gz GRGIAIJSZPJRLN-INIZCTEOSA-N 0 0 487.004 4.697 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCNC(=O)C(C)C ZINC001492634305 1066716703 /nfs/dbraw/zinc/71/67/03/1066716703.db2.gz JTQMMCKROASVAF-UHFFFAOYSA-N 0 0 469.655 4.742 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001456900003 1066717388 /nfs/dbraw/zinc/71/73/88/1066717388.db2.gz YHQKXXTVCDLFFN-CYBMUJFWSA-N 0 0 459.377 4.957 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001492634740 1066717535 /nfs/dbraw/zinc/71/75/35/1066717535.db2.gz XCXKEKZNLCNYDV-KRWDZBQOSA-N 0 0 499.662 4.712 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492634746 1066717653 /nfs/dbraw/zinc/71/76/53/1066717653.db2.gz XFJVUZQPQGLUDE-LJQANCHMSA-N 0 0 471.989 4.960 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001456904087 1066717805 /nfs/dbraw/zinc/71/78/05/1066717805.db2.gz XWAKTHHIWGKLGU-NNUKFRKNSA-N 0 0 453.402 4.626 20 0 JJADRN CCCc1c(C(=O)NCc2csc(=NC(=O)OC(C)(C)C)[nH]2)cnn1-c1cccc(F)c1 ZINC001456903683 1066717937 /nfs/dbraw/zinc/71/79/37/1066717937.db2.gz FCXZWKPCCUTTJA-UHFFFAOYSA-N 0 0 459.547 4.697 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC001446539738 1066718315 /nfs/dbraw/zinc/71/83/15/1066718315.db2.gz AFDQQVIWIQUKDH-YADHBBJMSA-N 0 0 451.592 4.654 20 0 JJADRN CC(C)(C)OC(=O)Nc1nc(CNC(=O)C/C=C\c2ccc(Br)cc2)cs1 ZINC001456906720 1066718570 /nfs/dbraw/zinc/71/85/70/1066718570.db2.gz OCVXEBQAOXHGLS-PLNGDYQASA-N 0 0 452.374 4.972 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001492635626 1066718830 /nfs/dbraw/zinc/71/88/30/1066718830.db2.gz XHUVCBJQLIBMRJ-ICSRJNTNSA-N 0 0 487.645 4.654 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492635580 1066718874 /nfs/dbraw/zinc/71/88/74/1066718874.db2.gz VWHKPMAOBJOFKH-NRFANRHFSA-N 0 0 473.618 4.614 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)Cc2coc3ccc4ccccc4c23)ccc1Cl ZINC001456909605 1066719002 /nfs/dbraw/zinc/71/90/02/1066719002.db2.gz ZOYFWYWTLRSNAZ-UHFFFAOYSA-N 0 0 458.923 4.603 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CSc1nnc(-c2ccco2)n1CC ZINC001456909913 1066719011 /nfs/dbraw/zinc/71/90/11/1066719011.db2.gz ADRFXLKGZZYYEW-HNNXBMFYSA-N 0 0 452.502 4.806 20 0 JJADRN CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001456910644 1066719056 /nfs/dbraw/zinc/71/90/56/1066719056.db2.gz HOBFNQDYYZYANE-JOCHJYFZSA-N 0 0 453.558 4.973 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CSc1nnc(-c2ccco2)n1CC ZINC001456909922 1066719071 /nfs/dbraw/zinc/71/90/71/1066719071.db2.gz ADRFXLKGZZYYEW-OAHLLOKOSA-N 0 0 452.502 4.806 20 0 JJADRN CO[C@H](CNC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1 ZINC001456910169 1066719078 /nfs/dbraw/zinc/71/90/78/1066719078.db2.gz AYKKTRIKOGGCAB-OAHLLOKOSA-N 0 0 450.103 4.716 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001492636002 1066719449 /nfs/dbraw/zinc/71/94/49/1066719449.db2.gz HZKKSQFVUPWNQU-KUHUBIRLSA-N 0 0 468.907 4.936 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001446550812 1066719492 /nfs/dbraw/zinc/71/94/92/1066719492.db2.gz FCUNRFTXHAWSGK-NMNUPHIUSA-N 0 0 458.599 4.781 20 0 JJADRN Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1Br ZINC001456910978 1066719606 /nfs/dbraw/zinc/71/96/06/1066719606.db2.gz LHCFFMNCNDUSDB-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001492636088 1066719895 /nfs/dbraw/zinc/71/98/95/1066719895.db2.gz KVTUZNARZCRCQY-YJYMSZOUSA-N 0 0 463.351 4.672 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492636038 1066720034 /nfs/dbraw/zinc/72/00/34/1066720034.db2.gz JEYIWLFOQGSHDT-GOSISDBHSA-N 0 0 483.588 4.712 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001446553578 1066720025 /nfs/dbraw/zinc/72/00/25/1066720025.db2.gz KXIZCDHWNDACHN-IKAXQFJBSA-N 0 0 450.623 4.804 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001446552187 1066720054 /nfs/dbraw/zinc/72/00/54/1066720054.db2.gz HGWMQQWWFVSVBP-QHCPKHFHSA-N 0 0 452.938 4.535 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nnc1-c1ccco1 ZINC001446551927 1066720097 /nfs/dbraw/zinc/72/00/97/1066720097.db2.gz HWTUIXFDAXEKPF-VQTJNVASSA-N 0 0 454.596 4.545 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001456916636 1066720685 /nfs/dbraw/zinc/72/06/85/1066720685.db2.gz KYVQDJPVVFFVBQ-JTSKRJEESA-N 0 0 451.567 4.591 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492636475 1066721027 /nfs/dbraw/zinc/72/10/27/1066721027.db2.gz ROUBOHARLCJXOX-IBGZPJMESA-N 0 0 471.627 4.682 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2C[C@H](C)O[C@@H](C)C2)n1 ZINC001492636409 1066721143 /nfs/dbraw/zinc/72/11/43/1066721143.db2.gz CJNGNBYYQSAESK-XBFCOCLRSA-N 0 0 482.473 4.951 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC001545987422 1066721656 /nfs/dbraw/zinc/72/16/56/1066721656.db2.gz SRGJHAGMSDBFBA-GHTZIAJQSA-N 0 0 493.574 4.608 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492636476 1066721745 /nfs/dbraw/zinc/72/17/45/1066721745.db2.gz ROUBOHARLCJXOX-LJQANCHMSA-N 0 0 471.627 4.682 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnccn1 ZINC001492636507 1066721757 /nfs/dbraw/zinc/72/17/57/1066721757.db2.gz SJUWXQROYVMBTI-UHFFFAOYSA-N 0 0 473.364 4.848 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001492636898 1066722099 /nfs/dbraw/zinc/72/20/99/1066722099.db2.gz HJBBDZTWRKHJTL-HIFRSBDPSA-N 0 0 493.464 4.912 20 0 JJADRN Cc1coc(C)c1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492636732 1066722148 /nfs/dbraw/zinc/72/21/48/1066722148.db2.gz XILQAGLGQXPQHZ-GOSISDBHSA-N 0 0 457.619 4.715 20 0 JJADRN Cc1coc(C)c1Cn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001492637041 1066722588 /nfs/dbraw/zinc/72/25/88/1066722588.db2.gz JYBDFJWNPQFZCH-ICSRJNTNSA-N 0 0 457.619 4.669 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC001492636907 1066722661 /nfs/dbraw/zinc/72/26/61/1066722661.db2.gz HOOZQOXLMVHCBW-INIZCTEOSA-N 0 0 485.633 4.900 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)n1 ZINC001492637274 1066722886 /nfs/dbraw/zinc/72/28/86/1066722886.db2.gz NYOCWVKXLCHVQK-CYBMUJFWSA-N 0 0 475.416 4.844 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001492637264 1066723041 /nfs/dbraw/zinc/72/30/41/1066723041.db2.gz NPOFSOQZKVLFMQ-ZBFHGGJFSA-N 0 0 476.444 4.749 20 0 JJADRN CC(C)Oc1cc(CN(C(=O)COc2ccc(Cl)cc2Br)C2CC2)ccn1 ZINC001446584166 1066723458 /nfs/dbraw/zinc/72/34/58/1066723458.db2.gz RKTOTGDMAKQISP-UHFFFAOYSA-N 0 0 453.764 4.855 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C)C2)n1 ZINC001492637426 1066723497 /nfs/dbraw/zinc/72/34/97/1066723497.db2.gz RCSUCNQETDBBPD-HZPDHXFCSA-N 0 0 473.046 4.666 20 0 JJADRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001446588069 1066724116 /nfs/dbraw/zinc/72/41/16/1066724116.db2.gz OBZXVGYIBOLKSX-AZUAARDMSA-N 0 0 458.624 4.645 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001492637728 1066724559 /nfs/dbraw/zinc/72/45/59/1066724559.db2.gz YCSUFMVOSVDZSJ-CQSZACIVSA-N 0 0 477.009 4.512 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545987549 1066724659 /nfs/dbraw/zinc/72/46/59/1066724659.db2.gz ULGDDUMEHLGXJP-TUNNFDKTSA-N 0 0 487.620 4.608 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456932258 1066725042 /nfs/dbraw/zinc/72/50/42/1066725042.db2.gz LHXBYAUMXDVWQK-UYAOXDASSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(Cl)=C(Cl)C2)n1 ZINC001492637992 1066725021 /nfs/dbraw/zinc/72/50/21/1066725021.db2.gz BOIIPQIYUMEOAK-LBPRGKRZSA-N 0 0 466.442 4.608 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@@H](C)CC(=O)c3cccs3)cc2)c1 ZINC001446599744 1066725229 /nfs/dbraw/zinc/72/52/29/1066725229.db2.gz AENGBXFBRRLGAC-KRWDZBQOSA-N 0 0 457.573 4.524 20 0 JJADRN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001446611775 1066725251 /nfs/dbraw/zinc/72/52/51/1066725251.db2.gz LANWMZAKHWHOCD-HNNXBMFYSA-N 0 0 459.614 4.694 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545987704 1066725534 /nfs/dbraw/zinc/72/55/34/1066725534.db2.gz VVVVPRLYBGLZIJ-NFBKMPQASA-N 0 0 460.594 4.769 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)n1 ZINC001492638216 1066725573 /nfs/dbraw/zinc/72/55/73/1066725573.db2.gz CZCBTBWDIDXMNE-LBPRGKRZSA-N 0 0 490.456 4.764 20 0 JJADRN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001446611780 1066725574 /nfs/dbraw/zinc/72/55/74/1066725574.db2.gz LANWMZAKHWHOCD-OAHLLOKOSA-N 0 0 459.614 4.694 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 ZINC001492638390 1066726064 /nfs/dbraw/zinc/72/60/64/1066726064.db2.gz FTYOCGCCUQWNSP-HFJWLAOPSA-N 0 0 496.681 4.640 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC001545987823 1066726616 /nfs/dbraw/zinc/72/66/16/1066726616.db2.gz XJJWWRUDXUKFHW-QZTJIDSGSA-N 0 0 489.583 4.644 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2CCC2(OC)CCC2)CCO1 ZINC001546085428 1066726570 /nfs/dbraw/zinc/72/65/70/1066726570.db2.gz LHGBWJZCBDRARB-QFIPXVFZSA-N 0 0 493.446 4.681 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CC(=O)N(C)C)c1ccccc1 ZINC001456938247 1066726587 /nfs/dbraw/zinc/72/65/87/1066726587.db2.gz LRYZMRDOYIXMRC-INIZCTEOSA-N 0 0 457.983 4.738 20 0 JJADRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001456943237 1066727134 /nfs/dbraw/zinc/72/71/34/1066727134.db2.gz WHVXWKZFDYVLGU-QHCPKHFHSA-N 0 0 458.940 4.690 20 0 JJADRN CCN(CC(=O)Nc1ccc(C)nc1N(C)C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446633978 1066726976 /nfs/dbraw/zinc/72/69/76/1066726976.db2.gz WNBGANDXZCXNKA-UHFFFAOYSA-N 0 0 458.562 4.666 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OC)c3ccc4ccccc4c3)[nH]n2)c1C ZINC001446637272 1066727158 /nfs/dbraw/zinc/72/71/58/1066727158.db2.gz XHNYDCRIMJDZSH-OYLFLEFRSA-N 0 0 459.550 4.658 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CC=CCC2)n1 ZINC001492638727 1066727150 /nfs/dbraw/zinc/72/71/50/1066727150.db2.gz JQXRFTLBWVMUPW-WMZOPIPTSA-N 0 0 470.668 4.631 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC001456945643 1066727426 /nfs/dbraw/zinc/72/74/26/1066727426.db2.gz FKGXUSJLZSTOIY-UHFFFAOYSA-N 0 0 458.440 4.559 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)n1 ZINC001492638887 1066727675 /nfs/dbraw/zinc/72/76/75/1066727675.db2.gz LBEZUBZOZXQURO-HKUYNNGSSA-N 0 0 469.655 4.948 20 0 JJADRN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1Nc1ccc(C(C)=O)cc1 ZINC001446640877 1066727792 /nfs/dbraw/zinc/72/77/92/1066727792.db2.gz IEVHUZJHRUCUNM-HXUWFJFHSA-N 0 0 450.560 4.615 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2Cc2sc(C)nc2C)CCO1 ZINC001546085746 1066728175 /nfs/dbraw/zinc/72/81/75/1066728175.db2.gz RKALIANBOCSNBO-LJQANCHMSA-N 0 0 482.473 4.896 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC001456950168 1066728288 /nfs/dbraw/zinc/72/82/88/1066728288.db2.gz IUIBXZMFVVEFGM-OAQYLSRUSA-N 0 0 457.412 4.798 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC001492639047 1066728176 /nfs/dbraw/zinc/72/81/76/1066728176.db2.gz MLIPBDIDBWDZBT-IBGZPJMESA-N 0 0 489.649 4.524 20 0 JJADRN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1cnc(-c2ccccc2Br)s1 ZINC001456951138 1066728625 /nfs/dbraw/zinc/72/86/25/1066728625.db2.gz WQVPDAPPMPKSBF-JOCQHMNTSA-N 0 0 459.369 4.524 20 0 JJADRN CN1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c2cc(Cl)ccc21 ZINC001456951756 1066728657 /nfs/dbraw/zinc/72/86/57/1066728657.db2.gz NEYCKDZHOUNEGN-UHFFFAOYSA-N 0 0 451.876 4.972 20 0 JJADRN Cc1ccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)cc1NC(=O)Nc1ccccc1 ZINC001456950890 1066728674 /nfs/dbraw/zinc/72/86/74/1066728674.db2.gz VBYDNQGMQGCNKN-UHFFFAOYSA-N 0 0 457.456 4.763 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@H]21 ZINC001446651005 1066728698 /nfs/dbraw/zinc/72/86/98/1066728698.db2.gz CKEGGFWYGZPBQU-YTFSRNRJSA-N 0 0 454.611 4.680 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)n1 ZINC001492639321 1066728789 /nfs/dbraw/zinc/72/87/89/1066728789.db2.gz PBAVQUYCJMHKKW-OAHLLOKOSA-N 0 0 462.664 4.638 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@H]21 ZINC001446650983 1066728758 /nfs/dbraw/zinc/72/87/58/1066728758.db2.gz CKEGGFWYGZPBQU-DNVJHFABSA-N 0 0 454.611 4.680 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)Oc1ccccc1F ZINC001545987918 1066728874 /nfs/dbraw/zinc/72/88/74/1066728874.db2.gz YRGGLBLMYNEXFH-AUSIDOKSSA-N 0 0 470.593 4.503 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)n1 ZINC001492639290 1066728825 /nfs/dbraw/zinc/72/88/25/1066728825.db2.gz NDNZKVKUVQBCEB-HNNXBMFYSA-N 0 0 484.029 4.581 20 0 JJADRN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(C2CCCCC2)no1 ZINC001456955344 1066729236 /nfs/dbraw/zinc/72/92/36/1066729236.db2.gz AWACNLXZPBJQQA-CYBMUJFWSA-N 0 0 450.992 4.562 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001492639648 1066729169 /nfs/dbraw/zinc/72/91/69/1066729169.db2.gz QBDOLTGRSXQCMG-DOTOQJQBSA-N 0 0 460.648 4.560 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492639683 1066729237 /nfs/dbraw/zinc/72/92/37/1066729237.db2.gz QGXDYPJAVXQRTR-SFHVURJKSA-N 0 0 479.654 4.951 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(Cc3ccco3)C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492639623 1066729320 /nfs/dbraw/zinc/72/93/20/1066729320.db2.gz RLZLYWWWRFWXPT-MHECFPHRSA-N 0 0 473.643 4.895 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(C2CCCCC2)no1 ZINC001456955351 1066729345 /nfs/dbraw/zinc/72/93/45/1066729345.db2.gz AWACNLXZPBJQQA-ZDUSSCGKSA-N 0 0 450.992 4.562 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001456958545 1066729844 /nfs/dbraw/zinc/72/98/44/1066729844.db2.gz JXNYJKQJFDULRE-IBGZPJMESA-N 0 0 456.340 4.514 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001492640072 1066730127 /nfs/dbraw/zinc/73/01/27/1066730127.db2.gz WMTMQAMYYXQYOU-LBPRGKRZSA-N 0 0 498.600 4.550 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC001492640071 1066730171 /nfs/dbraw/zinc/73/01/71/1066730171.db2.gz WMTMQAMYYXQYOU-GFCCVEGCSA-N 0 0 498.600 4.550 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492640045 1066730199 /nfs/dbraw/zinc/73/01/99/1066730199.db2.gz VWUDJZISEZEFPJ-JXFKEZNVSA-N 0 0 476.046 4.940 20 0 JJADRN O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446662826 1066730244 /nfs/dbraw/zinc/73/02/44/1066730244.db2.gz VTLBKERWBATCSJ-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1snc(Cl)c1Cl)c1cccc(Br)c1 ZINC001446660402 1066730298 /nfs/dbraw/zinc/73/02/98/1066730298.db2.gz OIMCDXFFQFTZFX-JTQLQIEISA-N 0 0 452.157 4.637 20 0 JJADRN C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(C2CCCCC2)no1 ZINC001456962571 1066730311 /nfs/dbraw/zinc/73/03/11/1066730311.db2.gz PTXXMYPUKHATSD-KRWDZBQOSA-N 0 0 453.564 4.582 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C ZINC001545987974 1066730385 /nfs/dbraw/zinc/73/03/85/1066730385.db2.gz ZMBCLGQLVISHJD-PMACEKPBSA-N 0 0 482.629 4.593 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@@H](CO)C3CCCCC3)cs2)cc1 ZINC001446693586 1066731297 /nfs/dbraw/zinc/73/12/97/1066731297.db2.gz AACRWLHTUSCZAO-IBGZPJMESA-N 0 0 459.612 4.752 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1nc(C2CCCCC2)no1 ZINC001456965684 1066731648 /nfs/dbraw/zinc/73/16/48/1066731648.db2.gz XGYYZBUTYCWFSJ-CHWSQXEVSA-N 0 0 453.324 4.703 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001456967190 1066731694 /nfs/dbraw/zinc/73/16/94/1066731694.db2.gz CIOUNOHFFFRSGD-UHFFFAOYSA-N 0 0 450.023 4.724 20 0 JJADRN CCOCc1ccc(NC(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)cc1 ZINC001456965075 1066731840 /nfs/dbraw/zinc/73/18/40/1066731840.db2.gz LWCYQCAIPPAQHW-UHFFFAOYSA-N 0 0 455.532 4.642 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC001446697256 1066731704 /nfs/dbraw/zinc/73/17/04/1066731704.db2.gz GAJMGADUFJWZJV-UHFFFAOYSA-N 0 0 454.596 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC001446697234 1066731754 /nfs/dbraw/zinc/73/17/54/1066731754.db2.gz FQOAFXJIZAYXKT-LJQANCHMSA-N 0 0 456.406 4.759 20 0 JJADRN O=C(N[C@H](CO)C1CCCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001446697902 1066731815 /nfs/dbraw/zinc/73/18/15/1066731815.db2.gz JBUIDSQUBONFDY-QGZVFWFLSA-N 0 0 453.764 4.961 20 0 JJADRN COC(=O)Cc1sccc1C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001446700681 1066731838 /nfs/dbraw/zinc/73/18/38/1066731838.db2.gz KHKCSSJFWSEQFN-UHFFFAOYSA-N 0 0 451.367 4.526 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCSC(F)(F)F)CCO2)n1 ZINC001492640693 1066732174 /nfs/dbraw/zinc/73/21/74/1066732174.db2.gz AUXJFIQZAMZDQX-INIZCTEOSA-N 0 0 469.558 4.849 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CC2)n1 ZINC001492640629 1066732248 /nfs/dbraw/zinc/73/22/48/1066732248.db2.gz ZUYXCVWOUYQCST-HNNXBMFYSA-N 0 0 460.648 4.560 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCC(C)(C)O)CCO2)n1 ZINC001492640871 1066732817 /nfs/dbraw/zinc/73/28/17/1066732817.db2.gz GIDAYRMIYNZXDH-KRWDZBQOSA-N 0 0 482.437 4.756 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC001456969853 1066732763 /nfs/dbraw/zinc/73/27/63/1066732763.db2.gz DRCOIVVHYCSOSX-CLOONOSVSA-N 0 0 455.555 4.844 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC001456969860 1066732814 /nfs/dbraw/zinc/73/28/14/1066732814.db2.gz DRCOIVVHYCSOSX-KBMIEXCESA-N 0 0 455.555 4.844 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456972836 1066732909 /nfs/dbraw/zinc/73/29/09/1066732909.db2.gz ZFHYSQTXSXQLFL-QFIPXVFZSA-N 0 0 454.979 4.655 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)COCc3ccccc3)CCO2)n1 ZINC001492640826 1066732865 /nfs/dbraw/zinc/73/28/65/1066732865.db2.gz DZISZVYXPJBYFT-NQIIRXRSSA-N 0 0 469.655 4.771 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456972829 1066732955 /nfs/dbraw/zinc/73/29/55/1066732955.db2.gz ZFHYSQTXSXQLFL-JOCHJYFZSA-N 0 0 454.979 4.655 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC001456973072 1066732984 /nfs/dbraw/zinc/73/29/84/1066732984.db2.gz CWCCRSZNYYTTMX-GCJKJVERSA-N 0 0 458.624 4.938 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)ccc2C)c1 ZINC001456975319 1066733337 /nfs/dbraw/zinc/73/33/37/1066733337.db2.gz MJIDXPVAIDZHNL-UHFFFAOYSA-N 0 0 459.955 4.647 20 0 JJADRN Cc1cccc(O)c1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 ZINC001446716091 1066733462 /nfs/dbraw/zinc/73/34/62/1066733462.db2.gz HSTKRYAZASPHLU-UHFFFAOYSA-N 0 0 452.486 4.957 20 0 JJADRN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCC[C@@H]4CCC(F)(F)C4)cc3[nH]c2=S)c1C ZINC001456977460 1066733854 /nfs/dbraw/zinc/73/38/54/1066733854.db2.gz QBPWMVJZXZLOBB-INIZCTEOSA-N 0 0 457.546 4.847 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC001456977190 1066733876 /nfs/dbraw/zinc/73/38/76/1066733876.db2.gz PBJWCNBGIYHAOP-NSHDSACASA-N 0 0 458.702 4.816 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)CCO2)n1 ZINC001492641520 1066734292 /nfs/dbraw/zinc/73/42/92/1066734292.db2.gz MAORUIDMACVIHN-FXAWDEMLSA-N 0 0 473.618 4.816 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C(=O)N1c1ccccc1 ZINC001456977416 1066734460 /nfs/dbraw/zinc/73/44/60/1066734460.db2.gz NYGIPXXBLVVGOZ-KBXCAEBGSA-N 0 0 455.530 4.676 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC001545988783 1066734835 /nfs/dbraw/zinc/73/48/35/1066734835.db2.gz SYYAAVQSEULSBU-GTRUEHEQSA-N 0 0 453.945 4.725 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCCCCO)C2)n1 ZINC001492641678 1066734934 /nfs/dbraw/zinc/73/49/34/1066734934.db2.gz IUUHTMKQDIVHDY-SFHVURJKSA-N 0 0 477.581 4.858 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@@H](C)Cc3ccccc3C(F)(F)F)n2)c1 ZINC001446734161 1066734867 /nfs/dbraw/zinc/73/48/67/1066734867.db2.gz LGJPZQVQCXZEBA-ZDUSSCGKSA-N 0 0 451.470 4.604 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001456981864 1066735324 /nfs/dbraw/zinc/73/53/24/1066735324.db2.gz MBDLURCJRAOBAY-GOSISDBHSA-N 0 0 458.986 4.616 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)NCC[C@H]2CCC(F)(F)C2)cc1OC ZINC001456982214 1066735399 /nfs/dbraw/zinc/73/53/99/1066735399.db2.gz YLKWJKYEZBQEJM-CQSZACIVSA-N 0 0 452.523 4.502 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC001446739475 1066735422 /nfs/dbraw/zinc/73/54/22/1066735422.db2.gz CDSKBQYZDLBDDJ-UHFFFAOYSA-N 0 0 451.832 4.531 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC001446743267 1066735453 /nfs/dbraw/zinc/73/54/53/1066735453.db2.gz NPHOTHRHRMLOGD-UHFFFAOYSA-N 0 0 450.716 4.939 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)NCC[C@@H]2CCC(F)(F)C2)cc1OC ZINC001456982193 1066735613 /nfs/dbraw/zinc/73/56/13/1066735613.db2.gz YLKWJKYEZBQEJM-AWEZNQCLSA-N 0 0 452.523 4.502 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)[C@@H]2CCCC[C@H]21 ZINC001446746739 1066735896 /nfs/dbraw/zinc/73/58/96/1066735896.db2.gz ZSYABIBANNNXFN-PVXIVEMSSA-N 0 0 457.294 4.699 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(OCC(C)C)c3)CCO2)n1 ZINC001492642339 1066735969 /nfs/dbraw/zinc/73/59/69/1066735969.db2.gz VCUYFUNJRXMLCP-QFIPXVFZSA-N 0 0 469.655 4.903 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)OCc3nc(C)cs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456984004 1066736055 /nfs/dbraw/zinc/73/60/55/1066736055.db2.gz MPMGDLVWMMWXNI-ZJSXRUAMSA-N 0 0 450.560 4.996 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@H](COc3ccccc3)C2)cnn1-c1cc(F)c(OC)cc1F ZINC001446754698 1066736454 /nfs/dbraw/zinc/73/64/54/1066736454.db2.gz OBDLOVYLCAZKPG-QGZVFWFLSA-N 0 0 455.505 4.653 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN(C)CC(F)(F)F)C2)n1 ZINC001492642442 1066736399 /nfs/dbraw/zinc/73/63/99/1066736399.db2.gz PSKRZPDIWURZQW-INIZCTEOSA-N 0 0 458.598 4.609 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccnc(OCC(F)F)c1)CCO2 ZINC001456988567 1066736473 /nfs/dbraw/zinc/73/64/73/1066736473.db2.gz JSFBOMOGUHGVLJ-OAQYLSRUSA-N 0 0 454.473 4.900 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCCCS(C)(=O)=O)C2)n1 ZINC001492642889 1066736887 /nfs/dbraw/zinc/73/68/87/1066736887.db2.gz VDVGITZEYNCEHM-FQEVSTJZSA-N 0 0 487.695 4.617 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456989573 1066737028 /nfs/dbraw/zinc/73/70/28/1066737028.db2.gz FVWCXAPHXVEGMM-KKSFZXQISA-N 0 0 451.571 4.997 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnccn3)nnc2N2CCC(CC(F)(F)F)CC2)n1 ZINC001492643621 1066737291 /nfs/dbraw/zinc/73/72/91/1066737291.db2.gz OIJOFSHNZYNMSF-UHFFFAOYSA-N 0 0 465.549 4.692 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C)n3CCc3cccc(NC(=O)OC(C)(C)C)c3)CCO2)n1 ZINC001492642638 1066737458 /nfs/dbraw/zinc/73/74/58/1066737458.db2.gz YBKXYJZVJDJNIH-HXUWFJFHSA-N 0 0 484.626 4.519 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(Cl)=C(Cl)C1)OC ZINC001545989301 1066737623 /nfs/dbraw/zinc/73/76/23/1066737623.db2.gz DLZSJMBNAFNXKR-MRXNPFEDSA-N 0 0 488.460 4.717 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)C2)cc1 ZINC001446778703 1066737955 /nfs/dbraw/zinc/73/79/55/1066737955.db2.gz GVNZFRJDTWOVME-JWQCQUIFSA-N 0 0 451.611 4.763 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C2)cc1 ZINC001446779631 1066738009 /nfs/dbraw/zinc/73/80/09/1066738009.db2.gz HKTKRIABIRUARZ-QFIPXVFZSA-N 0 0 453.384 4.684 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(Br)cc(OC)c1 ZINC001456993830 1066738053 /nfs/dbraw/zinc/73/80/53/1066738053.db2.gz VPUWFJFSXOMDBC-UHFFFAOYSA-N 0 0 457.162 4.761 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3CC(C)(C)O)C2)n1 ZINC001492643098 1066738200 /nfs/dbraw/zinc/73/82/00/1066738200.db2.gz YUUCGQKMOBABGR-IAGOWNOFSA-N 0 0 476.046 4.991 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3Cc4ccccc4[C@H]3CC)c2)cc1 ZINC001456996996 1066738472 /nfs/dbraw/zinc/73/84/72/1066738472.db2.gz FLEORDFOGZDERY-XMMPIXPASA-N 0 0 450.560 4.993 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)COC)CCO1 ZINC001546086069 1066738547 /nfs/dbraw/zinc/73/85/47/1066738547.db2.gz YLTZPMAYFCYVLV-JLTOFOAXSA-N 0 0 471.827 4.649 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCCC2)CCO1 ZINC001546086085 1066738570 /nfs/dbraw/zinc/73/85/70/1066738570.db2.gz YPYAHYYUBVXASC-JOCHJYFZSA-N 0 0 477.447 4.798 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@H]2CCC=CCCC2)cc1OC ZINC001456997235 1066738592 /nfs/dbraw/zinc/73/85/92/1066738592.db2.gz YYKXZGYVZLDPMG-IBGZPJMESA-N 0 0 452.551 4.588 20 0 JJADRN Cc1csc(CCCCn2c(N(C)C[C@H]3COc4ccccc4O3)nnc2C(C)(C)C)n1 ZINC001492643294 1066738747 /nfs/dbraw/zinc/73/87/47/1066738747.db2.gz DQZMHLPRMGBRKH-SFHVURJKSA-N 0 0 455.628 4.640 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)C1 ZINC001457000997 1066739133 /nfs/dbraw/zinc/73/91/33/1066739133.db2.gz NNEDZZPAULTJBL-NRFANRHFSA-N 0 0 453.461 4.682 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccc(C)cc3)CC2)cc1 ZINC001446786192 1066739043 /nfs/dbraw/zinc/73/90/43/1066739043.db2.gz RFJDEYIFHCCPQD-UHFFFAOYSA-N 0 0 456.652 4.901 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)Cn2ccc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446786184 1066739096 /nfs/dbraw/zinc/73/90/96/1066739096.db2.gz RCKFIVUKMHQBGO-FBJLLXQBSA-N 0 0 455.961 4.937 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446785907 1066739143 /nfs/dbraw/zinc/73/91/43/1066739143.db2.gz DBLCMTMAAKQJCB-YTXTXJHMSA-N 0 0 452.395 4.935 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001456999018 1066739193 /nfs/dbraw/zinc/73/91/93/1066739193.db2.gz INLMOYZDQPCKPU-KJLVKZSNSA-N 0 0 454.489 4.991 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)n1 ZINC001492643380 1066739272 /nfs/dbraw/zinc/73/92/72/1066739272.db2.gz HGIMEHWFRWZBQS-NRFANRHFSA-N 0 0 455.676 4.919 20 0 JJADRN Cc1csc(CCCCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC001492643372 1066739338 /nfs/dbraw/zinc/73/93/38/1066739338.db2.gz HAYNHYSCBPLPHD-SFHVURJKSA-N 0 0 470.618 4.525 20 0 JJADRN O=C(CCNC(=O)c1oc2ccccc2c1CSC1CCCCC1)NCc1ccccn1 ZINC001446789119 1066739640 /nfs/dbraw/zinc/73/96/40/1066739640.db2.gz ADKIINCBQAJTGH-UHFFFAOYSA-N 0 0 451.592 4.830 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCc3c(cccc3OC)C2)cc1OCC ZINC001446790082 1066739988 /nfs/dbraw/zinc/73/99/88/1066739988.db2.gz CKIXWPXUQQOBOR-UHFFFAOYSA-N 0 0 459.542 4.922 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)cc2)C1 ZINC001446789843 1066740144 /nfs/dbraw/zinc/74/01/44/1066740144.db2.gz FZXOTNFFJXQUPM-WOJBJXKFSA-N 0 0 458.599 4.656 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC001446790300 1066740153 /nfs/dbraw/zinc/74/01/53/1066740153.db2.gz ORKPOVMCHKHIKK-DVECYGJZSA-N 0 0 458.624 4.729 20 0 JJADRN CCc1nc(C(=O)NC[C@H](C)Oc2ccccc2Cl)nn1-c1c(Cl)cccc1Cl ZINC001457006198 1066740181 /nfs/dbraw/zinc/74/01/81/1066740181.db2.gz VDYQQCMHGMYIIR-LBPRGKRZSA-N 0 0 453.757 4.987 20 0 JJADRN Cc1csc(CCCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCSCC2)n1 ZINC001492643794 1066740221 /nfs/dbraw/zinc/74/02/21/1066740221.db2.gz CZONFLODQVICNB-QGZVFWFLSA-N 0 0 461.632 4.898 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001457007186 1066740188 /nfs/dbraw/zinc/74/01/88/1066740188.db2.gz SMJYLUQWHDGIJM-UHFFFAOYSA-N 0 0 452.938 4.662 20 0 JJADRN COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)ccc1OCc1ccc(Cl)cc1Cl ZINC001457009032 1066740448 /nfs/dbraw/zinc/74/04/48/1066740448.db2.gz LSKIIXRFQFFADQ-NFBKMPQASA-N 0 0 458.341 4.969 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457008813 1066740486 /nfs/dbraw/zinc/74/04/86/1066740486.db2.gz JPJPTCGEBCPVSN-XZOQPEGZSA-N 0 0 453.652 4.726 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001457009300 1066740577 /nfs/dbraw/zinc/74/05/77/1066740577.db2.gz KGDIDUXFWXDIJQ-QRWLVFNGSA-N 0 0 450.988 4.639 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457008771 1066740642 /nfs/dbraw/zinc/74/06/42/1066740642.db2.gz JPJPTCGEBCPVSN-DHIUTWEWSA-N 0 0 453.652 4.726 20 0 JJADRN Cc1csc(CCCCn2c(C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC001492643992 1066740572 /nfs/dbraw/zinc/74/05/72/1066740572.db2.gz FKKVZMFYMJFWFK-YOFSQIOKSA-N 0 0 474.675 4.741 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC(CC(=O)NC3CCCC3)CC2)n1 ZINC001492644038 1066741013 /nfs/dbraw/zinc/74/10/13/1066741013.db2.gz GELCCJAAWWPCKK-UHFFFAOYSA-N 0 0 472.703 4.855 20 0 JJADRN O=C(Cc1ccc(-n2cnnc2)cc1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001457010727 1066741138 /nfs/dbraw/zinc/74/11/38/1066741138.db2.gz MLECBMLNQDDMPM-UHFFFAOYSA-N 0 0 452.436 4.937 20 0 JJADRN Cc1csc(CCCCn2c(CCc3ccccc3)nnc2N2CCOC(C)(C)[C@H]2C)n1 ZINC001492644059 1066741183 /nfs/dbraw/zinc/74/11/83/1066741183.db2.gz WGRKOYMMKLUMLG-HXUWFJFHSA-N 0 0 453.656 4.855 20 0 JJADRN O=C(COc1ccc(I)cc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446794870 1066741205 /nfs/dbraw/zinc/74/12/05/1066741205.db2.gz OPLCGWRQWNSGCZ-OAHLLOKOSA-N 0 0 453.295 4.605 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1OC ZINC001457011978 1066741647 /nfs/dbraw/zinc/74/16/47/1066741647.db2.gz QEYOIZXXZKUIHS-IBGZPJMESA-N 0 0 459.546 4.600 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1(c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC001457012499 1066741764 /nfs/dbraw/zinc/74/17/64/1066741764.db2.gz GDBHNUWXVWFKBS-QFIPXVFZSA-N 0 0 456.558 4.994 20 0 JJADRN Cc1c(C(=O)N2CCCCCc3ccccc32)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457010844 1066741779 /nfs/dbraw/zinc/74/17/79/1066741779.db2.gz MHFZUBYODHNPLM-UHFFFAOYSA-N 0 0 453.587 4.532 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)c3c[nH]cc3-c3ccc(C)s3)[nH]c2c(Br)c1 ZINC001457013105 1066742147 /nfs/dbraw/zinc/74/21/47/1066742147.db2.gz DYQUHIUBBJKYTK-UHFFFAOYSA-N 0 0 459.325 4.729 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)cc1 ZINC001446803401 1066742165 /nfs/dbraw/zinc/74/21/65/1066742165.db2.gz IHLWITFEGVFXMH-AWEZNQCLSA-N 0 0 455.407 4.687 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cc(OC)nc2ccccc12 ZINC001457013030 1066742210 /nfs/dbraw/zinc/74/22/10/1066742210.db2.gz SPUTYLFLRUPQNM-KRWDZBQOSA-N 0 0 457.368 4.518 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457013137 1066742303 /nfs/dbraw/zinc/74/23/03/1066742303.db2.gz IUFUCIUTFHIXEG-NOOLENRPSA-N 0 0 479.598 4.507 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOCC(C)C)CCO2)n1 ZINC001492644377 1066742192 /nfs/dbraw/zinc/74/21/92/1066742192.db2.gz LYMPXVSCOMMRFH-NJDAHSKKSA-N 0 0 491.702 4.602 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC001492644386 1066742282 /nfs/dbraw/zinc/74/22/82/1066742282.db2.gz MAZGKDZSMXBIMV-UHFFFAOYSA-N 0 0 475.544 4.520 20 0 JJADRN O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC001446803041 1066742419 /nfs/dbraw/zinc/74/24/19/1066742419.db2.gz CAOOVUJWRYPQAT-RUZDIDTESA-N 0 0 450.579 4.791 20 0 JJADRN COc1ccc([C@H](NC(=O)/C(C)=C/c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457014413 1066742879 /nfs/dbraw/zinc/74/28/79/1066742879.db2.gz JDFSYRCMSHGVTK-BRGVFWSASA-N 0 0 453.535 4.547 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CCOc4ccccc4)n3CCCC(C)C)CCO2)n1 ZINC001492644551 1066742765 /nfs/dbraw/zinc/74/27/65/1066742765.db2.gz RELHULNWQGOZNG-OAQYLSRUSA-N 0 0 455.628 4.679 20 0 JJADRN COc1cc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc(OC)c1Br ZINC001446808346 1066742848 /nfs/dbraw/zinc/74/28/48/1066742848.db2.gz OCFMLRFLZBMRLU-OAHLLOKOSA-N 0 0 459.381 4.734 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)n1 ZINC001492644648 1066743434 /nfs/dbraw/zinc/74/34/34/1066743434.db2.gz VKESCHQTXMTXCX-UHFFFAOYSA-N 0 0 490.559 4.517 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC001457014690 1066743517 /nfs/dbraw/zinc/74/35/17/1066743517.db2.gz ARLQIQYHDMNWPW-FQEVSTJZSA-N 0 0 456.030 4.882 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001492644873 1066743913 /nfs/dbraw/zinc/74/39/13/1066743913.db2.gz CWJYGLJPZVVBPC-SFHVURJKSA-N 0 0 481.597 4.619 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)C(C)(C)C1 ZINC001446812086 1066744109 /nfs/dbraw/zinc/74/41/09/1066744109.db2.gz DPFUGRNVQBDJAV-SFHVURJKSA-N 0 0 454.640 4.802 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)c1 ZINC001492644899 1066744357 /nfs/dbraw/zinc/74/43/57/1066744357.db2.gz DTZJKSGRARGNAC-RBUKOAKNSA-N 0 0 490.073 4.799 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001457018480 1066744373 /nfs/dbraw/zinc/74/43/73/1066744373.db2.gz MMQKYQYPTSMUNK-UHFFFAOYSA-N 0 0 454.324 4.893 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446817576 1066744446 /nfs/dbraw/zinc/74/44/46/1066744446.db2.gz ZEJXGOVJZZANHW-AOMKIAJQSA-N 0 0 456.464 4.738 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)nc1C ZINC001457019532 1066745073 /nfs/dbraw/zinc/74/50/73/1066745073.db2.gz SMZMBXSFSQHDDY-QGZVFWFLSA-N 0 0 453.539 4.743 20 0 JJADRN Cc1csc(CCCCn2c(N3CCN(c4cc(F)cc(F)c4)CC3)nnc2C(C)(C)C)n1 ZINC001492645286 1066745344 /nfs/dbraw/zinc/74/53/44/1066745344.db2.gz RBAYLIBYCCHABH-UHFFFAOYSA-N 0 0 474.625 4.968 20 0 JJADRN COC(=O)[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)CC1CCCC1 ZINC001457019953 1066745506 /nfs/dbraw/zinc/74/55/06/1066745506.db2.gz XBLAFYAUFZTRNF-RTWAWAEBSA-N 0 0 452.636 4.583 20 0 JJADRN CCN(CC)C(=O)CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC001446826211 1066745529 /nfs/dbraw/zinc/74/55/29/1066745529.db2.gz XORDKXCAZBRVMC-HSZRJFAPSA-N 0 0 450.501 4.958 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CC(F)(F)C2)c1 ZINC001492645287 1066745971 /nfs/dbraw/zinc/74/59/71/1066745971.db2.gz RBGPIIJFZOGBNA-UHFFFAOYSA-N 0 0 479.984 4.913 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3cc(Br)sc3[nH]1)C2 ZINC001457023735 1066746063 /nfs/dbraw/zinc/74/60/63/1066746063.db2.gz HCEGIHMCRPDSMJ-DRZSPHRISA-N 0 0 454.390 4.510 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCOC2)c1 ZINC001492645413 1066746082 /nfs/dbraw/zinc/74/60/82/1066746082.db2.gz VKZPYLBCLLNLMW-LJQANCHMSA-N 0 0 453.612 4.580 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(C)(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001492645525 1066746380 /nfs/dbraw/zinc/74/63/80/1066746380.db2.gz ZGWWMBCWGRSBNA-UHFFFAOYSA-N 0 0 457.591 4.742 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001492645606 1066746411 /nfs/dbraw/zinc/74/64/11/1066746411.db2.gz BUYNZBMLWYRKLI-UHFFFAOYSA-N 0 0 481.935 4.800 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(F)(F)F)n1 ZINC001492645516 1066746417 /nfs/dbraw/zinc/74/64/17/1066746417.db2.gz YWIOLFJSNGIFGW-NVXWUHKLSA-N 0 0 459.582 4.983 20 0 JJADRN CC(C)Oc1cc(C(=O)NCCNc2cccc(Br)c2)ccc1Br ZINC001446838537 1066746680 /nfs/dbraw/zinc/74/66/80/1066746680.db2.gz TYNYNVGDQRFMST-UHFFFAOYSA-N 0 0 456.178 4.841 20 0 JJADRN C[C@@H](CCO)C1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCC1 ZINC001446844957 1066747376 /nfs/dbraw/zinc/74/73/76/1066747376.db2.gz GTBUSLXVDXPQGW-INIZCTEOSA-N 0 0 459.384 4.620 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)C1CCCCC1 ZINC001446848163 1066747888 /nfs/dbraw/zinc/74/78/88/1066747888.db2.gz UGSGKJISAMEORE-QHCPKHFHSA-N 0 0 456.583 4.547 20 0 JJADRN C[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC12CCC2 ZINC001446848636 1066747905 /nfs/dbraw/zinc/74/79/05/1066747905.db2.gz VGBGLZKSBWNFDW-HNNXBMFYSA-N 0 0 450.963 4.932 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001446848490 1066748349 /nfs/dbraw/zinc/74/83/49/1066748349.db2.gz NUFVFROBWXYQIV-FQEVSTJZSA-N 0 0 452.555 4.568 20 0 JJADRN COC(=O)c1cc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)c[nH]1 ZINC001446850071 1066748517 /nfs/dbraw/zinc/74/85/17/1066748517.db2.gz SBJHLKHOKHGNKV-IBGZPJMESA-N 0 0 450.388 4.509 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC001457030481 1066748627 /nfs/dbraw/zinc/74/86/27/1066748627.db2.gz SSXFGDQNCTVDIM-RVRUMGBDSA-N 0 0 455.023 4.881 20 0 JJADRN CC(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(F)c1 ZINC001457031627 1066748994 /nfs/dbraw/zinc/74/89/94/1066748994.db2.gz UNULOPMYPXYQES-JOCHJYFZSA-N 0 0 459.926 4.605 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCc3cc(Br)cc(F)c3C2)C(C)(C)C1(C)C ZINC001446858596 1066749013 /nfs/dbraw/zinc/74/90/13/1066749013.db2.gz VJXCCFCACBXFPK-UHFFFAOYSA-N 0 0 454.380 4.867 20 0 JJADRN CCc1cnccc1[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001446864720 1066749468 /nfs/dbraw/zinc/74/94/68/1066749468.db2.gz GINSTLSHAOLCGK-AWEZNQCLSA-N 0 0 456.340 4.672 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001446868579 1066749872 /nfs/dbraw/zinc/74/98/72/1066749872.db2.gz HZEGANCPCMKKKH-CVEARBPZSA-N 0 0 451.398 4.976 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001446868642 1066749994 /nfs/dbraw/zinc/74/99/94/1066749994.db2.gz HZEGANCPCMKKKH-HZPDHXFCSA-N 0 0 451.398 4.976 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001446865445 1066750031 /nfs/dbraw/zinc/75/00/31/1066750031.db2.gz CYWPEVQMSAJAGT-MZLICYQSSA-N 0 0 454.998 4.866 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)COCc2ccccc2)c1 ZINC001492646720 1066749951 /nfs/dbraw/zinc/74/99/51/1066749951.db2.gz PVCGEYLBDQLZPG-IBGZPJMESA-N 0 0 450.612 4.538 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)Nc3ccc(Br)c4ccccc34)c(=O)[nH]c21 ZINC001446873251 1066750431 /nfs/dbraw/zinc/75/04/31/1066750431.db2.gz WSWWVTYHUQPHTC-JXMROGBWSA-N 0 0 451.324 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC001446871777 1066750452 /nfs/dbraw/zinc/75/04/52/1066750452.db2.gz UMGVBWSHPQTKOZ-DEOSSOPVSA-N 0 0 458.643 4.994 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001446874525 1066751415 /nfs/dbraw/zinc/75/14/15/1066751415.db2.gz BYVJLQPXZAFTNJ-VGOFRKELSA-N 0 0 459.612 4.713 20 0 JJADRN Cc1csc(CN(C)c2nnc(CC(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC001492647538 1066751397 /nfs/dbraw/zinc/75/13/97/1066751397.db2.gz OQBHLMBLFOWOCA-GOSISDBHSA-N 0 0 473.609 4.526 20 0 JJADRN Cc1cc(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001446878092 1066752319 /nfs/dbraw/zinc/75/23/19/1066752319.db2.gz JALREKFONBUPRR-QGZVFWFLSA-N 0 0 457.333 4.631 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nc2c(cc(Br)cc2OC)s1 ZINC001457059854 1066752659 /nfs/dbraw/zinc/75/26/59/1066752659.db2.gz AITCQAWXHDPERQ-LLVKDONJSA-N 0 0 458.337 4.521 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cn2)nnc1-c1ccccc1 ZINC001457060983 1066752672 /nfs/dbraw/zinc/75/26/72/1066752672.db2.gz VGDLAPAMYIJHFL-LAUBAEHRSA-N 0 0 451.596 4.776 20 0 JJADRN O=C(Cc1ccc(I)cc1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001457060313 1066752738 /nfs/dbraw/zinc/75/27/38/1066752738.db2.gz MRJWTHFVEANYOH-NRFANRHFSA-N 0 0 455.339 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC001446881778 1066752752 /nfs/dbraw/zinc/75/27/52/1066752752.db2.gz RWZDGXBDPBUFQP-UHFFFAOYSA-N 0 0 451.405 4.631 20 0 JJADRN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCc2ccsc2)c1 ZINC001492647978 1066752878 /nfs/dbraw/zinc/75/28/78/1066752878.db2.gz DLUDJMQISRQJNQ-UHFFFAOYSA-N 0 0 457.650 4.580 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CCc2cc(CC)ccc21 ZINC001457062257 1066753109 /nfs/dbraw/zinc/75/31/09/1066753109.db2.gz GGNCCKFRLRZXJW-HXUWFJFHSA-N 0 0 458.400 4.569 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446882578 1066753258 /nfs/dbraw/zinc/75/32/58/1066753258.db2.gz SBUKIYVIMFZLPO-LLVKDONJSA-N 0 0 452.691 4.998 20 0 JJADRN COc1ccc(CN(C(=O)c2cc3c(C)nn(C)c3nc2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC001446882819 1066753307 /nfs/dbraw/zinc/75/33/07/1066753307.db2.gz TYTRUZSZQUVTDF-ZHRRBRCNSA-N 0 0 450.583 4.823 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)c1 ZINC001492648299 1066753327 /nfs/dbraw/zinc/75/33/27/1066753327.db2.gz PRMMEVUWAHFUQF-MRXNPFEDSA-N 0 0 483.421 4.586 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064427 1066753527 /nfs/dbraw/zinc/75/35/27/1066753527.db2.gz FGVSAPKOYRDVSH-NMMYMHLASA-N 0 0 455.526 4.686 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064439 1066753680 /nfs/dbraw/zinc/75/36/80/1066753680.db2.gz FGVSAPKOYRDVSH-SKPFHBQLSA-N 0 0 455.526 4.686 20 0 JJADRN O=C(NCCSCc1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001446886540 1066753692 /nfs/dbraw/zinc/75/36/92/1066753692.db2.gz ZYPKEDJQKDGLJU-HNNXBMFYSA-N 0 0 458.455 4.707 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)C(C)(C)C)c1 ZINC001492648357 1066753990 /nfs/dbraw/zinc/75/39/90/1066753990.db2.gz RNWZBIXKYSLSBK-SAFKIGCLSA-N 0 0 466.717 4.750 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCO3)n2CCCCn2cc(Br)cn2)c1 ZINC001492648358 1066754093 /nfs/dbraw/zinc/75/40/93/1066754093.db2.gz ROCNAORRUVSEEM-GOSISDBHSA-N 0 0 479.448 4.575 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1 ZINC001457065850 1066754163 /nfs/dbraw/zinc/75/41/63/1066754163.db2.gz RYFFQWSVIXSBGD-UHFFFAOYSA-N 0 0 450.579 4.980 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1ccc(Br)cc1 ZINC001446887210 1066754312 /nfs/dbraw/zinc/75/43/12/1066754312.db2.gz CHPODCRYTZCOSR-CABCVRRESA-N 0 0 457.434 4.788 20 0 JJADRN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CCCS2)c1 ZINC001492648458 1066754458 /nfs/dbraw/zinc/75/44/58/1066754458.db2.gz WYTKCYISJBOKMX-OAQYLSRUSA-N 0 0 461.682 4.562 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)c1 ZINC001492648460 1066754540 /nfs/dbraw/zinc/75/45/40/1066754540.db2.gz XDCVZCRIZBKEMC-UHFFFAOYSA-N 0 0 490.073 4.628 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC001446904290 1066754841 /nfs/dbraw/zinc/75/48/41/1066754841.db2.gz RLRWODZMBRANFX-OALUTQOASA-N 0 0 451.567 4.717 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](OCC(C)C)C2)n1 ZINC001492648603 1066755038 /nfs/dbraw/zinc/75/50/38/1066755038.db2.gz CAYIMWPPYXHRLX-SFHVURJKSA-N 0 0 463.554 4.611 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CCCOc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457072295 1066755195 /nfs/dbraw/zinc/75/51/95/1066755195.db2.gz KPGIZWMVEPPDMT-AREMUKBSSA-N 0 0 451.588 4.717 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446908383 1066755788 /nfs/dbraw/zinc/75/57/88/1066755788.db2.gz JIAACFIIWJJCJU-YKSBVNFPSA-N 0 0 457.977 4.653 20 0 JJADRN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908715 1066755832 /nfs/dbraw/zinc/75/58/32/1066755832.db2.gz KUSJYHNQAFFKNM-CYBMUJFWSA-N 0 0 454.939 4.779 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001492649083 1066756000 /nfs/dbraw/zinc/75/60/00/1066756000.db2.gz QOSLFUUBWICNTL-ZIAGYGMSSA-N 0 0 464.458 4.851 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457077275 1066756227 /nfs/dbraw/zinc/75/62/27/1066756227.db2.gz WVVGJJGDLHMNSX-LADGPHEKSA-N 0 0 455.551 4.601 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457077279 1066756262 /nfs/dbraw/zinc/75/62/62/1066756262.db2.gz WVVGJJGDLHMNSX-UPVQGACJSA-N 0 0 455.551 4.601 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492649385 1066756381 /nfs/dbraw/zinc/75/63/81/1066756381.db2.gz AGHCDWPSTJOYSK-BGYRXZFFSA-N 0 0 482.698 4.601 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457078048 1066756798 /nfs/dbraw/zinc/75/67/98/1066756798.db2.gz SGSDVXMWPXVPBU-GSLIJJQTSA-N 0 0 463.599 4.670 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCc1cc(OCC(F)F)ccn1)OCC3 ZINC001446917325 1066756919 /nfs/dbraw/zinc/75/69/19/1066756919.db2.gz IECMWAMWIRAFRB-RUZDIDTESA-N 0 0 457.521 4.654 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545990676 1066757156 /nfs/dbraw/zinc/75/71/56/1066757156.db2.gz WNMIJPUNSUHTHE-GMAHTHKFSA-N 0 0 483.657 4.717 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N2CCSC[C@H]2C)n1 ZINC001492649715 1066757022 /nfs/dbraw/zinc/75/70/22/1066757022.db2.gz MTQWIVFOFFHURB-LLVKDONJSA-N 0 0 456.460 4.524 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@H](C)CSC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079684 1066757305 /nfs/dbraw/zinc/75/73/05/1066757305.db2.gz TVGNYAWZCXKZKJ-KUHUBIRLSA-N 0 0 459.555 4.747 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2cccc(CCOC(C)=O)c2)nnc1-c1ccccc1 ZINC001446930240 1066757581 /nfs/dbraw/zinc/75/75/81/1066757581.db2.gz XIJURSYMEBSDBL-KRWDZBQOSA-N 0 0 452.580 4.753 20 0 JJADRN CCc1cc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC001457081811 1066757650 /nfs/dbraw/zinc/75/76/50/1066757650.db2.gz XDPXRNOWVMVELR-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(Br)cc2)n1 ZINC001492650841 1066757903 /nfs/dbraw/zinc/75/79/03/1066757903.db2.gz VRCIYJOPHIUPFB-KRWDZBQOSA-N 0 0 462.417 4.732 20 0 JJADRN Cc1csc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)n1 ZINC001492650806 1066757943 /nfs/dbraw/zinc/75/79/43/1066757943.db2.gz UZLKHHUVUVXEOP-WMZOPIPTSA-N 0 0 494.434 4.895 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492650409 1066757974 /nfs/dbraw/zinc/75/79/74/1066757974.db2.gz JWSGXMDEPVUJJX-LJQANCHMSA-N 0 0 486.642 4.744 20 0 JJADRN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1ccc(I)cc1Cl ZINC001446947355 1066758183 /nfs/dbraw/zinc/75/81/83/1066758183.db2.gz PFRDTTPVOSHGFZ-CYBMUJFWSA-N 0 0 455.601 4.793 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(CCCO)CC2)n1 ZINC001492651040 1066758375 /nfs/dbraw/zinc/75/83/75/1066758375.db2.gz BYPVPVRNZUHKJH-UHFFFAOYSA-N 0 0 496.464 4.966 20 0 JJADRN Cc1csc(Cn2c(CCCc3ccccc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC001492651093 1066758467 /nfs/dbraw/zinc/75/84/67/1066758467.db2.gz DXYNIRHGHFYWBY-HSZRJFAPSA-N 0 0 493.599 4.796 20 0 JJADRN Cc1csc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC(C)CC2)n1 ZINC001492651057 1066758475 /nfs/dbraw/zinc/75/84/75/1066758475.db2.gz COWMEGCZCDHVBL-AFGAAMFOSA-N 0 0 474.675 4.877 20 0 JJADRN C[C@@](NC(=O)c1cc(I)cc(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC001457088445 1066758596 /nfs/dbraw/zinc/75/85/96/1066758596.db2.gz LIJYBIAHSDXFIM-GFCCVEGCSA-N 0 0 451.148 4.771 20 0 JJADRN CCc1cnccc1CNC(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446959354 1066758725 /nfs/dbraw/zinc/75/87/25/1066758725.db2.gz JCRNNGSUWBPENZ-NDEPHWFRSA-N 0 0 457.574 4.968 20 0 JJADRN Cc1csc(Cn2c(CCCc3ccccc3)nnc2N2CCC=C(Br)C2)n1 ZINC001492651410 1066758875 /nfs/dbraw/zinc/75/88/75/1066758875.db2.gz QDRQIPBPLRSTOO-UHFFFAOYSA-N 0 0 458.429 4.756 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCCO2)n1 ZINC001492651484 1066758885 /nfs/dbraw/zinc/75/88/85/1066758885.db2.gz SAWLHZSBJVUGJN-HXUWFJFHSA-N 0 0 455.628 4.583 20 0 JJADRN CCc1cnccc1CNC(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446965208 1066759103 /nfs/dbraw/zinc/75/91/03/1066759103.db2.gz PHNAGZODCNLFDN-HXUWFJFHSA-N 0 0 457.574 4.825 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3CCSCc3ccccc3F)CC2)n1 ZINC001492651926 1066759204 /nfs/dbraw/zinc/75/92/04/1066759204.db2.gz IPXLIZFNODSAIJ-UHFFFAOYSA-N 0 0 460.648 4.566 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4ccccc4Cl)n3CCSC(C)C)CC2)n1 ZINC001492651802 1066759411 /nfs/dbraw/zinc/75/94/11/1066759411.db2.gz CYPDVEZBJOZQHN-UHFFFAOYSA-N 0 0 463.076 4.832 20 0 JJADRN Cc1csc(N2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCSC(C)C)CC2)n1 ZINC001492652296 1066759755 /nfs/dbraw/zinc/75/97/55/1066759755.db2.gz RKXKRQCSBQXEJW-GOSISDBHSA-N 0 0 490.674 4.790 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cc(Cl)ccc2OC2CCCC2)c1 ZINC001457092813 1066759848 /nfs/dbraw/zinc/75/98/48/1066759848.db2.gz SJFDMOSKOYQGJN-UHFFFAOYSA-N 0 0 451.972 4.705 20 0 JJADRN Cc1cc(NC(=O)[C@H]2N(C(=O)OCc3ccccc3)CC2(C)C)nn1-c1ccccc1Cl ZINC001446965974 1066759835 /nfs/dbraw/zinc/75/98/35/1066759835.db2.gz RHCWWFQZABFAAV-OAQYLSRUSA-N 0 0 452.942 4.820 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492652444 1066760292 /nfs/dbraw/zinc/76/02/92/1066760292.db2.gz GDBSRRIRHNPXCR-SFHVURJKSA-N 0 0 468.602 4.962 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492652443 1066760343 /nfs/dbraw/zinc/76/03/43/1066760343.db2.gz GDBSRRIRHNPXCR-GOSISDBHSA-N 0 0 468.602 4.962 20 0 JJADRN COc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NC(C)(C)C ZINC001457096440 1066760776 /nfs/dbraw/zinc/76/07/76/1066760776.db2.gz HOJDKMMQRVPEBW-UHFFFAOYSA-N 0 0 452.576 4.716 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446980441 1066760884 /nfs/dbraw/zinc/76/08/84/1066760884.db2.gz IOROGSOKYMAWRD-QGZVFWFLSA-N 0 0 457.347 4.712 20 0 JJADRN O=C(N[C@@H]1CC12CCCCC2)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001446977597 1066760929 /nfs/dbraw/zinc/76/09/29/1066760929.db2.gz BLLRHDBOJXVXOW-LJQANCHMSA-N 0 0 452.498 4.959 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492652884 1066761352 /nfs/dbraw/zinc/76/13/52/1066761352.db2.gz QAJGFGWFQUORES-MOPGFXCFSA-N 0 0 485.629 4.669 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C12CCCCC2 ZINC001457098626 1066761438 /nfs/dbraw/zinc/76/14/38/1066761438.db2.gz AJUFWJADYBDPMK-BJKOFHAPSA-N 0 0 455.643 4.537 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C12CCCCC2 ZINC001457098629 1066761466 /nfs/dbraw/zinc/76/14/66/1066761466.db2.gz AJUFWJADYBDPMK-DNQXCXABSA-N 0 0 455.643 4.537 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC001446981889 1066761404 /nfs/dbraw/zinc/76/14/04/1066761404.db2.gz NSRPADHIROIKNJ-UHFFFAOYSA-N 0 0 457.502 4.710 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446989547 1066762442 /nfs/dbraw/zinc/76/24/42/1066762442.db2.gz UUUABTWJOSXDCK-MRXNPFEDSA-N 0 0 455.356 4.571 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1nccs1 ZINC001492653921 1066762864 /nfs/dbraw/zinc/76/28/64/1066762864.db2.gz ILSQNNMOKFFXBV-UHFFFAOYSA-N 0 0 463.430 4.557 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2c(o1)CCCC2)c1ccc(Br)cc1 ZINC001457102763 1066762874 /nfs/dbraw/zinc/76/28/74/1066762874.db2.gz QNFVJBGLLIOCIQ-MRXNPFEDSA-N 0 0 450.333 4.520 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001492653888 1066762906 /nfs/dbraw/zinc/76/29/06/1066762906.db2.gz PMMIATOAQMUFCV-KRWDZBQOSA-N 0 0 473.046 4.798 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492653906 1066763011 /nfs/dbraw/zinc/76/30/11/1066763011.db2.gz PQKAJUOIHAMNBA-FPOVZHCZSA-N 0 0 489.686 4.877 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001446990227 1066763059 /nfs/dbraw/zinc/76/30/59/1066763059.db2.gz LFRMOBLHCLQNQR-HZPDHXFCSA-N 0 0 458.580 4.656 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001492654238 1066763326 /nfs/dbraw/zinc/76/33/26/1066763326.db2.gz PLMFJIQGSHWODU-MRXNPFEDSA-N 0 0 487.345 4.893 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492654082 1066763351 /nfs/dbraw/zinc/76/33/51/1066763351.db2.gz LWPGWKQEIUJGCD-QGZVFWFLSA-N 0 0 458.031 4.710 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)[C@H]2CCCO[C@@H]21 ZINC001457105317 1066763423 /nfs/dbraw/zinc/76/34/23/1066763423.db2.gz XQBCYSLGXCPDBG-WZYXQFPFSA-N 0 0 454.135 4.531 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)c2ccccc21 ZINC001457105491 1066763515 /nfs/dbraw/zinc/76/35/15/1066763515.db2.gz ZAUGIQDZGISZQZ-XMSQKQJNSA-N 0 0 456.583 4.640 20 0 JJADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001446994328 1066763443 /nfs/dbraw/zinc/76/34/43/1066763443.db2.gz DWEFZMRMDPDRMH-GFCCVEGCSA-N 0 0 458.342 4.594 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492654314 1066763813 /nfs/dbraw/zinc/76/38/13/1066763813.db2.gz UWNWKAWVDVHTQZ-FPOVZHCZSA-N 0 0 487.670 4.797 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001446997061 1066763949 /nfs/dbraw/zinc/76/39/49/1066763949.db2.gz VFYRHWGYJPAOFS-KGLIPLIRSA-N 0 0 453.370 4.649 20 0 JJADRN Cc1cc(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)nn1-c1cccc(Cl)c1 ZINC001446996494 1066763997 /nfs/dbraw/zinc/76/39/97/1066763997.db2.gz LQWDVRLJYARLBE-IBGZPJMESA-N 0 0 452.711 4.582 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCO[C@@H](C)C2)s1 ZINC001492654932 1066764838 /nfs/dbraw/zinc/76/48/38/1066764838.db2.gz HMHHVRUBUYZIJQ-AWEZNQCLSA-N 0 0 476.444 4.557 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)c2ccco2)CCO1 ZINC001546087351 1066764861 /nfs/dbraw/zinc/76/48/61/1066764861.db2.gz KQWGUHWMJCWOIU-XZOQPEGZSA-N 0 0 489.414 4.522 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492655108 1066765272 /nfs/dbraw/zinc/76/52/72/1066765272.db2.gz KZMOOSBHLBAOHN-UWJYYQICSA-N 0 0 473.618 4.734 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H](C)NC(=O)OC(C)(C)C ZINC001457113602 1066765390 /nfs/dbraw/zinc/76/53/90/1066765390.db2.gz NSUFRJPJXHASPR-SUMWQHHRSA-N 0 0 453.008 4.906 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001447010824 1066765459 /nfs/dbraw/zinc/76/54/59/1066765459.db2.gz JSNFYFFJKMSKLZ-OAHLLOKOSA-N 0 0 454.189 4.718 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC)cc1Br ZINC001447012858 1066765616 /nfs/dbraw/zinc/76/56/16/1066765616.db2.gz NAGSAMBULPXSEL-DEYYWGMASA-N 0 0 457.409 4.964 20 0 JJADRN Cc1cscc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001492655296 1066765698 /nfs/dbraw/zinc/76/56/98/1066765698.db2.gz GTLUGXGYKNVQEA-UHFFFAOYSA-N 0 0 490.098 4.947 20 0 JJADRN Cc1cscc1Cn1c(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C ZINC001492655281 1066765728 /nfs/dbraw/zinc/76/57/28/1066765728.db2.gz GNCKFDVRMJTVGJ-UHFFFAOYSA-N 0 0 472.058 5.000 20 0 JJADRN COc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001447017050 1066765964 /nfs/dbraw/zinc/76/59/64/1066765964.db2.gz UHPYFHPBWNDXSZ-SUNYJGFJSA-N 0 0 455.393 4.718 20 0 JJADRN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)CC(=O)N2C(C)(C)C)cn1 ZINC001457116144 1066766008 /nfs/dbraw/zinc/76/60/08/1066766008.db2.gz VBBMDEQECFIJAR-JXFKEZNVSA-N 0 0 453.612 4.654 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 ZINC001492654882 1066766286 /nfs/dbraw/zinc/76/62/86/1066766286.db2.gz GESACAIYBWDQOV-HNNXBMFYSA-N 0 0 493.464 4.660 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492655383 1066766318 /nfs/dbraw/zinc/76/63/18/1066766318.db2.gz POPXHBASAHQYCD-UAIZEJDJSA-N 0 0 482.679 4.534 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1cc2ncccn2n1 ZINC001457117446 1066766585 /nfs/dbraw/zinc/76/65/85/1066766585.db2.gz ZTMUDPJTTRBYKY-UHFFFAOYSA-N 0 0 453.340 4.575 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCCC2)s1 ZINC001492655511 1066766761 /nfs/dbraw/zinc/76/67/61/1066766761.db2.gz SMDQWUFQWKFYIQ-UHFFFAOYSA-N 0 0 487.073 4.804 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccccn2)s1 ZINC001492655608 1066766908 /nfs/dbraw/zinc/76/69/08/1066766908.db2.gz UOGCZEZEQDEUJC-QGZVFWFLSA-N 0 0 466.586 4.905 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC001457122156 1066767120 /nfs/dbraw/zinc/76/71/20/1066767120.db2.gz GTITYZVRZMQMEL-UHFFFAOYSA-N 0 0 455.551 4.956 20 0 JJADRN CCC[C@](C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC001457121662 1066767189 /nfs/dbraw/zinc/76/71/89/1066767189.db2.gz FGZBFFMQXJOLCE-VWLOTQADSA-N 0 0 452.576 4.941 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)[C@@H](C)[C@H]1OC ZINC001447023269 1066767268 /nfs/dbraw/zinc/76/72/68/1066767268.db2.gz LHFBYEKRWBVDAB-IPHXSNPTSA-N 0 0 455.624 4.844 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 ZINC001492655762 1066767323 /nfs/dbraw/zinc/76/73/23/1066767323.db2.gz MSYJLURLIWPUGB-PMACEKPBSA-N 0 0 475.659 4.630 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c(NC(=O)OC(C)(C)C)cnn2C)cc1 ZINC001457124155 1066767663 /nfs/dbraw/zinc/76/76/63/1066767663.db2.gz IKKLAVMFAGCCSH-INIZCTEOSA-N 0 0 450.539 4.934 20 0 JJADRN Cc1cscc1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001492656045 1066767835 /nfs/dbraw/zinc/76/78/35/1066767835.db2.gz VLWFZYNIMOHKOV-UHFFFAOYSA-N 0 0 465.667 4.566 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC001457128165 1066768143 /nfs/dbraw/zinc/76/81/43/1066768143.db2.gz OKCLMIJJRZQQTK-AWEZNQCLSA-N 0 0 451.324 4.658 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c2ccccc2)cc1 ZINC001457128329 1066768200 /nfs/dbraw/zinc/76/82/00/1066768200.db2.gz UBHQFXGKPPYXRW-NFBKMPQASA-N 0 0 455.558 4.502 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)s1 ZINC001492656317 1066768532 /nfs/dbraw/zinc/76/85/32/1066768532.db2.gz DUZTYXZAJHWTMI-OAQYLSRUSA-N 0 0 469.655 4.702 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 ZINC001447046179 1066768431 /nfs/dbraw/zinc/76/84/31/1066768431.db2.gz FJAIOLKMNUHQEA-FCHUYYIVSA-N 0 0 457.615 4.941 20 0 JJADRN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001457129743 1066768819 /nfs/dbraw/zinc/76/88/19/1066768819.db2.gz VXWKWCPNQYDGSM-UHFFFAOYSA-N 0 0 457.246 4.612 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492656423 1066768861 /nfs/dbraw/zinc/76/88/61/1066768861.db2.gz HTHAWOZGPQMLNP-LJQANCHMSA-N 0 0 474.675 4.697 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)c1nc(-c2ccccc2)no1 ZINC001447047847 1066769157 /nfs/dbraw/zinc/76/91/57/1066769157.db2.gz BNHWLLHDKUTJPA-YLJYHZDGSA-N 0 0 456.587 4.820 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001457132089 1066769234 /nfs/dbraw/zinc/76/92/34/1066769234.db2.gz HIESJGAZDSKNEW-CENXUZMRSA-N 0 0 479.952 4.656 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(OC)ccc2O)c1 ZINC001447050959 1066769233 /nfs/dbraw/zinc/76/92/33/1066769233.db2.gz QLAQQKIYFSMZHY-UHFFFAOYSA-N 0 0 454.548 4.649 20 0 JJADRN Cc1nc(C)c(CCn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001492656717 1066769451 /nfs/dbraw/zinc/76/94/51/1066769451.db2.gz FDFMETDQZVPVTR-JOCHJYFZSA-N 0 0 471.696 4.793 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492656727 1066769471 /nfs/dbraw/zinc/76/94/71/1066769471.db2.gz FIRCOOXTDABEEH-HRAATJIYSA-N 0 0 455.628 4.609 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc[nH]3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492656875 1066769529 /nfs/dbraw/zinc/76/95/29/1066769529.db2.gz OIGCBOSMGAMXOU-UHFFFAOYSA-N 0 0 499.685 4.673 20 0 JJADRN Cc1cncc(CNC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001447055062 1066769642 /nfs/dbraw/zinc/76/96/42/1066769642.db2.gz ROHSUILPJUGPGQ-SANMLTNESA-N 0 0 457.574 4.960 20 0 JJADRN COC(=O)C1(C2(O)CCN(C(=O)c3cc(Cl)ccc3Sc3ccccc3)CC2)CCC1 ZINC001457135711 1066770094 /nfs/dbraw/zinc/77/00/94/1066770094.db2.gz HTUOESSZSPAJTC-UHFFFAOYSA-N 0 0 459.995 4.802 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492657663 1066771063 /nfs/dbraw/zinc/77/10/63/1066771063.db2.gz ZKBXENJIPYENPP-GOSISDBHSA-N 0 0 475.609 4.714 20 0 JJADRN Cc1cccnc1[C@@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001457138331 1066771009 /nfs/dbraw/zinc/77/10/09/1066771009.db2.gz MZUWVZLPIRZDFS-MRXNPFEDSA-N 0 0 457.452 4.917 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545992306 1066771333 /nfs/dbraw/zinc/77/13/33/1066771333.db2.gz HJPNWBKLIHKVTO-XLIONFOSSA-N 0 0 473.618 4.576 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492657546 1066771384 /nfs/dbraw/zinc/77/13/84/1066771384.db2.gz XCEDUZNNCPFDLW-RKXCMPKHSA-N 0 0 457.669 4.796 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3cccc4cccc(Br)c43)CC2)n1 ZINC001457142354 1066771424 /nfs/dbraw/zinc/77/14/24/1066771424.db2.gz GGPSEMTVHPTIJM-UHFFFAOYSA-N 0 0 454.368 4.795 20 0 JJADRN Cc1cc(-n2cccn2)ccc1CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457143082 1066771492 /nfs/dbraw/zinc/77/14/92/1066771492.db2.gz BYCMZNUZUCTOHB-UHFFFAOYSA-N 0 0 457.374 4.914 20 0 JJADRN CC(C)(C)OC(=O)Cn1cccc(C(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1=O ZINC001457142836 1066771515 /nfs/dbraw/zinc/77/15/15/1066771515.db2.gz VHSVPTHKGMOMNA-GGAORHGYSA-N 0 0 456.627 4.934 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC001447074061 1066771497 /nfs/dbraw/zinc/77/14/97/1066771497.db2.gz UEJYPEPJTBAZHZ-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(Br)o2)s1 ZINC001492657943 1066771898 /nfs/dbraw/zinc/77/18/98/1066771898.db2.gz GTQOODHCDJKQED-OAHLLOKOSA-N 0 0 466.405 4.633 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545992333 1066771998 /nfs/dbraw/zinc/77/19/98/1066771998.db2.gz HSLGGRSVMVMPGP-JBACZVJFSA-N 0 0 492.661 4.582 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492657781 1066772083 /nfs/dbraw/zinc/77/20/83/1066772083.db2.gz AEKURLQFNQJWJJ-QGZVFWFLSA-N 0 0 496.628 4.750 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccn3)nnc2N(C)Cc2cccc(OC(F)F)c2)s1 ZINC001492657847 1066772123 /nfs/dbraw/zinc/77/21/23/1066772123.db2.gz CQTWHYPEEAJZIA-UHFFFAOYSA-N 0 0 456.522 4.700 20 0 JJADRN COc1cc(CCC(=O)N2C[C@H](n3cccn3)Cc3ccccc32)ccc1OCC(F)(F)F ZINC001457144279 1066772065 /nfs/dbraw/zinc/77/20/65/1066772065.db2.gz XDKXQWIBYYGRBR-LJQANCHMSA-N 0 0 459.468 4.596 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492658116 1066772497 /nfs/dbraw/zinc/77/24/97/1066772497.db2.gz LFNXWWXPOJLTNP-UHFFFAOYSA-N 0 0 497.669 4.545 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492658290 1066772546 /nfs/dbraw/zinc/77/25/46/1066772546.db2.gz PWWNJBYLUAMLBF-ZDUSSCGKSA-N 0 0 494.434 4.972 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)n(C)n2)c1 ZINC001447098178 1066772591 /nfs/dbraw/zinc/77/25/91/1066772591.db2.gz HHPBTCWXXSYWJL-UHFFFAOYSA-N 0 0 458.209 4.667 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CSCCS2)CCO1 ZINC001546087250 1066772537 /nfs/dbraw/zinc/77/25/37/1066772537.db2.gz IVRJBWOXMVDWOP-CYFREDJKSA-N 0 0 492.711 4.595 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492658288 1066772620 /nfs/dbraw/zinc/77/26/20/1066772620.db2.gz PWWNJBYLUAMLBF-CYBMUJFWSA-N 0 0 494.434 4.972 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545992698 1066773229 /nfs/dbraw/zinc/77/32/29/1066773229.db2.gz MACMMGKROUIYJF-KAWPREARSA-N 0 0 485.629 4.720 20 0 JJADRN O=C([C@@H]1CC[C@H](Cc2ccccc2)O1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447103249 1066773262 /nfs/dbraw/zinc/77/32/62/1066773262.db2.gz BTRIOKSFIJFEGL-NJYVYQBISA-N 0 0 461.343 4.745 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001447100974 1066773288 /nfs/dbraw/zinc/77/32/88/1066773288.db2.gz HEEWSGOUYVNVDZ-YADARESESA-N 0 0 452.595 4.867 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492658654 1066773470 /nfs/dbraw/zinc/77/34/70/1066773470.db2.gz VSFVUJYULIYCGY-UHFFFAOYSA-N 0 0 464.439 4.716 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C12CCCC2 ZINC001457149143 1066773482 /nfs/dbraw/zinc/77/34/82/1066773482.db2.gz ZLFVVKOWPIEVLI-QWHCGFSZSA-N 0 0 451.707 4.551 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccc(Br)n2)CCO1 ZINC001546087589 1066773608 /nfs/dbraw/zinc/77/36/08/1066773608.db2.gz OSPDYWMMGOPUQM-OAQYLSRUSA-N 0 0 494.796 4.949 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)s1 ZINC001492659062 1066774130 /nfs/dbraw/zinc/77/41/30/1066774130.db2.gz OWJYAIHCAXPDPP-UHFFFAOYSA-N 0 0 472.977 4.769 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(F)(F)F)CCO1 ZINC001546087595 1066774239 /nfs/dbraw/zinc/77/42/39/1066774239.db2.gz PAPSKKKZHKGGEV-OAQYLSRUSA-N 0 0 450.461 4.685 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492659152 1066774820 /nfs/dbraw/zinc/77/48/20/1066774820.db2.gz SEBXVXLDFNMCHU-UHFFFAOYSA-N 0 0 455.481 4.904 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447110817 1066774911 /nfs/dbraw/zinc/77/49/11/1066774911.db2.gz MNNZCFRKVBWKFF-QGZVFWFLSA-N 0 0 455.723 4.996 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546087742 1066775160 /nfs/dbraw/zinc/77/51/60/1066775160.db2.gz SCNNLNMVLJYGKF-DQEYMECFSA-N 0 0 477.049 4.944 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC(C)C)CCO1 ZINC001546087733 1066775244 /nfs/dbraw/zinc/77/52/44/1066775244.db2.gz SADCOQDKHPDKBM-QHCPKHFHSA-N 0 0 495.462 4.927 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492659291 1066775201 /nfs/dbraw/zinc/77/52/01/1066775201.db2.gz WNQJHOATBCGUDK-CQSZACIVSA-N 0 0 451.518 4.914 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492659290 1066775231 /nfs/dbraw/zinc/77/52/31/1066775231.db2.gz WNQJHOATBCGUDK-AWEZNQCLSA-N 0 0 451.518 4.914 20 0 JJADRN C[C@@H](C(=O)NCC1(c2ccccc2Cl)CCCCC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001447113017 1066775581 /nfs/dbraw/zinc/77/55/81/1066775581.db2.gz ZJYGQTVJZBOGGJ-XLIONFOSSA-N 0 0 453.023 4.522 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)CCO1 ZINC001546087804 1066775765 /nfs/dbraw/zinc/77/57/65/1066775765.db2.gz UGEUUNFKJBUPCD-HOOSLVGPSA-N 0 0 463.022 4.818 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545992833 1066776312 /nfs/dbraw/zinc/77/63/12/1066776312.db2.gz NVEDOGBVUUZJSM-NQIIRXRSSA-N 0 0 473.618 4.576 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)nc2)cc1 ZINC001447126381 1066776679 /nfs/dbraw/zinc/77/66/79/1066776679.db2.gz GXAJLSCOGLKDGU-JOCHJYFZSA-N 0 0 456.445 4.698 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492659947 1066776904 /nfs/dbraw/zinc/77/69/04/1066776904.db2.gz FIZGUWNKVLKFFT-KBPBESRZSA-N 0 0 464.060 4.962 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccnn2-c2ccccc2)c1)c1ccc(Br)o1 ZINC001457162542 1066776843 /nfs/dbraw/zinc/77/68/43/1066776843.db2.gz NGOBCLNCMSSDLA-UHFFFAOYSA-N 0 0 451.280 4.732 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC001457161962 1066776896 /nfs/dbraw/zinc/77/68/96/1066776896.db2.gz JOBGCJAXZMTWCJ-NVXWUHKLSA-N 0 0 451.350 4.852 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)Oc1ccc(F)cc1 ZINC001447133356 1066777297 /nfs/dbraw/zinc/77/72/97/1066777297.db2.gz FBFDIDCPDJAMNX-ACSPXDACSA-N 0 0 459.926 4.818 20 0 JJADRN Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1NC(=O)c1ccco1 ZINC001447138184 1066777446 /nfs/dbraw/zinc/77/74/46/1066777446.db2.gz WUGQRQWTTYYFSY-NRFANRHFSA-N 0 0 456.445 4.655 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(COC)CCC2)CCO1 ZINC001546087940 1066777563 /nfs/dbraw/zinc/77/75/63/1066777563.db2.gz WRCJZHVYZOMMAC-HSZRJFAPSA-N 0 0 463.022 4.819 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCOC)CCO1 ZINC001546087962 1066777615 /nfs/dbraw/zinc/77/76/15/1066777615.db2.gz XNATYNNBUUUNSF-NRFANRHFSA-N 0 0 469.399 4.669 20 0 JJADRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(I)cc1F ZINC001457165976 1066777937 /nfs/dbraw/zinc/77/79/37/1066777937.db2.gz UMTOFOPYLUPHJQ-LBPRGKRZSA-N 0 0 452.050 4.601 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC001492660582 1066778196 /nfs/dbraw/zinc/77/81/96/1066778196.db2.gz XGCVLTIYWOUGLV-UHFFFAOYSA-N 0 0 487.073 4.604 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccc3C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492660663 1066778206 /nfs/dbraw/zinc/77/82/06/1066778206.db2.gz YUNTXARRDHATRL-NRFANRHFSA-N 0 0 496.681 4.792 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cs1 ZINC001457169202 1066778236 /nfs/dbraw/zinc/77/82/36/1066778236.db2.gz USIREIGPTALHIX-UHFFFAOYSA-N 0 0 454.571 4.674 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545993211 1066778519 /nfs/dbraw/zinc/77/85/19/1066778519.db2.gz TVLAPQSDHHFGFV-YXTQBTIXSA-N 0 0 485.629 4.719 20 0 JJADRN CC(C)COc1ccc([C@@H](C)OC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001457169162 1066778515 /nfs/dbraw/zinc/77/85/15/1066778515.db2.gz URCGSLULCKEVFE-HXUWFJFHSA-N 0 0 459.608 4.743 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2=O)cc1 ZINC001457168386 1066778562 /nfs/dbraw/zinc/77/85/62/1066778562.db2.gz KWTOPVDTJBGWSX-QGZVFWFLSA-N 0 0 451.910 4.523 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC001447158174 1066778733 /nfs/dbraw/zinc/77/87/33/1066778733.db2.gz HJALRSAJCPKMSQ-FYSMJZIKSA-N 0 0 459.546 4.988 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CCCc2csc3ccccc23)cc1F ZINC001457170636 1066779120 /nfs/dbraw/zinc/77/91/20/1066779120.db2.gz IDTWIFGILFSSTG-OAHLLOKOSA-N 0 0 456.539 4.683 20 0 JJADRN CN1CCCC[C@@H](C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)C1=O ZINC001447162733 1066779073 /nfs/dbraw/zinc/77/90/73/1066779073.db2.gz WFMHOBRFEUBDSQ-AWEZNQCLSA-N 0 0 452.299 4.668 20 0 JJADRN CC(C)(C(=O)NCCOc1ccc(Br)cc1C(F)(F)F)C1CCC(O)CC1 ZINC001447164368 1066779123 /nfs/dbraw/zinc/77/91/23/1066779123.db2.gz HRUMOJMIENLJDH-UHFFFAOYSA-N 0 0 452.311 4.540 20 0 JJADRN O=C(CCOC[C@H]1CCCO1)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC001447160514 1066779301 /nfs/dbraw/zinc/77/93/01/1066779301.db2.gz NAZXQJFJSJMFQG-OAHLLOKOSA-N 0 0 455.299 4.995 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3c(Cl)cccc3Br)n2)c1 ZINC001457169953 1066779235 /nfs/dbraw/zinc/77/92/35/1066779235.db2.gz FVOXZZBNWIJQSU-LLVKDONJSA-N 0 0 450.720 4.581 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC001457171023 1066779725 /nfs/dbraw/zinc/77/97/25/1066779725.db2.gz JQPICVTWLBFUFR-CYBMUJFWSA-N 0 0 451.404 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2Cc2c(C)nn(C)c2C)cs1 ZINC001492661084 1066779709 /nfs/dbraw/zinc/77/97/09/1066779709.db2.gz CRKNMSIQVFDAEI-AWEZNQCLSA-N 0 0 471.581 4.508 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CCc2c(C)noc2C)cs1 ZINC001492661105 1066779728 /nfs/dbraw/zinc/77/97/28/1066779728.db2.gz CXDMYBRYGKVYOT-MRXNPFEDSA-N 0 0 480.638 4.644 20 0 JJADRN COc1cc(Br)cc(NC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)c1 ZINC001447168147 1066779730 /nfs/dbraw/zinc/77/97/30/1066779730.db2.gz WSWFYJMIMKFRQI-SNVBAGLBSA-N 0 0 456.362 4.752 20 0 JJADRN COc1cc(Br)cc(NC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)c1 ZINC001447168141 1066779774 /nfs/dbraw/zinc/77/97/74/1066779774.db2.gz WSWFYJMIMKFRQI-JTQLQIEISA-N 0 0 456.362 4.752 20 0 JJADRN COc1c(N)c(C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc(Cl)c1Br ZINC001447167685 1066779807 /nfs/dbraw/zinc/77/98/07/1066779807.db2.gz HXQNZYLCYOASAF-UHFFFAOYSA-N 0 0 451.699 4.736 20 0 JJADRN COc1ccnc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 ZINC001447171642 1066780401 /nfs/dbraw/zinc/78/04/01/1066780401.db2.gz SKKQDQVABJAYAG-UHFFFAOYSA-N 0 0 453.564 4.749 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2(O)CCCCC2)cs1 ZINC001492661534 1066780868 /nfs/dbraw/zinc/78/08/68/1066780868.db2.gz JXSZEEXBOAPSGZ-OAHLLOKOSA-N 0 0 461.582 4.805 20 0 JJADRN Cc1cccc2cc(C(=O)N(CC(=O)OC(C)(C)C)c3ccc4c(c3)OCO4)c(Cl)nc12 ZINC001457180357 1066781202 /nfs/dbraw/zinc/78/12/02/1066781202.db2.gz XJTHYIGUQIILBN-UHFFFAOYSA-N 0 0 454.910 4.914 20 0 JJADRN COc1ccccc1-c1[nH]nc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1C ZINC001457181561 1066781251 /nfs/dbraw/zinc/78/12/51/1066781251.db2.gz WXVLMPSAIMTWPQ-IBGZPJMESA-N 0 0 454.958 4.830 20 0 JJADRN COc1ccccc1-c1[nH]nc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC001457180755 1066781264 /nfs/dbraw/zinc/78/12/64/1066781264.db2.gz RMFMRVTYBMXTIC-UHFFFAOYSA-N 0 0 459.472 4.663 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1cc2cc(Br)ccc2s1 ZINC001447194774 1066781734 /nfs/dbraw/zinc/78/17/34/1066781734.db2.gz FKULQKGNIRJMAS-QGZVFWFLSA-N 0 0 459.365 4.513 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CCc2cccs2)cs1 ZINC001492662667 1066782234 /nfs/dbraw/zinc/78/22/34/1066782234.db2.gz WTQOYJCMFAWEKA-FTDQSSOUSA-N 0 0 485.704 4.873 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)c1 ZINC001457186618 1066782288 /nfs/dbraw/zinc/78/22/88/1066782288.db2.gz CYYUVDKOMIVDNG-SJDLMVEWSA-N 0 0 451.166 4.828 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)sc2C)cc1 ZINC001447205839 1066782420 /nfs/dbraw/zinc/78/24/20/1066782420.db2.gz OHGLFJIOOIAJLD-HXUWFJFHSA-N 0 0 450.560 4.581 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@H](CO)c2ccccc2)c1=S ZINC001447207557 1066782819 /nfs/dbraw/zinc/78/28/19/1066782819.db2.gz DPAVNXXSDPWYBU-HXUWFJFHSA-N 0 0 459.015 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC001457191653 1066783324 /nfs/dbraw/zinc/78/33/24/1066783324.db2.gz DLGGHMNOYIVNFQ-KRWDZBQOSA-N 0 0 454.571 4.771 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001447227902 1066783336 /nfs/dbraw/zinc/78/33/36/1066783336.db2.gz JJMHBEHTZOFEMB-XMMPIXPASA-N 0 0 453.542 4.834 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001457191818 1066783424 /nfs/dbraw/zinc/78/34/24/1066783424.db2.gz NDBNVIBNINZVIA-CDHAZOANSA-N 0 0 458.205 4.645 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)nc1Br ZINC001447215998 1066783439 /nfs/dbraw/zinc/78/34/39/1066783439.db2.gz FBIHQEWYLYQQCY-UHFFFAOYSA-N 0 0 451.280 4.841 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC001447230743 1066783835 /nfs/dbraw/zinc/78/38/35/1066783835.db2.gz FLBKNRNEZQLMDJ-YWWLGCSWSA-N 0 0 450.579 4.625 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)O[C@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c1 ZINC001457191878 1066783872 /nfs/dbraw/zinc/78/38/72/1066783872.db2.gz NRJNYNBYXBGVAF-ORAYPTAESA-N 0 0 457.832 4.557 20 0 JJADRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001447230976 1066783908 /nfs/dbraw/zinc/78/39/08/1066783908.db2.gz HHVMSFBNGMHSPD-UUOWRZLLSA-N 0 0 450.579 4.625 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC001447230737 1066784007 /nfs/dbraw/zinc/78/40/07/1066784007.db2.gz FLBKNRNEZQLMDJ-XYHYBEPMSA-N 0 0 450.579 4.625 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001447235962 1066784524 /nfs/dbraw/zinc/78/45/24/1066784524.db2.gz ZDNZSBQPOGUZES-HSZRJFAPSA-N 0 0 453.542 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC001457195294 1066784884 /nfs/dbraw/zinc/78/48/84/1066784884.db2.gz LRQYIJYXZNNJJU-CQSZACIVSA-N 0 0 455.386 4.798 20 0 JJADRN O=C(N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)C1(c2cccc(Br)c2)CC1 ZINC001447252260 1066784944 /nfs/dbraw/zinc/78/49/44/1066784944.db2.gz OTAGCVYFPYRWSZ-SFHVURJKSA-N 0 0 452.295 4.682 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252322 1066785049 /nfs/dbraw/zinc/78/50/49/1066785049.db2.gz QADATICROQGCLS-LMMKCTJWSA-N 0 0 457.395 4.890 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252281 1066785067 /nfs/dbraw/zinc/78/50/67/1066785067.db2.gz PAGVYSUSBNVDRA-QGZVFWFLSA-N 0 0 458.274 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)cs1 ZINC001492664725 1066785410 /nfs/dbraw/zinc/78/54/10/1066785410.db2.gz PAVCYAVMXRVWKL-UHFFFAOYSA-N 0 0 468.549 4.609 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H](C)Oc2cccc(F)c2)cs1 ZINC001492665027 1066785425 /nfs/dbraw/zinc/78/54/25/1066785425.db2.gz UWCBDQDXGRNBQO-HZPDHXFCSA-N 0 0 486.642 4.937 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993981 1066786070 /nfs/dbraw/zinc/78/60/70/1066786070.db2.gz KCRPPQQSIRVIPU-DYESRHJHSA-N 0 0 452.624 4.717 20 0 JJADRN C[C@@H](NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1OC(F)F ZINC001447269148 1066786153 /nfs/dbraw/zinc/78/61/53/1066786153.db2.gz PKKOCIGWVNCGJI-GFCCVEGCSA-N 0 0 451.470 4.577 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC001447268649 1066786179 /nfs/dbraw/zinc/78/61/79/1066786179.db2.gz OBPXQANIVOZKRI-CYBMUJFWSA-N 0 0 450.486 4.550 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)C1CC(O)(CCC(C)(C)C)C1)c1ccc(Br)cc1 ZINC001447268347 1066786276 /nfs/dbraw/zinc/78/62/76/1066786276.db2.gz UMLYKLULHSOQFG-OJCRERRGSA-N 0 0 454.405 4.527 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CCOC[C@@H]2C)cs1 ZINC001492665210 1066786213 /nfs/dbraw/zinc/78/62/13/1066786213.db2.gz AMRSRHUIEVEVQI-MAUKXSAKSA-N 0 0 479.572 4.962 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993984 1066786394 /nfs/dbraw/zinc/78/63/94/1066786394.db2.gz KCRPPQQSIRVIPU-UWJYYQICSA-N 0 0 452.624 4.717 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492665386 1066786814 /nfs/dbraw/zinc/78/68/14/1066786814.db2.gz GYKPYDVZGOTHKQ-XMSQKQJNSA-N 0 0 454.644 4.507 20 0 JJADRN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC001447276214 1066786924 /nfs/dbraw/zinc/78/69/24/1066786924.db2.gz UWEPFBMROAOJTD-ZJSXRUAMSA-N 0 0 458.599 4.714 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001457200555 1066787132 /nfs/dbraw/zinc/78/71/32/1066787132.db2.gz ODQJOEXZUMXTGT-IBGZPJMESA-N 0 0 459.384 4.661 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC001457200826 1066787334 /nfs/dbraw/zinc/78/73/34/1066787334.db2.gz RBKHMLKHTUXJHQ-UHFFFAOYSA-N 0 0 459.333 4.624 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC001447277335 1066787225 /nfs/dbraw/zinc/78/72/25/1066787225.db2.gz LQEHQRUEMFKLIE-MRXNPFEDSA-N 0 0 451.380 4.988 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2Cc2ncccc2C)cs1 ZINC001492665634 1066787389 /nfs/dbraw/zinc/78/73/89/1066787389.db2.gz PWHRWVJHZVHBMG-UHFFFAOYSA-N 0 0 470.549 4.623 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)nc1 ZINC001447277590 1066787360 /nfs/dbraw/zinc/78/73/60/1066787360.db2.gz OUTWRSFUZKHZRH-UHFFFAOYSA-N 0 0 459.315 4.719 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457201796 1066787791 /nfs/dbraw/zinc/78/77/91/1066787791.db2.gz SAMRHBVRHSYFMV-LEWJYISDSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1ccoc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Br)c1 ZINC001492665738 1066787701 /nfs/dbraw/zinc/78/77/01/1066787701.db2.gz UESDROPEBBCIHE-UHFFFAOYSA-N 0 0 472.412 4.982 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N[C@@H](C)c3nnc(C(C)C)[nH]3)c12 ZINC001447286268 1066788176 /nfs/dbraw/zinc/78/81/76/1066788176.db2.gz MAPHQJXYIGQMGS-LBPRGKRZSA-N 0 0 458.444 4.950 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001447283323 1066788303 /nfs/dbraw/zinc/78/83/03/1066788303.db2.gz HWAJRZUZPUMPFU-UHFFFAOYSA-N 0 0 459.974 4.640 20 0 JJADRN O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC001447291281 1066788656 /nfs/dbraw/zinc/78/86/56/1066788656.db2.gz JTCJJACQASUEEY-UHFFFAOYSA-N 0 0 453.336 4.799 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@H]2CCCCO2)cs1 ZINC001492665965 1066788860 /nfs/dbraw/zinc/78/88/60/1066788860.db2.gz CXSKIDJOOACFLV-QGZVFWFLSA-N 0 0 483.535 4.997 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001447298573 1066788848 /nfs/dbraw/zinc/78/88/48/1066788848.db2.gz FEKFOCKELSXFEY-JOCHJYFZSA-N 0 0 450.579 4.983 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC001447300446 1066788999 /nfs/dbraw/zinc/78/89/99/1066788999.db2.gz CFYNYINSZXNAHK-HSZRJFAPSA-N 0 0 459.464 4.899 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cnn(-c3cccc(C)c3)c2C)c1 ZINC001447310373 1066789729 /nfs/dbraw/zinc/78/97/29/1066789729.db2.gz LOXNBEAOEPVDDV-MHZLTWQESA-N 0 0 455.558 4.874 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)c1ccco1 ZINC001457207217 1066789799 /nfs/dbraw/zinc/78/97/99/1066789799.db2.gz IQCUBZAPODUCFL-LJQANCHMSA-N 0 0 457.324 4.720 20 0 JJADRN COC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)c1ccco1 ZINC001457207215 1066789827 /nfs/dbraw/zinc/78/98/27/1066789827.db2.gz IQCUBZAPODUCFL-IBGZPJMESA-N 0 0 457.324 4.720 20 0 JJADRN Nc1ccc(I)cc1C(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC001447305780 1066790067 /nfs/dbraw/zinc/79/00/67/1066790067.db2.gz PHFPIZYCXXSSJB-UHFFFAOYSA-N 0 0 456.274 4.741 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCC(C)(C)C2=CCOCC2)cc1OCC ZINC001457208233 1066790390 /nfs/dbraw/zinc/79/03/90/1066790390.db2.gz SYQLGYKLINVICC-UHFFFAOYSA-N 0 0 451.563 4.818 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2Cc2ccc(Cl)nc2)cs1 ZINC001492666187 1066790410 /nfs/dbraw/zinc/79/04/10/1066790410.db2.gz KNEHAUVXDHVADE-UHFFFAOYSA-N 0 0 460.941 4.645 20 0 JJADRN O=C(c1ccc(=O)[nH]c1)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447315022 1066790431 /nfs/dbraw/zinc/79/04/31/1066790431.db2.gz OVOJGZNXNWSVSW-SANMLTNESA-N 0 0 454.526 4.742 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492666274 1066790822 /nfs/dbraw/zinc/79/08/22/1066790822.db2.gz NRGZPJVMMPYLIK-SCAQPMJSSA-N 0 0 461.035 4.522 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CCc2cccnc2)cs1 ZINC001492666335 1066790865 /nfs/dbraw/zinc/79/08/65/1066790865.db2.gz PYUDTJAKQUPBNO-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN C[C@H](CC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447315205 1066790891 /nfs/dbraw/zinc/79/08/91/1066790891.db2.gz WBMBADWEAOGXDH-TZIWHRDSSA-N 0 0 454.615 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001447317388 1066791027 /nfs/dbraw/zinc/79/10/27/1066791027.db2.gz ZMSKRHDQICTVCH-QPTUXGOLSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2C[C@H]2CCO[C@H](C)C2)cs1 ZINC001492666437 1066791360 /nfs/dbraw/zinc/79/13/60/1066791360.db2.gz UBXOIWQVRUOULV-ZBFHGGJFSA-N 0 0 464.010 4.878 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC2(O)CCCCC2)cs1 ZINC001492666423 1066791478 /nfs/dbraw/zinc/79/14/78/1066791478.db2.gz STKJGSNERWQKID-UHFFFAOYSA-N 0 0 464.010 4.758 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)Oc1cccc(F)c1 ZINC001545994476 1066791516 /nfs/dbraw/zinc/79/15/16/1066791516.db2.gz ABPUMPVWJMMCCX-GMAHTHKFSA-N 0 0 484.620 4.658 20 0 JJADRN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001447320510 1066791968 /nfs/dbraw/zinc/79/19/68/1066791968.db2.gz LBJBJWBPDGOTNS-MRXNPFEDSA-N 0 0 459.493 4.607 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccccc1Br ZINC001457213130 1066792072 /nfs/dbraw/zinc/79/20/72/1066792072.db2.gz DEFDWEKSEFCVOK-FQEVSTJZSA-N 0 0 455.308 4.667 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@@](C)(O)c2ccccc2Cl)cs1 ZINC001492666500 1066792029 /nfs/dbraw/zinc/79/20/29/1066792029.db2.gz WKGLQJKXKRUBFT-JOCHJYFZSA-N 0 0 489.070 4.596 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC[C@@H](C)c2ccccc21 ZINC001457217657 1066792435 /nfs/dbraw/zinc/79/24/35/1066792435.db2.gz HLJPLKRZBHPNGW-FATZIPQQSA-N 0 0 455.352 4.555 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1cccc(Cl)n1 ZINC001457217702 1066792611 /nfs/dbraw/zinc/79/26/11/1066792611.db2.gz NBHYECCCDLWNRX-UHFFFAOYSA-N 0 0 457.893 4.992 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)CC[C@H](C)c2ccccc21 ZINC001457218977 1066793133 /nfs/dbraw/zinc/79/31/33/1066793133.db2.gz IYCHNHDQPNPLCN-LFVRLGFBSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2sccc2Br)s1 ZINC001492666885 1066793055 /nfs/dbraw/zinc/79/30/55/1066793055.db2.gz LFKJIZPDVKABAM-UHFFFAOYSA-N 0 0 495.497 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492667326 1066793636 /nfs/dbraw/zinc/79/36/36/1066793636.db2.gz CAXMWDNTORRCFX-PXNSSMCTSA-N 0 0 457.669 4.820 20 0 JJADRN CCCc1nc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)nn1-c1ccccc1F ZINC001457223010 1066793520 /nfs/dbraw/zinc/79/35/20/1066793520.db2.gz MBHINBGHRWWGMU-UHFFFAOYSA-N 0 0 453.518 4.636 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3sc(C)cc3OCc3ccccc3)C2)c1 ZINC001457222593 1066793635 /nfs/dbraw/zinc/79/36/35/1066793635.db2.gz JDESKUPJOZXUHB-LJQANCHMSA-N 0 0 452.576 4.661 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C(C)C)cc1 ZINC001447327447 1066793667 /nfs/dbraw/zinc/79/36/67/1066793667.db2.gz NWQAVFWHJHJOLP-CPJSRVTESA-N 0 0 450.604 4.842 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001457226491 1066794014 /nfs/dbraw/zinc/79/40/14/1066794014.db2.gz XYVBEQAFHCFRLH-CQSZACIVSA-N 0 0 453.461 4.997 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329614 1066794057 /nfs/dbraw/zinc/79/40/57/1066794057.db2.gz HIGQJJRSACHWST-JQVVWYNYSA-N 0 0 453.583 4.987 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492667645 1066794442 /nfs/dbraw/zinc/79/44/42/1066794442.db2.gz LDECWMOGBNABKH-IBGZPJMESA-N 0 0 464.680 4.665 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cccc(Nc2ncccn2)c1 ZINC001447333254 1066794477 /nfs/dbraw/zinc/79/44/77/1066794477.db2.gz FWDAEXJAFIWPQQ-UHFFFAOYSA-N 0 0 451.246 4.932 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1[nH]nc2nc(C(F)(F)F)ccc21 ZINC001457226084 1066794625 /nfs/dbraw/zinc/79/46/25/1066794625.db2.gz SIRCWRZQAUKSFR-UHFFFAOYSA-N 0 0 451.405 4.712 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)CC[C@@H](C)c2ccccc21 ZINC001457230313 1066794991 /nfs/dbraw/zinc/79/49/91/1066794991.db2.gz RWZQBZAFFXIFBY-JCQPUDPBSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[C@@H](C)c2ccccc2)cs1 ZINC001492667955 1066795017 /nfs/dbraw/zinc/79/50/17/1066795017.db2.gz UJKRWSPFHMJDMV-GOSISDBHSA-N 0 0 469.655 4.663 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492667976 1066795026 /nfs/dbraw/zinc/79/50/26/1066795026.db2.gz UWUYMAYLKHEYNW-JOCHJYFZSA-N 0 0 483.682 4.860 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447335573 1066795443 /nfs/dbraw/zinc/79/54/43/1066795443.db2.gz VKNFNNNIXDBHRM-KSSFIOAISA-N 0 0 457.384 4.673 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447335566 1066795495 /nfs/dbraw/zinc/79/54/95/1066795495.db2.gz VKNFNNNIXDBHRM-KDOFPFPSSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)cs1 ZINC001492668096 1066795335 /nfs/dbraw/zinc/79/53/35/1066795335.db2.gz YNHGNZFZWXEQOJ-BEFAXECRSA-N 0 0 494.434 4.580 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccccc1 ZINC001457230355 1066795446 /nfs/dbraw/zinc/79/54/46/1066795446.db2.gz KVUDNVPUMHGSSN-BJKOFHAPSA-N 0 0 452.595 4.893 20 0 JJADRN Cc1cc(C(=O)Nc2[nH]nc3nc(C(F)(F)F)ccc32)nn1-c1cccc(C(F)(F)F)c1 ZINC001457230866 1066795491 /nfs/dbraw/zinc/79/54/91/1066795491.db2.gz WGFKKPLSSYZUGR-UHFFFAOYSA-N 0 0 454.334 4.742 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CCc2ccc(Cl)s2)cs1 ZINC001492668221 1066795565 /nfs/dbraw/zinc/79/55/65/1066795565.db2.gz CNQJLOPELZRXOQ-UHFFFAOYSA-N 0 0 465.073 4.727 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccccc1 ZINC001457230370 1066795589 /nfs/dbraw/zinc/79/55/89/1066795589.db2.gz KVUDNVPUMHGSSN-RPWUZVMVSA-N 0 0 452.595 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3cccs3)n2C[C@@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492668243 1066796010 /nfs/dbraw/zinc/79/60/10/1066796010.db2.gz DJSOXTCEECYIBG-HSZRJFAPSA-N 0 0 488.082 4.935 20 0 JJADRN CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c(O)c(C(C)C)c1 ZINC001447336526 1066796070 /nfs/dbraw/zinc/79/60/70/1066796070.db2.gz TUSWHOUFYUYSAF-FQEVSTJZSA-N 0 0 459.384 4.715 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)CCC(C)C)CCO1 ZINC001546089054 1066796045 /nfs/dbraw/zinc/79/60/45/1066796045.db2.gz GVDHAISCBOJNIS-GOTSBHOMSA-N 0 0 479.463 4.900 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)cs2)cc1 ZINC001457236318 1066796560 /nfs/dbraw/zinc/79/65/60/1066796560.db2.gz XOPMXEHCTUOFFJ-XMMPIXPASA-N 0 0 450.604 4.823 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)N1CCC(O)(c2ccccc2)CC1 ZINC001447343017 1066796582 /nfs/dbraw/zinc/79/65/82/1066796582.db2.gz BHMJHNYUSHBOIE-UHFFFAOYSA-N 0 0 457.393 4.625 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001457239851 1066797111 /nfs/dbraw/zinc/79/71/11/1066797111.db2.gz PBFPHTQNTHEMDA-UHFFFAOYSA-N 0 0 452.532 4.539 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccc3)n2Cc2sc(C)nc2C)cs1 ZINC001492668829 1066797344 /nfs/dbraw/zinc/79/73/44/1066797344.db2.gz ZANHFQIVHMNTMC-UHFFFAOYSA-N 0 0 452.653 4.824 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)Oc1cccc(F)c1 ZINC001545994918 1066797530 /nfs/dbraw/zinc/79/75/30/1066797530.db2.gz IUYUOQHDFUFQOF-FQEVSTJZSA-N 0 0 486.661 4.955 20 0 JJADRN CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001457243819 1066797657 /nfs/dbraw/zinc/79/76/57/1066797657.db2.gz NZQURHJEPXUIIT-UHFFFAOYSA-N 0 0 454.548 4.577 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001457243437 1066797800 /nfs/dbraw/zinc/79/78/00/1066797800.db2.gz FBZVBAHUYSOKPK-HKBQPEDESA-N 0 0 451.445 4.770 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC001457258044 1066798084 /nfs/dbraw/zinc/79/80/84/1066798084.db2.gz OMFPWTCKIFZGOI-UHFFFAOYSA-N 0 0 457.596 4.720 20 0 JJADRN Cc1oc2ccccc2c1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001447361024 1066798076 /nfs/dbraw/zinc/79/80/76/1066798076.db2.gz QJPQEEQHBBXNEH-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCOc1ccccc1 ZINC001492669517 1066798133 /nfs/dbraw/zinc/79/81/33/1066798133.db2.gz YVTFAXQLSGGGSV-UHFFFAOYSA-N 0 0 451.596 4.797 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001457258093 1066798342 /nfs/dbraw/zinc/79/83/42/1066798342.db2.gz OYXVQHSGXJQJFD-RBUKOAKNSA-N 0 0 456.505 4.794 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H]2CCC[C@H](O)C2)cs1 ZINC001492669590 1066798541 /nfs/dbraw/zinc/79/85/41/1066798541.db2.gz CCHVQDLGMKCPOP-UGKGYDQZSA-N 0 0 457.619 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492669647 1066798564 /nfs/dbraw/zinc/79/85/64/1066798564.db2.gz FPODQZPAHNPYDY-YJBOKZPZSA-N 0 0 457.566 4.669 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@H]2CC(F)(F)CO2)cs1 ZINC001492670049 1066799086 /nfs/dbraw/zinc/79/90/86/1066799086.db2.gz MJCVCJKXLFXWLT-MRXNPFEDSA-N 0 0 453.584 4.535 20 0 JJADRN O=C(NCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1)NCc1ccc(Cl)cc1 ZINC001447364698 1066799257 /nfs/dbraw/zinc/79/92/57/1066799257.db2.gz DXQNGLWYWDWODY-GOSISDBHSA-N 0 0 456.011 4.835 20 0 JJADRN O=C(NCc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1)c1cccs1 ZINC001447364296 1066799290 /nfs/dbraw/zinc/79/92/90/1066799290.db2.gz VVXSOPNIVFPHNJ-XMMPIXPASA-N 0 0 456.567 4.809 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)NC[C@](C)(O)c1ccccc1Cl ZINC001447365904 1066799738 /nfs/dbraw/zinc/79/97/38/1066799738.db2.gz KFSOYTBBPNPUCJ-QHCPKHFHSA-N 0 0 459.951 4.649 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO3)n2CC2CCC(C(F)(F)F)CC2)cs1 ZINC001492670683 1066800104 /nfs/dbraw/zinc/80/01/04/1066800104.db2.gz YZQUKEYBJWDLHW-LEOMRAHMSA-N 0 0 457.566 4.618 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC001447369092 1066800286 /nfs/dbraw/zinc/80/02/86/1066800286.db2.gz MWZNUDHIYDADEM-IBGZPJMESA-N 0 0 456.388 4.836 20 0 JJADRN COc1cccc(C(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c2cccc(OC)c2)c1 ZINC001457268693 1066800317 /nfs/dbraw/zinc/80/03/17/1066800317.db2.gz NZOLFBUBCGNDJP-UHFFFAOYSA-N 0 0 458.558 4.849 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C3CCCC3)n2CCNC(=O)c2ccccc2F)cs1 ZINC001492670536 1066800748 /nfs/dbraw/zinc/80/07/48/1066800748.db2.gz WLMPHJMVEXNSSN-UHFFFAOYSA-N 0 0 484.645 4.608 20 0 JJADRN COc1cccc(C(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c2cccc(OC)c2)c1 ZINC001457270521 1066800704 /nfs/dbraw/zinc/80/07/04/1066800704.db2.gz RJJFNTQGALAMNQ-JTSKRJEESA-N 0 0 454.567 4.555 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc1 ZINC001457269277 1066800743 /nfs/dbraw/zinc/80/07/43/1066800743.db2.gz FPNLISHZHKROMT-MRXNPFEDSA-N 0 0 454.596 4.940 20 0 JJADRN Cc1ccc(SC2(CNC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)CCCC2)cc1 ZINC001457274589 1066801346 /nfs/dbraw/zinc/80/13/46/1066801346.db2.gz DMKHTDYAOYXNCM-RXFWQSSRSA-N 0 0 474.667 4.790 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC001457270874 1066801526 /nfs/dbraw/zinc/80/15/26/1066801526.db2.gz XFSUYQBEJFJDCJ-GOSISDBHSA-N 0 0 456.004 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492671368 1066801873 /nfs/dbraw/zinc/80/18/73/1066801873.db2.gz VMGHJZZRPOYGFR-DLBZAZTESA-N 0 0 462.664 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492671464 1066802055 /nfs/dbraw/zinc/80/20/55/1066802055.db2.gz XIGIHJNJDAPGIF-JLJPHGGASA-N 0 0 457.566 4.931 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492671618 1066802604 /nfs/dbraw/zinc/80/26/04/1066802604.db2.gz ACNWKVJSRJPXIN-HNNXBMFYSA-N 0 0 464.561 4.968 20 0 JJADRN CC[C@@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1cccc(C(F)(F)F)c1 ZINC001457280398 1066802834 /nfs/dbraw/zinc/80/28/34/1066802834.db2.gz SLPYXVKVSRBGKY-GFCCVEGCSA-N 0 0 457.246 4.931 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@H](C)c1cc3ccccc3o1)CCO2 ZINC001457281141 1066803077 /nfs/dbraw/zinc/80/30/77/1066803077.db2.gz ANTCNCVRGFVHJH-CYBMUJFWSA-N 0 0 458.308 4.507 20 0 JJADRN O=C(N[C@@H](CO)Cc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001447398062 1066803308 /nfs/dbraw/zinc/80/33/08/1066803308.db2.gz GLQKYTUJJKTUFI-GOSISDBHSA-N 0 0 458.389 4.781 20 0 JJADRN CC[C@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1cccc(C(F)(F)F)c1 ZINC001457280401 1066803311 /nfs/dbraw/zinc/80/33/11/1066803311.db2.gz SLPYXVKVSRBGKY-LBPRGKRZSA-N 0 0 457.246 4.931 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290857 1066804443 /nfs/dbraw/zinc/80/44/43/1066804443.db2.gz AQTFUTIDEROGEN-BGYRXZFFSA-N 0 0 452.595 4.556 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)nc1C ZINC001457289743 1066804572 /nfs/dbraw/zinc/80/45/72/1066804572.db2.gz JSKAUOQWVSDKCI-UHFFFAOYSA-N 0 0 459.593 4.643 20 0 JJADRN C/C(=C\C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1)c1ccccc1C ZINC001457289312 1066804618 /nfs/dbraw/zinc/80/46/18/1066804618.db2.gz CHNWOQUSONDRPG-HTXNQAPBSA-N 0 0 459.587 4.630 20 0 JJADRN Cc1nc(Cc2nnc(N3Cc4ccoc4CC(C)(C)C3)n2CCOCCC(C)C)cs1 ZINC001492672788 1066804967 /nfs/dbraw/zinc/80/49/67/1066804967.db2.gz YCHXELPAJIEXIM-UHFFFAOYSA-N 0 0 457.644 4.878 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2CCCC(F)(F)F)cs1 ZINC001492672691 1066804996 /nfs/dbraw/zinc/80/49/96/1066804996.db2.gz WUVGZWRMQZTZME-HNAYVOBHSA-N 0 0 465.545 4.943 20 0 JJADRN COc1ccc(CNC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c(OC2CCCC2)c1 ZINC001457291047 1066805035 /nfs/dbraw/zinc/80/50/35/1066805035.db2.gz BSHXWPJWCHNNNB-SFHVURJKSA-N 0 0 456.608 4.702 20 0 JJADRN Cc1c2ccccc2sc1[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC001447409572 1066805279 /nfs/dbraw/zinc/80/52/79/1066805279.db2.gz KIKSFDGJBONHIJ-CQSZACIVSA-N 0 0 455.523 4.966 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492673081 1066805454 /nfs/dbraw/zinc/80/54/54/1066805454.db2.gz LTSCZHKIMWIIEL-FUHWJXTLSA-N 0 0 474.675 4.564 20 0 JJADRN Cn1ccc([C@@H](NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC001447411835 1066805661 /nfs/dbraw/zinc/80/56/61/1066805661.db2.gz KEIMWTMLPXSNSY-QFIPXVFZSA-N 0 0 454.958 4.869 20 0 JJADRN CCCc1c(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)[nH]c(C)c1C(=O)OC ZINC001447409860 1066805774 /nfs/dbraw/zinc/80/57/74/1066805774.db2.gz DVNGZJFIJMDWFE-QGZVFWFLSA-N 0 0 451.592 4.721 20 0 JJADRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001492673335 1066806105 /nfs/dbraw/zinc/80/61/05/1066806105.db2.gz QWOIMQGAEBNNHH-HXUWFJFHSA-N 0 0 485.601 4.582 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC001492673333 1066806174 /nfs/dbraw/zinc/80/61/74/1066806174.db2.gz QWNBVMRQNQQPPI-QGZVFWFLSA-N 0 0 480.560 4.501 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492673406 1066806292 /nfs/dbraw/zinc/80/62/92/1066806292.db2.gz SNPZOOLAROEDKF-INIZCTEOSA-N 0 0 476.691 4.810 20 0 JJADRN Cc1cc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)ncc1Br ZINC001457297888 1066806473 /nfs/dbraw/zinc/80/64/73/1066806473.db2.gz ZTHZAOUMBVQTLT-QGZVFWFLSA-N 0 0 453.178 4.691 20 0 JJADRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001447416102 1066806519 /nfs/dbraw/zinc/80/65/19/1066806519.db2.gz SOWRRAASRYUVQY-RZFNWQHOSA-N 0 0 452.599 4.899 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492673552 1066806658 /nfs/dbraw/zinc/80/66/58/1066806658.db2.gz WKTOKYYDYYNDMZ-CABCVRRESA-N 0 0 464.561 4.773 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)CCCn1cnc3ccccc31)CC2 ZINC001457299358 1066806776 /nfs/dbraw/zinc/80/67/76/1066806776.db2.gz KKPJPPRVYSTLEA-HXUWFJFHSA-N 0 0 454.615 4.750 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(F)cc2I)ccc1NC(=O)CC(C)C ZINC001457314667 1066808052 /nfs/dbraw/zinc/80/80/52/1066808052.db2.gz JRBAVUZSCXLJCA-UHFFFAOYSA-N 0 0 454.283 4.976 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(CC)c(-c3ccccc3)s2)cc(S(C)(=O)=O)c1 ZINC001457314812 1066808130 /nfs/dbraw/zinc/80/81/30/1066808130.db2.gz LHIXFEUVQNTIFS-UHFFFAOYSA-N 0 0 457.573 4.810 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001447428719 1066808184 /nfs/dbraw/zinc/80/81/84/1066808184.db2.gz RMWGNTYIERDRDA-BVAGGSTKSA-N 0 0 458.558 4.899 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC001447430636 1066808744 /nfs/dbraw/zinc/80/87/44/1066808744.db2.gz BDQSRNBCMUSJSN-UZLBHIALSA-N 0 0 450.362 4.930 20 0 JJADRN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457315854 1066808588 /nfs/dbraw/zinc/80/85/88/1066808588.db2.gz MULIAAGQUXHEQY-CABCVRRESA-N 0 0 456.340 4.910 20 0 JJADRN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457315856 1066808710 /nfs/dbraw/zinc/80/87/10/1066808710.db2.gz MULIAAGQUXHEQY-GJZGRUSLSA-N 0 0 456.340 4.910 20 0 JJADRN C[C@@](O)(CNC(=O)c1cnc(-c2ccccc2Br)s1)c1cccc(Cl)c1 ZINC001447431626 1066808778 /nfs/dbraw/zinc/80/87/78/1066808778.db2.gz OOFFQOZUNJZZGH-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492674359 1066809085 /nfs/dbraw/zinc/80/90/85/1066809085.db2.gz RKHJFYKCRYBRHU-STQMWFEESA-N 0 0 451.518 4.657 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001545995852 1066809274 /nfs/dbraw/zinc/80/92/74/1066809274.db2.gz ZOVCRDSHAFVCOY-GOSISDBHSA-N 0 0 476.691 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cs1 ZINC001492674955 1066809678 /nfs/dbraw/zinc/80/96/78/1066809678.db2.gz YNPNTRZVMMBNQH-SFHVURJKSA-N 0 0 494.587 4.891 20 0 JJADRN C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCO[C@@H]1C1CC1 ZINC001447438438 1066809814 /nfs/dbraw/zinc/80/98/14/1066809814.db2.gz RCZASEBDFFYHMP-OFNKIYASSA-N 0 0 457.368 4.636 20 0 JJADRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC001447442178 1066809923 /nfs/dbraw/zinc/80/99/23/1066809923.db2.gz BWVCMSQSVQHRLO-JXFKEZNVSA-N 0 0 456.612 4.876 20 0 JJADRN NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)C1 ZINC001457321672 1066809835 /nfs/dbraw/zinc/80/98/35/1066809835.db2.gz NPQTZVBJEQWSKP-WCQYABFASA-N 0 0 477.797 4.626 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)C3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492675166 1066810294 /nfs/dbraw/zinc/81/02/94/1066810294.db2.gz OYGULXNBDGXXFG-UHFFFAOYSA-N 0 0 473.471 4.621 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCOCc2ccccc2)cs1 ZINC001492675099 1066810326 /nfs/dbraw/zinc/81/03/26/1066810326.db2.gz MUQQIPACIJXNJM-UHFFFAOYSA-N 0 0 464.422 4.750 20 0 JJADRN Cc1ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)cc1Br ZINC001457322632 1066810403 /nfs/dbraw/zinc/81/04/03/1066810403.db2.gz BHLCPVYGFRDXCN-MRXNPFEDSA-N 0 0 456.287 4.635 20 0 JJADRN Cc1ccc2c(CC(=O)Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)coc2c1C ZINC001447446003 1066810456 /nfs/dbraw/zinc/81/04/56/1066810456.db2.gz ODPVPSWSXBWGBZ-UHFFFAOYSA-N 0 0 452.555 4.999 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)NCCNC(=O)OCc1ccccc1 ZINC001457329343 1066810857 /nfs/dbraw/zinc/81/08/57/1066810857.db2.gz RWFPPLDLPSYGTD-UHFFFAOYSA-N 0 0 459.521 4.949 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCCNC(=O)OCc1ccccc1 ZINC001457329744 1066810889 /nfs/dbraw/zinc/81/08/89/1066810889.db2.gz VBJLYYLHWOMBHP-UHFFFAOYSA-N 0 0 452.938 4.504 20 0 JJADRN O=C(NCCNC(=O)C1(c2ccc(Br)cc2)CCCCC1)OCc1ccccc1 ZINC001457330496 1066811511 /nfs/dbraw/zinc/81/15/11/1066811511.db2.gz XOJHMKIBYHTDNP-UHFFFAOYSA-N 0 0 459.384 4.694 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2CCc2cccs2)cs1 ZINC001492676152 1066811959 /nfs/dbraw/zinc/81/19/59/1066811959.db2.gz WNJUAHMJTCEDAW-UHFFFAOYSA-N 0 0 459.685 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001447461196 1066811981 /nfs/dbraw/zinc/81/19/81/1066811981.db2.gz MEXGZTCWTYVIMZ-GOSISDBHSA-N 0 0 455.368 4.653 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCOc2ccccc2C)cs1 ZINC001492676226 1066811982 /nfs/dbraw/zinc/81/19/82/1066811982.db2.gz YYXSECBPDVZAQW-UHFFFAOYSA-N 0 0 469.655 4.805 20 0 JJADRN C[C@](O)(CNC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460518 1066812190 /nfs/dbraw/zinc/81/21/90/1066812190.db2.gz ZGISECWSYHBVMH-AHWVRZQESA-N 0 0 454.973 4.704 20 0 JJADRN C[C@H](C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)n1ccc(C(F)(F)F)n1 ZINC001447462365 1066812204 /nfs/dbraw/zinc/81/22/04/1066812204.db2.gz OEEVUASACVOOGN-CZUORRHYSA-N 0 0 451.424 4.796 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546089526 1066812451 /nfs/dbraw/zinc/81/24/51/1066812451.db2.gz QSEGZPYESZXDRC-XMSQKQJNSA-N 0 0 465.436 4.774 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546089524 1066812482 /nfs/dbraw/zinc/81/24/82/1066812482.db2.gz QSEGZPYESZXDRC-GCJKJVERSA-N 0 0 465.436 4.774 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C/C=C\c2ccccc2)cs1 ZINC001492676298 1066812611 /nfs/dbraw/zinc/81/26/11/1066812611.db2.gz BFILARYSADZWGE-UITAMQMPSA-N 0 0 456.413 4.836 20 0 JJADRN O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447468353 1066812848 /nfs/dbraw/zinc/81/28/48/1066812848.db2.gz YXBCQODPPCMABT-MRXNPFEDSA-N 0 0 450.392 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC001447468192 1066812886 /nfs/dbraw/zinc/81/28/86/1066812886.db2.gz YHNGTZQPMZDTHV-UHFFFAOYSA-N 0 0 455.368 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CC(F)(F)c2ccccc2)cs1 ZINC001492676443 1066813188 /nfs/dbraw/zinc/81/31/88/1066813188.db2.gz FXDNORLKLMMNJK-UHFFFAOYSA-N 0 0 480.382 4.915 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492676416 1066813272 /nfs/dbraw/zinc/81/32/72/1066813272.db2.gz FHHJCUQIZIVWOM-VQTJNVASSA-N 0 0 488.702 4.955 20 0 JJADRN COc1cccc(N(CC(=O)NCC2(c3ccccc3OC)CCC2)C(=O)OC(C)(C)C)c1 ZINC001447478605 1066813477 /nfs/dbraw/zinc/81/34/77/1066813477.db2.gz JUIRXQJZGAKGDY-UHFFFAOYSA-N 0 0 454.567 4.683 20 0 JJADRN CC[C@H](CNC(=O)c1cn(C)nc1-c1cc(F)ccc1F)Oc1ccccc1C(F)(F)F ZINC001457345163 1066814025 /nfs/dbraw/zinc/81/40/25/1066814025.db2.gz RCBVFTMEOPZJNO-CQSZACIVSA-N 0 0 453.411 4.972 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001457345727 1066814118 /nfs/dbraw/zinc/81/41/18/1066814118.db2.gz QRISXWICSKHPQY-SFHVURJKSA-N 0 0 456.011 4.890 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(-c2ccncc2)cc1 ZINC001457345148 1066814240 /nfs/dbraw/zinc/81/42/40/1066814240.db2.gz IFVCWNUFQUTBFD-ARBPTSGCSA-N 0 0 452.352 4.861 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC001447488027 1066814535 /nfs/dbraw/zinc/81/45/35/1066814535.db2.gz RVONNJPZEUSULU-JOCHJYFZSA-N 0 0 450.514 4.942 20 0 JJADRN COc1ccc(Br)c(C(=O)N2C[C@@H](C)Oc3cc(C)c(Br)cc32)c1 ZINC001457352254 1066814564 /nfs/dbraw/zinc/81/45/64/1066814564.db2.gz UVJXJVIGYZJLES-LLVKDONJSA-N 0 0 455.146 4.956 20 0 JJADRN CC[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)Oc1ccccc1C(F)(F)F ZINC001457349351 1066814618 /nfs/dbraw/zinc/81/46/18/1066814618.db2.gz XYKPXMSLQSJRSH-HKUYNNGSSA-N 0 0 456.892 4.900 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CCN1Cc1ccccc1 ZINC001447495447 1066815234 /nfs/dbraw/zinc/81/52/34/1066815234.db2.gz FGFXJSBRCXHGSB-HXUWFJFHSA-N 0 0 456.512 4.936 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4cc(Cl)ccc4C3)n2CCCOC(F)(F)F)cs1 ZINC001492677146 1066815464 /nfs/dbraw/zinc/81/54/64/1066815464.db2.gz WWTYJPSMUWNLKL-UHFFFAOYSA-N 0 0 471.936 4.776 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492677002 1066815510 /nfs/dbraw/zinc/81/55/10/1066815510.db2.gz TWQDFKKTVDETSW-HKUYNNGSSA-N 0 0 476.691 4.762 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4ccc(O)cc4C3)n2CCCSCC(C)C)cs1 ZINC001492677227 1066815940 /nfs/dbraw/zinc/81/59/40/1066815940.db2.gz ZSYIQOYEGMUFNL-UHFFFAOYSA-N 0 0 457.669 4.681 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CCN1Cc1ccccc1 ZINC001447499928 1066815984 /nfs/dbraw/zinc/81/59/84/1066815984.db2.gz OXKUHSAGVRKNKT-IBGZPJMESA-N 0 0 458.484 4.712 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3cccs3)n2CCCOCC(F)F)cs1 ZINC001492677388 1066816060 /nfs/dbraw/zinc/81/60/60/1066816060.db2.gz DYIMPIGJSFQPLC-INIZCTEOSA-N 0 0 453.584 4.709 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)CCCOc1ccc3c(c1)OCO3)CC2 ZINC001457361144 1066816566 /nfs/dbraw/zinc/81/65/66/1066816566.db2.gz IPKKPWCKPACRIB-UHFFFAOYSA-N 0 0 454.523 4.506 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1cc(Br)cn(C)c1=O ZINC001457361452 1066816581 /nfs/dbraw/zinc/81/65/81/1066816581.db2.gz QMTIRWVXILCKMW-UHFFFAOYSA-N 0 0 457.111 4.670 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457361635 1066816651 /nfs/dbraw/zinc/81/66/51/1066816651.db2.gz KGXKEZKFIHZSFM-HOYKHHGWSA-N 0 0 451.007 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)cs1 ZINC001492677758 1066816806 /nfs/dbraw/zinc/81/68/06/1066816806.db2.gz MFUAAFXUNDYKNB-CQSZACIVSA-N 0 0 465.549 4.539 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)cs1 ZINC001492677739 1066816823 /nfs/dbraw/zinc/81/68/23/1066816823.db2.gz LRVVEMDCONILIP-UHFFFAOYSA-N 0 0 467.643 4.546 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492677773 1066817153 /nfs/dbraw/zinc/81/71/53/1066817153.db2.gz MQNWZMKCQRWDLS-QUCCMNQESA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3ccco3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492677974 1066817234 /nfs/dbraw/zinc/81/72/34/1066817234.db2.gz OXJITZIHVIHQCR-VQIMIIECSA-N 0 0 486.642 4.729 20 0 JJADRN Cn1c(CCNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)nnc1-c1ccccc1 ZINC001447524346 1066818461 /nfs/dbraw/zinc/81/84/61/1066818461.db2.gz NHFURRZMVXDJIH-UHFFFAOYSA-N 0 0 454.502 4.785 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492678448 1066818672 /nfs/dbraw/zinc/81/86/72/1066818672.db2.gz XUEYTIIIDNGUOP-IQGLISFBSA-N 0 0 486.686 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492678468 1066818903 /nfs/dbraw/zinc/81/89/03/1066818903.db2.gz YCOVUTPNVIPJQW-GOSISDBHSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2ccc(Cl)cc2)cs1 ZINC001492678824 1066819369 /nfs/dbraw/zinc/81/93/69/1066819369.db2.gz OVDKHPNUVDXHMG-SFHVURJKSA-N 0 0 485.963 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCOc2ccccc2)cs1 ZINC001492678689 1066819411 /nfs/dbraw/zinc/81/94/11/1066819411.db2.gz MLQDAHWJYOUENO-QFIPXVFZSA-N 0 0 469.655 4.887 20 0 JJADRN Cn1nccc1CCC(=O)Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl ZINC001457380758 1066819469 /nfs/dbraw/zinc/81/94/69/1066819469.db2.gz DJYDSCZYYLDIPH-UHFFFAOYSA-N 0 0 458.747 4.951 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3nc(-c4cc(C)c(F)cc4F)cs3)CC2=O)cc1 ZINC001457380783 1066819588 /nfs/dbraw/zinc/81/95/88/1066819588.db2.gz DRXCGUWZJGKELJ-CQSZACIVSA-N 0 0 457.502 4.787 20 0 JJADRN CCCNc1ccccc1NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001447537834 1066819626 /nfs/dbraw/zinc/81/96/26/1066819626.db2.gz QAYUUSNJXQXZAA-UHFFFAOYSA-N 0 0 455.605 4.569 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001447534346 1066819698 /nfs/dbraw/zinc/81/96/98/1066819698.db2.gz ROJODVFKZMBYPJ-OKILXGFUSA-N 0 0 458.340 4.622 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545997082 1066819749 /nfs/dbraw/zinc/81/97/49/1066819749.db2.gz JIRNTOXASYLELY-NNWRFLSQSA-N 0 0 453.631 4.859 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H](C)c2ccccc2)cs1 ZINC001492678956 1066820030 /nfs/dbraw/zinc/82/00/30/1066820030.db2.gz QZHSMXNPBOWEJF-UZLBHIALSA-N 0 0 479.572 4.985 20 0 JJADRN O=C(OCc1cc(F)cc(Br)c1)c1ccn(-c2cccc(Br)c2)n1 ZINC001457389300 1066820119 /nfs/dbraw/zinc/82/01/19/1066820119.db2.gz SGGYYOJLLORYAL-UHFFFAOYSA-N 0 0 454.093 4.893 20 0 JJADRN COC(=O)[C@H]1CCCCCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001447540970 1066820153 /nfs/dbraw/zinc/82/01/53/1066820153.db2.gz UZMCQAWRXQVPQX-JOCHJYFZSA-N 0 0 454.954 4.932 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NCCCCNC(=O)OC(C)(C)C)OCC3 ZINC001447550060 1066820206 /nfs/dbraw/zinc/82/02/06/1066820206.db2.gz GAYJQEHJZGLNAG-SANMLTNESA-N 0 0 457.615 4.720 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)C1(F)F ZINC001447549854 1066820219 /nfs/dbraw/zinc/82/02/19/1066820219.db2.gz DMJRKBJJEWVLFB-BRWVUGGUSA-N 0 0 458.427 4.965 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(F)(F)F ZINC001457390657 1066820615 /nfs/dbraw/zinc/82/06/15/1066820615.db2.gz UOTKRQUOIITSCS-LJQANCHMSA-N 0 0 459.859 4.960 20 0 JJADRN CC(=O)NCCN(C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC001447554770 1066820962 /nfs/dbraw/zinc/82/09/62/1066820962.db2.gz SPMRICHQNPDGOG-QGZVFWFLSA-N 0 0 456.583 4.553 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC001457391783 1066820886 /nfs/dbraw/zinc/82/08/86/1066820886.db2.gz XCULVPSFQOKLLZ-INIZCTEOSA-N 0 0 456.530 4.660 20 0 JJADRN C[C@H](CCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001457392744 1066821383 /nfs/dbraw/zinc/82/13/83/1066821383.db2.gz ZCPOGORWTLIZJC-OAHLLOKOSA-N 0 0 456.530 4.706 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC001457393482 1066821390 /nfs/dbraw/zinc/82/13/90/1066821390.db2.gz HXMVDOUMWSBKSD-GFCCVEGCSA-N 0 0 457.162 4.726 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492679156 1066821393 /nfs/dbraw/zinc/82/13/93/1066821393.db2.gz WDZMZQXFZTUPLP-GOSISDBHSA-N 0 0 480.560 4.641 20 0 JJADRN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001447557424 1066821394 /nfs/dbraw/zinc/82/13/94/1066821394.db2.gz GHNCMHXAYNLAAQ-GOSISDBHSA-N 0 0 459.167 4.859 20 0 JJADRN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001447557325 1066821506 /nfs/dbraw/zinc/82/15/06/1066821506.db2.gz WTEHESOZTBOGRE-KRWDZBQOSA-N 0 0 456.251 4.691 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2CCCC(C)(C)C)cs1 ZINC001492679548 1066821957 /nfs/dbraw/zinc/82/19/57/1066821957.db2.gz ICIBVXMRDSEMHK-UHFFFAOYSA-N 0 0 484.645 4.562 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C[C@@H](O)C(F)(F)F)cs2)cc1 ZINC001447560026 1066821982 /nfs/dbraw/zinc/82/19/82/1066821982.db2.gz DRUOMYLUNLQRLJ-LJQANCHMSA-N 0 0 450.482 4.774 20 0 JJADRN CC(=O)Nc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Br)cc(C(F)(F)F)c1 ZINC001457396520 1066822121 /nfs/dbraw/zinc/82/21/21/1066822121.db2.gz XWVLJFAMIDWKFT-LLVKDONJSA-N 0 0 459.262 4.624 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001447564391 1066822494 /nfs/dbraw/zinc/82/24/94/1066822494.db2.gz QXNRRRQTBPKLSF-HNNXBMFYSA-N 0 0 454.645 4.807 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccccc1 ZINC001457400183 1066822576 /nfs/dbraw/zinc/82/25/76/1066822576.db2.gz KVSPUUWBCJXSIE-QJMRKGMQSA-N 0 0 453.970 4.935 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545997329 1066822574 /nfs/dbraw/zinc/82/25/74/1066822574.db2.gz MWSSQASWTFOFQL-DUXKGJEZSA-N 0 0 459.610 4.936 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545997330 1066822584 /nfs/dbraw/zinc/82/25/84/1066822584.db2.gz MWSSQASWTFOFQL-IOMROCGXSA-N 0 0 459.610 4.936 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OCc4ccccc4)CC3)n2CCCC(C)(C)C)cs1 ZINC001492680212 1066822569 /nfs/dbraw/zinc/82/25/69/1066822569.db2.gz DZLFGUFSKPIRLL-UHFFFAOYSA-N 0 0 496.681 4.919 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2cccc(OCc3ccccc3)c2)[C@@H](F)C1 ZINC001457403261 1066822976 /nfs/dbraw/zinc/82/29/76/1066822976.db2.gz UMZRDXDSCOGGGR-GOTSBHOMSA-N 0 0 456.558 4.662 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCCC2(F)F)cs1 ZINC001492680766 1066823100 /nfs/dbraw/zinc/82/31/00/1066823100.db2.gz ZAHLMILSXFVIKO-QGZVFWFLSA-N 0 0 496.628 4.516 20 0 JJADRN COc1cc(C(=O)NN2Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001447568308 1066823086 /nfs/dbraw/zinc/82/30/86/1066823086.db2.gz MKWNLZVBVFOKDF-UHFFFAOYSA-N 0 0 457.313 4.882 20 0 JJADRN Cc1cn2c(n1)C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC001447568649 1066823307 /nfs/dbraw/zinc/82/33/07/1066823307.db2.gz ABWOLDQAIVEOHK-UGKGYDQZSA-N 0 0 457.496 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCC(C)(C)C)cs1 ZINC001492680931 1066823723 /nfs/dbraw/zinc/82/37/23/1066823723.db2.gz FNRQHZUBJRIVEA-OAHLLOKOSA-N 0 0 458.598 4.533 20 0 JJADRN CCOC(OCC)[C@@H](C)NC(=O)c1cccnc1SCc1ccc(Br)cc1 ZINC001457407550 1066823722 /nfs/dbraw/zinc/82/37/22/1066823722.db2.gz DZUNGWNHWQPCSD-CQSZACIVSA-N 0 0 453.402 4.654 20 0 JJADRN COc1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1I ZINC001457406936 1066823752 /nfs/dbraw/zinc/82/37/52/1066823752.db2.gz YYRGYRPRFOCJDX-UHFFFAOYSA-N 0 0 453.707 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cc(C(C)(C)C)no2)cs1 ZINC001492681916 1066824249 /nfs/dbraw/zinc/82/42/49/1066824249.db2.gz KVKDYSQTYOKGCJ-XMMPIXPASA-N 0 0 472.659 4.609 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC001457410061 1066824270 /nfs/dbraw/zinc/82/42/70/1066824270.db2.gz URSJAGDLZYXDMT-UHFFFAOYSA-N 0 0 457.434 4.789 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1ccc(C)cc1Br ZINC001447575416 1066824239 /nfs/dbraw/zinc/82/42/39/1066824239.db2.gz QZWKSNNTGIEKAN-SFHVURJKSA-N 0 0 453.421 4.938 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001457412207 1066824906 /nfs/dbraw/zinc/82/49/06/1066824906.db2.gz UFEHHINVGVOZGY-DOTOQJQBSA-N 0 0 456.505 4.670 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2CCSC(F)(F)F)cs1 ZINC001492683272 1066825341 /nfs/dbraw/zinc/82/53/41/1066825341.db2.gz UAKHSWFIBVCWRZ-KRWDZBQOSA-N 0 0 487.548 4.604 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccccc4Br)C3)n2CC(C)C)cs1 ZINC001492682858 1066825347 /nfs/dbraw/zinc/82/53/47/1066825347.db2.gz JBLLBHVEZIWZCQ-LJQANCHMSA-N 0 0 476.444 4.630 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCO[C@H](C)c2ccccc2)cs1 ZINC001492682883 1066825464 /nfs/dbraw/zinc/82/54/64/1066825464.db2.gz JPPVBVNQMVCFES-RTBURBONSA-N 0 0 469.655 4.805 20 0 JJADRN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[C@H](COC)Cc1ccccc1 ZINC001457415283 1066826037 /nfs/dbraw/zinc/82/60/37/1066826037.db2.gz NAOMRPUZJJBQIW-QAPCUYQASA-N 0 0 454.792 4.976 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H](CCO)c2ccccc2Br)c1)c1cccs1 ZINC001447591892 1066826604 /nfs/dbraw/zinc/82/66/04/1066826604.db2.gz ZZEZKCANKVVGKZ-GOSISDBHSA-N 0 0 459.365 4.616 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)c1 ZINC001457418457 1066826702 /nfs/dbraw/zinc/82/67/02/1066826702.db2.gz RSVLGRKJUYMULH-INIZCTEOSA-N 0 0 454.645 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)cs1 ZINC001492683950 1066827260 /nfs/dbraw/zinc/82/72/60/1066827260.db2.gz MPOFVTQZPGMMID-NFBKMPQASA-N 0 0 463.717 4.543 20 0 JJADRN C[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)n1cc(Br)cn1 ZINC001447608723 1066827896 /nfs/dbraw/zinc/82/78/96/1066827896.db2.gz NZCIXZRBPXHUEI-MAUKXSAKSA-N 0 0 458.360 4.791 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2ccc(F)cc2C)cs1 ZINC001492684163 1066827934 /nfs/dbraw/zinc/82/79/34/1066827934.db2.gz SHXXNTRZIPLIGV-OAQYLSRUSA-N 0 0 459.660 4.902 20 0 JJADRN C[C@@H](CC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC001457422377 1066828084 /nfs/dbraw/zinc/82/80/84/1066828084.db2.gz IUBQZRFDCKDOPS-LBPRGKRZSA-N 0 0 450.848 4.896 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCc2csc(C(C)C)n2)cs1 ZINC001492684189 1066828709 /nfs/dbraw/zinc/82/87/09/1066828709.db2.gz SYFZYCWYDHYNNH-GJZGRUSLSA-N 0 0 462.714 4.787 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3Cl)N(C)C)C2)no1 ZINC001492685157 1066829075 /nfs/dbraw/zinc/82/90/75/1066829075.db2.gz QJMCYUCTZFOOSF-DENIHFKCSA-N 0 0 486.064 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC001447616510 1066829232 /nfs/dbraw/zinc/82/92/32/1066829232.db2.gz ZUFDUWRKQNZDQW-PMACEKPBSA-N 0 0 454.571 4.874 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(C)(C)C ZINC001457425598 1066829577 /nfs/dbraw/zinc/82/95/77/1066829577.db2.gz LDEJZRXCQBMMFO-SFHVURJKSA-N 0 0 456.377 4.817 20 0 JJADRN O=C(NCc1nc(CNC(=O)C2(Sc3ccccc3)CCCC2)cs1)c1ccccc1 ZINC001457429254 1066830257 /nfs/dbraw/zinc/83/02/57/1066830257.db2.gz JJKHVVRNLDIWIM-UHFFFAOYSA-N 0 0 451.617 4.794 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C)c2nccs2)cs1 ZINC001492685910 1066830351 /nfs/dbraw/zinc/83/03/51/1066830351.db2.gz NYBOSKPRBXZPGA-MELADBBJSA-N 0 0 452.600 4.622 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCCCO)C2)no1 ZINC001492685933 1066830368 /nfs/dbraw/zinc/83/03/68/1066830368.db2.gz ONRSDWRGFCJMMN-MRXNPFEDSA-N 0 0 479.412 4.565 20 0 JJADRN CCOc1cccc(CCC(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1 ZINC001457430735 1066830663 /nfs/dbraw/zinc/83/06/63/1066830663.db2.gz ZUKPVJQSAWWXKB-UHFFFAOYSA-N 0 0 452.532 4.742 20 0 JJADRN Cc1c(Cl)cccc1OCC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001457430090 1066830744 /nfs/dbraw/zinc/83/07/44/1066830744.db2.gz WPWGLJPXAPLAFL-UHFFFAOYSA-N 0 0 458.923 4.751 20 0 JJADRN O=C(NCc1nc(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)cs1)c1ccccc1 ZINC001457435000 1066831809 /nfs/dbraw/zinc/83/18/09/1066831809.db2.gz NFWXFOBRWFKLEL-UHFFFAOYSA-N 0 0 453.873 4.675 20 0 JJADRN O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001457435284 1066831886 /nfs/dbraw/zinc/83/18/86/1066831886.db2.gz KKMXXUORMOLILE-UHFFFAOYSA-N 0 0 459.880 4.681 20 0 JJADRN O=C(C/C=C/c1ccc(Br)cc1)Nc1ccc(I)cc1O ZINC001447631422 1066831951 /nfs/dbraw/zinc/83/19/51/1066831951.db2.gz SLFHMLGDZQWOHB-OWOJBTEDSA-N 0 0 458.093 4.801 20 0 JJADRN Cc1cc(OCC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1Br ZINC001447629741 1066831993 /nfs/dbraw/zinc/83/19/93/1066831993.db2.gz GQGLQVKOOGAHIW-SFHVURJKSA-N 0 0 458.274 4.755 20 0 JJADRN COc1cc(CCC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc(OC)c1O ZINC001447630147 1066832030 /nfs/dbraw/zinc/83/20/30/1066832030.db2.gz HWMQLAALPCNZGD-GOSISDBHSA-N 0 0 451.363 4.781 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(-c2nc(CC)no2)cc1Cl)NC(C)=O ZINC001447630799 1066832053 /nfs/dbraw/zinc/83/20/53/1066832053.db2.gz FJXXVGHIRBMCSZ-LJQANCHMSA-N 0 0 456.930 4.557 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1-c1cccc(Cl)c1 ZINC001457441224 1066832599 /nfs/dbraw/zinc/83/25/99/1066832599.db2.gz LVWSCMUJPPWZHZ-ZDUSSCGKSA-N 0 0 453.955 4.948 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 ZINC001447632017 1066832538 /nfs/dbraw/zinc/83/25/38/1066832538.db2.gz JCCLBWWMJSQNGA-PMACEKPBSA-N 0 0 454.876 4.526 20 0 JJADRN Cc1[nH]nc(NC(=O)CCCOc2ccccc2Br)c1-c1ccc2c(c1)OCO2 ZINC001457444793 1066832618 /nfs/dbraw/zinc/83/26/18/1066832618.db2.gz XYONTGDDXMCVML-UHFFFAOYSA-N 0 0 458.312 4.674 20 0 JJADRN Cc1ccc2c(Cl)c(C(=O)N3CCO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2c1 ZINC001457440476 1066832644 /nfs/dbraw/zinc/83/26/44/1066832644.db2.gz CKMHAGXCFXYYSI-JOCHJYFZSA-N 0 0 450.988 4.715 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(C)cc(Br)c2)ccn1 ZINC001457448563 1066832986 /nfs/dbraw/zinc/83/29/86/1066832986.db2.gz WOMQWXWQCIQICR-UHFFFAOYSA-N 0 0 454.324 4.865 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)n[nH]1 ZINC001492687434 1066832962 /nfs/dbraw/zinc/83/29/62/1066832962.db2.gz XMKVGCLQTSOUQA-ZDUSSCGKSA-N 0 0 475.981 4.578 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447633891 1066832957 /nfs/dbraw/zinc/83/29/57/1066832957.db2.gz OOUJFRPWSLCSFU-MVSSULDISA-N 0 0 468.516 4.665 20 0 JJADRN CCCCO[C@@H]1C[C@@H](NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1(C)C ZINC001457454776 1066833783 /nfs/dbraw/zinc/83/37/83/1066833783.db2.gz SOKOBKSEGXFIFE-QZTJIDSGSA-N 0 0 450.505 4.877 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)CC1CC1 ZINC001447636462 1066833843 /nfs/dbraw/zinc/83/38/43/1066833843.db2.gz XMHVMXVAGHINGI-IBGZPJMESA-N 0 0 456.505 4.643 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCOC[C@H]2C)cs1 ZINC001492687822 1066833771 /nfs/dbraw/zinc/83/37/71/1066833771.db2.gz RKNXLCQOSVNHNL-GFCCVEGCSA-N 0 0 482.835 4.594 20 0 JJADRN CN(C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457456518 1066834088 /nfs/dbraw/zinc/83/40/88/1066834088.db2.gz IBGZWVRXTBDYDB-JOCHJYFZSA-N 0 0 450.970 4.654 20 0 JJADRN CSc1c(F)cc(NC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1F ZINC001447637573 1066834265 /nfs/dbraw/zinc/83/42/65/1066834265.db2.gz ZDHLAERBRORNFL-HNNXBMFYSA-N 0 0 452.527 4.708 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C(C)(C)C)C2)cs1 ZINC001492688017 1066834501 /nfs/dbraw/zinc/83/45/01/1066834501.db2.gz ZWUHRKXSMBZURH-AWEZNQCLSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1noc(C[C@H](NC(=O)Cn2c(C)c(Br)c3ccccc32)c2ccccc2)n1 ZINC001447648204 1066834936 /nfs/dbraw/zinc/83/49/36/1066834936.db2.gz GKMPEWRQBVCVPV-SFHVURJKSA-N 0 0 453.340 4.504 20 0 JJADRN O=C(Nc1ccccc1NCCCc1ccccc1)c1cncc(I)c1 ZINC001447643157 1066835026 /nfs/dbraw/zinc/83/50/26/1066835026.db2.gz GSDHBGSMZBSOCE-UHFFFAOYSA-N 0 0 457.315 4.983 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)cs1 ZINC001492689162 1066835115 /nfs/dbraw/zinc/83/51/15/1066835115.db2.gz YPMSJUCQCRTZQD-IBGZPJMESA-N 0 0 469.655 4.993 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n[nH]1 ZINC001492688921 1066835120 /nfs/dbraw/zinc/83/51/20/1066835120.db2.gz VMDCEWAKFYQABI-HDICACEKSA-N 0 0 487.599 4.767 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c2ccccc2)n1 ZINC001447649503 1066835287 /nfs/dbraw/zinc/83/52/87/1066835287.db2.gz ISKLKONWBSFRAI-GOSISDBHSA-N 0 0 455.440 4.809 20 0 JJADRN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N(CCO)Cc1cc(Br)cs1 ZINC001447649602 1066835524 /nfs/dbraw/zinc/83/55/24/1066835524.db2.gz JABSBGRDURAMFK-UHFFFAOYSA-N 0 0 459.337 4.547 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)cs1 ZINC001492690050 1066835733 /nfs/dbraw/zinc/83/57/33/1066835733.db2.gz HRECKDVLKWHONT-AWEZNQCLSA-N 0 0 482.473 4.640 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC001457460888 1066835789 /nfs/dbraw/zinc/83/57/89/1066835789.db2.gz RHGUSVPTASYYPL-UHFFFAOYSA-N 0 0 451.618 4.883 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cc(F)c(Br)cc3F)n2)cc1 ZINC001457463099 1066835801 /nfs/dbraw/zinc/83/58/01/1066835801.db2.gz OYGHGHCACOPFQW-UHFFFAOYSA-N 0 0 458.309 4.991 20 0 JJADRN CN(CC(=O)NCC1(c2cccc(F)c2F)CCCC1)c1ccc(C(F)(F)F)cc1C=O ZINC001447651247 1066836158 /nfs/dbraw/zinc/83/61/58/1066836158.db2.gz OWWFAJJJTYZTCQ-UHFFFAOYSA-N 0 0 454.439 4.861 20 0 JJADRN COC(=O)[C@@H](C)[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC001457464675 1066836405 /nfs/dbraw/zinc/83/64/05/1066836405.db2.gz FUUYWFHCVFFGJA-NYHFZMIOSA-N 0 0 456.336 4.648 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC001447653538 1066836624 /nfs/dbraw/zinc/83/66/24/1066836624.db2.gz YVRUZRRUROKBCV-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN O=C(c1ccc(NCc2ccsc2)cc1)N(CCO)Cc1cc(Br)cs1 ZINC001447654157 1066836654 /nfs/dbraw/zinc/83/66/54/1066836654.db2.gz VHRVRBIEEIIJEC-UHFFFAOYSA-N 0 0 451.411 4.819 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001457467946 1066836682 /nfs/dbraw/zinc/83/66/82/1066836682.db2.gz GBJAGZFYCBHPAQ-OLZOCXBDSA-N 0 0 455.258 4.545 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)cs1 ZINC001492691684 1066836743 /nfs/dbraw/zinc/83/67/43/1066836743.db2.gz LBYYGERTEQYOPG-UHFFFAOYSA-N 0 0 499.056 4.619 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)c2ccco2)n[nH]1 ZINC001492691298 1066836803 /nfs/dbraw/zinc/83/68/03/1066836803.db2.gz DRQIPFHSNDDHPO-KRWDZBQOSA-N 0 0 463.586 4.614 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)c2ccco2)n[nH]1 ZINC001492691299 1066836818 /nfs/dbraw/zinc/83/68/18/1066836818.db2.gz DRQIPFHSNDDHPO-QGZVFWFLSA-N 0 0 463.586 4.614 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C)CC2)cs1 ZINC001492691478 1066836897 /nfs/dbraw/zinc/83/68/97/1066836897.db2.gz CSMXDEURZREZJR-POAQFYNOSA-N 0 0 474.675 4.683 20 0 JJADRN C[C@H]1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCS1(=O)=O ZINC001447655409 1066837503 /nfs/dbraw/zinc/83/75/03/1066837503.db2.gz YXBZWIHVOIMSOV-AWEZNQCLSA-N 0 0 458.432 4.935 20 0 JJADRN CC[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)Oc1cccc(C(F)(F)F)c1 ZINC001457469624 1066837526 /nfs/dbraw/zinc/83/75/26/1066837526.db2.gz TVBFWDZZTKDJBQ-LJQANCHMSA-N 0 0 459.468 4.664 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2ccn(C)n2)cs1 ZINC001492692298 1066837626 /nfs/dbraw/zinc/83/76/26/1066837626.db2.gz WBYSTHAZESXPJL-UHFFFAOYSA-N 0 0 464.382 4.649 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001457470398 1066837888 /nfs/dbraw/zinc/83/78/88/1066837888.db2.gz CYRKOIYGBOZFLM-MQFAKOPTSA-N 0 0 451.636 4.746 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC001447657252 1066837931 /nfs/dbraw/zinc/83/79/31/1066837931.db2.gz QIQLJFLJWYUFAU-NLFFAJNJSA-N 0 0 456.558 4.957 20 0 JJADRN O=C(c1cc2ccccc2nc1Cl)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447658478 1066837949 /nfs/dbraw/zinc/83/79/49/1066837949.db2.gz CEEDSWUHAUAMBY-UHFFFAOYSA-N 0 0 450.844 4.911 20 0 JJADRN Cc1nc(CCn2c(N3CCc4ccc(Br)cc4C3)nnc2C(C)(C)C)cs1 ZINC001492692586 1066838047 /nfs/dbraw/zinc/83/80/47/1066838047.db2.gz YBLSBQFEWLFGFX-UHFFFAOYSA-N 0 0 460.445 4.908 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CCCC(C)C)CC2)cs1 ZINC001492692740 1066838064 /nfs/dbraw/zinc/83/80/64/1066838064.db2.gz DGRKSCREUYUFSS-UHFFFAOYSA-N 0 0 495.697 4.671 20 0 JJADRN Cc1nc(CCn2c(CCc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cs1 ZINC001492692336 1066838117 /nfs/dbraw/zinc/83/81/17/1066838117.db2.gz XQKFYJXGYPKOAI-RUZDIDTESA-N 0 0 453.656 4.712 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c2cc(F)ccc2OC)c1 ZINC001457471527 1066838375 /nfs/dbraw/zinc/83/83/75/1066838375.db2.gz HLOJKNOZOODREQ-IXFSTUDKSA-N 0 0 457.542 4.807 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001457471429 1066838489 /nfs/dbraw/zinc/83/84/89/1066838489.db2.gz FJJDORANFNONCM-UJQZNKFNSA-N 0 0 456.608 4.945 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CCc3ccccc3C(F)(F)F)CC2)cs1 ZINC001492692999 1066838664 /nfs/dbraw/zinc/83/86/64/1066838664.db2.gz NFEOILNUYUJTFM-UHFFFAOYSA-N 0 0 492.615 4.924 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CCSCc3ccccc3)CC2)cs1 ZINC001492692870 1066838765 /nfs/dbraw/zinc/83/87/65/1066838765.db2.gz JIUQUAWLOUBHBT-UHFFFAOYSA-N 0 0 470.712 4.596 20 0 JJADRN CC[C@H](OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1c(Cl)cccc1Cl ZINC001457473459 1066839041 /nfs/dbraw/zinc/83/90/41/1066839041.db2.gz BTBJCJGAVFJWKX-IBGZPJMESA-N 0 0 456.391 4.532 20 0 JJADRN C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001457472103 1066839054 /nfs/dbraw/zinc/83/90/54/1066839054.db2.gz ORNZJOCOZHWFIE-QGZVFWFLSA-N 0 0 454.979 4.925 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCc3ccsc3)CC2)C1 ZINC001457473391 1066839111 /nfs/dbraw/zinc/83/91/11/1066839111.db2.gz PPHWQXHOPUMKCQ-UHFFFAOYSA-N 0 0 456.608 4.872 20 0 JJADRN O=C(c1ccc(Br)s1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447664120 1066839184 /nfs/dbraw/zinc/83/91/84/1066839184.db2.gz ZBEQKGZACSKFPP-UHFFFAOYSA-N 0 0 450.276 4.533 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447664019 1066839296 /nfs/dbraw/zinc/83/92/96/1066839296.db2.gz WKTXTNRMWQHEPM-UHFFFAOYSA-N 0 0 453.457 4.506 20 0 JJADRN CC[C@@H](CNC(=O)c1cccn2ncc(Br)c12)Oc1cccc(C(F)(F)F)c1 ZINC001457476989 1066839516 /nfs/dbraw/zinc/83/95/16/1066839516.db2.gz PPKWAQYDVXJWEJ-ZDUSSCGKSA-N 0 0 456.262 4.703 20 0 JJADRN CCN(CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4OC)s3)CCCC2)no1 ZINC001457474598 1066839560 /nfs/dbraw/zinc/83/95/60/1066839560.db2.gz FJURWONBTYQDQN-UHFFFAOYSA-N 0 0 454.596 4.848 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)nc1C(C)(C)C ZINC001457476108 1066839601 /nfs/dbraw/zinc/83/96/01/1066839601.db2.gz JMFBUGXJWKWGHE-SECBINFHSA-N 0 0 459.337 4.535 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545998839 1066839819 /nfs/dbraw/zinc/83/98/19/1066839819.db2.gz CCRKUBIWPYJGQJ-LJQANCHMSA-N 0 0 482.654 4.582 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(F)F)cc2)cs1 ZINC001492694260 1066839857 /nfs/dbraw/zinc/83/98/57/1066839857.db2.gz DBLVDGJKYVAPHU-LJQANCHMSA-N 0 0 474.581 4.683 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccccc3)n2CCNC(=O)OC(C)(C)C)cs1 ZINC001492694452 1066839974 /nfs/dbraw/zinc/83/99/74/1066839974.db2.gz GQMCZDHCPADQBG-LJQANCHMSA-N 0 0 454.600 4.576 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001492694965 1066840468 /nfs/dbraw/zinc/84/04/68/1066840468.db2.gz NFMCPPNGRAZETH-INZIPBBXSA-N 0 0 479.075 4.647 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2=O)c1 ZINC001457482457 1066840733 /nfs/dbraw/zinc/84/07/33/1066840733.db2.gz XEQVMJZOECXGJJ-SMIHKQSGSA-N 0 0 450.579 4.535 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)CCO2)cc1 ZINC001447683506 1066840901 /nfs/dbraw/zinc/84/09/01/1066840901.db2.gz AIESVIIOPQWLHU-HSZRJFAPSA-N 0 0 455.620 4.552 20 0 JJADRN COc1ccc2c(c1NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1)CCC2 ZINC001447685575 1066841065 /nfs/dbraw/zinc/84/10/65/1066841065.db2.gz HSXHWYZVFMMKDC-UHFFFAOYSA-N 0 0 454.567 4.659 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(c2nnc(C(C)(C)C)n2CCCOCC(F)F)CC1 ZINC001492695071 1066841055 /nfs/dbraw/zinc/84/10/55/1066841055.db2.gz YZSGDHKUQUZZEQ-UHFFFAOYSA-N 0 0 460.573 4.747 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)no1 ZINC001447688542 1066841675 /nfs/dbraw/zinc/84/16/75/1066841675.db2.gz AZXIOBZVANYDAK-GOSISDBHSA-N 0 0 452.363 4.831 20 0 JJADRN Cc1c(COc2ccccc2)cccc1NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001457490178 1066841875 /nfs/dbraw/zinc/84/18/75/1066841875.db2.gz BPBVCOQNZUDHTG-UHFFFAOYSA-N 0 0 453.424 4.821 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)s1 ZINC001492695489 1066842269 /nfs/dbraw/zinc/84/22/69/1066842269.db2.gz DBZJPCXFDJOEQZ-UHFFFAOYSA-N 0 0 486.443 4.704 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC001457492223 1066842323 /nfs/dbraw/zinc/84/23/23/1066842323.db2.gz PUEKGWMNVRZRQO-HYFFOGBASA-N 0 0 458.986 4.612 20 0 JJADRN CC(C)n1ncc(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1I ZINC001457491667 1066842328 /nfs/dbraw/zinc/84/23/28/1066842328.db2.gz FJLBGMWVYNPLJA-STQMWFEESA-N 0 0 459.759 4.986 20 0 JJADRN CCc1c(NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001447691138 1066842751 /nfs/dbraw/zinc/84/27/51/1066842751.db2.gz JNULQTMTKUSENT-GOSISDBHSA-N 0 0 459.472 4.500 20 0 JJADRN O=C(c1ncc(-c2cc(Cl)cc(Cl)c2)s1)N1CCn2c(Br)cnc2C1 ZINC001447691430 1066842880 /nfs/dbraw/zinc/84/28/80/1066842880.db2.gz ZNHANJGZUBQZJV-UHFFFAOYSA-N 0 0 458.168 4.732 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545999367 1066842932 /nfs/dbraw/zinc/84/29/32/1066842932.db2.gz LWQVRMAUYRPZPG-OAQYLSRUSA-N 0 0 490.652 4.951 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3C)n2CCc2nccc(C(F)(F)F)n2)s1 ZINC001492695539 1066842831 /nfs/dbraw/zinc/84/28/31/1066842831.db2.gz FGOASWAEVFBVKJ-UHFFFAOYSA-N 0 0 473.528 4.706 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1)O[C@H](C)C2 ZINC001457495001 1066843069 /nfs/dbraw/zinc/84/30/69/1066843069.db2.gz XGAOJKAPLSWKHM-INWMFGNUSA-N 0 0 458.580 4.692 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)c2cccs2)s1 ZINC001492695715 1066843372 /nfs/dbraw/zinc/84/33/72/1066843372.db2.gz MBFCJXXDVBGKNK-NRFANRHFSA-N 0 0 460.028 4.969 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1O ZINC001447692891 1066843451 /nfs/dbraw/zinc/84/34/51/1066843451.db2.gz CIWNLLLDDZUHTH-HXUWFJFHSA-N 0 0 456.292 4.700 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)s1 ZINC001492695911 1066843970 /nfs/dbraw/zinc/84/39/70/1066843970.db2.gz PJLKIERFWNETCL-OAHLLOKOSA-N 0 0 474.606 4.646 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCc2c(C)noc2C)s1 ZINC001492695922 1066844024 /nfs/dbraw/zinc/84/40/24/1066844024.db2.gz PZVPUHADKAKKJU-UHFFFAOYSA-N 0 0 474.537 4.795 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(F)c2)s1 ZINC001492695885 1066844146 /nfs/dbraw/zinc/84/41/46/1066844146.db2.gz CLVGWVCMJUBEPD-UHFFFAOYSA-N 0 0 479.354 4.764 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4S[C@@H](C)[C@@H]3C)c2)C1 ZINC001457500034 1066844199 /nfs/dbraw/zinc/84/41/99/1066844199.db2.gz VZBJPSHMOLKAOC-RDGPPVDQSA-N 0 0 458.649 4.883 20 0 JJADRN C/C(=C/C(=O)NC[C@H](CO)Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001447699124 1066844511 /nfs/dbraw/zinc/84/45/11/1066844511.db2.gz SAHHXWWUETYZBS-BAAYTWLHSA-N 0 0 456.302 4.839 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)s1 ZINC001447708491 1066845903 /nfs/dbraw/zinc/84/59/03/1066845903.db2.gz VZOJPFIJHHAHOR-LBPRGKRZSA-N 0 0 459.399 4.613 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c1 ZINC001447716999 1066846448 /nfs/dbraw/zinc/84/64/48/1066846448.db2.gz JXLUVGZWZRCAKU-UHFFFAOYSA-N 0 0 459.218 4.596 20 0 JJADRN O=C(NCc1cccc(C(F)F)c1)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001447716177 1066846464 /nfs/dbraw/zinc/84/64/64/1066846464.db2.gz CZDXGBALHLKKFC-CYBMUJFWSA-N 0 0 457.262 4.958 20 0 JJADRN C[C@H](NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457509881 1066846587 /nfs/dbraw/zinc/84/65/87/1066846587.db2.gz NKZLGFQQMAJCQG-FYSMJZIKSA-N 0 0 452.942 4.510 20 0 JJADRN Cc1cc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c2cc(Br)ccc2n1 ZINC001457508289 1066846601 /nfs/dbraw/zinc/84/66/01/1066846601.db2.gz VAWCFTHBJVVWMQ-UHFFFAOYSA-N 0 0 456.731 4.851 20 0 JJADRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)c1ccc(OC)cc1 ZINC001457508497 1066846666 /nfs/dbraw/zinc/84/66/66/1066846666.db2.gz VUJCFSGXUPANNB-QFIPXVFZSA-N 0 0 456.539 4.825 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3C)cn2)cn1 ZINC001447720529 1066847121 /nfs/dbraw/zinc/84/71/21/1066847121.db2.gz QJSCJCDETMNXIA-RUZDIDTESA-N 0 0 456.546 4.775 20 0 JJADRN CC1(C)CCCN(C(=O)COc2c(I)cc(Cl)c3cccnc32)C1 ZINC001447719830 1066847139 /nfs/dbraw/zinc/84/71/39/1066847139.db2.gz AWHDONCGHBHFSG-UHFFFAOYSA-N 0 0 458.727 4.520 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001447726087 1066847734 /nfs/dbraw/zinc/84/77/34/1066847734.db2.gz BNSGXVMWWLEISH-UHFFFAOYSA-N 0 0 452.551 4.739 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)s1 ZINC001492696647 1066847654 /nfs/dbraw/zinc/84/76/54/1066847654.db2.gz SRKATIZKRZBBPS-DENIHFKCSA-N 0 0 482.654 4.610 20 0 JJADRN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001457515476 1066848281 /nfs/dbraw/zinc/84/82/81/1066848281.db2.gz GEZPEEFAODKPNS-UHFFFAOYSA-N 0 0 457.162 4.513 20 0 JJADRN CC(C)[C@](C)(NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1ccc(Br)cc1 ZINC001447727723 1066848312 /nfs/dbraw/zinc/84/83/12/1066848312.db2.gz RYXUQBGZLIQCLP-YWNPBTLJSA-N 0 0 465.432 4.940 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447727449 1066848361 /nfs/dbraw/zinc/84/83/61/1066848361.db2.gz MARQXPVRKNMLOI-OAQYLSRUSA-N 0 0 452.636 4.822 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492696898 1066848389 /nfs/dbraw/zinc/84/83/89/1066848389.db2.gz ALGZWLHBJKUUSE-NVXWUHKLSA-N 0 0 462.019 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)=NO1 ZINC001457517353 1066848883 /nfs/dbraw/zinc/84/88/83/1066848883.db2.gz HXUXWCGWNPVMFZ-INIZCTEOSA-N 0 0 452.536 4.571 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001447731032 1066848826 /nfs/dbraw/zinc/84/88/26/1066848826.db2.gz SRRRMYVYVZZIGJ-MRXNPFEDSA-N 0 0 451.405 4.729 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(C)C)s1 ZINC001492697489 1066848894 /nfs/dbraw/zinc/84/88/94/1066848894.db2.gz UXXVGFVSZRPTLM-UHFFFAOYSA-N 0 0 451.600 4.677 20 0 JJADRN O=C(Nc1ccc(Br)c(O)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001447734056 1066849602 /nfs/dbraw/zinc/84/96/02/1066849602.db2.gz AXBWISPAFFUFNJ-UHFFFAOYSA-N 0 0 453.271 4.794 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001457517511 1066849658 /nfs/dbraw/zinc/84/96/58/1066849658.db2.gz JVCHKYGOVFLJLN-QFIPXVFZSA-N 0 0 451.567 4.917 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)cc1 ZINC001457517786 1066849730 /nfs/dbraw/zinc/84/97/30/1066849730.db2.gz VWNPHOPPEHPRES-QGZVFWFLSA-N 0 0 450.564 4.589 20 0 JJADRN Cc1cccc(C[C@@H](CO)NC(=O)c2ccc(COc3ccccc3Br)cc2)c1 ZINC001447739147 1066850082 /nfs/dbraw/zinc/85/00/82/1066850082.db2.gz FYVBKEWVPJPAMG-NRFANRHFSA-N 0 0 454.364 4.670 20 0 JJADRN CCn1nc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1C1CC1 ZINC001457520298 1066850119 /nfs/dbraw/zinc/85/01/19/1066850119.db2.gz RLPQPYYVTDLZNK-YMPZKCBVSA-N 0 0 450.627 4.909 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001447740233 1066850210 /nfs/dbraw/zinc/85/02/10/1066850210.db2.gz WXASMBJXAHGXFR-GCJKJVERSA-N 0 0 459.411 4.532 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C(F)(F)c1ccccc1Br ZINC001447740375 1066850257 /nfs/dbraw/zinc/85/02/57/1066850257.db2.gz XBWRLMGBMRTVGZ-ICSRJNTNSA-N 0 0 456.302 4.570 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC001447739106 1066850268 /nfs/dbraw/zinc/85/02/68/1066850268.db2.gz WGYHQPSKZCSGPE-OFVILXPXSA-N 0 0 456.558 4.824 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001447740242 1066850280 /nfs/dbraw/zinc/85/02/80/1066850280.db2.gz WXASMBJXAHGXFR-XMSQKQJNSA-N 0 0 459.411 4.532 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2cc(Br)cs2)s1 ZINC001492697948 1066850442 /nfs/dbraw/zinc/85/04/42/1066850442.db2.gz ISYKEWNAZCZVSG-UHFFFAOYSA-N 0 0 475.441 4.538 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)(F)F)s1 ZINC001492698098 1066850450 /nfs/dbraw/zinc/85/04/50/1066850450.db2.gz MWGZXIREJMIGFY-UHFFFAOYSA-N 0 0 474.512 4.612 20 0 JJADRN CN1C(=O)CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)c2ccccc21 ZINC001457521011 1066850867 /nfs/dbraw/zinc/85/08/67/1066850867.db2.gz PQRDZETZNLAHJF-QFIPXVFZSA-N 0 0 451.320 4.579 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc2cc[nH]c21)c1ccccc1Br ZINC001447741308 1066850886 /nfs/dbraw/zinc/85/08/86/1066850886.db2.gz DFHIIGKHLUKNAR-IBGZPJMESA-N 0 0 458.356 4.813 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc2cc[nH]c21)c1ccccc1Br ZINC001447741310 1066850895 /nfs/dbraw/zinc/85/08/95/1066850895.db2.gz DFHIIGKHLUKNAR-LJQANCHMSA-N 0 0 458.356 4.813 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCSCC(F)(F)F)s1 ZINC001492698218 1066850943 /nfs/dbraw/zinc/85/09/43/1066850943.db2.gz QJFWBVTUKQEAKO-UHFFFAOYSA-N 0 0 477.528 4.844 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccc(F)cc3)n2Cc2nc(C(F)(F)F)cs2)s1 ZINC001492698349 1066850998 /nfs/dbraw/zinc/85/09/98/1066850998.db2.gz UYQUJBHJOJELNC-UHFFFAOYSA-N 0 0 482.532 4.933 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001447744476 1066851432 /nfs/dbraw/zinc/85/14/32/1066851432.db2.gz MQCXMUJFZROLNC-UHFFFAOYSA-N 0 0 453.951 4.861 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCOc1ncccc1Cl ZINC001457523654 1066851665 /nfs/dbraw/zinc/85/16/65/1066851665.db2.gz PKHXJSLUSGVIFV-ZDUSSCGKSA-N 0 0 452.363 4.860 20 0 JJADRN CCCc1c(C(=O)OCc2cccc(C(C)C)n2)nnn1Cc1cccc(Br)c1 ZINC001457525115 1066851694 /nfs/dbraw/zinc/85/16/94/1066851694.db2.gz XTPQSZHWSKKRPV-UHFFFAOYSA-N 0 0 457.372 4.917 20 0 JJADRN COc1cc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1C(F)(F)F ZINC001447745060 1066851532 /nfs/dbraw/zinc/85/15/32/1066851532.db2.gz VOSFCRMAPCUKQB-UHFFFAOYSA-N 0 0 456.505 4.967 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCOc2ccccc2C(C)C)s1 ZINC001492698701 1066852304 /nfs/dbraw/zinc/85/23/04/1066852304.db2.gz ISFNVNQOVFSKPF-UHFFFAOYSA-N 0 0 462.623 4.868 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)s1 ZINC001492698705 1066852370 /nfs/dbraw/zinc/85/23/70/1066852370.db2.gz IVCKCDSYCUFIPY-UHFFFAOYSA-N 0 0 461.510 4.651 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccc(Cl)nc2)s1 ZINC001492698776 1066852780 /nfs/dbraw/zinc/85/27/80/1066852780.db2.gz LHPPKRVJZMJFAW-UHFFFAOYSA-N 0 0 453.015 4.951 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCOc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)s1 ZINC001492698758 1066852854 /nfs/dbraw/zinc/85/28/54/1066852854.db2.gz KLPWUQNJGULMFS-UHFFFAOYSA-N 0 0 488.539 4.763 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)s1 ZINC001492698751 1066852931 /nfs/dbraw/zinc/85/29/31/1066852931.db2.gz KHDZBDKRPUCSQR-HXUWFJFHSA-N 0 0 476.691 4.961 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCSC2)s1 ZINC001492698887 1066853573 /nfs/dbraw/zinc/85/35/73/1066853573.db2.gz PQFLXJHFLQAFNU-AEFFLSMTSA-N 0 0 478.688 4.505 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 ZINC001447753328 1066853644 /nfs/dbraw/zinc/85/36/44/1066853644.db2.gz KFEMNMMLQMMQBM-UHFFFAOYSA-N 0 0 454.788 4.963 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCc2ccc(Br)s2)s1 ZINC001492699059 1066854254 /nfs/dbraw/zinc/85/42/54/1066854254.db2.gz WKESVVKGYAIDPF-UHFFFAOYSA-N 0 0 489.468 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001447754954 1066854405 /nfs/dbraw/zinc/85/44/05/1066854405.db2.gz ZQWJYDRHPQXHEX-OAHLLOKOSA-N 0 0 458.908 4.764 20 0 JJADRN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1C ZINC001447760279 1066854875 /nfs/dbraw/zinc/85/48/75/1066854875.db2.gz HZBHSADKZFTMIJ-LJQANCHMSA-N 0 0 454.324 4.987 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001447761352 1066855030 /nfs/dbraw/zinc/85/50/30/1066855030.db2.gz IQZAEZWVQGSJAL-KXBFYZLASA-N 0 0 456.340 4.939 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001457538146 1066855146 /nfs/dbraw/zinc/85/51/46/1066855146.db2.gz YJANURKKXDARKY-MRXNPFEDSA-N 0 0 457.452 4.643 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001447765024 1066855766 /nfs/dbraw/zinc/85/57/66/1066855766.db2.gz VHPWRCXXFYHXJT-AWEZNQCLSA-N 0 0 455.393 4.672 20 0 JJADRN COc1cccc(OC)c1COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001457541132 1066855948 /nfs/dbraw/zinc/85/59/48/1066855948.db2.gz IUMPDEQYBIJQOD-KOSHJBKYSA-N 0 0 451.544 4.911 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492700270 1066856151 /nfs/dbraw/zinc/85/61/51/1066856151.db2.gz KFEOEJMKFPWISV-VXGBXAGGSA-N 0 0 482.448 4.990 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492700257 1066856227 /nfs/dbraw/zinc/85/62/27/1066856227.db2.gz JKKKIPFYKDRHAU-QGZVFWFLSA-N 0 0 486.617 4.733 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492700236 1066856253 /nfs/dbraw/zinc/85/62/53/1066856253.db2.gz IUFXAGLYGAATJV-KRWDZBQOSA-N 0 0 487.073 4.790 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2c(OC)cccc2OC)cc1 ZINC001457542390 1066856390 /nfs/dbraw/zinc/85/63/90/1066856390.db2.gz NTFPBAOIRHFATH-UHFFFAOYSA-N 0 0 458.514 4.981 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492700452 1066856698 /nfs/dbraw/zinc/85/66/98/1066856698.db2.gz NLEMKQSHJBQLJY-SFHVURJKSA-N 0 0 452.411 4.926 20 0 JJADRN O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1O ZINC001447787967 1066857120 /nfs/dbraw/zinc/85/71/20/1066857120.db2.gz YENBYXVHSAMKFB-HSZRJFAPSA-N 0 0 453.558 4.587 20 0 JJADRN CCCOc1ccc(CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)c(OC(F)F)c1 ZINC001457543279 1066857226 /nfs/dbraw/zinc/85/72/26/1066857226.db2.gz RJMMUQRYHFPDQB-UHFFFAOYSA-N 0 0 451.420 4.779 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC001447785188 1066857208 /nfs/dbraw/zinc/85/72/08/1066857208.db2.gz PEJSOPTZHQKYDH-UHFFFAOYSA-N 0 0 454.958 4.543 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492700905 1066857302 /nfs/dbraw/zinc/85/73/02/1066857302.db2.gz SQDCFSVDOPDVNS-OAHLLOKOSA-N 0 0 462.417 4.526 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492701103 1066857405 /nfs/dbraw/zinc/85/74/05/1066857405.db2.gz WQBRHTIRPADNHR-QWHCGFSZSA-N 0 0 464.458 4.851 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492701101 1066857414 /nfs/dbraw/zinc/85/74/14/1066857414.db2.gz WQBRHTIRPADNHR-OLZOCXBDSA-N 0 0 464.458 4.851 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492701104 1066857434 /nfs/dbraw/zinc/85/74/34/1066857434.db2.gz WQBRHTIRPADNHR-STQMWFEESA-N 0 0 464.458 4.851 20 0 JJADRN COc1nsc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1Br ZINC001447789630 1066857800 /nfs/dbraw/zinc/85/78/00/1066857800.db2.gz DONYUZAFPPSDIL-UHFFFAOYSA-N 0 0 453.255 4.534 20 0 JJADRN CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457546716 1066857755 /nfs/dbraw/zinc/85/77/55/1066857755.db2.gz SSJJQCIFFKECOE-FYYLOGMGSA-N 0 0 451.636 4.805 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492701118 1066857975 /nfs/dbraw/zinc/85/79/75/1066857975.db2.gz WTGDFTJXYIYFFT-MNOVXSKESA-N 0 0 470.487 4.913 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)c12 ZINC001447792085 1066858209 /nfs/dbraw/zinc/85/82/09/1066858209.db2.gz AWSPYAWWAWHHTC-LHSJRXKWSA-N 0 0 451.420 4.551 20 0 JJADRN O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001457552226 1066858410 /nfs/dbraw/zinc/85/84/10/1066858410.db2.gz VNSPVNCPSKPXRV-UHFFFAOYSA-N 0 0 457.445 4.600 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492701503 1066858445 /nfs/dbraw/zinc/85/84/45/1066858445.db2.gz WSRZZJPKKGHJNZ-AEFFLSMTSA-N 0 0 486.642 4.996 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492701584 1066858598 /nfs/dbraw/zinc/85/85/98/1066858598.db2.gz YWQWWNBRSRHCKT-AZUAARDMSA-N 0 0 474.675 4.831 20 0 JJADRN CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC001457550428 1066858600 /nfs/dbraw/zinc/85/86/00/1066858600.db2.gz CZPNJHBWTLPLCH-UHFFFAOYSA-N 0 0 458.967 4.858 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@@H](C)c2ccc(Cl)cn2)c2ccccc2)cc1 ZINC001447793423 1066858919 /nfs/dbraw/zinc/85/89/19/1066858919.db2.gz ADMVRTAZRNYHEW-SFHVURJKSA-N 0 0 457.983 4.506 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001447793151 1066858939 /nfs/dbraw/zinc/85/89/39/1066858939.db2.gz CHOKABZSTCIUGF-IIBYNOLFSA-N 0 0 454.514 4.776 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001457551510 1066859393 /nfs/dbraw/zinc/85/93/93/1066859393.db2.gz UPNGIFDWFLOONP-CYBMUJFWSA-N 0 0 458.274 4.872 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC001447794871 1066859584 /nfs/dbraw/zinc/85/95/84/1066859584.db2.gz MUEAPSMUUVHUET-UHFFFAOYSA-N 0 0 453.370 4.699 20 0 JJADRN Cc1ncc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H](C)Oc2c(C)cc(Cl)cc2C)s1 ZINC001492702081 1066859889 /nfs/dbraw/zinc/85/98/89/1066859889.db2.gz RCGADKBAEQMGKK-CQSZACIVSA-N 0 0 457.991 4.979 20 0 JJADRN Cc1ncc(Cn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492702484 1066860552 /nfs/dbraw/zinc/86/05/52/1066860552.db2.gz GAIWLOVUOHEIRM-UHFFFAOYSA-N 0 0 455.481 4.588 20 0 JJADRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001447799315 1066860883 /nfs/dbraw/zinc/86/08/83/1066860883.db2.gz KNFZTQRQJONIOI-DCPHZVHLSA-N 0 0 450.904 4.606 20 0 JJADRN Cn1c(C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1-c1ccc(Br)cc1 ZINC001447801315 1066860955 /nfs/dbraw/zinc/86/09/55/1066860955.db2.gz LYUZOSZTCZCQTH-IFXJQAMLSA-N 0 0 459.306 4.668 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccccc3C)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492702721 1066861111 /nfs/dbraw/zinc/86/11/11/1066861111.db2.gz OUNHHJNSWSZENX-RXVVDRJESA-N 0 0 496.681 4.730 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(CCCO)CC2)s1 ZINC001492702942 1066861123 /nfs/dbraw/zinc/86/11/23/1066861123.db2.gz XHEOJMZKFWDQPZ-UHFFFAOYSA-N 0 0 496.464 4.966 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccccc3C)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492702720 1066861267 /nfs/dbraw/zinc/86/12/67/1066861267.db2.gz OUNHHJNSWSZENX-NQIIRXRSSA-N 0 0 496.681 4.730 20 0 JJADRN COC(=O)c1csc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 ZINC001457561775 1066861349 /nfs/dbraw/zinc/86/13/49/1066861349.db2.gz IKOSKHVVUDFQLP-OAHLLOKOSA-N 0 0 458.458 4.758 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cc3ccccc3s2)c(C)c1C ZINC001447801830 1066861544 /nfs/dbraw/zinc/86/15/44/1066861544.db2.gz ZVCZYVHSTMIKPW-IBGZPJMESA-N 0 0 458.649 4.989 20 0 JJADRN Cc1nccc(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)C(C)C)CC2)n1 ZINC001492703291 1066861820 /nfs/dbraw/zinc/86/18/20/1066861820.db2.gz KCSZQLFPINOZEK-UHFFFAOYSA-N 0 0 485.583 4.654 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492703016 1066861865 /nfs/dbraw/zinc/86/18/65/1066861865.db2.gz ZRARVRZJVWIDJK-LJQANCHMSA-N 0 0 462.019 4.575 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)NCC1(c2cccc(F)c2)CCCCC1)C(F)(F)F ZINC001457563120 1066862046 /nfs/dbraw/zinc/86/20/46/1066862046.db2.gz DLTBZCFZTPBJIY-HSZRJFAPSA-N 0 0 452.492 4.959 20 0 JJADRN COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c(Cl)n1 ZINC001457562834 1066862134 /nfs/dbraw/zinc/86/21/34/1066862134.db2.gz KQCBQEYCVHXOLH-UHFFFAOYSA-N 0 0 458.742 4.878 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001447802782 1066862242 /nfs/dbraw/zinc/86/22/42/1066862242.db2.gz MWOJYFNFHFVDJO-CABCVRRESA-N 0 0 466.338 4.926 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCN(c4ccnc(C)n4)CC3)n2CCCC(C)(C)C)cc1C ZINC001492704108 1066862569 /nfs/dbraw/zinc/86/25/69/1066862569.db2.gz QEESWSMPGWXYMU-UHFFFAOYSA-N 0 0 477.657 4.725 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(Cl)c(Cl)cc2OC)cc1 ZINC001457564163 1066862610 /nfs/dbraw/zinc/86/26/10/1066862610.db2.gz KTFBMGVDPSLWKH-AWEZNQCLSA-N 0 0 453.366 4.788 20 0 JJADRN CSc1nc(C)c(CCC(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(C)n1 ZINC001457563737 1066862730 /nfs/dbraw/zinc/86/27/30/1066862730.db2.gz AHVCCLLZLZRYCY-OAHLLOKOSA-N 0 0 458.628 4.650 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H](C)c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001447804447 1066862788 /nfs/dbraw/zinc/86/27/88/1066862788.db2.gz GDVNXWOLUHVXEH-MRXNPFEDSA-N 0 0 450.482 4.586 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c(C)cc1C ZINC001447806001 1066862922 /nfs/dbraw/zinc/86/29/22/1066862922.db2.gz KBSPBJSJGUDUCZ-UHFFFAOYSA-N 0 0 452.551 4.678 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(OC(F)(F)F)c(C)c2)cc1 ZINC001457564419 1066863456 /nfs/dbraw/zinc/86/34/56/1066863456.db2.gz LFEMFBUSDAWFIE-MRXNPFEDSA-N 0 0 452.473 4.680 20 0 JJADRN CO[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@@H]1C ZINC001447810215 1066863816 /nfs/dbraw/zinc/86/38/16/1066863816.db2.gz OGRURDRZWBVMGK-WNSKOXEYSA-N 0 0 458.624 4.527 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704565 1066863893 /nfs/dbraw/zinc/86/38/93/1066863893.db2.gz HIDPOUHFUPCTNU-UHFFFAOYSA-N 0 0 463.449 4.991 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC001457565736 1066864162 /nfs/dbraw/zinc/86/41/62/1066864162.db2.gz RMSJRVJLKCTMBW-GOSISDBHSA-N 0 0 458.549 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@H]3CCC[C@H](C(C)(C)C)CC3)ccn2)CC1 ZINC001447810414 1066864407 /nfs/dbraw/zinc/86/44/07/1066864407.db2.gz POXKRZMYEJTZML-SFTDATJTSA-N 0 0 458.647 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC001447810398 1066864426 /nfs/dbraw/zinc/86/44/26/1066864426.db2.gz PMCDNSQBMFOSMP-FQEVSTJZSA-N 0 0 459.974 4.988 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C ZINC001492705287 1066864783 /nfs/dbraw/zinc/86/47/83/1066864783.db2.gz BBPIMAMOJCGGPN-OAHLLOKOSA-N 0 0 493.837 4.571 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001492705350 1066864959 /nfs/dbraw/zinc/86/49/59/1066864959.db2.gz CUWXTDAYWRWXQP-FHWLQOOXSA-N 0 0 472.634 4.873 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1CO ZINC001447812055 1066865132 /nfs/dbraw/zinc/86/51/32/1066865132.db2.gz VKCJGPYZJWCHKJ-JQYIIUTOSA-N 0 0 450.623 4.924 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001492705616 1066865488 /nfs/dbraw/zinc/86/54/88/1066865488.db2.gz LUQNHOJFCJOHKM-OALUTQOASA-N 0 0 470.593 4.546 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(N(C)[C@@H](C)c3cc(F)ccc3F)nnc2C(C)(C)C)cn1 ZINC001492705812 1066866097 /nfs/dbraw/zinc/86/60/97/1066866097.db2.gz RTHRTCCZPZVKEN-INIZCTEOSA-N 0 0 465.552 4.989 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001492705678 1066866189 /nfs/dbraw/zinc/86/61/89/1066866189.db2.gz NXTZVMQMFCZGTA-MRXNPFEDSA-N 0 0 475.460 4.635 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1CSC)Oc1cccc(F)c1 ZINC001546000765 1066866431 /nfs/dbraw/zinc/86/64/31/1066866431.db2.gz AJESOHMTSJTOHS-SFTDATJTSA-N 0 0 455.603 4.592 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492705962 1066866841 /nfs/dbraw/zinc/86/68/41/1066866841.db2.gz YASOCMIEFOBJQG-QRVBRYPASA-N 0 0 472.634 4.873 20 0 JJADRN CNc1ncccc1C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001447831351 1066867025 /nfs/dbraw/zinc/86/70/25/1066867025.db2.gz AEBDEYKQZWGPRH-IRLDBZIGSA-N 0 0 452.599 4.502 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001492706063 1066867440 /nfs/dbraw/zinc/86/74/40/1066867440.db2.gz AZAPCTRJRNVGCP-UHFFFAOYSA-N 0 0 494.441 4.648 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706169 1066867548 /nfs/dbraw/zinc/86/75/48/1066867548.db2.gz FGRRBLQSAALCFY-IBGZPJMESA-N 0 0 454.594 4.854 20 0 JJADRN CNc1ncc(C(=O)N2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)s1 ZINC001447841308 1066867606 /nfs/dbraw/zinc/86/76/06/1066867606.db2.gz SMTNNCSXNHMWHQ-MOPGFXCFSA-N 0 0 458.628 4.563 20 0 JJADRN CNc1ncc(C(=O)N2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)s1 ZINC001447841310 1066867637 /nfs/dbraw/zinc/86/76/37/1066867637.db2.gz SMTNNCSXNHMWHQ-OALUTQOASA-N 0 0 458.628 4.563 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492706354 1066868312 /nfs/dbraw/zinc/86/83/12/1066868312.db2.gz KISHIJIVSCGXIE-GOSISDBHSA-N 0 0 479.448 4.575 20 0 JJADRN COCc1ccc(C(=O)N2CCCC[C@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC001447844960 1066868428 /nfs/dbraw/zinc/86/84/28/1066868428.db2.gz SKMYKEXALDDYAU-UNMCSNQZSA-N 0 0 456.583 4.804 20 0 JJADRN Cc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1S(=O)(=O)Nc1ccccc1F ZINC001457573870 1066868442 /nfs/dbraw/zinc/86/84/42/1066868442.db2.gz SSIQCNYZGRDGIM-UHFFFAOYSA-N 0 0 453.470 4.875 20 0 JJADRN Cc1nccn1CCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001492706469 1066868502 /nfs/dbraw/zinc/86/85/02/1066868502.db2.gz NSHQBVDZHCJCOV-QFIPXVFZSA-N 0 0 457.022 4.693 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001447846729 1066869134 /nfs/dbraw/zinc/86/91/34/1066869134.db2.gz MIIGHFBPIAAIMS-RBBKRZOGSA-N 0 0 455.396 4.720 20 0 JJADRN C[C@@H]1CCC[C@@H](NC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CC1 ZINC001447846176 1066869178 /nfs/dbraw/zinc/86/91/78/1066869178.db2.gz HMCARFRNAAHUAY-VQIMIIECSA-N 0 0 450.421 4.646 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706623 1066869193 /nfs/dbraw/zinc/86/91/93/1066869193.db2.gz SXGIIIQBMDOEGH-OAQYLSRUSA-N 0 0 484.620 4.765 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)NCc1ccc(C)cc1OCCC(C)C)N1C(=O)c2ccccc2C1=O ZINC001457576943 1066869694 /nfs/dbraw/zinc/86/96/94/1066869694.db2.gz SQHGGSCGQXRKNA-NTKDMRAZSA-N 0 0 450.579 4.747 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1coc(Sc2ncccn2)n1 ZINC001447848899 1066869757 /nfs/dbraw/zinc/86/97/57/1066869757.db2.gz URZXTUGRRBJWNU-INIZCTEOSA-N 0 0 459.369 4.520 20 0 JJADRN C[C@H]1CCCCN(C(=O)COc2c(I)cc(Cl)c3cccnc32)C1 ZINC001447851938 1066869811 /nfs/dbraw/zinc/86/98/11/1066869811.db2.gz YJTGPERBKYAJEM-LBPRGKRZSA-N 0 0 458.727 4.520 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n[nH]2)c(OC)c1 ZINC001457577717 1066869833 /nfs/dbraw/zinc/86/98/33/1066869833.db2.gz QVVLQSMCIAUXCV-UHFFFAOYSA-N 0 0 456.502 4.589 20 0 JJADRN Cc1nccn1CCCn1c(-c2cccc(Br)c2)nnc1N1CCSC(C)(C)C1 ZINC001492706972 1066870191 /nfs/dbraw/zinc/87/01/91/1066870191.db2.gz GQFFOTKPTHJMJD-UHFFFAOYSA-N 0 0 475.460 4.635 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccccc1OC(F)F)c1cccc(Cl)c1 ZINC001447856325 1066870207 /nfs/dbraw/zinc/87/02/07/1066870207.db2.gz XAPVFPBAKMYNSE-GOSISDBHSA-N 0 0 454.901 4.866 20 0 JJADRN COc1ccc(-c2ocnc2C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001457580522 1066870226 /nfs/dbraw/zinc/87/02/26/1066870226.db2.gz RLFXAMXTLIUVNV-INIZCTEOSA-N 0 0 451.523 4.866 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492707271 1066870778 /nfs/dbraw/zinc/87/07/78/1066870778.db2.gz QFIACEOQWUFHBK-QGZVFWFLSA-N 0 0 460.424 4.503 20 0 JJADRN COc1ccc(F)c2[nH]c(C(=O)NCc3cc(Br)ccc3Br)cc21 ZINC001447861986 1066870866 /nfs/dbraw/zinc/87/08/66/1066870866.db2.gz HJNUWYQAJIGYDG-UHFFFAOYSA-N 0 0 456.109 4.771 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 ZINC001492707850 1066871430 /nfs/dbraw/zinc/87/14/30/1066871430.db2.gz JFGCXALBLPPBQS-UHFFFAOYSA-N 0 0 455.360 4.532 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)n1Cc1ccccc1 ZINC001447863838 1066871706 /nfs/dbraw/zinc/87/17/06/1066871706.db2.gz HMFFOHVWTBMFKN-NRFANRHFSA-N 0 0 455.480 4.707 20 0 JJADRN Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccs1 ZINC001492707858 1066871741 /nfs/dbraw/zinc/87/17/41/1066871741.db2.gz JOWGXAYQYKLFON-UHFFFAOYSA-N 0 0 499.685 4.686 20 0 JJADRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001447866763 1066872077 /nfs/dbraw/zinc/87/20/77/1066872077.db2.gz HDGIFWNOVOFAIC-BHACFPFVSA-N 0 0 458.643 4.896 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492708390 1066872423 /nfs/dbraw/zinc/87/24/23/1066872423.db2.gz YMBUFBSQTBRFQQ-IRXDYDNUSA-N 0 0 457.420 4.785 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1C(=O)c1cccs1 ZINC001447869765 1066872791 /nfs/dbraw/zinc/87/27/91/1066872791.db2.gz TVITWCIZJIFHMA-KRWDZBQOSA-N 0 0 458.461 4.533 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](O)c2cccc(Br)c2)c2ccccc2N1Cc1ccccc1 ZINC001447869445 1066872862 /nfs/dbraw/zinc/87/28/62/1066872862.db2.gz IFKJBCSAFJUNQA-SBUREZEXSA-N 0 0 451.364 4.924 20 0 JJADRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC001447871044 1066872891 /nfs/dbraw/zinc/87/28/91/1066872891.db2.gz OCFQHEAFPINDNF-NDEPHWFRSA-N 0 0 457.574 4.805 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc4cc(Br)ccc4c3)C2)c1 ZINC001457590285 1066873376 /nfs/dbraw/zinc/87/33/76/1066873376.db2.gz RCUYRQDWEHBRCQ-OAQYLSRUSA-N 0 0 455.308 4.751 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492709476 1066873680 /nfs/dbraw/zinc/87/36/80/1066873680.db2.gz KHCCXJKPCCRLCL-BHDDXSALSA-N 0 0 472.678 4.576 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492709435 1066873694 /nfs/dbraw/zinc/87/36/94/1066873694.db2.gz IUQRNXQNCNRTOQ-HNNXBMFYSA-N 0 0 464.948 4.758 20 0 JJADRN CCCc1ccc(-c2cc(NC(=O)Cc3cccc(C)c3Br)n(CCO)n2)cc1 ZINC001457592873 1066874071 /nfs/dbraw/zinc/87/40/71/1066874071.db2.gz IVGFPOVTXGQOHI-UHFFFAOYSA-N 0 0 456.384 4.747 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(N(C)C)nc3ccccc32)c1 ZINC001457593738 1066874176 /nfs/dbraw/zinc/87/41/76/1066874176.db2.gz MIUQEYKNEBLZQO-UHFFFAOYSA-N 0 0 455.514 4.919 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC001457595290 1066874619 /nfs/dbraw/zinc/87/46/19/1066874619.db2.gz HIPUKUYWZSPVEC-BEFAXECRSA-N 0 0 458.352 4.793 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)c1 ZINC001457594599 1066874647 /nfs/dbraw/zinc/87/46/47/1066874647.db2.gz PNCFAXWVDCNGPA-UHFFFAOYSA-N 0 0 459.477 4.938 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492710024 1066874585 /nfs/dbraw/zinc/87/45/85/1066874585.db2.gz ARUMNUFMHZGPHU-AWEZNQCLSA-N 0 0 493.837 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC001447903648 1066874725 /nfs/dbraw/zinc/87/47/25/1066874725.db2.gz IIJFMLNHCWOLSX-OAQYLSRUSA-N 0 0 455.368 4.504 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1cc(F)cc(Br)c1 ZINC001447903639 1066874837 /nfs/dbraw/zinc/87/48/37/1066874837.db2.gz NABQVECVTKOZFM-XDNAFOTISA-N 0 0 455.368 4.944 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)C2)c1 ZINC001447904764 1066874846 /nfs/dbraw/zinc/87/48/46/1066874846.db2.gz LTPVDZNOFKMUNS-VGOFRKELSA-N 0 0 459.949 4.632 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492710285 1066875142 /nfs/dbraw/zinc/87/51/42/1066875142.db2.gz JUWRSRNIQQFUHB-MRXNPFEDSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001492710349 1066875358 /nfs/dbraw/zinc/87/53/58/1066875358.db2.gz MAKZGZBUISIXCI-HNNXBMFYSA-N 0 0 486.393 4.588 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492710372 1066875381 /nfs/dbraw/zinc/87/53/81/1066875381.db2.gz MWJPYTAFHWOXKV-LJQANCHMSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492710606 1066875787 /nfs/dbraw/zinc/87/57/87/1066875787.db2.gz VXDHFSHUEYQYHR-AWEZNQCLSA-N 0 0 483.336 4.533 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492710620 1066875802 /nfs/dbraw/zinc/87/58/02/1066875802.db2.gz WGTMMALATATRKF-UHFFFAOYSA-N 0 0 492.834 4.659 20 0 JJADRN O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1ncccc1Br ZINC001457606776 1066876668 /nfs/dbraw/zinc/87/66/68/1066876668.db2.gz NDPGJMLITVTZQD-UHFFFAOYSA-N 0 0 456.525 4.902 20 0 JJADRN Cc1nccn1CCn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001492711386 1066876754 /nfs/dbraw/zinc/87/67/54/1066876754.db2.gz SMMHXKLXIDGYAK-UHFFFAOYSA-N 0 0 468.621 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC001447918753 1066876815 /nfs/dbraw/zinc/87/68/15/1066876815.db2.gz ZXNQWJMRXVAPDJ-MOPGFXCFSA-N 0 0 453.505 4.681 20 0 JJADRN CC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cccc(S(N)(=O)=O)c1 ZINC001447935629 1066878162 /nfs/dbraw/zinc/87/81/62/1066878162.db2.gz BEXFMTBRBZJIJD-HNNXBMFYSA-N 0 0 457.602 4.553 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1NC(=O)OC(C)(C)C ZINC001457615012 1066879026 /nfs/dbraw/zinc/87/90/26/1066879026.db2.gz TZUCATXAALXUNX-UHFFFAOYSA-N 0 0 450.474 4.702 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492713316 1066879076 /nfs/dbraw/zinc/87/90/76/1066879076.db2.gz FWTCOVIQQDXEIM-OKILXGFUSA-N 0 0 464.923 4.806 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447943646 1066879269 /nfs/dbraw/zinc/87/92/69/1066879269.db2.gz LMUDBXKBBLIZFK-GHTZIAJQSA-N 0 0 451.350 4.915 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCCC1 ZINC001492713564 1066879732 /nfs/dbraw/zinc/87/97/32/1066879732.db2.gz NVVNCMDJDZHVSL-UHFFFAOYSA-N 0 0 455.404 4.675 20 0 JJADRN CC(C)C[C@H](CC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)NC(=O)OC(C)(C)C ZINC001447946489 1066879998 /nfs/dbraw/zinc/87/99/98/1066879998.db2.gz OHLSRBFHUJRJKR-WNYOCNMUSA-N 0 0 459.414 4.739 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492713625 1066880166 /nfs/dbraw/zinc/88/01/66/1066880166.db2.gz PRXHVLCSBYFCDX-DEOSSOPVSA-N 0 0 499.457 4.690 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001492713674 1066880184 /nfs/dbraw/zinc/88/01/84/1066880184.db2.gz RJLBHKPBRCJTJD-AWEZNQCLSA-N 0 0 473.400 4.901 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCCCC1 ZINC001492713636 1066880295 /nfs/dbraw/zinc/88/02/95/1066880295.db2.gz QDWWUPSNVSFBEV-UHFFFAOYSA-N 0 0 456.541 4.904 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@H](Cc3ccccc3)C(C)C)cs2)c1 ZINC001447949699 1066880457 /nfs/dbraw/zinc/88/04/57/1066880457.db2.gz BVQTZYGBVQXZST-IBGZPJMESA-N 0 0 451.592 4.583 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@@H](Cc3ccccc3)C(C)C)cs2)c1 ZINC001447949701 1066880489 /nfs/dbraw/zinc/88/04/89/1066880489.db2.gz BVQTZYGBVQXZST-LJQANCHMSA-N 0 0 451.592 4.583 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)n1 ZINC001457618593 1066880978 /nfs/dbraw/zinc/88/09/78/1066880978.db2.gz XANVTQJMMJEUBT-UHFFFAOYSA-N 0 0 457.777 4.725 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC2(C1)CCCCC2)NC(=O)OC(C)(C)C ZINC001546001510 1066881069 /nfs/dbraw/zinc/88/10/69/1066881069.db2.gz OIYBGJRYIMYAIU-NRFANRHFSA-N 0 0 468.646 4.728 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001492714626 1066881502 /nfs/dbraw/zinc/88/15/02/1066881502.db2.gz KMKHOKCTNKGRJI-WIOPSUGQSA-N 0 0 462.642 4.812 20 0 JJADRN Cc1ccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c(OC[C@@H]2CCOC2)c1 ZINC001457618935 1066881725 /nfs/dbraw/zinc/88/17/25/1066881725.db2.gz AYSBTPKKDBDWGC-HXUWFJFHSA-N 0 0 454.567 4.616 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)C(F)(F)F)CC1 ZINC001492715663 1066881843 /nfs/dbraw/zinc/88/18/43/1066881843.db2.gz GWCIBXZVECJWML-UHFFFAOYSA-N 0 0 479.938 4.612 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001457620082 1066882227 /nfs/dbraw/zinc/88/22/27/1066882227.db2.gz BWNZUIBHXNDEGJ-SFHVURJKSA-N 0 0 453.564 4.774 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1Cl ZINC001492716910 1066882574 /nfs/dbraw/zinc/88/25/74/1066882574.db2.gz COFOWCGQAFGPOG-UHFFFAOYSA-N 0 0 488.821 4.724 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001457621298 1066882705 /nfs/dbraw/zinc/88/27/05/1066882705.db2.gz GVNPIGCONXZMBC-BTDLBPIBSA-N 0 0 457.702 4.621 20 0 JJADRN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001447958964 1066882783 /nfs/dbraw/zinc/88/27/83/1066882783.db2.gz OSVUXKHVUGOFQL-DLBZAZTESA-N 0 0 457.596 4.590 20 0 JJADRN CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(F)(F)F)Oc1ccccc1F ZINC001546001552 1066882846 /nfs/dbraw/zinc/88/28/46/1066882846.db2.gz OZEVFLKMDFUUGO-KRWDZBQOSA-N 0 0 476.478 4.512 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOC[C@H]1CCCO1 ZINC001492716946 1066883152 /nfs/dbraw/zinc/88/31/52/1066883152.db2.gz DXYYZSSUTLISMD-XMMPIXPASA-N 0 0 494.684 4.815 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(COC(C)(C)C)on1 ZINC001492717154 1066883784 /nfs/dbraw/zinc/88/37/84/1066883784.db2.gz LFEKAZOUZVFFSM-UHFFFAOYSA-N 0 0 498.031 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)CC1 ZINC001457623031 1066883935 /nfs/dbraw/zinc/88/39/35/1066883935.db2.gz KRTGFLQMFATVFG-UHFFFAOYSA-N 0 0 453.568 4.581 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC(C)C ZINC001492717136 1066883889 /nfs/dbraw/zinc/88/38/89/1066883889.db2.gz KPHBKCCOMZJSBW-UHFFFAOYSA-N 0 0 475.435 4.509 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)c(O)c(C)c3C)c2)cc1 ZINC001447966742 1066884422 /nfs/dbraw/zinc/88/44/22/1066884422.db2.gz NZTRXVBQJDUKRJ-UHFFFAOYSA-N 0 0 454.548 4.769 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1)C1CC1 ZINC001447965476 1066884453 /nfs/dbraw/zinc/88/44/53/1066884453.db2.gz STLHQGLAEQVBAU-UHFFFAOYSA-N 0 0 456.505 4.722 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCC(C)C)CCO1 ZINC001546092968 1066884928 /nfs/dbraw/zinc/88/49/28/1066884928.db2.gz IDBNEBRTYOXJIJ-CJFMBICVSA-N 0 0 495.734 4.787 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2=O)ccc1Br ZINC001457626458 1066884944 /nfs/dbraw/zinc/88/49/44/1066884944.db2.gz VXHCBORUCSAVFF-OAHLLOKOSA-N 0 0 454.324 4.713 20 0 JJADRN O=C(Nc1nc(Sc2ccccc2)ns1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001457628017 1066884957 /nfs/dbraw/zinc/88/49/57/1066884957.db2.gz IUYDVOJBWCDNJU-UHFFFAOYSA-N 0 0 457.558 4.509 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001457627553 1066884975 /nfs/dbraw/zinc/88/49/75/1066884975.db2.gz YLPIZANEGQIYOC-NNGSBXSVSA-N 0 0 453.396 4.501 20 0 JJADRN Cc1nc([C@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cs1 ZINC001447967366 1066884978 /nfs/dbraw/zinc/88/49/78/1066884978.db2.gz CWXNSXCOGUWANA-UYAOXDASSA-N 0 0 455.580 4.997 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001546001612 1066885034 /nfs/dbraw/zinc/88/50/34/1066885034.db2.gz QLADPMOVABSGHV-GMAHTHKFSA-N 0 0 467.589 4.514 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001447971999 1066885438 /nfs/dbraw/zinc/88/54/38/1066885438.db2.gz PHEROCNHEXNDES-HXUWFJFHSA-N 0 0 459.428 4.956 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC=CCC1 ZINC001492717998 1066886087 /nfs/dbraw/zinc/88/60/87/1066886087.db2.gz ZGCFVIPBSGWIOO-PMACEKPBSA-N 0 0 452.578 4.900 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC001457631291 1066886026 /nfs/dbraw/zinc/88/60/26/1066886026.db2.gz XOFPAKKAYVWTQZ-FLIBITNWSA-N 0 0 457.368 4.738 20 0 JJADRN O=C(NC1(Cc2ccccc2)CC1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC001447975783 1066886298 /nfs/dbraw/zinc/88/62/98/1066886298.db2.gz VFLANMFDARVZMJ-UHFFFAOYSA-N 0 0 458.942 4.785 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3Br)no2)cc1OC ZINC001457631740 1066886276 /nfs/dbraw/zinc/88/62/76/1066886276.db2.gz JDWHQVOGTRFECP-UHFFFAOYSA-N 0 0 459.296 4.723 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1CCC1CCOCC1 ZINC001492718172 1066886548 /nfs/dbraw/zinc/88/65/48/1066886548.db2.gz VPKXCFRDYBTIPT-UHFFFAOYSA-N 0 0 487.446 4.511 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccs1)NC(=O)OC(C)(C)C ZINC001546001873 1066886864 /nfs/dbraw/zinc/88/68/64/1066886864.db2.gz VJFNKIPSLUEFLQ-WOJBJXKFSA-N 0 0 482.654 4.970 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC001447976412 1066886929 /nfs/dbraw/zinc/88/69/29/1066886929.db2.gz YTLUALWOOHLAFZ-INIZCTEOSA-N 0 0 452.473 4.764 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC001457631380 1066886856 /nfs/dbraw/zinc/88/68/56/1066886856.db2.gz FRLKLJAYXRYKQM-VQIMIIECSA-N 0 0 454.571 4.566 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC001457631367 1066886896 /nfs/dbraw/zinc/88/68/96/1066886896.db2.gz FRLKLJAYXRYKQM-APWZRJJASA-N 0 0 454.571 4.566 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCc2ccccc2)n1CCO[C@H]1CCCC[C@H]1C ZINC001492718322 1066886869 /nfs/dbraw/zinc/88/68/69/1066886869.db2.gz APGFMVUKQUQDKH-NLFFAJNJSA-N 0 0 464.658 4.645 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](COC)C1)Oc1ccccc1F ZINC001546001894 1066887005 /nfs/dbraw/zinc/88/70/05/1066887005.db2.gz WBVLJVOTGWJKJX-VXKWHMMOSA-N 0 0 467.589 4.514 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C ZINC001492718290 1066887269 /nfs/dbraw/zinc/88/72/69/1066887269.db2.gz ZSMXAIFJPUEALZ-JOCHJYFZSA-N 0 0 461.589 4.906 20 0 JJADRN O=C(C1=Cc2ccccc2OC1)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447981332 1066887347 /nfs/dbraw/zinc/88/73/47/1066887347.db2.gz IOUSGWJJTQEECA-HSZRJFAPSA-N 0 0 451.469 4.826 20 0 JJADRN O=C(c1ccc2[nH]c(=O)oc2c1)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447979868 1066887406 /nfs/dbraw/zinc/88/74/06/1066887406.db2.gz FIFDMPSAOAHQSP-HXUWFJFHSA-N 0 0 454.429 4.511 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001457633489 1066887527 /nfs/dbraw/zinc/88/75/27/1066887527.db2.gz LRXVTEOTJXTALI-OAQYLSRUSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCCCCC1 ZINC001492718616 1066887933 /nfs/dbraw/zinc/88/79/33/1066887933.db2.gz MFCSOYUHHWHVNF-UHFFFAOYSA-N 0 0 464.658 4.525 20 0 JJADRN O=C(Nc1nc(Sc2ccccc2)ns1)c1cnn(-c2ccccc2)c1Br ZINC001457633856 1066888024 /nfs/dbraw/zinc/88/80/24/1066888024.db2.gz WEEMQPXAMOSTLU-UHFFFAOYSA-N 0 0 458.366 4.890 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)C(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC001447982930 1066888030 /nfs/dbraw/zinc/88/80/30/1066888030.db2.gz PBCAMRINQXJVBW-UHFFFAOYSA-N 0 0 450.510 4.851 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)cs2)cc1 ZINC001457636506 1066888518 /nfs/dbraw/zinc/88/85/18/1066888518.db2.gz KVWXCLZHJPXDJA-HXUWFJFHSA-N 0 0 455.530 4.676 20 0 JJADRN O=C(N[C@@H](CCCCc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001457637589 1066889112 /nfs/dbraw/zinc/88/91/12/1066889112.db2.gz MELGWCCZMGTZHS-VWLOTQADSA-N 0 0 455.558 4.623 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001457638457 1066889342 /nfs/dbraw/zinc/88/93/42/1066889342.db2.gz PTNDVEUDRCCFIX-HXUWFJFHSA-N 0 0 456.876 4.586 20 0 JJADRN CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)CCOc2ccccc2Br)C1 ZINC001448012983 1066889774 /nfs/dbraw/zinc/88/97/74/1066889774.db2.gz AUTALMHUUBFRQS-KRWDZBQOSA-N 0 0 456.384 4.994 20 0 JJADRN CO[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1Cl ZINC001457652203 1066890165 /nfs/dbraw/zinc/89/01/65/1066890165.db2.gz NYUXDTLTJKTINN-AZUAARDMSA-N 0 0 450.938 4.591 20 0 JJADRN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001457650448 1066890387 /nfs/dbraw/zinc/89/03/87/1066890387.db2.gz ZVKNNSSSWAFYLV-UHFFFAOYSA-N 0 0 451.470 4.752 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)cnn1CCO[C@H]1CCCCO1 ZINC001457645810 1066890451 /nfs/dbraw/zinc/89/04/51/1066890451.db2.gz NXNXFHRAPWFNAE-DEOSSOPVSA-N 0 0 451.571 4.507 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492720537 1066890453 /nfs/dbraw/zinc/89/04/53/1066890453.db2.gz RJRUZWMOSHUWDQ-IAGOWNOFSA-N 0 0 480.510 4.735 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C(C)(C)C1(C)C ZINC001448017950 1066890623 /nfs/dbraw/zinc/89/06/23/1066890623.db2.gz DCFDREWEAWEOES-OAHLLOKOSA-N 0 0 454.533 4.794 20 0 JJADRN CCc1[nH]nc(NC(=O)Cc2csc(CCC(F)(F)F)n2)c1-c1ccc2c(c1)OCO2 ZINC001457657256 1066890881 /nfs/dbraw/zinc/89/08/81/1066890881.db2.gz MRWGXAKIYYWJLG-UHFFFAOYSA-N 0 0 452.458 4.500 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(OC(F)F)cc4)no3)n[nH]2)c(OC)c1 ZINC001457653756 1066890926 /nfs/dbraw/zinc/89/09/26/1066890926.db2.gz AUDNYEGZBZLMAJ-UHFFFAOYSA-N 0 0 456.405 4.603 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCC(C)(C)C1 ZINC001492720791 1066891033 /nfs/dbraw/zinc/89/10/33/1066891033.db2.gz AWHDJURRCCORTC-UHFFFAOYSA-N 0 0 475.410 4.872 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)c1 ZINC001457659620 1066891501 /nfs/dbraw/zinc/89/15/01/1066891501.db2.gz FGHKEIDTEHPDJB-VWLOTQADSA-N 0 0 455.620 4.565 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(OC)c(OC)cc2OC)c1 ZINC001457659632 1066891694 /nfs/dbraw/zinc/89/16/94/1066891694.db2.gz DUSKEOQZXFODDD-UHFFFAOYSA-N 0 0 459.502 4.826 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C(C)(C)C ZINC001448024277 1066891599 /nfs/dbraw/zinc/89/15/99/1066891599.db2.gz UVYSUQHERQCDAV-MAUKXSAKSA-N 0 0 457.537 4.730 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001492721089 1066892306 /nfs/dbraw/zinc/89/23/06/1066892306.db2.gz LLZKWHLEFSGOKC-ZIAGYGMSSA-N 0 0 475.410 4.728 20 0 JJADRN CCOc1ccc([C@H](NC(=O)CNC(=O)c2ccc(F)cc2F)c2cccc(Cl)c2)cc1 ZINC001546002241 1066892209 /nfs/dbraw/zinc/89/22/09/1066892209.db2.gz DLVQSQGEKCVUQT-QHCPKHFHSA-N 0 0 458.892 4.653 20 0 JJADRN O=C(N1CCO[C@H](c2ccc(F)cc2F)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001448028202 1066892349 /nfs/dbraw/zinc/89/23/49/1066892349.db2.gz YHOHXDPCKISQEE-UNMCSNQZSA-N 0 0 455.423 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)NC3(Cc4cccc(F)c4)CCC3)cccc2C1 ZINC001448030377 1066892897 /nfs/dbraw/zinc/89/28/97/1066892897.db2.gz UYSQBNUPCMGSST-UHFFFAOYSA-N 0 0 452.570 4.943 20 0 JJADRN CCOC(=O)[C@H]1CCCN1C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 ZINC001448030425 1066892910 /nfs/dbraw/zinc/89/29/10/1066892910.db2.gz VKEOYGIDLBGBSX-IYYMRFBLSA-N 0 0 450.560 4.790 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 ZINC001492722433 1066893825 /nfs/dbraw/zinc/89/38/25/1066893825.db2.gz BYHHYWUYKVRBJH-ZDUSSCGKSA-N 0 0 481.453 4.504 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457669137 1066893907 /nfs/dbraw/zinc/89/39/07/1066893907.db2.gz OGYSRQVXGSFKKV-JSNMRZPZSA-N 0 0 473.392 4.907 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(F)c(Br)cc1C ZINC001448053708 1066893960 /nfs/dbraw/zinc/89/39/60/1066893960.db2.gz YDNWNLDAAABEMD-QGZVFWFLSA-N 0 0 454.315 4.642 20 0 JJADRN O=C(NCC1(CCOCc2ccccc2)CC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001448053293 1066894062 /nfs/dbraw/zinc/89/40/62/1066894062.db2.gz SXPGBHBXWRSUFZ-UHFFFAOYSA-N 0 0 456.380 4.553 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC001457669720 1066894302 /nfs/dbraw/zinc/89/43/02/1066894302.db2.gz QVXMLFKFTRYWRK-CYBMUJFWSA-N 0 0 458.381 4.951 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001457670622 1066894322 /nfs/dbraw/zinc/89/43/22/1066894322.db2.gz ANEYYGVCEIUSCQ-OAQYLSRUSA-N 0 0 454.567 4.645 20 0 JJADRN Cc1cc([C@](C)(O)CNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c(C)o1 ZINC001457670494 1066894455 /nfs/dbraw/zinc/89/44/55/1066894455.db2.gz FMMQTLJSXDTJCU-JOCHJYFZSA-N 0 0 457.577 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001448055289 1066894559 /nfs/dbraw/zinc/89/45/59/1066894559.db2.gz WSNYYZSQHGOXCJ-DNVJHFABSA-N 0 0 452.595 4.623 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc21 ZINC001448056930 1066894602 /nfs/dbraw/zinc/89/46/02/1066894602.db2.gz UGYNPOCBARDJOP-UHFFFAOYSA-N 0 0 458.927 4.542 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCC(F)F)n(C)n1 ZINC001492724347 1066894834 /nfs/dbraw/zinc/89/48/34/1066894834.db2.gz ALVRCNZLHYGYJG-UHFFFAOYSA-N 0 0 460.529 4.994 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C1 ZINC001457671030 1066894996 /nfs/dbraw/zinc/89/49/96/1066894996.db2.gz TUOUABVGQNVQPV-WBVHZDCISA-N 0 0 454.564 4.831 20 0 JJADRN CC(=O)SCCCCCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001448062076 1066895162 /nfs/dbraw/zinc/89/51/62/1066895162.db2.gz PELFFVKTZAHDEH-KVDXNUTJSA-N 0 0 451.032 4.691 20 0 JJADRN CC(=O)SCCCCCCNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001448062088 1066895184 /nfs/dbraw/zinc/89/51/84/1066895184.db2.gz PELFFVKTZAHDEH-QGFLDLQWSA-N 0 0 451.032 4.691 20 0 JJADRN CC(=O)SCCCCCCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001448062092 1066895195 /nfs/dbraw/zinc/89/51/95/1066895195.db2.gz PELFFVKTZAHDEH-YXAHYSCSSA-N 0 0 451.032 4.691 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@@H](C)[C@@H]2C)n(C)n1 ZINC001492724713 1066895338 /nfs/dbraw/zinc/89/53/38/1066895338.db2.gz IQOQZJFFCHIQHG-KBPBESRZSA-N 0 0 451.427 4.672 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@H](C)[C@@H]2C)n(C)n1 ZINC001492724716 1066895444 /nfs/dbraw/zinc/89/54/44/1066895444.db2.gz IQOQZJFFCHIQHG-UONOGXRCSA-N 0 0 451.427 4.672 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)n(C)n1 ZINC001492724376 1066895496 /nfs/dbraw/zinc/89/54/96/1066895496.db2.gz BDXJGCXJHPEFPA-UHFFFAOYSA-N 0 0 475.906 4.739 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(NC(=O)c3cccc(Br)c3)c1)CO2 ZINC001457676447 1066895418 /nfs/dbraw/zinc/89/54/18/1066895418.db2.gz OEPLGIVSMPZSCJ-HXUWFJFHSA-N 0 0 451.320 4.873 20 0 JJADRN CC(=O)SCCCCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 ZINC001448064256 1066895640 /nfs/dbraw/zinc/89/56/40/1066895640.db2.gz QUBRACNPBZVGQU-UHFFFAOYSA-N 0 0 451.596 4.571 20 0 JJADRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001448068939 1066895663 /nfs/dbraw/zinc/89/56/63/1066895663.db2.gz DKOBKMCIRBFODE-UHFFFAOYSA-N 0 0 457.715 4.895 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001457681616 1066896338 /nfs/dbraw/zinc/89/63/38/1066896338.db2.gz BCFRQUQFHNOWJG-UHFFFAOYSA-N 0 0 454.596 4.605 20 0 JJADRN COC[C@@]1(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCCCN1C(=O)OC(C)(C)C ZINC001457682810 1066896352 /nfs/dbraw/zinc/89/63/52/1066896352.db2.gz RUEWDQBDHQGFGG-AREMUKBSSA-N 0 0 453.583 4.612 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H]2CC=CCC2)n(C)n1 ZINC001492727163 1066896423 /nfs/dbraw/zinc/89/64/23/1066896423.db2.gz JSHAINSBCLKJSD-SFHVURJKSA-N 0 0 485.430 4.502 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001448071297 1066896432 /nfs/dbraw/zinc/89/64/32/1066896432.db2.gz QZAJJKJOXRXWBB-KRWDZBQOSA-N 0 0 453.380 4.979 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)n(C)n1 ZINC001492727108 1066896456 /nfs/dbraw/zinc/89/64/56/1066896456.db2.gz HYZVNGWAPTYXBT-DKZVUGQWSA-N 0 0 472.584 4.763 20 0 JJADRN Cc1cc(Cn2c(CC3CCCC3)nnc2N(C)CCc2ccc(Br)cc2)n(C)n1 ZINC001492726060 1066896584 /nfs/dbraw/zinc/89/65/84/1066896584.db2.gz ZOGFTYRIYAXDBK-UHFFFAOYSA-N 0 0 471.447 4.542 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccc(C(F)(F)F)c2)n(C)n1 ZINC001492727437 1066897126 /nfs/dbraw/zinc/89/71/26/1066897126.db2.gz SQSZUYDYCYYBCW-NHCUHLMSSA-N 0 0 490.574 4.942 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(C)C)C2)n(C)n1 ZINC001492727598 1066897137 /nfs/dbraw/zinc/89/71/37/1066897137.db2.gz ZTVCUEAWRFOWAT-MRXNPFEDSA-N 0 0 463.413 4.736 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCC(C)(C)C2)n(C)n1 ZINC001492727337 1066897145 /nfs/dbraw/zinc/89/71/45/1066897145.db2.gz OYCZCPKBQFIDCV-UHFFFAOYSA-N 0 0 463.413 4.881 20 0 JJADRN C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001457684276 1066897154 /nfs/dbraw/zinc/89/71/54/1066897154.db2.gz SEUGKDUWWOWIEL-WTOYTKOKSA-N 0 0 458.002 4.907 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[C@](C)(O)c3ccccc3)C2)n1 ZINC001492728361 1066897599 /nfs/dbraw/zinc/89/75/99/1066897599.db2.gz BHDYDXPKMJANSX-NVQXNPDNSA-N 0 0 450.631 4.528 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(Br)ccc1N1CCCC1)N1Cc2ccccc2C1=O ZINC001457687697 1066897834 /nfs/dbraw/zinc/89/78/34/1066897834.db2.gz LWESKXONDAUQLC-NRFANRHFSA-N 0 0 456.384 4.668 20 0 JJADRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1c(Cl)cc(F)cc1Br ZINC001448078493 1066898254 /nfs/dbraw/zinc/89/82/54/1066898254.db2.gz RBYMKVQAJOPZLL-UHFFFAOYSA-N 0 0 455.633 4.550 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492728375 1066898197 /nfs/dbraw/zinc/89/81/97/1066898197.db2.gz BRJYLPGEPMYCRI-HSZRJFAPSA-N 0 0 464.658 4.969 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)c(N)cc2F)c1 ZINC001448087963 1066898703 /nfs/dbraw/zinc/89/87/03/1066898703.db2.gz AXBIHGJIAIGACV-MRXNPFEDSA-N 0 0 458.921 4.756 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)c2ccccc2OC)cc1 ZINC001546002698 1066898726 /nfs/dbraw/zinc/89/87/26/1066898726.db2.gz SLMUUGXHOXNJDG-XUZZJYLKSA-N 0 0 454.567 4.603 20 0 JJADRN O=C(COc1ccc(Oc2ccccc2)cc1)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001457692421 1066898928 /nfs/dbraw/zinc/89/89/28/1066898928.db2.gz MJXYBVHMERTUQT-SFHVURJKSA-N 0 0 459.464 4.844 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCSC(C)C)C2)n1 ZINC001492729391 1066899226 /nfs/dbraw/zinc/89/92/26/1066899226.db2.gz BBRSBIKNGQTMOB-IBGZPJMESA-N 0 0 460.051 4.790 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001448097881 1066899299 /nfs/dbraw/zinc/89/92/99/1066899299.db2.gz QJDYOADAIQMIGN-ZDUSSCGKSA-N 0 0 451.306 4.525 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CSc1nccn1-c1cccc(C)c1C)c1cccc(C)c1C ZINC001448097267 1066899312 /nfs/dbraw/zinc/89/93/12/1066899312.db2.gz FRSSSIOLMOOGKW-QHCPKHFHSA-N 0 0 451.592 4.619 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Br)c4)n3CCCCCO)C2)n1 ZINC001492729684 1066899332 /nfs/dbraw/zinc/89/93/32/1066899332.db2.gz HYEIIGBHNAGRMW-OAQYLSRUSA-N 0 0 487.446 4.525 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCC2(CCOCC2)CC1 ZINC001457697406 1066899334 /nfs/dbraw/zinc/89/93/34/1066899334.db2.gz SFKMSLVNVCFQRQ-HXUWFJFHSA-N 0 0 455.426 4.994 20 0 JJADRN O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001448100248 1066899413 /nfs/dbraw/zinc/89/94/13/1066899413.db2.gz OUZNZBRAWJJQOO-UHFFFAOYSA-N 0 0 454.246 4.572 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCC2(CCOCC2)CC1 ZINC001457697403 1066899496 /nfs/dbraw/zinc/89/94/96/1066899496.db2.gz SFKMSLVNVCFQRQ-FQEVSTJZSA-N 0 0 455.426 4.994 20 0 JJADRN COC(=O)CC1(CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCCCC1 ZINC001448103532 1066900044 /nfs/dbraw/zinc/90/00/44/1066900044.db2.gz ZIQWMXWFOPBKDZ-UHFFFAOYSA-N 0 0 454.258 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccc(Br)o3)no2)CC1 ZINC001457701692 1066900062 /nfs/dbraw/zinc/90/00/62/1066900062.db2.gz GMWDZLKBBKNIJW-GFCCVEGCSA-N 0 0 454.321 4.673 20 0 JJADRN C[C@](O)(CCNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccccc1 ZINC001448109356 1066900510 /nfs/dbraw/zinc/90/05/10/1066900510.db2.gz HBNVHAZDNLGDIE-UPVQGACJSA-N 0 0 454.364 4.983 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCC[C@](C)(O)c2ccccc2)cc1 ZINC001448108344 1066900534 /nfs/dbraw/zinc/90/05/34/1066900534.db2.gz FBPWOUWWHMOPDY-NDEPHWFRSA-N 0 0 455.558 4.504 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)nc2ccccc21 ZINC001457707194 1066900917 /nfs/dbraw/zinc/90/09/17/1066900917.db2.gz CETRTGRDJWZTSI-UHFFFAOYSA-N 0 0 454.408 4.509 20 0 JJADRN CC(=O)c1sc(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)nc1-c1ccccc1 ZINC001448109686 1066900871 /nfs/dbraw/zinc/90/08/71/1066900871.db2.gz IYLSMNKCFUNZQM-GOSISDBHSA-N 0 0 455.483 4.556 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC[C@](C)(O)c2ccccc2)c1 ZINC001448111246 1066900992 /nfs/dbraw/zinc/90/09/92/1066900992.db2.gz NKVSYUVKLWKUEP-NDEPHWFRSA-N 0 0 455.558 4.884 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448115630 1066901527 /nfs/dbraw/zinc/90/15/27/1066901527.db2.gz FDKJOWKFRZPOML-QRWLVFNGSA-N 0 0 450.526 4.731 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001457709081 1066901425 /nfs/dbraw/zinc/90/14/25/1066901425.db2.gz CUHCPZXMFCISIN-UHFFFAOYSA-N 0 0 453.296 4.632 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC001457710381 1066901737 /nfs/dbraw/zinc/90/17/37/1066901737.db2.gz DDJVRENNOIMODY-ROUUACIJSA-N 0 0 457.665 4.797 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3CC(F)(F)F)C2)n1 ZINC001492731172 1066901877 /nfs/dbraw/zinc/90/18/77/1066901877.db2.gz NABDSXZLZAMQGJ-INIZCTEOSA-N 0 0 485.967 4.836 20 0 JJADRN C[C@H](CC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC001457711496 1066902054 /nfs/dbraw/zinc/90/20/54/1066902054.db2.gz LDOHEWGFHAWJRY-MRXNPFEDSA-N 0 0 452.507 4.749 20 0 JJADRN COCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC001457711639 1066902089 /nfs/dbraw/zinc/90/20/89/1066902089.db2.gz NFXFGDXPPFHYFK-MRXNPFEDSA-N 0 0 450.988 4.610 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(OCC(F)(F)F)o1 ZINC001457712490 1066902184 /nfs/dbraw/zinc/90/21/84/1066902184.db2.gz NSHQDZPKBPSCRP-UHFFFAOYSA-N 0 0 458.190 4.818 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCS(=O)(=O)c2ccccc2C1)c1ccccc1 ZINC001448125463 1066902341 /nfs/dbraw/zinc/90/23/41/1066902341.db2.gz YGDZJVXSERHSPB-QHCPKHFHSA-N 0 0 455.963 4.585 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3Cl)nc2c1 ZINC001448125862 1066902468 /nfs/dbraw/zinc/90/24/68/1066902468.db2.gz SGFGOLYOCKWOSO-ZDUSSCGKSA-N 0 0 458.946 4.992 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOC(C)(C)C ZINC001492731386 1066902471 /nfs/dbraw/zinc/90/24/71/1066902471.db2.gz SECIVPWBHAQJFI-DEOSSOPVSA-N 0 0 480.657 4.681 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC[C@H]2CCO[C@@H](C)C2)n1 ZINC001492731464 1066902790 /nfs/dbraw/zinc/90/27/90/1066902790.db2.gz AQRHAANZAWSALE-SFLYRZDNSA-N 0 0 480.657 4.508 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3c(F)cc(F)c(F)c3F)C2)n1 ZINC001492731610 1066902843 /nfs/dbraw/zinc/90/28/43/1066902843.db2.gz VOGWYTSAHLUOJO-INIZCTEOSA-N 0 0 464.511 4.736 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(NC(=O)C2CC2)s1 ZINC001457714453 1066902894 /nfs/dbraw/zinc/90/28/94/1066902894.db2.gz VEISHSBIJJARFO-UHFFFAOYSA-N 0 0 459.325 4.694 20 0 JJADRN COc1ccc(CCC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1OC ZINC001457715911 1066903282 /nfs/dbraw/zinc/90/32/82/1066903282.db2.gz YQPBPZNAZUTZOV-UHFFFAOYSA-N 0 0 458.312 4.620 20 0 JJADRN CCc1c(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)nnn1Cc1ccc(F)cc1 ZINC001457715231 1066903294 /nfs/dbraw/zinc/90/32/94/1066903294.db2.gz RZIAVNVJCFLSNY-UHFFFAOYSA-N 0 0 458.362 4.814 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCCOCC(C)C)C2)n1 ZINC001492731532 1066903327 /nfs/dbraw/zinc/90/33/27/1066903327.db2.gz UHMDYYNUURIJJV-VWLOTQADSA-N 0 0 464.658 4.895 20 0 JJADRN COc1ccc2c(O)c(C(=O)NCC3(c4cccc(Br)c4)CCCC3)cnc2c1 ZINC001457716179 1066903350 /nfs/dbraw/zinc/90/33/50/1066903350.db2.gz IUSHUNMRVFMYJI-UHFFFAOYSA-N 0 0 455.352 4.541 20 0 JJADRN Cc1cc(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cnc1N1CCCC[C@H]1C ZINC001457715811 1066903451 /nfs/dbraw/zinc/90/34/51/1066903451.db2.gz ISOLXMLQCNCJGX-OAHLLOKOSA-N 0 0 457.003 4.608 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546002966 1066903493 /nfs/dbraw/zinc/90/34/93/1066903493.db2.gz AZBKSLRAKVZVBZ-RBUKOAKNSA-N 0 0 471.627 4.821 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1Cc2ccc(Br)cc2C1)NC(=O)OC(C)(C)C ZINC001546002961 1066903567 /nfs/dbraw/zinc/90/35/67/1066903567.db2.gz AXQFHBWWRSRCJV-LJQANCHMSA-N 0 0 490.446 4.817 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546002964 1066903637 /nfs/dbraw/zinc/90/36/37/1066903637.db2.gz AZBKSLRAKVZVBZ-MOPGFXCFSA-N 0 0 471.627 4.821 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)cc1 ZINC001448132302 1066904025 /nfs/dbraw/zinc/90/40/25/1066904025.db2.gz UNRQCENPGIFYGT-UHFFFAOYSA-N 0 0 451.401 4.829 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546003024 1066904060 /nfs/dbraw/zinc/90/40/60/1066904060.db2.gz BYJZIUPLIJQBFC-MSOLQXFVSA-N 0 0 486.642 4.524 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1Br ZINC001448133019 1066904091 /nfs/dbraw/zinc/90/40/91/1066904091.db2.gz GGCFIBBVIWQBHU-HNNXBMFYSA-N 0 0 458.125 4.641 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2C[C@H](C)c2nccs2)n1 ZINC001492732261 1066904791 /nfs/dbraw/zinc/90/47/91/1066904791.db2.gz MEVXJEWZYZHRFY-WMLDXEAASA-N 0 0 471.581 4.876 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCc1nnc(C2CC2)o1 ZINC001448152853 1066904686 /nfs/dbraw/zinc/90/46/86/1066904686.db2.gz CKGSJXIBIRJMBG-UHFFFAOYSA-N 0 0 453.490 4.524 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2)n1 ZINC001457724028 1066904790 /nfs/dbraw/zinc/90/47/90/1066904790.db2.gz LHNMLQRRKHVZPA-SFHVURJKSA-N 0 0 453.564 4.774 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCC(O)(c4c(F)cccc4F)CC3)oc21 ZINC001448153995 1066904729 /nfs/dbraw/zinc/90/47/29/1066904729.db2.gz JTMXHMIIFSGWKO-UHFFFAOYSA-N 0 0 450.279 4.906 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC001492732462 1066905044 /nfs/dbraw/zinc/90/50/44/1066905044.db2.gz PAZSNHPRYKPJLS-KJWPAHLWSA-N 0 0 468.621 4.927 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457725497 1066905074 /nfs/dbraw/zinc/90/50/74/1066905074.db2.gz DSQLRFDAOHMHBM-GBXCKJPGSA-N 0 0 456.949 4.545 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC2(CC(C)C)CC2)n1 ZINC001492732526 1066905085 /nfs/dbraw/zinc/90/50/85/1066905085.db2.gz QRTPGAOYZHLNSH-OAQYLSRUSA-N 0 0 498.697 4.567 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@](C)(O)C2CCCCC2)n1 ZINC001492732420 1066905305 /nfs/dbraw/zinc/90/53/05/1066905305.db2.gz OMEYYDBWCPSHTL-YADARESESA-N 0 0 456.660 4.730 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](C)N(C)c2ccccc2)n1 ZINC001492732604 1066905581 /nfs/dbraw/zinc/90/55/81/1066905581.db2.gz SCHBOSUKDUKRNK-NHCUHLMSSA-N 0 0 463.655 4.924 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2ccc([C@@H](C)O)cc2)n1 ZINC001492732627 1066905732 /nfs/dbraw/zinc/90/57/32/1066905732.db2.gz SFENQAVFOQTLPU-RBUKOAKNSA-N 0 0 450.612 4.500 20 0 JJADRN CCOC1CC2(C[C@@H]2C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC001448173284 1066906539 /nfs/dbraw/zinc/90/65/39/1066906539.db2.gz MKFZPLJNGVLBGU-VZDIDWBNSA-N 0 0 451.407 4.829 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@H]1Oc1ccccc1 ZINC001448169179 1066906552 /nfs/dbraw/zinc/90/65/52/1066906552.db2.gz YHSUIQIWSOSUDC-CQOQZXRMSA-N 0 0 453.970 4.556 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492733618 1066907422 /nfs/dbraw/zinc/90/74/22/1066907422.db2.gz OLKBUQAITOCEOR-LPHOPBHVSA-N 0 0 455.676 4.957 20 0 JJADRN CN1CCOc2cc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)ccc21 ZINC001448186045 1066907754 /nfs/dbraw/zinc/90/77/54/1066907754.db2.gz BDMRZTRWCFMQMW-UXHICEINSA-N 0 0 471.985 4.758 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)n1 ZINC001492734203 1066907817 /nfs/dbraw/zinc/90/78/17/1066907817.db2.gz FSYVBVWHXVVYMB-KRWDZBQOSA-N 0 0 483.542 4.842 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC001457738298 1066907855 /nfs/dbraw/zinc/90/78/55/1066907855.db2.gz LXAWLMIDIADALT-PZJWPPBQSA-N 0 0 458.942 4.540 20 0 JJADRN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC001448187431 1066908031 /nfs/dbraw/zinc/90/80/31/1066908031.db2.gz HVYKVDQPURVXRA-QFIPXVFZSA-N 0 0 451.567 4.615 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001448186555 1066908101 /nfs/dbraw/zinc/90/81/01/1066908101.db2.gz OCFSYMAEUPUFTQ-VQTJNVASSA-N 0 0 453.633 4.881 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492735004 1066908219 /nfs/dbraw/zinc/90/82/19/1066908219.db2.gz HAZZOGLKSGJBJL-HYBUGGRVSA-N 0 0 472.584 4.506 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@H](C)Sc2ccccc2)n1 ZINC001492735009 1066908357 /nfs/dbraw/zinc/90/83/57/1066908357.db2.gz HGCSYDNYPDAGEM-SFHVURJKSA-N 0 0 465.627 4.562 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC001448191505 1066908451 /nfs/dbraw/zinc/90/84/51/1066908451.db2.gz APAMFFUTTDLBKX-RDTXWAMCSA-N 0 0 455.190 4.630 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2CCC(=O)Nc2cccc(Cl)c2C)n1 ZINC001492735159 1066908495 /nfs/dbraw/zinc/90/84/95/1066908495.db2.gz LVFOOMAZDYEAJW-UHFFFAOYSA-N 0 0 496.015 4.668 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003451 1066908897 /nfs/dbraw/zinc/90/88/97/1066908897.db2.gz JQVFULAIOHMLGN-UGKGYDQZSA-N 0 0 496.656 4.515 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)OC ZINC001546003402 1066908933 /nfs/dbraw/zinc/90/89/33/1066908933.db2.gz IURMEEZINBOLHN-FQEVSTJZSA-N 0 0 479.572 4.701 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC001457742903 1066908935 /nfs/dbraw/zinc/90/89/35/1066908935.db2.gz CTGZPZWKNGBYDJ-DVECYGJZSA-N 0 0 456.533 4.726 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001492735260 1066909077 /nfs/dbraw/zinc/90/90/77/1066909077.db2.gz PPLWTHBPEFRTRJ-HSZRJFAPSA-N 0 0 482.032 4.634 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@H]2CCC[C@H]2C)n1 ZINC001492735610 1066909402 /nfs/dbraw/zinc/90/94/02/1066909402.db2.gz CHOXXMLBOLRDAT-RHSMWYFYSA-N 0 0 461.408 4.568 20 0 JJADRN Cc1c(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)sc2nc(C)nc(N)c12 ZINC001448203379 1066909730 /nfs/dbraw/zinc/90/97/30/1066909730.db2.gz XPLQVKKGLCMRDK-UHFFFAOYSA-N 0 0 459.413 4.847 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)s3)n2Cc2c(C)coc2C)n1 ZINC001492736046 1066909847 /nfs/dbraw/zinc/90/98/47/1066909847.db2.gz SEVOHGPPSDTHBQ-UHFFFAOYSA-N 0 0 489.443 4.858 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)Oc1cccc(F)c1 ZINC001546003669 1066910291 /nfs/dbraw/zinc/91/02/91/1066910291.db2.gz NTNHWNQSQIQEMY-UGKGYDQZSA-N 0 0 499.656 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCc2ccsc2)n1 ZINC001492735753 1066910232 /nfs/dbraw/zinc/91/02/32/1066910232.db2.gz ICBBIHXQUVDVGR-UHFFFAOYSA-N 0 0 458.994 4.873 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N(C)Cc1cc(Cl)cn1C ZINC001457748422 1066910236 /nfs/dbraw/zinc/91/02/36/1066910236.db2.gz KUUGCTYZOXVQPY-AWEZNQCLSA-N 0 0 458.771 4.901 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC001457748322 1066910244 /nfs/dbraw/zinc/91/02/44/1066910244.db2.gz HHNIBRYAFZVRHJ-RTBURBONSA-N 0 0 453.341 4.917 20 0 JJADRN CCc1c(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)nnn1Cc1ccc(F)cc1 ZINC001457748688 1066910261 /nfs/dbraw/zinc/91/02/61/1066910261.db2.gz ASSOJPMODDAFLW-UHFFFAOYSA-N 0 0 454.556 4.591 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2Cc2cnc(C)s2)n1 ZINC001492735721 1066910323 /nfs/dbraw/zinc/91/03/23/1066910323.db2.gz HBHWMJZXAIVXOR-UHFFFAOYSA-N 0 0 475.544 4.608 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c1 ZINC001448222457 1066910560 /nfs/dbraw/zinc/91/05/60/1066910560.db2.gz DPRLQJMXMHHYCL-UHFFFAOYSA-N 0 0 455.780 4.566 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)s3)n2Cc2cccs2)n1 ZINC001492736137 1066910673 /nfs/dbraw/zinc/91/06/73/1066910673.db2.gz VPVFFCJGYWUPEU-UHFFFAOYSA-N 0 0 477.457 4.710 20 0 JJADRN CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001457750656 1066910616 /nfs/dbraw/zinc/91/06/16/1066910616.db2.gz QWNXWSVXRLYLNB-ZDUSSCGKSA-N 0 0 456.167 4.767 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@H](C)c2nccs2)n1 ZINC001492736130 1066910699 /nfs/dbraw/zinc/91/06/99/1066910699.db2.gz VKGOVPFZENDHRT-OAHLLOKOSA-N 0 0 487.580 4.638 20 0 JJADRN CC(C)n1ncc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c1I ZINC001457751547 1066911082 /nfs/dbraw/zinc/91/10/82/1066911082.db2.gz TYPPXCFEXQLIDI-UHFFFAOYSA-N 0 0 452.123 4.648 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001457751185 1066911202 /nfs/dbraw/zinc/91/12/02/1066911202.db2.gz UTTRZFYLUFKWOK-NRFANRHFSA-N 0 0 458.534 4.708 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492736296 1066911141 /nfs/dbraw/zinc/91/11/41/1066911141.db2.gz BJSROCATSVHVRD-ILBGXUMGSA-N 0 0 450.631 4.536 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Br)n2CCC2(C)CC2)n1 ZINC001492736270 1066911254 /nfs/dbraw/zinc/91/12/54/1066911254.db2.gz ATZLSLKZEUJMTF-UHFFFAOYSA-N 0 0 457.420 4.729 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546003848 1066911265 /nfs/dbraw/zinc/91/12/65/1066911265.db2.gz RFSQBZSPMLRMLY-LEWJYISDSA-N 0 0 496.656 4.659 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001546003808 1066911361 /nfs/dbraw/zinc/91/13/61/1066911361.db2.gz QOKCKIBOENAFIH-APWZRJJASA-N 0 0 484.519 4.695 20 0 JJADRN O=C(Nc1cc(I)ccc1Cl)c1ccc(OCC(F)(F)F)nc1 ZINC001457752136 1066911456 /nfs/dbraw/zinc/91/14/56/1066911456.db2.gz GCQSDGBZBSXLBW-UHFFFAOYSA-N 0 0 456.589 4.533 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001492736806 1066911936 /nfs/dbraw/zinc/91/19/36/1066911936.db2.gz UDMHWAUPKORCPR-JXFKEZNVSA-N 0 0 458.557 4.814 20 0 JJADRN O=C(NCC1CC(c2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001448231506 1066912100 /nfs/dbraw/zinc/91/21/00/1066912100.db2.gz WKKPSXFQLNUVOR-UHFFFAOYSA-N 0 0 456.514 4.689 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492736953 1066912112 /nfs/dbraw/zinc/91/21/12/1066912112.db2.gz ZNHQJEUCJMQDOB-QHCPKHFHSA-N 0 0 461.589 4.750 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(OC[C@H]2CCCO2)c1 ZINC001457753559 1066912293 /nfs/dbraw/zinc/91/22/93/1066912293.db2.gz HVRQYINUPCZEAL-LJQANCHMSA-N 0 0 458.530 4.969 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492737060 1066912367 /nfs/dbraw/zinc/91/23/67/1066912367.db2.gz DESFPCWAXSGTKR-VWNXMTODSA-N 0 0 494.688 4.531 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233368 1066912687 /nfs/dbraw/zinc/91/26/87/1066912687.db2.gz BIXASKHHIXAIAS-IIBYNOLFSA-N 0 0 451.394 4.549 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCSC(F)(F)F)n1 ZINC001492737497 1066912701 /nfs/dbraw/zinc/91/27/01/1066912701.db2.gz UYKLCCIIEYCIFY-UHFFFAOYSA-N 0 0 499.510 4.504 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(OC)c1 ZINC001448233072 1066912784 /nfs/dbraw/zinc/91/27/84/1066912784.db2.gz GDPNBYSVYHADTI-WIYYLYMNSA-N 0 0 460.615 4.726 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001457758983 1066913131 /nfs/dbraw/zinc/91/31/31/1066913131.db2.gz CQDUWDDXOIYMSU-DQEYMECFSA-N 0 0 458.558 4.701 20 0 JJADRN COC(CCCC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)OC ZINC001457759459 1066913467 /nfs/dbraw/zinc/91/34/67/1066913467.db2.gz FHBUKTCAPNZBMA-OAQYLSRUSA-N 0 0 454.611 4.624 20 0 JJADRN COc1ccc(C(=O)O[C@@H](C)c2ccc(C)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001457759633 1066913486 /nfs/dbraw/zinc/91/34/86/1066913486.db2.gz KGHFWKPIFYPEKM-IBGZPJMESA-N 0 0 453.560 4.742 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)n1 ZINC001492739007 1066913559 /nfs/dbraw/zinc/91/35/59/1066913559.db2.gz RCTPUSKJHRRWTJ-ZCYQVOJMSA-N 0 0 450.631 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC001492739006 1066913646 /nfs/dbraw/zinc/91/36/46/1066913646.db2.gz RCTPUSKJHRRWTJ-UKILVPOCSA-N 0 0 450.631 4.790 20 0 JJADRN CCc1c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)onc1C(F)(F)F ZINC001457763495 1066914072 /nfs/dbraw/zinc/91/40/72/1066914072.db2.gz UNDBWRFMGILPDU-UHFFFAOYSA-N 0 0 453.442 4.617 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@](F)(c4ccccc4)C3)ccc2C)c1 ZINC001448239038 1066914140 /nfs/dbraw/zinc/91/41/40/1066914140.db2.gz DADILDXTCRITPP-VWLOTQADSA-N 0 0 452.551 4.815 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC3CCOCC3)n2CC(C)(C)c2cccc(F)c2)n1 ZINC001492739572 1066914457 /nfs/dbraw/zinc/91/44/57/1066914457.db2.gz NNRCFRMUXZZTQX-UHFFFAOYSA-N 0 0 468.621 4.510 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@H](C)c2ncc(C)s2)n1 ZINC001492739666 1066914479 /nfs/dbraw/zinc/91/44/79/1066914479.db2.gz QFUVNMNNGUUNPU-SFHVURJKSA-N 0 0 463.655 4.777 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 ZINC001457768311 1066914807 /nfs/dbraw/zinc/91/48/07/1066914807.db2.gz GTPYNMOSQKRPTQ-UHFFFAOYSA-N 0 0 457.600 4.545 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ncnc3sccc32)c1 ZINC001457768247 1066914817 /nfs/dbraw/zinc/91/48/17/1066914817.db2.gz YRKJLURPETVTPR-UHFFFAOYSA-N 0 0 456.936 4.930 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3cccc4c(Br)cccc34)C2)cc1F ZINC001448246860 1066914846 /nfs/dbraw/zinc/91/48/46/1066914846.db2.gz YAGHRXOAIIFFDK-AWEZNQCLSA-N 0 0 457.299 4.673 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 ZINC001457771124 1066915140 /nfs/dbraw/zinc/91/51/40/1066915140.db2.gz BEUBSHFHVLFUAH-YLJYHZDGSA-N 0 0 455.769 4.894 20 0 JJADRN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457771522 1066915177 /nfs/dbraw/zinc/91/51/77/1066915177.db2.gz CBDVHYVHBGOUFT-GFCCVEGCSA-N 0 0 459.123 4.778 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)OC(C)C ZINC001457769522 1066915251 /nfs/dbraw/zinc/91/52/51/1066915251.db2.gz LXSHVPQTDXAHEP-VWLOTQADSA-N 0 0 459.546 4.818 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CCC2=CCCCC2)n1 ZINC001492740182 1066915376 /nfs/dbraw/zinc/91/53/76/1066915376.db2.gz KPEWYZOCSGXSEM-UHFFFAOYSA-N 0 0 452.578 4.685 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492740157 1066915445 /nfs/dbraw/zinc/91/54/45/1066915445.db2.gz JWTYMSXTYMEFHF-XLIONFOSSA-N 0 0 457.022 4.745 20 0 JJADRN CCOc1ccc(SCC(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1 ZINC001457771744 1066915575 /nfs/dbraw/zinc/91/55/75/1066915575.db2.gz WNBNAKHXCFZVIF-UHFFFAOYSA-N 0 0 454.577 4.917 20 0 JJADRN C[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)C(=O)c1cccc(F)c1 ZINC001457771435 1066915649 /nfs/dbraw/zinc/91/56/49/1066915649.db2.gz UWLQDGUMVOKGPM-ZDUSSCGKSA-N 0 0 452.511 4.774 20 0 JJADRN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457771529 1066915656 /nfs/dbraw/zinc/91/56/56/1066915656.db2.gz CBDVHYVHBGOUFT-LBPRGKRZSA-N 0 0 459.123 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492740518 1066915739 /nfs/dbraw/zinc/91/57/39/1066915739.db2.gz YJLJADWBYUKBOS-XLIONFOSSA-N 0 0 457.022 4.745 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 ZINC001546004124 1066915837 /nfs/dbraw/zinc/91/58/37/1066915837.db2.gz WRRWMEVVACAQPF-HKUYNNGSSA-N 0 0 492.615 4.900 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1c(F)cccc1F ZINC001457773007 1066915983 /nfs/dbraw/zinc/91/59/83/1066915983.db2.gz JRRKPWLRAYEKMC-AUUYWEPGSA-N 0 0 457.304 4.519 20 0 JJADRN Cc1c2cc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)[nH]c2ccc1Br ZINC001448290967 1066916031 /nfs/dbraw/zinc/91/60/31/1066916031.db2.gz CNPAGGTVPLSSRB-NRFANRHFSA-N 0 0 450.377 4.616 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001492740798 1066916174 /nfs/dbraw/zinc/91/61/74/1066916174.db2.gz ILNUBZLGDFYVKI-UHFFFAOYSA-N 0 0 497.644 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2nccc(Cl)c2F)[C@H](c2cccc(Cl)c2)C1 ZINC001448292735 1066916498 /nfs/dbraw/zinc/91/64/98/1066916498.db2.gz HRXQEZDBWBTWFN-INIZCTEOSA-N 0 0 454.329 4.962 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492741098 1066916635 /nfs/dbraw/zinc/91/66/35/1066916635.db2.gz SCWXESCLIQQJBM-QFIPXVFZSA-N 0 0 499.660 4.697 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2cccc(C(C)(F)F)c2)n1 ZINC001492741187 1066916651 /nfs/dbraw/zinc/91/66/51/1066916651.db2.gz VDFWGWHFUSBKIE-UHFFFAOYSA-N 0 0 472.584 4.694 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCC[C@H]3C)c2)cc1 ZINC001448298584 1066916604 /nfs/dbraw/zinc/91/66/04/1066916604.db2.gz DQYYCXVZJISVRQ-HZPDHXFCSA-N 0 0 450.988 4.706 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)[nH]c21 ZINC001448295828 1066916806 /nfs/dbraw/zinc/91/68/06/1066916806.db2.gz MPWXMJZQRDBJIU-OAQYLSRUSA-N 0 0 450.377 4.616 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492741523 1066917033 /nfs/dbraw/zinc/91/70/33/1066917033.db2.gz BPYGTQWTUHIMEM-AEFFLSMTSA-N 0 0 490.578 4.681 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)n1 ZINC001492741221 1066917121 /nfs/dbraw/zinc/91/71/21/1066917121.db2.gz VXDXWMFMUCLDKU-CVDCTZTESA-N 0 0 499.704 4.800 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)n1 ZINC001492741222 1066917173 /nfs/dbraw/zinc/91/71/73/1066917173.db2.gz VXDXWMFMUCLDKU-WMZHIEFXSA-N 0 0 499.704 4.800 20 0 JJADRN COc1ccc(C=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 ZINC001448307208 1066917316 /nfs/dbraw/zinc/91/73/16/1066917316.db2.gz XJFNQIFIISCVCO-FQEVSTJZSA-N 0 0 458.942 4.595 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCc2ccccc2OC(F)F)n1 ZINC001492741759 1066917570 /nfs/dbraw/zinc/91/75/70/1066917570.db2.gz GOFWOXOCOCRQCD-KRWDZBQOSA-N 0 0 472.584 4.856 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC001448341617 1066917663 /nfs/dbraw/zinc/91/76/63/1066917663.db2.gz DXZKQYQVZOASPU-UHFFFAOYSA-N 0 0 459.362 4.673 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3ccc4ccc(Cl)cc4n3)cs2)c1 ZINC001448340172 1066917670 /nfs/dbraw/zinc/91/76/70/1066917670.db2.gz CEFYNEQVEPVTHY-UHFFFAOYSA-N 0 0 452.923 4.792 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(C)c(Br)c1 ZINC001457779328 1066917827 /nfs/dbraw/zinc/91/78/27/1066917827.db2.gz BJZAMGAPRMPOJC-KRWDZBQOSA-N 0 0 459.167 4.969 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccccc2OC(F)(F)F)n1 ZINC001492742094 1066917918 /nfs/dbraw/zinc/91/79/18/1066917918.db2.gz LPUHHLWSYJLHBW-HOTGVXAUSA-N 0 0 462.520 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492742176 1066918019 /nfs/dbraw/zinc/91/80/19/1066918019.db2.gz NFIVZMLUTCYXEV-DOTOQJQBSA-N 0 0 462.520 4.711 20 0 JJADRN O=C(Nc1cc(-c2ccccc2F)on1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001457777954 1066917950 /nfs/dbraw/zinc/91/79/50/1066917950.db2.gz WPPNZAIBIKVPKD-UHFFFAOYSA-N 0 0 451.767 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)sc2C1 ZINC001457780936 1066918280 /nfs/dbraw/zinc/91/82/80/1066918280.db2.gz YJXLGNOFJUSMRL-UHFFFAOYSA-N 0 0 456.593 4.768 20 0 JJADRN COc1cc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c(C)cc1C ZINC001448349581 1066918616 /nfs/dbraw/zinc/91/86/16/1066918616.db2.gz JAQNSENNNWAHOT-UHFFFAOYSA-N 0 0 459.395 4.805 20 0 JJADRN Cc1cc(CNC(=O)C[C@H](c2cccs2)n2cccc2)ccc1I ZINC001457782435 1066918903 /nfs/dbraw/zinc/91/89/03/1066918903.db2.gz YKLHGFCEAFBZCG-QGZVFWFLSA-N 0 0 450.345 4.759 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001492743092 1066918845 /nfs/dbraw/zinc/91/88/45/1066918845.db2.gz LUZQGPHJACHFSR-UHFFFAOYSA-N 0 0 498.912 4.710 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2F)n1 ZINC001492743171 1066918915 /nfs/dbraw/zinc/91/89/15/1066918915.db2.gz NFLFJOGONCLVJZ-PMACEKPBSA-N 0 0 454.594 4.619 20 0 JJADRN CCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)[nH]c(C)c1C(C)=O ZINC001448354465 1066919065 /nfs/dbraw/zinc/91/90/65/1066919065.db2.gz NKPQGIRKLIUWBO-HXUWFJFHSA-N 0 0 457.546 4.661 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c3nc[nH]c3ccc2F)cc1 ZINC001448354262 1066919124 /nfs/dbraw/zinc/91/91/24/1066919124.db2.gz MPPILEZTTXVFLB-FQEVSTJZSA-N 0 0 452.530 4.699 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C)CC3)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492743977 1066919384 /nfs/dbraw/zinc/91/93/84/1066919384.db2.gz CTFUVVMWBNSDNT-UHFFFAOYSA-N 0 0 490.578 4.682 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)cc1C ZINC001448357868 1066919517 /nfs/dbraw/zinc/91/95/17/1066919517.db2.gz RFEBJRILARXLST-HXUWFJFHSA-N 0 0 459.974 4.746 20 0 JJADRN O=C(Nc1cc(O)c(Br)cc1Br)[C@@H]1CCN(c2ccccc2F)C1 ZINC001457786771 1066919719 /nfs/dbraw/zinc/91/97/19/1066919719.db2.gz LYFHNDVWWPRZMD-SNVBAGLBSA-N 0 0 458.125 4.521 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cnn1-c1cccc(Cl)c1 ZINC001457786962 1066919750 /nfs/dbraw/zinc/91/97/50/1066919750.db2.gz BIKKNCNUWLYFEW-QHCPKHFHSA-N 0 0 451.954 4.661 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@H]2CCCC[C@H]2C)n1 ZINC001492744444 1066920033 /nfs/dbraw/zinc/92/00/33/1066920033.db2.gz OVQMMEVSGUWHBM-UZLBHIALSA-N 0 0 468.568 4.514 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCCC(C)(C)C)n1 ZINC001492744663 1066920660 /nfs/dbraw/zinc/92/06/60/1066920660.db2.gz VLHDCCWJABUTDY-UHFFFAOYSA-N 0 0 487.693 4.850 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2COc3ccc(Cl)cc32)[C@@H]1c1ccc(OC)cc1 ZINC001457789022 1066920633 /nfs/dbraw/zinc/92/06/33/1066920633.db2.gz LBTHOLFAGLAKSE-PTLVVNQVSA-N 0 0 456.970 4.678 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCSC3)c2)cc1 ZINC001457789626 1066921097 /nfs/dbraw/zinc/92/10/97/1066921097.db2.gz VNWPWHAASQSTHE-QGZVFWFLSA-N 0 0 453.029 4.719 20 0 JJADRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(OC(F)F)c(Br)c1 ZINC001448382365 1066921252 /nfs/dbraw/zinc/92/12/52/1066921252.db2.gz YVVNOOSANACJSG-WMZOPIPTSA-N 0 0 456.283 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001448380666 1066921302 /nfs/dbraw/zinc/92/13/02/1066921302.db2.gz BODVNFFBHQKTME-ULQDDVLXSA-N 0 0 457.398 4.772 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCOc2ccccc2Cl)n1 ZINC001492745741 1066921445 /nfs/dbraw/zinc/92/14/45/1066921445.db2.gz WLLGDNLFFQGXDE-HXUWFJFHSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCC2CCCC2)n1 ZINC001492746390 1066921671 /nfs/dbraw/zinc/92/16/71/1066921671.db2.gz QVWOBXUBIIXUAS-QHCPKHFHSA-N 0 0 499.704 4.803 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2CCSC2(C)C)n1 ZINC001492746048 1066921726 /nfs/dbraw/zinc/92/17/26/1066921726.db2.gz GLBHGCQBDUMJGE-HNNXBMFYSA-N 0 0 455.459 4.571 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CC[C@](F)(c3ccccc3C)C2)[C@@H]1c1ccc(OC)cc1 ZINC001448387860 1066922037 /nfs/dbraw/zinc/92/20/37/1066922037.db2.gz KKVXQTASMNEGKO-RIACCQAKSA-N 0 0 452.570 4.791 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCOc2ccccc2C(C)C)n1 ZINC001492746851 1066922165 /nfs/dbraw/zinc/92/21/65/1066922165.db2.gz HEVVECKZGDNBLG-UHFFFAOYSA-N 0 0 480.657 4.736 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448396935 1066922500 /nfs/dbraw/zinc/92/25/00/1066922500.db2.gz IIKKNBWSRXBHLS-INIZCTEOSA-N 0 0 450.649 4.571 20 0 JJADRN COc1cc(C(=O)N[C@H](C)C2CCOCC2)ccc1OCc1ccc(Br)s1 ZINC001457796810 1066922565 /nfs/dbraw/zinc/92/25/65/1066922565.db2.gz WDMCKBIKFKLTDA-CYBMUJFWSA-N 0 0 454.386 4.643 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2CC2CCC(F)(F)CC2)n1 ZINC001492747988 1066922604 /nfs/dbraw/zinc/92/26/04/1066922604.db2.gz TZCNRUQCHWZBLV-UHFFFAOYSA-N 0 0 478.632 4.997 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4ccc(Br)cc4C3)n2CCSC(C)C)n1 ZINC001492747727 1066922721 /nfs/dbraw/zinc/92/27/21/1066922721.db2.gz KDVXSOAWFGCJEB-UHFFFAOYSA-N 0 0 489.487 4.607 20 0 JJADRN CCOc1ccnc(N2CCCN(C(=O)c3c(F)cccc3Sc3ccccc3)CC2)n1 ZINC001457797158 1066922704 /nfs/dbraw/zinc/92/27/04/1066922704.db2.gz NJASMONIETUHEN-UHFFFAOYSA-N 0 0 452.555 4.518 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001448397732 1066922773 /nfs/dbraw/zinc/92/27/73/1066922773.db2.gz SWMSAMZPLBJSGH-MAUKXSAKSA-N 0 0 455.462 4.585 20 0 JJADRN O=C(CCc1cccc(F)c1F)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448398752 1066922802 /nfs/dbraw/zinc/92/28/02/1066922802.db2.gz UOZRLORENYZWDG-HNNXBMFYSA-N 0 0 452.217 4.529 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](c4nc(C(C)C)cs4)C3)n2CCOC(C)(C)C)n1 ZINC001492748476 1066923050 /nfs/dbraw/zinc/92/30/50/1066923050.db2.gz GTPOXCXRTOYIJD-HXUWFJFHSA-N 0 0 485.702 4.919 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)n1 ZINC001492748854 1066923497 /nfs/dbraw/zinc/92/34/97/1066923497.db2.gz PNJIBSGULFWREP-YADHBBJMSA-N 0 0 499.704 4.706 20 0 JJADRN Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(Cl)cc(Br)c3[O-])C2)s1 ZINC001457803618 1066924134 /nfs/dbraw/zinc/92/41/34/1066924134.db2.gz GHHVZWPMJHJVEC-ZDUSSCGKSA-N 0 0 457.821 4.772 20 0 JJADRN Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc(Br)c3[O-])C2)s1 ZINC001457803608 1066924155 /nfs/dbraw/zinc/92/41/55/1066924155.db2.gz GHHVZWPMJHJVEC-CYBMUJFWSA-N 0 0 457.821 4.772 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)[C@H](c2cccnc2)C1 ZINC001448405624 1066924225 /nfs/dbraw/zinc/92/42/25/1066924225.db2.gz PTJXARABBSDTBZ-SFHVURJKSA-N 0 0 451.901 4.647 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC2CCCCC2)n1 ZINC001492749384 1066924236 /nfs/dbraw/zinc/92/42/36/1066924236.db2.gz ZPZSKESSIGTDBV-LJQANCHMSA-N 0 0 468.568 4.658 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC2CCCCC2)n1 ZINC001492749383 1066924264 /nfs/dbraw/zinc/92/42/64/1066924264.db2.gz ZPZSKESSIGTDBV-IBGZPJMESA-N 0 0 468.568 4.658 20 0 JJADRN CCc1c(C(=O)N[C@@H](CC)Cc2ccccc2Br)cnn1-c1ccc(OC)cc1 ZINC001457804959 1066924438 /nfs/dbraw/zinc/92/44/38/1066924438.db2.gz QQDFGULLJXTWKW-KRWDZBQOSA-N 0 0 456.384 4.957 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](n4nc(C)cc4C)C3)n2CCCSCC(C)C)n1 ZINC001492749526 1066924494 /nfs/dbraw/zinc/92/44/94/1066924494.db2.gz CKAGRPHPBSMHSN-QHCPKHFHSA-N 0 0 484.718 4.574 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cccc(C)c1NC(=O)c1ccccc1F ZINC001457806391 1066924868 /nfs/dbraw/zinc/92/48/68/1066924868.db2.gz PCKQIQVMZBINQP-FQEVSTJZSA-N 0 0 456.901 4.512 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2Cc2c(F)cccc2OC(F)F)n1 ZINC001492750027 1066925025 /nfs/dbraw/zinc/92/50/25/1066925025.db2.gz OJRKEURUHMZOMO-LJQANCHMSA-N 0 0 462.520 4.553 20 0 JJADRN Cc1nc2cc(NC(=O)[C@H](C)CC(=O)c3cccc(Br)c3)ccc2n1[C@@H](C)CO ZINC001457807309 1066924992 /nfs/dbraw/zinc/92/49/92/1066924992.db2.gz RIBCXSYNZBALQY-KGLIPLIRSA-N 0 0 458.356 4.508 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457808539 1066925488 /nfs/dbraw/zinc/92/54/88/1066925488.db2.gz YPDMEJZTTUJOMV-HXUWFJFHSA-N 0 0 450.457 4.735 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001457810630 1066925739 /nfs/dbraw/zinc/92/57/39/1066925739.db2.gz QGTOKHXDFAPCGC-XXMUNEJQSA-N 0 0 456.380 4.689 20 0 JJADRN CCn1cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c(=O)c2cc(Cl)ccc21 ZINC001457809360 1066925941 /nfs/dbraw/zinc/92/59/41/1066925941.db2.gz XMUCOTXQINCDIA-UHFFFAOYSA-N 0 0 452.860 4.888 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001492751271 1066925788 /nfs/dbraw/zinc/92/57/88/1066925788.db2.gz WBEXARHFNRGXLT-BVAGGSTKSA-N 0 0 450.631 4.668 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001492751274 1066925948 /nfs/dbraw/zinc/92/59/48/1066925948.db2.gz WBEXARHFNRGXLT-ZEQKJWHPSA-N 0 0 450.631 4.668 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)c4cccc(Cl)c4)CC3)n2CCCC(C)C)n1 ZINC001492751287 1066926497 /nfs/dbraw/zinc/92/64/97/1066926497.db2.gz WIPBLHDCGZVPCD-UHFFFAOYSA-N 0 0 498.075 4.582 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492754975 1066927177 /nfs/dbraw/zinc/92/71/77/1066927177.db2.gz NMDOZCRXEVQZNK-JOCHJYFZSA-N 0 0 472.584 4.678 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001448435743 1066927310 /nfs/dbraw/zinc/92/73/10/1066927310.db2.gz JGAOUDVIYUBGQG-LJNYIBEXSA-N 0 0 452.422 4.876 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(Cl)s4)C3)n2CCCC(C)C)n1 ZINC001492754788 1066927286 /nfs/dbraw/zinc/92/72/86/1066927286.db2.gz IKBAFXVXVXZMKJ-GOSISDBHSA-N 0 0 463.051 4.869 20 0 JJADRN COC(=O)CCN(Cc1ccncc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001457817974 1066927598 /nfs/dbraw/zinc/92/75/98/1066927598.db2.gz QBSULKLJLYOFHR-UHFFFAOYSA-N 0 0 450.347 4.717 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c(O)c1 ZINC001448441053 1066927648 /nfs/dbraw/zinc/92/76/48/1066927648.db2.gz WCDRZQYDZOHNCV-UHFFFAOYSA-N 0 0 455.530 4.546 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3cccs3)C2)n1 ZINC001492756418 1066927926 /nfs/dbraw/zinc/92/79/26/1066927926.db2.gz ADLPVOXAXYKJIQ-XLIONFOSSA-N 0 0 455.676 4.641 20 0 JJADRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2Cl)nnn1CCOc1ccc(F)cc1 ZINC001448444308 1066928062 /nfs/dbraw/zinc/92/80/62/1066928062.db2.gz GWLAYNCTKSQIDJ-UHFFFAOYSA-N 0 0 453.301 4.519 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546006053 1066928161 /nfs/dbraw/zinc/92/81/61/1066928161.db2.gz OCWLOFVBFYSEFJ-PMACEKPBSA-N 0 0 457.619 4.901 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001457825137 1066928347 /nfs/dbraw/zinc/92/83/47/1066928347.db2.gz XVVILHUGMNGCSJ-UHFFFAOYSA-N 0 0 456.543 4.635 20 0 JJADRN O=Cc1cn(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)nc1-c1ccccc1 ZINC001448446574 1066928382 /nfs/dbraw/zinc/92/83/82/1066928382.db2.gz ZLZQZOUWOHHQDK-UHFFFAOYSA-N 0 0 452.352 4.531 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(C)C)CC2)n1 ZINC001492757534 1066928870 /nfs/dbraw/zinc/92/88/70/1066928870.db2.gz GZTTZOWZBLGDSH-UHFFFAOYSA-N 0 0 463.630 4.533 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Cc3ccc(-n4cnnn4)cc3)c2)cc1 ZINC001457826885 1066928869 /nfs/dbraw/zinc/92/88/69/1066928869.db2.gz DXRGFNAVYJZUSR-HXUWFJFHSA-N 0 0 455.562 4.879 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492757927 1066929299 /nfs/dbraw/zinc/92/92/99/1066929299.db2.gz QJEJEBHKXGXXOG-QGZVFWFLSA-N 0 0 455.573 4.580 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CCN2)cc1 ZINC001448452248 1066929430 /nfs/dbraw/zinc/92/94/30/1066929430.db2.gz RDOJWBYETWQNHD-QFIPXVFZSA-N 0 0 456.011 4.654 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC001492758029 1066929781 /nfs/dbraw/zinc/92/97/81/1066929781.db2.gz SRTSUQWOKQVNIL-SFHVURJKSA-N 0 0 493.553 4.808 20 0 JJADRN COC(=O)CCSCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC001448456572 1066929843 /nfs/dbraw/zinc/92/98/43/1066929843.db2.gz VWMCRLCHHMTRNL-UHFFFAOYSA-N 0 0 451.592 4.689 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3C)CC2)n1 ZINC001492757757 1066930074 /nfs/dbraw/zinc/93/00/74/1066930074.db2.gz LYKVCEVIPYFBLM-QFIPXVFZSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1cccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)c1C ZINC001457831014 1066930115 /nfs/dbraw/zinc/93/01/15/1066930115.db2.gz VGLYHSILGAVKEV-UHFFFAOYSA-N 0 0 456.995 4.708 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001546006408 1066930693 /nfs/dbraw/zinc/93/06/93/1066930693.db2.gz UJCVLMORLVRPNR-NHCUHLMSSA-N 0 0 473.687 4.698 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001546006409 1066930772 /nfs/dbraw/zinc/93/07/72/1066930772.db2.gz UJCVLMORLVRPNR-RTWAWAEBSA-N 0 0 473.687 4.698 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492759386 1066930802 /nfs/dbraw/zinc/93/08/02/1066930802.db2.gz DGHPLCRRKCZQQI-ZCNNSNEGSA-N 0 0 472.634 4.791 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)C[C@H](C)C2)n1 ZINC001492759189 1066930826 /nfs/dbraw/zinc/93/08/26/1066930826.db2.gz BBTVUQATUHGXOO-HDICACEKSA-N 0 0 463.630 4.533 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001492759385 1066930922 /nfs/dbraw/zinc/93/09/22/1066930922.db2.gz DGHPLCRRKCZQQI-UFYCRDLUSA-N 0 0 472.634 4.791 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3n[nH]cc3Br)c3ccccc3n2)cc1OC ZINC001457836619 1066931106 /nfs/dbraw/zinc/93/11/06/1066931106.db2.gz MSHRKIPKTDCHRQ-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001448476097 1066930999 /nfs/dbraw/zinc/93/09/99/1066930999.db2.gz BMERISVMBMXOOF-KRWDZBQOSA-N 0 0 459.775 4.605 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546006518 1066931051 /nfs/dbraw/zinc/93/10/51/1066931051.db2.gz WWEDSWMZIRLLGV-FMRHZRETSA-N 0 0 483.657 4.610 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccccc3Cl)CC2)n1 ZINC001492758920 1066931231 /nfs/dbraw/zinc/93/12/31/1066931231.db2.gz PZLAMOOMUAXDJH-SANMLTNESA-N 0 0 485.076 4.768 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001457843716 1066931503 /nfs/dbraw/zinc/93/15/03/1066931503.db2.gz SBUKCZDETGPYKU-CQSZACIVSA-N 0 0 450.532 4.948 20 0 JJADRN Cc1csc(Oc2ccc(NC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)cc2F)n1 ZINC001448481353 1066931418 /nfs/dbraw/zinc/93/14/18/1066931418.db2.gz ARIIPZPACCWNQQ-IUODEOHRSA-N 0 0 457.474 4.727 20 0 JJADRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC001448482733 1066931458 /nfs/dbraw/zinc/93/14/58/1066931458.db2.gz ZOHKKUWBNBWVNR-ISJGIBHGSA-N 0 0 459.546 4.649 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC001448482578 1066931568 /nfs/dbraw/zinc/93/15/68/1066931568.db2.gz YQBZLVMSRQPKLX-UHFFFAOYSA-N 0 0 458.702 4.628 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546006563 1066931627 /nfs/dbraw/zinc/93/16/27/1066931627.db2.gz XLUWEXUNYUGQGI-RZUBCFFCSA-N 0 0 455.647 4.991 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2CC(F)C2)n1 ZINC001492760362 1066931852 /nfs/dbraw/zinc/93/18/52/1066931852.db2.gz BXSMRBHUNQRSRV-UHFFFAOYSA-N 0 0 493.400 4.935 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC001448485146 1066931872 /nfs/dbraw/zinc/93/18/72/1066931872.db2.gz KPMCHADPCDZNLL-INDMIFKZSA-N 0 0 451.405 4.895 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC001448485797 1066931899 /nfs/dbraw/zinc/93/18/99/1066931899.db2.gz JSYRXNAZCLZTPO-UHFFFAOYSA-N 0 0 453.977 4.536 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492760349 1066931945 /nfs/dbraw/zinc/93/19/45/1066931945.db2.gz BLPMOMVZMQNYIE-KRWDZBQOSA-N 0 0 493.475 4.536 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)CCO2)n1 ZINC001492759657 1066932029 /nfs/dbraw/zinc/93/20/29/1066932029.db2.gz JTBYCBJTEYGNHL-SFTDATJTSA-N 0 0 478.632 4.801 20 0 JJADRN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1 ZINC001448488005 1066932162 /nfs/dbraw/zinc/93/21/62/1066932162.db2.gz ONNMVPXQBJKIQP-UHFFFAOYSA-N 0 0 451.592 4.614 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448489168 1066932651 /nfs/dbraw/zinc/93/26/51/1066932651.db2.gz NSXNAELRBHQGCG-VDGAXYAQSA-N 0 0 455.521 4.755 20 0 JJADRN C[C@@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001448492197 1066932774 /nfs/dbraw/zinc/93/27/74/1066932774.db2.gz ADWXUSIVIFCIJZ-HIFRSBDPSA-N 0 0 457.518 4.865 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)CCc3cc(Br)cs3)cc2c(OC)c1 ZINC001457859967 1066932736 /nfs/dbraw/zinc/93/27/36/1066932736.db2.gz QOHZAKACYNZYBY-UHFFFAOYSA-N 0 0 451.386 4.691 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2CCC(C)CC2)n1 ZINC001492760575 1066932773 /nfs/dbraw/zinc/93/27/73/1066932773.db2.gz KDCLXLJUXQTQRB-UHFFFAOYSA-N 0 0 457.420 4.848 20 0 JJADRN C[C@@](O)(CNC(=O)c1c(F)ccc(SCC2CC2)c1F)c1ccccc1Br ZINC001448493777 1066933086 /nfs/dbraw/zinc/93/30/86/1066933086.db2.gz XFLMCUSOHAHARK-HXUWFJFHSA-N 0 0 456.352 4.867 20 0 JJADRN C[C@](O)(CNC(=O)c1c(F)ccc(SCC2CC2)c1F)c1ccccc1Br ZINC001448493773 1066933126 /nfs/dbraw/zinc/93/31/26/1066933126.db2.gz XFLMCUSOHAHARK-FQEVSTJZSA-N 0 0 456.352 4.867 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001546007049 1066933194 /nfs/dbraw/zinc/93/31/94/1066933194.db2.gz KGZOOPFCINBPEJ-HXUWFJFHSA-N 0 0 450.608 4.880 20 0 JJADRN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457863497 1066933207 /nfs/dbraw/zinc/93/32/07/1066933207.db2.gz IGADKRSOBJGCBL-CRAIPNDOSA-N 0 0 455.352 4.588 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC001457868048 1066933290 /nfs/dbraw/zinc/93/32/90/1066933290.db2.gz OMSDSWGUWWCSTM-TYPHKJRUSA-N 0 0 450.645 4.737 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492761180 1066933974 /nfs/dbraw/zinc/93/39/74/1066933974.db2.gz FMGHIDZWHIIZDE-NRFANRHFSA-N 0 0 474.556 4.661 20 0 JJADRN CCCCCn1nc(C(=O)NCc2nc(-c3ccccc3F)cs2)c2ccccc2c1=O ZINC001448502125 1066934257 /nfs/dbraw/zinc/93/42/57/1066934257.db2.gz KLBQFAIJLQXIND-UHFFFAOYSA-N 0 0 450.539 4.779 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2Cl)n1 ZINC001492761337 1066934213 /nfs/dbraw/zinc/93/42/13/1066934213.db2.gz KEFJYIDZDSARQR-UHFFFAOYSA-N 0 0 459.038 4.939 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001492761628 1066934244 /nfs/dbraw/zinc/93/42/44/1066934244.db2.gz RTUSHULNWWVVSS-QGZVFWFLSA-N 0 0 456.585 4.923 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3c(C)onc3-c3cccc(Cl)c3)CC2)c1 ZINC001457874881 1066934543 /nfs/dbraw/zinc/93/45/43/1066934543.db2.gz KMFADSKRMOUZBQ-UHFFFAOYSA-N 0 0 455.942 4.673 20 0 JJADRN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001448506373 1066934672 /nfs/dbraw/zinc/93/46/72/1066934672.db2.gz QIVFWUKAHWWVJS-UHFFFAOYSA-N 0 0 453.896 4.896 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N(C)Cc2c(F)cccc2Cl)n1 ZINC001492762122 1066934585 /nfs/dbraw/zinc/93/45/85/1066934585.db2.gz HTURTSHBISYRNX-UHFFFAOYSA-N 0 0 488.036 4.966 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)CSc3cccc(Br)c3)n2)cc1F ZINC001457877634 1066934977 /nfs/dbraw/zinc/93/49/77/1066934977.db2.gz QGOMYOFMIUAVNI-LBPRGKRZSA-N 0 0 450.333 4.916 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCCC2)n1 ZINC001492762327 1066935112 /nfs/dbraw/zinc/93/51/12/1066935112.db2.gz NUWLNUJHAVKLAE-SZPZYZBQSA-N 0 0 485.677 4.579 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3cc4cc(Br)ccc4o3)CC2)c1 ZINC001457880659 1066935379 /nfs/dbraw/zinc/93/53/79/1066935379.db2.gz VXZNDXNTWFGAKR-UHFFFAOYSA-N 0 0 459.340 4.565 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881842 1066935439 /nfs/dbraw/zinc/93/54/39/1066935439.db2.gz BQFLXKFAZBRAPE-MEBBXXQBSA-N 0 0 450.383 4.768 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCc3nccc(Br)c3C2)c(C)c1Br ZINC001457881059 1066935449 /nfs/dbraw/zinc/93/54/49/1066935449.db2.gz YCLPKQDRWSVPDI-UHFFFAOYSA-N 0 0 452.190 4.659 20 0 JJADRN C[C@H](NC(=O)[C@@H]1SCCc2sccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881844 1066935469 /nfs/dbraw/zinc/93/54/69/1066935469.db2.gz BQFLXKFAZBRAPE-ZUZCIYMTSA-N 0 0 450.383 4.768 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCc2cccc(Br)c2C1 ZINC001457883041 1066935700 /nfs/dbraw/zinc/93/57/00/1066935700.db2.gz NEBHEZOTTMMSAT-UHFFFAOYSA-N 0 0 452.230 4.716 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492762654 1066935646 /nfs/dbraw/zinc/93/56/46/1066935646.db2.gz ZSXSYPJOPRAGFH-IBGZPJMESA-N 0 0 464.511 4.690 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)n1 ZINC001492762632 1066935743 /nfs/dbraw/zinc/93/57/43/1066935743.db2.gz YZPIJGCNMJGXHD-OALUTQOASA-N 0 0 475.062 4.744 20 0 JJADRN C[C@H](Sc1nc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)cs1)C(N)=O ZINC001457883670 1066935805 /nfs/dbraw/zinc/93/58/05/1066935805.db2.gz CCUWFHAFMJADKT-ORAYPTAESA-N 0 0 452.045 4.743 20 0 JJADRN CC[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001546007582 1066936114 /nfs/dbraw/zinc/93/61/14/1066936114.db2.gz ANSPFFNVYNRUTO-NHCUHLMSSA-N 0 0 471.646 4.829 20 0 JJADRN Cc1nnc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492764714 1066936177 /nfs/dbraw/zinc/93/61/77/1066936177.db2.gz MTNPLKJTDLGACG-HXUWFJFHSA-N 0 0 467.643 4.565 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533196 1066936393 /nfs/dbraw/zinc/93/63/93/1066936393.db2.gz DOEZHXSQXVMOMF-WMZHIEFXSA-N 0 0 453.583 4.662 20 0 JJADRN O=C(CSc1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001457887154 1066936416 /nfs/dbraw/zinc/93/64/16/1066936416.db2.gz OLYOZPCPLLMKCR-UHFFFAOYSA-N 0 0 450.290 4.775 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N[C@H](C)c3nc(-c4ccc(Br)cc4)no3)cc21 ZINC001457888085 1066936524 /nfs/dbraw/zinc/93/65/24/1066936524.db2.gz VOWRHMXHNPXZAA-LLVKDONJSA-N 0 0 456.300 4.650 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492765365 1066936606 /nfs/dbraw/zinc/93/66/06/1066936606.db2.gz DYUOLCSBXBNSJQ-AWEZNQCLSA-N 0 0 497.463 4.581 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Cl)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492765303 1066936645 /nfs/dbraw/zinc/93/66/45/1066936645.db2.gz CKTKQRDXKBEOKL-UHFFFAOYSA-N 0 0 461.035 4.785 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492765461 1066936881 /nfs/dbraw/zinc/93/68/81/1066936881.db2.gz HRGNRLCCHHPUCA-KGLIPLIRSA-N 0 0 493.500 4.831 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cn1 ZINC001457889882 1066936971 /nfs/dbraw/zinc/93/69/71/1066936971.db2.gz DUCFYPANNFRMNR-WZONZLPQSA-N 0 0 453.583 4.698 20 0 JJADRN CN(C)Cc1cc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)ccc1Cl ZINC001448535616 1066936918 /nfs/dbraw/zinc/93/69/18/1066936918.db2.gz AKRCSOLNQSQRHN-UHFFFAOYSA-N 0 0 452.979 4.656 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448538052 1066937203 /nfs/dbraw/zinc/93/72/03/1066937203.db2.gz HZNFMXDOVJABOB-KZULUSFZSA-N 0 0 453.739 4.724 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC001457892203 1066937375 /nfs/dbraw/zinc/93/73/75/1066937375.db2.gz GDWXWZWNUQFTNT-SFHVURJKSA-N 0 0 456.779 4.538 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492765522 1066937245 /nfs/dbraw/zinc/93/72/45/1066937245.db2.gz JKBIHDYHDQFJPJ-CQSZACIVSA-N 0 0 461.433 4.737 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492765578 1066937328 /nfs/dbraw/zinc/93/73/28/1066937328.db2.gz LGMVINFIEHUFDM-UHFFFAOYSA-N 0 0 470.496 4.575 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448539612 1066937570 /nfs/dbraw/zinc/93/75/70/1066937570.db2.gz KWBMYYZPSOXPRL-ROUUACIJSA-N 0 0 455.368 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448539608 1066937583 /nfs/dbraw/zinc/93/75/83/1066937583.db2.gz KWBMYYZPSOXPRL-QZTJIDSGSA-N 0 0 455.368 4.945 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1Br ZINC001448543618 1066937963 /nfs/dbraw/zinc/93/79/63/1066937963.db2.gz RZKAGSIXNASNIH-CUDHKJQZSA-N 0 0 463.416 4.924 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546094949 1066937997 /nfs/dbraw/zinc/93/79/97/1066937997.db2.gz CMJGTIAGYDUKKK-HHHXNRCGSA-N 0 0 463.626 4.803 20 0 JJADRN CC(C)n1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)n1 ZINC001448541427 1066938041 /nfs/dbraw/zinc/93/80/41/1066938041.db2.gz MPVJSTXBQQLGDW-UHFFFAOYSA-N 0 0 453.351 4.824 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546094950 1066938070 /nfs/dbraw/zinc/93/80/70/1066938070.db2.gz CMJGTIAGYDUKKK-MHZLTWQESA-N 0 0 463.626 4.803 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492765920 1066938144 /nfs/dbraw/zinc/93/81/44/1066938144.db2.gz WRDCJXLLPRUVJB-UHFFFAOYSA-N 0 0 461.035 4.785 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001457898015 1066938413 /nfs/dbraw/zinc/93/84/13/1066938413.db2.gz JPHIWVROLOLZMT-NRFANRHFSA-N 0 0 454.935 4.545 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492766027 1066938463 /nfs/dbraw/zinc/93/84/63/1066938463.db2.gz ZHVOHAXBKSBCOI-ULQDDVLXSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492766031 1066938616 /nfs/dbraw/zinc/93/86/16/1066938616.db2.gz ZLCSUBAWAOUNTJ-QGZVFWFLSA-N 0 0 488.633 4.744 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)Cc2ccccc2C(F)(F)F)s1 ZINC001492766454 1066938979 /nfs/dbraw/zinc/93/89/79/1066938979.db2.gz MZADPZHVGSYXNG-UHFFFAOYSA-N 0 0 452.550 4.925 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001457902777 1066939277 /nfs/dbraw/zinc/93/92/77/1066939277.db2.gz DPDBIOUTQWXDOO-UHFFFAOYSA-N 0 0 459.346 4.570 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)C[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC001492766762 1066939381 /nfs/dbraw/zinc/93/93/81/1066939381.db2.gz VYXWPAYTZMMVRH-QPPBQGQZSA-N 0 0 468.671 4.873 20 0 JJADRN CN(C)[C@H](C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)c1ccccc1 ZINC001448553998 1066939415 /nfs/dbraw/zinc/93/94/15/1066939415.db2.gz WCFIGRFAQOBZCU-IBGZPJMESA-N 0 0 451.489 4.972 20 0 JJADRN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001448566974 1066939443 /nfs/dbraw/zinc/93/94/43/1066939443.db2.gz TYDHNQUGGPJWOG-WMLDXEAASA-N 0 0 453.782 4.992 20 0 JJADRN Cc1cc(-c2noc([C@H](C)NC(=O)Cc3csc(COc4ccccc4)n3)n2)ccc1F ZINC001457905296 1066939679 /nfs/dbraw/zinc/93/96/79/1066939679.db2.gz AKGCJRXLINPKBK-HNNXBMFYSA-N 0 0 452.511 4.640 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3sc(C)nc3CC(C)C)cc2)cc1 ZINC001457908631 1066939707 /nfs/dbraw/zinc/93/97/07/1066939707.db2.gz JXMGTAZBFCNSPW-UHFFFAOYSA-N 0 0 451.592 4.770 20 0 JJADRN COC(=O)[C@@]1(C)CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 ZINC001457906110 1066939812 /nfs/dbraw/zinc/93/98/12/1066939812.db2.gz JSOOXYTXUMBQEM-NRFANRHFSA-N 0 0 450.322 4.663 20 0 JJADRN Cc1nnc(CCCn2c(N(Cc3ccccc3)C[C@H]3CCCO3)nnc2C(C)(C)C)s1 ZINC001492766976 1066939866 /nfs/dbraw/zinc/93/98/66/1066939866.db2.gz BQOJJMVATSHKOD-HXUWFJFHSA-N 0 0 454.644 4.554 20 0 JJADRN Nc1c(Cl)cc(C(=O)NCc2ccc(Cl)cc2I)cc1Cl ZINC001448581251 1066940203 /nfs/dbraw/zinc/94/02/03/1066940203.db2.gz NMJSVLPQFMFPQU-UHFFFAOYSA-N 0 0 455.510 4.764 20 0 JJADRN Cc1nnc(CCCn2c(N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)nnc2C(C)(C)C)s1 ZINC001492767484 1066940500 /nfs/dbraw/zinc/94/05/00/1066940500.db2.gz SVICWLUTWIQLRB-GOSISDBHSA-N 0 0 494.587 4.965 20 0 JJADRN Cc1ccc(CC(C)(C)NC(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)cc1 ZINC001457912109 1066940557 /nfs/dbraw/zinc/94/05/57/1066940557.db2.gz XCNSTCHVURNLLO-UHFFFAOYSA-N 0 0 454.567 4.994 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)n1 ZINC001457913721 1066940652 /nfs/dbraw/zinc/94/06/52/1066940652.db2.gz OTFXPPUNEZCTIB-OAHLLOKOSA-N 0 0 456.543 4.856 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1 ZINC001457915808 1066940977 /nfs/dbraw/zinc/94/09/77/1066940977.db2.gz SAQMDSZTIBCBIA-YWZLYKJASA-N 0 0 451.548 4.610 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001448593729 1066940942 /nfs/dbraw/zinc/94/09/42/1066940942.db2.gz QXONWWQXVRCNFN-UHFFFAOYSA-N 0 0 455.023 4.774 20 0 JJADRN CCC(CC)[C@@H](C(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1)N1CCOCC1 ZINC001448604779 1066940987 /nfs/dbraw/zinc/94/09/87/1066940987.db2.gz FBYNKJCNGXIQLY-FQEVSTJZSA-N 0 0 455.546 4.535 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N3CCC(CO)(Cc4ccccc4)CC3)cs2)cc1 ZINC001448595335 1066941158 /nfs/dbraw/zinc/94/11/58/1066941158.db2.gz SEFYBNXVPNIJCW-UHFFFAOYSA-N 0 0 450.604 4.595 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)sc1Cc1ccc(F)c(F)c1F ZINC001448604040 1066941186 /nfs/dbraw/zinc/94/11/86/1066941186.db2.gz BROVRUJRPXECLW-MRXNPFEDSA-N 0 0 459.493 4.841 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001457917139 1066941308 /nfs/dbraw/zinc/94/13/08/1066941308.db2.gz NFETWMKBUWMGGH-PMACEKPBSA-N 0 0 458.624 4.523 20 0 JJADRN Cc1nc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)sc1Cc1c(F)cccc1F ZINC001448608980 1066941358 /nfs/dbraw/zinc/94/13/58/1066941358.db2.gz PHWMOBBBZMTXJG-MOROJQBDSA-N 0 0 463.550 4.808 20 0 JJADRN Cc1nc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)sc1Cc1ccc(Cl)cc1F ZINC001448605534 1066941523 /nfs/dbraw/zinc/94/15/23/1066941523.db2.gz IPNYYPUPPPVLEN-NRFANRHFSA-N 0 0 454.951 4.664 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492767903 1066941371 /nfs/dbraw/zinc/94/13/71/1066941371.db2.gz GICYDTOURQSYBZ-BEFAXECRSA-N 0 0 491.061 4.725 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c2ccccc2)cc1 ZINC001448608944 1066941576 /nfs/dbraw/zinc/94/15/76/1066941576.db2.gz BGIZJNWEXVKMMO-DEOSSOPVSA-N 0 0 458.562 4.897 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccc(Br)cc3)no2)n1 ZINC001457917622 1066941607 /nfs/dbraw/zinc/94/16/07/1066941607.db2.gz XMEKVAMZMDQOFR-NSHDSACASA-N 0 0 451.346 4.573 20 0 JJADRN Cc1cc2cc(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)oc2c(Br)c1 ZINC001457918210 1066941629 /nfs/dbraw/zinc/94/16/29/1066941629.db2.gz YTBHPXMPVYWBTD-UHFFFAOYSA-N 0 0 454.223 4.764 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492768061 1066941796 /nfs/dbraw/zinc/94/17/96/1066941796.db2.gz MDDMVRRXNFUEMR-ULQDDVLXSA-N 0 0 491.061 4.705 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1)C1CCC1 ZINC001457921671 1066941818 /nfs/dbraw/zinc/94/18/18/1066941818.db2.gz CUYCHGIJDRGBAA-CQSZACIVSA-N 0 0 456.490 4.856 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001457921345 1066941848 /nfs/dbraw/zinc/94/18/48/1066941848.db2.gz ARUKURLBFVNQQZ-MAUKXSAKSA-N 0 0 452.352 4.617 20 0 JJADRN Cc1nc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)sc1Cc1ccc(F)cc1F ZINC001448612357 1066941857 /nfs/dbraw/zinc/94/18/57/1066941857.db2.gz ZINLONZWQSYBMF-KBPBESRZSA-N 0 0 458.534 4.581 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492768363 1066942359 /nfs/dbraw/zinc/94/23/59/1066942359.db2.gz VERHATQXSUAPLR-JKSUJKDBSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC001492768419 1066942375 /nfs/dbraw/zinc/94/23/75/1066942375.db2.gz WLKVIQBUPPGUGI-INIZCTEOSA-N 0 0 486.951 4.549 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3ccc(NC4=NCCN4)c(Cl)c3)c(C(C)(C)C)n2)cc1 ZINC001457930864 1066942657 /nfs/dbraw/zinc/94/26/57/1066942657.db2.gz BZJQTQQFKCHYFM-UHFFFAOYSA-N 0 0 450.974 4.755 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N2CCC(C)(C)CC2)s1 ZINC001492768470 1066942710 /nfs/dbraw/zinc/94/27/10/1066942710.db2.gz XVAULGOIMROYES-UHFFFAOYSA-N 0 0 461.433 4.737 20 0 JJADRN CCOCn1nc(C)c(CC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1C ZINC001448618060 1066942699 /nfs/dbraw/zinc/94/26/99/1066942699.db2.gz BWNQKLYMWYCZDL-UHFFFAOYSA-N 0 0 450.326 4.564 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(OC(F)F)c2)s1 ZINC001492769585 1066943164 /nfs/dbraw/zinc/94/31/64/1066943164.db2.gz FYOGTQXVWIZLBC-UHFFFAOYSA-N 0 0 491.955 4.634 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001457934923 1066943263 /nfs/dbraw/zinc/94/32/63/1066943263.db2.gz JYQYNCUTWLRZFT-MEDUHNTESA-N 0 0 459.167 4.815 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)c(=O)[nH]c21 ZINC001448619044 1066943374 /nfs/dbraw/zinc/94/33/74/1066943374.db2.gz WSUZMGLLNXTEQW-BQYQJAHWSA-N 0 0 459.377 4.864 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@H](C)CC[C@@H]2C)s1 ZINC001492771077 1066943586 /nfs/dbraw/zinc/94/35/86/1066943586.db2.gz JJOCIGLTEXBQSL-NEPJUHHUSA-N 0 0 465.396 4.680 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(Cc2cccc(F)c2)C(C)C)s1 ZINC001492771005 1066943593 /nfs/dbraw/zinc/94/35/93/1066943593.db2.gz HNEPXCXGMPBTIP-UHFFFAOYSA-N 0 0 490.406 4.798 20 0 JJADRN Cc1ccc2oc(CNC(=O)c3cccc(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1 ZINC001457936701 1066943696 /nfs/dbraw/zinc/94/36/96/1066943696.db2.gz UXMCZQOBLNFMGF-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN C[C@@H](Oc1ccnc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c1)c1ccccc1 ZINC001457937805 1066943863 /nfs/dbraw/zinc/94/38/63/1066943863.db2.gz VKKXYYGHQCSATP-QGZVFWFLSA-N 0 0 454.486 4.827 20 0 JJADRN Cc1ccc(F)c(CN(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001448620786 1066943965 /nfs/dbraw/zinc/94/39/65/1066943965.db2.gz KMMVRSDAWGAGJK-UHFFFAOYSA-N 0 0 455.574 4.974 20 0 JJADRN Cc1nnc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(OC(C)(C)C)CC2)s1 ZINC001492771260 1066943924 /nfs/dbraw/zinc/94/39/24/1066943924.db2.gz MLHIYBWALRVOAZ-HNNXBMFYSA-N 0 0 474.606 4.549 20 0 JJADRN Cc1nnc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C(C)(C)C)CC2)s1 ZINC001492771159 1066944064 /nfs/dbraw/zinc/94/40/64/1066944064.db2.gz KRVFWQJFEFUTAI-OAHLLOKOSA-N 0 0 456.591 4.948 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1Br)C(=O)OC(C)(C)C ZINC001457939961 1066944198 /nfs/dbraw/zinc/94/41/98/1066944198.db2.gz MTJRKDHUIJFXIB-AWEZNQCLSA-N 0 0 454.283 4.834 20 0 JJADRN CON(C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCCOc2ccccc21 ZINC001457941764 1066944687 /nfs/dbraw/zinc/94/46/87/1066944687.db2.gz CGKNDBIRWRLWKD-XMMPIXPASA-N 0 0 458.558 4.976 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1=O ZINC001457942715 1066944740 /nfs/dbraw/zinc/94/47/40/1066944740.db2.gz HVPBDXTXVXVMOO-ZSEKCTLFSA-N 0 0 450.913 4.883 20 0 JJADRN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448624132 1066944946 /nfs/dbraw/zinc/94/49/46/1066944946.db2.gz SSHUDGXLQMCZJN-UHFFFAOYSA-N 0 0 458.278 4.502 20 0 JJADRN O=C(Cn1ccc2ccccc2c1=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001457944630 1066945088 /nfs/dbraw/zinc/94/50/88/1066945088.db2.gz MWUAZAXYZAAUIS-UHFFFAOYSA-N 0 0 451.448 4.644 20 0 JJADRN Cc1nnc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492773318 1066945377 /nfs/dbraw/zinc/94/53/77/1066945377.db2.gz CGKJNQJMTXEYDC-UHFFFAOYSA-N 0 0 450.534 4.874 20 0 JJADRN CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC001448629453 1066945370 /nfs/dbraw/zinc/94/53/70/1066945370.db2.gz ISCGPCOUKSWSCS-LJQANCHMSA-N 0 0 456.930 4.944 20 0 JJADRN Cc1cc(OC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)ccc1Br ZINC001457946814 1066945566 /nfs/dbraw/zinc/94/55/66/1066945566.db2.gz NPGJBOSQEWSDJB-JOCHJYFZSA-N 0 0 450.332 4.930 20 0 JJADRN Cc1nnc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)CC2CC(F)C2)s1 ZINC001492773637 1066945729 /nfs/dbraw/zinc/94/57/29/1066945729.db2.gz NALUKVFLLDAKGI-UHFFFAOYSA-N 0 0 479.025 4.644 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)s1 ZINC001492773769 1066945741 /nfs/dbraw/zinc/94/57/41/1066945741.db2.gz RJVYYGYDXSRMRE-GOSISDBHSA-N 0 0 477.034 4.503 20 0 JJADRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492773597 1066945748 /nfs/dbraw/zinc/94/57/48/1066945748.db2.gz LOOPAAQFBMUFBG-KRWDZBQOSA-N 0 0 479.075 4.683 20 0 JJADRN Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCNc1ncc(Cl)cc1Cl ZINC001492774356 1066945759 /nfs/dbraw/zinc/94/57/59/1066945759.db2.gz GHZUBAOFWZKDKC-CQSZACIVSA-N 0 0 490.395 4.554 20 0 JJADRN O=C(Cc1sc(-c2cccs2)nc1-c1ccccc1)NCc1noc(C(F)(F)F)n1 ZINC001448631193 1066945721 /nfs/dbraw/zinc/94/57/21/1066945721.db2.gz LVTQUICSVCGEEZ-UHFFFAOYSA-N 0 0 450.467 4.799 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N[C@H]3C[C@H](c4ccc(F)c(Br)c4)C3)CC2=O)cc1 ZINC001448631592 1066945776 /nfs/dbraw/zinc/94/57/76/1066945776.db2.gz QWZCSUNQJKTOFP-BZSNNMDCSA-N 0 0 459.359 4.566 20 0 JJADRN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC001448631825 1066945855 /nfs/dbraw/zinc/94/58/55/1066945855.db2.gz ULYOBVXQZFHXSP-OAQYLSRUSA-N 0 0 450.988 4.623 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001457947108 1066945862 /nfs/dbraw/zinc/94/58/62/1066945862.db2.gz FPPAZKVDIUTKMZ-LJQANCHMSA-N 0 0 453.869 4.995 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@H](c4ccc(F)c(Br)c4)C3)CC2=O)cc1 ZINC001448631593 1066945991 /nfs/dbraw/zinc/94/59/91/1066945991.db2.gz QWZCSUNQJKTOFP-KZNAEPCWSA-N 0 0 459.359 4.566 20 0 JJADRN Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492774616 1066946100 /nfs/dbraw/zinc/94/61/00/1066946100.db2.gz KUSLAGHURVLBQI-PIJWYQRNSA-N 0 0 467.639 4.676 20 0 JJADRN O=C(c1cn(Cc2cccs2)nn1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001457950612 1066946765 /nfs/dbraw/zinc/94/67/65/1066946765.db2.gz XPANHLCZLDDXMU-UHFFFAOYSA-N 0 0 457.481 4.644 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2)ccc1F ZINC001448652500 1066946930 /nfs/dbraw/zinc/94/69/30/1066946930.db2.gz QPXDPSXRGYSOEO-LJQANCHMSA-N 0 0 456.514 4.704 20 0 JJADRN Cn1nccc1[C@@H](O)C1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001457952489 1066947092 /nfs/dbraw/zinc/94/70/92/1066947092.db2.gz OOBXTMNNTDZNCS-DEOSSOPVSA-N 0 0 455.643 4.626 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)n1 ZINC001457953082 1066947139 /nfs/dbraw/zinc/94/71/39/1066947139.db2.gz USNQWQKWZIILJD-UHFFFAOYSA-N 0 0 452.558 4.658 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001448665963 1066947278 /nfs/dbraw/zinc/94/72/78/1066947278.db2.gz CTNVRIOGGBFLGA-DBXWQHBBSA-N 0 0 459.359 4.645 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC ZINC001448661656 1066947328 /nfs/dbraw/zinc/94/73/28/1066947328.db2.gz LHYXZNVSBVURMF-NSHGMRRFSA-N 0 0 454.567 4.523 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCCS1)Nc1ccc(SC(F)F)cc1 ZINC001457953116 1066947640 /nfs/dbraw/zinc/94/76/40/1066947640.db2.gz JOLZJHIRRKKPKG-INIZCTEOSA-N 0 0 452.548 4.644 20 0 JJADRN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C ZINC001457953801 1066947671 /nfs/dbraw/zinc/94/76/71/1066947671.db2.gz WHIUDNSGDYDSEC-QFIPXVFZSA-N 0 0 458.917 4.747 20 0 JJADRN CCOc1cc(/C=C/C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccc1O ZINC001448670308 1066947632 /nfs/dbraw/zinc/94/76/32/1066947632.db2.gz KIPPVBYSEGMTKD-VQHVLOKHSA-N 0 0 451.441 4.525 20 0 JJADRN CCC[C@H](NC(=O)CCOc1cccc(I)c1)c1ccc(F)cc1F ZINC001457955453 1066948043 /nfs/dbraw/zinc/94/80/43/1066948043.db2.gz PLVYUBXTQROTGO-SFHVURJKSA-N 0 0 459.274 4.996 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)c2cc(Br)cc(Br)c2N)c1C ZINC001448671844 1066948095 /nfs/dbraw/zinc/94/80/95/1066948095.db2.gz IPEPKBVOVQRDQI-UHFFFAOYSA-N 0 0 457.122 4.533 20 0 JJADRN Cc1nnc(N(C)Cc2ccccc2N2CCCC2)n1CCc1ccc(Br)s1 ZINC001492781755 1066948204 /nfs/dbraw/zinc/94/82/04/1066948204.db2.gz KBDQFYMMWZAJJO-UHFFFAOYSA-N 0 0 460.445 4.890 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc3ccc(Br)cc3c2)C1 ZINC001457956695 1066948445 /nfs/dbraw/zinc/94/84/45/1066948445.db2.gz CYCQFEFUJNQMLN-QFIPXVFZSA-N 0 0 451.364 4.566 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)C2)cc1 ZINC001448673549 1066948641 /nfs/dbraw/zinc/94/86/41/1066948641.db2.gz HDDARNJAQPCEBK-GHTZIAJQSA-N 0 0 452.551 4.953 20 0 JJADRN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(C)c(Cl)cc1I ZINC001448673759 1066948686 /nfs/dbraw/zinc/94/86/86/1066948686.db2.gz NTTXQWPZBAPMGJ-LBPRGKRZSA-N 0 0 458.727 4.952 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)C2)cc1 ZINC001448673651 1066948771 /nfs/dbraw/zinc/94/87/71/1066948771.db2.gz HDDARNJAQPCEBK-RXVVDRJESA-N 0 0 452.551 4.953 20 0 JJADRN Cc1nnc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)n1CCc1csc2ccccc12 ZINC001492783020 1066948733 /nfs/dbraw/zinc/94/87/33/1066948733.db2.gz INTYTUFMXRXZES-MRXNPFEDSA-N 0 0 454.600 4.797 20 0 JJADRN CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546008835 1066948790 /nfs/dbraw/zinc/94/87/90/1066948790.db2.gz XQFBQPFTLJNGRU-IFMALSPDSA-N 0 0 485.673 4.760 20 0 JJADRN COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001448673785 1066948797 /nfs/dbraw/zinc/94/87/97/1066948797.db2.gz KPINCQZTWVNJNF-LJQANCHMSA-N 0 0 453.543 4.624 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)nnn1Cc1cccc(Br)c1 ZINC001448673887 1066948821 /nfs/dbraw/zinc/94/88/21/1066948821.db2.gz XQTVEMNGNFWRDA-KESTWPANSA-N 0 0 453.384 4.717 20 0 JJADRN CCCc1c(NC(=O)CSCC(=O)c2ccccc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448676070 1066949140 /nfs/dbraw/zinc/94/91/40/1066949140.db2.gz NWFUXRBTMLLIGE-UHFFFAOYSA-N 0 0 459.518 4.666 20 0 JJADRN CCCc1c(NC(=O)c2c(C)onc2-c2cccnc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448676090 1066949167 /nfs/dbraw/zinc/94/91/67/1066949167.db2.gz NXEYCJJLNSBINF-UHFFFAOYSA-N 0 0 453.449 4.722 20 0 JJADRN Cc1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492785063 1066949081 /nfs/dbraw/zinc/94/90/81/1066949081.db2.gz CPHKKSJFONKOAN-DENIHFKCSA-N 0 0 459.516 4.847 20 0 JJADRN Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492785069 1066949158 /nfs/dbraw/zinc/94/91/58/1066949158.db2.gz CPHKKSJFONKOAN-UGKGYDQZSA-N 0 0 459.516 4.847 20 0 JJADRN Cc1nnc(N(Cc2c(F)cccc2F)C2CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001492788169 1066949499 /nfs/dbraw/zinc/94/94/99/1066949499.db2.gz JBWGGDUQOCXZPQ-UHFFFAOYSA-N 0 0 453.324 4.848 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448677540 1066949693 /nfs/dbraw/zinc/94/96/93/1066949693.db2.gz WPDUZFFPHCXCTB-OAHLLOKOSA-N 0 0 453.432 4.755 20 0 JJADRN Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001492788803 1066949924 /nfs/dbraw/zinc/94/99/24/1066949924.db2.gz CHJJAPARCWAZSB-NRFANRHFSA-N 0 0 467.570 4.760 20 0 JJADRN CCCc1c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001448680340 1066949956 /nfs/dbraw/zinc/94/99/56/1066949956.db2.gz XEHNTGDUHXIAQN-UHFFFAOYSA-N 0 0 454.477 4.712 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC001457972186 1066949991 /nfs/dbraw/zinc/94/99/91/1066949991.db2.gz ZGWMPCBGMCQIJU-QFIPXVFZSA-N 0 0 451.364 4.566 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492790881 1066950443 /nfs/dbraw/zinc/95/04/43/1066950443.db2.gz SZTRGELXXGKISU-STQMWFEESA-N 0 0 467.355 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC001448683078 1066950467 /nfs/dbraw/zinc/95/04/67/1066950467.db2.gz HDBDVYWOFZROBB-ZWKOTPCHSA-N 0 0 454.489 4.691 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492794970 1066950797 /nfs/dbraw/zinc/95/07/97/1066950797.db2.gz MVYBNONRQXHBFZ-SNVBAGLBSA-N 0 0 472.334 4.996 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492794819 1066950927 /nfs/dbraw/zinc/95/09/27/1066950927.db2.gz JNMSPCHNQOYSSW-AWEZNQCLSA-N 0 0 478.435 4.776 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@H](O)c1ccccc1 ZINC001448686379 1066951020 /nfs/dbraw/zinc/95/10/20/1066951020.db2.gz HAXDPCVNWQTJBM-LEWJYISDSA-N 0 0 459.409 4.990 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc4cccc(Br)c4n3)C2)cc1 ZINC001457978959 1066951148 /nfs/dbraw/zinc/95/11/48/1066951148.db2.gz IELSUHKGSRSEHN-GOSISDBHSA-N 0 0 452.352 4.797 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](CF)C3)c2)cc1 ZINC001457980207 1066951159 /nfs/dbraw/zinc/95/11/59/1066951159.db2.gz BDYXLWSAVRFCJB-KRWDZBQOSA-N 0 0 452.979 4.915 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492797478 1066951456 /nfs/dbraw/zinc/95/14/56/1066951456.db2.gz FGFDQPNCZRDLCL-UHFFFAOYSA-N 0 0 484.954 4.859 20 0 JJADRN C[C@@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001448687532 1066951463 /nfs/dbraw/zinc/95/14/63/1066951463.db2.gz QKNJRTJELIUYKE-LLVKDONJSA-N 0 0 454.246 4.938 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC001457981636 1066951466 /nfs/dbraw/zinc/95/14/66/1066951466.db2.gz PXYSNENLVZPJNA-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN O=C(Nc1ccc2cccc(Br)c2n1)c1cc2c(c(Br)c1)OCO2 ZINC001457982437 1066951615 /nfs/dbraw/zinc/95/16/15/1066951615.db2.gz PMESKZIGSWUXLB-UHFFFAOYSA-N 0 0 450.086 4.741 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccsc1Br ZINC001492798391 1066951740 /nfs/dbraw/zinc/95/17/40/1066951740.db2.gz FOCSPPRSSYANPX-CYBMUJFWSA-N 0 0 484.464 4.588 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccccc1OC(C)C ZINC001492798412 1066951842 /nfs/dbraw/zinc/95/18/42/1066951842.db2.gz FZSLCQUIPVLBGR-SFHVURJKSA-N 0 0 457.619 4.552 20 0 JJADRN O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001457984541 1066951932 /nfs/dbraw/zinc/95/19/32/1066951932.db2.gz PECOZHZVQQUQGM-OAQYLSRUSA-N 0 0 451.369 4.744 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)c3c(Cl)cccc3S(C)(=O)=O)c2C)c1 ZINC001457984756 1066951880 /nfs/dbraw/zinc/95/18/80/1066951880.db2.gz PTLLSUDWYZBAIX-UHFFFAOYSA-N 0 0 459.951 4.892 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1ccc(I)cc1F ZINC001457983723 1066951970 /nfs/dbraw/zinc/95/19/70/1066951970.db2.gz JYSSRZRNOZNTGR-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001492798664 1066952076 /nfs/dbraw/zinc/95/20/76/1066952076.db2.gz JYIAMUOLWYXLIP-QGZVFWFLSA-N 0 0 457.594 4.587 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001492798820 1066952207 /nfs/dbraw/zinc/95/22/07/1066952207.db2.gz NBYAEXYFDOVYPD-GCJKJVERSA-N 0 0 456.635 4.551 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(I)c(C)c2)c(C)n1CC(F)(F)F ZINC001448689625 1066952154 /nfs/dbraw/zinc/95/21/54/1066952154.db2.gz WUEFQESLLMTDJJ-UHFFFAOYSA-N 0 0 450.242 4.510 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(C)c(C(=O)N4CCCCC4)c3)n2)n1 ZINC001448692129 1066952163 /nfs/dbraw/zinc/95/21/63/1066952163.db2.gz NUKFJYOLFGHLBS-UHFFFAOYSA-N 0 0 451.958 4.724 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC001457986758 1066952244 /nfs/dbraw/zinc/95/22/44/1066952244.db2.gz UYNLGDRKXILWCL-UHFFFAOYSA-N 0 0 453.560 4.801 20 0 JJADRN Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001492799342 1066952527 /nfs/dbraw/zinc/95/25/27/1066952527.db2.gz BYNYPUSYFFNRLS-LJQANCHMSA-N 0 0 454.493 4.804 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3F)nc2)c(OC)c1OC ZINC001448715130 1066952596 /nfs/dbraw/zinc/95/25/96/1066952596.db2.gz BWHUQRAORQIJBQ-UHFFFAOYSA-N 0 0 454.454 4.640 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)s1 ZINC001448701333 1066952667 /nfs/dbraw/zinc/95/26/67/1066952667.db2.gz XITRPCKBIAGXRO-UHFFFAOYSA-N 0 0 454.592 4.942 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccccc1Br ZINC001448721227 1066953441 /nfs/dbraw/zinc/95/34/41/1066953441.db2.gz LABWJLPFBNILFL-UHFFFAOYSA-N 0 0 451.792 4.851 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCCSCC(C)C ZINC001492804834 1066953772 /nfs/dbraw/zinc/95/37/72/1066953772.db2.gz QZGRIHKKCFIKAP-UHFFFAOYSA-N 0 0 453.697 4.839 20 0 JJADRN NC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nncs2)cc1)c1cccc(Oc2ccccc2)c1 ZINC001448724723 1066953889 /nfs/dbraw/zinc/95/38/89/1066953889.db2.gz WIOAUNVHMPIWSO-NRFANRHFSA-N 0 0 459.531 4.736 20 0 JJADRN CCSCc1ccnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 ZINC001457996381 1066954033 /nfs/dbraw/zinc/95/40/33/1066954033.db2.gz KKSIIMDUDRPYCW-UHFFFAOYSA-N 0 0 455.605 4.721 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001448729361 1066954303 /nfs/dbraw/zinc/95/43/03/1066954303.db2.gz BLNHPQPIXWRZNX-UHFFFAOYSA-N 0 0 454.246 4.772 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001457997389 1066954699 /nfs/dbraw/zinc/95/46/99/1066954699.db2.gz LWLVNDSCTABTAI-IBGZPJMESA-N 0 0 451.567 4.842 20 0 JJADRN Cc1nnc(N2CCc3cccc(Br)c3C2)n1Cc1ccsc1Br ZINC001492828767 1066954781 /nfs/dbraw/zinc/95/47/81/1066954781.db2.gz ZWINVLLTHXNQDX-UHFFFAOYSA-N 0 0 468.218 4.784 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(CN(C)C)c(Cl)c3)c2)c1 ZINC001448735575 1066955145 /nfs/dbraw/zinc/95/51/45/1066955145.db2.gz FTJZMQZWVXPUMR-UHFFFAOYSA-N 0 0 457.983 4.763 20 0 JJADRN O=C(Nc1ccc(Nc2ncccn2)cc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001448735942 1066955403 /nfs/dbraw/zinc/95/54/03/1066955403.db2.gz QZYYEMSNMBGNOB-LJQANCHMSA-N 0 0 456.333 4.770 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1sc2cc(Cl)ccc2c1Cl)Cc1ccccc1OC ZINC001546009377 1066955821 /nfs/dbraw/zinc/95/58/21/1066955821.db2.gz MTKDFDGHJTVTEI-ZDUSSCGKSA-N 0 0 452.359 4.978 20 0 JJADRN CSC1(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)CCCCC1 ZINC001458010050 1066956190 /nfs/dbraw/zinc/95/61/90/1066956190.db2.gz SKUYLGZSIVNAFK-UHFFFAOYSA-N 0 0 457.596 4.609 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1OC(F)F ZINC001492839366 1066956292 /nfs/dbraw/zinc/95/62/92/1066956292.db2.gz SWIZAVNEMHAXCC-VQIMIIECSA-N 0 0 479.572 4.560 20 0 JJADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001492838518 1066956304 /nfs/dbraw/zinc/95/63/04/1066956304.db2.gz NHUFHUMUKOLZRI-MRXNPFEDSA-N 0 0 478.906 4.557 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458010394 1066956294 /nfs/dbraw/zinc/95/62/94/1066956294.db2.gz JHCLIEWEPKWMTJ-UHFFFAOYSA-N 0 0 456.521 4.739 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)c1ncc(C(F)(F)F)s1 ZINC001448774308 1066956517 /nfs/dbraw/zinc/95/65/17/1066956517.db2.gz MLLANYUDSMGZKL-SECBINFHSA-N 0 0 454.255 4.518 20 0 JJADRN Nc1cc(Br)cc(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1N ZINC001448773736 1066956599 /nfs/dbraw/zinc/95/65/99/1066956599.db2.gz DZQITXUZWNIVFE-SFHVURJKSA-N 0 0 458.335 4.510 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1cc(-c2cccs2)on1 ZINC001448772853 1066956628 /nfs/dbraw/zinc/95/66/28/1066956628.db2.gz KIWFWNIDHCCXAC-LBPRGKRZSA-N 0 0 452.317 4.759 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC001458013205 1066956718 /nfs/dbraw/zinc/95/67/18/1066956718.db2.gz LKQAALFHMIAGDK-LAUBAEHRSA-N 0 0 456.533 4.864 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C(C)(C)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001448778148 1066957024 /nfs/dbraw/zinc/95/70/24/1066957024.db2.gz QSYRRQGQJNUABY-NRFANRHFSA-N 0 0 450.406 4.958 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCCC2(CCOCC2)C1)c1ccccc1Br ZINC001448777038 1066957054 /nfs/dbraw/zinc/95/70/54/1066957054.db2.gz KICPEMSXMNWXLE-UHFFFAOYSA-N 0 0 457.368 4.734 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC001458016241 1066957308 /nfs/dbraw/zinc/95/73/08/1066957308.db2.gz VNQAYNXLTRWKPQ-LLVKDONJSA-N 0 0 451.857 4.932 20 0 JJADRN CCC1(CC)CCC(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001448785795 1066957633 /nfs/dbraw/zinc/95/76/33/1066957633.db2.gz DWUQHXUVSRADSO-OAQYLSRUSA-N 0 0 457.615 4.943 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CCO1 ZINC001546096044 1066957995 /nfs/dbraw/zinc/95/79/95/1066957995.db2.gz YQCWNTOITFSMSE-QGZVFWFLSA-N 0 0 463.754 4.515 20 0 JJADRN CC(=O)N1CC[C@@H](NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c2ccccc21 ZINC001458024132 1066958162 /nfs/dbraw/zinc/95/81/62/1066958162.db2.gz UKWJXPLEYMEWGF-GOSISDBHSA-N 0 0 459.493 4.980 20 0 JJADRN CN(C(N)=O)c1cccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)c1 ZINC001448809558 1066958994 /nfs/dbraw/zinc/95/89/94/1066958994.db2.gz JGTQVRFZRSIYKR-FQEVSTJZSA-N 0 0 454.324 4.723 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)Cc1sc(=S)[nH]c1C)C(F)(F)F ZINC001458036482 1066959064 /nfs/dbraw/zinc/95/90/64/1066959064.db2.gz GKVOGFRCNPJPDZ-OAHLLOKOSA-N 0 0 454.543 4.548 20 0 JJADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001492851847 1066958997 /nfs/dbraw/zinc/95/89/97/1066958997.db2.gz LIOYWPSXIXHZKM-APWZRJJASA-N 0 0 481.954 4.600 20 0 JJADRN Cc1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492863286 1066959293 /nfs/dbraw/zinc/95/92/93/1066959293.db2.gz SFSUZCGADQCJOQ-UNMCSNQZSA-N 0 0 455.603 4.813 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492853203 1066959340 /nfs/dbraw/zinc/95/93/40/1066959340.db2.gz ZKXJKCCLDIADRO-IBGZPJMESA-N 0 0 457.644 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)C1 ZINC001458043553 1066959927 /nfs/dbraw/zinc/95/99/27/1066959927.db2.gz RTKKBVNTBLGSCA-UHFFFAOYSA-N 0 0 451.405 4.586 20 0 JJADRN Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492897723 1066959871 /nfs/dbraw/zinc/95/98/71/1066959871.db2.gz FKGCUPCRGYBPKJ-LJQANCHMSA-N 0 0 466.655 4.564 20 0 JJADRN Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCc1ccc(Br)s1 ZINC001492898477 1066960035 /nfs/dbraw/zinc/96/00/35/1066960035.db2.gz LNQXUVGUWQRZOF-CQSZACIVSA-N 0 0 496.425 4.815 20 0 JJADRN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001458046240 1066960311 /nfs/dbraw/zinc/96/03/11/1066960311.db2.gz VJPBLHGFMUHHPD-VGOFRKELSA-N 0 0 452.382 4.577 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001458046235 1066960328 /nfs/dbraw/zinc/96/03/28/1066960328.db2.gz VJPBLHGFMUHHPD-JTSKRJEESA-N 0 0 452.382 4.577 20 0 JJADRN Cc1c(C(=O)NC(C)(C)c2ccccc2Br)nnn1-c1cccc2ncccc21 ZINC001458046317 1066960351 /nfs/dbraw/zinc/96/03/51/1066960351.db2.gz DVCVTGRWYYDCDC-UHFFFAOYSA-N 0 0 450.340 4.552 20 0 JJADRN CC(C)(NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)c1ccccc1Br ZINC001458047113 1066960816 /nfs/dbraw/zinc/96/08/16/1066960816.db2.gz HRLNFHAYDASGDA-UHFFFAOYSA-N 0 0 452.352 4.690 20 0 JJADRN CCNC(=O)c1cc(NC(=O)Cc2c(C)cc(C)c(Br)c2C)nc2ccccc21 ZINC001458048384 1066961135 /nfs/dbraw/zinc/96/11/35/1066961135.db2.gz ZKTIJIIHKIYDIQ-UHFFFAOYSA-N 0 0 454.368 4.853 20 0 JJADRN CCc1c(NC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)cnn1C(CC)CC ZINC001448838729 1066961595 /nfs/dbraw/zinc/96/15/95/1066961595.db2.gz PIAKWQQOIDZPLG-NBGIEHNGSA-N 0 0 456.587 4.561 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001458051767 1066961654 /nfs/dbraw/zinc/96/16/54/1066961654.db2.gz FLSQCVVQZDTWQD-SJKOYZFVSA-N 0 0 458.274 4.944 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)N2CCC(Oc3ncccc3F)CC2)cc1 ZINC001448837073 1066961704 /nfs/dbraw/zinc/96/17/04/1066961704.db2.gz FHCCSVLOUJYPGX-UHFFFAOYSA-N 0 0 453.539 4.781 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001492947466 1066961745 /nfs/dbraw/zinc/96/17/45/1066961745.db2.gz FNTXOMGSPKJZAU-LJQANCHMSA-N 0 0 499.896 4.536 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1Cc1cc(Br)cs1 ZINC001492947448 1066961860 /nfs/dbraw/zinc/96/18/60/1066961860.db2.gz FJMKOWKEZSNPLK-QGZVFWFLSA-N 0 0 471.783 4.829 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC001458052971 1066962055 /nfs/dbraw/zinc/96/20/55/1066962055.db2.gz WMFKTOIMWDFCBJ-UONOGXRCSA-N 0 0 452.502 4.977 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc(C)c1OCc1cccnc1 ZINC001448840201 1066962022 /nfs/dbraw/zinc/96/20/22/1066962022.db2.gz HQNBHBPMVWPIFI-KNQAVFIVSA-N 0 0 453.583 4.795 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCN1C(=O)OC(C)(C)C ZINC001448841438 1066962126 /nfs/dbraw/zinc/96/21/26/1066962126.db2.gz JHAFAVROXJBZPW-RYUDHWBXSA-N 0 0 454.340 4.587 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492956531 1066962187 /nfs/dbraw/zinc/96/21/87/1066962187.db2.gz SFRHKEMEGWCZEV-ZDUSSCGKSA-N 0 0 486.589 4.636 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001492955735 1066962256 /nfs/dbraw/zinc/96/22/56/1066962256.db2.gz NCTGPSRZYIGQGJ-DNVCBOLYSA-N 0 0 459.591 4.525 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001492955736 1066962285 /nfs/dbraw/zinc/96/22/85/1066962285.db2.gz NCTGPSRZYIGQGJ-HNAYVOBHSA-N 0 0 459.591 4.525 20 0 JJADRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001545695022 1066962553 /nfs/dbraw/zinc/96/25/53/1066962553.db2.gz BHVHQKWBOBXSLJ-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN CCn1cc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc21 ZINC001545695106 1066962710 /nfs/dbraw/zinc/96/27/10/1066962710.db2.gz FVLNZCKXCRWVOZ-UHFFFAOYSA-N 0 0 451.523 4.531 20 0 JJADRN O=C(NCCCOc1ccc2ccccc2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001545695037 1066962792 /nfs/dbraw/zinc/96/27/92/1066962792.db2.gz CAVDGODMQHAWBN-QFIPXVFZSA-N 0 0 454.979 4.594 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001545695709 1066962803 /nfs/dbraw/zinc/96/28/03/1066962803.db2.gz BVSLTYIOHWAQNW-FGTMMUONSA-N 0 0 486.567 4.632 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC001448844439 1066962938 /nfs/dbraw/zinc/96/29/38/1066962938.db2.gz HXHGJIOZVFNEPV-UHFFFAOYSA-N 0 0 452.530 4.569 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546009959 1066962962 /nfs/dbraw/zinc/96/29/62/1066962962.db2.gz CBGWBDRAFAEELO-VXPBHUBDSA-N 0 0 469.630 4.704 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc(Cl)c1OCC(C)C ZINC001448843637 1066963000 /nfs/dbraw/zinc/96/30/00/1066963000.db2.gz MDUIKIZXZPIFOP-NVXWUHKLSA-N 0 0 454.995 4.901 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1 ZINC001458056528 1066962927 /nfs/dbraw/zinc/96/29/27/1066962927.db2.gz CKAPCZDGXWWWHG-HUUCEWRRSA-N 0 0 452.979 4.658 20 0 JJADRN C[C@@H](NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458056170 1066963004 /nfs/dbraw/zinc/96/30/04/1066963004.db2.gz MSCAWDWIIUTFAV-HXUWFJFHSA-N 0 0 452.570 4.869 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c(C(F)(F)F)n1 ZINC001458056062 1066963046 /nfs/dbraw/zinc/96/30/46/1066963046.db2.gz DMWCKRRLIGLVDR-OAHLLOKOSA-N 0 0 453.509 4.838 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001545695955 1066963043 /nfs/dbraw/zinc/96/30/43/1066963043.db2.gz HCKKWROGVFYFOF-VQTJNVASSA-N 0 0 462.598 4.697 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001545696488 1066963166 /nfs/dbraw/zinc/96/31/66/1066963166.db2.gz QGHQCDUUBHLSNQ-OAHLLOKOSA-N 0 0 489.407 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC001448844460 1066963358 /nfs/dbraw/zinc/96/33/58/1066963358.db2.gz IMIIMRYQGKLNAQ-UHFFFAOYSA-N 0 0 450.579 4.865 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001545698325 1066963465 /nfs/dbraw/zinc/96/34/65/1066963465.db2.gz GWMBUMNIGUKEOC-ZDUSSCGKSA-N 0 0 469.474 4.562 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccccc1-n1cccn1 ZINC001458057640 1066963553 /nfs/dbraw/zinc/96/35/53/1066963553.db2.gz GZOGDVFONNMDLM-UHFFFAOYSA-N 0 0 451.324 4.782 20 0 JJADRN CN(c1ccc(Oc2cc(Cl)nc([C@H]3CCCO3)n2)cc1)S(=O)(=O)c1cccs1 ZINC001458056614 1066963569 /nfs/dbraw/zinc/96/35/69/1066963569.db2.gz BHFBBTBXJONFHS-OAHLLOKOSA-N 0 0 451.957 4.660 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(F)cc3NC(C)=O)C2)n1 ZINC001448852785 1066964241 /nfs/dbraw/zinc/96/42/41/1066964241.db2.gz BFGAYIFOAALWBV-INIZCTEOSA-N 0 0 453.539 4.936 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001448851631 1066964266 /nfs/dbraw/zinc/96/42/66/1066964266.db2.gz VGRUWMXQGAPZQV-FSSWDIPSSA-N 0 0 487.641 4.718 20 0 JJADRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1nn(-c2ccccc2F)cc1Br ZINC001458059614 1066964498 /nfs/dbraw/zinc/96/44/98/1066964498.db2.gz AYCGAPBMBRKAPP-DNVCBOLYSA-N 0 0 458.331 4.672 20 0 JJADRN Cn1c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc(Br)c1C=O ZINC001448865394 1066965193 /nfs/dbraw/zinc/96/51/93/1066965193.db2.gz PTANXEPYPZUPDK-UHFFFAOYSA-N 0 0 458.259 4.995 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)NCc4sccc4Br)c3)cn2c1 ZINC001448865527 1066965201 /nfs/dbraw/zinc/96/52/01/1066965201.db2.gz ASQWGYPTWIPHPD-UHFFFAOYSA-N 0 0 456.365 4.976 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)c2)cc1 ZINC001545702649 1066965238 /nfs/dbraw/zinc/96/52/38/1066965238.db2.gz JTUGKRXFXADAQQ-QGZVFWFLSA-N 0 0 457.530 4.504 20 0 JJADRN CCOc1cc(Sc2nc3ccccc3c(=O)n2-c2cc(C)c(Cl)cc2OC)ncn1 ZINC001458063825 1066965366 /nfs/dbraw/zinc/96/53/66/1066965366.db2.gz XVDWXOQTZOHDMK-UHFFFAOYSA-N 0 0 454.939 4.696 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001448867010 1066965531 /nfs/dbraw/zinc/96/55/31/1066965531.db2.gz HEUBUSTWMLTZTG-SGWGQVFISA-N 0 0 452.599 4.712 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(C1)CCOCC2)OC ZINC001546010173 1066965544 /nfs/dbraw/zinc/96/55/44/1066965544.db2.gz HEZCYHMDXCBKQZ-NRFANRHFSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)[C@@H](C)n3cnc4c3ncnc4N)c2)cc1 ZINC001545702997 1066965613 /nfs/dbraw/zinc/96/56/13/1066965613.db2.gz WBKCOVBZROBARC-QZTJIDSGSA-N 0 0 458.566 4.643 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001545704005 1066965986 /nfs/dbraw/zinc/96/59/86/1066965986.db2.gz QWYNXFUQUYNIEN-QGZVFWFLSA-N 0 0 465.564 4.971 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001545703747 1066966094 /nfs/dbraw/zinc/96/60/94/1066966094.db2.gz LXASXAYJYDVJLS-JKSUJKDBSA-N 0 0 461.582 4.711 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)Cc2csc(-c3ccoc3)n2)nc(N2CCCCC2)n1 ZINC001458067538 1066966188 /nfs/dbraw/zinc/96/61/88/1066966188.db2.gz HEYOWLPVXWKFNX-UHFFFAOYSA-N 0 0 453.612 4.719 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 ZINC001546010239 1066966417 /nfs/dbraw/zinc/96/64/17/1066966417.db2.gz IPTWROLTPFSZQS-FNZWTVRRSA-N 0 0 481.666 4.859 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(N=S(C)(C)=O)c1 ZINC001458069019 1066966453 /nfs/dbraw/zinc/96/64/53/1066966453.db2.gz LYTMLDZEAKNORW-UHFFFAOYSA-N 0 0 454.346 4.629 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1 ZINC001448884128 1066966635 /nfs/dbraw/zinc/96/66/35/1066966635.db2.gz DDOPMMVYUHLRHC-HFSMHLIXSA-N 0 0 459.384 4.673 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001545705501 1066966702 /nfs/dbraw/zinc/96/67/02/1066966702.db2.gz BJTHGESTSGANLS-IRLDBZIGSA-N 0 0 473.687 4.501 20 0 JJADRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c[nH]c2ncc(Br)cc12 ZINC001448883642 1066966704 /nfs/dbraw/zinc/96/67/04/1066966704.db2.gz IKWONNLJXZNHHT-ZDUSSCGKSA-N 0 0 453.159 4.665 20 0 JJADRN CN(C)[C@@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882316 1066966864 /nfs/dbraw/zinc/96/68/64/1066966864.db2.gz APPHCGZLUGUDHY-WOJBJXKFSA-N 0 0 450.808 4.808 20 0 JJADRN Cn1cc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c(I)n1 ZINC001458071797 1066966853 /nfs/dbraw/zinc/96/68/53/1066966853.db2.gz YTMRYAPJEPAQFG-UHFFFAOYSA-N 0 0 451.352 4.522 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 ZINC001545705637 1066967105 /nfs/dbraw/zinc/96/71/05/1066967105.db2.gz DHCJNVKTCRCMOE-UWJYYQICSA-N 0 0 460.022 4.584 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 ZINC001545705852 1066967130 /nfs/dbraw/zinc/96/71/30/1066967130.db2.gz HLGLEODBAJYRTF-KRWDZBQOSA-N 0 0 462.063 4.909 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCCOc3ccc(C)cc3Cl)c2)ccn1 ZINC001458071649 1066967266 /nfs/dbraw/zinc/96/72/66/1066967266.db2.gz OPLAAGNFCVSHLH-UHFFFAOYSA-N 0 0 454.910 4.960 20 0 JJADRN Fc1ccc2nc(C(F)F)nc(Sc3nnnn3-c3ccc(OC(F)(F)F)cc3)c2c1 ZINC001458072794 1066967277 /nfs/dbraw/zinc/96/72/77/1066967277.db2.gz TURBZJMUFBRZEP-UHFFFAOYSA-N 0 0 458.347 4.732 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458071538 1066967352 /nfs/dbraw/zinc/96/73/52/1066967352.db2.gz CBTMLLRUYOEROB-UKILVPOCSA-N 0 0 457.534 4.580 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(F)c1 ZINC001458072197 1066967361 /nfs/dbraw/zinc/96/73/61/1066967361.db2.gz BRCRZBVGAUZMSA-GOSISDBHSA-N 0 0 453.322 4.829 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC)(CC)C1 ZINC001545706245 1066967444 /nfs/dbraw/zinc/96/74/44/1066967444.db2.gz OHGUAKGJBAITPQ-HXUWFJFHSA-N 0 0 450.631 4.602 20 0 JJADRN C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001448893801 1066968024 /nfs/dbraw/zinc/96/80/24/1066968024.db2.gz ORRHECFLFMVGLF-XJKSGUPXSA-N 0 0 451.350 4.717 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)n1)c1cccnc1Sc1ccc(Br)cc1 ZINC001458076378 1066968021 /nfs/dbraw/zinc/96/80/21/1066968021.db2.gz AEGFICJIRMTHMJ-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN O=C(c1ccc(Br)cc1O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448903485 1066968429 /nfs/dbraw/zinc/96/84/29/1066968429.db2.gz YEKKWEPCNNFYRE-HNNXBMFYSA-N 0 0 454.162 4.634 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc(Cl)c(F)c1 ZINC001458077919 1066968544 /nfs/dbraw/zinc/96/85/44/1066968544.db2.gz XDTBQGBYSMSJTC-FQEVSTJZSA-N 0 0 455.917 4.713 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC001545707591 1066968623 /nfs/dbraw/zinc/96/86/23/1066968623.db2.gz RETVNEDJHUIKBF-NRFANRHFSA-N 0 0 450.608 4.646 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001545706800 1066968667 /nfs/dbraw/zinc/96/86/67/1066968667.db2.gz YNWIGQWFACENDU-NYVOZVTQSA-N 0 0 455.647 4.794 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448905407 1066968765 /nfs/dbraw/zinc/96/87/65/1066968765.db2.gz OPJRFSIEBODNQG-KAOXLYBCSA-N 0 0 452.599 4.708 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC001448904591 1066968813 /nfs/dbraw/zinc/96/88/13/1066968813.db2.gz IMVFBOSXVRFUFY-ZOWXZIJZSA-N 0 0 450.404 4.748 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C ZINC001545708261 1066968973 /nfs/dbraw/zinc/96/89/73/1066968973.db2.gz FTIVTIBFZWEZPP-PKWOTWBQSA-N 0 0 467.658 4.625 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001545708245 1066969000 /nfs/dbraw/zinc/96/90/00/1066969000.db2.gz FQYGGZFTUSHQSQ-RTBURBONSA-N 0 0 473.687 4.756 20 0 JJADRN CC(=O)N(CCC(=O)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)Cc1ccccc1 ZINC001458079565 1066969072 /nfs/dbraw/zinc/96/90/72/1066969072.db2.gz DUBPLUXUJPJDHG-UHFFFAOYSA-N 0 0 454.399 4.594 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1sc2ccccc2c1Cl ZINC001545708240 1066969123 /nfs/dbraw/zinc/96/91/23/1066969123.db2.gz FMEYPJHDMCSHNW-CYBMUJFWSA-N 0 0 457.991 4.595 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001545709265 1066969410 /nfs/dbraw/zinc/96/94/10/1066969410.db2.gz YTXDPWIBGLDVIE-YUVXSKOASA-N 0 0 498.672 4.551 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001545709197 1066969490 /nfs/dbraw/zinc/96/94/90/1066969490.db2.gz XNTSYQJZTXRXEI-IAGOWNOFSA-N 0 0 499.603 4.663 20 0 JJADRN C[C@H]1OCC[C@]12CN(C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C[C@@H](C)O2 ZINC001448915458 1066969579 /nfs/dbraw/zinc/96/95/79/1066969579.db2.gz CBLZTEPZLCWMNG-WTOQQFBESA-N 0 0 450.362 4.908 20 0 JJADRN CN(C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)[C@@H](CC(N)=O)c1ccccc1 ZINC001448919271 1066969767 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CEISGHRMIXQAHY-GOSISDBHSA-N 0 0 459.612 4.828 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)CC2=O)cc1 ZINC001545715958 1066970706 /nfs/dbraw/zinc/97/07/06/1066970706.db2.gz CEQWCRWIMJYHFQ-ATIYNZHBSA-N 0 0 458.558 4.743 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC001458088555 1066970904 /nfs/dbraw/zinc/97/09/04/1066970904.db2.gz MGMGWCZUTBQTSU-UHFFFAOYSA-N 0 0 458.356 4.896 20 0 JJADRN COCc1nc(OC)cc(Sc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)n1 ZINC001458089197 1066971345 /nfs/dbraw/zinc/97/13/45/1066971345.db2.gz LRDPNFOMVJOUAB-UHFFFAOYSA-N 0 0 453.955 4.992 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(Cl)cc(F)c1Br ZINC001448930959 1066971366 /nfs/dbraw/zinc/97/13/66/1066971366.db2.gz BDACTGURIQIJAL-LBPRGKRZSA-N 0 0 456.617 4.604 20 0 JJADRN O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001545716591 1066971415 /nfs/dbraw/zinc/97/14/15/1066971415.db2.gz UTKOCRXQHLWYGN-AHWVRZQESA-N 0 0 458.558 4.950 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)CCOCC1 ZINC001545716774 1066971533 /nfs/dbraw/zinc/97/15/33/1066971533.db2.gz ZCUSZJVEOFXGLR-HSZRJFAPSA-N 0 0 453.579 4.820 20 0 JJADRN Cc1cc(OCC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)ccc1Br ZINC001458090910 1066971714 /nfs/dbraw/zinc/97/17/14/1066971714.db2.gz FVRAJVZCPHSYCG-CYBMUJFWSA-N 0 0 453.174 4.872 20 0 JJADRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001458090861 1066971807 /nfs/dbraw/zinc/97/18/07/1066971807.db2.gz ATMTZONVQGPSQS-UHFFFAOYSA-N 0 0 450.366 4.602 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC001545717193 1066971810 /nfs/dbraw/zinc/97/18/10/1066971810.db2.gz HLHIJJBZCLSJAY-KCZVDYSFSA-N 0 0 452.672 4.857 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001545716927 1066971892 /nfs/dbraw/zinc/97/18/92/1066971892.db2.gz CEASBTLRHOQHNW-HLAWJBBLSA-N 0 0 482.641 4.905 20 0 JJADRN CCN(CC(=O)NCc1ccc(F)cc1)c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC001458090521 1066971957 /nfs/dbraw/zinc/97/19/57/1066971957.db2.gz YZWBZHNUTJWDLU-UHFFFAOYSA-N 0 0 450.539 4.649 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1C[C@@H]1CCC2(C1)OCCO2)c1ccccc1 ZINC001545717927 1066972120 /nfs/dbraw/zinc/97/21/20/1066972120.db2.gz USXPDXCQECZLSG-KCZVDYSFSA-N 0 0 458.672 4.941 20 0 JJADRN CC[C@@H](NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1c(C)noc1C ZINC001458092679 1066972889 /nfs/dbraw/zinc/97/28/89/1066972889.db2.gz HDFINLSXBNCAQP-GOSISDBHSA-N 0 0 453.352 4.800 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)ccc2s1 ZINC001458092595 1066972931 /nfs/dbraw/zinc/97/29/31/1066972931.db2.gz GUWUBQKIGNLQNX-UHFFFAOYSA-N 0 0 455.536 4.750 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001545719191 1066973063 /nfs/dbraw/zinc/97/30/63/1066973063.db2.gz CBCNLCYVRSTCQZ-JFJDKTSWSA-N 0 0 458.672 4.660 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(Cc2ccccc2)c2ccccc21 ZINC001458094188 1066973125 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GRFRQPILLXXNTE-NYVOZVTQSA-N 0 0 456.562 4.660 20 0 JJADRN Cc1csc2nc(CC(=O)N3C[C@H](C)N(C(=O)OC(C)(C)C)Cc4ccc(F)cc43)cn12 ZINC001458095746 1066973604 /nfs/dbraw/zinc/97/36/04/1066973604.db2.gz PMEAVLFFNHUNGN-AWEZNQCLSA-N 0 0 458.559 4.558 20 0 JJADRN CC(C)c1c(NC(=O)CCNC(=O)c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC001448961657 1066973689 /nfs/dbraw/zinc/97/36/89/1066973689.db2.gz IOABCHHBGQWTLT-UHFFFAOYSA-N 0 0 455.356 4.517 20 0 JJADRN CC(C)c1c(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cnn1-c1ccccc1 ZINC001448963712 1066973986 /nfs/dbraw/zinc/97/39/86/1066973986.db2.gz PWZGMKAJIUHIRA-KQWNVCNZSA-N 0 0 451.530 4.800 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545719789 1066974032 /nfs/dbraw/zinc/97/40/32/1066974032.db2.gz MEKNFCBFEFPCRY-XPPIMPSXSA-N 0 0 457.688 4.845 20 0 JJADRN O=C(NCCOc1ncccc1F)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001458096256 1066974127 /nfs/dbraw/zinc/97/41/27/1066974127.db2.gz FPQXONDMMHRXTM-UHFFFAOYSA-N 0 0 450.901 4.595 20 0 JJADRN COc1cc(NC(C)=O)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001458096188 1066974178 /nfs/dbraw/zinc/97/41/78/1066974178.db2.gz XDKJNEVCMZOJCW-UHFFFAOYSA-N 0 0 452.894 4.556 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCSC1 ZINC001448968662 1066974507 /nfs/dbraw/zinc/97/45/07/1066974507.db2.gz JRTHIWZSWMCFCV-MHECFPHRSA-N 0 0 452.620 4.809 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)ccc2s1 ZINC001458098334 1066974518 /nfs/dbraw/zinc/97/45/18/1066974518.db2.gz YNAZSHHNWJQRAG-UHFFFAOYSA-N 0 0 450.438 4.760 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)c1ccccc1 ZINC001545720445 1066974767 /nfs/dbraw/zinc/97/47/67/1066974767.db2.gz XCKFOIUFNZMNRW-RTBURBONSA-N 0 0 475.424 4.859 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001448977611 1066974839 /nfs/dbraw/zinc/97/48/39/1066974839.db2.gz UJZYALXLJGQYNA-SJORKVTESA-N 0 0 459.413 4.902 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cc(-n2cccn2)c1 ZINC001448977716 1066974852 /nfs/dbraw/zinc/97/48/52/1066974852.db2.gz UVZULKQVSRGWHD-HYBUGGRVSA-N 0 0 476.577 4.545 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)on2)CC1 ZINC001448974081 1066974863 /nfs/dbraw/zinc/97/48/63/1066974863.db2.gz WOJLFQLLTKOZAT-QUCCMNQESA-N 0 0 457.546 4.994 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)c1ccccc1 ZINC001545720442 1066974984 /nfs/dbraw/zinc/97/49/84/1066974984.db2.gz XCKFOIUFNZMNRW-MOPGFXCFSA-N 0 0 475.424 4.859 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCSC2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545720488 1066975334 /nfs/dbraw/zinc/97/53/34/1066975334.db2.gz XTZZALSUGVVOFR-VQTJNVASSA-N 0 0 458.031 4.889 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545720520 1066975345 /nfs/dbraw/zinc/97/53/45/1066975345.db2.gz YJCMUYHCVPXADF-PKTZIBPZSA-N 0 0 481.641 4.612 20 0 JJADRN CC(C)Cc1ncnc(NCc2cccnc2OC2CCCC2)c1I ZINC001458101112 1066975336 /nfs/dbraw/zinc/97/53/36/1066975336.db2.gz WFSYWUPWOVGTDA-UHFFFAOYSA-N 0 0 452.340 4.608 20 0 JJADRN Cc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(C2CCOCC2)n1 ZINC001458101155 1066975453 /nfs/dbraw/zinc/97/54/53/1066975453.db2.gz BNVYUCCSVBFSCI-UHFFFAOYSA-N 0 0 451.367 4.598 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cc(Br)cs2)n1CCCNC(C)=O)c1ccccc1 ZINC001545721443 1066975618 /nfs/dbraw/zinc/97/56/18/1066975618.db2.gz AELBGAWIDRCLOC-FQEVSTJZSA-N 0 0 490.471 4.807 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(Br)cs2)n1CCCNC(C)=O)c1ccccc1 ZINC001545721444 1066975806 /nfs/dbraw/zinc/97/58/06/1066975806.db2.gz AELBGAWIDRCLOC-HXUWFJFHSA-N 0 0 490.471 4.807 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001546010878 1066975718 /nfs/dbraw/zinc/97/57/18/1066975718.db2.gz UHLYBZCRUUEOGU-IEBWSBKVSA-N 0 0 477.030 4.883 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001546010877 1066975775 /nfs/dbraw/zinc/97/57/75/1066975775.db2.gz UHLYBZCRUUEOGU-HKUYNNGSSA-N 0 0 477.030 4.883 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cscn1)c1ccccc1 ZINC001546010895 1066975849 /nfs/dbraw/zinc/97/58/49/1066975849.db2.gz URZFNNNQBCSYLZ-KRWDZBQOSA-N 0 0 466.636 4.556 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@@H](c2ccccc2)C(C)(C)CO)nnc1-c1ccccc1 ZINC001448991990 1066975899 /nfs/dbraw/zinc/97/58/99/1066975899.db2.gz AAXQNCORVJKDQD-GCJKJVERSA-N 0 0 452.624 4.884 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721685 1066975989 /nfs/dbraw/zinc/97/59/89/1066975989.db2.gz FANHIOWQVNWWPO-JOCHJYFZSA-N 0 0 487.656 4.765 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2cc(F)c(F)cc2Br)C(F)(F)F)cc1 ZINC001458102360 1066976116 /nfs/dbraw/zinc/97/61/16/1066976116.db2.gz ILEJXXPNVSFHPI-AWEZNQCLSA-N 0 0 453.157 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC001448996716 1066976206 /nfs/dbraw/zinc/97/62/06/1066976206.db2.gz DCMAAFRTHBJZKU-UHFFFAOYSA-N 0 0 456.562 4.903 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@@H](c3ccccc3)C(C)(C)CO)cc2)CC1 ZINC001448995170 1066976297 /nfs/dbraw/zinc/97/62/97/1066976297.db2.gz FOJYNMUVWBVCLI-SANMLTNESA-N 0 0 451.611 4.518 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001546010948 1066976636 /nfs/dbraw/zinc/97/66/36/1066976636.db2.gz VOBQEFMKOUBMDQ-OAQYLSRUSA-N 0 0 499.656 4.537 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458104579 1066976991 /nfs/dbraw/zinc/97/69/91/1066976991.db2.gz KZGXDUDSOZUUGD-YCRPNKLZSA-N 0 0 453.457 4.649 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1 ZINC001545722034 1066976951 /nfs/dbraw/zinc/97/69/51/1066976951.db2.gz MEEFUHJQGMPINW-ZJSXRUAMSA-N 0 0 462.642 4.581 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cs1 ZINC001449013146 1066977018 /nfs/dbraw/zinc/97/70/18/1066977018.db2.gz MJDBJVOONUQVNV-MAUKXSAKSA-N 0 0 454.409 4.742 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CC)Oc1ccccc1F ZINC001546010954 1066977070 /nfs/dbraw/zinc/97/70/70/1066977070.db2.gz VOLUVLQSVXDRFS-ZWKOTPCHSA-N 0 0 471.602 4.645 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458105608 1066977436 /nfs/dbraw/zinc/97/74/36/1066977436.db2.gz OUAALHBSRMEAJZ-QVKFZJNVSA-N 0 0 450.348 4.952 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@@H]1CC[C@@H](O)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001449024690 1066977737 /nfs/dbraw/zinc/97/77/37/1066977737.db2.gz VLWNJQILFDFSMR-CXAGYDPISA-N 0 0 453.391 4.615 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458107717 1066977741 /nfs/dbraw/zinc/97/77/41/1066977741.db2.gz UDGLEFSYHBEUCN-VFNWGFHPSA-N 0 0 450.348 4.952 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458107953 1066977754 /nfs/dbraw/zinc/97/77/54/1066977754.db2.gz SNIXWVGUXSZQEO-MGPUTAFESA-N 0 0 452.473 4.554 20 0 JJADRN FC(F)(F)SCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458110413 1066978553 /nfs/dbraw/zinc/97/85/53/1066978553.db2.gz SHUDSYBSJIASAI-UHFFFAOYSA-N 0 0 454.543 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC001449039082 1066978589 /nfs/dbraw/zinc/97/85/89/1066978589.db2.gz DUZBEKQARVRMHZ-UHFFFAOYSA-N 0 0 451.007 4.577 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)CSc1nc(-c2ccccc2)no1 ZINC001449039031 1066978621 /nfs/dbraw/zinc/97/86/21/1066978621.db2.gz DFIIGJBENHWMTG-UHFFFAOYSA-N 0 0 452.761 4.903 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2cnn(Cc3ccccc3)c2Cl)C(F)(F)F)cc1 ZINC001458111152 1066979076 /nfs/dbraw/zinc/97/90/76/1066979076.db2.gz ZYGXPOWFVHLQPE-KRWDZBQOSA-N 0 0 452.816 4.832 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1 ZINC001449045523 1066979094 /nfs/dbraw/zinc/97/90/94/1066979094.db2.gz QZYSYPPLAWORQA-UHFFFAOYSA-N 0 0 459.793 4.526 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@H]1CCCCO1)c1ccccc1 ZINC001545723758 1066979673 /nfs/dbraw/zinc/97/96/73/1066979673.db2.gz FLTKZKYROSJWER-UXHICEINSA-N 0 0 457.022 4.803 20 0 JJADRN C[C@@H](O)[C@](C)(CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)Cc1ccccc1 ZINC001449048002 1066979606 /nfs/dbraw/zinc/97/96/06/1066979606.db2.gz OOPREQOERODHKU-VFNWGFHPSA-N 0 0 450.804 4.880 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449047855 1066979617 /nfs/dbraw/zinc/97/96/17/1066979617.db2.gz UUXJBLWMRDGUDK-IBGZPJMESA-N 0 0 453.023 4.726 20 0 JJADRN O=C(c1cc2c(cncc2Br)s1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449050526 1066979806 /nfs/dbraw/zinc/97/98/06/1066979806.db2.gz ZYZSYXANMWXVHT-UHFFFAOYSA-N 0 0 451.773 4.836 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC001449049583 1066979849 /nfs/dbraw/zinc/97/98/49/1066979849.db2.gz VSFMXBXZOUWNIS-OAQYLSRUSA-N 0 0 458.986 4.724 20 0 JJADRN CC(C)c1ccc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cn4)C3)c2c1 ZINC001458113841 1066979814 /nfs/dbraw/zinc/97/98/14/1066979814.db2.gz QMJSTZCJCCCHEX-INIZCTEOSA-N 0 0 454.372 4.766 20 0 JJADRN CCC(=O)Nc1cccc(CNc2ncnc3c2cnn3-c2cccc(Br)c2)c1 ZINC001458114447 1066979943 /nfs/dbraw/zinc/97/99/43/1066979943.db2.gz UTMGOVGKKGQKGS-UHFFFAOYSA-N 0 0 451.328 4.539 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCO[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545723965 1066980006 /nfs/dbraw/zinc/98/00/06/1066980006.db2.gz JLADZPUACNPZCH-CWMWJYQDSA-N 0 0 481.685 4.720 20 0 JJADRN Brc1cccc(-n2ncc3c2ncnc3NCCCOCCc2ccccc2)c1 ZINC001458113957 1066979996 /nfs/dbraw/zinc/97/99/96/1066979996.db2.gz ADXULOPDKOEWAK-UHFFFAOYSA-N 0 0 452.356 4.639 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001449053445 1066980424 /nfs/dbraw/zinc/98/04/24/1066980424.db2.gz WSUKGSUOBJHATH-UHFFFAOYSA-N 0 0 454.523 4.901 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545724278 1066980848 /nfs/dbraw/zinc/98/08/48/1066980848.db2.gz OKHUVRBCTFHHCP-UGKGYDQZSA-N 0 0 459.585 4.560 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545724313 1066980895 /nfs/dbraw/zinc/98/08/95/1066980895.db2.gz OYLVCAWIVFGSCG-FCHUYYIVSA-N 0 0 482.629 4.994 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545724618 1066981116 /nfs/dbraw/zinc/98/11/16/1066981116.db2.gz UAIRQPJGNCOHCM-MRXNPFEDSA-N 0 0 485.505 4.902 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449074867 1066981237 /nfs/dbraw/zinc/98/12/37/1066981237.db2.gz OAHWOCWFDNXMKD-SLFFLAALSA-N 0 0 450.645 4.591 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCc2cccc(Cn3cccn3)c2)n1 ZINC001458121529 1066981610 /nfs/dbraw/zinc/98/16/10/1066981610.db2.gz XFGQFGUCHDHZEV-UHFFFAOYSA-N 0 0 458.225 4.562 20 0 JJADRN Cc1cc2cc(CNC(=O)c3csc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)ccc2[nH]1 ZINC001449083778 1066981693 /nfs/dbraw/zinc/98/16/93/1066981693.db2.gz YIGQIBRWVWRSAT-UHFFFAOYSA-N 0 0 454.596 4.977 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)c2c(CC(C)(C)C)noc2n1 ZINC001458122855 1066981855 /nfs/dbraw/zinc/98/18/55/1066981855.db2.gz KYSVRFGPVDLBPB-UHFFFAOYSA-N 0 0 459.930 4.831 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCc1nccs1)c1ccccc1 ZINC001545724935 1066981928 /nfs/dbraw/zinc/98/19/28/1066981928.db2.gz ZTLCTLHSJKPKRX-NRFANRHFSA-N 0 0 469.655 4.745 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2ccc(C)cc2SC)cc1OC ZINC001545724995 1066981993 /nfs/dbraw/zinc/98/19/93/1066981993.db2.gz CHZLFOSRMNQUBP-UHFFFAOYSA-N 0 0 450.560 4.916 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001449090932 1066982032 /nfs/dbraw/zinc/98/20/32/1066982032.db2.gz TVMIOCVVKFYYEE-JSGCOSHPSA-N 0 0 451.976 4.585 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)c3ccccc3n2)c(C)c1 ZINC001458123337 1066982317 /nfs/dbraw/zinc/98/23/17/1066982317.db2.gz QWKCERUBDVRIIV-OAQYLSRUSA-N 0 0 455.480 4.802 20 0 JJADRN O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC001449100220 1066982554 /nfs/dbraw/zinc/98/25/54/1066982554.db2.gz APZFHQDTUVQZCC-HXUWFJFHSA-N 0 0 459.512 4.834 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725975 1066982718 /nfs/dbraw/zinc/98/27/18/1066982718.db2.gz HFORPMRPGHNQAG-HYBUGGRVSA-N 0 0 494.684 4.776 20 0 JJADRN O=C(Nc1ccnc(Cc2ccccc2)n1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001458124498 1066982780 /nfs/dbraw/zinc/98/27/80/1066982780.db2.gz VVRRQVDVQXVBPL-UHFFFAOYSA-N 0 0 452.230 4.981 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001449103387 1066982849 /nfs/dbraw/zinc/98/28/49/1066982849.db2.gz OAULRFSHPAEFGG-JTDSTZFVSA-N 0 0 450.649 4.580 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001449103366 1066982924 /nfs/dbraw/zinc/98/29/24/1066982924.db2.gz OAULRFSHPAEFGG-GJYPPUQNSA-N 0 0 450.649 4.580 20 0 JJADRN CN(CCC(N)=O)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 ZINC001449105029 1066982994 /nfs/dbraw/zinc/98/29/94/1066982994.db2.gz HZIVQPRVYIHQLM-QINSGFPZSA-N 0 0 454.357 4.976 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC(F)(F)F)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545726128 1066982929 /nfs/dbraw/zinc/98/29/29/1066982929.db2.gz JUUXCJCHIOBMIL-IBGZPJMESA-N 0 0 465.564 4.857 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)NCCc2cc(Cl)ccc2Br)cs1 ZINC001458125863 1066983098 /nfs/dbraw/zinc/98/30/98/1066983098.db2.gz XYEGRJGBVVQDFC-UHFFFAOYSA-N 0 0 452.805 4.868 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCC1(Cc2ccccc2)CC1 ZINC001458125257 1066983132 /nfs/dbraw/zinc/98/31/32/1066983132.db2.gz NZHCWYGPPHIGLP-UHFFFAOYSA-N 0 0 455.723 4.706 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001458125196 1066983211 /nfs/dbraw/zinc/98/32/11/1066983211.db2.gz MJUGOJGVZNVYGA-UHFFFAOYSA-N 0 0 453.461 4.874 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC2CCOCC2)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545726465 1066983365 /nfs/dbraw/zinc/98/33/65/1066983365.db2.gz QCYBYKVQRDHMPX-VWLOTQADSA-N 0 0 481.685 4.866 20 0 JJADRN Cc1nnc([C@H](C)NC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)[nH]1 ZINC001449111210 1066983315 /nfs/dbraw/zinc/98/33/15/1066983315.db2.gz WCFHCFHZUSISDF-ZDUSSCGKSA-N 0 0 452.356 4.834 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)c2)n1C ZINC001458126899 1066983525 /nfs/dbraw/zinc/98/35/25/1066983525.db2.gz LXKSQYNPMLOHPM-NRFANRHFSA-N 0 0 455.603 4.840 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001545726708 1066983742 /nfs/dbraw/zinc/98/37/42/1066983742.db2.gz VXKQUCUGXFMZLX-VQTJNVASSA-N 0 0 468.614 4.516 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1c(O)cc(Br)cc1Cl ZINC001449120641 1066983794 /nfs/dbraw/zinc/98/37/94/1066983794.db2.gz OHHOZGJLAWAATN-UHFFFAOYSA-N 0 0 454.704 4.571 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 ZINC001546097266 1066983962 /nfs/dbraw/zinc/98/39/62/1066983962.db2.gz HICKXFSXAHKWRP-LAUBAEHRSA-N 0 0 453.603 4.855 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)Cc1cc(Br)ccc1Cl ZINC001449128035 1066984222 /nfs/dbraw/zinc/98/42/22/1066984222.db2.gz 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CNc1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc(Cl)n1 ZINC001449144212 1066985429 /nfs/dbraw/zinc/98/54/29/1066985429.db2.gz CXJQHDGROKTDIV-MRXNPFEDSA-N 0 0 451.796 4.555 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC001458136485 1066985441 /nfs/dbraw/zinc/98/54/41/1066985441.db2.gz SQESLHHTKJOTSK-QGZVFWFLSA-N 0 0 453.461 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1CC(C)(C)C1)c1ccccc1 ZINC001545728309 1066985455 /nfs/dbraw/zinc/98/54/55/1066985455.db2.gz JSINAUKROAAEQZ-NKKJXINNSA-N 0 0 481.685 4.624 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001449158401 1066985800 /nfs/dbraw/zinc/98/58/00/1066985800.db2.gz WZWGITVSMGEMTB-KRWDZBQOSA-N 0 0 459.413 4.916 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545728454 1066985890 /nfs/dbraw/zinc/98/58/90/1066985890.db2.gz LORGFDBNQBOKBG-YOSAUDMPSA-N 0 0 450.631 4.784 20 0 JJADRN CC[C@@H](c1nnc(N(CCC(C)C)C2CC2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728899 1066986688 /nfs/dbraw/zinc/98/66/88/1066986688.db2.gz TVNWQIJSQFABDX-DHIUTWEWSA-N 0 0 458.672 4.802 20 0 JJADRN CC[C@H](c1nnc(N(CCC(C)C)C2CC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728900 1066986723 /nfs/dbraw/zinc/98/67/23/1066986723.db2.gz TVNWQIJSQFABDX-GOTSBHOMSA-N 0 0 458.672 4.802 20 0 JJADRN CC[C@H](c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545729113 1066986789 /nfs/dbraw/zinc/98/67/89/1066986789.db2.gz WZLPPXQHFVVKBH-NRFANRHFSA-N 0 0 480.625 4.659 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001545728993 1066986845 /nfs/dbraw/zinc/98/68/45/1066986845.db2.gz UZRCSKXFACNYPB-CVDCTZTESA-N 0 0 460.626 4.767 20 0 JJADRN CCc1ccc([C@@H]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C2)cc1 ZINC001449168205 1066987074 /nfs/dbraw/zinc/98/70/74/1066987074.db2.gz XKIFHNTWCUUPKU-WOJBJXKFSA-N 0 0 455.396 4.771 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1c(C)nn(C)c1C)c1ccccc1 ZINC001545729316 1066987152 /nfs/dbraw/zinc/98/71/52/1066987152.db2.gz ZXAHTENNFWQPCS-OAQYLSRUSA-N 0 0 450.631 4.612 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC001545730037 1066987178 /nfs/dbraw/zinc/98/71/78/1066987178.db2.gz PPSMHUABXMUZGB-MJGOQNOKSA-N 0 0 454.542 4.822 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC001458143405 1066987286 /nfs/dbraw/zinc/98/72/86/1066987286.db2.gz LFJKNWVEDYOAQB-UHFFFAOYSA-N 0 0 453.848 4.925 20 0 JJADRN Cn1c(C(=O)N2CCC[C@@H](c3ccncc3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449175875 1066987342 /nfs/dbraw/zinc/98/73/42/1066987342.db2.gz JJHNLMYVOXWKMM-IRLDBZIGSA-N 0 0 452.599 4.902 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC001458147241 1066987936 /nfs/dbraw/zinc/98/79/36/1066987936.db2.gz ZYTPNQBMAUNOAJ-FQEVSTJZSA-N 0 0 451.017 4.984 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545730479 1066987911 /nfs/dbraw/zinc/98/79/11/1066987911.db2.gz APQQUSNTZBCESE-JAXLGGSGSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545730476 1066987929 /nfs/dbraw/zinc/98/79/29/1066987929.db2.gz AOJNPEYKABJDKZ-FCIYXJNOSA-N 0 0 471.646 4.594 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccnc(SC)c1)c1ccccc1 ZINC001545730486 1066987954 /nfs/dbraw/zinc/98/79/54/1066987954.db2.gz AQAALLDGARWVFD-WIYYLYMNSA-N 0 0 451.640 4.989 20 0 JJADRN CC(C)[C@H](NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1ccc(C(F)(F)F)cc1 ZINC001458147369 1066988036 /nfs/dbraw/zinc/98/80/36/1066988036.db2.gz LEKCNQJUHYLUEU-KRWDZBQOSA-N 0 0 457.378 4.827 20 0 JJADRN O=C(Nc1ccc(Sc2ccncc2)cc1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001458148478 1066988251 /nfs/dbraw/zinc/98/82/51/1066988251.db2.gz QZERXYVIBUTUGP-UHFFFAOYSA-N 0 0 459.980 4.533 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545730575 1066988325 /nfs/dbraw/zinc/98/83/25/1066988325.db2.gz BVMUVXIXLPLUAR-AJTFRIOCSA-N 0 0 470.658 4.657 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545730923 1066988787 /nfs/dbraw/zinc/98/87/87/1066988787.db2.gz HYVOEIIGUBVTBN-BOCKYXSRSA-N 0 0 466.548 4.793 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC001449196959 1066988958 /nfs/dbraw/zinc/98/89/58/1066988958.db2.gz RLUCHHGPESUBGP-JOCHJYFZSA-N 0 0 452.599 4.661 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCc3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 ZINC001546097549 1066989055 /nfs/dbraw/zinc/98/90/55/1066989055.db2.gz MEXCIZCJEWZQJB-DEOSSOPVSA-N 0 0 473.543 4.725 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@H](C)CC)cc2nc1CC ZINC001458152125 1066989062 /nfs/dbraw/zinc/98/90/62/1066989062.db2.gz GHFOLHJEFWXAGQ-WINIVTDRSA-N 0 0 459.638 4.831 20 0 JJADRN 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O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3Cl)n2)C1 ZINC001449316893 1066998726 /nfs/dbraw/zinc/99/87/26/1066998726.db2.gz BMNBDYAZQIHJSP-LJQANCHMSA-N 0 0 451.954 4.739 20 0 JJADRN CC(C)(C(=O)NCC1(c2ccc(Br)s2)CCC1)c1ccc2c(c1)OCCO2 ZINC001449316133 1066998750 /nfs/dbraw/zinc/99/87/50/1066998750.db2.gz JCHZZBFCERDPRD-UHFFFAOYSA-N 0 0 450.398 4.798 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2coc(-c3ccccc3Cl)n2)C1 ZINC001449316890 1066998794 /nfs/dbraw/zinc/99/87/94/1066998794.db2.gz BMNBDYAZQIHJSP-IBGZPJMESA-N 0 0 451.954 4.739 20 0 JJADRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001458184746 1066999329 /nfs/dbraw/zinc/99/93/29/1066999329.db2.gz LXOGJIWAHFXHHU-UHFFFAOYSA-N 0 0 459.403 4.567 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)cc(C)cc1C ZINC001458184335 1066999343 /nfs/dbraw/zinc/99/93/43/1066999343.db2.gz AMWPZNWLIVFGDA-HHHXNRCGSA-N 0 0 452.595 4.646 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCc1cnn(C)c1)c1ccccc1 ZINC001545736213 1066999772 /nfs/dbraw/zinc/99/97/72/1066999772.db2.gz MINLMPYNVZOPEC-OAQYLSRUSA-N 0 0 460.548 4.965 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545736093 1066999782 /nfs/dbraw/zinc/99/97/82/1066999782.db2.gz KTGMUQJWNSVYDY-LJQANCHMSA-N 0 0 465.564 4.904 20 0 JJADRN CC(C)c1c(C(=O)NCCOc2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458185332 1066999844 /nfs/dbraw/zinc/99/98/44/1066999844.db2.gz BPASYYUCFUPTDT-UHFFFAOYSA-N 0 0 452.864 4.872 20 0 JJADRN CCOCCC1(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001458185988 1067000154 /nfs/dbraw/zinc/00/01/54/1067000154.db2.gz IVSGXCGWWFWUEI-UXHICEINSA-N 0 0 451.007 4.614 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)OC ZINC001546013162 1067000339 /nfs/dbraw/zinc/00/03/39/1067000339.db2.gz VWUCEDLDEHQCJO-SUMDDJOVSA-N 0 0 469.413 4.594 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)(COC)CC2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545736714 1067000994 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CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)CC(C)C)c2)CCO1 ZINC001546098038 1067003472 /nfs/dbraw/zinc/00/34/72/1067003472.db2.gz VOMVAVOECFNNGY-SANMLTNESA-N 0 0 481.666 4.969 20 0 JJADRN CC(C)n1ncc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1-c1ccccc1 ZINC001458210401 1067003533 /nfs/dbraw/zinc/00/35/33/1067003533.db2.gz BKPFYBJSNZBJAW-NNWRFLSQSA-N 0 0 452.599 4.896 20 0 JJADRN Cc1ccc(OCCCC(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(Cl)c1 ZINC001458210609 1067003754 /nfs/dbraw/zinc/00/37/54/1067003754.db2.gz DKVDMTAPIGEATC-NSHGMRRFSA-N 0 0 451.007 4.959 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)OCc3ccc(F)cc3C)cc2OC)cc1 ZINC001458212213 1067003893 /nfs/dbraw/zinc/00/38/93/1067003893.db2.gz JEPHLPZZNZTSCW-UHFFFAOYSA-N 0 0 453.466 4.526 20 0 JJADRN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001458213051 1067004168 /nfs/dbraw/zinc/00/41/68/1067004168.db2.gz ZDMCYVONVXTWOD-LJQANCHMSA-N 0 0 457.326 4.670 20 0 JJADRN COCc1ccccc1COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001458212972 1067004210 /nfs/dbraw/zinc/00/42/10/1067004210.db2.gz KHUSQOYGMWGREU-UHFFFAOYSA-N 0 0 459.951 4.669 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545739158 1067004273 /nfs/dbraw/zinc/00/42/73/1067004273.db2.gz URVQVSHWOBCVKB-OAQYLSRUSA-N 0 0 457.688 4.656 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545738961 1067004320 /nfs/dbraw/zinc/00/43/20/1067004320.db2.gz QZRGSEGDCHHEIA-RPWUZVMVSA-N 0 0 497.684 4.940 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)c(=O)[nH]c21 ZINC001449364334 1067004317 /nfs/dbraw/zinc/00/43/17/1067004317.db2.gz BXKOYYZCJFDGRO-BLGFXRMMSA-N 0 0 458.484 4.744 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(Br)c(Cl)c3)C[C@H]21 ZINC001458214092 1067004377 /nfs/dbraw/zinc/00/43/77/1067004377.db2.gz OKMAZJHNCANAQB-CKEIUWERSA-N 0 0 457.796 4.868 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545739343 1067004648 /nfs/dbraw/zinc/00/46/48/1067004648.db2.gz YITZZGHPCXBMOM-GMAHTHKFSA-N 0 0 493.618 4.957 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545739341 1067004668 /nfs/dbraw/zinc/00/46/68/1067004668.db2.gz YITZZGHPCXBMOM-FYYLOGMGSA-N 0 0 493.618 4.957 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545739281 1067004679 /nfs/dbraw/zinc/00/46/79/1067004679.db2.gz XJYDZSHPZAGJGW-FOJYNEPKSA-N 0 0 481.685 4.896 20 0 JJADRN C[C@@H](Nc1ncnc2ccc(I)cc21)[C@@H](O)c1c(F)cccc1Cl ZINC001458214283 1067004774 /nfs/dbraw/zinc/00/47/74/1067004774.db2.gz YEZJALCXSCFEFR-JDNHERCYSA-N 0 0 457.674 4.561 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001458216248 1067005149 /nfs/dbraw/zinc/00/51/49/1067005149.db2.gz ZNLYLVPKBJTDLN-ILRDRHFLSA-N 0 0 456.505 4.625 20 0 JJADRN CCC(CC)Oc1ccc(C(=O)NC(C)(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC001449375908 1067005164 /nfs/dbraw/zinc/00/51/64/1067005164.db2.gz HYGUIVFBKDCIRB-UHFFFAOYSA-N 0 0 451.611 4.501 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001545739809 1067005322 /nfs/dbraw/zinc/00/53/22/1067005322.db2.gz JNOVSXRLKHFNMD-RTWAWAEBSA-N 0 0 459.631 4.501 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001458217325 1067005530 /nfs/dbraw/zinc/00/55/30/1067005530.db2.gz YNMMAJUYWPKHFH-SWYGEHPESA-N 0 0 453.377 4.597 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449377990 1067005801 /nfs/dbraw/zinc/00/58/01/1067005801.db2.gz WLBIBZRKNPDVBW-XLNAKTSKSA-N 0 0 456.505 4.789 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545740829 1067006318 /nfs/dbraw/zinc/00/63/18/1067006318.db2.gz DZFNRMDUYVGCDV-DHIUTWEWSA-N 0 0 483.657 4.883 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2=O)cc1 ZINC001458220382 1067006432 /nfs/dbraw/zinc/00/64/32/1067006432.db2.gz SJUQVEPISKTLLA-KRWDZBQOSA-N 0 0 456.468 4.835 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCOCC1 ZINC001458220031 1067006484 /nfs/dbraw/zinc/00/64/84/1067006484.db2.gz FNTDYEBTRNUCMH-AWEZNQCLSA-N 0 0 456.530 4.791 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545740837 1067006514 /nfs/dbraw/zinc/00/65/14/1067006514.db2.gz FCWMLNRPRALBRK-CWKRKGSWSA-N 0 0 483.657 4.691 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)c2ccc(Cl)cc2)CCO1 ZINC001546098169 1067006538 /nfs/dbraw/zinc/00/65/38/1067006538.db2.gz YNLJTINGRXPZEQ-OFNKIYASSA-N 0 0 461.031 4.977 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](OC)c2ccc(Cl)cc2)CCO1 ZINC001546098170 1067006548 /nfs/dbraw/zinc/00/65/48/1067006548.db2.gz YNLJTINGRXPZEQ-REWPJTCUSA-N 0 0 461.031 4.977 20 0 JJADRN Cc1ccc(-c2nnn(CC(=O)N[C@H](c3ccccc3)c3cc(Cl)ccc3Cl)n2)cc1 ZINC001458220697 1067006578 /nfs/dbraw/zinc/00/65/78/1067006578.db2.gz IQNKOPMVZNJAPE-JOCHJYFZSA-N 0 0 452.345 4.861 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001449402929 1067006661 /nfs/dbraw/zinc/00/66/61/1067006661.db2.gz CAGLTSUPPBVDPS-IBGZPJMESA-N 0 0 456.558 4.631 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001449402876 1067006682 /nfs/dbraw/zinc/00/66/82/1067006682.db2.gz JARVKLGDAUBIJA-IBGZPJMESA-N 0 0 459.871 4.793 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545741023 1067006795 /nfs/dbraw/zinc/00/67/95/1067006795.db2.gz ILONANCVTPVYGW-HOFKKMOUSA-N 0 0 495.693 4.530 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)NCCCCc2ccc(Cl)s2)cc1OC ZINC001449404326 1067007036 /nfs/dbraw/zinc/00/70/36/1067007036.db2.gz LYJHQBXYYSUMEQ-ZFWWWQNUSA-N 0 0 450.988 4.766 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@](C)(O)c1ccsc1)c1ccccc1 ZINC001545741026 1067007267 /nfs/dbraw/zinc/00/72/67/1067007267.db2.gz ILONANCVTPVYGW-YIXXDRMTSA-N 0 0 495.693 4.530 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)COc1ccc(I)cc1 ZINC001458226549 1067007508 /nfs/dbraw/zinc/00/75/08/1067007508.db2.gz AUOLBDOSCRANQD-UHFFFAOYSA-N 0 0 450.301 4.741 20 0 JJADRN O=C(Nc1ccc2cccc(Cl)c2n1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458227152 1067007348 /nfs/dbraw/zinc/00/73/48/1067007348.db2.gz AUDCXXREVTXAJY-OAHLLOKOSA-N 0 0 459.880 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Cc2c(Cl)cccc2Br)C1 ZINC001458229613 1067007707 /nfs/dbraw/zinc/00/77/07/1067007707.db2.gz KZJFKOUCKULJMF-HXUWFJFHSA-N 0 0 459.812 4.798 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc4c(c3)N(CC(F)F)CCS4)c2N1 ZINC001449407533 1067007798 /nfs/dbraw/zinc/00/77/98/1067007798.db2.gz VONQKLBEADUBEL-MEBBXXQBSA-N 0 0 461.460 4.620 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3cccc(Cl)c3n1)C2=O ZINC001458228568 1067007907 /nfs/dbraw/zinc/00/79/07/1067007907.db2.gz FYKWWBGBTMHYEU-UHFFFAOYSA-N 0 0 456.974 4.744 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)Nc3nc(Cc4ccccc4Br)cs3)ccc21 ZINC001458229638 1067008207 /nfs/dbraw/zinc/00/82/07/1067008207.db2.gz AKBHZEZEJWNGQR-UHFFFAOYSA-N 0 0 456.365 4.658 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)n2)c1 ZINC001449414813 1067008653 /nfs/dbraw/zinc/00/86/53/1067008653.db2.gz PFWFMJNGJNIHKT-GOSISDBHSA-N 0 0 459.369 4.562 20 0 JJADRN CC[C@@H](CNc1nc(C)ncc1I)Oc1ccccc1C(F)(F)F ZINC001458233787 1067008992 /nfs/dbraw/zinc/00/89/92/1067008992.db2.gz PVMUPEHGBNQSIA-NSHDSACASA-N 0 0 451.230 4.678 20 0 JJADRN Cc1nc(CC(C)C)c(NC(=O)CCC(=O)c2ccc(I)cc2)s1 ZINC001545742821 1067009328 /nfs/dbraw/zinc/00/93/28/1067009328.db2.gz YGMDQMCOCGSXIQ-UHFFFAOYSA-N 0 0 456.349 4.856 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cc(Cl)cnc1OC(C)C ZINC001449420999 1067009283 /nfs/dbraw/zinc/00/92/83/1067009283.db2.gz CFOQIRSYRRABHW-UHFFFAOYSA-N 0 0 455.736 4.895 20 0 JJADRN CCCc1c(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cnn1Cc1ccccc1 ZINC001458234676 1067009406 /nfs/dbraw/zinc/00/94/06/1067009406.db2.gz YYFDJWAKFXRXGB-AREMUKBSSA-N 0 0 454.615 4.651 20 0 JJADRN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001449424209 1067009327 /nfs/dbraw/zinc/00/93/27/1067009327.db2.gz WMXBEADTXMKUGC-UHFFFAOYSA-N 0 0 455.331 4.677 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743057 1067009472 /nfs/dbraw/zinc/00/94/72/1067009472.db2.gz CTZQGHWSKRPXLY-ZJSXRUAMSA-N 0 0 479.591 4.711 20 0 JJADRN CC[C@H](c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545743262 1067009628 /nfs/dbraw/zinc/00/96/28/1067009628.db2.gz HAFPEVQDQBREGQ-NRFANRHFSA-N 0 0 486.707 4.873 20 0 JJADRN CCOC(=O)c1oc(N(CC)CCOc2ccc(Br)cc2)nc1C(F)(F)F ZINC001458240905 1067010071 /nfs/dbraw/zinc/01/00/71/1067010071.db2.gz DDXJYRWSQNDUFV-UHFFFAOYSA-N 0 0 451.239 4.538 20 0 JJADRN O=C(NC[C@@H]1CCCCS1(=O)=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001458241488 1067010551 /nfs/dbraw/zinc/01/05/51/1067010551.db2.gz CJBFANZCTCSOPO-LPHOPBHVSA-N 0 0 458.432 4.910 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1cccs1)OC ZINC001546014501 1067010458 /nfs/dbraw/zinc/01/04/58/1067010458.db2.gz JRCLKBJUBFBRFZ-FGTMMUONSA-N 0 0 463.648 4.562 20 0 JJADRN C[C@H](Cc1cccc(O)c1)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001449465591 1067010602 /nfs/dbraw/zinc/01/06/02/1067010602.db2.gz FYUOCYIPZHRYCR-SNVBAGLBSA-N 0 0 459.255 4.660 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001458244206 1067010838 /nfs/dbraw/zinc/01/08/38/1067010838.db2.gz MNKANXCFQJXLPM-UHFFFAOYSA-N 0 0 452.551 4.942 20 0 JJADRN CC1(C)CCC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001585180172 1067011008 /nfs/dbraw/zinc/01/10/08/1067011008.db2.gz YUHNGDWNVDXBBL-SECBINFHSA-N 0 0 454.121 4.891 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 ZINC001458245579 1067011118 /nfs/dbraw/zinc/01/11/18/1067011118.db2.gz 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454.640 4.795 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545746679 1067015423 /nfs/dbraw/zinc/01/54/23/1067015423.db2.gz SSYZBWZQDKARBD-RBBKRZOGSA-N 0 0 485.673 4.722 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545746727 1067015668 /nfs/dbraw/zinc/01/56/68/1067015668.db2.gz UCRQVRPVKQINLG-WNCULLNHSA-N 0 0 467.658 4.618 20 0 JJADRN COc1ncc(Br)c(N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001458260660 1067015825 /nfs/dbraw/zinc/01/58/25/1067015825.db2.gz JNOPHOFPFISGLD-AWEZNQCLSA-N 0 0 450.381 4.528 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001458263443 1067016128 /nfs/dbraw/zinc/01/61/28/1067016128.db2.gz HMAOEJCEAPHBJU-MEPUESOJSA-N 0 0 451.979 4.645 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001458263432 1067016175 /nfs/dbraw/zinc/01/61/75/1067016175.db2.gz HMAOEJCEAPHBJU-LSSXRZCCSA-N 0 0 451.979 4.645 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001449585639 1067016208 /nfs/dbraw/zinc/01/62/08/1067016208.db2.gz PGGYYTAZLSGBPS-MBSDFSHPSA-N 0 0 456.627 4.827 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CSCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458266195 1067016463 /nfs/dbraw/zinc/01/64/63/1067016463.db2.gz NLKQPKJQNVQNIP-UGKGYDQZSA-N 0 0 452.954 4.718 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC001546098756 1067016575 /nfs/dbraw/zinc/01/65/75/1067016575.db2.gz MMSKRZPKGZKIBU-SCLBCKFNSA-N 0 0 455.190 4.630 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545747177 1067016747 /nfs/dbraw/zinc/01/67/47/1067016747.db2.gz ZXMGUYYEVZPCIB-PMACEKPBSA-N 0 0 466.548 4.530 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449598106 1067016921 /nfs/dbraw/zinc/01/69/21/1067016921.db2.gz DBECRFZWKRHXRD-UHFFFAOYSA-N 0 0 459.514 4.627 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCNC(=O)NC3CCCCC3)cc2)cc1 ZINC001545747282 1067017023 /nfs/dbraw/zinc/01/70/23/1067017023.db2.gz BZCATBSADPTHED-UHFFFAOYSA-N 0 0 451.611 4.925 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)nc1 ZINC001458271080 1067017407 /nfs/dbraw/zinc/01/74/07/1067017407.db2.gz FEWNRVKUOYNCIE-NRFANRHFSA-N 0 0 458.436 4.805 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2s1)c1c[nH]c(=O)c(Br)c1 ZINC001449608430 1067017739 /nfs/dbraw/zinc/01/77/39/1067017739.db2.gz PRKZVYBMOABUST-KRWDZBQOSA-N 0 0 454.349 4.873 20 0 JJADRN CCOC(=O)c1sc2ncnc(Oc3cccc(F)c3I)c2c1C ZINC001458273235 1067018162 /nfs/dbraw/zinc/01/81/62/1067018162.db2.gz CFEJLLFKPAEICL-UHFFFAOYSA-N 0 0 458.252 4.712 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@](C)(O)CCC(C)C)c1ccccc1 ZINC001545748775 1067018291 /nfs/dbraw/zinc/01/82/91/1067018291.db2.gz FOTOMVKOJLHENW-PRVBGKCFSA-N 0 0 481.685 4.598 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1CCOc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545748796 1067018429 /nfs/dbraw/zinc/01/84/29/1067018429.db2.gz FURQMHLYCAOTHU-WOJBJXKFSA-N 0 0 489.542 4.928 20 0 JJADRN CC(C)Cc1ncnc(N[C@@H](C)Cc2nc3ccccc3s2)c1I ZINC001458273512 1067018647 /nfs/dbraw/zinc/01/86/47/1067018647.db2.gz ARIOUDONWFCMBD-LBPRGKRZSA-N 0 0 452.365 4.933 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001449637900 1067018713 /nfs/dbraw/zinc/01/87/13/1067018713.db2.gz FAGQSKNYSOKBNQ-ZJSXRUAMSA-N 0 0 456.652 4.743 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc4c(Br)ccnc34)n[nH]2)c(OC)c1 ZINC001449636082 1067018891 /nfs/dbraw/zinc/01/88/91/1067018891.db2.gz KQAWXAWZUVXAPY-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC001449637707 1067018973 /nfs/dbraw/zinc/01/89/73/1067018973.db2.gz UTMBPFGGBPRXBF-IBGZPJMESA-N 0 0 452.392 4.857 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCc1cccs1)c1ccccc1 ZINC001545748973 1067018844 /nfs/dbraw/zinc/01/88/44/1067018844.db2.gz HWKHFTMHWVTQFG-FYYLOGMGSA-N 0 0 465.667 4.865 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCc1cccs1)c1ccccc1 ZINC001545748975 1067018892 /nfs/dbraw/zinc/01/88/92/1067018892.db2.gz HWKHFTMHWVTQFG-GMAHTHKFSA-N 0 0 465.667 4.865 20 0 JJADRN CC(C)Cc1ncnc(N2CC[C@H](Oc3ccccc3Cl)C2)c1I ZINC001458275006 1067019117 /nfs/dbraw/zinc/01/91/17/1067019117.db2.gz FQGPHJICBDQBHV-ZDUSSCGKSA-N 0 0 457.743 4.591 20 0 JJADRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCOc1ccc2ccccc2c1 ZINC001449665825 1067019143 /nfs/dbraw/zinc/01/91/43/1067019143.db2.gz XYFIQCCBFGBIRZ-GOSISDBHSA-N 0 0 456.380 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Oc2ccc(F)c(Br)c2)(C(F)(F)F)C1 ZINC001458276860 1067019577 /nfs/dbraw/zinc/01/95/77/1067019577.db2.gz ADSQPTHJWRXOJO-MRXNPFEDSA-N 0 0 456.230 4.683 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(OC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC001458277593 1067019587 /nfs/dbraw/zinc/01/95/87/1067019587.db2.gz PJFYDGMOUZMKNI-UHFFFAOYSA-N 0 0 459.429 4.829 20 0 JJADRN Cc1c(C(=O)Oc2ccc(F)c(Br)c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001458278239 1067019617 /nfs/dbraw/zinc/01/96/17/1067019617.db2.gz DNDYKZSABZZEOK-UHFFFAOYSA-N 0 0 451.317 4.614 20 0 JJADRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1ccc(SC(F)(F)F)o1 ZINC001449665682 1067019477 /nfs/dbraw/zinc/01/94/77/1067019477.db2.gz XMVXROJLYCHJIC-NSHDSACASA-N 0 0 452.292 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC001449681515 1067019716 /nfs/dbraw/zinc/01/97/16/1067019716.db2.gz VAQYUFOUVJMSPZ-JOCHJYFZSA-N 0 0 458.549 4.849 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001449679237 1067019843 /nfs/dbraw/zinc/01/98/43/1067019843.db2.gz LRRNJJVRBRWVDA-HNNXBMFYSA-N 0 0 455.889 4.678 20 0 JJADRN COC(=O)c1sc2nc(C)nc(N(Cc3ccccc3)C[C@H](O)c3cccs3)c2c1C ZINC001458279288 1067019882 /nfs/dbraw/zinc/01/98/82/1067019882.db2.gz VMEYFBRLYHPBPV-KRWDZBQOSA-N 0 0 453.589 4.896 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](COC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545749469 1067020185 /nfs/dbraw/zinc/02/01/85/1067020185.db2.gz OLXVABNEYCTTAP-GMAHTHKFSA-N 0 0 493.618 4.957 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C[C@H](C)N1CCO ZINC001449688146 1067020258 /nfs/dbraw/zinc/02/02/58/1067020258.db2.gz VGQBBZPYVXIMJX-MRUHUIDDSA-N 0 0 453.435 4.740 20 0 JJADRN Cc1cc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC001458281659 1067020552 /nfs/dbraw/zinc/02/05/52/1067020552.db2.gz FVCQMQLEBKTSSU-UHFFFAOYSA-N 0 0 459.303 4.835 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545749473 1067020633 /nfs/dbraw/zinc/02/06/33/1067020633.db2.gz OMCMIVQOLWQUQB-PKTZIBPZSA-N 0 0 450.631 4.982 20 0 JJADRN CCOC(=O)c1oc(N[C@H](C)[C@H](OC)c2ccc(Br)cc2)nc1C(F)(F)F ZINC001458282811 1067021116 /nfs/dbraw/zinc/02/11/16/1067021116.db2.gz SYBRXHAUZLOPDG-SKDRFNHKSA-N 0 0 451.239 4.821 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC001449695276 1067021322 /nfs/dbraw/zinc/02/13/22/1067021322.db2.gz JGOYEADURYQTKJ-BBRMVZONSA-N 0 0 450.448 4.960 20 0 JJADRN CC[C@H](OC(=O)CCS(=O)(=O)c1cccc(Br)c1)c1cc(C)ccc1OC ZINC001458287500 1067021948 /nfs/dbraw/zinc/02/19/48/1067021948.db2.gz XDSOIYINDSGFMC-SFHVURJKSA-N 0 0 455.370 4.624 20 0 JJADRN Cc1ccc(SCC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC001458287379 1067022022 /nfs/dbraw/zinc/02/20/22/1067022022.db2.gz HILBCKHOCJSNJX-IBGZPJMESA-N 0 0 450.526 4.722 20 0 JJADRN Clc1cc(NC2CCN(Cc3ccc(Br)cc3)CC2)nc([C@H]2CCCO2)n1 ZINC001458289934 1067022230 /nfs/dbraw/zinc/02/22/30/1067022230.db2.gz IBVZRKSGYQGMRI-QGZVFWFLSA-N 0 0 451.796 4.821 20 0 JJADRN Cn1nccc1[C@@H]1C[C@H](NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC001449710896 1067022341 /nfs/dbraw/zinc/02/23/41/1067022341.db2.gz YSCRFWCEOWQVSC-SFLYRZDNSA-N 0 0 456.011 4.933 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2c3c(sc2-n2cccc2)CCC3)cc1OC ZINC001449712960 1067022593 /nfs/dbraw/zinc/02/25/93/1067022593.db2.gz NJKNYHWBMZGEQA-UHFFFAOYSA-N 0 0 454.592 4.806 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545751189 1067022817 /nfs/dbraw/zinc/02/28/17/1067022817.db2.gz AMUSGMLNEARSNY-HSZRJFAPSA-N 0 0 485.673 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NC3CCC(OC(F)F)CC3)cs2)CC1 ZINC001449717364 1067022957 /nfs/dbraw/zinc/02/29/57/1067022957.db2.gz ZNETWBNEVVANJX-UHFFFAOYSA-N 0 0 459.559 4.538 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545750253 1067023065 /nfs/dbraw/zinc/02/30/65/1067023065.db2.gz ZWODACAGCMXEET-DHIUTWEWSA-N 0 0 465.667 4.979 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc2ccc(F)cc2s1 ZINC001458294111 1067023134 /nfs/dbraw/zinc/02/31/34/1067023134.db2.gz SPWCBFSQVISWAP-QGZVFWFLSA-N 0 0 450.457 4.980 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1 ZINC001449717898 1067023423 /nfs/dbraw/zinc/02/34/23/1067023423.db2.gz ZHMFJXCHOLKOPR-IOMROCGXSA-N 0 0 458.647 4.645 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)C2(c3cccs3)CCCCC2)cc1Br ZINC001449733334 1067023626 /nfs/dbraw/zinc/02/36/26/1067023626.db2.gz QBIOXFJKUPRJPH-GOSISDBHSA-N 0 0 450.442 4.988 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)C1(Cc2cccc(Cl)c2)CC1 ZINC001449740256 1067024053 /nfs/dbraw/zinc/02/40/53/1067024053.db2.gz LJLAVUIMPPPABW-HNNXBMFYSA-N 0 0 454.767 4.532 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)c1cc(Cl)cc(Cl)c1F ZINC001449744105 1067024631 /nfs/dbraw/zinc/02/46/31/1067024631.db2.gz RDCAARNXEKOOFU-VIFPVBQESA-N 0 0 453.110 4.615 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751745 1067025674 /nfs/dbraw/zinc/02/56/74/1067025674.db2.gz KMSSFOLSZPNDPG-SONWIMMPSA-N 0 0 481.685 4.720 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1)OC ZINC001546017107 1067025913 /nfs/dbraw/zinc/02/59/13/1067025913.db2.gz OTCBCYWCUDNMBQ-YYWHXJBOSA-N 0 0 473.618 4.678 20 0 JJADRN CN1CCCc2cc(COC(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)ccc21 ZINC001458308907 1067026039 /nfs/dbraw/zinc/02/60/39/1067026039.db2.gz LGROWYCQQFSVLR-FPSGLDNTSA-N 0 0 452.982 4.860 20 0 JJADRN CC[C@H](Cn1c(N2CCC(Cn3cccn3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017143 1067026301 /nfs/dbraw/zinc/02/63/01/1067026301.db2.gz PHVHXNFEWUENOT-OAQYLSRUSA-N 0 0 454.594 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545752048 1067026497 /nfs/dbraw/zinc/02/64/97/1067026497.db2.gz PURDVRKLMZBNFY-UBFVSLLYSA-N 0 0 497.684 4.940 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545752127 1067026622 /nfs/dbraw/zinc/02/66/22/1067026622.db2.gz RGRLBRFTWDNSQU-ILWGZMRPSA-N 0 0 479.591 4.567 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016652 1067026672 /nfs/dbraw/zinc/02/66/72/1067026672.db2.gz IBBJAQFXYLALTC-ZLNRFVROSA-N 0 0 496.700 4.937 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545752183 1067026930 /nfs/dbraw/zinc/02/69/30/1067026930.db2.gz SEMWYLRKEBLNRE-OYRHQHFDSA-N 0 0 481.685 4.720 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)NC1(C(F)(F)F)CC1 ZINC001449766837 1067027081 /nfs/dbraw/zinc/02/70/81/1067027081.db2.gz HUELQHNRHIMXQB-UHFFFAOYSA-N 0 0 454.424 4.516 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)OC(C)(C)C)CC3)cc2)nc1 ZINC001449772382 1067027437 /nfs/dbraw/zinc/02/74/37/1067027437.db2.gz CSPGZSFFZIRLHA-VWNXMTODSA-N 0 0 481.593 4.717 20 0 JJADRN O=C(CCc1cccc(F)c1Br)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001458314383 1067027732 /nfs/dbraw/zinc/02/77/32/1067027732.db2.gz HDKRQNNGFOMVGU-UHFFFAOYSA-N 0 0 453.205 4.834 20 0 JJADRN C[C@@H](CO)n1c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2nc1C(F)(F)F ZINC001449788652 1067028127 /nfs/dbraw/zinc/02/81/27/1067028127.db2.gz DNLOQIXRSJEGFP-KPZWWZAWSA-N 0 0 454.880 4.503 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC1(O)CCCCC1)c1ccccc1 ZINC001545752418 1067028145 /nfs/dbraw/zinc/02/81/45/1067028145.db2.gz XGUYYIMUYIJHDL-XMMPIXPASA-N 0 0 497.684 4.820 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001458315117 1067028195 /nfs/dbraw/zinc/02/81/95/1067028195.db2.gz XMBVVUJKRXAJLE-OAQYLSRUSA-N 0 0 454.567 4.599 20 0 JJADRN COc1ccc([C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(Br)c1 ZINC001458317357 1067028648 /nfs/dbraw/zinc/02/86/48/1067028648.db2.gz LKCLXMLLJWYLNI-KBPBESRZSA-N 0 0 450.304 4.563 20 0 JJADRN O=C(CCCc1ccc(Br)s1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001458317344 1067028661 /nfs/dbraw/zinc/02/86/61/1067028661.db2.gz SYIHRYOWPUARSA-UHFFFAOYSA-N 0 0 450.324 4.912 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001545752744 1067028732 /nfs/dbraw/zinc/02/87/32/1067028732.db2.gz CERWZCPNKNJETG-HXUWFJFHSA-N 0 0 459.493 4.879 20 0 JJADRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001449794082 1067028965 /nfs/dbraw/zinc/02/89/65/1067028965.db2.gz VAANFFKRGANTTN-GFCCVEGCSA-N 0 0 459.193 4.871 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001458319023 1067029040 /nfs/dbraw/zinc/02/90/40/1067029040.db2.gz AXPNWGIDKDEEEO-SJCJKPOMSA-N 0 0 451.386 4.674 20 0 JJADRN C[C@@H](CO)n1c2ccc(NC(=O)Cn3ccc4ccc(Cl)cc43)cc2nc1C(F)(F)F ZINC001449797150 1067029392 /nfs/dbraw/zinc/02/93/92/1067029392.db2.gz JFCIVYYBXBOBLW-LBPRGKRZSA-N 0 0 450.848 4.855 20 0 JJADRN CC[C@H](Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546016927 1067029446 /nfs/dbraw/zinc/02/94/46/1067029446.db2.gz LNYKXHOPSYKARX-IEBWSBKVSA-N 0 0 459.591 4.607 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1)NC(=O)OC(C)(C)C ZINC001546016911 1067029565 /nfs/dbraw/zinc/02/95/65/1067029565.db2.gz LHBXBNPJPYAOIB-FGZHOGPDSA-N 0 0 483.657 4.667 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545753929 1067029731 /nfs/dbraw/zinc/02/97/31/1067029731.db2.gz BBKYYHWTNCMBDC-KNQAVFIVSA-N 0 0 480.613 4.610 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545754052 1067029998 /nfs/dbraw/zinc/02/99/98/1067029998.db2.gz DPRWNHVMXMJEHE-NRFANRHFSA-N 0 0 496.681 4.999 20 0 JJADRN O=C(c1cc2ncc(Br)cn2n1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458323775 1067030702 /nfs/dbraw/zinc/03/07/02/1067030702.db2.gz NNVLJAUTBSSEMX-UHFFFAOYSA-N 0 0 453.262 4.530 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC001458324121 1067030821 /nfs/dbraw/zinc/03/08/21/1067030821.db2.gz QDMKWFILEXCNNU-AOMKIAJQSA-N 0 0 459.384 4.538 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1CC(F)(F)C1)c1ccccc1 ZINC001545754334 1067030869 /nfs/dbraw/zinc/03/08/69/1067030869.db2.gz KNPJNUADUOJMQQ-HXUWFJFHSA-N 0 0 459.585 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545754350 1067030994 /nfs/dbraw/zinc/03/09/94/1067030994.db2.gz KXDZDSVRWUXMCW-IQFVJIFQSA-N 0 0 497.684 4.986 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545754527 1067031141 /nfs/dbraw/zinc/03/11/41/1067031141.db2.gz PEAACTLSCNKIME-RBBKRZOGSA-N 0 0 483.657 4.571 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)c3ncc(C(F)(F)F)s3)cc2nc1C(F)(F)F ZINC001449836931 1067031292 /nfs/dbraw/zinc/03/12/92/1067031292.db2.gz FHUIPYCLFDXRQA-QMMMGPOBSA-N 0 0 452.380 4.726 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1(SC)CCC1)c1ccccc1 ZINC001545754485 1067031433 /nfs/dbraw/zinc/03/14/33/1067031433.db2.gz OBYROUQHNBIKMD-NRFANRHFSA-N 0 0 484.714 4.736 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC2 ZINC001458327221 1067031792 /nfs/dbraw/zinc/03/17/92/1067031792.db2.gz RNVKYCSAKDNFST-HNAYVOBHSA-N 0 0 453.421 4.828 20 0 JJADRN COC(=O)c1cnc(NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 ZINC001458329301 1067032248 /nfs/dbraw/zinc/03/22/48/1067032248.db2.gz IZQZPOWAUUEICV-IBGZPJMESA-N 0 0 458.436 4.826 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2[nH]c3c(cccc3Cl)c2C)CC1 ZINC001449851864 1067032295 /nfs/dbraw/zinc/03/22/95/1067032295.db2.gz GRMVSXTWFRAZFR-UHFFFAOYSA-N 0 0 452.938 4.798 20 0 JJADRN CC(C)(C)[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccccc1 ZINC001458330070 1067032442 /nfs/dbraw/zinc/03/24/42/1067032442.db2.gz FVXQUBNXBKRWNL-OAQYLSRUSA-N 0 0 455.942 4.597 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCc1csc(C)n1)c1ccccc1 ZINC001545756082 1067032410 /nfs/dbraw/zinc/03/24/10/1067032410.db2.gz AMXNEEGIAHVJLB-LAUBAEHRSA-N 0 0 492.615 4.900 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3c(C)onc3-c3cccc(Cl)c3)C2)c1 ZINC001545755093 1067032539 /nfs/dbraw/zinc/03/25/39/1067032539.db2.gz CLAYRRHMGBKAKW-MRXNPFEDSA-N 0 0 455.942 4.577 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CC(F)(F)F)c1ccccc1 ZINC001545756119 1067032796 /nfs/dbraw/zinc/03/27/96/1067032796.db2.gz AZYQENAOMSUFLM-FQEVSTJZSA-N 0 0 487.574 4.931 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2c(C)c(CC)nc3ccccc32)CC1 ZINC001449856088 1067032913 /nfs/dbraw/zinc/03/29/13/1067032913.db2.gz SBVWEPVJYRXROK-UHFFFAOYSA-N 0 0 458.558 4.774 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 ZINC001449871880 1067033078 /nfs/dbraw/zinc/03/30/78/1067033078.db2.gz ZFVSIRCRMYURFG-UHFFFAOYSA-N 0 0 451.281 4.708 20 0 JJADRN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCC1(c2ccccc2Br)CCCCC1 ZINC001449870173 1067033223 /nfs/dbraw/zinc/03/32/23/1067033223.db2.gz VNUXSVIUOSIEFE-FQEVSTJZSA-N 0 0 457.368 4.557 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)C1)c1ccccc1 ZINC001546017703 1067033376 /nfs/dbraw/zinc/03/33/76/1067033376.db2.gz ZXCZRESOCOEYBG-ILWGZMRPSA-N 0 0 483.657 4.858 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccsc1)c1ccccc1 ZINC001545756293 1067033461 /nfs/dbraw/zinc/03/34/61/1067033461.db2.gz DZZMXBUKLPZLTD-JOCHJYFZSA-N 0 0 467.639 4.844 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CCC(=O)N2C)cc1 ZINC001458335649 1067033889 /nfs/dbraw/zinc/03/38/89/1067033889.db2.gz RATAPDYOZBMRSY-WMZHIEFXSA-N 0 0 457.521 4.512 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3ccccn3)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756519 1067034158 /nfs/dbraw/zinc/03/41/58/1067034158.db2.gz JKLJRHQFXUGUKR-LEWJYISDSA-N 0 0 488.558 4.509 20 0 JJADRN FC(F)(F)c1cc([C@@H]2CN(c3nc(Cl)nc4nc[nH]c43)CCO2)cc(C(F)(F)F)c1 ZINC001458336909 1067034152 /nfs/dbraw/zinc/03/41/52/1067034152.db2.gz LCGSJGSDQYSEAG-NSHDSACASA-N 0 0 451.758 4.622 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCC[C@@H]2C)CCO1 ZINC001546099540 1067034309 /nfs/dbraw/zinc/03/43/09/1067034309.db2.gz HGEFBOQGAZEKRX-GKBBYZSKSA-N 0 0 491.076 4.808 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545756663 1067034492 /nfs/dbraw/zinc/03/44/92/1067034492.db2.gz LOVRMOXDGGGFEW-PMOQBDJRSA-N 0 0 482.698 4.973 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458338408 1067034508 /nfs/dbraw/zinc/03/45/08/1067034508.db2.gz ARKMWYGHLTZADQ-YPMHNXCESA-N 0 0 459.718 4.543 20 0 JJADRN Fc1cc2c(cc1Br)[C@@H](Nc1ncnc(C(F)(F)F)c1Br)CO2 ZINC001458338599 1067034602 /nfs/dbraw/zinc/03/46/02/1067034602.db2.gz QMMAFVXBTHHUCZ-QMMMGPOBSA-N 0 0 457.019 4.705 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756780 1067034669 /nfs/dbraw/zinc/03/46/69/1067034669.db2.gz OAPWAJQANBRODY-ZJSXRUAMSA-N 0 0 494.709 4.679 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 ZINC001449894167 1067034709 /nfs/dbraw/zinc/03/47/09/1067034709.db2.gz APFGTYGFHGYGMC-IEBWSBKVSA-N 0 0 461.603 4.885 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001449892756 1067034759 /nfs/dbraw/zinc/03/47/59/1067034759.db2.gz BCNSHZBMXVAVPB-UHFFFAOYSA-N 0 0 454.636 4.753 20 0 JJADRN CC(C)(C)c1ccc(C2CCN(C(=O)CCNS(=O)(=O)/C=C/c3ccccc3)CC2)cc1 ZINC001449900526 1067035239 /nfs/dbraw/zinc/03/52/39/1067035239.db2.gz NXRNJQKJOVLWAK-CAPFRKAQSA-N 0 0 454.636 4.671 20 0 JJADRN Cc1sc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)nc1C1CCCCC1 ZINC001449901149 1067035732 /nfs/dbraw/zinc/03/57/32/1067035732.db2.gz HRTSUXJDABCEAT-UHFFFAOYSA-N 0 0 459.593 4.823 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3ccc(CN(C)C(=O)OC(C)(C)C)cc3)c2)o1 ZINC001449902700 1067035800 /nfs/dbraw/zinc/03/58/00/1067035800.db2.gz PBGWAXOOHJEOLK-UHFFFAOYSA-N 0 0 452.511 4.502 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3ncccc3F)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545757281 1067035939 /nfs/dbraw/zinc/03/59/39/1067035939.db2.gz WSFJKYVFUPYGBU-NRFANRHFSA-N 0 0 468.646 4.822 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)nnc1-c1cccs1 ZINC001458342246 1067035870 /nfs/dbraw/zinc/03/58/70/1067035870.db2.gz UEMLMOZFVBJTIR-UHFFFAOYSA-N 0 0 452.609 4.868 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)nn1-c1ccc(Cl)cc1Cl ZINC001458342952 1067036278 /nfs/dbraw/zinc/03/62/78/1067036278.db2.gz XCCWKXRITGASOR-HRAATJIYSA-N 0 0 461.324 4.785 20 0 JJADRN COc1ccc(CN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458342668 1067036354 /nfs/dbraw/zinc/03/63/54/1067036354.db2.gz DUQHQMKUXIPWNO-PMVMPFDFSA-N 0 0 459.627 4.977 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCC=C(C)C)c1ccccc1 ZINC001545758161 1067036300 /nfs/dbraw/zinc/03/63/00/1067036300.db2.gz ATDYCOLINIUFNB-SANMLTNESA-N 0 0 492.712 4.701 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccc(-c3ccccc3)nc2C)c1 ZINC001449909389 1067036664 /nfs/dbraw/zinc/03/66/64/1067036664.db2.gz CSFLIXCIUBQFCR-JOCHJYFZSA-N 0 0 455.352 4.634 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449908634 1067036873 /nfs/dbraw/zinc/03/68/73/1067036873.db2.gz DOFRDKOTJNFWLX-QFIPXVFZSA-N 0 0 457.412 4.918 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCCSC)c1ccccc1 ZINC001545758216 1067036724 /nfs/dbraw/zinc/03/67/24/1067036724.db2.gz BZTDVJKBJNTSHF-IBGZPJMESA-N 0 0 455.594 4.648 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)c1ncnc2c1c(Br)nn2C(C)(C)C ZINC001458345497 1067036874 /nfs/dbraw/zinc/03/68/74/1067036874.db2.gz LNOBTLPWFIZTEN-CQSZACIVSA-N 0 0 452.784 4.821 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001458345752 1067037108 /nfs/dbraw/zinc/03/71/08/1067037108.db2.gz KZYGCPXNQKLZNB-JSGCOSHPSA-N 0 0 458.183 4.918 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458346023 1067037317 /nfs/dbraw/zinc/03/73/17/1067037317.db2.gz DIUAKSMPRANHDP-MSOLQXFVSA-N 0 0 456.917 4.535 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC(F)(Cc4ccc(Cl)cc4)CC3)[nH]n2)c(OC)c1 ZINC001449919776 1067037674 /nfs/dbraw/zinc/03/76/74/1067037674.db2.gz WPQBHHBYSNTPRL-UHFFFAOYSA-N 0 0 457.933 4.934 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)NCc2cccnc2-n2cnc3ccccc32)cc1OCC ZINC001449934355 1067037824 /nfs/dbraw/zinc/03/78/24/1067037824.db2.gz DUPUUMIKOCREJI-UHFFFAOYSA-N 0 0 458.562 4.812 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545758554 1067038009 /nfs/dbraw/zinc/03/80/09/1067038009.db2.gz IYYVQUHBMNAFSF-BKSPAHHJSA-N 0 0 461.601 4.555 20 0 JJADRN CC[C@@H](CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC(=O)OC(C)(C)C ZINC001449939478 1067038180 /nfs/dbraw/zinc/03/81/80/1067038180.db2.gz HZBKSRJTKVAXFA-HNNXBMFYSA-N 0 0 457.518 4.791 20 0 JJADRN O=C1[C@@H](Nc2nc3cccc(OC(F)F)c3s2)CCN1c1cccc(Br)c1 ZINC001458348336 1067038246 /nfs/dbraw/zinc/03/82/46/1067038246.db2.gz VHXYRHBKDHMONX-ZDUSSCGKSA-N 0 0 454.296 4.878 20 0 JJADRN COc1cc(C(=O)Nc2cccc3n[nH]nc32)ccc1OCc1ccc(Br)cc1 ZINC001449942202 1067038319 /nfs/dbraw/zinc/03/83/19/1067038319.db2.gz PMDNXVSGQXFJTL-UHFFFAOYSA-N 0 0 453.296 4.560 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@H]1CCCSC1)c1ccccc1 ZINC001545758569 1067039250 /nfs/dbraw/zinc/03/92/50/1067039250.db2.gz JCSMXEAOBSRBDW-VWNXMTODSA-N 0 0 471.715 4.510 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449964616 1067039210 /nfs/dbraw/zinc/03/92/10/1067039210.db2.gz GGEMGORPGWTCSI-GXFFZTMASA-N 0 0 451.741 4.753 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545758746 1067039567 /nfs/dbraw/zinc/03/95/67/1067039567.db2.gz MDRISWZSVWVVHP-NRFANRHFSA-N 0 0 470.712 4.740 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2C1=O ZINC001449970698 1067039653 /nfs/dbraw/zinc/03/96/53/1067039653.db2.gz OONZDTVETOUCEI-LLVKDONJSA-N 0 0 459.333 4.757 20 0 JJADRN O=C(NCc1ccc2[nH]cnc2c1)c1cccnc1SCc1cccc(Br)c1 ZINC001449976727 1067039705 /nfs/dbraw/zinc/03/97/05/1067039705.db2.gz FRXYPSVDEKZCSP-UHFFFAOYSA-N 0 0 453.365 4.943 20 0 JJADRN C[C@@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC001458352546 1067039927 /nfs/dbraw/zinc/03/99/27/1067039927.db2.gz XOXMIEWBXDLTMN-KPZWWZAWSA-N 0 0 457.290 4.647 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC001449988024 1067040067 /nfs/dbraw/zinc/04/00/67/1067040067.db2.gz XTJIRSRTVMTPSF-CHWSQXEVSA-N 0 0 455.971 4.706 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2ccc(Br)cc2)n1 ZINC001458353415 1067040395 /nfs/dbraw/zinc/04/03/95/1067040395.db2.gz BTCGOTUCPXZYQN-GOSISDBHSA-N 0 0 452.274 4.928 20 0 JJADRN CN(C(=O)c1cc2c(ccc(Br)c2F)[nH]1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001450001756 1067040646 /nfs/dbraw/zinc/04/06/46/1067040646.db2.gz PUDPZBDRUZNEOH-UHFFFAOYSA-N 0 0 454.340 4.589 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1)OC ZINC001546018708 1067040873 /nfs/dbraw/zinc/04/08/73/1067040873.db2.gz HKVBLCUZLQFFLN-XUVXKRRUSA-N 0 0 461.676 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(CCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC001458354646 1067040776 /nfs/dbraw/zinc/04/07/76/1067040776.db2.gz IMFROCNKMKYNSL-UHFFFAOYSA-N 0 0 451.287 4.627 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(I)cc1F ZINC001458354137 1067040829 /nfs/dbraw/zinc/04/08/29/1067040829.db2.gz DYBHCHMEZSQCER-HNNXBMFYSA-N 0 0 451.201 4.724 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)CCCOc3ccccc3Cl)cc2C1 ZINC001458357480 1067041268 /nfs/dbraw/zinc/04/12/68/1067041268.db2.gz WGUHNDYVHPKORB-KRWDZBQOSA-N 0 0 459.974 4.915 20 0 JJADRN CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)OC ZINC001545759279 1067041436 /nfs/dbraw/zinc/04/14/36/1067041436.db2.gz VTUMHGSIXDNFMT-SDUSCBPUSA-N 0 0 481.685 4.862 20 0 JJADRN FC(F)(F)c1cc(N2CCOc3c(Br)cccc3C2)nc(-c2cccnc2)n1 ZINC001458357980 1067041714 /nfs/dbraw/zinc/04/17/14/1067041714.db2.gz QAZPUEYGPMFYRQ-UHFFFAOYSA-N 0 0 451.246 4.719 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001450022773 1067042100 /nfs/dbraw/zinc/04/21/00/1067042100.db2.gz DKYFRIQJSSPQGU-QGZVFWFLSA-N 0 0 457.374 4.763 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc2ccc(Br)cc2c(=O)o1 ZINC001458360579 1067042143 /nfs/dbraw/zinc/04/21/43/1067042143.db2.gz WCWGGWKXSOXQES-QGZVFWFLSA-N 0 0 454.242 4.849 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H](CO)C(C)C ZINC001450023215 1067042300 /nfs/dbraw/zinc/04/23/00/1067042300.db2.gz BPUGUARFQHOTCK-XQTRSNPVSA-N 0 0 455.014 4.573 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@H](C)SC)c1ccccc1 ZINC001545759447 1067042658 /nfs/dbraw/zinc/04/26/58/1067042658.db2.gz XZSWSBPCESOKQB-UGKGYDQZSA-N 0 0 455.697 4.955 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450025592 1067042784 /nfs/dbraw/zinc/04/27/84/1067042784.db2.gz HVTWTHOKDWMGAM-MRXNPFEDSA-N 0 0 450.682 4.904 20 0 JJADRN CSc1cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)ccn1 ZINC001458365838 1067042843 /nfs/dbraw/zinc/04/28/43/1067042843.db2.gz SYDFNWULOJFXFO-MOPGFXCFSA-N 0 0 462.015 4.724 20 0 JJADRN Cc1c(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cnn1-c1ccc(F)cc1F ZINC001450028903 1067042987 /nfs/dbraw/zinc/04/29/87/1067042987.db2.gz NGWVRATYRQJETG-UHFFFAOYSA-N 0 0 456.440 4.954 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cccc2c(Br)cccc12)C(F)F ZINC001450032841 1067043068 /nfs/dbraw/zinc/04/30/68/1067043068.db2.gz RQWDFXLMMQEKOM-INIZCTEOSA-N 0 0 457.315 4.881 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(F)F ZINC001450032480 1067043280 /nfs/dbraw/zinc/04/32/80/1067043280.db2.gz QJNOFSNWZNBVCD-IBGZPJMESA-N 0 0 456.493 4.575 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2C1 ZINC001458368129 1067043391 /nfs/dbraw/zinc/04/33/91/1067043391.db2.gz JYJNMWMXCAOCJD-CYBMUJFWSA-N 0 0 453.436 4.874 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001458368536 1067043405 /nfs/dbraw/zinc/04/34/05/1067043405.db2.gz MGWINYBZEPXPPZ-UONOGXRCSA-N 0 0 454.386 4.643 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC001450032949 1067043446 /nfs/dbraw/zinc/04/34/46/1067043446.db2.gz RZRBVCPMYRSJIK-RUMSDORHSA-N 0 0 452.420 4.653 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)OC ZINC001546018971 1067043462 /nfs/dbraw/zinc/04/34/62/1067043462.db2.gz LXAUZGWUFQGSIE-PSHVLCQKSA-N 0 0 477.049 4.933 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545760479 1067043750 /nfs/dbraw/zinc/04/37/50/1067043750.db2.gz DNCBBCGKWFMFEX-IZIIKQMZSA-N 0 0 492.542 4.705 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)C1CCCC1 ZINC001450047878 1067044318 /nfs/dbraw/zinc/04/43/18/1067044318.db2.gz SEQUEYRISCEKLT-UHFFFAOYSA-N 0 0 450.560 4.938 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](C)c1nccs1)c1ccccc1 ZINC001545760982 1067044419 /nfs/dbraw/zinc/04/44/19/1067044419.db2.gz LBKWAHGQPIVQIJ-JQHSSLGASA-N 0 0 465.545 4.848 20 0 JJADRN COc1ccc(OC)c2sc(N(CCNC(=O)OC(C)(C)C)CCc3ccccc3)nc21 ZINC001458371043 1067044446 /nfs/dbraw/zinc/04/44/46/1067044446.db2.gz PRDHLFODPDDPSS-UHFFFAOYSA-N 0 0 457.596 4.887 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3ccc(Cl)c4ncccc34)cc2C1 ZINC001458370825 1067044594 /nfs/dbraw/zinc/04/45/94/1067044594.db2.gz SRPAWHWHVKWMKV-OAHLLOKOSA-N 0 0 452.942 4.918 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@]1(C)CCCS1)c1ccccc1 ZINC001545761200 1067044665 /nfs/dbraw/zinc/04/46/65/1067044665.db2.gz OFRGZCJYORCZED-OPYAIIAOSA-N 0 0 454.562 4.873 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCNC(=O)c1occc1C)c1ccccc1 ZINC001545761413 1067044747 /nfs/dbraw/zinc/04/47/47/1067044747.db2.gz QZRZFKVJGCAMCA-PKTZIBPZSA-N 0 0 493.652 4.793 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001450054568 1067045011 /nfs/dbraw/zinc/04/50/11/1067045011.db2.gz IUQJRZVHOLCQJC-STQMWFEESA-N 0 0 453.555 4.784 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Br)cc3)n2CCc2ccsc2)CCO1 ZINC001546099855 1067044896 /nfs/dbraw/zinc/04/48/96/1067044896.db2.gz NXGNKAJZPPQGGO-QFIPXVFZSA-N 0 0 491.455 4.929 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001450058391 1067045270 /nfs/dbraw/zinc/04/52/70/1067045270.db2.gz SEHMDSUDHFDRGN-LSDHHAIUSA-N 0 0 458.946 4.817 20 0 JJADRN CCCc1c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001450059425 1067045350 /nfs/dbraw/zinc/04/53/50/1067045350.db2.gz UKFPMTYSWKEDSH-IRXDYDNUSA-N 0 0 457.619 4.549 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001450059429 1067045449 /nfs/dbraw/zinc/04/54/49/1067045449.db2.gz UKFPMTYSWKEDSH-SJORKVTESA-N 0 0 457.619 4.549 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001450058389 1067045546 /nfs/dbraw/zinc/04/55/46/1067045546.db2.gz SEHMDSUDHFDRGN-GJZGRUSLSA-N 0 0 458.946 4.817 20 0 JJADRN Cc1cc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)nn1-c1ccccc1Cl ZINC001458376026 1067045726 /nfs/dbraw/zinc/04/57/26/1067045726.db2.gz PIELBKAJURYMNH-UHFFFAOYSA-N 0 0 458.856 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)CC2 ZINC001450059919 1067045861 /nfs/dbraw/zinc/04/58/61/1067045861.db2.gz IAFMRVSEJWDLRD-UHFFFAOYSA-N 0 0 456.505 4.722 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001450060571 1067046107 /nfs/dbraw/zinc/04/61/07/1067046107.db2.gz WRJIQKCETOAKGN-HUUCEWRRSA-N 0 0 457.600 4.772 20 0 JJADRN CC(C)(C(=O)NC[C@H]1COC2(CCCCCC2)O1)c1csc(-c2c(F)cccc2F)n1 ZINC001458377174 1067046125 /nfs/dbraw/zinc/04/61/25/1067046125.db2.gz NMNBEBVUXQHILU-HNNXBMFYSA-N 0 0 450.551 4.948 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(F)(F)F ZINC001458378010 1067046179 /nfs/dbraw/zinc/04/61/79/1067046179.db2.gz ARVUZUBSJMZSER-MRXNPFEDSA-N 0 0 454.942 4.612 20 0 JJADRN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NC[C@H]1COC2(CCCCCC2)O1 ZINC001458377154 1067046194 /nfs/dbraw/zinc/04/61/94/1067046194.db2.gz NLALXVYYUUSOQL-SFHVURJKSA-N 0 0 454.514 4.954 20 0 JJADRN Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nn1-c1ccc(Cl)c(Cl)c1 ZINC001458379106 1067046301 /nfs/dbraw/zinc/04/63/01/1067046301.db2.gz GHNJMMZSNYCFEP-UHFFFAOYSA-N 0 0 458.271 4.830 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC001450065346 1067046223 /nfs/dbraw/zinc/04/62/23/1067046223.db2.gz MIOVTRRHBUFLMS-QFIPXVFZSA-N 0 0 453.539 4.553 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001545762045 1067046380 /nfs/dbraw/zinc/04/63/80/1067046380.db2.gz BLTHUOWTLWHOTI-SECBINFHSA-N 0 0 454.321 4.816 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC(C)(C)C1)Oc1cccc(F)c1 ZINC001546019194 1067046465 /nfs/dbraw/zinc/04/64/65/1067046465.db2.gz PPBJYPAIBNPTQX-VKUXKFIQSA-N 0 0 474.621 4.871 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001450063201 1067046520 /nfs/dbraw/zinc/04/65/20/1067046520.db2.gz KEJXUSMHNQFZNI-KRWDZBQOSA-N 0 0 458.493 4.763 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545763038 1067046521 /nfs/dbraw/zinc/04/65/21/1067046521.db2.gz BJGHQBLGRJCGHB-HMBVCUQOSA-N 0 0 493.098 4.881 20 0 JJADRN CCCC[C@@H](C)N(CCCC)C(=O)c1cnc2ccc(I)cc2c1O ZINC001450070276 1067046825 /nfs/dbraw/zinc/04/68/25/1067046825.db2.gz DFYJACLLYOLGEC-CQSZACIVSA-N 0 0 454.352 4.954 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@](C)(O)c1cccs1)c1ccccc1 ZINC001545763369 1067046943 /nfs/dbraw/zinc/04/69/43/1067046943.db2.gz HNXBRZIADRYKBF-YNJKOYDBSA-N 0 0 454.640 4.795 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Nc3ccc(F)cc3F)CC2=O)cc1 ZINC001458383115 1067047134 /nfs/dbraw/zinc/04/71/34/1067047134.db2.gz FGQZUYUPTWUZHG-KRWDZBQOSA-N 0 0 451.473 4.704 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)C2)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545763251 1067047052 /nfs/dbraw/zinc/04/70/52/1067047052.db2.gz FPSSQVPNSQSGRZ-FXAWDEMLSA-N 0 0 455.628 4.647 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001458387734 1067047714 /nfs/dbraw/zinc/04/77/14/1067047714.db2.gz OSBDGFPVXQNQNZ-QGZVFWFLSA-N 0 0 456.876 4.586 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545764035 1067048555 /nfs/dbraw/zinc/04/85/55/1067048555.db2.gz PNQHBHLSEJKUTB-LUKWVAJMSA-N 0 0 472.699 4.982 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545764037 1067048718 /nfs/dbraw/zinc/04/87/18/1067048718.db2.gz PQFFCRLEYFEXHP-FUPPJEDESA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(Cc1ccco1)Cc1ccco1)NC(=O)OC(C)(C)C ZINC001546019305 1067048565 /nfs/dbraw/zinc/04/85/65/1067048565.db2.gz RKOLUSPYNFPBBY-GHTZIAJQSA-N 0 0 485.585 4.826 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc(C(C)(C)C)c1O ZINC001450098020 1067048865 /nfs/dbraw/zinc/04/88/65/1067048865.db2.gz SMPANGIOGHQSPV-SFHVURJKSA-N 0 0 457.636 4.607 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3cc(C)n(-c4cccc(Cl)c4)n3)c(=O)oc2c1 ZINC001458390559 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AKZFEFQKIIQKOA-UHFFFAOYSA-N 0 0 456.901 4.721 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccccc1Cl ZINC001545765363 1067050074 /nfs/dbraw/zinc/05/00/74/1067050074.db2.gz ZRECDWQUUIDXAY-UHFFFAOYSA-N 0 0 456.033 4.533 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C(C)(C)O1 ZINC001458394405 1067050213 /nfs/dbraw/zinc/05/02/13/1067050213.db2.gz UPKWVIOGFKIJGZ-NRFANRHFSA-N 0 0 455.986 4.858 20 0 JJADRN COc1cc(CCNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)ccc1Cl ZINC001450113248 1067050243 /nfs/dbraw/zinc/05/02/43/1067050243.db2.gz LFQZQQBTIZMEIX-UHFFFAOYSA-N 0 0 450.988 4.676 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001458395662 1067050816 /nfs/dbraw/zinc/05/08/16/1067050816.db2.gz QXIZNZNAGQOEDU-UHFFFAOYSA-N 0 0 459.516 4.612 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCCSCC(C)C)c1ccccc1 ZINC001545765650 1067050943 /nfs/dbraw/zinc/05/09/43/1067050943.db2.gz FNAJEMXMERZVGC-ZLNRFVROSA-N 0 0 469.699 4.562 20 0 JJADRN 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1067071249 /nfs/dbraw/zinc/07/12/49/1067071249.db2.gz WEHRGAXIEJYSES-UHFFFAOYSA-N 0 0 451.386 4.985 20 0 JJADRN COCCOCc1ccc(CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)cc1 ZINC001450344429 1067071893 /nfs/dbraw/zinc/07/18/93/1067071893.db2.gz IDIZAUMBGHUJNG-UHFFFAOYSA-N 0 0 451.748 4.677 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1C(=O)N1CC(C2CCCCC2)C1 ZINC001450346522 1067072415 /nfs/dbraw/zinc/07/24/15/1067072415.db2.gz KULBCPKEHQGHAD-HXUWFJFHSA-N 0 0 451.380 4.622 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)nc2)cc1 ZINC001458478627 1067072269 /nfs/dbraw/zinc/07/22/69/1067072269.db2.gz GTLPQWXKRBAWAZ-NRFANRHFSA-N 0 0 455.436 4.514 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)SC ZINC001545777788 1067072421 /nfs/dbraw/zinc/07/24/21/1067072421.db2.gz MPDLANVSNHLYTQ-UHFFFAOYSA-N 0 0 486.730 4.680 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1)SC ZINC001545777892 1067072541 /nfs/dbraw/zinc/07/25/41/1067072541.db2.gz 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Cn1c(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc2cc(C(F)(F)F)ccc21 ZINC001450356978 1067073175 /nfs/dbraw/zinc/07/31/75/1067073175.db2.gz XBCZQVYKOOXZHT-OAHLLOKOSA-N 0 0 459.237 4.562 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](Cn2cccn2)C1)SC ZINC001545778140 1067073416 /nfs/dbraw/zinc/07/34/16/1067073416.db2.gz YKRBMIXJSJIXDR-SFHVURJKSA-N 0 0 475.062 4.622 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ncc(Br)cc2F)CC[C@H]1C(F)(F)F ZINC001458488456 1067073500 /nfs/dbraw/zinc/07/35/00/1067073500.db2.gz ACYAECBZGQIXHV-CMPLNLGQSA-N 0 0 456.278 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CC(n2cnc3c2ncnc3NCCCCCCc2ccccc2)C1 ZINC001458486608 1067073520 /nfs/dbraw/zinc/07/35/20/1067073520.db2.gz CTTGYJVXSBZZBY-UHFFFAOYSA-N 0 0 450.587 4.833 20 0 JJADRN CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001458488064 1067073559 /nfs/dbraw/zinc/07/35/59/1067073559.db2.gz NJRITKZBFZKOLS-IBGZPJMESA-N 0 0 454.375 4.868 20 0 JJADRN CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001458488049 1067073696 /nfs/dbraw/zinc/07/36/96/1067073696.db2.gz MXULQTPQIQLHSS-FQEVSTJZSA-N 0 0 451.947 4.744 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)SC ZINC001545779056 1067073725 /nfs/dbraw/zinc/07/37/25/1067073725.db2.gz AUJSJJCQCIPZCP-OAQYLSRUSA-N 0 0 453.660 4.917 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)SC ZINC001545779055 1067073813 /nfs/dbraw/zinc/07/38/13/1067073813.db2.gz AUJSJJCQCIPZCP-NRFANRHFSA-N 0 0 453.660 4.917 20 0 JJADRN CN(C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001450375260 1067074183 /nfs/dbraw/zinc/07/41/83/1067074183.db2.gz MRIPVWJWXIGRCL-LJQANCHMSA-N 0 0 452.440 4.824 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001450378824 1067074218 /nfs/dbraw/zinc/07/42/18/1067074218.db2.gz HQTYUTCLWRFNOS-INIZCTEOSA-N 0 0 454.246 4.541 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545779270 1067074216 /nfs/dbraw/zinc/07/42/16/1067074216.db2.gz JATFTYDZCJRZKG-FQEVSTJZSA-N 0 0 484.601 4.528 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(C)c2)CCO1 ZINC001546101380 1067074263 /nfs/dbraw/zinc/07/42/63/1067074263.db2.gz CBERFHFAATZWRG-XLGIIRLISA-N 0 0 456.631 4.589 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(C)c2)CCO1 ZINC001546101379 1067074277 /nfs/dbraw/zinc/07/42/77/1067074277.db2.gz CBERFHFAATZWRG-DRLORSAXSA-N 0 0 456.631 4.589 20 0 JJADRN CC(C)c1cc(Br)ccc1NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC001458494260 1067074302 /nfs/dbraw/zinc/07/43/02/1067074302.db2.gz BGBOAKCRFWAYEQ-INIZCTEOSA-N 0 0 455.393 4.927 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC001450380858 1067074448 /nfs/dbraw/zinc/07/44/48/1067074448.db2.gz MOHJWBMOXKUHCE-UHFFFAOYSA-N 0 0 452.356 4.791 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545779671 1067074949 /nfs/dbraw/zinc/07/49/49/1067074949.db2.gz WTASYYWRUJTLNU-HXUWFJFHSA-N 0 0 486.661 4.610 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545779668 1067075113 /nfs/dbraw/zinc/07/51/13/1067075113.db2.gz WPJVIHPZRPQJPA-HXUWFJFHSA-N 0 0 456.635 4.906 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)n2)c1 ZINC001450394687 1067075295 /nfs/dbraw/zinc/07/52/95/1067075295.db2.gz BENZSMMCANBQMT-HFZDXXHNSA-N 0 0 467.566 4.884 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1)SC ZINC001545779763 1067075530 /nfs/dbraw/zinc/07/55/30/1067075530.db2.gz ZWXLYSUODAKBPK-UHFFFAOYSA-N 0 0 468.671 4.786 20 0 JJADRN C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC001458498373 1067075388 /nfs/dbraw/zinc/07/53/88/1067075388.db2.gz IUYQPCDBUJVJMH-KBXCAEBGSA-N 0 0 452.473 4.913 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccccn1 ZINC001458499455 1067075473 /nfs/dbraw/zinc/07/54/73/1067075473.db2.gz KANRKAQHSXHWAF-AREMUKBSSA-N 0 0 459.571 4.882 20 0 JJADRN O=C(N[C@@H]1CN(c2ccc(-c3ccc(Cl)s3)nn2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001458498811 1067075505 /nfs/dbraw/zinc/07/55/05/1067075505.db2.gz RZNRDWCIJLTKDR-GDBMZVCRSA-N 0 0 466.916 4.900 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1)CC1CC1 ZINC001450391030 1067075398 /nfs/dbraw/zinc/07/53/98/1067075398.db2.gz ZHDKXFMVCGOFQC-UHFFFAOYSA-N 0 0 456.505 4.938 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001450391093 1067075431 /nfs/dbraw/zinc/07/54/31/1067075431.db2.gz ZNFRXQXJLPYWPF-UHFFFAOYSA-N 0 0 455.640 4.613 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2cc(I)ccc2N2CCCCC2)CC12CCC2 ZINC001450392115 1067075550 /nfs/dbraw/zinc/07/55/50/1067075550.db2.gz FHTHPASHEOVTBH-IBGZPJMESA-N 0 0 452.380 4.932 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545780690 1067075849 /nfs/dbraw/zinc/07/58/49/1067075849.db2.gz DWQPYOFXGRVLFR-GOSISDBHSA-N 0 0 474.675 4.674 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)c1 ZINC001458499900 1067075979 /nfs/dbraw/zinc/07/59/79/1067075979.db2.gz HTTQKHZUPQMWGT-CQSZACIVSA-N 0 0 459.395 4.619 20 0 JJADRN Cc1cc(C(F)(F)F)nc(N2CCc3cc(Br)c(Br)cc3C2)n1 ZINC001458502265 1067076141 /nfs/dbraw/zinc/07/61/41/1067076141.db2.gz IYVWPTOVZJRMFP-UHFFFAOYSA-N 0 0 451.084 4.892 20 0 JJADRN CCn1c2ccccc2nc(NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)c1=O ZINC001458501222 1067076310 /nfs/dbraw/zinc/07/63/10/1067076310.db2.gz VOYBQSMSPGYUBF-UHFFFAOYSA-N 0 0 459.546 4.667 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(OC)c1)SC ZINC001545780764 1067076256 /nfs/dbraw/zinc/07/62/56/1067076256.db2.gz HFBCXLJPULBUJN-UHFFFAOYSA-N 0 0 471.627 4.573 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001546022509 1067076464 /nfs/dbraw/zinc/07/64/64/1067076464.db2.gz GXAKYULOVRONSH-UWJYYQICSA-N 0 0 473.021 4.698 20 0 JJADRN CCOC(=O)c1nc(N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc(C(C)(C)C)n1 ZINC001458502756 1067076578 /nfs/dbraw/zinc/07/65/78/1067076578.db2.gz BFZUAOMXBSRWEF-UHFFFAOYSA-N 0 0 455.603 4.841 20 0 JJADRN CC(C)[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001450403997 1067076681 /nfs/dbraw/zinc/07/66/81/1067076681.db2.gz HZQVVPUQKYITSQ-OVQGTLEDSA-N 0 0 456.549 4.518 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001546022524 1067076736 /nfs/dbraw/zinc/07/67/36/1067076736.db2.gz HGLVLWDWFWTXBM-UHFFFAOYSA-N 0 0 477.447 4.798 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC=C(C)C1)OC ZINC001545780890 1067076802 /nfs/dbraw/zinc/07/68/02/1067076802.db2.gz MFWYVGCJVQUHDV-UHFFFAOYSA-N 0 0 464.614 4.598 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2Cl)CC1)OC ZINC001545780961 1067076829 /nfs/dbraw/zinc/07/68/29/1067076829.db2.gz OQXZRLGFUXMUSE-UHFFFAOYSA-N 0 0 469.033 4.834 20 0 JJADRN Cc1cc(NC(=O)C2(Cc3ccccc3)CCOCC2)nn1CCCOc1ccc(F)cc1 ZINC001458504978 1067077038 /nfs/dbraw/zinc/07/70/38/1067077038.db2.gz IDPMPOCXVMLICW-UHFFFAOYSA-N 0 0 451.542 4.778 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@@H](C)C1)OC ZINC001545781175 1067077066 /nfs/dbraw/zinc/07/70/66/1067077066.db2.gz VNBQNMGYIUMWCD-OALUTQOASA-N 0 0 466.630 4.533 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)SC ZINC001545781220 1067077100 /nfs/dbraw/zinc/07/71/00/1067077100.db2.gz WUWSJRPUCOVDKU-BVZFJXPGSA-N 0 0 486.686 4.674 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001450405264 1067077119 /nfs/dbraw/zinc/07/71/19/1067077119.db2.gz FNCYDQYIMFHKQQ-NPKYYYDESA-N 0 0 458.599 4.745 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001450405221 1067077133 /nfs/dbraw/zinc/07/71/33/1067077133.db2.gz DZHIGPFYJASATA-UNMCSNQZSA-N 0 0 458.599 4.686 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001458505288 1067077217 /nfs/dbraw/zinc/07/72/17/1067077217.db2.gz WIWDVNBUHCRHKN-UONOGXRCSA-N 0 0 459.395 4.617 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC001545781282 1067077379 /nfs/dbraw/zinc/07/73/79/1067077379.db2.gz ZHNFNMHXKYAVBO-UHFFFAOYSA-N 0 0 497.619 4.637 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1)SC ZINC001545782386 1067077832 /nfs/dbraw/zinc/07/78/32/1067077832.db2.gz MIYIGHXCUDHPLD-OALUTQOASA-N 0 0 487.670 4.510 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1)SC ZINC001545782388 1067077862 /nfs/dbraw/zinc/07/78/62/1067077862.db2.gz MIYIGHXCUDHPLD-RTBURBONSA-N 0 0 487.670 4.510 20 0 JJADRN Cc1cc(NC(=O)c2cc(F)cc3nc(C)c(C)nc32)nn1CCCOc1ccc(F)cc1 ZINC001458506383 1067077926 /nfs/dbraw/zinc/07/79/26/1067077926.db2.gz OQOPXZXHGHZBJX-UHFFFAOYSA-N 0 0 451.477 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC001450408168 1067077866 /nfs/dbraw/zinc/07/78/66/1067077866.db2.gz JVPGCWUDYSYKHW-SFTDATJTSA-N 0 0 452.551 4.762 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1)SC ZINC001545782387 1067077877 /nfs/dbraw/zinc/07/78/77/1067077877.db2.gz MIYIGHXCUDHPLD-RBUKOAKNSA-N 0 0 487.670 4.510 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001545782195 1067078081 /nfs/dbraw/zinc/07/80/81/1067078081.db2.gz HBXFRXNMRVBLRF-PZJWPPBQSA-N 0 0 498.672 4.819 20 0 JJADRN O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450410519 1067078164 /nfs/dbraw/zinc/07/81/64/1067078164.db2.gz KZCFUEQQSXJISS-BDYUSTAISA-N 0 0 451.513 4.929 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(OC(C)C)CC1)SC ZINC001545782785 1067078326 /nfs/dbraw/zinc/07/83/26/1067078326.db2.gz WAKKRKZEZHPSJO-UHFFFAOYSA-N 0 0 484.670 4.910 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)NC(=O)OC(C)(C)C ZINC001545782561 1067078424 /nfs/dbraw/zinc/07/84/24/1067078424.db2.gz PYDOYGBQTKRURG-FQEVSTJZSA-N 0 0 471.650 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001450415003 1067078678 /nfs/dbraw/zinc/07/86/78/1067078678.db2.gz QYIUQHPPIXVKDJ-BHDDXSALSA-N 0 0 452.599 4.570 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001546101581 1067078806 /nfs/dbraw/zinc/07/88/06/1067078806.db2.gz GNFHAIAGWHXJJL-RUZDIDTESA-N 0 0 489.686 4.751 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CCO1 ZINC001546101561 1067078865 /nfs/dbraw/zinc/07/88/65/1067078865.db2.gz GHAWFQBFDFDHNT-JOCHJYFZSA-N 0 0 462.381 4.613 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1)SC ZINC001545783757 1067078757 /nfs/dbraw/zinc/07/87/57/1067078757.db2.gz BMVQAKYJRJYVKP-FQEVSTJZSA-N 0 0 458.672 4.974 20 0 JJADRN O=C(Nc1ccc(CNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)cc1)c1ccc(F)cc1 ZINC001545783451 1067078812 /nfs/dbraw/zinc/07/88/12/1067078812.db2.gz RRBRKDOCZHKAHO-UHFFFAOYSA-N 0 0 452.913 4.645 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001450417724 1067078855 /nfs/dbraw/zinc/07/88/55/1067078855.db2.gz UFMHJYNFHZOHGV-JTHBVZDNSA-N 0 0 452.378 4.788 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3sc(-c4c(C)noc4C)nc3C)CC2)cc1 ZINC001450417587 1067079069 /nfs/dbraw/zinc/07/90/69/1067079069.db2.gz TXOLIFBJYCIFEL-NRFANRHFSA-N 0 0 455.580 4.708 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001546101591 1067078938 /nfs/dbraw/zinc/07/89/38/1067078938.db2.gz GQOPSQFTTATUOF-RPWUZVMVSA-N 0 0 488.679 4.554 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1)OC ZINC001545783909 1067079010 /nfs/dbraw/zinc/07/90/10/1067079010.db2.gz GLDYSIDNMJCBGH-NHCUHLMSSA-N 0 0 493.693 4.603 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1)OC ZINC001545783824 1067079082 /nfs/dbraw/zinc/07/90/82/1067079082.db2.gz DAKBQIOOSSWZGK-VAMGGRTRSA-N 0 0 463.667 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450416296 1067079189 /nfs/dbraw/zinc/07/91/89/1067079189.db2.gz TXUIEMCHZMUIHM-DSLXNQLJSA-N 0 0 468.516 4.639 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1)SC ZINC001545783832 1067079349 /nfs/dbraw/zinc/07/93/49/1067079349.db2.gz DMZIIQHRTRCISP-IBGZPJMESA-N 0 0 491.677 4.568 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450420279 1067079583 /nfs/dbraw/zinc/07/95/83/1067079583.db2.gz XUKKULDMVJKJAR-SANMLTNESA-N 0 0 452.982 4.783 20 0 JJADRN Cc1c(Br)cccc1COC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001458518192 1067079662 /nfs/dbraw/zinc/07/96/62/1067079662.db2.gz KKPWVVCFSXCJPX-UHFFFAOYSA-N 0 0 451.382 4.978 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545783935 1067079526 /nfs/dbraw/zinc/07/95/26/1067079526.db2.gz GVXGZTGKSVQSDO-IBGZPJMESA-N 0 0 463.667 4.834 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1)OC ZINC001545784184 1067079975 /nfs/dbraw/zinc/07/99/75/1067079975.db2.gz MSKLUGCCKCVELJ-LJQANCHMSA-N 0 0 475.634 4.827 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSCC(C)C)CCO1 ZINC001546101618 1067080014 /nfs/dbraw/zinc/08/00/14/1067080014.db2.gz HCOFWUNWBKICOA-YADARESESA-N 0 0 481.707 4.745 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC001458522435 1067080029 /nfs/dbraw/zinc/08/00/29/1067080029.db2.gz WODNUUPJUJOUFC-UHFFFAOYSA-N 0 0 450.524 4.989 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C/c2ccccc2)CCO1 ZINC001546101675 1067080325 /nfs/dbraw/zinc/08/03/25/1067080325.db2.gz ITMGMXAEOMMDTP-SGCUVVHESA-N 0 0 481.641 4.768 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001546022725 1067080326 /nfs/dbraw/zinc/08/03/26/1067080326.db2.gz LQHOMYOZRXKZCF-IFMALSPDSA-N 0 0 496.656 4.737 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1)SC ZINC001545784399 1067080439 /nfs/dbraw/zinc/08/04/39/1067080439.db2.gz RYGURJVKMCXEIR-FGZHOGPDSA-N 0 0 458.672 4.889 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)SC ZINC001545784387 1067080544 /nfs/dbraw/zinc/08/05/44/1067080544.db2.gz RSYBRMKAADYDIW-QGZVFWFLSA-N 0 0 451.681 4.913 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545784476 1067080678 /nfs/dbraw/zinc/08/06/78/1067080678.db2.gz UDDLWSUPPJPOEU-IBGZPJMESA-N 0 0 463.667 4.882 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545784477 1067080842 /nfs/dbraw/zinc/08/08/42/1067080842.db2.gz UDDLWSUPPJPOEU-LJQANCHMSA-N 0 0 463.667 4.882 20 0 JJADRN COCCOCc1cc(C(=O)Oc2ccc(Br)cc2C(F)(F)F)ccc1F ZINC001458524599 1067080772 /nfs/dbraw/zinc/08/07/72/1067080772.db2.gz CAWHIKXMQXSVRR-UHFFFAOYSA-N 0 0 451.210 4.989 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC001450439575 1067080859 /nfs/dbraw/zinc/08/08/59/1067080859.db2.gz ALFRHOZFOPHVCT-VWLOTQADSA-N 0 0 457.530 4.737 20 0 JJADRN Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC001450442743 1067080936 /nfs/dbraw/zinc/08/09/36/1067080936.db2.gz FZGOYISGPVTDCV-LBPRGKRZSA-N 0 0 455.418 4.764 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)NC1CCC(F)(F)CC1 ZINC001458525178 1067080924 /nfs/dbraw/zinc/08/09/24/1067080924.db2.gz IANGNONIQMQWKZ-UHFFFAOYSA-N 0 0 452.914 4.967 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)OC ZINC001545784667 1067081560 /nfs/dbraw/zinc/08/15/60/1067081560.db2.gz YAVCLLARWBVUKA-PCCBWWKXSA-N 0 0 491.677 4.561 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCOC(F)F)CCO1 ZINC001546101713 1067081562 /nfs/dbraw/zinc/08/15/62/1067081562.db2.gz JPTOSFUPICSNED-FQEVSTJZSA-N 0 0 460.978 4.858 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C ZINC001545785803 1067081745 /nfs/dbraw/zinc/08/17/45/1067081745.db2.gz COKZYUAOKODSMZ-GOSISDBHSA-N 0 0 493.599 4.780 20 0 JJADRN CCCCNc1nc(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cs1 ZINC001545785173 1067081757 /nfs/dbraw/zinc/08/17/57/1067081757.db2.gz NCDMMLSJOWNQIX-UHFFFAOYSA-N 0 0 452.665 4.974 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C)CCOCC2)CCO1 ZINC001546101741 1067081965 /nfs/dbraw/zinc/08/19/65/1067081965.db2.gz KDXDAWNVIXQAGM-HSZRJFAPSA-N 0 0 483.440 4.986 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1)OC ZINC001545785926 1067082043 /nfs/dbraw/zinc/08/20/43/1067082043.db2.gz FTMCOQXLQBAMAO-FQEVSTJZSA-N 0 0 479.666 4.562 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001546023021 1067082092 /nfs/dbraw/zinc/08/20/92/1067082092.db2.gz TWXUSKWINVAVOB-UHFFFAOYSA-N 0 0 492.384 4.766 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458530360 1067082370 /nfs/dbraw/zinc/08/23/70/1067082370.db2.gz YBFAWCZFSLQJJU-UHFFFAOYSA-N 0 0 459.546 4.894 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001546023072 1067082492 /nfs/dbraw/zinc/08/24/92/1067082492.db2.gz VIQSOCLZMVIQAZ-QGZVFWFLSA-N 0 0 459.388 4.846 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1F)OC ZINC001545786576 1067082496 /nfs/dbraw/zinc/08/24/96/1067082496.db2.gz RXYVLJFIYZZFEB-HXUWFJFHSA-N 0 0 495.647 4.994 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)SC ZINC001545786609 1067082508 /nfs/dbraw/zinc/08/25/08/1067082508.db2.gz SQNPEUQYCQKDAV-OALUTQOASA-N 0 0 481.707 4.540 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545786660 1067082877 /nfs/dbraw/zinc/08/28/77/1067082877.db2.gz UEXVCIYJMRIXQA-LJQANCHMSA-N 0 0 493.693 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2C1 ZINC001450466310 1067082817 /nfs/dbraw/zinc/08/28/17/1067082817.db2.gz FGIQCERWDXODGJ-UHFFFAOYSA-N 0 0 455.536 4.688 20 0 JJADRN Cc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccccn2)c1 ZINC001458533219 1067083244 /nfs/dbraw/zinc/08/32/44/1067083244.db2.gz NYFXLUKTGPNMHU-UZUQRXQVSA-N 0 0 454.357 4.956 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1)SC ZINC001545788137 1067083707 /nfs/dbraw/zinc/08/37/07/1067083707.db2.gz KILDRRCYZIFVBB-UHFFFAOYSA-N 0 0 479.698 4.524 20 0 JJADRN C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([S@](C)=O)cc1 ZINC001458536115 1067083988 /nfs/dbraw/zinc/08/39/88/1067083988.db2.gz HFOSBCHSHQSEAC-IGHLBYLOSA-N 0 0 450.645 4.713 20 0 JJADRN O=C(CCOc1ccccc1Cl)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450477868 1067083967 /nfs/dbraw/zinc/08/39/67/1067083967.db2.gz UBAIBCWMPIEDDW-IFMALSPDSA-N 0 0 456.970 4.662 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1)SC ZINC001545788233 1067084069 /nfs/dbraw/zinc/08/40/69/1067084069.db2.gz NODIQAVEKUGRDL-HXUWFJFHSA-N 0 0 478.106 4.797 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)cc1 ZINC001458537738 1067084403 /nfs/dbraw/zinc/08/44/03/1067084403.db2.gz MFHSVEVDOYEVTK-AREMUKBSSA-N 0 0 455.558 4.709 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 ZINC001546023257 1067084529 /nfs/dbraw/zinc/08/45/29/1067084529.db2.gz ZZCJUYUGHFGSPM-OAHLLOKOSA-N 0 0 467.383 4.597 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc([S@](C)=O)cc1 ZINC001458538979 1067084873 /nfs/dbraw/zinc/08/48/73/1067084873.db2.gz YGQWHSNQMCXHDE-JGVYIQDASA-N 0 0 458.630 4.707 20 0 JJADRN Cc1c(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)nnn1CCOc1ccc(F)cc1 ZINC001458540877 1067084886 /nfs/dbraw/zinc/08/48/86/1067084886.db2.gz MQJZNLQAHPXYFB-UHFFFAOYSA-N 0 0 458.484 4.672 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)OC ZINC001545788488 1067085037 /nfs/dbraw/zinc/08/50/37/1067085037.db2.gz WWOPJHXGQYUQLI-QGZVFWFLSA-N 0 0 487.998 4.800 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545789272 1067085383 /nfs/dbraw/zinc/08/53/83/1067085383.db2.gz AVSUWVVWIHEPIC-SFTDATJTSA-N 0 0 483.657 4.950 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1)SC ZINC001545789483 1067085640 /nfs/dbraw/zinc/08/56/40/1067085640.db2.gz JCKDLPLYHTVQFA-HXUWFJFHSA-N 0 0 468.671 4.527 20 0 JJADRN O=C(NCCO[C@H]1CCCCO1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001450524815 1067086114 /nfs/dbraw/zinc/08/61/14/1067086114.db2.gz UVCOOIMBHUNXCO-SFHVURJKSA-N 0 0 455.736 4.563 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001545789796 1067086518 /nfs/dbraw/zinc/08/65/18/1067086518.db2.gz UCMMSEUDVDNMCH-OAQYLSRUSA-N 0 0 470.662 4.972 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(c2cc(-c3ccccc3)nc3ncnn32)C1 ZINC001458550126 1067086519 /nfs/dbraw/zinc/08/65/19/1067086519.db2.gz PFDGEQBERININY-VWLOTQADSA-N 0 0 450.587 4.559 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1cc(Br)ccc1F)c1ccccc1 ZINC001450530829 1067086502 /nfs/dbraw/zinc/08/65/02/1067086502.db2.gz DFGQAVCEFNISAY-OAQYLSRUSA-N 0 0 451.336 4.645 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1)SC ZINC001545789811 1067086621 /nfs/dbraw/zinc/08/66/21/1067086621.db2.gz UTQXRGCTKHLBDP-NRFANRHFSA-N 0 0 472.699 4.931 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545789679 1067086655 /nfs/dbraw/zinc/08/66/55/1067086655.db2.gz PDYCDDNSMGSZDO-WOJBJXKFSA-N 0 0 470.662 4.830 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545789678 1067086674 /nfs/dbraw/zinc/08/66/74/1067086674.db2.gz PDYCDDNSMGSZDO-VQTJNVASSA-N 0 0 470.662 4.830 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCc1cc(Br)ccc1F ZINC001450531888 1067086602 /nfs/dbraw/zinc/08/66/02/1067086602.db2.gz IKBLXGPQTOCODJ-UHFFFAOYSA-N 0 0 451.336 4.585 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450530029 1067086619 /nfs/dbraw/zinc/08/66/19/1067086619.db2.gz SJNOPUHHZGEANQ-CYBMUJFWSA-N 0 0 455.755 4.885 20 0 JJADRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001545790213 1067087000 /nfs/dbraw/zinc/08/70/00/1067087000.db2.gz GSAAXRPTPUXWAD-GOSISDBHSA-N 0 0 456.608 4.992 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)OC ZINC001545789894 1067087046 /nfs/dbraw/zinc/08/70/46/1067087046.db2.gz XLWXRMUTALEMQG-DEOSSOPVSA-N 0 0 462.642 4.574 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545789954 1067087162 /nfs/dbraw/zinc/08/71/62/1067087162.db2.gz ZKUWLKOEIJFNEW-WOJBJXKFSA-N 0 0 470.662 4.972 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCCCC2=O)cc1 ZINC001450535289 1067086993 /nfs/dbraw/zinc/08/69/93/1067086993.db2.gz AFLUVKQFJNBZHQ-WZONZLPQSA-N 0 0 451.567 4.647 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1cc(Br)ccc1F ZINC001450533109 1067087011 /nfs/dbraw/zinc/08/70/11/1067087011.db2.gz MMUUEEZGXGYXHZ-UHFFFAOYSA-N 0 0 454.649 4.774 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545789951 1067087202 /nfs/dbraw/zinc/08/72/02/1067087202.db2.gz ZKUWLKOEIJFNEW-PMACEKPBSA-N 0 0 470.662 4.972 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)[nH]n2)cc1OC ZINC001450537811 1067087398 /nfs/dbraw/zinc/08/73/98/1067087398.db2.gz XXMHHGUIMHBYDS-JCNLHEQBSA-N 0 0 456.340 4.532 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3ccc4cccc(Br)c4n3)n[nH]2)cc1 ZINC001545790554 1067087486 /nfs/dbraw/zinc/08/74/86/1067087486.db2.gz QHLBJFSLGLQFJD-UHFFFAOYSA-N 0 0 454.353 4.822 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)OC ZINC001545790928 1067087515 /nfs/dbraw/zinc/08/75/15/1067087515.db2.gz BIIZZAWJKILMCG-UHFFFAOYSA-N 0 0 467.561 4.893 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1)SC ZINC001545790960 1067087529 /nfs/dbraw/zinc/08/75/29/1067087529.db2.gz CMWSQNDHBIFNHJ-UHFFFAOYSA-N 0 0 496.725 4.967 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2CCOCC2)CCO1 ZINC001546102094 1067087520 /nfs/dbraw/zinc/08/75/20/1067087520.db2.gz QSIMCKRIBVICAL-QHCPKHFHSA-N 0 0 483.440 4.986 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)SC ZINC001545791035 1067087768 /nfs/dbraw/zinc/08/77/68/1067087768.db2.gz FMHRTVMGGJSMNO-UHFFFAOYSA-N 0 0 469.699 4.893 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)OC ZINC001545791040 1067087803 /nfs/dbraw/zinc/08/78/03/1067087803.db2.gz FRGIOEFVVIFVBO-UHFFFAOYSA-N 0 0 484.666 4.758 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccsc2)CC1)SC ZINC001545791099 1067088038 /nfs/dbraw/zinc/08/80/38/1067088038.db2.gz HOSYWPAGYLTAJV-UHFFFAOYSA-N 0 0 490.768 4.939 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001458564515 1067088064 /nfs/dbraw/zinc/08/80/64/1067088064.db2.gz SBSZKKRQCFBSKX-KWQFWETISA-N 0 0 454.230 4.932 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1O ZINC001450539672 1067088153 /nfs/dbraw/zinc/08/81/53/1067088153.db2.gz WKJVTGHJFYQWSB-INIZCTEOSA-N 0 0 454.523 4.827 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1)SC ZINC001545791153 1067088203 /nfs/dbraw/zinc/08/82/03/1067088203.db2.gz IZJKXBLXESGRHG-SFHVURJKSA-N 0 0 490.699 4.937 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)OC ZINC001545791171 1067088457 /nfs/dbraw/zinc/08/84/57/1067088457.db2.gz JNHPQNLNLDFEHN-UHFFFAOYSA-N 0 0 495.712 4.743 20 0 JJADRN C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(N2CCCCC2=O)cc1 ZINC001450541409 1067088299 /nfs/dbraw/zinc/08/82/99/1067088299.db2.gz OCYMSCRMZRRYJE-VLIAUNLRSA-N 0 0 457.983 4.537 20 0 JJADRN C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(N2CCCCC2=O)cc1 ZINC001450541407 1067088523 /nfs/dbraw/zinc/08/85/23/1067088523.db2.gz OCYMSCRMZRRYJE-VBKZILBWSA-N 0 0 457.983 4.537 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H](C)c1ccccc1 ZINC001458567690 1067088474 /nfs/dbraw/zinc/08/84/74/1067088474.db2.gz IIQUBSJZXLFZMO-QGZVFWFLSA-N 0 0 451.544 4.953 20 0 JJADRN CCOC(=O)CN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)[C@@H](C)c1ccccc1 ZINC001458567347 1067088528 /nfs/dbraw/zinc/08/85/28/1067088528.db2.gz FYHLVNBFJAQNHV-KRWDZBQOSA-N 0 0 456.539 4.936 20 0 JJADRN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1scc(Br)c1Br ZINC001450542356 1067088671 /nfs/dbraw/zinc/08/86/71/1067088671.db2.gz MNMSJXQQNAZQAD-NSHDSACASA-N 0 0 453.583 4.780 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)c2ccccc2)CC1)OC ZINC001545791318 1067088715 /nfs/dbraw/zinc/08/87/15/1067088715.db2.gz OBFRSNHAYCXHAD-UHFFFAOYSA-N 0 0 482.698 4.944 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2Cl)CC1)OC ZINC001545791345 1067088727 /nfs/dbraw/zinc/08/87/27/1067088727.db2.gz PBKQHVRZGYXXRP-UHFFFAOYSA-N 0 0 489.089 4.819 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791353 1067089025 /nfs/dbraw/zinc/08/90/25/1067089025.db2.gz PHZMXKOTWWSNHD-INIZCTEOSA-N 0 0 462.664 4.564 20 0 JJADRN CC(C)(C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001450544624 1067089089 /nfs/dbraw/zinc/08/90/89/1067089089.db2.gz PQCNPPBJJYWNDP-ZEZDXWPOSA-N 0 0 459.586 4.608 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001450543246 1067089104 /nfs/dbraw/zinc/08/91/04/1067089104.db2.gz GGBDBRYCCFPHQH-CQSZACIVSA-N 0 0 455.386 4.992 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC001450548661 1067089563 /nfs/dbraw/zinc/08/95/63/1067089563.db2.gz OWVLYZSAECTKMY-IBGZPJMESA-N 0 0 450.583 4.903 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)OC ZINC001545791564 1067089740 /nfs/dbraw/zinc/08/97/40/1067089740.db2.gz XOWRHPMWMSFPHN-UHFFFAOYSA-N 0 0 477.694 4.957 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450549892 1067090243 /nfs/dbraw/zinc/09/02/43/1067090243.db2.gz KATZTTRSEKOQOW-MAUKXSAKSA-N 0 0 457.398 4.629 20 0 JJADRN CSc1ncc(I)c(N[C@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC001458574468 1067090045 /nfs/dbraw/zinc/09/00/45/1067090045.db2.gz PJVFCFBPNICTEP-MRVPVSSYSA-N 0 0 455.243 4.875 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1)C1CCCC1 ZINC001458574192 1067090061 /nfs/dbraw/zinc/09/00/61/1067090061.db2.gz OPMRIAWCHGRCHV-HNAYVOBHSA-N 0 0 451.011 4.524 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545792698 1067090764 /nfs/dbraw/zinc/09/07/64/1067090764.db2.gz JDXBGKXHERGRAP-UHFFFAOYSA-N 0 0 475.682 4.706 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cc2ccccc2)C1)SC ZINC001545792758 1067090854 /nfs/dbraw/zinc/09/08/54/1067090854.db2.gz LPIJEZRFOVZCHH-QHCPKHFHSA-N 0 0 482.698 4.509 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccc(OC)cc2)CC1)SC ZINC001545792684 1067090898 /nfs/dbraw/zinc/09/08/98/1067090898.db2.gz ISFXTNKEHFWWIK-UHFFFAOYSA-N 0 0 485.698 4.715 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)Nc3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)cn1 ZINC001450553694 1067091009 /nfs/dbraw/zinc/09/10/09/1067091009.db2.gz XTMJNJQOTNVOAI-UHFFFAOYSA-N 0 0 458.419 4.628 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1C(C)C ZINC001458587263 1067091248 /nfs/dbraw/zinc/09/12/48/1067091248.db2.gz NMBWMOKLYOSTSE-FQEVSTJZSA-N 0 0 454.933 4.632 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC001458588838 1067091271 /nfs/dbraw/zinc/09/12/71/1067091271.db2.gz CTRWLDSWMSRHRV-CQSZACIVSA-N 0 0 452.780 4.947 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCC[C@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC001458589308 1067091284 /nfs/dbraw/zinc/09/12/84/1067091284.db2.gz DMDVRXDVCKAXHO-GMSGAONNSA-N 0 0 454.152 4.617 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)c1c(F)cccc1F ZINC001458588238 1067091335 /nfs/dbraw/zinc/09/13/35/1067091335.db2.gz BIUBWKALTZKFME-OXQOHEQNSA-N 0 0 450.913 4.503 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)SC ZINC001545792811 1067091247 /nfs/dbraw/zinc/09/12/47/1067091247.db2.gz NBMOTEGUCGXGQO-IBGZPJMESA-N 0 0 490.743 4.780 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1)SC ZINC001545792846 1067091257 /nfs/dbraw/zinc/09/12/57/1067091257.db2.gz OGOZAFDRURJQRK-OAQYLSRUSA-N 0 0 455.672 4.625 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)ccc1Br ZINC001450558942 1067091256 /nfs/dbraw/zinc/09/12/56/1067091256.db2.gz RIYPLODFJLLFIL-GOSISDBHSA-N 0 0 458.318 4.817 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)Cc2ccccc2O1 ZINC001450562592 1067091434 /nfs/dbraw/zinc/09/14/34/1067091434.db2.gz VRSIROSMAXRBDT-INIZCTEOSA-N 0 0 456.951 4.564 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)SC ZINC001545793070 1067091834 /nfs/dbraw/zinc/09/18/34/1067091834.db2.gz VFAVBYIUILZBIS-SQJMNOBHSA-N 0 0 488.698 4.780 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCc2sccc2C1 ZINC001546024324 1067092036 /nfs/dbraw/zinc/09/20/36/1067092036.db2.gz AOAXCYOQKZQZGN-UHFFFAOYSA-N 0 0 491.455 4.892 20 0 JJADRN O=C(CCCNC(=O)OCc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001458596364 1067092225 /nfs/dbraw/zinc/09/22/25/1067092225.db2.gz ARHUMGWDBAGRNF-HSZRJFAPSA-N 0 0 451.954 4.842 20 0 JJADRN OC1(C[C@H]2CCCCN2c2ncnc3cc(I)sc32)CCCCC1 ZINC001458598383 1067092276 /nfs/dbraw/zinc/09/22/76/1067092276.db2.gz SUDAXGCPGPBNGQ-CYBMUJFWSA-N 0 0 457.381 4.740 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001546024346 1067092300 /nfs/dbraw/zinc/09/23/00/1067092300.db2.gz BHZWGNFCHQVRIN-UHFFFAOYSA-N 0 0 497.640 4.984 20 0 JJADRN CON(Cc1ccccc1Cl)C(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001450588191 1067092311 /nfs/dbraw/zinc/09/23/11/1067092311.db2.gz IOTSCOWUTDSZLA-OAQYLSRUSA-N 0 0 457.958 4.847 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nccs2)CCO1 ZINC001546102288 1067092920 /nfs/dbraw/zinc/09/29/20/1067092920.db2.gz VLPFKCSXWJLAMB-QFIPXVFZSA-N 0 0 462.019 4.605 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)OCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001458602592 1067092958 /nfs/dbraw/zinc/09/29/58/1067092958.db2.gz KPUHLLPXCTTWCN-UHFFFAOYSA-N 0 0 456.232 4.572 20 0 JJADRN CON(Cc1ccccc1Cl)C(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C ZINC001450595459 1067093001 /nfs/dbraw/zinc/09/30/01/1067093001.db2.gz SMDDMWZIENFOQE-UHFFFAOYSA-N 0 0 458.967 4.961 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545794731 1067093180 /nfs/dbraw/zinc/09/31/80/1067093180.db2.gz NAMCRFFSPQSPTD-GJZUVCINSA-N 0 0 456.631 4.865 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)nnn1-c1ccc(F)c(Cl)c1 ZINC001458605607 1067093258 /nfs/dbraw/zinc/09/32/58/1067093258.db2.gz IISRKNYLVVXTJJ-UHFFFAOYSA-N 0 0 458.280 4.833 20 0 JJADRN CC(=O)c1cccc(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1O ZINC001450595745 1067093345 /nfs/dbraw/zinc/09/33/45/1067093345.db2.gz HUSVJDYHFNUBSF-ZDUSSCGKSA-N 0 0 451.304 4.797 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3ccc(Br)cc3C(F)(F)F)C2)c1 ZINC001458608670 1067093639 /nfs/dbraw/zinc/09/36/39/1067093639.db2.gz HCPCJRQWHBGSJF-SFHVURJKSA-N 0 0 455.274 4.894 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H](COC)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545794827 1067093664 /nfs/dbraw/zinc/09/36/64/1067093664.db2.gz PIXYMAMIUUNEPZ-GOSISDBHSA-N 0 0 451.656 4.522 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3ccc(Br)cc3C(F)(F)F)C2)c1 ZINC001458608665 1067093762 /nfs/dbraw/zinc/09/37/62/1067093762.db2.gz HCPCJRQWHBGSJF-GOSISDBHSA-N 0 0 455.274 4.894 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458606900 1067093778 /nfs/dbraw/zinc/09/37/78/1067093778.db2.gz MIBFYHDPZDXBEN-AUUYWEPGSA-N 0 0 459.461 4.692 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C1)SC ZINC001545794855 1067094005 /nfs/dbraw/zinc/09/40/05/1067094005.db2.gz QANPZFWKNDIMHT-OKZBNKHCSA-N 0 0 451.681 4.817 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458609030 1067094040 /nfs/dbraw/zinc/09/40/40/1067094040.db2.gz QBRWPVXKQHETHZ-UHFFFAOYSA-N 0 0 455.139 4.931 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CSc4ccccc43)c2)C1 ZINC001458608950 1067094283 /nfs/dbraw/zinc/09/42/83/1067094283.db2.gz OWWXCEBZFJHGHP-QRVBRYPASA-N 0 0 458.649 4.742 20 0 JJADRN CCC(CC)(Cn1c(N2CCCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1)SC ZINC001545794886 1067094144 /nfs/dbraw/zinc/09/41/44/1067094144.db2.gz QUFVOPMLDUBMEA-UHFFFAOYSA-N 0 0 469.699 4.729 20 0 JJADRN C[C@@H](CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CCc2ccccc21 ZINC001450601760 1067094272 /nfs/dbraw/zinc/09/42/72/1067094272.db2.gz WKDKTNAMPCKAHV-NZQKXSOJSA-N 0 0 451.611 4.990 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(Br)cc2Br)cc2[nH]ccc21 ZINC001450607177 1067094672 /nfs/dbraw/zinc/09/46/72/1067094672.db2.gz GULMLYMLNUQETB-UHFFFAOYSA-N 0 0 452.102 4.732 20 0 JJADRN CCC(CC)(Cn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545795059 1067094653 /nfs/dbraw/zinc/09/46/53/1067094653.db2.gz VZHGFWZOMKQBDJ-CIXCFARBSA-N 0 0 470.658 4.906 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)cc1 ZINC001450605314 1067094772 /nfs/dbraw/zinc/09/47/72/1067094772.db2.gz KQXWHQPRNUKVLN-XSEFMFLKSA-N 0 0 457.412 4.591 20 0 JJADRN Cn1nc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1-c1ccc(F)cc1 ZINC001458611651 1067094812 /nfs/dbraw/zinc/09/48/12/1067094812.db2.gz RWCDOIRRVSCJHC-UHFFFAOYSA-N 0 0 456.237 4.938 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C)OC ZINC001545795095 1067094965 /nfs/dbraw/zinc/09/49/65/1067094965.db2.gz XIKKLYRUAAHIDV-QGZVFWFLSA-N 0 0 451.011 4.719 20 0 JJADRN O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450608939 1067095099 /nfs/dbraw/zinc/09/50/99/1067095099.db2.gz NUPSMZMDOBJPCE-VGOFRKELSA-N 0 0 450.348 4.719 20 0 JJADRN CC(=O)c1cccc(NC(=O)CCCCCc2ccc(I)cc2)c1O ZINC001450608501 1067095191 /nfs/dbraw/zinc/09/51/91/1067095191.db2.gz MVLSPSYPQIAXRM-UHFFFAOYSA-N 0 0 451.304 4.941 20 0 JJADRN COc1ccccc1C[C@@H](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450608605 1067095216 /nfs/dbraw/zinc/09/52/16/1067095216.db2.gz MJQCJLLNYMCHCN-IIBYNOLFSA-N 0 0 457.920 4.912 20 0 JJADRN C[C@H](OC(=O)CSC(=S)N1CCC(C)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458613210 1067095629 /nfs/dbraw/zinc/09/56/29/1067095629.db2.gz ICSGBXRRHDESHQ-ZDUSSCGKSA-N 0 0 459.559 4.946 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2C)C1)OC ZINC001545796396 1067095972 /nfs/dbraw/zinc/09/59/72/1067095972.db2.gz DSSOOUMDCQYVDP-FUDKSRODSA-N 0 0 456.631 4.510 20 0 JJADRN Cc1c(C(=O)Nc2cccc(Cl)c2OCC(F)F)cc(CNC(=O)OC(C)(C)C)n1C ZINC001450611611 1067095977 /nfs/dbraw/zinc/09/59/77/1067095977.db2.gz RZACHLSPVOSEEM-UHFFFAOYSA-N 0 0 457.905 4.908 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC1(c2ccccc2Cl)CC1)Nc1ccccc1F ZINC001458615602 1067095995 /nfs/dbraw/zinc/09/59/95/1067095995.db2.gz QUEDTBHMKIBECE-UHFFFAOYSA-N 0 0 452.913 4.958 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1)SC ZINC001545796586 1067096260 /nfs/dbraw/zinc/09/62/60/1067096260.db2.gz JHRAVNFXOGCSIA-YOEHRIQHSA-N 0 0 463.475 4.823 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(c2ccccc2)CC1)OC ZINC001545796562 1067096332 /nfs/dbraw/zinc/09/63/32/1067096332.db2.gz IXLINTTZLABNJQ-DHIUTWEWSA-N 0 0 484.685 4.890 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C)OC ZINC001545796429 1067096417 /nfs/dbraw/zinc/09/64/17/1067096417.db2.gz FRRSHYYSRLAAJN-QRVBRYPASA-N 0 0 481.707 4.886 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001546024548 1067096694 /nfs/dbraw/zinc/09/66/94/1067096694.db2.gz IWLBXHYHBJLUMX-MRXNPFEDSA-N 0 0 489.414 4.854 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1)OC ZINC001545796661 1067096759 /nfs/dbraw/zinc/09/67/59/1067096759.db2.gz LMLRJZCVIPRLLV-PKTZIBPZSA-N 0 0 471.621 4.836 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545796771 1067096788 /nfs/dbraw/zinc/09/67/88/1067096788.db2.gz OTVHKTQNDWBCQI-VQTJNVASSA-N 0 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CON(Cc1ccc(Cl)cc1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001450626966 1067097202 /nfs/dbraw/zinc/09/72/02/1067097202.db2.gz NYTCCPOJBLROPI-UHFFFAOYSA-N 0 0 456.123 4.801 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458621782 1067097292 /nfs/dbraw/zinc/09/72/92/1067097292.db2.gz JLOGSDLACCKGKA-UHFFFAOYSA-N 0 0 456.373 4.724 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc(OC)c1Br ZINC001450628151 1067097291 /nfs/dbraw/zinc/09/72/91/1067097291.db2.gz WEGUGMYGMIQLHX-FCHUYYIVSA-N 0 0 456.336 4.671 20 0 JJADRN CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458623468 1067097625 /nfs/dbraw/zinc/09/76/25/1067097625.db2.gz NICJDFOCGLCEFS-QWHCGFSZSA-N 0 0 455.399 4.585 20 0 JJADRN CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458623461 1067097759 /nfs/dbraw/zinc/09/77/59/1067097759.db2.gz NICJDFOCGLCEFS-CHWSQXEVSA-N 0 0 455.399 4.585 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1)OC ZINC001545797968 1067097895 /nfs/dbraw/zinc/09/78/95/1067097895.db2.gz CQSHYLAUULPJSA-OAQYLSRUSA-N 0 0 494.055 4.998 20 0 JJADRN C[C@H]1Cn2nc(C(=O)Nc3ccc(Cl)cc3OC(F)F)cc2CN1C(=O)OC(C)(C)C ZINC001458626040 1067098100 /nfs/dbraw/zinc/09/81/00/1067098100.db2.gz NUXHCCPEZJGSDT-NSHDSACASA-N 0 0 456.877 4.529 20 0 JJADRN C[C@@H](NC(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c2ccccc21 ZINC001450644579 1067098423 /nfs/dbraw/zinc/09/84/23/1067098423.db2.gz GXMSKWUKMJBJTC-CPJLOUKISA-N 0 0 455.530 4.702 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1)OC ZINC001545798130 1067098838 /nfs/dbraw/zinc/09/88/38/1067098838.db2.gz GJKPEKAYALUPJU-ZEQRLZLVSA-N 0 0 467.589 4.898 20 0 JJADRN O=S(=O)(c1cc(F)ccc1N1CCC[C@@H]1c1cncc(Br)c1)C(F)(F)F ZINC001458628893 1067098889 /nfs/dbraw/zinc/09/88/89/1067098889.db2.gz GYUKCCHFWDTVDO-CYBMUJFWSA-N 0 0 453.255 4.618 20 0 JJADRN CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(Br)c1 ZINC001458630631 1067099074 /nfs/dbraw/zinc/09/90/74/1067099074.db2.gz ZCXVXOUESUAXFN-LJQANCHMSA-N 0 0 454.386 4.786 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)OC3)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001450648847 1067098990 /nfs/dbraw/zinc/09/89/90/1067098990.db2.gz UCWVIFDJTYMLAC-UHFFFAOYSA-N 0 0 457.269 4.874 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1)OC ZINC001545798375 1067099502 /nfs/dbraw/zinc/09/95/02/1067099502.db2.gz JYZFDHIKNABOLV-DEOSSOPVSA-N 0 0 477.657 4.520 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N(C)c2ccccc2)CCO1 ZINC001546102528 1067100043 /nfs/dbraw/zinc/10/00/43/1067100043.db2.gz ZRBKNKXDHQUYIS-POHGFMBCSA-N 0 0 469.674 4.727 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798422 1067099847 /nfs/dbraw/zinc/09/98/47/1067099847.db2.gz KVZHOKRTGPFWDS-NHCUHLMSSA-N 0 0 473.662 4.819 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001545798389 1067099913 /nfs/dbraw/zinc/09/99/13/1067099913.db2.gz KFVXOWDOMFVPHB-VXKWHMMOSA-N 0 0 497.105 4.843 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@H]1C)OC ZINC001545798460 1067100718 /nfs/dbraw/zinc/10/07/18/1067100718.db2.gz LIORSALQWQSBRK-WIYYLYMNSA-N 0 0 487.714 4.784 20 0 JJADRN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1NC(=O)c1ccco1 ZINC001458649176 1067100765 /nfs/dbraw/zinc/10/07/65/1067100765.db2.gz UYYUCXWRMGBWFS-UHFFFAOYSA-N 0 0 451.498 4.859 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C1 ZINC001458648462 1067100777 /nfs/dbraw/zinc/10/07/77/1067100777.db2.gz FLDLDJBFZUEBLV-NVXWUHKLSA-N 0 0 459.949 4.955 20 0 JJADRN Clc1cc(Br)cc(Cl)c1CNc1ncc(I)cn1 ZINC001458651972 1067100792 /nfs/dbraw/zinc/10/07/92/1067100792.db2.gz USMUUDAWPGOYTL-UHFFFAOYSA-N 0 0 458.912 4.763 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2ccccc2F)C1)OC ZINC001545798627 1067101247 /nfs/dbraw/zinc/10/12/47/1067101247.db2.gz OIJVWOHRNVOWNN-ATIYNZHBSA-N 0 0 470.589 4.925 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC(CCCO)CC1)c1cccc(Cl)c1Cl ZINC001546102564 1067101236 /nfs/dbraw/zinc/10/12/36/1067101236.db2.gz ASJRFAUYKPISGT-IBGZPJMESA-N 0 0 459.414 4.913 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)cc1Oc1ccncc1 ZINC001458657251 1067101325 /nfs/dbraw/zinc/10/13/25/1067101325.db2.gz VJUJLJREPPDBNY-UHFFFAOYSA-N 0 0 454.486 4.847 20 0 JJADRN Cc1cc(Cl)c2ccccc2c1NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001458657434 1067101990 /nfs/dbraw/zinc/10/19/90/1067101990.db2.gz KSQMOXKFSQVZMY-UHFFFAOYSA-N 0 0 455.967 4.601 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)OC ZINC001545798950 1067103013 /nfs/dbraw/zinc/10/30/13/1067103013.db2.gz ULXOYEJKLNBHKN-OAHLLOKOSA-N 0 0 466.346 4.876 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC001458662161 1067103074 /nfs/dbraw/zinc/10/30/74/1067103074.db2.gz BZQTZRSWHCNJBG-KRWDZBQOSA-N 0 0 458.562 4.855 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450689286 1067103313 /nfs/dbraw/zinc/10/33/13/1067103313.db2.gz ICVNDNKAPHUPEM-PCCBWWKXSA-N 0 0 479.662 4.566 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)F)CC1)OC ZINC001545799057 1067103827 /nfs/dbraw/zinc/10/38/27/1067103827.db2.gz WEBYSYVDLYJONA-NRFANRHFSA-N 0 0 467.580 4.779 20 0 JJADRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1cnn(-c2ccccn2)c1N ZINC001450690423 1067104056 /nfs/dbraw/zinc/10/40/56/1067104056.db2.gz MELFLZAWLJZEGO-MRXNPFEDSA-N 0 0 451.983 4.838 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545799113 1067104294 /nfs/dbraw/zinc/10/42/94/1067104294.db2.gz WYQYWHTWPDBCPW-FGZHOGPDSA-N 0 0 471.646 4.890 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001545799148 1067104333 /nfs/dbraw/zinc/10/43/33/1067104333.db2.gz 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NYGHRBRCRBOIGM-DEOSSOPVSA-N 0 0 469.580 4.946 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(C)cccc2C1)OC ZINC001545803486 1067113468 /nfs/dbraw/zinc/11/34/68/1067113468.db2.gz OQHCQOMTFBCDJZ-RUZDIDTESA-N 0 0 464.658 4.852 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NC(c3ccccc3C)c3ccccc3C)C2=O)c1 ZINC001458713146 1067113548 /nfs/dbraw/zinc/11/35/48/1067113548.db2.gz NKCPEBIJDQKIPH-DEOSSOPVSA-N 0 0 455.558 4.723 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC(C)(CC(C)C)CC1 ZINC001450740434 1067113683 /nfs/dbraw/zinc/11/36/83/1067113683.db2.gz JNXIIQMRLQXTKG-UHFFFAOYSA-N 0 0 450.645 4.548 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)NC(c3ccccc3C)c3ccccc3C)CC2=O)c(OC)c1 ZINC001458714604 1067114278 /nfs/dbraw/zinc/11/42/78/1067114278.db2.gz OMTYKONQWJPWKH-HXUWFJFHSA-N 0 0 458.558 4.579 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N[C@@H](c3ccn(C)n3)c3ccc(Cl)cc3)on2)c1 ZINC001458715205 1067114298 /nfs/dbraw/zinc/11/42/98/1067114298.db2.gz QWLFOTFBSLQXBO-OAQYLSRUSA-N 0 0 457.317 4.910 20 0 JJADRN CCC(CC)[C@@H](CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545803952 1067114792 /nfs/dbraw/zinc/11/47/92/1067114792.db2.gz XQCOWJFSGDMNGP-RBUKOAKNSA-N 0 0 451.656 4.520 20 0 JJADRN COC(=O)c1nc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)sc1C(C)C ZINC001450745213 1067114808 /nfs/dbraw/zinc/11/48/08/1067114808.db2.gz URBXLMOJOKWVCZ-AWEZNQCLSA-N 0 0 459.568 4.921 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 ZINC001450746019 1067115013 /nfs/dbraw/zinc/11/50/13/1067115013.db2.gz IKYUAIALOABZSQ-HSZRJFAPSA-N 0 0 457.530 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccc(C(=O)Nc3ccccc3)nn2)C1 ZINC001458717324 1067114936 /nfs/dbraw/zinc/11/49/36/1067114936.db2.gz VBUHQCZZMKAMKN-RBBKRZOGSA-N 0 0 459.550 4.544 20 0 JJADRN C[C@@H](CC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)n1cc(Br)cn1 ZINC001458719454 1067115525 /nfs/dbraw/zinc/11/55/25/1067115525.db2.gz HJEODKVESGVTBH-GOEBONIOSA-N 0 0 459.413 4.642 20 0 JJADRN 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/nfs/dbraw/zinc/13/73/35/1067137335.db2.gz SSPWLVIHDGZWFN-QHCPKHFHSA-N 0 0 451.592 4.551 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001546027592 1067137367 /nfs/dbraw/zinc/13/73/67/1067137367.db2.gz FFOQWFUMBFVTKE-JOCHJYFZSA-N 0 0 474.646 4.543 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001546027593 1067137417 /nfs/dbraw/zinc/13/74/17/1067137417.db2.gz FFOQWFUMBFVTKE-QFIPXVFZSA-N 0 0 474.646 4.543 20 0 JJADRN CCCCCn1c2nnc(SCCCN(C)C(=O)OC(C)(C)C)n2c2ccccc2c1=O ZINC001458771151 1067137827 /nfs/dbraw/zinc/13/78/27/1067137827.db2.gz PLLFOPUDZPBEJD-UHFFFAOYSA-N 0 0 459.616 4.584 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(COC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001458770766 1067137848 /nfs/dbraw/zinc/13/78/48/1067137848.db2.gz XANVBUALDKOPPE-UHFFFAOYSA-N 0 0 459.347 4.709 20 0 JJADRN COc1ccc(-c2nnc(SCc3cccc(CN4CCOCC4)c3)n2CC(C)C)cc1 ZINC001458771571 1067137895 /nfs/dbraw/zinc/13/78/95/1067137895.db2.gz QMHBHTVNNMCWCN-UHFFFAOYSA-N 0 0 452.624 4.734 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)nn1-c1ccccc1F ZINC001450988241 1067137978 /nfs/dbraw/zinc/13/79/78/1067137978.db2.gz HNQDPEKDLWVOGC-GOSISDBHSA-N 0 0 458.335 4.665 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CSC ZINC001546027976 1067138609 /nfs/dbraw/zinc/13/86/09/1067138609.db2.gz RVTOOXONPKMQDD-HNNXBMFYSA-N 0 0 471.440 4.730 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001546027972 1067138675 /nfs/dbraw/zinc/13/86/75/1067138675.db2.gz RQBUDQUEEKTNOH-QFIPXVFZSA-N 0 0 476.687 4.870 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@@H]2COc3cc(F)ccc3C2)c1 ZINC001458772252 1067139053 /nfs/dbraw/zinc/13/90/53/1067139053.db2.gz GMIROACZYWFCRX-AWEZNQCLSA-N 0 0 450.304 4.733 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CSC ZINC001546027977 1067139072 /nfs/dbraw/zinc/13/90/72/1067139072.db2.gz RVTOOXONPKMQDD-OAHLLOKOSA-N 0 0 471.440 4.730 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545810918 1067139515 /nfs/dbraw/zinc/13/95/15/1067139515.db2.gz HJYHFCJCOHXLNU-IBGZPJMESA-N 0 0 450.445 4.706 20 0 JJADRN COc1ccccc1-n1c(SCCOC(=O)Cc2ccccc2)nnc1-c1cccs1 ZINC001458775116 1067140148 /nfs/dbraw/zinc/14/01/48/1067140148.db2.gz ZPMBHSQIPBMPQB-UHFFFAOYSA-N 0 0 451.573 4.882 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1Cc1ccccc1 ZINC001451025048 1067140045 /nfs/dbraw/zinc/14/00/45/1067140045.db2.gz BPHIRAYZHQUDIG-IBGZPJMESA-N 0 0 456.355 4.760 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc3cccnc32)nnc1N(C)C[C@H](C)c1nccs1 ZINC001546027762 1067140782 /nfs/dbraw/zinc/14/07/82/1067140782.db2.gz KLXKXHONXQGXDW-KRWDZBQOSA-N 0 0 450.612 4.741 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(Br)cnn2C)c(C)c1 ZINC001458776201 1067141077 /nfs/dbraw/zinc/14/10/77/1067141077.db2.gz GWKWFGFFJJDXNM-UHFFFAOYSA-N 0 0 455.381 4.791 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001451031884 1067141318 /nfs/dbraw/zinc/14/13/18/1067141318.db2.gz CPBIIRUHDVBHLG-JKSUJKDBSA-N 0 0 456.921 4.818 20 0 JJADRN COC(=O)c1sc(NC(=O)COc2ccc(Oc3ccccn3)cc2)nc1C1CCCC1 ZINC001458778039 1067142309 /nfs/dbraw/zinc/14/23/09/1067142309.db2.gz ZXNCUUDLTLTBKE-UHFFFAOYSA-N 0 0 453.520 4.792 20 0 JJADRN O=C(c1cc2cc(Br)ccc2s1)N1CCOc2ncc(Br)cc21 ZINC001458779283 1067142323 /nfs/dbraw/zinc/14/23/23/1067142323.db2.gz DZKSJEVRJHEEGE-UHFFFAOYSA-N 0 0 454.143 4.861 20 0 JJADRN COc1ccc(C(=O)NCCC2=CCCCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001458778739 1067142342 /nfs/dbraw/zinc/14/23/42/1067142342.db2.gz NJWKZYUUVJPGIM-UHFFFAOYSA-N 0 0 456.608 4.526 20 0 JJADRN CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(C)C(C)C)nnc2-c2ccc(OC)cc2)cc1 ZINC001458778848 1067142400 /nfs/dbraw/zinc/14/24/00/1067142400.db2.gz XQVUDGDUMVPQTK-KRWDZBQOSA-N 0 0 454.596 4.689 20 0 JJADRN CC[C@](O)(CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001451045115 1067142577 /nfs/dbraw/zinc/14/25/77/1067142577.db2.gz FIIXEIRDIDYPKC-OBTVHEKISA-N 0 0 470.585 4.723 20 0 JJADRN Cc1ccc(-n2c(SCC(=O)NCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1C ZINC001458779476 1067142956 /nfs/dbraw/zinc/14/29/56/1067142956.db2.gz GSVYWCMIFQPKTM-UHFFFAOYSA-N 0 0 456.571 4.642 20 0 JJADRN Cn1ncc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1C(F)(F)F ZINC001451048672 1067143200 /nfs/dbraw/zinc/14/32/00/1067143200.db2.gz PJOWHMKGWYKISO-UHFFFAOYSA-N 0 0 452.477 4.806 20 0 JJADRN C[C@H](CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CNC(=O)OC(C)(C)C ZINC001546028192 1067143227 /nfs/dbraw/zinc/14/32/27/1067143227.db2.gz AILFSHGLAUXQOJ-CYBMUJFWSA-N 0 0 457.518 4.648 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)[nH]c2c1C(=O)CCC2 ZINC001451049983 1067143953 /nfs/dbraw/zinc/14/39/53/1067143953.db2.gz SASYWVLKUHWFQY-AZUAARDMSA-N 0 0 469.557 4.504 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546103590 1067144114 /nfs/dbraw/zinc/14/41/14/1067144114.db2.gz PDGDWCJFFRGVQI-UHFFFAOYSA-N 0 0 480.657 4.566 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(C)cc3Br)CC2=O)cc1 ZINC001458780762 1067144235 /nfs/dbraw/zinc/14/42/35/1067144235.db2.gz KBTNZWHAUHRGFM-CYBMUJFWSA-N 0 0 451.748 4.801 20 0 JJADRN CC(=O)[C@@H](Cc1c(F)cccc1F)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC001458782724 1067144657 /nfs/dbraw/zinc/14/46/57/1067144657.db2.gz ZFMASJBOKJGTSL-JOCHJYFZSA-N 0 0 450.514 4.959 20 0 JJADRN Cc1ccccc1-c1nnc(SCC(=O)N=c2sccn2Cc2ccccc2Cl)o1 ZINC001458782527 1067144716 /nfs/dbraw/zinc/14/47/16/1067144716.db2.gz QCTSFWXOJOSXFE-UHFFFAOYSA-N 0 0 456.980 4.829 20 0 JJADRN COc1nccc2c(NC(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cccc21 ZINC001451071617 1067144791 /nfs/dbraw/zinc/14/47/91/1067144791.db2.gz YTZRQWALIPPQJO-HSZRJFAPSA-N 0 0 456.502 4.774 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC001458784372 1067145069 /nfs/dbraw/zinc/14/50/69/1067145069.db2.gz WJVBSLYMJRJTIY-UHFFFAOYSA-N 0 0 459.340 4.886 20 0 JJADRN COC(=O)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 ZINC001458783931 1067145278 /nfs/dbraw/zinc/14/52/78/1067145278.db2.gz YBXVZZDIGYUCJO-UHFFFAOYSA-N 0 0 458.539 4.764 20 0 JJADRN C[C@H](CNC(=O)c1csc(I)c1Br)c1ccccc1 ZINC001458784634 1067145863 /nfs/dbraw/zinc/14/58/63/1067145863.db2.gz XBSTTZIUYGPRAZ-SECBINFHSA-N 0 0 450.139 4.649 20 0 JJADRN COc1cc(C(=O)NCc2cc(Cl)cc3c2OCC3)cc(OC)c1OCc1ccccc1 ZINC001458785660 1067145835 /nfs/dbraw/zinc/14/58/35/1067145835.db2.gz RGKQYDTUCODPRK-UHFFFAOYSA-N 0 0 453.922 4.801 20 0 JJADRN CC1(C)[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)[C@@H]1c1ccccc1 ZINC001451104080 1067146169 /nfs/dbraw/zinc/14/61/69/1067146169.db2.gz MUOMLRNKSQGJAN-REWPJTCUSA-N 0 0 452.551 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC001451107814 1067146648 /nfs/dbraw/zinc/14/66/48/1067146648.db2.gz BMKJPJACIRNCRD-HKBOAZHASA-N 0 0 457.640 4.577 20 0 JJADRN COCCCn1c(S[C@@H]2CCCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O ZINC001458786911 1067147259 /nfs/dbraw/zinc/14/72/59/1067147259.db2.gz WODHFYNSJVTCCA-JOCHJYFZSA-N 0 0 452.576 4.779 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001546103740 1067147281 /nfs/dbraw/zinc/14/72/81/1067147281.db2.gz VDIFHLMIPLGUHT-UHFFFAOYSA-N 0 0 490.656 4.662 20 0 JJADRN Cc1ccccc1-n1c2nnc(SCCCC(=O)OC(C)(C)C)n2c2ccccc2c1=O ZINC001458787854 1067147360 /nfs/dbraw/zinc/14/73/60/1067147360.db2.gz XSKHYNFRERIQPH-UHFFFAOYSA-N 0 0 450.564 4.556 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)[C@@]12CCCO2 ZINC001458788450 1067147817 /nfs/dbraw/zinc/14/78/17/1067147817.db2.gz ZIRFRGSEYXKDOR-QRICJDHISA-N 0 0 450.362 4.956 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001546103812 1067148003 /nfs/dbraw/zinc/14/80/03/1067148003.db2.gz XQAQHWFLYZUUBG-VQTJNVASSA-N 0 0 476.065 4.809 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451129683 1067148100 /nfs/dbraw/zinc/14/81/00/1067148100.db2.gz HJQBFVJZKVZSQV-SOUVJXGZSA-N 0 0 455.368 4.662 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451129675 1067148152 /nfs/dbraw/zinc/14/81/52/1067148152.db2.gz HJQBFVJZKVZSQV-RRFJBIMHSA-N 0 0 455.368 4.662 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC001458791171 1067148748 /nfs/dbraw/zinc/14/87/48/1067148748.db2.gz WARDBZMBDPRHOW-WOJBJXKFSA-N 0 0 454.636 4.681 20 0 JJADRN C/C(=C\C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1OC(F)F ZINC001451143246 1067149898 /nfs/dbraw/zinc/14/98/98/1067149898.db2.gz QMHYODRDQOFYOG-KSHBPYNCSA-N 0 0 450.526 4.843 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1OC1CCCC1 ZINC001451147806 1067149953 /nfs/dbraw/zinc/14/99/53/1067149953.db2.gz VJZOBPOEGVJYSG-VAMGGRTRSA-N 0 0 458.599 4.782 20 0 JJADRN CCCCCn1c(S[C@H](C)C(=O)CC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC001458796233 1067149983 /nfs/dbraw/zinc/14/99/83/1067149983.db2.gz NAPRBUJIMBVYEF-CQSZACIVSA-N 0 0 450.626 4.530 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)CCCc3cccnc3)ccc2C)c1 ZINC001451151654 1067150453 /nfs/dbraw/zinc/15/04/53/1067150453.db2.gz QQNGBCMHLWQIQU-HXUWFJFHSA-N 0 0 451.592 4.640 20 0 JJADRN Clc1ccc(-n2c(SCCOC[C@H]3CCCO3)nnc2-c2cccnc2)cc1Cl ZINC001458801996 1067150630 /nfs/dbraw/zinc/15/06/30/1067150630.db2.gz VAHXUCMXSYOCQA-MRXNPFEDSA-N 0 0 451.379 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)CCOc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001451150777 1067150688 /nfs/dbraw/zinc/15/06/88/1067150688.db2.gz YRHVLQWCKJFXRX-UXLLHSPISA-N 0 0 457.398 4.914 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1F ZINC001458807365 1067151221 /nfs/dbraw/zinc/15/12/21/1067151221.db2.gz GLYBATHNUXLUGS-OAQYLSRUSA-N 0 0 452.979 4.781 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001451165455 1067151198 /nfs/dbraw/zinc/15/11/98/1067151198.db2.gz AMFRLXXSZFMDRL-VDLPQLTJSA-N 0 0 456.627 4.976 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)c1 ZINC001546028722 1067151309 /nfs/dbraw/zinc/15/13/09/1067151309.db2.gz MAACPGIOKLHCCF-BVZFJXPGSA-N 0 0 459.521 4.929 20 0 JJADRN O=C(c1cc2ncc(Br)cn2n1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001458811163 1067151782 /nfs/dbraw/zinc/15/17/82/1067151782.db2.gz MXQDVFYMBFGMPP-UHFFFAOYSA-N 0 0 452.139 4.728 20 0 JJADRN O=C([C@H](NCC(F)(F)F)c1cc(Br)cs1)N1Cc2ccc(Cl)cc2C1 ZINC001451166470 1067151991 /nfs/dbraw/zinc/15/19/91/1067151991.db2.gz MBWJBALVDKLGQF-CQSZACIVSA-N 0 0 453.711 4.899 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451174728 1067152079 /nfs/dbraw/zinc/15/20/79/1067152079.db2.gz GVYSFWDUWBVUDC-SFHVURJKSA-N 0 0 456.505 4.533 20 0 JJADRN O=C(COc1cccc(I)c1)NC1CCC(c2ccc(F)cc2)CC1 ZINC001458814316 1067153138 /nfs/dbraw/zinc/15/31/38/1067153138.db2.gz TYDRPABNVXQZAJ-UHFFFAOYSA-N 0 0 453.295 4.652 20 0 JJADRN COc1cccc([C@H](OC(=O)Cc2noc3ccc(Br)cc23)c2ccncc2)c1 ZINC001458813231 1067153181 /nfs/dbraw/zinc/15/31/81/1067153181.db2.gz QIDFLHRNJCGTHV-JOCHJYFZSA-N 0 0 453.292 4.869 20 0 JJADRN CCc1onc(-c2ccccc2)c1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC001458814362 1067153280 /nfs/dbraw/zinc/15/32/80/1067153280.db2.gz ONTVJEXNQXEHCM-UHFFFAOYSA-N 0 0 453.340 4.595 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc12 ZINC001458817050 1067153659 /nfs/dbraw/zinc/15/36/59/1067153659.db2.gz UIIYNFNAKMTCPA-UIAACRFSSA-N 0 0 450.421 4.541 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001458814588 1067153796 /nfs/dbraw/zinc/15/37/96/1067153796.db2.gz SJHSJZGNULFUOW-OAHLLOKOSA-N 0 0 455.451 4.847 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001546029394 1067154542 /nfs/dbraw/zinc/15/45/42/1067154542.db2.gz CFHUHULHKYYPAP-HNNXBMFYSA-N 0 0 460.928 4.697 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CCSc3ccc(Cl)cc3)nc12 ZINC001458819341 1067154917 /nfs/dbraw/zinc/15/49/17/1067154917.db2.gz ZSNWMIXMRZPYLN-UHFFFAOYSA-N 0 0 452.805 4.900 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)C1CCC1 ZINC001451243372 1067155214 /nfs/dbraw/zinc/15/52/14/1067155214.db2.gz QMPLIBDIPUBBMC-OAQYLSRUSA-N 0 0 456.608 4.535 20 0 JJADRN CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC001458820308 1067155598 /nfs/dbraw/zinc/15/55/98/1067155598.db2.gz CKOVVUZKCMFDRJ-MRXNPFEDSA-N 0 0 455.649 4.886 20 0 JJADRN COCc1cc(O)ccc1NC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC001451247299 1067155647 /nfs/dbraw/zinc/15/56/47/1067155647.db2.gz HPWRZZNXDSZQPD-UHFFFAOYSA-N 0 0 455.308 4.806 20 0 JJADRN Cc1ccc(C)c(-n2c(SCC(=O)NCCCc3ccccc3)nc3ccccc3c2=O)c1 ZINC001458821591 1067156097 /nfs/dbraw/zinc/15/60/97/1067156097.db2.gz JZHFZJOKZIEXRC-UHFFFAOYSA-N 0 0 457.599 4.844 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001458820657 1067156107 /nfs/dbraw/zinc/15/61/07/1067156107.db2.gz OKABMIVAMBHXEK-JOCHJYFZSA-N 0 0 458.389 4.998 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC001458820760 1067156139 /nfs/dbraw/zinc/15/61/39/1067156139.db2.gz OZXIWTCGRABMOL-NRFANRHFSA-N 0 0 459.468 4.661 20 0 JJADRN O=Cc1cc(Br)ccc1OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001458821741 1067156164 /nfs/dbraw/zinc/15/61/64/1067156164.db2.gz QDGVWLGXEDSMKL-UHFFFAOYSA-N 0 0 450.638 4.889 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001546103972 1067156261 /nfs/dbraw/zinc/15/62/61/1067156261.db2.gz CTYLSPDIUZRWFL-PKOBYXMFSA-N 0 0 456.505 4.546 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001458822727 1067156506 /nfs/dbraw/zinc/15/65/06/1067156506.db2.gz SVHLXGGUXOYUBR-HXUWFJFHSA-N 0 0 458.331 4.604 20 0 JJADRN CCN(CC)C(=O)OCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC001458822315 1067156526 /nfs/dbraw/zinc/15/65/26/1067156526.db2.gz AESAQWNQUCVFEO-UHFFFAOYSA-N 0 0 457.621 4.913 20 0 JJADRN O=C(CC[C@H]1CCCCO1)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC001458822330 1067156564 /nfs/dbraw/zinc/15/65/64/1067156564.db2.gz MIQTYDIZIAOEBL-HXUWFJFHSA-N 0 0 455.555 4.996 20 0 JJADRN COC(=O)[C@@H](C)c1ccc(NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC001451289017 1067157094 /nfs/dbraw/zinc/15/70/94/1067157094.db2.gz AZLUISOZDCTRBG-IBGZPJMESA-N 0 0 451.567 4.557 20 0 JJADRN CCn1c(=O)c2c3c(sc2nc1SCc1ccc(OCC(F)(F)F)nc1)CCCC3 ZINC001458822972 1067157223 /nfs/dbraw/zinc/15/72/23/1067157223.db2.gz OMHUOYOSBOFWON-UHFFFAOYSA-N 0 0 455.527 4.985 20 0 JJADRN COC(=O)[C@H](C)c1ccc(NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC001451289026 1067157804 /nfs/dbraw/zinc/15/78/04/1067157804.db2.gz AZLUISOZDCTRBG-LJQANCHMSA-N 0 0 451.567 4.557 20 0 JJADRN COc1cc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c(Cl)c(OC)c1 ZINC001451306984 1067158518 /nfs/dbraw/zinc/15/85/18/1067158518.db2.gz XAIYSTQUZLFUQL-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN CC[C@](CNC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C)(C(=O)OC)c1ccccc1 ZINC001451311196 1067158580 /nfs/dbraw/zinc/15/85/80/1067158580.db2.gz PCPBTDPGDNRMDA-MUUNZHRXSA-N 0 0 455.558 4.893 20 0 JJADRN CCS(=O)(=O)NCCSc1nc(-c2ccc(Cl)cc2)cn1-c1cc(C)ccc1C ZINC001458826086 1067159257 /nfs/dbraw/zinc/15/92/57/1067159257.db2.gz ONVWIPVVERHVTI-UHFFFAOYSA-N 0 0 450.029 4.841 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)C1 ZINC001451321774 1067159407 /nfs/dbraw/zinc/15/94/07/1067159407.db2.gz RXDJQVUYCCNZMR-BNLNMVPUSA-N 0 0 454.677 4.654 20 0 JJADRN O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451329185 1067160132 /nfs/dbraw/zinc/16/01/32/1067160132.db2.gz RBFIBEMBNVMGCI-UHFFFAOYSA-N 0 0 459.514 4.627 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(CSc2ccc(F)cc2)cc1 ZINC001451334112 1067160185 /nfs/dbraw/zinc/16/01/85/1067160185.db2.gz YOQWLDVIYPFRSH-RZUBCFFCSA-N 0 0 459.612 4.782 20 0 JJADRN C[C@@](O)(C(=O)N1CCC(Cc2c(F)cccc2F)CC1)c1ccc(F)c(Br)c1 ZINC001451335134 1067160225 /nfs/dbraw/zinc/16/02/25/1067160225.db2.gz DIOJCQCPNSIMHO-NRFANRHFSA-N 0 0 456.302 4.555 20 0 JJADRN CCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC001458828201 1067160356 /nfs/dbraw/zinc/16/03/56/1067160356.db2.gz JLEYBQIVHFQXAC-OAHLLOKOSA-N 0 0 455.649 4.662 20 0 JJADRN Cn1c(COc2ccccc2Cl)nnc1SCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001458829415 1067160595 /nfs/dbraw/zinc/16/05/95/1067160595.db2.gz XFSJBMYPXZOAMC-OAHLLOKOSA-N 0 0 453.008 4.787 20 0 JJADRN O=C1[C@@H](Sc2nncn2-c2ccccc2F)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001458829395 1067160616 /nfs/dbraw/zinc/16/06/16/1067160616.db2.gz XKMMPHSXCMYFJJ-SFHVURJKSA-N 0 0 450.461 4.709 20 0 JJADRN Cn1c(SCc2cc(Br)cc(F)c2F)nnc1[C@@H]1COc2ccccc2O1 ZINC001458828772 1067160835 /nfs/dbraw/zinc/16/08/35/1067160835.db2.gz RWOUXIHEILZLLS-HNNXBMFYSA-N 0 0 454.296 4.661 20 0 JJADRN CCCCCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O ZINC001458831685 1067161347 /nfs/dbraw/zinc/16/13/47/1067161347.db2.gz ALAXDNJSAWCYLS-KRWDZBQOSA-N 0 0 458.628 4.616 20 0 JJADRN CCC(CC)c1cc(Cn2c(C)nnc2N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)on1 ZINC001545821726 1067161578 /nfs/dbraw/zinc/16/15/78/1067161578.db2.gz KNTGSBYFXBDUEV-UHFFFAOYSA-N 0 0 474.650 5.000 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@]3(CCSC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001451377715 1067161883 /nfs/dbraw/zinc/16/18/83/1067161883.db2.gz JRWZAXHSKJVTLI-ITSWEJNFSA-N 0 0 453.023 4.913 20 0 JJADRN CC(C)c1ccc(-n2ccnc2S[C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 ZINC001458832336 1067161917 /nfs/dbraw/zinc/16/19/17/1067161917.db2.gz CMGHIVJCWSVBBH-NQIIRXRSSA-N 0 0 451.592 4.775 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)C[C@@H](C)c3cccc(F)c3)c2C)c1 ZINC001458833590 1067162336 /nfs/dbraw/zinc/16/23/36/1067162336.db2.gz CQEAQSOWUXPICD-MZNJEOGPSA-N 0 0 451.542 4.731 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)on1 ZINC001545821838 1067162398 /nfs/dbraw/zinc/16/23/98/1067162398.db2.gz NBEIOFOSFDOLGP-UHFFFAOYSA-N 0 0 482.604 4.879 20 0 JJADRN Cc1cc(OCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc(C)c1Cl ZINC001451385415 1067162455 /nfs/dbraw/zinc/16/24/55/1067162455.db2.gz FCVYQUBGQDJFRX-LEWJYISDSA-N 0 0 476.976 4.994 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccc(P(C)(C)=O)cc2)COCC3)cc1 ZINC001458833778 1067162389 /nfs/dbraw/zinc/16/23/89/1067162389.db2.gz GEFOQZUTFVVSTI-UHFFFAOYSA-N 0 0 453.500 4.861 20 0 JJADRN Cc1cc(C(=O)NCCCCC(=O)OCc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001458833550 1067162491 /nfs/dbraw/zinc/16/24/91/1067162491.db2.gz DHCMSFBYEZXNNK-UHFFFAOYSA-N 0 0 459.468 4.843 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)on1 ZINC001545822091 1067162848 /nfs/dbraw/zinc/16/28/48/1067162848.db2.gz SVQUADRIDHOJPO-XANCMCCPSA-N 0 0 451.615 4.967 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC(C)(CC(F)(F)F)C2)c(OC)c1 ZINC001451388091 1067163133 /nfs/dbraw/zinc/16/31/33/1067163133.db2.gz JLYYYLZJENYPQN-UHFFFAOYSA-N 0 0 459.468 4.971 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C)C2)on1 ZINC001545822233 1067163595 /nfs/dbraw/zinc/16/35/95/1067163595.db2.gz WUTHHBQPMZTNJL-SJORKVTESA-N 0 0 457.550 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)C[C@H]1c1cccc(F)c1 ZINC001451392590 1067163749 /nfs/dbraw/zinc/16/37/49/1067163749.db2.gz RCQVCJAIBZRGIM-PKOBYXMFSA-N 0 0 466.912 4.516 20 0 JJADRN O=C(CCOc1ccccc1Br)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001545822948 1067164299 /nfs/dbraw/zinc/16/42/99/1067164299.db2.gz VAOJVZYIJFZKQZ-UHFFFAOYSA-N 0 0 453.336 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC001545822506 1067164373 /nfs/dbraw/zinc/16/43/73/1067164373.db2.gz FXPACRNGOMREDP-RBBKRZOGSA-N 0 0 451.567 4.639 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC12CCCC2 ZINC001451394766 1067164394 /nfs/dbraw/zinc/16/43/94/1067164394.db2.gz YWZPZVHYLUTOOA-OAQYLSRUSA-N 0 0 453.048 4.946 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COc2cccc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC001451394383 1067164404 /nfs/dbraw/zinc/16/44/04/1067164404.db2.gz WSDSIRDZXWRUMY-XZOQPEGZSA-N 0 0 464.537 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC001451398829 1067164931 /nfs/dbraw/zinc/16/49/31/1067164931.db2.gz JFRXCICOOUISJQ-CWBXHPNXSA-N 0 0 456.533 4.978 20 0 JJADRN COc1cccc(C(C)(C)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451401962 1067165070 /nfs/dbraw/zinc/16/50/70/1067165070.db2.gz OWHCTQWZJWQXDS-FCHUYYIVSA-N 0 0 456.558 4.631 20 0 JJADRN COC(=O)c1ccc(-c2nc(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)co2)cc1 ZINC001458837709 1067165500 /nfs/dbraw/zinc/16/55/00/1067165500.db2.gz YFUOQIWAQUTKRP-UHFFFAOYSA-N 0 0 456.911 4.771 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC001458837096 1067165586 /nfs/dbraw/zinc/16/55/86/1067165586.db2.gz JLXVNRAYVCKFCW-SGTLLEGYSA-N 0 0 459.295 4.891 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451407432 1067165654 /nfs/dbraw/zinc/16/56/54/1067165654.db2.gz XTVMPBPNUKDTAR-WGDIFIGCSA-N 0 0 453.558 4.805 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2ccc(C)o2)on1 ZINC001545823210 1067165685 /nfs/dbraw/zinc/16/56/85/1067165685.db2.gz DTCOFIFDRXRVIQ-UHFFFAOYSA-N 0 0 497.621 4.826 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NC[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC001451408438 1067166189 /nfs/dbraw/zinc/16/61/89/1067166189.db2.gz FXMYCGMGEMXNOM-GGAORHGYSA-N 0 0 454.364 4.981 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)C[C@H]1c1ccccc1F ZINC001451408910 1067166413 /nfs/dbraw/zinc/16/64/13/1067166413.db2.gz BXADPNFAYPYSOQ-SIKLNZKXSA-N 0 0 455.505 4.508 20 0 JJADRN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC001458838072 1067166328 /nfs/dbraw/zinc/16/63/28/1067166328.db2.gz KKKQZPSJKNAYPV-HXUWFJFHSA-N 0 0 459.855 4.734 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2cnccc2C(C)(C)C)[C@@H]1c1ccc(OC)cc1 ZINC001451409573 1067166785 /nfs/dbraw/zinc/16/67/85/1067166785.db2.gz GCWWCXFRLMEVKK-RDGATRHJSA-N 0 0 451.611 4.784 20 0 JJADRN O=C(CCSc1ccccc1Br)NC[C@H](O)c1ccccc1Br ZINC001451409370 1067166797 /nfs/dbraw/zinc/16/67/97/1067166797.db2.gz IMGLYJYJXWLHFK-HNNXBMFYSA-N 0 0 459.203 4.544 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451408932 1067166839 /nfs/dbraw/zinc/16/68/39/1067166839.db2.gz CMPBYIQBRHHPRF-FUHWJXTLSA-N 0 0 471.554 4.984 20 0 JJADRN Cc1ccc(-n2c3ccccc3nc2SCCN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC001458839315 1067166734 /nfs/dbraw/zinc/16/67/34/1067166734.db2.gz UHBWGKGGUKNCQS-UHFFFAOYSA-N 0 0 451.617 4.888 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(=O)NC)CC2)on1 ZINC001545823465 1067166882 /nfs/dbraw/zinc/16/68/82/1067166882.db2.gz NHXYGDAXFYSEPO-UHFFFAOYSA-N 0 0 485.032 4.891 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)on1 ZINC001545823669 1067168133 /nfs/dbraw/zinc/16/81/33/1067168133.db2.gz ULXABCFTBJABOQ-JPYJTQIMSA-N 0 0 497.640 4.888 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@H]1c1ccccc1F ZINC001451411932 1067168129 /nfs/dbraw/zinc/16/81/29/1067168129.db2.gz NVSMROYBLVKLQN-SXLOBPIMSA-N 0 0 478.605 4.649 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NCc1cnccc1C(C)(C)C ZINC001451412832 1067168629 /nfs/dbraw/zinc/16/86/29/1067168629.db2.gz VDOBIBFTUGAGOQ-OAQYLSRUSA-N 0 0 451.567 4.878 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)C(C)(C)C)CC2)on1 ZINC001545823798 1067168579 /nfs/dbraw/zinc/16/85/79/1067168579.db2.gz ZKNNCHORBUSKNW-UHFFFAOYSA-N 0 0 482.604 4.719 20 0 JJADRN CN(C)c1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccccc21 ZINC001451413383 1067169290 /nfs/dbraw/zinc/16/92/90/1067169290.db2.gz WAQXHWXIXDWYHH-WMZHIEFXSA-N 0 0 478.568 4.573 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N(C)C[C@H](O)c1cccc(Br)c1)c(C)n2C1CC1 ZINC001451413973 1067169391 /nfs/dbraw/zinc/16/93/91/1067169391.db2.gz NXHXMYBAIHNXCQ-NRFANRHFSA-N 0 0 457.368 4.861 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)on1 ZINC001545824708 1067169747 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CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001458846589 1067170560 /nfs/dbraw/zinc/17/05/60/1067170560.db2.gz PYPWVGJINRLSPJ-GHTZIAJQSA-N 0 0 459.999 4.884 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)on1 ZINC001545825000 1067170536 /nfs/dbraw/zinc/17/05/36/1067170536.db2.gz PNZOSTBOCWNETI-UHFFFAOYSA-N 0 0 451.575 4.617 20 0 JJADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCCc1ccccc1Oc1ccc(C)cc1 ZINC001451429386 1067170734 /nfs/dbraw/zinc/17/07/34/1067170734.db2.gz BXMYGWMAGMQFAH-JJIBRWJFSA-N 0 0 457.509 4.578 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)on1 ZINC001545825140 1067171105 /nfs/dbraw/zinc/17/11/05/1067171105.db2.gz TWTHFLKEDTYCIH-UHFFFAOYSA-N 0 0 496.631 4.954 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545825134 1067171179 /nfs/dbraw/zinc/17/11/79/1067171179.db2.gz SZKCNEUAFKQMGV-WIYYLYMNSA-N 0 0 488.633 4.563 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545825131 1067171196 /nfs/dbraw/zinc/17/11/96/1067171196.db2.gz SZKCNEUAFKQMGV-GHTZIAJQSA-N 0 0 488.633 4.563 20 0 JJADRN Cc1cccc(C)c1-n1c(SCc2ccc(S(C)(=O)=O)cc2)nc2ccccc2c1=O ZINC001458849251 1067171246 /nfs/dbraw/zinc/17/12/46/1067171246.db2.gz YFRIWYJISLGHEI-UHFFFAOYSA-N 0 0 450.585 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)C1 ZINC001451430918 1067171305 /nfs/dbraw/zinc/17/13/05/1067171305.db2.gz KPYNKMYVPKOQMN-GGAORHGYSA-N 0 0 452.570 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 ZINC001451430786 1067171378 /nfs/dbraw/zinc/17/13/78/1067171378.db2.gz IWZTZUGZNMDBCL-DNQXCXABSA-N 0 0 452.595 4.693 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCc2ccccc2F)on1 ZINC001545825194 1067171576 /nfs/dbraw/zinc/17/15/76/1067171576.db2.gz VTDFGJSKSNQZAT-HXUWFJFHSA-N 0 0 455.578 4.930 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccccc3OC)nnc2N2C[C@H](C)OC(C)(C)C2)on1 ZINC001545825259 1067171590 /nfs/dbraw/zinc/17/15/90/1067171590.db2.gz XFUCSQIQSVDJGT-SFHVURJKSA-N 0 0 467.614 4.821 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccco2)on1 ZINC001545825304 1067171622 /nfs/dbraw/zinc/17/16/22/1067171622.db2.gz YVBNWEHYXCMOFB-GOSISDBHSA-N 0 0 451.575 4.870 20 0 JJADRN COC(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@H](C)C3)OC ZINC001458849879 1067171852 /nfs/dbraw/zinc/17/18/52/1067171852.db2.gz DPVIQRVOCGQKNH-LBPRGKRZSA-N 0 0 451.013 4.936 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccco2)on1 ZINC001545825305 1067172101 /nfs/dbraw/zinc/17/21/01/1067172101.db2.gz YVBNWEHYXCMOFB-SFHVURJKSA-N 0 0 451.575 4.870 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)C1 ZINC001451435763 1067172102 /nfs/dbraw/zinc/17/21/02/1067172102.db2.gz LJLWMTWBHVSRCQ-KJJMTIBFSA-N 0 0 463.018 4.754 20 0 JJADRN CCC(CC)(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)C(=O)OC ZINC001458851559 1067172504 /nfs/dbraw/zinc/17/25/04/1067172504.db2.gz ILBBJEWPAAGOGP-KRWDZBQOSA-N 0 0 452.576 4.646 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)[C@@]3(C)CCCc4ccccc43)CC2)C1 ZINC001451441429 1067172630 /nfs/dbraw/zinc/17/26/30/1067172630.db2.gz QUHOQQNLCBOFJR-ZYVVXELTSA-N 0 0 456.627 4.592 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CCN1CCc2sccc2C1 ZINC001545826094 1067172660 /nfs/dbraw/zinc/17/26/60/1067172660.db2.gz FMWIGSKEFNOXHR-LJQANCHMSA-N 0 0 480.682 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1Cc1sc(C)nc1C ZINC001545826110 1067172668 /nfs/dbraw/zinc/17/26/68/1067172668.db2.gz FWZZTTMENFQJRZ-QGZVFWFLSA-N 0 0 454.644 4.824 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1Cc1cccc(C(F)(F)F)n1 ZINC001545826009 1067172676 /nfs/dbraw/zinc/17/26/76/1067172676.db2.gz COHKKMXXZVLFAR-HNNXBMFYSA-N 0 0 490.530 4.562 20 0 JJADRN CCc1sc2nc(SCCOC[C@H]3CCCO3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC001458852623 1067173136 /nfs/dbraw/zinc/17/31/36/1067173136.db2.gz NXCYABGIRUVJRF-LJQANCHMSA-N 0 0 458.649 4.973 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451460268 1067173330 /nfs/dbraw/zinc/17/33/30/1067173330.db2.gz JHKUUUWXWDSZAL-MJGOQNOKSA-N 0 0 456.999 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H](C)c1c(C)noc1C ZINC001545826292 1067173481 /nfs/dbraw/zinc/17/34/81/1067173481.db2.gz JWWVWYXIXUNEBG-DOTOQJQBSA-N 0 0 470.593 4.942 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCC(F)(F)C1 ZINC001545826149 1067173531 /nfs/dbraw/zinc/17/35/31/1067173531.db2.gz HGDLWBZCRBMQFB-CVEARBPZSA-N 0 0 451.537 4.968 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@H](CO)c2ccc(F)cc2)c1 ZINC001451471971 1067173853 /nfs/dbraw/zinc/17/38/53/1067173853.db2.gz TVZWOULKDVJCNA-OAQYLSRUSA-N 0 0 459.521 4.501 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@H](C)c1ncc(C)s1 ZINC001545826399 1067173887 /nfs/dbraw/zinc/17/38/87/1067173887.db2.gz MAOFBJRELFBKFZ-FUHWJXTLSA-N 0 0 454.644 4.963 20 0 JJADRN CCC(CC)c1cc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(NC(C)=O)CC2)on1 ZINC001545826390 1067173911 /nfs/dbraw/zinc/17/39/11/1067173911.db2.gz LULVSMSDAIRJGM-UHFFFAOYSA-N 0 0 496.681 4.924 20 0 JJADRN CCOc1cccc(CN(CCO)C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)c1 ZINC001451467749 1067173974 /nfs/dbraw/zinc/17/39/74/1067173974.db2.gz GZNRAUKFNMSUAR-UHFFFAOYSA-N 0 0 452.776 4.554 20 0 JJADRN C[C@@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCc1c(Br)cnn1C ZINC001458855332 1067174256 /nfs/dbraw/zinc/17/42/56/1067174256.db2.gz XAVROCJDMZCUIW-AWEZNQCLSA-N 0 0 455.381 4.794 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCO[C@@H](C(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)on1 ZINC001545826553 1067174645 /nfs/dbraw/zinc/17/46/45/1067174645.db2.gz PQIMFHBMLFOMIE-ATIYNZHBSA-N 0 0 489.661 4.510 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)ccc1-n1nnnc1C(C)C 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/nfs/dbraw/zinc/17/60/53/1067176053.db2.gz GJULUVCCDDMFMG-UHFFFAOYSA-N 0 0 455.386 4.817 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)c2ccccc12 ZINC001451519830 1067176086 /nfs/dbraw/zinc/17/60/86/1067176086.db2.gz CJWRIYWEOCHTEM-VEXUSMLFSA-N 0 0 452.595 4.959 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001546031711 1067176110 /nfs/dbraw/zinc/17/61/10/1067176110.db2.gz RQADBWPDSCBBSK-UHFFFAOYSA-N 0 0 461.397 4.581 20 0 JJADRN Cc1cc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c2ccc(Br)cc2n1 ZINC001451520198 1067176121 /nfs/dbraw/zinc/17/61/21/1067176121.db2.gz NOASBDAPLIESFW-UHFFFAOYSA-N 0 0 450.377 4.635 20 0 JJADRN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458859886 1067176224 /nfs/dbraw/zinc/17/62/24/1067176224.db2.gz XLIDOVATUCWGMG-DYVFJYSZSA-N 0 0 450.423 4.747 20 0 JJADRN O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001458859567 1067176228 /nfs/dbraw/zinc/17/62/28/1067176228.db2.gz DGJPZYQXYXXFIO-UHFFFAOYSA-N 0 0 454.521 4.852 20 0 JJADRN C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccc(OC(F)F)cc1 ZINC001458860495 1067176235 /nfs/dbraw/zinc/17/62/35/1067176235.db2.gz LSZSZYFVLMJREP-AWEZNQCLSA-N 0 0 450.486 4.698 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC1CC(C)(C)C1 ZINC001545826803 1067176207 /nfs/dbraw/zinc/17/62/07/1067176207.db2.gz UEHABIXWEQYXSR-UAIZEJDJSA-N 0 0 473.687 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC1CC(C)(C)C1 ZINC001545826804 1067176257 /nfs/dbraw/zinc/17/62/57/1067176257.db2.gz UEHABIXWEQYXSR-UGAOPGRHSA-N 0 0 473.687 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545826754 1067176301 /nfs/dbraw/zinc/17/63/01/1067176301.db2.gz SPBMJKQHGILITJ-JXFKEZNVSA-N 0 0 475.584 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826828 1067176323 /nfs/dbraw/zinc/17/63/23/1067176323.db2.gz UOGOFTLGAGEJKV-LEWJYISDSA-N 0 0 477.657 4.785 20 0 JJADRN COc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1S(C)(=O)=O ZINC001451528582 1067176799 /nfs/dbraw/zinc/17/67/99/1067176799.db2.gz XVHAMHWEEVYMGK-UHFFFAOYSA-N 0 0 454.529 4.735 20 0 JJADRN O=S(=O)(c1ccc(OCc2cccc(Oc3ccc(Cl)cc3)c2)cc1)N1CCOCC1 ZINC001458862556 1067177197 /nfs/dbraw/zinc/17/71/97/1067177197.db2.gz QISAVUQGUBVZMD-UHFFFAOYSA-N 0 0 459.951 4.732 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCc3nc(Cc4cccc(F)c4)no3)n2C)cc1 ZINC001458863602 1067177366 /nfs/dbraw/zinc/17/73/66/1067177366.db2.gz VHQFYQLXCPXSMZ-UHFFFAOYSA-N 0 0 452.559 4.734 20 0 JJADRN CC1(C)CCc2onc(CSc3nnc(COc4c(Cl)cccc4Cl)n3N)c2C1 ZINC001458864808 1067177769 /nfs/dbraw/zinc/17/77/69/1067177769.db2.gz BXMPMKHNDGJJQE-UHFFFAOYSA-N 0 0 454.383 4.673 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545827907 1067178298 /nfs/dbraw/zinc/17/82/98/1067178298.db2.gz DYOWSGJOAREOQN-UHFFFAOYSA-N 0 0 462.038 4.922 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1 ZINC001458865546 1067178352 /nfs/dbraw/zinc/17/83/52/1067178352.db2.gz ULYDODPZNIYDAS-UHFFFAOYSA-N 0 0 457.559 4.774 20 0 JJADRN CS(=O)(=O)C1(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)CCCCC1 ZINC001458864872 1067178358 /nfs/dbraw/zinc/17/83/58/1067178358.db2.gz YQIQOPXRJRDREV-UHFFFAOYSA-N 0 0 451.397 4.795 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001451571316 1067178532 /nfs/dbraw/zinc/17/85/32/1067178532.db2.gz CJZNGEOOYQQPAB-MSOLQXFVSA-N 0 0 452.551 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001545828426 1067179205 /nfs/dbraw/zinc/17/92/05/1067179205.db2.gz UJYUYHFSZWXOII-UGKGYDQZSA-N 0 0 498.672 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CC1(C)CCCC1 ZINC001545829690 1067179715 /nfs/dbraw/zinc/17/97/15/1067179715.db2.gz DDFMHJPSTXTRLZ-HSZRJFAPSA-N 0 0 466.674 4.882 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001451579012 1067179762 /nfs/dbraw/zinc/17/97/62/1067179762.db2.gz VYPCJGRXWIMGMB-IRXDYDNUSA-N 0 0 456.505 4.718 20 0 JJADRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545829105 1067179742 /nfs/dbraw/zinc/17/97/42/1067179742.db2.gz OJCWOEPEHYRGSV-UWJYYQICSA-N 0 0 454.368 4.535 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)cc1 ZINC001451588767 1067180486 /nfs/dbraw/zinc/18/04/86/1067180486.db2.gz MJZGLZYSLFPOEE-PXLXIMEGSA-N 0 0 451.544 4.515 20 0 JJADRN O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001451596132 1067180519 /nfs/dbraw/zinc/18/05/19/1067180519.db2.gz PBTHSTZKIDXMPR-FQEVSTJZSA-N 0 0 454.317 4.610 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C ZINC001458872860 1067180897 /nfs/dbraw/zinc/18/08/97/1067180897.db2.gz CGBRVGQCFYGHFR-INIZCTEOSA-N 0 0 453.404 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001545830062 1067180958 /nfs/dbraw/zinc/18/09/58/1067180958.db2.gz MFOGDFSBILDAIT-IUBQTAPSSA-N 0 0 476.065 4.773 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br)CC(F)(F)F ZINC001451627828 1067181049 /nfs/dbraw/zinc/18/10/49/1067181049.db2.gz BURIDWOCTDWQRM-BXUZGUMPSA-N 0 0 453.299 4.720 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O)CC(F)(F)F ZINC001451629587 1067181059 /nfs/dbraw/zinc/18/10/59/1067181059.db2.gz DFEWCOGULRMOET-LLVKDONJSA-N 0 0 459.262 4.725 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)cc2C1 ZINC001458873880 1067181749 /nfs/dbraw/zinc/18/17/49/1067181749.db2.gz KOZRJUUUGMYYJV-AWEZNQCLSA-N 0 0 453.276 4.575 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1Cc1cc(Br)cs1 ZINC001545830524 1067182286 /nfs/dbraw/zinc/18/22/86/1067182286.db2.gz WWXYUWUYCDFYJN-UHFFFAOYSA-N 0 0 468.465 4.838 20 0 JJADRN Cc1ccc(-n2c(SCc3ccc(OCC(F)(F)F)nn3)nnc2-c2ccncc2)cc1 ZINC001458874304 1067182372 /nfs/dbraw/zinc/18/23/72/1067182372.db2.gz DTIWMUZKKKIAFM-UHFFFAOYSA-N 0 0 458.469 4.661 20 0 JJADRN COc1cc(OC(=O)c2cc(-c3ccc(Br)cc3)ns2)cc(OC)c1OC ZINC001458875124 1067182484 /nfs/dbraw/zinc/18/24/84/1067182484.db2.gz MWZRTOUHXPKNSU-UHFFFAOYSA-N 0 0 450.310 4.818 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001546033062 1067183132 /nfs/dbraw/zinc/18/31/32/1067183132.db2.gz MLUIKMXNQUOGSF-JOCHJYFZSA-N 0 0 474.621 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC001458876274 1067183176 /nfs/dbraw/zinc/18/31/76/1067183176.db2.gz NYZBUZUCZWPSGQ-SJLPKXTDSA-N 0 0 450.526 4.722 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccoc2C)n1CCc1nc(C(C)(C)C)cs1 ZINC001545833896 1067184231 /nfs/dbraw/zinc/18/42/31/1067184231.db2.gz OVSNABJURAZNBT-UHFFFAOYSA-N 0 0 472.659 4.731 20 0 JJADRN C[C@H]1C[C@@H](CCNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001458879537 1067184323 /nfs/dbraw/zinc/18/43/23/1067184323.db2.gz NWXRQTQEBJVFSW-KBPBESRZSA-N 0 0 455.908 4.968 20 0 JJADRN C[C@H]1C[C@H](CCNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001458879555 1067184355 /nfs/dbraw/zinc/18/43/55/1067184355.db2.gz NWXRQTQEBJVFSW-UONOGXRCSA-N 0 0 455.908 4.968 20 0 JJADRN COC(=O)c1cn(CC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccccc12 ZINC001458880711 1067184376 /nfs/dbraw/zinc/18/43/76/1067184376.db2.gz TXKNUTUCIUIVCG-SFHVURJKSA-N 0 0 458.358 4.867 20 0 JJADRN C[C@@H]1C[C@@H](CCNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001458879546 1067184457 /nfs/dbraw/zinc/18/44/57/1067184457.db2.gz NWXRQTQEBJVFSW-KGLIPLIRSA-N 0 0 455.908 4.968 20 0 JJADRN C[C@H](C(=O)OC(C)(C)C)N(C(=O)CCc1nc2cc(Br)ccc2s1)C1CC1 ZINC001451661711 1067184595 /nfs/dbraw/zinc/18/45/95/1067184595.db2.gz MJMNVBVBLFOJSN-GFCCVEGCSA-N 0 0 453.402 4.713 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001545834837 1067184840 /nfs/dbraw/zinc/18/48/40/1067184840.db2.gz BPYWKMGBXKQBOS-UHFFFAOYSA-N 0 0 480.016 4.719 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC(=O)Nc3c(F)cccc32)cc1)c1cc(Cl)cc(Cl)c1 ZINC001458880981 1067184894 /nfs/dbraw/zinc/18/48/94/1067184894.db2.gz UJYYKTBNCRAGMF-UHFFFAOYSA-N 0 0 458.276 4.984 20 0 JJADRN CC[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c2cccc(Cl)c2O1 ZINC001458881302 1067185536 /nfs/dbraw/zinc/18/55/36/1067185536.db2.gz XUUZZUAQWPVTLK-UWJYYQICSA-N 0 0 453.970 4.709 20 0 JJADRN CC(C)NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001458881569 1067185574 /nfs/dbraw/zinc/18/55/74/1067185574.db2.gz JULOMCUQQFACRE-UHFFFAOYSA-N 0 0 452.580 4.903 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458882599 1067185584 /nfs/dbraw/zinc/18/55/84/1067185584.db2.gz MSEIPHXEEUIIKW-SFHVURJKSA-N 0 0 459.468 4.546 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)CCc2cccc(OC(C)(C)C)n2)cc1 ZINC001458882901 1067185589 /nfs/dbraw/zinc/18/55/89/1067185589.db2.gz WDEKOFLHVZXWNO-UHFFFAOYSA-N 0 0 457.571 4.734 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@@H]1CCC[C@H]1C ZINC001545835075 1067185826 /nfs/dbraw/zinc/18/58/26/1067185826.db2.gz KMFJWEQLKAKADV-ZBFHGGJFSA-N 0 0 451.537 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@](C)(O)c1ccsc1 ZINC001545835014 1067185906 /nfs/dbraw/zinc/18/59/06/1067185906.db2.gz ISCTWPUIWWSRLI-OAQYLSRUSA-N 0 0 482.075 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@](C)(O)c1ccsc1 ZINC001545835013 1067185921 /nfs/dbraw/zinc/18/59/21/1067185921.db2.gz ISCTWPUIWWSRLI-NRFANRHFSA-N 0 0 482.075 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1Cc1cccc(C(F)(F)F)n1 ZINC001545835053 1067186029 /nfs/dbraw/zinc/18/60/29/1067186029.db2.gz JYSIWXKZTMTETP-UHFFFAOYSA-N 0 0 480.560 4.665 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCc2cc(Cl)ccc2C1 ZINC001458883593 1067186127 /nfs/dbraw/zinc/18/61/27/1067186127.db2.gz AWKFXJSHBFBBKH-UHFFFAOYSA-N 0 0 452.761 4.732 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC1(SC)CCC1 ZINC001545835031 1067186058 /nfs/dbraw/zinc/18/60/58/1067186058.db2.gz JMGPYQWCQSQONW-UHFFFAOYSA-N 0 0 455.628 4.865 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001546033245 1067186862 /nfs/dbraw/zinc/18/68/62/1067186862.db2.gz RLSNVHWGUFPAHO-OXJNMPFZSA-N 0 0 477.447 4.957 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001546033246 1067186888 /nfs/dbraw/zinc/18/68/88/1067186888.db2.gz RLSNVHWGUFPAHO-OXQOHEQNSA-N 0 0 477.447 4.957 20 0 JJADRN CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nnc(C2CC2)s1 ZINC001458892244 1067187657 /nfs/dbraw/zinc/18/76/57/1067187657.db2.gz FCWFHDGTJBJKML-UHFFFAOYSA-N 0 0 451.017 4.886 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1Cc1cc(C(C)(C)C)no1 ZINC001545836222 1067188836 /nfs/dbraw/zinc/18/88/36/1067188836.db2.gz GLIIFOLFEVDLAJ-UHFFFAOYSA-N 0 0 473.021 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001545836236 1067188858 /nfs/dbraw/zinc/18/88/58/1067188858.db2.gz GYOBKIPFPWQAFB-QPPBQGQZSA-N 0 0 499.700 4.991 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001545836237 1067188967 /nfs/dbraw/zinc/18/89/67/1067188967.db2.gz GYOBKIPFPWQAFB-URXFXBBRSA-N 0 0 499.700 4.991 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N1CCC[C@H]1Cc1ccccc1Br ZINC001451733421 1067189036 /nfs/dbraw/zinc/18/90/36/1067189036.db2.gz BNSMRWXIVWSUQR-INIZCTEOSA-N 0 0 453.174 4.693 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCC[C@@H]3Cc3ccccc3Br)c2N1 ZINC001451736645 1067189678 /nfs/dbraw/zinc/18/96/78/1067189678.db2.gz JQZMJIPXPXZGCO-SUYBPPKGSA-N 0 0 453.331 4.503 20 0 JJADRN COc1cccc2c1ncc(C)c2NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001458897055 1067189679 /nfs/dbraw/zinc/18/96/79/1067189679.db2.gz VKMFUVFRTZKZFG-UHFFFAOYSA-N 0 0 451.324 4.811 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1C[C@@H](OC)C(C)(C)C ZINC001545836485 1067189769 /nfs/dbraw/zinc/18/97/69/1067189769.db2.gz ORRBVUCIVNVSJR-LJQANCHMSA-N 0 0 483.579 4.913 20 0 JJADRN CC1CCN(c2nnc(SCCOc3ccc(F)c(Cl)c3)n2C[C@H]2CCCO2)CC1 ZINC001458899886 1067190129 /nfs/dbraw/zinc/19/01/29/1067190129.db2.gz GURNJJXMGARFCR-QGZVFWFLSA-N 0 0 454.999 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC1(SC)CCC1 ZINC001545836697 1067190235 /nfs/dbraw/zinc/19/02/35/1067190235.db2.gz WEFTWQBVYAIMCK-UHFFFAOYSA-N 0 0 450.052 4.772 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2cc(Br)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C ZINC001451739200 1067190163 /nfs/dbraw/zinc/19/01/63/1067190163.db2.gz NWKXPFPPGHGUGM-BXUZGUMPSA-N 0 0 463.319 4.568 20 0 JJADRN C[C@@H]1[C@H](NC(=O)CCCCOc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C ZINC001451739943 1067190204 /nfs/dbraw/zinc/19/02/04/1067190204.db2.gz MKBWYBGJZKPHEJ-VQIMIIECSA-N 0 0 469.420 4.902 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001451739004 1067190286 /nfs/dbraw/zinc/19/02/86/1067190286.db2.gz YWDYNAYGOPOXLD-INIZCTEOSA-N 0 0 452.473 4.981 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2SC)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545837459 1067190818 /nfs/dbraw/zinc/19/08/18/1067190818.db2.gz DBIIASZVNDNWNG-IBGZPJMESA-N 0 0 477.625 4.990 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n[nH]1 ZINC001545837284 1067190951 /nfs/dbraw/zinc/19/09/51/1067190951.db2.gz VBESPJSJLHSYHM-HSZRJFAPSA-N 0 0 453.546 4.842 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2nnc(C)s2)C1 ZINC001546104619 1067190913 /nfs/dbraw/zinc/19/09/13/1067190913.db2.gz CWOQKACOQRJENC-UHFFFAOYSA-N 0 0 470.643 4.772 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC001451793646 1067191346 /nfs/dbraw/zinc/19/13/46/1067191346.db2.gz MFDGUPGNQJFQAT-UHFFFAOYSA-N 0 0 456.530 4.743 20 0 JJADRN CC(=O)CN(CC(C)C)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001451788213 1067191381 /nfs/dbraw/zinc/19/13/81/1067191381.db2.gz BJBXKOVVDOCTKR-UHFFFAOYSA-N 0 0 451.823 4.866 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)Sc1n[nH]c(C=Cc2ccccc2)n1 ZINC001458903674 1067191408 /nfs/dbraw/zinc/19/14/08/1067191408.db2.gz NUKHERQDHIGBQN-GETOMWPZSA-N 0 0 456.593 4.895 20 0 JJADRN CN(CCC1CCN(C(=O)CCc2ccc(Br)cc2)CC1)C(=O)OC(C)(C)C ZINC001545838299 1067191354 /nfs/dbraw/zinc/19/13/54/1067191354.db2.gz JJOCIDWEFIGARC-UHFFFAOYSA-N 0 0 453.421 4.877 20 0 JJADRN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451746788 1067191476 /nfs/dbraw/zinc/19/14/76/1067191476.db2.gz SYJKTFKGHUIJTD-FXABVQRQSA-N 0 0 454.998 4.558 20 0 JJADRN CN(CCC1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001545838676 1067191916 /nfs/dbraw/zinc/19/19/16/1067191916.db2.gz ZLKQZNNDSMUJDA-UHFFFAOYSA-N 0 0 451.564 4.736 20 0 JJADRN CC(C)[C@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)ONC(=O)OC(C)(C)C ZINC001451798302 1067192024 /nfs/dbraw/zinc/19/20/24/1067192024.db2.gz ZRZHXIZXJDOACD-KRWDZBQOSA-N 0 0 453.992 4.603 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CCc1cc(Cl)cs1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905933 1067192466 /nfs/dbraw/zinc/19/24/66/1067192466.db2.gz RWUOEXROLSAYDQ-QFIPXVFZSA-N 0 0 459.999 4.616 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545838958 1067192542 /nfs/dbraw/zinc/19/25/42/1067192542.db2.gz JZTODRCREFAMKK-SJORKVTESA-N 0 0 454.644 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccon2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001545839251 1067192661 /nfs/dbraw/zinc/19/26/61/1067192661.db2.gz WAPLJQYSCDEQGX-UKIBZPOASA-N 0 0 456.978 4.593 20 0 JJADRN Cc1c(C(=O)NCc2ccccc2OCCC(C)C)nnn1-c1ccccc1Br ZINC001458908103 1067193068 /nfs/dbraw/zinc/19/30/68/1067193068.db2.gz RFQVHBWBXOGISM-UHFFFAOYSA-N 0 0 457.372 4.693 20 0 JJADRN Cc1oc2nc(S[C@H](C)C(=O)Nc3nccs3)nc(NC(=O)c3ccccc3)c2c1C ZINC001458908013 1067193085 /nfs/dbraw/zinc/19/30/85/1067193085.db2.gz QVHCCJCHEOTTCY-CYBMUJFWSA-N 0 0 453.549 4.668 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC001458908124 1067193119 /nfs/dbraw/zinc/19/31/19/1067193119.db2.gz LKLYYWHJJILQKG-MWTRTKDXSA-N 0 0 450.362 4.928 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)c1c(C)nn(Cc2ccccc2)c1C ZINC001458908388 1067193141 /nfs/dbraw/zinc/19/31/41/1067193141.db2.gz XJTXNGPKOQPBEI-BFLUCZKCSA-N 0 0 459.590 4.635 20 0 JJADRN CC[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C[C@H](CC)O1 ZINC001451809811 1067193283 /nfs/dbraw/zinc/19/32/83/1067193283.db2.gz QATQZBJJXVCTPL-PMACEKPBSA-N 0 0 458.484 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccccc1C ZINC001545839317 1067193269 /nfs/dbraw/zinc/19/32/69/1067193269.db2.gz YLIDBKNJUBQXGP-UHFFFAOYSA-N 0 0 480.560 4.665 20 0 JJADRN Cc1ccc(C(=O)NCc2ccccc2OCCC(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001458910233 1067193614 /nfs/dbraw/zinc/19/36/14/1067193614.db2.gz CRZOTXCBEMISLW-UHFFFAOYSA-N 0 0 458.624 4.571 20 0 JJADRN FC(F)(F)[C@H]1CC[C@@H](COc2c(I)cc(Cl)c3cccnc32)O1 ZINC001458911274 1067193733 /nfs/dbraw/zinc/19/37/33/1067193733.db2.gz NWSZCIBWOXEYMD-QPUJVOFHSA-N 0 0 457.617 4.982 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CCC(=O)c1ccc(OC)c(OC)c1OC ZINC001451852014 1067193902 /nfs/dbraw/zinc/19/39/02/1067193902.db2.gz ASJBZTBLSCPNTO-SFHVURJKSA-N 0 0 455.551 4.545 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1ccc(Cl)cc1OC ZINC001545840598 1067193901 /nfs/dbraw/zinc/19/39/01/1067193901.db2.gz HSPZPFAAXIJMBI-KRWDZBQOSA-N 0 0 460.022 4.699 20 0 JJADRN Cc1cc(C)cc(C2=CCN(C(=O)c3cc4n(n3)CCC[C@H]4NC(=O)OC(C)(C)C)CC2)c1 ZINC001545841298 1067194407 /nfs/dbraw/zinc/19/44/07/1067194407.db2.gz AUODEHFZELTKKP-OAQYLSRUSA-N 0 0 450.583 4.789 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001451856738 1067194471 /nfs/dbraw/zinc/19/44/71/1067194471.db2.gz CAYKWWUVOKEMKW-INIZCTEOSA-N 0 0 457.456 4.774 20 0 JJADRN Nc1noc2cc(CNC(=O)c3ccccc3OCc3ccc(Br)cc3)ccc12 ZINC001451858930 1067194662 /nfs/dbraw/zinc/19/46/62/1067194662.db2.gz WXRMDZLZANEIPI-UHFFFAOYSA-N 0 0 452.308 4.682 20 0 JJADRN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2ccc(Cl)nc2C(F)(F)F)C1=O ZINC001458912962 1067194761 /nfs/dbraw/zinc/19/47/61/1067194761.db2.gz BRDYQYNAMWKAIV-MRXNPFEDSA-N 0 0 451.754 4.740 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001545842235 1067195013 /nfs/dbraw/zinc/19/50/13/1067195013.db2.gz QJHSEHVMWXSSEL-QGZVFWFLSA-N 0 0 467.992 4.964 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001545842234 1067195034 /nfs/dbraw/zinc/19/50/34/1067195034.db2.gz QJHSEHVMWXSSEL-KRWDZBQOSA-N 0 0 467.992 4.964 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545842502 1067195064 /nfs/dbraw/zinc/19/50/64/1067195064.db2.gz ZYYKRURIXOTPFI-ROUUACIJSA-N 0 0 476.065 4.732 20 0 JJADRN O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCc2c1cccc2Br ZINC001451861286 1067195340 /nfs/dbraw/zinc/19/53/40/1067195340.db2.gz NCKAXGQVOXFIGV-ZDUSSCGKSA-N 0 0 454.151 4.698 20 0 JJADRN COC(=O)c1csc(COc2c(I)cc(Cl)c3cccnc32)c1 ZINC001458915568 1067195352 /nfs/dbraw/zinc/19/53/52/1067195352.db2.gz VTHPSBXTJCFUKL-UHFFFAOYSA-N 0 0 459.692 4.920 20 0 JJADRN CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H](CC)C(=O)OCC ZINC001458915893 1067195431 /nfs/dbraw/zinc/19/54/31/1067195431.db2.gz RYFHHHXOGMVOKJ-QHCPKHFHSA-N 0 0 451.542 4.801 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@H]1Cc2ccccc2O1 ZINC001545843906 1067195665 /nfs/dbraw/zinc/19/56/65/1067195665.db2.gz MSKFNUBFZFWBBK-PGRDOPGGSA-N 0 0 453.631 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c(F)cccc2F)n1Cc1cc(C(C)(C)C)no1 ZINC001545843672 1067195675 /nfs/dbraw/zinc/19/56/75/1067195675.db2.gz DRTLAVPTRNHVSY-UHFFFAOYSA-N 0 0 488.583 4.835 20 0 JJADRN CC(C)Cn1c(SCC(=O)NC2=NC[C@H](C)S2)nnc1-c1ccc(Cl)cc1Cl ZINC001451878620 1067196013 /nfs/dbraw/zinc/19/60/13/1067196013.db2.gz KUFIVPLCQPGXGD-NSHDSACASA-N 0 0 458.440 4.608 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1CCc1cc2ccccc2s1 ZINC001545844287 1067196188 /nfs/dbraw/zinc/19/61/88/1067196188.db2.gz ZCZHTXBGKFBXFW-UHFFFAOYSA-N 0 0 455.628 4.964 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545844248 1067196272 /nfs/dbraw/zinc/19/62/72/1067196272.db2.gz XXCZNMCEOWKHBE-UHFFFAOYSA-N 0 0 452.603 4.539 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)OC(C)(C)C)s2)cc1 ZINC001451880639 1067196532 /nfs/dbraw/zinc/19/65/32/1067196532.db2.gz JSKREJZWPWAAMQ-MGPUTAFESA-N 0 0 458.580 4.591 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)OC(C)(C)C)s2)cc1 ZINC001451880655 1067196577 /nfs/dbraw/zinc/19/65/77/1067196577.db2.gz JSKREJZWPWAAMQ-QRWLVFNGSA-N 0 0 458.580 4.591 20 0 JJADRN COC(=O)c1nc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)sc1C1CC1 ZINC001458917184 1067196499 /nfs/dbraw/zinc/19/64/99/1067196499.db2.gz QRGDCLTUIKUWDP-UHFFFAOYSA-N 0 0 453.495 4.759 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC001458916908 1067196510 /nfs/dbraw/zinc/19/65/10/1067196510.db2.gz XEXPOXFSOFTJCV-IBGZPJMESA-N 0 0 452.542 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001451896351 1067196604 /nfs/dbraw/zinc/19/66/04/1067196604.db2.gz FKASLRXGAKIAAS-WOJBJXKFSA-N 0 0 477.399 4.933 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)n1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001545844683 1067196735 /nfs/dbraw/zinc/19/67/35/1067196735.db2.gz LVXVTZOPXXHCCW-INIZCTEOSA-N 0 0 450.505 4.945 20 0 JJADRN C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2cccc(OCc3ccc(F)cc3F)c2)C1=O ZINC001458919854 1067197145 /nfs/dbraw/zinc/19/71/45/1067197145.db2.gz NVNCMYVELSKDDF-DEOSSOPVSA-N 0 0 458.411 4.789 20 0 JJADRN COC(=O)c1ccc(C)c(OCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)c1 ZINC001458919713 1067197154 /nfs/dbraw/zinc/19/71/54/1067197154.db2.gz NBBVJTGLVFGNSW-UHFFFAOYSA-N 0 0 455.514 4.960 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)NCc3ccc(S(C)(=O)=O)s3)c2cc1C ZINC001458919701 1067197201 /nfs/dbraw/zinc/19/72/01/1067197201.db2.gz DLCIDPSDDDMBQQ-UHFFFAOYSA-N 0 0 450.585 4.914 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)COc3ccc(Cl)c(Cl)c3)c2)n1 ZINC001458919190 1067197216 /nfs/dbraw/zinc/19/72/16/1067197216.db2.gz AAXFGGAPRROFLT-UHFFFAOYSA-N 0 0 451.331 4.599 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001451903173 1067197338 /nfs/dbraw/zinc/19/73/38/1067197338.db2.gz VVQLWJQNIFPQHS-IAGOWNOFSA-N 0 0 464.404 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(Cl)s2)n1C[C@@H]1CCOC[C@H]1C ZINC001545845561 1067197330 /nfs/dbraw/zinc/19/73/30/1067197330.db2.gz KLTGQZLVUBGJJS-CVEARBPZSA-N 0 0 468.067 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1CC1CC(F)(F)C1 ZINC001545845429 1067197376 /nfs/dbraw/zinc/19/73/76/1067197376.db2.gz GOXBCKFHVCKDLW-UHFFFAOYSA-N 0 0 467.511 4.689 20 0 JJADRN CC(C)c1ccc(SCC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001458920539 1067197752 /nfs/dbraw/zinc/19/77/52/1067197752.db2.gz HYVPOMLYRCCJQY-FQEVSTJZSA-N 0 0 452.498 4.500 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545845617 1067197873 /nfs/dbraw/zinc/19/78/73/1067197873.db2.gz MJGICJYPDZABMA-IBGZPJMESA-N 0 0 483.686 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccccc2C)n1Cc1cc(C(C)(C)C)no1 ZINC001545845825 1067197920 /nfs/dbraw/zinc/19/79/20/1067197920.db2.gz TWLBVFYVTRRCCD-UHFFFAOYSA-N 0 0 466.630 4.865 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@@H]1OCCC1(C)C ZINC001545845981 1067198627 /nfs/dbraw/zinc/19/86/27/1067198627.db2.gz XSUCHAMRFFNPGY-QFIPXVFZSA-N 0 0 466.630 4.519 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC001451927709 1067198757 /nfs/dbraw/zinc/19/87/57/1067198757.db2.gz XLRJPNIKBMZHIV-KNQAVFIVSA-N 0 0 454.368 4.812 20 0 JJADRN O=C(c1cc(Br)c(F)cc1F)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC001451923492 1067198813 /nfs/dbraw/zinc/19/88/13/1067198813.db2.gz QSJJEYQZVNKWQG-GOSISDBHSA-N 0 0 452.686 4.892 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)c1 ZINC001451918881 1067198822 /nfs/dbraw/zinc/19/88/22/1067198822.db2.gz RGASQGXFDNPMQL-AREMUKBSSA-N 0 0 451.567 4.653 20 0 JJADRN Cc1sc2nc(SC[C@@H](O)c3ccc(Cl)cc3)n(Cc3ccccn3)c(=O)c2c1C ZINC001458925284 1067198824 /nfs/dbraw/zinc/19/88/24/1067198824.db2.gz UHDKCKUFMLJPOL-GOSISDBHSA-N 0 0 458.008 4.997 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)Cn2cnc3c(Br)cccc3c2=O)C(C)C)cc1 ZINC001458923538 1067198855 /nfs/dbraw/zinc/19/88/55/1067198855.db2.gz RNAMBFJFEOQDMI-NRFANRHFSA-N 0 0 456.384 4.796 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC001458924661 1067198911 /nfs/dbraw/zinc/19/89/11/1067198911.db2.gz NRIUFVFNXZRBOB-UHFFFAOYSA-N 0 0 455.125 4.579 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1(c2ccccc2OC)CCC1 ZINC001545846918 1067199175 /nfs/dbraw/zinc/19/91/75/1067199175.db2.gz FWIDMJUDUFQZLP-UHFFFAOYSA-N 0 0 497.684 4.721 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545846913 1067199384 /nfs/dbraw/zinc/19/93/84/1067199384.db2.gz FTGBAIRSEOPJJR-KRWDZBQOSA-N 0 0 461.676 4.531 20 0 JJADRN CCn1cc(CC(=O)N(CCC(=O)OC)Cc2cccc(Br)c2)c2ccccc21 ZINC001458927047 1067199355 /nfs/dbraw/zinc/19/93/55/1067199355.db2.gz BEHHKKBAIVWZLD-UHFFFAOYSA-N 0 0 457.368 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1ccc(C)c(OC)c1 ZINC001545848405 1067199992 /nfs/dbraw/zinc/19/99/92/1067199992.db2.gz AJKLUJPUGPSXDB-VLCRHTCISA-N 0 0 453.631 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCc1ccc(N(C)C)cc1 ZINC001545848425 1067200033 /nfs/dbraw/zinc/20/00/33/1067200033.db2.gz ASCDIKDHESKXRD-WDJPJFJCSA-N 0 0 466.674 4.520 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451943285 1067200024 /nfs/dbraw/zinc/20/00/24/1067200024.db2.gz IEUJCVJUCGOHLM-LEWJYISDSA-N 0 0 453.583 4.856 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001458929724 1067200126 /nfs/dbraw/zinc/20/01/26/1067200126.db2.gz MKIKISJWORQRAP-QAPCUYQASA-N 0 0 455.967 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1Cc1ccc(OC2CCCC2)nc1 ZINC001545848701 1067200512 /nfs/dbraw/zinc/20/05/12/1067200512.db2.gz DYQFFXUWIGUQRK-RXVVDRJESA-N 0 0 468.646 4.586 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451953496 1067200653 /nfs/dbraw/zinc/20/06/53/1067200653.db2.gz UZSOLKZVGAVASI-RCBQFDQVSA-N 0 0 457.434 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001545848849 1067201024 /nfs/dbraw/zinc/20/10/24/1067201024.db2.gz GZKXRZDVWXKKME-RTBURBONSA-N 0 0 483.657 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1cc(COC(C)(C)C)on1 ZINC001545848747 1067201051 /nfs/dbraw/zinc/20/10/51/1067201051.db2.gz FZMLPZOMZCDJRU-MTNREXPMSA-N 0 0 486.661 4.563 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)c1ccc(Br)s1 ZINC001458933218 1067201076 /nfs/dbraw/zinc/20/10/76/1067201076.db2.gz UKPPGVYRTLHYFI-UHFFFAOYSA-N 0 0 451.567 4.768 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc(Br)c1F ZINC001458933136 1067201160 /nfs/dbraw/zinc/20/11/60/1067201160.db2.gz QYENTIKXEAUIDO-UHFFFAOYSA-N 0 0 455.589 4.694 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC(=O)C1CCC(F)(F)CC1 ZINC001451962513 1067201199 /nfs/dbraw/zinc/20/11/99/1067201199.db2.gz RMSMLOFGQVZTED-UHFFFAOYSA-N 0 0 455.480 4.732 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC(C)C)C1 ZINC001546104833 1067201560 /nfs/dbraw/zinc/20/15/60/1067201560.db2.gz KRALQBZIURMNEC-UHFFFAOYSA-N 0 0 492.462 4.647 20 0 JJADRN COc1cc(NC(=O)[C@H](C)OCCc2ccccc2)c(Br)cc1Br ZINC001458935136 1067201731 /nfs/dbraw/zinc/20/17/31/1067201731.db2.gz UMUZBMLLSVSXBH-LBPRGKRZSA-N 0 0 457.162 4.807 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545848884 1067201623 /nfs/dbraw/zinc/20/16/23/1067201623.db2.gz HPIYPRVFGVEDSB-HZPDHXFCSA-N 0 0 481.563 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001545849082 1067202114 /nfs/dbraw/zinc/20/21/14/1067202114.db2.gz JYLMZBNMQBFMLD-IYBDPMFKSA-N 0 0 450.002 4.714 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545848979 1067202120 /nfs/dbraw/zinc/20/21/20/1067202120.db2.gz IODVZZQLMWKISA-WIYYLYMNSA-N 0 0 468.646 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1C[C@@H](C)SC ZINC001545848984 1067202232 /nfs/dbraw/zinc/20/22/32/1067202232.db2.gz IOVQFYSHUOGDQX-LZJOCLMNSA-N 0 0 459.660 4.544 20 0 JJADRN COc1ccccc1C(=O)c1c2c(sc1NC(=O)CSc1ncc(C)cn1)CCCC2 ZINC001458937278 1067202854 /nfs/dbraw/zinc/20/28/54/1067202854.db2.gz WTVFIEAAROAACT-UHFFFAOYSA-N 0 0 453.589 4.696 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1c(F)cc(F)c(F)c1F ZINC001545849442 1067203261 /nfs/dbraw/zinc/20/32/61/1067203261.db2.gz OPSGQWAGIFVNKH-ZUEVXXBESA-N 0 0 481.538 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001545849536 1067203624 /nfs/dbraw/zinc/20/36/24/1067203624.db2.gz PXKSBFQSACRTRI-IRXDYDNUSA-N 0 0 460.692 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001545849532 1067203667 /nfs/dbraw/zinc/20/36/67/1067203667.db2.gz PVZBYAFQEWPUOD-IAGOWNOFSA-N 0 0 476.463 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1CCc1c(C)noc1C ZINC001545849652 1067203678 /nfs/dbraw/zinc/20/36/78/1067203678.db2.gz RYXIVBPWFXULLL-OSPHWJPCSA-N 0 0 494.640 4.640 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1CCc1c(C)noc1C ZINC001545849650 1067203762 /nfs/dbraw/zinc/20/37/62/1067203762.db2.gz RYXIVBPWFXULLL-BXKMTCNYSA-N 0 0 494.640 4.640 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccccc1OCC1CC1 ZINC001545849746 1067204105 /nfs/dbraw/zinc/20/41/05/1067204105.db2.gz TZZXBBYUJJJSSG-RTBURBONSA-N 0 0 453.631 4.516 20 0 JJADRN CCCc1c(NC(=O)COc2ccc(Br)cc2F)cnn1-c1ccc(F)cc1 ZINC001458945328 1067204297 /nfs/dbraw/zinc/20/42/97/1067204297.db2.gz JUNUIOPGNTVOSI-UHFFFAOYSA-N 0 0 450.283 4.883 20 0 JJADRN COc1cccc(-c2cc(C(=O)N3CC4(C[C@@H]3C)CCN(C(=O)OC(C)(C)C)CC4)on2)c1 ZINC001452036659 1067204680 /nfs/dbraw/zinc/20/46/80/1067204680.db2.gz VYTCAAOZBDZJGA-KRWDZBQOSA-N 0 0 455.555 4.602 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c2cnn(C(C)C)c2n1 ZINC001452044254 1067204701 /nfs/dbraw/zinc/20/47/01/1067204701.db2.gz CIBXGNIYVQIIIA-CYBMUJFWSA-N 0 0 458.444 4.880 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545850011 1067204661 /nfs/dbraw/zinc/20/46/61/1067204661.db2.gz YAVVIESPVJIFRM-AVRDEDQJSA-N 0 0 492.624 4.715 20 0 JJADRN CCCc1c(NC(=O)Cc2cccc(I)c2)cnn1-c1ccccc1C ZINC001458946810 1067204771 /nfs/dbraw/zinc/20/47/71/1067204771.db2.gz QWOGHWRFUWTGDJ-UHFFFAOYSA-N 0 0 459.331 4.919 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC1(c2ccc(OC)cc2)CCC1 ZINC001545849977 1067204900 /nfs/dbraw/zinc/20/49/00/1067204900.db2.gz XKQLDVGHEZPFFE-PMACEKPBSA-N 0 0 467.658 4.809 20 0 JJADRN CC(C)Cc1ccc([C@@]2(C)NC(=O)N(Cc3noc(-c4c(F)cccc4Cl)n3)C2=O)cc1 ZINC001458947114 1067205202 /nfs/dbraw/zinc/20/52/02/1067205202.db2.gz WTSJHZLDCDMHGU-HSZRJFAPSA-N 0 0 456.905 4.695 20 0 JJADRN Cc1cc2n[nH]c(NC(=O)[C@@H](Sc3ccc(F)c(Cl)c3)c3ccccc3)c2c(=O)n1C ZINC001452045533 1067205318 /nfs/dbraw/zinc/20/53/18/1067205318.db2.gz VOMCRXILDICUJF-IBGZPJMESA-N 0 0 456.930 4.835 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2CCOCC2)C1 ZINC001546105020 1067205374 /nfs/dbraw/zinc/20/53/74/1067205374.db2.gz RFERTQJLMMIMLS-UHFFFAOYSA-N 0 0 472.630 4.804 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(OC)c2)C1 ZINC001546105029 1067205386 /nfs/dbraw/zinc/20/53/86/1067205386.db2.gz RNDXCYIWERWQFN-AREMUKBSSA-N 0 0 456.631 4.587 20 0 JJADRN Cc1cc(Br)c(NC(=O)Cn2ccc(=O)c3sccc32)c(Br)c1 ZINC001458950027 1067205931 /nfs/dbraw/zinc/20/59/31/1067205931.db2.gz NUZNXOBDWGJDIT-UHFFFAOYSA-N 0 0 456.159 4.535 20 0 JJADRN CN(CC(=O)OCc1cc(Cl)c(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001458949557 1067205981 /nfs/dbraw/zinc/20/59/81/1067205981.db2.gz MIFYXJYJLXSFLJ-UHFFFAOYSA-N 0 0 457.162 4.664 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)C1(C)C ZINC001452080943 1067205976 /nfs/dbraw/zinc/20/59/76/1067205976.db2.gz ODIZZUSVLIEORC-WVFSIPRWSA-N 0 0 456.587 4.529 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC001452075474 1067205987 /nfs/dbraw/zinc/20/59/87/1067205987.db2.gz GFNYXBRIADMERJ-KKSFZXQISA-N 0 0 456.999 4.636 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)NC1(c2ccccc2OC)CC1)NC(=O)OC(C)(C)C ZINC001452092184 1067206418 /nfs/dbraw/zinc/20/64/18/1067206418.db2.gz BZXJOKUAMQNZPW-FQEVSTJZSA-N 0 0 454.567 4.855 20 0 JJADRN O=C(OCc1ccc(OCC2CC2)cc1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001458953325 1067206996 /nfs/dbraw/zinc/20/69/96/1067206996.db2.gz ZVNBJUFTXQTRNT-UHFFFAOYSA-N 0 0 453.922 4.727 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001452095872 1067207127 /nfs/dbraw/zinc/20/71/27/1067207127.db2.gz UCMWUNAUXWZIJW-UHFFFAOYSA-N 0 0 455.640 4.615 20 0 JJADRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)c3ccc(C(=O)OC(C)(C)C)nc3)c12 ZINC001458954235 1067207400 /nfs/dbraw/zinc/20/74/00/1067207400.db2.gz BFRUYXFDUFSFRE-UHFFFAOYSA-N 0 0 457.534 4.948 20 0 JJADRN CCn1ccc(CN(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC001458954647 1067207905 /nfs/dbraw/zinc/20/79/05/1067207905.db2.gz QZFGFYOMPJVKLV-UHFFFAOYSA-N 0 0 455.971 4.753 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C(=O)OC)oc1C)C1CC1 ZINC001458954714 1067207915 /nfs/dbraw/zinc/20/79/15/1067207915.db2.gz CAGSLHRMPKMYLB-GOSISDBHSA-N 0 0 454.306 4.590 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001452130951 1067208393 /nfs/dbraw/zinc/20/83/93/1067208393.db2.gz KFRUEIJZYPWPMB-APAFKAMOSA-N 0 0 455.640 4.561 20 0 JJADRN CCCCc1nnc(SCc2csc(-c3cc(Br)ccc3OC)n2)n1N ZINC001458956633 1067208578 /nfs/dbraw/zinc/20/85/78/1067208578.db2.gz IDMGHPODGKTVDD-UHFFFAOYSA-N 0 0 454.419 4.521 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)OCc3ccc(OCC4CC4)cc3)CC2=O)ccc1Br ZINC001458956792 1067208588 /nfs/dbraw/zinc/20/85/88/1067208588.db2.gz SRNJOVJCPOAUHC-SFHVURJKSA-N 0 0 458.352 4.643 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001452139101 1067208872 /nfs/dbraw/zinc/20/88/72/1067208872.db2.gz RRCAWQABRJUPJA-XZOQPEGZSA-N 0 0 454.636 4.762 20 0 JJADRN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCC(c2ncco2)CC1 ZINC001452142887 1067209484 /nfs/dbraw/zinc/20/94/84/1067209484.db2.gz ZISBVYWHRWMYIO-UHFFFAOYSA-N 0 0 458.362 4.918 20 0 JJADRN COC(=O)[C@]1(C)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001458960304 1067209514 /nfs/dbraw/zinc/20/95/14/1067209514.db2.gz FAYNBULNJMCTFA-QHCPKHFHSA-N 0 0 453.336 4.832 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC001458959889 1067209597 /nfs/dbraw/zinc/20/95/97/1067209597.db2.gz PPZLYKQVYNEDFI-YUNKPMOVSA-N 0 0 459.320 4.765 20 0 JJADRN C[C@H](CN(C)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458960034 1067209612 /nfs/dbraw/zinc/20/96/12/1067209612.db2.gz RCCWCGFIUVXCIK-GFCCVEGCSA-N 0 0 456.757 4.716 20 0 JJADRN Cc1cc(C(=O)CSC[C@H](C)CO)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC001458961643 1067209901 /nfs/dbraw/zinc/20/99/01/1067209901.db2.gz MQCNYXQZTYHBEV-GFCCVEGCSA-N 0 0 451.013 4.901 20 0 JJADRN O=C(COc1nc(Cc2ccc(F)cc2)no1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001458962268 1067210016 /nfs/dbraw/zinc/21/00/16/1067210016.db2.gz UFBGEEUJTVTLIC-QHCPKHFHSA-N 0 0 451.885 4.738 20 0 JJADRN C[C@H](CN(C)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Oc1ccc(Cl)c(Cl)c1 ZINC001458963737 1067210465 /nfs/dbraw/zinc/21/04/65/1067210465.db2.gz XJUBBHGPSYTEFC-ASSNKEHSSA-N 0 0 451.375 4.848 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)CSCc1cccnc1)C1CC1 ZINC001458964216 1067211037 /nfs/dbraw/zinc/21/10/37/1067211037.db2.gz RCCPBTGMPMDRQK-FQEVSTJZSA-N 0 0 453.391 4.917 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N(C)CCOc3ccc(C(F)(F)F)cc3)n2)ccc1F ZINC001458964750 1067211490 /nfs/dbraw/zinc/21/14/90/1067211490.db2.gz ZWSYFWZALFDLHN-UHFFFAOYSA-N 0 0 451.420 4.673 20 0 JJADRN COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 ZINC001458964809 1067211586 /nfs/dbraw/zinc/21/15/86/1067211586.db2.gz LTZAHQPNZQKAIK-FQEVSTJZSA-N 0 0 452.370 4.566 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(CCc2ccccc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC001458964973 1067211636 /nfs/dbraw/zinc/21/16/36/1067211636.db2.gz VPNXALNODWWEOQ-AWEZNQCLSA-N 0 0 451.470 4.723 20 0 JJADRN Cc1ccc(CN(CC2CC2)C(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)cn1 ZINC001452174251 1067211979 /nfs/dbraw/zinc/21/19/79/1067211979.db2.gz FJEHOLAVUBDLSM-UHFFFAOYSA-N 0 0 453.583 4.688 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(C3CCC3)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001458966600 1067212456 /nfs/dbraw/zinc/21/24/56/1067212456.db2.gz MHUHXFBIYKTZEO-UHFFFAOYSA-N 0 0 454.636 4.922 20 0 JJADRN O=C(Nc1ccsc1C(=O)N1CC[C@@H](c2cccnc2)C1)c1ccc(Br)cc1 ZINC001452179768 1067212629 /nfs/dbraw/zinc/21/26/29/1067212629.db2.gz LUOSFIZHOCQZPA-MRXNPFEDSA-N 0 0 456.365 4.788 20 0 JJADRN O=C(N[C@H](CCO)c1ccccc1F)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001452193641 1067213849 /nfs/dbraw/zinc/21/38/49/1067213849.db2.gz YIPMPBQVTWQBFW-GOSISDBHSA-N 0 0 455.839 4.596 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1SC ZINC001452207045 1067214131 /nfs/dbraw/zinc/21/41/31/1067214131.db2.gz UIBRZWSBIYHXNF-LGDWWMFGSA-N 0 0 482.646 4.577 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001452222004 1067214273 /nfs/dbraw/zinc/21/42/73/1067214273.db2.gz GOADWXJRGCULDE-KBPBESRZSA-N 0 0 454.493 4.621 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc(Cl)c1OCC(C)C ZINC001458973196 1067214350 /nfs/dbraw/zinc/21/43/50/1067214350.db2.gz NHKOUAMILRFNGU-UHFFFAOYSA-N 0 0 454.958 4.764 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001546036787 1067214381 /nfs/dbraw/zinc/21/43/81/1067214381.db2.gz JBNLPVBNSGFOLO-LJQANCHMSA-N 0 0 471.646 4.504 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001458975015 1067214691 /nfs/dbraw/zinc/21/46/91/1067214691.db2.gz IJZOJOMKBNSXQJ-QFIPXVFZSA-N 0 0 457.954 4.578 20 0 JJADRN COC(=O)/C=C/c1ccc(OCCSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC001458975394 1067214826 /nfs/dbraw/zinc/21/48/26/1067214826.db2.gz CYWROATYNYKUED-NTCAYCPXSA-N 0 0 458.543 4.687 20 0 JJADRN C[C@H](C[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001452225015 1067214742 /nfs/dbraw/zinc/21/47/42/1067214742.db2.gz HTSYNGWBDPNRAK-DNVFCKCGSA-N 0 0 450.583 4.802 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452235875 1067215120 /nfs/dbraw/zinc/21/51/20/1067215120.db2.gz HPZNDLNCGZFLTC-QFBILLFUSA-N 0 0 452.555 4.712 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001546036930 1067215186 /nfs/dbraw/zinc/21/51/86/1067215186.db2.gz NTXDGVMSDXNMMT-HXUWFJFHSA-N 0 0 461.582 4.805 20 0 JJADRN Cc1nc2cc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001452232242 1067215292 /nfs/dbraw/zinc/21/52/92/1067215292.db2.gz KUGIDMLCKBOUQH-HZPDHXFCSA-N 0 0 456.612 4.876 20 0 JJADRN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CC(C)(C)O1 ZINC001458976699 1067215298 /nfs/dbraw/zinc/21/52/98/1067215298.db2.gz IEQGULNUDJFKJE-MRXNPFEDSA-N 0 0 456.999 4.706 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001546037190 1067215719 /nfs/dbraw/zinc/21/57/19/1067215719.db2.gz WNQCVHAUWWWAON-UWJYYQICSA-N 0 0 458.603 4.587 20 0 JJADRN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001452246655 1067215752 /nfs/dbraw/zinc/21/57/52/1067215752.db2.gz ACCNQJXCNDZGNI-JOCHJYFZSA-N 0 0 454.368 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CSc2nnc(-c3ccccn3)n2Cc2ccco2)CC1 ZINC001458977688 1067215649 /nfs/dbraw/zinc/21/56/49/1067215649.db2.gz KYXGSZIXTLLATQ-UHFFFAOYSA-N 0 0 455.584 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N(Cc3ccccc3)[C@@H](CO)C3CCC3)c2C1 ZINC001452254996 1067216222 /nfs/dbraw/zinc/21/62/22/1067216222.db2.gz XGPAABNUGCFHEO-DEOSSOPVSA-N 0 0 450.579 4.741 20 0 JJADRN COc1ccc(OC)c([C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1 ZINC001458978622 1067216349 /nfs/dbraw/zinc/21/63/49/1067216349.db2.gz NSEUZRZQNBKXQG-FQEVSTJZSA-N 0 0 455.511 4.568 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1scc(Br)c1Br ZINC001458979003 1067216381 /nfs/dbraw/zinc/21/63/81/1067216381.db2.gz VRYRTWLBEJYUNE-NSHDSACASA-N 0 0 453.196 4.515 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001452259365 1067216692 /nfs/dbraw/zinc/21/66/92/1067216692.db2.gz XERFAWXJUMVCOM-CZUORRHYSA-N 0 0 452.382 4.927 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)NCc1ccccc1F)C(C)C ZINC001458980280 1067216746 /nfs/dbraw/zinc/21/67/46/1067216746.db2.gz TYOQOOWYYFPFGY-QFIPXVFZSA-N 0 0 456.587 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)C(C)(C)C1 ZINC001452263298 1067216818 /nfs/dbraw/zinc/21/68/18/1067216818.db2.gz AGWRIFPCSGSHKG-QFIPXVFZSA-N 0 0 456.558 4.914 20 0 JJADRN Cc1ccccc1C[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC001458981245 1067217075 /nfs/dbraw/zinc/21/70/75/1067217075.db2.gz XTHWFFGOQXYXFD-KRWDZBQOSA-N 0 0 452.605 4.796 20 0 JJADRN Cc1nc2[nH]c(SCC(=O)NCC3(c4ccccc4)CCCC3)nc2cc1Br ZINC001458981246 1067217143 /nfs/dbraw/zinc/21/71/43/1067217143.db2.gz KDTKFHFKOVWDKP-UHFFFAOYSA-N 0 0 459.413 4.749 20 0 JJADRN Cc1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001452265172 1067217193 /nfs/dbraw/zinc/21/71/93/1067217193.db2.gz DLMUKJWAOOQERI-VQTJNVASSA-N 0 0 458.396 4.884 20 0 JJADRN O=C1[C@H](Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CCN1CC(F)(F)F ZINC001458980903 1067217216 /nfs/dbraw/zinc/21/72/16/1067217216.db2.gz VXSPVFMWGVHYPC-MRXNPFEDSA-N 0 0 452.889 4.843 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452272915 1067217889 /nfs/dbraw/zinc/21/78/89/1067217889.db2.gz QBOHYYIBPMINNS-FNAHDJPLSA-N 0 0 472.626 4.654 20 0 JJADRN O=C(NOCc1ccc(C(F)(F)F)cc1)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC001546037390 1067217916 /nfs/dbraw/zinc/21/79/16/1067217916.db2.gz CNZVSLKGFBUFDA-UHFFFAOYSA-N 0 0 454.408 4.696 20 0 JJADRN COc1cccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC001458983068 1067218180 /nfs/dbraw/zinc/21/81/80/1067218180.db2.gz CSQWFFNREMUUCH-KRWDZBQOSA-N 0 0 451.596 4.651 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 ZINC001458983028 1067218223 /nfs/dbraw/zinc/21/82/23/1067218223.db2.gz CSTVFNZXQVNRCJ-QGZVFWFLSA-N 0 0 450.539 4.831 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(NCCc3ccccn3)cc2)C[C@H]1c1ccccc1 ZINC001452276159 1067218276 /nfs/dbraw/zinc/21/82/76/1067218276.db2.gz KIPBVDLJRLBHBL-IZZNHLLZSA-N 0 0 471.601 4.934 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)c2ccc(C3SCCS3)cc2)C1)NCc1ccc(F)cc1 ZINC001452277361 1067218334 /nfs/dbraw/zinc/21/83/34/1067218334.db2.gz MGNWLYFBTDTZHT-GOSISDBHSA-N 0 0 458.624 4.863 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)C1)NCc1ccc(F)cc1 ZINC001452287057 1067218784 /nfs/dbraw/zinc/21/87/84/1067218784.db2.gz HLXCYYKXBFHTRV-RCZVLFRGSA-N 0 0 451.586 4.515 20 0 JJADRN CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1cccnc1 ZINC001458983799 1067218774 /nfs/dbraw/zinc/21/87/74/1067218774.db2.gz FZAYSISHROKHPT-UHFFFAOYSA-N 0 0 453.587 4.953 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)C1)NCc1ccc(F)cc1 ZINC001452287052 1067218876 /nfs/dbraw/zinc/21/88/76/1067218876.db2.gz HLXCYYKXBFHTRV-DHLKQENFSA-N 0 0 451.586 4.515 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1cc(F)cc(I)c1 ZINC001458984976 1067219102 /nfs/dbraw/zinc/21/91/02/1067219102.db2.gz ZCVUXJJLUCOXDO-LLVKDONJSA-N 0 0 453.255 4.674 20 0 JJADRN O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1Cc1ccc(OC(F)F)cc1 ZINC001458984184 1067219252 /nfs/dbraw/zinc/21/92/52/1067219252.db2.gz YKXSCSFBUDEQMP-UHFFFAOYSA-N 0 0 451.260 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001452308656 1067219375 /nfs/dbraw/zinc/21/93/75/1067219375.db2.gz ROWPYRZAPJEKFE-CYBMUJFWSA-N 0 0 452.857 4.593 20 0 JJADRN CCOc1ccc(-n2c(S[C@H](Cc3ccccc3)C(N)=O)nnc2-c2cccs2)cc1 ZINC001458985620 1067219551 /nfs/dbraw/zinc/21/95/51/1067219551.db2.gz PCCPJFJMYSKZSH-HXUWFJFHSA-N 0 0 450.589 4.583 20 0 JJADRN CCC[C@H](C)c1cc(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC001452328402 1067219908 /nfs/dbraw/zinc/21/99/08/1067219908.db2.gz HXPNUWCLSOXCRV-IBGZPJMESA-N 0 0 454.596 4.846 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001546104928 1067220170 /nfs/dbraw/zinc/22/01/70/1067220170.db2.gz NXWMDSMODFYPCR-AREMUKBSSA-N 0 0 472.678 4.544 20 0 JJADRN CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC001452335983 1067220186 /nfs/dbraw/zinc/22/01/86/1067220186.db2.gz XDFNRVQJFIAFSC-GOTSBHOMSA-N 0 0 453.579 4.524 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC001452380528 1067220832 /nfs/dbraw/zinc/22/08/32/1067220832.db2.gz BRYPHTDRAFFAMF-MEMLXQNLSA-N 0 0 450.579 4.656 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2cn(C)nc2-c2ccc(Cl)s2)c1 ZINC001458987991 1067221141 /nfs/dbraw/zinc/22/11/41/1067221141.db2.gz FTXOCNHGMNYLBI-UHFFFAOYSA-N 0 0 454.777 4.845 20 0 JJADRN COC(=O)c1cc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)c(C)[nH]1 ZINC001458987787 1067221213 /nfs/dbraw/zinc/22/12/13/1067221213.db2.gz ZHAOKKVWYHBTPP-UHFFFAOYSA-N 0 0 452.561 4.702 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC001452401019 1067221329 /nfs/dbraw/zinc/22/13/29/1067221329.db2.gz QCBRWGUADLSAHB-UHFFFAOYSA-N 0 0 455.308 4.643 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@@H]2CCC3(CCCCC3)O2)ccc1OCc1c(C)noc1C ZINC001458989917 1067221700 /nfs/dbraw/zinc/22/17/00/1067221700.db2.gz OKQMYWFNCAFUJV-FLJMFPIGSA-N 0 0 454.567 4.890 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001546038206 1067221897 /nfs/dbraw/zinc/22/18/97/1067221897.db2.gz FVALPFMQOJZGJO-UHFFFAOYSA-N 0 0 469.655 4.578 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncco1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001452401821 1067221973 /nfs/dbraw/zinc/22/19/73/1067221973.db2.gz IOLLNSMCLWQLSV-UXHICEINSA-N 0 0 458.345 4.686 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)c4ccc(Br)cc4)n3N)n[nH]2)cc1 ZINC001458992791 1067222438 /nfs/dbraw/zinc/22/24/38/1067222438.db2.gz WNWWKYBCODJBPS-ZDUSSCGKSA-N 0 0 455.385 4.973 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001452421773 1067222875 /nfs/dbraw/zinc/22/28/75/1067222875.db2.gz RTYFOAAUDQUZSA-PNDHZVEESA-N 0 0 456.411 4.619 20 0 JJADRN CC(C)CCc1cc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)n[nH]1 ZINC001452416064 1067222921 /nfs/dbraw/zinc/22/29/21/1067222921.db2.gz NEEPMSFNFNVEHQ-UHFFFAOYSA-N 0 0 452.368 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC001452424802 1067223185 /nfs/dbraw/zinc/22/31/85/1067223185.db2.gz DVGWBIRAWMIZDY-ZRBLBEILSA-N 0 0 456.627 4.680 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001458994412 1067223241 /nfs/dbraw/zinc/22/32/41/1067223241.db2.gz FJZNPKHZDOUOEO-UHFFFAOYSA-N 0 0 450.288 4.961 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001458994527 1067223292 /nfs/dbraw/zinc/22/32/92/1067223292.db2.gz FXEFQGAJIDJQFY-INIZCTEOSA-N 0 0 457.246 4.838 20 0 JJADRN C[C@](CO)(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(Br)cc1 ZINC001452427177 1067223408 /nfs/dbraw/zinc/22/34/08/1067223408.db2.gz YBYQNZKCRIJWAZ-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)c1cc2ccccc2o1 ZINC001458994317 1067223331 /nfs/dbraw/zinc/22/33/31/1067223331.db2.gz OQUKVXOIKDOXDF-CYBMUJFWSA-N 0 0 457.271 4.714 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOc3cccc(Br)c3C2)c1)c1cccs1 ZINC001452434884 1067223758 /nfs/dbraw/zinc/22/37/58/1067223758.db2.gz GBZIAAXKDBNJAY-UHFFFAOYSA-N 0 0 457.349 4.798 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](O)[C@@H]3CCc3ccccc3)s2)c(F)c1 ZINC001452445208 1067224352 /nfs/dbraw/zinc/22/43/52/1067224352.db2.gz UHGZOWAARKDALA-VXKWHMMOSA-N 0 0 454.567 4.865 20 0 JJADRN CCOc1ccc(-n2c(S[C@@H](C)C(=O)N3CCCCCC3)nnc2-c2ccccn2)cc1 ZINC001458997483 1067224882 /nfs/dbraw/zinc/22/48/82/1067224882.db2.gz PDXZVZJFZAOJRW-SFHVURJKSA-N 0 0 451.596 4.611 20 0 JJADRN O=C(Oc1cc(Cl)c(Br)cc1Cl)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001458998191 1067225365 /nfs/dbraw/zinc/22/53/65/1067225365.db2.gz UGWVGBACZQTFJM-UHFFFAOYSA-N 0 0 458.070 4.660 20 0 JJADRN CCCc1nc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)nn1-c1ccccc1F ZINC001452456652 1067225402 /nfs/dbraw/zinc/22/54/02/1067225402.db2.gz KWOOMRKWDMSSIH-HSZRJFAPSA-N 0 0 450.558 4.773 20 0 JJADRN COC(=O)C1(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)CCOCC1 ZINC001458999188 1067225779 /nfs/dbraw/zinc/22/57/79/1067225779.db2.gz LHIJFZJTZHGQEE-UHFFFAOYSA-N 0 0 457.983 4.958 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001452456892 1067225808 /nfs/dbraw/zinc/22/58/08/1067225808.db2.gz MIWLHGIOIWJXII-NRFANRHFSA-N 0 0 456.384 4.750 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001452457264 1067225859 /nfs/dbraw/zinc/22/58/59/1067225859.db2.gz PEGNQOMBHQYKHM-AREMUKBSSA-N 0 0 450.579 4.531 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC001452462636 1067225888 /nfs/dbraw/zinc/22/58/88/1067225888.db2.gz ZLBPBOOUYJGGQX-XMMPIXPASA-N 0 0 453.579 4.821 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1ccccc1SCc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC001452474932 1067226138 /nfs/dbraw/zinc/22/61/38/1067226138.db2.gz IOQQODYOQHERJC-HXUWFJFHSA-N 0 0 453.608 4.970 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)C[C@H]1c1ccc(O)cc1 ZINC001452467717 1067226187 /nfs/dbraw/zinc/22/61/87/1067226187.db2.gz PSNDROCRZQIUCD-RBUKOAKNSA-N 0 0 473.497 4.751 20 0 JJADRN Cc1c(NC(=O)c2ccc(F)cc2Br)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001459000572 1067226320 /nfs/dbraw/zinc/22/63/20/1067226320.db2.gz QLVHTTADAYEEFT-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C1 ZINC001452484522 1067226896 /nfs/dbraw/zinc/22/68/96/1067226896.db2.gz PGTPUCNZXRIXCZ-OXQOHEQNSA-N 0 0 458.580 4.831 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C)C(=O)c3cc(F)ccc3F)nnc2-c2ccccn2)cc1 ZINC001459003331 1067227097 /nfs/dbraw/zinc/22/70/97/1067227097.db2.gz WMWDQMBTZREOGA-AWEZNQCLSA-N 0 0 452.486 4.980 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001452488710 1067227099 /nfs/dbraw/zinc/22/70/99/1067227099.db2.gz UGQJVWZUEPRQGT-KRWDZBQOSA-N 0 0 453.539 4.904 20 0 JJADRN CC(C)C[C@H](CNC(=O)c1c2c(sc1-n1cccc1)CCCC2)CC(=O)O[C@H]1CCOC1 ZINC001452488021 1067227111 /nfs/dbraw/zinc/22/71/11/1067227111.db2.gz BOLFRBJRNFWULA-OALUTQOASA-N 0 0 458.624 4.532 20 0 JJADRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001452487594 1067227207 /nfs/dbraw/zinc/22/72/07/1067227207.db2.gz VVAQZELVQNSESY-BEFAXECRSA-N 0 0 450.304 4.605 20 0 JJADRN COc1cc2cc(C(=O)NC3(c4cccc(OC(F)(F)F)c4)CC3)[nH]c2c(OC)c1OC ZINC001452488222 1067227303 /nfs/dbraw/zinc/22/73/03/1067227303.db2.gz CKKAVHDVTJHHFK-UHFFFAOYSA-N 0 0 450.413 4.511 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452495240 1067228128 /nfs/dbraw/zinc/22/81/28/1067228128.db2.gz KGWGYWNUFQGFNV-IEWDOMPSSA-N 0 0 452.636 4.579 20 0 JJADRN C[C@@H](Sc1nnnn1-c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001459008956 1067228230 /nfs/dbraw/zinc/22/82/30/1067228230.db2.gz JMPHRQHSNQIWGL-CYBMUJFWSA-N 0 0 454.353 4.697 20 0 JJADRN COc1ccc(C)cc1[C@H](C)OC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001459012959 1067228805 /nfs/dbraw/zinc/22/88/05/1067228805.db2.gz JWXLFVAYJCOOPV-HNNXBMFYSA-N 0 0 455.370 4.624 20 0 JJADRN Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)[nH]c(=O)c1C ZINC001459014754 1067229190 /nfs/dbraw/zinc/22/91/90/1067229190.db2.gz ILUZMQGHGSAECK-UHFFFAOYSA-N 0 0 453.589 4.701 20 0 JJADRN COc1cc(-c2noc(CCC(=O)O[C@H](C)c3ccc(Cl)cn3)n2)cc(Cl)c1OC ZINC001459014352 1067229203 /nfs/dbraw/zinc/22/92/03/1067229203.db2.gz DIYXXUSJQBJKJD-LLVKDONJSA-N 0 0 452.294 4.693 20 0 JJADRN COC[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452499388 1067229495 /nfs/dbraw/zinc/22/94/95/1067229495.db2.gz RLUDESCACJVBEK-RBUKOAKNSA-N 0 0 452.595 4.729 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452499520 1067229560 /nfs/dbraw/zinc/22/95/60/1067229560.db2.gz WQTRIXLSSOYOES-UHFFFAOYSA-N 0 0 451.621 4.557 20 0 JJADRN Cc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)n1[C@H](C)c1ccccc1 ZINC001452499173 1067229585 /nfs/dbraw/zinc/22/95/85/1067229585.db2.gz ZBPHZFGMCZUMPG-DNVCBOLYSA-N 0 0 453.505 4.900 20 0 JJADRN CC(C)(CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C(F)(F)F ZINC001546105530 1067229687 /nfs/dbraw/zinc/22/96/87/1067229687.db2.gz LZKIKBNYLZEAAQ-UHFFFAOYSA-N 0 0 450.866 4.764 20 0 JJADRN Cn1cc(CCNC(=O)c2ccc(I)cc2F)c2ccc(Cl)cc21 ZINC001459019677 1067230257 /nfs/dbraw/zinc/23/02/57/1067230257.db2.gz BRCYASIQBBVLEF-UHFFFAOYSA-N 0 0 456.686 4.548 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001452514094 1067230434 /nfs/dbraw/zinc/23/04/34/1067230434.db2.gz LQRZRUPWLMTKSD-UHFFFAOYSA-N 0 0 457.596 4.774 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001452514526 1067230527 /nfs/dbraw/zinc/23/05/27/1067230527.db2.gz ITWGUXNHJGBFQR-UHFFFAOYSA-N 0 0 456.247 4.820 20 0 JJADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452513313 1067230531 /nfs/dbraw/zinc/23/05/31/1067230531.db2.gz GCZYMOOPIAWCTJ-NSHDSACASA-N 0 0 457.394 4.923 20 0 JJADRN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001452525355 1067231631 /nfs/dbraw/zinc/23/16/31/1067231631.db2.gz KMGUZMYNPGHWLS-OAHLLOKOSA-N 0 0 459.543 4.824 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001459026769 1067231742 /nfs/dbraw/zinc/23/17/42/1067231742.db2.gz AVWQCVAOYCABRI-OAHLLOKOSA-N 0 0 459.940 4.584 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1ccnc1[C@H](O)c1ccccc1 ZINC001459025712 1067231769 /nfs/dbraw/zinc/23/17/69/1067231769.db2.gz GMUDVDDWPYQVDJ-LJQANCHMSA-N 0 0 455.308 4.699 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459028144 1067232247 /nfs/dbraw/zinc/23/22/47/1067232247.db2.gz SAMOEJNANWMLTD-UHFFFAOYSA-N 0 0 459.917 4.543 20 0 JJADRN COC(=O)c1ccc(CNC(=O)Cc2coc3ccc4ccccc4c23)c(Br)c1 ZINC001459028698 1067232754 /nfs/dbraw/zinc/23/27/54/1067232754.db2.gz WVCQDVUZSKJCCK-UHFFFAOYSA-N 0 0 452.304 4.994 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001546040176 1067233083 /nfs/dbraw/zinc/23/30/83/1067233083.db2.gz YONICTWNQIBTDF-NRFANRHFSA-N 0 0 483.682 4.772 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001546040182 1067233251 /nfs/dbraw/zinc/23/32/51/1067233251.db2.gz YQSZETKQRFLFDD-NRFANRHFSA-N 0 0 499.700 4.744 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)NCc1nc2ccc(Br)cc2o1 ZINC001452551573 1067233640 /nfs/dbraw/zinc/23/36/40/1067233640.db2.gz HGMPRUQKIYGNCQ-UHFFFAOYSA-N 0 0 456.109 4.741 20 0 JJADRN Cc1nnc(SCC(=O)NCCOc2cccc(C(F)(F)F)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC001459030820 1067233761 /nfs/dbraw/zinc/23/37/61/1067233761.db2.gz HAQFFLMEEQFYAP-WMLDXEAASA-N 0 0 456.534 4.644 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC001452561512 1067234084 /nfs/dbraw/zinc/23/40/84/1067234084.db2.gz FHYHGFWCSZTRTG-DLBZAZTESA-N 0 0 456.505 4.815 20 0 JJADRN COC1(OC)CC2(CN(C(=O)/C=C\c3ccc(C(=O)OC(C)(C)C)o3)[C@H]2c2ccccc2)C1 ZINC001452561849 1067234147 /nfs/dbraw/zinc/23/41/47/1067234147.db2.gz PQUKJIVMNXMDTB-QYQIINSRSA-N 0 0 453.535 4.601 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001459032662 1067234363 /nfs/dbraw/zinc/23/43/63/1067234363.db2.gz KPGLNLOVHGLMKR-INIZCTEOSA-N 0 0 455.352 4.852 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC001459033583 1067234716 /nfs/dbraw/zinc/23/47/16/1067234716.db2.gz TYCYTOUZVFTMCP-IBGZPJMESA-N 0 0 455.498 4.632 20 0 JJADRN CC(C)c1nc([C@H](CO)NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cs1 ZINC001452571615 1067235213 /nfs/dbraw/zinc/23/52/13/1067235213.db2.gz ZPUDUJAEHJOKDN-KRWDZBQOSA-N 0 0 456.955 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3nc4ccc(Br)cc4o3)CCCC[C@H]12 ZINC001452569441 1067235285 /nfs/dbraw/zinc/23/52/85/1067235285.db2.gz ZYGYYPYVAJIVFY-HTAPYJJXSA-N 0 0 478.387 4.776 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cn1)c1ccccc1 ZINC001452568728 1067235304 /nfs/dbraw/zinc/23/53/04/1067235304.db2.gz PIIHZYLWTGWELW-IOMROCGXSA-N 0 0 451.567 4.787 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC001459034836 1067235446 /nfs/dbraw/zinc/23/54/46/1067235446.db2.gz NPLDTJZMNQURPS-OFAXGOBFSA-N 0 0 458.986 4.970 20 0 JJADRN O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001452593528 1067235613 /nfs/dbraw/zinc/23/56/13/1067235613.db2.gz IZTRFYIXRKVVHN-CTNGQTDRSA-N 0 0 458.331 4.502 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001459037860 1067236176 /nfs/dbraw/zinc/23/61/76/1067236176.db2.gz WLDJJISYKFURNL-GFCCVEGCSA-N 0 0 450.333 4.691 20 0 JJADRN C[C@H](OCCCNC(=O)CSCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001459039115 1067236188 /nfs/dbraw/zinc/23/61/88/1067236188.db2.gz UAIRXXRSRHWVFJ-IBGZPJMESA-N 0 0 450.645 4.651 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)c1 ZINC001459038024 1067236234 /nfs/dbraw/zinc/23/62/34/1067236234.db2.gz FXGOJOVEHFKQAD-UHFFFAOYSA-N 0 0 453.461 4.756 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCOc2ccc(Cl)c(C)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452612580 1067236741 /nfs/dbraw/zinc/23/67/41/1067236741.db2.gz GTKNDQPSKKIMKL-VQTJNVASSA-N 0 0 450.362 4.876 20 0 JJADRN CCc1nc(C(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001452611452 1067236868 /nfs/dbraw/zinc/23/68/68/1067236868.db2.gz ZGVWHIRZWRNEOC-WIYYLYMNSA-N 0 0 459.377 4.865 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001452612990 1067236890 /nfs/dbraw/zinc/23/68/90/1067236890.db2.gz JTFCIHVZPPTEKW-FCHUYYIVSA-N 0 0 465.981 4.986 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC001452613130 1067237217 /nfs/dbraw/zinc/23/72/17/1067237217.db2.gz LKHJCRPXGOMXMD-RBUKOAKNSA-N 0 0 458.942 4.560 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H](Sc2nccn2-c2ccc(OC)cc2C)C(C)C)cc1 ZINC001459041164 1067237286 /nfs/dbraw/zinc/23/72/86/1067237286.db2.gz NDZPGKDASTZJJH-QHCPKHFHSA-N 0 0 453.608 4.973 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1c1ccc(Cl)cc1 ZINC001452614731 1067237747 /nfs/dbraw/zinc/23/77/47/1067237747.db2.gz ZYZAPJSATOPOBI-DLBZAZTESA-N 0 0 461.743 4.613 20 0 JJADRN O=C(COc1cc(F)c(Cl)cc1Br)NCc1ccc(OC(F)(F)F)cc1 ZINC001459044269 1067237768 /nfs/dbraw/zinc/23/77/68/1067237768.db2.gz YWUVTFNZKMVPDT-UHFFFAOYSA-N 0 0 456.617 4.835 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)Cc2c3ccc(C)cc3oc2C(C)=O)C[C@H]1c1ccc(Cl)cc1 ZINC001452621044 1067237826 /nfs/dbraw/zinc/23/78/26/1067237826.db2.gz QPJUKXFXOVOTRN-LEWJYISDSA-N 0 0 453.922 4.555 20 0 JJADRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1[nH]ncc1I ZINC001546040883 1067237865 /nfs/dbraw/zinc/23/78/65/1067237865.db2.gz NVTCNRWJBIVVTQ-IEBWSBKVSA-N 0 0 457.315 4.606 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC001459046012 1067238308 /nfs/dbraw/zinc/23/83/08/1067238308.db2.gz ZSJYSEANSIPTCM-UHFFFAOYSA-N 0 0 452.551 4.823 20 0 JJADRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459045644 1067238399 /nfs/dbraw/zinc/23/83/99/1067238399.db2.gz JHRBUZDZOQZZGJ-QGZVFWFLSA-N 0 0 458.814 4.978 20 0 JJADRN COc1cc(CCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC001459047913 1067238753 /nfs/dbraw/zinc/23/87/53/1067238753.db2.gz HJLBMEHKMNBYBY-UHFFFAOYSA-N 0 0 455.448 4.651 20 0 JJADRN CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)c1 ZINC001459048192 1067238760 /nfs/dbraw/zinc/23/87/60/1067238760.db2.gz YOILIJNSMJRBEJ-UHFFFAOYSA-N 0 0 454.821 4.829 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459047900 1067238810 /nfs/dbraw/zinc/23/88/10/1067238810.db2.gz HHZIIBHCRAGJEW-MSOLQXFVSA-N 0 0 469.301 4.789 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)n[nH]1 ZINC001452632917 1067238820 /nfs/dbraw/zinc/23/88/20/1067238820.db2.gz NKBQXZPIRYMLQD-JOCHJYFZSA-N 0 0 450.539 4.569 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)cc1 ZINC001459050327 1067239208 /nfs/dbraw/zinc/23/92/08/1067239208.db2.gz WYAFWCKBXBKWGK-SFHVURJKSA-N 0 0 456.608 4.586 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)O[C@@H](C)c2ccc(Cl)cn2)c2ccccc2)cc1 ZINC001459050999 1067239330 /nfs/dbraw/zinc/23/93/30/1067239330.db2.gz JLULBWACGLARJJ-SFHVURJKSA-N 0 0 458.967 4.933 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)O[C@H](Cc3ccc(F)cc3)C(F)(F)F)no2)c1 ZINC001459051130 1067239706 /nfs/dbraw/zinc/23/97/06/1067239706.db2.gz NBAASVAZMNDCOF-HXUWFJFHSA-N 0 0 451.372 4.926 20 0 JJADRN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)c12 ZINC001459053131 1067240056 /nfs/dbraw/zinc/24/00/56/1067240056.db2.gz PVOSBCJWOHKSJS-SFHVURJKSA-N 0 0 453.974 4.666 20 0 JJADRN CC(C)n1nc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)c2ccccc2c1=O ZINC001452656965 1067241473 /nfs/dbraw/zinc/24/14/73/1067241473.db2.gz SKDFIBYJCAEIFH-UHFFFAOYSA-N 0 0 458.356 4.995 20 0 JJADRN COc1ccc(-c2ccn(-c3ccc(S[C@H](C(=O)NC4CCCC4)C(C)C)nn3)n2)cc1 ZINC001459058758 1067241392 /nfs/dbraw/zinc/24/13/92/1067241392.db2.gz RPJSTKANWBDBFC-QHCPKHFHSA-N 0 0 451.596 4.513 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001459058412 1067241404 /nfs/dbraw/zinc/24/14/04/1067241404.db2.gz KTHPNRZFRLINJD-QFIPXVFZSA-N 0 0 454.567 4.511 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(C)COCCO2)C1 ZINC001546106156 1067241875 /nfs/dbraw/zinc/24/18/75/1067241875.db2.gz LDEOSGXXFRKUOP-QFIPXVFZSA-N 0 0 493.446 4.538 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC001459060470 1067241888 /nfs/dbraw/zinc/24/18/88/1067241888.db2.gz QRFOHXYXHAHYFL-UHFFFAOYSA-N 0 0 452.599 4.584 20 0 JJADRN CC(=O)N1CCN(Cc2cccc(NC(=O)c3csc(-c4ccc(Cl)cc4)c3)c2)CC1 ZINC001459067119 1067242737 /nfs/dbraw/zinc/24/27/37/1067242737.db2.gz FFLAHWLZTSWYEM-UHFFFAOYSA-N 0 0 453.995 4.985 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c2ccccc21 ZINC001459067851 1067242807 /nfs/dbraw/zinc/24/28/07/1067242807.db2.gz GXSZDYDCAFVJSM-KRWDZBQOSA-N 0 0 452.532 4.525 20 0 JJADRN Cc1ccc(COC(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)cc1Br ZINC001459067750 1067242814 /nfs/dbraw/zinc/24/28/14/1067242814.db2.gz MTKZYWYTJAWCHW-UHFFFAOYSA-N 0 0 459.308 4.576 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001452681434 1067242986 /nfs/dbraw/zinc/24/29/86/1067242986.db2.gz LJCYFDGWUPBVOB-QVGHQYEOSA-N 0 0 456.627 4.635 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001452689386 1067243805 /nfs/dbraw/zinc/24/38/05/1067243805.db2.gz IHHKEOATIRGUCW-HBFSDRIKSA-N 0 0 450.362 4.872 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001459070381 1067243900 /nfs/dbraw/zinc/24/39/00/1067243900.db2.gz FQPDNLCXWJCLTJ-UHFFFAOYSA-N 0 0 453.841 4.746 20 0 JJADRN CN(C(=O)COc1ccc(Cl)cc1Br)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452691596 1067244480 /nfs/dbraw/zinc/24/44/80/1067244480.db2.gz AOTXDBFODGMTMD-SFHVURJKSA-N 0 0 452.711 4.592 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c1 ZINC001452689477 1067244570 /nfs/dbraw/zinc/24/45/70/1067244570.db2.gz HVFZIUYXTIELBG-MRXNPFEDSA-N 0 0 455.407 4.808 20 0 JJADRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCc1cccc(C)c1Br ZINC001459072869 1067244772 /nfs/dbraw/zinc/24/47/72/1067244772.db2.gz FOTLYDQNBWOAIS-UHFFFAOYSA-N 0 0 455.381 4.856 20 0 JJADRN COC(=O)c1cc(NC(=O)CCCc2ccc(Br)cc2)ccc1Br ZINC001459073935 1067245248 /nfs/dbraw/zinc/24/52/48/1067245248.db2.gz XHZYKILJHBPEHM-UHFFFAOYSA-N 0 0 455.146 4.960 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1F)c1c(F)cccc1I ZINC001459075708 1067245833 /nfs/dbraw/zinc/24/58/33/1067245833.db2.gz RSGAIZUUQSBIPD-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459076163 1067245967 /nfs/dbraw/zinc/24/59/67/1067245967.db2.gz PBWXTXVPFMVBPK-KBXCAEBGSA-N 0 0 456.425 4.635 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@H]1N1CCOCC1 ZINC001452714112 1067246125 /nfs/dbraw/zinc/24/61/25/1067246125.db2.gz MXLFDRFAMUCPFD-NHCUHLMSSA-N 0 0 450.476 4.741 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001459076169 1067246253 /nfs/dbraw/zinc/24/62/53/1067246253.db2.gz PBWXTXVPFMVBPK-KSSFIOAISA-N 0 0 456.425 4.635 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452728374 1067246577 /nfs/dbraw/zinc/24/65/77/1067246577.db2.gz PDSKMGNKDADQIB-HXUWFJFHSA-N 0 0 450.760 4.668 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3Nc3ccccc3)CC2)c1 ZINC001546042632 1067246676 /nfs/dbraw/zinc/24/66/76/1067246676.db2.gz QWESZJLUSLNBMS-UHFFFAOYSA-N 0 0 459.546 4.938 20 0 JJADRN CCOC(=O)c1sc(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nc1C ZINC001459078633 1067246903 /nfs/dbraw/zinc/24/69/03/1067246903.db2.gz DLRXMGNRUIJBOE-HNNXBMFYSA-N 0 0 458.605 4.929 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1[nH]nc(-c2ccccc2)c1Br ZINC001452734284 1067247030 /nfs/dbraw/zinc/24/70/30/1067247030.db2.gz WWNDNTDTAWBKMG-NRFANRHFSA-N 0 0 452.352 4.639 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001546105907 1067247865 /nfs/dbraw/zinc/24/78/65/1067247865.db2.gz BKIYFPBHMWRKBM-SANMLTNESA-N 0 0 467.658 4.865 20 0 JJADRN CC(C)CC[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O ZINC001459082281 1067247923 /nfs/dbraw/zinc/24/79/23/1067247923.db2.gz RCFZCEUELFKQHK-AREMUKBSSA-N 0 0 457.590 4.624 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 ZINC001546042947 1067248578 /nfs/dbraw/zinc/24/85/78/1067248578.db2.gz CWXJELPNDIBCMH-MOPGFXCFSA-N 0 0 481.707 4.623 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(F)cc(N4C[C@@H](C)O[C@@H](C)C4)c3)n2)n1 ZINC001452751390 1067248626 /nfs/dbraw/zinc/24/86/26/1067248626.db2.gz AHTHHSIEUUPLLY-IYBDPMFKSA-N 0 0 457.937 4.543 20 0 JJADRN O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cnn(Cc2ccccc2)c1Br ZINC001459091240 1067249207 /nfs/dbraw/zinc/24/92/07/1067249207.db2.gz AOXDTVHLDSZGSC-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)cnc1F ZINC001459089869 1067249287 /nfs/dbraw/zinc/24/92/87/1067249287.db2.gz UMFCQGPAZBHJDZ-RBBKRZOGSA-N 0 0 455.574 4.907 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001546106008 1067249769 /nfs/dbraw/zinc/24/97/69/1067249769.db2.gz GINHUQWAZSCJQZ-KRWDZBQOSA-N 0 0 495.487 4.549 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)cc1 ZINC001452767517 1067250007 /nfs/dbraw/zinc/25/00/07/1067250007.db2.gz NBNSWHMGHPKLOC-LJQANCHMSA-N 0 0 450.988 4.650 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(CCOC)c2)C1 ZINC001546106279 1067250268 /nfs/dbraw/zinc/25/02/68/1067250268.db2.gz PXTHMAUUAVPYCC-UHFFFAOYSA-N 0 0 487.446 4.615 20 0 JJADRN O=c1c2ccc(Br)cc2on1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001459101559 1067250599 /nfs/dbraw/zinc/25/05/99/1067250599.db2.gz BQSVLCCYHGDQRX-UHFFFAOYSA-N 0 0 450.086 4.823 20 0 JJADRN Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001452776607 1067250817 /nfs/dbraw/zinc/25/08/17/1067250817.db2.gz LGGXLDURJLOSJW-NJAFHUGGSA-N 0 0 464.488 4.926 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@@H](CC)OC[C@H]2C)c1=S ZINC001452779065 1067251193 /nfs/dbraw/zinc/25/11/93/1067251193.db2.gz ZEPXQWDEBYXXFM-VQIMIIECSA-N 0 0 451.036 4.951 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@H](CC)OC[C@@H]2C)c1=S ZINC001452779061 1067251393 /nfs/dbraw/zinc/25/13/93/1067251393.db2.gz ZEPXQWDEBYXXFM-LPHOPBHVSA-N 0 0 451.036 4.951 20 0 JJADRN CC(C)CN(CC(C)C)C(=O)COc1c(I)cccc1C(F)(F)F ZINC001459105655 1067251559 /nfs/dbraw/zinc/25/15/59/1067251559.db2.gz QYGUSYNXAFPHNK-UHFFFAOYSA-N 0 0 457.274 4.829 20 0 JJADRN COc1ccc([C@@H](CC(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)NC(C)=O)cc1 ZINC001459110033 1067252625 /nfs/dbraw/zinc/25/26/25/1067252625.db2.gz HXINUEISHLXZJZ-NBGIEHNGSA-N 0 0 457.574 4.704 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)O1 ZINC001546044397 1067252702 /nfs/dbraw/zinc/25/27/02/1067252702.db2.gz ALXZIMMQCNGGRR-XZWCOCNFSA-N 0 0 460.594 4.768 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2nccs2)O1 ZINC001546044367 1067252792 /nfs/dbraw/zinc/25/27/92/1067252792.db2.gz ADEVJHCIWCUSQR-DVECYGJZSA-N 0 0 468.627 4.588 20 0 JJADRN CCOC(=O)c1cnc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1C ZINC001459113073 1067253089 /nfs/dbraw/zinc/25/30/89/1067253089.db2.gz TXPCWYBFTLRUSN-UHFFFAOYSA-N 0 0 451.310 4.934 20 0 JJADRN O=S(=O)(Cc1cccc(Br)c1OC(F)F)c1ccc(Br)cc1 ZINC001459113406 1067253139 /nfs/dbraw/zinc/25/31/39/1067253139.db2.gz YNFKXDLPZVUBSQ-UHFFFAOYSA-N 0 0 456.102 4.787 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@@H](Sc2ncc(CO)n2Cc2cccc(F)c2)C(C)C)c1 ZINC001459111658 1067253164 /nfs/dbraw/zinc/25/31/64/1067253164.db2.gz LGWOBLCIEJTUSN-QFIPXVFZSA-N 0 0 455.555 4.521 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2csc(-c3cccs3)n2)Cc2ccccc21 ZINC001452797414 1067253208 /nfs/dbraw/zinc/25/32/08/1067253208.db2.gz AYWQPJIAWPCGQN-MRXNPFEDSA-N 0 0 455.605 4.897 20 0 JJADRN CN(C)c1cc(F)cc(NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001452798006 1067253315 /nfs/dbraw/zinc/25/33/15/1067253315.db2.gz UCCHGHKQWVEYON-CQSZACIVSA-N 0 0 454.287 4.547 20 0 JJADRN Cc1cc(CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C2CC2)cc(S(N)(=O)=O)c1C ZINC001452803558 1067253518 /nfs/dbraw/zinc/25/35/18/1067253518.db2.gz NTKMFSOHWPHCAQ-UHFFFAOYSA-N 0 0 453.608 4.534 20 0 JJADRN CCn1c(SCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C)nnc1-c1ccccc1C ZINC001452803790 1067253693 /nfs/dbraw/zinc/25/36/93/1067253693.db2.gz PZDFARRONMMVDB-UHFFFAOYSA-N 0 0 450.543 4.637 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCCO[C@H](C)C2)O1 ZINC001546044601 1067254166 /nfs/dbraw/zinc/25/41/66/1067254166.db2.gz CZDPLSOMOOEFLY-ZWDAVXSWSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC001459119031 1067254644 /nfs/dbraw/zinc/25/46/44/1067254644.db2.gz GMXHUNJKUIQQTD-DZGCQCFKSA-N 0 0 476.209 4.521 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnn(C)c2C)O1 ZINC001546044665 1067254688 /nfs/dbraw/zinc/25/46/88/1067254688.db2.gz DUXUXCLBGRFLHY-RQBNJVACSA-N 0 0 470.593 4.583 20 0 JJADRN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(C)cc(C(F)(F)F)c3=O)n2)cc1 ZINC001459119927 1067255084 /nfs/dbraw/zinc/25/50/84/1067255084.db2.gz CNWHVJQQNOXDOR-GFCCVEGCSA-N 0 0 450.486 4.846 20 0 JJADRN CN(Cc1ccccc1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)OC(C)(C)C ZINC001452814893 1067255090 /nfs/dbraw/zinc/25/50/90/1067255090.db2.gz IVIJNDUPPUQDTO-HSZRJFAPSA-N 0 0 454.567 4.541 20 0 JJADRN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 ZINC001452814034 1067255173 /nfs/dbraw/zinc/25/51/73/1067255173.db2.gz BWGIFFNRYDVZNK-UHFFFAOYSA-N 0 0 450.289 4.726 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(CN2CCCC2=O)cc1 ZINC001459120875 1067255722 /nfs/dbraw/zinc/25/57/22/1067255722.db2.gz LEUWRLVQBNGYQS-QFIPXVFZSA-N 0 0 455.396 4.713 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001459125143 1067256122 /nfs/dbraw/zinc/25/61/22/1067256122.db2.gz ZWJKMXIZFPLAKB-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1c(F)cccc1F ZINC001459125871 1067256424 /nfs/dbraw/zinc/25/64/24/1067256424.db2.gz PFCKEAKMQXYFIF-KRWDZBQOSA-N 0 0 455.486 4.718 20 0 JJADRN C[C@@H](C(=O)NCc1cc(Br)ccc1Br)[C@H]1OCCc2sccc21 ZINC001459126590 1067256468 /nfs/dbraw/zinc/25/64/68/1067256468.db2.gz QHQZREPXPSXMLR-QLJPJBMISA-N 0 0 459.203 4.839 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)c1ccc2[nH]c(C(F)F)nc2c1 ZINC001459125313 1067256496 /nfs/dbraw/zinc/25/64/96/1067256496.db2.gz OVOBCGIPEYOCHP-UHFFFAOYSA-N 0 0 459.088 4.956 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)c1cc(=O)[nH]c2ccc(F)cc21 ZINC001459125951 1067256508 /nfs/dbraw/zinc/25/65/08/1067256508.db2.gz PHMJDPUBINYFBV-UHFFFAOYSA-N 0 0 454.093 4.535 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)O1 ZINC001546044876 1067256579 /nfs/dbraw/zinc/25/65/79/1067256579.db2.gz HZOCGNMEJYCAED-OSPHWJPCSA-N 0 0 478.012 4.504 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(I)ccc1C ZINC001459127397 1067257076 /nfs/dbraw/zinc/25/70/76/1067257076.db2.gz XSKOPNHWCQAFJE-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1nc(Br)sc1C1CC1 ZINC001452843380 1067257148 /nfs/dbraw/zinc/25/71/48/1067257148.db2.gz NHCXMBBVHOBWJF-AWEZNQCLSA-N 0 0 451.386 4.950 20 0 JJADRN CCc1ccncc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001452858354 1067257585 /nfs/dbraw/zinc/25/75/85/1067257585.db2.gz BQSCUBGUHRVCJI-UHFFFAOYSA-N 0 0 453.955 4.928 20 0 JJADRN CC1(C)CNC(=O)c2c(C(=O)N3CCSC[C@H]3c3cccc(C(F)(F)F)c3)coc2C1 ZINC001459131673 1067258074 /nfs/dbraw/zinc/25/80/74/1067258074.db2.gz HCBZLQVQVKQXCI-INIZCTEOSA-N 0 0 452.498 4.541 20 0 JJADRN CC(C)O[C@@H]1CCCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001452868426 1067258699 /nfs/dbraw/zinc/25/86/99/1067258699.db2.gz QWRUUKGHYZLGFF-HXUWFJFHSA-N 0 0 450.579 4.673 20 0 JJADRN C[C@@H](Sc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001459139040 1067259067 /nfs/dbraw/zinc/25/90/67/1067259067.db2.gz FZRFNBWUUHIBOG-GOSISDBHSA-N 0 0 458.649 4.859 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CCc2ccccc21 ZINC001452874014 1067259087 /nfs/dbraw/zinc/25/90/87/1067259087.db2.gz ZEAUCFJJNMKYTK-KRWDZBQOSA-N 0 0 454.979 4.943 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)O1 ZINC001546045172 1067259276 /nfs/dbraw/zinc/25/92/76/1067259276.db2.gz LSDHUJDKLBBRLO-VSIMYATPSA-N 0 0 456.631 4.996 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H](C)CC2)O1 ZINC001546045605 1067259556 /nfs/dbraw/zinc/25/95/56/1067259556.db2.gz QQHSJHFYBZKRGO-NXQMDHLFSA-N 0 0 474.049 4.836 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N3CCC(c4ccccc4Br)CC3)CC2=O)cc1 ZINC001459144940 1067259981 /nfs/dbraw/zinc/25/99/81/1067259981.db2.gz CIXSFUKUAQCDAQ-LJQANCHMSA-N 0 0 455.396 4.771 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C(=O)NC)O1 ZINC001546045777 1067260224 /nfs/dbraw/zinc/26/02/24/1067260224.db2.gz SFZGRCREUPJNDC-ZZTRNUCDSA-N 0 0 496.681 4.543 20 0 JJADRN CC[C@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1cc(F)cc(Br)c1 ZINC001459146016 1067260487 /nfs/dbraw/zinc/26/04/87/1067260487.db2.gz FMVRSQYVYKMTFS-AWEZNQCLSA-N 0 0 459.241 4.770 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(-c3ccco3)nn1)CCCC2 ZINC001459145766 1067260573 /nfs/dbraw/zinc/26/05/73/1067260573.db2.gz DSDWKICEKLTULC-CYBMUJFWSA-N 0 0 457.577 4.973 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452896800 1067260729 /nfs/dbraw/zinc/26/07/29/1067260729.db2.gz LPSYQMGJXIDDSI-NZQKXSOJSA-N 0 0 452.595 4.897 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452896808 1067260781 /nfs/dbraw/zinc/26/07/81/1067260781.db2.gz LPSYQMGJXIDDSI-OFNKIYASSA-N 0 0 452.595 4.897 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452897020 1067261146 /nfs/dbraw/zinc/26/11/46/1067261146.db2.gz MOYIXRVXUMFYJI-GOSISDBHSA-N 0 0 456.612 4.902 20 0 JJADRN C/C(=C\C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001459149592 1067261551 /nfs/dbraw/zinc/26/15/51/1067261551.db2.gz URTORYUHVWQUFS-RDPWEWGOSA-N 0 0 452.423 4.694 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546045843 1067261640 /nfs/dbraw/zinc/26/16/40/1067261640.db2.gz UBBGYINVNLNZMB-NVNZTLJMSA-N 0 0 460.594 4.768 20 0 JJADRN COc1cccc(OC)c1CC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452903250 1067262088 /nfs/dbraw/zinc/26/20/88/1067262088.db2.gz UQJAPNSCVAXCDP-IBGZPJMESA-N 0 0 454.567 4.509 20 0 JJADRN CCc1ccc2occ(C(=O)N3CCC[C@H]([C@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)c2c1 ZINC001452903950 1067262615 /nfs/dbraw/zinc/26/26/15/1067262615.db2.gz KYHPVZWARRAAPU-YCRNBWNJSA-N 0 0 456.583 4.920 20 0 JJADRN COc1ccc(C(=O)NCc2cccc(C(C)C)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001459154305 1067263163 /nfs/dbraw/zinc/26/31/63/1067263163.db2.gz MSIYOCBXGJONDS-PGRDOPGGSA-N 0 0 458.624 4.606 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3F)C2)C1 ZINC001452908681 1067263528 /nfs/dbraw/zinc/26/35/28/1067263528.db2.gz ZCTQIZNZCQVNTE-CPUCHLNUSA-N 0 0 458.933 4.543 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3cc(Br)cnc3Cl)cc2)c1 ZINC001459157693 1067263560 /nfs/dbraw/zinc/26/35/60/1067263560.db2.gz IEWCPBNWSHRIHD-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC001459158212 1067263570 /nfs/dbraw/zinc/26/35/70/1067263570.db2.gz XAHXUBCZMIYFIX-GFCCVEGCSA-N 0 0 451.283 4.597 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)[C@H]3CSCCS3)sc3c2CCC3)cc1Cl ZINC001459158051 1067263666 /nfs/dbraw/zinc/26/36/66/1067263666.db2.gz GUECQOSSYZQYHQ-MRXNPFEDSA-N 0 0 454.038 4.917 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C)CC(C)C ZINC001452915309 1067264105 /nfs/dbraw/zinc/26/41/05/1067264105.db2.gz AQUHMTSIMCSOKK-RLBLXZPPSA-N 0 0 456.627 4.502 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](OC)C(C)(C)C2)O1 ZINC001546046028 1067264180 /nfs/dbraw/zinc/26/41/80/1067264180.db2.gz VZSJDVZYFVTEAP-CCIIEHSASA-N 0 0 460.594 4.766 20 0 JJADRN CC(=O)c1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]3C)c1 ZINC001459165391 1067264681 /nfs/dbraw/zinc/26/46/81/1067264681.db2.gz QOKVDXCZDGCXLK-DZGCQCFKSA-N 0 0 459.564 4.946 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)CCS2 ZINC001459166206 1067265046 /nfs/dbraw/zinc/26/50/46/1067265046.db2.gz RUUAAEQEYDBMIY-UHFFFAOYSA-N 0 0 459.564 4.812 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cnn(-c4ccccc4)n3)sc2[C@@H](C)O1 ZINC001459166934 1067265207 /nfs/dbraw/zinc/26/52/07/1067265207.db2.gz SWNAUAIFOSUERJ-ZIAGYGMSSA-N 0 0 454.552 4.559 20 0 JJADRN O=C(c1cc2c(cncc2Br)s1)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001452949926 1067266645 /nfs/dbraw/zinc/26/66/45/1067266645.db2.gz DLFVALTXLHPNRJ-NSHDSACASA-N 0 0 457.275 4.845 20 0 JJADRN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001452949743 1067266656 /nfs/dbraw/zinc/26/66/56/1067266656.db2.gz CWVWLXTXUWEBOE-UHFFFAOYSA-N 0 0 452.274 4.912 20 0 JJADRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001459181468 1067266994 /nfs/dbraw/zinc/26/69/94/1067266994.db2.gz HHIVDPZMXYHGQA-CQSZACIVSA-N 0 0 456.251 4.615 20 0 JJADRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001459181463 1067267025 /nfs/dbraw/zinc/26/70/25/1067267025.db2.gz HHIVDPZMXYHGQA-AWEZNQCLSA-N 0 0 456.251 4.615 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N3CCCCC[C@H]3C)nnc2-c2ccncc2)cc1 ZINC001459183870 1067267393 /nfs/dbraw/zinc/26/73/93/1067267393.db2.gz NGLKSLKATUOEDE-GOSISDBHSA-N 0 0 451.596 4.611 20 0 JJADRN C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452957858 1067267735 /nfs/dbraw/zinc/26/77/35/1067267735.db2.gz LUOLZCWNFDDZCF-MOPGFXCFSA-N 0 0 454.567 4.688 20 0 JJADRN CC(C)Cc1nsc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC001452962683 1067268094 /nfs/dbraw/zinc/26/80/94/1067268094.db2.gz KPOCZPVNTSGXRJ-OAHLLOKOSA-N 0 0 450.564 4.602 20 0 JJADRN CCc1nc(C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)nn1-c1ccccc1Cl ZINC001452962802 1067268235 /nfs/dbraw/zinc/26/82/35/1067268235.db2.gz UXEIHTVKMWCECJ-INIZCTEOSA-N 0 0 453.757 4.596 20 0 JJADRN Cc1cc(C(=O)Nc2cccnc2N2CCCCC2)c(I)cc1Cl ZINC001459186401 1067268209 /nfs/dbraw/zinc/26/82/09/1067268209.db2.gz QKVWXBCQDQZTNM-UHFFFAOYSA-N 0 0 455.727 4.891 20 0 JJADRN CN(C(=O)CC(C)(C)NC(=O)OCc1ccccc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001452963387 1067268546 /nfs/dbraw/zinc/26/85/46/1067268546.db2.gz WIUZGCSGLLQXHK-GOSISDBHSA-N 0 0 453.366 4.580 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452967623 1067269188 /nfs/dbraw/zinc/26/91/88/1067269188.db2.gz VYOHBERIGLZQQB-MSOLQXFVSA-N 0 0 458.990 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)C1 ZINC001452966332 1067269203 /nfs/dbraw/zinc/26/92/03/1067269203.db2.gz PPUGWPHQAYTKNL-UDOOFANFSA-N 0 0 485.625 4.553 20 0 JJADRN COCCCOc1cccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1C ZINC001452969320 1067269501 /nfs/dbraw/zinc/26/95/01/1067269501.db2.gz UTZOUVPDJWOJTC-UHFFFAOYSA-N 0 0 457.368 4.853 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2ccccc2CSc2nc(C)cs2)cc1 ZINC001459191913 1067269579 /nfs/dbraw/zinc/26/95/79/1067269579.db2.gz XAOJIJXZXOCQFL-UHFFFAOYSA-N 0 0 456.589 4.568 20 0 JJADRN Cc1c(C(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)nnn1-c1cccc(C)c1 ZINC001459197173 1067270070 /nfs/dbraw/zinc/27/00/70/1067270070.db2.gz ZDWQQJZXXVSZMM-UHFFFAOYSA-N 0 0 456.218 4.764 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001452980290 1067269970 /nfs/dbraw/zinc/26/99/70/1067269970.db2.gz XWJVBOMHOKQZRC-SIIHOXLZSA-N 0 0 469.445 4.746 20 0 JJADRN COCC1(C2CCC2)CN(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)C1 ZINC001452983686 1067270497 /nfs/dbraw/zinc/27/04/97/1067270497.db2.gz MIMIEUWVDCIZPO-UHFFFAOYSA-N 0 0 450.963 4.990 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)cs2)cc1 ZINC001459205512 1067271052 /nfs/dbraw/zinc/27/10/52/1067271052.db2.gz NZWWQFNFSTVZKV-JOCHJYFZSA-N 0 0 450.539 4.991 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)CNC(=O)NCc3ccc(Cl)cc3)nc2)c1 ZINC001452987211 1067270995 /nfs/dbraw/zinc/27/09/95/1067270995.db2.gz PHPJSKUMWHAYCS-UHFFFAOYSA-N 0 0 455.971 4.638 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)nn3C)nc2)c1 ZINC001452987836 1067271228 /nfs/dbraw/zinc/27/12/28/1067271228.db2.gz RVRBFMBJRONUTE-UHFFFAOYSA-N 0 0 454.556 4.880 20 0 JJADRN C[C@@H](C(=O)N1CCCc2c(Br)ccc(Cl)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001459207819 1067271492 /nfs/dbraw/zinc/27/14/92/1067271492.db2.gz DRXVITCCUFCQFA-GFCCVEGCSA-N 0 0 456.789 4.589 20 0 JJADRN O=C(c1cc(F)c(F)cc1Br)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993499 1067271560 /nfs/dbraw/zinc/27/15/60/1067271560.db2.gz IWPFASYQOHSVGB-UHFFFAOYSA-N 0 0 450.110 4.997 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCO)cc1NC(=O)c1ccc(Br)cc1 ZINC001452994828 1067271662 /nfs/dbraw/zinc/27/16/62/1067271662.db2.gz DRJWGMBOTCQIGN-IERDGZPVSA-N 0 0 459.384 4.633 20 0 JJADRN COc1cccc(-c2nnc(SCc3csc(CC(=O)Nc4ccc(C)cc4)n3)o2)c1 ZINC001459211825 1067271879 /nfs/dbraw/zinc/27/18/79/1067271879.db2.gz XEXUDGYITBKBAU-UHFFFAOYSA-N 0 0 452.561 4.984 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccnc2-c2csc(C)c2)cc1 ZINC001459210040 1067272021 /nfs/dbraw/zinc/27/20/21/1067272021.db2.gz JFPDSVCTYWURDM-UHFFFAOYSA-N 0 0 457.621 4.720 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cs1 ZINC001459212029 1067272031 /nfs/dbraw/zinc/27/20/31/1067272031.db2.gz RASUBXJDYMZPDT-MRXNPFEDSA-N 0 0 455.967 4.638 20 0 JJADRN CC1(Nc2nc(CC(=O)Nc3ccc(I)cc3F)cs2)CCCC1 ZINC001452995863 1067272020 /nfs/dbraw/zinc/27/20/20/1067272020.db2.gz DZXCOYUJENYDQK-UHFFFAOYSA-N 0 0 459.328 4.813 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)ccn1 ZINC001452997007 1067272714 /nfs/dbraw/zinc/27/27/14/1067272714.db2.gz YQYVPACZEMGBGQ-UHFFFAOYSA-N 0 0 451.354 4.698 20 0 JJADRN CCOC(=O)c1cn(CCCCC2CCOCC2)c2c(Br)ccc(F)c2c1=O ZINC001459220694 1067272769 /nfs/dbraw/zinc/27/27/69/1067272769.db2.gz ZYAWILFXWRCYFA-UHFFFAOYSA-N 0 0 454.336 4.677 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)c2)cn1 ZINC001459225239 1067273168 /nfs/dbraw/zinc/27/31/68/1067273168.db2.gz KOQNJARHIRZSBA-HXUWFJFHSA-N 0 0 455.480 4.997 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001453000371 1067273791 /nfs/dbraw/zinc/27/37/91/1067273791.db2.gz RAXQYSVNLKUIFP-UHFFFAOYSA-N 0 0 458.430 4.973 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1C(F)(F)F ZINC001453001210 1067274534 /nfs/dbraw/zinc/27/45/34/1067274534.db2.gz ULDYGEUDFODUFB-ZFWWWQNUSA-N 0 0 458.402 4.835 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCc2ccc(OC)cc2CC1 ZINC001459231516 1067274768 /nfs/dbraw/zinc/27/47/68/1067274768.db2.gz ZFYBKYWAELHCSI-UHFFFAOYSA-N 0 0 455.352 4.916 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)[nH]n1 ZINC001453029991 1067275044 /nfs/dbraw/zinc/27/50/44/1067275044.db2.gz HLJNPSGWGIZEPX-OYHNWAKOSA-N 0 0 470.367 4.840 20 0 JJADRN Cc1ccncc1CCNC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001453030535 1067275110 /nfs/dbraw/zinc/27/51/10/1067275110.db2.gz JFMCKINQGOVZFQ-UHFFFAOYSA-N 0 0 457.574 4.758 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC001459234113 1067275165 /nfs/dbraw/zinc/27/51/65/1067275165.db2.gz URHKFUUISUUNPU-GDBMZVCRSA-N 0 0 458.559 4.521 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001459232245 1067275280 /nfs/dbraw/zinc/27/52/80/1067275280.db2.gz YIMNZBRBVKZAJB-GFCCVEGCSA-N 0 0 451.436 4.594 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)cc1Br ZINC001459235764 1067275642 /nfs/dbraw/zinc/27/56/42/1067275642.db2.gz FEBAYKBKKCLNGC-AWEZNQCLSA-N 0 0 459.381 4.734 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)cc1Br ZINC001459235778 1067275705 /nfs/dbraw/zinc/27/57/05/1067275705.db2.gz FEBAYKBKKCLNGC-CQSZACIVSA-N 0 0 459.381 4.734 20 0 JJADRN O=c1onc(-c2cc(Br)cc(Br)c2)n1C[C@H]1CCCCC1(F)F ZINC001459236188 1067275777 /nfs/dbraw/zinc/27/57/77/1067275777.db2.gz LBAPMYDMOABSIL-SNVBAGLBSA-N 0 0 452.093 4.854 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001453068787 1067275981 /nfs/dbraw/zinc/27/59/81/1067275981.db2.gz BBMCJZWDVXALGX-KRWDZBQOSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1nnc(CN(C)C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC001453057552 1067276053 /nfs/dbraw/zinc/27/60/53/1067276053.db2.gz UVHVODQDXQJBMN-IMFGXOCKSA-N 0 0 459.612 4.746 20 0 JJADRN C[C@@H](Sc1nc(C2CCCCC2)cs1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC001459239893 1067276147 /nfs/dbraw/zinc/27/61/47/1067276147.db2.gz OVHXLSLLOUOQRO-GOSISDBHSA-N 0 0 459.681 4.820 20 0 JJADRN COC(=O)c1cccc(C(=O)COc2cc(C(C)(C)C)ccc2I)c1 ZINC001459238840 1067276227 /nfs/dbraw/zinc/27/62/27/1067276227.db2.gz HZIKRBFCTQVZSZ-UHFFFAOYSA-N 0 0 452.288 4.637 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)CC1 ZINC001453069499 1067276561 /nfs/dbraw/zinc/27/65/61/1067276561.db2.gz DWSUCVMVEFIQHN-LJFZDNNRSA-N 0 0 451.007 4.631 20 0 JJADRN CCc1nc(C)cn1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCC2 ZINC001459244466 1067276766 /nfs/dbraw/zinc/27/67/66/1067276766.db2.gz WZOAYHJBZYDJJO-UHFFFAOYSA-N 0 0 452.580 4.594 20 0 JJADRN O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001459246168 1067277064 /nfs/dbraw/zinc/27/70/64/1067277064.db2.gz PVSRISKTBUETMP-IBGZPJMESA-N 0 0 453.707 4.606 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC001453081324 1067277768 /nfs/dbraw/zinc/27/77/68/1067277768.db2.gz SYKOMDLSOLSJIS-QGZVFWFLSA-N 0 0 452.389 4.676 20 0 JJADRN COC(=O)c1ccc(Cl)cc1SCC(=O)NCc1cccc(COCc2ccco2)c1 ZINC001459252198 1067277695 /nfs/dbraw/zinc/27/76/95/1067277695.db2.gz UIDFNJXLKVKKNU-UHFFFAOYSA-N 0 0 459.951 4.845 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c1 ZINC001459252666 1067277757 /nfs/dbraw/zinc/27/77/57/1067277757.db2.gz BCEFQXWXOQOIKG-UHFFFAOYSA-N 0 0 455.580 4.603 20 0 JJADRN COC(=O)c1nc(CNC(=O)c2ccccc2NCCc2ccc(Cl)cc2)ccc1Cl ZINC001453078528 1067277807 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/nfs/dbraw/zinc/27/92/63/1067279263.db2.gz IQQLYGJLQXYRNL-UCNVEGJOSA-N 0 0 466.557 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc3cc(O)ccc23)C1 ZINC001453110549 1067279311 /nfs/dbraw/zinc/27/93/11/1067279311.db2.gz HALMMCVTVZYWQM-WIYYLYMNSA-N 0 0 454.498 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccc(Br)c2N)C1 ZINC001453113481 1067279373 /nfs/dbraw/zinc/27/93/73/1067279373.db2.gz MYZVOPHQCQOAPJ-VQIMIIECSA-N 0 0 474.399 4.554 20 0 JJADRN CCCCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)c(C)n1 ZINC001453116356 1067279679 /nfs/dbraw/zinc/27/96/79/1067279679.db2.gz HSSRLKKDPXTSMI-GMAHTHKFSA-N 0 0 470.614 4.523 20 0 JJADRN CC[C@@H](C)CC[C@@H](O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001453116763 1067279719 /nfs/dbraw/zinc/27/97/19/1067279719.db2.gz CUZVRKIBFROVDC-PBVWOCPUSA-N 0 0 480.621 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C(F)(F)F)ccn2)C1 ZINC001453119284 1067280328 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CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCCO[C@H](C)C2)O1 ZINC001546048364 1067287847 /nfs/dbraw/zinc/28/78/47/1067287847.db2.gz LDXUCGARBKBRDR-WLENULPWSA-N 0 0 493.446 4.679 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CCC2CCOCC2)O1 ZINC001546048407 1067288259 /nfs/dbraw/zinc/28/82/59/1067288259.db2.gz LPRJIQREFVKXTG-HFZDXXHNSA-N 0 0 472.630 4.563 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cccn(Cc2ccccc2)c1=O ZINC001459304811 1067288424 /nfs/dbraw/zinc/28/84/24/1067288424.db2.gz UNGYYVGUDRTCQX-FQEVSTJZSA-N 0 0 452.938 4.750 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)C1(F)F ZINC001453206601 1067288726 /nfs/dbraw/zinc/28/87/26/1067288726.db2.gz AZODLXVWZCPSBW-VXGBXAGGSA-N 0 0 479.336 4.856 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCOC2)O1 ZINC001546048469 1067288809 /nfs/dbraw/zinc/28/88/09/1067288809.db2.gz MNXJGYMGUJXDLL-HYFFOGBASA-N 0 0 463.420 4.528 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnc(C)s2)O1 ZINC001546048516 1067288826 /nfs/dbraw/zinc/28/88/26/1067288826.db2.gz NBNMVYRNCQABKS-IERDGZPVSA-N 0 0 493.475 4.795 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001453221458 1067289670 /nfs/dbraw/zinc/28/96/70/1067289670.db2.gz GZGXPZSETGQJIJ-MRXNPFEDSA-N 0 0 459.612 4.786 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](OC)C2)O1 ZINC001546048573 1067289684 /nfs/dbraw/zinc/28/96/84/1067289684.db2.gz NUALAVNORFITMT-JBYIUTFZSA-N 0 0 463.420 4.589 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001453217551 1067289816 /nfs/dbraw/zinc/28/98/16/1067289816.db2.gz XGZYGNJUECWJPT-UHFFFAOYSA-N 0 0 450.004 4.942 20 0 JJADRN Cc1ccc(-c2nnc([C@@H](C)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)o2)cc1C ZINC001459309219 1067289993 /nfs/dbraw/zinc/28/99/93/1067289993.db2.gz KCUNMPNVKMFQFF-LJQANCHMSA-N 0 0 450.558 4.890 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)O[C@@H](C)C2)O1 ZINC001546048695 1067290454 /nfs/dbraw/zinc/29/04/54/1067290454.db2.gz PBZJAUHNWQEEAB-QMMIURJYSA-N 0 0 481.410 4.808 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459313797 1067291414 /nfs/dbraw/zinc/29/14/14/1067291414.db2.gz CFZDMESATFKYSI-BLVKFPJESA-N 0 0 453.297 4.680 20 0 JJADRN O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453249079 1067291465 /nfs/dbraw/zinc/29/14/65/1067291465.db2.gz VHMFIODJBVILEH-SNAWJCMRSA-N 0 0 458.402 4.729 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)O1 ZINC001546048945 1067291476 /nfs/dbraw/zinc/29/14/76/1067291476.db2.gz RVAWBJSAYGNHIS-COFKYPDJSA-N 0 0 467.658 4.553 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2cc(Cl)ccn2)O1 ZINC001546048958 1067291944 /nfs/dbraw/zinc/29/19/44/1067291944.db2.gz RYAMPESWJKQBLY-URXFXBBRSA-N 0 0 455.990 4.986 20 0 JJADRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)ccc1Br ZINC001459317541 1067292601 /nfs/dbraw/zinc/29/26/01/1067292601.db2.gz XAZBCUFLXVGQLJ-AWEZNQCLSA-N 0 0 454.748 4.844 20 0 JJADRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001459316895 1067292619 /nfs/dbraw/zinc/29/26/19/1067292619.db2.gz VEYGNWYJORAUKQ-QGZVFWFLSA-N 0 0 456.995 4.795 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc(OCc3ccncc3)cc2)Cc2ccccc21 ZINC001453285150 1067293630 /nfs/dbraw/zinc/29/36/30/1067293630.db2.gz HHRCJEJXSQCFNR-RUZDIDTESA-N 0 0 458.558 4.671 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC001459322712 1067294436 /nfs/dbraw/zinc/29/44/36/1067294436.db2.gz BZTZQQSMJIEWMD-UHFFFAOYSA-N 0 0 453.564 4.928 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001459323536 1067295024 /nfs/dbraw/zinc/29/50/24/1067295024.db2.gz MVSMAPMEGPTIOT-OAHLLOKOSA-N 0 0 459.955 4.520 20 0 JJADRN COc1cccc2c1nc(NC(=O)c1cccc(COc3ccc(CCC(C)=O)cc3)c1)n2C ZINC001459325899 1067295372 /nfs/dbraw/zinc/29/53/72/1067295372.db2.gz GJFHKFVMKYZHSP-UHFFFAOYSA-N 0 0 457.530 4.935 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCOC(C)(C)C2)O1 ZINC001546049292 1067295413 /nfs/dbraw/zinc/29/54/13/1067295413.db2.gz XWGUAMVRGIQLIJ-KSFYIVLOSA-N 0 0 481.410 4.810 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC001459325099 1067295424 /nfs/dbraw/zinc/29/54/24/1067295424.db2.gz KMGPBMALCBULNC-UHFFFAOYSA-N 0 0 452.301 4.716 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001459325837 1067295447 /nfs/dbraw/zinc/29/54/47/1067295447.db2.gz GKRLZCOJHGOSTQ-AREMUKBSSA-N 0 0 451.567 4.592 20 0 JJADRN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cccnc1Oc1ccc(Br)cc1 ZINC001459326018 1067295458 /nfs/dbraw/zinc/29/54/58/1067295458.db2.gz HUVCYTQNOPBECB-UHFFFAOYSA-N 0 0 456.271 4.913 20 0 JJADRN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC001453309721 1067295770 /nfs/dbraw/zinc/29/57/70/1067295770.db2.gz BFTKEZMFUNQWJH-UHFFFAOYSA-N 0 0 456.399 4.946 20 0 JJADRN COc1cccc(NC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)c1Br ZINC001459329220 1067295962 /nfs/dbraw/zinc/29/59/62/1067295962.db2.gz XBOVSIOMYBVEFO-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC001453310197 1067296330 /nfs/dbraw/zinc/29/63/30/1067296330.db2.gz DGEORZUEOKCHSM-RBUKOAKNSA-N 0 0 458.605 4.632 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)O1 ZINC001459328814 1067296469 /nfs/dbraw/zinc/29/64/69/1067296469.db2.gz PWRCKIQBICWURE-LJQANCHMSA-N 0 0 454.368 4.989 20 0 JJADRN O=C(Nc1ccc(O)cc1Cl)c1cc(Br)cc(I)c1 ZINC001453314915 1067296864 /nfs/dbraw/zinc/29/68/64/1067296864.db2.gz LQFHDLNHVJEMPI-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ncccc3NCC3CCC3)CC2)C1 ZINC001453321822 1067297270 /nfs/dbraw/zinc/29/72/70/1067297270.db2.gz GLFVCDUGWSVWCP-OAQYLSRUSA-N 0 0 456.631 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ncccc3NCC3CCC3)CC2)C1 ZINC001453321819 1067297292 /nfs/dbraw/zinc/29/72/92/1067297292.db2.gz GLFVCDUGWSVWCP-NRFANRHFSA-N 0 0 456.631 4.793 20 0 JJADRN Cn1ncc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1-c1ccccc1 ZINC001453320727 1067297335 /nfs/dbraw/zinc/29/73/35/1067297335.db2.gz FGVKKOLBWAUTSV-OAQYLSRUSA-N 0 0 452.599 4.586 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)CC2 ZINC001459333635 1067297404 /nfs/dbraw/zinc/29/74/04/1067297404.db2.gz SCNZYKWNEFDUQI-QGZVFWFLSA-N 0 0 454.361 4.532 20 0 JJADRN Cn1cc(CCC(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c2ccccc21 ZINC001453327584 1067297667 /nfs/dbraw/zinc/29/76/67/1067297667.db2.gz BJUPEAJUBJBLJX-OAQYLSRUSA-N 0 0 453.627 4.997 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459338172 1067297994 /nfs/dbraw/zinc/29/79/94/1067297994.db2.gz RUSHSQADYAFQCR-HXUWFJFHSA-N 0 0 452.320 4.503 20 0 JJADRN CCOc1cc(/C=C\C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1O ZINC001453329024 1067298106 /nfs/dbraw/zinc/29/81/06/1067298106.db2.gz DLLNQBSACSRAGM-FYJQUHEMSA-N 0 0 458.599 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc43)C2)CC1 ZINC001453329329 1067298128 /nfs/dbraw/zinc/29/81/28/1067298128.db2.gz CEANHEWBTRXWQZ-QGZVFWFLSA-N 0 0 457.546 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001453334604 1067298594 /nfs/dbraw/zinc/29/85/94/1067298594.db2.gz YKJNKXKWXWHCSR-GOSISDBHSA-N 0 0 451.405 4.948 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001453333893 1067298628 /nfs/dbraw/zinc/29/86/28/1067298628.db2.gz LLTOPCSABMLWOO-NRFANRHFSA-N 0 0 452.599 4.680 20 0 JJADRN Cc1nc(CSCC(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cs1 ZINC001453335008 1067298636 /nfs/dbraw/zinc/29/86/36/1067298636.db2.gz IMRKDFYRTKVCGI-SFHVURJKSA-N 0 0 453.674 4.570 20 0 JJADRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001453340678 1067298990 /nfs/dbraw/zinc/29/89/90/1067298990.db2.gz YAFPKBDHFVGOAI-LJQANCHMSA-N 0 0 453.583 4.748 20 0 JJADRN Cc1cc(C)cc(OCc2noc(CN3CCO[C@H](c4ccc(Br)cc4)C3)n2)c1 ZINC001459346788 1067299504 /nfs/dbraw/zinc/29/95/04/1067299504.db2.gz FKOZECWMPCQNMN-FQEVSTJZSA-N 0 0 458.356 4.601 20 0 JJADRN CC(C)(C)Cc1ncc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)s1 ZINC001453364594 1067301014 /nfs/dbraw/zinc/30/10/14/1067301014.db2.gz HVGUMUIFJCCLST-ABAIWWIYSA-N 0 0 450.240 4.700 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1Cl ZINC001459351205 1067301133 /nfs/dbraw/zinc/30/11/33/1067301133.db2.gz CWOZVIPNSOTNNZ-HZPDHXFCSA-N 0 0 459.926 4.514 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N(C)Cc1cccc(Br)c1 ZINC001459350929 1067301273 /nfs/dbraw/zinc/30/12/73/1067301273.db2.gz YIZFAPCQPNKSFB-ZDUSSCGKSA-N 0 0 453.402 4.709 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)C1 ZINC001453366460 1067301558 /nfs/dbraw/zinc/30/15/58/1067301558.db2.gz BFDDCSSWTVUMET-LSDHHAIUSA-N 0 0 469.891 4.525 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)cc2)c(OC)c1 ZINC001453369284 1067301643 /nfs/dbraw/zinc/30/16/43/1067301643.db2.gz JCOJRHODBXVELN-UHFFFAOYSA-N 0 0 457.571 4.823 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 ZINC001459352283 1067301552 /nfs/dbraw/zinc/30/15/52/1067301552.db2.gz IQSRODWKGNVLLK-AWEZNQCLSA-N 0 0 455.732 4.690 20 0 JJADRN COC(=O)c1ccc(OC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1Cl ZINC001459354298 1067301669 /nfs/dbraw/zinc/30/16/69/1067301669.db2.gz SGGMVUVOMYKITR-SFHVURJKSA-N 0 0 452.732 4.632 20 0 JJADRN C[C@]12CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C[C@H]1C2(Br)Br ZINC001453372394 1067301842 /nfs/dbraw/zinc/30/18/42/1067301842.db2.gz VKBDWAIXJSEAKQ-FTBFGRRBSA-N 0 0 453.627 4.860 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)n1 ZINC001453382579 1067302452 /nfs/dbraw/zinc/30/24/52/1067302452.db2.gz QPGDCNHEPGOSQI-UHFFFAOYSA-N 0 0 453.833 4.722 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c1 ZINC001453378840 1067302463 /nfs/dbraw/zinc/30/24/63/1067302463.db2.gz JKTAMURNWVDHHD-UHFFFAOYSA-N 0 0 458.465 4.955 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cncc4c3CCCC4)cc2)c1C(F)(F)F ZINC001453380589 1067302572 /nfs/dbraw/zinc/30/25/72/1067302572.db2.gz MYVCWELCMWIFIP-UHFFFAOYSA-N 0 0 458.440 4.594 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n1 ZINC001453384814 1067302629 /nfs/dbraw/zinc/30/26/29/1067302629.db2.gz ZLYPJHRSWLYXAR-UHFFFAOYSA-N 0 0 454.712 4.832 20 0 JJADRN Cc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)c(I)cc1Cl ZINC001459359458 1067302682 /nfs/dbraw/zinc/30/26/82/1067302682.db2.gz VFZBKFQLDKJAAQ-UHFFFAOYSA-N 0 0 452.723 4.882 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC001459361199 1067303044 /nfs/dbraw/zinc/30/30/44/1067303044.db2.gz BINZAYRLYQNDSU-INIZCTEOSA-N 0 0 454.995 4.760 20 0 JJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN(C)Cc1c(Cl)cccc1Cl ZINC001459362845 1067303355 /nfs/dbraw/zinc/30/33/55/1067303355.db2.gz GEORMTNOPJOPAY-UHFFFAOYSA-N 0 0 457.379 4.813 20 0 JJADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)CC1 ZINC001459363431 1067303596 /nfs/dbraw/zinc/30/35/96/1067303596.db2.gz IKEPGEDDUGORQK-MRXNPFEDSA-N 0 0 459.612 4.758 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(C)nc1Br ZINC001453398881 1067303935 /nfs/dbraw/zinc/30/39/35/1067303935.db2.gz KVSXWLKTJUTOKI-HNNXBMFYSA-N 0 0 454.162 4.901 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC001459365875 1067304452 /nfs/dbraw/zinc/30/44/52/1067304452.db2.gz LZWJRUBQKMJEFV-OAHLLOKOSA-N 0 0 456.417 4.713 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050696 1067304988 /nfs/dbraw/zinc/30/49/88/1067304988.db2.gz ANLHZODYNQTWRL-ANSQWYIGSA-N 0 0 487.620 4.878 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546051287 1067305025 /nfs/dbraw/zinc/30/50/25/1067305025.db2.gz IVNMZTYOQGXWGQ-RLWLMLJZSA-N 0 0 453.631 4.893 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050799 1067305229 /nfs/dbraw/zinc/30/52/29/1067305229.db2.gz BSIKWWOEQVQYOP-NNPDTBDGSA-N 0 0 461.651 4.729 20 0 JJADRN CCC1(CC)CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)C1 ZINC001453420728 1067305287 /nfs/dbraw/zinc/30/52/87/1067305287.db2.gz WCKSVWAZHOINFL-UHFFFAOYSA-N 0 0 456.446 4.964 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050798 1067305343 /nfs/dbraw/zinc/30/53/43/1067305343.db2.gz BSIKWWOEQVQYOP-KHOMTPLRSA-N 0 0 461.651 4.729 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050797 1067305412 /nfs/dbraw/zinc/30/54/12/1067305412.db2.gz BSIKWWOEQVQYOP-JVFUWBCBSA-N 0 0 461.651 4.729 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cccc(Br)c1 ZINC001459371075 1067305683 /nfs/dbraw/zinc/30/56/83/1067305683.db2.gz PPTHLACFYIWEIU-UHFFFAOYSA-N 0 0 458.400 4.582 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CO1 ZINC001459373742 1067306248 /nfs/dbraw/zinc/30/62/48/1067306248.db2.gz XFWILDOTEUGTFK-QXATTWAWSA-N 0 0 459.480 4.630 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CO1 ZINC001459373738 1067306256 /nfs/dbraw/zinc/30/62/56/1067306256.db2.gz XFWILDOTEUGTFK-LDJQZATESA-N 0 0 459.480 4.630 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)O1 ZINC001546050967 1067306235 /nfs/dbraw/zinc/30/62/35/1067306235.db2.gz DXURFVBTLRMSIT-IQGLISFBSA-N 0 0 487.551 4.934 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546051004 1067306394 /nfs/dbraw/zinc/30/63/94/1067306394.db2.gz FLZKPKLXBQDGQQ-HFZDXXHNSA-N 0 0 465.598 4.650 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1)c1ccccc1 ZINC001459372748 1067306327 /nfs/dbraw/zinc/30/63/27/1067306327.db2.gz IABHOELYGFZILZ-QGZVFWFLSA-N 0 0 454.979 4.973 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)CSc1nccn1-c1cccc(Cl)c1C)CCC2 ZINC001453444606 1067306894 /nfs/dbraw/zinc/30/68/94/1067306894.db2.gz RNUXMUMUOFFLFQ-UHFFFAOYSA-N 0 0 457.983 4.923 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)O1 ZINC001546051557 1067307164 /nfs/dbraw/zinc/30/71/64/1067307164.db2.gz LWBWXHNYUBKDIM-DCFHFQCYSA-N 0 0 498.672 4.880 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1OCCC ZINC001453458186 1067307364 /nfs/dbraw/zinc/30/73/64/1067307364.db2.gz BBJCGLLJJXUSFM-RPWUZVMVSA-N 0 0 451.563 4.529 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCc2sc(Br)cc2C1 ZINC001453476629 1067307757 /nfs/dbraw/zinc/30/77/57/1067307757.db2.gz HZQLJZUSFHXKBW-CQSZACIVSA-N 0 0 457.802 4.552 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC001453479069 1067308198 /nfs/dbraw/zinc/30/81/98/1067308198.db2.gz MGQUFKFANZMVII-YADHBBJMSA-N 0 0 454.542 4.551 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001459379350 1067308186 /nfs/dbraw/zinc/30/81/86/1067308186.db2.gz XGTDHVFHAGYFOD-UHFFFAOYSA-N 0 0 457.405 4.640 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001459379070 1067308323 /nfs/dbraw/zinc/30/83/23/1067308323.db2.gz SFQVSKZHPMQHJP-NRFANRHFSA-N 0 0 452.558 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3c(c2)COC(=O)N3)(c2ccccc2)CC1 ZINC001453490857 1067308955 /nfs/dbraw/zinc/30/89/55/1067308955.db2.gz DECWZFWRCDKHRB-UHFFFAOYSA-N 0 0 451.523 4.656 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCc3sc(Br)cc3C1)O2 ZINC001453489055 1067308966 /nfs/dbraw/zinc/30/89/66/1067308966.db2.gz HKVYYZHCSLZWBS-NRFANRHFSA-N 0 0 450.398 4.810 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1NC(=O)N(C)C ZINC001459383372 1067309536 /nfs/dbraw/zinc/30/95/36/1067309536.db2.gz WNKIXZHKIGYDSE-UHFFFAOYSA-N 0 0 455.150 4.866 20 0 JJADRN Cn1ccc(C(=O)NCc2ccc(I)cc2Cl)c1-c1ccccc1 ZINC001459383505 1067309786 /nfs/dbraw/zinc/30/97/86/1067309786.db2.gz CNTGHJXIYXQBLW-UHFFFAOYSA-N 0 0 450.707 4.880 20 0 JJADRN CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001453509693 1067309889 /nfs/dbraw/zinc/30/98/89/1067309889.db2.gz WGCGDRUSVLFYLB-FQEVSTJZSA-N 0 0 450.938 4.972 20 0 JJADRN Cc1ccc(C[C@H]2CCCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2)cc1 ZINC001459393478 1067311985 /nfs/dbraw/zinc/31/19/85/1067311985.db2.gz OFHHSRFBJXVGFR-DENIHFKCSA-N 0 0 459.512 4.556 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCC([C@H]3CCCCO3)CC2)[C@@H]1c1ccccc1OC ZINC001453537724 1067312133 /nfs/dbraw/zinc/31/21/33/1067312133.db2.gz YUQTVEMEGKLGBT-ZEVJAHDQSA-N 0 0 456.627 4.583 20 0 JJADRN CCC(C)(C)OC1CN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001453536998 1067312162 /nfs/dbraw/zinc/31/21/62/1067312162.db2.gz XCXRBMKMSCLFHD-UHFFFAOYSA-N 0 0 454.571 4.582 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CC[C@@H]1C(F)(F)F ZINC001453545197 1067312797 /nfs/dbraw/zinc/31/27/97/1067312797.db2.gz NVIMCONGVSQFON-QAPCUYQASA-N 0 0 458.496 4.799 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C3)cc21 ZINC001453543682 1067312831 /nfs/dbraw/zinc/31/28/31/1067312831.db2.gz MPGPLVAZLPDQMT-HIFRSBDPSA-N 0 0 457.468 4.781 20 0 JJADRN CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1S(C)(=O)=O ZINC001459399643 1067313006 /nfs/dbraw/zinc/31/30/06/1067313006.db2.gz DDGHRILEFZWZRH-UHFFFAOYSA-N 0 0 450.276 4.686 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Br)cc2)O1 ZINC001546052621 1067313240 /nfs/dbraw/zinc/31/32/40/1067313240.db2.gz ZORXRASTLZZVAM-CVDCTZTESA-N 0 0 485.430 4.524 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1CCCS(=O)(=O)c1ccc(C)cc1 ZINC001459398143 1067313306 /nfs/dbraw/zinc/31/33/06/1067313306.db2.gz LRSVTHZETOXIFI-FQEVSTJZSA-N 0 0 452.414 4.767 20 0 JJADRN CCOc1cccc(/C=C\C(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453550553 1067313672 /nfs/dbraw/zinc/31/36/72/1067313672.db2.gz VJHNUTXLVWHSPD-OSZLDNFMSA-N 0 0 456.505 4.650 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C3)c21 ZINC001453552590 1067314039 /nfs/dbraw/zinc/31/40/39/1067314039.db2.gz YSPNTMZVVSLWIL-SJORKVTESA-N 0 0 453.505 4.571 20 0 JJADRN CCCC(C)(C)N(Cc1cccs1)C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC001459403226 1067314112 /nfs/dbraw/zinc/31/41/12/1067314112.db2.gz MYRVKZFIWQKILZ-UHFFFAOYSA-N 0 0 452.567 4.914 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC001453551783 1067314122 /nfs/dbraw/zinc/31/41/22/1067314122.db2.gz SFCPRKOFYURXHJ-KRWDZBQOSA-N 0 0 452.348 4.613 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459402041 1067314236 /nfs/dbraw/zinc/31/42/36/1067314236.db2.gz BVXYITDACMRLKS-MJGOQNOKSA-N 0 0 458.628 4.777 20 0 JJADRN COc1ccccc1C(C)(C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453552596 1067314550 /nfs/dbraw/zinc/31/45/50/1067314550.db2.gz YUPYDJYGGAFPCC-HOTGVXAUSA-N 0 0 458.521 4.525 20 0 JJADRN CC(C)Nc1cc(Br)ccc1NC(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001453569308 1067314903 /nfs/dbraw/zinc/31/49/03/1067314903.db2.gz WRELLPOMWKTLGU-UHFFFAOYSA-N 0 0 452.715 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(OCc3ccccc3)ccn2)C1 ZINC001453573475 1067315365 /nfs/dbraw/zinc/31/53/65/1067315365.db2.gz BSAAAGYQFZNHIR-UKILVPOCSA-N 0 0 473.573 4.794 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C ZINC001459410340 1067315710 /nfs/dbraw/zinc/31/57/10/1067315710.db2.gz BTQFKOUISLABRO-UHFFFAOYSA-N 0 0 453.564 4.588 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1Cl ZINC001453582147 1067315983 /nfs/dbraw/zinc/31/59/83/1067315983.db2.gz WOHNVQJMLDEHMZ-PZJWPPBQSA-N 0 0 474.001 4.903 20 0 JJADRN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)[nH]n2)c1 ZINC001453581770 1067316227 /nfs/dbraw/zinc/31/62/27/1067316227.db2.gz NCKOAUGBZXLPPR-VGOFRKELSA-N 0 0 456.587 4.631 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)c1 ZINC001459411394 1067316126 /nfs/dbraw/zinc/31/61/26/1067316126.db2.gz CUBBKNXRFDAOIN-UHFFFAOYSA-N 0 0 451.494 4.781 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001546108694 1067316252 /nfs/dbraw/zinc/31/62/52/1067316252.db2.gz JCQSHUAQNZRTGL-RTBURBONSA-N 0 0 497.631 4.833 20 0 JJADRN C[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453582686 1067316642 /nfs/dbraw/zinc/31/66/42/1067316642.db2.gz VFZPOFCLHHHELZ-KGLIPLIRSA-N 0 0 450.377 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001453590389 1067316956 /nfs/dbraw/zinc/31/69/56/1067316956.db2.gz BJFZYVOODIFQSR-SFHLNBCPSA-N 0 0 476.495 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001453590378 1067317135 /nfs/dbraw/zinc/31/71/35/1067317135.db2.gz BJFZYVOODIFQSR-QKNQBKEWSA-N 0 0 476.495 4.572 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc(Br)ccc2Cl)[C@H](C)C1 ZINC001459413399 1067317487 /nfs/dbraw/zinc/31/74/87/1067317487.db2.gz FTCRSLRMDNXBGV-OAHLLOKOSA-N 0 0 451.792 4.848 20 0 JJADRN C[C@H]1CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC[C@H]1C(=O)OC(C)(C)C ZINC001453602676 1067317882 /nfs/dbraw/zinc/31/78/82/1067317882.db2.gz XGGKWMVRNQIQLA-FXAWDEMLSA-N 0 0 455.574 4.856 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001453603900 1067317970 /nfs/dbraw/zinc/31/79/70/1067317970.db2.gz CRRFTDUTAULQKT-ZVDOUQERSA-N 0 0 473.614 4.565 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c(OC)c1 ZINC001459414963 1067318461 /nfs/dbraw/zinc/31/84/61/1067318461.db2.gz NADXYDOCZBSBAW-DYESRHJHSA-N 0 0 450.457 4.579 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001459415594 1067318491 /nfs/dbraw/zinc/31/84/91/1067318491.db2.gz RXYMNTILUWGERJ-IBGZPJMESA-N 0 0 450.333 4.591 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Cl)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453610621 1067319085 /nfs/dbraw/zinc/31/90/85/1067319085.db2.gz RZPWPCFUVPCEGG-CQSZACIVSA-N 0 0 451.316 4.575 20 0 JJADRN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453616391 1067319151 /nfs/dbraw/zinc/31/91/51/1067319151.db2.gz ZIDJTVNHBFBAFA-HNNXBMFYSA-N 0 0 455.908 4.783 20 0 JJADRN COc1ccc(Nc2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)c2)cc1 ZINC001453608075 1067319225 /nfs/dbraw/zinc/31/92/25/1067319225.db2.gz PXGDDDOOFAPNQA-UHFFFAOYSA-N 0 0 459.955 4.595 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Oc2cc(F)c(Cl)cc2Br)CC1=O ZINC001459417109 1067319178 /nfs/dbraw/zinc/31/91/78/1067319178.db2.gz JEEURHYUKWTVDB-NSHDSACASA-N 0 0 456.695 4.517 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546053623 1067319361 /nfs/dbraw/zinc/31/93/61/1067319361.db2.gz DAZRBLDZDZVMIY-DVECYGJZSA-N 0 0 497.631 4.976 20 0 JJADRN CC(C)(C)OC(=O)c1ccnc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC001453622099 1067319437 /nfs/dbraw/zinc/31/94/37/1067319437.db2.gz WUMQGKXRXFPTSI-UHFFFAOYSA-N 0 0 459.546 4.661 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@@H](C)C1 ZINC001459418322 1067319496 /nfs/dbraw/zinc/31/94/96/1067319496.db2.gz YPYYTYIMLJVHBU-QFIPXVFZSA-N 0 0 459.590 4.714 20 0 JJADRN CC(C)COC(=O)N1CCCN(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC001459418483 1067319692 /nfs/dbraw/zinc/31/96/92/1067319692.db2.gz LESYYWDFPQLEDE-UHFFFAOYSA-N 0 0 459.974 4.871 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cn(C)nc1-c1ccco1)NC(=O)OC(C)(C)C ZINC001453634290 1067319908 /nfs/dbraw/zinc/31/99/08/1067319908.db2.gz MVUSIWJEVOVGAG-KRWDZBQOSA-N 0 0 454.527 4.673 20 0 JJADRN COc1cc2cc(C(=O)N[C@@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)[nH]c2cc1OC ZINC001453634449 1067319971 /nfs/dbraw/zinc/31/99/71/1067319971.db2.gz FNCKJNJHHUUKNC-GOSISDBHSA-N 0 0 451.523 4.949 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC001459419675 1067319858 /nfs/dbraw/zinc/31/98/58/1067319858.db2.gz OJYXRONGKHKYGW-NRFANRHFSA-N 0 0 459.384 4.722 20 0 JJADRN CCCOc1cncc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 ZINC001453632481 1067320113 /nfs/dbraw/zinc/32/01/13/1067320113.db2.gz JTESGRJOVXNLAL-UHFFFAOYSA-N 0 0 459.955 4.885 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001453646046 1067320340 /nfs/dbraw/zinc/32/03/40/1067320340.db2.gz XVOFLNGQYOSPIN-QGZVFWFLSA-N 0 0 451.445 4.932 20 0 JJADRN COCCCCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(Br)cn1 ZINC001459423403 1067321441 /nfs/dbraw/zinc/32/14/41/1067321441.db2.gz ASLLIESQEZZQAB-OAHLLOKOSA-N 0 0 453.402 4.793 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 ZINC001453684592 1067321765 /nfs/dbraw/zinc/32/17/65/1067321765.db2.gz WDWLVJJUQPURKA-VBKZILBWSA-N 0 0 478.902 4.788 20 0 JJADRN O=C(CN1CCc2c(Br)cccc2C1)Nc1ccc(Br)cc1Cl ZINC001459423987 1067321745 /nfs/dbraw/zinc/32/17/45/1067321745.db2.gz XHSMWXXDAMERMS-UHFFFAOYSA-N 0 0 458.581 4.862 20 0 JJADRN NC(=O)[C@H](c1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459423528 1067321881 /nfs/dbraw/zinc/32/18/81/1067321881.db2.gz OUYGWADYLNSVGE-DEOSSOPVSA-N 0 0 454.401 4.927 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)NCCOc2ccc(I)cc2)cc1 ZINC001459424588 1067322315 /nfs/dbraw/zinc/32/23/15/1067322315.db2.gz LHGXAUUXNZPHRW-UHFFFAOYSA-N 0 0 451.348 4.618 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453686351 1067322320 /nfs/dbraw/zinc/32/23/20/1067322320.db2.gz JDVHGMQVBODCKL-CDIGIKMISA-N 0 0 479.621 4.746 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC001453690000 1067322601 /nfs/dbraw/zinc/32/26/01/1067322601.db2.gz QQWIWIYCXXOWGV-UHFFFAOYSA-N 0 0 455.287 4.746 20 0 JJADRN COCCCCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(Br)cn1 ZINC001459426116 1067322721 /nfs/dbraw/zinc/32/27/21/1067322721.db2.gz JBIGVGKYXYDALV-UHFFFAOYSA-N 0 0 458.356 4.810 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459427454 1067322938 /nfs/dbraw/zinc/32/29/38/1067322938.db2.gz SKLMJUJDBDSTAY-DCFHFQCYSA-N 0 0 452.595 4.808 20 0 JJADRN C[C@@](CO)(NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(C(F)(F)F)c1 ZINC001453697943 1067323177 /nfs/dbraw/zinc/32/31/77/1067323177.db2.gz KWGNWIPVWDXYSG-NRFANRHFSA-N 0 0 452.379 4.808 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2-c2ccc(Cl)cc2)cc1 ZINC001453693470 1067323334 /nfs/dbraw/zinc/32/33/34/1067323334.db2.gz JEJSJOPFQQOMLO-OAHLLOKOSA-N 0 0 458.971 4.546 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 ZINC001459428974 1067323486 /nfs/dbraw/zinc/32/34/86/1067323486.db2.gz WMFZAZRSNHIQJQ-QFIPXVFZSA-N 0 0 455.521 4.683 20 0 JJADRN C[C@@](CO)(NC(=O)Cc1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453698110 1067323640 /nfs/dbraw/zinc/32/36/40/1067323640.db2.gz LRGXGXITFNJEMH-KRWDZBQOSA-N 0 0 450.682 4.688 20 0 JJADRN CC(C)(C)OC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 ZINC001459429208 1067323844 /nfs/dbraw/zinc/32/38/44/1067323844.db2.gz XSKFLKIBULWLNB-GOSISDBHSA-N 0 0 452.979 4.582 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2scnc2C)O1 ZINC001546054037 1067324083 /nfs/dbraw/zinc/32/40/83/1067324083.db2.gz IWPKUCLVODJYFR-YADARESESA-N 0 0 455.628 4.627 20 0 JJADRN FC(F)(Br)CN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001459429801 1067324211 /nfs/dbraw/zinc/32/42/11/1067324211.db2.gz ZYNXTAUIAWFXJA-UHFFFAOYSA-N 0 0 452.059 4.578 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546108867 1067324328 /nfs/dbraw/zinc/32/43/28/1067324328.db2.gz MNEPPVZLUSEQLV-VQTJNVASSA-N 0 0 461.651 4.936 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nccc(C(F)F)n2)C1 ZINC001546108887 1067324555 /nfs/dbraw/zinc/32/45/55/1067324555.db2.gz NFPPBCVOJIDBHO-UHFFFAOYSA-N 0 0 462.495 4.940 20 0 JJADRN CSCCCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001453734565 1067324889 /nfs/dbraw/zinc/32/48/89/1067324889.db2.gz IBRAWSPFAVSMCM-UHFFFAOYSA-N 0 0 456.450 4.875 20 0 JJADRN O=C(c1c(Cl)ccc(I)c1F)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC001453733588 1067324966 /nfs/dbraw/zinc/32/49/66/1067324966.db2.gz IIGHWLNZEZMPON-INIZCTEOSA-N 0 0 456.686 4.846 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001459435878 1067324995 /nfs/dbraw/zinc/32/49/95/1067324995.db2.gz HZUJECWVJPXJGO-GFCCVEGCSA-N 0 0 458.748 4.571 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC001459436068 1067325091 /nfs/dbraw/zinc/32/50/91/1067325091.db2.gz IWWHHVCTTDLVOM-UHFFFAOYSA-N 0 0 451.929 4.689 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 ZINC001459435999 1067325103 /nfs/dbraw/zinc/32/51/03/1067325103.db2.gz IRNNEJPBNMLSAP-OAHLLOKOSA-N 0 0 452.357 4.534 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)o1 ZINC001453739747 1067325520 /nfs/dbraw/zinc/32/55/20/1067325520.db2.gz OUSONBOCENFVLO-IBGZPJMESA-N 0 0 458.555 4.585 20 0 JJADRN Cc1ccc2[nH]c(C(=O)NC3CCN(C(=O)Nc4ccc(Br)cc4)CC3)cc2c1 ZINC001453738624 1067325644 /nfs/dbraw/zinc/32/56/44/1067325644.db2.gz PHIMIXYXSVGLKB-UHFFFAOYSA-N 0 0 455.356 4.665 20 0 JJADRN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CC[NH2+][C@H](C(C)C)C3)cc12 ZINC001453742192 1067325859 /nfs/dbraw/zinc/32/58/59/1067325859.db2.gz ZZXVCKHBZFXTFL-SFHVURJKSA-N 0 0 451.423 4.831 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC001453742164 1067326079 /nfs/dbraw/zinc/32/60/79/1067326079.db2.gz VCJKBHJFBDOZQO-NRFANRHFSA-N 0 0 455.603 4.607 20 0 JJADRN CC/C(=C/C(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001453744910 1067326428 /nfs/dbraw/zinc/32/64/28/1067326428.db2.gz SBLUMCCUGDCCCZ-SRNWCRMJSA-N 0 0 454.368 4.890 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001453742336 1067326547 /nfs/dbraw/zinc/32/65/47/1067326547.db2.gz VUJNCRBVOPWOSK-KRWDZBQOSA-N 0 0 451.539 4.806 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN1CCC([C@@H](O)c3ccc(Cl)cc3)CC1)n2CC ZINC001459453603 1067326716 /nfs/dbraw/zinc/32/67/16/1067326716.db2.gz IXEPLIKUFZMKDA-DEOSSOPVSA-N 0 0 455.986 4.832 20 0 JJADRN COc1cc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c(OC)cc1Cl ZINC001459452110 1067326892 /nfs/dbraw/zinc/32/68/92/1067326892.db2.gz MMLSTDUKQZDIKN-GOSISDBHSA-N 0 0 456.930 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)C1 ZINC001459452819 1067326997 /nfs/dbraw/zinc/32/69/97/1067326997.db2.gz AZDKIGDRZLRWCC-FQEVSTJZSA-N 0 0 459.537 4.805 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)O1 ZINC001546054483 1067327131 /nfs/dbraw/zinc/32/71/31/1067327131.db2.gz OUGPGQOYCVMRRR-WIOPSUGQSA-N 0 0 454.018 4.944 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccn(-c2ccc(Br)cc2)n1 ZINC001459453911 1067327455 /nfs/dbraw/zinc/32/74/55/1067327455.db2.gz UHXFQCNBTRUEBQ-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546054632 1067327432 /nfs/dbraw/zinc/32/74/32/1067327432.db2.gz PXISLCMCIDAEEA-FIPFOOKPSA-N 0 0 490.652 4.612 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546054633 1067327466 /nfs/dbraw/zinc/32/74/66/1067327466.db2.gz PXISLCMCIDAEEA-LXFBAYGMSA-N 0 0 490.652 4.612 20 0 JJADRN O=C1[C@@H](N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455512 1067327655 /nfs/dbraw/zinc/32/76/55/1067327655.db2.gz LKPGLJOKVLKPKO-SFTDATJTSA-N 0 0 452.904 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC001453763701 1067327559 /nfs/dbraw/zinc/32/75/59/1067327559.db2.gz ABVXYTCXQHDPFA-MSOLQXFVSA-N 0 0 455.368 4.538 20 0 JJADRN O[C@H]([C@@H]1CCCN1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455874 1067328135 /nfs/dbraw/zinc/32/81/35/1067328135.db2.gz MRFVYZSYRBKYPO-DOTOQJQBSA-N 0 0 456.262 4.540 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001453768753 1067328464 /nfs/dbraw/zinc/32/84/64/1067328464.db2.gz FVENGCCVHCJHQO-UHFFFAOYSA-N 0 0 450.783 4.721 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546054761 1067328489 /nfs/dbraw/zinc/32/84/89/1067328489.db2.gz SAILWLLCMHNINK-MPCDZSKCSA-N 0 0 463.667 4.565 20 0 JJADRN O=C(Nc1n[nH]cc1I)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001453772005 1067328654 /nfs/dbraw/zinc/32/86/54/1067328654.db2.gz CBNQAKQLQMMKDE-MNOVXSKESA-N 0 0 452.321 4.537 20 0 JJADRN C[C@@H]1CC[C@H](CCC(=O)N2CCCn3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc32)O1 ZINC001453775057 1067329224 /nfs/dbraw/zinc/32/92/24/1067329224.db2.gz NCBGSGWYWFURAX-YLJYHZDGSA-N 0 0 454.571 4.982 20 0 JJADRN C[C@@H](C(=O)OCc1nc(-c2ccccn2)cs1)c1ccc(I)cc1 ZINC001459461071 1067329318 /nfs/dbraw/zinc/32/93/18/1067329318.db2.gz OXDGPAUSMFINRW-GFCCVEGCSA-N 0 0 450.301 4.657 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001453788134 1067329881 /nfs/dbraw/zinc/32/98/81/1067329881.db2.gz SUTCLVOQWYHNQB-MZNJEOGPSA-N 0 0 458.628 4.731 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001453788148 1067329914 /nfs/dbraw/zinc/32/99/14/1067329914.db2.gz SUTCLVOQWYHNQB-XDHUDOTRSA-N 0 0 458.628 4.731 20 0 JJADRN C[C@@]1(C(F)F)CN(C(=O)c2cccnc2SCc2cccc(Br)c2)CCO1 ZINC001453813601 1067330041 /nfs/dbraw/zinc/33/00/41/1067330041.db2.gz MKHKIMYUKIRCEV-IBGZPJMESA-N 0 0 457.340 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)C1 ZINC001453820409 1067331070 /nfs/dbraw/zinc/33/10/70/1067331070.db2.gz LADHZZFZLMMSNR-XMSQKQJNSA-N 0 0 458.496 4.834 20 0 JJADRN COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466253 1067331295 /nfs/dbraw/zinc/33/12/95/1067331295.db2.gz KSMAPHUTTJLSPY-UHFFFAOYSA-N 0 0 450.457 4.755 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)[C@H](c2cccc(F)c2)C1 ZINC001459466490 1067331388 /nfs/dbraw/zinc/33/13/88/1067331388.db2.gz NNLADVWMIRMNIO-CZJMCEMMSA-N 0 0 458.574 4.732 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC001453831326 1067331274 /nfs/dbraw/zinc/33/12/74/1067331274.db2.gz YZWMABXOUDTDLJ-HXUWFJFHSA-N 0 0 452.558 4.755 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3OC(C)(C)CC4)c2)C1 ZINC001453845593 1067332359 /nfs/dbraw/zinc/33/23/59/1067332359.db2.gz ZMVLOORDLIPYQO-QZTJIDSGSA-N 0 0 456.608 4.709 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC([C@@H](O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC001459468565 1067332255 /nfs/dbraw/zinc/33/22/55/1067332255.db2.gz RHIHASUSQFULSS-VWLOTQADSA-N 0 0 453.583 4.717 20 0 JJADRN C[C@H](C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Br)cc1 ZINC001459469371 1067332675 /nfs/dbraw/zinc/33/26/75/1067332675.db2.gz NZCWZICOGRRYKL-AOMKIAJQSA-N 0 0 451.405 4.802 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459469148 1067332836 /nfs/dbraw/zinc/33/28/36/1067332836.db2.gz NPLJIJCVBQQJQC-HYBUGGRVSA-N 0 0 451.007 4.993 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C ZINC001453872843 1067333091 /nfs/dbraw/zinc/33/30/91/1067333091.db2.gz WDYFCIBDRRCKCH-ITWXOWHISA-N 0 0 452.636 4.556 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001459469928 1067333220 /nfs/dbraw/zinc/33/32/20/1067333220.db2.gz OTCLRTPIVNRQBG-RUZDIDTESA-N 0 0 459.587 4.897 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(=O)[nH]c(C(C)C)c2)cc1 ZINC001459471093 1067333314 /nfs/dbraw/zinc/33/33/14/1067333314.db2.gz YWLVSEAAKMMCAK-JOCHJYFZSA-N 0 0 453.583 4.907 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)CCN(C)c1ccccc1 ZINC001459471438 1067333591 /nfs/dbraw/zinc/33/35/91/1067333591.db2.gz YVOXRQNDCVDBTE-QFIPXVFZSA-N 0 0 458.606 4.527 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001453884298 1067333988 /nfs/dbraw/zinc/33/39/88/1067333988.db2.gz BURPWMGKSWASKC-IBGZPJMESA-N 0 0 450.391 4.738 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001453890360 1067334470 /nfs/dbraw/zinc/33/44/70/1067334470.db2.gz OTNQXBVSWAZMQE-QFIPXVFZSA-N 0 0 453.876 4.934 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001453888072 1067334675 /nfs/dbraw/zinc/33/46/75/1067334675.db2.gz HSJSURKDGKOJDA-GOSISDBHSA-N 0 0 452.363 4.749 20 0 JJADRN CCCCCCn1nc(C(=O)Nc2nccnc2-c2ccc(OC)cc2)c2ccccc2c1=O ZINC001459476557 1067334729 /nfs/dbraw/zinc/33/47/29/1067334729.db2.gz HZPWTTWPECOARJ-UHFFFAOYSA-N 0 0 457.534 4.695 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1nnc(/C=C/c3ccco3)s1)N2C(=O)OC(C)(C)C ZINC001453901878 1067334838 /nfs/dbraw/zinc/33/48/38/1067334838.db2.gz BLVPXIIXZWXDQU-DOJUMQAQSA-N 0 0 452.536 4.915 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001453897697 1067335057 /nfs/dbraw/zinc/33/50/57/1067335057.db2.gz WFNHSYUQYRRHEF-IBGZPJMESA-N 0 0 459.358 4.766 20 0 JJADRN CNC(=O)CC1(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)CCCCC1 ZINC001453901774 1067335109 /nfs/dbraw/zinc/33/51/09/1067335109.db2.gz BGNXKNQUWIGJRU-UHFFFAOYSA-N 0 0 450.004 4.500 20 0 JJADRN Cc1c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cnn1-c1ccc(Br)cc1 ZINC001453923899 1067335413 /nfs/dbraw/zinc/33/54/13/1067335413.db2.gz ZMBCTAIKAGUJQZ-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN O=C(CN1CCC(OCCc2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459480013 1067335738 /nfs/dbraw/zinc/33/57/38/1067335738.db2.gz CXOWRWNHUNRGRK-UHFFFAOYSA-N 0 0 452.982 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCOc2ccccc2Cl)[C@@H](c2ccncc2)C1 ZINC001459482568 1067335764 /nfs/dbraw/zinc/33/57/64/1067335764.db2.gz KHZJYSGPADTKHX-HXUWFJFHSA-N 0 0 459.974 4.715 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Oc1ccc2oc(=O)oc2c1 ZINC001459481571 1067336345 /nfs/dbraw/zinc/33/63/45/1067336345.db2.gz QFHDBLXJCTVOLT-GFCCVEGCSA-N 0 0 452.244 4.555 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001459486777 1067336616 /nfs/dbraw/zinc/33/66/16/1067336616.db2.gz RJCLBGXXALWYON-JOCHJYFZSA-N 0 0 454.998 4.952 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cc(F)c(C(F)(F)F)cc3F)CC2)cc1 ZINC001459486078 1067336624 /nfs/dbraw/zinc/33/66/24/1067336624.db2.gz NROALQKBGVPCPO-HNNXBMFYSA-N 0 0 456.455 4.658 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)c2)c(C)c1 ZINC001459484743 1067336693 /nfs/dbraw/zinc/33/66/93/1067336693.db2.gz NAPLXGPGJXXWQZ-FQEVSTJZSA-N 0 0 457.299 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)[C@H](c2ccncc2)C1 ZINC001459485067 1067336777 /nfs/dbraw/zinc/33/67/77/1067336777.db2.gz NMCIGILHNQJUDL-FQEVSTJZSA-N 0 0 454.958 4.579 20 0 JJADRN O=C(CN1CCCCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459488461 1067336920 /nfs/dbraw/zinc/33/69/20/1067336920.db2.gz MCNONYSAYGPDDL-LJQANCHMSA-N 0 0 456.942 4.892 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001459493410 1067337880 /nfs/dbraw/zinc/33/78/80/1067337880.db2.gz WQPMHDSJEOUNFU-FXAWDEMLSA-N 0 0 459.974 4.631 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)CCc1ccccc1C(N)=O ZINC001459504503 1067339744 /nfs/dbraw/zinc/33/97/44/1067339744.db2.gz QAVVCFQDVTVFET-UHFFFAOYSA-N 0 0 457.785 4.996 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC001459505233 1067339974 /nfs/dbraw/zinc/33/99/74/1067339974.db2.gz CEVXVZYQTMOCFS-UHFFFAOYSA-N 0 0 458.562 4.843 20 0 JJADRN O=C(Oc1cc(F)c(Br)cc1Cl)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC001459509565 1067341770 /nfs/dbraw/zinc/34/17/70/1067341770.db2.gz FTURESHOEATPFB-UHFFFAOYSA-N 0 0 454.635 4.887 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(Cl)c3ccncc23)C1 ZINC001459511745 1067341927 /nfs/dbraw/zinc/34/19/27/1067341927.db2.gz JAQYTFGYNIGESP-BXKMTCNYSA-N 0 0 453.926 4.643 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(Cl)c3ccncc23)C1 ZINC001459511751 1067342135 /nfs/dbraw/zinc/34/21/35/1067342135.db2.gz JAQYTFGYNIGESP-MZNJEOGPSA-N 0 0 453.926 4.643 20 0 JJADRN CC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459518125 1067343104 /nfs/dbraw/zinc/34/31/04/1067343104.db2.gz VCTKWSGVVAHZRV-DEOSSOPVSA-N 0 0 452.551 4.606 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1C ZINC001459516505 1067343224 /nfs/dbraw/zinc/34/32/24/1067343224.db2.gz UCAHLJAVJQAYSR-UHFFFAOYSA-N 0 0 456.608 4.666 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1cccc(Br)c1Cl ZINC001459521206 1067343811 /nfs/dbraw/zinc/34/38/11/1067343811.db2.gz FNFAYLWFEDFSQC-VIFPVBQESA-N 0 0 458.537 4.930 20 0 JJADRN CC[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@@H](C)O1 ZINC001459521188 1067343976 /nfs/dbraw/zinc/34/39/76/1067343976.db2.gz YRPDAVMLMRGCHD-XMSQKQJNSA-N 0 0 453.583 4.982 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(I)c(Cl)c1 ZINC001459522625 1067344171 /nfs/dbraw/zinc/34/41/71/1067344171.db2.gz FJGIJIVAWVLZMD-RAXLEYEMSA-N 0 0 455.723 4.758 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001459526563 1067345193 /nfs/dbraw/zinc/34/51/93/1067345193.db2.gz LVHQWWGDDUVYHH-OAQYLSRUSA-N 0 0 459.384 4.989 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2ccc(-c3ccco3)cc2F)c1I ZINC001459528648 1067345204 /nfs/dbraw/zinc/34/52/04/1067345204.db2.gz PSOQWRLVWOJVQV-UHFFFAOYSA-N 0 0 453.255 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)C(C)(C)C1 ZINC001459531050 1067346159 /nfs/dbraw/zinc/34/61/59/1067346159.db2.gz VFVXXBCOVPLRFC-IBGZPJMESA-N 0 0 457.596 4.766 20 0 JJADRN O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCOc2c(Br)cccc21 ZINC001459531597 1067346261 /nfs/dbraw/zinc/34/62/61/1067346261.db2.gz KWVACPRRLDUABP-GFCCVEGCSA-N 0 0 453.130 4.503 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(CC)Cc1ccccc1Br ZINC001459538904 1067347562 /nfs/dbraw/zinc/34/75/62/1067347562.db2.gz SRZHJOJPEYSJTO-HXUWFJFHSA-N 0 0 459.384 4.501 20 0 JJADRN O=C(CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459540093 1067348197 /nfs/dbraw/zinc/34/81/97/1067348197.db2.gz IWFUPLPNJSUVJO-GOSISDBHSA-N 0 0 455.530 4.546 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCc2cccc(F)c2[C@@H]1C ZINC001459546334 1067348433 /nfs/dbraw/zinc/34/84/33/1067348433.db2.gz VYOHUYOGFYGCNS-HNNXBMFYSA-N 0 0 455.555 4.787 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001459551428 1067348885 /nfs/dbraw/zinc/34/88/85/1067348885.db2.gz QVRVXTMKUMRLMG-SFHVURJKSA-N 0 0 458.603 4.728 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001459553056 1067349291 /nfs/dbraw/zinc/34/92/91/1067349291.db2.gz ZEFVGDSMBHSGBD-CVEARBPZSA-N 0 0 459.295 4.679 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)NCc2cccs2)cc1 ZINC001459563748 1067351225 /nfs/dbraw/zinc/35/12/25/1067351225.db2.gz KNVHSSWPHQFGPD-UHFFFAOYSA-N 0 0 457.983 4.689 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC001459561091 1067351356 /nfs/dbraw/zinc/35/13/56/1067351356.db2.gz PQUIFYDZXHOUDB-UHFFFAOYSA-N 0 0 453.558 4.518 20 0 JJADRN CCOC(=O)c1c(CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562103 1067351930 /nfs/dbraw/zinc/35/19/30/1067351930.db2.gz BZRBEIPKBYZLHW-HNNXBMFYSA-N 0 0 450.498 4.846 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001459561077 1067352018 /nfs/dbraw/zinc/35/20/18/1067352018.db2.gz CHERZPPUDHTTLV-CYBMUJFWSA-N 0 0 456.153 4.668 20 0 JJADRN CCc1nc2ccc(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)cc2nc1CC ZINC001459564721 1067352685 /nfs/dbraw/zinc/35/26/85/1067352685.db2.gz PMNNNHOKGXANDY-KRWDZBQOSA-N 0 0 453.384 4.526 20 0 JJADRN C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](c2ccco2)C1 ZINC001459564950 1067352729 /nfs/dbraw/zinc/35/27/29/1067352729.db2.gz QGVJWJSGRRKXSL-JTSKRJEESA-N 0 0 456.539 4.663 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Br)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001459564162 1067352771 /nfs/dbraw/zinc/35/27/71/1067352771.db2.gz KPSFAVDKOVUBMW-ZWKOTPCHSA-N 0 0 457.409 4.534 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001459565221 1067353179 /nfs/dbraw/zinc/35/31/79/1067353179.db2.gz SVSFDNRJAUZVOQ-MRXNPFEDSA-N 0 0 458.331 4.571 20 0 JJADRN C[C@@H]1CC(=O)Oc2cc(OC(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)ccc21 ZINC001459565163 1067353299 /nfs/dbraw/zinc/35/32/99/1067353299.db2.gz RALNPEXTEKJJFS-RGURUTKFSA-N 0 0 453.922 4.753 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c(C)c1Br ZINC001459568266 1067354128 /nfs/dbraw/zinc/35/41/28/1067354128.db2.gz IZAYMKLLVBKKJW-UHFFFAOYSA-N 0 0 457.393 4.879 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1ccnc2cc(Cl)ccc21 ZINC001459570931 1067354740 /nfs/dbraw/zinc/35/47/40/1067354740.db2.gz PLPMMDXHQGFEBC-UHFFFAOYSA-N 0 0 456.731 4.504 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C1 ZINC001459571316 1067354853 /nfs/dbraw/zinc/35/48/53/1067354853.db2.gz KQRQBPSCTCOJQG-VWLOTQADSA-N 0 0 451.498 4.594 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)C2)c1 ZINC001459572196 1067354933 /nfs/dbraw/zinc/35/49/33/1067354933.db2.gz RYPDIWVRNRKUJX-HXUWFJFHSA-N 0 0 450.432 4.694 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC001459575815 1067355511 /nfs/dbraw/zinc/35/55/11/1067355511.db2.gz WDWVYITYHJQMDF-UHFFFAOYSA-N 0 0 456.546 4.538 20 0 JJADRN C[C@@H](OC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)c1ncccc1F ZINC001459582124 1067356745 /nfs/dbraw/zinc/35/67/45/1067356745.db2.gz CCUKMWPFPJTXMD-SECBINFHSA-N 0 0 459.197 4.501 20 0 JJADRN C[C@H]1CN(c2cccc(CN(C)C(=O)C(C)(C)c3ccc4ccccc4c3)c2)S(=O)(=O)C1 ZINC001459587953 1067358032 /nfs/dbraw/zinc/35/80/32/1067358032.db2.gz OJVZLDZNWRJJBN-IBGZPJMESA-N 0 0 450.604 4.562 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001459588646 1067358243 /nfs/dbraw/zinc/35/82/43/1067358243.db2.gz YNRHEPVWUUZLJR-CEWLAPEOSA-N 0 0 457.368 4.613 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC001459595080 1067359477 /nfs/dbraw/zinc/35/94/77/1067359477.db2.gz QJFTYLMLWDTORH-AWEZNQCLSA-N 0 0 453.764 4.643 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)CN(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594293 1067359620 /nfs/dbraw/zinc/35/96/20/1067359620.db2.gz MENAIZXGTBZKHY-OFNKIYASSA-N 0 0 450.620 4.771 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1I ZINC001459595240 1067359836 /nfs/dbraw/zinc/35/98/36/1067359836.db2.gz JCMRLSKTRFKPFW-UHFFFAOYSA-N 0 0 450.320 4.641 20 0 JJADRN Cn1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)c2ccc(Br)cc2)CCC3)cn1 ZINC001459606688 1067361703 /nfs/dbraw/zinc/36/17/03/1067361703.db2.gz DPVWGRDYGFUUNU-BJMVGYQFSA-N 0 0 456.365 4.616 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCc2cnc(C(C)(C)C)s2)CC1 ZINC001459612230 1067363519 /nfs/dbraw/zinc/36/35/19/1067363519.db2.gz ZPCGDGGKLZGHBH-UHFFFAOYSA-N 0 0 450.988 4.698 20 0 JJADRN CN(CCOc1ccccc1F)C(=O)CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612411 1067364106 /nfs/dbraw/zinc/36/41/06/1067364106.db2.gz GKWCMQWMLQBDFC-KRWDZBQOSA-N 0 0 455.357 4.513 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)Oc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)c1C ZINC001459613367 1067364236 /nfs/dbraw/zinc/36/42/36/1067364236.db2.gz BVVYNUDOHJGMFV-QUCCMNQESA-N 0 0 452.551 4.848 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)Oc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)c1C ZINC001459613361 1067364375 /nfs/dbraw/zinc/36/43/75/1067364375.db2.gz BVVYNUDOHJGMFV-AZUAARDMSA-N 0 0 452.551 4.848 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001459614338 1067364700 /nfs/dbraw/zinc/36/47/00/1067364700.db2.gz BGIMHUIHTLJXJQ-MAUKXSAKSA-N 0 0 457.901 4.516 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001459619122 1067365503 /nfs/dbraw/zinc/36/55/03/1067365503.db2.gz TYLAFKBISFZKJJ-QGTPRVQTSA-N 0 0 455.794 4.834 20 0 JJADRN CCc1nc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001459623430 1067366844 /nfs/dbraw/zinc/36/68/44/1067366844.db2.gz WAMSZPPQSWZHMZ-ZUZCIYMTSA-N 0 0 455.267 4.840 20 0 JJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC001459624176 1067366908 /nfs/dbraw/zinc/36/69/08/1067366908.db2.gz OFUTYVQZIYNWNW-RUZDIDTESA-N 0 0 456.608 4.719 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc4ccc(Cl)cc4n3)CC2)c(Cl)c1 ZINC001459628902 1067367115 /nfs/dbraw/zinc/36/71/15/1067367115.db2.gz MCPNQTMGLKFJAY-KRWDZBQOSA-N 0 0 458.389 4.962 20 0 JJADRN CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001459630160 1067367172 /nfs/dbraw/zinc/36/71/72/1067367172.db2.gz WYFJPZXTXPFOOZ-UIOOFZCWSA-N 0 0 452.549 4.767 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cc3ccccc3[nH]2)cc1 ZINC001459626240 1067367214 /nfs/dbraw/zinc/36/72/14/1067367214.db2.gz ZZXZQRSLXWUPPX-GOSISDBHSA-N 0 0 456.546 4.888 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1 ZINC001459628249 1067367712 /nfs/dbraw/zinc/36/77/12/1067367712.db2.gz JPZDXIRIQXSEQM-FIIODCPWSA-N 0 0 455.860 4.933 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCO[C@H](c2ccco2)C1 ZINC001459628832 1067368160 /nfs/dbraw/zinc/36/81/60/1067368160.db2.gz CZWBICDNDVKJIY-FQEVSTJZSA-N 0 0 454.548 4.505 20 0 JJADRN COc1cc(C(=O)NCC2([S@](C)=O)CCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001459629566 1067368353 /nfs/dbraw/zinc/36/83/53/1067368353.db2.gz MGLVUQHQPYYXEU-LJAQVGFWSA-N 0 0 456.391 4.612 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)CCO1 ZINC001459635540 1067369427 /nfs/dbraw/zinc/36/94/27/1067369427.db2.gz OGVVDCCLZNXDPP-PMACEKPBSA-N 0 0 450.348 4.720 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001459636229 1067369616 /nfs/dbraw/zinc/36/96/16/1067369616.db2.gz GORMSULLMZHUIQ-IBGZPJMESA-N 0 0 459.518 4.616 20 0 JJADRN Cc1nc(NC(=O)C(=O)c2ccc(Br)s2)sc1Cc1c(F)cccc1F ZINC001459637838 1067369915 /nfs/dbraw/zinc/36/99/15/1067369915.db2.gz NCOISCLPIFPFCU-UHFFFAOYSA-N 0 0 457.321 4.966 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1cc2cccc(F)c2o1 ZINC001459638132 1067369944 /nfs/dbraw/zinc/36/99/44/1067369944.db2.gz OOWGIAHIAKUYAT-UHFFFAOYSA-N 0 0 459.642 4.769 20 0 JJADRN COC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccc(Cl)cc1 ZINC001459645574 1067370954 /nfs/dbraw/zinc/37/09/54/1067370954.db2.gz BBEHNZYOCRVARY-RDPSFJRHSA-N 0 0 450.966 4.849 20 0 JJADRN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 ZINC001459648670 1067371299 /nfs/dbraw/zinc/37/12/99/1067371299.db2.gz KYMQARNXXXVSFT-UHFFFAOYSA-N 0 0 457.477 4.915 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001459649211 1067371970 /nfs/dbraw/zinc/37/19/70/1067371970.db2.gz DQWFIVRYKHCUCT-OALUTQOASA-N 0 0 458.599 4.889 20 0 JJADRN Cc1nc(NC(=O)CCN2C(=O)CCc3ccccc32)sc1Cc1ccc(F)c(F)c1F ZINC001459655248 1067372665 /nfs/dbraw/zinc/37/26/65/1067372665.db2.gz YXHITORZOBJLJJ-UHFFFAOYSA-N 0 0 459.493 4.768 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC001459655311 1067372693 /nfs/dbraw/zinc/37/26/93/1067372693.db2.gz ZHOMNZFFEVDTRA-HNNXBMFYSA-N 0 0 456.008 4.865 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCOc2cccc(Cl)c2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459656387 1067373001 /nfs/dbraw/zinc/37/30/01/1067373001.db2.gz NSFZUECBHRGDTR-QVKFZJNVSA-N 0 0 458.407 4.751 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCO[C@H]2C)C1 ZINC001546110809 1067373714 /nfs/dbraw/zinc/37/37/14/1067373714.db2.gz OFQYIWBXZXVMCB-FNZWTVRRSA-N 0 0 491.076 4.808 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001459660310 1067374295 /nfs/dbraw/zinc/37/42/95/1067374295.db2.gz BXWJCIYQHMFNGQ-CQSZACIVSA-N 0 0 459.333 4.548 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001459661388 1067374495 /nfs/dbraw/zinc/37/44/95/1067374495.db2.gz LGYGIYOQPCJTBA-HNAYVOBHSA-N 0 0 458.521 4.964 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(Cc3cc(Br)ccc3OC(F)F)CC2)c1 ZINC001459665623 1067376692 /nfs/dbraw/zinc/37/66/92/1067376692.db2.gz WFTZPQBVGWULLW-UHFFFAOYSA-N 0 0 454.315 4.709 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1cccc(F)c1Br)C1CCCC1 ZINC001459665801 1067376724 /nfs/dbraw/zinc/37/67/24/1067376724.db2.gz WLKDXQCPRRHPSQ-KRWDZBQOSA-N 0 0 457.384 4.721 20 0 JJADRN CN(C)c1cc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc(C(F)(F)F)c1 ZINC001459665983 1067376805 /nfs/dbraw/zinc/37/68/05/1067376805.db2.gz UHIDPNBJSZUXRH-UHFFFAOYSA-N 0 0 456.468 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001459666677 1067376835 /nfs/dbraw/zinc/37/68/35/1067376835.db2.gz SWUOJPJJCVUPMV-NRFANRHFSA-N 0 0 451.571 4.944 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC001459667998 1067377079 /nfs/dbraw/zinc/37/70/79/1067377079.db2.gz WNLMISGUQJRFRF-UHFFFAOYSA-N 0 0 455.095 4.738 20 0 JJADRN CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC001459667771 1067377195 /nfs/dbraw/zinc/37/71/95/1067377195.db2.gz VBILRLHAIIHATH-LJQANCHMSA-N 0 0 456.546 4.560 20 0 JJADRN CS(=O)(=O)c1ccc(-c2nc(CN3CCCCC[C@@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669560 1067378412 /nfs/dbraw/zinc/37/84/12/1067378412.db2.gz IXQPMQDDFUUMRH-VWNXMTODSA-N 0 0 454.592 4.613 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459671223 1067378447 /nfs/dbraw/zinc/37/84/47/1067378447.db2.gz NEUMJCVXTVXZNR-FQEVSTJZSA-N 0 0 457.785 4.558 20 0 JJADRN COc1cccc([C@H]2CN(CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CCO2)c1 ZINC001459671119 1067378669 /nfs/dbraw/zinc/37/86/69/1067378669.db2.gz MTCRBZXJDSRWQA-RSXGOPAZSA-N 0 0 450.966 4.628 20 0 JJADRN C[C@@H]1CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459671689 1067378755 /nfs/dbraw/zinc/37/87/55/1067378755.db2.gz MORDIYQBZULHHN-QAPCUYQASA-N 0 0 454.596 4.799 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459671230 1067378911 /nfs/dbraw/zinc/37/89/11/1067378911.db2.gz NEUMJCVXTVXZNR-HXUWFJFHSA-N 0 0 457.785 4.558 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672211 1067379114 /nfs/dbraw/zinc/37/91/14/1067379114.db2.gz OVVHAAOKMLQBQG-AUSIDOKSSA-N 0 0 453.583 4.961 20 0 JJADRN CNc1cc(-n2nc(C)cc2NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)ncn1 ZINC001459675866 1067380192 /nfs/dbraw/zinc/38/01/92/1067380192.db2.gz MAMQJVGRJRYMHI-UHFFFAOYSA-N 0 0 452.440 4.951 20 0 JJADRN COc1ccc(NC(=O)Cc2ccc(C3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC001459675576 1067380209 /nfs/dbraw/zinc/38/02/09/1067380209.db2.gz VEJPENQNGAELGP-UHFFFAOYSA-N 0 0 456.608 4.709 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2-c2ccccc2C)cc1S(=O)(=O)N1CCCC1 ZINC001459674997 1067380322 /nfs/dbraw/zinc/38/03/22/1067380322.db2.gz QOKHJSPWYVDYHC-UHFFFAOYSA-N 0 0 450.560 4.707 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1)c1ccccc1 ZINC001459676191 1067380496 /nfs/dbraw/zinc/38/04/96/1067380496.db2.gz ZCFORFMFZFSWJA-ZDUSSCGKSA-N 0 0 455.274 4.593 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459676685 1067380773 /nfs/dbraw/zinc/38/07/73/1067380773.db2.gz FMZYHZZECNHXFI-HXUWFJFHSA-N 0 0 453.336 4.563 20 0 JJADRN CNc1cc(-n2nc(C)cc2NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)ncn1 ZINC001459677458 1067381120 /nfs/dbraw/zinc/38/11/20/1067381120.db2.gz WDVXHVXWTSMRRB-UHFFFAOYSA-N 0 0 458.309 4.535 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3C[C@H](C(C)(C)C)c4ccccc43)n2)CCCCCC1 ZINC001459679732 1067381391 /nfs/dbraw/zinc/38/13/91/1067381391.db2.gz CZZPZLZIQAYURN-FQEVSTJZSA-N 0 0 452.599 4.864 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(CC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)CC2)s1 ZINC001459683768 1067382429 /nfs/dbraw/zinc/38/24/29/1067382429.db2.gz DGDMMWKNGPUXGM-UHFFFAOYSA-N 0 0 453.652 4.565 20 0 JJADRN CC(=O)Nc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1Cl ZINC001459685467 1067383023 /nfs/dbraw/zinc/38/30/23/1067383023.db2.gz ZHBWAWVOBCYHEA-UHFFFAOYSA-N 0 0 456.848 4.633 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001459684656 1067383181 /nfs/dbraw/zinc/38/31/81/1067383181.db2.gz WZAHHGONNNXZOQ-QFIPXVFZSA-N 0 0 458.480 4.792 20 0 JJADRN Cc1ccc(NC(=O)CCCCNC(=O)OCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC001459687282 1067383712 /nfs/dbraw/zinc/38/37/12/1067383712.db2.gz SBTKUOIGSCEKTM-UHFFFAOYSA-N 0 0 451.567 4.656 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001459687320 1067383864 /nfs/dbraw/zinc/38/38/64/1067383864.db2.gz SYJQBEGZCYYFRB-UHFFFAOYSA-N 0 0 455.921 4.555 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001459687644 1067384186 /nfs/dbraw/zinc/38/41/86/1067384186.db2.gz LEFMQXSMLFIFLZ-KRWDZBQOSA-N 0 0 458.427 4.815 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001459689507 1067384635 /nfs/dbraw/zinc/38/46/35/1067384635.db2.gz JXCKUHYOOZIROO-DZGCQCFKSA-N 0 0 459.565 4.916 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001459689703 1067385035 /nfs/dbraw/zinc/38/50/35/1067385035.db2.gz FOHCNPHWZKFXJT-HXUWFJFHSA-N 0 0 451.350 4.567 20 0 JJADRN COc1ccc(C)cc1NC(=O)CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459691135 1067385255 /nfs/dbraw/zinc/38/52/55/1067385255.db2.gz KGIZWZFGBIJLSQ-IBGZPJMESA-N 0 0 450.366 4.742 20 0 JJADRN COc1ccc(C)cc1NC(=O)CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459691137 1067385391 /nfs/dbraw/zinc/38/53/91/1067385391.db2.gz KGIZWZFGBIJLSQ-LJQANCHMSA-N 0 0 450.366 4.742 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC001459693527 1067385847 /nfs/dbraw/zinc/38/58/47/1067385847.db2.gz BGGROHVKZBVGCD-INIZCTEOSA-N 0 0 454.368 4.665 20 0 JJADRN CCCCn1c(N)c(N(Cc2ncc(-c3ccccc3C)o2)Cc2ccccc2)c(=O)[nH]c1=O ZINC001459694147 1067386177 /nfs/dbraw/zinc/38/61/77/1067386177.db2.gz PPZSLOLPFKSZRM-UHFFFAOYSA-N 0 0 459.550 4.501 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c2cnn(C(C)C)c2n1 ZINC001459700932 1067388090 /nfs/dbraw/zinc/38/80/90/1067388090.db2.gz YUNGAEOGJCSFMB-HXUWFJFHSA-N 0 0 456.472 4.755 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCc3csc(C(C)(C)C)n3)cc2)c1C ZINC001459701111 1067388182 /nfs/dbraw/zinc/38/81/82/1067388182.db2.gz WJBIVYRSWGFIKN-UHFFFAOYSA-N 0 0 455.580 4.706 20 0 JJADRN Cc1sc(NC(=O)CNC2(C(=O)OC(C)(C)C)CCCC2)nc1-c1ccc(Cl)cc1 ZINC001459702586 1067388378 /nfs/dbraw/zinc/38/83/78/1067388378.db2.gz WYEXRJYQGCLWKE-UHFFFAOYSA-N 0 0 450.004 4.955 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN[C@@H](c3ccccc3)[C@H](C)C(=O)OC)n2)cc1 ZINC001459703526 1067388544 /nfs/dbraw/zinc/38/85/44/1067388544.db2.gz FDNZTDPRZFCARR-GAJHUEQPSA-N 0 0 451.592 4.841 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)CN(CCCO)c3ccccc3)n(-c3ccccc3)n2)c1 ZINC001459705884 1067389160 /nfs/dbraw/zinc/38/91/60/1067389160.db2.gz FJNSROZTPVBFSD-UHFFFAOYSA-N 0 0 454.574 4.984 20 0 JJADRN C[C@H]1CSc2ccccc2N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459706440 1067389389 /nfs/dbraw/zinc/38/93/89/1067389389.db2.gz VJMGRAXIDDJEGY-INIZCTEOSA-N 0 0 456.564 4.598 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710213 1067391412 /nfs/dbraw/zinc/39/14/12/1067391412.db2.gz OJNNQGHLGRVPBG-GOTSBHOMSA-N 0 0 454.364 4.996 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Br)cc1C ZINC001459712701 1067392316 /nfs/dbraw/zinc/39/23/16/1067392316.db2.gz PQLZXNOSBUPDLW-AEGPPILISA-N 0 0 452.295 4.734 20 0 JJADRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2ccc(F)cc2F)CC1 ZINC001459717982 1067394572 /nfs/dbraw/zinc/39/45/72/1067394572.db2.gz QJJCAKKEEONNBB-CQSZACIVSA-N 0 0 452.427 4.912 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)Cc1nc2ccccc2o1 ZINC001459719256 1067395220 /nfs/dbraw/zinc/39/52/20/1067395220.db2.gz IWUSXSKJUUTRDP-IBGZPJMESA-N 0 0 456.546 4.732 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001459720964 1067395396 /nfs/dbraw/zinc/39/53/96/1067395396.db2.gz BMLDVXJOUQKBMY-LJQANCHMSA-N 0 0 455.755 4.668 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc(C(F)(F)F)c1 ZINC001459721347 1067395515 /nfs/dbraw/zinc/39/55/15/1067395515.db2.gz LUTDXPMEDVLCPT-UHFFFAOYSA-N 0 0 454.355 4.815 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1=O ZINC001459724098 1067396194 /nfs/dbraw/zinc/39/61/94/1067396194.db2.gz XHCRCPBUWZIPAD-NVXWUHKLSA-N 0 0 452.505 4.870 20 0 JJADRN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001459724032 1067396387 /nfs/dbraw/zinc/39/63/87/1067396387.db2.gz WCJHDMJBVDPKBM-HXUWFJFHSA-N 0 0 451.386 4.911 20 0 JJADRN COc1cc2ncn(CCCC(=O)N(c3ccsc3)C3CCCCC3)c(=O)c2cc1OC ZINC001459725447 1067396714 /nfs/dbraw/zinc/39/67/14/1067396714.db2.gz XZWVRNUREVMEAO-UHFFFAOYSA-N 0 0 455.580 4.621 20 0 JJADRN O=C(CC1CCCCC1)NC1CCC(C(=O)OCc2ccc(Cl)cc2-n2cncn2)CC1 ZINC001459724876 1067396904 /nfs/dbraw/zinc/39/69/04/1067396904.db2.gz FACPZYQPLICNQO-UHFFFAOYSA-N 0 0 458.990 4.609 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ccn(Cc2ccccc2)c1 ZINC001459728124 1067397623 /nfs/dbraw/zinc/39/76/23/1067397623.db2.gz VHIKBSLBSGEGBK-KRWDZBQOSA-N 0 0 458.343 4.892 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001459728162 1067397645 /nfs/dbraw/zinc/39/76/45/1067397645.db2.gz VUISOTKLRKPBLN-OAUYIBNBSA-N 0 0 455.286 4.810 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)Cc1ccc(OC(F)F)cc1 ZINC001459728241 1067397700 /nfs/dbraw/zinc/39/77/00/1067397700.db2.gz XPSNYGQOLONRIR-ZDUSSCGKSA-N 0 0 459.274 4.573 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001459729131 1067397926 /nfs/dbraw/zinc/39/79/26/1067397926.db2.gz XBPDCOPKHKIZOR-UHFFFAOYSA-N 0 0 451.929 4.572 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)OCc3ccc(Cl)cc3-n3cncn3)s2)c(F)c1 ZINC001459730425 1067398204 /nfs/dbraw/zinc/39/82/04/1067398204.db2.gz SAIDZWKLWLEJPY-UHFFFAOYSA-N 0 0 458.902 4.857 20 0 JJADRN CO[C@H]1CCOc2c(NC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)cccc21 ZINC001459730799 1067398618 /nfs/dbraw/zinc/39/86/18/1067398618.db2.gz UETCIGIZCHMOIJ-INIZCTEOSA-N 0 0 458.477 4.675 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)ccc1Cl)C(C)C ZINC001459734875 1067399294 /nfs/dbraw/zinc/39/92/94/1067399294.db2.gz FCITVOXXWNYYIO-MRXNPFEDSA-N 0 0 459.949 4.650 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)ccc1Cl)C(C)C ZINC001459734894 1067399334 /nfs/dbraw/zinc/39/93/34/1067399334.db2.gz FDWNZATZCKMYKF-IBGZPJMESA-N 0 0 455.986 4.506 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1OC ZINC001459736426 1067399778 /nfs/dbraw/zinc/39/97/78/1067399778.db2.gz QRWPVVNVLWCFLI-UHFFFAOYSA-N 0 0 452.532 4.757 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC001459738004 1067400013 /nfs/dbraw/zinc/40/00/13/1067400013.db2.gz DOSOVPUMMNXJLC-UHFFFAOYSA-N 0 0 456.999 4.828 20 0 JJADRN C[C@@]1(NC(=O)COC(c2ccccc2)c2ccccc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739007 1067400423 /nfs/dbraw/zinc/40/04/23/1067400423.db2.gz TXEZADYNNZDXOM-MUUNZHRXSA-N 0 0 458.558 4.710 20 0 JJADRN C[C@]1(NC(=O)COC(c2ccccc2)c2ccccc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739009 1067400432 /nfs/dbraw/zinc/40/04/32/1067400432.db2.gz TXEZADYNNZDXOM-NDEPHWFRSA-N 0 0 458.558 4.710 20 0 JJADRN Cn1nc(-c2cccs2)nc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC001459739580 1067400984 /nfs/dbraw/zinc/40/09/84/1067400984.db2.gz YAKKVFRMGUPHIR-UHFFFAOYSA-N 0 0 459.325 4.730 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001459740048 1067400990 /nfs/dbraw/zinc/40/09/90/1067400990.db2.gz RKDVVLGOPJTAMQ-UHFFFAOYSA-N 0 0 455.755 4.887 20 0 JJADRN COCCN(C(=O)C[C@H](C)CCc1ccc(I)cc1)[C@@H]1CC[C@H](C)C1 ZINC001459740608 1067401549 /nfs/dbraw/zinc/40/15/49/1067401549.db2.gz LKHYMOMFITVSRC-SQGPQFPESA-N 0 0 457.396 4.914 20 0 JJADRN Cc1cc(C)c(CCNC(=O)CN2CCc3[nH]c4c(cccc4Br)c3C2)c(C)c1 ZINC001459741794 1067401914 /nfs/dbraw/zinc/40/19/14/1067401914.db2.gz NDWXVIVGZIYTIF-UHFFFAOYSA-N 0 0 454.412 4.573 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ncc(-c4ccc(Br)cc4)o3)C2)n1 ZINC001459741141 1067402035 /nfs/dbraw/zinc/40/20/35/1067402035.db2.gz ITIZUYLUWFOIDW-QGZVFWFLSA-N 0 0 455.356 4.658 20 0 JJADRN Cc1c(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cnn1-c1ccc(Br)cc1 ZINC001459743578 1067403011 /nfs/dbraw/zinc/40/30/11/1067403011.db2.gz QCUUFLBQUIXLIC-UHFFFAOYSA-N 0 0 458.331 4.518 20 0 JJADRN CC(C)Cc1ncc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)cn1 ZINC001459744154 1067403067 /nfs/dbraw/zinc/40/30/67/1067403067.db2.gz TVPULTZQGICHHT-UHFFFAOYSA-N 0 0 450.352 4.555 20 0 JJADRN O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459747248 1067404455 /nfs/dbraw/zinc/40/44/55/1067404455.db2.gz FRVRJHMKKCIPFI-UHFFFAOYSA-N 0 0 450.249 4.704 20 0 JJADRN CN1c2cc(Br)ccc2N(C(=O)C2(CC(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC001459748260 1067404937 /nfs/dbraw/zinc/40/49/37/1067404937.db2.gz LEXFMZQWARFMCG-UHFFFAOYSA-N 0 0 451.405 4.913 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC001459752152 1067406408 /nfs/dbraw/zinc/40/64/08/1067406408.db2.gz LGPZQYNIINISBE-UHFFFAOYSA-N 0 0 454.193 4.998 20 0 JJADRN CCCO[C@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccc(F)cc1C ZINC001459752610 1067406861 /nfs/dbraw/zinc/40/68/61/1067406861.db2.gz FHTFXPOMDBALMZ-QPPBQGQZSA-N 0 0 456.558 4.767 20 0 JJADRN CCCc1c(C(=O)Oc2ccc3cccnc3c2)nnn1Cc1cccc(Br)c1 ZINC001459752475 1067406888 /nfs/dbraw/zinc/40/68/88/1067406888.db2.gz LTPRYLWCKGJQCA-UHFFFAOYSA-N 0 0 451.324 4.809 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCOc3cc(Cl)c(Cl)cc32)C1 ZINC001459753921 1067407355 /nfs/dbraw/zinc/40/73/55/1067407355.db2.gz JMPRMMQUZYDAEW-CQSZACIVSA-N 0 0 453.753 4.925 20 0 JJADRN O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001459754731 1067407844 /nfs/dbraw/zinc/40/78/44/1067407844.db2.gz PUQFWZFBPULGAG-QBFSEMIESA-N 0 0 450.991 4.995 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC001459754776 1067407872 /nfs/dbraw/zinc/40/78/72/1067407872.db2.gz MMEFUVSRCREUCU-IBGZPJMESA-N 0 0 459.384 4.845 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c1F ZINC001459757127 1067409438 /nfs/dbraw/zinc/40/94/38/1067409438.db2.gz IEQRWRCEFFGETF-UHFFFAOYSA-N 0 0 454.246 4.918 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)CC1=O ZINC001459758626 1067410325 /nfs/dbraw/zinc/41/03/25/1067410325.db2.gz CMTOLGSQYXJKTC-INIZCTEOSA-N 0 0 452.942 4.649 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001459759404 1067410775 /nfs/dbraw/zinc/41/07/75/1067410775.db2.gz PFSAAFMDPNWLEZ-KRWDZBQOSA-N 0 0 450.564 4.590 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC001459759391 1067410846 /nfs/dbraw/zinc/41/08/46/1067410846.db2.gz OWKHSHLCJNJDBS-HSZRJFAPSA-N 0 0 450.579 4.543 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)sc1C ZINC001459760158 1067411384 /nfs/dbraw/zinc/41/13/84/1067411384.db2.gz FDNAVVJZCBBIJK-BLLLJJGKSA-N 0 0 456.486 4.679 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1OC ZINC001459760454 1067411909 /nfs/dbraw/zinc/41/19/09/1067411909.db2.gz IRWLDROGACGDNK-UHFFFAOYSA-N 0 0 452.305 4.685 20 0 JJADRN O=C1NCCN(Cc2cc(Cl)cc(Br)c2)[C@H]1c1cccc(Br)c1 ZINC001459762078 1067412497 /nfs/dbraw/zinc/41/24/97/1067412497.db2.gz DZXXKMDATOQACO-INIZCTEOSA-N 0 0 458.581 4.538 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCc3c(F)cc(Br)cc3C2)cc1 ZINC001459766024 1067413403 /nfs/dbraw/zinc/41/34/03/1067413403.db2.gz XMAIGTHYBTXXGI-UHFFFAOYSA-N 0 0 454.405 4.718 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H]3CC[C@@H](C)C3)[C@@H]2c2ccccc2OC)cc1 ZINC001459767814 1067414427 /nfs/dbraw/zinc/41/44/27/1067414427.db2.gz HCYSYMVMWPRGMO-OGJZKPSESA-N 0 0 450.579 4.741 20 0 JJADRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC001459766937 1067414466 /nfs/dbraw/zinc/41/44/66/1067414466.db2.gz MIEUFCXDHLKHCX-RJGXRXQPSA-N 0 0 456.652 4.534 20 0 JJADRN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC001459767670 1067414498 /nfs/dbraw/zinc/41/44/98/1067414498.db2.gz YCSFIBRARAIBBE-UHFFFAOYSA-N 0 0 456.285 4.806 20 0 JJADRN Cc1c(NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)cccc1NC(=O)N(C)C ZINC001459768903 1067414984 /nfs/dbraw/zinc/41/49/84/1067414984.db2.gz XVDPNFKSHNJWIQ-UHFFFAOYSA-N 0 0 455.921 4.808 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459771898 1067415591 /nfs/dbraw/zinc/41/55/91/1067415591.db2.gz OFNZBHSXLWCCCV-FQEVSTJZSA-N 0 0 450.482 4.821 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)ccc1Br ZINC001459772571 1067416175 /nfs/dbraw/zinc/41/61/75/1067416175.db2.gz PJIITJPBMMPUDW-NRFANRHFSA-N 0 0 459.409 4.993 20 0 JJADRN Cc1cc(=O)c(C(=O)O[C@@H]2COc3cc(Cl)ccc32)nn1-c1cccc(C(F)(F)F)c1 ZINC001459775980 1067417163 /nfs/dbraw/zinc/41/71/63/1067417163.db2.gz XOQGIWQUGSJNQF-GOSISDBHSA-N 0 0 450.800 4.504 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(-c3ccccc3F)co2)c1 ZINC001459781432 1067418246 /nfs/dbraw/zinc/41/82/46/1067418246.db2.gz VVMIQASOVVZOAL-IBGZPJMESA-N 0 0 455.486 4.564 20 0 JJADRN CCN(CC)[C@H](C(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001459781658 1067418708 /nfs/dbraw/zinc/41/87/08/1067418708.db2.gz VICLBACKMABCDW-IBGZPJMESA-N 0 0 453.436 4.823 20 0 JJADRN Cc1cc(C(=O)Nc2nc(-c3ccccc3F)co2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001459781436 1067418774 /nfs/dbraw/zinc/41/87/74/1067418774.db2.gz VYVCPPWTUKZFNP-UHFFFAOYSA-N 0 0 451.498 4.741 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC001459781979 1067418879 /nfs/dbraw/zinc/41/88/79/1067418879.db2.gz YMRLRKVABNVVAB-WYOARUQKSA-N 0 0 451.288 4.882 20 0 JJADRN CCc1c(NC(=O)c2cc3cc(Br)cnc3n2C)cnn1-c1ccc(Cl)cc1 ZINC001459782209 1067418981 /nfs/dbraw/zinc/41/89/81/1067418981.db2.gz CCLOSSUBSOCIMT-UHFFFAOYSA-N 0 0 458.747 4.990 20 0 JJADRN CCc1c(NC(=O)c2ccc(N3CCOCC3)c(C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001459783681 1067420446 /nfs/dbraw/zinc/42/04/46/1067420446.db2.gz SITLWHWIGLXUEU-UHFFFAOYSA-N 0 0 458.484 4.851 20 0 JJADRN CC(C)n1ncc2cc(C(=O)Oc3ccc(Oc4ncc(Br)cn4)cc3)cnc21 ZINC001459783635 1067420596 /nfs/dbraw/zinc/42/05/96/1067420596.db2.gz RSYPRUPSARJTQW-UHFFFAOYSA-N 0 0 454.284 4.576 20 0 JJADRN O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1OC(F)(F)F ZINC001459784688 1067420930 /nfs/dbraw/zinc/42/09/30/1067420930.db2.gz VPZMRFUVJQGHDQ-UHFFFAOYSA-N 0 0 456.218 4.969 20 0 JJADRN COCC1(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)CCCC1 ZINC001459785553 1067421601 /nfs/dbraw/zinc/42/16/01/1067421601.db2.gz ZLVQQEWRVBLDIJ-LJQANCHMSA-N 0 0 456.446 4.759 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCOC2(CCCCC2)C1 ZINC001459785752 1067421602 /nfs/dbraw/zinc/42/16/02/1067421602.db2.gz BIOALDHPWAWELN-UHFFFAOYSA-N 0 0 454.135 4.773 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CC2CCCCC2)c1 ZINC001459789889 1067423392 /nfs/dbraw/zinc/42/33/92/1067423392.db2.gz ZSXULLAKJOJFBH-IBGZPJMESA-N 0 0 458.624 4.917 20 0 JJADRN O=C(Cn1cc(Br)ccc1=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459791102 1067423963 /nfs/dbraw/zinc/42/39/63/1067423963.db2.gz DMEFKYHGJKVHRK-QGZVFWFLSA-N 0 0 457.290 4.774 20 0 JJADRN Cc1cc(Br)oc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459791178 1067423986 /nfs/dbraw/zinc/42/39/86/1067423986.db2.gz FPHMFSIACZKULK-UHFFFAOYSA-N 0 0 456.134 4.601 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC001459791278 1067424416 /nfs/dbraw/zinc/42/44/16/1067424416.db2.gz NUUYYGKYEIIERV-GOSISDBHSA-N 0 0 452.942 4.685 20 0 JJADRN Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c(Br)c1 ZINC001459792165 1067424870 /nfs/dbraw/zinc/42/48/70/1067424870.db2.gz LJVFKSMGIZNMMM-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN CCCC1CCC(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001459792257 1067424947 /nfs/dbraw/zinc/42/49/47/1067424947.db2.gz QRBHEDGVNMOYSZ-UHFFFAOYSA-N 0 0 459.027 4.697 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459792545 1067425611 /nfs/dbraw/zinc/42/56/11/1067425611.db2.gz UNCBHGALRCVNAL-KKSFZXQISA-N 0 0 455.368 4.584 20 0 JJADRN CO[C@@H](CC(=O)OCc1cc(Br)c(Cl)c(Br)c1)C(F)(F)F ZINC001459794320 1067426663 /nfs/dbraw/zinc/42/66/63/1067426663.db2.gz KTWHVCWMMSCONS-VIFPVBQESA-N 0 0 454.464 4.876 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001459794792 1067427076 /nfs/dbraw/zinc/42/70/76/1067427076.db2.gz FAMNYUNNWDUICF-RTBURBONSA-N 0 0 456.608 4.506 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001459795296 1067427125 /nfs/dbraw/zinc/42/71/25/1067427125.db2.gz KGDDFUCILSYDKW-MAUKXSAKSA-N 0 0 450.284 4.762 20 0 JJADRN CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1cc(Br)cn1C ZINC001459798875 1067427575 /nfs/dbraw/zinc/42/75/75/1067427575.db2.gz DIVVDYQKMHHBRJ-GOSISDBHSA-N 0 0 459.215 4.890 20 0 JJADRN O=C(NCCCc1ccccc1F)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001459800403 1067428174 /nfs/dbraw/zinc/42/81/74/1067428174.db2.gz MUCGMOHCMFXXTA-UHFFFAOYSA-N 0 0 452.339 4.816 20 0 JJADRN Cc1ccc2c(CN3CCN(Cc4ccc(Br)c(F)c4)CC3)cc(=O)oc2c1C ZINC001459798956 1067428630 /nfs/dbraw/zinc/42/86/30/1067428630.db2.gz XQMKHZIKMPSICV-UHFFFAOYSA-N 0 0 459.359 4.629 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 ZINC001459799537 1067429224 /nfs/dbraw/zinc/42/92/24/1067429224.db2.gz XKMZXMFZOCOWKS-OIJAAMDRSA-N 0 0 459.826 4.837 20 0 JJADRN COc1cc(-c2nc(CN3C[C@H](CC(=O)N(C)C)c4cc(Cl)ccc43)cs2)ccc1O ZINC001459799586 1067429255 /nfs/dbraw/zinc/42/92/55/1067429255.db2.gz XWPZTJDBISZPEE-HNNXBMFYSA-N 0 0 457.983 4.760 20 0 JJADRN CCc1ccc(CNC(=O)CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC001459800779 1067429540 /nfs/dbraw/zinc/42/95/40/1067429540.db2.gz QQBKUVXADJGASQ-LJQANCHMSA-N 0 0 454.423 4.727 20 0 JJADRN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001459801632 1067430217 /nfs/dbraw/zinc/43/02/17/1067430217.db2.gz BBEOARPNECSHRZ-CQSZACIVSA-N 0 0 458.743 4.752 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1Oc1ncccc1Br ZINC001459802655 1067430250 /nfs/dbraw/zinc/43/02/50/1067430250.db2.gz FSCWYRRZCJAOJI-IBGZPJMESA-N 0 0 453.292 4.665 20 0 JJADRN CCn1c2ccccc2c2cc(NC(=O)CN(C)Cc3cc(Br)cn3C)ccc21 ZINC001459803866 1067430726 /nfs/dbraw/zinc/43/07/26/1067430726.db2.gz KUTVWFMLVDRSQQ-UHFFFAOYSA-N 0 0 453.384 4.986 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807060 1067431541 /nfs/dbraw/zinc/43/15/41/1067431541.db2.gz MWJJOQHLPLUCNC-KOJWFEOWSA-N 0 0 457.398 4.833 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807324 1067431598 /nfs/dbraw/zinc/43/15/98/1067431598.db2.gz ZNDZSJBLNJDISZ-AESZEHBQSA-N 0 0 456.414 4.946 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N(C)c3ncccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001459808976 1067432232 /nfs/dbraw/zinc/43/22/32/1067432232.db2.gz BGEGAFKONRGYRT-UKILVPOCSA-N 0 0 459.546 4.555 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(Br)s4)nn3)cc2)nn1 ZINC001459811955 1067433874 /nfs/dbraw/zinc/43/38/74/1067433874.db2.gz OOKAJQSACQCEOB-UHFFFAOYSA-N 0 0 452.337 4.985 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459812905 1067434404 /nfs/dbraw/zinc/43/44/04/1067434404.db2.gz SPUGWIDDVJOQMQ-CABZTGNLSA-N 0 0 450.280 4.796 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC001459812516 1067434416 /nfs/dbraw/zinc/43/44/16/1067434416.db2.gz HNZLMEVLPGSNJE-HSZRJFAPSA-N 0 0 453.558 4.887 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 ZINC001459814212 1067435019 /nfs/dbraw/zinc/43/50/19/1067435019.db2.gz XRJLQCJZYIHGCR-BXUZGUMPSA-N 0 0 457.353 4.814 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814690 1067435342 /nfs/dbraw/zinc/43/53/42/1067435342.db2.gz WORJFKQAYWYIBH-AZUAARDMSA-N 0 0 457.640 4.723 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820611 1067438265 /nfs/dbraw/zinc/43/82/65/1067438265.db2.gz SVOFXPBJHVGOEW-FQRUVTKNSA-N 0 0 457.574 4.647 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)c1C ZINC001459821502 1067438807 /nfs/dbraw/zinc/43/88/07/1067438807.db2.gz HMBIFHWWEHJBNO-UHFFFAOYSA-N 0 0 450.333 4.559 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001459821612 1067438832 /nfs/dbraw/zinc/43/88/32/1067438832.db2.gz PVLJPOSQZNJZJI-IBGZPJMESA-N 0 0 458.971 4.570 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)cc1 ZINC001459821887 1067438844 /nfs/dbraw/zinc/43/88/44/1067438844.db2.gz APHMXAAMCFICME-RPWUZVMVSA-N 0 0 454.567 4.500 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC001459822415 1067439157 /nfs/dbraw/zinc/43/91/57/1067439157.db2.gz PEVDXANHUFTFEU-LBPRGKRZSA-N 0 0 454.752 4.958 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001546112110 1067439744 /nfs/dbraw/zinc/43/97/44/1067439744.db2.gz CZXHJYWKJBQACD-CTNGQTDRSA-N 0 0 474.671 4.647 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)CC(=O)OC ZINC001459826035 1067441307 /nfs/dbraw/zinc/44/13/07/1067441307.db2.gz ACQCERUSMWBWRT-RUZDIDTESA-N 0 0 457.574 4.946 20 0 JJADRN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825961 1067441352 /nfs/dbraw/zinc/44/13/52/1067441352.db2.gz VWFPVIFUVFJDJH-ZLXGRDSLSA-N 0 0 452.473 4.935 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C1 ZINC001546112147 1067443554 /nfs/dbraw/zinc/44/35/54/1067443554.db2.gz FLLRPVPPSZUTJG-UHFFFAOYSA-N 0 0 483.701 4.893 20 0 JJADRN CCS[C@H](C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1)C(C)C ZINC001459832844 1067444786 /nfs/dbraw/zinc/44/47/86/1067444786.db2.gz LFKWXTVSAYZGTJ-KRWDZBQOSA-N 0 0 452.418 4.983 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001459835556 1067445829 /nfs/dbraw/zinc/44/58/29/1067445829.db2.gz ZORBTIAAGLWQMN-GHTZIAJQSA-N 0 0 455.327 4.777 20 0 JJADRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001459835860 1067446413 /nfs/dbraw/zinc/44/64/13/1067446413.db2.gz XZROAZQVXGNICZ-NSHDSACASA-N 0 0 457.763 4.639 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1-c1cnn(C)c1 ZINC001459840435 1067448120 /nfs/dbraw/zinc/44/81/20/1067448120.db2.gz LSEFEIWSECSRGY-FQEVSTJZSA-N 0 0 457.361 4.628 20 0 JJADRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN(C)C[C@@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842645 1067449592 /nfs/dbraw/zinc/44/95/92/1067449592.db2.gz UMZCAYZUARZHNA-VXKWHMMOSA-N 0 0 451.636 4.929 20 0 JJADRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN(C)C[C@H]3CCCC[C@H]3O)nc2c1C ZINC001459842643 1067449662 /nfs/dbraw/zinc/44/96/62/1067449662.db2.gz UMZCAYZUARZHNA-FGZHOGPDSA-N 0 0 451.636 4.929 20 0 JJADRN CCn1c2nnc(CN[C@@H](CC(C)C)c3cc(Cl)ccc3OC)n2c2ccccc2c1=O ZINC001459843035 1067450191 /nfs/dbraw/zinc/45/01/91/1067450191.db2.gz JTMCERNUEBLELC-IBGZPJMESA-N 0 0 453.974 4.603 20 0 JJADRN CCCCOc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccc(Br)cc2F)cc1OC ZINC001459844351 1067450595 /nfs/dbraw/zinc/45/05/95/1067450595.db2.gz PGNIUWFPIDGPRF-XCLFUZPHSA-N 0 0 453.352 4.653 20 0 JJADRN C[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)c1cc2c(cc1Br)OCCO2 ZINC001459844709 1067451135 /nfs/dbraw/zinc/45/11/35/1067451135.db2.gz PJTPJUDNKISHQW-LLVKDONJSA-N 0 0 450.720 4.775 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)CC(=O)OC ZINC001459844505 1067451156 /nfs/dbraw/zinc/45/11/56/1067451156.db2.gz UKZDXEOTDAXLFW-JOCHJYFZSA-N 0 0 451.592 4.992 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCC2)C1 ZINC001546112234 1067452410 /nfs/dbraw/zinc/45/24/10/1067452410.db2.gz JKZKNVWOLGGALW-UHFFFAOYSA-N 0 0 463.420 4.551 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001459848091 1067453093 /nfs/dbraw/zinc/45/30/93/1067453093.db2.gz AMCFECQVQNZJKM-AKFKNWHVSA-N 0 0 452.595 4.974 20 0 JJADRN O=C(CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC001459848439 1067453677 /nfs/dbraw/zinc/45/36/77/1067453677.db2.gz RNOPNXHEMDZNDR-QFIPXVFZSA-N 0 0 455.480 4.750 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2SC)c1Br ZINC001459851536 1067456793 /nfs/dbraw/zinc/45/67/93/1067456793.db2.gz NEASJUAGLSBRDI-UHFFFAOYSA-N 0 0 459.159 4.972 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)OC)c2Br)cc1OC ZINC001459852280 1067457143 /nfs/dbraw/zinc/45/71/43/1067457143.db2.gz NUCHEDJKOQMPEN-UHFFFAOYSA-N 0 0 456.720 4.939 20 0 JJADRN CCCc1c(C(=O)Nc2cccc(C(=O)OC)c2Br)cnn1-c1cccc(C)c1 ZINC001459853351 1067457844 /nfs/dbraw/zinc/45/78/44/1067457844.db2.gz ULRPQISGRAJZLI-UHFFFAOYSA-N 0 0 456.340 4.935 20 0 JJADRN O=C(c1cccc(F)c1I)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC001459855146 1067458606 /nfs/dbraw/zinc/45/86/06/1067458606.db2.gz IMVDIFUUUZCPLS-UHFFFAOYSA-N 0 0 454.670 4.694 20 0 JJADRN C[C@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001459855280 1067458690 /nfs/dbraw/zinc/45/86/90/1067458690.db2.gz AYKJLNJUALAINO-SFHVURJKSA-N 0 0 457.486 4.975 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001459855993 1067459253 /nfs/dbraw/zinc/45/92/53/1067459253.db2.gz KAEDVECODUIQKX-QHAWAJNXSA-N 0 0 456.533 4.983 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC001459857746 1067460330 /nfs/dbraw/zinc/46/03/30/1067460330.db2.gz XTMVLZLNJZHXOR-QFIPXVFZSA-N 0 0 451.567 4.720 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2=O)ccc1Br ZINC001459859135 1067460830 /nfs/dbraw/zinc/46/08/30/1067460830.db2.gz SFHIVQLXMIEEMC-AQNXPRMDSA-N 0 0 455.396 4.953 20 0 JJADRN CO[C@@]1(C)CCCN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001459860078 1067461460 /nfs/dbraw/zinc/46/14/60/1067461460.db2.gz HHAXTGAZWBWXLB-QHCPKHFHSA-N 0 0 457.621 4.715 20 0 JJADRN Cc1cc([C@H](OC(=O)c2ccc(S(C)(=O)=O)s2)C(F)(F)F)ccc1Br ZINC001459863473 1067462403 /nfs/dbraw/zinc/46/24/03/1067462403.db2.gz KFOFAIGNFGZSBW-ZDUSSCGKSA-N 0 0 457.289 4.683 20 0 JJADRN COC[C@]1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCCCN1C(=O)OC(C)(C)C ZINC001459863277 1067462533 /nfs/dbraw/zinc/46/25/33/1067462533.db2.gz GAHMNIAKUAHLNZ-NRFANRHFSA-N 0 0 455.527 4.979 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC001459865636 1067463568 /nfs/dbraw/zinc/46/35/68/1067463568.db2.gz MMSWQWSCGKXYPO-IBGZPJMESA-N 0 0 450.539 4.638 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001459867721 1067464736 /nfs/dbraw/zinc/46/47/36/1067464736.db2.gz FJXAPGDKNXSFLB-OAHLLOKOSA-N 0 0 451.283 4.599 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c(Sc2ccc(Cl)cc2)c1 ZINC001459868581 1067465312 /nfs/dbraw/zinc/46/53/12/1067465312.db2.gz JOGZKZHSBFICTM-LJQANCHMSA-N 0 0 458.933 4.793 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001459869951 1067466736 /nfs/dbraw/zinc/46/67/36/1067466736.db2.gz CDPBVWSNHRDWDO-QFIPXVFZSA-N 0 0 458.986 4.931 20 0 JJADRN Cc1ccccc1Cc1noc(CN2CCC[C@@H]2c2ccc(I)cc2)n1 ZINC001459874534 1067468955 /nfs/dbraw/zinc/46/89/55/1067468955.db2.gz QBLVEYBTXJRVIE-LJQANCHMSA-N 0 0 459.331 4.911 20 0 JJADRN Cc1cc2c(cc1Br)N(Cc1csc(-c3c(C)c(C)nn(C)c3=O)n1)CCC2 ZINC001459875357 1067469442 /nfs/dbraw/zinc/46/94/42/1067469442.db2.gz SRRABEUTGXAWFF-UHFFFAOYSA-N 0 0 459.413 4.544 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001459875753 1067469446 /nfs/dbraw/zinc/46/94/46/1067469446.db2.gz JDLHFQIZWNULOR-FHAGJXEFSA-N 0 0 452.595 4.806 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001459875757 1067469454 /nfs/dbraw/zinc/46/94/54/1067469454.db2.gz JDLHFQIZWNULOR-RNHFSVANSA-N 0 0 452.595 4.806 20 0 JJADRN COCCOC(=O)c1c(C)[nH]c(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1C ZINC001459877369 1067469746 /nfs/dbraw/zinc/46/97/46/1067469746.db2.gz SVZBCXYOTJUZKT-UHFFFAOYSA-N 0 0 458.864 4.526 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@H]3[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)c2)cs1 ZINC001459881832 1067471699 /nfs/dbraw/zinc/47/16/99/1067471699.db2.gz WRMPZODFGKLGEZ-CKJXQJPGSA-N 0 0 459.612 4.794 20 0 JJADRN Cc1cc(OC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)c(C)c1Br ZINC001459881181 1067471766 /nfs/dbraw/zinc/47/17/66/1067471766.db2.gz IQLWPQNCIOHGHF-UHFFFAOYSA-N 0 0 454.386 4.670 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccccc2C)C1 ZINC001546112470 1067472259 /nfs/dbraw/zinc/47/22/59/1067472259.db2.gz SKHZADGDUWCGFP-JOCHJYFZSA-N 0 0 450.631 4.932 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1=O ZINC001459887896 1067473667 /nfs/dbraw/zinc/47/36/67/1067473667.db2.gz NMEZIMGOPWRPGE-LEWJYISDSA-N 0 0 455.396 4.871 20 0 JJADRN Cc1cccc(-c2cnc(NC(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)s2)c1 ZINC001459890609 1067475211 /nfs/dbraw/zinc/47/52/11/1067475211.db2.gz OBNVHLZJUDHMCJ-QGZVFWFLSA-N 0 0 455.605 4.934 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)CC2c3ccccc3Oc3ccccc32)s1 ZINC001459892818 1067476257 /nfs/dbraw/zinc/47/62/57/1067476257.db2.gz BJJCCXFALBCSMQ-HUUCEWRRSA-N 0 0 450.564 4.508 20 0 JJADRN O=C1NCCN(Cc2ccc(Cl)c(Br)c2)[C@H]1c1ccccc1Br ZINC001459893774 1067476740 /nfs/dbraw/zinc/47/67/40/1067476740.db2.gz ANKPDEUOVWDPKV-INIZCTEOSA-N 0 0 458.581 4.538 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)s1 ZINC001459895978 1067477653 /nfs/dbraw/zinc/47/76/53/1067477653.db2.gz KUDIRUUSSXVOAD-UONOGXRCSA-N 0 0 458.971 4.939 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)s1 ZINC001459895974 1067477736 /nfs/dbraw/zinc/47/77/36/1067477736.db2.gz KUDIRUUSSXVOAD-KBPBESRZSA-N 0 0 458.971 4.939 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1cc(F)c(F)cc1Br ZINC001459896127 1067478200 /nfs/dbraw/zinc/47/82/00/1067478200.db2.gz LTDDOTYKCXAPAK-UHFFFAOYSA-N 0 0 456.674 4.680 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 ZINC001459897561 1067478308 /nfs/dbraw/zinc/47/83/08/1067478308.db2.gz FBRCZBOZHAGQSS-ILWGZMRPSA-N 0 0 457.412 4.963 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3F)n2Cc2ncccc2N(C)C)C1 ZINC001546112577 1067478370 /nfs/dbraw/zinc/47/83/70/1067478370.db2.gz WVGQXVYTYSWWBK-UHFFFAOYSA-N 0 0 452.578 4.522 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nn1[C@@H](C)C1CC1 ZINC001459900876 1067479722 /nfs/dbraw/zinc/47/97/22/1067479722.db2.gz NJJZWIFBXDFYMY-FXAWDEMLSA-N 0 0 459.432 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3cc(F)c(F)cc3Br)CCCC[C@H]12 ZINC001459903021 1067481391 /nfs/dbraw/zinc/48/13/91/1067481391.db2.gz ZZQWFONZNZSWDC-LAUBAEHRSA-N 0 0 473.358 4.913 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)c3ccccc32)C1 ZINC001459903568 1067481403 /nfs/dbraw/zinc/48/14/03/1067481403.db2.gz VECZGRNCJPAGJS-GHTZIAJQSA-N 0 0 455.396 4.911 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2cc3c(cc2Br)OCO3)ccc1Cl ZINC001459906031 1067483000 /nfs/dbraw/zinc/48/30/00/1067483000.db2.gz KDZXGIWHTMWMFJ-UHFFFAOYSA-N 0 0 457.733 4.857 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cc(F)c(Br)c(Cl)c3)c2)o1 ZINC001459907521 1067483514 /nfs/dbraw/zinc/48/35/14/1067483514.db2.gz FCMDWSGLLUXFFA-UHFFFAOYSA-N 0 0 454.683 4.733 20 0 JJADRN CCCn1c(=O)n(CCC(=O)Nc2cc(F)c(Br)c(Cl)c2)c2ccccc21 ZINC001459908076 1067484051 /nfs/dbraw/zinc/48/40/51/1067484051.db2.gz IBLXDCFUYXSULS-UHFFFAOYSA-N 0 0 454.727 4.797 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NCC(=O)Nc3ccccc3C(=O)c3ccccc3)n2)cc1F ZINC001459908755 1067484618 /nfs/dbraw/zinc/48/46/18/1067484618.db2.gz DPZZNLSRULPASC-KRWDZBQOSA-N 0 0 458.493 4.704 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001459908646 1067484649 /nfs/dbraw/zinc/48/46/49/1067484649.db2.gz IMQPYAQTSWUASS-HTAPYJJXSA-N 0 0 452.530 4.679 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1 ZINC001459909619 1067485075 /nfs/dbraw/zinc/48/50/75/1067485075.db2.gz LRCJNCRAZNKKNY-LSDHHAIUSA-N 0 0 451.527 4.985 20 0 JJADRN COC(=O)[C@@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1 ZINC001459910390 1067485847 /nfs/dbraw/zinc/48/58/47/1067485847.db2.gz JDPORMANSXIUDP-BZNIZROVSA-N 0 0 450.720 4.717 20 0 JJADRN CCc1ccc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001459910316 1067485858 /nfs/dbraw/zinc/48/58/58/1067485858.db2.gz FBFBEARTLBEUOU-GBXCKJPGSA-N 0 0 454.636 4.689 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001459910319 1067485884 /nfs/dbraw/zinc/48/58/84/1067485884.db2.gz FBFBEARTLBEUOU-YKSBVNFPSA-N 0 0 454.636 4.689 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1=O ZINC001459911746 1067486801 /nfs/dbraw/zinc/48/68/01/1067486801.db2.gz SXGZXMRZWVSMLB-NSHDSACASA-N 0 0 455.711 4.550 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)C1 ZINC001459912683 1067487290 /nfs/dbraw/zinc/48/72/90/1067487290.db2.gz RSXHAAIZGBTZLD-KRWDZBQOSA-N 0 0 459.468 4.892 20 0 JJADRN O=C1[C@@H](N2CCO[C@H](c3cccc(Cl)c3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001459913995 1067487888 /nfs/dbraw/zinc/48/78/88/1067487888.db2.gz OYZZDPQXHSKLQO-SFTDATJTSA-N 0 0 452.904 4.923 20 0 JJADRN CCOC(=O)C1=C(CN[C@@H](C)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459915909 1067488843 /nfs/dbraw/zinc/48/88/43/1067488843.db2.gz XFDDWTURYMNUHE-BBATYDOGSA-N 0 0 454.379 4.577 20 0 JJADRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001459915543 1067488954 /nfs/dbraw/zinc/48/89/54/1067488954.db2.gz XVZPIMNSZICEIN-LJQANCHMSA-N 0 0 453.988 4.537 20 0 JJADRN C[C@@](O)(C1CCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916536 1067489439 /nfs/dbraw/zinc/48/94/39/1067489439.db2.gz WIQRVMXONBYYSQ-FGZHOGPDSA-N 0 0 454.920 4.571 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc(Cl)c1OCC(C)C ZINC001459917844 1067490398 /nfs/dbraw/zinc/49/03/98/1067490398.db2.gz GHCLWVNBGCIDPA-SFHVURJKSA-N 0 0 452.979 4.611 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)cc1OC1CCCC1 ZINC001459917973 1067490461 /nfs/dbraw/zinc/49/04/61/1067490461.db2.gz GWGODGASITZNCJ-CTNGQTDRSA-N 0 0 458.599 4.880 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001459918491 1067490771 /nfs/dbraw/zinc/49/07/71/1067490771.db2.gz JZKXHLZKGRZLOM-PBHICJAKSA-N 0 0 453.461 4.504 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459918789 1067490781 /nfs/dbraw/zinc/49/07/81/1067490781.db2.gz JNAFJLJHLLIDFE-RJNXLVOCSA-N 0 0 453.377 4.695 20 0 JJADRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001459919058 1067490786 /nfs/dbraw/zinc/49/07/86/1067490786.db2.gz HQIWXHMRRYQHMZ-QFIPXVFZSA-N 0 0 459.631 4.672 20 0 JJADRN Cc1cccc(CCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n1 ZINC001459919862 1067491334 /nfs/dbraw/zinc/49/13/34/1067491334.db2.gz OKYSLANKTKSXNP-IBGZPJMESA-N 0 0 451.489 4.724 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)c1ccc2scc(Br)c2c1)N1CCCC1 ZINC001459921102 1067491756 /nfs/dbraw/zinc/49/17/56/1067491756.db2.gz OSCPPVIMVPBDIK-HNNXBMFYSA-N 0 0 451.386 4.891 20 0 JJADRN CC[C@@H](NCC(=O)Nc1c(F)cc(F)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001459921222 1067491781 /nfs/dbraw/zinc/49/17/81/1067491781.db2.gz HNZFKZKGXNJLLR-SNVBAGLBSA-N 0 0 458.250 4.882 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC001459922350 1067492721 /nfs/dbraw/zinc/49/27/21/1067492721.db2.gz POQSHUMHLASWEI-UYAOXDASSA-N 0 0 458.530 4.861 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1c(C)nn(C2CCOCC2)c1C ZINC001459922719 1067492809 /nfs/dbraw/zinc/49/28/09/1067492809.db2.gz XFXJXJNJTDFZGS-UHFFFAOYSA-N 0 0 453.564 4.927 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459924039 1067493332 /nfs/dbraw/zinc/49/33/32/1067493332.db2.gz SVFKLIMNKYGQSG-IBGZPJMESA-N 0 0 452.542 4.815 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC001459924027 1067493344 /nfs/dbraw/zinc/49/33/44/1067493344.db2.gz KVPORJGPOJRYAS-KCVHQNEMSA-N 0 0 463.578 4.666 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928249 1067495324 /nfs/dbraw/zinc/49/53/24/1067495324.db2.gz BLKDWLFCSRHSOI-UGSOOPFHSA-N 0 0 457.290 4.868 20 0 JJADRN COc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(Br)c1OC ZINC001459928594 1067495329 /nfs/dbraw/zinc/49/53/29/1067495329.db2.gz BHVDTMYXTKESDA-UHFFFAOYSA-N 0 0 457.771 4.577 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928239 1067495341 /nfs/dbraw/zinc/49/53/41/1067495341.db2.gz BLKDWLFCSRHSOI-SCLBCKFNSA-N 0 0 457.290 4.868 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)Nc1ccc(Cl)cc1C ZINC001459929572 1067496032 /nfs/dbraw/zinc/49/60/32/1067496032.db2.gz ISLOPVQFSAZEIJ-QHCPKHFHSA-N 0 0 452.986 4.522 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)c(C)cc1Br ZINC001459930800 1067496076 /nfs/dbraw/zinc/49/60/76/1067496076.db2.gz HJTDLOMJTIAWEB-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@H](CC)c3nc(C)cs3)cc2)cc1 ZINC001459930529 1067496090 /nfs/dbraw/zinc/49/60/90/1067496090.db2.gz ZCNBLFUJBFPWOG-OAQYLSRUSA-N 0 0 452.580 4.782 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC001459931828 1067496408 /nfs/dbraw/zinc/49/64/08/1067496408.db2.gz LDKBSFGXTORUEB-JOCHJYFZSA-N 0 0 452.549 4.802 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN(Cc3c(F)cccc3F)C3CC3)n2)c(OC)c1 ZINC001459932607 1067496487 /nfs/dbraw/zinc/49/64/87/1067496487.db2.gz PIPYOKONFIAEMK-UHFFFAOYSA-N 0 0 459.518 4.709 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC001459931956 1067496848 /nfs/dbraw/zinc/49/68/48/1067496848.db2.gz IYHKKSPHCPHEJZ-FZKQIMNGSA-N 0 0 457.518 4.563 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001459932535 1067496860 /nfs/dbraw/zinc/49/68/60/1067496860.db2.gz KPIAFAWXMPCOQA-LJQANCHMSA-N 0 0 457.983 4.712 20 0 JJADRN C[C@H](C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)n1ccc(C(F)(F)F)n1 ZINC001459934027 1067498117 /nfs/dbraw/zinc/49/81/17/1067498117.db2.gz HAKMVIDZEMKKTE-MRVPVSSYSA-N 0 0 451.352 4.519 20 0 JJADRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(OCC(F)(F)F)o1 ZINC001459935223 1067498462 /nfs/dbraw/zinc/49/84/62/1067498462.db2.gz IQKWZFRLDHDXPA-UHFFFAOYSA-N 0 0 453.320 4.890 20 0 JJADRN COC(=O)C(C)(C)CCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001459936916 1067499140 /nfs/dbraw/zinc/49/91/40/1067499140.db2.gz YSUDNZSBJAETNT-UHFFFAOYSA-N 0 0 455.352 4.983 20 0 JJADRN COC(=O)CCN(Cc1coc(-c2cccc(OC)c2)n1)Cc1cccc(Br)c1 ZINC001459939553 1067500079 /nfs/dbraw/zinc/50/00/79/1067500079.db2.gz JMOOGGIJXHOECW-UHFFFAOYSA-N 0 0 459.340 4.678 20 0 JJADRN CCCCCOc1ccc(Br)cc1CN1CCn2c(Br)cnc2C1 ZINC001459939346 1067500165 /nfs/dbraw/zinc/50/01/65/1067500165.db2.gz HMPDSWSHVHYVKB-UHFFFAOYSA-N 0 0 457.210 4.993 20 0 JJADRN O=C1NCCN(Cc2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001459942108 1067500709 /nfs/dbraw/zinc/50/07/09/1067500709.db2.gz WUMGPKUJIWIPHU-QHCPKHFHSA-N 0 0 456.464 4.837 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3C[C@H](C(F)(F)F)OC[C@H]3C)cc12 ZINC001459945078 1067501906 /nfs/dbraw/zinc/50/19/06/1067501906.db2.gz FMEBOTFDUVFCRL-PIGZYNQJSA-N 0 0 457.905 4.900 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC001459944880 1067501947 /nfs/dbraw/zinc/50/19/47/1067501947.db2.gz DJYBKYGMJLKVBZ-QFIPXVFZSA-N 0 0 452.473 4.641 20 0 JJADRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001459945474 1067502192 /nfs/dbraw/zinc/50/21/92/1067502192.db2.gz GNWVPAPEHACTDA-IINYFYTJSA-N 0 0 452.260 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ncc(-c3ccccn3)s2)(c2ccccc2)C1 ZINC001459945668 1067502201 /nfs/dbraw/zinc/50/22/01/1067502201.db2.gz VZRJHSPGHZATBW-DEOSSOPVSA-N 0 0 450.564 4.722 20 0 JJADRN COCCOc1cc(C(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)nc2ccccc21 ZINC001459946547 1067502277 /nfs/dbraw/zinc/50/22/77/1067502277.db2.gz VVJUMDMHFHMTAX-UHFFFAOYSA-N 0 0 452.551 4.718 20 0 JJADRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001459947187 1067502563 /nfs/dbraw/zinc/50/25/63/1067502563.db2.gz MXHOQJPCIKHCHT-UGSOOPFHSA-N 0 0 458.274 4.820 20 0 JJADRN COCCC[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)c1ccc(Cl)cc1 ZINC001459947907 1067503037 /nfs/dbraw/zinc/50/30/37/1067503037.db2.gz ZDBDLFCFSHTERJ-OAHLLOKOSA-N 0 0 450.764 4.690 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c1 ZINC001459949477 1067503975 /nfs/dbraw/zinc/50/39/75/1067503975.db2.gz GVNOJQLICCMUMF-UHFFFAOYSA-N 0 0 451.733 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001459951626 1067504799 /nfs/dbraw/zinc/50/47/99/1067504799.db2.gz DJXPTABYQSGKGS-UHFFFAOYSA-N 0 0 455.521 4.757 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2cccs2)cc1 ZINC001459956470 1067506251 /nfs/dbraw/zinc/50/62/51/1067506251.db2.gz FKJVIMQAUIHHNP-FIOICXDGSA-N 0 0 455.601 4.968 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C)CC[C@H]3c3ccccc3)CC2)c(C)c1 ZINC001459956316 1067506365 /nfs/dbraw/zinc/50/63/65/1067506365.db2.gz DJYAYFFHYVMSTQ-RDPSFJRHSA-N 0 0 454.636 4.704 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CCc2cc(Cl)cc(Br)c21 ZINC001459955859 1067506435 /nfs/dbraw/zinc/50/64/35/1067506435.db2.gz YFBMBNJXXPENGL-ZDUSSCGKSA-N 0 0 457.549 4.930 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001459957200 1067506693 /nfs/dbraw/zinc/50/66/93/1067506693.db2.gz CIZRZVVMGKUERC-WNYOCNMUSA-N 0 0 457.368 4.883 20 0 JJADRN O=C(Nc1cccc2nonc21)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001459957235 1067506738 /nfs/dbraw/zinc/50/67/38/1067506738.db2.gz HIBBHWRPZPSRMT-UHFFFAOYSA-N 0 0 457.746 4.968 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001459958309 1067507163 /nfs/dbraw/zinc/50/71/63/1067507163.db2.gz FHPYSAPWWSDWND-SCLBCKFNSA-N 0 0 455.755 4.951 20 0 JJADRN CCOc1cccc(Cl)c1CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC001459958780 1067507635 /nfs/dbraw/zinc/50/76/35/1067507635.db2.gz BHFQRTIAOQVOJK-UHFFFAOYSA-N 0 0 457.785 4.769 20 0 JJADRN Fc1ccc([C@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)cc1Br ZINC001459961627 1067508349 /nfs/dbraw/zinc/50/83/49/1067508349.db2.gz OWFSQXYOGKJGSY-OXJNMPFZSA-N 0 0 453.739 4.808 20 0 JJADRN O=C(CN1CCO[C@@H](c2ccc(F)cc2Cl)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459962068 1067508769 /nfs/dbraw/zinc/50/87/69/1067508769.db2.gz JKIIJAHNXLWMMK-HSZRJFAPSA-N 0 0 452.913 4.722 20 0 JJADRN COCCCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1OC ZINC001459968883 1067510292 /nfs/dbraw/zinc/51/02/92/1067510292.db2.gz QWKVZVHVJLQVTK-UHFFFAOYSA-N 0 0 455.457 4.872 20 0 JJADRN O=C(CN1CCOC[C@H]1CC(=O)c1ccco1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001459967344 1067510311 /nfs/dbraw/zinc/51/03/11/1067510311.db2.gz LUAKHYRWNGWXAU-GOSISDBHSA-N 0 0 454.910 4.638 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc2sccc2c1 ZINC001459967613 1067510360 /nfs/dbraw/zinc/51/03/60/1067510360.db2.gz XOWWAXXEJXWQLD-SFHVURJKSA-N 0 0 457.349 4.659 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001459971976 1067511060 /nfs/dbraw/zinc/51/10/60/1067511060.db2.gz MJDYBTKEJOTEQC-RPWUZVMVSA-N 0 0 462.546 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001459973401 1067511419 /nfs/dbraw/zinc/51/14/19/1067511419.db2.gz DBEIMURLGXJUSC-OAQYLSRUSA-N 0 0 451.498 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC001459974691 1067511764 /nfs/dbraw/zinc/51/17/64/1067511764.db2.gz OFCHILSHXTWNQP-QGZVFWFLSA-N 0 0 458.386 4.895 20 0 JJADRN Cn1nc(C(C)(C)C)cc1C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 ZINC001459974226 1067511774 /nfs/dbraw/zinc/51/17/74/1067511774.db2.gz MMTZJMCUYWQEBM-UHFFFAOYSA-N 0 0 450.768 4.704 20 0 JJADRN CN1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c2ccc(Br)cc21 ZINC001459974166 1067511885 /nfs/dbraw/zinc/51/18/85/1067511885.db2.gz FHNLJISKYWINDZ-DLBZAZTESA-N 0 0 466.420 4.706 20 0 JJADRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001459974462 1067511921 /nfs/dbraw/zinc/51/19/21/1067511921.db2.gz IYLGRXVFQUVXMM-UHFFFAOYSA-N 0 0 455.234 4.621 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N(Cc3ncc[nH]3)c3ccc(Br)c(Cl)c3)c12 ZINC001459974762 1067512118 /nfs/dbraw/zinc/51/21/18/1067512118.db2.gz PBELDNATBCGZJW-UHFFFAOYSA-N 0 0 459.735 4.561 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)C1CCCCCC1 ZINC001459975221 1067512291 /nfs/dbraw/zinc/51/22/91/1067512291.db2.gz FZCBIJVDOONLIL-YCAMKHIRSA-N 0 0 456.627 4.881 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)nn1C1CCOCC1 ZINC001459975645 1067512454 /nfs/dbraw/zinc/51/24/54/1067512454.db2.gz NJPBFWKJRAURKU-SFHVURJKSA-N 0 0 455.773 4.866 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCN(C)c4cc(Br)ccc43)o2)cc1 ZINC001459977244 1067512891 /nfs/dbraw/zinc/51/28/91/1067512891.db2.gz QOKLCXAGNGXVLQ-UHFFFAOYSA-N 0 0 456.340 4.528 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001459977698 1067513303 /nfs/dbraw/zinc/51/33/03/1067513303.db2.gz SUAWWMAYGMSIIT-QPXUXIHVSA-N 0 0 456.627 4.881 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001459978235 1067513567 /nfs/dbraw/zinc/51/35/67/1067513567.db2.gz XNXAYUFOGIOQLZ-GJYPPUQNSA-N 0 0 450.760 4.756 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001459978237 1067513621 /nfs/dbraw/zinc/51/36/21/1067513621.db2.gz XNXAYUFOGIOQLZ-JTDSTZFVSA-N 0 0 450.760 4.756 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981121 1067514670 /nfs/dbraw/zinc/51/46/70/1067514670.db2.gz UZKMMAPFLHYWGC-DOTOQJQBSA-N 0 0 456.414 4.598 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981128 1067514721 /nfs/dbraw/zinc/51/47/21/1067514721.db2.gz UZKMMAPFLHYWGC-RDJZCZTQSA-N 0 0 456.414 4.598 20 0 JJADRN C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001459981132 1067514786 /nfs/dbraw/zinc/51/47/86/1067514786.db2.gz UZKMMAPFLHYWGC-WBVHZDCISA-N 0 0 456.414 4.598 20 0 JJADRN CC[C@@](NC(=O)CCc1cc(Br)ccc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981480 1067514874 /nfs/dbraw/zinc/51/48/74/1067514874.db2.gz WQKUJOVVXSUPRN-FQEVSTJZSA-N 0 0 456.739 4.769 20 0 JJADRN CC[C@](NC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981338 1067514882 /nfs/dbraw/zinc/51/48/82/1067514882.db2.gz UJNLAFNDWSQVHR-HSZRJFAPSA-N 0 0 458.345 4.967 20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001459984402 1067515591 /nfs/dbraw/zinc/51/55/91/1067515591.db2.gz CWSDFVQRGMKUSS-UHFFFAOYSA-N 0 0 450.539 4.717 20 0 JJADRN COc1c(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)cc(Cl)cc1C(=O)N(C)C ZINC001459984633 1067515622 /nfs/dbraw/zinc/51/56/22/1067515622.db2.gz FMXKVIRSOCHRPP-UHFFFAOYSA-N 0 0 452.269 4.750 20 0 JJADRN Cc1ccc(NC(=O)CN(CC(C)(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC001459987316 1067516316 /nfs/dbraw/zinc/51/63/16/1067516316.db2.gz IHPCVWUEGJTNBD-UHFFFAOYSA-N 0 0 457.640 4.661 20 0 JJADRN COCC1(CNC(=O)CCc2ccc(Cl)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459986623 1067516393 /nfs/dbraw/zinc/51/63/93/1067516393.db2.gz KUAQSTHLXBCRJE-UHFFFAOYSA-N 0 0 459.414 4.706 20 0 JJADRN Cn1c2ccccc2nc1[C@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987676 1067516431 /nfs/dbraw/zinc/51/64/31/1067516431.db2.gz UBNSLKOAYAVJOX-WMZHIEFXSA-N 0 0 456.373 4.999 20 0 JJADRN COCC1(CNC(=O)[C@@H](C)Sc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459988575 1067516772 /nfs/dbraw/zinc/51/67/72/1067516772.db2.gz OHGFYZYZGBHKLI-MRXNPFEDSA-N 0 0 457.036 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)c2F)C1 ZINC001459991723 1067518033 /nfs/dbraw/zinc/51/80/33/1067518033.db2.gz NVAHLHUMOWOAGO-UHFFFAOYSA-N 0 0 453.514 4.720 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991185 1067518134 /nfs/dbraw/zinc/51/81/34/1067518134.db2.gz MPWHVEIFTNIBAW-WIYYLYMNSA-N 0 0 452.628 4.798 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001459992346 1067518368 /nfs/dbraw/zinc/51/83/68/1067518368.db2.gz GYPPVFDVBMIQDY-FQEVSTJZSA-N 0 0 456.587 4.846 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)Nc1nc2c(s1)CSCC2 ZINC001459993028 1067518550 /nfs/dbraw/zinc/51/85/50/1067518550.db2.gz ONDCVXULSKUCSZ-UHFFFAOYSA-N 0 0 458.390 4.889 20 0 JJADRN CCOc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1C ZINC001459993678 1067518757 /nfs/dbraw/zinc/51/87/57/1067518757.db2.gz UQPIUUADRHWYRN-UHFFFAOYSA-N 0 0 458.624 4.731 20 0 JJADRN CC[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(OC)c(OC)c1 ZINC001459994448 1067519069 /nfs/dbraw/zinc/51/90/69/1067519069.db2.gz JXAODVXLZOAJPZ-NRFANRHFSA-N 0 0 459.546 4.992 20 0 JJADRN Cn1nc(I)cc1C(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001459996020 1067519160 /nfs/dbraw/zinc/51/91/60/1067519160.db2.gz JODYDZRAUHUZLW-CABCVRRESA-N 0 0 457.743 4.524 20 0 JJADRN CCOC(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c(F)cc1C ZINC001459996087 1067519588 /nfs/dbraw/zinc/51/95/88/1067519588.db2.gz YVZIMMZBQKWYKM-UHFFFAOYSA-N 0 0 456.543 4.628 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459996584 1067519994 /nfs/dbraw/zinc/51/99/94/1067519994.db2.gz SINSRUSIEDMMDJ-AVRDEDQJSA-N 0 0 456.505 4.623 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001459998125 1067520159 /nfs/dbraw/zinc/52/01/59/1067520159.db2.gz WJVPBTRWMSPZNM-UHFFFAOYSA-N 0 0 452.473 4.925 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459999879 1067521534 /nfs/dbraw/zinc/52/15/34/1067521534.db2.gz UWNIRFMXFJSKCJ-KRWDZBQOSA-N 0 0 452.942 4.793 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460003247 1067522815 /nfs/dbraw/zinc/52/28/15/1067522815.db2.gz BRSSSQORVSCTPG-HZPDHXFCSA-N 0 0 455.571 4.886 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cccc(-c3ccccn3)c2)cc1 ZINC001460003125 1067522846 /nfs/dbraw/zinc/52/28/46/1067522846.db2.gz CIWZABDDUZBJMI-IBGZPJMESA-N 0 0 450.560 4.669 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460003278 1067522916 /nfs/dbraw/zinc/52/29/16/1067522916.db2.gz DMMIUDFJSSAJPA-HNNXBMFYSA-N 0 0 458.356 4.838 20 0 JJADRN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460004708 1067523667 /nfs/dbraw/zinc/52/36/67/1067523667.db2.gz JOLLEUXEIZPLLY-UHFFFAOYSA-N 0 0 450.720 4.584 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460005026 1067523682 /nfs/dbraw/zinc/52/36/82/1067523682.db2.gz JCVPZNYRLAZUEC-AWEZNQCLSA-N 0 0 458.498 4.917 20 0 JJADRN Cc1c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)nnn1CCOc1ccc(F)cc1 ZINC001460005840 1067523967 /nfs/dbraw/zinc/52/39/67/1067523967.db2.gz CQCMCOMALCFDNM-UHFFFAOYSA-N 0 0 457.918 4.834 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccn3)C2)c2ccccc12 ZINC001460005957 1067523989 /nfs/dbraw/zinc/52/39/89/1067523989.db2.gz NSLPKCCDNRYFFV-OAHLLOKOSA-N 0 0 457.452 4.753 20 0 JJADRN C[C@@]12CCN(C(=O)c3cnnn3-c3cc(C(F)(F)F)ccc3Cl)C[C@@H]1C2(Cl)Cl ZINC001460006473 1067524016 /nfs/dbraw/zinc/52/40/16/1067524016.db2.gz ROQXXUROMBXWTJ-DZGCQCFKSA-N 0 0 453.679 4.595 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460006316 1067524040 /nfs/dbraw/zinc/52/40/40/1067524040.db2.gz NLWREAFPKLAABA-LLVKDONJSA-N 0 0 452.903 4.986 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)ccc1Cl ZINC001460012606 1067526744 /nfs/dbraw/zinc/52/67/44/1067526744.db2.gz BENNNYJUNINXNA-QGZVFWFLSA-N 0 0 453.004 4.690 20 0 JJADRN CC(=O)Nc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 ZINC001460013097 1067527332 /nfs/dbraw/zinc/52/73/32/1067527332.db2.gz DVMCJIBODATPSE-FQEVSTJZSA-N 0 0 455.908 4.583 20 0 JJADRN O=C(Oc1ccc(-c2ncc3n2CCCC3)cc1)c1csc(I)c1 ZINC001460013163 1067527352 /nfs/dbraw/zinc/52/73/52/1067527352.db2.gz FOFIUZRRWGPAPX-UHFFFAOYSA-N 0 0 450.301 4.772 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 ZINC001460015241 1067528189 /nfs/dbraw/zinc/52/81/89/1067528189.db2.gz PPFKSAIFZBCXNJ-UHFFFAOYSA-N 0 0 456.892 4.707 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015889 1067528759 /nfs/dbraw/zinc/52/87/59/1067528759.db2.gz BKZAKOXEOYZIEA-SFHVURJKSA-N 0 0 455.352 4.851 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001460018753 1067529803 /nfs/dbraw/zinc/52/98/03/1067529803.db2.gz WRCMPOXLZXIERE-NRFANRHFSA-N 0 0 458.484 4.882 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001460018917 1067530045 /nfs/dbraw/zinc/53/00/45/1067530045.db2.gz IXICONOWFMTRGT-UHFFFAOYSA-N 0 0 451.304 4.931 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460021108 1067531138 /nfs/dbraw/zinc/53/11/38/1067531138.db2.gz RJCLIRSAGWHAEW-VMPITWQZSA-N 0 0 458.408 4.941 20 0 JJADRN CCn1ccnc1[C@H]1CCCCN1CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460021704 1067531442 /nfs/dbraw/zinc/53/14/42/1067531442.db2.gz FEJWIUXPPYFPGJ-BWKNWUBXSA-N 0 0 457.018 4.580 20 0 JJADRN Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021858 1067531481 /nfs/dbraw/zinc/53/14/81/1067531481.db2.gz GLFSFZOHHLVXCZ-BTYIYWSLSA-N 0 0 451.355 4.920 20 0 JJADRN Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021868 1067531554 /nfs/dbraw/zinc/53/15/54/1067531554.db2.gz GLFSFZOHHLVXCZ-YCRPNKLZSA-N 0 0 451.355 4.920 20 0 JJADRN COc1ccc(CN(Cc2nnc(C(=O)Nc3ccccc3)s2)[C@H](C)C2CC2)c(OC)c1 ZINC001460023889 1067532169 /nfs/dbraw/zinc/53/21/69/1067532169.db2.gz KLJARUIARWSVCF-MRXNPFEDSA-N 0 0 452.580 4.608 20 0 JJADRN Fc1cccc(F)c1-n1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)n1 ZINC001460026400 1067532701 /nfs/dbraw/zinc/53/27/01/1067532701.db2.gz AAJJFJSKIOMBBZ-UHFFFAOYSA-N 0 0 453.411 4.845 20 0 JJADRN Cc1ccc([C@@H](NCc2nnc(-c3c(Cl)cccc3Cl)o2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001460030697 1067534035 /nfs/dbraw/zinc/53/40/35/1067534035.db2.gz WNNXRWQVZYIRIV-YJYMSZOUSA-N 0 0 454.379 4.616 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 ZINC001460034708 1067535293 /nfs/dbraw/zinc/53/52/93/1067535293.db2.gz WPUDBKZCYQINID-UHFFFAOYSA-N 0 0 454.493 4.577 20 0 JJADRN Cc1ccc(Cl)c(OC[C@H](O)CN2CC(C)(C)N(C)c3ccc(Br)cc32)c1 ZINC001460036007 1067535691 /nfs/dbraw/zinc/53/56/91/1067535691.db2.gz APLVZEXLWDGJNH-MRXNPFEDSA-N 0 0 453.808 4.886 20 0 JJADRN Cc1cccnc1CCCNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001460036798 1067535764 /nfs/dbraw/zinc/53/57/64/1067535764.db2.gz LNEQKCDBYANKIT-UHFFFAOYSA-N 0 0 452.352 4.767 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Br)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001460038500 1067536064 /nfs/dbraw/zinc/53/60/64/1067536064.db2.gz KTAJRECDVJEDMC-LJQANCHMSA-N 0 0 453.764 4.503 20 0 JJADRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2nc(-c3cccc(Cl)c3Cl)cs2)cn1 ZINC001460042008 1067537199 /nfs/dbraw/zinc/53/71/99/1067537199.db2.gz YCYQBYXRBBCBDW-HPGBDJQBSA-N 0 0 455.436 4.639 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1cccc2c(Cl)nccc12 ZINC001460044040 1067537457 /nfs/dbraw/zinc/53/74/57/1067537457.db2.gz NJZFQQBSLFYPME-UHFFFAOYSA-N 0 0 452.679 4.900 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c(Cl)nccc34)c2)C1 ZINC001460045917 1067537900 /nfs/dbraw/zinc/53/79/00/1067537900.db2.gz YTOFSKLXTVTVAQ-IYBDPMFKSA-N 0 0 457.983 4.807 20 0 JJADRN CCOC(=O)C1=C(CN2C[C@@H](C(C)C)c3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460046655 1067538299 /nfs/dbraw/zinc/53/82/99/1067538299.db2.gz SFHQTZMQMSMNPM-CVDCTZTESA-N 0 0 453.970 4.771 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1)OCc1ccccc1 ZINC001460046614 1067538319 /nfs/dbraw/zinc/53/83/19/1067538319.db2.gz RNLODJHCUQRDBW-MRXNPFEDSA-N 0 0 453.327 4.866 20 0 JJADRN CN=[S@](C)(=O)c1cccc(NC(=O)c2cc(Br)sc2Br)c1 ZINC001460053215 1067539800 /nfs/dbraw/zinc/53/98/00/1067539800.db2.gz JWELLKRMLMMPMZ-OAQYLSRUSA-N 0 0 452.193 4.612 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC001460056889 1067540594 /nfs/dbraw/zinc/54/05/94/1067540594.db2.gz SGCYBEHCUFMLBS-DLBZAZTESA-N 0 0 454.379 4.569 20 0 JJADRN Cc1c(NC(=O)c2cccc3cccc(Br)c32)cccc1N1C(=O)N[C@H](C)C1=O ZINC001460061702 1067542487 /nfs/dbraw/zinc/54/24/87/1067542487.db2.gz KTOGEYVBSWSQIK-CYBMUJFWSA-N 0 0 452.308 4.608 20 0 JJADRN O=C(CN1CCOC[C@H]1CC(F)F)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001460063566 1067543171 /nfs/dbraw/zinc/54/31/71/1067543171.db2.gz GYNAWRJTSIJSGD-MRXNPFEDSA-N 0 0 455.299 4.536 20 0 JJADRN C[C@@H](OC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)c1ccc(F)c(I)c1 ZINC001460063714 1067543314 /nfs/dbraw/zinc/54/33/14/1067543314.db2.gz XPGUVEUCGODXSO-DTWKUNHWSA-N 0 0 456.177 4.511 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)CCS1 ZINC001546113619 1067543752 /nfs/dbraw/zinc/54/37/52/1067543752.db2.gz FFMGSUFLZAQGDK-QGZVFWFLSA-N 0 0 492.089 4.710 20 0 JJADRN CN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460067905 1067545097 /nfs/dbraw/zinc/54/50/97/1067545097.db2.gz DCGWBMDQTIOXDU-JTQLQIEISA-N 0 0 457.185 4.791 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@H]2C)CCS1 ZINC001546113648 1067545588 /nfs/dbraw/zinc/54/55/88/1067545588.db2.gz GAHLJKMZLNSTLU-FQRUVTKNSA-N 0 0 485.698 4.810 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460070999 1067545731 /nfs/dbraw/zinc/54/57/31/1067545731.db2.gz JRLXKJILHFBFOJ-GJZGRUSLSA-N 0 0 451.316 4.575 20 0 JJADRN Cc1cc(C)cc(OCCN(C)C(=O)CN(C)Cc2ccc(Br)cc2Cl)c1 ZINC001460072493 1067545961 /nfs/dbraw/zinc/54/59/61/1067545961.db2.gz WKPQFTXYOXZILQ-UHFFFAOYSA-N 0 0 453.808 4.689 20 0 JJADRN CCCCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1CCCC[C@H]1OC ZINC001460071678 1067546006 /nfs/dbraw/zinc/54/60/06/1067546006.db2.gz YFPUDZMRCGBZRF-YPAWHYETSA-N 0 0 461.672 4.525 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460073836 1067547269 /nfs/dbraw/zinc/54/72/69/1067547269.db2.gz QBSLVAYBCRZOCO-JKSUJKDBSA-N 0 0 452.860 4.615 20 0 JJADRN O=C(OC[C@H]1CCCCN1Cc1csc(COc2ccc(Cl)cc2)n1)N1CCCC1 ZINC001460074769 1067547282 /nfs/dbraw/zinc/54/72/82/1067547282.db2.gz HSSIWEFQBCTJCX-LJQANCHMSA-N 0 0 450.004 4.962 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(OC)c(Cl)c1 ZINC001460080305 1067548447 /nfs/dbraw/zinc/54/84/47/1067548447.db2.gz WAUHMKAIWZYFHE-HSZRJFAPSA-N 0 0 454.910 4.583 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC)CCS1 ZINC001546113696 1067548605 /nfs/dbraw/zinc/54/86/05/1067548605.db2.gz IGSYWGHBDXTCPP-FQEVSTJZSA-N 0 0 494.727 4.582 20 0 JJADRN COc1ccc(NC(=O)c2nnc(CN3CCC([C@@H](F)c4ccccc4F)CC3)s2)cc1 ZINC001460081151 1067548865 /nfs/dbraw/zinc/54/88/65/1067548865.db2.gz IGLDHTJLGDUTHU-OAQYLSRUSA-N 0 0 458.534 4.861 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC001460083997 1067549659 /nfs/dbraw/zinc/54/96/59/1067549659.db2.gz LBBDDQUMTAXKLI-CRAIPNDOSA-N 0 0 456.892 4.872 20 0 JJADRN Cc1ccc2c(CN(CCn3ccnc3)Cc3ccc(Br)o3)cc(=O)oc2c1C ZINC001460084276 1067549711 /nfs/dbraw/zinc/54/97/11/1067549711.db2.gz AEAUFIKXPKXUML-UHFFFAOYSA-N 0 0 456.340 4.664 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460084776 1067550376 /nfs/dbraw/zinc/55/03/76/1067550376.db2.gz OCRWPQGOBAQIAM-INIZCTEOSA-N 0 0 459.395 4.500 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)CN3CCOC[C@@H]3[C@@H]3CCCO3)n2)cc1 ZINC001460087203 1067550684 /nfs/dbraw/zinc/55/06/84/1067550684.db2.gz XEFJTPJDAWORQM-PKTZIBPZSA-N 0 0 457.640 4.751 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)CN3CCOC[C@H]3[C@H]3CCCO3)n2)cc1 ZINC001460087204 1067550936 /nfs/dbraw/zinc/55/09/36/1067550936.db2.gz XEFJTPJDAWORQM-XZOQPEGZSA-N 0 0 457.640 4.751 20 0 JJADRN O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)c1cc(Cn2cc(Br)cn2)on1 ZINC001460092073 1067552208 /nfs/dbraw/zinc/55/22/08/1067552208.db2.gz GCEBMCQDYIGHAL-UHFFFAOYSA-N 0 0 459.250 4.879 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460092338 1067552251 /nfs/dbraw/zinc/55/22/51/1067552251.db2.gz GYTNHKXADVEYHA-NRFANRHFSA-N 0 0 450.585 4.804 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC001460092340 1067552320 /nfs/dbraw/zinc/55/23/20/1067552320.db2.gz GYTNHKXADVEYHA-OAQYLSRUSA-N 0 0 450.585 4.804 20 0 JJADRN Cc1ccc(-c2csc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3c3nccn3C)n2)cc1 ZINC001460093628 1067552636 /nfs/dbraw/zinc/55/26/36/1067552636.db2.gz IRCYDEJBTJKEMJ-FQEVSTJZSA-N 0 0 453.612 4.646 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)c(I)s1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001460096219 1067553590 /nfs/dbraw/zinc/55/35/90/1067553590.db2.gz DFRBFGJCPVFDPO-AMIZOPFISA-N 0 0 456.202 4.590 20 0 JJADRN O=C(CN(Cc1ccccc1Cl)CC1CC1)Nc1ccccc1I ZINC001460098413 1067554343 /nfs/dbraw/zinc/55/43/43/1067554343.db2.gz IPOALBHYTXCOPZ-UHFFFAOYSA-N 0 0 454.739 4.795 20 0 JJADRN CO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001460098859 1067554819 /nfs/dbraw/zinc/55/48/19/1067554819.db2.gz FGNQECXTDWEVTJ-RMYQPGKMSA-N 0 0 450.982 4.583 20 0 JJADRN Cc1ccc(C[C@@H](C)C(=O)Nc2nc(C(F)(F)F)c(I)s2)cc1 ZINC001460100530 1067554887 /nfs/dbraw/zinc/55/48/87/1067554887.db2.gz OGLZJEPQHGJSOT-SECBINFHSA-N 0 0 454.255 4.892 20 0 JJADRN Cc1sc2nc(CN3CCC([C@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)nc(N)c2c1C ZINC001460103010 1067555518 /nfs/dbraw/zinc/55/55/18/1067555518.db2.gz BOLNRACBENUGSI-LJQANCHMSA-N 0 0 459.660 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC001460105929 1067556209 /nfs/dbraw/zinc/55/62/09/1067556209.db2.gz NFQFHBYEUUHSIU-JOCHJYFZSA-N 0 0 458.578 4.657 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)nc1C(C)C ZINC001460111039 1067557024 /nfs/dbraw/zinc/55/70/24/1067557024.db2.gz GFJLHKUPLGVGMZ-UHFFFAOYSA-N 0 0 455.584 4.991 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCOc1ccc(Cl)c(F)c1 ZINC001460111667 1067557256 /nfs/dbraw/zinc/55/72/56/1067557256.db2.gz FQXUOIJKNORRPZ-OAHLLOKOSA-N 0 0 458.755 4.632 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001460112440 1067557295 /nfs/dbraw/zinc/55/72/95/1067557295.db2.gz PGILCOHEZFMJBT-UHFFFAOYSA-N 0 0 457.715 4.871 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)nc1C(C)C ZINC001460112604 1067557679 /nfs/dbraw/zinc/55/76/79/1067557679.db2.gz SGXLZAFIYZZWJK-UHFFFAOYSA-N 0 0 456.421 4.649 20 0 JJADRN NC(=O)CCN(C(=O)CSc1cccc2cccc(Cl)c21)[C@@H]1CCOc2ccccc21 ZINC001460113914 1067558014 /nfs/dbraw/zinc/55/80/14/1067558014.db2.gz SVPJVSGBBLACNS-LJQANCHMSA-N 0 0 454.979 4.813 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CN(c2ccc(Br)cc2)C2CC2)cc1OC ZINC001460114446 1067558401 /nfs/dbraw/zinc/55/84/01/1067558401.db2.gz NTVUDGGTCBKYFA-HXUWFJFHSA-N 0 0 459.384 4.799 20 0 JJADRN O=C(CCC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)NC(c1ccccc1)c1ccccc1 ZINC001460115976 1067558716 /nfs/dbraw/zinc/55/87/16/1067558716.db2.gz MMCRHKAZHLBCML-FQEVSTJZSA-N 0 0 452.476 4.893 20 0 JJADRN C[C@@]1(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1(Cl)Cl ZINC001460117523 1067558944 /nfs/dbraw/zinc/55/89/44/1067558944.db2.gz CEKVQAWCQSYRBR-FZKQIMNGSA-N 0 0 452.209 4.936 20 0 JJADRN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2sc3cc(Br)ccc3c2Cl)CCO1 ZINC001460122192 1067559257 /nfs/dbraw/zinc/55/92/57/1067559257.db2.gz IBAYIVNGMCMIFV-RISCZKNCSA-N 0 0 454.777 4.701 20 0 JJADRN O=C(c1ccc(I)cc1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460121827 1067559298 /nfs/dbraw/zinc/55/92/98/1067559298.db2.gz DOQJJEJPENPMLQ-MNOVXSKESA-N 0 0 451.148 4.637 20 0 JJADRN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122644 1067559645 /nfs/dbraw/zinc/55/96/45/1067559645.db2.gz IIUWKMCVHIZRMB-KRWDZBQOSA-N 0 0 458.006 4.504 20 0 JJADRN O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001460123962 1067559786 /nfs/dbraw/zinc/55/97/86/1067559786.db2.gz YGRLJLPTLRTFBF-OAQYLSRUSA-N 0 0 453.482 4.539 20 0 JJADRN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125320 1067560040 /nfs/dbraw/zinc/56/00/40/1067560040.db2.gz LPPHRBKNNHYQGO-GOSISDBHSA-N 0 0 457.977 4.841 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@H]2OCCc3ccccc32)C1=O ZINC001460125176 1067560163 /nfs/dbraw/zinc/56/01/63/1067560163.db2.gz FMZYYFUMLPJWPM-FCHUYYIVSA-N 0 0 457.412 4.807 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125181 1067560177 /nfs/dbraw/zinc/56/01/77/1067560177.db2.gz FMZYYFUMLPJWPM-VXKWHMMOSA-N 0 0 457.412 4.807 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCSC[C@H]1C1CC1 ZINC001460128060 1067560438 /nfs/dbraw/zinc/56/04/38/1067560438.db2.gz GTWVIQXJTZXQGB-FQEVSTJZSA-N 0 0 458.649 4.975 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)N2CCCN(c3cccc(F)c3F)CC2)c(Br)c1 ZINC001460130021 1067561000 /nfs/dbraw/zinc/56/10/00/1067561000.db2.gz ONWVFYOVLUWGBA-HNNXBMFYSA-N 0 0 452.343 4.575 20 0 JJADRN COc1ccc([C@H](NC(=O)CN2CCC(c3nc(C(F)(F)F)cs3)CC2)C2CC2)cc1 ZINC001460137877 1067562913 /nfs/dbraw/zinc/56/29/13/1067562913.db2.gz AXNKBBDKOMBMAU-HXUWFJFHSA-N 0 0 453.530 4.617 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2ccc(Cl)cc2Br)cc1OC ZINC001460141262 1067563527 /nfs/dbraw/zinc/56/35/27/1067563527.db2.gz HYRXMUIQJRWXQW-UHFFFAOYSA-N 0 0 456.764 4.881 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC3CCC(OC(F)F)CC3)cc2Br)on1 ZINC001460144792 1067563809 /nfs/dbraw/zinc/56/38/09/1067563809.db2.gz VEJLTIHGZHNVFB-UHFFFAOYSA-N 0 0 459.287 4.605 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OC ZINC001460144853 1067564279 /nfs/dbraw/zinc/56/42/79/1067564279.db2.gz WFFIXHKOVBTWEP-UHFFFAOYSA-N 0 0 457.958 4.613 20 0 JJADRN COc1cc(NC(=O)CNC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)cc(OC)c1 ZINC001460145907 1067564514 /nfs/dbraw/zinc/56/45/14/1067564514.db2.gz ULFVHTFYKDGREC-UHFFFAOYSA-N 0 0 455.555 4.882 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC=CCO2)CCS1 ZINC001546114201 1067564980 /nfs/dbraw/zinc/56/49/80/1067564980.db2.gz YZUJVJZSLZNXPC-NRFANRHFSA-N 0 0 469.655 4.604 20 0 JJADRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCC(C)(OC)CC1 ZINC001460148065 1067565025 /nfs/dbraw/zinc/56/50/25/1067565025.db2.gz MCBGRUBXOSLZAC-UHFFFAOYSA-N 0 0 450.988 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)CCc1cc(F)ccc1Br ZINC001460151934 1067565582 /nfs/dbraw/zinc/56/55/82/1067565582.db2.gz NMQWVLBUSNOOPP-QGZVFWFLSA-N 0 0 457.384 4.817 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)nc1 ZINC001460151887 1067565733 /nfs/dbraw/zinc/56/57/33/1067565733.db2.gz MQFPHJKTNIXRDG-SFHVURJKSA-N 0 0 455.555 4.792 20 0 JJADRN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cc(Br)ncc2Br)CC1 ZINC001460154108 1067566037 /nfs/dbraw/zinc/56/60/37/1067566037.db2.gz XCVYFYIMLGHJNZ-UHFFFAOYSA-N 0 0 456.153 4.986 20 0 JJADRN O=C(COc1cc(Cl)cc(Cl)c1)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001460153315 1067566132 /nfs/dbraw/zinc/56/61/32/1067566132.db2.gz OPAUXERMWCYMLR-HNNXBMFYSA-N 0 0 452.288 4.645 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2sc(Cl)nc2C(F)(F)F)cc1OC ZINC001460152960 1067566171 /nfs/dbraw/zinc/56/61/71/1067566171.db2.gz QKWFNOQLZXXTSW-UHFFFAOYSA-N 0 0 452.882 4.594 20 0 JJADRN CCOCc1ccccc1CNC(=O)CN1CCCC[C@H]1Cc1ccccc1Br ZINC001460161278 1067567696 /nfs/dbraw/zinc/56/76/96/1067567696.db2.gz KYSKDPDNBJTYRG-QFIPXVFZSA-N 0 0 459.428 4.699 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)Nc3nnc4ccc(Br)cn43)cs2)cc1 ZINC001460163490 1067567950 /nfs/dbraw/zinc/56/79/50/1067567950.db2.gz GTRFWIFKFCJYQE-UHFFFAOYSA-N 0 0 456.369 4.920 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC001460169010 1067568825 /nfs/dbraw/zinc/56/88/25/1067568825.db2.gz SCJNZJWPENAVPK-UHFFFAOYSA-N 0 0 456.247 4.681 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)Cc3c(OC)cc(OC)cc3OC)s2)cc1 ZINC001460170788 1067569512 /nfs/dbraw/zinc/56/95/12/1067569512.db2.gz YPMAMGGTOSMWEY-AWEZNQCLSA-N 0 0 456.564 4.514 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN[C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC001460174652 1067570613 /nfs/dbraw/zinc/57/06/13/1067570613.db2.gz AZLIYZVQTMVXHQ-NVXWUHKLSA-N 0 0 459.534 4.962 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC001460175808 1067571175 /nfs/dbraw/zinc/57/11/75/1067571175.db2.gz CYVQBZDURKSJIR-VLIAUNLRSA-N 0 0 453.327 4.542 20 0 JJADRN CC[C@H](CO)N(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176907 1067571578 /nfs/dbraw/zinc/57/15/78/1067571578.db2.gz HDSZAEOBEZWJEY-LJQANCHMSA-N 0 0 456.652 4.797 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)Cc1noc2ccc(Br)cc12)C(=O)OC(C)(C)C ZINC001460182479 1067573381 /nfs/dbraw/zinc/57/33/81/1067573381.db2.gz YIBQSFNCXDHZSV-HNNXBMFYSA-N 0 0 453.377 4.786 20 0 JJADRN COC[C@@H](CNC(=O)c1cc(I)c(C)cc1C)c1ccc(Cl)cc1 ZINC001460184395 1067573710 /nfs/dbraw/zinc/57/37/10/1067573710.db2.gz BMBMFRFOUWWPKF-OAHLLOKOSA-N 0 0 457.739 4.721 20 0 JJADRN COC[C@H](CNC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccc(Cl)cc1 ZINC001460186978 1067574574 /nfs/dbraw/zinc/57/45/74/1067574574.db2.gz JCEFSOLZOFNXAG-QHCPKHFHSA-N 0 0 450.966 4.738 20 0 JJADRN COc1c(F)cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c(OC)c1F ZINC001460187114 1067574654 /nfs/dbraw/zinc/57/46/54/1067574654.db2.gz JOFDJPVNQXWODZ-UHFFFAOYSA-N 0 0 454.473 4.626 20 0 JJADRN OC[C@@]1(Cc2ccc(F)cc2)CCN(Cc2ccc(I)c(Cl)c2)C1 ZINC001460189397 1067575002 /nfs/dbraw/zinc/57/50/02/1067575002.db2.gz YGCCKOIICUUMHJ-LJQANCHMSA-N 0 0 459.730 4.511 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(Br)cc2F)cc1OC ZINC001460190494 1067575290 /nfs/dbraw/zinc/57/52/90/1067575290.db2.gz SVGMHGZFGSXLSQ-ZIAGYGMSSA-N 0 0 453.352 4.524 20 0 JJADRN COc1cc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc(OC)c1OCc1ccccc1 ZINC001460190878 1067575373 /nfs/dbraw/zinc/57/53/73/1067575373.db2.gz ZXMBLEJJCGVKMV-UHFFFAOYSA-N 0 0 459.445 4.831 20 0 JJADRN CC(C)=CCC[C@@H](C)NC(=O)Cc1cc(Br)cc(I)c1 ZINC001460190602 1067575386 /nfs/dbraw/zinc/57/53/86/1067575386.db2.gz UENGELZUKCSBQK-GFCCVEGCSA-N 0 0 450.158 4.847 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001460192734 1067575604 /nfs/dbraw/zinc/57/56/04/1067575604.db2.gz BGVTYQZLJSZQPC-IBGZPJMESA-N 0 0 458.864 4.568 20 0 JJADRN CCOc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192046 1067575700 /nfs/dbraw/zinc/57/57/00/1067575700.db2.gz CJKWBESGQYBNAN-HOYKHHGWSA-N 0 0 459.993 4.752 20 0 JJADRN COc1ccc(-c2nc(CN3CCCC[C@@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193653 1067576092 /nfs/dbraw/zinc/57/60/92/1067576092.db2.gz FEERKOJVJBIKAN-LJQANCHMSA-N 0 0 459.612 4.851 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC001460198088 1067576816 /nfs/dbraw/zinc/57/68/16/1067576816.db2.gz OYCSRJKEZWKIDW-CQSZACIVSA-N 0 0 459.543 4.720 20 0 JJADRN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(C)C)cc1 ZINC001460197175 1067576906 /nfs/dbraw/zinc/57/69/06/1067576906.db2.gz SHFXKFXVMUILJW-UHFFFAOYSA-N 0 0 457.640 4.667 20 0 JJADRN CC[C@H](NC(=O)CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 ZINC001460199448 1067577716 /nfs/dbraw/zinc/57/77/16/1067577716.db2.gz YCTHVEARCVONGY-VQTJNVASSA-N 0 0 456.892 4.879 20 0 JJADRN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199182 1067577721 /nfs/dbraw/zinc/57/77/21/1067577721.db2.gz XKQRQTKDZHPQKH-ZWKOTPCHSA-N 0 0 453.327 4.844 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C[C@@H]1C ZINC001460203673 1067578273 /nfs/dbraw/zinc/57/82/73/1067578273.db2.gz MYBRUKYOQHQDPC-HDMKZQKVSA-N 0 0 457.621 4.569 20 0 JJADRN COc1ccc(N(CCC(=O)NC(C)(C)C2CCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001460208007 1067579231 /nfs/dbraw/zinc/57/92/31/1067579231.db2.gz AYROFHFVVRMZHI-UHFFFAOYSA-N 0 0 458.624 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCOc1ccc(F)c(Cl)c1 ZINC001460208711 1067579706 /nfs/dbraw/zinc/57/97/06/1067579706.db2.gz VFZGVWZIUZEUFV-BEVDRBHNSA-N 0 0 454.970 4.932 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCCCC1)c1cnc(C2OCCO2)s1 ZINC001460209630 1067580095 /nfs/dbraw/zinc/58/00/95/1067580095.db2.gz YYNABGGBHQKLKC-UHFFFAOYSA-N 0 0 451.386 4.583 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(F)c1 ZINC001460210025 1067580141 /nfs/dbraw/zinc/58/01/41/1067580141.db2.gz LHAUKKRICBZQSU-HSZRJFAPSA-N 0 0 456.901 4.501 20 0 JJADRN COc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)c(Br)c1 ZINC001460211054 1067580500 /nfs/dbraw/zinc/58/05/00/1067580500.db2.gz QWKSVVXQOCUWBD-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)nc1-c1ccc(Br)cc1 ZINC001460212097 1067580637 /nfs/dbraw/zinc/58/06/37/1067580637.db2.gz QAGCJEMSBGGDGY-ZIBATOQPSA-N 0 0 453.358 4.501 20 0 JJADRN C[C@H]1Cc2cc(C(=O)Nc3cc(F)c(SC(C)(C)C)c(F)c3)ccc2N1S(C)(=O)=O ZINC001460211856 1067580694 /nfs/dbraw/zinc/58/06/94/1067580694.db2.gz MLGKXDNIGLSDIP-LBPRGKRZSA-N 0 0 454.564 4.818 20 0 JJADRN CO[C@](C)(CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1 ZINC001460213646 1067580811 /nfs/dbraw/zinc/58/08/11/1067580811.db2.gz CSGCZKJODCZGQY-AREMUKBSSA-N 0 0 452.595 4.931 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CCOCC(C)C)nc1-c1ccc(Br)cc1 ZINC001460214976 1067581520 /nfs/dbraw/zinc/58/15/20/1067581520.db2.gz HDEBBPZWCNQFRG-UHFFFAOYSA-N 0 0 455.374 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2c(Cl)ccc3cccnc32)C1 ZINC001460217806 1067582102 /nfs/dbraw/zinc/58/21/02/1067582102.db2.gz KPPIRODOTADRPK-DHIUTWEWSA-N 0 0 467.997 4.871 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@@H]2C)CCS1 ZINC001546114752 1067582124 /nfs/dbraw/zinc/58/21/24/1067582124.db2.gz FIWSQTFSGMUKEQ-AVRWGWEMSA-N 0 0 474.671 4.625 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)N3CCC(F)(Cc4ccc(Cl)cc4)CC3)CC2=O)cc1 ZINC001460220187 1067582829 /nfs/dbraw/zinc/58/28/29/1067582829.db2.gz LENIHGVZUZZESY-IBGZPJMESA-N 0 0 458.961 4.665 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001460220909 1067583072 /nfs/dbraw/zinc/58/30/72/1067583072.db2.gz WDJPSSCWDPBGNS-OAQYLSRUSA-N 0 0 458.961 4.872 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1Br ZINC001460226082 1067583770 /nfs/dbraw/zinc/58/37/70/1067583770.db2.gz CCPRNDOWBVIWCB-ZDUSSCGKSA-N 0 0 459.157 4.720 20 0 JJADRN C[C@H]1[C@@H](CO)CCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225889 1067583895 /nfs/dbraw/zinc/58/38/95/1067583895.db2.gz IGWNYXKVYXWOKV-GHTZIAJQSA-N 0 0 453.583 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@H]2CCC3(CCC3)O2)C1 ZINC001460228185 1067584249 /nfs/dbraw/zinc/58/42/49/1067584249.db2.gz BGKPUDRSKDWDRH-CEMLEFRQSA-N 0 0 460.590 4.774 20 0 JJADRN Cc1cccc(OCCCCC(=O)NCc2c(Br)cncc2Br)c1 ZINC001460226847 1067584323 /nfs/dbraw/zinc/58/43/23/1067584323.db2.gz KDRJHUSTIPTADI-UHFFFAOYSA-N 0 0 456.178 4.781 20 0 JJADRN CCSCc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)no1 ZINC001460232197 1067585296 /nfs/dbraw/zinc/58/52/96/1067585296.db2.gz MOZSFZBCEJKIAS-YLJYHZDGSA-N 0 0 477.602 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2coc3c2C(=O)CCC3)C1 ZINC001460232223 1067585614 /nfs/dbraw/zinc/58/56/14/1067585614.db2.gz NOFCNHXFRMDLSS-IEBWSBKVSA-N 0 0 470.541 4.708 20 0 JJADRN COC(=O)[C@@H](N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC001460232330 1067585709 /nfs/dbraw/zinc/58/57/09/1067585709.db2.gz AZOAZPAZRZAWKI-WDYCEAGBSA-N 0 0 461.311 4.827 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC(=O)N2C)cc1 ZINC001460233781 1067586316 /nfs/dbraw/zinc/58/63/16/1067586316.db2.gz ULCAZNMSCOVNSA-LADGPHEKSA-N 0 0 454.998 4.886 20 0 JJADRN CO[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001460233836 1067586512 /nfs/dbraw/zinc/58/65/12/1067586512.db2.gz UOKLKLXPTXPALO-KPUOSGPGSA-N 0 0 462.606 4.878 20 0 JJADRN CO[C@H]1CCC[C@@H](CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001460233843 1067586697 /nfs/dbraw/zinc/58/66/97/1067586697.db2.gz UOKLKLXPTXPALO-WENLIBGGSA-N 0 0 462.606 4.878 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)CCS1 ZINC001546115008 1067587460 /nfs/dbraw/zinc/58/74/60/1067587460.db2.gz OMRHYOIIMXIBSA-UHFFFAOYSA-N 0 0 492.434 4.820 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)Cn3c(=O)sc(C)c3-c3ccc(F)cc3)C2)cc1 ZINC001460240349 1067588821 /nfs/dbraw/zinc/58/88/21/1067588821.db2.gz LFAVMOBJBLKNDO-IBGZPJMESA-N 0 0 454.567 4.514 20 0 JJADRN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242998 1067589599 /nfs/dbraw/zinc/58/95/99/1067589599.db2.gz VMKKOXVBMVNZRY-QTJGBDASSA-N 0 0 469.601 4.868 20 0 JJADRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001460245387 1067590312 /nfs/dbraw/zinc/59/03/12/1067590312.db2.gz ZLNRDWOAEFHURV-BPUTZDHNSA-N 0 0 454.411 4.813 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)CCS1 ZINC001546115053 1067590788 /nfs/dbraw/zinc/59/07/88/1067590788.db2.gz PXLZODJFTDYIET-UHFFFAOYSA-N 0 0 494.503 4.688 20 0 JJADRN C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001460247261 1067590854 /nfs/dbraw/zinc/59/08/54/1067590854.db2.gz IYFJVTAZAMLACQ-CRAIPNDOSA-N 0 0 451.323 4.700 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001460250976 1067591479 /nfs/dbraw/zinc/59/14/79/1067591479.db2.gz PCSAMBCHBCIOIA-UHFFFAOYSA-N 0 0 457.434 4.755 20 0 JJADRN COc1cc2c(cc1NC(=O)CN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251728 1067591593 /nfs/dbraw/zinc/59/15/93/1067591593.db2.gz AOYDXFPQDYMQPT-SJORKVTESA-N 0 0 452.551 4.833 20 0 JJADRN Cc1ncc(Br)cc1NC(=O)c1ccc(I)cc1Cl ZINC001460251961 1067591641 /nfs/dbraw/zinc/59/16/41/1067591641.db2.gz GWWFUHOGQRTRCR-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 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Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300036 1067601387 /nfs/dbraw/zinc/60/13/87/1067601387.db2.gz BLRFLLPZJFZXIT-QUCCMNQESA-N 0 0 459.993 4.841 20 0 JJADRN CC[C@H](NC(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001460300062 1067601753 /nfs/dbraw/zinc/60/17/53/1067601753.db2.gz CHVOXYQTQZDQNA-ZRBLBEILSA-N 0 0 457.014 4.965 20 0 JJADRN O=C(C[C@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300551 1067601941 /nfs/dbraw/zinc/60/19/41/1067601941.db2.gz FZUIQJYZUNWMMX-OAHLLOKOSA-N 0 0 455.318 4.785 20 0 JJADRN Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)nnn1Cc1ccncc1 ZINC001460302124 1067602379 /nfs/dbraw/zinc/60/23/79/1067602379.db2.gz KLPWCBVTWIQDMU-UHFFFAOYSA-N 0 0 455.305 4.776 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CC1 ZINC001460303709 1067603266 /nfs/dbraw/zinc/60/32/66/1067603266.db2.gz PIERBBOTPOURAY-OAQYLSRUSA-N 0 0 451.897 4.555 20 0 JJADRN 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20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001460348636 1067614255 /nfs/dbraw/zinc/61/42/55/1067614255.db2.gz NMMBSJNMAUUPQB-MUAOVLSHSA-N 0 0 454.533 4.715 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001460348635 1067614270 /nfs/dbraw/zinc/61/42/70/1067614270.db2.gz NMMBSJNMAUUPQB-GFBXMDILSA-N 0 0 454.533 4.715 20 0 JJADRN O=C(NC[C@@H]1CCCCC1(F)F)c1cccc(Br)c1I ZINC001460350854 1067614486 /nfs/dbraw/zinc/61/44/86/1067614486.db2.gz ZDGMGNGNTNMOQZ-VIFPVBQESA-N 0 0 458.084 4.609 20 0 JJADRN Cc1cccc2c1N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@@H]2C ZINC001460354923 1067615383 /nfs/dbraw/zinc/61/53/83/1067615383.db2.gz YHRYGHDEJFMLKO-FQEVSTJZSA-N 0 0 451.611 4.862 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001460355213 1067615818 /nfs/dbraw/zinc/61/58/18/1067615818.db2.gz BDXCLRSIGDZQHQ-PKYBCLHXSA-N 0 0 459.736 4.944 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001460355216 1067615880 /nfs/dbraw/zinc/61/58/80/1067615880.db2.gz BDXCLRSIGDZQHQ-ZQMJAJRESA-N 0 0 459.736 4.944 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001460356261 1067616507 /nfs/dbraw/zinc/61/65/07/1067616507.db2.gz OCOZSTNQHZWOIW-SFHVURJKSA-N 0 0 458.183 4.792 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC001460363974 1067619083 /nfs/dbraw/zinc/61/90/83/1067619083.db2.gz VSSXWRINVWISRN-UHFFFAOYSA-N 0 0 454.246 4.757 20 0 JJADRN CCOC(=O)C1=C(CN[C@@H](c2ccccc2F)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460366393 1067619518 /nfs/dbraw/zinc/61/95/18/1067619518.db2.gz WFQFEMZPQNBQOU-YADHBBJMSA-N 0 0 459.949 4.637 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2cc(Br)ccc2OC(F)F)c1 ZINC001460367552 1067619953 /nfs/dbraw/zinc/61/99/53/1067619953.db2.gz RYPQFCRQZWHHQK-UHFFFAOYSA-N 0 0 458.255 4.626 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460369578 1067620152 /nfs/dbraw/zinc/62/01/52/1067620152.db2.gz PEXXUOQFPJILPU-HNNXBMFYSA-N 0 0 452.389 4.977 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460370406 1067620411 /nfs/dbraw/zinc/62/04/11/1067620411.db2.gz SXBBEDQHJXUDDJ-UHFFFAOYSA-N 0 0 452.389 4.897 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1=O ZINC001460373004 1067620888 /nfs/dbraw/zinc/62/08/88/1067620888.db2.gz HMXPBIKLDLOBFA-XIKOKIGWSA-N 0 0 453.739 4.724 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccccc2OCc2cccs2)C1=O ZINC001460373958 1067620904 /nfs/dbraw/zinc/62/09/04/1067620904.db2.gz JOXJQIKCGNBYIP-JTSKRJEESA-N 0 0 452.551 4.948 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001460374500 1067621206 /nfs/dbraw/zinc/62/12/06/1067621206.db2.gz AFJCEJWYEVYZLD-SJLPKXTDSA-N 0 0 454.901 4.938 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001460375517 1067621216 /nfs/dbraw/zinc/62/12/16/1067621216.db2.gz LUNJAPKCBWFWML-FZKQIMNGSA-N 0 0 451.311 4.518 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cccc(OCc3cccs3)c2)C1=O ZINC001460376326 1067621229 /nfs/dbraw/zinc/62/12/29/1067621229.db2.gz OIOBSPLKBDJBFH-GAJHUEQPSA-N 0 0 452.551 4.948 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001460378150 1067622136 /nfs/dbraw/zinc/62/21/36/1067622136.db2.gz RUPBSECQKYAYKK-VBKZILBWSA-N 0 0 455.917 4.925 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460379637 1067622544 /nfs/dbraw/zinc/62/25/44/1067622544.db2.gz IXZUNYRCIQULFO-OALUTQOASA-N 0 0 457.014 4.955 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)cc12 ZINC001460383798 1067623277 /nfs/dbraw/zinc/62/32/77/1067623277.db2.gz WBWVIYLOGOBHDJ-IRXDYDNUSA-N 0 0 452.624 4.811 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)cc2nc1C(F)(F)F ZINC001460384854 1067623386 /nfs/dbraw/zinc/62/33/86/1067623386.db2.gz XZPKCZVDPGBVSI-HUUCEWRRSA-N 0 0 452.521 4.744 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCc2oc(C(C)C)nc2C)c1 ZINC001460391695 1067624995 /nfs/dbraw/zinc/62/49/95/1067624995.db2.gz ZSAYRDWGJBALJJ-UHFFFAOYSA-N 0 0 459.520 4.630 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccncc2)c2ccc(Br)cc2)C1 ZINC001460395641 1067626074 /nfs/dbraw/zinc/62/60/74/1067626074.db2.gz WERUMOUCGFKGCB-SFHVURJKSA-N 0 0 458.400 4.662 20 0 JJADRN O=C(O[C@H](c1cccc(Br)n1)C(F)(F)F)c1nc(Br)ccc1F ZINC001460398227 1067626592 /nfs/dbraw/zinc/62/65/92/1067626592.db2.gz BFLOIGPUTGOHCY-LLVKDONJSA-N 0 0 458.003 4.601 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2nc(C(F)(F)F)co2)cc1 ZINC001460398706 1067626878 /nfs/dbraw/zinc/62/68/78/1067626878.db2.gz HZSLSXIZPWTIJB-UHFFFAOYSA-N 0 0 456.467 4.891 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)CCc1ccccc1C ZINC001460405804 1067628087 /nfs/dbraw/zinc/62/80/87/1067628087.db2.gz NQZKIIVZGVZFRO-UHFFFAOYSA-N 0 0 456.542 4.505 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405319 1067628273 /nfs/dbraw/zinc/62/82/73/1067628273.db2.gz QWXLLQKXCVMVAT-HTAPYJJXSA-N 0 0 452.576 4.948 20 0 JJADRN Cc1ccc(NC(=O)CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1Cl ZINC001460407468 1067628708 /nfs/dbraw/zinc/62/87/08/1067628708.db2.gz JIZBQDPPWWJCCD-IBGZPJMESA-N 0 0 450.023 4.946 20 0 JJADRN O=C(O[C@H](c1cccc(Br)n1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F ZINC001460406604 1067628884 /nfs/dbraw/zinc/62/88/84/1067628884.db2.gz TUEYLESPOMPQOL-MRXNPFEDSA-N 0 0 456.193 4.901 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(Cl)c2)CCS1 ZINC001546116051 1067629181 /nfs/dbraw/zinc/62/91/81/1067629181.db2.gz FRMGHFJKVSMFOS-UHFFFAOYSA-N 0 0 461.035 4.523 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546116177 1067632182 /nfs/dbraw/zinc/63/21/82/1067632182.db2.gz KCVXDNISHNOOCD-KRWDZBQOSA-N 0 0 451.681 4.771 20 0 JJADRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC001460423594 1067632264 /nfs/dbraw/zinc/63/22/64/1067632264.db2.gz DQEMXEMYIKXVNV-VWLOTQADSA-N 0 0 451.954 4.606 20 0 JJADRN COCCCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC001460429873 1067633187 /nfs/dbraw/zinc/63/31/87/1067633187.db2.gz FUJXDMROVICWNB-UHFFFAOYSA-N 0 0 450.926 4.801 20 0 JJADRN CN(C(=O)CN1CCOC[C@H]1c1cc(F)cc(F)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460430054 1067633227 /nfs/dbraw/zinc/63/32/27/1067633227.db2.gz YTDJJFAIDIPCBO-AHWVRZQESA-N 0 0 454.492 4.725 20 0 JJADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CCC2(CCCC2=O)CC1 ZINC001460429001 1067633240 /nfs/dbraw/zinc/63/32/40/1067633240.db2.gz HGFZBLHNUVOGQO-UHFFFAOYSA-N 0 0 454.592 4.674 20 0 JJADRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc3sc(Br)cc3s2)C1 ZINC001460431273 1067633560 /nfs/dbraw/zinc/63/35/60/1067633560.db2.gz STKUYYASWADBTC-IBGZPJMESA-N 0 0 450.379 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3cnn(-c4ccc(F)cc4)c3)ccc21 ZINC001460431072 1067633581 /nfs/dbraw/zinc/63/35/81/1067633581.db2.gz SBSSYFMBCAMZPW-UHFFFAOYSA-N 0 0 450.514 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001460430153 1067633589 /nfs/dbraw/zinc/63/35/89/1067633589.db2.gz DFBPWHOHHXBUBK-VGOFRKELSA-N 0 0 456.505 4.827 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(N2CCCOC2=O)cc1 ZINC001460438642 1067634784 /nfs/dbraw/zinc/63/47/84/1067634784.db2.gz UOGCLEMWXKUNHY-DZFGPLHGSA-N 0 0 459.587 4.684 20 0 JJADRN Cc1ccoc1COC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001460445032 1067636191 /nfs/dbraw/zinc/63/61/91/1067636191.db2.gz CFELOFRPPNZYJS-LJQANCHMSA-N 0 0 457.548 4.541 20 0 JJADRN COc1ccc(CN2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1OC ZINC001460448386 1067636699 /nfs/dbraw/zinc/63/66/99/1067636699.db2.gz AURFFRSURQPFSF-ZBFHGGJFSA-N 0 0 457.409 4.592 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2nnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC001460449888 1067636603 /nfs/dbraw/zinc/63/66/03/1067636603.db2.gz JCFMPSGYZHMYEJ-JKSUJKDBSA-N 0 0 456.534 4.730 20 0 JJADRN CCc1cccc(C)c1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450031 1067637070 /nfs/dbraw/zinc/63/70/70/1067637070.db2.gz JWMTVDDQJFSAAH-QZTJIDSGSA-N 0 0 457.537 4.521 20 0 JJADRN Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c(Br)c1 ZINC001460459935 1067638034 /nfs/dbraw/zinc/63/80/34/1067638034.db2.gz IAOXDKJNXQDCCO-IEBWSBKVSA-N 0 0 455.318 4.794 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC001460467517 1067639592 /nfs/dbraw/zinc/63/95/92/1067639592.db2.gz JLFJWEATDVSXJI-QGZVFWFLSA-N 0 0 451.158 4.978 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001460471785 1067639960 /nfs/dbraw/zinc/63/99/60/1067639960.db2.gz LNFLHOHGBVIHLE-HSZRJFAPSA-N 0 0 450.579 4.822 20 0 JJADRN COCCOCc1ccc(CNC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1 ZINC001460474968 1067640823 /nfs/dbraw/zinc/64/08/23/1067640823.db2.gz BYOFADJYERQCKG-UHFFFAOYSA-N 0 0 459.521 4.771 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)NCc3ccc(C(C)(F)F)cc3)cc2)cc1 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ZINC001460721931 1067709330 /nfs/dbraw/zinc/70/93/30/1067709330.db2.gz DBTIAQZIJMPUTD-IFMALSPDSA-N 0 0 452.986 4.798 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)cc2)cc1 ZINC001460724177 1067709788 /nfs/dbraw/zinc/70/97/88/1067709788.db2.gz NVMKGUUAMPNIKY-DENIHFKCSA-N 0 0 470.616 4.532 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)[C@H]1C[C@@H](NC(=O)OCc3ccccc3)C1)CCC2 ZINC001460725107 1067710380 /nfs/dbraw/zinc/71/03/80/1067710380.db2.gz QJXUOCMNHJJLGY-KDURUIRLSA-N 0 0 457.368 4.742 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCCc3c(F)ccc(Cl)c32)=NN1c1ccccc1 ZINC001460729664 1067711268 /nfs/dbraw/zinc/71/12/68/1067711268.db2.gz ZMCDSZIATCMVGJ-FQEVSTJZSA-N 0 0 457.933 4.735 20 0 JJADRN COC(=O)[C@]12CCC[C@H]1N(Cc1csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC001460734709 1067712113 /nfs/dbraw/zinc/71/21/13/1067712113.db2.gz SVDVDARNLBVNHE-NQIIRXRSSA-N 0 0 467.513 4.764 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1ccc(OC(F)F)nc1 ZINC001460736466 1067712182 /nfs/dbraw/zinc/71/21/82/1067712182.db2.gz LDXYNTDETCXECJ-UHFFFAOYSA-N 0 0 457.662 4.596 20 0 JJADRN CCOC(=O)[C@@H](CC1CC1)NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 ZINC001460737972 1067712456 /nfs/dbraw/zinc/71/24/56/1067712456.db2.gz SEMZGFUHPFBKRE-GOSISDBHSA-N 0 0 455.502 4.668 20 0 JJADRN CCOC(=O)N1CCC[C@H](C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1 ZINC001460738519 1067712469 /nfs/dbraw/zinc/71/24/69/1067712469.db2.gz BBIMYJWJEXDFJZ-FQEVSTJZSA-N 0 0 459.587 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)CC1 ZINC001460742014 1067713430 /nfs/dbraw/zinc/71/34/30/1067713430.db2.gz ZDRPBSCOBKRWBF-UHFFFAOYSA-N 0 0 456.505 4.724 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCc3cc(F)c(F)c(F)c32)cc1 ZINC001460742368 1067713440 /nfs/dbraw/zinc/71/34/40/1067713440.db2.gz RFNHNGCMBRGKDT-UHFFFAOYSA-N 0 0 450.258 4.954 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC[C@H]1c1ccc(F)cc1 ZINC001460744076 1067713760 /nfs/dbraw/zinc/71/37/60/1067713760.db2.gz GBTVLKQYLCUYLC-OTWHNJEPSA-N 0 0 475.586 4.657 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(Br)n2)CC[C@H]1c1ccc(F)cc1 ZINC001460744058 1067713827 /nfs/dbraw/zinc/71/38/27/1067713827.db2.gz FUUFSANSYSYNFO-FUHWJXTLSA-N 0 0 478.362 4.506 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]c3ccc(Cl)cc32)CC[C@H]1c1ccc(F)cc1 ZINC001460744606 1067714017 /nfs/dbraw/zinc/71/40/17/1067714017.db2.gz JUMJHQHOLIUYDJ-FXAWDEMLSA-N 0 0 472.948 4.878 20 0 JJADRN CC(C)COc1ncccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460745447 1067714510 /nfs/dbraw/zinc/71/45/10/1067714510.db2.gz PYASNONLFQMYKZ-RBBKRZOGSA-N 0 0 471.573 4.779 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@@H]1C(F)(F)F ZINC001460751962 1067716590 /nfs/dbraw/zinc/71/65/90/1067716590.db2.gz RLDHSBFMPRSZAP-AEFFLSMTSA-N 0 0 455.546 4.869 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001460754041 1067716862 /nfs/dbraw/zinc/71/68/62/1067716862.db2.gz ARHPLJYTFRFDNI-YEJXKQKISA-N 0 0 450.432 4.763 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCCc2cc(C)cc(Br)c21)NC(C)=O ZINC001460755242 1067716897 /nfs/dbraw/zinc/71/68/97/1067716897.db2.gz BNYVKRPNVGVGLP-FQEVSTJZSA-N 0 0 459.384 4.703 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001460754036 1067716926 /nfs/dbraw/zinc/71/69/26/1067716926.db2.gz ARHPLJYTFRFDNI-LRTDBIEQSA-N 0 0 450.432 4.763 20 0 JJADRN C[C@H](c1ccc(COC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)cc1)C(F)(F)F ZINC001460754329 1067716990 /nfs/dbraw/zinc/71/69/90/1067716990.db2.gz CWNJDYGEXABOMH-DIFFPNOSSA-N 0 0 457.242 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cccc(Cn3ccnc3)c2)C1 ZINC001460755261 1067717251 /nfs/dbraw/zinc/71/72/51/1067717251.db2.gz ANMWNXICNUFMCK-XZOQPEGZSA-N 0 0 452.599 4.573 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N1CCc2ccccc2C1(C)C ZINC001460756509 1067717280 /nfs/dbraw/zinc/71/72/80/1067717280.db2.gz CLAZVCOKDCWDED-UHFFFAOYSA-N 0 0 455.723 4.887 20 0 JJADRN CC(C)c1nc(COC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)co1 ZINC001460758457 1067717624 /nfs/dbraw/zinc/71/76/24/1067717624.db2.gz GBXKQOIQNICBQM-UHFFFAOYSA-N 0 0 459.222 4.517 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C)c(C)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460757804 1067717778 /nfs/dbraw/zinc/71/77/78/1067717778.db2.gz UUYJEOWQOJWIBV-VPUSJEBWSA-N 0 0 457.574 4.816 20 0 JJADRN CCc1cccc(F)c1COC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001460760610 1067718391 /nfs/dbraw/zinc/71/83/91/1067718391.db2.gz LBXMUSBSVJAPKX-UHFFFAOYSA-N 0 0 452.511 4.518 20 0 JJADRN COc1ccc([C@H](CC(=O)OCc2cc(Cl)c(C)cc2Br)NC(C)=O)cc1 ZINC001460760138 1067718446 /nfs/dbraw/zinc/71/84/46/1067718446.db2.gz PACPQQQWZYRPNP-IBGZPJMESA-N 0 0 454.748 4.730 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001460765010 1067719462 /nfs/dbraw/zinc/71/94/62/1067719462.db2.gz NETXFTTYNXVSSI-NZQKXSOJSA-N 0 0 455.599 4.678 20 0 JJADRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773156 1067720570 /nfs/dbraw/zinc/72/05/70/1067720570.db2.gz NSYQPRCXTXJADT-SANMLTNESA-N 0 0 459.631 4.584 20 0 JJADRN CC(=O)N(c1nc(CN2CC[C@@H](c3noc(C)n3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460776185 1067721522 /nfs/dbraw/zinc/72/15/22/1067721522.db2.gz XOZVLAOJJRJNOD-CQSZACIVSA-N 0 0 451.474 4.527 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNC(C)(C)c2ccc(F)cc2F)cc1 ZINC001460785610 1067723390 /nfs/dbraw/zinc/72/33/90/1067723390.db2.gz LHCZSGOBXNBFAH-UHFFFAOYSA-N 0 0 451.517 4.667 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC001460788910 1067723908 /nfs/dbraw/zinc/72/39/08/1067723908.db2.gz PNRFDGONIIQPOT-UHFFFAOYSA-N 0 0 457.935 4.743 20 0 JJADRN Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(-c2ccc(F)cc2)n1 ZINC001460793999 1067724372 /nfs/dbraw/zinc/72/43/72/1067724372.db2.gz GAPDGGTZNYACFD-NRFANRHFSA-N 0 0 450.514 4.666 20 0 JJADRN COC[C@@H](NCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CCCOC1 ZINC001460794134 1067724453 /nfs/dbraw/zinc/72/44/53/1067724453.db2.gz YRNYGVLWAGLQAO-AUUYWEPGSA-N 0 0 458.411 4.666 20 0 JJADRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC001460796600 1067725394 /nfs/dbraw/zinc/72/53/94/1067725394.db2.gz OPKVERCGTVGIKB-MOPGFXCFSA-N 0 0 454.567 4.568 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCc2ccc(Br)c(F)c2C1 ZINC001460797462 1067725796 /nfs/dbraw/zinc/72/57/96/1067725796.db2.gz XZEPYXAXVBFRAH-JTQLQIEISA-N 0 0 452.324 4.722 20 0 JJADRN Cc1nc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)cc(-c2ccc(F)cc2)n1 ZINC001460797113 1067725834 /nfs/dbraw/zinc/72/58/34/1067725834.db2.gz MJQKKCMTFISPOG-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN Cc1cc(C)n(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798592 1067726092 /nfs/dbraw/zinc/72/60/92/1067726092.db2.gz YNKBLNWQYIGYBS-UXHICEINSA-N 0 0 452.521 4.767 20 0 JJADRN CCN(c1ccnc(NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)n1)C1CCCC1 ZINC001460799192 1067726183 /nfs/dbraw/zinc/72/61/83/1067726183.db2.gz COCGSGOBSRWJIK-UHFFFAOYSA-N 0 0 453.568 4.639 20 0 JJADRN CCN(c1ccnc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)n1)C1CCCC1 ZINC001460800573 1067726491 /nfs/dbraw/zinc/72/64/91/1067726491.db2.gz INNDHDGQCOKQTL-UHFFFAOYSA-N 0 0 453.568 4.639 20 0 JJADRN C[C@H](OC(=O)c1ccc(I)c(Br)c1)c1cncc(F)c1 ZINC001460803143 1067726927 /nfs/dbraw/zinc/72/69/27/1067726927.db2.gz WXZYMXMWFHMYRG-QMMMGPOBSA-N 0 0 450.045 4.506 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(CC(C)(C)C)c2ccccn2)c1)c1ccccc1 ZINC001460805082 1067727284 /nfs/dbraw/zinc/72/72/84/1067727284.db2.gz BNWBCLDPFOSYBZ-IBGZPJMESA-N 0 0 451.592 4.814 20 0 JJADRN CCOCc1ccc(CNC(=O)CN2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1 ZINC001460805235 1067727382 /nfs/dbraw/zinc/72/73/82/1067727382.db2.gz WMOBZCHJYSWMEE-DEOSSOPVSA-N 0 0 459.428 4.699 20 0 JJADRN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCCc2cc(Cl)cc(Br)c21 ZINC001460807784 1067727735 /nfs/dbraw/zinc/72/77/35/1067727735.db2.gz IDWFGTAETPNTJF-QGZVFWFLSA-N 0 0 455.686 4.853 20 0 JJADRN Fc1cccc(Cl)c1-c1nc(CN2CCCC[C@@H]2c2ncc(Br)cn2)no1 ZINC001460809211 1067728235 /nfs/dbraw/zinc/72/82/35/1067728235.db2.gz XRKMBCLTEQALMQ-CQSZACIVSA-N 0 0 452.715 4.809 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c(Cl)cc1Cl ZINC001460810240 1067728309 /nfs/dbraw/zinc/72/83/09/1067728309.db2.gz MMQRPQGYCKVZLX-PTAUBWNISA-N 0 0 473.397 4.885 20 0 JJADRN Cc1c(C(=O)Oc2ccc(Br)c(Cl)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001460812469 1067728761 /nfs/dbraw/zinc/72/87/61/1067728761.db2.gz BKWNNECVISUIFP-UHFFFAOYSA-N 0 0 450.720 4.998 20 0 JJADRN COC(=O)[C@@](C)(NCCCCCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001460822932 1067729807 /nfs/dbraw/zinc/72/98/07/1067729807.db2.gz YHPFUOHRPJOFHO-NRFANRHFSA-N 0 0 457.409 4.512 20 0 JJADRN COc1ccc(Br)cc1CN1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001460823895 1067729838 /nfs/dbraw/zinc/72/98/38/1067729838.db2.gz AEGDELMGSRIYKJ-UHFFFAOYSA-N 0 0 459.384 4.835 20 0 JJADRN OC[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1C(F)(F)F ZINC001460826213 1067730218 /nfs/dbraw/zinc/73/02/18/1067730218.db2.gz ATRRUJLIHWBOKG-SFHVURJKSA-N 0 0 452.274 4.748 20 0 JJADRN Cc1cc(NC(=O)CN2CCc3cc(F)c(Br)cc3C2)ccc1Br ZINC001460829372 1067730752 /nfs/dbraw/zinc/73/07/52/1067730752.db2.gz UKKSVGRGTCWMFA-UHFFFAOYSA-N 0 0 456.153 4.656 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCc2cc(F)c(Br)cc2C1 ZINC001460829413 1067730767 /nfs/dbraw/zinc/73/07/67/1067730767.db2.gz URTPPYGZTWQVJD-LBPRGKRZSA-N 0 0 455.755 4.944 20 0 JJADRN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1OC(F)F ZINC001460829701 1067731131 /nfs/dbraw/zinc/73/11/31/1067731131.db2.gz LKKNNIDEAVHWCP-UHFFFAOYSA-N 0 0 455.479 4.638 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)c2ccccc21 ZINC001460837470 1067731834 /nfs/dbraw/zinc/73/18/34/1067731834.db2.gz PBBJDQJMDLZHTD-HSZRJFAPSA-N 0 0 451.611 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2CCSc2ccncc2)c2ccccc21 ZINC001460836042 1067731857 /nfs/dbraw/zinc/73/18/57/1067731857.db2.gz VEFMASRQHVIACL-UXHICEINSA-N 0 0 455.624 4.804 20 0 JJADRN C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001460837898 1067732435 /nfs/dbraw/zinc/73/24/35/1067732435.db2.gz REJFBRSZKORVMN-BEFAXECRSA-N 0 0 459.414 4.517 20 0 JJADRN COc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c(Cl)c(OC)c1 ZINC001460841129 1067732727 /nfs/dbraw/zinc/73/27/27/1067732727.db2.gz MLMPZJQCXAZSFC-UHFFFAOYSA-N 0 0 458.873 4.766 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H](C)C3CCCC3)nnc2-c2cccnc2)cc1 ZINC001460844749 1067733433 /nfs/dbraw/zinc/73/34/33/1067733433.db2.gz GLITYBSDBIBENG-KRWDZBQOSA-N 0 0 451.596 4.515 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)CCS1 ZINC001546119510 1067733917 /nfs/dbraw/zinc/73/39/17/1067733917.db2.gz FOANNPOSYJRDCV-DEOSSOPVSA-N 0 0 486.085 4.937 20 0 JJADRN CC[C@@](CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)(C(=O)OC)c1ccccc1 ZINC001460848680 1067734420 /nfs/dbraw/zinc/73/44/20/1067734420.db2.gz IDOROCVCPAKUPY-NRFANRHFSA-N 0 0 450.482 4.874 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC001546119600 1067735655 /nfs/dbraw/zinc/73/56/55/1067735655.db2.gz JHTSFUXDKRMBJL-RTWAWAEBSA-N 0 0 458.672 4.563 20 0 JJADRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@H](c3cnccn3)C2)cc1 ZINC001460857610 1067735973 /nfs/dbraw/zinc/73/59/73/1067735973.db2.gz LUMAHTWQZNWHQQ-QGZVFWFLSA-N 0 0 452.942 4.749 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3c(C)ccc(Cl)c32)ccc1Cl ZINC001460863254 1067736678 /nfs/dbraw/zinc/73/66/78/1067736678.db2.gz QFFUJPGRYZQTIJ-UHFFFAOYSA-N 0 0 455.407 4.925 20 0 JJADRN Cc1ccc(Cl)c2c1CCCN2C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001460863175 1067736893 /nfs/dbraw/zinc/73/68/93/1067736893.db2.gz PECIGTDJGXKHSZ-UHFFFAOYSA-N 0 0 456.789 4.716 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c3cccc(C)c3)sc2c1 ZINC001460873490 1067739441 /nfs/dbraw/zinc/73/94/41/1067739441.db2.gz YIFXYNPWCWUDIM-OAQYLSRUSA-N 0 0 455.580 4.615 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc(Br)s1 ZINC001460873891 1067739969 /nfs/dbraw/zinc/73/99/69/1067739969.db2.gz USCULLMNIIGEJS-UHFFFAOYSA-N 0 0 458.219 4.668 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2CC[C@](C)(O)c2ccccc2)CCS1 ZINC001546119775 1067740410 /nfs/dbraw/zinc/74/04/10/1067740410.db2.gz PNACEIYTRJFITN-VWLOTQADSA-N 0 0 465.667 4.674 20 0 JJADRN COCC1CCC(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001460880351 1067741448 /nfs/dbraw/zinc/74/14/48/1067741448.db2.gz OCTQGLUEXFWDRK-UHFFFAOYSA-N 0 0 457.621 4.619 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(C)(C)O)c2)CCS1 ZINC001546119823 1067741637 /nfs/dbraw/zinc/74/16/37/1067741637.db2.gz RMCBIZIILUOPIS-UHFFFAOYSA-N 0 0 482.698 4.527 20 0 JJADRN C[C@@H](NC(=O)CN1CCC(c2nc3c(s2)CCC3)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460883914 1067742367 /nfs/dbraw/zinc/74/23/67/1067742367.db2.gz AOLBSGHHDBIMSH-CQSZACIVSA-N 0 0 453.530 4.587 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)cc2OC)CCS1 ZINC001546119895 1067742988 /nfs/dbraw/zinc/74/29/88/1067742988.db2.gz UPCJPHGZVWJPBK-UHFFFAOYSA-N 0 0 487.695 4.811 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CCS1 ZINC001546119879 1067743109 /nfs/dbraw/zinc/74/31/09/1067743109.db2.gz TVWMQAZDHUIWTG-FNZWTVRRSA-N 0 0 472.699 4.735 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(Cc1ccc(S(=O)(=O)C(F)F)cc1)C2 ZINC001460887343 1067743451 /nfs/dbraw/zinc/74/34/51/1067743451.db2.gz SDBYYPKTYYKSTR-UHFFFAOYSA-N 0 0 452.523 4.588 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN([C@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)C2 ZINC001460889603 1067743698 /nfs/dbraw/zinc/74/36/98/1067743698.db2.gz JYERAYVBWIRYAN-NRFANRHFSA-N 0 0 459.949 4.990 20 0 JJADRN COc1ccc(Br)cc1CN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460889171 1067743718 /nfs/dbraw/zinc/74/37/18/1067743718.db2.gz MZLPQPFVPCDFMW-LJQANCHMSA-N 0 0 455.190 4.704 20 0 JJADRN CC[C@@H](C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)c1ccc(OC)cc1 ZINC001460888880 1067744005 /nfs/dbraw/zinc/74/40/05/1067744005.db2.gz CXDRKPGIPUKWKW-MRXNPFEDSA-N 0 0 451.336 4.566 20 0 JJADRN C[C@H]1CN(C(=O)c2c(Br)cccc2Br)CCN1Cc1ccccc1 ZINC001460892362 1067744679 /nfs/dbraw/zinc/74/46/79/1067744679.db2.gz WEMXVPZISXDLBA-AWEZNQCLSA-N 0 0 452.190 4.558 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)c1cnc(Cc2ccccc2)s1 ZINC001460893573 1067744840 /nfs/dbraw/zinc/74/48/40/1067744840.db2.gz DSLFRGDAQHLRMY-UHFFFAOYSA-N 0 0 456.255 4.869 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)N(C(=O)OCc2ccccc2)C1 ZINC001460893655 1067745228 /nfs/dbraw/zinc/74/52/28/1067745228.db2.gz FIDWMEBKKJXCOU-KZKAQZJJSA-N 0 0 456.970 4.518 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3(C)C)cs2)cc1 ZINC001460896828 1067745413 /nfs/dbraw/zinc/74/54/13/1067745413.db2.gz OTVPONVGHPQZNW-LJQANCHMSA-N 0 0 459.612 4.656 20 0 JJADRN CCC1(CC)CN(c2nnc(CC3CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCS1 ZINC001546120030 1067745424 /nfs/dbraw/zinc/74/54/24/1067745424.db2.gz ZPUUQTCMEWGFMX-LJQANCHMSA-N 0 0 465.708 4.892 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Nc1c(F)cc(I)cc1F ZINC001460898014 1067745458 /nfs/dbraw/zinc/74/54/58/1067745458.db2.gz NXUKXXLGESJAPE-UHFFFAOYSA-N 0 0 453.173 4.699 20 0 JJADRN O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001460906086 1067746176 /nfs/dbraw/zinc/74/61/76/1067746176.db2.gz LEVWKVVOOFGMGO-TZMCWYRMSA-N 0 0 457.294 4.605 20 0 JJADRN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001460906083 1067746194 /nfs/dbraw/zinc/74/61/94/1067746194.db2.gz LEVWKVVOOFGMGO-OCCSQVGLSA-N 0 0 457.294 4.605 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001460910108 1067746668 /nfs/dbraw/zinc/74/66/68/1067746668.db2.gz CFSWEKWLKHLNBH-PKOBYXMFSA-N 0 0 450.398 4.651 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915944 1067747690 /nfs/dbraw/zinc/74/76/90/1067747690.db2.gz HBNLEDIKFHORQR-DEOSSOPVSA-N 0 0 457.596 4.572 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001460919099 1067748046 /nfs/dbraw/zinc/74/80/46/1067748046.db2.gz DOCXOGUVDBIQCC-GFCCVEGCSA-N 0 0 458.506 4.589 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1cccc(Cl)c1 ZINC001460919499 1067748130 /nfs/dbraw/zinc/74/81/30/1067748130.db2.gz LMCCIEUMJDHCOF-LJQANCHMSA-N 0 0 452.780 4.712 20 0 JJADRN CCC[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1cccc(Cl)c1 ZINC001460921612 1067748408 /nfs/dbraw/zinc/74/84/08/1067748408.db2.gz VOJAPVCTTJHLCC-INIZCTEOSA-N 0 0 452.780 4.857 20 0 JJADRN O=C(CCCc1ccc2c(c1)CCCC2)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC001460922021 1067748438 /nfs/dbraw/zinc/74/84/38/1067748438.db2.gz WANRZCLYSPYBJF-UHFFFAOYSA-N 0 0 458.400 4.521 20 0 JJADRN C[C@@H](NC(=O)CN1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922514 1067748784 /nfs/dbraw/zinc/74/87/84/1067748784.db2.gz WQMMRPFGALGSCV-IVZQSRNASA-N 0 0 456.414 4.646 20 0 JJADRN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001460925129 1067749141 /nfs/dbraw/zinc/74/91/41/1067749141.db2.gz ZAMGHAVGJDRJPK-UHFFFAOYSA-N 0 0 457.865 4.574 20 0 JJADRN CC(C)OC(=O)C(C)(C)NC[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001460926595 1067749498 /nfs/dbraw/zinc/74/94/98/1067749498.db2.gz VNPDMLXHLWDVAB-FQEVSTJZSA-N 0 0 454.394 4.780 20 0 JJADRN CCSc1ccc(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c(Br)c1 ZINC001460926613 1067749616 /nfs/dbraw/zinc/74/96/16/1067749616.db2.gz VSDCBNLJIZGIEF-HZPDHXFCSA-N 0 0 472.392 4.503 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CCCc2c(Br)cccc21 ZINC001460930819 1067749963 /nfs/dbraw/zinc/74/99/63/1067749963.db2.gz CIFYXNJCIDPQTD-UHFFFAOYSA-N 0 0 451.386 4.695 20 0 JJADRN C[C@H](NC(=O)CN1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1Cl ZINC001460931760 1067750348 /nfs/dbraw/zinc/75/03/48/1067750348.db2.gz AKSJWSDBDGQAHQ-WMKMYWHRSA-N 0 0 456.414 4.692 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@@H]1C ZINC001460939742 1067751251 /nfs/dbraw/zinc/75/12/51/1067751251.db2.gz OAVHCKGJHTXVEQ-FZONSQQESA-N 0 0 457.640 4.972 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3cccc(Br)c3OC(F)F)CCO2)cc1OC ZINC001460942807 1067751471 /nfs/dbraw/zinc/75/14/71/1067751471.db2.gz DXWXEFCASULNIV-SFHVURJKSA-N 0 0 458.299 4.641 20 0 JJADRN CCCc1nc(C(=O)N[C@H](c2ccco2)c2ccc(OC)cc2)nn1-c1ccccc1Cl ZINC001460942418 1067751668 /nfs/dbraw/zinc/75/16/68/1067751668.db2.gz BZBKKUQEUGRYGN-QFIPXVFZSA-N 0 0 450.926 4.994 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)CCN1C(=O)c3ccc(Br)cc3C1=O)CCC2 ZINC001460946774 1067751949 /nfs/dbraw/zinc/75/19/49/1067751949.db2.gz OFQJRLFJVZVDDE-UHFFFAOYSA-N 0 0 455.352 4.538 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C(F)(F)F ZINC001460944028 1067752028 /nfs/dbraw/zinc/75/20/28/1067752028.db2.gz DQAMNEWAIPNNRA-AWEZNQCLSA-N 0 0 451.436 4.602 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 ZINC001460945520 1067752046 /nfs/dbraw/zinc/75/20/46/1067752046.db2.gz GYXZSTSQJWTEEW-UHFFFAOYSA-N 0 0 458.580 4.561 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)Oc3ccc(Br)c(C(F)(F)F)c3)c2n1 ZINC001460951723 1067752755 /nfs/dbraw/zinc/75/27/55/1067752755.db2.gz XPWTZSAJUMWXAL-UHFFFAOYSA-N 0 0 450.161 4.976 20 0 JJADRN O=C(NCc1cc(Cl)cc(Br)c1)C(F)(F)c1ncccc1Br ZINC001460953241 1067753020 /nfs/dbraw/zinc/75/30/20/1067753020.db2.gz RGNQMJICMYTEHK-UHFFFAOYSA-N 0 0 454.496 4.668 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CCOc4c(F)c(F)ccc43)cc21 ZINC001460955070 1067753048 /nfs/dbraw/zinc/75/30/48/1067753048.db2.gz YLMSDYFFYMFOKD-QGZVFWFLSA-N 0 0 458.505 4.949 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)[C@@H](C)c2ccc(I)cc2)c1 ZINC001460956636 1067753473 /nfs/dbraw/zinc/75/34/73/1067753473.db2.gz ONPDSJYYTJSNIS-LBPRGKRZSA-N 0 0 458.137 4.782 20 0 JJADRN C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C1CC1 ZINC001460957193 1067753563 /nfs/dbraw/zinc/75/35/63/1067753563.db2.gz INCCQZIALKXHHU-BCHFMIIMSA-N 0 0 456.533 4.668 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001460963143 1067753777 /nfs/dbraw/zinc/75/37/77/1067753777.db2.gz UTHDRUMVJXAPEA-UHFFFAOYSA-N 0 0 459.924 4.972 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N(C)c3ccc(C(=O)NC(C)(C)C)cc3)cs2)cc1 ZINC001460964686 1067753929 /nfs/dbraw/zinc/75/39/29/1067753929.db2.gz PLTLKJACUVWENE-UHFFFAOYSA-N 0 0 451.592 4.764 20 0 JJADRN C[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)CC(F)(F)F ZINC001460966746 1067754217 /nfs/dbraw/zinc/75/42/17/1067754217.db2.gz WUXWFKPSFDSSJR-GFCCVEGCSA-N 0 0 458.893 4.978 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[C@]4(CCOC4=O)C3)n2)cc1 ZINC001460971248 1067754701 /nfs/dbraw/zinc/75/47/01/1067754701.db2.gz GOVUDZSROICJCS-CJAUYULYSA-N 0 0 455.624 4.899 20 0 JJADRN COC(=O)[C@H](c1ccccc1Cl)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975283 1067755161 /nfs/dbraw/zinc/75/51/61/1067755161.db2.gz FYPAKMYCBAVVIM-PXNSSMCTSA-N 0 0 451.007 4.961 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980042 1067756052 /nfs/dbraw/zinc/75/60/52/1067756052.db2.gz YBNAQANZPHNRHC-KCYKTTMJSA-N 0 0 458.628 4.640 20 0 JJADRN Cc1oc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(F)c2)cc1S(=O)(=O)N(C)C ZINC001460981519 1067756358 /nfs/dbraw/zinc/75/63/58/1067756358.db2.gz YCLPWAPVVIGGMO-UHFFFAOYSA-N 0 0 452.891 4.675 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982889 1067756435 /nfs/dbraw/zinc/75/64/35/1067756435.db2.gz SCNFWOZDKZANEZ-GHTZIAJQSA-N 0 0 457.615 4.623 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1csnn1 ZINC001460980219 1067756538 /nfs/dbraw/zinc/75/65/38/1067756538.db2.gz VDWHHMYXWCLKLP-ZDUSSCGKSA-N 0 0 454.353 4.644 20 0 JJADRN C[C@H](CC(=O)OCc1c(Br)cc(F)c(F)c1F)n1cc(Br)cn1 ZINC001460991923 1067758845 /nfs/dbraw/zinc/75/88/45/1067758845.db2.gz BQCWDKAJCSWJOP-SSDOTTSWSA-N 0 0 456.056 4.520 20 0 JJADRN CCc1nc(C(=O)OCc2c(Br)cc(F)c(F)c2F)nn1-c1ccccc1F ZINC001460995058 1067759875 /nfs/dbraw/zinc/75/98/75/1067759875.db2.gz OAJGRMNSHPXVAC-UHFFFAOYSA-N 0 0 458.209 4.506 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001460999544 1067760108 /nfs/dbraw/zinc/76/01/08/1067760108.db2.gz CTUAQUZZQXTDTG-UHFFFAOYSA-N 0 0 453.308 4.874 20 0 JJADRN Cc1cc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001460998087 1067760139 /nfs/dbraw/zinc/76/01/39/1067760139.db2.gz QBIDJLVTXYNTDF-UHFFFAOYSA-N 0 0 455.386 4.911 20 0 JJADRN Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)nn1C(C)C ZINC001460997863 1067760181 /nfs/dbraw/zinc/76/01/81/1067760181.db2.gz WSIQZXQBDBAEQY-UHFFFAOYSA-N 0 0 450.543 4.890 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)N2CCCCC2)n1 ZINC001461000261 1067760541 /nfs/dbraw/zinc/76/05/41/1067760541.db2.gz MBYHLITWNMHQEP-INIZCTEOSA-N 0 0 450.004 4.515 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1nc(C(F)(F)F)no1 ZINC001461007210 1067761319 /nfs/dbraw/zinc/76/13/19/1067761319.db2.gz FHTSRCHSYGIYQA-SSDOTTSWSA-N 0 0 451.257 4.939 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)c1C ZINC001461007445 1067761658 /nfs/dbraw/zinc/76/16/58/1067761658.db2.gz XYMXPWZPUUCJEP-UHFFFAOYSA-N 0 0 453.720 4.634 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)c1C ZINC001461016209 1067762278 /nfs/dbraw/zinc/76/22/78/1067762278.db2.gz IDFSXZDEMBHEAT-GOSISDBHSA-N 0 0 454.368 4.799 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)c1C ZINC001461016216 1067762559 /nfs/dbraw/zinc/76/25/59/1067762559.db2.gz IDFSXZDEMBHEAT-SFHVURJKSA-N 0 0 454.368 4.799 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001461022850 1067763602 /nfs/dbraw/zinc/76/36/02/1067763602.db2.gz PUPASWDXRHFMEU-CGTJXYLNSA-N 0 0 451.380 4.525 20 0 JJADRN O=C(COc1cccc(I)c1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001461022445 1067763611 /nfs/dbraw/zinc/76/36/11/1067763611.db2.gz KBJDDQRPMHJBAQ-PBHICJAKSA-N 0 0 455.723 4.776 20 0 JJADRN CCCCCCn1nc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c2ccccc2c1=O ZINC001461025019 1067763982 /nfs/dbraw/zinc/76/39/82/1067763982.db2.gz LLKWZHSKTFVPLI-RTBURBONSA-N 0 0 455.599 4.559 20 0 JJADRN CC1(C)CCc2sc(NC(=O)CCCOc3ccc(I)cc3)nc21 ZINC001461026429 1067764463 /nfs/dbraw/zinc/76/44/63/1067764463.db2.gz LMGYWNGDXBEJQW-UHFFFAOYSA-N 0 0 456.349 4.769 20 0 JJADRN Cn1ccnc1[C@@H](NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1F ZINC001461025281 1067764483 /nfs/dbraw/zinc/76/44/83/1067764483.db2.gz XUTJVDNJONONOM-QHCPKHFHSA-N 0 0 450.558 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCSC2(C)C)CCS1 ZINC001546120926 1067764749 /nfs/dbraw/zinc/76/47/49/1067764749.db2.gz FANVMQPVRDTBHF-KRWDZBQOSA-N 0 0 493.768 4.913 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)OC)CCS1 ZINC001546120929 1067765065 /nfs/dbraw/zinc/76/50/65/1067765065.db2.gz FCANKNHXRTVLAU-INIZCTEOSA-N 0 0 483.476 4.767 20 0 JJADRN CCc1cc2c(CC(=O)N3c4ccccc4C[C@@H]3CNC(=O)C(F)(F)F)csc2s1 ZINC001461028761 1067765204 /nfs/dbraw/zinc/76/52/04/1067765204.db2.gz ZRGXGZZSBSEALJ-CQSZACIVSA-N 0 0 452.523 4.704 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)nc2C1 ZINC001461034612 1067766221 /nfs/dbraw/zinc/76/62/21/1067766221.db2.gz YLBJSHHEDBCIPA-MGPUTAFESA-N 0 0 456.951 4.833 20 0 JJADRN COC(=O)[C@@H]1CCc2sc(NC(=O)c3cc4cc(Br)ccc4s3)nc2C1 ZINC001461033881 1067766367 /nfs/dbraw/zinc/76/63/67/1067766367.db2.gz UTPKFLXIVMVFGP-SECBINFHSA-N 0 0 451.367 4.651 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c1 ZINC001461036983 1067766900 /nfs/dbraw/zinc/76/69/00/1067766900.db2.gz BYWSVMZIUXEUJI-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)s1 ZINC001461037172 1067767010 /nfs/dbraw/zinc/76/70/10/1067767010.db2.gz AZDWAAUTWYNZDT-GFCCVEGCSA-N 0 0 456.911 4.520 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461038554 1067767220 /nfs/dbraw/zinc/76/72/20/1067767220.db2.gz QLNWGAGDRCFZOR-NRFANRHFSA-N 0 0 455.396 4.742 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461038991 1067767638 /nfs/dbraw/zinc/76/76/38/1067767638.db2.gz IKWQIHSTGMTWGM-UHFFFAOYSA-N 0 0 454.530 4.737 20 0 JJADRN COCC(C)(C)N1CCN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)CC1 ZINC001461045637 1067768962 /nfs/dbraw/zinc/76/89/62/1067768962.db2.gz CUBDZSRJYAWCBL-UHFFFAOYSA-N 0 0 459.637 4.673 20 0 JJADRN O=C(c1cc(I)ccc1N1CCCCC1)N1CC[C@H](C2CCCC2)C1 ZINC001461045855 1067768996 /nfs/dbraw/zinc/76/89/96/1067768996.db2.gz VQOVABUHOFGJED-KRWDZBQOSA-N 0 0 452.380 4.934 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)c3ccccc23)C[C@H]1c1ccc(F)cc1F ZINC001461051678 1067769866 /nfs/dbraw/zinc/76/98/66/1067769866.db2.gz RHBSZIANOJCJLP-RBUKOAKNSA-N 0 0 459.876 4.565 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@H]1c1ccc(F)cc1F ZINC001461051804 1067770326 /nfs/dbraw/zinc/77/03/26/1067770326.db2.gz UDFXOSWMZVNSOM-LSDHHAIUSA-N 0 0 460.329 4.779 20 0 JJADRN FC(F)(F)Oc1ccc(CC[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC001461056322 1067771420 /nfs/dbraw/zinc/77/14/20/1067771420.db2.gz NKLUEUHSRHXYAA-UHFFFAOYSA-N 0 0 454.084 4.838 20 0 JJADRN Cc1ccc(C2(NC(=O)c3ccc(Cn4ccnn4)cc3)CCCCC2)c(Br)c1 ZINC001461056698 1067771764 /nfs/dbraw/zinc/77/17/64/1067771764.db2.gz GUJKKQATWIRYGR-UHFFFAOYSA-N 0 0 453.384 4.987 20 0 JJADRN Cc1ccc(C2(NC(=O)CN3CCc4ccccc4C3=O)CCCCC2)c(Br)c1 ZINC001461059031 1067772081 /nfs/dbraw/zinc/77/20/81/1067772081.db2.gz PFNGBBVHFBEDFB-UHFFFAOYSA-N 0 0 455.396 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(C)cc2)CCS1 ZINC001546121159 1067772490 /nfs/dbraw/zinc/77/24/90/1067772490.db2.gz MTELEZGFGFQENB-UHFFFAOYSA-N 0 0 483.707 4.933 20 0 JJADRN CC(C)C[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)C(=O)OC(C)(C)C ZINC001461059969 1067772531 /nfs/dbraw/zinc/77/25/31/1067772531.db2.gz AMSKVJJFKYIOJD-KRWDZBQOSA-N 0 0 453.023 4.736 20 0 JJADRN Cc1sc(Br)nc1C(=O)Nc1ccc(Cl)c(I)c1 ZINC001461065208 1067773807 /nfs/dbraw/zinc/77/38/07/1067773807.db2.gz FMCUEIOOWIZYBY-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(=O)OC(C)(C)C ZINC001461064631 1067773816 /nfs/dbraw/zinc/77/38/16/1067773816.db2.gz ZLGOVALXVWXUPE-UHFFFAOYSA-N 0 0 450.377 4.513 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2)CCS1 ZINC001546121289 1067774917 /nfs/dbraw/zinc/77/49/17/1067774917.db2.gz RQBNWQLRMXKXHT-KRWDZBQOSA-N 0 0 479.741 4.667 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(C)c2)CCS1 ZINC001546121313 1067775281 /nfs/dbraw/zinc/77/52/81/1067775281.db2.gz SMJKPPKKZYMXLT-UHFFFAOYSA-N 0 0 487.670 4.877 20 0 JJADRN CN(C(=O)CSCC(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1)C1CCCCC1 ZINC001461071407 1067776019 /nfs/dbraw/zinc/77/60/19/1067776019.db2.gz IXBSZKTVBJTWRC-UHFFFAOYSA-N 0 0 450.608 4.617 20 0 JJADRN COc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3cc(Cl)ccc3OC)CC1)CCCC2 ZINC001461071699 1067776036 /nfs/dbraw/zinc/77/60/36/1067776036.db2.gz JBONOEMDPRUQPP-UHFFFAOYSA-N 0 0 456.970 4.579 20 0 JJADRN COc1ccccc1OCC(=O)Nc1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC001461071517 1067776080 /nfs/dbraw/zinc/77/60/80/1067776080.db2.gz JAOXUXUDPMSGAM-UHFFFAOYSA-N 0 0 454.910 4.749 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc(Cl)cc(I)c1 ZINC001461074176 1067776422 /nfs/dbraw/zinc/77/64/22/1067776422.db2.gz BEEYFIMDSACKOO-JTQLQIEISA-N 0 0 450.103 4.682 20 0 JJADRN CCCc1c(C(=O)NCc2cc(Cl)cc(I)c2)[nH]c(C)c1C(C)=O ZINC001461074831 1067776755 /nfs/dbraw/zinc/77/67/55/1067776755.db2.gz HMSSNJPYZQNWKO-UHFFFAOYSA-N 0 0 458.727 4.666 20 0 JJADRN Cc1noc2nc(C3CC3)cc(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)c12 ZINC001461077223 1067777035 /nfs/dbraw/zinc/77/70/35/1067777035.db2.gz NDIYJZINWIOOQG-UHFFFAOYSA-N 0 0 458.209 4.658 20 0 JJADRN CC(C)c1noc2ncc(C(=O)NCc3cc(Cl)cc(I)c3)cc21 ZINC001461076160 1067777103 /nfs/dbraw/zinc/77/71/03/1067777103.db2.gz OJNFRTGBDLLFLN-UHFFFAOYSA-N 0 0 455.683 4.534 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNc1ccc(OCCC(N)=O)cc1 ZINC001461077469 1067777292 /nfs/dbraw/zinc/77/72/92/1067777292.db2.gz BHUDHRKWPOPGHG-UHFFFAOYSA-N 0 0 452.864 4.719 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461083415 1067778067 /nfs/dbraw/zinc/77/80/67/1067778067.db2.gz BRMYFMAAGKDVKI-MDNKFWRPSA-N 0 0 453.421 4.834 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461083407 1067778091 /nfs/dbraw/zinc/77/80/91/1067778091.db2.gz BRMYFMAAGKDVKI-AFYVEPGGSA-N 0 0 453.421 4.834 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2ccnc2C)CCS1 ZINC001546121464 1067778374 /nfs/dbraw/zinc/77/83/74/1067778374.db2.gz ZQKJFCYTICTFCL-UHFFFAOYSA-N 0 0 468.671 4.791 20 0 JJADRN O=C(c1ccccc1OCC1CC1)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461083991 1067778400 /nfs/dbraw/zinc/77/84/00/1067778400.db2.gz DMWADQOAAGJQMK-UHFFFAOYSA-N 0 0 452.352 4.917 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461086907 1067779247 /nfs/dbraw/zinc/77/92/47/1067779247.db2.gz OGQHGOMMQWSKBV-CYBMUJFWSA-N 0 0 452.761 4.933 20 0 JJADRN O=C(c1cc(F)c(F)cc1Cl)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461088234 1067779476 /nfs/dbraw/zinc/77/94/76/1067779476.db2.gz RMZGEKWOSIOOEJ-UHFFFAOYSA-N 0 0 455.690 4.709 20 0 JJADRN CCC(=O)c1cc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)ccc1F ZINC001461089659 1067779965 /nfs/dbraw/zinc/77/99/65/1067779965.db2.gz ZZMGZHZQEMYTNI-UHFFFAOYSA-N 0 0 456.315 4.860 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)n2)cc1 ZINC001461091746 1067780112 /nfs/dbraw/zinc/78/01/12/1067780112.db2.gz AWUVGEHPPFZZNE-IBGZPJMESA-N 0 0 456.589 4.889 20 0 JJADRN CCC1(CC)CCc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)sc2C1 ZINC001461093710 1067780626 /nfs/dbraw/zinc/78/06/26/1067780626.db2.gz KTDPDKIEGZJMER-UHFFFAOYSA-N 0 0 456.033 4.594 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2nccnc2Sc2ccccc2)cc1 ZINC001461095010 1067780890 /nfs/dbraw/zinc/78/08/90/1067780890.db2.gz FXYOPPOSEQHPAU-UHFFFAOYSA-N 0 0 450.564 4.583 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461099121 1067781665 /nfs/dbraw/zinc/78/16/65/1067781665.db2.gz YXDXPAWCWVFORT-UHFFFAOYSA-N 0 0 454.958 4.789 20 0 JJADRN CCOC(=O)c1nc2ccccc2cc1NC(=O)CCCOc1ccccc1Br ZINC001461107577 1067783049 /nfs/dbraw/zinc/78/30/49/1067783049.db2.gz IPOHFCJDDKJGNF-UHFFFAOYSA-N 0 0 457.324 4.972 20 0 JJADRN O=C(CCSc1ccccc1Br)OCc1cc(F)cc(N2CCOCC2)c1 ZINC001461107258 1067783123 /nfs/dbraw/zinc/78/31/23/1067783123.db2.gz KEYGDTBEFBMGSP-UHFFFAOYSA-N 0 0 454.361 4.650 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001461108625 1067783414 /nfs/dbraw/zinc/78/34/14/1067783414.db2.gz GZBFEKMINJYHKG-RDTXWAMCSA-N 0 0 478.389 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1C(F)(F)F ZINC001461109100 1067783500 /nfs/dbraw/zinc/78/35/00/1067783500.db2.gz QETWXLLFNFOSJV-NSISKUIASA-N 0 0 479.499 4.703 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc(Cl)cc1 ZINC001461110302 1067783770 /nfs/dbraw/zinc/78/37/70/1067783770.db2.gz BVBIBTZBIMFXRE-XLIONFOSSA-N 0 0 455.839 4.948 20 0 JJADRN O=C(NC[C@@H]1CC2CCC1CC2)c1csc(I)c1Br ZINC001461115651 1067784488 /nfs/dbraw/zinc/78/44/88/1067784488.db2.gz OHNYMQQWDIUMGJ-RTBKNWGFSA-N 0 0 454.171 4.671 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC001461119339 1067784846 /nfs/dbraw/zinc/78/48/46/1067784846.db2.gz JPOANVIUKLXENO-UHFFFAOYSA-N 0 0 451.450 4.825 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461122197 1067785192 /nfs/dbraw/zinc/78/51/92/1067785192.db2.gz WZQGYNXBWUOYCI-YTJPUZGESA-N 0 0 451.460 4.782 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)C2)c1 ZINC001461124896 1067785977 /nfs/dbraw/zinc/78/59/77/1067785977.db2.gz CVVWQHRXGDUIJA-MRXNPFEDSA-N 0 0 454.983 4.966 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)CC1(C)C ZINC001461124590 1067786183 /nfs/dbraw/zinc/78/61/83/1067786183.db2.gz KWNKJUIEDWOEBP-LJQANCHMSA-N 0 0 452.374 4.664 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1OC ZINC001461125794 1067786345 /nfs/dbraw/zinc/78/63/45/1067786345.db2.gz RPVCQCPDTLOAQG-PMPSAXMXSA-N 0 0 454.995 4.996 20 0 JJADRN COCC1(CCNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)CC1 ZINC001461125939 1067786381 /nfs/dbraw/zinc/78/63/81/1067786381.db2.gz ORFLLWLSZVRIAE-UHFFFAOYSA-N 0 0 451.823 4.726 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1OC ZINC001461125782 1067786395 /nfs/dbraw/zinc/78/63/95/1067786395.db2.gz RPVCQCPDTLOAQG-BZUAXINKSA-N 0 0 454.995 4.996 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)CSc1ccccc1Br ZINC001461127892 1067786810 /nfs/dbraw/zinc/78/68/10/1067786810.db2.gz VGLFYORCHXPJAH-KFWWJZLASA-N 0 0 457.434 4.786 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)[C@@H]1SC ZINC001461135541 1067787343 /nfs/dbraw/zinc/78/73/43/1067787343.db2.gz JSDWKUAXWLKWCI-LGVFNWMJSA-N 0 0 456.011 4.760 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)[C@@H]1SC ZINC001461137117 1067787747 /nfs/dbraw/zinc/78/77/47/1067787747.db2.gz VOZMXBHCHCAWTC-SWBPKETKSA-N 0 0 458.649 4.566 20 0 JJADRN CO[C@@H](C(=O)NCc1cc(Cl)ccc1Br)c1ccc(Br)s1 ZINC001461146157 1067788597 /nfs/dbraw/zinc/78/85/97/1067788597.db2.gz HWLZUBDCDARTCI-CYBMUJFWSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCc2cc(Cl)ccc2Br)CC3)c1 ZINC001461147898 1067789109 /nfs/dbraw/zinc/78/91/09/1067789109.db2.gz LRNCPJGTJTUMFU-HNNXBMFYSA-N 0 0 459.775 4.548 20 0 JJADRN CC[C@H](C)[C@@H](NCc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148273 1067789617 /nfs/dbraw/zinc/78/96/17/1067789617.db2.gz IGYGCFDSEOQMCZ-IFXJQAMLSA-N 0 0 451.434 4.649 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CC2=O)ccc1F ZINC001461155184 1067790562 /nfs/dbraw/zinc/79/05/62/1067790562.db2.gz FDYVONSYSYDVNX-HXUWFJFHSA-N 0 0 450.485 4.522 20 0 JJADRN CC(C)(C)N1CC[C@@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC001461158461 1067791117 /nfs/dbraw/zinc/79/11/17/1067791117.db2.gz BTLPOTHBRRULCF-JOCHJYFZSA-N 0 0 451.998 4.791 20 0 JJADRN Cc1cc(Br)cc(C)c1CNCc1cn(-c2ccccc2Br)nn1 ZINC001461171193 1067792331 /nfs/dbraw/zinc/79/23/31/1067792331.db2.gz RHOXYXRKELVBKH-UHFFFAOYSA-N 0 0 450.178 4.699 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 ZINC001461179202 1067793452 /nfs/dbraw/zinc/79/34/52/1067793452.db2.gz ODLHACLLEKLVGO-OKILXGFUSA-N 0 0 450.366 4.813 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCc2ccc(F)c(Cl)c21 ZINC001461180262 1067793915 /nfs/dbraw/zinc/79/39/15/1067793915.db2.gz CQCPJNZDMUCTRY-CYBMUJFWSA-N 0 0 451.723 4.574 20 0 JJADRN Cc1cnc(Cl)cc1C(=O)Nc1cccc(Br)c1I ZINC001461184636 1067794911 /nfs/dbraw/zinc/79/49/11/1067794911.db2.gz IIUMURJEUJUEJQ-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC001461184677 1067794963 /nfs/dbraw/zinc/79/49/63/1067794963.db2.gz JGVYTFBDXFKUOY-UHFFFAOYSA-N 0 0 458.514 4.582 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001461187122 1067795325 /nfs/dbraw/zinc/79/53/25/1067795325.db2.gz KEHOMEGBELDKOA-SECBINFHSA-N 0 0 455.740 4.972 20 0 JJADRN COC(=O)Cc1ccccc1CNC(=O)c1sc2cc(Br)ccc2c1Cl ZINC001461187001 1067795418 /nfs/dbraw/zinc/79/54/18/1067795418.db2.gz HTOQPHJZOYLUFK-UHFFFAOYSA-N 0 0 452.757 4.963 20 0 JJADRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001461188228 1067795583 /nfs/dbraw/zinc/79/55/83/1067795583.db2.gz COTDTTZDUUUXAR-PRWKNARSSA-N 0 0 452.363 4.510 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)c(=O)oc2c1 ZINC001461188629 1067795600 /nfs/dbraw/zinc/79/56/00/1067795600.db2.gz BYTRTGKJYBJLSK-TYCQWZJGSA-N 0 0 470.610 4.762 20 0 JJADRN CCOc1c(Br)cc(Br)cc1CNCc1cn2c(cccc2C)n1 ZINC001461191171 1067796326 /nfs/dbraw/zinc/79/63/26/1067796326.db2.gz UJVWPRUXSRWEHL-UHFFFAOYSA-N 0 0 453.178 4.856 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193820 1067796867 /nfs/dbraw/zinc/79/68/67/1067796867.db2.gz QOISFVUGLJFGLE-WKWVNEEDSA-N 0 0 466.663 4.969 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001461194676 1067797063 /nfs/dbraw/zinc/79/70/63/1067797063.db2.gz NEAFETCQEBYGJC-MRXNPFEDSA-N 0 0 451.361 4.756 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 ZINC001461195116 1067797071 /nfs/dbraw/zinc/79/70/71/1067797071.db2.gz OZFBUIDSLWRKES-VWLOTQADSA-N 0 0 459.590 4.791 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)C2)c1 ZINC001461197814 1067797497 /nfs/dbraw/zinc/79/74/97/1067797497.db2.gz TXSMRYCTLXCKTP-YXPKMTABSA-N 0 0 470.654 4.664 20 0 JJADRN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001461198269 1067797950 /nfs/dbraw/zinc/79/79/50/1067797950.db2.gz WADNVASMNIVETF-KRWDZBQOSA-N 0 0 451.375 4.999 20 0 JJADRN COc1cc(CNc2cccc(CS(C)(=O)=O)c2C)cc(OC)c1OCc1ccccc1 ZINC001461204572 1067798931 /nfs/dbraw/zinc/79/89/31/1067798931.db2.gz NTSIGFGSIHFQAG-UHFFFAOYSA-N 0 0 455.576 4.748 20 0 JJADRN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c2c1 ZINC001461206503 1067799287 /nfs/dbraw/zinc/79/92/87/1067799287.db2.gz QLRBRZFOBCUTHK-GOSISDBHSA-N 0 0 451.489 4.914 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001461210109 1067800295 /nfs/dbraw/zinc/80/02/95/1067800295.db2.gz MQGZVKLEOJRYSA-AUUYWEPGSA-N 0 0 450.988 4.766 20 0 JJADRN Cn1c2ccc(NCc3cc(Br)ccc3OCc3ccccc3)cc2n(C)c1=O ZINC001461215978 1067801144 /nfs/dbraw/zinc/80/11/44/1067801144.db2.gz JOIUWUGYOWQDJM-UHFFFAOYSA-N 0 0 452.352 4.831 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001461217456 1067801814 /nfs/dbraw/zinc/80/18/14/1067801814.db2.gz HVKJHISSIZTGJY-SCLBCKFNSA-N 0 0 457.470 4.588 20 0 JJADRN C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C(=O)OCc1ccccc1 ZINC001461221603 1067802581 /nfs/dbraw/zinc/80/25/81/1067802581.db2.gz KZAOCLRESRNZCS-GOSISDBHSA-N 0 0 450.560 4.571 20 0 JJADRN Cc1c(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)nnn1CC1CCCC1 ZINC001461224188 1067803585 /nfs/dbraw/zinc/80/35/85/1067803585.db2.gz KUJRZXSLMQTADC-UHFFFAOYSA-N 0 0 456.805 4.699 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001461229683 1067804858 /nfs/dbraw/zinc/80/48/58/1067804858.db2.gz DWHSWKTXAATZSW-QOKNQOGYSA-N 0 0 450.963 4.881 20 0 JJADRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 ZINC001461237677 1067806959 /nfs/dbraw/zinc/80/69/59/1067806959.db2.gz JEQCBZVUHFHHDP-MRXNPFEDSA-N 0 0 452.473 4.879 20 0 JJADRN CC(C)c1cc(NC(=O)c2csc(I)c2)n(Cc2ccccc2)n1 ZINC001461241874 1067807928 /nfs/dbraw/zinc/80/79/28/1067807928.db2.gz XMJGCUBCYSXMCR-UHFFFAOYSA-N 0 0 451.333 4.973 20 0 JJADRN C[C@H](C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001461246476 1067809053 /nfs/dbraw/zinc/80/90/53/1067809053.db2.gz UDRWGBVNVKJBEW-AWEZNQCLSA-N 0 0 450.423 4.745 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)nc1 ZINC001461248459 1067809250 /nfs/dbraw/zinc/80/92/50/1067809250.db2.gz AYEVZHQEIWENLE-UHFFFAOYSA-N 0 0 456.905 4.756 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)nc1 ZINC001461248499 1067809331 /nfs/dbraw/zinc/80/93/31/1067809331.db2.gz BCRDRQSSUKMVIL-UHFFFAOYSA-N 0 0 450.392 4.633 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCCSC)CCOCC1 ZINC001546122773 1067810229 /nfs/dbraw/zinc/81/02/29/1067810229.db2.gz WXKXJOZFEIDLDO-UHFFFAOYSA-N 0 0 459.660 4.543 20 0 JJADRN CCc1c(C(=O)OCc2ncc(Br)cc2Cl)nnn1-c1cccc(Cl)c1 ZINC001461251823 1067810518 /nfs/dbraw/zinc/81/05/18/1067810518.db2.gz ACMGYNMOOPTPHD-UHFFFAOYSA-N 0 0 456.127 4.651 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)c2ccc(COc3ccc(C)cc3C)o2)C1 ZINC001461263145 1067813601 /nfs/dbraw/zinc/81/36/01/1067813601.db2.gz IEKRLSXMHRNQKJ-IBGZPJMESA-N 0 0 451.494 4.997 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461270725 1067814854 /nfs/dbraw/zinc/81/48/54/1067814854.db2.gz ZYBJVIBRZZRGBW-HNNXBMFYSA-N 0 0 451.324 4.721 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(COC)ccn2)nnc1-c1ccc(Cl)cc1Cl ZINC001461272553 1067815459 /nfs/dbraw/zinc/81/54/59/1067815459.db2.gz FLMQHYDMMKJUCC-UHFFFAOYSA-N 0 0 452.367 4.544 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1)c1ccccc1 ZINC001461272031 1067815766 /nfs/dbraw/zinc/81/57/66/1067815766.db2.gz BCABDXVHPFQVIL-IRXDYDNUSA-N 0 0 450.551 4.670 20 0 JJADRN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001461278255 1067816686 /nfs/dbraw/zinc/81/66/86/1067816686.db2.gz PAUVWQMSOJQPHP-FQEVSTJZSA-N 0 0 450.535 4.806 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001461287131 1067818461 /nfs/dbraw/zinc/81/84/61/1067818461.db2.gz GKYQIFJPHZTLKB-DOTOQJQBSA-N 0 0 455.521 4.823 20 0 JJADRN COc1ccc(SCCC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001461288990 1067818947 /nfs/dbraw/zinc/81/89/47/1067818947.db2.gz WTQFJVMDCXNYJL-UXHICEINSA-N 0 0 457.592 4.873 20 0 JJADRN COc1ccc(SCCC(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001461288992 1067818964 /nfs/dbraw/zinc/81/89/64/1067818964.db2.gz WTQFJVMDCXNYJL-VQTJNVASSA-N 0 0 457.592 4.873 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001461289066 1067819048 /nfs/dbraw/zinc/81/90/48/1067819048.db2.gz XNHFNBFWVKUMQN-FCHUYYIVSA-N 0 0 450.579 4.763 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001461290328 1067819549 /nfs/dbraw/zinc/81/95/49/1067819549.db2.gz PPYCOACDCWIAER-DOTOQJQBSA-N 0 0 451.995 4.964 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNc2cccc(C(=O)NCCC(N)=O)c2)ccc1F ZINC001461291150 1067819886 /nfs/dbraw/zinc/81/98/86/1067819886.db2.gz LAPUNGKTJYMORM-UHFFFAOYSA-N 0 0 455.917 4.797 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2nccc(Br)c2Cl)CC[C@H]1c1ccc(C)o1 ZINC001461295636 1067820633 /nfs/dbraw/zinc/82/06/33/1067820633.db2.gz SQKQLNJUXZABCJ-STQMWFEESA-N 0 0 456.724 4.700 20 0 JJADRN C[C@@H]1CN(c2ccc(NCc3ncc(Br)cc3Br)cc2)C[C@@H](C)O1 ZINC001461295763 1067821112 /nfs/dbraw/zinc/82/11/12/1067821112.db2.gz UOVDFCGTDKCGNA-CHWSQXEVSA-N 0 0 455.194 4.832 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(I)c(Br)c1)CC2 ZINC001461302042 1067822644 /nfs/dbraw/zinc/82/26/44/1067822644.db2.gz RTEQEOGEVBBKCW-INIZCTEOSA-N 0 0 456.121 4.779 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(I)c(Br)c1)CC2 ZINC001461302046 1067822699 /nfs/dbraw/zinc/82/26/99/1067822699.db2.gz RTEQEOGEVBBKCW-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN CC(C)Oc1cc(Cl)c(CNc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Cl ZINC001461305020 1067823654 /nfs/dbraw/zinc/82/36/54/1067823654.db2.gz WDZFFTIISRBCGO-UHFFFAOYSA-N 0 0 452.382 4.663 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1 ZINC001461305611 1067823943 /nfs/dbraw/zinc/82/39/43/1067823943.db2.gz MBHPETDTAIYZBZ-MRXNPFEDSA-N 0 0 456.408 4.932 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNc2cccc(NS(C)(=O)=O)c2)c1 ZINC001461305776 1067823976 /nfs/dbraw/zinc/82/39/76/1067823976.db2.gz PEWMZLOINOFAQI-UHFFFAOYSA-N 0 0 450.539 4.970 20 0 JJADRN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001461307388 1067824371 /nfs/dbraw/zinc/82/43/71/1067824371.db2.gz HYPALWBHHQDPJT-XLIONFOSSA-N 0 0 456.917 4.700 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1cc(I)nn1C)C1CCC(C)CC1 ZINC001461310071 1067825557 /nfs/dbraw/zinc/82/55/57/1067825557.db2.gz WBRARJXQZWCDFA-XBMPDCEQSA-N 0 0 451.352 4.631 20 0 JJADRN COc1ccccc1[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccco1 ZINC001461317194 1067826953 /nfs/dbraw/zinc/82/69/53/1067826953.db2.gz RFRIWKBFYIFPCU-VWLOTQADSA-N 0 0 456.970 4.532 20 0 JJADRN CCCN(CCC)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC001461319118 1067827139 /nfs/dbraw/zinc/82/71/39/1067827139.db2.gz YVXNUHUIAWQTMN-NRFANRHFSA-N 0 0 457.640 4.661 20 0 JJADRN Cc1noc(COc2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)n1 ZINC001461319522 1067827214 /nfs/dbraw/zinc/82/72/14/1067827214.db2.gz GKZNEDOPMKCTDD-UHFFFAOYSA-N 0 0 450.539 4.862 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001461319063 1067827301 /nfs/dbraw/zinc/82/73/01/1067827301.db2.gz REAPICZCJKNLMB-UHFFFAOYSA-N 0 0 454.351 4.963 20 0 JJADRN CCCN(CCC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC001461319119 1067827343 /nfs/dbraw/zinc/82/73/43/1067827343.db2.gz YVXNUHUIAWQTMN-OAQYLSRUSA-N 0 0 457.640 4.661 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CNc1ccccc1OCCn1ccnc1 ZINC001461323833 1067828000 /nfs/dbraw/zinc/82/80/00/1067828000.db2.gz HVSQBYDYWOLBTR-UHFFFAOYSA-N 0 0 452.356 4.831 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1c(F)ccc(Br)c1F)c1ccccc1 ZINC001461324291 1067828182 /nfs/dbraw/zinc/82/81/82/1067828182.db2.gz CSPDVSUASGIWRR-OAQYLSRUSA-N 0 0 454.311 4.757 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2ccccc2F)c1 ZINC001461325431 1067828376 /nfs/dbraw/zinc/82/83/76/1067828376.db2.gz USCCDFKQCDWCSW-NRFANRHFSA-N 0 0 457.523 4.873 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC001461324756 1067828465 /nfs/dbraw/zinc/82/84/65/1067828465.db2.gz FYDJRFXLNWWUGA-RUZDIDTESA-N 0 0 454.567 4.908 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461327290 1067829511 /nfs/dbraw/zinc/82/95/11/1067829511.db2.gz DOXPAMRXCGFVFP-PLMTUMEDSA-N 0 0 457.619 4.866 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461327288 1067829666 /nfs/dbraw/zinc/82/96/66/1067829666.db2.gz DOXPAMRXCGFVFP-MDKPJZGXSA-N 0 0 457.619 4.866 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCC1(c2ccccc2F)CCC1 ZINC001461327703 1067829945 /nfs/dbraw/zinc/82/99/45/1067829945.db2.gz IXIBYIBCAOTBSQ-IBGZPJMESA-N 0 0 458.599 4.549 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)c12 ZINC001461327433 1067830036 /nfs/dbraw/zinc/83/00/36/1067830036.db2.gz FVFAIGXJKVNHHH-UZLBHIALSA-N 0 0 458.603 4.893 20 0 JJADRN O=C(NCc1cccc(Oc2ccccc2F)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001461328519 1067830055 /nfs/dbraw/zinc/83/00/55/1067830055.db2.gz LWTHCWPHOROUEA-FQEVSTJZSA-N 0 0 450.485 4.926 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cn2)c(F)c1 ZINC001461331787 1067830982 /nfs/dbraw/zinc/83/09/82/1067830982.db2.gz KGXHVSPKKYIZOV-UHFFFAOYSA-N 0 0 451.498 4.968 20 0 JJADRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001461333562 1067830992 /nfs/dbraw/zinc/83/09/92/1067830992.db2.gz PHNIMQLXKNIYCT-UHFFFAOYSA-N 0 0 451.489 4.924 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCCOc2ccccc2Cl)c(F)c1 ZINC001461335446 1067831435 /nfs/dbraw/zinc/83/14/35/1067831435.db2.gz PQHKDTLIKCPEHQ-UHFFFAOYSA-N 0 0 450.938 4.979 20 0 JJADRN Cc1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc1I ZINC001461335604 1067831512 /nfs/dbraw/zinc/83/15/12/1067831512.db2.gz JDWPDRAIARRXMW-UHFFFAOYSA-N 0 0 457.352 4.764 20 0 JJADRN Cn1nc(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)c2ccccc2c1=O ZINC001461337210 1067832393 /nfs/dbraw/zinc/83/23/93/1067832393.db2.gz VRIVIKICFAIBKK-UHFFFAOYSA-N 0 0 450.292 4.741 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461337016 1067832498 /nfs/dbraw/zinc/83/24/98/1067832498.db2.gz YKQYPANAJGUKCZ-YLJYHZDGSA-N 0 0 459.562 4.955 20 0 JJADRN CCCCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@@H]1CCc2ncsc2C1 ZINC001461338927 1067832749 /nfs/dbraw/zinc/83/27/49/1067832749.db2.gz MSHHOMCFIBJWJQ-REBWPMHBSA-N 0 0 451.636 4.581 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001461342243 1067834452 /nfs/dbraw/zinc/83/44/52/1067834452.db2.gz LFKUICQJLILKET-DEOSSOPVSA-N 0 0 458.558 4.887 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C)c1ccc(I)cc1 ZINC001461343297 1067834464 /nfs/dbraw/zinc/83/44/64/1067834464.db2.gz NQTXKLPXGCYUEG-YOEHRIQHSA-N 0 0 457.352 4.508 20 0 JJADRN O=C(Nc1ccc(F)cc1)c1ccc(CNCc2cn3ccc(Br)cc3n2)cc1 ZINC001461345067 1067834700 /nfs/dbraw/zinc/83/47/00/1067834700.db2.gz LZXNZHNEHFSUMJ-UHFFFAOYSA-N 0 0 453.315 4.778 20 0 JJADRN O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2cccc(F)c2OC(F)F)cc1 ZINC001461345962 1067834801 /nfs/dbraw/zinc/83/48/01/1067834801.db2.gz TVLVLUJOOMDYPY-UHFFFAOYSA-N 0 0 454.445 4.657 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3csc(-c4ccccc4)n3)c2)C1 ZINC001461345764 1067834874 /nfs/dbraw/zinc/83/48/74/1067834874.db2.gz UHRNCXGWWYQJIT-IAGOWNOFSA-N 0 0 455.605 4.729 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCCc2nc(Br)ccc21 ZINC001461345519 1067834919 /nfs/dbraw/zinc/83/49/19/1067834919.db2.gz OMSPLOIYVAQJFS-UHFFFAOYSA-N 0 0 455.356 4.658 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)n1 ZINC001461348102 1067835352 /nfs/dbraw/zinc/83/53/52/1067835352.db2.gz LZYIKRQOJSQXBX-UHFFFAOYSA-N 0 0 451.354 4.698 20 0 JJADRN CCCCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@@H]1CCc2ncsc2C1 ZINC001461348760 1067835948 /nfs/dbraw/zinc/83/59/48/1067835948.db2.gz RECOPXIDPAVPHI-MRXNPFEDSA-N 0 0 459.413 4.891 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC2(CC1)C(F)(F)C2(F)F)C1CCCCCC1 ZINC001461352154 1067836289 /nfs/dbraw/zinc/83/62/89/1067836289.db2.gz ILHBUVOPDQBQIM-INIZCTEOSA-N 0 0 450.517 4.991 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Oc1ccc(NC(=O)OC(C)C)cc1Cl ZINC001461350603 1067836343 /nfs/dbraw/zinc/83/63/43/1067836343.db2.gz IODFFUXYSCRULJ-UHFFFAOYSA-N 0 0 457.708 4.991 20 0 JJADRN COc1c(Br)cc(CNc2ccc(-c3n[nH]c(C)n3)cc2)cc1Br ZINC001461352666 1067836915 /nfs/dbraw/zinc/83/69/15/1067836915.db2.gz MFEIEZVOZOJQQE-UHFFFAOYSA-N 0 0 452.150 4.926 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)c(Cl)c1 ZINC001461358971 1067838194 /nfs/dbraw/zinc/83/81/94/1067838194.db2.gz NSVFMQYRMPNZGQ-IBGZPJMESA-N 0 0 457.918 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC001461363577 1067838845 /nfs/dbraw/zinc/83/88/45/1067838845.db2.gz ZIZNIACGEOATPE-CJFMBICVSA-N 0 0 455.530 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(Br)cc2F)C12CCCC2 ZINC001461364280 1067839015 /nfs/dbraw/zinc/83/90/15/1067839015.db2.gz NKSLOWKCBNTQPC-MRXNPFEDSA-N 0 0 459.331 4.779 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(COC)CC2)CCCC1 ZINC001546123793 1067839286 /nfs/dbraw/zinc/83/92/86/1067839286.db2.gz AQKVUHDFQYHJNW-UHFFFAOYSA-N 0 0 474.049 4.695 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)ccc1Br ZINC001461366238 1067839747 /nfs/dbraw/zinc/83/97/47/1067839747.db2.gz WRTJJKJAFLEXFH-QGZVFWFLSA-N 0 0 453.377 4.510 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)s2)cc1 ZINC001461367495 1067839883 /nfs/dbraw/zinc/83/98/83/1067839883.db2.gz CGKQFJNMTAGHRY-BVZFJXPGSA-N 0 0 471.623 4.894 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N1CCCC[C@H]1Cc1ccccc1F ZINC001461375212 1067841092 /nfs/dbraw/zinc/84/10/92/1067841092.db2.gz DRLYCZLYQKSNIW-ZDUSSCGKSA-N 0 0 456.153 4.983 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)/C=C\c2ccc(I)o2)cc1 ZINC001461376819 1067841528 /nfs/dbraw/zinc/84/15/28/1067841528.db2.gz QDERVUQDLDKRQJ-DMIOIOJGSA-N 0 0 451.304 4.530 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cccnc1OCc1ccccc1F)C2 ZINC001461377199 1067841581 /nfs/dbraw/zinc/84/15/81/1067841581.db2.gz AEASYLAPTRWICR-SIBVEZHUSA-N 0 0 469.557 4.567 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001461382110 1067843159 /nfs/dbraw/zinc/84/31/59/1067843159.db2.gz UGYCNUYROBNWHK-HXUWFJFHSA-N 0 0 454.368 4.881 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1csc(Cc3ccc(F)cc3)n1)C2 ZINC001461382071 1067843401 /nfs/dbraw/zinc/84/34/01/1067843401.db2.gz UAULLFYCNHVGTB-XDHUDOTRSA-N 0 0 459.587 4.640 20 0 JJADRN CCOCCOc1ccc(Br)cc1NCc1cc2c(C)nn(C)c2nc1Cl ZINC001461384322 1067843942 /nfs/dbraw/zinc/84/39/42/1067843942.db2.gz CGZUOHDTONNQLW-UHFFFAOYSA-N 0 0 453.768 4.720 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CC)OC[C@H]2CC)c1 ZINC001461384574 1067843950 /nfs/dbraw/zinc/84/39/50/1067843950.db2.gz ZFBHLJSPDSBUGY-FYYLOGMGSA-N 0 0 458.624 4.712 20 0 JJADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461385721 1067844285 /nfs/dbraw/zinc/84/42/85/1067844285.db2.gz MCMGTYOYEYAABH-DCLXLUIPSA-N 0 0 458.624 4.598 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(COC)c(C(F)(F)F)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461388659 1067845008 /nfs/dbraw/zinc/84/50/08/1067845008.db2.gz FGNVUYLESYJJON-QGZVFWFLSA-N 0 0 453.852 4.749 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC001461397312 1067845887 /nfs/dbraw/zinc/84/58/87/1067845887.db2.gz MEXFUZVQDPQBRN-GOSISDBHSA-N 0 0 453.564 4.818 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc2c1O[C@H](C)C2 ZINC001461396547 1067845937 /nfs/dbraw/zinc/84/59/37/1067845937.db2.gz HHXSDYGFQWNHDX-UZLBHIALSA-N 0 0 452.551 4.505 20 0 JJADRN O=C(N[C@@H]1CCc2ccccc21)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001461404178 1067847666 /nfs/dbraw/zinc/84/76/66/1067847666.db2.gz BYQSQSSUOGJHJZ-OAHLLOKOSA-N 0 0 456.802 4.992 20 0 JJADRN CCCO[C@H](C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1C ZINC001461410129 1067848626 /nfs/dbraw/zinc/84/86/26/1067848626.db2.gz KAKSJCRQTQPTMG-RTWAWAEBSA-N 0 0 450.348 4.964 20 0 JJADRN CC(=O)N[C@@H](C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)c1cccc(Br)c1 ZINC001461409940 1067849145 /nfs/dbraw/zinc/84/91/45/1067849145.db2.gz JVNCDFSXTIAHOM-GOSISDBHSA-N 0 0 456.167 4.518 20 0 JJADRN C[C@H](C(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001461412064 1067849589 /nfs/dbraw/zinc/84/95/89/1067849589.db2.gz PINGZHIHFNPFKX-UGSOOPFHSA-N 0 0 453.174 4.915 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001461417840 1067851334 /nfs/dbraw/zinc/85/13/34/1067851334.db2.gz WAELZHVXOZDUKD-AVRDEDQJSA-N 0 0 450.432 4.774 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001461418353 1067851561 /nfs/dbraw/zinc/85/15/61/1067851561.db2.gz JWVCCZWVUFOVNL-UGSOOPFHSA-N 0 0 452.473 4.736 20 0 JJADRN O=C(Nc1ccc(I)cc1F)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001461421874 1067852657 /nfs/dbraw/zinc/85/26/57/1067852657.db2.gz UBYYCCZYZYVCSK-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)[C@@H]3C)cc2)n1 ZINC001461432371 1067855057 /nfs/dbraw/zinc/85/50/57/1067855057.db2.gz RBRRVDZGDOPDJC-HTAPYJJXSA-N 0 0 454.368 4.854 20 0 JJADRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461434869 1067855512 /nfs/dbraw/zinc/85/55/12/1067855512.db2.gz YZJOWOUEBZVVKS-PKOBYXMFSA-N 0 0 453.423 4.661 20 0 JJADRN Fc1ccc(Cn2cc(CNCc3cc(Br)ccc3Br)cn2)cc1 ZINC001461437893 1067856718 /nfs/dbraw/zinc/85/67/18/1067856718.db2.gz JJKNDTBXTZEGKZ-UHFFFAOYSA-N 0 0 453.153 4.885 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N(C)c4ccc(F)cc4Cl)cnc32)c(OC)c1 ZINC001461441392 1067857256 /nfs/dbraw/zinc/85/72/56/1067857256.db2.gz ZLQNQZQZTNLWIC-UHFFFAOYSA-N 0 0 454.889 4.566 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001461443450 1067857793 /nfs/dbraw/zinc/85/77/93/1067857793.db2.gz JXHWLLSOTBYMEK-UNMCSNQZSA-N 0 0 457.477 4.824 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461444913 1067858195 /nfs/dbraw/zinc/85/81/95/1067858195.db2.gz MQFGIDCEXBWMHE-LULLPPNCSA-N 0 0 474.470 4.574 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccccc1OCc1csc(C)n1)CCC2 ZINC001461444143 1067858202 /nfs/dbraw/zinc/85/82/02/1067858202.db2.gz PWVLWCIYBHELSB-LJQANCHMSA-N 0 0 450.560 4.667 20 0 JJADRN COc1cccc(/C=C\c2cc(C(=O)NC[C@@H](C)OC)c3cc(Br)ccc3n2)c1 ZINC001461446590 1067858529 /nfs/dbraw/zinc/85/85/29/1067858529.db2.gz XNKDVKQTAGUUQA-SOIVGHGOSA-N 0 0 455.352 4.941 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)nc1 ZINC001461449010 1067859414 /nfs/dbraw/zinc/85/94/14/1067859414.db2.gz CFEVFGVMUIFRQL-UHFFFAOYSA-N 0 0 453.539 4.977 20 0 JJADRN O=C(c1sc2ncccc2c1Cl)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461451191 1067859873 /nfs/dbraw/zinc/85/98/73/1067859873.db2.gz YUTHPWLATOZKMO-JSGCOSHPSA-N 0 0 459.921 4.745 20 0 JJADRN Cc1c(Br)cncc1CNCc1ccc(Cl)cc1I ZINC001461460586 1067862272 /nfs/dbraw/zinc/86/22/72/1067862272.db2.gz HKXVCLFDIMQBCJ-UHFFFAOYSA-N 0 0 451.533 4.700 20 0 JJADRN O=C1[C@H](NCc2ccc(Br)cc2Cl)CCN1c1cccc(Br)c1 ZINC001461464343 1067863272 /nfs/dbraw/zinc/86/32/72/1067863272.db2.gz PXQAIAZMMWOEHE-MRXNPFEDSA-N 0 0 458.581 4.760 20 0 JJADRN O=C1[C@@H](NCc2ccc(Br)cc2Cl)CCN1c1cccc(Br)c1 ZINC001461464338 1067863311 /nfs/dbraw/zinc/86/33/11/1067863311.db2.gz PXQAIAZMMWOEHE-INIZCTEOSA-N 0 0 458.581 4.760 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461467228 1067864124 /nfs/dbraw/zinc/86/41/24/1067864124.db2.gz YUSSJKFTALMYSM-SFHVURJKSA-N 0 0 456.587 4.852 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461467610 1067864501 /nfs/dbraw/zinc/86/45/01/1067864501.db2.gz LDBDGGCQBZCJSX-UYAOXDASSA-N 0 0 478.511 4.836 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)nn1C ZINC001461468281 1067864939 /nfs/dbraw/zinc/86/49/39/1067864939.db2.gz DEBRZQMURURVDI-ZDUSSCGKSA-N 0 0 454.493 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nc(Cl)ccc2F)C1 ZINC001461468742 1067864961 /nfs/dbraw/zinc/86/49/61/1067864961.db2.gz CIASKOZQLKFBMX-NVXWUHKLSA-N 0 0 451.901 4.536 20 0 JJADRN C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461470579 1067865806 /nfs/dbraw/zinc/86/58/06/1067865806.db2.gz LQGMBWHUMAKZHE-CDNPAEQRSA-N 0 0 456.558 4.640 20 0 JJADRN CCOC(=O)[C@@](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)(C1CCC1)C(F)(F)F ZINC001461471385 1067866164 /nfs/dbraw/zinc/86/61/64/1067866164.db2.gz HECXWBOIDDVEDJ-NRFANRHFSA-N 0 0 454.514 4.750 20 0 JJADRN CC1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC(C)(C)C1 ZINC001461473316 1067866762 /nfs/dbraw/zinc/86/67/62/1067866762.db2.gz SLOODNGNOIHNEX-UHFFFAOYSA-N 0 0 459.027 4.555 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)(C1CCC1)C(F)(F)F ZINC001461473862 1067867360 /nfs/dbraw/zinc/86/73/60/1067867360.db2.gz MITMUZMGTSKLDU-SFHVURJKSA-N 0 0 450.379 4.591 20 0 JJADRN CCCc1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)s1 ZINC001461475256 1067868105 /nfs/dbraw/zinc/86/81/05/1067868105.db2.gz YOQMDIPTFJKPSP-WMZOPIPTSA-N 0 0 477.602 4.766 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)ccn2)C1 ZINC001461475393 1067868116 /nfs/dbraw/zinc/86/81/16/1067868116.db2.gz INHQVDODJSGDMJ-TUACAJSNSA-N 0 0 478.637 4.841 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)N2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC001461476629 1067868452 /nfs/dbraw/zinc/86/84/52/1067868452.db2.gz UVTBKHJJTNRENS-HSZRJFAPSA-N 0 0 459.432 4.840 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@](C(=O)OCC)(C2CCC2)C(F)(F)F)cc1OC ZINC001461478284 1067869264 /nfs/dbraw/zinc/86/92/64/1067869264.db2.gz UPWZBKLTHZMPNV-IBGZPJMESA-N 0 0 451.869 4.532 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)(C1CCC1)C(F)(F)F ZINC001461478476 1067869715 /nfs/dbraw/zinc/86/97/15/1067869715.db2.gz URORNTAWQWCHPT-QFIPXVFZSA-N 0 0 453.457 4.870 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](C(=O)OC)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001461480329 1067870509 /nfs/dbraw/zinc/87/05/09/1067870509.db2.gz BFKTVQRPFCDABC-RHSMWYFYSA-N 0 0 458.274 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001461481508 1067870949 /nfs/dbraw/zinc/87/09/49/1067870949.db2.gz YJWZKQDKIAMLIV-IFMALSPDSA-N 0 0 456.562 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001461481727 1067871287 /nfs/dbraw/zinc/87/12/87/1067871287.db2.gz ZFTAQUUBNSIWMY-DNQXCXABSA-N 0 0 468.569 4.603 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC001461486909 1067872551 /nfs/dbraw/zinc/87/25/51/1067872551.db2.gz ZEZQCAQBABEOIG-UHFFFAOYSA-N 0 0 459.015 4.929 20 0 JJADRN O=S(=O)(Cc1ccccc1)Nc1ccc(NCc2csc(-c3ccc(F)cc3)n2)nc1 ZINC001461487926 1067873034 /nfs/dbraw/zinc/87/30/34/1067873034.db2.gz ZUSUHNFLDBGFJE-UHFFFAOYSA-N 0 0 454.552 4.898 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)c1ccccc1Br ZINC001461487688 1067873048 /nfs/dbraw/zinc/87/30/48/1067873048.db2.gz VXAONRHGLMDFBS-GOSISDBHSA-N 0 0 452.757 4.890 20 0 JJADRN COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(Cl)c(OC(C)C)cc1Cl ZINC001461492865 1067875183 /nfs/dbraw/zinc/87/51/83/1067875183.db2.gz HAEHSROLHXBTLN-UHFFFAOYSA-N 0 0 459.395 4.842 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1ccc(OCC(F)F)cc1 ZINC001461493951 1067875438 /nfs/dbraw/zinc/87/54/38/1067875438.db2.gz JEQHYFSDFLROLG-UHFFFAOYSA-N 0 0 454.539 4.516 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001461494797 1067875475 /nfs/dbraw/zinc/87/54/75/1067875475.db2.gz NNTCNOKWFHJINJ-GOSISDBHSA-N 0 0 452.576 4.846 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001461496546 1067876372 /nfs/dbraw/zinc/87/63/72/1067876372.db2.gz VRCTZNHDTLWIHC-JXMROGBWSA-N 0 0 452.576 4.650 20 0 JJADRN Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)nc1C(C)C ZINC001461499842 1067876692 /nfs/dbraw/zinc/87/66/92/1067876692.db2.gz KPDIIFRTJSLSDK-UHFFFAOYSA-N 0 0 455.605 4.969 20 0 JJADRN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC001461505388 1067878189 /nfs/dbraw/zinc/87/81/89/1067878189.db2.gz ONPJNFMLLVHNNO-UHFFFAOYSA-N 0 0 452.427 4.866 20 0 JJADRN CC(C)(C)OC(=O)c1ncccc1NC(=O)c1ccc(I)c(Cl)c1 ZINC001461503887 1067878276 /nfs/dbraw/zinc/87/82/76/1067878276.db2.gz HJTGAJOMDVOHFE-UHFFFAOYSA-N 0 0 458.683 4.547 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC001461508940 1067878607 /nfs/dbraw/zinc/87/86/07/1067878607.db2.gz ITVOOCUATWPMBZ-UHFFFAOYSA-N 0 0 458.537 4.718 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Nc3cccnc3C(=O)OC(C)(C)C)ccc21 ZINC001461507074 1067878648 /nfs/dbraw/zinc/87/86/48/1067878648.db2.gz YNPNDOMTUSTHJI-UHFFFAOYSA-N 0 0 458.518 4.696 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001461511731 1067879517 /nfs/dbraw/zinc/87/95/17/1067879517.db2.gz AWRMHKLGJIISKF-GOSISDBHSA-N 0 0 454.949 4.628 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)c3ccn(CCc4ccccc4)n3)nc21 ZINC001461519881 1067880498 /nfs/dbraw/zinc/88/04/98/1067880498.db2.gz OONTTWKGBIPALQ-UHFFFAOYSA-N 0 0 457.353 4.759 20 0 JJADRN O=C(N1CCCC2(CCCC2)CC1)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC001461520394 1067880641 /nfs/dbraw/zinc/88/06/41/1067880641.db2.gz IVZRAJVRGCBACH-UHFFFAOYSA-N 0 0 453.048 4.894 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC001461523656 1067881117 /nfs/dbraw/zinc/88/11/17/1067881117.db2.gz QWTWBFLKFVPHRO-UHFFFAOYSA-N 0 0 459.340 4.710 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCc3cnc(C(F)(F)F)nc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001461527439 1067881653 /nfs/dbraw/zinc/88/16/53/1067881653.db2.gz JPFAWPCTGBWNDK-UHFFFAOYSA-N 0 0 458.444 4.628 20 0 JJADRN COc1cccc(C(=O)NCc2cc(Cl)ccc2I)c1OC(C)C ZINC001461529370 1067881898 /nfs/dbraw/zinc/88/18/98/1067881898.db2.gz QHUOKAHORWCLKV-UHFFFAOYSA-N 0 0 459.711 4.670 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461532257 1067882923 /nfs/dbraw/zinc/88/29/23/1067882923.db2.gz XXVMIVDNOKFJIV-LJQANCHMSA-N 0 0 455.396 4.887 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CO1 ZINC001461542064 1067884834 /nfs/dbraw/zinc/88/48/34/1067884834.db2.gz KFHIOTLBBSNLRE-GMAHTHKFSA-N 0 0 454.998 4.789 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2c(Br)ncc3ccccc32)cc1 ZINC001461546047 1067885770 /nfs/dbraw/zinc/88/57/70/1067885770.db2.gz BHJOLKPJQWREQO-UHFFFAOYSA-N 0 0 454.353 4.617 20 0 JJADRN Cc1c(NCc2cc(C(F)(F)F)ccc2Br)cccc1N1C(=O)N[C@@H](C)C1=O ZINC001461551082 1067886577 /nfs/dbraw/zinc/88/65/77/1067886577.db2.gz LYHSLTTZSUQLKT-NSHDSACASA-N 0 0 456.262 4.833 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC001461557014 1067887524 /nfs/dbraw/zinc/88/75/24/1067887524.db2.gz DOFOKSKPQXGKAJ-UHFFFAOYSA-N 0 0 457.017 4.753 20 0 JJADRN Cc1cc(NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)ccc1C(=O)NC(C)C ZINC001461563089 1067888858 /nfs/dbraw/zinc/88/88/58/1067888858.db2.gz AYGAWDWCPZELIZ-LJQANCHMSA-N 0 0 455.599 4.896 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)(C1CC1)C(F)(F)F ZINC001461563503 1067889219 /nfs/dbraw/zinc/88/92/19/1067889219.db2.gz IJOJLXNQXBBTQO-QGZVFWFLSA-N 0 0 451.228 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3ccc(OC(C)(C)C)cn3)cc2)C1 ZINC001461568411 1067890719 /nfs/dbraw/zinc/89/07/19/1067890719.db2.gz KTDYEKGSMVFFQN-NRFANRHFSA-N 0 0 455.555 4.820 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cnc1C(F)(F)F ZINC001461570221 1067890895 /nfs/dbraw/zinc/89/08/95/1067890895.db2.gz GCAWQSSPGDJZPP-UHFFFAOYSA-N 0 0 456.346 4.534 20 0 JJADRN Cc1cc(CCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)ccc1Br ZINC001461575724 1067891821 /nfs/dbraw/zinc/89/18/21/1067891821.db2.gz MGZGHCAVMOQWTP-GOSISDBHSA-N 0 0 451.405 4.738 20 0 JJADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001546125437 1067892091 /nfs/dbraw/zinc/89/20/91/1067892091.db2.gz DWMKTYKNNSTKME-YLJYHZDGSA-N 0 0 482.547 4.789 20 0 JJADRN CCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)c1cccnc1 ZINC001461580135 1067892471 /nfs/dbraw/zinc/89/24/71/1067892471.db2.gz JLJQSUWDZQDOPW-KRWDZBQOSA-N 0 0 450.004 4.603 20 0 JJADRN O=C1C[C@H](Oc2cccc(NCc3ccc(OCc4ccccc4)c(Br)c3)c2)N1 ZINC001461577244 1067892537 /nfs/dbraw/zinc/89/25/37/1067892537.db2.gz BYGHXXGCBOBXRA-QHCPKHFHSA-N 0 0 453.336 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COC(c2ccccc2)c2ccccc2)C12CCC2 ZINC001461580618 1067893410 /nfs/dbraw/zinc/89/34/10/1067893410.db2.gz WBYHRNDYSRKUOY-JOCHJYFZSA-N 0 0 450.579 4.841 20 0 JJADRN COc1ccc(Br)cc1C1(NCc2ccccc2I)CC1 ZINC001461590599 1067895487 /nfs/dbraw/zinc/89/54/87/1067895487.db2.gz WYQLJQFZRCQVRR-UHFFFAOYSA-N 0 0 458.137 4.841 20 0 JJADRN COc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cc1-c1ccccn1 ZINC001461596102 1067897049 /nfs/dbraw/zinc/89/70/49/1067897049.db2.gz NYVLDQUYARDYJG-OAQYLSRUSA-N 0 0 453.336 4.733 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)C2)c1 ZINC001461597941 1067898270 /nfs/dbraw/zinc/89/82/70/1067898270.db2.gz BOJSVQWUVAZAQY-XRKRLSELSA-N 0 0 458.602 4.722 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001461599436 1067898762 /nfs/dbraw/zinc/89/87/62/1067898762.db2.gz UJGZPJUNRJMKSD-BAGYTPMASA-N 0 0 456.970 4.724 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001461600573 1067899064 /nfs/dbraw/zinc/89/90/64/1067899064.db2.gz XXTCXQYYJQMSOL-QFIPXVFZSA-N 0 0 458.986 4.627 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001461603020 1067899350 /nfs/dbraw/zinc/89/93/50/1067899350.db2.gz APLJFPMUKXYQNU-LJQANCHMSA-N 0 0 455.954 4.809 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)C12CCC2 ZINC001461603185 1067899979 /nfs/dbraw/zinc/89/99/79/1067899979.db2.gz UOJCCKWRBZBKSK-WQYMJFKSSA-N 0 0 459.030 4.977 20 0 JJADRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C12CCC2 ZINC001461606785 1067900409 /nfs/dbraw/zinc/90/04/09/1067900409.db2.gz WWKBGXDTXNRUDE-CABCVRRESA-N 0 0 456.896 4.796 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001461608195 1067900787 /nfs/dbraw/zinc/90/07/87/1067900787.db2.gz MQCPYLXFRLDHHS-GGAORHGYSA-N 0 0 450.485 4.625 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCCCC1 ZINC001461609948 1067901202 /nfs/dbraw/zinc/90/12/02/1067901202.db2.gz HIQFQLIXOSPPDK-UHFFFAOYSA-N 0 0 457.379 4.658 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)nc2)c1 ZINC001461610387 1067901284 /nfs/dbraw/zinc/90/12/84/1067901284.db2.gz GYBDRDUGXMQDSU-UHFFFAOYSA-N 0 0 453.502 4.662 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](OC)C2)CCOCC1 ZINC001546125716 1067901868 /nfs/dbraw/zinc/90/18/68/1067901868.db2.gz JUDFKRORPYHOBK-FCHUYYIVSA-N 0 0 456.631 4.857 20 0 JJADRN CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nc2cc(Br)ccc2s1 ZINC001461616087 1067902239 /nfs/dbraw/zinc/90/22/39/1067902239.db2.gz GZRHAEXOZWLVTO-UHFFFAOYSA-N 0 0 457.353 4.693 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 ZINC001546125741 1067902573 /nfs/dbraw/zinc/90/25/73/1067902573.db2.gz KEHSNUBVKWTEAD-ZWKOTPCHSA-N 0 0 460.022 4.744 20 0 JJADRN O=C(CCNC(=O)C1CCCCC1)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001461629842 1067905678 /nfs/dbraw/zinc/90/56/78/1067905678.db2.gz QVQWQXXQWMYACN-UHFFFAOYSA-N 0 0 455.246 4.512 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1 ZINC001461634042 1067906514 /nfs/dbraw/zinc/90/65/14/1067906514.db2.gz NSFUVEUYDBDYPI-UHFFFAOYSA-N 0 0 451.567 4.899 20 0 JJADRN C[C@@H](NCc1ncc(I)s1)c1cc(F)c(Br)cc1F ZINC001461639872 1067907684 /nfs/dbraw/zinc/90/76/84/1067907684.db2.gz BBZXXOSOLPFPEP-ZCFIWIBFSA-N 0 0 459.097 4.639 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cnc1OC ZINC001461640035 1067907711 /nfs/dbraw/zinc/90/77/11/1067907711.db2.gz DPBQLMPQKCEPDJ-XMSQKQJNSA-N 0 0 451.548 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNC[C@H](O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC001461647510 1067908853 /nfs/dbraw/zinc/90/88/53/1067908853.db2.gz IUEKQRKOJPCDMY-INIZCTEOSA-N 0 0 458.411 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461649499 1067909429 /nfs/dbraw/zinc/90/94/29/1067909429.db2.gz OYVMPUYFUVBZCM-PMVMPFDFSA-N 0 0 458.719 4.706 20 0 JJADRN FC(F)(CNCc1ccc(I)s1)c1ccc(Br)cc1 ZINC001461649828 1067909493 /nfs/dbraw/zinc/90/94/93/1067909493.db2.gz XFNZFIPCFOFVEV-UHFFFAOYSA-N 0 0 458.109 4.997 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461650825 1067909727 /nfs/dbraw/zinc/90/97/27/1067909727.db2.gz GRAQSJMYLFAAIQ-XLIONFOSSA-N 0 0 479.625 4.584 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461651926 1067910183 /nfs/dbraw/zinc/91/01/83/1067910183.db2.gz LOEPEORRNMIJMX-XLIONFOSSA-N 0 0 461.603 4.728 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2cccnc2Oc2cccc(Br)c2)cn1 ZINC001461651431 1067910191 /nfs/dbraw/zinc/91/01/91/1067910191.db2.gz WVIZNOGWFPKHTR-UZLBHIALSA-N 0 0 455.356 4.511 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461653642 1067910862 /nfs/dbraw/zinc/91/08/62/1067910862.db2.gz VVCQLBQZUGAGPB-ZBFHGGJFSA-N 0 0 464.404 4.625 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461654162 1067911001 /nfs/dbraw/zinc/91/10/01/1067911001.db2.gz ZURRDWMIKKPSQN-NVXWUHKLSA-N 0 0 468.520 4.899 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001461656607 1067911301 /nfs/dbraw/zinc/91/13/01/1067911301.db2.gz HPAZMPYCMPYBDL-RBUKOAKNSA-N 0 0 466.022 4.520 20 0 JJADRN Cn1cc(CNc2ccc(F)c(Br)c2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001461657584 1067911671 /nfs/dbraw/zinc/91/16/71/1067911671.db2.gz RYZLAIVFFASUDI-UHFFFAOYSA-N 0 0 450.283 4.901 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CCN1C(=O)OC(C)(C)C ZINC001461659873 1067912132 /nfs/dbraw/zinc/91/21/32/1067912132.db2.gz QEJUHGNFIGRUIY-LEWJYISDSA-N 0 0 461.006 4.589 20 0 JJADRN COc1ccnc(CNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1F ZINC001461658710 1067912181 /nfs/dbraw/zinc/91/21/81/1067912181.db2.gz VERMDYGNWUJWLN-UHFFFAOYSA-N 0 0 451.882 4.574 20 0 JJADRN O=C(NCCc1cccc2c1OC(F)(F)O2)C1(c2cccc(Br)c2)CCCC1 ZINC001461663094 1067912979 /nfs/dbraw/zinc/91/29/79/1067912979.db2.gz AYCNGHXCBAJDSS-UHFFFAOYSA-N 0 0 452.295 4.941 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@H](n1cccn1)C(F)(F)F ZINC001461663908 1067913519 /nfs/dbraw/zinc/91/35/19/1067913519.db2.gz ZAEBRAIXPUCCIA-HNNXBMFYSA-N 0 0 451.802 4.943 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCc2cc(Br)ccc2C1 ZINC001461673864 1067915408 /nfs/dbraw/zinc/91/54/08/1067915408.db2.gz WLILSCDVXKZMIZ-LJQANCHMSA-N 0 0 457.151 4.586 20 0 JJADRN CCCOc1ccc(NCc2cc(I)c(OC)c(OC)c2)cc1OC ZINC001461674837 1067915559 /nfs/dbraw/zinc/91/55/59/1067915559.db2.gz CKOUJWKQOFRRQQ-UHFFFAOYSA-N 0 0 457.308 4.718 20 0 JJADRN Cc1c(=O)n(C)c2ccccc2c1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001461678775 1067916532 /nfs/dbraw/zinc/91/65/32/1067916532.db2.gz AMRFCWIAGJBHJO-KRWDZBQOSA-N 0 0 457.393 4.966 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC001546126224 1067916568 /nfs/dbraw/zinc/91/65/68/1067916568.db2.gz SYNKTEQVIBCUDI-CRAIPNDOSA-N 0 0 456.484 4.905 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 ZINC001461679034 1067917005 /nfs/dbraw/zinc/91/70/05/1067917005.db2.gz UKKUAPCPYBFVCO-IBGZPJMESA-N 0 0 452.501 4.653 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678922 1067917091 /nfs/dbraw/zinc/91/70/91/1067917091.db2.gz RDDFIPVJMYLGNF-HSZRJFAPSA-N 0 0 450.966 4.932 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001461681248 1067917375 /nfs/dbraw/zinc/91/73/75/1067917375.db2.gz BGZJDAQBSTYMHF-BXJCWQANSA-N 0 0 463.759 4.517 20 0 JJADRN CCOc1cncc(COC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)c1 ZINC001461689950 1067918581 /nfs/dbraw/zinc/91/85/81/1067918581.db2.gz NJMITBVJNPTEKZ-UHFFFAOYSA-N 0 0 456.424 4.833 20 0 JJADRN CCOc1cncc(COC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 ZINC001461688783 1067918751 /nfs/dbraw/zinc/91/87/51/1067918751.db2.gz KDPPLLGLGGMFFY-HNNXBMFYSA-N 0 0 453.320 4.787 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CCOCC1 ZINC001546126305 1067918768 /nfs/dbraw/zinc/91/87/68/1067918768.db2.gz UVLGJAJSWZUOQB-RTBURBONSA-N 0 0 492.064 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNCc3c(Cl)cccc3OC(F)F)sc2C1 ZINC001461692228 1067919214 /nfs/dbraw/zinc/91/92/14/1067919214.db2.gz VSTJDCGQCISPAM-UHFFFAOYSA-N 0 0 459.946 4.981 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001461692357 1067919620 /nfs/dbraw/zinc/91/96/20/1067919620.db2.gz TZBFEGWOSCUBBB-KSEOMHKRSA-N 0 0 452.551 4.958 20 0 JJADRN O=C(OCc1cccc(F)c1OC(F)F)c1nn(-c2ccccc2F)cc1Br ZINC001461693286 1067919654 /nfs/dbraw/zinc/91/96/54/1067919654.db2.gz QAUZJMNRRSKQGZ-UHFFFAOYSA-N 0 0 459.193 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001461700073 1067921227 /nfs/dbraw/zinc/92/12/27/1067921227.db2.gz PIYZZYUACBQAEI-OLKYXYMISA-N 0 0 468.569 4.833 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001546126398 1067921428 /nfs/dbraw/zinc/92/14/28/1067921428.db2.gz WHQSCJJDHZQICE-PMACEKPBSA-N 0 0 471.621 4.736 20 0 JJADRN CC(=O)N1CCN(c2ccc(NCc3cc(Cl)ccc3OCc3cccnc3)cc2)CC1 ZINC001461702111 1067921555 /nfs/dbraw/zinc/92/15/55/1067921555.db2.gz NWHVPBGTOYYLNE-UHFFFAOYSA-N 0 0 450.970 4.595 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001546126400 1067921579 /nfs/dbraw/zinc/92/15/79/1067921579.db2.gz WHQSCJJDHZQICE-VQTJNVASSA-N 0 0 471.621 4.736 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001461703532 1067921980 /nfs/dbraw/zinc/92/19/80/1067921980.db2.gz UMRXWOWNYOWCDA-QZTJIDSGSA-N 0 0 471.411 4.790 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001461717435 1067923991 /nfs/dbraw/zinc/92/39/91/1067923991.db2.gz USCWLTDXIUDVFX-LJQANCHMSA-N 0 0 451.441 4.675 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC001461718346 1067924426 /nfs/dbraw/zinc/92/44/26/1067924426.db2.gz HIYWKLYAIPAVEG-NRFANRHFSA-N 0 0 452.908 4.986 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC001461718033 1067924467 /nfs/dbraw/zinc/92/44/67/1067924467.db2.gz OZRFXXADMGWINW-HNNXBMFYSA-N 0 0 459.276 4.847 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccc2c(c1)CCCO2 ZINC001461718290 1067924509 /nfs/dbraw/zinc/92/45/09/1067924509.db2.gz PTIDEZALNVTOTA-LBPRGKRZSA-N 0 0 453.174 4.957 20 0 JJADRN COc1cc2ccc(NC(=O)C[C@H]3C(=O)Nc4c3cccc4Br)cc2cc1OC ZINC001461721080 1067925198 /nfs/dbraw/zinc/92/51/98/1067925198.db2.gz NAKPHBGIHKJXMN-MRXNPFEDSA-N 0 0 455.308 4.684 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)ccc1F ZINC001461722055 1067925455 /nfs/dbraw/zinc/92/54/55/1067925455.db2.gz XPGRWHSKSXSTSO-KKSFZXQISA-N 0 0 459.359 4.833 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(OC(F)F)c(OC)c3)cs2)cc1OC ZINC001461722714 1067925475 /nfs/dbraw/zinc/92/54/75/1067925475.db2.gz ZDGJFSUZFKGDHK-UHFFFAOYSA-N 0 0 450.463 4.619 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)nn1-c1ccccc1 ZINC001461721940 1067925484 /nfs/dbraw/zinc/92/54/84/1067925484.db2.gz XITUNAUUGSHOHW-FQEVSTJZSA-N 0 0 452.352 4.501 20 0 JJADRN CCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461722612 1067925490 /nfs/dbraw/zinc/92/54/90/1067925490.db2.gz PBAITEJEJQQRMW-QGZVFWFLSA-N 0 0 455.542 4.911 20 0 JJADRN Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)nnn1CCOc1ccc(F)cc1 ZINC001461724301 1067925877 /nfs/dbraw/zinc/92/58/77/1067925877.db2.gz ZASOGYINTGPUAF-UHFFFAOYSA-N 0 0 458.799 4.609 20 0 JJADRN Cc1cc([C@H](CC(=O)Nc2nc(C3(C)CC3)ns2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461724500 1067925892 /nfs/dbraw/zinc/92/58/92/1067925892.db2.gz QOUCQOOSLMDHCB-ZDUSSCGKSA-N 0 0 451.980 4.541 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCOC)CCOCC1 ZINC001546126581 1067926325 /nfs/dbraw/zinc/92/63/25/1067926325.db2.gz ZHHWYELALNVCHN-LJQANCHMSA-N 0 0 465.038 4.978 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001461726533 1067926640 /nfs/dbraw/zinc/92/66/40/1067926640.db2.gz VERXCEUMELJDHP-QHCPKHFHSA-N 0 0 459.443 4.628 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Br)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001461729628 1067926905 /nfs/dbraw/zinc/92/69/05/1067926905.db2.gz RHSPVIBKFULTNS-UHFFFAOYSA-N 0 0 454.702 4.869 20 0 JJADRN O=C(c1ccc(NCc2cc(F)ccc2Oc2cncc(Cl)c2)cc1F)N1CCOCC1 ZINC001461731298 1067926976 /nfs/dbraw/zinc/92/69/76/1067926976.db2.gz ZEAACJRWNHOOKZ-UHFFFAOYSA-N 0 0 459.880 4.890 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)c21 ZINC001461735650 1067927426 /nfs/dbraw/zinc/92/74/26/1067927426.db2.gz MBVFYBJQLWBTRJ-XMMPIXPASA-N 0 0 454.527 4.736 20 0 JJADRN COCCNS(=O)(=O)c1ccc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC001461736999 1067927850 /nfs/dbraw/zinc/92/78/50/1067927850.db2.gz KDWIVGVODCTJIH-UHFFFAOYSA-N 0 0 455.363 4.790 20 0 JJADRN Cc1cccc2c1C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)CO2 ZINC001461740746 1067928926 /nfs/dbraw/zinc/92/89/26/1067928926.db2.gz CLPHSINKHFKNFZ-XAEMIUIASA-N 0 0 458.961 4.596 20 0 JJADRN CCSC1(CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CC1 ZINC001461745174 1067929426 /nfs/dbraw/zinc/92/94/26/1067929426.db2.gz UREOSMZGHBVOFK-UHFFFAOYSA-N 0 0 458.649 4.822 20 0 JJADRN Cc1cc(C(=O)NCc2ccccc2CC(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001461746091 1067929432 /nfs/dbraw/zinc/92/94/32/1067929432.db2.gz LOELKKGCLLEJBC-UHFFFAOYSA-N 0 0 456.652 4.853 20 0 JJADRN CCOc1cccc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1OC(F)F ZINC001461750979 1067930212 /nfs/dbraw/zinc/93/02/12/1067930212.db2.gz FDZCKKNWTSQKBU-MRXNPFEDSA-N 0 0 454.539 4.719 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC001461752038 1067930612 /nfs/dbraw/zinc/93/06/12/1067930612.db2.gz FAKUAMUVWPWITI-SFHVURJKSA-N 0 0 459.413 4.568 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC001461756446 1067931410 /nfs/dbraw/zinc/93/14/10/1067931410.db2.gz RGNPFHSUOFGZHE-IBGZPJMESA-N 0 0 451.792 4.750 20 0 JJADRN COc1cc(OC)c(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)cc1OC ZINC001461759666 1067932146 /nfs/dbraw/zinc/93/21/46/1067932146.db2.gz SRQKFHUHGDDUTD-UHFFFAOYSA-N 0 0 451.704 4.929 20 0 JJADRN COc1cc(NC(=O)CSC(=S)N2CCC(C)CC2)c(Cl)cc1Br ZINC001461769239 1067933445 /nfs/dbraw/zinc/93/34/45/1067933445.db2.gz KYCGJABZXUWDOD-UHFFFAOYSA-N 0 0 451.839 4.800 20 0 JJADRN CC[C@@H](c1ccccc1)N(C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC001461771144 1067933828 /nfs/dbraw/zinc/93/38/28/1067933828.db2.gz XGMSTUWAZCLQGB-QRWLVFNGSA-N 0 0 457.368 4.822 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC001461774071 1067934848 /nfs/dbraw/zinc/93/48/48/1067934848.db2.gz HBJKKEWOIZDPFR-SFHVURJKSA-N 0 0 450.322 4.948 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001461773491 1067934887 /nfs/dbraw/zinc/93/48/87/1067934887.db2.gz DOSOMEFFYQUKQR-QGZVFWFLSA-N 0 0 459.370 4.503 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)nc1C ZINC001461779222 1067935572 /nfs/dbraw/zinc/93/55/72/1067935572.db2.gz ZLHVSNWINUESOB-UHFFFAOYSA-N 0 0 452.351 4.923 20 0 JJADRN COc1cc(CCNC(=O)c2ccc(-c3cnco3)cc2)cc(OC)c1OCc1ccccc1 ZINC001461778126 1067935644 /nfs/dbraw/zinc/93/56/44/1067935644.db2.gz PNHZMUJRUJBECQ-UHFFFAOYSA-N 0 0 458.514 4.910 20 0 JJADRN COc1ccc(Br)cc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001461792071 1067937979 /nfs/dbraw/zinc/93/79/79/1067937979.db2.gz JGFZEIKIYJXVLD-SNVBAGLBSA-N 0 0 459.123 4.723 20 0 JJADRN CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461793966 1067938175 /nfs/dbraw/zinc/93/81/75/1067938175.db2.gz FXEKVNMASNCHGE-SFHVURJKSA-N 0 0 458.452 4.932 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NCC(F)(F)c1ccc(F)cc1)N2C(=O)OC(C)(C)C ZINC001461794597 1067938271 /nfs/dbraw/zinc/93/82/71/1067938271.db2.gz IIXTZPDTTILGBR-IBGZPJMESA-N 0 0 452.448 4.848 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2cccc(Cl)c2)CC(C)C)c(OC)c1 ZINC001461797721 1067938594 /nfs/dbraw/zinc/93/85/94/1067938594.db2.gz VLDYUVDHWXLTBQ-JOCHJYFZSA-N 0 0 458.986 4.647 20 0 JJADRN O=C(CNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)OCc1ccc(Cl)cc1 ZINC001546127172 1067939045 /nfs/dbraw/zinc/93/90/45/1067939045.db2.gz ODZPVGKKYJFBSF-NRFANRHFSA-N 0 0 453.341 4.519 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3[C@H]2C)c1 ZINC001461799117 1067939060 /nfs/dbraw/zinc/93/90/60/1067939060.db2.gz OPHDAEFQYQTLFZ-GOSISDBHSA-N 0 0 450.560 4.546 20 0 JJADRN C[C@@]1(C(=O)NCC/C=C/c2ccc(Br)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001461800067 1067939081 /nfs/dbraw/zinc/93/90/81/1067939081.db2.gz SMOBNMONEITJAR-GGXQVSFTSA-N 0 0 455.396 4.911 20 0 JJADRN CC(=O)c1ccc(CC(=O)N2CCc3cc(Br)c(Br)cc3C2)cc1 ZINC001461803177 1067939439 /nfs/dbraw/zinc/93/94/39/1067939439.db2.gz GBZIVXWJFPQLQB-UHFFFAOYSA-N 0 0 451.158 4.542 20 0 JJADRN O=C(Oc1cccc(-c2ccccn2)c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001461807113 1067940173 /nfs/dbraw/zinc/94/01/73/1067940173.db2.gz UHVASXUVZFEZTB-NRFANRHFSA-N 0 0 451.320 4.721 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NCc3cn(-c4ccccc4Br)nc3C)nc21 ZINC001461809612 1067940517 /nfs/dbraw/zinc/94/05/17/1067940517.db2.gz FXRUBYUOAXQMIH-UHFFFAOYSA-N 0 0 454.328 4.608 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)O[C@H](c2cccc(OC)n2)C(F)(F)F)CC1=O ZINC001461829025 1067942825 /nfs/dbraw/zinc/94/28/25/1067942825.db2.gz HTLUILOCFOUGQV-VFCRVFHLSA-N 0 0 450.457 4.803 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ncc(F)cc1Cl ZINC001461829739 1067943205 /nfs/dbraw/zinc/94/32/05/1067943205.db2.gz XVKBSYQXXDKKIV-UHFFFAOYSA-N 0 0 457.893 4.992 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001461834030 1067943780 /nfs/dbraw/zinc/94/37/80/1067943780.db2.gz DBBPDOFHNWGMPG-OSPHWJPCSA-N 0 0 459.587 4.701 20 0 JJADRN COC[C@]1(C(=O)OC)CCCCN1C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001461835958 1067944024 /nfs/dbraw/zinc/94/40/24/1067944024.db2.gz JWSSPPSOHXWPDM-QHCPKHFHSA-N 0 0 459.589 4.971 20 0 JJADRN Cc1ccc(CC(=O)N2CCN(Cc3cc(F)ccc3Oc3cncc(Cl)c3)CC2)cc1 ZINC001461856043 1067948566 /nfs/dbraw/zinc/94/85/66/1067948566.db2.gz XEWQGRYPQLIRHL-UHFFFAOYSA-N 0 0 453.945 4.862 20 0 JJADRN C[C@@H]1C[C@H](OC(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001461859308 1067948770 /nfs/dbraw/zinc/94/87/70/1067948770.db2.gz RFLWHAOVNGLDFA-LQJIQPLVSA-N 0 0 471.457 4.801 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)c1ccccc1 ZINC001461862278 1067949735 /nfs/dbraw/zinc/94/97/35/1067949735.db2.gz ANXLOIWNQIRMGJ-CSNZXNIXSA-N 0 0 456.380 4.708 20 0 JJADRN COC[C@@H](C)Oc1ccc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 ZINC001461862734 1067949800 /nfs/dbraw/zinc/94/98/00/1067949800.db2.gz ARYHVBAXMPSEDS-MRXNPFEDSA-N 0 0 459.340 4.714 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2nc(C)ncc2Br)c1 ZINC001546127480 1067950467 /nfs/dbraw/zinc/95/04/67/1067950467.db2.gz VSUGURCLPSRHIJ-DENIHFKCSA-N 0 0 452.352 4.927 20 0 JJADRN O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001461872040 1067951713 /nfs/dbraw/zinc/95/17/13/1067951713.db2.gz ZBMVQVYVPDLGJF-LLVKDONJSA-N 0 0 451.310 4.643 20 0 JJADRN COc1ccc(C(=O)C2CCN(Cc3nc(N(C)C)n(-c4ccccc4)c3Cl)CC2)cc1 ZINC001461875169 1067952468 /nfs/dbraw/zinc/95/24/68/1067952468.db2.gz NXFYVLPKOJDIEU-UHFFFAOYSA-N 0 0 452.986 4.695 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccccc1 ZINC001461876095 1067952514 /nfs/dbraw/zinc/95/25/14/1067952514.db2.gz YWHVIPCRXZJFBQ-HSZRJFAPSA-N 0 0 457.368 4.846 20 0 JJADRN COc1ccc(Br)c(C(=O)N2[C@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461878302 1067952951 /nfs/dbraw/zinc/95/29/51/1067952951.db2.gz QXRDJADASBXZDQ-ZNMIVQPWSA-N 0 0 455.393 4.612 20 0 JJADRN COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3cc(O)c(OC)cc3Br)n2)c1 ZINC001461879866 1067953295 /nfs/dbraw/zinc/95/32/95/1067953295.db2.gz AHMGHTWEMGTJIL-LJQANCHMSA-N 0 0 458.356 4.899 20 0 JJADRN Cc1ccc(Br)c(COC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001461882078 1067953736 /nfs/dbraw/zinc/95/37/36/1067953736.db2.gz JWMDBHVVZJCBPM-UHFFFAOYSA-N 0 0 458.209 4.853 20 0 JJADRN COc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001461884298 1067954152 /nfs/dbraw/zinc/95/41/52/1067954152.db2.gz SIRZLJYJIGOKSS-JTQLQIEISA-N 0 0 458.139 4.756 20 0 JJADRN CN(C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c(F)c1 ZINC001461887412 1067955028 /nfs/dbraw/zinc/95/50/28/1067955028.db2.gz BXLSKSZUCFPETG-UHFFFAOYSA-N 0 0 452.873 4.879 20 0 JJADRN CCOc1cc(CN2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890113 1067955402 /nfs/dbraw/zinc/95/54/02/1067955402.db2.gz YBJVUUAYWDTALO-RHSMWYFYSA-N 0 0 457.409 4.821 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001461891952 1067955868 /nfs/dbraw/zinc/95/58/68/1067955868.db2.gz FTLXBGCVQZYHQT-UHFFFAOYSA-N 0 0 459.384 4.935 20 0 JJADRN Cc1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)nn1-c1ccccc1C(C)C ZINC001461894566 1067956590 /nfs/dbraw/zinc/95/65/90/1067956590.db2.gz CTVFCYNJVYRLMF-UHFFFAOYSA-N 0 0 455.603 4.657 20 0 JJADRN COc1ccc(OC(=O)c2cnc(Cl)cc2C(F)(F)F)cc1I ZINC001461896373 1067956602 /nfs/dbraw/zinc/95/66/02/1067956602.db2.gz FPURZVTXYGJMRF-UHFFFAOYSA-N 0 0 457.573 4.586 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001461896123 1067956700 /nfs/dbraw/zinc/95/67/00/1067956700.db2.gz DOLRMSZSHZBKFR-NRFANRHFSA-N 0 0 450.894 4.646 20 0 JJADRN CC(C)(C(=O)Oc1ccc(F)c(S(C)(=O)=O)c1)c1csc(-c2c(F)cccc2F)n1 ZINC001461906418 1067958880 /nfs/dbraw/zinc/95/88/80/1067958880.db2.gz BGBSRAFXEHRUTI-UHFFFAOYSA-N 0 0 455.479 4.514 20 0 JJADRN Cc1cccc(C(=O)NC2CCN(C(=O)Cc3cccc(OCc4ccccc4C)c3)CC2)c1 ZINC001461911316 1067959654 /nfs/dbraw/zinc/95/96/54/1067959654.db2.gz YOOJHUHMMGWZPB-UHFFFAOYSA-N 0 0 456.586 4.846 20 0 JJADRN CCOc1cc(CN2CCOC[C@@H]2c2ccccc2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461916281 1067960679 /nfs/dbraw/zinc/96/06/79/1067960679.db2.gz WVDIATIVNUCJRC-JOCHJYFZSA-N 0 0 451.519 4.617 20 0 JJADRN COc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cn2)cc1OC ZINC001461917574 1067960719 /nfs/dbraw/zinc/96/07/19/1067960719.db2.gz FPTZANZLTHAINV-UHFFFAOYSA-N 0 0 453.848 4.551 20 0 JJADRN O=C(Nc1nc(COc2ccccc2)cs1)c1c(F)cccc1I ZINC001461921200 1067961397 /nfs/dbraw/zinc/96/13/97/1067961397.db2.gz PMAOVAMAHMINJR-UHFFFAOYSA-N 0 0 454.264 4.718 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001461920042 1067961511 /nfs/dbraw/zinc/96/15/11/1067961511.db2.gz SHRRKRZZXRYYDE-VQHVLOKHSA-N 0 0 450.888 4.927 20 0 JJADRN COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(Br)c(C)cc1Br ZINC001461920713 1067961558 /nfs/dbraw/zinc/96/15/58/1067961558.db2.gz RWMVSXRXPOKUPT-GOSISDBHSA-N 0 0 453.174 4.792 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2c(F)ccc(I)c2F)C1 ZINC001461925680 1067962253 /nfs/dbraw/zinc/96/22/53/1067962253.db2.gz IHRDMHSPALEUGD-LBPRGKRZSA-N 0 0 451.295 4.513 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC001461931086 1067963301 /nfs/dbraw/zinc/96/33/01/1067963301.db2.gz GMJXHIDWKUVPNB-GOSISDBHSA-N 0 0 453.505 4.843 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCC3(C(F)(F)F)CCCC3)cc2)c1 ZINC001461932429 1067963319 /nfs/dbraw/zinc/96/33/19/1067963319.db2.gz BPRDCWZWYWMKES-UHFFFAOYSA-N 0 0 455.498 4.924 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)CCO2)cc1 ZINC001461933323 1067963745 /nfs/dbraw/zinc/96/37/45/1067963745.db2.gz HCYGZJDZJKEMTC-FQEVSTJZSA-N 0 0 458.530 4.975 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)Cc2ccccc2OCc2ccncc2)cc1Cl ZINC001461935504 1067964153 /nfs/dbraw/zinc/96/41/53/1067964153.db2.gz GHSDIZATIHYWDT-SFHVURJKSA-N 0 0 451.954 4.720 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461938979 1067964814 /nfs/dbraw/zinc/96/48/14/1067964814.db2.gz LWFPWKGUJNANIO-LJQANCHMSA-N 0 0 459.612 4.563 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCO[C@H](c4ccc(OC)cc4)C3)CC2(Cl)Cl)cc1 ZINC001461939511 1067964869 /nfs/dbraw/zinc/96/48/69/1067964869.db2.gz UOJIETMSESRFGG-RBBKRZOGSA-N 0 0 450.362 4.509 20 0 JJADRN Cn1cc(C[C@@H]2CCN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940263 1067964928 /nfs/dbraw/zinc/96/49/28/1067964928.db2.gz OYVQVPRGPYYGCO-HNNXBMFYSA-N 0 0 453.375 4.516 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461941587 1067965267 /nfs/dbraw/zinc/96/52/67/1067965267.db2.gz DHJCRYPRKYPNQX-OYRHEFFESA-N 0 0 458.933 4.546 20 0 JJADRN Clc1c(CN2CCN(Cc3ccc(Br)cc3)CC2)cnn1Cc1ccccc1 ZINC001461945178 1067965945 /nfs/dbraw/zinc/96/59/45/1067965945.db2.gz OIIKVYYBVRVUGE-UHFFFAOYSA-N 0 0 459.819 4.665 20 0 JJADRN Cc1cc(C)c(/C=C\CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC001461944957 1067966009 /nfs/dbraw/zinc/96/60/09/1067966009.db2.gz YGNYAGOPSIOJOT-PLNGDYQASA-N 0 0 453.435 4.938 20 0 JJADRN Cc1c(C(=O)N2CCC[C@]2(C)Cc2ccc(C)cc2)nnn1-c1cccc(Br)c1 ZINC001461948153 1067966759 /nfs/dbraw/zinc/96/67/59/1067966759.db2.gz VOSHRFVMYUTMFQ-HSZRJFAPSA-N 0 0 453.384 4.884 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NCc2ccnc(N3CCSCC3)c2)cs1 ZINC001461948027 1067966781 /nfs/dbraw/zinc/96/67/81/1067966781.db2.gz VKLACNOHXXBYRD-UHFFFAOYSA-N 0 0 456.662 4.622 20 0 JJADRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC001461948663 1067967141 /nfs/dbraw/zinc/96/71/41/1067967141.db2.gz IAYULHSHONTQCF-LJQANCHMSA-N 0 0 455.558 4.781 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c(F)cc3Br)CC2)cc1 ZINC001461951298 1067967585 /nfs/dbraw/zinc/96/75/85/1067967585.db2.gz JNNVBNWVVRCXHS-UHFFFAOYSA-N 0 0 453.739 4.585 20 0 JJADRN CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)c1Cl ZINC001461952680 1067967822 /nfs/dbraw/zinc/96/78/22/1067967822.db2.gz CNOWVSXIUPXHPQ-UHFFFAOYSA-N 0 0 453.919 4.623 20 0 JJADRN CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1Cl ZINC001461954211 1067968367 /nfs/dbraw/zinc/96/83/67/1067968367.db2.gz MCISKOVUWXYYRP-UHFFFAOYSA-N 0 0 451.285 4.921 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957796 1067968772 /nfs/dbraw/zinc/96/87/72/1067968772.db2.gz JHLUEPZFRHTLHU-CYBMUJFWSA-N 0 0 455.759 4.670 20 0 JJADRN CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1Cl ZINC001461957949 1067968835 /nfs/dbraw/zinc/96/88/35/1067968835.db2.gz WZCHEWIDKZKHAI-UHFFFAOYSA-N 0 0 456.901 4.897 20 0 JJADRN Cc1ccc(C)c(N(C(=O)c2c(F)cccc2I)C2CCOCC2)c1 ZINC001461959419 1067969411 /nfs/dbraw/zinc/96/94/11/1067969411.db2.gz QBYRGZNZSGWGSM-UHFFFAOYSA-N 0 0 453.295 4.873 20 0 JJADRN CCOc1cc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962016 1067969727 /nfs/dbraw/zinc/96/97/27/1067969727.db2.gz OUMGLCKGYZIIJV-GDBMZVCRSA-N 0 0 457.409 4.679 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)c2c1cccc2Br ZINC001461972002 1067972635 /nfs/dbraw/zinc/97/26/35/1067972635.db2.gz FPIRDFFPDICUBQ-INIZCTEOSA-N 0 0 451.158 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)C1 ZINC001461979710 1067973934 /nfs/dbraw/zinc/97/39/34/1067973934.db2.gz BEHUIPZRRKFDBX-IPMKNSEASA-N 0 0 462.553 4.620 20 0 JJADRN O=C(CCCCc1ccc(Cl)cc1)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC001461982020 1067974468 /nfs/dbraw/zinc/97/44/68/1067974468.db2.gz VGDOBNLKJCPIII-UHFFFAOYSA-N 0 0 456.789 4.784 20 0 JJADRN CN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H](CCc1ccccc1)C(F)F ZINC001461983479 1067974880 /nfs/dbraw/zinc/97/48/80/1067974880.db2.gz ZWLCJVYDJFJMSF-INIZCTEOSA-N 0 0 456.390 4.764 20 0 JJADRN CCOC(=O)CN(CCc1ccccc1)Cc1cn(-c2cccc(Br)c2)nc1C ZINC001461985820 1067975407 /nfs/dbraw/zinc/97/54/07/1067975407.db2.gz GMMYBBIDXCKSLE-UHFFFAOYSA-N 0 0 456.384 4.551 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001461996827 1067977137 /nfs/dbraw/zinc/97/71/37/1067977137.db2.gz MSFQVSYOZQHPJR-OAHLLOKOSA-N 0 0 457.383 4.692 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(SC(F)(F)F)c3)CC2)cc1 ZINC001461998084 1067977550 /nfs/dbraw/zinc/97/75/50/1067977550.db2.gz RNLHHWJPLUXQLJ-UHFFFAOYSA-N 0 0 458.527 4.646 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(SC(F)(F)F)c2)c1 ZINC001461998422 1067977626 /nfs/dbraw/zinc/97/76/26/1067977626.db2.gz STMSATGFHOBQKB-UHFFFAOYSA-N 0 0 450.479 4.719 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001462016213 1067981402 /nfs/dbraw/zinc/98/14/02/1067981402.db2.gz YAYOPPLBDLBPSN-UHFFFAOYSA-N 0 0 453.396 4.802 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(Cl)c(CN3CCCN(C(=O)c4ccccc4F)CC3)cc12 ZINC001462014837 1067981428 /nfs/dbraw/zinc/98/14/28/1067981428.db2.gz MBWCFERACCWKQR-UHFFFAOYSA-N 0 0 457.981 4.635 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CCc2cc(Br)c(Cl)cc21 ZINC001462017738 1067981988 /nfs/dbraw/zinc/98/19/88/1067981988.db2.gz CHWKAPMXRAMWDT-LBPRGKRZSA-N 0 0 457.549 4.930 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC001462019118 1067982447 /nfs/dbraw/zinc/98/24/47/1067982447.db2.gz RAQHTCGPAZLZSD-UHFFFAOYSA-N 0 0 453.313 4.577 20 0 JJADRN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001462026733 1067984191 /nfs/dbraw/zinc/98/41/91/1067984191.db2.gz YTFFYWPVIKKNLA-FQEVSTJZSA-N 0 0 458.528 4.946 20 0 JJADRN Cc1cc(N2CCN(Cc3cccc(Br)c3OC(F)F)CC2)nc(C(C)C)n1 ZINC001462028191 1067984491 /nfs/dbraw/zinc/98/44/91/1067984491.db2.gz JHYMGVWNJQDDDW-UHFFFAOYSA-N 0 0 455.347 4.595 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001462035701 1067985464 /nfs/dbraw/zinc/98/54/64/1067985464.db2.gz RJCZFLOSXIFDPM-OAUYIBNBSA-N 0 0 451.158 4.597 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001462034683 1067985684 /nfs/dbraw/zinc/98/56/84/1067985684.db2.gz UHDMEZRIJBQMTC-SFHVURJKSA-N 0 0 456.949 4.708 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001462036345 1067986085 /nfs/dbraw/zinc/98/60/85/1067986085.db2.gz YVTKFCQWHBDQEO-MRXNPFEDSA-N 0 0 458.867 4.997 20 0 JJADRN COc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc(Cl)c1OCCC(C)C ZINC001462041276 1067987282 /nfs/dbraw/zinc/98/72/82/1067987282.db2.gz JLPIGIYMAKBBRF-IRXDYDNUSA-N 0 0 452.979 4.607 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n2)s1 ZINC001462040079 1067987416 /nfs/dbraw/zinc/98/74/16/1067987416.db2.gz LIUBAIXQMRNUKH-UHFFFAOYSA-N 0 0 456.421 4.696 20 0 JJADRN CCOc1cc(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)ccc1OC(=O)CC ZINC001462046930 1067988960 /nfs/dbraw/zinc/98/89/60/1067988960.db2.gz OOKMPZSUKBHCQS-SFHVURJKSA-N 0 0 453.608 4.889 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001462047377 1067989423 /nfs/dbraw/zinc/98/94/23/1067989423.db2.gz GKUZJFAMVFHEIJ-GGNLRSJOSA-N 0 0 455.368 4.803 20 0 JJADRN COc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1C ZINC001462048734 1067990057 /nfs/dbraw/zinc/99/00/57/1067990057.db2.gz IRNLNIKTDQOHGD-UHFFFAOYSA-N 0 0 450.988 4.782 20 0 JJADRN O=S(=O)([C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1)N1CCc2ccccc21 ZINC001462049412 1067990084 /nfs/dbraw/zinc/99/00/84/1067990084.db2.gz HCSQAHOWLJRKGH-GOSISDBHSA-N 0 0 458.933 4.716 20 0 JJADRN CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1Br ZINC001462053975 1067991806 /nfs/dbraw/zinc/99/18/06/1067991806.db2.gz UUQOXJUCHIMSAM-OLQIXAPSSA-N 0 0 451.405 4.918 20 0 JJADRN O=C(COc1ccccc1NCc1c(F)ccc(C2OCCO2)c1Cl)Nc1cccnc1 ZINC001462054819 1067992072 /nfs/dbraw/zinc/99/20/72/1067992072.db2.gz RCKGYZTWUFOYLL-UHFFFAOYSA-N 0 0 457.889 4.549 20 0 JJADRN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cccc(Br)c2Cl)CC1 ZINC001462057501 1067992520 /nfs/dbraw/zinc/99/25/20/1067992520.db2.gz XGTHKYIJXZACEJ-UHFFFAOYSA-N 0 0 451.748 4.682 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cncc(N(C)C)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462058658 1067993446 /nfs/dbraw/zinc/99/34/46/1067993446.db2.gz GGFSOTVUBWQJJV-AOYPEHQESA-N 0 0 458.562 4.588 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001462060300 1067993535 /nfs/dbraw/zinc/99/35/35/1067993535.db2.gz GIVVOAXZIRWNFQ-UHFFFAOYSA-N 0 0 457.243 4.649 20 0 JJADRN Cc1nccc(N2CCN(Cc3ccccc3Oc3ccc(Br)cc3F)CC2)n1 ZINC001462063205 1067993859 /nfs/dbraw/zinc/99/38/59/1067993859.db2.gz AXNNUQBNGLUOOJ-UHFFFAOYSA-N 0 0 457.347 4.801 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3(C)C)cc2)C1 ZINC001462064072 1067993944 /nfs/dbraw/zinc/99/39/44/1067993944.db2.gz KSCKVKUVIMTVIE-MBSDFSHPSA-N 0 0 458.599 4.655 20 0 JJADRN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)COc1cccc(I)c1 ZINC001462063994 1067994019 /nfs/dbraw/zinc/99/40/19/1067994019.db2.gz JLLXLIZSQQMLQC-SFHVURJKSA-N 0 0 453.295 4.604 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3nn(-c4ccccc4)cc3Br)C2)cc1 ZINC001546129189 1067994437 /nfs/dbraw/zinc/99/44/37/1067994437.db2.gz XEFABAFRAUXAOA-HXUWFJFHSA-N 0 0 453.384 4.684 20 0 JJADRN O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCOC2=O)ccc1F ZINC001462064904 1067994535 /nfs/dbraw/zinc/99/45/35/1067994535.db2.gz KGCIIRXYCWCKET-UHFFFAOYSA-N 0 0 452.389 4.572 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)cc2F)n1 ZINC001462070101 1067996181 /nfs/dbraw/zinc/99/61/81/1067996181.db2.gz YLAMZHCTORRSRD-NRFANRHFSA-N 0 0 459.905 4.884 20 0 JJADRN Fc1ccc(CN2CCN(CC(F)(F)F)c3ccccc32)c(I)c1 ZINC001462071906 1067996209 /nfs/dbraw/zinc/99/62/09/1067996209.db2.gz AEZJCEXBZCODIE-UHFFFAOYSA-N 0 0 450.217 4.819 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462074779 1067996724 /nfs/dbraw/zinc/99/67/24/1067996724.db2.gz YAZUZUFNRODURZ-IAGOWNOFSA-N 0 0 452.521 4.780 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)C1 ZINC001462073443 1067996836 /nfs/dbraw/zinc/99/68/36/1067996836.db2.gz SJPOUBDPEWBXNR-DOTOQJQBSA-N 0 0 456.637 4.879 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462074782 1067997066 /nfs/dbraw/zinc/99/70/66/1067997066.db2.gz YAZUZUFNRODURZ-SJORKVTESA-N 0 0 452.521 4.780 20 0 JJADRN FC(F)(F)c1ccc([C@H]2CN(Cc3ccc(I)s3)CCO2)cc1 ZINC001462079739 1067997416 /nfs/dbraw/zinc/99/74/16/1067997416.db2.gz GJIRVMOKECPBIA-CQSZACIVSA-N 0 0 453.267 4.945 20 0 JJADRN C[C@@H](CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C1CCCCC1 ZINC001462086508 1067998916 /nfs/dbraw/zinc/99/89/16/1067998916.db2.gz HSQTWQUZELENQM-FQEVSTJZSA-N 0 0 454.636 4.722 20 0 JJADRN Fc1ccc(Oc2ccc(CN3CCCN(c4nnc(C(F)(F)F)s4)CC3)cn2)cc1 ZINC001462086570 1067999533 /nfs/dbraw/zinc/99/95/33/1067999533.db2.gz RZXLODNFTNSCNH-UHFFFAOYSA-N 0 0 453.465 4.596 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(Cc1cn(-c3ccccc3Br)nc1C)CCO2 ZINC001462090245 1067999694 /nfs/dbraw/zinc/99/96/94/1067999694.db2.gz AWCZDYNVBLQYJY-UHFFFAOYSA-N 0 0 456.340 4.519 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c2ccccc12 ZINC001462090976 1068000229 /nfs/dbraw/zinc/00/02/29/1068000229.db2.gz HLMGNKIDBCZKGC-UHFFFAOYSA-N 0 0 458.371 4.617 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)C1 ZINC001462096313 1068001720 /nfs/dbraw/zinc/00/17/20/1068001720.db2.gz KFGUJRRTNSVKBK-SXOMAYOGSA-N 0 0 450.554 4.823 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C(C)=O)C[C@H]2C)CCCC1 ZINC001546129400 1068001974 /nfs/dbraw/zinc/00/19/74/1068001974.db2.gz FHLVCUIJYZZVMY-MRXNPFEDSA-N 0 0 492.437 4.874 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3(C)C)cc2CN1C(=O)OC(C)(C)C ZINC001462100676 1068002634 /nfs/dbraw/zinc/00/26/34/1068002634.db2.gz ZYRCNMDGKLQEMV-JXFKEZNVSA-N 0 0 456.562 4.570 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001462102120 1068002752 /nfs/dbraw/zinc/00/27/52/1068002752.db2.gz FCJZIICBLDZYHQ-MRXNPFEDSA-N 0 0 456.306 4.825 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@H]3C)CCC2=O)c1 ZINC001462102161 1068002877 /nfs/dbraw/zinc/00/28/77/1068002877.db2.gz FHSAIIZOGMGZDD-AEFFLSMTSA-N 0 0 454.368 4.645 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(CCCO)CC2)CCCC1 ZINC001546129438 1068003888 /nfs/dbraw/zinc/00/38/88/1068003888.db2.gz GSCIYIGUOQNCHZ-UHFFFAOYSA-N 0 0 456.631 4.922 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001462105455 1068004001 /nfs/dbraw/zinc/00/40/01/1068004001.db2.gz SRMFGIBIUXRDNB-HNNXBMFYSA-N 0 0 453.262 4.796 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC001462106807 1068004527 /nfs/dbraw/zinc/00/45/27/1068004527.db2.gz YFEZMSWDSLMDRE-HXUWFJFHSA-N 0 0 450.398 4.917 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@H]3C)c(C)c12 ZINC001462106848 1068004791 /nfs/dbraw/zinc/00/47/91/1068004791.db2.gz ZCANQHBZFNWZPY-ACJLOTCBSA-N 0 0 455.400 4.603 20 0 JJADRN CCCCCn1nc(C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@H]2C)c2ccccc2c1=O ZINC001462110240 1068006300 /nfs/dbraw/zinc/00/63/00/1068006300.db2.gz QMYZQNMIWSZBKX-FDDCHVKYSA-N 0 0 451.542 4.858 20 0 JJADRN Cc1ccc(N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C2CCOCC2)cc1F ZINC001462110878 1068006313 /nfs/dbraw/zinc/00/63/13/1068006313.db2.gz OCNLNGGUWYXTLT-UHFFFAOYSA-N 0 0 458.331 4.908 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCc3ccc4cccnc4c3)cc2Br)no1 ZINC001462112045 1068007030 /nfs/dbraw/zinc/00/70/30/1068007030.db2.gz BCWICTFGVBUKKH-UHFFFAOYSA-N 0 0 452.308 4.803 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NCc1cnc2c(C)cc(Br)cn12 ZINC001462122058 1068009580 /nfs/dbraw/zinc/00/95/80/1068009580.db2.gz ZRZOYKQSDUDKEX-DYESRHJHSA-N 0 0 456.384 4.547 20 0 JJADRN Cc1c(F)cccc1N(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCO[C@H]1C ZINC001462123189 1068010020 /nfs/dbraw/zinc/01/00/20/1068010020.db2.gz ZXCMLSKYBXWGDO-CPJSRVTESA-N 0 0 452.570 4.516 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127683 1068011154 /nfs/dbraw/zinc/01/11/54/1068011154.db2.gz NXNHDCGXLDFVSE-NYHFZMIOSA-N 0 0 450.348 4.901 20 0 JJADRN CCOC(=O)[C@@H](NC1CCC(OC2CCCC2)CC1)c1ccc(OC)c(Br)c1 ZINC001462131221 1068012231 /nfs/dbraw/zinc/01/22/31/1068012231.db2.gz QXFFPYNEGQUNMS-IAYYMHMVSA-N 0 0 454.405 4.922 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)Cc2ccccc2OCc2ccccc2)CC1=O ZINC001462133577 1068012929 /nfs/dbraw/zinc/01/29/29/1068012929.db2.gz VNJUDJCTOBQUHN-HSZRJFAPSA-N 0 0 458.558 4.594 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CCOCC1 ZINC001546129623 1068013799 /nfs/dbraw/zinc/01/37/99/1068013799.db2.gz MSAJFLIFHYJYKL-KRWDZBQOSA-N 0 0 464.452 4.879 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@H](C)Oc1ccccc1Br)C2 ZINC001462141783 1068014212 /nfs/dbraw/zinc/01/42/12/1068014212.db2.gz WLPUYDIXMHUYSV-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)c1 ZINC001462145257 1068014496 /nfs/dbraw/zinc/01/44/96/1068014496.db2.gz JQLBBXFBQDGFIS-LEWJYISDSA-N 0 0 469.607 4.686 20 0 JJADRN CCOCCN(C(=O)c1ccc(I)cc1F)[C@@H]1CCc2ccccc21 ZINC001462144471 1068014574 /nfs/dbraw/zinc/01/45/74/1068014574.db2.gz BZSSIFDWMIAAPI-LJQANCHMSA-N 0 0 453.295 4.597 20 0 JJADRN CO[C@@H]1CC[C@@H](C)N(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001462146141 1068014994 /nfs/dbraw/zinc/01/49/94/1068014994.db2.gz OKQQZSYLTLPTDH-CZUORRHYSA-N 0 0 450.486 4.654 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC001462147901 1068015431 /nfs/dbraw/zinc/01/54/31/1068015431.db2.gz QOZHTUIQRDDAHP-UEELHNSWSA-N 0 0 457.621 4.614 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H](n3cncn3)C(F)(F)F)c2C1 ZINC001462152851 1068017229 /nfs/dbraw/zinc/01/72/29/1068017229.db2.gz BJNVZRDYCWRYHE-YWZLYKJASA-N 0 0 459.516 4.901 20 0 JJADRN Cc1nn(C)c(CN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1Br ZINC001462156656 1068018393 /nfs/dbraw/zinc/01/83/93/1068018393.db2.gz PJKPGHGOEJESRQ-UHFFFAOYSA-N 0 0 450.274 4.850 20 0 JJADRN O=C(NC[C@@H](n1cncn1)C(F)(F)F)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001462158296 1068018573 /nfs/dbraw/zinc/01/85/73/1068018573.db2.gz PKCWWAAEFXUCFF-IAGOWNOFSA-N 0 0 459.255 4.625 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001462161238 1068019362 /nfs/dbraw/zinc/01/93/62/1068019362.db2.gz LBVLMZDOZNLWMJ-XLIONFOSSA-N 0 0 451.723 4.912 20 0 JJADRN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC001462163328 1068019664 /nfs/dbraw/zinc/01/96/64/1068019664.db2.gz XFHOLXUISNFWEM-PXNSSMCTSA-N 0 0 453.970 4.797 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCN(c2ccc(F)cc2F)CC1 ZINC001462165017 1068020361 /nfs/dbraw/zinc/02/03/61/1068020361.db2.gz FCNITDJSMCLIPI-UHFFFAOYSA-N 0 0 459.493 4.689 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001546129808 1068021139 /nfs/dbraw/zinc/02/11/39/1068021139.db2.gz VDPPPXPUQHDOGE-UHFFFAOYSA-N 0 0 485.430 4.918 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001462168165 1068021224 /nfs/dbraw/zinc/02/12/24/1068021224.db2.gz WUJJOUSKLBJKQW-NJYVYQBISA-N 0 0 462.949 4.734 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3c(C)ccc4cnccc43)n2)cc(Cl)c1OC ZINC001462172070 1068021546 /nfs/dbraw/zinc/02/15/46/1068021546.db2.gz PCNFIJOXYIRXRA-UHFFFAOYSA-N 0 0 452.898 4.835 20 0 JJADRN COC(=O)c1cc2c(cc1NC(=O)c1ccc3ccc(Br)cc3c1)OCCCO2 ZINC001462171389 1068021577 /nfs/dbraw/zinc/02/15/77/1068021577.db2.gz QULMSUPDDXUFCS-UHFFFAOYSA-N 0 0 456.292 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001462174324 1068021819 /nfs/dbraw/zinc/02/18/19/1068021819.db2.gz AEWZUAJHCBTSEV-MANSERQUSA-N 0 0 463.416 4.629 20 0 JJADRN O=C1C[C@]2(CCN(Cc3ccc(Br)cc3Oc3ccc(F)c(Cl)c3)C2)CN1 ZINC001462180691 1068023562 /nfs/dbraw/zinc/02/35/62/1068023562.db2.gz CQFXAWXBDZLXNY-HXUWFJFHSA-N 0 0 453.739 4.746 20 0 JJADRN COC(=O)c1[nH]c2ccccc2c1CN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181560 1068023678 /nfs/dbraw/zinc/02/36/78/1068023678.db2.gz AXKLJXOQKUSMLW-GFCCVEGCSA-N 0 0 455.312 4.618 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001546129940 1068024578 /nfs/dbraw/zinc/02/45/78/1068024578.db2.gz ZEMZCXCIEVWJCW-OAHLLOKOSA-N 0 0 493.450 4.672 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001462186408 1068024904 /nfs/dbraw/zinc/02/49/04/1068024904.db2.gz QIWLRLSUHKUADB-OAQYLSRUSA-N 0 0 452.432 4.637 20 0 JJADRN COCCN(Cc1cn2ccc(Br)cc2n1)Cc1cc(Br)cs1 ZINC001462190492 1068025862 /nfs/dbraw/zinc/02/58/62/1068025862.db2.gz LWNXPWBHAKRYEY-UHFFFAOYSA-N 0 0 459.207 4.569 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC001462193330 1068026026 /nfs/dbraw/zinc/02/60/26/1068026026.db2.gz VBZIUKWUVGTQTQ-FQEVSTJZSA-N 0 0 455.580 4.907 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CCC1 ZINC001546129968 1068027260 /nfs/dbraw/zinc/02/72/60/1068027260.db2.gz ZTKSDPMFVUTPMF-QGZVFWFLSA-N 0 0 451.537 4.607 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)COc1ccc(C(C)(C)C)cc1)CCO2 ZINC001462198638 1068027556 /nfs/dbraw/zinc/02/75/56/1068027556.db2.gz UORZJGVTGDLAOX-UHFFFAOYSA-N 0 0 454.567 4.813 20 0 JJADRN Cc1cc2cc(C(=O)Nc3[nH]nc4cnc(Br)cc43)oc2c(Br)c1 ZINC001462200358 1068027922 /nfs/dbraw/zinc/02/79/22/1068027922.db2.gz PYDPOSANQMWHLH-UHFFFAOYSA-N 0 0 450.090 4.790 20 0 JJADRN Ic1cccc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201243 1068027951 /nfs/dbraw/zinc/02/79/51/1068027951.db2.gz VKLWWRRRNNCPHW-QGZVFWFLSA-N 0 0 450.368 4.837 20 0 JJADRN CCSc1ccc(COC(=O)CCc2c(C)nc(SC)[nH]c2=O)c(Br)c1 ZINC001462210585 1068029959 /nfs/dbraw/zinc/02/99/59/1068029959.db2.gz MSIYITPQQFNKTC-UHFFFAOYSA-N 0 0 457.415 4.763 20 0 JJADRN CC(C)(C)OC(=O)N(CCNc1cccc(S(=O)(=O)N2CCCCCC2)c1)C(C)(C)C ZINC001462220777 1068031136 /nfs/dbraw/zinc/03/11/36/1068031136.db2.gz ZSNCTWGXYWSHCP-UHFFFAOYSA-N 0 0 453.649 4.699 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)c1 ZINC001462221175 1068031632 /nfs/dbraw/zinc/03/16/32/1068031632.db2.gz XJUYYJKVTJAZKK-JOCHJYFZSA-N 0 0 453.526 4.857 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)N3CCC[C@@]3(C)Cc3ccc(Cl)c(F)c3)c2C)cc1 ZINC001462226273 1068032878 /nfs/dbraw/zinc/03/28/78/1068032878.db2.gz FMXDNYGJZPJFPQ-DEOSSOPVSA-N 0 0 456.949 4.673 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001462227094 1068033038 /nfs/dbraw/zinc/03/30/38/1068033038.db2.gz DLICBNFQHGUSSF-BETUJISGSA-N 0 0 454.951 4.546 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001462228363 1068033431 /nfs/dbraw/zinc/03/34/31/1068033431.db2.gz QMXQLNHUEXDJIR-QMHKHESXSA-N 0 0 455.039 4.640 20 0 JJADRN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001462233170 1068034395 /nfs/dbraw/zinc/03/43/95/1068034395.db2.gz XABJKBDLWUCBJQ-WNSKOXEYSA-N 0 0 450.888 4.734 20 0 JJADRN CC(C)(C)OC(=O)NC1(CCNc2ccc3c(c2)N(CC(F)F)CCS3)CCOCC1 ZINC001462234002 1068034615 /nfs/dbraw/zinc/03/46/15/1068034615.db2.gz JSKMNRKVMMXRQA-UHFFFAOYSA-N 0 0 457.587 4.740 20 0 JJADRN COCc1c(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)sc2cccc(F)c21 ZINC001462234153 1068034767 /nfs/dbraw/zinc/03/47/67/1068034767.db2.gz YPJQQGCZFJJNNX-CQSZACIVSA-N 0 0 450.576 4.952 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462233775 1068034863 /nfs/dbraw/zinc/03/48/63/1068034863.db2.gz LRRFFKFKLVXZJG-YZGWKJHDSA-N 0 0 467.651 4.612 20 0 JJADRN C[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462234520 1068034930 /nfs/dbraw/zinc/03/49/30/1068034930.db2.gz BCKIKMCAMMNYFY-AWEZNQCLSA-N 0 0 453.505 4.963 20 0 JJADRN C[C@H](NC(=O)Cc1c(Cl)cccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462236616 1068035345 /nfs/dbraw/zinc/03/53/45/1068035345.db2.gz DULFBTANPVNVMY-ZDUSSCGKSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC001462237462 1068035454 /nfs/dbraw/zinc/03/54/54/1068035454.db2.gz BLCQUXLBVGSQIG-UHFFFAOYSA-N 0 0 456.468 4.729 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244511 1068036835 /nfs/dbraw/zinc/03/68/35/1068036835.db2.gz QZGWQGHWNCHMEP-MUUNZHRXSA-N 0 0 457.618 4.652 20 0 JJADRN C[C@H](CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(S(C)(=O)=O)cc1 ZINC001462245325 1068036991 /nfs/dbraw/zinc/03/69/91/1068036991.db2.gz DCZPQSDOTMYFGC-CQSZACIVSA-N 0 0 451.466 4.902 20 0 JJADRN CCCc1sc(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1Br ZINC001462247639 1068037348 /nfs/dbraw/zinc/03/73/48/1068037348.db2.gz XQHSLFNXAZAKCV-UHFFFAOYSA-N 0 0 450.324 4.945 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001462246877 1068037555 /nfs/dbraw/zinc/03/75/55/1068037555.db2.gz WLDBQBSISLYWCG-QFIPXVFZSA-N 0 0 450.604 4.753 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001462250033 1068038036 /nfs/dbraw/zinc/03/80/36/1068038036.db2.gz UEIJXNVRHNEADD-YOEHRIQHSA-N 0 0 450.963 4.894 20 0 JJADRN [O-]c1c(Br)cc(C[NH2+]Cc2c(F)cccc2-n2cccn2)cc1Br ZINC001462250406 1068038124 /nfs/dbraw/zinc/03/81/24/1068038124.db2.gz XTHFTWYWDBXLML-UHFFFAOYSA-N 0 0 455.125 4.532 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462252790 1068038301 /nfs/dbraw/zinc/03/83/01/1068038301.db2.gz ZQQTVPKXWTUWTA-QFIPXVFZSA-N 0 0 450.558 4.950 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462252787 1068038321 /nfs/dbraw/zinc/03/83/21/1068038321.db2.gz ZQQTVPKXWTUWTA-JOCHJYFZSA-N 0 0 450.558 4.950 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)NC[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC001462251472 1068038493 /nfs/dbraw/zinc/03/84/93/1068038493.db2.gz WKDXMNQYFHWGNO-QGZVFWFLSA-N 0 0 456.633 4.799 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1cnc(-c2ccccc2Br)s1 ZINC001462257353 1068039662 /nfs/dbraw/zinc/03/96/62/1068039662.db2.gz OLCGBAMMSGTFRI-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3c4cccnc4n(C)c3C(=O)OC)cs2)cc1 ZINC001462267776 1068041215 /nfs/dbraw/zinc/04/12/15/1068041215.db2.gz HNTNNJIBMSVNJK-UHFFFAOYSA-N 0 0 450.520 4.525 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1noc2ccc(F)cc21 ZINC001462269907 1068041421 /nfs/dbraw/zinc/04/14/21/1068041421.db2.gz PELSDFPWONHIJA-HXUWFJFHSA-N 0 0 451.885 4.798 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1cc2ccnc(Cl)c2s1 ZINC001462275428 1068042039 /nfs/dbraw/zinc/04/20/39/1068042039.db2.gz DGYRYHGDDKLAJX-INIZCTEOSA-N 0 0 451.773 4.812 20 0 JJADRN COC(=O)N1CCN(c2ccc(N[C@H](C)Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)CC1 ZINC001462276174 1068042495 /nfs/dbraw/zinc/04/24/95/1068042495.db2.gz NYOFAGTUVNFIAZ-CQSZACIVSA-N 0 0 456.896 4.685 20 0 JJADRN Cc1ccc(-n2c(Cl)c(CN3CCC[C@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280469 1068043157 /nfs/dbraw/zinc/04/31/57/1068043157.db2.gz BXWVTLVNVFVOEW-SANMLTNESA-N 0 0 453.030 4.717 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001462281541 1068043469 /nfs/dbraw/zinc/04/34/69/1068043469.db2.gz UUARAMFWOQSLHA-GUYCJALGSA-N 0 0 455.395 4.504 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462282759 1068043843 /nfs/dbraw/zinc/04/38/43/1068043843.db2.gz WFEMWRQDUYRIBW-DYVFJYSZSA-N 0 0 455.395 4.504 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc(I)c(F)c1 ZINC001462287588 1068044223 /nfs/dbraw/zinc/04/42/23/1068044223.db2.gz INMMOHJMNZAUMV-IBGZPJMESA-N 0 0 459.249 4.946 20 0 JJADRN CCCCc1nc(C)c(CC(=O)N(C)[C@@H](C(=O)OC)c2ccc(Br)s2)s1 ZINC001462290281 1068044567 /nfs/dbraw/zinc/04/45/67/1068044567.db2.gz DJXRCVHDOOHHJQ-QGZVFWFLSA-N 0 0 459.431 4.533 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)CCCc1ccc(SC)cc1 ZINC001462289700 1068044592 /nfs/dbraw/zinc/04/45/92/1068044592.db2.gz BVPCOWJEKNSYCN-SFHVURJKSA-N 0 0 456.427 4.928 20 0 JJADRN CCCCc1nc(C)c(CC(=O)N(C)[C@H](C(=O)OC)c2ccc(Br)s2)s1 ZINC001462290274 1068044638 /nfs/dbraw/zinc/04/46/38/1068044638.db2.gz DJXRCVHDOOHHJQ-KRWDZBQOSA-N 0 0 459.431 4.533 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 ZINC001462292185 1068045141 /nfs/dbraw/zinc/04/51/41/1068045141.db2.gz NLHUQYZCOQFAPK-YLJYHZDGSA-N 0 0 466.607 4.633 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001462298434 1068046553 /nfs/dbraw/zinc/04/65/53/1068046553.db2.gz YPBLARNICOQNJP-UHFFFAOYSA-N 0 0 456.218 4.794 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2ccc(Br)s2)cc1 ZINC001462299497 1068046909 /nfs/dbraw/zinc/04/69/09/1068046909.db2.gz SESZADWHWCLQBV-GOSISDBHSA-N 0 0 453.402 4.733 20 0 JJADRN C[C@@H](CN1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462309748 1068048182 /nfs/dbraw/zinc/04/81/82/1068048182.db2.gz XTAXESXFKVJRFD-OALUTQOASA-N 0 0 458.624 4.839 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462313390 1068049231 /nfs/dbraw/zinc/04/92/31/1068049231.db2.gz YMZKLUJRSQLCJP-OALUTQOASA-N 0 0 450.579 4.673 20 0 JJADRN O=C(Nc1ccc2c(c1)SCC(=O)N2)c1csc(-c2cc(Br)cs2)n1 ZINC001462322823 1068051076 /nfs/dbraw/zinc/05/10/76/1068051076.db2.gz LEGZBOAGBPBITA-UHFFFAOYSA-N 0 0 452.380 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001462322382 1068051118 /nfs/dbraw/zinc/05/11/18/1068051118.db2.gz FGMGYSFLAVGEOU-UXHICEINSA-N 0 0 457.958 4.722 20 0 JJADRN COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(Br)c1 ZINC001462323624 1068051479 /nfs/dbraw/zinc/05/14/79/1068051479.db2.gz OIPSKHQSLYNMBX-RCCFBDPRSA-N 0 0 453.174 4.819 20 0 JJADRN COc1nsc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1Cl ZINC001462331330 1068052490 /nfs/dbraw/zinc/05/24/90/1068052490.db2.gz JGCALVRBLAZKTH-JKSUJKDBSA-N 0 0 455.983 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001462330403 1068052579 /nfs/dbraw/zinc/05/25/79/1068052579.db2.gz VRAXMSWEIMJRBC-VSZNYVQBSA-N 0 0 454.489 4.689 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC[C@H]4[C@H]3CCN4C(=O)OC(C)(C)C)c2)cs1 ZINC001462330717 1068052596 /nfs/dbraw/zinc/05/25/96/1068052596.db2.gz WHGPOOXYTNUILQ-LEWJYISDSA-N 0 0 457.596 4.645 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCC[C@@H](COC)C2)CCCC1 ZINC001546130861 1068052696 /nfs/dbraw/zinc/05/26/96/1068052696.db2.gz GUNXHNIIDSNAOR-HXUWFJFHSA-N 0 0 474.671 4.572 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1F)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001462333112 1068053124 /nfs/dbraw/zinc/05/31/24/1068053124.db2.gz NUYCTSPEBWIWSN-QHCPKHFHSA-N 0 0 454.521 4.789 20 0 JJADRN COC(=O)[C@H](C)c1cccc(NC2CCN(C(=O)c3ccc(Br)cc3C)CC2)c1 ZINC001462340405 1068054534 /nfs/dbraw/zinc/05/45/34/1068054534.db2.gz WWMFLZHZCBCXTN-MRXNPFEDSA-N 0 0 459.384 4.751 20 0 JJADRN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001462341210 1068054564 /nfs/dbraw/zinc/05/45/64/1068054564.db2.gz UBDNMKZZUMYBGE-BFUOFWGJSA-N 0 0 453.327 4.578 20 0 JJADRN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001462341215 1068054692 /nfs/dbraw/zinc/05/46/92/1068054692.db2.gz UBDNMKZZUMYBGE-YJYMSZOUSA-N 0 0 453.327 4.578 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(COC)c2)[C@H]1c1ccccc1OC ZINC001462343838 1068055357 /nfs/dbraw/zinc/05/53/57/1068055357.db2.gz SODYBEHFMPZUSR-SQJMNOBHSA-N 0 0 454.567 4.569 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(COC)c2)[C@@H]1c1ccccc1OC ZINC001462343826 1068055504 /nfs/dbraw/zinc/05/55/04/1068055504.db2.gz SODYBEHFMPZUSR-OFVILXPXSA-N 0 0 454.567 4.569 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)nn1-c1ccccc1Cl ZINC001462346808 1068056308 /nfs/dbraw/zinc/05/63/08/1068056308.db2.gz ARQOCOSXEZEHPO-XLIONFOSSA-N 0 0 458.990 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001462348104 1068056763 /nfs/dbraw/zinc/05/67/63/1068056763.db2.gz HAYPXEXNPXXFBG-FYYLOGMGSA-N 0 0 451.567 4.522 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2cc(C(C)=O)ccc2Br)cc1OC ZINC001462350141 1068056942 /nfs/dbraw/zinc/05/69/42/1068056942.db2.gz QXGBOEBAOLPWPJ-UHFFFAOYSA-N 0 0 457.118 4.684 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462350298 1068057028 /nfs/dbraw/zinc/05/70/28/1068057028.db2.gz RBTNFENSVZILNA-MJGOQNOKSA-N 0 0 451.405 4.548 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001546131030 1068057817 /nfs/dbraw/zinc/05/78/17/1068057817.db2.gz MYFCJWBSVPEEOD-UHFFFAOYSA-N 0 0 482.854 4.760 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CCCC1 ZINC001546131077 1068059244 /nfs/dbraw/zinc/05/92/44/1068059244.db2.gz OGHBGLNRIFZFDT-GOSISDBHSA-N 0 0 474.447 4.640 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CCOCC1 ZINC001546131094 1068059619 /nfs/dbraw/zinc/05/96/19/1068059619.db2.gz OMEQRZQBGGDSNQ-HZPDHXFCSA-N 0 0 483.476 4.837 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001462363364 1068060286 /nfs/dbraw/zinc/06/02/86/1068060286.db2.gz JHRAYYMLTZEBQY-NRFANRHFSA-N 0 0 452.551 4.717 20 0 JJADRN C[C@@H]1CC[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369059 1068061595 /nfs/dbraw/zinc/06/15/95/1068061595.db2.gz CPRPDHXSJQRFGH-ZJUUUORDSA-N 0 0 455.290 4.883 20 0 JJADRN CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(=O)NCCOC)CC2)CCC1 ZINC001546131154 1068061986 /nfs/dbraw/zinc/06/19/86/1068061986.db2.gz QREYATMBRAJMTF-UHFFFAOYSA-N 0 0 481.685 4.802 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC001462372065 1068062046 /nfs/dbraw/zinc/06/20/46/1068062046.db2.gz UJNNFKUTMMJUCV-BJKOFHAPSA-N 0 0 454.636 4.638 20 0 JJADRN COCCC1(NC(=O)[C@@H](C)Oc2cccc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372510 1068062059 /nfs/dbraw/zinc/06/20/59/1068062059.db2.gz KYJDNHJJFJSQMV-LJQANCHMSA-N 0 0 456.583 4.530 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H](C)C(=O)OC(C)(C)C)cs1)c1cccc(C(F)(F)F)c1 ZINC001462381967 1068063288 /nfs/dbraw/zinc/06/32/88/1068063288.db2.gz BZTYOMYWOKYELQ-CYBMUJFWSA-N 0 0 457.518 4.914 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(CN2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 ZINC001462383370 1068063394 /nfs/dbraw/zinc/06/33/94/1068063394.db2.gz NWDAHXXHKPQUQI-AWEZNQCLSA-N 0 0 457.785 4.909 20 0 JJADRN CC(=O)N(c1nc(CNC[C@H](C)C(=O)OC(C)(C)C)cs1)c1cccc(C(F)(F)F)c1 ZINC001462381970 1068063487 /nfs/dbraw/zinc/06/34/87/1068063487.db2.gz BZTYOMYWOKYELQ-ZDUSSCGKSA-N 0 0 457.518 4.914 20 0 JJADRN O=C(Nc1cccc2c1NC(=O)CO2)c1ccccc1OCc1cccc(Br)c1 ZINC001462386142 1068063688 /nfs/dbraw/zinc/06/36/88/1068063688.db2.gz ZOANFKJRLWTRSX-UHFFFAOYSA-N 0 0 453.292 4.611 20 0 JJADRN CCC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CCNC(=O)C(C)C)CCC1 ZINC001546131218 1068063735 /nfs/dbraw/zinc/06/37/35/1068063735.db2.gz SVCCMQVHGZNEHK-SFHVURJKSA-N 0 0 457.688 4.920 20 0 JJADRN COc1cc(Br)c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1O ZINC001462386306 1068063821 /nfs/dbraw/zinc/06/38/21/1068063821.db2.gz NKFXXASOMOSZSO-FMKPAKJESA-N 0 0 457.409 4.535 20 0 JJADRN O=C(Nc1cccc2c1NC(=O)CO2)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001462385265 1068064045 /nfs/dbraw/zinc/06/40/45/1068064045.db2.gz PFZAMCIGWJPZOT-UHFFFAOYSA-N 0 0 457.255 4.964 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001462387376 1068064293 /nfs/dbraw/zinc/06/42/93/1068064293.db2.gz KMRFALKFCZUJBR-KRWDZBQOSA-N 0 0 450.000 4.697 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001462388003 1068064308 /nfs/dbraw/zinc/06/43/08/1068064308.db2.gz MKVOFGODOMYQJV-WZONZLPQSA-N 0 0 454.567 4.919 20 0 JJADRN COC(=O)[C@@H]1CN(Cc2c(Cl)n(Cc3ccccc3)nc2C(C)C)c2ccc(F)cc2O1 ZINC001462389992 1068064791 /nfs/dbraw/zinc/06/47/91/1068064791.db2.gz GFURWZMGAJTIEJ-NRFANRHFSA-N 0 0 457.933 4.788 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)[C@H]1c1cccc(C)c1 ZINC001462396613 1068064985 /nfs/dbraw/zinc/06/49/85/1068064985.db2.gz MTGBKTUXSLMBBY-ZEQKJWHPSA-N 0 0 456.542 4.783 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1C(=O)c1ccccc1 ZINC001462394844 1068065223 /nfs/dbraw/zinc/06/52/23/1068065223.db2.gz JEKDTTSGHBVNJJ-CTNGQTDRSA-N 0 0 452.551 4.948 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)[C@@H]1c1cccc(C)c1 ZINC001462396610 1068065262 /nfs/dbraw/zinc/06/52/62/1068065262.db2.gz MTGBKTUXSLMBBY-OZXSUGGESA-N 0 0 456.542 4.783 20 0 JJADRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001462401270 1068066260 /nfs/dbraw/zinc/06/62/60/1068066260.db2.gz LTNSCUGYSIYUMT-UHFFFAOYSA-N 0 0 451.399 4.807 20 0 JJADRN CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cc1C(C)C ZINC001462400491 1068066275 /nfs/dbraw/zinc/06/62/75/1068066275.db2.gz IIULOEVLNCVSAE-UHFFFAOYSA-N 0 0 450.988 4.899 20 0 JJADRN CCCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)cc1C(C)C ZINC001462402257 1068066630 /nfs/dbraw/zinc/06/66/30/1068066630.db2.gz QGNOUCOQGPUWKO-JOCHJYFZSA-N 0 0 454.567 4.859 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001462401601 1068066674 /nfs/dbraw/zinc/06/66/74/1068066674.db2.gz ODMHDTPADIQSOS-UHFFFAOYSA-N 0 0 456.518 4.845 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)N[C@H]1c3ccccc3N(C(=O)OC(C)(C)C)C1(C)C)CO2 ZINC001462409161 1068067745 /nfs/dbraw/zinc/06/77/45/1068067745.db2.gz FAGHUMGWUFJVKD-JTSKRJEESA-N 0 0 452.551 4.638 20 0 JJADRN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(Br)sc2Br)cn1 ZINC001462411519 1068068597 /nfs/dbraw/zinc/06/85/97/1068068597.db2.gz NOFVUAIHHROVIZ-CLYYMRHHSA-N 0 0 459.207 4.557 20 0 JJADRN COc1cc(C(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc(OC)c1OC ZINC001462412027 1068069549 /nfs/dbraw/zinc/06/95/49/1068069549.db2.gz RZPFYNRSQBRCSV-NRFANRHFSA-N 0 0 456.539 4.717 20 0 JJADRN O=C([N-][C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001462423019 1068071134 /nfs/dbraw/zinc/07/11/34/1068071134.db2.gz BUJHLDAOZMWODR-ROUUACIJSA-N 0 0 455.839 4.657 20 0 JJADRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)nc1 ZINC001462424088 1068071709 /nfs/dbraw/zinc/07/17/09/1068071709.db2.gz NOSACQAEGPHWQY-UHFFFAOYSA-N 0 0 451.502 4.901 20 0 JJADRN Cc1cccc(OC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC001462426754 1068072345 /nfs/dbraw/zinc/07/23/45/1068072345.db2.gz XOZLJZLAWLHQOO-QGZVFWFLSA-N 0 0 452.267 4.852 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001462429321 1068072571 /nfs/dbraw/zinc/07/25/71/1068072571.db2.gz XEOSYHHPHDIYCN-IBGZPJMESA-N 0 0 456.942 4.606 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001462427797 1068072627 /nfs/dbraw/zinc/07/26/27/1068072627.db2.gz UKDJDFNHDMWNPU-LVCYWYKZSA-N 0 0 452.599 4.819 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@H]1c2ccccc2CC[C@H]1F ZINC001462430967 1068073050 /nfs/dbraw/zinc/07/30/50/1068073050.db2.gz YPXHTAUDMMYQTD-DYXWJJEUSA-N 0 0 452.448 4.766 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001462430448 1068073340 /nfs/dbraw/zinc/07/33/40/1068073340.db2.gz YTXIRYPKJAQGSA-KRWDZBQOSA-N 0 0 451.748 4.575 20 0 JJADRN CC(=O)c1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1 ZINC001462438626 1068073940 /nfs/dbraw/zinc/07/39/40/1068073940.db2.gz NBGGNIFBIVJKCS-UHFFFAOYSA-N 0 0 456.951 4.644 20 0 JJADRN O=C(c1ccc(I)c(Cl)c1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001462437895 1068074160 /nfs/dbraw/zinc/07/41/60/1068074160.db2.gz HIRIYWXDSHJXDY-OAHLLOKOSA-N 0 0 452.723 4.569 20 0 JJADRN Cc1c(C(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)nnn1CCOc1ccc(F)cc1 ZINC001462437285 1068074235 /nfs/dbraw/zinc/07/42/35/1068074235.db2.gz JOUAHZSHFNMYNP-SFHVURJKSA-N 0 0 457.811 4.918 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462442978 1068075284 /nfs/dbraw/zinc/07/52/84/1068075284.db2.gz QFYYGIADMAHQGV-MAUKXSAKSA-N 0 0 450.457 4.522 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001462451632 1068077629 /nfs/dbraw/zinc/07/76/29/1068077629.db2.gz LONSAZBYHDQUIS-RUZDIDTESA-N 0 0 452.913 4.688 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)c1cc(Br)ncc1Cl ZINC001462453968 1068077844 /nfs/dbraw/zinc/07/78/44/1068077844.db2.gz XQNNRJDHTMJLOB-UHFFFAOYSA-N 0 0 452.961 4.886 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3nc(C(C)C)ncc3OCc3ccccc3)CC2)cc1 ZINC001462465973 1068080345 /nfs/dbraw/zinc/08/03/45/1068080345.db2.gz HCTYPEHZPVMQKG-UHFFFAOYSA-N 0 0 458.606 4.699 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCc4cc(F)c(F)cc4C3)cc2)c1 ZINC001462470319 1068080893 /nfs/dbraw/zinc/08/08/93/1068080893.db2.gz YZGZZKAHNMHIDI-UHFFFAOYSA-N 0 0 457.498 4.548 20 0 JJADRN CCc1ccccc1Oc1ccc(Cl)cc1CN(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC001462471196 1068081364 /nfs/dbraw/zinc/08/13/64/1068081364.db2.gz QQGSZIKDPQXPHD-UHFFFAOYSA-N 0 0 454.958 4.595 20 0 JJADRN COC(=O)c1ccc(COc2ccc(CNc3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)cc2OC)o1 ZINC001462487268 1068083337 /nfs/dbraw/zinc/08/33/37/1068083337.db2.gz RGJDXJCFZKZEIZ-LEWJYISDSA-N 0 0 465.502 4.542 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)C[C@H]2CCCS(=O)(=O)C2)ccc1Cl ZINC001462490148 1068084300 /nfs/dbraw/zinc/08/43/00/1068084300.db2.gz XHEZWHKMCPNMPZ-OAHLLOKOSA-N 0 0 456.391 4.925 20 0 JJADRN C[C@@H]1CN(C(=O)COc2c(I)cc(Cl)c3cccnc32)C(C)(C)C1 ZINC001462490762 1068084525 /nfs/dbraw/zinc/08/45/25/1068084525.db2.gz NFEAWDSWFAITSI-NSHDSACASA-N 0 0 458.727 4.519 20 0 JJADRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC001462497336 1068085723 /nfs/dbraw/zinc/08/57/23/1068085723.db2.gz SXVQBPOSTBLGEQ-FQEVSTJZSA-N 0 0 453.302 4.917 20 0 JJADRN O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)c1cnc(C2OCCO2)s1 ZINC001462498782 1068086056 /nfs/dbraw/zinc/08/60/56/1068086056.db2.gz CFXQIUZCGSFVNF-UHFFFAOYSA-N 0 0 452.866 4.842 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1 ZINC001462501773 1068086766 /nfs/dbraw/zinc/08/67/66/1068086766.db2.gz RPIQFAMMBBNOHZ-DSITVLBTSA-N 0 0 480.605 4.606 20 0 JJADRN CCc1noc(COCC(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)n1 ZINC001462502844 1068086905 /nfs/dbraw/zinc/08/69/05/1068086905.db2.gz KUBUBKSTKRUQNH-UHFFFAOYSA-N 0 0 454.285 4.703 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001462509836 1068088061 /nfs/dbraw/zinc/08/80/61/1068088061.db2.gz ISXVPLOYJUPQLO-KRWDZBQOSA-N 0 0 455.327 4.801 20 0 JJADRN Cc1ccc(CC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1Br ZINC001462512476 1068088965 /nfs/dbraw/zinc/08/89/65/1068088965.db2.gz AVBSQORWBGYRAH-UHFFFAOYSA-N 0 0 453.421 4.986 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC001462514107 1068089053 /nfs/dbraw/zinc/08/90/53/1068089053.db2.gz DIUUIXHEIAYHFK-QFIPXVFZSA-N 0 0 453.583 4.822 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)c1ccc(Br)s1 ZINC001462512575 1068089084 /nfs/dbraw/zinc/08/90/84/1068089084.db2.gz YAOWQPQAVYFQRZ-UHFFFAOYSA-N 0 0 453.155 4.925 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519920 1068090577 /nfs/dbraw/zinc/09/05/77/1068090577.db2.gz PSHCCBAWGREZCA-JKSUJKDBSA-N 0 0 457.518 4.663 20 0 JJADRN Cc1cc(Oc2ccc(CN(C)C(=O)C[C@H]3CCCS(=O)(=O)C3)c(Cl)c2)ccc1F ZINC001462523942 1068090910 /nfs/dbraw/zinc/09/09/10/1068090910.db2.gz OAZKAEDFFKMMRC-MRXNPFEDSA-N 0 0 453.963 4.753 20 0 JJADRN COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc(Br)cc(Br)c1 ZINC001462525521 1068091412 /nfs/dbraw/zinc/09/14/12/1068091412.db2.gz AEKDITYCHVIEEO-HNNXBMFYSA-N 0 0 455.146 4.864 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001462524738 1068091645 /nfs/dbraw/zinc/09/16/45/1068091645.db2.gz VALDCEDNVQXWSR-AYOQOUSVSA-N 0 0 470.413 4.745 20 0 JJADRN COc1cccc2c1OCCC[C@H]2NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001462526720 1068092014 /nfs/dbraw/zinc/09/20/14/1068092014.db2.gz DMQLOJKEKBTOOA-RTWAWAEBSA-N 0 0 452.551 4.907 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546132265 1068092826 /nfs/dbraw/zinc/09/28/26/1068092826.db2.gz BNZDYTRWWDJXIA-KRWDZBQOSA-N 0 0 475.037 4.925 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)NCc3cc4cc(Br)ccc4o3)c(C)c12 ZINC001462535060 1068093122 /nfs/dbraw/zinc/09/31/22/1068093122.db2.gz NYRMCQSBNDQZPA-UHFFFAOYSA-N 0 0 455.356 4.651 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC001546132310 1068093820 /nfs/dbraw/zinc/09/38/20/1068093820.db2.gz DHLDIHQDMXSJOQ-KRWDZBQOSA-N 0 0 456.509 4.601 20 0 JJADRN Clc1ccc(Cl)c(Oc2cc(Cl)ccc2CN2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001462545689 1068095449 /nfs/dbraw/zinc/09/54/49/1068095449.db2.gz JERWWFKEHCLPNU-UHFFFAOYSA-N 0 0 452.773 4.875 20 0 JJADRN COc1cccc2[nH]c(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)nc21 ZINC001462547532 1068096034 /nfs/dbraw/zinc/09/60/34/1068096034.db2.gz CDGAIAHADQENEX-UHFFFAOYSA-N 0 0 452.580 4.612 20 0 JJADRN COc1ccc(C2=NO[C@H](CNCc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1F ZINC001462550450 1068096765 /nfs/dbraw/zinc/09/67/65/1068096765.db2.gz VINGDEHFMJWLLS-INIZCTEOSA-N 0 0 459.953 4.579 20 0 JJADRN CCOC(=O)[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C(F)(F)F ZINC001462552846 1068097214 /nfs/dbraw/zinc/09/72/14/1068097214.db2.gz BFAWABOIGOYDGM-HUUCEWRRSA-N 0 0 463.319 4.746 20 0 JJADRN CC(=O)N(c1nc(CNC[C@H](O)Cc2cccc(Cl)c2)cs1)c1cccc(Cl)c1 ZINC001462554480 1068097355 /nfs/dbraw/zinc/09/73/55/1068097355.db2.gz NRPFAFBHTRYIEB-HXUWFJFHSA-N 0 0 450.391 4.828 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CCCC1 ZINC001546132418 1068097903 /nfs/dbraw/zinc/09/79/03/1068097903.db2.gz HZLTVFCRTZPGFO-BGYRXZFFSA-N 0 0 477.447 4.836 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)CCCc1ccc(C)s1)C(C)C ZINC001462556784 1068098159 /nfs/dbraw/zinc/09/81/59/1068098159.db2.gz WKMCGBIEAJEVRG-MRXNPFEDSA-N 0 0 450.626 4.800 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc2c1O[C@@H](C)C2 ZINC001462565589 1068099411 /nfs/dbraw/zinc/09/94/11/1068099411.db2.gz KSEIVIDYOBYCHZ-DLBZAZTESA-N 0 0 452.551 4.677 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001462567277 1068099486 /nfs/dbraw/zinc/09/94/86/1068099486.db2.gz TXKHAHHEKIQPBN-UHFFFAOYSA-N 0 0 456.258 4.633 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)cc2OC)CCOCC1 ZINC001546132526 1068100653 /nfs/dbraw/zinc/10/06/53/1068100653.db2.gz LOMZASNXZTXLAR-UHFFFAOYSA-N 0 0 454.571 4.707 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)ncc1Br)c1ccc(C(F)(F)F)nc1 ZINC001462577348 1068102374 /nfs/dbraw/zinc/10/23/74/1068102374.db2.gz BZZJJDLCAZWXGB-SSDOTTSWSA-N 0 0 453.056 4.511 20 0 JJADRN CCOC(=O)N1CCC(C(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC001462584900 1068104368 /nfs/dbraw/zinc/10/43/68/1068104368.db2.gz APZSACZOWDNMLU-OAQYLSRUSA-N 0 0 459.384 4.865 20 0 JJADRN CC1(C)CCc2cc(Br)ccc2N1C(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC001462585010 1068104513 /nfs/dbraw/zinc/10/45/13/1068104513.db2.gz BZFIHNAAQBLNRN-UHFFFAOYSA-N 0 0 450.398 4.543 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(C(F)(F)F)nc1 ZINC001462585494 1068105161 /nfs/dbraw/zinc/10/51/61/1068105161.db2.gz CYMFILSKOXNLFY-ZETCQYMHSA-N 0 0 453.056 4.511 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)CCSc2ccnc3cc(Cl)ccc32)C[C@H]1C(F)(F)F ZINC001462587756 1068105235 /nfs/dbraw/zinc/10/52/35/1068105235.db2.gz GECFDGBQQAOQTK-HUUCEWRRSA-N 0 0 460.905 4.570 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)N3c4ccc(Br)cc4CCC3(C)C)cn2)C[C@H](C)O1 ZINC001462585972 1068105314 /nfs/dbraw/zinc/10/53/14/1068105314.db2.gz FQZZDTQNWUUEES-HOTGVXAUSA-N 0 0 458.400 4.829 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@H]1C(F)(F)F ZINC001462591863 1068106956 /nfs/dbraw/zinc/10/69/56/1068106956.db2.gz WRZUULVXLYXLBM-GDBMZVCRSA-N 0 0 471.907 4.772 20 0 JJADRN Cc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1-c1ccsc1 ZINC001462591743 1068107072 /nfs/dbraw/zinc/10/70/72/1068107072.db2.gz ZLLDUALQVUITMA-UHFFFAOYSA-N 0 0 454.349 4.835 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CCC1 ZINC001546132696 1068108273 /nfs/dbraw/zinc/10/82/73/1068108273.db2.gz QMHJTUXDWWSZOJ-NRFANRHFSA-N 0 0 483.657 4.626 20 0 JJADRN COC(=O)c1cc2cccnc2c(NCc2cc(Cl)ccc2I)c1 ZINC001462604462 1068110145 /nfs/dbraw/zinc/11/01/45/1068110145.db2.gz QCLQKIMNSAEBNP-UHFFFAOYSA-N 0 0 452.679 4.892 20 0 JJADRN C[C@H](NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)c1cccc(OC(F)(F)F)c1 ZINC001462607202 1068110747 /nfs/dbraw/zinc/11/07/47/1068110747.db2.gz CPSCUMPXKDEWRV-ZDUSSCGKSA-N 0 0 456.465 4.741 20 0 JJADRN C[C@]1(C(F)(F)F)CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 ZINC001462606137 1068110837 /nfs/dbraw/zinc/11/08/37/1068110837.db2.gz NCSCZCBJEPILAJ-IBGZPJMESA-N 0 0 456.306 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCc3cccc(OC(C)(C)C)c3)o2)CC1 ZINC001462606237 1068110938 /nfs/dbraw/zinc/11/09/38/1068110938.db2.gz FROGZKATUDHMBG-UHFFFAOYSA-N 0 0 457.571 4.896 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C(=O)C(C)C)CC2)CCOCC1 ZINC001546132808 1068112183 /nfs/dbraw/zinc/11/21/83/1068112183.db2.gz VXBKTBSKNIHYIM-UHFFFAOYSA-N 0 0 494.467 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCCc3ccccc3Br)CCC[C@@H]12 ZINC001462620402 1068113785 /nfs/dbraw/zinc/11/37/85/1068113785.db2.gz APMVZXUNKYDDGU-XMSQKQJNSA-N 0 0 451.405 4.820 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1Br ZINC001462622322 1068115034 /nfs/dbraw/zinc/11/50/34/1068115034.db2.gz CDWOVGNQBNYJMM-BIENJYKASA-N 0 0 475.399 4.615 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001462624653 1068115447 /nfs/dbraw/zinc/11/54/47/1068115447.db2.gz CBMNIIOADOXRCU-UHFFFAOYSA-N 0 0 454.615 4.827 20 0 JJADRN CN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C1(Cc2ccccc2)CCCC1 ZINC001462624358 1068115790 /nfs/dbraw/zinc/11/57/90/1068115790.db2.gz KDBFKFSQCBNVRL-UHFFFAOYSA-N 0 0 454.636 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC001462629149 1068117448 /nfs/dbraw/zinc/11/74/48/1068117448.db2.gz VAJPLLKFOJATIO-OAQYLSRUSA-N 0 0 456.562 4.701 20 0 JJADRN COc1ccc(Br)c(CC(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)c1 ZINC001462629902 1068117571 /nfs/dbraw/zinc/11/75/71/1068117571.db2.gz YPLBMPZPSDLWDI-UHFFFAOYSA-N 0 0 457.409 4.544 20 0 JJADRN Cn1ncc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1C(F)F ZINC001462632384 1068118257 /nfs/dbraw/zinc/11/82/57/1068118257.db2.gz ACTHRDYPFQTSLZ-MAUKXSAKSA-N 0 0 454.562 4.684 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)cn2)C[C@H](C)O1 ZINC001462632179 1068118316 /nfs/dbraw/zinc/11/83/16/1068118316.db2.gz YNEZTKXGCVJUII-KBPBESRZSA-N 0 0 453.892 4.960 20 0 JJADRN Cc1nc(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c2ccccn12 ZINC001462633491 1068119580 /nfs/dbraw/zinc/11/95/80/1068119580.db2.gz GMEGWEJAIXRMHQ-TZIWHRDSSA-N 0 0 454.615 4.969 20 0 JJADRN CC[C@H]1[C@H](C(=O)NCC2(c3ccc(Br)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001462635012 1068119610 /nfs/dbraw/zinc/11/96/10/1068119610.db2.gz RLWDZMXKMVKFSA-MSOLQXFVSA-N 0 0 451.405 4.633 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1)C1CCCC1 ZINC001462635793 1068120190 /nfs/dbraw/zinc/12/01/90/1068120190.db2.gz QVNHPCPWIUOYBO-PGRDOPGGSA-N 0 0 456.631 4.982 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001462636511 1068120209 /nfs/dbraw/zinc/12/02/09/1068120209.db2.gz VJVNISYXIFOVGD-PGRDOPGGSA-N 0 0 458.599 4.799 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1Br)NCc1cc(Cl)ccc1OCC1CC1 ZINC001462636564 1068120212 /nfs/dbraw/zinc/12/02/12/1068120212.db2.gz SALDWGNOUGQUAW-IBGZPJMESA-N 0 0 452.776 4.765 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462643425 1068122537 /nfs/dbraw/zinc/12/25/37/1068122537.db2.gz HYTZPUNHPYVPSP-NFBKMPQASA-N 0 0 452.457 4.569 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1c(C)onc1-c1cccc(Br)c1)CC2 ZINC001462647992 1068123744 /nfs/dbraw/zinc/12/37/44/1068123744.db2.gz SDZVIWBZPSNUAU-UHFFFAOYSA-N 0 0 454.324 4.569 20 0 JJADRN Cc1ccc(N(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462651795 1068124460 /nfs/dbraw/zinc/12/44/60/1068124460.db2.gz ULBFTWJOQHOZNT-PTLVVNQVSA-N 0 0 454.998 4.640 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C[C@H]1C(F)(F)F ZINC001462654270 1068125267 /nfs/dbraw/zinc/12/52/67/1068125267.db2.gz FDXJGVPDJJCUCS-HZPDHXFCSA-N 0 0 465.497 4.517 20 0 JJADRN CC(=O)N(c1nc(CN[C@H]2CCCCC23OCCO3)cs1)c1cccc(C(F)(F)F)c1 ZINC001462660542 1068126489 /nfs/dbraw/zinc/12/64/89/1068126489.db2.gz CGSVRIBMFXFFKQ-SFHVURJKSA-N 0 0 455.502 4.622 20 0 JJADRN Cc1cc([C@H](CC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462658172 1068126514 /nfs/dbraw/zinc/12/65/14/1068126514.db2.gz FCLKGDWGUWGHIJ-BEFAXECRSA-N 0 0 459.974 4.639 20 0 JJADRN O=C(NCCc1cnc2ccccc2c1)c1c(Cl)ccc(I)c1F ZINC001462663778 1068127195 /nfs/dbraw/zinc/12/71/95/1068127195.db2.gz OMZBOWKYRYXMBL-UHFFFAOYSA-N 0 0 454.670 4.604 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCCc2cnc3ccccc3c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001462666106 1068127211 /nfs/dbraw/zinc/12/72/11/1068127211.db2.gz XZFWOPNNKDWSBD-NZQKXSOJSA-N 0 0 455.480 4.522 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCC2(c3cccc(F)c3)CCC2)c1 ZINC001462665737 1068127236 /nfs/dbraw/zinc/12/72/36/1068127236.db2.gz SIOVRKKOHKZWKU-UHFFFAOYSA-N 0 0 458.599 4.631 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC001462662506 1068127281 /nfs/dbraw/zinc/12/72/81/1068127281.db2.gz DRKGQYQQSQIXSX-UHFFFAOYSA-N 0 0 453.384 4.591 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1 ZINC001462677730 1068129175 /nfs/dbraw/zinc/12/91/75/1068129175.db2.gz ORPAQLXFOSBVPA-YCSHWKNNSA-N 0 0 450.579 4.598 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1cc(Cl)cc(Cl)c1F ZINC001462679743 1068129863 /nfs/dbraw/zinc/12/98/63/1068129863.db2.gz RBTWHYQLNBAEPJ-GJZGRUSLSA-N 0 0 453.341 4.627 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)Cc1csc3ccc(Cl)cc13)O2 ZINC001462681221 1068130549 /nfs/dbraw/zinc/13/05/49/1068130549.db2.gz WYIANNVXFWHOFQ-WBWVDOBWSA-N 0 0 450.000 4.883 20 0 JJADRN COc1cc(C2(C(=O)NC[C@H]3CCC4(CC(C(=O)OC(C)(C)C)C4)O3)CCCC2)ccc1C ZINC001462682433 1068130562 /nfs/dbraw/zinc/13/05/62/1068130562.db2.gz ZREDFUFGJDFHSL-ACTUWPOZSA-N 0 0 457.611 4.601 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462681804 1068130627 /nfs/dbraw/zinc/13/06/27/1068130627.db2.gz YNKWAHXMFHWTLC-SRKHWBKYSA-N 0 0 455.517 4.670 20 0 JJADRN COc1cc(Br)cc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c1 ZINC001462685871 1068131321 /nfs/dbraw/zinc/13/13/21/1068131321.db2.gz FEFKMYAJFIGWAF-PGRDOPGGSA-N 0 0 467.404 4.644 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(I)s2)CC1 ZINC001462691639 1068132809 /nfs/dbraw/zinc/13/28/09/1068132809.db2.gz UMAUEAUNNICUSL-UHFFFAOYSA-N 0 0 450.386 4.574 20 0 JJADRN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Br)sc1Br ZINC001462692512 1068133307 /nfs/dbraw/zinc/13/33/07/1068133307.db2.gz ZKJXZTJRIDGUCF-XPUUQOCRSA-N 0 0 451.102 4.503 20 0 JJADRN O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1c(Cl)nc2ccc(Br)cn21 ZINC001462695869 1068134188 /nfs/dbraw/zinc/13/41/88/1068134188.db2.gz QHGBMSOGMBEWNN-UHFFFAOYSA-N 0 0 455.639 4.537 20 0 JJADRN O=S(=O)(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2onc(C3CC3)c2c1 ZINC001462696935 1068134741 /nfs/dbraw/zinc/13/47/41/1068134741.db2.gz PLFSSNAEKHBBKS-UHFFFAOYSA-N 0 0 452.332 4.906 20 0 JJADRN CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC001462700215 1068135214 /nfs/dbraw/zinc/13/52/14/1068135214.db2.gz NODFKRLMXXFPFG-UHFFFAOYSA-N 0 0 456.614 4.791 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC001462702050 1068135747 /nfs/dbraw/zinc/13/57/47/1068135747.db2.gz SUVTUGJQJNKNQX-UHFFFAOYSA-N 0 0 453.532 4.792 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)NCc3cc(Br)c4ccccc4c3)c2)o1 ZINC001462703918 1068136503 /nfs/dbraw/zinc/13/65/03/1068136503.db2.gz CCVQNPUYCWRNMT-UHFFFAOYSA-N 0 0 452.308 4.729 20 0 JJADRN O=S(=O)(C[C@H]1CCC[C@H](C(F)(F)F)O1)Oc1ccc2cc(Br)ccc2c1 ZINC001462702846 1068136592 /nfs/dbraw/zinc/13/65/92/1068136592.db2.gz ZKHKJIURBCRNRP-HZPDHXFCSA-N 0 0 453.276 4.811 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)c1cc(F)c(Cl)cc1Cl ZINC001462704957 1068136980 /nfs/dbraw/zinc/13/69/80/1068136980.db2.gz CTTQAEGECDLBCE-SNVBAGLBSA-N 0 0 453.322 4.915 20 0 JJADRN Cc1ccc(Oc2cc(Cl)ccc2CN(C)C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c(C)c1 ZINC001462706053 1068137736 /nfs/dbraw/zinc/13/77/36/1068137736.db2.gz DKHXVOLQNGQBPR-QHCPKHFHSA-N 0 0 452.942 4.634 20 0 JJADRN C[C@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC001462707955 1068138260 /nfs/dbraw/zinc/13/82/60/1068138260.db2.gz IGOVHZAKPYMDAT-JTQLQIEISA-N 0 0 452.782 4.765 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1F ZINC001462709770 1068138917 /nfs/dbraw/zinc/13/89/17/1068138917.db2.gz XVQPIXQYGRSGLO-UHFFFAOYSA-N 0 0 452.595 4.847 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001462712380 1068139334 /nfs/dbraw/zinc/13/93/34/1068139334.db2.gz HXQXBHATBVOMDB-SJORKVTESA-N 0 0 452.339 4.939 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC001462713657 1068140082 /nfs/dbraw/zinc/14/00/82/1068140082.db2.gz LZCPGFYPSUVMKA-DEOSSOPVSA-N 0 0 459.498 4.813 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2ccc(Br)cc2F)cc1)c1cccs1 ZINC001462714363 1068140165 /nfs/dbraw/zinc/14/01/65/1068140165.db2.gz HVDRWKNVTHZPFE-UHFFFAOYSA-N 0 0 456.314 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(OC3CCCC3)c2)CC2(CCOCC2)C1 ZINC001462717569 1068140510 /nfs/dbraw/zinc/14/05/10/1068140510.db2.gz AHHIGRRGXULDAP-HXUWFJFHSA-N 0 0 458.599 4.544 20 0 JJADRN Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1C(=O)OC(C)C ZINC001462715629 1068140602 /nfs/dbraw/zinc/14/06/02/1068140602.db2.gz OUARTUPCSWTEBD-UHFFFAOYSA-N 0 0 453.516 4.580 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)c2ccccc12 ZINC001462723167 1068142642 /nfs/dbraw/zinc/14/26/42/1068142642.db2.gz BHPSPBJKXKXKGA-UHFFFAOYSA-N 0 0 451.491 4.669 20 0 JJADRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462723411 1068142724 /nfs/dbraw/zinc/14/27/24/1068142724.db2.gz OZYMETJTOCVGEY-NJYVYQBISA-N 0 0 456.627 4.898 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CC2)c1 ZINC001462722343 1068142807 /nfs/dbraw/zinc/14/28/07/1068142807.db2.gz NLZPLKXYVQPWOR-UHFFFAOYSA-N 0 0 454.958 4.834 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)COc1ccc2oc3ccccc3c2c1 ZINC001462723305 1068142868 /nfs/dbraw/zinc/14/28/68/1068142868.db2.gz MLLIOCLTWBHFOE-QZTJIDSGSA-N 0 0 452.551 4.974 20 0 JJADRN COc1ccc(C2(C(=O)Nc3cc(C(=O)NCC(C)(C)C)ccc3Cl)CCOCC2)cc1 ZINC001462723568 1068142879 /nfs/dbraw/zinc/14/28/79/1068142879.db2.gz RHHCXZXWWXOJMO-UHFFFAOYSA-N 0 0 458.986 4.811 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001462724409 1068143381 /nfs/dbraw/zinc/14/33/81/1068143381.db2.gz RIRRMQLPCLAPHB-NBGIEHNGSA-N 0 0 454.636 4.820 20 0 JJADRN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@H]1c1ccccc1 ZINC001462724428 1068143443 /nfs/dbraw/zinc/14/34/43/1068143443.db2.gz RMONYXIGGDPYRI-VGOFRKELSA-N 0 0 455.396 4.911 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001462724405 1068143525 /nfs/dbraw/zinc/14/35/25/1068143525.db2.gz RIRRMQLPCLAPHB-CPJSRVTESA-N 0 0 454.636 4.820 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2s1 ZINC001462725026 1068143859 /nfs/dbraw/zinc/14/38/59/1068143859.db2.gz VLEDQHFSUKOFJZ-HUUCEWRRSA-N 0 0 466.673 4.827 20 0 JJADRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001462726121 1068143907 /nfs/dbraw/zinc/14/39/07/1068143907.db2.gz UNJPDHVOBLMYPA-CVDCTZTESA-N 0 0 452.526 4.524 20 0 JJADRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC001462727462 1068145225 /nfs/dbraw/zinc/14/52/25/1068145225.db2.gz CLTYLKCFNTYRBZ-UHFFFAOYSA-N 0 0 456.530 4.831 20 0 JJADRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(N(C)C)nc1 ZINC001462729171 1068145946 /nfs/dbraw/zinc/14/59/46/1068145946.db2.gz MUCPZQRGGXTXGI-INIZCTEOSA-N 0 0 450.029 4.685 20 0 JJADRN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001462733017 1068147164 /nfs/dbraw/zinc/14/71/64/1068147164.db2.gz SMPTWVSEDVTPLT-IBGZPJMESA-N 0 0 459.837 4.772 20 0 JJADRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001462732801 1068147243 /nfs/dbraw/zinc/14/72/43/1068147243.db2.gz VTJSYKLRRMVPDA-MRXNPFEDSA-N 0 0 450.029 4.830 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001462735887 1068148303 /nfs/dbraw/zinc/14/83/03/1068148303.db2.gz QKRPCUYAXPCGPE-ZDUSSCGKSA-N 0 0 455.395 4.700 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)c(C)c1 ZINC001462736173 1068148373 /nfs/dbraw/zinc/14/83/73/1068148373.db2.gz WXWOPTMLWKYQJE-LJQANCHMSA-N 0 0 452.576 4.914 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1C ZINC001462736522 1068148931 /nfs/dbraw/zinc/14/89/31/1068148931.db2.gz ZBKAMUCSCOYVQS-UHFFFAOYSA-N 0 0 459.395 4.658 20 0 JJADRN CC(C)Cc1ccc([C@@H](NS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462737537 1068148939 /nfs/dbraw/zinc/14/89/39/1068148939.db2.gz CUOKQRJLXNUILU-DEOSSOPVSA-N 0 0 458.624 4.523 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1Br ZINC001462737704 1068149365 /nfs/dbraw/zinc/14/93/65/1068149365.db2.gz CEDFVVQMNOKUFQ-UHFFFAOYSA-N 0 0 456.402 4.503 20 0 JJADRN Cc1cc(SCC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)c(C)cc1Br ZINC001462738831 1068149410 /nfs/dbraw/zinc/14/94/10/1068149410.db2.gz ZBHOPJKPPDIZLQ-KRWDZBQOSA-N 0 0 456.446 4.640 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1Br)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001462738973 1068149449 /nfs/dbraw/zinc/14/94/49/1068149449.db2.gz PSQGFHLQRNVDES-CYBMUJFWSA-N 0 0 450.807 4.534 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC001462740135 1068150120 /nfs/dbraw/zinc/15/01/20/1068150120.db2.gz NBRPVCJIDVBFAE-OYHNWAKOSA-N 0 0 467.363 4.835 20 0 JJADRN O=S(=O)(NCCOc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Br ZINC001462741477 1068151236 /nfs/dbraw/zinc/15/12/36/1068151236.db2.gz MUPCEKSWZFESSR-UHFFFAOYSA-N 0 0 459.576 4.767 20 0 JJADRN CCCCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC001462741527 1068151251 /nfs/dbraw/zinc/15/12/51/1068151251.db2.gz UFKPAEBYAKQZSR-UHFFFAOYSA-N 0 0 454.592 4.895 20 0 JJADRN O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001462743265 1068151840 /nfs/dbraw/zinc/15/18/40/1068151840.db2.gz XWFZJVXCJCUTQA-UHFFFAOYSA-N 0 0 455.942 4.951 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c2cccc(F)c2)cc1 ZINC001462744823 1068153091 /nfs/dbraw/zinc/15/30/91/1068153091.db2.gz OXIVOCCMBBVBSF-QHCPKHFHSA-N 0 0 452.551 4.686 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462746522 1068153185 /nfs/dbraw/zinc/15/31/85/1068153185.db2.gz SQPVKEXGGRVRCP-ISKFKSNPSA-N 0 0 458.624 4.524 20 0 JJADRN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Br)ccc(OC)c2F)cc1 ZINC001462747715 1068153809 /nfs/dbraw/zinc/15/38/09/1068153809.db2.gz QWIACCGQCCKNHC-MRXNPFEDSA-N 0 0 458.349 4.521 20 0 JJADRN CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CCC1 ZINC001462756927 1068157025 /nfs/dbraw/zinc/15/70/25/1068157025.db2.gz LRRLQZDFGMAJPC-UHFFFAOYSA-N 0 0 452.979 4.517 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Br)cc1Cl ZINC001462760915 1068158291 /nfs/dbraw/zinc/15/82/91/1068158291.db2.gz ATIJXAQUXKFWPY-NVXWUHKLSA-N 0 0 461.709 4.895 20 0 JJADRN O=C(NCCc1ccc2ncccc2c1)c1c(Cl)ccc(I)c1F ZINC001462763317 1068159597 /nfs/dbraw/zinc/15/95/97/1068159597.db2.gz NKAPTYAEIGPDQM-UHFFFAOYSA-N 0 0 454.670 4.604 20 0 JJADRN CCC[C@H](C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)c1ccc(Cl)cc1 ZINC001462765912 1068160203 /nfs/dbraw/zinc/16/02/03/1068160203.db2.gz OXDQVJHNUNJAPN-OAWZGRKZSA-N 0 0 479.017 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)[C@H](OC2CCCC2)c2ccccc2)C1 ZINC001462769130 1068161201 /nfs/dbraw/zinc/16/12/01/1068161201.db2.gz UVKCNLATDDSFFM-AZUAARDMSA-N 0 0 452.542 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)C1 ZINC001462769138 1068161316 /nfs/dbraw/zinc/16/13/16/1068161316.db2.gz UVKCNLATDDSFFM-QUCCMNQESA-N 0 0 452.542 4.695 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccccc1OC(F)F ZINC001462770252 1068162370 /nfs/dbraw/zinc/16/23/70/1068162370.db2.gz APQBUWUSWLHEKZ-JTQLQIEISA-N 0 0 454.720 4.885 20 0 JJADRN C[C@@H]1CN(C(=O)c2nccc3c(Br)cccc32)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462772757 1068163603 /nfs/dbraw/zinc/16/36/03/1068163603.db2.gz DCIXWEWSCTXNFU-HUUCEWRRSA-N 0 0 462.388 4.620 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2)ccn1 ZINC001462774354 1068163656 /nfs/dbraw/zinc/16/36/56/1068163656.db2.gz ATVFKBLKNWPFIO-DEOSSOPVSA-N 0 0 457.486 4.563 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nc2ccccc2n1C(F)F ZINC001462774074 1068163702 /nfs/dbraw/zinc/16/37/02/1068163702.db2.gz AVFRUNUBAXBVQW-VIFPVBQESA-N 0 0 453.364 4.509 20 0 JJADRN O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001462775649 1068164386 /nfs/dbraw/zinc/16/43/86/1068164386.db2.gz GSALVVTWFQMBIH-FQEVSTJZSA-N 0 0 450.391 4.735 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cs1 ZINC001462776813 1068164771 /nfs/dbraw/zinc/16/47/71/1068164771.db2.gz KITRILHRKYYINY-UHFFFAOYSA-N 0 0 459.902 4.937 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccccc1C(F)(F)F ZINC001462775909 1068164833 /nfs/dbraw/zinc/16/48/33/1068164833.db2.gz HULICEALONYUOG-UHFFFAOYSA-N 0 0 452.292 4.687 20 0 JJADRN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001462779278 1068165845 /nfs/dbraw/zinc/16/58/45/1068165845.db2.gz QURFYUFUCNSUGE-HXUWFJFHSA-N 0 0 450.391 4.735 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N(C)[C@H](c3ccccc3)c3ccc(F)cc3)cc2F)c1 ZINC001462779008 1068165854 /nfs/dbraw/zinc/16/58/54/1068165854.db2.gz UZWYTWVLPQEWDP-XMMPIXPASA-N 0 0 453.514 4.869 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N(C)[C@@H](c3ccccc3)c3ccc(F)cc3)cc2F)c1 ZINC001462778995 1068165878 /nfs/dbraw/zinc/16/58/78/1068165878.db2.gz UZWYTWVLPQEWDP-DEOSSOPVSA-N 0 0 453.514 4.869 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2)CCC1)c1cc(Br)ccc1Br ZINC001462780252 1068166416 /nfs/dbraw/zinc/16/64/16/1068166416.db2.gz VXFOVLPSVYYFRM-UHFFFAOYSA-N 0 0 459.203 4.612 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001462781143 1068166561 /nfs/dbraw/zinc/16/65/61/1068166561.db2.gz GSRGIOHKNZZUBV-UHFFFAOYSA-N 0 0 453.896 4.912 20 0 JJADRN CCOc1ccc(CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2cnc(C)s2)cc1 ZINC001462782886 1068166968 /nfs/dbraw/zinc/16/69/68/1068166968.db2.gz QHXGWXKBZZVYRB-UHFFFAOYSA-N 0 0 452.985 4.908 20 0 JJADRN CSC1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCCCC1 ZINC001462788206 1068167470 /nfs/dbraw/zinc/16/74/70/1068167470.db2.gz AHLWYPZQXLKZCE-AZUAARDMSA-N 0 0 450.645 4.667 20 0 JJADRN CCC1(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546133922 1068167500 /nfs/dbraw/zinc/16/75/00/1068167500.db2.gz FJAYJPBRNVLWLQ-LJQANCHMSA-N 0 0 469.655 4.723 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462787586 1068167510 /nfs/dbraw/zinc/16/75/10/1068167510.db2.gz FNGFQHNIWOCAQG-QFIPXVFZSA-N 0 0 452.482 4.888 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462787583 1068167536 /nfs/dbraw/zinc/16/75/36/1068167536.db2.gz FNGFQHNIWOCAQG-JOCHJYFZSA-N 0 0 452.482 4.888 20 0 JJADRN Cn1cc([C@H]2[C@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001462791228 1068168458 /nfs/dbraw/zinc/16/84/58/1068168458.db2.gz AMXCDSWWFKLNCR-XXBNENTESA-N 0 0 450.514 4.678 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001462790661 1068168558 /nfs/dbraw/zinc/16/85/58/1068168558.db2.gz DYCAPVRIGUUETN-RDPSFJRHSA-N 0 0 455.551 4.503 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2F)c1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC001462792706 1068168960 /nfs/dbraw/zinc/16/89/60/1068168960.db2.gz FXHUWXJJEDTCKL-UHFFFAOYSA-N 0 0 455.507 4.580 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(F)cc1F ZINC001462792958 1068169038 /nfs/dbraw/zinc/16/90/38/1068169038.db2.gz VEXRLQVEQDGYSG-JOCHJYFZSA-N 0 0 452.457 4.641 20 0 JJADRN CS(=O)(=O)C1CCC(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC001462795462 1068169606 /nfs/dbraw/zinc/16/96/06/1068169606.db2.gz TYASTOLLSSUAES-ZYKWQNGHSA-N 0 0 453.576 4.518 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(OC(C)(C)C)CC2)CCOCC1 ZINC001546134140 1068170082 /nfs/dbraw/zinc/17/00/82/1068170082.db2.gz NFCBCPJPSOWMRN-UHFFFAOYSA-N 0 0 456.631 4.944 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC001462795492 1068170169 /nfs/dbraw/zinc/17/01/69/1068170169.db2.gz ULOVRIKQXHYUGO-VBYJPNHASA-N 0 0 451.441 4.806 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462798743 1068170618 /nfs/dbraw/zinc/17/06/18/1068170618.db2.gz YPXLYAMCPWYGMG-AEFFLSMTSA-N 0 0 451.894 4.862 20 0 JJADRN O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(Oc2ccccc2F)c1 ZINC001462798353 1068170685 /nfs/dbraw/zinc/17/06/85/1068170685.db2.gz QSSUMCJXIBOCTL-UHFFFAOYSA-N 0 0 454.523 4.729 20 0 JJADRN COc1cc(CNS(=O)(=O)c2cc(C(C)=O)ccc2Cl)ccc1OCc1ccccc1 ZINC001462797522 1068170697 /nfs/dbraw/zinc/17/06/97/1068170697.db2.gz RFLHHZWVWCKESK-UHFFFAOYSA-N 0 0 459.951 4.609 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1F ZINC001462802826 1068171775 /nfs/dbraw/zinc/17/17/75/1068171775.db2.gz CNIXACVUXKBBAE-QFIPXVFZSA-N 0 0 452.457 4.641 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC001462806196 1068172241 /nfs/dbraw/zinc/17/22/41/1068172241.db2.gz NEYDVLRRDXEBAA-UHFFFAOYSA-N 0 0 459.608 4.817 20 0 JJADRN O=S(=O)(c1scc(Br)c1Br)N(Cc1cccs1)C1CC1 ZINC001462809660 1068172854 /nfs/dbraw/zinc/17/28/54/1068172854.db2.gz RXJLNWCHAZDRDB-UHFFFAOYSA-N 0 0 457.234 4.688 20 0 JJADRN Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)s1 ZINC001462809077 1068172907 /nfs/dbraw/zinc/17/29/07/1068172907.db2.gz TZWGBAQEPUZLDS-UHFFFAOYSA-N 0 0 459.365 4.678 20 0 JJADRN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc(Br)ccc1Br ZINC001462812941 1068173962 /nfs/dbraw/zinc/17/39/62/1068173962.db2.gz GGESRCHCYLCSKK-INIZCTEOSA-N 0 0 452.146 4.805 20 0 JJADRN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)c1ccc(I)cc1Cl ZINC001462814215 1068174361 /nfs/dbraw/zinc/17/43/61/1068174361.db2.gz KGBMGAPHNRVENB-MRXNPFEDSA-N 0 0 454.695 4.538 20 0 JJADRN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1ccc(I)cc1Cl ZINC001462814207 1068174476 /nfs/dbraw/zinc/17/44/76/1068174476.db2.gz KGBMGAPHNRVENB-INIZCTEOSA-N 0 0 454.695 4.538 20 0 JJADRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC001462814843 1068175015 /nfs/dbraw/zinc/17/50/15/1068175015.db2.gz GZLWOTXUPDDIAC-IBGZPJMESA-N 0 0 453.608 4.546 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1Br ZINC001462815539 1068175033 /nfs/dbraw/zinc/17/50/33/1068175033.db2.gz LNGFAQWTEZIISM-IBGZPJMESA-N 0 0 456.402 4.540 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@@H]4CCCC(=O)N4)c3)s2)cc1OC ZINC001462815149 1068175090 /nfs/dbraw/zinc/17/50/90/1068175090.db2.gz LVJXTWZACNLJNC-SFHVURJKSA-N 0 0 451.548 4.729 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001462817412 1068175762 /nfs/dbraw/zinc/17/57/62/1068175762.db2.gz OAYZIUFGKTYSAP-INIZCTEOSA-N 0 0 459.420 4.897 20 0 JJADRN Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462821423 1068176794 /nfs/dbraw/zinc/17/67/94/1068176794.db2.gz DPBRCAWDSPLSSE-HZPDHXFCSA-N 0 0 453.461 4.568 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)sc2c1 ZINC001462822376 1068176832 /nfs/dbraw/zinc/17/68/32/1068176832.db2.gz GKMZDMUOOWMBLU-CABCVRRESA-N 0 0 458.502 4.828 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC001462821462 1068176836 /nfs/dbraw/zinc/17/68/36/1068176836.db2.gz DXJAZIQBKTUUOB-HIFRSBDPSA-N 0 0 455.304 4.840 20 0 JJADRN O=S(=O)(CC[C@H]1CCc2ccccc21)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001462821846 1068177306 /nfs/dbraw/zinc/17/73/06/1068177306.db2.gz GVVNGXATZOLGKG-XMSQKQJNSA-N 0 0 451.007 4.656 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccnn1-c1ccccc1 ZINC001462821852 1068177431 /nfs/dbraw/zinc/17/74/31/1068177431.db2.gz VFNVDBRMTFTPIA-UHFFFAOYSA-N 0 0 456.493 4.916 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC001462824000 1068178046 /nfs/dbraw/zinc/17/80/46/1068178046.db2.gz CANCDDKWLAWPIM-AZUAARDMSA-N 0 0 479.911 4.667 20 0 JJADRN COc1cc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc(Cl)c1OCCC(C)C ZINC001462825821 1068178395 /nfs/dbraw/zinc/17/83/95/1068178395.db2.gz LNMTZEAVPKPMGW-SIKLNZKXSA-N 0 0 480.939 4.754 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC001462830917 1068181958 /nfs/dbraw/zinc/18/19/58/1068181958.db2.gz MHHRKJUJDCBTGJ-UHFFFAOYSA-N 0 0 459.550 4.604 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546134404 1068181967 /nfs/dbraw/zinc/18/19/67/1068181967.db2.gz WDPKGRBINLWKPE-HXUWFJFHSA-N 0 0 499.656 4.988 20 0 JJADRN C[C@@H](NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830736 1068182061 /nfs/dbraw/zinc/18/20/61/1068182061.db2.gz HCRZJVWCHXDYFM-CYBMUJFWSA-N 0 0 452.458 4.717 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC001462832956 1068183202 /nfs/dbraw/zinc/18/32/02/1068183202.db2.gz PGSYIXOHMVTIJI-ZCYQVOJMSA-N 0 0 452.576 4.613 20 0 JJADRN Cc1nc(S(=O)(=O)N[C@@H](C)Cc2ccc(Br)cc2)c(-c2ccccc2)s1 ZINC001462836581 1068184626 /nfs/dbraw/zinc/18/46/26/1068184626.db2.gz JJIYDXJCTSHKFF-ZDUSSCGKSA-N 0 0 451.411 4.791 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)C2 ZINC001462837753 1068185083 /nfs/dbraw/zinc/18/50/83/1068185083.db2.gz CSKHRBUXONGICV-CQSZACIVSA-N 0 0 457.889 4.689 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)O2 ZINC001462839698 1068185830 /nfs/dbraw/zinc/18/58/30/1068185830.db2.gz JNTBNTXCZHLBAB-JVSYTAOLSA-N 0 0 457.517 4.917 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)C1(c3ccc(C(C)(C)C)cc3)CCCCC1)C2 ZINC001462838902 1068185851 /nfs/dbraw/zinc/18/58/51/1068185851.db2.gz IHKGWEGQKLGZLA-LJQANCHMSA-N 0 0 451.611 4.990 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)C3(c4ccccc4Br)CCCCC3)O2)[C@H]1C ZINC001462838680 1068185872 /nfs/dbraw/zinc/18/58/72/1068185872.db2.gz HTGSADBYFZVVRS-VOLVWJTLSA-N 0 0 450.417 4.740 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cc1OCC ZINC001462839713 1068186368 /nfs/dbraw/zinc/18/63/68/1068186368.db2.gz JNZHEKWBKHVMDV-NRFANRHFSA-N 0 0 454.405 4.645 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1nn(C(C)C)cc1Cl ZINC001462843970 1068187324 /nfs/dbraw/zinc/18/73/24/1068187324.db2.gz BFNDDRATZUKMSF-UHFFFAOYSA-N 0 0 454.095 4.636 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CCOCC1 ZINC001546134498 1068187522 /nfs/dbraw/zinc/18/75/22/1068187522.db2.gz ZCQMUXJTAUTUNI-VQIMIIECSA-N 0 0 452.521 4.795 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](S(=O)(=O)Oc2ccc(-c3nc4cc(Cl)ccc4s3)cc2)C1 ZINC001462844291 1068187570 /nfs/dbraw/zinc/18/75/70/1068187570.db2.gz HMQSYIILFNZSJV-CJNGLKHVSA-N 0 0 451.953 4.667 20 0 JJADRN CCCc1ccccc1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001462849627 1068189971 /nfs/dbraw/zinc/18/99/71/1068189971.db2.gz OHTJRPHGRLWBMB-SFHVURJKSA-N 0 0 454.567 4.999 20 0 JJADRN O=S(=O)(NCc1ccccc1OCc1ccccc1)c1cc(Br)ccc1F ZINC001462851593 1068190545 /nfs/dbraw/zinc/19/05/45/1068190545.db2.gz HWFFYEWKDCEZFX-UHFFFAOYSA-N 0 0 450.329 4.646 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3COC(C)(C)C)cc2)C1 ZINC001462852155 1068191008 /nfs/dbraw/zinc/19/10/08/1068191008.db2.gz PSZQMUKELIMLNP-OALUTQOASA-N 0 0 458.624 4.921 20 0 JJADRN CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)c1 ZINC001462852122 1068191068 /nfs/dbraw/zinc/19/10/68/1068191068.db2.gz IEZLPQOQICNGCB-OAHLLOKOSA-N 0 0 450.988 4.592 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1Br)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001462854779 1068191731 /nfs/dbraw/zinc/19/17/31/1068191731.db2.gz QMNWINGMPBBUSN-HNNXBMFYSA-N 0 0 451.361 4.779 20 0 JJADRN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2scc(Br)c2Br)cc1 ZINC001462855297 1068192356 /nfs/dbraw/zinc/19/23/56/1068192356.db2.gz UBYHMDBWBDLRPW-SNVBAGLBSA-N 0 0 453.221 4.963 20 0 JJADRN COc1cccc(Oc2ccc(CNS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cn2)c1 ZINC001462856284 1068192930 /nfs/dbraw/zinc/19/29/30/1068192930.db2.gz ASQFGMIDHBWFBT-UHFFFAOYSA-N 0 0 457.310 4.807 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c1 ZINC001462857117 1068192977 /nfs/dbraw/zinc/19/29/77/1068192977.db2.gz IBVSKTGMPUGKNC-UHFFFAOYSA-N 0 0 456.011 4.900 20 0 JJADRN CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC001462862541 1068195217 /nfs/dbraw/zinc/19/52/17/1068195217.db2.gz WEWDYVCPXKCXQE-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN O=S(=O)(NCc1cc(Br)cs1)c1cc(Cl)ccc1OC(F)(F)F ZINC001462862523 1068195254 /nfs/dbraw/zinc/19/52/54/1068195254.db2.gz VVTQDXCWPNQMPO-UHFFFAOYSA-N 0 0 450.685 4.541 20 0 JJADRN Cn1cnc2cc(S(=O)(=O)N3CCC(CCc4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC001462865261 1068195642 /nfs/dbraw/zinc/19/56/42/1068195642.db2.gz KCJMAYOOSGSBKB-UHFFFAOYSA-N 0 0 451.514 4.626 20 0 JJADRN O=C(Nc1ccc2cc(Br)cnc2n1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001462864012 1068195737 /nfs/dbraw/zinc/19/57/37/1068195737.db2.gz GZRUXSGHGCLUKX-UHFFFAOYSA-N 0 0 452.230 4.961 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc1Cl ZINC001462866436 1068196167 /nfs/dbraw/zinc/19/61/67/1068196167.db2.gz AOSJPBFXANVKNQ-HNNXBMFYSA-N 0 0 454.976 4.605 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC001462865962 1068196233 /nfs/dbraw/zinc/19/62/33/1068196233.db2.gz QEQVEBWECFGMIX-UHFFFAOYSA-N 0 0 452.580 4.512 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N=[S@@](C)(=O)c1ccccc1Br ZINC001462869841 1068197445 /nfs/dbraw/zinc/19/74/45/1068197445.db2.gz IDHFWIPCMAGSPJ-MHZLTWQESA-N 0 0 454.296 4.519 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1ccccc1Br ZINC001462870786 1068197898 /nfs/dbraw/zinc/19/78/98/1068197898.db2.gz KBLRVEJMRBAVCH-RUZDIDTESA-N 0 0 458.790 4.706 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc(C)c1OCc1ccccc1 ZINC001462870007 1068197974 /nfs/dbraw/zinc/19/79/74/1068197974.db2.gz LCJPAZDTJZMBGK-LJQANCHMSA-N 0 0 457.514 4.614 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)N=[S@@](C)(=O)c1ccccc1Br ZINC001462872870 1068198365 /nfs/dbraw/zinc/19/83/65/1068198365.db2.gz PRLLDSHOAAACGX-VWLOTQADSA-N 0 0 455.321 4.545 20 0 JJADRN O=S(=O)([C@@H]1CCc2ccccc2C1)N(Cc1cccnc1)c1ccc(Br)cc1 ZINC001462877714 1068200260 /nfs/dbraw/zinc/20/02/60/1068200260.db2.gz XLSKXVOGFADLMU-JOCHJYFZSA-N 0 0 457.393 4.738 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001462879405 1068201116 /nfs/dbraw/zinc/20/11/16/1068201116.db2.gz OESWCBPFFIBKEQ-KRWDZBQOSA-N 0 0 452.551 4.996 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC001462879918 1068201132 /nfs/dbraw/zinc/20/11/32/1068201132.db2.gz FZBXNKPCBKJXAR-AREMUKBSSA-N 0 0 452.761 4.800 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c(C)c1 ZINC001462879511 1068201304 /nfs/dbraw/zinc/20/13/04/1068201304.db2.gz IYLCCDBDRIQIAZ-UHFFFAOYSA-N 0 0 459.587 4.875 20 0 JJADRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2OC(F)F)cc1 ZINC001462886482 1068203371 /nfs/dbraw/zinc/20/33/71/1068203371.db2.gz KGUZHQNUNIJUGN-UHFFFAOYSA-N 0 0 451.466 4.827 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2c(F)ccc(F)c2C(=O)OC)cc1OC ZINC001462888157 1068203877 /nfs/dbraw/zinc/20/38/77/1068203877.db2.gz TYEXGNJNMQECKC-UHFFFAOYSA-N 0 0 458.255 4.564 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001462889126 1068204525 /nfs/dbraw/zinc/20/45/25/1068204525.db2.gz OEPBAKBFGVGUCI-UHFFFAOYSA-N 0 0 454.202 4.973 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(C(F)(F)F)c(F)c1 ZINC001462893526 1068205562 /nfs/dbraw/zinc/20/55/62/1068205562.db2.gz BVLFTOZXPXNMTN-UHFFFAOYSA-N 0 0 451.869 4.525 20 0 JJADRN CN(CCC(F)(F)F)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001462894447 1068205947 /nfs/dbraw/zinc/20/59/47/1068205947.db2.gz GGMFWZWKBFUABZ-UHFFFAOYSA-N 0 0 456.255 4.953 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC001462895465 1068206437 /nfs/dbraw/zinc/20/64/37/1068206437.db2.gz KKTQDLQYHQDBGM-LJQANCHMSA-N 0 0 453.944 4.704 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2ccccc2I)c1 ZINC001462896743 1068207029 /nfs/dbraw/zinc/20/70/29/1068207029.db2.gz VJMVWKJZWOJOEB-UHFFFAOYSA-N 0 0 455.267 4.772 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)c1C ZINC001462896429 1068207116 /nfs/dbraw/zinc/20/71/16/1068207116.db2.gz UKJZJQIZEMXDMZ-UHFFFAOYSA-N 0 0 455.433 4.825 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001462900721 1068208723 /nfs/dbraw/zinc/20/87/23/1068208723.db2.gz MZISDAUMHJYYIV-QGZVFWFLSA-N 0 0 457.317 4.819 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(C)(C)CC4=O)cc2)cc1 ZINC001462900852 1068208775 /nfs/dbraw/zinc/20/87/75/1068208775.db2.gz DSXISANYMSZBIH-UHFFFAOYSA-N 0 0 454.500 4.999 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)c3cc(Br)ccc3C)CCCCC2)cc1 ZINC001462900329 1068208812 /nfs/dbraw/zinc/20/88/12/1068208812.db2.gz ZBUDKMMDSKSOIU-UHFFFAOYSA-N 0 0 452.414 4.947 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2=O ZINC001462901106 1068209341 /nfs/dbraw/zinc/20/93/41/1068209341.db2.gz GDNQMHZMIJRKPH-UHFFFAOYSA-N 0 0 459.745 4.922 20 0 JJADRN COC(=O)c1cc(F)c(COC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c(F)c1 ZINC001462901780 1068209368 /nfs/dbraw/zinc/20/93/68/1068209368.db2.gz SVAQNGLKXAWJDY-UHFFFAOYSA-N 0 0 452.413 4.928 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135085 1068210989 /nfs/dbraw/zinc/21/09/89/1068210989.db2.gz NCZUHLKOZZTLEG-LPHOPBHVSA-N 0 0 458.839 4.684 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c(Cl)c1Cl ZINC001462911262 1068212120 /nfs/dbraw/zinc/21/21/20/1068212120.db2.gz KPLSDLCTSUYYAA-SNVBAGLBSA-N 0 0 458.285 4.767 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1cc(Cl)cnc1N ZINC001462911861 1068212209 /nfs/dbraw/zinc/21/22/09/1068212209.db2.gz TXWIKLGMSDJEEJ-IBGZPJMESA-N 0 0 451.926 4.938 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001462914178 1068213023 /nfs/dbraw/zinc/21/30/23/1068213023.db2.gz ZOHWNHYADNSHQV-HSZRJFAPSA-N 0 0 459.562 4.919 20 0 JJADRN Cc1nn2c(c1Cl)N(C(=O)Cc1c(C)nn(-c3ccc(Cl)cc3Cl)c1C)CCC2 ZINC001462914482 1068213123 /nfs/dbraw/zinc/21/31/23/1068213123.db2.gz SRBCMEFOWLYFFY-UHFFFAOYSA-N 0 0 452.773 4.934 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC001462916189 1068213138 /nfs/dbraw/zinc/21/31/38/1068213138.db2.gz LVICOWAJOMZBJS-UHFFFAOYSA-N 0 0 450.402 4.979 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1 ZINC001462919325 1068214273 /nfs/dbraw/zinc/21/42/73/1068214273.db2.gz CUHWICOAYSRUSG-UHFFFAOYSA-N 0 0 458.967 4.784 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)nc2F)[C@@H]1C ZINC001462920489 1068214827 /nfs/dbraw/zinc/21/48/27/1068214827.db2.gz KFERFVBLHOMSSR-FMKPAKJESA-N 0 0 454.951 4.618 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC001462921389 1068214847 /nfs/dbraw/zinc/21/48/47/1068214847.db2.gz HFZGBGMHQNVMLK-INIZCTEOSA-N 0 0 450.482 4.805 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)N(C)c1ccccc1 ZINC001462922834 1068215969 /nfs/dbraw/zinc/21/59/69/1068215969.db2.gz JHTJODBNKLKBKW-NSHDSACASA-N 0 0 452.201 4.559 20 0 JJADRN O=S(=O)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(Cl)sc1Cl ZINC001462923668 1068215981 /nfs/dbraw/zinc/21/59/81/1068215981.db2.gz ITGDKFMJWXXTDG-UHFFFAOYSA-N 0 0 456.298 4.738 20 0 JJADRN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC001462926431 1068216652 /nfs/dbraw/zinc/21/66/52/1068216652.db2.gz FUHDTYWVBXLISO-LLVKDONJSA-N 0 0 453.185 4.810 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC001462927091 1068217107 /nfs/dbraw/zinc/21/71/07/1068217107.db2.gz OMAGZSTVWGFXMG-OAHLLOKOSA-N 0 0 453.486 4.547 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001462928193 1068217566 /nfs/dbraw/zinc/21/75/66/1068217566.db2.gz VPCFTNUCWRGDRW-HZPDHXFCSA-N 0 0 458.967 4.677 20 0 JJADRN CCN(Cc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC001462929332 1068218259 /nfs/dbraw/zinc/21/82/59/1068218259.db2.gz WAXMQOYBOOUSIW-UHFFFAOYSA-N 0 0 453.185 4.975 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)COCC3CCCCC3)c2)cc1 ZINC001462930709 1068218739 /nfs/dbraw/zinc/21/87/39/1068218739.db2.gz MCWXVPDZADCGLK-HXUWFJFHSA-N 0 0 458.624 4.535 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001462930402 1068218818 /nfs/dbraw/zinc/21/88/18/1068218818.db2.gz KWROXRWUIAEVRT-CKUXNOBLSA-N 0 0 468.569 4.646 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001462931555 1068219283 /nfs/dbraw/zinc/21/92/83/1068219283.db2.gz SYAOAVMXUCLXKO-ZDUSSCGKSA-N 0 0 452.342 4.776 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N[C@H](C)COCC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462932325 1068219839 /nfs/dbraw/zinc/21/98/39/1068219839.db2.gz RGCQLNGMQRBVFY-BVZALQNUSA-N 0 0 452.998 4.879 20 0 JJADRN CC(C)CN(Cc1ccccn1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001462934050 1068220635 /nfs/dbraw/zinc/22/06/35/1068220635.db2.gz HIOFBKHJOFMPOO-ISKFKSNPSA-N 0 0 451.611 4.792 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)NCc2ccccc2Br)c(Br)c1 ZINC001462937890 1068222167 /nfs/dbraw/zinc/22/21/67/1068222167.db2.gz ZERUYOOUDHUPRY-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 ZINC001462940140 1068222793 /nfs/dbraw/zinc/22/27/93/1068222793.db2.gz GOMKAXSRASBPKQ-UHFFFAOYSA-N 0 0 454.271 4.586 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C)C[C@H]1CCCO1 ZINC001462944529 1068223368 /nfs/dbraw/zinc/22/33/68/1068223368.db2.gz LFRLTJNJXWNVGX-UXHICEINSA-N 0 0 451.007 4.851 20 0 JJADRN Cc1ccc2ccccc2c1S(=O)(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001462943954 1068223410 /nfs/dbraw/zinc/22/34/10/1068223410.db2.gz CNLLKZVPVIHQJZ-UHFFFAOYSA-N 0 0 457.983 4.730 20 0 JJADRN CC(C)c1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)cn1 ZINC001462944299 1068223428 /nfs/dbraw/zinc/22/34/28/1068223428.db2.gz ZXVLFTKEDOLMPY-UHFFFAOYSA-N 0 0 454.250 4.819 20 0 JJADRN Cc1cccc(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 ZINC001462945632 1068223960 /nfs/dbraw/zinc/22/39/60/1068223960.db2.gz BMUMPOKOSZGVIZ-HXUWFJFHSA-N 0 0 452.016 4.852 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CC=C(c3cccc4ccccc43)CC2)c1 ZINC001462946780 1068224486 /nfs/dbraw/zinc/22/44/86/1068224486.db2.gz LTZTXQVWWUXDLD-UHFFFAOYSA-N 0 0 451.544 4.503 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc4c3[C@H](C)CC4(C)C)CC2)c1 ZINC001462947245 1068225029 /nfs/dbraw/zinc/22/50/29/1068225029.db2.gz OBBFBSUJHUNGSW-QGZVFWFLSA-N 0 0 450.579 4.980 20 0 JJADRN C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c2cc(F)c(F)cc2O1 ZINC001462949539 1068225529 /nfs/dbraw/zinc/22/55/29/1068225529.db2.gz OYYWFNGZZFPILK-TWMLBXNWSA-N 0 0 450.526 4.798 20 0 JJADRN CC(=O)N1CCCc2ccc(S(=O)(=O)NCC(C)(C)c3ccc(Cl)c(Cl)c3)cc21 ZINC001462948026 1068225564 /nfs/dbraw/zinc/22/55/64/1068225564.db2.gz IASXOWYFJNLYPQ-UHFFFAOYSA-N 0 0 455.407 4.549 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001462949924 1068226245 /nfs/dbraw/zinc/22/62/45/1068226245.db2.gz DAFPSOXLQJYJGT-SFTDATJTSA-N 0 0 468.388 4.585 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC001462951055 1068226389 /nfs/dbraw/zinc/22/63/89/1068226389.db2.gz CBFSZFNVFWDHFC-UHFFFAOYSA-N 0 0 452.267 4.960 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(COc3cccc(Br)c3)o1)[C@H]2C ZINC001462953453 1068227433 /nfs/dbraw/zinc/22/74/33/1068227433.db2.gz NUECOAIIUYYVHU-AWEZNQCLSA-N 0 0 459.344 4.553 20 0 JJADRN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c21 ZINC001462953758 1068227497 /nfs/dbraw/zinc/22/74/97/1068227497.db2.gz XYWGQPLOIATBJV-CZUORRHYSA-N 0 0 453.029 4.978 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957242 1068229496 /nfs/dbraw/zinc/22/94/96/1068229496.db2.gz DIAGVEAZPDLMMC-BXUZGUMPSA-N 0 0 454.770 4.502 20 0 JJADRN COC(=O)[C@](C)(NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 ZINC001462959766 1068230270 /nfs/dbraw/zinc/23/02/70/1068230270.db2.gz BEZCXKJGKLZAIY-HXPMCKFVSA-N 0 0 458.274 4.776 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001462962455 1068230649 /nfs/dbraw/zinc/23/06/49/1068230649.db2.gz JHVUQGPJRUSXLE-HXUWFJFHSA-N 0 0 453.963 4.638 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCc3cc(C(C)(C)C)ccc3C2)cc1Br ZINC001462965392 1068231572 /nfs/dbraw/zinc/23/15/72/1068231572.db2.gz IQOUTRRAFJAJTI-UHFFFAOYSA-N 0 0 452.414 4.892 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)Cc1csc2sc(C)cc12)c1cccc(Br)c1 ZINC001462964499 1068231667 /nfs/dbraw/zinc/23/16/67/1068231667.db2.gz OAGSVXYAUYBUQD-IBGZPJMESA-N 0 0 452.395 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc21 ZINC001462971857 1068233901 /nfs/dbraw/zinc/23/39/01/1068233901.db2.gz DOLPKWZZYGWDPF-SJORKVTESA-N 0 0 458.505 4.735 20 0 JJADRN CN(C)c1cc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC001462976647 1068235580 /nfs/dbraw/zinc/23/55/80/1068235580.db2.gz LJBIFNFIEVFWON-KRWDZBQOSA-N 0 0 457.905 4.579 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@H](CS(=O)(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC001462976430 1068235604 /nfs/dbraw/zinc/23/56/04/1068235604.db2.gz PVQKBOKCWAKYJS-VWNXMTODSA-N 0 0 456.608 4.592 20 0 JJADRN CN(C)c1cc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc(C(F)(F)F)c1 ZINC001462976842 1068235822 /nfs/dbraw/zinc/23/58/22/1068235822.db2.gz LTQWYBFQMIXTLT-IBGZPJMESA-N 0 0 455.889 4.992 20 0 JJADRN O=S(=O)(c1ccc(C(F)F)cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001462977902 1068236259 /nfs/dbraw/zinc/23/62/59/1068236259.db2.gz QAKLVVCTGAQBRQ-OAHLLOKOSA-N 0 0 453.898 4.896 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC001462977302 1068236332 /nfs/dbraw/zinc/23/63/32/1068236332.db2.gz ODYZJVRMKARZBC-INIZCTEOSA-N 0 0 454.958 4.722 20 0 JJADRN Cc1cc(F)cc(C(=O)N2C[C@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001462977449 1068236352 /nfs/dbraw/zinc/23/63/52/1068236352.db2.gz PAXWDFFEBPXZIG-FPOVZHCZSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccccc1C1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCCCC1 ZINC001462982867 1068238608 /nfs/dbraw/zinc/23/86/08/1068238608.db2.gz DSKVYYWLYFONAG-UHFFFAOYSA-N 0 0 457.821 4.986 20 0 JJADRN CC(C)Cc1ccc([C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001462984316 1068239313 /nfs/dbraw/zinc/23/93/13/1068239313.db2.gz AGXFKGZCEPSLTH-YADHBBJMSA-N 0 0 450.645 4.655 20 0 JJADRN C[C@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)c1c(Cl)cccc1Cl ZINC001462984221 1068239329 /nfs/dbraw/zinc/23/93/29/1068239329.db2.gz RUBRVLDOQQMZIV-SNVBAGLBSA-N 0 0 455.285 4.576 20 0 JJADRN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001462986990 1068240461 /nfs/dbraw/zinc/24/04/61/1068240461.db2.gz NBVMMVCXQPBPEK-PMACEKPBSA-N 0 0 455.352 4.620 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 ZINC001462987068 1068240966 /nfs/dbraw/zinc/24/09/66/1068240966.db2.gz PQFVXKSGYZRSJZ-QGZVFWFLSA-N 0 0 450.336 4.811 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001462987851 1068241095 /nfs/dbraw/zinc/24/10/95/1068241095.db2.gz HXUCYGSXWWGIDL-OAQYLSRUSA-N 0 0 459.493 4.968 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC001462989210 1068241567 /nfs/dbraw/zinc/24/15/67/1068241567.db2.gz NBRRBMDLTPOYDW-QHCPKHFHSA-N 0 0 452.551 4.900 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001462992049 1068242136 /nfs/dbraw/zinc/24/21/36/1068242136.db2.gz NRSFOUVMFXUMRU-OAQYLSRUSA-N 0 0 451.514 4.820 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCCC1 ZINC001462992339 1068242191 /nfs/dbraw/zinc/24/21/91/1068242191.db2.gz QADXEKQMWHJEEK-UHFFFAOYSA-N 0 0 455.379 4.638 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cccc(-c2ccon2)c1 ZINC001462994002 1068242791 /nfs/dbraw/zinc/24/27/91/1068242791.db2.gz OLTSQQBCYAILKC-UHFFFAOYSA-N 0 0 454.408 4.984 20 0 JJADRN CCC1(Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CCOCC1 ZINC001546135707 1068243313 /nfs/dbraw/zinc/24/33/13/1068243313.db2.gz DBYAAPGGTXCSLS-IBGZPJMESA-N 0 0 465.564 4.533 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@H](C)Oc1ccc(Br)cc1)CC2 ZINC001463005517 1068246870 /nfs/dbraw/zinc/24/68/70/1068246870.db2.gz JFPRWOIBEKKJHY-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001463006846 1068248061 /nfs/dbraw/zinc/24/80/61/1068248061.db2.gz QQUYOOJEEZZUEJ-HNNXBMFYSA-N 0 0 458.260 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)c2ccccc2C1 ZINC001463009286 1068249160 /nfs/dbraw/zinc/24/91/60/1068249160.db2.gz ZJVQZSJXCUQQRJ-UHFFFAOYSA-N 0 0 454.951 4.566 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2)CC1)c1cnc2c(Br)csc2c1 ZINC001463009547 1068249708 /nfs/dbraw/zinc/24/97/08/1068249708.db2.gz OKDZIXJXLKDYHC-UHFFFAOYSA-N 0 0 457.802 4.722 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1 ZINC001463009670 1068249815 /nfs/dbraw/zinc/24/98/15/1068249815.db2.gz QDMMUKIVALFPRX-UHFFFAOYSA-N 0 0 450.604 4.511 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001463011062 1068250357 /nfs/dbraw/zinc/25/03/57/1068250357.db2.gz WIFDZVQPTZXPJE-UHFFFAOYSA-N 0 0 458.371 4.617 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc1I ZINC001463010576 1068250431 /nfs/dbraw/zinc/25/04/31/1068250431.db2.gz KRFBSVHFNLJFOE-LBPRGKRZSA-N 0 0 455.723 4.987 20 0 JJADRN COc1ccc(C[C@@H](NS(=O)(=O)c2cc(C)cc(C)c2OC)c2ccccc2)cc1OC ZINC001463012240 1068251094 /nfs/dbraw/zinc/25/10/94/1068251094.db2.gz AFQALQFWCQLJGZ-OAQYLSRUSA-N 0 0 455.576 4.592 20 0 JJADRN COc1cc(Cl)c(F)cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC001463014076 1068251610 /nfs/dbraw/zinc/25/16/10/1068251610.db2.gz UZTJEXMHYKBGKB-UHFFFAOYSA-N 0 0 455.795 4.613 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001463014996 1068252138 /nfs/dbraw/zinc/25/21/38/1068252138.db2.gz AAGUPJFNHXGKCE-KEYYUXOJSA-N 0 0 450.967 4.753 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(Cl)c(Cl)c1 ZINC001463016101 1068252623 /nfs/dbraw/zinc/25/26/23/1068252623.db2.gz DCPKCFDANGIJHW-UHFFFAOYSA-N 0 0 450.409 4.878 20 0 JJADRN COC(=O)c1cccc2c1CCN2C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001463020517 1068254612 /nfs/dbraw/zinc/25/46/12/1068254612.db2.gz XPTZWWNHQOQNEF-UHFFFAOYSA-N 0 0 453.292 4.626 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cnc2c(c1)c(C)nn2C)c1ccc(Cl)c(Cl)c1 ZINC001463025551 1068255856 /nfs/dbraw/zinc/25/58/56/1068255856.db2.gz WERHWHBHVUGNCQ-UHFFFAOYSA-N 0 0 455.411 4.620 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl ZINC001463027106 1068256336 /nfs/dbraw/zinc/25/63/36/1068256336.db2.gz XZAMLIFRENWJJH-AWEZNQCLSA-N 0 0 450.919 4.501 20 0 JJADRN COc1ccc(C)c2c1N(S(=O)(=O)c1ccc(NC(=O)c3ccc(F)cc3)cc1)CCC2 ZINC001463027066 1068256383 /nfs/dbraw/zinc/25/63/83/1068256383.db2.gz RITVOAQRUYQZLP-UHFFFAOYSA-N 0 0 454.523 4.537 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl ZINC001463027108 1068256425 /nfs/dbraw/zinc/25/64/25/1068256425.db2.gz XZAMLIFRENWJJH-CQSZACIVSA-N 0 0 450.919 4.501 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001463027473 1068256751 /nfs/dbraw/zinc/25/67/51/1068256751.db2.gz WFVYARUERLNORJ-UHFFFAOYSA-N 0 0 450.379 4.998 20 0 JJADRN Cn1nc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1C(F)(F)F ZINC001463029776 1068256938 /nfs/dbraw/zinc/25/69/38/1068256938.db2.gz DSZKIABGBWSPNA-KRWDZBQOSA-N 0 0 454.246 4.960 20 0 JJADRN CC(C)COc1ccc(S(=O)(=O)NC[C@H](C)Sc2ccc(Br)cc2)cc1 ZINC001463033699 1068258012 /nfs/dbraw/zinc/25/80/12/1068258012.db2.gz SYCRNVRXFHBALD-HNNXBMFYSA-N 0 0 458.443 4.943 20 0 JJADRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)s1 ZINC001463034308 1068258159 /nfs/dbraw/zinc/25/81/59/1068258159.db2.gz QRHDBWNBXLLESE-CQSZACIVSA-N 0 0 450.532 4.619 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)CCSc3ccnc4cc(Cl)ccc43)cc12 ZINC001463033604 1068258228 /nfs/dbraw/zinc/25/82/28/1068258228.db2.gz WSPRJNQRQKRSTN-UHFFFAOYSA-N 0 0 454.939 4.834 20 0 JJADRN CC(C)(Cc1ccccc1Cl)NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463039884 1068260947 /nfs/dbraw/zinc/26/09/47/1068260947.db2.gz IXSHTQSVRAHTPS-SFHVURJKSA-N 0 0 456.833 4.901 20 0 JJADRN COC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)C1 ZINC001463043039 1068261755 /nfs/dbraw/zinc/26/17/55/1068261755.db2.gz XPBFPJWGTODKOI-INIZCTEOSA-N 0 0 453.489 4.575 20 0 JJADRN CCN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC001463042751 1068261895 /nfs/dbraw/zinc/26/18/95/1068261895.db2.gz UEERCDYIQSYSIF-QHCPKHFHSA-N 0 0 454.523 4.554 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2ccccn2)c1 ZINC001463044820 1068262359 /nfs/dbraw/zinc/26/23/59/1068262359.db2.gz UQCNCEXCNOLTPT-JOCHJYFZSA-N 0 0 458.967 4.712 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)c1cscc1Br ZINC001463043522 1068262521 /nfs/dbraw/zinc/26/25/21/1068262521.db2.gz XROWXIXBMKSTCB-UHFFFAOYSA-N 0 0 459.364 4.793 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(OCC(F)F)cc1 ZINC001463045282 1068263111 /nfs/dbraw/zinc/26/31/11/1068263111.db2.gz CRRSTRXMVHEDKW-XMMPIXPASA-N 0 0 459.514 4.723 20 0 JJADRN COc1ccc2oc([C@H](C)NS(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)c(C)c2c1 ZINC001463046421 1068263788 /nfs/dbraw/zinc/26/37/88/1068263788.db2.gz KUPKNGOVGQLGKO-AWEZNQCLSA-N 0 0 459.955 4.937 20 0 JJADRN CC(C)CN(CC(=O)NCCc1cc(F)cc(OCc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001463046690 1068264273 /nfs/dbraw/zinc/26/42/73/1068264273.db2.gz HUEZSPRQUTVHDT-UHFFFAOYSA-N 0 0 458.574 4.957 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)c2ccccc12 ZINC001463048124 1068264462 /nfs/dbraw/zinc/26/44/62/1068264462.db2.gz QNJLPRDZCBWOTK-HNNXBMFYSA-N 0 0 453.516 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)cc2C1 ZINC001463050004 1068265473 /nfs/dbraw/zinc/26/54/73/1068265473.db2.gz NXVMZNGHOUBCSF-SJORKVTESA-N 0 0 451.354 4.683 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC001463049284 1068265653 /nfs/dbraw/zinc/26/56/53/1068265653.db2.gz PAYXCEODEGJQFD-UHFFFAOYSA-N 0 0 455.576 4.875 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2)c1c(Cl)cccc1Cl ZINC001463050703 1068266111 /nfs/dbraw/zinc/26/61/11/1068266111.db2.gz WMFGNIOPGFBBCJ-UHFFFAOYSA-N 0 0 455.407 4.869 20 0 JJADRN CCN(C)c1ccccc1CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463051494 1068266215 /nfs/dbraw/zinc/26/62/15/1068266215.db2.gz WYLDDEZFTRLJHR-UHFFFAOYSA-N 0 0 452.201 4.691 20 0 JJADRN CCN(C)c1ccccc1CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463051610 1068266392 /nfs/dbraw/zinc/26/63/92/1068266392.db2.gz XUUPVOCTKHZIHX-UHFFFAOYSA-N 0 0 452.201 4.691 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC001463054617 1068267993 /nfs/dbraw/zinc/26/79/93/1068267993.db2.gz HJHZFKDKKIBRSA-ZDPZECHZSA-N 0 0 454.368 4.934 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)Oc1ccc(-c2csc(C)n2)cc1 ZINC001463054673 1068268105 /nfs/dbraw/zinc/26/81/05/1068268105.db2.gz MRDDMINZVBCNHN-UHFFFAOYSA-N 0 0 454.367 4.966 20 0 JJADRN CCC(CC)(NS(=O)(=O)c1cnn(-c2ccccn2)c1C)c1ccc(Cl)c(Cl)c1 ZINC001463055280 1068268148 /nfs/dbraw/zinc/26/81/48/1068268148.db2.gz RKLFYRYFUVSMMT-UHFFFAOYSA-N 0 0 453.395 4.876 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N(C)CCc3ccc(Br)cc3)ccc2nc1Cl ZINC001463057170 1068268613 /nfs/dbraw/zinc/26/86/13/1068268613.db2.gz YQHUUWXMPLIWHR-UHFFFAOYSA-N 0 0 453.789 4.822 20 0 JJADRN Cc1nc(S(=O)(=O)NCc2ccccc2Oc2ccccc2C)sc1Br ZINC001463060167 1068269875 /nfs/dbraw/zinc/26/98/75/1068269875.db2.gz WYXUQGVGUFZPSX-UHFFFAOYSA-N 0 0 453.383 4.793 20 0 JJADRN CCSc1ccc([C@@H](C)NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058901 1068270080 /nfs/dbraw/zinc/27/00/80/1068270080.db2.gz JCZQOBWZKTYIFX-QWVSSGJLSA-N 0 0 452.545 4.741 20 0 JJADRN Cc1cc(SCC(=O)N2CCCSC[C@@H]2c2cnn(C)c2)c(C)cc1Br ZINC001463060128 1068270629 /nfs/dbraw/zinc/27/06/29/1068270629.db2.gz VDZDVZZCYIYOGW-QGZVFWFLSA-N 0 0 454.459 4.598 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1Cl ZINC001463061954 1068271050 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WKOJQVBHTLKEOP-NRFANRHFSA-N 0 0 497.684 4.538 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001463071962 1068276775 /nfs/dbraw/zinc/27/67/75/1068276775.db2.gz ZNFPMDRPCJDSAQ-UHFFFAOYSA-N 0 0 457.414 4.949 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463072938 1068277412 /nfs/dbraw/zinc/27/74/12/1068277412.db2.gz SIIYCGAJPBWFIF-UHFFFAOYSA-N 0 0 458.392 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C(C)(C)C1 ZINC001463074997 1068278650 /nfs/dbraw/zinc/27/86/50/1068278650.db2.gz SVCXLLKRPOXKJO-QGZVFWFLSA-N 0 0 450.004 4.768 20 0 JJADRN COc1ccsc1S(=O)(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001463076733 1068278928 /nfs/dbraw/zinc/27/89/28/1068278928.db2.gz UHAMZRIJWOARMD-UHFFFAOYSA-N 0 0 454.367 4.790 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001463081771 1068281266 /nfs/dbraw/zinc/28/12/66/1068281266.db2.gz BZVUGVYTPFSGBM-HSZRJFAPSA-N 0 0 457.498 4.759 20 0 JJADRN O=S(=O)(NCCCc1cccc(Br)c1)c1cc2ccc(Cl)nc2cc1F ZINC001463086667 1068282997 /nfs/dbraw/zinc/28/29/97/1068282997.db2.gz POWMKCAGGDHPBN-UHFFFAOYSA-N 0 0 457.752 4.701 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)Oc1c(Cl)cc(Br)cc1Cl ZINC001463093528 1068283977 /nfs/dbraw/zinc/28/39/77/1068283977.db2.gz GCSVXDDTFVJLPX-XCBNKYQSSA-N 0 0 458.079 4.574 20 0 JJADRN COc1ccccc1-n1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2sccc2C)cn1 ZINC001463092461 1068284025 /nfs/dbraw/zinc/28/40/25/1068284025.db2.gz HQCRQNJLLSPIEH-FQEVSTJZSA-N 0 0 453.589 4.513 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)Oc1c(Cl)cc(Br)cc1Cl ZINC001463093517 1068284124 /nfs/dbraw/zinc/28/41/24/1068284124.db2.gz GCSVXDDTFVJLPX-OIBJUYFYSA-N 0 0 458.079 4.574 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC001463095023 1068284583 /nfs/dbraw/zinc/28/45/83/1068284583.db2.gz QQTOSXOJCHSNIS-GSHUGGBRSA-N 0 0 457.412 4.668 20 0 JJADRN Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c2ccccn2)cc1 ZINC001463095969 1068285317 /nfs/dbraw/zinc/28/53/17/1068285317.db2.gz NURPMMRZISBFTK-INIZCTEOSA-N 0 0 455.889 4.720 20 0 JJADRN Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c2ccccn2)cc1 ZINC001463095976 1068285380 /nfs/dbraw/zinc/28/53/80/1068285380.db2.gz NURPMMRZISBFTK-MRXNPFEDSA-N 0 0 455.889 4.720 20 0 JJADRN Cc1ccc(C[C@@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c2ccccn2)cc1 ZINC001463097509 1068285547 /nfs/dbraw/zinc/28/55/47/1068285547.db2.gz RTGQLNRQQBAGFF-GOSISDBHSA-N 0 0 454.445 4.690 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cc4n(n3)CCC[C@@H]4NC(=O)OC(C)(C)C)CC2)cc1 ZINC001546136532 1068286934 /nfs/dbraw/zinc/28/69/34/1068286934.db2.gz ICKHLRQFGNGQOM-NRFANRHFSA-N 0 0 452.599 4.646 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC001463099579 1068286970 /nfs/dbraw/zinc/28/69/70/1068286970.db2.gz NZRPJFKYROFAKE-OFYULWLWSA-N 0 0 454.979 4.504 20 0 JJADRN Cc1ccc([S@](C)(=O)=NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001463101252 1068287578 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FTLUSELDHZOEQP-HNNXBMFYSA-N 0 0 459.951 4.842 20 0 JJADRN O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001463136668 1068299014 /nfs/dbraw/zinc/29/90/14/1068299014.db2.gz XZRJWUOSGPPAEP-FQEVSTJZSA-N 0 0 457.368 4.923 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)o1 ZINC001463138593 1068299674 /nfs/dbraw/zinc/29/96/74/1068299674.db2.gz RALHLXAVEQCMIZ-DYESRHJHSA-N 0 0 451.560 4.702 20 0 JJADRN CCCOc1ccc(CC(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1OCCC ZINC001463139037 1068300196 /nfs/dbraw/zinc/30/01/96/1068300196.db2.gz WKXRMNNBMHQBEV-KRWDZBQOSA-N 0 0 451.489 4.632 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccnn1CC1CCC1 ZINC001463141643 1068300579 /nfs/dbraw/zinc/30/05/79/1068300579.db2.gz HGHRSDOJNCMWDV-UHFFFAOYSA-N 0 0 453.340 4.950 20 0 JJADRN CC(C)c1nnc(CCC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)o1 ZINC001463145173 1068301634 /nfs/dbraw/zinc/30/16/34/1068301634.db2.gz ZVPAAYRGHQNGMI-UHFFFAOYSA-N 0 0 457.328 4.779 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001463145098 1068301712 /nfs/dbraw/zinc/30/17/12/1068301712.db2.gz YOQOWGJTSNODBN-DENIHFKCSA-N 0 0 459.327 4.585 20 0 JJADRN CSc1ncc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)n1-c1ccc(F)cc1 ZINC001463146896 1068302473 /nfs/dbraw/zinc/30/24/73/1068302473.db2.gz HGCYSJAFASGXER-FQEVSTJZSA-N 0 0 455.555 4.855 20 0 JJADRN CCc1cc(S(=O)(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c(C)cc1OC ZINC001463147700 1068303315 /nfs/dbraw/zinc/30/33/15/1068303315.db2.gz YAMPRCHALQJVHR-QGZVFWFLSA-N 0 0 452.016 4.871 20 0 JJADRN CC(C)COc1cc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)ccc1Br ZINC001463149170 1068303520 /nfs/dbraw/zinc/30/35/20/1068303520.db2.gz KACHIAQFLGASFY-CYBMUJFWSA-N 0 0 451.386 4.702 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 ZINC001463149499 1068303669 /nfs/dbraw/zinc/30/36/69/1068303669.db2.gz NWSVWVQAFZSYEC-HXUWFJFHSA-N 0 0 452.359 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCc3c(Cl)cccc3Cl)CC2)C1 ZINC001463150594 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0 JJADRN COc1cccc(Oc2ncccc2CNS(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC001463159830 1068306732 /nfs/dbraw/zinc/30/67/32/1068306732.db2.gz ZZJRSDALPZFNMX-UHFFFAOYSA-N 0 0 450.969 4.736 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)o1 ZINC001463160492 1068306957 /nfs/dbraw/zinc/30/69/57/1068306957.db2.gz JRMVLNQUYXMQTA-IEBWSBKVSA-N 0 0 453.988 4.963 20 0 JJADRN COC(=O)c1ccc(OC)c(F)c1NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 ZINC001463160404 1068306976 /nfs/dbraw/zinc/30/69/76/1068306976.db2.gz JNBMXAIEGNXMIQ-UHFFFAOYSA-N 0 0 453.495 4.641 20 0 JJADRN O=S(=O)(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc(Cl)ccc1OCC1CC1 ZINC001463160901 1068307099 /nfs/dbraw/zinc/30/70/99/1068307099.db2.gz NCYMVXQBCYFDLL-UHFFFAOYSA-N 0 0 456.391 4.766 20 0 JJADRN CC(C)n1c2ccc(C(=O)NCC(=O)N3CCCCc4ccccc43)cc2nc1C(F)(F)F ZINC001463166567 1068308352 /nfs/dbraw/zinc/30/83/52/1068308352.db2.gz FZTHDNGYEKGCGL-UHFFFAOYSA-N 0 0 458.484 4.735 20 0 JJADRN Cc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c(C)cc1Br ZINC001463170731 1068308694 /nfs/dbraw/zinc/30/86/94/1068308694.db2.gz KACPHFCXGGOJRD-UHFFFAOYSA-N 0 0 450.354 4.756 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001463172657 1068309121 /nfs/dbraw/zinc/30/91/21/1068309121.db2.gz JXKWZCYTTSAJQR-VQTJNVASSA-N 0 0 452.389 4.876 20 0 JJADRN CO[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 ZINC001463174796 1068309740 /nfs/dbraw/zinc/30/97/40/1068309740.db2.gz FMAOVARTPGWPFV-MRXNPFEDSA-N 0 0 453.185 4.563 20 0 JJADRN C[C@@]1(CS(=O)(=O)NCC2(c3ccc(Br)cc3)CCCC2)CC1(Cl)Cl ZINC001463178472 1068310159 /nfs/dbraw/zinc/31/01/59/1068310159.db2.gz SDJUFUAIYVWRSS-HNNXBMFYSA-N 0 0 455.245 4.764 20 0 JJADRN CCN(CC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)C(=O)OC(C)(C)C ZINC001463176433 1068310442 /nfs/dbraw/zinc/31/04/42/1068310442.db2.gz JQQOHJNGOIRJDU-UHFFFAOYSA-N 0 0 451.416 4.651 20 0 JJADRN CCN(CC1CCN(S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1)C(=O)OC(C)(C)C ZINC001463177761 1068310534 /nfs/dbraw/zinc/31/05/34/1068310534.db2.gz NHKHMVJFDXJFNS-UHFFFAOYSA-N 0 0 454.564 4.538 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC[C@H]1c1ccccc1 ZINC001463180675 1068311251 /nfs/dbraw/zinc/31/12/51/1068311251.db2.gz CRJXLZYWBPTVQK-CEYBMKEASA-N 0 0 470.635 4.537 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc2nc(Cl)ccc2s1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001463180552 1068311358 /nfs/dbraw/zinc/31/13/58/1068311358.db2.gz IIKVQTGVMKNXBE-VPTHRUTESA-N 0 0 451.784 4.657 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463181202 1068311534 /nfs/dbraw/zinc/31/15/34/1068311534.db2.gz ZLRBYZADEYAZCR-HSZRJFAPSA-N 0 0 451.592 4.674 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC[C@@H]1c1ccccc1 ZINC001463180684 1068311555 /nfs/dbraw/zinc/31/15/55/1068311555.db2.gz CRJXLZYWBPTVQK-KAKDDGLXSA-N 0 0 470.635 4.537 20 0 JJADRN CCN([C@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001463181621 1068311759 /nfs/dbraw/zinc/31/17/59/1068311759.db2.gz GUIDYQQBCPCXRZ-HXUWFJFHSA-N 0 0 458.958 4.855 20 0 JJADRN Cc1ccccc1O[C@@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463184009 1068312951 /nfs/dbraw/zinc/31/29/51/1068312951.db2.gz COBGZDOUROBNAT-NSHDSACASA-N 0 0 453.185 4.810 20 0 JJADRN O=S(=O)(c1csc(-c2cccc(Br)c2)n1)N1CC[C@H]1c1cccc(F)c1 ZINC001463187036 1068314057 /nfs/dbraw/zinc/31/40/57/1068314057.db2.gz RJAXZBYGOPCSBM-INIZCTEOSA-N 0 0 453.358 4.847 20 0 JJADRN CC(C)(C)c1cc2n(n1)CCN(C(=O)c1ccc(Oc3ccc(Br)cc3)nc1)C2 ZINC001463190773 1068314892 /nfs/dbraw/zinc/31/48/92/1068314892.db2.gz YZFPOJUMGIBYAC-UHFFFAOYSA-N 0 0 455.356 4.786 20 0 JJADRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)C12CCCCC2 ZINC001463195755 1068316699 /nfs/dbraw/zinc/31/66/99/1068316699.db2.gz JYHJJMFKWDFGKL-LEWJYISDSA-N 0 0 453.551 4.890 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001463195786 1068316707 /nfs/dbraw/zinc/31/67/07/1068316707.db2.gz UCTRDTMKPNNXRK-OAHLLOKOSA-N 0 0 459.033 4.883 20 0 JJADRN CCN([C@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC001463197892 1068317553 /nfs/dbraw/zinc/31/75/53/1068317553.db2.gz WMOJGKLAQWQMDR-LJQANCHMSA-N 0 0 459.942 4.683 20 0 JJADRN Cc1ccc(CCS(=O)(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 ZINC001463200587 1068318287 /nfs/dbraw/zinc/31/82/87/1068318287.db2.gz DMIFJOHFRHCXBR-DEOSSOPVSA-N 0 0 457.979 4.671 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)C2)n1 ZINC001463202156 1068318806 /nfs/dbraw/zinc/31/88/06/1068318806.db2.gz RJZIITQWHBZIFF-CJNGLKHVSA-N 0 0 457.328 4.648 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463203721 1068319215 /nfs/dbraw/zinc/31/92/15/1068319215.db2.gz MRWIGMGMHSVCHY-SFHVURJKSA-N 0 0 458.274 4.739 20 0 JJADRN COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001463205832 1068319661 /nfs/dbraw/zinc/31/96/61/1068319661.db2.gz YNKJNNCBVNMKLX-LHSJRXKWSA-N 0 0 456.951 4.504 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3ccc(Oc4nccs4)cc3)ccc21 ZINC001463207267 1068320030 /nfs/dbraw/zinc/32/00/30/1068320030.db2.gz FDYZPSDLYJQMCS-UHFFFAOYSA-N 0 0 458.561 4.737 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CCC1 ZINC001546137237 1068320793 /nfs/dbraw/zinc/32/07/93/1068320793.db2.gz KZDBTCZMUHLIAO-IBGZPJMESA-N 0 0 454.619 4.614 20 0 JJADRN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(Cl)cc2C)C12CCCCC2 ZINC001463207587 1068320814 /nfs/dbraw/zinc/32/08/14/1068320814.db2.gz MXMVGMCPXKMCGJ-SJORKVTESA-N 0 0 450.826 4.817 20 0 JJADRN CN(CCN(Cc1ccccc1)S(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC001463210545 1068321331 /nfs/dbraw/zinc/32/13/31/1068321331.db2.gz JDGLWUUJCZNNIV-UHFFFAOYSA-N 0 0 451.617 4.619 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@H](Cc2ccccc2)OC)cc1 ZINC001463212210 1068321745 /nfs/dbraw/zinc/32/17/45/1068321745.db2.gz DFRTWLSQCNUWQQ-RDPSFJRHSA-N 0 0 453.604 4.943 20 0 JJADRN COc1ccc(O[C@@H](C)CNS(=O)(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)cc1 ZINC001463211788 1068321808 /nfs/dbraw/zinc/32/18/08/1068321808.db2.gz CJFXXXNLWLDNAI-FQEVSTJZSA-N 0 0 455.576 4.637 20 0 JJADRN COc1ccc(O[C@H](C)CNS(=O)(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)cc1 ZINC001463211795 1068321941 /nfs/dbraw/zinc/32/19/41/1068321941.db2.gz CJFXXXNLWLDNAI-HXUWFJFHSA-N 0 0 455.576 4.637 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)Oc2cccc(Br)c2)c1Cl ZINC001463211845 1068321976 /nfs/dbraw/zinc/32/19/76/1068321976.db2.gz COQPBBBACTYCEY-NSHDSACASA-N 0 0 453.185 4.810 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)n1 ZINC001463212770 1068322317 /nfs/dbraw/zinc/32/23/17/1068322317.db2.gz QYIUZXFTPYWDQL-RKDXNWHRSA-N 0 0 450.230 4.619 20 0 JJADRN CCCN([C@@H]1C[C@@H](OCC)C12CCCCC2)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001463214966 1068322849 /nfs/dbraw/zinc/32/28/49/1068322849.db2.gz BIBVFXNTRNUTEM-NHCUHLMSSA-N 0 0 457.036 4.827 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC001463219744 1068323999 /nfs/dbraw/zinc/32/39/99/1068323999.db2.gz JFSYSDWOWKCHFW-HXUWFJFHSA-N 0 0 453.507 4.902 20 0 JJADRN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(I)cc1 ZINC001463221272 1068324456 /nfs/dbraw/zinc/32/44/56/1068324456.db2.gz FTSOESGPEZVKJW-IERDGZPVSA-N 0 0 456.327 4.890 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c(Cl)c1 ZINC001463220477 1068324500 /nfs/dbraw/zinc/32/45/00/1068324500.db2.gz MVTQNXRBCYFPJN-OAHLLOKOSA-N 0 0 459.951 4.842 20 0 JJADRN CSc1cccc([C@@H](NS(=O)(=O)c2cc3c[nH]nc3cc2C)c2cc(F)ccc2F)c1 ZINC001463221798 1068324537 /nfs/dbraw/zinc/32/45/37/1068324537.db2.gz PYGDXZVKHZNWHM-JOCHJYFZSA-N 0 0 459.543 4.939 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001463221392 1068324704 /nfs/dbraw/zinc/32/47/04/1068324704.db2.gz GOOAHOKUDALXRX-ISKFKSNPSA-N 0 0 462.615 4.901 20 0 JJADRN CS(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)cc1F ZINC001463223157 1068325106 /nfs/dbraw/zinc/32/51/06/1068325106.db2.gz WNXYWRYQMHSKRN-CTNGQTDRSA-N 0 0 457.633 4.521 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C[C@H]2CCCC(C)(C)O2)cc1 ZINC001463222452 1068325368 /nfs/dbraw/zinc/32/53/68/1068325368.db2.gz IVLKXSFMYMRDEL-HXUWFJFHSA-N 0 0 451.972 4.673 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 ZINC001463222696 1068325406 /nfs/dbraw/zinc/32/54/06/1068325406.db2.gz UXGDRZMNHDPGRO-MRXNPFEDSA-N 0 0 457.523 4.636 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)cc1 ZINC001463222447 1068325463 /nfs/dbraw/zinc/32/54/63/1068325463.db2.gz IVLKXSFMYMRDEL-FQEVSTJZSA-N 0 0 451.972 4.673 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC001463224034 1068325899 /nfs/dbraw/zinc/32/58/99/1068325899.db2.gz ZKGXHBJMJBAZQY-UQASEVPWSA-N 0 0 457.514 4.843 20 0 JJADRN CCC1(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)CC1 ZINC001546137354 1068326079 /nfs/dbraw/zinc/32/60/79/1068326079.db2.gz OZZNMDZNGSYISH-KRWDZBQOSA-N 0 0 478.588 4.934 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1cccc(Cl)c1 ZINC001463231057 1068328788 /nfs/dbraw/zinc/32/87/88/1068328788.db2.gz QEICXEOJKPPNDV-QGZVFWFLSA-N 0 0 452.725 4.867 20 0 JJADRN CC1(C)CCC[C@@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)O1 ZINC001463231955 1068329333 /nfs/dbraw/zinc/32/93/33/1068329333.db2.gz JLWMUHBCDLBONZ-FQEVSTJZSA-N 0 0 459.384 4.708 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC001463235496 1068330500 /nfs/dbraw/zinc/33/05/00/1068330500.db2.gz UERAEBLSRCXBLX-QFIPXVFZSA-N 0 0 456.542 4.807 20 0 JJADRN CSc1cc(C(=O)N2CC(=O)N(C)c3cc(C(F)(F)F)ccc32)ccc1Br ZINC001463238229 1068331402 /nfs/dbraw/zinc/33/14/02/1068331402.db2.gz FKXHOKQBRMYYAK-UHFFFAOYSA-N 0 0 459.287 4.813 20 0 JJADRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC001463238455 1068331422 /nfs/dbraw/zinc/33/14/22/1068331422.db2.gz MHXGYDQJQQGCLQ-DEOSSOPVSA-N 0 0 450.539 4.515 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001463239588 1068332071 /nfs/dbraw/zinc/33/20/71/1068332071.db2.gz MRTUSHYDONTMLI-GOSISDBHSA-N 0 0 458.805 4.515 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1C ZINC001463246371 1068333234 /nfs/dbraw/zinc/33/32/34/1068333234.db2.gz DASMXSUXCIKRDR-OAQYLSRUSA-N 0 0 459.955 4.632 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)NCCC3CCN(CC(F)(F)F)CC3)cc2)c1 ZINC001463246048 1068333274 /nfs/dbraw/zinc/33/32/74/1068333274.db2.gz BOPABEGELKCFBK-UHFFFAOYSA-N 0 0 456.530 4.730 20 0 JJADRN CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)/C=C\c2cccc(OC3CCCC3)c2)C1 ZINC001463247726 1068334018 /nfs/dbraw/zinc/33/40/18/1068334018.db2.gz ZDRVVGNGPNKOIL-QXMHVHEDSA-N 0 0 452.555 4.648 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)Oc1cccc(F)c1 ZINC001463247594 1068334032 /nfs/dbraw/zinc/33/40/32/1068334032.db2.gz BCLIEQHUFBUHEN-GFCCVEGCSA-N 0 0 454.720 4.517 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1 ZINC001463250042 1068334324 /nfs/dbraw/zinc/33/43/24/1068334324.db2.gz NOSWWLMWFADASJ-QHCPKHFHSA-N 0 0 459.518 4.509 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccccc1OCCOc1ccccc1 ZINC001463255720 1068336487 /nfs/dbraw/zinc/33/64/87/1068336487.db2.gz YHWYPNDIRWTKFS-UHFFFAOYSA-N 0 0 458.489 4.746 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)NCCOC4CCSCC4)c23)cc1 ZINC001463257444 1068337109 /nfs/dbraw/zinc/33/71/09/1068337109.db2.gz LPZMFIJEILXRBG-UHFFFAOYSA-N 0 0 459.662 4.787 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001463262572 1068337642 /nfs/dbraw/zinc/33/76/42/1068337642.db2.gz OCMWVAGXLLVTLZ-HIFRSBDPSA-N 0 0 458.805 4.753 20 0 JJADRN Cc1ccc(I)c(OS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001463263444 1068338231 /nfs/dbraw/zinc/33/82/31/1068338231.db2.gz LIPSZVIPTPQWKT-UHFFFAOYSA-N 0 0 457.116 4.815 20 0 JJADRN CSc1ccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1Cl ZINC001463262904 1068338404 /nfs/dbraw/zinc/33/84/04/1068338404.db2.gz KSSQHVYLHNMBLL-LJQANCHMSA-N 0 0 454.404 4.915 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC001463264422 1068338711 /nfs/dbraw/zinc/33/87/11/1068338711.db2.gz BNTLEKIZTNVRSA-SFHVURJKSA-N 0 0 455.580 4.659 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)c(F)cc1Cl ZINC001463264671 1068339578 /nfs/dbraw/zinc/33/95/78/1068339578.db2.gz YPSFOPDVDANXGV-DOTOQJQBSA-N 0 0 453.963 4.860 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(F)cc1F ZINC001463271804 1068340406 /nfs/dbraw/zinc/34/04/06/1068340406.db2.gz DQCLABUKVKVCQQ-NRFANRHFSA-N 0 0 456.399 4.683 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3(OC)CCCCCC3)C2)c2ccccc12 ZINC001463271708 1068340511 /nfs/dbraw/zinc/34/05/11/1068340511.db2.gz LOHJNHJZCXOHGX-FQEVSTJZSA-N 0 0 452.595 4.556 20 0 JJADRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC001463272491 1068341028 /nfs/dbraw/zinc/34/10/28/1068341028.db2.gz CGVFQWFILWPVGE-UHFFFAOYSA-N 0 0 450.771 4.733 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)c1ccc(C(F)(F)F)cc1 ZINC001463278850 1068342660 /nfs/dbraw/zinc/34/26/60/1068342660.db2.gz HGSRGMREDOOJNC-HNNXBMFYSA-N 0 0 453.486 4.811 20 0 JJADRN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC001463280158 1068343018 /nfs/dbraw/zinc/34/30/18/1068343018.db2.gz NQGHAOKQEHDSAY-ZPMCFJSWSA-N 0 0 456.608 4.659 20 0 JJADRN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC001463280129 1068343070 /nfs/dbraw/zinc/34/30/70/1068343070.db2.gz NQGHAOKQEHDSAY-BULFRSBZSA-N 0 0 456.608 4.659 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCc2csc(CCc3ccccc3)n2)s1 ZINC001463282743 1068343525 /nfs/dbraw/zinc/34/35/25/1068343525.db2.gz FCTZLGUWWJMNPG-UHFFFAOYSA-N 0 0 457.440 4.539 20 0 JJADRN O=C(Nc1nc2c(cc(F)cc2Br)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001463282545 1068343653 /nfs/dbraw/zinc/34/36/53/1068343653.db2.gz AASYHCVNOJLCPN-UHFFFAOYSA-N 0 0 452.696 4.684 20 0 JJADRN COc1ccsc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463282209 1068343800 /nfs/dbraw/zinc/34/38/00/1068343800.db2.gz ARKHQEXBKNJLHZ-JTQLQIEISA-N 0 0 459.412 4.682 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)cc2c1C ZINC001463285224 1068343947 /nfs/dbraw/zinc/34/39/47/1068343947.db2.gz MCZVYJDHVMOOIQ-KRWDZBQOSA-N 0 0 456.564 4.558 20 0 JJADRN COc1cccc(Br)c1OS(=O)(=O)c1cc(Br)ccc1Cl ZINC001463283804 1068344110 /nfs/dbraw/zinc/34/41/10/1068344110.db2.gz ZZMPFAGPEZMJPM-UHFFFAOYSA-N 0 0 456.539 4.641 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 ZINC001546137770 1068344738 /nfs/dbraw/zinc/34/47/38/1068344738.db2.gz DHHNCZLWBMUVDA-QVKFZJNVSA-N 0 0 458.484 4.886 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(cccc4OCC(F)(F)F)s3)c2O1 ZINC001463291108 1068346310 /nfs/dbraw/zinc/34/63/10/1068346310.db2.gz WNZWDVAZUGMHED-UHFFFAOYSA-N 0 0 452.454 4.968 20 0 JJADRN Cc1cccnc1[C@H](NC(=O)CCOc1ccccc1I)C(C)(C)C ZINC001463290473 1068346457 /nfs/dbraw/zinc/34/64/57/1068346457.db2.gz OMUXZRYVIJGJHT-IBGZPJMESA-N 0 0 452.336 4.667 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c(Br)c1 ZINC001463293609 1068347390 /nfs/dbraw/zinc/34/73/90/1068347390.db2.gz MYCVGYUKQWJFJW-FQEVSTJZSA-N 0 0 450.329 4.665 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC001463294034 1068347460 /nfs/dbraw/zinc/34/74/60/1068347460.db2.gz MCNDSOPFXOIJCD-OAHLLOKOSA-N 0 0 453.029 4.836 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1OC(C)C ZINC001463294686 1068348007 /nfs/dbraw/zinc/34/80/07/1068348007.db2.gz PBMDCKZBULBPOV-QGZVFWFLSA-N 0 0 457.999 4.953 20 0 JJADRN C[C@@H]1N(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCOC1(C)C ZINC001463298236 1068349236 /nfs/dbraw/zinc/34/92/36/1068349236.db2.gz VBZJLOYHTSTWOM-ZDUSSCGKSA-N 0 0 458.349 4.569 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccccc1SC(F)(F)F ZINC001463303218 1068350141 /nfs/dbraw/zinc/35/01/41/1068350141.db2.gz CBSTXBRKERPLGF-KXBFYZLASA-N 0 0 450.526 4.914 20 0 JJADRN CCCCC1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)CC1 ZINC001463304493 1068350451 /nfs/dbraw/zinc/35/04/51/1068350451.db2.gz KIJSPLMHAKQGLC-UHFFFAOYSA-N 0 0 450.988 4.626 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001463306006 1068351131 /nfs/dbraw/zinc/35/11/31/1068351131.db2.gz JECTWEKYYAJZJR-ZDUSSCGKSA-N 0 0 458.930 4.721 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1Cl ZINC001463305262 1068351158 /nfs/dbraw/zinc/35/11/58/1068351158.db2.gz ZWALJNAXPZYMMZ-UHFFFAOYSA-N 0 0 458.967 4.773 20 0 JJADRN O=C(NCC[C@H]1CCC(F)(F)C1)c1cc(I)ccc1Br ZINC001463308519 1068351691 /nfs/dbraw/zinc/35/16/91/1068351691.db2.gz SZSQMTPVBXMRET-SECBINFHSA-N 0 0 458.084 4.609 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC001463311857 1068352044 /nfs/dbraw/zinc/35/20/44/1068352044.db2.gz WLVMZJDUHPDKMF-KRWDZBQOSA-N 0 0 451.516 4.882 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2OC(C)C)c1 ZINC001463314843 1068352885 /nfs/dbraw/zinc/35/28/85/1068352885.db2.gz OBXVFIBDFREIAH-HSZRJFAPSA-N 0 0 457.567 4.846 20 0 JJADRN COCCOc1ccc(C(=O)Nc2ccc(Br)cc2OC(F)F)c(Cl)c1 ZINC001463314574 1068353360 /nfs/dbraw/zinc/35/33/60/1068353360.db2.gz ACRFMOSFHAXUDK-UHFFFAOYSA-N 0 0 450.663 4.981 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3ccc(=O)n(Cc4cccc(Cl)c4)c3)cs2)cc1 ZINC001463316495 1068353724 /nfs/dbraw/zinc/35/37/24/1068353724.db2.gz DCKVYNXGMITZBU-UHFFFAOYSA-N 0 0 451.935 4.934 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463316452 1068353803 /nfs/dbraw/zinc/35/38/03/1068353803.db2.gz DXJKVGSKEZZEKE-IBGZPJMESA-N 0 0 451.773 4.707 20 0 JJADRN CCOc1ccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c(C(=O)OC)c1F ZINC001463316361 1068353861 /nfs/dbraw/zinc/35/38/61/1068353861.db2.gz CPPURSIBVADJPU-UHFFFAOYSA-N 0 0 450.438 4.973 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c(C(=O)OC)c1F ZINC001463320065 1068354922 /nfs/dbraw/zinc/35/49/22/1068354922.db2.gz MZRYEWYESUDXHN-UHFFFAOYSA-N 0 0 453.894 4.960 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCCOc1ccc2ccccc2c1 ZINC001463321302 1068355448 /nfs/dbraw/zinc/35/54/48/1068355448.db2.gz JPBWBUYIYPSSMS-UHFFFAOYSA-N 0 0 456.951 4.797 20 0 JJADRN CCOc1cc(C)ccc1CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463321405 1068355527 /nfs/dbraw/zinc/35/55/27/1068355527.db2.gz MMCMAGSCBHXMSM-UHFFFAOYSA-N 0 0 453.185 4.942 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC001463322463 1068356093 /nfs/dbraw/zinc/35/60/93/1068356093.db2.gz KUVKMNBKQISWGC-UHFFFAOYSA-N 0 0 456.377 4.776 20 0 JJADRN O=S(=O)(NCCOc1ccc(C(F)(F)F)cn1)c1cccc(Sc2ccccc2)c1 ZINC001463324233 1068356540 /nfs/dbraw/zinc/35/65/40/1068356540.db2.gz MDCACKKPVPXQNX-UHFFFAOYSA-N 0 0 454.495 4.609 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001463326673 1068357456 /nfs/dbraw/zinc/35/74/56/1068357456.db2.gz MEJRNHMXZCITHN-HXUWFJFHSA-N 0 0 454.542 4.738 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N1CCCc3cc(CCNC(=O)OC(C)(C)C)ccc31)CC2 ZINC001463328184 1068357651 /nfs/dbraw/zinc/35/76/51/1068357651.db2.gz NRBKFXLOMQURTI-NRFANRHFSA-N 0 0 450.579 4.772 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC001463328195 1068358247 /nfs/dbraw/zinc/35/82/47/1068358247.db2.gz YSMPZVOVWNDWDV-MRXNPFEDSA-N 0 0 458.609 4.723 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)ccc2C)cc1Br ZINC001463332177 1068359289 /nfs/dbraw/zinc/35/92/89/1068359289.db2.gz XWRBSZPRYQDMDZ-FQEVSTJZSA-N 0 0 451.386 4.550 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)nc1C ZINC001463336638 1068361246 /nfs/dbraw/zinc/36/12/46/1068361246.db2.gz URKCZEURVXTMPN-UHFFFAOYSA-N 0 0 459.296 4.672 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)nc1C ZINC001463338588 1068361264 /nfs/dbraw/zinc/36/12/64/1068361264.db2.gz ZZTWNTFJKRLBLX-UHFFFAOYSA-N 0 0 451.548 4.760 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463338675 1068361691 /nfs/dbraw/zinc/36/16/91/1068361691.db2.gz WNASRDUAAZUJMX-JOCHJYFZSA-N 0 0 457.534 4.905 20 0 JJADRN O=S(=O)(N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(Cl)c2nonc21 ZINC001463339092 1068361727 /nfs/dbraw/zinc/36/17/27/1068361727.db2.gz UGSUQOLTEACYDX-QGZVFWFLSA-N 0 0 452.294 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC001463340464 1068362547 /nfs/dbraw/zinc/36/25/47/1068362547.db2.gz WSIGZVFJIDAJEE-UHFFFAOYSA-N 0 0 459.974 4.833 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)cc1OC ZINC001463341291 1068362962 /nfs/dbraw/zinc/36/29/62/1068362962.db2.gz CLDLUJSVILNUJV-HXUWFJFHSA-N 0 0 456.004 4.746 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c(C)c1 ZINC001463345106 1068364597 /nfs/dbraw/zinc/36/45/97/1068364597.db2.gz QBFVSIMHCGOJOZ-UHFFFAOYSA-N 0 0 452.414 4.899 20 0 JJADRN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001463345777 1068364974 /nfs/dbraw/zinc/36/49/74/1068364974.db2.gz RYFJICRSJVGWEA-QFUCXCTJSA-N 0 0 459.505 4.658 20 0 JJADRN COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463346133 1068365680 /nfs/dbraw/zinc/36/56/80/1068365680.db2.gz UZLODHAHCYZFMN-FKJIZOQDSA-N 0 0 453.482 4.506 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)c3cc4ccccc4cc3C(=O)OC)CC2)cc1 ZINC001463348331 1068366233 /nfs/dbraw/zinc/36/62/33/1068366233.db2.gz KVHGGZBLWUJJMZ-UHFFFAOYSA-N 0 0 451.544 4.503 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cnc1Cl ZINC001463350472 1068367596 /nfs/dbraw/zinc/36/75/96/1068367596.db2.gz KILWZNICYCARHQ-MRXNPFEDSA-N 0 0 453.008 4.508 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001463354078 1068367950 /nfs/dbraw/zinc/36/79/50/1068367950.db2.gz GMILCNVSGPLLHO-CYBMUJFWSA-N 0 0 458.393 4.804 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc1 ZINC001463353348 1068368097 /nfs/dbraw/zinc/36/80/97/1068368097.db2.gz DRSBSCKLYKRTHC-HNNXBMFYSA-N 0 0 458.393 4.923 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc(OCc3ccccc3)ccc2O)CC1 ZINC001546138346 1068368146 /nfs/dbraw/zinc/36/81/46/1068368146.db2.gz XPBUEUGKDCAVIK-UHFFFAOYSA-N 0 0 454.567 4.738 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)N1CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC1)C2 ZINC001463355461 1068368922 /nfs/dbraw/zinc/36/89/22/1068368922.db2.gz IBDJALDYPODZBZ-GGAORHGYSA-N 0 0 456.627 4.684 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463355576 1068368939 /nfs/dbraw/zinc/36/89/39/1068368939.db2.gz ACOYCDPKPAADFT-ROUUACIJSA-N 0 0 455.462 4.607 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463355572 1068368959 /nfs/dbraw/zinc/36/89/59/1068368959.db2.gz ACOYCDPKPAADFT-QZTJIDSGSA-N 0 0 455.462 4.607 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)N1CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC1)C2 ZINC001463355465 1068369009 /nfs/dbraw/zinc/36/90/09/1068369009.db2.gz IBDJALDYPODZBZ-GMAHTHKFSA-N 0 0 456.627 4.684 20 0 JJADRN C[C@@]1(CS(=O)(=O)NCC2(c3cccc(Br)c3)CCCC2)CC1(Cl)Cl ZINC001463355798 1068369085 /nfs/dbraw/zinc/36/90/85/1068369085.db2.gz DMJCHJWUILBVBM-HNNXBMFYSA-N 0 0 455.245 4.764 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc(F)c1Cl ZINC001463356352 1068369579 /nfs/dbraw/zinc/36/95/79/1068369579.db2.gz OROQVSIWTYOBHT-FQEVSTJZSA-N 0 0 459.823 4.872 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)Oc2cc(NC(=O)OC(C)(C)C)ccc2C)c(Cl)c1 ZINC001463357291 1068369769 /nfs/dbraw/zinc/36/97/69/1068369769.db2.gz ROBGGNPGPBSYRU-UHFFFAOYSA-N 0 0 455.916 4.550 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N1CCC[C@@H](c3nc(C(F)(F)F)cs3)C1)=C2 ZINC001463357868 1068370096 /nfs/dbraw/zinc/37/00/96/1068370096.db2.gz JMKIOGHHOMQGAW-OAHLLOKOSA-N 0 0 458.527 4.667 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc(F)c1Cl ZINC001463359786 1068370591 /nfs/dbraw/zinc/37/05/91/1068370591.db2.gz WYDUGYUOXYPTNT-SFHVURJKSA-N 0 0 450.894 4.545 20 0 JJADRN O=S(=O)(NCCc1cccc(OCc2ccccc2)c1)c1csc(-c2ccccc2)n1 ZINC001463359222 1068370626 /nfs/dbraw/zinc/37/06/26/1068370626.db2.gz VPQMLMQZRRSUJX-UHFFFAOYSA-N 0 0 450.585 4.910 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)Cc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463359999 1068371407 /nfs/dbraw/zinc/37/14/07/1068371407.db2.gz RPUKCSWKYAKAPW-ZBKJKTKLSA-N 0 0 457.574 4.630 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001463366965 1068373567 /nfs/dbraw/zinc/37/35/67/1068373567.db2.gz FAHXQYUXVNIJNO-NHCUHLMSSA-N 0 0 459.631 4.598 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)[C@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)c1 ZINC001463367894 1068374015 /nfs/dbraw/zinc/37/40/15/1068374015.db2.gz OUOXQAVPVUOTAT-JOCHJYFZSA-N 0 0 450.362 4.669 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)SCc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC001463367821 1068374311 /nfs/dbraw/zinc/37/43/11/1068374311.db2.gz RTOVLROLFUXJRV-CQSZACIVSA-N 0 0 456.951 4.993 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C2 ZINC001463371038 1068375316 /nfs/dbraw/zinc/37/53/16/1068375316.db2.gz IXZUDHWAFDDQBJ-AHWVRZQESA-N 0 0 456.586 4.929 20 0 JJADRN CCC1(CC)CN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)c2ccccc21 ZINC001463374164 1068376013 /nfs/dbraw/zinc/37/60/13/1068376013.db2.gz FRNRHXOLRDDTLP-UHFFFAOYSA-N 0 0 452.370 4.502 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001463374228 1068376193 /nfs/dbraw/zinc/37/61/93/1068376193.db2.gz NIUDCZJNMHKDFC-LJQANCHMSA-N 0 0 459.486 4.566 20 0 JJADRN Cc1c(Br)cncc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463376224 1068376791 /nfs/dbraw/zinc/37/67/91/1068376791.db2.gz DLYJFOWAFZSHMB-UHFFFAOYSA-N 0 0 454.699 4.742 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC001463377084 1068377118 /nfs/dbraw/zinc/37/71/18/1068377118.db2.gz UTVOKJSOQFSGAD-XOTWJMMUSA-N 0 0 454.489 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC001463377141 1068377140 /nfs/dbraw/zinc/37/71/40/1068377140.db2.gz VJNCUBBIXBTXMV-HJPURHCSSA-N 0 0 462.015 4.907 20 0 JJADRN CN(C(=O)OCc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001463377413 1068377350 /nfs/dbraw/zinc/37/73/50/1068377350.db2.gz VJLFETDUAQMDBL-JWTNVVGKSA-N 0 0 453.377 4.948 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)c2cccc(Cl)c2)cc1 ZINC001463379665 1068377665 /nfs/dbraw/zinc/37/76/65/1068377665.db2.gz ALULCLXDZLOOST-VABKMULXSA-N 0 0 450.000 4.705 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001463379617 1068377775 /nfs/dbraw/zinc/37/77/75/1068377775.db2.gz ITFRWRYELALYFQ-ZIAGYGMSSA-N 0 0 458.889 4.537 20 0 JJADRN Cn1ncc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1C(F)(F)F ZINC001463380578 1068377923 /nfs/dbraw/zinc/37/79/23/1068377923.db2.gz GNYLXWSVNHFFQX-UHFFFAOYSA-N 0 0 455.424 4.596 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463380750 1068378217 /nfs/dbraw/zinc/37/82/17/1068378217.db2.gz GPZNEUUHNOOUKS-RNODOKPDSA-N 0 0 452.345 4.532 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)C(=O)c1ccc2c(c1)CCC2)C(F)(F)F ZINC001463387441 1068380975 /nfs/dbraw/zinc/38/09/75/1068380975.db2.gz BERYSKBAOBEKAB-NRFANRHFSA-N 0 0 455.480 4.623 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC001463389588 1068381767 /nfs/dbraw/zinc/38/17/67/1068381767.db2.gz KZNXRZROLFMSAX-JTQLQIEISA-N 0 0 451.155 4.732 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1cc(C)nc2ccc(Br)cc21 ZINC001463393552 1068382260 /nfs/dbraw/zinc/38/22/60/1068382260.db2.gz ORKJCFUJIAZVHV-UHFFFAOYSA-N 0 0 453.336 4.994 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)C(F)(F)F ZINC001463393467 1068382338 /nfs/dbraw/zinc/38/23/38/1068382338.db2.gz HBIMLPXSHBPBHU-RBBKRZOGSA-N 0 0 457.496 4.872 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)C(F)(F)F ZINC001463393448 1068382565 /nfs/dbraw/zinc/38/25/65/1068382565.db2.gz HBIMLPXSHBPBHU-IRLDBZIGSA-N 0 0 457.496 4.872 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3Cl)C2)cc1 ZINC001463395059 1068382811 /nfs/dbraw/zinc/38/28/11/1068382811.db2.gz LXQUOPBXALEYSY-KRWDZBQOSA-N 0 0 457.821 4.700 20 0 JJADRN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@H]3C)ccc21 ZINC001463400744 1068385047 /nfs/dbraw/zinc/38/50/47/1068385047.db2.gz GISSAIWXSRTREX-CYBMUJFWSA-N 0 0 453.391 4.601 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402035 1068385495 /nfs/dbraw/zinc/38/54/95/1068385495.db2.gz XGZNQANJQSFCAL-YKSBVNFPSA-N 0 0 453.535 4.752 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405109 1068385833 /nfs/dbraw/zinc/38/58/33/1068385833.db2.gz ADSOWZOAVZKRMQ-MEBBXXQBSA-N 0 0 453.185 4.810 20 0 JJADRN CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@H]3C)cc2C[C@@H]1C ZINC001463407636 1068386430 /nfs/dbraw/zinc/38/64/30/1068386430.db2.gz YKTNKZNGZZKVFN-QWHCGFSZSA-N 0 0 453.391 4.599 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NCC2(C)CCCCCC2)c(Br)cc1Cl ZINC001463405863 1068386506 /nfs/dbraw/zinc/38/65/06/1068386506.db2.gz CSKSSUWWVBKWQQ-UHFFFAOYSA-N 0 0 452.798 4.528 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1OC ZINC001463410050 1068387586 /nfs/dbraw/zinc/38/75/86/1068387586.db2.gz ILBSWNPJFKDMSE-RDTXWAMCSA-N 0 0 456.967 4.661 20 0 JJADRN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001463410981 1068388766 /nfs/dbraw/zinc/38/87/66/1068388766.db2.gz KVURYIPESHXNHH-HNNXBMFYSA-N 0 0 455.407 4.779 20 0 JJADRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463411734 1068388781 /nfs/dbraw/zinc/38/87/81/1068388781.db2.gz YQAJSFYRLWAXSB-XMMPIXPASA-N 0 0 457.567 4.882 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463412259 1068389118 /nfs/dbraw/zinc/38/91/18/1068389118.db2.gz OXJBMJKHFBALJL-OYHNWAKOSA-N 0 0 453.988 4.582 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)c1 ZINC001463413142 1068389683 /nfs/dbraw/zinc/38/96/83/1068389683.db2.gz PFJBXRQTOTZOFD-UHFFFAOYSA-N 0 0 459.999 4.777 20 0 JJADRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463414039 1068390285 /nfs/dbraw/zinc/39/02/85/1068390285.db2.gz XQDOBKZIGUZNIP-PIGZYNQJSA-N 0 0 450.757 4.605 20 0 JJADRN O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)Oc1cccc(Oc2cccnc2)c1 ZINC001463422352 1068392043 /nfs/dbraw/zinc/39/20/43/1068392043.db2.gz LGDMDPBIFZJRHJ-LJAQVGFWSA-N 0 0 458.439 4.544 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)n1C ZINC001463422190 1068392088 /nfs/dbraw/zinc/39/20/88/1068392088.db2.gz JQCLEERDIPMTRD-IBGZPJMESA-N 0 0 455.942 4.807 20 0 JJADRN CC1CCC2(CC1)OC[C@H](CNS(=O)(=O)c1ccc(Oc3ccc(Cl)cc3)cc1)O2 ZINC001463421029 1068392231 /nfs/dbraw/zinc/39/22/31/1068392231.db2.gz AVUOKJDVSUXXPW-BRFBUHTJSA-N 0 0 451.972 4.732 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001463424403 1068392668 /nfs/dbraw/zinc/39/26/68/1068392668.db2.gz WRSWZHOPIMCUDT-UHFFFAOYSA-N 0 0 452.414 4.929 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)n1C ZINC001463422975 1068392701 /nfs/dbraw/zinc/39/27/01/1068392701.db2.gz LPRKQIAXRWIYOQ-INIZCTEOSA-N 0 0 459.757 4.905 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)cc1 ZINC001463425412 1068393279 /nfs/dbraw/zinc/39/32/79/1068393279.db2.gz SMFVZOFSNYFRBZ-JOCHJYFZSA-N 0 0 454.567 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)CSCc3ccc(C(C)(C)C)cc3)c2C1 ZINC001463428830 1068394353 /nfs/dbraw/zinc/39/43/53/1068394353.db2.gz AMRZCVSPOGLAGR-UHFFFAOYSA-N 0 0 459.612 4.770 20 0 JJADRN Cc1nc([C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c2ccc(Cl)cc2)no1 ZINC001463430927 1068394757 /nfs/dbraw/zinc/39/47/57/1068394757.db2.gz ZNIGRQBVYVAZOP-QGZVFWFLSA-N 0 0 454.360 4.967 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001463431674 1068395059 /nfs/dbraw/zinc/39/50/59/1068395059.db2.gz FEWKNPQFUGBEAW-OAHLLOKOSA-N 0 0 455.393 4.533 20 0 JJADRN Cc1ccc(CCS(=O)(=O)Oc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001463434093 1068396103 /nfs/dbraw/zinc/39/61/03/1068396103.db2.gz KJFNYDAFKBCJFD-UHFFFAOYSA-N 0 0 457.592 4.971 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCOC[C@H]3CC(=O)c3cccs3)cc2)c1 ZINC001463436217 1068397265 /nfs/dbraw/zinc/39/72/65/1068397265.db2.gz NWXJAHQYJSZNTK-GOSISDBHSA-N 0 0 457.573 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC001463436818 1068397325 /nfs/dbraw/zinc/39/73/25/1068397325.db2.gz KRQPUVQBDHWUOB-LJQANCHMSA-N 0 0 457.615 4.972 20 0 JJADRN COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001463436297 1068397371 /nfs/dbraw/zinc/39/73/71/1068397371.db2.gz XVWBLEHHMYFIQT-VQIMIIECSA-N 0 0 455.498 4.887 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)c2=O)n1 ZINC001463441027 1068398235 /nfs/dbraw/zinc/39/82/35/1068398235.db2.gz WWUNDHZTVDIMIU-QHCPKHFHSA-N 0 0 453.542 4.655 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC001463440381 1068398279 /nfs/dbraw/zinc/39/82/79/1068398279.db2.gz UAWUZWBNLIABAF-PBXQCXKZSA-N 0 0 451.588 4.949 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)c(Br)c1 ZINC001463440541 1068398389 /nfs/dbraw/zinc/39/83/89/1068398389.db2.gz YOSBUJNNMNZHOU-JTQLQIEISA-N 0 0 453.185 4.674 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001463442845 1068398716 /nfs/dbraw/zinc/39/87/16/1068398716.db2.gz ZJIHCKMLOWGGQX-RTWAWAEBSA-N 0 0 452.396 4.919 20 0 JJADRN O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001463445239 1068399238 /nfs/dbraw/zinc/39/92/38/1068399238.db2.gz MJTWNCCEYAHRFP-CYBMUJFWSA-N 0 0 458.335 4.560 20 0 JJADRN COc1cc([C@@H](C)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)ccc1S(C)(=O)=O ZINC001463447268 1068399592 /nfs/dbraw/zinc/39/95/92/1068399592.db2.gz UNPJMLHMRAEPJQ-GOSISDBHSA-N 0 0 451.588 4.921 20 0 JJADRN O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001463445244 1068399637 /nfs/dbraw/zinc/39/96/37/1068399637.db2.gz MJTWNCCEYAHRFP-ZDUSSCGKSA-N 0 0 458.335 4.560 20 0 JJADRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001463448758 1068400330 /nfs/dbraw/zinc/40/03/30/1068400330.db2.gz RJWQKUHYHVVMNK-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN O=S(=O)(Oc1ccc(Br)cc1C(F)(F)F)c1ccc(Br)o1 ZINC001463449306 1068400399 /nfs/dbraw/zinc/40/03/99/1068400399.db2.gz BVGRPSURKJLFEK-UHFFFAOYSA-N 0 0 450.026 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)C3(Cc4ccc(Cl)cc4)CC3)n2)C1 ZINC001463450519 1068401013 /nfs/dbraw/zinc/40/10/13/1068401013.db2.gz BMGWLNXUSGTCKW-KRWDZBQOSA-N 0 0 456.974 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC001463452093 1068402056 /nfs/dbraw/zinc/40/20/56/1068402056.db2.gz IJVLNFZYCFWTAA-UHFFFAOYSA-N 0 0 455.399 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)CC3CCC(C(F)(F)F)CC3)n2)C1 ZINC001463453502 1068402985 /nfs/dbraw/zinc/40/29/85/1068402985.db2.gz LRTIJBXPZGUCKF-HWOWSKLDSA-N 0 0 456.509 4.898 20 0 JJADRN Cc1sc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)nc1Br ZINC001463453583 1068403046 /nfs/dbraw/zinc/40/30/46/1068403046.db2.gz PGQOUUDTJXZIDP-UHFFFAOYSA-N 0 0 457.353 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3cccc(C(F)(F)F)c3F)n2)C1 ZINC001463454313 1068403460 /nfs/dbraw/zinc/40/34/60/1068403460.db2.gz QFBQAFGXIIOUMY-GFCCVEGCSA-N 0 0 454.424 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 ZINC001463455904 1068404998 /nfs/dbraw/zinc/40/49/98/1068404998.db2.gz WWDZUYQRDRPLPX-INIZCTEOSA-N 0 0 451.552 4.577 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC[C@H](C)c2ccccc21 ZINC001463458062 1068405870 /nfs/dbraw/zinc/40/58/70/1068405870.db2.gz ZNIDZPLYHIJBEK-LMKMVOKYSA-N 0 0 452.938 4.835 20 0 JJADRN CC(C)c1ccc(CC2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)cc1 ZINC001463459851 1068406639 /nfs/dbraw/zinc/40/66/39/1068406639.db2.gz DOBLHVHGLQMVAT-UHFFFAOYSA-N 0 0 450.000 4.878 20 0 JJADRN Cc1cccc(CS(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001463462492 1068407727 /nfs/dbraw/zinc/40/77/27/1068407727.db2.gz PYNVSOYHYGBHMD-QHCPKHFHSA-N 0 0 454.592 4.834 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCCC[C@]12CCCOC2 ZINC001463463581 1068408369 /nfs/dbraw/zinc/40/83/69/1068408369.db2.gz VXXRUXBZRXKHGY-LAUBAEHRSA-N 0 0 455.380 4.812 20 0 JJADRN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)Oc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC001463463927 1068408390 /nfs/dbraw/zinc/40/83/90/1068408390.db2.gz ZIJNBMLRXOAKMN-PZJWPPBQSA-N 0 0 457.573 4.918 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1 ZINC001463464212 1068409249 /nfs/dbraw/zinc/40/92/49/1068409249.db2.gz ALUKHBUTNKOZMF-QGZVFWFLSA-N 0 0 455.352 4.618 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OC(F)(F)F)cc1 ZINC001463467410 1068410911 /nfs/dbraw/zinc/41/09/11/1068410911.db2.gz DABWGUBADHYLRV-LJQANCHMSA-N 0 0 456.873 4.896 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c2ccccc2)c1 ZINC001463469751 1068411535 /nfs/dbraw/zinc/41/15/35/1068411535.db2.gz UITAQSAUZFEBCS-WTNAPCKOSA-N 0 0 462.512 4.846 20 0 JJADRN COc1ccc(-c2nc(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)cs2)cc1OC ZINC001463469428 1068411649 /nfs/dbraw/zinc/41/16/49/1068411649.db2.gz NZJPEHKXLIFXPT-FQEVSTJZSA-N 0 0 459.571 4.979 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(Br)cc(I)c1 ZINC001463470294 1068412274 /nfs/dbraw/zinc/41/22/74/1068412274.db2.gz DUMUENZRANGJIC-BBRMVZONSA-N 0 0 456.121 4.587 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001463471434 1068413014 /nfs/dbraw/zinc/41/30/14/1068413014.db2.gz LCPIWZMDWJSIOO-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1F ZINC001463477153 1068414220 /nfs/dbraw/zinc/41/42/20/1068414220.db2.gz QOAMHYDDXHDDTB-WMLDXEAASA-N 0 0 473.397 4.697 20 0 JJADRN COC(=O)[C@]1(CNC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCOC1 ZINC001463481473 1068415707 /nfs/dbraw/zinc/41/57/07/1068415707.db2.gz BAINBRYDHLJQLY-NRFANRHFSA-N 0 0 454.375 4.595 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c(C)c1 ZINC001463489723 1068417032 /nfs/dbraw/zinc/41/70/32/1068417032.db2.gz VQPPFFHNIWJGDA-FQEVSTJZSA-N 0 0 459.543 4.807 20 0 JJADRN O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001463489336 1068417175 /nfs/dbraw/zinc/41/71/75/1068417175.db2.gz ITUPMYHRJLWHKI-JLHYYAGUSA-N 0 0 456.789 4.946 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cc3ccccc3[nH]c2=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463487018 1068417229 /nfs/dbraw/zinc/41/72/29/1068417229.db2.gz RFXFCMSBGPDAHA-RTWAWAEBSA-N 0 0 481.980 4.861 20 0 JJADRN COc1ccccc1C1(CNS(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)CCC1 ZINC001463487609 1068417237 /nfs/dbraw/zinc/41/72/37/1068417237.db2.gz DABCSGPEFQCSHB-UHFFFAOYSA-N 0 0 455.551 4.814 20 0 JJADRN O=C(CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccccc1Cl ZINC001463490716 1068417689 /nfs/dbraw/zinc/41/76/89/1068417689.db2.gz MWRUGDSRTWUJPW-UHFFFAOYSA-N 0 0 457.560 4.571 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463490033 1068417711 /nfs/dbraw/zinc/41/77/11/1068417711.db2.gz CBNQRSOELLMILZ-REWPJTCUSA-N 0 0 457.636 4.931 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001463491604 1068417762 /nfs/dbraw/zinc/41/77/62/1068417762.db2.gz QDWWWTDIGIZXKI-UHFFFAOYSA-N 0 0 454.375 4.577 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NC[C@@H]3CCCc4cc(OC)ccc43)cc2)cc1 ZINC001463490040 1068417779 /nfs/dbraw/zinc/41/77/79/1068417779.db2.gz CCSZLJMGSAKVET-IBGZPJMESA-N 0 0 453.560 4.895 20 0 JJADRN O=C1c2ccc(S(=O)(=O)NC3CCC(c4ccc(F)cc4)CC3)cc2CC1(Cl)Cl ZINC001463493781 1068418471 /nfs/dbraw/zinc/41/84/71/1068418471.db2.gz XUSGMUNWOPDIQN-UHFFFAOYSA-N 0 0 456.366 4.743 20 0 JJADRN CC(C)(C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001463499233 1068419776 /nfs/dbraw/zinc/41/97/76/1068419776.db2.gz BEYAYPHDAMWSML-UHFFFAOYSA-N 0 0 454.297 4.881 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)cc1 ZINC001463500228 1068420468 /nfs/dbraw/zinc/42/04/68/1068420468.db2.gz UIVNSFFCMIULSD-HXUWFJFHSA-N 0 0 451.466 4.989 20 0 JJADRN CCN(C(=O)CCc1cc(Br)ccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463504907 1068421857 /nfs/dbraw/zinc/42/18/57/1068421857.db2.gz FPAYFYMKQBAUCB-QGZVFWFLSA-N 0 0 457.384 4.769 20 0 JJADRN CCN(C(=O)Cc1cc(Cl)ccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463506929 1068422558 /nfs/dbraw/zinc/42/25/58/1068422558.db2.gz JJRVXTMFKZVKSZ-INIZCTEOSA-N 0 0 459.812 4.893 20 0 JJADRN O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001463507272 1068423180 /nfs/dbraw/zinc/42/31/80/1068423180.db2.gz XWMJMUBSAMQTNM-GOSISDBHSA-N 0 0 456.873 4.669 20 0 JJADRN Cc1cc(OS(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)cc(C)c1Br ZINC001463508191 1068423234 /nfs/dbraw/zinc/42/32/34/1068423234.db2.gz DCZLDEGGWSTEHB-UHFFFAOYSA-N 0 0 458.761 4.762 20 0 JJADRN O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001463507274 1068423267 /nfs/dbraw/zinc/42/32/67/1068423267.db2.gz XWMJMUBSAMQTNM-SFHVURJKSA-N 0 0 456.873 4.669 20 0 JJADRN Cc1noc(C[C@H](NS(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c2ccccc2)n1 ZINC001463507743 1068423312 /nfs/dbraw/zinc/42/33/12/1068423312.db2.gz SYZRFZHFSQQRAC-NRFANRHFSA-N 0 0 451.548 4.581 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001546139569 1068423996 /nfs/dbraw/zinc/42/39/96/1068423996.db2.gz KYJIKKYIMNTVID-GAJHUEQPSA-N 0 0 451.567 4.607 20 0 JJADRN O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)cc1)N1CCO[C@H](COc2ccccc2)C1 ZINC001463512759 1068424612 /nfs/dbraw/zinc/42/46/12/1068424612.db2.gz OBCHXRBFZKTESR-QFIPXVFZSA-N 0 0 459.951 4.601 20 0 JJADRN O=S(=O)(Oc1cc(F)cc(I)c1)c1cc(Cl)sc1Cl ZINC001463514604 1068425227 /nfs/dbraw/zinc/42/52/27/1068425227.db2.gz SLBXAQJOEOXLEJ-UHFFFAOYSA-N 0 0 453.081 4.566 20 0 JJADRN O=C(N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463514023 1068425290 /nfs/dbraw/zinc/42/52/90/1068425290.db2.gz UKVRJBABCLBOHU-VQIMIIECSA-N 0 0 456.258 4.881 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Oc3cc(Br)ccc3Br)c2O1 ZINC001463515907 1068425984 /nfs/dbraw/zinc/42/59/84/1068425984.db2.gz XOCIIJHGGJBZFU-UHFFFAOYSA-N 0 0 456.130 4.910 20 0 JJADRN COc1cc(OC)cc(N(C)S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001463525830 1068427926 /nfs/dbraw/zinc/42/79/26/1068427926.db2.gz BCAQTPMEFKICSU-UHFFFAOYSA-N 0 0 455.157 4.598 20 0 JJADRN Cc1cc(C(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)ccc1N1CCOCC1 ZINC001463524695 1068428018 /nfs/dbraw/zinc/42/80/18/1068428018.db2.gz UXKUNANYRNGQQU-UHFFFAOYSA-N 0 0 451.567 4.772 20 0 JJADRN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527956 1068428763 /nfs/dbraw/zinc/42/87/63/1068428763.db2.gz NBFDPCADSOPXMG-ZVDOUQERSA-N 0 0 467.329 4.876 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001463527497 1068428780 /nfs/dbraw/zinc/42/87/80/1068428780.db2.gz LSWHOYZSAPZQPA-HXUWFJFHSA-N 0 0 455.318 4.623 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC001463528306 1068428800 /nfs/dbraw/zinc/42/88/00/1068428800.db2.gz PRCAPBRDSFUYJB-MRXNPFEDSA-N 0 0 459.262 4.537 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC001463526975 1068428812 /nfs/dbraw/zinc/42/88/12/1068428812.db2.gz FHLBVGOPSAJLMW-UHFFFAOYSA-N 0 0 459.768 4.563 20 0 JJADRN CCC(C)(C)CCS(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001463528638 1068428819 /nfs/dbraw/zinc/42/88/19/1068428819.db2.gz RULUNHACXMNILI-MRXNPFEDSA-N 0 0 456.406 4.792 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC001463531674 1068429468 /nfs/dbraw/zinc/42/94/68/1068429468.db2.gz UQDOUJZLMQQNOV-UHFFFAOYSA-N 0 0 455.805 4.565 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)c2ccccc2N1Cc1ccccc1 ZINC001463536005 1068432180 /nfs/dbraw/zinc/43/21/80/1068432180.db2.gz MHTKBRZKKMGAFZ-AWEZNQCLSA-N 0 0 450.457 4.847 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)c1cc(F)cc(Br)c1 ZINC001463536177 1068432219 /nfs/dbraw/zinc/43/22/19/1068432219.db2.gz LHKMBFYNZQUOKJ-CQSZACIVSA-N 0 0 456.255 4.758 20 0 JJADRN Cc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Br)c1Br ZINC001463538120 1068433038 /nfs/dbraw/zinc/43/30/38/1068433038.db2.gz KSRKNXZRAWJKMS-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001463539610 1068433885 /nfs/dbraw/zinc/43/38/85/1068433885.db2.gz XLPCDMUWDFFIDF-INIZCTEOSA-N 0 0 455.882 4.853 20 0 JJADRN O=C(Nc1cc(Cl)ccc1NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccco1 ZINC001463540290 1068434659 /nfs/dbraw/zinc/43/46/59/1068434659.db2.gz YEERFXCZCLLXDY-MRXNPFEDSA-N 0 0 458.301 4.830 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)o1 ZINC001463541617 1068435230 /nfs/dbraw/zinc/43/52/30/1068435230.db2.gz SUJCXCUGCXZPOZ-UHFFFAOYSA-N 0 0 451.527 4.542 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1OC ZINC001463543100 1068436035 /nfs/dbraw/zinc/43/60/35/1068436035.db2.gz LEZFMOAOOGJTEV-IBGZPJMESA-N 0 0 456.340 4.629 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1C ZINC001463543902 1068436056 /nfs/dbraw/zinc/43/60/56/1068436056.db2.gz VTSNERUPIYVVFJ-IBGZPJMESA-N 0 0 456.377 4.584 20 0 JJADRN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001463546227 1068437300 /nfs/dbraw/zinc/43/73/00/1068437300.db2.gz PKHOGCMVKOHCTP-UHFFFAOYSA-N 0 0 450.583 4.929 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc4ccccc4c3)cc2)C1 ZINC001463545799 1068437317 /nfs/dbraw/zinc/43/73/17/1068437317.db2.gz RZFNELOFZJCJSF-PMACEKPBSA-N 0 0 450.604 4.779 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)s2)cc1OC ZINC001463547616 1068438085 /nfs/dbraw/zinc/43/80/85/1068438085.db2.gz WECKVADEDRVJSL-QGZVFWFLSA-N 0 0 454.548 4.822 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001463551315 1068438936 /nfs/dbraw/zinc/43/89/36/1068438936.db2.gz GMTPEICNINMJMG-QGZVFWFLSA-N 0 0 457.583 4.977 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)Oc2cc(Cl)cc3cccnc32)C1)OCc1ccccc1 ZINC001463554432 1068439444 /nfs/dbraw/zinc/43/94/44/1068439444.db2.gz QANVJYZYCDBUDR-XLIONFOSSA-N 0 0 474.966 4.692 20 0 JJADRN O=S(=O)(CCCc1ccccc1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001463555957 1068440279 /nfs/dbraw/zinc/44/02/79/1068440279.db2.gz CZOHDBGRMHJQML-JOCHJYFZSA-N 0 0 459.409 4.680 20 0 JJADRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@@H]1Oc1ccccc1 ZINC001463557274 1068440829 /nfs/dbraw/zinc/44/08/29/1068440829.db2.gz YGOBBWGVOOZUGO-VXNXHJTFSA-N 0 0 455.601 4.741 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Oc2cccc(OC(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC001463559676 1068442662 /nfs/dbraw/zinc/44/26/62/1068442662.db2.gz BWKBMLIFRHKJON-UHFFFAOYSA-N 0 0 455.385 4.744 20 0 JJADRN CN(C)[C@@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558732 1068442671 /nfs/dbraw/zinc/44/26/71/1068442671.db2.gz BYHYSKGJKKTALJ-UNMCSNQZSA-N 0 0 454.920 4.727 20 0 JJADRN CN(C)[C@@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558730 1068442686 /nfs/dbraw/zinc/44/26/86/1068442686.db2.gz BYHYSKGJKKTALJ-RBBKRZOGSA-N 0 0 454.920 4.727 20 0 JJADRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC001463560223 1068443175 /nfs/dbraw/zinc/44/31/75/1068443175.db2.gz JYKGUGUMYYUFJJ-HXUWFJFHSA-N 0 0 453.999 4.541 20 0 JJADRN Cc1cc(S(=O)(=O)NCC2(c3ccc(F)cc3F)CCCC2)sc1Br ZINC001463562048 1068444177 /nfs/dbraw/zinc/44/41/77/1068444177.db2.gz QQHSARLGGQXREN-UHFFFAOYSA-N 0 0 450.370 4.888 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Nc3nc(C)cs3)cc2)ccc1C ZINC001463563411 1068445052 /nfs/dbraw/zinc/44/50/52/1068445052.db2.gz KVKJEJUYXPFXRK-UHFFFAOYSA-N 0 0 458.609 4.786 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463564082 1068445947 /nfs/dbraw/zinc/44/59/47/1068445947.db2.gz LAJMJHFXHGRTLG-LJQANCHMSA-N 0 0 456.951 4.823 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CCCCC1 ZINC001463565447 1068446680 /nfs/dbraw/zinc/44/66/80/1068446680.db2.gz RXYGPIHLIUILJJ-OAQYLSRUSA-N 0 0 450.988 4.983 20 0 JJADRN CC1(C)[C@@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)C1(F)F ZINC001463565865 1068447557 /nfs/dbraw/zinc/44/75/57/1068447557.db2.gz TWYOSJCLRVNHJV-VXGBXAGGSA-N 0 0 450.267 4.653 20 0 JJADRN Cc1cc(C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)ccc1Br ZINC001463566823 1068448124 /nfs/dbraw/zinc/44/81/24/1068448124.db2.gz WZFGBFRYCHFNAJ-OAHLLOKOSA-N 0 0 450.398 4.649 20 0 JJADRN O=S(=O)(NCC1(c2ccc(F)cc2Cl)CCCC1)c1ccc2nc(Cl)cnc2c1 ZINC001463567524 1068448148 /nfs/dbraw/zinc/44/81/48/1068448148.db2.gz CBENBEMMASEPCF-UHFFFAOYSA-N 0 0 454.354 4.866 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc1 ZINC001463568048 1068448947 /nfs/dbraw/zinc/44/89/47/1068448947.db2.gz LSUXYRDIZHSRIZ-MRXNPFEDSA-N 0 0 452.580 4.987 20 0 JJADRN C[C@@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001463569350 1068449767 /nfs/dbraw/zinc/44/97/67/1068449767.db2.gz QZPPWKNMLGFNLJ-BFUOFWGJSA-N 0 0 450.457 4.955 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC001463571559 1068451196 /nfs/dbraw/zinc/45/11/96/1068451196.db2.gz YEPCKCJWWJWKKK-UHFFFAOYSA-N 0 0 458.219 4.540 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC001463579493 1068453687 /nfs/dbraw/zinc/45/36/87/1068453687.db2.gz MSXZSFNABMNPSA-UXHICEINSA-N 0 0 452.389 4.828 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001463579517 1068453699 /nfs/dbraw/zinc/45/36/99/1068453699.db2.gz MSXZSFNABMNPSA-VQTJNVASSA-N 0 0 452.389 4.828 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC001463582554 1068456116 /nfs/dbraw/zinc/45/61/16/1068456116.db2.gz XNWKPVKEUONLFW-CQSZACIVSA-N 0 0 454.935 4.868 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)c(C)c3)c2)cc1 ZINC001463582846 1068456196 /nfs/dbraw/zinc/45/61/96/1068456196.db2.gz OXYLHQGTBKUWAH-UHFFFAOYSA-N 0 0 458.511 4.595 20 0 JJADRN C[C@H]1Cc2cccc(S(=O)(=O)N3CCC(C)(c4ccc(Br)cc4)CC3)c2O1 ZINC001463582883 1068456215 /nfs/dbraw/zinc/45/62/15/1068456215.db2.gz YVXJMGZZBAKVKV-HNNXBMFYSA-N 0 0 450.398 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)nc2C1 ZINC001463584982 1068456988 /nfs/dbraw/zinc/45/69/88/1068456988.db2.gz SIBJHHHXFNYHIX-UHFFFAOYSA-N 0 0 450.366 4.654 20 0 JJADRN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC001463589171 1068458836 /nfs/dbraw/zinc/45/88/36/1068458836.db2.gz MGCNQUVLXBOKFY-IBGZPJMESA-N 0 0 458.580 4.850 20 0 JJADRN O=S(=O)(Cc1cccc(Br)c1)Oc1cc(F)c(Cl)cc1Br ZINC001463593959 1068459549 /nfs/dbraw/zinc/45/95/49/1068459549.db2.gz WSOMSGMOFXPAJG-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN C/C=C(\C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1 ZINC001463595503 1068460183 /nfs/dbraw/zinc/46/01/83/1068460183.db2.gz MCGCNCDKVSSQEQ-YIXHJXPBSA-N 0 0 453.358 4.553 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2cccc(CC)c2)cc1 ZINC001463596572 1068460224 /nfs/dbraw/zinc/46/02/24/1068460224.db2.gz KSTNFSXRWFNVDW-HSZRJFAPSA-N 0 0 458.624 4.794 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001463599535 1068460908 /nfs/dbraw/zinc/46/09/08/1068460908.db2.gz RRXKDTIYXBUFQN-LJQANCHMSA-N 0 0 454.633 4.571 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463604264 1068462534 /nfs/dbraw/zinc/46/25/34/1068462534.db2.gz AHNRNSIPJKCQAB-TXPKVOOTSA-N 0 0 458.780 4.574 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCOc2c(Br)cccc21 ZINC001463607869 1068464743 /nfs/dbraw/zinc/46/47/43/1068464743.db2.gz WNSXGUSDZRIJKD-UHFFFAOYSA-N 0 0 456.667 4.709 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c1 ZINC001463608165 1068464759 /nfs/dbraw/zinc/46/47/59/1068464759.db2.gz KGJVXALDXSJXJS-INIZCTEOSA-N 0 0 452.292 4.738 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC001463608168 1068464793 /nfs/dbraw/zinc/46/47/93/1068464793.db2.gz KGJVXALDXSJXJS-MRXNPFEDSA-N 0 0 452.292 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)Nc3ccc(Oc4ccccc4)cc3)=NO2)CC1 ZINC001463611654 1068466296 /nfs/dbraw/zinc/46/62/96/1068466296.db2.gz CZRBPHXKZYCIMX-UHFFFAOYSA-N 0 0 451.523 4.963 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC001463613415 1068466943 /nfs/dbraw/zinc/46/69/43/1068466943.db2.gz SIOPLVGNHWNRBS-FCHUYYIVSA-N 0 0 452.576 4.521 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2ccc(I)cc2C)cs1 ZINC001463615683 1068467688 /nfs/dbraw/zinc/46/76/88/1068467688.db2.gz FGNPLEINTZOMMQ-UHFFFAOYSA-N 0 0 457.381 4.720 20 0 JJADRN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC001463617276 1068467946 /nfs/dbraw/zinc/46/79/46/1068467946.db2.gz GGHSZAUQXMTLTM-UHFFFAOYSA-N 0 0 450.966 4.676 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001463621458 1068469436 /nfs/dbraw/zinc/46/94/36/1068469436.db2.gz AVHLWDWZTKTXEF-HIFRSBDPSA-N 0 0 458.805 4.986 20 0 JJADRN O=C(NCc1ccccc1Cl)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001463621882 1068470092 /nfs/dbraw/zinc/47/00/92/1068470092.db2.gz LJPMACOTZRJMMP-GOSISDBHSA-N 0 0 453.739 4.553 20 0 JJADRN O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463624163 1068471371 /nfs/dbraw/zinc/47/13/71/1068471371.db2.gz FURHGXBJLPPQST-UHFFFAOYSA-N 0 0 457.914 4.942 20 0 JJADRN CN(Cc1ccccc1Cl)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001463624933 1068471497 /nfs/dbraw/zinc/47/14/97/1068471497.db2.gz GFBQVLABANUQHB-UHFFFAOYSA-N 0 0 450.894 4.691 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1oc2ccccc2c1CO ZINC001463625523 1068471990 /nfs/dbraw/zinc/47/19/90/1068471990.db2.gz JAGQBOIWUPVWKG-UHFFFAOYSA-N 0 0 456.907 4.632 20 0 JJADRN Cc1cc(C(=O)NCCCN2CCOCC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001463626991 1068472774 /nfs/dbraw/zinc/47/27/74/1068472774.db2.gz RXCZSOKFUWGXFG-QGZVFWFLSA-N 0 0 450.410 4.927 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Br)cn1 ZINC001463626302 1068472980 /nfs/dbraw/zinc/47/29/80/1068472980.db2.gz RTFIKBIYUKARQH-LLVKDONJSA-N 0 0 454.415 4.791 20 0 JJADRN COC(=O)c1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)sc3c2cccc3C)sc1C ZINC001463628981 1068474921 /nfs/dbraw/zinc/47/49/21/1068474921.db2.gz DSOJJTVVVBRBEJ-HNNXBMFYSA-N 0 0 450.607 4.595 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N(CCc1ccccn1)Cc1cccnc1 ZINC001463629741 1068474965 /nfs/dbraw/zinc/47/49/65/1068474965.db2.gz CVKMOIZROMSSJZ-UHFFFAOYSA-N 0 0 455.889 4.582 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2C)c(Br)c1 ZINC001463637024 1068476777 /nfs/dbraw/zinc/47/67/77/1068476777.db2.gz ULXNVDNXJLQFSH-IBGZPJMESA-N 0 0 452.414 4.744 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Br)o2)c(Cl)c1 ZINC001463634006 1068477096 /nfs/dbraw/zinc/47/70/96/1068477096.db2.gz ZIUFDRVPTHBVKY-UHFFFAOYSA-N 0 0 452.710 4.810 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)cc2)cc1 ZINC001463637426 1068477711 /nfs/dbraw/zinc/47/77/11/1068477711.db2.gz YNRJUWFGYWOBIO-ZHRRBRCNSA-N 0 0 456.589 4.746 20 0 JJADRN O=C1CCc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2N1 ZINC001463643812 1068479450 /nfs/dbraw/zinc/47/94/50/1068479450.db2.gz ZXCBAZLJUHSIGI-HXUWFJFHSA-N 0 0 452.498 4.896 20 0 JJADRN CC(C)c1cccc2c1CCN(S(=O)(=O)c1ccc(NC(=O)c3ccc(F)cc3)cc1)C2 ZINC001463645064 1068479587 /nfs/dbraw/zinc/47/95/87/1068479587.db2.gz XFKDGIPHYHCYNP-UHFFFAOYSA-N 0 0 452.551 4.948 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001463649649 1068480877 /nfs/dbraw/zinc/48/08/77/1068480877.db2.gz OCHVTYASHFITCH-QGZVFWFLSA-N 0 0 454.290 4.960 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001463649623 1068480927 /nfs/dbraw/zinc/48/09/27/1068480927.db2.gz NZZXZDYEKUGPKD-XMSQKQJNSA-N 0 0 459.468 4.636 20 0 JJADRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(Cl)n1 ZINC001463652934 1068482495 /nfs/dbraw/zinc/48/24/95/1068482495.db2.gz IWYWIUGZUNYFBE-UHFFFAOYSA-N 0 0 450.347 4.679 20 0 JJADRN Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001463655187 1068483218 /nfs/dbraw/zinc/48/32/18/1068483218.db2.gz UHXVTOZYDVOVPY-UHFFFAOYSA-N 0 0 454.310 4.768 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)cc2c1C ZINC001463655669 1068483711 /nfs/dbraw/zinc/48/37/11/1068483711.db2.gz DRNQNYOKNOYLPN-SFHVURJKSA-N 0 0 459.417 4.639 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546140670 1068484332 /nfs/dbraw/zinc/48/43/32/1068484332.db2.gz LCTGZCNZTYNKJT-NQIIRXRSSA-N 0 0 460.644 4.701 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cc1C ZINC001463656771 1068484433 /nfs/dbraw/zinc/48/44/33/1068484433.db2.gz OKLPHDXUFRBANK-UHFFFAOYSA-N 0 0 454.324 4.622 20 0 JJADRN COCCCC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1OC)c1ccccc1 ZINC001463661501 1068486240 /nfs/dbraw/zinc/48/62/40/1068486240.db2.gz AHEMVDOKAPGDSG-GOSISDBHSA-N 0 0 456.402 4.602 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc(C(F)(F)F)nc3C)cc2)cc1 ZINC001463665130 1068487710 /nfs/dbraw/zinc/48/77/10/1068487710.db2.gz GIWWYIFOIMPLOH-UHFFFAOYSA-N 0 0 450.438 4.802 20 0 JJADRN CCc1ccc([C@H]2CCCN(S(=O)(=O)c3cc(F)c(Br)cc3OC)C2)cc1 ZINC001463666856 1068488627 /nfs/dbraw/zinc/48/86/27/1068488627.db2.gz SDXWKMBILFKZRM-INIZCTEOSA-N 0 0 456.377 4.728 20 0 JJADRN CCc1ccccc1S(=O)(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC001463667128 1068489052 /nfs/dbraw/zinc/48/90/52/1068489052.db2.gz JXZQCDLKDDJOQM-LJQANCHMSA-N 0 0 451.430 4.576 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1C(=O)OC(C)C ZINC001463670586 1068489102 /nfs/dbraw/zinc/48/91/02/1068489102.db2.gz BSWYIHDQKOIBNO-INIZCTEOSA-N 0 0 457.514 4.831 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)CCOCC1 ZINC001546140772 1068489145 /nfs/dbraw/zinc/48/91/45/1068489145.db2.gz NNSTWYRIAONYPO-HXUWFJFHSA-N 0 0 494.583 4.973 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N([C@@H](C)c2ccccc2)C2CC2)c(Br)c1 ZINC001463673805 1068489829 /nfs/dbraw/zinc/48/98/29/1068489829.db2.gz HMOXPRRTQBKTKJ-AWEZNQCLSA-N 0 0 452.370 4.540 20 0 JJADRN COCCC[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC001463676103 1068490476 /nfs/dbraw/zinc/49/04/76/1068490476.db2.gz NTNIVXYLQNDKSL-GOSISDBHSA-N 0 0 451.013 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2)CC1 ZINC001463674590 1068490486 /nfs/dbraw/zinc/49/04/86/1068490486.db2.gz PXEBBOVCESXSLR-INIZCTEOSA-N 0 0 453.465 4.511 20 0 JJADRN COCCC[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC001463676107 1068490506 /nfs/dbraw/zinc/49/05/06/1068490506.db2.gz NTNIVXYLQNDKSL-SFHVURJKSA-N 0 0 451.013 4.952 20 0 JJADRN O=C(c1ccccc1)c1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1Br ZINC001463684696 1068493026 /nfs/dbraw/zinc/49/30/26/1068493026.db2.gz ZCWJPRNRDZHGSJ-UHFFFAOYSA-N 0 0 453.260 4.726 20 0 JJADRN CCc1ccc(N2CCN(S(=O)(=O)Cc3cc(Cl)sc3Cl)CC2)cc1Cl ZINC001463686436 1068493526 /nfs/dbraw/zinc/49/35/26/1068493526.db2.gz FSDWEGLTRDKDLN-UHFFFAOYSA-N 0 0 453.844 4.923 20 0 JJADRN Cc1cc2c(cc1C)N(S(=O)(=O)c1cc(Br)c(C)cc1Br)CC2 ZINC001463685326 1068493540 /nfs/dbraw/zinc/49/35/40/1068493540.db2.gz TYAFOGVARRQDDO-UHFFFAOYSA-N 0 0 459.203 4.888 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)c3ccc(F)cc3Cl)c2)c1 ZINC001463687723 1068494103 /nfs/dbraw/zinc/49/41/03/1068494103.db2.gz ZYPQUFKTYBWBCK-UHFFFAOYSA-N 0 0 451.903 4.767 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CCC3)cc21 ZINC001463690591 1068494855 /nfs/dbraw/zinc/49/48/55/1068494855.db2.gz FRLXCIWXTLZJDM-UHFFFAOYSA-N 0 0 453.789 4.952 20 0 JJADRN O=S(=O)(c1cc2nc(Cl)ccc2s1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001463688737 1068494872 /nfs/dbraw/zinc/49/48/72/1068494872.db2.gz UEDSUEVVLBBCSY-IBGZPJMESA-N 0 0 458.992 4.874 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1Br ZINC001463688395 1068494877 /nfs/dbraw/zinc/49/48/77/1068494877.db2.gz PUPADIXHOZRKPN-UHFFFAOYSA-N 0 0 452.292 4.519 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(CC)c(Cl)c3)CC2)cc1CC ZINC001463689466 1068494889 /nfs/dbraw/zinc/49/48/89/1068494889.db2.gz YOQVWXHFNFLORI-UHFFFAOYSA-N 0 0 451.032 4.765 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC001463691481 1068495616 /nfs/dbraw/zinc/49/56/16/1068495616.db2.gz JWQKMTUSALSSIK-WOJBJXKFSA-N 0 0 450.988 4.702 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ncc(Cl)s3)ccc2C)cc1 ZINC001463694203 1068495934 /nfs/dbraw/zinc/49/59/34/1068495934.db2.gz MMBHBEXAVVRNLT-UHFFFAOYSA-N 0 0 451.957 4.557 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C\c3cccnc3C)ccc2C)cc1 ZINC001463693718 1068496046 /nfs/dbraw/zinc/49/60/46/1068496046.db2.gz KFVVRPIEOHNLAA-ZSOIEALJSA-N 0 0 451.548 4.550 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc(F)c1F ZINC001463695208 1068496644 /nfs/dbraw/zinc/49/66/44/1068496644.db2.gz RSISKEFQBHKRPX-LPHOPBHVSA-N 0 0 457.926 4.800 20 0 JJADRN CC(C)[C@H]1CN(S(=O)(=O)c2c(Br)cc(F)cc2Br)[C@H]1C(C)C ZINC001463695143 1068496664 /nfs/dbraw/zinc/49/66/64/1068496664.db2.gz FQYWZFJVOATYEO-RISCZKNCSA-N 0 0 457.203 4.652 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C(C)=O)cs3)ccc2C)cc1 ZINC001463694929 1068496767 /nfs/dbraw/zinc/49/67/67/1068496767.db2.gz PQMKWIPBRSCOFZ-UHFFFAOYSA-N 0 0 458.561 4.711 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)n(C(C)C)n3)ccc2C)cc1 ZINC001463694451 1068496806 /nfs/dbraw/zinc/49/68/06/1068496806.db2.gz NHNRUZUKRDPHBF-UHFFFAOYSA-N 0 0 456.568 4.533 20 0 JJADRN COCC[C@H](NS(=O)(=O)c1ccc(OC)c2cccnc21)c1ccc(Cl)c(Cl)c1 ZINC001463694516 1068496849 /nfs/dbraw/zinc/49/68/49/1068496849.db2.gz RUZDPEXGMXVOOJ-KRWDZBQOSA-N 0 0 455.363 4.606 20 0 JJADRN COC(=O)c1c(OS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccn1Cc1ccccc1 ZINC001463696043 1068497127 /nfs/dbraw/zinc/49/71/27/1068497127.db2.gz WWXLWWNKOZTHLL-UHFFFAOYSA-N 0 0 458.294 4.537 20 0 JJADRN CCC1=C(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)CCCO1 ZINC001463698165 1068497938 /nfs/dbraw/zinc/49/79/38/1068497938.db2.gz FGJRZUDKEWBLIX-UHFFFAOYSA-N 0 0 450.944 4.562 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463700159 1068499136 /nfs/dbraw/zinc/49/91/36/1068499136.db2.gz QCRSBXICTIYMGJ-ZDUSSCGKSA-N 0 0 450.969 4.953 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccccc1)c1nc2ccccc2s1)c1c[nH]c(C(F)(F)F)c1 ZINC001463704922 1068500327 /nfs/dbraw/zinc/50/03/27/1068500327.db2.gz UWGJDPPTPMHBJG-INIZCTEOSA-N 0 0 451.495 4.906 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1nc2ccccc2s1)c1c[nH]c(C(F)(F)F)c1 ZINC001463704923 1068500364 /nfs/dbraw/zinc/50/03/64/1068500364.db2.gz UWGJDPPTPMHBJG-MRXNPFEDSA-N 0 0 451.495 4.906 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1C ZINC001463708710 1068501365 /nfs/dbraw/zinc/50/13/65/1068501365.db2.gz GHZQFNWOTNBFCZ-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)c1 ZINC001463714633 1068502766 /nfs/dbraw/zinc/50/27/66/1068502766.db2.gz YQTPXAGZJVCDIN-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC001463716738 1068503731 /nfs/dbraw/zinc/50/37/31/1068503731.db2.gz DZKJCPOCQXCPNU-PKTZIBPZSA-N 0 0 459.464 4.856 20 0 JJADRN CCOC(=O)C(C)(C)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC001463720237 1068504406 /nfs/dbraw/zinc/50/44/06/1068504406.db2.gz JJMAGSWGTJOKCM-UHFFFAOYSA-N 0 0 453.970 4.800 20 0 JJADRN C[C@@H](NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463725591 1068505305 /nfs/dbraw/zinc/50/53/05/1068505305.db2.gz RJEHWAIOVJSYQS-SECBINFHSA-N 0 0 458.754 4.937 20 0 JJADRN CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1ccc2c(c1)OCCO2 ZINC001463724929 1068505357 /nfs/dbraw/zinc/50/53/57/1068505357.db2.gz FESUKZXIOMLMRX-FQEVSTJZSA-N 0 0 457.324 4.601 20 0 JJADRN CC[C@@]1(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001463725944 1068505764 /nfs/dbraw/zinc/50/57/64/1068505764.db2.gz PWENHZRZMRDBPC-HHHXNRCGSA-N 0 0 451.611 4.521 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001463729804 1068506538 /nfs/dbraw/zinc/50/65/38/1068506538.db2.gz MLSPGNHLZTZNSM-GOSISDBHSA-N 0 0 452.349 4.522 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC001463730336 1068506960 /nfs/dbraw/zinc/50/69/60/1068506960.db2.gz GRZIDIXPKDHEMK-LJQANCHMSA-N 0 0 457.412 4.573 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC001463736051 1068507974 /nfs/dbraw/zinc/50/79/74/1068507974.db2.gz JMKWGFRNKKELLU-UHFFFAOYSA-N 0 0 455.755 4.517 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1)c1cccs1 ZINC001463741207 1068509183 /nfs/dbraw/zinc/50/91/83/1068509183.db2.gz DTWBIRDWLKIPFL-FQEVSTJZSA-N 0 0 450.516 4.707 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CC1 ZINC001463742524 1068509747 /nfs/dbraw/zinc/50/97/47/1068509747.db2.gz GPCONCFAMQQSPC-ZYSHUDEJSA-N 0 0 468.589 4.601 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001463744205 1068510332 /nfs/dbraw/zinc/51/03/32/1068510332.db2.gz OBAOSXMWZJURHM-PKTZIBPZSA-N 0 0 454.567 4.503 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001463744200 1068510375 /nfs/dbraw/zinc/51/03/75/1068510375.db2.gz OBAOSXMWZJURHM-GOTSBHOMSA-N 0 0 454.567 4.503 20 0 JJADRN COc1ccc(CCCC(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC001463746084 1068510879 /nfs/dbraw/zinc/51/08/79/1068510879.db2.gz MKQOFVJTUPYLCX-GOSISDBHSA-N 0 0 453.608 4.542 20 0 JJADRN COc1cccc2c1CCN(C(=O)c1ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n1C)C2 ZINC001546141359 1068511011 /nfs/dbraw/zinc/51/10/11/1068511011.db2.gz FGCNSUPBLJCEPC-OAQYLSRUSA-N 0 0 453.583 4.694 20 0 JJADRN COc1ccc(CCCC(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1OC ZINC001463746094 1068511399 /nfs/dbraw/zinc/51/13/99/1068511399.db2.gz MKQOFVJTUPYLCX-SFHVURJKSA-N 0 0 453.608 4.542 20 0 JJADRN CC(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC001463748141 1068511415 /nfs/dbraw/zinc/51/14/15/1068511415.db2.gz DLIIPSPZIRXDPC-QGZVFWFLSA-N 0 0 450.398 4.541 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC001463749600 1068512105 /nfs/dbraw/zinc/51/21/05/1068512105.db2.gz VPYQVMILLDRYNJ-ZDUSSCGKSA-N 0 0 454.543 4.767 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC001463751983 1068512475 /nfs/dbraw/zinc/51/24/75/1068512475.db2.gz NFBDUWCLVRONBI-UHFFFAOYSA-N 0 0 455.382 4.917 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)c4cc(C)oc43)CC2)c(F)c1 ZINC001463752853 1068513039 /nfs/dbraw/zinc/51/30/39/1068513039.db2.gz PCXNNXAUFKYYGS-UHFFFAOYSA-N 0 0 459.315 4.808 20 0 JJADRN C[C@@H]1CCc2nc(NC(=O)C3CC4(C3)C[C@H](NC(=O)OC(C)(C)C)CCS4)sc2C1 ZINC001463753557 1068513084 /nfs/dbraw/zinc/51/30/84/1068513084.db2.gz LSYSICSJXIORBO-HSLAECEOSA-N 0 0 451.658 4.776 20 0 JJADRN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756683 1068514253 /nfs/dbraw/zinc/51/42/53/1068514253.db2.gz UUBMJFAFIRCHKP-NRFANRHFSA-N 0 0 457.665 4.650 20 0 JJADRN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC001463756688 1068514328 /nfs/dbraw/zinc/51/43/28/1068514328.db2.gz UUBMJFAFIRCHKP-OAQYLSRUSA-N 0 0 457.665 4.650 20 0 JJADRN O=S(=O)(NCc1c(Cl)cccc1-n1ccnc1)c1cc(Cl)ccc1C(F)(F)F ZINC001463761621 1068516629 /nfs/dbraw/zinc/51/66/29/1068516629.db2.gz QNKUSTKHJQPTOM-UHFFFAOYSA-N 0 0 450.269 4.676 20 0 JJADRN C[C@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC001463761490 1068516682 /nfs/dbraw/zinc/51/66/82/1068516682.db2.gz FOIFXHYVKXOOBR-OAQYLSRUSA-N 0 0 452.576 4.506 20 0 JJADRN COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c(Br)c1 ZINC001463765817 1068517246 /nfs/dbraw/zinc/51/72/46/1068517246.db2.gz LCVLCMPYSQTCJQ-ZDUSSCGKSA-N 0 0 450.276 4.703 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001463767359 1068517557 /nfs/dbraw/zinc/51/75/57/1068517557.db2.gz NUTDDVUZEBLWEE-LLVKDONJSA-N 0 0 455.683 4.742 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463766937 1068517812 /nfs/dbraw/zinc/51/78/12/1068517812.db2.gz YCDVKRXJRLDPMN-KSFYIVLOSA-N 0 0 453.526 4.602 20 0 JJADRN Cc1cc(S(=O)(=O)Oc2cccc3c2C(=O)c2ccccc2C3)c(C)cc1Br ZINC001463768603 1068518277 /nfs/dbraw/zinc/51/82/77/1068518277.db2.gz PLTKWUGOSUQRGQ-UHFFFAOYSA-N 0 0 457.345 4.969 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001463770201 1068518572 /nfs/dbraw/zinc/51/85/72/1068518572.db2.gz YGMLWOOOBLOUTE-GOEBONIOSA-N 0 0 458.805 4.973 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc2)cc1 ZINC001463770918 1068519210 /nfs/dbraw/zinc/51/92/10/1068519210.db2.gz GONRFLWLMBMSBV-UHFFFAOYSA-N 0 0 458.562 4.866 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC001463773677 1068520653 /nfs/dbraw/zinc/52/06/53/1068520653.db2.gz FOUDHOJWPIPTEZ-UHFFFAOYSA-N 0 0 453.482 4.532 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001463774171 1068521041 /nfs/dbraw/zinc/52/10/41/1068521041.db2.gz YNJLCNFRPHUAED-LJQANCHMSA-N 0 0 459.432 4.588 20 0 JJADRN C[C@H](OCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001463778531 1068522189 /nfs/dbraw/zinc/52/21/89/1068522189.db2.gz WMRHNOZSOFWVJW-CVDCTZTESA-N 0 0 454.636 4.783 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3)cc21 ZINC001463781101 1068522740 /nfs/dbraw/zinc/52/27/40/1068522740.db2.gz BBGVHTMVPLWWAD-KRWDZBQOSA-N 0 0 459.340 4.752 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c(Cl)c1 ZINC001463786593 1068523630 /nfs/dbraw/zinc/52/36/30/1068523630.db2.gz SYHPANLUOAPJBC-KRWDZBQOSA-N 0 0 456.391 4.956 20 0 JJADRN CCCCN([C@@H]1CCC[C@@H](C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463787286 1068524099 /nfs/dbraw/zinc/52/40/99/1068524099.db2.gz UXGMVYNYGLNJEW-YMPZKCBVSA-N 0 0 450.645 4.798 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001463788073 1068524146 /nfs/dbraw/zinc/52/41/46/1068524146.db2.gz WEWBFVIOTZMEIK-LJQANCHMSA-N 0 0 456.439 4.618 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1C ZINC001463788943 1068524788 /nfs/dbraw/zinc/52/47/88/1068524788.db2.gz AJTVEZIQWYGSFT-IBGZPJMESA-N 0 0 457.514 4.872 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001463791989 1068525158 /nfs/dbraw/zinc/52/51/58/1068525158.db2.gz VMMSQZRDGFMLOD-NHCUHLMSSA-N 0 0 450.645 4.720 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463792606 1068525994 /nfs/dbraw/zinc/52/59/94/1068525994.db2.gz ACHBYZQTKACSFK-HSZRJFAPSA-N 0 0 457.618 4.702 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N1CCCn2c(cc3ccccc32)C1 ZINC001463796720 1068527436 /nfs/dbraw/zinc/52/74/36/1068527436.db2.gz NBWYPUSQUIUTFX-UHFFFAOYSA-N 0 0 453.789 4.793 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463797068 1068527637 /nfs/dbraw/zinc/52/76/37/1068527637.db2.gz VJRUHVWLPPYGOK-UHFFFAOYSA-N 0 0 455.602 4.705 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)C(C)C)cc1OCC ZINC001463799952 1068529036 /nfs/dbraw/zinc/52/90/36/1068529036.db2.gz JUSOEUPYOCTCBY-XMMPIXPASA-N 0 0 452.551 4.808 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)Cc2ccccc2O1 ZINC001463806578 1068531786 /nfs/dbraw/zinc/53/17/86/1068531786.db2.gz ZKLVKYGWNOSDTP-SNVBAGLBSA-N 0 0 451.169 4.728 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC001463808590 1068532205 /nfs/dbraw/zinc/53/22/05/1068532205.db2.gz IZBDVNMRUJDGAY-UHFFFAOYSA-N 0 0 454.496 4.826 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)c1C ZINC001463810671 1068532651 /nfs/dbraw/zinc/53/26/51/1068532651.db2.gz QSHFSKICSYCBRN-XMMPIXPASA-N 0 0 450.645 4.640 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2=O)c1 ZINC001463810860 1068533506 /nfs/dbraw/zinc/53/35/06/1068533506.db2.gz UWBTYLDHRVQRCR-OAHLLOKOSA-N 0 0 457.646 4.614 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC001463817442 1068534566 /nfs/dbraw/zinc/53/45/66/1068534566.db2.gz REDMXRSBFMQPQG-QHCPKHFHSA-N 0 0 455.963 4.985 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001463817890 1068535050 /nfs/dbraw/zinc/53/50/50/1068535050.db2.gz IZMVZPWFPPJBOY-QGZVFWFLSA-N 0 0 454.995 4.948 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463819565 1068535198 /nfs/dbraw/zinc/53/51/98/1068535198.db2.gz LUZDKKSWCQARIW-UHFFFAOYSA-N 0 0 451.951 4.716 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](c2cccs2)C(C)(C)CO)cc(C)c1OCc1ccccc1 ZINC001463819247 1068535255 /nfs/dbraw/zinc/53/52/55/1068535255.db2.gz KBUWSXXPUVOFPV-QHCPKHFHSA-N 0 0 459.633 4.982 20 0 JJADRN CC(C)C(=O)c1ccc(S(=O)(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1 ZINC001463822198 1068535852 /nfs/dbraw/zinc/53/58/52/1068535852.db2.gz ZUFARSOKYZUQCC-UHFFFAOYSA-N 0 0 458.761 4.529 20 0 JJADRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463820396 1068535871 /nfs/dbraw/zinc/53/58/71/1068535871.db2.gz NUDNGUZUXZCBKT-LBPRGKRZSA-N 0 0 451.778 4.826 20 0 JJADRN CCc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)NC(=O)OC(C)(C)C ZINC001463823053 1068536191 /nfs/dbraw/zinc/53/61/91/1068536191.db2.gz AXFXVXOPVBGTGY-SFHVURJKSA-N 0 0 456.967 4.586 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546142019 1068536435 /nfs/dbraw/zinc/53/64/35/1068536435.db2.gz BGXGHCLLGUSBDH-VQTJNVASSA-N 0 0 461.651 4.841 20 0 JJADRN CCc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)NC(=O)OC(C)(C)C ZINC001463823045 1068536454 /nfs/dbraw/zinc/53/64/54/1068536454.db2.gz AXFXVXOPVBGTGY-GOSISDBHSA-N 0 0 456.967 4.586 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546142020 1068536819 /nfs/dbraw/zinc/53/68/19/1068536819.db2.gz BGXGHCLLGUSBDH-WOJBJXKFSA-N 0 0 461.651 4.841 20 0 JJADRN Cc1ccc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825102 1068537017 /nfs/dbraw/zinc/53/70/17/1068537017.db2.gz CJSFVPFDGPSJHA-UHFFFAOYSA-N 0 0 459.955 4.926 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCCCC1 ZINC001463825405 1068537120 /nfs/dbraw/zinc/53/71/20/1068537120.db2.gz FJEAPEKYRONDMQ-NRFANRHFSA-N 0 0 450.988 4.983 20 0 JJADRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(I)cc1 ZINC001463826518 1068538071 /nfs/dbraw/zinc/53/80/71/1068538071.db2.gz TWGQTSNKGUTDSW-GOSISDBHSA-N 0 0 454.739 4.512 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001546142034 1068538101 /nfs/dbraw/zinc/53/81/01/1068538101.db2.gz BLXOXRGEFURLCI-OALUTQOASA-N 0 0 461.651 4.587 20 0 JJADRN O=S(=O)(NCC1(C2CCC2)CCC1)c1c(Br)cc(F)cc1Br ZINC001463829049 1068539276 /nfs/dbraw/zinc/53/92/76/1068539276.db2.gz RYCYNOWNFDJFPW-UHFFFAOYSA-N 0 0 455.187 4.599 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)c1cc(F)c(Cl)cc1Cl ZINC001463827733 1068539313 /nfs/dbraw/zinc/53/93/13/1068539313.db2.gz MLMWVUUUFQWUKZ-KZULUSFZSA-N 0 0 456.345 4.841 20 0 JJADRN CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001463829708 1068540084 /nfs/dbraw/zinc/54/00/84/1068540084.db2.gz NVKBLKUPPQNBOW-QFIPXVFZSA-N 0 0 454.473 4.914 20 0 JJADRN O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC(OC2CCCCC2)CC1 ZINC001463834014 1068541120 /nfs/dbraw/zinc/54/11/20/1068541120.db2.gz VAEFSTLTHHMFKC-UHFFFAOYSA-N 0 0 450.826 4.746 20 0 JJADRN CC1(C)C[C@H](C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC001463834824 1068541152 /nfs/dbraw/zinc/54/11/52/1068541152.db2.gz JSIHMCUZGMONOH-IBGZPJMESA-N 0 0 454.523 4.910 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OCC(F)(F)F ZINC001463833283 1068541217 /nfs/dbraw/zinc/54/12/17/1068541217.db2.gz DPSVCZXRDNDUPK-YCRPNKLZSA-N 0 0 458.477 4.612 20 0 JJADRN Nc1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001463835730 1068541292 /nfs/dbraw/zinc/54/12/92/1068541292.db2.gz LOWKQIHPADEOOL-UHFFFAOYSA-N 0 0 454.310 4.768 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)cc1 ZINC001463842745 1068545218 /nfs/dbraw/zinc/54/52/18/1068545218.db2.gz NGNHEYZLHGATBV-QHCPKHFHSA-N 0 0 459.420 4.779 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Br ZINC001463843537 1068545374 /nfs/dbraw/zinc/54/53/74/1068545374.db2.gz FUPBSMQRZDCHLA-UHFFFAOYSA-N 0 0 458.356 4.769 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463844917 1068545773 /nfs/dbraw/zinc/54/57/73/1068545773.db2.gz XOPSPJUCYBPVLI-UHFFFAOYSA-N 0 0 458.392 4.510 20 0 JJADRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)o1 ZINC001463845064 1068545883 /nfs/dbraw/zinc/54/58/83/1068545883.db2.gz YZBRUKDHVANTSC-OXQOHEQNSA-N 0 0 457.523 4.905 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCc2cccc(F)c2)c(O)c1)c1cccc(Br)c1 ZINC001463844731 1068545947 /nfs/dbraw/zinc/54/59/47/1068545947.db2.gz RRHCGRDTKHRABC-UHFFFAOYSA-N 0 0 457.299 4.519 20 0 JJADRN C[C@@H](CCCc1cccnc1)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849107 1068547640 /nfs/dbraw/zinc/54/76/40/1068547640.db2.gz CGBFXHGJPGQTRA-LBPRGKRZSA-N 0 0 451.308 4.553 20 0 JJADRN O=C(c1cnc(-c2ccccc2Br)s1)N1CCN(CCc2ccccc2)CC1 ZINC001463849309 1068547773 /nfs/dbraw/zinc/54/77/73/1068547773.db2.gz IPRXNAAVITXYHP-UHFFFAOYSA-N 0 0 456.409 4.573 20 0 JJADRN COc1ccc(NC(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1OC1CCCC1 ZINC001463857743 1068548758 /nfs/dbraw/zinc/54/87/58/1068548758.db2.gz BTHCKKHRUNXNHZ-UHFFFAOYSA-N 0 0 454.548 4.616 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)Cc3csc(CNC(=O)OC(C)(C)C)n3)CC2)cc1 ZINC001463856283 1068548855 /nfs/dbraw/zinc/54/88/55/1068548855.db2.gz HWSASDRCVZCVQL-UHFFFAOYSA-N 0 0 457.640 4.890 20 0 JJADRN CC(C)(C)C[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1(C)C ZINC001463857082 1068548876 /nfs/dbraw/zinc/54/88/76/1068548876.db2.gz KOLJBSXUOXOFPY-LEWJYISDSA-N 0 0 450.645 4.654 20 0 JJADRN CO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)N(C)CC(C)C)C1 ZINC001463863819 1068550246 /nfs/dbraw/zinc/55/02/46/1068550246.db2.gz BHBYMZUERHYSQK-WINIVTDRSA-N 0 0 450.579 4.529 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463868971 1068551437 /nfs/dbraw/zinc/55/14/37/1068551437.db2.gz XDRJUBRIBANRFP-CRAIPNDOSA-N 0 0 455.407 4.666 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)N2CCC(Cc3c(F)cccc3F)CC2)cc1N ZINC001463868663 1068551524 /nfs/dbraw/zinc/55/15/24/1068551524.db2.gz UUOXKNFCLGECEI-UHFFFAOYSA-N 0 0 455.546 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC001463872842 1068552448 /nfs/dbraw/zinc/55/24/48/1068552448.db2.gz GSZJMQYUEGCYST-NBGIEHNGSA-N 0 0 458.530 4.806 20 0 JJADRN COc1ccc([C@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2sc(C)cc2C)cc1 ZINC001463872912 1068552484 /nfs/dbraw/zinc/55/24/84/1068552484.db2.gz PZJXMZGPUFSWOL-WZONZLPQSA-N 0 0 459.633 4.729 20 0 JJADRN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H](c2ccccc2)C1 ZINC001463872663 1068552545 /nfs/dbraw/zinc/55/25/45/1068552545.db2.gz MASRBEVEEHXNOE-RYQLBKOJSA-N 0 0 451.430 4.766 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)c2cccs2)cc1 ZINC001463874196 1068552840 /nfs/dbraw/zinc/55/28/40/1068552840.db2.gz IUWOZGOKQIFSOB-HSZRJFAPSA-N 0 0 454.617 4.527 20 0 JJADRN COc1ccc([C@@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC001463874252 1068552861 /nfs/dbraw/zinc/55/28/61/1068552861.db2.gz WMORGNLPCLYWBT-HXOBKFHXSA-N 0 0 459.633 4.729 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)c2cccs2)cc1 ZINC001463874201 1068552876 /nfs/dbraw/zinc/55/28/76/1068552876.db2.gz IUWOZGOKQIFSOB-QHCPKHFHSA-N 0 0 454.617 4.527 20 0 JJADRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccc(OC)cc1 ZINC001463874019 1068552888 /nfs/dbraw/zinc/55/28/88/1068552888.db2.gz HMDSWRFPAVSZBC-DEOSSOPVSA-N 0 0 452.576 4.994 20 0 JJADRN CCC(CC)[C@H](CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)N1CCOCC1 ZINC001463873248 1068553012 /nfs/dbraw/zinc/55/30/12/1068553012.db2.gz LPTOSFOLHHUCER-FQEVSTJZSA-N 0 0 453.608 4.937 20 0 JJADRN Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)sc1-c1cccc(Cl)c1 ZINC001463881926 1068554568 /nfs/dbraw/zinc/55/45/68/1068554568.db2.gz NYXGWCINLDSOGX-UHFFFAOYSA-N 0 0 453.995 4.773 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)n1C1CCOCC1 ZINC001463879800 1068554598 /nfs/dbraw/zinc/55/45/98/1068554598.db2.gz JRVFYQOBJGGQKE-UHFFFAOYSA-N 0 0 453.564 4.510 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001463882927 1068555077 /nfs/dbraw/zinc/55/50/77/1068555077.db2.gz SFMMTAYWAABMAL-UHFFFAOYSA-N 0 0 457.939 4.577 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C1(O)CCCC1 ZINC001463884492 1068555190 /nfs/dbraw/zinc/55/51/90/1068555190.db2.gz MHGPKGIEFMBLGT-UHFFFAOYSA-N 0 0 452.414 4.726 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](c3ccc(CC)cc3)C(C)C)cc(C(C)C)nc21 ZINC001463886653 1068555485 /nfs/dbraw/zinc/55/54/85/1068555485.db2.gz DAKDZLUCZQJDRQ-QFIPXVFZSA-N 0 0 450.583 4.720 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)c3ccccc3c2)c(C(=O)N(C)C)cc1OC ZINC001463889592 1068556646 /nfs/dbraw/zinc/55/66/46/1068556646.db2.gz KNWLNASAISLMFY-UHFFFAOYSA-N 0 0 457.324 4.574 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001463891149 1068557175 /nfs/dbraw/zinc/55/71/75/1068557175.db2.gz VUNSQNWNLWGWJE-PMACEKPBSA-N 0 0 455.498 4.839 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546142501 1068557184 /nfs/dbraw/zinc/55/71/84/1068557184.db2.gz LLGGITKKDXKLEB-IRLDBZIGSA-N 0 0 456.631 4.542 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)c2ccco2)cc1 ZINC001463892402 1068557234 /nfs/dbraw/zinc/55/72/34/1068557234.db2.gz BUKUPSIVEGLORI-GOSISDBHSA-N 0 0 456.745 4.772 20 0 JJADRN COC1([C@H](C)NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCC1 ZINC001463894275 1068558167 /nfs/dbraw/zinc/55/81/67/1068558167.db2.gz QDMZKBODGNBHMW-ZDUSSCGKSA-N 0 0 458.349 4.616 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccccc2N2CCCCCC2)cc1 ZINC001463896124 1068558194 /nfs/dbraw/zinc/55/81/94/1068558194.db2.gz LAHCOTFVVTVDHQ-UHFFFAOYSA-N 0 0 451.596 4.652 20 0 JJADRN COc1ccc(-c2nc(CN3CCN(C(=O)/C(C)=C\c4ccc(F)cc4)CC3)cs2)cc1 ZINC001463895029 1068558311 /nfs/dbraw/zinc/55/83/11/1068558311.db2.gz CQSKEPOMXIWVNH-SDXDJHTJSA-N 0 0 451.567 4.706 20 0 JJADRN CCC1(Cn2c([C@H]3CCOC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CCCC1 ZINC001546142560 1068559809 /nfs/dbraw/zinc/55/98/09/1068559809.db2.gz MZWCCGALWFOQFW-SFHVURJKSA-N 0 0 495.437 4.653 20 0 JJADRN CN(c1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001463900883 1068559880 /nfs/dbraw/zinc/55/98/80/1068559880.db2.gz LXPGMWMPCKTVSD-UHFFFAOYSA-N 0 0 452.576 4.619 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Oc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC001463909884 1068562105 /nfs/dbraw/zinc/56/21/05/1068562105.db2.gz XFUHNIBSERUFOP-UHFFFAOYSA-N 0 0 458.363 4.846 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc2c([nH]1)c(C)ccc2Br)c1nccn1C ZINC001463912621 1068563635 /nfs/dbraw/zinc/56/36/35/1068563635.db2.gz ZGZOYDQXLFQODT-HXUWFJFHSA-N 0 0 453.340 4.500 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C(F)(F)F)o1 ZINC001463914836 1068564083 /nfs/dbraw/zinc/56/40/83/1068564083.db2.gz YKINYHXIFPCFIY-SFHVURJKSA-N 0 0 450.379 4.986 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(F)c(Br)cc2N)cc1 ZINC001463917784 1068565439 /nfs/dbraw/zinc/56/54/39/1068565439.db2.gz WCKKDNULCRHLMB-UHFFFAOYSA-N 0 0 456.315 4.661 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC001463919049 1068565642 /nfs/dbraw/zinc/56/56/42/1068565642.db2.gz KVOCZGMJQICROX-QHCPKHFHSA-N 0 0 450.441 4.670 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Br)c2)cc1 ZINC001463923634 1068566564 /nfs/dbraw/zinc/56/65/64/1068566564.db2.gz HFUWCEIZUGHTKZ-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)N2CCOCC2)cc1OC ZINC001463923213 1068566724 /nfs/dbraw/zinc/56/67/24/1068566724.db2.gz DRXJAKLUYGPZQI-GBXCKJPGSA-N 0 0 454.611 4.511 20 0 JJADRN O=S(=O)(c1ccc2c(c1)CCCO2)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001463927989 1068567743 /nfs/dbraw/zinc/56/77/43/1068567743.db2.gz XZJKDLJLDLYUSW-LJQANCHMSA-N 0 0 450.398 4.560 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H]1C(=O)OC(C)(C)C ZINC001463929620 1068568679 /nfs/dbraw/zinc/56/86/79/1068568679.db2.gz GMZVLBSSVWUDGM-KDOFPFPSSA-N 0 0 452.642 4.725 20 0 JJADRN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 ZINC001463934554 1068570089 /nfs/dbraw/zinc/57/00/89/1068570089.db2.gz GTKJKDLKJGRVGJ-CQSZACIVSA-N 0 0 452.736 4.655 20 0 JJADRN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2c(Cl)cccc2Br)cc1 ZINC001463934524 1068570132 /nfs/dbraw/zinc/57/01/32/1068570132.db2.gz GENMPHZZTIAJTG-CQSZACIVSA-N 0 0 452.736 4.655 20 0 JJADRN CC1(C)C[C@H](c2ccccc2)N(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001463935129 1068570144 /nfs/dbraw/zinc/57/01/44/1068570144.db2.gz ISQLOAVEDCCMTF-HSZRJFAPSA-N 0 0 456.608 4.591 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001463940978 1068571122 /nfs/dbraw/zinc/57/11/22/1068571122.db2.gz IBPXYKNORXMKLE-UHFFFAOYSA-N 0 0 456.340 4.502 20 0 JJADRN Cc1ccc(Sc2ccc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)cc2)cc1C ZINC001463938889 1068571186 /nfs/dbraw/zinc/57/11/86/1068571186.db2.gz DWFGITREUZKOLW-UHFFFAOYSA-N 0 0 458.580 4.901 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142858 1068571839 /nfs/dbraw/zinc/57/18/39/1068571839.db2.gz SJZWYSJVDOKPDG-RTWAWAEBSA-N 0 0 475.678 4.978 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463948921 1068572653 /nfs/dbraw/zinc/57/26/53/1068572653.db2.gz HHLFGFPUDAFELO-YFQSIASUSA-N 0 0 458.967 4.659 20 0 JJADRN CCc1nc(C(C)C)ccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463954694 1068574413 /nfs/dbraw/zinc/57/44/13/1068574413.db2.gz WYGIWGOSOCXLOU-DEDYPNTBSA-N 0 0 457.983 4.887 20 0 JJADRN O=S(=O)(NCc1ccc(COc2ccc(F)cc2)cc1)c1cscc1Br ZINC001463958420 1068575314 /nfs/dbraw/zinc/57/53/14/1068575314.db2.gz DHNJLERFIXAREV-UHFFFAOYSA-N 0 0 456.358 4.707 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001463961922 1068575761 /nfs/dbraw/zinc/57/57/61/1068575761.db2.gz MVAPYRLLCJEINE-BJKOFHAPSA-N 0 0 473.635 4.858 20 0 JJADRN O=C(Cc1nc(C(F)(F)F)cs1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC001463965453 1068577312 /nfs/dbraw/zinc/57/73/12/1068577312.db2.gz DNQIJASXUHAZKZ-UHFFFAOYSA-N 0 0 455.893 4.981 20 0 JJADRN Cc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1F ZINC001463968911 1068577772 /nfs/dbraw/zinc/57/77/72/1068577772.db2.gz DGWUBVGJZSNHFD-CXUHLZMHSA-N 0 0 453.322 4.907 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001546143094 1068577918 /nfs/dbraw/zinc/57/79/18/1068577918.db2.gz YIWYPIAZHNYOJJ-CEXWTWQISA-N 0 0 463.692 4.913 20 0 JJADRN Cc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)c1F ZINC001463968919 1068577953 /nfs/dbraw/zinc/57/79/53/1068577953.db2.gz DGWUBVGJZSNHFD-SXGWCWSVSA-N 0 0 453.322 4.907 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c2ccccc12 ZINC001463972212 1068578682 /nfs/dbraw/zinc/57/86/82/1068578682.db2.gz UQIHQTXJXLCDSI-LSTHTHJFSA-N 0 0 461.624 4.909 20 0 JJADRN O=S(=O)(c1cccc2cccnc21)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001463976479 1068579711 /nfs/dbraw/zinc/57/97/11/1068579711.db2.gz LCOJJQWAMMCCSK-UHFFFAOYSA-N 0 0 456.782 4.706 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 ZINC001463977353 1068580114 /nfs/dbraw/zinc/58/01/14/1068580114.db2.gz POKDRZKFSDTRSE-UHFFFAOYSA-N 0 0 451.828 4.880 20 0 JJADRN Cc1c(Br)cccc1CNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001463978707 1068580458 /nfs/dbraw/zinc/58/04/58/1068580458.db2.gz MDKKSVQTWYDUNQ-UHFFFAOYSA-N 0 0 458.246 4.890 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001463985745 1068581264 /nfs/dbraw/zinc/58/12/64/1068581264.db2.gz SNGKMRZORSKTDO-CQSZACIVSA-N 0 0 456.391 4.970 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)c1 ZINC001463986827 1068581376 /nfs/dbraw/zinc/58/13/76/1068581376.db2.gz CCEITEMZYZHLCU-SFHVURJKSA-N 0 0 451.972 4.532 20 0 JJADRN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 ZINC001463989252 1068581923 /nfs/dbraw/zinc/58/19/23/1068581923.db2.gz ZZTOKRJAYHAXBN-HSZRJFAPSA-N 0 0 454.617 4.555 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(ccc(Br)c4C)[nH]3)CC2)cc1 ZINC001463988985 1068581972 /nfs/dbraw/zinc/58/19/72/1068581972.db2.gz MPONYGYKBPUTEB-UHFFFAOYSA-N 0 0 455.352 4.983 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)C2)c1 ZINC001463992048 1068583253 /nfs/dbraw/zinc/58/32/53/1068583253.db2.gz OGRNBIQOLYGVAM-QHCPKHFHSA-N 0 0 454.910 4.769 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)NC2(c3ccccc3Br)CCC2)c1 ZINC001463997248 1068583585 /nfs/dbraw/zinc/58/35/85/1068583585.db2.gz BGJWXDUGVYIUEY-UHFFFAOYSA-N 0 0 459.203 4.878 20 0 JJADRN COc1cc(CNC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001463998697 1068584244 /nfs/dbraw/zinc/58/42/44/1068584244.db2.gz XJNYOKWBUWZRAG-FCHUYYIVSA-N 0 0 468.594 4.974 20 0 JJADRN COc1ccc(Cl)c(N2CCN(S(=O)(=O)c3sc4ccccc4c3Cl)CC2)c1 ZINC001463999800 1068584516 /nfs/dbraw/zinc/58/45/16/1068584516.db2.gz SKRMFHNPUOBUHE-UHFFFAOYSA-N 0 0 457.404 4.728 20 0 JJADRN Cc1nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998435 1068584550 /nfs/dbraw/zinc/58/45/50/1068584550.db2.gz DSXYHDAWAXTTMN-FHWLQOOXSA-N 0 0 455.649 4.791 20 0 JJADRN COc1cc(NC(=O)c2c[nH]c3cccc(Br)c23)cc(OC)c1Br ZINC001546143536 1068584874 /nfs/dbraw/zinc/58/48/74/1068584874.db2.gz MPXJPDKUMFIEQH-UHFFFAOYSA-N 0 0 454.118 4.962 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C1CCC(C)CC1 ZINC001464000647 1068584953 /nfs/dbraw/zinc/58/49/53/1068584953.db2.gz PJOGMIJLFZEMOS-HTIOENIKSA-N 0 0 458.624 4.708 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNS(=O)(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC001464007000 1068587021 /nfs/dbraw/zinc/58/70/21/1068587021.db2.gz JXUITTZYTIHKBQ-SANMLTNESA-N 0 0 451.588 4.516 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cc12 ZINC001464006472 1068587258 /nfs/dbraw/zinc/58/72/58/1068587258.db2.gz MAFUIPAGMJFIHJ-VXGBXAGGSA-N 0 0 453.395 4.588 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001464007924 1068587310 /nfs/dbraw/zinc/58/73/10/1068587310.db2.gz MGDAMHSNSZOBTA-GJZGRUSLSA-N 0 0 458.407 4.758 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cc1 ZINC001464007261 1068587326 /nfs/dbraw/zinc/58/73/26/1068587326.db2.gz TXDOMNJXEVIWDR-QFIPXVFZSA-N 0 0 458.580 4.986 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001464008363 1068587765 /nfs/dbraw/zinc/58/77/65/1068587765.db2.gz UAGUBUMFYIQISI-UHFFFAOYSA-N 0 0 456.214 4.726 20 0 JJADRN COc1cc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)cc(OC)c1Br ZINC001546143604 1068588153 /nfs/dbraw/zinc/58/81/53/1068588153.db2.gz OOALNVCHPPWDEX-LJQANCHMSA-N 0 0 453.720 4.642 20 0 JJADRN O=S(=O)(C1=Cc2cc(Cl)ccc2OC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001464011787 1068588187 /nfs/dbraw/zinc/58/81/87/1068588187.db2.gz AFKWHJUCARFNKO-UHFFFAOYSA-N 0 0 459.782 4.532 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001464012626 1068588899 /nfs/dbraw/zinc/58/88/99/1068588899.db2.gz CEKMZYBQDIDYFL-OUKQBFOZSA-N 0 0 457.574 4.720 20 0 JJADRN O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001464014472 1068589359 /nfs/dbraw/zinc/58/93/59/1068589359.db2.gz IPLWCVXXDLBICW-UHFFFAOYSA-N 0 0 454.404 4.628 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CCNS(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001464017547 1068590659 /nfs/dbraw/zinc/59/06/59/1068590659.db2.gz ROFNVCJQWZTLPN-UHFFFAOYSA-N 0 0 450.645 4.849 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3cccc(Oc4ccc(F)cc4)n3)c2)n1 ZINC001464019708 1068590992 /nfs/dbraw/zinc/59/09/92/1068590992.db2.gz QEOXATPYANIBLJ-UHFFFAOYSA-N 0 0 453.495 4.763 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001464022368 1068591564 /nfs/dbraw/zinc/59/15/64/1068591564.db2.gz JIXBQCLWYOOJTD-UHFFFAOYSA-N 0 0 458.697 4.700 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001464023165 1068591593 /nfs/dbraw/zinc/59/15/93/1068591593.db2.gz FMZMMFRNCWLEJR-IAGOWNOFSA-N 0 0 456.029 4.557 20 0 JJADRN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)s1 ZINC001464024340 1068591815 /nfs/dbraw/zinc/59/18/15/1068591815.db2.gz FCOILTAEDBQOOV-IAGOWNOFSA-N 0 0 458.605 4.564 20 0 JJADRN CC(C)COc1ccc(S(=O)(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc1 ZINC001464027829 1068592852 /nfs/dbraw/zinc/59/28/52/1068592852.db2.gz FOZIPZSSDWYTLQ-LJQANCHMSA-N 0 0 456.427 4.750 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030210 1068593490 /nfs/dbraw/zinc/59/34/90/1068593490.db2.gz OJXMEVNBEANQLO-PMACEKPBSA-N 0 0 450.604 4.854 20 0 JJADRN Cc1c(S(=O)(=O)N[C@H]2CSCc3ccc(Br)cc32)c2ccccc2n1C ZINC001464031063 1068594028 /nfs/dbraw/zinc/59/40/28/1068594028.db2.gz RAELOTKFMZFHRI-KRWDZBQOSA-N 0 0 451.411 4.516 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cccc2scnc21 ZINC001464032401 1068594706 /nfs/dbraw/zinc/59/47/06/1068594706.db2.gz FKXONEFYKBDLHS-LJQANCHMSA-N 0 0 456.511 4.981 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001464035308 1068595095 /nfs/dbraw/zinc/59/50/95/1068595095.db2.gz QKDCXPUNCVBFTA-NRFANRHFSA-N 0 0 453.482 4.500 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)c1cc2ccccc2s1 ZINC001464038980 1068596201 /nfs/dbraw/zinc/59/62/01/1068596201.db2.gz KXOYPLDAHVTOIK-ORAYPTAESA-N 0 0 452.395 4.815 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)/C=C\c1ccccc1Cl ZINC001464039787 1068596306 /nfs/dbraw/zinc/59/63/06/1068596306.db2.gz SXJDESQIMOADCZ-NBXAUGAJSA-N 0 0 456.789 4.865 20 0 JJADRN C[C@@](O)(CC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC001464040249 1068596789 /nfs/dbraw/zinc/59/67/89/1068596789.db2.gz GJKMNOINHXZGHQ-AREMUKBSSA-N 0 0 453.966 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c2ccccc21 ZINC001464041393 1068597373 /nfs/dbraw/zinc/59/73/73/1068597373.db2.gz HLFTZHHEDOYWOK-PXDATVDWSA-N 0 0 450.579 4.888 20 0 JJADRN CN(C1CC(C)(C)CC(C)(C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001464041793 1068597473 /nfs/dbraw/zinc/59/74/73/1068597473.db2.gz LREHEYGTWWBUFI-OAQYLSRUSA-N 0 0 450.645 4.654 20 0 JJADRN O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@H](CO)Cc1ccco1 ZINC001464041817 1068597528 /nfs/dbraw/zinc/59/75/28/1068597528.db2.gz IWDHWAYMRYOHAH-HXUWFJFHSA-N 0 0 450.966 4.836 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@]3(C)Cc3ccc(OC(F)(F)F)cc3)ccc2O1 ZINC001464043345 1068598141 /nfs/dbraw/zinc/59/81/41/1068598141.db2.gz OUSNWKLRSQUEEV-QVKFZJNVSA-N 0 0 455.498 4.695 20 0 JJADRN CO[C@@](C)(CNS(=O)(=O)c1c(C)sc2ccc(Cl)cc21)COCc1ccccc1 ZINC001464052593 1068600917 /nfs/dbraw/zinc/60/09/17/1068600917.db2.gz SCJHLCVNCJFMHP-NRFANRHFSA-N 0 0 454.013 4.763 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc21 ZINC001464055928 1068601773 /nfs/dbraw/zinc/60/17/73/1068601773.db2.gz MROXJYIYKAKYDS-SFHVURJKSA-N 0 0 454.773 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N(Cc3ccc(F)cc3F)C3CC3)ccc2C1 ZINC001464059782 1068602292 /nfs/dbraw/zinc/60/22/92/1068602292.db2.gz YESSUMHQBCKIBD-UHFFFAOYSA-N 0 0 458.505 4.899 20 0 JJADRN O=C([C@@H]1CCNC(=O)C1)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC001464060801 1068602986 /nfs/dbraw/zinc/60/29/86/1068602986.db2.gz BBDMQWJIXLXPPE-MRXNPFEDSA-N 0 0 458.402 4.779 20 0 JJADRN O=C(NC[C@@H]1CC1(Cl)Cl)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464067543 1068604248 /nfs/dbraw/zinc/60/42/48/1068604248.db2.gz SNNABBSJHPIBFN-AWEZNQCLSA-N 0 0 455.267 4.877 20 0 JJADRN O=C(NCc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001464068874 1068604278 /nfs/dbraw/zinc/60/42/78/1068604278.db2.gz ZBHIBSUSYLCKHR-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC001464074594 1068606313 /nfs/dbraw/zinc/60/63/13/1068606313.db2.gz OYDCZIHYONVWQC-UHFFFAOYSA-N 0 0 456.539 4.688 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC[C@H](c1ccccc1)C(C)C ZINC001464075431 1068606369 /nfs/dbraw/zinc/60/63/69/1068606369.db2.gz YTWNUEZEMNNNOA-VXKWHMMOSA-N 0 0 454.615 4.933 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c(C)c1 ZINC001464075786 1068607047 /nfs/dbraw/zinc/60/70/47/1068607047.db2.gz XPMQDPBKNFFNEF-RTWAWAEBSA-N 0 0 459.631 4.872 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(C)c(C)cc4Cl)CC3)n2)cc1 ZINC001464077296 1068607810 /nfs/dbraw/zinc/60/78/10/1068607810.db2.gz YJKCZHMBDXRUPC-UHFFFAOYSA-N 0 0 452.986 4.706 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1S(=O)(=O)c1cc(C)cc(C)c1OC ZINC001464080102 1068608268 /nfs/dbraw/zinc/60/82/68/1068608268.db2.gz IBWKFXIQVNVBNB-KRWDZBQOSA-N 0 0 454.386 4.609 20 0 JJADRN COc1cccc([C@@]2(C)CCN(S(=O)(=O)c3cc(Br)c(Cl)cc3C)C2)c1 ZINC001464081347 1068608435 /nfs/dbraw/zinc/60/84/35/1068608435.db2.gz FVDBGHCVVXYDPF-IBGZPJMESA-N 0 0 458.805 4.772 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C(C)C)C3)cc2)n1 ZINC001464085316 1068609001 /nfs/dbraw/zinc/60/90/01/1068609001.db2.gz UEAGFUAZAVQQNN-HSZRJFAPSA-N 0 0 455.649 4.650 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@](C)(OC)C2)CCCC1 ZINC001546144250 1068609127 /nfs/dbraw/zinc/60/91/27/1068609127.db2.gz HFTHMSWYBDSHLD-NBGIEHNGSA-N 0 0 491.677 4.562 20 0 JJADRN CCN(CC)C(=O)COc1cccc(NC(=O)c2ccccc2CSC2=NCCS2)c1 ZINC001464086707 1068609764 /nfs/dbraw/zinc/60/97/64/1068609764.db2.gz NCAVXEYIQQSHLX-UHFFFAOYSA-N 0 0 457.621 4.522 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@@H](O)CC[C@H](C)CC)c2)c1C(F)(F)F ZINC001464086771 1068610441 /nfs/dbraw/zinc/61/04/41/1068610441.db2.gz DTRHLIUOVUQAKY-PBHICJAKSA-N 0 0 455.477 4.584 20 0 JJADRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001464089552 1068610879 /nfs/dbraw/zinc/61/08/79/1068610879.db2.gz YOAYCIJVGQFDKT-UHFFFAOYSA-N 0 0 453.945 4.823 20 0 JJADRN CCN(Cc1cccc(NC(=O)C[S@](=O)c2ccc(Cl)cc2)c1)C(=O)OC(C)(C)C ZINC001464089959 1068611525 /nfs/dbraw/zinc/61/15/25/1068611525.db2.gz VZJDHGJPXIZMIN-PMERELPUSA-N 0 0 450.988 4.843 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cnc3ccc(Br)cc3c2O)ccc1OC(C)C ZINC001464092384 1068611874 /nfs/dbraw/zinc/61/18/74/1068611874.db2.gz BKVJVTYVISBVRD-ZDUSSCGKSA-N 0 0 459.340 4.577 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001464096182 1068613388 /nfs/dbraw/zinc/61/33/88/1068613388.db2.gz KEXAUZHYBIESNB-LJQANCHMSA-N 0 0 450.362 4.816 20 0 JJADRN COc1ccc(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)cc1NC(=O)OC(C)(C)C ZINC001464097472 1068614144 /nfs/dbraw/zinc/61/41/44/1068614144.db2.gz YLJUUMNTXMGTFY-UHFFFAOYSA-N 0 0 450.417 4.961 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)cc1)C1CCOCC1 ZINC001464098367 1068614614 /nfs/dbraw/zinc/61/46/14/1068614614.db2.gz VJPQTTBSEVJDOM-ZHZULCJRSA-N 0 0 450.432 4.906 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc(C)c(Cl)cc1C=O ZINC001464110820 1068618723 /nfs/dbraw/zinc/61/87/23/1068618723.db2.gz LMDGRYIQUVFPPB-UHFFFAOYSA-N 0 0 454.125 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC001464114890 1068619408 /nfs/dbraw/zinc/61/94/08/1068619408.db2.gz VVEVSUUXORMZLY-JOCHJYFZSA-N 0 0 453.564 4.790 20 0 JJADRN Cc1cc(Br)c(CNS(=O)(=O)c2ccc(OCc3ccccc3)cc2)s1 ZINC001464113578 1068619427 /nfs/dbraw/zinc/61/94/27/1068619427.db2.gz TXJLOEQJYHCKLO-UHFFFAOYSA-N 0 0 452.395 4.877 20 0 JJADRN O=S(=O)(N[C@@H](C(F)F)C1CCCCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001464117583 1068620535 /nfs/dbraw/zinc/62/05/35/1068620535.db2.gz RAGZCGVDLWDZEF-CYBMUJFWSA-N 0 0 450.267 4.960 20 0 JJADRN NC(=O)[C@H]1CCCCN1C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC001464120269 1068621841 /nfs/dbraw/zinc/62/18/41/1068621841.db2.gz GNDLSZKUDDSISP-RUZDIDTESA-N 0 0 458.627 4.968 20 0 JJADRN COc1cc(N)c(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1Br ZINC001464122233 1068622339 /nfs/dbraw/zinc/62/23/39/1068622339.db2.gz LYUMIENMLZGSOJ-ZDUSSCGKSA-N 0 0 451.361 4.574 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2)ccc1Cl ZINC001464124629 1068623741 /nfs/dbraw/zinc/62/37/41/1068623741.db2.gz RUAFBQHZGOCXNM-GOSISDBHSA-N 0 0 457.979 4.949 20 0 JJADRN CCn1cnnc1-c1cccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 ZINC001464125794 1068624298 /nfs/dbraw/zinc/62/42/98/1068624298.db2.gz WWBIDXAYHHHPFN-UHFFFAOYSA-N 0 0 452.584 4.729 20 0 JJADRN COc1ccc([C@H](C)NC(=O)CCOc2cccc(Br)c2)cc1Br ZINC001464127635 1068625497 /nfs/dbraw/zinc/62/54/97/1068625497.db2.gz IHRYEXOPEYKXSK-LBPRGKRZSA-N 0 0 457.162 4.867 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1Br ZINC001464127438 1068625507 /nfs/dbraw/zinc/62/55/07/1068625507.db2.gz HHMDBAASYKDFEW-FVQBIDKESA-N 0 0 455.393 4.718 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001464128340 1068626123 /nfs/dbraw/zinc/62/61/23/1068626123.db2.gz DDEFFLSCTXSAGG-KKSFZXQISA-N 0 0 450.385 4.912 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c(C(F)(F)F)nc2ccccn21 ZINC001464133073 1068628607 /nfs/dbraw/zinc/62/86/07/1068628607.db2.gz XAYPTALDGRAZNN-OAHLLOKOSA-N 0 0 454.855 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC001464135779 1068629208 /nfs/dbraw/zinc/62/92/08/1068629208.db2.gz ZAZRMUCSDHFSHU-IBGZPJMESA-N 0 0 451.567 4.948 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546144690 1068629218 /nfs/dbraw/zinc/62/92/18/1068629218.db2.gz QMAVDOKCDJXQNW-FQEVSTJZSA-N 0 0 477.694 4.909 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546144691 1068629783 /nfs/dbraw/zinc/62/97/83/1068629783.db2.gz QMAVDOKCDJXQNW-HXUWFJFHSA-N 0 0 477.694 4.909 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136494 1068629957 /nfs/dbraw/zinc/62/99/57/1068629957.db2.gz KSBDTGKFGVVZJN-VQTJNVASSA-N 0 0 450.341 4.579 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC001464138530 1068630493 /nfs/dbraw/zinc/63/04/93/1068630493.db2.gz SGQDRVBLWAWTFS-HXUWFJFHSA-N 0 0 450.023 4.821 20 0 JJADRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)s1 ZINC001464138886 1068631051 /nfs/dbraw/zinc/63/10/51/1068631051.db2.gz QFEGAKQOUHGHGK-OSPHWJPCSA-N 0 0 456.633 4.884 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2N)cc1NS(=O)(=O)c1ccccc1 ZINC001464145515 1068633754 /nfs/dbraw/zinc/63/37/54/1068633754.db2.gz KCRYFVLQJVZEHJ-UHFFFAOYSA-N 0 0 450.347 4.937 20 0 JJADRN O=S(=O)(NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001464146427 1068633774 /nfs/dbraw/zinc/63/37/74/1068633774.db2.gz BFWWALRROWAVSJ-IBGZPJMESA-N 0 0 457.857 4.562 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 ZINC001464147844 1068633834 /nfs/dbraw/zinc/63/38/34/1068633834.db2.gz INIZPXFKJVUZNK-LLVKDONJSA-N 0 0 450.807 4.665 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)NC[C@]2(c3ccccc3)CC2(C)C)cc1Cl ZINC001464149409 1068634510 /nfs/dbraw/zinc/63/45/10/1068634510.db2.gz LVQAMNMQHBEZOW-IBGZPJMESA-N 0 0 458.805 4.757 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C ZINC001464160869 1068638413 /nfs/dbraw/zinc/63/84/13/1068638413.db2.gz QESWEHVJNAUJFV-SFHVURJKSA-N 0 0 455.603 4.954 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cnc(Cl)cc1C(F)(F)F ZINC001464163139 1068638839 /nfs/dbraw/zinc/63/88/39/1068638839.db2.gz YTORAVDYICMYNB-UHFFFAOYSA-N 0 0 455.845 4.807 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCc3ccnc(OCc4ccccc4)c3)[nH]n2)c1C ZINC001464163327 1068639598 /nfs/dbraw/zinc/63/95/98/1068639598.db2.gz AVFHPVNHFAROSF-QGZVFWFLSA-N 0 0 458.566 4.765 20 0 JJADRN O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001464165650 1068640151 /nfs/dbraw/zinc/64/01/51/1068640151.db2.gz HZJAVZJNZSEZLZ-UHFFFAOYSA-N 0 0 453.420 4.863 20 0 JJADRN C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464165499 1068640256 /nfs/dbraw/zinc/64/02/56/1068640256.db2.gz UDGXVPPGVSJQIP-HNNXBMFYSA-N 0 0 452.523 4.832 20 0 JJADRN Cc1ccc2snc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)c2c1 ZINC001464166309 1068640484 /nfs/dbraw/zinc/64/04/84/1068640484.db2.gz VJZXSYIKRQNKLI-UHFFFAOYSA-N 0 0 459.499 4.936 20 0 JJADRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464166389 1068640889 /nfs/dbraw/zinc/64/08/89/1068640889.db2.gz WYOBURVYXOQDEQ-MSOLQXFVSA-N 0 0 456.514 4.973 20 0 JJADRN 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0 0 458.683 4.608 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(OC(C)(C)C)cc3)c2)cc1 ZINC001464484655 1068762894 /nfs/dbraw/zinc/76/28/94/1068762894.db2.gz NRIORZYKCLQANG-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN Cc1occc1C(=O)NCC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC001464490413 1068764693 /nfs/dbraw/zinc/76/46/93/1068764693.db2.gz BDWDLFQUFBQRFX-UHFFFAOYSA-N 0 0 459.424 4.536 20 0 JJADRN O=S(=O)(NCC1C[C@H]2CC[C@@H](C1)S2)c1csc(-c2ccc(Br)cc2)n1 ZINC001464495961 1068766329 /nfs/dbraw/zinc/76/63/29/1068766329.db2.gz DLPYYSXDXNVFBZ-PHTAMDTFSA-N 0 0 459.456 4.525 20 0 JJADRN COCCCNC(=O)CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 ZINC001464501203 1068766931 /nfs/dbraw/zinc/76/69/31/1068766931.db2.gz NRGCICXIHIHJCF-UHFFFAOYSA-N 0 0 459.757 4.664 20 0 JJADRN O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC001464502282 1068767334 /nfs/dbraw/zinc/76/73/34/1068767334.db2.gz JSFGGWYPJKXISK-DHIUTWEWSA-N 0 0 460.521 4.695 20 0 JJADRN C[C@H](NC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC001464503238 1068767360 /nfs/dbraw/zinc/76/73/60/1068767360.db2.gz WBXNCYGRXHRAGJ-SFHVURJKSA-N 0 0 459.587 4.686 20 0 JJADRN CCOc1cc(/C=C\C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)ccc1O ZINC001464503103 1068767371 /nfs/dbraw/zinc/76/73/71/1068767371.db2.gz KVZVAOQCTIYLFR-POHAHGRESA-N 0 0 459.468 4.942 20 0 JJADRN C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC001464501862 1068767499 /nfs/dbraw/zinc/76/74/99/1068767499.db2.gz BSURYMROAMTZIS-KRWDZBQOSA-N 0 0 456.995 4.914 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3c(O)cnc4c(Br)cccc43)cc2)C[C@@H](C)O1 ZINC001464508912 1068768734 /nfs/dbraw/zinc/76/87/34/1068768734.db2.gz ZHQNKYUEADFPLS-ZIAGYGMSSA-N 0 0 456.340 4.569 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3ccccc3CCNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001464507760 1068768884 /nfs/dbraw/zinc/76/88/84/1068768884.db2.gz RGFCLGVWAVVBGL-OALUTQOASA-N 0 0 453.583 4.620 20 0 JJADRN CN(CC(=O)NCCOc1ccccc1-c1ccccc1)c1ccc(C(F)(F)F)cc1C=O ZINC001464509925 1068769451 /nfs/dbraw/zinc/76/94/51/1068769451.db2.gz DTDWSUBHMACOLX-UHFFFAOYSA-N 0 0 456.464 4.816 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc2s1 ZINC001464511773 1068769462 /nfs/dbraw/zinc/76/94/62/1068769462.db2.gz KYCKHIBHRWMENY-OAHLLOKOSA-N 0 0 450.561 4.743 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccccc2NCc2ccco2)CC1 ZINC001464511430 1068769484 /nfs/dbraw/zinc/76/94/84/1068769484.db2.gz DARDVCYPSAQKGV-UHFFFAOYSA-N 0 0 452.942 4.925 20 0 JJADRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001464516280 1068770589 /nfs/dbraw/zinc/77/05/89/1068770589.db2.gz ZRXQDOGTSXPGRU-SFHVURJKSA-N 0 0 450.576 4.567 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)Cc1ccccc1 ZINC001464516967 1068770681 /nfs/dbraw/zinc/77/06/81/1068770681.db2.gz LLCNZLNPXWQKDO-SFHVURJKSA-N 0 0 454.567 4.765 20 0 JJADRN Cc1[nH]c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)cc2c1C ZINC001464520889 1068771701 /nfs/dbraw/zinc/77/17/01/1068771701.db2.gz RZFJGRGRARCXAQ-QGZVFWFLSA-N 0 0 453.608 4.586 20 0 JJADRN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001464521291 1068771829 /nfs/dbraw/zinc/77/18/29/1068771829.db2.gz SOCMQZLOMVJDNH-ODAUKNCYSA-N 0 0 452.457 4.846 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001464521239 1068771846 /nfs/dbraw/zinc/77/18/46/1068771846.db2.gz RVLYLOFYWDHWOP-GOSISDBHSA-N 0 0 459.518 4.754 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC001464523827 1068772213 /nfs/dbraw/zinc/77/22/13/1068772213.db2.gz PIIIEZKQUSFHIA-UHFFFAOYSA-N 0 0 454.567 4.745 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 ZINC001464527598 1068773514 /nfs/dbraw/zinc/77/35/14/1068773514.db2.gz GBIDDIPECYJZAR-HXUWFJFHSA-N 0 0 456.514 4.548 20 0 JJADRN CCc1c(Br)cc(C(=O)NCCn2cnc3ccccc32)cc1Br ZINC001464528545 1068773573 /nfs/dbraw/zinc/77/35/73/1068773573.db2.gz FMNHMFGNUJMZFN-UHFFFAOYSA-N 0 0 451.162 4.554 20 0 JJADRN Cc1[nH]c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(Br)c(C)c4)C3)cc2c1C ZINC001464528240 1068773586 /nfs/dbraw/zinc/77/35/86/1068773586.db2.gz TZIXWMUJOMJTKN-KRWDZBQOSA-N 0 0 454.368 4.525 20 0 JJADRN C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001464530363 1068773953 /nfs/dbraw/zinc/77/39/53/1068773953.db2.gz PORZVNQEWFIESX-MRXNPFEDSA-N 0 0 455.352 4.756 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1 ZINC001464534777 1068774610 /nfs/dbraw/zinc/77/46/10/1068774610.db2.gz AAYREQMETURSPP-UHFFFAOYSA-N 0 0 457.571 4.505 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N1CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC1)c(C)n2C ZINC001464537186 1068775101 /nfs/dbraw/zinc/77/51/01/1068775101.db2.gz CMLLTZFTKRMJKM-OAQYLSRUSA-N 0 0 455.599 4.747 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CCC1 ZINC001464537352 1068775654 /nfs/dbraw/zinc/77/56/54/1068775654.db2.gz DAOMAAAIXQOBIQ-LJQANCHMSA-N 0 0 450.620 4.527 20 0 JJADRN O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1[nH]cnc1C(F)(F)F ZINC001464537284 1068775712 /nfs/dbraw/zinc/77/57/12/1068775712.db2.gz MJEPZSUNSGKTHS-UHFFFAOYSA-N 0 0 459.859 4.907 20 0 JJADRN COCCN(C(=O)CSc1nc2ccccc2nc1N1CCCC1)[C@@H](C)c1ccccc1 ZINC001464542248 1068776833 /nfs/dbraw/zinc/77/68/33/1068776833.db2.gz NJGOZSASBYFQPJ-IBGZPJMESA-N 0 0 450.608 4.558 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3OC(C)C)n[nH]2)c1C ZINC001464542613 1068777331 /nfs/dbraw/zinc/77/73/31/1068777331.db2.gz OCQIFGGAVINLHG-UHFFFAOYSA-N 0 0 453.543 4.516 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001464545136 1068777849 /nfs/dbraw/zinc/77/78/49/1068777849.db2.gz RANSOWNSXIYDJF-NRFANRHFSA-N 0 0 454.615 4.627 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)cc1 ZINC001464550076 1068778871 /nfs/dbraw/zinc/77/88/71/1068778871.db2.gz SAMXDFUXKYKNGQ-SFHVURJKSA-N 0 0 458.415 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCC(=O)N1CCCCCC1)CC1CCCCC1 ZINC001464556205 1068780566 /nfs/dbraw/zinc/78/05/66/1068780566.db2.gz MNPUIVFEBVBERW-NRFANRHFSA-N 0 0 451.652 4.539 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1ccc([S@](C)=O)cc1 ZINC001546147871 1068781252 /nfs/dbraw/zinc/78/12/52/1068781252.db2.gz XZYAEXWJUHCOIH-GEFUHLBYSA-N 0 0 452.542 4.503 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1ccc([S@](C)=O)cc1 ZINC001546147874 1068781801 /nfs/dbraw/zinc/78/18/01/1068781801.db2.gz XZYAEXWJUHCOIH-QJWGWKRISA-N 0 0 452.542 4.503 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(Br)c2nccn2c1 ZINC001464559810 1068781904 /nfs/dbraw/zinc/78/19/04/1068781904.db2.gz BAONLIHCCKGRSP-UHFFFAOYSA-N 0 0 456.344 4.757 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001464565685 1068783656 /nfs/dbraw/zinc/78/36/56/1068783656.db2.gz RCNUXHWVVXHGKO-DSITVLBTSA-N 0 0 452.595 4.954 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21 ZINC001464566194 1068783666 /nfs/dbraw/zinc/78/36/66/1068783666.db2.gz OSNVQSQJTVXGSW-VQTJNVASSA-N 0 0 470.614 4.532 20 0 JJADRN CCC1(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CCN(C(=O)c2ccccc2)CC1 ZINC001464568884 1068785197 /nfs/dbraw/zinc/78/51/97/1068785197.db2.gz WGKCTYQEZKBXIY-HXUWFJFHSA-N 0 0 454.014 4.615 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC001464569484 1068785701 /nfs/dbraw/zinc/78/57/01/1068785701.db2.gz JRQLAWDZHQVDMA-QHCPKHFHSA-N 0 0 459.464 4.973 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2)cc1 ZINC001464569470 1068785776 /nfs/dbraw/zinc/78/57/76/1068785776.db2.gz JHCTVIZSOWXMIM-UHFFFAOYSA-N 0 0 452.894 4.649 20 0 JJADRN CN(C)c1ccccc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464571194 1068786285 /nfs/dbraw/zinc/78/62/85/1068786285.db2.gz NHJPMFCMDPDYCF-IBGZPJMESA-N 0 0 451.489 4.654 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001464571864 1068786957 /nfs/dbraw/zinc/78/69/57/1068786957.db2.gz OLYYGZNDSVFOLR-VXKWHMMOSA-N 0 0 451.567 4.640 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccccc1Br ZINC001464573128 1068787242 /nfs/dbraw/zinc/78/72/42/1068787242.db2.gz QHKCPOYRPPGJKI-MOPGFXCFSA-N 0 0 451.405 4.772 20 0 JJADRN Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@@H](CS(C)(=O)=O)c3ccccc3)cc2C)c1 ZINC001464573933 1068787301 /nfs/dbraw/zinc/78/73/01/1068787301.db2.gz GVBFZQGAQDOMIL-DEOSSOPVSA-N 0 0 451.588 4.849 20 0 JJADRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)c2)C1 ZINC001464573517 1068787318 /nfs/dbraw/zinc/78/73/18/1068787318.db2.gz LPWMDEPCFMVIIC-DYESRHJHSA-N 0 0 456.587 4.792 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC001464573015 1068787330 /nfs/dbraw/zinc/78/73/30/1068787330.db2.gz MJYLMPUSDRSZPX-QGZVFWFLSA-N 0 0 456.789 4.968 20 0 JJADRN Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](CS(C)(=O)=O)c3ccccc3)cc2C)c1 ZINC001464573935 1068787746 /nfs/dbraw/zinc/78/77/46/1068787746.db2.gz GVBFZQGAQDOMIL-XMMPIXPASA-N 0 0 451.588 4.849 20 0 JJADRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574148 1068787783 /nfs/dbraw/zinc/78/77/83/1068787783.db2.gz OGEVIHJNNMICDW-NFBKMPQASA-N 0 0 459.631 4.663 20 0 JJADRN CCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001464574669 1068788279 /nfs/dbraw/zinc/78/82/79/1068788279.db2.gz ABEWSPKSEQDBQV-UHFFFAOYSA-N 0 0 454.592 4.995 20 0 JJADRN O=c1ccc2cc(S(=O)(=O)N[C@H](c3ccc(Cl)cc3Cl)C(F)(F)F)ccc2o1 ZINC001464576157 1068788782 /nfs/dbraw/zinc/78/87/82/1068788782.db2.gz BQURLBBIYCXKEL-MRXNPFEDSA-N 0 0 452.237 4.682 20 0 JJADRN CCOC(=O)N1CCCN(C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC001464582863 1068791008 /nfs/dbraw/zinc/79/10/08/1068791008.db2.gz JLSWNHAUDWARAU-FQEVSTJZSA-N 0 0 451.350 4.804 20 0 JJADRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC001464587314 1068792032 /nfs/dbraw/zinc/79/20/32/1068792032.db2.gz WGMLYZXDFYYNAT-UHFFFAOYSA-N 0 0 458.584 4.606 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c1 ZINC001464590024 1068792468 /nfs/dbraw/zinc/79/24/68/1068792468.db2.gz QYXAUOBAANVWOA-INIZCTEOSA-N 0 0 458.809 4.932 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)C1 ZINC001464589061 1068792610 /nfs/dbraw/zinc/79/26/10/1068792610.db2.gz QAIDIZLJIZWRNN-LJQANCHMSA-N 0 0 451.449 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC001464588805 1068792725 /nfs/dbraw/zinc/79/27/25/1068792725.db2.gz UANLNLPDEVWLCY-IBGZPJMESA-N 0 0 451.350 4.724 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001464594160 1068793680 /nfs/dbraw/zinc/79/36/80/1068793680.db2.gz AQRBFTXJSMUVEO-HFSMHLIXSA-N 0 0 457.615 4.888 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c2)cc1 ZINC001464594901 1068793690 /nfs/dbraw/zinc/79/36/90/1068793690.db2.gz IKMCCANUASTINJ-WXVUKLJWSA-N 0 0 458.624 4.934 20 0 JJADRN CC(C)(C)c1csc(C2CCN(S(=O)(=O)c3cc4nc(Cl)ncc4s3)CC2)n1 ZINC001464593940 1068793774 /nfs/dbraw/zinc/79/37/74/1068793774.db2.gz ZMXZPJRBZCRCPR-UHFFFAOYSA-N 0 0 457.046 4.667 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccnc3N(C)C)c2)cc1 ZINC001464599622 1068795414 /nfs/dbraw/zinc/79/54/14/1068795414.db2.gz DVUCAKKYQZEIEX-UHFFFAOYSA-N 0 0 452.580 4.543 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001464600790 1068795925 /nfs/dbraw/zinc/79/59/25/1068795925.db2.gz VMNNANBRWPAIBW-KRWDZBQOSA-N 0 0 455.555 4.880 20 0 JJADRN CCC1(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CCCC1 ZINC001546148107 1068795960 /nfs/dbraw/zinc/79/59/60/1068795960.db2.gz FKYLDTVUPMLZRY-UHFFFAOYSA-N 0 0 461.536 4.623 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)c1cccs1 ZINC001464608665 1068798232 /nfs/dbraw/zinc/79/82/32/1068798232.db2.gz BWGSDAONAPZVBQ-OAQYLSRUSA-N 0 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CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1Br ZINC001464616014 1068800502 /nfs/dbraw/zinc/80/05/02/1068800502.db2.gz PAFTXXFQLXGQPT-MRXNPFEDSA-N 0 0 451.365 4.605 20 0 JJADRN CN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001464618859 1068801243 /nfs/dbraw/zinc/80/12/43/1068801243.db2.gz CLFCLELNUPUHPP-HXUWFJFHSA-N 0 0 458.415 4.693 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)cc1 ZINC001464626496 1068803252 /nfs/dbraw/zinc/80/32/52/1068803252.db2.gz LTYYFQXLMDMTBE-DEOSSOPVSA-N 0 0 450.645 4.928 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N2CCc3cc(F)c(Br)cc3C2)cc1C ZINC001464628972 1068803446 /nfs/dbraw/zinc/80/34/46/1068803446.db2.gz NUZRQLSGZNCEDE-UHFFFAOYSA-N 0 0 456.377 4.776 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC001464632504 1068804631 /nfs/dbraw/zinc/80/46/31/1068804631.db2.gz ULEKMIFIVBYEDB-BTYIYWSLSA-N 0 0 454.368 4.943 20 0 JJADRN COc1ccc(C2(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)CCCC2)cc1 ZINC001464632302 1068804719 /nfs/dbraw/zinc/80/47/19/1068804719.db2.gz RLOJPBMVMIQVBV-UHFFFAOYSA-N 0 0 452.429 4.711 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cnn(C)c2)c1C ZINC001464633045 1068804776 /nfs/dbraw/zinc/80/47/76/1068804776.db2.gz UPMVSPOOHWBZIK-FQEVSTJZSA-N 0 0 457.372 4.576 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H](C)Cc1cnc2ccccc2n1 ZINC001464632506 1068804997 /nfs/dbraw/zinc/80/49/97/1068804997.db2.gz ULEKMIFIVBYEDB-QVKFZJNVSA-N 0 0 454.368 4.943 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC001464633848 1068805567 /nfs/dbraw/zinc/80/55/67/1068805567.db2.gz XXCLYJZYMDGERW-SFHVURJKSA-N 0 0 453.546 4.885 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001464635819 1068806082 /nfs/dbraw/zinc/80/60/82/1068806082.db2.gz JICNMKABNJCQPH-IAGOWNOFSA-N 0 0 481.431 4.607 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)c2)n1 ZINC001464634981 1068806350 /nfs/dbraw/zinc/80/63/50/1068806350.db2.gz AAGSRFROHBITJH-AWEZNQCLSA-N 0 0 458.927 4.701 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001464638301 1068806905 /nfs/dbraw/zinc/80/69/05/1068806905.db2.gz WBDCPMJKBLGCNS-WVPZODRTSA-N 0 0 456.558 4.678 20 0 JJADRN O=S(=O)(Oc1cnc2cccc(Br)c2c1)c1ccc(F)cc1C(F)(F)F ZINC001464639330 1068807631 /nfs/dbraw/zinc/80/76/31/1068807631.db2.gz KSKLUMRZHZCWPK-UHFFFAOYSA-N 0 0 450.207 4.923 20 0 JJADRN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001464641701 1068808438 /nfs/dbraw/zinc/80/84/38/1068808438.db2.gz QNAUDSNKLCVJPA-UHFFFAOYSA-N 0 0 454.329 4.714 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOc2ccccc2C1)c1ccccc1C(F)(F)F ZINC001464642323 1068808476 /nfs/dbraw/zinc/80/84/76/1068808476.db2.gz SHOPENWPXPSQOA-IBGZPJMESA-N 0 0 450.457 4.692 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCOc2ccccc2C1)c1ccccc1C(F)(F)F ZINC001464642331 1068808540 /nfs/dbraw/zinc/80/85/40/1068808540.db2.gz SHOPENWPXPSQOA-LJQANCHMSA-N 0 0 450.457 4.692 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(C(F)(F)F)ccc1Br ZINC001464644588 1068809171 /nfs/dbraw/zinc/80/91/71/1068809171.db2.gz YDDGYBLYWCDNPR-OAHLLOKOSA-N 0 0 455.274 4.503 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546148419 1068809910 /nfs/dbraw/zinc/80/99/10/1068809910.db2.gz PHFVFDSHSTWQOV-UYAOXDASSA-N 0 0 471.621 4.938 20 0 JJADRN COc1ccc(CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)c(C(F)(F)F)c1 ZINC001464650079 1068811383 /nfs/dbraw/zinc/81/13/83/1068811383.db2.gz SLRDZYBNJDYBGE-NSHDSACASA-N 0 0 459.490 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC001464650016 1068811723 /nfs/dbraw/zinc/81/17/23/1068811723.db2.gz SCSLQKBBIIBBNZ-SFHVURJKSA-N 0 0 458.534 4.529 20 0 JJADRN COc1ccc(CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)c(C(F)(F)F)c1 ZINC001464650076 1068811747 /nfs/dbraw/zinc/81/17/47/1068811747.db2.gz SLRDZYBNJDYBGE-LLVKDONJSA-N 0 0 459.490 4.686 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC001464652864 1068812819 /nfs/dbraw/zinc/81/28/19/1068812819.db2.gz IWEBSFVWNQRDTK-UHFFFAOYSA-N 0 0 455.711 4.589 20 0 JJADRN O=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001464655668 1068813316 /nfs/dbraw/zinc/81/33/16/1068813316.db2.gz UDLPAQQMRHUUKK-SJCJKPOMSA-N 0 0 461.303 4.563 20 0 JJADRN O=C(N/C(=C\c1cccnc1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)c1ccccc1 ZINC001464657934 1068813865 /nfs/dbraw/zinc/81/38/65/1068813865.db2.gz XKYFHLLLGXVCLU-BKUYFWCQSA-N 0 0 452.341 4.744 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)co2)cc1 ZINC001464658055 1068814247 /nfs/dbraw/zinc/81/42/47/1068814247.db2.gz AEMFMMFJXZGLKB-UHFFFAOYSA-N 0 0 457.317 4.815 20 0 JJADRN O=C(C[C@H]1CCCS1(=O)=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 ZINC001464659835 1068815039 /nfs/dbraw/zinc/81/50/39/1068815039.db2.gz DWRLTBMDAYLMEM-OAHLLOKOSA-N 0 0 458.527 4.536 20 0 JJADRN CC(C)(CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)Cc1ccc(Cl)cc1 ZINC001464661043 1068815366 /nfs/dbraw/zinc/81/53/66/1068815366.db2.gz ZXHXRICBPGZCCF-UHFFFAOYSA-N 0 0 459.421 4.944 20 0 JJADRN Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1C ZINC001464663341 1068816704 /nfs/dbraw/zinc/81/67/04/1068816704.db2.gz NHPTUVLVXPCHJF-OAQYLSRUSA-N 0 0 450.645 4.683 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)co2)cc1 ZINC001464665939 1068817337 /nfs/dbraw/zinc/81/73/37/1068817337.db2.gz YUZLFRMAJCVFCX-UHFFFAOYSA-N 0 0 456.502 4.967 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2sc(C)nc2-c2ccccc2)c(F)cc1F ZINC001464668081 1068817650 /nfs/dbraw/zinc/81/76/50/1068817650.db2.gz SZPDEJDSUQEGQG-UHFFFAOYSA-N 0 0 451.520 4.801 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)c1 ZINC001464667171 1068817900 /nfs/dbraw/zinc/81/79/00/1068817900.db2.gz XPYSBXMPLIKBMV-UHFFFAOYSA-N 0 0 459.930 4.589 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)[C@@H]3C[C@@]3(C)c3cccc(Br)c3)co2)cc1 ZINC001464669071 1068818460 /nfs/dbraw/zinc/81/84/60/1068818460.db2.gz MUJOBAJWHIHDCY-REWPJTCUSA-N 0 0 455.352 4.749 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)co2)cc1 ZINC001464669224 1068818533 /nfs/dbraw/zinc/81/85/33/1068818533.db2.gz NGDMIMOZJOOOGZ-UHFFFAOYSA-N 0 0 457.408 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC001464670116 1068818812 /nfs/dbraw/zinc/81/88/12/1068818812.db2.gz YURJHEKLEWSPFB-UHFFFAOYSA-N 0 0 451.405 4.800 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)C1)Nc1cccc(F)c1 ZINC001464675519 1068820905 /nfs/dbraw/zinc/82/09/05/1068820905.db2.gz ZOUHADUFLHHRJH-GFCCVEGCSA-N 0 0 458.843 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)C1CCC1 ZINC001464678914 1068821818 /nfs/dbraw/zinc/82/18/18/1068821818.db2.gz NBHGFAMYLZWIOG-OAQYLSRUSA-N 0 0 452.555 4.640 20 0 JJADRN CCCCNC(=O)C1(NC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)CCCCC1 ZINC001464681798 1068823019 /nfs/dbraw/zinc/82/30/19/1068823019.db2.gz FMODARRAVDWKDR-UHFFFAOYSA-N 0 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ZINC001464688609 1068825618 /nfs/dbraw/zinc/82/56/18/1068825618.db2.gz SFWFQMIZUFKFOK-UHFFFAOYSA-N 0 0 454.636 4.802 20 0 JJADRN CC1(C)Cc2cc(S(=O)(=O)N3CCC[C@H]3Cc3ccc(Br)cc3)ccc2O1 ZINC001464697991 1068828489 /nfs/dbraw/zinc/82/84/89/1068828489.db2.gz ULZBCFCVOVXFNR-SFHVURJKSA-N 0 0 450.398 4.558 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001464700357 1068829195 /nfs/dbraw/zinc/82/91/95/1068829195.db2.gz CPYXUEYMUQWQCT-GOSISDBHSA-N 0 0 455.640 4.660 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001464706135 1068832054 /nfs/dbraw/zinc/83/20/54/1068832054.db2.gz FMELMCSQTQUYFF-OAQYLSRUSA-N 0 0 455.396 4.992 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001464706217 1068832262 /nfs/dbraw/zinc/83/22/62/1068832262.db2.gz GFFNEJHVLGMKEZ-SFHVURJKSA-N 0 0 451.723 4.830 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCCC3)nc2)cc1 ZINC001464706071 1068832286 /nfs/dbraw/zinc/83/22/86/1068832286.db2.gz 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Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)cnc2Cl)c1 ZINC001164649607 719306279 /nfs/dbraw/zinc/30/62/79/719306279.db2.gz VETNAZUXBRMBLW-AVCGJXAMSA-N 0 0 475.967 4.862 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164648377 719311666 /nfs/dbraw/zinc/31/16/66/719311666.db2.gz JOYAEJAGOQCSAT-UHFFFAOYSA-N 0 0 469.367 4.883 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164648701 719312727 /nfs/dbraw/zinc/31/27/27/719312727.db2.gz KPHWNYAIIDHYNU-UHFFFAOYSA-N 0 0 460.960 4.744 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164652023 719315028 /nfs/dbraw/zinc/31/50/28/719315028.db2.gz LRNVDVPOOIMWNC-UHFFFAOYSA-N 0 0 493.725 4.568 20 0 JJADRN O=S1(=O)c2ccccc2[C@]2(CCN([C@@H](F)c3ccnc(Cl)c3)C2)N1Cc1ccccc1 ZINC001164655309 719322783 /nfs/dbraw/zinc/32/27/83/719322783.db2.gz VZJSUZYCLOBJSS-DHIUTWEWSA-N 0 0 457.958 4.509 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164651743 719323147 /nfs/dbraw/zinc/32/31/47/719323147.db2.gz HWRNRQUFZSSNOX-UHFFFAOYSA-N 0 0 496.949 4.971 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)c(Cl)nn2)cc1 ZINC001164655945 719326791 /nfs/dbraw/zinc/32/67/91/719326791.db2.gz SAWITZPJCBWJAA-AVCGJXAMSA-N 0 0 490.982 4.550 20 0 JJADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C[C@H]2CCCO[C@@H]21 ZINC001164654761 719326826 /nfs/dbraw/zinc/32/68/26/719326826.db2.gz MUXZIPRSJZTWBO-FPDPHYFHSA-N 0 0 481.996 4.909 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](NC(=O)CC4CC4)[C@@H]4OCCC[C@H]4C3)c(Cl)nn2)c1 ZINC001164655169 719326865 /nfs/dbraw/zinc/32/68/65/719326865.db2.gz OQKISYCETHUYJK-QTGUNEKASA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164661314 719344079 /nfs/dbraw/zinc/34/40/79/719344079.db2.gz KMXWDLUCFVCKGN-HOJAQTOUSA-N 0 0 453.917 4.878 20 0 JJADRN 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ZINC001164664487 719348830 /nfs/dbraw/zinc/34/88/30/719348830.db2.gz VSHFDLHDWSIEFW-UHFFFAOYSA-N 0 0 489.023 4.987 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164658541 719350937 /nfs/dbraw/zinc/35/09/37/719350937.db2.gz ISIYPOWDHCLXPG-UHFFFAOYSA-N 0 0 480.041 4.743 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164658456 719352913 /nfs/dbraw/zinc/35/29/13/719352913.db2.gz HIWAMJKKZIDUPG-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164658024 719352976 /nfs/dbraw/zinc/35/29/76/719352976.db2.gz BGAXDUZXJQRSBQ-UHFFFAOYSA-N 0 0 465.605 4.542 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164659828 719353923 /nfs/dbraw/zinc/35/39/23/719353923.db2.gz SEHOTVFGOUESNF-UHFFFAOYSA-N 0 0 480.616 4.847 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164658890 719353952 /nfs/dbraw/zinc/35/39/52/719353952.db2.gz LGJOZUHAQZFHDE-UHFFFAOYSA-N 0 0 480.616 4.847 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164665696 719360004 /nfs/dbraw/zinc/36/00/04/719360004.db2.gz YJCOORQTJJGRSZ-UHFFFAOYSA-N 0 0 464.969 4.977 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)Cc2nn(CC3CC3)cc21 ZINC001164663727 719362947 /nfs/dbraw/zinc/36/29/47/719362947.db2.gz LPYZFOYKJVBJNI-AWEZNQCLSA-N 0 0 465.907 4.714 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)Cc2nn(CC3CC3)cc21 ZINC001164665144 719363419 /nfs/dbraw/zinc/36/34/19/719363419.db2.gz WQAWJXCQLMQSPE-CQSZACIVSA-N 0 0 465.907 4.714 20 0 JJADRN CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1Cl ZINC001164671241 719499470 /nfs/dbraw/zinc/49/94/70/719499470.db2.gz DBHUIPCPMIUBLN-UHFFFAOYSA-N 0 0 482.383 4.576 20 0 JJADRN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164673963 719522702 /nfs/dbraw/zinc/52/27/02/719522702.db2.gz VZBYOKVEGZZKGJ-UHFFFAOYSA-N 0 0 494.998 4.998 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nccc(SCc4ccccc4)n2)CC3)cc1 ZINC001164678468 719528121 /nfs/dbraw/zinc/52/81/21/719528121.db2.gz LGKAPUNJXXRLGA-UHFFFAOYSA-N 0 0 464.610 4.779 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1)N1CCCC1 ZINC001164677528 719544548 /nfs/dbraw/zinc/54/45/48/719544548.db2.gz DUWJASPZCINEFL-TYCQWZJGSA-N 0 0 479.930 4.692 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164677257 719566078 /nfs/dbraw/zinc/56/60/78/719566078.db2.gz XGLWHMXEYCWOPI-UHFFFAOYSA-N 0 0 471.895 4.654 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCc3onc(Cn4ccnc4)c3C2)cnc1Cl ZINC001164676977 719566707 /nfs/dbraw/zinc/56/67/07/719566707.db2.gz SYMDGHONOUCVHK-UHFFFAOYSA-N 0 0 459.859 4.882 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2nc(Cl)c4ccccc4n2)CC3)cs1 ZINC001164687992 719592527 /nfs/dbraw/zinc/59/25/27/719592527.db2.gz SGVLLYDALKIRDX-UHFFFAOYSA-N 0 0 477.968 4.755 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2nc(Cl)c4cc(F)ccc4n2)CC3)cs1 ZINC001164683210 719593874 /nfs/dbraw/zinc/59/38/74/719593874.db2.gz FELOPPCXRYPBKT-UHFFFAOYSA-N 0 0 495.958 4.894 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001164688470 719594735 /nfs/dbraw/zinc/59/47/35/719594735.db2.gz WPVZXLYGBAKQJG-UHFFFAOYSA-N 0 0 475.829 4.625 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C[C@H]2COc1cccnc1 ZINC001164682621 719596183 /nfs/dbraw/zinc/59/61/83/719596183.db2.gz CLSAXQCKHQTFKB-ZDUSSCGKSA-N 0 0 491.329 4.793 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)C[C@H]2COc1cccnc1 ZINC001164687013 719598353 /nfs/dbraw/zinc/59/83/53/719598353.db2.gz PZIRIWHCWQDQLI-HNNXBMFYSA-N 0 0 455.896 4.744 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C[C@H]2COc1cccnc1 ZINC001164682637 719599713 /nfs/dbraw/zinc/59/97/13/719599713.db2.gz DCPCYVBCKRUVSW-KRWDZBQOSA-N 0 0 482.922 4.653 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164688259 719687448 /nfs/dbraw/zinc/68/74/48/719687448.db2.gz ZDTWIJZFLFTHAL-UHFFFAOYSA-N 0 0 488.951 4.637 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)N1Cc1cccnc1 ZINC001164690675 719775134 /nfs/dbraw/zinc/77/51/34/719775134.db2.gz GWCORAKLTLWEAI-NHCUHLMSSA-N 0 0 472.898 4.861 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)N1Cc1cccnc1 ZINC001164690808 719778584 /nfs/dbraw/zinc/77/85/84/719778584.db2.gz IOMACADUZHYKSR-ZWKOTPCHSA-N 0 0 460.937 4.783 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC3)cs1 ZINC001164698520 719816392 /nfs/dbraw/zinc/81/63/92/719816392.db2.gz DIEADNCHDQSEBG-UHFFFAOYSA-N 0 0 485.988 4.772 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)Oc2ccc4nc(Cl)c(Cl)nc4c2)CC3)cn1 ZINC001164695121 719825778 /nfs/dbraw/zinc/82/57/78/719825778.db2.gz BQVVMJMAIUMRNM-ZDUSSCGKSA-N 0 0 484.334 4.638 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)cc1 ZINC001164696448 719830372 /nfs/dbraw/zinc/83/03/72/719830372.db2.gz KDXRSEYTIHKHRG-UHFFFAOYSA-N 0 0 496.949 4.666 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC2)CN1c1ccccc1 ZINC001164696739 719836872 /nfs/dbraw/zinc/83/68/72/719836872.db2.gz UAXYJTMYUHVUQX-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC1)nc2-c1cccnc1 ZINC001164703359 719881378 /nfs/dbraw/zinc/88/13/78/719881378.db2.gz ROZAGVZTUCJAGP-UHFFFAOYSA-N 0 0 494.937 4.884 20 0 JJADRN c1csc(CN2CCOC3(CCN(c4ncnc5c(-c6ccccc6)nsc54)CC3)C2)c1 ZINC001164706672 719898328 /nfs/dbraw/zinc/89/83/28/719898328.db2.gz JUCDPNRORLLOKR-UHFFFAOYSA-N 0 0 463.632 4.686 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cnc1Cl ZINC001164808300 720051113 /nfs/dbraw/zinc/05/11/13/720051113.db2.gz XPZLFZNRTBNWRZ-JPYJTQIMSA-N 0 0 492.929 4.737 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cnc1Cl ZINC001164808303 720051767 /nfs/dbraw/zinc/05/17/67/720051767.db2.gz XPZLFZNRTBNWRZ-WZONZLPQSA-N 0 0 492.929 4.737 20 0 JJADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(-c4ccc(Cl)cc4)c2)C3)n1 ZINC001164811383 720063891 /nfs/dbraw/zinc/06/38/91/720063891.db2.gz OEFSEBIACCEZIA-MGPUTAFESA-N 0 0 467.303 4.696 20 0 JJADRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)cn1 ZINC001164710916 720077037 /nfs/dbraw/zinc/07/70/37/720077037.db2.gz KIIUDPGCBJKGKJ-SFTDATJTSA-N 0 0 494.933 4.613 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c(Cl)nn2)cc1 ZINC001164709778 720077242 /nfs/dbraw/zinc/07/72/42/720077242.db2.gz FPKOHQGUHZPKLG-NHCUHLMSSA-N 0 0 486.954 4.583 20 0 JJADRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164714552 720078271 /nfs/dbraw/zinc/07/82/71/720078271.db2.gz XINYGOMSUCQWQA-OALUTQOASA-N 0 0 478.330 4.718 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CC3)c1 ZINC001164710083 720088810 /nfs/dbraw/zinc/08/88/10/720088810.db2.gz HAXMDVZEHPEBTA-UHFFFAOYSA-N 0 0 493.967 4.614 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCc4nnc(Cn5cccc5)n4CC3)cnc2Cl)c1 ZINC001164709556 720091207 /nfs/dbraw/zinc/09/12/07/720091207.db2.gz AOPJDKHSVQOTEL-UHFFFAOYSA-N 0 0 468.939 4.759 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)cs1 ZINC001164815612 720256080 /nfs/dbraw/zinc/25/60/80/720256080.db2.gz CUSHKYCCCJPGTP-RTBURBONSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nccc32)cs1 ZINC001164815605 720256251 /nfs/dbraw/zinc/25/62/51/720256251.db2.gz CUSHKYCCCJPGTP-MOPGFXCFSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)cs1 ZINC001164815145 720259384 /nfs/dbraw/zinc/25/93/84/720259384.db2.gz BCQBPTRYFKDWSI-UXHICEINSA-N 0 0 489.979 4.877 20 0 JJADRN O=C([C@H]1Cn2nccc2CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1)N1CCCC1 ZINC001164818619 720264746 /nfs/dbraw/zinc/26/47/46/720264746.db2.gz ZZUKVGHGGLIPBB-CQSZACIVSA-N 0 0 480.346 4.542 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164818803 720278545 /nfs/dbraw/zinc/27/85/45/720278545.db2.gz NCYUZLQAUZMIFW-HXUWFJFHSA-N 0 0 455.336 4.710 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c(Cl)nn1 ZINC001164817023 720283567 /nfs/dbraw/zinc/28/35/67/720283567.db2.gz BJLGSPSNYBGOEU-HSZRJFAPSA-N 0 0 476.955 4.579 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)cc1 ZINC001164821227 720284072 /nfs/dbraw/zinc/28/40/72/720284072.db2.gz ZHZHXCZZCNJLQA-HSZRJFAPSA-N 0 0 476.955 4.579 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164720864 720317293 /nfs/dbraw/zinc/31/72/93/720317293.db2.gz BOYJVCQMYKUQPI-NRFANRHFSA-N 0 0 488.970 4.668 20 0 JJADRN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164724539 720325296 /nfs/dbraw/zinc/32/52/96/720325296.db2.gz KQRRRRORSABXIK-TYPHKJRUSA-N 0 0 486.003 4.559 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820780 720387685 /nfs/dbraw/zinc/38/76/85/720387685.db2.gz CGOXXVVRPOFWQS-NLWGTHIKSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820399 720387727 /nfs/dbraw/zinc/38/77/27/720387727.db2.gz AOHLCBQPECFMPF-OAGGEKHMSA-N 0 0 450.338 4.651 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723786 720390881 /nfs/dbraw/zinc/39/08/81/720390881.db2.gz HIHIYLPVDINWIL-ROUUACIJSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825020 720391063 /nfs/dbraw/zinc/39/10/63/720391063.db2.gz TVFYKIVICDEACB-TXTKFYIRSA-N 0 0 499.706 4.622 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164820431 720393473 /nfs/dbraw/zinc/39/34/73/720393473.db2.gz BKWXLUICHXBNOO-FQEVSTJZSA-N 0 0 486.897 4.594 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164824421 720393524 /nfs/dbraw/zinc/39/35/24/720393524.db2.gz RNEMVZDPKNGFGT-GUDVDZBRSA-N 0 0 455.958 4.875 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)c1 ZINC001164822383 720395414 /nfs/dbraw/zinc/39/54/14/720395414.db2.gz LWJHWUPJLAVHMG-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001164827708 720398808 /nfs/dbraw/zinc/39/88/08/720398808.db2.gz HFQGTQHJMHGQOM-UHFFFAOYSA-N 0 0 490.345 4.847 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)O2)n1 ZINC001164828084 720404068 /nfs/dbraw/zinc/40/40/68/720404068.db2.gz HQIJEYFCFHXOOQ-ILXRZTDVSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164826944 720405689 /nfs/dbraw/zinc/40/56/89/720405689.db2.gz FKJXAGYMJKESGK-ILXRZTDVSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827558 720408394 /nfs/dbraw/zinc/40/83/94/720408394.db2.gz FZUVWVFMNHXIAO-ZCNNSNEGSA-N 0 0 494.665 4.746 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828734 720409659 /nfs/dbraw/zinc/40/96/59/720409659.db2.gz KRAFZYNMQQUPIJ-AQNXPRMDSA-N 0 0 476.606 4.610 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](c5nc(C)no5)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164831127 720411324 /nfs/dbraw/zinc/41/13/24/720411324.db2.gz VTDXOEHZXJIDQO-QYZOEREBSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)O2)n1 ZINC001164829643 720411458 /nfs/dbraw/zinc/41/14/58/720411458.db2.gz NWVIZJFLHNGFGT-FHWLQOOXSA-N 0 0 461.900 4.841 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)O2)n1 ZINC001164829255 720411598 /nfs/dbraw/zinc/41/15/98/720411598.db2.gz MEMWKAAVPOHPIV-BZSNNMDCSA-N 0 0 465.863 4.671 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](c5nc(C)no5)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164831121 720411761 /nfs/dbraw/zinc/41/17/61/720411761.db2.gz VTDXOEHZXJIDQO-CEXWTWQISA-N 0 0 477.899 4.541 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]21 ZINC001164824219 720423434 /nfs/dbraw/zinc/42/34/34/720423434.db2.gz JZRKQRCBUHTLMI-LZJOCLMNSA-N 0 0 481.946 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]21 ZINC001164825673 720426633 /nfs/dbraw/zinc/42/66/33/720426633.db2.gz OIHTZXOIMCZBCY-RKVPGOIHSA-N 0 0 469.985 4.622 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723568 720484551 /nfs/dbraw/zinc/48/45/51/720484551.db2.gz CLTWQAZFYUYSBT-SFTDATJTSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164728251 720491015 /nfs/dbraw/zinc/49/10/15/720491015.db2.gz OPBKEBQFGRYOLK-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2nc(Cl)c4ccccc4n2)C3)c1 ZINC001164732404 720491264 /nfs/dbraw/zinc/49/12/64/720491264.db2.gz ZZAJYPSXVBNVED-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc(Cl)c4ccccc4n2)C3)c1 ZINC001164732405 720491653 /nfs/dbraw/zinc/49/16/53/720491653.db2.gz ZZAJYPSXVBNVED-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc4ccccc4nc2Cl)C3)c1 ZINC001164729662 720493723 /nfs/dbraw/zinc/49/37/23/720493723.db2.gz SERSDQMKXFVTGX-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164725300 720495518 /nfs/dbraw/zinc/49/55/18/720495518.db2.gz JIKOCYZBURKCTO-VFNWGFHPSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164727565 720495885 /nfs/dbraw/zinc/49/58/85/720495885.db2.gz NLAPQKYDFWMRNH-JTSKRJEESA-N 0 0 481.946 4.718 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc4c2CCC4)C3)c1 ZINC001164725822 720497544 /nfs/dbraw/zinc/49/75/44/720497544.db2.gz KMISIXDFCAOLHD-QMHKHESXSA-N 0 0 481.946 4.632 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164727465 720499288 /nfs/dbraw/zinc/49/92/88/720499288.db2.gz NAXMVKWQLMLXHL-LAUBAEHRSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164730754 720501363 /nfs/dbraw/zinc/50/13/63/720501363.db2.gz VGEKWLXSAOATQX-DYESRHJHSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164833264 720501991 /nfs/dbraw/zinc/50/19/91/720501991.db2.gz CLIUGHGPCNAKMJ-WWGRRREGSA-N 0 0 482.786 4.831 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164730148 720502238 /nfs/dbraw/zinc/50/22/38/720502238.db2.gz SPQSWIRKBDQMPM-KSSFIOAISA-N 0 0 477.726 4.606 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164730146 720502500 /nfs/dbraw/zinc/50/25/00/720502500.db2.gz SPQSWIRKBDQMPM-KDOFPFPSSA-N 0 0 477.726 4.606 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@H]21)N1CCCCC1 ZINC001164840633 720503046 /nfs/dbraw/zinc/50/30/46/720503046.db2.gz XBMSGIAIUYIZKR-UZKOGDIHSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]21)N1CCCCC1 ZINC001164837828 720503162 /nfs/dbraw/zinc/50/31/62/720503162.db2.gz PNKVSSXWZMFMDB-DSKINZAPSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164840628 720503419 /nfs/dbraw/zinc/50/34/19/720503419.db2.gz XBMSGIAIUYIZKR-CBQOVEMMSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]21)N1CCCCC1 ZINC001164833960 720504087 /nfs/dbraw/zinc/50/40/87/720504087.db2.gz DXUBHBDIHZXGMD-CDXJDZJCSA-N 0 0 479.955 4.784 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164727589 720504483 /nfs/dbraw/zinc/50/44/83/720504483.db2.gz CIRMFFBUNYTHBY-UGKGYDQZSA-N 0 0 474.895 4.559 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736575 720537324 /nfs/dbraw/zinc/53/73/24/720537324.db2.gz ZOLWJGNFSQVGIY-HTAPYJJXSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735986 720538882 /nfs/dbraw/zinc/53/88/82/720538882.db2.gz SZGGYPYBJYPEGD-XOBRGWDASA-N 0 0 466.941 4.739 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734060 720541583 /nfs/dbraw/zinc/54/15/83/720541583.db2.gz GWORGRGFBMNZAN-HXOBKFHXSA-N 0 0 487.938 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN([C@@H](F)Oc1ccnc(Cl)c1)Cc1ccccc12 ZINC001164844316 720744761 /nfs/dbraw/zinc/74/47/61/720744761.db2.gz PIJHYNSQOUQDPS-HSZRJFAPSA-N 0 0 455.917 4.650 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN([C@H](F)Oc1ccc(Cl)nc1)Cc1ccccc12 ZINC001164843087 720744905 /nfs/dbraw/zinc/74/49/05/720744905.db2.gz HXUJUURSAUJIHH-QHCPKHFHSA-N 0 0 455.917 4.650 20 0 JJADRN Cc1ccc(Cl)nc1C(F)(F)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001164841919 720746161 /nfs/dbraw/zinc/74/61/61/720746161.db2.gz ATJPDDCQWPMLKX-UHFFFAOYSA-N 0 0 462.953 4.580 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164844966 720747265 /nfs/dbraw/zinc/74/72/65/720747265.db2.gz WESPLZPELNWFDX-UHFFFAOYSA-N 0 0 499.974 4.820 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164843965 720771139 /nfs/dbraw/zinc/77/11/39/720771139.db2.gz BCQMSGUBIBQJMV-PVAVHDDUSA-N 0 0 466.941 4.628 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847839 720771939 /nfs/dbraw/zinc/77/19/39/720771939.db2.gz NOZROALDYXJMKE-UIFIKXQLSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847840 720772275 /nfs/dbraw/zinc/77/22/75/720772275.db2.gz NOZROALDYXJMKE-WMQCIHAUSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164851369 720773785 /nfs/dbraw/zinc/77/37/85/720773785.db2.gz ZMRQFAJLXRCFJX-UIFIKXQLSA-N 0 0 460.912 4.566 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)c2c1C ZINC001164846248 720776949 /nfs/dbraw/zinc/77/69/49/720776949.db2.gz IJCCEHOGGVYYFX-VABKMULXSA-N 0 0 493.677 4.642 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850005 720779609 /nfs/dbraw/zinc/77/96/09/720779609.db2.gz VNVZKMLEZDGHJL-JYJNAYRXSA-N 0 0 460.308 4.551 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164845958 720780225 /nfs/dbraw/zinc/78/02/25/720780225.db2.gz GUHUISIHYFBCTN-OIISXLGYSA-N 0 0 460.308 4.551 20 0 JJADRN COC[C@]12CCC[C@H]1CN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164847229 720789208 /nfs/dbraw/zinc/78/92/08/720789208.db2.gz MEDXCUDDJMKFBS-JJEOQYAHSA-N 0 0 465.400 4.670 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)C2=O)c1 ZINC001164847546 720806962 /nfs/dbraw/zinc/80/69/62/720806962.db2.gz APTCHMZGEANHGH-HSZRJFAPSA-N 0 0 474.914 4.905 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)C2=O)c1 ZINC001164856213 720807067 /nfs/dbraw/zinc/80/70/67/720807067.db2.gz ZLPOFLLPHPQHPI-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)C2=O)c1 ZINC001164850014 720807889 /nfs/dbraw/zinc/80/78/89/720807889.db2.gz HTZDJCZOYKYVRQ-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CN1Cc1ccncc1 ZINC001164852792 720811377 /nfs/dbraw/zinc/81/13/77/720811377.db2.gz OXGKXACFTPFYLZ-CHWSQXEVSA-N 0 0 498.748 4.625 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164851213 720815195 /nfs/dbraw/zinc/81/51/95/720815195.db2.gz KGDIZKSXZROHEP-NQIIRXRSSA-N 0 0 460.956 4.817 20 0 JJADRN O=C([C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1)N1CCCO1 ZINC001164846017 720823948 /nfs/dbraw/zinc/82/39/48/720823948.db2.gz CNQMVMIQAWGQSZ-ZCNNSNEGSA-N 0 0 498.357 4.891 20 0 JJADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)C2 ZINC001164846776 720830324 /nfs/dbraw/zinc/83/03/24/720830324.db2.gz GITQBIOAOCQPCX-RBBKRZOGSA-N 0 0 452.929 4.977 20 0 JJADRN Cc1nc([C@H]2COCCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164745484 720864460 /nfs/dbraw/zinc/86/44/60/720864460.db2.gz DSXSDMZXIYGUBM-LJQANCHMSA-N 0 0 469.680 4.899 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)CC1 ZINC001164859451 720893958 /nfs/dbraw/zinc/89/39/58/720893958.db2.gz RJYJORRXJQUDBX-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1)c1ccccc1 ZINC001164863236 720899851 /nfs/dbraw/zinc/89/98/51/720899851.db2.gz XSRAHNCVCDJYIZ-NTKDMRAZSA-N 0 0 471.935 4.991 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164854001 720901385 /nfs/dbraw/zinc/90/13/85/720901385.db2.gz DSCZMTDEAGJUDT-IERDGZPVSA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1)c1ccccc1 ZINC001164855579 720903542 /nfs/dbraw/zinc/90/35/42/720903542.db2.gz ITVNFHIWKSANAA-AUSIDOKSSA-N 0 0 461.940 4.715 20 0 JJADRN O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@H]12)c1ccno1 ZINC001164863118 720914439 /nfs/dbraw/zinc/91/44/39/720914439.db2.gz XALBWUQLGMDUIA-PBEJRMEISA-N 0 0 494.970 4.587 20 0 JJADRN O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]12)c1ccno1 ZINC001164863108 720914792 /nfs/dbraw/zinc/91/47/92/720914792.db2.gz XALBWUQLGMDUIA-BSIFCXSSSA-N 0 0 494.970 4.587 20 0 JJADRN CC(C)CN1[C@H]2CCN(C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755535 720971796 /nfs/dbraw/zinc/97/17/96/720971796.db2.gz AEVWROMGBUEYDN-PMACEKPBSA-N 0 0 478.058 4.542 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164755865 720983517 /nfs/dbraw/zinc/98/35/17/720983517.db2.gz CMDKOPKFVPYMKV-CYBMUJFWSA-N 0 0 450.839 4.558 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164756477 720984348 /nfs/dbraw/zinc/98/43/48/720984348.db2.gz JCXHYMIQHQBBPP-INIZCTEOSA-N 0 0 477.918 4.741 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164756366 720985046 /nfs/dbraw/zinc/98/50/46/720985046.db2.gz HHMDTKQCKXDKAO-QGZVFWFLSA-N 0 0 489.954 4.610 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164755596 720986039 /nfs/dbraw/zinc/98/60/39/720986039.db2.gz AZTFPJROZJNOBU-KRWDZBQOSA-N 0 0 489.954 4.610 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758574 720986067 /nfs/dbraw/zinc/98/60/67/720986067.db2.gz WJARINSLPXJTBW-QGZVFWFLSA-N 0 0 450.961 4.808 20 0 JJADRN CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC001164758241 721002283 /nfs/dbraw/zinc/00/22/83/721002283.db2.gz UIMCRUJVLQEKQE-YSGRDPCXSA-N 0 0 499.389 4.713 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cnc1Cl ZINC001164759702 721009463 /nfs/dbraw/zinc/00/94/63/721009463.db2.gz NFBYGZAWRONLAR-NNWRFLSQSA-N 0 0 475.898 4.901 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164757966 721011580 /nfs/dbraw/zinc/01/15/80/721011580.db2.gz GUEWAESCAYJLMR-OTWHNJEPSA-N 0 0 463.937 4.824 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164757967 721011802 /nfs/dbraw/zinc/01/18/02/721011802.db2.gz GUEWAESCAYJLMR-QRVBRYPASA-N 0 0 463.937 4.824 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164759121 721026409 /nfs/dbraw/zinc/02/64/09/721026409.db2.gz KXLZDSGRUOACPD-AVRDEDQJSA-N 0 0 460.912 4.568 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)nc12 ZINC001164766589 721027212 /nfs/dbraw/zinc/02/72/12/721027212.db2.gz REWMCSZYDKYGII-ZHRRBRCNSA-N 0 0 478.902 4.707 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)nc(Cl)c2c1 ZINC001164765438 721028264 /nfs/dbraw/zinc/02/82/64/721028264.db2.gz PJVLGTUVQLESDI-VGOFRKELSA-N 0 0 478.902 4.707 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1=O ZINC001164860971 721028775 /nfs/dbraw/zinc/02/87/75/721028775.db2.gz MAEWLEOFFNTHMP-AABGKKOBSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1=O ZINC001164860977 721029152 /nfs/dbraw/zinc/02/91/52/721029152.db2.gz MAEWLEOFFNTHMP-HSALFYBXSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1=O ZINC001164860936 721029347 /nfs/dbraw/zinc/02/93/47/721029347.db2.gz LWYDGCGZYPLMND-CBQOVEMMSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164761546 721029459 /nfs/dbraw/zinc/02/94/59/721029459.db2.gz GHKYVUDFUNVAQT-SIKLNZKXSA-N 0 0 460.912 4.568 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760808 721030817 /nfs/dbraw/zinc/03/08/17/721030817.db2.gz DMCNFBGUOXGOSN-AJTFRIOCSA-N 0 0 493.677 4.644 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767800 721031246 /nfs/dbraw/zinc/03/12/46/721031246.db2.gz TUYMPTYPQBLVQV-VGSWGCGISA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164768699 721031422 /nfs/dbraw/zinc/03/14/22/721031422.db2.gz VOEVPVJUJLWAOJ-VGSWGCGISA-N 0 0 476.911 4.675 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)cnc1Cl)[C@H]2COCc1ccccc1 ZINC001164758898 721047299 /nfs/dbraw/zinc/04/72/99/721047299.db2.gz DADYYOIECUYQGR-SFHVURJKSA-N 0 0 468.335 4.865 20 0 JJADRN Cc1ccc(C[NH+]2CCC3(CCN(C(F)(F)c4cc(Cl)nnc4C(=O)[O-])CC3)CC2)cc1 ZINC001164758692 721047482 /nfs/dbraw/zinc/04/74/82/721047482.db2.gz ANYXOYHEQDGDOW-UHFFFAOYSA-N 0 0 464.944 4.564 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)[C@H]2COCc1ccccc1 ZINC001164774754 721048661 /nfs/dbraw/zinc/04/86/61/721048661.db2.gz XUGIUACACAJNGD-IBGZPJMESA-N 0 0 472.927 4.693 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(SC)cnc1Cl)[C@H]2COCc1ccccc1 ZINC001164767315 721049276 /nfs/dbraw/zinc/04/92/76/721049276.db2.gz GTMLDRGWYNWGRR-IBGZPJMESA-N 0 0 479.984 4.934 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)cc1 ZINC001164764142 721056904 /nfs/dbraw/zinc/05/69/04/721056904.db2.gz BNCDKTBVCLUHOV-FCHUYYIVSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)n1 ZINC001164764936 721056986 /nfs/dbraw/zinc/05/69/86/721056986.db2.gz BYEORHBOMOCEGI-SFTDATJTSA-N 0 0 487.913 4.564 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)n1 ZINC001164774122 721057525 /nfs/dbraw/zinc/05/75/25/721057525.db2.gz UUNGHUIQJVLECQ-RTWAWAEBSA-N 0 0 460.956 4.632 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871195 721219316 /nfs/dbraw/zinc/21/93/16/721219316.db2.gz IZAQOOHWULVCRZ-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@@H]32)N=C1C ZINC001164872176 721234994 /nfs/dbraw/zinc/23/49/94/721234994.db2.gz KSJICQNDGJPACI-HFJQGTKSSA-N 0 0 473.955 4.516 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]32)N=C1C ZINC001164871231 721235969 /nfs/dbraw/zinc/23/59/69/721235969.db2.gz FRFCNWKAVLBOAD-AVBTWRTFSA-N 0 0 464.969 4.874 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]32)N=C1C ZINC001164871238 721236085 /nfs/dbraw/zinc/23/60/85/721236085.db2.gz FRFCNWKAVLBOAD-XXHMAFKTSA-N 0 0 464.969 4.874 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164875045 721251185 /nfs/dbraw/zinc/25/11/85/721251185.db2.gz LPDNMEISTBPZDD-BWAGFHJFSA-N 0 0 472.923 4.942 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164879270 721251994 /nfs/dbraw/zinc/25/19/94/721251994.db2.gz XPPAGLFUBILNMQ-VLHNPEIBSA-N 0 0 470.932 4.525 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)O1)c1ccccc1 ZINC001164876050 721254072 /nfs/dbraw/zinc/25/40/72/721254072.db2.gz NJKKUTZVKSJYOD-HRAATJIYSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)O1)c1ccccc1 ZINC001164876058 721254518 /nfs/dbraw/zinc/25/45/18/721254518.db2.gz NJKKUTZVKSJYOD-IIBYNOLFSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)O1)c1ccccc1 ZINC001164879764 721257011 /nfs/dbraw/zinc/25/70/11/721257011.db2.gz YPXXZKMJWTVRAX-HRAATJIYSA-N 0 0 470.347 4.881 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1Cl ZINC001164879338 721257164 /nfs/dbraw/zinc/25/71/64/721257164.db2.gz YBIGVHXRQYBPDO-VGOFRKELSA-N 0 0 481.996 4.950 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]21 ZINC001164764848 721258901 /nfs/dbraw/zinc/25/89/01/721258901.db2.gz QHQYEZCWMJNPGT-GDIGMMSISA-N 0 0 493.963 4.617 20 0 JJADRN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769449 721270300 /nfs/dbraw/zinc/27/03/00/721270300.db2.gz YQYBLAGOFTXMKV-UHFFFAOYSA-N 0 0 483.906 4.777 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164766998 721270333 /nfs/dbraw/zinc/27/03/33/721270333.db2.gz PVOKOGKOENGHQX-UHFFFAOYSA-N 0 0 494.933 4.806 20 0 JJADRN Clc1ccc(OC(Cl)(Cl)N2CCc3c(COCc4ccccn4)cncc3C2)cn1 ZINC001164765838 721271221 /nfs/dbraw/zinc/27/12/21/721271221.db2.gz LRRLBMKONDYDPW-UHFFFAOYSA-N 0 0 465.768 4.768 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164768181 721273004 /nfs/dbraw/zinc/27/30/04/721273004.db2.gz LPGDEMBDOSYMKU-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767161 721277220 /nfs/dbraw/zinc/27/72/20/721277220.db2.gz HBYHVEHJJPIWPI-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770715 721277754 /nfs/dbraw/zinc/27/77/54/721277754.db2.gz XSNJYVWTOYNORV-INIZCTEOSA-N 0 0 471.895 4.847 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1 ZINC001164875812 721297782 /nfs/dbraw/zinc/29/77/82/721297782.db2.gz GZTJMWBGZHBDGU-JXFKEZNVSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]2C1 ZINC001164879707 721299273 /nfs/dbraw/zinc/29/92/73/721299273.db2.gz ZWMCBYORQVKORT-DOMZBBRYSA-N 0 0 495.901 4.728 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CCO3)c1 ZINC001164774654 721305768 /nfs/dbraw/zinc/30/57/68/721305768.db2.gz GLDMRFVGUMFCFO-OAQYLSRUSA-N 0 0 479.984 4.555 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3CCC5(CCC(=O)N5CC5CC5)CC3)n2)CCC4)CC1 ZINC001164775707 721306858 /nfs/dbraw/zinc/30/68/58/721306858.db2.gz INSYHSBKEMSTNV-UHFFFAOYSA-N 0 0 493.721 4.783 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC2)N1CC1CC1 ZINC001164775649 721307423 /nfs/dbraw/zinc/30/74/23/721307423.db2.gz HLLIVENJOXOFHO-UHFFFAOYSA-N 0 0 464.919 4.852 20 0 JJADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164775217 721308287 /nfs/dbraw/zinc/30/82/87/721308287.db2.gz BEFOPGMMXYCFKR-UHFFFAOYSA-N 0 0 476.955 4.544 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880832 721313269 /nfs/dbraw/zinc/31/32/69/721313269.db2.gz SQAJBGXPOQXEAF-IAOVAPTHSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164879517 721314319 /nfs/dbraw/zinc/31/43/19/721314319.db2.gz NEIKDSLPLVDOEP-FDFHNCONSA-N 0 0 493.677 4.752 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881969 721314529 /nfs/dbraw/zinc/31/45/29/721314529.db2.gz YTDZSVSFPCJPKL-ZLGUVYLKSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880173 721314586 /nfs/dbraw/zinc/31/45/86/721314586.db2.gz PMQKHMDGWODLMR-TYCQWZJGSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164876928 721314651 /nfs/dbraw/zinc/31/46/51/721314651.db2.gz HIIFXIOAGNJBCA-ZLGUVYLKSA-N 0 0 472.923 4.800 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164877068 721318659 /nfs/dbraw/zinc/31/86/59/721318659.db2.gz IXSBLNIYUSJZID-HXUWFJFHSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164879406 721319314 /nfs/dbraw/zinc/31/93/14/721319314.db2.gz TUITVWRSYDUTTC-NRFANRHFSA-N 0 0 468.935 4.842 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)n1 ZINC001164776069 721326779 /nfs/dbraw/zinc/32/67/79/721326779.db2.gz CKTIZAAPWPEEEK-IBGZPJMESA-N 0 0 499.656 4.891 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2)N1CC=CC1 ZINC001164776458 721327828 /nfs/dbraw/zinc/32/78/28/721327828.db2.gz FYRGIQQTKCQGEN-UHFFFAOYSA-N 0 0 459.368 4.894 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001164778417 721328218 /nfs/dbraw/zinc/32/82/18/721328218.db2.gz VZAGFLUFMPGNON-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)cs1 ZINC001164875352 721330292 /nfs/dbraw/zinc/33/02/92/721330292.db2.gz KKHNUJZYHBFLNW-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)cnc3Cl)C2)cs1 ZINC001164877893 721330346 /nfs/dbraw/zinc/33/03/46/721330346.db2.gz XPNBHXLIEXQVJM-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)cs1 ZINC001164875544 721332308 /nfs/dbraw/zinc/33/23/08/721332308.db2.gz MDBQYTHAVZJEBV-CYBMUJFWSA-N 0 0 490.363 4.628 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)Oc3ccc(Cl)nc3Cl)C2)cs1 ZINC001164875545 721332538 /nfs/dbraw/zinc/33/25/38/721332538.db2.gz MDBQYTHAVZJEBV-ZDUSSCGKSA-N 0 0 490.363 4.628 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)C2)cs1 ZINC001164874006 721332694 /nfs/dbraw/zinc/33/26/94/721332694.db2.gz FPYGWMPMVVYNEO-CYBMUJFWSA-N 0 0 490.363 4.628 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)cs1 ZINC001164877799 721332902 /nfs/dbraw/zinc/33/29/02/721332902.db2.gz WYESUHPHGDVIRC-HNNXBMFYSA-N 0 0 479.984 4.583 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)N1c1ccsc1 ZINC001164881267 721356461 /nfs/dbraw/zinc/35/64/61/721356461.db2.gz ARQWWLLDDKBCQY-LSDHHAIUSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164780240 721357463 /nfs/dbraw/zinc/35/74/63/721357463.db2.gz DOUAWCIUMYPHBU-VWLOTQADSA-N 0 0 470.017 4.624 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885850 721357869 /nfs/dbraw/zinc/35/78/69/721357869.db2.gz ZVVOOLCJKKGQST-RTBURBONSA-N 0 0 467.664 4.740 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)N1c1ccsc1 ZINC001164883702 721360931 /nfs/dbraw/zinc/36/09/31/721360931.db2.gz RLZJTEFAXJSOHQ-MSOLQXFVSA-N 0 0 464.900 4.927 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164780807 721364088 /nfs/dbraw/zinc/36/40/88/721364088.db2.gz HSKHOCDEFVLKPV-NRFANRHFSA-N 0 0 487.016 4.726 20 0 JJADRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C3)CC2=O)cn1 ZINC001164886854 721374334 /nfs/dbraw/zinc/37/43/34/721374334.db2.gz OZULPWZMHFVTKJ-JOCHJYFZSA-N 0 0 463.960 4.695 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784585 721375063 /nfs/dbraw/zinc/37/50/63/721375063.db2.gz QMAXWEQCWIUWKR-RUZDIDTESA-N 0 0 484.000 4.646 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164781378 721382782 /nfs/dbraw/zinc/38/27/82/721382782.db2.gz JLCJFWALDVFOMG-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779426 721383339 /nfs/dbraw/zinc/38/33/39/721383339.db2.gz ANEPYOGUOALMRT-WMZHIEFXSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779417 721383430 /nfs/dbraw/zinc/38/34/30/721383430.db2.gz ANEPYOGUOALMRT-AUSIDOKSSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164784533 721383443 /nfs/dbraw/zinc/38/34/43/721383443.db2.gz PYMZILCPQMFFOV-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)nc12 ZINC001164780716 721383826 /nfs/dbraw/zinc/38/38/26/721383826.db2.gz IGIBXWRUEFDZNO-GAJHUEQPSA-N 0 0 492.929 4.955 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786177 721384285 /nfs/dbraw/zinc/38/42/85/721384285.db2.gz UDSFDJMHDYHTSB-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164781427 721384289 /nfs/dbraw/zinc/38/42/89/721384289.db2.gz JRAMZSOQJVRJJN-HTAPYJJXSA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782160 721399141 /nfs/dbraw/zinc/39/91/41/721399141.db2.gz DTRBYNWHKUGVAS-RYUDHWBXSA-N 0 0 456.349 4.506 20 0 JJADRN Cc1nc2c(cc(-c3nc(N4C[C@@H]5CN(Cc6nccs6)C[C@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790975 721410684 /nfs/dbraw/zinc/41/06/84/721410684.db2.gz YRJPKMSFZBOLHE-ROUUACIJSA-N 0 0 495.603 4.686 20 0 JJADRN c1csc(CN2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164787253 721425073 /nfs/dbraw/zinc/42/50/73/721425073.db2.gz PSEJQSDACKOYKA-ROUUACIJSA-N 0 0 474.659 4.657 20 0 JJADRN c1csc(-c2nc3sc4c(c3c(N3C[C@H]5CN(Cc6nccs6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164790148 721426530 /nfs/dbraw/zinc/42/65/30/721426530.db2.gz XCFKFAKAVZFJCS-HUUCEWRRSA-N 0 0 465.673 4.933 20 0 JJADRN c1csc(-c2nc3sc4c(c3c(N3C[C@@H]5CN(Cc6nccs6)C[C@H]5C3)n2)CCC4)c1 ZINC001164789777 721426554 /nfs/dbraw/zinc/42/65/54/721426554.db2.gz XCFKFAKAVZFJCS-GJZGRUSLSA-N 0 0 465.673 4.933 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164781955 721438840 /nfs/dbraw/zinc/43/88/40/721438840.db2.gz HSLNOMDISGBXSG-GASCZTMLSA-N 0 0 465.932 4.506 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781854 721439082 /nfs/dbraw/zinc/43/90/82/721439082.db2.gz GYCZFNUUMXSGKX-IAGOWNOFSA-N 0 0 461.969 4.675 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164786306 721439130 /nfs/dbraw/zinc/43/91/30/721439130.db2.gz UOQCLOAAJUUSDC-HUUCEWRRSA-N 0 0 465.932 4.506 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164783182 721439259 /nfs/dbraw/zinc/43/92/59/721439259.db2.gz NETQJXFTKKEJNY-IAGOWNOFSA-N 0 0 461.969 4.675 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164786415 721441480 /nfs/dbraw/zinc/44/14/80/721441480.db2.gz UZCSIUJQNRMUJO-HXUWFJFHSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1ccc3c(Cl)nccc3c1)CC2 ZINC001164781355 721441757 /nfs/dbraw/zinc/44/17/57/721441757.db2.gz FOTNJRFHFATVGL-NRFANRHFSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164788067 721441877 /nfs/dbraw/zinc/44/18/77/721441877.db2.gz YQEYLLQLZWQTMM-QFIPXVFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164783178 721441949 /nfs/dbraw/zinc/44/19/49/721441949.db2.gz NDUOZZJFBQJGAP-OAQYLSRUSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164786495 721442430 /nfs/dbraw/zinc/44/24/30/721442430.db2.gz VEHNCEWBBXQFGB-FQEVSTJZSA-N 0 0 485.922 4.989 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(C)nc(Cl)c2)CCO3)cs1 ZINC001164787423 721442906 /nfs/dbraw/zinc/44/29/06/721442906.db2.gz XAQJVYRHGIUELH-OXJNMPFZSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)COc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784342 721443620 /nfs/dbraw/zinc/44/36/20/721443620.db2.gz PKPYVLFPFWMGBZ-OXJNMPFZSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)Oc2cccnc2Cl)CCO3)cs1 ZINC001164786545 721443768 /nfs/dbraw/zinc/44/37/68/721443768.db2.gz VJRFXUZBFUJDLW-HNAYVOBHSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(c2nc(Cl)ccc2CN2CCCC2)CCO3)cs1 ZINC001164788181 721444112 /nfs/dbraw/zinc/44/41/12/721444112.db2.gz ZGNLBOPJKURZFP-RDPSFJRHSA-N 0 0 477.074 4.688 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(C)cc(Cl)n2)CCO3)cs1 ZINC001164782040 721444544 /nfs/dbraw/zinc/44/45/44/721444544.db2.gz IJXSYWQNAXPQTG-JXFKEZNVSA-N 0 0 457.974 4.946 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164884935 721460203 /nfs/dbraw/zinc/46/02/03/721460203.db2.gz CWAJKRCQPGFMDB-AABGKKOBSA-N 0 0 453.961 4.590 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)C2=O)cs1 ZINC001164884277 721460875 /nfs/dbraw/zinc/46/08/75/721460875.db2.gz AFPRBULRPFDBEV-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)C2=O)cs1 ZINC001164887231 721460907 /nfs/dbraw/zinc/46/09/07/721460907.db2.gz JFCXIZXVGZJHLW-NRFANRHFSA-N 0 0 495.958 4.751 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)C2=O)cs1 ZINC001164888477 721461118 /nfs/dbraw/zinc/46/11/18/721461118.db2.gz MLWSVIWNKFHAEV-HXUWFJFHSA-N 0 0 465.957 4.545 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2=O)cs1 ZINC001164891732 721462302 /nfs/dbraw/zinc/46/23/02/721462302.db2.gz NZTZXEOPHMWZFY-NRFANRHFSA-N 0 0 466.985 4.941 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)cc1 ZINC001164895206 721464933 /nfs/dbraw/zinc/46/49/33/721464933.db2.gz ZZRSHLVZYSMGFW-FXAWDEMLSA-N 0 0 491.966 4.817 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164889036 721465298 /nfs/dbraw/zinc/46/52/98/721465298.db2.gz HDHQISCMURABGZ-TZIWHRDSSA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164894668 721467323 /nfs/dbraw/zinc/46/73/23/721467323.db2.gz XGFLDTDZNFNKBF-CTNGQTDRSA-N 0 0 463.651 4.503 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164891294 721469993 /nfs/dbraw/zinc/46/99/93/721469993.db2.gz MZCSEUKHLDPPRQ-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164894231 721470805 /nfs/dbraw/zinc/47/08/05/721470805.db2.gz WMIILMGNIQGIFD-QGZVFWFLSA-N 0 0 485.922 4.985 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC2)C1=O ZINC001164891465 721471805 /nfs/dbraw/zinc/47/18/05/721471805.db2.gz CKGRZPWIUAKLTJ-UHFFFAOYSA-N 0 0 474.914 4.769 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)C1=O ZINC001164893470 721474173 /nfs/dbraw/zinc/47/41/73/721474173.db2.gz JJHMCQVMXSACEH-UHFFFAOYSA-N 0 0 483.950 4.538 20 0 JJADRN CSc1ccc(C(F)(F)N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)nc1Cl ZINC001164894599 721475395 /nfs/dbraw/zinc/47/53/95/721475395.db2.gz OGXLCCHEUAEVLI-HXUWFJFHSA-N 0 0 452.958 4.558 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)n1 ZINC001164892358 721475697 /nfs/dbraw/zinc/47/56/97/721475697.db2.gz FQCUMCDDDSZNSU-HHHXNRCGSA-N 0 0 492.693 4.707 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)Cc2cnn(C)c21 ZINC001164793833 721477737 /nfs/dbraw/zinc/47/77/37/721477737.db2.gz YIBLMFHVCKRGBE-QGZVFWFLSA-N 0 0 490.938 4.607 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)Cc2cnn(C)c21 ZINC001164792400 721478084 /nfs/dbraw/zinc/47/80/84/721478084.db2.gz NIHDXPFXOQLIMB-HNNXBMFYSA-N 0 0 450.892 4.960 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164792432 721486613 /nfs/dbraw/zinc/48/66/13/721486613.db2.gz IYTZXSOYFJCZOK-ZUOKHONESA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164791091 721488796 /nfs/dbraw/zinc/48/87/96/721488796.db2.gz AOXDPDOTKVJMTD-IVZQSRNASA-N 0 0 494.876 4.547 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)cc1 ZINC001164793403 721488826 /nfs/dbraw/zinc/48/88/26/721488826.db2.gz RPMGGJXGKJKZKY-OYHNWAKOSA-N 0 0 494.876 4.547 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)c2ccc(C)cc21 ZINC001164900466 721491792 /nfs/dbraw/zinc/49/17/92/721491792.db2.gz PVKDKCFXDVWYFP-MRXNPFEDSA-N 0 0 470.351 4.549 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3ccc(OC)nc3Cl)CC2)c2ccc(C)cc21 ZINC001164901484 721492132 /nfs/dbraw/zinc/49/21/32/721492132.db2.gz VMCZNSKDBAFRII-GOSISDBHSA-N 0 0 464.944 4.509 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)c2ccc(C)cc21 ZINC001164902004 721492499 /nfs/dbraw/zinc/49/24/99/721492499.db2.gz XWWGCEBHSRTAIV-HXUWFJFHSA-N 0 0 475.971 4.773 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164900175 721492643 /nfs/dbraw/zinc/49/26/43/721492643.db2.gz MZKGZJXSFGMWFH-GOSISDBHSA-N 0 0 473.955 4.982 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164901185 721497030 /nfs/dbraw/zinc/49/70/30/721497030.db2.gz TYPSOHQARIEZFS-YZUZCNPQSA-N 0 0 453.030 4.720 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164898463 721501187 /nfs/dbraw/zinc/50/11/87/721501187.db2.gz SDGXCPQZSZSXSD-INIZCTEOSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164895643 721502632 /nfs/dbraw/zinc/50/26/32/721502632.db2.gz DLZXVPYKFIDGNI-HXUWFJFHSA-N 0 0 496.961 4.629 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164899228 721502700 /nfs/dbraw/zinc/50/27/00/721502700.db2.gz XQJVBUZVMCVUSP-IBGZPJMESA-N 0 0 467.944 4.688 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164898321 721503718 /nfs/dbraw/zinc/50/37/18/721503718.db2.gz QNXFFKSZQXXSST-MRXNPFEDSA-N 0 0 478.330 4.519 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164898723 721504193 /nfs/dbraw/zinc/50/41/93/721504193.db2.gz UMNQQBZXZIUDEH-MRXNPFEDSA-N 0 0 478.330 4.519 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)cnc2Cl)c1 ZINC001164897745 721505525 /nfs/dbraw/zinc/50/55/25/721505525.db2.gz NQRGQNXMMSEVLC-QFIPXVFZSA-N 0 0 498.961 4.993 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164796256 721505710 /nfs/dbraw/zinc/50/57/10/721505710.db2.gz QSMPDTFCNYDAEI-FNZWTVRRSA-N 0 0 461.997 4.726 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)N1Cc1ccncc1 ZINC001164896147 721505903 /nfs/dbraw/zinc/50/59/03/721505903.db2.gz HKIAWCFBYKLTKE-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164803176 721558405 /nfs/dbraw/zinc/55/84/05/721558405.db2.gz JQNAUHNWCXMKLH-ZCNNSNEGSA-N 0 0 494.373 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798624 721575998 /nfs/dbraw/zinc/57/59/98/721575998.db2.gz BPMJGOWCRDGYFI-PBWSGDRGSA-N 0 0 465.601 4.868 20 0 JJADRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@@H]2C1=O ZINC001164902308 721576142 /nfs/dbraw/zinc/57/61/42/721576142.db2.gz JQUNPZWZPSTGGE-GUYCJALGSA-N 0 0 489.872 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c3ccccc32)cc1 ZINC001164798619 721576137 /nfs/dbraw/zinc/57/61/37/721576137.db2.gz BPMJGOWCRDGYFI-FULLSBAXSA-N 0 0 465.601 4.868 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164904503 721577654 /nfs/dbraw/zinc/57/76/54/721577654.db2.gz VQUOFHHIIJMDMZ-KRWDZBQOSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164903875 721577684 /nfs/dbraw/zinc/57/76/84/721577684.db2.gz SENYBFDVEBSPPL-SFHVURJKSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164902769 721577697 /nfs/dbraw/zinc/57/76/97/721577697.db2.gz MNTJJDXWHYBBHV-QGZVFWFLSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164903237 721577704 /nfs/dbraw/zinc/57/77/04/721577704.db2.gz PHPSKNXZICQLHU-KRWDZBQOSA-N 0 0 475.367 4.697 20 0 JJADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCCC3 ZINC001164809633 721578658 /nfs/dbraw/zinc/57/86/58/721578658.db2.gz UGLQPNVLWQLLBD-ZFGGDYGUSA-N 0 0 463.651 4.532 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164903081 721578774 /nfs/dbraw/zinc/57/87/74/721578774.db2.gz KQOMCUZWMYZZGQ-QGZVFWFLSA-N 0 0 491.366 4.577 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164805625 721578979 /nfs/dbraw/zinc/57/89/79/721578979.db2.gz LGZOGKXAZKPJEO-TZBSWOFLSA-N 0 0 498.656 4.505 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164902846 721578994 /nfs/dbraw/zinc/57/89/94/721578994.db2.gz JKJJZHCJAUXHFI-NRFANRHFSA-N 0 0 480.987 4.921 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164905771 721579049 /nfs/dbraw/zinc/57/90/49/721579049.db2.gz WTVLGPZUPRHYBM-GOSISDBHSA-N 0 0 472.989 4.636 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902898 721579807 /nfs/dbraw/zinc/57/98/07/721579807.db2.gz JYLWVYFOYRUHIX-NRFANRHFSA-N 0 0 480.346 4.752 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)c1 ZINC001164905700 721581254 /nfs/dbraw/zinc/58/12/54/721581254.db2.gz VCQWSLONQRXIDU-DEOSSOPVSA-N 0 0 485.966 4.921 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164799277 721584386 /nfs/dbraw/zinc/58/43/86/721584386.db2.gz AJASNGZFYZYVFH-CQOQZXRMSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@@H]12 ZINC001164810960 721587811 /nfs/dbraw/zinc/58/78/11/721587811.db2.gz WTIYVUMVUGWAMY-LZLYRXPVSA-N 0 0 476.877 4.562 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804108 721591749 /nfs/dbraw/zinc/59/17/49/721591749.db2.gz IPODWJIAGAFIIV-SGNDLWITSA-N 0 0 499.993 4.914 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164800188 721593113 /nfs/dbraw/zinc/59/31/13/721593113.db2.gz NLOXWMOKWPBLER-QGZVFWFLSA-N 0 0 479.955 4.980 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)Oc2ccccc21 ZINC001164801369 721593271 /nfs/dbraw/zinc/59/32/71/721593271.db2.gz QNIHGKFJYKCZDN-INIZCTEOSA-N 0 0 478.971 4.682 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)c(Cl)nn1 ZINC001164802789 721593321 /nfs/dbraw/zinc/59/33/21/721593321.db2.gz VGKKYKQTJSUATH-QGZVFWFLSA-N 0 0 478.971 4.803 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)c(Cl)nn1 ZINC001164802787 721593387 /nfs/dbraw/zinc/59/33/87/721593387.db2.gz VGKKYKQTJSUATH-KRWDZBQOSA-N 0 0 478.971 4.803 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCn5cnc(COCC6CC6)c5C4)c23)C1 ZINC001164805004 721600120 /nfs/dbraw/zinc/60/01/20/721600120.db2.gz ZIVJZHQPVAJZHZ-GOSISDBHSA-N 0 0 492.693 4.555 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164799707 721601245 /nfs/dbraw/zinc/60/12/45/721601245.db2.gz JTCVVNXNLFQKQQ-JTSKRJEESA-N 0 0 459.928 4.750 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)c1 ZINC001164799711 721601351 /nfs/dbraw/zinc/60/13/51/721601351.db2.gz JTCVVNXNLFQKQQ-VGOFRKELSA-N 0 0 459.928 4.750 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164801085 721601881 /nfs/dbraw/zinc/60/18/81/721601881.db2.gz NUSNBIVJMCXPPV-HRAATJIYSA-N 0 0 479.984 4.897 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164802710 721603619 /nfs/dbraw/zinc/60/36/19/721603619.db2.gz TUGLZVRLJDWBNY-KRWDZBQOSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164802711 721603659 /nfs/dbraw/zinc/60/36/59/721603659.db2.gz TUGLZVRLJDWBNY-QGZVFWFLSA-N 0 0 474.939 4.925 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164797555 721605476 /nfs/dbraw/zinc/60/54/76/721605476.db2.gz BVOAOJHISIEBNX-LJQANCHMSA-N 0 0 455.292 4.687 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164803755 721605549 /nfs/dbraw/zinc/60/55/49/721605549.db2.gz WBFOPBHIZDVZTA-SFHVURJKSA-N 0 0 490.725 4.736 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164802663 721605597 /nfs/dbraw/zinc/60/55/97/721605597.db2.gz SGSKDQVGLITJJT-LJQANCHMSA-N 0 0 473.282 4.826 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1 ZINC001164798491 721606107 /nfs/dbraw/zinc/60/61/07/721606107.db2.gz GYBSHGYSCSDLPH-XMMPIXPASA-N 0 0 485.966 4.790 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009746 721692208 /nfs/dbraw/zinc/69/22/08/721692208.db2.gz QZARXUAEGXCEPL-ZDWFVDTJSA-N 0 0 476.955 4.653 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165010730 721705666 /nfs/dbraw/zinc/70/56/66/721705666.db2.gz LESSJECCUGYLOA-UHFFFAOYSA-N 0 0 476.959 4.669 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001165011382 721721739 /nfs/dbraw/zinc/72/17/39/721721739.db2.gz PPOCPIYHPUMYFM-UHFFFAOYSA-N 0 0 466.989 4.850 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165007624 721726692 /nfs/dbraw/zinc/72/66/92/721726692.db2.gz FVPGPSSRPCIRNM-RUZDIDTESA-N 0 0 455.672 4.521 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001165008143 721726749 /nfs/dbraw/zinc/72/67/49/721726749.db2.gz JXTHELTVUMYBFX-XHCCPWGMSA-N 0 0 481.710 4.639 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c(Cl)nn2)c1 ZINC001165009299 721728308 /nfs/dbraw/zinc/72/83/08/721728308.db2.gz WBTURZMMFPJAQU-QFIPXVFZSA-N 0 0 464.944 4.578 20 0 JJADRN FC1(F)CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164910871 721738484 /nfs/dbraw/zinc/73/84/84/721738484.db2.gz HYZTYUSHHWEDPA-SFHVURJKSA-N 0 0 477.770 4.831 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cnc(Cl)nc1Cl)C[C@@H]2c1ccccc1 ZINC001164912953 721739304 /nfs/dbraw/zinc/73/93/04/721739304.db2.gz RSVMKUAUDANXLW-GCJKJVERSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccnc(Cl)c1)C[C@@H]2c1ccccc1 ZINC001164909094 721739490 /nfs/dbraw/zinc/73/94/90/721739490.db2.gz BCIGLCHZEPOPJI-OFNKIYASSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccnc(Cl)c1F)C[C@@H]2c1ccccc1 ZINC001164912588 721739816 /nfs/dbraw/zinc/73/98/16/721739816.db2.gz OAPCYKSUEZJDQH-XXBNENTESA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1nc(Cl)ncc1Cl)C[C@@H]2c1ccccc1 ZINC001164910584 721740092 /nfs/dbraw/zinc/74/00/92/721740092.db2.gz GMWDENHLMLLVDU-VGSWGCGISA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccc(F)c(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164912799 721740158 /nfs/dbraw/zinc/74/01/58/721740158.db2.gz QGOLARWDOFNFIO-JPYJTQIMSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1nc(Cl)ccc1F)C[C@@H]2c1ccccc1 ZINC001164912663 721740726 /nfs/dbraw/zinc/74/07/26/721740726.db2.gz PERMOSNBKKWORH-JPYJTQIMSA-N 0 0 472.898 4.841 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c(Cl)n1 ZINC001164911228 721741020 /nfs/dbraw/zinc/74/10/20/721741020.db2.gz IWLLXTBAUSVWFB-YKSBVNFPSA-N 0 0 484.934 4.711 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164908889 721745293 /nfs/dbraw/zinc/74/52/93/721745293.db2.gz NQUMCKJGTFWXMN-UHFFFAOYSA-N 0 0 454.308 4.511 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164909986 721746048 /nfs/dbraw/zinc/74/60/48/721746048.db2.gz WPWHNZBGKFSWGP-UHFFFAOYSA-N 0 0 465.957 4.580 20 0 JJADRN CCc1nc2sc3c(c2c(N2CCc4c(CN(C)Cc5ccco5)cncc4C2)n1)CCC3 ZINC001164911820 721760749 /nfs/dbraw/zinc/76/07/49/721760749.db2.gz SEOFKBZJGBDNNZ-UHFFFAOYSA-N 0 0 459.619 4.925 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164909497 721763137 /nfs/dbraw/zinc/76/31/37/721763137.db2.gz BKGVLIBXCSULEL-UHFFFAOYSA-N 0 0 468.557 4.621 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164910542 721763686 /nfs/dbraw/zinc/76/36/86/721763686.db2.gz HXMWEYHKBPZYSR-UHFFFAOYSA-N 0 0 486.910 4.513 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)[C@@H]2C1 ZINC001165020589 721771964 /nfs/dbraw/zinc/77/19/64/721771964.db2.gz YROLKOAVISYNAW-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)[C@H]2C1 ZINC001165015755 721772257 /nfs/dbraw/zinc/77/22/57/721772257.db2.gz MKIHMWIWDOQBJW-APWZRJJASA-N 0 0 458.896 4.676 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)cc1 ZINC001165017021 721773689 /nfs/dbraw/zinc/77/36/89/721773689.db2.gz QPXZACBEFKYVSW-FXAWDEMLSA-N 0 0 472.923 4.984 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165017271 721780854 /nfs/dbraw/zinc/78/08/54/721780854.db2.gz GDNCNQRVCQUIIW-AOIWGVFYSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165016838 721781013 /nfs/dbraw/zinc/78/10/13/721781013.db2.gz FAGDDSRWBSAJPB-QRVBRYPASA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165019272 721783053 /nfs/dbraw/zinc/78/30/53/721783053.db2.gz JXYCQKJGOQCNMB-JBACZVJFSA-N 0 0 478.927 4.580 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165019912 721790868 /nfs/dbraw/zinc/79/08/68/721790868.db2.gz KUKVLCFKWGLLQM-CMPLNLGQSA-N 0 0 484.721 4.629 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]2CN1c1cccnc1 ZINC001165022817 721792344 /nfs/dbraw/zinc/79/23/44/721792344.db2.gz OMMRVZWTHMGAGE-FOIQADDNSA-N 0 0 458.871 4.580 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@@H]2CN1c1cccnc1 ZINC001165018899 721793467 /nfs/dbraw/zinc/79/34/67/721793467.db2.gz ISEOWSRRSYDHQT-UZLBHIALSA-N 0 0 491.929 4.989 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915405 721802338 /nfs/dbraw/zinc/80/23/38/721802338.db2.gz JVNXOYHADUQCSW-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164914781 721802749 /nfs/dbraw/zinc/80/27/49/721802749.db2.gz GFWLWBPMFKPCFI-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164914237 721802962 /nfs/dbraw/zinc/80/29/62/721802962.db2.gz BHPRDMSCJDCBEA-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915066 721806805 /nfs/dbraw/zinc/80/68/05/721806805.db2.gz HQFFMNYDAFESCL-GCJKJVERSA-N 0 0 458.896 4.554 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164917662 721807946 /nfs/dbraw/zinc/80/79/46/721807946.db2.gz OINRGXNSKDZXTR-XXBNENTESA-N 0 0 488.922 4.562 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164917659 721807984 /nfs/dbraw/zinc/80/79/84/721807984.db2.gz OINRGXNSKDZXTR-WMZHIEFXSA-N 0 0 488.922 4.562 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918550 721809131 /nfs/dbraw/zinc/80/91/31/721809131.db2.gz RIFNCGSFNRCNFI-NORZTCDRSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915538 721809137 /nfs/dbraw/zinc/80/91/37/721809137.db2.gz BPHVRYFSROJKLK-JDSLSITLSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917201 721809167 /nfs/dbraw/zinc/80/91/67/721809167.db2.gz LBRCGEDIAIAKIN-XTQGRXLLSA-N 0 0 450.338 4.590 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164918588 721810215 /nfs/dbraw/zinc/81/02/15/721810215.db2.gz RTBHVFGJGALWPP-IIYDPXPESA-N 0 0 461.987 4.659 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915852 721811073 /nfs/dbraw/zinc/81/10/73/721811073.db2.gz CTETZHROTSURIM-LDQXTDLNSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164918801 721811123 /nfs/dbraw/zinc/81/11/23/721811123.db2.gz SXASVHOVFGLXOO-XWFZLUIHSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164916450 721811384 /nfs/dbraw/zinc/81/13/84/721811384.db2.gz HRBHOOHYRNVQGQ-OZOXKJRCSA-N 0 0 492.979 4.999 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164917396 721814295 /nfs/dbraw/zinc/81/42/95/721814295.db2.gz LVTKYPAYNVTHBA-UHFFFAOYSA-N 0 0 460.532 4.521 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164919489 721821087 /nfs/dbraw/zinc/82/10/87/721821087.db2.gz RSCRCGHTGJUYPG-UHFFFAOYSA-N 0 0 459.381 4.522 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)CC1 ZINC001164919410 721822090 /nfs/dbraw/zinc/82/20/90/721822090.db2.gz PZBJUPLYGNTJHY-UHFFFAOYSA-N 0 0 472.971 4.596 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001165020919 721832827 /nfs/dbraw/zinc/83/28/27/721832827.db2.gz FRTOSSNDPDYGOS-UHFFFAOYSA-N 0 0 450.823 4.597 20 0 JJADRN CCOC(=O)C1(F)CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC001165018003 721834818 /nfs/dbraw/zinc/83/48/18/721834818.db2.gz PFPZNCFZMYKOGA-KRWDZBQOSA-N 0 0 474.646 4.674 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164922202 721836086 /nfs/dbraw/zinc/83/60/86/721836086.db2.gz GAWPWTOBWXRUMI-QVKFZJNVSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164922203 721836148 /nfs/dbraw/zinc/83/61/48/721836148.db2.gz GAWPWTOBWXRUMI-VFNWGFHPSA-N 0 0 495.361 4.536 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc3ncnc(Cl)c3c2)CC1 ZINC001165020190 721839944 /nfs/dbraw/zinc/83/99/44/721839944.db2.gz FPKGNDHCXYBNEH-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164922279 721839983 /nfs/dbraw/zinc/83/99/83/721839983.db2.gz GVISDGJTYRLPGT-KZULUSFZSA-N 0 0 464.727 4.651 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164922870 721841325 /nfs/dbraw/zinc/84/13/25/721841325.db2.gz RYLOCCFXOKUVDL-HXOBKFHXSA-N 0 0 463.956 4.613 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@H]21)NC1CCC1 ZINC001164934943 721897438 /nfs/dbraw/zinc/89/74/38/721897438.db2.gz UQMUKPWMRDIVNL-REDKUUPNSA-N 0 0 493.957 4.986 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]21)NC1CCC1 ZINC001164933402 721897525 /nfs/dbraw/zinc/89/75/25/721897525.db2.gz LMRBUOYPZWMUMX-BUVFEPMLSA-N 0 0 493.957 4.986 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)c(Cl)nn2)cc1 ZINC001164935341 721898013 /nfs/dbraw/zinc/89/80/13/721898013.db2.gz VQSPJAQWYAWGSG-JUXOCIIHSA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930053 721898911 /nfs/dbraw/zinc/89/89/11/721898911.db2.gz YIDGHVHLABRZAB-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164928963 721899407 /nfs/dbraw/zinc/89/94/07/721899407.db2.gz SWCNRSQJVHEIPC-UHFFFAOYSA-N 0 0 479.358 4.886 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)c2ccccc21)N1CCCC1 ZINC001164928367 721899669 /nfs/dbraw/zinc/89/96/69/721899669.db2.gz NKGAMHOOKGGPKS-UHFFFAOYSA-N 0 0 476.980 4.521 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4sc(-c5ccccc5)cc42)CC3)n1 ZINC001164936139 721907149 /nfs/dbraw/zinc/90/71/49/721907149.db2.gz KIFWWESYNIAJMO-UHFFFAOYSA-N 0 0 495.052 4.617 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2ncnc4scc(-c5ccc(Cl)cc5)c42)CC3)n1 ZINC001164936818 721907653 /nfs/dbraw/zinc/90/76/53/721907653.db2.gz XWJYDKYWFRUTJD-UHFFFAOYSA-N 0 0 495.052 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c3ccccc32)cc1C ZINC001164935158 721908123 /nfs/dbraw/zinc/90/81/23/721908123.db2.gz AKKVWLZDPRQMCP-UHFFFAOYSA-N 0 0 482.632 4.519 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164934958 721910887 /nfs/dbraw/zinc/91/08/87/721910887.db2.gz ACKOLLIKJILNPL-QRWLVFNGSA-N 0 0 472.898 4.832 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164939180 721911008 /nfs/dbraw/zinc/91/10/08/721911008.db2.gz NBGCMBAUOJTIPP-RISCZKNCSA-N 0 0 463.809 4.789 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165044156 721939784 /nfs/dbraw/zinc/93/97/84/721939784.db2.gz KUMIHDSQJMADIN-UHFFFAOYSA-N 0 0 458.727 4.943 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@H]21 ZINC001164947858 721945093 /nfs/dbraw/zinc/94/50/93/721945093.db2.gz YISAHVDAKNEQFW-DNQXCXABSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164943920 721949338 /nfs/dbraw/zinc/94/93/38/721949338.db2.gz PRNWHCNQGBRNFM-RPWUZVMVSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164943918 721949350 /nfs/dbraw/zinc/94/93/50/721949350.db2.gz PRNWHCNQGBRNFM-BJKOFHAPSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@H]21 ZINC001164942412 721955712 /nfs/dbraw/zinc/95/57/12/721955712.db2.gz DWAOLNJDNVWCPT-NHCUHLMSSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C[C@H]21 ZINC001164951594 721956422 /nfs/dbraw/zinc/95/64/22/721956422.db2.gz ZUZJBWRCQKPPIZ-MOPGFXCFSA-N 0 0 481.647 4.731 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@H]21 ZINC001164945452 721960320 /nfs/dbraw/zinc/96/03/20/721960320.db2.gz MLJNAWLLIRPTFV-SXOMAYOGSA-N 0 0 481.600 4.813 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@@H]12 ZINC001164946343 721965483 /nfs/dbraw/zinc/96/54/83/721965483.db2.gz NQFMKEGUUXIZAD-AUSIDOKSSA-N 0 0 474.914 4.736 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c1 ZINC001164944866 721966863 /nfs/dbraw/zinc/96/68/63/721966863.db2.gz KCLGOKIGMYOXKF-FPOVZHCZSA-N 0 0 451.970 4.771 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)C[C@H]12 ZINC001164942803 721967251 /nfs/dbraw/zinc/96/72/51/721967251.db2.gz CXZVEFOXURWOBH-NEKDWFFYSA-N 0 0 489.689 4.673 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(CN4CCCC4)nc4sc(C)c(C)c43)C[C@H]12 ZINC001164942800 721967351 /nfs/dbraw/zinc/96/73/51/721967351.db2.gz CXZVEFOXURWOBH-FIPFOOKPSA-N 0 0 489.689 4.673 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@H]12 ZINC001164944787 721967420 /nfs/dbraw/zinc/96/74/20/721967420.db2.gz JLGUJCVKQXUXSV-GMAHTHKFSA-N 0 0 472.923 4.704 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]12 ZINC001164950285 721967719 /nfs/dbraw/zinc/96/77/19/721967719.db2.gz ZZGCAGVDVXXMBX-OFNKIYASSA-N 0 0 456.924 4.597 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165051725 721988980 /nfs/dbraw/zinc/98/89/80/721988980.db2.gz WTCFBAILIUPAFQ-UHFFFAOYSA-N 0 0 465.957 4.505 20 0 JJADRN COC[C@@]12COC[C@H]1CN(c1nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948187 721995062 /nfs/dbraw/zinc/99/50/62/721995062.db2.gz FBHOZHDSGFNRNU-CJAUYULYSA-N 0 0 484.691 4.751 20 0 JJADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950802 721999575 /nfs/dbraw/zinc/99/95/75/721999575.db2.gz JRFBMHIMNJKHJZ-QFUCXCTJSA-N 0 0 490.963 4.570 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001164950451 722004853 /nfs/dbraw/zinc/00/48/53/722004853.db2.gz CMKSIBDZNUMLKG-MSOLQXFVSA-N 0 0 478.934 4.914 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]21 ZINC001164953999 722004932 /nfs/dbraw/zinc/00/49/32/722004932.db2.gz UMGHZRQWYJHZDG-ZWKOTPCHSA-N 0 0 478.934 4.914 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001164952639 722005272 /nfs/dbraw/zinc/00/52/72/722005272.db2.gz OFGZBBPMPLJSAI-IRXDYDNUSA-N 0 0 478.934 4.914 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]21 ZINC001164950014 722005480 /nfs/dbraw/zinc/00/54/80/722005480.db2.gz BATXKBZXCMWMMO-JKSUJKDBSA-N 0 0 473.911 4.549 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@@H]21 ZINC001164953988 722005640 /nfs/dbraw/zinc/00/56/40/722005640.db2.gz UHVBVRUHSZRUBN-DOTOQJQBSA-N 0 0 473.911 4.549 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001164950169 722005895 /nfs/dbraw/zinc/00/58/95/722005895.db2.gz CCTQUQSOVUPCSG-KGLIPLIRSA-N 0 0 472.952 4.547 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]21 ZINC001164950166 722005936 /nfs/dbraw/zinc/00/59/36/722005936.db2.gz CCTQUQSOVUPCSG-KBPBESRZSA-N 0 0 472.952 4.547 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164952551 722006622 /nfs/dbraw/zinc/00/66/22/722006622.db2.gz NNWJPIHWYMDPGN-UHFFFAOYSA-N 0 0 493.949 4.862 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cc(Cl)cnc2Cl)CC3)cs1 ZINC001164954004 722006922 /nfs/dbraw/zinc/00/69/22/722006922.db2.gz UPSVHZMDVFLLJW-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN CSc1ccc(C(F)(F)N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1Cl ZINC001164953462 722006946 /nfs/dbraw/zinc/00/69/46/722006946.db2.gz QRWARUVOZSBHNB-UHFFFAOYSA-N 0 0 483.009 4.582 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cnc(Cl)c(C4CC4)c2)CC3)cs1 ZINC001164953580 722007321 /nfs/dbraw/zinc/00/73/21/722007321.db2.gz ROVNIDLMRQAAFK-UHFFFAOYSA-N 0 0 476.980 4.737 20 0 JJADRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1 ZINC001164953722 722011669 /nfs/dbraw/zinc/01/16/69/722011669.db2.gz GGRHDWBJBOSDHB-PGRDOPGGSA-N 0 0 470.992 4.727 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)n1 ZINC001164964066 722025676 /nfs/dbraw/zinc/02/56/76/722025676.db2.gz VBMJMQGCVYVCDV-YLJYHZDGSA-N 0 0 473.351 4.624 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)n1 ZINC001164957452 722026019 /nfs/dbraw/zinc/02/60/19/722026019.db2.gz CCYPNHMGAPPJOY-NQIIRXRSSA-N 0 0 485.000 4.693 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ccc2F)C3)n1 ZINC001164964316 722026469 /nfs/dbraw/zinc/02/64/69/722026469.db2.gz WHNSLNYRITVUHC-NQIIRXRSSA-N 0 0 455.908 4.715 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164958998 722028259 /nfs/dbraw/zinc/02/82/59/722028259.db2.gz HJSLYZFSCRVGHZ-GVDBMIGSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164957247 722028464 /nfs/dbraw/zinc/02/84/64/722028464.db2.gz AQJZTRLCKQENEH-SBHAEUEKSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164957853 722029684 /nfs/dbraw/zinc/02/96/84/722029684.db2.gz NMRKOAUVIZTDAO-ZVDOUQERSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164956905 722029696 /nfs/dbraw/zinc/02/96/96/722029696.db2.gz KRFYLLLHHRSGKG-LZLYRXPVSA-N 0 0 482.915 4.753 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164957834 722029722 /nfs/dbraw/zinc/02/97/22/722029722.db2.gz NMRKOAUVIZTDAO-QKNQBKEWSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164957841 722029822 /nfs/dbraw/zinc/02/98/22/722029822.db2.gz NMRKOAUVIZTDAO-SBHAEUEKSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164958292 722029847 /nfs/dbraw/zinc/02/98/47/722029847.db2.gz OMJARDCKDAAYSS-XUVXKRRUSA-N 0 0 476.886 4.691 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164962423 722034284 /nfs/dbraw/zinc/03/42/84/722034284.db2.gz XJFKKDMJNLDKRD-UGSOOPFHSA-N 0 0 461.727 4.515 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164956522 722035116 /nfs/dbraw/zinc/03/51/16/722035116.db2.gz HNFKVLHEOUTKLA-YADARESESA-N 0 0 484.934 4.755 20 0 JJADRN CSc1ccc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)nc1Cl ZINC001164962952 722038766 /nfs/dbraw/zinc/03/87/66/722038766.db2.gz OYEQJKRZVJJJEO-UUVAVEHKSA-N 0 0 472.026 4.885 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]3O2)n1 ZINC001164962250 722042416 /nfs/dbraw/zinc/04/24/16/722042416.db2.gz OAQKPCMTSMMYAS-FNHZYXHNSA-N 0 0 464.875 4.614 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)cnc2Cl)c1 ZINC001164959657 722049217 /nfs/dbraw/zinc/04/92/17/722049217.db2.gz RECHLAUQZXVHRM-JXFKEZNVSA-N 0 0 473.907 4.899 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)c(Cl)nn2)c1 ZINC001164960296 722049326 /nfs/dbraw/zinc/04/93/26/722049326.db2.gz UWRGVIWCXNGWGT-LPHOPBHVSA-N 0 0 458.896 4.594 20 0 JJADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956885 722049750 /nfs/dbraw/zinc/04/97/50/722049750.db2.gz DOFGYQPTVHWNPG-UHFFFAOYSA-N 0 0 481.938 4.652 20 0 JJADRN COc1ccc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1Cl ZINC001164959191 722049949 /nfs/dbraw/zinc/04/99/49/722049949.db2.gz PVMGHTQVGZKZMS-UHFFFAOYSA-N 0 0 470.911 4.777 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]3C)c1 ZINC001164965184 722062891 /nfs/dbraw/zinc/06/28/91/722062891.db2.gz JGCAEOZZRBPQOG-CQSZACIVSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]3C)c1 ZINC001164965148 722062938 /nfs/dbraw/zinc/06/29/38/722062938.db2.gz JBXNHVVGGRNCPL-AWEZNQCLSA-N 0 0 451.880 4.617 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164965475 722065997 /nfs/dbraw/zinc/06/59/97/722065997.db2.gz KFMXZQUQMHNGAX-CVEARBPZSA-N 0 0 466.966 4.958 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164967420 722078321 /nfs/dbraw/zinc/07/83/21/722078321.db2.gz FQJQDAZGFITBGJ-UHFFFAOYSA-N 0 0 477.342 4.941 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164968070 722078431 /nfs/dbraw/zinc/07/84/31/722078431.db2.gz OZYLKTOWTVXPMB-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)Cc2ccccc2CNC3=O)c(Cl)nn1 ZINC001164967879 722078719 /nfs/dbraw/zinc/07/87/19/722078719.db2.gz MENNCFUYFMDVOZ-UHFFFAOYSA-N 0 0 498.961 4.810 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]21 ZINC001164969475 722080159 /nfs/dbraw/zinc/08/01/59/722080159.db2.gz KTZBZYPROMCQDD-PUHATCMVSA-N 0 0 485.966 4.659 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968411 722082348 /nfs/dbraw/zinc/08/23/48/722082348.db2.gz CDYLBMBRQOQFEL-UNMCSNQZSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164970555 722082605 /nfs/dbraw/zinc/08/26/05/722082605.db2.gz YVSITTLDHNDLSH-PZJWPPBQSA-N 0 0 479.930 4.550 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970293 722083061 /nfs/dbraw/zinc/08/30/61/722083061.db2.gz VWWKOQMVMKSAQV-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3onc(COc4ccccn4)c3C2)n1 ZINC001164968675 722083173 /nfs/dbraw/zinc/08/31/73/722083173.db2.gz GNCPPFGOXDGLNS-UHFFFAOYSA-N 0 0 498.612 4.945 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968685 722083195 /nfs/dbraw/zinc/08/31/95/722083195.db2.gz GUYTYKOUKKQFGZ-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2C1 ZINC001164974130 722085119 /nfs/dbraw/zinc/08/51/19/722085119.db2.gz PBPMKHSIEKASQH-RTBURBONSA-N 0 0 461.940 4.958 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5CC(C(=O)NC6CCC6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164976760 722085496 /nfs/dbraw/zinc/08/54/96/722085496.db2.gz WMZTYPYQYSQUQL-WOJBJXKFSA-N 0 0 493.721 4.543 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C[C@@H]2C1 ZINC001164973379 722086173 /nfs/dbraw/zinc/08/61/73/722086173.db2.gz NSIDMOIWSUGSCD-GJZGRUSLSA-N 0 0 464.919 4.612 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c2c1C ZINC001164974993 722091658 /nfs/dbraw/zinc/09/16/58/722091658.db2.gz PPPNIVJNKFPXJL-OAQYLSRUSA-N 0 0 481.710 4.817 20 0 JJADRN 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ZINC001164993002 722185083 /nfs/dbraw/zinc/18/50/83/722185083.db2.gz YMVDIIIUGFMKTQ-BTZRARBUSA-N 0 0 492.693 4.643 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)CC[C@H]32)cs1 ZINC001164988175 722185609 /nfs/dbraw/zinc/18/56/09/722185609.db2.gz MKXDIDCGKCPLBQ-WOJBJXKFSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164992144 722186172 /nfs/dbraw/zinc/18/61/72/722186172.db2.gz VFMGKSVVCVKSPC-RBUKOAKNSA-N 0 0 479.984 4.856 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4C)CC[C@H]32)cs1 ZINC001164992535 722186415 /nfs/dbraw/zinc/18/64/15/722186415.db2.gz WWMNEIVLCXHEJH-DENIHFKCSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4C)CC[C@@H]32)cs1 ZINC001164992538 722186417 /nfs/dbraw/zinc/18/64/17/722186417.db2.gz WWMNEIVLCXHEJH-UGKGYDQZSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4cccc(C)c4)CC[C@@H]32)cs1 ZINC001164988099 722186434 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ZINC001359744505 1064316582 /nfs/dbraw/zinc/31/65/82/1064316582.db2.gz JUXFMOODXKWYPY-SFHVURJKSA-N 0 0 469.630 4.869 20 0 JJADRN COc1cc(Br)c(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)cc1OC ZINC001434884809 1064316753 /nfs/dbraw/zinc/31/67/53/1064316753.db2.gz KTZBQFNKUYWBDJ-UHFFFAOYSA-N 0 0 454.390 4.836 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359744709 1064317385 /nfs/dbraw/zinc/31/73/85/1064317385.db2.gz PWKLENXZMUTKTN-VXKWHMMOSA-N 0 0 463.592 4.820 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@@H]2COCCO2)CC1 ZINC001359745158 1064318056 /nfs/dbraw/zinc/31/80/56/1064318056.db2.gz BNCQPXHQLUEVHK-LJQANCHMSA-N 0 0 483.440 4.842 20 0 JJADRN O=C(NCCc1ccccc1C(F)(F)F)c1ccc(Cl)c(I)c1 ZINC001434886946 1064318374 /nfs/dbraw/zinc/31/83/74/1064318374.db2.gz WAPJEDNEPQEULL-UHFFFAOYSA-N 0 0 453.629 4.936 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC001434886707 1064318387 /nfs/dbraw/zinc/31/83/87/1064318387.db2.gz ZJCSZUGKQVMKAS-UHFFFAOYSA-N 0 0 456.542 4.589 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)cc1 ZINC001434886843 1064318518 /nfs/dbraw/zinc/31/85/18/1064318518.db2.gz VMXJGWZTOSFAQK-SFHVURJKSA-N 0 0 456.546 4.874 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)C1 ZINC001359745440 1064318992 /nfs/dbraw/zinc/31/89/92/1064318992.db2.gz JNBJNYDJAIMISO-QGZVFWFLSA-N 0 0 462.063 4.765 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)C1 ZINC001359745439 1064319031 /nfs/dbraw/zinc/31/90/31/1064319031.db2.gz JNBJNYDJAIMISO-KRWDZBQOSA-N 0 0 462.063 4.765 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)c1ccc(Br)cc1Cl ZINC001434889237 1064319898 /nfs/dbraw/zinc/31/98/98/1064319898.db2.gz TUTNCOMZCPZMFW-UHFFFAOYSA-N 0 0 458.743 4.955 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001359745698 1064320484 /nfs/dbraw/zinc/32/04/84/1064320484.db2.gz OTONOEPKJNWTSI-HXUWFJFHSA-N 0 0 457.585 4.666 20 0 JJADRN CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 ZINC001434890282 1064320431 /nfs/dbraw/zinc/32/04/31/1064320431.db2.gz PIWBQPLLYOLDTE-IIBYNOLFSA-N 0 0 459.384 4.605 20 0 JJADRN COc1ccc(CNC(=O)CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC001434890870 1064320705 /nfs/dbraw/zinc/32/07/05/1064320705.db2.gz MQBUNWVXKAEGSQ-UHFFFAOYSA-N 0 0 459.329 4.841 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359745880 1064321194 /nfs/dbraw/zinc/32/11/94/1064321194.db2.gz SPTSGHREXIOVJJ-IBGZPJMESA-N 0 0 474.049 4.784 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@@](C)=O)CC2)CC1 ZINC001359745853 1064321423 /nfs/dbraw/zinc/32/14/23/1064321423.db2.gz SCRQQOWBIXIPMB-WJOKGBTCSA-N 0 0 485.481 4.947 20 0 JJADRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001434892755 1064322413 /nfs/dbraw/zinc/32/24/13/1064322413.db2.gz AVWBONCJSPSRFM-UHFFFAOYSA-N 0 0 452.454 4.962 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001359746125 1064322694 /nfs/dbraw/zinc/32/26/94/1064322694.db2.gz ZNNMDECZOOGSGX-GUDVDZBRSA-N 0 0 477.447 4.775 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C2CC(C(C)(C)C)C2)CCO1 ZINC001359746248 1064322844 /nfs/dbraw/zinc/32/28/44/1064322844.db2.gz BTIMPVPWFAUHGX-PVARCSIZSA-N 0 0 450.425 4.894 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccsc2)C1 ZINC001359746114 1064322865 /nfs/dbraw/zinc/32/28/65/1064322865.db2.gz ZJHWXSKOKHLBPT-SLFFLAALSA-N 0 0 459.660 4.835 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2C)C1 ZINC001359746128 1064322932 /nfs/dbraw/zinc/32/29/32/1064322932.db2.gz ZNNMDECZOOGSGX-QRVBRYPASA-N 0 0 477.447 4.775 20 0 JJADRN CCOC(=O)c1ccc(N(CC2CC2)C(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC001434893967 1064323021 /nfs/dbraw/zinc/32/30/21/1064323021.db2.gz IMXLIDOIDUJUDI-UHFFFAOYSA-N 0 0 450.560 4.885 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCCC2)CCS1 ZINC001359746466 1064323484 /nfs/dbraw/zinc/32/34/84/1064323484.db2.gz GUQCKOMOHOGAPG-HXUWFJFHSA-N 0 0 496.519 4.973 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCCC2)CCS1 ZINC001359746465 1064323497 /nfs/dbraw/zinc/32/34/97/1064323497.db2.gz GUQCKOMOHOGAPG-FQEVSTJZSA-N 0 0 496.519 4.973 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1 ZINC001434895435 1064323897 /nfs/dbraw/zinc/32/38/97/1064323897.db2.gz CRZOFGUAZXAXPB-JOCHJYFZSA-N 0 0 450.539 4.514 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC[C@H](F)C2)CCO1 ZINC001359746528 1064324343 /nfs/dbraw/zinc/32/43/43/1064324343.db2.gz IEOFUSFTXSXINH-VCBZYWHSSA-N 0 0 469.374 4.846 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001434896667 1064324378 /nfs/dbraw/zinc/32/43/78/1064324378.db2.gz NTWACLYNEKHRRK-DYESRHJHSA-N 0 0 455.555 4.645 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc2n1 ZINC001434896930 1064324484 /nfs/dbraw/zinc/32/44/84/1064324484.db2.gz KFDIIYVWSQKZLJ-FQEVSTJZSA-N 0 0 457.361 4.851 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc2c(Br)cccc2cn1 ZINC001434896765 1064324586 /nfs/dbraw/zinc/32/45/86/1064324586.db2.gz KZAFSDZDPOZZLJ-UHFFFAOYSA-N 0 0 452.352 4.553 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)C[C@H]3OCc4ccccc43)cc2Cl)n1 ZINC001434896994 1064325173 /nfs/dbraw/zinc/32/51/73/1064325173.db2.gz NFEFVSREQHJNHF-KSFYIVLOSA-N 0 0 452.942 4.953 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)c1ccnc2c1ncn2C ZINC001434897383 1064325271 /nfs/dbraw/zinc/32/52/71/1064325271.db2.gz RDYLBYKJCFOQLE-UHFFFAOYSA-N 0 0 454.408 4.767 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001359747096 1064325949 /nfs/dbraw/zinc/32/59/49/1064325949.db2.gz UBGUDPXTBQHOCU-BVSLBCMMSA-N 0 0 478.584 4.859 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSC(F)(F)F)CCO1 ZINC001359747128 1064326038 /nfs/dbraw/zinc/32/60/38/1064326038.db2.gz USFBGEBQHJDWPW-OAHLLOKOSA-N 0 0 466.476 4.661 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)c1ccc(N2CCOC2=O)cc1 ZINC001434897802 1064326208 /nfs/dbraw/zinc/32/62/08/1064326208.db2.gz BLEVDAMXCBYWJU-ZDUSSCGKSA-N 0 0 456.296 4.552 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCCCO2)CCO1 ZINC001359746997 1064326172 /nfs/dbraw/zinc/32/61/72/1064326172.db2.gz RGPGLIVRYMGPLV-PMACEKPBSA-N 0 0 463.420 4.528 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCCNC(=O)c2ccsc2)[C@H]1C ZINC001434898190 1064326323 /nfs/dbraw/zinc/32/63/23/1064326323.db2.gz JAGUUGHHSJMPIQ-LQWHRVPQSA-N 0 0 456.608 4.840 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 ZINC001359747158 1064326604 /nfs/dbraw/zinc/32/66/04/1064326604.db2.gz VELPFBRYHKKHTI-SFHVURJKSA-N 0 0 495.933 4.953 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccccn2)CCS1 ZINC001359747259 1064326626 /nfs/dbraw/zinc/32/66/26/1064326626.db2.gz XKURYEUGZKQJKK-FQEVSTJZSA-N 0 0 459.566 4.762 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCO2)CCS1 ZINC001359747150 1064326781 /nfs/dbraw/zinc/32/67/81/1064326781.db2.gz VCECOKWODUTBAO-QAPCUYQASA-N 0 0 469.424 4.604 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)c1C ZINC001434898832 1064326881 /nfs/dbraw/zinc/32/68/81/1064326881.db2.gz HLLNITHLXLXNQD-UHFFFAOYSA-N 0 0 450.630 4.517 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)s1 ZINC001434898816 1064326899 /nfs/dbraw/zinc/32/68/99/1064326899.db2.gz DUFLTFQENMSFPD-XMMPIXPASA-N 0 0 456.539 4.929 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2Cl)CCO1 ZINC001359747339 1064327239 /nfs/dbraw/zinc/32/72/39/1064327239.db2.gz ZFKKGRFRMAYACY-IBGZPJMESA-N 0 0 478.822 4.609 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccc(OC(C)C)n3)cc2Cl)n1 ZINC001434899359 1064327737 /nfs/dbraw/zinc/32/77/37/1064327737.db2.gz VRUOPEUHHWJMOI-MRXNPFEDSA-N 0 0 455.946 4.788 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001434900836 1064328289 /nfs/dbraw/zinc/32/82/89/1064328289.db2.gz LUBYNXKIFKGGOU-IERDGZPVSA-N 0 0 454.420 4.599 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001434901170 1064328309 /nfs/dbraw/zinc/32/83/09/1064328309.db2.gz LUBYNXKIFKGGOU-IIBYNOLFSA-N 0 0 454.420 4.599 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCCO2)CCS1 ZINC001359747496 1064328233 /nfs/dbraw/zinc/32/82/33/1064328233.db2.gz CSOUTGKVSDYVMN-LPHOPBHVSA-N 0 0 483.451 4.994 20 0 JJADRN C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC001434901285 1064328810 /nfs/dbraw/zinc/32/88/10/1064328810.db2.gz OYUYFNFBJGFLKT-LAUBAEHRSA-N 0 0 459.587 4.684 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)C[C@H]3CC(=O)Nc4ccccc43)c(C(F)(F)F)c2)n1 ZINC001434900907 1064329081 /nfs/dbraw/zinc/32/90/81/1064329081.db2.gz NRWKEFWMJGCZCQ-KRWDZBQOSA-N 0 0 456.468 4.640 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H](n3cccn3)C(F)(F)F)c(C(F)(F)F)c2)n1 ZINC001434900880 1064329160 /nfs/dbraw/zinc/32/91/60/1064329160.db2.gz NHWAMWWIVCWDFS-QGZVFWFLSA-N 0 0 459.394 4.514 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OC(F)F)c2)CCS1 ZINC001359747605 1064329638 /nfs/dbraw/zinc/32/96/38/1064329638.db2.gz FITBWPAPEVNVQF-INIZCTEOSA-N 0 0 480.972 4.616 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCCCC2=O)CCO1 ZINC001359747596 1064329686 /nfs/dbraw/zinc/32/96/86/1064329686.db2.gz FGABTBQPTPZHBK-QHCPKHFHSA-N 0 0 467.658 4.506 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)C1 ZINC001434901517 1064329801 /nfs/dbraw/zinc/32/98/01/1064329801.db2.gz OGHAHSNCCZUIKK-UXHICEINSA-N 0 0 455.396 4.626 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCSCC(F)(F)F)CCO1 ZINC001359747727 1064330486 /nfs/dbraw/zinc/33/04/86/1064330486.db2.gz HKVXFWXXIVPOCK-GOSISDBHSA-N 0 0 465.545 4.650 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)CCS1 ZINC001359747616 1064330613 /nfs/dbraw/zinc/33/06/13/1064330613.db2.gz FMCXWXBJESEPHB-HXUWFJFHSA-N 0 0 457.047 4.686 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC(=O)NC2CC2)CCS1 ZINC001359747813 1064331253 /nfs/dbraw/zinc/33/12/53/1064331253.db2.gz JGORSHLEPWYQPT-JOCHJYFZSA-N 0 0 469.699 4.879 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOCC2CCOCC2)CCO1 ZINC001359747940 1064331381 /nfs/dbraw/zinc/33/13/81/1064331381.db2.gz LGDKOUHVEORZMK-QFIPXVFZSA-N 0 0 497.467 4.946 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)(C)C)CCO1 ZINC001359747787 1064331421 /nfs/dbraw/zinc/33/14/21/1064331421.db2.gz INKAJTVPLIWQQP-GOSISDBHSA-N 0 0 469.399 4.523 20 0 JJADRN Cc1c(C(=O)Oc2c(Br)cccc2Br)nnn1-c1ccc(C)cc1 ZINC001434904542 1064331999 /nfs/dbraw/zinc/33/19/99/1064331999.db2.gz JRUATRAPAVVSFP-UHFFFAOYSA-N 0 0 451.118 4.628 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccnc(N2CCCCC2)n1 ZINC001434905157 1064332499 /nfs/dbraw/zinc/33/24/99/1064332499.db2.gz DBXAOVISUULWCX-OAQYLSRUSA-N 0 0 451.368 4.749 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCCO)CCO1 ZINC001359748157 1064332762 /nfs/dbraw/zinc/33/27/62/1064332762.db2.gz PNYMZCIDNDKMEL-IBGZPJMESA-N 0 0 485.854 4.775 20 0 JJADRN O=C(Oc1c(Br)cccc1Br)c1nc(Br)ccc1F ZINC001434905591 1064333220 /nfs/dbraw/zinc/33/32/20/1064333220.db2.gz QCAQGKDGBVHJLW-UHFFFAOYSA-N 0 0 453.887 4.727 20 0 JJADRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001434905656 1064333278 /nfs/dbraw/zinc/33/32/78/1064333278.db2.gz GVXFKPJZUBFLSJ-GOSISDBHSA-N 0 0 455.601 4.747 20 0 JJADRN COc1cc(CN(C)C(=O)c2cc(Br)cnc2OCC2CC2)ccc1SC ZINC001434906384 1064333942 /nfs/dbraw/zinc/33/39/42/1064333942.db2.gz VIAPLUVSIWUUEV-UHFFFAOYSA-N 0 0 451.386 4.636 20 0 JJADRN CCCCCCOCc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 ZINC001434907172 1064334585 /nfs/dbraw/zinc/33/45/85/1064334585.db2.gz NOFRCWOSHVHBSD-UPVQGACJSA-N 0 0 454.615 4.844 20 0 JJADRN CCCCCCOCc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 ZINC001434907174 1064334755 /nfs/dbraw/zinc/33/47/55/1064334755.db2.gz NOFRCWOSHVHBSD-VWNXMTODSA-N 0 0 454.615 4.844 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)CCO1 ZINC001359748449 1064334946 /nfs/dbraw/zinc/33/49/46/1064334946.db2.gz VYTGTOXLKZXDTA-KBXCAEBGSA-N 0 0 451.384 4.754 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001359748491 1064335705 /nfs/dbraw/zinc/33/57/05/1064335705.db2.gz WRFXWFSPEWMJMG-KRWDZBQOSA-N 0 0 479.025 4.796 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N2CCOCC2)CCS1 ZINC001359748605 1064335719 /nfs/dbraw/zinc/33/57/19/1064335719.db2.gz ZYFKMAKKUQHQPI-OFNKIYASSA-N 0 0 471.715 4.541 20 0 JJADRN Cc1cc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)ccc1Oc1ccc(F)cc1 ZINC001434909610 1064336263 /nfs/dbraw/zinc/33/62/63/1064336263.db2.gz ZRHTUSPYPGFCEF-WIOPSUGQSA-N 0 0 450.485 4.901 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)CCS1 ZINC001359748668 1064336334 /nfs/dbraw/zinc/33/63/34/1064336334.db2.gz BJKIHIDLPMFYOK-LJQANCHMSA-N 0 0 463.529 4.707 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001359748749 1064336426 /nfs/dbraw/zinc/33/64/26/1064336426.db2.gz CWMYQKDDPHJYHD-KRWDZBQOSA-N 0 0 461.035 4.657 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)Nc3cc(COc4cccc(F)c4)ccc3OC)C2)c1 ZINC001434910918 1064336777 /nfs/dbraw/zinc/33/67/77/1064336777.db2.gz BPEORBCTVGXWGC-DEOSSOPVSA-N 0 0 450.466 4.554 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001359749793 1064337816 /nfs/dbraw/zinc/33/78/16/1064337816.db2.gz ZHTISGGOAPAMBG-IBGZPJMESA-N 0 0 465.545 4.992 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359749627 1064337869 /nfs/dbraw/zinc/33/78/69/1064337869.db2.gz VMPSZYPCQUXZEK-PZJWPPBQSA-N 0 0 488.702 4.509 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2CCc2nc(C(C)(C)C)cs2)CCS1 ZINC001359749456 1064337903 /nfs/dbraw/zinc/33/79/03/1064337903.db2.gz RHBJVQZXGANSRP-SFHVURJKSA-N 0 0 456.685 4.915 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2CCc2nc(C(C)(C)C)cs2)CCS1 ZINC001359749455 1064338050 /nfs/dbraw/zinc/33/80/50/1064338050.db2.gz RHBJVQZXGANSRP-GOSISDBHSA-N 0 0 456.685 4.915 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359749626 1064338101 /nfs/dbraw/zinc/33/81/01/1064338101.db2.gz VMPSZYPCQUXZEK-FPOVZHCZSA-N 0 0 488.702 4.509 20 0 JJADRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001434911703 1064338284 /nfs/dbraw/zinc/33/82/84/1064338284.db2.gz XZWKCBXZJOWFGG-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1 ZINC001434911967 1064338393 /nfs/dbraw/zinc/33/83/93/1064338393.db2.gz HNSKYWDQJJSZBP-HOYKHHGWSA-N 0 0 450.510 4.549 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC(C)(F)F)CCS1 ZINC001359751111 1064339335 /nfs/dbraw/zinc/33/93/35/1064339335.db2.gz YMUXQPMAXMNZKR-IBGZPJMESA-N 0 0 490.624 4.859 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CCS1 ZINC001359750711 1064339583 /nfs/dbraw/zinc/33/95/83/1064339583.db2.gz RHHVTVNJCVWJTP-IPJJNNNSSA-N 0 0 484.588 4.548 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CCS1 ZINC001359750709 1064339636 /nfs/dbraw/zinc/33/96/36/1064339636.db2.gz RHHVTVNJCVWJTP-CNNODRBYSA-N 0 0 484.588 4.548 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC001434913336 1064339780 /nfs/dbraw/zinc/33/97/80/1064339780.db2.gz ZHFGZLJVKRTBFM-UHFFFAOYSA-N 0 0 454.246 4.974 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2ccsc2)CCS1 ZINC001359751811 1064340181 /nfs/dbraw/zinc/34/01/81/1064340181.db2.gz JVYQMZSIOXLMRO-NFBKMPQASA-N 0 0 478.634 4.694 20 0 JJADRN COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1sc(Cl)nc1C)CC2 ZINC001434913856 1064340425 /nfs/dbraw/zinc/34/04/25/1064340425.db2.gz SPWKYRSZAUAHSZ-UHFFFAOYSA-N 0 0 457.983 4.933 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(OC(F)F)c2)CCS1 ZINC001359752271 1064340842 /nfs/dbraw/zinc/34/08/42/1064340842.db2.gz QPJCXEZKWXMEOL-IBGZPJMESA-N 0 0 495.546 4.770 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(OC(F)F)c2)CCS1 ZINC001359752272 1064340963 /nfs/dbraw/zinc/34/09/63/1064340963.db2.gz QPJCXEZKWXMEOL-LJQANCHMSA-N 0 0 495.546 4.770 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3ncn(Cc4ccc(Br)cc4)n3)cc2)CC1 ZINC001434914278 1064341160 /nfs/dbraw/zinc/34/11/60/1064341160.db2.gz GJVRRTKIYMPKTL-UHFFFAOYSA-N 0 0 454.372 4.578 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CCS1 ZINC001359752689 1064341503 /nfs/dbraw/zinc/34/15/03/1064341503.db2.gz WPJQVRCMXUEFNZ-HKBOAZHASA-N 0 0 493.718 4.540 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CCS1 ZINC001359752814 1064341562 /nfs/dbraw/zinc/34/15/62/1064341562.db2.gz YCTHCGCUNWJGKQ-WOJBJXKFSA-N 0 0 466.598 4.942 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC001434915966 1064342782 /nfs/dbraw/zinc/34/27/82/1064342782.db2.gz CNDOJHUQDBVISY-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN CCOc1cccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c1 ZINC001434916147 1064343216 /nfs/dbraw/zinc/34/32/16/1064343216.db2.gz FUDUWMVWDXXVJI-OALUTQOASA-N 0 0 452.576 4.616 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001434916388 1064343387 /nfs/dbraw/zinc/34/33/87/1064343387.db2.gz UZIMKLSELAOLLV-DWXRJYCRSA-N 0 0 457.615 4.843 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC001434917212 1064344352 /nfs/dbraw/zinc/34/43/52/1064344352.db2.gz FHXVJYLPNNDEQG-UHFFFAOYSA-N 0 0 455.558 4.804 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2OC(F)F)CCS1 ZINC001359754038 1064344408 /nfs/dbraw/zinc/34/44/08/1064344408.db2.gz WNKMMLFBAYKEPZ-HXUWFJFHSA-N 0 0 477.556 4.631 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2csc(C(C)(C)C)n2)CCS1 ZINC001359754092 1064344443 /nfs/dbraw/zinc/34/44/43/1064344443.db2.gz XVLBMUNWLBNRBB-HXUWFJFHSA-N 0 0 470.712 4.838 20 0 JJADRN CCOc1cccc([C@@H](C)NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c1 ZINC001434916590 1064344430 /nfs/dbraw/zinc/34/44/30/1064344430.db2.gz JRXKSJJBFQEQFW-HXOBKFHXSA-N 0 0 451.567 4.880 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CCS1 ZINC001359754661 1064345024 /nfs/dbraw/zinc/34/50/24/1064345024.db2.gz JQJZVWRVYIGVLH-MOPGFXCFSA-N 0 0 453.077 4.984 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001359754921 1064345792 /nfs/dbraw/zinc/34/57/92/1064345792.db2.gz OQQZCSHWTAQEEK-FQEVSTJZSA-N 0 0 480.556 4.889 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)CCO1 ZINC001359755063 1064346556 /nfs/dbraw/zinc/34/65/56/1064346556.db2.gz RPFDLSIMWLFTTG-PMACEKPBSA-N 0 0 451.036 4.657 20 0 JJADRN CC[C@H](C(=O)Nc1cc(Br)ccc1Sc1nnnn1C)C1CCC(C)CC1 ZINC001434919946 1064347363 /nfs/dbraw/zinc/34/73/63/1064347363.db2.gz MMXIGAXWPHWNGO-PIMMBPRGSA-N 0 0 452.422 4.915 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC=CCC2)CCO1 ZINC001359755375 1064347689 /nfs/dbraw/zinc/34/76/89/1064347689.db2.gz YZZOCKSGGOYYGJ-GHTZIAJQSA-N 0 0 475.431 4.837 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)CCO1 ZINC001359755378 1064348629 /nfs/dbraw/zinc/34/86/29/1064348629.db2.gz YZZOCKSGGOYYGJ-WIYYLYMNSA-N 0 0 475.431 4.837 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC001359755475 1064349501 /nfs/dbraw/zinc/34/95/01/1064349501.db2.gz ASFLRGFXHCBFKH-IIBYNOLFSA-N 0 0 488.405 4.939 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001434921560 1064349787 /nfs/dbraw/zinc/34/97/87/1064349787.db2.gz OTNWAURSSFJZGI-OAQYLSRUSA-N 0 0 451.439 4.983 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1 ZINC001359755698 1064350202 /nfs/dbraw/zinc/35/02/02/1064350202.db2.gz FGQOQJQNXMVDGE-FPOVZHCZSA-N 0 0 474.049 4.549 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2CCCCO2)CCS1 ZINC001359755899 1064351523 /nfs/dbraw/zinc/35/15/23/1064351523.db2.gz IFQHLUKIYZYVFP-RBBKRZOGSA-N 0 0 462.635 4.923 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCC(F)(F)CC2)CCO1 ZINC001359755979 1064351549 /nfs/dbraw/zinc/35/15/49/1064351549.db2.gz JRXJKUJFCKWTEY-HSALFYBXSA-N 0 0 497.631 4.736 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)C2CC2)CCS1 ZINC001359756061 1064351621 /nfs/dbraw/zinc/35/16/21/1064351621.db2.gz KWWXEDWDWWWOND-DENIHFKCSA-N 0 0 485.481 4.903 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359755929 1064351665 /nfs/dbraw/zinc/35/16/65/1064351665.db2.gz IXQXYAGUNRUCFC-AEFFLSMTSA-N 0 0 472.939 4.553 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCOC(F)(F)F)CCS1 ZINC001359756126 1064352450 /nfs/dbraw/zinc/35/24/50/1064352450.db2.gz MDQNKTGZHVKXIB-QGZVFWFLSA-N 0 0 462.513 4.501 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359756264 1064352462 /nfs/dbraw/zinc/35/24/62/1064352462.db2.gz OEOOJQVQHBQPIO-DYVFJYSZSA-N 0 0 490.368 4.876 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001434924183 1064352854 /nfs/dbraw/zinc/35/28/54/1064352854.db2.gz DKAVOFWTXUXWON-UZUQRXQVSA-N 0 0 459.970 4.989 20 0 JJADRN CCCN(CC(F)F)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001434924884 1064352880 /nfs/dbraw/zinc/35/28/80/1064352880.db2.gz JVNIIPORSWDZIQ-UHFFFAOYSA-N 0 0 454.930 4.836 20 0 JJADRN CN(CCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001434924108 1064352925 /nfs/dbraw/zinc/35/29/25/1064352925.db2.gz IJOIRBYXUYRPMO-UHFFFAOYSA-N 0 0 456.539 4.682 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)Nc3ccc(OCC4CCCCC4)cc3)CC2=O)c1 ZINC001434925027 1064352938 /nfs/dbraw/zinc/35/29/38/1064352938.db2.gz OLVMUYIDTHEHFR-LJQANCHMSA-N 0 0 452.551 4.655 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOCC1CC1 ZINC001359756382 1064353245 /nfs/dbraw/zinc/35/32/45/1064353245.db2.gz QIJMOLMKCPSTGG-LAUBAEHRSA-N 0 0 495.437 4.771 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001359756284 1064353385 /nfs/dbraw/zinc/35/33/85/1064353385.db2.gz ONKQFODVNWIESR-QBTDHISASA-N 0 0 497.865 4.629 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC001434925481 1064353675 /nfs/dbraw/zinc/35/36/75/1064353675.db2.gz WESZLAYGBDIHNO-UHFFFAOYSA-N 0 0 456.542 4.507 20 0 JJADRN COC(=O)CCOc1ccc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)cc1 ZINC001434926115 1064354505 /nfs/dbraw/zinc/35/45/05/1064354505.db2.gz QIMLPUHYMMAVTF-UHFFFAOYSA-N 0 0 452.370 4.900 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSCC(F)(F)F)CCS1 ZINC001359756555 1064354700 /nfs/dbraw/zinc/35/47/00/1064354700.db2.gz UOVDTAMZEQCSEJ-KRWDZBQOSA-N 0 0 478.581 4.870 20 0 JJADRN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(COC3CCCCC3)c1)C2=O ZINC001434928169 1064355155 /nfs/dbraw/zinc/35/51/55/1064355155.db2.gz HYMXRFKUHUGDSP-HFJWLAOPSA-N 0 0 455.599 4.611 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 ZINC001359756873 1064355532 /nfs/dbraw/zinc/35/55/32/1064355532.db2.gz ZMHPZVMLUCEETB-RXVVDRJESA-N 0 0 470.415 4.800 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001359757140 1064356243 /nfs/dbraw/zinc/35/62/43/1064356243.db2.gz CXOROZQSZPILHM-MGPUTAFESA-N 0 0 488.410 4.700 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001359757117 1064356332 /nfs/dbraw/zinc/35/63/32/1064356332.db2.gz CNKNNMNCFLEWDK-FSSWDIPSSA-N 0 0 475.678 4.834 20 0 JJADRN CCN(CC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C(=O)OC(C)(C)C ZINC001434929068 1064356333 /nfs/dbraw/zinc/35/63/33/1064356333.db2.gz VVHJCMQNQBGBGE-UHFFFAOYSA-N 0 0 457.958 4.625 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC001434928796 1064356348 /nfs/dbraw/zinc/35/63/48/1064356348.db2.gz UBLSMKVRLHJENX-UHFFFAOYSA-N 0 0 452.479 4.907 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001359757439 1064357688 /nfs/dbraw/zinc/35/76/88/1064357688.db2.gz HQALCOOEQRWGHQ-FHZYATBESA-N 0 0 462.585 4.784 20 0 JJADRN Cc1ccc(I)cc1C(=O)NCc1c(C)cc(Br)cc1C ZINC001434931220 1064357707 /nfs/dbraw/zinc/35/77/07/1064357707.db2.gz DQECOZMCMYCADG-UHFFFAOYSA-N 0 0 458.137 4.909 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001434931261 1064358369 /nfs/dbraw/zinc/35/83/69/1064358369.db2.gz YIYLRKFLOBAPEW-RTBURBONSA-N 0 0 459.546 4.791 20 0 JJADRN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001545887437 1064359034 /nfs/dbraw/zinc/35/90/34/1064359034.db2.gz DVTYMWASYUVVLB-GOSISDBHSA-N 0 0 454.452 4.659 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001434932674 1064359067 /nfs/dbraw/zinc/35/90/67/1064359067.db2.gz LTQXQCWTGZICKD-UHFFFAOYSA-N 0 0 450.470 4.666 20 0 JJADRN CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC001434933416 1064359083 /nfs/dbraw/zinc/35/90/83/1064359083.db2.gz QXIMHSXSJOLJDU-KPZWWZAWSA-N 0 0 452.370 4.966 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(F)(F)F ZINC001359757837 1064359207 /nfs/dbraw/zinc/35/92/07/1064359207.db2.gz LRHWBIQWTCRQFV-XLIONFOSSA-N 0 0 462.520 4.581 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001434934453 1064360036 /nfs/dbraw/zinc/36/00/36/1064360036.db2.gz TXMAZDNGRRREJM-ZRDIBKRKSA-N 0 0 452.526 4.620 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001434933512 1064360068 /nfs/dbraw/zinc/36/00/68/1064360068.db2.gz RFKPMLMPSUMJOV-OALUTQOASA-N 0 0 451.405 4.860 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001359758168 1064360043 /nfs/dbraw/zinc/36/00/43/1064360043.db2.gz QTBUNMVJGQZAHP-FKBYEOEOSA-N 0 0 487.645 4.683 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001359758167 1064360062 /nfs/dbraw/zinc/36/00/62/1064360062.db2.gz QTBUNMVJGQZAHP-BDTNDASRSA-N 0 0 487.645 4.683 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 ZINC001359758170 1064360082 /nfs/dbraw/zinc/36/00/82/1064360082.db2.gz QTBUNMVJGQZAHP-VSKRKVRLSA-N 0 0 487.645 4.683 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359758939 1064361113 /nfs/dbraw/zinc/36/11/13/1064361113.db2.gz AMLKXORLYCQDOT-VUMVONDWSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001434935840 1064361161 /nfs/dbraw/zinc/36/11/61/1064361161.db2.gz VLNPPDAXSQEIGG-NRFANRHFSA-N 0 0 451.972 4.524 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001434935249 1064361228 /nfs/dbraw/zinc/36/12/28/1064361228.db2.gz OYPBFJSLVJAYDO-WJDWOHSUSA-N 0 0 455.576 4.801 20 0 JJADRN CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434935702 1064361248 /nfs/dbraw/zinc/36/12/48/1064361248.db2.gz COCYFRMVZLKBNO-UHFFFAOYSA-N 0 0 459.515 4.718 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001359759077 1064361238 /nfs/dbraw/zinc/36/12/38/1064361238.db2.gz CLIYGVQITVYYFY-BKSPAHHJSA-N 0 0 470.658 4.688 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359759047 1064361371 /nfs/dbraw/zinc/36/13/71/1064361371.db2.gz BXSPGADDZBTJKG-PFATUAPWSA-N 0 0 497.684 4.570 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359759092 1064362006 /nfs/dbraw/zinc/36/20/06/1064362006.db2.gz CTHDPZMFYUIDLS-YJLYGGOZSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001434935854 1064362100 /nfs/dbraw/zinc/36/21/00/1064362100.db2.gz VLNPPDAXSQEIGG-OAQYLSRUSA-N 0 0 451.972 4.524 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359759118 1064362077 /nfs/dbraw/zinc/36/20/77/1064362077.db2.gz DEIOLUDDYPHLHO-NQIIRXRSSA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759103 1064362132 /nfs/dbraw/zinc/36/21/32/1064362132.db2.gz CWROAPMCVMCUDC-OFNKIYASSA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359759119 1064362149 /nfs/dbraw/zinc/36/21/49/1064362149.db2.gz DEIOLUDDYPHLHO-RXVVDRJESA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCOc1ccccc1F ZINC001359759229 1064362509 /nfs/dbraw/zinc/36/25/09/1064362509.db2.gz FHBQERVOXQBOOJ-AUSIDOKSSA-N 0 0 458.603 4.646 20 0 JJADRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Br)cnc1Br ZINC001434938998 1064362702 /nfs/dbraw/zinc/36/27/02/1064362702.db2.gz OWLKUCXHFIBNJW-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359759411 1064363345 /nfs/dbraw/zinc/36/33/45/1064363345.db2.gz HTGGWKZGMWCJAF-UPVQGACJSA-N 0 0 454.659 4.908 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001434940283 1064363424 /nfs/dbraw/zinc/36/34/24/1064363424.db2.gz OJELMMDXAHAXHF-AWEZNQCLSA-N 0 0 454.361 4.661 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434940070 1064363472 /nfs/dbraw/zinc/36/34/72/1064363472.db2.gz UCTIKSCPSFIPCL-QRFQSNJMSA-N 0 0 451.405 4.534 20 0 JJADRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncc(Br)cc1Br ZINC001434939957 1064363623 /nfs/dbraw/zinc/36/36/23/1064363623.db2.gz SOWBSIRNMIZALL-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359759499 1064364217 /nfs/dbraw/zinc/36/42/17/1064364217.db2.gz IOBVSIAZPQIUEQ-XFAGBWLFSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Cl ZINC001359759713 1064364857 /nfs/dbraw/zinc/36/48/57/1064364857.db2.gz LATAURIQQIEACL-DENIHFKCSA-N 0 0 483.016 4.666 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C ZINC001359759764 1064365559 /nfs/dbraw/zinc/36/55/59/1064365559.db2.gz LLOBOQKLORMVPA-VIZSFHNOSA-N 0 0 456.606 4.875 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001434944286 1064365560 /nfs/dbraw/zinc/36/55/60/1064365560.db2.gz SGRYKCFKWOYYRU-BUHFOSPRSA-N 0 0 452.498 4.779 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1OCC ZINC001434944854 1064365633 /nfs/dbraw/zinc/36/56/33/1064365633.db2.gz VMKSTVRXVKWFEY-UHFFFAOYSA-N 0 0 458.624 4.553 20 0 JJADRN Cc1cn2cc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)ccc2n1 ZINC001434944306 1064365770 /nfs/dbraw/zinc/36/57/70/1064365770.db2.gz MEMCYQBOYWAFEM-UXHICEINSA-N 0 0 454.958 4.885 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359759811 1064366435 /nfs/dbraw/zinc/36/64/35/1064366435.db2.gz LVVQZBBJCZYORC-XJUOHMSHSA-N 0 0 475.678 4.565 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759831 1064366525 /nfs/dbraw/zinc/36/65/25/1064366525.db2.gz LZBADTZRQYGWDI-OFNKIYASSA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccco1 ZINC001359759930 1064367081 /nfs/dbraw/zinc/36/70/81/1064367081.db2.gz MUGLXNZDRDAGBE-DNVCBOLYSA-N 0 0 462.392 4.716 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359760009 1064367120 /nfs/dbraw/zinc/36/71/20/1064367120.db2.gz NSSDNFGQKFDLPY-NFBKMPQASA-N 0 0 484.442 4.724 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359760029 1064367134 /nfs/dbraw/zinc/36/71/34/1064367134.db2.gz NZCBSKOHBXULSI-GHTZIAJQSA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccco1 ZINC001359759931 1064367208 /nfs/dbraw/zinc/36/72/08/1064367208.db2.gz MUGLXNZDRDAGBE-HNAYVOBHSA-N 0 0 462.392 4.716 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F ZINC001359760083 1064367353 /nfs/dbraw/zinc/36/73/53/1064367353.db2.gz OOBYVPIXWZATTO-RDJZCZTQSA-N 0 0 462.463 4.996 20 0 JJADRN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@]1(C)CC1(Br)Br ZINC001434946391 1064367426 /nfs/dbraw/zinc/36/74/26/1064367426.db2.gz WNYQJDARQWNOAE-OAHLLOKOSA-N 0 0 457.191 4.771 20 0 JJADRN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@]1(C)CC1(Br)Br ZINC001434946390 1064367575 /nfs/dbraw/zinc/36/75/75/1064367575.db2.gz WNYQJDARQWNOAE-HNNXBMFYSA-N 0 0 457.191 4.771 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359760226 1064367807 /nfs/dbraw/zinc/36/78/07/1064367807.db2.gz QTAUKBQOYZXRAT-IERDGZPVSA-N 0 0 470.511 4.836 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1 ZINC001359760158 1064367922 /nfs/dbraw/zinc/36/79/22/1064367922.db2.gz QCQLYTPDWRZBKC-FUHWJXTLSA-N 0 0 456.484 4.843 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359760227 1064367945 /nfs/dbraw/zinc/36/79/45/1064367945.db2.gz QTAUKBQOYZXRAT-IIBYNOLFSA-N 0 0 470.511 4.836 20 0 JJADRN Cc1c(C(=O)N(Cc2ccsc2)c2cccnc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001434947497 1064368201 /nfs/dbraw/zinc/36/82/01/1064368201.db2.gz NDRUVOWVAJCKIN-UHFFFAOYSA-N 0 0 457.481 4.957 20 0 JJADRN CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC001434948341 1064368841 /nfs/dbraw/zinc/36/88/41/1064368841.db2.gz BQSUTFJNHDXVKQ-GOSISDBHSA-N 0 0 454.386 4.523 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC001434948298 1064368957 /nfs/dbraw/zinc/36/89/57/1064368957.db2.gz BPIVILONYSGXMK-HRAATJIYSA-N 0 0 458.400 4.686 20 0 JJADRN CC(C)(C)Cc1cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)n(-c2ccccc2)n1 ZINC001434949122 1064369558 /nfs/dbraw/zinc/36/95/58/1064369558.db2.gz DOYXJSAHVWREJG-UHFFFAOYSA-N 0 0 454.521 4.888 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccc(OC)cc3OCC(C)C)ccc21 ZINC001434949210 1064369783 /nfs/dbraw/zinc/36/97/83/1064369783.db2.gz XDNVWGQNGPOVPJ-UHFFFAOYSA-N 0 0 451.567 4.805 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)(C)C ZINC001359760945 1064370992 /nfs/dbraw/zinc/37/09/92/1064370992.db2.gz AVRZGSUWMGGDNF-IIBYNOLFSA-N 0 0 480.028 4.540 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001434950573 1064371139 /nfs/dbraw/zinc/37/11/39/1064371139.db2.gz XFRVVPDGHNBRLQ-XAYULXIRSA-N 0 0 458.961 4.801 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC001434950294 1064371215 /nfs/dbraw/zinc/37/12/15/1064371215.db2.gz QPJNZCMTHVVDQZ-AWEZNQCLSA-N 0 0 451.336 4.778 20 0 JJADRN CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC001434950828 1064371977 /nfs/dbraw/zinc/37/19/77/1064371977.db2.gz OUTPAKSQXWCCLG-JOCHJYFZSA-N 0 0 458.606 4.881 20 0 JJADRN CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950704 1064372167 /nfs/dbraw/zinc/37/21/67/1064372167.db2.gz VPSANCOGDMLVAV-QTEQDKRBSA-N 0 0 455.549 4.982 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359761483 1064372418 /nfs/dbraw/zinc/37/24/18/1064372418.db2.gz IDBNMSRUJIKSGO-SFLYRZDNSA-N 0 0 458.622 4.711 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001359761555 1064372456 /nfs/dbraw/zinc/37/24/56/1064372456.db2.gz IRZNOYLKWZATET-OZXSUGGESA-N 0 0 483.701 4.519 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC001434950983 1064372843 /nfs/dbraw/zinc/37/28/43/1064372843.db2.gz ZCUMLNKHTNAOAO-UHFFFAOYSA-N 0 0 451.571 4.853 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761663 1064373069 /nfs/dbraw/zinc/37/30/69/1064373069.db2.gz KEUUUCNKMNRQKS-RXVVDRJESA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359761928 1064373633 /nfs/dbraw/zinc/37/36/33/1064373633.db2.gz NRRBUJJJBNWKBO-VWPQPMDRSA-N 0 0 478.584 4.861 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1 ZINC001359761786 1064373843 /nfs/dbraw/zinc/37/38/43/1064373843.db2.gz MDWQWILEEDQCSN-GGAORHGYSA-N 0 0 474.671 4.570 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001359762035 1064374424 /nfs/dbraw/zinc/37/44/24/1064374424.db2.gz PCFXVXOLSYYJDT-GMAHTHKFSA-N 0 0 490.714 4.565 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(Cl)c4ncccc34)CC2=O)ccc1Br ZINC001434958212 1064374894 /nfs/dbraw/zinc/37/48/94/1064374894.db2.gz GGYHUHGZFNFUGH-ZDUSSCGKSA-N 0 0 458.743 4.951 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC[C@H]3CCCC[C@@H]3C)nnc2-c2ccco2)cc1 ZINC001434959371 1064374959 /nfs/dbraw/zinc/37/49/59/1064374959.db2.gz VLUYFGQRHRBVHR-ZWKOTPCHSA-N 0 0 454.596 4.961 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359762313 1064375064 /nfs/dbraw/zinc/37/50/64/1064375064.db2.gz SSUCYNXTVZJXJG-SIKLNZKXSA-N 0 0 477.694 4.811 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nccs1 ZINC001359762423 1064375081 /nfs/dbraw/zinc/37/50/81/1064375081.db2.gz UOSRKTUPEPYYDX-AOMKIAJQSA-N 0 0 461.582 4.691 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)c3ncccc23)c1 ZINC001434959011 1064375089 /nfs/dbraw/zinc/37/50/89/1064375089.db2.gz ORXGBFQMLLZQDB-HXUWFJFHSA-N 0 0 455.942 4.971 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359762277 1064375174 /nfs/dbraw/zinc/37/51/74/1064375174.db2.gz SIRURXVTAORNQA-SJBKTWHCSA-N 0 0 477.694 4.764 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCOC1 ZINC001359762526 1064375955 /nfs/dbraw/zinc/37/59/55/1064375955.db2.gz VZKIVEKDZFKRAB-FVJLSDCUSA-N 0 0 495.437 4.771 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCOC1 ZINC001359762580 1064375969 /nfs/dbraw/zinc/37/59/69/1064375969.db2.gz WVNBVFOILPCBDV-WFXMLNOXSA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359762734 1064376566 /nfs/dbraw/zinc/37/65/66/1064376566.db2.gz YTWHTOZIZRNFJR-SNRMKQJTSA-N 0 0 472.939 4.817 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC001434962013 1064377199 /nfs/dbraw/zinc/37/71/99/1064377199.db2.gz IZGZNEZFCCLLFY-JOCHJYFZSA-N 0 0 456.876 4.984 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001359762891 1064377204 /nfs/dbraw/zinc/37/72/04/1064377204.db2.gz AGDAQAVSBLMSOE-GOSISDBHSA-N 0 0 456.541 4.788 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001359762875 1064377282 /nfs/dbraw/zinc/37/72/82/1064377282.db2.gz ZZTGOMWBPATIBE-DYESRHJHSA-N 0 0 495.437 4.507 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001359763231 1064378796 /nfs/dbraw/zinc/37/87/96/1064378796.db2.gz HRNDJPRIQUEYJX-JLLPCOHGSA-N 0 0 476.706 4.637 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCOC1 ZINC001359763314 1064379431 /nfs/dbraw/zinc/37/94/31/1064379431.db2.gz IMLYFMZYHDAXCP-LFAGZIFBSA-N 0 0 470.658 4.831 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763394 1064379667 /nfs/dbraw/zinc/37/96/67/1064379667.db2.gz JHPRYPMXIPULRE-XXBNENTESA-N 0 0 474.621 4.841 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC001434965619 1064380445 /nfs/dbraw/zinc/38/04/45/1064380445.db2.gz AXBIAMLGDURWPE-UHFFFAOYSA-N 0 0 451.542 4.802 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C1CCCCC1 ZINC001434965558 1064380583 /nfs/dbraw/zinc/38/05/83/1064380583.db2.gz CMHRFSBEULTIJN-JOCHJYFZSA-N 0 0 458.624 4.605 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001359763752 1064380959 /nfs/dbraw/zinc/38/09/59/1064380959.db2.gz PRUIOSZDAGOIER-FYYLOGMGSA-N 0 0 473.706 4.692 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359763762 1064381029 /nfs/dbraw/zinc/38/10/29/1064381029.db2.gz PTBSOJGDNPADHV-SFLYRZDNSA-N 0 0 493.618 4.587 20 0 JJADRN CC(=O)N[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)c1cccc(Br)c1 ZINC001434966153 1064381431 /nfs/dbraw/zinc/38/14/31/1064381431.db2.gz WRMVCXKBHOCYCS-HSZRJFAPSA-N 0 0 451.364 4.952 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001359763957 1064381646 /nfs/dbraw/zinc/38/16/46/1064381646.db2.gz SRSCCVGUDNWAJY-CMOCDZPBSA-N 0 0 489.705 4.863 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001359763959 1064381814 /nfs/dbraw/zinc/38/18/14/1064381814.db2.gz SRSCCVGUDNWAJY-LRSLUSHPSA-N 0 0 489.705 4.863 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(C)(C)c2cccc(Br)c2)cs1 ZINC001434966409 1064382123 /nfs/dbraw/zinc/38/21/23/1064382123.db2.gz PESLUFNNQQCLFQ-UHFFFAOYSA-N 0 0 452.418 4.527 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001359764038 1064382360 /nfs/dbraw/zinc/38/23/60/1064382360.db2.gz UDOOSKCSTGAIAB-APTRMMRNSA-N 0 0 477.049 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC001434966745 1064382817 /nfs/dbraw/zinc/38/28/17/1064382817.db2.gz CNWBRSJHUCTXNK-RRQGHBQHSA-N 0 0 478.412 4.690 20 0 JJADRN O=C(CNC(=O)c1ccccc1Oc1cccc(Br)c1)N1CCc2ccccc21 ZINC001434969013 1064384177 /nfs/dbraw/zinc/38/41/77/1064384177.db2.gz SLBBJEDHBWCKOE-UHFFFAOYSA-N 0 0 451.320 4.561 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC001359764549 1064384622 /nfs/dbraw/zinc/38/46/22/1064384622.db2.gz DIARLRUPYIIUOC-YLJYHZDGSA-N 0 0 481.563 4.666 20 0 JJADRN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001434969769 1064385040 /nfs/dbraw/zinc/38/50/40/1064385040.db2.gz BHBXOERZSBSOFU-PKOBYXMFSA-N 0 0 455.396 4.723 20 0 JJADRN C[C@@H](NC(=O)CCc1cc(Br)ccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434969141 1064385073 /nfs/dbraw/zinc/38/50/73/1064385073.db2.gz SVJSRHWYCSNVQU-GDBMZVCRSA-N 0 0 457.384 4.673 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1nc(-c2ccncc2)no1 ZINC001434971758 1064386549 /nfs/dbraw/zinc/38/65/49/1064386549.db2.gz MFHLFDHYKFPQDU-HNNXBMFYSA-N 0 0 453.699 4.814 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CCC[C@H]3C(C)C)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001359765245 1064386828 /nfs/dbraw/zinc/38/68/28/1064386828.db2.gz SQGMFROUFZWBIX-CUBQBAPOSA-N 0 0 497.684 4.976 20 0 JJADRN CC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)c1ccc(C)cc1 ZINC001434973271 1064387958 /nfs/dbraw/zinc/38/79/58/1064387958.db2.gz IFCPJUODCARALS-IRLDBZIGSA-N 0 0 456.384 4.554 20 0 JJADRN Cc1ccc(CC(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC001434973695 1064388023 /nfs/dbraw/zinc/38/80/23/1064388023.db2.gz KDIKCIAWIUHANS-QFIPXVFZSA-N 0 0 452.551 4.733 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)c2nccs2)c1 ZINC001359765568 1064388202 /nfs/dbraw/zinc/38/82/02/1064388202.db2.gz YQTKPXCAXWSLFC-FPOVZHCZSA-N 0 0 496.681 4.901 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)c2nccs2)c1 ZINC001359765570 1064388228 /nfs/dbraw/zinc/38/82/28/1064388228.db2.gz YQTKPXCAXWSLFC-TZIWHRDSSA-N 0 0 496.681 4.901 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N[C@H](CC3CCCCC3)c3ccccc3)CC2=O)c1 ZINC001434974537 1064389416 /nfs/dbraw/zinc/38/94/16/1064389416.db2.gz JBKUYIPRBDBBOK-SQJMNOBHSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434974911 1064389673 /nfs/dbraw/zinc/38/96/73/1064389673.db2.gz HERZZGDABGJOTR-AWEZNQCLSA-N 0 0 451.539 4.774 20 0 JJADRN CSc1cc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccc1F ZINC001434974675 1064389744 /nfs/dbraw/zinc/38/97/44/1064389744.db2.gz GQTKDFRWVZIMDU-UHFFFAOYSA-N 0 0 451.361 4.801 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001434976712 1064392652 /nfs/dbraw/zinc/39/26/52/1064392652.db2.gz VSQIFHOCJOYNJG-PGRDOPGGSA-N 0 0 451.567 4.585 20 0 JJADRN COCc1c(Br)cccc1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001434977494 1064393703 /nfs/dbraw/zinc/39/37/03/1064393703.db2.gz OHUUFFINFDYVPR-GFCCVEGCSA-N 0 0 455.146 4.863 20 0 JJADRN O=C(NCCCNC(=O)c1cccc(Oc2ccccc2)c1)c1cccc(Br)c1 ZINC001434978476 1064394692 /nfs/dbraw/zinc/39/46/92/1064394692.db2.gz RLZDJVGANIOUQG-UHFFFAOYSA-N 0 0 453.336 4.791 20 0 JJADRN CCCCNC(=O)C1(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CCCCC1 ZINC001434979689 1064395256 /nfs/dbraw/zinc/39/52/56/1064395256.db2.gz VUFPAFAODKTLFE-UHFFFAOYSA-N 0 0 456.587 4.884 20 0 JJADRN COCc1c(Br)cccc1NC(=O)COCCc1ccc(Br)cc1 ZINC001434980080 1064396248 /nfs/dbraw/zinc/39/62/48/1064396248.db2.gz ZFWLNTZIPXKTTG-UHFFFAOYSA-N 0 0 457.162 4.556 20 0 JJADRN C[C@@]1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCc2ccccc2C1 ZINC001434980056 1064396392 /nfs/dbraw/zinc/39/63/92/1064396392.db2.gz ZCCJEKPCZVKLKN-XMMPIXPASA-N 0 0 455.396 4.821 20 0 JJADRN O=C(CC1CCCCC1)N1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC001434979844 1064396436 /nfs/dbraw/zinc/39/64/36/1064396436.db2.gz WSJFLYCEOAUIOP-UHFFFAOYSA-N 0 0 452.517 4.648 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)ccc1Cl ZINC001434981735 1064397964 /nfs/dbraw/zinc/39/79/64/1064397964.db2.gz JVZHXGWUEKWCBZ-UHFFFAOYSA-N 0 0 455.407 4.833 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)COc3ccc(C(F)(F)F)cc3)s2)c1 ZINC001434981881 1064398082 /nfs/dbraw/zinc/39/80/82/1064398082.db2.gz KFNLZQWXURHFAV-UHFFFAOYSA-N 0 0 450.438 4.557 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)NCc2cc(Br)ccc2OC(F)F)c(C)n1 ZINC001434982716 1064399350 /nfs/dbraw/zinc/39/93/50/1064399350.db2.gz AOVDGSQIOAOPEX-LLVKDONJSA-N 0 0 456.331 4.830 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001434982950 1064399447 /nfs/dbraw/zinc/39/94/47/1064399447.db2.gz CTGPBQZCVWCLEB-CYBMUJFWSA-N 0 0 457.290 4.710 20 0 JJADRN Cc1cc(C(=O)Nc2cc(F)c(I)c(F)c2)ccc1Br ZINC001434985892 1064402145 /nfs/dbraw/zinc/40/21/45/1064402145.db2.gz ALIWSXAXBNDPMC-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C(F)(F)F)c1 ZINC001434986224 1064402689 /nfs/dbraw/zinc/40/26/89/1064402689.db2.gz HYXUPXVZUKAKKS-HNNXBMFYSA-N 0 0 454.876 4.815 20 0 JJADRN Cc1c(Br)cccc1NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001434988556 1064404414 /nfs/dbraw/zinc/40/44/14/1064404414.db2.gz JZIIKTHVDWDPCT-QGZVFWFLSA-N 0 0 451.283 4.886 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1cc(F)c(I)c(F)c1 ZINC001434990031 1064405178 /nfs/dbraw/zinc/40/51/78/1064405178.db2.gz OLKAZJGAHKBYRD-UHFFFAOYSA-N 0 0 458.065 4.575 20 0 JJADRN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)[C@H](c1ccccc1)N1CCSCC1 ZINC001434990241 1064406323 /nfs/dbraw/zinc/40/63/23/1064406323.db2.gz CCBQBDFPYYMSEI-QFIPXVFZSA-N 0 0 458.027 4.695 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC001434991568 1064406807 /nfs/dbraw/zinc/40/68/07/1064406807.db2.gz ZZCKLJINQZTTNQ-UGKGYDQZSA-N 0 0 452.570 4.527 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3CSC[C@H]3c3ccccc3)cc2)cc1 ZINC001434991272 1064406932 /nfs/dbraw/zinc/40/69/32/1064406932.db2.gz GOSMQZSEWMAGBH-XZOQPEGZSA-N 0 0 453.585 4.968 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001359773207 1064410929 /nfs/dbraw/zinc/41/09/29/1064410929.db2.gz HTXXOUQVJHGZSN-QGZVFWFLSA-N 0 0 483.966 4.930 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001434995912 1064410694 /nfs/dbraw/zinc/41/06/94/1064410694.db2.gz IGRFKZRIGHSWIO-YCWMGOOZSA-N 0 0 461.322 4.817 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)[C@@]3(COC)CCCCN3C(=O)OC(C)(C)C)sc2C1 ZINC001434996381 1064411641 /nfs/dbraw/zinc/41/16/41/1064411641.db2.gz JTAUSLVTVMUFFE-MWTRTKDXSA-N 0 0 451.633 4.793 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3C)cs2)cc1 ZINC001434997023 1064412801 /nfs/dbraw/zinc/41/28/01/1064412801.db2.gz MLZVVFDAQQJZPG-UHFFFAOYSA-N 0 0 451.617 4.792 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001359773980 1064413511 /nfs/dbraw/zinc/41/35/11/1064413511.db2.gz FJIUNTQMKPCSOY-FQEVSTJZSA-N 0 0 457.688 4.888 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001359774180 1064414719 /nfs/dbraw/zinc/41/47/19/1064414719.db2.gz KSPFRVXNJFHIHW-JOCHJYFZSA-N 0 0 461.050 4.979 20 0 JJADRN C[C@@H]1Cc2cc(C(=O)Nc3cccc(C(=O)Nc4ccc(Br)cn4)c3)ccc2O1 ZINC001435000538 1064415214 /nfs/dbraw/zinc/41/52/14/1064415214.db2.gz GRJNGHUSDDZKTC-CYBMUJFWSA-N 0 0 452.308 4.672 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1Br ZINC001435001238 1064415361 /nfs/dbraw/zinc/41/53/61/1064415361.db2.gz MBWYOWZNXRABPU-SFHVURJKSA-N 0 0 455.805 4.982 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)Oc2ccccc2Oc2ccccn2)=NN1c1ccccc1 ZINC001435001249 1064415414 /nfs/dbraw/zinc/41/54/14/1064415414.db2.gz ZFGBNWBZQSXHMR-FQEVSTJZSA-N 0 0 459.502 4.756 20 0 JJADRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC001435001575 1064416455 /nfs/dbraw/zinc/41/64/55/1064416455.db2.gz QPIPEKCNGLUZCX-GCJKJVERSA-N 0 0 454.299 4.920 20 0 JJADRN C[C@H]1Cc2cc(C(=O)NCC3(c4ccc(C(C)(C)C)cc4)CCC3)ccc2N1S(C)(=O)=O ZINC001435002121 1064417129 /nfs/dbraw/zinc/41/71/29/1064417129.db2.gz GSEGZTIQNMGISG-SFHVURJKSA-N 0 0 454.636 4.546 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359775214 1064417220 /nfs/dbraw/zinc/41/72/20/1064417220.db2.gz KWYAHDQGUWOUKV-LWYYNNOASA-N 0 0 457.619 4.770 20 0 JJADRN CC(C)CC1(Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001359775419 1064418043 /nfs/dbraw/zinc/41/80/43/1064418043.db2.gz PIFLKIQKKCFSRZ-HXUWFJFHSA-N 0 0 461.651 4.792 20 0 JJADRN O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2cccc(Oc3ccccn3)c2)c1 ZINC001435003098 1064418076 /nfs/dbraw/zinc/41/80/76/1064418076.db2.gz BSTJVWDSXTWXLI-UHFFFAOYSA-N 0 0 453.502 4.521 20 0 JJADRN CC(C)C[C@@H](NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435002369 1064418089 /nfs/dbraw/zinc/41/80/89/1064418089.db2.gz PNYYFSZPLXONQV-RBUKOAKNSA-N 0 0 458.521 4.935 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001435003570 1064418610 /nfs/dbraw/zinc/41/86/10/1064418610.db2.gz GTUFGKGZXJWXLH-OAQYLSRUSA-N 0 0 452.595 4.534 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)CCCc3ccc(Br)cc3)cn2)c1 ZINC001435003779 1064418625 /nfs/dbraw/zinc/41/86/25/1064418625.db2.gz KVDRPLYSNRTZGZ-UHFFFAOYSA-N 0 0 454.324 4.697 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCC3(CC2)OCCO3)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359776983 1064419740 /nfs/dbraw/zinc/41/97/40/1064419740.db2.gz YIJVMIFTGCPQTR-UHFFFAOYSA-N 0 0 499.656 4.994 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)C1 ZINC001435004787 1064419717 /nfs/dbraw/zinc/41/97/17/1064419717.db2.gz KRGPGPRWICAFKJ-MRXNPFEDSA-N 0 0 456.892 4.920 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)C3(c4ccc(C)c(C)c4)CCOCC3)c2)cn1 ZINC001435004567 1064419723 /nfs/dbraw/zinc/41/97/23/1064419723.db2.gz SFLIARHZBKIUFL-UHFFFAOYSA-N 0 0 459.546 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)ccc21 ZINC001435004275 1064419745 /nfs/dbraw/zinc/41/97/45/1064419745.db2.gz GZVXQVDOWWSAMB-QGZVFWFLSA-N 0 0 453.514 4.505 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H]1CCc2nccn2C1 ZINC001359776942 1064419824 /nfs/dbraw/zinc/41/98/24/1064419824.db2.gz WYMBVCQJMPBABS-FXAWDEMLSA-N 0 0 489.437 4.845 20 0 JJADRN COc1ccc(C(=O)N(C(C)C)C2CCCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001435005240 1064420412 /nfs/dbraw/zinc/42/04/12/1064420412.db2.gz QLDWAJFBTAVSMB-RXVVDRJESA-N 0 0 450.645 4.736 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359777316 1064420517 /nfs/dbraw/zinc/42/05/17/1064420517.db2.gz GQUNORVNQRIHBC-HXUWFJFHSA-N 0 0 476.547 4.713 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359777315 1064420591 /nfs/dbraw/zinc/42/05/91/1064420591.db2.gz GQUNORVNQRIHBC-FQEVSTJZSA-N 0 0 476.547 4.713 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(c4c(F)cccc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435006288 1064422102 /nfs/dbraw/zinc/42/21/02/1064422102.db2.gz JMRYLFTUOHVIQO-CYFREDJKSA-N 0 0 456.533 4.511 20 0 JJADRN CC(C)Cn1ccc2c1cccc2C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC001435006356 1064422110 /nfs/dbraw/zinc/42/21/10/1064422110.db2.gz KPJVTQYKOIIEQV-UHFFFAOYSA-N 0 0 456.384 4.610 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(OCC2CC2)nc1 ZINC001359778102 1064422982 /nfs/dbraw/zinc/42/29/82/1064422982.db2.gz YWIJLBLZWVTQTP-UHFFFAOYSA-N 0 0 498.672 4.544 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC001435008177 1064423642 /nfs/dbraw/zinc/42/36/42/1064423642.db2.gz DZGPTSZBHFACQL-UHFFFAOYSA-N 0 0 450.440 4.617 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)c1ccc(SC)cc1 ZINC001435008073 1064423659 /nfs/dbraw/zinc/42/36/59/1064423659.db2.gz IQQUANSTIRSBKX-JOCHJYFZSA-N 0 0 452.532 4.639 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1C[C@@H]1CCCc2cccnc21 ZINC001359778573 1064423622 /nfs/dbraw/zinc/42/36/22/1064423622.db2.gz MVGURGPBUGCHOI-QPPBQGQZSA-N 0 0 474.653 4.648 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359778279 1064423789 /nfs/dbraw/zinc/42/37/89/1064423789.db2.gz DNURKYVKPMDSQI-VIICAESSSA-N 0 0 483.701 4.974 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359778992 1064424654 /nfs/dbraw/zinc/42/46/54/1064424654.db2.gz ZDSLNEQISZPYOF-UHFFFAOYSA-N 0 0 493.052 4.508 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1OC ZINC001435010523 1064425266 /nfs/dbraw/zinc/42/52/66/1064425266.db2.gz FUXXMFVTBLNQCS-UHFFFAOYSA-N 0 0 454.733 4.891 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1Cc1nc(C)c(C)s1 ZINC001545888141 1064425298 /nfs/dbraw/zinc/42/52/98/1064425298.db2.gz AHUPCUSXMWSONO-SFHVURJKSA-N 0 0 472.684 4.893 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(SC)cc1 ZINC001435010089 1064425371 /nfs/dbraw/zinc/42/53/71/1064425371.db2.gz YSMXDHYEOOOPKO-GOSISDBHSA-N 0 0 459.365 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC001435010872 1064425947 /nfs/dbraw/zinc/42/59/47/1064425947.db2.gz PXKBHAQAJSDEDN-SFTDATJTSA-N 0 0 451.007 4.584 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001359779615 1064426036 /nfs/dbraw/zinc/42/60/36/1064426036.db2.gz RUMOTGYGXCXIMJ-UHFFFAOYSA-N 0 0 467.017 4.948 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H](C)c2ccccc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001359779642 1064426042 /nfs/dbraw/zinc/42/60/42/1064426042.db2.gz SSWUSMOUDWAOED-BIHRQFPBSA-N 0 0 497.684 4.741 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)n1 ZINC001435011695 1064427120 /nfs/dbraw/zinc/42/71/20/1064427120.db2.gz BWZAPFWABVXRJH-UHFFFAOYSA-N 0 0 451.571 4.881 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001359779945 1064428060 /nfs/dbraw/zinc/42/80/60/1064428060.db2.gz DUJYZDAIQGKRMC-TZIWHRDSSA-N 0 0 451.409 4.674 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001359779943 1064428078 /nfs/dbraw/zinc/42/80/78/1064428078.db2.gz DUJYZDAIQGKRMC-FPOVZHCZSA-N 0 0 451.409 4.674 20 0 JJADRN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(Br)ccc2Sc2nncn2C)CCO1 ZINC001435012471 1064428760 /nfs/dbraw/zinc/42/87/60/1064428760.db2.gz CKAJCNCRHKCFJF-BBRMVZONSA-N 0 0 453.406 4.509 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359780356 1064429691 /nfs/dbraw/zinc/42/96/91/1064429691.db2.gz SIYHBFODHGOEFL-MGBGTMOVSA-N 0 0 479.572 4.507 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359780317 1064429701 /nfs/dbraw/zinc/42/97/01/1064429701.db2.gz RDICJKONCKUVFE-UHFFFAOYSA-N 0 0 458.891 4.706 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1CCc1ccc(F)c(F)c1 ZINC001359780335 1064429772 /nfs/dbraw/zinc/42/97/72/1064429772.db2.gz ROEJULYGRTXNLO-UHFFFAOYSA-N 0 0 453.331 4.989 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc3cnccc3c2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359780623 1064430396 /nfs/dbraw/zinc/43/03/96/1064430396.db2.gz CLDAOJMRWRBVOA-LJQANCHMSA-N 0 0 466.630 4.822 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(Br)c(I)c2)CCc2ccccc21 ZINC001435013631 1064430440 /nfs/dbraw/zinc/43/04/40/1064430440.db2.gz AYJYOVLMNGCADM-QGZVFWFLSA-N 0 0 456.121 4.896 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359780982 1064431570 /nfs/dbraw/zinc/43/15/70/1064431570.db2.gz PKITZMLOUJGCHY-NRFANRHFSA-N 0 0 484.689 4.969 20 0 JJADRN COC1CCC(CC(=O)Nc2ccc(Br)c(I)c2)CC1 ZINC001435014725 1064431713 /nfs/dbraw/zinc/43/17/13/1064431713.db2.gz GXGWIBZCXYKJPC-UHFFFAOYSA-N 0 0 452.130 4.588 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCc1ccccc1OC(F)F ZINC001359781479 1064432341 /nfs/dbraw/zinc/43/23/41/1064432341.db2.gz JGPFXEQFRVPMCI-UHFFFAOYSA-N 0 0 486.489 4.709 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)c3cc4ncc(Br)cn4n3)cc2)cc1 ZINC001435015408 1064432389 /nfs/dbraw/zinc/43/23/89/1064432389.db2.gz UVPSLOMBUAXWOX-UHFFFAOYSA-N 0 0 455.337 4.904 20 0 JJADRN COc1cccc2cc(CNC(=O)Cc3ccc(Br)c(Br)c3)oc21 ZINC001435015272 1064432573 /nfs/dbraw/zinc/43/25/73/1064432573.db2.gz UZOHRRQYSGOCMN-UHFFFAOYSA-N 0 0 453.130 4.825 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 ZINC001435015810 1064433417 /nfs/dbraw/zinc/43/34/17/1064433417.db2.gz BYSKLPMPIDKUIH-UHFFFAOYSA-N 0 0 451.972 4.622 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC001435016937 1064433588 /nfs/dbraw/zinc/43/35/88/1064433588.db2.gz HHSFTKAONGUYGB-DLBZAZTESA-N 0 0 456.505 4.627 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCc1cccs1 ZINC001545888186 1064434219 /nfs/dbraw/zinc/43/42/19/1064434219.db2.gz BLEKDGLNDKHGLO-HNNXBMFYSA-N 0 0 473.593 4.903 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Br)ccc3Cl)CCC(=O)N2C)cc1 ZINC001435017250 1064434365 /nfs/dbraw/zinc/43/43/65/1064434365.db2.gz ZROCHQNBRUZQIX-HNAYVOBHSA-N 0 0 451.748 4.659 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCc1ccc(Cl)s1 ZINC001545888180 1064434446 /nfs/dbraw/zinc/43/44/46/1064434446.db2.gz BIPGSZOLOXBLFP-UHFFFAOYSA-N 0 0 493.464 4.765 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001435019895 1064435828 /nfs/dbraw/zinc/43/58/28/1064435828.db2.gz SECSMGIXNWMTBR-YOEHRIQHSA-N 0 0 457.344 4.883 20 0 JJADRN COc1ccc(C(=O)C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1Cl ZINC001435020252 1064437074 /nfs/dbraw/zinc/43/70/74/1064437074.db2.gz CYQNOHGSJDBRFW-HXUWFJFHSA-N 0 0 453.922 4.649 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)Cc1cccc(Cl)c1F)CCC2 ZINC001435020449 1064437730 /nfs/dbraw/zinc/43/77/30/1064437730.db2.gz FQIDQUHESZRQCL-UHFFFAOYSA-N 0 0 457.885 4.960 20 0 JJADRN CC(C)Cc1nnc(N(C)CCCc2ccccn2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359784523 1064437770 /nfs/dbraw/zinc/43/77/70/1064437770.db2.gz FHWNOXHBBLSCRO-NRFANRHFSA-N 0 0 470.662 4.588 20 0 JJADRN CC(C)Cc1nnc(N(C)CCCOc2ccccc2)n1C[C@@]1(C)OCCc2sccc21 ZINC001359784835 1064437874 /nfs/dbraw/zinc/43/78/74/1064437874.db2.gz PKUGUVRTWCCFME-RUZDIDTESA-N 0 0 454.640 4.932 20 0 JJADRN COc1nc(C)cc(C)c1CNC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC001435021005 1064438695 /nfs/dbraw/zinc/43/86/95/1064438695.db2.gz PDMMVILZPNHHDE-UHFFFAOYSA-N 0 0 458.356 4.682 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001435023817 1064441397 /nfs/dbraw/zinc/44/13/97/1064441397.db2.gz HXQVQHXTZGYQJA-UHFFFAOYSA-N 0 0 459.933 4.872 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1C[C@](C)(O)c1ccsc1 ZINC001359786842 1064441504 /nfs/dbraw/zinc/44/15/04/1064441504.db2.gz KUURKMMAHOAVFI-XXBNENTESA-N 0 0 460.669 4.693 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359786863 1064441508 /nfs/dbraw/zinc/44/15/08/1064441508.db2.gz LLZIBNVQCXAIFJ-GGAORHGYSA-N 0 0 485.673 4.918 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccnn2C)C2CC2)n1CCc1cc(Br)ccc1F ZINC001359786990 1064441663 /nfs/dbraw/zinc/44/16/63/1064441663.db2.gz PZVJZQYDLBYINF-UHFFFAOYSA-N 0 0 475.410 4.523 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001435024591 1064442076 /nfs/dbraw/zinc/44/20/76/1064442076.db2.gz CNWUJARTPIAFMJ-UHFFFAOYSA-N 0 0 454.855 4.669 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@H]4CCC[C@@H]4CCC(C)C)cnc32)c(OC)c1 ZINC001435024594 1064442163 /nfs/dbraw/zinc/44/21/63/1064442163.db2.gz LCEOAOJVZINTSU-JPYJTQIMSA-N 0 0 450.583 4.832 20 0 JJADRN COc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1Br ZINC001435025252 1064443028 /nfs/dbraw/zinc/44/30/28/1064443028.db2.gz SONBHQNOCMNNCU-UHFFFAOYSA-N 0 0 454.320 4.745 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c1 ZINC001435025138 1064443229 /nfs/dbraw/zinc/44/32/29/1064443229.db2.gz HMMQWAALNVOPPO-BENRWUELSA-N 0 0 458.470 4.854 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1OCc1ccc2ccccc2n1 ZINC001435026183 1064443857 /nfs/dbraw/zinc/44/38/57/1064443857.db2.gz QKJJRSLLGPUBJX-KRWDZBQOSA-N 0 0 459.468 4.645 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359788554 1064443924 /nfs/dbraw/zinc/44/39/24/1064443924.db2.gz FUFMANOSMSUYJY-FUDKSRODSA-N 0 0 485.673 4.994 20 0 JJADRN CC1=C(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)[C@H](C)n2ncnc2N1C ZINC001435026477 1064444704 /nfs/dbraw/zinc/44/47/04/1064444704.db2.gz YBRZZFMXFKKCOO-HNNXBMFYSA-N 0 0 457.456 4.799 20 0 JJADRN O=C(c1cn2c(Br)cnc2s1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001435026608 1064444726 /nfs/dbraw/zinc/44/47/26/1064444726.db2.gz ZNJFBWPAAZVHAI-UHFFFAOYSA-N 0 0 459.344 4.578 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1csc(-c2ccco2)n1 ZINC001359789378 1064445399 /nfs/dbraw/zinc/44/53/99/1064445399.db2.gz NWKHIWBWRNWUHD-AEFFLSMTSA-N 0 0 486.642 4.591 20 0 JJADRN CCc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1S(C)(=O)=O ZINC001435027416 1064445535 /nfs/dbraw/zinc/44/55/35/1064445535.db2.gz BSQYEJWCFBKHNK-UHFFFAOYSA-N 0 0 452.504 4.630 20 0 JJADRN O=C(C[C@@H]1OCc2ccccc21)Nc1cc(I)ccc1Br ZINC001435028299 1064445586 /nfs/dbraw/zinc/44/55/86/1064445586.db2.gz INWTUZGRCYWXJI-HNNXBMFYSA-N 0 0 458.093 4.654 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)OCc1nc(-c2ccccc2)no1 ZINC001435028772 1064445598 /nfs/dbraw/zinc/44/55/98/1064445598.db2.gz VYQJBQJCFXNGNX-UHFFFAOYSA-N 0 0 452.102 4.548 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1F ZINC001359789302 1064445611 /nfs/dbraw/zinc/44/56/11/1064445611.db2.gz MXXWBVIHCXBKCK-DNVCBOLYSA-N 0 0 466.001 4.667 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c1Cl ZINC001359789830 1064446308 /nfs/dbraw/zinc/44/63/08/1064446308.db2.gz LPRXQQOVPGBZEN-CQSZACIVSA-N 0 0 458.407 4.510 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001435029410 1064446414 /nfs/dbraw/zinc/44/64/14/1064446414.db2.gz OMGSKXVDAAOUBN-UHFFFAOYSA-N 0 0 458.396 4.915 20 0 JJADRN Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cn2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001435028854 1064446464 /nfs/dbraw/zinc/44/64/64/1064446464.db2.gz YEEJFHALDUVNDC-UHFFFAOYSA-N 0 0 453.424 4.821 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001359790602 1064447261 /nfs/dbraw/zinc/44/72/61/1064447261.db2.gz SECZFYUTPWXVAM-UHFFFAOYSA-N 0 0 458.649 4.696 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)[C@H](CC(C)C)c3ccc(Cl)cc3)cn2)cc1 ZINC001435029760 1064447347 /nfs/dbraw/zinc/44/73/47/1064447347.db2.gz AUMAKLCGTFJVCB-JOCHJYFZSA-N 0 0 454.958 4.952 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)oc21 ZINC001435029994 1064447379 /nfs/dbraw/zinc/44/73/79/1064447379.db2.gz HTVXPQFVFUIVBT-UHFFFAOYSA-N 0 0 454.280 4.709 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc1 ZINC001435029747 1064447398 /nfs/dbraw/zinc/44/73/98/1064447398.db2.gz IFPOLPVFIYWVJK-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001359791232 1064448205 /nfs/dbraw/zinc/44/82/05/1064448205.db2.gz APUSYCSRQAXBOY-HKUYNNGSSA-N 0 0 457.420 4.518 20 0 JJADRN Cc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n(-c2nc(C)cc(C)n2)n1 ZINC001435031982 1064449339 /nfs/dbraw/zinc/44/93/39/1064449339.db2.gz LEHJZJRASMHXKL-UHFFFAOYSA-N 0 0 456.337 4.641 20 0 JJADRN COc1ccc([C@H](C)CC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)cc1 ZINC001435031508 1064449385 /nfs/dbraw/zinc/44/93/85/1064449385.db2.gz IUXROUFWEGCSJR-LJQANCHMSA-N 0 0 458.558 4.968 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359792135 1064449305 /nfs/dbraw/zinc/44/93/05/1064449305.db2.gz HWFGLAPXPJQOBN-AZUAARDMSA-N 0 0 493.599 4.603 20 0 JJADRN CCN(C(=O)c1c(C)nn(C2CCOCC2)c1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034167 1064451016 /nfs/dbraw/zinc/45/10/16/1064451016.db2.gz GCCAPABODVXYOT-DEOSSOPVSA-N 0 0 454.521 4.776 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359792851 1064451144 /nfs/dbraw/zinc/45/11/44/1064451144.db2.gz POBRFBWFHBKGEK-RTBURBONSA-N 0 0 457.619 4.520 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2cc(F)c(Br)c(Cl)c2)n(-c2ncccn2)n1 ZINC001435037483 1064452384 /nfs/dbraw/zinc/45/23/84/1064452384.db2.gz GSKJGDCQHMEKRL-UHFFFAOYSA-N 0 0 452.715 4.767 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359794348 1064452421 /nfs/dbraw/zinc/45/24/21/1064452421.db2.gz WDFFXJXGDSBJTO-HOCLYGCPSA-N 0 0 459.582 4.629 20 0 JJADRN CN(C(=O)c1cnc(Br)c(Br)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC001359795143 1064453632 /nfs/dbraw/zinc/45/36/32/1064453632.db2.gz HZXBIZUGCNCTHE-LBPRGKRZSA-N 0 0 452.068 4.982 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC001435038332 1064454704 /nfs/dbraw/zinc/45/47/04/1064454704.db2.gz BUMVBGNENFBUTJ-UHFFFAOYSA-N 0 0 452.356 4.726 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001359796136 1064455343 /nfs/dbraw/zinc/45/53/43/1064455343.db2.gz VENIRYKPJBKXGK-IBGZPJMESA-N 0 0 481.563 4.645 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359795979 1064455419 /nfs/dbraw/zinc/45/54/19/1064455419.db2.gz RMNBITZKHAIHDC-GBXCKJPGSA-N 0 0 468.642 4.877 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CCCN1C(=O)c1ccccc1 ZINC001435039041 1064455417 /nfs/dbraw/zinc/45/54/17/1064455417.db2.gz YRQXZSDQPMRVSJ-OAQYLSRUSA-N 0 0 458.996 4.976 20 0 JJADRN C[C@@H](NC(=O)c1coc2c1C(=O)NCC(C)(C)C2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435038891 1064455494 /nfs/dbraw/zinc/45/54/94/1064455494.db2.gz FJZHAPUPYJKLKU-MRXNPFEDSA-N 0 0 450.510 4.801 20 0 JJADRN C[C@H](NC(=O)c1coc2c1C(=O)NCC(C)(C)C2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435038888 1064455538 /nfs/dbraw/zinc/45/55/38/1064455538.db2.gz FJZHAPUPYJKLKU-INIZCTEOSA-N 0 0 450.510 4.801 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359796320 1064456414 /nfs/dbraw/zinc/45/64/14/1064456414.db2.gz YJNBBBDRRIOAOQ-FQEVSTJZSA-N 0 0 456.656 4.813 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001359796720 1064457185 /nfs/dbraw/zinc/45/71/85/1064457185.db2.gz IQTGTNPWCMYZKM-HXUWFJFHSA-N 0 0 485.648 4.749 20 0 JJADRN COc1ccc2cccc(CC(=O)Nc3cccc(OCCNC(=O)OC(C)(C)C)c3)c2c1 ZINC001435040446 1064457244 /nfs/dbraw/zinc/45/72/44/1064457244.db2.gz NIHUTROWYPMKID-UHFFFAOYSA-N 0 0 450.535 4.933 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC001435040401 1064457280 /nfs/dbraw/zinc/45/72/80/1064457280.db2.gz PMSHWENPLUZOBS-UHFFFAOYSA-N 0 0 451.276 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1Cc1ccc(OC(C)C)cc1 ZINC001359797028 1064458086 /nfs/dbraw/zinc/45/80/86/1064458086.db2.gz SLRRURGGQPWORJ-QFIPXVFZSA-N 0 0 481.685 4.787 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1Cc1ccc(OC(C)C)cc1 ZINC001359797027 1064458093 /nfs/dbraw/zinc/45/80/93/1064458093.db2.gz SLRRURGGQPWORJ-JOCHJYFZSA-N 0 0 481.685 4.787 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1ccc(F)cc1 ZINC001545888360 1064458860 /nfs/dbraw/zinc/45/88/60/1064458860.db2.gz IWBFHONJSJMLSV-HXUWFJFHSA-N 0 0 455.603 4.959 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001359797674 1064459924 /nfs/dbraw/zinc/45/99/24/1064459924.db2.gz LFZBXEOUZOSQCP-KSZLIROESA-N 0 0 450.501 4.905 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2SC(=O)N(C)C)cnn1-c1cccc(Br)c1 ZINC001435043315 1064459999 /nfs/dbraw/zinc/45/99/99/1064459999.db2.gz SRUYNNJNEVOESE-UHFFFAOYSA-N 0 0 459.369 4.969 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)COc3cccc4cccnc43)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797860 1064460843 /nfs/dbraw/zinc/46/08/43/1064460843.db2.gz QGFMFXWKTBNFJY-IYBDPMFKSA-N 0 0 459.468 4.885 20 0 JJADRN CCC(CC)(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OC)c(OC)c1 ZINC001435044090 1064461012 /nfs/dbraw/zinc/46/10/12/1064461012.db2.gz DTBBZHBQUOJVGH-UHFFFAOYSA-N 0 0 457.958 4.824 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435047477 1064463790 /nfs/dbraw/zinc/46/37/90/1064463790.db2.gz VFOJVLTUOIMSGB-UHFFFAOYSA-N 0 0 456.333 4.569 20 0 JJADRN CCc1c(Br)cc(C(=O)NCCc2ccc(OC)c(F)c2)cc1Br ZINC001435047444 1064463859 /nfs/dbraw/zinc/46/38/59/1064463859.db2.gz SYZWTFLMJUEMTA-UHFFFAOYSA-N 0 0 459.153 4.894 20 0 JJADRN CC(C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(C(F)(F)F)n1 ZINC001435048351 1064465660 /nfs/dbraw/zinc/46/56/60/1064465660.db2.gz CSRIVNNUCRXVOA-IBGZPJMESA-N 0 0 455.480 4.744 20 0 JJADRN O=C(Oc1ccccc1OC(F)F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435048679 1064466221 /nfs/dbraw/zinc/46/62/21/1064466221.db2.gz FRSHXFOLHXIKAV-UHFFFAOYSA-N 0 0 454.267 4.508 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(OCc2cscn2)c1 ZINC001435049001 1064466322 /nfs/dbraw/zinc/46/63/22/1064466322.db2.gz LEXUTGHEGAZVBS-XMMPIXPASA-N 0 0 457.555 4.702 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)o2)c1 ZINC001359799853 1064466821 /nfs/dbraw/zinc/46/68/21/1064466821.db2.gz WSLGPRKDECZRLP-IBGZPJMESA-N 0 0 455.486 4.536 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049166 1064467345 /nfs/dbraw/zinc/46/73/45/1064467345.db2.gz KVODBKALSQRYRV-USCONSEESA-N 0 0 457.665 4.848 20 0 JJADRN O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001435050555 1064468099 /nfs/dbraw/zinc/46/80/99/1064468099.db2.gz VGVKDBSONRCYPQ-UHFFFAOYSA-N 0 0 450.857 4.669 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CC(=O)NC1CCCCC1 ZINC001359801204 1064468539 /nfs/dbraw/zinc/46/85/39/1064468539.db2.gz RDEUGQYNDIRXDC-RUZDIDTESA-N 0 0 488.076 4.529 20 0 JJADRN C[C@H](Cc1cccs1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001359801289 1064468618 /nfs/dbraw/zinc/46/86/18/1064468618.db2.gz RQESPDBIGZBMIR-CXAGYDPISA-N 0 0 453.402 4.824 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c1 ZINC001435051002 1064469116 /nfs/dbraw/zinc/46/91/16/1064469116.db2.gz LCVMYWYSJNKFTF-UHFFFAOYSA-N 0 0 454.573 4.967 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3nc(Br)sc3C3CC3)cc2)c1 ZINC001435051672 1064469920 /nfs/dbraw/zinc/46/99/20/1064469920.db2.gz BBNULYRUYJXRDX-UHFFFAOYSA-N 0 0 458.337 4.927 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)c1ccccc1Br ZINC001435051781 1064470141 /nfs/dbraw/zinc/47/01/41/1064470141.db2.gz CGVONGJSPYDNEQ-FQEVSTJZSA-N 0 0 455.308 4.667 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001435053112 1064471099 /nfs/dbraw/zinc/47/10/99/1064471099.db2.gz NADMLFDGHFBUQX-UHFFFAOYSA-N 0 0 458.493 4.701 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1ccncc1Cl ZINC001545888445 1064471788 /nfs/dbraw/zinc/47/17/88/1064471788.db2.gz MIFNRVUCQCXYFB-LJQANCHMSA-N 0 0 473.046 4.869 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001359804263 1064472897 /nfs/dbraw/zinc/47/28/97/1064472897.db2.gz VUTKNGIHNZLXEA-INIZCTEOSA-N 0 0 453.995 4.921 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359804484 1064473303 /nfs/dbraw/zinc/47/33/03/1064473303.db2.gz BQWRXBVPVIMAAA-UHFFFAOYSA-N 0 0 473.706 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359804771 1064473426 /nfs/dbraw/zinc/47/34/26/1064473426.db2.gz GJHYTVMJFGPRGR-UHFFFAOYSA-N 0 0 494.615 4.546 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1Cc1ccccc1C(F)(F)F ZINC001359804557 1064473554 /nfs/dbraw/zinc/47/35/54/1064473554.db2.gz CTNOHBCKBAFFRP-UHFFFAOYSA-N 0 0 477.575 4.773 20 0 JJADRN Cc1nc(C(=O)NCCCc2nc3c(s2)CCCC3)nn1-c1c(Cl)cccc1Cl ZINC001359805545 1064474353 /nfs/dbraw/zinc/47/43/53/1064474353.db2.gz FGXUQMHNOAJNHX-UHFFFAOYSA-N 0 0 450.395 4.580 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)c3cccc(C(=O)N4CCCC4)n3)cc2)cc1 ZINC001359805022 1064474488 /nfs/dbraw/zinc/47/44/88/1064474488.db2.gz BDAGVPYNKMQDNR-NRFANRHFSA-N 0 0 457.574 4.566 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001545888470 1064474573 /nfs/dbraw/zinc/47/45/73/1064474573.db2.gz NOILKSCJSCEVAZ-UHFFFAOYSA-N 0 0 484.645 4.701 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435056132 1064474656 /nfs/dbraw/zinc/47/46/56/1064474656.db2.gz GMHBIAJCUHHRQI-JXFKEZNVSA-N 0 0 450.501 4.889 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC1CCCC1 ZINC001435056465 1064475470 /nfs/dbraw/zinc/47/54/70/1064475470.db2.gz PJEZGPASBRLPMD-FQRUVTKNSA-N 0 0 458.599 4.670 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Br)ccc3C2)n1CCC(C)C ZINC001545888481 1064475510 /nfs/dbraw/zinc/47/55/10/1064475510.db2.gz OARBEHRBKUBBEG-UHFFFAOYSA-N 0 0 462.436 4.568 20 0 JJADRN CCCCCCn1nc(C(=O)NCCCc2nc3c(s2)CCCC3)c2ccccc2c1=O ZINC001359806392 1064476202 /nfs/dbraw/zinc/47/62/02/1064476202.db2.gz MDRGIZCRHBYPLL-UHFFFAOYSA-N 0 0 452.624 4.675 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359806173 1064476263 /nfs/dbraw/zinc/47/62/63/1064476263.db2.gz QRKNRJIJDHOWRM-ICSRJNTNSA-N 0 0 488.702 4.963 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC001435057765 1064476318 /nfs/dbraw/zinc/47/63/18/1064476318.db2.gz SRRHMZAHNJWREE-UHFFFAOYSA-N 0 0 454.017 4.945 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359805966 1064476401 /nfs/dbraw/zinc/47/64/01/1064476401.db2.gz RSDKAZCZSKFQCB-MYGLTJDJSA-N 0 0 459.679 4.852 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC001435058704 1064477209 /nfs/dbraw/zinc/47/72/09/1064477209.db2.gz NZYUAIMHJZHEHI-HNNXBMFYSA-N 0 0 456.420 4.561 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC001435059107 1064477313 /nfs/dbraw/zinc/47/73/13/1064477313.db2.gz BNYDEMRYESBITP-QGZVFWFLSA-N 0 0 451.361 4.667 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC001435059106 1064477349 /nfs/dbraw/zinc/47/73/49/1064477349.db2.gz BNYDEMRYESBITP-KRWDZBQOSA-N 0 0 451.361 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001359807637 1064478061 /nfs/dbraw/zinc/47/80/61/1064478061.db2.gz AGIMTXLUCGWQQK-FQEVSTJZSA-N 0 0 465.708 4.703 20 0 JJADRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001435059530 1064478080 /nfs/dbraw/zinc/47/80/80/1064478080.db2.gz WLSRIHBRQTUYFN-JOCHJYFZSA-N 0 0 453.995 4.939 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359807646 1064478263 /nfs/dbraw/zinc/47/82/63/1064478263.db2.gz AJZJYPIMYIDRTR-HSZRJFAPSA-N 0 0 470.065 4.546 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3F)c(F)c2)cc1 ZINC001435060222 1064478892 /nfs/dbraw/zinc/47/88/92/1064478892.db2.gz KTZQJHQQEDJOCP-QFIPXVFZSA-N 0 0 454.498 4.794 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1OC1CCCC1 ZINC001435061845 1064479721 /nfs/dbraw/zinc/47/97/21/1064479721.db2.gz GVASFRPXRLLHKX-OAQYLSRUSA-N 0 0 454.592 4.787 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(F)cc(Br)c2C)c1C ZINC001435061771 1064479824 /nfs/dbraw/zinc/47/98/24/1064479824.db2.gz UCUNYKDVVOLOMV-SFHVURJKSA-N 0 0 451.361 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCc2ccccc21 ZINC001359808171 1064479885 /nfs/dbraw/zinc/47/98/85/1064479885.db2.gz JPYSYSJNAPAIIH-QFIPXVFZSA-N 0 0 496.700 4.623 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(F)c(F)c1 ZINC001359808367 1064480771 /nfs/dbraw/zinc/48/07/71/1064480771.db2.gz NHQUSOBNLSHUGV-IBGZPJMESA-N 0 0 477.600 4.691 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cncn3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359808439 1064480782 /nfs/dbraw/zinc/48/07/82/1064480782.db2.gz OUDLVQIXDVEEOG-NRFANRHFSA-N 0 0 479.526 4.606 20 0 JJADRN Cc1nn(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001359808524 1064480817 /nfs/dbraw/zinc/48/08/17/1064480817.db2.gz YZOWRNAFHLPVKL-UHFFFAOYSA-N 0 0 459.472 4.795 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)c(Br)c2)c(C)c1 ZINC001435063274 1064481774 /nfs/dbraw/zinc/48/17/74/1064481774.db2.gz YICQILRJSDKGSI-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC1(c2ccccc2)CC1 ZINC001359809327 1064483304 /nfs/dbraw/zinc/48/33/04/1064483304.db2.gz NLXCDSFWOGKUCQ-UHFFFAOYSA-N 0 0 467.658 4.950 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(CC(F)(F)F)c3ccccc3)c2)C1 ZINC001435064610 1064483429 /nfs/dbraw/zinc/48/34/29/1064483429.db2.gz KTTIAQPJKJSYJO-CALCHBBNSA-N 0 0 454.514 4.562 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c(OC(F)F)c1 ZINC001435065017 1064484332 /nfs/dbraw/zinc/48/43/32/1064484332.db2.gz MDNCVOVCQHNYHB-UHFFFAOYSA-N 0 0 459.424 4.531 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)c2ccccc2)cc1Br ZINC001359810298 1064485062 /nfs/dbraw/zinc/48/50/62/1064485062.db2.gz LQSJZWMEARIALK-HTAPYJJXSA-N 0 0 454.368 4.517 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CCC(=O)c3cccn32)c2ccccc2)cc1Br ZINC001359810973 1064485973 /nfs/dbraw/zinc/48/59/73/1064485973.db2.gz ZJYPMILCALBDFT-KNQAVFIVSA-N 0 0 453.336 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359810994 1064485977 /nfs/dbraw/zinc/48/59/77/1064485977.db2.gz AKKYLMZMRGHOQR-XMSQKQJNSA-N 0 0 482.595 4.985 20 0 JJADRN CSCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1 ZINC001435066204 1064486074 /nfs/dbraw/zinc/48/60/74/1064486074.db2.gz GRYNRJNBDXIHIV-QGZVFWFLSA-N 0 0 452.601 4.942 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001359812053 1064488246 /nfs/dbraw/zinc/48/82/46/1064488246.db2.gz AZCYFBOFMJSTJK-RPBOFIJWSA-N 0 0 457.014 4.778 20 0 JJADRN CCN(C(=O)CCc1nc(C(C)C)no1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435068519 1064489257 /nfs/dbraw/zinc/48/92/57/1064489257.db2.gz QNBLRQKLQAUPKE-NRFANRHFSA-N 0 0 457.372 4.921 20 0 JJADRN C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)N1CCc2sccc2C1 ZINC001359813539 1064490301 /nfs/dbraw/zinc/49/03/01/1064490301.db2.gz XCUGPISOWJTGGL-KRWDZBQOSA-N 0 0 455.624 4.612 20 0 JJADRN 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ZINC001359814509 1064491851 /nfs/dbraw/zinc/49/18/51/1064491851.db2.gz IIVGTBVGRWMRNJ-QFIPXVFZSA-N 0 0 482.673 4.619 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1 ZINC001435070626 1064491908 /nfs/dbraw/zinc/49/19/08/1064491908.db2.gz JFUMBMDZAITTNL-FQEVSTJZSA-N 0 0 457.530 4.841 20 0 JJADRN COCCN(Cc1cccnc1)C(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC001435070488 1064492056 /nfs/dbraw/zinc/49/20/56/1064492056.db2.gz CGJTUIZVZUAFSO-UHFFFAOYSA-N 0 0 454.574 4.899 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC001435070853 1064492946 /nfs/dbraw/zinc/49/29/46/1064492946.db2.gz LMDIYLAGSGKMTD-QGZVFWFLSA-N 0 0 456.271 4.840 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359814592 1064492921 /nfs/dbraw/zinc/49/29/21/1064492921.db2.gz KRQCBFYBQBYLGE-GHTZIAJQSA-N 0 0 491.080 4.536 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(OC)c(OC2CCCC2)c1)C1CC1 ZINC001435071423 1064493729 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ZINC001359817797 1064500530 /nfs/dbraw/zinc/50/05/30/1064500530.db2.gz KXLURACOYDMDOG-UHFFFAOYSA-N 0 0 473.706 4.880 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001435077617 1064500570 /nfs/dbraw/zinc/50/05/70/1064500570.db2.gz XHUJABGZKKVDRM-UHFFFAOYSA-N 0 0 451.214 4.693 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cc(-n3cccn3)ccn2)c1)c1cccc(C(F)(F)F)c1 ZINC001435078822 1064500924 /nfs/dbraw/zinc/50/09/24/1064500924.db2.gz IOVGHULURULISK-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359818077 1064501339 /nfs/dbraw/zinc/50/13/39/1064501339.db2.gz RVPWXOJQPBDMLG-HSZRJFAPSA-N 0 0 460.066 4.828 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccnc(Br)c1)C1CC1 ZINC001435080227 1064501927 /nfs/dbraw/zinc/50/19/27/1064501927.db2.gz DVRWCNWAHYSBMZ-UHFFFAOYSA-N 0 0 454.162 4.810 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)=NN1c1ccccc1 ZINC001435079756 1064502221 /nfs/dbraw/zinc/50/22/21/1064502221.db2.gz GKCBXNTWSCKYKN-GOTSBHOMSA-N 0 0 451.542 4.760 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)CC1=O ZINC001359818726 1064502348 /nfs/dbraw/zinc/50/23/48/1064502348.db2.gz KLNHWMSKQPLAGG-VWLOTQADSA-N 0 0 456.586 4.882 20 0 JJADRN O=C(COc1ccc(Br)cc1)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001359818685 1064502435 /nfs/dbraw/zinc/50/24/35/1064502435.db2.gz JUZLUJYYLOSGSE-UHFFFAOYSA-N 0 0 454.320 4.501 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC001359818848 1064502791 /nfs/dbraw/zinc/50/27/91/1064502791.db2.gz ODSITIXFDLDRNN-UHFFFAOYSA-N 0 0 458.558 4.846 20 0 JJADRN CCCN(C(=O)c1ccc(Cn2cc(Cl)cn2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082122 1064503570 /nfs/dbraw/zinc/50/35/70/1064503570.db2.gz AOKXUYQWSFFIAT-INIZCTEOSA-N 0 0 453.008 4.508 20 0 JJADRN CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001435082248 1064503697 /nfs/dbraw/zinc/50/36/97/1064503697.db2.gz FMSPQGRHNBTTQA-XMMPIXPASA-N 0 0 452.551 4.617 20 0 JJADRN Cn1c(CCNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccc(F)cc21 ZINC001435082261 1064503782 /nfs/dbraw/zinc/50/37/82/1064503782.db2.gz FTUWVSGKMGTUKN-QHCPKHFHSA-N 0 0 455.892 4.984 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)cc2)cc1 ZINC001359820936 1064503898 /nfs/dbraw/zinc/50/38/98/1064503898.db2.gz XUUWLDFBSDNGKK-QHCPKHFHSA-N 0 0 452.620 4.701 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001359820720 1064503989 /nfs/dbraw/zinc/50/39/89/1064503989.db2.gz UCKJQEXJAIMDTI-OAHLLOKOSA-N 0 0 458.527 4.601 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(C2)CCOCC3)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359821934 1064504640 /nfs/dbraw/zinc/50/46/40/1064504640.db2.gz ZHXKYJBBDVQTNY-UHFFFAOYSA-N 0 0 466.548 4.611 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001435084027 1064505535 /nfs/dbraw/zinc/50/55/35/1064505535.db2.gz QHFXXHAJOCBODH-RBBKRZOGSA-N 0 0 458.530 4.663 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC001435086920 1064507197 /nfs/dbraw/zinc/50/71/97/1064507197.db2.gz PRMKZINDNIDBNF-JOCHJYFZSA-N 0 0 458.002 4.957 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC001359824600 1064507172 /nfs/dbraw/zinc/50/71/72/1064507172.db2.gz QHKHISKRSJEZSE-HXUWFJFHSA-N 0 0 452.967 4.568 20 0 JJADRN Cc1ccc(OCc2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(F)c3)o2)c(C)c1 ZINC001359824625 1064507186 /nfs/dbraw/zinc/50/71/86/1064507186.db2.gz QZJMSZPVCVBOAJ-FQEVSTJZSA-N 0 0 454.523 4.768 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c(C)c1 ZINC001359824472 1064507213 /nfs/dbraw/zinc/50/72/13/1064507213.db2.gz NYAXHADYFIEVLH-MAUKXSAKSA-N 0 0 452.498 4.630 20 0 JJADRN CCN1CCOC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 ZINC001435089571 1064507481 /nfs/dbraw/zinc/50/74/81/1064507481.db2.gz CVTKUBCUZVVRNG-QGZVFWFLSA-N 0 0 453.764 4.862 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)nn1-c1ccc(Cl)cc1 ZINC001359824998 1064507610 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WPKCRRRAJNMPTO-HNNXBMFYSA-N 0 0 454.552 4.503 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)c(OC)c1 ZINC001435092117 1064509483 /nfs/dbraw/zinc/50/94/83/1064509483.db2.gz XBNNZHPVKKEIDO-UUOWRZLLSA-N 0 0 456.970 4.758 20 0 JJADRN CCCCCC[C@](C)(NC(=O)c1scc(C)c1I)C(=O)OCC ZINC001435092185 1064509514 /nfs/dbraw/zinc/50/95/14/1064509514.db2.gz XWIFAXMGTUFNPS-KRWDZBQOSA-N 0 0 451.370 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359827423 1064509546 /nfs/dbraw/zinc/50/95/46/1064509546.db2.gz ZSUCEPIGXFIRDN-IAGOWNOFSA-N 0 0 461.573 4.805 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@H]1CCC=CO1 ZINC001545888712 1064510063 /nfs/dbraw/zinc/51/00/63/1064510063.db2.gz VNOFYYMJIUADRH-XMMPIXPASA-N 0 0 495.668 4.877 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001435094354 1064510728 /nfs/dbraw/zinc/51/07/28/1064510728.db2.gz CJWHPDKIOKHLCM-QGZVFWFLSA-N 0 0 455.045 4.630 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(OC)ccc2OCC)[C@H]1c1ccccc1OC ZINC001435094708 1064510745 /nfs/dbraw/zinc/51/07/45/1064510745.db2.gz GSGZDRYLAFOCBG-NBGIEHNGSA-N 0 0 454.567 4.821 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H](C)c1ncc(C)s1 ZINC001545888722 1064510833 /nfs/dbraw/zinc/51/08/33/1064510833.db2.gz VTHXNRYAKLMGIZ-INIZCTEOSA-N 0 0 452.628 4.768 20 0 JJADRN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001359828703 1064510847 /nfs/dbraw/zinc/51/08/47/1064510847.db2.gz HOHQHEAYMFUUBD-QGZVFWFLSA-N 0 0 455.432 4.889 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001359829103 1064510981 /nfs/dbraw/zinc/51/09/81/1064510981.db2.gz LTXQTQPWULLDQX-NRFANRHFSA-N 0 0 453.951 4.990 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Sc2ccccc2)c1 ZINC001435095595 1064511029 /nfs/dbraw/zinc/51/10/29/1064511029.db2.gz WDXUNIHBYQYVAC-UHFFFAOYSA-N 0 0 454.617 4.797 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001359828490 1064511012 /nfs/dbraw/zinc/51/10/12/1064511012.db2.gz FHQAEUZALYHYFV-INIZCTEOSA-N 0 0 459.782 4.874 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)s1 ZINC001359828580 1064511074 /nfs/dbraw/zinc/51/10/74/1064511074.db2.gz IIFGCVQPLODUGO-UHFFFAOYSA-N 0 0 456.568 4.678 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435095196 1064511213 /nfs/dbraw/zinc/51/12/13/1064511213.db2.gz JFAROWNRMJTRSJ-SSZMPNMXSA-N 0 0 457.014 4.806 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)cc(F)c2Br)c1 ZINC001359829826 1064511307 /nfs/dbraw/zinc/51/13/07/1064511307.db2.gz VSSXVZPFRBWWKW-HNNXBMFYSA-N 0 0 457.752 4.704 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC001359829936 1064511359 /nfs/dbraw/zinc/51/13/59/1064511359.db2.gz XNJIBLQZTKXYND-MRXNPFEDSA-N 0 0 459.782 4.874 20 0 JJADRN CCCn1c(C)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)c2cc(OC)ccc21 ZINC001359829938 1064511559 /nfs/dbraw/zinc/51/15/59/1064511559.db2.gz XNJVXIQXLMCMGW-JOCHJYFZSA-N 0 0 451.592 4.831 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001359829649 1064511595 /nfs/dbraw/zinc/51/15/95/1064511595.db2.gz SOIFALLFECUFIU-KWRJMZDGSA-N 0 0 450.482 4.658 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359829935 1064512072 /nfs/dbraw/zinc/51/20/72/1064512072.db2.gz AHAZLMGZSLYLSP-QZTJIDSGSA-N 0 0 451.537 4.582 20 0 JJADRN O=C(NCC1(C(=O)Nc2nc(Cc3ccccc3)ns2)CCCC1)OCc1ccccc1 ZINC001435096897 1064512060 /nfs/dbraw/zinc/51/20/60/1064512060.db2.gz KUHXVJIHMOIPOE-UHFFFAOYSA-N 0 0 450.564 4.554 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001359830305 1064512490 /nfs/dbraw/zinc/51/24/90/1064512490.db2.gz GPRFLQYXECPUKZ-MSOLQXFVSA-N 0 0 481.472 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359830211 1064512585 /nfs/dbraw/zinc/51/25/85/1064512585.db2.gz DTIKMMHOXURCKT-FSSWDIPSSA-N 0 0 477.694 4.669 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC001435097749 1064512673 /nfs/dbraw/zinc/51/26/73/1064512673.db2.gz PPZMSHOMRWDOOR-ZDUSSCGKSA-N 0 0 453.764 4.757 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001359830227 1064512686 /nfs/dbraw/zinc/51/26/86/1064512686.db2.gz FBDBAPBWEMIFEC-GOSISDBHSA-N 0 0 489.711 4.684 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N(C(=O)OCc2ccccc2)C1 ZINC001435100432 1064513808 /nfs/dbraw/zinc/51/38/08/1064513808.db2.gz VAIVMUBLBBJTNC-ZLNRFVROSA-N 0 0 456.970 4.724 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359830712 1064513833 /nfs/dbraw/zinc/51/38/33/1064513833.db2.gz PHLTUPFURSKKDV-HZPDHXFCSA-N 0 0 454.512 4.724 20 0 JJADRN CC(C)[C@@H](C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435101249 1064514198 /nfs/dbraw/zinc/51/41/98/1064514198.db2.gz PRUHAHKNDZFPFB-QFBILLFUSA-N 0 0 450.576 4.802 20 0 JJADRN CN(CC(=O)N1CCCc2cc(Br)cc(Cl)c21)C(=O)OCc1ccccc1 ZINC001435101030 1064514424 /nfs/dbraw/zinc/51/44/24/1064514424.db2.gz KNELGOKTBMCDSN-UHFFFAOYSA-N 0 0 451.748 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc4c(cc3C2)CCCC4)n1CCCOC(F)(F)F ZINC001545888424 1064514772 /nfs/dbraw/zinc/51/47/72/1064514772.db2.gz LQRHUMSQBBPNHB-UHFFFAOYSA-N 0 0 493.574 4.565 20 0 JJADRN O=C(Cc1ccccc1O[C@@H]1CCOC1)N1CCCc2cc(Br)cc(Cl)c21 ZINC001435101800 1064514813 /nfs/dbraw/zinc/51/48/13/1064514813.db2.gz NXXLNGQEYXOKTQ-QGZVFWFLSA-N 0 0 450.760 4.792 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccc(Cl)s1 ZINC001359831722 1064514939 /nfs/dbraw/zinc/51/49/39/1064514939.db2.gz ATXWOZVUCGYHKS-INIZCTEOSA-N 0 0 452.068 4.619 20 0 JJADRN CCCCC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1 ZINC001359831821 1064515285 /nfs/dbraw/zinc/51/52/85/1064515285.db2.gz QAUSPDUJDBYEFL-SFTDATJTSA-N 0 0 455.603 4.902 20 0 JJADRN O=C(Nc1cccc(C(=O)Oc2ccc(Br)c(F)c2)c1)[C@H]1Cc2ccccc2O1 ZINC001435104032 1064515543 /nfs/dbraw/zinc/51/55/43/1064515543.db2.gz ISUYKIAGGZSYDP-HXUWFJFHSA-N 0 0 456.267 4.750 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1cscc1C(F)(F)F ZINC001359831851 1064515614 /nfs/dbraw/zinc/51/56/14/1064515614.db2.gz BVIWQRAELDHFSR-MRXNPFEDSA-N 0 0 485.620 4.984 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CC(C)(C)c1ccccn1 ZINC001359832610 1064515930 /nfs/dbraw/zinc/51/59/30/1064515930.db2.gz MNNACQFFHOUOIY-GOSISDBHSA-N 0 0 475.563 4.906 20 0 JJADRN Cc1ccc([C@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107161 1064516590 /nfs/dbraw/zinc/51/65/90/1064516590.db2.gz BSRGTXZBCCDEAK-QHCPKHFHSA-N 0 0 450.897 4.598 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107606 1064517305 /nfs/dbraw/zinc/51/73/05/1064517305.db2.gz FZUXOUKBNUILDO-FNZWTVRRSA-N 0 0 459.590 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCc1ccc(F)cc1Cl ZINC001359832846 1064517308 /nfs/dbraw/zinc/51/73/08/1064517308.db2.gz PNSLJYCMYVZNHG-SFHVURJKSA-N 0 0 464.029 4.500 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108347 1064517781 /nfs/dbraw/zinc/51/77/81/1064517781.db2.gz KQDQRRFWDFPFES-RLSLOFABSA-N 0 0 454.586 4.605 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108231 1064517931 /nfs/dbraw/zinc/51/79/31/1064517931.db2.gz DTWKITLZQMRFIA-KBMIEXCESA-N 0 0 451.611 4.536 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1nn(C)cc1I)[C@H]1CCC[C@H](C)C1 ZINC001435108785 1064518261 /nfs/dbraw/zinc/51/82/61/1064518261.db2.gz HRYWIFRRDSDWSX-DHSIGJKJSA-N 0 0 451.352 4.631 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359833336 1064518287 /nfs/dbraw/zinc/51/82/87/1064518287.db2.gz WOVDXKXPXFNBQD-GOSISDBHSA-N 0 0 494.055 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359833273 1064518631 /nfs/dbraw/zinc/51/86/31/1064518631.db2.gz VUSMEWNOEBITIX-RXFWQSSRSA-N 0 0 477.694 4.549 20 0 JJADRN COc1cc(OC)c(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c(OC)c1 ZINC001435109322 1064518707 /nfs/dbraw/zinc/51/87/07/1064518707.db2.gz RPMRCJXYZVWFBW-UHFFFAOYSA-N 0 0 451.485 4.902 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109292 1064518773 /nfs/dbraw/zinc/51/87/73/1064518773.db2.gz RKMYJIRVTSSPTB-PIKZIKFNSA-N 0 0 459.634 4.962 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001435109551 1064518809 /nfs/dbraw/zinc/51/88/09/1064518809.db2.gz PBGDPZVRBNILKE-HNNXBMFYSA-N 0 0 452.414 4.980 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1(C)C ZINC001359833507 1064519098 /nfs/dbraw/zinc/51/90/98/1064519098.db2.gz YMVUSQFPSCUDSF-OALUTQOASA-N 0 0 465.708 4.844 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCSC(F)(F)F ZINC001359833443 1064519225 /nfs/dbraw/zinc/51/92/25/1064519225.db2.gz XPDYAHWYPUDTHM-HNNXBMFYSA-N 0 0 465.586 4.565 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110641 1064520007 /nfs/dbraw/zinc/52/00/07/1064520007.db2.gz YGXKLQIMEAJTIW-CLOONOSVSA-N 0 0 457.014 4.731 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359834355 1064520113 /nfs/dbraw/zinc/52/01/13/1064520113.db2.gz BKIVPLUXNNGTRS-PMACEKPBSA-N 0 0 494.453 4.691 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)c(Br)c2)cc1C ZINC001359834173 1064520131 /nfs/dbraw/zinc/52/01/31/1064520131.db2.gz WZWOWYIVSCWLRG-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccccc1I ZINC001435110788 1064520345 /nfs/dbraw/zinc/52/03/45/1064520345.db2.gz CGJRAMCTVOOEBQ-UHFFFAOYSA-N 0 0 450.320 4.765 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110846 1064520440 /nfs/dbraw/zinc/52/04/40/1064520440.db2.gz ZKBFWLUWGJCJPK-SZHXJAFASA-N 0 0 475.677 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359834727 1064520640 /nfs/dbraw/zinc/52/06/40/1064520640.db2.gz KAFCNRVQMVFKRP-KKSFZXQISA-N 0 0 474.955 4.585 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1Cc1ccccc1Br ZINC001359834517 1064520707 /nfs/dbraw/zinc/52/07/07/1064520707.db2.gz FLPDAGZFWREPMT-GOSISDBHSA-N 0 0 488.405 4.869 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112231 1064520844 /nfs/dbraw/zinc/52/08/44/1064520844.db2.gz UWBLXPOWMOVWTH-UUOWRZLLSA-N 0 0 457.014 4.974 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359834915 1064521139 /nfs/dbraw/zinc/52/11/39/1064521139.db2.gz OCQCAEJQDWVHFF-HKBOAZHASA-N 0 0 477.694 4.906 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001359834997 1064521804 /nfs/dbraw/zinc/52/18/04/1064521804.db2.gz PQRANFCRMSNMEX-WIOPSUGQSA-N 0 0 483.701 4.530 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001435114644 1064521832 /nfs/dbraw/zinc/52/18/32/1064521832.db2.gz LEWYMHUCOFWHGU-MOPGFXCFSA-N 0 0 451.995 4.553 20 0 JJADRN Cc1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)ccc1C(=O)NC(C)C ZINC001435113476 1064521912 /nfs/dbraw/zinc/52/19/12/1064521912.db2.gz DYLDSUWVXDJGTC-NRFANRHFSA-N 0 0 457.546 4.519 20 0 JJADRN O=C(CCCS(=O)(=O)c1cccc(Br)c1)N(c1ccccc1)C1CCCC1 ZINC001435114611 1064522326 /nfs/dbraw/zinc/52/23/26/1064522326.db2.gz RGMBTVDISSRYBE-UHFFFAOYSA-N 0 0 450.398 4.979 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC001435114735 1064522378 /nfs/dbraw/zinc/52/23/78/1064522378.db2.gz MJJFBZSNTHYFPX-UHFFFAOYSA-N 0 0 451.954 4.599 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001435114649 1064522421 /nfs/dbraw/zinc/52/24/21/1064522421.db2.gz LEWYMHUCOFWHGU-RBUKOAKNSA-N 0 0 451.995 4.553 20 0 JJADRN Cc1cc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)ccc1C(=O)NC(C)C ZINC001435114661 1064522462 /nfs/dbraw/zinc/52/24/62/1064522462.db2.gz NGFCILMJEJDKKY-UHFFFAOYSA-N 0 0 454.958 4.783 20 0 JJADRN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(Cl)nc(N2CCCC2)c1 ZINC001435115821 1064523144 /nfs/dbraw/zinc/52/31/44/1064523144.db2.gz ILJDANYLJJOJLG-UHFFFAOYSA-N 0 0 455.967 4.561 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)c2)cc1 ZINC001359837335 1064523737 /nfs/dbraw/zinc/52/37/37/1064523737.db2.gz CPEXBUXDISITSN-HFJWLAOPSA-N 0 0 453.583 4.961 20 0 JJADRN COc1cccc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116316 1064524049 /nfs/dbraw/zinc/52/40/49/1064524049.db2.gz PDSOFIJSQBAQIX-BGYRXZFFSA-N 0 0 452.595 4.556 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC001435116310 1064524124 /nfs/dbraw/zinc/52/41/24/1064524124.db2.gz PBXYQZIALKDJAX-UHFFFAOYSA-N 0 0 451.544 4.868 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)c1 ZINC001359837554 1064524203 /nfs/dbraw/zinc/52/42/03/1064524203.db2.gz HZDKVYBMBSVLIQ-SZNDQCEHSA-N 0 0 455.393 4.661 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001359837667 1064524246 /nfs/dbraw/zinc/52/42/46/1064524246.db2.gz KFTBYOUAQKTBMK-NYHFZMIOSA-N 0 0 453.421 4.827 20 0 JJADRN O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001435116308 1064524137 /nfs/dbraw/zinc/52/41/37/1064524137.db2.gz PAOINDDMQHNURM-UHFFFAOYSA-N 0 0 450.343 4.985 20 0 JJADRN COc1cccc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116317 1064524335 /nfs/dbraw/zinc/52/43/35/1064524335.db2.gz PDSOFIJSQBAQIX-PMACEKPBSA-N 0 0 452.595 4.556 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001435116521 1064524390 /nfs/dbraw/zinc/52/43/90/1064524390.db2.gz QCNZIFDDTDRBRA-UHFFFAOYSA-N 0 0 451.433 4.925 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)c2)n1 ZINC001359838174 1064524624 /nfs/dbraw/zinc/52/46/24/1064524624.db2.gz VJLBULMELZGFGS-DWXRJYCRSA-N 0 0 454.615 4.752 20 0 JJADRN Cc1cccc(CC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1Br ZINC001435116838 1064524805 /nfs/dbraw/zinc/52/48/05/1064524805.db2.gz ZKRAJYZACKBBER-UHFFFAOYSA-N 0 0 458.377 4.913 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2csc([C@H]3CCCO3)n2)cc1)c1ccc(Cl)cc1 ZINC001435118651 1064525467 /nfs/dbraw/zinc/52/54/67/1064525467.db2.gz KVGHWFPJEIILAB-HXUWFJFHSA-N 0 0 456.951 4.840 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1OC ZINC001435119696 1064525832 /nfs/dbraw/zinc/52/58/32/1064525832.db2.gz HUWZANAMZHYHNJ-ZDUSSCGKSA-N 0 0 451.420 4.847 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359839591 1064525945 /nfs/dbraw/zinc/52/59/45/1064525945.db2.gz RDQGIPIIKJIYOB-JOCHJYFZSA-N 0 0 479.629 4.947 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001435119885 1064526330 /nfs/dbraw/zinc/52/63/30/1064526330.db2.gz NYXYNHGAGFXRPY-FGZHOGPDSA-N 0 0 452.352 4.861 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3cccc4cccc(Br)c43)c2)cn1 ZINC001359840266 1064526327 /nfs/dbraw/zinc/52/63/27/1064526327.db2.gz YPEMHWNOMWCTEW-UHFFFAOYSA-N 0 0 450.292 4.807 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)c2)cc1 ZINC001359840142 1064526435 /nfs/dbraw/zinc/52/64/35/1064526435.db2.gz UILVTHBNGXRBCF-UHFFFAOYSA-N 0 0 455.514 4.953 20 0 JJADRN CC(C)[C@@H](C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)OC(C)(C)C ZINC001435119932 1064526353 /nfs/dbraw/zinc/52/63/53/1064526353.db2.gz ONKIQAXDSFEHCB-NRFANRHFSA-N 0 0 459.970 4.832 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001435119889 1064526503 /nfs/dbraw/zinc/52/65/03/1064526503.db2.gz NYXYNHGAGFXRPY-YADHBBJMSA-N 0 0 452.352 4.861 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC001435121156 1064526895 /nfs/dbraw/zinc/52/68/95/1064526895.db2.gz SVNPZMLTCNXFTG-NRFANRHFSA-N 0 0 456.409 4.933 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001359840498 1064526847 /nfs/dbraw/zinc/52/68/47/1064526847.db2.gz HYMXIROHHASHKD-OAQYLSRUSA-N 0 0 485.648 4.702 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H]1CC=CCC1 ZINC001359840594 1064527068 /nfs/dbraw/zinc/52/70/68/1064527068.db2.gz LEKXPCGHCIAMOQ-FQEVSTJZSA-N 0 0 456.034 4.839 20 0 JJADRN Cc1ccc([C@H]2CSCCN2C(=O)c2cc(Br)nc(Br)c2)cc1 ZINC001435120464 1064527073 /nfs/dbraw/zinc/52/70/73/1064527073.db2.gz QHVUZJMDAFPKCT-CQSZACIVSA-N 0 0 456.203 4.845 20 0 JJADRN CC(C)(CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc(F)c1 ZINC001435121700 1064527989 /nfs/dbraw/zinc/52/79/89/1064527989.db2.gz WDDMVWXULKBPHV-UHFFFAOYSA-N 0 0 450.539 4.853 20 0 JJADRN Cn1nc(Cl)c(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)c1Cl ZINC001435122235 1064528077 /nfs/dbraw/zinc/52/80/77/1064528077.db2.gz XZWGKOQYKMZRGK-UHFFFAOYSA-N 0 0 452.725 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1Cc1ccccc1OC(C)C ZINC001359841504 1064528238 /nfs/dbraw/zinc/52/82/38/1064528238.db2.gz QIAZPEYQPOEIGU-UHFFFAOYSA-N 0 0 466.605 4.563 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCCc1c[nH]c2ccccc12 ZINC001359841643 1064528958 /nfs/dbraw/zinc/52/89/58/1064528958.db2.gz WYSSRPXZWWDYJF-UHFFFAOYSA-N 0 0 462.564 4.665 20 0 JJADRN C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC001359842273 1064529136 /nfs/dbraw/zinc/52/91/36/1064529136.db2.gz VSLOHEHYSJDHPF-CYBMUJFWSA-N 0 0 451.386 4.845 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC001435122921 1064529239 /nfs/dbraw/zinc/52/92/39/1064529239.db2.gz DMTQDWJWDDIMCU-PKTZIBPZSA-N 0 0 454.567 4.500 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC001435123799 1064529867 /nfs/dbraw/zinc/52/98/67/1064529867.db2.gz NHOKIORIPMYCPV-WOJBJXKFSA-N 0 0 452.473 4.932 20 0 JJADRN CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC001435124082 1064530127 /nfs/dbraw/zinc/53/01/27/1064530127.db2.gz BEQFEAGVKWDFKD-QFIPXVFZSA-N 0 0 457.412 4.926 20 0 JJADRN CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC001435124081 1064530188 /nfs/dbraw/zinc/53/01/88/1064530188.db2.gz BEQFEAGVKWDFKD-JOCHJYFZSA-N 0 0 457.412 4.926 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)cc1OC ZINC001435124419 1064530238 /nfs/dbraw/zinc/53/02/38/1064530238.db2.gz ZJAZTWSTKDFRGI-LJQANCHMSA-N 0 0 454.567 4.676 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001359844926 1064530532 /nfs/dbraw/zinc/53/05/32/1064530532.db2.gz FCUKMZMQNHXWAG-ZWKOTPCHSA-N 0 0 455.744 4.874 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359844216 1064530734 /nfs/dbraw/zinc/53/07/34/1064530734.db2.gz NYUINDJOJMJLOW-MRXNPFEDSA-N 0 0 483.966 4.667 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001435124728 1064530866 /nfs/dbraw/zinc/53/08/66/1064530866.db2.gz ALDJQVKLNJSVAL-UHFFFAOYSA-N 0 0 458.486 4.540 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2c(Br)cnn2CC)cc1 ZINC001435124975 1064530895 /nfs/dbraw/zinc/53/08/95/1064530895.db2.gz VULOVPURXGJCTR-OALUTQOASA-N 0 0 450.377 4.574 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC001435125763 1064531149 /nfs/dbraw/zinc/53/11/49/1064531149.db2.gz NDGFGPFITSYOND-UHFFFAOYSA-N 0 0 452.414 4.647 20 0 JJADRN COc1cncc(C(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)c1C ZINC001359845628 1064531272 /nfs/dbraw/zinc/53/12/72/1064531272.db2.gz WCDYPVSMTMHCJO-UHFFFAOYSA-N 0 0 456.292 4.737 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001435125372 1064531349 /nfs/dbraw/zinc/53/13/49/1064531349.db2.gz GPROILBWSJMELM-RBUKOAKNSA-N 0 0 463.452 4.959 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cnn(-c3nc(CC)cs3)c2)cc1 ZINC001435125278 1064531387 /nfs/dbraw/zinc/53/13/87/1064531387.db2.gz XMFWCBYRUUPLLJ-VXKWHMMOSA-N 0 0 454.596 4.800 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001359845674 1064531403 /nfs/dbraw/zinc/53/14/03/1064531403.db2.gz YQTCGZBMJKRTCD-UHFFFAOYSA-N 0 0 456.867 4.805 20 0 JJADRN CCN(C(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125932 1064531855 /nfs/dbraw/zinc/53/18/55/1064531855.db2.gz UQIMDBSJFIENMP-HZPDHXFCSA-N 0 0 457.514 4.734 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359846468 1064532256 /nfs/dbraw/zinc/53/22/56/1064532256.db2.gz ZEPURTCOFWXFFE-UHFFFAOYSA-N 0 0 495.565 4.912 20 0 JJADRN Cc1ccc(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC001435126307 1064532261 /nfs/dbraw/zinc/53/22/61/1064532261.db2.gz MXHAXANWIAUDSC-SANMLTNESA-N 0 0 451.567 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001359846489 1064532459 /nfs/dbraw/zinc/53/24/59/1064532459.db2.gz ZTTDEIJWANONRG-LJQANCHMSA-N 0 0 469.630 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001359846988 1064532825 /nfs/dbraw/zinc/53/28/25/1064532825.db2.gz MTJKXDXDOIUPQP-MRXNPFEDSA-N 0 0 497.562 4.711 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCOC1CCCCC1 ZINC001359846910 1064532837 /nfs/dbraw/zinc/53/28/37/1064532837.db2.gz KLJGKGBOTBVGIZ-HXUWFJFHSA-N 0 0 463.667 4.662 20 0 JJADRN O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001435127113 1064532938 /nfs/dbraw/zinc/53/29/38/1064532938.db2.gz FJTITRYTXVDPDB-UHFFFAOYSA-N 0 0 452.786 4.755 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)Cc2cc(F)ccc2Br)cc1OC ZINC001435127938 1064533329 /nfs/dbraw/zinc/53/33/29/1064533329.db2.gz JXMLTEHNQYMBJU-UHFFFAOYSA-N 0 0 452.364 4.875 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccccc1N1CCCCC1 ZINC001359848914 1064534657 /nfs/dbraw/zinc/53/46/57/1064534657.db2.gz DOUFIZCEBDIOPD-HXUWFJFHSA-N 0 0 478.607 4.588 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC1(O)CCCCCC1 ZINC001359849038 1064535325 /nfs/dbraw/zinc/53/53/25/1064535325.db2.gz GOJCAWSTSOEEAM-FQEVSTJZSA-N 0 0 475.628 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359849609 1064535913 /nfs/dbraw/zinc/53/59/13/1064535913.db2.gz MFJDDIUDDHHVSQ-GOSISDBHSA-N 0 0 475.062 4.549 20 0 JJADRN CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)c1cc(Cl)cc(Cl)c1 ZINC001435131245 1064536031 /nfs/dbraw/zinc/53/60/31/1064536031.db2.gz OAHMFDYPNLXGMF-UHFFFAOYSA-N 0 0 455.139 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC(F)(F)Br ZINC001359849976 1064536249 /nfs/dbraw/zinc/53/62/49/1064536249.db2.gz NPVCUKSVQSNYHW-AWEZNQCLSA-N 0 0 492.359 4.626 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359850439 1064536534 /nfs/dbraw/zinc/53/65/34/1064536534.db2.gz SXHOAVBGTOYHHV-ILBGXUMGSA-N 0 0 497.684 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1coc(-c2cccs2)n1 ZINC001359850264 1064536753 /nfs/dbraw/zinc/53/67/53/1064536753.db2.gz PYXWSJDPFCFEAL-QGZVFWFLSA-N 0 0 486.642 4.687 20 0 JJADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1 ZINC001435131757 1064536770 /nfs/dbraw/zinc/53/67/70/1064536770.db2.gz UKTWBQVKGKFSSU-FLIBITNWSA-N 0 0 457.502 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359850580 1064537202 /nfs/dbraw/zinc/53/72/02/1064537202.db2.gz UJOJDAAOUAFGKI-KRWDZBQOSA-N 0 0 478.588 4.883 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c1 ZINC001435132549 1064537232 /nfs/dbraw/zinc/53/72/32/1064537232.db2.gz BOERQUOWEZYPQP-UHFFFAOYSA-N 0 0 454.935 4.778 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1=O ZINC001435133668 1064537650 /nfs/dbraw/zinc/53/76/50/1064537650.db2.gz JJYZNXBJEKSQCK-QUCCMNQESA-N 0 0 456.608 4.515 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)NCCC(=O)Nc2ccc(Br)cc2C)ccc1Cl ZINC001359851066 1064537762 /nfs/dbraw/zinc/53/77/62/1064537762.db2.gz BNHJBBNJOJXNBT-CQSZACIVSA-N 0 0 453.764 4.632 20 0 JJADRN C[C@@H](NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)c1ccc(F)c(Br)c1 ZINC001435134036 1064537817 /nfs/dbraw/zinc/53/78/17/1064537817.db2.gz KKAGGWFFRUWWPQ-CYBMUJFWSA-N 0 0 452.320 4.800 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cc(-c3ccncc3)ccc2C)C1 ZINC001359851091 1064538464 /nfs/dbraw/zinc/53/84/64/1064538464.db2.gz COHSAKOUOFAUPL-HOFKKMOUSA-N 0 0 459.546 4.812 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359851836 1064539013 /nfs/dbraw/zinc/53/90/13/1064539013.db2.gz GEEQGEJPNZJBPD-UHFFFAOYSA-N 0 0 482.551 4.660 20 0 JJADRN Cc1ccc(-n2nc(C(=O)Nc3cccc(CS(=O)(=O)C(C)C)c3)c3c2CCC3)c(C)c1 ZINC001435135713 1064539306 /nfs/dbraw/zinc/53/93/06/1064539306.db2.gz SEAATWUPQAQNBP-UHFFFAOYSA-N 0 0 451.592 4.553 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1Cc1cc(Br)cs1 ZINC001359852338 1064539562 /nfs/dbraw/zinc/53/95/62/1064539562.db2.gz LSJPZHHEYAIKTD-UHFFFAOYSA-N 0 0 495.878 4.724 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@@H](c3oc4ccccc4c3C)C(C)C)CC2=O)c(OC)c1 ZINC001435137804 1064539997 /nfs/dbraw/zinc/53/99/97/1064539997.db2.gz LXAGUZSHIMKNPG-BXKMTCNYSA-N 0 0 450.535 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359852823 1064540194 /nfs/dbraw/zinc/54/01/94/1064540194.db2.gz WIOWXYKRDMKMQA-UHFFFAOYSA-N 0 0 497.091 4.572 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001435138486 1064540296 /nfs/dbraw/zinc/54/02/96/1064540296.db2.gz STJBPFHJZBNXCN-SFTDATJTSA-N 0 0 456.533 4.682 20 0 JJADRN Cc1c(Br)cccc1C(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C ZINC001435138298 1064540423 /nfs/dbraw/zinc/54/04/23/1064540423.db2.gz GCTCYVYQNYZHDL-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cccs3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359853197 1064540833 /nfs/dbraw/zinc/54/08/33/1064540833.db2.gz DXEPXQIZXYKOSV-UHFFFAOYSA-N 0 0 493.599 4.992 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001435139808 1064541000 /nfs/dbraw/zinc/54/10/00/1064541000.db2.gz PYNKRDDCWGSJEX-ISKFKSNPSA-N 0 0 457.592 4.526 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)CCCc2ccccc2)c1 ZINC001435139091 1064541054 /nfs/dbraw/zinc/54/10/54/1064541054.db2.gz SNRDLPZPPYWECS-HSZRJFAPSA-N 0 0 450.579 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001359853917 1064541421 /nfs/dbraw/zinc/54/14/21/1064541421.db2.gz PGPVNWILGHXGKZ-RDJZCZTQSA-N 0 0 455.409 4.643 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)cc1 ZINC001435141369 1064541371 /nfs/dbraw/zinc/54/13/71/1064541371.db2.gz ZPEIGYZTOBDWPY-NRFANRHFSA-N 0 0 451.567 4.520 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCCO[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC001435140827 1064541399 /nfs/dbraw/zinc/54/13/99/1064541399.db2.gz BGFFTBAKVISRDS-QPTUXGOLSA-N 0 0 458.643 4.589 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435140727 1064541549 /nfs/dbraw/zinc/54/15/49/1064541549.db2.gz GCLMLOUDNCHSGE-CPJSRVTESA-N 0 0 457.574 4.641 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359854724 1064541714 /nfs/dbraw/zinc/54/17/14/1064541714.db2.gz ZFONENJIJLJPRM-HXUWFJFHSA-N 0 0 475.632 4.932 20 0 JJADRN COc1cc(Br)c(CNC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)cc1OC ZINC001359854315 1064541977 /nfs/dbraw/zinc/54/19/77/1064541977.db2.gz KPIISGZURVSGID-IBGZPJMESA-N 0 0 456.764 4.840 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC001435141478 1064541860 /nfs/dbraw/zinc/54/18/60/1064541860.db2.gz CSPLIWOTEHQRIQ-CXUHLZMHSA-N 0 0 454.570 4.930 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC001435142065 1064542444 /nfs/dbraw/zinc/54/24/44/1064542444.db2.gz JJFAAKAVGXKFBE-NRFANRHFSA-N 0 0 452.620 4.538 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC001435142282 1064542669 /nfs/dbraw/zinc/54/26/69/1064542669.db2.gz HDCXMLWZJKUFKT-LIRRHRJNSA-N 0 0 451.455 4.746 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)CC2)cc1 ZINC001435142853 1064543004 /nfs/dbraw/zinc/54/30/04/1064543004.db2.gz MKBVPUQURPCCBF-YKSBVNFPSA-N 0 0 454.636 4.615 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC001435142616 1064543073 /nfs/dbraw/zinc/54/30/73/1064543073.db2.gz KQJZKLRIPKPBLH-GOSISDBHSA-N 0 0 452.938 4.660 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC001435142938 1064543140 /nfs/dbraw/zinc/54/31/40/1064543140.db2.gz LCUIAVXBQBVDTE-VWLOTQADSA-N 0 0 452.549 4.985 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1C ZINC001359856091 1064543348 /nfs/dbraw/zinc/54/33/48/1064543348.db2.gz FVJWSPDIWZQROY-HXUWFJFHSA-N 0 0 456.468 4.505 20 0 JJADRN COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1OC(F)F ZINC001435143102 1064543625 /nfs/dbraw/zinc/54/36/25/1064543625.db2.gz NDWDAZRYVRNFHP-UHFFFAOYSA-N 0 0 454.514 4.692 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1 ZINC001435142950 1064543657 /nfs/dbraw/zinc/54/36/57/1064543657.db2.gz LLVUOTKUWLFTRU-QGZVFWFLSA-N 0 0 459.432 4.749 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 ZINC001435143691 1064544141 /nfs/dbraw/zinc/54/41/41/1064544141.db2.gz YFTMTSYIOXUEAD-JGCGQSQUSA-N 0 0 458.465 4.672 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001435143509 1064544344 /nfs/dbraw/zinc/54/43/44/1064544344.db2.gz PTDBUGAJUPXSTD-UHFFFAOYSA-N 0 0 451.539 4.868 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC001435144017 1064544709 /nfs/dbraw/zinc/54/47/09/1064544709.db2.gz QDCBYXOUSMUMCO-FQEVSTJZSA-N 0 0 455.318 4.704 20 0 JJADRN CCN(C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858190 1064545277 /nfs/dbraw/zinc/54/52/77/1064545277.db2.gz JLFOLSYQTKGQOX-MHZLTWQESA-N 0 0 457.578 4.751 20 0 JJADRN CCN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858316 1064545987 /nfs/dbraw/zinc/54/59/87/1064545987.db2.gz KMJJWBPVZFYHQH-JOCHJYFZSA-N 0 0 455.436 4.707 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC001435145954 1064546347 /nfs/dbraw/zinc/54/63/47/1064546347.db2.gz ZZYZDWUBSPKKEL-FQEVSTJZSA-N 0 0 455.318 4.704 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC001435147915 1064547932 /nfs/dbraw/zinc/54/79/32/1064547932.db2.gz GXZYCSODPDOYCZ-HSZRJFAPSA-N 0 0 459.619 4.909 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1ccc(Br)cc1Br)c1ccccc1 ZINC001435147874 1064548241 /nfs/dbraw/zinc/54/82/41/1064548241.db2.gz HIOIIWJOORRIGG-MRXNPFEDSA-N 0 0 455.146 4.810 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001435148186 1064548823 /nfs/dbraw/zinc/54/88/23/1064548823.db2.gz KEHDAKZAUNWFNI-UWJYYQICSA-N 0 0 455.345 4.917 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC001435149377 1064549129 /nfs/dbraw/zinc/54/91/29/1064549129.db2.gz IQFNKEJKEJLNLJ-UHFFFAOYSA-N 0 0 459.571 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359860525 1064549307 /nfs/dbraw/zinc/54/93/07/1064549307.db2.gz IQCQSAUGFTYTKA-RUZDIDTESA-N 0 0 464.633 4.773 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001435149750 1064549877 /nfs/dbraw/zinc/54/98/77/1064549877.db2.gz OSVHRXFNOZRJEX-MRXNPFEDSA-N 0 0 453.892 4.962 20 0 JJADRN Cc1cc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c2nccn2c1 ZINC001435149601 1064549931 /nfs/dbraw/zinc/54/99/31/1064549931.db2.gz UPJOIDVCTQHCFK-UHFFFAOYSA-N 0 0 452.530 4.828 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001359860974 1064550058 /nfs/dbraw/zinc/55/00/58/1064550058.db2.gz VGCYZJZIIVFGAC-FKTZTGRPSA-N 0 0 456.068 4.674 20 0 JJADRN Cn1nc(-c2ccncc2)cc1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001435150364 1064550404 /nfs/dbraw/zinc/55/04/04/1064550404.db2.gz XTRHPHVKEKHYAD-UHFFFAOYSA-N 0 0 453.424 4.618 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)[C@H](C)Cc3ccc(OC(F)(F)F)cc3)sc21 ZINC001435151326 1064550994 /nfs/dbraw/zinc/55/09/94/1064550994.db2.gz ZIHSFUIPVFMHPN-SNVBAGLBSA-N 0 0 453.442 4.502 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C ZINC001435152204 1064551581 /nfs/dbraw/zinc/55/15/81/1064551581.db2.gz LEHZPXZLSBWJHV-UHFFFAOYSA-N 0 0 450.560 4.847 20 0 JJADRN COc1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)c(OC(F)F)c1 ZINC001435152626 1064551692 /nfs/dbraw/zinc/55/16/92/1064551692.db2.gz LBBIMSWVNRWQTG-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN COc1ccc(COC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)c(OC(F)F)c1 ZINC001435153698 1064552275 /nfs/dbraw/zinc/55/22/75/1064552275.db2.gz WWUMDZJIPHKBBG-IBGZPJMESA-N 0 0 451.466 4.681 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1cccc(CSC)c1)C2 ZINC001359861827 1064552768 /nfs/dbraw/zinc/55/27/68/1064552768.db2.gz JKENKADKCKSWPK-LJQANCHMSA-N 0 0 458.580 4.872 20 0 JJADRN CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c2ccccc2n1 ZINC001435155808 1064553115 /nfs/dbraw/zinc/55/31/15/1064553115.db2.gz MBXXYXTVMWXXDO-NRFANRHFSA-N 0 0 453.489 4.885 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C ZINC001359862584 1064553552 /nfs/dbraw/zinc/55/35/52/1064553552.db2.gz XBOPRXZCCTWCJO-UHFFFAOYSA-N 0 0 454.296 4.900 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)c1cncc(-n2ccnn2)c1 ZINC001435156427 1064553609 /nfs/dbraw/zinc/55/36/09/1064553609.db2.gz RFRGKZZRZVCIJI-UHFFFAOYSA-N 0 0 455.562 4.829 20 0 JJADRN C[C@H](CCc1cccn1C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001435157979 1064554669 /nfs/dbraw/zinc/55/46/69/1064554669.db2.gz MXIFKPCCHSCSCL-QGZVFWFLSA-N 0 0 455.484 4.771 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001435158091 1064554797 /nfs/dbraw/zinc/55/47/97/1064554797.db2.gz ZAIKNXYXFHLTFH-PKTZIBPZSA-N 0 0 465.512 4.886 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC001435158683 1064555382 /nfs/dbraw/zinc/55/53/82/1064555382.db2.gz UBMHAJZVVXIGEQ-SSEXGKCCSA-N 0 0 455.601 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359865627 1064555966 /nfs/dbraw/zinc/55/59/66/1064555966.db2.gz GUMXKOLQXVJTMF-YLJYHZDGSA-N 0 0 478.037 4.621 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001359865929 1064556402 /nfs/dbraw/zinc/55/64/02/1064556402.db2.gz KVGNFRUOWWGXEU-HYBUGGRVSA-N 0 0 491.474 4.758 20 0 JJADRN CCCc1ccc(CCCC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 ZINC001359865857 1064556606 /nfs/dbraw/zinc/55/66/06/1064556606.db2.gz RIWPFNBOPHKAJR-UHFFFAOYSA-N 0 0 456.652 4.541 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001359866176 1064556806 /nfs/dbraw/zinc/55/68/06/1064556806.db2.gz NPDAXFJIOGFNLW-WFXMLNOXSA-N 0 0 477.447 4.632 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435161942 1064557921 /nfs/dbraw/zinc/55/79/21/1064557921.db2.gz PJJAQJSXKQDNDP-NUJGCVRESA-N 0 0 453.396 4.773 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCCOC(F)(F)F ZINC001359867518 1064559245 /nfs/dbraw/zinc/55/92/45/1064559245.db2.gz BTNSSCZFCOJKRJ-KRWDZBQOSA-N 0 0 464.891 4.774 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001359866979 1064559281 /nfs/dbraw/zinc/55/92/81/1064559281.db2.gz GOMPUOCKQRRYEO-QXMHVHEDSA-N 0 0 456.945 4.798 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)Cc2cccc(I)c2)c2ccccn2)cc1 ZINC001435163082 1064559569 /nfs/dbraw/zinc/55/95/69/1064559569.db2.gz WMDBNRAXFZNXOM-OAQYLSRUSA-N 0 0 456.327 4.637 20 0 JJADRN CCCn1cc(C(=O)N[C@@H](CC)c2ccccc2OCc2ccccc2Br)nn1 ZINC001435163764 1064559903 /nfs/dbraw/zinc/55/99/03/1064559903.db2.gz KWWAOSBUEOIADE-IBGZPJMESA-N 0 0 457.372 4.911 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359868205 1064560022 /nfs/dbraw/zinc/56/00/22/1064560022.db2.gz IRAKPJPXLIAIPK-YLJYHZDGSA-N 0 0 456.566 4.504 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)nc1C ZINC001359868228 1064560283 /nfs/dbraw/zinc/56/02/83/1064560283.db2.gz JVOKHTLOGWFXMS-UHFFFAOYSA-N 0 0 453.351 4.706 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)CCc2cc(Br)c(Br)s2)cc1 ZINC001435164705 1064560627 /nfs/dbraw/zinc/56/06/27/1064560627.db2.gz BXBFYUAKCZQYKV-OAQYLSRUSA-N 0 0 451.205 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1nccc(C(F)F)n1 ZINC001359868704 1064560680 /nfs/dbraw/zinc/56/06/80/1064560680.db2.gz MZJZCFGCWILXSG-INIZCTEOSA-N 0 0 491.612 4.584 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359868945 1064561123 /nfs/dbraw/zinc/56/11/23/1064561123.db2.gz PQTMCDNYBUPRQZ-FQEVSTJZSA-N 0 0 478.037 4.575 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359869116 1064561251 /nfs/dbraw/zinc/56/12/51/1064561251.db2.gz RVDPSDCDFOFFPW-LJQANCHMSA-N 0 0 474.556 4.721 20 0 JJADRN O=C(NCCCNC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cccc(F)c1 ZINC001435165042 1064561258 /nfs/dbraw/zinc/56/12/58/1064561258.db2.gz GQQFBSAUVKCQDO-JOCHJYFZSA-N 0 0 458.892 4.675 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC001435166196 1064562185 /nfs/dbraw/zinc/56/21/85/1064562185.db2.gz UXPAAHAWIMOACP-UHFFFAOYSA-N 0 0 452.979 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001359869513 1064562152 /nfs/dbraw/zinc/56/21/52/1064562152.db2.gz ZVGXKUQABUELCZ-NRFANRHFSA-N 0 0 493.599 4.638 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)ccc1OCc1cscn1 ZINC001435167483 1064562971 /nfs/dbraw/zinc/56/29/71/1064562971.db2.gz CRPVYMDLSRANLG-GDLZYMKVSA-N 0 0 450.969 4.515 20 0 JJADRN COc1cc(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc(Cl)c1OCCC(C)C ZINC001435167656 1064563026 /nfs/dbraw/zinc/56/30/26/1064563026.db2.gz HGCHVYPKPSEEIP-UHFFFAOYSA-N 0 0 458.942 4.988 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)O[C@H](C)C2 ZINC001435167553 1064563221 /nfs/dbraw/zinc/56/32/21/1064563221.db2.gz FNWZPPHBILGYJZ-BUVFEPMLSA-N 0 0 452.551 4.786 20 0 JJADRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cn1)c1cc(F)ccc1I ZINC001359871731 1064563164 /nfs/dbraw/zinc/56/31/64/1064563164.db2.gz POWIBKZCBOELOA-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC001435167889 1064563536 /nfs/dbraw/zinc/56/35/36/1064563536.db2.gz IQXLFPHHIDFDHJ-SFHVURJKSA-N 0 0 450.922 4.810 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1 ZINC001435168021 1064563633 /nfs/dbraw/zinc/56/36/33/1064563633.db2.gz AAFYOBBMUNVTBU-GDLZYMKVSA-N 0 0 452.711 4.957 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F ZINC001359872904 1064563767 /nfs/dbraw/zinc/56/37/67/1064563767.db2.gz OXLWTVFGYCOHQY-QFIPXVFZSA-N 0 0 456.420 4.529 20 0 JJADRN COCc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)n1 ZINC001435168462 1064564154 /nfs/dbraw/zinc/56/41/54/1064564154.db2.gz IZDLALXUQWBTAW-UHFFFAOYSA-N 0 0 450.364 4.765 20 0 JJADRN CC(C)Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CCCNC(=O)OC(C)(C)C ZINC001359873502 1064564383 /nfs/dbraw/zinc/56/43/83/1064564383.db2.gz MNKFASXARMLFID-UHFFFAOYSA-N 0 0 484.670 4.985 20 0 JJADRN CCOc1ccc(N(C(=O)c2cn(C(C)C)nc2C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359874593 1064564830 /nfs/dbraw/zinc/56/48/30/1064564830.db2.gz BIJKKIJCYUSABJ-UHFFFAOYSA-N 0 0 452.521 4.845 20 0 JJADRN CC(C)Cc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCc1ccccc1C(F)(F)F ZINC001359874103 1064564862 /nfs/dbraw/zinc/56/48/62/1064564862.db2.gz QRWJNMBWXPIFNS-FQEVSTJZSA-N 0 0 450.549 4.991 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C(C)C)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001359874387 1064564930 /nfs/dbraw/zinc/56/49/30/1064564930.db2.gz VFPSJFWRBZOBRM-QFIPXVFZSA-N 0 0 467.639 4.948 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1csc(-c2ccccc2F)n1 ZINC001435170444 1064565244 /nfs/dbraw/zinc/56/52/44/1064565244.db2.gz IGIZOTJEBRSDBM-ZDUSSCGKSA-N 0 0 451.445 4.857 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1C(F)(F)F ZINC001435170282 1064565265 /nfs/dbraw/zinc/56/52/65/1064565265.db2.gz PCSPTQGBPWZFNU-SSEXGKCCSA-N 0 0 455.889 4.984 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)ccc1C ZINC001359874856 1064565531 /nfs/dbraw/zinc/56/55/31/1064565531.db2.gz DVSMOLLZYCDMHQ-UHFFFAOYSA-N 0 0 457.527 4.604 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cn2)c1C ZINC001435171152 1064565689 /nfs/dbraw/zinc/56/56/89/1064565689.db2.gz VANMJCVBKBGPCH-UHFFFAOYSA-N 0 0 450.560 4.782 20 0 JJADRN CCOc1ccc(N(C(=O)CCc2scnc2C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359875629 1064565845 /nfs/dbraw/zinc/56/58/45/1064565845.db2.gz PXMPUELVVNGCOJ-UHFFFAOYSA-N 0 0 455.546 4.843 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)cc1 ZINC001359875546 1064565995 /nfs/dbraw/zinc/56/59/95/1064565995.db2.gz LRXRHNPUYVIXHX-FCHUYYIVSA-N 0 0 471.621 4.598 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 ZINC001435171543 1064566404 /nfs/dbraw/zinc/56/64/04/1064566404.db2.gz WTXCEOPZDUZBSN-UHFFFAOYSA-N 0 0 450.560 4.784 20 0 JJADRN CN(CCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cn1)C(=O)OC(C)(C)C ZINC001359876231 1064566494 /nfs/dbraw/zinc/56/64/94/1064566494.db2.gz VWJJXSMDKSUNGO-UHFFFAOYSA-N 0 0 454.571 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)CC3CC(c4ccccc4)C3)nc2)CC1 ZINC001359876310 1064566580 /nfs/dbraw/zinc/56/65/80/1064566580.db2.gz XENTWZVHACMOPD-UHFFFAOYSA-N 0 0 450.583 4.661 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001359876844 1064567212 /nfs/dbraw/zinc/56/72/12/1064567212.db2.gz IRCMPVPPUIJSIW-DENIHFKCSA-N 0 0 489.636 4.887 20 0 JJADRN COc1ccc(COCC(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)cn1 ZINC001435173168 1064567339 /nfs/dbraw/zinc/56/73/39/1064567339.db2.gz CUVYJSUHIUBOAI-UHFFFAOYSA-N 0 0 450.926 4.605 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(OCc2cccnc2)c1 ZINC001435172834 1064567458 /nfs/dbraw/zinc/56/74/58/1064567458.db2.gz PLLVNZXBQDUGSE-IBGZPJMESA-N 0 0 457.452 4.568 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1Cl ZINC001435173528 1064567508 /nfs/dbraw/zinc/56/75/08/1064567508.db2.gz HDLOVYGFRUYGEU-GOSISDBHSA-N 0 0 451.748 4.665 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)cc2)no1 ZINC001435173876 1064567621 /nfs/dbraw/zinc/56/76/21/1064567621.db2.gz UUVUWBBCONWTEK-YTTGMZPUSA-N 0 0 453.564 4.791 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001435173799 1064567863 /nfs/dbraw/zinc/56/78/63/1064567863.db2.gz UKNLZRXBZCQKOT-INIZCTEOSA-N 0 0 452.473 4.536 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)C1 ZINC001359877868 1064568350 /nfs/dbraw/zinc/56/83/50/1064568350.db2.gz DWOOYOYBTCAISP-GJZUVCINSA-N 0 0 458.622 4.963 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359877711 1064568464 /nfs/dbraw/zinc/56/84/64/1064568464.db2.gz DCAZKDBAZFVTTR-YUCISJLTSA-N 0 0 462.635 4.731 20 0 JJADRN COc1cccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1OC(C)C ZINC001435175001 1064569015 /nfs/dbraw/zinc/56/90/15/1064569015.db2.gz ZJADRKXKPAEPRB-UHFFFAOYSA-N 0 0 453.560 4.850 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359878180 1064569040 /nfs/dbraw/zinc/56/90/40/1064569040.db2.gz HDXBXIFHDOPJOW-HBMCJLEFSA-N 0 0 476.065 4.665 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001359878367 1064569404 /nfs/dbraw/zinc/56/94/04/1064569404.db2.gz IBPZZNQGLPTNIR-KBMIEXCESA-N 0 0 475.703 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC001435177558 1064570586 /nfs/dbraw/zinc/57/05/86/1064570586.db2.gz KWTIQFSAKPKVQX-NHYWBVRUSA-N 0 0 454.848 4.815 20 0 JJADRN O=C(NCCCNC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(F)cc1 ZINC001435177814 1064570908 /nfs/dbraw/zinc/57/09/08/1064570908.db2.gz ITBUCVFNAXKUQQ-QFIPXVFZSA-N 0 0 458.892 4.675 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(=O)C2CCC2)C1 ZINC001359879225 1064571393 /nfs/dbraw/zinc/57/13/93/1064571393.db2.gz 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COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001435182204 1064573256 /nfs/dbraw/zinc/57/32/56/1064573256.db2.gz CMGQBMTUOBCMCI-INIZCTEOSA-N 0 0 459.589 4.971 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)Cc1csc(-c2cccc(F)c2)n1)C1CC1 ZINC001359879837 1064573246 /nfs/dbraw/zinc/57/32/46/1064573246.db2.gz FUGUXNRLKOBIBG-JOCHJYFZSA-N 0 0 452.551 4.657 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)C1 ZINC001359879640 1064573387 /nfs/dbraw/zinc/57/33/87/1064573387.db2.gz ZKMJZSIVULUIKE-AWEZNQCLSA-N 0 0 460.367 4.580 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)Cc1csc(-c2cccc(F)c2)n1)C1CC1 ZINC001359879838 1064573474 /nfs/dbraw/zinc/57/34/74/1064573474.db2.gz FUGUXNRLKOBIBG-QFIPXVFZSA-N 0 0 452.551 4.657 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)ccn2)CC1 ZINC001435182614 1064573592 /nfs/dbraw/zinc/57/35/92/1064573592.db2.gz DSIOCZAAYPYMGK-UHFFFAOYSA-N 0 0 455.452 4.643 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC001435184095 1064574120 /nfs/dbraw/zinc/57/41/20/1064574120.db2.gz IKLLGEGTCFNIAT-OAQYLSRUSA-N 0 0 452.646 4.627 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1csc(Cc2ccc(F)cc2)n1)C1CC1 ZINC001359881092 1064574258 /nfs/dbraw/zinc/57/42/58/1064574258.db2.gz RTODHRFLTCCLFU-JOCHJYFZSA-N 0 0 452.551 4.652 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)C1 ZINC001359881040 1064574362 /nfs/dbraw/zinc/57/43/62/1064574362.db2.gz LUUNNCDSRNGCNY-INIZCTEOSA-N 0 0 454.493 4.515 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1 ZINC001435185121 1064574545 /nfs/dbraw/zinc/57/45/45/1064574545.db2.gz NBFUXXFUVHZJPA-UHFFFAOYSA-N 0 0 453.593 4.848 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435184824 1064574581 /nfs/dbraw/zinc/57/45/81/1064574581.db2.gz KXBCZPSZTFGVCK-NRFANRHFSA-N 0 0 454.493 4.560 20 0 JJADRN C[C@]1(C(=O)NCCCO[C@H]2CCCc3ccccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001435185971 1064574963 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CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)C1 ZINC001359883240 1064577833 /nfs/dbraw/zinc/57/78/33/1064577833.db2.gz HIFHGBMMUIGQSB-FSSWDIPSSA-N 0 0 475.678 4.692 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001435188623 1064577955 /nfs/dbraw/zinc/57/79/55/1064577955.db2.gz ALTRYVAIPJCCCY-MRXNPFEDSA-N 0 0 455.352 4.644 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)s2)cc1 ZINC001435189151 1064578642 /nfs/dbraw/zinc/57/86/42/1064578642.db2.gz PNIMIRLRNWSHQO-OAHLLOKOSA-N 0 0 458.605 4.800 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)CCc1cccc(F)c1Br ZINC001359884167 1064578804 /nfs/dbraw/zinc/57/88/04/1064578804.db2.gz VRPNLPXFVPGZIQ-UHFFFAOYSA-N 0 0 458.125 4.880 20 0 JJADRN Cc1ccc([C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435189506 1064579072 /nfs/dbraw/zinc/57/90/72/1064579072.db2.gz DFKYBGOUEVBTGX-DEOSSOPVSA-N 0 0 459.970 4.948 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001435190134 1064579476 /nfs/dbraw/zinc/57/94/76/1064579476.db2.gz GHVGPBDUCXLWOC-GDAAHCPNSA-N 0 0 456.505 4.888 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)C1 ZINC001359885106 1064579765 /nfs/dbraw/zinc/57/97/65/1064579765.db2.gz VOZJLCKUABIHJE-IRLDBZIGSA-N 0 0 473.662 4.610 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001435191583 1064580602 /nfs/dbraw/zinc/58/06/02/1064580602.db2.gz QIWPKTGJBVHTOS-INIZCTEOSA-N 0 0 457.759 4.568 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cnc(CC3CC3)s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435191365 1064580666 /nfs/dbraw/zinc/58/06/66/1064580666.db2.gz KWOXARZBNFQPLI-QHCPKHFHSA-N 0 0 454.617 4.635 20 0 JJADRN COC(=O)Cc1csc(N(C)C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1 ZINC001435192188 1064580991 /nfs/dbraw/zinc/58/09/91/1064580991.db2.gz ANTAFGJSDPREQS-UHFFFAOYSA-N 0 0 452.319 4.629 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359885743 1064581307 /nfs/dbraw/zinc/58/13/07/1064581307.db2.gz FNZNKEOHKARHQA-LEWJYISDSA-N 0 0 495.672 4.550 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359885747 1064581420 /nfs/dbraw/zinc/58/14/20/1064581420.db2.gz FNZNKEOHKARHQA-SFTDATJTSA-N 0 0 495.672 4.550 20 0 JJADRN Cc1c(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435192946 1064581960 /nfs/dbraw/zinc/58/19/60/1064581960.db2.gz TZGQKGHNHQTMFS-IIBYNOLFSA-N 0 0 458.484 4.564 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cnn1-c1ccccc1Cl ZINC001435192994 1064582000 /nfs/dbraw/zinc/58/20/00/1064582000.db2.gz WFLWCXMZUMVWRT-HNNXBMFYSA-N 0 0 459.775 4.605 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc12 ZINC001435194233 1064582368 /nfs/dbraw/zinc/58/23/68/1064582368.db2.gz INJSAGHLGXTJBK-KRWDZBQOSA-N 0 0 454.596 4.833 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001359887154 1064582937 /nfs/dbraw/zinc/58/29/37/1064582937.db2.gz SCPPRUZUPJVBCE-JOCHJYFZSA-N 0 0 461.658 4.857 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435194285 1064583085 /nfs/dbraw/zinc/58/30/85/1064583085.db2.gz XNLMNSRANSHHDW-UNMCSNQZSA-N 0 0 451.567 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc21 ZINC001435194556 1064583313 /nfs/dbraw/zinc/58/33/13/1064583313.db2.gz KUWIEEPZTUQBTG-UHFFFAOYSA-N 0 0 454.914 4.618 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C1CC1 ZINC001359887342 1064583378 /nfs/dbraw/zinc/58/33/78/1064583378.db2.gz MHGHDGJPEDZWJC-QHCPKHFHSA-N 0 0 451.954 4.520 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001359887404 1064583523 /nfs/dbraw/zinc/58/35/23/1064583523.db2.gz UTJOFLFSGFYJGT-UXHICEINSA-N 0 0 478.106 4.817 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359887405 1064583573 /nfs/dbraw/zinc/58/35/73/1064583573.db2.gz UTJOFLFSGFYJGT-VQTJNVASSA-N 0 0 478.106 4.817 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359887456 1064583847 /nfs/dbraw/zinc/58/38/47/1064583847.db2.gz VXLHFIPRGDJETK-OALUTQOASA-N 0 0 483.554 4.753 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC001435196051 1064584274 /nfs/dbraw/zinc/58/42/74/1064584274.db2.gz LBKCBXYNWZMDBS-UHFFFAOYSA-N 0 0 456.384 4.800 20 0 JJADRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC001435195917 1064584313 /nfs/dbraw/zinc/58/43/13/1064584313.db2.gz PPLJQGPCYUZOOB-ZWKOTPCHSA-N 0 0 453.633 4.844 20 0 JJADRN O=C(CCNC(=O)c1ccsc1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888016 1064584518 /nfs/dbraw/zinc/58/45/18/1064584518.db2.gz RSNSOFWFBYIWHD-CQSZACIVSA-N 0 0 450.276 4.867 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C1CC1 ZINC001359888229 1064584911 /nfs/dbraw/zinc/58/49/11/1064584911.db2.gz XTBYOLNBXWILLE-QHCPKHFHSA-N 0 0 451.954 4.613 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@H](C)Oc3cccc(C)c3)cc2Br)on1 ZINC001435196849 1064585139 /nfs/dbraw/zinc/58/51/39/1064585139.db2.gz AZYTZTBUKJXSCF-INIZCTEOSA-N 0 0 459.340 4.830 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001435197500 1064585803 /nfs/dbraw/zinc/58/58/03/1064585803.db2.gz QRFVLRPCDBTJOS-BOCKYXSRSA-N 0 0 451.542 4.507 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)c1noc(C)n1 ZINC001435197419 1064585886 /nfs/dbraw/zinc/58/58/86/1064585886.db2.gz FQWXDIHIEKDDFL-FQEVSTJZSA-N 0 0 450.322 4.758 20 0 JJADRN CCN(C)C(=O)c1cccc(OC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001435198128 1064586199 /nfs/dbraw/zinc/58/61/99/1064586199.db2.gz JBQGCBWFRGGIBB-UHFFFAOYSA-N 0 0 456.340 4.563 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3ccn(-c4cccc(Br)c4)n3)cc2)nn1 ZINC001435198390 1064586233 /nfs/dbraw/zinc/58/62/33/1064586233.db2.gz 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JVTHPAZOTHCSFU-AZUAARDMSA-N 0 0 460.022 4.709 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001359902086 1064612880 /nfs/dbraw/zinc/61/28/80/1064612880.db2.gz HYMCHFIPMZWGRH-INIZCTEOSA-N 0 0 460.424 4.589 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(Br)s1 ZINC001435232550 1064612876 /nfs/dbraw/zinc/61/28/76/1064612876.db2.gz QJCOTNWPBOYOMX-ZFWWWQNUSA-N 0 0 451.386 4.561 20 0 JJADRN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)OC(C)(C)C ZINC001435232723 1064613042 /nfs/dbraw/zinc/61/30/42/1064613042.db2.gz FJKOXFPVWHYNEU-UHFFFAOYSA-N 0 0 458.603 4.609 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cccn(C2CC2)c1=O ZINC001435233111 1064614055 /nfs/dbraw/zinc/61/40/55/1064614055.db2.gz MPXBUYFIQDMUMD-LBPRGKRZSA-N 0 0 458.381 4.869 20 0 JJADRN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001435233356 1064614121 /nfs/dbraw/zinc/61/41/21/1064614121.db2.gz OEZCUERNUYNXLL-UHFFFAOYSA-N 0 0 451.470 4.850 20 0 JJADRN CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001359902305 1064614060 /nfs/dbraw/zinc/61/40/60/1064614060.db2.gz MXKGNBNZQYDSFQ-QTEQDKRBSA-N 0 0 476.065 4.665 20 0 JJADRN CSCC[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC001435236060 1064616299 /nfs/dbraw/zinc/61/62/99/1064616299.db2.gz FUMVFQJLDZUUED-YVEFUNNKSA-N 0 0 451.375 4.589 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001359902852 1064616431 /nfs/dbraw/zinc/61/64/31/1064616431.db2.gz VQCZONDYMKUGTR-OAQYLSRUSA-N 0 0 452.386 4.719 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001359903263 1064617178 /nfs/dbraw/zinc/61/71/78/1064617178.db2.gz RUBWJRYXHWEECP-AOMKIAJQSA-N 0 0 451.920 4.679 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1ccc(F)cn1 ZINC001435237787 1064618153 /nfs/dbraw/zinc/61/81/53/1064618153.db2.gz ITEROGFSBNCYFC-UHFFFAOYSA-N 0 0 451.498 4.915 20 0 JJADRN 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CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359933787 1064676178 /nfs/dbraw/zinc/67/61/78/1064676178.db2.gz NBFCHHNOWQOPPV-KRWDZBQOSA-N 0 0 488.423 4.943 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc21 ZINC001435301568 1064676981 /nfs/dbraw/zinc/67/69/81/1064676981.db2.gz IHZNKVSBZVQLHI-LADGPHEKSA-N 0 0 450.579 4.845 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(Br)ncc1Br ZINC001359934296 1064677927 /nfs/dbraw/zinc/67/79/27/1064677927.db2.gz CTIMAZDBVDILND-OAHLLOKOSA-N 0 0 454.162 4.983 20 0 JJADRN CN(C(=O)CCCSc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435303859 1064678343 /nfs/dbraw/zinc/67/83/43/1064678343.db2.gz WRQYFIABFXDGPU-INIZCTEOSA-N 0 0 457.434 4.789 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC001359934966 1064678460 /nfs/dbraw/zinc/67/84/60/1064678460.db2.gz AXIICQMYRUSNHQ-MJGOQNOKSA-N 0 0 453.174 4.791 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC001435304845 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SFYJYIVHCPTGFQ-QFIPXVFZSA-N 0 0 451.567 4.545 20 0 JJADRN CC(C)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001359936593 1064680159 /nfs/dbraw/zinc/68/01/59/1064680159.db2.gz DPWRATFHFXYANA-FQEVSTJZSA-N 0 0 456.388 4.727 20 0 JJADRN O=C(CCNC(=O)c1ccc(F)cc1)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001435306937 1064680944 /nfs/dbraw/zinc/68/09/44/1064680944.db2.gz BQFKMXIJZCLJIL-UHFFFAOYSA-N 0 0 450.476 4.983 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc3ncc(I)n3c2)c1C ZINC001435307657 1064681448 /nfs/dbraw/zinc/68/14/48/1064681448.db2.gz NNYSOVFHUASQMI-SFHVURJKSA-N 0 0 459.331 4.923 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359937913 1064681449 /nfs/dbraw/zinc/68/14/49/1064681449.db2.gz FLPKIKSTDAUCIJ-RTWAWAEBSA-N 0 0 485.677 4.556 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)Cc1nsc2ccccc12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938317 1064681475 /nfs/dbraw/zinc/68/14/75/1064681475.db2.gz LNASUZDEPPFRDS-OSPHWJPCSA-N 0 0 450.608 4.609 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC001359938968 1064682482 /nfs/dbraw/zinc/68/24/82/1064682482.db2.gz SDCRPZJWAOPNOA-UHFFFAOYSA-N 0 0 458.603 4.992 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC001359938588 1064682670 /nfs/dbraw/zinc/68/26/70/1064682670.db2.gz MCVXXHOGWWKXIP-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 ZINC001435308843 1064682706 /nfs/dbraw/zinc/68/27/06/1064682706.db2.gz QJXQSKNKTXNWBL-SDHOMARFSA-N 0 0 452.595 4.920 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001359939532 1064683195 /nfs/dbraw/zinc/68/31/95/1064683195.db2.gz VGTIQYZNXWKBKX-UYAOXDASSA-N 0 0 463.420 4.559 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCOc1ccc(C)c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939522 1064683235 /nfs/dbraw/zinc/68/32/35/1064683235.db2.gz YHHZWDSZOMQCPJ-SIBVEZHUSA-N 0 0 451.611 4.842 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001359939499 1064683305 /nfs/dbraw/zinc/68/33/05/1064683305.db2.gz UYYLQFHATQBCDT-HHHXNRCGSA-N 0 0 480.657 4.923 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC001435309250 1064683455 /nfs/dbraw/zinc/68/34/55/1064683455.db2.gz WFKHARZOLROJAP-AVRDEDQJSA-N 0 0 454.368 4.841 20 0 JJADRN C[C@]1(C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)Oc2ccccc2NC1=O ZINC001435309502 1064684305 /nfs/dbraw/zinc/68/43/05/1064684305.db2.gz ZLGYYGQUFGSOJZ-QHCPKHFHSA-N 0 0 457.404 4.980 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)cc2)cc1 ZINC001435313067 1064685893 /nfs/dbraw/zinc/68/58/93/1064685893.db2.gz KESYWNWGTMKASH-NRFANRHFSA-N 0 0 450.604 4.798 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1 ZINC001435313486 1064685930 /nfs/dbraw/zinc/68/59/30/1064685930.db2.gz PXUCMTXVBUVZNU-YYDVJCTNSA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c(Cc2ccncc2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001359942627 1064686535 /nfs/dbraw/zinc/68/65/35/1064686535.db2.gz DINSAXVNSHVOCX-CBQGHPETSA-N 0 0 468.646 4.677 20 0 JJADRN Cc1cc(C)cc([C@@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001359941879 1064686604 /nfs/dbraw/zinc/68/66/04/1064686604.db2.gz PLKMICFFSLGHMC-GOSISDBHSA-N 0 0 454.617 4.603 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435315394 1064687457 /nfs/dbraw/zinc/68/74/57/1064687457.db2.gz VYWCDMPOFDVTDU-UHFFFAOYSA-N 0 0 453.764 4.827 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1)c1ccc(F)cc1 ZINC001435315654 1064687547 /nfs/dbraw/zinc/68/75/47/1064687547.db2.gz FVJPXRNKXAHLCC-UHFFFAOYSA-N 0 0 454.461 4.978 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001359943506 1064688166 /nfs/dbraw/zinc/68/81/66/1064688166.db2.gz BNFCJVFZDRPDHU-HSZRJFAPSA-N 0 0 482.456 4.511 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC001435316363 1064688427 /nfs/dbraw/zinc/68/84/27/1064688427.db2.gz DTANSZMVDHRRHH-QHCPKHFHSA-N 0 0 450.604 4.995 20 0 JJADRN COc1ccc([C@H](NC(=O)CCc2cccc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435316091 1064688586 /nfs/dbraw/zinc/68/85/86/1064688586.db2.gz CFBLEKXMFOAGTC-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN CC(C)CCn1c(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359944029 1064689190 /nfs/dbraw/zinc/68/91/90/1064689190.db2.gz MZMDXSDTADQVMJ-RXFWQSSRSA-N 0 0 485.629 4.519 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001359944007 1064689199 /nfs/dbraw/zinc/68/91/99/1064689199.db2.gz MHDWHFBBGJERNA-HXOBKFHXSA-N 0 0 483.440 4.984 20 0 JJADRN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001359944181 1064689852 /nfs/dbraw/zinc/68/98/52/1064689852.db2.gz OPDWUILGRCUVIM-NRFANRHFSA-N 0 0 451.619 4.634 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001359944242 1064690031 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4.517 20 0 JJADRN COc1ccc([C@H](NC(=O)CCc2cccc3c2OCO3)c2ccccc2Cl)c(OC)c1 ZINC001435318498 1064691862 /nfs/dbraw/zinc/69/18/62/1064691862.db2.gz RNGVZUIADRMWAG-XMMPIXPASA-N 0 0 453.922 4.924 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001359944801 1064692502 /nfs/dbraw/zinc/69/25/02/1064692502.db2.gz ZVHGRUULZNPUMP-IBGZPJMESA-N 0 0 451.409 4.527 20 0 JJADRN COc1ccc([C@H](NC(=O)CCCc2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319227 1064692629 /nfs/dbraw/zinc/69/26/29/1064692629.db2.gz ZHPNTHBJWALTAP-SANMLTNESA-N 0 0 451.588 4.636 20 0 JJADRN CO[C@H](C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)c1cnn(C)c1 ZINC001359945496 1064693525 /nfs/dbraw/zinc/69/35/25/1064693525.db2.gz OZFWZUAAIPWJQS-SFHVURJKSA-N 0 0 450.486 4.690 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc3cccnc32)c2ccc(Cl)cc2)c1 ZINC001435320032 1064693770 /nfs/dbraw/zinc/69/37/70/1064693770.db2.gz KRTCBELWBVHIKV-QFIPXVFZSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1ccn(C[C@H](C)C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC001359946768 1064694212 /nfs/dbraw/zinc/69/42/12/1064694212.db2.gz OWQWSDZARUYYRM-GBXCKJPGSA-N 0 0 451.615 4.543 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2CCOc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320243 1064694319 /nfs/dbraw/zinc/69/43/19/1064694319.db2.gz NVVQGXWAWVVALF-JTHBVZDNSA-N 0 0 455.963 4.515 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC001435320980 1064695142 /nfs/dbraw/zinc/69/51/42/1064695142.db2.gz GFJYJUOUKQRPAT-UHFFFAOYSA-N 0 0 458.493 4.641 20 0 JJADRN C[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435322118 1064695798 /nfs/dbraw/zinc/69/57/98/1064695798.db2.gz JOTFKNPMPKECQM-IBGZPJMESA-N 0 0 450.966 4.835 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 ZINC001435321661 1064695942 /nfs/dbraw/zinc/69/59/42/1064695942.db2.gz CXBBLASBNQLZEK-UHFFFAOYSA-N 0 0 452.561 4.773 20 0 JJADRN COc1ccc(CCCCCC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC001435322986 1064696529 /nfs/dbraw/zinc/69/65/29/1064696529.db2.gz NQDALZOSIBUOOE-HXUWFJFHSA-N 0 0 457.014 4.754 20 0 JJADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359947793 1064697871 /nfs/dbraw/zinc/69/78/71/1064697871.db2.gz PNBDRVVYHKEYNQ-YESZJQIVSA-N 0 0 459.557 4.874 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@@H](c3ccc(F)c(C)c3)c3ccccc3Cl)nn2)c1 ZINC001435325322 1064697920 /nfs/dbraw/zinc/69/79/20/1064697920.db2.gz QVDPARPKNYPTHL-QHCPKHFHSA-N 0 0 450.901 4.896 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2ccc3c(c2)CCCO3)cc1OC ZINC001435326735 1064698660 /nfs/dbraw/zinc/69/86/60/1064698660.db2.gz VYLFOLJMMBFLAI-UHFFFAOYSA-N 0 0 451.588 4.904 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1Cl ZINC001435326347 1064698702 /nfs/dbraw/zinc/69/87/02/1064698702.db2.gz ZYTIHAWGMYAZNO-UHFFFAOYSA-N 0 0 450.988 4.898 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(NC(C)=O)ccc2C)cc1OC ZINC001435325808 1064698890 /nfs/dbraw/zinc/69/88/90/1064698890.db2.gz QULVYUNLYBZXQO-UHFFFAOYSA-N 0 0 452.576 4.917 20 0 JJADRN O=C(NC[C@@H]1SCCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001435326732 1064699317 /nfs/dbraw/zinc/69/93/17/1064699317.db2.gz XNTIOVIZGVFWKB-FQEVSTJZSA-N 0 0 450.025 4.573 20 0 JJADRN O=C(NC[C@H]1SCCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001435326741 1064699342 /nfs/dbraw/zinc/69/93/42/1064699342.db2.gz XNTIOVIZGVFWKB-HXUWFJFHSA-N 0 0 450.025 4.573 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435328698 1064700115 /nfs/dbraw/zinc/70/01/15/1064700115.db2.gz LNHDUAHCTNVLRY-YEXLONIWSA-N 0 0 453.535 4.547 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435328689 1064700153 /nfs/dbraw/zinc/70/01/53/1064700153.db2.gz LNHDUAHCTNVLRY-AZBDZEDCSA-N 0 0 453.535 4.547 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435328406 1064700332 /nfs/dbraw/zinc/70/03/32/1064700332.db2.gz KOUPLPHJZPYQLP-RJWMVNQGSA-N 0 0 467.562 4.637 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC001435330101 1064701100 /nfs/dbraw/zinc/70/11/00/1064701100.db2.gz KILYYDJNXIUMHG-SBUREZEXSA-N 0 0 457.979 4.725 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC001359949296 1064702053 /nfs/dbraw/zinc/70/20/53/1064702053.db2.gz YWDJPMHJVQYURH-UHFFFAOYSA-N 0 0 451.910 4.988 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330947 1064702247 /nfs/dbraw/zinc/70/22/47/1064702247.db2.gz UISXGOMPISXAPT-CLOONOSVSA-N 0 0 451.588 4.573 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330948 1064702342 /nfs/dbraw/zinc/70/23/42/1064702342.db2.gz UISXGOMPISXAPT-DFBJGRDBSA-N 0 0 451.588 4.573 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330949 1064702438 /nfs/dbraw/zinc/70/24/38/1064702438.db2.gz UISXGOMPISXAPT-KBMIEXCESA-N 0 0 451.588 4.573 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCc2ccn(C)n2)cc1 ZINC001359950009 1064702568 /nfs/dbraw/zinc/70/25/68/1064702568.db2.gz BXSLXGUGJXQBRJ-OYRHEFFESA-N 0 0 450.631 4.829 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331430 1064702573 /nfs/dbraw/zinc/70/25/73/1064702573.db2.gz FIKBTKPKHGNASL-DPLHUUCSSA-N 0 0 455.526 4.686 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCCSC2)cc1 ZINC001359949960 1064702702 /nfs/dbraw/zinc/70/27/02/1064702702.db2.gz AOGQXKQPDQUEDW-HXUWFJFHSA-N 0 0 466.655 4.940 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCc2ccn(C)n2)cc1 ZINC001359950010 1064702795 /nfs/dbraw/zinc/70/27/95/1064702795.db2.gz BXSLXGUGJXQBRJ-SFTDATJTSA-N 0 0 450.631 4.829 20 0 JJADRN CCC(CC)(CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccccc1 ZINC001435331694 1064703141 /nfs/dbraw/zinc/70/31/41/1064703141.db2.gz FZEUSAGQDJFXLY-NHCUHLMSSA-N 0 0 456.652 4.841 20 0 JJADRN CCc1ccc([C@H](NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331565 1064703274 /nfs/dbraw/zinc/70/32/74/1064703274.db2.gz YWNKIGNHUKZRIJ-RJWMVNQGSA-N 0 0 457.636 4.699 20 0 JJADRN CN(C(=O)[C@H]1CCc2cc(Br)ccc21)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435332069 1064703730 /nfs/dbraw/zinc/70/37/30/1064703730.db2.gz HDCWYLWOEIWJAL-TVPLGVNVSA-N 0 0 451.405 4.773 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)ccc2NC1=O ZINC001435332540 1064704138 /nfs/dbraw/zinc/70/41/38/1064704138.db2.gz KDQBKBMELMWHFS-IFXJQAMLSA-N 0 0 454.477 4.719 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)ccc2NC1=O ZINC001435332248 1064704145 /nfs/dbraw/zinc/70/41/45/1064704145.db2.gz JAKHCLRZUITSAP-SPLOXXLWSA-N 0 0 451.548 4.631 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001359950248 1064704235 /nfs/dbraw/zinc/70/42/35/1064704235.db2.gz FQYKQDDWDCRXPO-QFQXNSOFSA-N 0 0 456.631 4.536 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2coc(C3CCCCC3)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435332668 1064704617 /nfs/dbraw/zinc/70/46/17/1064704617.db2.gz LAASSUOWVHPIPM-QHCPKHFHSA-N 0 0 452.576 4.954 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)cc1 ZINC001359950526 1064705482 /nfs/dbraw/zinc/70/54/82/1064705482.db2.gz KCCFPNAXLUKSCV-OAQYLSRUSA-N 0 0 476.687 4.820 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C ZINC001435334135 1064705860 /nfs/dbraw/zinc/70/58/60/1064705860.db2.gz SRCOHOGZQLGSQZ-GJZUVCINSA-N 0 0 453.583 4.512 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001435334132 1064705910 /nfs/dbraw/zinc/70/59/10/1064705910.db2.gz SRCOHOGZQLGSQZ-BKMJKUGQSA-N 0 0 453.583 4.512 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001359950619 1064706059 /nfs/dbraw/zinc/70/60/59/1064706059.db2.gz LJHBMLAZTOTMSS-KYTVRQNUSA-N 0 0 468.598 4.700 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001359950794 1064706725 /nfs/dbraw/zinc/70/67/25/1064706725.db2.gz NZKRKISSRFYFMW-DHIUTWEWSA-N 0 0 497.684 4.776 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(C)c3Oc3cccnc3)s2)c(F)c1 ZINC001359950926 1064707623 /nfs/dbraw/zinc/70/76/23/1064707623.db2.gz OZJNLRAVRMGENC-UHFFFAOYSA-N 0 0 453.499 4.748 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC(=O)N(C)C)cc1 ZINC001359951166 1064708116 /nfs/dbraw/zinc/70/81/16/1064708116.db2.gz SVLFUVXJCUFALK-IFMALSPDSA-N 0 0 455.647 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001359951164 1064708211 /nfs/dbraw/zinc/70/82/11/1064708211.db2.gz SURJEQBFIZMNOX-PXDATVDWSA-N 0 0 458.672 4.720 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(Cl)s2)cc1 ZINC001359951197 1064708604 /nfs/dbraw/zinc/70/86/04/1064708604.db2.gz TYTBIXLIWNWQIG-KRWDZBQOSA-N 0 0 488.057 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCOC(C)C)cc1 ZINC001359951326 1064709227 /nfs/dbraw/zinc/70/92/27/1064709227.db2.gz VVKMWLXNPGJCNZ-QFIPXVFZSA-N 0 0 486.657 4.569 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(C4SCCCS4)cc3)C2=O)cc1 ZINC001435340161 1064710004 /nfs/dbraw/zinc/71/00/04/1064710004.db2.gz HPAFPAFCQZQHHO-NRFANRHFSA-N 0 0 456.633 4.554 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC001435341604 1064710644 /nfs/dbraw/zinc/71/06/44/1064710644.db2.gz NUPGAKMJXUUKEX-VWLOTQADSA-N 0 0 455.514 4.534 20 0 JJADRN CCCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001435341367 1064710684 /nfs/dbraw/zinc/71/06/84/1064710684.db2.gz WGRITEVPWLYBSQ-HBMCJLEFSA-N 0 0 454.652 4.671 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001359951735 1064710860 /nfs/dbraw/zinc/71/08/60/1064710860.db2.gz DTDZLLZIRBQTGC-AREMUKBSSA-N 0 0 453.631 4.508 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCOC(C)(C)C)cc1 ZINC001359952034 1064712797 /nfs/dbraw/zinc/71/27/97/1064712797.db2.gz LOJGCJRGSIVEBC-QFIPXVFZSA-N 0 0 481.645 4.618 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@]2(C)CCCS2)cc1 ZINC001359952065 1064712827 /nfs/dbraw/zinc/71/28/27/1064712827.db2.gz MECQHMYPEJYVBE-FQRUVTKNSA-N 0 0 485.698 4.748 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CO)CC3)n2Cc2ccc(Cl)nc2)cc1 ZINC001359952078 1064712840 /nfs/dbraw/zinc/71/28/40/1064712840.db2.gz MJKNCECOVVYGDP-UHFFFAOYSA-N 0 0 470.017 4.675 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CSc2nnnn2C2CCCC2)cc1 ZINC001435344047 1064712818 /nfs/dbraw/zinc/71/28/18/1064712818.db2.gz ZYHRJJLLJRLMKR-KRWDZBQOSA-N 0 0 451.596 4.776 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(C)c(Oc3ccncc3)c2)ccn1 ZINC001435343995 1064712847 /nfs/dbraw/zinc/71/28/47/1064712847.db2.gz AAKVZFDJXFGVAZ-UHFFFAOYSA-N 0 0 454.486 4.982 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001359952042 1064712979 /nfs/dbraw/zinc/71/29/79/1064712979.db2.gz LVCRNIBZZMUEKM-ZCYQVOJMSA-N 0 0 483.701 4.963 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001435347256 1064714452 /nfs/dbraw/zinc/71/44/52/1064714452.db2.gz XUDOBSLUFIOVDF-UMXIMWEHSA-N 0 0 455.526 4.552 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccccc2C(F)F)c2cc(F)ccc2F)c1 ZINC001435346484 1064714472 /nfs/dbraw/zinc/71/44/72/1064714472.db2.gz NJQXYMNBHDHCEY-HXUWFJFHSA-N 0 0 451.441 4.825 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001359952356 1064714551 /nfs/dbraw/zinc/71/45/51/1064714551.db2.gz UFUAHZOKNLDRTQ-LOYIFYEOSA-N 0 0 470.658 4.782 20 0 JJADRN CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001435347986 1064715130 /nfs/dbraw/zinc/71/51/30/1064715130.db2.gz BIOXCLWONHHLFY-OAHLLOKOSA-N 0 0 455.352 4.982 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C3CCCCC3)ccn2)c1C ZINC001435348933 1064715597 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FVLVHYHOIODHTK-UHFFFAOYSA-N 0 0 453.926 4.966 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(OCc2ccccc2)ccn1 ZINC001359953029 1064716843 /nfs/dbraw/zinc/71/68/43/1064716843.db2.gz BJOWWDXDGVRXRC-AREMUKBSSA-N 0 0 451.526 4.640 20 0 JJADRN CC(C)C[C@H]1CCN(C(=O)c2c(I)ccc(Br)c2F)C1 ZINC001435351186 1064717064 /nfs/dbraw/zinc/71/70/64/1064717064.db2.gz LUNNWAZFSRTGBX-SNVBAGLBSA-N 0 0 454.121 4.701 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1sc(Cl)nc1C(F)(F)F ZINC001359953745 1064717222 /nfs/dbraw/zinc/71/72/22/1064717222.db2.gz SYYOKTNEUTWCMO-AWEZNQCLSA-N 0 0 453.873 4.795 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N1CCCC2(C1)CCCCCC2 ZINC001435350998 1064717369 /nfs/dbraw/zinc/71/73/69/1064717369.db2.gz XPORGUACTRNJQA-UHFFFAOYSA-N 0 0 456.446 4.966 20 0 JJADRN Cn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(-c2ccccc2Cl)n1 ZINC001359953617 1064717351 /nfs/dbraw/zinc/71/73/51/1064717351.db2.gz ONTISTPFTVRTKN-HSZRJFAPSA-N 0 0 458.949 4.720 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001359953983 1064717723 /nfs/dbraw/zinc/71/77/23/1064717723.db2.gz BHORWOUENURGME-QPPBQGQZSA-N 0 0 455.647 4.823 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001359953986 1064717789 /nfs/dbraw/zinc/71/77/89/1064717789.db2.gz BHORWOUENURGME-ZJSXRUAMSA-N 0 0 455.647 4.823 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001359953952 1064717818 /nfs/dbraw/zinc/71/78/18/1064717818.db2.gz APNDOIOVOBXKSR-UHFFFAOYSA-N 0 0 486.661 4.675 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)cc1OCC ZINC001435351461 1064717853 /nfs/dbraw/zinc/71/78/53/1064717853.db2.gz UQBOAKLLEMFFAN-VQTJNVASSA-N 0 0 454.405 4.643 20 0 JJADRN CS[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C1 ZINC001435351601 1064717886 /nfs/dbraw/zinc/71/78/86/1064717886.db2.gz IZQSRPPFLXQDEC-ZJUUUORDSA-N 0 0 454.852 4.589 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCn2ccnn2)cc1 ZINC001359953988 1064717882 /nfs/dbraw/zinc/71/78/82/1064717882.db2.gz ABRQZKNHXCUKON-HHHXNRCGSA-N 0 0 495.672 4.693 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C ZINC001435353126 1064718289 /nfs/dbraw/zinc/71/82/89/1064718289.db2.gz UVJYYXAKEWVBSC-GOSISDBHSA-N 0 0 457.315 4.549 20 0 JJADRN COC(=O)c1cc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c(OC)c(OC)c1 ZINC001435353267 1064718306 /nfs/dbraw/zinc/71/83/06/1064718306.db2.gz UJIPNSLVDMYQIK-UHFFFAOYSA-N 0 0 454.548 4.834 20 0 JJADRN Cc1ccc2[nH]c(CNC(=O)CCc3cc(Br)c(Br)s3)nc2c1 ZINC001435352494 1064718342 /nfs/dbraw/zinc/71/83/42/1064718342.db2.gz ZVGIXDLHXRMQMJ-UHFFFAOYSA-N 0 0 457.191 4.707 20 0 JJADRN COc1ccc(O[C@@H](C)CNC(=O)c2csc(-c3cc(Br)cs3)n2)cc1 ZINC001435352116 1064718379 /nfs/dbraw/zinc/71/83/79/1064718379.db2.gz NXARBQMELTYHLO-NSHDSACASA-N 0 0 453.383 4.840 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC001435353279 1064718513 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GTIZDSAQHVJKAK-UHFFFAOYSA-N 0 0 497.665 4.725 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCc3ccccc32)CC1 ZINC001359954386 1064720093 /nfs/dbraw/zinc/72/00/93/1064720093.db2.gz JBFZJQLXIZLNFS-JOCHJYFZSA-N 0 0 467.658 4.568 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)n2)c1 ZINC001435355921 1064720526 /nfs/dbraw/zinc/72/05/26/1064720526.db2.gz GWBRPHGZXHWYCD-HNNXBMFYSA-N 0 0 452.511 4.892 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001359954473 1064720552 /nfs/dbraw/zinc/72/05/52/1064720552.db2.gz HJXDPPSXDLRUQU-WOJBJXKFSA-N 0 0 487.645 4.508 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS2)CC1 ZINC001359954553 1064720606 /nfs/dbraw/zinc/72/06/06/1064720606.db2.gz LGIHVNCJTNIVQT-LJQANCHMSA-N 0 0 450.052 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001359954678 1064721023 /nfs/dbraw/zinc/72/10/23/1064721023.db2.gz KFTSHPLWEZFGLP-IBGZPJMESA-N 0 0 473.687 4.617 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001359954681 1064721154 /nfs/dbraw/zinc/72/11/54/1064721154.db2.gz KLEKJHJDAYQDSY-JAXLGGSGSA-N 0 0 458.672 4.984 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC001435357547 1064721617 /nfs/dbraw/zinc/72/16/17/1064721617.db2.gz SFXFFQSWCABMFY-UHFFFAOYSA-N 0 0 452.576 4.941 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001359954787 1064721727 /nfs/dbraw/zinc/72/17/27/1064721727.db2.gz QLLLELVBUYDGMM-UHFFFAOYSA-N 0 0 483.579 4.992 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001359954979 1064722705 /nfs/dbraw/zinc/72/27/05/1064722705.db2.gz SQSPJVKNWUGWBD-UHFFFAOYSA-N 0 0 490.092 4.741 20 0 JJADRN CC[C@@H](C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001435359450 1064723246 /nfs/dbraw/zinc/72/32/46/1064723246.db2.gz AHIPLWSOLKJYHU-SJCJKPOMSA-N 0 0 459.337 4.789 20 0 JJADRN O=C(N1CCS[C@@H]2CCCC[C@H]21)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435359872 1064723798 /nfs/dbraw/zinc/72/37/98/1064723798.db2.gz HLBMTMCXKRUJOT-RTBURBONSA-N 0 0 456.421 4.814 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360602 1064724162 /nfs/dbraw/zinc/72/41/62/1064724162.db2.gz LEXIFDBLHYZTAQ-QUZHSLKNSA-N 0 0 456.214 4.640 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)O[C@H](C)c2ccc(OCC(C)C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001435362957 1064724766 /nfs/dbraw/zinc/72/47/66/1064724766.db2.gz VEPGNRXLKPRSDC-FOVJLYNBSA-N 0 0 455.551 4.752 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001435363086 1064725190 /nfs/dbraw/zinc/72/51/90/1064725190.db2.gz VQZMOHHQDSTNLU-KRWDZBQOSA-N 0 0 458.209 4.694 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2ccc(Cl)cc2n1C ZINC001435364012 1064725259 /nfs/dbraw/zinc/72/52/59/1064725259.db2.gz PYYVOHZCWZVRED-NEPJUHHUSA-N 0 0 450.297 4.677 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@H](C)C2)cc1C ZINC001435364918 1064725558 /nfs/dbraw/zinc/72/55/58/1064725558.db2.gz AOQYMHPRBJWVHI-GOSISDBHSA-N 0 0 453.384 4.603 20 0 JJADRN CCc1cc(C(=O)N(CC)c2ccccc2S(=O)(=O)CC)c2c(CC(C)(C)C)noc2n1 ZINC001435364674 1064725599 /nfs/dbraw/zinc/72/55/99/1064725599.db2.gz RYVRPKPFQXUKDJ-UHFFFAOYSA-N 0 0 457.596 4.834 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001359957890 1064726303 /nfs/dbraw/zinc/72/63/03/1064726303.db2.gz GKTMALHVFNMJLZ-RDPSFJRHSA-N 0 0 456.631 4.653 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001435367203 1064726838 /nfs/dbraw/zinc/72/68/38/1064726838.db2.gz USWHIHRJOAMXPX-UHFFFAOYSA-N 0 0 452.938 4.995 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001359958085 1064726989 /nfs/dbraw/zinc/72/69/89/1064726989.db2.gz MDKDQVXSFGYPDM-JYFHCDHNSA-N 0 0 469.674 4.747 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnccn3)n2CCc2csc(C(C)C)n2)CC1 ZINC001359957960 1064727022 /nfs/dbraw/zinc/72/70/22/1064727022.db2.gz IUHVDXXRVLGHLD-UHFFFAOYSA-N 0 0 469.659 4.589 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001435367783 1064727163 /nfs/dbraw/zinc/72/71/63/1064727163.db2.gz MKFZTOUVVVNYAN-FDDCHVKYSA-N 0 0 452.599 4.580 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 ZINC001359958421 1064727888 /nfs/dbraw/zinc/72/78/88/1064727888.db2.gz VSXWIYJUEJPTQR-UHFFFAOYSA-N 0 0 454.663 4.552 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC001435369628 1064727798 /nfs/dbraw/zinc/72/77/98/1064727798.db2.gz WIOGLUWIXCHVSG-FOIQADDNSA-N 0 0 458.990 4.871 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2CCOC2CCCCCC2)CC1 ZINC001359958411 1064727992 /nfs/dbraw/zinc/72/79/92/1064727992.db2.gz VHFIPOJQUMOLIY-QFIPXVFZSA-N 0 0 462.679 4.943 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001359958460 1064728353 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JJADRN CCCCCC[C@](C)(CCC)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC001435379625 1064730538 /nfs/dbraw/zinc/73/05/38/1064730538.db2.gz QTIIAMUYPAAXPR-NRFANRHFSA-N 0 0 455.441 4.673 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001359959100 1064730665 /nfs/dbraw/zinc/73/06/65/1064730665.db2.gz RFSBJFJSMVQGEY-FQEVSTJZSA-N 0 0 492.418 4.659 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001359959334 1064731660 /nfs/dbraw/zinc/73/16/60/1064731660.db2.gz XWWCLRAZXBVVSQ-IBGZPJMESA-N 0 0 495.039 4.965 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Br)cc3C)ccc2C)ccn1 ZINC001435383245 1064731895 /nfs/dbraw/zinc/73/18/95/1064731895.db2.gz FPOMAENORBOROD-UHFFFAOYSA-N 0 0 454.324 4.865 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC001359959917 1064732154 /nfs/dbraw/zinc/73/21/54/1064732154.db2.gz WBSPBFIEQZAPIA-UHFFFAOYSA-N 0 0 450.341 4.975 20 0 JJADRN C[C@H]1[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC001359960434 1064732170 /nfs/dbraw/zinc/73/21/70/1064732170.db2.gz RAHYBUWBONAYQQ-JXFKEZNVSA-N 0 0 456.514 4.733 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC001359959731 1064732366 /nfs/dbraw/zinc/73/23/66/1064732366.db2.gz NVWRZDPDTNMKNC-VWLOTQADSA-N 0 0 459.521 4.771 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435383251 1064732452 /nfs/dbraw/zinc/73/24/52/1064732452.db2.gz XTXNIJQENFFKPN-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc1 ZINC001435383258 1064732503 /nfs/dbraw/zinc/73/25/03/1064732503.db2.gz ONZWWGLYYNGWLE-MRXNPFEDSA-N 0 0 455.580 4.668 20 0 JJADRN CC(C)CCOCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001359960778 1064732665 /nfs/dbraw/zinc/73/26/65/1064732665.db2.gz DRDWJQFSFQPBSE-HSZRJFAPSA-N 0 0 472.033 4.968 20 0 JJADRN CC(C)CCOCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359961024 1064733251 /nfs/dbraw/zinc/73/32/51/1064733251.db2.gz LJAKMYWLYWOYBM-VQIMIIECSA-N 0 0 492.546 4.681 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(OCC(F)(F)F)c3)ccc2C)ccn1 ZINC001435384736 1064733433 /nfs/dbraw/zinc/73/34/33/1064733433.db2.gz LJVYXXCIHUYKJV-UHFFFAOYSA-N 0 0 459.424 4.735 20 0 JJADRN CC(C)CCOCCCn1c(C2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359961070 1064733677 /nfs/dbraw/zinc/73/36/77/1064733677.db2.gz MUMMPNJBPHSWFQ-JOCHJYFZSA-N 0 0 460.585 4.918 20 0 JJADRN COc1cccc(C(NC(=O)CSC(=S)N2CCC(C)CC2)c2cccc(OC)c2)c1 ZINC001435386331 1064733712 /nfs/dbraw/zinc/73/37/12/1064733712.db2.gz USXXLUZMDUOUAI-UHFFFAOYSA-N 0 0 458.649 4.659 20 0 JJADRN CC(C)CCOCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359961087 1064733756 /nfs/dbraw/zinc/73/37/56/1064733756.db2.gz NFQUPSROVWLFSH-HXUWFJFHSA-N 0 0 499.685 4.520 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(F)c3Br)ccc2C)ccn1 ZINC001435386339 1064733976 /nfs/dbraw/zinc/73/39/76/1064733976.db2.gz UYURDUHWXIZVLN-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ccc(-c3ccccc3)nn2)C1 ZINC001435386981 1064734274 /nfs/dbraw/zinc/73/42/74/1064734274.db2.gz PGEWWVPUTRSWBN-FGZHOGPDSA-N 0 0 458.562 4.808 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@@H]1c1ccc(OC)cc1 ZINC001435386442 1064734456 /nfs/dbraw/zinc/73/44/56/1064734456.db2.gz OOELZCVIKBCOQD-NVQXNPDNSA-N 0 0 458.562 4.871 20 0 JJADRN CC(C)C(=O)Nc1cc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)ccn1 ZINC001435386849 1064734539 /nfs/dbraw/zinc/73/45/39/1064734539.db2.gz UUHXRLJLWBNTEP-LJQANCHMSA-N 0 0 456.546 4.506 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)Cc3cccc4ccc(OC)cc43)ccc2C)ccn1 ZINC001435387012 1064734872 /nfs/dbraw/zinc/73/48/72/1064734872.db2.gz XEJDQNWTJQMGQP-UHFFFAOYSA-N 0 0 455.514 4.885 20 0 JJADRN CC(C)CCOCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001359961792 1064734928 /nfs/dbraw/zinc/73/49/28/1064734928.db2.gz FJWPXORNOCTLOA-XMSQKQJNSA-N 0 0 493.574 4.959 20 0 JJADRN COc1cccc(C(NC(=O)COc2cccc(Br)c2)c2cccc(OC)c2)c1 ZINC001435387172 1064735035 /nfs/dbraw/zinc/73/50/35/1064735035.db2.gz ZHEIZRYHRQIVKE-UHFFFAOYSA-N 0 0 456.336 4.751 20 0 JJADRN CC(C)CCOCCCn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001359962009 1064735265 /nfs/dbraw/zinc/73/52/65/1064735265.db2.gz LDDWUVPWBDNGSG-UHFFFAOYSA-N 0 0 469.674 4.769 20 0 JJADRN CC(C)CCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001359963797 1064736358 /nfs/dbraw/zinc/73/63/58/1064736358.db2.gz BLMKAIYBAQEJFG-HSZRJFAPSA-N 0 0 476.046 4.578 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001359963747 1064736499 /nfs/dbraw/zinc/73/64/99/1064736499.db2.gz ABTMFKKIDOOYLO-QHCPKHFHSA-N 0 0 496.494 4.750 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)ncc1Br ZINC001435393067 1064736529 /nfs/dbraw/zinc/73/65/29/1064736529.db2.gz QWGOVPINNYXTAN-GTNSWQLSSA-N 0 0 457.155 4.617 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001359964006 1064736849 /nfs/dbraw/zinc/73/68/49/1064736849.db2.gz IIRKKOYKQJOWNE-UHFFFAOYSA-N 0 0 494.467 4.763 20 0 JJADRN COc1ccc(COC(=O)C[C@H](C)n2cc(Br)cn2)cc1SC(F)(F)F ZINC001435394161 1064737246 /nfs/dbraw/zinc/73/72/46/1064737246.db2.gz QWSINKLUMYVKIL-JTQLQIEISA-N 0 0 453.280 4.961 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359964101 1064737470 /nfs/dbraw/zinc/73/74/70/1064737470.db2.gz KNJCMYYKQSZARH-HXUWFJFHSA-N 0 0 457.022 4.779 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccc(F)cc2I)oc1-c1ccccc1 ZINC001435396223 1064738172 /nfs/dbraw/zinc/73/81/72/1064738172.db2.gz PYJPTTPMIMLJRP-UHFFFAOYSA-N 0 0 450.251 4.965 20 0 JJADRN COc1cccc(COC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC001435396090 1064738263 /nfs/dbraw/zinc/73/82/63/1064738263.db2.gz FCBHXKCSHKQUMI-UHFFFAOYSA-N 0 0 456.161 4.587 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(F)cc3I)sc21 ZINC001435396230 1064738361 /nfs/dbraw/zinc/73/83/61/1064738361.db2.gz QAKCOBHYXXNBEN-UHFFFAOYSA-N 0 0 451.211 4.568 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N(CCC(F)(F)F)CC2CC2)CC1 ZINC001435397426 1064738770 /nfs/dbraw/zinc/73/87/70/1064738770.db2.gz YQUUUOGCKJBORQ-UHFFFAOYSA-N 0 0 450.423 4.749 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359964501 1064738966 /nfs/dbraw/zinc/73/89/66/1064738966.db2.gz XMVFPMNJGSNYHH-UHFFFAOYSA-N 0 0 469.001 4.636 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001435398048 1064739185 /nfs/dbraw/zinc/73/91/85/1064739185.db2.gz OSALRYFFHVGWCR-JXFKEZNVSA-N 0 0 454.876 4.684 20 0 JJADRN CC[C@](C)(CC(=O)OC)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001435397823 1064739366 /nfs/dbraw/zinc/73/93/66/1064739366.db2.gz LCKNLSKVKGOAGE-JOCHJYFZSA-N 0 0 452.382 4.910 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CO)CC1 ZINC001359964597 1064739305 /nfs/dbraw/zinc/73/93/05/1064739305.db2.gz ZXXNSHUYRQZEHK-UHFFFAOYSA-N 0 0 485.854 4.632 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359964633 1064739429 /nfs/dbraw/zinc/73/94/29/1064739429.db2.gz BAPRBDGUJLFBEA-UHFFFAOYSA-N 0 0 452.422 4.796 20 0 JJADRN CC(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001359964662 1064739508 /nfs/dbraw/zinc/73/95/08/1064739508.db2.gz BUNPQZDDHGXMCR-UHFFFAOYSA-N 0 0 493.530 4.724 20 0 JJADRN O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435399080 1064739881 /nfs/dbraw/zinc/73/98/81/1064739881.db2.gz GURCMNBZLZMCSQ-GFCCVEGCSA-N 0 0 459.255 4.739 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001359964835 1064739795 /nfs/dbraw/zinc/73/97/95/1064739795.db2.gz IWFCCURFTMTHCQ-LAUBAEHRSA-N 0 0 477.447 4.774 20 0 JJADRN CC(C)CCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001359965072 1064739811 /nfs/dbraw/zinc/73/98/11/1064739811.db2.gz PTLCXUPNMGZNOV-LJQANCHMSA-N 0 0 458.006 4.657 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NCCCc2ccc(Cl)cc2Cl)c1 ZINC001435400830 1064740142 /nfs/dbraw/zinc/74/01/42/1064740142.db2.gz QWPXMLBBYHHVOR-UHFFFAOYSA-N 0 0 457.423 4.574 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001359965133 1064740332 /nfs/dbraw/zinc/74/03/32/1064740332.db2.gz RJFOIKREWHIJAT-NRFANRHFSA-N 0 0 487.446 4.845 20 0 JJADRN CCn1ncc(C(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)c1Br ZINC001435401462 1064740766 /nfs/dbraw/zinc/74/07/66/1064740766.db2.gz SIDOLQGHRRTRHQ-UHFFFAOYSA-N 0 0 452.740 4.820 20 0 JJADRN C[C@@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1ccc(-c2ccncc2)cc1 ZINC001435401547 1064740820 /nfs/dbraw/zinc/74/08/20/1064740820.db2.gz BTOYTWXXVPBWGS-LLVKDONJSA-N 0 0 453.262 4.754 20 0 JJADRN CC[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)Oc1ccccc1F ZINC001435401702 1064740853 /nfs/dbraw/zinc/74/08/53/1064740853.db2.gz IIYLKZJEWARYFP-KRWDZBQOSA-N 0 0 454.502 4.861 20 0 JJADRN O=C(CCc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359965778 1064741189 /nfs/dbraw/zinc/74/11/89/1064741189.db2.gz ATBMCKHPKDGBNM-MRXNPFEDSA-N 0 0 457.290 4.675 20 0 JJADRN CC(C)[C@@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccnc1 ZINC001435403268 1064741278 /nfs/dbraw/zinc/74/12/78/1064741278.db2.gz JSHXFWXVDNWNQL-GOSISDBHSA-N 0 0 454.924 4.921 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2cnn(Cc3ccccc3)c2Br)n(C)n1 ZINC001435402975 1064741380 /nfs/dbraw/zinc/74/13/80/1064741380.db2.gz HQTQBFJETGFIHF-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(F)c1I ZINC001435403866 1064741522 /nfs/dbraw/zinc/74/15/22/1064741522.db2.gz POEJTKCDZNQOJM-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)c1ccc(-c2ccncc2)cc1 ZINC001435405224 1064742001 /nfs/dbraw/zinc/74/20/01/1064742001.db2.gz QLCRBWBKIMVZJI-OAHLLOKOSA-N 0 0 456.514 4.702 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001359966708 1064742015 /nfs/dbraw/zinc/74/20/15/1064742015.db2.gz CMHUCXSLEMKBEB-FQEVSTJZSA-N 0 0 460.644 4.743 20 0 JJADRN Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)nc(-c2ccc(Cl)cc2)n1 ZINC001435405989 1064742020 /nfs/dbraw/zinc/74/20/20/1064742020.db2.gz KOMZQWLIKNKGCG-OAQYLSRUSA-N 0 0 452.345 4.975 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)nc(-c2ccc(Cl)cc2)n1 ZINC001435405983 1064742072 /nfs/dbraw/zinc/74/20/72/1064742072.db2.gz KOMZQWLIKNKGCG-NRFANRHFSA-N 0 0 452.345 4.975 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)COc1ccccc1Br)C[C@H](C)O2 ZINC001435405161 1064742135 /nfs/dbraw/zinc/74/21/35/1064742135.db2.gz OBYSKCRONHHORW-LBPRGKRZSA-N 0 0 455.146 4.713 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3ccccc3C)nn2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435404963 1064742166 /nfs/dbraw/zinc/74/21/66/1064742166.db2.gz PCCJVBGORLIHMO-UHFFFAOYSA-N 0 0 454.456 4.615 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1cc(Br)cn(C)c1=O ZINC001435404632 1064742205 /nfs/dbraw/zinc/74/22/05/1064742205.db2.gz MMFTUHXZUSMCRE-UHFFFAOYSA-N 0 0 454.118 4.526 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001435408454 1064743253 /nfs/dbraw/zinc/74/32/53/1064743253.db2.gz OMVCTIJQAUVVRF-LJQANCHMSA-N 0 0 459.859 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CC(C)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001359969992 1064745481 /nfs/dbraw/zinc/74/54/81/1064745481.db2.gz BNVSXTLBOUYAEP-NJYVYQBISA-N 0 0 461.651 4.792 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)/C=C/c2cnc(C(C)(C)C)s2)ccn1 ZINC001435413330 1064745328 /nfs/dbraw/zinc/74/53/28/1064745328.db2.gz WFMHQDHFCWLIMU-VQHVLOKHSA-N 0 0 450.564 4.948 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001435414622 1064745977 /nfs/dbraw/zinc/74/59/77/1064745977.db2.gz XZSRSOPSZTWYAY-SFHVURJKSA-N 0 0 457.665 4.885 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC[C@@H]1c1ccccc1 ZINC001435415328 1064746453 /nfs/dbraw/zinc/74/64/53/1064746453.db2.gz CXAZEPMAXUMTQF-RDGATRHJSA-N 0 0 456.652 4.692 20 0 JJADRN CC(C)CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001359970452 1064746583 /nfs/dbraw/zinc/74/65/83/1064746583.db2.gz SFNJNBZRVGBNBE-CZYKHXBRSA-N 0 0 475.678 4.880 20 0 JJADRN 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JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001359994856 1064778696 /nfs/dbraw/zinc/77/86/96/1064778696.db2.gz JACJZSKTAIELCS-MOPGFXCFSA-N 0 0 459.610 4.592 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359995022 1064779180 /nfs/dbraw/zinc/77/91/80/1064779180.db2.gz QKSOISMOYXXEAH-FUHWJXTLSA-N 0 0 464.010 4.831 20 0 JJADRN CC(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001359995200 1064779585 /nfs/dbraw/zinc/77/95/85/1064779585.db2.gz BMTDDURFZJXWSX-HOTGVXAUSA-N 0 0 455.594 4.860 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995086 1064779658 /nfs/dbraw/zinc/77/96/58/1064779658.db2.gz UYPHUKOLUJWBGS-ZWKOTPCHSA-N 0 0 461.582 4.564 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001359995195 1064779716 /nfs/dbraw/zinc/77/97/16/1064779716.db2.gz BKSUBYKOSYIMMN-IYBDPMFKSA-N 0 0 484.870 4.562 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C)cc3OC[C@H]3CCOC3)s2)cc1 ZINC001435476228 1064779801 /nfs/dbraw/zinc/77/98/01/1064779801.db2.gz GJGMPNNTBJBRID-SFHVURJKSA-N 0 0 452.576 4.781 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C ZINC001435476786 1064780109 /nfs/dbraw/zinc/78/01/09/1064780109.db2.gz YDPLNJDNAQKJSD-NRFANRHFSA-N 0 0 455.393 4.756 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001359995328 1064780237 /nfs/dbraw/zinc/78/02/37/1064780237.db2.gz JWLQUKGGGINZCJ-UHFFFAOYSA-N 0 0 479.429 4.772 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359995249 1064780350 /nfs/dbraw/zinc/78/03/50/1064780350.db2.gz DTVNTQXHPDGNOV-MAUKXSAKSA-N 0 0 478.435 4.713 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001359995408 1064780700 /nfs/dbraw/zinc/78/07/00/1064780700.db2.gz PGFODGNINZBMQU-RBZFPXEDSA-N 0 0 482.448 4.529 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001359995540 1064781070 /nfs/dbraw/zinc/78/10/70/1064781070.db2.gz XLVRREOZSRDGOG-PWSUYJOCSA-N 0 0 453.328 4.581 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001359995541 1064781093 /nfs/dbraw/zinc/78/10/93/1064781093.db2.gz XLVRREOZSRDGOG-ZYHUDNBSSA-N 0 0 453.328 4.581 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359995673 1064781117 /nfs/dbraw/zinc/78/11/17/1064781117.db2.gz BUVGNFGHGKDFOF-LLVKDONJSA-N 0 0 459.456 4.526 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359995538 1064781229 /nfs/dbraw/zinc/78/12/29/1064781229.db2.gz XLVRREOZSRDGOG-CMPLNLGQSA-N 0 0 453.328 4.581 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359996558 1064781616 /nfs/dbraw/zinc/78/16/16/1064781616.db2.gz WDAZQUDDWCAETB-WFJIJDHCSA-N 0 0 455.451 4.866 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001359995986 1064781778 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HRWOUNAMFXAGMO-HXUWFJFHSA-N 0 0 454.398 4.821 20 0 JJADRN COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001435482208 1064782947 /nfs/dbraw/zinc/78/29/47/1064782947.db2.gz GISNUHWUGXYGJF-LJQANCHMSA-N 0 0 452.473 4.905 20 0 JJADRN C[C@@H](c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)N1CCOCC1 ZINC001359997114 1064782885 /nfs/dbraw/zinc/78/28/85/1064782885.db2.gz NDIJYGMVBIEDDU-WMZHIEFXSA-N 0 0 459.631 4.882 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359997444 1064783043 /nfs/dbraw/zinc/78/30/43/1064783043.db2.gz APDDDVCDXGURAB-MRXNPFEDSA-N 0 0 496.425 4.948 20 0 JJADRN CC(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359997781 1064783426 /nfs/dbraw/zinc/78/34/26/1064783426.db2.gz XWHMWSFYIXYHJL-UHFFFAOYSA-N 0 0 464.614 4.985 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC001435483604 1064783682 /nfs/dbraw/zinc/78/36/82/1064783682.db2.gz JDRQDKQAXBAOGB-QHCPKHFHSA-N 0 0 455.551 4.543 20 0 JJADRN C[C@@H](NC(=O)c1c(C(F)(F)F)cnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483374 1064783746 /nfs/dbraw/zinc/78/37/46/1064783746.db2.gz NLBJCWIIHIWMNS-SECBINFHSA-N 0 0 459.291 4.816 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001435484789 1064784329 /nfs/dbraw/zinc/78/43/29/1064784329.db2.gz PKQDSNKIPNJTLZ-UKYUDJEDSA-N 0 0 457.324 4.613 20 0 JJADRN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC001435484145 1064784389 /nfs/dbraw/zinc/78/43/89/1064784389.db2.gz MCSPEHQTEWVOPT-UHFFFAOYSA-N 0 0 453.974 4.961 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC001359998700 1064784966 /nfs/dbraw/zinc/78/49/66/1064784966.db2.gz FVIJUYVWUFNQCC-UHFFFAOYSA-N 0 0 452.942 4.978 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3F)c(C)c2c1 ZINC001359998634 1064784981 /nfs/dbraw/zinc/78/49/81/1064784981.db2.gz JTZYAICUGROZGY-FQEVSTJZSA-N 0 0 454.523 4.556 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001359998761 1064785002 /nfs/dbraw/zinc/78/50/02/1064785002.db2.gz HTAAPYYGMVCCIL-HSZRJFAPSA-N 0 0 453.970 4.658 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCC2 ZINC001435486167 1064784877 /nfs/dbraw/zinc/78/48/77/1064784877.db2.gz XFYXJYIXDIBRDK-URXJJBOYSA-N 0 0 454.567 4.698 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)nc1 ZINC001435486701 1064785320 /nfs/dbraw/zinc/78/53/20/1064785320.db2.gz NBZWYXWPMVRXCD-UHFFFAOYSA-N 0 0 451.548 4.810 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc(Cl)c1Br ZINC001359999779 1064785958 /nfs/dbraw/zinc/78/59/58/1064785958.db2.gz YHLJSOBSMNTKSR-OAHLLOKOSA-N 0 0 457.752 4.704 20 0 JJADRN COC(=O)c1ccc(CCC(=O)Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)cc1 ZINC001435487640 1064785857 /nfs/dbraw/zinc/78/58/57/1064785857.db2.gz MWAGMTKQJVIIEN-UHFFFAOYSA-N 0 0 455.514 4.876 20 0 JJADRN COc1cc(C(=O)NCc2cnn(CC(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 ZINC001435487960 1064785930 /nfs/dbraw/zinc/78/59/30/1064785930.db2.gz PZKIFNXUISGFBP-UHFFFAOYSA-N 0 0 453.848 4.616 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC001435488040 1064786051 /nfs/dbraw/zinc/78/60/51/1064786051.db2.gz RECGCVNKURJPEC-UHFFFAOYSA-N 0 0 458.299 4.704 20 0 JJADRN CC(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000147 1064786369 /nfs/dbraw/zinc/78/63/69/1064786369.db2.gz APBDHVOXQVCMFI-IRXDYDNUSA-N 0 0 463.573 4.543 20 0 JJADRN CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1Cl ZINC001360000159 1064786487 /nfs/dbraw/zinc/78/64/87/1064786487.db2.gz BBBMFATZUIKCRS-LJQANCHMSA-N 0 0 464.010 4.532 20 0 JJADRN Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(Br)ccc2Br)n1 ZINC001435488693 1064786475 /nfs/dbraw/zinc/78/64/75/1064786475.db2.gz YEXHIODUWVBTSR-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)cc1NC(=O)Nc1ccccc1 ZINC001435489449 1064786984 /nfs/dbraw/zinc/78/69/84/1064786984.db2.gz 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Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001435494162 1064788470 /nfs/dbraw/zinc/78/84/70/1064788470.db2.gz BDXHVJWSIIPGBC-CJNGLKHVSA-N 0 0 454.562 4.907 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C2(Cc3ccccc3Br)CC2)c1 ZINC001360002571 1064788569 /nfs/dbraw/zinc/78/85/69/1064788569.db2.gz LVHTVJOUVBKLQC-LJQANCHMSA-N 0 0 459.409 4.620 20 0 JJADRN CN(CCC1CCOCC1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001435494198 1064788688 /nfs/dbraw/zinc/78/86/88/1064788688.db2.gz BXSZHKNGPRSHRW-UHFFFAOYSA-N 0 0 459.384 4.519 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC001360002409 1064788707 /nfs/dbraw/zinc/78/87/07/1064788707.db2.gz KPJKNVHUKOYLET-MOPGFXCFSA-N 0 0 477.355 4.552 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC001435495334 1064788935 /nfs/dbraw/zinc/78/89/35/1064788935.db2.gz MHEDUFUGXIZATD-MRXNPFEDSA-N 0 0 452.507 4.606 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccn(Cc2ccccc2)n1 ZINC001435495473 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CCc1c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435524965 1064806532 /nfs/dbraw/zinc/80/65/32/1064806532.db2.gz GJWLCNOOEGYXDA-UHFFFAOYSA-N 0 0 450.930 4.708 20 0 JJADRN Cc1cc(-c2csc(NC(=O)C[C@@H]3CSCCN3C(=O)OC(C)(C)C)n2)ccc1F ZINC001435526209 1064807970 /nfs/dbraw/zinc/80/79/70/1064807970.db2.gz LNYGCJNWUHPLRT-OAHLLOKOSA-N 0 0 451.589 4.939 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)Cc3ccccc3Br)c(=O)oc2c1 ZINC001435525790 1064808122 /nfs/dbraw/zinc/80/81/22/1064808122.db2.gz YSTDIYDUTIBXAI-HNNXBMFYSA-N 0 0 457.368 4.763 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001435529584 1064810591 /nfs/dbraw/zinc/81/05/91/1064810591.db2.gz IYNHKYVFZOOZLZ-UHFFFAOYSA-N 0 0 452.190 4.606 20 0 JJADRN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCCOc1ccc(I)cc1 ZINC001360013492 1064812152 /nfs/dbraw/zinc/81/21/52/1064812152.db2.gz OYLAQCGHUHZOIS-ZDUSSCGKSA-N 0 0 457.274 4.886 20 0 JJADRN CCOc1cc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001360013598 1064812203 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ZINC001435580946 1064847254 /nfs/dbraw/zinc/84/72/54/1064847254.db2.gz ZKPQPZIWICYIKJ-LXPRWKDFSA-N 0 0 456.384 4.936 20 0 JJADRN CC(C)COc1ccc(C(C)(C)C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC001360037722 1064847415 /nfs/dbraw/zinc/84/74/15/1064847415.db2.gz ROQRWTZKPAKXMD-UHFFFAOYSA-N 0 0 451.636 4.953 20 0 JJADRN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)cc1C ZINC001435582001 1064847795 /nfs/dbraw/zinc/84/77/95/1064847795.db2.gz NBFHQILTCOBXTG-UHFFFAOYSA-N 0 0 450.560 4.570 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)c12 ZINC001435581551 1064847933 /nfs/dbraw/zinc/84/79/33/1064847933.db2.gz DOICECBGONMLNT-UHFFFAOYSA-N 0 0 454.596 4.636 20 0 JJADRN CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c21)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001360037844 1064848047 /nfs/dbraw/zinc/84/80/47/1064848047.db2.gz WLCARRKYMCSANO-HXUWFJFHSA-N 0 0 453.468 4.942 20 0 JJADRN CNC(=O)CCCN(C)C(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC001435582754 1064848759 /nfs/dbraw/zinc/84/87/59/1064848759.db2.gz MRLLUNGZDGTPFW-UHFFFAOYSA-N 0 0 456.384 4.515 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)cc2)cc1 ZINC001435582693 1064848779 /nfs/dbraw/zinc/84/87/79/1064848779.db2.gz GJEKCXXLVDHNBN-INIZCTEOSA-N 0 0 454.929 4.838 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccnn1CCc1ccccc1 ZINC001435583169 1064848825 /nfs/dbraw/zinc/84/88/25/1064848825.db2.gz BTICINGJMRAQHW-UHFFFAOYSA-N 0 0 457.328 4.709 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccccc3-n3cccn3)c2)cc1 ZINC001435584551 1064849324 /nfs/dbraw/zinc/84/93/24/1064849324.db2.gz HLOMJBLOHVQMOX-UHFFFAOYSA-N 0 0 453.542 4.903 20 0 JJADRN CC[C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(Br)cc1 ZINC001435585327 1064850420 /nfs/dbraw/zinc/85/04/20/1064850420.db2.gz FQVVHFUFJZNAIS-GDBMZVCRSA-N 0 0 453.739 4.657 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC001435584981 1064850473 /nfs/dbraw/zinc/85/04/73/1064850473.db2.gz BWVSVCDHFHSENT-OAQYLSRUSA-N 0 0 454.983 4.710 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(C(C)(C)C)n2CCCCc2ccccc2)CC1 ZINC001360038687 1064850446 /nfs/dbraw/zinc/85/04/46/1064850446.db2.gz IOCNMPDOVCQNLL-UHFFFAOYSA-N 0 0 455.647 4.903 20 0 JJADRN O=C(Oc1cc(Br)ccc1Cl)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001435587832 1064852127 /nfs/dbraw/zinc/85/21/27/1064852127.db2.gz QCYVCZWRLQOCDL-LLVKDONJSA-N 0 0 452.761 4.929 20 0 JJADRN COc1cc(F)cc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001435587827 1064852213 /nfs/dbraw/zinc/85/22/13/1064852213.db2.gz LQPCRLKERXLYIH-UWJYYQICSA-N 0 0 450.913 4.631 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Oc2cc(Br)ccc2Cl)CC1 ZINC001435588017 1064852997 /nfs/dbraw/zinc/85/29/97/1064852997.db2.gz SIRROWISWFWDOL-UHFFFAOYSA-N 0 0 450.760 4.879 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@]1(F)c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360039818 1064854301 /nfs/dbraw/zinc/85/43/01/1064854301.db2.gz MFAOIJIKYPHAKR-JZSIBJPYSA-N 0 0 450.598 4.884 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1F ZINC001360040153 1064854380 /nfs/dbraw/zinc/85/43/80/1064854380.db2.gz NYGILYOHIJFSEZ-UHFFFAOYSA-N 0 0 459.153 4.867 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC001435589410 1064855076 /nfs/dbraw/zinc/85/50/76/1064855076.db2.gz WKYHJGAHJXZGNY-HXUWFJFHSA-N 0 0 455.308 4.623 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCCOc1ccccc1Cl ZINC001435590068 1064856027 /nfs/dbraw/zinc/85/60/27/1064856027.db2.gz ZTDADNLSKRLYCE-LJQANCHMSA-N 0 0 454.748 4.634 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001435590569 1064856043 /nfs/dbraw/zinc/85/60/43/1064856043.db2.gz BUGAIWAOVYLCJY-HXUWFJFHSA-N 0 0 455.345 4.649 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS2)CC1 ZINC001360041607 1064857805 /nfs/dbraw/zinc/85/78/05/1064857805.db2.gz FDHKAUJYHHLUER-GOSISDBHSA-N 0 0 478.062 4.799 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)c2ccc(F)cc2)CC1 ZINC001360041610 1064857849 /nfs/dbraw/zinc/85/78/49/1064857849.db2.gz FEDMNDSZANWXSU-NZQKXSOJSA-N 0 0 487.620 4.767 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)nc1C(C)C ZINC001435592175 1064858187 /nfs/dbraw/zinc/85/81/87/1064858187.db2.gz TXEBQEDIGSULGP-UHFFFAOYSA-N 0 0 456.543 4.817 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)nc1C(C)C ZINC001435592587 1064858632 /nfs/dbraw/zinc/85/86/32/1064858632.db2.gz XYVAVEUJNFTWTK-LBPRGKRZSA-N 0 0 455.374 4.920 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)nc1C(C)C ZINC001435592553 1064858668 /nfs/dbraw/zinc/85/86/68/1064858668.db2.gz WQYDALUGBOORLY-INIZCTEOSA-N 0 0 453.605 4.807 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001435593374 1064859285 /nfs/dbraw/zinc/85/92/85/1064859285.db2.gz SARQKVHBYNVVDH-QGZVFWFLSA-N 0 0 456.315 4.784 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001435593357 1064859521 /nfs/dbraw/zinc/85/95/21/1064859521.db2.gz OLYRWPUERUDKIZ-NOZRDPDXSA-N 0 0 457.534 4.580 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)cc1 ZINC001435594237 1064860075 /nfs/dbraw/zinc/86/00/75/1064860075.db2.gz KRVUTRZCCYRFEN-UHFFFAOYSA-N 0 0 451.544 4.582 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)CCC2)CC1 ZINC001360043307 1064860136 /nfs/dbraw/zinc/86/01/36/1064860136.db2.gz HHZYIZBKUJGDEI-LJQANCHMSA-N 0 0 473.593 4.662 20 0 JJADRN CC(=O)c1cc(F)c(NC(=O)c2ccc(I)cc2Cl)c(F)c1F ZINC001435595540 1064860605 /nfs/dbraw/zinc/86/06/05/1064860605.db2.gz KXFFZFZNWCJTHY-UHFFFAOYSA-N 0 0 453.585 4.817 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001360043577 1064860635 /nfs/dbraw/zinc/86/06/35/1064860635.db2.gz JUDONQARQKZKIW-MJGOQNOKSA-N 0 0 495.546 4.599 20 0 JJADRN CCCc1c(C(=O)N[C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cnn1-c1cccc(C)c1 ZINC001435594696 1064860674 /nfs/dbraw/zinc/86/06/74/1064860674.db2.gz YBZOWFYOGLOPTK-AZGAKELHSA-N 0 0 456.594 4.831 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C\c2ccccc2)CC1 ZINC001360043902 1064861439 /nfs/dbraw/zinc/86/14/39/1064861439.db2.gz OEGNUGOAKRRKID-TWGQIWQCSA-N 0 0 481.000 4.622 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C/c2ccccc2)CC1 ZINC001360043901 1064861458 /nfs/dbraw/zinc/86/14/58/1064861458.db2.gz OEGNUGOAKRRKID-RMKNXTFCSA-N 0 0 481.000 4.622 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3cccc4cccnc43)n2CCCC(F)(F)F)CC1 ZINC001360043896 1064861574 /nfs/dbraw/zinc/86/15/74/1064861574.db2.gz OBHYPTCWJVJOQL-UHFFFAOYSA-N 0 0 490.530 4.750 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cnn(C)c1I)[C@H]1CCC[C@@H](C)C1 ZINC001360043814 1064861650 /nfs/dbraw/zinc/86/16/50/1064861650.db2.gz JHBSFDORZFSJMV-QIIPPGSGSA-N 0 0 451.352 4.631 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cnn(C)c1I)[C@@H]1CCC[C@@H](C)C1 ZINC001360043811 1064861664 /nfs/dbraw/zinc/86/16/64/1064861664.db2.gz JHBSFDORZFSJMV-DDUZABMNSA-N 0 0 451.352 4.631 20 0 JJADRN COc1ncc(Br)cc1COC(=O)c1nccc2c(Br)cccc21 ZINC001435598212 1064862782 /nfs/dbraw/zinc/86/27/82/1064862782.db2.gz QVNUDQQVQYDESC-UHFFFAOYSA-N 0 0 452.102 4.520 20 0 JJADRN O=C(Nc1cccnc1OCC(F)F)c1ccc(COc2ccc(Br)cc2)o1 ZINC001435599329 1064863617 /nfs/dbraw/zinc/86/36/17/1064863617.db2.gz VGTCLANGHCBZEX-UHFFFAOYSA-N 0 0 453.239 4.912 20 0 JJADRN CC(C)c1nc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)nn1-c1cccc(F)c1 ZINC001435600208 1064864150 /nfs/dbraw/zinc/86/41/50/1064864150.db2.gz OZDVOFHWYCPUMR-AWEZNQCLSA-N 0 0 457.347 4.879 20 0 JJADRN O=C(Oc1c(F)cccc1Cl)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC001435600080 1064864169 /nfs/dbraw/zinc/86/41/69/1064864169.db2.gz FFJMESQADQUHDF-UHFFFAOYSA-N 0 0 451.928 4.507 20 0 JJADRN COc1ccc(SCCC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)cc1OC ZINC001435599564 1064864388 /nfs/dbraw/zinc/86/43/88/1064864388.db2.gz KDOMFOKAHKZNJF-AWEZNQCLSA-N 0 0 450.398 4.922 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360046409 1064865592 /nfs/dbraw/zinc/86/55/92/1064865592.db2.gz CRGFHQXHZYUSNC-HXUWFJFHSA-N 0 0 499.656 4.863 20 0 JJADRN COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001435601944 1064865739 /nfs/dbraw/zinc/86/57/39/1064865739.db2.gz BXOMLHDVBXQUKK-SFHVURJKSA-N 0 0 459.414 4.851 20 0 JJADRN CC[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1c(C)noc1C ZINC001435601492 1064865754 /nfs/dbraw/zinc/86/57/54/1064865754.db2.gz YMHQSUUSYFBTEL-CYBMUJFWSA-N 0 0 452.214 4.796 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360046548 1064866436 /nfs/dbraw/zinc/86/64/36/1064866436.db2.gz FZZYUELVDSHKCQ-UHFFFAOYSA-N 0 0 489.705 4.909 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCS2)CC1 ZINC001360046537 1064866480 /nfs/dbraw/zinc/86/64/80/1064866480.db2.gz FFIAHWILIKLKNK-HSZRJFAPSA-N 0 0 485.698 4.654 20 0 JJADRN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC001360048225 1064868504 /nfs/dbraw/zinc/86/85/04/1064868504.db2.gz CIUVGIUPYJEFLN-JOCHJYFZSA-N 0 0 459.571 4.549 20 0 JJADRN C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435605943 1064868774 /nfs/dbraw/zinc/86/87/74/1064868774.db2.gz DPGPFAASCAZQCQ-IBVKSMDESA-N 0 0 458.558 4.994 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)Cc2cc(Br)ccc2Cl)C2CC2)nc1C ZINC001360048460 1064869478 /nfs/dbraw/zinc/86/94/78/1064869478.db2.gz FBVYBWULOXSRPM-UHFFFAOYSA-N 0 0 457.777 4.782 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)NCCc1cc(Cl)ccc1Br ZINC001435606570 1064869608 /nfs/dbraw/zinc/86/96/08/1064869608.db2.gz MJVJQJBVVFSVKT-UHFFFAOYSA-N 0 0 452.805 4.674 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC001435607357 1064870174 /nfs/dbraw/zinc/87/01/74/1064870174.db2.gz CFSWLBQYWJSIBV-VFNWGFHPSA-N 0 0 453.457 4.649 20 0 JJADRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001435607355 1064870241 /nfs/dbraw/zinc/87/02/41/1064870241.db2.gz WSDWSNIBQCOQNG-UHFFFAOYSA-N 0 0 459.571 4.687 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC(F)(F)C2)n1 ZINC001360049119 1064870806 /nfs/dbraw/zinc/87/08/06/1064870806.db2.gz OBHVFCYKYRXWBX-CEXWTWQISA-N 0 0 496.603 4.751 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccccc3F)n2CC2CC(F)(F)C2)n1 ZINC001360049565 1064872117 /nfs/dbraw/zinc/87/21/17/1064872117.db2.gz UBXDFEVONAPFCH-HNNXBMFYSA-N 0 0 478.519 4.883 20 0 JJADRN CCOc1cccc(CCNC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)c1 ZINC001435608979 1064872448 /nfs/dbraw/zinc/87/24/48/1064872448.db2.gz IVXPXBFAURFPEY-UHFFFAOYSA-N 0 0 459.340 4.696 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)ncc1Br)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435608991 1064872488 /nfs/dbraw/zinc/87/24/88/1064872488.db2.gz IWMVVDAEEKMTLL-YJYMSZOUSA-N 0 0 453.764 4.553 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(C3CC3)n2CC2CCC(F)(F)CC2)n1 ZINC001360049786 1064872779 /nfs/dbraw/zinc/87/27/79/1064872779.db2.gz YVPKTAFDFUVCBF-OAHLLOKOSA-N 0 0 452.550 4.734 20 0 JJADRN CC(C)COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001360049715 1064872811 /nfs/dbraw/zinc/87/28/11/1064872811.db2.gz WQMNXGZFTQYDOU-LJQANCHMSA-N 0 0 495.933 4.844 20 0 JJADRN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC001435609777 1064873042 /nfs/dbraw/zinc/87/30/42/1064873042.db2.gz PBVOKVBPJSGQJX-RZPHLTDDSA-N 0 0 450.648 4.929 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n(-c2ccccc2)n1 ZINC001435609413 1064873301 /nfs/dbraw/zinc/87/33/01/1064873301.db2.gz KCYKVULTSCTPFV-HXUWFJFHSA-N 0 0 452.558 4.818 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCc1cscn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435609818 1064873707 /nfs/dbraw/zinc/87/37/07/1064873707.db2.gz PZHQNQFALQNMAD-MHECFPHRSA-N 0 0 452.576 4.777 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCc1cscn1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435609819 1064873873 /nfs/dbraw/zinc/87/38/73/1064873873.db2.gz PZHQNQFALQNMAD-UUOWRZLLSA-N 0 0 452.576 4.777 20 0 JJADRN CC(C)COc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2)cc1 ZINC001360049833 1064873726 /nfs/dbraw/zinc/87/37/26/1064873726.db2.gz AMDJOGHOTNNWJO-OYRHEFFESA-N 0 0 469.630 4.732 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(F)c1F ZINC001435610291 1064874471 /nfs/dbraw/zinc/87/44/71/1064874471.db2.gz IAQVHPJRHQGGCH-INIZCTEOSA-N 0 0 456.514 4.597 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)NC(Cc3ccccc3F)Cc3ccccc3F)CC2=O)CC1 ZINC001435610682 1064874563 /nfs/dbraw/zinc/87/45/63/1064874563.db2.gz QVBHQUALRQYZCB-STDCAVTESA-N 0 0 454.561 4.662 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(F)c1F ZINC001435610292 1064874631 /nfs/dbraw/zinc/87/46/31/1064874631.db2.gz IAQVHPJRHQGGCH-MRXNPFEDSA-N 0 0 456.514 4.597 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(C)C)nnc2N2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC001360050469 1064875391 /nfs/dbraw/zinc/87/53/91/1064875391.db2.gz UAXFNILVTUSPTC-JOCHJYFZSA-N 0 0 456.631 4.507 20 0 JJADRN Cc1cc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)ccc1C(=O)NC(C)C ZINC001360050824 1064876619 /nfs/dbraw/zinc/87/66/19/1064876619.db2.gz DFCHGZLYIHWHLR-OAQYLSRUSA-N 0 0 458.400 4.671 20 0 JJADRN CC(C)COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC=C(Br)C2)cc1 ZINC001360050666 1064876735 /nfs/dbraw/zinc/87/67/35/1064876735.db2.gz ZDRQCZPSKCDFFG-UHFFFAOYSA-N 0 0 482.426 4.836 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCC1(Cc2ccccc2)CC1 ZINC001435613697 1064876944 /nfs/dbraw/zinc/87/69/44/1064876944.db2.gz HEDKCLNZZYFOBG-UHFFFAOYSA-N 0 0 455.480 4.830 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1 ZINC001360050986 1064877289 /nfs/dbraw/zinc/87/72/89/1064877289.db2.gz BPPQHUBCYCXAOP-ROUUACIJSA-N 0 0 455.555 4.648 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360050998 1064877410 /nfs/dbraw/zinc/87/74/10/1064877410.db2.gz CFFSOLBDAHQXHA-CVEARBPZSA-N 0 0 451.995 4.700 20 0 JJADRN CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC001435614824 1064877681 /nfs/dbraw/zinc/87/76/81/1064877681.db2.gz MJJSBCVIYOQXLW-UHFFFAOYSA-N 0 0 453.545 4.573 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)c1 ZINC001360051341 1064877949 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UHHSNJNLFRXGIS-NXVVXOECSA-N 0 0 456.542 4.760 20 0 JJADRN CC(C)COc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC=C(Br)C2)c1 ZINC001360052495 1064880622 /nfs/dbraw/zinc/88/06/22/1064880622.db2.gz OADGXPSFJYBNPW-UHFFFAOYSA-N 0 0 482.426 4.836 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC001360052313 1064880885 /nfs/dbraw/zinc/88/08/85/1064880885.db2.gz MGABEZGOHANSBO-HSZRJFAPSA-N 0 0 481.685 4.692 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC001435619242 1064881258 /nfs/dbraw/zinc/88/12/58/1064881258.db2.gz QRVSYWVMIGYESB-QHCPKHFHSA-N 0 0 459.999 4.985 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC001435619237 1064881297 /nfs/dbraw/zinc/88/12/97/1064881297.db2.gz QRVSYWVMIGYESB-HSZRJFAPSA-N 0 0 459.999 4.985 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c1 ZINC001435618564 1064881354 /nfs/dbraw/zinc/88/13/54/1064881354.db2.gz HHPYZTZIUNMPSO-UHFFFAOYSA-N 0 0 459.852 4.910 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001435618244 1064881377 /nfs/dbraw/zinc/88/13/77/1064881377.db2.gz DZEJIXYZTLWIBO-UHFFFAOYSA-N 0 0 456.264 4.547 20 0 JJADRN Cc1c(NC(=O)Cc2cc3c(cc2Br)OCCO3)cnn1-c1cc(C)ccc1C ZINC001435618944 1064881469 /nfs/dbraw/zinc/88/14/69/1064881469.db2.gz FFGCVOJRKFTGJF-UHFFFAOYSA-N 0 0 456.340 4.512 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360052794 1064881459 /nfs/dbraw/zinc/88/14/59/1064881459.db2.gz QTFFVMHFKBMFQV-HSZRJFAPSA-N 0 0 490.652 4.554 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360053713 1064881971 /nfs/dbraw/zinc/88/19/71/1064881971.db2.gz DIIJHJARRXFDIE-GOSISDBHSA-N 0 0 489.414 4.857 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cncc2nc(C(F)(F)F)n(C)c21 ZINC001360053958 1064882534 /nfs/dbraw/zinc/88/25/34/1064882534.db2.gz IETDQGLFVAYAAP-UHFFFAOYSA-N 0 0 454.474 4.775 20 0 JJADRN CC(C)COc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360053821 1064882669 /nfs/dbraw/zinc/88/26/69/1064882669.db2.gz FRRAPEGLOFOLAD-WOJBJXKFSA-N 0 0 451.640 4.677 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001360054533 1064883397 /nfs/dbraw/zinc/88/33/97/1064883397.db2.gz LPBQPEMGQQNMJG-UHFFFAOYSA-N 0 0 481.685 4.789 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)c1Cl ZINC001435622179 1064883545 /nfs/dbraw/zinc/88/35/45/1064883545.db2.gz QZSSSOYNJMOANS-UHFFFAOYSA-N 0 0 453.651 4.936 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360055302 1064884703 /nfs/dbraw/zinc/88/47/03/1064884703.db2.gz QYOMKNYBGNRFQG-UHFFFAOYSA-N 0 0 480.575 4.988 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001360055714 1064885604 /nfs/dbraw/zinc/88/56/04/1064885604.db2.gz VHBXMXGUHHEIKE-PMACEKPBSA-N 0 0 481.666 4.978 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CSCCS2)C1 ZINC001360056160 1064886459 /nfs/dbraw/zinc/88/64/59/1064886459.db2.gz BAHUKUOLTXRNGN-MOPGFXCFSA-N 0 0 497.528 4.808 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)COCCc1ccc(Br)cc1 ZINC001360056342 1064887004 /nfs/dbraw/zinc/88/70/04/1064887004.db2.gz BVRVSAKAZLBTHL-FQEVSTJZSA-N 0 0 452.364 4.757 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccco1 ZINC001360056240 1064887162 /nfs/dbraw/zinc/88/71/62/1064887162.db2.gz DAAPDRJSOGVSBZ-MSUUIHNZSA-N 0 0 454.523 4.878 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C1(OCc2ccccc2)CCOCC1 ZINC001360056456 1064887770 /nfs/dbraw/zinc/88/77/70/1064887770.db2.gz DYIJMJBBWKWYAN-UHFFFAOYSA-N 0 0 452.526 4.638 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001360056470 1064887828 /nfs/dbraw/zinc/88/78/28/1064887828.db2.gz FDCDJUAXILBAMH-RHSMWYFYSA-N 0 0 458.477 4.770 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626296 1064888090 /nfs/dbraw/zinc/88/80/90/1064888090.db2.gz TXIJKDRUKOAVGB-MLOCNFCWSA-N 0 0 451.611 4.570 20 0 JJADRN 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CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001435825850 1065010957 /nfs/dbraw/zinc/01/09/57/1065010957.db2.gz BDDVZWVUIIKELB-IZZGNVEXSA-N 0 0 463.018 4.612 20 0 JJADRN Cc1ccccc1C(NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1C ZINC001435826793 1065011363 /nfs/dbraw/zinc/01/13/63/1065011363.db2.gz JUVBFBBHHGDUEG-UHFFFAOYSA-N 0 0 451.588 4.772 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1 ZINC001360122502 1065011805 /nfs/dbraw/zinc/01/18/05/1065011805.db2.gz JOOJEQFEUSVITG-IBGZPJMESA-N 0 0 477.993 4.577 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC(F)F ZINC001360122536 1065011861 /nfs/dbraw/zinc/01/18/61/1065011861.db2.gz KSDJYLGWSYPPBU-UHFFFAOYSA-N 0 0 464.538 4.822 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCn1cc(Br)cn1 ZINC001360122929 1065012923 /nfs/dbraw/zinc/01/29/23/1065012923.db2.gz TUNIWGSVMWAWIM-KRWDZBQOSA-N 0 0 493.475 4.698 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001435828966 1065012882 /nfs/dbraw/zinc/01/28/82/1065012882.db2.gz CGYILGPCQARQBN-GCJKJVERSA-N 0 0 450.510 4.581 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001435829287 1065012946 /nfs/dbraw/zinc/01/29/46/1065012946.db2.gz HNBOKWPFBHVMBR-GCJKJVERSA-N 0 0 451.954 4.522 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001435828968 1065013087 /nfs/dbraw/zinc/01/30/87/1065013087.db2.gz CGYILGPCQARQBN-PGRDOPGGSA-N 0 0 450.510 4.581 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001435829322 1065013518 /nfs/dbraw/zinc/01/35/18/1065013518.db2.gz IAJAVNRUTUZEEB-UTKZUKDTSA-N 0 0 452.551 4.655 20 0 JJADRN Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC001435829453 1065013577 /nfs/dbraw/zinc/01/35/77/1065013577.db2.gz GDVMRSOWOSWGJV-HXUWFJFHSA-N 0 0 453.336 4.861 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCOc1cccc(F)c1 ZINC001360123580 1065014700 /nfs/dbraw/zinc/01/47/00/1065014700.db2.gz JWWIFAQSBGUORG-UHFFFAOYSA-N 0 0 451.571 4.959 20 0 JJADRN CN(C(=O)COc1ccc(Br)cc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435835027 1065015548 /nfs/dbraw/zinc/01/55/48/1065015548.db2.gz QPJSBLSUDYZHGP-LPHOPBHVSA-N 0 0 456.739 4.999 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(I)cc1 ZINC001435836666 1065016342 /nfs/dbraw/zinc/01/63/42/1065016342.db2.gz NYJKPOHHMUYURR-BKTGTZMESA-N 0 0 453.295 4.570 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCOCC1 ZINC001360124220 1065016663 /nfs/dbraw/zinc/01/66/63/1065016663.db2.gz XRPKFFIOJRYXFV-UHFFFAOYSA-N 0 0 487.645 4.584 20 0 JJADRN CC[C@@H](OC1CCCC1)C(=O)Oc1ccc(I)c(Br)c1 ZINC001435837952 1065016765 /nfs/dbraw/zinc/01/67/65/1065016765.db2.gz WOBGPFZFCADWIC-CQSZACIVSA-N 0 0 453.114 4.697 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)Nc3cc(C(=O)OC(C)(C)C)ccc3Br)ccc21 ZINC001435837594 1065016854 /nfs/dbraw/zinc/01/68/54/1065016854.db2.gz VGFWUJQXDKNIJK-UHFFFAOYSA-N 0 0 459.340 4.566 20 0 JJADRN CCc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)CCO2 ZINC001435837810 1065016880 /nfs/dbraw/zinc/01/68/80/1065016880.db2.gz PVUFHJZRSPNQKO-QGZVFWFLSA-N 0 0 453.174 4.957 20 0 JJADRN Cc1cccc(CN2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC2)c1 ZINC001435838043 1065016892 /nfs/dbraw/zinc/01/68/92/1065016892.db2.gz URMLIOFZDLMTOJ-UHFFFAOYSA-N 0 0 459.281 4.873 20 0 JJADRN Cc1c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccn1Cc1ccccc1 ZINC001360124794 1065017273 /nfs/dbraw/zinc/01/72/73/1065017273.db2.gz MBOBRNHENUYMPT-UHFFFAOYSA-N 0 0 452.558 4.589 20 0 JJADRN Cn1c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1-c1ccc(F)cc1 ZINC001360124914 1065017339 /nfs/dbraw/zinc/01/73/39/1065017339.db2.gz QOLWZOOKOWYGFL-UHFFFAOYSA-N 0 0 456.521 4.575 20 0 JJADRN CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1c3ccccc3OCCN1C(=O)OC(C)(C)C)CCO2 ZINC001435839105 1065017449 /nfs/dbraw/zinc/01/74/49/1065017449.db2.gz VNHAMRHAMZTTME-REWPJTCUSA-N 0 0 452.551 4.560 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)nnc2-c2ccco2)cc1 ZINC001435839997 1065017823 /nfs/dbraw/zinc/01/78/23/1065017823.db2.gz SQRSWWYYYFFPLU-RCCFBDPRSA-N 0 0 454.596 4.959 20 0 JJADRN COCC(=O)N1CCc2c1cccc2NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC001435840364 1065018414 /nfs/dbraw/zinc/01/84/14/1065018414.db2.gz BLDRAZLLTDCAEY-UHFFFAOYSA-N 0 0 450.922 4.560 20 0 JJADRN Cc1cc(Br)c(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)cc1Cl ZINC001435841330 1065018770 /nfs/dbraw/zinc/01/87/70/1065018770.db2.gz IATPETQMLMRMQC-UHFFFAOYSA-N 0 0 456.745 4.954 20 0 JJADRN COC(=O)c1sc(NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)nc1C1CCCC1 ZINC001435841457 1065018899 /nfs/dbraw/zinc/01/88/99/1065018899.db2.gz NXGSGTCVFUDPPP-UHFFFAOYSA-N 0 0 459.568 4.621 20 0 JJADRN CN(C(=O)c1ccc(I)cc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001435843270 1065020099 /nfs/dbraw/zinc/02/00/99/1065020099.db2.gz VDFLYCRZNQROLF-MAUKXSAKSA-N 0 0 457.258 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001360127273 1065021223 /nfs/dbraw/zinc/02/12/23/1065021223.db2.gz QSAYEXJEROKZOZ-LJQANCHMSA-N 0 0 459.587 4.564 20 0 JJADRN COc1ccc(CCCC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(OC)c1 ZINC001360127735 1065021570 /nfs/dbraw/zinc/02/15/70/1065021570.db2.gz YZBYZQXGJYPIIW-UHFFFAOYSA-N 0 0 454.567 4.958 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)O[C@H](C)C2 ZINC001360127516 1065021635 /nfs/dbraw/zinc/02/16/35/1065021635.db2.gz VIOMTBLVYCNNAS-ZLDLUXBVSA-N 0 0 451.407 4.856 20 0 JJADRN CSc1cc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc1Br ZINC001360127539 1065021693 /nfs/dbraw/zinc/02/16/93/1065021693.db2.gz VTIZIRFGHSYVKX-CYBMUJFWSA-N 0 0 457.340 4.781 20 0 JJADRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001435848783 1065022005 /nfs/dbraw/zinc/02/20/05/1065022005.db2.gz ANJJIRZCZAEQBD-UQVLAFNGSA-N 0 0 451.432 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435849985 1065022392 /nfs/dbraw/zinc/02/23/92/1065022392.db2.gz KPZCMPVTDSZMFH-KGLIPLIRSA-N 0 0 452.420 4.653 20 0 JJADRN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435850395 1065022647 /nfs/dbraw/zinc/02/26/47/1065022647.db2.gz BSMGWBNRFGIORB-UHFFFAOYSA-N 0 0 454.368 4.637 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)C2CCC(C(=O)N(C)C)CC2)CCC3)cc1F ZINC001435852278 1065024185 /nfs/dbraw/zinc/02/41/85/1065024185.db2.gz PNSDIIPLHJDUTK-UHFFFAOYSA-N 0 0 456.583 4.748 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1csc(-c3ccc(OC)c(OC)c3)n1)[C@@H]2C ZINC001435852958 1065025009 /nfs/dbraw/zinc/02/50/09/1065025009.db2.gz HFQRFULJGCBUOR-HZPDHXFCSA-N 0 0 452.576 4.913 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1csc(-c3ccc(OC)c(OC)c3)n1)[C@@H]2C ZINC001435852964 1065025163 /nfs/dbraw/zinc/02/51/63/1065025163.db2.gz HFQRFULJGCBUOR-JKSUJKDBSA-N 0 0 452.576 4.913 20 0 JJADRN COc1cccc([C@H](OC(=O)c2nc(NCc3ccco3)ncc2Cl)c2ccncc2)c1 ZINC001435853059 1065025188 /nfs/dbraw/zinc/02/51/88/1065025188.db2.gz RJYDYJRVNKILBX-OAQYLSRUSA-N 0 0 450.882 4.685 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)C[C@H](C)c3ccccc3F)c2C)c1 ZINC001435853745 1065025641 /nfs/dbraw/zinc/02/56/41/1065025641.db2.gz DGFWCUHAAQUCJR-XDHUDOTRSA-N 0 0 451.542 4.731 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)[C@H]1CCCOC1 ZINC001435854581 1065026084 /nfs/dbraw/zinc/02/60/84/1065026084.db2.gz LPUVWKOUUOOAMF-XUZZJYLKSA-N 0 0 453.579 4.651 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)c2csc(-c3cc(Br)cs3)n2)c(F)c1 ZINC001435854776 1065026670 /nfs/dbraw/zinc/02/66/70/1065026670.db2.gz GEBNAJQIACCKOI-UHFFFAOYSA-N 0 0 456.314 4.708 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2Cl)C2CCCC2)c1 ZINC001360131604 1065026815 /nfs/dbraw/zinc/02/68/15/1065026815.db2.gz LFJSZCKCACVXMI-UHFFFAOYSA-N 0 0 455.407 4.829 20 0 JJADRN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435856119 1065027067 /nfs/dbraw/zinc/02/70/67/1065027067.db2.gz VGESNLUAOLCOHB-DLBZAZTESA-N 0 0 450.295 4.709 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC001360132730 1065027659 /nfs/dbraw/zinc/02/76/59/1065027659.db2.gz WZWSAGOFEZAAQI-LJQANCHMSA-N 0 0 455.530 4.986 20 0 JJADRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c(Br)cccc1Br ZINC001360132783 1065027751 /nfs/dbraw/zinc/02/77/51/1065027751.db2.gz XIZNWFCQRWHKJI-CYBMUJFWSA-N 0 0 456.153 4.750 20 0 JJADRN O=C(CCCc1ccc(Br)cc1)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001435857556 1065028356 /nfs/dbraw/zinc/02/83/56/1065028356.db2.gz XHVWSBKKUVRIGS-UHFFFAOYSA-N 0 0 451.792 4.896 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc(C(F)(F)F)c(F)c3C)c12 ZINC001435858336 1065028718 /nfs/dbraw/zinc/02/87/18/1065028718.db2.gz INACBINJXZEEOG-AWEZNQCLSA-N 0 0 450.436 4.946 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001435857948 1065028856 /nfs/dbraw/zinc/02/88/56/1065028856.db2.gz DYMHSITUUZAIDY-HNNXBMFYSA-N 0 0 453.391 4.988 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001435857902 1065028896 /nfs/dbraw/zinc/02/88/96/1065028896.db2.gz DHZVANSGZALVDV-RAXLEYEMSA-N 0 0 454.375 4.749 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)c2cc(I)c(F)cc2F)cc1F ZINC001435860367 1065029545 /nfs/dbraw/zinc/02/95/45/1065029545.db2.gz WJDBXYXBKABPJU-UHFFFAOYSA-N 0 0 453.173 4.887 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1NC(=O)c1ccccc1 ZINC001435860827 1065029774 /nfs/dbraw/zinc/02/97/74/1065029774.db2.gz WTFGKXLIKXWOFY-LJQANCHMSA-N 0 0 456.468 4.940 20 0 JJADRN Cc1cc(NC(=O)c2csc(COc3ccc(F)cc3)n2)ccc1-n1nnnc1C(C)C ZINC001435861121 1065030093 /nfs/dbraw/zinc/03/00/93/1065030093.db2.gz LQLQHFFMDIUNBG-UHFFFAOYSA-N 0 0 452.515 4.521 20 0 JJADRN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001360134993 1065031189 /nfs/dbraw/zinc/03/11/89/1065031189.db2.gz JPKWYJFOAQEXBX-HNNXBMFYSA-N 0 0 455.440 4.833 20 0 JJADRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435863617 1065031062 /nfs/dbraw/zinc/03/10/62/1065031062.db2.gz PKKMHMBOFUFGCD-GOSISDBHSA-N 0 0 458.402 4.977 20 0 JJADRN C[C@@H]1COc2ccccc2CN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001435864004 1065031205 /nfs/dbraw/zinc/03/12/05/1065031205.db2.gz YHZGGMXBSQVSRZ-UEVCKROQSA-N 0 0 450.579 4.522 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@@H](C)Cc2cnn(C)c2)c1NC(=O)OC(C)(C)C ZINC001435863917 1065031229 /nfs/dbraw/zinc/03/12/29/1065031229.db2.gz YWYMDYSCKSHZOD-ZDUSSCGKSA-N 0 0 451.365 4.655 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)NCCc3ccc(Br)cc3)c2C(F)(F)F)c1 ZINC001360135068 1065031545 /nfs/dbraw/zinc/03/15/45/1065031545.db2.gz VSEAOUBSZMTALQ-UHFFFAOYSA-N 0 0 452.274 4.935 20 0 JJADRN Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1-c1nnnn1C1CC1 ZINC001435866396 1065033782 /nfs/dbraw/zinc/03/37/82/1065033782.db2.gz UEWBAIVGYYTGLL-UHFFFAOYSA-N 0 0 452.729 4.961 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(-n2cnnc2)cc1 ZINC001435867049 1065033885 /nfs/dbraw/zinc/03/38/85/1065033885.db2.gz AVNRWHLYFOKZTD-UHFFFAOYSA-N 0 0 455.902 4.934 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC001435869311 1065035253 /nfs/dbraw/zinc/03/52/53/1065035253.db2.gz ITCHOENERQYFTK-BXKMTCNYSA-N 0 0 454.617 4.944 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1sc2cccc(F)c2c1COC ZINC001435870507 1065036354 /nfs/dbraw/zinc/03/63/54/1065036354.db2.gz MJZHOWBHVJTWFJ-RUZDIDTESA-N 0 0 455.551 4.967 20 0 JJADRN O=C(CCn1cnc2ccccc2c1=O)OCc1cc(Cl)c(Br)c(Cl)c1 ZINC001435872946 1065037202 /nfs/dbraw/zinc/03/72/02/1065037202.db2.gz WSAXKDVCUDJIBJ-UHFFFAOYSA-N 0 0 456.123 4.599 20 0 JJADRN O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875154 1065038207 /nfs/dbraw/zinc/03/82/07/1065038207.db2.gz DEXQWCXMXQWLNJ-AWEZNQCLSA-N 0 0 457.796 4.589 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001435875180 1065038504 /nfs/dbraw/zinc/03/85/04/1065038504.db2.gz MGGJQLJEZNRJNC-UHFFFAOYSA-N 0 0 458.918 4.608 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC001435876405 1065039098 /nfs/dbraw/zinc/03/90/98/1065039098.db2.gz WJYLFSAJBIKIQP-VXWZWFMZSA-N 0 0 458.986 4.622 20 0 JJADRN O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876175 1065039144 /nfs/dbraw/zinc/03/91/44/1065039144.db2.gz QRRRQUPQBYBXLE-HNNXBMFYSA-N 0 0 457.796 4.589 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001360140738 1065039140 /nfs/dbraw/zinc/03/91/40/1065039140.db2.gz AIUAWDACWHCXRR-LYSGITKLSA-N 0 0 452.334 4.787 20 0 JJADRN Cc1noc(C[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)c2ccccc2)n1 ZINC001435876667 1065039761 /nfs/dbraw/zinc/03/97/61/1065039761.db2.gz CJEHGDFNCXLUEW-KRWDZBQOSA-N 0 0 453.296 4.509 20 0 JJADRN COc1ccc(Br)c(OC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1 ZINC001435878950 1065040084 /nfs/dbraw/zinc/04/00/84/1065040084.db2.gz TXFFTVIWJCRNGD-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN CC[C@@H](Sc1ccccc1)C(=O)N(CCC(=O)OC)Cc1cccc(Br)c1 ZINC001435878677 1065040132 /nfs/dbraw/zinc/04/01/32/1065040132.db2.gz DKBFPRORZVILMD-LJQANCHMSA-N 0 0 450.398 4.912 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(-n4cccc4)ccc3F)cc2)C1 ZINC001360141452 1065040228 /nfs/dbraw/zinc/04/02/28/1065040228.db2.gz KINFVOZDMAVUIU-QZTJIDSGSA-N 0 0 455.555 4.535 20 0 JJADRN COc1cc(NC(=O)Cc2c(C)nn(C(C)C)c2C)c(Br)cc1Br ZINC001435879847 1065040529 /nfs/dbraw/zinc/04/05/29/1065040529.db2.gz GJINTRBZXLUJJL-UHFFFAOYSA-N 0 0 459.182 4.796 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)s1 ZINC001435879813 1065040639 /nfs/dbraw/zinc/04/06/39/1065040639.db2.gz JPTWDAJHPFHYLU-UHFFFAOYSA-N 0 0 457.360 4.576 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)CCc3ccc(F)c4c3CCCC4)c2)n1 ZINC001435880952 1065041314 /nfs/dbraw/zinc/04/13/14/1065041314.db2.gz YHUNWMKYLVWUOT-UHFFFAOYSA-N 0 0 452.551 4.864 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)CSCc1ccccn1)C1CC1 ZINC001435880767 1065041419 /nfs/dbraw/zinc/04/14/19/1065041419.db2.gz CSIPGJRRTSETCQ-HXUWFJFHSA-N 0 0 453.391 4.917 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C2CC2)nn1CC)C1CC1 ZINC001435880773 1065041521 /nfs/dbraw/zinc/04/15/21/1065041521.db2.gz DAOMZZTXOKVXRI-FQEVSTJZSA-N 0 0 450.366 4.996 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c32)cc(Br)c1F ZINC001435881169 1065041978 /nfs/dbraw/zinc/04/19/78/1065041978.db2.gz QOAZZPLAYBCQBY-UHFFFAOYSA-N 0 0 450.264 4.595 20 0 JJADRN COc1cc(NC(=O)c2c(C)noc2C(F)(F)F)c(Br)cc1Br ZINC001435881821 1065042390 /nfs/dbraw/zinc/04/23/90/1065042390.db2.gz XEIBBADSOBWYIE-UHFFFAOYSA-N 0 0 458.028 4.788 20 0 JJADRN Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)CCCNC(=O)c3ccc(F)cc3)c12 ZINC001435881688 1065042569 /nfs/dbraw/zinc/04/25/69/1065042569.db2.gz LMHGWKDKNJQWRG-UHFFFAOYSA-N 0 0 459.525 4.634 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001435882761 1065042990 /nfs/dbraw/zinc/04/29/90/1065042990.db2.gz DXZFIRCEWSNFEJ-UHFFFAOYSA-N 0 0 453.205 4.535 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C)c(C(=O)OC)o1)C1CC1 ZINC001435883896 1065043468 /nfs/dbraw/zinc/04/34/68/1065043468.db2.gz YQJSTRCPOJXAJB-QGZVFWFLSA-N 0 0 454.306 4.590 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)OCc2ccc(I)c(Cl)c2)s1 ZINC001435885388 1065043759 /nfs/dbraw/zinc/04/37/59/1065043759.db2.gz SJKFIKTZWMIEFZ-VIFPVBQESA-N 0 0 451.713 4.856 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)[C@@H](CCOC)Cc3cccc(Br)c3)cc2)nn1 ZINC001435886620 1065044534 /nfs/dbraw/zinc/04/45/34/1065044534.db2.gz CYCNFSYPYUIUNE-SFHVURJKSA-N 0 0 458.356 4.528 20 0 JJADRN CCc1c(NC(=O)c2cnn(CC)c2Br)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435886828 1065044893 /nfs/dbraw/zinc/04/48/93/1065044893.db2.gz KTKCXUUFUIQWSQ-UHFFFAOYSA-N 0 0 456.266 4.685 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cnn1-c1ccc(F)cc1 ZINC001435887871 1065045042 /nfs/dbraw/zinc/04/50/42/1065045042.db2.gz OPMIPXWCZNKTRA-QGZVFWFLSA-N 0 0 454.933 4.605 20 0 JJADRN CCc1c(NC(=O)Cc2cccc(N3CCCC3=O)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435888324 1065045598 /nfs/dbraw/zinc/04/55/98/1065045598.db2.gz YRDAXGROVPRAFR-UHFFFAOYSA-N 0 0 456.468 4.762 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H]1c1ccc(OC)cc1 ZINC001435889570 1065046707 /nfs/dbraw/zinc/04/67/07/1065046707.db2.gz FGOGITDAQCINGW-FEROLFGZSA-N 0 0 458.643 4.875 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC001360145836 1065047453 /nfs/dbraw/zinc/04/74/53/1065047453.db2.gz QJMNQLOWYNSMCV-UHFFFAOYSA-N 0 0 451.242 4.990 20 0 JJADRN CC[C@H](CN(C)C(=O)CC1(Cn2cnnn2)CCCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890306 1065047708 /nfs/dbraw/zinc/04/77/08/1065047708.db2.gz OJBDJFRLGXHNQH-MRXNPFEDSA-N 0 0 454.402 4.637 20 0 JJADRN CC(C)N(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(N2CCOCC2)cc1 ZINC001360146040 1065047761 /nfs/dbraw/zinc/04/77/61/1065047761.db2.gz SLRSXRBCQLWYKE-UHFFFAOYSA-N 0 0 458.484 4.783 20 0 JJADRN CCn1c(SCC(=O)NCc2c(Cl)cccc2OC)nnc1-c1ccc(Cl)cc1 ZINC001435891874 1065048552 /nfs/dbraw/zinc/04/85/52/1065048552.db2.gz QIFIXGMVHOAMFY-UHFFFAOYSA-N 0 0 451.379 4.689 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2c(Cl)cccc2OC)[C@H]1c1ccc(OC)cc1 ZINC001435892451 1065048656 /nfs/dbraw/zinc/04/86/56/1065048656.db2.gz VQNBICYKSFHSIC-NTKDMRAZSA-N 0 0 458.986 4.753 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001545893987 1065049885 /nfs/dbraw/zinc/04/98/85/1065049885.db2.gz MBGPDXYODIEHSB-UHFFFAOYSA-N 0 0 481.563 4.812 20 0 JJADRN Cc1noc(C)c1-c1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC001435897623 1065050812 /nfs/dbraw/zinc/05/08/12/1065050812.db2.gz HGSWTNSNQMPTAU-UHFFFAOYSA-N 0 0 454.548 4.661 20 0 JJADRN O=C(COc1ccc(N2CCCC2=O)cc1)Oc1cc(Cl)c(Br)cc1Cl ZINC001435898190 1065051300 /nfs/dbraw/zinc/05/13/00/1065051300.db2.gz PYDSABJVGSRQDH-UHFFFAOYSA-N 0 0 459.123 4.867 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)O[C@@H](C)c3cccc(OCc4ccccc4)c3)CC2=O)cc1 ZINC001435897836 1065051329 /nfs/dbraw/zinc/05/13/29/1065051329.db2.gz JHTIDHHIVLTNDL-RDPSFJRHSA-N 0 0 459.542 4.927 20 0 JJADRN COc1ccc(-c2nc(COC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)no2)cc1 ZINC001360148801 1065051550 /nfs/dbraw/zinc/05/15/50/1065051550.db2.gz OKRJZWGFEJELDN-UHFFFAOYSA-N 0 0 453.882 4.742 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC001360148964 1065051610 /nfs/dbraw/zinc/05/16/10/1065051610.db2.gz UPFNILGYHKTONX-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN O=C(NCc1cccc(C(F)F)c1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001435899170 1065052215 /nfs/dbraw/zinc/05/22/15/1065052215.db2.gz IGNNKBDBPQHRQR-UHFFFAOYSA-N 0 0 456.514 4.696 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccnn1C ZINC001435899605 1065052382 /nfs/dbraw/zinc/05/23/82/1065052382.db2.gz MUILBZSPWCVTRE-RBBKRZOGSA-N 0 0 456.384 4.859 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccnn1C ZINC001435899600 1065052445 /nfs/dbraw/zinc/05/24/45/1065052445.db2.gz MUILBZSPWCVTRE-IFMALSPDSA-N 0 0 456.384 4.859 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N(C)Cc3cc(OC)ccc3Br)nc2)cc1 ZINC001435902015 1065053601 /nfs/dbraw/zinc/05/36/01/1065053601.db2.gz NLWKYVUAAQVKJT-UHFFFAOYSA-N 0 0 457.324 4.926 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC001435901576 1065053627 /nfs/dbraw/zinc/05/36/27/1065053627.db2.gz TVYITFJEFFHUNV-ABAIWWIYSA-N 0 0 450.299 4.627 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001435901440 1065053719 /nfs/dbraw/zinc/05/37/19/1065053719.db2.gz SAYAQEJFFNZULC-NZQKXSOJSA-N 0 0 452.595 4.675 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3nnn(Cc4ccc(C(F)(F)F)cc4)c3C)no2)cc1 ZINC001435901657 1065053764 /nfs/dbraw/zinc/05/37/64/1065053764.db2.gz KRHMCARHBHCTQW-UHFFFAOYSA-N 0 0 457.412 4.570 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001435903586 1065054516 /nfs/dbraw/zinc/05/45/16/1065054516.db2.gz YUACPMYQXGOUMY-UHFFFAOYSA-N 0 0 457.880 4.650 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC001435903849 1065054959 /nfs/dbraw/zinc/05/49/59/1065054959.db2.gz XILPJRKRTQXHAL-UHFFFAOYSA-N 0 0 452.921 4.541 20 0 JJADRN C[C@H](CCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)CC(C)(C)C ZINC001435903844 1065055103 /nfs/dbraw/zinc/05/51/03/1065055103.db2.gz BXDACQSPLUHJAD-CABCVRRESA-N 0 0 457.566 4.590 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC001360152017 1065055577 /nfs/dbraw/zinc/05/55/77/1065055577.db2.gz XOYYMIKXVKOVFV-UHFFFAOYSA-N 0 0 458.558 4.721 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001360151416 1065055660 /nfs/dbraw/zinc/05/56/60/1065055660.db2.gz ATBNTNILMLZJBC-HSZRJFAPSA-N 0 0 458.558 4.721 20 0 JJADRN CSC[C@H](C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001360151902 1065055904 /nfs/dbraw/zinc/05/59/04/1065055904.db2.gz SXFCCFVREPVACX-LMDOGRNLSA-N 0 0 451.588 4.651 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435906758 1065056405 /nfs/dbraw/zinc/05/64/05/1065056405.db2.gz MUDJLFMVNIFACF-CYBMUJFWSA-N 0 0 454.851 4.699 20 0 JJADRN NC(=O)c1ccccc1CCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC001360153647 1065056555 /nfs/dbraw/zinc/05/65/55/1065056555.db2.gz BXIIVJDAQKPSKN-UHFFFAOYSA-N 0 0 456.546 4.880 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC001360153941 1065056957 /nfs/dbraw/zinc/05/69/57/1065056957.db2.gz KMYVPRNHEKIPTF-NRFANRHFSA-N 0 0 456.652 4.702 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001435908179 1065057133 /nfs/dbraw/zinc/05/71/33/1065057133.db2.gz CGYGYSRZSFLFMC-NXVRBGIVSA-N 0 0 451.405 4.500 20 0 JJADRN Cc1cc2c(o1)c(C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1)ccc2Br ZINC001435908382 1065057220 /nfs/dbraw/zinc/05/72/20/1065057220.db2.gz SOLSBRVAIOHODK-UHFFFAOYSA-N 0 0 459.731 4.976 20 0 JJADRN Cc1ccc(I)c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC001435908906 1065057695 /nfs/dbraw/zinc/05/76/95/1065057695.db2.gz VSCXBELTJDLFCZ-FZKQIMNGSA-N 0 0 455.723 4.855 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CC=CCC2)c2ccccc2c1=O ZINC001360156609 1065058533 /nfs/dbraw/zinc/05/85/33/1065058533.db2.gz GSXBZTUKYAJGHH-INIZCTEOSA-N 0 0 460.504 4.591 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CCOC(C)(C)C)c2ccccc2c1=O ZINC001360156642 1065058546 /nfs/dbraw/zinc/05/85/46/1065058546.db2.gz HSMRFORUWDRJOK-UHFFFAOYSA-N 0 0 454.619 4.533 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(I)c(F)cc1F ZINC001360158216 1065059310 /nfs/dbraw/zinc/05/93/10/1065059310.db2.gz KBYKJXFVXBDUNJ-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN COC(=O)c1ccc(CNC(=O)Cc2coc3c2ccc(Cl)c3C)c(Br)c1 ZINC001435911734 1065059375 /nfs/dbraw/zinc/05/93/75/1065059375.db2.gz SMSOSUUSWXTRKW-UHFFFAOYSA-N 0 0 450.716 4.803 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cnn(-c4ccccc4Cl)c3)CCCC2)c1 ZINC001360158194 1065059359 /nfs/dbraw/zinc/05/93/59/1065059359.db2.gz JHHAMLOCUDNKLS-UHFFFAOYSA-N 0 0 457.983 4.868 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001360160952 1065059919 /nfs/dbraw/zinc/05/99/19/1065059919.db2.gz XMOSJKGSKVNNDX-DBVUQKKJSA-N 0 0 451.007 4.966 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001435912520 1065059942 /nfs/dbraw/zinc/05/99/42/1065059942.db2.gz PKINXGQLWUEJSC-ZDUSSCGKSA-N 0 0 454.851 4.699 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCCOC1CCCC1 ZINC001360161560 1065060313 /nfs/dbraw/zinc/06/03/13/1065060313.db2.gz DUWWIQCRTLKADQ-SFHVURJKSA-N 0 0 453.587 4.709 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OCC3CCC3)CC2=O)c(OC)c1 ZINC001435913646 1065060508 /nfs/dbraw/zinc/06/05/08/1065060508.db2.gz HSBHSNTXOWSAIE-INIZCTEOSA-N 0 0 458.942 4.528 20 0 JJADRN Cc1ccc2oc(C(=O)N(C)Cc3cccc(Br)c3OC[C@@H]3CCCO3)cc2n1 ZINC001435913863 1065060740 /nfs/dbraw/zinc/06/07/40/1065060740.db2.gz NQKVEPCGDHBUDO-INIZCTEOSA-N 0 0 459.340 4.729 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cc(F)c(F)cc1F ZINC001435914012 1065060836 /nfs/dbraw/zinc/06/08/36/1065060836.db2.gz OZMNJAJSCRSRNY-ZDUSSCGKSA-N 0 0 458.274 4.696 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001360161714 1065060775 /nfs/dbraw/zinc/06/07/75/1065060775.db2.gz GFKCZMPOXHHLCG-FQEVSTJZSA-N 0 0 476.625 4.769 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360162491 1065061200 /nfs/dbraw/zinc/06/12/00/1065061200.db2.gz NQDIQMQCPCFWFX-IAGOWNOFSA-N 0 0 451.537 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360162670 1065061799 /nfs/dbraw/zinc/06/17/99/1065061799.db2.gz QQRIOWXQZAFKBB-OAHLLOKOSA-N 0 0 490.624 4.889 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360163617 1065062233 /nfs/dbraw/zinc/06/22/33/1065062233.db2.gz LAALFFAYJBRXDR-GOSISDBHSA-N 0 0 498.697 4.576 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1ccccc1 ZINC001435917915 1065062309 /nfs/dbraw/zinc/06/23/09/1065062309.db2.gz LVZCFFNAUCTUMP-MUUNZHRXSA-N 0 0 455.510 4.629 20 0 JJADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CCCC1 ZINC001435918327 1065062848 /nfs/dbraw/zinc/06/28/48/1065062848.db2.gz VFUBAKSYXRFWES-UHFFFAOYSA-N 0 0 458.990 4.551 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)c(OC)c1 ZINC001435918351 1065063041 /nfs/dbraw/zinc/06/30/41/1065063041.db2.gz VTECZGJVCBXWJW-SOFGYWHQSA-N 0 0 454.567 4.760 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3c(F)cccc3-n3cccn3)[nH]c(=O)c2c1C ZINC001360168615 1065063100 /nfs/dbraw/zinc/06/31/00/1065063100.db2.gz AULGBTLVYSQUDF-CYBMUJFWSA-N 0 0 457.556 4.599 20 0 JJADRN COC1CCC(C(=O)N2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001435919216 1065063399 /nfs/dbraw/zinc/06/33/99/1065063399.db2.gz BFFLXXXODXFVSB-UEUFPXFLSA-N 0 0 458.643 4.956 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919855 1065063539 /nfs/dbraw/zinc/06/35/39/1065063539.db2.gz DYQSWVKAHZDKRA-BKXMBWNOSA-N 0 0 456.627 4.756 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360169516 1065064089 /nfs/dbraw/zinc/06/40/89/1065064089.db2.gz IQOLOQJZYNHBTF-XLIONFOSSA-N 0 0 480.028 4.687 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H](c1cccnc1)C(C)C ZINC001360169615 1065064100 /nfs/dbraw/zinc/06/41/00/1065064100.db2.gz MDHXPGVKAFLMSP-GOSISDBHSA-N 0 0 461.035 4.602 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360169850 1065064568 /nfs/dbraw/zinc/06/45/68/1065064568.db2.gz VCHZSSARAHYBFI-WMZOPIPTSA-N 0 0 462.520 4.828 20 0 JJADRN NC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1N1CCCCC1 ZINC001360170044 1065064603 /nfs/dbraw/zinc/06/46/03/1065064603.db2.gz CKPPFEMTAQSFQH-UHFFFAOYSA-N 0 0 454.983 4.734 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)c(C(=O)NC2CC2)c1 ZINC001360171429 1065065237 /nfs/dbraw/zinc/06/52/37/1065065237.db2.gz CUFWSUHUEWQKEA-CYBMUJFWSA-N 0 0 455.967 4.908 20 0 JJADRN Cc1ccc(COC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1Br ZINC001435922899 1065065217 /nfs/dbraw/zinc/06/52/17/1065065217.db2.gz OFOOQFCUQFIRCD-UHFFFAOYSA-N 0 0 452.153 4.825 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001435922808 1065065270 /nfs/dbraw/zinc/06/52/70/1065065270.db2.gz FOTTUDFNXKOMMV-ZWKOTPCHSA-N 0 0 467.780 4.500 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001360172049 1065065507 /nfs/dbraw/zinc/06/55/07/1065065507.db2.gz SENUISXGTNQQMF-HXUWFJFHSA-N 0 0 457.014 4.817 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(CN(C)C)c(Br)c3)o2)cc1 ZINC001435923534 1065065937 /nfs/dbraw/zinc/06/59/37/1065065937.db2.gz BXCOABXPZWJUIY-UHFFFAOYSA-N 0 0 458.356 4.746 20 0 JJADRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCCNC(=O)c1cccc(Br)c1 ZINC001360173611 1065066024 /nfs/dbraw/zinc/06/60/24/1065066024.db2.gz FTZBJRYSQMMWLY-UHFFFAOYSA-N 0 0 451.364 4.595 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360173479 1065066104 /nfs/dbraw/zinc/06/61/04/1065066104.db2.gz ZNTHZUUYIVXULS-UHFFFAOYSA-N 0 0 478.641 4.585 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)c1 ZINC001360175050 1065066294 /nfs/dbraw/zinc/06/62/94/1065066294.db2.gz VVNDDVBGRXAUQH-OAQYLSRUSA-N 0 0 452.620 4.538 20 0 JJADRN Cn1c(C(=O)Nc2ccc(OCCc3ccccc3)nc2)cc2cc(Br)cnc21 ZINC001360177950 1065066987 /nfs/dbraw/zinc/06/69/87/1065066987.db2.gz KMGHLYSXBAUJQI-UHFFFAOYSA-N 0 0 451.324 4.605 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001435926053 1065067111 /nfs/dbraw/zinc/06/71/11/1065067111.db2.gz UFZCBOIZSLYZLJ-YGJVYZRNSA-N 0 0 452.979 4.729 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(Br)c(F)cc2F)c1 ZINC001435926042 1065067291 /nfs/dbraw/zinc/06/72/91/1065067291.db2.gz URYXPCKCIQBQKU-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC1 ZINC001360178232 1065067340 /nfs/dbraw/zinc/06/73/40/1065067340.db2.gz PXWMDJZVSLUPOD-GOSISDBHSA-N 0 0 452.551 4.615 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)c(Cl)c1 ZINC001360178809 1065067363 /nfs/dbraw/zinc/06/73/63/1065067363.db2.gz ZKFTYPFCKPYPIH-IBGZPJMESA-N 0 0 458.986 4.579 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)cc1Br ZINC001435927391 1065067672 /nfs/dbraw/zinc/06/76/72/1065067672.db2.gz MGKRFRLAMJNNJX-INIZCTEOSA-N 0 0 455.274 4.620 20 0 JJADRN CN(C)Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1Br ZINC001435927479 1065067685 /nfs/dbraw/zinc/06/76/85/1065067685.db2.gz YSPGQYZDCRPYNI-UHFFFAOYSA-N 0 0 450.764 4.543 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1)N1CCOCC1 ZINC001360179637 1065067718 /nfs/dbraw/zinc/06/77/18/1065067718.db2.gz QINNRBUVFVLOHO-KRWDZBQOSA-N 0 0 458.484 4.596 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC001360179205 1065067800 /nfs/dbraw/zinc/06/78/00/1065067800.db2.gz ADXYHXAYAUTVPR-SFHVURJKSA-N 0 0 452.986 4.847 20 0 JJADRN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001435928723 1065068092 /nfs/dbraw/zinc/06/80/92/1065068092.db2.gz MTVQDQVPTMARPX-MOPGFXCFSA-N 0 0 454.596 4.676 20 0 JJADRN CC(C)N(CC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)C(=O)OC(C)(C)C ZINC001435929543 1065068104 /nfs/dbraw/zinc/06/81/04/1065068104.db2.gz CPXXQEHIPWRNLO-LJQANCHMSA-N 0 0 453.421 4.922 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCCc1ccccc1OC(F)F ZINC001435928827 1065068177 /nfs/dbraw/zinc/06/81/77/1065068177.db2.gz ODUSFOVLOZVOBQ-UHFFFAOYSA-N 0 0 455.324 4.952 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 ZINC001360180771 1065068324 /nfs/dbraw/zinc/06/83/24/1065068324.db2.gz IBOHQALXRSCFDF-PMERELPUSA-N 0 0 455.376 4.559 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 ZINC001360180773 1065068473 /nfs/dbraw/zinc/06/84/73/1065068473.db2.gz IBOHQALXRSCFDF-SSEXGKCCSA-N 0 0 455.376 4.559 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(Oc3cccnn3)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001360180923 1065068493 /nfs/dbraw/zinc/06/84/93/1065068493.db2.gz LHLBYPGSVQOBTE-KKSFZXQISA-N 0 0 457.317 4.734 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(Oc3cccnn3)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001360180920 1065068509 /nfs/dbraw/zinc/06/85/09/1065068509.db2.gz LHLBYPGSVQOBTE-HRAATJIYSA-N 0 0 457.317 4.734 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)[C@H]1c1ccc(F)cc1 ZINC001435931333 1065068643 /nfs/dbraw/zinc/06/86/43/1065068643.db2.gz QKDRSVHSSFHZMD-QNWVGRARSA-N 0 0 473.386 4.635 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C2CC2)n1CC(C)(C)c1cccs1 ZINC001360181817 1065068723 /nfs/dbraw/zinc/06/87/23/1065068723.db2.gz SRCGFLLUDQCVFI-UHFFFAOYSA-N 0 0 455.603 4.764 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1C[C@H]1CCCC1(C)C ZINC001360181599 1065068762 /nfs/dbraw/zinc/06/87/62/1065068762.db2.gz KOYMEBLNQLJIDY-IFMALSPDSA-N 0 0 471.621 4.567 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001360181891 1065068792 /nfs/dbraw/zinc/06/87/92/1065068792.db2.gz WEZQLXZJHKCVPO-IBGZPJMESA-N 0 0 483.657 4.570 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001360182020 1065068884 /nfs/dbraw/zinc/06/88/84/1065068884.db2.gz ABGINVLOXZXQSC-UHFFFAOYSA-N 0 0 451.995 4.798 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)c(Cl)c1 ZINC001435931751 1065068992 /nfs/dbraw/zinc/06/89/92/1065068992.db2.gz UKFQFFXLZSZWRY-FQEVSTJZSA-N 0 0 450.347 4.639 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc3ocnc32)c(Cl)cc1Cl ZINC001435931975 1065069013 /nfs/dbraw/zinc/06/90/13/1065069013.db2.gz RVQOFGJMMDMGIS-LLVKDONJSA-N 0 0 456.351 4.854 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1sc(N2CCCC2)nc1Cl ZINC001360182090 1065069354 /nfs/dbraw/zinc/06/93/54/1065069354.db2.gz CRWAJMDJDMQSGO-UHFFFAOYSA-N 0 0 453.395 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932882 1065069598 /nfs/dbraw/zinc/06/95/98/1065069598.db2.gz LYDCLAQBWYFUIS-OALUTQOASA-N 0 0 451.405 4.676 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1CCc1ccc(F)cc1Cl ZINC001360182820 1065069641 /nfs/dbraw/zinc/06/96/41/1065069641.db2.gz FIOISYSOCABZNU-UHFFFAOYSA-N 0 0 464.010 4.928 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)cnc1Br ZINC001435933441 1065070107 /nfs/dbraw/zinc/07/01/07/1065070107.db2.gz FTPZBHYLEBEWPD-MRXNPFEDSA-N 0 0 452.352 4.908 20 0 JJADRN Cc1c(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435933360 1065070234 /nfs/dbraw/zinc/07/02/34/1065070234.db2.gz FMMHKLZOBURPRP-UHFFFAOYSA-N 0 0 456.468 4.900 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001435933848 1065070248 /nfs/dbraw/zinc/07/02/48/1065070248.db2.gz SVCFHZJFDZCFDJ-UHFFFAOYSA-N 0 0 451.695 4.750 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001360183015 1065070240 /nfs/dbraw/zinc/07/02/40/1065070240.db2.gz LNMYLOBSQWSLJX-UHFFFAOYSA-N 0 0 497.665 4.642 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2ccco2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001360183101 1065070309 /nfs/dbraw/zinc/07/03/09/1065070309.db2.gz OLBWTYZUUAXCEX-UHFFFAOYSA-N 0 0 487.482 4.876 20 0 JJADRN Cc1cc2cc(C(=O)Nc3cn4cc(Br)ncc4n3)oc2c(Br)c1 ZINC001435934391 1065070670 /nfs/dbraw/zinc/07/06/70/1065070670.db2.gz 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ZINC001360228651 1065091020 /nfs/dbraw/zinc/09/10/20/1065091020.db2.gz SKADJBYIFCLXDY-IDISGSTGSA-N 0 0 450.623 4.776 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[C@H]1c1cccc(C)c1 ZINC001435979975 1065091146 /nfs/dbraw/zinc/09/11/46/1065091146.db2.gz ZPMOQOURKQNGBM-GHTZIAJQSA-N 0 0 454.983 4.639 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC001435980577 1065091277 /nfs/dbraw/zinc/09/12/77/1065091277.db2.gz PUVMBYGVTFEKMI-HTAPYJJXSA-N 0 0 451.405 4.633 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1 ZINC001360230268 1065091558 /nfs/dbraw/zinc/09/15/58/1065091558.db2.gz WSRPXGGMHUKLTJ-HXUWFJFHSA-N 0 0 454.636 4.887 20 0 JJADRN CC(C)(C)n1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cn1 ZINC001360229419 1065091636 /nfs/dbraw/zinc/09/16/36/1065091636.db2.gz LESWSGWRBKWRMR-UHFFFAOYSA-N 0 0 456.959 4.863 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)nc1Br ZINC001435983422 1065092086 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ZINC001435986770 1065094222 /nfs/dbraw/zinc/09/42/22/1065094222.db2.gz FWXSPRLXZIUNEY-GHTZIAJQSA-N 0 0 454.548 4.801 20 0 JJADRN CN(C)c1ncn(-c2cccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)c2)n1 ZINC001435986762 1065094363 /nfs/dbraw/zinc/09/43/63/1065094363.db2.gz NQZUZTACRGNDDK-UHFFFAOYSA-N 0 0 456.934 4.586 20 0 JJADRN Cc1oc(C(=O)N[C@@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC001360236980 1065094543 /nfs/dbraw/zinc/09/45/43/1065094543.db2.gz SYFKQIJCUPXCIR-VWQFJMCTSA-N 0 0 458.624 4.978 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)[nH]c(=O)c2c1C ZINC001435987779 1065094596 /nfs/dbraw/zinc/09/45/96/1065094596.db2.gz YTGRNWWTMFWMDW-KBAYOESNSA-N 0 0 457.621 4.672 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC001360236189 1065094731 /nfs/dbraw/zinc/09/47/31/1065094731.db2.gz IYCCHQYCIBKKKL-LAUBAEHRSA-N 0 0 452.576 4.688 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(I)cc2s1 ZINC001435988828 1065095009 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COCC(=O)N1CCc2cc(NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)ccc21 ZINC001435991290 1065096737 /nfs/dbraw/zinc/09/67/37/1065096737.db2.gz WWZWHFCWYHSEEJ-XMMPIXPASA-N 0 0 450.535 4.833 20 0 JJADRN COc1cccc2c1nc(NC(=O)c1cccnc1Oc1ccc(Br)cc1)n2C ZINC001435992481 1065097109 /nfs/dbraw/zinc/09/71/09/1065097109.db2.gz GOYYRPPWJWOABO-UHFFFAOYSA-N 0 0 453.296 4.784 20 0 JJADRN COc1cccc(C2(CNC(=O)c3cnn(-c4cccc(Br)c4)c3)CCCC2)c1 ZINC001360245092 1065097147 /nfs/dbraw/zinc/09/71/47/1065097147.db2.gz GSCCOBXJEONTNF-UHFFFAOYSA-N 0 0 454.368 4.885 20 0 JJADRN COc1cccc(C2(CNC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)CCCC2)c1 ZINC001360245633 1065097197 /nfs/dbraw/zinc/09/71/97/1065097197.db2.gz PHZOWQHYNXCZNW-DEOSSOPVSA-N 0 0 452.595 4.964 20 0 JJADRN COc1cccc2c1nc(NC(=O)CCc1cc(C(F)(F)F)ccc1Br)n2C ZINC001435993300 1065097517 /nfs/dbraw/zinc/09/75/17/1065097517.db2.gz KZAVYLSORRSNIG-UHFFFAOYSA-N 0 0 456.262 4.935 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(Br)c(F)c1 ZINC001360246034 1065097542 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HCHVJOMJLALTHY-DOTOQJQBSA-N 0 0 453.029 4.569 20 0 JJADRN CCc1c(C(=O)Oc2cc(F)c(Cl)cc2Br)nnn1Cc1ccc(F)cc1 ZINC001436021973 1065119548 /nfs/dbraw/zinc/11/95/48/1065119548.db2.gz JYADGTGVZFQQRW-UHFFFAOYSA-N 0 0 456.674 4.802 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnnc(-c3ccccc3)c2)c2ccc(OC)cc2OC)cc1 ZINC001360278416 1065120187 /nfs/dbraw/zinc/12/01/87/1065120187.db2.gz JZDLFZJPJSLDLM-AREMUKBSSA-N 0 0 455.514 4.689 20 0 JJADRN CS[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)C1 ZINC001360278685 1065120193 /nfs/dbraw/zinc/12/01/93/1065120193.db2.gz PDGFMCGWKAZKJG-AZUAARDMSA-N 0 0 456.612 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3nccnc3c2)[C@H](c2cccc(Cl)c2)C1 ZINC001436023284 1065120204 /nfs/dbraw/zinc/12/02/04/1065120204.db2.gz ZCVOUGCIUYTSSO-NRFANRHFSA-N 0 0 452.942 4.717 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc3cc(OC)ccc3c2)c2ccc(OC)cc2OC)cc1 ZINC001360278854 1065120976 /nfs/dbraw/zinc/12/09/76/1065120976.db2.gz RELOTAGNKPQJRX-SANMLTNESA-N 0 0 458.514 4.789 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC001436023371 1065121036 /nfs/dbraw/zinc/12/10/36/1065121036.db2.gz RESVQPLZCYWSTL-KRWDZBQOSA-N 0 0 458.946 4.723 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001436024642 1065121492 /nfs/dbraw/zinc/12/14/92/1065121492.db2.gz CBDVINCXZSEUBU-UHFFFAOYSA-N 0 0 453.764 4.718 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC001436024585 1065121520 /nfs/dbraw/zinc/12/15/20/1065121520.db2.gz CGTXVOGFXOOJTE-UHFFFAOYSA-N 0 0 454.788 4.960 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001436025734 1065122232 /nfs/dbraw/zinc/12/22/32/1065122232.db2.gz JUIYMVGPEPIMRQ-AWEZNQCLSA-N 0 0 453.739 4.643 20 0 JJADRN Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1)O2 ZINC001436028334 1065123438 /nfs/dbraw/zinc/12/34/38/1065123438.db2.gz DRVPEEZHTQSXDL-GGAORHGYSA-N 0 0 454.542 4.648 20 0 JJADRN O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436028201 1065123453 /nfs/dbraw/zinc/12/34/53/1065123453.db2.gz HKGXJKOKFVZNLF-FQEVSTJZSA-N 0 0 455.839 4.599 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(c2ccccn2)CCC1 ZINC001360284160 1065123539 /nfs/dbraw/zinc/12/35/39/1065123539.db2.gz OTYNBPDKDUFKMF-UHFFFAOYSA-N 0 0 499.084 4.702 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360283188 1065123587 /nfs/dbraw/zinc/12/35/87/1065123587.db2.gz UUVKHMGGEKROCW-NFBKMPQASA-N 0 0 494.684 4.541 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)s2)c1 ZINC001360283539 1065123639 /nfs/dbraw/zinc/12/36/39/1065123639.db2.gz RFMBXMMDRNCYGC-UHFFFAOYSA-N 0 0 452.605 4.789 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC001436028650 1065124079 /nfs/dbraw/zinc/12/40/79/1065124079.db2.gz HRWMOBWJPTTYQU-PGRDOPGGSA-N 0 0 456.558 4.976 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)ccc1Cl ZINC001360285116 1065124283 /nfs/dbraw/zinc/12/42/83/1065124283.db2.gz WOHOKNCGWOHROL-HKBQPEDESA-N 0 0 457.979 4.858 20 0 JJADRN Cn1nccc1[C@H]1CCCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)C1 ZINC001436028945 1065124710 /nfs/dbraw/zinc/12/47/10/1065124710.db2.gz SYUPUKMXNGSCNM-HNNXBMFYSA-N 0 0 457.397 4.749 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)NC[C@H]3OCCc4ccccc43)cc21 ZINC001360286182 1065124800 /nfs/dbraw/zinc/12/48/00/1065124800.db2.gz AOVWOWOLSWXFEL-XUZZJYLKSA-N 0 0 450.579 4.675 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1c1cccs1 ZINC001360285563 1065124814 /nfs/dbraw/zinc/12/48/14/1065124814.db2.gz JEVIJNKVORKLMT-KRWDZBQOSA-N 0 0 474.428 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cc(F)c(F)cc2F)[C@@H](c2cccc(F)c2)C1 ZINC001436029560 1065125396 /nfs/dbraw/zinc/12/53/96/1065125396.db2.gz OXYXCKFBOYMTAZ-HXUWFJFHSA-N 0 0 452.448 4.606 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC001436029441 1065125443 /nfs/dbraw/zinc/12/54/43/1065125443.db2.gz OAKVFHYUZCKNNW-JOCHJYFZSA-N 0 0 454.567 4.700 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)NCc3cc(S(C)(=O)=O)ccc3F)c2c1 ZINC001436029294 1065125503 /nfs/dbraw/zinc/12/55/03/1065125503.db2.gz ZGDYMNQOFMJPRZ-UHFFFAOYSA-N 0 0 454.548 4.744 20 0 JJADRN Cc1ccn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3Cl)nc2c1 ZINC001436029849 1065126080 /nfs/dbraw/zinc/12/60/80/1065126080.db2.gz QBNKVAGRIPRRPG-FQEVSTJZSA-N 0 0 454.958 4.730 20 0 JJADRN Cc1cccc2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3Cl)cn21 ZINC001436030497 1065126626 /nfs/dbraw/zinc/12/66/26/1065126626.db2.gz WJRDYQGOPREEKK-HXUWFJFHSA-N 0 0 454.958 4.730 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1 ZINC001436030399 1065126642 /nfs/dbraw/zinc/12/66/42/1065126642.db2.gz USLMTIYDIYDYNS-CVDCTZTESA-N 0 0 456.558 4.860 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccccc2Cl)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001360288935 1065126731 /nfs/dbraw/zinc/12/67/31/1065126731.db2.gz LOSKXQGBTVYIHG-UHFFFAOYSA-N 0 0 453.930 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@H](c2ccccc2Cl)C1 ZINC001436031009 1065127321 /nfs/dbraw/zinc/12/73/21/1065127321.db2.gz ZYOGYTRATMCRPB-NRFANRHFSA-N 0 0 456.970 4.638 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)ccn1 ZINC001436030997 1065127332 /nfs/dbraw/zinc/12/73/32/1065127332.db2.gz ZWPGNICJEQNKJI-UWJYYQICSA-N 0 0 457.546 4.832 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)Cc2cc(Br)cc(I)c2)[C@@H](C)C1 ZINC001360291664 1065127392 /nfs/dbraw/zinc/12/73/92/1065127392.db2.gz PNVDDOFLOHSMNE-ZETOZRRWSA-N 0 0 450.158 4.537 20 0 JJADRN CC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1csc(Br)c1 ZINC001360294833 1065128860 /nfs/dbraw/zinc/12/88/60/1065128860.db2.gz OROJIOCNLGWNGU-UHFFFAOYSA-N 0 0 496.862 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)CCc3cc(Br)cs3)C2)C1 ZINC001436032880 1065129306 /nfs/dbraw/zinc/12/93/06/1065129306.db2.gz IXTHZPFQSCYHRU-HXUWFJFHSA-N 0 0 457.434 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3ccc(Cl)cc3Br)C2)C1 ZINC001436032272 1065129318 /nfs/dbraw/zinc/12/93/18/1065129318.db2.gz DVDPLLOJLMORTR-HXUWFJFHSA-N 0 0 457.796 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H](c2ccncc2)C1 ZINC001436032836 1065129331 /nfs/dbraw/zinc/12/93/31/1065129331.db2.gz IKZPNXUPMLTCHI-GOSISDBHSA-N 0 0 453.436 4.674 20 0 JJADRN COc1ccc(CCCCC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1OC ZINC001436032542 1065129360 /nfs/dbraw/zinc/12/93/60/1065129360.db2.gz HSIAJAFJTCXTRQ-KRWDZBQOSA-N 0 0 452.320 4.568 20 0 JJADRN CSc1ccc(CCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)cc1 ZINC001436032910 1065130024 /nfs/dbraw/zinc/13/00/24/1065130024.db2.gz JPYFAAYPLWCPLO-JOCHJYFZSA-N 0 0 455.624 4.947 20 0 JJADRN Cn1c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc2cc(C(F)(F)F)ccc21 ZINC001436033782 1065130611 /nfs/dbraw/zinc/13/06/11/1065130611.db2.gz ORYMXZJNSHCOKW-AWEZNQCLSA-N 0 0 457.221 4.962 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccnc(Cl)c3s2)[C@@H](c2ccncc2)C1 ZINC001436035368 1065132051 /nfs/dbraw/zinc/13/20/51/1065132051.db2.gz UGTNPDYCSJQNFA-MRXNPFEDSA-N 0 0 458.971 4.779 20 0 JJADRN O=C(c1cnnn1-c1ccccc1Br)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001360299063 1065132223 /nfs/dbraw/zinc/13/22/23/1065132223.db2.gz AXSBTKJAYBIQOC-UHFFFAOYSA-N 0 0 459.775 4.778 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)cs1 ZINC001360299843 1065132258 /nfs/dbraw/zinc/13/22/58/1065132258.db2.gz VXBMJYXGXSXEBS-UHFFFAOYSA-N 0 0 457.983 4.974 20 0 JJADRN CCN(c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)cc1)C(C)C ZINC001436036179 1065132782 /nfs/dbraw/zinc/13/27/82/1065132782.db2.gz WZPCECBSAZZVQM-QHCPKHFHSA-N 0 0 452.599 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2cccc(Cl)c2)[C@@H](c2ccncc2)C1 ZINC001436036318 1065132821 /nfs/dbraw/zinc/13/28/21/1065132821.db2.gz XXWHHNFTHPGNNA-GOSISDBHSA-N 0 0 451.901 4.647 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3oc4ccccc4c3CS(C)(=O)=O)c2)cn1 ZINC001436037748 1065132942 /nfs/dbraw/zinc/13/29/42/1065132942.db2.gz GGIYCPPYWFXVSU-UHFFFAOYSA-N 0 0 450.516 4.609 20 0 JJADRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc2scc(Br)c2c1 ZINC001436036896 1065132956 /nfs/dbraw/zinc/13/29/56/1065132956.db2.gz FQVFMIFNEAJTNB-LJQANCHMSA-N 0 0 453.361 4.997 20 0 JJADRN COc1ccc(-c2nccnc2NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC001436038143 1065133466 /nfs/dbraw/zinc/13/34/66/1065133466.db2.gz PUECWYVIDDJOSR-UHFFFAOYSA-N 0 0 451.280 4.822 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)c2)cn1 ZINC001436037798 1065133510 /nfs/dbraw/zinc/13/35/10/1065133510.db2.gz HIWOUENWSXOTDO-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC001360300438 1065133465 /nfs/dbraw/zinc/13/34/65/1065133465.db2.gz PGWGFMMYWAHYAS-MGBGTMOVSA-N 0 0 456.567 4.906 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001360300371 1065133508 /nfs/dbraw/zinc/13/35/08/1065133508.db2.gz MWKBUOYUEMUWLN-DRKIFQHWSA-N 0 0 452.963 4.639 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001360300373 1065133546 /nfs/dbraw/zinc/13/35/46/1065133546.db2.gz MWKBUOYUEMUWLN-OKXSDPAFSA-N 0 0 452.963 4.639 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001360300374 1065133577 /nfs/dbraw/zinc/13/35/77/1065133577.db2.gz MWKBUOYUEMUWLN-WTPASJBYSA-N 0 0 452.963 4.639 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)Cc3cccc(I)c3)c2)cn1 ZINC001436039364 1065134300 /nfs/dbraw/zinc/13/43/00/1065134300.db2.gz VMQCUDGTSCZXQY-UHFFFAOYSA-N 0 0 458.299 4.851 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001360302038 1065134257 /nfs/dbraw/zinc/13/42/57/1065134257.db2.gz PUZYFDROEMBNPM-NRFANRHFSA-N 0 0 479.629 4.635 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 ZINC001360302083 1065134344 /nfs/dbraw/zinc/13/43/44/1065134344.db2.gz ROZOFOWVSALEEG-QFIPXVFZSA-N 0 0 493.656 4.646 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ncc(C(F)(F)F)cc1Br ZINC001436040254 1065134968 /nfs/dbraw/zinc/13/49/68/1065134968.db2.gz PBJIFNHYMWRJIU-UHFFFAOYSA-N 0 0 453.262 4.847 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 ZINC001436039947 1065134975 /nfs/dbraw/zinc/13/49/75/1065134975.db2.gz CWQOIUWNPWFMLU-UHFFFAOYSA-N 0 0 450.398 4.651 20 0 JJADRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC001436039997 1065134986 /nfs/dbraw/zinc/13/49/86/1065134986.db2.gz FEAMWTNSDKUSPM-LJQANCHMSA-N 0 0 450.258 4.868 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc(N3CCOCC3)c(C)c2)cc1 ZINC001360302416 1065135695 /nfs/dbraw/zinc/13/56/95/1065135695.db2.gz CSPFVFGTLYHIFX-AOYPEHQESA-N 0 0 452.595 4.740 20 0 JJADRN Cc1nc(C(=O)N2CCC(OCCc3ccccc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001360302514 1065135798 /nfs/dbraw/zinc/13/57/98/1065135798.db2.gz GVDGNJSIFLYTLO-UHFFFAOYSA-N 0 0 459.377 4.746 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001360303841 1065136474 /nfs/dbraw/zinc/13/64/74/1065136474.db2.gz ADQGQXKVEQWDMC-QFBILLFUSA-N 0 0 496.578 4.601 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)o1 ZINC001436043465 1065138535 /nfs/dbraw/zinc/13/85/35/1065138535.db2.gz LQPRYQLYNFSJHZ-LJQANCHMSA-N 0 0 458.502 4.600 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 ZINC001360304774 1065138662 /nfs/dbraw/zinc/13/86/62/1065138662.db2.gz PNMNJAPAOYMQCH-QGZVFWFLSA-N 0 0 467.643 4.505 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Cl)c1 ZINC001436044707 1065139256 /nfs/dbraw/zinc/13/92/56/1065139256.db2.gz UYUQQUCJZZBPCL-KRWDZBQOSA-N 0 0 453.967 4.674 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001360305160 1065139291 /nfs/dbraw/zinc/13/92/91/1065139291.db2.gz XFBSMWZFFXQZSC-NRFANRHFSA-N 0 0 454.619 4.724 20 0 JJADRN COc1ccccc1C1(C(=O)NCc2ccc(I)c(Cl)c2)CCC1 ZINC001436045682 1065140625 /nfs/dbraw/zinc/14/06/25/1065140625.db2.gz LYGGKVFENRQNAD-UHFFFAOYSA-N 0 0 455.723 4.691 20 0 JJADRN COc1cc(F)c(C(=O)NCc2ccc(I)c(Cl)c2)c(Cl)c1 ZINC001436045532 1065140788 /nfs/dbraw/zinc/14/07/88/1065140788.db2.gz JUFJTTAHZKRCJZ-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001360305911 1065141221 /nfs/dbraw/zinc/14/12/21/1065141221.db2.gz KBJIJGGOWFEPDT-RUZDIDTESA-N 0 0 452.501 4.580 20 0 JJADRN Cc1nc(COc2ccc(C(=O)N3CCC(c4ccc(Br)cc4)CC3)cc2)no1 ZINC001436046605 1065141255 /nfs/dbraw/zinc/14/12/55/1065141255.db2.gz ZTKIIOBKNYEKHO-UHFFFAOYSA-N 0 0 456.340 4.739 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(I)c(Cl)c2)c1C1CC1 ZINC001436046354 1065141323 /nfs/dbraw/zinc/14/13/23/1065141323.db2.gz VONMQWFGHRRXTL-LLVKDONJSA-N 0 0 457.743 4.920 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1Oc1cccnc1 ZINC001436047475 1065141967 /nfs/dbraw/zinc/14/19/67/1065141967.db2.gz FLFGFPSFUQXWHO-UHFFFAOYSA-N 0 0 458.345 4.959 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cc(Cl)cc(Cl)c1F ZINC001436047564 1065142036 /nfs/dbraw/zinc/14/20/36/1065142036.db2.gz FBHJNVQVBHRGOF-UHFFFAOYSA-N 0 0 458.118 4.748 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1ccccc1COC(C)(C)C ZINC001436048459 1065142455 /nfs/dbraw/zinc/14/24/55/1065142455.db2.gz NYTWZVRZWAZVGU-UHFFFAOYSA-N 0 0 457.372 4.617 20 0 JJADRN CC1CCC(C)(C(=O)NC[C@H]2CCCN2Cc2ccc(I)cc2)CC1 ZINC001436048176 1065142551 /nfs/dbraw/zinc/14/25/51/1065142551.db2.gz OTKRTCPFYDERLM-IPFXWSOASA-N 0 0 454.396 4.588 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 ZINC001360308724 1065144523 /nfs/dbraw/zinc/14/45/23/1065144523.db2.gz QKANCOXZDXBKSB-UHFFFAOYSA-N 0 0 451.548 4.561 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1csc(Br)c1 ZINC001436050285 1065144646 /nfs/dbraw/zinc/14/46/46/1065144646.db2.gz WDZWBIXRNYDFSO-UHFFFAOYSA-N 0 0 450.185 4.596 20 0 JJADRN COc1ccccc1/C(C)=C\C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308647 1065144588 /nfs/dbraw/zinc/14/45/88/1065144588.db2.gz PGJRONPIZDKQDB-VBKFSLOCSA-N 0 0 457.498 4.989 20 0 JJADRN COc1ccccc1C[C@@H](C)CC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001436050525 1065144676 /nfs/dbraw/zinc/14/46/76/1065144676.db2.gz YEOUXCVDPOHXMK-MRXNPFEDSA-N 0 0 451.394 4.736 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC001360310538 1065147744 /nfs/dbraw/zinc/14/77/44/1065147744.db2.gz IDZVZKGGFJDPEJ-IBGZPJMESA-N 0 0 457.502 4.891 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001360311122 1065147771 /nfs/dbraw/zinc/14/77/71/1065147771.db2.gz OYWCIHWIJGJXFV-GIVPXCGWSA-N 0 0 459.587 4.782 20 0 JJADRN CC(C)c1nc(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)nn1-c1cccc(F)c1 ZINC001436054910 1065147984 /nfs/dbraw/zinc/14/79/84/1065147984.db2.gz DOXAPQIIQKNEGL-CYBMUJFWSA-N 0 0 459.319 4.720 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1I ZINC001436054499 1065148007 /nfs/dbraw/zinc/14/80/07/1065148007.db2.gz SQPJKMSYDPYOKN-FUHWJXTLSA-N 0 0 459.331 4.682 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)nc2)cc1 ZINC001436056585 1065149180 /nfs/dbraw/zinc/14/91/80/1065149180.db2.gz RIYACPNVEJXHMU-SFHVURJKSA-N 0 0 452.352 4.954 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)nc2)cc1 ZINC001436056582 1065149428 /nfs/dbraw/zinc/14/94/28/1065149428.db2.gz RIYACPNVEJXHMU-GOSISDBHSA-N 0 0 452.352 4.954 20 0 JJADRN CC[C@@H]1C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001436057572 1065149927 /nfs/dbraw/zinc/14/99/27/1065149927.db2.gz VMQICJJUFLFBGT-CRAIPNDOSA-N 0 0 451.405 4.633 20 0 JJADRN CC[C@H]1[C@H](C(=O)NCCCc2ccc(Br)cc2F)CCN1C(=O)OC(C)(C)C ZINC001360317016 1065150419 /nfs/dbraw/zinc/15/04/19/1065150419.db2.gz DGACEROILXNFAU-AEFFLSMTSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)n1 ZINC001360317104 1065150482 /nfs/dbraw/zinc/15/04/82/1065150482.db2.gz HPXUYALYDHJAHT-UHFFFAOYSA-N 0 0 459.413 4.944 20 0 JJADRN C[C@H](CC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360317221 1065150513 /nfs/dbraw/zinc/15/05/13/1065150513.db2.gz LYRBADSIRIDJOU-PXAZEXFGSA-N 0 0 452.853 4.748 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)CO1 ZINC001360317007 1065150539 /nfs/dbraw/zinc/15/05/39/1065150539.db2.gz CZXUFDYHHKQGFG-USXIJHARSA-N 0 0 450.881 4.884 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC001436058638 1065150536 /nfs/dbraw/zinc/15/05/36/1065150536.db2.gz XCLDDKNCBFXABI-FQEVSTJZSA-N 0 0 457.368 4.580 20 0 JJADRN O=C(NCc1cc(Br)ccc1OC(F)F)c1cnn(-c2ccccc2Cl)c1 ZINC001360317859 1065151074 /nfs/dbraw/zinc/15/10/74/1065151074.db2.gz ATXFBWAFCZWIFA-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC001436059848 1065151259 /nfs/dbraw/zinc/15/12/59/1065151259.db2.gz GEFQMYVMXHTYSM-RBSFLKMASA-N 0 0 450.352 4.729 20 0 JJADRN CCN(C(=O)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317587 1065151286 /nfs/dbraw/zinc/15/12/86/1065151286.db2.gz YIKHYJNRGIFNAO-INIZCTEOSA-N 0 0 457.514 4.878 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1cc(Br)ccc1OC(F)F)C(C)(C)C ZINC001360318303 1065151924 /nfs/dbraw/zinc/15/19/24/1065151924.db2.gz KNZHFOPTYFNLHY-CQSZACIVSA-N 0 0 450.320 4.671 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001360317925 1065151941 /nfs/dbraw/zinc/15/19/41/1065151941.db2.gz DJIBPFFYSVYKFV-SBUREZEXSA-N 0 0 458.961 4.634 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001360317923 1065152004 /nfs/dbraw/zinc/15/20/04/1065152004.db2.gz DJIBPFFYSVYKFV-GAJHUEQPSA-N 0 0 458.961 4.634 20 0 JJADRN O=C(c1cscc1C(F)(F)F)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001436061506 1065152679 /nfs/dbraw/zinc/15/26/79/1065152679.db2.gz FHPNDJJQEPRYKU-UHFFFAOYSA-N 0 0 451.283 4.627 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 ZINC001436061440 1065152721 /nfs/dbraw/zinc/15/27/21/1065152721.db2.gz AYZVDGJDFHXYGE-UHFFFAOYSA-N 0 0 456.546 4.800 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC001360318764 1065152797 /nfs/dbraw/zinc/15/27/97/1065152797.db2.gz ZXCYMOCNIRTWNK-UHFFFAOYSA-N 0 0 450.564 4.792 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1)C1CCCCC1 ZINC001360318625 1065152807 /nfs/dbraw/zinc/15/28/07/1065152807.db2.gz XXXYTFWEYZHLHD-FQEVSTJZSA-N 0 0 452.526 4.802 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001436062184 1065153536 /nfs/dbraw/zinc/15/35/36/1065153536.db2.gz HZUSBZKRWDUYTG-NSHDSACASA-N 0 0 454.342 4.885 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H]2CCSC2(C)C)CCOC1 ZINC001360319662 1065154011 /nfs/dbraw/zinc/15/40/11/1065154011.db2.gz LMAYUDPFUXDFGT-KNOQFWTLSA-N 0 0 474.671 4.753 20 0 JJADRN C[C@@H](OC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1)c1ncccc1F ZINC001436063663 1065154841 /nfs/dbraw/zinc/15/48/41/1065154841.db2.gz ZRASMTJDTPUPHS-QGZVFWFLSA-N 0 0 454.933 4.509 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(Cl)nc2)CCOC1 ZINC001360320095 1065155713 /nfs/dbraw/zinc/15/57/13/1065155713.db2.gz RTAGJBDVJZXWCP-VOIUYBSRSA-N 0 0 491.970 4.891 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@H]2CC[C@H](F)C2)CCOC1 ZINC001360320068 1065155746 /nfs/dbraw/zinc/15/57/46/1065155746.db2.gz RHERYJHPCSLFRJ-DIVYTMEGSA-N 0 0 474.621 4.620 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2CC(F)(F)Br)CCOC1 ZINC001360320059 1065155755 /nfs/dbraw/zinc/15/57/55/1065155755.db2.gz RDNDMWOPEDDNMH-KXBFYZLASA-N 0 0 473.362 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360320255 1065156242 /nfs/dbraw/zinc/15/62/42/1065156242.db2.gz VFARZPFTFGIULK-NTUVXCKYSA-N 0 0 462.660 4.519 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCC2CCOCC2)CCOC1 ZINC001360320165 1065156255 /nfs/dbraw/zinc/15/62/55/1065156255.db2.gz SXQLRRBERKYTDU-CJAUYULYSA-N 0 0 478.584 4.611 20 0 JJADRN O=C(c1cc2c(cncc2Br)s1)N(CCc1ccccn1)Cc1ccncc1 ZINC001436066245 1065156259 /nfs/dbraw/zinc/15/62/59/1065156259.db2.gz CJJSVAAYCIMPCB-UHFFFAOYSA-N 0 0 453.365 4.734 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001436066662 1065156382 /nfs/dbraw/zinc/15/63/82/1065156382.db2.gz XWDJACXOKBXXKK-HXUWFJFHSA-N 0 0 456.999 4.994 20 0 JJADRN CCC(CC)(C(=O)N(C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC001436067973 1065157257 /nfs/dbraw/zinc/15/72/57/1065157257.db2.gz FXVLQBOMGUJXKP-UHFFFAOYSA-N 0 0 457.423 4.965 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@H]2CCO[C@H](C)C2)CCOC1 ZINC001360320863 1065157794 /nfs/dbraw/zinc/15/77/94/1065157794.db2.gz GXMKHHGVCKTSNH-FUMQJTLXSA-N 0 0 496.574 4.578 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360321016 1065157867 /nfs/dbraw/zinc/15/78/67/1065157867.db2.gz ISPWSMPTSIVEJO-DFBJGRDBSA-N 0 0 460.594 4.694 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2CCSCc2ccccc2F)CCOC1 ZINC001360320773 1065157956 /nfs/dbraw/zinc/15/79/56/1065157956.db2.gz FKRCMEYYFQPQAV-XMMPIXPASA-N 0 0 464.651 4.874 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)c(F)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC001436068900 1065158058 /nfs/dbraw/zinc/15/80/58/1065158058.db2.gz VLBVLZLGJHFOTF-UHFFFAOYSA-N 0 0 454.951 4.613 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360321019 1065158744 /nfs/dbraw/zinc/15/87/44/1065158744.db2.gz ISPWSMPTSIVEJO-UQBPGWFLSA-N 0 0 460.594 4.694 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)c1ncoc1-c1ccc(F)cc1 ZINC001436070044 1065158914 /nfs/dbraw/zinc/15/89/14/1065158914.db2.gz MLKPMTPPFABLRK-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCOC2CCCCCC2)CCOC1 ZINC001360322155 1065159217 /nfs/dbraw/zinc/15/92/17/1065159217.db2.gz RNBJUZYULJKPLH-SANMLTNESA-N 0 0 492.611 4.973 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC001436070626 1065159614 /nfs/dbraw/zinc/15/96/14/1065159614.db2.gz BUCKEOHSRBLKBI-NRFANRHFSA-N 0 0 455.938 4.820 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CSc2ccc3c4c(cccc42)CC3)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436071034 1065159686 /nfs/dbraw/zinc/15/96/86/1065159686.db2.gz WHEVBKGPSSKLRV-NSYGIPOTSA-N 0 0 453.629 4.630 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1OC ZINC001360322890 1065159928 /nfs/dbraw/zinc/15/99/28/1065159928.db2.gz LZMVAGFVHKKIKE-UHFFFAOYSA-N 0 0 455.595 4.929 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cnn(Cc3ccccc3)c2Cl)cc1OC ZINC001360323130 1065160040 /nfs/dbraw/zinc/16/00/40/1065160040.db2.gz UTRMNXTUBATSFY-UHFFFAOYSA-N 0 0 455.986 4.943 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001436071534 1065160265 /nfs/dbraw/zinc/16/02/65/1065160265.db2.gz HVIBZWJPDLQGJS-HSZRJFAPSA-N 0 0 452.938 4.623 20 0 JJADRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001436071314 1065160308 /nfs/dbraw/zinc/16/03/08/1065160308.db2.gz GUXTWLWPSJRALA-LJQANCHMSA-N 0 0 456.530 4.636 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360323331 1065160670 /nfs/dbraw/zinc/16/06/70/1065160670.db2.gz AROMYNCHLBVUSS-WGGBDISSSA-N 0 0 450.986 4.965 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCC2CC2)CCOC1 ZINC001360323458 1065160793 /nfs/dbraw/zinc/16/07/93/1065160793.db2.gz DFBVQKDADGBCIA-QFIPXVFZSA-N 0 0 452.521 4.774 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC001436072311 1065161027 /nfs/dbraw/zinc/16/10/27/1065161027.db2.gz RHFVPAWUZKJNKZ-LJQANCHMSA-N 0 0 456.530 4.804 20 0 JJADRN O=C(Nc1cc(F)c(Br)cc1Cl)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001436072576 1065161869 /nfs/dbraw/zinc/16/18/69/1065161869.db2.gz CTLKEIOHBQABRZ-LBPRGKRZSA-N 0 0 457.702 4.872 20 0 JJADRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001436073268 1065162343 /nfs/dbraw/zinc/16/23/43/1065162343.db2.gz WIGJPXYSOORQEX-FQEVSTJZSA-N 0 0 454.439 4.935 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)C(C)C)CCOC1 ZINC001360324243 1065162529 /nfs/dbraw/zinc/16/25/29/1065162529.db2.gz MXUBXNNVOVXNBI-DEOSSOPVSA-N 0 0 450.574 4.916 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CCCS2)CCOC1 ZINC001360324313 1065162581 /nfs/dbraw/zinc/16/25/81/1065162581.db2.gz NNHHSRUUZGZHHU-DENIHFKCSA-N 0 0 495.487 4.613 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)c2)cc1 ZINC001360324168 1065162765 /nfs/dbraw/zinc/16/27/65/1065162765.db2.gz OMIBCTXFCXPKNP-UHFFFAOYSA-N 0 0 452.576 4.855 20 0 JJADRN O=C(NCCCNC(=O)c1ccc(F)cc1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001360324285 1065162778 /nfs/dbraw/zinc/16/27/78/1065162778.db2.gz RSSDMFVUWDEHJH-UHFFFAOYSA-N 0 0 452.338 4.806 20 0 JJADRN Cc1nc(NC(=O)c2cn(CCc3ccccc3)nn2)sc1Cc1ccc(F)c(F)c1F ZINC001436074246 1065163113 /nfs/dbraw/zinc/16/31/13/1065163113.db2.gz CKKTWTYLPDKIMA-UHFFFAOYSA-N 0 0 457.481 4.546 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H]2OCCC2(C)C)CCOC1 ZINC001360324346 1065163726 /nfs/dbraw/zinc/16/37/26/1065163726.db2.gz OBMFWZWYPBEDDV-HYBUGGRVSA-N 0 0 496.574 4.789 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001436075228 1065163822 /nfs/dbraw/zinc/16/38/22/1065163822.db2.gz HLQCYHYILMNSMM-OAQYLSRUSA-N 0 0 451.369 4.744 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)cc1OC ZINC001360324711 1065164880 /nfs/dbraw/zinc/16/48/80/1065164880.db2.gz ZKAJBFOBPPMQCJ-IBGZPJMESA-N 0 0 455.595 4.918 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360324784 1065164926 /nfs/dbraw/zinc/16/49/26/1065164926.db2.gz RXGJVGGCKRYFSF-NHCUHLMSSA-N 0 0 471.092 4.956 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CCSC2)CCOC1 ZINC001360324798 1065164939 /nfs/dbraw/zinc/16/49/39/1065164939.db2.gz SAEIKCRPTVYLLL-GCJKJVERSA-N 0 0 484.588 4.727 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC2(O)CCCCCC2)CCOC1 ZINC001360324825 1065165639 /nfs/dbraw/zinc/16/56/39/1065165639.db2.gz SIZQLQUEWGNWGG-RUZDIDTESA-N 0 0 495.039 4.833 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Br)cc3)n2CC2(C)CC2)CCOC1 ZINC001360324878 1065165720 /nfs/dbraw/zinc/16/57/20/1065165720.db2.gz UHRUQPSXSRJQBR-QFIPXVFZSA-N 0 0 463.420 4.518 20 0 JJADRN Cc1cc(-n2cc(COC(=O)c3ccc(Sc4ccccc4Cl)nn3)nn2)ccc1F ZINC001436077956 1065165899 /nfs/dbraw/zinc/16/58/99/1065165899.db2.gz JEBBDIZXWJUSJK-UHFFFAOYSA-N 0 0 455.902 4.666 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@@H](C)O[C@]4(CCCOC4)C3)CCCCC2)c(Br)c1 ZINC001436078321 1065165927 /nfs/dbraw/zinc/16/59/27/1065165927.db2.gz OZSXBVSLVILKMV-XMSQKQJNSA-N 0 0 450.417 4.756 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2CCOc2cccc(F)c2)CCOC1 ZINC001360325137 1065166265 /nfs/dbraw/zinc/16/62/65/1065166265.db2.gz YXCXPWGQJAWHSA-HSZRJFAPSA-N 0 0 495.020 4.888 20 0 JJADRN C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)ccc2N1C ZINC001436079969 1065166405 /nfs/dbraw/zinc/16/64/05/1065166405.db2.gz VKNFLCYSCNILOS-NSHDSACASA-N 0 0 458.305 4.605 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001436079446 1065166463 /nfs/dbraw/zinc/16/64/63/1065166463.db2.gz RMWUVHQNJVBYSI-NRFANRHFSA-N 0 0 453.963 4.655 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccoc3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001360325297 1065166910 /nfs/dbraw/zinc/16/69/10/1065166910.db2.gz BINXBAVQFBIGQI-HSZRJFAPSA-N 0 0 462.953 4.583 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1Br ZINC001436079947 1065167076 /nfs/dbraw/zinc/16/70/76/1065167076.db2.gz PWUQCJMPXKVVEF-KRWDZBQOSA-N 0 0 458.324 4.731 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC3)n2C[C@H](F)c2ccc(Br)cc2)CCOC1 ZINC001360325690 1065167470 /nfs/dbraw/zinc/16/74/70/1065167470.db2.gz KGAWCHQHCDYORY-UGKGYDQZSA-N 0 0 481.410 4.638 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)Nc1ccn(C2CCCCC2)n1 ZINC001436081319 1065167609 /nfs/dbraw/zinc/16/76/09/1065167609.db2.gz PBQYASYINDGVNX-UHFFFAOYSA-N 0 0 453.324 4.791 20 0 JJADRN O=C(N[C@@H](CCC(=O)N1CC[C@@H](c2cccc(F)c2)C1)C(F)(F)F)OCc1ccccc1 ZINC001436081693 1065167636 /nfs/dbraw/zinc/16/76/36/1065167636.db2.gz OQGKXKITACXYAZ-QUCCMNQESA-N 0 0 452.448 4.779 20 0 JJADRN O=C(OCc1csc(C(F)(F)F)n1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001436081342 1065167651 /nfs/dbraw/zinc/16/76/51/1065167651.db2.gz ABFJNXQSJVKZCS-UHFFFAOYSA-N 0 0 456.755 4.772 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC2=CCCCC2)CCOC1 ZINC001360325795 1065168066 /nfs/dbraw/zinc/16/80/66/1065168066.db2.gz MHYSZCJIAJCOML-NRFANRHFSA-N 0 0 485.576 4.931 20 0 JJADRN Cc1cccc(C2(C(=O)N[C@H]3CCN(c4cccc(Br)c4)C3=O)CCCCC2)c1 ZINC001436081731 1065168250 /nfs/dbraw/zinc/16/82/50/1065168250.db2.gz DHRAQLAVEBUPMN-NRFANRHFSA-N 0 0 455.396 4.881 20 0 JJADRN O=C(COc1ccccc1C(=O)OCc1csc(C(F)(F)F)n1)Nc1ccccc1F ZINC001436082217 1065168344 /nfs/dbraw/zinc/16/83/44/1065168344.db2.gz HYTZKQKEWXAGED-UHFFFAOYSA-N 0 0 454.401 4.676 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)nc1I ZINC001436082284 1065168358 /nfs/dbraw/zinc/16/83/58/1065168358.db2.gz XNAQVWCWOQMYBN-HNNXBMFYSA-N 0 0 456.711 4.716 20 0 JJADRN Cc1cccc(C2(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3=O)CCCCC2)c1 ZINC001436081733 1065168395 /nfs/dbraw/zinc/16/83/95/1065168395.db2.gz DHRAQLAVEBUPMN-OAQYLSRUSA-N 0 0 455.396 4.881 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)C3)n2CC(C)(C)c2cccc(F)c2)CCOC1 ZINC001360326388 1065168697 /nfs/dbraw/zinc/16/86/97/1065168697.db2.gz YGEKXGPUQJLLTE-JUWHTYBZSA-N 0 0 462.585 4.620 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC001436083003 1065168949 /nfs/dbraw/zinc/16/89/49/1065168949.db2.gz XHBOFORZCNBVBA-ZDUSSCGKSA-N 0 0 455.267 4.978 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCc1ccccc1Cl ZINC001360326650 1065169332 /nfs/dbraw/zinc/16/93/32/1065169332.db2.gz FTWWBSSWAVDNQI-UHFFFAOYSA-N 0 0 451.792 4.590 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001436083935 1065169510 /nfs/dbraw/zinc/16/95/10/1065169510.db2.gz ZBMABHGHZCVHLJ-HXUWFJFHSA-N 0 0 459.384 4.537 20 0 JJADRN COc1ccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC001436084273 1065169592 /nfs/dbraw/zinc/16/95/92/1065169592.db2.gz VJHGIVKBIPARSP-HXUWFJFHSA-N 0 0 456.608 4.706 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(F)cc4C)C3)cc2)c1 ZINC001360326993 1065169873 /nfs/dbraw/zinc/16/98/73/1065169873.db2.gz DHPYURLOOJZTMX-RUZDIDTESA-N 0 0 459.565 4.771 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC3CCOCC3)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001360328324 1065170681 /nfs/dbraw/zinc/17/06/81/1065170681.db2.gz DFBRJHABVZNKIB-FNZWTVRRSA-N 0 0 474.621 4.514 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360328321 1065170716 /nfs/dbraw/zinc/17/07/16/1065170716.db2.gz DDPFBNVBWFLSOE-ZRCGQRJVSA-N 0 0 470.605 4.540 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)C1 ZINC001436085725 1065170858 /nfs/dbraw/zinc/17/08/58/1065170858.db2.gz AHTLVKPCQJDBFF-PHYRLJMMSA-N 0 0 450.579 4.516 20 0 JJADRN CCCN(C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC001436086413 1065170880 /nfs/dbraw/zinc/17/08/80/1065170880.db2.gz GQABYLLRTNNGGC-HXUWFJFHSA-N 0 0 450.558 4.745 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCc3cccs3)n2CCc2ccc(F)c(F)c2F)CCOC1 ZINC001360328655 1065171150 /nfs/dbraw/zinc/17/11/50/1065171150.db2.gz JYBVKUOPYZSMFM-XMMPIXPASA-N 0 0 494.583 4.719 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2Cc2ccsc2Br)CCOC1 ZINC001360328353 1065171240 /nfs/dbraw/zinc/17/12/40/1065171240.db2.gz DODBZBKOWBMCFH-QGZVFWFLSA-N 0 0 497.381 4.580 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2Cc2ccc(C(C)(C)O)cc2)CCOC1 ZINC001360328804 1065171281 /nfs/dbraw/zinc/17/12/81/1065171281.db2.gz MKDGYIHQYPVUDZ-HHHXNRCGSA-N 0 0 470.658 4.611 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(-n3cccn3)c2)c(Br)c1 ZINC001436087600 1065171506 /nfs/dbraw/zinc/17/15/06/1065171506.db2.gz KPOARXFGTAYZCG-OAQYLSRUSA-N 0 0 454.368 4.765 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3nccs3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360329514 1065171828 /nfs/dbraw/zinc/17/18/28/1065171828.db2.gz ZIDNOCPKFKLEAU-AVRDEDQJSA-N 0 0 483.629 4.670 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436088352 1065172128 /nfs/dbraw/zinc/17/21/28/1065172128.db2.gz VPRIBDFXUHYHGG-VQTJNVASSA-N 0 0 454.368 4.956 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCCc3ccccn3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360329549 1065172305 /nfs/dbraw/zinc/17/23/05/1065172305.db2.gz ZTKBBSVELPAGRY-VWLOTQADSA-N 0 0 488.007 4.624 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCCc3ccccn3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360329548 1065172348 /nfs/dbraw/zinc/17/23/48/1065172348.db2.gz ZTKBBSVELPAGRY-RUZDIDTESA-N 0 0 488.007 4.624 20 0 JJADRN COc1cccc(C2(NC(=O)c3cc(C)c(Br)c(Cl)c3)CCOCC2)c1F ZINC001436088971 1065172944 /nfs/dbraw/zinc/17/29/44/1065172944.db2.gz RJRGELMNJIMHCF-UHFFFAOYSA-N 0 0 456.739 4.994 20 0 JJADRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001436090348 1065173347 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IXUAIVWPIYEUBH-HSZRJFAPSA-N 0 0 476.046 4.892 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC001360330714 1065174445 /nfs/dbraw/zinc/17/44/45/1065174445.db2.gz OEYQNWQHAZDMGZ-UHFFFAOYSA-N 0 0 459.587 4.708 20 0 JJADRN COc1ccc(-c2cc(NC(=O)Cc3ccn(CC(F)(F)F)n3)ccc2OC(F)F)cc1 ZINC001436092203 1065174717 /nfs/dbraw/zinc/17/47/17/1065174717.db2.gz GJBOEPLPQJUEHT-UHFFFAOYSA-N 0 0 455.383 4.904 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001360330960 1065174897 /nfs/dbraw/zinc/17/48/97/1065174897.db2.gz TUJPHCGCHJMPKW-CYBMUJFWSA-N 0 0 456.814 4.536 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001360331329 1065175551 /nfs/dbraw/zinc/17/55/51/1065175551.db2.gz TZAWYGQWTWGKNV-IMWIBFENSA-N 0 0 461.676 4.984 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC001360331263 1065175611 /nfs/dbraw/zinc/17/56/11/1065175611.db2.gz XHSHDVMOMBSXPC-UHFFFAOYSA-N 0 0 450.560 4.943 20 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CC(C)O[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360333392 1065178934 /nfs/dbraw/zinc/17/89/34/1065178934.db2.gz IDMZQQJKCZBWBA-LJQANCHMSA-N 0 0 476.952 4.781 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC001436098940 1065179131 /nfs/dbraw/zinc/17/91/31/1065179131.db2.gz FEOHQTCBQOQRDV-FCHUYYIVSA-N 0 0 458.942 4.590 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2Cc2cc(F)ccc2F)CCOC1 ZINC001360333820 1065179435 /nfs/dbraw/zinc/17/94/35/1065179435.db2.gz LBCDZEDDTSWWTL-VWLOTQADSA-N 0 0 460.569 4.828 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC=C(c4ccc(O)cc4)CC3)n2CCSC(F)(F)F)CCOC1 ZINC001360333821 1065179472 /nfs/dbraw/zinc/17/94/72/1065179472.db2.gz LBNOZUIJFRTVOH-JOCHJYFZSA-N 0 0 498.571 4.571 20 0 JJADRN CCc1nc(C)c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 ZINC001436100044 1065179817 /nfs/dbraw/zinc/17/98/17/1065179817.db2.gz DLPANOIFUHXIQZ-HNNXBMFYSA-N 0 0 454.390 4.981 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001360334707 1065179987 /nfs/dbraw/zinc/17/99/87/1065179987.db2.gz ZVLQRBNPOCLGDN-FMIVXFBMSA-N 0 0 453.589 4.740 20 0 JJADRN O=C(CCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1)NC(c1ccccc1)c1ccccc1 ZINC001360334690 1065179997 /nfs/dbraw/zinc/17/99/97/1065179997.db2.gz ZJQVANQENYDINA-DEOSSOPVSA-N 0 0 459.565 4.597 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)c12 ZINC001360334379 1065180059 /nfs/dbraw/zinc/18/00/59/1065180059.db2.gz VSAJESBITNRYDX-FQEVSTJZSA-N 0 0 458.603 4.941 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)CCOC1 ZINC001360335232 1065180610 /nfs/dbraw/zinc/18/06/10/1065180610.db2.gz AQGYEYMRVHTVQT-JXHRLWIKSA-N 0 0 488.595 4.693 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(F)(F)c2ccccc2)CCOC1 ZINC001360335337 1065180678 /nfs/dbraw/zinc/18/06/78/1065180678.db2.gz CQSCMZWUSGHXDF-CYFREDJKSA-N 0 0 462.585 4.983 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2F)CC1=O ZINC001436101304 1065180744 /nfs/dbraw/zinc/18/07/44/1065180744.db2.gz INYZJWRMMIRKHU-NSHDSACASA-N 0 0 455.711 4.550 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001360335385 1065181313 /nfs/dbraw/zinc/18/13/13/1065181313.db2.gz DECBIUZBZQOMNO-OUDXUNEISA-N 0 0 458.622 4.918 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H](C)Oc2cccc(F)c2)CCOC1 ZINC001360335380 1065181371 /nfs/dbraw/zinc/18/13/71/1065181371.db2.gz DDMSTEOLWISFEG-CUVVAGTFSA-N 0 0 474.621 4.798 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC001436102441 1065181365 /nfs/dbraw/zinc/18/13/65/1065181365.db2.gz XJKKTFSDJQCCSV-HXUWFJFHSA-N 0 0 452.967 4.820 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCc2cc(F)cc(F)c2)CCOC1 ZINC001360335423 1065181401 /nfs/dbraw/zinc/18/14/01/1065181401.db2.gz DWBCUSRQWUAVEJ-RUZDIDTESA-N 0 0 462.585 4.712 20 0 JJADRN 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O=C(Cc1cccc(Br)c1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001360353377 1065201095 /nfs/dbraw/zinc/20/10/95/1065201095.db2.gz LBCRBCAHIDDWPK-UHFFFAOYSA-N 0 0 453.739 4.661 20 0 JJADRN CC(=O)N[C@H](CC(=O)OCc1ccc(OC(F)(F)F)cc1Cl)c1ccc(F)cc1F ZINC001436127445 1065201291 /nfs/dbraw/zinc/20/12/91/1065201291.db2.gz FJUGFBZVUINXIR-QGZVFWFLSA-N 0 0 451.775 4.828 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2ccco2)C(C)C)cc1 ZINC001360354093 1065201593 /nfs/dbraw/zinc/20/15/93/1065201593.db2.gz DGOZBGLDBFKOCX-UHFFFAOYSA-N 0 0 474.565 4.769 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccc(F)cc2)cn1 ZINC001360354099 1065201745 /nfs/dbraw/zinc/20/17/45/1065201745.db2.gz DONBGGITPKOPNZ-UHFFFAOYSA-N 0 0 496.974 4.878 20 0 JJADRN Cn1c(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc2cc(Br)cnc21 ZINC001436128740 1065201792 /nfs/dbraw/zinc/20/17/92/1065201792.db2.gz RQXYPKXLWQPKPJ-UHFFFAOYSA-N 0 0 458.356 4.862 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CSc3ccc(Br)cc32)CCN1C(=O)OC(C)(C)C ZINC001436128540 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ZINC001436177138 1065230832 /nfs/dbraw/zinc/23/08/32/1065230832.db2.gz VCUQXCRDWLYNGC-HNAYVOBHSA-N 0 0 458.839 4.934 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)OCc2cncc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001436177133 1065230908 /nfs/dbraw/zinc/23/09/08/1065230908.db2.gz VCUQXCRDWLYNGC-BEFAXECRSA-N 0 0 458.839 4.934 20 0 JJADRN COC1(CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCC(c2ccccc2)CC1 ZINC001436177391 1065230927 /nfs/dbraw/zinc/23/09/27/1065230927.db2.gz JUKFYSXEAHTEPX-IDZWTHILSA-N 0 0 450.579 4.504 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC=CCC2)CCO1 ZINC001360371055 1065230905 /nfs/dbraw/zinc/23/09/05/1065230905.db2.gz XNWIUBZHDNSWHX-GHTZIAJQSA-N 0 0 475.431 4.694 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001360372981 1065231994 /nfs/dbraw/zinc/23/19/94/1065231994.db2.gz UOXDVWXBFSNZDB-VWLOTQADSA-N 0 0 458.603 4.994 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CCO1 ZINC001360373489 1065232208 /nfs/dbraw/zinc/23/22/08/1065232208.db2.gz UNAZCHDMRBHKQX-VWLOTQADSA-N 0 0 493.652 4.519 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)c2ccccc2)c1 ZINC001436179155 1065232145 /nfs/dbraw/zinc/23/21/45/1065232145.db2.gz HWRQKSWAFAWPEV-VWLOTQADSA-N 0 0 456.542 4.733 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@H]3CCOC3)o2)cc1 ZINC001436179909 1065232179 /nfs/dbraw/zinc/23/21/79/1065232179.db2.gz GBTRKNYNIVSTGB-LEWJYISDSA-N 0 0 454.567 4.754 20 0 JJADRN C[C@@H](OC(=O)c1ncc(Br)cc1Br)c1ccc(C(F)(F)F)nc1 ZINC001436180668 1065232652 /nfs/dbraw/zinc/23/26/52/1065232652.db2.gz XKYRMOQWURBZCI-SSDOTTSWSA-N 0 0 454.040 4.938 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CCO1 ZINC001360374447 1065232653 /nfs/dbraw/zinc/23/26/53/1065232653.db2.gz ADTYGIGSKAKVDL-RTWAWAEBSA-N 0 0 495.089 4.813 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)CCO1 ZINC001360374445 1065232679 /nfs/dbraw/zinc/23/26/79/1065232679.db2.gz ADTYGIGSKAKVDL-LEWJYISDSA-N 0 0 495.089 4.813 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(F)(F)F)CCO1 ZINC001360374695 1065232868 /nfs/dbraw/zinc/23/28/68/1065232868.db2.gz FPOWPKZRIUOUGI-FQEVSTJZSA-N 0 0 468.564 4.672 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2occc2Br)C1 ZINC001436180536 1065232809 /nfs/dbraw/zinc/23/28/09/1065232809.db2.gz CMXFOSLLYMTWQD-CQSZACIVSA-N 0 0 456.178 4.820 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(SC(=O)N(C)C)c3)cc2C1=O ZINC001436180832 1065233167 /nfs/dbraw/zinc/23/31/67/1065233167.db2.gz KPDDYEZLTLZKOJ-UHFFFAOYSA-N 0 0 459.955 4.762 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360374855 1065233170 /nfs/dbraw/zinc/23/31/70/1065233170.db2.gz IOADOVXAMVZBRE-JOCHJYFZSA-N 0 0 468.667 4.733 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N[C@H]1CCCN(c3c(C)cc(Br)cc3C)C1)CC2 ZINC001436181180 1065233216 /nfs/dbraw/zinc/23/32/16/1065233216.db2.gz HULLSMZXTLHGAB-PMACEKPBSA-N 0 0 457.412 4.890 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)c1csc(-c3cc(Br)ccc3OC)n1)C2 ZINC001436180818 1065233330 /nfs/dbraw/zinc/23/33/30/1065233330.db2.gz KERLOVDNEYWBRR-UHFFFAOYSA-N 0 0 451.386 4.612 20 0 JJADRN Cc1cc(Cl)c(OC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1F ZINC001436181324 1065233391 /nfs/dbraw/zinc/23/33/91/1065233391.db2.gz BMYYYQKAUHSYGQ-UHFFFAOYSA-N 0 0 458.902 4.780 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001436181115 1065233434 /nfs/dbraw/zinc/23/34/34/1065233434.db2.gz FJMLWMQBGVTRGN-AWEZNQCLSA-N 0 0 451.539 4.998 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001360375222 1065233384 /nfs/dbraw/zinc/23/33/84/1065233384.db2.gz FHVWJZURYLZXPG-CYBMUJFWSA-N 0 0 459.281 4.954 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001436181631 1065233806 /nfs/dbraw/zinc/23/38/06/1065233806.db2.gz IQOYDKRFWBQESP-KNQAVFIVSA-N 0 0 459.428 4.799 20 0 JJADRN CC(C)c1ccccc1OCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001360376229 1065233978 /nfs/dbraw/zinc/23/39/78/1065233978.db2.gz YWGGGEZJKXUSIL-QFIPXVFZSA-N 0 0 454.636 4.818 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001360376379 1065234312 /nfs/dbraw/zinc/23/43/12/1065234312.db2.gz BTIZLQAGTPWYLK-AJSBUHFISA-N 0 0 474.671 4.569 20 0 JJADRN CC(C)OCCCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001360376396 1065234341 /nfs/dbraw/zinc/23/43/41/1065234341.db2.gz CDCMHRIKYMZXTK-FQEVSTJZSA-N 0 0 465.436 4.947 20 0 JJADRN CC(C)OCCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001360376397 1065234355 /nfs/dbraw/zinc/23/43/55/1065234355.db2.gz CDCMHRIKYMZXTK-HXUWFJFHSA-N 0 0 465.436 4.947 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1 ZINC001436182767 1065234356 /nfs/dbraw/zinc/23/43/56/1065234356.db2.gz PSXKQPNVLJUTIV-UHFFFAOYSA-N 0 0 457.315 4.980 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360376349 1065234581 /nfs/dbraw/zinc/23/45/81/1065234581.db2.gz AXSVEWXGOFIGGB-LJQANCHMSA-N 0 0 452.477 4.664 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001436182891 1065234426 /nfs/dbraw/zinc/23/44/26/1065234426.db2.gz PXAHMJXGDMFASK-SFHVURJKSA-N 0 0 455.356 4.515 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360376431 1065235097 /nfs/dbraw/zinc/23/50/97/1065235097.db2.gz CYVFIHGLURDPPZ-UHFFFAOYSA-N 0 0 451.011 4.639 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360376442 1065235282 /nfs/dbraw/zinc/23/52/82/1065235282.db2.gz DJRXFOBMAUKCAX-DYESRHJHSA-N 0 0 450.986 4.948 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)ccc1Cl ZINC001436183481 1065235670 /nfs/dbraw/zinc/23/56/70/1065235670.db2.gz ZWJRQLANCRQUSZ-LJQANCHMSA-N 0 0 450.029 4.842 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001436183962 1065235715 /nfs/dbraw/zinc/23/57/15/1065235715.db2.gz ZSTWRMTURDDBRA-CQSZACIVSA-N 0 0 451.539 4.998 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360376536 1065235751 /nfs/dbraw/zinc/23/57/51/1065235751.db2.gz GOCIONYQKINSOV-HNNXBMFYSA-N 0 0 474.394 4.733 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001360376599 1065235804 /nfs/dbraw/zinc/23/58/04/1065235804.db2.gz IXFQAPRHKMZSGQ-GAJHUEQPSA-N 0 0 483.440 4.841 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCCC[C@H]3COC(=O)N3CCC(C)CC3)cs2)cc1 ZINC001436184716 1065236166 /nfs/dbraw/zinc/23/61/66/1065236166.db2.gz AGEOUQTVJHSNLO-IBGZPJMESA-N 0 0 457.596 4.682 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360376703 1065236353 /nfs/dbraw/zinc/23/63/53/1065236353.db2.gz MELHMCICGAFVQN-QFIPXVFZSA-N 0 0 482.467 4.882 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Nc3cc(F)c(Br)c(Cl)c3)CC2=O)cc1 ZINC001436186852 1065237495 /nfs/dbraw/zinc/23/74/95/1065237495.db2.gz IXTWHCYFAMYFLW-SNVBAGLBSA-N 0 0 457.752 4.955 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360376940 1065237553 /nfs/dbraw/zinc/23/75/53/1065237553.db2.gz SFDUBYYGPCHASW-UHFFFAOYSA-N 0 0 466.630 4.934 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360376993 1065237566 /nfs/dbraw/zinc/23/75/66/1065237566.db2.gz UONFEDFNYHEVGA-FUHIMQAGSA-N 0 0 488.526 4.918 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](Oc3ccccc3OC)C2)CC1=O ZINC001436187126 1065237656 /nfs/dbraw/zinc/23/76/56/1065237656.db2.gz YRGXBHTVLIFBEW-ACRUOGEOSA-N 0 0 450.579 4.632 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)nn1-c1cccc(Cl)c1 ZINC001436187834 1065238003 /nfs/dbraw/zinc/23/80/03/1065238003.db2.gz XFMPBDPJGMKOHB-OAQYLSRUSA-N 0 0 458.990 4.697 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001436187766 1065238179 /nfs/dbraw/zinc/23/81/79/1065238179.db2.gz FXDBUGWCAAJMMR-UGSOOPFHSA-N 0 0 454.354 4.792 20 0 JJADRN Cc1cc([C@H](CC(=O)NCC2(c3ccccn3)CCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436187707 1065238221 /nfs/dbraw/zinc/23/82/21/1065238221.db2.gz DVJSTBGQKWKBBS-SFHVURJKSA-N 0 0 458.990 4.632 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360377107 1065238236 /nfs/dbraw/zinc/23/82/36/1065238236.db2.gz XOFLACAYYAPAEV-UHFFFAOYSA-N 0 0 479.547 4.971 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001436188429 1065238655 /nfs/dbraw/zinc/23/86/55/1065238655.db2.gz FBPXKPYCMOMKRZ-NZQKXSOJSA-N 0 0 451.567 4.524 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 ZINC001436187994 1065238789 /nfs/dbraw/zinc/23/87/89/1065238789.db2.gz CPWTTZVYZHFMNI-UHFFFAOYSA-N 0 0 451.901 4.692 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)Oc2c(Cl)cc(Br)cc2Cl)=NN1c1ccccc1 ZINC001360378441 1065238825 /nfs/dbraw/zinc/23/88/25/1065238825.db2.gz PPSRIEABFIPCBI-INIZCTEOSA-N 0 0 456.123 4.885 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360378774 1065239205 /nfs/dbraw/zinc/23/92/05/1065239205.db2.gz ADSAHVAVRWBIMU-QFIPXVFZSA-N 0 0 473.980 4.916 20 0 JJADRN CC(C)OCCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001360378973 1065239284 /nfs/dbraw/zinc/23/92/84/1065239284.db2.gz HHBZRKDDTBBTLZ-QFIPXVFZSA-N 0 0 458.006 4.720 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001436189279 1065239695 /nfs/dbraw/zinc/23/96/95/1065239695.db2.gz HEAMUKXAAXFEQP-UHFFFAOYSA-N 0 0 453.276 4.546 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360379066 1065239927 /nfs/dbraw/zinc/23/99/27/1065239927.db2.gz KDFYYMQWMOVDQI-UHFFFAOYSA-N 0 0 450.509 4.539 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)c1Br ZINC001436190171 1065240231 /nfs/dbraw/zinc/24/02/31/1065240231.db2.gz MMCDXSVCKINEEL-UHFFFAOYSA-N 0 0 457.324 4.637 20 0 JJADRN CCc1c(C(=O)NC[C@H](C)Oc2ccc(C(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001436190705 1065240863 /nfs/dbraw/zinc/24/08/63/1065240863.db2.gz NCJIZPGVYHLQEQ-IBGZPJMESA-N 0 0 450.583 4.938 20 0 JJADRN COC(=O)c1cc(NC(=O)CCCc2ccc(OC)cc2OC)c(C)cc1Br ZINC001436190747 1065240875 /nfs/dbraw/zinc/24/08/75/1065240875.db2.gz HCXOKGSVLXSLHK-UHFFFAOYSA-N 0 0 450.329 4.523 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379711 1065240913 /nfs/dbraw/zinc/24/09/13/1065240913.db2.gz DRVKTIRBKQYKGB-YADHBBJMSA-N 0 0 472.605 4.616 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001360379800 1065240995 /nfs/dbraw/zinc/24/09/95/1065240995.db2.gz GFWGQJAUCXCBHK-LJQANCHMSA-N 0 0 478.584 4.703 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC001436191641 1065241301 /nfs/dbraw/zinc/24/13/01/1065241301.db2.gz SIQZEHUXBNLTCB-AWEZNQCLSA-N 0 0 450.436 4.746 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001360380073 1065241480 /nfs/dbraw/zinc/24/14/80/1065241480.db2.gz MGQSHWDMFAEWNI-QHCPKHFHSA-N 0 0 484.645 4.515 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1cccc(OCc2ccccc2)c1 ZINC001436192708 1065242003 /nfs/dbraw/zinc/24/20/03/1065242003.db2.gz AWBZLJPSXAMYQY-UHFFFAOYSA-N 0 0 456.498 4.806 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360382110 1065243141 /nfs/dbraw/zinc/24/31/41/1065243141.db2.gz GNJSWQJLYWNIQS-SIKLNZKXSA-N 0 0 463.022 4.721 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccccn2)nnc1N1CCc2cccc(Br)c2C1 ZINC001360382124 1065243157 /nfs/dbraw/zinc/24/31/57/1065243157.db2.gz GVRSKAOZTJJSIV-UHFFFAOYSA-N 0 0 484.442 4.794 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(I)cn3)sc2C1 ZINC001436195813 1065243652 /nfs/dbraw/zinc/24/36/52/1065243652.db2.gz WUDXEZPNXWBXPZ-LLVKDONJSA-N 0 0 455.365 4.936 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001360382501 1065244047 /nfs/dbraw/zinc/24/40/47/1065244047.db2.gz SBOPALDVMFYYGZ-SWYRRKHMSA-N 0 0 491.677 4.561 20 0 JJADRN CC(C)OCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001360382441 1065244058 /nfs/dbraw/zinc/24/40/58/1065244058.db2.gz PPQCJMDWRVJHRV-NRFANRHFSA-N 0 0 477.447 4.776 20 0 JJADRN CC(C)OCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360382434 1065244078 /nfs/dbraw/zinc/24/40/78/1065244078.db2.gz PFKOPVZFGJCTEV-NRFANRHFSA-N 0 0 450.574 4.604 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001360382510 1065244262 /nfs/dbraw/zinc/24/42/62/1065244262.db2.gz SFHDFMXEADCVAM-UHFFFAOYSA-N 0 0 475.609 4.740 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001360382683 1065244738 /nfs/dbraw/zinc/24/47/38/1065244738.db2.gz YHJRISPUDSTJEO-FQEVSTJZSA-N 0 0 471.646 4.990 20 0 JJADRN CC(C)OCCCCn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360382923 1065245236 /nfs/dbraw/zinc/24/52/36/1065245236.db2.gz FXHNEUQVEIPDME-RLWLMLJZSA-N 0 0 456.631 4.648 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1=O ZINC001436197622 1065245249 /nfs/dbraw/zinc/24/52/49/1065245249.db2.gz XJJLXMHIUAMYLT-OAHLLOKOSA-N 0 0 450.402 4.571 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2cc(C)c(F)cc2Cl)cc1 ZINC001436197878 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O=C(CCCOc1ccc2c(c1)OCO2)OCc1ccc(OC(F)F)c(Br)c1 ZINC001436381668 1065306356 /nfs/dbraw/zinc/30/63/56/1065306356.db2.gz PQEQLVVHROKMFK-UHFFFAOYSA-N 0 0 459.239 4.682 20 0 JJADRN CC(=O)N(CCC(=O)OCc1ccc(OC(F)F)c(Br)c1)Cc1ccccc1 ZINC001436382701 1065306443 /nfs/dbraw/zinc/30/64/43/1065306443.db2.gz XFKXZSHNGOXGFU-UHFFFAOYSA-N 0 0 456.283 4.533 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)CCc1ccc(C)cc1Br)c1ccccc1 ZINC001436386609 1065307001 /nfs/dbraw/zinc/30/70/01/1065307001.db2.gz PQBLIYMRSIYMSA-LJQANCHMSA-N 0 0 454.311 4.746 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)sc1C(F)(F)F ZINC001436386162 1065307070 /nfs/dbraw/zinc/30/70/70/1065307070.db2.gz OFFOMERBVNLBDJ-UHFFFAOYSA-N 0 0 455.389 4.917 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)CSc1ccccc1Br)c1ccccc1 ZINC001436388692 1065307111 /nfs/dbraw/zinc/30/71/11/1065307111.db2.gz YOCKDJZOQCJGRC-QGZVFWFLSA-N 0 0 458.324 4.597 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001436387182 1065307146 /nfs/dbraw/zinc/30/71/46/1065307146.db2.gz YSMGFTMWICWXFV-OUKQBFOZSA-N 0 0 453.583 4.943 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1CCC(=O)NC1CCCCC1 ZINC001360431270 1065307514 /nfs/dbraw/zinc/30/75/14/1065307514.db2.gz BZYFOHVMCZXKFD-GOSISDBHSA-N 0 0 450.562 4.516 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccnc2)n1CC(=O)N(C)C1CCCCC1 ZINC001360431750 1065308072 /nfs/dbraw/zinc/30/80/72/1065308072.db2.gz KZFMQHLVCIKLFA-KRWDZBQOSA-N 0 0 468.552 4.607 20 0 JJADRN CCOC(=O)CN1c2ccc(NC(=O)[C@](C)(Cc3ccccc3)C(C)C)cc2C(F)(F)C1=O ZINC001436397521 1065309002 /nfs/dbraw/zinc/30/90/02/1065309002.db2.gz FULBMKCCLWRSOW-XMMPIXPASA-N 0 0 458.505 4.532 20 0 JJADRN CCOC(=O)CN1c2ccc(NC(=O)[C@H](CCc3ccccc3)C(C)C)cc2C(F)(F)C1=O ZINC001436397682 1065309026 /nfs/dbraw/zinc/30/90/26/1065309026.db2.gz MSHHXGDILIGRPD-LJQANCHMSA-N 0 0 458.505 4.532 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)cc1S(=O)(=O)C1CCCC1 ZINC001436396856 1065309097 /nfs/dbraw/zinc/30/90/97/1065309097.db2.gz LJOIFUCDMRALMB-UHFFFAOYSA-N 0 0 457.983 4.862 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCC(F)F ZINC001360432397 1065309290 /nfs/dbraw/zinc/30/92/90/1065309290.db2.gz PDIFZOUHYXEGLV-LBPRGKRZSA-N 0 0 457.859 4.751 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1CCOc1ncccc1Cl ZINC001360432176 1065309342 /nfs/dbraw/zinc/30/93/42/1065309342.db2.gz IVCCAXKXVOLNLD-MRXNPFEDSA-N 0 0 452.921 4.804 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccnc2)n1Cc1cccnc1OCC(F)F ZINC001360432614 1065310606 /nfs/dbraw/zinc/31/06/06/1065310606.db2.gz QLAJYQMYDCMQNT-HNNXBMFYSA-N 0 0 486.473 4.903 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC001436406276 1065311184 /nfs/dbraw/zinc/31/11/84/1065311184.db2.gz PHRVWCQOCMTZAK-UHFFFAOYSA-N 0 0 452.873 4.775 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC001360432933 1065311315 /nfs/dbraw/zinc/31/13/15/1065311315.db2.gz RRGZCENFVOJTCX-SJORKVTESA-N 0 0 486.567 4.653 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C1CC1 ZINC001436413169 1065312430 /nfs/dbraw/zinc/31/24/30/1065312430.db2.gz OZPRCNZPZVZZSH-NRFANRHFSA-N 0 0 451.897 4.555 20 0 JJADRN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1OCc1ccc(F)cc1 ZINC001436412524 1065312465 /nfs/dbraw/zinc/31/24/65/1065312465.db2.gz JAOWQDVBFFQTRL-LJQANCHMSA-N 0 0 458.489 4.928 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2ccccc2OCc2ccc(F)cc2)cc1S(C)(=O)=O ZINC001436410994 1065312670 /nfs/dbraw/zinc/31/26/70/1065312670.db2.gz CCWAHYWDLBVUGS-MRXNPFEDSA-N 0 0 458.507 4.735 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)nn1-c1cccc(F)c1 ZINC001436413640 1065312704 /nfs/dbraw/zinc/31/27/04/1065312704.db2.gz VDXCRAQTRARHIJ-UHFFFAOYSA-N 0 0 454.506 4.548 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360433677 1065312497 /nfs/dbraw/zinc/31/24/97/1065312497.db2.gz UFHGPLCGWODLIM-IBGZPJMESA-N 0 0 493.631 4.571 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC(C)(C)C)n1CCCCCS(C)(=O)=O ZINC001360433533 1065312559 /nfs/dbraw/zinc/31/25/59/1065312559.db2.gz VYDNKEAICUDEDI-MRXNPFEDSA-N 0 0 456.603 4.557 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccs1 ZINC001360433784 1065313117 /nfs/dbraw/zinc/31/31/17/1065313117.db2.gz XKSIZNSNAPCLAV-OAHLLOKOSA-N 0 0 461.582 4.834 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CC1 ZINC001360433871 1065313258 /nfs/dbraw/zinc/31/32/58/1065313258.db2.gz WGGHSGPZYPUYCP-GFCCVEGCSA-N 0 0 451.365 4.631 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360433725 1065313357 /nfs/dbraw/zinc/31/33/57/1065313357.db2.gz VLQARCLCNBIHEV-AWEZNQCLSA-N 0 0 457.435 4.534 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC(F)F)c1 ZINC001360433894 1065313867 /nfs/dbraw/zinc/31/38/67/1065313867.db2.gz WVEFRFAHTZUNEY-KXBFYZLASA-N 0 0 461.488 4.901 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@@H](C)c1ccccc1 ZINC001545897893 1065314082 /nfs/dbraw/zinc/31/40/82/1065314082.db2.gz IWFUDFFJGYAPMQ-VSKRKVRLSA-N 0 0 467.658 4.643 20 0 JJADRN CCc1ccc([C@H](COC)NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)o1 ZINC001360434210 1065314556 /nfs/dbraw/zinc/31/45/56/1065314556.db2.gz BLFHJZYCDIDCOY-KRWDZBQOSA-N 0 0 455.864 4.877 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)[C@H]3CCCCN3C(=O)CC)cc21 ZINC001360434469 1065314574 /nfs/dbraw/zinc/31/45/74/1065314574.db2.gz IEPSCSILOWJDFB-JOCHJYFZSA-N 0 0 454.567 4.938 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)C[C@H]3CCOC[C@H]3OCC)cc21 ZINC001360434988 1065314724 /nfs/dbraw/zinc/31/47/24/1065314724.db2.gz WUWLOHHNIHZPOM-WZONZLPQSA-N 0 0 457.567 4.979 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1)[C@@H]1C[C@@H]1C ZINC001436424240 1065314513 /nfs/dbraw/zinc/31/45/13/1065314513.db2.gz AOPPBJVNMOVEQY-LHSJRXKWSA-N 0 0 459.468 4.846 20 0 JJADRN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC001436426453 1065315158 /nfs/dbraw/zinc/31/51/58/1065315158.db2.gz OGZRVOVCVNGBAO-NTKDMRAZSA-N 0 0 456.521 4.750 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1)[C@@H]1C[C@H]1C ZINC001436424648 1065315186 /nfs/dbraw/zinc/31/51/86/1065315186.db2.gz CFWYPOQWHFHBPG-PUZWTLIVSA-N 0 0 451.567 4.728 20 0 JJADRN O=C(Nc1ccc(I)cn1)c1cccc2cccc(Br)c21 ZINC001360435262 1065315168 /nfs/dbraw/zinc/31/51/68/1065315168.db2.gz CDXVXGDMCUMKPQ-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)COc2ccc(Cl)c(F)c2)n1C ZINC001360435056 1065315197 /nfs/dbraw/zinc/31/51/97/1065315197.db2.gz YQBYVLQKOPNYNC-UHFFFAOYSA-N 0 0 452.711 4.968 20 0 JJADRN COc1cccc(/C=C/c2ccc(OC(=O)[C@H]3CC(c4cc(OC)ccc4OC)=NO3)cc2)c1 ZINC001436427501 1065315984 /nfs/dbraw/zinc/31/59/84/1065315984.db2.gz LPOAAFXLGHANRD-DIJOXEGBSA-N 0 0 459.498 4.981 20 0 JJADRN COc1cc(CCNC(=O)c2scc(Br)c2Br)ccc1Cl ZINC001436430751 1065317334 /nfs/dbraw/zinc/31/73/34/1065317334.db2.gz JQJDBJQSKVXJEH-UHFFFAOYSA-N 0 0 453.583 4.908 20 0 JJADRN COc1cc(CCNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC001436430173 1065317364 /nfs/dbraw/zinc/31/73/64/1065317364.db2.gz GXZJPJNQBRRRAA-GOSISDBHSA-N 0 0 455.769 4.619 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[C@@H](C)c1ccccc1 ZINC001545897505 1065318071 /nfs/dbraw/zinc/31/80/71/1065318071.db2.gz AQMOXIBJGGTURI-QPPBQGQZSA-N 0 0 477.657 4.737 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360437515 1065318540 /nfs/dbraw/zinc/31/85/40/1065318540.db2.gz KUPYQSRWXIBDJJ-HNAYVOBHSA-N 0 0 479.478 4.851 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CC2)n1Cc1cscc1C(F)(F)F ZINC001360437408 1065318599 /nfs/dbraw/zinc/31/85/99/1065318599.db2.gz IUBORFNUQHOLGP-CYBMUJFWSA-N 0 0 484.569 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1ccc(C)cc1C ZINC001545898153 1065318711 /nfs/dbraw/zinc/31/87/11/1065318711.db2.gz ONTRPRKUUJDHGS-FCHUYYIVSA-N 0 0 467.658 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CSc2ccccc21 ZINC001436436261 1065318740 /nfs/dbraw/zinc/31/87/40/1065318740.db2.gz KOHDVGDSBOFDAB-UTKZUKDTSA-N 0 0 451.592 4.609 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1Cc1nc(C(C)(C)C)cs1 ZINC001360437690 1065319095 /nfs/dbraw/zinc/31/90/95/1065319095.db2.gz ODLKGSAYNKHTFS-INIZCTEOSA-N 0 0 489.711 4.979 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1 ZINC001360437871 1065319110 /nfs/dbraw/zinc/31/91/10/1065319110.db2.gz RQCUYEBTLDPBKK-FUHWJXTLSA-N 0 0 476.643 4.556 20 0 JJADRN Cc1ncc(C)c(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC001436440535 1065319437 /nfs/dbraw/zinc/31/94/37/1065319437.db2.gz MWOGZJXQBCPTGS-UHFFFAOYSA-N 0 0 458.490 4.678 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)NC/C=C\c1ccc(Br)cc1 ZINC001436441370 1065319614 /nfs/dbraw/zinc/31/96/14/1065319614.db2.gz CBUORIUBDDBVBC-WSNITJDQSA-N 0 0 458.381 4.549 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)s1 ZINC001360438099 1065319778 /nfs/dbraw/zinc/31/97/78/1065319778.db2.gz VSMDFZLAEIVEHX-OAHLLOKOSA-N 0 0 490.054 4.648 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(Cc2ccsc2)n1CCOc1ncccc1F ZINC001360438097 1065319827 /nfs/dbraw/zinc/31/98/27/1065319827.db2.gz VOAFUAZUBXRYBP-MRXNPFEDSA-N 0 0 455.534 4.880 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)NC/C=C/c1ccc(Br)cc1 ZINC001436445800 1065321155 /nfs/dbraw/zinc/32/11/55/1065321155.db2.gz QTFGHFIVEPPWHO-DUXPYHPUSA-N 0 0 455.308 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1(C)CCCC1 ZINC001545898347 1065321663 /nfs/dbraw/zinc/32/16/63/1065321663.db2.gz RVJRIGYWSXBZQW-IBGZPJMESA-N 0 0 490.693 4.518 20 0 JJADRN CN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)nn1 ZINC001360439572 1065321716 /nfs/dbraw/zinc/32/17/16/1065321716.db2.gz RDMQEHZZBMFZGG-UHFFFAOYSA-N 0 0 458.831 4.673 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CC1CC(F)(F)C1 ZINC001360439373 1065321767 /nfs/dbraw/zinc/32/17/67/1065321767.db2.gz ISIZJMDJDLQPED-MRXNPFEDSA-N 0 0 466.598 4.657 20 0 JJADRN COCc1c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cnn1-c1ccccc1 ZINC001436449949 1065322350 /nfs/dbraw/zinc/32/23/50/1065322350.db2.gz QGNNUYVZYOBSJZ-AOMKIAJQSA-N 0 0 459.468 4.640 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001436453582 1065322442 /nfs/dbraw/zinc/32/24/42/1065322442.db2.gz YGUGUGFUJNGOIG-LIRRHRJNSA-N 0 0 450.457 4.658 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 ZINC001360440073 1065323069 /nfs/dbraw/zinc/32/30/69/1065323069.db2.gz OBGUFWKCXDHNDR-UGAOPGRHSA-N 0 0 482.679 4.653 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360440198 1065323088 /nfs/dbraw/zinc/32/30/88/1065323088.db2.gz OLKRIQINIUOFLW-ZZQWGBOMSA-N 0 0 463.529 4.552 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CCC[C@@H]1CCCCO1 ZINC001360440373 1065323476 /nfs/dbraw/zinc/32/34/76/1065323476.db2.gz QYWJBOVUPRXOPA-FQNHZRHJSA-N 0 0 467.639 4.624 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CCC[C@H]1CCCCO1 ZINC001360440372 1065323510 /nfs/dbraw/zinc/32/35/10/1065323510.db2.gz QYWJBOVUPRXOPA-FOFZODDOSA-N 0 0 467.639 4.624 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001436461437 1065323581 /nfs/dbraw/zinc/32/35/81/1065323581.db2.gz HCCDFGWZRBIUFU-NRFANRHFSA-N 0 0 456.539 4.604 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CCCC1CCCC1 ZINC001360440657 1065324360 /nfs/dbraw/zinc/32/43/60/1065324360.db2.gz VFMDWCDWBOIVQL-CVCYQNGTSA-N 0 0 454.644 4.584 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360440926 1065324882 /nfs/dbraw/zinc/32/48/82/1065324882.db2.gz ZHTXFWRWJHPCAY-MZDMPTQBSA-N 0 0 488.608 4.886 20 0 JJADRN CCSc1ccc(CC(=O)Nc2cc(COC)cc(C(=O)OC)c2)c(Br)c1 ZINC001436465259 1065325048 /nfs/dbraw/zinc/32/50/48/1065325048.db2.gz PKSHGXQHKZOEJN-UHFFFAOYSA-N 0 0 452.370 4.675 20 0 JJADRN Cc1cc(C2(C(=O)NCC(C)(C)c3ccc(Br)cc3Cl)CCOCC2)on1 ZINC001436466631 1065325716 /nfs/dbraw/zinc/32/57/16/1065325716.db2.gz QLHFFRWWOGGPBZ-UHFFFAOYSA-N 0 0 455.780 4.541 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360441609 1065326321 /nfs/dbraw/zinc/32/63/21/1065326321.db2.gz DVAITFYEQDUOAF-JBMFCHSESA-N 0 0 473.593 4.634 20 0 JJADRN COc1cc(N(C)C(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc(OC)c1OC ZINC001360441546 1065326391 /nfs/dbraw/zinc/32/63/91/1065326391.db2.gz PTRAJWAXFVNYLL-UHFFFAOYSA-N 0 0 451.910 4.981 20 0 JJADRN CC(C)(CNC(=O)c1csc(-c2cnccn2)n1)c1ccc(Br)cc1Cl ZINC001436468195 1065326374 /nfs/dbraw/zinc/32/63/74/1065326374.db2.gz XNUDRKZRIRVLHT-UHFFFAOYSA-N 0 0 451.777 4.724 20 0 JJADRN COCc1cc(NC(=O)CCCSc2ccc(Br)cc2)cc(C(=O)OC)c1 ZINC001436467626 1065326491 /nfs/dbraw/zinc/32/64/91/1065326491.db2.gz YIIQPEOTTMXSCL-UHFFFAOYSA-N 0 0 452.370 4.893 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C2=Cc3cc(Br)ccc3OC2)c2ccccc2n1 ZINC001436468646 1065326567 /nfs/dbraw/zinc/32/65/67/1065326567.db2.gz SENQYHWGFSRRQV-UHFFFAOYSA-N 0 0 453.292 4.589 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N(C)c3cc(OC)c(OC)c(OC)c3)CC2(Cl)Cl)cc1 ZINC001360441906 1065326969 /nfs/dbraw/zinc/32/69/69/1065326969.db2.gz WVCHLKPZIYIMSW-OAQYLSRUSA-N 0 0 454.350 4.590 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001436470964 1065327147 /nfs/dbraw/zinc/32/71/47/1065327147.db2.gz HKBOSYDNVXQSCP-HRAATJIYSA-N 0 0 451.473 4.634 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F ZINC001360442325 1065327591 /nfs/dbraw/zinc/32/75/91/1065327591.db2.gz MCXDNWHMRQYIJY-JVQZBDBKSA-N 0 0 480.625 4.932 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1CCCc1nccs1 ZINC001360442347 1065327628 /nfs/dbraw/zinc/32/76/28/1065327628.db2.gz MMPDTIKWEJSYBN-AGALUIKZSA-N 0 0 473.668 4.544 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1 ZINC001360442348 1065327640 /nfs/dbraw/zinc/32/76/40/1065327640.db2.gz MMPDTIKWEJSYBN-KQWPWLJJSA-N 0 0 473.668 4.544 20 0 JJADRN COc1cc(I)ccc1NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001436476488 1065328498 /nfs/dbraw/zinc/32/84/98/1065328498.db2.gz FLWLOWLFDYAHGQ-CQSZACIVSA-N 0 0 453.173 4.968 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC1CCC(F)(F)CC1 ZINC001360442888 1065328573 /nfs/dbraw/zinc/32/85/73/1065328573.db2.gz UXZOLKDICUHWSJ-MKTHODDLSA-N 0 0 450.599 4.991 20 0 JJADRN O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001436476642 1065328998 /nfs/dbraw/zinc/32/89/98/1065328998.db2.gz GPJKSOWLRDKYIX-GOSISDBHSA-N 0 0 452.498 4.558 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CCCC2)n1C[C@](C)(O)c1cccs1 ZINC001360443360 1065329295 /nfs/dbraw/zinc/32/92/95/1065329295.db2.gz YBDSUWHJWWPMMP-ONKDHXADSA-N 0 0 486.707 4.915 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC001436478414 1065329687 /nfs/dbraw/zinc/32/96/87/1065329687.db2.gz RKJIHZITRJJPQM-SGTLLEGYSA-N 0 0 453.739 4.610 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccncc1Cl ZINC001360443721 1065329870 /nfs/dbraw/zinc/32/98/70/1065329870.db2.gz FUROLZMTKWNJAZ-CQSZACIVSA-N 0 0 455.349 4.993 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC1CC(F)(F)C1 ZINC001360443472 1065329910 /nfs/dbraw/zinc/32/99/10/1065329910.db2.gz ZXGXNSXSFRVNRB-PBNKOMEISA-N 0 0 464.607 4.911 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Br)s2)n1CCOCC(F)F ZINC001360444039 1065330551 /nfs/dbraw/zinc/33/05/51/1065330551.db2.gz LUQOJDCJTUYWLQ-GFCCVEGCSA-N 0 0 487.370 4.954 20 0 JJADRN O=C([C@H]1CCCN(CC(F)(F)F)C1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436484989 1065331287 /nfs/dbraw/zinc/33/12/87/1065331287.db2.gz AQMXQGDDGBHHOA-INIZCTEOSA-N 0 0 456.306 4.652 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(C(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360444207 1065331305 /nfs/dbraw/zinc/33/13/05/1065331305.db2.gz OZTHVRWVSIGGCP-HNNXBMFYSA-N 0 0 463.504 4.971 20 0 JJADRN COc1ccc(COC(=O)c2ccn(-c3ccc(Br)cc3)n2)c(OC(F)F)c1 ZINC001360444766 1065331853 /nfs/dbraw/zinc/33/18/53/1065331853.db2.gz IZOSZLMWTNTYST-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(CC(C)(C)C)n1CCc1cccnc1 ZINC001360444461 1065332036 /nfs/dbraw/zinc/33/20/36/1065332036.db2.gz VLFONCIRMHPHHQ-IBGZPJMESA-N 0 0 462.598 4.658 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360444608 1065332045 /nfs/dbraw/zinc/33/20/45/1065332045.db2.gz VYIBONXXCRUBRP-SYYKKAFVSA-N 0 0 483.657 4.647 20 0 JJADRN O=C(c1csc(-c2cnccn2)n1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436488434 1065332733 /nfs/dbraw/zinc/33/27/33/1065332733.db2.gz QZBZCOKBMTWGOH-UHFFFAOYSA-N 0 0 452.337 4.605 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001436491129 1065333641 /nfs/dbraw/zinc/33/36/41/1065333641.db2.gz KEJYYHIHABKSBR-ZDUSSCGKSA-N 0 0 450.894 4.871 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 ZINC001360445650 1065333712 /nfs/dbraw/zinc/33/37/12/1065333712.db2.gz GPQUNQCQAPKXNJ-IPJJNNNSSA-N 0 0 485.629 4.680 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cc1 ZINC001436490078 1065333819 /nfs/dbraw/zinc/33/38/19/1065333819.db2.gz IKFJLQZQZMRHGQ-ZXIHIIQKSA-N 0 0 457.246 4.899 20 0 JJADRN Cc1onc(-c2cccc(F)c2)c1C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001436491182 1065333837 /nfs/dbraw/zinc/33/38/37/1065333837.db2.gz LMXZUHPBWQWZMK-UHFFFAOYSA-N 0 0 457.505 4.767 20 0 JJADRN Cc1nc2ccccc2c(C)c1CC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001436492858 1065334290 /nfs/dbraw/zinc/33/42/90/1065334290.db2.gz PNQRNBKDWASPIQ-UHFFFAOYSA-N 0 0 451.570 4.758 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)Cc1csc2ccc(Br)cc12 ZINC001436493420 1065335035 /nfs/dbraw/zinc/33/50/35/1065335035.db2.gz WNNRALZDZWQAIE-ZIAGYGMSSA-N 0 0 451.430 4.700 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccoc1 ZINC001360446004 1065335026 /nfs/dbraw/zinc/33/50/26/1065335026.db2.gz MPHCJTJNCDKBPU-UWJYYQICSA-N 0 0 467.570 4.894 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)c2)C1 ZINC001436503583 1065336202 /nfs/dbraw/zinc/33/62/02/1065336202.db2.gz UQCUBTJQJKGTIM-OKHDYOJBSA-N 0 0 454.636 4.667 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360446357 1065336254 /nfs/dbraw/zinc/33/62/54/1065336254.db2.gz UDZKSEKUHWETLZ-KCZVDYSFSA-N 0 0 499.656 4.722 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360447687 1065337400 /nfs/dbraw/zinc/33/74/00/1065337400.db2.gz CTTWCPQZLQRZIJ-KCZVDYSFSA-N 0 0 489.611 4.653 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001360447894 1065338121 /nfs/dbraw/zinc/33/81/21/1065338121.db2.gz GIWCIEZABRHPIW-SFHVURJKSA-N 0 0 480.682 4.808 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)nn2)cc1 ZINC001436508946 1065338246 /nfs/dbraw/zinc/33/82/46/1065338246.db2.gz DSGNWKPRTDIVPD-QHCPKHFHSA-N 0 0 452.002 4.602 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1 ZINC001360448318 1065338674 /nfs/dbraw/zinc/33/86/74/1065338674.db2.gz OBGLCVCRZGDCMR-KNQAVFIVSA-N 0 0 483.707 4.872 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C2CCC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360448344 1065338701 /nfs/dbraw/zinc/33/87/01/1065338701.db2.gz OPXOEZKEQDRIAQ-HXUWFJFHSA-N 0 0 490.652 4.822 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cscc3Br)cc2)cc1 ZINC001436513281 1065338830 /nfs/dbraw/zinc/33/88/30/1065338830.db2.gz UIGSAAAIFOFHHH-UHFFFAOYSA-N 0 0 459.365 4.630 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@@]1(C)CCCS1 ZINC001360448616 1065339380 /nfs/dbraw/zinc/33/93/80/1065339380.db2.gz VBKWEBHQTNMLMK-FQRUVTKNSA-N 0 0 469.699 4.952 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCNc1ncc(Cl)cc1Cl ZINC001360449020 1065339879 /nfs/dbraw/zinc/33/98/79/1065339879.db2.gz ZQJKWIVOFSPLDV-MRXNPFEDSA-N 0 0 488.423 4.525 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC001436517081 1065339972 /nfs/dbraw/zinc/33/99/72/1065339972.db2.gz OHZNWNKBEFKHQZ-UHFFFAOYSA-N 0 0 456.951 4.948 20 0 JJADRN Cc1cc(C(=O)N2CCOc3cc(F)c(Br)cc32)nn1-c1ccc(Cl)cc1 ZINC001436517514 1065339986 /nfs/dbraw/zinc/33/99/86/1065339986.db2.gz UWIXZXOUORGNKI-UHFFFAOYSA-N 0 0 450.695 4.775 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1nscc1Br ZINC001436521089 1065340745 /nfs/dbraw/zinc/34/07/45/1065340745.db2.gz MYHJFYSYHCEGIS-MRXNPFEDSA-N 0 0 456.837 4.932 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360450157 1065341281 /nfs/dbraw/zinc/34/12/81/1065341281.db2.gz HWPQOFVPMBKKMQ-IAGOWNOFSA-N 0 0 459.566 4.902 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001436521525 1065341472 /nfs/dbraw/zinc/34/14/72/1065341472.db2.gz RGSIAVBVLCVRQR-WATLYSKOSA-N 0 0 453.485 4.690 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)c3cccc(I)c3C)c2s1 ZINC001436521919 1065341577 /nfs/dbraw/zinc/34/15/77/1065341577.db2.gz BIRNUYUQTJXSIF-UHFFFAOYSA-N 0 0 451.285 4.853 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)nn1 ZINC001436522339 1065342312 /nfs/dbraw/zinc/34/23/12/1065342312.db2.gz XMCCYQMYVITHPW-JOCHJYFZSA-N 0 0 452.002 4.602 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)c1 ZINC001360450595 1065342618 /nfs/dbraw/zinc/34/26/18/1065342618.db2.gz OWADRLSDIDTIBT-WWPVKYPJSA-N 0 0 450.631 4.760 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001436524473 1065342897 /nfs/dbraw/zinc/34/28/97/1065342897.db2.gz APMJLWSKVMLHKJ-UHFFFAOYSA-N 0 0 453.583 4.533 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360450725 1065343016 /nfs/dbraw/zinc/34/30/16/1065343016.db2.gz RGNZNGNHQXKWPS-QGZVFWFLSA-N 0 0 467.499 4.513 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC001360451133 1065343031 /nfs/dbraw/zinc/34/30/31/1065343031.db2.gz HAOCBHWWLNAZNS-JOCHJYFZSA-N 0 0 454.542 4.556 20 0 JJADRN COC(=O)c1cnc(N(C(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)C2CC2)s1 ZINC001360450940 1065343250 /nfs/dbraw/zinc/34/32/50/1065343250.db2.gz CYWCNBGOOGGZLU-UHFFFAOYSA-N 0 0 451.335 4.540 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)c3ccccc3F)ccc2Cl)C1 ZINC001436525650 1065343557 /nfs/dbraw/zinc/34/35/57/1065343557.db2.gz WFESCZCOAVOQAI-OAHLLOKOSA-N 0 0 452.979 4.565 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2ccsc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360451275 1065343647 /nfs/dbraw/zinc/34/36/47/1065343647.db2.gz YHBKWEHBNNEVFK-SFHVURJKSA-N 0 0 455.628 4.995 20 0 JJADRN O=C(Nc1csnc1-c1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001360451676 1065344028 /nfs/dbraw/zinc/34/40/28/1065344028.db2.gz VYMBGLUIDQCNSH-MRXNPFEDSA-N 0 0 457.502 4.902 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2ccccn2)n1CC(F)(F)Br ZINC001360452058 1065344896 /nfs/dbraw/zinc/34/48/96/1065344896.db2.gz FYQWNVHYVZABRR-ZDUSSCGKSA-N 0 0 454.294 4.588 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001436527191 1065345202 /nfs/dbraw/zinc/34/52/02/1065345202.db2.gz HKDFUWJQLRRKFV-GFCCVEGCSA-N 0 0 457.695 4.709 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccco1 ZINC001360452438 1065345921 /nfs/dbraw/zinc/34/59/21/1065345921.db2.gz LROWHYZJDHMUEG-DHTGGUKISA-N 0 0 495.624 4.747 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C ZINC001360452652 1065346577 /nfs/dbraw/zinc/34/65/77/1065346577.db2.gz PSSZTSPVPLFMBA-SESVDKBCSA-N 0 0 498.672 4.551 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cc1)C1CC1 ZINC001436529751 1065346566 /nfs/dbraw/zinc/34/65/66/1065346566.db2.gz WKBANTGVGDZMHN-UHFFFAOYSA-N 0 0 451.567 4.864 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001436531466 1065347297 /nfs/dbraw/zinc/34/72/97/1065347297.db2.gz OIOSPEZUHMLFQP-UHFFFAOYSA-N 0 0 450.486 4.770 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360452821 1065347272 /nfs/dbraw/zinc/34/72/72/1065347272.db2.gz SPNPUQIXCGLGHQ-DYESRHJHSA-N 0 0 473.593 4.723 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2nccc3cc(Br)ccc32)c1 ZINC001436535594 1065348528 /nfs/dbraw/zinc/34/85/28/1065348528.db2.gz RTTKACBVODDCSF-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)c3cc(Br)ccc3OC(F)F)n2C)cc1 ZINC001436535600 1065348669 /nfs/dbraw/zinc/34/86/69/1065348669.db2.gz BYTLBMARZFFPON-UHFFFAOYSA-N 0 0 452.255 4.712 20 0 JJADRN Cn1cc(COC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(C(F)F)n1 ZINC001436534700 1065348695 /nfs/dbraw/zinc/34/86/95/1065348695.db2.gz ULQMEFXEPPORLB-UHFFFAOYSA-N 0 0 456.218 4.804 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccncc1Cl ZINC001360453881 1065348686 /nfs/dbraw/zinc/34/86/86/1065348686.db2.gz AGLHKDSXOAJHOU-GFCCVEGCSA-N 0 0 461.751 4.923 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cn1 ZINC001360453358 1065348757 /nfs/dbraw/zinc/34/87/57/1065348757.db2.gz ZNJHVPHXQJPJJA-AWEZNQCLSA-N 0 0 487.352 4.965 20 0 JJADRN C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O)c1ccc(N2CCCNC2=O)cc1 ZINC001436536994 1065349316 /nfs/dbraw/zinc/34/93/16/1065349316.db2.gz AKIUPBRUNGCXSH-HNNXBMFYSA-N 0 0 450.926 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCc1cc(C(F)(F)F)ccn1)C1CCCCCC1 ZINC001436537034 1065349389 /nfs/dbraw/zinc/34/93/89/1065349389.db2.gz NNEAHMDJRRNTOJ-IBGZPJMESA-N 0 0 457.537 4.870 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1 ZINC001360453902 1065349382 /nfs/dbraw/zinc/34/93/82/1065349382.db2.gz AOOKAEFYQAPBPD-IAGOWNOFSA-N 0 0 473.643 4.892 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCOC1 ZINC001360453962 1065349883 /nfs/dbraw/zinc/34/98/83/1065349883.db2.gz BMTCDJHDOUPHCZ-WCIQWLHISA-N 0 0 487.620 4.812 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(N4CCCNC4=O)cc3)cs2)cc1 ZINC001436537847 1065350028 /nfs/dbraw/zinc/35/00/28/1065350028.db2.gz HDLPZLBCSWVGKF-INIZCTEOSA-N 0 0 450.564 4.620 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001436539083 1065350807 /nfs/dbraw/zinc/35/08/07/1065350807.db2.gz NZBPYFYVHRCDKL-HSZRJFAPSA-N 0 0 456.945 4.651 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(Br)c2)n1CCCC(=O)NC1CC1 ZINC001360454361 1065351249 /nfs/dbraw/zinc/35/12/49/1065351249.db2.gz IGHNUYAPDZDNBF-OAHLLOKOSA-N 0 0 472.387 4.557 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc(N2CCCNC2=O)cc1 ZINC001436540279 1065351407 /nfs/dbraw/zinc/35/14/07/1065351407.db2.gz RWZTVRXDCQLLCA-INIZCTEOSA-N 0 0 450.926 4.938 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCNC(=O)C1CCC1 ZINC001360454376 1065351991 /nfs/dbraw/zinc/35/19/91/1065351991.db2.gz IQWYGFIPQGRFQB-INIZCTEOSA-N 0 0 486.414 4.804 20 0 JJADRN CC[C@H]1CCCC[C@@H]1CNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001436542746 1065352756 /nfs/dbraw/zinc/35/27/56/1065352756.db2.gz XLMSDRKBGDUSHC-DLBZAZTESA-N 0 0 456.446 4.868 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)COc3ccc(Cl)cc3Br)n2C)cc1 ZINC001436543546 1065353257 /nfs/dbraw/zinc/35/32/57/1065353257.db2.gz UXPGRTDJSLEDNJ-UHFFFAOYSA-N 0 0 450.720 4.529 20 0 JJADRN COc1ccc(/C=C\c2ccc(OC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)cc2)cc1 ZINC001436543157 1065353323 /nfs/dbraw/zinc/35/33/23/1065353323.db2.gz YYAFPHYLGLCBFT-FPLPWBNLSA-N 0 0 451.544 4.772 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(Br)c2)n1CC1([S@@](C)=O)CCC1 ZINC001360454793 1065353442 /nfs/dbraw/zinc/35/34/42/1065353442.db2.gz RRFYGSGURQUSAR-MHTXLSKPSA-N 0 0 477.428 4.799 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)NC(C)(C)C ZINC001360454734 1065353464 /nfs/dbraw/zinc/35/34/64/1065353464.db2.gz QAKABLUWQYQQEH-HNNXBMFYSA-N 0 0 474.403 4.803 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)N1CCOCC1 ZINC001360454834 1065353523 /nfs/dbraw/zinc/35/35/23/1065353523.db2.gz STGCYMDHROLIBG-HNNXBMFYSA-N 0 0 494.459 4.670 20 0 JJADRN O=C(c1ccc(OC(F)(F)F)cc1Br)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001436545106 1065353899 /nfs/dbraw/zinc/35/38/99/1065353899.db2.gz AXICLMJUNSRITB-UHFFFAOYSA-N 0 0 452.230 4.689 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC1CCCCC1 ZINC001360454962 1065354020 /nfs/dbraw/zinc/35/40/20/1065354020.db2.gz WCUHRYYRXXIYDU-INIZCTEOSA-N 0 0 486.414 4.947 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CCc3c(F)ccc(Br)c3C2)co1 ZINC001436546868 1065354376 /nfs/dbraw/zinc/35/43/76/1065354376.db2.gz QWUAUXWRMRVVQZ-QPJJXVBHSA-N 0 0 450.304 4.735 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1C ZINC001436547631 1065354391 /nfs/dbraw/zinc/35/43/91/1065354391.db2.gz FCAYRKFRQXIIJM-OAHLLOKOSA-N 0 0 451.350 4.810 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC1CCCCC1 ZINC001360455117 1065354590 /nfs/dbraw/zinc/35/45/90/1065354590.db2.gz ZLBYDFJHQCPYBQ-OAHLLOKOSA-N 0 0 489.418 4.665 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)[C@@H]1c1cccc(C)c1 ZINC001436548276 1065354887 /nfs/dbraw/zinc/35/48/87/1065354887.db2.gz HEOKFTVJNKTKEY-GJZUVCINSA-N 0 0 459.546 4.622 20 0 JJADRN Cc1cccc2c1CC(C)(C)N(C(=O)c1nn(-c3ccccc3C(F)(F)F)c(C)cc1=O)C2 ZINC001436547930 1065355032 /nfs/dbraw/zinc/35/50/32/1065355032.db2.gz HFEFIQROALIMHT-UHFFFAOYSA-N 0 0 455.480 4.845 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C)c(F)cc1C(=O)NCC(F)(F)F ZINC001436548773 1065355525 /nfs/dbraw/zinc/35/55/25/1065355525.db2.gz IERJEVIAFHEGOW-UHFFFAOYSA-N 0 0 455.433 4.632 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC001436549312 1065355667 /nfs/dbraw/zinc/35/56/67/1065355667.db2.gz MWHOWBFOOUPMPS-QGZVFWFLSA-N 0 0 451.386 4.776 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCCCC1 ZINC001360456497 1065355677 /nfs/dbraw/zinc/35/56/77/1065355677.db2.gz PVIRHNCPFNCBJB-QGZVFWFLSA-N 0 0 486.414 4.901 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360456081 1065355763 /nfs/dbraw/zinc/35/57/63/1065355763.db2.gz HPLHXGWZUIGJQG-QGZVFWFLSA-N 0 0 475.553 4.921 20 0 JJADRN COC(=O)/C=C/c1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)o1 ZINC001436549723 1065356153 /nfs/dbraw/zinc/35/61/53/1065356153.db2.gz NRCVISDWCFGPBC-YBHKSSGVSA-N 0 0 450.466 4.657 20 0 JJADRN C[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(N2CCCCC2=O)cc1 ZINC001436549994 1065356243 /nfs/dbraw/zinc/35/62/43/1065356243.db2.gz PRHQMQXIJPHUPM-INIZCTEOSA-N 0 0 456.468 4.899 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3cc(C)c(F)cc3C(=O)N[C@@H](C)c3ccccc3)nn2)cc1 ZINC001436549787 1065356272 /nfs/dbraw/zinc/35/62/72/1065356272.db2.gz OJBSZMLTYXGWFV-SFHVURJKSA-N 0 0 457.509 4.767 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3cc(C)c(F)cc3C(=O)N[C@H](C)c3ccccc3)nn2)cc1 ZINC001436549784 1065356331 /nfs/dbraw/zinc/35/63/31/1065356331.db2.gz OJBSZMLTYXGWFV-GOSISDBHSA-N 0 0 457.509 4.767 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)C1CC1 ZINC001360456867 1065356375 /nfs/dbraw/zinc/35/63/75/1065356375.db2.gz WOMHUFJZQLHLNU-ZSEKCTLFSA-N 0 0 463.351 4.798 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(Br)c(C3CC3)n2)c1 ZINC001436552644 1065357428 /nfs/dbraw/zinc/35/74/28/1065357428.db2.gz WCAFNLCFVYQZHP-UHFFFAOYSA-N 0 0 457.109 4.887 20 0 JJADRN Cc1cc([C@@H](CC(=O)N(C)c2cnc3ccccc3n2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436551805 1065357539 /nfs/dbraw/zinc/35/75/39/1065357539.db2.gz XLGLDQJYWCMYPE-GOSISDBHSA-N 0 0 455.946 4.606 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCCO2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360458329 1065357486 /nfs/dbraw/zinc/35/74/86/1065357486.db2.gz HRXFLLLUXKOUNC-DOTOQJQBSA-N 0 0 465.476 4.803 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCOC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001360458491 1065358404 /nfs/dbraw/zinc/35/84/04/1065358404.db2.gz KFQYHXZNZXPDJU-IRXDYDNUSA-N 0 0 478.519 4.879 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360458561 1065358439 /nfs/dbraw/zinc/35/84/39/1065358439.db2.gz LESDKYOUKKSRPM-UONOGXRCSA-N 0 0 455.506 4.681 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Br ZINC001436554499 1065358614 /nfs/dbraw/zinc/35/86/14/1065358614.db2.gz HVWUPRDGQWRHHB-FQEVSTJZSA-N 0 0 457.412 4.747 20 0 JJADRN CCn1ncc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)c1-c1ccccc1 ZINC001436555208 1065359111 /nfs/dbraw/zinc/35/91/11/1065359111.db2.gz YNXGJFUQBPOORJ-UHFFFAOYSA-N 0 0 459.481 4.508 20 0 JJADRN CS(C)(=O)=NC(=O)c1ccc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001436554542 1065359158 /nfs/dbraw/zinc/35/91/58/1065359158.db2.gz XBAIIAVUEFDZER-UHFFFAOYSA-N 0 0 458.486 4.664 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001436554607 1065359220 /nfs/dbraw/zinc/35/92/20/1065359220.db2.gz TWOGWGATGXGLMQ-OAQYLSRUSA-N 0 0 455.848 4.570 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360459034 1065360411 /nfs/dbraw/zinc/36/04/11/1065360411.db2.gz SEDBBBOXTLNLCO-UYAOXDASSA-N 0 0 461.532 4.738 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C)c1OC ZINC001436557689 1065361113 /nfs/dbraw/zinc/36/11/13/1065361113.db2.gz DJOBHUSWNFDUQR-IBGZPJMESA-N 0 0 456.546 4.810 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCOCC1CC1 ZINC001360459590 1065361654 /nfs/dbraw/zinc/36/16/54/1065361654.db2.gz XHFSIQWSNCXSII-IBGZPJMESA-N 0 0 487.645 5.000 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(OC)c1 ZINC001436560330 1065362530 /nfs/dbraw/zinc/36/25/30/1065362530.db2.gz FGUCNQQQZCPPNK-DEOSSOPVSA-N 0 0 456.926 4.531 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360460545 1065362724 /nfs/dbraw/zinc/36/27/24/1065362724.db2.gz BTTIUSYXHJVKJS-WTGUMLROSA-N 0 0 473.618 4.692 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001360460628 1065363323 /nfs/dbraw/zinc/36/33/23/1065363323.db2.gz DMQJHMDXIPECDS-MAUKXSAKSA-N 0 0 499.015 4.736 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(F)cc2)n1CC(F)(F)Br ZINC001360460611 1065363361 /nfs/dbraw/zinc/36/33/61/1065363361.db2.gz DGISESOHUIGMSY-GFCCVEGCSA-N 0 0 459.266 4.774 20 0 JJADRN COc1cnc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(Br)c1 ZINC001436562158 1065363814 /nfs/dbraw/zinc/36/38/14/1065363814.db2.gz PGSMUUMZJCMKML-INIZCTEOSA-N 0 0 456.381 4.655 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCOCC1(C)C ZINC001360460788 1065363968 /nfs/dbraw/zinc/36/39/68/1065363968.db2.gz HJKUMGCZHHRHNA-QGZVFWFLSA-N 0 0 491.608 4.916 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC001436562228 1065363941 /nfs/dbraw/zinc/36/39/41/1065363941.db2.gz BQFMDFRYEZIZLH-HDICACEKSA-N 0 0 459.512 4.567 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001360460846 1065364033 /nfs/dbraw/zinc/36/40/33/1065364033.db2.gz IECYPACRDYZKFP-VOIUYBSRSA-N 0 0 497.024 4.745 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001360460733 1065364138 /nfs/dbraw/zinc/36/41/38/1065364138.db2.gz GNXGDCSLNNQHFF-DNVCBOLYSA-N 0 0 450.461 4.909 20 0 JJADRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001436563129 1065364521 /nfs/dbraw/zinc/36/45/21/1065364521.db2.gz OTFYCMCHLIFSSH-UHFFFAOYSA-N 0 0 459.917 4.761 20 0 JJADRN COc1cnc(NC(=O)c2cc(Br)c(Cl)cc2OC)c(Br)c1 ZINC001436562447 1065364735 /nfs/dbraw/zinc/36/47/35/1065364735.db2.gz PWWHTCCSJOKTCA-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN COCCCOc1cccc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)c1 ZINC001436563879 1065365302 /nfs/dbraw/zinc/36/53/02/1065365302.db2.gz JGVGZUOYRZIPSC-QZTJIDSGSA-N 0 0 450.501 4.860 20 0 JJADRN C[C@H](CC(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C)NC(=O)C1CCCCC1 ZINC001436563486 1065365394 /nfs/dbraw/zinc/36/53/94/1065365394.db2.gz HZBXDVLHIFPWLH-KURKYZTESA-N 0 0 453.549 4.606 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c2ccccc21 ZINC001436564421 1065365867 /nfs/dbraw/zinc/36/58/67/1065365867.db2.gz BCTHONYGWBSVER-LSDHHAIUSA-N 0 0 455.327 4.972 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c2ccccc21 ZINC001436564419 1065365877 /nfs/dbraw/zinc/36/58/77/1065365877.db2.gz BCTHONYGWBSVER-GJZGRUSLSA-N 0 0 455.327 4.972 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360461188 1065365838 /nfs/dbraw/zinc/36/58/38/1065365838.db2.gz OZETXBMYTVUKMW-CQSZACIVSA-N 0 0 487.511 4.646 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360461200 1065366015 /nfs/dbraw/zinc/36/60/15/1065366015.db2.gz PFVCZOYSZDOTSS-OAHLLOKOSA-N 0 0 470.574 4.984 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360461326 1065366504 /nfs/dbraw/zinc/36/65/04/1065366504.db2.gz SJTUUXKXXIIAOX-LMMKCTJWSA-N 0 0 491.658 4.593 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCSC1 ZINC001360461295 1065366516 /nfs/dbraw/zinc/36/65/16/1065366516.db2.gz RSJNXRKGQQQSGC-SGTLLEGYSA-N 0 0 485.498 4.896 20 0 JJADRN CCOc1ccc(Br)c(C(=O)O[C@@H]2CCc3cc(Br)cnc32)c1F ZINC001436566337 1065367276 /nfs/dbraw/zinc/36/72/76/1065367276.db2.gz GLWBQCZZBHJFPI-CYBMUJFWSA-N 0 0 459.109 4.989 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C ZINC001360461491 1065367709 /nfs/dbraw/zinc/36/77/09/1065367709.db2.gz WBDBOZFJBHHFEQ-RQRDFJDXSA-N 0 0 493.674 4.688 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(F)(F)CO1 ZINC001360461506 1065367949 /nfs/dbraw/zinc/36/79/49/1065367949.db2.gz WJIRMTDGCBMHDF-DGCLKSJQSA-N 0 0 472.359 4.719 20 0 JJADRN CCOc1cc(C(=O)O[C@@H]2CCc3cc(Br)cnc32)cc(OCC)c1OCC ZINC001436567205 1065368366 /nfs/dbraw/zinc/36/83/66/1065368366.db2.gz KGLOBGOPWLYEIK-MRXNPFEDSA-N 0 0 450.329 4.885 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2cccc(Cl)c2OCC(F)F)c1-c1ccc(F)cc1 ZINC001436566952 1065368379 /nfs/dbraw/zinc/36/83/79/1065368379.db2.gz VVPOEMPCZVVXRH-UHFFFAOYSA-N 0 0 456.873 4.960 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001360461778 1065369790 /nfs/dbraw/zinc/36/97/90/1065369790.db2.gz BKOROHJYQFCSID-YJBOKZPZSA-N 0 0 459.616 4.561 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C(F)(F)F ZINC001360462045 1065370359 /nfs/dbraw/zinc/37/03/59/1065370359.db2.gz DVZMRTSKAMWEBA-RDJZCZTQSA-N 0 0 498.596 4.701 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccccc1OC(F)F ZINC001360462512 1065370450 /nfs/dbraw/zinc/37/04/50/1065370450.db2.gz JJNOCEPLGQVQFI-OAHLLOKOSA-N 0 0 458.538 4.782 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C(F)(F)F ZINC001360462044 1065370470 /nfs/dbraw/zinc/37/04/70/1065370470.db2.gz DVZMRTSKAMWEBA-NVXWUHKLSA-N 0 0 498.596 4.701 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360462530 1065370561 /nfs/dbraw/zinc/37/05/61/1065370561.db2.gz JQDSGFFZOWLMIP-HOTGVXAUSA-N 0 0 485.601 4.591 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccccc1Cl ZINC001360462786 1065371268 /nfs/dbraw/zinc/37/12/68/1065371268.db2.gz MWBIASHBPVLLSY-NYHFZMIOSA-N 0 0 454.987 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCC1(c2ccccc2Br)CCC1 ZINC001436569917 1065371402 /nfs/dbraw/zinc/37/14/02/1065371402.db2.gz UGZWHORNFUOQBI-KRWDZBQOSA-N 0 0 451.405 4.633 20 0 JJADRN O=C(Cc1ccc(C(F)(F)F)cc1)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001436570478 1065371728 /nfs/dbraw/zinc/37/17/28/1065371728.db2.gz GMZBXIYDXRSAHE-UHFFFAOYSA-N 0 0 457.290 4.865 20 0 JJADRN O=C(CCCOc1ccccc1F)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001436570454 1065371759 /nfs/dbraw/zinc/37/17/59/1065371759.db2.gz FUDCQQHRRAVFFP-UHFFFAOYSA-N 0 0 451.336 4.602 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001436571791 1065371844 /nfs/dbraw/zinc/37/18/44/1065371844.db2.gz CEMHWKRWFRCUHW-ZWKOTPCHSA-N 0 0 459.587 4.810 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)c1F ZINC001436572378 1065372507 /nfs/dbraw/zinc/37/25/07/1065372507.db2.gz CAXPVYIGMCFYHI-UHFFFAOYSA-N 0 0 455.280 4.695 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001360463505 1065372659 /nfs/dbraw/zinc/37/26/59/1065372659.db2.gz ONDNWVFWIRUNEJ-HNNXBMFYSA-N 0 0 459.237 4.605 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001360463664 1065372746 /nfs/dbraw/zinc/37/27/46/1065372746.db2.gz VWVRCHJLRNRILX-QGZVFWFLSA-N 0 0 456.616 4.904 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC001436574176 1065373293 /nfs/dbraw/zinc/37/32/93/1065373293.db2.gz HULXVJHLVBZBJA-AVRDEDQJSA-N 0 0 457.592 4.733 20 0 JJADRN CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001360464264 1065373726 /nfs/dbraw/zinc/37/37/26/1065373726.db2.gz ABULGWUZSIOCCD-OTWHNJEPSA-N 0 0 458.590 4.855 20 0 JJADRN O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)c1csc(I)n1 ZINC001436573843 1065373698 /nfs/dbraw/zinc/37/36/98/1065373698.db2.gz OPDDAAVQHATAII-LBPRGKRZSA-N 0 0 453.132 4.936 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC001436574179 1065373778 /nfs/dbraw/zinc/37/37/78/1065373778.db2.gz HULXVJHLVBZBJA-XMSQKQJNSA-N 0 0 457.592 4.733 20 0 JJADRN CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001360464263 1065374010 /nfs/dbraw/zinc/37/40/10/1065374010.db2.gz ABULGWUZSIOCCD-IPMKNSEASA-N 0 0 458.590 4.855 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)NCc1cccc3c1CCCN3C(=O)OC(C)(C)C)C2 ZINC001436575754 1065375082 /nfs/dbraw/zinc/37/50/82/1065375082.db2.gz XMCHSJIYVCIINX-FQEVSTJZSA-N 0 0 450.579 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC001436575605 1065375238 /nfs/dbraw/zinc/37/52/38/1065375238.db2.gz WULKFZSRTLNBLZ-UHFFFAOYSA-N 0 0 459.546 4.748 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 ZINC001360465855 1065375385 /nfs/dbraw/zinc/37/53/85/1065375385.db2.gz BZQJQLCDYPJPOW-SFHVURJKSA-N 0 0 490.073 4.880 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC(F)(F)F ZINC001360465973 1065375828 /nfs/dbraw/zinc/37/58/28/1065375828.db2.gz FHNHTLMUZAIACQ-YOEHRIQHSA-N 0 0 468.501 4.976 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CCOc2ccccc2)n1CCn1cc(Cl)cn1 ZINC001360466056 1065375915 /nfs/dbraw/zinc/37/59/15/1065375915.db2.gz HFAFUTKYRVNNDO-KRWDZBQOSA-N 0 0 457.003 4.709 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC001436576530 1065376305 /nfs/dbraw/zinc/37/63/05/1065376305.db2.gz RGPLCDCGNVAVMJ-SFHVURJKSA-N 0 0 456.608 4.657 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(COc2ccccc2F)n1CC1([S@](C)=O)CCC1 ZINC001360466131 1065376645 /nfs/dbraw/zinc/37/66/45/1065376645.db2.gz ISIYEGQOBFOMJK-MKTHODDLSA-N 0 0 462.616 4.556 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001436576951 1065376990 /nfs/dbraw/zinc/37/69/90/1065376990.db2.gz ZDLSHKGEWXQANQ-OAHLLOKOSA-N 0 0 459.518 4.639 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccccc2F)n1CC1([S@](C)=O)CCC1 ZINC001360466133 1065377358 /nfs/dbraw/zinc/37/73/58/1065377358.db2.gz ISIYEGQOBFOMJK-ZYSBOAIWSA-N 0 0 462.616 4.556 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C ZINC001360466311 1065377401 /nfs/dbraw/zinc/37/74/01/1065377401.db2.gz KMXILBUKVCVNJE-ZWKOTPCHSA-N 0 0 493.674 4.661 20 0 JJADRN C[C@@H](c1nccs1)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCCCO)CC1 ZINC001360466368 1065378277 /nfs/dbraw/zinc/37/82/77/1065378277.db2.gz CEQBAVXUDLUVJI-KRWDZBQOSA-N 0 0 493.052 4.630 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001436579364 1065378393 /nfs/dbraw/zinc/37/83/93/1065378393.db2.gz VCHXVNKYVKKHME-SANMLTNESA-N 0 0 454.526 4.624 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC001436580079 1065378582 /nfs/dbraw/zinc/37/85/82/1065378582.db2.gz OSYABYGRMQKPSB-VQTJNVASSA-N 0 0 457.368 4.731 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1nc(C)no1)NC(=O)OC(C)(C)C ZINC001436579664 1065378727 /nfs/dbraw/zinc/37/87/27/1065378727.db2.gz AZUKQAMGYRBYAJ-OAQYLSRUSA-N 0 0 450.539 4.603 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1c(F)ccc(Br)c1F ZINC001436580157 1065378756 /nfs/dbraw/zinc/37/87/56/1065378756.db2.gz PORVXGACJNMVGF-CQSZACIVSA-N 0 0 459.331 4.781 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H]1[C@@H]1CCCO1 ZINC001436580069 1065378771 /nfs/dbraw/zinc/37/87/71/1065378771.db2.gz OSYABYGRMQKPSB-PMACEKPBSA-N 0 0 457.368 4.731 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@@H]1C ZINC001360466474 1065378874 /nfs/dbraw/zinc/37/88/74/1065378874.db2.gz 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O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)N1CCCC[C@@H]1COC(=O)NC1CC1 ZINC001436594869 1065389390 /nfs/dbraw/zinc/38/93/90/1065389390.db2.gz ANDSQMDMYGFVCJ-JOCHJYFZSA-N 0 0 456.970 4.731 20 0 JJADRN COc1cc(F)c(F)cc1NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC001436595587 1065390206 /nfs/dbraw/zinc/39/02/06/1065390206.db2.gz FAUIERIUYGCKEE-UHFFFAOYSA-N 0 0 455.486 4.749 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCOc3c(Cl)cc(Br)cc32)c(C)n1 ZINC001436597563 1065390664 /nfs/dbraw/zinc/39/06/64/1065390664.db2.gz KQDUAPZPPLNDQD-NSHDSACASA-N 0 0 452.780 4.991 20 0 JJADRN COc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1C ZINC001436596567 1065390854 /nfs/dbraw/zinc/39/08/54/1065390854.db2.gz MATUAYZAQXATQW-QGZVFWFLSA-N 0 0 451.748 4.663 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCOc4c(Cl)cc(Br)cc43)c2)cn1 ZINC001436598593 1065391460 /nfs/dbraw/zinc/39/14/60/1065391460.db2.gz NCIULPRQHGARHN-UHFFFAOYSA-N 0 0 450.695 4.681 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001436597758 1065391536 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KKNRPGRKIYWYMC-RTWAWAEBSA-N 0 0 454.368 4.953 20 0 JJADRN Cc1cccn(Cc2c(F)cccc2NC(=O)c2cnc(-c3c(F)cccc3F)s2)c1=O ZINC001436601054 1065394053 /nfs/dbraw/zinc/39/40/53/1065394053.db2.gz QTNCLIQBSIWGDW-UHFFFAOYSA-N 0 0 455.461 4.998 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2=O)cc1 ZINC001360475189 1065393978 /nfs/dbraw/zinc/39/39/78/1065393978.db2.gz GRLXBDLUASNUJU-NRFANRHFSA-N 0 0 451.636 4.882 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001436602208 1065394781 /nfs/dbraw/zinc/39/47/81/1065394781.db2.gz WETUMMHWTKNZGF-QGZVFWFLSA-N 0 0 455.418 4.591 20 0 JJADRN O=C(Nc1cc(Cl)cc(Br)c1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC001436603699 1065395394 /nfs/dbraw/zinc/39/53/94/1065395394.db2.gz LLQLBCRQXNFOPP-UHFFFAOYSA-N 0 0 457.777 4.529 20 0 JJADRN Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001436605582 1065395838 /nfs/dbraw/zinc/39/58/38/1065395838.db2.gz OSXUFCKCLXDIDO-BTYIYWSLSA-N 0 0 458.345 4.960 20 0 JJADRN CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608608 1065396680 /nfs/dbraw/zinc/39/66/80/1065396680.db2.gz HZGMMXUCLXIUOH-RXFWQSSRSA-N 0 0 459.631 4.773 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(C)c4)cc3F)CC2)s1 ZINC001436609317 1065396948 /nfs/dbraw/zinc/39/69/48/1065396948.db2.gz HIIXLYHSPOOHDG-UHFFFAOYSA-N 0 0 452.551 4.920 20 0 JJADRN O=C(NCCOCC1CCCC1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001436609558 1065397590 /nfs/dbraw/zinc/39/75/90/1065397590.db2.gz JJUDRLCDYWGUHA-UHFFFAOYSA-N 0 0 454.368 4.996 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1 ZINC001436611493 1065397705 /nfs/dbraw/zinc/39/77/05/1065397705.db2.gz JHQAFPGDTPQIOX-GOSISDBHSA-N 0 0 457.505 4.625 20 0 JJADRN CC(C)CN(Cc1cnn(C)c1)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001436612320 1065397737 /nfs/dbraw/zinc/39/77/37/1065397737.db2.gz RDUUHFYDDLIMND-UHFFFAOYSA-N 0 0 454.615 4.672 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC2(C3CCC3)CCC2)c1 ZINC001436612882 1065398203 /nfs/dbraw/zinc/39/82/03/1065398203.db2.gz WNFKTJMUMGJOBK-UHFFFAOYSA-N 0 0 456.608 4.529 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)C2)c1 ZINC001360480032 1065398226 /nfs/dbraw/zinc/39/82/26/1065398226.db2.gz LZPPPJBXCYGHGE-KTBRYMIGSA-N 0 0 454.636 4.842 20 0 JJADRN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001436613427 1065398283 /nfs/dbraw/zinc/39/82/83/1065398283.db2.gz XXRKQELMYOHXSK-QFIPXVFZSA-N 0 0 454.615 4.663 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)NCCc2ccc(C)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001436613755 1065398310 /nfs/dbraw/zinc/39/83/10/1065398310.db2.gz RUAUJSFQJCWPAG-IGKIAQTJSA-N 0 0 457.574 4.550 20 0 JJADRN C[C@@H](NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)C(=O)NCCc1ccccc1 ZINC001436614792 1065398318 /nfs/dbraw/zinc/39/83/18/1065398318.db2.gz ZZVRXQGBYKOKOC-UZUQRXQVSA-N 0 0 454.542 4.662 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436616542 1065399130 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WTEUUKLWBVKBHR-HXUWFJFHSA-N 0 0 459.974 4.956 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(Br)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360483120 1065402957 /nfs/dbraw/zinc/40/29/57/1065402957.db2.gz RTRHGTGVJXJCPE-XNRPHZJLSA-N 0 0 488.352 4.701 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(Br)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360483119 1065403087 /nfs/dbraw/zinc/40/30/87/1065403087.db2.gz RTRHGTGVJXJCPE-IVMMDQJWSA-N 0 0 488.352 4.701 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)COC/C=C/c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001436626427 1065403761 /nfs/dbraw/zinc/40/37/61/1065403761.db2.gz CHJMIAGWQKYVTJ-FWPJBHJGSA-N 0 0 468.569 4.765 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436627045 1065404700 /nfs/dbraw/zinc/40/47/00/1065404700.db2.gz JIVONRZCYPOMMS-QOEFQVSFSA-N 0 0 478.511 4.781 20 0 JJADRN Cn1nc(C(F)(F)F)cc1C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001436627516 1065404861 /nfs/dbraw/zinc/40/48/61/1065404861.db2.gz PEIIYWXTPUJEFR-UHFFFAOYSA-N 0 0 452.477 4.806 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)[C@@H](OC)c3ccc(Cl)cc3)cc2)c1C ZINC001360484241 1065404912 /nfs/dbraw/zinc/40/49/12/1065404912.db2.gz PVPKRABIVFICFW-OYHNWAKOSA-N 0 0 455.942 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001436627833 1065405510 /nfs/dbraw/zinc/40/55/10/1065405510.db2.gz CQFVJHJRQWVIHP-OFNKIYASSA-N 0 0 450.583 4.785 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 ZINC001436628127 1065405559 /nfs/dbraw/zinc/40/55/59/1065405559.db2.gz FICTXEYZZKDHCG-SIKLNZKXSA-N 0 0 453.583 4.885 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CC[C@H]1c1ccc(F)cc1 ZINC001436628388 1065406568 /nfs/dbraw/zinc/40/65/68/1065406568.db2.gz WBNLIGRIEJGZRI-PGRDOPGGSA-N 0 0 465.525 4.603 20 0 JJADRN CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CSC ZINC001360488482 1065407166 /nfs/dbraw/zinc/40/71/66/1065407166.db2.gz HNXPMYQSPWGBNM-ZHRRBRCNSA-N 0 0 458.649 4.515 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2c1O[C@H](C)C2 ZINC001436630009 1065407198 /nfs/dbraw/zinc/40/71/98/1065407198.db2.gz WQRGXQVTTURXSY-DBXWQHBBSA-N 0 0 458.599 4.660 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1C1CC(C(C)(C)C)C1 ZINC001360487456 1065407317 /nfs/dbraw/zinc/40/73/17/1065407317.db2.gz YIMYNOGCJMNUOC-OPFPJEHXSA-N 0 0 466.399 4.544 20 0 JJADRN CCCN(C(=O)CCOc1cccc(I)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001360488750 1065407988 /nfs/dbraw/zinc/40/79/88/1065407988.db2.gz MBJNYTJUTODXIO-ZWKOTPCHSA-N 0 0 459.368 4.502 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001360488894 1065408138 /nfs/dbraw/zinc/40/81/38/1065408138.db2.gz BHVOPGFCJVUVPR-UHFFFAOYSA-N 0 0 452.557 4.867 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)nc1 ZINC001360491654 1065408734 /nfs/dbraw/zinc/40/87/34/1065408734.db2.gz IQMACFWCTVPIAE-UHFFFAOYSA-N 0 0 452.486 4.614 20 0 JJADRN CCc1nc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)nn1-c1ccccc1Cl ZINC001360492072 1065409701 /nfs/dbraw/zinc/40/97/01/1065409701.db2.gz XGBGYPKLAPGZAB-UHFFFAOYSA-N 0 0 451.889 4.740 20 0 JJADRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc(Br)c2nccnc2c1 ZINC001360491815 1065409766 /nfs/dbraw/zinc/40/97/66/1065409766.db2.gz PVHCJHUCFISPEY-UHFFFAOYSA-N 0 0 453.271 4.649 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(F)c(I)c(F)c1 ZINC001360491952 1065409831 /nfs/dbraw/zinc/40/98/31/1065409831.db2.gz WJYRNOTWZGIAFP-AXAPSJFSSA-N 0 0 451.295 4.985 20 0 JJADRN Cc1cc(Br)c(COC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1Cl ZINC001436634295 1065409765 /nfs/dbraw/zinc/40/97/65/1065409765.db2.gz MJPMPWHJWBQZMM-MRXNPFEDSA-N 0 0 459.789 4.673 20 0 JJADRN COCCNC(=O)CSc1ccccc1C(=O)OCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001436634461 1065409800 /nfs/dbraw/zinc/40/98/00/1065409800.db2.gz MSAGQMWPFRZCSN-OAHLLOKOSA-N 0 0 455.498 4.564 20 0 JJADRN Cc1cc(Br)c(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1Cl ZINC001436637133 1065410553 /nfs/dbraw/zinc/41/05/53/1065410553.db2.gz YMUCQJSHGRNWJC-UHFFFAOYSA-N 0 0 452.153 4.825 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)c(I)c2)ccc1OC1CCOCC1 ZINC001360493948 1065410493 /nfs/dbraw/zinc/41/04/93/1065410493.db2.gz LOSYTBNADNCCMH-UHFFFAOYSA-N 0 0 455.267 4.549 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1F ZINC001360494060 1065411320 /nfs/dbraw/zinc/41/13/20/1065411320.db2.gz PHCKMEOVERLANH-LJQANCHMSA-N 0 0 456.942 4.674 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCCc2cc(C)cc(Br)c21)c1ccc(F)cc1F ZINC001436638230 1065411463 /nfs/dbraw/zinc/41/14/63/1065411463.db2.gz PBCHBDBHFLRYJB-IBGZPJMESA-N 0 0 451.311 4.582 20 0 JJADRN C[C@H](C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001360496155 1065412122 /nfs/dbraw/zinc/41/21/22/1065412122.db2.gz JGEXTXUUPFCRIN-AQNXPRMDSA-N 0 0 450.579 4.877 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360496273 1065412242 /nfs/dbraw/zinc/41/22/42/1065412242.db2.gz KWWZMBSDBFTYTJ-PKMDAXGDSA-N 0 0 453.583 4.893 20 0 JJADRN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001436640694 1065412262 /nfs/dbraw/zinc/41/22/62/1065412262.db2.gz MVVBMDTZZBKQQW-XHBSWPGZSA-N 0 0 472.754 4.811 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnccn2)n1C[C@@H](C)Cc1cccs1 ZINC001360496926 1065413043 /nfs/dbraw/zinc/41/30/43/1065413043.db2.gz CLFISVHQXOJSML-ZWKOTPCHSA-N 0 0 466.586 4.924 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC001360497022 1065413071 /nfs/dbraw/zinc/41/30/71/1065413071.db2.gz UTOUMVYHOSVOIS-ACJLOTCBSA-N 0 0 453.345 4.619 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001360497148 1065414064 /nfs/dbraw/zinc/41/40/64/1065414064.db2.gz VZODUYRSJXVCJA-HZPDHXFCSA-N 0 0 458.580 4.656 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)c(C)cc2Cl)cc1 ZINC001436644587 1065414825 /nfs/dbraw/zinc/41/48/25/1065414825.db2.gz GZRKOJRGBVWYRN-LBPRGKRZSA-N 0 0 459.793 4.740 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F ZINC001360497750 1065415706 /nfs/dbraw/zinc/41/57/06/1065415706.db2.gz LCJPYMKPWZZILR-GFCCVEGCSA-N 0 0 476.366 4.985 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccsc1 ZINC001360497956 1065415750 /nfs/dbraw/zinc/41/57/50/1065415750.db2.gz MPFZBYQFTQDQBU-INIZCTEOSA-N 0 0 452.609 4.564 20 0 JJADRN CC[C@@H](OC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)c1ccncc1 ZINC001436645738 1065415827 /nfs/dbraw/zinc/41/58/27/1065415827.db2.gz PLXJULMGWPKOJA-CQSZACIVSA-N 0 0 455.234 4.752 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)OCc2cc(Cl)cc(Br)c2)CC1=O ZINC001436646630 1065415838 /nfs/dbraw/zinc/41/58/38/1065415838.db2.gz DUZBXDBQPZSLCA-CQSZACIVSA-N 0 0 452.732 4.598 20 0 JJADRN Cc1nc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc(-c2ccc(F)cc2)n1 ZINC001436647967 1065416323 /nfs/dbraw/zinc/41/63/23/1065416323.db2.gz DYDAMHWTCDWURX-QFIPXVFZSA-N 0 0 450.514 4.871 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)nnc1-c1cccs1 ZINC001436648534 1065416619 /nfs/dbraw/zinc/41/66/19/1065416619.db2.gz YTEVMXXHRLFOKB-UHFFFAOYSA-N 0 0 454.556 4.662 20 0 JJADRN CC(C)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H](C)Cc1cccs1 ZINC001360499073 1065418873 /nfs/dbraw/zinc/41/88/73/1065418873.db2.gz ZLUZAULSPPKLPV-PMACEKPBSA-N 0 0 451.640 4.831 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360499089 1065418928 /nfs/dbraw/zinc/41/89/28/1065418928.db2.gz ACXJQJRTXJLSDS-AZUAARDMSA-N 0 0 489.686 4.606 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360499159 1065419788 /nfs/dbraw/zinc/41/97/88/1065419788.db2.gz BECWDJHDRDWGDO-HNAYVOBHSA-N 0 0 488.455 4.568 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1 ZINC001436667915 1065420895 /nfs/dbraw/zinc/42/08/95/1065420895.db2.gz JTWIRXHQYZQTLF-SUMWQHHRSA-N 0 0 456.564 4.623 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001360500217 1065421507 /nfs/dbraw/zinc/42/15/07/1065421507.db2.gz LAGADUZOKGNMAM-MYGHRHJXSA-N 0 0 453.637 4.587 20 0 JJADRN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001436685541 1065422351 /nfs/dbraw/zinc/42/23/51/1065422351.db2.gz FIMVSTFJBIOCMS-UHFFFAOYSA-N 0 0 456.564 4.910 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1(C)C ZINC001436678909 1065422486 /nfs/dbraw/zinc/42/24/86/1065422486.db2.gz CWJHMOKKKIMHAR-UONOGXRCSA-N 0 0 480.184 4.766 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360500570 1065423110 /nfs/dbraw/zinc/42/31/10/1065423110.db2.gz NVJYDQPDNSXBLG-ZBFHGGJFSA-N 0 0 450.530 4.776 20 0 JJADRN CCCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360500686 1065423119 /nfs/dbraw/zinc/42/31/19/1065423119.db2.gz CHBHWZHOTHWKDR-CLJLJLNGSA-N 0 0 458.537 4.773 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360500578 1065423200 /nfs/dbraw/zinc/42/32/00/1065423200.db2.gz 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CC[C@](CNC(=O)c1c2c(sc1-n1cccc1)CSCC2)(C(=O)OC)c1ccccc1 ZINC001436693635 1065424440 /nfs/dbraw/zinc/42/44/40/1065424440.db2.gz DYLQPTXYQMYIQI-XMMPIXPASA-N 0 0 454.617 4.579 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1 ZINC001360501339 1065425037 /nfs/dbraw/zinc/42/50/37/1065425037.db2.gz RXMMLOSIGSDTEA-RBUKOAKNSA-N 0 0 459.660 4.933 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1 ZINC001360501338 1065425072 /nfs/dbraw/zinc/42/50/72/1065425072.db2.gz RXMMLOSIGSDTEA-OALUTQOASA-N 0 0 459.660 4.933 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)C2)c1 ZINC001436698430 1065425272 /nfs/dbraw/zinc/42/52/72/1065425272.db2.gz MLWWTCWVRNXSJX-RRPUWOKSSA-N 0 0 456.558 4.847 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360501573 1065425764 /nfs/dbraw/zinc/42/57/64/1065425764.db2.gz SPZINVRBBPPPRH-GGPKGHCWSA-N 0 0 473.687 4.910 20 0 JJADRN 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0 0 457.333 4.663 20 0 JJADRN C[C@@H](CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CSCCS1)c1nccs1 ZINC001360530160 1065510572 /nfs/dbraw/zinc/51/05/72/1065510572.db2.gz TXAUZDFGBZKZSI-YJBOKZPZSA-N 0 0 479.672 4.541 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccc(F)c(Cl)c32)cc1 ZINC001437114094 1065510889 /nfs/dbraw/zinc/51/08/89/1065510889.db2.gz WBQCOCPGRCFJDT-UHFFFAOYSA-N 0 0 452.979 4.883 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C)c1nccs1 ZINC001360530455 1065511041 /nfs/dbraw/zinc/51/10/41/1065511041.db2.gz YXDQQNRYYWSNBF-MSOLQXFVSA-N 0 0 492.690 4.862 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)OC(C)(C)C)sc2C)cc1 ZINC001437137479 1065512080 /nfs/dbraw/zinc/51/20/80/1065512080.db2.gz KWNRHOKGCLEJIW-NRFANRHFSA-N 0 0 452.576 4.810 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437140407 1065512667 /nfs/dbraw/zinc/51/26/67/1065512667.db2.gz FPEYMBQUUHCCFN-VXSCBNMQSA-N 0 0 472.626 4.686 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437140330 1065512676 /nfs/dbraw/zinc/51/26/76/1065512676.db2.gz CUHLROOARJGYDO-CWRNSKLLSA-N 0 0 454.405 4.888 20 0 JJADRN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccs1)Oc1ccccc1F ZINC001360531352 1065512833 /nfs/dbraw/zinc/51/28/33/1065512833.db2.gz QJPXINSDPXZPTA-IAGOWNOFSA-N 0 0 480.569 4.791 20 0 JJADRN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437141279 1065513118 /nfs/dbraw/zinc/51/31/18/1065513118.db2.gz ITOVRXSCCVBJKU-NZSAHSFTSA-N 0 0 455.599 4.553 20 0 JJADRN CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001360531413 1065513293 /nfs/dbraw/zinc/51/32/93/1065513293.db2.gz RXGKRAROTHLEAH-VFNWGFHPSA-N 0 0 458.500 4.538 20 0 JJADRN C[C@@H](NC(=O)c1ccc(F)cc1I)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437144843 1065513838 /nfs/dbraw/zinc/51/38/38/1065513838.db2.gz GIJYBOHUGYIYNG-BYCMXARLSA-N 0 0 475.342 4.553 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 ZINC001360532102 1065513914 /nfs/dbraw/zinc/51/39/14/1065513914.db2.gz ZUSPQQXELXSENV-LPHOPBHVSA-N 0 0 473.046 4.747 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC001360532234 1065514057 /nfs/dbraw/zinc/51/40/57/1065514057.db2.gz RLIWMOZAHOZFKW-CQSZACIVSA-N 0 0 458.864 4.655 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001437147712 1065514217 /nfs/dbraw/zinc/51/42/17/1065514217.db2.gz IDNYZZQNWKIIDE-DZGCQCFKSA-N 0 0 456.427 4.846 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437147323 1065514259 /nfs/dbraw/zinc/51/42/59/1065514259.db2.gz KNDIPMPHWZIVDO-YUXAGFNASA-N 0 0 472.626 4.544 20 0 JJADRN C[C@H](NC(=O)Cc1noc2ccc(Br)cc12)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437146398 1065514453 /nfs/dbraw/zinc/51/44/53/1065514453.db2.gz SEPRHRZBLXESEM-VBNZEHGJSA-N 0 0 465.388 4.642 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3C)cc2F)c1 ZINC001360533528 1065514611 /nfs/dbraw/zinc/51/46/11/1065514611.db2.gz CWGVGYBVWPFVSF-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c2cc(OC)ccc21 ZINC001437147994 1065514857 /nfs/dbraw/zinc/51/48/57/1065514857.db2.gz JYDZICQWBVQLEB-QGZVFWFLSA-N 0 0 457.493 4.554 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(F)(F)F ZINC001437153041 1065515600 /nfs/dbraw/zinc/51/56/00/1065515600.db2.gz UNFRCNWUCQDHFF-MRXNPFEDSA-N 0 0 450.885 4.847 20 0 JJADRN COc1ccc(CCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1Br ZINC001437155289 1065515610 /nfs/dbraw/zinc/51/56/10/1065515610.db2.gz VUEGUEQPMSPCCX-HYVNUMGLSA-N 0 0 468.432 4.899 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc2c(c1)NC(=O)CS2 ZINC001360534248 1065515667 /nfs/dbraw/zinc/51/56/67/1065515667.db2.gz PDNMNMSOCZKSSK-UHFFFAOYSA-N 0 0 450.360 4.943 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Nc3c(Cl)cc(NC(C)=O)cc3Cl)CC2=O)cc1 ZINC001437174728 1065515935 /nfs/dbraw/zinc/51/59/35/1065515935.db2.gz VQDPPMHZMFVAAG-GFCCVEGCSA-N 0 0 452.363 4.665 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C(F)(F)F)o1 ZINC001437173256 1065515949 /nfs/dbraw/zinc/51/59/49/1065515949.db2.gz NAWQGFGTJFNDIW-HXUWFJFHSA-N 0 0 451.466 4.904 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)(F)F)c1nccs1 ZINC001360535066 1065516018 /nfs/dbraw/zinc/51/60/18/1065516018.db2.gz KSFXIWPTAUGJOR-JTQLQIEISA-N 0 0 463.327 4.685 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437156278 1065516134 /nfs/dbraw/zinc/51/61/34/1065516134.db2.gz YBUWQNWVCNOZNY-QTPAZIJBSA-N 0 0 464.606 4.701 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1)Oc1ccccc1 ZINC001360535099 1065516238 /nfs/dbraw/zinc/51/62/38/1065516238.db2.gz LDGLHNGAFVSIRJ-CQSZACIVSA-N 0 0 473.400 4.596 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1)c1ccc(F)cc1 ZINC001360535898 1065518033 /nfs/dbraw/zinc/51/80/33/1065518033.db2.gz RZBLFUAGWWFEOC-DLBZAZTESA-N 0 0 490.421 4.852 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C[C@H]1c1ccccc1 ZINC001437191436 1065518489 /nfs/dbraw/zinc/51/84/89/1065518489.db2.gz MZBWEZQOYLOVBV-LOSJGSFVSA-N 0 0 463.961 4.877 20 0 JJADRN Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001437209295 1065519588 /nfs/dbraw/zinc/51/95/88/1065519588.db2.gz GPAPPPPXTPNMON-UHFFFAOYSA-N 0 0 452.465 4.739 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)C1CCC(F)(F)CC1 ZINC001437195252 1065519671 /nfs/dbraw/zinc/51/96/71/1065519671.db2.gz IONRNMBVRLHSQO-MRXNPFEDSA-N 0 0 457.550 4.752 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccc(F)cc1 ZINC001360536522 1065519758 /nfs/dbraw/zinc/51/97/58/1065519758.db2.gz YFCCVVBJUUZRKW-JKSUJKDBSA-N 0 0 492.393 4.505 20 0 JJADRN CC(C)c1cc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)n(Cc2ccccc2)n1 ZINC001437212453 1065519996 /nfs/dbraw/zinc/51/99/96/1065519996.db2.gz IFBSQYDQJBZHCS-UHFFFAOYSA-N 0 0 454.456 4.907 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)ccc1Cl ZINC001437213280 1065520148 /nfs/dbraw/zinc/52/01/48/1065520148.db2.gz FXSZOLBVWLOZCT-HSZRJFAPSA-N 0 0 452.938 4.602 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001437212547 1065520240 /nfs/dbraw/zinc/52/02/40/1065520240.db2.gz NMVSWEFRBSNOCX-UHFFFAOYSA-N 0 0 459.503 4.761 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360537007 1065520686 /nfs/dbraw/zinc/52/06/86/1065520686.db2.gz VRKCLPXAQDGDGE-JKSUJKDBSA-N 0 0 466.051 4.796 20 0 JJADRN O=C(CCc1ccccc1C(F)(F)F)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001437219543 1065521223 /nfs/dbraw/zinc/52/12/23/1065521223.db2.gz IQBOMRJBNCKPOA-UHFFFAOYSA-N 0 0 450.423 4.574 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC001437221288 1065521768 /nfs/dbraw/zinc/52/17/68/1065521768.db2.gz OYRQXYIEJYYSEK-VQIMIIECSA-N 0 0 455.380 4.858 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC001437221282 1065521994 /nfs/dbraw/zinc/52/19/94/1065521994.db2.gz OYRQXYIEJYYSEK-LPHOPBHVSA-N 0 0 455.380 4.858 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001360538040 1065522183 /nfs/dbraw/zinc/52/21/83/1065522183.db2.gz CLLYBCHWKOUJTD-AMDXRBSFSA-N 0 0 450.579 4.802 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC001437224373 1065522288 /nfs/dbraw/zinc/52/22/88/1065522288.db2.gz MGLMWMYVEMIPQZ-GPHNJDIKSA-N 0 0 456.583 4.562 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c(Cl)c1 ZINC001360538049 1065522327 /nfs/dbraw/zinc/52/23/27/1065522327.db2.gz DAUMNUGBPOZGLW-UHFFFAOYSA-N 0 0 456.967 4.987 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001360538071 1065522344 /nfs/dbraw/zinc/52/23/44/1065522344.db2.gz QAQXBJWRMUVAFQ-HKBQPEDESA-N 0 0 454.914 4.620 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545905607 1065522346 /nfs/dbraw/zinc/52/23/46/1065522346.db2.gz FSJPOKSKDGHONK-UFHPHHKVSA-N 0 0 481.685 4.739 20 0 JJADRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001360538324 1065522900 /nfs/dbraw/zinc/52/29/00/1065522900.db2.gz SGJYWQKDCXKZCQ-DYESRHJHSA-N 0 0 454.596 4.577 20 0 JJADRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001360538328 1065522913 /nfs/dbraw/zinc/52/29/13/1065522913.db2.gz SGJYWQKDCXKZCQ-UWJYYQICSA-N 0 0 454.596 4.577 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3-c3ccccc32)ccc1OC ZINC001437227817 1065522944 /nfs/dbraw/zinc/52/29/44/1065522944.db2.gz UYQSUDURWARJAW-UHFFFAOYSA-N 0 0 450.560 4.553 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)c(F)c1 ZINC001437229767 1065523160 /nfs/dbraw/zinc/52/31/60/1065523160.db2.gz ZEUDXZBNIIBJCP-IBGZPJMESA-N 0 0 450.304 4.733 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001437233221 1065523680 /nfs/dbraw/zinc/52/36/80/1065523680.db2.gz QZFQLKGCMJIMCH-UHFFFAOYSA-N 0 0 450.649 4.571 20 0 JJADRN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)cs2)cc1 ZINC001360539171 1065523805 /nfs/dbraw/zinc/52/38/05/1065523805.db2.gz YJFYYXANWMXJLN-UHFFFAOYSA-N 0 0 459.568 4.766 20 0 JJADRN C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCOCC1)N(C)C(=O)OC(C)(C)C ZINC001360540034 1065524412 /nfs/dbraw/zinc/52/44/12/1065524412.db2.gz CTJSGHCWLSGVAN-LJQANCHMSA-N 0 0 471.646 4.725 20 0 JJADRN O=C(c1coc(-c2ccccc2Cl)n1)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001437237398 1065524426 /nfs/dbraw/zinc/52/44/26/1065524426.db2.gz WJDKKBGLWLZYNT-UHFFFAOYSA-N 0 0 455.864 4.545 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)S[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360540433 1065524929 /nfs/dbraw/zinc/52/49/29/1065524929.db2.gz CLLBBCOWYRXTFO-PMPSAXMXSA-N 0 0 461.994 4.930 20 0 JJADRN Cc1c(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cnn1-c1ccc(F)cc1F ZINC001437248254 1065525504 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IWJQAXPBEXEDLT-UHFFFAOYSA-N 0 0 457.353 4.947 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360540965 1065526712 /nfs/dbraw/zinc/52/67/12/1065526712.db2.gz HPBWNYSDYUCSPV-ZBFHGGJFSA-N 0 0 484.979 4.730 20 0 JJADRN O=C(c1cccc(Oc2ccccn2)c1)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001437264039 1065527123 /nfs/dbraw/zinc/52/71/23/1065527123.db2.gz QOLINIPVVRRXJF-UHFFFAOYSA-N 0 0 450.296 4.602 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC(C)(C)C1)N(C)c1ccccc1 ZINC001360541153 1065527502 /nfs/dbraw/zinc/52/75/02/1065527502.db2.gz IJVNYUOIQLPOHR-QGZVFWFLSA-N 0 0 457.047 4.850 20 0 JJADRN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001437271090 1065527769 /nfs/dbraw/zinc/52/77/69/1065527769.db2.gz VVILVGMHRRKDBC-HXUWFJFHSA-N 0 0 454.876 4.687 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCSCC1)N(C)C(=O)OC(C)(C)C ZINC001360541296 1065528001 /nfs/dbraw/zinc/52/80/01/1065528001.db2.gz OBQUSFKJKRAKDC-OAHLLOKOSA-N 0 0 496.475 4.516 20 0 JJADRN 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455.578 4.532 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)[C@@H](C)CO1 ZINC001437339797 1065538768 /nfs/dbraw/zinc/53/87/68/1065538768.db2.gz YZSUBHWRTOVHAU-OXJNMPFZSA-N 0 0 454.368 4.941 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCSC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360547208 1065539207 /nfs/dbraw/zinc/53/92/07/1065539207.db2.gz ZNESQLDYHXYOAK-LJQANCHMSA-N 0 0 486.686 4.852 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)oc1-c1ccc(Br)cc1 ZINC001437343483 1065539391 /nfs/dbraw/zinc/53/93/91/1065539391.db2.gz IZSAXDRAXJQZDE-UXHICEINSA-N 0 0 470.367 4.777 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1C(F)(F)F ZINC001437343612 1065539421 /nfs/dbraw/zinc/53/94/21/1065539421.db2.gz OHYMRVGGSQQJIC-LSTHTHJFSA-N 0 0 479.499 4.703 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001360548440 1065539629 /nfs/dbraw/zinc/53/96/29/1065539629.db2.gz AZNBHWCBACDPFM-GOSISDBHSA-N 0 0 498.603 4.763 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360548472 1065539687 /nfs/dbraw/zinc/53/96/87/1065539687.db2.gz BNZAPUUALNVWOV-FQEVSTJZSA-N 0 0 493.656 4.634 20 0 JJADRN CCn1ccc(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1 ZINC001437350763 1065540440 /nfs/dbraw/zinc/54/04/40/1065540440.db2.gz ZPVPZWOGSULZBJ-UHFFFAOYSA-N 0 0 451.324 4.875 20 0 JJADRN Cc1c(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cnn1-c1ccc(F)cc1 ZINC001437359491 1065541553 /nfs/dbraw/zinc/54/15/53/1065541553.db2.gz DIUWRSLJFXWTKH-OAQYLSRUSA-N 0 0 457.347 4.858 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001437359937 1065541675 /nfs/dbraw/zinc/54/16/75/1065541675.db2.gz BPROBJJSRJXBRU-QFIPXVFZSA-N 0 0 450.348 4.547 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC001360550803 1065542146 /nfs/dbraw/zinc/54/21/46/1065542146.db2.gz ASWIOGWOIAGKAS-FQEVSTJZSA-N 0 0 453.004 4.553 20 0 JJADRN COc1ccc(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)c(I)c1 ZINC001437371156 1065543445 /nfs/dbraw/zinc/54/34/45/1065543445.db2.gz SWOUZJBMZCWMRR-LBPRGKRZSA-N 0 0 455.723 4.755 20 0 JJADRN COc1ccc(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)c(I)c1 ZINC001437371144 1065543504 /nfs/dbraw/zinc/54/35/04/1065543504.db2.gz SWOUZJBMZCWMRR-GFCCVEGCSA-N 0 0 455.723 4.755 20 0 JJADRN CC(C)c1cccc(O[C@@H](C(=O)NCCNC(=O)c2c(F)cccc2F)c2ccccc2)c1 ZINC001360552083 1065543528 /nfs/dbraw/zinc/54/35/28/1065543528.db2.gz IHHUAYJWRHCAOR-XMMPIXPASA-N 0 0 452.501 4.755 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc2sc(Br)cc2s1 ZINC001360552273 1065543576 /nfs/dbraw/zinc/54/35/76/1065543576.db2.gz NZKWHQYLJDJWOB-SNVBAGLBSA-N 0 0 455.786 4.914 20 0 JJADRN Cc1oc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC001360552222 1065543641 /nfs/dbraw/zinc/54/36/41/1065543641.db2.gz MSZCWPDIXKCUDD-QGZVFWFLSA-N 0 0 454.548 4.765 20 0 JJADRN CCCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001437372776 1065543613 /nfs/dbraw/zinc/54/36/13/1065543613.db2.gz XLIMIQRNIVCALU-IFMALSPDSA-N 0 0 457.640 4.970 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001437375429 1065543874 /nfs/dbraw/zinc/54/38/74/1065543874.db2.gz CCQQOWDJIJLVNG-LJQANCHMSA-N 0 0 452.580 4.722 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@H](C)[C@H]3CCNC(=O)OC(C)(C)C)s2)cc1 ZINC001437376216 1065543890 /nfs/dbraw/zinc/54/38/90/1065543890.db2.gz JVWMYDBPORSKPH-QFBILLFUSA-N 0 0 459.612 4.974 20 0 JJADRN C[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC1CCC1)N(C)C(=O)OC(C)(C)C ZINC001360552781 1065544097 /nfs/dbraw/zinc/54/40/97/1065544097.db2.gz AVERZCDYHUOGSX-QGZVFWFLSA-N 0 0 452.603 4.918 20 0 JJADRN C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(F)(F)F)c1nccs1 ZINC001360553523 1065544632 /nfs/dbraw/zinc/54/46/32/1065544632.db2.gz OOGBOYXCMGHFDK-OAHLLOKOSA-N 0 0 461.517 4.780 20 0 JJADRN C[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCSC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360554375 1065545151 /nfs/dbraw/zinc/54/51/51/1065545151.db2.gz WMLKTDBWUYNGMR-IAGOWNOFSA-N 0 0 470.643 4.624 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N(C)CCOc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360554699 1065545242 /nfs/dbraw/zinc/54/52/42/1065545242.db2.gz MLYPNVGFQZIWAG-MRXNPFEDSA-N 0 0 464.010 4.580 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCCC(F)(F)C1 ZINC001437379847 1065545283 /nfs/dbraw/zinc/54/52/83/1065545283.db2.gz OFAHCWSCIPGDOY-UHFFFAOYSA-N 0 0 450.461 4.562 20 0 JJADRN O=C(c1cc(F)c(F)cc1Br)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437380965 1065545403 /nfs/dbraw/zinc/54/54/03/1065545403.db2.gz QVDVUOPHESEJQL-UHFFFAOYSA-N 0 0 450.110 4.997 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360554642 1065545374 /nfs/dbraw/zinc/54/53/74/1065545374.db2.gz LTUYKZAHFDNRPV-ZIFCJYIRSA-N 0 0 473.593 4.502 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001437382253 1065545637 /nfs/dbraw/zinc/54/56/37/1065545637.db2.gz RGJHWQHSBLAVAE-APWZRJJASA-N 0 0 453.421 4.924 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2nc(Br)ccc2Br)c1 ZINC001437388104 1065546753 /nfs/dbraw/zinc/54/67/53/1065546753.db2.gz LKXDVAIQXBGPPP-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001437391245 1065547263 /nfs/dbraw/zinc/54/72/63/1065547263.db2.gz RJRUOTPUPWEMNT-OUDXUNEISA-N 0 0 458.599 4.577 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001437392675 1065547336 /nfs/dbraw/zinc/54/73/36/1065547336.db2.gz XJSKTMBDLDBDDL-HXUWFJFHSA-N 0 0 453.514 4.670 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)N(C)c1ccccc1 ZINC001360558361 1065547519 /nfs/dbraw/zinc/54/75/19/1065547519.db2.gz PFQWPABMGNQOLQ-NFBKMPQASA-N 0 0 482.673 4.906 20 0 JJADRN CC[C@@H]1COC(C)(C)CN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001437410697 1065547864 /nfs/dbraw/zinc/54/78/64/1065547864.db2.gz JAXUURYXVIFPNB-GOSISDBHSA-N 0 0 458.484 4.983 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360558852 1065548154 /nfs/dbraw/zinc/54/81/54/1065548154.db2.gz CXQRAPQBZZCNEM-FQEVSTJZSA-N 0 0 483.657 4.679 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1F)N(C)C(=O)OC(C)(C)C ZINC001360559183 1065548416 /nfs/dbraw/zinc/54/84/16/1065548416.db2.gz GGKUFNQWGYSJBG-XLIONFOSSA-N 0 0 461.582 4.551 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360559080 1065548517 /nfs/dbraw/zinc/54/85/17/1065548517.db2.gz WEWBHPXKLJYWMJ-RBUKOAKNSA-N 0 0 486.636 4.655 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(F)c2)cn1 ZINC001360559196 1065548637 /nfs/dbraw/zinc/54/86/37/1065548637.db2.gz GITPQTIIZBDJBD-XMSQKQJNSA-N 0 0 468.577 4.676 20 0 JJADRN CC(C)c1cccc(NC(=O)COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1 ZINC001437412731 1065548672 /nfs/dbraw/zinc/54/86/72/1065548672.db2.gz OJSJARFYTDGUSW-NRFANRHFSA-N 0 0 458.530 4.739 20 0 JJADRN O=C(NCc1cccc(Oc2ccc(F)cc2)n1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001437418490 1065549006 /nfs/dbraw/zinc/54/90/06/1065549006.db2.gz DYQSHWBGFPNLMP-UHFFFAOYSA-N 0 0 458.280 4.831 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437419171 1065549081 /nfs/dbraw/zinc/54/90/81/1065549081.db2.gz YGZVLIUZEBWYHI-OMACXJQVSA-N 0 0 453.377 4.884 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)cc1 ZINC001437416691 1065549097 /nfs/dbraw/zinc/54/90/97/1065549097.db2.gz PWSBPRCKIUOWTF-FQEVSTJZSA-N 0 0 457.615 4.515 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)s1 ZINC001437419080 1065549217 /nfs/dbraw/zinc/54/92/17/1065549217.db2.gz XSSYDFJPRBONSB-INIZCTEOSA-N 0 0 457.434 4.800 20 0 JJADRN O=C([C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1CCS[C@@H](c2ccccc2)C1 ZINC001437420014 1065549623 /nfs/dbraw/zinc/54/96/23/1065549623.db2.gz AQKIGYFHHGRIBM-RTWAWAEBSA-N 0 0 451.419 4.683 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360559848 1065549668 /nfs/dbraw/zinc/54/96/68/1065549668.db2.gz NXCULYLQMTWGAX-IAGOWNOFSA-N 0 0 469.527 4.615 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CCS[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC001437420793 1065549722 /nfs/dbraw/zinc/54/97/22/1065549722.db2.gz FOTPHDAVBAFJMA-JBRSBNLGSA-N 0 0 452.620 4.702 20 0 JJADRN CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2C[C@H](C)Sc2ccccc2)C1 ZINC001360560330 1065550190 /nfs/dbraw/zinc/55/01/90/1065550190.db2.gz VCXSSRPSBGWSMP-FPOVZHCZSA-N 0 0 455.672 4.858 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)Oc1cccc(F)c1 ZINC001360560130 1065550244 /nfs/dbraw/zinc/55/02/44/1065550244.db2.gz RIVWSGYGGUUIRM-QGZVFWFLSA-N 0 0 469.527 4.617 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)c2)cc1 ZINC001437421627 1065550213 /nfs/dbraw/zinc/55/02/13/1065550213.db2.gz IJOYAHXJIAKHHP-CUNXSJBXSA-N 0 0 464.610 4.582 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001437421803 1065550285 /nfs/dbraw/zinc/55/02/85/1065550285.db2.gz HTJFMGBOGYPFTK-HNNXBMFYSA-N 0 0 456.391 4.643 20 0 JJADRN CCC(CC)(C(=O)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1)c1ccc(OC)c(OC)c1 ZINC001437420926 1065550342 /nfs/dbraw/zinc/55/03/42/1065550342.db2.gz PGESQYLMSHKWKC-PXNSSMCTSA-N 0 0 455.599 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC001437423327 1065550657 /nfs/dbraw/zinc/55/06/57/1065550657.db2.gz PUWYBCIACDDTMU-VXKWHMMOSA-N 0 0 454.592 4.674 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)COC(c1ccccc1)c1ccccc1)C2 ZINC001437425160 1065551054 /nfs/dbraw/zinc/55/10/54/1065551054.db2.gz VFUBYBGRKRYSLH-FIPFOOKPSA-N 0 0 464.606 4.946 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001437426065 1065551132 /nfs/dbraw/zinc/55/11/32/1065551132.db2.gz WLSOPXZIGGWMFJ-DFBJGRDBSA-N 0 0 455.624 4.814 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360560513 1065551354 /nfs/dbraw/zinc/55/13/54/1065551354.db2.gz YFCFJDFFGGOZGI-WWNBULGVSA-N 0 0 451.036 4.971 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)(C)C ZINC001360560821 1065551497 /nfs/dbraw/zinc/55/14/97/1065551497.db2.gz HPZFCPGBPFHZDI-APPDUMDISA-N 0 0 452.418 4.609 20 0 JJADRN COCc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1C(F)(F)F ZINC001437435839 1065551711 /nfs/dbraw/zinc/55/17/11/1065551711.db2.gz GQFIHWRSYPSQIG-UHFFFAOYSA-N 0 0 452.498 4.819 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)C(F)(F)F ZINC001437437564 1065551781 /nfs/dbraw/zinc/55/17/81/1065551781.db2.gz GFEYEJNFQHYEFD-XCMFGDQWSA-N 0 0 457.395 4.829 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCOc2cc(Br)ccc21 ZINC001437438958 1065551842 /nfs/dbraw/zinc/55/18/42/1065551842.db2.gz HNSJRIUHZPWSPL-UHFFFAOYSA-N 0 0 450.182 4.691 20 0 JJADRN CC[C@](C)(NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1nccs1 ZINC001360560972 1065552088 /nfs/dbraw/zinc/55/20/88/1065552088.db2.gz NHLFQYQJFUEZFU-QHCPKHFHSA-N 0 0 452.605 4.722 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)co1 ZINC001360561044 1065552194 /nfs/dbraw/zinc/55/21/94/1065552194.db2.gz PLPLJKROKTUXGA-UHFFFAOYSA-N 0 0 454.426 4.593 20 0 JJADRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccc(Cl)cc1 ZINC001360562861 1065553041 /nfs/dbraw/zinc/55/30/41/1065553041.db2.gz DLXXZJHHWNSMRZ-CABCVRRESA-N 0 0 495.805 4.895 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)Oc1cccc(F)c1 ZINC001360562798 1065553170 /nfs/dbraw/zinc/55/31/70/1065553170.db2.gz GBIUVHMPPFQWNB-ICSRJNTNSA-N 0 0 487.620 4.845 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1N1CCNC1=O ZINC001437450146 1065553490 /nfs/dbraw/zinc/55/34/90/1065553490.db2.gz WOWLDWAJENPAHH-OALUTQOASA-N 0 0 459.546 4.856 20 0 JJADRN COc1ccc(/C=C\C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1OC ZINC001437449791 1065553503 /nfs/dbraw/zinc/55/35/03/1065553503.db2.gz GLFZJTZDYKLVNX-HFZJLKNISA-N 0 0 452.551 4.590 20 0 JJADRN COC[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(OC)c1 ZINC001437447636 1065553564 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UKMUAWVDZZONGZ-UHFFFAOYSA-N 0 0 455.551 4.580 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360574570 1065569675 /nfs/dbraw/zinc/56/96/75/1065569675.db2.gz JNAXKZTWEKZSFK-SIKLNZKXSA-N 0 0 494.615 4.652 20 0 JJADRN CC(C)(C)OC(=O)c1c(NC(=O)[C@@H]2CCc3cc(Br)ccc32)nc2ccccn21 ZINC001437538568 1065569616 /nfs/dbraw/zinc/56/96/16/1065569616.db2.gz SXAIRHGKJCGZSH-MRXNPFEDSA-N 0 0 456.340 4.721 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC=C(C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360574902 1065570070 /nfs/dbraw/zinc/57/00/70/1065570070.db2.gz PSTHCCNEPHGUIW-IBGZPJMESA-N 0 0 468.646 4.702 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(OC(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360574573 1065570175 /nfs/dbraw/zinc/57/01/75/1065570175.db2.gz JNSNICGVRQZZRF-OAQYLSRUSA-N 0 0 462.642 4.573 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001360574870 1065570223 /nfs/dbraw/zinc/57/02/23/1065570223.db2.gz PBJQJMZGBREQAO-GHTZIAJQSA-N 0 0 459.516 4.615 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360575188 1065570562 /nfs/dbraw/zinc/57/05/62/1065570562.db2.gz TZZRQVCEEMEPSS-INIZCTEOSA-N 0 0 475.490 4.555 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360575468 1065571264 /nfs/dbraw/zinc/57/12/64/1065571264.db2.gz WHBATWWTENPWNP-BCHFMIIMSA-N 0 0 467.589 4.512 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360575595 1065571304 /nfs/dbraw/zinc/57/13/04/1065571304.db2.gz WYKUUKWIWQQLPL-SFHVURJKSA-N 0 0 485.032 4.809 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360575379 1065571373 /nfs/dbraw/zinc/57/13/73/1065571373.db2.gz VAGSUMCNHVOYEV-JTHBVZDNSA-N 0 0 490.652 4.809 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CCc1cccs1)Oc1ccc(F)cc1 ZINC001360575766 1065571897 /nfs/dbraw/zinc/57/18/97/1065571897.db2.gz ZBOAOBTZDCSPMR-SFHVURJKSA-N 0 0 451.571 4.611 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)nn1[C@@H](C)C1CC1 ZINC001437551808 1065571955 /nfs/dbraw/zinc/57/19/55/1065571955.db2.gz UOJXJKXAXYWTGF-AMHTUMDSSA-N 0 0 470.589 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC001437550701 1065572003 /nfs/dbraw/zinc/57/20/03/1065572003.db2.gz MWBFMTHPDNTZER-WOJBJXKFSA-N 0 0 457.640 4.893 20 0 JJADRN COc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc2ccccc21 ZINC001437552682 1065572510 /nfs/dbraw/zinc/57/25/10/1065572510.db2.gz AHLLBVNSYFQRDS-NFBKMPQASA-N 0 0 479.552 4.906 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360577866 1065572909 /nfs/dbraw/zinc/57/29/09/1065572909.db2.gz FFPUWKRNSCELAM-OYHNWAKOSA-N 0 0 454.512 4.703 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N(CCC(F)(F)F)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360578023 1065573067 /nfs/dbraw/zinc/57/30/67/1065573067.db2.gz GFPPUZDICBAUEA-HNNXBMFYSA-N 0 0 459.557 4.655 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2coc(-c3ccccc3)n2)C1 ZINC001437553900 1065573031 /nfs/dbraw/zinc/57/30/31/1065573031.db2.gz CYUQVUZXIGUSKD-DHIUTWEWSA-N 0 0 479.552 4.933 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC001437555564 1065574156 /nfs/dbraw/zinc/57/41/56/1065574156.db2.gz IEMPQKBKOHKPCF-QTJGBDASSA-N 0 0 468.569 4.774 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc(F)c2C)cc1F ZINC001437556277 1065574237 /nfs/dbraw/zinc/57/42/37/1065574237.db2.gz AVPVYIKUQIOFEE-RXVVDRJESA-N 0 0 460.521 4.805 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001437556384 1065574581 /nfs/dbraw/zinc/57/45/81/1065574581.db2.gz JNNINYAUPVHNQG-DHIUTWEWSA-N 0 0 464.541 4.534 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2scnc2C2CC2)cc1F ZINC001437556573 1065574780 /nfs/dbraw/zinc/57/47/80/1065574780.db2.gz CCXHJBCAYGJZMB-WMZOPIPTSA-N 0 0 475.586 4.691 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)CC2 ZINC001437557997 1065575319 /nfs/dbraw/zinc/57/53/19/1065575319.db2.gz KYCQGLQCWRUBED-CQOQZXRMSA-N 0 0 468.569 4.774 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360579359 1065575824 /nfs/dbraw/zinc/57/58/24/1065575824.db2.gz SDDAEQZVVFYJOE-DXIQSLLYSA-N 0 0 453.631 4.868 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360579660 1065576150 /nfs/dbraw/zinc/57/61/50/1065576150.db2.gz VQLGYZYSJBPUIW-IFMALSPDSA-N 0 0 483.657 4.924 20 0 JJADRN C[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC001360579487 1065576200 /nfs/dbraw/zinc/57/62/00/1065576200.db2.gz RVUVJFMPPJGQBS-IBGZPJMESA-N 0 0 489.624 4.637 20 0 JJADRN C[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(F)F)N(C)C(=O)OC(C)(C)C ZINC001360579605 1065576363 /nfs/dbraw/zinc/57/63/63/1065576363.db2.gz SROYYPWGUINBFL-MRXNPFEDSA-N 0 0 476.572 4.697 20 0 JJADRN COc1ccc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)cnc2c1 ZINC001437559167 1065576234 /nfs/dbraw/zinc/57/62/34/1065576234.db2.gz QECIBJZAFCFDSE-ISKFKSNPSA-N 0 0 479.552 4.906 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCOc2cccc(C)c2)cc1 ZINC001437559050 1065576356 /nfs/dbraw/zinc/57/63/56/1065576356.db2.gz PYGOHTDVXAQXMN-ZEQRLZLVSA-N 0 0 468.594 4.682 20 0 JJADRN C[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360579692 1065576985 /nfs/dbraw/zinc/57/69/85/1065576985.db2.gz WJOJKGFOKSHWHB-QKNQBKEWSA-N 0 0 496.681 4.673 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360579921 1065577419 /nfs/dbraw/zinc/57/74/19/1065577419.db2.gz YWNVDYWYTPPYHZ-HBFSDRIKSA-N 0 0 487.620 4.577 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579906 1065577582 /nfs/dbraw/zinc/57/75/82/1065577582.db2.gz YHLYJCMKUOBSMB-QUCCMNQESA-N 0 0 455.672 4.543 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)c1 ZINC001360580298 1065577986 /nfs/dbraw/zinc/57/79/86/1065577986.db2.gz BWNDAFNYYQFKOL-HKBQPEDESA-N 0 0 455.498 4.541 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)s2)cc1OC ZINC001360580560 1065578070 /nfs/dbraw/zinc/57/80/70/1065578070.db2.gz GGCJTSHNLZEDHU-MRXNPFEDSA-N 0 0 455.580 4.966 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CC1=O ZINC001360580691 1065578314 /nfs/dbraw/zinc/57/83/14/1065578314.db2.gz FZXQRUWTHLJYDJ-VCOUNFBDSA-N 0 0 451.586 4.786 20 0 JJADRN CC(C)(CNC(=O)CC(C1CCC1)C1CCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001360580831 1065578480 /nfs/dbraw/zinc/57/84/80/1065578480.db2.gz LYULJZWPXNOHTD-UHFFFAOYSA-N 0 0 456.446 4.724 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC001437568547 1065578546 /nfs/dbraw/zinc/57/85/46/1065578546.db2.gz UDZGMCBCHCLQDZ-AHIWAGSCSA-N 0 0 457.151 4.890 20 0 JJADRN O=C(Nc1cccc(CSCc2ccccc2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC001360581577 1065578809 /nfs/dbraw/zinc/57/88/09/1065578809.db2.gz NGPPFANSDDVDOD-UHFFFAOYSA-N 0 0 452.601 4.912 20 0 JJADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001437572843 1065578873 /nfs/dbraw/zinc/57/88/73/1065578873.db2.gz CJPUNJFDFYGMAS-UHFFFAOYSA-N 0 0 453.391 4.589 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)c1cc(N2CCOC2=O)ccc1F ZINC001437575180 1065579520 /nfs/dbraw/zinc/57/95/20/1065579520.db2.gz FTQCHJRTZYUZFX-UHFFFAOYSA-N 0 0 453.282 4.860 20 0 JJADRN C[C@H](Oc1ccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1)c1ccccc1 ZINC001437576427 1065579614 /nfs/dbraw/zinc/57/96/14/1065579614.db2.gz QZNYCGYHLOKBFK-IBGZPJMESA-N 0 0 450.560 4.614 20 0 JJADRN Cc1cc(I)cc(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC001360581717 1065579536 /nfs/dbraw/zinc/57/95/36/1065579536.db2.gz XPHVVWJCGJYAHZ-HNNXBMFYSA-N 0 0 452.336 4.738 20 0 JJADRN COCCCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001437578120 1065580011 /nfs/dbraw/zinc/58/00/11/1065580011.db2.gz FAXFLOGZJHSNOB-NRFANRHFSA-N 0 0 454.567 4.588 20 0 JJADRN COc1ccc(/C=C\C(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001437577577 1065580131 /nfs/dbraw/zinc/58/01/31/1065580131.db2.gz CIFJPWGLWCEYHX-HFZJLKNISA-N 0 0 452.551 4.590 20 0 JJADRN O=C(Nc1ccc2c(c1)CCNC2=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001437583590 1065581168 /nfs/dbraw/zinc/58/11/68/1065581168.db2.gz XWOURXNQNFLBKF-UHFFFAOYSA-N 0 0 454.349 4.534 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c1cccc2OC ZINC001437581908 1065581226 /nfs/dbraw/zinc/58/12/26/1065581226.db2.gz GXZPHFUROJZTCL-NIYFSFCBSA-N 0 0 456.558 4.638 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360583623 1065582055 /nfs/dbraw/zinc/58/20/55/1065582055.db2.gz HCEYXFHJBUXWMM-DLBZAZTESA-N 0 0 464.010 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001545907908 1065582048 /nfs/dbraw/zinc/58/20/48/1065582048.db2.gz UCIHDRYZUUFWQQ-RBBKRZOGSA-N 0 0 470.662 4.643 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001437586499 1065582189 /nfs/dbraw/zinc/58/21/89/1065582189.db2.gz YFBUZQSKMPOSQM-LJQANCHMSA-N 0 0 451.498 4.967 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)c1nccs1 ZINC001360583868 1065582507 /nfs/dbraw/zinc/58/25/07/1065582507.db2.gz LZFKXJNJDNLJKH-SJORKVTESA-N 0 0 462.019 4.634 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1C)Oc1ccc(Cl)cc1 ZINC001360584145 1065583071 /nfs/dbraw/zinc/58/30/71/1065583071.db2.gz RHSCZYNRLYROOK-BBWFWOEESA-N 0 0 474.030 4.625 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(F)(F)F)CC1)c1nccs1 ZINC001360584109 1065583180 /nfs/dbraw/zinc/58/31/80/1065583180.db2.gz QVWRKMYEKVIPQI-AWEZNQCLSA-N 0 0 498.600 4.699 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1C)Oc1ccc(Cl)cc1 ZINC001360584146 1065583236 /nfs/dbraw/zinc/58/32/36/1065583236.db2.gz RHSCZYNRLYROOK-BRWVUGGUSA-N 0 0 474.030 4.625 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1)c1nccs1 ZINC001360583940 1065583266 /nfs/dbraw/zinc/58/32/66/1065583266.db2.gz NYGSLLBXCDIXQF-CQSZACIVSA-N 0 0 482.437 4.633 20 0 JJADRN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC001437601206 1065583344 /nfs/dbraw/zinc/58/33/44/1065583344.db2.gz MNAFMCBGEJYENH-UHFFFAOYSA-N 0 0 451.939 4.722 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001437604347 1065584259 /nfs/dbraw/zinc/58/42/59/1065584259.db2.gz BAGIFJNFWSRBID-UHFFFAOYSA-N 0 0 459.793 4.559 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)cs1 ZINC001360584623 1065585104 /nfs/dbraw/zinc/58/51/04/1065585104.db2.gz FUHZDYOPGHBNSD-HXUWFJFHSA-N 0 0 458.008 4.933 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)O[C@H](c2ccc(Br)cc2C)C(F)(F)F)cc1 ZINC001437622356 1065585448 /nfs/dbraw/zinc/58/54/48/1065585448.db2.gz OGMPFRGGTCEOCZ-MRXNPFEDSA-N 0 0 455.234 4.502 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1F ZINC001360585159 1065585386 /nfs/dbraw/zinc/58/53/86/1065585386.db2.gz VEBPYYHZWWIIEY-KRWDZBQOSA-N 0 0 456.901 4.663 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N(Cc3ccco3)c3ccc(OC)c(F)c3)cc2)no1 ZINC001360585184 1065585538 /nfs/dbraw/zinc/58/55/38/1065585538.db2.gz VUICTZCNCYLBFO-UHFFFAOYSA-N 0 0 451.454 4.799 20 0 JJADRN Cc1cc(Br)ccc1[C@H](OC(=O)c1csc(S(C)(=O)=O)c1)C(F)(F)F ZINC001437623584 1065585819 /nfs/dbraw/zinc/58/58/19/1065585819.db2.gz RZMOJMJBRBYXON-ZDUSSCGKSA-N 0 0 457.289 4.683 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360586288 1065586739 /nfs/dbraw/zinc/58/67/39/1065586739.db2.gz CTMGKJSSMMAKED-HKUYNNGSSA-N 0 0 495.628 4.533 20 0 JJADRN COc1cc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)ccc1OCc1cscn1 ZINC001437636958 1065587152 /nfs/dbraw/zinc/58/71/52/1065587152.db2.gz IFRVJRYTMMCVBU-OAQYLSRUSA-N 0 0 452.576 4.941 20 0 JJADRN C[C@H](Cn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360586431 1065587160 /nfs/dbraw/zinc/58/71/60/1065587160.db2.gz DYUUYJNFYGPTOW-QZTJIDSGSA-N 0 0 475.609 4.533 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360586418 1065587350 /nfs/dbraw/zinc/58/73/50/1065587350.db2.gz DWUMEYLPFFKCSH-HKUYNNGSSA-N 0 0 459.610 4.964 20 0 JJADRN CCCc1nccnc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC001437648033 1065587780 /nfs/dbraw/zinc/58/77/80/1065587780.db2.gz COIRJCZZGBHNDT-UHFFFAOYSA-N 0 0 458.518 4.922 20 0 JJADRN C[C@H](Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360587013 1065587745 /nfs/dbraw/zinc/58/77/45/1065587745.db2.gz LJBAWNAIJABXQO-QGZVFWFLSA-N 0 0 471.552 4.764 20 0 JJADRN O=C(Nc1cnn2ccccc12)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001437647977 1065587859 /nfs/dbraw/zinc/58/78/59/1065587859.db2.gz BRSCTHPQDJNNHX-UHFFFAOYSA-N 0 0 450.161 4.726 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC001437653963 1065588234 /nfs/dbraw/zinc/58/82/34/1065588234.db2.gz ILLNLMPQBLWHRM-UHFFFAOYSA-N 0 0 454.368 4.908 20 0 JJADRN C[C@@H](Cn1c(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360587244 1065588454 /nfs/dbraw/zinc/58/84/54/1065588454.db2.gz NYHLLZRKTYFZDT-FQEVSTJZSA-N 0 0 485.648 4.801 20 0 JJADRN C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1nccs1 ZINC001360587472 1065589060 /nfs/dbraw/zinc/58/90/60/1065589060.db2.gz NJCQSXRYOGWGFD-CVEARBPZSA-N 0 0 491.086 4.576 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)CCCc1cccs1)CN(C(=O)OC(C)(C)C)C2 ZINC001437667227 1065589881 /nfs/dbraw/zinc/58/98/81/1065589881.db2.gz YYYUFNTXZPLJFC-UHFFFAOYSA-N 0 0 450.582 4.808 20 0 JJADRN C[C@H](Cn1c(N2CCO[C@H](CCc3ccccc3)C2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360587882 1065589786 /nfs/dbraw/zinc/58/97/86/1065589786.db2.gz UKFBXQIHIREWII-IFMALSPDSA-N 0 0 485.673 4.669 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)C1(Cc3ccccc3)CC1)CN(C(=O)OC(C)(C)C)C2 ZINC001437670121 1065590254 /nfs/dbraw/zinc/59/02/54/1065590254.db2.gz YLPIYHQBYBWJQN-UHFFFAOYSA-N 0 0 456.564 4.747 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1nccc(F)c1I 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452.482 4.588 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)no2)c1 ZINC001437743345 1065598486 /nfs/dbraw/zinc/59/84/86/1065598486.db2.gz KOKUPICHAJHBGG-QHCPKHFHSA-N 0 0 452.482 4.588 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H](CCc1ccccc1)C(F)F)c1ccc(F)cc1 ZINC001437744418 1065598804 /nfs/dbraw/zinc/59/88/04/1065598804.db2.gz RQYWUDQYIBECRX-PMACEKPBSA-N 0 0 450.501 4.817 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1 ZINC001437748326 1065599906 /nfs/dbraw/zinc/59/99/06/1065599906.db2.gz GCVBNPODNCGPRI-CXAGYDPISA-N 0 0 455.502 4.546 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)N(C)c3nc4cc(Br)ccc4s3)c2)o1 ZINC001437751097 1065600737 /nfs/dbraw/zinc/60/07/37/1065600737.db2.gz DHODZAZYSRNDMP-UHFFFAOYSA-N 0 0 459.325 4.532 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)cc1 ZINC001437750460 1065600829 /nfs/dbraw/zinc/60/08/29/1065600829.db2.gz JWNWMDXXMSONFW-UHFFFAOYSA-N 0 0 450.532 4.838 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001437757898 1065602067 /nfs/dbraw/zinc/60/20/67/1065602067.db2.gz HIUITYOOMAFAKI-RYGJVYDSSA-N 0 0 463.359 4.931 20 0 JJADRN COc1ccc(CC(=O)N(C)c2nc3cc(Br)ccc3s2)cc1OC(F)F ZINC001437755938 1065602200 /nfs/dbraw/zinc/60/22/00/1065602200.db2.gz YTRQCEWQBLCUOS-UHFFFAOYSA-N 0 0 457.296 4.874 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC001437755658 1065602289 /nfs/dbraw/zinc/60/22/89/1065602289.db2.gz WGACYRWWVXNZHI-UHFFFAOYSA-N 0 0 457.502 4.695 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)nn1-c1ccc(F)cc1 ZINC001437789381 1065606118 /nfs/dbraw/zinc/60/61/18/1065606118.db2.gz CSIDTKANSWBESZ-VGOFRKELSA-N 0 0 458.578 4.865 20 0 JJADRN COc1ccc(CCC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1Br ZINC001437791160 1065606768 /nfs/dbraw/zinc/60/67/68/1065606768.db2.gz KMVQBWDLPMZCBH-WBVHZDCISA-N 0 0 469.420 4.542 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1Cl ZINC001437790690 1065606817 /nfs/dbraw/zinc/60/68/17/1065606817.db2.gz IBCIFFLPURWZEZ-FOIQADDNSA-N 0 0 451.995 4.844 20 0 JJADRN CCc1ccc(Br)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001360595724 1065607476 /nfs/dbraw/zinc/60/74/76/1065607476.db2.gz DHOSHFSRUZUWKM-UHFFFAOYSA-N 0 0 453.402 4.649 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)/C(C)=C\c3cccc(Cl)c3)cc2)CC1 ZINC001360595692 1065607567 /nfs/dbraw/zinc/60/75/67/1065607567.db2.gz CTVHEPVNMXNFOM-ICFOKQHNSA-N 0 0 454.954 4.797 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc(Br)cc(OC(C)C)c2)cc1F ZINC001437792556 1065607778 /nfs/dbraw/zinc/60/77/78/1065607778.db2.gz IULXUXPINMRXBH-GFCCVEGCSA-N 0 0 454.292 4.568 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc3cc(Br)cc(C)c3o2)cc1F ZINC001437792506 1065607818 /nfs/dbraw/zinc/60/78/18/1065607818.db2.gz HVINDDWYSOUIKW-NSHDSACASA-N 0 0 450.260 4.835 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001437792305 1065607872 /nfs/dbraw/zinc/60/78/72/1065607872.db2.gz NRHBAEDACUDRQX-NUJGCVRESA-N 0 0 458.521 4.916 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)CCCc3ccccc3)cc2)CC1 ZINC001360595938 1065608379 /nfs/dbraw/zinc/60/83/79/1065608379.db2.gz KYKWRIPWHPEZIQ-FQEVSTJZSA-N 0 0 450.579 4.699 20 0 JJADRN Cc1ccc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C ZINC001360595906 1065608397 /nfs/dbraw/zinc/60/83/97/1065608397.db2.gz KABVKMXNCFCIFK-ZRDIBKRKSA-N 0 0 456.486 4.622 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437794281 1065608395 /nfs/dbraw/zinc/60/83/95/1065608395.db2.gz SSTFHSPZIDOZNZ-ZTNFWEORSA-N 0 0 481.431 4.685 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccn3ncc(Br)c23)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437793478 1065608463 /nfs/dbraw/zinc/60/84/63/1065608463.db2.gz QJOVQOQERGNIOV-CRAIPNDOSA-N 0 0 479.419 4.642 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1OC(F)F ZINC001360596328 1065609019 /nfs/dbraw/zinc/60/90/19/1065609019.db2.gz WKZOWTMCJKEOAU-QINSGFPZSA-N 0 0 452.523 4.715 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1F ZINC001437797931 1065610017 /nfs/dbraw/zinc/61/00/17/1065610017.db2.gz RXJUSJCCJDHTGF-CQSZACIVSA-N 0 0 459.905 4.981 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001437800208 1065610912 /nfs/dbraw/zinc/61/09/12/1065610912.db2.gz STTITIGNBSYXNA-DYESRHJHSA-N 0 0 466.912 4.981 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)O2)ccc1OCc1ccc(Br)s1 ZINC001437801028 1065611830 /nfs/dbraw/zinc/61/18/30/1065611830.db2.gz RBEOVPRULXVGOY-HIFRSBDPSA-N 0 0 454.386 4.786 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001360597482 1065613786 /nfs/dbraw/zinc/61/37/86/1065613786.db2.gz LMKUUGDGNKETIJ-PZJWPPBQSA-N 0 0 454.640 4.874 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC001360597497 1065613980 /nfs/dbraw/zinc/61/39/80/1065613980.db2.gz LZFHCKFABCJBPW-IBGZPJMESA-N 0 0 452.628 4.974 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)c1Br ZINC001437816032 1065614441 /nfs/dbraw/zinc/61/44/41/1065614441.db2.gz ZBDDURBLKGDXLE-MRVPVSSYSA-N 0 0 451.109 4.758 20 0 JJADRN CC/C(=C\C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1)c1ccc(C)cc1 ZINC001437819740 1065614970 /nfs/dbraw/zinc/61/49/70/1065614970.db2.gz ROYVLGQVIMDJMS-DTKKNGCVSA-N 0 0 456.380 4.768 20 0 JJADRN CC/C(=C/C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1)c1ccc(C)cc1 ZINC001437819742 1065614981 /nfs/dbraw/zinc/61/49/81/1065614981.db2.gz ROYVLGQVIMDJMS-REEUPSRWSA-N 0 0 456.380 4.768 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001437816114 1065614988 /nfs/dbraw/zinc/61/49/88/1065614988.db2.gz PSRNEUCERNLYFU-DLBZAZTESA-N 0 0 470.467 4.548 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccc(OC)cc2OC)nnc1-c1ccccc1 ZINC001437822038 1065615822 /nfs/dbraw/zinc/61/58/22/1065615822.db2.gz VDZHEBZFAVZMAX-SJORKVTESA-N 0 0 454.596 4.903 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437841920 1065618427 /nfs/dbraw/zinc/61/84/27/1065618427.db2.gz VIGLOGKUZKAVIJ-GRJZNYKUSA-N 0 0 454.998 4.628 20 0 JJADRN O=C(CCn1cc(Br)cn1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001437848039 1065619164 /nfs/dbraw/zinc/61/91/64/1065619164.db2.gz JFUDSRVNEJHTDQ-CQSZACIVSA-N 0 0 459.207 4.542 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)Nc3ccc(C(=O)OC)cc3OCC(F)F)c2)c1C ZINC001437848676 1065619951 /nfs/dbraw/zinc/61/99/51/1065619951.db2.gz KIOQBJWGPDXJAS-UHFFFAOYSA-N 0 0 457.477 4.734 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)OCc2nnc(C(C)C)s2)cs1 ZINC001437853485 1065620740 /nfs/dbraw/zinc/62/07/40/1065620740.db2.gz NVAUYJCYZDHCRV-UHFFFAOYSA-N 0 0 454.371 4.913 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2cc(Br)ccc2OC(C)C)c1C ZINC001545910270 1065620887 /nfs/dbraw/zinc/62/08/87/1065620887.db2.gz OSOLJDCVLBTZNH-AWEZNQCLSA-N 0 0 452.393 4.861 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cncc(-c3ccc(OC)cc3C)c2)c(OCC(F)F)c1 ZINC001437854489 1065620938 /nfs/dbraw/zinc/62/09/38/1065620938.db2.gz YDIAYFHVMXRPDT-UHFFFAOYSA-N 0 0 456.445 4.748 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001437854353 1065621015 /nfs/dbraw/zinc/62/10/15/1065621015.db2.gz XGNIGDGYXISTAK-UHFFFAOYSA-N 0 0 450.988 4.945 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(-c3cccc(C)c3)c2)c1 ZINC001360600210 1065622552 /nfs/dbraw/zinc/62/25/52/1065622552.db2.gz GKLROMPTBTWNSK-UHFFFAOYSA-N 0 0 450.604 4.931 20 0 JJADRN CCOC1CC2(C[C@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001360600218 1065622562 /nfs/dbraw/zinc/62/25/62/1065622562.db2.gz BVELUSNKKICIGJ-KQVJYAISSA-N 0 0 457.368 4.523 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(OC(F)F)c(OC)c1 ZINC001437871243 1065622636 /nfs/dbraw/zinc/62/26/36/1065622636.db2.gz IVDXEWXZLXOBBW-CYBMUJFWSA-N 0 0 459.536 4.600 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ncc1Br ZINC001437870570 1065622757 /nfs/dbraw/zinc/62/27/57/1065622757.db2.gz FCAWCXSLXOEHCQ-KRWDZBQOSA-N 0 0 451.748 4.579 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CO1 ZINC001360600467 1065623041 /nfs/dbraw/zinc/62/30/41/1065623041.db2.gz GGSAAMPCFWCLIK-GXTWGEPZSA-N 0 0 451.869 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1Cc1nc(C(C)C)cs1 ZINC001545910642 1065625105 /nfs/dbraw/zinc/62/51/05/1065625105.db2.gz FGQHKFXNIFANNW-LJQANCHMSA-N 0 0 487.699 4.931 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C(C)C)C3CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001437895448 1065626744 /nfs/dbraw/zinc/62/67/44/1065626744.db2.gz MUNNSAZHYJENOQ-LGPLSSKUSA-N 0 0 450.579 4.739 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001492597436 1065626939 /nfs/dbraw/zinc/62/69/39/1065626939.db2.gz YGVSFKQGZFDUKQ-HXUWFJFHSA-N 0 0 492.624 4.610 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001360602523 1065627074 /nfs/dbraw/zinc/62/70/74/1065627074.db2.gz GVAAJCHGAQNKAZ-UHFFFAOYSA-N 0 0 451.386 4.655 20 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CN1C(=O)C[C@H](C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001437926424 1065631050 /nfs/dbraw/zinc/63/10/50/1065631050.db2.gz AHSPRLMOBBXURB-XYZCENFISA-N 0 0 455.704 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@H](C)c1c(C)noc1C ZINC001545910960 1065631807 /nfs/dbraw/zinc/63/18/07/1065631807.db2.gz POZMILBBGIOFIZ-VBKZILBWSA-N 0 0 485.658 4.711 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cn1 ZINC001360607646 1065634344 /nfs/dbraw/zinc/63/43/44/1065634344.db2.gz IMUODIBWPWKZFN-UHFFFAOYSA-N 0 0 450.442 4.827 20 0 JJADRN C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)C1CCCCC1)CN1CCOCC1 ZINC001360607678 1065634360 /nfs/dbraw/zinc/63/43/60/1065634360.db2.gz ZTMCVUNTHOHZPW-PMACEKPBSA-N 0 0 475.628 4.520 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3Cl)C2)cc1 ZINC001360608107 1065635342 /nfs/dbraw/zinc/63/53/42/1065635342.db2.gz OFPGMCLUOGAAMB-JKSUJKDBSA-N 0 0 455.407 4.580 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC1(CC)CCC1 ZINC001545911132 1065635378 /nfs/dbraw/zinc/63/53/78/1065635378.db2.gz VLUMPVUWZZIRQC-JOCHJYFZSA-N 0 0 453.631 4.745 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1 ZINC001437959903 1065636389 /nfs/dbraw/zinc/63/63/89/1065636389.db2.gz QVAROYVMIJIQTG-QFIPXVFZSA-N 0 0 456.464 4.570 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC001360608391 1065636292 /nfs/dbraw/zinc/63/62/92/1065636292.db2.gz UYCJYXUPGHMFGA-ACJLOTCBSA-N 0 0 453.391 4.785 20 0 JJADRN C[C@@H](C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001437958375 1065636471 /nfs/dbraw/zinc/63/64/71/1065636471.db2.gz GYVUTHUOFBGGIS-MRXNPFEDSA-N 0 0 456.464 4.656 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1)N1CCCCC1=O ZINC001437964707 1065636977 /nfs/dbraw/zinc/63/69/77/1065636977.db2.gz WDWAJGKSLIUZTR-MOPGFXCFSA-N 0 0 453.446 4.569 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](C)C1 ZINC001360608997 1065637737 /nfs/dbraw/zinc/63/77/37/1065637737.db2.gz XHGQECWOHVGIRJ-HZPDHXFCSA-N 0 0 466.051 4.701 20 0 JJADRN O=C(NCc1ccc(-c2ccccc2)s1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001437965689 1065637761 /nfs/dbraw/zinc/63/77/61/1065637761.db2.gz FVACEUNKSHIABS-LJQANCHMSA-N 0 0 456.514 4.938 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3C(C)(C)C3(F)F)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001437965306 1065637812 /nfs/dbraw/zinc/63/78/12/1065637812.db2.gz IQWKEDNVTCOMNW-MQSCRBSSSA-N 0 0 456.533 4.895 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(F)c(Br)c1F)c1ccccc1 ZINC001437965613 1065637907 /nfs/dbraw/zinc/63/79/07/1065637907.db2.gz FANLDDAVDMOSQR-ZDUSSCGKSA-N 0 0 455.299 4.974 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H]1C ZINC001360609092 1065638864 /nfs/dbraw/zinc/63/88/64/1065638864.db2.gz ZEMBTGHAVNVBDQ-QZTJIDSGSA-N 0 0 450.587 4.643 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1ccc(I)c(F)c1 ZINC001437966996 1065638878 /nfs/dbraw/zinc/63/88/78/1065638878.db2.gz HZFJOTXEXNAXHC-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001360609270 1065639541 /nfs/dbraw/zinc/63/95/41/1065639541.db2.gz BUUPPGUHFDQANB-UYAOXDASSA-N 0 0 482.604 4.642 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001437970252 1065639637 /nfs/dbraw/zinc/63/96/37/1065639637.db2.gz HKBOLVFUXOLLBR-NRFANRHFSA-N 0 0 451.361 4.941 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(-c3ccccc3)s2)c1 ZINC001437971653 1065640690 /nfs/dbraw/zinc/64/06/90/1065640690.db2.gz YGQVWOJSYIGUEF-UHFFFAOYSA-N 0 0 450.379 4.511 20 0 JJADRN COc1cc(CCNC(=O)Cc2c[nH]c3c2cccc3C)cc(OC)c1OCc1ccccc1 ZINC001437975353 1065641215 /nfs/dbraw/zinc/64/12/15/1065641215.db2.gz DGEAEHSGUHXSST-UHFFFAOYSA-N 0 0 458.558 4.974 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccs2)CC1 ZINC001360609776 1065642318 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CCOc1ccc(-c2nc(C(=O)N[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC001438561922 1065731611 /nfs/dbraw/zinc/73/16/11/1065731611.db2.gz CXKWRGFWGKBMBX-MRXNPFEDSA-N 0 0 459.612 4.974 20 0 JJADRN COc1cccc([C@@H](NC(=O)Cc2ccccc2O[C@@H]2CCOC2)c2ccccc2Cl)c1 ZINC001360673109 1065731665 /nfs/dbraw/zinc/73/16/65/1065731665.db2.gz DKVYLERVPFLOCC-QFQXNSOFSA-N 0 0 451.950 4.965 20 0 JJADRN CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001438565684 1065731678 /nfs/dbraw/zinc/73/16/78/1065731678.db2.gz LBLCDDMLFCPBKA-HKUYNNGSSA-N 0 0 458.961 4.501 20 0 JJADRN C[C@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001438565528 1065731853 /nfs/dbraw/zinc/73/18/53/1065731853.db2.gz JBSAATXCYIUUTN-HNNXBMFYSA-N 0 0 456.505 4.769 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001360673939 1065732146 /nfs/dbraw/zinc/73/21/46/1065732146.db2.gz RAAORRQDLHIURI-BBRMVZONSA-N 0 0 451.539 4.902 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001360674401 1065732493 /nfs/dbraw/zinc/73/24/93/1065732493.db2.gz WPGRFLBRYGZNHC-UGIARPQZSA-N 0 0 457.636 4.898 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001360674400 1065732548 /nfs/dbraw/zinc/73/25/48/1065732548.db2.gz WPGRFLBRYGZNHC-PSUQPPDWSA-N 0 0 457.636 4.898 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001360674397 1065732623 /nfs/dbraw/zinc/73/26/23/1065732623.db2.gz WNJXWHDASWDKAG-YOEHRIQHSA-N 0 0 459.812 4.845 20 0 JJADRN CCCCc1nc(C)c(CC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)s1 ZINC001360674684 1065732977 /nfs/dbraw/zinc/73/29/77/1065732977.db2.gz LDBQLFTYFRYMRC-UHFFFAOYSA-N 0 0 455.649 4.844 20 0 JJADRN Cc1c(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC001360677267 1065733521 /nfs/dbraw/zinc/73/35/21/1065733521.db2.gz CTYJOJKALJYCAD-KSFYIVLOSA-N 0 0 454.368 4.854 20 0 JJADRN 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ZINC001360682356 1065735493 /nfs/dbraw/zinc/73/54/93/1065735493.db2.gz SUNUTYKDGWOKDF-LBPRGKRZSA-N 0 0 450.720 4.545 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC001360686596 1065735858 /nfs/dbraw/zinc/73/58/58/1065735858.db2.gz BVTWFOVPFNADJL-UHFFFAOYSA-N 0 0 450.276 4.600 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC001360686674 1065735887 /nfs/dbraw/zinc/73/58/87/1065735887.db2.gz FOIVEKMZMDGJCN-IBGZPJMESA-N 0 0 452.473 4.875 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001360686904 1065736249 /nfs/dbraw/zinc/73/62/49/1065736249.db2.gz NJULYDGDPUURIH-NSHDSACASA-N 0 0 452.761 4.950 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001438615635 1065736330 /nfs/dbraw/zinc/73/63/30/1065736330.db2.gz JECDETAMVDANJD-OAQYLSRUSA-N 0 0 457.489 4.794 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CCc2ccccc21 ZINC001360687055 1065736353 /nfs/dbraw/zinc/73/63/53/1065736353.db2.gz 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COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@](F)(c3ccccc3)C2)c1 ZINC001438617961 1065736522 /nfs/dbraw/zinc/73/65/22/1065736522.db2.gz AQGSXJYGEUDIJN-BKMJKUGQSA-N 0 0 456.558 4.618 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001360690223 1065736850 /nfs/dbraw/zinc/73/68/50/1065736850.db2.gz AAOAZLJCLAFSPG-CVDCTZTESA-N 0 0 454.979 4.526 20 0 JJADRN C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC001438619995 1065737152 /nfs/dbraw/zinc/73/71/52/1065737152.db2.gz SJEHMKMWRVEJOB-HXUWFJFHSA-N 0 0 450.461 4.995 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1c(OC)cccc1OC(F)(F)F ZINC001438630693 1065738061 /nfs/dbraw/zinc/73/80/61/1065738061.db2.gz ATAYWZSXWQKVAK-UHFFFAOYSA-N 0 0 451.397 4.589 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)CC1=O ZINC001360696866 1065738514 /nfs/dbraw/zinc/73/85/14/1065738514.db2.gz PXDZLUQHSJZNAX-QGZVFWFLSA-N 0 0 450.564 4.973 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc2cc(Br)cc(C)c2o1)c1noc(C)n1 ZINC001360696836 1065738544 /nfs/dbraw/zinc/73/85/44/1065738544.db2.gz PDQZSDLNMCUCAO-GOSISDBHSA-N 0 0 456.296 4.723 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Oc2cccc(C(=O)N(C)CC)c2)cc1OC ZINC001360696844 1065738576 /nfs/dbraw/zinc/73/85/76/1065738576.db2.gz PKDRTWWIAWYBDQ-UHFFFAOYSA-N 0 0 450.329 4.558 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1noc(C)n1 ZINC001360696936 1065738592 /nfs/dbraw/zinc/73/85/92/1065738592.db2.gz SYPNFUDNUGQFRC-BXKMTCNYSA-N 0 0 455.514 4.627 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1noc(C)n1 ZINC001360696677 1065738657 /nfs/dbraw/zinc/73/86/57/1065738657.db2.gz IYCJODQXYNHFJU-QFIPXVFZSA-N 0 0 452.898 4.533 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)Cc1cc(Cl)ccc1Cl ZINC001438632506 1065738681 /nfs/dbraw/zinc/73/86/81/1065738681.db2.gz UUTAQTOTXZHREY-OAHLLOKOSA-N 0 0 451.169 4.733 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1)N1C(=O)c2ccccc2C1=O ZINC001360701137 1065739605 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453.457 4.919 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1 ZINC001360702106 1065740814 /nfs/dbraw/zinc/74/08/14/1065740814.db2.gz VQNSXTPRCAKJNA-HOTGVXAUSA-N 0 0 454.621 4.789 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@H]3C[C@]34CCCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001360702031 1065740864 /nfs/dbraw/zinc/74/08/64/1065740864.db2.gz RVBXATUBLBEVPT-DVECYGJZSA-N 0 0 458.580 4.899 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC001438655388 1065740827 /nfs/dbraw/zinc/74/08/27/1065740827.db2.gz DNQGYQYBKBAYSF-FQEVSTJZSA-N 0 0 453.435 4.823 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)cs2)cc1 ZINC001360702076 1065740961 /nfs/dbraw/zinc/74/09/61/1065740961.db2.gz UDBZIBSBVWXYBF-MOPGFXCFSA-N 0 0 475.364 4.797 20 0 JJADRN C[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC001360703564 1065741279 /nfs/dbraw/zinc/74/12/79/1065741279.db2.gz IZXPSJCSODITLL-HSZRJFAPSA-N 0 0 455.396 4.539 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cncc(Br)c1 ZINC001360703299 1065741406 /nfs/dbraw/zinc/74/14/06/1065741406.db2.gz HDJGAOAGPXLHSQ-UHFFFAOYSA-N 0 0 451.299 4.766 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)CCc1ccc(OC)c(OC)c1 ZINC001438678699 1065742542 /nfs/dbraw/zinc/74/25/42/1065742542.db2.gz UYIDNJAUYULPMN-UHFFFAOYSA-N 0 0 450.329 4.523 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1cccc(Br)c1 ZINC001438682036 1065742858 /nfs/dbraw/zinc/74/28/58/1065742858.db2.gz HVEIHKLADVXRFS-OAQYLSRUSA-N 0 0 457.324 4.763 20 0 JJADRN COc1ccc(OCCCC(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 ZINC001360710194 1065742995 /nfs/dbraw/zinc/74/29/95/1065742995.db2.gz JVFOPXVUVVKOOW-UHFFFAOYSA-N 0 0 458.356 4.964 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@H](C)Oc3cccc(C)c3)cc2Br)no1 ZINC001360709738 1065743062 /nfs/dbraw/zinc/74/30/62/1065743062.db2.gz DCFBJYOXCJGKMS-INIZCTEOSA-N 0 0 459.340 4.830 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001360710776 1065743133 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C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H]1CCCC1(C)C ZINC001360739835 1065772206 /nfs/dbraw/zinc/77/22/06/1065772206.db2.gz XRIHGGUGRXDVAF-LEWJYISDSA-N 0 0 487.664 4.931 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N[C@@H]3CCCOc4c(OC)cccc43)CC2(Cl)Cl)cc1 ZINC001438970376 1065772417 /nfs/dbraw/zinc/77/24/17/1065772417.db2.gz XKCJLEYOZVLRBN-XMSQKQJNSA-N 0 0 450.362 4.939 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N2CC[C@@H](c3ccc(C)cc3)C2(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001438970340 1065772429 /nfs/dbraw/zinc/77/24/29/1065772429.db2.gz XIBRDXIEEUBFGI-TZRRMPRUSA-N 0 0 450.579 4.516 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cccs2)n1CC[S@@](=O)C(C)(C)C ZINC001360739928 1065772480 /nfs/dbraw/zinc/77/24/80/1065772480.db2.gz ZANVCXRKQPXUJU-UJQZNKFNSA-N 0 0 478.659 4.845 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(Cl)s1 ZINC001360739895 1065772601 /nfs/dbraw/zinc/77/26/01/1065772601.db2.gz YNARMPULFIOLNM-HNNXBMFYSA-N 0 0 460.966 4.653 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC001438980080 1065773454 /nfs/dbraw/zinc/77/34/54/1065773454.db2.gz JJHYCEPKGWFBQP-UHFFFAOYSA-N 0 0 453.713 4.883 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)Cc1ccc(I)cc1 ZINC001438975278 1065773535 /nfs/dbraw/zinc/77/35/35/1065773535.db2.gz YNRJHWYMTVHEDD-MRXNPFEDSA-N 0 0 455.286 4.907 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN(C)C(=O)c2cn(-c3cccnc3)nn2)ccc1F ZINC001438978640 1065773607 /nfs/dbraw/zinc/77/36/07/1065773607.db2.gz YMJAYGKBIFUNFE-UHFFFAOYSA-N 0 0 451.889 4.828 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC001360740349 1065774201 /nfs/dbraw/zinc/77/42/01/1065774201.db2.gz AMCSSUIQBRRUPQ-INIZCTEOSA-N 0 0 453.539 4.925 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360740359 1065774271 /nfs/dbraw/zinc/77/42/71/1065774271.db2.gz GGBAHSGYKZJNBA-FGTMMUONSA-N 0 0 475.609 4.953 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCc3ccc4ccc(Br)cc4c3)CC2=O)cc1F ZINC001438985599 1065774119 /nfs/dbraw/zinc/77/41/19/1065774119.db2.gz GOUZQWFTDGMAOS-GOSISDBHSA-N 0 0 455.327 4.719 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)Cc3csc(COc4ccccc4)n3)sc2c1 ZINC001438982445 1065774135 /nfs/dbraw/zinc/77/41/35/1065774135.db2.gz LJKGQTPKUKKDAV-UHFFFAOYSA-N 0 0 453.545 4.690 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)sc2c1 ZINC001438980604 1065774182 /nfs/dbraw/zinc/77/41/82/1065774182.db2.gz ILRTXZPKMQYYMO-UHFFFAOYSA-N 0 0 456.911 4.748 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCCN(c4ccccc4)C3=O)c(F)c2)c(F)c1 ZINC001360740671 1065774550 /nfs/dbraw/zinc/77/45/50/1065774550.db2.gz DTJKXGYKHVRAPE-DEOSSOPVSA-N 0 0 450.485 4.908 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([S@](C)=O)CCC1 ZINC001360740941 1065774603 /nfs/dbraw/zinc/77/46/03/1065774603.db2.gz LLDUMKWQMBFKTE-CAROCFPZSA-N 0 0 488.551 4.637 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)c1ccc(OC)c(C2CC2)c1)C(C)C ZINC001438992811 1065774722 /nfs/dbraw/zinc/77/47/22/1065774722.db2.gz GOLVNJXGKVCHLK-OAHLLOKOSA-N 0 0 458.580 4.607 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)C ZINC001438991941 1065774941 /nfs/dbraw/zinc/77/49/41/1065774941.db2.gz DIGKIPFPIQYLDX-MNDMWVCDSA-N 0 0 453.564 4.602 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccoc2)CC1 ZINC001360741289 1065775085 /nfs/dbraw/zinc/77/50/85/1065775085.db2.gz NWQRUPAFYVYIQW-RBUKOAKNSA-N 0 0 483.588 4.576 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC(C)(C)O ZINC001360740971 1065775154 /nfs/dbraw/zinc/77/51/54/1065775154.db2.gz LVKUADWTHNJHAX-XLIONFOSSA-N 0 0 474.602 4.575 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[C@@H](c4cccc(Cl)c4)C3(C)C)CC2=O)c1 ZINC001438994399 1065775361 /nfs/dbraw/zinc/77/53/61/1065775361.db2.gz BLHLPSIEFHMTCE-VGSWGCGISA-N 0 0 456.970 4.505 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[C@@H](c4cccc(Cl)c4)C3(C)C)CC2=O)c1 ZINC001438994383 1065775416 /nfs/dbraw/zinc/77/54/16/1065775416.db2.gz BLHLPSIEFHMTCE-JTSKRJEESA-N 0 0 456.970 4.505 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001360741536 1065775725 /nfs/dbraw/zinc/77/57/25/1065775725.db2.gz QDLGYQMSNSXKCG-GOSISDBHSA-N 0 0 469.609 4.824 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Oc1cc(Br)c(F)cc1C ZINC001438999787 1065775878 /nfs/dbraw/zinc/77/58/78/1065775878.db2.gz NUEWINZDRBPMQT-SPLOXXLWSA-N 0 0 475.314 4.774 20 0 JJADRN C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC001360741941 1065776137 /nfs/dbraw/zinc/77/61/37/1065776137.db2.gz TTXYJPBQFCOWRR-MSOLQXFVSA-N 0 0 459.566 4.579 20 0 JJADRN O=C(NCCC[C@H]1C=CCC1)c1c(I)ccc(Br)c1F ZINC001439002008 1065776430 /nfs/dbraw/zinc/77/64/30/1065776430.db2.gz OZOGJJBNSAWDAI-JTQLQIEISA-N 0 0 452.105 4.669 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(CC2CC2)C2CCCCC2)n1CCC(=O)N(C)C ZINC001360742110 1065776696 /nfs/dbraw/zinc/77/66/96/1065776696.db2.gz USYFBNXMIURQHM-SFHVURJKSA-N 0 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C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(C(F)(F)F)nc1 ZINC001439039637 1065779130 /nfs/dbraw/zinc/77/91/30/1065779130.db2.gz MDCXTRSAKBGIRO-VBKZILBWSA-N 0 0 455.436 4.534 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cncc(-c2ccc(OC)cc2C)c1)c1cccc(C(F)(F)F)c1 ZINC001439038069 1065779264 /nfs/dbraw/zinc/77/92/64/1065779264.db2.gz HITMKPQMZLISAL-OAQYLSRUSA-N 0 0 458.436 4.729 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)C[C@H]1C(F)(F)F ZINC001439040885 1065779324 /nfs/dbraw/zinc/77/93/24/1065779324.db2.gz QCFDSHJLFYVRKI-QZTJIDSGSA-N 0 0 458.436 4.822 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C[C@H]1C(F)(F)F ZINC001439040307 1065779380 /nfs/dbraw/zinc/77/93/80/1065779380.db2.gz LRLFTWGJHJCRKP-HUUCEWRRSA-N 0 0 465.896 4.587 20 0 JJADRN CC1(C)CCc2cc(Br)ccc2N1C(=O)COc1ccc(Br)cn1 ZINC001439042385 1065779907 /nfs/dbraw/zinc/77/99/07/1065779907.db2.gz MELAIPSQHUYLMT-UHFFFAOYSA-N 0 0 454.162 4.743 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001439043738 1065779919 /nfs/dbraw/zinc/77/99/19/1065779919.db2.gz YTVZTGHRQLPJCM-QHCPKHFHSA-N 0 0 457.448 4.857 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCc1cccnc1 ZINC001360743762 1065779990 /nfs/dbraw/zinc/77/99/90/1065779990.db2.gz ISRUUOIQHUFJPY-LJQANCHMSA-N 0 0 467.589 4.979 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCc1cccnc1 ZINC001360743761 1065780007 /nfs/dbraw/zinc/78/00/07/1065780007.db2.gz ISRUUOIQHUFJPY-IBGZPJMESA-N 0 0 467.589 4.979 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1cccc(C(F)(F)F)c1 ZINC001439044509 1065779979 /nfs/dbraw/zinc/77/99/79/1065779979.db2.gz KEAAJKBPNFEXAA-SFHVURJKSA-N 0 0 452.429 4.536 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2sc3ccc(Br)cc3c2C)C[C@H]1C(F)(F)F ZINC001439046603 1065780562 /nfs/dbraw/zinc/78/05/62/1065780562.db2.gz RCGNEWDKZGWBCL-CHWSQXEVSA-N 0 0 464.303 4.786 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001360744016 1065780986 /nfs/dbraw/zinc/78/09/86/1065780986.db2.gz MZFASFVZPMNWJE-SFHVURJKSA-N 0 0 499.635 4.736 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OCC3CC3)CC2)n1CCC(C)(F)F ZINC001360744120 1065781002 /nfs/dbraw/zinc/78/10/02/1065781002.db2.gz OFCGSXAECPHNTN-MRXNPFEDSA-N 0 0 452.521 4.998 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)cc1OCCC ZINC001439047376 1065781009 /nfs/dbraw/zinc/78/10/09/1065781009.db2.gz SDQWXUBZYNVHFR-HXUWFJFHSA-N 0 0 453.457 4.927 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001439048373 1065781103 /nfs/dbraw/zinc/78/11/03/1065781103.db2.gz YWLLUBBGRQHQAB-MGPLVRAMSA-N 0 0 450.240 4.810 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001439066363 1065782018 /nfs/dbraw/zinc/78/20/18/1065782018.db2.gz MTGDBVNANPCFJP-UHFFFAOYSA-N 0 0 455.845 4.579 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2Cc3ccccc3[C@H](C)C2)C1 ZINC001439071429 1065782712 /nfs/dbraw/zinc/78/27/12/1065782712.db2.gz UKZBSBZTPQWASB-MJGOQNOKSA-N 0 0 455.396 4.756 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCCN1CCCCCC1=O ZINC001360744665 1065782779 /nfs/dbraw/zinc/78/27/79/1065782779.db2.gz YVRBFPCZQGFLKR-HKBOAZHASA-N 0 0 471.621 4.832 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCCC(F)(F)F ZINC001360744695 1065782814 /nfs/dbraw/zinc/78/28/14/1065782814.db2.gz ZKKWEZANLJEBDX-IIBYNOLFSA-N 0 0 456.484 4.907 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1 ZINC001360744784 1065782824 /nfs/dbraw/zinc/78/28/24/1065782824.db2.gz AMHXTTGSYIQRCQ-QIJZPMMNSA-N 0 0 489.611 4.827 20 0 JJADRN COCC(C)(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC001439079580 1065783208 /nfs/dbraw/zinc/78/32/08/1065783208.db2.gz JULGFZVPQSDDFI-ZCYQVOJMSA-N 0 0 452.595 4.667 20 0 JJADRN Cc1ccc(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Sc2ccc(Cl)cc2)c1 ZINC001439085446 1065783729 /nfs/dbraw/zinc/78/37/29/1065783729.db2.gz AMXBCRONKYQFRV-QNBRMCRTSA-N 0 0 450.025 4.885 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC(=O)NC(C)(C)C ZINC001360744963 1065783681 /nfs/dbraw/zinc/78/36/81/1065783681.db2.gz DWHVIENEIPWRBD-CVEARBPZSA-N 0 0 485.526 4.641 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360745528 1065784791 /nfs/dbraw/zinc/78/47/91/1065784791.db2.gz MDAZOCODHZJHNY-SHJAMOMRSA-N 0 0 491.583 4.923 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCOC(C)(C)C ZINC001360745488 1065784873 /nfs/dbraw/zinc/78/48/73/1065784873.db2.gz LODWOFMPFAKIFD-XMSQKQJNSA-N 0 0 460.594 4.768 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001439095799 1065784908 /nfs/dbraw/zinc/78/49/08/1065784908.db2.gz TYZQIURTCMETKK-NRFANRHFSA-N 0 0 457.592 4.736 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)[C@@H](OC)c1ccc(Br)s1 ZINC001439097719 1065785379 /nfs/dbraw/zinc/78/53/79/1065785379.db2.gz YWZBZQWIOZKWJV-KSSFIOAISA-N 0 0 456.427 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cnn(CCC(F)(F)F)c2)CC1 ZINC001439101244 1065785749 /nfs/dbraw/zinc/78/57/49/1065785749.db2.gz GRJIBUWXZAMIRA-KRWDZBQOSA-N 0 0 458.525 4.525 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001439101165 1065785795 /nfs/dbraw/zinc/78/57/95/1065785795.db2.gz GKDYFEJDUCOASO-UHFFFAOYSA-N 0 0 453.023 4.932 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCC(=O)NC(C)(C)C ZINC001360745842 1065786309 /nfs/dbraw/zinc/78/63/09/1065786309.db2.gz PISOIVMTUNRXBM-YLJYHZDGSA-N 0 0 469.561 4.797 20 0 JJADRN CCc1ccc(Br)c(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)c1 ZINC001439103109 1065786356 /nfs/dbraw/zinc/78/63/56/1065786356.db2.gz UQWDSNDRVZZHJT-KRWDZBQOSA-N 0 0 454.162 4.590 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001360745880 1065786511 /nfs/dbraw/zinc/78/65/11/1065786511.db2.gz PWYXPBKCBMYIGU-RFCQMFNXSA-N 0 0 464.651 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ncccc2Br)CC1 ZINC001439105629 1065786842 /nfs/dbraw/zinc/78/68/42/1065786842.db2.gz QKKYKBDAMIGRID-INIZCTEOSA-N 0 0 452.393 4.534 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C)c(N4CCCC4)c3)cc2)c1 ZINC001439106396 1065786947 /nfs/dbraw/zinc/78/69/47/1065786947.db2.gz RKOGMKHUBIUTGG-UHFFFAOYSA-N 0 0 459.546 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ncccc2Br)CC1 ZINC001439105630 1065786959 /nfs/dbraw/zinc/78/69/59/1065786959.db2.gz QKKYKBDAMIGRID-MRXNPFEDSA-N 0 0 452.393 4.534 20 0 JJADRN CC(C)(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)s1 ZINC001439107085 1065787578 /nfs/dbraw/zinc/78/75/78/1065787578.db2.gz BLROPNXPEHUJPG-OAHLLOKOSA-N 0 0 450.551 4.816 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C ZINC001360746029 1065787622 /nfs/dbraw/zinc/78/76/22/1065787622.db2.gz RUFKPKDMVXHGRY-LXGFNABISA-N 0 0 473.593 4.879 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCC2)n1CCC(=O)NC1CCCCC1 ZINC001360746128 1065787720 /nfs/dbraw/zinc/78/77/20/1065787720.db2.gz SXWWBJLBRUFKFQ-LJQANCHMSA-N 0 0 457.594 4.777 20 0 JJADRN CCCCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H](C)c1ccccc1 ZINC001360746309 1065788130 /nfs/dbraw/zinc/78/81/30/1065788130.db2.gz AXWYCDMXAPEPNG-FPOVZHCZSA-N 0 0 455.603 4.854 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCCC(=O)N(C)C ZINC001360746173 1065788195 /nfs/dbraw/zinc/78/81/95/1065788195.db2.gz UIYXISINMPVPJN-IBVKSMDESA-N 0 0 469.605 4.752 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@]1(C)CCCO1 ZINC001360746714 1065788472 /nfs/dbraw/zinc/78/84/72/1065788472.db2.gz YGOYRUHCAIKHAN-DKZVUGQWSA-N 0 0 486.510 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)C1CCCC1 ZINC001439111781 1065788475 /nfs/dbraw/zinc/78/84/75/1065788475.db2.gz LPNXTCNXDCGCAB-WIYYLYMNSA-N 0 0 458.599 4.784 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCc3sccc3C2)n1CC[S@](=O)C(C)(C)C ZINC001360746693 1065788522 /nfs/dbraw/zinc/78/85/22/1065788522.db2.gz XYZIYHCOECSTHJ-KNTRGWTASA-N 0 0 476.643 4.729 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@]1(C)CCCO1 ZINC001360746715 1065788535 /nfs/dbraw/zinc/78/85/35/1065788535.db2.gz YGOYRUHCAIKHAN-NBCNXNJRSA-N 0 0 486.510 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)C1CCCC1 ZINC001439111778 1065788709 /nfs/dbraw/zinc/78/87/09/1065788709.db2.gz LPNXTCNXDCGCAB-GHTZIAJQSA-N 0 0 458.599 4.784 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCC(C)(C)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360746821 1065789046 /nfs/dbraw/zinc/78/90/46/1065789046.db2.gz ZCIGXHILGWNLNM-GOSISDBHSA-N 0 0 478.634 4.541 20 0 JJADRN Cc1c(C(=O)NC2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)sc2nccc(C)c12 ZINC001439115151 1065789068 /nfs/dbraw/zinc/78/90/68/1065789068.db2.gz BORVFUKIAALKGS-UHFFFAOYSA-N 0 0 457.518 4.975 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1cccs1 ZINC001360748504 1065789455 /nfs/dbraw/zinc/78/94/55/1065789455.db2.gz AOGJDRPFLJWDOJ-HOTGVXAUSA-N 0 0 483.535 4.740 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001439118405 1065789628 /nfs/dbraw/zinc/78/96/28/1065789628.db2.gz QDJBGPWVXCKVLL-ZDUSSCGKSA-N 0 0 453.174 4.827 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(C)CC1 ZINC001360748548 1065789810 /nfs/dbraw/zinc/78/98/10/1065789810.db2.gz BGEGVHUDYFLSGF-ZWKOTPCHSA-N 0 0 473.593 4.803 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NCC2(c3ccc(Br)cc3)CC2)n1 ZINC001439120211 1065790018 /nfs/dbraw/zinc/79/00/18/1065790018.db2.gz ZBCNHKIOPSGOPY-UHFFFAOYSA-N 0 0 453.178 4.587 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCCS1 ZINC001360748675 1065790276 /nfs/dbraw/zinc/79/02/76/1065790276.db2.gz DJKLXDWZJCNSNY-BXWFABGCSA-N 0 0 487.567 4.526 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)NC2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001439122769 1065790716 /nfs/dbraw/zinc/79/07/16/1065790716.db2.gz DYIPXNCIZIOXJE-WMZOPIPTSA-N 0 0 456.505 4.637 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360749037 1065791425 /nfs/dbraw/zinc/79/14/25/1065791425.db2.gz KOVVGYQRLMEVNR-ACZWYYKOSA-N 0 0 469.527 4.847 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cs1 ZINC001439133859 1065791597 /nfs/dbraw/zinc/79/15/97/1065791597.db2.gz ILVFVTMJXZFTBD-LDLYASANSA-N 0 0 459.637 4.587 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439135336 1065792046 /nfs/dbraw/zinc/79/20/46/1065792046.db2.gz NIAXKULCCIBGKT-PZAJDKFQSA-N 0 0 456.410 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)[C@@H]2C1 ZINC001439136907 1065792087 /nfs/dbraw/zinc/79/20/87/1065792087.db2.gz TYDNOUCJZSWINK-OWZKRDHZSA-N 0 0 458.643 4.890 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1Cc1nccc(C(F)F)n1 ZINC001360749360 1065792085 /nfs/dbraw/zinc/79/20/85/1065792085.db2.gz DBQLWHMLTCTDBY-AWEZNQCLSA-N 0 0 478.544 4.665 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1c(F)cc(F)cc1F ZINC001439146837 1065792526 /nfs/dbraw/zinc/79/25/26/1065792526.db2.gz BCRFZWZWNFYCSR-UHFFFAOYSA-N 0 0 454.477 4.760 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360749650 1065792558 /nfs/dbraw/zinc/79/25/58/1065792558.db2.gz PBSSZTFJGVILCN-CPLUKWAASA-N 0 0 469.527 4.847 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360749649 1065792711 /nfs/dbraw/zinc/79/27/11/1065792711.db2.gz PBSSZTFJGVILCN-ACZWYYKOSA-N 0 0 469.527 4.847 20 0 JJADRN CC(C)Cn1c(SCC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nnc1-c1ccc(Cl)cc1Cl ZINC001439152871 1065793055 /nfs/dbraw/zinc/79/30/55/1065793055.db2.gz XKDZQKFJILWPPL-UXLLHSPISA-N 0 0 481.449 4.707 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1 ZINC001439160425 1065793342 /nfs/dbraw/zinc/79/33/42/1065793342.db2.gz NRKCGGAYWWQYGA-UHFFFAOYSA-N 0 0 458.331 4.591 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccsc1 ZINC001360749986 1065793479 /nfs/dbraw/zinc/79/34/79/1065793479.db2.gz RWEZYGLRJPBPBI-QGZVFWFLSA-N 0 0 487.601 4.724 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2cc(Br)cc(OC)c2)CC1=O ZINC001439159066 1065793518 /nfs/dbraw/zinc/79/35/18/1065793518.db2.gz JURYVGZYDSLRGS-WBVHZDCISA-N 0 0 459.384 4.641 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(Nc2cnn(C)c2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360749885 1065793702 /nfs/dbraw/zinc/79/37/02/1065793702.db2.gz IUGWLTSPYGJYAA-KRWDZBQOSA-N 0 0 497.575 4.602 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2cc(Br)cc(OC)c2)CC1=O ZINC001439159058 1065793571 /nfs/dbraw/zinc/79/35/71/1065793571.db2.gz JURYVGZYDSLRGS-RDJZCZTQSA-N 0 0 459.384 4.641 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2cnn(C)c2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360749886 1065793756 /nfs/dbraw/zinc/79/37/56/1065793756.db2.gz IUGWLTSPYGJYAA-QGZVFWFLSA-N 0 0 497.575 4.602 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360749912 1065793771 /nfs/dbraw/zinc/79/37/71/1065793771.db2.gz JEJVZMJANDOGKF-VXQVSLNISA-N 0 0 460.594 4.502 20 0 JJADRN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001439172012 1065793879 /nfs/dbraw/zinc/79/38/79/1065793879.db2.gz CCUNFGGXPJCTKG-CZUORRHYSA-N 0 0 459.262 4.866 20 0 JJADRN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001439172009 1065793902 /nfs/dbraw/zinc/79/39/02/1065793902.db2.gz CCUNFGGXPJCTKG-CJNGLKHVSA-N 0 0 459.262 4.866 20 0 JJADRN CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccccc1OCc1ccccc1Cl ZINC001439176852 1065795040 /nfs/dbraw/zinc/79/50/40/1065795040.db2.gz SGBCZMGDLRNNKC-UHFFFAOYSA-N 0 0 457.979 4.685 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC001439182724 1065795694 /nfs/dbraw/zinc/79/56/94/1065795694.db2.gz YIYBMNIOXSYWEF-RXVVDRJESA-N 0 0 459.468 4.778 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)c1ccc(=O)n(C)n1 ZINC001439185011 1065795976 /nfs/dbraw/zinc/79/59/76/1065795976.db2.gz WMWQQAYTEFTTJX-UHFFFAOYSA-N 0 0 452.725 4.805 20 0 JJADRN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001439190009 1065796150 /nfs/dbraw/zinc/79/61/50/1065796150.db2.gz IJDCKOMMIFFRFY-INIZCTEOSA-N 0 0 455.324 4.731 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCc1cnn(C)c1 ZINC001360750871 1065796221 /nfs/dbraw/zinc/79/62/21/1065796221.db2.gz RARPKUWFCLEBPM-GQIGUUNPSA-N 0 0 480.510 4.558 20 0 JJADRN O=C(NCc1cc(Br)c2ccccc2c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001439191557 1065796446 /nfs/dbraw/zinc/79/64/46/1065796446.db2.gz GQZWZVPEWCSZPR-IBGZPJMESA-N 0 0 457.393 4.975 20 0 JJADRN O=C(NCc1cc(Br)c2ccccc2c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001439191558 1065796479 /nfs/dbraw/zinc/79/64/79/1065796479.db2.gz GQZWZVPEWCSZPR-LJQANCHMSA-N 0 0 457.393 4.975 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360751018 1065796784 /nfs/dbraw/zinc/79/67/84/1065796784.db2.gz TVUNOCNZXIRHMN-IXDOHACOSA-N 0 0 473.618 4.973 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1cc(Br)c2ccccc2c1 ZINC001439198360 1065796810 /nfs/dbraw/zinc/79/68/10/1065796810.db2.gz XEWFKNRJXBEPNG-NRFANRHFSA-N 0 0 453.336 4.802 20 0 JJADRN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1scc(Br)c1Br ZINC001439196187 1065797076 /nfs/dbraw/zinc/79/70/76/1065797076.db2.gz ZQGOHYDUWNSGGN-NSHDSACASA-N 0 0 455.212 4.761 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCn1cncn1 ZINC001360751166 1065797193 /nfs/dbraw/zinc/79/71/93/1065797193.db2.gz VXJSVXCFHXSOTE-JKSUJKDBSA-N 0 0 457.991 4.622 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC3(CCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001360751341 1065797406 /nfs/dbraw/zinc/79/74/06/1065797406.db2.gz ZGZJEPDNHGDIPE-HNNXBMFYSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[C@@H]1CCCCO1 ZINC001360751326 1065797420 /nfs/dbraw/zinc/79/74/20/1065797420.db2.gz YXBLYWSSQXUPME-ZVDOUQERSA-N 0 0 460.594 4.910 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1cc(Br)c2ccccc2c1 ZINC001439198377 1065797491 /nfs/dbraw/zinc/79/74/91/1065797491.db2.gz XEWFKNRJXBEPNG-OAQYLSRUSA-N 0 0 453.336 4.802 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC001439203185 1065798034 /nfs/dbraw/zinc/79/80/34/1065798034.db2.gz KCYJBYKQWGGGEL-UHFFFAOYSA-N 0 0 456.896 4.920 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C)nc3onc(C(C)C)c32)c(Br)cc1F ZINC001360751905 1065798224 /nfs/dbraw/zinc/79/82/24/1065798224.db2.gz DVYVGSGUCADFFA-UHFFFAOYSA-N 0 0 450.264 4.595 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1CCNC(=O)C(C)(C)C ZINC001360753300 1065798744 /nfs/dbraw/zinc/79/87/44/1065798744.db2.gz ANMVWGMWHNUQSF-MRXNPFEDSA-N 0 0 476.046 4.932 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001439215382 1065799443 /nfs/dbraw/zinc/79/94/43/1065799443.db2.gz MPUAMCFJNRHZNL-SFHVURJKSA-N 0 0 456.446 4.804 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001439218629 1065799868 /nfs/dbraw/zinc/79/98/68/1065799868.db2.gz OSEYJYHXMNDLTG-SKWUIDRYSA-N 0 0 451.405 4.562 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)O[C@@H](C)C2 ZINC001439220584 1065800847 /nfs/dbraw/zinc/80/08/47/1065800847.db2.gz WYFTYDIQKJIDTA-NBIWHTTOSA-N 0 0 472.626 4.522 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H]1CCCC1(C)C ZINC001360753829 1065801249 /nfs/dbraw/zinc/80/12/49/1065801249.db2.gz JPQYAVHGXZEZQN-OKZBNKHCSA-N 0 0 483.078 4.767 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1 ZINC001360754026 1065801978 /nfs/dbraw/zinc/80/19/78/1065801978.db2.gz NBYOZRJXCSRDIT-WBVHZDCISA-N 0 0 459.978 4.630 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCn2ccnc2C1 ZINC001360754064 1065802208 /nfs/dbraw/zinc/80/22/08/1065802208.db2.gz NSFORNIGYIKSSZ-JKSUJKDBSA-N 0 0 464.948 4.622 20 0 JJADRN O=C(OCc1cc(Br)ccc1Cl)[C@@H]1CCCN1c1ncnc2sccc21 ZINC001439228884 1065802328 /nfs/dbraw/zinc/80/23/28/1065802328.db2.gz ZSPLFEAOEHWSPI-HNNXBMFYSA-N 0 0 452.761 4.819 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCn2ccnc2C1 ZINC001360754061 1065802381 /nfs/dbraw/zinc/80/23/81/1065802381.db2.gz NSFORNIGYIKSSZ-CVEARBPZSA-N 0 0 464.948 4.622 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1CCC(=O)N1CCCCC1 ZINC001360754102 1065802997 /nfs/dbraw/zinc/80/29/97/1065802997.db2.gz OMMGGSFQFJQJIL-QGZVFWFLSA-N 0 0 489.045 4.567 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1C[C@@](C)(O)c1ccco1 ZINC001360754223 1065803606 /nfs/dbraw/zinc/80/36/06/1065803606.db2.gz PWHGSRJAMZWQQA-IVZQSRNASA-N 0 0 473.986 4.665 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCOC2)n1CCCC1CCOCC1 ZINC001360754402 1065804260 /nfs/dbraw/zinc/80/42/60/1065804260.db2.gz TZKFQQCJTZQMKW-UYAOXDASSA-N 0 0 463.022 4.751 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439248050 1065804421 /nfs/dbraw/zinc/80/44/21/1065804421.db2.gz JMZLYKXFJNKJMO-QGZVFWFLSA-N 0 0 451.995 4.796 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O ZINC001360754446 1065804982 /nfs/dbraw/zinc/80/49/82/1065804982.db2.gz UUADNEIQWOUEFZ-VQIMIIECSA-N 0 0 469.051 4.521 20 0 JJADRN C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CC=CCC1)N1CCOCC1 ZINC001360754499 1065805001 /nfs/dbraw/zinc/80/50/01/1065805001.db2.gz VVPWKTWQCXNZMX-ACRUOGEOSA-N 0 0 474.049 4.585 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001360754440 1065805246 /nfs/dbraw/zinc/80/52/46/1065805246.db2.gz UPZASCYUZWWDHV-MRXNPFEDSA-N 0 0 460.026 4.949 20 0 JJADRN 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C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439270836 1065807695 /nfs/dbraw/zinc/80/76/95/1065807695.db2.gz BDLDQSAYQKGPHV-ZIAGYGMSSA-N 0 0 461.347 4.550 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCCOCC(F)F ZINC001360755161 1065808034 /nfs/dbraw/zinc/80/80/34/1065808034.db2.gz ADVJQMGNILDGPO-PKOBYXMFSA-N 0 0 499.002 4.875 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1CCc1nnc2n1CCCCC2 ZINC001360755187 1065808046 /nfs/dbraw/zinc/80/80/46/1065808046.db2.gz AIRBRYUFEOAVEK-MRXNPFEDSA-N 0 0 493.990 4.724 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCC(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC001360755327 1065808278 /nfs/dbraw/zinc/80/82/78/1065808278.db2.gz WXAYCQXCJPDTHO-UHFFFAOYSA-N 0 0 456.586 4.878 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(N)=O)CC2)n1CC(C)(C)c1cccs1 ZINC001360755559 1065808915 /nfs/dbraw/zinc/80/89/15/1065808915.db2.gz FTVFDBLJMAZOHF-INIZCTEOSA-N 0 0 488.057 4.813 20 0 JJADRN C[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272219 1065808879 /nfs/dbraw/zinc/80/88/79/1065808879.db2.gz JTWIAXDCYCELRV-IEBWSBKVSA-N 0 0 480.696 4.943 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439275556 1065809872 /nfs/dbraw/zinc/80/98/72/1065809872.db2.gz VZFBWRYCCYTURX-SJLPKXTDSA-N 0 0 478.058 4.939 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439275922 1065810193 /nfs/dbraw/zinc/81/01/93/1065810193.db2.gz YYRAQYWRGIHOCE-WOJBJXKFSA-N 0 0 470.614 4.530 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CN(C)C1=O ZINC001360755687 1065810338 /nfs/dbraw/zinc/81/03/38/1065810338.db2.gz HWMIFWXYEYCNPV-OSPHWJPCSA-N 0 0 471.989 4.558 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCO1 ZINC001360755789 1065810941 /nfs/dbraw/zinc/81/09/41/1065810941.db2.gz JJTMNZQQOZVQIG-KBXCAEBGSA-N 0 0 486.922 4.598 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001360755831 1065810984 /nfs/dbraw/zinc/81/09/84/1065810984.db2.gz JXFYJOQBEGZPOI-KRWDZBQOSA-N 0 0 460.022 4.732 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360755791 1065811067 /nfs/dbraw/zinc/81/10/67/1065811067.db2.gz JLLNTKRCHPSQQY-FHWLQOOXSA-N 0 0 495.089 4.911 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)cc2)ccn1 ZINC001439281145 1065811222 /nfs/dbraw/zinc/81/12/22/1065811222.db2.gz PNHUTIZMBPBPCL-UHFFFAOYSA-N 0 0 456.502 4.774 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC(=O)N1CCCCC1 ZINC001360755847 1065811487 /nfs/dbraw/zinc/81/14/87/1065811487.db2.gz KDBSXJYLDVHVCD-FHWLQOOXSA-N 0 0 460.022 4.709 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC2CCOCC2)n1CC[C@H]1CCOC1 ZINC001360755935 1065811507 /nfs/dbraw/zinc/81/15/07/1065811507.db2.gz LVDHPNOEIVUOGG-QUCCMNQESA-N 0 0 463.022 4.751 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCO2)n1CCCc1nccs1 ZINC001360755899 1065811645 /nfs/dbraw/zinc/81/16/45/1065811645.db2.gz LBSMYXGIQRTJPM-QFBILLFUSA-N 0 0 462.019 4.776 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)c1ccccc1OC(F)(F)F ZINC001439290115 1065811664 /nfs/dbraw/zinc/81/16/64/1065811664.db2.gz HMSDGXHQZJWJHS-QRWLVFNGSA-N 0 0 453.457 4.815 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N(c2ccc(C)cc2)C2CCC2)cc1 ZINC001439285890 1065811742 /nfs/dbraw/zinc/81/17/42/1065811742.db2.gz FZZDIAITPQCGQK-UHFFFAOYSA-N 0 0 454.592 4.819 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1 ZINC001360755862 1065811695 /nfs/dbraw/zinc/81/16/95/1065811695.db2.gz KLVKQVNAGQLLGP-QGZVFWFLSA-N 0 0 454.962 4.861 20 0 JJADRN CS(=O)(=O)C1CCC(CNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC001439290915 1065812574 /nfs/dbraw/zinc/81/25/74/1065812574.db2.gz YPCHPEMJSQOZFP-UHFFFAOYSA-N 0 0 455.498 4.831 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCOC1 ZINC001360756071 1065812911 /nfs/dbraw/zinc/81/29/11/1065812911.db2.gz NZPMWTIFDMJKSS-ROUUACIJSA-N 0 0 451.011 4.749 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CCCSC1 ZINC001360756081 1065812966 /nfs/dbraw/zinc/81/29/66/1065812966.db2.gz OEPWQBLWUPMGFU-MSOLQXFVSA-N 0 0 473.046 4.684 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CC[C@H](F)C1 ZINC001360756158 1065813054 /nfs/dbraw/zinc/81/30/54/1065813054.db2.gz PLFFILKWWTWQFT-LNLFQRSKSA-N 0 0 458.969 4.679 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)NCc2cc(Br)ccc2Cl)c1 ZINC001439306053 1065813058 /nfs/dbraw/zinc/81/30/58/1065813058.db2.gz GUQPXGQYYKAPNV-UHFFFAOYSA-N 0 0 454.748 4.753 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(=O)NCc1ccco1 ZINC001360756221 1065813685 /nfs/dbraw/zinc/81/36/85/1065813685.db2.gz QMOKUUCIWHUXCN-ROUUACIJSA-N 0 0 486.016 4.853 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360756506 1065815289 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CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001439580622 1065842477 /nfs/dbraw/zinc/84/24/77/1065842477.db2.gz AMRNPVUNZLMARQ-HLAWJBBLSA-N 0 0 472.626 4.865 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC1CCS(=O)(=O)CC1 ZINC001360763112 1065842638 /nfs/dbraw/zinc/84/26/38/1065842638.db2.gz QKFTUNNWEZBHEY-IRXDYDNUSA-N 0 0 492.642 4.641 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccc(Br)c(Cl)c1 ZINC001439582483 1065843202 /nfs/dbraw/zinc/84/32/02/1065843202.db2.gz ZPFTYMKQYDDKFI-ZNNBYXKUSA-N 0 0 458.139 4.585 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccc(Br)c(Cl)c1 ZINC001439582504 1065843271 /nfs/dbraw/zinc/84/32/71/1065843271.db2.gz ZQXWFOQEZRLRGI-RDTXWAMCSA-N 0 0 458.780 4.562 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@@H]1C ZINC001360763331 1065843460 /nfs/dbraw/zinc/84/34/60/1065843460.db2.gz USLKTABMWZMUPB-ZWOKBUDYSA-N 0 0 473.593 4.974 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccc(Br)c(Cl)c1 ZINC001439582479 1065843437 /nfs/dbraw/zinc/84/34/37/1065843437.db2.gz ZPFTYMKQYDDKFI-GPCFVJJQSA-N 0 0 458.139 4.585 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC001439582976 1065844082 /nfs/dbraw/zinc/84/40/82/1065844082.db2.gz HGNWSRILVWQODY-QGZVFWFLSA-N 0 0 451.542 4.970 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360763640 1065843966 /nfs/dbraw/zinc/84/39/66/1065843966.db2.gz ZPAOMLHZAATSJW-RBUKOAKNSA-N 0 0 492.089 4.806 20 0 JJADRN CN(C)c1cc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)cc(C(F)(F)F)c1 ZINC001439585117 1065844750 /nfs/dbraw/zinc/84/47/50/1065844750.db2.gz HZJNSFUZZFMGPQ-UHFFFAOYSA-N 0 0 450.411 4.976 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cscn2)n1CC(F)(F)Br ZINC001360764688 1065845680 /nfs/dbraw/zinc/84/56/80/1065845680.db2.gz DQGCBQVNIQBYPK-NSHDSACASA-N 0 0 476.322 4.638 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360764812 1065846276 /nfs/dbraw/zinc/84/62/76/1065846276.db2.gz FTZPJYSZMNQJME-GOSISDBHSA-N 0 0 459.610 4.688 20 0 JJADRN CC(C)c1nc2ccccn2c1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001439593889 1065846321 /nfs/dbraw/zinc/84/63/21/1065846321.db2.gz DXCGMRDXHVNXPR-UHFFFAOYSA-N 0 0 454.596 4.663 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1c(C(C)C)nc2ccccn21 ZINC001439594875 1065846782 /nfs/dbraw/zinc/84/67/82/1065846782.db2.gz FUFBIGWIQWLGCR-GOSISDBHSA-N 0 0 454.596 4.582 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1([S@@](C)=O)CCC1 ZINC001360764896 1065846848 /nfs/dbraw/zinc/84/68/48/1065846848.db2.gz HFQBQJGDHSJOBU-USCOGLTBSA-N 0 0 460.619 4.651 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCCC(=O)N(C)C ZINC001360764999 1065847685 /nfs/dbraw/zinc/84/76/85/1065847685.db2.gz JGOMBEMZSKBDPQ-OAHLLOKOSA-N 0 0 480.009 4.777 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1c(Cl)cc(Br)cc1Cl ZINC001439616988 1065848464 /nfs/dbraw/zinc/84/84/64/1065848464.db2.gz WJZKTAGDTWDHPA-UHFFFAOYSA-N 0 0 456.167 4.742 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1cc(Cl)cc2c1OCC2 ZINC001439617727 1065848481 /nfs/dbraw/zinc/84/84/81/1065848481.db2.gz YLUJBYCIPIKBOH-JTQLQIEISA-N 0 0 453.276 4.938 20 0 JJADRN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618828 1065848511 /nfs/dbraw/zinc/84/85/11/1065848511.db2.gz ZNTUYAAUGQAHAF-OAQYLSRUSA-N 0 0 458.400 4.504 20 0 JJADRN CCCN(C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)[C@H](C)C(=O)OC ZINC001439625650 1065849008 /nfs/dbraw/zinc/84/90/08/1065849008.db2.gz FSWAJOCPOYPIML-CQSZACIVSA-N 0 0 454.350 4.995 20 0 JJADRN O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1ncc(F)cc1F ZINC001439625655 1065849152 /nfs/dbraw/zinc/84/91/52/1065849152.db2.gz FYNJTJXFITXNGQ-UHFFFAOYSA-N 0 0 450.342 4.762 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360765392 1065849655 /nfs/dbraw/zinc/84/96/55/1065849655.db2.gz QGUZYXYGEVWYPL-RBUKOAKNSA-N 0 0 478.634 4.563 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001439631183 1065850333 /nfs/dbraw/zinc/85/03/33/1065850333.db2.gz WXTBAULBGHNAEP-UHFFFAOYSA-N 0 0 455.327 4.554 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCC[C@H]3OCCc4ccccc43)cc2)c(C)c1Br ZINC001439631062 1065850458 /nfs/dbraw/zinc/85/04/58/1065850458.db2.gz XGHDFMKXYOUQOJ-OAQYLSRUSA-N 0 0 454.368 4.686 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCC[C@@H]3OCCc4ccccc43)cc2)c(C)c1Br ZINC001439631057 1065850486 /nfs/dbraw/zinc/85/04/86/1065850486.db2.gz XGHDFMKXYOUQOJ-NRFANRHFSA-N 0 0 454.368 4.686 20 0 JJADRN CN(C)c1ncccc1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21 ZINC001439629402 1065850594 /nfs/dbraw/zinc/85/05/94/1065850594.db2.gz SLINTEHOSYZGLY-UHFFFAOYSA-N 0 0 457.431 4.550 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439635884 1065851059 /nfs/dbraw/zinc/85/10/59/1065851059.db2.gz DKVXASXRLCWOOB-CQSZACIVSA-N 0 0 453.905 4.752 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCc1ccsc1 ZINC001360765648 1065851163 /nfs/dbraw/zinc/85/11/63/1065851163.db2.gz WCPWJFBBBQSDLY-KRWDZBQOSA-N 0 0 474.602 4.697 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360765708 1065851187 /nfs/dbraw/zinc/85/11/87/1065851187.db2.gz WZVGRPWIYRGTGM-WOGXIUBCSA-N 0 0 473.980 4.793 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1cccc(C(=O)c2ccco2)c1 ZINC001439638764 1065851717 /nfs/dbraw/zinc/85/17/17/1065851717.db2.gz RDCDLVCSZQDIJC-UHFFFAOYSA-N 0 0 458.436 4.614 20 0 JJADRN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1OCc1ccccc1 ZINC001439646469 1065852895 /nfs/dbraw/zinc/85/28/95/1065852895.db2.gz PUKVXLSQOJBPML-GOSISDBHSA-N 0 0 450.560 4.537 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)oc3C)cc12 ZINC001439646609 1065852939 /nfs/dbraw/zinc/85/29/39/1065852939.db2.gz BZUBZNXGHGUINI-UHFFFAOYSA-N 0 0 458.396 4.746 20 0 JJADRN Cc1cc2nc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)sc2cc1F ZINC001439648081 1065852979 /nfs/dbraw/zinc/85/29/79/1065852979.db2.gz SQDBZYWZIWSHQZ-UHFFFAOYSA-N 0 0 456.812 4.644 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001360766717 1065853315 /nfs/dbraw/zinc/85/33/15/1065853315.db2.gz BLGYMQJNBZDFLP-PTLVVNQVSA-N 0 0 474.621 4.871 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001360766716 1065853463 /nfs/dbraw/zinc/85/34/63/1065853463.db2.gz BLGYMQJNBZDFLP-LEEZEASISA-N 0 0 474.621 4.871 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC001439658776 1065853480 /nfs/dbraw/zinc/85/34/80/1065853480.db2.gz BLQPAZRZTINABL-UHFFFAOYSA-N 0 0 452.532 4.597 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360766776 1065854155 /nfs/dbraw/zinc/85/41/55/1065854155.db2.gz CPMWYONFHUNQBU-KAGYGMCKSA-N 0 0 471.621 4.857 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCc1ccncc1 ZINC001360766721 1065854178 /nfs/dbraw/zinc/85/41/78/1065854178.db2.gz BLINLBBWFVGPPW-MRXNPFEDSA-N 0 0 461.463 4.894 20 0 JJADRN Cn1cc(Br)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1=O ZINC001439669267 1065854404 /nfs/dbraw/zinc/85/44/04/1065854404.db2.gz XEZZETSDSFEXIP-UHFFFAOYSA-N 0 0 452.283 4.754 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC001439668442 1065854534 /nfs/dbraw/zinc/85/45/34/1065854534.db2.gz DJDXHAHMVYGLQF-WZQKQDCOSA-N 0 0 458.805 4.981 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(C(N)=O)nc1 ZINC001360766825 1065854705 /nfs/dbraw/zinc/85/47/05/1065854705.db2.gz DGNQBVXFBNYGCA-ZWKOTPCHSA-N 0 0 480.588 4.504 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)c1C ZINC001439674619 1065855023 /nfs/dbraw/zinc/85/50/23/1065855023.db2.gz HJJAJEXEHGZAOE-UHFFFAOYSA-N 0 0 459.521 4.880 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767011 1065855315 /nfs/dbraw/zinc/85/53/15/1065855315.db2.gz HSJIODYMKFWZTF-QHAWAJNXSA-N 0 0 475.653 4.929 20 0 JJADRN O=C(COc1ccccc1Br)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001439677522 1065855785 /nfs/dbraw/zinc/85/57/85/1065855785.db2.gz OSHLDYBDZRVOMR-UHFFFAOYSA-N 0 0 458.327 4.905 20 0 JJADRN Cn1cc([C@@H]2CSCCCN2C(=O)Cc2cccc(OCc3ccccc3Cl)c2)cn1 ZINC001439676600 1065855812 /nfs/dbraw/zinc/85/58/12/1065855812.db2.gz HPWSZQYHRXVABY-QHCPKHFHSA-N 0 0 456.011 4.902 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)n1 ZINC001439677529 1065855875 /nfs/dbraw/zinc/85/58/75/1065855875.db2.gz OVRDZEWPRJKHDW-UHFFFAOYSA-N 0 0 459.521 4.880 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001439677801 1065855942 /nfs/dbraw/zinc/85/59/42/1065855942.db2.gz IHHQZKBWURCBIE-IMWIBFENSA-N 0 0 450.579 4.971 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360767274 1065856088 /nfs/dbraw/zinc/85/60/88/1065856088.db2.gz MSWQJSDQTYISKQ-ABSDTBQOSA-N 0 0 485.560 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)c1cccc(C)c1 ZINC001545924126 1065856465 /nfs/dbraw/zinc/85/64/65/1065856465.db2.gz QDNCENDHEZRGIO-NRFANRHFSA-N 0 0 494.709 4.692 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360767555 1065856697 /nfs/dbraw/zinc/85/66/97/1065856697.db2.gz QTMFFPHFPOKFGH-QVKFZJNVSA-N 0 0 456.484 4.663 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1CCc1ccc(Cl)s1 ZINC001360767429 1065856765 /nfs/dbraw/zinc/85/67/65/1065856765.db2.gz PETIKGFZBIYKJL-MRXNPFEDSA-N 0 0 487.004 4.984 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(Cl)ccc1I ZINC001439684509 1065857097 /nfs/dbraw/zinc/85/70/97/1065857097.db2.gz VIOSVESRONLUKT-SNUQEOBHSA-N 0 0 455.723 4.935 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCc1cn2ccccc2n1 ZINC001360767835 1065857274 /nfs/dbraw/zinc/85/72/74/1065857274.db2.gz UOLVLNDTPASLMU-IBGZPJMESA-N 0 0 480.588 4.699 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS2)CC1 ZINC001360767922 1065857357 /nfs/dbraw/zinc/85/73/57/1065857357.db2.gz VPUYQLOFZPREGF-QUCCMNQESA-N 0 0 489.661 4.536 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccccc3)cs2)cc1OC ZINC001439687238 1065858073 /nfs/dbraw/zinc/85/80/73/1065858073.db2.gz TZAHXFWOHSEQNU-FQEVSTJZSA-N 0 0 454.548 4.640 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001360768400 1065858049 /nfs/dbraw/zinc/85/80/49/1065858049.db2.gz LSRSGQZCYUZYAO-FQEVSTJZSA-N 0 0 451.441 4.833 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001439690668 1065858165 /nfs/dbraw/zinc/85/81/65/1065858165.db2.gz FCLKBMKNFJIBPJ-IBVKSMDESA-N 0 0 453.583 4.879 20 0 JJADRN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)cc1 ZINC001439694820 1065858719 /nfs/dbraw/zinc/85/87/19/1065858719.db2.gz OHMLEGNGNNEZEW-JTQLQIEISA-N 0 0 450.383 4.865 20 0 JJADRN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001439692821 1065858760 /nfs/dbraw/zinc/85/87/60/1065858760.db2.gz JWNPDEDLJNBUQS-DNQXCXABSA-N 0 0 451.613 4.908 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cc(F)ccc1F ZINC001360768822 1065858787 /nfs/dbraw/zinc/85/87/87/1065858787.db2.gz XPQSGTMBXSTCSX-QFIPXVFZSA-N 0 0 450.551 4.799 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CC[S@](=O)C(C)(C)C ZINC001360768990 1065858980 /nfs/dbraw/zinc/85/89/80/1065858980.db2.gz BNDWSKQZCQSUPK-MYGHRHJXSA-N 0 0 450.624 4.731 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)nc2)C1 ZINC001360768932 1065859145 /nfs/dbraw/zinc/85/91/45/1065859145.db2.gz AAEFYOCZIPEMBC-AZUAARDMSA-N 0 0 452.578 4.549 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001439695643 1065859513 /nfs/dbraw/zinc/85/95/13/1065859513.db2.gz YAUJWDYYMXIALO-QFIPXVFZSA-N 0 0 459.590 4.959 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769031 1065859849 /nfs/dbraw/zinc/85/98/49/1065859849.db2.gz CJRWOMCWERANPC-RXFWQSSRSA-N 0 0 473.637 4.685 20 0 JJADRN COc1cc2ccc(C(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc2cc1OC ZINC001439697186 1065860018 /nfs/dbraw/zinc/86/00/18/1065860018.db2.gz VSGSWOPJGREZCK-RXFWQSSRSA-N 0 0 454.567 4.767 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCC(C)(F)F ZINC001360769151 1065860379 /nfs/dbraw/zinc/86/03/79/1065860379.db2.gz DYCSTINNGJBTKL-WMZOPIPTSA-N 0 0 452.521 4.855 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439700059 1065860778 /nfs/dbraw/zinc/86/07/78/1065860778.db2.gz LLTMOSBZIPQDNB-YJBOKZPZSA-N 0 0 453.421 4.780 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 ZINC001360769342 1065861001 /nfs/dbraw/zinc/86/10/01/1065861001.db2.gz HPJGZHPEFMIJTQ-UPTQXZAWSA-N 0 0 462.635 4.731 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC(C)(C)O ZINC001360769257 1065861065 /nfs/dbraw/zinc/86/10/65/1065861065.db2.gz GNMSDMIDUGGTPK-OAHLLOKOSA-N 0 0 458.500 4.887 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001439701431 1065861398 /nfs/dbraw/zinc/86/13/98/1065861398.db2.gz HWAUSUFBLVERGB-DNQXCXABSA-N 0 0 459.546 4.581 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC[C@H](Cc2nc(C)no2)C1 ZINC001439708489 1065862379 /nfs/dbraw/zinc/86/23/79/1065862379.db2.gz JZXUQYFLWWXOFW-OAHLLOKOSA-N 0 0 458.971 4.749 20 0 JJADRN COc1cccc(C2(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)OC(C)(C)C)CCCC2)c1 ZINC001439708426 1065862456 /nfs/dbraw/zinc/86/24/56/1065862456.db2.gz XPVFBJJHDCLPOC-DHIUTWEWSA-N 0 0 450.579 4.814 20 0 JJADRN COc1cccc2c1OCC(C(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)=C2 ZINC001439706808 1065862532 /nfs/dbraw/zinc/86/25/32/1065862532.db2.gz QCNKLWHHQNDWBY-OAQYLSRUSA-N 0 0 456.583 4.547 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1ccccn1 ZINC001360769563 1065862649 /nfs/dbraw/zinc/86/26/49/1065862649.db2.gz KLKFFBUSXRYDLB-MRXNPFEDSA-N 0 0 463.479 4.974 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001439709171 1065863065 /nfs/dbraw/zinc/86/30/65/1065863065.db2.gz VTHGXRMJKWVJGQ-FQEVSTJZSA-N 0 0 459.587 4.945 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCCn1cc(Br)cn1 ZINC001360769919 1065863131 /nfs/dbraw/zinc/86/31/31/1065863131.db2.gz PXOQNJJSDKJTPQ-IKGGRYGDSA-N 0 0 491.409 4.841 20 0 JJADRN COc1cccc(F)c1CNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001439715848 1065863969 /nfs/dbraw/zinc/86/39/69/1065863969.db2.gz MYLGSQVZFJIOPJ-CQSZACIVSA-N 0 0 455.311 4.714 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001439731349 1065865225 /nfs/dbraw/zinc/86/52/25/1065865225.db2.gz GLVXKKVWUFWQLU-HPGBDJQBSA-N 0 0 457.404 4.582 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CCNC(=O)OC(C)(C)C ZINC001360770117 1065865299 /nfs/dbraw/zinc/86/52/99/1065865299.db2.gz TXRMFXGTWWIKDB-QGZVFWFLSA-N 0 0 461.582 4.708 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2noc3c2CCc2ccccc2-3)CC1 ZINC001439732134 1065866005 /nfs/dbraw/zinc/86/60/05/1065866005.db2.gz MPSZPVIEOYCQJI-UHFFFAOYSA-N 0 0 453.583 4.843 20 0 JJADRN CC1(C)CC[C@@H](CCNC(=O)CCc2cc(Br)c(Br)s2)OC1 ZINC001439731524 1065866034 /nfs/dbraw/zinc/86/60/34/1065866034.db2.gz DAJARQVVPNDDAB-NSHDSACASA-N 0 0 453.240 4.917 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1cccc(Br)n1 ZINC001360770183 1065866125 /nfs/dbraw/zinc/86/61/25/1065866125.db2.gz UYYSPEUPRKRNRA-OAGGEKHMSA-N 0 0 474.378 4.998 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cc(Br)cn2)C1 ZINC001360770357 1065866194 /nfs/dbraw/zinc/86/61/94/1065866194.db2.gz XOMNQFWMQCURLN-SJORKVTESA-N 0 0 491.409 4.699 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)s1 ZINC001360770308 1065866208 /nfs/dbraw/zinc/86/62/08/1065866208.db2.gz AZAFQAPKZQZAOH-UHFFFAOYSA-N 0 0 451.976 4.752 20 0 JJADRN CC[S@](=O)(=NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)c1cccc(Cl)c1 ZINC001439733361 1065866667 /nfs/dbraw/zinc/86/66/67/1065866667.db2.gz NHVOYHHVWYRHDM-IYJVBRSBSA-N 0 0 455.761 4.602 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001439734280 1065867102 /nfs/dbraw/zinc/86/71/02/1065867102.db2.gz YVUUDTBDXYILAQ-HNNXBMFYSA-N 0 0 458.352 4.725 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001439735654 1065867118 /nfs/dbraw/zinc/86/71/18/1065867118.db2.gz XBVDVKDDGDRMJQ-UHFFFAOYSA-N 0 0 459.631 4.572 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)/C(=C/c1ccccc1)C(F)(F)F ZINC001360770664 1065867322 /nfs/dbraw/zinc/86/73/22/1065867322.db2.gz HTWMMEUZJOQKQJ-AEUZFIIDSA-N 0 0 452.476 4.676 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)s1 ZINC001360770759 1065867431 /nfs/dbraw/zinc/86/74/31/1065867431.db2.gz KBPAKGUAFGHQRI-UHFFFAOYSA-N 0 0 456.568 4.673 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC)c(C)c1 ZINC001439738609 1065867884 /nfs/dbraw/zinc/86/78/84/1065867884.db2.gz ZYBVFAYHJNGQOH-WGDIFIGCSA-N 0 0 454.567 4.556 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)cn1 ZINC001360770985 1065868011 /nfs/dbraw/zinc/86/80/11/1065868011.db2.gz PYLDPCJZGHHKAV-AREMUKBSSA-N 0 0 451.526 4.531 20 0 JJADRN O=C(c1cccc(C(=O)N2CCCCC2)c1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001439743708 1065868705 /nfs/dbraw/zinc/86/87/05/1065868705.db2.gz BKTPGMFGRISMJA-JOCHJYFZSA-N 0 0 455.396 4.923 20 0 JJADRN CN(c1nc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cs1)c1ccccc1 ZINC001439739211 1065868894 /nfs/dbraw/zinc/86/88/94/1065868894.db2.gz RFVHXYGEXBVXRD-SFHVURJKSA-N 0 0 454.983 4.599 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001360771748 1065868953 /nfs/dbraw/zinc/86/89/53/1065868953.db2.gz DHLHYERLVRLKSY-IVZQSRNASA-N 0 0 454.954 4.775 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CC[C@H](c4nccc(C(F)(F)F)n4)C3)c2)c1 ZINC001439746752 1065869452 /nfs/dbraw/zinc/86/94/52/1065869452.db2.gz WVUHVUKRWQNSIP-FQEVSTJZSA-N 0 0 455.480 4.941 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360771887 1065869511 /nfs/dbraw/zinc/86/95/11/1065869511.db2.gz DNFSGHZMECSRIG-MVYHEMRASA-N 0 0 474.621 4.892 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCCSC1 ZINC001360771858 1065869757 /nfs/dbraw/zinc/86/97/57/1065869757.db2.gz DBKDXBYNZWTXOS-JKSUJKDBSA-N 0 0 488.551 4.594 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360772951 1065870144 /nfs/dbraw/zinc/87/01/44/1065870144.db2.gz FPNADVIVHPGLDJ-SFNKJDCFSA-N 0 0 477.556 4.581 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1Cc1ccsc1Br ZINC001360772943 1065870479 /nfs/dbraw/zinc/87/04/79/1065870479.db2.gz FJMXYLJIFIURKN-AWEZNQCLSA-N 0 0 481.391 4.656 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CC=CCC1 ZINC001360773012 1065871186 /nfs/dbraw/zinc/87/11/86/1065871186.db2.gz GEBXPCGFXJCGSB-CEXWTWQISA-N 0 0 481.538 4.986 20 0 JJADRN COCCOCCOc1cccc(NC(=O)c2cc(C)nc3ccc(Br)cc32)c1 ZINC001439758501 1065871801 /nfs/dbraw/zinc/87/18/01/1065871801.db2.gz RRCDGRCOMCJICY-UHFFFAOYSA-N 0 0 459.340 4.600 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1Cc1cccc(Br)n1 ZINC001360773815 1065872536 /nfs/dbraw/zinc/87/25/36/1065872536.db2.gz MMIPPSBSJYHSKN-CABCVRRESA-N 0 0 460.351 4.752 20 0 JJADRN O=C([C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001439759747 1065872682 /nfs/dbraw/zinc/87/26/82/1065872682.db2.gz NAYHWQHDNLZHKU-XIRDDKMYSA-N 0 0 450.295 4.567 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC001439770552 1065873106 /nfs/dbraw/zinc/87/31/06/1065873106.db2.gz IDSWGKPOPWGEHP-UHFFFAOYSA-N 0 0 451.333 4.795 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001360774370 1065873320 /nfs/dbraw/zinc/87/33/20/1065873320.db2.gz ZELGYRCWYMHGQZ-UTKZUKDTSA-N 0 0 450.000 4.709 20 0 JJADRN CCOc1cc(CCCNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)ccc1OC ZINC001360774313 1065873349 /nfs/dbraw/zinc/87/33/49/1065873349.db2.gz YQNHZBPOJPRCRW-UHFFFAOYSA-N 0 0 453.560 4.956 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Oc3ccccc3C)c2)s1 ZINC001439773363 1065873779 /nfs/dbraw/zinc/87/37/79/1065873779.db2.gz JNTXKGUAGPJBHJ-HXUWFJFHSA-N 0 0 456.589 4.949 20 0 JJADRN O=C(CCCOc1cccnc1)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439771368 1065873847 /nfs/dbraw/zinc/87/38/47/1065873847.db2.gz AIWOIFCUETWCEK-UHFFFAOYSA-N 0 0 454.324 4.894 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360774770 1065874584 /nfs/dbraw/zinc/87/45/84/1065874584.db2.gz PLQNOYUWTBVIHX-PASDCYSWSA-N 0 0 456.484 4.761 20 0 JJADRN C[C@H]1Cc2cc(NC(=O)c3cccc(Br)c3I)ccc2O1 ZINC001439777712 1065874910 /nfs/dbraw/zinc/87/49/10/1065874910.db2.gz YSVRRSARKCIDLC-VIFPVBQESA-N 0 0 458.093 4.629 20 0 JJADRN COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cn1 ZINC001439777220 1065875163 /nfs/dbraw/zinc/87/51/63/1065875163.db2.gz LAESKHBZZVHFAS-UHFFFAOYSA-N 0 0 454.324 4.676 20 0 JJADRN Cc1cc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)ccc1N1CCOCC1=O ZINC001439779965 1065875507 /nfs/dbraw/zinc/87/55/07/1065875507.db2.gz UAZWJSKBDBICFT-XMMPIXPASA-N 0 0 450.535 4.969 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncccc2N(C)C)C1 ZINC001360775016 1065876097 /nfs/dbraw/zinc/87/60/97/1065876097.db2.gz QKYNHKGTMOOOFT-WOJBJXKFSA-N 0 0 466.605 4.939 20 0 JJADRN O=C([C@H]1CCc2cc(Br)ccc21)N1CCc2cc(Br)c(F)cc2C1 ZINC001439786407 1065876105 /nfs/dbraw/zinc/87/61/05/1065876105.db2.gz FXOASJHJKRAKGK-INIZCTEOSA-N 0 0 453.149 4.965 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001439785849 1065876198 /nfs/dbraw/zinc/87/61/98/1065876198.db2.gz GSBCVXAFMGOBEF-PGRDOPGGSA-N 0 0 456.608 4.563 20 0 JJADRN CC(C)COc1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)ccc1Br ZINC001439784445 1065876278 /nfs/dbraw/zinc/87/62/78/1065876278.db2.gz FIQGLUWBPOSKNI-IBGZPJMESA-N 0 0 453.283 4.894 20 0 JJADRN Cc1nc(C)c(CC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)s1 ZINC001439787403 1065876939 /nfs/dbraw/zinc/87/69/39/1065876939.db2.gz KDUABLSDQGQXIO-IBGZPJMESA-N 0 0 454.377 4.531 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001360775343 1065877361 /nfs/dbraw/zinc/87/73/61/1065877361.db2.gz SGXSNIBXOSLGHC-RTBURBONSA-N 0 0 455.582 4.672 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360775438 1065878243 /nfs/dbraw/zinc/87/82/43/1065878243.db2.gz ULGVRYQICKFJPM-DLBZAZTESA-N 0 0 469.527 4.820 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1CCCN1CCCCCC1=O ZINC001360775638 1065878583 /nfs/dbraw/zinc/87/85/83/1065878583.db2.gz XGTNSIKQBLYINI-IBGZPJMESA-N 0 0 457.594 4.729 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCCC(C)(C)C 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LFZFCGYECOCTBQ-QZTJIDSGSA-N 0 0 454.434 4.811 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001360777042 1065880688 /nfs/dbraw/zinc/88/06/88/1065880688.db2.gz VQRNTDPTPAXTJW-INIZCTEOSA-N 0 0 456.167 4.610 20 0 JJADRN O=C(N1CCn2nc(C(F)(F)F)cc2C1)C1(c2cccc(Br)c2)CCCCC1 ZINC001439813361 1065881576 /nfs/dbraw/zinc/88/15/76/1065881576.db2.gz UNKJZVBANLUKJY-UHFFFAOYSA-N 0 0 456.306 4.909 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccs1 ZINC001360777715 1065882758 /nfs/dbraw/zinc/88/27/58/1065882758.db2.gz DMIZOZKBMORGCG-IRXDYDNUSA-N 0 0 487.601 4.770 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1ccco1 ZINC001360777927 1065883347 /nfs/dbraw/zinc/88/33/47/1065883347.db2.gz HVVVHIVFQDOJDO-HBBPJZECSA-N 0 0 482.478 4.693 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1ccco1 ZINC001360777929 1065883362 /nfs/dbraw/zinc/88/33/62/1065883362.db2.gz HVVVHIVFQDOJDO-JEZSTIGHSA-N 0 0 482.478 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CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360778406 1065884983 /nfs/dbraw/zinc/88/49/83/1065884983.db2.gz PCZILYFMXQEMOR-HLNWXESRSA-N 0 0 473.593 4.878 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C2CCC2)cc1 ZINC001439836188 1065885253 /nfs/dbraw/zinc/88/52/53/1065885253.db2.gz RQRWTWHHUJBJDU-FYYLOGMGSA-N 0 0 456.970 4.619 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1cscc1C(F)(F)F ZINC001360778470 1065885247 /nfs/dbraw/zinc/88/52/47/1065885247.db2.gz PXTWKBFTTOVRSX-LBTNJELSSA-N 0 0 484.519 4.893 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C ZINC001360778701 1065885875 /nfs/dbraw/zinc/88/58/75/1065885875.db2.gz RHJNVMQUUOHOMN-BZSNNMDCSA-N 0 0 473.593 4.707 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(OCC(C)C)cc2)C1 ZINC001439845112 1065885947 /nfs/dbraw/zinc/88/59/47/1065885947.db2.gz RZHXPQLAEWQMQV-HXUWFJFHSA-N 0 0 452.595 4.885 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC001439841799 1065885953 /nfs/dbraw/zinc/88/59/53/1065885953.db2.gz MOMITISNZFMVAZ-QRQLOZEOSA-N 0 0 456.505 4.593 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2sc(-c3ccccc3F)nc2C)C1 ZINC001439850445 1065886548 /nfs/dbraw/zinc/88/65/48/1065886548.db2.gz VOZYSZDSTCZYDV-INIZCTEOSA-N 0 0 453.539 4.757 20 0 JJADRN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001360779641 1065886966 /nfs/dbraw/zinc/88/69/66/1065886966.db2.gz NEYXPHFXEVWBDL-INIZCTEOSA-N 0 0 458.917 4.594 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)c1ccc(C(F)(F)F)cc1 ZINC001439862154 1065886927 /nfs/dbraw/zinc/88/69/27/1065886927.db2.gz ZOEIMLJYRYNZIH-QGZVFWFLSA-N 0 0 456.779 4.797 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)Nc1nc2ccc3scnc3c2s1 ZINC001439859853 1065886963 /nfs/dbraw/zinc/88/69/63/1065886963.db2.gz SSJMAWMALDJLBH-KXFIGUGUSA-N 0 0 453.286 4.756 20 0 JJADRN 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ZINC001360782800 1065893996 /nfs/dbraw/zinc/89/39/96/1065893996.db2.gz RJVLRSLMGYCSRQ-QFIPXVFZSA-N 0 0 453.292 4.747 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NC1(C(F)(F)F)CCC(F)(F)CC1 ZINC001439933078 1065894537 /nfs/dbraw/zinc/89/45/37/1065894537.db2.gz VMAFHEOFPXDRGH-SNVBAGLBSA-N 0 0 455.221 4.502 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nc3c(cc(F)cc3Br)s2)CC1 ZINC001439957963 1065896621 /nfs/dbraw/zinc/89/66/21/1065896621.db2.gz DAUQOUDEDZRPDF-UHFFFAOYSA-N 0 0 456.381 4.858 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N[C@H](CC(=O)OC)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC001439960572 1065898207 /nfs/dbraw/zinc/89/82/07/1065898207.db2.gz MTXGFNXZFIGBJP-SHCNBLLESA-N 0 0 451.441 4.547 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCCSC[C@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC001439962429 1065898664 /nfs/dbraw/zinc/89/86/64/1065898664.db2.gz BXTMRAVCJSFXBR-MRXNPFEDSA-N 0 0 452.576 4.895 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC001439962562 1065898791 /nfs/dbraw/zinc/89/87/91/1065898791.db2.gz ABOSWQDGRYKVPT-QFIPXVFZSA-N 0 0 452.505 4.737 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(F)c(F)c1 ZINC001439964364 1065899415 /nfs/dbraw/zinc/89/94/15/1065899415.db2.gz ILZNKMJEKRSZSK-HSZRJFAPSA-N 0 0 451.448 4.936 20 0 JJADRN O=C(NC[C@H]1CCC=CCCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001439996934 1065900517 /nfs/dbraw/zinc/90/05/17/1065900517.db2.gz JZKCHWLQAOFZHU-INIZCTEOSA-N 0 0 459.439 4.647 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N3CCC(C(=O)c4ccccc4Cl)CC3)n2)ccc1F ZINC001440002592 1065901832 /nfs/dbraw/zinc/90/18/32/1065901832.db2.gz SXIRAHLPZJSOQC-UHFFFAOYSA-N 0 0 455.917 4.892 20 0 JJADRN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001440002303 1065901923 /nfs/dbraw/zinc/90/19/23/1065901923.db2.gz ONQSXFNFFAMLCF-UHFFFAOYSA-N 0 0 458.486 4.591 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001440015974 1065902525 /nfs/dbraw/zinc/90/25/25/1065902525.db2.gz HFWZUNLLPGTHFB-AWEZNQCLSA-N 0 0 450.760 4.991 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)ccn1 ZINC001440016433 1065902983 /nfs/dbraw/zinc/90/29/83/1065902983.db2.gz HFSFUGYDVYIUNL-GOSISDBHSA-N 0 0 453.583 4.919 20 0 JJADRN O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCCc2c(C(F)(F)F)ccc(Cl)c21 ZINC001440020591 1065903699 /nfs/dbraw/zinc/90/36/99/1065903699.db2.gz UCQPPMMYSYQLMC-UHFFFAOYSA-N 0 0 451.807 4.637 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C)c2cnn(CC3CCC3)c2)cc1OC ZINC001440022421 1065903741 /nfs/dbraw/zinc/90/37/41/1065903741.db2.gz YDBRQWKHMUWCNY-CQSZACIVSA-N 0 0 450.377 4.734 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(Br)cc2OC(F)F)nn1-c1ccccc1F ZINC001440022883 1065903751 /nfs/dbraw/zinc/90/37/51/1065903751.db2.gz YQGDAGXDFGUHOB-UHFFFAOYSA-N 0 0 455.234 4.585 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)[C@H](C)Cc3cccc(Cl)c3)[nH]c2c(Br)c1 ZINC001440025983 1065904166 /nfs/dbraw/zinc/90/41/66/1065904166.db2.gz CXAMFUDPPUTIBR-SNVBAGLBSA-N 0 0 450.720 4.583 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CCC(F)(F)CC3)cc2)cc1 ZINC001440029530 1065904635 /nfs/dbraw/zinc/90/46/35/1065904635.db2.gz OUPJGFKLZZANCF-UHFFFAOYSA-N 0 0 450.551 4.766 20 0 JJADRN Cc1ccc(I)c(C(=O)Nc2ccc(-c3nc4cc[nH]cc-4n3)cc2)c1 ZINC001440029029 1065904778 /nfs/dbraw/zinc/90/47/78/1065904778.db2.gz RNWXSEKZSNLTDF-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCCC1CCC(F)(F)CC1 ZINC001440029451 1065904787 /nfs/dbraw/zinc/90/47/87/1065904787.db2.gz ONPDPOWQRIAUKB-UHFFFAOYSA-N 0 0 457.686 4.899 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001360790248 1065904966 /nfs/dbraw/zinc/90/49/66/1065904966.db2.gz CPZZZAFECCKUDD-HNNXBMFYSA-N 0 0 450.848 4.808 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001440034330 1065905671 /nfs/dbraw/zinc/90/56/71/1065905671.db2.gz WTJAXQHXVAGLFB-UHFFFAOYSA-N 0 0 458.477 4.503 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC001360791682 1065906034 /nfs/dbraw/zinc/90/60/34/1065906034.db2.gz UKLCEGIDBFESFL-HXUWFJFHSA-N 0 0 453.970 4.852 20 0 JJADRN Cc1nc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)nn1-c1ccccc1 ZINC001360791761 1065906528 /nfs/dbraw/zinc/90/65/28/1065906528.db2.gz WEFFAJLOHGGIOV-UHFFFAOYSA-N 0 0 453.384 4.970 20 0 JJADRN O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCCSC[C@H]1C(F)(F)F ZINC001440048345 1065907104 /nfs/dbraw/zinc/90/71/04/1065907104.db2.gz TWDRAVYDVCRKFQ-HNNXBMFYSA-N 0 0 456.490 4.645 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(c3cc(Br)ccc3OC)CC2)cc(F)c1Cl ZINC001440052327 1065907192 /nfs/dbraw/zinc/90/71/92/1065907192.db2.gz FHSSLZQFWJMPIZ-UHFFFAOYSA-N 0 0 456.695 4.707 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc(F)c1Cl ZINC001440050040 1065907246 /nfs/dbraw/zinc/90/72/46/1065907246.db2.gz MFFLDEDJQYJCLO-UHFFFAOYSA-N 0 0 459.758 4.862 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cc1coc(-c3ccccc3)n1)CC2 ZINC001440060118 1065907514 /nfs/dbraw/zinc/90/75/14/1065907514.db2.gz AHPRLRUAURZTOX-JOCHJYFZSA-N 0 0 453.583 4.768 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2C[C@H](C)Cc3c(C(F)(F)F)ccc(C)c32)CC1 ZINC001440055349 1065907788 /nfs/dbraw/zinc/90/77/88/1065907788.db2.gz ADTCRAZLJGVXTI-GDBMZVCRSA-N 0 0 456.574 4.777 20 0 JJADRN C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001440057145 1065907828 /nfs/dbraw/zinc/90/78/28/1065907828.db2.gz ZDSVJOJALKESPS-BFQNTYOBSA-N 0 0 470.738 4.731 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccn(-c3ccccc3F)n1)CC2 ZINC001440063378 1065908155 /nfs/dbraw/zinc/90/81/55/1065908155.db2.gz IQLRELNOXVUPCF-OAQYLSRUSA-N 0 0 456.562 4.509 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cn(C)nc1-c1ccccc1)CC2 ZINC001440067214 1065908310 /nfs/dbraw/zinc/90/83/10/1065908310.db2.gz VRVKSZUKBKIDSH-JOCHJYFZSA-N 0 0 452.599 4.585 20 0 JJADRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Cc1cc(Cl)ccc1OC ZINC001360794312 1065908712 /nfs/dbraw/zinc/90/87/12/1065908712.db2.gz VIBWTYLIDOVQPY-VXKWHMMOSA-N 0 0 458.986 4.929 20 0 JJADRN CCOC(=O)c1cn(CC)nc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001440070045 1065908945 /nfs/dbraw/zinc/90/89/45/1065908945.db2.gz KVTARMKHMALMOO-UHFFFAOYSA-N 0 0 453.442 4.959 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCOc3c(F)cccc32)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794803 1065909170 /nfs/dbraw/zinc/90/91/70/1065909170.db2.gz ZDGAEMUZAZREQY-SJBKTWHCSA-N 0 0 454.542 4.730 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC001440073182 1065909440 /nfs/dbraw/zinc/90/94/40/1065909440.db2.gz ALRZOIFAPKVXJB-WLRWDXFRSA-N 0 0 461.759 4.761 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC(F)(F)F)cn1 ZINC001440072749 1065909481 /nfs/dbraw/zinc/90/94/81/1065909481.db2.gz AAROWWLXHMOLHC-UHFFFAOYSA-N 0 0 459.799 4.612 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001360795206 1065909485 /nfs/dbraw/zinc/90/94/85/1065909485.db2.gz AYRJTCSBXAUELX-UHFFFAOYSA-N 0 0 451.759 4.548 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCCOc1cccc(OC)c1 ZINC001360795759 1065909515 /nfs/dbraw/zinc/90/95/15/1065909515.db2.gz LHIXRRNFKUJRNM-UHFFFAOYSA-N 0 0 459.340 4.874 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001360795575 1065909679 /nfs/dbraw/zinc/90/96/79/1065909679.db2.gz IPNBQSZPGAVPLV-OGAOHHHESA-N 0 0 458.942 4.690 20 0 JJADRN O=C(CCNC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC001360796024 1065909690 /nfs/dbraw/zinc/90/96/90/1065909690.db2.gz ODLCNDKVHATZMK-UHFFFAOYSA-N 0 0 450.404 4.960 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 ZINC001440080011 1065910081 /nfs/dbraw/zinc/91/00/81/1065910081.db2.gz OGCAOIVYEWWJPV-CYBMUJFWSA-N 0 0 454.748 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001440079060 1065910186 /nfs/dbraw/zinc/91/01/86/1065910186.db2.gz MZNWEFYXIADZBO-CUNXSJBXSA-N 0 0 450.579 4.714 20 0 JJADRN CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360798970 1065910080 /nfs/dbraw/zinc/91/00/80/1065910080.db2.gz SIBOLYXXESTPBI-SFHVURJKSA-N 0 0 483.966 4.606 20 0 JJADRN CC1(C)[C@@H]2CN(c3nnc(COc4ccc(Cl)cc4)n3CC(F)(F)Br)C[C@@H]21 ZINC001360799270 1065910671 /nfs/dbraw/zinc/91/06/71/1065910671.db2.gz WUSLWLXLIFQFKD-OKILXGFUSA-N 0 0 461.738 4.590 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCCN(c4ccccc4OC)CC3)s2)c(F)c1 ZINC001440081165 1065910617 /nfs/dbraw/zinc/91/06/17/1065910617.db2.gz RFZQYMFKSDARTF-UHFFFAOYSA-N 0 0 455.555 4.627 20 0 JJADRN O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CCCc2c(Br)cccc21 ZINC001440090657 1065910755 /nfs/dbraw/zinc/91/07/55/1065910755.db2.gz NPKXYZIQXJWYDR-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCSc2ccccc2Br)o1 ZINC001360800328 1065911241 /nfs/dbraw/zinc/91/12/41/1065911241.db2.gz APNZPHZLAOCWGN-SFHVURJKSA-N 0 0 458.381 4.949 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)COc2ccc(C3SCCCS3)cc2)[C@H]1C ZINC001440101137 1065911736 /nfs/dbraw/zinc/91/17/36/1065911736.db2.gz IYTXQKVTKPNGAM-PZTGFMGMSA-N 0 0 451.654 4.759 20 0 JJADRN CC1(C)CCC(NC(=O)Cc2cc(Br)cc(I)c2)CC1 ZINC001360800816 1065911870 /nfs/dbraw/zinc/91/18/70/1065911870.db2.gz MNRWWPHSMRVDAU-UHFFFAOYSA-N 0 0 450.158 4.681 20 0 JJADRN CC1(C)CC(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001360801553 1065912326 /nfs/dbraw/zinc/91/23/26/1065912326.db2.gz HGEROVJSPIADJC-UHFFFAOYSA-N 0 0 483.103 4.673 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)cs2)n1C ZINC001440114951 1065913386 /nfs/dbraw/zinc/91/33/86/1065913386.db2.gz LHHITVBMYNQAIX-DEOSSOPVSA-N 0 0 458.628 4.853 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360802233 1065913842 /nfs/dbraw/zinc/91/38/42/1065913842.db2.gz BLVNRXLYDLDOAS-WAIKUNEKSA-N 0 0 470.511 4.969 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(C2CCCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360802529 1065914205 /nfs/dbraw/zinc/91/42/05/1065914205.db2.gz ISLBSVCLXHGRRL-OAHLLOKOSA-N 0 0 453.450 4.805 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1ccc(-n2cccn2)cc1)C(F)(F)F ZINC001440126452 1065914297 /nfs/dbraw/zinc/91/42/97/1065914297.db2.gz YZISLWJPABRQQV-OAQYLSRUSA-N 0 0 453.468 4.751 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1C ZINC001440125557 1065914360 /nfs/dbraw/zinc/91/43/60/1065914360.db2.gz ZJQAORSQGQZPJT-FQEVSTJZSA-N 0 0 454.571 4.963 20 0 JJADRN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)cc1 ZINC001360804035 1065915222 /nfs/dbraw/zinc/91/52/22/1065915222.db2.gz LQGFRWLVZBSRGA-FQEVSTJZSA-N 0 0 450.398 4.837 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)NCCCCSc1ccccc1Br ZINC001360803717 1065915266 /nfs/dbraw/zinc/91/52/66/1065915266.db2.gz FNNLGJLHTMXXTR-UHFFFAOYSA-N 0 0 450.398 4.892 20 0 JJADRN CC(C)(C)[S@](=O)CCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001360804180 1065915309 /nfs/dbraw/zinc/91/53/09/1065915309.db2.gz NWNDHUIAVOMKJJ-MUUNZHRXSA-N 0 0 459.409 4.941 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC(C)(C)C1=CCOCC1)c1ccccc1C(F)(F)F ZINC001440142059 1065915443 /nfs/dbraw/zinc/91/54/43/1065915443.db2.gz OBNZVJUBWCRGNX-SFHVURJKSA-N 0 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ZINC001440145255 1065916400 /nfs/dbraw/zinc/91/64/00/1065916400.db2.gz HHSSAFVOEXHQBJ-MRXNPFEDSA-N 0 0 454.596 4.698 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC001440145254 1065916417 /nfs/dbraw/zinc/91/64/17/1065916417.db2.gz HHSSAFVOEXHQBJ-INIZCTEOSA-N 0 0 454.596 4.698 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360805109 1065916838 /nfs/dbraw/zinc/91/68/38/1065916838.db2.gz HZMNQWYUEDCGGX-HUUCEWRRSA-N 0 0 480.476 4.687 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805478 1065917472 /nfs/dbraw/zinc/91/74/72/1065917472.db2.gz RSMLQHGJIFIFHE-VGSWGCGISA-N 0 0 451.537 4.696 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001440151598 1065917460 /nfs/dbraw/zinc/91/74/60/1065917460.db2.gz XESBEPWXDLSATN-SFHVURJKSA-N 0 0 455.624 4.665 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cccc(Br)c3)n2Cc2nccn2C(F)F)C1 ZINC001360805536 1065917807 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453.482 4.936 20 0 JJADRN CC(C)Cn1ncc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1C(F)F ZINC001440168662 1065919380 /nfs/dbraw/zinc/91/93/80/1065919380.db2.gz DQHZSOQPXGKKEW-UHFFFAOYSA-N 0 0 455.527 4.819 20 0 JJADRN CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001440168593 1065919509 /nfs/dbraw/zinc/91/95/09/1065919509.db2.gz KAFDWTKUPRSSTK-RDTXWAMCSA-N 0 0 463.287 4.624 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccn2C(F)F)C1 ZINC001360807785 1065920294 /nfs/dbraw/zinc/92/02/94/1065920294.db2.gz BDFDQGGFUWFLMB-UHFFFAOYSA-N 0 0 495.372 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001440176663 1065920786 /nfs/dbraw/zinc/92/07/86/1065920786.db2.gz UAZSLBHVEUBGNC-CQSZACIVSA-N 0 0 451.354 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)n2)C1 ZINC001440176758 1065920936 /nfs/dbraw/zinc/92/09/36/1065920936.db2.gz UNMDEVMNMCWGRT-UYAOXDASSA-N 0 0 454.571 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCCC(C)(C)C2)n1CC1(C)CCOCC1 ZINC001360808679 1065922296 /nfs/dbraw/zinc/92/22/96/1065922296.db2.gz TWJIKXRDUHXFKS-IBGZPJMESA-N 0 0 461.651 4.793 20 0 JJADRN CC1(C)CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(I)cc2)C1 ZINC001360808919 1065922694 /nfs/dbraw/zinc/92/26/94/1065922694.db2.gz XWKQJJCQBZILCB-UHFFFAOYSA-N 0 0 487.389 4.543 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001360808909 1065922788 /nfs/dbraw/zinc/92/27/88/1065922788.db2.gz XQUDLJNPXCKWGB-UHFFFAOYSA-N 0 0 490.714 4.994 20 0 JJADRN COc1cc(CCNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1 ZINC001440193910 1065923250 /nfs/dbraw/zinc/92/32/50/1065923250.db2.gz YZTRORFVDMEVDX-UHFFFAOYSA-N 0 0 450.482 4.748 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c(C)n2C1CCCC1 ZINC001440200177 1065923716 /nfs/dbraw/zinc/92/37/16/1065923716.db2.gz OXEBXUVOOVZKFM-KUHUBIRLSA-N 0 0 465.516 4.603 20 0 JJADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001440212923 1065924111 /nfs/dbraw/zinc/92/41/11/1065924111.db2.gz NYLWGQVLSJOMGW-SIKLNZKXSA-N 0 0 451.954 4.713 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(Cl)cc1Cl ZINC001440209743 1065924182 /nfs/dbraw/zinc/92/41/82/1065924182.db2.gz YRHKOGLUASVNIT-PVAVHDDUSA-N 0 0 469.434 4.994 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001440209971 1065924267 /nfs/dbraw/zinc/92/42/67/1065924267.db2.gz DMRXYULJHHEBNJ-DHXFQYHUSA-N 0 0 459.373 4.924 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC001360811718 1065924698 /nfs/dbraw/zinc/92/46/98/1065924698.db2.gz DXQYCRAFADRPAD-UHFFFAOYSA-N 0 0 454.983 4.808 20 0 JJADRN Cc1c(Br)cc(C(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c(=O)n1C ZINC001360811935 1065924719 /nfs/dbraw/zinc/92/47/19/1065924719.db2.gz MIWIKVIUAFCDRH-QGZVFWFLSA-N 0 0 459.306 4.992 20 0 JJADRN 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ZINC001360814193 1065926792 /nfs/dbraw/zinc/92/67/92/1065926792.db2.gz PDRZGWMEDBDAJS-UHFFFAOYSA-N 0 0 463.811 4.884 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001440277036 1065927280 /nfs/dbraw/zinc/92/72/80/1065927280.db2.gz QKEGKHTZRJCOHE-KOSHJBKYSA-N 0 0 475.586 4.832 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)NC[C@H](CC)Cc3cccc(Br)c3)CC2=O)cc1 ZINC001360814359 1065927375 /nfs/dbraw/zinc/92/73/75/1065927375.db2.gz FHSFJCBCOLPCQH-QUCCMNQESA-N 0 0 457.412 4.750 20 0 JJADRN CCN(C(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440283360 1065928008 /nfs/dbraw/zinc/92/80/08/1065928008.db2.gz VTYAFWDVOKJAFJ-HKUYNNGSSA-N 0 0 451.405 4.727 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001440283294 1065928014 /nfs/dbraw/zinc/92/80/14/1065928014.db2.gz VBWXPFRBROZNMX-GQNXPXPTSA-N 0 0 458.599 4.649 20 0 JJADRN O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(I)c(Cl)c1 ZINC001440282832 1065928023 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MFEJPCIMQPYEOR-PMACEKPBSA-N 0 0 461.651 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@H]3CCCCO3)nnc2N2CCC(C)(C)CC2)C1 ZINC001360815864 1065928915 /nfs/dbraw/zinc/92/89/15/1065928915.db2.gz MFEJPCIMQPYEOR-WOJBJXKFSA-N 0 0 461.651 4.793 20 0 JJADRN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001440300903 1065929274 /nfs/dbraw/zinc/92/92/74/1065929274.db2.gz RGPBOTUNUGUAAC-IBGZPJMESA-N 0 0 457.283 4.578 20 0 JJADRN CC1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360817060 1065929676 /nfs/dbraw/zinc/92/96/76/1065929676.db2.gz DDGHJBQGSMNUOM-UHFFFAOYSA-N 0 0 459.516 4.988 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccccc1OCC(C)C ZINC001545930138 1065929750 /nfs/dbraw/zinc/92/97/50/1065929750.db2.gz AOZZWSMJTSVJTL-NDEPHWFRSA-N 0 0 499.700 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC(C)(C)CC3)n2CCCOC(F)(F)F)C1 ZINC001360817506 1065930437 /nfs/dbraw/zinc/93/04/37/1065930437.db2.gz QCXFJCACBPRSSK-IYBDPMFKSA-N 0 0 475.556 4.602 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001360817278 1065930470 /nfs/dbraw/zinc/93/04/70/1065930470.db2.gz KDJHJSDJZXEKPE-NRFANRHFSA-N 0 0 467.658 4.696 20 0 JJADRN CC1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360817761 1065930531 /nfs/dbraw/zinc/93/05/31/1065930531.db2.gz WTSAAYHEBPDSBM-INIZCTEOSA-N 0 0 451.587 4.722 20 0 JJADRN CC1(C)CCO[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 ZINC001360817475 1065930649 /nfs/dbraw/zinc/93/06/49/1065930649.db2.gz PGCYKOIVCALZRH-MRXNPFEDSA-N 0 0 455.347 4.758 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1OC ZINC001440332841 1065930664 /nfs/dbraw/zinc/93/06/64/1065930664.db2.gz UBBJGFDRHIUAQK-QGZVFWFLSA-N 0 0 452.429 4.792 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001360818141 1065930982 /nfs/dbraw/zinc/93/09/82/1065930982.db2.gz GTGKVAOQXINLCI-UHFFFAOYSA-N 0 0 458.624 4.953 20 0 JJADRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)o1 ZINC001360818067 1065931099 /nfs/dbraw/zinc/93/10/99/1065931099.db2.gz DZYMNGWFPWSJRD-IBGZPJMESA-N 0 0 458.356 4.621 20 0 JJADRN CC1(C)CCN(c2nnc(CCOc3ccccc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360817885 1065931131 /nfs/dbraw/zinc/93/11/31/1065931131.db2.gz ZWAGLZDQDVXKBX-UHFFFAOYSA-N 0 0 455.990 4.653 20 0 JJADRN CC1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCSC(F)(F)F)CC(C)(C)O1 ZINC001360818322 1065931458 /nfs/dbraw/zinc/93/14/58/1065931458.db2.gz AWYHIIUOOGXZJD-UHFFFAOYSA-N 0 0 482.370 4.683 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC001360818898 1065931512 /nfs/dbraw/zinc/93/15/12/1065931512.db2.gz LNEZKNIJKZRUII-MAUKXSAKSA-N 0 0 465.461 4.591 20 0 JJADRN Nc1c(Cl)c(Cl)ccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001440345508 1065931688 /nfs/dbraw/zinc/93/16/88/1065931688.db2.gz DCYURGWAXNHEMD-UHFFFAOYSA-N 0 0 453.679 4.605 20 0 JJADRN CC(C)(C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001360819433 1065931846 /nfs/dbraw/zinc/93/18/46/1065931846.db2.gz 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ZINC001440702382 1065967891 /nfs/dbraw/zinc/96/78/91/1065967891.db2.gz CPWKGZZCVACVAW-SYYKKAFVSA-N 0 0 456.608 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)on2)CC1 ZINC001440709374 1065968933 /nfs/dbraw/zinc/96/89/33/1065968933.db2.gz TVAFBZINXYYBBQ-UHFFFAOYSA-N 0 0 455.530 4.858 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cs1 ZINC001440709923 1065969012 /nfs/dbraw/zinc/96/90/12/1065969012.db2.gz ZIXIXVHPLHKNHY-JLTOFOAXSA-N 0 0 457.596 4.768 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CCCC3)n2Cc2ccc(Cl)nc2)CC1 ZINC001360853325 1065969019 /nfs/dbraw/zinc/96/90/19/1065969019.db2.gz ADSTUNBYLZKEGN-UHFFFAOYSA-N 0 0 450.812 4.987 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cs1 ZINC001440709925 1065969181 /nfs/dbraw/zinc/96/91/81/1065969181.db2.gz ZIXIXVHPLHKNHY-VLIAUNLRSA-N 0 0 457.596 4.768 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001360853433 1065969947 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ZINC001360854209 1065972747 /nfs/dbraw/zinc/97/27/47/1065972747.db2.gz SPYWJQQKEFUBFK-UHFFFAOYSA-N 0 0 470.390 4.915 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3O2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440734324 1065972905 /nfs/dbraw/zinc/97/29/05/1065972905.db2.gz OHUIJLHAZYHZIK-NRFANRHFSA-N 0 0 456.951 4.782 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)cc1 ZINC001440734348 1065972940 /nfs/dbraw/zinc/97/29/40/1065972940.db2.gz DULJPUZZRPPKSL-UHFFFAOYSA-N 0 0 451.792 4.768 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001360854275 1065973172 /nfs/dbraw/zinc/97/31/72/1065973172.db2.gz TYIMPUOSORJZFQ-HNNXBMFYSA-N 0 0 465.342 4.719 20 0 JJADRN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC2CCCC2)nc1 ZINC001440737456 1065973381 /nfs/dbraw/zinc/97/33/81/1065973381.db2.gz KBCSHRBAOJSVJQ-UHFFFAOYSA-N 0 0 455.511 4.595 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001440739879 1065973898 /nfs/dbraw/zinc/97/38/98/1065973898.db2.gz 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ZINC001360857777 1065976144 /nfs/dbraw/zinc/97/61/44/1065976144.db2.gz MEYKFKOXEDPFOU-UGKGYDQZSA-N 0 0 471.646 4.543 20 0 JJADRN Cc1c(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cnn1-c1ccccc1F ZINC001545935533 1065976166 /nfs/dbraw/zinc/97/61/66/1065976166.db2.gz LHMRWFDJYWWLIB-LJQANCHMSA-N 0 0 452.530 4.784 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCSC(C)C)CC1 ZINC001360857830 1065976332 /nfs/dbraw/zinc/97/63/32/1065976332.db2.gz OALHWBCAIAWDMH-UHFFFAOYSA-N 0 0 471.602 4.526 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001360858048 1065977077 /nfs/dbraw/zinc/97/70/77/1065977077.db2.gz WSZTXDNOPKTFBS-JRBPQWBISA-N 0 0 481.479 4.627 20 0 JJADRN O=C(c1nc2ccc(Br)cn2c1F)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001440755430 1065977050 /nfs/dbraw/zinc/97/70/50/1065977050.db2.gz MWHSGASUBKTBMR-AWEZNQCLSA-N 0 0 452.711 4.573 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(C)C)C1 ZINC001360858205 1065977388 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495.798 4.614 20 0 JJADRN O=C(NCC1(c2ccccc2)CCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001440770317 1065977826 /nfs/dbraw/zinc/97/78/26/1065977826.db2.gz VJIMXTAEYCZPBN-UHFFFAOYSA-N 0 0 452.551 4.868 20 0 JJADRN COc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1OC1CCCC1 ZINC001440768638 1065978010 /nfs/dbraw/zinc/97/80/10/1065978010.db2.gz GEQQWMBFQQWRII-UHFFFAOYSA-N 0 0 451.479 4.523 20 0 JJADRN CC[C@@]1(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001440769822 1065978110 /nfs/dbraw/zinc/97/81/10/1065978110.db2.gz PBUFQGZKOBPZSP-LVXARBLLSA-N 0 0 452.599 4.605 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)CC1CC1 ZINC001440773742 1065978372 /nfs/dbraw/zinc/97/83/72/1065978372.db2.gz TVDUFRPGOOLDDU-UHFFFAOYSA-N 0 0 453.587 4.647 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)c1C ZINC001360858894 1065978676 /nfs/dbraw/zinc/97/86/76/1065978676.db2.gz AKVSGVWFKKHHIB-UHFFFAOYSA-N 0 0 454.445 4.998 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 ZINC001360858761 1065978722 /nfs/dbraw/zinc/97/87/22/1065978722.db2.gz VIBMYIKQBJXJEB-UHFFFAOYSA-N 0 0 460.365 4.740 20 0 JJADRN CCc1ccc(-c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1 ZINC001440785443 1065978921 /nfs/dbraw/zinc/97/89/21/1065978921.db2.gz OMVLVHWHGDDXRF-UHFFFAOYSA-N 0 0 452.576 4.614 20 0 JJADRN COc1cccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)c1 ZINC001440788276 1065978957 /nfs/dbraw/zinc/97/89/57/1065978957.db2.gz NNSIUHQVDLHQOU-JOCHJYFZSA-N 0 0 452.938 4.567 20 0 JJADRN COc1cccc([C@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001440792471 1065979401 /nfs/dbraw/zinc/97/94/01/1065979401.db2.gz XHNMHQPFJQIDCQ-HXUWFJFHSA-N 0 0 455.555 4.775 20 0 JJADRN COc1cccc([C@@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001440792470 1065979481 /nfs/dbraw/zinc/97/94/81/1065979481.db2.gz XHNMHQPFJQIDCQ-FQEVSTJZSA-N 0 0 455.555 4.775 20 0 JJADRN C[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001440814341 1065980449 /nfs/dbraw/zinc/98/04/49/1065980449.db2.gz ABDDNOCFAWLTBU-HRAATJIYSA-N 0 0 459.974 4.639 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCO[C@@H]2CCCC[C@H]2C)c1C ZINC001360862306 1065980828 /nfs/dbraw/zinc/98/08/28/1065980828.db2.gz MHMPJSWCKRLMOR-HYBUGGRVSA-N 0 0 476.625 4.627 20 0 JJADRN CCC(CC)[C@H](C(=O)NCCCN1c2ccccc2Sc2ccccc21)N1CCOCC1 ZINC001440815475 1065980950 /nfs/dbraw/zinc/98/09/50/1065980950.db2.gz DLQGCFJNBYSVDE-RUZDIDTESA-N 0 0 453.652 4.933 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCO[C@H]2C(C)C)c1C ZINC001360862795 1065981412 /nfs/dbraw/zinc/98/14/12/1065981412.db2.gz WWSMLHYGJBMHSQ-RDPSFJRHSA-N 0 0 497.043 4.746 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC001440822680 1065981509 /nfs/dbraw/zinc/98/15/09/1065981509.db2.gz AVDHEQYCMXNXJE-QFIPXVFZSA-N 0 0 452.473 4.684 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC001440821502 1065981575 /nfs/dbraw/zinc/98/15/75/1065981575.db2.gz YQMVWGWMAFSFQZ-UHFFFAOYSA-N 0 0 452.292 4.837 20 0 JJADRN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@H](c2ccco2)C1 ZINC001360863181 1065981889 /nfs/dbraw/zinc/98/18/89/1065981889.db2.gz MJKBOSMFAXUHTA-UZLBHIALSA-N 0 0 459.384 4.894 20 0 JJADRN C[C@H](CNC(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1)Oc1ccc(Br)cc1 ZINC001360863305 1065981921 /nfs/dbraw/zinc/98/19/21/1065981921.db2.gz PJRJLCWJKNQIJN-CQSZACIVSA-N 0 0 451.324 4.536 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC001440826264 1065982065 /nfs/dbraw/zinc/98/20/65/1065982065.db2.gz FTKUAVGINYJVDX-OAQYLSRUSA-N 0 0 457.423 4.909 20 0 JJADRN C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@H](c2ccco2)C1 ZINC001360863619 1065982140 /nfs/dbraw/zinc/98/21/40/1065982140.db2.gz XXZUJAAAKYRWKZ-JXFKEZNVSA-N 0 0 450.988 4.721 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001360864196 1065982759 /nfs/dbraw/zinc/98/27/59/1065982759.db2.gz PQHHNBHYDYBOIH-NRFANRHFSA-N 0 0 456.876 4.733 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C2CC(C(C)(C)C)C2)c1C ZINC001360864805 1065982977 /nfs/dbraw/zinc/98/29/77/1065982977.db2.gz IXDJFTKYDZJWCT-QNGMFEMESA-N 0 0 453.631 4.861 20 0 JJADRN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Sc2cccc(Br)c2)n1 ZINC001440853090 1065983554 /nfs/dbraw/zinc/98/35/54/1065983554.db2.gz MFTMSBUNVYAUOA-QGZVFWFLSA-N 0 0 456.365 4.903 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCc2nc(C(C)(C)C)cs2)c1C ZINC001360864945 1065983607 /nfs/dbraw/zinc/98/36/07/1065983607.db2.gz MMXVAQCWYMSEEB-UHFFFAOYSA-N 0 0 491.665 4.962 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCc2ccsc2)c1C ZINC001360864984 1065983745 /nfs/dbraw/zinc/98/37/45/1065983745.db2.gz NQISCZDKGLPBNV-UHFFFAOYSA-N 0 0 465.648 4.926 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CCSC2)c1C ZINC001360865404 1065984382 /nfs/dbraw/zinc/98/43/82/1065984382.db2.gz ARUXQLMHPFYOTC-UUOWRZLLSA-N 0 0 488.057 4.588 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)(C)C)n2CC(=O)NC2CCCCC2)c1C ZINC001360865453 1065984586 /nfs/dbraw/zinc/98/45/86/1065984586.db2.gz BSWYKQMDLFBMKH-FQEVSTJZSA-N 0 0 455.647 4.966 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001360865588 1065985115 /nfs/dbraw/zinc/98/51/15/1065985115.db2.gz DYTFHKPCAPIHLZ-TYPHKJRUSA-N 0 0 488.654 4.551 20 0 JJADRN CCN(CC)[C@H](CNC(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1ccccc1Cl ZINC001440867074 1065985145 /nfs/dbraw/zinc/98/51/45/1065985145.db2.gz NNBPKLFFJKYFOU-HXUWFJFHSA-N 0 0 457.423 4.600 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc(Br)cn3ncnc23)s1 ZINC001440866981 1065985199 /nfs/dbraw/zinc/98/51/99/1065985199.db2.gz QIYPJIOMNWJQEN-UHFFFAOYSA-N 0 0 455.381 4.747 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3cccs3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001360865695 1065985512 /nfs/dbraw/zinc/98/55/12/1065985512.db2.gz GZVYEDIPCZOTBF-RTBURBONSA-N 0 0 488.679 4.871 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC(C)(C)C(F)(F)F)c1C ZINC001360865762 1065985534 /nfs/dbraw/zinc/98/55/34/1065985534.db2.gz IDFFHWVPHCPTTQ-QGZVFWFLSA-N 0 0 483.579 4.974 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001360865693 1065985552 /nfs/dbraw/zinc/98/55/52/1065985552.db2.gz GZVYEDIPCZOTBF-OALUTQOASA-N 0 0 488.679 4.871 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(O)c1 ZINC001440870394 1065986323 /nfs/dbraw/zinc/98/63/23/1065986323.db2.gz NHWNVFPDLINIRP-UHFFFAOYSA-N 0 0 451.479 4.515 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H]3CCSC3)n2CCC(=O)NC2CCCCC2)c1C ZINC001360865967 1065986505 /nfs/dbraw/zinc/98/65/05/1065986505.db2.gz KPDRENYAFQURPV-UNMCSNQZSA-N 0 0 485.698 4.816 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001440869882 1065986356 /nfs/dbraw/zinc/98/63/56/1065986356.db2.gz LDPFXJRZNSQYMB-UHFFFAOYSA-N 0 0 456.271 4.845 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360866046 1065987082 /nfs/dbraw/zinc/98/70/82/1065987082.db2.gz MCMAXGGPAFFQKK-JMUQELJHSA-N 0 0 465.646 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CSCCS2)c1C ZINC001360866184 1065988095 /nfs/dbraw/zinc/98/80/95/1065988095.db2.gz OCQDQDLMQGQPKL-CVEARBPZSA-N 0 0 460.591 4.882 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCn1ccnc1C ZINC001360866230 1065988158 /nfs/dbraw/zinc/98/81/58/1065988158.db2.gz PAVSIDAJYULIGG-OAQYLSRUSA-N 0 0 477.613 4.871 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360866253 1065988176 /nfs/dbraw/zinc/98/81/76/1065988176.db2.gz PQASBUWDMYTRKH-UGKGYDQZSA-N 0 0 495.590 4.677 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCc1ccc(C)cc1C ZINC001545936211 1065988161 /nfs/dbraw/zinc/98/81/61/1065988161.db2.gz FLFNBENGYRQOES-UHFFFAOYSA-N 0 0 467.658 4.596 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c3cccnc23)c(C)c1C ZINC001440879319 1065988307 /nfs/dbraw/zinc/98/83/07/1065988307.db2.gz GQBFGXQFSYGURP-UHFFFAOYSA-N 0 0 459.999 4.737 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCC(F)(F)F)c1C ZINC001360866527 1065988981 /nfs/dbraw/zinc/98/89/81/1065988981.db2.gz UVXHCVILDPWFFT-QGZVFWFLSA-N 0 0 469.552 4.728 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)c2cccs2)cnn1C ZINC001360866586 1065989120 /nfs/dbraw/zinc/98/91/20/1065989120.db2.gz VYSJMLWGJKCFJG-RXFWQSSRSA-N 0 0 494.665 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC001440883574 1065989306 /nfs/dbraw/zinc/98/93/06/1065989306.db2.gz KRHGZBOKGIFXLJ-GBXCKJPGSA-N 0 0 450.535 4.664 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccncc2Cl)cnn1C ZINC001360866709 1065990260 /nfs/dbraw/zinc/99/02/60/1065990260.db2.gz XUWQAEWOQLSOPA-LJQANCHMSA-N 0 0 480.016 4.810 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCCN2CCOCC2)c1C ZINC001360866810 1065990431 /nfs/dbraw/zinc/99/04/31/1065990431.db2.gz YYDZSEITFVAFLN-YADHBBJMSA-N 0 0 467.614 4.548 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccc(Br)o3)n2Cc2ccn(C)n2)c1C ZINC001360866904 1065990760 /nfs/dbraw/zinc/99/07/60/1065990760.db2.gz ZOHVCTVBRNKQRI-KRWDZBQOSA-N 0 0 499.413 4.809 20 0 JJADRN COc1ccc([C@H](CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001440894138 1065990937 /nfs/dbraw/zinc/99/09/37/1065990937.db2.gz NGHGYBMDFMZLSN-UTKZUKDTSA-N 0 0 451.567 4.728 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cc1F ZINC001360867890 1065991198 /nfs/dbraw/zinc/99/11/98/1065991198.db2.gz KKEGZFBHRJQQHT-UHFFFAOYSA-N 0 0 456.424 4.501 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2cc(F)cc(F)c2N)c2c[nH]c3ccccc32)c1OC ZINC001440899359 1065992557 /nfs/dbraw/zinc/99/25/57/1065992557.db2.gz YSLPFSGRNZINNV-LJQANCHMSA-N 0 0 451.473 4.607 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCC(F)(F)F)cnn1C ZINC001360868545 1065992692 /nfs/dbraw/zinc/99/26/92/1065992692.db2.gz HJYNKFBLHCZXFT-QGZVFWFLSA-N 0 0 450.509 4.514 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360868561 1065992777 /nfs/dbraw/zinc/99/27/77/1065992777.db2.gz HPZLCDUUJXWIQB-UJQZNKFNSA-N 0 0 474.593 4.971 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001440900520 1065992769 /nfs/dbraw/zinc/99/27/69/1065992769.db2.gz QVDFXDGGMPGKEV-DEOSSOPVSA-N 0 0 456.543 4.577 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360868704 1065993436 /nfs/dbraw/zinc/99/34/36/1065993436.db2.gz AOVMQCIPTCGMOV-LEWJYISDSA-N 0 0 453.631 4.563 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1C ZINC001440920203 1065993912 /nfs/dbraw/zinc/99/39/12/1065993912.db2.gz HRLUTOFNWLTPJA-LDUBKBBESA-N 0 0 454.979 4.913 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@](C)(O)C2CC2)c1C ZINC001360868713 1065994031 /nfs/dbraw/zinc/99/40/31/1065994031.db2.gz ARXXEPLOTOBRDP-BCHFMIIMSA-N 0 0 456.631 4.590 20 0 JJADRN Cc1ncc(-c2ccc(NC(=O)C3([C@]4(O)CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)o1 ZINC001440920611 1065993965 /nfs/dbraw/zinc/99/39/65/1065993965.db2.gz NMISCELOQFJJGC-VWLOTQADSA-N 0 0 455.555 4.521 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCC2CC2)c1C ZINC001360868851 1065994417 /nfs/dbraw/zinc/99/44/17/1065994417.db2.gz CAUROLKUAXLGKY-GOSISDBHSA-N 0 0 493.574 4.730 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440923178 1065994522 /nfs/dbraw/zinc/99/45/22/1065994522.db2.gz PZNBWEWAWGONBM-XSFVSMFZSA-N 0 0 453.951 4.607 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC001440924907 1065994775 /nfs/dbraw/zinc/99/47/75/1065994775.db2.gz YZGPUTBKGNMHIS-HIBZGYDWSA-N 0 0 456.951 4.605 20 0 JJADRN C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C)[C@H](C)S(C)(=O)=O ZINC001440925084 1065994935 /nfs/dbraw/zinc/99/49/35/1065994935.db2.gz STUCXANYYAVULQ-IUVQAAGXSA-N 0 0 459.011 4.926 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC2CC2)c1C ZINC001360868973 1065995372 /nfs/dbraw/zinc/99/53/72/1065995372.db2.gz LKUYEYFCWASUOO-MRXNPFEDSA-N 0 0 462.520 4.834 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1C ZINC001360869025 1065995465 /nfs/dbraw/zinc/99/54/65/1065995465.db2.gz LTLUQYDMDIFEKQ-GIFXNVAJSA-N 0 0 480.657 4.819 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)c1C ZINC001360869107 1065995788 /nfs/dbraw/zinc/99/57/88/1065995788.db2.gz MEASJHJPKWXYJX-XJUOHMSHSA-N 0 0 457.663 4.626 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001440943414 1065995921 /nfs/dbraw/zinc/99/59/21/1065995921.db2.gz GRDYTKMXAPAFEV-UHFFFAOYSA-N 0 0 452.595 4.955 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@@H](Sc3ccc(F)cc3F)c3ccccc3)CC2)cs1 ZINC001440936595 1065995937 /nfs/dbraw/zinc/99/59/37/1065995937.db2.gz AGQZAOGBHXPGHU-QFIPXVFZSA-N 0 0 459.587 4.908 20 0 JJADRN COc1ccccc1NC(=O)C1CCN(C(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001440941545 1065995963 /nfs/dbraw/zinc/99/59/63/1065995963.db2.gz RUAJNAYQNPXLLW-HSZRJFAPSA-N 0 0 452.595 4.684 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360869131 1065996446 /nfs/dbraw/zinc/99/64/46/1065996446.db2.gz FDRMNLCEODHGHH-FIKMYACPSA-N 0 0 493.530 4.844 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360869429 1065997427 /nfs/dbraw/zinc/99/74/27/1065997427.db2.gz HJTLBPSIFAHQLU-UNMCSNQZSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)C2=O)cc1 ZINC001440966895 1065997454 /nfs/dbraw/zinc/99/74/54/1065997454.db2.gz KAPOULKCYHQACN-ZHZULCJRSA-N 0 0 454.979 4.824 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CCO[C@@H](c3ccccc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001440967435 1065997632 /nfs/dbraw/zinc/99/76/32/1065997632.db2.gz LZMGDUHNWXNMDF-VQTJNVASSA-N 0 0 459.974 4.599 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360869499 1065997882 /nfs/dbraw/zinc/99/78/82/1065997882.db2.gz HZACRLJQWKOEAD-UXHICEINSA-N 0 0 498.640 4.731 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360869501 1065997978 /nfs/dbraw/zinc/99/79/78/1065997978.db2.gz HZACRLJQWKOEAD-VQTJNVASSA-N 0 0 498.640 4.731 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360869497 1065998025 /nfs/dbraw/zinc/99/80/25/1065998025.db2.gz HZACRLJQWKOEAD-PMACEKPBSA-N 0 0 498.640 4.731 20 0 JJADRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001440974458 1065998135 /nfs/dbraw/zinc/99/81/35/1065998135.db2.gz YYPKHYQOAGMGIB-JBMBRLSUSA-N 0 0 453.391 4.828 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869760 1065999060 /nfs/dbraw/zinc/99/90/60/1065999060.db2.gz RDMMHNWEYVIJAW-RTWAWAEBSA-N 0 0 487.645 4.565 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1 ZINC001441003262 1065999217 /nfs/dbraw/zinc/99/92/17/1065999217.db2.gz FPEMXERLXKIGSS-HHHXNRCGSA-N 0 0 451.563 4.531 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)Cc3csc(CNC(=O)OC(C)(C)C)n3)ccc2c1 ZINC001441002628 1065999300 /nfs/dbraw/zinc/99/93/00/1065999300.db2.gz KBMMHYMMNSYLJV-UHFFFAOYSA-N 0 0 455.580 4.531 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC3CC3)C3CCCCC3)n2CC(=O)N(C)C)c1C ZINC001360869831 1065999768 /nfs/dbraw/zinc/99/97/68/1065999768.db2.gz KOSSBFIWAWLIEY-HXUWFJFHSA-N 0 0 453.631 4.672 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001441007170 1065999842 /nfs/dbraw/zinc/99/98/42/1065999842.db2.gz BFLHGVFXOMZNRI-AVRWGWEMSA-N 0 0 474.985 4.832 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360869853 1065999899 /nfs/dbraw/zinc/99/98/99/1065999899.db2.gz KYFFYXJWICEKAU-WWUFWPGTSA-N 0 0 484.563 4.598 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@](C)(O)C2CC2)c1C ZINC001360870097 1066000644 /nfs/dbraw/zinc/00/06/44/1066000644.db2.gz UNJTUDAHQNPERH-DCFHFQCYSA-N 0 0 478.641 4.746 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCO[C@H](C)C2)c1C ZINC001360870016 1066000663 /nfs/dbraw/zinc/00/06/63/1066000663.db2.gz LWOKETGPPDIRRZ-DKQPQCJKSA-N 0 0 456.631 4.854 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001441015510 1066000925 /nfs/dbraw/zinc/00/09/25/1066000925.db2.gz POMTZUNNSJSMGX-UHFFFAOYSA-N 0 0 458.345 4.809 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCCCC2(F)F)c1C ZINC001360870194 1066001205 /nfs/dbraw/zinc/00/12/05/1066001205.db2.gz NGQZZJYXDATVCO-RLLQIKCJSA-N 0 0 475.584 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360870206 1066001691 /nfs/dbraw/zinc/00/16/91/1066001691.db2.gz NMDVQZMGYVDUCC-SVFBPWRDSA-N 0 0 499.656 4.515 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360870205 1066001722 /nfs/dbraw/zinc/00/17/22/1066001722.db2.gz NMDVQZMGYVDUCC-SFHLNBCPSA-N 0 0 499.656 4.515 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCCC(=O)NC2CC2)c1C ZINC001360870200 1066001731 /nfs/dbraw/zinc/00/17/31/1066001731.db2.gz NLJBUKGUPZRRDP-FBBABVLZSA-N 0 0 453.631 4.719 20 0 JJADRN COc1cc(CNC(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)ccc1OCc1ccccc1 ZINC001441026067 1066001788 /nfs/dbraw/zinc/00/17/88/1066001788.db2.gz CCBDRPNGENJECY-UHFFFAOYSA-N 0 0 454.567 4.680 20 0 JJADRN CCC(C)(C)C1CCC(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC001441029587 1066002078 /nfs/dbraw/zinc/00/20/78/1066002078.db2.gz MVXXMUCBRSGAEI-UHFFFAOYSA-N 0 0 455.064 4.806 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC001441031404 1066002257 /nfs/dbraw/zinc/00/22/57/1066002257.db2.gz WMKDQYFXKGOLNX-UHFFFAOYSA-N 0 0 455.675 4.766 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cccs3)n2CCCN2CCOC2=O)c1C ZINC001360870514 1066002482 /nfs/dbraw/zinc/00/24/82/1066002482.db2.gz XWBTUWKKYIBIEP-IBGZPJMESA-N 0 0 469.611 4.575 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cccs3)n2CCCN2CCOC2=O)c1C ZINC001360870516 1066002528 /nfs/dbraw/zinc/00/25/28/1066002528.db2.gz XWBTUWKKYIBIEP-LJQANCHMSA-N 0 0 469.611 4.575 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)cn12 ZINC001441034211 1066002552 /nfs/dbraw/zinc/00/25/52/1066002552.db2.gz AFTGKNBZFNJOJU-GOSISDBHSA-N 0 0 458.312 4.629 20 0 JJADRN COc1cc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1 ZINC001441035197 1066002741 /nfs/dbraw/zinc/00/27/41/1066002741.db2.gz SKXCDWVEGQNTKO-NRFANRHFSA-N 0 0 454.567 4.538 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](O)CC4(CCCC4)C3)n2CCCOC(C)C)c1C ZINC001360870668 1066002877 /nfs/dbraw/zinc/00/28/77/1066002877.db2.gz PSBOQAGFVDEWQC-DHIUTWEWSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC001360870585 1066002941 /nfs/dbraw/zinc/00/29/41/1066002941.db2.gz BKIDVIDASGUPAO-HXUWFJFHSA-N 0 0 455.606 4.927 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001441045342 1066003576 /nfs/dbraw/zinc/00/35/76/1066003576.db2.gz QUHVGAUQLGIWQH-LJQANCHMSA-N 0 0 450.457 4.591 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)c1 ZINC001441046235 1066003607 /nfs/dbraw/zinc/00/36/07/1066003607.db2.gz WCKYAQJGSAWVFN-UHFFFAOYSA-N 0 0 451.364 4.899 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360870817 1066003807 /nfs/dbraw/zinc/00/38/07/1066003807.db2.gz ZZIBBCXVFARARV-MRXNPFEDSA-N 0 0 485.564 4.904 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360870983 1066004352 /nfs/dbraw/zinc/00/43/52/1066004352.db2.gz RWUOZYGUYAQQHM-SXWKCWPCSA-N 0 0 469.674 4.628 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1F)Nc1ccccc1 ZINC001441052862 1066004390 /nfs/dbraw/zinc/00/43/90/1066004390.db2.gz UVBHHQSKQGJSHX-AWEZNQCLSA-N 0 0 452.299 4.544 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001441050522 1066004412 /nfs/dbraw/zinc/00/44/12/1066004412.db2.gz NYJGXEHQTMEFBZ-KRWDZBQOSA-N 0 0 451.901 4.643 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545937824 1066004760 /nfs/dbraw/zinc/00/47/60/1066004760.db2.gz ATXIGVAFERQRAZ-LJQANCHMSA-N 0 0 483.604 4.841 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(=O)[nH]1 ZINC001441057299 1066004842 /nfs/dbraw/zinc/00/48/42/1066004842.db2.gz KOWGQQPJJGSHTP-UHFFFAOYSA-N 0 0 450.926 4.723 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)c1C ZINC001360871484 1066005121 /nfs/dbraw/zinc/00/51/21/1066005121.db2.gz XPCZLDIZXHKBCE-GMAHTHKFSA-N 0 0 488.698 4.875 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360871440 1066005310 /nfs/dbraw/zinc/00/53/10/1066005310.db2.gz WWVGNWFZYSCVQY-GHTZIAJQSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC2CCCC2)c1C ZINC001360871527 1066005536 /nfs/dbraw/zinc/00/55/36/1066005536.db2.gz XYPJPWODVVYTPI-CTNGQTDRSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CCc2ccncc2)c1C ZINC001360871671 1066005849 /nfs/dbraw/zinc/00/58/49/1066005849.db2.gz ZEUYEJJODHMVDN-OAQYLSRUSA-N 0 0 451.615 4.924 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1S(=O)(=O)NC(C)(C)C ZINC001360871920 1066005972 /nfs/dbraw/zinc/00/59/72/1066005972.db2.gz AIAVSXNBNJEBER-QHCPKHFHSA-N 0 0 452.576 4.831 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC001441087405 1066006634 /nfs/dbraw/zinc/00/66/34/1066006634.db2.gz GPOIOYHVAHLPRD-UHFFFAOYSA-N 0 0 459.955 4.712 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545938198 1066006697 /nfs/dbraw/zinc/00/66/97/1066006697.db2.gz MKXVJIFYAITDPF-OAQYLSRUSA-N 0 0 491.652 4.784 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CCC(C)(F)F)c1C ZINC001360872760 1066006704 /nfs/dbraw/zinc/00/67/04/1066006704.db2.gz ABEMFMVZAVBONO-VQTJNVASSA-N 0 0 472.584 4.883 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCc2ccncc2)c1C ZINC001360872790 1066006745 /nfs/dbraw/zinc/00/67/45/1066006745.db2.gz AOSFRBHLOYCAQE-UPVQGACJSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccc(C(F)(F)F)s4)CC3)n2)cc1 ZINC001441094919 1066007133 /nfs/dbraw/zinc/00/71/33/1066007133.db2.gz ZHXJEEBOYOPNBU-CQSZACIVSA-N 0 0 450.486 4.644 20 0 JJADRN Cc1nc(-c2ccc([C@@H](C)NC(=O)COc3ccc(C=O)cc3Br)cc2)cs1 ZINC001441092733 1066007150 /nfs/dbraw/zinc/00/71/50/1066007150.db2.gz VSZMRLLCWAQOIN-CYBMUJFWSA-N 0 0 459.365 4.950 20 0 JJADRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001441098843 1066007487 /nfs/dbraw/zinc/00/74/87/1066007487.db2.gz KFZGSRMQFQNUSE-QFIPXVFZSA-N 0 0 450.441 4.566 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2(C)CCC2)c1C ZINC001360872901 1066007584 /nfs/dbraw/zinc/00/75/84/1066007584.db2.gz CCEMEHBDWTZNLC-NRFANRHFSA-N 0 0 467.658 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCc1c[nH]c2c1cccc2C ZINC001545938493 1066007929 /nfs/dbraw/zinc/00/79/29/1066007929.db2.gz WMTQCVXXVVKNCU-QFIPXVFZSA-N 0 0 482.698 4.807 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360873018 1066008081 /nfs/dbraw/zinc/00/80/81/1066008081.db2.gz DOGWCFWKCNXGID-IYWMVGAKSA-N 0 0 473.593 4.669 20 0 JJADRN CN(C)c1ccc(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1F ZINC001441114789 1066008351 /nfs/dbraw/zinc/00/83/51/1066008351.db2.gz YQFVIZLMPAPMBH-UHFFFAOYSA-N 0 0 456.945 4.759 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC2CCOCC2)c1C ZINC001360873288 1066008572 /nfs/dbraw/zinc/00/85/72/1066008572.db2.gz GJFHPBBBLORPTA-JOCHJYFZSA-N 0 0 497.684 4.546 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2Cc2ccoc2)c1C ZINC001360873426 1066008807 /nfs/dbraw/zinc/00/88/07/1066008807.db2.gz FCGYCMDJZROFNU-IBGZPJMESA-N 0 0 477.531 4.751 20 0 JJADRN CC(C)C(=O)Nc1cccc(NC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001441117873 1066008805 /nfs/dbraw/zinc/00/88/05/1066008805.db2.gz UEKGNCYPHIBMCU-UHFFFAOYSA-N 0 0 451.567 4.756 20 0 JJADRN CCN(Cc1ccc2ccccc2c1)C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001441119032 1066008950 /nfs/dbraw/zinc/00/89/50/1066008950.db2.gz JVPKIJDXIMEFNG-UHFFFAOYSA-N 0 0 452.620 4.854 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cn4cccn4)CC3)n2CC(F)(F)F)c1C ZINC001360873531 1066009299 /nfs/dbraw/zinc/00/92/99/1066009299.db2.gz ILZBCESRXNVYJI-SFHVURJKSA-N 0 0 462.520 4.710 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCCOC(F)F)c1C ZINC001360873523 1066009356 /nfs/dbraw/zinc/00/93/56/1066009356.db2.gz IIGIQDMSAQMLQS-FPOVZHCZSA-N 0 0 478.584 4.917 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cn4cccn4)CC3)n2CC(F)(F)F)c1C ZINC001360873530 1066009394 /nfs/dbraw/zinc/00/93/94/1066009394.db2.gz ILZBCESRXNVYJI-GOSISDBHSA-N 0 0 462.520 4.710 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360873602 1066009978 /nfs/dbraw/zinc/00/99/78/1066009978.db2.gz GTYMARSBVWWEAN-YHYVQYDKSA-N 0 0 494.640 4.535 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc2cccnc2cc1Br ZINC001545938740 1066010164 /nfs/dbraw/zinc/01/01/64/1066010164.db2.gz DZQPRWOLHDRUTH-GOSISDBHSA-N 0 0 450.377 4.553 20 0 JJADRN Cc1nnc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC001441139632 1066010261 /nfs/dbraw/zinc/01/02/61/1066010261.db2.gz NGSWKGPVUKHYTJ-UHFFFAOYSA-N 0 0 456.390 4.922 20 0 JJADRN C[C@@H]1CN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CO1 ZINC001441147714 1066010530 /nfs/dbraw/zinc/01/05/30/1066010530.db2.gz IMCQIBIQYCQZIN-RTBURBONSA-N 0 0 450.579 4.720 20 0 JJADRN C[C@@H]1CN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CO1 ZINC001441147702 1066010537 /nfs/dbraw/zinc/01/05/37/1066010537.db2.gz IMCQIBIQYCQZIN-RBUKOAKNSA-N 0 0 450.579 4.720 20 0 JJADRN CCN(Cc1ccccc1Cl)C(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 ZINC001441147937 1066010600 /nfs/dbraw/zinc/01/06/00/1066010600.db2.gz JBSADFYIMNBPKY-JOCHJYFZSA-N 0 0 456.011 4.788 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001441155225 1066010692 /nfs/dbraw/zinc/01/06/92/1066010692.db2.gz VHOBJPXARYFULV-UHFFFAOYSA-N 0 0 456.011 4.891 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC(C)(C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360873837 1066010615 /nfs/dbraw/zinc/01/06/15/1066010615.db2.gz IPEZLEGAIPOVNN-OAQYLSRUSA-N 0 0 455.647 4.824 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)ccc1Cl ZINC001441171794 1066010979 /nfs/dbraw/zinc/01/09/79/1066010979.db2.gz MLOIJEXQVBEVSV-UHFFFAOYSA-N 0 0 451.995 4.846 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001441156561 1066011007 /nfs/dbraw/zinc/01/10/07/1066011007.db2.gz ZCADKIZTTQMKOW-HMXCVIKNSA-N 0 0 451.007 4.883 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001441155352 1066011057 /nfs/dbraw/zinc/01/10/57/1066011057.db2.gz WUVGQNIWYLTKJK-UHFFFAOYSA-N 0 0 458.967 4.812 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)c2c(F)c(F)c(Br)c(F)c2F)ccc1Cl ZINC001441168346 1066011134 /nfs/dbraw/zinc/01/11/34/1066011134.db2.gz FDJAVHIUXVNRBO-UHFFFAOYSA-N 0 0 453.617 4.613 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360873945 1066011223 /nfs/dbraw/zinc/01/12/23/1066011223.db2.gz LPALRDWHAMZYOT-NJDAHSKKSA-N 0 0 478.584 4.710 20 0 JJADRN C[C@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC001441172109 1066011467 /nfs/dbraw/zinc/01/14/67/1066011467.db2.gz MABVNPNDMIVPSE-AWEZNQCLSA-N 0 0 458.584 4.649 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360874196 1066012172 /nfs/dbraw/zinc/01/21/72/1066012172.db2.gz KODDCXFEQCTFTC-CTNGQTDRSA-N 0 0 453.631 4.815 20 0 JJADRN CCN(CC)C(=O)COc1cccc(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)c1 ZINC001441184300 1066012589 /nfs/dbraw/zinc/01/25/89/1066012589.db2.gz DKYNIUAIZVLMFS-UHFFFAOYSA-N 0 0 458.356 4.738 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001441184643 1066012626 /nfs/dbraw/zinc/01/26/26/1066012626.db2.gz RXWFWZCRVDGVRI-CYBMUJFWSA-N 0 0 452.864 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC001441190661 1066013468 /nfs/dbraw/zinc/01/34/68/1066013468.db2.gz WLOKJPFUXGBKDW-UHFFFAOYSA-N 0 0 458.518 4.884 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4ccc(C(F)F)cc4F)CC3)n2)cc1 ZINC001441189274 1066013567 /nfs/dbraw/zinc/01/35/67/1066013567.db2.gz UOAHVYYHPHRBTO-UHFFFAOYSA-N 0 0 458.484 4.512 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1)C(=O)OC(C)(C)C ZINC001441190642 1066013617 /nfs/dbraw/zinc/01/36/17/1066013617.db2.gz WCKUEINKSFTOCV-UHFFFAOYSA-N 0 0 451.567 4.950 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC001441192507 1066013980 /nfs/dbraw/zinc/01/39/80/1066013980.db2.gz ZADSAMQLCCMWJF-UHFFFAOYSA-N 0 0 451.482 4.826 20 0 JJADRN COc1ccc(C(NC(=O)c2cc(F)cc(Br)c2N)c2ccc(OC)cc2)cc1 ZINC001441199505 1066014793 /nfs/dbraw/zinc/01/47/93/1066014793.db2.gz XRTREKZFFWCQBA-UHFFFAOYSA-N 0 0 459.315 4.707 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCc4ccc(Cl)nc4C3)n2CCC(=O)NC(C)C)c1C ZINC001360874727 1066015009 /nfs/dbraw/zinc/01/50/09/1066015009.db2.gz OCKINIDZEKKLOC-LJQANCHMSA-N 0 0 497.043 4.561 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1 ZINC001441201612 1066014989 /nfs/dbraw/zinc/01/49/89/1066014989.db2.gz XILPNGDFOKTYMQ-UHFFFAOYSA-N 0 0 450.604 4.766 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@H]3C)n2CCN(C)CC(F)(F)F)c1C ZINC001360874976 1066015920 /nfs/dbraw/zinc/01/59/20/1066015920.db2.gz VSGFKVGSELRPEP-BHIYHBOVSA-N 0 0 453.553 4.764 20 0 JJADRN CCc1ccc(CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C2CC2)cc1 ZINC001441214909 1066016209 /nfs/dbraw/zinc/01/62/09/1066016209.db2.gz HBJCZHRRVDEVPG-UHFFFAOYSA-N 0 0 454.617 4.594 20 0 JJADRN Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c(C)c1 ZINC001441219179 1066016476 /nfs/dbraw/zinc/01/64/76/1066016476.db2.gz HYTCWUKFROYOQY-UHFFFAOYSA-N 0 0 457.423 4.783 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C/C=C\c2ccc(C(C)C)cc2)CC1 ZINC001441227271 1066016763 /nfs/dbraw/zinc/01/67/63/1066016763.db2.gz MUTFEZDYHCNITL-NZHPTEEQSA-N 0 0 454.998 4.925 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1Cc1cc2ccccc2s1 ZINC001545939478 1066016793 /nfs/dbraw/zinc/01/67/93/1066016793.db2.gz CFLQEGMDUUFFAY-GOSISDBHSA-N 0 0 457.669 4.791 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2CCCO[C@H]2CCOC2)c1C ZINC001360875118 1066016783 /nfs/dbraw/zinc/01/67/83/1066016783.db2.gz QLVIIALLWJVCHQ-XPWALMASSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H]2CSCCS2)c1C ZINC001360875206 1066016849 /nfs/dbraw/zinc/01/68/49/1066016849.db2.gz XRJHLQLCULSXCS-DLBZAZTESA-N 0 0 454.612 4.729 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C/C=C\c2ccc(C(C)C)cc2)CC1 ZINC001441227274 1066016900 /nfs/dbraw/zinc/01/69/00/1066016900.db2.gz MUTFEZDYHCNITL-OVMSLRDFSA-N 0 0 454.998 4.925 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H]1CCCCC(F)(F)C1 ZINC001545939477 1066016959 /nfs/dbraw/zinc/01/69/59/1066016959.db2.gz CETPCFYXOJPJFF-ZACQAIPSSA-N 0 0 457.635 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1C ZINC001360875550 1066018255 /nfs/dbraw/zinc/01/82/55/1066018255.db2.gz VHULAMWGQVYAKC-VXKWHMMOSA-N 0 0 485.673 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360875574 1066018552 /nfs/dbraw/zinc/01/85/52/1066018552.db2.gz VSIZBKWLJGDYRG-NRSPTQNISA-N 0 0 495.590 4.534 20 0 JJADRN O=C(N[C@H](C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1)OCc1ccccc1 ZINC001441242442 1066018934 /nfs/dbraw/zinc/01/89/34/1066018934.db2.gz LISICZOMOFPNLK-DEOSSOPVSA-N 0 0 454.486 4.875 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC001441244839 1066019560 /nfs/dbraw/zinc/01/95/60/1066019560.db2.gz QDOXDPLWKLIBSQ-GOSISDBHSA-N 0 0 452.312 4.503 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@]2(O)CCCC2(C)C)c1C ZINC001360875796 1066019680 /nfs/dbraw/zinc/01/96/80/1066019680.db2.gz ZDFPNSQEDYTYTD-JDRJUVJTSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360875836 1066020180 /nfs/dbraw/zinc/02/01/80/1066020180.db2.gz ZOCAAKYJNWBXSJ-HSZRJFAPSA-N 0 0 469.674 4.916 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)cc2)cc1 ZINC001441247070 1066020196 /nfs/dbraw/zinc/02/01/96/1066020196.db2.gz UDBMKZXODDWTTF-GKVQRAMASA-N 0 0 456.608 4.927 20 0 JJADRN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc2[nH]cc(I)c2c1 ZINC001441249695 1066020844 /nfs/dbraw/zinc/02/08/44/1066020844.db2.gz WTIIAMBPVMHASH-UHFFFAOYSA-N 0 0 456.243 4.607 20 0 JJADRN C[C@H](C(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2O)c1)n1cccn1 ZINC001441251874 1066021282 /nfs/dbraw/zinc/02/12/82/1066021282.db2.gz YDLBLEYLJIMCTG-LJQANCHMSA-N 0 0 454.530 4.826 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC2(C)CCC2)c1C ZINC001360876804 1066021492 /nfs/dbraw/zinc/02/14/92/1066021492.db2.gz BOQZHWHJJFMJOQ-FGZHOGPDSA-N 0 0 467.658 4.918 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc2)C1 ZINC001441277727 1066022406 /nfs/dbraw/zinc/02/24/06/1066022406.db2.gz KEXZZMADRSCHRW-MRXNPFEDSA-N 0 0 455.580 4.798 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc(Cl)c1O ZINC001441301515 1066023867 /nfs/dbraw/zinc/02/38/67/1066023867.db2.gz WHCLHRHDYQIISS-UHFFFAOYSA-N 0 0 455.338 4.597 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCOC[C@@H]3C(F)(F)F)c12 ZINC001360877803 1066024029 /nfs/dbraw/zinc/02/40/29/1066024029.db2.gz MEFBLQCLXWGLBB-OAHLLOKOSA-N 0 0 459.346 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cccnc2OC2CCCC2)CC[C@H]2CCCC[C@@H]21 ZINC001441309905 1066024201 /nfs/dbraw/zinc/02/42/01/1066024201.db2.gz LRAZPGSEKTZKFC-COPCDDAFSA-N 0 0 457.615 4.978 20 0 JJADRN CCCO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(F)cc1C ZINC001360878112 1066024460 /nfs/dbraw/zinc/02/44/60/1066024460.db2.gz RDBMLGFQYVPGLQ-NRFANRHFSA-N 0 0 450.576 4.626 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2CCC(F)(F)CC2)c1C ZINC001360878065 1066024845 /nfs/dbraw/zinc/02/48/45/1066024845.db2.gz QWSASEXBSHXOAD-ICSRJNTNSA-N 0 0 475.584 4.562 20 0 JJADRN O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001441311851 1066024839 /nfs/dbraw/zinc/02/48/39/1066024839.db2.gz NWEJTDIGEHAFBY-UHFFFAOYSA-N 0 0 457.456 4.885 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H](CC)Cc3cccc(C)c3)cc2)CC1 ZINC001360878443 1066025834 /nfs/dbraw/zinc/02/58/34/1066025834.db2.gz XTVUHCFHSQTSNE-NRFANRHFSA-N 0 0 450.579 4.618 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1C ZINC001441315690 1066025971 /nfs/dbraw/zinc/02/59/71/1066025971.db2.gz DTIRTKHOFGNLBP-NRFANRHFSA-N 0 0 456.949 4.549 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCCSC2)c1C ZINC001360878497 1066026503 /nfs/dbraw/zinc/02/65/03/1066026503.db2.gz VTPXXMVVZRHPPD-VQTJNVASSA-N 0 0 479.641 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C2CC2)c1C ZINC001360878644 1066026563 /nfs/dbraw/zinc/02/65/63/1066026563.db2.gz XFYMXGBNOIYADW-MJGOQNOKSA-N 0 0 455.603 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1ccc(C)cc1OCC1CC1 ZINC001545940202 1066026628 /nfs/dbraw/zinc/02/66/28/1066026628.db2.gz UHGOPLRWYRYEHW-OALUTQOASA-N 0 0 485.698 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCOC(C)C)c1C ZINC001360878763 1066026945 /nfs/dbraw/zinc/02/69/45/1066026945.db2.gz ZUSHMZDPJGYCEJ-PMACEKPBSA-N 0 0 483.579 4.533 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319803 1066027423 /nfs/dbraw/zinc/02/74/23/1066027423.db2.gz ZOJLGPKCUZEAFM-HUUCEWRRSA-N 0 0 458.584 4.861 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360878865 1066027457 /nfs/dbraw/zinc/02/74/57/1066027457.db2.gz BOCFLMIXTXUUBJ-RDGATRHJSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@H](C)C3)n2CCCOCC(F)F)c1C ZINC001360878847 1066027481 /nfs/dbraw/zinc/02/74/81/1066027481.db2.gz BJJLJRUFMGXIDP-AEFFLSMTSA-N 0 0 454.587 4.648 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360878877 1066027754 /nfs/dbraw/zinc/02/77/54/1066027754.db2.gz BPGDBXOEBLTONJ-ROMRWMGNSA-N 0 0 472.680 4.946 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCn2cc(Cl)cn2)c1C ZINC001360878868 1066027803 /nfs/dbraw/zinc/02/78/03/1066027803.db2.gz BOOAECMAHYWRRR-FUHWJXTLSA-N 0 0 461.035 4.527 20 0 JJADRN Cc1cccc([C@H](CNC(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)N2CCOCC2)c1 ZINC001441321698 1066027994 /nfs/dbraw/zinc/02/79/94/1066027994.db2.gz VVIORRIVJKOMHS-MSTPFNHUSA-N 0 0 454.439 4.653 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2Cc2nccc(C(F)F)n2)c1C ZINC001360879082 1066028622 /nfs/dbraw/zinc/02/86/22/1066028622.db2.gz FUSXBDINTDPFGC-NVXWUHKLSA-N 0 0 474.581 4.753 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCCC(F)(F)F)c1C ZINC001360879145 1066028898 /nfs/dbraw/zinc/02/88/98/1066028898.db2.gz GZWJAWJFBLFDMD-PWHSHALESA-N 0 0 482.547 4.762 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1Cl)c1ccccc1 ZINC001441328747 1066028977 /nfs/dbraw/zinc/02/89/77/1066028977.db2.gz QYGGHMYCIWRQJQ-FUHWJXTLSA-N 0 0 451.958 4.628 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC(C)(C)C(C)C)c1C ZINC001360879105 1066029050 /nfs/dbraw/zinc/02/90/50/1066029050.db2.gz FYDYGBFDAYFACX-BDTNDASRSA-N 0 0 467.658 4.680 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2(O)CCCC2)c1C ZINC001360879214 1066029889 /nfs/dbraw/zinc/02/98/89/1066029889.db2.gz IAUBVKGCNATGLV-LVXARBLLSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CCCC(C)C)c1C ZINC001360879389 1066029989 /nfs/dbraw/zinc/02/99/89/1066029989.db2.gz KMOIBQLCJSUVPX-CUNXSJBXSA-N 0 0 480.657 4.957 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCOC[C@H]2C)c1C ZINC001360879464 1066030230 /nfs/dbraw/zinc/03/02/30/1066030230.db2.gz LKVJSSRJQFOFES-PSWRPDDJSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCC4)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360879568 1066031295 /nfs/dbraw/zinc/03/12/95/1066031295.db2.gz MQCJJLJRGGQKEO-OAQYLSRUSA-N 0 0 499.656 4.709 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)n1C1CCOCC1 ZINC001441350476 1066031508 /nfs/dbraw/zinc/03/15/08/1066031508.db2.gz TWDWRSXJSHBIIB-UHFFFAOYSA-N 0 0 453.564 4.510 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCc2nccs2)c1C ZINC001360879722 1066031625 /nfs/dbraw/zinc/03/16/25/1066031625.db2.gz PAIJGCVKQFAUPY-WMZOPIPTSA-N 0 0 481.544 4.502 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCc2cccnc2)c1C ZINC001360880002 1066031875 /nfs/dbraw/zinc/03/18/75/1066031875.db2.gz UGKWZLOZAUNLQV-URXFXBBRSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCOc2ncccc2F)c1C ZINC001360879912 1066032007 /nfs/dbraw/zinc/03/20/07/1066032007.db2.gz RSXSUDRFZUKQRP-REWPJTCUSA-N 0 0 483.588 4.509 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4ccco4)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360879949 1066032061 /nfs/dbraw/zinc/03/20/61/1066032061.db2.gz SHQSQHWRKQNUKS-ROSOWXQZSA-N 0 0 468.598 4.613 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[C@H]2C[C@H](F)C2)c1C ZINC001360880306 1066032726 /nfs/dbraw/zinc/03/27/26/1066032726.db2.gz ZDAQTSXTHRFLNH-SSGKUCQKSA-N 0 0 474.621 4.803 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2cn[nH]c2)c1C ZINC001360880360 1066033148 /nfs/dbraw/zinc/03/31/48/1066033148.db2.gz ZWGCHHVWGOPZCE-RXFWQSSRSA-N 0 0 466.630 4.642 20 0 JJADRN CO[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC001360880468 1066033187 /nfs/dbraw/zinc/03/31/87/1066033187.db2.gz CMFYUPUZDNCCTG-GOSISDBHSA-N 0 0 456.930 4.906 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001360880638 1066033474 /nfs/dbraw/zinc/03/34/74/1066033474.db2.gz HFHMGNPHYRFSQL-UHFFFAOYSA-N 0 0 456.562 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC001441358272 1066033658 /nfs/dbraw/zinc/03/36/58/1066033658.db2.gz DOCGNEJIKIUPMS-HSZRJFAPSA-N 0 0 455.643 4.763 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC001441359532 1066033964 /nfs/dbraw/zinc/03/39/64/1066033964.db2.gz RMXXIRHZHNFRAC-UHFFFAOYSA-N 0 0 456.340 4.895 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C)nnc3N(CCO)Cc3ccc(Br)s3)cc2c1C ZINC001360881251 1066033983 /nfs/dbraw/zinc/03/39/83/1066033983.db2.gz JFCMVNKYDZSQAJ-UHFFFAOYSA-N 0 0 474.428 4.556 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCN(C)CC(F)(F)F)c1C ZINC001360881210 1066034023 /nfs/dbraw/zinc/03/40/23/1066034023.db2.gz HUWDSCFGZGXDBM-QRQLOZEOSA-N 0 0 471.543 4.713 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H]4C[C@]3(C)CCC4)n2CCCC(=O)N(C)C)c1C ZINC001360881245 1066034142 /nfs/dbraw/zinc/03/41/42/1066034142.db2.gz JCTWMVYSUBCGMC-UZINWLIJSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC001360881572 1066034596 /nfs/dbraw/zinc/03/45/96/1066034596.db2.gz UTQJATCKHSAIKF-KSNOWIBYSA-N 0 0 454.636 4.966 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1)c1ccc(F)cc1F ZINC001441361421 1066034787 /nfs/dbraw/zinc/03/47/87/1066034787.db2.gz ZTNAFTNGPAKGCG-JOCHJYFZSA-N 0 0 453.489 4.653 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCN(CCOC(C)C)CC3)cc2c1C ZINC001360881940 1066034919 /nfs/dbraw/zinc/03/49/19/1066034919.db2.gz SMHHLVBEALVMFY-UHFFFAOYSA-N 0 0 466.674 4.560 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(C)C)nnc3N3CCN(CC(F)(F)C(F)F)CC3)cc2c1C ZINC001360882065 1066035300 /nfs/dbraw/zinc/03/53/00/1066035300.db2.gz WUUQYQYLDLFUCI-UHFFFAOYSA-N 0 0 466.527 4.570 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1C ZINC001360881976 1066035337 /nfs/dbraw/zinc/03/53/37/1066035337.db2.gz TZYYBIPNGYOQIU-JTHBVZDNSA-N 0 0 451.615 4.755 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3ccn(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1C ZINC001360881964 1066035366 /nfs/dbraw/zinc/03/53/66/1066035366.db2.gz SZGZMKYFQDKXRE-LJQANCHMSA-N 0 0 495.628 4.912 20 0 JJADRN COc1c(N)c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc(Cl)c1Br ZINC001441367967 1066035368 /nfs/dbraw/zinc/03/53/68/1066035368.db2.gz XZNNVNINQPGCIE-UHFFFAOYSA-N 0 0 454.752 4.849 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441367993 1066035577 /nfs/dbraw/zinc/03/55/77/1066035577.db2.gz SMGQYSQJGCXOPI-IRXDYDNUSA-N 0 0 457.534 4.598 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001360882214 1066035816 /nfs/dbraw/zinc/03/58/16/1066035816.db2.gz AWBRUVUKPSQSCX-MRXNPFEDSA-N 0 0 450.988 4.699 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC2CCCCC2)CC1 ZINC001360882829 1066036144 /nfs/dbraw/zinc/03/61/44/1066036144.db2.gz AODPKNFRXSGFHW-FQEVSTJZSA-N 0 0 469.605 4.943 20 0 JJADRN CSCc1cc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC001441372670 1066036420 /nfs/dbraw/zinc/03/64/20/1066036420.db2.gz OSBXWFWSHMDASJ-LJQANCHMSA-N 0 0 454.489 4.801 20 0 JJADRN C[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)N(C)c1ccccc1 ZINC001441380268 1066036507 /nfs/dbraw/zinc/03/65/07/1066036507.db2.gz RJPOBZSBNJJYIU-KRWDZBQOSA-N 0 0 451.364 4.935 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCCc3ccc(N4CCCCC4)cc3)cs2)cc1OC ZINC001441371553 1066036521 /nfs/dbraw/zinc/03/65/21/1066036521.db2.gz NPVZYOLLRVRDSC-UHFFFAOYSA-N 0 0 451.592 4.790 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cc(O)ccc21 ZINC001441388261 1066036890 /nfs/dbraw/zinc/03/68/90/1066036890.db2.gz DSLAZNZAXXFUJW-UHFFFAOYSA-N 0 0 454.454 4.877 20 0 JJADRN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360883509 1066037356 /nfs/dbraw/zinc/03/73/56/1066037356.db2.gz UUASNQSOSQEXSW-UXHICEINSA-N 0 0 472.033 4.613 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001441397014 1066037529 /nfs/dbraw/zinc/03/75/29/1066037529.db2.gz JVFXJWKWRRZGBP-FCHUYYIVSA-N 0 0 452.599 4.621 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)n1 ZINC001441399867 1066037548 /nfs/dbraw/zinc/03/75/48/1066037548.db2.gz ATFQCWFNEJHMKW-MRXNPFEDSA-N 0 0 452.580 4.589 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360883452 1066037666 /nfs/dbraw/zinc/03/76/66/1066037666.db2.gz SENDWKMDCZZCLY-JOCHJYFZSA-N 0 0 462.436 4.914 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(OCc2cccnc2)cc1 ZINC001441406531 1066038419 /nfs/dbraw/zinc/03/84/19/1066038419.db2.gz NANAKJQECSJQBN-QGZVFWFLSA-N 0 0 451.523 4.769 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001360883956 1066038371 /nfs/dbraw/zinc/03/83/71/1066038371.db2.gz HXNOQNZSANXCID-OAQYLSRUSA-N 0 0 459.564 4.579 20 0 JJADRN CSC1(CNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CCOCC1 ZINC001360884337 1066038437 /nfs/dbraw/zinc/03/84/37/1066038437.db2.gz QZMGOFIGAWKZKT-UHFFFAOYSA-N 0 0 450.029 4.750 20 0 JJADRN C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC001441404195 1066038430 /nfs/dbraw/zinc/03/84/30/1066038430.db2.gz IUIXJJFCXOZATP-WOIUINJBSA-N 0 0 453.583 4.731 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC[C@H]2CCOC2)CC1 ZINC001360884640 1066038656 /nfs/dbraw/zinc/03/86/56/1066038656.db2.gz AJMNNNHYDFYOQW-GOSISDBHSA-N 0 0 493.421 4.836 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)C1CCCC1 ZINC001441408840 1066038688 /nfs/dbraw/zinc/03/86/88/1066038688.db2.gz WKTFJBKFCCYGIM-OAQYLSRUSA-N 0 0 458.580 4.574 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2ccco2)CC1 ZINC001360884903 1066039103 /nfs/dbraw/zinc/03/91/03/1066039103.db2.gz LFGBZWVDCWTYHG-UHFFFAOYSA-N 0 0 460.365 4.821 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001360884856 1066039138 /nfs/dbraw/zinc/03/91/38/1066039138.db2.gz JGVKXAIWGZYKLM-LJQANCHMSA-N 0 0 462.541 4.536 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001360884908 1066039150 /nfs/dbraw/zinc/03/91/50/1066039150.db2.gz LLTKOTPYJKWNDI-AREMUKBSSA-N 0 0 454.615 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(OCC(F)(F)F)nc1)C1CCCCCC1 ZINC001441413252 1066039164 /nfs/dbraw/zinc/03/91/64/1066039164.db2.gz ATNIJYNKTMGYIF-SFHVURJKSA-N 0 0 459.509 4.503 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001441415497 1066039441 /nfs/dbraw/zinc/03/94/41/1066039441.db2.gz FVPUPEACLMYKJE-SFHVURJKSA-N 0 0 458.986 4.695 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001441420190 1066039635 /nfs/dbraw/zinc/03/96/35/1066039635.db2.gz JRXFFNWSYAESNT-DNQXCXABSA-N 0 0 458.558 4.626 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360885147 1066039909 /nfs/dbraw/zinc/03/99/09/1066039909.db2.gz VHRMTWPAQOCSSE-UHFFFAOYSA-N 0 0 462.451 4.869 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001360885114 1066039936 /nfs/dbraw/zinc/03/99/36/1066039936.db2.gz TVUARSVDMDJPTC-QFIPXVFZSA-N 0 0 457.372 4.755 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2CCOCC(F)F)cc1Br ZINC001360885157 1066040014 /nfs/dbraw/zinc/04/00/14/1066040014.db2.gz VOGGPDZCZNIROQ-UHFFFAOYSA-N 0 0 455.347 4.844 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)CCCc2cc(F)ccc2F)c1 ZINC001360885507 1066040350 /nfs/dbraw/zinc/04/03/50/1066040350.db2.gz KDXDRBNMSODRHV-UHFFFAOYSA-N 0 0 450.551 4.879 20 0 JJADRN COc1ccc(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1N1CCCCC1=O ZINC001441428527 1066040764 /nfs/dbraw/zinc/04/07/64/1066040764.db2.gz XOIVTNBUBMTRGY-UHFFFAOYSA-N 0 0 453.539 4.740 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC001441427855 1066040817 /nfs/dbraw/zinc/04/08/17/1066040817.db2.gz ZFVXAIVSUHBBNA-NJDAHSKKSA-N 0 0 450.579 4.632 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CSCCS2)CC1 ZINC001360887626 1066041253 /nfs/dbraw/zinc/04/12/53/1066041253.db2.gz BJYUDNYOLDIBLC-PMACEKPBSA-N 0 0 493.743 4.788 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCOC3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001360887968 1066041407 /nfs/dbraw/zinc/04/14/07/1066041407.db2.gz LMOIJMZLAUQKSV-NRFANRHFSA-N 0 0 467.614 4.918 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001545941831 1066041864 /nfs/dbraw/zinc/04/18/64/1066041864.db2.gz BEXZVDJKDMZKGE-UYRXBGFRSA-N 0 0 454.395 4.636 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC001360888928 1066041835 /nfs/dbraw/zinc/04/18/35/1066041835.db2.gz NDCXFQJMOSXSNE-OAHLLOKOSA-N 0 0 457.423 4.834 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC001360888882 1066041975 /nfs/dbraw/zinc/04/19/75/1066041975.db2.gz LXCUFGIGZAXBEC-UHFFFAOYSA-N 0 0 453.004 4.633 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC001360889154 1066042174 /nfs/dbraw/zinc/04/21/74/1066042174.db2.gz VOAALRSMCMTFFO-KBPBESRZSA-N 0 0 452.407 4.982 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)C1 ZINC001360890416 1066042578 /nfs/dbraw/zinc/04/25/78/1066042578.db2.gz JCJMWQAANCNOAE-XUVXKRRUSA-N 0 0 454.636 4.833 20 0 JJADRN O=C(C/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001360890001 1066042604 /nfs/dbraw/zinc/04/26/04/1066042604.db2.gz AIVKJWGBFNQWJY-OWOJBTEDSA-N 0 0 458.747 4.998 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360889695 1066042669 /nfs/dbraw/zinc/04/26/69/1066042669.db2.gz PDZHKHPFNMDGBU-IBGZPJMESA-N 0 0 467.967 4.953 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001360889644 1066042731 /nfs/dbraw/zinc/04/27/31/1066042731.db2.gz NJCZQDDKYGPZSN-UHFFFAOYSA-N 0 0 491.949 4.990 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](NC(=O)OCC)C1 ZINC001441462550 1066043073 /nfs/dbraw/zinc/04/30/73/1066043073.db2.gz GGWVHJSOHPBVDZ-CYBMUJFWSA-N 0 0 454.354 4.952 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)=C(C)C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360891679 1066043088 /nfs/dbraw/zinc/04/30/88/1066043088.db2.gz BLFNTZJDEFFVNX-JOCHJYFZSA-N 0 0 486.060 4.713 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001360890564 1066043163 /nfs/dbraw/zinc/04/31/63/1066043163.db2.gz MGJXVKGTTVMCBU-QZTJIDSGSA-N 0 0 459.077 4.651 20 0 JJADRN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001441466036 1066043747 /nfs/dbraw/zinc/04/37/47/1066043747.db2.gz QZDRRBFJFPHWSW-ROUUACIJSA-N 0 0 452.986 4.639 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001360892552 1066044542 /nfs/dbraw/zinc/04/45/42/1066044542.db2.gz CZKMNOVXYJPJOI-JGCGQSQUSA-N 0 0 456.656 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001545942190 1066044571 /nfs/dbraw/zinc/04/45/71/1066044571.db2.gz MYODZWYCWVFJGJ-XZOQPEGZSA-N 0 0 452.595 4.787 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C(F)(F)F)cc3)CC2)oc1C ZINC001360892705 1066044681 /nfs/dbraw/zinc/04/46/81/1066044681.db2.gz JFXYEFLVZGNFKY-UHFFFAOYSA-N 0 0 476.547 4.570 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360893103 1066045631 /nfs/dbraw/zinc/04/56/31/1066045631.db2.gz YUGUCUYKKIAMHE-XUVXKRRUSA-N 0 0 469.596 4.627 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC(C)(C)Cc3oc(C)cc31)C2=O ZINC001441479206 1066045673 /nfs/dbraw/zinc/04/56/73/1066045673.db2.gz FLCXDGJVRUPSJZ-QMURQMLYSA-N 0 0 457.615 4.635 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360893126 1066045658 /nfs/dbraw/zinc/04/56/58/1066045658.db2.gz ZPPITOCTTPRIHB-QGZVFWFLSA-N 0 0 473.593 4.704 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc(C(=O)OC(C)(C)C)c1 ZINC001360893395 1066046169 /nfs/dbraw/zinc/04/61/69/1066046169.db2.gz JIMJKSHZACBXHT-UHFFFAOYSA-N 0 0 453.930 4.709 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4ccccc4Cl)n3CCSC(C)C)CC2)oc1C ZINC001360894139 1066046433 /nfs/dbraw/zinc/04/64/33/1066046433.db2.gz IYCFPHKCYJYEHK-UHFFFAOYSA-N 0 0 475.062 4.667 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCCC3(F)F)C2)sc1C ZINC001360894260 1066046464 /nfs/dbraw/zinc/04/64/64/1066046464.db2.gz LSQJMXPOSBTSFB-ROUUACIJSA-N 0 0 480.629 4.699 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001441493309 1066046619 /nfs/dbraw/zinc/04/66/19/1066046619.db2.gz GXCUQXNSOAUAMS-MGPUTAFESA-N 0 0 452.542 4.716 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001441493321 1066046677 /nfs/dbraw/zinc/04/66/77/1066046677.db2.gz GXCUQXNSOAUAMS-QRWLVFNGSA-N 0 0 452.542 4.716 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCCC3(F)F)C2)sc1C ZINC001360894259 1066046584 /nfs/dbraw/zinc/04/65/84/1066046584.db2.gz LSQJMXPOSBTSFB-QZTJIDSGSA-N 0 0 480.629 4.699 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccccn4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360894560 1066047183 /nfs/dbraw/zinc/04/71/83/1066047183.db2.gz QHQMVBKVOSRIEH-VQIMIIECSA-N 0 0 497.669 4.711 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCOC3CCCCC3)C2)sc1C ZINC001360894594 1066047283 /nfs/dbraw/zinc/04/72/83/1066047283.db2.gz QZZQCRUGXRCMRG-HXUWFJFHSA-N 0 0 488.702 4.613 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C4CC4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894544 1066047346 /nfs/dbraw/zinc/04/73/46/1066047346.db2.gz QBRQPRLVLNXBME-KXBFYZLASA-N 0 0 474.675 4.774 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)cc(OC)c1OC ZINC001441510567 1066047556 /nfs/dbraw/zinc/04/75/56/1066047556.db2.gz QFHHJNVIFJAPCT-SNVBAGLBSA-N 0 0 451.292 4.586 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C)n3Cc3ccc(NC(=O)NC(C)C)cc3)C2)sc1C ZINC001360894865 1066047658 /nfs/dbraw/zinc/04/76/58/1066047658.db2.gz XCXYXNCNBNBTGC-FQEVSTJZSA-N 0 0 467.643 4.622 20 0 JJADRN O=C(CC1CCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1)N1CCCC1 ZINC001441517191 1066047743 /nfs/dbraw/zinc/04/77/43/1066047743.db2.gz AJZYRMFMYQUXEX-UHFFFAOYSA-N 0 0 459.999 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)C1(C)C ZINC001441534988 1066048847 /nfs/dbraw/zinc/04/88/47/1066048847.db2.gz CQLBJVTUGNUUOO-IAGOWNOFSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C[C@H](C)C2)sc1C ZINC001360895895 1066048832 /nfs/dbraw/zinc/04/88/32/1066048832.db2.gz OSTISFODRIXZDR-STQMWFEESA-N 0 0 463.449 4.834 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC4CC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360895781 1066048891 /nfs/dbraw/zinc/04/88/91/1066048891.db2.gz LYIQLLWFKLZHQI-LJQANCHMSA-N 0 0 488.702 4.991 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)C)n3CCCN(C)CC(F)(F)F)C2)sc1C ZINC001360895838 1066048944 /nfs/dbraw/zinc/04/89/44/1066048944.db2.gz NGNZMMUGVISWQV-GOSISDBHSA-N 0 0 472.625 4.818 20 0 JJADRN Cc1cccc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCCC1 ZINC001441539198 1066049198 /nfs/dbraw/zinc/04/91/98/1066049198.db2.gz KLRPZPMLHMCAIX-UXHICEINSA-N 0 0 457.615 4.843 20 0 JJADRN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441538277 1066049358 /nfs/dbraw/zinc/04/93/58/1066049358.db2.gz VSXYWGHVGZYYSE-OAHLLOKOSA-N 0 0 459.443 4.841 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CCCCCO)sc1C ZINC001360895962 1066049417 /nfs/dbraw/zinc/04/94/17/1066049417.db2.gz QEZGPWTUTFQKRC-UHFFFAOYSA-N 0 0 478.460 4.622 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)sc1C ZINC001360896100 1066049748 /nfs/dbraw/zinc/04/97/48/1066049748.db2.gz ULLAFTONPVKTLB-RDTXWAMCSA-N 0 0 499.534 4.641 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)sc1C ZINC001360896097 1066049911 /nfs/dbraw/zinc/04/99/11/1066049911.db2.gz ULLAFTONPVKTLB-KBXCAEBGSA-N 0 0 499.534 4.641 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001441557947 1066050758 /nfs/dbraw/zinc/05/07/58/1066050758.db2.gz GLSVGYVJTBSAPF-UHFFFAOYSA-N 0 0 453.967 4.816 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccccc2O[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC001360898299 1066051087 /nfs/dbraw/zinc/05/10/87/1066051087.db2.gz YBJBZGSUHZKNIK-QFQXNSOFSA-N 0 0 451.950 4.965 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)NC(=O)OC(C)(C)C ZINC001441560416 1066051242 /nfs/dbraw/zinc/05/12/42/1066051242.db2.gz MWJKFOHNSRSCTL-SCTDSRPQSA-N 0 0 451.583 4.707 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC(C)(C)c1cccs1 ZINC001545942907 1066052134 /nfs/dbraw/zinc/05/21/34/1066052134.db2.gz LARJAIVMBAJRFT-GDBMZVCRSA-N 0 0 471.593 4.870 20 0 JJADRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N2CCC=C(Br)C2)sc1C ZINC001360899139 1066052348 /nfs/dbraw/zinc/05/23/48/1066052348.db2.gz JCLDEZGKWFBPMG-UHFFFAOYSA-N 0 0 464.458 4.735 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001441598082 1066052423 /nfs/dbraw/zinc/05/24/23/1066052423.db2.gz HEVCVMAKUJKYGK-UHFFFAOYSA-N 0 0 455.274 4.970 20 0 JJADRN Cc1nc(CCn2c(Cc3ccncc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)sc1C ZINC001360899250 1066052610 /nfs/dbraw/zinc/05/26/10/1066052610.db2.gz LKRLSXZJNBZSGH-UHFFFAOYSA-N 0 0 472.540 4.634 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)sc1C ZINC001360899468 1066052749 /nfs/dbraw/zinc/05/27/49/1066052749.db2.gz NHVUENWZMMJMFF-CQSZACIVSA-N 0 0 464.060 4.765 20 0 JJADRN Cc1nc(CCn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360899627 1066053122 /nfs/dbraw/zinc/05/31/22/1066053122.db2.gz OYDOVFCWHZCGLI-FQEVSTJZSA-N 0 0 488.702 4.630 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)sc1C ZINC001360901009 1066054205 /nfs/dbraw/zinc/05/42/05/1066054205.db2.gz CANREEBSFGVVJO-OXJNMPFZSA-N 0 0 473.618 4.930 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CCCO)CC2)sc1C ZINC001360901224 1066054563 /nfs/dbraw/zinc/05/45/63/1066054563.db2.gz IWWYVEPUPCCNOJ-KRWDZBQOSA-N 0 0 473.618 4.668 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)c2ccco2)sc1C ZINC001360901565 1066054999 /nfs/dbraw/zinc/05/49/99/1066054999.db2.gz VFACGKKWTRHZBH-GFCCVEGCSA-N 0 0 461.389 4.948 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@H](C)C2)sc1C ZINC001360901432 1066055087 /nfs/dbraw/zinc/05/50/87/1066055087.db2.gz QTHTZWCDBUFCRP-CHWSQXEVSA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)sc1C ZINC001360901653 1066055350 /nfs/dbraw/zinc/05/53/50/1066055350.db2.gz XWJCLZBXBUJZKW-OAQYLSRUSA-N 0 0 493.475 4.799 20 0 JJADRN Cc1nc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360902440 1066055981 /nfs/dbraw/zinc/05/59/81/1066055981.db2.gz HLIASXZGPSCBAL-UHFFFAOYSA-N 0 0 457.401 4.794 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001360902986 1066056211 /nfs/dbraw/zinc/05/62/11/1066056211.db2.gz UXLNUUWQMRWCKT-HYFFOGBASA-N 0 0 458.521 4.557 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@H](C)[C@@H](C)C2)sc1C ZINC001360902940 1066056276 /nfs/dbraw/zinc/05/62/76/1066056276.db2.gz QJVWPSRGKSXNDC-QWRGUYRKSA-N 0 0 452.447 4.983 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](COCc4ccccc4)C3)s2)cc1OC ZINC001360903051 1066056578 /nfs/dbraw/zinc/05/65/78/1066056578.db2.gz VTKKNQJNBGFPOU-LJQANCHMSA-N 0 0 452.576 4.815 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC001360903042 1066056638 /nfs/dbraw/zinc/05/66/38/1066056638.db2.gz VPJRJMHQRYOALG-AWEZNQCLSA-N 0 0 458.274 4.990 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(Cl)ccn2)sc1C ZINC001360903113 1066056776 /nfs/dbraw/zinc/05/67/76/1066056776.db2.gz TYIZPAGPLPGDEH-UHFFFAOYSA-N 0 0 460.394 4.800 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)NCC1(c2cccs2)CCCCC1)C(=O)N1CCCC1 ZINC001360903624 1066056992 /nfs/dbraw/zinc/05/69/92/1066056992.db2.gz GWEZCCXOCIXPON-GOSISDBHSA-N 0 0 457.665 4.878 20 0 JJADRN Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)cc1OCC1CCCCC1 ZINC001360903651 1066057043 /nfs/dbraw/zinc/05/70/43/1066057043.db2.gz HRYJHPHGPORKEZ-AREMUKBSSA-N 0 0 455.599 4.783 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001441644359 1066057081 /nfs/dbraw/zinc/05/70/81/1066057081.db2.gz PIRBMWWLCVVFKR-UHFFFAOYSA-N 0 0 455.274 4.926 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001441645271 1066057093 /nfs/dbraw/zinc/05/70/93/1066057093.db2.gz SRCRWDYLVLKJPU-DEOSSOPVSA-N 0 0 459.546 4.722 20 0 JJADRN Cc1nc(Cn2c(-c3cccn3C)nnc2N(C)CCOc2cccc(Cl)c2)sc1C ZINC001360903334 1066057144 /nfs/dbraw/zinc/05/71/44/1066057144.db2.gz WYBDSGUZSQINDO-UHFFFAOYSA-N 0 0 457.003 4.574 20 0 JJADRN CCOCCCNC(=O)c1cccc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC001441652411 1066057679 /nfs/dbraw/zinc/05/76/79/1066057679.db2.gz RDZOOBQLFCTKDX-UHFFFAOYSA-N 0 0 451.592 4.826 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)sc1C ZINC001360904858 1066058829 /nfs/dbraw/zinc/05/88/29/1066058829.db2.gz GYIBYBVGESDCTB-RQBNJVACSA-N 0 0 475.703 4.960 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441662626 1066059146 /nfs/dbraw/zinc/05/91/46/1066059146.db2.gz MAPYNNNHXWWKCG-VUNQTZOZSA-N 0 0 454.979 4.526 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@H](C)C2)sc1C ZINC001360905529 1066059468 /nfs/dbraw/zinc/05/94/68/1066059468.db2.gz SWVBPPNYSCRYDE-QGZVFWFLSA-N 0 0 469.655 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441670949 1066059571 /nfs/dbraw/zinc/05/95/71/1066059571.db2.gz YNGLYTOGRJFVGO-RTWAWAEBSA-N 0 0 452.942 4.761 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C(F)(F)F)CC2)sc1C ZINC001360905501 1066059630 /nfs/dbraw/zinc/05/96/30/1066059630.db2.gz RPKNQDKNEYRGSH-UHFFFAOYSA-N 0 0 469.508 4.897 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3ccc(F)cc3)CC2)sc1C ZINC001360905603 1066059828 /nfs/dbraw/zinc/05/98/28/1066059828.db2.gz WBIACTDXSPFYKJ-MRXNPFEDSA-N 0 0 456.635 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC001441674575 1066060007 /nfs/dbraw/zinc/06/00/07/1066060007.db2.gz STPIKOUJDYEHLG-IBGZPJMESA-N 0 0 451.567 4.948 20 0 JJADRN Cc1nc(Cn2c(N(C)[C@@H](C)c3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360905542 1066059928 /nfs/dbraw/zinc/05/99/28/1066059928.db2.gz TXQWTYFYSSWYQS-XDHUDOTRSA-N 0 0 473.618 4.777 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)[nH]n2)c1C ZINC001441678463 1066060235 /nfs/dbraw/zinc/06/02/35/1066060235.db2.gz BXZZSTKYCCDMAV-KRWDZBQOSA-N 0 0 459.598 4.956 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)[nH]n2)c1C ZINC001441678470 1066060274 /nfs/dbraw/zinc/06/02/74/1066060274.db2.gz BXZZSTKYCCDMAV-QGZVFWFLSA-N 0 0 459.598 4.956 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492597691 1066061277 /nfs/dbraw/zinc/06/12/77/1066061277.db2.gz DUSOAHZZDVUIAU-RTWAWAEBSA-N 0 0 471.646 4.698 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCC(C)(F)F ZINC001360907508 1066062034 /nfs/dbraw/zinc/06/20/34/1066062034.db2.gz IFURGYNCJIWPDM-UHFFFAOYSA-N 0 0 476.597 4.773 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C)cn1 ZINC001441697768 1066062639 /nfs/dbraw/zinc/06/26/39/1066062639.db2.gz VAWZUAHYUDVPQZ-VWLOTQADSA-N 0 0 457.571 4.830 20 0 JJADRN Cn1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c2cc(F)ccc21 ZINC001441704409 1066062833 /nfs/dbraw/zinc/06/28/33/1066062833.db2.gz VLMNDQUTGHCBDB-UHFFFAOYSA-N 0 0 451.448 4.877 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC001441717261 1066063869 /nfs/dbraw/zinc/06/38/69/1066063869.db2.gz UIEVSZWDTJPQDG-UHFFFAOYSA-N 0 0 455.436 4.643 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1CCCNC(=O)C1CCC1 ZINC001360908447 1066064149 /nfs/dbraw/zinc/06/41/49/1066064149.db2.gz KYCLIQPOIHNCRG-UHFFFAOYSA-N 0 0 492.571 4.682 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCCS(C)(=O)=O)n1CCC1(F)CCC1 ZINC001360908640 1066064185 /nfs/dbraw/zinc/06/41/85/1066064185.db2.gz OMJHZBAREQHLNB-UHFFFAOYSA-N 0 0 491.658 4.530 20 0 JJADRN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)c1cc(-n2ccnc2)ccc1O ZINC001441724049 1066064167 /nfs/dbraw/zinc/06/41/67/1066064167.db2.gz NEEWBKHSGVNTJV-UHFFFAOYSA-N 0 0 455.337 4.640 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCNC(=O)OC(C)(C)C ZINC001360908705 1066064416 /nfs/dbraw/zinc/06/44/16/1066064416.db2.gz PKLUOCCLPHIMDQ-LJQANCHMSA-N 0 0 498.653 4.517 20 0 JJADRN Cc1c(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001441728431 1066064713 /nfs/dbraw/zinc/06/47/13/1066064713.db2.gz SJUWMLJPMHPQLB-UHFFFAOYSA-N 0 0 458.559 4.797 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCCNC(=O)C(C)C ZINC001360909073 1066065244 /nfs/dbraw/zinc/06/52/44/1066065244.db2.gz WZHIKVRPMVYQQL-ROUUACIJSA-N 0 0 466.655 4.632 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1CC[C@@H](C)c1ccccc1 ZINC001360909002 1066065261 /nfs/dbraw/zinc/06/52/61/1066065261.db2.gz URTGMJWDUNQUCJ-LJQANCHMSA-N 0 0 468.671 4.833 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)[C@H](C)C2)n1CCCNC(=O)C(C)C ZINC001360909071 1066065408 /nfs/dbraw/zinc/06/54/08/1066065408.db2.gz WZHIKVRPMVYQQL-HDICACEKSA-N 0 0 466.655 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC001441735818 1066065713 /nfs/dbraw/zinc/06/57/13/1066065713.db2.gz WFPUIWBBWJSNOQ-GOSISDBHSA-N 0 0 455.580 4.771 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)C(C)C ZINC001360910270 1066065648 /nfs/dbraw/zinc/06/56/48/1066065648.db2.gz BALBFUQOCQOAKD-MSOLQXFVSA-N 0 0 460.692 4.854 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1CC1CCCCC1 ZINC001360909225 1066065793 /nfs/dbraw/zinc/06/57/93/1066065793.db2.gz YXPZHQRWCVJRPF-UHFFFAOYSA-N 0 0 472.581 4.516 20 0 JJADRN Cc1nc(NC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)sc1-c1ccccc1 ZINC001441740742 1066066075 /nfs/dbraw/zinc/06/60/75/1066066075.db2.gz VYUZVYXSMJLUND-MRXNPFEDSA-N 0 0 453.568 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)ccn2)CC1 ZINC001441738376 1066066119 /nfs/dbraw/zinc/06/61/19/1066066119.db2.gz RXRFIZQKRGNQMY-QFIPXVFZSA-N 0 0 452.599 4.656 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC(C)C ZINC001360910584 1066066531 /nfs/dbraw/zinc/06/65/31/1066066531.db2.gz KDKRSBYIMHMASK-UHFFFAOYSA-N 0 0 458.676 4.775 20 0 JJADRN NC(=O)c1cccc(OCCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1 ZINC001441744574 1066066986 /nfs/dbraw/zinc/06/69/86/1066066986.db2.gz AZCBOQDKVNGOFX-UHFFFAOYSA-N 0 0 450.347 4.547 20 0 JJADRN Cc1sc(NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)nc1-c1cccc(Cl)c1 ZINC001441747508 1066067209 /nfs/dbraw/zinc/06/72/09/1066067209.db2.gz ULSTZQJEXSJGCN-UHFFFAOYSA-N 0 0 455.971 4.535 20 0 JJADRN Cc1cn2c(ncc(C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)c2=O)s1 ZINC001441746962 1066067292 /nfs/dbraw/zinc/06/72/92/1066067292.db2.gz JWWCNOUVXCFVRL-UHFFFAOYSA-N 0 0 451.360 4.671 20 0 JJADRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2=O ZINC001441745096 1066067302 /nfs/dbraw/zinc/06/73/02/1066067302.db2.gz WXJFAVSVOLRLFO-VGSWGCGISA-N 0 0 452.382 4.548 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCC(F)(F)F ZINC001360910771 1066067384 /nfs/dbraw/zinc/06/73/84/1066067384.db2.gz OPYPVHCFLDVFJJ-INIZCTEOSA-N 0 0 486.608 4.762 20 0 JJADRN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1c(Br)nc2n1CCCC2 ZINC001441752197 1066067787 /nfs/dbraw/zinc/06/77/87/1066067787.db2.gz RJLWHPWJVOUMJM-UHFFFAOYSA-N 0 0 451.777 4.935 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCCCCO ZINC001360911048 1066067848 /nfs/dbraw/zinc/06/78/48/1066067848.db2.gz VELAZXAKIPUTOA-QAPCUYQASA-N 0 0 495.571 4.696 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC(C)C ZINC001360911139 1066067860 /nfs/dbraw/zinc/06/78/60/1066067860.db2.gz XSKGHPXMBSBDRV-UHFFFAOYSA-N 0 0 466.655 4.728 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCOC(C)(C)C ZINC001360911202 1066068300 /nfs/dbraw/zinc/06/83/00/1066068300.db2.gz YICYFWYIUXTGHO-KRWDZBQOSA-N 0 0 495.571 4.960 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360911665 1066068683 /nfs/dbraw/zinc/06/86/83/1066068683.db2.gz SQBFWLFKHKRKKV-KRWDZBQOSA-N 0 0 466.483 4.692 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(Oc4ccc(Cl)cn4)c3)C2)n1 ZINC001441773178 1066068874 /nfs/dbraw/zinc/06/88/74/1066068874.db2.gz MTEJPIXECRZBPV-GOSISDBHSA-N 0 0 450.926 4.722 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)n1 ZINC001441771090 1066068917 /nfs/dbraw/zinc/06/89/17/1066068917.db2.gz JUUXKGQGEDZBGB-YKSBVNFPSA-N 0 0 455.558 4.602 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)n1 ZINC001441771082 1066069051 /nfs/dbraw/zinc/06/90/51/1066069051.db2.gz JUUXKGQGEDZBGB-RDPSFJRHSA-N 0 0 455.558 4.602 20 0 JJADRN O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001441776175 1066069482 /nfs/dbraw/zinc/06/94/82/1066069482.db2.gz STNMXUFTTXEXEF-UHFFFAOYSA-N 0 0 450.844 4.507 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)F ZINC001360913109 1066069855 /nfs/dbraw/zinc/06/98/55/1066069855.db2.gz MTMIBNFJKLSHAG-UHFFFAOYSA-N 0 0 471.325 4.602 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(Cc4cccc(F)c4)s3)n[nH]2)c(OC)c1 ZINC001441792752 1066069739 /nfs/dbraw/zinc/06/97/39/1066069739.db2.gz ZQSFBCSUIUTALK-UHFFFAOYSA-N 0 0 452.511 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCCCOCCc3ccccc3)cc2C1 ZINC001441792510 1066069808 /nfs/dbraw/zinc/06/98/08/1066069808.db2.gz KWKLIFMMBPWXLK-UHFFFAOYSA-N 0 0 458.624 4.811 20 0 JJADRN COc1cc(CN(C)C(=O)Cc2ccc(OCc3ccncc3)cc2)c(SC)cc1OC ZINC001360913771 1066070171 /nfs/dbraw/zinc/07/01/71/1066070171.db2.gz IHUXWKWGJVAZBS-UHFFFAOYSA-N 0 0 452.576 4.601 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001360913710 1066070184 /nfs/dbraw/zinc/07/01/84/1066070184.db2.gz GYLCHJRXOUZZPJ-NIRIFSCTSA-N 0 0 454.636 4.699 20 0 JJADRN Cc1nc(NC(=O)c2cccc3nc[nH]c(=O)c32)sc1Cc1cccc(Br)c1 ZINC001441796924 1066070183 /nfs/dbraw/zinc/07/01/83/1066070183.db2.gz HQGZHLBPHNIFGK-UHFFFAOYSA-N 0 0 455.337 4.706 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001441807014 1066070822 /nfs/dbraw/zinc/07/08/22/1066070822.db2.gz BDXISVXUWVPTKT-UHFFFAOYSA-N 0 0 456.757 4.688 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c2ccccc2)cc1 ZINC001360915226 1066070984 /nfs/dbraw/zinc/07/09/84/1066070984.db2.gz AHZZNNHATJUCNH-RLWLMLJZSA-N 0 0 452.558 4.919 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 ZINC001441808170 1066071256 /nfs/dbraw/zinc/07/12/56/1066071256.db2.gz GLFWUSCBYQLSBA-UHFFFAOYSA-N 0 0 454.889 4.552 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC001360915629 1066071555 /nfs/dbraw/zinc/07/15/55/1066071555.db2.gz MUGUUYVZWCQXPG-HMNCIZAVSA-N 0 0 452.599 4.865 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360916206 1066071830 /nfs/dbraw/zinc/07/18/30/1066071830.db2.gz FLHILCYCOMVVLB-UNMCSNQZSA-N 0 0 483.661 4.807 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 ZINC001360916569 1066072106 /nfs/dbraw/zinc/07/21/06/1066072106.db2.gz RNVNOOCRMOMPLT-FGZHOGPDSA-N 0 0 454.594 4.637 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001441813880 1066072422 /nfs/dbraw/zinc/07/24/22/1066072422.db2.gz QLBNIRYQAXJJFW-CQSZACIVSA-N 0 0 458.946 4.797 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001360917128 1066072649 /nfs/dbraw/zinc/07/26/49/1066072649.db2.gz IOPAUSNVGLCMTK-MISYRCLQSA-N 0 0 457.368 4.553 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC001360917127 1066072724 /nfs/dbraw/zinc/07/27/24/1066072724.db2.gz IOPAUSNVGLCMTK-DFQSSKMNSA-N 0 0 457.368 4.553 20 0 JJADRN CCCc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1-c1cccc(F)c1 ZINC001441817421 1066072914 /nfs/dbraw/zinc/07/29/14/1066072914.db2.gz RUDKSRGIKLUZPT-UHFFFAOYSA-N 0 0 456.512 4.637 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001360917903 1066072952 /nfs/dbraw/zinc/07/29/52/1066072952.db2.gz DXZDOGSRXHYODG-GOSISDBHSA-N 0 0 461.429 4.935 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360917920 1066073069 /nfs/dbraw/zinc/07/30/69/1066073069.db2.gz FCVQRCWNNSBRPQ-UHFFFAOYSA-N 0 0 490.073 4.725 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360917927 1066073080 /nfs/dbraw/zinc/07/30/80/1066073080.db2.gz FHKWXTYUZLZPIX-HNNXBMFYSA-N 0 0 490.008 4.588 20 0 JJADRN Cc1ccsc1CCn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001360917985 1066073372 /nfs/dbraw/zinc/07/33/72/1066073372.db2.gz GEKNBRIMUNXFTE-IBGZPJMESA-N 0 0 459.685 4.585 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCOC(C)(C)C ZINC001360918099 1066073620 /nfs/dbraw/zinc/07/36/20/1066073620.db2.gz IPLLTWZLCCMMRP-KRWDZBQOSA-N 0 0 461.607 4.816 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001360918246 1066073774 /nfs/dbraw/zinc/07/37/74/1066073774.db2.gz MTJOCUMTUNUAJV-ULQDDVLXSA-N 0 0 461.632 4.895 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360918198 1066073881 /nfs/dbraw/zinc/07/38/81/1066073881.db2.gz LWYRWNSQVOITHI-UXHICEINSA-N 0 0 499.656 4.863 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(F)ccc1Br ZINC001441824097 1066073967 /nfs/dbraw/zinc/07/39/67/1066073967.db2.gz NMWFEFKUHWDTAW-GOSISDBHSA-N 0 0 455.755 4.703 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc1Cl ZINC001441824469 1066074576 /nfs/dbraw/zinc/07/45/76/1066074576.db2.gz OQBUAJCMVNVMCJ-UWJYYQICSA-N 0 0 453.970 4.736 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(C)C ZINC001360918711 1066074666 /nfs/dbraw/zinc/07/46/66/1066074666.db2.gz ZYTOJPLFYQUSKY-UHFFFAOYSA-N 0 0 460.047 4.956 20 0 JJADRN Cc1ccccc1O[C@@H](C)CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001360918780 1066074755 /nfs/dbraw/zinc/07/47/55/1066074755.db2.gz BSCRAUJSDPKZKV-HNNXBMFYSA-N 0 0 455.908 4.862 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001360918920 1066074783 /nfs/dbraw/zinc/07/47/83/1066074783.db2.gz FLPIFAAWKZLJBV-IBGZPJMESA-N 0 0 454.573 4.741 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)cc1Cl ZINC001441829889 1066074893 /nfs/dbraw/zinc/07/48/93/1066074893.db2.gz ZIQWGBZDRSYXMF-CABCVRRESA-N 0 0 454.958 4.750 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc3cccnc32)nnc1N(C)CCOC(C)(C)C ZINC001360919780 1066075113 /nfs/dbraw/zinc/07/51/13/1066075113.db2.gz AZQFFJYFEOKUDW-UHFFFAOYSA-N 0 0 450.612 4.752 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001360919138 1066075162 /nfs/dbraw/zinc/07/51/62/1066075162.db2.gz KSVHDZXARUYBIE-LJQANCHMSA-N 0 0 455.308 4.899 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001360919829 1066075200 /nfs/dbraw/zinc/07/52/00/1066075200.db2.gz CMOFOAUIPNZVRS-GOSISDBHSA-N 0 0 472.058 4.952 20 0 JJADRN COc1ccc(NC(=O)c2n[nH]cc2C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1F ZINC001441854800 1066075373 /nfs/dbraw/zinc/07/53/73/1066075373.db2.gz QNWHZBXJMCPSCU-UHFFFAOYSA-N 0 0 456.783 4.734 20 0 JJADRN CCc1[nH]nc(Cl)c1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC001441853117 1066075447 /nfs/dbraw/zinc/07/54/47/1066075447.db2.gz MEGDLZRONYJOSF-UHFFFAOYSA-N 0 0 451.285 4.931 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360919848 1066075626 /nfs/dbraw/zinc/07/56/26/1066075626.db2.gz CXUKCLMSUZQCCH-SFHVURJKSA-N 0 0 494.434 4.716 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360920119 1066075893 /nfs/dbraw/zinc/07/58/93/1066075893.db2.gz OMLDZOOACHRQJR-UHFFFAOYSA-N 0 0 472.058 4.906 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001441875574 1066076305 /nfs/dbraw/zinc/07/63/05/1066076305.db2.gz MDNCARWAGGKHEK-QHCPKHFHSA-N 0 0 454.567 4.593 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCCCCO ZINC001360920450 1066076681 /nfs/dbraw/zinc/07/66/81/1066076681.db2.gz WZUCOFBZFZPJMD-UHFFFAOYSA-N 0 0 463.445 4.919 20 0 JJADRN CN(C)c1ccc(NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)c(C(F)(F)F)c1 ZINC001441880086 1066076905 /nfs/dbraw/zinc/07/69/05/1066076905.db2.gz ASCFXUZGJATOMD-UHFFFAOYSA-N 0 0 458.484 4.880 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccn2)nnc1N(C)Cc1csc(Br)c1 ZINC001360920429 1066076818 /nfs/dbraw/zinc/07/68/18/1066076818.db2.gz WGUWPGCZAGNIRW-UHFFFAOYSA-N 0 0 475.441 4.808 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001360920425 1066076843 /nfs/dbraw/zinc/07/68/43/1066076843.db2.gz WBYAMCRZLCMWKM-QFIPXVFZSA-N 0 0 483.682 4.880 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCOC1 ZINC001360920602 1066077129 /nfs/dbraw/zinc/07/71/29/1066077129.db2.gz YRGCPBCMYUEHPP-CQSZACIVSA-N 0 0 452.411 4.732 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3ncc(I)cc3C)c2)c(C)c1 ZINC001360922254 1066077850 /nfs/dbraw/zinc/07/78/50/1066077850.db2.gz QHXTVSAKESCECY-UHFFFAOYSA-N 0 0 459.287 4.626 20 0 JJADRN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CCC2(C1)CCOCC2 ZINC001360922592 1066077909 /nfs/dbraw/zinc/07/79/09/1066077909.db2.gz XOQJWOONUVVYJB-UHFFFAOYSA-N 0 0 451.748 4.933 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c(O)c1 ZINC001441885900 1066078371 /nfs/dbraw/zinc/07/83/71/1066078371.db2.gz FELLEIKLXUGCQL-AWEZNQCLSA-N 0 0 453.391 4.745 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 ZINC001360923202 1066078650 /nfs/dbraw/zinc/07/86/50/1066078650.db2.gz MSXKIRKNJKESOJ-HNNXBMFYSA-N 0 0 482.473 4.640 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360923322 1066078720 /nfs/dbraw/zinc/07/87/20/1066078720.db2.gz POXMJUWYXICRKE-HSALFYBXSA-N 0 0 489.686 4.619 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360923323 1066078745 /nfs/dbraw/zinc/07/87/45/1066078745.db2.gz POXMJUWYXICRKE-ZCNNSNEGSA-N 0 0 489.686 4.619 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC001441890634 1066079180 /nfs/dbraw/zinc/07/91/80/1066079180.db2.gz WPVTTYGKYYTCOE-BCHFMIIMSA-N 0 0 455.599 4.597 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360923431 1066079189 /nfs/dbraw/zinc/07/91/89/1066079189.db2.gz SULZLLMYPVKLJJ-HNNXBMFYSA-N 0 0 465.417 4.777 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360923410 1066079222 /nfs/dbraw/zinc/07/92/22/1066079222.db2.gz RPPJCFOQGMYAAM-FPOVZHCZSA-N 0 0 473.687 4.509 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360923517 1066079403 /nfs/dbraw/zinc/07/94/03/1066079403.db2.gz VXUOQGXKZXIEIA-ZCNNSNEGSA-N 0 0 489.686 4.872 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001360923489 1066079415 /nfs/dbraw/zinc/07/94/15/1066079415.db2.gz VINXKMYUXRTYHN-LJQANCHMSA-N 0 0 477.581 4.664 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360923514 1066079439 /nfs/dbraw/zinc/07/94/39/1066079439.db2.gz VXUOQGXKZXIEIA-AABGKKOBSA-N 0 0 489.686 4.872 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001360923588 1066079487 /nfs/dbraw/zinc/07/94/87/1066079487.db2.gz XJQHAVCIOXJZJJ-SJLPKXTDSA-N 0 0 494.434 4.699 20 0 JJADRN O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001441893885 1066079812 /nfs/dbraw/zinc/07/98/12/1066079812.db2.gz QSDYGIFXJFALMO-NWDGAFQWSA-N 0 0 455.329 4.712 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360923953 1066079970 /nfs/dbraw/zinc/07/99/70/1066079970.db2.gz GOYWLMVVUUYBRV-NRFANRHFSA-N 0 0 471.593 4.548 20 0 JJADRN CC[C@@]1(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441896335 1066080008 /nfs/dbraw/zinc/08/00/08/1066080008.db2.gz VWNITIUQFXDQJD-AFMDSPMNSA-N 0 0 453.583 4.875 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360923955 1066079998 /nfs/dbraw/zinc/07/99/98/1066079998.db2.gz GPOVTMSNWFNLKI-UHFFFAOYSA-N 0 0 472.412 4.868 20 0 JJADRN Cc1ccsc1CCn1c(CC2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360924192 1066080276 /nfs/dbraw/zinc/08/02/76/1066080276.db2.gz KRWQDGFWFGPRHD-IEBWSBKVSA-N 0 0 459.660 4.583 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1nc(Cl)sc1Cl ZINC001441914035 1066080479 /nfs/dbraw/zinc/08/04/79/1066080479.db2.gz MHNVJGPBNZNMCU-UHFFFAOYSA-N 0 0 450.185 4.691 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360924506 1066080677 /nfs/dbraw/zinc/08/06/77/1066080677.db2.gz QRKRVTLDQDTSDA-KRWDZBQOSA-N 0 0 481.563 4.693 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001360924799 1066080755 /nfs/dbraw/zinc/08/07/55/1066080755.db2.gz NWMBBSBLJVGCOP-RUZDIDTESA-N 0 0 450.623 4.663 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001360924883 1066080972 /nfs/dbraw/zinc/08/09/72/1066080972.db2.gz ZESOEKMJWMCSED-UHFFFAOYSA-N 0 0 485.629 4.535 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(F)cc2I)cc1 ZINC001360925372 1066081064 /nfs/dbraw/zinc/08/10/64/1066081064.db2.gz BOQGUYTUBIJNTF-KXBFYZLASA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ncsc1CCn1c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nnc1C(C)(C)C ZINC001360925792 1066081938 /nfs/dbraw/zinc/08/19/38/1066081938.db2.gz BKBHKJCAENLXNE-UHFFFAOYSA-N 0 0 455.472 4.904 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360925791 1066082014 /nfs/dbraw/zinc/08/20/14/1066082014.db2.gz BJHSUMUEDIQXAZ-MRXNPFEDSA-N 0 0 462.019 4.522 20 0 JJADRN C[C@H](CC(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1ccc(F)c(Br)c1 ZINC001441950141 1066082121 /nfs/dbraw/zinc/08/21/21/1066082121.db2.gz NSXVXVHXJIEYSV-CQSZACIVSA-N 0 0 453.377 4.518 20 0 JJADRN Cc1cc(C)cc(Oc2ccc(NC(=O)[C@]34COC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)c1 ZINC001441949886 1066082130 /nfs/dbraw/zinc/08/21/30/1066082130.db2.gz KWEFXHBKCPRJNX-NIYFSFCBSA-N 0 0 452.551 4.918 20 0 JJADRN COc1cccc(Oc2ccc(NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1 ZINC001441950652 1066082261 /nfs/dbraw/zinc/08/22/61/1066082261.db2.gz MFSXHMABCZRQBP-UHFFFAOYSA-N 0 0 456.539 4.842 20 0 JJADRN Cc1ncsc1CCn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)cc1Cl ZINC001360925955 1066082379 /nfs/dbraw/zinc/08/23/79/1066082379.db2.gz DPLNVYYEGGFXLX-UHFFFAOYSA-N 0 0 478.807 4.846 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1 ZINC001360926348 1066082668 /nfs/dbraw/zinc/08/26/68/1066082668.db2.gz MKZNKVSFRWALAH-HDICACEKSA-N 0 0 474.675 4.683 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001360926172 1066082807 /nfs/dbraw/zinc/08/28/07/1066082807.db2.gz HTKULPPJTRFRAM-SFHVURJKSA-N 0 0 460.648 4.594 20 0 JJADRN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC001441966037 1066083513 /nfs/dbraw/zinc/08/35/13/1066083513.db2.gz DPOGNBHCYZXUDI-RTBURBONSA-N 0 0 450.608 4.899 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001441979342 1066083876 /nfs/dbraw/zinc/08/38/76/1066083876.db2.gz PGYKXFVJAXNCLU-UHFFFAOYSA-N 0 0 450.152 4.647 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(F)(F)F ZINC001360927087 1066083958 /nfs/dbraw/zinc/08/39/58/1066083958.db2.gz MHGFDTOTLUTAGR-UHFFFAOYSA-N 0 0 469.895 4.742 20 0 JJADRN CS(=O)(=O)c1ccccc1CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001360928694 1066084162 /nfs/dbraw/zinc/08/41/62/1066084162.db2.gz MOSAAOKQXXWCNF-UHFFFAOYSA-N 0 0 453.526 4.670 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccnc(Cl)c1Br ZINC001441990099 1066084449 /nfs/dbraw/zinc/08/44/49/1066084449.db2.gz VNXZCRDBEJEMHI-UHFFFAOYSA-N 0 0 451.727 4.732 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1csc(C(C)C)n1 ZINC001360929312 1066084883 /nfs/dbraw/zinc/08/48/83/1066084883.db2.gz BJNHRUWMTRURCI-DEOSSOPVSA-N 0 0 473.643 4.679 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1OCC[C@H]1C ZINC001360929570 1066085232 /nfs/dbraw/zinc/08/52/32/1066085232.db2.gz JPSGHDCIPXDFTE-SIXWZSSISA-N 0 0 462.019 4.898 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001442016119 1066085395 /nfs/dbraw/zinc/08/53/95/1066085395.db2.gz GIOMYVYKHSNPKU-NQIIRXRSSA-N 0 0 458.628 4.655 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001442016120 1066085446 /nfs/dbraw/zinc/08/54/46/1066085446.db2.gz GIOMYVYKHSNPKU-RXVVDRJESA-N 0 0 458.628 4.655 20 0 JJADRN CC(C)c1ccc(SCC(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC001442021812 1066085670 /nfs/dbraw/zinc/08/56/70/1066085670.db2.gz FUVLPRLILQKEQG-IBGZPJMESA-N 0 0 450.608 4.858 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001442022316 1066085734 /nfs/dbraw/zinc/08/57/34/1066085734.db2.gz QWWJQPUWZHJLIA-LBPRGKRZSA-N 0 0 455.365 4.540 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(F)cn1 ZINC001360930295 1066086708 /nfs/dbraw/zinc/08/67/08/1066086708.db2.gz SLQIBFQJCKCADH-UHFFFAOYSA-N 0 0 456.319 4.828 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1nccs1 ZINC001360930469 1066086949 /nfs/dbraw/zinc/08/69/49/1066086949.db2.gz UWBJJRCLMSKJDT-CYBMUJFWSA-N 0 0 475.416 4.844 20 0 JJADRN CCCN(C(=O)c1ccnc(NC(=O)C2CC2)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930395 1066086973 /nfs/dbraw/zinc/08/69/73/1066086973.db2.gz FBIGDPQJQWWERB-HSZRJFAPSA-N 0 0 450.489 4.745 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC001360930443 1066086983 /nfs/dbraw/zinc/08/69/83/1066086983.db2.gz FMBFAHLFPBWEQY-JKSUJKDBSA-N 0 0 454.683 4.898 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)OCCCc1cccc2ccccc21 ZINC001360930957 1066087642 /nfs/dbraw/zinc/08/76/42/1066087642.db2.gz KGZXKVVUHFVGJV-QFIPXVFZSA-N 0 0 450.922 4.874 20 0 JJADRN CCCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930916 1066087735 /nfs/dbraw/zinc/08/77/35/1066087735.db2.gz JZGTUPCYODJAMP-AUSIDOKSSA-N 0 0 457.565 4.973 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH]nc1-c1ccccc1Cl ZINC001442056546 1066088184 /nfs/dbraw/zinc/08/81/84/1066088184.db2.gz VYSVXGUPCYNBNJ-CQSZACIVSA-N 0 0 459.775 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC001442060896 1066088305 /nfs/dbraw/zinc/08/83/05/1066088305.db2.gz PYNYZOJRWYSHCG-UHFFFAOYSA-N 0 0 453.568 4.831 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001360931540 1066088482 /nfs/dbraw/zinc/08/84/82/1066088482.db2.gz RJNZCRJBFYRKLL-SVMVAKDDSA-N 0 0 453.421 4.998 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C)CCOCC1 ZINC001360931491 1066088513 /nfs/dbraw/zinc/08/85/13/1066088513.db2.gz VXAWYVZIORHQMC-KRWDZBQOSA-N 0 0 459.591 4.775 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@H](F)C1 ZINC001360931971 1066088523 /nfs/dbraw/zinc/08/85/23/1066088523.db2.gz ANNZGWPIZLIYMD-JSGCOSHPSA-N 0 0 453.385 4.575 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nccs1 ZINC001360932018 1066089031 /nfs/dbraw/zinc/08/90/31/1066089031.db2.gz CHLCKJWYMAKIHA-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1ccccn1 ZINC001360932275 1066089788 /nfs/dbraw/zinc/08/97/88/1066089788.db2.gz KBFKXLVAFWWURK-UHFFFAOYSA-N 0 0 454.003 4.897 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)C(C)(C)C ZINC001360932409 1066090343 /nfs/dbraw/zinc/09/03/43/1066090343.db2.gz MQNPOJNFADJTDK-INIZCTEOSA-N 0 0 490.695 4.883 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)OC(C)(C)C ZINC001360932925 1066091235 /nfs/dbraw/zinc/09/12/35/1066091235.db2.gz UZEXLSNABGRSFJ-UHFFFAOYSA-N 0 0 468.583 4.617 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)c(F)c1 ZINC001360932935 1066091248 /nfs/dbraw/zinc/09/12/48/1066091248.db2.gz VJQBMVFZNGRHCA-UHFFFAOYSA-N 0 0 493.381 4.958 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Br)[nH]c1=O ZINC001442080591 1066091330 /nfs/dbraw/zinc/09/13/30/1066091330.db2.gz NQWLJJJQXYJCBG-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN CCCCOc1ccc(NC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001442081654 1066091345 /nfs/dbraw/zinc/09/13/45/1066091345.db2.gz UVXKMSCQACFPTJ-UHFFFAOYSA-N 0 0 457.575 4.590 20 0 JJADRN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC001360933622 1066091433 /nfs/dbraw/zinc/09/14/33/1066091433.db2.gz KKMQHPSBIBOWOY-PGRDOPGGSA-N 0 0 454.567 4.762 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC001360933704 1066091476 /nfs/dbraw/zinc/09/14/76/1066091476.db2.gz SBKHPUPGQJVXHJ-INIZCTEOSA-N 0 0 456.999 4.843 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCC1)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001442082495 1066091797 /nfs/dbraw/zinc/09/17/97/1066091797.db2.gz KJTWZPVLAISZKW-UHFFFAOYSA-N 0 0 453.262 4.591 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C2CCCCC2)cnn1C ZINC001360934498 1066092001 /nfs/dbraw/zinc/09/20/01/1066092001.db2.gz AQCSKZUSFKQEMR-UHFFFAOYSA-N 0 0 491.684 4.712 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)c1ccco1 ZINC001360934517 1066092091 /nfs/dbraw/zinc/09/20/91/1066092091.db2.gz BRWXJJGETVDZLP-QFIPXVFZSA-N 0 0 489.345 4.885 20 0 JJADRN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001442092036 1066092198 /nfs/dbraw/zinc/09/21/98/1066092198.db2.gz JFUDCZKQQAMMEW-GGVNPZCGSA-N 0 0 457.574 4.734 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)NCC1(c2ccc(Br)cc2)CCC1 ZINC001442085909 1066092289 /nfs/dbraw/zinc/09/22/89/1066092289.db2.gz QQUSOHLOAXYBQA-UHFFFAOYSA-N 0 0 451.311 4.684 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)CCCO2)cnn1C ZINC001360934585 1066092550 /nfs/dbraw/zinc/09/25/50/1066092550.db2.gz FGKVXNTWQWPXJG-OAQYLSRUSA-N 0 0 493.837 4.608 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cc(F)c(F)c1F ZINC001360934666 1066092850 /nfs/dbraw/zinc/09/28/50/1066092850.db2.gz HKVCPXMKFLPATB-UHFFFAOYSA-N 0 0 482.894 5.000 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@@H](C)C2)cnn1C ZINC001360934685 1066092887 /nfs/dbraw/zinc/09/28/87/1066092887.db2.gz IAKPJIQHSKMOKL-ICSRJNTNSA-N 0 0 450.631 4.736 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001360934842 1066093624 /nfs/dbraw/zinc/09/36/24/1066093624.db2.gz NVXHBWCTBMWKJA-YLJYHZDGSA-N 0 0 461.035 4.846 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)C[C@@H](c2ccccc2)O1 ZINC001442105377 1066093720 /nfs/dbraw/zinc/09/37/20/1066093720.db2.gz OGQJLAUMOUNZGE-BDAOOPMTSA-N 0 0 452.982 4.723 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCc2cccs2)cnn1C ZINC001360934959 1066093906 /nfs/dbraw/zinc/09/39/06/1066093906.db2.gz RTXMCMYZRLVXCL-UHFFFAOYSA-N 0 0 489.418 4.829 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@H]2C(C)C)cnn1C ZINC001360934916 1066093983 /nfs/dbraw/zinc/09/39/83/1066093983.db2.gz QPFHCFISRXNSDX-KXBFYZLASA-N 0 0 493.475 4.509 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)cnn1C ZINC001360935020 1066094381 /nfs/dbraw/zinc/09/43/81/1066094381.db2.gz UUVVXQMNCWBFJF-UHFFFAOYSA-N 0 0 460.573 4.593 20 0 JJADRN CC(C)[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001442106983 1066094304 /nfs/dbraw/zinc/09/43/04/1066094304.db2.gz OXAANDZPQLDGDB-DFIYOIEZSA-N 0 0 458.622 4.521 20 0 JJADRN C[C@H]1CN(Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110279 1066094623 /nfs/dbraw/zinc/09/46/23/1066094623.db2.gz CTYUFNIJIARLAN-FQEVSTJZSA-N 0 0 453.652 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCCOc1cccc(Cl)c1Cl)c1ccccc1 ZINC001442110419 1066094714 /nfs/dbraw/zinc/09/47/14/1066094714.db2.gz DQWZDGPBPVFMAP-JOCHJYFZSA-N 0 0 453.366 4.929 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360935300 1066094664 /nfs/dbraw/zinc/09/46/64/1066094664.db2.gz FJYTVCUQCWYWBQ-HNNXBMFYSA-N 0 0 474.606 4.741 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360935279 1066094762 /nfs/dbraw/zinc/09/47/62/1066094762.db2.gz ZWVKTJSTVLQWBU-UHFFFAOYSA-N 0 0 473.980 4.924 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC001442112403 1066095726 /nfs/dbraw/zinc/09/57/26/1066095726.db2.gz CKTXOSVYEGAONM-BMUCWXDRSA-N 0 0 455.530 4.688 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC001442112936 1066095751 /nfs/dbraw/zinc/09/57/51/1066095751.db2.gz HMDMFWTWVMKQQZ-SXAWMYDMSA-N 0 0 455.530 4.833 20 0 JJADRN Cc1ccc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c(OCC(=O)N(C)C)c1 ZINC001442113154 1066096142 /nfs/dbraw/zinc/09/61/42/1066096142.db2.gz PBDLJQPSCFKGCA-UHFFFAOYSA-N 0 0 451.350 4.761 20 0 JJADRN O=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccc(I)c(O)c1 ZINC001442118052 1066096523 /nfs/dbraw/zinc/09/65/23/1066096523.db2.gz MNBKVRGLZRCQQN-UHFFFAOYSA-N 0 0 453.295 4.768 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)c2c1 ZINC001442118264 1066096578 /nfs/dbraw/zinc/09/65/78/1066096578.db2.gz NGJBMQPKNJHXQR-KRWDZBQOSA-N 0 0 453.583 4.840 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001442124284 1066096756 /nfs/dbraw/zinc/09/67/56/1066096756.db2.gz VEUIWBYBMJSMEZ-CQSZACIVSA-N 0 0 457.434 4.890 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)C1 ZINC001360939345 1066097136 /nfs/dbraw/zinc/09/71/36/1066097136.db2.gz MUPCVHHZOWISOQ-APWZRJJASA-N 0 0 450.558 4.911 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)cnn1C ZINC001360941113 1066097851 /nfs/dbraw/zinc/09/78/51/1066097851.db2.gz MUEFVTLSURHXGJ-HMXCVIKNSA-N 0 0 485.677 4.507 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1 ZINC001360940599 1066097891 /nfs/dbraw/zinc/09/78/91/1066097891.db2.gz HTRIWJQCZONADP-ROUUACIJSA-N 0 0 492.715 4.547 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)c1C ZINC001442158452 1066098376 /nfs/dbraw/zinc/09/83/76/1066098376.db2.gz OZZMPFIDRIHWQK-KRWDZBQOSA-N 0 0 452.599 4.569 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001360942509 1066098701 /nfs/dbraw/zinc/09/87/01/1066098701.db2.gz RQSWAIBZVPAISO-CYBMUJFWSA-N 0 0 451.748 4.663 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)[nH]c21 ZINC001442174095 1066098741 /nfs/dbraw/zinc/09/87/41/1066098741.db2.gz LAONWPLBXZNNMN-AWEZNQCLSA-N 0 0 450.377 4.616 20 0 JJADRN CC(C)OCc1cccc(NC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC001442174144 1066098757 /nfs/dbraw/zinc/09/87/57/1066098757.db2.gz LHCSIVFLRSEKMD-UHFFFAOYSA-N 0 0 451.592 4.753 20 0 JJADRN CCCN(C(=O)c1cccc(OCC(=O)OC)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943563 1066098935 /nfs/dbraw/zinc/09/89/35/1066098935.db2.gz UFQTZRWFPFLGQX-VWLOTQADSA-N 0 0 450.510 4.723 20 0 JJADRN CN1C(=O)COc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc21 ZINC001442178999 1066099072 /nfs/dbraw/zinc/09/90/72/1066099072.db2.gz BRBFOZJVIFONGX-UHFFFAOYSA-N 0 0 450.882 4.592 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442179116 1066099254 /nfs/dbraw/zinc/09/92/54/1066099254.db2.gz CQEXRWSAIYETCE-LRCYMOHKSA-N 0 0 454.558 4.891 20 0 JJADRN CCc1nc(CN2CCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)cs1 ZINC001442184584 1066099928 /nfs/dbraw/zinc/09/99/28/1066099928.db2.gz JJKDIGZHMRSXIV-HSZRJFAPSA-N 0 0 456.011 4.823 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)cnn1C ZINC001360945185 1066100144 /nfs/dbraw/zinc/10/01/44/1066100144.db2.gz XNEGDYHJHXWPGT-QGZVFWFLSA-N 0 0 452.603 4.627 20 0 JJADRN CN1CCCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c2ccccc21 ZINC001360946153 1066100632 /nfs/dbraw/zinc/10/06/32/1066100632.db2.gz MCSXKEXCCNKJIK-UHFFFAOYSA-N 0 0 452.292 4.696 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC001442192988 1066101305 /nfs/dbraw/zinc/10/13/05/1066101305.db2.gz PUKGUXDNFSNDGD-UHFFFAOYSA-N 0 0 456.542 4.885 20 0 JJADRN COCCOc1ccc(NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001442195104 1066101465 /nfs/dbraw/zinc/10/14/65/1066101465.db2.gz SFXSYYRWURUEEH-UHFFFAOYSA-N 0 0 452.567 4.997 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2Cc2cccc(COC(C)(C)C)c2)cnn1C ZINC001360946848 1066101980 /nfs/dbraw/zinc/10/19/80/1066101980.db2.gz QVIOYTSTRWYLEK-UHFFFAOYSA-N 0 0 478.666 4.972 20 0 JJADRN CC(C)(C(=O)Nc1ncn(Cc2ccccc2)n1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001442209366 1066102451 /nfs/dbraw/zinc/10/24/51/1066102451.db2.gz GBZGKBAEUXVEOI-DEOSSOPVSA-N 0 0 456.546 4.604 20 0 JJADRN CCc1c(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001442211128 1066102461 /nfs/dbraw/zinc/10/24/61/1066102461.db2.gz PCBYJPGHJDHGHP-UHFFFAOYSA-N 0 0 451.958 4.514 20 0 JJADRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)Cc1csc(N2CCOCC2)n1 ZINC001442218071 1066103133 /nfs/dbraw/zinc/10/31/33/1066103133.db2.gz DJJYSFQDYYDZBI-UHFFFAOYSA-N 0 0 459.612 4.827 20 0 JJADRN Cn1c(C(=O)Nc2cc(F)c(F)cc2I)ccc1-c1ccc(F)cc1 ZINC001360948728 1066103632 /nfs/dbraw/zinc/10/36/32/1066103632.db2.gz GZIHNTMHHFGKIJ-UHFFFAOYSA-N 0 0 456.205 4.966 20 0 JJADRN Cc1sc(CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)nc1-c1ccc(Cl)cc1 ZINC001442225208 1066103739 /nfs/dbraw/zinc/10/37/39/1066103739.db2.gz WRFXEZCHRIHYOV-QHCPKHFHSA-N 0 0 456.011 4.586 20 0 JJADRN CCC[C@H]1CCc2nc(NC(=O)COc3cccc(I)c3)sc2C1 ZINC001360948354 1066103710 /nfs/dbraw/zinc/10/37/10/1066103710.db2.gz TUPSIOKFGSONNJ-LBPRGKRZSA-N 0 0 456.349 4.670 20 0 JJADRN COc1ccccc1-c1nnc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)o1 ZINC001442223827 1066103818 /nfs/dbraw/zinc/10/38/18/1066103818.db2.gz SEPCKDWMFGPGHT-UHFFFAOYSA-N 0 0 454.939 4.689 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)c1 ZINC001442230256 1066105181 /nfs/dbraw/zinc/10/51/81/1066105181.db2.gz DRPNETFYUCMXCS-OAQYLSRUSA-N 0 0 450.539 4.907 20 0 JJADRN COCCCCN(Cc1ccccc1)C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001442231125 1066105191 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4.585 20 0 JJADRN COc1cc(Br)c(NC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1OC ZINC001442246257 1066107347 /nfs/dbraw/zinc/10/73/47/1066107347.db2.gz CSXQOHJFKAXXLF-HNNXBMFYSA-N 0 0 457.365 4.585 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2OCCC2(C)C)cnn1C ZINC001360949947 1066107520 /nfs/dbraw/zinc/10/75/20/1066107520.db2.gz ZSZFHVQEHORYEO-QHCPKHFHSA-N 0 0 480.657 4.648 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)cnn1C ZINC001360949946 1066107528 /nfs/dbraw/zinc/10/75/28/1066107528.db2.gz ZSZFHVQEHORYEO-HSZRJFAPSA-N 0 0 480.657 4.648 20 0 JJADRN CCCCCC[C@@H](C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1C(=O)OC ZINC001360950668 1066108087 /nfs/dbraw/zinc/10/80/87/1066108087.db2.gz JTBSRUMBJXQXMY-SJORKVTESA-N 0 0 456.505 4.576 20 0 JJADRN CCCCCC[C@@H](C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1C(=O)OC ZINC001360950666 1066108096 /nfs/dbraw/zinc/10/80/96/1066108096.db2.gz JTBSRUMBJXQXMY-IAGOWNOFSA-N 0 0 456.505 4.576 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC001442253103 1066108386 /nfs/dbraw/zinc/10/83/86/1066108386.db2.gz ULELVDPPVDKPGS-UHFFFAOYSA-N 0 0 458.986 4.596 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)c2)n1 ZINC001442256070 1066109019 /nfs/dbraw/zinc/10/90/19/1066109019.db2.gz CGZMTYMHTAMNBX-UHFFFAOYSA-N 0 0 459.550 4.857 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1c(Br)nc2n1CCC2 ZINC001442262057 1066109609 /nfs/dbraw/zinc/10/96/09/1066109609.db2.gz MYCVKBXHTAYBRA-UHFFFAOYSA-N 0 0 459.731 4.750 20 0 JJADRN NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(OC2CCCC2)c1 ZINC001442256258 1066109627 /nfs/dbraw/zinc/10/96/27/1066109627.db2.gz ZDSNXKYBRLOGJH-UHFFFAOYSA-N 0 0 458.558 4.715 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360953064 1066109752 /nfs/dbraw/zinc/10/97/52/1066109752.db2.gz PFELJJIQAQZBHJ-LJQANCHMSA-N 0 0 451.615 4.883 20 0 JJADRN O=C(COc1cccc(I)c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC001442266233 1066110846 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484.519 4.869 20 0 JJADRN Cc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1NS(C)(=O)=O ZINC001442293008 1066112538 /nfs/dbraw/zinc/11/25/38/1066112538.db2.gz LIEZGGIIXMDTTR-UHFFFAOYSA-N 0 0 453.948 4.619 20 0 JJADRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001442294178 1066112553 /nfs/dbraw/zinc/11/25/53/1066112553.db2.gz MKUXJQZFMCJJLG-ZBFHGGJFSA-N 0 0 457.403 4.513 20 0 JJADRN CC(C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1 ZINC001360956430 1066112577 /nfs/dbraw/zinc/11/25/77/1066112577.db2.gz LKJNDZKYBOBIFX-UHFFFAOYSA-N 0 0 455.407 4.833 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360956785 1066112782 /nfs/dbraw/zinc/11/27/82/1066112782.db2.gz QGWWLSJEUDMLCR-QGZVFWFLSA-N 0 0 471.989 4.503 20 0 JJADRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1csc(-c2ccc(F)cc2)n1 ZINC001442298776 1066112911 /nfs/dbraw/zinc/11/29/11/1066112911.db2.gz WCDWWUGKNVJXNB-UHFFFAOYSA-N 0 0 458.990 4.545 20 0 JJADRN Cc1ccc(C2(C(=O)Oc3ccc(OCc4nc(C(C)(C)C)no4)cc3)CCOCC2)cc1 ZINC001360956490 1066112877 /nfs/dbraw/zinc/11/28/77/1066112877.db2.gz NNMFDZUEBYDEBG-UHFFFAOYSA-N 0 0 450.535 4.908 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)cnn1CC(C)C ZINC001360956716 1066112925 /nfs/dbraw/zinc/11/29/25/1066112925.db2.gz PBOLNWGGPKSAMG-GHTZIAJQSA-N 0 0 472.634 4.708 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)cnn1CC(C)C ZINC001360956718 1066112932 /nfs/dbraw/zinc/11/29/32/1066112932.db2.gz PBOLNWGGPKSAMG-RXVVDRJESA-N 0 0 472.634 4.708 20 0 JJADRN Cc1ccsc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001360957010 1066113485 /nfs/dbraw/zinc/11/34/85/1066113485.db2.gz UQWLBGWJDNKNRI-QZTJIDSGSA-N 0 0 488.057 4.773 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001360957038 1066113587 /nfs/dbraw/zinc/11/35/87/1066113587.db2.gz UYJKVNLJIRTZLP-QHCPKHFHSA-N 0 0 495.668 4.779 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)C(=O)OC)cc1 ZINC001442299733 1066113611 /nfs/dbraw/zinc/11/36/11/1066113611.db2.gz KUCYRCDZKQZMML-VJOZSWGJSA-N 0 0 453.432 4.563 20 0 JJADRN Cc1c(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C(F)(F)F)CC2)cnn1C ZINC001360957763 1066113946 /nfs/dbraw/zinc/11/39/46/1066113946.db2.gz AMNMMFMOZVHJBW-UHFFFAOYSA-N 0 0 483.336 4.577 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCS[C@H](C)C2)cnn1CC(C)C ZINC001360957219 1066114041 /nfs/dbraw/zinc/11/40/41/1066114041.db2.gz WUVLMMSLHYKFOD-IEBWSBKVSA-N 0 0 472.634 4.708 20 0 JJADRN Cc1ccoc1Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCCS(C)(=O)=O ZINC001360957855 1066114508 /nfs/dbraw/zinc/11/45/08/1066114508.db2.gz CFHGXOXFIQNUHY-UHFFFAOYSA-N 0 0 479.027 4.634 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3cccc(O)c3)cc2Cl)n1 ZINC001442304956 1066114834 /nfs/dbraw/zinc/11/48/34/1066114834.db2.gz WIXZZWYFHLATLA-INIZCTEOSA-N 0 0 454.958 4.975 20 0 JJADRN Cc1ccsc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC(F)C1 ZINC001360958495 1066115058 /nfs/dbraw/zinc/11/50/58/1066115058.db2.gz OFDKWPFKYGBEIA-UHFFFAOYSA-N 0 0 452.397 4.649 20 0 JJADRN Cc1nnsc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C(C)C ZINC001360958878 1066115586 /nfs/dbraw/zinc/11/55/86/1066115586.db2.gz VIUDEBSOVXGSIW-MRXNPFEDSA-N 0 0 465.396 4.680 20 0 JJADRN NC(=O)[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)Cc1ccc(F)cc1 ZINC001442310011 1066115801 /nfs/dbraw/zinc/11/58/01/1066115801.db2.gz SDQZVGLDUCUPCO-KRWDZBQOSA-N 0 0 450.476 4.507 20 0 JJADRN NC(=O)[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)Cc1ccc(F)cc1 ZINC001442310016 1066115902 /nfs/dbraw/zinc/11/59/02/1066115902.db2.gz SDQZVGLDUCUPCO-QGZVFWFLSA-N 0 0 450.476 4.507 20 0 JJADRN Cc1c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2nccs2)cnn1CC(C)C ZINC001360959094 1066116238 /nfs/dbraw/zinc/11/62/38/1066116238.db2.gz ZNYWHVLXYXOHDW-UHFFFAOYSA-N 0 0 487.580 4.849 20 0 JJADRN CC(C)Cn1ccc2cc(NC(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)ccc21 ZINC001442327727 1066116433 /nfs/dbraw/zinc/11/64/33/1066116433.db2.gz GOMKGKIQTUDQMQ-SFHVURJKSA-N 0 0 451.571 4.997 20 0 JJADRN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@@H](C)O1 ZINC001442329934 1066116475 /nfs/dbraw/zinc/11/64/75/1066116475.db2.gz TZZJTFRJKDBLPZ-KFWWJZLASA-N 0 0 454.423 4.831 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccsc1)Oc1cccc(F)c1 ZINC001545948255 1066116493 /nfs/dbraw/zinc/11/64/93/1066116493.db2.gz NFLFWJRDVZDWJJ-FPOVZHCZSA-N 0 0 471.602 4.816 20 0 JJADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442317860 1066116531 /nfs/dbraw/zinc/11/65/31/1066116531.db2.gz PQYDHELKPNXCJV-GJZGRUSLSA-N 0 0 451.430 4.750 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccsc1)Oc1cccc(F)c1 ZINC001545948256 1066116536 /nfs/dbraw/zinc/11/65/36/1066116536.db2.gz NFLFWJRDVZDWJJ-PZJWPPBQSA-N 0 0 471.602 4.816 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)c2ccco2)cnn1C ZINC001360959489 1066116758 /nfs/dbraw/zinc/11/67/58/1066116758.db2.gz DLDAQDZEZQGQNA-CYBMUJFWSA-N 0 0 461.389 4.650 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1C ZINC001442341553 1066118132 /nfs/dbraw/zinc/11/81/32/1066118132.db2.gz YFTYRQXKYNFINX-UHFFFAOYSA-N 0 0 456.373 4.964 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001360960000 1066118261 /nfs/dbraw/zinc/11/82/61/1066118261.db2.gz VWADIFZRFYQQOK-UHFFFAOYSA-N 0 0 479.669 4.987 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001360960280 1066118651 /nfs/dbraw/zinc/11/86/51/1066118651.db2.gz HJMRIFBELPYJIR-CQSZACIVSA-N 0 0 479.423 4.927 20 0 JJADRN CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)cc2C1 ZINC001442348386 1066118685 /nfs/dbraw/zinc/11/86/85/1066118685.db2.gz GHVFAFAOUBQOJN-SFTDATJTSA-N 0 0 454.636 4.738 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](CO)c3ccc(Cl)cc3)c(C(F)(F)F)c2)n1 ZINC001442350094 1066118693 /nfs/dbraw/zinc/11/86/93/1066118693.db2.gz CNLXZSPFIHBUKB-LJQANCHMSA-N 0 0 451.876 4.554 20 0 JJADRN Cc1c(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)cnn1C ZINC001360960426 1066119150 /nfs/dbraw/zinc/11/91/50/1066119150.db2.gz MAQZJUHNACOWAK-VQTJNVASSA-N 0 0 450.631 4.943 20 0 JJADRN C[C@H](c1ccc2ccccc2c1)N(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CC1 ZINC001442353378 1066119238 /nfs/dbraw/zinc/11/92/38/1066119238.db2.gz ONXYXUBUPQPXSG-MRXNPFEDSA-N 0 0 458.530 4.539 20 0 JJADRN CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1)OC ZINC001545948471 1066119249 /nfs/dbraw/zinc/11/92/49/1066119249.db2.gz RRGQUHMCKZOHMM-UXHICEINSA-N 0 0 474.030 4.690 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360960717 1066120082 /nfs/dbraw/zinc/12/00/82/1066120082.db2.gz WYCWIZMUQBTION-KRWDZBQOSA-N 0 0 487.073 4.790 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360960718 1066120137 /nfs/dbraw/zinc/12/01/37/1066120137.db2.gz WYCWIZMUQBTION-QGZVFWFLSA-N 0 0 487.073 4.790 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)Cc1ccccc1 ZINC001442363956 1066120189 /nfs/dbraw/zinc/12/01/89/1066120189.db2.gz FQQDWNGCXMOQHG-HXUWFJFHSA-N 0 0 452.576 4.749 20 0 JJADRN C[C@H](CC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)c1ccccc1C(F)(F)F ZINC001442361107 1066120298 /nfs/dbraw/zinc/12/02/98/1066120298.db2.gz RPXSDWBKZHWJQF-MRXNPFEDSA-N 0 0 452.904 4.766 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(Cl)c1 ZINC001442375944 1066121316 /nfs/dbraw/zinc/12/13/16/1066121316.db2.gz NZUOISVVFPSTBW-INIZCTEOSA-N 0 0 457.958 4.632 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360962385 1066121697 /nfs/dbraw/zinc/12/16/97/1066121697.db2.gz CEFOOLQXJPTYEY-UHFFFAOYSA-N 0 0 453.612 4.857 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001442383457 1066122006 /nfs/dbraw/zinc/12/20/06/1066122006.db2.gz YLUDGELFCPBPNH-UHFFFAOYSA-N 0 0 454.741 4.596 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386063 1066122028 /nfs/dbraw/zinc/12/20/28/1066122028.db2.gz FRDMYOHIMIQGKH-RTWAWAEBSA-N 0 0 458.505 4.829 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360962690 1066122259 /nfs/dbraw/zinc/12/22/59/1066122259.db2.gz OGPSTBSMROLDBO-MRXNPFEDSA-N 0 0 457.962 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442387445 1066122520 /nfs/dbraw/zinc/12/25/20/1066122520.db2.gz PMOOFEYIUSWYFP-IBGZPJMESA-N 0 0 459.493 4.788 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001442390360 1066123064 /nfs/dbraw/zinc/12/30/64/1066123064.db2.gz CNJXYDYNUKGGBS-FPOVZHCZSA-N 0 0 453.311 4.605 20 0 JJADRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442393658 1066123090 /nfs/dbraw/zinc/12/30/90/1066123090.db2.gz HYKYKLPEFOJVBD-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccnc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360964307 1066123350 /nfs/dbraw/zinc/12/33/50/1066123350.db2.gz YTDLVAQLSWBHSE-UHFFFAOYSA-N 0 0 450.515 4.870 20 0 JJADRN C[C@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360964401 1066123387 /nfs/dbraw/zinc/12/33/87/1066123387.db2.gz PVYHONZGKIUACI-JTSKRJEESA-N 0 0 458.389 4.803 20 0 JJADRN CCC[C@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC001442397254 1066124163 /nfs/dbraw/zinc/12/41/63/1066124163.db2.gz QSDUDEYQUMITEJ-INIZCTEOSA-N 0 0 456.370 4.717 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C ZINC001360967031 1066124577 /nfs/dbraw/zinc/12/45/77/1066124577.db2.gz KAKZIXHSETZIFL-WOJBJXKFSA-N 0 0 457.619 4.967 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC001442400902 1066124637 /nfs/dbraw/zinc/12/46/37/1066124637.db2.gz CTLIIDQOHYUBGH-LJQANCHMSA-N 0 0 454.567 4.745 20 0 JJADRN O=C(NCCOc1ccccc1-c1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001442402093 1066125164 /nfs/dbraw/zinc/12/51/64/1066125164.db2.gz QXGZKCCXFNMBDP-QQTULTPQSA-N 0 0 452.510 4.913 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC001442404432 1066125248 /nfs/dbraw/zinc/12/52/48/1066125248.db2.gz FMQWISRQCFGZNA-UHFFFAOYSA-N 0 0 450.608 4.564 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001360969381 1066126042 /nfs/dbraw/zinc/12/60/42/1066126042.db2.gz QGSRELMGSQJJEU-VQTJNVASSA-N 0 0 457.412 4.899 20 0 JJADRN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001442413436 1066126180 /nfs/dbraw/zinc/12/61/80/1066126180.db2.gz NOCCCAIQMSJABN-IBGZPJMESA-N 0 0 457.640 4.827 20 0 JJADRN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1NCc1ccccc1 ZINC001442416315 1066126196 /nfs/dbraw/zinc/12/61/96/1066126196.db2.gz YSZAEQJNRGUTKG-UHFFFAOYSA-N 0 0 453.336 4.762 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 ZINC001360969634 1066126466 /nfs/dbraw/zinc/12/64/66/1066126466.db2.gz XQWYDPUELPJKNL-FKCDAAJZSA-N 0 0 452.595 4.591 20 0 JJADRN CS(=O)(=O)C1CCC(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001360969658 1066126484 /nfs/dbraw/zinc/12/64/84/1066126484.db2.gz YHWSYNGZBMGIRM-UHFFFAOYSA-N 0 0 455.498 4.717 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 ZINC001360969633 1066126533 /nfs/dbraw/zinc/12/65/33/1066126533.db2.gz XQWYDPUELPJKNL-DXBVXKBHSA-N 0 0 452.595 4.591 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 ZINC001360969636 1066126589 /nfs/dbraw/zinc/12/65/89/1066126589.db2.gz XQWYDPUELPJKNL-ONBPZOJHSA-N 0 0 452.595 4.591 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1OC ZINC001360970505 1066127003 /nfs/dbraw/zinc/12/70/03/1066127003.db2.gz MHWAKVYJCYINPY-UHFFFAOYSA-N 0 0 457.118 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC001442441233 1066127268 /nfs/dbraw/zinc/12/72/68/1066127268.db2.gz ZROUZXHPFAILCO-JOCHJYFZSA-N 0 0 450.514 4.570 20 0 JJADRN Cc1ccccc1CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC001442439923 1066127303 /nfs/dbraw/zinc/12/73/03/1066127303.db2.gz WQLQNEBUEJDWLD-UHFFFAOYSA-N 0 0 458.583 4.656 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001360971825 1066128127 /nfs/dbraw/zinc/12/81/27/1066128127.db2.gz XVECRKZOMULBJR-SFHVURJKSA-N 0 0 475.659 4.631 20 0 JJADRN Cc1c(Cn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@@H](C)c2nccs2)cnn1CC(C)C ZINC001360972491 1066128567 /nfs/dbraw/zinc/12/85/67/1066128567.db2.gz ANKKUVXVBLUZHU-GOSISDBHSA-N 0 0 481.645 4.914 20 0 JJADRN Cc1cc(O)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001545949401 1066130406 /nfs/dbraw/zinc/13/04/06/1066130406.db2.gz UKJZFAJTTZQBLN-UHFFFAOYSA-N 0 0 450.438 4.773 20 0 JJADRN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001442476214 1066130421 /nfs/dbraw/zinc/13/04/21/1066130421.db2.gz TZDROFXRZGEUPL-UHFFFAOYSA-N 0 0 456.731 4.990 20 0 JJADRN Cc1ccsc1Cn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360973595 1066130585 /nfs/dbraw/zinc/13/05/85/1066130585.db2.gz MEYVZCHZJCDBDF-FQEVSTJZSA-N 0 0 467.639 4.585 20 0 JJADRN Cc1c(Cn2c(CC3CC3)nnc2N(C)Cc2cc(Br)cs2)cnn1CC(C)C ZINC001360974017 1066130660 /nfs/dbraw/zinc/13/06/60/1066130660.db2.gz VTHXWYSAOLPMCH-UHFFFAOYSA-N 0 0 477.476 4.900 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)C2=O)cc1 ZINC001360975107 1066131107 /nfs/dbraw/zinc/13/11/07/1066131107.db2.gz NHWOCCBTIRSPPC-HXUWFJFHSA-N 0 0 457.958 4.921 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001442502377 1066131482 /nfs/dbraw/zinc/13/14/82/1066131482.db2.gz NQFFBWSXHXYFQM-HNNXBMFYSA-N 0 0 459.493 4.803 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001360975370 1066131753 /nfs/dbraw/zinc/13/17/53/1066131753.db2.gz TYMUXQXEXVFQPB-IBGZPJMESA-N 0 0 457.452 4.903 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)C2(c3cccc(Br)c3)CC2)c1 ZINC001360976400 1066132084 /nfs/dbraw/zinc/13/20/84/1066132084.db2.gz XPJGEWGCQQMPFQ-UHFFFAOYSA-N 0 0 453.336 4.993 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)Oc1ccccc1F ZINC001545949609 1066132592 /nfs/dbraw/zinc/13/25/92/1066132592.db2.gz BFZWUTQHYDYKHM-UXHICEINSA-N 0 0 473.637 4.777 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360976699 1066132720 /nfs/dbraw/zinc/13/27/20/1066132720.db2.gz PUFDQZHUADYUFI-LJQANCHMSA-N 0 0 491.455 4.899 20 0 JJADRN Cc1c(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cnn1CC(C)C ZINC001360976692 1066132757 /nfs/dbraw/zinc/13/27/57/1066132757.db2.gz PSNGBDPOIDFVSJ-NDEPHWFRSA-N 0 0 494.684 4.750 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)CC2=O)cc1 ZINC001442527195 1066133013 /nfs/dbraw/zinc/13/30/13/1066133013.db2.gz HJWSPRJTVFAOQB-NHCUHLMSSA-N 0 0 454.014 4.678 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCOC2)cnn1CC(C)C ZINC001360977193 1066134213 /nfs/dbraw/zinc/13/42/13/1066134213.db2.gz HQYIVNOIUXSAQD-FQEVSTJZSA-N 0 0 487.048 4.583 20 0 JJADRN Cc1c(Cn2c(COc3ccccc3F)nnc2N(C)[C@@H](C)c2ccco2)cnn1CC(C)C ZINC001360977462 1066134669 /nfs/dbraw/zinc/13/46/69/1066134669.db2.gz QZCHNKXDPLISLO-IBGZPJMESA-N 0 0 466.561 4.996 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001442540429 1066134771 /nfs/dbraw/zinc/13/47/71/1066134771.db2.gz VJPISOCYQWLTST-JKSUJKDBSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)cnn1CC(C)C ZINC001360977564 1066135146 /nfs/dbraw/zinc/13/51/46/1066135146.db2.gz UZNGNDHCJQETHO-OALUTQOASA-N 0 0 454.594 4.688 20 0 JJADRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(I)cc1F ZINC001442543579 1066135250 /nfs/dbraw/zinc/13/52/50/1066135250.db2.gz ZNPOMRXAIMNJKQ-HNAYVOBHSA-N 0 0 453.295 4.670 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001442544865 1066135301 /nfs/dbraw/zinc/13/53/01/1066135301.db2.gz JZZSDTIIWHGEMW-FGZHOGPDSA-N 0 0 450.583 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 ZINC001442548866 1066135847 /nfs/dbraw/zinc/13/58/47/1066135847.db2.gz QEADNYABSOYLTM-MSOLQXFVSA-N 0 0 455.368 4.982 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC001360978099 1066136078 /nfs/dbraw/zinc/13/60/78/1066136078.db2.gz LELMCYJHDKGBNT-YKSBVNFPSA-N 0 0 450.604 4.819 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@H]2COc3ccccc3O2)c2ccccc2Cl)c(OC)c1 ZINC001360978151 1066136084 /nfs/dbraw/zinc/13/60/84/1066136084.db2.gz MWYAQGPXCOHLSO-SSOJOUAXSA-N 0 0 453.922 4.793 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)o1 ZINC001360978588 1066136817 /nfs/dbraw/zinc/13/68/17/1066136817.db2.gz XUYUTIRFIDOFMM-YYVWFHOOSA-N 0 0 455.894 4.656 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001442552186 1066136886 /nfs/dbraw/zinc/13/68/86/1066136886.db2.gz XHUSXRAJPCXLHF-RTBURBONSA-N 0 0 451.995 4.916 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2ccc(Nc3ccccc3)nc2)=NN1c1ccccc1 ZINC001442551464 1066136917 /nfs/dbraw/zinc/13/69/17/1066136917.db2.gz ZLQTTYGNFGAGQY-JOCHJYFZSA-N 0 0 457.534 4.740 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001442552177 1066136924 /nfs/dbraw/zinc/13/69/24/1066136924.db2.gz XHUSXRAJPCXLHF-MOPGFXCFSA-N 0 0 451.995 4.916 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccn2)C1 ZINC001442552201 1066136956 /nfs/dbraw/zinc/13/69/56/1066136956.db2.gz XKIBQULTWBSHRE-HJNYFJLDSA-N 0 0 456.631 4.712 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442551222 1066136968 /nfs/dbraw/zinc/13/69/68/1066136968.db2.gz UZLSJPCASHNIJW-VXSCBNMQSA-N 0 0 458.599 4.588 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1(C)C ZINC001360978802 1066137106 /nfs/dbraw/zinc/13/71/06/1066137106.db2.gz DMCKVVSQBRJJHA-UXHICEINSA-N 0 0 459.384 4.977 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360978928 1066137656 /nfs/dbraw/zinc/13/76/56/1066137656.db2.gz GZPDIJOEMFSAFJ-LULLPPNCSA-N 0 0 459.660 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC001442560329 1066137865 /nfs/dbraw/zinc/13/78/65/1066137865.db2.gz JAJXPSCMHKHSBM-VOIUYBSRSA-N 0 0 458.942 4.954 20 0 JJADRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001360980222 1066138061 /nfs/dbraw/zinc/13/80/61/1066138061.db2.gz SRGHDHBWRAPTNE-UHFFFAOYSA-N 0 0 459.999 4.634 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC001442561243 1066138304 /nfs/dbraw/zinc/13/83/04/1066138304.db2.gz NYDJYFIJFYVSPD-FQEVSTJZSA-N 0 0 451.567 4.767 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1)NC(=O)OC(C)(C)C ZINC001545949945 1066138504 /nfs/dbraw/zinc/13/85/04/1066138504.db2.gz ICEGEDIYYXATHI-HXUWFJFHSA-N 0 0 485.677 4.622 20 0 JJADRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)C1 ZINC001442567727 1066139044 /nfs/dbraw/zinc/13/90/44/1066139044.db2.gz HZNSVDWVUFXAJR-WZONZLPQSA-N 0 0 456.608 4.723 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442571715 1066139474 /nfs/dbraw/zinc/13/94/74/1066139474.db2.gz MXQUMCJUEVUDKG-MRXNPFEDSA-N 0 0 454.995 4.977 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001360981554 1066140100 /nfs/dbraw/zinc/14/01/00/1066140100.db2.gz PRXUJUACDFTAEN-WIYYLYMNSA-N 0 0 451.567 4.568 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)C(C)C)cc1 ZINC001360981566 1066140145 /nfs/dbraw/zinc/14/01/45/1066140145.db2.gz QIFWKEQTFDIJEH-AVRDEDQJSA-N 0 0 453.583 4.974 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1 ZINC001360981665 1066140591 /nfs/dbraw/zinc/14/05/91/1066140591.db2.gz RJETXCLHIRPMOB-UHFFFAOYSA-N 0 0 481.847 4.988 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c1I ZINC001442576759 1066140836 /nfs/dbraw/zinc/14/08/36/1066140836.db2.gz YULAYTUNFLOBKN-MLGOLLRUSA-N 0 0 453.324 4.670 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)F)C2)cnn1CC(C)C ZINC001360982071 1066141256 /nfs/dbraw/zinc/14/12/56/1066141256.db2.gz ZUOMQXOYGCLQLW-CEWLAPEOSA-N 0 0 478.632 4.887 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360982218 1066141535 /nfs/dbraw/zinc/14/15/35/1066141535.db2.gz DSJFMFHWZYBRGS-UGKGYDQZSA-N 0 0 488.076 4.559 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001360982479 1066142138 /nfs/dbraw/zinc/14/21/38/1066142138.db2.gz MSSYMQGEVIZCIZ-UHFFFAOYSA-N 0 0 464.923 4.858 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001360982349 1066142192 /nfs/dbraw/zinc/14/21/92/1066142192.db2.gz JKDPHEAKJFTYTE-UHFFFAOYSA-N 0 0 468.049 4.727 20 0 JJADRN CSCC[C@@H](CC(=O)NCc1c(C)cc(Br)cc1C)NC(=O)OC(C)(C)C ZINC001442594946 1066142304 /nfs/dbraw/zinc/14/23/04/1066142304.db2.gz MGEBFVBVCGQHDU-INIZCTEOSA-N 0 0 459.450 4.719 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545950217 1066142319 /nfs/dbraw/zinc/14/23/19/1066142319.db2.gz MUUKYGYMKQRDJO-UYAOXDASSA-N 0 0 475.609 4.749 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360982594 1066142697 /nfs/dbraw/zinc/14/26/97/1066142697.db2.gz PKNTXQLAOUEOBQ-UHFFFAOYSA-N 0 0 460.066 4.568 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(C)C)nnc1N1CCC(OCC2CC2)CC1 ZINC001360982726 1066142737 /nfs/dbraw/zinc/14/27/37/1066142737.db2.gz TYSPDGVMTBRYIA-UHFFFAOYSA-N 0 0 460.022 4.788 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC001442599299 1066142782 /nfs/dbraw/zinc/14/27/82/1066142782.db2.gz VMCPNIIMAOYNJY-HXUWFJFHSA-N 0 0 459.949 4.928 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)nnn1-c1cccc(C(C)C)c1 ZINC001360983249 1066143129 /nfs/dbraw/zinc/14/31/29/1066143129.db2.gz JQSAUJYOYLECFL-GOSISDBHSA-N 0 0 450.583 4.721 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545950294 1066143227 /nfs/dbraw/zinc/14/32/27/1066143227.db2.gz NSFLWQOYTYQECK-PZJWPPBQSA-N 0 0 459.610 4.913 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2cc(Br)cc(Br)c2)cc1OC ZINC001360983269 1066143196 /nfs/dbraw/zinc/14/31/96/1066143196.db2.gz KAZDPUKSVAVJSJ-NSHDSACASA-N 0 0 457.162 4.590 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1C(F)(F)F ZINC001360983664 1066143808 /nfs/dbraw/zinc/14/38/08/1066143808.db2.gz UUMGGLRURYGEHI-OLZOCXBDSA-N 0 0 455.274 4.698 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1C(F)(F)F ZINC001360983665 1066143882 /nfs/dbraw/zinc/14/38/82/1066143882.db2.gz UUMGGLRURYGEHI-QWHCGFSZSA-N 0 0 455.274 4.698 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCCOc1ccc(Br)cc1 ZINC001442605620 1066143953 /nfs/dbraw/zinc/14/39/53/1066143953.db2.gz AQGUCBORQSPQQE-UHFFFAOYSA-N 0 0 453.308 4.744 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)C(F)(F)F)o1 ZINC001442609790 1066144177 /nfs/dbraw/zinc/14/41/77/1066144177.db2.gz NZWBGKPHKPTJEG-OYHNWAKOSA-N 0 0 452.473 4.690 20 0 JJADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001442607139 1066144218 /nfs/dbraw/zinc/14/42/18/1066144218.db2.gz FLNRGASQFAIPLV-WASCAKKMSA-N 0 0 453.336 4.560 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C)C1 ZINC001360983725 1066144266 /nfs/dbraw/zinc/14/42/66/1066144266.db2.gz GXOPJKMUFKINIA-CQSZACIVSA-N 0 0 491.448 4.926 20 0 JJADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001442607136 1066144367 /nfs/dbraw/zinc/14/43/67/1066144367.db2.gz FLNRGASQFAIPLV-NOEYKIMYSA-N 0 0 453.336 4.560 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001360984204 1066145249 /nfs/dbraw/zinc/14/52/49/1066145249.db2.gz PALHZJMCYGDAFR-FQEVSTJZSA-N 0 0 473.046 4.842 20 0 JJADRN COc1ccc2c(CC(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)coc2c1C ZINC001442616806 1066145296 /nfs/dbraw/zinc/14/52/96/1066145296.db2.gz OMWGZFDSTBRHQI-UHFFFAOYSA-N 0 0 455.942 4.712 20 0 JJADRN CN(C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360984879 1066146684 /nfs/dbraw/zinc/14/66/84/1066146684.db2.gz KJTVDVSCTDPMMA-NRFANRHFSA-N 0 0 450.970 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 ZINC001442648955 1066146956 /nfs/dbraw/zinc/14/69/56/1066146956.db2.gz NSDNCCSQACBWQH-SANMLTNESA-N 0 0 451.567 4.578 20 0 JJADRN COc1c(C)cnc(CNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1C ZINC001442657157 1066147539 /nfs/dbraw/zinc/14/75/39/1066147539.db2.gz LJEHOCUWLJEYIN-HXUWFJFHSA-N 0 0 453.583 4.582 20 0 JJADRN CSc1cc2c(cc1NC(=O)CCCC(=O)c1ccc(Br)cc1)OCCO2 ZINC001442658214 1066148179 /nfs/dbraw/zinc/14/81/79/1066148179.db2.gz KUJKKPIZMKEUDT-UHFFFAOYSA-N 0 0 450.354 4.934 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)Cc1cccs1 ZINC001360985631 1066148401 /nfs/dbraw/zinc/14/84/01/1066148401.db2.gz HGUXNORKOCBWBX-NQIIRXRSSA-N 0 0 481.666 4.804 20 0 JJADRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)C1 ZINC001442663990 1066148831 /nfs/dbraw/zinc/14/88/31/1066148831.db2.gz SVJFPYRHZNKMAJ-MRXNPFEDSA-N 0 0 458.400 4.562 20 0 JJADRN Cc1cnc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001442664228 1066148853 /nfs/dbraw/zinc/14/88/53/1066148853.db2.gz FAKNJUQIDIHYJM-SFHVURJKSA-N 0 0 453.539 4.507 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442670298 1066150003 /nfs/dbraw/zinc/15/00/03/1066150003.db2.gz VCHHJCMQFCTIPY-MSOLQXFVSA-N 0 0 459.167 4.780 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360986241 1066150180 /nfs/dbraw/zinc/15/01/80/1066150180.db2.gz YICRPKOVWFNHPD-AUSIDOKSSA-N 0 0 476.625 4.627 20 0 JJADRN Cc1nc(CCn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)sc1C ZINC001360986192 1066150239 /nfs/dbraw/zinc/15/02/39/1066150239.db2.gz WVORTRUXKFAUJQ-UHFFFAOYSA-N 0 0 466.655 4.943 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442671678 1066150745 /nfs/dbraw/zinc/15/07/45/1066150745.db2.gz RBAVISJFRAKIQC-TZIWHRDSSA-N 0 0 453.631 4.500 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CCCO1 ZINC001360986300 1066150757 /nfs/dbraw/zinc/15/07/57/1066150757.db2.gz AGDRRIPIFKCQMH-SJLPKXTDSA-N 0 0 493.439 4.891 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC001442680195 1066151273 /nfs/dbraw/zinc/15/12/73/1066151273.db2.gz OJVKYPYNADDQCP-HNNXBMFYSA-N 0 0 459.301 4.749 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442678730 1066151290 /nfs/dbraw/zinc/15/12/90/1066151290.db2.gz VXYIZCKMIMBUGU-ZBFHGGJFSA-N 0 0 451.398 4.645 20 0 JJADRN Cc1ccc(OCCCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 ZINC001442684627 1066151836 /nfs/dbraw/zinc/15/18/36/1066151836.db2.gz TYXUVEOOGIVNCZ-UHFFFAOYSA-N 0 0 454.368 4.631 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc(Br)c1O ZINC001442690921 1066151847 /nfs/dbraw/zinc/15/18/47/1066151847.db2.gz FUAZPNULBAZNQW-SHFAOJGLSA-N 0 0 456.258 4.868 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986416 1066152108 /nfs/dbraw/zinc/15/21/08/1066152108.db2.gz CNNJSGINCZZMNY-RXVVDRJESA-N 0 0 473.021 4.509 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCc2ccc(Oc3ccccc3)nc2)cs1 ZINC001442701569 1066152562 /nfs/dbraw/zinc/15/25/62/1066152562.db2.gz JUAVRWMSPGPANY-HNNXBMFYSA-N 0 0 454.552 4.846 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccco2)n1CCCc1cnn(C)n1 ZINC001360986595 1066153231 /nfs/dbraw/zinc/15/32/31/1066153231.db2.gz HVAVOLHEKDJYJR-GOSISDBHSA-N 0 0 484.004 4.679 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(F)(F)F)n1CCCn1cccn1 ZINC001360986598 1066153238 /nfs/dbraw/zinc/15/32/38/1066153238.db2.gz HVGBYYIKGVZYLH-MRXNPFEDSA-N 0 0 470.927 4.974 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001442708977 1066153617 /nfs/dbraw/zinc/15/36/17/1066153617.db2.gz NOZBTDDMHRITRU-NIYFSFCBSA-N 0 0 453.583 4.950 20 0 JJADRN CCc1c(Br)cc(C(=O)NCCN2Cc3ccccc3C2)cc1Br ZINC001442709478 1066153648 /nfs/dbraw/zinc/15/36/48/1066153648.db2.gz RQTGOVPEGMVJNZ-UHFFFAOYSA-N 0 0 452.190 4.520 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001442708491 1066153660 /nfs/dbraw/zinc/15/36/60/1066153660.db2.gz MHXASRADPSRMBT-FQEVSTJZSA-N 0 0 458.331 4.689 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cs1)C(N)=O ZINC001442709179 1066153691 /nfs/dbraw/zinc/15/36/91/1066153691.db2.gz OBONIFIPMVQPOW-QRWLVFNGSA-N 0 0 454.621 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CCc1nccnc1C ZINC001360986676 1066153722 /nfs/dbraw/zinc/15/37/22/1066153722.db2.gz JPYAKHRFCQDFMW-UXHICEINSA-N 0 0 485.032 4.502 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCSCC1 ZINC001442710484 1066154159 /nfs/dbraw/zinc/15/41/59/1066154159.db2.gz XZSWDYADZQBGSB-DEOSSOPVSA-N 0 0 452.620 4.905 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001442709737 1066154215 /nfs/dbraw/zinc/15/42/15/1066154215.db2.gz SPDASCRMZDFTEU-AREMUKBSSA-N 0 0 456.558 4.632 20 0 JJADRN COc1ccc(C2(NC(=O)c3nc(Br)ccc3Br)CCCC2)cc1 ZINC001442713355 1066154571 /nfs/dbraw/zinc/15/45/71/1066154571.db2.gz HMNPJJXFMGEZIM-UHFFFAOYSA-N 0 0 454.162 4.815 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cscn1 ZINC001360986742 1066154586 /nfs/dbraw/zinc/15/45/86/1066154586.db2.gz KZRGGQVBHRHVFQ-OAHLLOKOSA-N 0 0 490.058 4.989 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC001442717317 1066154675 /nfs/dbraw/zinc/15/46/75/1066154675.db2.gz KUTVBFFJADLREZ-UHFFFAOYSA-N 0 0 450.539 4.778 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001360987055 1066156306 /nfs/dbraw/zinc/15/63/06/1066156306.db2.gz RHZWLKHBSXPGJC-RBBKRZOGSA-N 0 0 453.631 4.518 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001360987056 1066156635 /nfs/dbraw/zinc/15/66/35/1066156635.db2.gz RHZWLKHBSXPGJC-UNMCSNQZSA-N 0 0 453.631 4.518 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCCC2)n1CC(=O)NC(C)C ZINC001360987098 1066156978 /nfs/dbraw/zinc/15/69/78/1066156978.db2.gz SBOUBTAWYHGLNG-SFHVURJKSA-N 0 0 462.038 4.839 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC2)c1 ZINC001442754674 1066157117 /nfs/dbraw/zinc/15/71/17/1066157117.db2.gz HTNAPEUWZOPICO-UHFFFAOYSA-N 0 0 450.564 4.800 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1=CCCCC1 ZINC001360987173 1066157328 /nfs/dbraw/zinc/15/73/28/1066157328.db2.gz UIUMVSRFNMJQRS-WIYYLYMNSA-N 0 0 493.073 4.812 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(C)(C)c1ccccn1 ZINC001360987156 1066157379 /nfs/dbraw/zinc/15/73/79/1066157379.db2.gz UAGUYGFSIQAAJA-RBUKOAKNSA-N 0 0 499.059 4.761 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)C[C@@H]3CCCN(C(=O)NCC(C)C)C3)cc2)cc1 ZINC001442758128 1066157519 /nfs/dbraw/zinc/15/75/19/1066157519.db2.gz CBJRSJDVEJNENR-FQEVSTJZSA-N 0 0 451.567 4.620 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001442760771 1066157521 /nfs/dbraw/zinc/15/75/21/1066157521.db2.gz NBSKKAZBVBWXFI-GOSISDBHSA-N 0 0 458.356 4.523 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1 ZINC001360987202 1066157597 /nfs/dbraw/zinc/15/75/97/1066157597.db2.gz UREFJUPQZZVODN-AZUAARDMSA-N 0 0 495.089 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC1(O)CCC1 ZINC001360987184 1066157614 /nfs/dbraw/zinc/15/76/14/1066157614.db2.gz UMLBEAOTYVYWSZ-WMZOPIPTSA-N 0 0 451.036 4.545 20 0 JJADRN COc1ccc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(C(F)(F)F)c1 ZINC001442761187 1066157788 /nfs/dbraw/zinc/15/77/88/1066157788.db2.gz QCVWJOTYPILWGS-UHFFFAOYSA-N 0 0 455.436 4.871 20 0 JJADRN COc1ccc(CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)c(C(F)(F)F)c1 ZINC001442762015 1066157887 /nfs/dbraw/zinc/15/78/87/1066157887.db2.gz TYLWWCNPTWVACA-UHFFFAOYSA-N 0 0 459.346 4.933 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CC1CC(F)(F)C1 ZINC001360987259 1066157980 /nfs/dbraw/zinc/15/79/80/1066157980.db2.gz WHQCXDZCAVFHHN-MRXNPFEDSA-N 0 0 483.991 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H]1CCOC1 ZINC001360987267 1066158008 /nfs/dbraw/zinc/15/80/08/1066158008.db2.gz WLWCXAQPPOOFQW-HSALFYBXSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1CC1(O)CCCCCC1 ZINC001360987230 1066158040 /nfs/dbraw/zinc/15/80/40/1066158040.db2.gz VGCFVPCBTGVNCT-TZIWHRDSSA-N 0 0 477.049 4.999 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC001442762510 1066158203 /nfs/dbraw/zinc/15/82/03/1066158203.db2.gz HXYIOIOABPQMEY-ZEQRLZLVSA-N 0 0 459.030 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H]1C[C@H]1C ZINC001360987405 1066158344 /nfs/dbraw/zinc/15/83/44/1066158344.db2.gz XIQAOESILVUJKK-KBRIMQKVSA-N 0 0 493.990 4.837 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442771109 1066159017 /nfs/dbraw/zinc/15/90/17/1066159017.db2.gz CBEQLFNQPBIDFE-MSOLQXFVSA-N 0 0 455.640 4.516 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1OC ZINC001360988257 1066159055 /nfs/dbraw/zinc/15/90/55/1066159055.db2.gz YRSSEZXVLPBAIM-QGZVFWFLSA-N 0 0 458.562 4.630 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)c3ccccc3n2)c(C)c1 ZINC001360988586 1066159065 /nfs/dbraw/zinc/15/90/65/1066159065.db2.gz KEWQSLFVDMNPOB-JOCHJYFZSA-N 0 0 455.480 4.754 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360989170 1066159438 /nfs/dbraw/zinc/15/94/38/1066159438.db2.gz ADRZOZHSBWPMGO-WMZOPIPTSA-N 0 0 496.002 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360989169 1066159491 /nfs/dbraw/zinc/15/94/91/1066159491.db2.gz ADRZOZHSBWPMGO-SJLPKXTDSA-N 0 0 496.002 4.839 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc4nn(C(C)C)cc4c3)cc2)c1C ZINC001360989095 1066159515 /nfs/dbraw/zinc/15/95/15/1066159515.db2.gz YNESVFOPAKLIGG-UHFFFAOYSA-N 0 0 459.550 4.778 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1(C)CCCS1 ZINC001360989351 1066160665 /nfs/dbraw/zinc/16/06/65/1066160665.db2.gz CUZGFQHNHDXNAH-OSPHWJPCSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCC(=O)NC(C)C ZINC001360989368 1066160713 /nfs/dbraw/zinc/16/07/13/1066160713.db2.gz DCRXYCMQNIUFLY-ZYSHUDEJSA-N 0 0 462.038 4.838 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1CCCC1 ZINC001360989421 1066161233 /nfs/dbraw/zinc/16/12/33/1066161233.db2.gz FCFFTCMKMNUUHC-GOSISDBHSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@]1(C)COCCO1 ZINC001360989517 1066161844 /nfs/dbraw/zinc/16/18/44/1066161844.db2.gz GNZAYDGNJUGLMO-LFALDJFMSA-N 0 0 495.089 4.824 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360989527 1066161925 /nfs/dbraw/zinc/16/19/25/1066161925.db2.gz GPJAONRUCWXCPL-UHVFKWDWSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(Cc2ccco2)C(C)C)n1CCn1cncn1 ZINC001360989530 1066161931 /nfs/dbraw/zinc/16/19/31/1066161931.db2.gz GRXJBZNKCOQEOB-LJQANCHMSA-N 0 0 484.004 4.988 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCc1ccn(C)n1 ZINC001360989535 1066161943 /nfs/dbraw/zinc/16/19/43/1066161943.db2.gz GTCRYVVJZHUIPK-APWZRJJASA-N 0 0 457.022 4.901 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(CC(C)C)C(C)C)n1CCn1cncn1 ZINC001360989566 1066162092 /nfs/dbraw/zinc/16/20/92/1066162092.db2.gz HHOPNVPOYAUXSH-LJQANCHMSA-N 0 0 460.026 4.851 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CC1=CCCCC1 ZINC001360989673 1066162827 /nfs/dbraw/zinc/16/28/27/1066162827.db2.gz IYYQOXWGIDARBS-GOSISDBHSA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360989686 1066163139 /nfs/dbraw/zinc/16/31/39/1066163139.db2.gz JBNHHCKIBRTERL-GBESFXJTSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H]2C)n1CC1CCS(=O)(=O)CC1 ZINC001360989715 1066163165 /nfs/dbraw/zinc/16/31/65/1066163165.db2.gz JTGDGNDXQKQXSS-ROUUACIJSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]2C)n1CC1CCS(=O)(=O)CC1 ZINC001360989716 1066163176 /nfs/dbraw/zinc/16/31/76/1066163176.db2.gz JTGDGNDXQKQXSS-ZWKOTPCHSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCCS(C)(=O)=O ZINC001360989770 1066163490 /nfs/dbraw/zinc/16/34/90/1066163490.db2.gz KLSDATCDXYXEEN-HBFSDRIKSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C)CC2)n1CC(=O)NC(C)C ZINC001360989803 1066163763 /nfs/dbraw/zinc/16/37/63/1066163763.db2.gz KXZNGAIUCXXMPV-QFBILLFUSA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCNC(=O)C1CC1 ZINC001360989809 1066163830 /nfs/dbraw/zinc/16/38/30/1066163830.db2.gz KYZWLYLBZLNIHK-GOSISDBHSA-N 0 0 474.049 4.841 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@H](C)N1CCOCC1 ZINC001360989800 1066163879 /nfs/dbraw/zinc/16/38/79/1066163879.db2.gz KXVQADAJKNKMSU-ZHNGQKSSSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@@H](C)N1CCOCC1 ZINC001360989798 1066163908 /nfs/dbraw/zinc/16/39/08/1066163908.db2.gz KXVQADAJKNKMSU-GUGJDKNPSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@@H](C)N1CCOCC1 ZINC001360990007 1066164966 /nfs/dbraw/zinc/16/49/66/1066164966.db2.gz ONEOLCGSBNSWHS-NASSWSRMSA-N 0 0 476.065 4.644 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](CC(C)C)C2)n1CCCn1cnnn1 ZINC001360990095 1066165691 /nfs/dbraw/zinc/16/56/91/1066165691.db2.gz PVPYNOMMKRCPEZ-VQTJNVASSA-N 0 0 487.052 4.638 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCC2)n1CC1([S@@](C)=O)CC1 ZINC001360990090 1066165696 /nfs/dbraw/zinc/16/56/96/1066165696.db2.gz PVAINVUUZLLXOO-FZEVHQGJSA-N 0 0 465.063 4.980 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCCn1cnnn1 ZINC001360990093 1066165700 /nfs/dbraw/zinc/16/57/00/1066165700.db2.gz PVPYNOMMKRCPEZ-PMACEKPBSA-N 0 0 487.052 4.638 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1=CCCCC1 ZINC001360990131 1066165849 /nfs/dbraw/zinc/16/58/49/1066165849.db2.gz QCCSKZMMDUWGTG-AZUAARDMSA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(C)C)CC2)n1CCCS(C)(=O)=O ZINC001360990147 1066166273 /nfs/dbraw/zinc/16/62/73/1066166273.db2.gz QHTDSPHLFVSUIJ-IBGZPJMESA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360990249 1066166474 /nfs/dbraw/zinc/16/64/74/1066166474.db2.gz RSEFFADDSQCSCW-SFCDSYMBSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCCO1 ZINC001360990480 1066167766 /nfs/dbraw/zinc/16/77/66/1066167766.db2.gz WDCBBOFWGHMWHR-KNQAVFIVSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)OC2CCCC2)n1CC1(O)CCOCC1 ZINC001360990527 1066167921 /nfs/dbraw/zinc/16/79/21/1066167921.db2.gz WVOLUMXPIIRHNN-GOSISDBHSA-N 0 0 479.021 4.540 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001360990541 1066167939 /nfs/dbraw/zinc/16/79/39/1066167939.db2.gz XAJJGOKUZJBQJK-JTDSTZFVSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001360990535 1066167972 /nfs/dbraw/zinc/16/79/72/1066167972.db2.gz XAAALBKPJJRVIT-PXNZRNTJSA-N 0 0 477.049 4.711 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCSC(C)C ZINC001360990634 1066168735 /nfs/dbraw/zinc/16/87/35/1066168735.db2.gz YOAXQMRCYIMRON-HXOBKFHXSA-N 0 0 480.078 4.532 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360990645 1066168754 /nfs/dbraw/zinc/16/87/54/1066168754.db2.gz YTCURNDFTPJSPC-RAKGEHAVSA-N 0 0 477.049 4.853 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)ccc1C ZINC001360990750 1066168917 /nfs/dbraw/zinc/16/89/17/1066168917.db2.gz CUTAKQGBSYFXEC-HSZRJFAPSA-N 0 0 455.963 4.774 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)Cc2coc3ccccc23)c2ccc(Cl)cc2)c1 ZINC001360990916 1066169219 /nfs/dbraw/zinc/16/92/19/1066169219.db2.gz FXNCKOBMNSCNSX-XMMPIXPASA-N 0 0 453.947 4.938 20 0 JJADRN CCCc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cnn1C1CCCC1 ZINC001360990966 1066169226 /nfs/dbraw/zinc/16/92/26/1066169226.db2.gz HTCFYVKPURRRLG-SFHVURJKSA-N 0 0 457.018 4.520 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360991367 1066169746 /nfs/dbraw/zinc/16/97/46/1066169746.db2.gz QPTCVHOBBIENAB-LJQANCHMSA-N 0 0 454.998 4.967 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1CCOC(C)(C)C ZINC001360991635 1066170255 /nfs/dbraw/zinc/17/02/55/1066170255.db2.gz DOKBRWFPNWTDBY-QZTJIDSGSA-N 0 0 451.011 4.729 20 0 JJADRN COc1ccc(/C=C/C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360991560 1066170263 /nfs/dbraw/zinc/17/02/63/1066170263.db2.gz UPAZRAHDRYDJLT-ZJRYQZHFSA-N 0 0 455.963 4.671 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC(C)(C)[C@@H]2C)cnn1C ZINC001360991682 1066170560 /nfs/dbraw/zinc/17/05/60/1066170560.db2.gz FCUALPVWPJLERN-MOPGFXCFSA-N 0 0 487.048 4.782 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CC1CC1 ZINC001360992203 1066171341 /nfs/dbraw/zinc/17/13/41/1066171341.db2.gz KQSRVGZJAFMZDX-RXVVDRJESA-N 0 0 463.022 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC1(O)CCC1 ZINC001360992282 1066171512 /nfs/dbraw/zinc/17/15/12/1066171512.db2.gz MIQZLIXGXLDVHW-PZJWPPBQSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001360993037 1066172874 /nfs/dbraw/zinc/17/28/74/1066172874.db2.gz XBVOPUZVKUKFMC-AQNXPRMDSA-N 0 0 477.049 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC1(C)CC1 ZINC001360993054 1066172941 /nfs/dbraw/zinc/17/29/41/1066172941.db2.gz XQLABEBFSQLKHH-IBGZPJMESA-N 0 0 474.049 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1CCCOC(F)(F)F ZINC001360993131 1066173037 /nfs/dbraw/zinc/17/30/37/1066173037.db2.gz ZDXHJCBLKTUSIK-HZPDHXFCSA-N 0 0 476.927 4.840 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1(C)CCC1 ZINC001360993152 1066173313 /nfs/dbraw/zinc/17/33/13/1066173313.db2.gz ZKZLZXSYTGWAOV-MSOLQXFVSA-N 0 0 460.022 4.545 20 0 JJADRN CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001360993668 1066173337 /nfs/dbraw/zinc/17/33/37/1066173337.db2.gz NCSYWAWXUMSTHV-KRWDZBQOSA-N 0 0 455.274 4.736 20 0 JJADRN COC(=O)CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)c1cccc(C)n1 ZINC001360993252 1066173393 /nfs/dbraw/zinc/17/33/93/1066173393.db2.gz BOZJYRAUZXKXQM-UHFFFAOYSA-N 0 0 451.367 4.762 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3ccc(OCC(C)C)cc3)CC2)c(C)o1 ZINC001360994147 1066173542 /nfs/dbraw/zinc/17/35/42/1066173542.db2.gz BKJHZEREYRROKB-UHFFFAOYSA-N 0 0 479.625 4.657 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)C)CC2)c(C)o1 ZINC001360994295 1066173559 /nfs/dbraw/zinc/17/35/59/1066173559.db2.gz GWOPNPLUYJQIFH-UHFFFAOYSA-N 0 0 470.017 4.741 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3F)CC2)c(C)o1 ZINC001360994479 1066173781 /nfs/dbraw/zinc/17/37/81/1066173781.db2.gz NJAHXKDBLSTUQI-LJQANCHMSA-N 0 0 497.615 4.646 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@H]3C)CC2)c(C)o1 ZINC001360995138 1066174313 /nfs/dbraw/zinc/17/43/13/1066174313.db2.gz NOKJZLALOHQMFT-YLJYHZDGSA-N 0 0 455.647 4.912 20 0 JJADRN Cc1cc([C@@H](NC(=O)CSc2nnnn2C2CCCC2)c2ccccc2Cl)ccc1F ZINC001360995352 1066174318 /nfs/dbraw/zinc/17/43/18/1066174318.db2.gz CLYBIEVSZJROTF-OAQYLSRUSA-N 0 0 459.978 4.887 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCO[C@@H](C)C3)CC2)c(C)o1 ZINC001360995079 1066174331 /nfs/dbraw/zinc/17/43/31/1066174331.db2.gz LLTMWDSRYXZIGF-RXVVDRJESA-N 0 0 485.673 4.681 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001360996909 1066175485 /nfs/dbraw/zinc/17/54/85/1066175485.db2.gz WAICIPHXWXDBNB-XXBNENTESA-N 0 0 453.583 4.896 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(C)o1 ZINC001360997272 1066175935 /nfs/dbraw/zinc/17/59/35/1066175935.db2.gz FCUUWQVPECCSOH-PXDATVDWSA-N 0 0 490.551 4.698 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)c(C)o1 ZINC001360997346 1066175949 /nfs/dbraw/zinc/17/59/49/1066175949.db2.gz GGONQEDVXFRQJR-URXFXBBRSA-N 0 0 458.990 4.577 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCCO2)c(C)o1 ZINC001360997358 1066175992 /nfs/dbraw/zinc/17/59/92/1066175992.db2.gz GKSDRPWECCRMDT-OUDXUNEISA-N 0 0 486.588 4.680 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C(C)C)C2)c(C)o1 ZINC001360997490 1066176152 /nfs/dbraw/zinc/17/61/52/1066176152.db2.gz IMEWPWRLIMLOHA-WMZHIEFXSA-N 0 0 476.046 4.689 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCSC[C@@H]2C)c(C)o1 ZINC001360997511 1066176412 /nfs/dbraw/zinc/17/64/12/1066176412.db2.gz IZPKSIBNHHKJPG-XMHCIUCPSA-N 0 0 464.994 4.797 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccccc3Cl)C2)c(C)o1 ZINC001360997559 1066176425 /nfs/dbraw/zinc/17/64/25/1066176425.db2.gz KAYJNJMLFXFDQH-QPPBQGQZSA-N 0 0 458.990 4.750 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CC2)c(C)o1 ZINC001360997890 1066176841 /nfs/dbraw/zinc/17/68/41/1066176841.db2.gz PTSAWUSOXVQCQO-OAQYLSRUSA-N 0 0 463.351 4.563 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCC[C@@H](C)C2)c(C)o1 ZINC001360998004 1066177001 /nfs/dbraw/zinc/17/70/01/1066177001.db2.gz SFDMOPARUJITKQ-XGCWNURASA-N 0 0 479.625 4.891 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998228 1066177533 /nfs/dbraw/zinc/17/75/33/1066177533.db2.gz XIUXRVZYGOTECM-NIYFSFCBSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCOC2)c(C)o1 ZINC001360998329 1066177742 /nfs/dbraw/zinc/17/77/42/1066177742.db2.gz ZFYBMLHAYIWDLV-MPCDZSKCSA-N 0 0 489.016 4.662 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(C)o1 ZINC001360998374 1066177764 /nfs/dbraw/zinc/17/77/64/1066177764.db2.gz ZZHHLEIISJXUHJ-OKMGNEIESA-N 0 0 496.652 4.695 20 0 JJADRN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001360999151 1066177990 /nfs/dbraw/zinc/17/79/90/1066177990.db2.gz HUNVNLNZBBKCGN-GOSISDBHSA-N 0 0 456.995 4.847 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)c(C)o1 ZINC001360999805 1066178159 /nfs/dbraw/zinc/17/81/59/1066178159.db2.gz ORTVHIOMCITSQQ-XMMPIXPASA-N 0 0 469.948 4.887 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)Oc1ccccc1C ZINC001360999541 1066178168 /nfs/dbraw/zinc/17/81/68/1066178168.db2.gz NDLOUWHROVWMQK-XJUOHMSHSA-N 0 0 452.595 4.751 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)o1 ZINC001360999596 1066178171 /nfs/dbraw/zinc/17/81/71/1066178171.db2.gz NGDLOSKFOPJVOV-HRAATJIYSA-N 0 0 499.559 4.749 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1)Oc1ccccc1C ZINC001360999538 1066178175 /nfs/dbraw/zinc/17/81/75/1066178175.db2.gz NDLOUWHROVWMQK-FUPPJEDESA-N 0 0 452.595 4.751 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)o1 ZINC001360999597 1066178182 /nfs/dbraw/zinc/17/81/82/1066178182.db2.gz NGDLOSKFOPJVOV-IERDGZPVSA-N 0 0 499.559 4.749 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)c(C)o1 ZINC001361000647 1066178776 /nfs/dbraw/zinc/17/87/76/1066178776.db2.gz XLTHJOJARSUMEV-MUUNZHRXSA-N 0 0 499.700 4.603 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(Br)c2)c(Br)cc1F ZINC001361001005 1066178806 /nfs/dbraw/zinc/17/88/06/1066178806.db2.gz GYGZIGJLFBQOGF-VIFPVBQESA-N 0 0 459.109 4.880 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001361001605 1066179055 /nfs/dbraw/zinc/17/90/55/1066179055.db2.gz WDXGYVNKWRJQBS-SIKLNZKXSA-N 0 0 457.393 4.970 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001361001236 1066179058 /nfs/dbraw/zinc/17/90/58/1066179058.db2.gz LZQNMXRDFNAROE-REWPJTCUSA-N 0 0 454.368 4.720 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 ZINC001361002151 1066179104 /nfs/dbraw/zinc/17/91/04/1066179104.db2.gz BCJPSLKOEDYUPB-MYYSRTQBSA-N 0 0 457.644 4.624 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001361001234 1066179106 /nfs/dbraw/zinc/17/91/06/1066179106.db2.gz LZQNMXRDFNAROE-NZQKXSOJSA-N 0 0 454.368 4.720 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c(Br)cc1F ZINC001361001567 1066179109 /nfs/dbraw/zinc/17/91/09/1066179109.db2.gz UWSVHMWVINBPGN-UHFFFAOYSA-N 0 0 459.271 4.698 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC(C(F)(F)F)CC2)c(C)o1 ZINC001361002304 1066179264 /nfs/dbraw/zinc/17/92/64/1066179264.db2.gz BTAAMLTUTCOURE-NRFANRHFSA-N 0 0 468.545 4.827 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N2CCCC(C)(C)C2)c(C)o1 ZINC001361002536 1066179532 /nfs/dbraw/zinc/17/95/32/1066179532.db2.gz FEKRGOARLCNDOK-RUZDIDTESA-N 0 0 458.553 4.891 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2Cc3cccc(Br)c3C2)c(C)o1 ZINC001361003012 1066180043 /nfs/dbraw/zinc/18/00/43/1066180043.db2.gz MNPBPQGLDDHUNX-QHCPKHFHSA-N 0 0 473.415 4.877 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccc3C)nnc2N2CCC=C(Br)C2)c(C)o1 ZINC001361003141 1066180477 /nfs/dbraw/zinc/18/04/77/1066180477.db2.gz PIBNCLUZVFGWQM-DEOSSOPVSA-N 0 0 485.426 4.784 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccccc2Cl)c(C)o1 ZINC001361003119 1066180513 /nfs/dbraw/zinc/18/05/13/1066180513.db2.gz ORTDXNISTPKJNM-AREMUKBSSA-N 0 0 496.011 4.550 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)c(C)o1 ZINC001361003295 1066180711 /nfs/dbraw/zinc/18/07/11/1066180711.db2.gz RVNCATOFVMAJBF-MUUNZHRXSA-N 0 0 496.652 4.985 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)c(C)o1 ZINC001361003550 1066181059 /nfs/dbraw/zinc/18/10/59/1066181059.db2.gz XBRQGLXUSBSBCP-MHZLTWQESA-N 0 0 465.642 4.831 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)c(C)o1 ZINC001361003387 1066181083 /nfs/dbraw/zinc/18/10/83/1066181083.db2.gz TUHDJTFKNWQNES-HSZRJFAPSA-N 0 0 478.490 4.824 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)c(C)o1 ZINC001361003423 1066181178 /nfs/dbraw/zinc/18/11/78/1066181178.db2.gz ULJXVOIXDPRBNQ-GAJHUEQPSA-N 0 0 496.505 4.892 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c(C)o1 ZINC001361003604 1066181440 /nfs/dbraw/zinc/18/14/40/1066181440.db2.gz XSLKZDBKXCQOFJ-AMGIVPHBSA-N 0 0 484.616 4.909 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001361003884 1066181908 /nfs/dbraw/zinc/18/19/08/1066181908.db2.gz DKBCCEWGRIRKRW-JKSUJKDBSA-N 0 0 488.455 4.548 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361003748 1066181950 /nfs/dbraw/zinc/18/19/50/1066181950.db2.gz AKJCITCJQBDHLD-NHCUHLMSSA-N 0 0 476.625 4.898 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361004844 1066183057 /nfs/dbraw/zinc/18/30/57/1066183057.db2.gz UMJWXPCYNPNCPH-UYAOXDASSA-N 0 0 459.516 5.000 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1 ZINC001361005604 1066184196 /nfs/dbraw/zinc/18/41/96/1066184196.db2.gz WRIUXCLDXBQCOR-UHFFFAOYSA-N 0 0 456.340 4.610 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)CCCOc2ccc(C)cc2Cl)ccn1 ZINC001361006665 1066184595 /nfs/dbraw/zinc/18/45/95/1066184595.db2.gz VCEBHFPUJDXOGY-UHFFFAOYSA-N 0 0 453.926 4.993 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](C)c2cccc(C)c2)n1 ZINC001361007283 1066186534 /nfs/dbraw/zinc/18/65/34/1066186534.db2.gz HWAMORYWZYPTJS-HXUWFJFHSA-N 0 0 450.631 4.646 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001361007535 1066187002 /nfs/dbraw/zinc/18/70/02/1066187002.db2.gz NFOJKXPPOBQHHC-GDBMZVCRSA-N 0 0 458.488 4.536 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCC(F)(F)F)c1 ZINC001361007407 1066187022 /nfs/dbraw/zinc/18/70/22/1066187022.db2.gz KKCBFRKMKZDFBU-LJQANCHMSA-N 0 0 487.574 4.953 20 0 JJADRN Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001361007780 1066187038 /nfs/dbraw/zinc/18/70/38/1066187038.db2.gz PLMHMVQPJHLHRF-QGZVFWFLSA-N 0 0 467.536 4.655 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)c3cccc(C)c3)CC2)s1 ZINC001361007426 1066187059 /nfs/dbraw/zinc/18/70/59/1066187059.db2.gz KOKUNZKVKAWDNG-FQEVSTJZSA-N 0 0 452.672 4.676 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007808 1066187632 /nfs/dbraw/zinc/18/76/32/1066187632.db2.gz PZNBQRUTWKNOGQ-URXFXBBRSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccncc2)nnc1N1CCSC(C)(C)C1 ZINC001361008172 1066188136 /nfs/dbraw/zinc/18/81/36/1066188136.db2.gz JAPDHUTUXFNPQG-UHFFFAOYSA-N 0 0 461.557 4.971 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001361008047 1066188201 /nfs/dbraw/zinc/18/82/01/1066188201.db2.gz GWIDNNFKMMHVSW-FQEVSTJZSA-N 0 0 476.547 4.554 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001361008222 1066188639 /nfs/dbraw/zinc/18/86/39/1066188639.db2.gz JLXXTKATNVQPDK-UHFFFAOYSA-N 0 0 463.548 4.616 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001361008302 1066188772 /nfs/dbraw/zinc/18/87/72/1066188772.db2.gz WINYTFHZBGNSMY-ADYITMSISA-N 0 0 483.657 4.791 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001361008346 1066189282 /nfs/dbraw/zinc/18/92/82/1066189282.db2.gz WQWMQEVFKLVQFM-SFHVURJKSA-N 0 0 461.532 4.682 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001361008367 1066189360 /nfs/dbraw/zinc/18/93/60/1066189360.db2.gz LHXFNRUDQVQTEZ-SFHVURJKSA-N 0 0 460.548 4.970 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001361008808 1066190838 /nfs/dbraw/zinc/19/08/38/1066190838.db2.gz UJLPGYDPHATXLE-KBRIMQKVSA-N 0 0 478.437 4.661 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1)c1ccccc1 ZINC001361009232 1066191743 /nfs/dbraw/zinc/19/17/43/1066191743.db2.gz HPPIBGXPPPKYFY-MSOLQXFVSA-N 0 0 452.551 4.625 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NC[C@H]1SCCc3ccccc31)N2C(=O)OC(C)(C)C ZINC001361009854 1066192001 /nfs/dbraw/zinc/19/20/01/1066192001.db2.gz ISJOCMQNKXTVKU-FCHUYYIVSA-N 0 0 456.583 4.947 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001361010047 1066192639 /nfs/dbraw/zinc/19/26/39/1066192639.db2.gz TZDIKJQFYOZVEX-INIZCTEOSA-N 0 0 456.377 4.523 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC001361010793 1066193380 /nfs/dbraw/zinc/19/33/80/1066193380.db2.gz ZBQJJCCDOCYJIH-IUKKYPGJSA-N 0 0 456.558 4.770 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c(C)c1 ZINC001361011645 1066194715 /nfs/dbraw/zinc/19/47/15/1066194715.db2.gz YEMKTZYANNYRQJ-FQEVSTJZSA-N 0 0 483.554 4.516 20 0 JJADRN Cc1cc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(C)OC(C)(C)C2)c(C)c1 ZINC001361011880 1066195547 /nfs/dbraw/zinc/19/55/47/1066195547.db2.gz HTTOYRJIYRGFTQ-UHFFFAOYSA-N 0 0 481.666 4.637 20 0 JJADRN Cc1cc(C)c(Cn2c(N3CCO[C@H](C(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011947 1066196072 /nfs/dbraw/zinc/19/60/72/1066196072.db2.gz KEWUUNWEKOEZCY-HOFKKMOUSA-N 0 0 470.658 4.544 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCOCC2)c(C)c1 ZINC001361012170 1066196705 /nfs/dbraw/zinc/19/67/05/1066196705.db2.gz RCOJDAMCXZRSHK-QFIPXVFZSA-N 0 0 469.630 4.550 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCc2ccsc2)c(C)c1 ZINC001361012157 1066196889 /nfs/dbraw/zinc/19/68/89/1066196889.db2.gz QPIVODKIJSTJOH-UHFFFAOYSA-N 0 0 460.607 4.644 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)o1 ZINC001361012255 1066197388 /nfs/dbraw/zinc/19/73/88/1066197388.db2.gz VHHOFQCKIDHQGM-AREMUKBSSA-N 0 0 452.599 4.830 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccco2)c(C)c1 ZINC001361012496 1066198085 /nfs/dbraw/zinc/19/80/85/1066198085.db2.gz ZFOXLCJARFPXLY-UHFFFAOYSA-N 0 0 497.397 4.677 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)c2ccccn2)c(C)c1 ZINC001361014101 1066199540 /nfs/dbraw/zinc/19/95/40/1066199540.db2.gz GNDBTURBFIECSC-JOCHJYFZSA-N 0 0 490.652 4.893 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(C)CCCC2)c(C)c1 ZINC001361014592 1066201146 /nfs/dbraw/zinc/20/11/46/1066201146.db2.gz QTMHFPQAFRLIJD-UHFFFAOYSA-N 0 0 460.626 4.844 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)nc2)c(C)c1 ZINC001361014588 1066201184 /nfs/dbraw/zinc/20/11/84/1066201184.db2.gz QSJCUIXXRADJKR-UHFFFAOYSA-N 0 0 489.668 4.520 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014709 1066201746 /nfs/dbraw/zinc/20/17/46/1066201746.db2.gz SZEREQBCKRWAHJ-NRFANRHFSA-N 0 0 481.666 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCc2cc(C)cc(C)c2)o1 ZINC001361014791 1066201778 /nfs/dbraw/zinc/20/17/78/1066201778.db2.gz IVGSOWCKCLBBCV-HSZRJFAPSA-N 0 0 463.626 4.695 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2CCCCO2)c(C)c1 ZINC001361014722 1066201884 /nfs/dbraw/zinc/20/18/84/1066201884.db2.gz TUPTWWMLTNRSKK-GOTSBHOMSA-N 0 0 483.657 4.522 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2)c(C)c1 ZINC001361015045 1066202290 /nfs/dbraw/zinc/20/22/90/1066202290.db2.gz XORXXILGRQTZGJ-JOCHJYFZSA-N 0 0 478.666 4.550 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2cc(C)cc(C)c2)cnn1C ZINC001361015425 1066203435 /nfs/dbraw/zinc/20/34/35/1066203435.db2.gz YELCFIXEUBYFFI-UHFFFAOYSA-N 0 0 482.430 4.574 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016349 1066204477 /nfs/dbraw/zinc/20/44/77/1066204477.db2.gz MRDVLSCEONIRHF-AFQFEXIYSA-N 0 0 450.623 4.508 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3CCOC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361017629 1066206930 /nfs/dbraw/zinc/20/69/30/1066206930.db2.gz YODXITXFWGXRMG-QFIPXVFZSA-N 0 0 483.657 4.525 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2CCSC(F)(F)F)c1 ZINC001361017920 1066207417 /nfs/dbraw/zinc/20/74/17/1066207417.db2.gz FVTJVZZXQKRCEU-LJQANCHMSA-N 0 0 494.587 4.974 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361018986 1066208628 /nfs/dbraw/zinc/20/86/28/1066208628.db2.gz USIHSMDPEQRIJN-YLJYHZDGSA-N 0 0 467.580 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCCO[C@H]2CCOC2)c1 ZINC001361019356 1066209393 /nfs/dbraw/zinc/20/93/93/1066209393.db2.gz ZQXYBWDPAHMAHP-HXJXPZHGSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cscn2)cs1 ZINC001361020835 1066211633 /nfs/dbraw/zinc/21/16/33/1066211633.db2.gz JTABSYBOKGTEIS-UHFFFAOYSA-N 0 0 454.625 4.574 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccco2)c(C)o1 ZINC001361020966 1066212484 /nfs/dbraw/zinc/21/24/84/1066212484.db2.gz OJFZLVFGKQNNHA-SANMLTNESA-N 0 0 464.566 4.821 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2NC(=O)CC2(C)C)c1 ZINC001361021136 1066212976 /nfs/dbraw/zinc/21/29/76/1066212976.db2.gz RASIQIPYQMWRRR-IBGZPJMESA-N 0 0 488.057 4.740 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCCC2)s1 ZINC001361021101 1066213257 /nfs/dbraw/zinc/21/32/57/1066213257.db2.gz QJESZMRGNLFRRC-UHFFFAOYSA-N 0 0 467.639 4.526 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361021370 1066214380 /nfs/dbraw/zinc/21/43/80/1066214380.db2.gz VXYALDPACMCHSS-QHCPKHFHSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CSCCS2)o1 ZINC001361021539 1066214982 /nfs/dbraw/zinc/21/49/82/1066214982.db2.gz YLRKSLQNSXEARR-NRFANRHFSA-N 0 0 458.653 4.860 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccon2)n1 ZINC001361021950 1066215735 /nfs/dbraw/zinc/21/57/35/1066215735.db2.gz BBXCWQJWJJSGMC-QGZVFWFLSA-N 0 0 452.584 4.667 20 0 JJADRN NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 ZINC001361021767 1066215788 /nfs/dbraw/zinc/21/57/88/1066215788.db2.gz USELVQSHBAETIV-UHFFFAOYSA-N 0 0 451.473 4.711 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCSC2(C)C)no1 ZINC001361021920 1066215799 /nfs/dbraw/zinc/21/57/99/1066215799.db2.gz ALGBNKQPKWNLGJ-LJQANCHMSA-N 0 0 455.628 4.938 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCc2cccc(C)n2)c1 ZINC001361021905 1066215865 /nfs/dbraw/zinc/21/58/65/1066215865.db2.gz ABEOEEWDEHOFBN-UHFFFAOYSA-N 0 0 493.652 4.645 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)F)c(C)o1 ZINC001361022190 1066216806 /nfs/dbraw/zinc/21/68/06/1066216806.db2.gz IMEKWAMGWRKPBA-DEOSSOPVSA-N 0 0 462.541 4.683 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361022365 1066218031 /nfs/dbraw/zinc/21/80/31/1066218031.db2.gz ODBOEFBHAIMXQT-MUUNZHRXSA-N 0 0 477.653 4.879 20 0 JJADRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023037 1066219192 /nfs/dbraw/zinc/21/91/92/1066219192.db2.gz FPFCGTHNZFDTQP-HJPURHCSSA-N 0 0 459.970 4.967 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC(=O)NC2CCCCC2)c1 ZINC001361023566 1066219900 /nfs/dbraw/zinc/21/99/00/1066219900.db2.gz AYHPCFJFRWZDBA-NQIIRXRSSA-N 0 0 453.631 4.548 20 0 JJADRN COc1ccc([C@@H](C)CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361023814 1066220073 /nfs/dbraw/zinc/22/00/73/1066220073.db2.gz QDRRRVJCZOFCPR-GKVSMKOHSA-N 0 0 455.551 4.637 20 0 JJADRN COc1ccc([C@H](C)CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361023816 1066220747 /nfs/dbraw/zinc/22/07/47/1066220747.db2.gz QDRRRVJCZOFCPR-NSYGIPOTSA-N 0 0 455.551 4.637 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361023905 1066220798 /nfs/dbraw/zinc/22/07/98/1066220798.db2.gz FRSKYHUMMLFCMX-FGZHOGPDSA-N 0 0 467.658 4.747 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442775257 1066221093 /nfs/dbraw/zinc/22/10/93/1066221093.db2.gz IUMLYEUNBCNYBQ-RXVVDRJESA-N 0 0 453.583 4.702 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)O[C@H](C)C2 ZINC001442772533 1066221351 /nfs/dbraw/zinc/22/13/51/1066221351.db2.gz WEFAHXGKUBHEMA-CVEARBPZSA-N 0 0 455.555 4.774 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361024088 1066221371 /nfs/dbraw/zinc/22/13/71/1066221371.db2.gz HQPOSEQUTCLTBD-BGYRXZFFSA-N 0 0 467.580 4.840 20 0 JJADRN C[C@H](CCOc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361024146 1066221405 /nfs/dbraw/zinc/22/14/05/1066221405.db2.gz SOHLJXKYXLNIIC-KOSHJBKYSA-N 0 0 455.551 4.540 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1)OC ZINC001545951793 1066221700 /nfs/dbraw/zinc/22/17/00/1066221700.db2.gz CLMMGWLXCSRQPN-QWFCFKBJSA-N 0 0 451.011 4.729 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361024463 1066222100 /nfs/dbraw/zinc/22/21/00/1066222100.db2.gz MICXDBUHFWUBLX-IBVKSMDESA-N 0 0 452.599 4.847 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)NCC3(O)CCC(F)(F)CC3)cc2s1 ZINC001453932737 1066222552 /nfs/dbraw/zinc/22/25/52/1066222552.db2.gz OBYIJNLRNVPNKC-UHFFFAOYSA-N 0 0 453.536 4.780 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2ccc(C)cc2)O1 ZINC001546056218 1066223198 /nfs/dbraw/zinc/22/31/98/1066223198.db2.gz CIZZELGGUAHGIH-DVECYGJZSA-N 0 0 453.612 4.694 20 0 JJADRN O=C(N1CCc2ccc(F)c(Br)c2C1)C1(c2ccccc2Cl)CCOCC1 ZINC001453940771 1066223214 /nfs/dbraw/zinc/22/32/14/1066223214.db2.gz CYGNPEFKNVUXKS-UHFFFAOYSA-N 0 0 452.751 4.875 20 0 JJADRN CCC[C@H](NC(=O)Cc1nc(C2CCCC2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442799308 1066223534 /nfs/dbraw/zinc/22/35/34/1066223534.db2.gz NPKMZADWJMEOQN-NRFANRHFSA-N 0 0 454.640 4.867 20 0 JJADRN O=C(c1cc(F)ccc1I)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001442801984 1066223991 /nfs/dbraw/zinc/22/39/91/1066223991.db2.gz URJCYBMQDQTVEY-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)C(C)(C)C ZINC001453942427 1066224039 /nfs/dbraw/zinc/22/40/39/1066224039.db2.gz JYYUCFGLCHQGEZ-MRXNPFEDSA-N 0 0 457.384 4.802 20 0 JJADRN C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccncc1 ZINC001442799810 1066224058 /nfs/dbraw/zinc/22/40/58/1066224058.db2.gz GUDGMBIXULGOFD-VLIAUNLRSA-N 0 0 456.315 4.583 20 0 JJADRN C[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccncc1 ZINC001442799806 1066224121 /nfs/dbraw/zinc/22/41/21/1066224121.db2.gz GUDGMBIXULGOFD-VBKZILBWSA-N 0 0 456.315 4.583 20 0 JJADRN O=C(c1ccc(NCCc2ccccn2)cc1)N1CCc2ccc(F)c(Br)c2C1 ZINC001453949034 1066224655 /nfs/dbraw/zinc/22/46/55/1066224655.db2.gz YGRFXJKXAYUDCU-UHFFFAOYSA-N 0 0 454.343 4.836 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)C1 ZINC001361025596 1066224716 /nfs/dbraw/zinc/22/47/16/1066224716.db2.gz IYEWEOUMOTWJSD-LJQANCHMSA-N 0 0 454.567 4.571 20 0 JJADRN Cn1nc2c(c1C(=O)Nc1ccc(OCc3ccccc3)c(Br)c1)CSCC2 ZINC001361025540 1066224849 /nfs/dbraw/zinc/22/48/49/1066224849.db2.gz GTRYCTYSRVINER-UHFFFAOYSA-N 0 0 458.381 4.803 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546056432 1066225359 /nfs/dbraw/zinc/22/53/59/1066225359.db2.gz FTOBBYYAEBQGKV-ZVOVDXHFSA-N 0 0 475.678 4.804 20 0 JJADRN Cc1cccc(CC2CN(C(=O)c3cccn3-c3cccc(I)c3)C2)c1 ZINC001453956696 1066225368 /nfs/dbraw/zinc/22/53/68/1066225368.db2.gz XADRNJWSBVTEFE-UHFFFAOYSA-N 0 0 456.327 4.705 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c(O)c1 ZINC001442807639 1066225427 /nfs/dbraw/zinc/22/54/27/1066225427.db2.gz YSKOSCQWENNAFE-HXUWFJFHSA-N 0 0 457.299 4.712 20 0 JJADRN Cc1cccc(CC2CN(C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)C2)c1 ZINC001453962962 1066226271 /nfs/dbraw/zinc/22/62/71/1066226271.db2.gz UHYCGBYVZQZEJA-UHFFFAOYSA-N 0 0 454.979 4.764 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c1 ZINC001442812269 1066226215 /nfs/dbraw/zinc/22/62/15/1066226215.db2.gz KUGYEFNBQPMGRE-FQEVSTJZSA-N 0 0 452.576 4.642 20 0 JJADRN C[C@H](NC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1Oc1ccccc1 ZINC001442812732 1066226290 /nfs/dbraw/zinc/22/62/90/1066226290.db2.gz MSQASLVTVYLHRH-SIBVEZHUSA-N 0 0 454.567 4.808 20 0 JJADRN CC(C)(CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)[C@]1(O)CCCOC1 ZINC001453964637 1066226326 /nfs/dbraw/zinc/22/63/26/1066226326.db2.gz WWXAOXOTIGMTIG-QHCPKHFHSA-N 0 0 450.362 4.522 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361026588 1066226722 /nfs/dbraw/zinc/22/67/22/1066226722.db2.gz CWTNSAZTGLKEQR-QZTJIDSGSA-N 0 0 465.425 4.924 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)nc1 ZINC001453968057 1066226951 /nfs/dbraw/zinc/22/69/51/1066226951.db2.gz AGLPUVAWMYUXSM-UHFFFAOYSA-N 0 0 455.559 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c1 ZINC001442828030 1066227841 /nfs/dbraw/zinc/22/78/41/1066227841.db2.gz ZVYXWDYSPONFJE-AKIFATBCSA-N 0 0 480.561 4.691 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)c3scc(C)c3Br)CC2)c(OC)c1 ZINC001453971664 1066227775 /nfs/dbraw/zinc/22/77/75/1066227775.db2.gz LHWCAYIXNWAYRN-UHFFFAOYSA-N 0 0 454.386 4.865 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)c3csc(Br)c3C)CC2)c(OC)c1 ZINC001453975135 1066228302 /nfs/dbraw/zinc/22/83/02/1066228302.db2.gz RVDQOTGCFBOHBJ-UHFFFAOYSA-N 0 0 454.386 4.865 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)/C=C\c2ccccc2O[C@H](C)CC)c(F)cc1F ZINC001442830969 1066228368 /nfs/dbraw/zinc/22/83/68/1066228368.db2.gz ALWPUZFJFJSVOT-JQPIKURYSA-N 0 0 452.523 4.946 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001545952243 1066228501 /nfs/dbraw/zinc/22/85/01/1066228501.db2.gz JDFNZYBNLIYCRI-ILWGZMRPSA-N 0 0 470.593 4.637 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545952244 1066228578 /nfs/dbraw/zinc/22/85/78/1066228578.db2.gz JDFNZYBNLIYCRI-KSEOMHKRSA-N 0 0 470.593 4.637 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@H](Cc3ccccc3)c3ccccc3)nn2C)cc1OC ZINC001361027321 1066228931 /nfs/dbraw/zinc/22/89/31/1066228931.db2.gz PSYZIVWFEOQMKW-QHCPKHFHSA-N 0 0 455.558 4.861 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)/C(=C/c2ccccc2)C(F)(F)F)c2ccccc2)c1 ZINC001361027095 1066228990 /nfs/dbraw/zinc/22/89/90/1066228990.db2.gz NKUPNCNCSJGEEP-PHCAOYFPSA-N 0 0 459.489 4.942 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)cc1 ZINC001453979898 1066229160 /nfs/dbraw/zinc/22/91/60/1066229160.db2.gz YKSBXZQMAHWHNS-HCROLABASA-N 0 0 451.405 4.741 20 0 JJADRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(F)c(Br)c1F ZINC001453986662 1066229791 /nfs/dbraw/zinc/22/97/91/1066229791.db2.gz WQHFOJFXLKATCN-HNNXBMFYSA-N 0 0 457.340 4.526 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)O1 ZINC001546056584 1066230037 /nfs/dbraw/zinc/23/00/37/1066230037.db2.gz HOAQNXNITFOFCY-YZIHRLCOSA-N 0 0 456.631 4.862 20 0 JJADRN 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Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361027875 1066231214 /nfs/dbraw/zinc/23/12/14/1066231214.db2.gz SQOFQYGZPCIYAA-JOCHJYFZSA-N 0 0 462.642 4.856 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)O1 ZINC001546057126 1066231280 /nfs/dbraw/zinc/23/12/80/1066231280.db2.gz NYFZYJVDTVHNRZ-RLWLMLJZSA-N 0 0 456.631 4.863 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccc2OC)O1 ZINC001546057189 1066231332 /nfs/dbraw/zinc/23/13/32/1066231332.db2.gz OOOMXIUZDVANAW-PXDATVDWSA-N 0 0 470.017 4.910 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546057210 1066231362 /nfs/dbraw/zinc/23/13/62/1066231362.db2.gz OTTAXURTYJRQPF-ZLIGTFTASA-N 0 0 497.684 4.857 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361028106 1066231798 /nfs/dbraw/zinc/23/17/98/1066231798.db2.gz GOEWAZSQTVEXTG-QHCPKHFHSA-N 0 0 476.499 4.673 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361028002 1066231839 /nfs/dbraw/zinc/23/18/39/1066231839.db2.gz VSGNTUWYJKHLCI-LJQANCHMSA-N 0 0 493.599 4.965 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)O1 ZINC001546057297 1066231757 /nfs/dbraw/zinc/23/17/57/1066231757.db2.gz PTQCENSKYDCASI-QFBILLFUSA-N 0 0 491.352 4.966 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(OC)C2)O1 ZINC001546057226 1066231841 /nfs/dbraw/zinc/23/18/41/1066231841.db2.gz OVNOYPWGEPIDIP-SQJMNOBHSA-N 0 0 456.631 4.727 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546057287 1066232043 /nfs/dbraw/zinc/23/20/43/1066232043.db2.gz PSPWCORYCUGNSE-AJTFRIOCSA-N 0 0 480.657 4.808 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001442856985 1066232027 /nfs/dbraw/zinc/23/20/27/1066232027.db2.gz PKMLYMFOSOIQBU-CQSZACIVSA-N 0 0 453.461 4.656 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCO[C@@H]2CCOC2)c1 ZINC001361028499 1066233146 /nfs/dbraw/zinc/23/31/46/1066233146.db2.gz JZUXZSJCFWTLMV-FCHUYYIVSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028524 1066233275 /nfs/dbraw/zinc/23/32/75/1066233275.db2.gz KETVUQDRTBPXTD-QFQXNSOFSA-N 0 0 456.631 4.684 20 0 JJADRN O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454009289 1066233409 /nfs/dbraw/zinc/23/34/09/1066233409.db2.gz AASMKKFZLSRHDE-HXUWFJFHSA-N 0 0 451.489 4.651 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1-c1ccccn1 ZINC001442865912 1066233805 /nfs/dbraw/zinc/23/38/05/1066233805.db2.gz SAKHEEWTAQFVEK-FQEVSTJZSA-N 0 0 458.562 4.740 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001454010940 1066233972 /nfs/dbraw/zinc/23/39/72/1066233972.db2.gz NISZDRLIGBZHCM-ZDUSSCGKSA-N 0 0 457.518 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454009457 1066234035 /nfs/dbraw/zinc/23/40/35/1066234035.db2.gz ALLOJVOSMARUCX-VGOFRKELSA-N 0 0 458.505 4.743 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc(-n2cc[nH]c2=O)cc1 ZINC001442867924 1066234503 /nfs/dbraw/zinc/23/45/03/1066234503.db2.gz VPDFAHMOWOHJSN-UHFFFAOYSA-N 0 0 455.337 4.640 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CC=CCO2)c1 ZINC001361028836 1066234750 /nfs/dbraw/zinc/23/47/50/1066234750.db2.gz SJCWUTAHQXQKKC-IBGZPJMESA-N 0 0 450.505 4.598 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CCSC(F)(F)F)c1 ZINC001361028909 1066235384 /nfs/dbraw/zinc/23/53/84/1066235384.db2.gz UVOZCPNNJXUGFA-QFBILLFUSA-N 0 0 470.561 4.731 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361028878 1066235489 /nfs/dbraw/zinc/23/54/89/1066235489.db2.gz UCVVOOCQDAEPTK-IAGOWNOFSA-N 0 0 490.567 4.721 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361028877 1066235522 /nfs/dbraw/zinc/23/55/22/1066235522.db2.gz UCVVOOCQDAEPTK-CALCHBBNSA-N 0 0 490.567 4.721 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001442875362 1066236290 /nfs/dbraw/zinc/23/62/90/1066236290.db2.gz KWLXSXOCTCZSJA-UHFFFAOYSA-N 0 0 455.502 4.769 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2[C@@H]2C[C@H]2C(C)C)c1 ZINC001361029132 1066236752 /nfs/dbraw/zinc/23/67/52/1066236752.db2.gz ZLRZRHDLFNGEGI-MDNKFWRPSA-N 0 0 452.521 4.847 20 0 JJADRN O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2cc3c(cncc3Cl)s2)c1 ZINC001361029282 1066236836 /nfs/dbraw/zinc/23/68/36/1066236836.db2.gz DYDOQSANHMETOE-UHFFFAOYSA-N 0 0 451.939 4.596 20 0 JJADRN O=C(/C=C/Sc1cc(F)ccc1F)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC001361029409 1066236878 /nfs/dbraw/zinc/23/68/78/1066236878.db2.gz ITIXBJQNUSBABC-DHZHZOJOSA-N 0 0 454.502 4.604 20 0 JJADRN Nc1c(Br)cc(Br)cc1C(=O)Nc1cc(-n2cccc2)ccc1F ZINC001442884490 1066236827 /nfs/dbraw/zinc/23/68/27/1066236827.db2.gz VFQFKISDTNYKSZ-UHFFFAOYSA-N 0 0 453.109 4.976 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CC1 ZINC001442884082 1066237130 /nfs/dbraw/zinc/23/71/30/1066237130.db2.gz YHXSHZYJKGJHIZ-UHFFFAOYSA-N 0 0 454.958 4.619 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)O1 ZINC001546056820 1066237530 /nfs/dbraw/zinc/23/75/30/1066237530.db2.gz KDJZENDOMXUPQL-RLWLMLJZSA-N 0 0 475.678 4.662 20 0 JJADRN CO[C@@H](CNC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C)C1CCCC1 ZINC001454029065 1066237618 /nfs/dbraw/zinc/23/76/18/1066237618.db2.gz JELSDCZOHBCYNF-SFHVURJKSA-N 0 0 451.633 4.501 20 0 JJADRN CCCCOCCN(C(=O)c1ccc(C(=O)OC)c(F)c1)c1ccc(Br)cc1 ZINC001361030763 1066237959 /nfs/dbraw/zinc/23/79/59/1066237959.db2.gz XABGPNNYEHRNME-UHFFFAOYSA-N 0 0 452.320 4.838 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001361030699 1066238061 /nfs/dbraw/zinc/23/80/61/1066238061.db2.gz VFKQNXQLYGNBFL-ROMRWMGNSA-N 0 0 458.961 4.802 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001361030472 1066238128 /nfs/dbraw/zinc/23/81/28/1066238128.db2.gz OXOVSIVWQKNBGA-OAHLLOKOSA-N 0 0 458.356 4.756 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC001361030400 1066238161 /nfs/dbraw/zinc/23/81/61/1066238161.db2.gz NAKIQWXTOOENOJ-QGZVFWFLSA-N 0 0 451.544 4.997 20 0 JJADRN Cc1ccccc1C1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCCCC1 ZINC001442908999 1066238532 /nfs/dbraw/zinc/23/85/32/1066238532.db2.gz MVTMWPUOYJHVHW-DEOSSOPVSA-N 0 0 454.636 4.557 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)nc1 ZINC001442905888 1066238859 /nfs/dbraw/zinc/23/88/59/1066238859.db2.gz HQOOIUXGKIYMGF-UHFFFAOYSA-N 0 0 455.555 4.840 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC[C@H]4CCCCO4)CC3)n2CC(F)(F)F)c1 ZINC001361030958 1066238733 /nfs/dbraw/zinc/23/87/33/1066238733.db2.gz BVFUXFHIGXPZHI-HXUWFJFHSA-N 0 0 482.547 4.591 20 0 JJADRN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3cc(Br)c(Br)cc3C2)n1 ZINC001454040583 1066238998 /nfs/dbraw/zinc/23/89/98/1066238998.db2.gz YAQFIEHIBRSOOF-CYBMUJFWSA-N 0 0 455.194 4.561 20 0 JJADRN COCc1nc2sc(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)c(C)c2c(OC)n1 ZINC001442911538 1066239580 /nfs/dbraw/zinc/23/95/80/1066239580.db2.gz SLUMAMLSZMAEAU-JTQLQIEISA-N 0 0 454.379 4.823 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC/C=C\c3ccc(Br)cc3)[nH]n2)c(OC)c1 ZINC001454042143 1066239423 /nfs/dbraw/zinc/23/94/23/1066239423.db2.gz BNNINYRWJWRDLZ-HYXAFXHYSA-N 0 0 456.340 4.690 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)NCC/C=C\c3ccc(Br)cc3)n[nH]2)cc1 ZINC001454042791 1066239571 /nfs/dbraw/zinc/23/95/71/1066239571.db2.gz CQOFJPQYRLSGBA-RQOWECAXSA-N 0 0 457.397 4.854 20 0 JJADRN COC(=O)NC1CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1 ZINC001454041823 1066239611 /nfs/dbraw/zinc/23/96/11/1066239611.db2.gz OYKSYHCCACBJJG-UHFFFAOYSA-N 0 0 453.970 4.623 20 0 JJADRN CCC[C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1)OCC ZINC001454041045 1066239770 /nfs/dbraw/zinc/23/97/70/1066239770.db2.gz FVNXLCXQWMHINA-DYESRHJHSA-N 0 0 457.409 4.510 20 0 JJADRN O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1cnc(-c2ccccc2Br)s1 ZINC001454041851 1066239784 /nfs/dbraw/zinc/23/97/84/1066239784.db2.gz LPBBGQJNUAWPOH-SFHVURJKSA-N 0 0 458.381 4.601 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CCOC(C)C)c1 ZINC001361031128 1066240158 /nfs/dbraw/zinc/24/01/58/1066240158.db2.gz ILNHJSVONVKETH-UHFFFAOYSA-N 0 0 473.021 4.590 20 0 JJADRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2cc(Br)ccc2C1 ZINC001454049438 1066240198 /nfs/dbraw/zinc/24/01/98/1066240198.db2.gz SFUHCARINIMRND-HOTGVXAUSA-N 0 0 456.258 4.872 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)O1 ZINC001546057474 1066240277 /nfs/dbraw/zinc/24/02/77/1066240277.db2.gz SIWXROFWOJKJOC-REWPJTCUSA-N 0 0 461.582 4.896 20 0 JJADRN O=C(N1CCOc2cc(Br)ccc2C1)C1(c2ccccc2Br)CC1 ZINC001454047002 1066240330 /nfs/dbraw/zinc/24/03/30/1066240330.db2.gz NUSMGFFAHMEGKJ-UHFFFAOYSA-N 0 0 451.158 4.664 20 0 JJADRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2cc(Br)ccc2C1 ZINC001454049435 1066240364 /nfs/dbraw/zinc/24/03/64/1066240364.db2.gz SFUHCARINIMRND-CVEARBPZSA-N 0 0 456.258 4.872 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2cnn(C)c2)O1 ZINC001546057489 1066240487 /nfs/dbraw/zinc/24/04/87/1066240487.db2.gz SPONLLMRJUWARH-IIBYNOLFSA-N 0 0 465.385 4.989 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C)c(Br)c2C)CC1)c1ccccc1 ZINC001442916925 1066240355 /nfs/dbraw/zinc/24/03/55/1066240355.db2.gz BLHJLHQPZORHJS-HXUWFJFHSA-N 0 0 457.412 4.981 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361031248 1066240816 /nfs/dbraw/zinc/24/08/16/1066240816.db2.gz MFEQNJZFHMSBFZ-IBGZPJMESA-N 0 0 461.404 4.532 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC[C@@H]2CCCO2)c1 ZINC001361031164 1066240884 /nfs/dbraw/zinc/24/08/84/1066240884.db2.gz JLKJUDQFWAVOND-SFTDATJTSA-N 0 0 496.574 4.838 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2cc(Br)ccc2C1 ZINC001454049443 1066241095 /nfs/dbraw/zinc/24/10/95/1066241095.db2.gz SFUHCARINIMRND-HZPDHXFCSA-N 0 0 456.258 4.872 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC001454063199 1066242006 /nfs/dbraw/zinc/24/20/06/1066242006.db2.gz UFALVRLJKRYGBV-RUZDIDTESA-N 0 0 452.551 4.990 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)CCCSc2ccc(OC)cc2)CC1)c1ccccc1 ZINC001442927862 1066242369 /nfs/dbraw/zinc/24/23/69/1066242369.db2.gz ZZDNNJPFXLVPDI-XMMPIXPASA-N 0 0 454.636 4.869 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001361031712 1066242928 /nfs/dbraw/zinc/24/29/28/1066242928.db2.gz ZNRYJWDIHHDBKD-HXUWFJFHSA-N 0 0 455.628 4.538 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546057720 1066244080 /nfs/dbraw/zinc/24/40/80/1066244080.db2.gz WMBOQTCHIVRPEM-YVXPOVKHSA-N 0 0 478.584 4.941 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)O1 ZINC001546057794 1066244179 /nfs/dbraw/zinc/24/41/79/1066244179.db2.gz XHWHJUNOANFYNS-BVZFJXPGSA-N 0 0 460.594 4.738 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC2=CCCCC2)c1 ZINC001361031975 1066244166 /nfs/dbraw/zinc/24/41/66/1066244166.db2.gz GWARSOPBBYSOFO-XMMPIXPASA-N 0 0 479.669 4.963 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361032027 1066244213 /nfs/dbraw/zinc/24/42/13/1066244213.db2.gz IQQVDMMGZBIBBY-DHIUTWEWSA-N 0 0 495.668 4.545 20 0 JJADRN Cc1noc([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001361032110 1066244850 /nfs/dbraw/zinc/24/48/50/1066244850.db2.gz LQXPOMSPDIXQCH-CUNXSJBXSA-N 0 0 496.656 4.737 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[nH]c3=O)cc2)c1 ZINC001454105234 1066245269 /nfs/dbraw/zinc/24/52/69/1066245269.db2.gz NKCUAOSNDOLGQA-UHFFFAOYSA-N 0 0 455.518 4.876 20 0 JJADRN O=C(Cc1ccc(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1)N1CCc2ccccc21 ZINC001442958206 1066245638 /nfs/dbraw/zinc/24/56/38/1066245638.db2.gz DZRRSXICZRNOHS-QHCPKHFHSA-N 0 0 454.448 4.509 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001442956315 1066245655 /nfs/dbraw/zinc/24/56/55/1066245655.db2.gz IBMQNMWCKHNCRB-ZHRRBRCNSA-N 0 0 455.396 4.992 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001442956308 1066245848 /nfs/dbraw/zinc/24/58/48/1066245848.db2.gz IBMQNMWCKHNCRB-AOMKIAJQSA-N 0 0 455.396 4.992 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCC2(C)CC2)c1 ZINC001361032318 1066246161 /nfs/dbraw/zinc/24/61/61/1066246161.db2.gz QMAKDQXSNCVABV-JOCHJYFZSA-N 0 0 467.658 4.653 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCOc2ncccc2F)c1 ZINC001361032335 1066246285 /nfs/dbraw/zinc/24/62/85/1066246285.db2.gz QRZIBCCVNVAXIP-SFHVURJKSA-N 0 0 453.562 4.713 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361032317 1066246322 /nfs/dbraw/zinc/24/63/22/1066246322.db2.gz QKZAKUKBDRGPTB-HXUWFJFHSA-N 0 0 457.619 4.720 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001546058043 1066246200 /nfs/dbraw/zinc/24/62/00/1066246200.db2.gz AFUDGAGEYQSTNR-IFMALSPDSA-N 0 0 458.002 4.542 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1noc2ccc(Br)cc12)[C@@H](O)c1ccc(Cl)cc1 ZINC001454109909 1066247231 /nfs/dbraw/zinc/24/72/31/1066247231.db2.gz RIIMQMIFLKFGJT-UXHICEINSA-N 0 0 451.748 4.661 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CC(=O)NC2CCCCC2)c1 ZINC001361032781 1066247635 /nfs/dbraw/zinc/24/76/35/1066247635.db2.gz UTYNJKUEYOIOQR-UHFFFAOYSA-N 0 0 453.631 4.693 20 0 JJADRN COC(=O)c1ccccc1CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001442970598 1066247885 /nfs/dbraw/zinc/24/78/85/1066247885.db2.gz ZUPXIPWWMQJUCM-UHFFFAOYSA-N 0 0 457.408 4.664 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001442974456 1066248501 /nfs/dbraw/zinc/24/85/01/1066248501.db2.gz ROZNGUYCCYFEHW-KDOFPFPSSA-N 0 0 459.568 4.699 20 0 JJADRN CC(C)c1ccc2c(c1)sc(C(=O)NCc1ccc([C@]3(C)NC(=O)NC3=O)cc1)c2Cl ZINC001442975020 1066249089 /nfs/dbraw/zinc/24/90/89/1066249089.db2.gz JDUBMAKPSBJBNH-QHCPKHFHSA-N 0 0 455.967 4.663 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@@H]2C)cc1OC ZINC001442976608 1066249729 /nfs/dbraw/zinc/24/97/29/1066249729.db2.gz VXHBSAMVSPTUNI-KRXUUXHPSA-N 0 0 454.615 4.686 20 0 JJADRN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001546058211 1066249833 /nfs/dbraw/zinc/24/98/33/1066249833.db2.gz GTOUMDXCRWLXRJ-STIKNRRDSA-N 0 0 455.423 4.990 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001361033642 1066250119 /nfs/dbraw/zinc/25/01/19/1066250119.db2.gz ZDWVMYRFDUGHJK-HXUWFJFHSA-N 0 0 459.384 4.675 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)n1 ZINC001361034416 1066250328 /nfs/dbraw/zinc/25/03/28/1066250328.db2.gz TTWPQOBMBXFIHJ-FQEVSTJZSA-N 0 0 451.617 4.778 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2ccnn2C)C1)Oc1cccc(F)c1 ZINC001545953390 1066250371 /nfs/dbraw/zinc/25/03/71/1066250371.db2.gz XHTHWBZAGOKYNP-QKNQBKEWSA-N 0 0 454.594 4.906 20 0 JJADRN CCCCN(Cc1ccccc1Cl)C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC001442988015 1066250522 /nfs/dbraw/zinc/25/05/22/1066250522.db2.gz MGBLCPFCYBYWNX-UHFFFAOYSA-N 0 0 451.032 4.763 20 0 JJADRN O=C(Nc1ccc([C@@H]2NC(=O)NC2=O)cc1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001454162784 1066250544 /nfs/dbraw/zinc/25/05/44/1066250544.db2.gz SFQRUIJQJADYDL-IBGZPJMESA-N 0 0 456.285 4.919 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cnn([C@H]2CCCCO2)c1 ZINC001454153155 1066250578 /nfs/dbraw/zinc/25/05/78/1066250578.db2.gz MEKIQOIZGJGRCP-GOSISDBHSA-N 0 0 450.923 4.844 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(c4ncccc4F)CC3)n2CCC(C)(F)F)c1 ZINC001361034687 1066251083 /nfs/dbraw/zinc/25/10/83/1066251083.db2.gz ALNFXAWOFDTUNQ-UHFFFAOYSA-N 0 0 488.558 4.770 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC2CCCCC2)c1 ZINC001361034792 1066251097 /nfs/dbraw/zinc/25/10/97/1066251097.db2.gz DIIYKLWVPAFMBF-UHFFFAOYSA-N 0 0 483.657 4.969 20 0 JJADRN CCCCN(Cc1ccccc1F)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 ZINC001442997913 1066251138 /nfs/dbraw/zinc/25/11/38/1066251138.db2.gz OGDFUWXBCITTDY-UHFFFAOYSA-N 0 0 455.555 4.920 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)C(C)(C)C ZINC001454181992 1066251224 /nfs/dbraw/zinc/25/12/24/1066251224.db2.gz IZJPFVOQQAISKE-NRFANRHFSA-N 0 0 455.574 4.993 20 0 JJADRN COc1cccc(C(C)(C)CNC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001546058511 1066251378 /nfs/dbraw/zinc/25/13/78/1066251378.db2.gz QGQCSCFJTNKXKJ-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCC(C)(C)c2cccc(OC)c2)cc1 ZINC001546058380 1066251411 /nfs/dbraw/zinc/25/14/11/1066251411.db2.gz LTXISFXVLAHMEO-UHFFFAOYSA-N 0 0 450.510 4.803 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001454181978 1066251443 /nfs/dbraw/zinc/25/14/43/1066251443.db2.gz IXZLOHBVWLZGAC-SFHVURJKSA-N 0 0 454.861 4.685 20 0 JJADRN C[C@@H](CC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccc(F)c(Br)c1 ZINC001443007959 1066251916 /nfs/dbraw/zinc/25/19/16/1066251916.db2.gz BIQGCLSWDYQZTL-AWEZNQCLSA-N 0 0 457.384 4.845 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)C1 ZINC001454194902 1066252554 /nfs/dbraw/zinc/25/25/54/1066252554.db2.gz OWZCTFZEHGJDAE-NLWGTHIKSA-N 0 0 458.599 4.932 20 0 JJADRN O=C(c1cc(Cl)sc1Cl)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001454191513 1066252733 /nfs/dbraw/zinc/25/27/33/1066252733.db2.gz PFYLQXULNLJDLL-UHFFFAOYSA-N 0 0 452.285 4.650 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@]2(C)CCCS2)c1 ZINC001361035152 1066253029 /nfs/dbraw/zinc/25/30/29/1066253029.db2.gz RIYSRCYZXBXVMZ-WMZHIEFXSA-N 0 0 497.631 4.832 20 0 JJADRN Cc1cscc1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001361035420 1066253770 /nfs/dbraw/zinc/25/37/70/1066253770.db2.gz DEPXATXBMRXRIE-NRFANRHFSA-N 0 0 481.666 4.585 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC1 ZINC001443018803 1066253987 /nfs/dbraw/zinc/25/39/87/1066253987.db2.gz BEWRAKTXHHSLJM-WKILWMFISA-N 0 0 454.036 4.915 20 0 JJADRN COc1cccc([C@@H](C)CC(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC001443020709 1066254014 /nfs/dbraw/zinc/25/40/14/1066254014.db2.gz FQUIUNMVQPFFRC-IBGZPJMESA-N 0 0 452.576 4.648 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(c2nc(C)no2)CC1)OC ZINC001545953192 1066254814 /nfs/dbraw/zinc/25/48/14/1066254814.db2.gz UZZDCWYAACBRKY-TZIWHRDSSA-N 0 0 482.629 4.709 20 0 JJADRN CC(C)C[C@H]1CCCN1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001443020701 1066254949 /nfs/dbraw/zinc/25/49/49/1066254949.db2.gz UDMDAMFQXMHPLF-LJQANCHMSA-N 0 0 454.596 4.628 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC2CCC(F)(F)CC2)c1 ZINC001361035888 1066255208 /nfs/dbraw/zinc/25/52/08/1066255208.db2.gz RKIICPQQQOWIES-UHFFFAOYSA-N 0 0 483.554 4.687 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001443023690 1066255544 /nfs/dbraw/zinc/25/55/44/1066255544.db2.gz REEGLSHMJYFIBR-UHFFFAOYSA-N 0 0 452.576 4.937 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361037751 1066255832 /nfs/dbraw/zinc/25/58/32/1066255832.db2.gz AJMGAEXBNWAWJI-SGIRGMQISA-N 0 0 470.658 4.929 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc2F)n1 ZINC001443028532 1066256129 /nfs/dbraw/zinc/25/61/29/1066256129.db2.gz CBPXVVDAMPVKKL-OAQYLSRUSA-N 0 0 458.331 4.604 20 0 JJADRN CN(C)[C@@H](C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1cccc(Cl)c1 ZINC001454239174 1066256451 /nfs/dbraw/zinc/25/64/51/1066256451.db2.gz FTNKNCAUKRCGKP-HSZRJFAPSA-N 0 0 454.977 4.879 20 0 JJADRN Cc1nccn1CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001361038251 1066256453 /nfs/dbraw/zinc/25/64/53/1066256453.db2.gz GMFKBMJUQLUJHR-QHCPKHFHSA-N 0 0 468.671 4.647 20 0 JJADRN Cn1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c(-c2cccnc2)n1 ZINC001361037944 1066256503 /nfs/dbraw/zinc/25/65/03/1066256503.db2.gz RYFNFKCZBJXTKG-UHFFFAOYSA-N 0 0 453.384 4.877 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361037922 1066256606 /nfs/dbraw/zinc/25/66/06/1066256606.db2.gz CGFXNLBRSQTXJL-CPJSRVTESA-N 0 0 458.672 4.747 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)OC ZINC001545953584 1066256789 /nfs/dbraw/zinc/25/67/89/1066256789.db2.gz ZXBQMHULMRRDMC-MISYRCLQSA-N 0 0 483.579 4.533 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545953567 1066256898 /nfs/dbraw/zinc/25/68/98/1066256898.db2.gz ZUEHNVAAMKZNRV-HSALFYBXSA-N 0 0 488.652 4.949 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001454240859 1066256965 /nfs/dbraw/zinc/25/69/65/1066256965.db2.gz MSAXJENTFJMTMD-QGZVFWFLSA-N 0 0 458.578 4.568 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCCC(C)(C)C)c1 ZINC001361038271 1066257021 /nfs/dbraw/zinc/25/70/21/1066257021.db2.gz GYVQTORMEVSDEJ-QHCPKHFHSA-N 0 0 466.630 4.612 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccccc1 ZINC001443041643 1066257463 /nfs/dbraw/zinc/25/74/63/1066257463.db2.gz DQZGCRDSNDNKKM-MRXNPFEDSA-N 0 0 457.530 4.686 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cccc(Br)c2F)cc1OC ZINC001454245535 1066257551 /nfs/dbraw/zinc/25/75/51/1066257551.db2.gz FRKUJGNOHRFXMD-UHFFFAOYSA-N 0 0 453.308 4.842 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001443043492 1066258038 /nfs/dbraw/zinc/25/80/38/1066258038.db2.gz LZXNBVLPMORXBX-ROUUACIJSA-N 0 0 455.986 4.683 20 0 JJADRN Cc1cc(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 ZINC001443046548 1066258437 /nfs/dbraw/zinc/25/84/37/1066258437.db2.gz NJRPZALWWULEMT-UHFFFAOYSA-N 0 0 459.362 4.673 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cs1 ZINC001454255681 1066258270 /nfs/dbraw/zinc/25/82/70/1066258270.db2.gz OBDFZUSKOBHYGI-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361038882 1066258613 /nfs/dbraw/zinc/25/86/13/1066258613.db2.gz RMLRRMUZNZAEJH-JOCHJYFZSA-N 0 0 499.681 4.732 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)ccc1Br ZINC001443053134 1066259101 /nfs/dbraw/zinc/25/91/01/1066259101.db2.gz YTIZRTFMWXNYGV-SXGWCWSVSA-N 0 0 459.237 4.842 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC2CCOCC2)c1 ZINC001361038964 1066259006 /nfs/dbraw/zinc/25/90/06/1066259006.db2.gz UHCBJZTVGBFGSS-OAQYLSRUSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361039174 1066259894 /nfs/dbraw/zinc/25/98/94/1066259894.db2.gz ZHRDXYUSTFKXBM-DEOSSOPVSA-N 0 0 499.725 4.844 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC[C@H]2C)s1 ZINC001361039293 1066260367 /nfs/dbraw/zinc/26/03/67/1066260367.db2.gz DBNZTWRAPBIVCX-QGZVFWFLSA-N 0 0 457.669 4.732 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC(=O)N2CCCCCC2)c1 ZINC001361039400 1066260553 /nfs/dbraw/zinc/26/05/53/1066260553.db2.gz GMGJWPRSXRMCQO-FCHUYYIVSA-N 0 0 485.698 4.597 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361039371 1066260575 /nfs/dbraw/zinc/26/05/75/1066260575.db2.gz FXGPESIBNHBOGH-QUCCMNQESA-N 0 0 475.609 4.571 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361039377 1066260623 /nfs/dbraw/zinc/26/06/23/1066260623.db2.gz GBTJXNYQNKWFAD-BAGYTPMASA-N 0 0 489.636 4.817 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)NC3(CNC(=O)OC(C)(C)C)CCCCC3)C2=O)cc1 ZINC001454267676 1066260814 /nfs/dbraw/zinc/26/08/14/1066260814.db2.gz RUHJHXGNPLFCNM-NRFANRHFSA-N 0 0 457.615 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 ZINC001443059141 1066260968 /nfs/dbraw/zinc/26/09/68/1066260968.db2.gz HLGJVSKEYFKRKK-JXFKEZNVSA-N 0 0 454.970 4.806 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC(=O)N2CCCCCC2)c1 ZINC001361039403 1066261135 /nfs/dbraw/zinc/26/11/35/1066261135.db2.gz GMGJWPRSXRMCQO-YADHBBJMSA-N 0 0 485.698 4.597 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001443058400 1066261160 /nfs/dbraw/zinc/26/11/60/1066261160.db2.gz YEZRKBDIXJIDCW-QZTJIDSGSA-N 0 0 451.567 4.904 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546059131 1066261104 /nfs/dbraw/zinc/26/11/04/1066261104.db2.gz FNUHZCJYZCUIEZ-DQCZWYHMSA-N 0 0 496.700 4.661 20 0 JJADRN CC[C@@H](NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)c1nc2ccccc2[nH]1 ZINC001443061647 1066261751 /nfs/dbraw/zinc/26/17/51/1066261751.db2.gz MVWYXKIWGZMNAV-XTDPEOHPSA-N 0 0 458.628 4.699 20 0 JJADRN COc1cccc(N2CC[C@@H](NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC001443064455 1066261840 /nfs/dbraw/zinc/26/18/40/1066261840.db2.gz KHMKGNLQVIRNRV-GOSISDBHSA-N 0 0 456.468 4.861 20 0 JJADRN COc1cc(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)ccc1OCc1cscn1 ZINC001454270562 1066262196 /nfs/dbraw/zinc/26/21/96/1066262196.db2.gz ZJILTAAJTSLEGH-UHFFFAOYSA-N 0 0 456.520 4.644 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)n1 ZINC001361039766 1066262282 /nfs/dbraw/zinc/26/22/82/1066262282.db2.gz TYKQZTGSVUXBTE-VXKWHMMOSA-N 0 0 468.671 4.708 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)O1 ZINC001546059286 1066262907 /nfs/dbraw/zinc/26/29/07/1066262907.db2.gz HTQZDCHGMXITHJ-KGVIQGDOSA-N 0 0 451.036 4.797 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N(C)C3CCC(NC(=O)OC(C)(C)C)CC3)c2)c1C ZINC001361040368 1066262963 /nfs/dbraw/zinc/26/29/63/1066262963.db2.gz TZHJQABZPOOOKV-UHFFFAOYSA-N 0 0 454.615 4.959 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059230 1066263093 /nfs/dbraw/zinc/26/30/93/1066263093.db2.gz GVZPKAQUJAWYDX-OFVILXPXSA-N 0 0 460.066 4.899 20 0 JJADRN NS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)ccc1Cl ZINC001443077761 1066263096 /nfs/dbraw/zinc/26/30/96/1066263096.db2.gz UYEZBZLSNCTUMO-LJQANCHMSA-N 0 0 455.407 4.562 20 0 JJADRN CN(C(=O)CSc1ccccc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361040506 1066263194 /nfs/dbraw/zinc/26/31/94/1066263194.db2.gz ZMNXCQCTVPKZHH-UHFFFAOYSA-N 0 0 457.434 4.836 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001443073117 1066263283 /nfs/dbraw/zinc/26/32/83/1066263283.db2.gz MSMJUYNLXUEGBE-QFQXNSOFSA-N 0 0 457.615 4.792 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001361040896 1066263548 /nfs/dbraw/zinc/26/35/48/1066263548.db2.gz KQILGNYXJICHJC-CQSZACIVSA-N 0 0 450.992 4.851 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)O1 ZINC001546059288 1066263827 /nfs/dbraw/zinc/26/38/27/1066263827.db2.gz HTQZDCHGMXITHJ-NPPFBWRTSA-N 0 0 451.036 4.797 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@@H]2C)c1 ZINC001361041568 1066264165 /nfs/dbraw/zinc/26/41/65/1066264165.db2.gz CNNPXRUSYNZTFM-KRWDZBQOSA-N 0 0 488.430 4.735 20 0 JJADRN Cc1cc2c(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)n[nH]c2c(Br)c1 ZINC001454279730 1066264184 /nfs/dbraw/zinc/26/41/84/1066264184.db2.gz KPUNLJTVXDAVAU-CQSZACIVSA-N 0 0 456.344 4.516 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2c(C)noc2C)C1 ZINC001546059332 1066264245 /nfs/dbraw/zinc/26/42/45/1066264245.db2.gz INOJLDHNMSTBSH-VWLOTQADSA-N 0 0 450.587 4.621 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC001443087796 1066264549 /nfs/dbraw/zinc/26/45/49/1066264549.db2.gz OETFMOLGDBHBBS-MRXNPFEDSA-N 0 0 459.566 4.785 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1 ZINC001443088715 1066264655 /nfs/dbraw/zinc/26/46/55/1066264655.db2.gz JNWTWWOBNNUVMK-LJQANCHMSA-N 0 0 456.543 4.942 20 0 JJADRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC001443086580 1066264733 /nfs/dbraw/zinc/26/47/33/1066264733.db2.gz LUFZSVVSPJBMRI-QGZVFWFLSA-N 0 0 458.967 4.705 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361041950 1066264856 /nfs/dbraw/zinc/26/48/56/1066264856.db2.gz OHYACIQYIORIGH-GGAORHGYSA-N 0 0 499.656 4.709 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454287421 1066264825 /nfs/dbraw/zinc/26/48/25/1066264825.db2.gz XBJROLFVCBWHDY-LEWJYISDSA-N 0 0 458.599 4.541 20 0 JJADRN Cc1nc(CS(C)(=O)=O)sc1CC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C ZINC001443091791 1066265264 /nfs/dbraw/zinc/26/52/64/1066265264.db2.gz ZJYQPAZQXCQVFZ-KRWDZBQOSA-N 0 0 458.605 4.626 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546059449 1066265547 /nfs/dbraw/zinc/26/55/47/1066265547.db2.gz KIWOPWGXHHOQHB-BYXPDZEBSA-N 0 0 487.645 4.934 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001454290501 1066265662 /nfs/dbraw/zinc/26/56/62/1066265662.db2.gz OUELRSFHBWKQGV-WKILWMFISA-N 0 0 450.942 4.539 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC001443094475 1066266120 /nfs/dbraw/zinc/26/61/20/1066266120.db2.gz VTTAOJLKEWCCNF-UHFFFAOYSA-N 0 0 457.530 4.880 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361042237 1066266237 /nfs/dbraw/zinc/26/62/37/1066266237.db2.gz XCLGGPAOSBSZHI-GMAHTHKFSA-N 0 0 499.656 4.661 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)c(O)c1C ZINC001443097217 1066266768 /nfs/dbraw/zinc/26/67/68/1066266768.db2.gz IAGJXDZEORIEDF-UHFFFAOYSA-N 0 0 457.290 4.753 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361042656 1066266816 /nfs/dbraw/zinc/26/68/16/1066266816.db2.gz LOAHKWGTLKYBFO-QFIPXVFZSA-N 0 0 483.657 4.810 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCCN(c4ncccc4F)CC3)nnc2C(C)(C)C)c1 ZINC001361042710 1066266826 /nfs/dbraw/zinc/26/68/26/1066266826.db2.gz NEDFKBVEUYJFNN-UHFFFAOYSA-N 0 0 466.605 4.522 20 0 JJADRN COc1ccccc1C[C@@](C)(CO)NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001454301229 1066266860 /nfs/dbraw/zinc/26/68/60/1066266860.db2.gz FIPZHXDLMWYCDJ-QHCPKHFHSA-N 0 0 453.589 4.834 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Nc3cnn(C)c3)nnc2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361042640 1066266912 /nfs/dbraw/zinc/26/69/12/1066266912.db2.gz KWZWCFRIPWYCTP-HXUWFJFHSA-N 0 0 495.628 4.566 20 0 JJADRN O=C(Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccc(Oc2ccccc2)o1 ZINC001454302852 1066267168 /nfs/dbraw/zinc/26/71/68/1066267168.db2.gz RQJAFLLNYAVSDS-OAHLLOKOSA-N 0 0 457.324 4.905 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361042970 1066267459 /nfs/dbraw/zinc/26/74/59/1066267459.db2.gz WYOUQTYZEYMFRS-JTHBVZDNSA-N 0 0 499.656 4.567 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCN(C(=O)CC4CCCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001361042838 1066267504 /nfs/dbraw/zinc/26/75/04/1066267504.db2.gz RQAVPGPGHJVNBF-UHFFFAOYSA-N 0 0 481.685 4.890 20 0 JJADRN O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001443100290 1066268250 /nfs/dbraw/zinc/26/82/50/1066268250.db2.gz RRVBGJAQBFOIKD-MRXNPFEDSA-N 0 0 450.201 4.960 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)O1 ZINC001546059679 1066268897 /nfs/dbraw/zinc/26/88/97/1066268897.db2.gz OBWBBDVNLJRZAB-NTKDMRAZSA-N 0 0 492.089 4.663 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCC1(F)F ZINC001454325867 1066270196 /nfs/dbraw/zinc/27/01/96/1066270196.db2.gz IIKVGONQASYZIX-INIZCTEOSA-N 0 0 458.383 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cncc2-c2ccccc2)CC[C@H]2CCCC[C@@H]21 ZINC001454327509 1066270270 /nfs/dbraw/zinc/27/02/70/1066270270.db2.gz KLHVTCNSUHULOD-FSSWDIPSSA-N 0 0 452.599 4.625 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545954563 1066271072 /nfs/dbraw/zinc/27/10/72/1066271072.db2.gz GZEMGDREVMGIQZ-KSEOMHKRSA-N 0 0 471.646 4.596 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)(F)C(F)F)C1 ZINC001546060043 1066271769 /nfs/dbraw/zinc/27/17/69/1066271769.db2.gz URWWHKIEOIDBOK-JOCHJYFZSA-N 0 0 485.526 4.691 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CCNC(=O)C(C)(C)C)c2ccccc2n1 ZINC001361045738 1066271912 /nfs/dbraw/zinc/27/19/12/1066271912.db2.gz HZMRCMXKJITIOJ-KRWDZBQOSA-N 0 0 491.665 4.660 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCC(NC(=O)Oc4ccccc4)CC3)oc21 ZINC001443126609 1066271843 /nfs/dbraw/zinc/27/18/43/1066271843.db2.gz VFRHPMHPNUCSFA-UHFFFAOYSA-N 0 0 457.324 4.897 20 0 JJADRN C[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001443138464 1066272193 /nfs/dbraw/zinc/27/21/93/1066272193.db2.gz KZMSOUDWLFCNGB-RTBURBONSA-N 0 0 452.576 4.568 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001454341322 1066272296 /nfs/dbraw/zinc/27/22/96/1066272296.db2.gz XYZGYKIMUKAXCS-ZJSXRUAMSA-N 0 0 455.396 4.734 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCN[C@@H](c4ccc(O)cc4)C3)cc2c1 ZINC001454340715 1066272368 /nfs/dbraw/zinc/27/23/68/1066272368.db2.gz WPKWWGMQPNLCJT-LJQANCHMSA-N 0 0 453.564 4.741 20 0 JJADRN COc1ccc(CNC(=O)/C=C/C(=O)N(Cc2cccs2)Cc2ccc3[nH]ccc3c2)cc1 ZINC001454341391 1066272553 /nfs/dbraw/zinc/27/25/53/1066272553.db2.gz LKTCWGOMDOLBOJ-ZHACJKMWSA-N 0 0 459.571 4.639 20 0 JJADRN C[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001443138438 1066272445 /nfs/dbraw/zinc/27/24/45/1066272445.db2.gz KZMSOUDWLFCNGB-MOPGFXCFSA-N 0 0 452.576 4.568 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CCN(C)c3ccccc3C2)cs1 ZINC001443151443 1066273758 /nfs/dbraw/zinc/27/37/58/1066273758.db2.gz ACTZVYZIPSENHN-UHFFFAOYSA-N 0 0 458.381 4.673 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)O1 ZINC001546060371 1066274596 /nfs/dbraw/zinc/27/45/96/1066274596.db2.gz ZCBNSPGJDGYLCH-HRAATJIYSA-N 0 0 475.391 4.541 20 0 JJADRN COc1cccc(-c2nc(C)c(C(=O)NCc3cccc(C(=O)OCc4ccccc4)c3)[nH]2)c1 ZINC001443155999 1066275188 /nfs/dbraw/zinc/27/51/88/1066275188.db2.gz GDAGDJZZSKVJHY-UHFFFAOYSA-N 0 0 455.514 4.681 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443155232 1066275223 /nfs/dbraw/zinc/27/52/23/1066275223.db2.gz RRDPEPNEOGMBEH-QIENPNARSA-N 0 0 453.377 4.990 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)N1CCOc2cc(F)ccc2C1)C1CCCCC1 ZINC001454358882 1066275246 /nfs/dbraw/zinc/27/52/46/1066275246.db2.gz BCFCMCGBGSNSSI-UHFFFAOYSA-N 0 0 456.583 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@@]2(C)C1 ZINC001454360697 1066275315 /nfs/dbraw/zinc/27/53/15/1066275315.db2.gz VPLZUXGHRFVEKB-MKPDMIMOSA-N 0 0 454.611 4.634 20 0 JJADRN O=C(c1[nH]c2ccccc2c1Cl)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001546060508 1066275400 /nfs/dbraw/zinc/27/54/00/1066275400.db2.gz BHVBCTDVEYBFPX-UHFFFAOYSA-N 0 0 450.739 4.681 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3C)cc2)n1 ZINC001454368963 1066275880 /nfs/dbraw/zinc/27/58/80/1066275880.db2.gz FJOXXDSJDOHBIG-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)no1 ZINC001361046663 1066275817 /nfs/dbraw/zinc/27/58/17/1066275817.db2.gz JGZAUVZDXVZKMX-MRXNPFEDSA-N 0 0 451.310 4.873 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001546060603 1066275961 /nfs/dbraw/zinc/27/59/61/1066275961.db2.gz DKNIYOWFFORCRX-HNNXBMFYSA-N 0 0 451.832 4.922 20 0 JJADRN O=C(c1ccc(Cl)c(I)c1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001361046990 1066276406 /nfs/dbraw/zinc/27/64/06/1066276406.db2.gz QNLQHVDZHYHFNH-CQSZACIVSA-N 0 0 457.699 4.572 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001361047447 1066276446 /nfs/dbraw/zinc/27/64/46/1066276446.db2.gz BKCQNPUJEPKQHP-SFHVURJKSA-N 0 0 452.324 4.915 20 0 JJADRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001361047554 1066276471 /nfs/dbraw/zinc/27/64/71/1066276471.db2.gz FJNBMXCYPRCUIW-SQGPQFPESA-N 0 0 451.380 4.525 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)no1 ZINC001361046728 1066276517 /nfs/dbraw/zinc/27/65/17/1066276517.db2.gz KYBFOISPMYOKKZ-KRWDZBQOSA-N 0 0 456.593 4.792 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2ccc(-c3cscn3)cc2)CC1 ZINC001361048179 1066277229 /nfs/dbraw/zinc/27/72/29/1066277229.db2.gz RUMWBDJBZNMGTE-UHFFFAOYSA-N 0 0 456.951 4.930 20 0 JJADRN CCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC001443196615 1066278544 /nfs/dbraw/zinc/27/85/44/1066278544.db2.gz BPLFANRWQNXJMU-UHFFFAOYSA-N 0 0 458.961 4.769 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)N1CC(Cc2cccc(Br)c2)C1 ZINC001454405167 1066279011 /nfs/dbraw/zinc/27/90/11/1066279011.db2.gz VHGGFBYHIRAJLS-UHFFFAOYSA-N 0 0 457.393 4.728 20 0 JJADRN Cc1cc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCC(=O)NC(C)C)c2ccccc2n1 ZINC001361048851 1066279164 /nfs/dbraw/zinc/27/91/64/1066279164.db2.gz LALNENLHWHAQAL-UHFFFAOYSA-N 0 0 488.558 4.885 20 0 JJADRN Cc1cc(NC(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443204804 1066279200 /nfs/dbraw/zinc/27/92/00/1066279200.db2.gz LNRZIDAEBSQAGK-UHFFFAOYSA-N 0 0 450.461 4.705 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2cccc(CN3CCOCC3)c2)n(-c2cccc(Cl)c2)n1 ZINC001443204382 1066279227 /nfs/dbraw/zinc/27/92/27/1066279227.db2.gz MVBUMVDYRRRZOL-UHFFFAOYSA-N 0 0 452.986 4.908 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049173 1066280875 /nfs/dbraw/zinc/28/08/75/1066280875.db2.gz VNMBBHRPSVZKRP-LJQANCHMSA-N 0 0 494.640 4.720 20 0 JJADRN CCc1cc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)ccc1Br ZINC001443212291 1066280922 /nfs/dbraw/zinc/28/09/22/1066280922.db2.gz WQSGKGIXUZFEBW-UHFFFAOYSA-N 0 0 453.340 4.981 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2Br)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001443211803 1066280933 /nfs/dbraw/zinc/28/09/33/1066280933.db2.gz ZIYAFRADQBQMGG-RUAJRXAUSA-N 0 0 451.320 4.617 20 0 JJADRN O=C(CSc1cc(Cl)ccc1Cl)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454420579 1066280879 /nfs/dbraw/zinc/28/08/79/1066280879.db2.gz FTJQYEOZHACRGA-UHFFFAOYSA-N 0 0 451.144 4.986 20 0 JJADRN CC(C)(C(=O)NCC(=O)c1ccc(Br)c(F)c1)c1ccccc1Br ZINC001454429295 1066281494 /nfs/dbraw/zinc/28/14/94/1066281494.db2.gz XYTBOOBDZOZEKK-UHFFFAOYSA-N 0 0 457.137 4.627 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545955635 1066282167 /nfs/dbraw/zinc/28/21/67/1066282167.db2.gz YPBOVWKNIPYYIO-KBAYOESNSA-N 0 0 452.521 4.854 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545955634 1066282233 /nfs/dbraw/zinc/28/22/33/1066282233.db2.gz YPBOVWKNIPYYIO-JQHSSLGASA-N 0 0 452.521 4.854 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454438452 1066282227 /nfs/dbraw/zinc/28/22/27/1066282227.db2.gz ZXUQAEHCCXIZBD-WZONZLPQSA-N 0 0 458.961 4.783 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)C1 ZINC001546061605 1066282332 /nfs/dbraw/zinc/28/23/32/1066282332.db2.gz CEVZLSRDUNLZPW-WAIKUNEKSA-N 0 0 458.607 4.976 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1 ZINC001443220737 1066282379 /nfs/dbraw/zinc/28/23/79/1066282379.db2.gz XMOKKKCMTIYJOI-UHFFFAOYSA-N 0 0 459.377 4.904 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC(=O)NC(C)C)c2ccccc2n1 ZINC001361049583 1066282495 /nfs/dbraw/zinc/28/24/95/1066282495.db2.gz JMXPLNZQUCXRJQ-FQEVSTJZSA-N 0 0 478.641 4.500 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361049609 1066282710 /nfs/dbraw/zinc/28/27/10/1066282710.db2.gz KHFVMODLNWOCKE-OAHLLOKOSA-N 0 0 465.495 4.955 20 0 JJADRN CC[C@@H](C(=O)N1CCN(Cc2cccc3cccnc32)CC1)c1ccc(Br)cc1 ZINC001454450468 1066283498 /nfs/dbraw/zinc/28/34/98/1066283498.db2.gz OVULUMDHUXKDQO-JOCHJYFZSA-N 0 0 452.396 4.835 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NC1(c2ccc(Br)cc2)CCCC1)CC1CC1 ZINC001443239941 1066283413 /nfs/dbraw/zinc/28/34/13/1066283413.db2.gz LOCRLWIQZDZRKN-UHFFFAOYSA-N 0 0 451.405 4.982 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)cc1 ZINC001443241935 1066283653 /nfs/dbraw/zinc/28/36/53/1066283653.db2.gz PKAUKLPDUCZSBR-UHFFFAOYSA-N 0 0 455.440 4.910 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC(F)(F)F)c2ccccc2n1 ZINC001361049818 1066283627 /nfs/dbraw/zinc/28/36/27/1066283627.db2.gz PIUBMBPOHXNTER-MRXNPFEDSA-N 0 0 490.530 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001454457553 1066284528 /nfs/dbraw/zinc/28/45/28/1066284528.db2.gz MILSKURIVXXBMT-TYPHKJRUSA-N 0 0 456.489 4.819 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1C ZINC001443257773 1066284924 /nfs/dbraw/zinc/28/49/24/1066284924.db2.gz VOXXYXVMHQQPCH-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Nc3nccs3)cc2F)c(C)c1 ZINC001443258420 1066285129 /nfs/dbraw/zinc/28/51/29/1066285129.db2.gz VZZXENSGRVNPSY-IBGZPJMESA-N 0 0 456.568 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001454459581 1066284994 /nfs/dbraw/zinc/28/49/94/1066284994.db2.gz GWZZURMSHLWABP-LSTHTHJFSA-N 0 0 458.990 4.884 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1C(F)F ZINC001454458785 1066285048 /nfs/dbraw/zinc/28/50/48/1066285048.db2.gz DOJCHDZCCGOWIW-OLMNPRSZSA-N 0 0 454.562 4.631 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 ZINC001443256424 1066285226 /nfs/dbraw/zinc/28/52/26/1066285226.db2.gz MJYHTFJEWISOIN-UHFFFAOYSA-N 0 0 454.600 4.811 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1 ZINC001454461596 1066285998 /nfs/dbraw/zinc/28/59/98/1066285998.db2.gz IFDPPYPSJXRQGC-ZCNNSNEGSA-N 0 0 458.599 4.796 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1 ZINC001454461591 1066286010 /nfs/dbraw/zinc/28/60/10/1066286010.db2.gz IFDPPYPSJXRQGC-XUVXKRRUSA-N 0 0 458.599 4.796 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454465853 1066286703 /nfs/dbraw/zinc/28/67/03/1066286703.db2.gz SKQWOGBSIZXWSO-IFMALSPDSA-N 0 0 454.542 4.512 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCc2cnc3ccccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051778 1066286578 /nfs/dbraw/zinc/28/65/78/1066286578.db2.gz ZWQIPSQGSZEQKP-MHZLTWQESA-N 0 0 458.583 4.785 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cccc(C(F)(F)F)n2)no1 ZINC001361051866 1066286927 /nfs/dbraw/zinc/28/69/27/1066286927.db2.gz DCOGQQFDGPWYPF-UHFFFAOYSA-N 0 0 499.497 4.542 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361051869 1066287198 /nfs/dbraw/zinc/28/71/98/1066287198.db2.gz DIKWSDDZUXQQNG-MSOLQXFVSA-N 0 0 482.654 4.657 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC2CCCC2)C1 ZINC001546061981 1066287276 /nfs/dbraw/zinc/28/72/76/1066287276.db2.gz IHHTUYXEJPZABJ-RUZDIDTESA-N 0 0 474.049 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NC3(c4c(F)cccc4F)CCC3)ccc2C1 ZINC001454470620 1066288011 /nfs/dbraw/zinc/28/80/11/1066288011.db2.gz MGTCSIDCGFMTSJ-UHFFFAOYSA-N 0 0 458.505 4.904 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1cccc(Cl)c1 ZINC001454474898 1066288468 /nfs/dbraw/zinc/28/84/68/1066288468.db2.gz VLTDOMRBRNXMCN-OAQYLSRUSA-N 0 0 452.904 4.969 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2c[nH]nc2C)no1 ZINC001361053427 1066288797 /nfs/dbraw/zinc/28/87/97/1066288797.db2.gz IOIGCCMYUMEOQS-KRWDZBQOSA-N 0 0 469.977 4.669 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)CCOCC2)cc1 ZINC001454475744 1066289124 /nfs/dbraw/zinc/28/91/24/1066289124.db2.gz TYGBJPMDTKFUGF-VSKRKVRLSA-N 0 0 456.627 4.584 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC001443284557 1066289296 /nfs/dbraw/zinc/28/92/96/1066289296.db2.gz JYIVVPBNSDYJRS-UHFFFAOYSA-N 0 0 454.911 4.978 20 0 JJADRN CCc1ccc(C2CCN(C(=O)c3cc(F)cc(I)c3N)CC2)cc1 ZINC001454477401 1066289760 /nfs/dbraw/zinc/28/97/60/1066289760.db2.gz ULMSDBNRJXQRKK-UHFFFAOYSA-N 0 0 452.311 4.595 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3-c3ccccc3Cl)CCN2)c1 ZINC001454479539 1066289835 /nfs/dbraw/zinc/28/98/35/1066289835.db2.gz VVOPACCKYQBXQM-QFIPXVFZSA-N 0 0 452.986 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC001454478704 1066289862 /nfs/dbraw/zinc/28/98/62/1066289862.db2.gz YCNDFIBNZRQHNC-UIAACRFSSA-N 0 0 458.990 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3-c3ccccc3Cl)C(C)(C)[C@@H]21 ZINC001454478698 1066289984 /nfs/dbraw/zinc/28/99/84/1066289984.db2.gz YCNDFIBNZRQHNC-CDHQVMDDSA-N 0 0 458.990 4.884 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnc(C)s2)no1 ZINC001361054041 1066290181 /nfs/dbraw/zinc/29/01/81/1066290181.db2.gz ZKBUBEBAAWIPDS-AWEZNQCLSA-N 0 0 458.975 4.818 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001361054443 1066290263 /nfs/dbraw/zinc/29/02/63/1066290263.db2.gz QDFHZANXEDUIJN-UHFFFAOYSA-N 0 0 457.592 4.686 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2Cl)no1 ZINC001361054712 1066290785 /nfs/dbraw/zinc/29/07/85/1066290785.db2.gz CFMMDNWJIMGOHQ-UHFFFAOYSA-N 0 0 491.777 4.701 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCc2cn[nH]c2)c1 ZINC001361054751 1066290888 /nfs/dbraw/zinc/29/08/88/1066290888.db2.gz DPONTVBTKHPXGM-UHFFFAOYSA-N 0 0 457.401 4.680 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC001454488003 1066291271 /nfs/dbraw/zinc/29/12/71/1066291271.db2.gz DBPOFKUMJMXIGT-NHCUHLMSSA-N 0 0 473.411 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H](CCO)c3cc(Cl)cc(Cl)c3)CCC[C@H]12 ZINC001454487675 1066291522 /nfs/dbraw/zinc/29/15/22/1066291522.db2.gz IYVVSGJWHGRRDF-KGVIQGDOSA-N 0 0 457.398 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N=c2sccn2Cc2cccc3ccccc32)C1 ZINC001443299833 1066291916 /nfs/dbraw/zinc/29/19/16/1066291916.db2.gz XMWGTVPFHDITRB-DEOSSOPVSA-N 0 0 455.555 4.528 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N=c2sccn2Cc2ccccc2Cl)C1(C)C ZINC001443298452 1066291937 /nfs/dbraw/zinc/29/19/37/1066291937.db2.gz XBFISIYMVQLZOZ-RDJZCZTQSA-N 0 0 450.004 4.618 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2C)C1)OC ZINC001545956792 1066291999 /nfs/dbraw/zinc/29/19/99/1066291999.db2.gz JDJXBNUONPXUMC-MJGOQNOKSA-N 0 0 472.431 4.773 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC001443298502 1066292013 /nfs/dbraw/zinc/29/20/13/1066292013.db2.gz XKDRHZKIIHKQNU-OAHLLOKOSA-N 0 0 450.322 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N=c2sccn2Cc2ccccc2Cl)C1(C)C ZINC001443298457 1066292028 /nfs/dbraw/zinc/29/20/28/1066292028.db2.gz XBFISIYMVQLZOZ-WBVHZDCISA-N 0 0 450.004 4.618 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC001443303562 1066292320 /nfs/dbraw/zinc/29/23/20/1066292320.db2.gz OHBJUOUZWKLHID-URXFXBBRSA-N 0 0 456.652 4.570 20 0 JJADRN CCCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)cc1OC ZINC001454499581 1066293703 /nfs/dbraw/zinc/29/37/03/1066293703.db2.gz VATUKUNVZAOETH-HXUWFJFHSA-N 0 0 450.482 4.967 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 ZINC001546062218 1066293813 /nfs/dbraw/zinc/29/38/13/1066293813.db2.gz MPXWMZYAFURYEF-XXBNENTESA-N 0 0 462.063 4.774 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC001454499811 1066293906 /nfs/dbraw/zinc/29/39/06/1066293906.db2.gz QONVAOJYSAPVKW-DEOSSOPVSA-N 0 0 458.606 4.754 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1csc(C(F)(F)F)c1)c1c(F)cccc1F ZINC001454499178 1066293948 /nfs/dbraw/zinc/29/39/48/1066293948.db2.gz WIJDXJKKQRFHCS-OAHLLOKOSA-N 0 0 450.429 4.927 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(C)n([C@H](C)C3CC3)n2)c2ccc(OC)cc2)n1 ZINC001361055532 1066294363 /nfs/dbraw/zinc/29/43/63/1066294363.db2.gz JVMUDBGYLKGBPT-OAHLLOKOSA-N 0 0 454.552 4.783 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCS2)no1 ZINC001361055612 1066294511 /nfs/dbraw/zinc/29/45/11/1066294511.db2.gz ZYMTYBLCOCERRW-AWEZNQCLSA-N 0 0 468.446 4.988 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)C1 ZINC001546062252 1066294486 /nfs/dbraw/zinc/29/44/86/1066294486.db2.gz NDGGKUURVLJQIU-WNSKOXEYSA-N 0 0 460.504 4.960 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(-n4ccnc4)c(C)c3)[nH]c(=O)c2c1C ZINC001443312199 1066294410 /nfs/dbraw/zinc/29/44/10/1066294410.db2.gz LNINPDIOZZOAOR-OAHLLOKOSA-N 0 0 453.593 4.768 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1-n1ccnc1 ZINC001443310829 1066294688 /nfs/dbraw/zinc/29/46/88/1066294688.db2.gz ILFJERFFEFICDR-WZONZLPQSA-N 0 0 454.933 4.910 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)NCCc2nc(C3CCCCC3)cs2)cs1 ZINC001443329463 1066295089 /nfs/dbraw/zinc/29/50/89/1066295089.db2.gz BXYUWYLDFXDXGX-UHFFFAOYSA-N 0 0 450.630 4.645 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443334065 1066295839 /nfs/dbraw/zinc/29/58/39/1066295839.db2.gz JLBYREMRNBKBSW-FDDCHVKYSA-N 0 0 453.652 4.849 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)(C)C)C1 ZINC001546062750 1066296346 /nfs/dbraw/zinc/29/63/46/1066296346.db2.gz WMCDTCOKZGPJDR-RXFWQSSRSA-N 0 0 455.647 4.966 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2cc(C)oc2C)no1 ZINC001361056404 1066296394 /nfs/dbraw/zinc/29/63/94/1066296394.db2.gz OQLUESVVIYFSNZ-QHCPKHFHSA-N 0 0 473.936 4.788 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@H]1C)OC ZINC001545957110 1066296760 /nfs/dbraw/zinc/29/67/60/1066296760.db2.gz PBJOOAWVWDAKMA-CRAIPNDOSA-N 0 0 458.404 4.595 20 0 JJADRN O=C(CNC(=O)OCC(F)(F)F)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 ZINC001443341867 1066297121 /nfs/dbraw/zinc/29/71/21/1066297121.db2.gz YZLCVHHLSSBFHX-UHFFFAOYSA-N 0 0 455.483 4.741 20 0 JJADRN Cc1csc([C@@](O)(CC(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C(F)(F)F)n1 ZINC001454538064 1066297344 /nfs/dbraw/zinc/29/73/44/1066297344.db2.gz NJEOHMGZVMMOKD-BEFAXECRSA-N 0 0 457.905 4.920 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(Cl)cc(Br)c3F)ccc2NC1=O ZINC001361056810 1066297735 /nfs/dbraw/zinc/29/77/35/1066297735.db2.gz CGSUTTJCDZSALU-VFZGTOFNSA-N 0 0 455.711 4.842 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001361057490 1066297892 /nfs/dbraw/zinc/29/78/92/1066297892.db2.gz OJQMODXGHVSJFY-UHFFFAOYSA-N 0 0 454.290 4.955 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCC(=O)c1ccc(Cl)cc1F ZINC001454538775 1066297844 /nfs/dbraw/zinc/29/78/44/1066297844.db2.gz MVMHQGQXUZGIDU-UHFFFAOYSA-N 0 0 451.679 4.818 20 0 JJADRN CCON(C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1)[C@@H](C)c1cccc(Br)c1 ZINC001454539853 1066297902 /nfs/dbraw/zinc/29/79/02/1066297902.db2.gz KFPQDNDIQIUBGD-KGLIPLIRSA-N 0 0 453.764 4.762 20 0 JJADRN COC(=O)CCN(C(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(F)c1 ZINC001361058988 1066298542 /nfs/dbraw/zinc/29/85/42/1066298542.db2.gz VUTMIJISAGTGKJ-UHFFFAOYSA-N 0 0 450.297 4.837 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1cn(-c2cccc(C)c2)nn1)C(F)(F)F ZINC001361059241 1066298898 /nfs/dbraw/zinc/29/88/98/1066298898.db2.gz FDSONVBPJNYMRX-OAQYLSRUSA-N 0 0 455.440 4.839 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c3ccccc3n2)c(C)c1 ZINC001361059071 1066298942 /nfs/dbraw/zinc/29/89/42/1066298942.db2.gz ZBXQZTYTQPFJBM-RPBOFIJWSA-N 0 0 450.604 4.946 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c1 ZINC001443354831 1066299088 /nfs/dbraw/zinc/29/90/88/1066299088.db2.gz HGHFZZHHEUVENW-UHFFFAOYSA-N 0 0 455.308 4.649 20 0 JJADRN C[C@H]1CC[C@H](NC(=O)c2cccc(COc3cccc(C=O)c3)c2)CN1C(=O)OC(C)(C)C ZINC001454546328 1066299235 /nfs/dbraw/zinc/29/92/35/1066299235.db2.gz BCVFXWPLUPDRBZ-AVRDEDQJSA-N 0 0 452.551 4.596 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)[C@@H](C)N1Cc2ccccc2C1=O)C(F)(F)F ZINC001361060205 1066300242 /nfs/dbraw/zinc/30/02/42/1066300242.db2.gz UYGPCCHJEIWTNG-IIBYNOLFSA-N 0 0 457.452 4.680 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cnn(-c2ccccn2)c1C)C(F)(F)F ZINC001361060571 1066300328 /nfs/dbraw/zinc/30/03/28/1066300328.db2.gz ZOCZHVAIZNXQPY-NRFANRHFSA-N 0 0 455.440 4.839 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)no1 ZINC001361060693 1066300654 /nfs/dbraw/zinc/30/06/54/1066300654.db2.gz SDDCPZJAHFBNSX-VQTJNVASSA-N 0 0 470.618 4.682 20 0 JJADRN Cc1cccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCO2)c1 ZINC001361061129 1066301248 /nfs/dbraw/zinc/30/12/48/1066301248.db2.gz FBEVYPVNGMZJPH-QFIPXVFZSA-N 0 0 469.630 4.516 20 0 JJADRN Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccnc(OC3CCCCC3)c2)no1 ZINC001361061581 1066301343 /nfs/dbraw/zinc/30/13/43/1066301343.db2.gz OWGJFMANYALNKG-UHFFFAOYSA-N 0 0 452.603 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c2ccccc21 ZINC001454566048 1066301941 /nfs/dbraw/zinc/30/19/41/1066301941.db2.gz UIUMUONXYADBDN-WMZOPIPTSA-N 0 0 459.949 4.713 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)N(C)[C@@H]3CCCCN(C)C3=O)c2c1C ZINC001454572733 1066302578 /nfs/dbraw/zinc/30/25/78/1066302578.db2.gz WOWZBEFYAXRQSB-QGZVFWFLSA-N 0 0 454.621 4.542 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361063487 1066302713 /nfs/dbraw/zinc/30/27/13/1066302713.db2.gz LEZKQVQSNZNCJV-NRFANRHFSA-N 0 0 494.640 4.757 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCC(NC(=O)OC(C)(C)C)CC3)n2)c(C)c1 ZINC001443369214 1066302929 /nfs/dbraw/zinc/30/29/29/1066302929.db2.gz JEEJNFUWNAUZAD-UHFFFAOYSA-N 0 0 458.628 4.663 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)n2)c(C)c1 ZINC001443371105 1066302949 /nfs/dbraw/zinc/30/29/49/1066302949.db2.gz MPMDSTHBZVPLQT-HKBQPEDESA-N 0 0 456.589 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)CC(C)(C)C1 ZINC001454574057 1066302920 /nfs/dbraw/zinc/30/29/20/1066302920.db2.gz BLHARAUUBOBKFR-LJQANCHMSA-N 0 0 455.555 4.687 20 0 JJADRN CCc1ccc(-c2csc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC34CCOCC4)n2)cc1 ZINC001443371975 1066303026 /nfs/dbraw/zinc/30/30/26/1066303026.db2.gz OYIGEBADCFOECU-IBGZPJMESA-N 0 0 457.596 4.727 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC001454573232 1066303174 /nfs/dbraw/zinc/30/31/74/1066303174.db2.gz XPJVSLZVYVWPKD-QFIPXVFZSA-N 0 0 455.530 4.549 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361064339 1066303270 /nfs/dbraw/zinc/30/32/70/1066303270.db2.gz AOCCNONOVYOJIT-QPPBQGQZSA-N 0 0 451.615 4.837 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361064340 1066303382 /nfs/dbraw/zinc/30/33/82/1066303382.db2.gz AOCCNONOVYOJIT-URXFXBBRSA-N 0 0 451.615 4.837 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001454578014 1066303836 /nfs/dbraw/zinc/30/38/36/1066303836.db2.gz JWAXDWFCYAIEJK-MRXNPFEDSA-N 0 0 456.425 4.987 20 0 JJADRN Cc1cccc([C@@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C(C)C)c1 ZINC001454577388 1066303997 /nfs/dbraw/zinc/30/39/97/1066303997.db2.gz RMYPGGASRGGXGI-VWLOTQADSA-N 0 0 450.604 4.909 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)cc2c1 ZINC001443386690 1066303798 /nfs/dbraw/zinc/30/37/98/1066303798.db2.gz ACWIKEOETKEUTA-SFHVURJKSA-N 0 0 451.548 4.784 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCC[C@H](O)C2)no1 ZINC001361064911 1066304239 /nfs/dbraw/zinc/30/42/39/1066304239.db2.gz XFEWBIZEYHPOCT-KNQAVFIVSA-N 0 0 488.032 4.735 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1 ZINC001454578711 1066304404 /nfs/dbraw/zinc/30/44/04/1066304404.db2.gz MODOIFCVBDKFMU-GUDVDZBRSA-N 0 0 467.651 4.612 20 0 JJADRN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc(C)c1OCc1cccnc1 ZINC001454580906 1066304529 /nfs/dbraw/zinc/30/45/29/1066304529.db2.gz BJLVVWJSXIPOGC-SZPZYZBQSA-N 0 0 451.567 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)CCC[C@H]12 ZINC001454579949 1066304544 /nfs/dbraw/zinc/30/45/44/1066304544.db2.gz OVHGSAHIUUEKCB-LZJCXSABSA-N 0 0 479.662 4.708 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(NCc2cncs2)c1 ZINC001443387878 1066304550 /nfs/dbraw/zinc/30/45/50/1066304550.db2.gz JGFTWDBPKGWXIG-SFHVURJKSA-N 0 0 457.397 4.526 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(NCc2cncs2)c1 ZINC001443387868 1066304609 /nfs/dbraw/zinc/30/46/09/1066304609.db2.gz JGFTWDBPKGWXIG-GOSISDBHSA-N 0 0 457.397 4.526 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001443389054 1066304623 /nfs/dbraw/zinc/30/46/23/1066304623.db2.gz GQVXUDWDIVUARS-FUHWJXTLSA-N 0 0 458.183 4.575 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)N[C@@H](c3ccccc3Cl)c3ccccc3OC)C2)c1 ZINC001361065298 1066304772 /nfs/dbraw/zinc/30/47/72/1066304772.db2.gz NKHHTXVLLUVAJI-RPWUZVMVSA-N 0 0 450.922 4.756 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)c1cc(F)cc2cccnc21 ZINC001361065935 1066305179 /nfs/dbraw/zinc/30/51/79/1066305179.db2.gz LFXOQPXNABYCNK-UHFFFAOYSA-N 0 0 458.316 4.668 20 0 JJADRN C[C@@H](CSC(F)(F)F)C(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC001361065959 1066305449 /nfs/dbraw/zinc/30/54/49/1066305449.db2.gz MEVMUADBSBZFIK-QMMMGPOBSA-N 0 0 455.325 4.556 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2Sc2nncn2C)cc1 ZINC001361066367 1066305763 /nfs/dbraw/zinc/30/57/63/1066305763.db2.gz WDLJYXVKMTYGPE-YOEHRIQHSA-N 0 0 473.396 4.870 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CCN2)cc1 ZINC001454589930 1066305828 /nfs/dbraw/zinc/30/58/28/1066305828.db2.gz YOYAUWOKFLAORC-NRFANRHFSA-N 0 0 457.452 4.688 20 0 JJADRN O=C(NCCCCNc1ccccn1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001443404987 1066306119 /nfs/dbraw/zinc/30/61/19/1066306119.db2.gz GAQDBIVIGAMHBF-QFIPXVFZSA-N 0 0 454.368 4.973 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001443404708 1066306330 /nfs/dbraw/zinc/30/63/30/1066306330.db2.gz GMHBIAJCUHHRQI-OXJNMPFZSA-N 0 0 450.501 4.889 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 ZINC001361066471 1066306298 /nfs/dbraw/zinc/30/62/98/1066306298.db2.gz KITXHHSIIFKRKZ-QFIPXVFZSA-N 0 0 480.613 4.948 20 0 JJADRN C[C@H](CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)[C@@H]1CCCO1 ZINC001454594526 1066306698 /nfs/dbraw/zinc/30/66/98/1066306698.db2.gz MFHCSEZBRYDPAR-OGWOLHLISA-N 0 0 452.389 4.816 20 0 JJADRN C[C@H](CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)[C@H]1CCCO1 ZINC001454594525 1066306769 /nfs/dbraw/zinc/30/67/69/1066306769.db2.gz MFHCSEZBRYDPAR-IDHHARJASA-N 0 0 452.389 4.816 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)C(C)(C)c1ccc(Br)cc1 ZINC001454593037 1066307052 /nfs/dbraw/zinc/30/70/52/1066307052.db2.gz YGNNTMXWKRUVHM-UHFFFAOYSA-N 0 0 451.405 4.775 20 0 JJADRN Cc1noc(C)c1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C)c1 ZINC001361066951 1066307387 /nfs/dbraw/zinc/30/73/87/1066307387.db2.gz YZJPDMZEZISZGX-SZPZYZBQSA-N 0 0 494.640 4.841 20 0 JJADRN Cc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2cccs2)cs1 ZINC001361067432 1066307941 /nfs/dbraw/zinc/30/79/41/1066307941.db2.gz RLLKIDQWZKUURY-UHFFFAOYSA-N 0 0 472.039 4.978 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cc(-n3ccnn3)ccc2F)c2cc(F)ccc2F)c1 ZINC001361068133 1066307968 /nfs/dbraw/zinc/30/79/68/1066307968.db2.gz IHVWWYWUWHBWIH-QFIPXVFZSA-N 0 0 454.477 4.926 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545958322 1066308449 /nfs/dbraw/zinc/30/84/49/1066308449.db2.gz AWMIECVYTYTSGW-ZHALLVOQSA-N 0 0 477.556 4.839 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545958348 1066308504 /nfs/dbraw/zinc/30/85/04/1066308504.db2.gz BIPDPPQZNLUDAQ-LJQANCHMSA-N 0 0 476.021 4.661 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CCC(C)C)C1 ZINC001546063696 1066308752 /nfs/dbraw/zinc/30/87/52/1066308752.db2.gz AUIXIPJYAGKGGX-NHCUHLMSSA-N 0 0 452.441 4.849 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSCC(C)C)C1 ZINC001546063666 1066308772 /nfs/dbraw/zinc/30/87/72/1066308772.db2.gz AJXBLLJCZOTPIL-QHCPKHFHSA-N 0 0 464.701 4.754 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545958375 1066308849 /nfs/dbraw/zinc/30/88/49/1066308849.db2.gz BRKIJUOEEPCLQF-GDBMZVCRSA-N 0 0 481.439 4.575 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COc2ccccc2)CC1)OC ZINC001545958396 1066309576 /nfs/dbraw/zinc/30/95/76/1066309576.db2.gz BYVTUBZEOLNLHN-LJQANCHMSA-N 0 0 488.430 4.756 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1(C)C ZINC001443420448 1066309697 /nfs/dbraw/zinc/30/96/97/1066309697.db2.gz ZPZYHDLRIATXGE-KBMIEXCESA-N 0 0 455.555 4.911 20 0 JJADRN CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001454608637 1066309651 /nfs/dbraw/zinc/30/96/51/1066309651.db2.gz BWKXSBZCBYGAEX-UHFFFAOYSA-N 0 0 454.976 4.698 20 0 JJADRN CSC1CCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CC1 ZINC001454613452 1066309683 /nfs/dbraw/zinc/30/96/83/1066309683.db2.gz PJUGZUFSUUIZLA-UHFFFAOYSA-N 0 0 454.852 4.845 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC001361070331 1066309837 /nfs/dbraw/zinc/30/98/37/1066309837.db2.gz JGNAIOIPCHUFCE-GOSISDBHSA-N 0 0 485.629 4.670 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC001454610620 1066309832 /nfs/dbraw/zinc/30/98/32/1066309832.db2.gz XOSMTYCQRCXRGW-LJQANCHMSA-N 0 0 454.571 4.610 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)CC1 ZINC001492597860 1066309991 /nfs/dbraw/zinc/30/99/91/1066309991.db2.gz HDTIWHXMZYAUOG-AZUAARDMSA-N 0 0 467.639 4.672 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C(F)(F)F)C2)no1 ZINC001361070794 1066310514 /nfs/dbraw/zinc/31/05/14/1066310514.db2.gz VGSSHAOLACZQNG-MAUKXSAKSA-N 0 0 499.921 4.801 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(N)=O)C2)cs1 ZINC001361070885 1066310603 /nfs/dbraw/zinc/31/06/03/1066310603.db2.gz XQURSXDBMFQYCJ-IEBWSBKVSA-N 0 0 488.057 4.808 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C(F)F)C2)cs1 ZINC001361070949 1066310868 /nfs/dbraw/zinc/31/08/68/1066310868.db2.gz ZHQKAHNSZGKLMF-AWEZNQCLSA-N 0 0 470.387 4.946 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C1 ZINC001546063910 1066311112 /nfs/dbraw/zinc/31/11/12/1066311112.db2.gz FSAWZUIWTIXKMN-QVKFZJNVSA-N 0 0 451.384 4.900 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958711 1066311836 /nfs/dbraw/zinc/31/18/36/1066311836.db2.gz JNNCLDPWUGUATI-YQQAZPJKSA-N 0 0 495.466 4.964 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)cc1OCC ZINC001443443578 1066312083 /nfs/dbraw/zinc/31/20/83/1066312083.db2.gz AKVUDKNQRJQCRH-KRWDZBQOSA-N 0 0 455.551 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2Cc2cc(C)on2)o1 ZINC001361071856 1066312535 /nfs/dbraw/zinc/31/25/35/1066312535.db2.gz QDTNLAPXKUZHLQ-UHFFFAOYSA-N 0 0 484.601 4.665 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)on2)o1 ZINC001361071952 1066312680 /nfs/dbraw/zinc/31/26/80/1066312680.db2.gz RQOMLBSJBPLFGA-UHFFFAOYSA-N 0 0 460.307 4.729 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)cc2)o1 ZINC001361072360 1066312848 /nfs/dbraw/zinc/31/28/48/1066312848.db2.gz ZPFRYDOUJPFGPP-HXUWFJFHSA-N 0 0 455.356 4.837 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)NCCNC(=O)c3ccc(F)cc3)cc2s1 ZINC001443452362 1066313185 /nfs/dbraw/zinc/31/31/85/1066313185.db2.gz GBVQJNNXFAMZAK-UHFFFAOYSA-N 0 0 454.552 4.709 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC001443450136 1066313221 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HXYDYNKZURZECZ-FQELHTAISA-N 0 0 450.425 4.723 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001443455936 1066313735 /nfs/dbraw/zinc/31/37/35/1066313735.db2.gz LMKSOMILZHSXDU-IEBWSBKVSA-N 0 0 452.986 4.795 20 0 JJADRN CCc1c(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)nnn1-c1cccc(Cl)c1 ZINC001361072424 1066313700 /nfs/dbraw/zinc/31/37/00/1066313700.db2.gz CHYBPSWVZAREEH-UHFFFAOYSA-N 0 0 459.362 4.831 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001443455949 1066314302 /nfs/dbraw/zinc/31/43/02/1066314302.db2.gz LMKSOMILZHSXDU-PKOBYXMFSA-N 0 0 452.986 4.795 20 0 JJADRN O=C(NCc1ccncc1Br)c1cc(Br)c(C(F)(F)F)cc1F ZINC001454646538 1066314337 /nfs/dbraw/zinc/31/43/37/1066314337.db2.gz LFYXCFYQYJVWJJ-UHFFFAOYSA-N 0 0 456.031 4.695 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073468 1066314578 /nfs/dbraw/zinc/31/45/78/1066314578.db2.gz KEOULCUDTQZJGE-UXHICEINSA-N 0 0 480.613 4.728 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cs1 ZINC001361073861 1066314649 /nfs/dbraw/zinc/31/46/49/1066314649.db2.gz ROMODBLWPLFXQO-AWEZNQCLSA-N 0 0 453.509 4.575 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1)c1c(O)cnc2c(Br)cccc21 ZINC001443462700 1066314704 /nfs/dbraw/zinc/31/47/04/1066314704.db2.gz QJXAXSGNUNPPCF-UHFFFAOYSA-N 0 0 454.093 4.535 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cnc1Br ZINC001443462747 1066314775 /nfs/dbraw/zinc/31/47/75/1066314775.db2.gz SFDUISHACKINMA-OAHLLOKOSA-N 0 0 457.372 4.803 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1)OC ZINC001545959431 1066314925 /nfs/dbraw/zinc/31/49/25/1066314925.db2.gz VRQDIXXAIBKBIW-RBBKRZOGSA-N 0 0 463.022 4.578 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)ccc1F ZINC001361073906 1066315231 /nfs/dbraw/zinc/31/52/31/1066315231.db2.gz SFEUNZOUOMGKEE-OAHLLOKOSA-N 0 0 482.913 4.562 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001454653501 1066315595 /nfs/dbraw/zinc/31/55/95/1066315595.db2.gz BNQPKDZOPUAXBE-AYBZRNKSSA-N 0 0 451.405 4.943 20 0 JJADRN O=C(c1cc(Br)c(Br)[nH]1)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001454655613 1066315951 /nfs/dbraw/zinc/31/59/51/1066315951.db2.gz JJMNJEIOSQOTMZ-UHFFFAOYSA-N 0 0 452.068 4.757 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C ZINC001492597914 1066316068 /nfs/dbraw/zinc/31/60/68/1066316068.db2.gz DTBYFOUZVORWRN-CJFMBICVSA-N 0 0 454.640 4.695 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001546064205 1066316501 /nfs/dbraw/zinc/31/65/01/1066316501.db2.gz KXFRNQWRIVLOLO-UTKZUKDTSA-N 0 0 452.441 4.734 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)ccc1F ZINC001361077319 1066316571 /nfs/dbraw/zinc/31/65/71/1066316571.db2.gz NLQLJWPGJWVQDG-LEWJYISDSA-N 0 0 487.620 4.504 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC001361077171 1066316742 /nfs/dbraw/zinc/31/67/42/1066316742.db2.gz KFVXBZHBUFKQLI-CYBMUJFWSA-N 0 0 454.440 4.521 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C1 ZINC001546064206 1066316822 /nfs/dbraw/zinc/31/68/22/1066316822.db2.gz KXFRNQWRIVLOLO-UWJYYQICSA-N 0 0 452.441 4.734 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C1 ZINC001454658192 1066317094 /nfs/dbraw/zinc/31/70/94/1066317094.db2.gz HJWIJQGYRFLTFH-SFHVURJKSA-N 0 0 459.518 4.581 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001454658027 1066317314 /nfs/dbraw/zinc/31/73/14/1066317314.db2.gz XESRGMBGDFLIMS-MRXNPFEDSA-N 0 0 453.967 4.818 20 0 JJADRN Cc1cc(Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(Br)s2)ccc1F ZINC001361077395 1066317274 /nfs/dbraw/zinc/31/72/74/1066317274.db2.gz PISXBGYRKGZTCD-UHFFFAOYSA-N 0 0 479.419 4.864 20 0 JJADRN Cc1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H]2CC=CCC2)ccc1F ZINC001361078131 1066317717 /nfs/dbraw/zinc/31/77/17/1066317717.db2.gz MANODEPDGPBARG-REWPJTCUSA-N 0 0 499.631 4.875 20 0 JJADRN Cc1cc(Cn2c(CC(C)C)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361078452 1066318058 /nfs/dbraw/zinc/31/80/58/1066318058.db2.gz UHKGTROWAYLIKB-ICSRJNTNSA-N 0 0 459.610 4.712 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001546064276 1066318198 /nfs/dbraw/zinc/31/81/98/1066318198.db2.gz MJKWOQUISOKCFH-XMSQKQJNSA-N 0 0 486.535 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)sc2C1 ZINC001443492734 1066318457 /nfs/dbraw/zinc/31/84/57/1066318457.db2.gz OOAPPRUVRQRJAC-UHFFFAOYSA-N 0 0 459.959 4.732 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)cc1 ZINC001361079283 1066318696 /nfs/dbraw/zinc/31/86/96/1066318696.db2.gz UDZNWHMBSPFZFL-NRFANRHFSA-N 0 0 458.624 4.902 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2csc(Br)c2)no1 ZINC001361080434 1066319223 /nfs/dbraw/zinc/31/92/23/1066319223.db2.gz IYPWGEVFXJIDEV-UHFFFAOYSA-N 0 0 476.375 4.813 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001454685710 1066319231 /nfs/dbraw/zinc/31/92/31/1066319231.db2.gz JTWFSUHBWKGPMT-DRLORSAXSA-N 0 0 454.636 4.974 20 0 JJADRN Cc1cc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1F ZINC001361080849 1066319586 /nfs/dbraw/zinc/31/95/86/1066319586.db2.gz UWUUPJXNBCBPMO-QFIPXVFZSA-N 0 0 494.615 4.501 20 0 JJADRN CCc1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n[nH]c1-c1ccc(Br)cc1 ZINC001443499132 1066319662 /nfs/dbraw/zinc/31/96/62/1066319662.db2.gz NARIWEHREGZKKX-INIZCTEOSA-N 0 0 457.303 4.605 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)c3cc4n(n3)CCC[C@@H]4NC(=O)OC(C)(C)C)n2)s1 ZINC001443496346 1066319793 /nfs/dbraw/zinc/31/97/93/1066319793.db2.gz ZIXSNESLKBSPLS-ZDUSSCGKSA-N 0 0 459.597 4.988 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080689 1066319757 /nfs/dbraw/zinc/31/97/57/1066319757.db2.gz SDHDWJOUKZEELB-BEFAXECRSA-N 0 0 473.668 4.698 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@]3(O)CCCC(C)(C)CC3)cc2)c1C ZINC001454689059 1066319836 /nfs/dbraw/zinc/31/98/36/1066319836.db2.gz INEFNVCIWVZEFK-VWLOTQADSA-N 0 0 458.624 4.555 20 0 JJADRN CCc1nc2ccccc2n1CC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)c1CC ZINC001443503350 1066320301 /nfs/dbraw/zinc/32/03/01/1066320301.db2.gz YXHCXCTVVUNODZ-UHFFFAOYSA-N 0 0 452.356 4.952 20 0 JJADRN Cc1cc(Cn2c(CC3CC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080937 1066320104 /nfs/dbraw/zinc/32/01/04/1066320104.db2.gz DNQHDHOYUVIKCG-XLIONFOSSA-N 0 0 459.660 4.778 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546064500 1066320465 /nfs/dbraw/zinc/32/04/65/1066320465.db2.gz QNMAXBCRJABOKB-QFIPXVFZSA-N 0 0 475.519 4.501 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546064499 1066320483 /nfs/dbraw/zinc/32/04/83/1066320483.db2.gz QNMAXBCRJABOKB-JOCHJYFZSA-N 0 0 475.519 4.501 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)cc2)n1 ZINC001361081564 1066320571 /nfs/dbraw/zinc/32/05/71/1066320571.db2.gz JSKNKGXSSJOJCC-UHFFFAOYSA-N 0 0 452.898 4.637 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC2CCCCC2)C1 ZINC001546064527 1066320627 /nfs/dbraw/zinc/32/06/27/1066320627.db2.gz QYLLEDFMEXGBIV-RUZDIDTESA-N 0 0 474.671 4.714 20 0 JJADRN Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)n2)s1 ZINC001443507970 1066320741 /nfs/dbraw/zinc/32/07/41/1066320741.db2.gz JLWNSGKEQXTDRR-FZMZJTMJSA-N 0 0 452.602 4.582 20 0 JJADRN Cc1cc(Cn2c(CCCc3ccccc3)nnc2N2CCCN(C(=O)C(C)C)CC2)cs1 ZINC001361081640 1066320746 /nfs/dbraw/zinc/32/07/46/1066320746.db2.gz RLQAHOYUXDNIST-UHFFFAOYSA-N 0 0 465.667 4.566 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC001454695793 1066320894 /nfs/dbraw/zinc/32/08/94/1066320894.db2.gz GNGZEVOPRMBZBH-IBGZPJMESA-N 0 0 451.350 4.633 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)no1 ZINC001361083324 1066321548 /nfs/dbraw/zinc/32/15/48/1066321548.db2.gz CEWBTCSQZSCLGI-UHFFFAOYSA-N 0 0 467.614 4.893 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001546064578 1066321657 /nfs/dbraw/zinc/32/16/57/1066321657.db2.gz RXBPPPNAYBZXRC-KWTBFXGESA-N 0 0 470.658 4.833 20 0 JJADRN Cc1cc(Cn2c(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)ccc1F ZINC001361083454 1066321725 /nfs/dbraw/zinc/32/17/25/1066321725.db2.gz DZLRTRBIMOJMDX-HKUYNNGSSA-N 0 0 459.610 4.811 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1 ZINC001443515419 1066321669 /nfs/dbraw/zinc/32/16/69/1066321669.db2.gz NMQJXBWXLCVOOB-UHFFFAOYSA-N 0 0 458.967 4.987 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(CSC)c2)cc1 ZINC001443515108 1066321769 /nfs/dbraw/zinc/32/17/69/1066321769.db2.gz LRAXNDUSSHBCJZ-UHFFFAOYSA-N 0 0 458.630 4.861 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)cc1 ZINC001443514612 1066321830 /nfs/dbraw/zinc/32/18/30/1066321830.db2.gz KDMKQNIVKMCYMY-UHFFFAOYSA-N 0 0 451.529 4.502 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCn2ccnc2C)C1 ZINC001546064637 1066322537 /nfs/dbraw/zinc/32/25/37/1066322537.db2.gz SYHAWPOZFTWRBK-JOCHJYFZSA-N 0 0 474.451 4.658 20 0 JJADRN Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)noc2C)no1 ZINC001361084433 1066322540 /nfs/dbraw/zinc/32/25/40/1066322540.db2.gz RQYPFUAILMOGID-UHFFFAOYSA-N 0 0 458.975 4.810 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001546064641 1066322713 /nfs/dbraw/zinc/32/27/13/1066322713.db2.gz SZXBAXUTGMMNRV-AREMUKBSSA-N 0 0 469.630 4.980 20 0 JJADRN COc1ccc(CN(C(=O)c2sc3cc(C)c(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001443523380 1066322591 /nfs/dbraw/zinc/32/25/91/1066322591.db2.gz YYCHCZHTNGXYKB-LJQANCHMSA-N 0 0 457.617 4.665 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cs1 ZINC001361084485 1066323021 /nfs/dbraw/zinc/32/30/21/1066323021.db2.gz TUUPELWQDUQIJX-ACJLOTCBSA-N 0 0 470.492 4.570 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)cs1 ZINC001361084637 1066323080 /nfs/dbraw/zinc/32/30/80/1066323080.db2.gz WVBKVQMQTZIPPJ-QFIPXVFZSA-N 0 0 498.546 4.944 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1)OC ZINC001545959626 1066323477 /nfs/dbraw/zinc/32/34/77/1066323477.db2.gz ZKHGKJZGIIMFIG-KCQAQPDRSA-N 0 0 457.413 4.602 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCSCC(C)C)CC2)no1 ZINC001361084885 1066323514 /nfs/dbraw/zinc/32/35/14/1066323514.db2.gz ZHTDYLIZLZFMGK-UHFFFAOYSA-N 0 0 475.062 4.606 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Sc1ccc(Br)cc1 ZINC001443531345 1066323626 /nfs/dbraw/zinc/32/36/26/1066323626.db2.gz MURDCXIOFCXQAA-CZUORRHYSA-N 0 0 459.450 4.985 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)[C@H](C)O1 ZINC001454708174 1066323818 /nfs/dbraw/zinc/32/38/18/1066323818.db2.gz SQYMCOIIVQEVMJ-GCRLEYHISA-N 0 0 450.579 4.622 20 0 JJADRN O=C(c1sc2cccc(F)c2c1COc1ccccc1)N1CCC(CCO)(CCO)CC1 ZINC001454708911 1066323858 /nfs/dbraw/zinc/32/38/58/1066323858.db2.gz BMVCMYWDXZLQDA-UHFFFAOYSA-N 0 0 457.567 4.607 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Sc1ccc(Br)cc1 ZINC001443531346 1066324085 /nfs/dbraw/zinc/32/40/85/1066324085.db2.gz MURDCXIOFCXQAA-XJKSGUPXSA-N 0 0 459.450 4.985 20 0 JJADRN CC(=O)N[C@@H](C(=O)N(C1CC1)C1CC(c2ccccc2C)C1)c1cccc(Br)c1 ZINC001361085221 1066324249 /nfs/dbraw/zinc/32/42/49/1066324249.db2.gz KEVSKZDCJPXHSW-PSGUAHCZSA-N 0 0 455.396 4.872 20 0 JJADRN CSc1cccc([C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccc(F)c(F)c2)c1 ZINC001361085121 1066324345 /nfs/dbraw/zinc/32/43/45/1066324345.db2.gz HWFSMJCWWLCHHT-QHCPKHFHSA-N 0 0 451.498 4.784 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)Nc2cc(O)ccc2C)cc1 ZINC001454709745 1066324360 /nfs/dbraw/zinc/32/43/60/1066324360.db2.gz BIDONHWSWROMNF-UHFFFAOYSA-N 0 0 455.308 4.976 20 0 JJADRN CC[C@@]1(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CCCN1C(=O)OC(C)(C)C ZINC001443531961 1066324398 /nfs/dbraw/zinc/32/43/98/1066324398.db2.gz ODMJRACSTCCEGB-SANMLTNESA-N 0 0 454.615 4.658 20 0 JJADRN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001361086482 1066325084 /nfs/dbraw/zinc/32/50/84/1066325084.db2.gz RBMXYZPFXLTPRF-UHFFFAOYSA-N 0 0 453.535 4.661 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N(C)CCCc3cc(-c4ccccc4)n(C)n3)CCC2=O)cc1C ZINC001443533071 1066325042 /nfs/dbraw/zinc/32/50/42/1066325042.db2.gz SCPCGCVNZSHYEP-HSZRJFAPSA-N 0 0 458.606 4.538 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001454715388 1066325194 /nfs/dbraw/zinc/32/51/94/1066325194.db2.gz XSLRMTDQPRBVBP-ZLNRFVROSA-N 0 0 475.992 4.648 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001443534238 1066325558 /nfs/dbraw/zinc/32/55/58/1066325558.db2.gz YMNACPCBCOCSLU-NSHDSACASA-N 0 0 451.283 4.549 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC=CCO2)C1 ZINC001546064736 1066325384 /nfs/dbraw/zinc/32/53/84/1066325384.db2.gz VJAMSRJAZZQLOU-JTSKRJEESA-N 0 0 461.404 4.688 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001454714184 1066325462 /nfs/dbraw/zinc/32/54/62/1066325462.db2.gz PJYYUGOHPRDQAG-BJZITVGISA-N 0 0 455.338 4.582 20 0 JJADRN COC(=O)Nc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(C)c1 ZINC001454717319 1066325926 /nfs/dbraw/zinc/32/59/26/1066325926.db2.gz ZWCQSLXCLJOSFH-QGZVFWFLSA-N 0 0 453.539 4.832 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001361087226 1066325946 /nfs/dbraw/zinc/32/59/46/1066325946.db2.gz CLHPRSDWRFBPIG-WOJBJXKFSA-N 0 0 483.060 4.853 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1CCc1nccs1 ZINC001361087314 1066326338 /nfs/dbraw/zinc/32/63/38/1066326338.db2.gz GNOAIFZITHELPW-GOSISDBHSA-N 0 0 478.087 4.892 20 0 JJADRN COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 ZINC001454719381 1066326235 /nfs/dbraw/zinc/32/62/35/1066326235.db2.gz PNMCFJBTVIPVPZ-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c(F)c1 ZINC001454719382 1066326484 /nfs/dbraw/zinc/32/64/84/1066326484.db2.gz PNMCFJBTVIPVPZ-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CCC[C@H]1C ZINC001361087502 1066326854 /nfs/dbraw/zinc/32/68/54/1066326854.db2.gz MKPVJSOCUFUMEX-YZIHRLCOSA-N 0 0 491.076 4.665 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001546064825 1066327100 /nfs/dbraw/zinc/32/71/00/1066327100.db2.gz WXXDNFDNIPZIJQ-FQEVSTJZSA-N 0 0 478.464 4.859 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCCS1 ZINC001361087549 1066327293 /nfs/dbraw/zinc/32/72/93/1066327293.db2.gz NNWZAUAASSRFEV-FQEVSTJZSA-N 0 0 475.062 4.517 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(OC(C)(C)C)CC2)n1CC1(O)CCC1 ZINC001361087692 1066327311 /nfs/dbraw/zinc/32/73/11/1066327311.db2.gz AQIZDITUAPQLBH-UHFFFAOYSA-N 0 0 491.076 4.950 20 0 JJADRN C[C@H](C(=O)N1CCN(c2ccc(F)cc2F)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454729795 1066327231 /nfs/dbraw/zinc/32/72/31/1066327231.db2.gz ZRBYVAPFAUBNKX-HTAPYJJXSA-N 0 0 459.537 4.516 20 0 JJADRN COc1ccccc1-c1nc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cs1 ZINC001454730325 1066327425 /nfs/dbraw/zinc/32/74/25/1066327425.db2.gz KCNFVXXMCKWHNG-MRXNPFEDSA-N 0 0 459.612 4.974 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCC2)n1Cc1ccc(N(C)C)nc1 ZINC001361087559 1066327450 /nfs/dbraw/zinc/32/74/50/1066327450.db2.gz NRTCJTYZRLVKTD-UHFFFAOYSA-N 0 0 469.033 4.750 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccsc2)n1Cc1ccn(C)n1 ZINC001361087525 1066327530 /nfs/dbraw/zinc/32/75/30/1066327530.db2.gz NAWQRQVMSVSEDX-UHFFFAOYSA-N 0 0 471.030 4.731 20 0 JJADRN O=C(CC1CCCC1)N1CCCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC001443546057 1066328042 /nfs/dbraw/zinc/32/80/42/1066328042.db2.gz GYSLWRJUTZLLFU-UHFFFAOYSA-N 0 0 458.002 4.581 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2(C)CCC(C)(C)CC2)ccc1Br ZINC001454731323 1066328032 /nfs/dbraw/zinc/32/80/32/1066328032.db2.gz VWKPKISHHVAQJV-UHFFFAOYSA-N 0 0 459.450 4.615 20 0 JJADRN Cc1c(Br)cccc1CC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C ZINC001454733358 1066328555 /nfs/dbraw/zinc/32/85/55/1066328555.db2.gz PMGCGUZKZNHWBL-QGZVFWFLSA-N 0 0 453.421 4.842 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001443549057 1066328580 /nfs/dbraw/zinc/32/85/80/1066328580.db2.gz VBGOBSXNKMFQSR-UHFFFAOYSA-N 0 0 456.453 4.934 20 0 JJADRN Cc1nnsc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1nccs1 ZINC001361087882 1066328615 /nfs/dbraw/zinc/32/86/15/1066328615.db2.gz QDCNFIRDUHPUMY-UHFFFAOYSA-N 0 0 490.058 4.553 20 0 JJADRN Cc1nnsc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001361088057 1066329069 /nfs/dbraw/zinc/32/90/69/1066329069.db2.gz FKQRRQJDOJAADC-GOSISDBHSA-N 0 0 475.062 4.942 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCCNC(=O)OCc2ccccc2)c2ccc(F)cc2)cc1 ZINC001361088191 1066329371 /nfs/dbraw/zinc/32/93/71/1066329371.db2.gz KQVLHEVANNZDCQ-VWLOTQADSA-N 0 0 450.510 4.747 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1 ZINC001443567328 1066329652 /nfs/dbraw/zinc/32/96/52/1066329652.db2.gz PXMOQZCWYYTREA-IBGZPJMESA-N 0 0 456.543 4.503 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1nccs1 ZINC001361088259 1066329663 /nfs/dbraw/zinc/32/96/63/1066329663.db2.gz GSLBRLCQJISURT-QGZVFWFLSA-N 0 0 476.046 4.760 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCCCC2)n1C[C@]1(C)COCCO1 ZINC001361088107 1066329713 /nfs/dbraw/zinc/32/97/13/1066329713.db2.gz RMPQKYQCAFITEW-RUZDIDTESA-N 0 0 477.049 4.826 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)OCc1ccccc1 ZINC001443571568 1066329886 /nfs/dbraw/zinc/32/98/86/1066329886.db2.gz HVZCYUREQRNMCL-LJQANCHMSA-N 0 0 451.473 4.722 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001454745802 1066330562 /nfs/dbraw/zinc/33/05/62/1066330562.db2.gz LSTPHWLPBFDAGW-HHHXNRCGSA-N 0 0 451.586 4.692 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001454745805 1066330654 /nfs/dbraw/zinc/33/06/54/1066330654.db2.gz LSTPHWLPBFDAGW-MHZLTWQESA-N 0 0 451.586 4.692 20 0 JJADRN CNC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454745384 1066330693 /nfs/dbraw/zinc/33/06/93/1066330693.db2.gz QQRAOQBBNHZUHP-SFHVURJKSA-N 0 0 454.621 4.512 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001454761657 1066331017 /nfs/dbraw/zinc/33/10/17/1066331017.db2.gz OOLVNYUVUHWECZ-NRSPTQNISA-N 0 0 460.958 4.561 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC001454747715 1066331187 /nfs/dbraw/zinc/33/11/87/1066331187.db2.gz VUFWNYDSNIGUMB-HXUWFJFHSA-N 0 0 452.378 4.779 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001443578105 1066331074 /nfs/dbraw/zinc/33/10/74/1066331074.db2.gz FANSBIHGEJJXPO-RADWXHQJSA-N 0 0 450.535 4.887 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCc1ccccc1C(N)=O ZINC001443578274 1066331131 /nfs/dbraw/zinc/33/11/31/1066331131.db2.gz GCXOGIIWNPAWEA-WWEVIYMKSA-N 0 0 450.579 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)(c2ccccc2)C1 ZINC001454756070 1066331262 /nfs/dbraw/zinc/33/12/62/1066331262.db2.gz FHBJLLNOHSFMKC-UFPGJGBJSA-N 0 0 470.997 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)(c2ccccc2)C1 ZINC001454755887 1066331306 /nfs/dbraw/zinc/33/13/06/1066331306.db2.gz FHBJLLNOHSFMKC-TVZXLZGTSA-N 0 0 470.997 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC001454767248 1066331519 /nfs/dbraw/zinc/33/15/19/1066331519.db2.gz GMTYBVLLKFSMLP-QHCPKHFHSA-N 0 0 458.562 4.878 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CC(=O)NC1CCCCC1 ZINC001361088553 1066331688 /nfs/dbraw/zinc/33/16/88/1066331688.db2.gz JEMHUNYYHHULED-IBGZPJMESA-N 0 0 488.076 4.937 20 0 JJADRN CCOCCN(CC)C(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001443581472 1066331656 /nfs/dbraw/zinc/33/16/56/1066331656.db2.gz DZKLBXWHOCZTRX-VWLOTQADSA-N 0 0 450.579 4.675 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CC1([S@@](C)=O)CCC1 ZINC001361088623 1066331907 /nfs/dbraw/zinc/33/19/07/1066331907.db2.gz KGWVGVMJKKDZIZ-HYHKQLJDSA-N 0 0 479.090 4.789 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)NC(=O)OC(C)(C)C)cc1 ZINC001443581697 1066332063 /nfs/dbraw/zinc/33/20/63/1066332063.db2.gz FLUIKGKONPYFJN-CEXWTWQISA-N 0 0 458.521 4.992 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)CC2)n1C[C@H]1CCCOC1 ZINC001361088618 1066332224 /nfs/dbraw/zinc/33/22/24/1066332224.db2.gz KELZPYVSIGUQOZ-GOSISDBHSA-N 0 0 468.976 4.914 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CO)CC2)n1Cc1ccncc1Cl ZINC001361088769 1066332537 /nfs/dbraw/zinc/33/25/37/1066332537.db2.gz LDIFBNJVFYHYQB-UHFFFAOYSA-N 0 0 490.435 4.557 20 0 JJADRN C[C@@H](C(=O)NCc1ccc(OC(F)F)cc1F)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454772850 1066332859 /nfs/dbraw/zinc/33/28/59/1066332859.db2.gz GJBFWCSJOWLQON-KUHUBIRLSA-N 0 0 452.473 4.945 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc2ccccc2C(F)(F)F)cc1 ZINC001443586947 1066332936 /nfs/dbraw/zinc/33/29/36/1066332936.db2.gz QTNPEHHOVXOBIF-LJQANCHMSA-N 0 0 452.473 4.775 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC001443586265 1066333163 /nfs/dbraw/zinc/33/31/63/1066333163.db2.gz WDOCQNPPQYPJJF-UHFFFAOYSA-N 0 0 456.543 4.588 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1c[nH]nc1-c1ccccn1 ZINC001443587416 1066333685 /nfs/dbraw/zinc/33/36/85/1066333685.db2.gz LGIRBIJLHWCVPO-UHFFFAOYSA-N 0 0 451.408 4.995 20 0 JJADRN COc1cc(COCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccn1 ZINC001443590876 1066334195 /nfs/dbraw/zinc/33/41/95/1066334195.db2.gz ZIMKHZTUNLHONM-KKLQWCBXSA-N 0 0 454.567 4.863 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CC(F)(F)F ZINC001361089156 1066334201 /nfs/dbraw/zinc/33/42/01/1066334201.db2.gz PUHGNRQQYXUBBI-SFHVURJKSA-N 0 0 482.938 4.889 20 0 JJADRN Cc1ncsc1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001361089170 1066334224 /nfs/dbraw/zinc/33/42/24/1066334224.db2.gz QBMVHGGHYCZXSH-QZTJIDSGSA-N 0 0 490.073 4.873 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1CCOC(C)(C)C ZINC001361089069 1066334244 /nfs/dbraw/zinc/33/42/44/1066334244.db2.gz PIVCKZCEWLPHMC-RTWAWAEBSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CO)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001361089207 1066334979 /nfs/dbraw/zinc/33/49/79/1066334979.db2.gz QNYKWFSCLBOVIK-NHCUHLMSSA-N 0 0 491.076 4.665 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)(C)CC1)OC ZINC001545960448 1066334965 /nfs/dbraw/zinc/33/49/65/1066334965.db2.gz CZQQJGANWLAVAG-OAHLLOKOSA-N 0 0 451.409 4.768 20 0 JJADRN CCN(C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443599651 1066334984 /nfs/dbraw/zinc/33/49/84/1066334984.db2.gz LYVZUOITOXZSIY-NQIIRXRSSA-N 0 0 457.521 4.555 20 0 JJADRN O=C(N1CCC[C@H](C(F)(F)F)C1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001454819676 1066334954 /nfs/dbraw/zinc/33/49/54/1066334954.db2.gz XZWBDHSTAKJNHF-AWEZNQCLSA-N 0 0 452.286 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC001454823310 1066335001 /nfs/dbraw/zinc/33/50/01/1066335001.db2.gz WAZQLZMUYIQLLZ-KLPPZKSPSA-N 0 0 451.283 4.501 20 0 JJADRN COc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1OCCC(C)C ZINC001454823009 1066335115 /nfs/dbraw/zinc/33/51/15/1066335115.db2.gz SYFLBKOEXMIHPA-JCNLHEQBSA-N 0 0 454.995 4.807 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCN2C(=O)CCc3cc(F)ccc32)c2ccc(F)cc2)cc1 ZINC001361089285 1066335141 /nfs/dbraw/zinc/33/51/41/1066335141.db2.gz XNTQKTKGMXTVPE-SANMLTNESA-N 0 0 450.485 4.549 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001454820620 1066335255 /nfs/dbraw/zinc/33/52/55/1066335255.db2.gz ZYNHTRWWWZWKSW-ONIAQPFYSA-N 0 0 456.505 4.767 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC(C)(C)O ZINC001361089468 1066335723 /nfs/dbraw/zinc/33/57/23/1066335723.db2.gz VGJRHFAQAHPDAQ-HDICACEKSA-N 0 0 467.079 4.743 20 0 JJADRN C[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454854836 1066336060 /nfs/dbraw/zinc/33/60/60/1066336060.db2.gz YTCQJVLCPPZTIK-MOPGFXCFSA-N 0 0 453.583 4.987 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454851242 1066336162 /nfs/dbraw/zinc/33/61/62/1066336162.db2.gz OWZCCFQNXXTFGR-MRXNPFEDSA-N 0 0 457.596 4.766 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2C(C)C)n1CC[C@@H]1COCCO1 ZINC001361089497 1066336190 /nfs/dbraw/zinc/33/61/90/1066336190.db2.gz VSVXGJUQIRYZJY-YADHBBJMSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1COCCO1 ZINC001361089490 1066336441 /nfs/dbraw/zinc/33/64/41/1066336441.db2.gz VSDLWUCMHPMZQM-XQBPLPMBSA-N 0 0 477.049 4.539 20 0 JJADRN CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443604387 1066336471 /nfs/dbraw/zinc/33/64/71/1066336471.db2.gz MSNANZADBYGARE-VWNXMTODSA-N 0 0 450.970 4.781 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443613780 1066337199 /nfs/dbraw/zinc/33/71/99/1066337199.db2.gz DWRAQOCUAHOBEM-HHNLSAEISA-N 0 0 459.587 4.853 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=C(C(C)(C)C)CC2)n1Cc1nncn1C ZINC001361089665 1066337206 /nfs/dbraw/zinc/33/72/06/1066337206.db2.gz ZIEHADLOAQNIDN-UHFFFAOYSA-N 0 0 484.048 4.611 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)c1 ZINC001443612168 1066337370 /nfs/dbraw/zinc/33/73/70/1066337370.db2.gz DLOFRARUKWQUIN-UHFFFAOYSA-N 0 0 450.601 4.505 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 ZINC001454879269 1066337546 /nfs/dbraw/zinc/33/75/46/1066337546.db2.gz NAWSWACTRLJNNC-UXPWSPDFSA-N 0 0 456.633 4.894 20 0 JJADRN CCc1c[nH]c(=O)c(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 ZINC001443616179 1066337694 /nfs/dbraw/zinc/33/76/94/1066337694.db2.gz FERIPNCXGIPEEE-QHCPKHFHSA-N 0 0 450.583 4.679 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1CC1 ZINC001443615010 1066337793 /nfs/dbraw/zinc/33/77/93/1066337793.db2.gz KDCJPYSSRPHVOK-ZGXWSNOMSA-N 0 0 493.442 4.888 20 0 JJADRN COc1ccc(C(=O)CCCCCC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC001454881736 1066338199 /nfs/dbraw/zinc/33/81/99/1066338199.db2.gz WBNWOBOLSJBIBL-UHFFFAOYSA-N 0 0 451.489 4.696 20 0 JJADRN Cc1nccn1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)C1 ZINC001361090188 1066338534 /nfs/dbraw/zinc/33/85/34/1066338534.db2.gz CEOUSMDTNJVJRV-IBGZPJMESA-N 0 0 489.089 4.788 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454887239 1066338407 /nfs/dbraw/zinc/33/84/07/1066338407.db2.gz DMLXTQJPHINMCG-INIZCTEOSA-N 0 0 456.587 4.622 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC001443623616 1066338746 /nfs/dbraw/zinc/33/87/46/1066338746.db2.gz ZYQJFUGCEKGGRP-QGZVFWFLSA-N 0 0 457.412 4.786 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)CC1 ZINC001443622445 1066338799 /nfs/dbraw/zinc/33/87/99/1066338799.db2.gz VWTITXZVZHQFDA-QHCPKHFHSA-N 0 0 456.631 4.558 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)OC ZINC001545960580 1066338931 /nfs/dbraw/zinc/33/89/31/1066338931.db2.gz GOQSJESEIYSGAC-IAGOWNOFSA-N 0 0 495.418 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)NC[C@@H]3CC=CC[C@H]3C(F)(F)F)on2)CC1 ZINC001454886245 1066338789 /nfs/dbraw/zinc/33/87/89/1066338789.db2.gz YGASSBYGPMJIMY-JKSUJKDBSA-N 0 0 457.493 4.664 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC3(CC3)C2)n1CCOC(C)(C)C ZINC001361090504 1066339119 /nfs/dbraw/zinc/33/91/19/1066339119.db2.gz GKVBSBFYTPAKHD-UHFFFAOYSA-N 0 0 477.049 4.683 20 0 JJADRN O=C([C@@H](O)c1ccc(Cl)cc1F)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443627884 1066339148 /nfs/dbraw/zinc/33/91/48/1066339148.db2.gz APBMZLQTLTZPPN-FQEVSTJZSA-N 0 0 454.304 4.621 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001361090894 1066339584 /nfs/dbraw/zinc/33/95/84/1066339584.db2.gz LDGAZUFJUSTRFT-AOMKIAJQSA-N 0 0 459.493 4.860 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001361090746 1066339616 /nfs/dbraw/zinc/33/96/16/1066339616.db2.gz IKYMWNLOVGQZML-MJGOQNOKSA-N 0 0 453.027 4.943 20 0 JJADRN Cc1cc(C)cc([C@H](C)NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 ZINC001443628264 1066339864 /nfs/dbraw/zinc/33/98/64/1066339864.db2.gz IALBWEPOOZWLGY-HTAPYJJXSA-N 0 0 451.567 4.572 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC[C@@H]2C)n1CCc1nccnc1C ZINC001361090917 1066339855 /nfs/dbraw/zinc/33/98/55/1066339855.db2.gz LAMUGPSLLVAAKG-SFHVURJKSA-N 0 0 487.073 4.534 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCn2cc(Cl)cn2)C1 ZINC001546066225 1066340517 /nfs/dbraw/zinc/34/05/17/1066340517.db2.gz IZRCPRWSFCTNAF-SFHVURJKSA-N 0 0 469.840 4.946 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCC1(O)CCC1 ZINC001361091041 1066340549 /nfs/dbraw/zinc/34/05/49/1066340549.db2.gz LTUHLTWLLNNPAI-JOCHJYFZSA-N 0 0 491.076 4.808 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@@H]2C)n1CCCc1nccs1 ZINC001361091069 1066340636 /nfs/dbraw/zinc/34/06/36/1066340636.db2.gz MFVMTOIGGZOYEM-SFHVURJKSA-N 0 0 476.046 4.566 20 0 JJADRN Cc1noc(C)c1CSCC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443633183 1066340685 /nfs/dbraw/zinc/34/06/85/1066340685.db2.gz MPTHQYHUSJGLDK-UHFFFAOYSA-N 0 0 450.967 4.633 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCc2nc(C)no2)C1 ZINC001546066456 1066341362 /nfs/dbraw/zinc/34/13/62/1066341362.db2.gz ODPVKJJVPGWPKT-JOCHJYFZSA-N 0 0 473.419 4.967 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C1 ZINC001546066550 1066341380 /nfs/dbraw/zinc/34/13/80/1066341380.db2.gz QISQKZPHAJUNSW-KRWDZBQOSA-N 0 0 453.435 4.604 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCc2nc(C)no2)C1 ZINC001546066457 1066341458 /nfs/dbraw/zinc/34/14/58/1066341458.db2.gz ODPVKJJVPGWPKT-QFIPXVFZSA-N 0 0 473.419 4.967 20 0 JJADRN Cn1nc(-c2ccccc2)cc1C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443635289 1066341372 /nfs/dbraw/zinc/34/13/72/1066341372.db2.gz USDPMQIKQGKDDK-UHFFFAOYSA-N 0 0 451.933 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)C1 ZINC001443635238 1066341682 /nfs/dbraw/zinc/34/16/82/1066341682.db2.gz YALSINAHOHDVEL-KBMIEXCESA-N 0 0 450.579 4.864 20 0 JJADRN O=C(CCC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccc(Cl)cc1 ZINC001454920031 1066341722 /nfs/dbraw/zinc/34/17/22/1066341722.db2.gz KYOPXHMPMQOBHS-OAHLLOKOSA-N 0 0 452.860 4.502 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCn2cc(C)cn2)C1 ZINC001546066562 1066342119 /nfs/dbraw/zinc/34/21/19/1066342119.db2.gz QRBCODFPADJUGF-NRFANRHFSA-N 0 0 461.383 4.678 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@@H]1CCC=CO1 ZINC001361091791 1066342052 /nfs/dbraw/zinc/34/20/52/1066342052.db2.gz UMPSBABUNAPBCJ-CTNGQTDRSA-N 0 0 475.033 4.948 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCNC(=O)CC2)n1CCCC1CCCC1 ZINC001361092024 1066342376 /nfs/dbraw/zinc/34/23/76/1066342376.db2.gz XWIBSGSRLACKHR-UHFFFAOYSA-N 0 0 474.049 4.548 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1C(C)C)OC ZINC001545960739 1066342570 /nfs/dbraw/zinc/34/25/70/1066342570.db2.gz IWEJQISQAKFCKR-BEFAXECRSA-N 0 0 451.409 4.766 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C1 ZINC001454921770 1066342830 /nfs/dbraw/zinc/34/28/30/1066342830.db2.gz XPBQWVSKCXLWCU-MRXNPFEDSA-N 0 0 453.564 4.709 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC(=O)NC(C)C ZINC001361092118 1066343081 /nfs/dbraw/zinc/34/30/81/1066343081.db2.gz ZOBZSHBNNAXUSI-IBVKSMDESA-N 0 0 488.076 4.935 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@]1(C)CCCO1 ZINC001361092126 1066343172 /nfs/dbraw/zinc/34/31/72/1066343172.db2.gz ZQEIRFGPOWBWOW-DHLKQENFSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n1CC(F)(F)F)CC2 ZINC001361092664 1066343432 /nfs/dbraw/zinc/34/34/32/1066343432.db2.gz QULSOGRUFCOOSZ-QGZVFWFLSA-N 0 0 497.537 4.965 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(CC(C)(C)C)n1CCCNC(=O)OC(C)(C)C)CC2 ZINC001361092330 1066343580 /nfs/dbraw/zinc/34/35/80/1066343580.db2.gz GJCIXNZMHLPCEA-UHFFFAOYSA-N 0 0 459.610 4.792 20 0 JJADRN O=C(NCC[C@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)c2ccccc21)C(F)(F)F ZINC001454939752 1066343868 /nfs/dbraw/zinc/34/38/68/1066343868.db2.gz YKYHNVQHIZLFEI-NSHDSACASA-N 0 0 453.873 4.762 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443642463 1066344039 /nfs/dbraw/zinc/34/40/39/1066344039.db2.gz RMHJXQKBRPXGEO-XTEPFMGCSA-N 0 0 455.602 4.761 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CC1 ZINC001443643584 1066344198 /nfs/dbraw/zinc/34/41/98/1066344198.db2.gz GURUXJNYSAXWHX-UHFFFAOYSA-N 0 0 456.612 4.606 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc2c(cccc2N(C)C)s1 ZINC001361094405 1066344361 /nfs/dbraw/zinc/34/43/61/1066344361.db2.gz YFFJOBXTKRWQOL-KRWDZBQOSA-N 0 0 450.608 4.715 20 0 JJADRN O=C(NCCCNC(=O)C1(c2ccccc2)CCCCCC1)c1ccc(Br)cc1 ZINC001361093924 1066344395 /nfs/dbraw/zinc/34/43/95/1066344395.db2.gz QKSVAZYCGWTJCG-UHFFFAOYSA-N 0 0 457.412 4.977 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001361093640 1066344458 /nfs/dbraw/zinc/34/44/58/1066344458.db2.gz NOCGNJHPMGHHBA-QGZVFWFLSA-N 0 0 459.512 4.871 20 0 JJADRN O=C(CCSc1cccc(Cl)c1)NCCCNC(=O)c1ccc(Br)cc1 ZINC001361094379 1066344494 /nfs/dbraw/zinc/34/44/94/1066344494.db2.gz XLIUHDWJQXJCFT-UHFFFAOYSA-N 0 0 455.805 4.521 20 0 JJADRN C[C@@H](Cc1cncc2ccccc21)C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454940218 1066344575 /nfs/dbraw/zinc/34/45/75/1066344575.db2.gz ZVDHJMVEIQPIGA-WMZOPIPTSA-N 0 0 455.480 4.612 20 0 JJADRN CC(=O)N(CCC(=O)Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)Cc1ccccc1 ZINC001454942985 1066344683 /nfs/dbraw/zinc/34/46/83/1066344683.db2.gz NBWRHHMWKFCWOF-UHFFFAOYSA-N 0 0 455.558 4.559 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001443649294 1066344629 /nfs/dbraw/zinc/34/46/29/1066344629.db2.gz FYBLNUXCTSEEHW-NRFANRHFSA-N 0 0 453.583 4.766 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2OCC[C@H]2C)C1 ZINC001546066676 1066344775 /nfs/dbraw/zinc/34/47/75/1066344775.db2.gz SRMSAVKVPPGYAM-CFCCAZDESA-N 0 0 451.384 4.898 20 0 JJADRN CN(CCCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)C(=O)OC(C)(C)C ZINC001443649394 1066344777 /nfs/dbraw/zinc/34/47/77/1066344777.db2.gz QFNJARDUJADDBL-UHFFFAOYSA-N 0 0 458.628 4.948 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001361094567 1066344866 /nfs/dbraw/zinc/34/48/66/1066344866.db2.gz CSMUIMMSFGROCL-UHFFFAOYSA-N 0 0 471.621 4.804 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CC1 ZINC001443651239 1066345064 /nfs/dbraw/zinc/34/50/64/1066345064.db2.gz SZCQYKHOGPSLTM-UHFFFAOYSA-N 0 0 454.640 4.632 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC2CCOCC2)C1 ZINC001546066744 1066345108 /nfs/dbraw/zinc/34/51/08/1066345108.db2.gz UJAVXQLXVSIUBK-HSZRJFAPSA-N 0 0 477.447 4.920 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccn1 ZINC001361094958 1066345463 /nfs/dbraw/zinc/34/54/63/1066345463.db2.gz BIJFIMVVPMGPKZ-DHIUTWEWSA-N 0 0 451.590 4.918 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546066851 1066345624 /nfs/dbraw/zinc/34/56/24/1066345624.db2.gz WLDBRNJKHSMHBM-QHCPKHFHSA-N 0 0 490.530 4.640 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCCOc3ccccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962720 1066345725 /nfs/dbraw/zinc/34/57/25/1066345725.db2.gz BINVRNMSAWDFNO-XZOQPEGZSA-N 0 0 468.594 4.682 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OCCOC)C1 ZINC001546066890 1066345775 /nfs/dbraw/zinc/34/57/75/1066345775.db2.gz XJJATBGHGIRIHJ-DEOSSOPVSA-N 0 0 455.990 4.693 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1)OC ZINC001545960883 1066345846 /nfs/dbraw/zinc/34/58/46/1066345846.db2.gz LLDVQZYVTMKPQP-VQTJNVASSA-N 0 0 463.420 4.528 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001361095718 1066345977 /nfs/dbraw/zinc/34/59/77/1066345977.db2.gz OEJTZKWCGNKJRV-UHFFFAOYSA-N 0 0 499.656 4.744 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963226 1066346032 /nfs/dbraw/zinc/34/60/32/1066346032.db2.gz GWWCLXAZAMEOBT-FCHUYYIVSA-N 0 0 474.985 4.637 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001443664164 1066346257 /nfs/dbraw/zinc/34/62/57/1066346257.db2.gz MMNGLCCVAOCXQO-FQRUVTKNSA-N 0 0 454.567 4.866 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001361095909 1066346407 /nfs/dbraw/zinc/34/64/07/1066346407.db2.gz RCOMWNLPFSGQER-SIKLNZKXSA-N 0 0 487.620 4.513 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)C[C@H](C)c3ccccc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965612 1066346543 /nfs/dbraw/zinc/34/65/43/1066346543.db2.gz SSXKWRAOVDLNPA-JWNTYJGQSA-N 0 0 456.558 4.847 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCC(=O)c3ccc(C)c(C)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965341 1066346741 /nfs/dbraw/zinc/34/67/41/1066346741.db2.gz ROBBMSUQSVCOEP-BJKOFHAPSA-N 0 0 480.605 4.794 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964445 1066346799 /nfs/dbraw/zinc/34/67/99/1066346799.db2.gz OYRQPXBTLBEKGI-FUHWJXTLSA-N 0 0 466.912 4.760 20 0 JJADRN C[C@@H](CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)Oc1cccc(Br)c1 ZINC001361096334 1066346922 /nfs/dbraw/zinc/34/69/22/1066346922.db2.gz GHFYXIWRZFMOSV-VFNNOXKTSA-N 0 0 450.329 4.594 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc(F)c2Cl)c2cc(F)ccc2F)c1 ZINC001361096273 1066346955 /nfs/dbraw/zinc/34/69/55/1066346955.db2.gz FDICCIWJGDNMGX-FQEVSTJZSA-N 0 0 453.869 4.680 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C[C@@H]2CCc3ccccc32)c2cc(F)ccc2F)c1 ZINC001361096789 1066347162 /nfs/dbraw/zinc/34/71/62/1066347162.db2.gz PNJYKFKFZBIFMS-SSOJOUAXSA-N 0 0 455.526 4.694 20 0 JJADRN Cc1ccc(/C=C/CC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001361097239 1066347674 /nfs/dbraw/zinc/34/76/74/1066347674.db2.gz ZURPKMMLFUCKNG-YQVIQHHGSA-N 0 0 455.526 4.986 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC001443679763 1066348171 /nfs/dbraw/zinc/34/81/71/1066348171.db2.gz HEBMKZPUJYRETL-UHFFFAOYSA-N 0 0 457.574 4.533 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2)n1 ZINC001443677452 1066348234 /nfs/dbraw/zinc/34/82/34/1066348234.db2.gz HIVUGOLBUTZGDM-UHFFFAOYSA-N 0 0 455.971 4.838 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]2CCC[C@@H]21)OC ZINC001545960988 1066348287 /nfs/dbraw/zinc/34/82/87/1066348287.db2.gz MVCLPLBQGPPXJI-QINHECLXSA-N 0 0 463.420 4.910 20 0 JJADRN CCC[C@@H](C(=O)N[C@@H](CC)C[C@@H](C)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454979816 1066349216 /nfs/dbraw/zinc/34/92/16/1066349216.db2.gz FWNGUFUAZPONRT-WYEJZRMESA-N 0 0 452.595 4.702 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC001443681738 1066349227 /nfs/dbraw/zinc/34/92/27/1066349227.db2.gz TWWZAOBCYUEBNL-UHFFFAOYSA-N 0 0 451.335 4.700 20 0 JJADRN CCC[C@@H](C(=O)N[C@H](CC)C[C@H](C)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454979802 1066349261 /nfs/dbraw/zinc/34/92/61/1066349261.db2.gz FWNGUFUAZPONRT-CEYNDMKZSA-N 0 0 452.595 4.702 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)c1 ZINC001454979310 1066349542 /nfs/dbraw/zinc/34/95/42/1066349542.db2.gz GZOUQQKODVYADX-YLJYHZDGSA-N 0 0 458.486 4.688 20 0 JJADRN Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361099667 1066349421 /nfs/dbraw/zinc/34/94/21/1066349421.db2.gz IDOUPLMHUHWNFY-SIKLNZKXSA-N 0 0 462.598 4.843 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCNC(=O)C(C)C)c1 ZINC001361100134 1066349765 /nfs/dbraw/zinc/34/97/65/1066349765.db2.gz XUZMCTPQEINCAK-SFHVURJKSA-N 0 0 451.640 4.980 20 0 JJADRN CN(CC1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1)C(=O)OC(C)(C)C ZINC001443685311 1066349833 /nfs/dbraw/zinc/34/98/33/1066349833.db2.gz HMJXJOOJEYLREH-UHFFFAOYSA-N 0 0 450.377 4.650 20 0 JJADRN COc1cc(CC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc(OC)c1O ZINC001443685890 1066349907 /nfs/dbraw/zinc/34/99/07/1066349907.db2.gz GERDFUUFRBBHNA-UHFFFAOYSA-N 0 0 453.457 4.822 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1cc2c([nH]c1=O)CCCC2)CC1CCCCC1 ZINC001454992982 1066350011 /nfs/dbraw/zinc/35/00/11/1066350011.db2.gz TZOSNVFCZLGJKS-OAQYLSRUSA-N 0 0 459.631 4.926 20 0 JJADRN CCC(F)(F)c1ccccc1NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001454996223 1066350097 /nfs/dbraw/zinc/35/00/97/1066350097.db2.gz YZPWNBLEXAVQSQ-UHFFFAOYSA-N 0 0 451.539 4.559 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC001443684883 1066350022 /nfs/dbraw/zinc/35/00/22/1066350022.db2.gz YPHGZTFPBVVOLD-KRWDZBQOSA-N 0 0 459.019 4.505 20 0 JJADRN COc1ccc(C=O)c(OCC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001443685737 1066350035 /nfs/dbraw/zinc/35/00/35/1066350035.db2.gz FQNMPKUDIYILLI-UHFFFAOYSA-N 0 0 451.441 4.757 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)C(C)C)cc1 ZINC001361100729 1066350425 /nfs/dbraw/zinc/35/04/25/1066350425.db2.gz QYDIIVPGSPBWIY-HXUWFJFHSA-N 0 0 458.558 4.913 20 0 JJADRN CCC(O)(CC)C(C)(C)NC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC001454997562 1066350494 /nfs/dbraw/zinc/35/04/94/1066350494.db2.gz ATJGYMJGTKGNBG-UHFFFAOYSA-N 0 0 453.649 4.626 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001443686003 1066350469 /nfs/dbraw/zinc/35/04/69/1066350469.db2.gz HDPOIOPJBXLJGB-LOSJGSFVSA-N 0 0 458.558 4.970 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(Br)c3)n[nH]2)cc1 ZINC001455000118 1066350617 /nfs/dbraw/zinc/35/06/17/1066350617.db2.gz PHKKPOBRYFEQIC-UHFFFAOYSA-N 0 0 451.118 4.863 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454999689 1066350763 /nfs/dbraw/zinc/35/07/63/1066350763.db2.gz GFCTUXQOPFOQGO-PKOBYXMFSA-N 0 0 450.530 4.849 20 0 JJADRN C=C1c2ccccc2C(=O)N1CCC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001361101641 1066351084 /nfs/dbraw/zinc/35/10/84/1066351084.db2.gz ADMHQCRMSHECOY-UHFFFAOYSA-N 0 0 459.409 4.953 20 0 JJADRN Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 ZINC001443691456 1066351186 /nfs/dbraw/zinc/35/11/86/1066351186.db2.gz ROIQKQGQDBINJZ-UHFFFAOYSA-N 0 0 450.516 4.784 20 0 JJADRN CC(C)N(CCCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)C(=O)OC(C)(C)C ZINC001443696028 1066351483 /nfs/dbraw/zinc/35/14/83/1066351483.db2.gz JSUAQLSXQIPYRY-IBGZPJMESA-N 0 0 455.599 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)C1 ZINC001443697195 1066352183 /nfs/dbraw/zinc/35/21/83/1066352183.db2.gz KHLXWVWZLUZDOI-LJQANCHMSA-N 0 0 452.942 4.999 20 0 JJADRN O=C(Nc1cncc(C(F)F)c1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC001455007282 1066352355 /nfs/dbraw/zinc/35/23/55/1066352355.db2.gz UZRXEEXDWIVBLP-UHFFFAOYSA-N 0 0 455.845 4.865 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455006731 1066352462 /nfs/dbraw/zinc/35/24/62/1066352462.db2.gz WVWQTRBNOANKMJ-OPAMFIHVSA-N 0 0 457.571 4.550 20 0 JJADRN Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361102886 1066352659 /nfs/dbraw/zinc/35/26/59/1066352659.db2.gz JEADMPAYXWMQIW-UHFFFAOYSA-N 0 0 486.523 4.808 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccccc1Sc1ccccc1 ZINC001443698869 1066352805 /nfs/dbraw/zinc/35/28/05/1066352805.db2.gz IXDPJQRDNDZCBQ-UHFFFAOYSA-N 0 0 455.377 4.647 20 0 JJADRN COC[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1cccc(Br)c1 ZINC001455008819 1066353104 /nfs/dbraw/zinc/35/31/04/1066353104.db2.gz VNOZIRIWVNGDEX-IAGOWNOFSA-N 0 0 457.409 4.582 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)c2)n1 ZINC001443702596 1066353231 /nfs/dbraw/zinc/35/32/31/1066353231.db2.gz NWTUPEADFZADJG-UHFFFAOYSA-N 0 0 458.628 4.783 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001443702052 1066353277 /nfs/dbraw/zinc/35/32/77/1066353277.db2.gz URIDCXKPOKTBCP-OAQYLSRUSA-N 0 0 455.967 4.955 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC001455010185 1066353386 /nfs/dbraw/zinc/35/33/86/1066353386.db2.gz PKGAZXQCYVTTAO-SFHVURJKSA-N 0 0 453.564 4.929 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@@H](C)C1)OC ZINC001545961242 1066353449 /nfs/dbraw/zinc/35/34/49/1066353449.db2.gz RFXPHQOREMHYEP-GOEBONIOSA-N 0 0 477.428 4.982 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC001455012893 1066353719 /nfs/dbraw/zinc/35/37/19/1066353719.db2.gz XRYWSUSGOOERKS-OAHLLOKOSA-N 0 0 459.955 4.965 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1nccc2c(Br)cccc21)c1ccc(SC)cc1 ZINC001361104192 1066353825 /nfs/dbraw/zinc/35/38/25/1066353825.db2.gz OLXHEVHYCRRFDJ-SFHVURJKSA-N 0 0 459.365 4.753 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C12CCCC2 ZINC001361104313 1066353851 /nfs/dbraw/zinc/35/38/51/1066353851.db2.gz MQFSFZGMQGWYGO-GOTSBHOMSA-N 0 0 458.668 4.943 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001361104549 1066353900 /nfs/dbraw/zinc/35/39/00/1066353900.db2.gz UAXRSXFSESWRKP-CEXWTWQISA-N 0 0 466.022 4.517 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC001443703372 1066353981 /nfs/dbraw/zinc/35/39/81/1066353981.db2.gz VOYHYDOPWUERRJ-JOCHJYFZSA-N 0 0 454.368 4.612 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)(C)C2CCC(O)CC2)CC1 ZINC001443704050 1066354284 /nfs/dbraw/zinc/35/42/84/1066354284.db2.gz XBLYVFLQJNTZOC-DQVLVPHSSA-N 0 0 451.449 4.622 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC001443704307 1066354410 /nfs/dbraw/zinc/35/44/10/1066354410.db2.gz SEAHMNNYPJWYHD-FQEVSTJZSA-N 0 0 450.608 4.613 20 0 JJADRN COc1n[nH]c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1Br ZINC001455038602 1066354634 /nfs/dbraw/zinc/35/46/34/1066354634.db2.gz XYVUSYSXGKWUMP-UHFFFAOYSA-N 0 0 459.325 4.867 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC001455039023 1066354790 /nfs/dbraw/zinc/35/47/90/1066354790.db2.gz OJKBJCHGSIYBLG-NJAFHUGGSA-N 0 0 450.963 4.867 20 0 JJADRN COc1n[nH]c(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1Br ZINC001455037166 1066354807 /nfs/dbraw/zinc/35/48/07/1066354807.db2.gz HPSQMGARKFNFHL-UHFFFAOYSA-N 0 0 458.341 4.602 20 0 JJADRN C[C@@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1Cl ZINC001443706787 1066355234 /nfs/dbraw/zinc/35/52/34/1066355234.db2.gz BQUOBCCPICGRTH-SWXJFYGISA-N 0 0 456.675 4.635 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001361106108 1066355440 /nfs/dbraw/zinc/35/54/40/1066355440.db2.gz DGUISYZPTSBJPM-UHFFFAOYSA-N 0 0 458.400 4.767 20 0 JJADRN CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1(C)C ZINC001361106088 1066355596 /nfs/dbraw/zinc/35/55/96/1066355596.db2.gz DAUJPSQCEJWXFJ-CVDCTZTESA-N 0 0 459.384 4.977 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)Nc3cccc(CN=S4(=O)CCCC4)c3)CCCC2)c1 ZINC001455048531 1066355625 /nfs/dbraw/zinc/35/56/25/1066355625.db2.gz OWMHPJZOVCPFRE-UHFFFAOYSA-N 0 0 456.608 4.916 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3cc(C)cc(Br)c3)CC2)nc1C ZINC001455056091 1066355698 /nfs/dbraw/zinc/35/56/98/1066355698.db2.gz FSRSWZSHCCNCBH-UHFFFAOYSA-N 0 0 451.386 4.719 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361106098 1066355717 /nfs/dbraw/zinc/35/57/17/1066355717.db2.gz BAVRXEVUDRWXPG-VQTJNVASSA-N 0 0 469.630 4.673 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC001443720800 1066356306 /nfs/dbraw/zinc/35/63/06/1066356306.db2.gz ZXWUPYCTUXFCEO-UHFFFAOYSA-N 0 0 454.548 4.844 20 0 JJADRN O=C(CCC(=O)N[C@H](c1nccs1)c1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC001443719703 1066356526 /nfs/dbraw/zinc/35/65/26/1066356526.db2.gz XDVWYJQUOWSNBT-IBGZPJMESA-N 0 0 455.609 4.667 20 0 JJADRN Nc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC(F)(F)F ZINC001443723042 1066356700 /nfs/dbraw/zinc/35/67/00/1066356700.db2.gz BYNHNSLNOGBMPB-MRXNPFEDSA-N 0 0 453.219 4.827 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)c1 ZINC001361107831 1066356815 /nfs/dbraw/zinc/35/68/15/1066356815.db2.gz QPESSQJRDOYBEM-WBVHZDCISA-N 0 0 476.444 4.753 20 0 JJADRN O=C(c1cc(S(=O)(=O)C2CCCC2)ccc1F)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455071278 1066357195 /nfs/dbraw/zinc/35/71/95/1066357195.db2.gz YWYDQBMTFKRQBG-UHFFFAOYSA-N 0 0 450.963 4.610 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCO[C@H](c3cc(F)c(Cl)cc3Cl)C1)=C2 ZINC001443725781 1066357258 /nfs/dbraw/zinc/35/72/58/1066357258.db2.gz JRLHYYHVSXMTDE-FQEVSTJZSA-N 0 0 452.309 4.907 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361108382 1066357634 /nfs/dbraw/zinc/35/76/34/1066357634.db2.gz XDAGJYQWMDJDDA-WOJBJXKFSA-N 0 0 457.619 4.623 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCS1 ZINC001455079449 1066358004 /nfs/dbraw/zinc/35/80/04/1066358004.db2.gz XKBBKVYIIGVZSV-UZUQRXQVSA-N 0 0 452.620 4.904 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)OC ZINC001545961473 1066357860 /nfs/dbraw/zinc/35/78/60/1066357860.db2.gz WESQYGAXVBCPDF-MSOLQXFVSA-N 0 0 491.455 4.642 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001361109681 1066357944 /nfs/dbraw/zinc/35/79/44/1066357944.db2.gz DJJUVOMEUOQYGP-FXAWDEMLSA-N 0 0 452.521 4.554 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001361109682 1066358020 /nfs/dbraw/zinc/35/80/20/1066358020.db2.gz DJJUVOMEUOQYGP-PXNSSMCTSA-N 0 0 452.521 4.554 20 0 JJADRN Cc1ccc2[nH]c(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)nc2c1 ZINC001361109045 1066358035 /nfs/dbraw/zinc/35/80/35/1066358035.db2.gz MYSWHFIFSSVOMJ-QGZVFWFLSA-N 0 0 457.962 4.500 20 0 JJADRN Cc1ccc2[nH]c(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)nc2c1 ZINC001361109044 1066358070 /nfs/dbraw/zinc/35/80/70/1066358070.db2.gz MYSWHFIFSSVOMJ-KRWDZBQOSA-N 0 0 457.962 4.500 20 0 JJADRN COc1ccc(C2CC2)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC001455078855 1066358080 /nfs/dbraw/zinc/35/80/80/1066358080.db2.gz NTJRKERSTOUWJA-UHFFFAOYSA-N 0 0 458.486 4.904 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001455075629 1066358126 /nfs/dbraw/zinc/35/81/26/1066358126.db2.gz ZIXZNFIXEBNPCZ-INIZCTEOSA-N 0 0 450.004 4.507 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)nc21 ZINC001455080643 1066358450 /nfs/dbraw/zinc/35/84/50/1066358450.db2.gz HJPQSRZILWOLOL-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)NOCCCC(F)(F)F)c1 ZINC001455083068 1066358490 /nfs/dbraw/zinc/35/84/90/1066358490.db2.gz AVHDVOVMBBUCQA-UHFFFAOYSA-N 0 0 459.262 4.634 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)c1 ZINC001361109811 1066358427 /nfs/dbraw/zinc/35/84/27/1066358427.db2.gz GHFVVDDFNSPODD-FYYLOGMGSA-N 0 0 499.656 4.599 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001361109684 1066358501 /nfs/dbraw/zinc/35/85/01/1066358501.db2.gz DJJUVOMEUOQYGP-YLJYHZDGSA-N 0 0 452.521 4.554 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)cs1 ZINC001361109818 1066358531 /nfs/dbraw/zinc/35/85/31/1066358531.db2.gz GLTIRBHWPYOVAR-CVDCTZTESA-N 0 0 469.655 4.661 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001455083642 1066358532 /nfs/dbraw/zinc/35/85/32/1066358532.db2.gz XEDXHXGBUWPWHL-FQEVSTJZSA-N 0 0 452.636 4.774 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109843 1066358788 /nfs/dbraw/zinc/35/87/88/1066358788.db2.gz HLNCMMAUORLLLQ-GOTSBHOMSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109842 1066358824 /nfs/dbraw/zinc/35/88/24/1066358824.db2.gz HLNCMMAUORLLLQ-DHIUTWEWSA-N 0 0 450.631 4.907 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001443729284 1066358902 /nfs/dbraw/zinc/35/89/02/1066358902.db2.gz IWNGEBIOYVZEKP-NSHDSACASA-N 0 0 456.356 4.580 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001443728407 1066358951 /nfs/dbraw/zinc/35/89/51/1066358951.db2.gz JCQDETZWKOOJKG-QGZVFWFLSA-N 0 0 453.421 4.632 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109845 1066358914 /nfs/dbraw/zinc/35/89/14/1066358914.db2.gz HLNCMMAUORLLLQ-XZOQPEGZSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001361109829 1066359060 /nfs/dbraw/zinc/35/90/60/1066359060.db2.gz GWZGDVHJSBEJIF-NRFANRHFSA-N 0 0 485.673 4.994 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N(C)Cc3ccsc3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110350 1066359321 /nfs/dbraw/zinc/35/93/21/1066359321.db2.gz NAMOZBMXOQAMGX-NBGIEHNGSA-N 0 0 470.639 4.793 20 0 JJADRN C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)cs1 ZINC001443730568 1066359379 /nfs/dbraw/zinc/35/93/79/1066359379.db2.gz QUKSYLIGLFMXFR-ZBSNKRKSSA-N 0 0 457.459 4.968 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)cc2ccccc21 ZINC001455095886 1066359630 /nfs/dbraw/zinc/35/96/30/1066359630.db2.gz ATDHNVZNCGFLNL-UHFFFAOYSA-N 0 0 451.523 4.550 20 0 JJADRN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443730900 1066359739 /nfs/dbraw/zinc/35/97/39/1066359739.db2.gz SAHQTZLEVLFNHN-MRXNPFEDSA-N 0 0 454.310 4.685 20 0 JJADRN Cc1ccccc1OCCCNC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001443731528 1066359829 /nfs/dbraw/zinc/35/98/29/1066359829.db2.gz NXEGAHJQTOHQOH-OAQYLSRUSA-N 0 0 452.551 4.762 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110586 1066359939 /nfs/dbraw/zinc/35/99/39/1066359939.db2.gz QITBLQIBVCTTBW-OREGWCPLSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110733 1066360148 /nfs/dbraw/zinc/36/01/48/1066360148.db2.gz RHNXEBWWLUFXRZ-MBSDFSHPSA-N 0 0 468.564 4.782 20 0 JJADRN CN(C[C@H]1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1)C(=O)OC(C)(C)C ZINC001443735032 1066360793 /nfs/dbraw/zinc/36/07/93/1066360793.db2.gz XOSGDOGLZPLGJA-GFCCVEGCSA-N 0 0 451.778 4.741 20 0 JJADRN CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C1(C)C ZINC001361111122 1066360913 /nfs/dbraw/zinc/36/09/13/1066360913.db2.gz QCYSTIZDCPQCCN-CZUORRHYSA-N 0 0 456.151 4.874 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccn3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546068672 1066360994 /nfs/dbraw/zinc/36/09/94/1066360994.db2.gz UBESTQRJDQTOPP-JOCHJYFZSA-N 0 0 456.388 4.786 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 ZINC001455103035 1066361048 /nfs/dbraw/zinc/36/10/48/1066361048.db2.gz SXRFTRCZKORQSL-HHHXNRCGSA-N 0 0 458.643 4.815 20 0 JJADRN CN(C[C@H]1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)C1)C(=O)OC(C)(C)C ZINC001443735638 1066361185 /nfs/dbraw/zinc/36/11/85/1066361185.db2.gz YFPHJOLGRMPMMZ-MRXNPFEDSA-N 0 0 456.505 4.722 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc2cnccc2o1 ZINC001455104976 1066361315 /nfs/dbraw/zinc/36/13/15/1066361315.db2.gz GMWHZGVHLMBMDU-AWEZNQCLSA-N 0 0 455.923 4.773 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001455104842 1066361334 /nfs/dbraw/zinc/36/13/34/1066361334.db2.gz HDMANJJXNBJMQP-VFNWGFHPSA-N 0 0 450.539 4.917 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c(C(F)F)n1 ZINC001455103890 1066361397 /nfs/dbraw/zinc/36/13/97/1066361397.db2.gz WLCREJJCPVGEQV-QHCPKHFHSA-N 0 0 456.578 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001455103854 1066361527 /nfs/dbraw/zinc/36/15/27/1066361527.db2.gz WHAXQWJYUOSMRV-SSOJOUAXSA-N 0 0 454.652 4.780 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)c1 ZINC001443738514 1066361413 /nfs/dbraw/zinc/36/14/13/1066361413.db2.gz XQTCTLCCLPFNHC-OAHLLOKOSA-N 0 0 451.792 4.939 20 0 JJADRN COCC1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CC1 ZINC001443752434 1066361899 /nfs/dbraw/zinc/36/18/99/1066361899.db2.gz OBEUBXYZEJZBGS-UHFFFAOYSA-N 0 0 456.999 4.565 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC001443752098 1066361919 /nfs/dbraw/zinc/36/19/19/1066361919.db2.gz MMVRAIIICJUQEN-UHFFFAOYSA-N 0 0 457.574 4.642 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N[C@H]3COc4cccc(Br)c4C3)c(C)c2c1 ZINC001455108565 1066362196 /nfs/dbraw/zinc/36/21/96/1066362196.db2.gz JZBKMSLTVBFDNI-MRXNPFEDSA-N 0 0 456.336 4.759 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1C(=O)c1ccccc1 ZINC001455111343 1066362707 /nfs/dbraw/zinc/36/27/07/1066362707.db2.gz WPIFSEQGPPZFLS-HXUWFJFHSA-N 0 0 457.530 4.809 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cccnc3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361112246 1066362916 /nfs/dbraw/zinc/36/29/16/1066362916.db2.gz QDLCWNBWOWXINM-UHFFFAOYSA-N 0 0 468.483 4.626 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455114909 1066362914 /nfs/dbraw/zinc/36/29/14/1066362914.db2.gz SLIUOMVZWFMXQK-KRWDZBQOSA-N 0 0 452.551 4.711 20 0 JJADRN Cn1c(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cc2cc(C(F)(F)F)ccc21 ZINC001455113398 1066362953 /nfs/dbraw/zinc/36/29/53/1066362953.db2.gz ZAQIHCBLKUVMKT-ZDUSSCGKSA-N 0 0 453.258 4.693 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361112002 1066363047 /nfs/dbraw/zinc/36/30/47/1066363047.db2.gz IJNZPJNLCFIEND-RBUKOAKNSA-N 0 0 462.520 4.796 20 0 JJADRN C[C@@H](CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1)N(C)C(=O)OC(C)(C)C ZINC001443761577 1066363037 /nfs/dbraw/zinc/36/30/37/1066363037.db2.gz ADYDMLGTJVSRQR-NSHDSACASA-N 0 0 453.299 4.843 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760939 1066363165 /nfs/dbraw/zinc/36/31/65/1066363165.db2.gz WZIZMKKGUSSDJF-FNZWTVRRSA-N 0 0 458.606 4.703 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCCc1nc(C)cs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760143 1066363255 /nfs/dbraw/zinc/36/32/55/1066363255.db2.gz SPROJVHIMFATQQ-DFBJGRDBSA-N 0 0 455.668 4.786 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361112469 1066363442 /nfs/dbraw/zinc/36/34/42/1066363442.db2.gz XPMVLJVTMOACOL-QHCPKHFHSA-N 0 0 479.625 4.964 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCOc2cccc(C)c2)no1 ZINC001361112536 1066363532 /nfs/dbraw/zinc/36/35/32/1066363532.db2.gz ZSDMHLAFXQGOMD-UHFFFAOYSA-N 0 0 488.411 4.937 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361112950 1066363961 /nfs/dbraw/zinc/36/39/61/1066363961.db2.gz LEOCNQFRDGWIRT-HUUCEWRRSA-N 0 0 458.356 4.954 20 0 JJADRN CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C(=O)c1ccccc1 ZINC001455126124 1066364141 /nfs/dbraw/zinc/36/41/41/1066364141.db2.gz ZZDPFEFUTUJNBB-VWLOTQADSA-N 0 0 453.542 4.868 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCO3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361113328 1066364330 /nfs/dbraw/zinc/36/43/30/1066364330.db2.gz IZPOYXXHPNAFEI-FCHUYYIVSA-N 0 0 487.645 4.503 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Cc2ccc(Br)c(Cl)c2)n1 ZINC001361113467 1066364356 /nfs/dbraw/zinc/36/43/56/1066364356.db2.gz ZGHNZUCSFNJNQF-LLVKDONJSA-N 0 0 450.720 4.581 20 0 JJADRN Cc1c[nH]c(C2(NC(=O)c3cccc(NC(=O)c4ccc(Br)cc4)c3)CCC2)n1 ZINC001455137839 1066364738 /nfs/dbraw/zinc/36/47/38/1066364738.db2.gz RDOADCLZGLFFAK-UHFFFAOYSA-N 0 0 453.340 4.542 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)NC3(c4ccccc4)CN(C(=O)OC(C)(C)C)C3)cs2)o1 ZINC001455134104 1066364824 /nfs/dbraw/zinc/36/48/24/1066364824.db2.gz BCNMWJACYUCNHZ-UHFFFAOYSA-N 0 0 453.564 4.516 20 0 JJADRN C[C@@H](CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)N(C)C(=O)OC(C)(C)C ZINC001443769922 1066365018 /nfs/dbraw/zinc/36/50/18/1066365018.db2.gz OSBVGFJLDXLVME-OXJNMPFZSA-N 0 0 456.002 4.768 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 ZINC001443768349 1066365105 /nfs/dbraw/zinc/36/51/05/1066365105.db2.gz FZZGDGRJBCJZPN-UHFFFAOYSA-N 0 0 457.592 4.934 20 0 JJADRN Cc1nc2c(s1)[C@@H](NC(=O)c1cc(S(=O)(=O)Nc3ccc(F)cc3)ccc1C)CCC2 ZINC001546069283 1066365165 /nfs/dbraw/zinc/36/51/65/1066365165.db2.gz JBQQBMBKJUGXSM-FQEVSTJZSA-N 0 0 459.568 4.507 20 0 JJADRN Cc1cc2cc(Cn3c(C(C)C)nnc3N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)ccc2[nH]1 ZINC001361113694 1066365075 /nfs/dbraw/zinc/36/50/75/1066365075.db2.gz PHGGCKIVTWSPMX-AZUAARDMSA-N 0 0 466.630 4.979 20 0 JJADRN Cc1cc(C(=O)N2CC(O)(c3ccnn3C)C2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001455140095 1066365271 /nfs/dbraw/zinc/36/52/71/1066365271.db2.gz ZTJNWOOWSHJHDR-OAHLLOKOSA-N 0 0 459.377 4.552 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001443770048 1066365530 /nfs/dbraw/zinc/36/55/30/1066365530.db2.gz KVTAXHYPAAWCCF-UYAOXDASSA-N 0 0 478.655 4.766 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C ZINC001443770218 1066365664 /nfs/dbraw/zinc/36/56/64/1066365664.db2.gz NOQKOJLDEDHVRT-CJFMBICVSA-N 0 0 450.595 4.705 20 0 JJADRN C[C@@H]1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114849 1066365920 /nfs/dbraw/zinc/36/59/20/1066365920.db2.gz SNAVBLGAWBMMFL-IFMALSPDSA-N 0 0 455.599 4.606 20 0 JJADRN C[C@@H]1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114850 1066366011 /nfs/dbraw/zinc/36/60/11/1066366011.db2.gz SNAVBLGAWBMMFL-IRLDBZIGSA-N 0 0 455.599 4.606 20 0 JJADRN C[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)Oc1ccc(Br)cc1 ZINC001361114628 1066366110 /nfs/dbraw/zinc/36/61/10/1066366110.db2.gz NWBSAPBTHZHWFR-BTCOZLQPSA-N 0 0 481.431 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccoc2Br)CC1 ZINC001455157673 1066366231 /nfs/dbraw/zinc/36/62/31/1066366231.db2.gz XRVNHYZZYQFZEP-INIZCTEOSA-N 0 0 453.377 4.684 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c2ccc(F)cc2Cl)cc1 ZINC001443770547 1066366251 /nfs/dbraw/zinc/36/62/51/1066366251.db2.gz VFQULHUZHUSMAU-AHWVRZQESA-N 0 0 450.941 4.841 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CC3(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001443770478 1066366400 /nfs/dbraw/zinc/36/64/00/1066366400.db2.gz SUPPMSHVONAXBA-QYXIYQDXSA-N 0 0 450.579 4.659 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001545962286 1066367283 /nfs/dbraw/zinc/36/72/83/1066367283.db2.gz ADZJSMUQIZJBQQ-LJQANCHMSA-N 0 0 473.618 4.545 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCCCc3ccccc3)CC2)s1 ZINC001361115404 1066367117 /nfs/dbraw/zinc/36/71/17/1066367117.db2.gz JFMMHIDWDPMZGF-UHFFFAOYSA-N 0 0 465.667 4.931 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@H](C)Cc3cccs3)CC2)s1 ZINC001361116419 1066367573 /nfs/dbraw/zinc/36/75/73/1066367573.db2.gz AWNNTAAFCNZBLZ-GOSISDBHSA-N 0 0 471.696 4.749 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC001361116740 1066367939 /nfs/dbraw/zinc/36/79/39/1066367939.db2.gz MXUNLYNAAWPCLL-OAQYLSRUSA-N 0 0 473.612 4.963 20 0 JJADRN C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)CC1SC(=N)NC1=O ZINC001455177002 1066368198 /nfs/dbraw/zinc/36/81/98/1066368198.db2.gz KSUSCPGEEJWEIZ-GTNSWQLSSA-N 0 0 452.363 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001546069697 1066368526 /nfs/dbraw/zinc/36/85/26/1066368526.db2.gz SJMLDMXUWAZRCN-GDBMZVCRSA-N 0 0 452.477 4.913 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)c1C ZINC001361117273 1066368647 /nfs/dbraw/zinc/36/86/47/1066368647.db2.gz CFHBQOPVICXLGQ-IBGZPJMESA-N 0 0 450.398 4.837 20 0 JJADRN 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450.297 4.519 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)c1 ZINC001455258999 1066377056 /nfs/dbraw/zinc/37/70/56/1066377056.db2.gz TUQNLDOAOXZSGV-UHFFFAOYSA-N 0 0 454.409 4.639 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cccs3)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001361124123 1066377269 /nfs/dbraw/zinc/37/72/69/1066377269.db2.gz XMMMSJPNAYHOHF-FNZWTVRRSA-N 0 0 484.666 4.569 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCc4sc(CNC(=O)OC(C)(C)C)nc4C3)s2)o1 ZINC001455271126 1066377841 /nfs/dbraw/zinc/37/78/41/1066377841.db2.gz BSMKGTUKLWZWHW-UHFFFAOYSA-N 0 0 459.593 4.996 20 0 JJADRN CCCc1c(C(=O)N2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cnn1-c1ccc(C)cc1 ZINC001455270354 1066377863 /nfs/dbraw/zinc/37/78/63/1066377863.db2.gz XTKOIBVFPZFWEH-UHFFFAOYSA-N 0 0 452.599 4.606 20 0 JJADRN Cc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1NC(=O)C(C)(C)C ZINC001443864225 1066377971 /nfs/dbraw/zinc/37/79/71/1066377971.db2.gz HQYHEGSPSCQWNH-HZHRSRAPSA-N 0 0 456.546 4.784 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)n2)c1 ZINC001443869120 1066378407 /nfs/dbraw/zinc/37/84/07/1066378407.db2.gz KODRGLVXBJCLMM-UHFFFAOYSA-N 0 0 457.983 4.972 20 0 JJADRN Nc1c(F)c(Cl)ccc1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001443869889 1066378470 /nfs/dbraw/zinc/37/84/70/1066378470.db2.gz SSUSLRRNMPKORE-UHFFFAOYSA-N 0 0 454.857 4.566 20 0 JJADRN COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361125014 1066378847 /nfs/dbraw/zinc/37/88/47/1066378847.db2.gz OQCQDMRIAVUZKC-KRWDZBQOSA-N 0 0 452.555 4.535 20 0 JJADRN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c2ccccc21 ZINC001455277378 1066378864 /nfs/dbraw/zinc/37/88/64/1066378864.db2.gz GVNDXTYBPDBIGI-CTNGQTDRSA-N 0 0 452.894 4.625 20 0 JJADRN Cc1ccc(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)cc1C(F)(F)F ZINC001455276292 1066378999 /nfs/dbraw/zinc/37/89/99/1066378999.db2.gz VJLDJCAAUFMTFF-UHFFFAOYSA-N 0 0 455.502 4.694 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC(=O)NC2CCCCC2)c1 ZINC001361125694 1066379169 /nfs/dbraw/zinc/37/91/69/1066379169.db2.gz ANNLXMVQKXFDDI-VXKWHMMOSA-N 0 0 497.684 4.742 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873640 1066379456 /nfs/dbraw/zinc/37/94/56/1066379456.db2.gz AFGBBDZDBLFMKY-INIZCTEOSA-N 0 0 457.899 4.951 20 0 JJADRN COC(=O)[C@@H]1C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c2ccccc21 ZINC001455277852 1066379401 /nfs/dbraw/zinc/37/94/01/1066379401.db2.gz LRTRAWIQIXJQDA-VSKRKVRLSA-N 0 0 458.599 4.616 20 0 JJADRN CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)[C@@H]1COCCN1CC(F)F ZINC001455279215 1066379504 /nfs/dbraw/zinc/37/95/04/1066379504.db2.gz CNKGACLFVFKAHN-IBGZPJMESA-N 0 0 456.892 4.586 20 0 JJADRN CCN(C(=O)c1nscc1I)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001443876864 1066379850 /nfs/dbraw/zinc/37/98/50/1066379850.db2.gz VDEVMVLBIYDZES-SECBINFHSA-N 0 0 454.255 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCCc1ccc(Br)cc1F ZINC001443875827 1066380043 /nfs/dbraw/zinc/38/00/43/1066380043.db2.gz JKJGOZJVTCKTQE-MAUKXSAKSA-N 0 0 457.384 4.721 20 0 JJADRN CCc1ccccc1Oc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(Cl)c1 ZINC001455282862 1066380168 /nfs/dbraw/zinc/38/01/68/1066380168.db2.gz HQAGJTDNDSPWPR-UHFFFAOYSA-N 0 0 455.942 4.796 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)CC(C)(C)CC(=O)c3ccccc3)CC2)n1 ZINC001455286706 1066380464 /nfs/dbraw/zinc/38/04/64/1066380464.db2.gz IKCGWGDQWKNFRW-UHFFFAOYSA-N 0 0 456.608 4.790 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361125921 1066380816 /nfs/dbraw/zinc/38/08/16/1066380816.db2.gz HIXQSDYQLJFNLI-FQEVSTJZSA-N 0 0 480.657 4.957 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546071125 1066381216 /nfs/dbraw/zinc/38/12/16/1066381216.db2.gz WGQRQJADWKMRKF-KNQAVFIVSA-N 0 0 463.420 4.966 20 0 JJADRN Cc1cc(C)c(-c2cc(NC(=O)[C@@H](NC(=O)NCc3ccc(F)cc3)C(C)C)n[nH]2)cc1C ZINC001455299564 1066381541 /nfs/dbraw/zinc/38/15/41/1066381541.db2.gz DYSBNTQJESSMRI-QHCPKHFHSA-N 0 0 451.546 4.604 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)CSc1cccc[n+]1[O-] ZINC001455300431 1066382088 /nfs/dbraw/zinc/38/20/88/1066382088.db2.gz DINJDFITJGBFRC-UHFFFAOYSA-N 0 0 450.894 4.795 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN(C)C(=O)[C@@H]2CCCN2c2ncccn2)ccc1F ZINC001455303017 1066382369 /nfs/dbraw/zinc/38/23/69/1066382369.db2.gz NJZLARUHHAZYBY-NRFANRHFSA-N 0 0 454.933 4.997 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC001455312961 1066382583 /nfs/dbraw/zinc/38/25/83/1066382583.db2.gz FGQHONABGMCTCW-SFHVURJKSA-N 0 0 452.686 4.892 20 0 JJADRN CCN(CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)Cc1ccccc1Cl ZINC001443896485 1066382692 /nfs/dbraw/zinc/38/26/92/1066382692.db2.gz SZCOUYUPJIBBIQ-HXUWFJFHSA-N 0 0 452.401 4.735 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2C[C@@H](C)S[C@@H](C)C2)cnn1C ZINC001361126231 1066383117 /nfs/dbraw/zinc/38/31/17/1066383117.db2.gz OUXCBYKCDZGXOW-KDURUIRLSA-N 0 0 468.671 4.709 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H](C)N2CCOCC2)c1 ZINC001361126243 1066383188 /nfs/dbraw/zinc/38/31/88/1066383188.db2.gz OZILTCXQUJJYFJ-BJKOFHAPSA-N 0 0 483.701 4.882 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C3N=NC(=S)O3)cc2)cc1 ZINC001443900527 1066383483 /nfs/dbraw/zinc/38/34/83/1066383483.db2.gz VVZUMYVLJQYFJY-NHCUHLMSSA-N 0 0 453.564 4.934 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc(C3N=NC(=S)O3)cc2)cc1 ZINC001443900530 1066383501 /nfs/dbraw/zinc/38/35/01/1066383501.db2.gz VVZUMYVLJQYFJY-RTWAWAEBSA-N 0 0 453.564 4.934 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443902878 1066383518 /nfs/dbraw/zinc/38/35/18/1066383518.db2.gz DRPRBCKGYSYYPV-OALUTQOASA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2CCOCC2)c1 ZINC001361126270 1066383732 /nfs/dbraw/zinc/38/37/32/1066383732.db2.gz PFAIOSFPTKPJBY-XMSQKQJNSA-N 0 0 496.574 4.872 20 0 JJADRN Cc1cc(Cl)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1C ZINC001455339949 1066383692 /nfs/dbraw/zinc/38/36/92/1066383692.db2.gz KNPNRJLRKIRRRS-UHFFFAOYSA-N 0 0 458.986 4.581 20 0 JJADRN Cc1nc(C(C)C)sc1C(=O)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001455346997 1066383793 /nfs/dbraw/zinc/38/37/93/1066383793.db2.gz ITDKPUZPSQAJEN-INIZCTEOSA-N 0 0 457.596 4.803 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001443905928 1066383974 /nfs/dbraw/zinc/38/39/74/1066383974.db2.gz CFOHQUWIIBRZEM-VOTSOKGWSA-N 0 0 458.412 4.711 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 ZINC001361126432 1066384207 /nfs/dbraw/zinc/38/42/07/1066384207.db2.gz RPXSTLKUUYLFSO-JOCHJYFZSA-N 0 0 497.684 4.597 20 0 JJADRN Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001455347228 1066384336 /nfs/dbraw/zinc/38/43/36/1066384336.db2.gz KJUXUOWSTLXVBX-UHFFFAOYSA-N 0 0 454.449 4.531 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC001443913514 1066384667 /nfs/dbraw/zinc/38/46/67/1066384667.db2.gz IHANRGMKWHLTPW-UHFFFAOYSA-N 0 0 453.608 4.914 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001361126474 1066384809 /nfs/dbraw/zinc/38/48/09/1066384809.db2.gz SDJSMQYJBKUYSO-ZBLYBZFDSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361126528 1066385482 /nfs/dbraw/zinc/38/54/82/1066385482.db2.gz UFXQBRBCSNQIFT-BGYRXZFFSA-N 0 0 455.647 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CNC(=O)C(C)(C)c3ccccc3Cl)C2)CC1 ZINC001455396320 1066385713 /nfs/dbraw/zinc/38/57/13/1066385713.db2.gz NPEIDFMPMGTWLP-QGZVFWFLSA-N 0 0 451.007 4.540 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CNC(=O)C(C)(C)c3ccccc3Cl)C2)CC1 ZINC001455396316 1066385941 /nfs/dbraw/zinc/38/59/41/1066385941.db2.gz NPEIDFMPMGTWLP-KRWDZBQOSA-N 0 0 451.007 4.540 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)cc21 ZINC001455393377 1066385956 /nfs/dbraw/zinc/38/59/56/1066385956.db2.gz GTJBMIHNRGSVJH-QFIPXVFZSA-N 0 0 455.400 4.833 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)C3)n2CCOc2ncccc2F)c1 ZINC001361126753 1066386003 /nfs/dbraw/zinc/38/60/03/1066386003.db2.gz ZQFZBWQUEBRMSW-LJQANCHMSA-N 0 0 453.562 4.748 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001443919702 1066386002 /nfs/dbraw/zinc/38/60/02/1066386002.db2.gz RUGSVXSBVSWLCS-RLLQIKCJSA-N 0 0 467.651 4.612 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCC(C)C)c1 ZINC001361126872 1066386352 /nfs/dbraw/zinc/38/63/52/1066386352.db2.gz AGRSIDJMMWSCAS-UHFFFAOYSA-N 0 0 467.658 4.784 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2ccn(C)n2)c1 ZINC001361126910 1066386365 /nfs/dbraw/zinc/38/63/65/1066386365.db2.gz BSCVXIPRURARMP-GOSISDBHSA-N 0 0 476.547 4.849 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361126906 1066386378 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GBPLMCDPFFBXHR-OAQYLSRUSA-N 0 0 456.631 4.721 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCOCC2)C1 ZINC001546072467 1066388085 /nfs/dbraw/zinc/38/80/85/1066388085.db2.gz FUCXWJKFVDQWGI-VWLOTQADSA-N 0 0 475.678 4.836 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001361127383 1066388142 /nfs/dbraw/zinc/38/81/42/1066388142.db2.gz INCQYDGCKAWHQL-HFZDXXHNSA-N 0 0 456.631 4.599 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C2CC2)c1 ZINC001361127392 1066388415 /nfs/dbraw/zinc/38/84/15/1066388415.db2.gz INWHYSCSGDANFL-HXUWFJFHSA-N 0 0 453.631 4.612 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001361127515 1066388562 /nfs/dbraw/zinc/38/85/62/1066388562.db2.gz KLXTXMWQUQQRBV-DEOSSOPVSA-N 0 0 495.451 4.994 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)C1 ZINC001546072536 1066388573 /nfs/dbraw/zinc/38/85/73/1066388573.db2.gz GOYIPLRZFJCQMR-HOYKHHGWSA-N 0 0 492.068 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MJHQLAVXNYTWAT-ZIAGYGMSSA-N 0 0 457.518 4.688 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001455518258 1066403449 /nfs/dbraw/zinc/40/34/49/1066403449.db2.gz SDBYOTULCPJEGC-FUHWJXTLSA-N 0 0 458.521 4.777 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Cl)ccc3I)C2)cc1 ZINC001361132804 1066403861 /nfs/dbraw/zinc/40/38/61/1066403861.db2.gz BXOWDNYMHVXHLA-HNNXBMFYSA-N 0 0 454.739 4.652 20 0 JJADRN C[C@H](CC(N)=O)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001455524066 1066403872 /nfs/dbraw/zinc/40/38/72/1066403872.db2.gz YHEZPLRJZHATEC-LLVKDONJSA-N 0 0 457.727 4.504 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545964283 1066404637 /nfs/dbraw/zinc/40/46/37/1066404637.db2.gz AXTZEUKWQXTWMS-HLLBOEOZSA-N 0 0 481.066 4.627 20 0 JJADRN CO[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(Cl)cc1 ZINC001361133658 1066404877 /nfs/dbraw/zinc/40/48/77/1066404877.db2.gz XPWRENWHGLMTFD-QGZVFWFLSA-N 0 0 452.711 4.545 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361133933 1066404935 /nfs/dbraw/zinc/40/49/35/1066404935.db2.gz DNWIZQCPVVKCGS-NRFANRHFSA-N 0 0 490.652 4.870 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC001444092149 1066404933 /nfs/dbraw/zinc/40/49/33/1066404933.db2.gz LCNLMSSXAUNWER-NSHDSACASA-N 0 0 455.809 4.646 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)cc1 ZINC001444093585 1066404946 /nfs/dbraw/zinc/40/49/46/1066404946.db2.gz OHZLXSHGBRRTPO-GOSISDBHSA-N 0 0 451.596 4.920 20 0 JJADRN CSc1cc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)ccc1Br ZINC001444095196 1066405668 /nfs/dbraw/zinc/40/56/68/1066405668.db2.gz SLPBYKSMIABFMJ-ZDUSSCGKSA-N 0 0 455.447 4.652 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001361134354 1066405632 /nfs/dbraw/zinc/40/56/32/1066405632.db2.gz JATWEAFYPJEQOG-ZACQAIPSSA-N 0 0 458.404 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)COc3ccc(C(=O)c4ccccc4)cc3)CCC[C@@H]12 ZINC001455532416 1066405723 /nfs/dbraw/zinc/40/57/23/1066405723.db2.gz MBHWWNUNNSSVCC-QDPGVEIFSA-N 0 0 478.589 4.592 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001361134458 1066406207 /nfs/dbraw/zinc/40/62/07/1066406207.db2.gz JVOQZIZVDSCRGJ-REWPJTCUSA-N 0 0 465.667 4.784 20 0 JJADRN CC(C)(CO)c1nc2cc(C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)ccc2[nH]1 ZINC001444099735 1066406454 /nfs/dbraw/zinc/40/64/54/1066406454.db2.gz NDJPHRUWWFBAMJ-JGCGQSQUSA-N 0 0 453.608 4.667 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001444115528 1066407750 /nfs/dbraw/zinc/40/77/50/1066407750.db2.gz LFOSKHKQGCMTFD-UHFFFAOYSA-N 0 0 456.999 4.590 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545964459 1066407783 /nfs/dbraw/zinc/40/77/83/1066407783.db2.gz DZMODZKIBDVKHE-VQIMIIECSA-N 0 0 480.371 4.789 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001444107694 1066407821 /nfs/dbraw/zinc/40/78/21/1066407821.db2.gz AKHMAZUQDUCNIS-WKRVVKTRSA-N 0 0 451.569 4.654 20 0 JJADRN C[C@H]1Cc2cc(CNC(=O)c3ccc(NC(=O)c4ccc(Br)o4)cc3)ccc2O1 ZINC001455537104 1066407669 /nfs/dbraw/zinc/40/76/69/1066407669.db2.gz LXVGBDGBQFLNMV-ZDUSSCGKSA-N 0 0 455.308 4.548 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ncc(Cc3ccccc3)o2)CC1 ZINC001444109287 1066407831 /nfs/dbraw/zinc/40/78/31/1066407831.db2.gz ZYJADRUHNMEXAH-KRWDZBQOSA-N 0 0 454.368 4.547 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccc(C(F)(F)F)cc3[nH]1)O2 ZINC001455538869 1066407848 /nfs/dbraw/zinc/40/78/48/1066407848.db2.gz KBTJIGBKZMDKLL-DRCDNIGYSA-N 0 0 452.473 4.586 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001361135088 1066408503 /nfs/dbraw/zinc/40/85/03/1066408503.db2.gz PDOUZOFLYHLBED-QHCPKHFHSA-N 0 0 467.702 4.918 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CC=C(C(C)(C)C)CC2)N2CCOCC2)cc1 ZINC001361135161 1066408595 /nfs/dbraw/zinc/40/85/95/1066408595.db2.gz KIZPQAMSAFTHBF-DEOSSOPVSA-N 0 0 451.659 4.966 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)C1 ZINC001546073557 1066408854 /nfs/dbraw/zinc/40/88/54/1066408854.db2.gz VTWDUGAILDCNTI-UQBPGWFLSA-N 0 0 463.667 4.692 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCOC)C1 ZINC001546073672 1066409365 /nfs/dbraw/zinc/40/93/65/1066409365.db2.gz XHKIQSCFYYYZRR-RUZDIDTESA-N 0 0 463.667 4.836 20 0 JJADRN CC[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@H](O)c1ccccc1 ZINC001455547731 1066409432 /nfs/dbraw/zinc/40/94/32/1066409432.db2.gz QMEXRVLDSPYVJF-OALUTQOASA-N 0 0 455.908 4.599 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccccc2C)N2CCOCC2)o1 ZINC001361135369 1066409414 /nfs/dbraw/zinc/40/94/14/1066409414.db2.gz MMVIYHNAKFNNBJ-GMAHTHKFSA-N 0 0 451.615 4.882 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cn1C ZINC001361136121 1066410260 /nfs/dbraw/zinc/41/02/60/1066410260.db2.gz LTTNVUZMFYFIEA-UHFFFAOYSA-N 0 0 456.955 4.875 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC[C@@H]3C[C@H]3C(F)(F)F)ccc2C)c(C)c1 ZINC001455559427 1066410395 /nfs/dbraw/zinc/41/03/95/1066410395.db2.gz NTSIKUWUNBBYKG-ZWKOTPCHSA-N 0 0 454.514 4.649 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130340 1066410653 /nfs/dbraw/zinc/41/06/53/1066410653.db2.gz IIZPDVJPPAZBEB-HSZRJFAPSA-N 0 0 458.524 4.938 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001361136526 1066410836 /nfs/dbraw/zinc/41/08/36/1066410836.db2.gz XYYFWYPFVAIGAL-HXUWFJFHSA-N 0 0 491.640 4.683 20 0 JJADRN CNc1snc(C)c1C(=O)Nc1cc(I)cc(C(F)(F)F)c1C ZINC001455565663 1066410888 /nfs/dbraw/zinc/41/08/88/1066410888.db2.gz ASGDHRNKAIYEID-UHFFFAOYSA-N 0 0 455.243 4.677 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001455566479 1066411685 /nfs/dbraw/zinc/41/16/85/1066411685.db2.gz DIHOQJPEIRRAKR-FKBYEOEOSA-N 0 0 458.599 4.585 20 0 JJADRN O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC001455566962 1066411917 /nfs/dbraw/zinc/41/19/17/1066411917.db2.gz CLOGRMULXHMVDU-VWLOTQADSA-N 0 0 456.586 4.714 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c1 ZINC001361136908 1066411873 /nfs/dbraw/zinc/41/18/73/1066411873.db2.gz XIHVZQLWMXURMW-UHFFFAOYSA-N 0 0 458.942 4.599 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCSC2)C1)OC ZINC001545964755 1066412346 /nfs/dbraw/zinc/41/23/46/1066412346.db2.gz JRXIPCAKOGELCM-MGPUTAFESA-N 0 0 469.424 4.605 20 0 JJADRN Cc1c(NC(=O)Cc2[nH]nc3ccccc32)cc(I)cc1C(F)(F)F ZINC001455570366 1066412359 /nfs/dbraw/zinc/41/23/59/1066412359.db2.gz SWCUQGUGQAXDTQ-UHFFFAOYSA-N 0 0 459.209 4.676 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)cn2)c1C ZINC001444137073 1066412492 /nfs/dbraw/zinc/41/24/92/1066412492.db2.gz LUFOVWNRQMMBJO-UHFFFAOYSA-N 0 0 453.564 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCCNC(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC001455585516 1066413133 /nfs/dbraw/zinc/41/31/33/1066413133.db2.gz QMWOVKOADIGMMC-UHFFFAOYSA-N 0 0 457.615 4.972 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CCSC[C@H]1c1ccccc1 ZINC001444138584 1066413242 /nfs/dbraw/zinc/41/32/42/1066413242.db2.gz PMAQUNOVIXMYIT-AFMDSPMNSA-N 0 0 452.439 4.654 20 0 JJADRN O=C(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001455586053 1066413285 /nfs/dbraw/zinc/41/32/85/1066413285.db2.gz QYXGEIDOAOYCPN-YOEHRIQHSA-N 0 0 456.258 4.520 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001444138448 1066413279 /nfs/dbraw/zinc/41/32/79/1066413279.db2.gz OWOIRPBPLXUJEL-OAQYLSRUSA-N 0 0 455.555 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCCNC(=O)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC001455584211 1066413349 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OTVYQDBAYUVJGS-SBUREZEXSA-N 0 0 451.567 4.737 20 0 JJADRN O=C(Nc1cccc2nc[nH]c(=O)c21)c1cccnc1Sc1ccc(Br)cc1 ZINC001455607196 1066414660 /nfs/dbraw/zinc/41/46/60/1066414660.db2.gz JGMWYNDLKMHVBQ-UHFFFAOYSA-N 0 0 453.321 4.896 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3cccc(Br)c3)cn2)c1C ZINC001444141087 1066414824 /nfs/dbraw/zinc/41/48/24/1066414824.db2.gz SZWMZJZOPJWHQU-UHFFFAOYSA-N 0 0 454.324 4.622 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC001545964902 1066415562 /nfs/dbraw/zinc/41/55/62/1066415562.db2.gz MCKIHDPTMJSILB-MSOLQXFVSA-N 0 0 491.409 4.618 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2cccc(Br)c2C1)OC ZINC001545964917 1066415668 /nfs/dbraw/zinc/41/56/68/1066415668.db2.gz MKYDJECGERBYOY-OAHLLOKOSA-N 0 0 462.779 4.701 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)C1(F)F ZINC001455619637 1066415637 /nfs/dbraw/zinc/41/56/37/1066415637.db2.gz GOENLCVWWWFMLP-BXUZGUMPSA-N 0 0 459.465 4.517 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1)OC ZINC001545964970 1066416111 /nfs/dbraw/zinc/41/61/11/1066416111.db2.gz NIAMHEVNCRTPKF-LEWJYISDSA-N 0 0 455.990 4.604 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](C)C1)Oc1ccccc1F ZINC001545965020 1066416220 /nfs/dbraw/zinc/41/62/20/1066416220.db2.gz OFWCEDHKOCDRKL-AEFFLSMTSA-N 0 0 459.953 4.605 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)/C=C\c3ccc4[nH]ccc4c3)c2)cc1 ZINC001444146317 1066417119 /nfs/dbraw/zinc/41/71/19/1066417119.db2.gz JMRSNIRUXWIOKE-SDQBBNPISA-N 0 0 455.514 4.637 20 0 JJADRN C[C@H](C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001444145894 1066417173 /nfs/dbraw/zinc/41/71/73/1066417173.db2.gz BQDAUXWMXCNUQW-IBGZPJMESA-N 0 0 450.579 4.975 20 0 JJADRN CO[C@H](C(=O)Nc1ccc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1)C1CCCC1 ZINC001455627325 1066417274 /nfs/dbraw/zinc/41/72/74/1066417274.db2.gz OCKPTWDPUJVRKG-NRFANRHFSA-N 0 0 456.587 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc3cc(NC(=O)[C@@H]4CCOC(C)(C)C4)ccc3[nH]2)CC1 ZINC001455629113 1066417319 /nfs/dbraw/zinc/41/73/19/1066417319.db2.gz VAMJXAQTLZOUNQ-QGZVFWFLSA-N 0 0 456.587 4.821 20 0 JJADRN CC(C)c1ccc(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001455645675 1066418134 /nfs/dbraw/zinc/41/81/34/1066418134.db2.gz LYDISLPIZPBVER-UHFFFAOYSA-N 0 0 451.611 4.793 20 0 JJADRN Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)cc(C)c1OCc1cccnc1 ZINC001444147011 1066418125 /nfs/dbraw/zinc/41/81/25/1066418125.db2.gz GGKICLYMDVJPFK-UHFFFAOYSA-N 0 0 453.583 4.845 20 0 JJADRN CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 ZINC001444150889 1066418629 /nfs/dbraw/zinc/41/86/29/1066418629.db2.gz RYCWHQMZOXYCDE-UHFFFAOYSA-N 0 0 453.608 4.606 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c1C ZINC001444148467 1066418797 /nfs/dbraw/zinc/41/87/97/1066418797.db2.gz JIEYZDHJQIRPJG-UHFFFAOYSA-N 0 0 458.628 4.535 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC001361140637 1066418788 /nfs/dbraw/zinc/41/87/88/1066418788.db2.gz CGRBRPPTPYMAFP-OALUTQOASA-N 0 0 454.567 4.886 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001444148497 1066418852 /nfs/dbraw/zinc/41/88/52/1066418852.db2.gz PNXUYCCSIJZOSF-QFIPXVFZSA-N 0 0 457.574 4.894 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)COc2ccccc2OCC(F)(F)F)cc1 ZINC001361140641 1066418927 /nfs/dbraw/zinc/41/89/27/1066418927.db2.gz CHNQSHGCDZQNCX-UHFFFAOYSA-N 0 0 455.429 4.983 20 0 JJADRN CCSc1ccccc1C(=O)NCCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC001444153995 1066419438 /nfs/dbraw/zinc/41/94/38/1066419438.db2.gz VZIFPBHAXRHBLJ-UHFFFAOYSA-N 0 0 450.560 4.868 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1nc(-c2cccc(F)c2)no1 ZINC001361140979 1066419498 /nfs/dbraw/zinc/41/94/98/1066419498.db2.gz HMGWLEWGMGOUJH-CQSZACIVSA-N 0 0 452.486 4.617 20 0 JJADRN C[C@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455648886 1066419509 /nfs/dbraw/zinc/41/95/09/1066419509.db2.gz NWZIBOYYELBISP-XRXFAXGQSA-N 0 0 481.678 4.669 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545965200 1066419542 /nfs/dbraw/zinc/41/95/42/1066419542.db2.gz RQBNANCFUSNQDZ-KRWDZBQOSA-N 0 0 461.010 4.677 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2ccccc2Sc2ccc(Br)cn2)C[C@@H]1CC ZINC001455651885 1066420212 /nfs/dbraw/zinc/42/02/12/1066420212.db2.gz PGWNKVNBOUIRQH-LHSJRXKWSA-N 0 0 481.387 4.749 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2oncc2C1)NC(=O)OC(C)(C)C ZINC001545965298 1066420279 /nfs/dbraw/zinc/42/02/79/1066420279.db2.gz VCYOFWKPHCJHII-INIZCTEOSA-N 0 0 490.967 4.592 20 0 JJADRN C[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1Br)n1ccc2ccccc2c1=O ZINC001455651612 1066420388 /nfs/dbraw/zinc/42/03/88/1066420388.db2.gz RCKUNVJAGVUMCG-LBPRGKRZSA-N 0 0 453.258 4.660 20 0 JJADRN C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc(C(C)(C)C)no1 ZINC001361141560 1066420799 /nfs/dbraw/zinc/42/07/99/1066420799.db2.gz PGZZWJQLQHYJJX-LLVKDONJSA-N 0 0 452.342 4.924 20 0 JJADRN C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc(C(C)(C)C)no1 ZINC001361141561 1066420932 /nfs/dbraw/zinc/42/09/32/1066420932.db2.gz PGZZWJQLQHYJJX-NSHDSACASA-N 0 0 452.342 4.924 20 0 JJADRN CCC[C@H](CC1CCCCC1)C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001455668775 1066421762 /nfs/dbraw/zinc/42/17/62/1066421762.db2.gz ZDWMJFVWVDUJCO-NHCUHLMSSA-N 0 0 452.636 4.678 20 0 JJADRN O=C(N1CCC[C@@H](c2ncc(Br)cn2)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001455670482 1066421842 /nfs/dbraw/zinc/42/18/42/1066421842.db2.gz WOIAFGDUIMFKCA-GFCCVEGCSA-N 0 0 455.183 4.984 20 0 JJADRN CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001455668801 1066421947 /nfs/dbraw/zinc/42/19/47/1066421947.db2.gz ZDWMJFVWVDUJCO-SFTDATJTSA-N 0 0 452.636 4.678 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545965425 1066421915 /nfs/dbraw/zinc/42/19/15/1066421915.db2.gz XJLYIGHQEXGSGF-ZWKOTPCHSA-N 0 0 495.093 4.875 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)c1 ZINC001444162938 1066422659 /nfs/dbraw/zinc/42/26/59/1066422659.db2.gz CSNGAOQZANXVOJ-UHFFFAOYSA-N 0 0 456.568 4.645 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC(F)(F)F)C1 ZINC001546074946 1066423317 /nfs/dbraw/zinc/42/33/17/1066423317.db2.gz DDZXTSMNVBWCBZ-QHCPKHFHSA-N 0 0 459.516 4.880 20 0 JJADRN CCN(CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164609 1066423500 /nfs/dbraw/zinc/42/35/00/1066423500.db2.gz ATRFSZHMJCCBQU-GOSISDBHSA-N 0 0 450.970 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC001444165695 1066424140 /nfs/dbraw/zinc/42/41/40/1066424140.db2.gz OUXJEILNSGUURE-UHFFFAOYSA-N 0 0 458.558 4.854 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001361142486 1066424230 /nfs/dbraw/zinc/42/42/30/1066424230.db2.gz AGCCLLRFXOWSMC-RTWAWAEBSA-N 0 0 458.649 4.574 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)CC2=O)ccc1Br ZINC001361143308 1066424801 /nfs/dbraw/zinc/42/48/01/1066424801.db2.gz PHTYEZFOICBNTB-QFUCXCTJSA-N 0 0 455.396 4.763 20 0 JJADRN C[C@@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1ccc(F)cc1F ZINC001361143166 1066424917 /nfs/dbraw/zinc/42/49/17/1066424917.db2.gz NBXIEAFGYLCHPH-JTQLQIEISA-N 0 0 456.312 4.691 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC[C@H]3CC(C)(C)CO3)ccc2C)c(C)c1 ZINC001455708752 1066425518 /nfs/dbraw/zinc/42/55/18/1066425518.db2.gz DOIVFKIORDLHCH-NRFANRHFSA-N 0 0 458.624 4.656 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)c2)n1 ZINC001444176493 1066425469 /nfs/dbraw/zinc/42/54/69/1066425469.db2.gz PHIJOYYFVCGIGM-UHFFFAOYSA-N 0 0 450.392 4.875 20 0 JJADRN CCOC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001444171920 1066425653 /nfs/dbraw/zinc/42/56/53/1066425653.db2.gz PRNGVIOVAOICRC-AWEZNQCLSA-N 0 0 451.350 4.840 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC001444172341 1066425679 /nfs/dbraw/zinc/42/56/79/1066425679.db2.gz QGRDZOUTHODVGZ-VQTJNVASSA-N 0 0 458.628 4.653 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001455716202 1066426108 /nfs/dbraw/zinc/42/61/08/1066426108.db2.gz LDFAISUXJFSZSC-DEOSSOPVSA-N 0 0 458.599 4.577 20 0 JJADRN CC[C@@H](Cc1ccccc1)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC001361144272 1066426227 /nfs/dbraw/zinc/42/62/27/1066426227.db2.gz JPIZBPWEKOWJMB-QHCPKHFHSA-N 0 0 450.604 4.718 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCC2=CCCCC2)c1 ZINC001361144550 1066426266 /nfs/dbraw/zinc/42/62/66/1066426266.db2.gz JHLITDRCLHRWQY-LEWJYISDSA-N 0 0 474.671 4.622 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)CC2)c1 ZINC001361144388 1066426306 /nfs/dbraw/zinc/42/63/06/1066426306.db2.gz GXHSQHHVYGORFS-UHFFFAOYSA-N 0 0 476.572 4.845 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001455717517 1066426825 /nfs/dbraw/zinc/42/68/25/1066426825.db2.gz UGAFTDHOPLLVQZ-DFWCCGOPSA-N 0 0 453.535 4.801 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3[C@@H]4CCC[C@@H]43)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361144796 1066426980 /nfs/dbraw/zinc/42/69/80/1066426980.db2.gz MBXOLPKZQVSLMV-VMIIQTFKSA-N 0 0 483.657 4.964 20 0 JJADRN O=C(C[C@H]1CCCC1(F)F)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180668 1066427022 /nfs/dbraw/zinc/42/70/22/1066427022.db2.gz TVASBOGKRQWKIU-GDBMZVCRSA-N 0 0 454.315 4.912 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001444181333 1066427027 /nfs/dbraw/zinc/42/70/27/1066427027.db2.gz VMTDDFFPOMHPNE-XFAGBWLFSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)CC2)c1 ZINC001361145150 1066427517 /nfs/dbraw/zinc/42/75/17/1066427517.db2.gz PTEQDXIUTBNKMD-UHFFFAOYSA-N 0 0 469.033 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC001444182120 1066427496 /nfs/dbraw/zinc/42/74/96/1066427496.db2.gz WFKVJXMRVAWXAV-QFIPXVFZSA-N 0 0 451.567 4.593 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1)NC(=O)OC(C)(C)C ZINC001545965560 1066427530 /nfs/dbraw/zinc/42/75/30/1066427530.db2.gz ZOIWVMNEDHOLEA-INIZCTEOSA-N 0 0 496.425 4.996 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545965517 1066427563 /nfs/dbraw/zinc/42/75/63/1066427563.db2.gz YUSVPSVCOIKKND-NVXWUHKLSA-N 0 0 491.961 4.873 20 0 JJADRN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1c(C)nn(Cc3ccccc3Cl)c1C)C(=O)N2 ZINC001444196289 1066428356 /nfs/dbraw/zinc/42/83/56/1066428356.db2.gz JYXOWHUACZQANY-LJQANCHMSA-N 0 0 450.970 4.620 20 0 JJADRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1cnn(-c3cccc(C)c3)c1C(F)(F)F)C(=O)N2 ZINC001444197050 1066428387 /nfs/dbraw/zinc/42/83/87/1066428387.db2.gz LGNABBJYVHHWGG-KRWDZBQOSA-N 0 0 456.468 4.618 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2OC)C1 ZINC001546075580 1066428389 /nfs/dbraw/zinc/42/83/89/1066428389.db2.gz QMZWCNCPIRMVMK-XMMPIXPASA-N 0 0 455.990 4.609 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546075920 1066428987 /nfs/dbraw/zinc/42/89/87/1066428987.db2.gz XZVSGOOCEDRPPK-WVFSIPRWSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C ZINC001455767935 1066429094 /nfs/dbraw/zinc/42/90/94/1066429094.db2.gz QCGMUKYEQJSQLE-UHFFFAOYSA-N 0 0 450.564 4.741 20 0 JJADRN O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001455774950 1066429826 /nfs/dbraw/zinc/42/98/26/1066429826.db2.gz ZKZVMNOSDBISEJ-CYBMUJFWSA-N 0 0 458.362 4.612 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 ZINC001546075958 1066429883 /nfs/dbraw/zinc/42/98/83/1066429883.db2.gz YYWNZFNUFCNENI-RCZVLFRGSA-N 0 0 453.034 4.847 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCO[C@H]2CCCC[C@H]2C)cnn1C ZINC001361145880 1066430135 /nfs/dbraw/zinc/43/01/35/1066430135.db2.gz LTFXGAKQBDPOJQ-YKSBVNFPSA-N 0 0 480.657 4.748 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC001455779251 1066430959 /nfs/dbraw/zinc/43/09/59/1066430959.db2.gz LENMXCBWWUUTIN-SFHVURJKSA-N 0 0 459.587 4.543 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCc3cc(OC)c(O)c(OC)c3)s2)cc1 ZINC001444214787 1066431063 /nfs/dbraw/zinc/43/10/63/1066431063.db2.gz KJRYLDINQLOKEL-AWEZNQCLSA-N 0 0 456.564 4.660 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1scnc1C)OC ZINC001545966265 1066431721 /nfs/dbraw/zinc/43/17/21/1066431721.db2.gz AZOQLDNXMJSZGZ-OAHLLOKOSA-N 0 0 480.432 4.543 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCc2nccs2)c1 ZINC001361146210 1066432074 /nfs/dbraw/zinc/43/20/74/1066432074.db2.gz WDIPJJWSSIIXNR-GOSISDBHSA-N 0 0 468.652 4.870 20 0 JJADRN CN1CC[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c2ccccc21 ZINC001455794033 1066432162 /nfs/dbraw/zinc/43/21/62/1066432162.db2.gz PZCILEOYMDGDDF-NRFANRHFSA-N 0 0 458.002 4.817 20 0 JJADRN CCCCCC[C@](C)(CC)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 ZINC001455794114 1066432292 /nfs/dbraw/zinc/43/22/92/1066432292.db2.gz RJMDFVYTSSWREY-QIMADWELSA-N 0 0 452.636 4.678 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC001455793925 1066432342 /nfs/dbraw/zinc/43/23/42/1066432342.db2.gz QUYYXWQXYWONFZ-ZNZDAUKMSA-N 0 0 465.402 4.567 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545966314 1066432472 /nfs/dbraw/zinc/43/24/72/1066432472.db2.gz BTCAPTOQDBOCMG-IBGZPJMESA-N 0 0 473.618 4.502 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC001546076278 1066432777 /nfs/dbraw/zinc/43/27/77/1066432777.db2.gz KDTNSHVNFNRRAZ-GOTSBHOMSA-N 0 0 450.579 4.933 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001361147485 1066432819 /nfs/dbraw/zinc/43/28/19/1066432819.db2.gz LKSIUZVBTBTEBH-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cccs3)n2CCOc2ncccc2F)c1 ZINC001361148105 1066432853 /nfs/dbraw/zinc/43/28/53/1066432853.db2.gz AAXGQCIEPZTCRT-UHFFFAOYSA-N 0 0 467.570 4.785 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cccc(C(F)(F)F)n1 ZINC001361147025 1066432992 /nfs/dbraw/zinc/43/29/92/1066432992.db2.gz BXAVLWJZVDXOMM-UHFFFAOYSA-N 0 0 450.852 4.523 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361148131 1066433593 /nfs/dbraw/zinc/43/35/93/1066433593.db2.gz ATIBMHGBGJQTRN-HXUWFJFHSA-N 0 0 471.646 4.966 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1(C)C ZINC001455800732 1066433894 /nfs/dbraw/zinc/43/38/94/1066433894.db2.gz OVTVKUCQKVPUOQ-QGZVFWFLSA-N 0 0 453.461 4.736 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361148277 1066434301 /nfs/dbraw/zinc/43/43/01/1066434301.db2.gz GCNTXXQNJPNGDW-PXDATVDWSA-N 0 0 478.641 4.742 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCOC3=O)cc2)C1 ZINC001455808273 1066434306 /nfs/dbraw/zinc/43/43/06/1066434306.db2.gz NEMRYRUSZLGZKZ-SFHVURJKSA-N 0 0 450.535 4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)(c2ccccc2)C1 ZINC001444250953 1066435319 /nfs/dbraw/zinc/43/53/19/1066435319.db2.gz YVJCSNPGVZKYKA-XAXKJMDRSA-N 0 0 452.570 4.842 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C(=O)c1cccc(F)c1 ZINC001444253957 1066435803 /nfs/dbraw/zinc/43/58/03/1066435803.db2.gz OWKHULMCSSNQDQ-HNNXBMFYSA-N 0 0 458.331 4.875 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCSCC(F)(F)F)c1 ZINC001361148707 1066436593 /nfs/dbraw/zinc/43/65/93/1066436593.db2.gz UCKPGQKIEHNPAR-GOSISDBHSA-N 0 0 472.577 4.632 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001361148747 1066436712 /nfs/dbraw/zinc/43/67/12/1066436712.db2.gz VHPMDFVXHNIRSU-KRWDZBQOSA-N 0 0 498.031 4.906 20 0 JJADRN O=C(Nc1ccc(Oc2ccccn2)cc1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444258276 1066436660 /nfs/dbraw/zinc/43/66/60/1066436660.db2.gz DWRQIFAYRTUUGT-IBGZPJMESA-N 0 0 452.308 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001455818033 1066437534 /nfs/dbraw/zinc/43/75/34/1066437534.db2.gz ONJZRUZDHSUMHA-OUDXUNEISA-N 0 0 479.662 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCc2cccs2)c1 ZINC001361148984 1066438131 /nfs/dbraw/zinc/43/81/31/1066438131.db2.gz DLBWKVRFJBAZOI-UHFFFAOYSA-N 0 0 470.639 4.613 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361148930 1066438211 /nfs/dbraw/zinc/43/82/11/1066438211.db2.gz BYQGFKBNUQQHAP-PMACEKPBSA-N 0 0 469.655 4.813 20 0 JJADRN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)[nH]c1=O ZINC001455821661 1066438357 /nfs/dbraw/zinc/43/83/57/1066438357.db2.gz AZSUYNMVTJDGFQ-AOMKIAJQSA-N 0 0 453.583 4.816 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)=C2 ZINC001455824151 1066438809 /nfs/dbraw/zinc/43/88/09/1066438809.db2.gz KLXAZCRUBCCVDT-SANMLTNESA-N 0 0 456.583 4.501 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@](C)=O)CCC2)c1 ZINC001361149203 1066438797 /nfs/dbraw/zinc/43/87/97/1066438797.db2.gz MIBDEZAOFMGCBC-XIFFEERXSA-N 0 0 470.639 4.783 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001444266085 1066438959 /nfs/dbraw/zinc/43/89/59/1066438959.db2.gz KSCKUQACXHXAHK-BKULYWANSA-N 0 0 452.595 4.810 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)cc2)nn1 ZINC001444266443 1066439043 /nfs/dbraw/zinc/43/90/43/1066439043.db2.gz YTNJZZHAJJMNOU-AWEZNQCLSA-N 0 0 455.540 4.872 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC001444268491 1066439678 /nfs/dbraw/zinc/43/96/78/1066439678.db2.gz VDKQXAACXFBUNW-MAUKXSAKSA-N 0 0 451.405 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ccn(-c3ccccc3Cl)n1)C2 ZINC001455832797 1066439719 /nfs/dbraw/zinc/43/97/19/1066439719.db2.gz UZIJRCXTPRECKP-XMMPIXPASA-N 0 0 458.990 4.779 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N(C)CCC(F)(F)F)cs1 ZINC001361149529 1066440000 /nfs/dbraw/zinc/44/00/00/1066440000.db2.gz VZJVUXHECQTMHD-UHFFFAOYSA-N 0 0 453.534 4.870 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1=O ZINC001361149617 1066440023 /nfs/dbraw/zinc/44/00/23/1066440023.db2.gz FRTGYIRMICDDII-INIZCTEOSA-N 0 0 451.910 4.836 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2[nH]c(=O)c3ccccc3c2C)n1C ZINC001444269750 1066440303 /nfs/dbraw/zinc/44/03/03/1066440303.db2.gz YPLARYAWPRPHQD-UHFFFAOYSA-N 0 0 451.324 4.973 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC001444270610 1066440319 /nfs/dbraw/zinc/44/03/19/1066440319.db2.gz ZVBAEEFQEQZLAL-QGZVFWFLSA-N 0 0 458.967 4.647 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001361150147 1066440923 /nfs/dbraw/zinc/44/09/23/1066440923.db2.gz VOIIOOIPYJYEEJ-SFHVURJKSA-N 0 0 455.396 4.820 20 0 JJADRN CSC1CCC(CNC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)CC1 ZINC001455850841 1066441357 /nfs/dbraw/zinc/44/13/57/1066441357.db2.gz WQFYNTPIZUPOFB-UHFFFAOYSA-N 0 0 450.645 4.561 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2)cc1 ZINC001444270941 1066441409 /nfs/dbraw/zinc/44/14/09/1066441409.db2.gz WCMXKSWZMVSHQE-GOSISDBHSA-N 0 0 458.530 4.736 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccs2)c1 ZINC001361151037 1066441417 /nfs/dbraw/zinc/44/14/17/1066441417.db2.gz AOHCBMAKCYGDKZ-CTNGQTDRSA-N 0 0 497.665 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001455847573 1066441460 /nfs/dbraw/zinc/44/14/60/1066441460.db2.gz OIUNOTAXFYIEJX-OAQYLSRUSA-N 0 0 456.514 4.973 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(CCc3ccccc3)CC2)cc1 ZINC001455854693 1066442001 /nfs/dbraw/zinc/44/20/01/1066442001.db2.gz PRRLGGNNPLXZQA-VWLOTQADSA-N 0 0 456.652 4.559 20 0 JJADRN Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4cscc4Cl)cc3[nH]c2=S)c1C ZINC001455863114 1066442629 /nfs/dbraw/zinc/44/26/29/1066442629.db2.gz XACZBVVJQJHFNR-UHFFFAOYSA-N 0 0 455.992 4.936 20 0 JJADRN O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001444280896 1066442670 /nfs/dbraw/zinc/44/26/70/1066442670.db2.gz NWDOMMAIIFWNAJ-QGZVFWFLSA-N 0 0 454.452 4.831 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1ccnc(Cl)c1Br)CC2 ZINC001455865138 1066442727 /nfs/dbraw/zinc/44/27/27/1066442727.db2.gz IPJVVSALMYRCDN-UHFFFAOYSA-N 0 0 451.748 4.592 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)c(C)c2c1 ZINC001444285636 1066443270 /nfs/dbraw/zinc/44/32/70/1066443270.db2.gz MNBIUGAMWLZMQD-UHFFFAOYSA-N 0 0 455.514 4.840 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)s1 ZINC001444284850 1066443349 /nfs/dbraw/zinc/44/33/49/1066443349.db2.gz KVERTSPMRSERLR-UHFFFAOYSA-N 0 0 456.571 4.933 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)C12CCCCC2 ZINC001444285436 1066443391 /nfs/dbraw/zinc/44/33/91/1066443391.db2.gz MGLIDCZRONERDL-BJKOFHAPSA-N 0 0 455.643 4.886 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)C12CCCCC2 ZINC001444285462 1066443519 /nfs/dbraw/zinc/44/35/19/1066443519.db2.gz MGLIDCZRONERDL-RPWUZVMVSA-N 0 0 455.643 4.886 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCCCCC2=O)C1 ZINC001546077057 1066443972 /nfs/dbraw/zinc/44/39/72/1066443972.db2.gz GAKQMHLUJKCUMC-HHHXNRCGSA-N 0 0 451.659 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)(c2ccccc2)C1 ZINC001455870990 1066444043 /nfs/dbraw/zinc/44/40/43/1066444043.db2.gz LJXDXUWWERBXGQ-NMNUPHIUSA-N 0 0 452.517 4.756 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)C12CCCCC2 ZINC001444297327 1066444732 /nfs/dbraw/zinc/44/47/32/1066444732.db2.gz XJZLBAXKMSERHK-QEFHDYNCSA-N 0 0 456.627 4.713 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361151972 1066444757 /nfs/dbraw/zinc/44/47/57/1066444757.db2.gz NPNAZXWXGVHMPT-FDDCHVKYSA-N 0 0 464.532 4.724 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361152060 1066445171 /nfs/dbraw/zinc/44/51/71/1066445171.db2.gz HQYAWUVBNMHEJJ-PKOBYXMFSA-N 0 0 493.599 4.869 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H]4CCCCCC[C@@H]43)n2CCC(=O)NC(C)C)c1 ZINC001361152101 1066445182 /nfs/dbraw/zinc/44/51/82/1066445182.db2.gz PKOXOLBEYHXIMT-VXKWHMMOSA-N 0 0 453.631 4.548 20 0 JJADRN COC(=O)C[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001455880808 1066445335 /nfs/dbraw/zinc/44/53/35/1066445335.db2.gz KXNUEWYUOUSAFA-LPMFXHHGSA-N 0 0 473.397 4.559 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361152058 1066445285 /nfs/dbraw/zinc/44/52/85/1066445285.db2.gz HQYAWUVBNMHEJJ-IEBWSBKVSA-N 0 0 493.599 4.869 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545966662 1066445309 /nfs/dbraw/zinc/44/53/09/1066445309.db2.gz IHQLGOYOJKWOGB-IBGZPJMESA-N 0 0 486.016 4.777 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CCC(c3ccccc3F)CC2)[C@H]1c1ccc(OC)cc1 ZINC001444300099 1066445374 /nfs/dbraw/zinc/44/53/74/1066445374.db2.gz OPCDLWVYANGDRX-JYFHCDHNSA-N 0 0 452.570 4.930 20 0 JJADRN CC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC)c1cccc2ccccc21 ZINC001455884614 1066445426 /nfs/dbraw/zinc/44/54/26/1066445426.db2.gz CASJAVFFNVALGZ-PKTZIBPZSA-N 0 0 450.604 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(C)CCCO2)c1 ZINC001361152175 1066445892 /nfs/dbraw/zinc/44/58/92/1066445892.db2.gz QFJUSTYAZNJXJK-QFIPXVFZSA-N 0 0 450.505 4.742 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)n1 ZINC001455887345 1066446061 /nfs/dbraw/zinc/44/60/61/1066446061.db2.gz JBINSEFIYSIXKP-GDBMZVCRSA-N 0 0 452.407 4.593 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)c3cc(Br)nn3-c3ccc(C)cc3)C2)n1 ZINC001455885126 1066446095 /nfs/dbraw/zinc/44/60/95/1066446095.db2.gz DTYCPXHMLVJBNI-MRXNPFEDSA-N 0 0 459.413 4.803 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361152405 1066446590 /nfs/dbraw/zinc/44/65/90/1066446590.db2.gz SRFQAUATTRCLJX-SVFBPWRDSA-N 0 0 479.591 4.840 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001455889063 1066446658 /nfs/dbraw/zinc/44/66/58/1066446658.db2.gz POGMQVVWTATCRT-OALUTQOASA-N 0 0 455.640 4.564 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001455889675 1066446731 /nfs/dbraw/zinc/44/67/31/1066446731.db2.gz RNRZMNWUIKSFAA-CEXWTWQISA-N 0 0 455.640 4.564 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2nccs2)c1 ZINC001361152935 1066447863 /nfs/dbraw/zinc/44/78/63/1066447863.db2.gz SPSWQLMJTFREBD-UHFFFAOYSA-N 0 0 451.518 4.757 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 ZINC001444318568 1066447976 /nfs/dbraw/zinc/44/79/76/1066447976.db2.gz HPTKPXSDFBLHLK-UHFFFAOYSA-N 0 0 453.564 4.763 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361153008 1066447983 /nfs/dbraw/zinc/44/79/83/1066447983.db2.gz UGDACDUAJSNZFW-NRFANRHFSA-N 0 0 462.642 4.856 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccc(F)cc2)C1 ZINC001546077374 1066448120 /nfs/dbraw/zinc/44/81/20/1066448120.db2.gz NHCMSXLBNDDMTQ-XDHUDOTRSA-N 0 0 455.603 4.839 20 0 JJADRN CC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1F ZINC001444321205 1066448115 /nfs/dbraw/zinc/44/81/15/1066448115.db2.gz GVEYEJHRENDJNA-KNQAVFIVSA-N 0 0 457.546 4.632 20 0 JJADRN CCCN(C(=O)c1ccc(I)cc1O)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444322140 1066448821 /nfs/dbraw/zinc/44/88/21/1066448821.db2.gz HGHLOLGHXNBLAC-QZTJIDSGSA-N 0 0 457.352 4.587 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)c(OC)c2)C1 ZINC001546077412 1066448852 /nfs/dbraw/zinc/44/88/52/1066448852.db2.gz NZZYEBSFLGJXHI-QHCPKHFHSA-N 0 0 474.030 4.606 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361153387 1066449142 /nfs/dbraw/zinc/44/91/42/1066449142.db2.gz YWEFYRRWSJWZKY-IBGZPJMESA-N 0 0 458.557 4.986 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361153370 1066449198 /nfs/dbraw/zinc/44/91/98/1066449198.db2.gz YLJVOAKKWPPNNQ-CTNGQTDRSA-N 0 0 453.631 4.548 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001444326589 1066449350 /nfs/dbraw/zinc/44/93/50/1066449350.db2.gz DIZDLVFNRORZGK-SNVBAGLBSA-N 0 0 458.282 4.623 20 0 JJADRN CSC[C@@H](C)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001444327635 1066449909 /nfs/dbraw/zinc/44/99/09/1066449909.db2.gz VTLWBJRFOBHBIE-MRXNPFEDSA-N 0 0 450.560 4.800 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 ZINC001444328798 1066449981 /nfs/dbraw/zinc/44/99/81/1066449981.db2.gz XBEUVQKSICKVHR-RBUKOAKNSA-N 0 0 451.386 4.733 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3N)cc2)c1 ZINC001444330244 1066450050 /nfs/dbraw/zinc/45/00/50/1066450050.db2.gz VJKLAMCKGIXPRE-UHFFFAOYSA-N 0 0 452.576 4.935 20 0 JJADRN Cn1ccc([C@@H]2CCCN(C(=O)[C@H](Oc3ccccc3Br)c3ccccc3)C2)n1 ZINC001455910658 1066450084 /nfs/dbraw/zinc/45/00/84/1066450084.db2.gz GQIPWFBLZKHZOM-XMSQKQJNSA-N 0 0 454.368 4.709 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)O[C@H](c3ccc(Br)cc3)C(F)(F)F)C2)c1 ZINC001361153575 1066450042 /nfs/dbraw/zinc/45/00/42/1066450042.db2.gz JSACIXFZKHAVRT-DLBZAZTESA-N 0 0 458.230 4.798 20 0 JJADRN CCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444327089 1066450130 /nfs/dbraw/zinc/45/01/30/1066450130.db2.gz LKQDCJXHGLJOCW-NHCUHLMSSA-N 0 0 457.640 4.935 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@]3(C)CCOC4(CCC4)C3)ccc2C)c1 ZINC001455916530 1066450253 /nfs/dbraw/zinc/45/02/53/1066450253.db2.gz KMNKZIZJOCKHGS-XMMPIXPASA-N 0 0 456.608 4.573 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(OC)CCOC2)C1 ZINC001546077540 1066450345 /nfs/dbraw/zinc/45/03/45/1066450345.db2.gz QPKITRBDTNHZOD-UIOOFZCWSA-N 0 0 456.631 4.721 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(N2CCCCCC2)c1 ZINC001444330419 1066450498 /nfs/dbraw/zinc/45/04/98/1066450498.db2.gz XQRTWIIPLWJHRE-UHFFFAOYSA-N 0 0 451.592 4.527 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC[C@@H]4CCOC4)CC3)n2CCC(C)C)c1 ZINC001361154574 1066451158 /nfs/dbraw/zinc/45/11/58/1066451158.db2.gz DCWQZMNTVGPQDF-JOCHJYFZSA-N 0 0 456.631 4.542 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CSC)c2)C1 ZINC001546077579 1066451199 /nfs/dbraw/zinc/45/11/99/1066451199.db2.gz RCGMRRCKGSARAO-DEOSSOPVSA-N 0 0 469.680 4.807 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCCc1c[nH]c3c1cccc3C)N2C(=O)OC(C)(C)C ZINC001444337126 1066451207 /nfs/dbraw/zinc/45/12/07/1066451207.db2.gz KDTVIVDOWQRXIQ-JOCHJYFZSA-N 0 0 451.542 4.949 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)o1 ZINC001444338674 1066451308 /nfs/dbraw/zinc/45/13/08/1066451308.db2.gz AOSDGDGNDOIZKS-JOCHJYFZSA-N 0 0 456.564 4.671 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)o1 ZINC001444338675 1066451323 /nfs/dbraw/zinc/45/13/23/1066451323.db2.gz AOSDGDGNDOIZKS-QFIPXVFZSA-N 0 0 456.564 4.671 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361154910 1066451555 /nfs/dbraw/zinc/45/15/55/1066451555.db2.gz GTNZCHZXKHSJIV-VQTJNVASSA-N 0 0 469.630 4.623 20 0 JJADRN C[C@H](Oc1ccc(C=O)cc1)C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001444343818 1066451752 /nfs/dbraw/zinc/45/17/52/1066451752.db2.gz ULHPIXVLCIMYKY-NRFANRHFSA-N 0 0 459.542 4.668 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1)C1CC1 ZINC001444345618 1066452558 /nfs/dbraw/zinc/45/25/58/1066452558.db2.gz VZMZTWVKYIZNPN-UHFFFAOYSA-N 0 0 458.440 4.739 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1)N(C)C(=O)OC(C)(C)C ZINC001444345839 1066452642 /nfs/dbraw/zinc/45/26/42/1066452642.db2.gz WRZNUUYHPBTAHG-IBGZPJMESA-N 0 0 451.995 4.700 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001455929010 1066452898 /nfs/dbraw/zinc/45/28/98/1066452898.db2.gz OYTKOCZWCNBDOW-MKXGPGLRSA-N 0 0 455.624 4.965 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H](c2cccnc2)C(C)C)c1 ZINC001361155194 1066452979 /nfs/dbraw/zinc/45/29/79/1066452979.db2.gz ORMCRHRPDCFXPO-XMMPIXPASA-N 0 0 463.626 4.517 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001455929576 1066453098 /nfs/dbraw/zinc/45/30/98/1066453098.db2.gz GGPMOXHHSXJPQH-UHFFFAOYSA-N 0 0 457.336 4.989 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361155324 1066453608 /nfs/dbraw/zinc/45/36/08/1066453608.db2.gz ANZURLPBCHWCFH-ZLNRFVROSA-N 0 0 470.658 4.930 20 0 JJADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001455932523 1066453894 /nfs/dbraw/zinc/45/38/94/1066453894.db2.gz IFAGJIKLLCZICN-QFIPXVFZSA-N 0 0 454.567 4.743 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(NCc2cnn(C)c2)cc1)Cc1cccc(Br)c1 ZINC001444357082 1066454311 /nfs/dbraw/zinc/45/43/11/1066454311.db2.gz DLSOCAXBIRGQPL-QGZVFWFLSA-N 0 0 455.400 4.793 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001444357858 1066454514 /nfs/dbraw/zinc/45/45/14/1066454514.db2.gz XJDWSYPZWDGGNS-IBGZPJMESA-N 0 0 455.599 4.922 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361155455 1066455185 /nfs/dbraw/zinc/45/51/85/1066455185.db2.gz ULGXDMIFOSYASS-KRWDZBQOSA-N 0 0 451.398 4.942 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2CCC(C)(C)O)c1 ZINC001361155540 1066455201 /nfs/dbraw/zinc/45/52/01/1066455201.db2.gz CYUHDOALKVITMN-GCJKJVERSA-N 0 0 467.441 4.655 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@@H]2C)c1 ZINC001361155635 1066455599 /nfs/dbraw/zinc/45/55/99/1066455599.db2.gz FLAZXZHQFAXPJO-PWRODBHTSA-N 0 0 469.630 4.796 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1)Cc1cccc(Br)c1 ZINC001444366100 1066456065 /nfs/dbraw/zinc/45/60/65/1066456065.db2.gz QMUMZUGAENAVPB-CVEARBPZSA-N 0 0 453.421 4.922 20 0 JJADRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)cc1 ZINC001444384644 1066456601 /nfs/dbraw/zinc/45/66/01/1066456601.db2.gz GQWUKVSECUILJO-KRWDZBQOSA-N 0 0 456.995 4.725 20 0 JJADRN COc1ccc(-c2nn(CC(=O)Nc3cc(C(C)C)nn3-c3ccc(C)cc3)cc2C=O)cc1 ZINC001444387328 1066456667 /nfs/dbraw/zinc/45/66/67/1066456667.db2.gz OEMVLQADTRJJPB-UHFFFAOYSA-N 0 0 457.534 4.627 20 0 JJADRN O=C(NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001455942118 1066456926 /nfs/dbraw/zinc/45/69/26/1066456926.db2.gz MEOWCPUZZLEDGR-UHFFFAOYSA-N 0 0 454.374 4.529 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001455945662 1066456996 /nfs/dbraw/zinc/45/69/96/1066456996.db2.gz XGLKVJXORQNRDH-UHFFFAOYSA-N 0 0 452.839 4.611 20 0 JJADRN COc1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001455948365 1066457749 /nfs/dbraw/zinc/45/77/49/1066457749.db2.gz LXLJZECVZMZDCQ-PXNSSMCTSA-N 0 0 450.645 4.641 20 0 JJADRN COC(=O)c1cc(NC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1SC ZINC001455948947 1066458059 /nfs/dbraw/zinc/45/80/59/1066458059.db2.gz JODWJRRYOCUGMH-HNNXBMFYSA-N 0 0 450.601 4.807 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC[C@H]2CCOC2)c1 ZINC001361156403 1066458775 /nfs/dbraw/zinc/45/87/75/1066458775.db2.gz USFKMUPQUACCSA-NHCUHLMSSA-N 0 0 496.574 4.696 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001361156390 1066458838 /nfs/dbraw/zinc/45/88/38/1066458838.db2.gz UKZYIGCRYWGCTB-JOCHJYFZSA-N 0 0 495.693 4.828 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1 ZINC001455951824 1066459229 /nfs/dbraw/zinc/45/92/29/1066459229.db2.gz JLAPVQAMBNAWIE-KSFYIVLOSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361156554 1066459398 /nfs/dbraw/zinc/45/93/98/1066459398.db2.gz YJFXAXFTNMZBOA-BCQCSXDESA-N 0 0 470.658 4.809 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC001444407101 1066459460 /nfs/dbraw/zinc/45/94/60/1066459460.db2.gz LBSPIAQHOWPUJS-GOSISDBHSA-N 0 0 450.402 4.516 20 0 JJADRN CCN(C(=O)c1cc(F)cc(N2CCOCC2)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455956935 1066459832 /nfs/dbraw/zinc/45/98/32/1066459832.db2.gz DCYCJHKWWGLTRN-DEOSSOPVSA-N 0 0 455.480 4.587 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCSC2)c1 ZINC001361156595 1066459896 /nfs/dbraw/zinc/45/98/96/1066459896.db2.gz ZFWKSPDFDYQTED-YADHBBJMSA-N 0 0 499.725 4.748 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCSC2)c1 ZINC001361156593 1066460013 /nfs/dbraw/zinc/46/00/13/1066460013.db2.gz ZFWKSPDFDYQTED-FGZHOGPDSA-N 0 0 499.725 4.748 20 0 JJADRN O=C(O[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)c1cnn(-c2ccccc2)c1 ZINC001361157895 1066460590 /nfs/dbraw/zinc/46/05/90/1066460590.db2.gz YGZVXHCREBSYSX-KRWDZBQOSA-N 0 0 453.214 4.664 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2cc(Cl)ccc2n1C ZINC001361157994 1066460597 /nfs/dbraw/zinc/46/05/97/1066460597.db2.gz ZJALOVYNPYOZAU-NEPJUHHUSA-N 0 0 450.297 4.677 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)CCC(=O)c1ccc(I)cc1 ZINC001444415346 1066460656 /nfs/dbraw/zinc/46/06/56/1066460656.db2.gz VTFWYGKYYCOPLN-GOSISDBHSA-N 0 0 450.320 4.649 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC001455960151 1066461082 /nfs/dbraw/zinc/46/10/82/1066461082.db2.gz BMOOLGBBGXDZAT-LAUBAEHRSA-N 0 0 457.498 4.510 20 0 JJADRN CCN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455962104 1066461164 /nfs/dbraw/zinc/46/11/64/1066461164.db2.gz NVJDHAQQDYKINZ-JOCHJYFZSA-N 0 0 453.489 4.517 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)OC ZINC001545967158 1066461239 /nfs/dbraw/zinc/46/12/39/1066461239.db2.gz REVROEHUEGAXKH-LEWJYISDSA-N 0 0 474.646 4.950 20 0 JJADRN Cc1cccc(COc2cccc(NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC001444434966 1066461445 /nfs/dbraw/zinc/46/14/45/1066461445.db2.gz GFIGVTDIOBWPEV-UHFFFAOYSA-N 0 0 454.567 4.929 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)s1 ZINC001455962087 1066461634 /nfs/dbraw/zinc/46/16/34/1066461634.db2.gz NRDUUFLFYKSLPM-UHFFFAOYSA-N 0 0 458.942 4.814 20 0 JJADRN CCC[C@H](Cc1ccccc1)NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001455962192 1066461687 /nfs/dbraw/zinc/46/16/87/1066461687.db2.gz ORNFMXVIKJLAGI-HSZRJFAPSA-N 0 0 458.562 4.638 20 0 JJADRN CCN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455962106 1066461785 /nfs/dbraw/zinc/46/17/85/1066461785.db2.gz NVJDHAQQDYKINZ-QFIPXVFZSA-N 0 0 453.489 4.517 20 0 JJADRN O=C(Cc1ccc2c(c1)CCC2)Nc1cc(I)ccc1Br ZINC001455962131 1066461795 /nfs/dbraw/zinc/46/17/95/1066461795.db2.gz CWEVDXGAUNZEFE-UHFFFAOYSA-N 0 0 456.121 4.724 20 0 JJADRN CCOC(Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cn1)OCC ZINC001455964947 1066462626 /nfs/dbraw/zinc/46/26/26/1066462626.db2.gz DNEZGBKOPCBLHF-MRXNPFEDSA-N 0 0 454.276 4.622 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001546077999 1066463984 /nfs/dbraw/zinc/46/39/84/1066463984.db2.gz ZQNVTWOEKLDJRH-HSZRJFAPSA-N 0 0 476.547 4.756 20 0 JJADRN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1OCC1CCCCC1 ZINC001444469984 1066463985 /nfs/dbraw/zinc/46/39/85/1066463985.db2.gz IWMPFHVRDZLFBL-UHFFFAOYSA-N 0 0 457.017 4.586 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967311 1066464019 /nfs/dbraw/zinc/46/40/19/1066464019.db2.gz VNZOVXWXBRGXKR-ICSRJNTNSA-N 0 0 494.640 4.800 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCOC2CCCCCC2)c1 ZINC001361159132 1066463946 /nfs/dbraw/zinc/46/39/46/1066463946.db2.gz PNWJSAAVBLPVOG-QFIPXVFZSA-N 0 0 456.631 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NCc2ccccc2OCC2CC2)CC1 ZINC001444473901 1066464399 /nfs/dbraw/zinc/46/43/99/1066464399.db2.gz XNRUBYKEBBCSSH-UHFFFAOYSA-N 0 0 455.555 4.508 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC001455973197 1066464424 /nfs/dbraw/zinc/46/44/24/1066464424.db2.gz QXRIHXKCXXJFSJ-GOSISDBHSA-N 0 0 458.440 4.534 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC001455973214 1066464441 /nfs/dbraw/zinc/46/44/41/1066464441.db2.gz QXRIHXKCXXJFSJ-SFHVURJKSA-N 0 0 458.440 4.534 20 0 JJADRN CCN(C(=O)c1ccc(Cl)c(Cl)c1N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001444475661 1066464513 /nfs/dbraw/zinc/46/45/13/1066464513.db2.gz IUWRLPZBMMNVMG-UHFFFAOYSA-N 0 0 450.414 4.929 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CCC(C)(F)F)c1 ZINC001361159521 1066464595 /nfs/dbraw/zinc/46/45/95/1066464595.db2.gz BHFJGKADHKTAPB-UHFFFAOYSA-N 0 0 493.496 4.542 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361159854 1066465111 /nfs/dbraw/zinc/46/51/11/1066465111.db2.gz MQPQKISYAFANML-RBBKRZOGSA-N 0 0 483.657 4.967 20 0 JJADRN O=C(N1CCC(OC[C@H]2CCOC2)CC1)C1(c2ccccc2Br)CCCCC1 ZINC001546078088 1066465214 /nfs/dbraw/zinc/46/52/14/1066465214.db2.gz CAEIPRZZKUZCQN-SFHVURJKSA-N 0 0 450.417 4.695 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H]2CCCC2(C)C)c1 ZINC001361159819 1066465146 /nfs/dbraw/zinc/46/51/46/1066465146.db2.gz LDUSEYVZWOCXJU-DHIUTWEWSA-N 0 0 481.685 4.993 20 0 JJADRN COc1cc(CN(C)C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(SC)cc1OC ZINC001444477449 1066465156 /nfs/dbraw/zinc/46/51/56/1066465156.db2.gz BKYUZXKMSFNKSV-VWLOTQADSA-N 0 0 459.608 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)on2)CC1 ZINC001444480336 1066465177 /nfs/dbraw/zinc/46/51/77/1066465177.db2.gz HHDDCOREHQVJTI-RTWAWAEBSA-N 0 0 453.583 4.930 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)on2)CC1 ZINC001444480326 1066465257 /nfs/dbraw/zinc/46/52/57/1066465257.db2.gz HHDDCOREHQVJTI-LEWJYISDSA-N 0 0 453.583 4.930 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(O)CCCCC1 ZINC001444488426 1066465836 /nfs/dbraw/zinc/46/58/36/1066465836.db2.gz DZQHGJMWIWIKFK-SANMLTNESA-N 0 0 450.579 4.505 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(O)CCCCC1 ZINC001444488418 1066465899 /nfs/dbraw/zinc/46/58/99/1066465899.db2.gz DZQHGJMWIWIKFK-AREMUKBSSA-N 0 0 450.579 4.505 20 0 JJADRN CCC1(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001444489280 1066465982 /nfs/dbraw/zinc/46/59/82/1066465982.db2.gz QFQCOUNEPPOILE-OAQYLSRUSA-N 0 0 453.558 4.688 20 0 JJADRN COc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)ccc1Br ZINC001455982089 1066466493 /nfs/dbraw/zinc/46/64/93/1066466493.db2.gz MENLQWIVYVFBDG-UHFFFAOYSA-N 0 0 451.276 4.511 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c(OCC2CC2)c1 ZINC001455984086 1066466513 /nfs/dbraw/zinc/46/65/13/1066466513.db2.gz JUHPRHGFIZZKPP-UHFFFAOYSA-N 0 0 456.539 4.640 20 0 JJADRN C[C@H](NC(=O)c1cc(F)cc(N2CCOCC2)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455984175 1066467079 /nfs/dbraw/zinc/46/70/79/1066467079.db2.gz KJXMGDAGONWEEJ-SFHVURJKSA-N 0 0 452.501 4.871 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001361161185 1066467154 /nfs/dbraw/zinc/46/71/54/1066467154.db2.gz HTEUEUGXNRCVDD-UHFFFAOYSA-N 0 0 454.521 4.713 20 0 JJADRN Cc1ccc(OCCC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493799 1066467572 /nfs/dbraw/zinc/46/75/72/1066467572.db2.gz YYIPEOCVSTUCAQ-MRXNPFEDSA-N 0 0 451.336 4.895 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001455988629 1066467726 /nfs/dbraw/zinc/46/77/26/1066467726.db2.gz HCSCZACKHMLILX-SANMLTNESA-N 0 0 454.574 4.745 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c(Br)c1 ZINC001455989032 1066467756 /nfs/dbraw/zinc/46/77/56/1066467756.db2.gz ZLDIRCHYELQWDJ-GFCCVEGCSA-N 0 0 451.704 4.972 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c(Br)c1 ZINC001455989035 1066468391 /nfs/dbraw/zinc/46/83/91/1066468391.db2.gz ZLDIRCHYELQWDJ-LBPRGKRZSA-N 0 0 451.704 4.972 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CCCC(C)(C)C)c1 ZINC001361161959 1066468446 /nfs/dbraw/zinc/46/84/46/1066468446.db2.gz DHLZIAPOTSAWLL-MHZLTWQESA-N 0 0 480.657 4.786 20 0 JJADRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC001455991115 1066468433 /nfs/dbraw/zinc/46/84/33/1066468433.db2.gz CMRJCIDEZTVKMT-UNMCSNQZSA-N 0 0 458.624 4.605 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001455990299 1066468457 /nfs/dbraw/zinc/46/84/57/1066468457.db2.gz LRHNLTJRXDPXQI-UHFFFAOYSA-N 0 0 457.290 4.832 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCOC(F)(F)F)c1 ZINC001361161975 1066468494 /nfs/dbraw/zinc/46/84/94/1066468494.db2.gz DQHONQYZPBBNPH-LJQANCHMSA-N 0 0 470.536 4.652 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)[C@@H]2CCCCN2C)c1 ZINC001444502340 1066468876 /nfs/dbraw/zinc/46/88/76/1066468876.db2.gz JERRVEJXXLRTRS-SFHVURJKSA-N 0 0 457.372 4.934 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 ZINC001455993828 1066469069 /nfs/dbraw/zinc/46/90/69/1066469069.db2.gz VPMMOHIRUCKOLM-GOSISDBHSA-N 0 0 452.624 4.886 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)[C@@H](Cc2cccnc2)C2CCCC2)c1 ZINC001455995723 1066469111 /nfs/dbraw/zinc/46/91/11/1066469111.db2.gz IPVLIRRBXQUZOT-QHCPKHFHSA-N 0 0 453.583 4.973 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)cc1Br ZINC001455995448 1066469148 /nfs/dbraw/zinc/46/91/48/1066469148.db2.gz YHIBOIAAVCUYMF-UHFFFAOYSA-N 0 0 459.413 4.680 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361162215 1066469373 /nfs/dbraw/zinc/46/93/73/1066469373.db2.gz KRTUWFMAHOWMAX-DEOSSOPVSA-N 0 0 497.684 4.518 20 0 JJADRN C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)C(=O)c1ccc(Cl)cc1 ZINC001444507309 1066469498 /nfs/dbraw/zinc/46/94/98/1066469498.db2.gz AWYCJIMDGYJVIF-HRAATJIYSA-N 0 0 454.954 4.504 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCC2CCOCC2)c1 ZINC001361162279 1066469609 /nfs/dbraw/zinc/46/96/09/1066469609.db2.gz MMQFYXGBODFVHD-HHHXNRCGSA-N 0 0 470.658 4.932 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 ZINC001455998420 1066469827 /nfs/dbraw/zinc/46/98/27/1066469827.db2.gz QMODYZUASFLIFZ-HNNXBMFYSA-N 0 0 457.358 4.640 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCSC[C@H]2C)c(C)o1 ZINC001361162357 1066470225 /nfs/dbraw/zinc/47/02/25/1066470225.db2.gz AJSPWWAUXIGNHU-IQGLISFBSA-N 0 0 470.639 4.533 20 0 JJADRN CCCN(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444508973 1066470143 /nfs/dbraw/zinc/47/01/43/1066470143.db2.gz PRRHZPRVMXPOIU-CYBMUJFWSA-N 0 0 454.379 4.658 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)s1 ZINC001444512145 1066470978 /nfs/dbraw/zinc/47/09/78/1066470978.db2.gz VPAOFMRRARMLJX-QGZVFWFLSA-N 0 0 457.621 4.956 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001361162852 1066470956 /nfs/dbraw/zinc/47/09/56/1066470956.db2.gz SNCOBNUEMDBLSB-SFHVURJKSA-N 0 0 455.628 4.599 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 ZINC001444511893 1066471049 /nfs/dbraw/zinc/47/10/49/1066471049.db2.gz HRFLGLFLEXKMGH-AWEZNQCLSA-N 0 0 453.539 4.780 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444511865 1066471096 /nfs/dbraw/zinc/47/10/96/1066471096.db2.gz HJXODNJTLBXTLL-GIIVHJRKSA-N 0 0 459.587 4.858 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@@H](C)CC(=O)c2ccccc2F)CC1 ZINC001444513524 1066471654 /nfs/dbraw/zinc/47/16/54/1066471654.db2.gz ZVWSMKUHUNEVSB-INIZCTEOSA-N 0 0 452.551 4.542 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361162957 1066471574 /nfs/dbraw/zinc/47/15/74/1066471574.db2.gz IXGDQAFAINXBSA-QZTJIDSGSA-N 0 0 489.592 4.849 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361162960 1066471578 /nfs/dbraw/zinc/47/15/78/1066471578.db2.gz IXGDQAFAINXBSA-ROUUACIJSA-N 0 0 489.592 4.849 20 0 JJADRN CCc1cnc(CN(C)C(=O)c2cc(I)c(Cl)cc2Cl)s1 ZINC001361169036 1066471811 /nfs/dbraw/zinc/47/18/11/1066471811.db2.gz SVYISJKDWDSMGS-UHFFFAOYSA-N 0 0 455.148 4.889 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001444515617 1066471917 /nfs/dbraw/zinc/47/19/17/1066471917.db2.gz MYROCAILWBBBJA-MGPUTAFESA-N 0 0 457.958 4.917 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](c4nccs4)C3)n2CCSC(F)(F)F)c1 ZINC001361163470 1066472632 /nfs/dbraw/zinc/47/26/32/1066472632.db2.gz YKDQVVJNZPRWPZ-KRWDZBQOSA-N 0 0 499.584 4.761 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cc1 ZINC001444516699 1066472740 /nfs/dbraw/zinc/47/27/40/1066472740.db2.gz YTHMVHDNHMLXBU-AZGAKELHSA-N 0 0 450.623 4.698 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2Cc2cc(Br)cs2)c1 ZINC001361163279 1066472676 /nfs/dbraw/zinc/47/26/76/1066472676.db2.gz LXSYWSCXMKKGIU-UHFFFAOYSA-N 0 0 479.469 4.899 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COCc1cccc(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456014334 1066473248 /nfs/dbraw/zinc/47/32/48/1066473248.db2.gz IRGLKRDIWYNYEK-HOYKHHGWSA-N 0 0 458.002 4.626 20 0 JJADRN COc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br ZINC001361163512 1066473285 /nfs/dbraw/zinc/47/32/85/1066473285.db2.gz OFMNOARYJJQHEB-HXUWFJFHSA-N 0 0 453.336 4.958 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](c4ccco4)C3)n2CCSC(C)C)c1 ZINC001361163656 1066473327 /nfs/dbraw/zinc/47/33/27/1066473327.db2.gz ZYWMRHFWJIWFJY-QFIPXVFZSA-N 0 0 456.612 4.786 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001361163741 1066473416 /nfs/dbraw/zinc/47/34/16/1066473416.db2.gz PXJBTNFCNUYCQW-QHCPKHFHSA-N 0 0 468.671 4.716 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC001456014935 1066473361 /nfs/dbraw/zinc/47/33/61/1066473361.db2.gz CZFNEERZTDHRBA-FQEVSTJZSA-N 0 0 453.539 4.839 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC001456015460 1066474004 /nfs/dbraw/zinc/47/40/04/1066474004.db2.gz JRKZDXLGHDIVNH-GOSISDBHSA-N 0 0 453.564 4.719 20 0 JJADRN C[C@H](C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1)c1cccc(F)c1 ZINC001444546793 1066474346 /nfs/dbraw/zinc/47/43/46/1066474346.db2.gz FAPYOVISBGBOGM-HNNXBMFYSA-N 0 0 454.439 4.764 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnc(-c2ccccc2Cl)nc1 ZINC001456016452 1066474788 /nfs/dbraw/zinc/47/47/88/1066474788.db2.gz HWERQOOLKJBJAD-QHCPKHFHSA-N 0 0 456.933 4.777 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC001456015990 1066474853 /nfs/dbraw/zinc/47/48/53/1066474853.db2.gz CKRJGKHUCRLFKY-MRXNPFEDSA-N 0 0 455.146 4.636 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456016202 1066474863 /nfs/dbraw/zinc/47/48/63/1066474863.db2.gz MDDSWYUDFGSBPC-KBCQWCIPSA-N 0 0 463.622 4.547 20 0 JJADRN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017602 1066475505 /nfs/dbraw/zinc/47/55/05/1066475505.db2.gz KQBIYCVLEIPCBL-KAYWLYCHSA-N 0 0 455.602 4.716 20 0 JJADRN O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cnc(Cl)c(Br)c1 ZINC001456018451 1066475563 /nfs/dbraw/zinc/47/55/63/1066475563.db2.gz JAMSGGGFSHOPIN-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361164193 1066475580 /nfs/dbraw/zinc/47/55/80/1066475580.db2.gz YGWQOXWEZTVHOR-KRWDZBQOSA-N 0 0 477.556 4.878 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361164194 1066475640 /nfs/dbraw/zinc/47/56/40/1066475640.db2.gz YGWQOXWEZTVHOR-QGZVFWFLSA-N 0 0 477.556 4.878 20 0 JJADRN COC(=O)N1CCC(C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)CC1 ZINC001361164410 1066475749 /nfs/dbraw/zinc/47/57/49/1066475749.db2.gz HWZDJYPBAOIXFD-UHFFFAOYSA-N 0 0 454.958 4.739 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444559040 1066475759 /nfs/dbraw/zinc/47/57/59/1066475759.db2.gz ASKQFGFQGCBNEO-CZAAIQMYSA-N 0 0 451.007 4.648 20 0 JJADRN Cc1nnnn1-c1cc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)ccc1F ZINC001361164559 1066475799 /nfs/dbraw/zinc/47/57/99/1066475799.db2.gz NSQRLPJOWGPAOM-UHFFFAOYSA-N 0 0 459.268 4.856 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)Nc3cc(F)ccc3SCC(F)F)n2)c1 ZINC001444564436 1066476309 /nfs/dbraw/zinc/47/63/09/1066476309.db2.gz TULWYZCOOKQCLS-UHFFFAOYSA-N 0 0 455.483 4.972 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001444562658 1066476417 /nfs/dbraw/zinc/47/64/17/1066476417.db2.gz FNYOHWFYEWXTAF-DHIUTWEWSA-N 0 0 456.558 4.672 20 0 JJADRN CO[C@@H](C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1Br ZINC001444561461 1066476427 /nfs/dbraw/zinc/47/64/27/1066476427.db2.gz DNAFKKSQKCRLPY-WOJBJXKFSA-N 0 0 452.776 4.762 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001456019046 1066476295 /nfs/dbraw/zinc/47/62/95/1066476295.db2.gz NQXMRGHVCNYLCM-WIOPSUGQSA-N 0 0 458.558 4.503 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001456019051 1066476384 /nfs/dbraw/zinc/47/63/84/1066476384.db2.gz NQYVZYNBPGFDES-BPQIPLTHSA-N 0 0 451.405 4.535 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1OCC ZINC001456019371 1066476423 /nfs/dbraw/zinc/47/64/23/1066476423.db2.gz HFNWNVVXZQXBFF-UHFFFAOYSA-N 0 0 457.958 4.824 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC001456019854 1066477082 /nfs/dbraw/zinc/47/70/82/1066477082.db2.gz UILYUTKLHCDGCN-UHFFFAOYSA-N 0 0 451.832 4.859 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C(=O)OC(C)(C)C ZINC001456019490 1066477198 /nfs/dbraw/zinc/47/71/98/1066477198.db2.gz SELGSCXNUOGIIB-CMPLNLGQSA-N 0 0 455.483 4.592 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2)n1 ZINC001444569501 1066477684 /nfs/dbraw/zinc/47/76/84/1066477684.db2.gz RSOKJHMCLJKEDQ-DEOSSOPVSA-N 0 0 450.970 4.636 20 0 JJADRN CC[C@@]1(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001444568380 1066477755 /nfs/dbraw/zinc/47/77/55/1066477755.db2.gz PLHVCVWUHCPEKV-RDPSFJRHSA-N 0 0 451.007 4.792 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC001444569682 1066477780 /nfs/dbraw/zinc/47/77/80/1066477780.db2.gz ULLZPTYYHMLXBW-HMXCVIKNSA-N 0 0 451.007 4.696 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)ccn1 ZINC001456021235 1066478353 /nfs/dbraw/zinc/47/83/53/1066478353.db2.gz SAAHJVSGQVOTKE-UHFFFAOYSA-N 0 0 459.506 4.908 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001444572911 1066478693 /nfs/dbraw/zinc/47/86/93/1066478693.db2.gz YVEHKIBZZVAJPR-QHCPKHFHSA-N 0 0 452.938 4.702 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccccc1OC(F)F ZINC001456022531 1066479232 /nfs/dbraw/zinc/47/92/32/1066479232.db2.gz WGOIKQUOBFMNPB-HNAYVOBHSA-N 0 0 451.466 4.692 20 0 JJADRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595877 1066479263 /nfs/dbraw/zinc/47/92/63/1066479263.db2.gz GGISYYPYJLSCEQ-GOSISDBHSA-N 0 0 455.917 4.973 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(c3ccc(C)cc3)C2)n1 ZINC001361166940 1066479363 /nfs/dbraw/zinc/47/93/63/1066479363.db2.gz CCSNOBBWPRCZFY-IQGLISFBSA-N 0 0 453.656 4.842 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001456024309 1066479883 /nfs/dbraw/zinc/47/98/83/1066479883.db2.gz IDNHGCHCAKGHEQ-MRXNPFEDSA-N 0 0 451.498 4.825 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001456022736 1066479920 /nfs/dbraw/zinc/47/99/20/1066479920.db2.gz YZXJPMHQNJUGLY-UHFFFAOYSA-N 0 0 452.555 4.935 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)CC3)c2c1 ZINC001456024151 1066479951 /nfs/dbraw/zinc/47/99/51/1066479951.db2.gz DCJMWLODDYZHIN-NRFANRHFSA-N 0 0 456.583 4.665 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3CCSCC(F)(F)F)C2)cc1 ZINC001361167144 1066479995 /nfs/dbraw/zinc/47/99/95/1066479995.db2.gz IINPGKJUXNIHEA-NRFANRHFSA-N 0 0 497.974 4.695 20 0 JJADRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC001444599827 1066480204 /nfs/dbraw/zinc/48/02/04/1066480204.db2.gz IEWKYNUMJJTNMQ-AWEZNQCLSA-N 0 0 457.299 4.577 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3ccc(OC(F)(F)Cl)cc3)n[nH]2)cc(OC)c1 ZINC001444601372 1066480269 /nfs/dbraw/zinc/48/02/69/1066480269.db2.gz KHTHVZXSSJXSTE-UHFFFAOYSA-N 0 0 451.857 4.632 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)COCC3CCCCC3)cc2)c1 ZINC001456025015 1066480506 /nfs/dbraw/zinc/48/05/06/1066480506.db2.gz LMMZKJYCFQCUGB-HXUWFJFHSA-N 0 0 458.624 4.819 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCOC(C)C)C2)cc1 ZINC001361167602 1066480713 /nfs/dbraw/zinc/48/07/13/1066480713.db2.gz VCQOYKPCYQSWPJ-PRVBGKCFSA-N 0 0 484.685 4.808 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001456028207 1066481381 /nfs/dbraw/zinc/48/13/81/1066481381.db2.gz JECPDSDNZRFTSJ-LJQANCHMSA-N 0 0 453.329 4.621 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC4CCCC4)n3CCSCC(F)(F)F)C2)cc1 ZINC001361167945 1066481531 /nfs/dbraw/zinc/48/15/31/1066481531.db2.gz XKFBQKZLDVWMFR-QFIPXVFZSA-N 0 0 468.589 4.713 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)NC[C@H]3[C@@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)cs2)c1 ZINC001444608700 1066481591 /nfs/dbraw/zinc/48/15/91/1066481591.db2.gz MMQZJIJRFRYWJZ-APWZRJJASA-N 0 0 459.612 4.538 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444607354 1066481665 /nfs/dbraw/zinc/48/16/65/1066481665.db2.gz JVTRWJMHHVYLII-DENIHFKCSA-N 0 0 458.961 4.745 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2S(=O)(=O)CC)cc1OC ZINC001361168883 1066482013 /nfs/dbraw/zinc/48/20/13/1066482013.db2.gz OGNNLAJTLYSDDB-UHFFFAOYSA-N 0 0 453.988 4.988 20 0 JJADRN Cc1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1NC(=O)c1ccco1 ZINC001456030570 1066482713 /nfs/dbraw/zinc/48/27/13/1066482713.db2.gz INHBUUUEGYDNQQ-UHFFFAOYSA-N 0 0 452.938 4.972 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)/C(C)=C\c4ccc(OC)c(F)c4)CC3)c2c1 ZINC001456029900 1066483029 /nfs/dbraw/zinc/48/30/29/1066483029.db2.gz XKQPCQBYOJBYIT-VBKFSLOCSA-N 0 0 450.510 4.912 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(C(=O)OC(C)(C)C)c1 ZINC001456030627 1066483042 /nfs/dbraw/zinc/48/30/42/1066483042.db2.gz OZCRQGZRRHVPKS-XMMPIXPASA-N 0 0 458.558 4.930 20 0 JJADRN CCCCOCCN(C(=O)c1cc(F)c(OC)c(F)c1N)c1ccc(Br)cc1 ZINC001444613620 1066482999 /nfs/dbraw/zinc/48/29/99/1066482999.db2.gz DGILPTTWWUQOAJ-UHFFFAOYSA-N 0 0 457.315 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CCC(=O)N2CCCCCC2)o1 ZINC001361169638 1066483673 /nfs/dbraw/zinc/48/36/73/1066483673.db2.gz IGLYRYKDJGCKGC-NFVVUBBGSA-N 0 0 497.665 4.574 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2CCNS(=O)(=O)c2ccc(C)s2)o1 ZINC001361169516 1066483687 /nfs/dbraw/zinc/48/36/87/1066483687.db2.gz GOLWZSWEKFPCPN-LJQANCHMSA-N 0 0 499.662 4.701 20 0 JJADRN Cc1c(I)ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1C ZINC001456030937 1066483678 /nfs/dbraw/zinc/48/36/78/1066483678.db2.gz TYVYNEBXNZTFEL-MRXNPFEDSA-N 0 0 458.340 4.540 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC001456031088 1066483707 /nfs/dbraw/zinc/48/37/07/1066483707.db2.gz OGJQTJNJSBLENQ-CQSZACIVSA-N 0 0 453.391 4.975 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1 ZINC001444613873 1066483654 /nfs/dbraw/zinc/48/36/54/1066483654.db2.gz VMCGWTHYFIMCMC-UHFFFAOYSA-N 0 0 450.568 4.592 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC2(O)CCCCCC2)c(OC)c1 ZINC001444613958 1066483754 /nfs/dbraw/zinc/48/37/54/1066483754.db2.gz FLEDNLINXCWBAD-UHFFFAOYSA-N 0 0 450.579 4.986 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1NC(=O)c1cccs1 ZINC001444616697 1066484241 /nfs/dbraw/zinc/48/42/41/1066484241.db2.gz DBEXPOODRWEBBR-LPHOPBHVSA-N 0 0 457.596 4.684 20 0 JJADRN CCCCOCCN(C(=O)c1cccc(C[S@](C)=O)c1)c1ccc(Br)cc1 ZINC001444618255 1066484265 /nfs/dbraw/zinc/48/42/65/1066484265.db2.gz LBLZHBLHMXDELR-MHZLTWQESA-N 0 0 452.414 4.791 20 0 JJADRN C[C@@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444616720 1066484274 /nfs/dbraw/zinc/48/42/74/1066484274.db2.gz DJQWKMXDJGSOPU-CRAIPNDOSA-N 0 0 456.505 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2Cc2ccn(C)n2)cc1Br ZINC001361169805 1066484570 /nfs/dbraw/zinc/48/45/70/1066484570.db2.gz BJQCCROVWGSUNP-DNVCBOLYSA-N 0 0 457.420 4.813 20 0 JJADRN Cc1ccc(N(CCC(=O)Nc2cc(C3CCCC3)[nH]n2)S(=O)(=O)c2ccccc2)cc1 ZINC001444620601 1066484811 /nfs/dbraw/zinc/48/48/11/1066484811.db2.gz REHHMLBVGLVLFW-UHFFFAOYSA-N 0 0 452.580 4.600 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3cc4c(cccc4N(C)C)s3)n[nH]2)cc(OC)c1 ZINC001444618311 1066484895 /nfs/dbraw/zinc/48/48/95/1066484895.db2.gz LQGZBYITNVEIFA-UHFFFAOYSA-N 0 0 450.564 4.745 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444622975 1066485113 /nfs/dbraw/zinc/48/51/13/1066485113.db2.gz NBXRRLMHPAFZAF-RZIFZGNASA-N 0 0 457.905 4.526 20 0 JJADRN CCCCOCCN(C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)c1cccc(Br)c1 ZINC001444622192 1066485251 /nfs/dbraw/zinc/48/52/51/1066485251.db2.gz TYOBRJWGTHLRIJ-IBGZPJMESA-N 0 0 453.421 4.636 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)cc1Br ZINC001456034590 1066485277 /nfs/dbraw/zinc/48/52/77/1066485277.db2.gz ISIHTBZZOMRYII-QFIPXVFZSA-N 0 0 450.336 4.933 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC001444622415 1066485284 /nfs/dbraw/zinc/48/52/84/1066485284.db2.gz KNAULELSSNWKBC-NQIIRXRSSA-N 0 0 454.567 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCc2cnn(C)n2)cc1Br ZINC001361170658 1066485852 /nfs/dbraw/zinc/48/58/52/1066485852.db2.gz IFWBFZQPXJMYKP-OXJNMPFZSA-N 0 0 486.462 4.792 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC(C)CC3)n2CCc2cn[nH]c2)cc1Br ZINC001361171128 1066486392 /nfs/dbraw/zinc/48/63/92/1066486392.db2.gz NLUSDSZNZHUHHL-UHFFFAOYSA-N 0 0 457.420 4.997 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1cn(-c2ccc(Br)cc2)cn1 ZINC001361171223 1066487336 /nfs/dbraw/zinc/48/73/36/1066487336.db2.gz RJTGCKMDJQLCDV-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2CCc2ccn(C)n2)cc1Br ZINC001361171520 1066488036 /nfs/dbraw/zinc/48/80/36/1066488036.db2.gz VTOAARBSXRHJRP-INIZCTEOSA-N 0 0 469.387 4.783 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001456044623 1066489355 /nfs/dbraw/zinc/48/93/55/1066489355.db2.gz CVCUJZIWWMOSPP-HSZRJFAPSA-N 0 0 453.583 4.506 20 0 JJADRN O=C(COC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)Nc1ccccc1 ZINC001456044151 1066489374 /nfs/dbraw/zinc/48/93/74/1066489374.db2.gz NFKNQEGMYHFWEA-NRFANRHFSA-N 0 0 458.283 4.890 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001456044688 1066489436 /nfs/dbraw/zinc/48/94/36/1066489436.db2.gz DCTMMYXEZHFIMS-IAQYHMDHSA-N 0 0 457.543 4.567 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2COC)C1 ZINC001546078863 1066489499 /nfs/dbraw/zinc/48/94/99/1066489499.db2.gz ATWXUFSYJKFTKL-XXAUWVGASA-N 0 0 483.657 4.870 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001444664047 1066489496 /nfs/dbraw/zinc/48/94/96/1066489496.db2.gz ARFSCDKTSJQSGV-AUSIDOKSSA-N 0 0 454.364 4.537 20 0 JJADRN CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)C1CC1 ZINC001456044819 1066490043 /nfs/dbraw/zinc/49/00/43/1066490043.db2.gz DSVJDZUTFCQTJW-KRWDZBQOSA-N 0 0 451.375 4.922 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001456045046 1066490101 /nfs/dbraw/zinc/49/01/01/1066490101.db2.gz FQWOVTHHSBOUAN-QFIPXVFZSA-N 0 0 453.583 4.580 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001361172460 1066490140 /nfs/dbraw/zinc/49/01/40/1066490140.db2.gz DGRHWAKKMFCXRS-JOCHJYFZSA-N 0 0 454.680 4.967 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC001361173086 1066490742 /nfs/dbraw/zinc/49/07/42/1066490742.db2.gz NCZPSBSCBAFIOA-ZWKOTPCHSA-N 0 0 451.394 4.510 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC001456045457 1066490623 /nfs/dbraw/zinc/49/06/23/1066490623.db2.gz HJMZCCMRKCEHHM-MVPZIENHSA-N 0 0 453.435 4.716 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001361173133 1066490770 /nfs/dbraw/zinc/49/07/70/1066490770.db2.gz OINDKBWERUZDBU-QGZVFWFLSA-N 0 0 458.389 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@]2(O)CCCC2(C)C)cc1Br ZINC001361174120 1066491249 /nfs/dbraw/zinc/49/12/49/1066491249.db2.gz MYDRKTQQZATWQJ-VGOFRKELSA-N 0 0 479.488 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC2(F)CCC2)cc1Br ZINC001361174552 1066491264 /nfs/dbraw/zinc/49/12/64/1066491264.db2.gz UBAJABOQGFKIMR-UHFFFAOYSA-N 0 0 480.426 4.649 20 0 JJADRN CCC(CC)(CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)NC(=O)OC(C)(C)C ZINC001444672563 1066491426 /nfs/dbraw/zinc/49/14/26/1066491426.db2.gz ZWOHYDSMAJYJNH-UHFFFAOYSA-N 0 0 451.514 4.752 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001444673135 1066491573 /nfs/dbraw/zinc/49/15/73/1066491573.db2.gz IMJCEKOBFGKENK-NRFANRHFSA-N 0 0 455.396 4.820 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](CO)Cc2ccccc2)cc1C ZINC001444670559 1066491606 /nfs/dbraw/zinc/49/16/06/1066491606.db2.gz OSAHUDKOIYPSAP-VWLOTQADSA-N 0 0 453.586 4.796 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCSCC(C)C)o1 ZINC001361175158 1066492202 /nfs/dbraw/zinc/49/22/02/1066492202.db2.gz DSKVFRNDQBKCGO-UHFFFAOYSA-N 0 0 462.019 4.964 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1C ZINC001456048077 1066492290 /nfs/dbraw/zinc/49/22/90/1066492290.db2.gz JPPIEGSEACPWIV-FQEVSTJZSA-N 0 0 459.999 4.705 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N=[S@](C)(=O)C(C)C)cc1 ZINC001456047668 1066492307 /nfs/dbraw/zinc/49/23/07/1066492307.db2.gz DDLZGJWRVZULOP-GDLZYMKVSA-N 0 0 450.626 4.740 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Br)cc2)no1 ZINC001444678666 1066492329 /nfs/dbraw/zinc/49/23/29/1066492329.db2.gz VYBHJVXGDFMHMC-MRXNPFEDSA-N 0 0 456.123 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CC2(O)CCCCC2)cc1Br ZINC001361175182 1066492249 /nfs/dbraw/zinc/49/22/49/1066492249.db2.gz FPGYAWNUDFBBTC-UHFFFAOYSA-N 0 0 461.326 4.710 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001456049752 1066492830 /nfs/dbraw/zinc/49/28/30/1066492830.db2.gz TYWKYLNYRHBDKL-WFASDCNBSA-N 0 0 454.379 4.611 20 0 JJADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444689857 1066493575 /nfs/dbraw/zinc/49/35/75/1066493575.db2.gz JNRSNXUJVPUPPY-VVMIZEJSSA-N 0 0 452.595 4.870 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001456051249 1066493897 /nfs/dbraw/zinc/49/38/97/1066493897.db2.gz OGYGPRJANKWGLR-AUUYWEPGSA-N 0 0 452.498 4.748 20 0 JJADRN CO[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C ZINC001444699938 1066494512 /nfs/dbraw/zinc/49/45/12/1066494512.db2.gz AIACXGHTBJUGRC-SFHVURJKSA-N 0 0 459.395 4.585 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001361176209 1066494518 /nfs/dbraw/zinc/49/45/18/1066494518.db2.gz JVZZNKVZNAOYHY-UHFFFAOYSA-N 0 0 459.543 4.838 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001456053697 1066494559 /nfs/dbraw/zinc/49/45/59/1066494559.db2.gz WEMBESJRANOMEC-LJQANCHMSA-N 0 0 458.008 4.850 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1 ZINC001456053682 1066494637 /nfs/dbraw/zinc/49/46/37/1066494637.db2.gz PMFXJAYOIGCEPN-QHCPKHFHSA-N 0 0 450.535 4.964 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)cc3)n2Cc2ccc(F)cn2)o1 ZINC001361177386 1066495109 /nfs/dbraw/zinc/49/51/09/1066495109.db2.gz BNJSQDJRCTXNAV-UHFFFAOYSA-N 0 0 456.319 4.828 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001361176817 1066495126 /nfs/dbraw/zinc/49/51/26/1066495126.db2.gz WMDYDNPILOBQHU-UHFFFAOYSA-N 0 0 455.580 4.623 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)n1 ZINC001444704711 1066495146 /nfs/dbraw/zinc/49/51/46/1066495146.db2.gz LPHPEXFOWPYRAV-HNNXBMFYSA-N 0 0 451.552 4.608 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)ccc1O ZINC001444703965 1066495174 /nfs/dbraw/zinc/49/51/74/1066495174.db2.gz HEMCBAOWQJVTMR-UHFFFAOYSA-N 0 0 459.365 4.726 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OCc1ccccc1 ZINC001361177197 1066495226 /nfs/dbraw/zinc/49/52/26/1066495226.db2.gz WBHJRLLSFFMBMY-LJQANCHMSA-N 0 0 457.530 4.960 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)c(C)c3)cs2)c1 ZINC001456055859 1066495948 /nfs/dbraw/zinc/49/59/48/1066495948.db2.gz RFBKLSMKSSTVIM-OAQYLSRUSA-N 0 0 451.617 4.818 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545968751 1066496523 /nfs/dbraw/zinc/49/65/23/1066496523.db2.gz LAFMLUQVYQOFCS-DCFHFQCYSA-N 0 0 494.640 4.802 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545968750 1066496543 /nfs/dbraw/zinc/49/65/43/1066496543.db2.gz LAFMLUQVYQOFCS-CCLHPLFOSA-N 0 0 494.640 4.802 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361177646 1066496628 /nfs/dbraw/zinc/49/66/28/1066496628.db2.gz LLTREKSSIBERRJ-UHFFFAOYSA-N 0 0 496.431 4.832 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@](C)(O)c2ccsc2)o1 ZINC001361177592 1066496703 /nfs/dbraw/zinc/49/67/03/1066496703.db2.gz KAVIKKJSKRGDBS-HXUWFJFHSA-N 0 0 477.384 4.808 20 0 JJADRN COc1ccc([C@H](NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc2Cl)c(C)c1 ZINC001444710867 1066496734 /nfs/dbraw/zinc/49/67/34/1066496734.db2.gz SZXUYBOVFGAMDR-QHCPKHFHSA-N 0 0 457.357 4.946 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CCC(=O)NC2CCCCC2)o1 ZINC001361177881 1066497003 /nfs/dbraw/zinc/49/70/03/1066497003.db2.gz ASGLPYLULHEPPA-UHFFFAOYSA-N 0 0 487.551 4.923 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC001456058019 1066497462 /nfs/dbraw/zinc/49/74/62/1066497462.db2.gz YCNWBRJMNMKVIF-CRAIPNDOSA-N 0 0 451.361 4.622 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2Cc2cccc(Br)n2)o1 ZINC001361177974 1066497705 /nfs/dbraw/zinc/49/77/05/1066497705.db2.gz CXCRRCILJHEUHJ-UHFFFAOYSA-N 0 0 474.309 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCCc2nc3cc(F)ccc3[nH]2)c2ccccc21 ZINC001444729247 1066498046 /nfs/dbraw/zinc/49/80/46/1066498046.db2.gz NOOQKQQAAKHWAK-INIZCTEOSA-N 0 0 452.530 4.680 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3c(F)cccc3F)s2)cc1C ZINC001456062231 1066498898 /nfs/dbraw/zinc/49/88/98/1066498898.db2.gz ZLZUEZHRACJAFU-KRWDZBQOSA-N 0 0 459.543 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC[C@@H]3c3cncc(Br)c3)CCC[C@H]12 ZINC001456061616 1066498925 /nfs/dbraw/zinc/49/89/25/1066498925.db2.gz AKLOQMDOHFDCBU-KGVIQGDOSA-N 0 0 464.404 4.687 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(F)(F)c2ccc(Br)cc2)c(OC(F)F)c1 ZINC001456062057 1066498972 /nfs/dbraw/zinc/49/89/72/1066498972.db2.gz STZLCVDPZKWJCJ-UHFFFAOYSA-N 0 0 450.182 4.568 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)cc1 ZINC001444735445 1066499518 /nfs/dbraw/zinc/49/95/18/1066499518.db2.gz JHXDUUUNRDIHOU-UHFFFAOYSA-N 0 0 459.390 4.860 20 0 JJADRN COC[C@@](C)(O)CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC001444736358 1066499571 /nfs/dbraw/zinc/49/95/71/1066499571.db2.gz IGLMVKSESNAOMN-WCKUGHEZSA-N 0 0 454.929 4.641 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)Oc1ccc(Cl)cc1 ZINC001444736113 1066499582 /nfs/dbraw/zinc/49/95/82/1066499582.db2.gz VMBAAECXNWPRHY-ORAYPTAESA-N 0 0 454.901 4.768 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)Oc1ccc(Cl)cc1 ZINC001444736107 1066499595 /nfs/dbraw/zinc/49/95/95/1066499595.db2.gz VMBAAECXNWPRHY-BFUOFWGJSA-N 0 0 454.901 4.768 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546078982 1066499608 /nfs/dbraw/zinc/49/96/08/1066499608.db2.gz CXPIYUYBSNKBDV-FWUCURJTSA-N 0 0 464.701 4.753 20 0 JJADRN CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1F)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456063945 1066499677 /nfs/dbraw/zinc/49/96/77/1066499677.db2.gz HCXCROBBZDKYKK-QHCPKHFHSA-N 0 0 458.530 4.714 20 0 JJADRN C[C@@](O)(CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1F ZINC001444740302 1066500155 /nfs/dbraw/zinc/50/01/55/1066500155.db2.gz CAKAIGXUNLRYOV-HXUWFJFHSA-N 0 0 456.436 4.668 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456067066 1066500573 /nfs/dbraw/zinc/50/05/73/1066500573.db2.gz PSYGCELITOKSRU-LOSJGSFVSA-N 0 0 450.627 4.660 20 0 JJADRN CCN(C(=O)CN1c2ccccc2O[C@@H](C)C1=O)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067274 1066500791 /nfs/dbraw/zinc/50/07/91/1066500791.db2.gz QOWCPQGHJCBDCP-CCLHPLFOSA-N 0 0 457.574 4.957 20 0 JJADRN O=C(CCOCC(F)(F)F)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001444748812 1066500712 /nfs/dbraw/zinc/50/07/12/1066500712.db2.gz YWZJESZTNOZOKU-UHFFFAOYSA-N 0 0 456.262 4.755 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)Oc2cccc(F)c2)o1 ZINC001361180669 1066501092 /nfs/dbraw/zinc/50/10/92/1066501092.db2.gz DYDMZULKPXKTCD-OAHLLOKOSA-N 0 0 492.477 4.842 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2Br)no1 ZINC001361180384 1066501110 /nfs/dbraw/zinc/50/11/10/1066501110.db2.gz XKTHKMGASBZBSC-HXUWFJFHSA-N 0 0 457.324 4.538 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 ZINC001361180417 1066501184 /nfs/dbraw/zinc/50/11/84/1066501184.db2.gz AMEIPMMSQJOBCC-UHFFFAOYSA-N 0 0 452.356 4.997 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1 ZINC001456068128 1066501232 /nfs/dbraw/zinc/50/12/32/1066501232.db2.gz RLSAAVPXQCGVIU-UHFFFAOYSA-N 0 0 450.532 4.538 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CCCc2nccs2)cc1Br ZINC001361180915 1066501474 /nfs/dbraw/zinc/50/14/74/1066501474.db2.gz AYGOZMBMXYEOTF-UHFFFAOYSA-N 0 0 484.427 4.532 20 0 JJADRN CC(C)CC[C@@](C)(O)CNC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001444754701 1066501703 /nfs/dbraw/zinc/50/17/03/1066501703.db2.gz RFTMFLJPPDFKDU-HSZRJFAPSA-N 0 0 456.384 4.976 20 0 JJADRN C[C@](O)(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC001444758837 1066501730 /nfs/dbraw/zinc/50/17/30/1066501730.db2.gz VQCIMFFHLAIQMF-NRFANRHFSA-N 0 0 451.395 4.760 20 0 JJADRN C[C@@](O)(CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)cc1F ZINC001444754430 1066501777 /nfs/dbraw/zinc/50/17/77/1066501777.db2.gz PSUZBBUDCBUSFZ-OAQYLSRUSA-N 0 0 452.379 4.808 20 0 JJADRN CCN(CC1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC001444765303 1066502135 /nfs/dbraw/zinc/50/21/35/1066502135.db2.gz ACTNGSNNEJMJEZ-UYAOXDASSA-N 0 0 470.532 4.664 20 0 JJADRN CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456070761 1066502168 /nfs/dbraw/zinc/50/21/68/1066502168.db2.gz FULGQIQBUYDOSZ-VWLOTQADSA-N 0 0 458.949 4.592 20 0 JJADRN CCc1c(C(=O)N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC001444766099 1066502569 /nfs/dbraw/zinc/50/25/69/1066502569.db2.gz BJSJAZUOJLJNBI-UHFFFAOYSA-N 0 0 458.578 4.683 20 0 JJADRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC001444766198 1066502598 /nfs/dbraw/zinc/50/25/98/1066502598.db2.gz BWONRZZSVHJEAY-IBGZPJMESA-N 0 0 455.640 4.566 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCCSC2)cc1Br ZINC001361181263 1066502839 /nfs/dbraw/zinc/50/28/39/1066502839.db2.gz RZKIANZLCHWRNH-MRXNPFEDSA-N 0 0 475.460 4.529 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCSCCCO)cc1Br ZINC001361181265 1066502920 /nfs/dbraw/zinc/50/29/20/1066502920.db2.gz SBOZVSCCLNUKRO-UHFFFAOYSA-N 0 0 481.485 4.830 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361181650 1066503796 /nfs/dbraw/zinc/50/37/96/1066503796.db2.gz RRNICKOFXRGBON-UHFFFAOYSA-N 0 0 482.576 4.912 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545969125 1066503750 /nfs/dbraw/zinc/50/37/50/1066503750.db2.gz RMRPTFYRYVICLW-SJORKVTESA-N 0 0 478.037 4.906 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@]2(O)CCC[C@H]2C)o1 ZINC001361181782 1066504313 /nfs/dbraw/zinc/50/43/13/1066504313.db2.gz WJVDLKJTBJKMIT-CWTRNNRKSA-N 0 0 455.506 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccsc3)n2CCc2cn[nH]c2)cc1Br ZINC001361181761 1066504332 /nfs/dbraw/zinc/50/43/32/1066504332.db2.gz VXRGJRYJBAOFFK-UHFFFAOYSA-N 0 0 457.401 4.680 20 0 JJADRN O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC001456077499 1066504604 /nfs/dbraw/zinc/50/46/04/1066504604.db2.gz NIYVIQCEQCFMAA-CQSZACIVSA-N 0 0 455.234 4.596 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)C(F)F ZINC001444790927 1066504662 /nfs/dbraw/zinc/50/46/62/1066504662.db2.gz CFKLIDFMYGTENZ-INIZCTEOSA-N 0 0 456.436 4.922 20 0 JJADRN CCN(C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001444790342 1066504695 /nfs/dbraw/zinc/50/46/95/1066504695.db2.gz BMDOYJBOMKSWIQ-VXKWHMMOSA-N 0 0 450.595 4.657 20 0 JJADRN CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 ZINC001444789663 1066504714 /nfs/dbraw/zinc/50/47/14/1066504714.db2.gz YWLMQSUKXQTNIR-SSEXGKCCSA-N 0 0 457.573 4.652 20 0 JJADRN CCN(C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001444790305 1066504733 /nfs/dbraw/zinc/50/47/33/1066504733.db2.gz BMDOYJBOMKSWIQ-FCHUYYIVSA-N 0 0 450.595 4.657 20 0 JJADRN COC(=O)CC1(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)CCCCC1 ZINC001361182281 1066504807 /nfs/dbraw/zinc/50/48/07/1066504807.db2.gz QKXGLMNPMVDLFW-UHFFFAOYSA-N 0 0 459.593 4.881 20 0 JJADRN CCN(C(=O)CSCC(=O)N(C)C1CCCCC1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001456078885 1066505051 /nfs/dbraw/zinc/50/50/51/1066505051.db2.gz WRRNVDRBFLQVIG-AREMUKBSSA-N 0 0 453.652 4.852 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001444795376 1066505096 /nfs/dbraw/zinc/50/50/96/1066505096.db2.gz FLQIPRCZSMYAPH-BGWNEDDSSA-N 0 0 452.595 4.954 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545969306 1066505143 /nfs/dbraw/zinc/50/51/43/1066505143.db2.gz VOBOCBWYDMSEMK-KPFFTGBYSA-N 0 0 468.577 4.591 20 0 JJADRN Cn1nc(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1NC(=O)OC(C)(C)C ZINC001456080722 1066505446 /nfs/dbraw/zinc/50/54/46/1066505446.db2.gz VYQLCNUQYLBFNX-ZDUSSCGKSA-N 0 0 452.477 4.593 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456079863 1066505506 /nfs/dbraw/zinc/50/55/06/1066505506.db2.gz XIGYGADEKROUSS-YADARESESA-N 0 0 451.929 4.865 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C2CC2)nc1C ZINC001456079393 1066505584 /nfs/dbraw/zinc/50/55/84/1066505584.db2.gz YFXHTQPHEIDBCT-HUUCEWRRSA-N 0 0 454.470 4.826 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2ccon2)sc1C ZINC001361183583 1066506025 /nfs/dbraw/zinc/50/60/25/1066506025.db2.gz MSQZVNPJKHDFJI-UHFFFAOYSA-N 0 0 487.427 4.956 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[C@@H]2CCCCO2)cc1Br ZINC001361183545 1066506046 /nfs/dbraw/zinc/50/60/46/1066506046.db2.gz MHODKAGWAHFGLV-VQTJNVASSA-N 0 0 477.447 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[C@@H]2CCCCO2)cc1Br ZINC001361183543 1066506107 /nfs/dbraw/zinc/50/61/07/1066506107.db2.gz MHODKAGWAHFGLV-PMACEKPBSA-N 0 0 477.447 4.981 20 0 JJADRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC001444807002 1066506604 /nfs/dbraw/zinc/50/66/04/1066506604.db2.gz PPDZPBOZTTUELM-MSOLQXFVSA-N 0 0 459.331 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCCC(=O)N(C)C)cc1Br ZINC001361183975 1066506609 /nfs/dbraw/zinc/50/66/09/1066506609.db2.gz UTPOVZLNYHZLJZ-UHFFFAOYSA-N 0 0 476.463 4.901 20 0 JJADRN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)o2)cc1 ZINC001456087774 1066506938 /nfs/dbraw/zinc/50/69/38/1066506938.db2.gz NTOVIPMGEXHFKS-DEOSSOPVSA-N 0 0 453.542 4.746 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2CCOCC(F)F)cc1Br ZINC001361184373 1066506970 /nfs/dbraw/zinc/50/69/70/1066506970.db2.gz IBIFUQQYMRCMDD-UHFFFAOYSA-N 0 0 471.268 4.686 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC001456088965 1066506989 /nfs/dbraw/zinc/50/69/89/1066506989.db2.gz DXRYWAFNBRBJJG-JCMHNJIXSA-N 0 0 452.457 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCCc2nccs2)cc1Br ZINC001361184330 1066507228 /nfs/dbraw/zinc/50/72/28/1066507228.db2.gz GZDNTMWQNPWDOQ-KRWDZBQOSA-N 0 0 490.471 4.968 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546079304 1066507621 /nfs/dbraw/zinc/50/76/21/1066507621.db2.gz JJUUKUZUXIJHTM-AREMUKBSSA-N 0 0 483.613 4.844 20 0 JJADRN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC001444810068 1066507553 /nfs/dbraw/zinc/50/75/53/1066507553.db2.gz SXPRQPIKTNCPHG-ZDUSSCGKSA-N 0 0 459.420 4.569 20 0 JJADRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001444810166 1066507565 /nfs/dbraw/zinc/50/75/65/1066507565.db2.gz UEUDJKFZWULQNM-RPWUZVMVSA-N 0 0 452.576 4.557 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC001456089733 1066507763 /nfs/dbraw/zinc/50/77/63/1066507763.db2.gz FUTPJFWZVKYNEI-QFIPXVFZSA-N 0 0 459.329 4.877 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811394 1066508113 /nfs/dbraw/zinc/50/81/13/1066508113.db2.gz NYKHMXYHRPICBU-MOPGFXCFSA-N 0 0 450.601 4.681 20 0 JJADRN CCCc1cc(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)cc(=O)[nH]1 ZINC001456093880 1066508114 /nfs/dbraw/zinc/50/81/14/1066508114.db2.gz OVKCUGUBVVESRI-UHFFFAOYSA-N 0 0 450.198 4.615 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc1 ZINC001456093559 1066508127 /nfs/dbraw/zinc/50/81/27/1066508127.db2.gz FITCRDAYZDJHHL-LBPRGKRZSA-N 0 0 450.607 4.546 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001361184870 1066508613 /nfs/dbraw/zinc/50/86/13/1066508613.db2.gz BGGSXQVMYYJBCF-BWKNWUBXSA-N 0 0 456.583 4.979 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1OC ZINC001456097190 1066508947 /nfs/dbraw/zinc/50/89/47/1066508947.db2.gz FHPZQGSMLRNVPS-UHFFFAOYSA-N 0 0 455.308 4.716 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815031 1066508737 /nfs/dbraw/zinc/50/87/37/1066508737.db2.gz SXLIBUCXLYZPAM-IRXDYDNUSA-N 0 0 454.564 4.512 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815032 1066508795 /nfs/dbraw/zinc/50/87/95/1066508795.db2.gz SXLIBUCXLYZPAM-SJORKVTESA-N 0 0 454.564 4.512 20 0 JJADRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)C1 ZINC001444816074 1066508994 /nfs/dbraw/zinc/50/89/94/1066508994.db2.gz SBKHZLPVLMKCTC-VOQZNFBZSA-N 0 0 456.562 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c3CCCCC4)nc2)CC1 ZINC001456096990 1066508981 /nfs/dbraw/zinc/50/89/81/1066508981.db2.gz DLMVWYZIULQXBD-UHFFFAOYSA-N 0 0 450.583 4.660 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC001456098700 1066509004 /nfs/dbraw/zinc/50/90/04/1066509004.db2.gz AMKBYRFBFSCWRY-LJQANCHMSA-N 0 0 456.514 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)F)n2C[C@@H]2CSCCS2)cc1Br ZINC001361185101 1066509155 /nfs/dbraw/zinc/50/91/55/1066509155.db2.gz YOUBBMIBIQBFOQ-CQSZACIVSA-N 0 0 477.444 4.956 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 ZINC001361185331 1066509185 /nfs/dbraw/zinc/50/91/85/1066509185.db2.gz FUJWBQBYLQUPJB-UHFFFAOYSA-N 0 0 458.868 4.601 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](CCOC)C1)NC(=O)OC(C)(C)C ZINC001545969545 1066509321 /nfs/dbraw/zinc/50/93/21/1066509321.db2.gz ZNERNGWXNSDNCW-FPOVZHCZSA-N 0 0 494.640 4.659 20 0 JJADRN COC(=O)CCN(C(=O)c1cc2sc(Nc3ccccc3C)nc2s1)C1CCOCC1 ZINC001444817752 1066509494 /nfs/dbraw/zinc/50/94/94/1066509494.db2.gz WJZISERLNYYXMR-UHFFFAOYSA-N 0 0 459.593 4.594 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001444820848 1066509512 /nfs/dbraw/zinc/50/95/12/1066509512.db2.gz ACOMXFIPESCUIK-ZDUSSCGKSA-N 0 0 456.892 4.971 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)Cc3cc(Cl)cc(Cl)c3)CCCC2)cc1OC ZINC001361185758 1066509598 /nfs/dbraw/zinc/50/95/98/1066509598.db2.gz JQSDUDFGUTVQFZ-UHFFFAOYSA-N 0 0 451.350 4.621 20 0 JJADRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444821389 1066509782 /nfs/dbraw/zinc/50/97/82/1066509782.db2.gz YTIAEFPTMLIIDT-YADARESESA-N 0 0 458.599 4.543 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001545969577 1066509798 /nfs/dbraw/zinc/50/97/98/1066509798.db2.gz ZYAIOKLQGHXJDF-LJQANCHMSA-N 0 0 450.587 4.588 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)[C@@H](C)C2)cc1C ZINC001361186282 1066510172 /nfs/dbraw/zinc/51/01/72/1066510172.db2.gz PXQGQRIRKHVUAD-UNMCSNQZSA-N 0 0 454.014 4.546 20 0 JJADRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444821380 1066510050 /nfs/dbraw/zinc/51/00/50/1066510050.db2.gz YTIAEFPTMLIIDT-NTKDMRAZSA-N 0 0 458.599 4.543 20 0 JJADRN C[C@H](Sc1nnnn1C1CC1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444829588 1066510367 /nfs/dbraw/zinc/51/03/67/1066510367.db2.gz ULAYGOXMETVNEM-AWEZNQCLSA-N 0 0 453.534 4.526 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)NC(N)=O ZINC001444831250 1066510400 /nfs/dbraw/zinc/51/04/00/1066510400.db2.gz ZFOKATPWLBLAJX-IBGZPJMESA-N 0 0 451.489 4.607 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)C2 ZINC001361186771 1066510605 /nfs/dbraw/zinc/51/06/05/1066510605.db2.gz VYTRDECUZRJBLA-WWMYMODYSA-N 0 0 454.567 4.678 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 ZINC001444836870 1066511020 /nfs/dbraw/zinc/51/10/20/1066511020.db2.gz FVVPDGLHNWDUEN-MRXNPFEDSA-N 0 0 450.482 4.711 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC001456107592 1066510883 /nfs/dbraw/zinc/51/08/83/1066510883.db2.gz RGCQROVPULBQTO-GOSISDBHSA-N 0 0 456.543 4.515 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)CC(C)C ZINC001456108829 1066510907 /nfs/dbraw/zinc/51/09/07/1066510907.db2.gz LXGLBQDUZUCVMF-QGZVFWFLSA-N 0 0 454.283 4.693 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)CC(C)C ZINC001456108819 1066510947 /nfs/dbraw/zinc/51/09/47/1066510947.db2.gz LXGLBQDUZUCVMF-KRWDZBQOSA-N 0 0 454.283 4.693 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)o1 ZINC001444847403 1066511338 /nfs/dbraw/zinc/51/13/38/1066511338.db2.gz HBXQFWANCNWBAU-FVJLSDCUSA-N 0 0 456.587 4.903 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361187264 1066511408 /nfs/dbraw/zinc/51/14/08/1066511408.db2.gz KXNNFBVPMNPSEK-QFIPXVFZSA-N 0 0 493.471 4.584 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001456115752 1066511950 /nfs/dbraw/zinc/51/19/50/1066511950.db2.gz CXNXYHZEEUDAKI-FCHUYYIVSA-N 0 0 453.579 4.991 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001456116036 1066512027 /nfs/dbraw/zinc/51/20/27/1066512027.db2.gz JMGXJPYRGMGEBV-MBXJOHMKSA-N 0 0 455.392 4.876 20 0 JJADRN CC(=O)Nc1cccc(OCCNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1 ZINC001456114718 1066512097 /nfs/dbraw/zinc/51/20/97/1066512097.db2.gz CYHBVRUBMMJRSO-UHFFFAOYSA-N 0 0 459.518 4.520 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCO[C@H]2CCOC2)C1 ZINC001546079572 1066512409 /nfs/dbraw/zinc/51/24/09/1066512409.db2.gz PEJGCFNFGAFQAN-HOFKKMOUSA-N 0 0 470.658 4.977 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CCOC(C)(C)C)cc1Br ZINC001361187633 1066512551 /nfs/dbraw/zinc/51/25/51/1066512551.db2.gz ZCXSINRLEBBFJX-UHFFFAOYSA-N 0 0 478.460 4.967 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC001456116544 1066512613 /nfs/dbraw/zinc/51/26/13/1066512613.db2.gz TVLRTEHNUCHHNZ-VWLOTQADSA-N 0 0 456.542 4.718 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@H](C)N1CSCCSC1)CCO2 ZINC001444851795 1066512690 /nfs/dbraw/zinc/51/26/90/1066512690.db2.gz FYSJLKIREKXZFZ-AVRDEDQJSA-N 0 0 458.649 4.633 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001456117322 1066512934 /nfs/dbraw/zinc/51/29/34/1066512934.db2.gz ZYFROPYFXUMOQM-INIZCTEOSA-N 0 0 459.262 4.591 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001444854109 1066512982 /nfs/dbraw/zinc/51/29/82/1066512982.db2.gz YYMAUNXFAWGYIC-FBBABVLZSA-N 0 0 450.023 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC(C)(C)c2ccc(F)cc2)o1 ZINC001361188021 1066512974 /nfs/dbraw/zinc/51/29/74/1066512974.db2.gz KOBNREPIXLMVES-UHFFFAOYSA-N 0 0 469.605 4.510 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C[C@H](C)c2ccc(F)cc2)o1 ZINC001361187647 1066513216 /nfs/dbraw/zinc/51/32/16/1066513216.db2.gz AEFLNXOSPIBBNW-KRWDZBQOSA-N 0 0 453.562 4.532 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361187673 1066513224 /nfs/dbraw/zinc/51/32/24/1066513224.db2.gz BCBNOVLZXGMUFC-IYBDPMFKSA-N 0 0 483.560 4.521 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)c1 ZINC001456118486 1066513574 /nfs/dbraw/zinc/51/35/74/1066513574.db2.gz DHLRUBRQOPXGBZ-UHFFFAOYSA-N 0 0 458.530 4.841 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001546079638 1066513692 /nfs/dbraw/zinc/51/36/92/1066513692.db2.gz QPKUCFOBDIHNIZ-AREMUKBSSA-N 0 0 488.698 4.606 20 0 JJADRN CC(C)(C)Oc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1N ZINC001444858792 1066514126 /nfs/dbraw/zinc/51/41/26/1066514126.db2.gz RSLOEJQOJVZQSV-UHFFFAOYSA-N 0 0 456.178 4.901 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001456120317 1066514023 /nfs/dbraw/zinc/51/40/23/1066514023.db2.gz IJNOQKVPTMDXNR-HNNXBMFYSA-N 0 0 456.340 4.673 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001456120467 1066514187 /nfs/dbraw/zinc/51/41/87/1066514187.db2.gz HSGUSUWFFADRLB-LJQANCHMSA-N 0 0 451.364 4.656 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)[C@@H](C)C2)cc1C ZINC001361189415 1066514542 /nfs/dbraw/zinc/51/45/42/1066514542.db2.gz DLDQGGNRAMMNEC-URXFXBBRSA-N 0 0 451.611 4.649 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NCCc1cc(F)ccc1F ZINC001361189442 1066514589 /nfs/dbraw/zinc/51/45/89/1066514589.db2.gz DXZQLDPTDGDXIB-AWEZNQCLSA-N 0 0 457.302 4.887 20 0 JJADRN CCC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)C1 ZINC001444864106 1066514559 /nfs/dbraw/zinc/51/45/59/1066514559.db2.gz XJAOQXWXHNUNPJ-RUZDIDTESA-N 0 0 458.624 4.871 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)o1 ZINC001361188943 1066514685 /nfs/dbraw/zinc/51/46/85/1066514685.db2.gz QRYMRWKZHNFJNU-CSKARUKUSA-N 0 0 455.498 4.733 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(F)cc1OC(F)F ZINC001444864698 1066514781 /nfs/dbraw/zinc/51/47/81/1066514781.db2.gz OEANUEFTQYQJDQ-QGZVFWFLSA-N 0 0 450.360 4.816 20 0 JJADRN CCCc1c(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001361189785 1066515083 /nfs/dbraw/zinc/51/50/83/1066515083.db2.gz MQQPFUDZAVUHPY-LJQANCHMSA-N 0 0 452.002 4.841 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001456124961 1066515104 /nfs/dbraw/zinc/51/51/04/1066515104.db2.gz QTCOFHFNWZZWPA-INIZCTEOSA-N 0 0 453.174 4.779 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)cs2)cc1 ZINC001444875325 1066515368 /nfs/dbraw/zinc/51/53/68/1066515368.db2.gz ZBDQQPKGQNXCTH-NRFANRHFSA-N 0 0 450.482 4.777 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NCCc2cc(F)ccc2F)cs1 ZINC001361190539 1066515685 /nfs/dbraw/zinc/51/56/85/1066515685.db2.gz ZTUDDSOLQSSCGZ-UHFFFAOYSA-N 0 0 453.308 4.832 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 ZINC001546079762 1066515663 /nfs/dbraw/zinc/51/56/63/1066515663.db2.gz SSXUQWONAFZZOU-PGKWVRKKSA-N 0 0 497.684 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)o1 ZINC001361190569 1066515747 /nfs/dbraw/zinc/51/57/47/1066515747.db2.gz LLLGJQGIMBQOMK-UHFFFAOYSA-N 0 0 466.611 4.697 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C=C(\C)c2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444878126 1066516022 /nfs/dbraw/zinc/51/60/22/1066516022.db2.gz GOLSTXUDCPYIOL-YGMDYZATSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456127336 1066516162 /nfs/dbraw/zinc/51/61/62/1066516162.db2.gz WOBHOQGPAOSFGA-OAQYLSRUSA-N 0 0 454.542 4.745 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001456127961 1066516218 /nfs/dbraw/zinc/51/62/18/1066516218.db2.gz WWGFCYHTOPSNRT-UHFFFAOYSA-N 0 0 454.155 4.651 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC1 ZINC001444887306 1066516544 /nfs/dbraw/zinc/51/65/44/1066516544.db2.gz HQJDOBBJKSLGST-UHFFFAOYSA-N 0 0 455.502 4.893 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC001456129388 1066516734 /nfs/dbraw/zinc/51/67/34/1066516734.db2.gz VOWGFGAFHYWLIX-PKOBYXMFSA-N 0 0 459.587 4.936 20 0 JJADRN Cc1cnc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C2CC2)s1 ZINC001444895593 1066516861 /nfs/dbraw/zinc/51/68/61/1066516861.db2.gz VLWWAURBMOCCLY-NRFANRHFSA-N 0 0 455.605 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCN(c3ccccc3F)C2)o1 ZINC001361191031 1066516849 /nfs/dbraw/zinc/51/68/49/1066516849.db2.gz YCDGWKYSQZYYLB-LJQANCHMSA-N 0 0 455.578 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cc(Cc3ccccc3)ccc1O)C2 ZINC001456130347 1066517281 /nfs/dbraw/zinc/51/72/81/1066517281.db2.gz LGBMZEVLQNKWQO-HHHXNRCGSA-N 0 0 450.579 4.989 20 0 JJADRN CCc1cc(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001456133621 1066517758 /nfs/dbraw/zinc/51/77/58/1066517758.db2.gz RHFGCLLDQZXEEO-RUZDIDTESA-N 0 0 456.587 4.914 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)c2ccc(Cl)cc2)c1 ZINC001444918903 1066518205 /nfs/dbraw/zinc/51/82/05/1066518205.db2.gz OMWRRZNTCMBNKS-JOCHJYFZSA-N 0 0 456.926 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CCN2CCOCC2(C)C)cc1Br ZINC001361191411 1066518120 /nfs/dbraw/zinc/51/81/20/1066518120.db2.gz SBDKJPHKRGOVHS-UHFFFAOYSA-N 0 0 492.506 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)cc2C1 ZINC001456137786 1066518692 /nfs/dbraw/zinc/51/86/92/1066518692.db2.gz MOWBBRCSXFKQHW-FQEVSTJZSA-N 0 0 456.514 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCN2CCOCC2(C)C)o1 ZINC001361191574 1066518868 /nfs/dbraw/zinc/51/88/68/1066518868.db2.gz YVUUKMFPHHXPRU-UHFFFAOYSA-N 0 0 455.578 4.511 20 0 JJADRN C[C@@H]1CN(C(=O)CCn2ccc3cc(Cl)ccc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001444925317 1066518885 /nfs/dbraw/zinc/51/88/85/1066518885.db2.gz VEXPHGKSQWIOIE-QGZVFWFLSA-N 0 0 458.389 4.640 20 0 JJADRN CC[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1C ZINC001444935412 1066519205 /nfs/dbraw/zinc/51/92/05/1066519205.db2.gz DWOPACIYWKOSJJ-VHFRWLAGSA-N 0 0 452.595 4.894 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC001456140088 1066519725 /nfs/dbraw/zinc/51/97/25/1066519725.db2.gz VIZVSNFPSKPIMK-PMACEKPBSA-N 0 0 458.530 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccccc1 ZINC001456140093 1066519743 /nfs/dbraw/zinc/51/97/43/1066519743.db2.gz VIZVSNFPSKPIMK-UXHICEINSA-N 0 0 458.530 4.978 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2sccc2OC(F)F)C1 ZINC001456140319 1066519762 /nfs/dbraw/zinc/51/97/62/1066519762.db2.gz XPOHLIVXYRGIBF-FVUUGDKNSA-N 0 0 452.523 4.704 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456141336 1066520214 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/nfs/dbraw/zinc/52/10/64/1066521064.db2.gz DOWOEGGAJQMRQR-RBUKOAKNSA-N 0 0 454.567 4.898 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1c(Cl)cccc1Cl ZINC001456145656 1066521201 /nfs/dbraw/zinc/52/12/01/1066521201.db2.gz ARSDQVASSFIASN-INIZCTEOSA-N 0 0 451.369 4.618 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001456146863 1066521632 /nfs/dbraw/zinc/52/16/32/1066521632.db2.gz RZJBYCNAZSGKHY-QGZVFWFLSA-N 0 0 458.400 4.985 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)NC(=O)OC(C)(C)C ZINC001545970535 1066522140 /nfs/dbraw/zinc/52/21/40/1066522140.db2.gz GJMSUMQMRIMELH-ULYRPOKDSA-N 0 0 495.455 4.664 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)N(CCc1ccccc1)C1CC1 ZINC001456147894 1066522152 /nfs/dbraw/zinc/52/21/52/1066522152.db2.gz VVAWEAZYKMNHIY-UHFFFAOYSA-N 0 0 454.979 4.988 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)c3ccc(NCCn4ccnc4)cc3)CCCC2)cc1C ZINC001444955129 1066522445 /nfs/dbraw/zinc/52/24/45/1066522445.db2.gz LJKSCPQMFHQVDH-UHFFFAOYSA-N 0 0 459.594 4.541 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCCOC(C)C)cc1Br ZINC001361195715 1066522420 /nfs/dbraw/zinc/52/24/20/1066522420.db2.gz FDJDALDBKKGKMV-ROUUACIJSA-N 0 0 465.436 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361195568 1066522545 /nfs/dbraw/zinc/52/25/45/1066522545.db2.gz CXHTUONUQGVKIC-FZKQIMNGSA-N 0 0 488.869 4.874 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CCN(C)c2ccccc2)c1 ZINC001456148949 1066522453 /nfs/dbraw/zinc/52/24/53/1066522453.db2.gz RNRCNUJNAJXBCD-UHFFFAOYSA-N 0 0 454.574 4.815 20 0 JJADRN CCSc1ccc(CC(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c(Br)c1 ZINC001456148429 1066522619 /nfs/dbraw/zinc/52/26/19/1066522619.db2.gz WYKHKBNKEGSBCE-UHFFFAOYSA-N 0 0 458.381 4.780 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 ZINC001456150050 1066522960 /nfs/dbraw/zinc/52/29/60/1066522960.db2.gz OBUDOSWYQLTQAM-HSZRJFAPSA-N 0 0 457.615 4.701 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3Cl)C3CCCC3)CC2=O)c(OC)c1 ZINC001456149986 1066523012 /nfs/dbraw/zinc/52/30/12/1066523012.db2.gz HPWQZFGJXPZUOY-GOSISDBHSA-N 0 0 456.970 4.682 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1CSC)NC(=O)OC(C)(C)C ZINC001545970693 1066522894 /nfs/dbraw/zinc/52/28/94/1066522894.db2.gz KBYDMDXWSKXQSU-IAGOWNOFSA-N 0 0 463.623 4.719 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1nc2ccc(Br)cn2c1F ZINC001444959041 1066523037 /nfs/dbraw/zinc/52/30/37/1066523037.db2.gz PMFAPNASTYADFC-GOSISDBHSA-N 0 0 452.327 4.992 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2cc(Cl)cc(C)c2N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444963516 1066523517 /nfs/dbraw/zinc/52/35/17/1066523517.db2.gz ZPEUHOGTBDZCTK-QHCPKHFHSA-N 0 0 456.995 4.716 20 0 JJADRN CC(C)COc1ccc(C(C)(C)NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001456150908 1066523432 /nfs/dbraw/zinc/52/34/32/1066523432.db2.gz RXLIRNLUFVTWEE-IBGZPJMESA-N 0 0 459.384 4.961 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCOC(C)C)cc1Br ZINC001361196103 1066523431 /nfs/dbraw/zinc/52/34/31/1066523431.db2.gz KGYCJWASPOIGJL-QGZVFWFLSA-N 0 0 465.436 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361196223 1066523446 /nfs/dbraw/zinc/52/34/46/1066523446.db2.gz MAIKCVXZJQUNDM-IJEWVQPXSA-N 0 0 487.414 4.770 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc2cnccc2c1)NC(=O)OC(C)(C)C ZINC001545970934 1066523981 /nfs/dbraw/zinc/52/39/81/1066523981.db2.gz OWLUNBIWRJYIOL-JOCHJYFZSA-N 0 0 487.608 4.828 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC001444966128 1066524033 /nfs/dbraw/zinc/52/40/33/1066524033.db2.gz FLHRGAQVFKSVBB-AOMKIAJQSA-N 0 0 458.580 4.589 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC001456153825 1066524406 /nfs/dbraw/zinc/52/44/06/1066524406.db2.gz JMBPZTAQCJMTQD-UHFFFAOYSA-N 0 0 450.564 4.950 20 0 JJADRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2I)C1 ZINC001456152999 1066524541 /nfs/dbraw/zinc/52/45/41/1066524541.db2.gz XXSFWVLOKSWRDA-YPMHNXCESA-N 0 0 450.158 4.998 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)cs2)cc1 ZINC001456152759 1066524550 /nfs/dbraw/zinc/52/45/50/1066524550.db2.gz ZRNYNWAZPJEJLP-QHCPKHFHSA-N 0 0 455.624 4.852 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2Oc2cccc(F)c2)cc1 ZINC001456155815 1066524935 /nfs/dbraw/zinc/52/49/35/1066524935.db2.gz KJMJWBGLKBOETE-UHFFFAOYSA-N 0 0 456.539 4.579 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001444970672 1066524940 /nfs/dbraw/zinc/52/49/40/1066524940.db2.gz AYNWLZJLFQHKLE-ZCYQVOJMSA-N 0 0 450.485 4.799 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444974736 1066524972 /nfs/dbraw/zinc/52/49/72/1066524972.db2.gz PHCNTDOYIDDOFB-NTKDMRAZSA-N 0 0 458.599 4.543 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](c3ccc(C)cc3)c3cccc(S(C)(=O)=O)c3)[nH]n2)cc1 ZINC001444972947 1066525053 /nfs/dbraw/zinc/52/50/53/1066525053.db2.gz NDZJCZBLMQOWPD-VWLOTQADSA-N 0 0 459.571 4.616 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361197237 1066525422 /nfs/dbraw/zinc/52/54/22/1066525422.db2.gz YOEZRSHROLRRLR-KBXCAEBGSA-N 0 0 486.642 4.512 20 0 JJADRN O=C(c1cnc2c(Cl)cc(Br)cc2c1O)N(Cc1ccccc1)CC(F)F ZINC001444979594 1066525555 /nfs/dbraw/zinc/52/55/55/1066525555.db2.gz CLRYECDNJYLROX-UHFFFAOYSA-N 0 0 455.686 4.852 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545971153 1066525621 /nfs/dbraw/zinc/52/56/21/1066525621.db2.gz SIZOJWXCSQQJLT-MRXNPFEDSA-N 0 0 474.606 4.789 20 0 JJADRN COC[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccc(C)o1 ZINC001361197565 1066525856 /nfs/dbraw/zinc/52/58/56/1066525856.db2.gz QPHZPDGRPYIAEO-SFHVURJKSA-N 0 0 455.336 4.799 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2Cc2csc(C)c2)o1 ZINC001361197884 1066525866 /nfs/dbraw/zinc/52/58/66/1066525866.db2.gz AJFUBFZFFLRCKE-SFHVURJKSA-N 0 0 455.628 4.642 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CCS1 ZINC001444983104 1066526073 /nfs/dbraw/zinc/52/60/73/1066526073.db2.gz CBTGLFADIQWODY-IRXDYDNUSA-N 0 0 457.434 4.615 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@@H](C)c3ncon3)cc12 ZINC001456159817 1066526194 /nfs/dbraw/zinc/52/61/94/1066526194.db2.gz DHRNPDUBZFMMNB-SNVBAGLBSA-N 0 0 450.351 4.678 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)[C@@H](C)c1ccc(I)cc1)C(=O)OCC ZINC001456161582 1066526243 /nfs/dbraw/zinc/52/62/43/1066526243.db2.gz HDBXDPQSGDSEDV-MGPUTAFESA-N 0 0 459.368 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccnc(OC(F)F)c2)o1 ZINC001361197979 1066526327 /nfs/dbraw/zinc/52/63/27/1066526327.db2.gz DPEMYPWUOUIQBE-UHFFFAOYSA-N 0 0 455.387 4.590 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Sc2ccccc2)cc1 ZINC001456168280 1066527044 /nfs/dbraw/zinc/52/70/44/1066527044.db2.gz DVMBVDWJZCNZFY-GOSISDBHSA-N 0 0 454.617 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCOc2ccccc2C)o1 ZINC001361198407 1066527331 /nfs/dbraw/zinc/52/73/31/1066527331.db2.gz QNMJGEVKDOBQKO-OAQYLSRUSA-N 0 0 479.625 4.611 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)ccc2NC1=O ZINC001444992377 1066527568 /nfs/dbraw/zinc/52/75/68/1066527568.db2.gz VXNICTHJQISDIZ-NOZJJQNGSA-N 0 0 459.515 4.593 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)s1 ZINC001456170132 1066527467 /nfs/dbraw/zinc/52/74/67/1066527467.db2.gz AVCYSOMIXXBDGY-FQEVSTJZSA-N 0 0 450.048 4.885 20 0 JJADRN CCCc1c(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cnn1-c1cc(F)c(OC)cc1F ZINC001361199374 1066528102 /nfs/dbraw/zinc/52/81/02/1066528102.db2.gz QIPPBKLPJOUOCG-INIZCTEOSA-N 0 0 454.521 4.844 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2Cc2cc(C(C)(C)C)no2)o1 ZINC001361199322 1066528129 /nfs/dbraw/zinc/52/81/29/1066528129.db2.gz CLNDYUBBKMKSNN-QFIPXVFZSA-N 0 0 481.519 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2ccnc2C)o1 ZINC001361199186 1066528175 /nfs/dbraw/zinc/52/81/75/1066528175.db2.gz ACERESVVUXIIFF-PZJWPPBQSA-N 0 0 497.644 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC001444998159 1066528434 /nfs/dbraw/zinc/52/84/34/1066528434.db2.gz LFSPJPRKZXWMHQ-OAQYLSRUSA-N 0 0 450.992 4.758 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2nccs2)c2ccccc2)nn1-c1ccc(Br)cc1 ZINC001456175598 1066528903 /nfs/dbraw/zinc/52/89/03/1066528903.db2.gz CVDVTVQKDQSMJW-LJQANCHMSA-N 0 0 453.365 4.919 20 0 JJADRN CCn1cc(Br)c(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)n1 ZINC001456176020 1066529452 /nfs/dbraw/zinc/52/94/52/1066529452.db2.gz CRIFXGZAMIQUIX-ZDUSSCGKSA-N 0 0 459.207 4.737 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545971410 1066529488 /nfs/dbraw/zinc/52/94/88/1066529488.db2.gz XFXBMMYRPDBXPX-RKVPGOIHSA-N 0 0 451.974 4.696 20 0 JJADRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001445009849 1066529571 /nfs/dbraw/zinc/52/95/71/1066529571.db2.gz XABVREVBNUZZSB-IBGZPJMESA-N 0 0 456.999 4.874 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2cccc(-c3cccc(Br)c3)c2)c(O)c1 ZINC001456177902 1066529929 /nfs/dbraw/zinc/52/99/29/1066529929.db2.gz VQAUPAHMNSHVEW-UHFFFAOYSA-N 0 0 453.336 4.889 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361200241 1066530007 /nfs/dbraw/zinc/53/00/07/1066530007.db2.gz QJMFILIXJQDISS-FQEVSTJZSA-N 0 0 482.478 4.862 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@](C)(O)c2ccc(F)cc2)o1 ZINC001361200435 1066530397 /nfs/dbraw/zinc/53/03/97/1066530397.db2.gz WJTPJBVXQDCMRB-OAQYLSRUSA-N 0 0 452.452 4.672 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCCCO2)o1 ZINC001361200317 1066530406 /nfs/dbraw/zinc/53/04/06/1066530406.db2.gz SCCAWGKDHKXBLE-TZIWHRDSSA-N 0 0 487.645 4.935 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc3ccccc32)C1 ZINC001445028758 1066530964 /nfs/dbraw/zinc/53/09/64/1066530964.db2.gz AACQHNFNIMPZDY-IEBWSBKVSA-N 0 0 450.501 4.647 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001456179619 1066530903 /nfs/dbraw/zinc/53/09/03/1066530903.db2.gz UULJNKGENZUBGG-VUCTXSBTSA-N 0 0 466.003 4.631 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)CC3)n2CCc2nccnc2C)cc1Br ZINC001361201605 1066531323 /nfs/dbraw/zinc/53/13/23/1066531323.db2.gz FTTGSNLXQORIJD-UHFFFAOYSA-N 0 0 455.404 4.593 20 0 JJADRN CSc1cccc([C@@H](NC(=O)CCN2CSCCSC2)c2ccc(F)c(F)c2)c1 ZINC001445037147 1066531403 /nfs/dbraw/zinc/53/14/03/1066531403.db2.gz QJULCUGKGQLSKO-OAQYLSRUSA-N 0 0 454.633 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)o1 ZINC001361201510 1066531421 /nfs/dbraw/zinc/53/14/21/1066531421.db2.gz CIDSCAXOOBDZSH-RTBURBONSA-N 0 0 473.618 4.545 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001456180552 1066531446 /nfs/dbraw/zinc/53/14/46/1066531446.db2.gz WYKCXQCGRKYJQK-UHFFFAOYSA-N 0 0 457.523 4.687 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2ncccc2N(C)C)cc1Br ZINC001361201650 1066531464 /nfs/dbraw/zinc/53/14/64/1066531464.db2.gz GZPUGMOUOMWAEY-NVXWUHKLSA-N 0 0 469.431 4.760 20 0 JJADRN Cc1ccc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)NC(C)C ZINC001456185612 1066532314 /nfs/dbraw/zinc/53/23/14/1066532314.db2.gz BSROEJDYSJZVOT-UHFFFAOYSA-N 0 0 457.574 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCOCC(F)F)cc1Br ZINC001361202371 1066532438 /nfs/dbraw/zinc/53/24/38/1066532438.db2.gz OHSBPJWIMCEROM-UHFFFAOYSA-N 0 0 457.363 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361202159 1066532525 /nfs/dbraw/zinc/53/25/25/1066532525.db2.gz NCCZZZKFPNWKLB-KRWDZBQOSA-N 0 0 476.463 4.661 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001456185632 1066532582 /nfs/dbraw/zinc/53/25/82/1066532582.db2.gz AXAAMGUZLZPSEE-IBGZPJMESA-N 0 0 456.970 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361202963 1066532892 /nfs/dbraw/zinc/53/28/92/1066532892.db2.gz VYXURIXNVPNWAO-HZPDHXFCSA-N 0 0 463.504 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CCC(F)(F)CC2)cc1Br ZINC001361202733 1066532942 /nfs/dbraw/zinc/53/29/42/1066532942.db2.gz SVAUGWHYXSVJMY-NRFANRHFSA-N 0 0 496.400 4.543 20 0 JJADRN O=C(c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)N1CCc2ccc(Br)cc21 ZINC001456188344 1066532967 /nfs/dbraw/zinc/53/29/67/1066532967.db2.gz WVHWSGZVRKUFCU-UHFFFAOYSA-N 0 0 450.258 4.916 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361203880 1066533740 /nfs/dbraw/zinc/53/37/40/1066533740.db2.gz DVARFHRKHOLVIJ-KRWDZBQOSA-N 0 0 457.420 4.670 20 0 JJADRN O=C(NCCc1ccc(Br)cc1F)C(F)(F)c1cccc(Br)c1 ZINC001456192033 1066533649 /nfs/dbraw/zinc/53/36/49/1066533649.db2.gz HMOPHDRISAXPGU-UHFFFAOYSA-N 0 0 451.080 4.801 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC(=O)c3cc(F)cc(F)c3)cc12 ZINC001456191970 1066533802 /nfs/dbraw/zinc/53/38/02/1066533802.db2.gz QQZZMUGWXGTRJL-UHFFFAOYSA-N 0 0 459.905 4.999 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)c1ccc(C(=O)OCc3ccccc3)[nH]1)CC2 ZINC001456193871 1066533835 /nfs/dbraw/zinc/53/38/35/1066533835.db2.gz FJPKHUYIWNIHBU-UHFFFAOYSA-N 0 0 453.336 4.641 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCO[C@H](c4ccccc4C)C3)cc2)c(C)c1Br ZINC001445052415 1066533810 /nfs/dbraw/zinc/53/38/10/1066533810.db2.gz FCXOJNQWRIHRAO-NRFANRHFSA-N 0 0 454.368 4.774 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccccc2)o1 ZINC001361203988 1066534234 /nfs/dbraw/zinc/53/42/34/1066534234.db2.gz IITPGWUKMTVVHY-HXUWFJFHSA-N 0 0 451.571 4.588 20 0 JJADRN O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N1CCCc2cc(Br)cc(Cl)c21 ZINC001456194318 1066534246 /nfs/dbraw/zinc/53/42/46/1066534246.db2.gz SOPUJMBVJINACS-INIZCTEOSA-N 0 0 455.686 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCC[C@H]2C)cc1Br ZINC001361203973 1066534304 /nfs/dbraw/zinc/53/43/04/1066534304.db2.gz HQQJMUIWJJDHOV-UZLBHIALSA-N 0 0 488.474 4.934 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196951 1066534729 /nfs/dbraw/zinc/53/47/29/1066534729.db2.gz OSYRHGPNMVXDGU-GOSISDBHSA-N 0 0 458.183 4.655 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1 ZINC001445055237 1066534877 /nfs/dbraw/zinc/53/48/77/1066534877.db2.gz QCWTURFBSRLNAV-UTKZUKDTSA-N 0 0 452.576 4.684 20 0 JJADRN CCN(CC1CC1)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001456196401 1066534747 /nfs/dbraw/zinc/53/47/47/1066534747.db2.gz NEOGRMCRMXJIIJ-DEOSSOPVSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361204351 1066535091 /nfs/dbraw/zinc/53/50/91/1066535091.db2.gz UABKZQMBQUVRKL-ROUUACIJSA-N 0 0 467.536 4.835 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456198675 1066535227 /nfs/dbraw/zinc/53/52/27/1066535227.db2.gz XCQYDHXGVLCQRG-UQBPGWFLSA-N 0 0 450.623 4.938 20 0 JJADRN O=C(CC1(O)CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445058346 1066535143 /nfs/dbraw/zinc/53/51/43/1066535143.db2.gz UEMNMPAJPQDDES-UHFFFAOYSA-N 0 0 457.379 4.818 20 0 JJADRN Cc1cc(CCC(=O)Nc2ccc(I)c(C)n2)ccc1Br ZINC001361204855 1066535179 /nfs/dbraw/zinc/53/51/79/1066535179.db2.gz MDYHRHNLHBPPJK-UHFFFAOYSA-N 0 0 459.125 4.637 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@@H](c3ccccc3C)C2)cnn1-c1cc(F)c(OC)cc1F ZINC001445057721 1066535356 /nfs/dbraw/zinc/53/53/56/1066535356.db2.gz LXVYKPKVWSVXPL-XMMPIXPASA-N 0 0 455.505 4.634 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Br)cc1F ZINC001456198555 1066535341 /nfs/dbraw/zinc/53/53/41/1066535341.db2.gz XCHQDAXTGRYVLM-NRFANRHFSA-N 0 0 459.400 4.824 20 0 JJADRN Cc1nc(NC(=O)[C@H](C)c2ccc(Br)s2)ccc1I ZINC001361204706 1066535498 /nfs/dbraw/zinc/53/54/98/1066535498.db2.gz GDERWSWYLPWUEG-SSDOTTSWSA-N 0 0 451.127 4.561 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199864 1066535659 /nfs/dbraw/zinc/53/56/59/1066535659.db2.gz YYRLOGZVEWWQFI-CJFMBICVSA-N 0 0 450.627 4.624 20 0 JJADRN C[C@H]1Oc2c(cccc2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)NC1=O ZINC001445062110 1066535787 /nfs/dbraw/zinc/53/57/87/1066535787.db2.gz NLIQESICAAIYGB-OAHLLOKOSA-N 0 0 457.368 4.800 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)CC2 ZINC001456199945 1066535746 /nfs/dbraw/zinc/53/57/46/1066535746.db2.gz VINJCKZMPJNATN-HKUYNNGSSA-N 0 0 451.405 4.726 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)NCC2CCC(c3ccccc3)CC2)cc1Br ZINC001456199306 1066535866 /nfs/dbraw/zinc/53/58/66/1066535866.db2.gz TVBGENCWXWQCCM-UHFFFAOYSA-N 0 0 450.398 4.556 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(I)c(C)n2)c(OCCC(C)C)c1 ZINC001361204771 1066535927 /nfs/dbraw/zinc/53/59/27/1066535927.db2.gz JAXMUNAEMQIEEG-UHFFFAOYSA-N 0 0 454.308 4.680 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)c1cc3c([nH]c(=O)cc3C(F)(F)F)o1)CC2 ZINC001456200554 1066536315 /nfs/dbraw/zinc/53/63/15/1066536315.db2.gz YSQAACIDYRSIHS-UHFFFAOYSA-N 0 0 455.230 4.822 20 0 JJADRN O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC001445072462 1066536183 /nfs/dbraw/zinc/53/61/83/1066536183.db2.gz HELJARYNXQINFY-NRFANRHFSA-N 0 0 450.926 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)c3ccccc3OC3CCCCC3)CC2)C1 ZINC001456201023 1066536804 /nfs/dbraw/zinc/53/68/04/1066536804.db2.gz SMVGLMJQLNFTOE-UHFFFAOYSA-N 0 0 458.599 4.640 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC001456201842 1066536826 /nfs/dbraw/zinc/53/68/26/1066536826.db2.gz KTQGDTURZABFEE-HSZRJFAPSA-N 0 0 455.526 4.792 20 0 JJADRN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1ccc(I)cc1Cl ZINC001445080879 1066536772 /nfs/dbraw/zinc/53/67/72/1066536772.db2.gz SBOFFJISDXSENZ-UHFFFAOYSA-N 0 0 451.732 4.575 20 0 JJADRN COC[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445081109 1066536843 /nfs/dbraw/zinc/53/68/43/1066536843.db2.gz KLSOPQBEVQBGSS-RUZDIDTESA-N 0 0 456.587 4.823 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@H](C)C(=O)Nc2ccccc2)s1 ZINC001456204027 1066537234 /nfs/dbraw/zinc/53/72/34/1066537234.db2.gz YIEDMYXVXLZULK-CYBMUJFWSA-N 0 0 452.561 4.642 20 0 JJADRN CCOc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 ZINC001456202374 1066537312 /nfs/dbraw/zinc/53/73/12/1066537312.db2.gz LAFPVZGFNRKHNG-KDYSTLNUSA-N 0 0 450.623 4.640 20 0 JJADRN O=C(c1cccc(Nc2nccc(C(F)(F)F)n2)c1)N1CC(OCCCc2ccccc2)C1 ZINC001445083065 1066537487 /nfs/dbraw/zinc/53/74/87/1066537487.db2.gz UICUSEJJROIFNU-UHFFFAOYSA-N 0 0 456.468 4.713 20 0 JJADRN COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC001456205119 1066537649 /nfs/dbraw/zinc/53/76/49/1066537649.db2.gz QGRHNQRQOZWBMQ-LJQANCHMSA-N 0 0 452.551 4.565 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1c(F)cccc1I ZINC001456206300 1066537660 /nfs/dbraw/zinc/53/76/60/1066537660.db2.gz ZPTZHMVEGWBNMD-INIZCTEOSA-N 0 0 459.274 4.793 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)C1=O ZINC001445086002 1066538039 /nfs/dbraw/zinc/53/80/39/1066538039.db2.gz XLYYYUVYVWCELI-GOSISDBHSA-N 0 0 456.951 4.644 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001456208969 1066538195 /nfs/dbraw/zinc/53/81/95/1066538195.db2.gz FYIYOSIHNYTDCI-BDJLRTHQSA-N 0 0 458.436 4.793 20 0 JJADRN CCc1cc(C(=O)N2CC(OCCCOc3ccccc3)C2)c2c(CC(C)(C)C)noc2n1 ZINC001445091122 1066538642 /nfs/dbraw/zinc/53/86/42/1066538642.db2.gz PEEWELLIMSAWLN-UHFFFAOYSA-N 0 0 451.567 4.684 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CC(OCCCOc2ccccc2)C1 ZINC001445096124 1066539156 /nfs/dbraw/zinc/53/91/56/1066539156.db2.gz WQFQIJQAFQKJDS-UHFFFAOYSA-N 0 0 456.995 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCCc2cnn(C)c2)cc1Br ZINC001361207030 1066539204 /nfs/dbraw/zinc/53/92/04/1066539204.db2.gz GLGVDPXHXZSGSO-UHFFFAOYSA-N 0 0 479.373 4.618 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)nn1-c1ccccc1F ZINC001456216733 1066539481 /nfs/dbraw/zinc/53/94/81/1066539481.db2.gz ZPVHBMVKIJMQQX-UHFFFAOYSA-N 0 0 452.877 4.847 20 0 JJADRN C[C@@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Cl)cc2c1OCC2 ZINC001456218427 1066539498 /nfs/dbraw/zinc/53/94/98/1066539498.db2.gz YNUQFAURGLKVNT-RHSMWYFYSA-N 0 0 452.979 4.604 20 0 JJADRN COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1Br ZINC001456216670 1066539524 /nfs/dbraw/zinc/53/95/24/1066539524.db2.gz DWHMWQOGMFYWGK-UHFFFAOYSA-N 0 0 455.287 4.826 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC001456215946 1066539552 /nfs/dbraw/zinc/53/95/52/1066539552.db2.gz QWIARJRZLLOLNB-OAHLLOKOSA-N 0 0 458.580 4.613 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445100745 1066539586 /nfs/dbraw/zinc/53/95/86/1066539586.db2.gz YUIJKNPQEBBEDI-CHWSQXEVSA-N 0 0 455.393 4.592 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001456216028 1066539591 /nfs/dbraw/zinc/53/95/91/1066539591.db2.gz RMHRSOSKWOFTFR-MRXNPFEDSA-N 0 0 459.340 4.852 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2CCCCOC(C)C)o1 ZINC001361207197 1066539743 /nfs/dbraw/zinc/53/97/43/1066539743.db2.gz MUFMAQRDXICZPK-NRFANRHFSA-N 0 0 484.576 4.591 20 0 JJADRN COc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1Br ZINC001456220597 1066539865 /nfs/dbraw/zinc/53/98/65/1066539865.db2.gz SFQOVCLPHHGSDP-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001456219002 1066539904 /nfs/dbraw/zinc/53/99/04/1066539904.db2.gz YCTDMWBUASOXAN-UHFFFAOYSA-N 0 0 450.218 4.554 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC4(C3)CCCCCC4)cc(C(C)C)nc21 ZINC001445125647 1066540005 /nfs/dbraw/zinc/54/00/05/1066540005.db2.gz QDAOAGHYMHETGB-UHFFFAOYSA-N 0 0 454.615 4.853 20 0 JJADRN C[C@H](O)c1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)cc1 ZINC001445131700 1066540140 /nfs/dbraw/zinc/54/01/40/1066540140.db2.gz XGHUISYGZIKBTC-VIFPVBQESA-N 0 0 450.103 4.581 20 0 JJADRN O=C([C@@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CC[C@H](c2cnccn2)C1 ZINC001456222241 1066540399 /nfs/dbraw/zinc/54/03/99/1066540399.db2.gz WVWURWANNLICLY-KKSFZXQISA-N 0 0 456.315 4.514 20 0 JJADRN Cc1nc(Br)sc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001456224274 1066540439 /nfs/dbraw/zinc/54/04/39/1066540439.db2.gz KHGVFBRSLPBAOW-UHFFFAOYSA-N 0 0 457.415 4.714 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2ccc(F)cc2)o1 ZINC001361207604 1066540550 /nfs/dbraw/zinc/54/05/50/1066540550.db2.gz WDHJMHMZIRLDCL-OXJNMPFZSA-N 0 0 469.561 4.893 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC001445156792 1066540609 /nfs/dbraw/zinc/54/06/09/1066540609.db2.gz CDIVQHPIYAYHCW-UHFFFAOYSA-N 0 0 457.600 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCOc2c(C)cccc2C)o1 ZINC001361207696 1066540949 /nfs/dbraw/zinc/54/09/49/1066540949.db2.gz XISJWTVSZCWYEP-OAQYLSRUSA-N 0 0 495.624 4.988 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCS[C@H](C(C)C)C1)Oc1ccccc1F ZINC001545972368 1066541105 /nfs/dbraw/zinc/54/11/05/1066541105.db2.gz DYNIDEWSVDUCIH-GCJKJVERSA-N 0 0 457.619 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCO2)cc1Br ZINC001361208528 1066541253 /nfs/dbraw/zinc/54/12/53/1066541253.db2.gz BAAYCNFJLYDSAK-LJQANCHMSA-N 0 0 463.420 4.589 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(S(=O)(=O)c4ccccc4)CC3)n2CCCC(C)C)o1 ZINC001361209050 1066541659 /nfs/dbraw/zinc/54/16/59/1066541659.db2.gz KFEZLLKAFQRRRT-UHFFFAOYSA-N 0 0 456.612 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC[C@@H]4CCCCO4)CC3)n2CCSC(F)(F)F)o1 ZINC001361209035 1066541715 /nfs/dbraw/zinc/54/17/15/1066541715.db2.gz KAZFMUSLEHHRSY-KRWDZBQOSA-N 0 0 474.549 4.654 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ncsc1Nc1ccccc1C ZINC001445163798 1066541804 /nfs/dbraw/zinc/54/18/04/1066541804.db2.gz QMUXFOCEUMBQBF-UHFFFAOYSA-N 0 0 458.971 4.924 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445164689 1066541839 /nfs/dbraw/zinc/54/18/39/1066541839.db2.gz PKZMMLBHHJOFRE-MOPGFXCFSA-N 0 0 452.576 4.808 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001456236384 1066541881 /nfs/dbraw/zinc/54/18/81/1066541881.db2.gz FCKYTECKOUMWTP-RBBKRZOGSA-N 0 0 452.352 4.861 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001456238335 1066541914 /nfs/dbraw/zinc/54/19/14/1066541914.db2.gz CYWYIYJAVXDFTA-DQEYMECFSA-N 0 0 456.558 4.571 20 0 JJADRN O=C(c1cc2c(Br)cccc2cn1)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001456235717 1066541923 /nfs/dbraw/zinc/54/19/23/1066541923.db2.gz MATQJSWNXKGXHN-UHFFFAOYSA-N 0 0 453.262 4.759 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1Br ZINC001361209073 1066542248 /nfs/dbraw/zinc/54/22/48/1066542248.db2.gz KNCUBPZCZBCAGZ-SFHVURJKSA-N 0 0 477.447 4.836 20 0 JJADRN COc1cccc(CNC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c1OC1CCCC1 ZINC001456238791 1066542188 /nfs/dbraw/zinc/54/21/88/1066542188.db2.gz FZRCRJHACOEDMY-UHFFFAOYSA-N 0 0 453.514 4.763 20 0 JJADRN O=C(CNC(=O)c1cc2ccccc2cc1OC(F)F)N1CCC(Cc2ccccc2)CC1 ZINC001445167393 1066542207 /nfs/dbraw/zinc/54/22/07/1066542207.db2.gz UJSWBAHUHIEMRT-UHFFFAOYSA-N 0 0 452.501 4.652 20 0 JJADRN COc1cccc(CNC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)c1OC1CCCC1 ZINC001456238622 1066542375 /nfs/dbraw/zinc/54/23/75/1066542375.db2.gz DFXUFUOSMBOCAV-HNNXBMFYSA-N 0 0 452.473 4.980 20 0 JJADRN COc1cccc(CNC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)c1OC1CCCC1 ZINC001456239794 1066542774 /nfs/dbraw/zinc/54/27/74/1066542774.db2.gz IOWRKNFGTNWTKD-UHFFFAOYSA-N 0 0 451.466 4.565 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(Cl)c2OC(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC001456239727 1066542784 /nfs/dbraw/zinc/54/27/84/1066542784.db2.gz BYGQERSFWRHTPS-UHFFFAOYSA-N 0 0 450.988 4.863 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361209328 1066542841 /nfs/dbraw/zinc/54/28/41/1066542841.db2.gz UNUUHOWZEJCZRR-OAQYLSRUSA-N 0 0 485.629 4.665 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCc4ccccc4)CC3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361209366 1066542872 /nfs/dbraw/zinc/54/28/72/1066542872.db2.gz VOPBAIWQSDJUPO-UHFFFAOYSA-N 0 0 495.624 4.947 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361210164 1066543317 /nfs/dbraw/zinc/54/33/17/1066543317.db2.gz CHOQJJRYGUYQIK-UHFFFAOYSA-N 0 0 469.561 4.852 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC001456241162 1066543401 /nfs/dbraw/zinc/54/34/01/1066543401.db2.gz KBEUMFVEWJFMFK-KKUQBAQOSA-N 0 0 452.595 4.858 20 0 JJADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001456243288 1066543561 /nfs/dbraw/zinc/54/35/61/1066543561.db2.gz BVSGJFSCELHUAR-OXJNMPFZSA-N 0 0 452.414 4.715 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445177480 1066543737 /nfs/dbraw/zinc/54/37/37/1066543737.db2.gz JOKGQUKMSSHRQK-NPMXOYFQSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC001456243764 1066544148 /nfs/dbraw/zinc/54/41/48/1066544148.db2.gz GNRNDLCRHFHGBN-UHFFFAOYSA-N 0 0 450.347 4.724 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)o1 ZINC001361210575 1066544176 /nfs/dbraw/zinc/54/41/76/1066544176.db2.gz OMYWNCIVMKRSPN-HXUWFJFHSA-N 0 0 450.587 4.861 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001445190964 1066544218 /nfs/dbraw/zinc/54/42/18/1066544218.db2.gz YIDHXWILTAEWCB-HXUWFJFHSA-N 0 0 459.468 4.839 20 0 JJADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001456243290 1066544304 /nfs/dbraw/zinc/54/43/04/1066544304.db2.gz BVSGJFSCELHUAR-OXQOHEQNSA-N 0 0 452.414 4.715 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001456244518 1066544357 /nfs/dbraw/zinc/54/43/57/1066544357.db2.gz KFPIELIMINPNJR-VXKWHMMOSA-N 0 0 451.485 4.993 20 0 JJADRN COC[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1cccc(C(F)(F)F)c1 ZINC001456244896 1066544603 /nfs/dbraw/zinc/54/46/03/1066544603.db2.gz LEXNWBSTAXFYNK-GOSISDBHSA-N 0 0 451.420 4.721 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2OCc2ccccc2)o1 ZINC001445194686 1066544670 /nfs/dbraw/zinc/54/46/70/1066544670.db2.gz VODNMPWFQWJACS-UHFFFAOYSA-N 0 0 458.308 4.728 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CCSCCCO)cc1Br ZINC001361211174 1066544961 /nfs/dbraw/zinc/54/49/61/1066544961.db2.gz YTBDIXRPZLGPPH-LPHOPBHVSA-N 0 0 465.461 4.510 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCCOC4)n2CCCOC(C)C)cc1Br ZINC001361211147 1066545082 /nfs/dbraw/zinc/54/50/82/1066545082.db2.gz YHLXEGDPPLHTRK-QHCPKHFHSA-N 0 0 477.447 4.838 20 0 JJADRN COC(=O)c1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c(F)c1 ZINC001445213746 1066545211 /nfs/dbraw/zinc/54/52/11/1066545211.db2.gz FWZAMACNEUFIMQ-UHFFFAOYSA-N 0 0 455.873 4.840 20 0 JJADRN CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC001445209716 1066545261 /nfs/dbraw/zinc/54/52/61/1066545261.db2.gz DCSDDHISJPYFIQ-KNQAVFIVSA-N 0 0 459.656 4.866 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC ZINC001456246122 1066545327 /nfs/dbraw/zinc/54/53/27/1066545327.db2.gz GNDCSLZFOSFFSZ-YOSAUDMPSA-N 0 0 453.970 4.749 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545972586 1066545383 /nfs/dbraw/zinc/54/53/83/1066545383.db2.gz IVFVCRFMGDOJKH-FCEUIQTBSA-N 0 0 478.641 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](c4nc(C)c(C)s4)C3)n2CCCCCS(C)(=O)=O)o1 ZINC001361211772 1066545598 /nfs/dbraw/zinc/54/55/98/1066545598.db2.gz ACZRJCVYFLLJIR-IBGZPJMESA-N 0 0 491.683 4.519 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(C)(COC)CC1)Oc1cccc(F)c1 ZINC001545972616 1066545831 /nfs/dbraw/zinc/54/58/31/1066545831.db2.gz JGQFSNUROYIMMQ-OAQYLSRUSA-N 0 0 453.562 4.590 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@H](c3ccncc3)C3CCCCC3)CC2)cs1 ZINC001445218738 1066546091 /nfs/dbraw/zinc/54/60/91/1066546091.db2.gz XCMWRRMTOIZCNG-XXBNENTESA-N 0 0 456.656 4.644 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Br)ccc1NC1CC1 ZINC001445218068 1066546227 /nfs/dbraw/zinc/54/62/27/1066546227.db2.gz PLMLINWLQYMSEB-UHFFFAOYSA-N 0 0 450.764 4.826 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361212084 1066546479 /nfs/dbraw/zinc/54/64/79/1066546479.db2.gz GVRUKTBUVNFXTJ-GJZGRUSLSA-N 0 0 491.327 4.922 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(I)c(F)c3)s2)c1 ZINC001456251814 1066546473 /nfs/dbraw/zinc/54/64/73/1066546473.db2.gz MEERZFBCQMWSFF-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001545972692 1066546600 /nfs/dbraw/zinc/54/66/00/1066546600.db2.gz KPMIECHINIXAPM-QFIPXVFZSA-N 0 0 478.641 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361212335 1066546849 /nfs/dbraw/zinc/54/68/49/1066546849.db2.gz LWVABWWKPOZVFE-UHFFFAOYSA-N 0 0 474.447 4.688 20 0 JJADRN CC(C)Nc1ccc(Br)cc1NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC001445223930 1066546996 /nfs/dbraw/zinc/54/69/96/1066546996.db2.gz OIIZYBYOINAUKS-UHFFFAOYSA-N 0 0 458.278 4.951 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001456254070 1066546991 /nfs/dbraw/zinc/54/69/91/1066546991.db2.gz NTDHJINMUCCSQA-UHFFFAOYSA-N 0 0 451.441 4.949 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC001545972735 1066547134 /nfs/dbraw/zinc/54/71/34/1066547134.db2.gz LTODPCKGEIOEHP-NHCUHLMSSA-N 0 0 476.625 4.980 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)o1 ZINC001361212261 1066547014 /nfs/dbraw/zinc/54/70/14/1066547014.db2.gz KPUBDKMTBHUHCO-OAQYLSRUSA-N 0 0 489.661 4.993 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(C)c2C)cc1 ZINC001456254881 1066547509 /nfs/dbraw/zinc/54/75/09/1066547509.db2.gz KCYXYFYGNHZNOH-IBGZPJMESA-N 0 0 452.576 4.628 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CCCOC[C@@H]2CCCO2)cc1Br ZINC001361212489 1066547460 /nfs/dbraw/zinc/54/74/60/1066547460.db2.gz MVEUQFVYBGUZCF-XLIONFOSSA-N 0 0 477.447 4.838 20 0 JJADRN Cn1c(C(=O)N2CCc3c(F)ccc(F)c3C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001445228493 1066547464 /nfs/dbraw/zinc/54/74/64/1066547464.db2.gz GYBMBFAVYIWHKR-OAQYLSRUSA-N 0 0 459.537 4.964 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229877 1066547653 /nfs/dbraw/zinc/54/76/53/1066547653.db2.gz DAEIFOOUIRXUCN-QZRIICMGSA-N 0 0 457.423 4.621 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC=C(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545972909 1066548072 /nfs/dbraw/zinc/54/80/72/1066548072.db2.gz PGRZJPNVTMZXRT-FQEVSTJZSA-N 0 0 454.619 4.826 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2Cc2cscc2C)o1 ZINC001361213539 1066548186 /nfs/dbraw/zinc/54/81/86/1066548186.db2.gz YXHABPARLDLEQP-SFHVURJKSA-N 0 0 455.628 4.643 20 0 JJADRN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1ccccc1Sc1ccc(Br)cn1 ZINC001456261135 1066548507 /nfs/dbraw/zinc/54/85/07/1066548507.db2.gz YACMOSSYWUTATN-NQIIRXRSSA-N 0 0 455.377 4.774 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](CC)CC3)c2)cc1 ZINC001456263369 1066549408 /nfs/dbraw/zinc/54/94/08/1066549408.db2.gz DDULILUSLPWMNZ-HXUWFJFHSA-N 0 0 458.624 4.871 20 0 JJADRN CCOc1cc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)cc(OCC)c1OCC ZINC001456265494 1066549429 /nfs/dbraw/zinc/54/94/29/1066549429.db2.gz FITPGIVUJPGATF-UHFFFAOYSA-N 0 0 454.567 4.542 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC(F)(F)c2ccccc2)o1 ZINC001361214087 1066549608 /nfs/dbraw/zinc/54/96/08/1066549608.db2.gz IFXQSHAMSBZFSP-IBGZPJMESA-N 0 0 471.552 4.770 20 0 JJADRN O=C(CN(C(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1)N1CCCCC1 ZINC001456265532 1066549843 /nfs/dbraw/zinc/54/98/43/1066549843.db2.gz GFFHKCJYPIHTKQ-UHFFFAOYSA-N 0 0 453.739 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCC(C)(C)O)cc1Br ZINC001361214111 1066549813 /nfs/dbraw/zinc/54/98/13/1066549813.db2.gz IVMUCOKDPIRBIC-SFHVURJKSA-N 0 0 479.463 4.961 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC(C)C)cc1Br ZINC001361214406 1066550163 /nfs/dbraw/zinc/55/01/63/1066550163.db2.gz ORGHRYKYOLAOGJ-IBGZPJMESA-N 0 0 476.463 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCC(C)C)cc1Br ZINC001361214407 1066550722 /nfs/dbraw/zinc/55/07/22/1066550722.db2.gz ORGHRYKYOLAOGJ-LJQANCHMSA-N 0 0 476.463 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[C@@](C)(O)c2ccccc2)o1 ZINC001361214597 1066550793 /nfs/dbraw/zinc/55/07/93/1066550793.db2.gz SKUSJUGFZAURFX-WMZHIEFXSA-N 0 0 478.515 4.692 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)cc1C ZINC001445272837 1066551146 /nfs/dbraw/zinc/55/11/46/1066551146.db2.gz NWIWSROFGAHJQR-UHFFFAOYSA-N 0 0 454.514 4.909 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2F)o1 ZINC001361214851 1066551693 /nfs/dbraw/zinc/55/16/93/1066551693.db2.gz YSBZEPCJQUBUHM-OALUTQOASA-N 0 0 483.588 4.584 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC001445275483 1066551808 /nfs/dbraw/zinc/55/18/08/1066551808.db2.gz RWUDPZFQRHAAQN-UHFFFAOYSA-N 0 0 450.486 4.810 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2sccc2C)CCO1 ZINC001546081171 1066552432 /nfs/dbraw/zinc/55/24/32/1066552432.db2.gz JWZSOXDCPURXDW-VWLOTQADSA-N 0 0 467.639 4.765 20 0 JJADRN Cc1cc(Br)cc2c1N(C(=O)Cc1csc(NC(=O)C(C)(C)C)n1)CCC2 ZINC001361216154 1066552526 /nfs/dbraw/zinc/55/25/26/1066552526.db2.gz XTSQXHLSJRLFEE-UHFFFAOYSA-N 0 0 450.402 4.721 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)cc21 ZINC001445283365 1066552869 /nfs/dbraw/zinc/55/28/69/1066552869.db2.gz GSGJXDBUQHAHKS-QGZVFWFLSA-N 0 0 459.340 4.934 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCCC3)n2CCSCCCO)cc1Br ZINC001361217329 1066553047 /nfs/dbraw/zinc/55/30/47/1066553047.db2.gz BVKFCXLFILUVLH-UHFFFAOYSA-N 0 0 467.477 4.902 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361217447 1066553071 /nfs/dbraw/zinc/55/30/71/1066553071.db2.gz KCYDGXNBGOZFDU-LJQANCHMSA-N 0 0 488.474 4.757 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)/C(=C\c3ccc(O)c(OC)c3)c3ccccc3)on2)c1 ZINC001456276994 1066553292 /nfs/dbraw/zinc/55/32/92/1066553292.db2.gz PLJLCOSLZFYNAE-QRVIBDJDSA-N 0 0 456.498 4.921 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)c2csc(S(N)(=O)=O)c2)[C@H]1C ZINC001445284075 1066553456 /nfs/dbraw/zinc/55/34/56/1066553456.db2.gz GQGFWXMUWGHWMY-VBHSOAQHSA-N 0 0 459.008 4.655 20 0 JJADRN Cc1c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cnn1-c1ccc(F)cc1 ZINC001361218142 1066554031 /nfs/dbraw/zinc/55/40/31/1066554031.db2.gz MUUBHGLMGZHVBT-UHFFFAOYSA-N 0 0 450.695 4.775 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001456277038 1066553827 /nfs/dbraw/zinc/55/38/27/1066553827.db2.gz KCJMJAUOMPMDAG-RMKNXTFCSA-N 0 0 452.337 4.909 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC001456277681 1066553953 /nfs/dbraw/zinc/55/39/53/1066553953.db2.gz FGEYNMAIMAJXSA-ZCNNSNEGSA-N 0 0 452.542 4.981 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CCCc3c(C)cccc32)c1 ZINC001456278071 1066554018 /nfs/dbraw/zinc/55/40/18/1066554018.db2.gz AJKLPUITOZVGEU-UHFFFAOYSA-N 0 0 451.544 4.754 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)Oc1ccccc1C(F)(F)F ZINC001445289441 1066554332 /nfs/dbraw/zinc/55/43/32/1066554332.db2.gz XBQGENUDGPIIEM-CQSZACIVSA-N 0 0 456.461 4.911 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3cccnc3)C(C)C)cc2)cc1C ZINC001445291423 1066554441 /nfs/dbraw/zinc/55/44/41/1066554441.db2.gz RQEXZMYAUQNBOJ-XMMPIXPASA-N 0 0 451.592 4.669 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1ccc(Br)cc1F)C1CCCCC1 ZINC001456280033 1066554447 /nfs/dbraw/zinc/55/44/47/1066554447.db2.gz POGULCLMQCQPSF-GOSISDBHSA-N 0 0 457.384 4.721 20 0 JJADRN CO[C@@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1C(F)(F)F ZINC001456281090 1066554828 /nfs/dbraw/zinc/55/48/28/1066554828.db2.gz SADXVFJMZSYPMB-RBUKOAKNSA-N 0 0 458.521 4.983 20 0 JJADRN CO[C@@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1C(F)(F)F ZINC001456281098 1066554889 /nfs/dbraw/zinc/55/48/89/1066554889.db2.gz SADXVFJMZSYPMB-RTBURBONSA-N 0 0 458.521 4.983 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCc2ccn(C)n2)cc1Br ZINC001361218414 1066555006 /nfs/dbraw/zinc/55/50/06/1066555006.db2.gz NIRVWFQCHFLOPQ-HXUWFJFHSA-N 0 0 457.420 4.617 20 0 JJADRN CC[C@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)Oc1ccccc1C(F)(F)F ZINC001445292550 1066555087 /nfs/dbraw/zinc/55/50/87/1066555087.db2.gz VAEFBEHIPIYECY-OAHLLOKOSA-N 0 0 450.486 4.703 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)NCCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC001456285145 1066555137 /nfs/dbraw/zinc/55/51/37/1066555137.db2.gz RRNHUEPSRPAGHR-UHFFFAOYSA-N 0 0 459.428 4.745 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCc1ccc(C2CC2)cc1 ZINC001456284400 1066555192 /nfs/dbraw/zinc/55/51/92/1066555192.db2.gz QLJLSFAFJKYIGU-UHFFFAOYSA-N 0 0 457.412 4.814 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001456283957 1066555344 /nfs/dbraw/zinc/55/53/44/1066555344.db2.gz OXVBPAHGQUWMOC-OAHLLOKOSA-N 0 0 458.427 4.859 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1cc(O)ccc1C(F)(F)F ZINC001456287097 1066555700 /nfs/dbraw/zinc/55/57/00/1066555700.db2.gz BPVZQXTWCKMWDO-UHFFFAOYSA-N 0 0 453.052 4.866 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001456287126 1066555729 /nfs/dbraw/zinc/55/57/29/1066555729.db2.gz WGMKXLZNFCNYRB-FQEVSTJZSA-N 0 0 456.468 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](c4ccccc4)C3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361218875 1066555810 /nfs/dbraw/zinc/55/58/10/1066555810.db2.gz WAOMNOOVNUPESV-IBGZPJMESA-N 0 0 482.478 4.732 20 0 JJADRN Cc1csc([C@](O)(CC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001445321052 1066556519 /nfs/dbraw/zinc/55/65/19/1066556519.db2.gz DEYLKADFCRYMJS-PIGZYNQJSA-N 0 0 454.436 4.920 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC001445319077 1066556620 /nfs/dbraw/zinc/55/66/20/1066556620.db2.gz ANCVOGRUEPCMJA-UHFFFAOYSA-N 0 0 458.521 4.718 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)COc2ccccc2OCc2ccccc2)c1 ZINC001456295803 1066556658 /nfs/dbraw/zinc/55/66/58/1066556658.db2.gz UTQWTOHYLQELRK-UHFFFAOYSA-N 0 0 453.560 4.606 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001456291305 1066556855 /nfs/dbraw/zinc/55/68/55/1066556855.db2.gz YLEQSLYPXVUXLB-SFHVURJKSA-N 0 0 459.974 4.842 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC001445323653 1066557058 /nfs/dbraw/zinc/55/70/58/1066557058.db2.gz LIRPBKLEKFLJDY-JOCHJYFZSA-N 0 0 459.537 4.767 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001445328370 1066557107 /nfs/dbraw/zinc/55/71/07/1066557107.db2.gz FFWURDYTTCIONE-UHFFFAOYSA-N 0 0 456.543 4.958 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Oc1ccccc1Cl ZINC001445327707 1066557149 /nfs/dbraw/zinc/55/71/49/1066557149.db2.gz QQNVZZSKMDXJHC-IBGZPJMESA-N 0 0 458.967 4.728 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)OCc2nc(C)cs2)CCC(=O)N1c1ccc(C)cc1 ZINC001361220497 1066557414 /nfs/dbraw/zinc/55/74/14/1066557414.db2.gz SHZBXMXEJSYKOB-HYBUGGRVSA-N 0 0 450.560 4.996 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)OCc2nc(C)cs2)CCC(=O)N1c1ccc(C)cc1 ZINC001361220498 1066557488 /nfs/dbraw/zinc/55/74/88/1066557488.db2.gz SHZBXMXEJSYKOB-RDPSFJRHSA-N 0 0 450.560 4.996 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001445331129 1066557806 /nfs/dbraw/zinc/55/78/06/1066557806.db2.gz RCIZYSSMSABRSQ-IAGOWNOFSA-N 0 0 450.542 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2[C@H]2C[C@H]2C)cc1Br ZINC001361220754 1066557948 /nfs/dbraw/zinc/55/79/48/1066557948.db2.gz CMQKJMWJPILDEC-CPUCHLNUSA-N 0 0 472.353 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2[C@@H]2C[C@@H]2C)cc1Br ZINC001361220755 1066558060 /nfs/dbraw/zinc/55/80/60/1066558060.db2.gz CMQKJMWJPILDEC-JJRVBVJISA-N 0 0 472.353 4.670 20 0 JJADRN C[C@H](CNC(=O)CCOc1cccc(Br)c1)Oc1ccccc1Br ZINC001445335564 1066558230 /nfs/dbraw/zinc/55/82/30/1066558230.db2.gz GTXNRTXKNVGXFU-CYBMUJFWSA-N 0 0 457.162 4.564 20 0 JJADRN Cc1c(C(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cccc1-c1ccccn1 ZINC001445333163 1066558296 /nfs/dbraw/zinc/55/82/96/1066558296.db2.gz VTMCHCGKJXQBSK-UHFFFAOYSA-N 0 0 453.583 4.593 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001456301275 1066558384 /nfs/dbraw/zinc/55/83/84/1066558384.db2.gz SQVDCWWYNRFCBX-NRFANRHFSA-N 0 0 459.384 4.689 20 0 JJADRN C[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ccccc1Br ZINC001445337188 1066558884 /nfs/dbraw/zinc/55/88/84/1066558884.db2.gz KZQVSGMSPMHUDK-WMLDXEAASA-N 0 0 457.409 4.662 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)c1 ZINC001456303418 1066558866 /nfs/dbraw/zinc/55/88/66/1066558866.db2.gz LHRGDMOSGRBKQB-OAQYLSRUSA-N 0 0 456.970 4.715 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC2(C)CC2)cc1Br ZINC001361220867 1066559137 /nfs/dbraw/zinc/55/91/37/1066559137.db2.gz HJLJXBLFCFGHGS-UHFFFAOYSA-N 0 0 490.446 4.731 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC001445338269 1066559311 /nfs/dbraw/zinc/55/93/11/1066559311.db2.gz MMNQXKUPPFYFRR-CQSZACIVSA-N 0 0 457.361 4.526 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973953 1066559440 /nfs/dbraw/zinc/55/94/40/1066559440.db2.gz LWOHIEMNBHAQAH-HKBOAZHASA-N 0 0 450.595 4.816 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973952 1066559637 /nfs/dbraw/zinc/55/96/37/1066559637.db2.gz LWOHIEMNBHAQAH-HBMCJLEFSA-N 0 0 450.595 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCSCC(C)C)o1 ZINC001361221074 1066559631 /nfs/dbraw/zinc/55/96/31/1066559631.db2.gz MRXSEHLDJVGOEK-UHFFFAOYSA-N 0 0 463.648 4.683 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCOc2ccc(Cl)cc2)o1 ZINC001361221290 1066560011 /nfs/dbraw/zinc/56/00/11/1066560011.db2.gz UERUVUUXLSNWKW-MRXNPFEDSA-N 0 0 483.922 4.652 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2Cc2nc(C(C)(C)C)cs2)o1 ZINC001361221223 1066560064 /nfs/dbraw/zinc/56/00/64/1066560064.db2.gz RDLUUIWSPNGDTE-UHFFFAOYSA-N 0 0 486.642 4.563 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCc2ccccc2C)o1 ZINC001361221348 1066560131 /nfs/dbraw/zinc/56/01/31/1066560131.db2.gz WJPUVUBYTBOTFZ-IBGZPJMESA-N 0 0 465.598 4.843 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)Nc1nc2ccccc2n1CCc1ccccn1 ZINC001361222176 1066560550 /nfs/dbraw/zinc/56/05/50/1066560550.db2.gz VFSUMNUJRNWKSM-UHFFFAOYSA-N 0 0 453.315 4.757 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445349149 1066560997 /nfs/dbraw/zinc/56/09/97/1066560997.db2.gz OEYXZCBDSCOABV-KRWDZBQOSA-N 0 0 455.782 4.738 20 0 JJADRN CCc1c(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001445348174 1066561079 /nfs/dbraw/zinc/56/10/79/1066561079.db2.gz MSICHOLAOWRHBT-OAQYLSRUSA-N 0 0 451.876 4.576 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3cccc(CC(C)C)c3)CC2)cc1 ZINC001456314690 1066561207 /nfs/dbraw/zinc/56/12/07/1066561207.db2.gz AYUBAKWEDNHGGA-FCHUYYIVSA-N 0 0 450.623 4.689 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC001456320049 1066561846 /nfs/dbraw/zinc/56/18/46/1066561846.db2.gz MJUUQYPYPRFXNY-QHCPKHFHSA-N 0 0 456.586 4.655 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545974287 1066562115 /nfs/dbraw/zinc/56/21/15/1066562115.db2.gz UDMBLYLNVCHYSK-GMAHTHKFSA-N 0 0 452.526 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361224117 1066562434 /nfs/dbraw/zinc/56/24/34/1066562434.db2.gz JSCLSJYAWHOVRV-BZSNNMDCSA-N 0 0 467.536 4.833 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3N(C)c3ccccc3)CC2)c1 ZINC001456324024 1066562808 /nfs/dbraw/zinc/56/28/08/1066562808.db2.gz UJMOCBVGMDNPJP-JOCHJYFZSA-N 0 0 457.574 4.515 20 0 JJADRN CCC(CC)(C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)c1ccc(Cl)cc1 ZINC001456324030 1066562831 /nfs/dbraw/zinc/56/28/31/1066562831.db2.gz UKHWFVGKKWPDOA-FQEVSTJZSA-N 0 0 457.014 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCc2ccccc2C(F)(F)F)o1 ZINC001361224397 1066562823 /nfs/dbraw/zinc/56/28/23/1066562823.db2.gz SOKQOGCBEGUSMX-SFHVURJKSA-N 0 0 489.542 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2cccc(C(F)(F)F)c2)o1 ZINC001361224360 1066562961 /nfs/dbraw/zinc/56/29/61/1066562961.db2.gz RLDWHZCSVUJRKA-UHFFFAOYSA-N 0 0 473.421 4.598 20 0 JJADRN Cc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)nn1C1CCCCC1 ZINC001456328312 1066563136 /nfs/dbraw/zinc/56/31/36/1066563136.db2.gz IJYHADPDJGSLJY-SFHVURJKSA-N 0 0 459.432 4.978 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc1 ZINC001445370522 1066563327 /nfs/dbraw/zinc/56/33/27/1066563327.db2.gz WWJFUEIVRRPYEN-JOCHJYFZSA-N 0 0 455.555 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](C)COCc2ccccc2)o1 ZINC001361224508 1066563479 /nfs/dbraw/zinc/56/34/79/1066563479.db2.gz WJAQSIVXCCKSLY-OALUTQOASA-N 0 0 491.558 4.772 20 0 JJADRN O=C(CCC(=O)c1cccc(F)c1)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001445371579 1066563752 /nfs/dbraw/zinc/56/37/52/1066563752.db2.gz MEENOKRPDUXWOP-UHFFFAOYSA-N 0 0 454.479 4.512 20 0 JJADRN O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001361225382 1066563830 /nfs/dbraw/zinc/56/38/30/1066563830.db2.gz ZDIWZJGMPVTKIH-KRWDZBQOSA-N 0 0 454.311 4.914 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1c(F)cccc1Cl ZINC001445371615 1066563984 /nfs/dbraw/zinc/56/39/84/1066563984.db2.gz BKWFKDXKQLOBKT-ZDUSSCGKSA-N 0 0 450.894 4.910 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001456333158 1066564305 /nfs/dbraw/zinc/56/43/05/1066564305.db2.gz FJLFOCNZNLBBMA-UHFFFAOYSA-N 0 0 456.612 4.909 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)C1)CC(F)(F)F ZINC001445374790 1066564507 /nfs/dbraw/zinc/56/45/07/1066564507.db2.gz XKFGZGFYRKJVDH-LJQANCHMSA-N 0 0 456.512 4.886 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)cc1 ZINC001361226247 1066564882 /nfs/dbraw/zinc/56/48/82/1066564882.db2.gz GGDLBTXBGDVLBB-UHFFFAOYSA-N 0 0 454.617 4.972 20 0 JJADRN NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1 ZINC001445376075 1066564901 /nfs/dbraw/zinc/56/49/01/1066564901.db2.gz XKBUORLAJYANGW-UHFFFAOYSA-N 0 0 451.523 4.796 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)c1 ZINC001361226716 1066565043 /nfs/dbraw/zinc/56/50/43/1066565043.db2.gz VZAGXMYEEMFWAB-UHFFFAOYSA-N 0 0 453.489 4.776 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001456337348 1066564905 /nfs/dbraw/zinc/56/49/05/1066564905.db2.gz XSCALNDOASFXAK-SFHVURJKSA-N 0 0 459.428 4.932 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545974526 1066565068 /nfs/dbraw/zinc/56/50/68/1066565068.db2.gz ALQNKXPYCRNACE-NRFANRHFSA-N 0 0 492.624 4.676 20 0 JJADRN COC(=O)CN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)C1CCOCC1 ZINC001361226752 1066565084 /nfs/dbraw/zinc/56/50/84/1066565084.db2.gz WZDCLUSZSOFJJR-UHFFFAOYSA-N 0 0 453.560 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC(=O)Nc2c(C)cccc2C)o1 ZINC001361226976 1066565367 /nfs/dbraw/zinc/56/53/67/1066565367.db2.gz DGPWSJYLLWLUFL-AREMUKBSSA-N 0 0 465.598 4.743 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001456342427 1066565814 /nfs/dbraw/zinc/56/58/14/1066565814.db2.gz SFQWZTIVWCDBEV-SYYKKAFVSA-N 0 0 468.466 4.742 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001445389899 1066566051 /nfs/dbraw/zinc/56/60/51/1066566051.db2.gz DMVZHFDPEDAAOX-UHFFFAOYSA-N 0 0 455.568 4.615 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456343007 1066566314 /nfs/dbraw/zinc/56/63/14/1066566314.db2.gz XVFOCKFDPWNUEP-YKSBVNFPSA-N 0 0 454.636 4.742 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)C1 ZINC001456343625 1066566358 /nfs/dbraw/zinc/56/63/58/1066566358.db2.gz ZWMCXDUNHQUZPM-RBUKOAKNSA-N 0 0 450.620 4.527 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456342965 1066566454 /nfs/dbraw/zinc/56/64/54/1066566454.db2.gz XVFOCKFDPWNUEP-GBXCKJPGSA-N 0 0 454.636 4.742 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361227823 1066566469 /nfs/dbraw/zinc/56/64/69/1066566469.db2.gz WBTQLSOLEPQBEG-INIZCTEOSA-N 0 0 464.488 4.840 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2 ZINC001445395626 1066566703 /nfs/dbraw/zinc/56/67/03/1066566703.db2.gz YATYWQJRFUJGIB-UHFFFAOYSA-N 0 0 451.567 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361227662 1066566565 /nfs/dbraw/zinc/56/65/65/1066566565.db2.gz SCRXADIVPHABGH-QFUCXCTJSA-N 0 0 487.645 4.743 20 0 JJADRN COc1cccc([C@@H](NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399660 1066567085 /nfs/dbraw/zinc/56/70/85/1066567085.db2.gz YWJMFOHNYAMIOZ-BKMJKUGQSA-N 0 0 459.521 4.994 20 0 JJADRN COc1cccc([C@H](NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399667 1066567119 /nfs/dbraw/zinc/56/71/19/1066567119.db2.gz YWJMFOHNYAMIOZ-GJZUVCINSA-N 0 0 459.521 4.994 20 0 JJADRN CNC(=O)[C@H](C)CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(OC)cc1 ZINC001445401378 1066567209 /nfs/dbraw/zinc/56/72/09/1066567209.db2.gz GPNFGUUYJTTXPR-HWLQVLAGSA-N 0 0 457.574 4.574 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cnn(C(C)(C)C)c1I ZINC001456350750 1066567314 /nfs/dbraw/zinc/56/73/14/1066567314.db2.gz KBPBETWXXLFGAY-YCPHGPKFSA-N 0 0 451.352 4.649 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(I)c1N ZINC001445406905 1066567548 /nfs/dbraw/zinc/56/75/48/1066567548.db2.gz SYDWTVPXXJKUPE-QGZVFWFLSA-N 0 0 452.336 4.789 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCSc3ncccc32)c1)c1cccc(Br)c1 ZINC001456352157 1066567589 /nfs/dbraw/zinc/56/75/89/1066567589.db2.gz OOEBXYUXWZFJKK-UHFFFAOYSA-N 0 0 454.349 4.849 20 0 JJADRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001456351864 1066567647 /nfs/dbraw/zinc/56/76/47/1066567647.db2.gz AOXXENNHDURVCD-NQIIRXRSSA-N 0 0 450.535 4.618 20 0 JJADRN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001456351877 1066567798 /nfs/dbraw/zinc/56/77/98/1066567798.db2.gz AOXXENNHDURVCD-WIYYLYMNSA-N 0 0 450.535 4.618 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4Br)C3)n2C[C@@](C)(O)C(C)C)o1 ZINC001361228909 1066567930 /nfs/dbraw/zinc/56/79/30/1066567930.db2.gz IPECJNRBOLEOSD-NZQKXSOJSA-N 0 0 489.414 4.594 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001445408113 1066568150 /nfs/dbraw/zinc/56/81/50/1066568150.db2.gz HZISSLDALYBPNF-OFAUBZDOSA-N 0 0 451.485 4.794 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@@H]3C)CC2=O)ccc1Br ZINC001456353465 1066568510 /nfs/dbraw/zinc/56/85/10/1066568510.db2.gz SQCWCLHFRRGFAF-FKPGQJDZSA-N 0 0 455.396 4.904 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361229377 1066568515 /nfs/dbraw/zinc/56/85/15/1066568515.db2.gz QYUJJNPOHGXBJX-AUSIDOKSSA-N 0 0 495.624 4.988 20 0 JJADRN O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]1Cc1ccccc1 ZINC001445413462 1066568829 /nfs/dbraw/zinc/56/88/29/1066568829.db2.gz KWJYHCOIWVRLKM-CQSZACIVSA-N 0 0 456.121 4.511 20 0 JJADRN COCCOc1cccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)c1 ZINC001456355242 1066568910 /nfs/dbraw/zinc/56/89/10/1066568910.db2.gz FYRISKHJUWBKOQ-UHFFFAOYSA-N 0 0 451.910 4.992 20 0 JJADRN O=C(CSc1nnnn1C1CCCC1)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001361229477 1066569143 /nfs/dbraw/zinc/56/91/43/1066569143.db2.gz GFPXICLEDXLIKY-UHFFFAOYSA-N 0 0 457.600 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](Cc4ccccc4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361229749 1066569151 /nfs/dbraw/zinc/56/91/51/1066569151.db2.gz VNVCVTONYMXPIB-OAQYLSRUSA-N 0 0 495.624 4.598 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 ZINC001456359017 1066569293 /nfs/dbraw/zinc/56/92/93/1066569293.db2.gz KCDFZSMXKLLUOG-UHFFFAOYSA-N 0 0 457.452 4.915 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)ccc2OC(F)F)C1 ZINC001546081770 1066569394 /nfs/dbraw/zinc/56/93/94/1066569394.db2.gz WJGFFGAWUHPGJH-GERBCZOESA-N 0 0 464.557 4.587 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC001361230516 1066569443 /nfs/dbraw/zinc/56/94/43/1066569443.db2.gz WQVKLSMWXVDDHT-HOTGVXAUSA-N 0 0 456.029 4.588 20 0 JJADRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001445426515 1066569775 /nfs/dbraw/zinc/56/97/75/1066569775.db2.gz QBESPQCSJOYMQV-GFCCVEGCSA-N 0 0 455.782 4.890 20 0 JJADRN CC1(C)CN(C(=O)CCc2nc3ccccc3o2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359868 1066570310 /nfs/dbraw/zinc/57/03/10/1066570310.db2.gz NUOQJEUVYPPGPS-QFIPXVFZSA-N 0 0 454.647 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H]2CCCO2)cc1Br ZINC001361230875 1066570364 /nfs/dbraw/zinc/57/03/64/1066570364.db2.gz DYZHFXUFNFGZDA-ZMSDIMECSA-N 0 0 451.434 4.525 20 0 JJADRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCC(OCC2CCCCC2)CC1 ZINC001456360104 1066570423 /nfs/dbraw/zinc/57/04/23/1066570423.db2.gz MURCBTBYICWZSP-UHFFFAOYSA-N 0 0 454.468 4.627 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)C1 ZINC001361230947 1066570461 /nfs/dbraw/zinc/57/04/61/1066570461.db2.gz HHZOJGUBEIKYQF-INIZCTEOSA-N 0 0 475.460 4.553 20 0 JJADRN O=C(Nc1ccc(I)cn1)c1cc(-c2cccnc2)nc2ccccc21 ZINC001456361977 1066570884 /nfs/dbraw/zinc/57/08/84/1066570884.db2.gz ROAAZWDHTJUJFG-UHFFFAOYSA-N 0 0 452.255 4.549 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001445430565 1066571087 /nfs/dbraw/zinc/57/10/87/1066571087.db2.gz RGPHJJZWBGRQRD-UHFFFAOYSA-N 0 0 459.395 4.616 20 0 JJADRN COCCOc1cccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)c1 ZINC001456362235 1066571161 /nfs/dbraw/zinc/57/11/61/1066571161.db2.gz ILYGTMNQPBDBPB-UHFFFAOYSA-N 0 0 453.445 4.617 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c2)cc1 ZINC001445437492 1066571539 /nfs/dbraw/zinc/57/15/39/1066571539.db2.gz HXNSNXJFTHXJFF-LJQANCHMSA-N 0 0 450.626 4.686 20 0 JJADRN C[C@H](NC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445441066 1066571891 /nfs/dbraw/zinc/57/18/91/1066571891.db2.gz NIIGBMQKKJANBT-QMMMGPOBSA-N 0 0 452.776 4.747 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001445441039 1066572052 /nfs/dbraw/zinc/57/20/52/1066572052.db2.gz MXJZMRSPXMMISN-BBWFWOEESA-N 0 0 457.434 4.805 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361231674 1066572003 /nfs/dbraw/zinc/57/20/03/1066572003.db2.gz SJXTVBCCPNBDTH-YLJYHZDGSA-N 0 0 477.675 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)cc1Br ZINC001361231819 1066572334 /nfs/dbraw/zinc/57/23/34/1066572334.db2.gz GJHXEYWQYUAFIA-JZZBYWGLSA-N 0 0 491.474 4.818 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2cccc3nccn32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001456369503 1066572427 /nfs/dbraw/zinc/57/24/27/1066572427.db2.gz FAUVIORJFGLKNM-UHFFFAOYSA-N 0 0 454.408 4.623 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)cc1Br ZINC001361232445 1066572725 /nfs/dbraw/zinc/57/27/25/1066572725.db2.gz OWEXOWNINNVBDD-HRCADAONSA-N 0 0 476.444 4.890 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nccs2)cc1Br ZINC001361232447 1066572901 /nfs/dbraw/zinc/57/29/01/1066572901.db2.gz OWEXOWNINNVBDD-OAGGEKHMSA-N 0 0 476.444 4.890 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001445457267 1066573129 /nfs/dbraw/zinc/57/31/29/1066573129.db2.gz DWIJRWKZNJXBBB-OAHLLOKOSA-N 0 0 454.851 4.552 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456374106 1066573106 /nfs/dbraw/zinc/57/31/06/1066573106.db2.gz MMEIXKYETVMMEB-UDNGWZGFSA-N 0 0 458.505 4.790 20 0 JJADRN CC(C)c1nc(C(=O)NC(C)(C)CC(=O)OC(C)(C)C)nn1-c1c(Cl)cccc1Cl ZINC001456370391 1066573225 /nfs/dbraw/zinc/57/32/25/1066573225.db2.gz JBJIICPNLRWCLW-UHFFFAOYSA-N 0 0 455.386 4.938 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4[nH]c(CNC(=O)OC(C)(C)C)nc4c3)cc2)nn1 ZINC001456378652 1066573818 /nfs/dbraw/zinc/57/38/18/1066573818.db2.gz XQRHJXDQIQFWOT-UHFFFAOYSA-N 0 0 458.522 4.605 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)ccc2[nH]1 ZINC001456379102 1066573863 /nfs/dbraw/zinc/57/38/63/1066573863.db2.gz ZOADKDFKPSTTKC-IBGZPJMESA-N 0 0 456.930 4.841 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)ccc2[nH]1 ZINC001456379107 1066573918 /nfs/dbraw/zinc/57/39/18/1066573918.db2.gz ZOADKDFKPSTTKC-LJQANCHMSA-N 0 0 456.930 4.841 20 0 JJADRN COCCC1(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCCC1 ZINC001445463934 1066574112 /nfs/dbraw/zinc/57/41/12/1066574112.db2.gz PPXOICGDSOEOTJ-UHFFFAOYSA-N 0 0 455.986 4.982 20 0 JJADRN C[C@@H](C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001456382955 1066574379 /nfs/dbraw/zinc/57/43/79/1066574379.db2.gz HLQIVPLGZWHPKU-SFHVURJKSA-N 0 0 456.558 4.851 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 ZINC001445471972 1066575150 /nfs/dbraw/zinc/57/51/50/1066575150.db2.gz BQHZCKHVXGMTNQ-UHFFFAOYSA-N 0 0 451.530 4.546 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)ccc1OC(F)(F)F ZINC001456385408 1066574993 /nfs/dbraw/zinc/57/49/93/1066574993.db2.gz FAIHIEBDVQSDEU-NRFANRHFSA-N 0 0 456.464 4.898 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(Cl)c(I)c1 ZINC001456387462 1066575007 /nfs/dbraw/zinc/57/50/07/1066575007.db2.gz BIGQUTDPFDWPPV-UHFFFAOYSA-N 0 0 457.695 4.788 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC001456388484 1066575124 /nfs/dbraw/zinc/57/51/24/1066575124.db2.gz MMYVMPSZFCOLCC-JGCGQSQUSA-N 0 0 451.563 4.962 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(CC4CCC4)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361234993 1066575384 /nfs/dbraw/zinc/57/53/84/1066575384.db2.gz RTXGYFXLGRXSNL-INIZCTEOSA-N 0 0 469.590 4.842 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(OC)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545975532 1066575475 /nfs/dbraw/zinc/57/54/75/1066575475.db2.gz UEOGVNMQYDCCDQ-IBGZPJMESA-N 0 0 480.613 4.754 20 0 JJADRN Cc1c(Br)cccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC001456389867 1066575645 /nfs/dbraw/zinc/57/56/45/1066575645.db2.gz MUFUVQWOLMSRTC-QFIPXVFZSA-N 0 0 451.364 4.762 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001361235754 1066575880 /nfs/dbraw/zinc/57/58/80/1066575880.db2.gz YZNOGLFUJHANFB-FFGOWVMKSA-N 0 0 499.603 4.832 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c1 ZINC001445477880 1066576004 /nfs/dbraw/zinc/57/60/04/1066576004.db2.gz LXUKHIQYIVTEKA-UHFFFAOYSA-N 0 0 458.274 4.800 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)OC(C)C ZINC001456391182 1066576066 /nfs/dbraw/zinc/57/60/66/1066576066.db2.gz MHEGMSJCWARRHU-KRWDZBQOSA-N 0 0 453.402 4.598 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)o1 ZINC001361235931 1066576154 /nfs/dbraw/zinc/57/61/54/1066576154.db2.gz AQHCSDHXEZTQAJ-RTWAWAEBSA-N 0 0 487.645 4.798 20 0 JJADRN O=C(c1cc(F)c(F)cc1Br)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445484497 1066576393 /nfs/dbraw/zinc/57/63/93/1066576393.db2.gz NMYLBKQYBKNMNJ-UHFFFAOYSA-N 0 0 450.201 4.941 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C3CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361236399 1066576759 /nfs/dbraw/zinc/57/67/59/1066576759.db2.gz IIUWHOFTJLCKQB-KRWDZBQOSA-N 0 0 465.545 4.949 20 0 JJADRN CCC1(CC)CN(C(=O)CNC(=O)NCc2ccc(C)cc2)c2ccc(Br)cc21 ZINC001445487767 1066576970 /nfs/dbraw/zinc/57/69/70/1066576970.db2.gz FYRPOJVUBGCJHO-UHFFFAOYSA-N 0 0 458.400 4.661 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC001456394551 1066577030 /nfs/dbraw/zinc/57/70/30/1066577030.db2.gz XCBOTEYVQKFQMU-HKBQPEDESA-N 0 0 451.573 4.818 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccnc2SCc2ccc(F)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456394571 1066577052 /nfs/dbraw/zinc/57/70/52/1066577052.db2.gz GZIUMZVJTPTOAM-CALCHBBNSA-N 0 0 459.587 4.983 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)o1 ZINC001361236770 1066577152 /nfs/dbraw/zinc/57/71/52/1066577152.db2.gz KRLQOIXOPOTBHZ-UXHICEINSA-N 0 0 473.618 4.876 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@H](C)CCc2cccn2C)cc1OC ZINC001456394100 1066577185 /nfs/dbraw/zinc/57/71/85/1066577185.db2.gz WSFZJAKQJUGXNR-LJQANCHMSA-N 0 0 458.562 4.646 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)no1 ZINC001361236933 1066577561 /nfs/dbraw/zinc/57/75/61/1066577561.db2.gz IFQZSLDNWOKBAF-CXAGYDPISA-N 0 0 451.354 4.607 20 0 JJADRN CC[C@@H](CNC(=O)CSc1nnc(-c2cccs2)n1CC)Oc1cccc(Cl)c1 ZINC001445492958 1066577839 /nfs/dbraw/zinc/57/78/39/1066577839.db2.gz JELWGIDRIGGVND-HNNXBMFYSA-N 0 0 451.017 4.746 20 0 JJADRN O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCc1csc(CCc2ccccc2)n1 ZINC001445491611 1066577849 /nfs/dbraw/zinc/57/78/49/1066577849.db2.gz WDHUMFVKTGEOMI-UHFFFAOYSA-N 0 0 451.592 4.974 20 0 JJADRN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 ZINC001445496028 1066577871 /nfs/dbraw/zinc/57/78/71/1066577871.db2.gz CJVRXZAEXUSCBG-UHFFFAOYSA-N 0 0 452.476 4.688 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC001445498279 1066577908 /nfs/dbraw/zinc/57/79/08/1066577908.db2.gz FQHCBSSBZVGGSF-DZGCQCFKSA-N 0 0 458.194 4.751 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361237631 1066578049 /nfs/dbraw/zinc/57/80/49/1066578049.db2.gz QPZFUVRMPVSUMH-KBMIEXCESA-N 0 0 485.654 4.700 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Oc1cccc(Cl)c1 ZINC001445503194 1066578302 /nfs/dbraw/zinc/57/83/02/1066578302.db2.gz YYXOQJDEEKNBKY-LADGPHEKSA-N 0 0 450.966 4.655 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@H](CNC(=O)c4ccccc4)C3)cc21 ZINC001445508952 1066578781 /nfs/dbraw/zinc/57/87/81/1066578781.db2.gz RJSCTZCYKVWAAI-MRXNPFEDSA-N 0 0 454.368 4.521 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)c3nn(-c4ccccc4)cc3Br)CC2)c1 ZINC001445513474 1066579139 /nfs/dbraw/zinc/57/91/39/1066579139.db2.gz JDPVOMZIEHMCLR-UHFFFAOYSA-N 0 0 452.352 4.963 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456404791 1066579404 /nfs/dbraw/zinc/57/94/04/1066579404.db2.gz UMBJZQHGFPHJGT-HUUCEWRRSA-N 0 0 450.004 4.857 20 0 JJADRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456404787 1066579429 /nfs/dbraw/zinc/57/94/29/1066579429.db2.gz UMBJZQHGFPHJGT-GJZGRUSLSA-N 0 0 450.004 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCC(Cc3ccccc3F)CC2)(C(F)(F)F)C1 ZINC001445515411 1066579624 /nfs/dbraw/zinc/57/96/24/1066579624.db2.gz PAVRALGVSNULNB-QFIPXVFZSA-N 0 0 458.496 4.796 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001361238631 1066579637 /nfs/dbraw/zinc/57/96/37/1066579637.db2.gz WVQFKURTMKCPTC-MNAQKMTRSA-N 0 0 471.696 4.831 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccnc(OCC(F)(F)F)c1 ZINC001456408021 1066579684 /nfs/dbraw/zinc/57/96/84/1066579684.db2.gz GAAHXRFMSPOWBD-UHFFFAOYSA-N 0 0 459.247 4.556 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1OC ZINC001445515378 1066579832 /nfs/dbraw/zinc/57/98/32/1066579832.db2.gz OWRBFRHFAPCQIF-APWZRJJASA-N 0 0 454.542 4.532 20 0 JJADRN O=C(c1cccnc1C(F)(F)F)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001456409706 1066580440 /nfs/dbraw/zinc/58/04/40/1066580440.db2.gz HCBYTBUGIRFEKS-UHFFFAOYSA-N 0 0 459.443 4.781 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC001445521578 1066580524 /nfs/dbraw/zinc/58/05/24/1066580524.db2.gz APDXAEPLTHYAJY-FCHUYYIVSA-N 0 0 458.986 4.896 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCCC3)nn2C)cc1 ZINC001445521778 1066580828 /nfs/dbraw/zinc/58/08/28/1066580828.db2.gz ZLYCMDPLMCLPFG-UHFFFAOYSA-N 0 0 452.580 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001445522881 1066580969 /nfs/dbraw/zinc/58/09/69/1066580969.db2.gz ABUHXQSSKDVRMZ-NSHGMRRFSA-N 0 0 450.501 4.824 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001445522869 1066581005 /nfs/dbraw/zinc/58/10/05/1066581005.db2.gz ABUHXQSSKDVRMZ-NLWGTHIKSA-N 0 0 450.501 4.824 20 0 JJADRN CCc1c(Br)cc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)cc1Br ZINC001456415740 1066581369 /nfs/dbraw/zinc/58/13/69/1066581369.db2.gz WMGDRCNAVZHBBN-MRXNPFEDSA-N 0 0 457.162 4.889 20 0 JJADRN COCCn1cc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c2ccccc21 ZINC001445524571 1066581949 /nfs/dbraw/zinc/58/19/49/1066581949.db2.gz FJPJQFYOZHDSQR-GOSISDBHSA-N 0 0 451.567 4.803 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)cc1 ZINC001456423639 1066581947 /nfs/dbraw/zinc/58/19/47/1066581947.db2.gz AOXSLYQAWMQMAT-JOCHJYFZSA-N 0 0 454.320 4.870 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cc1C ZINC001456417218 1066582052 /nfs/dbraw/zinc/58/20/52/1066582052.db2.gz GPRONGCUMZXLIF-UHFFFAOYSA-N 0 0 453.011 4.856 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC(C)C)C(C)C)cc1 ZINC001361240112 1066582116 /nfs/dbraw/zinc/58/21/16/1066582116.db2.gz NHMSTMNGDKHUEO-FIXSFTCYSA-N 0 0 453.631 4.576 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c2ccccc12 ZINC001456423651 1066582150 /nfs/dbraw/zinc/58/21/50/1066582150.db2.gz BMCDQYQFLPRMGC-JGCGQSQUSA-N 0 0 452.576 4.648 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C)cc1 ZINC001361240345 1066582269 /nfs/dbraw/zinc/58/22/69/1066582269.db2.gz QLRVMFCRFGECIK-UHFFFAOYSA-N 0 0 496.457 4.584 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001456426021 1066582491 /nfs/dbraw/zinc/58/24/91/1066582491.db2.gz DCSYJKYIUHXODT-JGCGQSQUSA-N 0 0 458.534 4.715 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001456424617 1066582617 /nfs/dbraw/zinc/58/26/17/1066582617.db2.gz CAZYLBIOHBICCT-UHFFFAOYSA-N 0 0 450.495 4.555 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCN(CCOC(C)C)CC2)cc1 ZINC001361240940 1066582643 /nfs/dbraw/zinc/58/26/43/1066582643.db2.gz ZCSJWZZWWCPNKW-XNMGPUDCSA-N 0 0 497.728 4.890 20 0 JJADRN Cc1ccc(CCn2c(C(C)C)nnc2N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC001361240919 1066582717 /nfs/dbraw/zinc/58/27/17/1066582717.db2.gz YKQNIXDVKOSVEX-JOCHJYFZSA-N 0 0 453.656 4.524 20 0 JJADRN Cc1ccc(CCn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CCC(C)C)c(C)c1 ZINC001361241556 1066583183 /nfs/dbraw/zinc/58/31/83/1066583183.db2.gz IORFJHJDXHRWBO-UHFFFAOYSA-N 0 0 468.671 4.580 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@@H](C)C2)cc1 ZINC001361241317 1066583207 /nfs/dbraw/zinc/58/32/07/1066583207.db2.gz APELDNMNNQAONH-INIZCTEOSA-N 0 0 461.429 4.935 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCCc1nc2c(s1)COCC2 ZINC001456432268 1066583402 /nfs/dbraw/zinc/58/34/02/1066583402.db2.gz HFXBPGRREGFVRQ-UHFFFAOYSA-N 0 0 454.404 4.927 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241792 1066583578 /nfs/dbraw/zinc/58/35/78/1066583578.db2.gz PFSQCQKZXBQIGG-OAQYLSRUSA-N 0 0 464.614 4.565 20 0 JJADRN O=C(c1cc(F)c(OCc2ccccc2)c(F)c1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001456432462 1066583839 /nfs/dbraw/zinc/58/38/39/1066583839.db2.gz KBMLUOYVJNTJMZ-UHFFFAOYSA-N 0 0 457.908 4.550 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241983 1066584094 /nfs/dbraw/zinc/58/40/94/1066584094.db2.gz XEYRIIYSVZVYTI-JOCHJYFZSA-N 0 0 476.625 4.632 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC001361243220 1066584568 /nfs/dbraw/zinc/58/45/68/1066584568.db2.gz KGZPEJFMUQTWLN-HSZRJFAPSA-N 0 0 481.710 4.989 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCc3ccc(C)cc3C)CC2)c(C)o1 ZINC001361242965 1066584695 /nfs/dbraw/zinc/58/46/95/1066584695.db2.gz GMNASQAOSWMMSD-UHFFFAOYSA-N 0 0 463.626 4.508 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC001456434940 1066584839 /nfs/dbraw/zinc/58/48/39/1066584839.db2.gz ZQMPSYDDNMUWRT-UHFFFAOYSA-N 0 0 457.408 4.883 20 0 JJADRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001445537645 1066584885 /nfs/dbraw/zinc/58/48/85/1066584885.db2.gz NOTNTJFEPOJYMO-FQEVSTJZSA-N 0 0 456.539 4.552 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001456435574 1066585003 /nfs/dbraw/zinc/58/50/03/1066585003.db2.gz XFMWDJUXZIXKJY-VZUCSPMQSA-N 0 0 455.392 4.876 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC001456434481 1066585018 /nfs/dbraw/zinc/58/50/18/1066585018.db2.gz NIAYVNDIPWQRTE-GFCCVEGCSA-N 0 0 450.791 4.849 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001361243372 1066585122 /nfs/dbraw/zinc/58/51/22/1066585122.db2.gz XRRZFYKYNNRKTF-UHFFFAOYSA-N 0 0 457.527 4.522 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)cc1 ZINC001361243449 1066585164 /nfs/dbraw/zinc/58/51/64/1066585164.db2.gz NHAYENZXCULXAW-UNMCSNQZSA-N 0 0 485.698 4.885 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC001445540046 1066585315 /nfs/dbraw/zinc/58/53/15/1066585315.db2.gz LJBQMALMKJCFJG-YADHBBJMSA-N 0 0 450.604 4.742 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c(Cl)c1 ZINC001456436918 1066585985 /nfs/dbraw/zinc/58/59/85/1066585985.db2.gz BCNWKNHSDHXCRV-HKBQPEDESA-N 0 0 455.967 4.994 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)c(C)c1 ZINC001361243925 1066586095 /nfs/dbraw/zinc/58/60/95/1066586095.db2.gz YAPCIRKFNMBERK-XJUOHMSHSA-N 0 0 483.657 4.538 20 0 JJADRN Cc1nc(CNC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)oc1-c1ccc(Cl)cc1 ZINC001445548399 1066586751 /nfs/dbraw/zinc/58/67/51/1066586751.db2.gz SHWPBMAVAQQJFG-UHFFFAOYSA-N 0 0 453.955 4.805 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC001456440206 1066586904 /nfs/dbraw/zinc/58/69/04/1066586904.db2.gz CKDVIUNXQCEZOR-UHFFFAOYSA-N 0 0 456.542 4.881 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1 ZINC001456439759 1066586933 /nfs/dbraw/zinc/58/69/33/1066586933.db2.gz DUTGWVXUTCDVMI-UHFFFAOYSA-N 0 0 458.312 4.991 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@@H](O)c1cc2ccccc2s1)Cc1ccccc1 ZINC001445550787 1066586957 /nfs/dbraw/zinc/58/69/57/1066586957.db2.gz ZGNSZNILNZOFFE-VQTJNVASSA-N 0 0 454.592 4.577 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)Nc3ccc(Cl)c(Br)c3)cn12 ZINC001445559498 1066587381 /nfs/dbraw/zinc/58/73/81/1066587381.db2.gz BEZPSANXCMPJIC-UHFFFAOYSA-N 0 0 457.509 4.578 20 0 JJADRN Cc1cc(-n2c(C)cc(C(=O)Nc3nccn3Cc3ccc(Br)cc3)c2C)no1 ZINC001445559908 1066587399 /nfs/dbraw/zinc/58/73/99/1066587399.db2.gz HGQLCFQFVLMYRS-UHFFFAOYSA-N 0 0 454.328 4.650 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cccc(NC(=O)[C@@H]4C[C@H]4C)c3)CCCCC2)cc1OC ZINC001456440508 1066587414 /nfs/dbraw/zinc/58/74/14/1066587414.db2.gz DOKXMZQORFSLFV-XMSQKQJNSA-N 0 0 450.579 4.930 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001456443500 1066587926 /nfs/dbraw/zinc/58/79/26/1066587926.db2.gz LUBRMMZRQAXBKN-UHFFFAOYSA-N 0 0 458.316 4.604 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361246123 1066588347 /nfs/dbraw/zinc/58/83/47/1066588347.db2.gz LOELDJBSGGZGCK-JGVYIQDASA-N 0 0 450.523 4.828 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)s1 ZINC001361246757 1066588987 /nfs/dbraw/zinc/58/89/87/1066588987.db2.gz BNRONCXOGXCJQG-UHFFFAOYSA-N 0 0 464.538 4.960 20 0 JJADRN C[C@H](C[C@H](O)c1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001445575871 1066589433 /nfs/dbraw/zinc/58/94/33/1066589433.db2.gz MVEFPXOBXOJLCQ-XLIONFOSSA-N 0 0 454.596 4.764 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2C)s1 ZINC001361247145 1066589480 /nfs/dbraw/zinc/58/94/80/1066589480.db2.gz RCHURNWQKKIGEE-AZUAARDMSA-N 0 0 467.639 4.826 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2Cl)s1 ZINC001361247310 1066589867 /nfs/dbraw/zinc/58/98/67/1066589867.db2.gz YLVBDZPWZFAYEP-UHFFFAOYSA-N 0 0 466.998 4.828 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)s1 ZINC001361247298 1066589896 /nfs/dbraw/zinc/58/98/96/1066589896.db2.gz YFVSPTLFTAUFBP-UHFFFAOYSA-N 0 0 467.639 4.604 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cs1)C(N)=O ZINC001456450080 1066589932 /nfs/dbraw/zinc/58/99/32/1066589932.db2.gz RGROHSGURYMMNV-YWZLYKJASA-N 0 0 455.605 4.820 20 0 JJADRN CCN(CC)[C@H](C(=O)Nc1cccc(CS(C)(=O)=O)c1C)c1cccc(C(F)(F)F)c1 ZINC001456450362 1066590075 /nfs/dbraw/zinc/59/00/75/1066590075.db2.gz ZVYHPVVPINFVQT-FQEVSTJZSA-N 0 0 456.530 4.580 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCOC[C@H]3C)cc2)c1C ZINC001545976757 1066589975 /nfs/dbraw/zinc/58/99/75/1066589975.db2.gz WOQOZZUETAKYJO-GOSISDBHSA-N 0 0 458.624 4.653 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCOC[C@@H]3C)cc2)c1C ZINC001545976758 1066590048 /nfs/dbraw/zinc/59/00/48/1066590048.db2.gz WOQOZZUETAKYJO-SFHVURJKSA-N 0 0 458.624 4.653 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)cc21 ZINC001545976761 1066590147 /nfs/dbraw/zinc/59/01/47/1066590147.db2.gz WRSYSROGOXIFHL-OAHLLOKOSA-N 0 0 459.315 4.956 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccc3ccsc32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247734 1066590372 /nfs/dbraw/zinc/59/03/72/1066590372.db2.gz MCIDODGEMQPHIY-JOCHJYFZSA-N 0 0 451.569 4.833 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)s1 ZINC001361247802 1066590497 /nfs/dbraw/zinc/59/04/97/1066590497.db2.gz BGAXWZLFUKQKOV-IEBWSBKVSA-N 0 0 490.073 4.799 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)s1 ZINC001445582868 1066590510 /nfs/dbraw/zinc/59/05/10/1066590510.db2.gz KGCJNDATTIFWHL-GUYCJALGSA-N 0 0 455.671 4.773 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc3sccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247903 1066590844 /nfs/dbraw/zinc/59/08/44/1066590844.db2.gz NZJOGCBLEQIIPL-QHCPKHFHSA-N 0 0 451.569 4.833 20 0 JJADRN CCOc1cc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1OC ZINC001456451772 1066590889 /nfs/dbraw/zinc/59/08/89/1066590889.db2.gz YDGVGONCFGGECF-UHFFFAOYSA-N 0 0 459.521 4.945 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 ZINC001445585312 1066591015 /nfs/dbraw/zinc/59/10/15/1066591015.db2.gz MIEGKXLGLQYSSB-HXUWFJFHSA-N 0 0 450.543 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001361248125 1066591188 /nfs/dbraw/zinc/59/11/88/1066591188.db2.gz QULSJJMGIHJJJF-OAHLLOKOSA-N 0 0 451.365 4.690 20 0 JJADRN O=C(NCc1ccc(NC(=O)C2SCCCS2)cc1)c1ccc(Br)cc1 ZINC001456453739 1066591424 /nfs/dbraw/zinc/59/14/24/1066591424.db2.gz YNZJFVIMWFXTBV-UHFFFAOYSA-N 0 0 451.411 4.514 20 0 JJADRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccco1 ZINC001445586073 1066591640 /nfs/dbraw/zinc/59/16/40/1066591640.db2.gz KWFQAUZPRPFLOK-SFHVURJKSA-N 0 0 455.532 4.504 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1F ZINC001361248250 1066591709 /nfs/dbraw/zinc/59/17/09/1066591709.db2.gz SMFOQGLYVVBOJI-SJLPKXTDSA-N 0 0 455.530 4.711 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC001456459504 1066591859 /nfs/dbraw/zinc/59/18/59/1066591859.db2.gz BUWKCDKJNMJNRM-XRHLQHRESA-N 0 0 452.414 4.552 20 0 JJADRN C[C@@H](Sc1nc(CC(=O)Nc2cccc(CSCc3ccccc3)c2)cs1)C(N)=O ZINC001456459695 1066591934 /nfs/dbraw/zinc/59/19/34/1066591934.db2.gz CZTPOOTZAIDILP-OAHLLOKOSA-N 0 0 457.646 4.724 20 0 JJADRN CCOC[C@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001456460865 1066591950 /nfs/dbraw/zinc/59/19/50/1066591950.db2.gz IBTSNKHAIHVLPC-KRWDZBQOSA-N 0 0 459.384 4.899 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1F ZINC001361248252 1066591920 /nfs/dbraw/zinc/59/19/20/1066591920.db2.gz SMFOQGLYVVBOJI-WMZOPIPTSA-N 0 0 455.530 4.711 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccsc2C(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361248400 1066591932 /nfs/dbraw/zinc/59/19/32/1066591932.db2.gz UTHVTVAHAYYGBG-SFHVURJKSA-N 0 0 451.516 4.617 20 0 JJADRN Cc1ccc(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(OC(C)C)c1 ZINC001445588271 1066592078 /nfs/dbraw/zinc/59/20/78/1066592078.db2.gz ABCYRNKFWFQSJY-UHFFFAOYSA-N 0 0 458.558 4.937 20 0 JJADRN COc1cc(NC2CCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc(OC)c1 ZINC001445587499 1066592252 /nfs/dbraw/zinc/59/22/52/1066592252.db2.gz UPYCSBCQEVCHMH-UHFFFAOYSA-N 0 0 458.986 4.509 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC001456461921 1066592199 /nfs/dbraw/zinc/59/21/99/1066592199.db2.gz LHBOTNVNWGYECD-UHFFFAOYSA-N 0 0 457.702 4.872 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc3cc(F)ccc3o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361248600 1066592359 /nfs/dbraw/zinc/59/23/59/1066592359.db2.gz XRFBSMGAGHYTCZ-QHCPKHFHSA-N 0 0 453.491 4.503 20 0 JJADRN CCOC[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001456464068 1066592335 /nfs/dbraw/zinc/59/23/35/1066592335.db2.gz PZMZCLOHFFGNIY-MRXNPFEDSA-N 0 0 454.368 4.948 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@]2(O)CCO[C@H]2C)o1 ZINC001361248979 1066592839 /nfs/dbraw/zinc/59/28/39/1066592839.db2.gz XCBPNKJOBBJFPI-MHPIHPPYSA-N 0 0 489.016 4.766 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1 ZINC001456470999 1066593137 /nfs/dbraw/zinc/59/31/37/1066593137.db2.gz UBHYWDSQDJZSAO-IECBHUPTSA-N 0 0 450.608 4.860 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(F)(F)F ZINC001361249357 1066593318 /nfs/dbraw/zinc/59/33/18/1066593318.db2.gz LNWZQOKQSMSNQU-CTNGQTDRSA-N 0 0 457.452 4.525 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCC1 ZINC001456468100 1066593276 /nfs/dbraw/zinc/59/32/76/1066593276.db2.gz WWVXNIDKBJRNDM-OAQYLSRUSA-N 0 0 456.562 4.906 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCC2 ZINC001445593456 1066593349 /nfs/dbraw/zinc/59/33/49/1066593349.db2.gz KWXJGMMWDVBOBT-BXXSPATCSA-N 0 0 456.627 4.518 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001456473192 1066593534 /nfs/dbraw/zinc/59/35/34/1066593534.db2.gz GGLFXKKCIJJRKU-JOCHJYFZSA-N 0 0 456.030 4.740 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCc2ccccn2)o1 ZINC001361249684 1066593589 /nfs/dbraw/zinc/59/35/89/1066593589.db2.gz AZQDXERGNKEXTJ-UHFFFAOYSA-N 0 0 452.356 4.883 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CC(OC(C)(C)C)C2)o1 ZINC001361249676 1066593633 /nfs/dbraw/zinc/59/36/33/1066593633.db2.gz ARRNEHFTRBXADN-UXNJHFGPSA-N 0 0 474.646 4.840 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2ccn(C)n2)s1 ZINC001361249729 1066593697 /nfs/dbraw/zinc/59/36/97/1066593697.db2.gz CSTKXNXVILNKOC-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN CCc1nc2c(nccc2C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)[nH]1 ZINC001445598679 1066593659 /nfs/dbraw/zinc/59/36/59/1066593659.db2.gz GAYBALOKNXZGJD-NSHDSACASA-N 0 0 456.369 4.897 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](C)C2)s1 ZINC001361249812 1066594110 /nfs/dbraw/zinc/59/41/10/1066594110.db2.gz GNWKTTFLBSFSIJ-SJLPKXTDSA-N 0 0 458.653 4.791 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](C)C2)s1 ZINC001361249811 1066594202 /nfs/dbraw/zinc/59/42/02/1066594202.db2.gz GNWKTTFLBSFSIJ-FUHWJXTLSA-N 0 0 458.653 4.791 20 0 JJADRN O=C(CC1(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)CCCC1)N1CCOCC1 ZINC001445600622 1066594151 /nfs/dbraw/zinc/59/41/51/1066594151.db2.gz YIXWWFIECVYNBV-UHFFFAOYSA-N 0 0 458.961 4.572 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCn2ccnc2C)s1 ZINC001361249861 1066594505 /nfs/dbraw/zinc/59/45/05/1066594505.db2.gz HXKPMQTWQYJWAJ-UHFFFAOYSA-N 0 0 477.457 4.981 20 0 JJADRN C[C@H](CC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)C(=O)c1ccc(Cl)cc1 ZINC001445609081 1066594586 /nfs/dbraw/zinc/59/45/86/1066594586.db2.gz CIWQOCJGLDOHTR-UZLBHIALSA-N 0 0 452.938 4.716 20 0 JJADRN CC(C)c1ccc(N(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC001445607251 1066594630 /nfs/dbraw/zinc/59/46/30/1066594630.db2.gz QETRGIYPTTVOTN-UHFFFAOYSA-N 0 0 452.532 4.616 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)C(C)C)s1 ZINC001361249967 1066595261 /nfs/dbraw/zinc/59/52/61/1066595261.db2.gz MIFKUWNEAOTEEY-UHFFFAOYSA-N 0 0 494.434 4.625 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)c1ccccc1 ZINC001445614836 1066595360 /nfs/dbraw/zinc/59/53/60/1066595360.db2.gz VKXJXGRSSWMYHF-RPBOFIJWSA-N 0 0 457.574 4.696 20 0 JJADRN C[C@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456483579 1066595682 /nfs/dbraw/zinc/59/56/82/1066595682.db2.gz AOKGUAYLFDNVJI-IBGZPJMESA-N 0 0 459.546 4.695 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(F)c2F)s1 ZINC001361250108 1066596316 /nfs/dbraw/zinc/59/63/16/1066596316.db2.gz QYWGQJBDALFFFB-XMMPIXPASA-N 0 0 476.593 4.846 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC(F)F)s1 ZINC001361250127 1066596332 /nfs/dbraw/zinc/59/63/32/1066596332.db2.gz RPUXNKYURFZQSI-UHFFFAOYSA-N 0 0 479.622 4.663 20 0 JJADRN Cc1ccc(N2CC[C@H](NC(=O)C3(c4ccccc4Br)CCCCC3)C2=O)cc1 ZINC001456486317 1066596350 /nfs/dbraw/zinc/59/63/50/1066596350.db2.gz IQQADPGGTDMNHC-NRFANRHFSA-N 0 0 455.396 4.881 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC001445633595 1066596228 /nfs/dbraw/zinc/59/62/28/1066596228.db2.gz RTSDMVULCQSTLA-UHFFFAOYSA-N 0 0 458.266 4.864 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001456488518 1066596967 /nfs/dbraw/zinc/59/69/67/1066596967.db2.gz MXVZZZZXSWJXLG-GOSISDBHSA-N 0 0 454.983 4.883 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001445636222 1066597006 /nfs/dbraw/zinc/59/70/06/1066597006.db2.gz ZMUPKNDLVMZFSS-MUPHDSPYSA-N 0 0 450.560 4.694 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)COc1ccc2ccccc2c1Br ZINC001456489457 1066597330 /nfs/dbraw/zinc/59/73/30/1066597330.db2.gz QUXYUQREEULSGZ-GOSISDBHSA-N 0 0 453.380 4.714 20 0 JJADRN CCCN(C(=O)CCCCCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639074 1066597347 /nfs/dbraw/zinc/59/73/47/1066597347.db2.gz OPHPPVZGVWSANJ-UHFFFAOYSA-N 0 0 455.640 4.710 20 0 JJADRN CCCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639650 1066597438 /nfs/dbraw/zinc/59/74/38/1066597438.db2.gz ZMYAXWGCCNPDCR-UHFFFAOYSA-N 0 0 452.599 4.613 20 0 JJADRN CCCN(C(=O)c1cccc(Cn2nc(C)cc2C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445638740 1066597472 /nfs/dbraw/zinc/59/74/72/1066597472.db2.gz MLXZQLOOKFQDFA-UHFFFAOYSA-N 0 0 454.615 4.800 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001456490076 1066597501 /nfs/dbraw/zinc/59/75/01/1066597501.db2.gz JVECHOUVNSHDNB-UHFFFAOYSA-N 0 0 456.493 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C)n(C)c2=O)o1 ZINC001361250837 1066597748 /nfs/dbraw/zinc/59/77/48/1066597748.db2.gz BURCJYAHIAAELW-UHFFFAOYSA-N 0 0 472.376 4.845 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1O ZINC001445644259 1066597773 /nfs/dbraw/zinc/59/77/73/1066597773.db2.gz GBVDXAGRMXIGRQ-WNCULLNHSA-N 0 0 458.558 4.539 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1O ZINC001445644257 1066598040 /nfs/dbraw/zinc/59/80/40/1066598040.db2.gz GBVDXAGRMXIGRQ-KCWPFWIISA-N 0 0 458.558 4.539 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001456491552 1066598061 /nfs/dbraw/zinc/59/80/61/1066598061.db2.gz UVCCFSNMXAZGLA-UHFFFAOYSA-N 0 0 459.951 4.663 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445651398 1066598377 /nfs/dbraw/zinc/59/83/77/1066598377.db2.gz RHWUHVUNDZGSJU-MRXNPFEDSA-N 0 0 458.967 4.988 20 0 JJADRN O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001445653188 1066598561 /nfs/dbraw/zinc/59/85/61/1066598561.db2.gz UVCVTKQEEHVUFX-QHCPKHFHSA-N 0 0 458.961 4.833 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001456494642 1066599030 /nfs/dbraw/zinc/59/90/30/1066599030.db2.gz PVRUBNCJGYNSDB-NRFANRHFSA-N 0 0 458.521 4.964 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)s1 ZINC001361251535 1066599522 /nfs/dbraw/zinc/59/95/22/1066599522.db2.gz WCKIDLKESYYFJO-UHFFFAOYSA-N 0 0 480.465 4.981 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@H]2CCCO2)o1 ZINC001361251553 1066599543 /nfs/dbraw/zinc/59/95/43/1066599543.db2.gz WPJKODXOEJDOQH-LJQANCHMSA-N 0 0 462.953 4.861 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456495717 1066599557 /nfs/dbraw/zinc/59/95/57/1066599557.db2.gz TUUJHGCZFQHTJS-OAHLLOKOSA-N 0 0 451.548 4.564 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001456496915 1066599756 /nfs/dbraw/zinc/59/97/56/1066599756.db2.gz VNSNLBCYEXRDKF-NRFANRHFSA-N 0 0 455.386 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)CCCC[C@H]12 ZINC001445671637 1066599838 /nfs/dbraw/zinc/59/98/38/1066599838.db2.gz MAELJFGKUIAZMO-NPPFBWRTSA-N 0 0 457.398 4.713 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)s1 ZINC001361252364 1066599840 /nfs/dbraw/zinc/59/98/40/1066599840.db2.gz JXOOTZSMTGGXAP-INIZCTEOSA-N 0 0 458.632 4.783 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCO[C@@H](C)C2)CCO1 ZINC001546082865 1066599884 /nfs/dbraw/zinc/59/98/84/1066599884.db2.gz FAFNFOWOECDLMX-QOAPGFADSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)s1 ZINC001361252354 1066599949 /nfs/dbraw/zinc/59/99/49/1066599949.db2.gz JONAOYHQDKTHLO-HSZRJFAPSA-N 0 0 453.999 4.908 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456497709 1066600414 /nfs/dbraw/zinc/60/04/14/1066600414.db2.gz XNZDCBYFHKUVSZ-AWEZNQCLSA-N 0 0 456.315 4.655 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1C(F)(F)F ZINC001361253013 1066601102 /nfs/dbraw/zinc/60/11/02/1066601102.db2.gz NBGMOGLKQNDYIN-STQMWFEESA-N 0 0 455.274 4.698 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001456498634 1066601074 /nfs/dbraw/zinc/60/10/74/1066601074.db2.gz BTDUOJOYHPADJD-LBPRGKRZSA-N 0 0 456.153 4.668 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H](Oc1ccccc1)c1ccccc1 ZINC001456499762 1066601661 /nfs/dbraw/zinc/60/16/61/1066601661.db2.gz DVXMDSHKZWFFOS-AUSIDOKSSA-N 0 0 451.364 4.964 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Oc1ccccc1F ZINC001545977924 1066601843 /nfs/dbraw/zinc/60/18/43/1066601843.db2.gz UPRGLIGHYUNMCJ-RTBURBONSA-N 0 0 468.577 4.516 20 0 JJADRN Cc1cnn(-c2cc(C(=O)N3CCC[C@H]3c3c(C)nn(CC(C)C)c3Cl)c(N)cc2F)c1 ZINC001445680061 1066601867 /nfs/dbraw/zinc/60/18/67/1066601867.db2.gz QNWCXGMPEFSYOM-IBGZPJMESA-N 0 0 458.969 4.694 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3c[nH]c4ccccc43)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361254515 1066602502 /nfs/dbraw/zinc/60/25/02/1066602502.db2.gz KYMIOLGCZRZOIB-UHFFFAOYSA-N 0 0 464.570 4.831 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(N(C)C)nc3ccccc32)CC1 ZINC001445682092 1066602530 /nfs/dbraw/zinc/60/25/30/1066602530.db2.gz JTKHDCBROWTYMU-UHFFFAOYSA-N 0 0 450.608 4.519 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2occc2C)o1 ZINC001361255218 1066602898 /nfs/dbraw/zinc/60/28/98/1066602898.db2.gz JBVPHIHZUMQYOO-UHFFFAOYSA-N 0 0 469.586 4.880 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H](O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC001445685433 1066602999 /nfs/dbraw/zinc/60/29/99/1066602999.db2.gz YYYOCMBOWCTOKQ-FUHWJXTLSA-N 0 0 457.329 4.548 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001445685154 1066603037 /nfs/dbraw/zinc/60/30/37/1066603037.db2.gz YEBPPNWHJXAMQL-AWEZNQCLSA-N 0 0 454.884 4.768 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361255347 1066602945 /nfs/dbraw/zinc/60/29/45/1066602945.db2.gz VPHWCRCYILKUEZ-SFTDATJTSA-N 0 0 459.541 4.639 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)[C@@H](C)Sc3nc4ccccc4s3)C2)cc(OC)c1 ZINC001445687152 1066603703 /nfs/dbraw/zinc/60/37/03/1066603703.db2.gz JWBSZZSYPIPAPV-CVEARBPZSA-N 0 0 457.621 4.897 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)Cc3c4ccc(C)cc4oc3C(C)=O)C2)cc(OC)c1 ZINC001445688806 1066603857 /nfs/dbraw/zinc/60/38/57/1066603857.db2.gz KGSWVSFYVJECST-GOSISDBHSA-N 0 0 450.535 4.607 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)[C@@H](C)CO1 ZINC001456503481 1066603859 /nfs/dbraw/zinc/60/38/59/1066603859.db2.gz IRSUGBLOEGPZCW-URXFXBBRSA-N 0 0 450.579 4.770 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cs1 ZINC001456504878 1066604204 /nfs/dbraw/zinc/60/42/04/1066604204.db2.gz PIMYMUFNYGYSSZ-AWEZNQCLSA-N 0 0 458.381 4.590 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC001445690116 1066604206 /nfs/dbraw/zinc/60/42/06/1066604206.db2.gz VYELZMJCNCKUBQ-FUHWJXTLSA-N 0 0 458.484 4.832 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2Cc2cc(Br)cs2)s1 ZINC001361256012 1066604431 /nfs/dbraw/zinc/60/44/31/1066604431.db2.gz WBDQSHZWYHTDMC-ZDUSSCGKSA-N 0 0 453.431 4.661 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CCc2ccccc21 ZINC001456506109 1066605068 /nfs/dbraw/zinc/60/50/68/1066605068.db2.gz LFEZVMSDVODRQP-XMMPIXPASA-N 0 0 458.942 4.822 20 0 JJADRN Cc1ccc([C@H](O)CNC(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)o1 ZINC001445694320 1066605022 /nfs/dbraw/zinc/60/50/22/1066605022.db2.gz OXGAOJIPDYXBIO-MRXNPFEDSA-N 0 0 450.354 4.763 20 0 JJADRN COc1ccc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1Br ZINC001445693358 1066605077 /nfs/dbraw/zinc/60/50/77/1066605077.db2.gz XVXAHYPTZAXQQT-OAQYLSRUSA-N 0 0 456.336 4.500 20 0 JJADRN COc1cc(C)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1C ZINC001361257416 1066605696 /nfs/dbraw/zinc/60/56/96/1066605696.db2.gz NQZYBJLOUYSVOS-HSZRJFAPSA-N 0 0 457.979 4.888 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361257698 1066606349 /nfs/dbraw/zinc/60/63/49/1066606349.db2.gz GWVYFNDLACLURU-UHFFFAOYSA-N 0 0 489.567 4.990 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001456511158 1066607027 /nfs/dbraw/zinc/60/70/27/1066607027.db2.gz FVPJJVZWSBUALU-MJGOQNOKSA-N 0 0 453.421 4.890 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC(F)(F)F)c2)C1 ZINC001456511082 1066607104 /nfs/dbraw/zinc/60/71/04/1066607104.db2.gz YCOASMJZBNFVOJ-IYBDPMFKSA-N 0 0 454.514 4.710 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 ZINC001456510832 1066607157 /nfs/dbraw/zinc/60/71/57/1066607157.db2.gz VXAVDYNPZBNWLY-UHFFFAOYSA-N 0 0 458.537 4.779 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445704275 1066607080 /nfs/dbraw/zinc/60/70/80/1066607080.db2.gz BOCSNMXXIQUJQB-INIZCTEOSA-N 0 0 453.892 4.729 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001445703664 1066607115 /nfs/dbraw/zinc/60/71/15/1066607115.db2.gz HCWIJROANWFSRD-INIZCTEOSA-N 0 0 456.753 4.690 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001456512973 1066607551 /nfs/dbraw/zinc/60/75/51/1066607551.db2.gz HXNBDCNBCZEWTP-DKIMLUQUSA-N 0 0 456.505 4.888 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCCCCC2)s1 ZINC001361258453 1066608454 /nfs/dbraw/zinc/60/84/54/1066608454.db2.gz UFYSHIJSEFTYQZ-UHFFFAOYSA-N 0 0 487.620 4.946 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)c2)s1 ZINC001361258594 1066608528 /nfs/dbraw/zinc/60/85/28/1066608528.db2.gz YDKLKFMINXKLRR-UHFFFAOYSA-N 0 0 456.566 4.520 20 0 JJADRN CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cc1 ZINC001445709250 1066608658 /nfs/dbraw/zinc/60/86/58/1066608658.db2.gz MTEZXRWLWQZEFB-KRWDZBQOSA-N 0 0 451.363 4.855 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC3CC3)n2CCC2CCN(CC(F)(F)F)CC2)s1 ZINC001361258969 1066609142 /nfs/dbraw/zinc/60/91/42/1066609142.db2.gz LMWMPJLPHJABRK-UHFFFAOYSA-N 0 0 455.594 4.901 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCCc3ccccc3)n2CCC(=O)NC(C)(C)C)s1 ZINC001361259244 1066609710 /nfs/dbraw/zinc/60/97/10/1066609710.db2.gz WBRKJHJLTHRHCY-UHFFFAOYSA-N 0 0 453.656 4.765 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3cc4ccccc4cc3OC(F)F)CC2)c1 ZINC001445716803 1066609844 /nfs/dbraw/zinc/60/98/44/1066609844.db2.gz ZALYPRUFMQKMTP-UHFFFAOYSA-N 0 0 454.473 4.945 20 0 JJADRN CC[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)c1ccccc1 ZINC001545978185 1066609951 /nfs/dbraw/zinc/60/99/51/1066609951.db2.gz YPRWIVXPPKYCRW-KRWDZBQOSA-N 0 0 476.597 4.523 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC[C@@H](O)c2ccccc2)s1 ZINC001445716091 1066609959 /nfs/dbraw/zinc/60/99/59/1066609959.db2.gz MAFXKBNPLCOJQN-OAQYLSRUSA-N 0 0 459.571 4.955 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2Cc2cccc(Br)n2)o1 ZINC001361260940 1066610328 /nfs/dbraw/zinc/61/03/28/1066610328.db2.gz BDODVTNBRPDIDQ-UHFFFAOYSA-N 0 0 486.345 4.740 20 0 JJADRN Cc1csc([C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)n1 ZINC001361260073 1066610382 /nfs/dbraw/zinc/61/03/82/1066610382.db2.gz SVGWVVOFBIKZBH-CYBMUJFWSA-N 0 0 459.984 4.915 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456518355 1066610415 /nfs/dbraw/zinc/61/04/15/1066610415.db2.gz QHEZWJZLLXGPMF-IBGZPJMESA-N 0 0 456.558 4.678 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(Cl)cc1Cl ZINC001456519243 1066610516 /nfs/dbraw/zinc/61/05/16/1066610516.db2.gz NTNVBSYGGAUCAK-ANFGNCAPSA-N 0 0 471.450 4.745 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456519945 1066611223 /nfs/dbraw/zinc/61/12/23/1066611223.db2.gz UJLUOBCCUFOVOV-UHFFFAOYSA-N 0 0 450.720 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC[C@@H](OCc3ccccn3)C2)c2ccccc21 ZINC001445722648 1066611182 /nfs/dbraw/zinc/61/11/82/1066611182.db2.gz UFPNDUAYUGNLBL-PZJWPPBQSA-N 0 0 451.567 4.518 20 0 JJADRN CC1(C)C[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c2ccccc21 ZINC001445720702 1066611263 /nfs/dbraw/zinc/61/12/63/1066611263.db2.gz LUXCINBHTKORSL-QFIPXVFZSA-N 0 0 456.514 4.918 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001456521379 1066611673 /nfs/dbraw/zinc/61/16/73/1066611673.db2.gz VJBNENIBHQWPEO-OAHLLOKOSA-N 0 0 455.165 4.984 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)s1 ZINC001361261028 1066611661 /nfs/dbraw/zinc/61/16/61/1066611661.db2.gz DXSSQOKPMZMPBJ-HSZRJFAPSA-N 0 0 456.543 4.503 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)s1 ZINC001361261094 1066611728 /nfs/dbraw/zinc/61/17/28/1066611728.db2.gz HDJQMBWFMQBBPA-KBAYOESNSA-N 0 0 454.587 4.627 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccncc2)o1 ZINC001361261202 1066612341 /nfs/dbraw/zinc/61/23/41/1066612341.db2.gz KSBPJRYKHMBHCA-NRFANRHFSA-N 0 0 466.586 4.526 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2)cn1 ZINC001456521806 1066612457 /nfs/dbraw/zinc/61/24/57/1066612457.db2.gz PURGEIWAUFMTPF-GGAORHGYSA-N 0 0 453.583 4.782 20 0 JJADRN O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445729648 1066612512 /nfs/dbraw/zinc/61/25/12/1066612512.db2.gz ZUPBCEFHZDLHQW-YADHBBJMSA-N 0 0 457.357 4.601 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2Cl)c1 ZINC001456523283 1066612496 /nfs/dbraw/zinc/61/24/96/1066612496.db2.gz QRAVVHRYYWIOEX-MZNJEOGPSA-N 0 0 452.913 4.746 20 0 JJADRN O=C(NC[C@@H](O)c1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445729620 1066612569 /nfs/dbraw/zinc/61/25/69/1066612569.db2.gz ZUPBCEFHZDLHQW-FGZHOGPDSA-N 0 0 457.357 4.601 20 0 JJADRN COC(=O)Cc1csc(N(C)C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)n1 ZINC001456524586 1066612867 /nfs/dbraw/zinc/61/28/67/1066612867.db2.gz BQKIFTNMDUYCIT-UHFFFAOYSA-N 0 0 451.523 4.742 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cn2)s1 ZINC001361261303 1066612910 /nfs/dbraw/zinc/61/29/10/1066612910.db2.gz ORTZENIOYMAENH-FQEVSTJZSA-N 0 0 486.617 4.939 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1 ZINC001456526036 1066613709 /nfs/dbraw/zinc/61/37/09/1066613709.db2.gz GGMXUNYRBYSATC-HJWRWDBZSA-N 0 0 455.511 4.687 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001546083082 1066613714 /nfs/dbraw/zinc/61/37/14/1066613714.db2.gz ILTXMAWGAATMCI-ZYKLXPEUSA-N 0 0 460.594 4.504 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(CC(C)(C)C)n2CC(=O)NCc2ccco2)s1 ZINC001361261509 1066613725 /nfs/dbraw/zinc/61/37/25/1066613725.db2.gz DKTPNOJJNCHCNU-UHFFFAOYSA-N 0 0 481.622 4.946 20 0 JJADRN COc1cc(OC)cc([C@H](O)CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC001445740944 1066613723 /nfs/dbraw/zinc/61/37/23/1066613723.db2.gz FEOXVNQIYUNUMH-OAQYLSRUSA-N 0 0 451.485 4.774 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456530665 1066614266 /nfs/dbraw/zinc/61/42/66/1066614266.db2.gz PKLQXSHUBGGXNZ-MOPGFXCFSA-N 0 0 451.405 4.676 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@H](F)C2)s1 ZINC001361261705 1066614244 /nfs/dbraw/zinc/61/42/44/1066614244.db2.gz HVLNEGGSVSWHNC-ROUUACIJSA-N 0 0 459.591 4.724 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)cc1 ZINC001445748193 1066614433 /nfs/dbraw/zinc/61/44/33/1066614433.db2.gz OOPKLFZNYUGBRH-UHFFFAOYSA-N 0 0 452.401 4.625 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@@H](O)c1ccc(F)cc1 ZINC001445751030 1066614663 /nfs/dbraw/zinc/61/46/63/1066614663.db2.gz YPVYSXGCAZIYNE-QVKFZJNVSA-N 0 0 458.559 4.513 20 0 JJADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccsc2)c(OCC(F)(F)F)c1 ZINC001361261756 1066614904 /nfs/dbraw/zinc/61/49/04/1066614904.db2.gz IPCLCNJFAMAEEV-UHFFFAOYSA-N 0 0 493.555 4.510 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NCC2(c3cccc(Br)c3)CC2)n1 ZINC001456532514 1066614899 /nfs/dbraw/zinc/61/48/99/1066614899.db2.gz AIDJCUAOCDYOMI-UHFFFAOYSA-N 0 0 453.178 4.587 20 0 JJADRN COc1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc(OC)c1OC(F)F ZINC001456532562 1066615005 /nfs/dbraw/zinc/61/50/05/1066615005.db2.gz CUYYTJQLXLTLDA-UHFFFAOYSA-N 0 0 456.283 4.529 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cnc4ncc(Br)cc4c3)cn2)cc1 ZINC001456532275 1066615025 /nfs/dbraw/zinc/61/50/25/1066615025.db2.gz ARDFYZVSHMVZRK-UHFFFAOYSA-N 0 0 451.280 4.841 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2CCc2cccc(F)c2)s1 ZINC001361261989 1066615026 /nfs/dbraw/zinc/61/50/26/1066615026.db2.gz NBJQONCVJFKNBZ-UHFFFAOYSA-N 0 0 481.597 4.968 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NCc2ccccc2)s1 ZINC001361261751 1066615031 /nfs/dbraw/zinc/61/50/31/1066615031.db2.gz XAGKTOSBNPPECN-ISKFKSNPSA-N 0 0 495.693 4.910 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3ccccn3)n2CCC(C)(C)O)s1 ZINC001361262040 1066615353 /nfs/dbraw/zinc/61/53/53/1066615353.db2.gz OYGUWNPRWPNYMR-UHFFFAOYSA-N 0 0 451.596 4.595 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)NCC1(c2cccc(Br)c2)CC1 ZINC001456532626 1066615567 /nfs/dbraw/zinc/61/55/67/1066615567.db2.gz DGHOKLUUKQRRGN-UHFFFAOYSA-N 0 0 458.274 4.617 20 0 JJADRN CCc1ccc([C@H](COC)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1 ZINC001456533244 1066615575 /nfs/dbraw/zinc/61/55/75/1066615575.db2.gz FRPAYQSUWBXLDU-KRWDZBQOSA-N 0 0 459.896 4.630 20 0 JJADRN Cn1cc(-c2csc(NC(=O)c3cccc(NC(=O)CCCc4cccs4)c3)n2)cn1 ZINC001456534868 1066616264 /nfs/dbraw/zinc/61/62/64/1066616264.db2.gz ZJDDCRNIRVOMDG-UHFFFAOYSA-N 0 0 451.577 4.819 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001445784180 1066616538 /nfs/dbraw/zinc/61/65/38/1066616538.db2.gz LJRHIRMZEXAIAT-IAGOWNOFSA-N 0 0 459.587 4.958 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)COCC(=O)OC(C)(C)C)cc21 ZINC001456536242 1066616615 /nfs/dbraw/zinc/61/66/15/1066616615.db2.gz QGYZLWIXJNNUKV-UHFFFAOYSA-N 0 0 459.539 4.505 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCc3coc(-c4ccccc4)n3)[nH]c(=O)c2c1C ZINC001456536008 1066616781 /nfs/dbraw/zinc/61/67/81/1066616781.db2.gz LCJZRHFHJIFMQE-CQSZACIVSA-N 0 0 454.577 4.607 20 0 JJADRN Cc1nc(C(=O)NCC2(c3cccc(Br)c3)CC2)nn1-c1ccccc1C(C)C ZINC001456535625 1066616799 /nfs/dbraw/zinc/61/67/99/1066616799.db2.gz PDUZYIFZKCCDGZ-UHFFFAOYSA-N 0 0 453.384 4.923 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc(OCC(F)F)ccn1 ZINC001456535538 1066616810 /nfs/dbraw/zinc/61/68/10/1066616810.db2.gz OAGYRUGPMDCPPL-UHFFFAOYSA-N 0 0 452.436 4.647 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC001361264692 1066617458 /nfs/dbraw/zinc/61/74/58/1066617458.db2.gz RDKGJNZMGKRHQP-KRWDZBQOSA-N 0 0 450.484 4.954 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H]1c1cccc(C)c1 ZINC001456537445 1066617404 /nfs/dbraw/zinc/61/74/04/1066617404.db2.gz WVBWJVXDODWMEI-IRLDBZIGSA-N 0 0 455.396 4.515 20 0 JJADRN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001445789853 1066617511 /nfs/dbraw/zinc/61/75/11/1066617511.db2.gz CJXQZEBUQWBSCG-MRXNPFEDSA-N 0 0 453.336 4.930 20 0 JJADRN O=C(CCCc1ccc(Cl)c(Cl)c1)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001445786371 1066617570 /nfs/dbraw/zinc/61/75/70/1066617570.db2.gz WXEYZDOAKVJQFS-OAHLLOKOSA-N 0 0 450.284 4.891 20 0 JJADRN CC(C)(CNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl)S(C)(=O)=O ZINC001361265314 1066617956 /nfs/dbraw/zinc/61/79/56/1066617956.db2.gz JWEBMFQRWVSEGH-UHFFFAOYSA-N 0 0 451.997 4.932 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2)nn1 ZINC001456537781 1066618009 /nfs/dbraw/zinc/61/80/09/1066618009.db2.gz YKDHVHFRQOKLRO-UHFFFAOYSA-N 0 0 451.533 4.529 20 0 JJADRN CC[C@H]1[C@H](C(=O)NCC2(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001456538581 1066618540 /nfs/dbraw/zinc/61/85/40/1066618540.db2.gz XVXNVIPKRNUMGX-MSOLQXFVSA-N 0 0 451.405 4.633 20 0 JJADRN Cc1cc([C@H](NC(=O)CCn2c3ccccc3n(C)c2=O)c2ccccc2Cl)ccc1F ZINC001361266026 1066618712 /nfs/dbraw/zinc/61/87/12/1066618712.db2.gz WIUZKVDHOCWEIC-DEOSSOPVSA-N 0 0 451.929 4.737 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(CC(F)F)CC2)s1 ZINC001361266789 1066619328 /nfs/dbraw/zinc/61/93/28/1066619328.db2.gz FZBXKKVQFSZXFG-INIZCTEOSA-N 0 0 482.000 4.877 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001456539479 1066619403 /nfs/dbraw/zinc/61/94/03/1066619403.db2.gz BPNXYRILMHBKGS-UHFFFAOYSA-N 0 0 457.361 4.872 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(F)(F)F)c(F)c1 ZINC001361267671 1066620024 /nfs/dbraw/zinc/62/00/24/1066620024.db2.gz AZUOOMARDODYLV-UHFFFAOYSA-N 0 0 460.273 4.540 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CCO1 ZINC001546083188 1066620706 /nfs/dbraw/zinc/62/07/06/1066620706.db2.gz JUDBCBOBMMKHGQ-WAIKUNEKSA-N 0 0 459.591 4.684 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)c(=O)n1C ZINC001361267856 1066620758 /nfs/dbraw/zinc/62/07/58/1066620758.db2.gz PSLMDPRRGVANKI-MJGOQNOKSA-N 0 0 484.044 4.999 20 0 JJADRN Cc1nc(CCn2c(-c3ccccn3)nnc2N(C)CCCOc2ccccc2C)sc1C ZINC001492598300 1066621393 /nfs/dbraw/zinc/62/13/93/1066621393.db2.gz MBFKNSFOCGCBHX-UHFFFAOYSA-N 0 0 462.623 4.870 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001445807319 1066621425 /nfs/dbraw/zinc/62/14/25/1066621425.db2.gz QKYMQCZAWMWGMY-IBGZPJMESA-N 0 0 451.876 4.684 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1 ZINC001445810220 1066621972 /nfs/dbraw/zinc/62/19/72/1066621972.db2.gz HLNPZOCOIMYQSI-INIZCTEOSA-N 0 0 456.930 4.525 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001361268739 1066621879 /nfs/dbraw/zinc/62/18/79/1066621879.db2.gz WOZBQJUDRKHURS-YESZJQIVSA-N 0 0 497.086 4.748 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001445814528 1066622684 /nfs/dbraw/zinc/62/26/84/1066622684.db2.gz FPDOKEIMKPRKMH-OAHLLOKOSA-N 0 0 454.493 4.704 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2sc(C)nc2C)CCO1 ZINC001546083220 1066622638 /nfs/dbraw/zinc/62/26/38/1066622638.db2.gz KSIVMBNXQYQEFX-MZNJEOGPSA-N 0 0 473.618 4.879 20 0 JJADRN NC(=O)c1cn(CC(=O)N(c2cccc(Br)c2)C2CCCCC2)c2ccccc12 ZINC001456549255 1066622689 /nfs/dbraw/zinc/62/26/89/1066622689.db2.gz KHPZXTCMQCMSBD-UHFFFAOYSA-N 0 0 454.368 4.869 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC001456547845 1066622714 /nfs/dbraw/zinc/62/27/14/1066622714.db2.gz RVZJNOKVVSWRFI-CYFREDJKSA-N 0 0 459.428 4.959 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CCCCC2)cn1 ZINC001361269062 1066622929 /nfs/dbraw/zinc/62/29/29/1066622929.db2.gz WDWPQYFMNFRKOJ-UHFFFAOYSA-N 0 0 457.420 4.814 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(Br)cn2)c1C ZINC001456551131 1066622941 /nfs/dbraw/zinc/62/29/41/1066622941.db2.gz ANAAYZLKSWFEBZ-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC001445816263 1066622967 /nfs/dbraw/zinc/62/29/67/1066622967.db2.gz ZREUUOQNERIJGY-CQSZACIVSA-N 0 0 456.180 4.950 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)NC[C@@H](O)c1cccc(F)c1 ZINC001445816251 1066623121 /nfs/dbraw/zinc/62/31/21/1066623121.db2.gz ZQPJHTNQOPHQQM-HXUWFJFHSA-N 0 0 458.320 4.999 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445817198 1066623133 /nfs/dbraw/zinc/62/31/33/1066623133.db2.gz YEZOOUOCQXQAPU-CWTRNNRKSA-N 0 0 454.354 4.516 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445817193 1066623163 /nfs/dbraw/zinc/62/31/63/1066623163.db2.gz YEZOOUOCQXQAPU-BUXKBTBVSA-N 0 0 454.354 4.516 20 0 JJADRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001456550290 1066623116 /nfs/dbraw/zinc/62/31/16/1066623116.db2.gz HGGVHWLIBITPHF-LEWJYISDSA-N 0 0 456.048 4.870 20 0 JJADRN CN(c1ccccc1)C1CCN(C(=O)c2ccc(I)cc2Cl)CC1 ZINC001361270512 1066624198 /nfs/dbraw/zinc/62/41/98/1066624198.db2.gz VBMWAOAGCCXFRQ-UHFFFAOYSA-N 0 0 454.739 4.686 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1 ZINC001361270228 1066624207 /nfs/dbraw/zinc/62/42/07/1066624207.db2.gz IZKYTINUZMGHOB-UHFFFAOYSA-N 0 0 454.514 4.706 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001445833147 1066624253 /nfs/dbraw/zinc/62/42/53/1066624253.db2.gz XSFVKBYMSWQYOM-OAHLLOKOSA-N 0 0 454.493 4.704 20 0 JJADRN Cn1c(C(=O)N2CCN(c3cccs3)CC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001445838741 1066624776 /nfs/dbraw/zinc/62/47/76/1066624776.db2.gz BSWBJXFORJTTPB-IBGZPJMESA-N 0 0 458.628 4.511 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC001445835635 1066624900 /nfs/dbraw/zinc/62/49/00/1066624900.db2.gz SIWVRRBUFJKKDO-IEBWSBKVSA-N 0 0 454.394 4.661 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cccc(OCC(F)F)n2)c1C ZINC001456559292 1066625034 /nfs/dbraw/zinc/62/50/34/1066625034.db2.gz LQENRWYBZPUQHD-UHFFFAOYSA-N 0 0 451.271 4.543 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)C(C)(C)c3ccccc3)cc2)cc1 ZINC001361271014 1066624834 /nfs/dbraw/zinc/62/48/34/1066624834.db2.gz OMZQUFHODHBKJL-HXUWFJFHSA-N 0 0 450.604 4.916 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)CCc1ccc3ccccc3c1)CC2 ZINC001456563761 1066625423 /nfs/dbraw/zinc/62/54/23/1066625423.db2.gz SAELBEHSHLQPIA-QHCPKHFHSA-N 0 0 452.595 4.695 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001445843762 1066625509 /nfs/dbraw/zinc/62/55/09/1066625509.db2.gz LZBSMDADCPTVIT-PEBXRYMYSA-N 0 0 455.958 4.562 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)n1 ZINC001361272036 1066625452 /nfs/dbraw/zinc/62/54/52/1066625452.db2.gz DPZIGOBHKVSNBY-NSHDSACASA-N 0 0 454.285 4.777 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C)nc2)s1 ZINC001361272161 1066626229 /nfs/dbraw/zinc/62/62/29/1066626229.db2.gz DLPUTLUAMXJBHV-UHFFFAOYSA-N 0 0 456.522 4.700 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cn1 ZINC001361272188 1066626300 /nfs/dbraw/zinc/62/63/00/1066626300.db2.gz JZHYUYXOQGLELW-SFHVURJKSA-N 0 0 462.985 4.908 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cn1 ZINC001361272147 1066626337 /nfs/dbraw/zinc/62/63/37/1066626337.db2.gz IOVRAOYVNJTAHR-LJQANCHMSA-N 0 0 485.007 4.620 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c(OC)c1OC ZINC001445851967 1066626515 /nfs/dbraw/zinc/62/65/15/1066626515.db2.gz NZWNHHXMZYZZGD-UHFFFAOYSA-N 0 0 459.502 4.653 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001456564374 1066626450 /nfs/dbraw/zinc/62/64/50/1066626450.db2.gz HMIRLPIBZNSXIG-FZKQIMNGSA-N 0 0 451.017 4.664 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cc(Cl)ccn2)c(=O)n1C ZINC001361272333 1066626740 /nfs/dbraw/zinc/62/67/40/1066626740.db2.gz FJIVXYRLKNEVGH-UHFFFAOYSA-N 0 0 491.039 4.983 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c(=O)n1C ZINC001361272393 1066626821 /nfs/dbraw/zinc/62/68/21/1066626821.db2.gz GKNIAWPHJYKZHD-YOEHRIQHSA-N 0 0 490.471 4.839 20 0 JJADRN CCCC[C@H](CC)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001456565022 1066626916 /nfs/dbraw/zinc/62/69/16/1066626916.db2.gz WVPZPEAJRFCUKW-IBGZPJMESA-N 0 0 455.640 4.519 20 0 JJADRN Cc1ccccc1Oc1cccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c1 ZINC001456564960 1066626925 /nfs/dbraw/zinc/62/69/25/1066626925.db2.gz HHBKMQGEKSSKDX-UHFFFAOYSA-N 0 0 456.477 4.899 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccnc(-c2ccccc2)c1N ZINC001445856695 1066627120 /nfs/dbraw/zinc/62/71/20/1066627120.db2.gz AOMYVZCJPSEGMW-IBGZPJMESA-N 0 0 458.345 4.542 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@H](C(C)C)C2)cn1 ZINC001361272515 1066627647 /nfs/dbraw/zinc/62/76/47/1066627647.db2.gz NWJQCODHDVLRHM-VWLOTQADSA-N 0 0 463.626 4.983 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CCCOC2)cc1 ZINC001361272618 1066627675 /nfs/dbraw/zinc/62/76/75/1066627675.db2.gz JKYCXRPUNZLBET-KRWDZBQOSA-N 0 0 461.429 4.989 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cnn(C)c2)s1 ZINC001361272780 1066627709 /nfs/dbraw/zinc/62/77/09/1066627709.db2.gz KYVUHBVJJFYDOI-UHFFFAOYSA-N 0 0 463.430 4.557 20 0 JJADRN C[C@]1(c2ccccc2)CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CCO1 ZINC001445862051 1066627828 /nfs/dbraw/zinc/62/78/28/1066627828.db2.gz AQGUAKUJYCNVGK-XMMPIXPASA-N 0 0 452.601 4.867 20 0 JJADRN Cc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC001361272977 1066628206 /nfs/dbraw/zinc/62/82/06/1066628206.db2.gz MLLMEBZWOVMICL-OTWHNJEPSA-N 0 0 486.707 4.746 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC001445864816 1066628488 /nfs/dbraw/zinc/62/84/88/1066628488.db2.gz QPQCEJNGOULTAP-HNNXBMFYSA-N 0 0 455.338 4.905 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(O)(C(F)(F)F)CC2)c1 ZINC001445864788 1066628493 /nfs/dbraw/zinc/62/84/93/1066628493.db2.gz PUBDSCMDQXQHAX-UHFFFAOYSA-N 0 0 459.468 4.514 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC001445865913 1066628511 /nfs/dbraw/zinc/62/85/11/1066628511.db2.gz YDPFGBNIBCLBPP-KRWDZBQOSA-N 0 0 453.366 4.860 20 0 JJADRN O=C(CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)c1cncs1 ZINC001456571182 1066628427 /nfs/dbraw/zinc/62/84/27/1066628427.db2.gz AFUBDKNSQXVIKT-UHFFFAOYSA-N 0 0 452.333 4.734 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)sc1C=O ZINC001456569547 1066628534 /nfs/dbraw/zinc/62/85/34/1066628534.db2.gz VVCHMPCKNDJHKT-IBGZPJMESA-N 0 0 453.345 4.711 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H]2C)c(=O)n1C ZINC001361273153 1066629004 /nfs/dbraw/zinc/62/90/04/1066629004.db2.gz WSCZUKFFRUEDNT-CTNGQTDRSA-N 0 0 463.626 4.660 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)cn1 ZINC001361273228 1066629023 /nfs/dbraw/zinc/62/90/23/1066629023.db2.gz PJPFVCWZQUBYTJ-SFHVURJKSA-N 0 0 496.331 4.535 20 0 JJADRN CC(C)(C(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001445870544 1066629152 /nfs/dbraw/zinc/62/91/52/1066629152.db2.gz RRAGSRCNSGWSJZ-OAHLLOKOSA-N 0 0 458.318 4.713 20 0 JJADRN CC(C)(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001445868530 1066629175 /nfs/dbraw/zinc/62/91/75/1066629175.db2.gz PJVJASJNWDPUGG-HNNXBMFYSA-N 0 0 452.165 4.950 20 0 JJADRN CC[C@H](C)CC[C@H](O)CC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 ZINC001456571761 1066629134 /nfs/dbraw/zinc/62/91/34/1066629134.db2.gz ZYERTKFJZHCOBD-LRQRDZAKSA-N 0 0 457.396 4.792 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)COC)CCO1 ZINC001546083510 1066629178 /nfs/dbraw/zinc/62/91/78/1066629178.db2.gz OPWLWSOPUGZRCM-MZNJEOGPSA-N 0 0 455.628 4.665 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)COC)CCO1 ZINC001546083509 1066629199 /nfs/dbraw/zinc/62/91/99/1066629199.db2.gz OPWLWSOPUGZRCM-BXKMTCNYSA-N 0 0 455.628 4.665 20 0 JJADRN CC(C)COc1cc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)ccc1Br ZINC001456574190 1066629685 /nfs/dbraw/zinc/62/96/85/1066629685.db2.gz LGXMMFMUAGZTLR-IAQYHMDHSA-N 0 0 457.319 4.943 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979454 1066629620 /nfs/dbraw/zinc/62/96/20/1066629620.db2.gz AXABLRUCQODPLU-OALUTQOASA-N 0 0 456.635 4.824 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Br ZINC001445875999 1066629655 /nfs/dbraw/zinc/62/96/55/1066629655.db2.gz ZFCMCHMSZRXEIN-LBPRGKRZSA-N 0 0 450.682 4.702 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)Cc2cncc3ccccc32)n1 ZINC001361273754 1066630212 /nfs/dbraw/zinc/63/02/12/1066630212.db2.gz UIOUGDDLKCVWDW-HNNXBMFYSA-N 0 0 450.926 4.944 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCNC(=O)C(C)C)c(C)c1 ZINC001361273480 1066630232 /nfs/dbraw/zinc/63/02/32/1066630232.db2.gz SFWXEZGTCVUWIW-UHFFFAOYSA-N 0 0 490.471 4.643 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(O)c1 ZINC001445882243 1066630442 /nfs/dbraw/zinc/63/04/42/1066630442.db2.gz QLUJFSVMBVMXAB-KRWDZBQOSA-N 0 0 451.331 4.857 20 0 JJADRN Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001361274152 1066630735 /nfs/dbraw/zinc/63/07/35/1066630735.db2.gz FDUORTFKTHNUCY-GASCZTMLSA-N 0 0 452.521 4.894 20 0 JJADRN Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC001361274154 1066630757 /nfs/dbraw/zinc/63/07/57/1066630757.db2.gz FDUORTFKTHNUCY-HUUCEWRRSA-N 0 0 452.521 4.894 20 0 JJADRN CCCC[C@H](COC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC001456580641 1066630773 /nfs/dbraw/zinc/63/07/73/1066630773.db2.gz ARFUAZYXIJTHNR-QQSVUBKYSA-N 0 0 452.595 4.809 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001456581020 1066630863 /nfs/dbraw/zinc/63/08/63/1066630863.db2.gz CTAXVTXHQXFJIQ-GFCCVEGCSA-N 0 0 455.864 4.765 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)c1 ZINC001361274068 1066630900 /nfs/dbraw/zinc/63/09/00/1066630900.db2.gz BZSKUHSVXWGTOI-UHFFFAOYSA-N 0 0 451.228 4.521 20 0 JJADRN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC001445888139 1066631053 /nfs/dbraw/zinc/63/10/53/1066631053.db2.gz HVDILUGMKRGDIX-FQEVSTJZSA-N 0 0 451.592 4.615 20 0 JJADRN CCOC(=O)C1(CNC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)CCC1 ZINC001456580624 1066631011 /nfs/dbraw/zinc/63/10/11/1066631011.db2.gz PWDGFKKEYICPEL-UHFFFAOYSA-N 0 0 451.386 4.653 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361274431 1066631612 /nfs/dbraw/zinc/63/16/12/1066631612.db2.gz DJTPBSHCLQNACL-FQEVSTJZSA-N 0 0 494.615 4.919 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1 ZINC001361274881 1066631665 /nfs/dbraw/zinc/63/16/65/1066631665.db2.gz OPLKHCSYKHWJNK-UHFFFAOYSA-N 0 0 456.901 4.783 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001456581279 1066631735 /nfs/dbraw/zinc/63/17/35/1066631735.db2.gz CULCMOGIMJBGJL-NTPKGFMYSA-N 0 0 450.620 4.527 20 0 JJADRN COc1cc(-c2noc(CCCCCNC(=O)c3ccc(F)c(Cl)c3F)n2)ccc1O ZINC001445889792 1066631768 /nfs/dbraw/zinc/63/17/68/1066631768.db2.gz ZTHMULCBDCPETL-UHFFFAOYSA-N 0 0 451.857 4.525 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2nccs2)c(OCC(F)(F)F)c1 ZINC001361275337 1066632136 /nfs/dbraw/zinc/63/21/36/1066632136.db2.gz PVNFEGHZVLDKLQ-UHFFFAOYSA-N 0 0 474.512 4.731 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2NCc2ccccc2)cc1 ZINC001445904103 1066633129 /nfs/dbraw/zinc/63/31/29/1066633129.db2.gz CLKNVIPMWPKNHJ-UHFFFAOYSA-N 0 0 457.983 4.891 20 0 JJADRN CCCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586035 1066633779 /nfs/dbraw/zinc/63/37/79/1066633779.db2.gz HRHYGGQIKNOEOQ-FADHJWEHSA-N 0 0 451.586 4.976 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC001445910038 1066633810 /nfs/dbraw/zinc/63/38/10/1066633810.db2.gz OBROROJLDPRUPX-UHFFFAOYSA-N 0 0 456.612 4.510 20 0 JJADRN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)o3)cc2)CC1 ZINC001361276399 1066633949 /nfs/dbraw/zinc/63/39/49/1066633949.db2.gz AYYIIPUHQQADEL-UHFFFAOYSA-N 0 0 451.954 4.559 20 0 JJADRN Cc1ccc(SC2(CNC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CCCC2)cc1 ZINC001361276848 1066634129 /nfs/dbraw/zinc/63/41/29/1066634129.db2.gz KONBHCDRRCSXBY-GOSISDBHSA-N 0 0 458.649 4.541 20 0 JJADRN Cc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1OCc1csc(Br)c1 ZINC001456587745 1066634325 /nfs/dbraw/zinc/63/43/25/1066634325.db2.gz CTOYHEZCCSQRLL-AREMUKBSSA-N 0 0 458.443 4.675 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916022 1066635001 /nfs/dbraw/zinc/63/50/01/1066635001.db2.gz AJDMBQVMPZAWRP-UZLBHIALSA-N 0 0 459.892 4.609 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C1CN(C(=O)C2CCCCC2)C1 ZINC001456589642 1066635004 /nfs/dbraw/zinc/63/50/04/1066635004.db2.gz DXSXJTGRIUJPGA-UHFFFAOYSA-N 0 0 452.395 4.624 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545979714 1066635084 /nfs/dbraw/zinc/63/50/84/1066635084.db2.gz HFCHTZWUEJGLGW-JTHBVZDNSA-N 0 0 492.624 4.530 20 0 JJADRN CCOc1cc(Cl)ccc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001445925865 1066635522 /nfs/dbraw/zinc/63/55/22/1066635522.db2.gz GNMVMDVYWUYDJF-UHFFFAOYSA-N 0 0 458.946 4.581 20 0 JJADRN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001456592316 1066635537 /nfs/dbraw/zinc/63/55/37/1066635537.db2.gz KCBBKFIJBSOPLA-UHFFFAOYSA-N 0 0 452.913 4.543 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 ZINC001445926111 1066635625 /nfs/dbraw/zinc/63/56/25/1066635625.db2.gz HHYIYWCZTZRNMK-MHZLTWQESA-N 0 0 458.602 4.985 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC001456591436 1066635635 /nfs/dbraw/zinc/63/56/35/1066635635.db2.gz SZFVUZXTCIIKGU-LOSJGSFVSA-N 0 0 452.501 4.606 20 0 JJADRN COc1cc(CCC(=O)Nc2cc(Br)cc(OC(C)C)c2)cc(OC)c1OC ZINC001361278730 1066636037 /nfs/dbraw/zinc/63/60/37/1066636037.db2.gz FXFSQKGHQOLXTK-UHFFFAOYSA-N 0 0 452.345 4.833 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)Cc2nc3ccccc3s2)cc1 ZINC001445928917 1066636172 /nfs/dbraw/zinc/63/61/72/1066636172.db2.gz JCCWYKJOEKDECB-WIYYLYMNSA-N 0 0 452.624 4.566 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929528 1066636232 /nfs/dbraw/zinc/63/62/32/1066636232.db2.gz YERZBSIHDVSLRV-FUHWJXTLSA-N 0 0 453.501 4.617 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001545979799 1066636281 /nfs/dbraw/zinc/63/62/81/1066636281.db2.gz IPIHEPPPHGHKSV-FDDCHVKYSA-N 0 0 493.530 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@H]2SCCc3ccccc32)(c2ccccc2)C1 ZINC001361279444 1066636748 /nfs/dbraw/zinc/63/67/48/1066636748.db2.gz WNYSEUUKKKEMDG-ATIYNZHBSA-N 0 0 452.620 4.712 20 0 JJADRN CCCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456594494 1066636692 /nfs/dbraw/zinc/63/66/92/1066636692.db2.gz OJZUELIWAIHIIS-AREMUKBSSA-N 0 0 459.521 4.512 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CCc2cc(Br)c(F)cc2C1)N(C)C(=O)OC(C)(C)C ZINC001456595118 1066636728 /nfs/dbraw/zinc/63/67/28/1066636728.db2.gz UFUBNKOYHOSGRB-SFHVURJKSA-N 0 0 457.384 4.755 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)C1 ZINC001456593817 1066636754 /nfs/dbraw/zinc/63/67/54/1066636754.db2.gz NUGLBPFAMHFOCZ-AREMUKBSSA-N 0 0 455.574 4.864 20 0 JJADRN CC[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545979856 1066636833 /nfs/dbraw/zinc/63/68/33/1066636833.db2.gz JKBZZSBFPHJXII-RTBURBONSA-N 0 0 482.629 4.545 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001545979816 1066636882 /nfs/dbraw/zinc/63/68/82/1066636882.db2.gz IUNZVEAOMZDXLY-UNMCSNQZSA-N 0 0 467.589 4.898 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cncc(I)c2)cc1 ZINC001456594449 1066636799 /nfs/dbraw/zinc/63/67/99/1066636799.db2.gz SLICCDIIHMXIJT-UHFFFAOYSA-N 0 0 458.299 4.584 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)COc1ccc2c(c1)CCCC2 ZINC001456596706 1066637449 /nfs/dbraw/zinc/63/74/49/1066637449.db2.gz HPUYPDBCNNUDSU-UHFFFAOYSA-N 0 0 456.586 4.922 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361280444 1066638051 /nfs/dbraw/zinc/63/80/51/1066638051.db2.gz FWSIEUHUCIEYFO-OAQYLSRUSA-N 0 0 453.631 4.986 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC001445942972 1066638135 /nfs/dbraw/zinc/63/81/35/1066638135.db2.gz ZGZLNHOXRRIRCZ-JCRMAMAHSA-N 0 0 451.607 4.812 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cscn2)c(OCC(F)(F)F)c1 ZINC001361280877 1066638140 /nfs/dbraw/zinc/63/81/40/1066638140.db2.gz QTJUFKGPJSURLH-SFHVURJKSA-N 0 0 481.544 4.910 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC001445941234 1066638197 /nfs/dbraw/zinc/63/81/97/1066638197.db2.gz VHILFRQWKVCTKL-RTWAWAEBSA-N 0 0 457.496 4.850 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC2CCOCC2)c(OCC(F)(F)F)c1 ZINC001361281082 1066638786 /nfs/dbraw/zinc/63/87/86/1066638786.db2.gz WKLGQWWUIAVAGV-FQEVSTJZSA-N 0 0 482.547 4.680 20 0 JJADRN COc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)ccc1NC(N)=O ZINC001445943960 1066638977 /nfs/dbraw/zinc/63/89/77/1066638977.db2.gz CIPKHKHCIREESX-UHFFFAOYSA-N 0 0 455.518 4.658 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001456603698 1066639224 /nfs/dbraw/zinc/63/92/24/1066639224.db2.gz JPEJZZIILYFBTI-QGZVFWFLSA-N 0 0 455.725 4.677 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)o1 ZINC001456603075 1066639286 /nfs/dbraw/zinc/63/92/86/1066639286.db2.gz MUDSFYFYVJRSQJ-QGZVFWFLSA-N 0 0 454.386 4.766 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)Cc1cccc(Br)c1 ZINC001456603732 1066639327 /nfs/dbraw/zinc/63/93/27/1066639327.db2.gz NJDXLZTXQXIYEF-MRXNPFEDSA-N 0 0 452.414 4.630 20 0 JJADRN CC(C)C(=O)Nc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001445950528 1066639570 /nfs/dbraw/zinc/63/95/70/1066639570.db2.gz ZPKFNUXDPROTQC-HRAFRWSSSA-N 0 0 454.954 4.934 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)c1 ZINC001361282393 1066640061 /nfs/dbraw/zinc/64/00/61/1066640061.db2.gz SAMKEYSJPSVXGE-QGZVFWFLSA-N 0 0 465.545 4.949 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001456604742 1066640109 /nfs/dbraw/zinc/64/01/09/1066640109.db2.gz KTTPFLRVZBLVRL-FXAWDEMLSA-N 0 0 457.640 4.979 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC001456604460 1066640155 /nfs/dbraw/zinc/64/01/55/1066640155.db2.gz XJPWSSQILIVGDY-QFIPXVFZSA-N 0 0 454.405 4.969 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001545980070 1066640342 /nfs/dbraw/zinc/64/03/42/1066640342.db2.gz NTACAXGQZAHLIQ-QFIPXVFZSA-N 0 0 476.625 4.757 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001445966704 1066640435 /nfs/dbraw/zinc/64/04/35/1066640435.db2.gz FCRRPLLJJNCCKX-UHFFFAOYSA-N 0 0 453.313 4.911 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCSC[C@@H]2C)c(F)c1 ZINC001361283040 1066640874 /nfs/dbraw/zinc/64/08/74/1066640874.db2.gz YXLFBIKTTKJALF-AZUAARDMSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001456604921 1066640889 /nfs/dbraw/zinc/64/08/89/1066640889.db2.gz VCEUBSCDSICYHQ-UHFFFAOYSA-N 0 0 450.379 4.844 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)N4C)cc2)cc1 ZINC001361283741 1066641548 /nfs/dbraw/zinc/64/15/48/1066641548.db2.gz FLIAJRMNCXRZRA-PMACEKPBSA-N 0 0 457.574 4.712 20 0 JJADRN COc1cc(CN(C(=O)c2ccc(Br)cc2Br)C2CC2)ccc1O ZINC001445974751 1066641741 /nfs/dbraw/zinc/64/17/41/1066641741.db2.gz SZGSTVFTKNFNLO-UHFFFAOYSA-N 0 0 455.146 4.731 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445989903 1066642620 /nfs/dbraw/zinc/64/26/20/1066642620.db2.gz IRVWBXLDXMEOSK-SFHVURJKSA-N 0 0 453.421 4.924 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc(Cl)cc4ccccc43)CC2)c(C)c1 ZINC001456610597 1066642785 /nfs/dbraw/zinc/64/27/85/1066642785.db2.gz YLNAIYYHQZLXIV-LJQANCHMSA-N 0 0 450.966 4.862 20 0 JJADRN COc1ccc(C[C@H](NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)c2ccccc2)cc1OC ZINC001361284737 1066642879 /nfs/dbraw/zinc/64/28/79/1066642879.db2.gz YWQSOSAQXVLILE-XQBPLPMBSA-N 0 0 451.485 4.994 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3cncn3)C2)c(OCC(F)(F)F)c1 ZINC001361284438 1066642943 /nfs/dbraw/zinc/64/29/43/1066642943.db2.gz GRLSHMQZDQZTMB-IBGZPJMESA-N 0 0 491.562 4.598 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSCc2ccccc2)C1 ZINC001456611798 1066643005 /nfs/dbraw/zinc/64/30/05/1066643005.db2.gz TXSSKVIXBIKAGT-MOPGFXCFSA-N 0 0 457.617 4.952 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)cc2Br)on1 ZINC001446000236 1066643148 /nfs/dbraw/zinc/64/31/48/1066643148.db2.gz LTEFAOGJZBAVJI-OAHLLOKOSA-N 0 0 459.340 4.733 20 0 JJADRN O=C(NCCCOc1ccc2ccccc2c1)c1cc(Br)cnc1OCC1CC1 ZINC001445998067 1066643173 /nfs/dbraw/zinc/64/31/73/1066643173.db2.gz OAZVCCVITPKNFV-UHFFFAOYSA-N 0 0 455.352 4.985 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 ZINC001456612872 1066643836 /nfs/dbraw/zinc/64/38/36/1066643836.db2.gz ZONDQJRRNOLVQA-INIZCTEOSA-N 0 0 455.521 4.683 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(CCO)Cc2cc(Br)ccc2F)cn1 ZINC001361285062 1066643752 /nfs/dbraw/zinc/64/37/52/1066643752.db2.gz PDUUHHSTFBZPFT-UHFFFAOYSA-N 0 0 490.421 4.519 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001446001507 1066644003 /nfs/dbraw/zinc/64/40/03/1066644003.db2.gz POPODOACNNCPOR-UHFFFAOYSA-N 0 0 457.546 4.635 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)COc3ccc4c(c3)CCCC4)cc2)c1 ZINC001456613908 1066644214 /nfs/dbraw/zinc/64/42/14/1066644214.db2.gz XREJRMVKPUAYRT-UHFFFAOYSA-N 0 0 451.544 4.779 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)Nc2ccc(I)c(Cl)c2)[C@H](C)Nc2ccnn21 ZINC001456615165 1066644315 /nfs/dbraw/zinc/64/43/15/1066644315.db2.gz ANBVUSLKLZOZLU-LOWVWBTDSA-N 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O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001446026097 1066647171 /nfs/dbraw/zinc/64/71/71/1066647171.db2.gz RUYWLMFIGCFROB-VYENPZKTSA-N 0 0 455.356 4.780 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NCCc1csc(-c2ccccc2)n1 ZINC001446021576 1066647268 /nfs/dbraw/zinc/64/72/68/1066647268.db2.gz PWBJXWSFJAFBBL-UHFFFAOYSA-N 0 0 451.773 4.964 20 0 JJADRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c(C(N)=O)c1 ZINC001456621059 1066647701 /nfs/dbraw/zinc/64/77/01/1066647701.db2.gz HKWFBQCPSWTJSR-UHFFFAOYSA-N 0 0 457.939 4.712 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@H]1C(F)(F)F)N1CC(Cc2ccc(Br)cc2)C1 ZINC001456621666 1066647723 /nfs/dbraw/zinc/64/77/23/1066647723.db2.gz ANYXJJSWVYKXHD-LJQANCHMSA-N 0 0 452.270 4.857 20 0 JJADRN O=C(NCCc1csc(-c2ccccc2)n1)c1[nH]nc(-c2ccccc2)c1Br ZINC001446028394 1066647751 /nfs/dbraw/zinc/64/77/51/1066647751.db2.gz VNKAHAMBJVYRAP-UHFFFAOYSA-N 0 0 453.365 4.935 20 0 JJADRN Cc1ccccc1OCCCn1c(C(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001492598623 1066647708 /nfs/dbraw/zinc/64/77/08/1066647708.db2.gz NCOBDLZIPQDVPV-UHFFFAOYSA-N 0 0 453.562 4.761 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001492598645 1066647800 /nfs/dbraw/zinc/64/78/00/1066647800.db2.gz NRMVURGIZCTNTR-QHCPKHFHSA-N 0 0 499.656 4.600 20 0 JJADRN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001446028119 1066647905 /nfs/dbraw/zinc/64/79/05/1066647905.db2.gz UJMIDDRCEMYUSB-UXZSZYKQSA-N 0 0 456.608 4.700 20 0 JJADRN Cc1c(Cl)ccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)s1)CCC2 ZINC001456622373 1066648358 /nfs/dbraw/zinc/64/83/58/1066648358.db2.gz JEEZVILRXLAWFQ-UHFFFAOYSA-N 0 0 453.029 4.724 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(CC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001492598682 1066648555 /nfs/dbraw/zinc/64/85/55/1066648555.db2.gz OEWDCGWULGVPFK-UHFFFAOYSA-N 0 0 471.646 4.557 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)nnn1Cc1ccc(F)cc1 ZINC001446038932 1066649834 /nfs/dbraw/zinc/64/98/34/1066649834.db2.gz WDXSUWYZZKYQKX-VWLOTQADSA-N 0 0 458.537 4.946 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)n1nnc(-c2ccccc2)n1 ZINC001446037457 1066650033 /nfs/dbraw/zinc/65/00/33/1066650033.db2.gz VZYTYYJILPWHJI-JWQCQUIFSA-N 0 0 455.562 4.842 20 0 JJADRN CN1CC[C@@H](C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21 ZINC001456628500 1066650246 /nfs/dbraw/zinc/65/02/46/1066650246.db2.gz YQCFRBLSSZQFPO-NZQKXSOJSA-N 0 0 455.643 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC001456626657 1066650311 /nfs/dbraw/zinc/65/03/11/1066650311.db2.gz XZRYGNMEBQSFSU-FQEVSTJZSA-N 0 0 452.599 4.762 20 0 JJADRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001456627991 1066650324 /nfs/dbraw/zinc/65/03/24/1066650324.db2.gz TYMIGDAJJSFYCB-VJOZSWGJSA-N 0 0 450.947 4.786 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C3)cc12 ZINC001456628325 1066650805 /nfs/dbraw/zinc/65/08/05/1066650805.db2.gz HYAFWEGWQIIFTI-NVXWUHKLSA-N 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COC(C)(C)CN(C)C(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446059995 1066653439 /nfs/dbraw/zinc/65/34/39/1066653439.db2.gz FHDNIKBEKAQNJB-UHFFFAOYSA-N 0 0 450.579 4.531 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)O1 ZINC001546083949 1066653538 /nfs/dbraw/zinc/65/35/38/1066653538.db2.gz VXKUWAJEPQSDMA-BWSHLYMBSA-N 0 0 460.594 4.910 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C ZINC001492600562 1066653725 /nfs/dbraw/zinc/65/37/25/1066653725.db2.gz NSXKWJDIXZMHNU-UHFFFAOYSA-N 0 0 496.700 4.954 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC001446066585 1066653863 /nfs/dbraw/zinc/65/38/63/1066653863.db2.gz JUGFNVRDUPAXMI-FUHWJXTLSA-N 0 0 456.587 4.622 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC001446066593 1066653927 /nfs/dbraw/zinc/65/39/27/1066653927.db2.gz JUGFNVRDUPAXMI-SJLPKXTDSA-N 0 0 456.587 4.622 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001456637393 1066654133 /nfs/dbraw/zinc/65/41/33/1066654133.db2.gz FQRFISQNWNUPBA-OAQYLSRUSA-N 0 0 454.452 4.647 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1nc(C)c(C(=O)OCC)s1 ZINC001456638032 1066654144 /nfs/dbraw/zinc/65/41/44/1066654144.db2.gz HTJBZJKMPBTNIN-CQSZACIVSA-N 0 0 457.596 4.718 20 0 JJADRN CCC[C@H](C)N(C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456639788 1066654646 /nfs/dbraw/zinc/65/46/46/1066654646.db2.gz LRMQFASKYAFRHL-JXFKEZNVSA-N 0 0 459.612 4.726 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001456638652 1066654654 /nfs/dbraw/zinc/65/46/54/1066654654.db2.gz VUZBJVUAUOAAJW-LLVKDONJSA-N 0 0 453.793 4.998 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001492601166 1066655165 /nfs/dbraw/zinc/65/51/65/1066655165.db2.gz YSAAWQOXWWGLOX-RTBURBONSA-N 0 0 455.990 4.632 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492601121 1066655172 /nfs/dbraw/zinc/65/51/72/1066655172.db2.gz XKTOYMKLOGOWLM-QGZVFWFLSA-N 0 0 488.430 4.817 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001456641138 1066655490 /nfs/dbraw/zinc/65/54/90/1066655490.db2.gz NYPBPKRKPDWBGA-UHFFFAOYSA-N 0 0 456.995 4.570 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1cc(C(=O)OC)ccc1Cl)c1nc(C)c(C(=O)OCC)s1 ZINC001456644023 1066656114 /nfs/dbraw/zinc/65/61/14/1066656114.db2.gz UWBZQFKGCRECIZ-GFCCVEGCSA-N 0 0 452.960 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCCO)c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446080419 1066656695 /nfs/dbraw/zinc/65/66/95/1066656695.db2.gz PJHLVFKKCBOCOK-XPWALMASSA-N 0 0 473.013 4.921 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001446081756 1066656921 /nfs/dbraw/zinc/65/69/21/1066656921.db2.gz WKFKYWHWQSZPMY-VWLOTQADSA-N 0 0 450.922 4.765 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001492601843 1066657006 /nfs/dbraw/zinc/65/70/06/1066657006.db2.gz HTAWFGGVGISNHH-QFIPXVFZSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492601870 1066657128 /nfs/dbraw/zinc/65/71/28/1066657128.db2.gz JGFLLPWKHBYGNF-JOCHJYFZSA-N 0 0 483.657 4.701 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)n1 ZINC001446086588 1066657510 /nfs/dbraw/zinc/65/75/10/1066657510.db2.gz LPMNONLQUJXULY-FQEVSTJZSA-N 0 0 453.564 4.866 20 0 JJADRN CCC[C@H](C)N(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc(C)c(C(=O)OCC)s1 ZINC001456646572 1066657512 /nfs/dbraw/zinc/65/75/12/1066657512.db2.gz ZGTOPEWEXMLZJW-LBPRGKRZSA-N 0 0 459.490 4.800 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@H]1C ZINC001492602119 1066657573 /nfs/dbraw/zinc/65/75/73/1066657573.db2.gz NKXVXZIJKGCLBI-YPAWHYETSA-N 0 0 483.657 4.872 20 0 JJADRN Cc1ccccc1OCCn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492602573 1066658350 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CC(C)(C)OC(=O)C1(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCCC1 ZINC001456683468 1066665866 /nfs/dbraw/zinc/66/58/66/1066665866.db2.gz HXETTXHLNWRIST-UHFFFAOYSA-N 0 0 456.543 4.519 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOc1ccccc1 ZINC001492607137 1066665867 /nfs/dbraw/zinc/66/58/67/1066665867.db2.gz GPDIEQVDKFJGKP-QHCPKHFHSA-N 0 0 492.624 4.617 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CC(C)C)CC2)c1 ZINC001492607102 1066665882 /nfs/dbraw/zinc/66/58/82/1066665882.db2.gz FIRYHEUKIMAESN-IBGZPJMESA-N 0 0 453.562 4.964 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@H]3[C@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492607209 1066665890 /nfs/dbraw/zinc/66/58/90/1066665890.db2.gz IRKDWAITOGPLSQ-IRLDBZIGSA-N 0 0 498.672 4.798 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC(C)C)CC2)c1 ZINC001492607103 1066665951 /nfs/dbraw/zinc/66/59/51/1066665951.db2.gz FIRYHEUKIMAESN-LJQANCHMSA-N 0 0 453.562 4.964 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1ccccc1 ZINC001456683243 1066665895 /nfs/dbraw/zinc/66/58/95/1066665895.db2.gz XENAIOXDLNIKIP-RUZDIDTESA-N 0 0 455.624 4.778 20 0 JJADRN C[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001446145057 1066666033 /nfs/dbraw/zinc/66/60/33/1066666033.db2.gz SWOPKFOLZVFHEM-MSOLQXFVSA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cccnc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492607372 1066666337 /nfs/dbraw/zinc/66/63/37/1066666337.db2.gz NTWJGOFEEXYZNV-YSIASYRMSA-N 0 0 468.646 4.673 20 0 JJADRN Cc1cccnc1Cn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001492607460 1066666403 /nfs/dbraw/zinc/66/64/03/1066666403.db2.gz QKGOXNFOOXGHNU-HXUWFJFHSA-N 0 0 470.415 4.668 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc1Br ZINC001456687761 1066666343 /nfs/dbraw/zinc/66/63/43/1066666343.db2.gz ADKMLIDJFLNRMI-IBGZPJMESA-N 0 0 453.174 4.644 20 0 JJADRN 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ZINC001492607336 1066667683 /nfs/dbraw/zinc/66/76/83/1066667683.db2.gz MLPZIJWTWTWKQB-LJQANCHMSA-N 0 0 484.645 4.552 20 0 JJADRN Cc1cccnc1Cn1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C ZINC001492607788 1066667693 /nfs/dbraw/zinc/66/76/93/1066667693.db2.gz ZQEMFDZNQOQDEZ-FQEVSTJZSA-N 0 0 470.415 4.668 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)c2cc(-c3ccc(Br)cc3)ns2)CCCC1 ZINC001456691731 1066668001 /nfs/dbraw/zinc/66/80/01/1066668001.db2.gz XORXACHRCFEYKI-UHFFFAOYSA-N 0 0 451.386 4.957 20 0 JJADRN CC(C)c1cc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)nn1-c1ccccc1 ZINC001456693049 1066668134 /nfs/dbraw/zinc/66/81/34/1066668134.db2.gz OJASCVINVPCVNL-QGZVFWFLSA-N 0 0 450.970 4.871 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492608073 1066668510 /nfs/dbraw/zinc/66/85/10/1066668510.db2.gz PQVOGJAAXNFORD-WKCHPHFGSA-N 0 0 455.647 4.822 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(F)(F)F)CC2)c1 ZINC001492608197 1066668527 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JJADRN O=C(/C=C\c1ccc(I)o1)OCc1cc(Br)ccc1F ZINC001456700886 1066670025 /nfs/dbraw/zinc/67/00/25/1066670025.db2.gz NZWDLVJQYDGDPE-UTCJRWHESA-N 0 0 451.029 4.542 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 ZINC001456701424 1066670060 /nfs/dbraw/zinc/67/00/60/1066670060.db2.gz HEUZSBSERXGARU-KRWDZBQOSA-N 0 0 457.621 4.672 20 0 JJADRN CC1=CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001492609196 1066670496 /nfs/dbraw/zinc/67/04/96/1066670496.db2.gz OKHRHCUDPUEMGU-UHFFFAOYSA-N 0 0 463.529 4.618 20 0 JJADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC=C(C)C2)cc1 ZINC001492609454 1066671152 /nfs/dbraw/zinc/67/11/52/1066671152.db2.gz QFTYXEGSHLCNLF-SFHVURJKSA-N 0 0 470.415 4.978 20 0 JJADRN CCC[C@@H]1CN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001446188062 1066671131 /nfs/dbraw/zinc/67/11/31/1066671131.db2.gz NFMMLWDXBWZVAD-XHCCPWGMSA-N 0 0 450.579 4.721 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F 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JMMNWOGZJMPEFN-HNNXBMFYSA-N 0 0 451.459 4.713 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)CCNC(=O)Nc2ccc(Br)cc2)s1 ZINC001456711632 1066672315 /nfs/dbraw/zinc/67/23/15/1066672315.db2.gz UUZDMYBBIUQKSF-CYBMUJFWSA-N 0 0 453.406 4.508 20 0 JJADRN CN1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC001446190512 1066672574 /nfs/dbraw/zinc/67/25/74/1066672574.db2.gz KCYDSBNBTLBQIW-GGAORHGYSA-N 0 0 457.343 4.682 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccccc3F)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001492610402 1066672777 /nfs/dbraw/zinc/67/27/77/1066672777.db2.gz TULKNCMSGRRMPL-IBGZPJMESA-N 0 0 455.578 4.888 20 0 JJADRN COc1ccc(F)cc1NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001446192662 1066673429 /nfs/dbraw/zinc/67/34/29/1066673429.db2.gz NLUVSBCUSCPMDQ-CQSZACIVSA-N 0 0 456.436 4.716 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001456719676 1066673787 /nfs/dbraw/zinc/67/37/87/1066673787.db2.gz NYFVHWBZZDFNGK-SFHVURJKSA-N 0 0 459.377 4.746 20 0 JJADRN 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ZINC001492613430 1066675626 /nfs/dbraw/zinc/67/56/26/1066675626.db2.gz SZNPMELSRCIGMB-FQEVSTJZSA-N 0 0 463.548 4.515 20 0 JJADRN CC1=CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001492613245 1066675667 /nfs/dbraw/zinc/67/56/67/1066675667.db2.gz MZNGEKBNJGKANS-JOCHJYFZSA-N 0 0 469.630 4.605 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545982706 1066675742 /nfs/dbraw/zinc/67/57/42/1066675742.db2.gz PWFFCPGMRBOLAS-NQIIRXRSSA-N 0 0 487.620 4.893 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cs2)cc1 ZINC001456730547 1066675897 /nfs/dbraw/zinc/67/58/97/1066675897.db2.gz BGNKQAYLZRRPBP-LJQANCHMSA-N 0 0 452.532 4.521 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC=C(C)C3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001492613556 1066676030 /nfs/dbraw/zinc/67/60/30/1066676030.db2.gz YZLWZLAEGKOVQZ-UHFFFAOYSA-N 0 0 455.603 4.627 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)c3ccc(OCC(F)(F)F)cn3)cc2)n1 ZINC001456732686 1066676916 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JJADRN CC1=CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492615180 1066680301 /nfs/dbraw/zinc/68/03/01/1066680301.db2.gz CLDFHJMYHSNLOG-UHFFFAOYSA-N 0 0 451.615 4.771 20 0 JJADRN CC(C)(C)OC(=O)C1CCC(NC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001446253209 1066680482 /nfs/dbraw/zinc/68/04/82/1066680482.db2.gz DYQUPESYLLJMMQ-IWAAJCSBSA-N 0 0 453.579 4.706 20 0 JJADRN CC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001492615480 1066681194 /nfs/dbraw/zinc/68/11/94/1066681194.db2.gz OGZVWAJHXUCDTE-IPVFLDMMSA-N 0 0 460.663 4.705 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001492615422 1066681202 /nfs/dbraw/zinc/68/12/02/1066681202.db2.gz MDRATKNTKYSKHU-QGZVFWFLSA-N 0 0 456.388 4.670 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2nn(C)c(C)c2Br)c1C ZINC001456752056 1066681216 /nfs/dbraw/zinc/68/12/16/1066681216.db2.gz OBQRPUMIKPEAKQ-UHFFFAOYSA-N 0 0 457.159 4.853 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC001456752412 1066681233 /nfs/dbraw/zinc/68/12/33/1066681233.db2.gz WHERPUFOQLXFSK-CQSZACIVSA-N 0 0 451.283 4.501 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)c2C2CC2)cc1Cl ZINC001456751315 1066681336 /nfs/dbraw/zinc/68/13/36/1066681336.db2.gz TYNLPPKOQLIIRS-HXUWFJFHSA-N 0 0 458.990 4.745 20 0 JJADRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446260696 1066681225 /nfs/dbraw/zinc/68/12/25/1066681225.db2.gz SUJKGYGHJHDABT-YESZJQIVSA-N 0 0 458.521 4.730 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001492615371 1066681237 /nfs/dbraw/zinc/68/12/37/1066681237.db2.gz KCCHPLMUHYDNSH-UHFFFAOYSA-N 0 0 455.404 4.501 20 0 JJADRN Cc1ccc(O[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C)CC2)cc1 ZINC001492615552 1066681654 /nfs/dbraw/zinc/68/16/54/1066681654.db2.gz QJSAZLVJSXZOKJ-QGZVFWFLSA-N 0 0 456.388 4.968 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001446270878 1066681812 /nfs/dbraw/zinc/68/18/12/1066681812.db2.gz BQOSLDLKKCPMCM-XZZVZQAVSA-N 0 0 458.558 4.538 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC001446271821 1066682489 /nfs/dbraw/zinc/68/24/89/1066682489.db2.gz HEBKWQIQUMRHJJ-UHFFFAOYSA-N 0 0 456.612 4.578 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)CCc2nc(-c3ccoc3)no2)c1)c1ccccc1 ZINC001456761528 1066682590 /nfs/dbraw/zinc/68/25/90/1066682590.db2.gz DSPKFMRJWMZQSB-UHFFFAOYSA-N 0 0 450.882 4.831 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001446272635 1066683073 /nfs/dbraw/zinc/68/30/73/1066683073.db2.gz KIFUBWYCRMFAEJ-LJQANCHMSA-N 0 0 454.567 4.655 20 0 JJADRN CC1=CCN(c2nnc(-c3ccccc3Br)n2Cc2nccc(C(F)F)n2)CC1 ZINC001492616042 1066683096 /nfs/dbraw/zinc/68/30/96/1066683096.db2.gz INXVLMMAULZNSD-UHFFFAOYSA-N 0 0 461.314 4.640 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001492617384 1066684419 /nfs/dbraw/zinc/68/44/19/1066684419.db2.gz FELQFLMOEBEFKZ-NHCUHLMSSA-N 0 0 473.662 4.754 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C)CC3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492618530 1066685885 /nfs/dbraw/zinc/68/58/85/1066685885.db2.gz MOJJQMHWTQNXKP-UHFFFAOYSA-N 0 0 464.426 4.604 20 0 JJADRN CC1=CCN(c2nnc(Cc3cccnc3)n2CCc2cc(Br)ccc2F)CC1 ZINC001492618803 1066685905 /nfs/dbraw/zinc/68/59/05/1066685905.db2.gz XSIWCSZGLSSIPN-UHFFFAOYSA-N 0 0 456.363 4.565 20 0 JJADRN C[C@@](O)(CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC001446289128 1066686132 /nfs/dbraw/zinc/68/61/32/1066686132.db2.gz DMXZERVCUFJOAO-HSZRJFAPSA-N 0 0 458.436 4.774 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446295474 1066686819 /nfs/dbraw/zinc/68/68/19/1066686819.db2.gz VZHCDYCAFQDONE-JOCHJYFZSA-N 0 0 457.018 4.576 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 ZINC001456773476 1066687007 /nfs/dbraw/zinc/68/70/07/1066687007.db2.gz UZZIAQXBSNNMKR-UHFFFAOYSA-N 0 0 457.456 4.998 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001446295571 1066687655 /nfs/dbraw/zinc/68/76/55/1066687655.db2.gz GIWPXGLRYFCVJX-QWQRMKEZSA-N 0 0 457.384 4.671 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001492619874 1066688000 /nfs/dbraw/zinc/68/80/00/1066688000.db2.gz MZEDKUWQVULQLZ-UHFFFAOYSA-N 0 0 479.650 4.803 20 0 JJADRN CCC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC ZINC001446298813 1066688389 /nfs/dbraw/zinc/68/83/89/1066688389.db2.gz JTFWGRQIOWIOAL-MRXNPFEDSA-N 0 0 455.411 4.724 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001446299494 1066688407 /nfs/dbraw/zinc/68/84/07/1066688407.db2.gz XHFOSSSYPKBDQW-BBRMVZONSA-N 0 0 457.384 4.529 20 0 JJADRN O=C(CC1OCCCO1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001456778944 1066688478 /nfs/dbraw/zinc/68/84/78/1066688478.db2.gz CLPVHRXGQPNXOU-GOSISDBHSA-N 0 0 456.739 4.795 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc(S(C)(=O)=O)cc3)c2c1 ZINC001456780373 1066688520 /nfs/dbraw/zinc/68/85/20/1066688520.db2.gz FZWJNKRMUNLRGR-UHFFFAOYSA-N 0 0 450.585 4.947 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2ccc(F)cc2)c(Br)cc1F ZINC001456778902 1066688582 /nfs/dbraw/zinc/68/85/82/1066688582.db2.gz WZZPNBHLOVQBMS-UHFFFAOYSA-N 0 0 451.223 4.730 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001492619885 1066688738 /nfs/dbraw/zinc/68/87/38/1066688738.db2.gz NJYVTRNLCVFALH-YTTGMZPUSA-N 0 0 456.656 4.612 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)Oc1cccc(F)c1 ZINC001545984126 1066689003 /nfs/dbraw/zinc/68/90/03/1066689003.db2.gz DLLJUWQUBWEFFT-GOSISDBHSA-N 0 0 487.517 4.565 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccc(OCCC(C)C)cc4)n3CCC(C)(C)O)C2)c1 ZINC001492620258 1066689355 /nfs/dbraw/zinc/68/93/55/1066689355.db2.gz AXJQSKGIGYNVRU-HSZRJFAPSA-N 0 0 480.657 4.877 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)c1 ZINC001456782778 1066689413 /nfs/dbraw/zinc/68/94/13/1066689413.db2.gz HTRFNOCMQRVVPJ-UHFFFAOYSA-N 0 0 452.551 4.924 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001492620200 1066689431 /nfs/dbraw/zinc/68/94/31/1066689431.db2.gz ZHSAUXWSXLXHIZ-UHFFFAOYSA-N 0 0 452.628 4.828 20 0 JJADRN CCCCCN(CCO)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001446317933 1066689477 /nfs/dbraw/zinc/68/94/77/1066689477.db2.gz STRNAWJBIWASIW-UHFFFAOYSA-N 0 0 452.502 4.639 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545984412 1066689575 /nfs/dbraw/zinc/68/95/75/1066689575.db2.gz JWEDDLQXCIWDSV-MOPGFXCFSA-N 0 0 473.593 4.646 20 0 JJADRN COc1ccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c(OC2CCCC2)c1 ZINC001456784531 1066689820 /nfs/dbraw/zinc/68/98/20/1066689820.db2.gz ZXMXKNGCFWEFHW-UHFFFAOYSA-N 0 0 458.864 4.893 20 0 JJADRN CCc1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456786427 1066689829 /nfs/dbraw/zinc/68/98/29/1066689829.db2.gz KIIWDUQIJXUWME-OAQYLSRUSA-N 0 0 457.361 4.619 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3F)C2)c1 ZINC001492620304 1066689992 /nfs/dbraw/zinc/68/99/92/1066689992.db2.gz BWLNHCUTEWEJNE-FQEVSTJZSA-N 0 0 453.610 4.588 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C2CC2)ccc1F ZINC001446324424 1066690445 /nfs/dbraw/zinc/69/04/45/1066690445.db2.gz SCCCDQPRMSGSIM-QFIPXVFZSA-N 0 0 458.580 4.555 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3CCC(C)(C)O)C2)c1 ZINC001492620543 1066690736 /nfs/dbraw/zinc/69/07/36/1066690736.db2.gz HKASJBSXAFRNDU-QUCCMNQESA-N 0 0 473.021 4.579 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccccc4F)n3CCSC(F)(F)F)C2)c1 ZINC001492620503 1066690781 /nfs/dbraw/zinc/69/07/81/1066690781.db2.gz GVTFYDULDRVEBP-HNNXBMFYSA-N 0 0 454.497 4.684 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(OC)C2CC2)CCO1 ZINC001546084938 1066690901 /nfs/dbraw/zinc/69/09/01/1066690901.db2.gz ASPHLHIOAXLGDO-UXHICEINSA-N 0 0 469.449 4.590 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(OC)C2CC2)CCO1 ZINC001546084937 1066690935 /nfs/dbraw/zinc/69/09/35/1066690935.db2.gz ASPHLHIOAXLGDO-PMACEKPBSA-N 0 0 469.449 4.590 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)c(F)c2)c(F)c1 ZINC001446327547 1066690978 /nfs/dbraw/zinc/69/09/78/1066690978.db2.gz FRDKXWFQHIPLEQ-HXUWFJFHSA-N 0 0 459.518 4.880 20 0 JJADRN COC(=O)[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)c(F)c1 ZINC001446331862 1066692101 /nfs/dbraw/zinc/69/21/01/1066692101.db2.gz ZRIQEBTZHGGNPZ-OAHLLOKOSA-N 0 0 452.718 4.841 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)(F)F)CC2)c1 ZINC001492621914 1066692829 /nfs/dbraw/zinc/69/28/29/1066692829.db2.gz DGKKYTVFMQTJNL-WOJBJXKFSA-N 0 0 464.605 4.664 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCc3nc(C(F)(F)F)cs3)CC2)c1 ZINC001492621636 1066692839 /nfs/dbraw/zinc/69/28/39/1066692839.db2.gz DKVHRQWFNGFDEP-UHFFFAOYSA-N 0 0 481.592 4.715 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC4CCCC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)c1 ZINC001492621655 1066692938 /nfs/dbraw/zinc/69/29/38/1066692938.db2.gz FDSOQMCWEABRAU-OAQYLSRUSA-N 0 0 485.677 4.661 20 0 JJADRN C[C@H](CC(=O)N(CCCO)Cc1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446333600 1066693027 /nfs/dbraw/zinc/69/30/27/1066693027.db2.gz NZXICDDULCJSJT-GOSISDBHSA-N 0 0 453.023 4.724 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)C1 ZINC001456798422 1066692923 /nfs/dbraw/zinc/69/29/23/1066692923.db2.gz HJLIQYSRRUUFOC-VGSWGCGISA-N 0 0 454.542 4.825 20 0 JJADRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001456801726 1066693646 /nfs/dbraw/zinc/69/36/46/1066693646.db2.gz MRRVCFJKSJIZMO-UHFFFAOYSA-N 0 0 455.308 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N3CCc4cc(F)ccc4C3)s2)CC1 ZINC001446340664 1066693537 /nfs/dbraw/zinc/69/35/37/1066693537.db2.gz RFAFGPNJDQBUPV-UHFFFAOYSA-N 0 0 459.587 4.670 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCSCC(F)(F)F)CC2)c1 ZINC001492622511 1066694207 /nfs/dbraw/zinc/69/42/07/1066694207.db2.gz PFPGNPDUEGMFEA-UHFFFAOYSA-N 0 0 499.994 4.711 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3cc(Br)ccc3F)C2)c1 ZINC001492622693 1066694226 /nfs/dbraw/zinc/69/42/26/1066694226.db2.gz RQHUTKFKEQXMFF-HXUWFJFHSA-N 0 0 489.437 4.967 20 0 JJADRN CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC001446342686 1066694212 /nfs/dbraw/zinc/69/42/12/1066694212.db2.gz YSMNJYYWUGDWJB-UHFFFAOYSA-N 0 0 450.558 4.531 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N(C)CCCC(=O)OC(C)(C)C)c(=O)[nH]1 ZINC001456802496 1066694322 /nfs/dbraw/zinc/69/43/22/1066694322.db2.gz PUXCRHGARYGKFS-UHFFFAOYSA-N 0 0 453.583 4.912 20 0 JJADRN O=C(NCc1cccc(CN2C(=O)CSC2=O)c1)c1cc2ccccc2cc1OC(F)F ZINC001446353467 1066694811 /nfs/dbraw/zinc/69/48/11/1066694811.db2.gz JTTNMVNMRXXILF-UHFFFAOYSA-N 0 0 456.470 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2ccsc2C1)Cc1cc(F)c(F)cc1F ZINC001456803292 1066695206 /nfs/dbraw/zinc/69/52/06/1066695206.db2.gz INIYJMOZJPKVDH-OAHLLOKOSA-N 0 0 454.514 4.576 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCc3ccsc3C2)c(O)c1)c1cccc(Br)c1 ZINC001456804417 1066695299 /nfs/dbraw/zinc/69/52/99/1066695299.db2.gz MIULFPWFLIGKRR-UHFFFAOYSA-N 0 0 457.349 4.667 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC4CCCC4)n3C[C@](C)(O)CCC(C)C)CC2)c1 ZINC001492623261 1066695412 /nfs/dbraw/zinc/69/54/12/1066695412.db2.gz YRLLBCFUDUFPMA-AREMUKBSSA-N 0 0 456.679 4.620 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001456804565 1066695806 /nfs/dbraw/zinc/69/58/06/1066695806.db2.gz AZRMUGGRLFZYIK-CYFREDJKSA-N 0 0 458.599 4.922 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)cc1 ZINC001456807038 1066696620 /nfs/dbraw/zinc/69/66/20/1066696620.db2.gz HHWFUKLXYWFVLO-MHECFPHRSA-N 0 0 450.608 4.985 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1sc(SC(F)(F)F)nc1C)c1cccc(Cl)c1 ZINC001456806378 1066696662 /nfs/dbraw/zinc/69/66/62/1066696662.db2.gz BCHJXQNXPSGHSL-LBPRGKRZSA-N 0 0 452.907 4.680 20 0 JJADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4Br)n3CCCC(C)C)CCO2)c1 ZINC001492624495 1066696736 /nfs/dbraw/zinc/69/67/36/1066696736.db2.gz MOGLEMITWFIJNJ-IBGZPJMESA-N 0 0 487.446 4.554 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)CC(C)(C)C2)c1 ZINC001492624568 1066696777 /nfs/dbraw/zinc/69/67/77/1066696777.db2.gz WOCIZTROXZYPBS-MRXNPFEDSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)c1 ZINC001492624567 1066696806 /nfs/dbraw/zinc/69/68/06/1066696806.db2.gz WOCIZTROXZYPBS-INIZCTEOSA-N 0 0 457.420 4.785 20 0 JJADRN Cc1cnn(C[C@H]2CN(c3nnc(-c4ccccc4Br)n3CCCC(C)C)CCO2)c1 ZINC001492624496 1066696816 /nfs/dbraw/zinc/69/68/16/1066696816.db2.gz MOGLEMITWFIJNJ-LJQANCHMSA-N 0 0 487.446 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 ZINC001456807255 1066697181 /nfs/dbraw/zinc/69/71/81/1066697181.db2.gz ABFBBOLUZKRCBB-KFWWJZLASA-N 0 0 451.386 4.934 20 0 JJADRN Cc1ccc(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1OCC1CCOCC1 ZINC001456807265 1066697218 /nfs/dbraw/zinc/69/72/18/1066697218.db2.gz IRNRTQJOCDZAST-MHZLTWQESA-N 0 0 450.579 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C2 ZINC001456808570 1066697278 /nfs/dbraw/zinc/69/72/78/1066697278.db2.gz YNPUFUQGXBYLGJ-UIFIKXQLSA-N 0 0 454.954 4.841 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001492624751 1066697389 /nfs/dbraw/zinc/69/73/89/1066697389.db2.gz ZQCBGDJLEWSZIP-YZGWKJHDSA-N 0 0 476.547 4.875 20 0 JJADRN Cc1cnn(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001492624784 1066697481 /nfs/dbraw/zinc/69/74/81/1066697481.db2.gz PFNYPXSMKIAPAW-UHFFFAOYSA-N 0 0 489.546 4.521 20 0 JJADRN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001446375924 1066697821 /nfs/dbraw/zinc/69/78/21/1066697821.db2.gz LJEGGYFLDLANLP-CQSZACIVSA-N 0 0 451.013 4.828 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(C(C)(C)C)cc1 ZINC001456810440 1066697830 /nfs/dbraw/zinc/69/78/30/1066697830.db2.gz FYYWJAOESQRLMB-SFHVURJKSA-N 0 0 455.580 4.839 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456808966 1066697874 /nfs/dbraw/zinc/69/78/74/1066697874.db2.gz FJSZTFZCBBTTAD-JPYJTQIMSA-N 0 0 450.579 4.706 20 0 JJADRN Cc1cnn(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC001492626580 1066698053 /nfs/dbraw/zinc/69/80/53/1066698053.db2.gz QKNWXCOZSYPVBK-KNQAVFIVSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H]2CC=CCC2)c1 ZINC001492626668 1066698063 /nfs/dbraw/zinc/69/80/63/1066698063.db2.gz GTQJFBYAFPITNB-QGZVFWFLSA-N 0 0 473.394 4.844 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1ccc(F)cc1Br)c1ccc(C(C)(C)C)cc1 ZINC001456811974 1066698604 /nfs/dbraw/zinc/69/86/04/1066698604.db2.gz JBWLFFSTFUJDJM-IBGZPJMESA-N 0 0 450.348 4.849 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1nn(-c2ccccc2)cc1Br ZINC001456810647 1066698633 /nfs/dbraw/zinc/69/86/33/1066698633.db2.gz GVTOTLSLIMKANE-HNNXBMFYSA-N 0 0 459.775 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)C2 ZINC001456812131 1066698668 /nfs/dbraw/zinc/69/86/68/1066698668.db2.gz XEVNCYHSBUYVGK-RLLQIKCJSA-N 0 0 457.571 4.783 20 0 JJADRN CC(C)(NC(=O)Nc1ccccc1)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001446379532 1066698565 /nfs/dbraw/zinc/69/85/65/1066698565.db2.gz QLQXNRVHQWTFBU-UHFFFAOYSA-N 0 0 451.517 4.835 20 0 JJADRN C[C@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001446379944 1066699118 /nfs/dbraw/zinc/69/91/18/1066699118.db2.gz PEDBANLOJQWIIS-KDYSTLNUSA-N 0 0 459.590 4.791 20 0 JJADRN Cc1ccc(NC(=O)c2nn(C(C)(C)C)cc2Br)cc1OCC1CCOCC1 ZINC001456814891 1066699083 /nfs/dbraw/zinc/69/90/83/1066699083.db2.gz WIBWTFKITBDJGZ-UHFFFAOYSA-N 0 0 450.377 4.767 20 0 JJADRN Cc1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1OCC1CCOCC1 ZINC001456813134 1066699237 /nfs/dbraw/zinc/69/92/37/1066699237.db2.gz SYFHCSQEZIZQBB-UHFFFAOYSA-N 0 0 456.340 4.758 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1)CCC2 ZINC001492628291 1066699366 /nfs/dbraw/zinc/69/93/66/1066699366.db2.gz CKKMGVKWTBVBTQ-FQEVSTJZSA-N 0 0 468.621 4.994 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)ccc1OCc1cscn1 ZINC001456816901 1066699964 /nfs/dbraw/zinc/69/99/64/1066699964.db2.gz GEVCWHDXMLETGD-QGZVFWFLSA-N 0 0 457.983 4.783 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)c1 ZINC001492628738 1066700004 /nfs/dbraw/zinc/70/00/04/1066700004.db2.gz LTYXSMZRCQPNQS-LRXVAGHRSA-N 0 0 472.584 4.877 20 0 JJADRN C[C@@H](CO)NC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl ZINC001446386958 1066700424 /nfs/dbraw/zinc/70/04/24/1066700424.db2.gz QHQHWJQWRTVRFW-HNNXBMFYSA-N 0 0 450.922 4.812 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(-c3cccc(Br)c3)nnc1N(C)CC(C)C)CCC2 ZINC001492629333 1066700720 /nfs/dbraw/zinc/70/07/20/1066700720.db2.gz ZNMLOWIKCOCMIO-SFHVURJKSA-N 0 0 457.420 4.882 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628839 1066700744 /nfs/dbraw/zinc/70/07/44/1066700744.db2.gz NZDGAFGKQPNZGV-RBBKRZOGSA-N 0 0 499.704 4.689 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC001456820058 1066701140 /nfs/dbraw/zinc/70/11/40/1066701140.db2.gz WCEFZAWMABGQDA-AZUAARDMSA-N 0 0 458.440 4.612 20 0 JJADRN Cc1nc(CSCC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cs1 ZINC001446394052 1066701444 /nfs/dbraw/zinc/70/14/44/1066701444.db2.gz YXXDKOQSVKMQFA-IBGZPJMESA-N 0 0 454.543 4.907 20 0 JJADRN Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cnn1-c1ccncc1 ZINC001456825575 1066701674 /nfs/dbraw/zinc/70/16/74/1066701674.db2.gz QSUIIOUAVKUFKF-UHFFFAOYSA-N 0 0 453.384 4.970 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](C)(C(N)=O)C2)s1 ZINC001492629865 1066701860 /nfs/dbraw/zinc/70/18/60/1066701860.db2.gz JGXXIYGSRWNQKX-GTJPDFRWSA-N 0 0 479.437 4.522 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)NCCCOC3CCOCC3)c2c1C ZINC001456825684 1066701830 /nfs/dbraw/zinc/70/18/30/1066701830.db2.gz RHTGTGIZWROJCB-UHFFFAOYSA-N 0 0 457.621 4.775 20 0 JJADRN CCCOc1cccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC001446396980 1066701904 /nfs/dbraw/zinc/70/19/04/1066701904.db2.gz WNEFYBJBXYYNTR-UHFFFAOYSA-N 0 0 452.576 4.557 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCn2cccn2)s1 ZINC001492629907 1066702450 /nfs/dbraw/zinc/70/24/50/1066702450.db2.gz JTACZMWDADYCHU-AEFFLSMTSA-N 0 0 486.045 4.973 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)s1 ZINC001492629897 1066702496 /nfs/dbraw/zinc/70/24/96/1066702496.db2.gz JQQBVVMWEFONSJ-AWEZNQCLSA-N 0 0 496.450 4.871 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCOCC2)s1 ZINC001492629949 1066702513 /nfs/dbraw/zinc/70/25/13/1066702513.db2.gz KQFWWJAPWBRAFK-AWEZNQCLSA-N 0 0 462.417 4.503 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC001456832288 1066702866 /nfs/dbraw/zinc/70/28/66/1066702866.db2.gz QBVDKSYEORSFEI-GWJCSSMESA-N 0 0 459.365 4.911 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC001456833094 1066702902 /nfs/dbraw/zinc/70/29/02/1066702902.db2.gz ZGEHSCNONHXOGU-ZDUSSCGKSA-N 0 0 453.764 4.519 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001492630000 1066703023 /nfs/dbraw/zinc/70/30/23/1066703023.db2.gz LQWHDKUZSBVCCN-ZWKOTPCHSA-N 0 0 482.654 4.959 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccnc(C(F)(F)F)c2)c2ccc(OC)cc2)n1 ZINC001456835437 1066703375 /nfs/dbraw/zinc/70/33/75/1066703375.db2.gz LXNWRFUAWVUWTD-UHFFFAOYSA-N 0 0 451.426 4.721 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccccn2)s1 ZINC001492629534 1066703331 /nfs/dbraw/zinc/70/33/31/1066703331.db2.gz CNDQYZQGJPTEHM-SFHVURJKSA-N 0 0 475.622 4.747 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc3nc(C)n(C)c3c2)c2ccc(OC)cc2)n1 ZINC001456835186 1066703509 /nfs/dbraw/zinc/70/35/09/1066703509.db2.gz LFKBZWPKZMDCOP-UHFFFAOYSA-N 0 0 450.520 4.502 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492630109 1066703565 /nfs/dbraw/zinc/70/35/65/1066703565.db2.gz OBLZZAIKSHJAPE-UONOGXRCSA-N 0 0 462.417 4.501 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)CCC2 ZINC001446420300 1066703566 /nfs/dbraw/zinc/70/35/66/1066703566.db2.gz AFHDYEHBDVAYPP-DCFHFQCYSA-N 0 0 450.398 4.539 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC001492630311 1066703937 /nfs/dbraw/zinc/70/39/37/1066703937.db2.gz RRFLASDUPBRKCR-KRWDZBQOSA-N 0 0 484.645 4.642 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1cccc3c1OCCN(C(=O)OC(C)(C)C)C3)CCC2 ZINC001446427657 1066704022 /nfs/dbraw/zinc/70/40/22/1066704022.db2.gz LMGPNYPUCQEEQV-QFIPXVFZSA-N 0 0 452.551 4.632 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cnccn2)s1 ZINC001492630238 1066704118 /nfs/dbraw/zinc/70/41/18/1066704118.db2.gz QIWOJTBSXTXGEP-ZDUSSCGKSA-N 0 0 457.966 4.733 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC(c3cc(C)cc(C)c3)CC2)cc1 ZINC001456843012 1066704590 /nfs/dbraw/zinc/70/45/90/1066704590.db2.gz DOOHZFBGLKTUJC-UHFFFAOYSA-N 0 0 450.608 4.656 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001456849232 1066705037 /nfs/dbraw/zinc/70/50/37/1066705037.db2.gz AFAOEDGOPUDEAY-OYHNWAKOSA-N 0 0 475.408 4.535 20 0 JJADRN CCC[C@@H](C(=O)N[C@@H]1COC(C)(C)C1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001456843756 1066705170 /nfs/dbraw/zinc/70/51/70/1066705170.db2.gz DPMBVGXOJSMOMC-UUOWRZLLSA-N 0 0 450.579 4.720 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492630534 1066705099 /nfs/dbraw/zinc/70/50/99/1066705099.db2.gz WGSHPGVYFOEALC-PKOBYXMFSA-N 0 0 482.654 4.720 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(CC(C)C)C2CCCC2)s1 ZINC001492630590 1066705565 /nfs/dbraw/zinc/70/55/65/1066705565.db2.gz XGFJTSBFORPGND-QGZVFWFLSA-N 0 0 467.643 4.899 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492630702 1066705661 /nfs/dbraw/zinc/70/56/61/1066705661.db2.gz ZEMXGZDINRRRCK-ZCGYKAAXSA-N 0 0 491.036 4.614 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492630739 1066706168 /nfs/dbraw/zinc/70/61/68/1066706168.db2.gz ZTAGRNSAAWDFDG-BHIYHBOVSA-N 0 0 473.618 4.989 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2c(C)noc2C)s1 ZINC001492630892 1066706179 /nfs/dbraw/zinc/70/61/79/1066706179.db2.gz BYNFPHWTLVSMLW-MRXNPFEDSA-N 0 0 450.612 4.987 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2snnc2C)CCO1 ZINC001546085264 1066706195 /nfs/dbraw/zinc/70/61/95/1066706195.db2.gz HWUJFFLAJPBUCA-LJQANCHMSA-N 0 0 497.850 4.575 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)c2)cc1 ZINC001446454564 1066706267 /nfs/dbraw/zinc/70/62/67/1066706267.db2.gz CHDFDYMEDLRLNF-UHFFFAOYSA-N 0 0 454.548 4.751 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630989 1066706618 /nfs/dbraw/zinc/70/66/18/1066706618.db2.gz DDHWGNASUPWMPF-QAPCUYQASA-N 0 0 460.648 4.608 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545986252 1066706839 /nfs/dbraw/zinc/70/68/39/1066706839.db2.gz CAPXJEKQODLKGC-GMAHTHKFSA-N 0 0 499.656 4.913 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001446463670 1066706989 /nfs/dbraw/zinc/70/69/89/1066706989.db2.gz ZMNNMYGVNKBKJY-HNNXBMFYSA-N 0 0 457.552 4.537 20 0 JJADRN CC(C)(C)c1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)c1 ZINC001446461747 1066707005 /nfs/dbraw/zinc/70/70/05/1066707005.db2.gz UKYFBUNSYCCRMY-UHFFFAOYSA-N 0 0 450.607 4.544 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001456858449 1066707229 /nfs/dbraw/zinc/70/72/29/1066707229.db2.gz CBKZPQNACWVQBL-UHFFFAOYSA-N 0 0 459.508 4.670 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545986333 1066707522 /nfs/dbraw/zinc/70/75/22/1066707522.db2.gz DBIYWLOBKQCOGZ-SFTDATJTSA-N 0 0 487.645 4.511 20 0 JJADRN C[C@H](C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cccc(Br)c1 ZINC001456860474 1066707985 /nfs/dbraw/zinc/70/79/85/1066707985.db2.gz DYVGLPNYBQXTKB-JAGHRAMZSA-N 0 0 456.302 4.694 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001492631429 1066707868 /nfs/dbraw/zinc/70/78/68/1066707868.db2.gz KQZDTKJQTLUJOA-CVEARBPZSA-N 0 0 496.578 4.649 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492631419 1066707885 /nfs/dbraw/zinc/70/78/85/1066707885.db2.gz KLYOORZASMPKKM-WMLDXEAASA-N 0 0 476.444 4.750 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(C1)CCCCC2)OC ZINC001545986367 1066707936 /nfs/dbraw/zinc/70/79/36/1066707936.db2.gz DUDJEMLDTSLCBR-SFTDATJTSA-N 0 0 475.678 4.978 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001456861393 1066708272 /nfs/dbraw/zinc/70/82/72/1066708272.db2.gz LDFPZEYQUINIOA-QGZVFWFLSA-N 0 0 451.523 4.529 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccccn2)s1 ZINC001492631593 1066708303 /nfs/dbraw/zinc/70/83/03/1066708303.db2.gz OACZHYXLHMZYPO-HNNXBMFYSA-N 0 0 454.550 4.747 20 0 JJADRN CO[C@H](CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C(C)(C)C ZINC001456862316 1066708309 /nfs/dbraw/zinc/70/83/09/1066708309.db2.gz LYIYTDSDCVVTON-GFCCVEGCSA-N 0 0 453.839 4.970 20 0 JJADRN Cc1cc(C(C)(C)C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)ccc1Br ZINC001456862276 1066708382 /nfs/dbraw/zinc/70/83/82/1066708382.db2.gz LTNQKZDSLMQHEW-OAHLLOKOSA-N 0 0 452.393 4.810 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)ccc2c1 ZINC001456860834 1066708457 /nfs/dbraw/zinc/70/84/57/1066708457.db2.gz VPAAGOVFJBPSQU-KRXBEKAOSA-N 0 0 452.551 4.589 20 0 JJADRN COCCCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)cn1 ZINC001456861979 1066708470 /nfs/dbraw/zinc/70/84/70/1066708470.db2.gz LKCVQKPCDKBRDG-DEOSSOPVSA-N 0 0 454.954 4.987 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCCN(CC(F)(F)F)CC2)s1 ZINC001492631501 1066708412 /nfs/dbraw/zinc/70/84/12/1066708412.db2.gz LRSUDQAREFCWKD-GOSISDBHSA-N 0 0 492.615 4.820 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)s1 ZINC001492631579 1066708463 /nfs/dbraw/zinc/70/84/63/1066708463.db2.gz NSTJPXNSZPUTNS-KRWDZBQOSA-N 0 0 463.611 4.727 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492631866 1066708916 /nfs/dbraw/zinc/70/89/16/1066708916.db2.gz SMIPOZSAANPHTR-NVXWUHKLSA-N 0 0 461.582 4.721 20 0 JJADRN CC(C)CCSCC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001456864255 1066709081 /nfs/dbraw/zinc/70/90/81/1066709081.db2.gz JBRDCKGVRWGTGC-UHFFFAOYSA-N 0 0 455.443 4.923 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545986798 1066709045 /nfs/dbraw/zinc/70/90/45/1066709045.db2.gz KOOZMEREZYWXHG-XUVXKRRUSA-N 0 0 481.707 4.540 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545986778 1066709054 /nfs/dbraw/zinc/70/90/54/1066709054.db2.gz KCFCNZMUGPLNMB-NRFANRHFSA-N 0 0 471.621 4.627 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545986779 1066709152 /nfs/dbraw/zinc/70/91/52/1066709152.db2.gz KCFCNZMUGPLNMB-OAQYLSRUSA-N 0 0 471.621 4.627 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2ccc(F)cc2)C(C)C)s1 ZINC001492631948 1066709435 /nfs/dbraw/zinc/70/94/35/1066709435.db2.gz UTKHJVLPHBRMGW-MRXNPFEDSA-N 0 0 453.591 4.801 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1ccccc1 ZINC001456864484 1066709608 /nfs/dbraw/zinc/70/96/08/1066709608.db2.gz JXRPTNXQZUSLOP-IBGZPJMESA-N 0 0 459.365 4.532 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC001446486746 1066709611 /nfs/dbraw/zinc/70/96/11/1066709611.db2.gz LFZSGPQUBMLSHP-KNQAVFIVSA-N 0 0 456.949 4.741 20 0 JJADRN O=C(CCC(=O)c1ccc2ccccc2c1)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001456865805 1066709640 /nfs/dbraw/zinc/70/96/40/1066709640.db2.gz ISNAITIPGDOALT-UHFFFAOYSA-N 0 0 455.476 4.944 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)s1 ZINC001492632275 1066709876 /nfs/dbraw/zinc/70/98/76/1066709876.db2.gz AMOXZGKASTYTDX-IDHHARJASA-N 0 0 492.093 4.789 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Br)[C@@H](O)Cc1ccccc1 ZINC001446488741 1066710006 /nfs/dbraw/zinc/71/00/06/1066710006.db2.gz CDZNEAKMGNTEML-VGSWGCGISA-N 0 0 454.364 4.750 20 0 JJADRN COc1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)ccc1OCC(C)C ZINC001446487872 1066710116 /nfs/dbraw/zinc/71/01/16/1066710116.db2.gz BUCGSJDCZJCGMP-FQEVSTJZSA-N 0 0 457.571 4.944 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)CCO1 ZINC001546085341 1066710127 /nfs/dbraw/zinc/71/01/27/1066710127.db2.gz JSNSEFFXVKHVFR-FQEVSTJZSA-N 0 0 469.449 4.591 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC001456867763 1066710139 /nfs/dbraw/zinc/71/01/39/1066710139.db2.gz AOIOBPXQIYBXMF-GFCCVEGCSA-N 0 0 454.474 4.511 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCN(c4cccc(F)c4F)CC3)nnc2C(C)(C)C)s1 ZINC001492632369 1066710446 /nfs/dbraw/zinc/71/04/46/1066710446.db2.gz CSCZUWVCNMYUAF-HNNXBMFYSA-N 0 0 460.598 4.749 20 0 JJADRN Cc1ccc(-n2c(NC(=O)[C@H](C)Oc3cccnc3)nc3cc(Br)ccc32)cc1 ZINC001456869244 1066710508 /nfs/dbraw/zinc/71/05/08/1066710508.db2.gz RYXQDCFPKCFXJY-HNNXBMFYSA-N 0 0 451.324 4.897 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC001446502661 1066711261 /nfs/dbraw/zinc/71/12/61/1066711261.db2.gz WIONEHAZGVTHBE-LOSJGSFVSA-N 0 0 458.533 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001446499351 1066711365 /nfs/dbraw/zinc/71/13/65/1066711365.db2.gz RVSVNMFQGONUCS-HNNXBMFYSA-N 0 0 452.477 4.867 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001446505935 1066711771 /nfs/dbraw/zinc/71/17/71/1066711771.db2.gz HVTDILKGTQZNLT-MRXNPFEDSA-N 0 0 456.974 4.798 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnc(C)s2)s1 ZINC001492632729 1066711922 /nfs/dbraw/zinc/71/19/22/1066711922.db2.gz LFPLYRGGXZJYOA-GFCCVEGCSA-N 0 0 459.670 4.604 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(F)(F)F)s1 ZINC001492632781 1066711938 /nfs/dbraw/zinc/71/19/38/1066711938.db2.gz MTQHWLNYHIAFNM-HIFRSBDPSA-N 0 0 488.580 4.917 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(F)(F)F)s1 ZINC001492632782 1066712018 /nfs/dbraw/zinc/71/20/18/1066712018.db2.gz MTQHWLNYHIAFNM-ZFWWWQNUSA-N 0 0 488.580 4.917 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CCN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492632785 1066712084 /nfs/dbraw/zinc/71/20/84/1066712084.db2.gz MTSQFAWPQONUIN-UHFFFAOYSA-N 0 0 462.664 4.591 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cc(OC)c(OC)cc2Br)c1C ZINC001456877079 1066712165 /nfs/dbraw/zinc/71/21/65/1066712165.db2.gz ATLOUMLHKPTVEV-UHFFFAOYSA-N 0 0 452.345 4.580 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001456876905 1066712259 /nfs/dbraw/zinc/71/22/59/1066712259.db2.gz ZQTIDTOYFFCPAT-LOSJGSFVSA-N 0 0 450.623 4.872 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl)C1CC1 ZINC001446510342 1066712246 /nfs/dbraw/zinc/71/22/46/1066712246.db2.gz SGTRTINKVRKVIT-UHFFFAOYSA-N 0 0 454.958 4.695 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC001446511244 1066712356 /nfs/dbraw/zinc/71/23/56/1066712356.db2.gz FSGYZPFXQYOUKW-HTAPYJJXSA-N 0 0 450.627 4.554 20 0 JJADRN C[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)[C@@H](c2ccco2)C1 ZINC001456877630 1066712696 /nfs/dbraw/zinc/71/26/96/1066712696.db2.gz DEVOCSRXTGVFHY-CRAIPNDOSA-N 0 0 454.386 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001456880733 1066713295 /nfs/dbraw/zinc/71/32/95/1066713295.db2.gz JMKKVIVLQUQSAL-LJQANCHMSA-N 0 0 457.596 4.910 20 0 JJADRN C[C@@H](CNC(=O)CCc1cc(Br)ccc1F)Oc1ccc(Br)cc1 ZINC001456880866 1066713396 /nfs/dbraw/zinc/71/33/96/1066713396.db2.gz RCATYSKCPZNNNN-LBPRGKRZSA-N 0 0 459.153 4.867 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCCO[C@H](C)C2)s1 ZINC001492633261 1066713599 /nfs/dbraw/zinc/71/35/99/1066713599.db2.gz XPIYOAXZLWZRQV-RBUKOAKNSA-N 0 0 455.628 4.658 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)(C)O)CC2)s1 ZINC001492633326 1066713951 /nfs/dbraw/zinc/71/39/51/1066713951.db2.gz AIMZBOLMSNZQSA-UHFFFAOYSA-N 0 0 494.434 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1O2 ZINC001456885540 1066714208 /nfs/dbraw/zinc/71/42/08/1066714208.db2.gz KXSUVCZVJSNVJY-YADARESESA-N 0 0 458.942 4.679 20 0 JJADRN Cc1cc(CCC(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456886231 1066714274 /nfs/dbraw/zinc/71/42/74/1066714274.db2.gz OWZAYXXFBLOPMF-GOSISDBHSA-N 0 0 453.421 4.986 20 0 JJADRN CC(C)[C@@H]1CCc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)sc2C1 ZINC001456886671 1066714343 /nfs/dbraw/zinc/71/43/43/1066714343.db2.gz MLYBNQWHZSRCLQ-MRXNPFEDSA-N 0 0 455.605 4.957 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3CCCc3nnc(C)s3)CC2)s1 ZINC001492633856 1066714974 /nfs/dbraw/zinc/71/49/74/1066714974.db2.gz RCCHCWVLOMRORM-UHFFFAOYSA-N 0 0 459.689 4.808 20 0 JJADRN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001446524062 1066715426 /nfs/dbraw/zinc/71/54/26/1066715426.db2.gz HJDHSDWMYUGVFI-WMZOPIPTSA-N 0 0 458.274 4.556 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)CC2)s1 ZINC001492633680 1066715523 /nfs/dbraw/zinc/71/55/23/1066715523.db2.gz KZGGUHFJQKOIDI-UHFFFAOYSA-N 0 0 482.601 4.708 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492633949 1066716146 /nfs/dbraw/zinc/71/61/46/1066716146.db2.gz VHIBNXCSXXGJOF-UHFFFAOYSA-N 0 0 456.959 4.535 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001492634279 1066716497 /nfs/dbraw/zinc/71/64/97/1066716497.db2.gz IWXMOVAWVLBGRL-UHFFFAOYSA-N 0 0 486.910 4.605 20 0 JJADRN Cc1c(Br)cncc1C(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001446531941 1066716537 /nfs/dbraw/zinc/71/65/37/1066716537.db2.gz FKFFPXSPDWYIAA-XMMPIXPASA-N 0 0 451.364 4.629 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC001456898734 1066716925 /nfs/dbraw/zinc/71/69/25/1066716925.db2.gz UDTXRPLRPJUPDA-UHFFFAOYSA-N 0 0 458.484 4.917 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCn1cccn1 ZINC001492634646 1066717225 /nfs/dbraw/zinc/71/72/25/1066717225.db2.gz UUCJTYCCHSIYRU-UHFFFAOYSA-N 0 0 489.805 4.952 20 0 JJADRN O=C(c1c[nH]c(Br)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446533449 1066717202 /nfs/dbraw/zinc/71/72/02/1066717202.db2.gz ZVDUDPCCJYGRPL-NRFANRHFSA-N 0 0 458.787 4.978 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001492634880 1066717548 /nfs/dbraw/zinc/71/75/48/1066717548.db2.gz ZFHIPFADXBMULZ-LJQANCHMSA-N 0 0 470.017 4.845 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492634899 1066717604 /nfs/dbraw/zinc/71/76/04/1066717604.db2.gz BTHHCGCSFYVMFW-QFIPXVFZSA-N 0 0 487.645 4.861 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)Cc1ccccc1OC ZINC001446535199 1066717610 /nfs/dbraw/zinc/71/76/10/1066717610.db2.gz CECNKVWGLJDZRA-IBGZPJMESA-N 0 0 453.485 4.711 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001456904082 1066717752 /nfs/dbraw/zinc/71/77/52/1066717752.db2.gz GZTYTZHVQQTVJQ-WBVHZDCISA-N 0 0 452.382 4.787 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492634745 1066717772 /nfs/dbraw/zinc/71/77/72/1066717772.db2.gz XFJVUZQPQGLUDE-IBGZPJMESA-N 0 0 471.989 4.960 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001492635078 1066718282 /nfs/dbraw/zinc/71/82/82/1066718282.db2.gz GVXPOVODMRICGT-NRFANRHFSA-N 0 0 471.671 4.696 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 ZINC001492634964 1066718313 /nfs/dbraw/zinc/71/83/13/1066718313.db2.gz CTVFCIBWAYUVSD-FQEVSTJZSA-N 0 0 457.619 4.887 20 0 JJADRN CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 ZINC001446538212 1066718368 /nfs/dbraw/zinc/71/83/68/1066718368.db2.gz PDWWQDXOGJCHBO-NDEPHWFRSA-N 0 0 457.574 4.693 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1Cl ZINC001456907856 1066718350 /nfs/dbraw/zinc/71/83/50/1066718350.db2.gz VYAWIOZJPYLFQE-UHFFFAOYSA-N 0 0 455.319 4.688 20 0 JJADRN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC001446538205 1066718442 /nfs/dbraw/zinc/71/84/42/1066718442.db2.gz PCYANRUDCOMAJU-UHFFFAOYSA-N 0 0 455.964 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCc3c(F)cc(F)cc3C2)(c2ccccc2)CC1 ZINC001446538088 1066718454 /nfs/dbraw/zinc/71/84/54/1066718454.db2.gz ODAUBUVGDIKMOA-UHFFFAOYSA-N 0 0 456.533 4.818 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCSC2)CCO1 ZINC001546085559 1066718561 /nfs/dbraw/zinc/71/85/61/1066718561.db2.gz NOXDNSWWNXMZEL-AUUYWEPGSA-N 0 0 471.490 4.918 20 0 JJADRN Cc1ccc(Br)nc1C(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001446540929 1066718846 /nfs/dbraw/zinc/71/88/46/1066718846.db2.gz WTGFMUKLAMVYBE-DEOSSOPVSA-N 0 0 451.364 4.629 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cccc(Nc3ccccc3)c2)c1 ZINC001446540725 1066718878 /nfs/dbraw/zinc/71/88/78/1066718878.db2.gz FLMKDCOJTCOOGM-UHFFFAOYSA-N 0 0 452.580 4.755 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(C(F)F)c1F ZINC001446542664 1066718982 /nfs/dbraw/zinc/71/89/82/1066718982.db2.gz MPAOTLQBTDLRNX-UHFFFAOYSA-N 0 0 457.518 4.868 20 0 JJADRN CCN(C(=O)CSc1nncn1-c1ccc(OC)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001456910651 1066719037 /nfs/dbraw/zinc/71/90/37/1066719037.db2.gz HOFFDGJLRIGIIN-QFIPXVFZSA-N 0 0 456.587 4.623 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 ZINC001492635910 1066719238 /nfs/dbraw/zinc/71/92/38/1066719238.db2.gz DVHIMRIGKOCOJO-UHFFFAOYSA-N 0 0 492.407 4.514 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3F)c3cnn(C(C)C)c3n2)c(C)s1 ZINC001456910763 1066719630 /nfs/dbraw/zinc/71/96/30/1066719630.db2.gz JYANYESOUSBZJA-UHFFFAOYSA-N 0 0 451.527 4.848 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492636089 1066719858 /nfs/dbraw/zinc/71/98/58/1066719858.db2.gz KVVRPDIKQWKNST-NRFANRHFSA-N 0 0 483.588 4.760 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC001446552116 1066720156 /nfs/dbraw/zinc/72/01/56/1066720156.db2.gz IZGWIMGHAONKJW-GVAUOCQISA-N 0 0 450.579 4.540 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nnc1-c1ccco1 ZINC001446551913 1066720171 /nfs/dbraw/zinc/72/01/71/1066720171.db2.gz HWTUIXFDAXEKPF-PMACEKPBSA-N 0 0 454.596 4.545 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC001456913090 1066720221 /nfs/dbraw/zinc/72/02/21/1066720221.db2.gz IHCNWRZESANQEL-WDEREUQCSA-N 0 0 457.465 4.622 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)c2ccc(F)cc2F)[C@@H]1c1ccccc1OC ZINC001456917509 1066721101 /nfs/dbraw/zinc/72/11/01/1066721101.db2.gz DQLHCOASFXGJTO-ADSMNUKGSA-N 0 0 458.549 4.973 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H]2C(C)C)n1 ZINC001492636459 1066721196 /nfs/dbraw/zinc/72/11/96/1066721196.db2.gz DCQLEXCIADKBQM-UZLBHIALSA-N 0 0 473.668 4.542 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446564550 1066721237 /nfs/dbraw/zinc/72/12/37/1066721237.db2.gz GVHUGKYPSHEIDW-FOIQADDNSA-N 0 0 450.938 4.876 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001446566253 1066721273 /nfs/dbraw/zinc/72/12/73/1066721273.db2.gz LBXMBCLFEDOAEM-MGPUTAFESA-N 0 0 458.580 4.860 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@H]1c1ccccc1OC ZINC001456917511 1066721239 /nfs/dbraw/zinc/72/12/39/1066721239.db2.gz DQLHCOASFXGJTO-FTGWLVSGSA-N 0 0 458.549 4.973 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC001456917073 1066721329 /nfs/dbraw/zinc/72/13/29/1066721329.db2.gz SOQYKUHYAHCKDX-IRXDYDNUSA-N 0 0 450.526 4.918 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492636407 1066721242 /nfs/dbraw/zinc/72/12/42/1066721242.db2.gz CJNGNBYYQSAESK-FPMFFAJLSA-N 0 0 482.473 4.951 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC001545987423 1066721662 /nfs/dbraw/zinc/72/16/62/1066721662.db2.gz SRGJHAGMSDBFBA-NQIIRXRSSA-N 0 0 493.574 4.608 20 0 JJADRN O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CC[C@@H](COCc2ccccc2)C1 ZINC001456919574 1066721742 /nfs/dbraw/zinc/72/17/42/1066721742.db2.gz ZKFLRAJRGIIEFC-GOSISDBHSA-N 0 0 456.468 4.918 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)n1 ZINC001492636897 1066722116 /nfs/dbraw/zinc/72/21/16/1066722116.db2.gz HJBBDZTWRKHJTL-DZGCQCFKSA-N 0 0 493.464 4.912 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001456921436 1066722186 /nfs/dbraw/zinc/72/21/86/1066722186.db2.gz MYDJURSGVLOMTI-UHFFFAOYSA-N 0 0 452.729 4.908 20 0 JJADRN O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC001456921432 1066722229 /nfs/dbraw/zinc/72/22/29/1066722229.db2.gz CWIOFSPJECRDQB-NSHDSACASA-N 0 0 458.253 4.627 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCOC2)n1 ZINC001492637046 1066722655 /nfs/dbraw/zinc/72/26/55/1066722655.db2.gz KABOBWDUGVRKNE-AAEUAGOBSA-N 0 0 468.446 4.563 20 0 JJADRN CO[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(Cl)cc1 ZINC001456923035 1066722906 /nfs/dbraw/zinc/72/29/06/1066722906.db2.gz RCUVMMFHSFIIBI-KRWDZBQOSA-N 0 0 452.711 4.545 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492637162 1066722983 /nfs/dbraw/zinc/72/29/83/1066722983.db2.gz LWCFMCVPIAOVQG-HNNXBMFYSA-N 0 0 499.040 4.968 20 0 JJADRN C[C@H](CNC(=O)CCCCc1ccc(I)cc1)Oc1ccc(F)cc1 ZINC001456924709 1066723532 /nfs/dbraw/zinc/72/35/32/1066723532.db2.gz SKVQEYZTEIMHAN-OAHLLOKOSA-N 0 0 455.311 4.727 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)n1 ZINC001492637411 1066723490 /nfs/dbraw/zinc/72/34/90/1066723490.db2.gz QTDZTXIBBGZRET-WIYYLYMNSA-N 0 0 479.654 4.936 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456925971 1066723927 /nfs/dbraw/zinc/72/39/27/1066723927.db2.gz UXUDELWRNZPFMT-BUTRMIIQSA-N 0 0 452.904 4.975 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(C)n(C2CCOCC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456927300 1066723938 /nfs/dbraw/zinc/72/39/38/1066723938.db2.gz BJJIPHSACIKZHZ-HXUWFJFHSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2cnccn2)n1 ZINC001492637623 1066724056 /nfs/dbraw/zinc/72/40/56/1066724056.db2.gz VWXOAMQHBWBIEK-CQSZACIVSA-N 0 0 471.993 4.775 20 0 JJADRN C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](c2ccccc2)CO1 ZINC001456930079 1066724435 /nfs/dbraw/zinc/72/44/35/1066724435.db2.gz AIJRSNNWTCIELM-SCLBCKFNSA-N 0 0 453.174 4.743 20 0 JJADRN C[C@@](CO)(NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 ZINC001456928551 1066724465 /nfs/dbraw/zinc/72/44/65/1066724465.db2.gz OKXPQPLPAMFUDT-IBGZPJMESA-N 0 0 453.789 4.669 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545987547 1066724499 /nfs/dbraw/zinc/72/44/99/1066724499.db2.gz ULGDDUMEHLGXJP-KCZVDYSFSA-N 0 0 487.620 4.608 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001545987595 1066724521 /nfs/dbraw/zinc/72/45/21/1066724521.db2.gz UWPAAWHSJWXCOM-ZWKOTPCHSA-N 0 0 498.521 4.517 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC001446588801 1066724569 /nfs/dbraw/zinc/72/45/69/1066724569.db2.gz UULKMNRLXXCDPI-INIZCTEOSA-N 0 0 454.543 4.977 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC001456933071 1066724894 /nfs/dbraw/zinc/72/48/94/1066724894.db2.gz SMNHWVSOTRYHGV-FXAWDEMLSA-N 0 0 456.384 4.707 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(CC1CC1)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545987678 1066725199 /nfs/dbraw/zinc/72/51/99/1066725199.db2.gz VNYKGHQNQCJOEF-LEWJYISDSA-N 0 0 461.651 4.840 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)c(F)c1)OC ZINC001545987687 1066725544 /nfs/dbraw/zinc/72/55/44/1066725544.db2.gz VOGLZAIDGDHNSJ-OALUTQOASA-N 0 0 493.599 4.732 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545987707 1066725564 /nfs/dbraw/zinc/72/55/64/1066725564.db2.gz VVVVPRLYBGLZIJ-REWPJTCUSA-N 0 0 460.594 4.769 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(CC1CC1)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545987680 1066725635 /nfs/dbraw/zinc/72/56/35/1066725635.db2.gz VNYKGHQNQCJOEF-RTWAWAEBSA-N 0 0 461.651 4.840 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOC[C@@H]2C)n1 ZINC001492638226 1066726080 /nfs/dbraw/zinc/72/60/80/1066726080.db2.gz DARHHNWKRQTEHK-HIFRSBDPSA-N 0 0 462.417 4.501 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC001446619207 1066726096 /nfs/dbraw/zinc/72/60/96/1066726096.db2.gz SWENMGUZQLXRRN-REIDKSKDSA-N 0 0 456.608 4.614 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)n1 ZINC001492638236 1066726111 /nfs/dbraw/zinc/72/61/11/1066726111.db2.gz FDJNKRGJLFOWLA-AWEZNQCLSA-N 0 0 472.615 4.966 20 0 JJADRN CCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1csc(CC)n1 ZINC001546990831 1066726194 /nfs/dbraw/zinc/72/61/94/1066726194.db2.gz MFEATJCMIHLLQY-UHFFFAOYSA-N 0 0 451.438 4.544 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cc(Br)ccc1F ZINC001456939700 1066726402 /nfs/dbraw/zinc/72/64/02/1066726402.db2.gz ZKNDZPYKSYOLEH-KBXCAEBGSA-N 0 0 457.384 4.815 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CC(=O)N(C)C)c1ccccc1 ZINC001456938253 1066726472 /nfs/dbraw/zinc/72/64/72/1066726472.db2.gz LRYZMRDOYIXMRC-MRXNPFEDSA-N 0 0 457.983 4.738 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)n1 ZINC001492638622 1066726488 /nfs/dbraw/zinc/72/64/88/1066726488.db2.gz IWSSNWLPZDBDEJ-LAUBAEHRSA-N 0 0 490.073 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)Cc1ccccc1 ZINC001446622849 1066726535 /nfs/dbraw/zinc/72/65/35/1066726535.db2.gz RVSCVEVHEDBAEQ-VQTJNVASSA-N 0 0 458.986 4.846 20 0 JJADRN CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cnn1Cc1ccccc1 ZINC001446627179 1066726600 /nfs/dbraw/zinc/72/66/00/1066726600.db2.gz FZFOQDFUURPVMI-UHFFFAOYSA-N 0 0 456.512 4.865 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001446619870 1066726647 /nfs/dbraw/zinc/72/66/47/1066726647.db2.gz VIMBOTNVKRPSDC-SJLPKXTDSA-N 0 0 450.339 4.816 20 0 JJADRN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456940393 1066726548 /nfs/dbraw/zinc/72/65/48/1066726548.db2.gz YEEVNJGVNUZADH-CZIWCDLHSA-N 0 0 458.440 4.845 20 0 JJADRN C/C(=C/C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1cccc(Cl)c1 ZINC001446623055 1066726690 /nfs/dbraw/zinc/72/66/90/1066726690.db2.gz TWTGASKWYFNNSM-PTNGSMBKSA-N 0 0 451.767 4.989 20 0 JJADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCCn1c2ccccc2c2ccccc21 ZINC001446632460 1066727033 /nfs/dbraw/zinc/72/70/33/1066727033.db2.gz NTLUZBDWDFXVRO-HSZRJFAPSA-N 0 0 459.615 4.771 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492638641 1066727100 /nfs/dbraw/zinc/72/71/00/1066727100.db2.gz JBOMLSGJBZZZTQ-DOTOQJQBSA-N 0 0 496.578 4.649 20 0 JJADRN COc1ccc([C@@H](CC(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)NC(C)=O)cc1 ZINC001456946916 1066727657 /nfs/dbraw/zinc/72/76/57/1066727657.db2.gz ZVUGFHKTKPUMBP-HSZRJFAPSA-N 0 0 456.546 4.857 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1)NC(=O)OC(C)(C)C ZINC001545987883 1066727620 /nfs/dbraw/zinc/72/76/20/1066727620.db2.gz YDODXDCKKBWSJR-OAQYLSRUSA-N 0 0 498.672 4.574 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC=C(C(F)(F)F)CC2)n1 ZINC001492638818 1066727685 /nfs/dbraw/zinc/72/76/85/1066727685.db2.gz KAHNTNKWYCFILX-ZDUSSCGKSA-N 0 0 496.584 4.537 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)n1 ZINC001492638756 1066727707 /nfs/dbraw/zinc/72/77/07/1066727707.db2.gz IXOMDXHSZBOHIC-TZIWHRDSSA-N 0 0 469.655 4.954 20 0 JJADRN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc3cccc(C)c3C)cc1)CCC2 ZINC001446640260 1066727775 /nfs/dbraw/zinc/72/77/75/1066727775.db2.gz GZRJKSSCDIFTNF-NRFANRHFSA-N 0 0 455.605 4.677 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546085743 1066728097 /nfs/dbraw/zinc/72/80/97/1066728097.db2.gz RJZZJCQKMBFDCU-DEOSSOPVSA-N 0 0 457.022 4.813 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492639247 1066728204 /nfs/dbraw/zinc/72/82/04/1066728204.db2.gz MTRGZVQEVVOSLC-WMZOPIPTSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001446645315 1066728222 /nfs/dbraw/zinc/72/82/22/1066728222.db2.gz VATRLRCFYLGMFM-QHCPKHFHSA-N 0 0 452.341 4.918 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1 ZINC001456948686 1066728341 /nfs/dbraw/zinc/72/83/41/1066728341.db2.gz DTCCFGYYQNUIOF-UHFFFAOYSA-N 0 0 452.982 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3c2OCCC3=O)(c2ccccc2)CC1 ZINC001446644188 1066728382 /nfs/dbraw/zinc/72/83/82/1066728382.db2.gz MWRPFOBIGGUJFK-UHFFFAOYSA-N 0 0 450.535 4.559 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)Oc1ccccc1F ZINC001545987920 1066728743 /nfs/dbraw/zinc/72/87/43/1066728743.db2.gz YRGGLBLMYNEXFH-WMZHIEFXSA-N 0 0 470.593 4.503 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1OC ZINC001446649299 1066728847 /nfs/dbraw/zinc/72/88/47/1066728847.db2.gz AULXKRJWAJMGMI-QILLFSRXSA-N 0 0 452.979 4.513 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001456950919 1066728841 /nfs/dbraw/zinc/72/88/41/1066728841.db2.gz KAXWJTRTBPQZML-IBGZPJMESA-N 0 0 458.549 4.885 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)Cc3cccs3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492639669 1066729115 /nfs/dbraw/zinc/72/91/15/1066729115.db2.gz RYCFXYXSKPGJGR-ZHRRBRCNSA-N 0 0 461.657 4.585 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@@H](C)Oc2ccccc2C)ccc1OCc1c(C)noc1C ZINC001456956475 1066729125 /nfs/dbraw/zinc/72/91/25/1066729125.db2.gz FMBJUIDLBDXWLE-FWFZHJKVSA-N 0 0 450.535 4.784 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cccc(N2CCOC2=O)c1C ZINC001456956721 1066729141 /nfs/dbraw/zinc/72/91/41/1066729141.db2.gz XYWLCDFZWZRKTF-UHFFFAOYSA-N 0 0 452.942 4.897 20 0 JJADRN COc1cc(/C=C/C(=O)NC[C@H](C)Oc2ccccc2C)ccc1OCc1c(C)noc1C ZINC001456956497 1066729310 /nfs/dbraw/zinc/72/93/10/1066729310.db2.gz FMBJUIDLBDXWLE-YLZCUGDYSA-N 0 0 450.535 4.784 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001492639650 1066729216 /nfs/dbraw/zinc/72/92/16/1066729216.db2.gz QBDOLTGRSXQCMG-NVXWUHKLSA-N 0 0 460.648 4.560 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCCC[C@H]1c1ncon1 ZINC001446653067 1066729131 /nfs/dbraw/zinc/72/91/31/1066729131.db2.gz ZACAUKFVGYDPMY-INIZCTEOSA-N 0 0 453.852 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC(OCC3CC3)CC2)CC1 ZINC001456961357 1066730228 /nfs/dbraw/zinc/73/02/28/1066730228.db2.gz OKNULBINBZOJJH-UHFFFAOYSA-N 0 0 456.627 4.907 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cnc1Br)c1nc(C2CCCCC2)no1 ZINC001456963631 1066730658 /nfs/dbraw/zinc/73/06/58/1066730658.db2.gz QTOWNSHNCWOAJK-SECBINFHSA-N 0 0 458.154 4.528 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492640118 1066730824 /nfs/dbraw/zinc/73/08/24/1066730824.db2.gz UHJSPWNYGDUHSH-ZBFHGGJFSA-N 0 0 476.444 4.891 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccco2)n1 ZINC001492640281 1066730833 /nfs/dbraw/zinc/73/08/33/1066730833.db2.gz YNYZTEMEOCNJTE-HOCLYGCPSA-N 0 0 470.624 4.629 20 0 JJADRN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC001446682006 1066730730 /nfs/dbraw/zinc/73/07/30/1066730730.db2.gz QKSQNSNNRQGRFH-LJQANCHMSA-N 0 0 450.551 4.561 20 0 JJADRN C[C@H](NC(=O)c1cnc(Br)c(Br)c1)c1nc(C2CCCCC2)no1 ZINC001456963799 1066730766 /nfs/dbraw/zinc/73/07/66/1066730766.db2.gz SAENUZQLGMLYBL-VIFPVBQESA-N 0 0 458.154 4.528 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc1 ZINC001456963612 1066730775 /nfs/dbraw/zinc/73/07/75/1066730775.db2.gz GXQVFSMNHBHWHX-TZIWHRDSSA-N 0 0 456.587 4.558 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC001446666232 1066730862 /nfs/dbraw/zinc/73/08/62/1066730862.db2.gz KJNNELZJJYDLRG-UHFFFAOYSA-N 0 0 451.396 4.980 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)n1 ZINC001492640357 1066731213 /nfs/dbraw/zinc/73/12/13/1066731213.db2.gz WIXQMIYIHCFNSR-GOSISDBHSA-N 0 0 474.675 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC001446695875 1066731222 /nfs/dbraw/zinc/73/12/22/1066731222.db2.gz BCXRDWQIVDGDDL-OAQYLSRUSA-N 0 0 450.377 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC001446695868 1066731239 /nfs/dbraw/zinc/73/12/39/1066731239.db2.gz BCXRDWQIVDGDDL-NRFANRHFSA-N 0 0 450.377 4.697 20 0 JJADRN CNC(=O)c1cncc(/C=C\C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)c1 ZINC001456964434 1066731284 /nfs/dbraw/zinc/73/12/84/1066731284.db2.gz JKIHUKDQORWGQJ-HJWRWDBZSA-N 0 0 456.420 4.658 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(C)C)n1 ZINC001492640496 1066731647 /nfs/dbraw/zinc/73/16/47/1066731647.db2.gz XMBUZFWUJUVBKF-OAHLLOKOSA-N 0 0 451.600 4.645 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(F)c(I)c2)cc1 ZINC001456966331 1066731794 /nfs/dbraw/zinc/73/17/94/1066731794.db2.gz RASBXPWWVRTZKL-APWZRJJASA-N 0 0 453.295 4.636 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC001492640536 1066731681 /nfs/dbraw/zinc/73/16/81/1066731681.db2.gz YDEUNHHSYWTRFW-LURPTGHASA-N 0 0 482.679 4.787 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492640520 1066731688 /nfs/dbraw/zinc/73/16/88/1066731688.db2.gz XXEQGRIMBGINAR-QRQLOZEOSA-N 0 0 490.674 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC([C@@H]3CCOC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446697529 1066731901 /nfs/dbraw/zinc/73/19/01/1066731901.db2.gz LSTWTFWMYSBVTJ-FCEUIQTBSA-N 0 0 463.018 4.566 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001456967335 1066732260 /nfs/dbraw/zinc/73/22/60/1066732260.db2.gz DRNPRHCNMRARKM-UUOWRZLLSA-N 0 0 450.023 4.771 20 0 JJADRN COc1ccc([C@H](NC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 ZINC001446703518 1066732317 /nfs/dbraw/zinc/73/23/17/1066732317.db2.gz XBSNUQKLJLUANK-ABAIWWIYSA-N 0 0 459.490 4.771 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccccc4C)n3CCSC(F)(F)F)CCO2)n1 ZINC001492640764 1066732731 /nfs/dbraw/zinc/73/27/31/1066732731.db2.gz CYCMWTMPWRIEJG-QGZVFWFLSA-N 0 0 483.585 4.773 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC3CC(OC(C)(C)C)C3)CCO2)n1 ZINC001492640741 1066732752 /nfs/dbraw/zinc/73/27/52/1066732752.db2.gz BYUYIALQQFOCPK-ACBHZAAOSA-N 0 0 461.676 4.902 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)c2)c1 ZINC001456972363 1066732776 /nfs/dbraw/zinc/73/27/76/1066732776.db2.gz VPIPWFZOBQIGEM-OAQYLSRUSA-N 0 0 454.979 4.655 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C(=O)N1c1ccccc1 ZINC001456971795 1066732849 /nfs/dbraw/zinc/73/28/49/1066732849.db2.gz GTRMYMYRKNKOTF-XARZLDAJSA-N 0 0 452.913 4.909 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@@H](CO)c3c(F)cccc3F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001446706433 1066733111 /nfs/dbraw/zinc/73/31/11/1066733111.db2.gz LAASJIPPFFAZRT-NRFANRHFSA-N 0 0 454.477 4.631 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C(=O)N1c1ccccc1 ZINC001456977231 1066733944 /nfs/dbraw/zinc/73/39/44/1066733944.db2.gz PICGOGZKQSOAGT-KUHUBIRLSA-N 0 0 453.951 4.578 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1c(C)c(Br)ccc1C(=O)OC ZINC001456976879 1066734021 /nfs/dbraw/zinc/73/40/21/1066734021.db2.gz MQWYGFHQOPVABV-LBPRGKRZSA-N 0 0 459.344 4.821 20 0 JJADRN CCCc1ncc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)s1 ZINC001446717628 1066734120 /nfs/dbraw/zinc/73/41/20/1066734120.db2.gz YDHQTPFBEDRMMF-UHFFFAOYSA-N 0 0 451.957 4.508 20 0 JJADRN Cn1ccc2ccc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3O)cc21 ZINC001446716574 1066734260 /nfs/dbraw/zinc/73/42/60/1066734260.db2.gz VLHFNVBVSQQFTG-UHFFFAOYSA-N 0 0 455.923 4.590 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492641488 1066734220 /nfs/dbraw/zinc/73/42/20/1066734220.db2.gz GQOBULCOCSLVDU-KRWDZBQOSA-N 0 0 462.664 4.639 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCN(C)c3ccccc3)CCO2)n1 ZINC001492641665 1066734967 /nfs/dbraw/zinc/73/49/67/1066734967.db2.gz NNGZBOFPFVDQOM-OAQYLSRUSA-N 0 0 468.671 4.736 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546085911 1066734890 /nfs/dbraw/zinc/73/48/90/1066734890.db2.gz VGFKOMPIUWTJPO-LOSJGSFVSA-N 0 0 478.584 4.883 20 0 JJADRN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001456980902 1066734997 /nfs/dbraw/zinc/73/49/97/1066734997.db2.gz OXITXDGQSCIQCX-YJBOKZPZSA-N 0 0 459.414 4.656 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NCCCNc1cccc(F)c1 ZINC001446747061 1066735749 /nfs/dbraw/zinc/73/57/49/1066735749.db2.gz BGWXEZJRCMJZCV-OAQYLSRUSA-N 0 0 455.530 4.626 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)NCCSCc1ccnc(Cl)c1 ZINC001446750612 1066735769 /nfs/dbraw/zinc/73/57/69/1066735769.db2.gz UIYCGWCENLLFSA-UHFFFAOYSA-N 0 0 450.185 4.823 20 0 JJADRN Cc1cc(C(=O)NCCSCc2ccnc(Cl)c2)c2cnn(Cc3cccs3)c2n1 ZINC001446747320 1066735909 /nfs/dbraw/zinc/73/59/09/1066735909.db2.gz NEOFDCKGWUWOEV-UHFFFAOYSA-N 0 0 458.012 4.561 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)c(F)c3F)CCO2)n1 ZINC001492642185 1066735892 /nfs/dbraw/zinc/73/58/92/1066735892.db2.gz SNGIXQDVYAQTEU-QGZVFWFLSA-N 0 0 479.572 4.870 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)n1 ZINC001492642310 1066735989 /nfs/dbraw/zinc/73/59/89/1066735989.db2.gz NPANDJKRCGKHDX-IBGZPJMESA-N 0 0 474.675 4.684 20 0 JJADRN O=C(Nc1ccc(F)cc1Nc1ccccc1F)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001446756196 1066736384 /nfs/dbraw/zinc/73/63/84/1066736384.db2.gz IOSXBNCSJKMCGY-KRWDZBQOSA-N 0 0 453.464 4.877 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001446758411 1066736400 /nfs/dbraw/zinc/73/64/00/1066736400.db2.gz MDTOTCNXPLABIN-HMXCVIKNSA-N 0 0 454.533 4.719 20 0 JJADRN Cc1cc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cnc1Br ZINC001446755958 1066736449 /nfs/dbraw/zinc/73/64/49/1066736449.db2.gz HVOSLUWDJNWMJE-UHFFFAOYSA-N 0 0 450.695 4.847 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCSCC(C)C)CCO2)n1 ZINC001492642421 1066736351 /nfs/dbraw/zinc/73/63/51/1066736351.db2.gz VSUQFICCVCMVFO-SFHVURJKSA-N 0 0 451.706 4.989 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCCC(F)(F)F)C2)n1 ZINC001492642372 1066736427 /nfs/dbraw/zinc/73/64/27/1066736427.db2.gz OLWWHZRKQVHOEV-DYESRHJHSA-N 0 0 487.592 4.810 20 0 JJADRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC001446754754 1066736486 /nfs/dbraw/zinc/73/64/86/1066736486.db2.gz OSGJPNXGRSDMKR-NRFANRHFSA-N 0 0 455.624 4.728 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NC[C@@H]1CCC=CCCC1 ZINC001456988012 1066736501 /nfs/dbraw/zinc/73/65/01/1066736501.db2.gz ASBMAKDNSRZFHF-NQIIRXRSSA-N 0 0 458.603 4.608 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1I)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001456987091 1066736506 /nfs/dbraw/zinc/73/65/06/1066736506.db2.gz SMWAFSXCWQZCFU-AHIWAGSCSA-N 0 0 476.141 4.551 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCOC(C)C)C2)n1 ZINC001492642672 1066736831 /nfs/dbraw/zinc/73/68/31/1066736831.db2.gz RUOPICYEEYXRRW-HXUWFJFHSA-N 0 0 457.619 4.972 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccco1)OC ZINC001545989065 1066736841 /nfs/dbraw/zinc/73/68/41/1066736841.db2.gz AGARRSIXRILPQX-PKOBYXMFSA-N 0 0 461.607 4.608 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC001492642920 1066737391 /nfs/dbraw/zinc/73/73/91/1066737391.db2.gz VRQJYLZDNZFRNN-HXUWFJFHSA-N 0 0 466.655 4.881 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C)n3CCc3cccc(NC(=O)OC(C)(C)C)c3)CCO2)n1 ZINC001492642635 1066737433 /nfs/dbraw/zinc/73/74/33/1066737433.db2.gz YBKXYJZVJDJNIH-FQEVSTJZSA-N 0 0 484.626 4.519 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001456992988 1066737447 /nfs/dbraw/zinc/73/74/47/1066737447.db2.gz WKSYODXIQBMSCO-FDDCHVKYSA-N 0 0 451.636 4.618 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)F)c1ccccc1 ZINC001545989138 1066737481 /nfs/dbraw/zinc/73/74/81/1066737481.db2.gz AZUQMTDDUBNUOL-IBGZPJMESA-N 0 0 469.584 4.737 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(Cl)=C(Cl)C1)OC ZINC001545989300 1066737508 /nfs/dbraw/zinc/73/75/08/1066737508.db2.gz DLZSJMBNAFNXKR-INIZCTEOSA-N 0 0 488.460 4.717 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC(C)C)CCO1 ZINC001546086028 1066737967 /nfs/dbraw/zinc/73/79/67/1066737967.db2.gz XKEXMLSVVNEGCQ-OAQYLSRUSA-N 0 0 469.399 4.667 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545989459 1066738049 /nfs/dbraw/zinc/73/80/49/1066738049.db2.gz GLPARGJRHQTRQC-LSWJPFSZSA-N 0 0 474.621 4.953 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc(OCC(F)F)ccn1)CCO2 ZINC001456995609 1066738138 /nfs/dbraw/zinc/73/81/38/1066738138.db2.gz ZSSRRORODTXNKJ-QFIPXVFZSA-N 0 0 454.473 4.900 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(=O)N(C)Cc3ccccc3)C2)n1 ZINC001492643071 1066738175 /nfs/dbraw/zinc/73/81/75/1066738175.db2.gz YKVVETSUKWVSCS-NRFANRHFSA-N 0 0 480.682 4.674 20 0 JJADRN Cc1csc(CCCCn2c(N(C)C[C@@H]3COc4ccccc4O3)nnc2C(C)(C)C)n1 ZINC001492643293 1066738782 /nfs/dbraw/zinc/73/87/82/1066738782.db2.gz DQZMHLPRMGBRKH-GOSISDBHSA-N 0 0 455.628 4.640 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCCC(C)(C)COC)CCO1 ZINC001546086105 1066739111 /nfs/dbraw/zinc/73/91/11/1066739111.db2.gz YXQWVFOVEACVMX-JOCHJYFZSA-N 0 0 482.467 4.504 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c1 ZINC001446786877 1066739117 /nfs/dbraw/zinc/73/91/17/1066739117.db2.gz OYAAUKFOCOZJLI-OHSXHVKISA-N 0 0 457.574 4.861 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC001456999502 1066739180 /nfs/dbraw/zinc/73/91/80/1066739180.db2.gz JMXDATAVRMHJOZ-IBGZPJMESA-N 0 0 454.390 4.608 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2cccn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446788394 1066739533 /nfs/dbraw/zinc/73/95/33/1066739533.db2.gz XOZXCQBAPFLCLN-ZJSXRUAMSA-N 0 0 453.945 4.809 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c2ccccc2O1 ZINC001457005980 1066739589 /nfs/dbraw/zinc/73/95/89/1066739589.db2.gz TXDYBGBDOIBXGY-OAQYLSRUSA-N 0 0 450.560 4.638 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2)cc1 ZINC001446789129 1066739559 /nfs/dbraw/zinc/73/95/59/1066739559.db2.gz RRFCYCVCPBSSIT-RPWUZVMVSA-N 0 0 451.611 4.558 20 0 JJADRN O=C(NC[C@H]1CCC=CCCC1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001457004574 1066739656 /nfs/dbraw/zinc/73/96/56/1066739656.db2.gz OEFVEDMBODNPCR-JXFKEZNVSA-N 0 0 451.380 4.836 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001457006961 1066740116 /nfs/dbraw/zinc/74/01/16/1066740116.db2.gz FWKPHQAOXPRXFM-UHFFFAOYSA-N 0 0 457.939 4.564 20 0 JJADRN C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccc1C(F)(F)F ZINC001457007719 1066740173 /nfs/dbraw/zinc/74/01/73/1066740173.db2.gz HMBXFPPRCPUQNH-MRXNPFEDSA-N 0 0 451.448 4.955 20 0 JJADRN O=C([C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001446791124 1066740485 /nfs/dbraw/zinc/74/04/85/1066740485.db2.gz GSBCDONQJGNZLE-DEOSSOPVSA-N 0 0 454.977 4.741 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)n1 ZINC001492643935 1066740528 /nfs/dbraw/zinc/74/05/28/1066740528.db2.gz DUQVPJFAXCDOQZ-SFHVURJKSA-N 0 0 478.588 4.806 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2Cl)c(OC)c1 ZINC001457009449 1066741109 /nfs/dbraw/zinc/74/11/09/1066741109.db2.gz BCWMHMFSXZKZDN-OWJWWREXSA-N 0 0 455.986 4.792 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3C)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001492644151 1066741039 /nfs/dbraw/zinc/74/10/39/1066741039.db2.gz HMSGNAZISGQNPP-UHFFFAOYSA-N 0 0 466.655 4.523 20 0 JJADRN Cc1csc(CCCCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(C)(C)C)n1 ZINC001492644086 1066741149 /nfs/dbraw/zinc/74/11/49/1066741149.db2.gz XGPSSERIJIWDCD-UHFFFAOYSA-N 0 0 482.702 4.722 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnccn3)nnc2N(C)Cc2c(F)cccc2Cl)n1 ZINC001492644089 1066741161 /nfs/dbraw/zinc/74/11/61/1066741161.db2.gz XLKJWJKMCAHTDU-UHFFFAOYSA-N 0 0 471.993 4.952 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC001446797934 1066741123 /nfs/dbraw/zinc/74/11/23/1066741123.db2.gz SVTMUMKVPUXBGS-SFHVURJKSA-N 0 0 457.537 4.826 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2cccc(F)c2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545989590 1066741691 /nfs/dbraw/zinc/74/16/91/1066741691.db2.gz IEKQADFLKVOOCP-YSIASYRMSA-N 0 0 487.620 4.738 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2cccc(F)c2[C@H]1C)NC(=O)OC(C)(C)C ZINC001545989591 1066741850 /nfs/dbraw/zinc/74/18/50/1066741850.db2.gz IEKQADFLKVOOCP-YZGWKJHDSA-N 0 0 487.620 4.738 20 0 JJADRN Cc1cc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cnc1N1CCCC[C@@H]1C ZINC001446804176 1066742272 /nfs/dbraw/zinc/74/22/72/1066742272.db2.gz XEVAFEACXHCTON-WEKPXBEKSA-N 0 0 455.562 4.573 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOCC(C)C)CCO2)n1 ZINC001492644378 1066742244 /nfs/dbraw/zinc/74/22/44/1066742244.db2.gz LYMPXVSCOMMRFH-QHAWAJNXSA-N 0 0 491.702 4.602 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1 ZINC001492644346 1066742305 /nfs/dbraw/zinc/74/23/05/1066742305.db2.gz KXJWOOLGTOXSKF-OAQYLSRUSA-N 0 0 480.682 4.836 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457013122 1066742369 /nfs/dbraw/zinc/74/23/69/1066742369.db2.gz IUFUCIUTFHIXEG-IDNYDCHQSA-N 0 0 479.598 4.507 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492644512 1066742868 /nfs/dbraw/zinc/74/28/68/1066742868.db2.gz QHCJCUPVVPKNEE-GOSISDBHSA-N 0 0 462.664 4.683 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc(Br)c1O ZINC001446806124 1066742861 /nfs/dbraw/zinc/74/28/61/1066742861.db2.gz MYKCHPJXTHFDKK-OUOZUETKSA-N 0 0 452.732 4.860 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc(Br)c1O ZINC001446806136 1066742919 /nfs/dbraw/zinc/74/29/19/1066742919.db2.gz MYKCHPJXTHFDKK-RRGWEWPQSA-N 0 0 452.732 4.860 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nn2c1nc(C)cc2C ZINC001446806451 1066742944 /nfs/dbraw/zinc/74/29/44/1066742944.db2.gz DMXJHDXVEXBCJX-HXUWFJFHSA-N 0 0 459.516 4.804 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001457014847 1066743310 /nfs/dbraw/zinc/74/33/10/1066743310.db2.gz RFALYBBOTCFRIJ-UHFFFAOYSA-N 0 0 457.452 4.719 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cn(C)nc1-c1ccncc1 ZINC001446811267 1066743308 /nfs/dbraw/zinc/74/33/08/1066743308.db2.gz OEIWTWRIBZXXNH-FQEVSTJZSA-N 0 0 457.500 4.632 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccccc1Nc1ccc(C(C)=O)cc1)CCS2 ZINC001457014648 1066743438 /nfs/dbraw/zinc/74/34/38/1066743438.db2.gz SJNZCTOOTOKLJU-PSWPWZSKSA-N 0 0 452.576 4.580 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001446809791 1066743512 /nfs/dbraw/zinc/74/35/12/1066743512.db2.gz LAPAFYLSAKWLLW-LJQANCHMSA-N 0 0 457.537 4.828 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CNC(=O)CCC1CCCC1 ZINC001446812662 1066743764 /nfs/dbraw/zinc/74/37/64/1066743764.db2.gz QGGMMWIRQZWESG-NRFANRHFSA-N 0 0 453.549 4.609 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)c1 ZINC001492644836 1066743835 /nfs/dbraw/zinc/74/38/35/1066743835.db2.gz BUZZIBMJEVHLTO-FQEVSTJZSA-N 0 0 488.057 4.827 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CNC(=O)CCC1CCCC1 ZINC001446812663 1066743893 /nfs/dbraw/zinc/74/38/93/1066743893.db2.gz QGGMMWIRQZWESG-OAQYLSRUSA-N 0 0 453.549 4.609 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc2c(c1)ncnc2NC ZINC001446814364 1066744072 /nfs/dbraw/zinc/74/40/72/1066744072.db2.gz SZHZVORVWNFZNP-IBGZPJMESA-N 0 0 457.500 4.821 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001492644976 1066744390 /nfs/dbraw/zinc/74/43/90/1066744390.db2.gz HCMFOFIGVNSTSJ-HZPDHXFCSA-N 0 0 455.550 4.814 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446817579 1066744378 /nfs/dbraw/zinc/74/43/78/1066744378.db2.gz ZEJXGOVJZZANHW-ZHRRBRCNSA-N 0 0 456.464 4.738 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3nc4cc(Br)ccc4[nH]3)CC2=O)cc1 ZINC001457020241 1066744892 /nfs/dbraw/zinc/74/48/92/1066744892.db2.gz RLXNVODBYRADFO-OAHLLOKOSA-N 0 0 455.356 4.660 20 0 JJADRN Cc1csc(CCCCn2c(N3CCS[C@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492645120 1066745006 /nfs/dbraw/zinc/74/50/06/1066745006.db2.gz LHOTULVSVOJCIF-RDPSFJRHSA-N 0 0 493.743 4.684 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001446827644 1066745557 /nfs/dbraw/zinc/74/55/57/1066745557.db2.gz RWFKTQSESOMZOL-OSPHWJPCSA-N 0 0 456.558 4.554 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](F)c2ccc(Br)cc2)c1 ZINC001492645464 1066746022 /nfs/dbraw/zinc/74/60/22/1066746022.db2.gz WVNVEDQQNKOIDM-SFHVURJKSA-N 0 0 494.434 4.896 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)n1 ZINC001492645428 1066746065 /nfs/dbraw/zinc/74/60/65/1066746065.db2.gz VXRXVODPOWSJBB-GOSISDBHSA-N 0 0 476.691 4.857 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001492645381 1066746089 /nfs/dbraw/zinc/74/60/89/1066746089.db2.gz UDAPNUFHLCTXEM-RLSLOFABSA-N 0 0 470.639 4.581 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(C)COCCO2)c1 ZINC001492645609 1066746496 /nfs/dbraw/zinc/74/64/96/1066746496.db2.gz BZNGSFMQIUMPDF-QFIPXVFZSA-N 0 0 491.455 4.828 20 0 JJADRN COCc1c(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cnn1-c1ccccc1 ZINC001457024127 1066746551 /nfs/dbraw/zinc/74/65/51/1066746551.db2.gz YDVWCAHYQDQNQE-QGZVFWFLSA-N 0 0 450.539 4.857 20 0 JJADRN CCn1c2ccccc2n(CC(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)c1=O ZINC001457025432 1066747107 /nfs/dbraw/zinc/74/71/07/1066747107.db2.gz HKZGCKQYZYJWFK-XMMPIXPASA-N 0 0 451.929 4.830 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CC12CCC2 ZINC001446846414 1066747292 /nfs/dbraw/zinc/74/72/92/1066747292.db2.gz NQRCFLWVFMQRTH-GFCCVEGCSA-N 0 0 457.294 4.701 20 0 JJADRN Nc1cc(Br)cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1N ZINC001446846591 1066747327 /nfs/dbraw/zinc/74/73/27/1066747327.db2.gz PMLGSGQCYNWGGJ-CYBMUJFWSA-N 0 0 456.184 4.666 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)cc1 ZINC001446843577 1066747355 /nfs/dbraw/zinc/74/73/55/1066747355.db2.gz CMONZWRCNBNTFT-UHFFFAOYSA-N 0 0 454.354 4.731 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(-c3csc(C)n3)s2)ccn1 ZINC001457026496 1066747497 /nfs/dbraw/zinc/74/74/97/1066747497.db2.gz FDVKYKYYWZUXGG-UHFFFAOYSA-N 0 0 450.545 4.979 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCc2cn[nH]c2)c1 ZINC001492645798 1066747536 /nfs/dbraw/zinc/74/75/36/1066747536.db2.gz JKZBMUONPYUZKD-UHFFFAOYSA-N 0 0 475.391 4.819 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001457028834 1066747925 /nfs/dbraw/zinc/74/79/25/1066747925.db2.gz PFNNMDUKAPZNLJ-HNNXBMFYSA-N 0 0 459.340 4.629 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457027158 1066747940 /nfs/dbraw/zinc/74/79/40/1066747940.db2.gz LRYKEEXTHPWXAG-MRXNPFEDSA-N 0 0 452.904 4.751 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC001457028309 1066748065 /nfs/dbraw/zinc/74/80/65/1066748065.db2.gz IRTQIECGZUIMFP-SFHVURJKSA-N 0 0 452.580 4.682 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001457028219 1066748088 /nfs/dbraw/zinc/74/80/88/1066748088.db2.gz IOVLSJKYNNLQKY-GHTZIAJQSA-N 0 0 459.384 4.882 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001457028224 1066748096 /nfs/dbraw/zinc/74/80/96/1066748096.db2.gz IOVLSJKYNNLQKY-NQIIRXRSSA-N 0 0 459.384 4.882 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC001492645967 1066748113 /nfs/dbraw/zinc/74/81/13/1066748113.db2.gz QBGFWBONIRQNQY-JGCGQSQUSA-N 0 0 486.066 4.927 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCc4cc(Br)cc(C)c4C3)n2)n1 ZINC001446852898 1066748438 /nfs/dbraw/zinc/74/84/38/1066748438.db2.gz CCWJBOXGHQIOOH-UHFFFAOYSA-N 0 0 459.775 4.807 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001492646023 1066748466 /nfs/dbraw/zinc/74/84/66/1066748466.db2.gz RVSDMTXVLFQVKB-SANMLTNESA-N 0 0 499.681 4.946 20 0 JJADRN COC(=O)c1cc(C(=O)Oc2ccc(Sc3ccnc4cc(Cl)ccc43)cc2)n(C)n1 ZINC001457030148 1066748587 /nfs/dbraw/zinc/74/85/87/1066748587.db2.gz RIJRAZZZKQHBPB-UHFFFAOYSA-N 0 0 453.907 4.779 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001492646164 1066749007 /nfs/dbraw/zinc/74/90/07/1066749007.db2.gz YBYZPZNXEILDKM-SANMLTNESA-N 0 0 481.666 4.855 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)s3)n2Cc2cnn(C)c2C)c1 ZINC001492646170 1066749035 /nfs/dbraw/zinc/74/90/35/1066749035.db2.gz YGTODLIPDSMEJL-UHFFFAOYSA-N 0 0 477.457 4.866 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)Oc2ccccc2OC)c1 ZINC001457034033 1066749625 /nfs/dbraw/zinc/74/96/25/1066749625.db2.gz YZBARCPOAZLZMR-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3Br)n2CCNC(=O)C(C)(C)C)c1 ZINC001492646213 1066749588 /nfs/dbraw/zinc/74/95/88/1066749588.db2.gz ZJLGCPHVQUCVGE-UHFFFAOYSA-N 0 0 490.471 4.876 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COCc2ccccc2)c1 ZINC001492646721 1066749869 /nfs/dbraw/zinc/74/98/69/1066749869.db2.gz PVCGEYLBDQLZPG-LJQANCHMSA-N 0 0 450.612 4.538 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C1 ZINC001457036249 1066749919 /nfs/dbraw/zinc/74/99/19/1066749919.db2.gz SGMIONIEQZTBJR-NSHDSACASA-N 0 0 456.383 4.685 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 ZINC001457037099 1066749935 /nfs/dbraw/zinc/74/99/35/1066749935.db2.gz KJFLTGAKKCCREV-UHFFFAOYSA-N 0 0 452.736 4.672 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(C)cc(Br)c1N ZINC001446865263 1066749914 /nfs/dbraw/zinc/74/99/14/1066749914.db2.gz BWWGFWSNUKBBHD-APPDUMDISA-N 0 0 456.178 4.608 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)c1 ZINC001492646664 1066749944 /nfs/dbraw/zinc/74/99/44/1066749944.db2.gz OFXAZVOCNRFUPO-QFIPXVFZSA-N 0 0 488.679 4.531 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001457037988 1066749981 /nfs/dbraw/zinc/74/99/81/1066749981.db2.gz WVMKEPKQOVFSAJ-IYMLOVEFSA-N 0 0 456.671 4.744 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CCC(=O)NC2CCCCC2)c1 ZINC001492646953 1066750399 /nfs/dbraw/zinc/75/03/99/1066750399.db2.gz AVJJFSYKYSHFCB-UHFFFAOYSA-N 0 0 457.669 4.776 20 0 JJADRN O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001446871285 1066750447 /nfs/dbraw/zinc/75/04/47/1066750447.db2.gz UCLVBYKMVASLOU-IBGZPJMESA-N 0 0 451.533 4.776 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)(C)C)C1)OC ZINC001545990372 1066750499 /nfs/dbraw/zinc/75/04/99/1066750499.db2.gz RRFBSVRUMIVLJX-PMACEKPBSA-N 0 0 463.667 4.690 20 0 JJADRN O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001446871286 1066750507 /nfs/dbraw/zinc/75/05/07/1066750507.db2.gz UCLVBYKMVASLOU-LJQANCHMSA-N 0 0 451.533 4.776 20 0 JJADRN COC(=O)c1ccc2c(c1)OCCN(C(=O)c1ccccc1OCc1ccc(Cl)cc1)C2 ZINC001457040020 1066750584 /nfs/dbraw/zinc/75/05/84/1066750584.db2.gz PQSXFHKLKMFAAC-UHFFFAOYSA-N 0 0 451.906 4.740 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)c1 ZINC001492647117 1066750909 /nfs/dbraw/zinc/75/09/09/1066750909.db2.gz FMIWPWKXGRMKQB-QHCPKHFHSA-N 0 0 488.101 4.885 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3C)n2Cc2nccc(C(F)F)n2)c1 ZINC001492647027 1066751121 /nfs/dbraw/zinc/75/11/21/1066751121.db2.gz DGTDSSNPQFQOLC-UHFFFAOYSA-N 0 0 454.550 4.960 20 0 JJADRN Cc1cc(NC(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001446874730 1066751355 /nfs/dbraw/zinc/75/13/55/1066751355.db2.gz AFSJLGMNWMQXIQ-UHFFFAOYSA-N 0 0 451.354 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccc(OCc4ccccc4)cn3)C2)CC1 ZINC001446877191 1066751396 /nfs/dbraw/zinc/75/13/96/1066751396.db2.gz AZKBBISUYIVKEZ-UHFFFAOYSA-N 0 0 451.567 4.524 20 0 JJADRN CC(C)N1C(=O)CN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)CC1(C)C ZINC001457052343 1066751531 /nfs/dbraw/zinc/75/15/31/1066751531.db2.gz IDZLFNYPFIXXSU-UHFFFAOYSA-N 0 0 453.533 4.904 20 0 JJADRN CCc1oc2ccccc2c1CC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001457049282 1066751707 /nfs/dbraw/zinc/75/17/07/1066751707.db2.gz YHDGPXWCIUVYCU-UHFFFAOYSA-N 0 0 456.262 4.558 20 0 JJADRN COc1ccc(CN(C(=O)c2c(C)[nH]nc2Br)[C@H]2CCCC[C@H]2C)cc1OC ZINC001446877919 1066751740 /nfs/dbraw/zinc/75/17/40/1066751740.db2.gz IACQQHBJDFDQLG-CJNGLKHVSA-N 0 0 450.377 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1(C)C ZINC001446877933 1066751786 /nfs/dbraw/zinc/75/17/86/1066751786.db2.gz IDEFJIACKHIFKK-DHSIGJKJSA-N 0 0 456.414 4.628 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(Br)cc2)c1 ZINC001492647604 1066751975 /nfs/dbraw/zinc/75/19/75/1066751975.db2.gz QTQFFSBHMGRIGJ-KRWDZBQOSA-N 0 0 461.429 4.794 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(Br)ccc1I ZINC001457059262 1066752189 /nfs/dbraw/zinc/75/21/89/1066752189.db2.gz DNSXROFDNPSQIE-NVXWUHKLSA-N 0 0 456.121 4.514 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cn2)nnc1-c1ccccc1 ZINC001457060987 1066752744 /nfs/dbraw/zinc/75/27/44/1066752744.db2.gz VGDLAPAMYIJHFL-UTKZUKDTSA-N 0 0 451.596 4.776 20 0 JJADRN COc1ccc(CN(C(=O)c2[nH]nc(C)c2Br)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001446882085 1066752784 /nfs/dbraw/zinc/75/27/84/1066752784.db2.gz RMEIHJUOILDNMY-BBRMVZONSA-N 0 0 450.377 4.719 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2Cc2ncccc2N(C)C)c1 ZINC001492647885 1066752885 /nfs/dbraw/zinc/75/28/85/1066752885.db2.gz ZQJYSXAGHZOGJU-UHFFFAOYSA-N 0 0 450.587 4.524 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC(C)C)c1 ZINC001492648097 1066752937 /nfs/dbraw/zinc/75/29/37/1066752937.db2.gz JRKZXHKXQGMDJP-KDURUIRLSA-N 0 0 477.675 4.870 20 0 JJADRN O=C(c1nn(-c2ccccc2F)cc1Br)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001457062458 1066753039 /nfs/dbraw/zinc/75/30/39/1066753039.db2.gz AHIOXLKXRNCXGW-MRXNPFEDSA-N 0 0 458.331 4.717 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457061655 1066753053 /nfs/dbraw/zinc/75/30/53/1066753053.db2.gz CGHKCMXNWFNICL-DQEYMECFSA-N 0 0 451.588 4.770 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CCc2cc(CC)ccc21 ZINC001457062246 1066753073 /nfs/dbraw/zinc/75/30/73/1066753073.db2.gz GGNCCKFRLRZXJW-FQEVSTJZSA-N 0 0 458.400 4.569 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446882584 1066753300 /nfs/dbraw/zinc/75/33/00/1066753300.db2.gz SBUKIYVIMFZLPO-NSHDSACASA-N 0 0 452.691 4.998 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457065681 1066753623 /nfs/dbraw/zinc/75/36/23/1066753623.db2.gz QSQFDTARHZNGEM-VNCLNFNDSA-N 0 0 453.421 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccccc3OCc3ccncc3)C2)CC1 ZINC001446886535 1066753750 /nfs/dbraw/zinc/75/37/50/1066753750.db2.gz ZVRQIACSMPXJCA-UHFFFAOYSA-N 0 0 451.567 4.524 20 0 JJADRN O=C(CCOc1ccccc1Br)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446884954 1066753779 /nfs/dbraw/zinc/75/37/79/1066753779.db2.gz WHPSKULXJRTTGK-ZDUSSCGKSA-N 0 0 458.183 4.920 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)C2)CC1 ZINC001446886527 1066753786 /nfs/dbraw/zinc/75/37/86/1066753786.db2.gz ZMBYGEDIIVDXSE-UHFFFAOYSA-N 0 0 459.587 4.736 20 0 JJADRN CN(C)c1cc(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c1 ZINC001446885502 1066753825 /nfs/dbraw/zinc/75/38/25/1066753825.db2.gz YKAHJIHGMFYUSP-UHFFFAOYSA-N 0 0 455.521 4.635 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)c1 ZINC001492648347 1066753891 /nfs/dbraw/zinc/75/38/91/1066753891.db2.gz RHXIOIRPENVQJZ-IBGZPJMESA-N 0 0 464.657 4.851 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3cc(Br)ccc3O)nc21 ZINC001457067384 1066754055 /nfs/dbraw/zinc/75/40/55/1066754055.db2.gz LSUDWVDACDLYMJ-UHFFFAOYSA-N 0 0 458.131 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCCC[C@@H]3Cc3ccc(O)cc3)cc2C1 ZINC001457067510 1066754206 /nfs/dbraw/zinc/75/42/06/1066754206.db2.gz JTFKARKDGYQSFW-HSZRJFAPSA-N 0 0 450.579 4.923 20 0 JJADRN NC(=O)c1c(Cl)cccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001457067330 1066754239 /nfs/dbraw/zinc/75/42/39/1066754239.db2.gz UIMIBPQZSWPPFT-UHFFFAOYSA-N 0 0 456.774 4.568 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](Cc2ccccc2)C1)OC ZINC001545990453 1066754238 /nfs/dbraw/zinc/75/42/38/1066754238.db2.gz SMVHOIZHYTXPOB-LADGPHEKSA-N 0 0 497.684 4.887 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)c1 ZINC001492648461 1066754518 /nfs/dbraw/zinc/75/45/18/1066754518.db2.gz XEFMIAXCTLIYDO-KDURUIRLSA-N 0 0 489.686 4.872 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCO3)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001492648499 1066754686 /nfs/dbraw/zinc/75/46/86/1066754686.db2.gz YJRPZSVIEBZFRS-QGZVFWFLSA-N 0 0 467.426 4.950 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(CC)(CC)c1ccccc1)C2=O ZINC001457069156 1066754653 /nfs/dbraw/zinc/75/46/53/1066754653.db2.gz LALMPFJQZVBDQZ-UHFFFAOYSA-N 0 0 455.643 4.778 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1NC(=O)c1ccccc1 ZINC001446904286 1066754878 /nfs/dbraw/zinc/75/48/78/1066754878.db2.gz RLRWODZMBRANFX-MOPGFXCFSA-N 0 0 451.567 4.717 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NC[C@H](Cc3ccccc3)c3ccccc3)o2)cc1 ZINC001457069823 1066754832 /nfs/dbraw/zinc/75/48/32/1066754832.db2.gz XSJQZUFGYJNFAS-QFIPXVFZSA-N 0 0 459.571 4.980 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCC(F)F)n1 ZINC001492648727 1066755062 /nfs/dbraw/zinc/75/50/62/1066755062.db2.gz GSPSXWHVJWLKKQ-UHFFFAOYSA-N 0 0 460.323 4.751 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nccs2)c1 ZINC001492648532 1066755077 /nfs/dbraw/zinc/75/50/77/1066755077.db2.gz ZFGIBTUBQZLYJB-IYBDPMFKSA-N 0 0 474.656 4.560 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSC[C@@H]2C)n1 ZINC001492648583 1066755083 /nfs/dbraw/zinc/75/50/83/1066755083.db2.gz BINKLJKAXVONNL-LBPRGKRZSA-N 0 0 468.421 4.602 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001457072288 1066755113 /nfs/dbraw/zinc/75/51/13/1066755113.db2.gz KNEUYEBAOULZNH-GSHUGGBRSA-N 0 0 457.954 4.685 20 0 JJADRN CCOc1ccc(CCC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457074770 1066755698 /nfs/dbraw/zinc/75/56/98/1066755698.db2.gz RHHPHHGGRPPMEJ-AREMUKBSSA-N 0 0 451.588 4.636 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]3C)oc21 ZINC001446909621 1066755762 /nfs/dbraw/zinc/75/57/62/1066755762.db2.gz ZKELNWZQIOPGLD-ZIAGYGMSSA-N 0 0 451.361 4.974 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]3C)oc21 ZINC001446909603 1066755853 /nfs/dbraw/zinc/75/58/53/1066755853.db2.gz ZKELNWZQIOPGLD-KBPBESRZSA-N 0 0 451.361 4.974 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2cscn2)n1 ZINC001492649102 1066755891 /nfs/dbraw/zinc/75/58/91/1066755891.db2.gz RDSBHUDKWDHJSB-AWEZNQCLSA-N 0 0 461.016 4.978 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)n1 ZINC001492648966 1066755987 /nfs/dbraw/zinc/75/59/87/1066755987.db2.gz NQMKQOCSVPPGSN-KRWDZBQOSA-N 0 0 481.601 4.920 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)n1 ZINC001492649167 1066756021 /nfs/dbraw/zinc/75/60/21/1066756021.db2.gz SUWGCKAWKWFVPP-AWEZNQCLSA-N 0 0 478.391 4.859 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492649262 1066756357 /nfs/dbraw/zinc/75/63/57/1066756357.db2.gz WLGAOWSPIAQYQD-GDBMZVCRSA-N 0 0 450.033 4.826 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)cc12 ZINC001457076015 1066756173 /nfs/dbraw/zinc/75/61/73/1066756173.db2.gz OPMLYZUEHWYTIT-ZDUSSCGKSA-N 0 0 456.921 4.757 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@H](C)CSC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079682 1066756764 /nfs/dbraw/zinc/75/67/64/1066756764.db2.gz TVGNYAWZCXKZKJ-AUUYWEPGSA-N 0 0 459.555 4.747 20 0 JJADRN O=C(NCc1cc(OCC(F)F)ccn1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446926074 1066756905 /nfs/dbraw/zinc/75/69/05/1066756905.db2.gz NAPRZUMZXFCXBH-OAQYLSRUSA-N 0 0 450.844 4.955 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC001492649734 1066756945 /nfs/dbraw/zinc/75/69/45/1066756945.db2.gz NGJUMISOJYPJPE-OAQYLSRUSA-N 0 0 465.545 4.596 20 0 JJADRN Cc1csc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccc(Br)cc2)n1 ZINC001492649698 1066756974 /nfs/dbraw/zinc/75/69/74/1066756974.db2.gz MJFHSSPEGNACCY-UHFFFAOYSA-N 0 0 457.401 4.528 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001446927352 1066757169 /nfs/dbraw/zinc/75/71/69/1066757169.db2.gz RAVULATZUPYFCT-QFIPXVFZSA-N 0 0 458.599 4.938 20 0 JJADRN COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1OC ZINC001457079801 1066757262 /nfs/dbraw/zinc/75/72/62/1066757262.db2.gz VMSMVMNEDSYGTL-VWLOTQADSA-N 0 0 453.922 4.577 20 0 JJADRN Cc1csc(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC001492649989 1066757410 /nfs/dbraw/zinc/75/74/10/1066757410.db2.gz WVXQVLTVNFNZKL-UHFFFAOYSA-N 0 0 464.492 4.891 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@H](C)OC2CCCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457081780 1066757629 /nfs/dbraw/zinc/75/76/29/1066757629.db2.gz WVRPJNQOZWQSQV-UQBPGWFLSA-N 0 0 457.636 4.986 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457081794 1066757757 /nfs/dbraw/zinc/75/77/57/1066757757.db2.gz XDDGEZCKKCWDFS-GAJHUEQPSA-N 0 0 457.979 4.725 20 0 JJADRN Cc1csc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)n1 ZINC001492650804 1066757937 /nfs/dbraw/zinc/75/79/37/1066757937.db2.gz UZLKHHUVUVXEOP-FUHWJXTLSA-N 0 0 494.434 4.895 20 0 JJADRN Cc1csc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492650408 1066758003 /nfs/dbraw/zinc/75/80/03/1066758003.db2.gz JWSGXMDEPVUJJX-IBGZPJMESA-N 0 0 486.642 4.744 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F ZINC001457085576 1066758106 /nfs/dbraw/zinc/75/81/06/1066758106.db2.gz GRTHUIUXZSKMPZ-NFBKMPQASA-N 0 0 458.436 4.808 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNC(=O)c2occc2C)CCO1 ZINC001546086916 1066758300 /nfs/dbraw/zinc/75/83/00/1066758300.db2.gz BEKDOEOXXUNTJU-MUUNZHRXSA-N 0 0 493.652 4.969 20 0 JJADRN Cc1csc(Cn2c(N(Cc3cccs3)C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492651325 1066758360 /nfs/dbraw/zinc/75/83/60/1066758360.db2.gz MLALBHPZROMJDN-JOCHJYFZSA-N 0 0 461.657 4.608 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492651316 1066758489 /nfs/dbraw/zinc/75/84/89/1066758489.db2.gz LZCMZVRDCWVIBV-FQEVSTJZSA-N 0 0 455.628 4.538 20 0 JJADRN CSc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1C ZINC001446956060 1066758754 /nfs/dbraw/zinc/75/87/54/1066758754.db2.gz HZHMHVQJOKPJMC-UHFFFAOYSA-N 0 0 451.577 4.743 20 0 JJADRN Cc1csc(Cn2c(Cc3ccncc3)nnc2N(C)CCc2ccc(Br)cc2)n1 ZINC001492651385 1066758828 /nfs/dbraw/zinc/75/88/28/1066758828.db2.gz OSIZENZLTHRQEG-UHFFFAOYSA-N 0 0 483.439 4.519 20 0 JJADRN Cc1csc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)n1 ZINC001492651387 1066758856 /nfs/dbraw/zinc/75/88/56/1066758856.db2.gz OYNDTWKZXPUHSD-UHFFFAOYSA-N 0 0 458.513 4.732 20 0 JJADRN Cc1csc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSCC2)n1 ZINC001492651610 1066758862 /nfs/dbraw/zinc/75/88/62/1066758862.db2.gz WVFFRAHYHMOWPO-UHFFFAOYSA-N 0 0 464.060 4.618 20 0 JJADRN Cc1csc(Cn2c(N(Cc3cccc(F)c3)C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492651459 1066758870 /nfs/dbraw/zinc/75/88/70/1066758870.db2.gz RNKMPVOLRHXKJI-XMMPIXPASA-N 0 0 473.618 4.686 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC001446965677 1066759033 /nfs/dbraw/zinc/75/90/33/1066759033.db2.gz WZUIPINCIFSKLL-UHFFFAOYSA-N 0 0 458.562 4.731 20 0 JJADRN CCc1nsc(N2CCN(C(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)CC2)n1 ZINC001457090440 1066759076 /nfs/dbraw/zinc/75/90/76/1066759076.db2.gz JRODPTNWHFXCLV-HPWMWCSUSA-N 0 0 465.450 4.955 20 0 JJADRN CCc1cnccc1CNC(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446965186 1066759397 /nfs/dbraw/zinc/75/93/97/1066759397.db2.gz PHNAGZODCNLFDN-FQEVSTJZSA-N 0 0 457.574 4.825 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)NC(C)(C)Cc3cccc(Br)c3)c(C)c12 ZINC001457093714 1066759763 /nfs/dbraw/zinc/75/97/63/1066759763.db2.gz OUGDSXCGRLLPQH-UHFFFAOYSA-N 0 0 457.416 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N=[S@](C)(=O)c3ccc(Cl)cc3)cc2C1 ZINC001457093749 1066759785 /nfs/dbraw/zinc/75/97/85/1066759785.db2.gz QSKXNNJXOWPBLC-GDLZYMKVSA-N 0 0 455.001 4.992 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC=CO2)CCO1 ZINC001546086984 1066759807 /nfs/dbraw/zinc/75/98/07/1066759807.db2.gz CRSYICDJJXQJLW-AVRDEDQJSA-N 0 0 461.404 4.714 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001446969453 1066759866 /nfs/dbraw/zinc/75/98/66/1066759866.db2.gz FQTXWWZUCQIRJI-PMACEKPBSA-N 0 0 454.615 4.846 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001492652354 1066759794 /nfs/dbraw/zinc/75/97/94/1066759794.db2.gz DQFSOAFHPRKCLH-INIZCTEOSA-N 0 0 482.000 4.877 20 0 JJADRN C[S@@](=O)(=NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC001457095081 1066760297 /nfs/dbraw/zinc/76/02/97/1066760297.db2.gz CGJUQIVNVFVCNX-WINIVTDRSA-N 0 0 453.377 4.626 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001492652416 1066760377 /nfs/dbraw/zinc/76/03/77/1066760377.db2.gz FPTRCPVVDLVRND-ROUUACIJSA-N 0 0 488.057 4.808 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCSC(F)(F)F)CC2)n1 ZINC001492652643 1066760757 /nfs/dbraw/zinc/76/07/57/1066760757.db2.gz YHRSLDWSEINJQP-UHFFFAOYSA-N 0 0 488.992 4.943 20 0 JJADRN Cc1csc(N2CCN(c3nnc(Cc4ccsc4)n3CCCSCC(C)C)CC2)n1 ZINC001492652786 1066760885 /nfs/dbraw/zinc/76/08/85/1066760885.db2.gz MERKIFQUGLESQJ-UHFFFAOYSA-N 0 0 476.741 4.801 20 0 JJADRN Cc1nc([C@H](NC(=O)c2nc(Br)sc2C2CC2)c2ccc(Cl)cc2)no1 ZINC001446980316 1066761023 /nfs/dbraw/zinc/76/10/23/1066761023.db2.gz QOXJRNWNSQFFJB-GFCCVEGCSA-N 0 0 453.749 4.647 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3c2CCCC3)cc1 ZINC001446982434 1066761353 /nfs/dbraw/zinc/76/13/53/1066761353.db2.gz CCXPQAUTPOLERE-RBUKOAKNSA-N 0 0 452.599 4.529 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC001446981692 1066761364 /nfs/dbraw/zinc/76/13/64/1066761364.db2.gz MNIPUHJLQQDRJZ-JOCHJYFZSA-N 0 0 451.615 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC001446982551 1066761418 /nfs/dbraw/zinc/76/14/18/1066761418.db2.gz ZSYMFZOCAWMMPK-OAQYLSRUSA-N 0 0 453.970 4.885 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001492653650 1066761821 /nfs/dbraw/zinc/76/18/21/1066761821.db2.gz KXZUALTYHXAUGA-UHFFFAOYSA-N 0 0 488.057 4.855 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(F)(F)F ZINC001492653700 1066761859 /nfs/dbraw/zinc/76/18/59/1066761859.db2.gz DZIWGWXXOFMEND-UHFFFAOYSA-N 0 0 462.339 4.853 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C2=O ZINC001446987313 1066761953 /nfs/dbraw/zinc/76/19/53/1066761953.db2.gz LSBASYNVZUSUGD-FQELHTAISA-N 0 0 458.480 4.793 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN(C)c1ccccc1 ZINC001492653504 1066761983 /nfs/dbraw/zinc/76/19/83/1066761983.db2.gz BDLQWKOYLCSXGT-UHFFFAOYSA-N 0 0 453.015 4.984 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC001446987410 1066762319 /nfs/dbraw/zinc/76/23/19/1066762319.db2.gz XCPLYQVWQXKHBS-VHSSKADRSA-N 0 0 450.967 4.567 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001492653751 1066762318 /nfs/dbraw/zinc/76/23/18/1066762318.db2.gz MGTSJHWTYPVPIM-LJQANCHMSA-N 0 0 483.657 4.805 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492653817 1066762347 /nfs/dbraw/zinc/76/23/47/1066762347.db2.gz NWCIVFIEWRYVGZ-AZUAARDMSA-N 0 0 475.659 4.679 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001492653889 1066762839 /nfs/dbraw/zinc/76/28/39/1066762839.db2.gz PMMIATOAQMUFCV-QGZVFWFLSA-N 0 0 473.046 4.798 20 0 JJADRN C[S@@](=O)(=NC(=O)c1c(Cl)ccnc1Br)c1cccc(Br)c1 ZINC001457103423 1066763039 /nfs/dbraw/zinc/76/30/39/1066763039.db2.gz PTNICOVLIAJJOB-NRFANRHFSA-N 0 0 452.555 4.557 20 0 JJADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446990712 1066763138 /nfs/dbraw/zinc/76/31/38/1066763138.db2.gz OQDIYLAVWTXIOG-IEBWSBKVSA-N 0 0 455.640 4.517 20 0 JJADRN O=C(NCc1ccccc1N1CCCCC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001446991432 1066763424 /nfs/dbraw/zinc/76/34/24/1066763424.db2.gz QAYIPURNVDPQGB-UHFFFAOYSA-N 0 0 459.413 4.676 20 0 JJADRN C[C@@H]1CN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446991564 1066763487 /nfs/dbraw/zinc/76/34/87/1066763487.db2.gz OHYNEFXCHZDRMD-RBUKOAKNSA-N 0 0 454.615 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446991595 1066763549 /nfs/dbraw/zinc/76/35/49/1066763549.db2.gz XGRJROBCJAEYMR-UXHICEINSA-N 0 0 459.635 4.738 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001492654118 1066763434 /nfs/dbraw/zinc/76/34/34/1066763434.db2.gz MHBBHWSAWQNHIO-MRXNPFEDSA-N 0 0 461.429 4.989 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001492654547 1066763773 /nfs/dbraw/zinc/76/37/73/1066763773.db2.gz WKMCNMJABYJIDC-SFHVURJKSA-N 0 0 469.630 4.880 20 0 JJADRN CCCN(C(=O)c1ccc(I)cn1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001457105873 1066763853 /nfs/dbraw/zinc/76/38/53/1066763853.db2.gz IAOKFOKPYBMGOW-ROUUACIJSA-N 0 0 456.368 4.666 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc(C(C)(C)C)co1)c1ccccc1Br ZINC001457105532 1066763923 /nfs/dbraw/zinc/76/39/23/1066763923.db2.gz ZLXDRBLKAJNRJI-HNNXBMFYSA-N 0 0 452.349 4.939 20 0 JJADRN COC(=O)COc1ccc(C(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1 ZINC001457109371 1066763969 /nfs/dbraw/zinc/76/39/69/1066763969.db2.gz LYAMOZVTCUFDTD-QHCPKHFHSA-N 0 0 457.498 4.758 20 0 JJADRN CS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 ZINC001457111061 1066764323 /nfs/dbraw/zinc/76/43/23/1066764323.db2.gz LLYRTMALFAEJNG-BRWVUGGUSA-N 0 0 457.434 4.757 20 0 JJADRN CS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 ZINC001457111059 1066764403 /nfs/dbraw/zinc/76/44/03/1066764403.db2.gz LLYRTMALFAEJNG-BBWFWOEESA-N 0 0 457.434 4.757 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCSc1ccc(Br)cc1 ZINC001446998045 1066764449 /nfs/dbraw/zinc/76/44/49/1066764449.db2.gz WXYDAMDFYVDLHL-GJZGRUSLSA-N 0 0 457.434 4.788 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)cc1Br ZINC001447007253 1066764657 /nfs/dbraw/zinc/76/46/57/1066764657.db2.gz KOGMDFZYMNLTAF-UHFFFAOYSA-N 0 0 456.127 4.785 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(F)cc3Br)nnc2N(C)CCCCCO)s1 ZINC001492654964 1066764808 /nfs/dbraw/zinc/76/48/08/1066764808.db2.gz IOQZVZOJKYADFJ-UHFFFAOYSA-N 0 0 496.450 4.762 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@@H](C)C2)s1 ZINC001492654817 1066764865 /nfs/dbraw/zinc/76/48/65/1066764865.db2.gz DLIUPBBNIOVZBV-ZDUSSCGKSA-N 0 0 465.595 4.804 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)c2ccco2)CCO1 ZINC001546087350 1066764911 /nfs/dbraw/zinc/76/49/11/1066764911.db2.gz KQWGUHWMJCWOIU-PKTZIBPZSA-N 0 0 489.414 4.522 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492655083 1066765219 /nfs/dbraw/zinc/76/52/19/1066765219.db2.gz BPEUDHFKYJDEIZ-YZGWKJHDSA-N 0 0 489.686 4.718 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001457113579 1066765327 /nfs/dbraw/zinc/76/53/27/1066765327.db2.gz NSUFRJPJXHASPR-CXAGYDPISA-N 0 0 453.008 4.906 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC)cc1Br ZINC001447012861 1066765527 /nfs/dbraw/zinc/76/55/27/1066765527.db2.gz NAGSAMBULPXSEL-GLJUWKHASA-N 0 0 457.409 4.964 20 0 JJADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447011610 1066765536 /nfs/dbraw/zinc/76/55/36/1066765536.db2.gz LJESZLPKYAVWSZ-PXNSSMCTSA-N 0 0 454.514 4.508 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492655186 1066765805 /nfs/dbraw/zinc/76/58/05/1066765805.db2.gz MHZFWYHNNCPVPJ-STQMWFEESA-N 0 0 463.449 4.834 20 0 JJADRN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001447014975 1066766038 /nfs/dbraw/zinc/76/60/38/1066766038.db2.gz XPYHSUDXEKFAQD-NRSPTQNISA-N 0 0 451.007 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CCCOc4c(F)cccc43)on2)CC1 ZINC001447014808 1066766087 /nfs/dbraw/zinc/76/60/87/1066766087.db2.gz PEWGKONCDICCJL-GOSISDBHSA-N 0 0 459.518 4.572 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)cc2)n1 ZINC001457119834 1066766554 /nfs/dbraw/zinc/76/65/54/1066766554.db2.gz BZOGHFYGJAOHSU-UHFFFAOYSA-N 0 0 453.495 4.706 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991706 1066766464 /nfs/dbraw/zinc/76/64/64/1066766464.db2.gz XJXASUSSLJPGFM-MZNJEOGPSA-N 0 0 452.002 4.806 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546087389 1066767140 /nfs/dbraw/zinc/76/71/40/1066767140.db2.gz LITDYJUOBOHEGA-VOIUYBSRSA-N 0 0 494.036 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cccc(Nc4nccs4)c3)cc2C1 ZINC001447023186 1066767410 /nfs/dbraw/zinc/76/74/10/1066767410.db2.gz KZKZMRFXJDJMFD-UHFFFAOYSA-N 0 0 451.552 4.827 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2scnc2C)s1 ZINC001492655694 1066767332 /nfs/dbraw/zinc/76/73/32/1066767332.db2.gz LIMFVNXDKBBUOC-UHFFFAOYSA-N 0 0 495.678 4.865 20 0 JJADRN Cc1cscc1Cn1c(COc2ccccc2F)nnc1N1CCC=C(Br)C1 ZINC001492655952 1066767775 /nfs/dbraw/zinc/76/77/75/1066767775.db2.gz RKKFZUVOYBGGRU-UHFFFAOYSA-N 0 0 463.376 4.903 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492656032 1066767788 /nfs/dbraw/zinc/76/77/88/1066767788.db2.gz UYQKIRLNSMYYFD-QFIPXVFZSA-N 0 0 496.681 4.715 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492655867 1066767872 /nfs/dbraw/zinc/76/78/72/1066767872.db2.gz ZVYVEBQOVDESDP-SJLPKXTDSA-N 0 0 476.046 4.860 20 0 JJADRN CCc1nn(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001447032175 1066768098 /nfs/dbraw/zinc/76/80/98/1066768098.db2.gz XOTRNTHCFGNIQG-UHFFFAOYSA-N 0 0 452.971 4.614 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC001457128176 1066768074 /nfs/dbraw/zinc/76/80/74/1066768074.db2.gz OKCLMIJJRZQQTK-CQSZACIVSA-N 0 0 451.324 4.658 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1)Oc1cccc(F)c1 ZINC001545991881 1066768560 /nfs/dbraw/zinc/76/85/60/1066768560.db2.gz BIEZYKGVVQVZFI-KNQAVFIVSA-N 0 0 492.661 4.582 20 0 JJADRN Cc1nn(C)c(C)c1CNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001457128906 1066768642 /nfs/dbraw/zinc/76/86/42/1066768642.db2.gz QNCKTZRTVIOBSH-GOSISDBHSA-N 0 0 455.386 4.568 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)Oc1cccc(Br)c1 ZINC001457130223 1066768791 /nfs/dbraw/zinc/76/87/91/1066768791.db2.gz IWZTVTRZFVQPRK-CYBMUJFWSA-N 0 0 453.174 4.827 20 0 JJADRN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001457130388 1066769251 /nfs/dbraw/zinc/76/92/51/1066769251.db2.gz YJTPVYVNBDRGHV-NSHDSACASA-N 0 0 459.237 4.989 20 0 JJADRN C[C@@H](CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)Oc1cccc(Br)c1 ZINC001457132720 1066769255 /nfs/dbraw/zinc/76/92/55/1066769255.db2.gz LHBMXILNAPNJLX-INIZCTEOSA-N 0 0 450.348 4.511 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CC1 ZINC001457136720 1066770455 /nfs/dbraw/zinc/77/04/55/1066770455.db2.gz UHUSMKNGWCBFCD-UHFFFAOYSA-N 0 0 459.537 4.500 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C12CCCC2 ZINC001457138283 1066770595 /nfs/dbraw/zinc/77/05/95/1066770595.db2.gz BXNUXHUWDCMQSA-DHIUTWEWSA-N 0 0 457.592 4.539 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)s2)c(C)c1 ZINC001447066452 1066770745 /nfs/dbraw/zinc/77/07/45/1066770745.db2.gz FVKSCJRQSXPNRT-NRFANRHFSA-N 0 0 456.011 4.572 20 0 JJADRN CC(C)(C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001447067245 1066770767 /nfs/dbraw/zinc/77/07/67/1066770767.db2.gz ZVGHAIPBZUMQIT-HXUWFJFHSA-N 0 0 454.920 4.514 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC001447066782 1066770936 /nfs/dbraw/zinc/77/09/36/1066770936.db2.gz HBXYSOMOOOGKEG-LJQANCHMSA-N 0 0 452.913 4.879 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001447068989 1066770981 /nfs/dbraw/zinc/77/09/81/1066770981.db2.gz JAHSDPOTNSOFJM-BTYIYWSLSA-N 0 0 455.813 4.703 20 0 JJADRN Cc1nc(C)c(CCn2c(CCOc3ccccc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492657198 1066770925 /nfs/dbraw/zinc/77/09/25/1066770925.db2.gz PHBDTYFQYFTEGS-UHFFFAOYSA-N 0 0 468.652 4.617 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C12CCCC2 ZINC001457138332 1066771093 /nfs/dbraw/zinc/77/10/93/1066771093.db2.gz BXNUXHUWDCMQSA-XZOQPEGZSA-N 0 0 457.592 4.539 20 0 JJADRN CC(C)(C)OC(=O)Cn1cccc(C(=O)N(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c1=O ZINC001457142845 1066771386 /nfs/dbraw/zinc/77/13/86/1066771386.db2.gz VHSVPTHKGMOMNA-GMAHTHKFSA-N 0 0 456.627 4.934 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)C[C@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492657726 1066771473 /nfs/dbraw/zinc/77/14/73/1066771473.db2.gz XYXKEWDTJZASAP-SIBVEZHUSA-N 0 0 483.682 4.875 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492657853 1066772069 /nfs/dbraw/zinc/77/20/69/1066772069.db2.gz DALIOQMFKSELNJ-UHFFFAOYSA-N 0 0 461.517 4.641 20 0 JJADRN CCc1ccc(O)c(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1 ZINC001447096653 1066772602 /nfs/dbraw/zinc/77/26/02/1066772602.db2.gz WUYYITBJDPAMPH-UHFFFAOYSA-N 0 0 455.234 4.569 20 0 JJADRN CCOC(=O)CC1(CNC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)CCCCC1 ZINC001447100409 1066772665 /nfs/dbraw/zinc/77/26/65/1066772665.db2.gz GTAZJAQEOKSXAE-UHFFFAOYSA-N 0 0 455.452 4.664 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545992699 1066773281 /nfs/dbraw/zinc/77/32/81/1066773281.db2.gz MACMMGKROUIYJF-OFUUFJSKSA-N 0 0 485.629 4.720 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)s1 ZINC001492658687 1066773551 /nfs/dbraw/zinc/77/35/51/1066773551.db2.gz HHPUTZCZQKFOOY-OAHLLOKOSA-N 0 0 487.073 4.856 20 0 JJADRN Cc1ccc2[nH]c(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)nc2c1 ZINC001457149147 1066773688 /nfs/dbraw/zinc/77/36/88/1066773688.db2.gz ZLPDZUCYCJSBHK-MOPGFXCFSA-N 0 0 468.985 4.792 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492658882 1066774025 /nfs/dbraw/zinc/77/40/25/1066774025.db2.gz KNAKOMXKQGLYNM-HOTGVXAUSA-N 0 0 459.591 4.683 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc(Cl)cc2C1 ZINC001447108142 1066774343 /nfs/dbraw/zinc/77/43/43/1066774343.db2.gz ZFLXRSIAVOHONW-JOCHJYFZSA-N 0 0 453.970 4.842 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N(Cc3ccc(OC)cc3)[C@H](CO)C(C)C)cs2)cc1 ZINC001447109884 1066774538 /nfs/dbraw/zinc/77/45/38/1066774538.db2.gz OUNBBBYQDFEEFX-HSZRJFAPSA-N 0 0 454.592 4.877 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nccn2C(F)F)CCO1 ZINC001546087663 1066774684 /nfs/dbraw/zinc/77/46/84/1066774684.db2.gz QGGPMIIYWWCQHA-OAQYLSRUSA-N 0 0 495.372 4.661 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492659020 1066774720 /nfs/dbraw/zinc/77/47/20/1066774720.db2.gz NWSWPINJHPPXIK-UHFFFAOYSA-N 0 0 482.654 4.522 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)s1 ZINC001492659021 1066774840 /nfs/dbraw/zinc/77/48/40/1066774840.db2.gz NXXZAVMGZMAMPO-UHFFFAOYSA-N 0 0 480.682 4.669 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC001457155905 1066774753 /nfs/dbraw/zinc/77/47/53/1066774753.db2.gz RKXAUGYCCCXGDM-HNNXBMFYSA-N 0 0 452.511 4.608 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCS2)CCO1 ZINC001546087724 1066775100 /nfs/dbraw/zinc/77/51/00/1066775100.db2.gz RQKWYEJPHUKTGW-NTKDMRAZSA-N 0 0 460.644 4.642 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)CCO1 ZINC001546087738 1066775283 /nfs/dbraw/zinc/77/52/83/1066775283.db2.gz SCDLCISAGYNSCT-LHSJRXKWSA-N 0 0 451.384 4.898 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546087745 1066775309 /nfs/dbraw/zinc/77/53/09/1066775309.db2.gz SCNNLNMVLJYGKF-RPBOFIJWSA-N 0 0 477.049 4.944 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCOCC2CC2)s1 ZINC001492659243 1066775281 /nfs/dbraw/zinc/77/52/81/1066775281.db2.gz VLZKIZJJYFBODK-UHFFFAOYSA-N 0 0 476.444 4.692 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)(F)F)s1 ZINC001492659226 1066775296 /nfs/dbraw/zinc/77/52/96/1066775296.db2.gz VBVBXYKWQGXSKE-UHFFFAOYSA-N 0 0 477.354 4.556 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CCO1 ZINC001546087786 1066775854 /nfs/dbraw/zinc/77/58/54/1066775854.db2.gz STSUWQWDHHLYJD-JOCHJYFZSA-N 0 0 499.990 4.764 20 0 JJADRN Cc1nc(C)c(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSCC2)s1 ZINC001492659620 1066776138 /nfs/dbraw/zinc/77/61/38/1066776138.db2.gz HEVMSXBIOVMLCT-UHFFFAOYSA-N 0 0 478.087 4.926 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCSC)CCO1 ZINC001546087885 1066776330 /nfs/dbraw/zinc/77/63/30/1066776330.db2.gz VKXATYYVLYPVBQ-XMMPIXPASA-N 0 0 456.612 4.876 20 0 JJADRN COC(=O)c1csc(NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1C ZINC001447120177 1066776272 /nfs/dbraw/zinc/77/62/72/1066776272.db2.gz AIFJRKUWXOECSR-KRWDZBQOSA-N 0 0 458.536 4.664 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N1CCCc2cccc(O)c21 ZINC001447115603 1066776425 /nfs/dbraw/zinc/77/64/25/1066776425.db2.gz YICXLLTVGMRPTP-UHFFFAOYSA-N 0 0 457.596 4.865 20 0 JJADRN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001457161507 1066776488 /nfs/dbraw/zinc/77/64/88/1066776488.db2.gz KJMPQQDRMFRJLS-KNQAVFIVSA-N 0 0 458.624 4.870 20 0 JJADRN CS[C@H]1CC[C@@H](NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001457161338 1066776496 /nfs/dbraw/zinc/77/64/96/1066776496.db2.gz HKWVNMXAXGJBBH-SJORKVTESA-N 0 0 452.498 4.737 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001447124601 1066776787 /nfs/dbraw/zinc/77/67/87/1066776787.db2.gz DZWANMATQAVSBD-KRWDZBQOSA-N 0 0 452.429 4.903 20 0 JJADRN Cc1nc(C)c(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492659761 1066776974 /nfs/dbraw/zinc/77/69/74/1066776974.db2.gz BLFIPNIXVFYTPT-MRXNPFEDSA-N 0 0 464.060 4.818 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@H](CCOC)Cc3cccc(Br)c3)CC2)cc1 ZINC001457161756 1066776980 /nfs/dbraw/zinc/77/69/80/1066776980.db2.gz WHKAZXXAYPWJGS-OAQYLSRUSA-N 0 0 459.428 4.556 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001447124448 1066776900 /nfs/dbraw/zinc/77/69/00/1066776900.db2.gz DNKDUJMICQJZNH-MRXNPFEDSA-N 0 0 453.461 4.702 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CC[C@H](SC)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457163516 1066777013 /nfs/dbraw/zinc/77/70/13/1066777013.db2.gz LAYJOJIDDWPDCQ-KNEWOZPHSA-N 0 0 452.620 4.888 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC001447131186 1066777526 /nfs/dbraw/zinc/77/75/26/1066777526.db2.gz MVUSCJJGERUAFD-IBGZPJMESA-N 0 0 455.885 4.953 20 0 JJADRN Cc1nc(-c2cc3c(s2)CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)C)C3)cs1 ZINC001492660159 1066777451 /nfs/dbraw/zinc/77/74/51/1066777451.db2.gz IUDUAXJUHGLHFZ-UHFFFAOYSA-N 0 0 486.711 4.838 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC001492660375 1066777575 /nfs/dbraw/zinc/77/75/75/1066777575.db2.gz TZRBAOCBQQEKGY-UHFFFAOYSA-N 0 0 499.660 4.918 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(C(C)C)nnc3N(C)Cc3ccc(Br)o3)cc2)n[nH]1 ZINC001492660202 1066777589 /nfs/dbraw/zinc/77/75/89/1066777589.db2.gz KWDCQPDBDBKCGH-UHFFFAOYSA-N 0 0 470.375 4.535 20 0 JJADRN Cc1nc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001492660576 1066778043 /nfs/dbraw/zinc/77/80/43/1066778043.db2.gz QLCQMYFCABUVSZ-UHFFFAOYSA-N 0 0 498.600 4.560 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001457165729 1066778180 /nfs/dbraw/zinc/77/81/80/1066778180.db2.gz COBCNSOFZPGROW-UXHICEINSA-N 0 0 456.539 4.522 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545993208 1066778450 /nfs/dbraw/zinc/77/84/50/1066778450.db2.gz TVLAPQSDHHFGFV-JYLXEMOASA-N 0 0 485.629 4.719 20 0 JJADRN CC(C)(C)c1nc(CCNC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cs1 ZINC001447158010 1066778497 /nfs/dbraw/zinc/77/84/97/1066778497.db2.gz GWKLNJSXNBFJSN-LJQANCHMSA-N 0 0 457.543 4.549 20 0 JJADRN O=C(Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)[C@H]1CCCC12OCCO2 ZINC001447155222 1066778635 /nfs/dbraw/zinc/77/86/35/1066778635.db2.gz AIXCBMBZIXEOCQ-CQSZACIVSA-N 0 0 453.283 4.953 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CCC(=O)NCCc4csc(C(C)(C)C)n4)[nH]c(=O)c23)C1 ZINC001447155524 1066778723 /nfs/dbraw/zinc/77/87/23/1066778723.db2.gz AYWBFJBSAJAZIE-ZDUSSCGKSA-N 0 0 458.653 4.567 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492660741 1066778621 /nfs/dbraw/zinc/77/86/21/1066778621.db2.gz TWTNBQYWNBYMTL-LJQANCHMSA-N 0 0 469.655 4.749 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cc(Cl)cc(F)c3Br)n2)c1 ZINC001457169297 1066778763 /nfs/dbraw/zinc/77/87/63/1066778763.db2.gz KTWJWKZZUWASEJ-VIFPVBQESA-N 0 0 454.683 4.791 20 0 JJADRN COc1cc(N)c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1Br ZINC001447162926 1066779148 /nfs/dbraw/zinc/77/91/48/1066779148.db2.gz GCSBIZKMSZKWKT-UHFFFAOYSA-N 0 0 450.333 4.948 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492660939 1066779213 /nfs/dbraw/zinc/77/92/13/1066779213.db2.gz ZQCDGEYZJLRGLZ-IEBWSBKVSA-N 0 0 461.676 4.712 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@H]2CCCSC2)cs1 ZINC001492661143 1066779718 /nfs/dbraw/zinc/77/97/18/1066779718.db2.gz DLRZOZKGRAXOTO-YLJYHZDGSA-N 0 0 471.696 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@@]2(O)CCCC2(C)C)cs1 ZINC001492661088 1066779831 /nfs/dbraw/zinc/77/98/31/1066779831.db2.gz CRMAEYNJOYFNJB-QYBDOPJKSA-N 0 0 483.682 4.738 20 0 JJADRN Cc1c(C(=O)N(C)[C@@H]2CCSC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001447165104 1066779848 /nfs/dbraw/zinc/77/98/48/1066779848.db2.gz CHVMEVSUJLQKBI-OAHLLOKOSA-N 0 0 459.662 4.780 20 0 JJADRN Cc1c(C(=O)N(C)[C@H]2CCSC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001447165095 1066779900 /nfs/dbraw/zinc/77/99/00/1066779900.db2.gz CHVMEVSUJLQKBI-HNNXBMFYSA-N 0 0 459.662 4.780 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 ZINC001447172979 1066780269 /nfs/dbraw/zinc/78/02/69/1066780269.db2.gz VXMRXCUBGGUAIT-HNNXBMFYSA-N 0 0 454.319 4.711 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1nc(-c2cccc(F)c2)no1 ZINC001457174204 1066780691 /nfs/dbraw/zinc/78/06/91/1066780691.db2.gz PIWXCQQJXKEXPL-ZDUSSCGKSA-N 0 0 459.319 4.729 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@@H](C)Oc4c(C)cc(Cl)cc4C)n3CC(C)C)CCO2)no1 ZINC001492661467 1066780713 /nfs/dbraw/zinc/78/07/13/1066780713.db2.gz BXQPLVYCJOLWNW-APWZRJJASA-N 0 0 474.993 4.614 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC001457177010 1066780801 /nfs/dbraw/zinc/78/08/01/1066780801.db2.gz VIPSDCYCHVYMGU-XFBWCDHKSA-N 0 0 467.324 4.556 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1SCc1cn2ccccc2n1 ZINC001447176647 1066780827 /nfs/dbraw/zinc/78/08/27/1066780827.db2.gz SZXYMEQZGFTQQY-FQEVSTJZSA-N 0 0 455.942 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2CCOc2ncccc2Cl)cs1 ZINC001492661679 1066781184 /nfs/dbraw/zinc/78/11/84/1066781184.db2.gz KWECMPHXKJSLNV-AWEZNQCLSA-N 0 0 458.975 4.552 20 0 JJADRN COc1ccccc1-c1[nH]nc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1C ZINC001457181562 1066781354 /nfs/dbraw/zinc/78/13/54/1066781354.db2.gz WXVLMPSAIMTWPQ-LJQANCHMSA-N 0 0 454.958 4.830 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545993345 1066781286 /nfs/dbraw/zinc/78/12/86/1066781286.db2.gz VTKMDMHYNVEWQD-KXBFYZLASA-N 0 0 493.427 4.676 20 0 JJADRN Cc1nc2cc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)ccc2n1Cc1ccsc1 ZINC001447189212 1066781298 /nfs/dbraw/zinc/78/12/98/1066781298.db2.gz XJGFOZXUPZMXAO-FQEVSTJZSA-N 0 0 459.493 4.937 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC001447195227 1066781756 /nfs/dbraw/zinc/78/17/56/1066781756.db2.gz LHXKIJYRWSVPKG-JOCHJYFZSA-N 0 0 450.341 4.501 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001447200178 1066781805 /nfs/dbraw/zinc/78/18/05/1066781805.db2.gz NZYROLYXARMFJP-TUVUNVSASA-N 0 0 462.015 4.816 20 0 JJADRN O=C(CCCNC(=O)OCc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC001447200367 1066781928 /nfs/dbraw/zinc/78/19/28/1066781928.db2.gz OTXJRFDRJUQZCH-UHFFFAOYSA-N 0 0 457.983 4.829 20 0 JJADRN CC(C)C1(O)CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 ZINC001457182864 1066781951 /nfs/dbraw/zinc/78/19/51/1066781951.db2.gz UUHGAVOPCPFSMG-UHFFFAOYSA-N 0 0 453.764 4.913 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCSC(C)C)CCO2)no1 ZINC001492662602 1066782253 /nfs/dbraw/zinc/78/22/53/1066782253.db2.gz KZSOVMXUGMXGGP-FQEVSTJZSA-N 0 0 470.643 4.654 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001447205402 1066782259 /nfs/dbraw/zinc/78/22/59/1066782259.db2.gz ZTACOWNQFWRCGV-OAHLLOKOSA-N 0 0 458.506 4.785 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001447200847 1066782273 /nfs/dbraw/zinc/78/22/73/1066782273.db2.gz MGQNARAKEHCHLI-GOSISDBHSA-N 0 0 456.951 4.933 20 0 JJADRN C[C@H](OC(=O)Cc1cccc(I)c1)c1nc2ccc(Cl)cc2n1C ZINC001457186351 1066782326 /nfs/dbraw/zinc/78/23/26/1066782326.db2.gz LTYLUBRJFOBNML-NSHDSACASA-N 0 0 454.695 4.678 20 0 JJADRN COc1ccc(O[C@H](C)CNC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 ZINC001457187290 1066782388 /nfs/dbraw/zinc/78/23/88/1066782388.db2.gz CJMIEBDPRPOENR-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457187844 1066782963 /nfs/dbraw/zinc/78/29/63/1066782963.db2.gz QHXGZGIIZSGDNW-UHFFFAOYSA-N 0 0 459.631 4.810 20 0 JJADRN C[C@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1OCc1ccccc1 ZINC001447210277 1066782960 /nfs/dbraw/zinc/78/29/60/1066782960.db2.gz PWFMIBUXMPHIRT-IBGZPJMESA-N 0 0 455.514 4.528 20 0 JJADRN CN(C)[C@H](C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1c(F)cccc1Cl ZINC001457190664 1066783380 /nfs/dbraw/zinc/78/33/80/1066783380.db2.gz ALVSFUBDFOIJHR-JXFKEZNVSA-N 0 0 456.002 4.625 20 0 JJADRN CSc1cccc([C@H](NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)c2ccc(F)c(F)c2)c1 ZINC001457191303 1066783432 /nfs/dbraw/zinc/78/34/32/1066783432.db2.gz FFPSPUGAPTXRSO-REWPJTCUSA-N 0 0 452.526 4.762 20 0 JJADRN Cc1cc(NC(=O)C2CC(O)(c3cccc(Cl)c3)C2)nn1CCCOc1ccc(F)cc1 ZINC001447224229 1066783360 /nfs/dbraw/zinc/78/33/60/1066783360.db2.gz FJMGMDLTDQEODG-UHFFFAOYSA-N 0 0 457.933 4.689 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001447227895 1066783429 /nfs/dbraw/zinc/78/34/29/1066783429.db2.gz JJMHBEHTZOFEMB-DEOSSOPVSA-N 0 0 453.542 4.834 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCOc2ncccc2Cl)cs1 ZINC001492663654 1066783369 /nfs/dbraw/zinc/78/33/69/1066783369.db2.gz GEGWRHDLFYCYQQ-QAPCUYQASA-N 0 0 461.035 4.776 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCCC(F)(F)F)CCO2)no1 ZINC001492663149 1066783471 /nfs/dbraw/zinc/78/34/71/1066783471.db2.gz RUNTZDALHSLFFL-QFBILLFUSA-N 0 0 494.518 4.647 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCCC(F)(F)F)CCO2)no1 ZINC001492663148 1066783504 /nfs/dbraw/zinc/78/35/04/1066783504.db2.gz RUNTZDALHSLFFL-LPHOPBHVSA-N 0 0 494.518 4.647 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC001447230731 1066783848 /nfs/dbraw/zinc/78/38/48/1066783848.db2.gz FLBKNRNEZQLMDJ-AYCKEJKLSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)C(F)(F)F ZINC001457193582 1066783827 /nfs/dbraw/zinc/78/38/27/1066783827.db2.gz SDBYEJKWJITJBY-FQEVSTJZSA-N 0 0 454.452 4.819 20 0 JJADRN COCC[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)c2ccccc21 ZINC001457193177 1066783927 /nfs/dbraw/zinc/78/39/27/1066783927.db2.gz RVDPUSXZABWMRK-AWEZNQCLSA-N 0 0 452.429 4.674 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)CCOc1cccc(C=O)c1)C(F)(F)F ZINC001457194918 1066784461 /nfs/dbraw/zinc/78/44/61/1066784461.db2.gz VFVCYBASDQEPLY-OAQYLSRUSA-N 0 0 459.468 4.533 20 0 JJADRN COC(=O)COc1ccc(C(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1 ZINC001457194502 1066784501 /nfs/dbraw/zinc/78/45/01/1066784501.db2.gz HMIFTAULDXLPGX-HSZRJFAPSA-N 0 0 457.498 4.758 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001447234249 1066784399 /nfs/dbraw/zinc/78/43/99/1066784399.db2.gz QUNFFVOBBWFQAQ-IBGZPJMESA-N 0 0 456.512 4.615 20 0 JJADRN C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(F)cc1OC(F)F ZINC001447236000 1066784575 /nfs/dbraw/zinc/78/45/75/1066784575.db2.gz ZXIDSCPSMFCWOD-ZDUSSCGKSA-N 0 0 450.844 4.782 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CC2(Cc3ccc(F)cc3)CC2)cs1 ZINC001492664197 1066784495 /nfs/dbraw/zinc/78/44/95/1066784495.db2.gz DQMCIMNXOLEMMO-UHFFFAOYSA-N 0 0 453.509 4.794 20 0 JJADRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001492664273 1066784581 /nfs/dbraw/zinc/78/45/81/1066784581.db2.gz HJVGMIJJYMNRKQ-UHFFFAOYSA-N 0 0 487.054 4.780 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001447244897 1066784629 /nfs/dbraw/zinc/78/46/29/1066784629.db2.gz GHHRDSPGEXLOJO-UHFFFAOYSA-N 0 0 452.407 4.502 20 0 JJADRN CCc1cnc(CN(C)C(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC001457195208 1066784952 /nfs/dbraw/zinc/78/49/52/1066784952.db2.gz VFZCNVRBQHFHGJ-UHFFFAOYSA-N 0 0 455.393 4.605 20 0 JJADRN O=C(c1cnc(-c2c(F)cccc2F)s1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447251622 1066784899 /nfs/dbraw/zinc/78/48/99/1066784899.db2.gz MZKJAEXXEWZSPN-MRXNPFEDSA-N 0 0 452.429 4.903 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1)c1ccc(Br)o1 ZINC001447248733 1066784907 /nfs/dbraw/zinc/78/49/07/1066784907.db2.gz WNUBFKIMCSMLAY-UHFFFAOYSA-N 0 0 451.280 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H](C)Oc2cccc(F)c2)cs1 ZINC001492665028 1066785546 /nfs/dbraw/zinc/78/55/46/1066785546.db2.gz UWCBDQDXGRNBQO-JKSUJKDBSA-N 0 0 486.642 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2CCCn2c(C)nc3ccccc32)cs1 ZINC001492664685 1066785564 /nfs/dbraw/zinc/78/55/64/1066785564.db2.gz NQZCMBDONAUIOC-UHFFFAOYSA-N 0 0 451.644 4.865 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(F)cc1OC(F)F ZINC001447265208 1066786165 /nfs/dbraw/zinc/78/61/65/1066786165.db2.gz JFTXTZFIFJBPHQ-CQSZACIVSA-N 0 0 452.473 4.985 20 0 JJADRN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC001447268270 1066786212 /nfs/dbraw/zinc/78/62/12/1066786212.db2.gz YHVLXIIWXIANTP-BJKOFHAPSA-N 0 0 454.636 4.621 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@]2(O)CCC[C@@H]2C)cs1 ZINC001492665244 1066786183 /nfs/dbraw/zinc/78/61/83/1066786183.db2.gz BHOFSUVBLHPHOB-NYHFZMIOSA-N 0 0 479.572 4.840 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001457197063 1066786307 /nfs/dbraw/zinc/78/63/07/1066786307.db2.gz YVAZXYGFCTZOIP-SHTZXODSSA-N 0 0 455.502 4.923 20 0 JJADRN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC001447276212 1066786678 /nfs/dbraw/zinc/78/66/78/1066786678.db2.gz UWEPFBMROAOJTD-URXFXBBRSA-N 0 0 458.599 4.714 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001457198867 1066786712 /nfs/dbraw/zinc/78/67/12/1066786712.db2.gz LKBKVFLARJTPIN-LJQANCHMSA-N 0 0 451.954 4.739 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1O)Nc1ccc2c(c1)OCO2 ZINC001447273091 1066786888 /nfs/dbraw/zinc/78/68/88/1066786888.db2.gz GZMLFTPSTFJIEL-UHFFFAOYSA-N 0 0 456.907 4.757 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Br)ccc1O ZINC001447278550 1066787502 /nfs/dbraw/zinc/78/75/02/1066787502.db2.gz PUEOMHRNIZDRQA-CYBMUJFWSA-N 0 0 457.162 4.751 20 0 JJADRN O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N(CCO)Cc1cc(Br)ccc1F ZINC001447277390 1066787528 /nfs/dbraw/zinc/78/75/28/1066787528.db2.gz NBXAWXBDBHNWEQ-INIZCTEOSA-N 0 0 452.217 4.639 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCC3(C)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001457203267 1066788205 /nfs/dbraw/zinc/78/82/05/1066788205.db2.gz ZYAFKYGYDZYLGB-BWKNWUBXSA-N 0 0 450.579 4.803 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2Cc2cc(Br)cs2)cs1 ZINC001492665839 1066788129 /nfs/dbraw/zinc/78/81/29/1066788129.db2.gz BGMSNALATCLIHT-UHFFFAOYSA-N 0 0 495.497 4.907 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001457203593 1066788731 /nfs/dbraw/zinc/78/87/31/1066788731.db2.gz AKEGZYCMCMSQEI-KDOFPFPSSA-N 0 0 453.967 4.674 20 0 JJADRN O=C(NC[C@@H]1OCc2ccccc21)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001457204231 1066788969 /nfs/dbraw/zinc/78/89/69/1066788969.db2.gz AWLPMOJVLSELFV-SFHVURJKSA-N 0 0 457.349 4.764 20 0 JJADRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)CCc2cc(Br)cs2)c1 ZINC001447296370 1066788980 /nfs/dbraw/zinc/78/89/80/1066788980.db2.gz BJKXCRPOLUCMJK-UHFFFAOYSA-N 0 0 458.381 4.793 20 0 JJADRN Cc1nc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)[nH]1 ZINC001447300556 1066789215 /nfs/dbraw/zinc/78/92/15/1066789215.db2.gz CQUAULXSSZSHRP-AREMUKBSSA-N 0 0 455.558 4.982 20 0 JJADRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC001447300865 1066789275 /nfs/dbraw/zinc/78/92/75/1066789275.db2.gz HNILGWUNLLHCNX-UHFFFAOYSA-N 0 0 456.571 4.626 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cc2cnc3ccccc3n2)c1 ZINC001447304592 1066789286 /nfs/dbraw/zinc/78/92/86/1066789286.db2.gz FMVLDXXHTDYXRA-DCFHFQCYSA-N 0 0 455.558 4.579 20 0 JJADRN CCCc1c(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001457206468 1066789812 /nfs/dbraw/zinc/78/98/12/1066789812.db2.gz YSJLQDUESAELOC-HSZRJFAPSA-N 0 0 454.615 4.534 20 0 JJADRN CC(C)c1cc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)nn1-c1ccccc1 ZINC001447310775 1066789942 /nfs/dbraw/zinc/78/99/42/1066789942.db2.gz YLKVBCZSQUVKAU-UHFFFAOYSA-N 0 0 453.546 4.959 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001457208476 1066790339 /nfs/dbraw/zinc/79/03/39/1066790339.db2.gz PFUSHSITOGERLX-KDOFPFPSSA-N 0 0 453.967 4.674 20 0 JJADRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC001447311164 1066790388 /nfs/dbraw/zinc/79/03/88/1066790388.db2.gz RPSWBOXPHOSVAM-SJLPKXTDSA-N 0 0 456.384 4.874 20 0 JJADRN O=C(NCC1CCS(=O)(=O)CC1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001447312829 1066790401 /nfs/dbraw/zinc/79/04/01/1066790401.db2.gz FUDNDJLTXGEHPZ-IBGZPJMESA-N 0 0 458.432 4.768 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@@H]2CCC[C@@H](O)C2)cs1 ZINC001492666225 1066790433 /nfs/dbraw/zinc/79/04/33/1066790433.db2.gz LOTIEYJOIUMPPW-RHSMWYFYSA-N 0 0 496.500 4.645 20 0 JJADRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC001447313130 1066790513 /nfs/dbraw/zinc/79/05/13/1066790513.db2.gz BDXNFIHHCDEAMJ-ZDUSSCGKSA-N 0 0 458.308 4.995 20 0 JJADRN O=C(NCC1CCS(=O)(=O)CC1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001447312833 1066790552 /nfs/dbraw/zinc/79/05/52/1066790552.db2.gz FUDNDJLTXGEHPZ-LJQANCHMSA-N 0 0 458.432 4.768 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001457208530 1066790711 /nfs/dbraw/zinc/79/07/11/1066790711.db2.gz PSQBOPFZLZIJMG-YJBOKZPZSA-N 0 0 454.995 4.903 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457209170 1066790730 /nfs/dbraw/zinc/79/07/30/1066790730.db2.gz RZZKSCWIWIOIOL-VDHUWJSZSA-N 0 0 456.505 4.841 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ccc(CN3CCOCC3)o2)c2ccc(F)c(F)c2)c1 ZINC001457208848 1066790877 /nfs/dbraw/zinc/79/08/77/1066790877.db2.gz UVJHPJFWJMEUEH-QHCPKHFHSA-N 0 0 458.530 4.631 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3cccc4cccc(Br)c43)CCO2)cc1OC ZINC001457210103 1066791152 /nfs/dbraw/zinc/79/11/52/1066791152.db2.gz CMAMKZVSNJXONL-OAQYLSRUSA-N 0 0 456.336 4.833 20 0 JJADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@@H](C2CCCC2)C1 ZINC001457211007 1066791277 /nfs/dbraw/zinc/79/12/77/1066791277.db2.gz CTWBMRLWVNFHEO-HXUWFJFHSA-N 0 0 453.048 4.947 20 0 JJADRN COc1ccc2c(c1)OC[C@H](NC(=O)c1ccc(OCc3ccccc3Cl)c(OC)c1)C2 ZINC001447319524 1066791601 /nfs/dbraw/zinc/79/16/01/1066791601.db2.gz IKJORHLVXQHUEA-LJQANCHMSA-N 0 0 453.922 4.670 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)Oc1cccc(F)c1 ZINC001545994474 1066791622 /nfs/dbraw/zinc/79/16/22/1066791622.db2.gz ABPUMPVWJMMCCX-FYYLOGMGSA-N 0 0 484.620 4.658 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c(OC)c(OC)c1 ZINC001457211405 1066791646 /nfs/dbraw/zinc/79/16/46/1066791646.db2.gz XQUDUDONQQCSCK-UHFFFAOYSA-N 0 0 454.548 4.919 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)CCO2)cc1OC ZINC001457212169 1066791750 /nfs/dbraw/zinc/79/17/50/1066791750.db2.gz HYFSCMKEUYCDES-YZILGEIOSA-N 0 0 457.395 4.772 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc4ccccc4o3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492666511 1066791815 /nfs/dbraw/zinc/79/18/15/1066791815.db2.gz XBLQGEHTAILQNU-UHFFFAOYSA-N 0 0 496.637 4.883 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CSCc1ccncc1)c1ccc2ccccc2c1 ZINC001447321977 1066791907 /nfs/dbraw/zinc/79/19/07/1066791907.db2.gz PYPUEVWHLDUUHZ-JOCHJYFZSA-N 0 0 451.592 4.850 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)Oc1ccccc1F ZINC001545994495 1066792063 /nfs/dbraw/zinc/79/20/63/1066792063.db2.gz ALMIWXPMTQGPTC-FPOVZHCZSA-N 0 0 468.621 4.666 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCOC[C@H]2C)cs1 ZINC001492666576 1066792456 /nfs/dbraw/zinc/79/24/56/1066792456.db2.gz ZCERGUIDXYTHJG-HIFRSBDPSA-N 0 0 452.049 4.658 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994547 1066792488 /nfs/dbraw/zinc/79/24/88/1066792488.db2.gz BEMJBUHGSVXUGP-JTHBVZDNSA-N 0 0 484.689 4.885 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457217739 1066792504 /nfs/dbraw/zinc/79/25/04/1066792504.db2.gz NLEXGJVXIQBPLQ-ICSRJNTNSA-N 0 0 453.539 4.600 20 0 JJADRN O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447326656 1066793096 /nfs/dbraw/zinc/79/30/96/1066793096.db2.gz LNWFQMPRFRZPQY-AYOQOUSVSA-N 0 0 455.179 4.663 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457220555 1066792905 /nfs/dbraw/zinc/79/29/05/1066792905.db2.gz HJMLRYQEOFNQJN-VOIUYBSRSA-N 0 0 454.929 4.773 20 0 JJADRN COc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)ccc1OCC(=O)NC(C)C ZINC001457221750 1066793368 /nfs/dbraw/zinc/79/33/68/1066793368.db2.gz CKQLFANAMZPZKO-XMMPIXPASA-N 0 0 452.595 4.820 20 0 JJADRN O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)c1ccc(Sc2ccccc2Cl)nn1 ZINC001457221178 1066793567 /nfs/dbraw/zinc/79/35/67/1066793567.db2.gz KVYILRPCQGIUDQ-UHFFFAOYSA-N 0 0 450.833 4.824 20 0 JJADRN C[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)c1ccc(-c2ccccc2)cc1 ZINC001447328645 1066793487 /nfs/dbraw/zinc/79/34/87/1066793487.db2.gz WJJQXODQLSBXAS-WMZHIEFXSA-N 0 0 450.579 4.947 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)N(CCO)Cc3ccc(Cl)c(Cl)c3)c21 ZINC001447328489 1066793507 /nfs/dbraw/zinc/79/35/07/1066793507.db2.gz SNVSGZWMCOIDOB-UHFFFAOYSA-N 0 0 450.366 4.730 20 0 JJADRN CC[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447328108 1066793541 /nfs/dbraw/zinc/79/35/41/1066793541.db2.gz DIIROARMTKIOMC-PXNSSMCTSA-N 0 0 451.007 4.540 20 0 JJADRN COc1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)ccc1OCC(=O)NC(C)C ZINC001457221746 1066793660 /nfs/dbraw/zinc/79/36/60/1066793660.db2.gz CKQLFANAMZPZKO-DEOSSOPVSA-N 0 0 452.595 4.820 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001457224924 1066793951 /nfs/dbraw/zinc/79/39/51/1066793951.db2.gz QKRVCNNACRWOIA-RNUYOQPASA-N 0 0 459.587 4.853 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)ccn1 ZINC001447329400 1066794035 /nfs/dbraw/zinc/79/40/35/1066794035.db2.gz YIHHYJVGFYODFU-KRWDZBQOSA-N 0 0 459.974 4.691 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2Cc2cccc(Cl)c2)cs1 ZINC001492666667 1066794105 /nfs/dbraw/zinc/79/41/05/1066794105.db2.gz CPJNLSHWRCCIBR-UHFFFAOYSA-N 0 0 468.030 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCSc2ccccc2)cs1 ZINC001492666783 1066794620 /nfs/dbraw/zinc/79/46/20/1066794620.db2.gz HRJMDUGXYWFCAT-UHFFFAOYSA-N 0 0 488.086 4.840 20 0 JJADRN CC[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447330669 1066794406 /nfs/dbraw/zinc/79/44/06/1066794406.db2.gz IZJADUWWCUMLAP-XNCCSTQDSA-N 0 0 479.662 4.708 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)nn1-c1ccc(Br)cc1 ZINC001457227069 1066794481 /nfs/dbraw/zinc/79/44/81/1066794481.db2.gz DRWILMQVSYGPHK-QGZVFWFLSA-N 0 0 459.775 4.605 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCC3)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492667775 1066794634 /nfs/dbraw/zinc/79/46/34/1066794634.db2.gz OWDJUTUOIYRLOI-UHFFFAOYSA-N 0 0 465.545 4.860 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nc1 ZINC001457229747 1066794905 /nfs/dbraw/zinc/79/49/05/1066794905.db2.gz JUAJHQSENKITOI-UHFFFAOYSA-N 0 0 458.522 4.668 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447333533 1066794906 /nfs/dbraw/zinc/79/49/06/1066794906.db2.gz QRXLDTQUTYSXHR-PKOBYXMFSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)cs1 ZINC001492668099 1066795457 /nfs/dbraw/zinc/79/54/57/1066795457.db2.gz YNHGNZFZWXEQOJ-KXBFYZLASA-N 0 0 494.434 4.580 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)CC[C@H](C)c2ccccc21 ZINC001457230344 1066795573 /nfs/dbraw/zinc/79/55/73/1066795573.db2.gz RWZQBZAFFXIFBY-ZAMGYDSWSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2Cc2cc(Br)cs2)cs1 ZINC001492668309 1066795830 /nfs/dbraw/zinc/79/58/30/1066795830.db2.gz GCPUUAGHVIQWIJ-UHFFFAOYSA-N 0 0 495.497 4.642 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)CCC(C)C)CCO1 ZINC001546089055 1066795946 /nfs/dbraw/zinc/79/59/46/1066795946.db2.gz GVDHAISCBOJNIS-PKTZIBPZSA-N 0 0 479.463 4.900 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492668391 1066795925 /nfs/dbraw/zinc/79/59/25/1066795925.db2.gz JBSNABYACDTTMQ-CRAIPNDOSA-N 0 0 459.582 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccn3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492668412 1066795977 /nfs/dbraw/zinc/79/59/77/1066795977.db2.gz JVFLQJUQOAGFME-UHFFFAOYSA-N 0 0 452.550 4.686 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001457236509 1066796287 /nfs/dbraw/zinc/79/62/87/1066796287.db2.gz FMCFXXFTKAXULS-UHFFFAOYSA-N 0 0 454.530 4.892 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2Cc2ccsc2Br)cs1 ZINC001492668458 1066796494 /nfs/dbraw/zinc/79/64/94/1066796494.db2.gz LJZOKYGKEJMPQU-UHFFFAOYSA-N 0 0 495.497 4.642 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC001447338441 1066796508 /nfs/dbraw/zinc/79/65/08/1066796508.db2.gz GOYDJLGZWLSXQP-UHFFFAOYSA-N 0 0 456.832 4.990 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001457235299 1066796549 /nfs/dbraw/zinc/79/65/49/1066796549.db2.gz VDXRXRWRGBVOLY-SFHVURJKSA-N 0 0 452.776 4.732 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2C)cs1 ZINC001492668672 1066796833 /nfs/dbraw/zinc/79/68/33/1066796833.db2.gz UBAOEVBBKCZYBS-LPHOPBHVSA-N 0 0 460.047 4.639 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492668573 1066796854 /nfs/dbraw/zinc/79/68/54/1066796854.db2.gz QBIDPUQIUXRZJM-OFNKIYASSA-N 0 0 475.703 4.728 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)Oc1ccccc1F ZINC001545994805 1066797123 /nfs/dbraw/zinc/79/71/23/1066797123.db2.gz GQBIZVFZCAODCD-HXUWFJFHSA-N 0 0 489.636 4.778 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3c(F)cccc32)c1 ZINC001457240805 1066797295 /nfs/dbraw/zinc/79/72/95/1066797295.db2.gz SVLMSLZOIVXXQY-UHFFFAOYSA-N 0 0 458.942 4.897 20 0 JJADRN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC001447357777 1066797440 /nfs/dbraw/zinc/79/74/40/1066797440.db2.gz BFIZWVWMHKGTOD-QFIPXVFZSA-N 0 0 450.332 4.742 20 0 JJADRN COCc1ccc([C@H]2CCCN2C(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)o1 ZINC001447358049 1066797624 /nfs/dbraw/zinc/79/76/24/1066797624.db2.gz CYBHMUPCVATBEN-HSZRJFAPSA-N 0 0 453.583 4.745 20 0 JJADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cncc(C(F)(F)F)c1 ZINC001457244101 1066797511 /nfs/dbraw/zinc/79/75/11/1066797511.db2.gz GLZWEZBKFFYRIM-UHFFFAOYSA-N 0 0 454.499 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccc(F)cc3)n2CC2CC(F)(F)C2)cs1 ZINC001492669341 1066797622 /nfs/dbraw/zinc/79/76/22/1066797622.db2.gz RQKUDFDNFKAGAM-UHFFFAOYSA-N 0 0 465.545 4.724 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3Cl)n2CCc2c(C)noc2C)cs1 ZINC001492669305 1066797740 /nfs/dbraw/zinc/79/77/40/1066797740.db2.gz POWCBXHAWUAWIN-UHFFFAOYSA-N 0 0 487.029 4.650 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3Cl)n2CCC2CCOCC2)cs1 ZINC001492669272 1066797763 /nfs/dbraw/zinc/79/77/63/1066797763.db2.gz OHFYBAYOPHRXQW-UHFFFAOYSA-N 0 0 476.046 4.619 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCc2cccnc2)cs1 ZINC001492669676 1066798108 /nfs/dbraw/zinc/79/81/08/1066798108.db2.gz GNZAOHHVSSMLBA-UHFFFAOYSA-N 0 0 450.587 4.826 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccsc2Br)cs1 ZINC001492669749 1066798144 /nfs/dbraw/zinc/79/81/44/1066798144.db2.gz AAYGLBVHZBQXIK-CHWSQXEVSA-N 0 0 466.474 4.988 20 0 JJADRN CN(c1ccccc1)C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC001457264468 1066799107 /nfs/dbraw/zinc/79/91/07/1066799107.db2.gz FCWRSEWNCXSRLY-UHFFFAOYSA-N 0 0 452.190 4.953 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)cs1 ZINC001492669912 1066799113 /nfs/dbraw/zinc/79/91/13/1066799113.db2.gz LBJFUVUVJCPIDG-DEOSSOPVSA-N 0 0 482.698 4.578 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1)Oc1ccccc1F ZINC001545994970 1066799280 /nfs/dbraw/zinc/79/92/80/1066799280.db2.gz KAFGTNKCRAUPRM-FQEVSTJZSA-N 0 0 499.656 4.887 20 0 JJADRN Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492670132 1066799543 /nfs/dbraw/zinc/79/95/43/1066799543.db2.gz OPOPAABVGBCQOW-QUCCMNQESA-N 0 0 479.572 4.926 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2Cc2ccc(C[S@](C)=O)cc2)cs1 ZINC001492670252 1066799677 /nfs/dbraw/zinc/79/96/77/1066799677.db2.gz PMHCPJMZPITYHP-XIFFEERXSA-N 0 0 483.663 4.569 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)CC(C)(C)C1 ZINC001447366580 1066799678 /nfs/dbraw/zinc/79/96/78/1066799678.db2.gz NECYATJLJMZBNA-UHFFFAOYSA-N 0 0 450.158 4.952 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994992 1066799781 /nfs/dbraw/zinc/79/97/81/1066799781.db2.gz KHRXVRRBKVKXOR-VXKWHMMOSA-N 0 0 485.673 4.618 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2C[C@H](F)c2ccc(Br)cc2)CCO1 ZINC001546089233 1066799754 /nfs/dbraw/zinc/79/97/54/1066799754.db2.gz KLVGSQLNCDRKII-PGRDOPGGSA-N 0 0 474.378 4.819 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001457266692 1066799800 /nfs/dbraw/zinc/79/98/00/1066799800.db2.gz NLQXYXXOXOVOPE-LJQANCHMSA-N 0 0 456.542 4.656 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2Cc2ccc(C(C)(C)O)cc2)cs1 ZINC001492670362 1066800024 /nfs/dbraw/zinc/80/00/24/1066800024.db2.gz GNCVGPUZOBXOTQ-KRWDZBQOSA-N 0 0 453.656 4.782 20 0 JJADRN Cc1nc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2nccs2)cs1 ZINC001492670392 1066800180 /nfs/dbraw/zinc/80/01/80/1066800180.db2.gz UDRBPVSSHFJQJB-UHFFFAOYSA-N 0 0 456.563 4.502 20 0 JJADRN C[C@@H]1CN(C(=O)C[C@@H](n2cccn2)C(F)(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268831 1066800056 /nfs/dbraw/zinc/80/00/56/1066800056.db2.gz UJUHFZAKPAYGBP-DYESRHJHSA-N 0 0 456.468 4.593 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(OCC(F)F)cc3)[nH]c(=O)c2c1C ZINC001457269071 1066800069 /nfs/dbraw/zinc/80/00/69/1066800069.db2.gz PRIHKBXCJNYSMU-GFCCVEGCSA-N 0 0 453.536 4.918 20 0 JJADRN C[C@@H]1CN(C(=O)C[C@H](n2cccn2)C(F)(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268839 1066800139 /nfs/dbraw/zinc/80/01/39/1066800139.db2.gz UJUHFZAKPAYGBP-UTKZUKDTSA-N 0 0 456.468 4.593 20 0 JJADRN C[C@H]1CN(C(=O)C[C@H](n2cccn2)C(F)(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268842 1066800200 /nfs/dbraw/zinc/80/02/00/1066800200.db2.gz UJUHFZAKPAYGBP-UWJYYQICSA-N 0 0 456.468 4.593 20 0 JJADRN O=C(c1ncc(-c2cc(Cl)cc(Cl)c2)s1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001447368544 1066800136 /nfs/dbraw/zinc/80/01/36/1066800136.db2.gz LKZDIRGEMOMILD-UHFFFAOYSA-N 0 0 450.322 4.745 20 0 JJADRN COc1cccc(C(NC(=O)C(F)(F)c2ccccc2NC(C)=O)c2cccc(OC)c2)c1 ZINC001457268574 1066800327 /nfs/dbraw/zinc/80/03/27/1066800327.db2.gz MXMGFMHLXOXZDV-UHFFFAOYSA-N 0 0 454.473 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2ccc(Cl)s2)cs1 ZINC001492670776 1066800666 /nfs/dbraw/zinc/80/06/66/1066800666.db2.gz KEPCTHLMFYMLCS-QMTHXVAHSA-N 0 0 477.965 4.553 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccc(Cl)s2)cs1 ZINC001492670777 1066800687 /nfs/dbraw/zinc/80/06/87/1066800687.db2.gz KEPCTHLMFYMLCS-YGRLFVJLSA-N 0 0 477.965 4.553 20 0 JJADRN COc1cccc(C(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c2cccc(OC)c2)c1 ZINC001457270515 1066800782 /nfs/dbraw/zinc/80/07/82/1066800782.db2.gz RJJFNTQGALAMNQ-HTAPYJJXSA-N 0 0 454.567 4.555 20 0 JJADRN O=C([C@@H](Oc1ccc(Br)cc1F)c1ccccc1)N1CCOc2ncccc2C1 ZINC001447374442 1066800778 /nfs/dbraw/zinc/80/07/78/1066800778.db2.gz BNUALECMGDDXLP-FQEVSTJZSA-N 0 0 457.299 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CCN(CC(F)(F)F)c3ccccc32)C1 ZINC001457273898 1066801204 /nfs/dbraw/zinc/80/12/04/1066801204.db2.gz ACOWWMOTGMXDEP-KRWDZBQOSA-N 0 0 455.521 4.829 20 0 JJADRN CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1(C)C ZINC001447380935 1066801298 /nfs/dbraw/zinc/80/12/98/1066801298.db2.gz YPITUJAQUJHNJO-DHIUTWEWSA-N 0 0 452.620 4.690 20 0 JJADRN CCc1sc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)cc1Br ZINC001457270780 1066801273 /nfs/dbraw/zinc/80/12/73/1066801273.db2.gz YFKNXQDOKFXKIU-UHFFFAOYSA-N 0 0 452.805 4.944 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001457275610 1066801425 /nfs/dbraw/zinc/80/14/25/1066801425.db2.gz UQCHCXFFTDVYDK-JLHYYAGUSA-N 0 0 454.375 4.749 20 0 JJADRN O=C(NC1CC1)N[C@H]1CCN(C(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)C1 ZINC001447377687 1066801474 /nfs/dbraw/zinc/80/14/74/1066801474.db2.gz LQEHWSJQERTZJA-INIZCTEOSA-N 0 0 450.391 4.821 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC001457277297 1066801950 /nfs/dbraw/zinc/80/19/50/1066801950.db2.gz JJOHDVJTTAMLLE-HJWRWDBZSA-N 0 0 457.324 4.753 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3n[nH]c(C4CCC4)n3)cs2)cc1 ZINC001447383625 1066802216 /nfs/dbraw/zinc/80/22/16/1066802216.db2.gz YXZLYNVGMZDSBK-UHFFFAOYSA-N 0 0 454.556 4.719 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001492671478 1066802571 /nfs/dbraw/zinc/80/25/71/1066802571.db2.gz XMWBZCRTZIATTR-QZTJIDSGSA-N 0 0 486.686 4.683 20 0 JJADRN Cc1cc(C)c2c(c1)CCCN2C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001457278685 1066802586 /nfs/dbraw/zinc/80/25/86/1066802586.db2.gz ZHMGZGUIMZZHDI-UHFFFAOYSA-N 0 0 454.636 4.934 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cs1 ZINC001447390112 1066802691 /nfs/dbraw/zinc/80/26/91/1066802691.db2.gz CWSDJZWJROSABA-MRXNPFEDSA-N 0 0 454.365 4.545 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCC([C@@](C)(O)C(F)(F)F)CC3)cc2)c(OC)c1 ZINC001447394953 1066802767 /nfs/dbraw/zinc/80/27/67/1066802767.db2.gz TYKWLKOJDWMKNH-JOCHJYFZSA-N 0 0 452.473 4.613 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@H](C)C3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492671480 1066802628 /nfs/dbraw/zinc/80/26/28/1066802628.db2.gz XOQDVCXDDQTHIG-GASCZTMLSA-N 0 0 465.545 4.867 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2C)cs1 ZINC001492671782 1066803113 /nfs/dbraw/zinc/80/31/13/1066803113.db2.gz FGRUWAAMABXMTB-KURKYZTESA-N 0 0 457.669 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](c4ccsc4)C3)n2CCOCCC(C)C)cs1 ZINC001492671789 1066803273 /nfs/dbraw/zinc/80/32/73/1066803273.db2.gz FNIRAJDOOOTIEG-UTKZUKDTSA-N 0 0 475.684 4.724 20 0 JJADRN C[C@](O)(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)C(F)(F)F ZINC001447396959 1066803246 /nfs/dbraw/zinc/80/32/46/1066803246.db2.gz ZUAJCWSWAGQUQE-DEOSSOPVSA-N 0 0 457.496 4.764 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC001545995273 1066803326 /nfs/dbraw/zinc/80/33/26/1066803326.db2.gz OXKHQYSBXWSZHE-SFHVURJKSA-N 0 0 493.052 4.508 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001457282960 1066803840 /nfs/dbraw/zinc/80/38/40/1066803840.db2.gz FUTAJYXGNFFOHW-UHFFFAOYSA-N 0 0 451.386 4.665 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCc2ccncc2)cs1 ZINC001492672415 1066804378 /nfs/dbraw/zinc/80/43/78/1066804378.db2.gz BQLXURDCGWEPAY-UHFFFAOYSA-N 0 0 490.477 4.593 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)cs1 ZINC001492672527 1066804454 /nfs/dbraw/zinc/80/44/54/1066804454.db2.gz CDMSASMWMHQMBB-UHFFFAOYSA-N 0 0 481.670 4.838 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)nc1C ZINC001457287994 1066804685 /nfs/dbraw/zinc/80/46/85/1066804685.db2.gz FTMSTGTYXZDJNE-UHFFFAOYSA-N 0 0 453.402 4.584 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC001545995392 1066804692 /nfs/dbraw/zinc/80/46/92/1066804692.db2.gz RUJJOVSFTYBTDB-JOCHJYFZSA-N 0 0 464.658 4.988 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC001447403174 1066804705 /nfs/dbraw/zinc/80/47/05/1066804705.db2.gz DBWUANNMEKAWSQ-HOYKHHGWSA-N 0 0 452.576 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC001492672800 1066804987 /nfs/dbraw/zinc/80/49/87/1066804987.db2.gz YGLYZCDMQKVIJH-QGZVFWFLSA-N 0 0 494.587 4.891 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(OC2CCCC2)c1 ZINC001457290859 1066805277 /nfs/dbraw/zinc/80/52/77/1066805277.db2.gz AQTFUTIDEROGEN-PMACEKPBSA-N 0 0 452.595 4.556 20 0 JJADRN Cn1ccc([C@H](NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC001447411828 1066805788 /nfs/dbraw/zinc/80/57/88/1066805788.db2.gz KEIMWTMLPXSNSY-JOCHJYFZSA-N 0 0 454.958 4.869 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2Cc3ccc(Br)cc3C2)cs1 ZINC001447415983 1066806373 /nfs/dbraw/zinc/80/63/73/1066806373.db2.gz SEESNEOWMUPFGP-LLVKDONJSA-N 0 0 452.374 4.647 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001447415009 1066806423 /nfs/dbraw/zinc/80/64/23/1066806423.db2.gz KQUBVPYECNHKJJ-WZONZLPQSA-N 0 0 459.537 4.925 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673460 1066806795 /nfs/dbraw/zinc/80/67/95/1066806795.db2.gz UKKLKBLTCXVCHC-SQGPQFPESA-N 0 0 474.675 4.516 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)c1ccc(CC(C)C)s1)CCO2 ZINC001457299292 1066806904 /nfs/dbraw/zinc/80/69/04/1066806904.db2.gz JMXGTMDGQIJZTQ-UHFFFAOYSA-N 0 0 452.370 4.531 20 0 JJADRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CN1c2ccccc2OCCC1=O ZINC001457298796 1066807015 /nfs/dbraw/zinc/80/70/15/1066807015.db2.gz VRKDKQCHXUOQSV-CQSZACIVSA-N 0 0 459.333 4.553 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001457312342 1066807613 /nfs/dbraw/zinc/80/76/13/1066807613.db2.gz MKXOLZAUAIAJAH-GJFYNSNLSA-N 0 0 451.526 4.588 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]13)CCO2 ZINC001457304410 1066807639 /nfs/dbraw/zinc/80/76/39/1066807639.db2.gz WZJOSOOLXSVLNX-BMGDILEWSA-N 0 0 450.373 4.563 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](c4ccccc4C)C3)n2CCCOCC(F)F)cs1 ZINC001492674101 1066808092 /nfs/dbraw/zinc/80/80/92/1066808092.db2.gz KQDCVOVJRGAVDG-SFHVURJKSA-N 0 0 461.582 4.608 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545995660 1066807957 /nfs/dbraw/zinc/80/79/57/1066807957.db2.gz WMERDQKSPGSPSH-LEWJYISDSA-N 0 0 483.636 4.913 20 0 JJADRN CC[C@H](OC1CCCC1)C(=O)Nc1ccc(I)cc1Br ZINC001457314870 1066808148 /nfs/dbraw/zinc/80/81/48/1066808148.db2.gz DQOLHWBATAFXOY-AWEZNQCLSA-N 0 0 452.130 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@](C)(O)c2ccsc2)cs1 ZINC001492674294 1066808541 /nfs/dbraw/zinc/80/85/41/1066808541.db2.gz PFGRERKZXSVDEL-FQEVSTJZSA-N 0 0 485.601 4.772 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC001447430632 1066808634 /nfs/dbraw/zinc/80/86/34/1066808634.db2.gz BDQSRNBCMUSJSN-OXQOHEQNSA-N 0 0 450.362 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(c4nccs4)CC3)n2CCSC(F)(F)F)cs1 ZINC001492674142 1066808646 /nfs/dbraw/zinc/80/86/46/1066808646.db2.gz LYFZARLMJMNDJL-UHFFFAOYSA-N 0 0 474.603 4.727 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492674221 1066808695 /nfs/dbraw/zinc/80/86/95/1066808695.db2.gz NJENXTQRYOUBQS-BOSXTWCSSA-N 0 0 474.675 4.514 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492675127 1066810243 /nfs/dbraw/zinc/81/02/43/1066810243.db2.gz NNTDBGYCHAJUCG-UHFFFAOYSA-N 0 0 479.437 4.764 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492675024 1066810252 /nfs/dbraw/zinc/81/02/52/1066810252.db2.gz LXBWEOKIUVPNIV-SFHVURJKSA-N 0 0 498.722 4.556 20 0 JJADRN COC(=O)COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001447445707 1066810378 /nfs/dbraw/zinc/81/03/78/1066810378.db2.gz AHASUVHDCWRMEF-IBGZPJMESA-N 0 0 455.514 4.582 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001457324281 1066810356 /nfs/dbraw/zinc/81/03/56/1066810356.db2.gz LNAXLIMIVXBDES-CXAGYDPISA-N 0 0 458.402 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCc2sc(C)nc2C)cs1 ZINC001492675347 1066810799 /nfs/dbraw/zinc/81/07/99/1066810799.db2.gz VEDTVZDQWAVZAE-UHFFFAOYSA-N 0 0 469.467 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3ccccc3-c3nccs3)cn2)C1 ZINC001457326494 1066810829 /nfs/dbraw/zinc/81/08/29/1066810829.db2.gz OVYGCQPQMUNWPN-QGZVFWFLSA-N 0 0 453.568 4.831 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)C2)c1 ZINC001447459997 1066811487 /nfs/dbraw/zinc/81/14/87/1066811487.db2.gz ZNGBIISRGGHRQS-OYDLWJJNSA-N 0 0 453.558 4.757 20 0 JJADRN CC(C)c1ccc(CC2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)CC2)cc1 ZINC001447455839 1066811576 /nfs/dbraw/zinc/81/15/76/1066811576.db2.gz WTHZIASUGPUHSX-RBJSKKJNSA-N 0 0 470.654 4.865 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C/C=C/c2ccccc2)cs1 ZINC001492676015 1066812027 /nfs/dbraw/zinc/81/20/27/1066812027.db2.gz RSOLOUBBXVNGNI-DHZHZOJOSA-N 0 0 494.665 4.841 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC001457336997 1066812426 /nfs/dbraw/zinc/81/24/26/1066812426.db2.gz GRWRRZGAVVIBQE-KRWDZBQOSA-N 0 0 456.391 4.859 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4cc(F)cc(C)c4C3)n2CCSCC(F)(F)F)cs1 ZINC001492676373 1066813228 /nfs/dbraw/zinc/81/32/28/1066813228.db2.gz CZFYQAJERNYRMX-UHFFFAOYSA-N 0 0 485.576 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@H](C)Oc2ccccc2)cs1 ZINC001492676405 1066813234 /nfs/dbraw/zinc/81/32/34/1066813234.db2.gz DVTYAHJBTHAAMA-HNNXBMFYSA-N 0 0 474.428 4.590 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC001447480838 1066813465 /nfs/dbraw/zinc/81/34/65/1066813465.db2.gz VHJWTPVNEFMCIZ-HSZRJFAPSA-N 0 0 454.364 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492676572 1066813614 /nfs/dbraw/zinc/81/36/14/1066813614.db2.gz JEXCUOBKWNCVSE-BLLLJJGKSA-N 0 0 468.549 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCOc2ccc(F)cc2)cs1 ZINC001492676561 1066813766 /nfs/dbraw/zinc/81/37/66/1066813766.db2.gz IVSNBSUMEUWTFT-INIZCTEOSA-N 0 0 465.545 4.724 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)N1CCO[C@H](CCc3ccccc3)C1)N2C(=O)OC(C)(C)C ZINC001447482456 1066813972 /nfs/dbraw/zinc/81/39/72/1066813972.db2.gz JPHMUKVYIRRAAD-ZJSXRUAMSA-N 0 0 450.579 4.521 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492676574 1066814322 /nfs/dbraw/zinc/81/43/22/1066814322.db2.gz JEXCUOBKWNCVSE-MLGOLLRUSA-N 0 0 468.549 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4cc(F)cc(C)c4C3)n2CCCOCC(C)C)cs1 ZINC001492676679 1066814381 /nfs/dbraw/zinc/81/43/81/1066814381.db2.gz MATXCTOREWUDPP-UHFFFAOYSA-N 0 0 457.619 4.707 20 0 JJADRN COc1cc2ncc(C(=O)Nc3cc(Cl)c(C)cc3Br)c(O)c2c(OC)c1 ZINC001447488315 1066814489 /nfs/dbraw/zinc/81/44/89/1066814489.db2.gz HGSIISXPAMYMGI-UHFFFAOYSA-N 0 0 451.704 4.522 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NCCCc3ccc(Cl)cc3Cl)o2)cc1 ZINC001457349319 1066814648 /nfs/dbraw/zinc/81/46/48/1066814648.db2.gz XOSSGYNDAZBNHB-UHFFFAOYSA-N 0 0 452.363 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CCc2cccc(F)c2F)cs1 ZINC001492676901 1066814831 /nfs/dbraw/zinc/81/48/31/1066814831.db2.gz QXEUARWJAATWNL-UHFFFAOYSA-N 0 0 480.382 4.644 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC ZINC001457355104 1066815480 /nfs/dbraw/zinc/81/54/80/1066815480.db2.gz BAQMQNDTGXHZCQ-KRWDZBQOSA-N 0 0 452.938 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4ccccc4[C@H]3C)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492677077 1066815492 /nfs/dbraw/zinc/81/54/92/1066815492.db2.gz VIEKMWLRPXLMFS-CQSZACIVSA-N 0 0 483.535 4.675 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)OC(C)(C)C ZINC001457360444 1066815837 /nfs/dbraw/zinc/81/58/37/1066815837.db2.gz JELMOTVEQKNXHA-FQEVSTJZSA-N 0 0 453.587 4.601 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457360140 1066815987 /nfs/dbraw/zinc/81/59/87/1066815987.db2.gz RSAVCRKYLYEPHQ-IBGZPJMESA-N 0 0 450.739 4.777 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001447498676 1066816054 /nfs/dbraw/zinc/81/60/54/1066816054.db2.gz MACCZYOHGMNCJO-KCWPFWIISA-N 0 0 451.611 4.550 20 0 JJADRN CCc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)cnn1-c1ccccc1Cl ZINC001457358133 1066816016 /nfs/dbraw/zinc/81/60/16/1066816016.db2.gz PHEYNMULZWEVBO-QFIPXVFZSA-N 0 0 454.361 4.957 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001457361513 1066816510 /nfs/dbraw/zinc/81/65/10/1066816510.db2.gz RILAZFFIJAALKQ-UHFFFAOYSA-N 0 0 450.276 4.741 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)cc1OC ZINC001457360577 1066816636 /nfs/dbraw/zinc/81/66/36/1066816636.db2.gz LCCFBCQQQUPNQY-QGZVFWFLSA-N 0 0 454.995 4.999 20 0 JJADRN COc1ccc(N(Cc2ccccc2)C(=O)CCc2cc(OC)c(O)c(OC)c2)cc1OC ZINC001457361240 1066816656 /nfs/dbraw/zinc/81/66/56/1066816656.db2.gz MVXIAXOGTJJUCN-UHFFFAOYSA-N 0 0 451.519 4.593 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCc1nc(-c2ccccc2)no1 ZINC001447505045 1066816764 /nfs/dbraw/zinc/81/67/64/1066816764.db2.gz PLENTCHXUJIDDL-UHFFFAOYSA-N 0 0 458.305 4.733 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677647 1066816796 /nfs/dbraw/zinc/81/67/96/1066816796.db2.gz JUOHWCXJWQGISY-ICSRJNTNSA-N 0 0 474.675 4.660 20 0 JJADRN O=C(NCCc1cn(Cc2ccc(Cl)cc2)cn1)c1csc(Cc2ccc(F)cc2)n1 ZINC001457364377 1066817042 /nfs/dbraw/zinc/81/70/42/1066817042.db2.gz OAQQHECQOPRSAY-UHFFFAOYSA-N 0 0 454.958 4.744 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(C(=O)CC4CCCC4)CC3)n2CCCC(F)(F)F)cs1 ZINC001492677940 1066817135 /nfs/dbraw/zinc/81/71/35/1066817135.db2.gz OEGGXXAIATXOQC-UHFFFAOYSA-N 0 0 498.619 4.595 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678261 1066817777 /nfs/dbraw/zinc/81/77/77/1066817777.db2.gz VPIMTBBFSDULLR-CUWPLCDZSA-N 0 0 488.702 4.906 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)c1ccn(-c3ccc(F)cc3F)n1)CC2 ZINC001457365090 1066817820 /nfs/dbraw/zinc/81/78/20/1066817820.db2.gz AFACIYLUXMLAIK-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3C[C@H]4CCCC[C@]4(CNC(=O)OC(C)(C)C)C3)cs2)o1 ZINC001457364856 1066817851 /nfs/dbraw/zinc/81/78/51/1066817851.db2.gz PJBPHRJTQVJUPS-OSPHWJPCSA-N 0 0 459.612 4.798 20 0 JJADRN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(C)C)NC(=O)OC(C)(C)C ZINC001545996998 1066817949 /nfs/dbraw/zinc/81/79/49/1066817949.db2.gz HYNSQQXBWUMCKR-MRXNPFEDSA-N 0 0 451.562 4.543 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2Cc2cc(Br)cs2)cs1 ZINC001492678289 1066818292 /nfs/dbraw/zinc/81/82/92/1066818292.db2.gz WJOHIOSZFWSBBC-UHFFFAOYSA-N 0 0 452.447 4.887 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457369279 1066818332 /nfs/dbraw/zinc/81/83/32/1066818332.db2.gz VABZDCUNIBHXMR-KXNSMUHISA-N 0 0 454.970 4.790 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492678393 1066818328 /nfs/dbraw/zinc/81/83/28/1066818328.db2.gz JBXOVRPDVCSYRF-GOSISDBHSA-N 0 0 474.675 4.565 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678264 1066818359 /nfs/dbraw/zinc/81/83/59/1066818359.db2.gz VPIMTBBFSDULLR-SLYNCCJLSA-N 0 0 488.702 4.906 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCCc2ccccc2)cc1 ZINC001447525120 1066818468 /nfs/dbraw/zinc/81/84/68/1066818468.db2.gz VEUVLVPTVHDKPF-UHFFFAOYSA-N 0 0 451.592 4.622 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001492678546 1066818695 /nfs/dbraw/zinc/81/86/95/1066818695.db2.gz JXRKCFCYDCQWEP-UTKZUKDTSA-N 0 0 498.672 4.708 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001492678545 1066818832 /nfs/dbraw/zinc/81/88/32/1066818832.db2.gz JXRKCFCYDCQWEP-LAUBAEHRSA-N 0 0 498.672 4.708 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001457382289 1066819561 /nfs/dbraw/zinc/81/95/61/1066819561.db2.gz HEQNXWYMHONPHH-KRWDZBQOSA-N 0 0 452.624 4.561 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c1 ZINC001457386765 1066820046 /nfs/dbraw/zinc/82/00/46/1066820046.db2.gz MJQHDKQJIIXLJE-GFCCVEGCSA-N 0 0 459.370 4.579 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCc1ccc(C)nc1N1CCCC1 ZINC001447541279 1066820181 /nfs/dbraw/zinc/82/01/81/1066820181.db2.gz WQSGPBJRFDHMPY-UHFFFAOYSA-N 0 0 452.002 4.613 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1)c1ccccc1 ZINC001545997170 1066820285 /nfs/dbraw/zinc/82/02/85/1066820285.db2.gz KNWCJYIYIQWRTR-OAQYLSRUSA-N 0 0 452.672 4.758 20 0 JJADRN O=C(CSc1ccc(Br)cc1)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457390000 1066820639 /nfs/dbraw/zinc/82/06/39/1066820639.db2.gz ZJJRDWNDGDHBQQ-GOSISDBHSA-N 0 0 450.789 4.797 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(Oc4cccc(Br)c4)CC3)cc2C1 ZINC001447554544 1066820813 /nfs/dbraw/zinc/82/08/13/1066820813.db2.gz CETRLTAHBKHRLF-OAHLLOKOSA-N 0 0 459.384 4.748 20 0 JJADRN C[C@H](CC(=O)Nc1cc(Br)c(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC001457390833 1066820910 /nfs/dbraw/zinc/82/09/10/1066820910.db2.gz WCGIUBPCMPPILZ-SECBINFHSA-N 0 0 452.704 4.572 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC001447551613 1066821014 /nfs/dbraw/zinc/82/10/14/1066821014.db2.gz IGSLEKSFXKEUPD-UHFFFAOYSA-N 0 0 454.596 4.661 20 0 JJADRN C[C@H](CC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457394326 1066821401 /nfs/dbraw/zinc/82/14/01/1066821401.db2.gz PVHMGBNUTKVPOM-DZTNWFRXSA-N 0 0 479.662 4.708 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCc2ccc(F)c(F)c2)cs1 ZINC001492679329 1066821936 /nfs/dbraw/zinc/82/19/36/1066821936.db2.gz ZLVFFDJVZYCQAE-LJQANCHMSA-N 0 0 475.609 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)OCc3noc(-c4ccc(F)cc4)n3)ccc21 ZINC001457395893 1066822131 /nfs/dbraw/zinc/82/21/31/1066822131.db2.gz LYKJWRUSAZVRDY-UHFFFAOYSA-N 0 0 453.470 4.920 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC2CCC(F)(F)CC2)cs1 ZINC001492680543 1066823169 /nfs/dbraw/zinc/82/31/69/1066823169.db2.gz QWRYSNHTPDEJHD-AWEZNQCLSA-N 0 0 492.562 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2cccc(OCc3ccccc3)c2)[C@@H](F)C1 ZINC001457403264 1066823133 /nfs/dbraw/zinc/82/31/33/1066823133.db2.gz UMZRDXDSCOGGGR-XZOQPEGZSA-N 0 0 456.558 4.662 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001447569288 1066823175 /nfs/dbraw/zinc/82/31/75/1066823175.db2.gz HTTSEVVPYQWIBU-FQEVSTJZSA-N 0 0 456.587 4.523 20 0 JJADRN CON(C)S(=O)(=O)c1cccc(C(=O)N(c2ccccc2)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC001457400587 1066823216 /nfs/dbraw/zinc/82/32/16/1066823216.db2.gz MNKNTTBKYZYPQA-KRWDZBQOSA-N 0 0 458.967 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCCC(C)C)cs1 ZINC001492680719 1066823237 /nfs/dbraw/zinc/82/32/37/1066823237.db2.gz XRXTUKYLCXHHJD-QGZVFWFLSA-N 0 0 462.664 4.516 20 0 JJADRN Cc1cc(C)c(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)c(=O)[nH]1 ZINC001447572351 1066823755 /nfs/dbraw/zinc/82/37/55/1066823755.db2.gz GCGHZWOARSOJAW-JOCHJYFZSA-N 0 0 458.480 4.728 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCOC2CCCCCC2)cs1 ZINC001492681866 1066824159 /nfs/dbraw/zinc/82/41/59/1066824159.db2.gz JLCHEWVNFKYUMO-NRFANRHFSA-N 0 0 461.676 4.625 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(COc2ccc(F)cc2)o1 ZINC001457408503 1066824227 /nfs/dbraw/zinc/82/42/27/1066824227.db2.gz AESZJVDTBAKBCB-HXUWFJFHSA-N 0 0 457.807 4.831 20 0 JJADRN Cn1nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)c2c1CCCC2 ZINC001447574775 1066824343 /nfs/dbraw/zinc/82/43/43/1066824343.db2.gz IKEPPJRWUOUJOY-QFIPXVFZSA-N 0 0 457.496 4.694 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457410161 1066824703 /nfs/dbraw/zinc/82/47/03/1066824703.db2.gz DTPYOPAUPSSWEJ-JOCHJYFZSA-N 0 0 453.888 4.748 20 0 JJADRN CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)[C@@H](COC)Cc1ccccc1 ZINC001457411526 1066824849 /nfs/dbraw/zinc/82/48/49/1066824849.db2.gz ADMNHZHYNGHKMQ-OAQYLSRUSA-N 0 0 456.384 4.663 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Cc2csc(COc3ccccc3)n2)n1 ZINC001457412987 1066825311 /nfs/dbraw/zinc/82/53/11/1066825311.db2.gz VSVUKPXXHWEIET-UHFFFAOYSA-N 0 0 458.587 4.900 20 0 JJADRN COc1ccc(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)cc1-c1ccccn1 ZINC001457414327 1066825359 /nfs/dbraw/zinc/82/53/59/1066825359.db2.gz JFGQVVCLEQSGLL-NRFANRHFSA-N 0 0 450.844 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(C)(C)c2ccc(F)cc2)cs1 ZINC001492683344 1066825891 /nfs/dbraw/zinc/82/58/91/1066825891.db2.gz VOABGXLVUXWJIE-MRXNPFEDSA-N 0 0 457.619 4.754 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c1-c1ccc(Br)cc1 ZINC001457415250 1066825895 /nfs/dbraw/zinc/82/58/95/1066825895.db2.gz BBVUZUPWWKNCBG-UHFFFAOYSA-N 0 0 456.344 4.780 20 0 JJADRN COc1ccc(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)c(OC2CCCC2)c1 ZINC001457416484 1066826018 /nfs/dbraw/zinc/82/60/18/1066826018.db2.gz NRSIPZGAMBPQAH-NRFANRHFSA-N 0 0 457.876 4.850 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccc(F)cc4F)C3)n2CCSCC(C)C)cs1 ZINC001492683499 1066825939 /nfs/dbraw/zinc/82/59/39/1066825939.db2.gz ZSRWJOAURPKQGN-OAQYLSRUSA-N 0 0 493.649 4.879 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2CCCOCC(C)C)cs1 ZINC001492683305 1066826043 /nfs/dbraw/zinc/82/60/43/1066826043.db2.gz USESFQHKJFCGSH-JOCHJYFZSA-N 0 0 490.073 4.928 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001457414717 1066826065 /nfs/dbraw/zinc/82/60/65/1066826065.db2.gz LZLNBGCMKLBXNS-GOSISDBHSA-N 0 0 451.794 4.957 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(Br)cc2N)c1-c1ccc(Br)cc1 ZINC001457417108 1066826691 /nfs/dbraw/zinc/82/66/91/1066826691.db2.gz LYKIVIMMFIYGGJ-UHFFFAOYSA-N 0 0 450.134 4.745 20 0 JJADRN O=C(N[C@@H](CCO)c1ccccc1Br)c1cc2ccccc2n1CC(F)(F)F ZINC001447590868 1066826715 /nfs/dbraw/zinc/82/67/15/1066826715.db2.gz XKKXJQAQSSLKIO-INIZCTEOSA-N 0 0 455.274 4.820 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C(F)(F)F)CC[C@H]3C)c2)c1 ZINC001447594403 1066827199 /nfs/dbraw/zinc/82/71/99/1066827199.db2.gz JHOPKXBKQHRMJD-IAGOWNOFSA-N 0 0 454.514 4.907 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC001447600092 1066827378 /nfs/dbraw/zinc/82/73/78/1066827378.db2.gz AEFFNULDOOQRSK-NRFANRHFSA-N 0 0 457.933 4.651 20 0 JJADRN O=C(c1cccc2ccncc21)N1CCC(Oc2ccccc2I)CC1 ZINC001457422024 1066827867 /nfs/dbraw/zinc/82/78/67/1066827867.db2.gz MZKIEIBZCJSFRX-UHFFFAOYSA-N 0 0 458.299 4.523 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCC2(F)F)cs1 ZINC001492684174 1066828050 /nfs/dbraw/zinc/82/80/50/1066828050.db2.gz SNWVOAYVGCSTIL-IAGOWNOFSA-N 0 0 496.628 4.563 20 0 JJADRN 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457.600 4.744 20 0 JJADRN Cc1nc(CCn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)cc2Cl)cs1 ZINC001492691985 1066837615 /nfs/dbraw/zinc/83/76/15/1066837615.db2.gz MADMGDPLGSIIQS-UHFFFAOYSA-N 0 0 478.807 4.846 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001457471425 1066837876 /nfs/dbraw/zinc/83/78/76/1066837876.db2.gz FJJDORANFNONCM-HYJWCJBQSA-N 0 0 456.608 4.945 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c3c2CCCC3)cc1 ZINC001457469736 1066837988 /nfs/dbraw/zinc/83/79/88/1066837988.db2.gz UOTHOTUBAFHLTN-UHFFFAOYSA-N 0 0 454.615 4.682 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)cs1 ZINC001492692313 1066837952 /nfs/dbraw/zinc/83/79/52/1066837952.db2.gz WSBPIDXQERJJNK-QFIPXVFZSA-N 0 0 469.655 4.733 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccccc2)cs1 ZINC001492692524 1066837993 /nfs/dbraw/zinc/83/79/93/1066837993.db2.gz VZPCBEUGRKIVLF-FGZHOGPDSA-N 0 0 469.655 4.720 20 0 JJADRN CC[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Oc1cccc(C(F)(F)F)c1 ZINC001457471291 1066838502 /nfs/dbraw/zinc/83/85/02/1066838502.db2.gz YPORTSJSBKPGDQ-BTYIYWSLSA-N 0 0 450.482 4.608 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3C)CC2)cs1 ZINC001492693576 1066838739 /nfs/dbraw/zinc/83/87/39/1066838739.db2.gz IXVXCCZXOWSQQP-UHFFFAOYSA-N 0 0 470.662 4.644 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)CC2)cs1 ZINC001492693187 1066838804 /nfs/dbraw/zinc/83/88/04/1066838804.db2.gz ANGPNSCLDCIAAV-SFHVURJKSA-N 0 0 486.661 4.560 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C4CCCC4)n3CCCSCC(C)C)CC2)cs1 ZINC001492693454 1066838843 /nfs/dbraw/zinc/83/88/43/1066838843.db2.gz FDTBQIXYCMDANL-UHFFFAOYSA-N 0 0 462.733 4.802 20 0 JJADRN C[C@H]1c2ccccc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001457472094 1066839077 /nfs/dbraw/zinc/83/90/77/1066839077.db2.gz ORNZJOCOZHWFIE-KRWDZBQOSA-N 0 0 454.979 4.925 20 0 JJADRN O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447664000 1066839149 /nfs/dbraw/zinc/83/91/49/1066839149.db2.gz WEWYSUHGZPIYBY-UHFFFAOYSA-N 0 0 458.436 4.896 20 0 JJADRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC001447663227 1066839204 /nfs/dbraw/zinc/83/92/04/1066839204.db2.gz VPTGAEXTYZGWRL-BQYQJAHWSA-N 0 0 454.514 4.863 20 0 JJADRN O=C(c1cc2c(ccnc2Cl)s1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447663117 1066839247 /nfs/dbraw/zinc/83/92/47/1066839247.db2.gz UTKDAPUZFJAFPU-UHFFFAOYSA-N 0 0 456.873 4.972 20 0 JJADRN CC[C@H](CNC(=O)c1cccn2ncc(Br)c12)Oc1cccc(C(F)(F)F)c1 ZINC001457476981 1066839589 /nfs/dbraw/zinc/83/95/89/1066839589.db2.gz PPKWAQYDVXJWEJ-CYBMUJFWSA-N 0 0 456.262 4.703 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)s2)cc1 ZINC001457477205 1066840153 /nfs/dbraw/zinc/84/01/53/1066840153.db2.gz QITNNSOOJSJPKJ-LHEBDHONSA-N 0 0 456.589 4.580 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3ccccc3C)n2CCN(C)CC(F)(F)F)cs1 ZINC001492694844 1066840418 /nfs/dbraw/zinc/84/04/18/1066840418.db2.gz LXCFGOGUDFLTAG-HXUWFJFHSA-N 0 0 478.588 4.778 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)c12 ZINC001457483890 1066840635 /nfs/dbraw/zinc/84/06/35/1066840635.db2.gz YRYXTSUSBCRYOX-IWAYBZMOSA-N 0 0 452.605 4.576 20 0 JJADRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457483522 1066840720 /nfs/dbraw/zinc/84/07/20/1066840720.db2.gz MQBDIVOYOGDCRD-DOTOQJQBSA-N 0 0 456.892 4.679 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1)CC1CC1 ZINC001447683601 1066840770 /nfs/dbraw/zinc/84/07/70/1066840770.db2.gz XNXYTMUJNCVXDS-LJQANCHMSA-N 0 0 456.612 4.982 20 0 JJADRN CCCc1c(NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cnn1-c1ccc(C)cc1 ZINC001447686741 1066841518 /nfs/dbraw/zinc/84/15/18/1066841518.db2.gz GNNXJDBCUYXOKH-DYESRHJHSA-N 0 0 456.587 4.832 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccnc3)n2CCSCC(F)(F)F)cs1 ZINC001492695285 1066841720 /nfs/dbraw/zinc/84/17/20/1066841720.db2.gz VYWYZAKVIJOYRN-MRXNPFEDSA-N 0 0 454.547 4.742 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)nc1C(C)(C)C ZINC001457490835 1066841791 /nfs/dbraw/zinc/84/17/91/1066841791.db2.gz VBAQJYVMJVJQNT-OAHLLOKOSA-N 0 0 453.605 4.591 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c(Sc2ccccc2)c1 ZINC001457490833 1066842396 /nfs/dbraw/zinc/84/23/96/1066842396.db2.gz QJCUHWUTLIWINR-UHFFFAOYSA-N 0 0 459.615 4.715 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545999366 1066842655 /nfs/dbraw/zinc/84/26/55/1066842655.db2.gz LWQVRMAUYRPZPG-NRFANRHFSA-N 0 0 490.652 4.951 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447691947 1066842891 /nfs/dbraw/zinc/84/28/91/1066842891.db2.gz UMALDKNEQKSOLS-MRXNPFEDSA-N 0 0 457.752 4.703 20 0 JJADRN CN(C(=O)COC[C@@H]1CCCO1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001457493776 1066843017 /nfs/dbraw/zinc/84/30/17/1066843017.db2.gz VFRWKBJFZJSAPR-PZJWPPBQSA-N 0 0 452.776 4.846 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001492695768 1066843456 /nfs/dbraw/zinc/84/34/56/1066843456.db2.gz NAAGBTNAGRDHTL-LJQANCHMSA-N 0 0 497.669 4.921 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001457498328 1066843467 /nfs/dbraw/zinc/84/34/67/1066843467.db2.gz XZXYHUQKOHQQLS-HLNWXESRSA-N 0 0 454.533 4.953 20 0 JJADRN Cc1nn(-c2ccccc2)c2nc(C(=O)NCC[C@@H](O)c3ccc(Cl)c(Cl)c3)ccc12 ZINC001447694843 1066844026 /nfs/dbraw/zinc/84/40/26/1066844026.db2.gz SUVGFMRZHLSWCV-OAQYLSRUSA-N 0 0 455.345 4.889 20 0 JJADRN Cc1nn(-c2ccccc2)c2nc(C(=O)NCC[C@H](O)c3ccc(Cl)c(Cl)c3)ccc12 ZINC001447694838 1066844079 /nfs/dbraw/zinc/84/40/79/1066844079.db2.gz SUVGFMRZHLSWCV-NRFANRHFSA-N 0 0 455.345 4.889 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)nc2)s1 ZINC001492695887 1066844212 /nfs/dbraw/zinc/84/42/12/1066844212.db2.gz CMABPOPBQZLNDC-MRXNPFEDSA-N 0 0 498.056 4.982 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC001447703981 1066844552 /nfs/dbraw/zinc/84/45/52/1066844552.db2.gz WAARAHYEBKHQIG-NRFANRHFSA-N 0 0 459.974 4.537 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CC[C@H]2CCOC2)s1 ZINC001492695973 1066844608 /nfs/dbraw/zinc/84/46/08/1066844608.db2.gz SLHBPANMOOSECO-HNNXBMFYSA-N 0 0 462.417 4.536 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC001457503277 1066844661 /nfs/dbraw/zinc/84/46/61/1066844661.db2.gz INWPUVVQCIEVHC-UHFFFAOYSA-N 0 0 456.127 4.657 20 0 JJADRN Cc1cc2sc(NC(=O)c3cnn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)nc2c(C)c1 ZINC001457504251 1066845540 /nfs/dbraw/zinc/84/55/40/1066845540.db2.gz FJDMEAGKDBVTHN-QGZVFWFLSA-N 0 0 455.584 4.934 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)ccc2C)c1 ZINC001447714201 1066845746 /nfs/dbraw/zinc/84/57/46/1066845746.db2.gz AMFXEUFLGRTELO-QFIPXVFZSA-N 0 0 456.608 4.716 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCOC(C)C)s1 ZINC001492696232 1066845889 /nfs/dbraw/zinc/84/58/89/1066845889.db2.gz YSQYUJZLLYQLSB-UHFFFAOYSA-N 0 0 450.406 4.534 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Cc2nc(C3CCCCC3)cs2)cn1 ZINC001447716187 1066846434 /nfs/dbraw/zinc/84/64/34/1066846434.db2.gz HFKBWGWEKJTEJH-HSZRJFAPSA-N 0 0 452.624 4.712 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2C)s1 ZINC001492696374 1066846537 /nfs/dbraw/zinc/84/65/37/1066846537.db2.gz LPURBDGEMIBXLM-UHFFFAOYSA-N 0 0 471.428 4.988 20 0 JJADRN C[C@H](NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457509884 1066846707 /nfs/dbraw/zinc/84/67/07/1066846707.db2.gz NKZLGFQQMAJCQG-UPCLLVRISA-N 0 0 452.942 4.510 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)c2)n1 ZINC001457510505 1066847106 /nfs/dbraw/zinc/84/71/06/1066847106.db2.gz UOPQQKKTAPWACP-LJQANCHMSA-N 0 0 450.539 4.854 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CCOCC2)s1 ZINC001492696477 1066847165 /nfs/dbraw/zinc/84/71/65/1066847165.db2.gz NQRVLCBXKYIRTP-GOSISDBHSA-N 0 0 455.628 4.863 20 0 JJADRN CC(=O)Nc1ccc2nc(NC(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)sc2c1 ZINC001457512820 1066847227 /nfs/dbraw/zinc/84/72/27/1066847227.db2.gz FYOGUJDZUOVYOT-FDDCHVKYSA-N 0 0 458.584 4.763 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001457514040 1066847825 /nfs/dbraw/zinc/84/78/25/1066847825.db2.gz BIWXXHVYYPGCII-UHFFFAOYSA-N 0 0 451.882 4.509 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)CC2)cc(OC)c1 ZINC001457514156 1066847845 /nfs/dbraw/zinc/84/78/45/1066847845.db2.gz MNORYLNDHKZWBS-CLJLJLNGSA-N 0 0 450.623 4.958 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447727433 1066848224 /nfs/dbraw/zinc/84/82/24/1066848224.db2.gz MARQXPVRKNMLOI-NRFANRHFSA-N 0 0 452.636 4.822 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2OCCC2(C)C)s1 ZINC001492696871 1066848316 /nfs/dbraw/zinc/84/83/16/1066848316.db2.gz ZSJPFDUPQKGOPJ-MGPUTAFESA-N 0 0 459.591 4.774 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2CF)s1 ZINC001492696822 1066848406 /nfs/dbraw/zinc/84/84/06/1066848406.db2.gz YOXVVAJMLGXECK-MEDUHNTESA-N 0 0 454.344 4.779 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001457515161 1066848328 /nfs/dbraw/zinc/84/83/28/1066848328.db2.gz MXFLUXPSBYRBIF-KRWDZBQOSA-N 0 0 451.369 4.661 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 ZINC001545999864 1066848786 /nfs/dbraw/zinc/84/87/86/1066848786.db2.gz VKTMDYNCTJWGTQ-PMACEKPBSA-N 0 0 472.559 4.531 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(COC)CC1)Oc1ccccc1F ZINC001545999875 1066848833 /nfs/dbraw/zinc/84/88/33/1066848833.db2.gz VOTQXARNCCUQBZ-OAQYLSRUSA-N 0 0 467.589 4.514 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(COC)CC1)Oc1ccccc1F ZINC001545999874 1066848838 /nfs/dbraw/zinc/84/88/38/1066848838.db2.gz VOTQXARNCCUQBZ-NRFANRHFSA-N 0 0 467.589 4.514 20 0 JJADRN CCCc1c(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cnn1-c1ccc(F)cc1 ZINC001447735811 1066849494 /nfs/dbraw/zinc/84/94/94/1066849494.db2.gz QAIOMEPNXBIMOE-AHWVRZQESA-N 0 0 453.533 4.607 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)C1CCCC1)NC(=O)OC(C)(C)C ZINC001545999939 1066849548 /nfs/dbraw/zinc/84/95/48/1066849548.db2.gz XAOKOOGLKDXKTK-HXUWFJFHSA-N 0 0 471.646 4.950 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492697802 1066849624 /nfs/dbraw/zinc/84/96/24/1066849624.db2.gz DPBXCYQYAOREGX-INIZCTEOSA-N 0 0 469.014 4.786 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)s1 ZINC001492698209 1066850344 /nfs/dbraw/zinc/85/03/44/1066850344.db2.gz QBXJHLIWJRFSES-UHFFFAOYSA-N 0 0 462.664 4.668 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2cc(Cl)ccc2OC(F)F)s1 ZINC001492698174 1066850379 /nfs/dbraw/zinc/85/03/79/1066850379.db2.gz PFYXCEYEUVJWQS-UHFFFAOYSA-N 0 0 490.967 4.968 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCCC3)n2CC2CCN(CC(F)(F)F)CC2)s1 ZINC001492697768 1066850861 /nfs/dbraw/zinc/85/08/61/1066850861.db2.gz ZOWOXNJUQIOHDH-UHFFFAOYSA-N 0 0 456.582 4.611 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)[C@]12CCC[C@H]1OCC2 ZINC001457522114 1066850951 /nfs/dbraw/zinc/85/09/51/1066850951.db2.gz UJSIMEGNSYLQFR-NQIIRXRSSA-N 0 0 468.547 4.700 20 0 JJADRN O=C(CSCC(=O)c1ccccc1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001457520989 1066851001 /nfs/dbraw/zinc/85/10/01/1066851001.db2.gz TUJQLHIGLCDNST-UHFFFAOYSA-N 0 0 458.992 4.886 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001546000030 1066851340 /nfs/dbraw/zinc/85/13/40/1066851340.db2.gz YZVOBMXWPDRZMD-LEWJYISDSA-N 0 0 471.646 4.806 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCc1cccc2cc[nH]c21 ZINC001447744581 1066851623 /nfs/dbraw/zinc/85/16/23/1066851623.db2.gz OBNUGMWSYQNXHG-UHFFFAOYSA-N 0 0 452.308 4.635 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001457527197 1066852302 /nfs/dbraw/zinc/85/23/02/1066852302.db2.gz TWDVTXJYYQAWRL-LSDHHAIUSA-N 0 0 457.368 4.884 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)s1 ZINC001492698630 1066852342 /nfs/dbraw/zinc/85/23/42/1066852342.db2.gz FTYRHETZRAOIIX-UHFFFAOYSA-N 0 0 479.075 4.540 20 0 JJADRN O=C(NCCNc1nc2ccccc2s1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001457527958 1066852394 /nfs/dbraw/zinc/85/23/94/1066852394.db2.gz FEQFDJZBRKBAEH-UHFFFAOYSA-N 0 0 458.469 4.691 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCc2cccnc2)s1 ZINC001492698592 1066852449 /nfs/dbraw/zinc/85/24/49/1066852449.db2.gz CRHPDABYRARXIL-UHFFFAOYSA-N 0 0 454.987 4.550 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2nccs2)s1 ZINC001492698811 1066852987 /nfs/dbraw/zinc/85/29/87/1066852987.db2.gz MUPQSDOTXXJQIX-ZTFGCOKTSA-N 0 0 460.673 4.858 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3c(O)cnc4ccc(Cl)cc43)c2)c1C ZINC001457529317 1066853016 /nfs/dbraw/zinc/85/30/16/1066853016.db2.gz DAQHDSVKUYWISF-UHFFFAOYSA-N 0 0 450.882 4.517 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)s1 ZINC001492698750 1066853070 /nfs/dbraw/zinc/85/30/70/1066853070.db2.gz KHDZBDKRPUCSQR-FQEVSTJZSA-N 0 0 476.691 4.961 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)s1 ZINC001492699006 1066853563 /nfs/dbraw/zinc/85/35/63/1066853563.db2.gz UGNQBWZRELYTMY-TZIWHRDSSA-N 0 0 468.671 4.895 20 0 JJADRN CC(C)[C@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001447753375 1066853623 /nfs/dbraw/zinc/85/36/23/1066853623.db2.gz CFZNXZDMJBMVFT-IFMALSPDSA-N 0 0 458.647 4.597 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCCc3ccccc3)n2Cc2nccc(C(F)F)n2)s1 ZINC001492699126 1066854140 /nfs/dbraw/zinc/85/41/40/1066854140.db2.gz YODBOZUFEICTON-UHFFFAOYSA-N 0 0 469.565 4.631 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC(=O)N(C)C)CC2)s1 ZINC001492699294 1066854172 /nfs/dbraw/zinc/85/41/72/1066854172.db2.gz DRYROMOZNVQFAW-LJQANCHMSA-N 0 0 496.681 4.543 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCCOC(F)(F)F)s1 ZINC001492699082 1066854277 /nfs/dbraw/zinc/85/42/77/1066854277.db2.gz XITHUCILWDEKPH-UHFFFAOYSA-N 0 0 469.533 4.802 20 0 JJADRN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001447756870 1066854333 /nfs/dbraw/zinc/85/43/33/1066854333.db2.gz XKFMKLNVANCYAD-SXSPYAJSSA-N 0 0 455.599 4.711 20 0 JJADRN CCC1(CC)CN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)c2ccc(Br)cc21 ZINC001457536116 1066854218 /nfs/dbraw/zinc/85/42/18/1066854218.db2.gz DUALRAMQXJJLNH-OAHLLOKOSA-N 0 0 457.368 4.668 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(NC(=O)NC(C)C)cc2)s1 ZINC001492699068 1066854285 /nfs/dbraw/zinc/85/42/85/1066854285.db2.gz WOIRZWWICZSMIG-UHFFFAOYSA-N 0 0 495.678 4.910 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492699596 1066854815 /nfs/dbraw/zinc/85/48/15/1066854815.db2.gz MYMSGGIWBWVKMM-UHFFFAOYSA-N 0 0 475.338 4.628 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C(C)(C)C)C2)s1 ZINC001492699655 1066854883 /nfs/dbraw/zinc/85/48/83/1066854883.db2.gz OSKNTSSERJAMGB-CQSZACIVSA-N 0 0 463.449 4.732 20 0 JJADRN CCOCCC1(CNC(=O)Cn2nc(C)c3c2nc(C(C)C)cc3C(F)(F)F)CCCC1 ZINC001457538649 1066855042 /nfs/dbraw/zinc/85/50/42/1066855042.db2.gz PSNOEDQVOAWFLS-UHFFFAOYSA-N 0 0 454.537 4.985 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1COCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457540818 1066855671 /nfs/dbraw/zinc/85/56/71/1066855671.db2.gz LKJWSJQZXLFFIX-VSGBNLITSA-N 0 0 458.602 4.813 20 0 JJADRN COc1cccc(OC)c1COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001457541151 1066855862 /nfs/dbraw/zinc/85/58/62/1066855862.db2.gz IUMPDEQYBIJQOD-UUOWRZLLSA-N 0 0 451.544 4.911 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492700237 1066856238 /nfs/dbraw/zinc/85/62/38/1066856238.db2.gz IUFXAGLYGAATJV-QGZVFWFLSA-N 0 0 487.073 4.790 20 0 JJADRN CCOC(C)(C)CNC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447777957 1066856285 /nfs/dbraw/zinc/85/62/85/1066856285.db2.gz HERHKEPYVCBGLT-XMMPIXPASA-N 0 0 450.579 4.721 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001447777970 1066856339 /nfs/dbraw/zinc/85/63/39/1066856339.db2.gz HHZCJVBSYMWXTF-FOIQADDNSA-N 0 0 457.983 4.601 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC001447783721 1066856347 /nfs/dbraw/zinc/85/63/47/1066856347.db2.gz DRRSVOZMAWZKDR-UHFFFAOYSA-N 0 0 453.539 4.893 20 0 JJADRN O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1O ZINC001447787969 1066856975 /nfs/dbraw/zinc/85/69/75/1066856975.db2.gz YENBYXVHSAMKFB-QHCPKHFHSA-N 0 0 453.558 4.587 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001447785905 1066857198 /nfs/dbraw/zinc/85/71/98/1066857198.db2.gz NJDZGCFHODOOKP-AREMUKBSSA-N 0 0 450.529 4.502 20 0 JJADRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457545102 1066857350 /nfs/dbraw/zinc/85/73/50/1066857350.db2.gz QWFKZLIAQXLUFY-FAQZDJIUSA-N 0 0 458.602 4.917 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001447789450 1066857722 /nfs/dbraw/zinc/85/77/22/1066857722.db2.gz BJMLXPHPIXYYIT-OAHLLOKOSA-N 0 0 453.967 4.816 20 0 JJADRN C[C@H]1CCc2ccccc2N1CCNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001457546568 1066857790 /nfs/dbraw/zinc/85/77/90/1066857790.db2.gz BPVSIJLNLKLIPP-QFIPXVFZSA-N 0 0 455.602 4.630 20 0 JJADRN C[C@H]1CCc2ccccc2N1CCNC(=O)c1ccc(Br)cc1Br ZINC001457546367 1066857825 /nfs/dbraw/zinc/85/78/25/1066857825.db2.gz ALSKUIKHBKHKEP-ZDUSSCGKSA-N 0 0 452.190 4.783 20 0 JJADRN Cc1ncc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCCCCC2)s1 ZINC001492701210 1066857791 /nfs/dbraw/zinc/85/77/91/1066857791.db2.gz OFULPBDHGTWXAI-UHFFFAOYSA-N 0 0 474.675 4.976 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)Nc1nc(-c2sccc2Br)cs1 ZINC001457550306 1066858422 /nfs/dbraw/zinc/85/84/22/1066858422.db2.gz CKTDLKIQCCBLOQ-UHFFFAOYSA-N 0 0 456.774 4.656 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCO[C@H]3CCCC[C@@H]3C)CC2)s1 ZINC001492701717 1066858508 /nfs/dbraw/zinc/85/85/08/1066858508.db2.gz CZGHEPWTKCUFDT-UGKGYDQZSA-N 0 0 474.719 4.549 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001457550458 1066858683 /nfs/dbraw/zinc/85/86/83/1066858683.db2.gz BWBFQOFDSZFLGY-UHFFFAOYSA-N 0 0 459.819 4.930 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC001447793146 1066859074 /nfs/dbraw/zinc/85/90/74/1066859074.db2.gz CHOKABZSTCIUGF-HRAATJIYSA-N 0 0 454.514 4.776 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492701784 1066859361 /nfs/dbraw/zinc/85/93/61/1066859361.db2.gz GISUZAOBNVPQQG-OALUTQOASA-N 0 0 460.648 4.788 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001447793974 1066859716 /nfs/dbraw/zinc/85/97/16/1066859716.db2.gz KMOJTTYGMDXAEP-CVDCTZTESA-N 0 0 452.378 4.690 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001457554654 1066859854 /nfs/dbraw/zinc/85/98/54/1066859854.db2.gz JVMKQMIZYKLSRK-HXUWFJFHSA-N 0 0 452.580 4.670 20 0 JJADRN COc1cc(CCC(=O)NCCN2c3ccccc3CC[C@H]2C)ccc1OCC(F)(F)F ZINC001457557196 1066860508 /nfs/dbraw/zinc/86/05/08/1066860508.db2.gz PTSUDNSXPJCTDJ-QGZVFWFLSA-N 0 0 450.501 4.526 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)s1 ZINC001492702301 1066860536 /nfs/dbraw/zinc/86/05/36/1066860536.db2.gz BYZUTWBHTVRFKX-IBGZPJMESA-N 0 0 495.571 4.735 20 0 JJADRN Cc1ncc(Cn2c(N(C)Cc3ccc(F)c(Cl)c3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492702559 1066860775 /nfs/dbraw/zinc/86/07/75/1066860775.db2.gz IXFWYISCDATBLK-JOCHJYFZSA-N 0 0 480.009 4.561 20 0 JJADRN Cc1ncc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H]2CC=CCC2)s1 ZINC001492702700 1066861185 /nfs/dbraw/zinc/86/11/85/1066861185.db2.gz OBPVRZQQSLGQTE-QRVBRYPASA-N 0 0 472.659 4.655 20 0 JJADRN Cn1c(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1-c1ccc(Br)cc1 ZINC001447801321 1066861465 /nfs/dbraw/zinc/86/14/65/1066861465.db2.gz LYUZOSZTCZCQTH-LIRRHRJNSA-N 0 0 459.306 4.668 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)CC2)s1 ZINC001492703465 1066861781 /nfs/dbraw/zinc/86/17/81/1066861781.db2.gz RBCCHMDGHFNNNC-UHFFFAOYSA-N 0 0 484.617 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC001447802622 1066862250 /nfs/dbraw/zinc/86/22/50/1066862250.db2.gz ODGYNPQXMSLGDO-VGOFRKELSA-N 0 0 456.505 4.588 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC001492703889 1066862432 /nfs/dbraw/zinc/86/24/32/1066862432.db2.gz IQXDDQPXCUIDRA-HXUWFJFHSA-N 0 0 497.619 4.577 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)cn1 ZINC001492704203 1066862463 /nfs/dbraw/zinc/86/24/63/1066862463.db2.gz UHZJJJTVRGXJPS-UHFFFAOYSA-N 0 0 498.404 4.876 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(Cl)c(Cl)cc2OC)cc1 ZINC001457564167 1066862695 /nfs/dbraw/zinc/86/26/95/1066862695.db2.gz KTFBMGVDPSLWKH-CQSZACIVSA-N 0 0 453.366 4.788 20 0 JJADRN Cc1cc2ccccc2nc1C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC001447806365 1066862723 /nfs/dbraw/zinc/86/27/23/1066862723.db2.gz ZGJOEBMKUNJMGX-UHFFFAOYSA-N 0 0 457.368 4.728 20 0 JJADRN CC[C@@]1(C)Oc2ccc(NC(=O)CCOc3ccccc3I)cc2O1 ZINC001447809558 1066863799 /nfs/dbraw/zinc/86/37/99/1066863799.db2.gz AJLZOKXDWDGYDV-IBGZPJMESA-N 0 0 453.276 4.596 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704819 1066863938 /nfs/dbraw/zinc/86/39/38/1066863938.db2.gz NUXJRRXCIZVBMX-UGKGYDQZSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492705048 1066864054 /nfs/dbraw/zinc/86/40/54/1066864054.db2.gz UDGSPGDNGKIAEZ-UHFFFAOYSA-N 0 0 475.441 4.580 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC(C)C)C(C)C)cn1 ZINC001492704211 1066864083 /nfs/dbraw/zinc/86/40/83/1066864083.db2.gz UMXSSRUMBHTWHU-UHFFFAOYSA-N 0 0 497.445 4.844 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 ZINC001447810983 1066864311 /nfs/dbraw/zinc/86/43/11/1066864311.db2.gz GOSQXFHNSUXFHN-HSZRJFAPSA-N 0 0 458.345 4.993 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001457567213 1066864787 /nfs/dbraw/zinc/86/47/87/1066864787.db2.gz NDKMGKKYZORMCB-INIZCTEOSA-N 0 0 452.414 4.641 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001457567218 1066864801 /nfs/dbraw/zinc/86/48/01/1066864801.db2.gz NDKMGKKYZORMCB-MRXNPFEDSA-N 0 0 452.414 4.641 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1S(=O)(=O)Nc1ccccc1F ZINC001457567696 1066864862 /nfs/dbraw/zinc/86/48/62/1066864862.db2.gz JQDPCYDQZNWISL-UHFFFAOYSA-N 0 0 456.543 4.889 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(Cc2ccccc2Br)CC(C)C)cc1 ZINC001457567635 1066864915 /nfs/dbraw/zinc/86/49/15/1066864915.db2.gz OZLWEVWAHKUXJH-QFIPXVFZSA-N 0 0 457.412 4.933 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 ZINC001447812844 1066865062 /nfs/dbraw/zinc/86/50/62/1066865062.db2.gz NJBGAQKFWVAUOI-QHCPKHFHSA-N 0 0 456.951 4.515 20 0 JJADRN Cc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001457568839 1066865368 /nfs/dbraw/zinc/86/53/68/1066865368.db2.gz WRVZTCBJWGDYOQ-UHFFFAOYSA-N 0 0 456.942 4.735 20 0 JJADRN Cc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)cc1S(=O)(=O)NC1CCCC1 ZINC001457568608 1066865395 /nfs/dbraw/zinc/86/53/95/1066865395.db2.gz WCKMASWBLPUJOH-UHFFFAOYSA-N 0 0 456.942 4.781 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001447817697 1066865539 /nfs/dbraw/zinc/86/55/39/1066865539.db2.gz XRYWFEJVYGWJOR-HSZRJFAPSA-N 0 0 457.452 4.705 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc(CN(C)C)c(Br)c3)C2=O)cc1 ZINC001447819214 1066865577 /nfs/dbraw/zinc/86/55/77/1066865577.db2.gz QAMPCLIEDOBMOL-FQEVSTJZSA-N 0 0 458.400 4.626 20 0 JJADRN CN(C)Cc1ccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1Br ZINC001447818947 1066865669 /nfs/dbraw/zinc/86/56/69/1066865669.db2.gz PDSNXCLPNLCQGX-UHFFFAOYSA-N 0 0 453.336 4.700 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001457569157 1066865977 /nfs/dbraw/zinc/86/59/77/1066865977.db2.gz YAUJWDYYMXIALO-JOCHJYFZSA-N 0 0 459.590 4.959 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(N(C)CCOc3cccc(Cl)c3)nnc2C(C)(C)C)cn1 ZINC001492705998 1066866881 /nfs/dbraw/zinc/86/68/81/1066866881.db2.gz ZBJJWFAETMODJV-UHFFFAOYSA-N 0 0 480.016 4.682 20 0 JJADRN CNc1ncccc1C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001447831337 1066867018 /nfs/dbraw/zinc/86/70/18/1066867018.db2.gz AEBDEYKQZWGPRH-IFMALSPDSA-N 0 0 452.599 4.502 20 0 JJADRN CCOC(=O)c1ncc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)s1 ZINC001457571702 1066867154 /nfs/dbraw/zinc/86/71/54/1066867154.db2.gz FWISUCKIMIUIKB-UHFFFAOYSA-N 0 0 451.335 4.553 20 0 JJADRN O=C(Nc1ccc(Cl)cc1I)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001457571210 1066867225 /nfs/dbraw/zinc/86/72/25/1066867225.db2.gz FXAUUCCLTAKDMO-OAHLLOKOSA-N 0 0 457.695 4.755 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)C1 ZINC001447840445 1066867537 /nfs/dbraw/zinc/86/75/37/1066867537.db2.gz RAQDDUTWXGOGFL-FQEVSTJZSA-N 0 0 450.608 4.833 20 0 JJADRN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001457572801 1066867884 /nfs/dbraw/zinc/86/78/84/1066867884.db2.gz FQNGIIJCSYDBHZ-IEBWSBKVSA-N 0 0 468.985 4.891 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001492706299 1066868443 /nfs/dbraw/zinc/86/84/43/1066868443.db2.gz IVZGHKXAMVCJAB-CTNGQTDRSA-N 0 0 471.650 4.572 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492706357 1066868465 /nfs/dbraw/zinc/86/84/65/1066868465.db2.gz KLNVCOSGFOCWBS-NHCUHLMSSA-N 0 0 472.678 4.576 20 0 JJADRN Cc1nccn1CCCCn1c(N(Cc2cccs2)C[C@H]2CCCO2)nnc1C(C)(C)C ZINC001492706393 1066868491 /nfs/dbraw/zinc/86/84/91/1066868491.db2.gz LUUUKMKMVZAGKX-HXUWFJFHSA-N 0 0 456.660 4.808 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCCCN1Cc1cccnc1 ZINC001447845505 1066868469 /nfs/dbraw/zinc/86/84/69/1066868469.db2.gz ICEHJKCLTPNMNB-XZOQPEGZSA-N 0 0 456.428 4.726 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001457574804 1066868593 /nfs/dbraw/zinc/86/85/93/1066868593.db2.gz MRCNCIMJPXWFGW-KRWDZBQOSA-N 0 0 452.352 4.797 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001457576473 1066868898 /nfs/dbraw/zinc/86/88/98/1066868898.db2.gz ROLVNGSNBPJAKB-OAHLLOKOSA-N 0 0 457.155 4.703 20 0 JJADRN COCc1[nH]nc(NC(=O)CCSc2ccc3c(c2)OCCO3)c1-c1ccc(Cl)cc1 ZINC001457575592 1066868947 /nfs/dbraw/zinc/86/89/47/1066868947.db2.gz PVJYSWMVQDCYMG-UHFFFAOYSA-N 0 0 459.955 4.769 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccs1 ZINC001492707484 1066870670 /nfs/dbraw/zinc/87/06/70/1066870670.db2.gz XHQOANGIPBBDSA-OAHLLOKOSA-N 0 0 488.459 4.900 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492707245 1066870763 /nfs/dbraw/zinc/87/07/63/1066870763.db2.gz PFEMWFXMIMYDAY-OAHLLOKOSA-N 0 0 497.363 4.923 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)(F)F ZINC001492707342 1066870891 /nfs/dbraw/zinc/87/08/91/1066870891.db2.gz SHHHWMIXEPRPIP-OAHLLOKOSA-N 0 0 454.472 4.541 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001457582099 1066870902 /nfs/dbraw/zinc/87/09/02/1066870902.db2.gz GBNVWVZDFQIPMX-UHFFFAOYSA-N 0 0 450.579 4.991 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)nn1-c1ccc(C)cc1 ZINC001447859712 1066870836 /nfs/dbraw/zinc/87/08/36/1066870836.db2.gz PULUMOBBRMXVPG-NRFANRHFSA-N 0 0 458.331 4.604 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001447863757 1066871543 /nfs/dbraw/zinc/87/15/43/1066871543.db2.gz FYJCRJFQOXCDAA-IBGZPJMESA-N 0 0 452.311 4.732 20 0 JJADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1sc2cccc(F)c2c1Cl ZINC001457584344 1066871545 /nfs/dbraw/zinc/87/15/45/1066871545.db2.gz PERXGVDDUOAYTA-UHFFFAOYSA-N 0 0 452.382 4.899 20 0 JJADRN Cc1ccc(NC(=O)c2ccoc2Br)cc1S(=O)(=O)Nc1ccccc1F ZINC001457583866 1066871571 /nfs/dbraw/zinc/87/15/71/1066871571.db2.gz ZLPZVVDSUFDWJA-UHFFFAOYSA-N 0 0 453.289 4.543 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)CSc2ccc(C)cc2)C1(C)C ZINC001447863770 1066871693 /nfs/dbraw/zinc/87/16/93/1066871693.db2.gz GRIGUXXGZFUKOQ-PDOGEWKWSA-N 0 0 450.645 4.690 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(Cl)n3)C2)cc1 ZINC001457587762 1066872059 /nfs/dbraw/zinc/87/20/59/1066872059.db2.gz PEMXDXQKQIPXGG-CQSZACIVSA-N 0 0 454.880 4.736 20 0 JJADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(OCc2ccccc2)cs1 ZINC001457585842 1066872213 /nfs/dbraw/zinc/87/22/13/1066872213.db2.gz UTBVLNRYDMSUQW-UHFFFAOYSA-N 0 0 456.011 4.533 20 0 JJADRN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4cc(Br)ccc4c3)ccc21 ZINC001457587873 1066872284 /nfs/dbraw/zinc/87/22/84/1066872284.db2.gz NKAAEWLXHRVHEK-UHFFFAOYSA-N 0 0 459.365 4.567 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)Nc3cc(-c4ccccc4C)nn3CCO)oc21 ZINC001457589432 1066872838 /nfs/dbraw/zinc/87/28/38/1066872838.db2.gz AZKRCFKUXFCYME-UHFFFAOYSA-N 0 0 454.324 4.920 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccccc1 ZINC001457589116 1066872861 /nfs/dbraw/zinc/87/28/61/1066872861.db2.gz BPRWTSQFXUGHGS-DEOSSOPVSA-N 0 0 458.558 4.595 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001447870082 1066872812 /nfs/dbraw/zinc/87/28/12/1066872812.db2.gz PHKBHQDILCKBGO-GOSISDBHSA-N 0 0 454.695 4.775 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001447874312 1066872823 /nfs/dbraw/zinc/87/28/23/1066872823.db2.gz WQPJWBYMRFUFIA-BLLLJJGKSA-N 0 0 458.340 4.574 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1 ZINC001447874207 1066872930 /nfs/dbraw/zinc/87/29/30/1066872930.db2.gz UUZFISSQXCGMBE-YHAMSUFESA-N 0 0 454.455 4.942 20 0 JJADRN Cc1nccn1CCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492709049 1066873063 /nfs/dbraw/zinc/87/30/63/1066873063.db2.gz VHHZNKVWBZVANR-UHFFFAOYSA-N 0 0 461.408 4.598 20 0 JJADRN Cc1nccn1CCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492708939 1066873133 /nfs/dbraw/zinc/87/31/33/1066873133.db2.gz QQTMEQKZJUQKRS-HHHXNRCGSA-N 0 0 464.658 4.690 20 0 JJADRN Cc1ccnc(N2CCN(C(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC001457591063 1066873388 /nfs/dbraw/zinc/87/33/88/1066873388.db2.gz CVUDTERGASRXMJ-QGZVFWFLSA-N 0 0 456.999 4.669 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2S1 ZINC001457591299 1066873429 /nfs/dbraw/zinc/87/34/29/1066873429.db2.gz HZEZIGZXBNRWBJ-UHFFFAOYSA-N 0 0 451.013 4.656 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001546001089 1066873359 /nfs/dbraw/zinc/87/33/59/1066873359.db2.gz GYHNENYYXDCZSQ-DBXWQHBBSA-N 0 0 455.603 4.591 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC001546001146 1066873999 /nfs/dbraw/zinc/87/39/99/1066873999.db2.gz HUCRFUKLRUMFGM-UPVQGACJSA-N 0 0 488.680 4.835 20 0 JJADRN Cc1ccc(CNC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)c(OCC2CC2)c1 ZINC001457593964 1066874089 /nfs/dbraw/zinc/87/40/89/1066874089.db2.gz HWYVYCWMRKUGKA-UHFFFAOYSA-N 0 0 450.579 4.887 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)[C@H](C)Sc1ccc(Br)cc1)c1ccccc1 ZINC001457595223 1066874129 /nfs/dbraw/zinc/87/41/29/1066874129.db2.gz IFKNOTZBVJLABF-KSSFIOAISA-N 0 0 450.398 4.986 20 0 JJADRN O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447899711 1066874221 /nfs/dbraw/zinc/87/42/21/1066874221.db2.gz IKJIIMYYIHSTNN-IBGZPJMESA-N 0 0 453.823 4.897 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(F)cc2Br)nnc1N(CC(C)C)C(C)C ZINC001492710122 1066874450 /nfs/dbraw/zinc/87/44/50/1066874450.db2.gz DUPMVZOKZRBZOO-UHFFFAOYSA-N 0 0 463.399 4.923 20 0 JJADRN CCCCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001457594613 1066874576 /nfs/dbraw/zinc/87/45/76/1066874576.db2.gz PBAMHBNJAWLBIY-UZLBHIALSA-N 0 0 456.530 4.810 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492710086 1066874617 /nfs/dbraw/zinc/87/46/17/1066874617.db2.gz CMCDKUOLHSRPLY-SFHVURJKSA-N 0 0 455.404 4.705 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CCC1 ZINC001447903551 1066874639 /nfs/dbraw/zinc/87/46/39/1066874639.db2.gz HDUPQTXPESKWJK-IBGZPJMESA-N 0 0 452.954 4.701 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Nc2ccccc2OC)cc1)c1ccc(OC)c(Cl)c1 ZINC001447903711 1066874738 /nfs/dbraw/zinc/87/47/38/1066874738.db2.gz KGNJIAANXVAELO-JOCHJYFZSA-N 0 0 454.910 4.745 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)C2)c1 ZINC001447904765 1066874887 /nfs/dbraw/zinc/87/48/87/1066874887.db2.gz LTPVDZNOFKMUNS-VGSWGCGISA-N 0 0 459.949 4.632 20 0 JJADRN O=C(NCCc1nc2cc(Cl)ccc2s1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457597225 1066875369 /nfs/dbraw/zinc/87/53/69/1066875369.db2.gz WHIMCCMDNXHBHM-IBGZPJMESA-N 0 0 457.983 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC001447907446 1066875489 /nfs/dbraw/zinc/87/54/89/1066875489.db2.gz YIZKRBALHOMTJB-FQEVSTJZSA-N 0 0 454.970 4.806 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC001457605104 1066875820 /nfs/dbraw/zinc/87/58/20/1066875820.db2.gz IEYWSFRCZBVTTH-UHFFFAOYSA-N 0 0 452.711 4.658 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO ZINC001457603317 1066876054 /nfs/dbraw/zinc/87/60/54/1066876054.db2.gz BKUMLLLTRJVEEL-LBPRGKRZSA-N 0 0 454.741 4.909 20 0 JJADRN Cn1c(C(=O)Nc2nc(Br)ccc2O)ccc1-c1ccc(Br)cc1 ZINC001447929392 1066877520 /nfs/dbraw/zinc/87/75/20/1066877520.db2.gz MSIARHSXGMXKEP-UHFFFAOYSA-N 0 0 451.118 4.570 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492713404 1066879032 /nfs/dbraw/zinc/87/90/32/1066879032.db2.gz ITRMATKEKGCNNT-OKILXGFUSA-N 0 0 491.434 4.518 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546092457 1066879145 /nfs/dbraw/zinc/87/91/45/1066879145.db2.gz AECDTXUPIFBYDI-QFIPXVFZSA-N 0 0 457.585 4.605 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447943655 1066879318 /nfs/dbraw/zinc/87/93/18/1066879318.db2.gz LMUDBXKBBLIZFK-RXVVDRJESA-N 0 0 451.350 4.915 20 0 JJADRN COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc12 ZINC001447942673 1066879407 /nfs/dbraw/zinc/87/94/07/1066879407.db2.gz XLQORUQRHCIRNS-UHFFFAOYSA-N 0 0 456.464 4.902 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447943658 1066879419 /nfs/dbraw/zinc/87/94/19/1066879419.db2.gz LMUDBXKBBLIZFK-WIYYLYMNSA-N 0 0 451.350 4.915 20 0 JJADRN CCCOc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)c(OC(C)C)c1 ZINC001447941852 1066879437 /nfs/dbraw/zinc/87/94/37/1066879437.db2.gz DGEFDNDCUFYXFM-UHFFFAOYSA-N 0 0 450.535 4.729 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOC(C)(C)C ZINC001492713506 1066879691 /nfs/dbraw/zinc/87/96/91/1066879691.db2.gz MCGUUHAZSXBKFN-UHFFFAOYSA-N 0 0 450.631 4.835 20 0 JJADRN Cc1sc([C@H](C)NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(Cl)cc1 ZINC001457615716 1066879738 /nfs/dbraw/zinc/87/97/38/1066879738.db2.gz OGOORQQXBGBWML-OANVXVOSSA-N 0 0 450.969 4.659 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1nccnc1C ZINC001492713580 1066879841 /nfs/dbraw/zinc/87/98/41/1066879841.db2.gz OFMUBZHFEZJBQC-UHFFFAOYSA-N 0 0 485.361 4.726 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457615208 1066879845 /nfs/dbraw/zinc/87/98/45/1066879845.db2.gz NENNXDWMROEUNS-CXAGYDPISA-N 0 0 453.324 4.605 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001447946932 1066879941 /nfs/dbraw/zinc/87/99/41/1066879941.db2.gz QBEHSZLGGPOICW-UHFFFAOYSA-N 0 0 455.961 4.551 20 0 JJADRN CSCc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC001447945562 1066879952 /nfs/dbraw/zinc/87/99/52/1066879952.db2.gz NYYBKTDZWDJWMB-UHFFFAOYSA-N 0 0 458.580 4.728 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001492713665 1066880225 /nfs/dbraw/zinc/88/02/25/1066880225.db2.gz RFKQGOYWUCQKFV-UHFFFAOYSA-N 0 0 465.964 4.889 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)Nc3cc(-c4ccc(C(C)(C)C)cc4)no3)c(C)n2n1 ZINC001457616807 1066880270 /nfs/dbraw/zinc/88/02/70/1066880270.db2.gz OSYDKJSIIHBPQZ-UHFFFAOYSA-N 0 0 450.568 4.597 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492713787 1066880317 /nfs/dbraw/zinc/88/03/17/1066880317.db2.gz WCUVNUFINPOHMV-CZUORRHYSA-N 0 0 450.896 4.574 20 0 JJADRN CC(C)[C@H](CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC001447950830 1066880527 /nfs/dbraw/zinc/88/05/27/1066880527.db2.gz FFDSZBJFKBBHMA-UZTOHYMASA-N 0 0 450.442 4.968 20 0 JJADRN Cc1nccnc1CCn1c(N(C)CCCc2cc(-c3ccc(F)cc3)no2)nnc1C(C)(C)C ZINC001492714039 1066880972 /nfs/dbraw/zinc/88/09/72/1066880972.db2.gz AVGPCTBRQBKSLG-UHFFFAOYSA-N 0 0 477.588 4.780 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492714362 1066880988 /nfs/dbraw/zinc/88/09/88/1066880988.db2.gz HWNPPSPOQRJKDI-HZPDHXFCSA-N 0 0 475.424 4.987 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001457618798 1066880959 /nfs/dbraw/zinc/88/09/59/1066880959.db2.gz MIZSKHFFCFGOGB-FQEVSTJZSA-N 0 0 454.998 4.933 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N1CCN(c2cncc3ccccc32)CC1 ZINC001447953008 1066881195 /nfs/dbraw/zinc/88/11/95/1066881195.db2.gz KWRLMAHVMITGMK-UHFFFAOYSA-N 0 0 454.368 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001447953094 1066881283 /nfs/dbraw/zinc/88/12/83/1066881283.db2.gz AYVOXDPBUYIHRS-ZWKOTPCHSA-N 0 0 453.421 4.970 20 0 JJADRN Cc1nccnc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001492714753 1066881389 /nfs/dbraw/zinc/88/13/89/1066881389.db2.gz QGORBWWUDMIDII-ILWGZMRPSA-N 0 0 491.640 4.587 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 ZINC001492714569 1066881416 /nfs/dbraw/zinc/88/14/16/1066881416.db2.gz NMARYZYVSIJGLU-UHFFFAOYSA-N 0 0 490.420 4.598 20 0 JJADRN Cc1nccnc1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C ZINC001492714534 1066881446 /nfs/dbraw/zinc/88/14/46/1066881446.db2.gz LWQMGQHSAGVBFL-OAHLLOKOSA-N 0 0 461.060 4.507 20 0 JJADRN Cc1nccnc1CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001492714388 1066881452 /nfs/dbraw/zinc/88/14/52/1066881452.db2.gz IQCAOELDPFBVIX-SFHVURJKSA-N 0 0 454.569 4.893 20 0 JJADRN Cc1nccnc1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C ZINC001492714533 1066881514 /nfs/dbraw/zinc/88/15/14/1066881514.db2.gz LWQMGQHSAGVBFL-HNNXBMFYSA-N 0 0 461.060 4.507 20 0 JJADRN Cc1ccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c(OC[C@H]2CCOC2)c1 ZINC001457618926 1066881577 /nfs/dbraw/zinc/88/15/77/1066881577.db2.gz AYSBTPKKDBDWGC-FQEVSTJZSA-N 0 0 454.567 4.616 20 0 JJADRN O=C(C[C@H]1OCc2cc(Cl)ccc21)Nc1n[nH]c(-c2ccc(Br)cc2F)n1 ZINC001457619099 1066881605 /nfs/dbraw/zinc/88/16/05/1066881605.db2.gz COADCKNTPJXFCY-OAHLLOKOSA-N 0 0 451.683 4.627 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCc4ccccc4[C@H]3C(C)C)cc2)cc1 ZINC001457619375 1066881735 /nfs/dbraw/zinc/88/17/35/1066881735.db2.gz ZQQNYPDXJJPYDH-MUUNZHRXSA-N 0 0 456.586 4.950 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492715445 1066881911 /nfs/dbraw/zinc/88/19/11/1066881911.db2.gz YGYSBHUVAHMQLJ-NRFANRHFSA-N 0 0 488.558 4.805 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)on2)CC1 ZINC001447956353 1066882321 /nfs/dbraw/zinc/88/23/21/1066882321.db2.gz FWTPBGSBPIHCBR-CTNGQTDRSA-N 0 0 453.583 4.930 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1ccc(Nc2nc(C)cs2)cc1)C(F)(F)F ZINC001457621351 1066882820 /nfs/dbraw/zinc/88/28/20/1066882820.db2.gz QJKLJJMKPOFSPV-FQEVSTJZSA-N 0 0 450.486 4.949 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1cccs1 ZINC001492716968 1066883118 /nfs/dbraw/zinc/88/31/18/1066883118.db2.gz FLKYNXNBPXRBKC-UHFFFAOYSA-N 0 0 485.455 4.999 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001457622194 1066883220 /nfs/dbraw/zinc/88/32/20/1066883220.db2.gz JIKJLENYQYFENB-JTQLQIEISA-N 0 0 450.226 4.856 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001447961689 1066883263 /nfs/dbraw/zinc/88/32/63/1066883263.db2.gz FGLZGVIATGEGQP-KRWDZBQOSA-N 0 0 454.533 4.798 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC1(C)C ZINC001492717194 1066883319 /nfs/dbraw/zinc/88/33/19/1066883319.db2.gz MPVWQLNRVGVMCD-CQSZACIVSA-N 0 0 463.449 4.802 20 0 JJADRN C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc2S1 ZINC001457622616 1066883811 /nfs/dbraw/zinc/88/38/11/1066883811.db2.gz VQCOVYOVHNIQGX-IBGZPJMESA-N 0 0 458.649 4.711 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492717346 1066884201 /nfs/dbraw/zinc/88/42/01/1066884201.db2.gz ACTJQVBNOWQTRA-UHFFFAOYSA-N 0 0 473.478 4.533 20 0 JJADRN COc1c2ccccc2oc1CNC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001447966763 1066884413 /nfs/dbraw/zinc/88/44/13/1066884413.db2.gz IECSPBFGPVNYAM-OAQYLSRUSA-N 0 0 459.502 4.650 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC[C@H](C)C1 ZINC001492717311 1066884401 /nfs/dbraw/zinc/88/44/01/1066884401.db2.gz QSGAFLOFDKGGKU-YJBOKZPZSA-N 0 0 458.557 4.969 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccsc1 ZINC001492717632 1066884863 /nfs/dbraw/zinc/88/48/63/1066884863.db2.gz VHZRDSYKBLJCJF-GOSISDBHSA-N 0 0 468.602 4.848 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001492717763 1066884872 /nfs/dbraw/zinc/88/48/72/1066884872.db2.gz VPIQOMWOPANRTC-CZUORRHYSA-N 0 0 493.475 4.571 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1CCC1(C)CC1 ZINC001492717774 1066884931 /nfs/dbraw/zinc/88/49/31/1066884931.db2.gz VVYLPSLKQVCMQB-UHFFFAOYSA-N 0 0 463.449 4.946 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001457629934 1066885431 /nfs/dbraw/zinc/88/54/31/1066885431.db2.gz AGHRQYGYSJBAEG-UHFFFAOYSA-N 0 0 455.530 4.724 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001447971507 1066885455 /nfs/dbraw/zinc/88/54/55/1066885455.db2.gz LOUVZBAWNJYXOF-TUNNFDKTSA-N 0 0 452.599 4.885 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C(F)(F)F ZINC001492717820 1066885561 /nfs/dbraw/zinc/88/55/61/1066885561.db2.gz XKFQNUVQKNYWLG-UHFFFAOYSA-N 0 0 455.916 4.569 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc(OC)c1OC ZINC001447972479 1066885685 /nfs/dbraw/zinc/88/56/85/1066885685.db2.gz LZMHBOVRPVLRJG-BDTNDASRSA-N 0 0 451.563 4.860 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCC3N=NC(=S)N3C3CC3)cc2)cc1 ZINC001457631129 1066886062 /nfs/dbraw/zinc/88/60/62/1066886062.db2.gz IBWFJGJNQYAFMZ-UHFFFAOYSA-N 0 0 450.608 4.751 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001447975428 1066886117 /nfs/dbraw/zinc/88/61/17/1066886117.db2.gz VGWWIJRJTHSYGJ-FQEVSTJZSA-N 0 0 454.368 4.605 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCc2ccccc2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001492718319 1066886774 /nfs/dbraw/zinc/88/67/74/1066886774.db2.gz APGFMVUKQUQDKH-CJFMBICVSA-N 0 0 464.658 4.645 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccs1)NC(=O)OC(C)(C)C ZINC001546001871 1066886716 /nfs/dbraw/zinc/88/67/16/1066886716.db2.gz VJFNKIPSLUEFLQ-UXHICEINSA-N 0 0 482.654 4.970 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccs1)NC(=O)OC(C)(C)C ZINC001546001870 1066886792 /nfs/dbraw/zinc/88/67/92/1066886792.db2.gz VJFNKIPSLUEFLQ-PMACEKPBSA-N 0 0 482.654 4.970 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001457631668 1066886978 /nfs/dbraw/zinc/88/69/78/1066886978.db2.gz FIJFTHLZLQNKQW-OAQYLSRUSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1NC(=O)c1ccccc1F ZINC001457631544 1066886994 /nfs/dbraw/zinc/88/69/94/1066886994.db2.gz CUCXLJFFRLMEAN-UHFFFAOYSA-N 0 0 455.489 4.849 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCSC1 ZINC001492718685 1066887242 /nfs/dbraw/zinc/88/72/42/1066887242.db2.gz OLOSDJCQQVPNHI-HXUWFJFHSA-N 0 0 482.698 4.894 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001457633546 1066887428 /nfs/dbraw/zinc/88/74/28/1066887428.db2.gz MKVPPMXVDGGBGO-NRFANRHFSA-N 0 0 457.288 4.634 20 0 JJADRN O=C(Nc1cc(-c2ccccc2Br)no1)[C@H](c1ccccc1)N1CCCCC1=O ZINC001457632907 1066887451 /nfs/dbraw/zinc/88/74/51/1066887451.db2.gz OYIMCQQRSMTQCV-NRFANRHFSA-N 0 0 454.324 4.796 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001492718762 1066887816 /nfs/dbraw/zinc/88/78/16/1066887816.db2.gz RLILQLCRVSKNAB-VWLOTQADSA-N 0 0 471.049 4.559 20 0 JJADRN O=C(c1ccc(Cl)nc1F)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447982509 1066887965 /nfs/dbraw/zinc/88/79/65/1066887965.db2.gz LHMOFTKRZTXZJD-GOSISDBHSA-N 0 0 450.844 4.852 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1 ZINC001457634621 1066888139 /nfs/dbraw/zinc/88/81/39/1066888139.db2.gz JLRPVZNJPVZYLA-URXFXBBRSA-N 0 0 450.485 4.569 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC001447983023 1066888096 /nfs/dbraw/zinc/88/80/96/1066888096.db2.gz PUIXPWXLZDQNTN-UHFFFAOYSA-N 0 0 450.535 4.618 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492719149 1066888340 /nfs/dbraw/zinc/88/83/40/1066888340.db2.gz DIBXBSABTOACNC-HTAPYJJXSA-N 0 0 485.677 4.568 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](C)Cc1cccs1 ZINC001492719081 1066888409 /nfs/dbraw/zinc/88/84/09/1066888409.db2.gz ZCVCHBMBMMWMDR-KRWDZBQOSA-N 0 0 466.630 4.935 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)c1 ZINC001457637293 1066888438 /nfs/dbraw/zinc/88/84/38/1066888438.db2.gz XQEPCPCHPOSTIB-LBPRGKRZSA-N 0 0 450.429 4.670 20 0 JJADRN COc1cccnc1C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC001457635752 1066888609 /nfs/dbraw/zinc/88/86/09/1066888609.db2.gz SRGJOQQROSIZJO-UHFFFAOYSA-N 0 0 452.264 4.789 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001492719649 1066888895 /nfs/dbraw/zinc/88/88/95/1066888895.db2.gz RJRCFGUXKFGACS-VQIMIIECSA-N 0 0 450.631 4.786 20 0 JJADRN COc1ccc(OCCC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001448000913 1066889105 /nfs/dbraw/zinc/88/91/05/1066889105.db2.gz GOMAWIZRAGPNRZ-JOCHJYFZSA-N 0 0 455.352 4.722 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001457638454 1066889138 /nfs/dbraw/zinc/88/91/38/1066889138.db2.gz PTNDVEUDRCCFIX-FQEVSTJZSA-N 0 0 456.876 4.586 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC001457637547 1066889190 /nfs/dbraw/zinc/88/91/90/1066889190.db2.gz YLUCOZVJEXPNLS-HNNXBMFYSA-N 0 0 459.955 4.856 20 0 JJADRN O=C(N[C@H](CCCCc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001457637584 1066889256 /nfs/dbraw/zinc/88/92/56/1066889256.db2.gz MELGWCCZMGTZHS-RUZDIDTESA-N 0 0 455.558 4.623 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccc2ncsc2c1 ZINC001448001942 1066889269 /nfs/dbraw/zinc/88/92/69/1066889269.db2.gz CYZWBXNLBPILOG-HNNXBMFYSA-N 0 0 453.564 4.917 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001492720225 1066889450 /nfs/dbraw/zinc/88/94/50/1066889450.db2.gz IYTLVNUNUZWAOW-BPQIPLTHSA-N 0 0 475.062 4.800 20 0 JJADRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001457640791 1066889620 /nfs/dbraw/zinc/88/96/20/1066889620.db2.gz UMXBDVDCMDMUSM-IRLDBZIGSA-N 0 0 456.876 4.660 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001457640760 1066889630 /nfs/dbraw/zinc/88/96/30/1066889630.db2.gz UFNNSWAONMLLCG-KNQAVFIVSA-N 0 0 453.311 4.920 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 ZINC001457641024 1066889705 /nfs/dbraw/zinc/88/97/05/1066889705.db2.gz YIRDDQSWZQZJGB-OAQYLSRUSA-N 0 0 456.587 4.705 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1cccs1 ZINC001492720524 1066889968 /nfs/dbraw/zinc/88/99/68/1066889968.db2.gz RDPADGAUFPPOLF-QGZVFWFLSA-N 0 0 498.056 4.519 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1C ZINC001492720526 1066890059 /nfs/dbraw/zinc/89/00/59/1066890059.db2.gz RFFFZGDJACNAPP-APWZRJJASA-N 0 0 457.022 4.933 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492720466 1066890068 /nfs/dbraw/zinc/89/00/68/1066890068.db2.gz PNAIILYRJQAPLN-FCEWJHQRSA-N 0 0 457.022 4.952 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3c(CC)nc4ccccc43)C2)cc1 ZINC001448014724 1066890382 /nfs/dbraw/zinc/89/03/82/1066890382.db2.gz FXXFTOYNMBHPAZ-HXUWFJFHSA-N 0 0 453.608 4.650 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)c2nc[nH]c2C)cc1OC ZINC001448021828 1066890834 /nfs/dbraw/zinc/89/08/34/1066890834.db2.gz AOJAREFEUPBNOO-UHFFFAOYSA-N 0 0 451.914 4.553 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492721167 1066892276 /nfs/dbraw/zinc/89/22/76/1066892276.db2.gz NWSIAHMSIIXTTM-FQEVSTJZSA-N 0 0 477.440 4.902 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@H](COc3c(C)cccc3C)c3ccccc3)CC2=O)cc1 ZINC001457662550 1066892592 /nfs/dbraw/zinc/89/25/92/1066892592.db2.gz LQEADIPYIAEQIX-WIOPSUGQSA-N 0 0 458.558 4.601 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001457662414 1066892623 /nfs/dbraw/zinc/89/26/23/1066892623.db2.gz VYMOEQVDWPJXLX-LRDDRELGSA-N 0 0 459.413 4.826 20 0 JJADRN NS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)ccc1F ZINC001448031238 1066892719 /nfs/dbraw/zinc/89/27/19/1066892719.db2.gz NKFOCEYQBRDQKK-UHFFFAOYSA-N 0 0 454.401 4.537 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492721323 1066892713 /nfs/dbraw/zinc/89/27/13/1066892713.db2.gz USOVJBOEORWEHD-ZIAGYGMSSA-N 0 0 475.410 4.870 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001448029209 1066892824 /nfs/dbraw/zinc/89/28/24/1066892824.db2.gz QAFJOYZIURAQCO-UHFFFAOYSA-N 0 0 459.946 4.647 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492721490 1066893246 /nfs/dbraw/zinc/89/32/46/1066893246.db2.gz AFRHXWHVWCMJJD-YADHBBJMSA-N 0 0 499.704 4.664 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1)C(=O)OC(C)(C)C ZINC001457665457 1066893178 /nfs/dbraw/zinc/89/31/78/1066893178.db2.gz OSMNPKRBGRTHFL-KNKQGSTJSA-N 0 0 456.608 4.777 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H](C1CCCCC1)C2 ZINC001457664229 1066893337 /nfs/dbraw/zinc/89/33/37/1066893337.db2.gz QAADMAWDMVDLJT-AVRWGWEMSA-N 0 0 455.620 4.736 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 ZINC001492722542 1066893748 /nfs/dbraw/zinc/89/37/48/1066893748.db2.gz GLFMVUYFSJWJGH-CQSZACIVSA-N 0 0 463.076 4.564 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492722786 1066893848 /nfs/dbraw/zinc/89/38/48/1066893848.db2.gz PFLKVCRGWJXYIV-BFUOFWGJSA-N 0 0 482.938 4.544 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001448050163 1066893974 /nfs/dbraw/zinc/89/39/74/1066893974.db2.gz PTDAIQFOUDGGDN-QZNHQXDQSA-N 0 0 468.594 4.514 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)n2)n1 ZINC001448052240 1066893996 /nfs/dbraw/zinc/89/39/96/1066893996.db2.gz GCVVICCRHNBMRX-UHFFFAOYSA-N 0 0 459.362 4.886 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)c2N1 ZINC001448052183 1066894105 /nfs/dbraw/zinc/89/41/05/1066894105.db2.gz FHTOHGRXBHLJHL-NOZJJQNGSA-N 0 0 456.881 4.539 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C1 ZINC001457671023 1066894402 /nfs/dbraw/zinc/89/44/02/1066894402.db2.gz TUOUABVGQNVQPV-RDJZCZTQSA-N 0 0 454.564 4.831 20 0 JJADRN Cc1nc2ccnn2c(C)c1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457669784 1066894409 /nfs/dbraw/zinc/89/44/09/1066894409.db2.gz RSBUBSUPZWJGAS-GFCCVEGCSA-N 0 0 456.369 4.723 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001492722967 1066894356 /nfs/dbraw/zinc/89/43/56/1066894356.db2.gz WISACHXOVQLPPP-HNNXBMFYSA-N 0 0 456.566 4.805 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)n(C)n1 ZINC001492723799 1066894784 /nfs/dbraw/zinc/89/47/84/1066894784.db2.gz BYJRIHAAUMLOPV-OAHLLOKOSA-N 0 0 482.938 4.940 20 0 JJADRN Cc1nn(CC(F)(F)F)cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001448060917 1066895172 /nfs/dbraw/zinc/89/51/72/1066895172.db2.gz AAEXQAAQXFIOQD-CYBMUJFWSA-N 0 0 458.200 4.940 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 ZINC001457678559 1066895380 /nfs/dbraw/zinc/89/53/80/1066895380.db2.gz ZBEJEYJLLNTWKY-UHFFFAOYSA-N 0 0 453.564 4.856 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(F)(F)CC2)n(C)n1 ZINC001492724616 1066895463 /nfs/dbraw/zinc/89/54/63/1066895463.db2.gz GQWHQNBTGPWHSJ-UHFFFAOYSA-N 0 0 485.764 4.687 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001448068911 1066895759 /nfs/dbraw/zinc/89/57/59/1066895759.db2.gz NTACNJDMKPWNHZ-HNNXBMFYSA-N 0 0 452.339 4.502 20 0 JJADRN COC(=O)CCC1CCN(C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)CC1 ZINC001457678695 1066895816 /nfs/dbraw/zinc/89/58/16/1066895816.db2.gz FHDFAOYRIQDFRP-UHFFFAOYSA-N 0 0 459.593 4.690 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC001457680448 1066895973 /nfs/dbraw/zinc/89/59/73/1066895973.db2.gz LFDDCLNVCZBQIP-UZLBHIALSA-N 0 0 454.514 4.516 20 0 JJADRN Cc1cc(C2CCN(C(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)CC2)ccc1Br ZINC001448073781 1066897487 /nfs/dbraw/zinc/89/74/87/1066897487.db2.gz WVTSTGNMSVYTCQ-HDICACEKSA-N 0 0 451.405 4.767 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001448074993 1066897694 /nfs/dbraw/zinc/89/76/94/1066897694.db2.gz JRLPYOJZFMUFHQ-QGZVFWFLSA-N 0 0 451.445 4.960 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(N(C)CCCOc4ccccc4)nnc3C(C)(C)C)cn2)n1 ZINC001492728018 1066897544 /nfs/dbraw/zinc/89/75/44/1066897544.db2.gz PUKFYRCJTFZYLH-UHFFFAOYSA-N 0 0 473.625 4.727 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CCN1CSCCSC1 ZINC001448074573 1066897719 /nfs/dbraw/zinc/89/77/19/1066897719.db2.gz HTCNIZKPOIQFJX-LJQANCHMSA-N 0 0 451.658 4.614 20 0 JJADRN COCCNc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001457688676 1066897784 /nfs/dbraw/zinc/89/77/84/1066897784.db2.gz IOCXAZSXRFWSIS-UHFFFAOYSA-N 0 0 452.986 4.783 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC001448078822 1066898137 /nfs/dbraw/zinc/89/81/37/1066898137.db2.gz RRJWGQNVDQOWJC-YADHBBJMSA-N 0 0 454.567 4.746 20 0 JJADRN CN(C(=O)c1csc(Cc2ccc(Cl)cc2)n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448081176 1066898207 /nfs/dbraw/zinc/89/82/07/1066898207.db2.gz WRCHNROIDYTAGZ-GOSISDBHSA-N 0 0 450.004 4.763 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(Cc3csc(C)n3)nnc2N(C)CCC(F)(F)F)n1 ZINC001492728927 1066898732 /nfs/dbraw/zinc/89/87/32/1066898732.db2.gz PKALRLRNWRVMOE-UHFFFAOYSA-N 0 0 489.571 4.873 20 0 JJADRN COC(=O)CC1(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 ZINC001448082046 1066898863 /nfs/dbraw/zinc/89/88/63/1066898863.db2.gz IVYCYLUBHJDMMA-UHFFFAOYSA-N 0 0 455.395 4.733 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)c2ccccc2OC)cc1 ZINC001546002697 1066899003 /nfs/dbraw/zinc/89/90/03/1066899003.db2.gz SLMUUGXHOXNJDG-URXFXBBRSA-N 0 0 454.567 4.603 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1 ZINC001457692442 1066899081 /nfs/dbraw/zinc/89/90/81/1066899081.db2.gz DZZCVIVSINGYTJ-UHFFFAOYSA-N 0 0 454.523 4.900 20 0 JJADRN Nc1c(I)cccc1C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001448096745 1066899465 /nfs/dbraw/zinc/89/94/65/1066899465.db2.gz PQSCRPBWWXSYQP-FQEVSTJZSA-N 0 0 454.311 4.958 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C1CCCCC1)C2 ZINC001457701651 1066899965 /nfs/dbraw/zinc/89/99/65/1066899965.db2.gz WTUDMXYAUKEAOO-MZNJEOGPSA-N 0 0 459.583 4.530 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCC[C@](CC)(CO)C1 ZINC001448107158 1066900117 /nfs/dbraw/zinc/90/01/17/1066900117.db2.gz GPXUGTBIPFPVSC-NRFANRHFSA-N 0 0 457.562 4.958 20 0 JJADRN O=C(Oc1cc(F)ccc1Br)c1nc(Br)ccc1Br ZINC001457705750 1066900326 /nfs/dbraw/zinc/90/03/26/1066900326.db2.gz NNHPETGXPLBCDT-UHFFFAOYSA-N 0 0 453.887 4.727 20 0 JJADRN C[C@](O)(CCNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccccc1 ZINC001448109368 1066900392 /nfs/dbraw/zinc/90/03/92/1066900392.db2.gz HBNVHAZDNLGDIE-VWNXMTODSA-N 0 0 454.364 4.983 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCSCc3ccccc3F)C2)n1 ZINC001492730604 1066900704 /nfs/dbraw/zinc/90/07/04/1066900704.db2.gz YZPPUQGKRCJPGT-HXUWFJFHSA-N 0 0 457.623 4.524 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2nc3c(ccc(F)c3C)s2)C1(C)C ZINC001457705890 1066900789 /nfs/dbraw/zinc/90/07/89/1066900789.db2.gz JIWCYCUJHKQFSD-QRQCRPRQSA-N 0 0 451.564 4.781 20 0 JJADRN O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001457707395 1066900820 /nfs/dbraw/zinc/90/08/20/1066900820.db2.gz PLWTUCAUMYFTDR-UTKZUKDTSA-N 0 0 450.362 4.977 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2nc3c(ccc(F)c3C)s2)C1(C)C ZINC001457705888 1066900853 /nfs/dbraw/zinc/90/08/53/1066900853.db2.gz JIWCYCUJHKQFSD-NYHFZMIOSA-N 0 0 451.564 4.781 20 0 JJADRN CC(=O)N1CCc2c1cccc2NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001448110619 1066900883 /nfs/dbraw/zinc/90/08/83/1066900883.db2.gz LYHGINGPWGKXSE-SANMLTNESA-N 0 0 458.558 4.873 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CCCC(C)(C)C)C2)n1 ZINC001492730680 1066901092 /nfs/dbraw/zinc/90/10/92/1066901092.db2.gz BCPNLYGXGJCPCE-FQEVSTJZSA-N 0 0 483.686 4.751 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cs1 ZINC001448110778 1066901093 /nfs/dbraw/zinc/90/10/93/1066901093.db2.gz NCRGFOORDMYFBP-MRXNPFEDSA-N 0 0 452.020 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC001448115027 1066901417 /nfs/dbraw/zinc/90/14/17/1066901417.db2.gz UAKYLOGZNKJFOB-QGZVFWFLSA-N 0 0 452.979 4.731 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC001457711495 1066902197 /nfs/dbraw/zinc/90/21/97/1066902197.db2.gz LDOHEWGFHAWJRY-INIZCTEOSA-N 0 0 452.507 4.749 20 0 JJADRN Cc1cc(C)c2c(n1)sc(C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)c2-n1cccc1 ZINC001457712937 1066902412 /nfs/dbraw/zinc/90/24/12/1066902412.db2.gz SQZDCAGWNZPJDD-UHFFFAOYSA-N 0 0 457.552 4.640 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cnn(Cc2ccccc2)c1 ZINC001457712561 1066902569 /nfs/dbraw/zinc/90/25/69/1066902569.db2.gz ONELPUMSGVJKDM-UHFFFAOYSA-N 0 0 450.296 4.529 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCOC(F)(F)F)C2)n1 ZINC001492731557 1066903251 /nfs/dbraw/zinc/90/32/51/1066903251.db2.gz UPLRAHSSEWZDSA-SFHVURJKSA-N 0 0 496.509 4.578 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3O)nnc2-c2ccco2)cc1 ZINC001457716321 1066903395 /nfs/dbraw/zinc/90/33/95/1066903395.db2.gz RWOAWRWFJGVALP-UHFFFAOYSA-N 0 0 454.483 4.502 20 0 JJADRN O=C(C[C@H](c1cccs1)n1cccc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457716146 1066903425 /nfs/dbraw/zinc/90/34/25/1066903425.db2.gz PAOQKQYGKKWJEG-HXUWFJFHSA-N 0 0 458.425 4.636 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3O)cc2)cc1 ZINC001457715338 1066903435 /nfs/dbraw/zinc/90/34/35/1066903435.db2.gz MUBBSTCBIORWMW-UHFFFAOYSA-N 0 0 456.539 4.560 20 0 JJADRN C[C@@H](NC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O)c1ccc(Cl)c2ccccc21 ZINC001448132115 1066903958 /nfs/dbraw/zinc/90/39/58/1066903958.db2.gz PXXJJVZVFKYORV-DXPJPUQTSA-N 0 0 450.966 4.746 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2Cc2cccnc2OCC(F)(F)F)n1 ZINC001492732204 1066904222 /nfs/dbraw/zinc/90/42/22/1066904222.db2.gz LAQFCEIQCSHTRA-LJQANCHMSA-N 0 0 499.541 4.722 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1cc(Cl)c(Br)cc1F ZINC001457720981 1066904227 /nfs/dbraw/zinc/90/42/27/1066904227.db2.gz SJGPIUFRIAGVCE-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546003027 1066904495 /nfs/dbraw/zinc/90/44/95/1066904495.db2.gz BYJZIUPLIJQBFC-ZWKOTPCHSA-N 0 0 486.642 4.524 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCOc2ncccc2Cl)n1 ZINC001492732393 1066904562 /nfs/dbraw/zinc/90/45/62/1066904562.db2.gz OFVYANMXJISKEO-KRWDZBQOSA-N 0 0 472.018 4.526 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCc2cccs2)n1 ZINC001492732252 1066904763 /nfs/dbraw/zinc/90/47/63/1066904763.db2.gz LZDOVNNKCXLSOB-QGZVFWFLSA-N 0 0 456.566 4.920 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)nc1C(C)C ZINC001457723008 1066904637 /nfs/dbraw/zinc/90/46/37/1066904637.db2.gz FVSYVQWNKVCGPC-IBGZPJMESA-N 0 0 451.548 4.553 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001448153066 1066904839 /nfs/dbraw/zinc/90/48/39/1066904839.db2.gz GWDMOKQFCMEQSN-UHFFFAOYSA-N 0 0 455.530 4.697 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492732529 1066905055 /nfs/dbraw/zinc/90/50/55/1066905055.db2.gz QTCGUBRBQPKWOE-QUCCMNQESA-N 0 0 458.557 4.868 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457725505 1066905236 /nfs/dbraw/zinc/90/52/36/1066905236.db2.gz DSQLRFDAOHMHBM-HYBUGGRVSA-N 0 0 456.949 4.545 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC001457724718 1066905262 /nfs/dbraw/zinc/90/52/62/1066905262.db2.gz KVOAKENOZOZOKV-MHADKKCISA-N 0 0 452.599 4.865 20 0 JJADRN Cc1ccc(NC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)cc1OCc1cccc(Cl)c1 ZINC001448158865 1066905344 /nfs/dbraw/zinc/90/53/44/1066905344.db2.gz JCMQUAJYDRNGGR-JOCHJYFZSA-N 0 0 457.979 4.994 20 0 JJADRN COC(=O)[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)c1ccsc1 ZINC001448165561 1066905754 /nfs/dbraw/zinc/90/57/54/1066905754.db2.gz RRWSCYXUZSYLLR-GOSISDBHSA-N 0 0 455.586 4.542 20 0 JJADRN COC(=O)[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)c1ccsc1 ZINC001448165570 1066905782 /nfs/dbraw/zinc/90/57/82/1066905782.db2.gz RRWSCYXUZSYLLR-SFHVURJKSA-N 0 0 455.586 4.542 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001448164325 1066905855 /nfs/dbraw/zinc/90/58/55/1066905855.db2.gz QTLVQQZXZCRKRK-OAHLLOKOSA-N 0 0 450.967 4.522 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)CC1 ZINC001457733301 1066906041 /nfs/dbraw/zinc/90/60/41/1066906041.db2.gz IUCKJPHNUQXOSH-UHFFFAOYSA-N 0 0 450.926 4.675 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCC(C)(C)O3)cc2)c(C)c1C ZINC001448168008 1066906167 /nfs/dbraw/zinc/90/61/67/1066906167.db2.gz ZAGUESODDFKPKQ-QFIPXVFZSA-N 0 0 458.624 4.717 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C(F)(F)F)nc1Cl ZINC001457731503 1066906123 /nfs/dbraw/zinc/90/61/23/1066906123.db2.gz MUKNAENDWUIHMH-GFCCVEGCSA-N 0 0 452.647 4.596 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)[C@@H]1Oc1ccccc1 ZINC001448168394 1066906208 /nfs/dbraw/zinc/90/62/08/1066906208.db2.gz WSAWYFCEOMRBPC-GAZPGATBSA-N 0 0 450.398 4.671 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2Cc2nc(C(F)(F)F)cs2)n1 ZINC001492733566 1066906962 /nfs/dbraw/zinc/90/69/62/1066906962.db2.gz NDMOVGBICDADEI-UHFFFAOYSA-N 0 0 467.565 4.678 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546003251 1066906983 /nfs/dbraw/zinc/90/69/83/1066906983.db2.gz GHGKEMJYEGWESQ-WSTZPKSXSA-N 0 0 466.630 4.888 20 0 JJADRN Cn1c(=O)[nH]c2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)cc21 ZINC001448181136 1066907013 /nfs/dbraw/zinc/90/70/13/1066907013.db2.gz DWFAEUARNSPXCX-MSOLQXFVSA-N 0 0 470.957 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N[C@@]3(Cc4ccc(Cl)cc4)CCOC3)c2C1 ZINC001448181204 1066907121 /nfs/dbraw/zinc/90/71/21/1066907121.db2.gz YIIHBEVXOWFWIQ-RUZDIDTESA-N 0 0 456.970 4.722 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546003250 1066907133 /nfs/dbraw/zinc/90/71/33/1066907133.db2.gz GHGKEMJYEGWESQ-QWFCFKBJSA-N 0 0 466.630 4.888 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546003248 1066907166 /nfs/dbraw/zinc/90/71/66/1066907166.db2.gz GHGKEMJYEGWESQ-CMKODMSKSA-N 0 0 466.630 4.888 20 0 JJADRN O=C(CCc1cccc(C(F)(F)F)c1)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457737690 1066907227 /nfs/dbraw/zinc/90/72/27/1066907227.db2.gz VURQTAOYGDBNMX-UHFFFAOYSA-N 0 0 454.876 4.874 20 0 JJADRN COc1ccc(-c2nnc(NC(=O)CSc3nccn3-c3cccc(C)c3C)s2)cc1 ZINC001457737867 1066907310 /nfs/dbraw/zinc/90/73/10/1066907310.db2.gz ZYGTVSOBKILTOI-UHFFFAOYSA-N 0 0 451.577 4.747 20 0 JJADRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001448187292 1066908091 /nfs/dbraw/zinc/90/80/91/1066908091.db2.gz GWRQQRUIQZBWLP-VWLOTQADSA-N 0 0 454.505 4.571 20 0 JJADRN Nc1c(Cl)ccc(C(=O)NCc2ccc(I)cc2Cl)c1Cl ZINC001448186729 1066908149 /nfs/dbraw/zinc/90/81/49/1066908149.db2.gz OMFKVCVCRQTLKC-UHFFFAOYSA-N 0 0 455.510 4.764 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cccc(CSc3nccn3C)c2)nc1C1CCCC1 ZINC001457740315 1066908218 /nfs/dbraw/zinc/90/82/18/1066908218.db2.gz CNSMBRAGDRUQPE-UHFFFAOYSA-N 0 0 456.593 4.865 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC2(O)CCCCCC2)n1 ZINC001492735015 1066908189 /nfs/dbraw/zinc/90/81/89/1066908189.db2.gz HJRJUNAFIINXEZ-UHFFFAOYSA-N 0 0 480.657 4.649 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2NC(=O)OC(C)(C)C)n1 ZINC001492734932 1066908351 /nfs/dbraw/zinc/90/83/51/1066908351.db2.gz DZBBEBFIGNIHFP-UHFFFAOYSA-N 0 0 493.534 4.534 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCCCCC1)NC(=O)OC(C)(C)C ZINC001546003395 1066908409 /nfs/dbraw/zinc/90/84/09/1066908409.db2.gz ISAYZFONOGQJHG-SFHVURJKSA-N 0 0 462.664 4.708 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)OC ZINC001546003339 1066908596 /nfs/dbraw/zinc/90/85/96/1066908596.db2.gz HUWDUEDQJBYHCR-JTHBVZDNSA-N 0 0 496.681 4.702 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC001457741710 1066908537 /nfs/dbraw/zinc/90/85/37/1066908537.db2.gz HUAJACKDJPNSRX-XMMPIXPASA-N 0 0 454.530 4.657 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2cccc(-c3c[nH]nn3)c2)s1 ZINC001457741751 1066908664 /nfs/dbraw/zinc/90/86/64/1066908664.db2.gz IGAMAZVDCPNGKU-UHFFFAOYSA-N 0 0 456.325 4.619 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC001492735170 1066908653 /nfs/dbraw/zinc/90/86/53/1066908653.db2.gz MCRFPFVVOSPLRF-UHFFFAOYSA-N 0 0 488.514 4.667 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)[C@H]2CC[C@H](Nc3cnccn3)CC2)CC1 ZINC001448197099 1066908839 /nfs/dbraw/zinc/90/88/39/1066908839.db2.gz MFVLICZXFSJVBZ-IRJFHVNHSA-N 0 0 457.416 4.790 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C1(F)F ZINC001448195487 1066908942 /nfs/dbraw/zinc/90/89/42/1066908942.db2.gz KRWNCIJCELXXIR-BXUZGUMPSA-N 0 0 456.383 4.501 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001457742913 1066909000 /nfs/dbraw/zinc/90/90/00/1066909000.db2.gz CTGZPZWKNGBYDJ-YADARESESA-N 0 0 456.533 4.726 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001492735261 1066909046 /nfs/dbraw/zinc/90/90/46/1066909046.db2.gz PPLWTHBPEFRTRJ-QHCPKHFHSA-N 0 0 482.032 4.634 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001457746849 1066909734 /nfs/dbraw/zinc/90/97/34/1066909734.db2.gz KXQHOABKVMAEQM-VLIAUNLRSA-N 0 0 450.760 4.912 20 0 JJADRN O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001448203431 1066909764 /nfs/dbraw/zinc/90/97/64/1066909764.db2.gz UOXDTMKYODDUOU-UHFFFAOYSA-N 0 0 453.951 4.595 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC=C(Br)C1)NC(=O)OC(C)(C)C ZINC001546003604 1066909834 /nfs/dbraw/zinc/90/98/34/1066909834.db2.gz MFQIZLXBHIUEEG-KRWDZBQOSA-N 0 0 496.475 4.723 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001546003672 1066910170 /nfs/dbraw/zinc/91/01/70/1066910170.db2.gz NTYJOIBCOMEFFR-RBBKRZOGSA-N 0 0 494.709 4.959 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC001457748306 1066910177 /nfs/dbraw/zinc/91/01/77/1066910177.db2.gz HHNIBRYAFZVRHJ-MOPGFXCFSA-N 0 0 453.341 4.917 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1)Oc1ccccc1F ZINC001546003695 1066910217 /nfs/dbraw/zinc/91/02/17/1066910217.db2.gz OMDXDUMHCHTJIR-KNQAVFIVSA-N 0 0 487.645 4.882 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC001457747217 1066910296 /nfs/dbraw/zinc/91/02/96/1066910296.db2.gz MDSYLYACGGAXTE-GJZGRUSLSA-N 0 0 450.457 4.848 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@H](C)c2nccs2)n1 ZINC001492736129 1066910645 /nfs/dbraw/zinc/91/06/45/1066910645.db2.gz VKGOVPFZENDHRT-HNNXBMFYSA-N 0 0 487.580 4.638 20 0 JJADRN Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(F)ccc4OC(F)F)CC3)c2c1C ZINC001457750373 1066910714 /nfs/dbraw/zinc/91/07/14/1066910714.db2.gz TYRYJWFRLUBCJU-UHFFFAOYSA-N 0 0 450.486 4.904 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC2CCCC2)ccc1F ZINC001457750654 1066910742 /nfs/dbraw/zinc/91/07/42/1066910742.db2.gz QUZNUMAXYBYUBO-UHFFFAOYSA-N 0 0 452.523 4.569 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(F)c(F)cc1F ZINC001448226885 1066910830 /nfs/dbraw/zinc/91/08/30/1066910830.db2.gz FGUQEWGVDIDIJU-LJQANCHMSA-N 0 0 450.457 4.547 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546003806 1066911376 /nfs/dbraw/zinc/91/13/76/1066911376.db2.gz QMEXRRNNOBOYSR-SOLBZPMBSA-N 0 0 465.689 4.564 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001546003811 1066911384 /nfs/dbraw/zinc/91/13/84/1066911384.db2.gz QOKCKIBOENAFIH-VQIMIIECSA-N 0 0 484.519 4.695 20 0 JJADRN O=C(Nc1cc(I)ccc1Cl)c1ccc(-c2cncnc2)cc1F ZINC001457752786 1066911617 /nfs/dbraw/zinc/91/16/17/1066911617.db2.gz KPFPEBHRHRYHRJ-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CCc2csc(C)n2)n1 ZINC001492736449 1066911693 /nfs/dbraw/zinc/91/16/93/1066911693.db2.gz GVWZURARUGYEFF-UHFFFAOYSA-N 0 0 489.571 4.803 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@H]1COc2c1cccc2Cl)NCC1CCCCC1 ZINC001457753112 1066911889 /nfs/dbraw/zinc/91/18/89/1066911889.db2.gz FOTRAKVWYKOMHT-FQEVSTJZSA-N 0 0 459.011 4.992 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cnc(Br)c(Br)c1 ZINC001457752995 1066911984 /nfs/dbraw/zinc/91/19/84/1066911984.db2.gz MSTZXGZKTGUIAO-UHFFFAOYSA-N 0 0 455.081 4.961 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2Cc2ccsc2Br)n1 ZINC001492736789 1066912051 /nfs/dbraw/zinc/91/20/51/1066912051.db2.gz SOQOEOOOHCOOFH-UHFFFAOYSA-N 0 0 489.418 4.788 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(CC(C)C)n1 ZINC001448231854 1066912084 /nfs/dbraw/zinc/91/20/84/1066912084.db2.gz WOZNXQHOZPASJM-IBGZPJMESA-N 0 0 459.612 4.784 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)c1ccc(Br)cc1 ZINC001448231400 1066912213 /nfs/dbraw/zinc/91/22/13/1066912213.db2.gz VVIAUQAJBUTMIH-CWKRKGSWSA-N 0 0 455.396 4.954 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](OC)C[C@@H]3C)c2)cc1 ZINC001448231613 1066912263 /nfs/dbraw/zinc/91/22/63/1066912263.db2.gz UKYZTMRWGACDFA-UGKGYDQZSA-N 0 0 458.624 4.778 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3CC(c4ccccc4)C3)c2)cc1F ZINC001448230945 1066912277 /nfs/dbraw/zinc/91/22/77/1066912277.db2.gz TYFZOUDIXSUKJK-UHFFFAOYSA-N 0 0 452.551 4.859 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492737039 1066912347 /nfs/dbraw/zinc/91/23/47/1066912347.db2.gz CNIVDXMQPPKXHN-IAGOWNOFSA-N 0 0 467.565 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2CCc2ccc(F)cc2Cl)n1 ZINC001492737182 1066912464 /nfs/dbraw/zinc/91/24/64/1066912464.db2.gz IGGVCRBSRQBZRD-UHFFFAOYSA-N 0 0 458.994 4.873 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233369 1066912647 /nfs/dbraw/zinc/91/26/47/1066912647.db2.gz BIXASKHHIXAIAS-KKSFZXQISA-N 0 0 451.394 4.549 20 0 JJADRN Cc1ccc(Sc2nsc(NC(=O)[C@@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001457757094 1066912628 /nfs/dbraw/zinc/91/26/28/1066912628.db2.gz NDRHMBJDCRLUNV-HIFRSBDPSA-N 0 0 452.577 4.531 20 0 JJADRN Cc1nnc(CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C(C)(C)C)o1 ZINC001457755364 1066912793 /nfs/dbraw/zinc/91/27/93/1066912793.db2.gz PEGGJDDRDYQQBB-UHFFFAOYSA-N 0 0 452.342 4.885 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)c1cc(-c2c(F)cccc2F)no1 ZINC001457754464 1066912855 /nfs/dbraw/zinc/91/28/55/1066912855.db2.gz ZYLDLVOZIBARCI-UHFFFAOYSA-N 0 0 459.044 4.792 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233366 1066912807 /nfs/dbraw/zinc/91/28/07/1066912807.db2.gz BIXASKHHIXAIAS-HRAATJIYSA-N 0 0 451.394 4.549 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001492737603 1066912794 /nfs/dbraw/zinc/91/27/94/1066912794.db2.gz YVHOOUSYUQHRAD-UHFFFAOYSA-N 0 0 475.544 4.608 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3cccc4cccc(Br)c43)C2)cc1F ZINC001448235369 1066913129 /nfs/dbraw/zinc/91/31/29/1066913129.db2.gz GOUUULRMVPFAHP-HNNXBMFYSA-N 0 0 457.299 4.673 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001448236723 1066913422 /nfs/dbraw/zinc/91/34/22/1066913422.db2.gz REFLHFMXNPOGGP-RTBURBONSA-N 0 0 457.324 4.638 20 0 JJADRN O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001457762307 1066913516 /nfs/dbraw/zinc/91/35/16/1066913516.db2.gz PZRQGJLUFBXCNC-UHFFFAOYSA-N 0 0 453.902 4.719 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2Cc2ccsc2Br)n1 ZINC001492738731 1066913474 /nfs/dbraw/zinc/91/34/74/1066913474.db2.gz HUCDFOVVQQIVBD-UHFFFAOYSA-N 0 0 491.484 4.752 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(C)C)cc12 ZINC001448236966 1066913615 /nfs/dbraw/zinc/91/36/15/1066913615.db2.gz ADDFTYGIIGCOQJ-IIBYNOLFSA-N 0 0 454.640 4.873 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@](F)(c4ccccc4)C3)ccc2C)c1 ZINC001448239037 1066914098 /nfs/dbraw/zinc/91/40/98/1066914098.db2.gz DADILDXTCRITPP-RUZDIDTESA-N 0 0 452.551 4.815 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)CC2 ZINC001457766242 1066914335 /nfs/dbraw/zinc/91/43/35/1066914335.db2.gz SSIBKZUFNIBHBE-UHFFFAOYSA-N 0 0 455.595 4.796 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)nc21 ZINC001457767568 1066914356 /nfs/dbraw/zinc/91/43/56/1066914356.db2.gz FFNJATGEKSGKRZ-UHFFFAOYSA-N 0 0 459.369 4.712 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)ccc2Br)sc2nc3n(c(=O)c12)CCCCC3 ZINC001457766420 1066914462 /nfs/dbraw/zinc/91/44/62/1066914462.db2.gz VDYWKVOSYDMGTM-UHFFFAOYSA-N 0 0 450.333 4.647 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N3CCN(c4cccs4)CC3)cc21 ZINC001457768263 1066914833 /nfs/dbraw/zinc/91/48/33/1066914833.db2.gz ZBGJSYAMRBKVMQ-FQEVSTJZSA-N 0 0 455.624 4.655 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001457768107 1066914904 /nfs/dbraw/zinc/91/49/04/1066914904.db2.gz XJRKKZIXWMNAEM-UHFFFAOYSA-N 0 0 456.907 4.696 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)C(=O)c2cnc(C3CC3)nc2N)c(Br)c1 ZINC001448256539 1066915332 /nfs/dbraw/zinc/91/53/32/1066915332.db2.gz XBDQUJUDJMQQRE-UHFFFAOYSA-N 0 0 457.397 4.911 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCCN2C ZINC001457771686 1066915679 /nfs/dbraw/zinc/91/56/79/1066915679.db2.gz WELWIZIIJUEUDI-SFHVURJKSA-N 0 0 450.366 4.605 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)N(C)c2ccccc2)n1 ZINC001492740595 1066915709 /nfs/dbraw/zinc/91/57/09/1066915709.db2.gz ATRRSAXZTQQURR-QFIPXVFZSA-N 0 0 461.614 4.673 20 0 JJADRN CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)c(O)c(C(C)C)c1 ZINC001448279561 1066915693 /nfs/dbraw/zinc/91/56/93/1066915693.db2.gz NSOBTOVINQQOML-FQEVSTJZSA-N 0 0 459.384 4.715 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1)NC(=O)OC(C)(C)C ZINC001546004161 1066915827 /nfs/dbraw/zinc/91/58/27/1066915827.db2.gz XCLVFVMCTNRMBP-PWIZWCRZSA-N 0 0 475.659 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H]2CSCCS2)n1 ZINC001492740678 1066915808 /nfs/dbraw/zinc/91/58/08/1066915808.db2.gz DHZFTCGEKNJILO-NRFANRHFSA-N 0 0 474.675 4.542 20 0 JJADRN O=C(c1cc(Br)cn2ccnc12)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457773516 1066916000 /nfs/dbraw/zinc/91/60/00/1066916000.db2.gz LLKVBKLBDIDVAT-ZDUSSCGKSA-N 0 0 455.139 4.697 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H](C)c2c(C)noc2C)n1 ZINC001492740803 1066916129 /nfs/dbraw/zinc/91/61/29/1066916129.db2.gz ISVYHNDTQZVHOS-CQSZACIVSA-N 0 0 479.551 4.717 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1C(=O)N(C)C(C)C ZINC001457773837 1066916521 /nfs/dbraw/zinc/91/65/21/1066916521.db2.gz CJEKKIAMTDITAG-UHFFFAOYSA-N 0 0 456.546 4.954 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775235 1066916966 /nfs/dbraw/zinc/91/69/66/1066916966.db2.gz SFCBWJIMSPLPTE-SUMWQHHRSA-N 0 0 453.753 4.680 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1coc(-c2cccs2)n1 ZINC001457775780 1066917043 /nfs/dbraw/zinc/91/70/43/1066917043.db2.gz VERAAMXURLNPJA-INIZCTEOSA-N 0 0 453.347 4.543 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492741524 1066916986 /nfs/dbraw/zinc/91/69/86/1066916986.db2.gz BPYGTQWTUHIMEM-FUHWJXTLSA-N 0 0 490.578 4.681 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCc3cccc(F)c3)C3CC3)n2CCSC(F)(F)F)n1 ZINC001492741282 1066916998 /nfs/dbraw/zinc/91/69/98/1066916998.db2.gz XAAVYVWWAWFJEX-UHFFFAOYSA-N 0 0 482.551 4.743 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001448306774 1066917126 /nfs/dbraw/zinc/91/71/26/1066917126.db2.gz OKFGGRBOJKKBIQ-QFIPXVFZSA-N 0 0 451.364 4.969 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492741264 1066917094 /nfs/dbraw/zinc/91/70/94/1066917094.db2.gz WQDAXLFFGJDZJJ-QFIPXVFZSA-N 0 0 499.704 4.802 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492741648 1066917186 /nfs/dbraw/zinc/91/71/86/1066917186.db2.gz DTZGNYBGSPCMFQ-CALCHBBNSA-N 0 0 455.676 4.619 20 0 JJADRN C[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308530 1066917158 /nfs/dbraw/zinc/91/71/58/1066917158.db2.gz QJEUZRFHWYVRIJ-GOEBONIOSA-N 0 0 455.407 4.889 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC(C)(C)c2ccccc2F)n1 ZINC001492741711 1066917541 /nfs/dbraw/zinc/91/75/41/1066917541.db2.gz FYFBMPKOWKNYNK-KDURUIRLSA-N 0 0 456.635 4.587 20 0 JJADRN Cc1cc(C)cc([C@@H](O)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001448336359 1066917615 /nfs/dbraw/zinc/91/76/15/1066917615.db2.gz MAJZKWUNYLVBJN-VJBWXMMDSA-N 0 0 473.013 4.757 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492742768 1066918089 /nfs/dbraw/zinc/91/80/89/1066918089.db2.gz SGEKZHNXHFBUSP-MJGOQNOKSA-N 0 0 490.574 4.892 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C2CCC(C(C)(C)O)CC2)cc1 ZINC001448348719 1066917911 /nfs/dbraw/zinc/91/79/11/1066917911.db2.gz FPXPROGFTXRYNM-XPPIMPSXSA-N 0 0 458.643 4.947 20 0 JJADRN CCNc1nc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(CC)cc2)s1 ZINC001448346510 1066918036 /nfs/dbraw/zinc/91/80/36/1066918036.db2.gz DKPWVYPEKMNJAP-LJQANCHMSA-N 0 0 458.628 4.880 20 0 JJADRN CCCc1c(NC(=O)c2cnc3c(C)cccc3c2O)cnn1-c1cc(F)c(OC)cc1F ZINC001457781254 1066918460 /nfs/dbraw/zinc/91/84/60/1066918460.db2.gz RFFWNCWSWBMCTQ-UHFFFAOYSA-N 0 0 452.461 4.514 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)c(CC)[nH]c2=O)cc1 ZINC001448351488 1066918668 /nfs/dbraw/zinc/91/86/68/1066918668.db2.gz IJFIZCPFFMZFHQ-JOCHJYFZSA-N 0 0 453.583 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2F)n1 ZINC001492743175 1066918906 /nfs/dbraw/zinc/91/89/06/1066918906.db2.gz NFLFJOGONCLVJZ-WOJBJXKFSA-N 0 0 454.594 4.619 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cnc(-c2ccccc2)nc1C ZINC001457783277 1066919031 /nfs/dbraw/zinc/91/90/31/1066919031.db2.gz MWJWEUDENLQYPD-HXUWFJFHSA-N 0 0 458.345 4.663 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC001457786325 1066919356 /nfs/dbraw/zinc/91/93/56/1066919356.db2.gz ILZUAQORIUAZPV-JLTOFOAXSA-N 0 0 456.395 4.537 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1sc(C)cc1OC(F)F ZINC001457786080 1066919404 /nfs/dbraw/zinc/91/94/04/1066919404.db2.gz YGTMTAYITFTSQT-CYBMUJFWSA-N 0 0 452.306 4.869 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC001448358789 1066919870 /nfs/dbraw/zinc/91/98/70/1066919870.db2.gz WKMJNGVBVHJIIA-ZWKOTPCHSA-N 0 0 467.404 4.644 20 0 JJADRN O=C(c1ccc(-c2cccc(OC(F)(F)F)c2)s1)N(CCO)Cc1cccnc1Cl ZINC001448359302 1066919878 /nfs/dbraw/zinc/91/98/78/1066919878.db2.gz UKVGGWKZXYWNTC-UHFFFAOYSA-N 0 0 456.873 4.997 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1 ZINC001448359775 1066919888 /nfs/dbraw/zinc/91/98/88/1066919888.db2.gz UORNDZDOKUIMAQ-DHIUTWEWSA-N 0 0 456.558 4.632 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN(C)c2ccccc2F)n1 ZINC001492744555 1066920151 /nfs/dbraw/zinc/92/01/51/1066920151.db2.gz RSMNUWCKJCEOKH-LJQANCHMSA-N 0 0 467.637 4.678 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC001457787928 1066920120 /nfs/dbraw/zinc/92/01/20/1066920120.db2.gz MHTGSNKLKDTVRS-NTKDMRAZSA-N 0 0 456.633 4.510 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC001448368489 1066920267 /nfs/dbraw/zinc/92/02/67/1066920267.db2.gz FOGIDILILRQYHV-XZOQPEGZSA-N 0 0 454.567 4.688 20 0 JJADRN O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N(CCO)Cc1cccnc1Cl ZINC001448361227 1066920304 /nfs/dbraw/zinc/92/03/04/1066920304.db2.gz YREIUCCXJWBBKR-UHFFFAOYSA-N 0 0 456.873 4.997 20 0 JJADRN CC(C)(COCc1ccccc1)NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001448369619 1066920377 /nfs/dbraw/zinc/92/03/77/1066920377.db2.gz LQHGSNPRHHTUAY-NRFANRHFSA-N 0 0 452.498 4.548 20 0 JJADRN Cc1ccc(C(=O)N2CC(C3CCOCC3)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001448374624 1066920817 /nfs/dbraw/zinc/92/08/17/1066920817.db2.gz RFINJJZORHHDRH-UHFFFAOYSA-N 0 0 457.368 4.508 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(c4nccs4)CC3)n2CCCSCC(C)C)n1 ZINC001492745276 1066921017 /nfs/dbraw/zinc/92/10/17/1066921017.db2.gz KJDWZSDSCDANTO-UHFFFAOYSA-N 0 0 473.716 4.760 20 0 JJADRN COCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1Cl ZINC001448380764 1066921199 /nfs/dbraw/zinc/92/11/99/1066921199.db2.gz BWJGYCODTWVNEN-LRXXLLMYSA-N 0 0 450.966 4.892 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2ccccc2C)n1 ZINC001492745858 1066921305 /nfs/dbraw/zinc/92/13/05/1066921305.db2.gz ZHLCEJMDRFRQRZ-UHFFFAOYSA-N 0 0 460.548 4.860 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001448380455 1066921315 /nfs/dbraw/zinc/92/13/15/1066921315.db2.gz BBPJNWLJHPSTEN-QAQDUYKDSA-N 0 0 455.407 4.604 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001492745729 1066921402 /nfs/dbraw/zinc/92/14/02/1066921402.db2.gz WDZUKXMBOUIMCX-QHCPKHFHSA-N 0 0 450.631 4.848 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1c(F)cc(Br)cc1F ZINC001457790769 1066921804 /nfs/dbraw/zinc/92/18/04/1066921804.db2.gz MMBBBIAUTVQVKM-SFHVURJKSA-N 0 0 452.295 4.554 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001457790880 1066921838 /nfs/dbraw/zinc/92/18/38/1066921838.db2.gz NWYKMGSSDSSAFJ-CHWSQXEVSA-N 0 0 456.346 4.927 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](C)Oc2ccccc2F)n1 ZINC001492746037 1066921894 /nfs/dbraw/zinc/92/18/94/1066921894.db2.gz GDULGVZAFWLGJZ-INIZCTEOSA-N 0 0 479.387 4.646 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1coc(-c2ccccc2)n1 ZINC001448389313 1066922045 /nfs/dbraw/zinc/92/20/45/1066922045.db2.gz KOVPAYQYFHEAMG-HNNXBMFYSA-N 0 0 455.230 4.586 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CC[C@](F)(c3ccccc3C)C2)[C@H]1c1ccc(OC)cc1 ZINC001448387849 1066922123 /nfs/dbraw/zinc/92/21/23/1066922123.db2.gz KKVXQTASMNEGKO-GEWUYGHSSA-N 0 0 452.570 4.791 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC001448395180 1066922391 /nfs/dbraw/zinc/92/23/91/1066922391.db2.gz QSVUZTVTGPTEOO-QGZVFWFLSA-N 0 0 458.274 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@H](c2cccnc2)C1 ZINC001448396122 1066922434 /nfs/dbraw/zinc/92/24/34/1066922434.db2.gz BZDZPWZLWIUPJY-HBMCJLEFSA-N 0 0 473.520 4.607 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4c(C)cccc4C3)n2CCCSCC(C)C)n1 ZINC001492747862 1066922582 /nfs/dbraw/zinc/92/25/82/1066922582.db2.gz OSMAGMDPEAMKHY-UHFFFAOYSA-N 0 0 452.672 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)CC3)n2Cc2sccc2Br)n1 ZINC001492748685 1066923002 /nfs/dbraw/zinc/92/30/02/1066923002.db2.gz LJZMCQLEONGWPV-AWEZNQCLSA-N 0 0 463.449 4.638 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC001457800069 1066923194 /nfs/dbraw/zinc/92/31/94/1066923194.db2.gz CGUAYWKRXFBFHD-MRXNPFEDSA-N 0 0 451.361 4.899 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccnc3I)sc2C1 ZINC001457801581 1066923553 /nfs/dbraw/zinc/92/35/53/1066923553.db2.gz BBLAWKDJESBAAG-NSHDSACASA-N 0 0 455.365 4.936 20 0 JJADRN CCN(CC)C(=O)CCC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001457801312 1066923722 /nfs/dbraw/zinc/92/37/22/1066923722.db2.gz XTDIBNOUZDLNDT-CYBMUJFWSA-N 0 0 452.418 4.707 20 0 JJADRN CC1N=NC(=S)N1c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001457804127 1066924072 /nfs/dbraw/zinc/92/40/72/1066924072.db2.gz IEXAJENQIGADHQ-IBGZPJMESA-N 0 0 459.616 4.667 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448408405 1066924417 /nfs/dbraw/zinc/92/44/17/1066924417.db2.gz HVFLFJSIEHPFKX-ASSNKEHSSA-N 0 0 451.976 4.864 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(CC)nc3onc(C(C)C)c32)c1 ZINC001448408415 1066924559 /nfs/dbraw/zinc/92/45/59/1066924559.db2.gz VTZPURKDCQIGCO-UHFFFAOYSA-N 0 0 458.584 4.548 20 0 JJADRN C[C@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(N)=O)c1cccc(Cl)c1 ZINC001457805017 1066924572 /nfs/dbraw/zinc/92/45/72/1066924572.db2.gz OJWGAMIWKUJKLL-LJQANCHMSA-N 0 0 453.873 4.613 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCC(C)(C)C)n1 ZINC001492749639 1066924526 /nfs/dbraw/zinc/92/45/26/1066924526.db2.gz GAIUGKOZTDGWNE-OAQYLSRUSA-N 0 0 487.693 4.802 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001492749725 1066924627 /nfs/dbraw/zinc/92/46/27/1066924627.db2.gz HOWQUIFQOQDMQA-DHIUTWEWSA-N 0 0 470.065 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCc2ccccc2)n1 ZINC001492749834 1066924652 /nfs/dbraw/zinc/92/46/52/1066924652.db2.gz KFEBJKMWSNKUBY-QHCPKHFHSA-N 0 0 450.631 4.556 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492749875 1066924685 /nfs/dbraw/zinc/92/46/85/1066924685.db2.gz LFQXDZBIFGPMAC-ROUUACIJSA-N 0 0 490.521 4.513 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC001457807000 1066924851 /nfs/dbraw/zinc/92/48/51/1066924851.db2.gz WMRVMHYXLKJMAW-GOSISDBHSA-N 0 0 456.384 4.944 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001448409780 1066924936 /nfs/dbraw/zinc/92/49/36/1066924936.db2.gz ZHUOSPOGMJJJLW-INIZCTEOSA-N 0 0 451.995 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCSCC(C)C)n1 ZINC001492750262 1066925050 /nfs/dbraw/zinc/92/50/50/1066925050.db2.gz UDVDEZDFVQDFNH-NRFANRHFSA-N 0 0 462.708 4.703 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546005676 1066925126 /nfs/dbraw/zinc/92/51/26/1066925126.db2.gz GZRABRKJNVHMAW-ZIFCJYIRSA-N 0 0 451.681 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2CCc2ccc(Br)cc2)n1 ZINC001492750042 1066925164 /nfs/dbraw/zinc/92/51/64/1066925164.db2.gz OPNSGTTUNDOIME-OAQYLSRUSA-N 0 0 471.447 4.770 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)CSc2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC001448411841 1066925388 /nfs/dbraw/zinc/92/53/88/1066925388.db2.gz ILTINZMVXJYYOA-UHFFFAOYSA-N 0 0 453.564 4.593 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492750486 1066925535 /nfs/dbraw/zinc/92/55/35/1066925535.db2.gz ZEJQDZYLGGEPSW-AOHZBQACSA-N 0 0 486.705 4.765 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@@](C)(C(N)=O)c3cccc(Cl)c3)s2)cc1 ZINC001457809583 1066925758 /nfs/dbraw/zinc/92/57/58/1066925758.db2.gz ZNEMUJNFAJWXNP-HSZRJFAPSA-N 0 0 457.983 4.555 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccccc1 ZINC001457813445 1066926194 /nfs/dbraw/zinc/92/61/94/1066926194.db2.gz DGJOKEPLBQVJRS-QFIPXVFZSA-N 0 0 457.530 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2F)C[C@H]1[C@@H]1CCCO1 ZINC001448434424 1066926610 /nfs/dbraw/zinc/92/66/10/1066926610.db2.gz HUSWYUPEJNEYRX-KKXDTOCCSA-N 0 0 458.477 4.560 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(C)cc3OCCCC(C)C)CC(=O)N2C)cc1 ZINC001457814445 1066926720 /nfs/dbraw/zinc/92/67/20/1066926720.db2.gz QACBKDMITGHCOQ-JYFHCDHNSA-N 0 0 452.595 4.654 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(C)cc3OCCCC(C)C)CC(=O)N2C)cc1 ZINC001457814453 1066926743 /nfs/dbraw/zinc/92/67/43/1066926743.db2.gz QACBKDMITGHCOQ-OZXSUGGESA-N 0 0 452.595 4.654 20 0 JJADRN Cc1ccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc1NC(=O)NC(C)(C)C ZINC001448434092 1066926767 /nfs/dbraw/zinc/92/67/67/1066926767.db2.gz FZMPODDDDPRIAZ-UHFFFAOYSA-N 0 0 452.574 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001492754086 1066926888 /nfs/dbraw/zinc/92/68/88/1066926888.db2.gz PQTQMWIMQRACFH-DEOSSOPVSA-N 0 0 490.574 4.848 20 0 JJADRN COc1cc(OC)cc(OCCCNC(=O)Cc2c(C)cc(C)c(Br)c2C)c1 ZINC001457816369 1066927029 /nfs/dbraw/zinc/92/70/29/1066927029.db2.gz JVHIYQKSZZBYDD-UHFFFAOYSA-N 0 0 450.373 4.519 20 0 JJADRN Cc1cc([C@H](CC(=O)NN2CCC(C(C)(C)C)CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457815607 1066927104 /nfs/dbraw/zinc/92/71/04/1066927104.db2.gz BMOUIATYDATFBG-SFHVURJKSA-N 0 0 453.027 4.789 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001448435733 1066927080 /nfs/dbraw/zinc/92/70/80/1066927080.db2.gz JGAOUDVIYUBGQG-BYWIIYOTSA-N 0 0 452.422 4.876 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001448434868 1066927122 /nfs/dbraw/zinc/92/71/22/1066927122.db2.gz SSTRRYLGUDLZHK-LJQANCHMSA-N 0 0 451.405 4.945 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccccc4Br)C3)n2CCC(C)C)n1 ZINC001492755035 1066927128 /nfs/dbraw/zinc/92/71/28/1066927128.db2.gz PBKHMLUGAOQJJZ-OAQYLSRUSA-N 0 0 487.446 4.526 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2cc(Br)cs2)n1 ZINC001492756258 1066927692 /nfs/dbraw/zinc/92/76/92/1066927692.db2.gz VZSDQGVKIQWWEF-GOSISDBHSA-N 0 0 495.516 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448439638 1066927736 /nfs/dbraw/zinc/92/77/36/1066927736.db2.gz ZPUOFOMTCSZFHF-JCURWCKSSA-N 0 0 464.912 4.592 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)COCc2ccccc2)n1 ZINC001492756523 1066927939 /nfs/dbraw/zinc/92/79/39/1066927939.db2.gz DCCHYUFEQMZVFJ-AQNXPRMDSA-N 0 0 486.611 4.720 20 0 JJADRN Cc1c(NC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001448444056 1066927978 /nfs/dbraw/zinc/92/79/78/1066927978.db2.gz FCLOYJJILGMCTG-JOCHJYFZSA-N 0 0 454.546 4.554 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492756298 1066928122 /nfs/dbraw/zinc/92/81/22/1066928122.db2.gz XLAAMMIDFWDMQV-HXUWFJFHSA-N 0 0 494.587 4.664 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492756297 1066928132 /nfs/dbraw/zinc/92/81/32/1066928132.db2.gz XLAAMMIDFWDMQV-FQEVSTJZSA-N 0 0 494.587 4.664 20 0 JJADRN O=C(CCOc1cccc(Cl)c1)NCc1ccc(I)c(Cl)c1 ZINC001448444419 1066928154 /nfs/dbraw/zinc/92/81/54/1066928154.db2.gz URSLFUCBWCDJKO-UHFFFAOYSA-N 0 0 450.103 4.683 20 0 JJADRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001546094278 1066928370 /nfs/dbraw/zinc/92/83/70/1066928370.db2.gz DEWASUZOEBAHRH-UHFFFAOYSA-N 0 0 452.866 4.995 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3ccccc3OC(F)F)C2)n1 ZINC001492756738 1066928473 /nfs/dbraw/zinc/92/84/73/1066928473.db2.gz KXRPACRLNAWCLV-IBGZPJMESA-N 0 0 487.599 4.545 20 0 JJADRN COC[C@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1c(F)cccc1Cl ZINC001448445358 1066928552 /nfs/dbraw/zinc/92/85/52/1066928552.db2.gz AJUKXXDDBGCBFH-RTYFKUQISA-N 0 0 454.929 4.641 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Br)c(OC[C@H]2CCCO2)c1 ZINC001457826689 1066928954 /nfs/dbraw/zinc/92/89/54/1066928954.db2.gz YEZLLCYHWYJBGJ-MRXNPFEDSA-N 0 0 452.776 4.828 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001448451612 1066928886 /nfs/dbraw/zinc/92/88/86/1066928886.db2.gz FYOFWRCNZXPLSB-HNNXBMFYSA-N 0 0 457.638 4.936 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)COc3ccc4cc(Br)ccc4c3)CCN2)cc1 ZINC001448450833 1066928900 /nfs/dbraw/zinc/92/89/00/1066928900.db2.gz MFSWXARAOPOPOI-QHCPKHFHSA-N 0 0 453.380 4.717 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)COCc2ccccc2)C[C@H]1c1ccccc1 ZINC001448448052 1066928938 /nfs/dbraw/zinc/92/89/38/1066928938.db2.gz ITQPGWWSFYTOKN-XZOQPEGZSA-N 0 0 452.595 4.749 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)COc3ccc4cc(Br)ccc4c3)CCN2)cc1 ZINC001448450830 1066929038 /nfs/dbraw/zinc/92/90/38/1066929038.db2.gz MFSWXARAOPOPOI-HSZRJFAPSA-N 0 0 453.380 4.717 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492757934 1066929401 /nfs/dbraw/zinc/92/94/01/1066929401.db2.gz QTHHKVNFBNBHEJ-QGZVFWFLSA-N 0 0 479.526 4.798 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(F)c(F)cc1I ZINC001457827161 1066929455 /nfs/dbraw/zinc/92/94/55/1066929455.db2.gz AUNPOSSYSNUQTI-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001457827279 1066929482 /nfs/dbraw/zinc/92/94/82/1066929482.db2.gz ASGFVRYCDRTBSA-UHFFFAOYSA-N 0 0 459.999 4.518 20 0 JJADRN Cc1nc2cc(CNC(=O)CCc3cnc(NC(=O)OC(C)(C)C)s3)ccc2n1C1CC1 ZINC001448451985 1066929456 /nfs/dbraw/zinc/92/94/56/1066929456.db2.gz XGQCZYPKTHKWGV-UHFFFAOYSA-N 0 0 455.584 4.732 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NC[C@](C)(O)c3ccccc3Br)cs2)cc1 ZINC001448458934 1066929695 /nfs/dbraw/zinc/92/96/95/1066929695.db2.gz OSYVCXOVVOHOED-QFIPXVFZSA-N 0 0 459.409 4.701 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccncc2)c1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457830033 1066929912 /nfs/dbraw/zinc/92/99/12/1066929912.db2.gz XLLUOFUQRSCAGD-LJQANCHMSA-N 0 0 455.562 4.929 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H](c3ccccc3)C(F)(F)F)c2)C1 ZINC001457832615 1066930258 /nfs/dbraw/zinc/93/02/58/1066930258.db2.gz DRBVNEQLXKGNDA-YRNRMSPPSA-N 0 0 455.498 4.814 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)c1C(F)F ZINC001448465383 1066930293 /nfs/dbraw/zinc/93/02/93/1066930293.db2.gz MLFFDWLQWNODIF-QGZVFWFLSA-N 0 0 454.399 4.897 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(F)c3)CC2)n1 ZINC001492759127 1066930421 /nfs/dbraw/zinc/93/04/21/1066930421.db2.gz XAJGZJGRYNFWFE-NRFANRHFSA-N 0 0 468.621 4.813 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)n1 ZINC001492757827 1066930486 /nfs/dbraw/zinc/93/04/86/1066930486.db2.gz OGNGZUGAKFLZDI-IBGZPJMESA-N 0 0 486.462 4.879 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)n1 ZINC001492757828 1066930541 /nfs/dbraw/zinc/93/05/41/1066930541.db2.gz OGNGZUGAKFLZDI-LJQANCHMSA-N 0 0 486.462 4.879 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492759384 1066930843 /nfs/dbraw/zinc/93/08/43/1066930843.db2.gz DGHPLCRRKCZQQI-HSALFYBXSA-N 0 0 472.634 4.791 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001448476718 1066931227 /nfs/dbraw/zinc/93/12/27/1066931227.db2.gz NYXKMEUEYWWYCC-JBACZVJFSA-N 0 0 456.562 4.579 20 0 JJADRN Cc1csc(Oc2ccc(NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)cc2F)n1 ZINC001448483167 1066931433 /nfs/dbraw/zinc/93/14/33/1066931433.db2.gz CJSRAJYOPCEVKE-UHFFFAOYSA-N 0 0 456.467 4.560 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CCO2)n1 ZINC001492759655 1066931588 /nfs/dbraw/zinc/93/15/88/1066931588.db2.gz JTBYCBJTEYGNHL-NHCUHLMSSA-N 0 0 478.632 4.801 20 0 JJADRN Cc1ccccc1-c1nc(COC(=O)c2scc(Br)c2Br)no1 ZINC001457846103 1066931605 /nfs/dbraw/zinc/93/16/05/1066931605.db2.gz YXTLFSLDEWDHSU-UHFFFAOYSA-N 0 0 458.131 4.989 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(C)C)CCO2)n1 ZINC001492759581 1066931633 /nfs/dbraw/zinc/93/16/33/1066931633.db2.gz HYFRITRZTQSRTF-HXUWFJFHSA-N 0 0 471.049 4.999 20 0 JJADRN O=C(CCCc1nc2ccccc2[nH]1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001457847103 1066931837 /nfs/dbraw/zinc/93/18/37/1066931837.db2.gz GKZYOTLZPBQIOV-LJQANCHMSA-N 0 0 453.892 4.534 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006732 1066931911 /nfs/dbraw/zinc/93/19/11/1066931911.db2.gz ZUCMABUACCRGIK-IRLDBZIGSA-N 0 0 469.630 4.582 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Cl)nnc2N(C)CCCc2ccccn2)n1 ZINC001492760386 1066932396 /nfs/dbraw/zinc/93/23/96/1066932396.db2.gz CQFZJCPCMRKGKA-UHFFFAOYSA-N 0 0 464.017 4.966 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)nnc1-c1ccccc1C ZINC001448489466 1066932615 /nfs/dbraw/zinc/93/26/15/1066932615.db2.gz RWYJZJYSAHUSEV-GFCCVEGCSA-N 0 0 455.531 4.718 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC001457857563 1066932925 /nfs/dbraw/zinc/93/29/25/1066932925.db2.gz PYKZSVGISJTKIT-LBZQVFOQSA-N 0 0 456.514 4.750 20 0 JJADRN CN(C)c1nc2cc(NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)ccc2[nH]1 ZINC001448493431 1066933162 /nfs/dbraw/zinc/93/31/62/1066933162.db2.gz IOKSBTRWODCQOA-UHFFFAOYSA-N 0 0 452.312 4.831 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001492760817 1066933510 /nfs/dbraw/zinc/93/35/10/1066933510.db2.gz SPVYOPWYELICEB-XMMPIXPASA-N 0 0 472.037 4.539 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)n1 ZINC001492760838 1066933579 /nfs/dbraw/zinc/93/35/79/1066933579.db2.gz UGGWNOKTKNRWIA-UHFFFAOYSA-N 0 0 483.979 4.551 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC[C@H]1c1ccc(C)o1 ZINC001457868136 1066933560 /nfs/dbraw/zinc/93/35/60/1066933560.db2.gz QMWGDPREEHDNMO-IRXDYDNUSA-N 0 0 454.445 4.508 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1OC ZINC001448497814 1066933800 /nfs/dbraw/zinc/93/38/00/1066933800.db2.gz QWTTVCFTUURAAC-JTQLQIEISA-N 0 0 459.490 4.655 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(F)cc3Br)nnc2N2CCC(C)CC2)n1 ZINC001492760914 1066933924 /nfs/dbraw/zinc/93/39/24/1066933924.db2.gz WMMFOZSPOKQYQC-UHFFFAOYSA-N 0 0 475.410 4.987 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCCC2)n1 ZINC001492760867 1066933952 /nfs/dbraw/zinc/93/39/52/1066933952.db2.gz UVPHOXXWJSGKKQ-UHFFFAOYSA-N 0 0 460.424 4.566 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)NCc2nc(-c3ccccc3F)cs2)cc1 ZINC001448503179 1066934243 /nfs/dbraw/zinc/93/42/43/1066934243.db2.gz ONWJCWQTMDCTNO-UHFFFAOYSA-N 0 0 454.552 4.552 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(C)C)C2)n1 ZINC001492761860 1066934535 /nfs/dbraw/zinc/93/45/35/1066934535.db2.gz YQMGENYNHOWOFK-PKTZIBPZSA-N 0 0 499.704 4.779 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(C)C)C2)n1 ZINC001492761859 1066934631 /nfs/dbraw/zinc/93/46/31/1066934631.db2.gz YQMGENYNHOWOFK-GOTSBHOMSA-N 0 0 499.704 4.779 20 0 JJADRN Cc1cc(C)n(CCCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSCC2)n1 ZINC001492762136 1066934647 /nfs/dbraw/zinc/93/46/47/1066934647.db2.gz HVVUYYDONBNCKC-UHFFFAOYSA-N 0 0 489.089 4.708 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(C)C)C2)n1 ZINC001492761858 1066934717 /nfs/dbraw/zinc/93/47/17/1066934717.db2.gz YQMGENYNHOWOFK-DHIUTWEWSA-N 0 0 499.704 4.779 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(F)c(Cl)c2)n1 ZINC001492762123 1066934750 /nfs/dbraw/zinc/93/47/50/1066934750.db2.gz HTWWIJZCNXPKSA-UHFFFAOYSA-N 0 0 467.980 4.596 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3sc(-c4ccccc4F)nc3C)CC2)c1 ZINC001457879295 1066934910 /nfs/dbraw/zinc/93/49/10/1066934910.db2.gz UAAKQUZHJRELGB-UHFFFAOYSA-N 0 0 455.555 4.627 20 0 JJADRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC001457879146 1066935017 /nfs/dbraw/zinc/93/50/17/1066935017.db2.gz GWXVKGVNPIEFLW-NSHDSACASA-N 0 0 452.324 4.793 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001492762307 1066934989 /nfs/dbraw/zinc/93/49/89/1066934989.db2.gz MSIYCNPCWJKJMO-QZTJIDSGSA-N 0 0 457.022 4.896 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)n1 ZINC001492762239 1066935051 /nfs/dbraw/zinc/93/50/51/1066935051.db2.gz KMXGVWGTZSROTH-NRFANRHFSA-N 0 0 457.022 4.711 20 0 JJADRN O=C(CSc1nc2ccccc2s1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001448507618 1066935175 /nfs/dbraw/zinc/93/51/75/1066935175.db2.gz YYZADHSZUHSPRV-UHFFFAOYSA-N 0 0 459.394 4.653 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CCc3cccc(Br)c3C2)c1F ZINC001457881765 1066935279 /nfs/dbraw/zinc/93/52/79/1066935279.db2.gz AACAVIWFBGYAQP-UHFFFAOYSA-N 0 0 457.137 4.948 20 0 JJADRN N[C@@](C(=O)NCc1ccc(COc2ccc(F)cc2)cc1)(c1cccc(F)c1)C(F)(F)F ZINC001457881356 1066935349 /nfs/dbraw/zinc/93/53/49/1066935349.db2.gz QCPRYKSACHQZGM-JOCHJYFZSA-N 0 0 450.407 4.577 20 0 JJADRN C[C@@H](NC(=O)[C@H]1SCCc2sccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881838 1066935370 /nfs/dbraw/zinc/93/53/70/1066935370.db2.gz BQFLXKFAZBRAPE-BMIGLBTASA-N 0 0 450.383 4.768 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC3CC3)nnc2N(C)Cc2ccc(Br)cc2)n1 ZINC001492762451 1066935335 /nfs/dbraw/zinc/93/53/35/1066935335.db2.gz RWOFMNCBRKYBSH-UHFFFAOYSA-N 0 0 457.420 4.533 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001448513604 1066935703 /nfs/dbraw/zinc/93/57/03/1066935703.db2.gz GXIPYJBSCHLMAP-SJORKVTESA-N 0 0 451.405 4.902 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCCC(C)C)CCO2)o1 ZINC001492763831 1066935825 /nfs/dbraw/zinc/93/58/25/1066935825.db2.gz PDLIFOGUODJZHX-DENIHFKCSA-N 0 0 468.602 4.740 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CCCCc2nc(C)cs2)CCO1 ZINC001546094875 1066935752 /nfs/dbraw/zinc/93/57/52/1066935752.db2.gz BATYLDWDPBGOOQ-RUZDIDTESA-N 0 0 469.655 4.671 20 0 JJADRN Cc1c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)n[nH]c1C(C)C ZINC001457883630 1066935761 /nfs/dbraw/zinc/93/57/61/1066935761.db2.gz AFHLPGLDIXMAAV-INIZCTEOSA-N 0 0 451.365 4.809 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492762655 1066935885 /nfs/dbraw/zinc/93/58/85/1066935885.db2.gz ZSXSYPJOPRAGFH-LJQANCHMSA-N 0 0 464.511 4.690 20 0 JJADRN CCOc1cccc(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)c1OC(F)F ZINC001457884250 1066936076 /nfs/dbraw/zinc/93/60/76/1066936076.db2.gz DNRSCKXGRMOBNY-UHFFFAOYSA-N 0 0 455.383 4.821 20 0 JJADRN Cc1nnc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCc2cccs2)s1 ZINC001492765228 1066936072 /nfs/dbraw/zinc/93/60/72/1066936072.db2.gz ZOIMHMCTUUOXMA-UHFFFAOYSA-N 0 0 495.678 4.680 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(F)c(Cl)c2)s1 ZINC001492765275 1066936120 /nfs/dbraw/zinc/93/61/20/1066936120.db2.gz BFVWLYFQMOBUAR-UHFFFAOYSA-N 0 0 457.966 4.562 20 0 JJADRN Cc1nnc(CCCn2c(C(C)C)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001492765058 1066936186 /nfs/dbraw/zinc/93/61/86/1066936186.db2.gz VTBVTSOKFWVRHZ-UHFFFAOYSA-N 0 0 479.576 4.540 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCCSCC(C)C)CCO2)o1 ZINC001492765021 1066936226 /nfs/dbraw/zinc/93/62/26/1066936226.db2.gz UWFYJEYYSQWXCZ-IBGZPJMESA-N 0 0 477.034 4.647 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)[C@H](C)C2)s1 ZINC001492765287 1066936573 /nfs/dbraw/zinc/93/65/73/1066936573.db2.gz BNCPHAGLAWAFMK-ZIAGYGMSSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)[C@@H](C)C2)s1 ZINC001492765285 1066936630 /nfs/dbraw/zinc/93/66/30/1066936630.db2.gz BNCPHAGLAWAFMK-KBPBESRZSA-N 0 0 461.433 4.593 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001457890342 1066936961 /nfs/dbraw/zinc/93/69/61/1066936961.db2.gz BYNIIDOECLCBOV-KRWDZBQOSA-N 0 0 454.857 4.867 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001457891168 1066937269 /nfs/dbraw/zinc/93/72/69/1066937269.db2.gz ZDVVNNRGGWFMBS-ZDUSSCGKSA-N 0 0 453.996 4.864 20 0 JJADRN CCOc1cccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c1OC(F)F ZINC001457891049 1066937342 /nfs/dbraw/zinc/93/73/42/1066937342.db2.gz WARFWPXGDKNHOX-UHFFFAOYSA-N 0 0 451.470 4.663 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N(C)Cc2nccs2)s1 ZINC001492765493 1066937289 /nfs/dbraw/zinc/93/72/89/1066937289.db2.gz IOEPDGBNIQZVMT-UHFFFAOYSA-N 0 0 490.456 4.593 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H]2C)s1 ZINC001492765589 1066937403 /nfs/dbraw/zinc/93/74/03/1066937403.db2.gz LKDBLKAHTWTOEE-NEPJUHHUSA-N 0 0 467.462 4.797 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 ZINC001448541117 1066937611 /nfs/dbraw/zinc/93/76/11/1066937611.db2.gz OLPBYGYWEZXKDU-HNNXBMFYSA-N 0 0 455.971 4.881 20 0 JJADRN Cc1nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)[nH]c1Cc1ccccc1 ZINC001457893989 1066937635 /nfs/dbraw/zinc/93/76/35/1066937635.db2.gz MWLXZCYGQUXIMK-FFZOFVMBSA-N 0 0 471.667 4.910 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492765721 1066937702 /nfs/dbraw/zinc/93/77/02/1066937702.db2.gz PBECVKDTDYSYGJ-IBGZPJMESA-N 0 0 456.685 4.977 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1=O ZINC001457895883 1066937969 /nfs/dbraw/zinc/93/79/69/1066937969.db2.gz QHFUFAOENQHNDU-NFBKMPQASA-N 0 0 450.535 4.589 20 0 JJADRN COc1ccccc1N1CC[C@H](NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)C1=O ZINC001457895889 1066937980 /nfs/dbraw/zinc/93/79/80/1066937980.db2.gz QHFUFAOENQHNDU-REWPJTCUSA-N 0 0 450.535 4.589 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492765862 1066938171 /nfs/dbraw/zinc/93/81/71/1066938171.db2.gz UXNDBUSTIILPSW-UONOGXRCSA-N 0 0 493.500 4.831 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001448544938 1066938347 /nfs/dbraw/zinc/93/83/47/1066938347.db2.gz WUNZMCPLWLHMKM-SWLSCSKDSA-N 0 0 452.226 4.567 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492766020 1066938378 /nfs/dbraw/zinc/93/83/78/1066938378.db2.gz ZDMZYMNOJNWNKL-UHFFFAOYSA-N 0 0 483.386 4.736 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492766030 1066938435 /nfs/dbraw/zinc/93/84/35/1066938435.db2.gz ZLCSUBAWAOUNTJ-KRWDZBQOSA-N 0 0 488.633 4.744 20 0 JJADRN Cc1ccccc1C[C@@H](C)C(=O)Nc1ncc(Br)cc1I ZINC001457900932 1066938760 /nfs/dbraw/zinc/93/87/60/1066938760.db2.gz ADAXSKSXICVWGH-LLVKDONJSA-N 0 0 459.125 4.574 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)s1 ZINC001492766524 1066938917 /nfs/dbraw/zinc/93/89/17/1066938917.db2.gz OOXPFNWEOUVHQZ-IBGZPJMESA-N 0 0 475.062 4.891 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492766517 1066938956 /nfs/dbraw/zinc/93/89/56/1066938956.db2.gz ONGNBTOBGVJLDX-UHFFFAOYSA-N 0 0 478.445 4.526 20 0 JJADRN Cc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)c1C ZINC001457904106 1066939342 /nfs/dbraw/zinc/93/93/42/1066939342.db2.gz IQFQKXNAHYPHRA-AREMUKBSSA-N 0 0 455.558 4.982 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492766790 1066939498 /nfs/dbraw/zinc/93/94/98/1066939498.db2.gz WPFSKQYFBNXTDN-SFHVURJKSA-N 0 0 464.561 4.749 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(Br)cc2)cc(Br)c1O ZINC001448564836 1066939503 /nfs/dbraw/zinc/93/95/03/1066939503.db2.gz GGCUVOKFDJDJLP-TXGYYHNKSA-N 0 0 455.146 4.816 20 0 JJADRN COc1ccccc1[C@](N)(C(=O)N1CCC(CCc2ccc(F)cc2F)CC1)C(F)(F)F ZINC001457902705 1066939438 /nfs/dbraw/zinc/93/94/38/1066939438.db2.gz GERIGGKOESZTQZ-QFIPXVFZSA-N 0 0 456.455 4.561 20 0 JJADRN COC(=O)[C@]1(C)CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 ZINC001457906143 1066939773 /nfs/dbraw/zinc/93/97/73/1066939773.db2.gz JSOOXYTXUMBQEM-OAQYLSRUSA-N 0 0 450.322 4.663 20 0 JJADRN CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)cc2c1 ZINC001448574500 1066939709 /nfs/dbraw/zinc/93/97/09/1066939709.db2.gz JXFPJGRKOBUMPX-UHFFFAOYSA-N 0 0 452.498 4.818 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC001448573020 1066939805 /nfs/dbraw/zinc/93/98/05/1066939805.db2.gz SEBNJAPVRGPHFS-UHFFFAOYSA-N 0 0 454.845 4.613 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(F)cc3I)o2)cc1 ZINC001457909970 1066940057 /nfs/dbraw/zinc/94/00/57/1066940057.db2.gz GUNIALASZXUXBT-UHFFFAOYSA-N 0 0 450.207 4.540 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001457909909 1066940177 /nfs/dbraw/zinc/94/01/77/1066940177.db2.gz GHQJZADIOIBHEH-FOIQADDNSA-N 0 0 454.876 4.854 20 0 JJADRN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1cc(Br)cnc1Cl ZINC001457911749 1066940487 /nfs/dbraw/zinc/94/04/87/1066940487.db2.gz PFQVFFRAUVNDMF-UHFFFAOYSA-N 0 0 451.777 4.769 20 0 JJADRN CC(C)CON(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001457913774 1066940612 /nfs/dbraw/zinc/94/06/12/1066940612.db2.gz SIOJQPUXBFKWAW-HXUWFJFHSA-N 0 0 450.645 4.860 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492767623 1066940548 /nfs/dbraw/zinc/94/05/48/1066940548.db2.gz AYKSYCLREIHZMW-OKILXGFUSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492767624 1066940555 /nfs/dbraw/zinc/94/05/55/1066940555.db2.gz AYKSYCLREIHZMW-ZIAGYGMSSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492767566 1066940598 /nfs/dbraw/zinc/94/05/98/1066940598.db2.gz AIAMJYGBZSDPIV-CYBMUJFWSA-N 0 0 484.523 4.739 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@@H](CC(F)(F)F)c3ccccc3C)n2)c1 ZINC001448588431 1066940643 /nfs/dbraw/zinc/94/06/43/1066940643.db2.gz IKNLXCYCSFFALB-KRWDZBQOSA-N 0 0 451.470 4.956 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001448589511 1066940746 /nfs/dbraw/zinc/94/07/46/1066940746.db2.gz NUXRJPSHCRHZRP-MRXNPFEDSA-N 0 0 452.555 4.724 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1cc(OC)ccc1OC(F)F ZINC001457914120 1066940825 /nfs/dbraw/zinc/94/08/25/1066940825.db2.gz VTYCBZUFDIQLDM-UHFFFAOYSA-N 0 0 458.490 4.720 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC)c(Br)c2)CCO1 ZINC001546095039 1066940990 /nfs/dbraw/zinc/94/09/90/1066940990.db2.gz FCCAYKYUCLDTHJ-HSZRJFAPSA-N 0 0 479.463 4.886 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1 ZINC001457915805 1066941027 /nfs/dbraw/zinc/94/10/27/1066941027.db2.gz SAQMDSZTIBCBIA-QRWLVFNGSA-N 0 0 451.548 4.610 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546008540 1066941016 /nfs/dbraw/zinc/94/10/16/1066941016.db2.gz SGLQTPHDWFDQCI-TZIWHRDSSA-N 0 0 496.656 4.588 20 0 JJADRN COCc1nc2sc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3C)c(C)c2c(OC)n1 ZINC001448593647 1066941196 /nfs/dbraw/zinc/94/11/96/1066941196.db2.gz QPGNOJGMJPKIOC-CQSZACIVSA-N 0 0 453.486 4.887 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001448610233 1066941898 /nfs/dbraw/zinc/94/18/98/1066941898.db2.gz DXCGCUDMMOUIRW-UHFFFAOYSA-N 0 0 458.497 4.728 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492768155 1066941901 /nfs/dbraw/zinc/94/19/01/1066941901.db2.gz OUJMGRZBTDUAMB-ZIAGYGMSSA-N 0 0 493.500 4.749 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492768048 1066941955 /nfs/dbraw/zinc/94/19/55/1066941955.db2.gz MAZSJNYVISKCSN-JXFKEZNVSA-N 0 0 491.061 4.725 20 0 JJADRN O=C(CCCNC(=O)NC1CCCCC1)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001457923592 1066942431 /nfs/dbraw/zinc/94/24/31/1066942431.db2.gz HMIXMFVNVVKEGZ-UHFFFAOYSA-N 0 0 455.506 4.575 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(O[C@@H](C)c3ccccc3)ccn2)c1 ZINC001457932180 1066942806 /nfs/dbraw/zinc/94/28/06/1066942806.db2.gz KDLBKBVDGACERZ-SFHVURJKSA-N 0 0 453.564 4.504 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1)CC1CC1 ZINC001457927358 1066942843 /nfs/dbraw/zinc/94/28/43/1066942843.db2.gz SOOAGVXJTOZASG-UHFFFAOYSA-N 0 0 456.490 4.810 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(C)(C)C)C2)s1 ZINC001492769689 1066943031 /nfs/dbraw/zinc/94/30/31/1066943031.db2.gz GVUKXNFEABWOPA-IBGZPJMESA-N 0 0 454.644 4.749 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)s1 ZINC001492769690 1066943172 /nfs/dbraw/zinc/94/31/72/1066943172.db2.gz GVUKXNFEABWOPA-LJQANCHMSA-N 0 0 454.644 4.749 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CC=CCC2)s1 ZINC001492770833 1066943576 /nfs/dbraw/zinc/94/35/76/1066943576.db2.gz BERHRGOELDLRQZ-ZDUSSCGKSA-N 0 0 465.446 4.770 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC001457935501 1066943690 /nfs/dbraw/zinc/94/36/90/1066943690.db2.gz CMLPIENRVDQNLK-QAPCUYQASA-N 0 0 458.356 4.572 20 0 JJADRN Cc1nc(SCC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)[nH]c1Cc1ccccc1 ZINC001457936777 1066943900 /nfs/dbraw/zinc/94/39/00/1066943900.db2.gz NPCOPFDDRMTEJX-SFHVURJKSA-N 0 0 450.391 4.558 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492771259 1066943938 /nfs/dbraw/zinc/94/39/38/1066943938.db2.gz DCQLYFHWWUJQEG-MRXNPFEDSA-N 0 0 467.426 4.711 20 0 JJADRN Cc1c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cnn1-c1ccc(C)cc1 ZINC001448622820 1066944471 /nfs/dbraw/zinc/94/44/71/1066944471.db2.gz QEWTUVGXRIUGQH-UHFFFAOYSA-N 0 0 453.384 4.968 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CC1=O ZINC001457942712 1066944654 /nfs/dbraw/zinc/94/46/54/1066944654.db2.gz HVPBDXTXVXVMOO-YEJXKQKISA-N 0 0 450.913 4.883 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1=O ZINC001457942705 1066944778 /nfs/dbraw/zinc/94/47/78/1066944778.db2.gz HVPBDXTXVXVMOO-ASSNKEHSSA-N 0 0 450.913 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3F)cc2CC1 ZINC001448623711 1066944782 /nfs/dbraw/zinc/94/47/82/1066944782.db2.gz XVXMUFANPANNCD-UHFFFAOYSA-N 0 0 450.514 4.804 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H](C)CC2)s1 ZINC001492772110 1066944883 /nfs/dbraw/zinc/94/48/83/1066944883.db2.gz YHHFSRVNUIUDGE-LBPRGKRZSA-N 0 0 465.396 4.681 20 0 JJADRN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1c(F)cccc1Cl ZINC001457943648 1066945157 /nfs/dbraw/zinc/94/51/57/1066945157.db2.gz UGVFQOMMOINMBQ-HXUWFJFHSA-N 0 0 452.869 4.978 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492773387 1066945332 /nfs/dbraw/zinc/94/53/32/1066945332.db2.gz FIYMQYCWGWKMNO-HZPDHXFCSA-N 0 0 472.684 4.693 20 0 JJADRN COc1cccc(/C=C\c2cc(C(=O)NCC[C@H](C)O)c3cc(Br)ccc3n2)c1 ZINC001457948115 1066945839 /nfs/dbraw/zinc/94/58/39/1066945839.db2.gz DDJGDBAIPWWUOE-LYASGUKUSA-N 0 0 455.352 4.677 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1F ZINC001457947828 1066945935 /nfs/dbraw/zinc/94/59/35/1066945935.db2.gz KZHCESFLOUBBQW-SFHVURJKSA-N 0 0 453.322 4.829 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492774617 1066946194 /nfs/dbraw/zinc/94/61/94/1066946194.db2.gz KUSLAGHURVLBQI-RTHCMUBDSA-N 0 0 467.639 4.676 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@@H](c3cccc(F)c3)C2)[C@H]1c1ccc(OC)cc1 ZINC001448646298 1066946375 /nfs/dbraw/zinc/94/63/75/1066946375.db2.gz JPNWJYMHXHHPSV-LJGDZFJRSA-N 0 0 452.570 4.930 20 0 JJADRN O=C(COc1ccc(N2CCCC2=O)cc1)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457950671 1066946825 /nfs/dbraw/zinc/94/68/25/1066946825.db2.gz NCUNGWGKIIWSAU-RUZDIDTESA-N 0 0 452.913 4.891 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2cc(Br)cnc2Cl)C1 ZINC001457950054 1066946901 /nfs/dbraw/zinc/94/69/01/1066946901.db2.gz XASPBBRMJQPSDF-UHFFFAOYSA-N 0 0 459.775 4.908 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)Oc3ccccc32)cc1 ZINC001457952785 1066947166 /nfs/dbraw/zinc/94/71/66/1066947166.db2.gz INUMAZKZPMWUGW-UHFFFAOYSA-N 0 0 450.560 4.720 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC001492779394 1066947171 /nfs/dbraw/zinc/94/71/71/1066947171.db2.gz BUNVHFXOQUKLPR-OALUTQOASA-N 0 0 478.435 4.660 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001448665973 1066947214 /nfs/dbraw/zinc/94/72/14/1066947214.db2.gz CTNVRIOGGBFLGA-WFXMLNOXSA-N 0 0 459.359 4.645 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c2ccccc12 ZINC001457952352 1066947195 /nfs/dbraw/zinc/94/71/95/1066947195.db2.gz UKNJHCVQQWQWSS-UHFFFAOYSA-N 0 0 452.482 4.768 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n1 ZINC001457953814 1066947509 /nfs/dbraw/zinc/94/75/09/1066947509.db2.gz WIJDPFWECHNUCC-UHFFFAOYSA-N 0 0 451.621 4.828 20 0 JJADRN CCOc1cc(/C=C\C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccc1O ZINC001448670299 1066947618 /nfs/dbraw/zinc/94/76/18/1066947618.db2.gz KIPPVBYSEGMTKD-CLFYSBASSA-N 0 0 451.441 4.525 20 0 JJADRN CCCc1c(NC(=O)c2cccc(C(F)(F)F)c2N)cnn1-c1cc(F)c(OC)cc1F ZINC001448669848 1066947645 /nfs/dbraw/zinc/94/76/45/1066947645.db2.gz CPLNUPZDKGXVGD-UHFFFAOYSA-N 0 0 454.399 4.965 20 0 JJADRN COc1ccc(C(=O)CCC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1F ZINC001448667865 1066947754 /nfs/dbraw/zinc/94/77/54/1066947754.db2.gz GMEQZHMXWHRQBG-UHFFFAOYSA-N 0 0 453.432 4.638 20 0 JJADRN Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCc1ccc(Br)s1 ZINC001492782514 1066947989 /nfs/dbraw/zinc/94/79/89/1066947989.db2.gz PBHPWYKEJGIOAO-UHFFFAOYSA-N 0 0 471.428 4.534 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc(-c4nc(C)co4)c3)cc2)cc1 ZINC001457956046 1066948052 /nfs/dbraw/zinc/94/80/52/1066948052.db2.gz PTILAYBTGSNJAN-UHFFFAOYSA-N 0 0 455.514 4.770 20 0 JJADRN CCCc1c(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448672311 1066948158 /nfs/dbraw/zinc/94/81/58/1066948158.db2.gz HWKWIGFCYUMKSB-QGZVFWFLSA-N 0 0 457.477 4.532 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3cc(Br)cn3C)s2)c(F)c1 ZINC001457959407 1066948704 /nfs/dbraw/zinc/94/87/04/1066948704.db2.gz ZMMQASDBYQMALD-UHFFFAOYSA-N 0 0 452.349 4.639 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC001457959363 1066948802 /nfs/dbraw/zinc/94/88/02/1066948802.db2.gz XTKQIHJTZKIHGO-OAQYLSRUSA-N 0 0 456.608 4.514 20 0 JJADRN Cc1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001492785725 1066949068 /nfs/dbraw/zinc/94/90/68/1066949068.db2.gz SXZDZOCGPHLTSK-FQEVSTJZSA-N 0 0 460.022 4.708 20 0 JJADRN CCCc1c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cnn1-c1cc(F)c(OC)cc1F ZINC001448676366 1066949107 /nfs/dbraw/zinc/94/91/07/1066949107.db2.gz ONSGZZAJTRTBTI-UHFFFAOYSA-N 0 0 454.477 4.594 20 0 JJADRN COc1ccc2c(c1)[nH]nc2NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001448677949 1066949666 /nfs/dbraw/zinc/94/96/66/1066949666.db2.gz RYCDMHDBGWNPPM-UHFFFAOYSA-N 0 0 450.539 4.777 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC001457969260 1066949672 /nfs/dbraw/zinc/94/96/72/1066949672.db2.gz REPWHQHPRORXNL-FQEVSTJZSA-N 0 0 456.464 4.929 20 0 JJADRN Cc1nnc(N(Cc2ccco2)Cc2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001492789189 1066950027 /nfs/dbraw/zinc/95/00/27/1066950027.db2.gz PPLMUJDFCXKYDL-UHFFFAOYSA-N 0 0 457.456 4.771 20 0 JJADRN CCO[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC001448686229 1066950774 /nfs/dbraw/zinc/95/07/74/1066950774.db2.gz GCWCCEMPWKCBOO-QFIPXVFZSA-N 0 0 458.967 4.648 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)n2)c1 ZINC001448684554 1066950796 /nfs/dbraw/zinc/95/07/96/1066950796.db2.gz VDBYNFDZEADQMM-CYBMUJFWSA-N 0 0 456.934 4.667 20 0 JJADRN Cc1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492794037 1066950809 /nfs/dbraw/zinc/95/08/09/1066950809.db2.gz VESQJDACOONZEG-QMMLZNLJSA-N 0 0 475.659 4.794 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3cc4c([nH]c3=O)CCC[C@H]4O)ccc2OC(F)F)cc1 ZINC001448684335 1066951033 /nfs/dbraw/zinc/95/10/33/1066951033.db2.gz DMCFJTIMOJOJOH-HXUWFJFHSA-N 0 0 456.445 4.686 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546095628 1066951120 /nfs/dbraw/zinc/95/11/20/1066951120.db2.gz QEPKYCPPUZHSCU-VWLOTQADSA-N 0 0 469.655 4.685 20 0 JJADRN O=C(Nc1ccc2c(n1)CCCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC001457981109 1066951186 /nfs/dbraw/zinc/95/11/86/1066951186.db2.gz DAQKKXASKLXXMX-UHFFFAOYSA-N 0 0 459.930 4.806 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492798421 1066951368 /nfs/dbraw/zinc/95/13/68/1066951368.db2.gz GGARBJWBMBQIMY-CQSZACIVSA-N 0 0 485.473 4.555 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001457981239 1066951591 /nfs/dbraw/zinc/95/15/91/1066951591.db2.gz NWMLJKGZCSRGAM-JTHBVZDNSA-N 0 0 452.595 4.927 20 0 JJADRN Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492798479 1066951765 /nfs/dbraw/zinc/95/17/65/1066951765.db2.gz GYQIAKBOZVXJAR-PKOBYXMFSA-N 0 0 457.644 4.651 20 0 JJADRN CCc1ccc(-c2cc(C(=O)NCc3noc(-c4cccc(Br)c4)n3)no2)cc1 ZINC001448689949 1066952144 /nfs/dbraw/zinc/95/21/44/1066952144.db2.gz ZDQGSXMXELSRDJ-UHFFFAOYSA-N 0 0 453.296 4.647 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492798716 1066952198 /nfs/dbraw/zinc/95/21/98/1066952198.db2.gz LDCOSAVLWQQXSJ-FNHZYXHNSA-N 0 0 496.425 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCOCc2ccc(Cl)cc2)CC[C@@H]2CCCC[C@@H]21 ZINC001457988377 1066952747 /nfs/dbraw/zinc/95/27/47/1066952747.db2.gz JSRSJGWZFOTBSH-JBACZVJFSA-N 0 0 451.007 4.931 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC001457987951 1066952783 /nfs/dbraw/zinc/95/27/83/1066952783.db2.gz GNOFQQPJNBSBDJ-VWLOTQADSA-N 0 0 452.982 4.510 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001457988085 1066953340 /nfs/dbraw/zinc/95/33/40/1066953340.db2.gz XGXIOOLEEWXZIP-OAHLLOKOSA-N 0 0 451.201 4.783 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC001448721382 1066953530 /nfs/dbraw/zinc/95/35/30/1066953530.db2.gz NSUIOHFSTDMNQM-ISJGIBHGSA-N 0 0 455.643 4.574 20 0 JJADRN Cc1cc(SCC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c(C)cc1Br ZINC001457991121 1066953692 /nfs/dbraw/zinc/95/36/92/1066953692.db2.gz CZIVLSFVRFCJFU-INIZCTEOSA-N 0 0 450.398 4.796 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1 ZINC001457991563 1066953740 /nfs/dbraw/zinc/95/37/40/1066953740.db2.gz IQJIXXFKWZHIAZ-UHFFFAOYSA-N 0 0 450.576 4.605 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCc1cccc2[nH]ccc21 ZINC001492804620 1066953788 /nfs/dbraw/zinc/95/37/88/1066953788.db2.gz LYYLNRJMKPSHML-UHFFFAOYSA-N 0 0 466.630 4.784 20 0 JJADRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(COc2ccccc2Br)cc1 ZINC001457993791 1066954135 /nfs/dbraw/zinc/95/41/35/1066954135.db2.gz QUFIMBKNYAYYSW-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN Cc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001492813970 1066954309 /nfs/dbraw/zinc/95/43/09/1066954309.db2.gz DLMOOHZGIMHVCM-UHFFFAOYSA-N 0 0 480.922 4.705 20 0 JJADRN Cc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492815954 1066954834 /nfs/dbraw/zinc/95/48/34/1066954834.db2.gz UXZYJZFCVUBMCC-CYBMUJFWSA-N 0 0 457.909 4.616 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001448732846 1066954873 /nfs/dbraw/zinc/95/48/73/1066954873.db2.gz HOIPDLXQAICPBZ-NWSQWKLXSA-N 0 0 452.599 4.613 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001492821322 1066954869 /nfs/dbraw/zinc/95/48/69/1066954869.db2.gz QUYUMQVRGMLZHM-WFHLNLCJSA-N 0 0 461.601 4.732 20 0 JJADRN Cc1nnc(N2CCc3ccc(Br)cc3C2)n1Cc1ccsc1Br ZINC001492834014 1066955472 /nfs/dbraw/zinc/95/54/72/1066955472.db2.gz BAVRJRLFENQRIP-UHFFFAOYSA-N 0 0 468.218 4.784 20 0 JJADRN C[C@](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)(c1ccccc1)C(F)(F)F ZINC001458002029 1066955733 /nfs/dbraw/zinc/95/57/33/1066955733.db2.gz JWWNUVIJPVEPHX-KRWDZBQOSA-N 0 0 458.303 4.963 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492836698 1066955837 /nfs/dbraw/zinc/95/58/37/1066955837.db2.gz BBCHHMAERSHOIX-ZMSDIMECSA-N 0 0 470.927 4.784 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492839458 1066956188 /nfs/dbraw/zinc/95/61/88/1066956188.db2.gz UJWXTAJYDKNMRS-GDBMZVCRSA-N 0 0 485.526 4.922 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC001448772106 1066956287 /nfs/dbraw/zinc/95/62/87/1066956287.db2.gz DOQJFUVEPCSEQY-UHFFFAOYSA-N 0 0 453.498 4.930 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492839462 1066956206 /nfs/dbraw/zinc/95/62/06/1066956206.db2.gz UJWXTAJYDKNMRS-GOEBONIOSA-N 0 0 485.526 4.922 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492838970 1066956328 /nfs/dbraw/zinc/95/63/28/1066956328.db2.gz RBOXYFMWRXDXKK-AFVILVPDSA-N 0 0 463.667 4.700 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492842802 1066956669 /nfs/dbraw/zinc/95/66/69/1066956669.db2.gz FRUJWQJTAGYHAA-HNNXBMFYSA-N 0 0 496.525 4.720 20 0 JJADRN CN(C(=O)CCCCCc1ccc(I)cc1)c1ccc2c(c1)OCO2 ZINC001458012082 1066956672 /nfs/dbraw/zinc/95/66/72/1066956672.db2.gz KKEPXZJQHBRFNS-UHFFFAOYSA-N 0 0 451.304 4.786 20 0 JJADRN COCCn1cc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)c2ccccc21 ZINC001448776186 1066957105 /nfs/dbraw/zinc/95/71/05/1066957105.db2.gz RCARJRVMIHVWHX-UHFFFAOYSA-N 0 0 456.384 4.925 20 0 JJADRN CC(=O)N1CC[C@@H](NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c2ccccc21 ZINC001458017016 1066957260 /nfs/dbraw/zinc/95/72/60/1066957260.db2.gz GCXNWTBOIZMHHF-LJQANCHMSA-N 0 0 455.967 4.912 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001458026008 1066958099 /nfs/dbraw/zinc/95/80/99/1066958099.db2.gz XDGJAUVEWXKRFR-HXUWFJFHSA-N 0 0 457.958 4.608 20 0 JJADRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001448795649 1066958036 /nfs/dbraw/zinc/95/80/36/1066958036.db2.gz ZPGKOJWCAXFHFE-IIBYNOLFSA-N 0 0 456.340 4.825 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001448789729 1066958125 /nfs/dbraw/zinc/95/81/25/1066958125.db2.gz BPHYIHCNLICMAF-QGZVFWFLSA-N 0 0 450.460 4.900 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3nc4ccccc4s3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492848286 1066958016 /nfs/dbraw/zinc/95/80/16/1066958016.db2.gz NZVMJLHEDNUHOV-FUHWJXTLSA-N 0 0 470.643 4.836 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492848900 1066958052 /nfs/dbraw/zinc/95/80/52/1066958052.db2.gz QRCNXVWUOCOTKT-NJDAHSKKSA-N 0 0 477.694 4.900 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001448802103 1066958420 /nfs/dbraw/zinc/95/84/20/1066958420.db2.gz ZPXMFTQHFNMVED-LBPRGKRZSA-N 0 0 457.329 4.976 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492851498 1066958577 /nfs/dbraw/zinc/95/85/77/1066958577.db2.gz FDKRAQXVKZTHQS-LPHOPBHVSA-N 0 0 496.425 4.801 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001492851773 1066958898 /nfs/dbraw/zinc/95/88/98/1066958898.db2.gz JYHNOBADZGHKHZ-GHTZIAJQSA-N 0 0 492.615 4.582 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC[C@H](NC1CC1)C(F)(F)F ZINC001458035831 1066959126 /nfs/dbraw/zinc/95/91/26/1066959126.db2.gz FYRBHXJKTXAUNQ-HNNXBMFYSA-N 0 0 451.436 4.561 20 0 JJADRN Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492866008 1066959348 /nfs/dbraw/zinc/95/93/48/1066959348.db2.gz AFUIFGGBQHIINK-UHFFFAOYSA-N 0 0 487.073 4.589 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC001458041094 1066959374 /nfs/dbraw/zinc/95/93/74/1066959374.db2.gz RUTYKWGHOCCMLK-GFCCVEGCSA-N 0 0 454.754 4.807 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC001458041333 1066959439 /nfs/dbraw/zinc/95/94/39/1066959439.db2.gz KUECGHBRFZEQNL-UHFFFAOYSA-N 0 0 456.153 4.940 20 0 JJADRN COc1ccc(C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)nc1I ZINC001458043119 1066959543 /nfs/dbraw/zinc/95/95/43/1066959543.db2.gz PWBZLPINSGNNNT-SECBINFHSA-N 0 0 451.182 4.632 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC001458041917 1066959568 /nfs/dbraw/zinc/95/95/68/1066959568.db2.gz MYJBZUOZBIQHCN-HSZRJFAPSA-N 0 0 452.982 4.886 20 0 JJADRN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492897175 1066959513 /nfs/dbraw/zinc/95/95/13/1066959513.db2.gz XHWVKCHFKZZJPJ-KBXCAEBGSA-N 0 0 482.398 4.505 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001492902740 1066959825 /nfs/dbraw/zinc/95/98/25/1066959825.db2.gz XEXWMQCPYMPSLC-JOCHJYFZSA-N 0 0 458.532 4.767 20 0 JJADRN CC1(F)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)C1 ZINC001448820826 1066959920 /nfs/dbraw/zinc/95/99/20/1066959920.db2.gz CTSTZZXVWVDLLY-UHFFFAOYSA-N 0 0 451.354 4.904 20 0 JJADRN Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@H]1CCCSC1 ZINC001492901908 1066959939 /nfs/dbraw/zinc/95/99/39/1066959939.db2.gz OGOFPFAKRFAHCS-OAHLLOKOSA-N 0 0 459.969 4.729 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCOC1CCCCCC1 ZINC001492940848 1066960703 /nfs/dbraw/zinc/96/07/03/1066960703.db2.gz DIJWBEPZMHOIRJ-OAQYLSRUSA-N 0 0 452.521 4.923 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCOC1CCCCCC1 ZINC001492940842 1066960916 /nfs/dbraw/zinc/96/09/16/1066960916.db2.gz DIJWBEPZMHOIRJ-NRFANRHFSA-N 0 0 452.521 4.923 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492944435 1066961353 /nfs/dbraw/zinc/96/13/53/1066961353.db2.gz UIDGXIZDSMZPKP-MGPUTAFESA-N 0 0 498.455 4.974 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCOc4c(Br)cccc4C3)nc2)c1 ZINC001448837872 1066961677 /nfs/dbraw/zinc/96/16/77/1066961677.db2.gz ZXHOTKYQWCRUQR-UHFFFAOYSA-N 0 0 455.308 4.680 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001492948934 1066961646 /nfs/dbraw/zinc/96/16/46/1066961646.db2.gz NFOUJWGUPQOGQP-INIZCTEOSA-N 0 0 472.920 4.869 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492949334 1066961892 /nfs/dbraw/zinc/96/18/92/1066961892.db2.gz SWCRDTBAKVIAQH-HNNXBMFYSA-N 0 0 486.951 4.795 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)Cc1cccc2ccc(OC)cc21 ZINC001458054156 1066962008 /nfs/dbraw/zinc/96/20/08/1066962008.db2.gz PNUJIGVPBYLZCG-QFIPXVFZSA-N 0 0 456.336 4.526 20 0 JJADRN CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3ccc(Cl)cc3-c3ccc(Cl)cc3)c2C1 ZINC001448841300 1066962094 /nfs/dbraw/zinc/96/20/94/1066962094.db2.gz WBMJXZNDEZTLPV-HNNXBMFYSA-N 0 0 457.361 4.808 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)C3)cc1 ZINC001448841050 1066962114 /nfs/dbraw/zinc/96/21/14/1066962114.db2.gz HKPYUAZGOJEZEO-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1ccccc1OC(F)F ZINC001492956307 1066962127 /nfs/dbraw/zinc/96/21/27/1066962127.db2.gz QZVPETIIUCLRAE-SFHVURJKSA-N 0 0 477.581 4.763 20 0 JJADRN Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492966599 1066962237 /nfs/dbraw/zinc/96/22/37/1066962237.db2.gz WVVPWXHXHVRTLZ-MRXNPFEDSA-N 0 0 470.643 4.683 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492955812 1066962277 /nfs/dbraw/zinc/96/22/77/1066962277.db2.gz OJRJFTABUBJCOQ-GOSISDBHSA-N 0 0 495.571 4.908 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001492955734 1066962304 /nfs/dbraw/zinc/96/23/04/1066962304.db2.gz NCTGPSRZYIGQGJ-BEFAXECRSA-N 0 0 459.591 4.525 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458054764 1066962478 /nfs/dbraw/zinc/96/24/78/1066962478.db2.gz IKZHRVFGKNYNMK-KRWDZBQOSA-N 0 0 452.551 4.696 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448843290 1066962577 /nfs/dbraw/zinc/96/25/77/1066962577.db2.gz LVHXVWJWKZKGGC-DOTOQJQBSA-N 0 0 455.521 4.823 20 0 JJADRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1[nH]c2ccccc2c1Cl ZINC001545694985 1066962735 /nfs/dbraw/zinc/96/27/35/1066962735.db2.gz AEVAXHAGBFDSAA-UHFFFAOYSA-N 0 0 457.914 4.691 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC001458056068 1066962920 /nfs/dbraw/zinc/96/29/20/1066962920.db2.gz DNISMIABRQNIRB-LJQANCHMSA-N 0 0 452.599 4.741 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001448846781 1066963294 /nfs/dbraw/zinc/96/32/94/1066963294.db2.gz PQZYFJSVEPJCKM-WMLDXEAASA-N 0 0 455.393 4.754 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCCC[C@H]3C(=O)OCc3ccccc3)[nH]c21 ZINC001448845835 1066963480 /nfs/dbraw/zinc/96/34/80/1066963480.db2.gz JIJWYYJGNXCZEE-FQEVSTJZSA-N 0 0 455.352 4.977 20 0 JJADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001545697628 1066963476 /nfs/dbraw/zinc/96/34/76/1066963476.db2.gz RPNOXVVGKMBYKF-HNNXBMFYSA-N 0 0 451.415 4.582 20 0 JJADRN CC(C)c1n[nH]c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1Br ZINC001545697742 1066963564 /nfs/dbraw/zinc/96/35/64/1066963564.db2.gz VZLZBFVTVGSOIR-UHFFFAOYSA-N 0 0 459.319 4.617 20 0 JJADRN O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC001545697467 1066963587 /nfs/dbraw/zinc/96/35/87/1066963587.db2.gz NHXKHDGPGFNLTO-UHFFFAOYSA-N 0 0 454.501 4.630 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001545699592 1066963859 /nfs/dbraw/zinc/96/38/59/1066963859.db2.gz YXHCNIZMWUXVSQ-MJGOQNOKSA-N 0 0 488.702 4.572 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545699148 1066963890 /nfs/dbraw/zinc/96/38/90/1066963890.db2.gz SEKJDVCIWJFOPD-GDBMZVCRSA-N 0 0 484.592 4.710 20 0 JJADRN C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001458058305 1066963998 /nfs/dbraw/zinc/96/39/98/1066963998.db2.gz WDTRQLLWETUQHM-MSOLQXFVSA-N 0 0 454.567 4.724 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545699408 1066963949 /nfs/dbraw/zinc/96/39/49/1066963949.db2.gz WHJNDOXYMTUIJQ-FYYLOGMGSA-N 0 0 467.658 4.691 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545699150 1066964010 /nfs/dbraw/zinc/96/40/10/1066964010.db2.gz SEKJDVCIWJFOPD-HOCLYGCPSA-N 0 0 484.592 4.710 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545699151 1066964022 /nfs/dbraw/zinc/96/40/22/1066964022.db2.gz SEKJDVCIWJFOPD-ZBFHGGJFSA-N 0 0 484.592 4.710 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458058346 1066964042 /nfs/dbraw/zinc/96/40/42/1066964042.db2.gz KMNKQXXKCQTNSF-ONTIZHBOSA-N 0 0 458.647 4.573 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001545700203 1066964230 /nfs/dbraw/zinc/96/42/30/1066964230.db2.gz LZTYRSVJUNPIIT-LFRSYBKYSA-N 0 0 452.620 4.959 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)cc2)c1 ZINC001458059877 1066964439 /nfs/dbraw/zinc/96/44/39/1066964439.db2.gz ZMPSXBXFFULRNF-UHFFFAOYSA-N 0 0 450.579 4.555 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458060223 1066964525 /nfs/dbraw/zinc/96/45/25/1066964525.db2.gz QYBAZPSQMFLAIQ-TZIWHRDSSA-N 0 0 458.647 4.573 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)C1)NC(=O)OC(C)(C)C ZINC001546010044 1066964762 /nfs/dbraw/zinc/96/47/62/1066964762.db2.gz DMRBEEBBTJBKNJ-SOAGJPPSSA-N 0 0 475.609 4.653 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001545702038 1066964787 /nfs/dbraw/zinc/96/47/87/1066964787.db2.gz UVTZLDUTKZISFH-KRWDZBQOSA-N 0 0 485.579 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)NCc3c(F)cccc3OC(F)F)cc21 ZINC001448857847 1066964802 /nfs/dbraw/zinc/96/48/02/1066964802.db2.gz JZXLIQDSTNNKJG-UHFFFAOYSA-N 0 0 450.457 4.584 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)[C@H](C)n3cnc4c3ncnc4N)c2)cc1 ZINC001545702996 1066965143 /nfs/dbraw/zinc/96/51/43/1066965143.db2.gz WBKCOVBZROBARC-MSOLQXFVSA-N 0 0 458.566 4.643 20 0 JJADRN Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 ZINC001545702734 1066965161 /nfs/dbraw/zinc/96/51/61/1066965161.db2.gz MIWXSBHYJXMPFD-INIZCTEOSA-N 0 0 456.564 4.523 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001448861919 1066965230 /nfs/dbraw/zinc/96/52/30/1066965230.db2.gz DCNOBCLGWGVQRH-XMSQKQJNSA-N 0 0 458.002 4.939 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)s2)cc1 ZINC001458065191 1066965310 /nfs/dbraw/zinc/96/53/10/1066965310.db2.gz QIWVMUMSUYETHV-UTKZUKDTSA-N 0 0 450.560 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2sccc2Br)C1 ZINC001448867082 1066965617 /nfs/dbraw/zinc/96/56/17/1066965617.db2.gz HXENJZKAJVVEBT-IAGOWNOFSA-N 0 0 479.440 4.853 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)nc1C(C)C ZINC001458067082 1066965672 /nfs/dbraw/zinc/96/56/72/1066965672.db2.gz KLRJXDQLQPEOBD-HZPDHXFCSA-N 0 0 457.596 4.948 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)COc2ccc3c(c2)CCCC3)nc(N2CCCCC2)n1 ZINC001458066835 1066965678 /nfs/dbraw/zinc/96/56/78/1066965678.db2.gz DFWUNNUKISGOGL-UHFFFAOYSA-N 0 0 450.627 4.718 20 0 JJADRN COc1ccc(N(CCC(=O)N[C@H]2CCC(C)(C)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001458068746 1066966210 /nfs/dbraw/zinc/96/62/10/1066966210.db2.gz YAPAPPNGCBMSIW-FQEVSTJZSA-N 0 0 458.624 4.592 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001458067624 1066966219 /nfs/dbraw/zinc/96/62/19/1066966219.db2.gz KUYSALWWIHSSPX-KDOFPFPSSA-N 0 0 459.400 4.965 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001546010258 1066966336 /nfs/dbraw/zinc/96/63/36/1066966336.db2.gz IWGBXEBJVRVPSJ-JTHBVZDNSA-N 0 0 466.630 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC001448881841 1066966377 /nfs/dbraw/zinc/96/63/77/1066966377.db2.gz GAYKKKRSRNBKHC-BBRMVZONSA-N 0 0 455.418 4.749 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)c3cnc(Br)c(OC)c3)cc2)cc1 ZINC001458070447 1066966866 /nfs/dbraw/zinc/96/68/66/1066966866.db2.gz JHCBNUQNXBEKPH-UHFFFAOYSA-N 0 0 457.324 4.626 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CSc3ccc(Br)cc32)o1 ZINC001448890886 1066967171 /nfs/dbraw/zinc/96/71/71/1066967171.db2.gz UJPXUGCYYRFSFB-AWEZNQCLSA-N 0 0 453.358 4.644 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001458071567 1066967205 /nfs/dbraw/zinc/96/72/05/1066967205.db2.gz WVWUYCDZBQQNGG-NRFANRHFSA-N 0 0 451.375 4.680 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc1 ZINC001458072546 1066967214 /nfs/dbraw/zinc/96/72/14/1066967214.db2.gz DTTAJMBYKXBPTM-UHFFFAOYSA-N 0 0 455.356 4.759 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 ZINC001545705636 1066967250 /nfs/dbraw/zinc/96/72/50/1066967250.db2.gz DHCJNVKTCRCMOE-UTKZUKDTSA-N 0 0 460.022 4.584 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001545706205 1066967621 /nfs/dbraw/zinc/96/76/21/1066967621.db2.gz NUKCSTMUEVJJMR-QPTUXGOLSA-N 0 0 451.659 4.917 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)cc2)cc1 ZINC001458073616 1066967563 /nfs/dbraw/zinc/96/75/63/1066967563.db2.gz SDUDQVPZLHKOJI-HRFSGMKKSA-N 0 0 466.578 4.936 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001458073637 1066967579 /nfs/dbraw/zinc/96/75/79/1066967579.db2.gz PKQZCTHGSLYGBM-JOCHJYFZSA-N 0 0 456.995 4.570 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001545706345 1066967821 /nfs/dbraw/zinc/96/78/21/1066967821.db2.gz PQVBHRONZFQJLB-NHCUHLMSSA-N 0 0 485.673 4.597 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001545706344 1066967860 /nfs/dbraw/zinc/96/78/60/1066967860.db2.gz PQVBHRONZFQJLB-LEWJYISDSA-N 0 0 485.673 4.597 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001545706334 1066967942 /nfs/dbraw/zinc/96/79/42/1066967942.db2.gz PMKJUGYLCBUBCD-SIKLNZKXSA-N 0 0 465.598 4.713 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448896626 1066968090 /nfs/dbraw/zinc/96/80/90/1066968090.db2.gz ANZMVDHJFKEFDE-ZRBLBEILSA-N 0 0 452.599 4.708 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001545706452 1066968232 /nfs/dbraw/zinc/96/82/32/1066968232.db2.gz RSARBDJPTVXATP-KDYSTLNUSA-N 0 0 499.725 4.927 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001545706811 1066968690 /nfs/dbraw/zinc/96/86/90/1066968690.db2.gz YQVGVBAEABNZEM-YYWHXJBOSA-N 0 0 492.089 4.676 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458078162 1066968729 /nfs/dbraw/zinc/96/87/29/1066968729.db2.gz SAEYIELTYABTQP-FGZHOGPDSA-N 0 0 458.566 4.732 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001546010420 1066968931 /nfs/dbraw/zinc/96/89/31/1066968931.db2.gz LNGOPCVRACVBRW-XMMPIXPASA-N 0 0 497.684 4.564 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458078173 1066968809 /nfs/dbraw/zinc/96/88/09/1066968809.db2.gz SAFRETDHOXXMLO-AVRDEDQJSA-N 0 0 453.905 4.832 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458078167 1066968820 /nfs/dbraw/zinc/96/88/20/1066968820.db2.gz SAEYIELTYABTQP-YADHBBJMSA-N 0 0 458.566 4.732 20 0 JJADRN COc1cc(C(F)(F)F)nc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)n1 ZINC001458079479 1066969244 /nfs/dbraw/zinc/96/92/44/1066969244.db2.gz RXVOLPAAVWIZET-JTQLQIEISA-N 0 0 458.897 4.512 20 0 JJADRN C[C@@H]1OCC[C@@]12CN(C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C[C@@H](C)O2 ZINC001448915446 1066969331 /nfs/dbraw/zinc/96/93/31/1066969331.db2.gz CBLZTEPZLCWMNG-WDQPAMAPSA-N 0 0 450.362 4.908 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001545708855 1066969386 /nfs/dbraw/zinc/96/93/86/1066969386.db2.gz QUHZGTIIGBCTHW-WKKBNRPRSA-N 0 0 485.648 4.635 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001545709198 1066969521 /nfs/dbraw/zinc/96/95/21/1066969521.db2.gz XNTSYQJZTXRXEI-IRXDYDNUSA-N 0 0 499.603 4.663 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458080246 1066969684 /nfs/dbraw/zinc/96/96/84/1066969684.db2.gz YOUAWOVIIOWRKL-FKBYEOEOSA-N 0 0 453.384 4.563 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2F)n1)c1ccc(COc2cccc(Br)c2)o1 ZINC001458081569 1066969710 /nfs/dbraw/zinc/96/97/10/1066969710.db2.gz HILUTLBGHSIXCY-UHFFFAOYSA-N 0 0 457.259 4.593 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC001545710047 1066969828 /nfs/dbraw/zinc/96/98/28/1066969828.db2.gz QYJFZZWPBUZUEB-GJZGRUSLSA-N 0 0 452.395 4.690 20 0 JJADRN CC[C@@H](C)Oc1cc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 ZINC001458083769 1066969977 /nfs/dbraw/zinc/96/99/77/1066969977.db2.gz IGWWYIYJMQHAAC-MRXNPFEDSA-N 0 0 456.591 4.819 20 0 JJADRN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001545710610 1066970286 /nfs/dbraw/zinc/97/02/86/1066970286.db2.gz DMRLLYLDHODVSB-LKUPVBHCSA-N 0 0 493.483 4.506 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001545710612 1066970297 /nfs/dbraw/zinc/97/02/97/1066970297.db2.gz DNNDABAUTHQNOZ-CAOCKLPOSA-N 0 0 494.728 4.683 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001448923582 1066970511 /nfs/dbraw/zinc/97/05/11/1066970511.db2.gz IVGWCIFRDGWRAG-KRWDZBQOSA-N 0 0 451.958 4.971 20 0 JJADRN Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2Br)c1NC(=O)c1ccncc1 ZINC001448923229 1066970586 /nfs/dbraw/zinc/97/05/86/1066970586.db2.gz SPMKPUOWWUJRNI-UHFFFAOYSA-N 0 0 456.315 4.816 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001545712433 1066970485 /nfs/dbraw/zinc/97/04/85/1066970485.db2.gz WYIYKTFORNXHQQ-KRWDZBQOSA-N 0 0 453.901 4.506 20 0 JJADRN CCOc1ccc(OCc2nnc(Sc3cnc(F)cn3)n2-c2ccc(Cl)cc2)cc1 ZINC001458085940 1066970447 /nfs/dbraw/zinc/97/04/47/1066970447.db2.gz UTSUHSSPZPRDKM-UHFFFAOYSA-N 0 0 457.918 4.979 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001545715993 1066971002 /nfs/dbraw/zinc/97/10/02/1066971002.db2.gz DGBMTOKCASRMSY-FGZHOGPDSA-N 0 0 458.624 4.938 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001545716563 1066971026 /nfs/dbraw/zinc/97/10/26/1066971026.db2.gz UDNFXVFUIAYPGT-LOSJGSFVSA-N 0 0 456.542 4.612 20 0 JJADRN O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001545716594 1066971363 /nfs/dbraw/zinc/97/13/63/1066971363.db2.gz UTKOCRXQHLWYGN-RSXGOPAZSA-N 0 0 458.558 4.950 20 0 JJADRN O=C([C@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001448933621 1066971496 /nfs/dbraw/zinc/97/14/96/1066971496.db2.gz NMBHRQLRBIYWKM-DLBZAZTESA-N 0 0 450.423 4.950 20 0 JJADRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001545716592 1066971396 /nfs/dbraw/zinc/97/13/96/1066971396.db2.gz UTKOCRXQHLWYGN-AOYPEHQESA-N 0 0 458.558 4.950 20 0 JJADRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001545716593 1066971467 /nfs/dbraw/zinc/97/14/67/1066971467.db2.gz UTKOCRXQHLWYGN-AZGAKELHSA-N 0 0 458.558 4.950 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545716882 1066971801 /nfs/dbraw/zinc/97/18/01/1066971801.db2.gz BRNIJUOPKJYNAJ-GHTZIAJQSA-N 0 0 482.641 4.905 20 0 JJADRN CC(C)n1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)cn1 ZINC001448936588 1066971888 /nfs/dbraw/zinc/97/18/88/1066971888.db2.gz UWIQGOJZBFVBOO-IBGZPJMESA-N 0 0 452.418 4.643 20 0 JJADRN COc1ccc(COCC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc1 ZINC001458092282 1066972153 /nfs/dbraw/zinc/97/21/53/1066972153.db2.gz GEERDOVUPMUKRA-KRWDZBQOSA-N 0 0 458.530 4.523 20 0 JJADRN COc1cc(NC(C)=O)ccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001458092245 1066972185 /nfs/dbraw/zinc/97/21/85/1066972185.db2.gz JLXLMPYJFKAUON-UHFFFAOYSA-N 0 0 452.355 4.853 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Br)o2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458092267 1066972216 /nfs/dbraw/zinc/97/22/16/1066972216.db2.gz FUWPKMVNDQYJAK-GFCCVEGCSA-N 0 0 453.308 4.967 20 0 JJADRN Nc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001448938028 1066972311 /nfs/dbraw/zinc/97/23/11/1066972311.db2.gz MVDVFVCHSXTJBQ-UHFFFAOYSA-N 0 0 456.262 4.538 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545717379 1066972268 /nfs/dbraw/zinc/97/22/68/1066972268.db2.gz KOWFKYPVCVKECV-XVWAWNKYSA-N 0 0 490.714 4.529 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC001458091951 1066972335 /nfs/dbraw/zinc/97/23/35/1066972335.db2.gz KCRNCONAZDDXAD-SNVBAGLBSA-N 0 0 453.130 4.527 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC1CCCC1)c1ccccc1 ZINC001545719173 1066973190 /nfs/dbraw/zinc/97/31/90/1066973190.db2.gz BWFQCFFKWWQMIA-XMMPIXPASA-N 0 0 453.675 4.805 20 0 JJADRN CC(C)c1c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccc1 ZINC001448959599 1066973271 /nfs/dbraw/zinc/97/32/71/1066973271.db2.gz ARWKZPQJMAUASV-HXOBKFHXSA-N 0 0 454.933 4.946 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCSC1 ZINC001448961466 1066973528 /nfs/dbraw/zinc/97/35/28/1066973528.db2.gz JRTHIWZSWMCFCV-KOSHJBKYSA-N 0 0 452.620 4.809 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545719788 1066973896 /nfs/dbraw/zinc/97/38/96/1066973896.db2.gz MEKNFCBFEFPCRY-VNXZQDSDSA-N 0 0 457.688 4.845 20 0 JJADRN CN1C(=O)Cc2cc(NC(=O)c3cc(Br)ccc3OCc3ccccc3)ccc21 ZINC001448966130 1066973949 /nfs/dbraw/zinc/97/39/49/1066973949.db2.gz WSGAGJWTFPMGNN-UHFFFAOYSA-N 0 0 451.320 4.799 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545719887 1066974073 /nfs/dbraw/zinc/97/40/73/1066974073.db2.gz NSMYJDAQNGODPW-VHYCJAOWSA-N 0 0 478.641 4.551 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545720037 1066974110 /nfs/dbraw/zinc/97/41/10/1066974110.db2.gz QEIYTMFBLDVYPJ-FGZHOGPDSA-N 0 0 479.591 4.710 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)cs1 ZINC001448966618 1066974211 /nfs/dbraw/zinc/97/42/11/1066974211.db2.gz UEQQARBTDVJRIN-OAHLLOKOSA-N 0 0 453.568 4.818 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc(OC)c1C ZINC001458098106 1066974611 /nfs/dbraw/zinc/97/46/11/1066974611.db2.gz XMUOUBSKACGUBD-OAHLLOKOSA-N 0 0 458.530 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)on2)CC1 ZINC001448974084 1066974946 /nfs/dbraw/zinc/97/49/46/1066974946.db2.gz WOJLFQLLTKOZAT-UYAOXDASSA-N 0 0 457.546 4.994 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001448977596 1066974972 /nfs/dbraw/zinc/97/49/72/1066974972.db2.gz UJZYALXLJGQYNA-DLBZAZTESA-N 0 0 459.413 4.902 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc(OC)c1 ZINC001545720925 1066975285 /nfs/dbraw/zinc/97/52/85/1066975285.db2.gz JJRZNXKKSHCIOL-GOSISDBHSA-N 0 0 455.938 4.731 20 0 JJADRN C[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001448987307 1066975310 /nfs/dbraw/zinc/97/53/10/1066975310.db2.gz RZHVQRJJMQCFSD-CYBMUJFWSA-N 0 0 451.350 4.867 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC001458101215 1066975317 /nfs/dbraw/zinc/97/53/17/1066975317.db2.gz DZFISKNPOONFNJ-UHFFFAOYSA-N 0 0 455.396 4.813 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)cc1 ZINC001458100303 1066975417 /nfs/dbraw/zinc/97/54/17/1066975417.db2.gz BFYMJBLJOSOTNZ-SFHVURJKSA-N 0 0 458.454 4.507 20 0 JJADRN C=C1c2ccccc2C(=O)N1CCC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458101450 1066975777 /nfs/dbraw/zinc/97/57/77/1066975777.db2.gz HYFMKBGLUDIZDP-UHFFFAOYSA-N 0 0 453.380 4.894 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721674 1066976090 /nfs/dbraw/zinc/97/60/90/1066976090.db2.gz DVGJUNBTMQSIMZ-ICSRJNTNSA-N 0 0 478.670 4.911 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC001546010908 1066976140 /nfs/dbraw/zinc/97/61/40/1066976140.db2.gz UZNPGKRVVHUCLD-GGAORHGYSA-N 0 0 450.631 4.585 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H](c3ccccc3)C(C)(C)CO)cc2)CC1 ZINC001448995163 1066976150 /nfs/dbraw/zinc/97/61/50/1066976150.db2.gz FOJYNMUVWBVCLI-AREMUKBSSA-N 0 0 451.611 4.518 20 0 JJADRN COCCCC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)c1ccccc1 ZINC001449005902 1066976489 /nfs/dbraw/zinc/97/64/89/1066976489.db2.gz ZDKQEDYKFYXXEW-WOJBJXKFSA-N 0 0 456.587 4.531 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCCc1nccs1)c1ccccc1 ZINC001545721688 1066976560 /nfs/dbraw/zinc/97/65/60/1066976560.db2.gz FDICAEPRCIVTMT-OAQYLSRUSA-N 0 0 463.655 4.896 20 0 JJADRN C[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458103741 1066976566 /nfs/dbraw/zinc/97/65/66/1066976566.db2.gz HXAUUQHJYYWNER-CJFMBICVSA-N 0 0 455.570 4.607 20 0 JJADRN C[C@@H]1[C@@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001458103801 1066976603 /nfs/dbraw/zinc/97/66/03/1066976603.db2.gz IEZRWNVGNCHINH-UTKZUKDTSA-N 0 0 458.549 4.880 20 0 JJADRN C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458103745 1066976666 /nfs/dbraw/zinc/97/66/66/1066976666.db2.gz HXAUUQHJYYWNER-CPJSRVTESA-N 0 0 455.570 4.607 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CC)Oc1ccccc1F ZINC001546010951 1066976613 /nfs/dbraw/zinc/97/66/13/1066976613.db2.gz VOLUVLQSVXDRFS-MSOLQXFVSA-N 0 0 471.602 4.645 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CC)Oc1ccccc1F ZINC001546010952 1066976653 /nfs/dbraw/zinc/97/66/53/1066976653.db2.gz VOLUVLQSVXDRFS-QZTJIDSGSA-N 0 0 471.602 4.645 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545721926 1066976571 /nfs/dbraw/zinc/97/65/71/1066976571.db2.gz JWPUOKJPNAIOHS-MQFAKOPTSA-N 0 0 457.644 4.608 20 0 JJADRN CC(=O)N[C@H](CC(=O)NC(Cc1ccccc1F)Cc1ccccc1F)c1ccc(C)cc1 ZINC001458105444 1066977028 /nfs/dbraw/zinc/97/70/28/1066977028.db2.gz NCBKGCUGQIEBAM-AREMUKBSSA-N 0 0 450.529 4.811 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458104578 1066977049 /nfs/dbraw/zinc/97/70/49/1066977049.db2.gz KZGXDUDSOZUUGD-VFNWGFHPSA-N 0 0 453.457 4.649 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1C ZINC001449013019 1066977109 /nfs/dbraw/zinc/97/71/09/1066977109.db2.gz LLOJQZJEHVIWSD-LLVKDONJSA-N 0 0 451.955 4.622 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545722066 1066977281 /nfs/dbraw/zinc/97/72/81/1066977281.db2.gz MYKKALBIUVLURV-QHCPKHFHSA-N 0 0 476.625 4.718 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccco2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545722083 1066977308 /nfs/dbraw/zinc/97/73/08/1066977308.db2.gz NJJHVPQMNQAJJC-JOCHJYFZSA-N 0 0 465.598 4.916 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)cc1F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458106273 1066977443 /nfs/dbraw/zinc/97/74/43/1066977443.db2.gz QFCJRGCAEPSZRP-IVZQSRNASA-N 0 0 450.348 4.572 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545722184 1066977682 /nfs/dbraw/zinc/97/76/82/1066977682.db2.gz PYOGAQVWBCRKCK-KJXAQDMKSA-N 0 0 480.682 4.775 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCOc1ncccc1Cl)c1ccccc1 ZINC001545722363 1066977818 /nfs/dbraw/zinc/97/78/18/1066977818.db2.gz SPMFVSDTUFOBSY-NRFANRHFSA-N 0 0 494.043 4.934 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC001449030309 1066977817 /nfs/dbraw/zinc/97/78/17/1066977817.db2.gz QPJYEAXIYZUJMA-AEFFLSMTSA-N 0 0 456.414 4.772 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC001449030319 1066978275 /nfs/dbraw/zinc/97/82/75/1066978275.db2.gz QPJYEAXIYZUJMA-SJLPKXTDSA-N 0 0 456.414 4.772 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001449040353 1066978647 /nfs/dbraw/zinc/97/86/47/1066978647.db2.gz HKTPFBZFFDOQGI-LJQANCHMSA-N 0 0 452.429 4.660 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC001458111091 1066979042 /nfs/dbraw/zinc/97/90/42/1066979042.db2.gz NZGXOCUWWOCSGZ-OAQYLSRUSA-N 0 0 452.979 4.827 20 0 JJADRN O=C(c1ccc(I)cn1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001458110916 1066979063 /nfs/dbraw/zinc/97/90/63/1066979063.db2.gz MGBVTDFORCNDFZ-UHFFFAOYSA-N 0 0 458.752 4.737 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC001458112783 1066979302 /nfs/dbraw/zinc/97/93/02/1066979302.db2.gz ULAPMFHIRGVZFY-NHCUHLMSSA-N 0 0 451.611 4.809 20 0 JJADRN O=C(CCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)N1CCC(c2ccccc2)=N1 ZINC001458112375 1066979386 /nfs/dbraw/zinc/97/93/86/1066979386.db2.gz SZJNGHGKEIWJEX-UHFFFAOYSA-N 0 0 456.011 4.840 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)C(C)C ZINC001458112024 1066979483 /nfs/dbraw/zinc/97/94/83/1066979483.db2.gz MZTZKEHKUTXVLV-GOSISDBHSA-N 0 0 453.608 4.661 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545723963 1066979682 /nfs/dbraw/zinc/97/96/82/1066979682.db2.gz JLADZPUACNPZCH-AAOIWRJWSA-N 0 0 481.685 4.720 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1ccccc1 ZINC001458113289 1066979869 /nfs/dbraw/zinc/97/98/69/1066979869.db2.gz YBHYFOZDDQWUHP-QHCPKHFHSA-N 0 0 457.979 4.994 20 0 JJADRN CCn1c(CNC(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)nc2cc(Br)ccc21 ZINC001449051205 1066980024 /nfs/dbraw/zinc/98/00/24/1066980024.db2.gz UOBQOILPGAMDCA-WOVMCDHWSA-N 0 0 456.388 4.501 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CCCCC2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545724133 1066980450 /nfs/dbraw/zinc/98/04/50/1066980450.db2.gz MJUJPURDVUGNNS-DEOSSOPVSA-N 0 0 453.675 4.947 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H]2CCCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545724116 1066980475 /nfs/dbraw/zinc/98/04/75/1066980475.db2.gz MCZWJPOPGZQPDH-IAGOWNOFSA-N 0 0 457.363 4.813 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449074562 1066981119 /nfs/dbraw/zinc/98/11/19/1066981119.db2.gz MHKIKUCOXHFYNY-AZUAARDMSA-N 0 0 456.608 4.994 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545724596 1066981129 /nfs/dbraw/zinc/98/11/29/1066981129.db2.gz SVVFSRZOFKOBFB-DFBJGRDBSA-N 0 0 471.049 4.785 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545724655 1066981290 /nfs/dbraw/zinc/98/12/90/1066981290.db2.gz UYQXJNFDDYBPOG-NRFANRHFSA-N 0 0 468.602 4.701 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCc1nccs1)c1ccccc1 ZINC001545724936 1066981813 /nfs/dbraw/zinc/98/18/13/1066981813.db2.gz ZTLCTLHSJKPKRX-OAQYLSRUSA-N 0 0 469.655 4.745 20 0 JJADRN Cn1cc(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c2ccccc21 ZINC001449092870 1066981859 /nfs/dbraw/zinc/98/18/59/1066981859.db2.gz YDAWIHCCHPVMSP-INIZCTEOSA-N 0 0 454.596 4.588 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)c(Cl)cc3N)sc2C1 ZINC001449092930 1066981909 /nfs/dbraw/zinc/98/19/09/1066981909.db2.gz ZJUWRCPWPLMWFB-VIFPVBQESA-N 0 0 457.383 4.666 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)n2)cc1F ZINC001545725408 1066982046 /nfs/dbraw/zinc/98/20/46/1066982046.db2.gz SJXWZZCHDDVPLD-INIZCTEOSA-N 0 0 459.481 4.631 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001449103003 1066982518 /nfs/dbraw/zinc/98/25/18/1066982518.db2.gz ANJXIKWUCNTPHM-IBGZPJMESA-N 0 0 457.374 4.504 20 0 JJADRN CC[C@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726010 1066982918 /nfs/dbraw/zinc/98/29/18/1066982918.db2.gz HXHGPXQLCSTIQL-PKTZIBPZSA-N 0 0 488.698 4.573 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546097217 1066982983 /nfs/dbraw/zinc/98/29/83/1066982983.db2.gz FKPFVORTNFTXSU-AREMUKBSSA-N 0 0 483.682 4.880 20 0 JJADRN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458126039 1066983085 /nfs/dbraw/zinc/98/30/85/1066983085.db2.gz WEIJJQCTUBJHKN-KGLIPLIRSA-N 0 0 457.543 4.624 20 0 JJADRN CC(C)(C)c1ccc(C2CCC(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1 ZINC001449112644 1066983248 /nfs/dbraw/zinc/98/32/48/1066983248.db2.gz YQHONUPYIJZLTD-UHFFFAOYSA-N 0 0 454.636 4.881 20 0 JJADRN Cc1nnc([C@@H](C)NC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)[nH]1 ZINC001449111198 1066983258 /nfs/dbraw/zinc/98/32/58/1066983258.db2.gz WCFHCFHZUSISDF-CYBMUJFWSA-N 0 0 452.356 4.834 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCc2nccs2)n1Cc1nccn1C(F)F)c1ccccc1 ZINC001545726591 1066983283 /nfs/dbraw/zinc/98/32/83/1066983283.db2.gz SVODLEGPSRFETL-QGZVFWFLSA-N 0 0 457.554 4.595 20 0 JJADRN O=C(COc1cc(F)cc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001546011575 1066983296 /nfs/dbraw/zinc/98/32/96/1066983296.db2.gz LAPCBZBSIYRKIJ-RUZDIDTESA-N 0 0 456.920 4.931 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001458126685 1066983405 /nfs/dbraw/zinc/98/34/05/1066983405.db2.gz FHIXAFOPONFDKC-UHFFFAOYSA-N 0 0 457.452 4.685 20 0 JJADRN Cc1c(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cnn1-c1ccccc1F ZINC001458126972 1066983414 /nfs/dbraw/zinc/98/34/14/1066983414.db2.gz HUDQSOCLBHVZHX-GOSISDBHSA-N 0 0 456.493 4.706 20 0 JJADRN CNC(=O)c1cc(Br)ccc1NC(=O)COC(c1ccccc1)c1ccccc1 ZINC001458126752 1066983482 /nfs/dbraw/zinc/98/34/82/1066983482.db2.gz KNXVYKOGOFQZCS-UHFFFAOYSA-N 0 0 453.336 4.553 20 0 JJADRN O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001458126741 1066983534 /nfs/dbraw/zinc/98/35/34/1066983534.db2.gz WXIGWMBYXFRPEA-IBGZPJMESA-N 0 0 453.384 4.905 20 0 JJADRN CC[C@H](c1nnc(N(C)CCn2cccn2)n1Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC001545726492 1066983459 /nfs/dbraw/zinc/98/34/59/1066983459.db2.gz QYNOXELZCKQJBX-FQEVSTJZSA-N 0 0 469.515 4.615 20 0 JJADRN CNC(=O)c1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001458126656 1066983609 /nfs/dbraw/zinc/98/36/09/1066983609.db2.gz IZGMNTPAAFYHBD-UHFFFAOYSA-N 0 0 458.356 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)[C@H]3COC[C@H]3c3ccccc3)s2)CC1 ZINC001449119026 1066983643 /nfs/dbraw/zinc/98/36/43/1066983643.db2.gz NFMWONABSSFTRF-OALUTQOASA-N 0 0 457.596 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3c[nH]c4cc(=O)ccc-4c3)s2)CC1 ZINC001449117486 1066983732 /nfs/dbraw/zinc/98/37/32/1066983732.db2.gz JIXSJPGYTNNTAG-UHFFFAOYSA-N 0 0 454.552 4.764 20 0 JJADRN CC[C@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001545726707 1066983879 /nfs/dbraw/zinc/98/38/79/1066983879.db2.gz VXKQUCUGXFMZLX-UXHICEINSA-N 0 0 468.614 4.516 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC001458128497 1066983854 /nfs/dbraw/zinc/98/38/54/1066983854.db2.gz HDVWNBRTKKTFAB-ZDUSSCGKSA-N 0 0 453.536 4.734 20 0 JJADRN CNC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001458128779 1066983895 /nfs/dbraw/zinc/98/38/95/1066983895.db2.gz YMNFTFQPHGHTPP-NSHDSACASA-N 0 0 459.262 4.525 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(C(=O)c2cccnc2SCC2CCCCC2)CC1 ZINC001458127746 1066984005 /nfs/dbraw/zinc/98/40/05/1066984005.db2.gz CNIXFNHZTACXTF-UHFFFAOYSA-N 0 0 453.608 4.849 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726620 1066983959 /nfs/dbraw/zinc/98/39/59/1066983959.db2.gz UGYSZTITMQAGQZ-MPJDBJFZSA-N 0 0 483.701 4.569 20 0 JJADRN Cc1cc(C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc(NC2CC2)n1 ZINC001449121909 1066984089 /nfs/dbraw/zinc/98/40/89/1066984089.db2.gz UBVWXPTUKMCCNP-UHFFFAOYSA-N 0 0 457.600 4.788 20 0 JJADRN CC(C)(C)Oc1ccncc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001546011635 1066984126 /nfs/dbraw/zinc/98/41/26/1066984126.db2.gz NAKSZXXRMBQHMD-UHFFFAOYSA-N 0 0 459.955 4.965 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)c1 ZINC001449123782 1066984182 /nfs/dbraw/zinc/98/41/82/1066984182.db2.gz CAHQSLZPOUZYJS-HSZRJFAPSA-N 0 0 457.615 4.612 20 0 JJADRN O=C(Nc1ccc2c(cnn2C(F)F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001458129649 1066984313 /nfs/dbraw/zinc/98/43/13/1066984313.db2.gz RAWCQYGQVUFDJT-UHFFFAOYSA-N 0 0 451.470 4.686 20 0 JJADRN COCCN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)OC(C)(C)C ZINC001458129440 1066984344 /nfs/dbraw/zinc/98/43/44/1066984344.db2.gz BDRBLHPZYHSFRZ-UHFFFAOYSA-N 0 0 451.523 4.831 20 0 JJADRN CCc1c(C(=O)N2CCc3cc(Br)ccc32)nnn1-c1ccc(OC(C)C)cc1 ZINC001458133373 1066984678 /nfs/dbraw/zinc/98/46/78/1066984678.db2.gz ZEAUQVZOXVRXCU-UHFFFAOYSA-N 0 0 455.356 4.582 20 0 JJADRN COc1ccc(OC)c(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC001546011732 1066985074 /nfs/dbraw/zinc/98/50/74/1066985074.db2.gz QHPOQIDCDRHWBB-RUZDIDTESA-N 0 0 450.966 4.905 20 0 JJADRN O=C(Cc1ccccc1Cl)N1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 ZINC001458135016 1066985115 /nfs/dbraw/zinc/98/51/15/1066985115.db2.gz WXPFWAMWSWERBX-UHFFFAOYSA-N 0 0 452.691 4.952 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(N=S(C)(C)=O)cc2)c1Cl ZINC001458134978 1066985198 /nfs/dbraw/zinc/98/51/98/1066985198.db2.gz NWHWZCSDRMWWMR-UHFFFAOYSA-N 0 0 459.749 4.501 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545728256 1066985432 /nfs/dbraw/zinc/98/54/32/1066985432.db2.gz IQOUAIFBTGOFFZ-FSSWDIPSSA-N 0 0 469.699 4.989 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458136442 1066985579 /nfs/dbraw/zinc/98/55/79/1066985579.db2.gz SCYMUCRGZTUVHE-APWZRJJASA-N 0 0 451.445 4.539 20 0 JJADRN CC[C@H](c1nnc(N(CC)CC2CCC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545728252 1066985601 /nfs/dbraw/zinc/98/56/01/1066985601.db2.gz IMEGLAAGSQWRLE-QHCPKHFHSA-N 0 0 453.631 4.925 20 0 JJADRN CC[C@H](c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545728530 1066985864 /nfs/dbraw/zinc/98/58/64/1066985864.db2.gz MXTVFRYWPOWIKQ-GOTSBHOMSA-N 0 0 450.631 4.784 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cnn(C)c2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545728453 1066986011 /nfs/dbraw/zinc/98/60/11/1066986011.db2.gz LORGFDBNQBOKBG-XARGGIHNSA-N 0 0 450.631 4.784 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001458137926 1066985928 /nfs/dbraw/zinc/98/59/28/1066985928.db2.gz YGWZRUJGSFNNOJ-JOCHJYFZSA-N 0 0 451.910 4.964 20 0 JJADRN COc1ccc(CCCC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1OC ZINC001458138589 1066985954 /nfs/dbraw/zinc/98/59/54/1066985954.db2.gz ZYLWLMNKWIPXIE-HXUWFJFHSA-N 0 0 457.571 4.627 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cccc(C3OCCO3)c2)C1 ZINC001449158297 1066985978 /nfs/dbraw/zinc/98/59/78/1066985978.db2.gz WTYGKJPNOFSTSC-FQEVSTJZSA-N 0 0 459.384 4.510 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@H]1CCC[C@H]1C)c1ccccc1 ZINC001545728676 1066986310 /nfs/dbraw/zinc/98/63/10/1066986310.db2.gz PLKLEPKWXZBXHA-HYFWNAGYSA-N 0 0 481.685 4.624 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2c[nH]c3cc(=O)ccc-3c2)C1 ZINC001449158620 1066986307 /nfs/dbraw/zinc/98/63/07/1066986307.db2.gz XECFAJQVXSKJGF-LJQANCHMSA-N 0 0 454.368 4.719 20 0 JJADRN CCc1c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)nnn1-c1ccc(OC(C)C)cc1 ZINC001458140574 1066986392 /nfs/dbraw/zinc/98/63/92/1066986392.db2.gz KIBOPVSXGGOOQC-UHFFFAOYSA-N 0 0 458.566 4.980 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1cc(C)ccc1C ZINC001458142651 1066986669 /nfs/dbraw/zinc/98/66/69/1066986669.db2.gz NXHIBHYFKITCOF-GAJHUEQPSA-N 0 0 454.933 4.748 20 0 JJADRN CCCn1ncc(C(=O)OCC)c1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001458142639 1066986875 /nfs/dbraw/zinc/98/68/75/1066986875.db2.gz KRIOJJSZOFMUQD-UHFFFAOYSA-N 0 0 453.543 4.724 20 0 JJADRN CC[C@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545728946 1066986915 /nfs/dbraw/zinc/98/69/15/1066986915.db2.gz UKFDQRAENDSBAZ-SJORKVTESA-N 0 0 457.363 4.813 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1cccc(F)n1 ZINC001458143772 1066987080 /nfs/dbraw/zinc/98/70/80/1066987080.db2.gz QICURMWJKNLXLF-CYBMUJFWSA-N 0 0 454.552 4.536 20 0 JJADRN O=C(NCCNc1oc(-c2ccccc2)nc1C(F)(F)F)c1cccc(Br)c1 ZINC001458143032 1066987307 /nfs/dbraw/zinc/98/73/07/1066987307.db2.gz DCYMBKJXPTTZIV-UHFFFAOYSA-N 0 0 454.246 4.965 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)n1ccc(=NCC(F)(F)F)cc1 ZINC001458145230 1066987499 /nfs/dbraw/zinc/98/74/99/1066987499.db2.gz BQFCIKSIBGJJSO-UHFFFAOYSA-N 0 0 455.267 4.621 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545730495 1066987919 /nfs/dbraw/zinc/98/79/19/1066987919.db2.gz ASNKQOMGYBLPAL-GMAHTHKFSA-N 0 0 467.658 4.616 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545730481 1066987979 /nfs/dbraw/zinc/98/79/79/1066987979.db2.gz APQQUSNTZBCESE-RZUBCFFCSA-N 0 0 471.646 4.691 20 0 JJADRN O=C(Nc1cccc(F)c1)C1CCN(c2ncncc2-c2ccc(Br)cc2)CC1 ZINC001458147972 1066988311 /nfs/dbraw/zinc/98/83/11/1066988311.db2.gz PZFHBAVSOIYKBT-UHFFFAOYSA-N 0 0 455.331 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001449180621 1066988274 /nfs/dbraw/zinc/98/82/74/1066988274.db2.gz WHJVJSCRYJZALB-HOYKHHGWSA-N 0 0 450.023 4.852 20 0 JJADRN CC[C@H](c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545730587 1066988443 /nfs/dbraw/zinc/98/84/43/1066988443.db2.gz CACAPSLVCOPFLU-UPVQGACJSA-N 0 0 470.658 4.800 20 0 JJADRN CC[C@H](c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545730577 1066988486 /nfs/dbraw/zinc/98/84/86/1066988486.db2.gz BVMUVXIXLPLUAR-CUNXSJBXSA-N 0 0 470.658 4.657 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)S(=O)(=O)C1CCCCC1 ZINC001458150311 1066988623 /nfs/dbraw/zinc/98/86/23/1066988623.db2.gz XNGRVNMGUBWSAR-IBGZPJMESA-N 0 0 457.518 4.602 20 0 JJADRN CC[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546012038 1066988803 /nfs/dbraw/zinc/98/88/03/1066988803.db2.gz ARNDUYGZLRSYFN-VDVULAQNSA-N 0 0 473.593 4.534 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)cnn1-c1cc(C)ccc1C ZINC001449196962 1066988922 /nfs/dbraw/zinc/98/89/22/1066988922.db2.gz RLUCHHGPESUBGP-QFIPXVFZSA-N 0 0 452.599 4.661 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203719 1066989408 /nfs/dbraw/zinc/98/94/08/1066989408.db2.gz MKXDREOJHJYXAC-KOSHJBKYSA-N 0 0 452.551 4.779 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731052 1066989654 /nfs/dbraw/zinc/98/96/54/1066989654.db2.gz JHTDMKUKYZGJAG-JVODISISSA-N 0 0 497.684 4.985 20 0 JJADRN O=C(NCCCNc1nc2cc(Br)ccc2o1)c1cccc(Br)c1 ZINC001458153549 1066989647 /nfs/dbraw/zinc/98/96/47/1066989647.db2.gz GQSQYFRBGYWXTL-UHFFFAOYSA-N 0 0 453.134 4.585 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153640 1066989679 /nfs/dbraw/zinc/98/96/79/1066989679.db2.gz KCAUBXKQVHGFPI-LVXARBLLSA-N 0 0 458.606 4.737 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731169 1066990275 /nfs/dbraw/zinc/99/02/75/1066990275.db2.gz KYIFGUJEVKVSPO-LEWJYISDSA-N 0 0 470.017 4.809 20 0 JJADRN C[S@](=O)Cc1ccc(CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 ZINC001449218939 1066990425 /nfs/dbraw/zinc/99/04/25/1066990425.db2.gz URKSMYDLDBOOTE-HKBQPEDESA-N 0 0 454.617 4.518 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC001545731287 1066990552 /nfs/dbraw/zinc/99/05/52/1066990552.db2.gz MISHDJMRBZXXCR-PQNGQFLHSA-N 0 0 462.642 4.723 20 0 JJADRN COC(=O)C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001458155481 1066990647 /nfs/dbraw/zinc/99/06/47/1066990647.db2.gz PICZJNKNVJOJPC-HNNXBMFYSA-N 0 0 450.366 4.616 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)C1(c2ccccc2Br)CC1 ZINC001458155230 1066990806 /nfs/dbraw/zinc/99/08/06/1066990806.db2.gz QAXQEHZSBSBTJY-UHFFFAOYSA-N 0 0 453.174 4.910 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545731442 1066991074 /nfs/dbraw/zinc/99/10/74/1066991074.db2.gz OLJKDFNJHLWGQM-HMHJJOSWSA-N 0 0 454.640 4.793 20 0 JJADRN O=C(NCc1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001449227644 1066991272 /nfs/dbraw/zinc/99/12/72/1066991272.db2.gz NGOVGMQWJPHUCG-UHFFFAOYSA-N 0 0 453.498 4.549 20 0 JJADRN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001449230319 1066991306 /nfs/dbraw/zinc/99/13/06/1066991306.db2.gz OTQVSNYUAGGQFX-UHFFFAOYSA-N 0 0 451.832 4.682 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001458155993 1066991402 /nfs/dbraw/zinc/99/14/02/1066991402.db2.gz FCNOMOKOYTWBOT-GOSISDBHSA-N 0 0 453.283 4.857 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155856 1066991412 /nfs/dbraw/zinc/99/14/12/1066991412.db2.gz SNRPEUAUWXIQAA-KSFYIVLOSA-N 0 0 450.410 4.835 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1C[C@@H](C)c1nc(C)cs1)c1ccccc1 ZINC001545731800 1066991731 /nfs/dbraw/zinc/99/17/31/1066991731.db2.gz SMUZCUYDGDWVEK-QTPAZIJBSA-N 0 0 469.655 4.629 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC[C@H]1C)NC(=O)OC(C)(C)C ZINC001546012286 1066991666 /nfs/dbraw/zinc/99/16/66/1066991666.db2.gz FYRZABUILWLGMN-UXHICEINSA-N 0 0 489.686 4.719 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)NC(C)(C)COc3ncccc3Br)cc2)c1 ZINC001458156764 1066991800 /nfs/dbraw/zinc/99/18/00/1066991800.db2.gz HHKYYUBZLOYXOB-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)c2ccccc2OC)cc1 ZINC001458157357 1066991865 /nfs/dbraw/zinc/99/18/65/1066991865.db2.gz WTWGLECQMRWPPK-DEOSSOPVSA-N 0 0 455.938 4.823 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546097582 1066992363 /nfs/dbraw/zinc/99/23/63/1066992363.db2.gz MUADWNPHVKICJI-SXOMAYOGSA-N 0 0 454.659 4.790 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cc(F)c(F)cc1Br)c1ccccc1 ZINC001458159534 1066992787 /nfs/dbraw/zinc/99/27/87/1066992787.db2.gz SZXFPIYXELDCIE-CYBMUJFWSA-N 0 0 455.299 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C2 ZINC001449245375 1066992719 /nfs/dbraw/zinc/99/27/19/1066992719.db2.gz TXQDOLXOENHQAY-LYNDWLEASA-N 0 0 457.398 4.713 20 0 JJADRN O=C(CCC(=O)c1ccc(Cl)cn1)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001449255823 1066993034 /nfs/dbraw/zinc/99/30/34/1066993034.db2.gz ZVZCDEWBHGUYSY-UHFFFAOYSA-N 0 0 456.833 4.754 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449261752 1066993134 /nfs/dbraw/zinc/99/31/34/1066993134.db2.gz QGQAZHKNSHKTPL-UTKZUKDTSA-N 0 0 459.775 4.524 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)c3cc(Cl)ccc3I)CC2)c1 ZINC001458160063 1066992987 /nfs/dbraw/zinc/99/29/87/1066992987.db2.gz CDDCSFXPYUAGKH-UHFFFAOYSA-N 0 0 454.739 4.524 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(Nc3nc(-c4cc(F)cc(F)c4)ns3)cn2)cc1 ZINC001458162789 1066993479 /nfs/dbraw/zinc/99/34/79/1066993479.db2.gz CKVVNYBVBRWDTH-UHFFFAOYSA-N 0 0 458.519 4.784 20 0 JJADRN Cc1cc(CCC(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001545732360 1066993633 /nfs/dbraw/zinc/99/36/33/1066993633.db2.gz BNQHKKROIHOBQA-AEFFLSMTSA-N 0 0 453.421 4.842 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545732194 1066993671 /nfs/dbraw/zinc/99/36/71/1066993671.db2.gz YYVJJMYVOQNVHY-GDIGMMSISA-N 0 0 465.545 4.789 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545732196 1066993693 /nfs/dbraw/zinc/99/36/93/1066993693.db2.gz YYVJJMYVOQNVHY-NIKGAXFTSA-N 0 0 465.545 4.789 20 0 JJADRN CC[C@H](c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CC1(SC)CCOCC1)c1ccccc1 ZINC001545732271 1066993807 /nfs/dbraw/zinc/99/38/07/1066993807.db2.gz ZSVJCJFWHLFSIR-SFTDATJTSA-N 0 0 458.672 4.593 20 0 JJADRN Cc1nc2c(s1)[C@@H](N(C)c1cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c1Cl)CCC2 ZINC001458166744 1066993901 /nfs/dbraw/zinc/99/39/01/1066993901.db2.gz MSKJMEPATUAZBF-ZDUSSCGKSA-N 0 0 455.893 4.578 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)CC2)c1 ZINC001458167151 1066994328 /nfs/dbraw/zinc/99/43/28/1066994328.db2.gz VDPXBJLDUPHLDM-MRXNPFEDSA-N 0 0 451.792 4.835 20 0 JJADRN C/C(=C/C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1cnccn1 ZINC001458167866 1066994352 /nfs/dbraw/zinc/99/43/52/1066994352.db2.gz QISVSZCLBVVNQJ-YWEYNIOJSA-N 0 0 459.247 4.789 20 0 JJADRN Cc1ccc(OC(F)F)c(CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1 ZINC001545732948 1066994579 /nfs/dbraw/zinc/99/45/79/1066994579.db2.gz QDRPVTIOIGTZOH-UHFFFAOYSA-N 0 0 458.534 4.548 20 0 JJADRN O=C(/C=C\COc1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458169455 1066994725 /nfs/dbraw/zinc/99/47/25/1066994725.db2.gz BFIWXMJHQXDRNY-YVLHZVERSA-N 0 0 456.586 4.572 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCSC1)c1ccccc1 ZINC001545733453 1066994906 /nfs/dbraw/zinc/99/49/06/1066994906.db2.gz BRNBJNXRBBUNHY-VQIMIIECSA-N 0 0 466.573 4.921 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC001545733533 1066995157 /nfs/dbraw/zinc/99/51/57/1066995157.db2.gz CUODCISOVJOZDU-HXUWFJFHSA-N 0 0 487.526 4.672 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc1)c1ccccc1 ZINC001458170653 1066995246 /nfs/dbraw/zinc/99/52/46/1066995246.db2.gz BZQDFRYEVXKWSO-UHFFFAOYSA-N 0 0 456.464 4.972 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545733568 1066995259 /nfs/dbraw/zinc/99/52/59/1066995259.db2.gz DOOHKZCUCDOLAE-DEOSSOPVSA-N 0 0 481.685 4.600 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545733546 1066995276 /nfs/dbraw/zinc/99/52/76/1066995276.db2.gz DDGPFCXAYRXPMW-OFNKIYASSA-N 0 0 477.531 4.694 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ncc(-c2cccnc2)s1 ZINC001449281723 1066995503 /nfs/dbraw/zinc/99/55/03/1066995503.db2.gz KEMKIYGFHRIAOP-SFHVURJKSA-N 0 0 450.467 4.594 20 0 JJADRN O=C(Oc1cccc(F)c1I)c1cc(F)c(Br)cc1F ZINC001458172047 1066995450 /nfs/dbraw/zinc/99/54/50/1066995450.db2.gz BKSXSPYKJURYIU-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN CCC(=O)c1ccc(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001458172068 1066995573 /nfs/dbraw/zinc/99/55/73/1066995573.db2.gz KAAGZZKRJMQNEP-UHFFFAOYSA-N 0 0 456.586 4.843 20 0 JJADRN CC[C@@H](C)[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001545733652 1066995741 /nfs/dbraw/zinc/99/57/41/1066995741.db2.gz FUJJPEYXWRARHL-FZWQGKLBSA-N 0 0 495.712 4.846 20 0 JJADRN O=C(Oc1cccc(F)c1I)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001458172984 1066995828 /nfs/dbraw/zinc/99/58/28/1066995828.db2.gz DQKNSUVBLBJHPF-MEBBXXQBSA-N 0 0 466.168 4.518 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545733824 1066995842 /nfs/dbraw/zinc/99/58/42/1066995842.db2.gz IQSPPZRQSVAFDY-FCHUYYIVSA-N 0 0 460.688 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545733836 1066995933 /nfs/dbraw/zinc/99/59/33/1066995933.db2.gz JAOPBZTVAQINKM-CZTZKLFOSA-N 0 0 452.624 4.760 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545733763 1066995958 /nfs/dbraw/zinc/99/59/58/1066995958.db2.gz HMSRWIUATAAIBB-SANMLTNESA-N 0 0 488.680 4.849 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545733765 1066996000 /nfs/dbraw/zinc/99/60/00/1066996000.db2.gz HNKLYUMRMLRWJR-OAQYLSRUSA-N 0 0 494.709 4.779 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N2CCOc3ccc(C)cc3C2)s1 ZINC001449299576 1066996247 /nfs/dbraw/zinc/99/62/47/1066996247.db2.gz NVMRVYCRKRSZLO-UHFFFAOYSA-N 0 0 459.365 4.924 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545733891 1066996334 /nfs/dbraw/zinc/99/63/34/1066996334.db2.gz JYQLELCSHQLMJE-WMZOPIPTSA-N 0 0 478.540 4.948 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC001546012878 1066996274 /nfs/dbraw/zinc/99/62/74/1066996274.db2.gz QDHUMLBZSSQGGT-LJQANCHMSA-N 0 0 457.619 4.848 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545734018 1066996620 /nfs/dbraw/zinc/99/66/20/1066996620.db2.gz MCSSFUYMJUPVRW-OFNKIYASSA-N 0 0 480.575 4.655 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)s1 ZINC001449304428 1066996630 /nfs/dbraw/zinc/99/66/30/1066996630.db2.gz VBFNWIWXBPMQMM-OAQYLSRUSA-N 0 0 450.555 4.544 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545734288 1066997066 /nfs/dbraw/zinc/99/70/66/1066997066.db2.gz PYBCWJWNCMZZDQ-JOCHJYFZSA-N 0 0 499.656 4.514 20 0 JJADRN CS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccccc1CCC(F)(F)F ZINC001458176020 1066997124 /nfs/dbraw/zinc/99/71/24/1066997124.db2.gz VPPYGTVECKZPDP-UHFFFAOYSA-N 0 0 450.276 4.600 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545734453 1066997562 /nfs/dbraw/zinc/99/75/62/1066997562.db2.gz SSNHCEWBTFXQJB-CVDCTZTESA-N 0 0 466.548 4.575 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001546013032 1066997612 /nfs/dbraw/zinc/99/76/12/1066997612.db2.gz SQWXFFPXUMZYKM-LJQANCHMSA-N 0 0 473.593 4.680 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(C)C)CC2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545734466 1066997689 /nfs/dbraw/zinc/99/76/89/1066997689.db2.gz SUFSZUNKFFFAHD-DHLKQENFSA-N 0 0 451.659 4.951 20 0 JJADRN CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(C)C)C2=O ZINC001458178224 1066997964 /nfs/dbraw/zinc/99/79/64/1066997964.db2.gz YWNDGNPSNKYGTE-WDALLZDZSA-N 0 0 454.489 4.837 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N(CC1CCCCC1)c1ccccn1 ZINC001458178990 1066998173 /nfs/dbraw/zinc/99/81/73/1066998173.db2.gz BPBUHSWEGJKMRX-GOSISDBHSA-N 0 0 456.384 4.811 20 0 JJADRN COc1cc(F)c([C@H](C)Nc2ncnc3cc(I)sc32)cc1OC ZINC001458178460 1066998247 /nfs/dbraw/zinc/99/82/47/1066998247.db2.gz DJLTXOACFOONCI-QMMMGPOBSA-N 0 0 459.284 4.625 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(COC3CCOCC3)cc2)cnn1-c1ccc(F)cc1 ZINC001458179160 1066998326 /nfs/dbraw/zinc/99/83/26/1066998326.db2.gz CSVHSMZVJPVFQI-UHFFFAOYSA-N 0 0 451.542 4.590 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N(Cc1ccccc1F)C1CCC1 ZINC001545735207 1066998329 /nfs/dbraw/zinc/99/83/29/1066998329.db2.gz RHCAKUAOZYQIJJ-UHFFFAOYSA-N 0 0 456.514 4.961 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC001458179953 1066998573 /nfs/dbraw/zinc/99/85/73/1066998573.db2.gz AMYBHCYCMMYHKM-GFCCVEGCSA-N 0 0 451.415 4.618 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccccc2F)CCO1 ZINC001546097824 1066998644 /nfs/dbraw/zinc/99/86/44/1066998644.db2.gz QGJCMOYWGYZNRA-XMMPIXPASA-N 0 0 457.619 4.756 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccccc2F)CCO1 ZINC001546097823 1066998698 /nfs/dbraw/zinc/99/86/98/1066998698.db2.gz QGJCMOYWGYZNRA-DEOSSOPVSA-N 0 0 457.619 4.756 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735785 1066998852 /nfs/dbraw/zinc/99/88/52/1066998852.db2.gz GSWSETIKHBYURC-YIXXDRMTSA-N 0 0 453.675 4.947 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H]2CC)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545735832 1066999321 /nfs/dbraw/zinc/99/93/21/1066999321.db2.gz HKPHEHODXXUWTK-PMOQBDJRSA-N 0 0 453.631 4.923 20 0 JJADRN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC001458184175 1066999289 /nfs/dbraw/zinc/99/92/89/1066999289.db2.gz SUDCQTFLGHNXAH-LJQANCHMSA-N 0 0 457.372 4.700 20 0 JJADRN Cc1cccc(C)c1CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC001458183753 1066999388 /nfs/dbraw/zinc/99/93/88/1066999388.db2.gz GRHPNXXCGQZIJR-GOSISDBHSA-N 0 0 452.551 4.512 20 0 JJADRN CC(C)(C(=O)N1CCO[C@@]2(CCCOC2)C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001449327845 1067000056 /nfs/dbraw/zinc/00/00/56/1067000056.db2.gz PDJKVDBEOUOKOE-NRFANRHFSA-N 0 0 455.407 4.803 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)(C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545736365 1067000050 /nfs/dbraw/zinc/00/00/50/1067000050.db2.gz PKOLBIWRXODESG-SFTDATJTSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545736252 1067000196 /nfs/dbraw/zinc/00/01/96/1067000196.db2.gz NKMIVAPKZPPQQV-BINBFKAUSA-N 0 0 454.640 4.650 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2C[C@@H](OC)C2(CC)CC)cc1 ZINC001458186763 1067000223 /nfs/dbraw/zinc/00/02/23/1067000223.db2.gz BKTRJEQFFNXEGV-XZOQPEGZSA-N 0 0 458.624 4.568 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545736253 1067000235 /nfs/dbraw/zinc/00/02/35/1067000235.db2.gz NKMIVAPKZPPQQV-FXWJEBAPSA-N 0 0 454.640 4.650 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCC[C@H](NC(=O)CCCc4ccccc4)C3)cc2)c1 ZINC001449330335 1067000383 /nfs/dbraw/zinc/00/03/83/1067000383.db2.gz RYTNUCYBSMDUKB-DEOSSOPVSA-N 0 0 457.574 4.926 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545736680 1067000611 /nfs/dbraw/zinc/00/06/11/1067000611.db2.gz UHXNUTGDRLOQQT-IATMXGELSA-N 0 0 465.667 4.723 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc4oc(C(F)(F)F)nc43)o2)cc1 ZINC001458187536 1067000543 /nfs/dbraw/zinc/00/05/43/1067000543.db2.gz LRKXQVBXMJARMI-UHFFFAOYSA-N 0 0 450.398 4.636 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Br)c1cccnc1-n1cc(Br)cn1 ZINC001458189829 1067000701 /nfs/dbraw/zinc/00/07/01/1067000701.db2.gz ZOLTXNKECXXUOH-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545736730 1067000846 /nfs/dbraw/zinc/00/08/46/1067000846.db2.gz UXGDXWGJCUDZRR-MIKNWGHHSA-N 0 0 496.521 4.910 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1)c1ccc(Br)cc1 ZINC001449336249 1067001217 /nfs/dbraw/zinc/00/12/17/1067001217.db2.gz NLNWDFNYXIPIHR-FQEVSTJZSA-N 0 0 453.340 4.792 20 0 JJADRN CCN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)[C@@H](C)C1 ZINC001449337109 1067001582 /nfs/dbraw/zinc/00/15/82/1067001582.db2.gz QRICMWXWKSPZSC-ZDUSSCGKSA-N 0 0 451.423 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)C(C)(C)C1 ZINC001449349248 1067002133 /nfs/dbraw/zinc/00/21/33/1067002133.db2.gz SHYHEMGZZXRWSE-WOJBJXKFSA-N 0 0 451.007 4.817 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001546013321 1067002153 /nfs/dbraw/zinc/00/21/53/1067002153.db2.gz ZCHBWKVBTRHMQU-KRWDZBQOSA-N 0 0 462.381 4.547 20 0 JJADRN CC(C)[C@H]1CCc2ccccc2N1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001458200600 1067002170 /nfs/dbraw/zinc/00/21/70/1067002170.db2.gz GKXHYRDQMGLYFA-GOSISDBHSA-N 0 0 457.368 4.569 20 0 JJADRN O=C(Nc1nc2ccc(Cl)cn2n1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001458199063 1067002175 /nfs/dbraw/zinc/00/21/75/1067002175.db2.gz GDLWALWQYYIHFR-GOSISDBHSA-N 0 0 457.715 4.904 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545738273 1067002180 /nfs/dbraw/zinc/00/21/80/1067002180.db2.gz FKVDXFHANQADAX-FQEVSTJZSA-N 0 0 495.590 4.530 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1)c1ccccc1 ZINC001545738229 1067002241 /nfs/dbraw/zinc/00/22/41/1067002241.db2.gz DQUVDEHEMUAILL-HSZRJFAPSA-N 0 0 497.684 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC001449352917 1067002393 /nfs/dbraw/zinc/00/23/93/1067002393.db2.gz GJKPBSIUQQECNZ-UHFFFAOYSA-N 0 0 456.514 4.933 20 0 JJADRN O=C(c1c[nH]c2ncc(Br)cc12)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449354322 1067002407 /nfs/dbraw/zinc/00/24/07/1067002407.db2.gz DVBIBRXWBBRZTJ-NRFANRHFSA-N 0 0 450.336 4.701 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545738358 1067002521 /nfs/dbraw/zinc/00/25/21/1067002521.db2.gz GXQTZMIEEXVXTN-QFIPXVFZSA-N 0 0 485.673 4.986 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545738357 1067002584 /nfs/dbraw/zinc/00/25/84/1067002584.db2.gz GXQTZMIEEXVXTN-JOCHJYFZSA-N 0 0 485.673 4.986 20 0 JJADRN CSc1nc2ncnc(N[C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)c2s1 ZINC001458205552 1067002691 /nfs/dbraw/zinc/00/26/91/1067002691.db2.gz UKQCOSVXWQTWQE-ZDUSSCGKSA-N 0 0 453.515 4.603 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001546097989 1067002808 /nfs/dbraw/zinc/00/28/08/1067002808.db2.gz USVMHBUZYDISBF-QPPBQGQZSA-N 0 0 474.074 4.892 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001546097992 1067002905 /nfs/dbraw/zinc/00/29/05/1067002905.db2.gz USVMHBUZYDISBF-ZJSXRUAMSA-N 0 0 474.074 4.892 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncnc2cc(Br)sc21 ZINC001458206087 1067002951 /nfs/dbraw/zinc/00/29/51/1067002951.db2.gz RFEXNNXOLCVPMA-ZYHUDNBSSA-N 0 0 457.394 4.626 20 0 JJADRN C[C@@H]1CN(c2ccnc(CSc3ccccc3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001458209425 1067003481 /nfs/dbraw/zinc/00/34/81/1067003481.db2.gz AZBFYRGEYPMFLT-GOSISDBHSA-N 0 0 453.011 4.702 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1Cl ZINC001458210587 1067003570 /nfs/dbraw/zinc/00/35/70/1067003570.db2.gz BSTAEGCJADPMEN-KVSKMBFKSA-N 0 0 451.995 4.535 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738794 1067003600 /nfs/dbraw/zinc/00/36/00/1067003600.db2.gz ONUIPBTWTCITAU-DNQXCXABSA-N 0 0 464.658 4.994 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1C[C@](C)(O)C(C)C)c1ccccc1 ZINC001545738839 1067003609 /nfs/dbraw/zinc/00/36/09/1067003609.db2.gz PEXKYHCIXCLKJQ-IGKIAQTJSA-N 0 0 464.658 4.827 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738793 1067003682 /nfs/dbraw/zinc/00/36/82/1067003682.db2.gz ONUIPBTWTCITAU-BJKOFHAPSA-N 0 0 464.658 4.994 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738796 1067003690 /nfs/dbraw/zinc/00/36/90/1067003690.db2.gz ONUIPBTWTCITAU-ZEQRLZLVSA-N 0 0 464.658 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)C1 ZINC001449361243 1067003748 /nfs/dbraw/zinc/00/37/48/1067003748.db2.gz XUFFGOBYAJKXHR-KCWPFWIISA-N 0 0 452.595 4.786 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC001449360431 1067003762 /nfs/dbraw/zinc/00/37/62/1067003762.db2.gz WBLRWBDSOIKVIT-GAPYMZEXSA-N 0 0 463.409 4.603 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)c(=O)oc2c1 ZINC001458212156 1067003858 /nfs/dbraw/zinc/00/38/58/1067003858.db2.gz WWMVJXWJJHYMOJ-IBGZPJMESA-N 0 0 454.395 4.951 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC001449360433 1067003842 /nfs/dbraw/zinc/00/38/42/1067003842.db2.gz WBLRWBDSOIKVIT-KMSFFSJKSA-N 0 0 463.409 4.603 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001449361358 1067004169 /nfs/dbraw/zinc/00/41/69/1067004169.db2.gz YKGODTFJCWLNRA-JWQCQUIFSA-N 0 0 450.966 4.670 20 0 JJADRN COc1cc(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc(OC)c1Br ZINC001458212511 1067004113 /nfs/dbraw/zinc/00/41/13/1067004113.db2.gz CIULXOLWNRHETM-UHFFFAOYSA-N 0 0 456.340 4.857 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC1(OC)CCCCC1)c1ccccc1 ZINC001545739034 1067004363 /nfs/dbraw/zinc/00/43/63/1067004363.db2.gz RUFDIYVFSMRAKU-QHCPKHFHSA-N 0 0 467.658 4.651 20 0 JJADRN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1Br ZINC001458213527 1067004472 /nfs/dbraw/zinc/00/44/72/1067004472.db2.gz MPEFKHSKKUXNNS-WDYCEAGBSA-N 0 0 451.405 4.831 20 0 JJADRN Cc1cnn(-c2ccncc2NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 ZINC001458213690 1067004508 /nfs/dbraw/zinc/00/45/08/1067004508.db2.gz GFGGZHQJFWNAHU-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC001458213877 1067004546 /nfs/dbraw/zinc/00/45/46/1067004546.db2.gz MIVHXZHNKXIBIT-LZWOXQAQSA-N 0 0 450.295 4.928 20 0 JJADRN CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)s2)CC1 ZINC001449365068 1067004577 /nfs/dbraw/zinc/00/45/77/1067004577.db2.gz CLYOQJCXJKZFSO-SFHVURJKSA-N 0 0 451.558 4.534 20 0 JJADRN CCOC(=O)c1cnc(N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001458215754 1067004792 /nfs/dbraw/zinc/00/47/92/1067004792.db2.gz VNSZWNWLNKYQFU-SFHVURJKSA-N 0 0 450.969 4.578 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458214917 1067004864 /nfs/dbraw/zinc/00/48/64/1067004864.db2.gz JVJPDRBRKMTDEB-UHFFFAOYSA-N 0 0 459.281 4.888 20 0 JJADRN CCOCCO[C@H]1CCN(C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)C1 ZINC001458214814 1067004961 /nfs/dbraw/zinc/00/49/61/1067004961.db2.gz JFQWFPWRZRNVIL-KRWDZBQOSA-N 0 0 457.621 4.727 20 0 JJADRN COc1c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc(Cl)cc1C(N)=O ZINC001449366928 1067004871 /nfs/dbraw/zinc/00/48/71/1067004871.db2.gz FDTSTQJKBCFTLN-UHFFFAOYSA-N 0 0 455.845 4.842 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001449371624 1067005177 /nfs/dbraw/zinc/00/51/77/1067005177.db2.gz NGQDSVJPIABKIK-MJGOQNOKSA-N 0 0 458.521 4.730 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739396 1067005198 /nfs/dbraw/zinc/00/51/98/1067005198.db2.gz ZHASCVZCJAQQAA-UXHICEINSA-N 0 0 492.546 4.863 20 0 JJADRN CC[C@H](c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545740590 1067005357 /nfs/dbraw/zinc/00/53/57/1067005357.db2.gz AJFHULIQYLFWBP-QHCPKHFHSA-N 0 0 489.730 4.897 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001458217412 1067005520 /nfs/dbraw/zinc/00/55/20/1067005520.db2.gz YVCIAEHEZDARAV-PWIZWCRZSA-N 0 0 459.587 4.644 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C[C@@H]21 ZINC001458217409 1067005564 /nfs/dbraw/zinc/00/55/64/1067005564.db2.gz YVCIAEHEZDARAV-FFZOFVMBSA-N 0 0 459.587 4.644 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2CCc2sccc2C)CCO1 ZINC001546098138 1067005608 /nfs/dbraw/zinc/00/56/08/1067005608.db2.gz XVWIHLFJIKCDST-VWLOTQADSA-N 0 0 454.640 4.690 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2CCOc2ccc(F)c(Cl)c2)CCO1 ZINC001546098115 1067005633 /nfs/dbraw/zinc/00/56/33/1067005633.db2.gz XKEBONDMVYYAGG-JOCHJYFZSA-N 0 0 464.994 4.807 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001449384421 1067005714 /nfs/dbraw/zinc/00/57/14/1067005714.db2.gz CBFAWOIDCJXZHM-OAHLLOKOSA-N 0 0 456.530 4.804 20 0 JJADRN CC[C@H](c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC1=CCCCC1)c1ccccc1 ZINC001545740697 1067005748 /nfs/dbraw/zinc/00/57/48/1067005748.db2.gz CAHJFFLSSUJNPR-DEOSSOPVSA-N 0 0 485.698 4.571 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCN1C(=O)OC(C)(C)C ZINC001449392212 1067006054 /nfs/dbraw/zinc/00/60/54/1067006054.db2.gz NEXSHECNOSZIIB-HUUCEWRRSA-N 0 0 455.571 4.838 20 0 JJADRN CN(C(=O)c1c(Cl)nc2cc(Cl)ccn21)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001546013835 1067006079 /nfs/dbraw/zinc/00/60/79/1067006079.db2.gz QYUHVXOBRYOBBT-YIONKMFJSA-N 0 0 453.370 4.644 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC001545740832 1067006214 /nfs/dbraw/zinc/00/62/14/1067006214.db2.gz DZFNRMDUYVGCDV-XZOQPEGZSA-N 0 0 483.657 4.883 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)c2ccc(Cl)cc2)CCO1 ZINC001546098167 1067006455 /nfs/dbraw/zinc/00/64/55/1067006455.db2.gz YNLJTINGRXPZEQ-NFBKMPQASA-N 0 0 461.031 4.977 20 0 JJADRN CC[C@H](Nc1nc2c(s1)c(OC)ccc2OC)c1ccccc1OCC(=O)N1CCCC1 ZINC001458220872 1067006529 /nfs/dbraw/zinc/00/65/29/1067006529.db2.gz MFYJPOJOPKHAMS-KRWDZBQOSA-N 0 0 455.580 4.878 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001449402931 1067006671 /nfs/dbraw/zinc/00/66/71/1067006671.db2.gz CAGLTSUPPBVDPS-LJQANCHMSA-N 0 0 456.558 4.631 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc21 ZINC001458221750 1067006881 /nfs/dbraw/zinc/00/68/81/1067006881.db2.gz WTQCRBRXEFEWII-SFHVURJKSA-N 0 0 450.535 4.849 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC001458222823 1067006912 /nfs/dbraw/zinc/00/69/12/1067006912.db2.gz LMZJDDKBTHSCPC-GOSISDBHSA-N 0 0 458.360 4.553 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCCCCc2ccc(Cl)s2)cc1OC ZINC001449404318 1067007013 /nfs/dbraw/zinc/00/70/13/1067007013.db2.gz LYJHQBXYYSUMEQ-UKRRQHHQSA-N 0 0 450.988 4.766 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CCCCS1)c1ccccc1 ZINC001545741096 1067007116 /nfs/dbraw/zinc/00/71/16/1067007116.db2.gz JUPGPOOOWQVSLY-XZOQPEGZSA-N 0 0 469.699 4.847 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC001458225785 1067007146 /nfs/dbraw/zinc/00/71/46/1067007146.db2.gz QSEYQMVZGFBTJJ-AEFFLSMTSA-N 0 0 454.368 4.847 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2Cc2c(C)sc(C)c2Br)CCO1 ZINC001546098238 1067007426 /nfs/dbraw/zinc/00/74/26/1067007426.db2.gz ZVKRMLUZDQRADS-QFIPXVFZSA-N 0 0 490.471 4.758 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001458226633 1067007478 /nfs/dbraw/zinc/00/74/78/1067007478.db2.gz BLHAJXYDXKFXDT-QGZVFWFLSA-N 0 0 454.939 4.616 20 0 JJADRN CCC[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC001449404666 1067007415 /nfs/dbraw/zinc/00/74/15/1067007415.db2.gz NIPGLKFZNYDURQ-PXDATVDWSA-N 0 0 453.970 4.765 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545741346 1067007444 /nfs/dbraw/zinc/00/74/44/1067007444.db2.gz OSTMSMQHKFQWIY-TZIWHRDSSA-N 0 0 489.542 4.677 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458228561 1067007860 /nfs/dbraw/zinc/00/78/60/1067007860.db2.gz FQMQLBINBMNJBG-UHFFFAOYSA-N 0 0 455.780 4.904 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc4cccc(Cl)c4n3)CC2=O)ccc1Br ZINC001458230727 1067008082 /nfs/dbraw/zinc/00/80/82/1067008082.db2.gz LUERLYTXJWZLLU-CQSZACIVSA-N 0 0 458.743 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC001458230667 1067008127 /nfs/dbraw/zinc/00/81/27/1067008127.db2.gz MKYUTUMNZVBTBI-QFIPXVFZSA-N 0 0 453.421 4.880 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC001449408817 1067008065 /nfs/dbraw/zinc/00/80/65/1067008065.db2.gz OFNBBCNDIFEFER-UHFFFAOYSA-N 0 0 453.514 4.690 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1nccs1)c1ccccc1 ZINC001545741508 1067008152 /nfs/dbraw/zinc/00/81/52/1067008152.db2.gz RLANEYBNABGASZ-HXUWFJFHSA-N 0 0 482.654 4.818 20 0 JJADRN CC[C@@H](Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014071 1067008454 /nfs/dbraw/zinc/00/84/54/1067008454.db2.gz BBWHKSSNZFMCPI-AWEZNQCLSA-N 0 0 484.439 4.871 20 0 JJADRN Cc1cc(C)nc(N2CCN(C(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)n1 ZINC001458231847 1067008564 /nfs/dbraw/zinc/00/85/64/1067008564.db2.gz GSJHNAKSWIWQAW-QFIPXVFZSA-N 0 0 454.546 4.554 20 0 JJADRN CC[C@H](CNc1nc(C)ncc1I)Oc1ccccc1C(F)(F)F ZINC001458233783 1067008909 /nfs/dbraw/zinc/00/89/09/1067008909.db2.gz PVMUPEHGBNQSIA-LLVKDONJSA-N 0 0 451.230 4.678 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545741900 1067008979 /nfs/dbraw/zinc/00/89/79/1067008979.db2.gz YNYIKAREOAXDQF-XMMPIXPASA-N 0 0 481.685 4.864 20 0 JJADRN Fc1ccccc1CC1CCN(c2ncnc3cc(I)sc32)CC1 ZINC001458238684 1067009712 /nfs/dbraw/zinc/00/97/12/1067009712.db2.gz JYCRPCBDHXUDKE-UHFFFAOYSA-N 0 0 453.324 4.894 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H](C)Cc2cccc(O)c2)cc1 ZINC001449468161 1067010470 /nfs/dbraw/zinc/01/04/70/1067010470.db2.gz HEYRYIUPOXRRSE-QGZVFWFLSA-N 0 0 455.601 4.698 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@](C)(OC)C1CC1)c1ccccc1 ZINC001545743759 1067010634 /nfs/dbraw/zinc/01/06/34/1067010634.db2.gz QFHSGPBONMRYJW-KNQAVFIVSA-N 0 0 466.548 4.529 20 0 JJADRN CC(C)n1nnnc1-c1ccc(NC(=O)c2cc(Br)cc3cccnc32)cc1F ZINC001458243239 1067010604 /nfs/dbraw/zinc/01/06/04/1067010604.db2.gz LFQAMUXLJYFNHV-UHFFFAOYSA-N 0 0 455.291 4.623 20 0 JJADRN Cn1cc([C@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c2ccccc2)cn1 ZINC001458243585 1067010753 /nfs/dbraw/zinc/01/07/53/1067010753.db2.gz INEXIBBMRIWXHT-OAQYLSRUSA-N 0 0 457.317 4.813 20 0 JJADRN CC(=O)c1ccc(F)cc1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC001458244248 1067010801 /nfs/dbraw/zinc/01/08/01/1067010801.db2.gz MUCRWIDPUNMMQJ-UHFFFAOYSA-N 0 0 454.523 4.561 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)cc(NC(=O)OC(C)(C)C)c1 ZINC001449472078 1067010971 /nfs/dbraw/zinc/01/09/71/1067010971.db2.gz SHJUKZVGPPPDCK-UHFFFAOYSA-N 0 0 459.543 4.890 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c2ccccc2)cn1 ZINC001458243579 1067010880 /nfs/dbraw/zinc/01/08/80/1067010880.db2.gz INEXIBBMRIWXHT-NRFANRHFSA-N 0 0 457.317 4.813 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001545744126 1067010973 /nfs/dbraw/zinc/01/09/73/1067010973.db2.gz WWFRAWIDPZIVQZ-HOFKKMOUSA-N 0 0 463.626 4.732 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC3CCCC3)CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545743968 1067011066 /nfs/dbraw/zinc/01/10/66/1067011066.db2.gz UMWWJLQDPQWHON-HSZRJFAPSA-N 0 0 467.658 4.520 20 0 JJADRN CC[C@H](c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545744270 1067011414 /nfs/dbraw/zinc/01/14/14/1067011414.db2.gz ZCELGGGPJMCYOV-IBGZPJMESA-N 0 0 463.548 4.611 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001458248891 1067011805 /nfs/dbraw/zinc/01/18/05/1067011805.db2.gz UJIHKIBNXJYVEV-QMMMGPOBSA-N 0 0 458.200 4.581 20 0 JJADRN COc1ccc2onc(CC(=O)Nc3c(Br)cc(F)cc3Br)c2c1 ZINC001458247308 1067011814 /nfs/dbraw/zinc/01/18/14/1067011814.db2.gz RMAHBRDZYDLYKW-UHFFFAOYSA-N 0 0 458.081 4.682 20 0 JJADRN NC(=O)c1ccc(CCC(=O)Nc2sc3c(c2C(=O)c2cccc(Cl)c2)CCC3)cc1 ZINC001458248058 1067011875 /nfs/dbraw/zinc/01/18/75/1067011875.db2.gz VQMJIVYUPRDCQN-UHFFFAOYSA-N 0 0 452.963 4.791 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC001449492709 1067011964 /nfs/dbraw/zinc/01/19/64/1067011964.db2.gz WTTLHJTWGUGYQU-GOSISDBHSA-N 0 0 459.930 4.660 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545745528 1067011995 /nfs/dbraw/zinc/01/19/95/1067011995.db2.gz CCGBXAIZABQMRM-YADHBBJMSA-N 0 0 460.688 4.906 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)OC ZINC001546014969 1067012255 /nfs/dbraw/zinc/01/22/55/1067012255.db2.gz RDKXPPCOVJXXNA-LEWJYISDSA-N 0 0 487.714 4.683 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)OC ZINC001546014972 1067012308 /nfs/dbraw/zinc/01/23/08/1067012308.db2.gz RDKXPPCOVJXXNA-SFTDATJTSA-N 0 0 487.714 4.683 20 0 JJADRN COc1cc(/C=C(\C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)c2ccccc2)ccc1O ZINC001449504467 1067012400 /nfs/dbraw/zinc/01/24/00/1067012400.db2.gz DIUIZOSSFNRXKY-VYZAVGSRSA-N 0 0 457.530 4.792 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(C)c(Br)c1)c1cccc(Br)c1 ZINC001458253082 1067012675 /nfs/dbraw/zinc/01/26/75/1067012675.db2.gz IUZDWNUMJUQSLY-MRXNPFEDSA-N 0 0 455.146 4.554 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001449522116 1067012613 /nfs/dbraw/zinc/01/26/13/1067012613.db2.gz JQMKJPHUANJERF-HXUWFJFHSA-N 0 0 455.603 4.507 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1([S@](C)=O)CCC1)c1ccccc1 ZINC001545745859 1067012752 /nfs/dbraw/zinc/01/27/52/1067012752.db2.gz HOYPBQGWYYMBFU-ACIAVJDNSA-N 0 0 468.589 4.900 20 0 JJADRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001458253437 1067012818 /nfs/dbraw/zinc/01/28/18/1067012818.db2.gz NSLGHGILNQAAQW-UHFFFAOYSA-N 0 0 453.262 4.698 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC001458252888 1067012861 /nfs/dbraw/zinc/01/28/61/1067012861.db2.gz MMVOWTBSUANQMH-UHFFFAOYSA-N 0 0 451.470 4.717 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001546015055 1067012935 /nfs/dbraw/zinc/01/29/35/1067012935.db2.gz SNMIZETXLVLBGI-QUCCMNQESA-N 0 0 461.035 4.724 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001449526913 1067013029 /nfs/dbraw/zinc/01/30/29/1067013029.db2.gz QAKLAMLRVCPOCC-UHFFFAOYSA-N 0 0 457.347 4.712 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)NCC3(C)CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC001458254561 1067013191 /nfs/dbraw/zinc/01/31/91/1067013191.db2.gz GINSVJLZLVDHRK-UHFFFAOYSA-N 0 0 459.612 4.976 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1csc2sc(C)cc12)c1cccc(Br)c1 ZINC001458254160 1067013235 /nfs/dbraw/zinc/01/32/35/1067013235.db2.gz ONNNOPINTADTKH-MRXNPFEDSA-N 0 0 452.395 4.997 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C)C2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545746029 1067013356 /nfs/dbraw/zinc/01/33/56/1067013356.db2.gz JKKMCFNFOUVVPB-CTNGQTDRSA-N 0 0 462.585 4.887 20 0 JJADRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccn(CCc2ccccc2)n1 ZINC001458255357 1067013568 /nfs/dbraw/zinc/01/35/68/1067013568.db2.gz DSBNFCAAJGFALR-UHFFFAOYSA-N 0 0 457.405 4.827 20 0 JJADRN CCCCN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001449540130 1067014160 /nfs/dbraw/zinc/01/41/60/1067014160.db2.gz IGNMSLGSCOLIBD-DNQXCXABSA-N 0 0 476.614 4.755 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CC[S@@](=O)CC)c1ccccc1 ZINC001545746468 1067014319 /nfs/dbraw/zinc/01/43/19/1067014319.db2.gz PHNSWKJTBMRMRP-FZXPRRQPSA-N 0 0 471.696 4.738 20 0 JJADRN CC[C@@H](Cn1c(N(C)Cc2ccc(OC)c(C)c2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015415 1067014459 /nfs/dbraw/zinc/01/44/59/1067014459.db2.gz ZRGFKAMWAMTQSP-IBGZPJMESA-N 0 0 459.635 4.832 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015390 1067014483 /nfs/dbraw/zinc/01/44/83/1067014483.db2.gz ZCLNVCAKOJDTLI-UVPKRVSESA-N 0 0 460.594 4.550 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545746503 1067014548 /nfs/dbraw/zinc/01/45/48/1067014548.db2.gz PTYKEBISZKAAEL-OYYWEJDMSA-N 0 0 467.658 4.507 20 0 JJADRN C[C@@H](OC(=O)c1cn(C)nc1I)c1ccc(SC(F)(F)F)cc1 ZINC001458258101 1067014571 /nfs/dbraw/zinc/01/45/71/1067014571.db2.gz YXNLFIJCXRXUOL-MRVPVSSYSA-N 0 0 456.227 4.555 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cnc1N1CCCC[C@@H]1C ZINC001458257559 1067014620 /nfs/dbraw/zinc/01/46/20/1067014620.db2.gz KSJGWTIEMKWASL-REDKUUPNSA-N 0 0 458.965 4.719 20 0 JJADRN Cc1cc(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cnc1N1CCCC[C@H]1C ZINC001458257945 1067014760 /nfs/dbraw/zinc/01/47/60/1067014760.db2.gz MCEMBBZUWPWUGW-OAHLLOKOSA-N 0 0 459.381 4.968 20 0 JJADRN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)ccc12 ZINC001458259503 1067015409 /nfs/dbraw/zinc/01/54/09/1067015409.db2.gz RENUJIBJMCIFHH-OFNKIYASSA-N 0 0 455.917 4.522 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545746692 1067015349 /nfs/dbraw/zinc/01/53/49/1067015349.db2.gz SVTJQXAUBNMXML-GOTSBHOMSA-N 0 0 491.636 4.830 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001546015532 1067015348 /nfs/dbraw/zinc/01/53/48/1067015348.db2.gz CRXJBYWGFOUHTI-GDLZYMKVSA-N 0 0 457.570 4.911 20 0 JJADRN COc1cc(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c2ccccc2n1 ZINC001449574490 1067015381 /nfs/dbraw/zinc/01/53/81/1067015381.db2.gz DANCMJMVIWRWCS-JOCHJYFZSA-N 0 0 453.583 4.741 20 0 JJADRN O=C(Nc1cccc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)c1)c1ccccc1 ZINC001458262531 1067015592 /nfs/dbraw/zinc/01/55/92/1067015592.db2.gz BWWXWKKJMMAFIK-UHFFFAOYSA-N 0 0 452.429 4.984 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)C2CC(OCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458264451 1067016157 /nfs/dbraw/zinc/01/61/57/1067016157.db2.gz KDOZGUZJKFKHMV-XSJMIZFQSA-N 0 0 458.961 4.641 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)C2CC(OCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458264441 1067016206 /nfs/dbraw/zinc/01/62/06/1067016206.db2.gz KDOZGUZJKFKHMV-IDMMRLHFSA-N 0 0 458.961 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC001449592242 1067016476 /nfs/dbraw/zinc/01/64/76/1067016476.db2.gz ZNNJVHQGTKRUOT-NRFANRHFSA-N 0 0 456.562 4.509 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CSCc2ccc(F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458266193 1067016524 /nfs/dbraw/zinc/01/65/24/1067016524.db2.gz NLKQPKJQNVQNIP-SIKLNZKXSA-N 0 0 452.954 4.718 20 0 JJADRN COc1ccc(Br)c(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458265730 1067016698 /nfs/dbraw/zinc/01/66/98/1067016698.db2.gz QREVCEKHYSDJCF-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545747108 1067016720 /nfs/dbraw/zinc/01/67/20/1067016720.db2.gz ZGPRJOHLWXJMNF-KCWPFWIISA-N 0 0 467.658 4.522 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC001449598591 1067016792 /nfs/dbraw/zinc/01/67/92/1067016792.db2.gz RLOHVHGHSATHQZ-MGPUTAFESA-N 0 0 456.783 4.949 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(Br)c1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001546098821 1067016863 /nfs/dbraw/zinc/01/68/63/1067016863.db2.gz OOGZTGAFGYAHQO-NHKNYXOTSA-N 0 0 450.201 4.767 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)Nc2ccccc2)nn1 ZINC001458269718 1067016894 /nfs/dbraw/zinc/01/68/94/1067016894.db2.gz XTSHHISELITPQU-UHFFFAOYSA-N 0 0 458.349 4.891 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1)C(C)(F)F ZINC001545747237 1067016991 /nfs/dbraw/zinc/01/69/91/1067016991.db2.gz AUCMMAPVKSJULU-KRWDZBQOSA-N 0 0 450.489 4.524 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)/C=C/c2ccc3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458269872 1067016943 /nfs/dbraw/zinc/01/69/43/1067016943.db2.gz XWXIYDYRBBJKQX-NMDSQGMFSA-N 0 0 451.929 4.907 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270951 1067017171 /nfs/dbraw/zinc/01/71/71/1067017171.db2.gz DGELGKBMNIOEOD-FGZHOGPDSA-N 0 0 455.432 4.701 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Cl)c2)cc1C(F)F ZINC001458271830 1067017678 /nfs/dbraw/zinc/01/76/78/1067017678.db2.gz AYESTWABRVELED-UHFFFAOYSA-N 0 0 452.704 4.625 20 0 JJADRN CCn1c(SCC(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)nnc1-c1ccc(Cl)cc1 ZINC001449611108 1067017924 /nfs/dbraw/zinc/01/79/24/1067017924.db2.gz UJNPNHQNEMDARY-UAPYVXQJSA-N 0 0 456.999 4.782 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545748744 1067018195 /nfs/dbraw/zinc/01/81/95/1067018195.db2.gz FGFDBSCJXSBDNR-GOTSBHOMSA-N 0 0 450.631 4.900 20 0 JJADRN O=C(CCC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)Nc1nnc(C2CCCCC2)s1 ZINC001449629269 1067018346 /nfs/dbraw/zinc/01/83/46/1067018346.db2.gz BECGPWVMKWPCQS-AWEZNQCLSA-N 0 0 452.502 4.526 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCN([C@H](C)CC)CC1 ZINC001449625497 1067018408 /nfs/dbraw/zinc/01/84/08/1067018408.db2.gz QLAMSYRGWGSYRU-MRXNPFEDSA-N 0 0 456.578 4.890 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(Br)ncc1Br ZINC001458273388 1067018463 /nfs/dbraw/zinc/01/84/63/1067018463.db2.gz CQCAIERYBLZZBJ-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545748955 1067018859 /nfs/dbraw/zinc/01/88/59/1067018859.db2.gz HPOZPNAJUFCCEW-RTWAWAEBSA-N 0 0 451.640 4.995 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)C(C)(C)C1 ZINC001458275809 1067018901 /nfs/dbraw/zinc/01/89/01/1067018901.db2.gz IZCWIWBUHCVXJU-UHFFFAOYSA-N 0 0 452.986 4.788 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545748911 1067019019 /nfs/dbraw/zinc/01/90/19/1067019019.db2.gz HBLZJXDDGCTADD-VXKWHMMOSA-N 0 0 466.630 4.928 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545748889 1067019043 /nfs/dbraw/zinc/01/90/43/1067019043.db2.gz GTGGNEVTNJHVJC-BJKOFHAPSA-N 0 0 477.653 4.659 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1)C2=O ZINC001449653469 1067019304 /nfs/dbraw/zinc/01/93/04/1067019304.db2.gz PMUPAJPCBVLULJ-JNYNXIGOSA-N 0 0 453.627 4.604 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545749088 1067019333 /nfs/dbraw/zinc/01/93/33/1067019333.db2.gz JYFACLXCUMTORX-ZWKOTPCHSA-N 0 0 451.537 4.513 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001458277668 1067019431 /nfs/dbraw/zinc/01/94/31/1067019431.db2.gz NDELGKCIKZCIBS-SKDZVZGDSA-N 0 0 455.393 4.718 20 0 JJADRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCOc1ccc2ccccc2c1 ZINC001449665831 1067019450 /nfs/dbraw/zinc/01/94/50/1067019450.db2.gz XYFIQCCBFGBIRZ-SFHVURJKSA-N 0 0 456.380 4.647 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545749345 1067019771 /nfs/dbraw/zinc/01/97/71/1067019771.db2.gz MZSAGPVCVFYBNU-RPWUZVMVSA-N 0 0 490.652 4.951 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545749472 1067020556 /nfs/dbraw/zinc/02/05/56/1067020556.db2.gz OMCMIVQOLWQUQB-GOTSBHOMSA-N 0 0 450.631 4.982 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545749647 1067020691 /nfs/dbraw/zinc/02/06/91/1067020691.db2.gz QVSWVMXOULALND-FCHUYYIVSA-N 0 0 455.647 4.519 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545749648 1067020727 /nfs/dbraw/zinc/02/07/27/1067020727.db2.gz QVSWVMXOULALND-FGZHOGPDSA-N 0 0 455.647 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCCOc3ccc(F)cc3F)C2)C1 ZINC001449690276 1067020862 /nfs/dbraw/zinc/02/08/62/1067020862.db2.gz HJHXAZKFCGNFSC-MSOLQXFVSA-N 0 0 452.542 4.619 20 0 JJADRN Cc1ccc(SCCC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC001458283142 1067020750 /nfs/dbraw/zinc/02/07/50/1067020750.db2.gz AZRMNIWVADUJSR-FQEVSTJZSA-N 0 0 450.526 4.803 20 0 JJADRN CCOC(=O)c1oc(N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)nc1C(F)(F)F ZINC001458282809 1067020822 /nfs/dbraw/zinc/02/08/22/1067020822.db2.gz SYBRXHAUZLOPDG-JOYOIKCWSA-N 0 0 451.239 4.821 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(CC)c(OC)c3)c2)cc1 ZINC001449696939 1067021077 /nfs/dbraw/zinc/02/10/77/1067021077.db2.gz FDGWHYPWVNUONF-UHFFFAOYSA-N 0 0 454.548 4.709 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545749936 1067021335 /nfs/dbraw/zinc/02/13/35/1067021335.db2.gz VVTYQWKHBPNJOJ-XQUALCHDSA-N 0 0 481.685 4.766 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545749958 1067021360 /nfs/dbraw/zinc/02/13/60/1067021360.db2.gz WBHPWYRAVVFCGD-ZRBLBEILSA-N 0 0 485.673 4.985 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccc(F)cn1)c1ccccc1 ZINC001545750155 1067021836 /nfs/dbraw/zinc/02/18/36/1067021836.db2.gz YSZAREZFLJLIGA-LEWJYISDSA-N 0 0 477.506 4.950 20 0 JJADRN CC[C@H](OC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1cc(C)ccc1OC ZINC001458287114 1067022009 /nfs/dbraw/zinc/02/20/09/1067022009.db2.gz VUSPXEIIPRGYLM-OKRNDORHSA-N 0 0 457.592 4.711 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545750061 1067022023 /nfs/dbraw/zinc/02/20/23/1067022023.db2.gz XPINMJVVEHXOSC-VQTJNVASSA-N 0 0 454.644 4.812 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC001458286150 1067022061 /nfs/dbraw/zinc/02/20/61/1067022061.db2.gz FXMHTEKDUSRCCN-QFIPXVFZSA-N 0 0 455.986 4.634 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545750168 1067022388 /nfs/dbraw/zinc/02/23/88/1067022388.db2.gz YUFIBAGDSRNCBS-CEMLEFRQSA-N 0 0 471.646 4.691 20 0 JJADRN O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC1CCC(OC(F)F)CC1 ZINC001449715401 1067022779 /nfs/dbraw/zinc/02/27/79/1067022779.db2.gz QAIKRJSUSOZTHT-UHFFFAOYSA-N 0 0 458.505 4.582 20 0 JJADRN COc1cc([C@@H](NC(=O)c2csc(-c3cccs3)n2)C(F)(F)F)cc(OC)c1OC ZINC001458290653 1067022821 /nfs/dbraw/zinc/02/28/21/1067022821.db2.gz IWGHFTFFXIEAAY-MRXNPFEDSA-N 0 0 458.483 4.931 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)c3ccn(-c4ccc(Br)cc4)n3)cc2Cl)n[nH]1 ZINC001458292559 1067022876 /nfs/dbraw/zinc/02/28/76/1067022876.db2.gz ABGJOMXBVNVYGP-UHFFFAOYSA-N 0 0 457.719 4.634 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1 ZINC001449717900 1067023380 /nfs/dbraw/zinc/02/33/80/1067023380.db2.gz ZHMFJXCHOLKOPR-YYWHXJBOSA-N 0 0 458.647 4.645 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001545751286 1067023465 /nfs/dbraw/zinc/02/34/65/1067023465.db2.gz CCZFGLNFMPVNOD-CPJSRVTESA-N 0 0 457.569 4.528 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)CCOc2ccc3ccccc3c2)cc1Br ZINC001449728804 1067023451 /nfs/dbraw/zinc/02/34/51/1067023451.db2.gz DXATVFMKKAFXRM-LJQANCHMSA-N 0 0 456.380 4.647 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545751388 1067024133 /nfs/dbraw/zinc/02/41/33/1067024133.db2.gz FCKXASIJWDTNNT-VUMQFKOGSA-N 0 0 488.698 4.571 20 0 JJADRN COc1cc([C@H](NC(=O)C[C@H]2OCc3cc(Cl)ccc32)C(F)(F)F)cc(OC)c1OC ZINC001458295200 1067024040 /nfs/dbraw/zinc/02/40/40/1067024040.db2.gz XEKRXFLYBDHNAA-QRWLVFNGSA-N 0 0 459.848 4.747 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1F ZINC001458295376 1067024163 /nfs/dbraw/zinc/02/41/63/1067024163.db2.gz XGGQOMIGPDZCQC-VUBAQRPUSA-N 0 0 457.420 4.683 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(n3)CCC4)c2)cc1C ZINC001449739794 1067024344 /nfs/dbraw/zinc/02/43/44/1067024344.db2.gz NXWKZCYEUFEFSL-UHFFFAOYSA-N 0 0 455.967 4.894 20 0 JJADRN Cc1cccc(-c2cncc(C(=O)NC[C@@H](CO)Cc3cc(Br)ccc3F)c2)c1 ZINC001449741520 1067024413 /nfs/dbraw/zinc/02/44/13/1067024413.db2.gz NOWDSAVGXLEQOC-INIZCTEOSA-N 0 0 457.343 4.540 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545751527 1067024700 /nfs/dbraw/zinc/02/47/00/1067024700.db2.gz HEYBEVKCNXHGQM-BDTNDASRSA-N 0 0 479.591 4.710 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)cs2)cc1 ZINC001546099057 1067024785 /nfs/dbraw/zinc/02/47/85/1067024785.db2.gz VBXXUGXZQQJEMK-GOSISDBHSA-N 0 0 453.568 4.781 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]3c3ncc[nH]3)cs2)cc1 ZINC001546099058 1067024904 /nfs/dbraw/zinc/02/49/04/1067024904.db2.gz VBXXUGXZQQJEMK-SFHVURJKSA-N 0 0 453.568 4.781 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001545751677 1067025021 /nfs/dbraw/zinc/02/50/21/1067025021.db2.gz JQIMYWWMHMFZGM-LEWJYISDSA-N 0 0 459.585 4.704 20 0 JJADRN CN1CCCc2cc(COC(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)ccc21 ZINC001458308924 1067026058 /nfs/dbraw/zinc/02/60/58/1067026058.db2.gz LGROWYCQQFSVLR-ZFVPXTALSA-N 0 0 452.982 4.860 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)OCc3ccc4c(c3)CCCN4C)[nH]c(=O)c2c1C ZINC001458307376 1067026157 /nfs/dbraw/zinc/02/61/57/1067026157.db2.gz AUUAOKMXNBAFMS-OAHLLOKOSA-N 0 0 457.621 4.761 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H]1OCCC1(C)C)c1ccccc1 ZINC001545751924 1067026247 /nfs/dbraw/zinc/02/62/47/1067026247.db2.gz NOMFGBSUZDWQNN-DNQXCXABSA-N 0 0 497.684 4.940 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N(c3ccc(N(C)C)cc3)[C@H](C)c3ccccn3)CC2=O)cc1 ZINC001458311665 1067026793 /nfs/dbraw/zinc/02/67/93/1067026793.db2.gz XQKKQKMKUIMZOM-FYYLOGMGSA-N 0 0 456.590 4.599 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N(c3ccc(N(C)C)cc3)[C@@H](C)c3ccccn3)CC2=O)cc1 ZINC001458311688 1067027060 /nfs/dbraw/zinc/02/70/60/1067027060.db2.gz XQKKQKMKUIMZOM-GMAHTHKFSA-N 0 0 456.590 4.599 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545752159 1067027106 /nfs/dbraw/zinc/02/71/06/1067027106.db2.gz RTGJJOCXMBMIRB-RBUKOAKNSA-N 0 0 472.577 4.566 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)s1 ZINC001449773657 1067027346 /nfs/dbraw/zinc/02/73/46/1067027346.db2.gz HEQXBWGRMXEBIH-CTNGQTDRSA-N 0 0 471.623 4.653 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458313899 1067027330 /nfs/dbraw/zinc/02/73/30/1067027330.db2.gz DDZBCSDHICRHBX-JPYJTQIMSA-N 0 0 456.583 4.755 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc(C)nc(C(F)(F)F)n1)C(F)(F)F ZINC001458314138 1067027415 /nfs/dbraw/zinc/02/74/15/1067027415.db2.gz APSZTHIJMGVZDM-MRXNPFEDSA-N 0 0 457.378 4.640 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001458313918 1067027566 /nfs/dbraw/zinc/02/75/66/1067027566.db2.gz DIMJSXGRHKDVGD-HSZRJFAPSA-N 0 0 456.583 4.675 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@H](CCOC)Cc3cccc(Br)c3)ccc2[nH]1 ZINC001458314215 1067027578 /nfs/dbraw/zinc/02/75/78/1067027578.db2.gz BGGYTDRXRDRESG-MRXNPFEDSA-N 0 0 457.368 4.687 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)OC(C)(C)C)CC3)c(Cl)c2c1 ZINC001449779356 1067027647 /nfs/dbraw/zinc/02/76/47/1067027647.db2.gz ZPXAAAHXBXYUHM-NQIIRXRSSA-N 0 0 461.990 4.664 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001545752307 1067027699 /nfs/dbraw/zinc/02/76/99/1067027699.db2.gz UXFQNPWERIBDJX-RBBKRZOGSA-N 0 0 473.612 4.950 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC001458314374 1067027948 /nfs/dbraw/zinc/02/79/48/1067027948.db2.gz CRLYKBSAZNOCBJ-AOMKIAJQSA-N 0 0 458.345 4.555 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1(OC)CCCC1)c1ccccc1 ZINC001545752419 1067028200 /nfs/dbraw/zinc/02/82/00/1067028200.db2.gz XHPLLFOLLJVBNC-NRFANRHFSA-N 0 0 479.591 4.854 20 0 JJADRN COc1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cc(OC)c1Br ZINC001458315846 1067028132 /nfs/dbraw/zinc/02/81/32/1067028132.db2.gz NLOXCQKNOGIQTR-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)C(=O)OC(C)(C)C ZINC001449788439 1067028149 /nfs/dbraw/zinc/02/81/49/1067028149.db2.gz WFERRJKTDLCQFZ-QGZVFWFLSA-N 0 0 451.514 4.945 20 0 JJADRN COc1ccc([C@H](C)OC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c(Br)c1 ZINC001458317163 1067028527 /nfs/dbraw/zinc/02/85/27/1067028527.db2.gz JQYFTPFSHUZFLL-JTQLQIEISA-N 0 0 454.683 4.749 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)Nc3ccnc(OCC(F)(F)C(F)F)c3)c21 ZINC001458316771 1067028726 /nfs/dbraw/zinc/02/87/26/1067028726.db2.gz SFUQIOBGNBXVSU-UHFFFAOYSA-N 0 0 454.424 4.715 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(C)cc2I)no1 ZINC001458318045 1067028740 /nfs/dbraw/zinc/02/87/40/1067028740.db2.gz DURGEKLFHLJELY-UHFFFAOYSA-N 0 0 452.223 4.655 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449790137 1067028649 /nfs/dbraw/zinc/02/86/49/1067028649.db2.gz RDNDGKDRWFNEEX-KKSFZXQISA-N 0 0 455.368 4.729 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c(O)c1)c1cccc(Br)c1 ZINC001545752819 1067028955 /nfs/dbraw/zinc/02/89/55/1067028955.db2.gz DRTZXSYYUBVNIG-HNNXBMFYSA-N 0 0 453.283 4.715 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccc(C)nc1)c1ccccc1 ZINC001545752596 1067029009 /nfs/dbraw/zinc/02/90/09/1067029009.db2.gz ZWAOWQKMLHAEEL-VWLOTQADSA-N 0 0 490.652 4.876 20 0 JJADRN CC[C@@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)cn1C)c1ccccc1 ZINC001546016906 1067029006 /nfs/dbraw/zinc/02/90/06/1067029006.db2.gz LFGDMTRJDVZLQQ-HNNXBMFYSA-N 0 0 454.376 4.717 20 0 JJADRN CC1(CNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCCCCC1 ZINC001458320460 1067029398 /nfs/dbraw/zinc/02/93/98/1067029398.db2.gz JLLZJZXNPOWWGR-SFHVURJKSA-N 0 0 458.462 4.519 20 0 JJADRN CC1(CNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CCCCCC1 ZINC001458320457 1067029480 /nfs/dbraw/zinc/02/94/80/1067029480.db2.gz JLLZJZXNPOWWGR-GOSISDBHSA-N 0 0 458.462 4.519 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)c1ccc(OC)c(Br)c1 ZINC001458320137 1067029544 /nfs/dbraw/zinc/02/95/44/1067029544.db2.gz SPGYXSMLOPUNBT-WAOWUJCRSA-N 0 0 460.368 4.599 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1cc(Br)no1 ZINC001449803449 1067029835 /nfs/dbraw/zinc/02/98/35/1067029835.db2.gz ZHGDIUONGBHYGK-JTQLQIEISA-N 0 0 456.749 4.684 20 0 JJADRN CCC(CC)(C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CO)C(=O)OC(C)(C)C ZINC001449801716 1067029935 /nfs/dbraw/zinc/02/99/35/1067029935.db2.gz QJBRUFDSRZUWFQ-CYBMUJFWSA-N 0 0 457.493 4.695 20 0 JJADRN CCC(CC)(C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)c1ccc(OC)c(OC)c1 ZINC001458320952 1067029930 /nfs/dbraw/zinc/02/99/30/1067029930.db2.gz MKEUXHNZFDTBQJ-UHFFFAOYSA-N 0 0 451.563 4.849 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1CCCC1)c1ccccc1 ZINC001545754101 1067030174 /nfs/dbraw/zinc/03/01/74/1067030174.db2.gz FTVYYPYVSMBSFR-QFIPXVFZSA-N 0 0 452.647 4.640 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c1 ZINC001458321457 1067030161 /nfs/dbraw/zinc/03/01/61/1067030161.db2.gz SPBQPYHAECFWMW-UHFFFAOYSA-N 0 0 456.214 4.965 20 0 JJADRN COc1ccc([C@H](C)OC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)c(Br)c1 ZINC001458322533 1067030172 /nfs/dbraw/zinc/03/01/72/1067030172.db2.gz YUERYSOPDZSSTJ-AWEZNQCLSA-N 0 0 457.361 4.591 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545754218 1067030478 /nfs/dbraw/zinc/03/04/78/1067030478.db2.gz ILXXRHJMYSZJRL-HIGZBPRKSA-N 0 0 497.684 4.938 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCC(C)(C)c1ccccn1 ZINC001449804766 1067030452 /nfs/dbraw/zinc/03/04/52/1067030452.db2.gz WLVIPQWFHWQYBM-UHFFFAOYSA-N 0 0 458.628 4.669 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545754216 1067030583 /nfs/dbraw/zinc/03/05/83/1067030583.db2.gz ILXXRHJMYSZJRL-AWAHEQQVSA-N 0 0 497.684 4.938 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017505 1067030699 /nfs/dbraw/zinc/03/06/99/1067030699.db2.gz VTWNOOCUUBEQMD-OALUTQOASA-N 0 0 470.593 4.723 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1Cc1cccs1)OC ZINC001546017559 1067030871 /nfs/dbraw/zinc/03/08/71/1067030871.db2.gz WZKHZMXISPXFDS-ZGXWSNOMSA-N 0 0 489.686 4.747 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001458324114 1067030973 /nfs/dbraw/zinc/03/09/73/1067030973.db2.gz YVBCTMFAWSQQKJ-LSDHHAIUSA-N 0 0 463.472 4.773 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cc1F ZINC001449842261 1067031522 /nfs/dbraw/zinc/03/15/22/1067031522.db2.gz GLTJUDGNWSCUGB-ZDUSSCGKSA-N 0 0 453.436 4.718 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)cc1F ZINC001449842245 1067031537 /nfs/dbraw/zinc/03/15/37/1067031537.db2.gz GLTJUDGNWSCUGB-CYBMUJFWSA-N 0 0 453.436 4.718 20 0 JJADRN CC(C)(C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1)C(N)=O ZINC001449842335 1067031637 /nfs/dbraw/zinc/03/16/37/1067031637.db2.gz NWVIVRWKKPQYDZ-INIZCTEOSA-N 0 0 459.384 4.995 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CCc3cc(Br)cc(F)c3C2)o1 ZINC001458327207 1067031758 /nfs/dbraw/zinc/03/17/58/1067031758.db2.gz RLPLOZYLWKXARV-ALCCZGGFSA-N 0 0 450.304 4.735 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545754811 1067031687 /nfs/dbraw/zinc/03/16/87/1067031687.db2.gz VJYUUJHEFOYUFB-JOCHJYFZSA-N 0 0 494.640 4.725 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC[C@H]1C[C@H](F)C1)c1ccccc1 ZINC001545754829 1067031746 /nfs/dbraw/zinc/03/17/46/1067031746.db2.gz VWIZGVKHVAWAIO-PMVMPFDFSA-N 0 0 470.637 4.542 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@]1(C)CCCO1)c1ccccc1 ZINC001545754874 1067032202 /nfs/dbraw/zinc/03/22/02/1067032202.db2.gz XPVRPADHKGIUJU-YRTUYQHASA-N 0 0 483.657 4.835 20 0 JJADRN CS(=O)(=O)CCCCCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC001458330556 1067032549 /nfs/dbraw/zinc/03/25/49/1067032549.db2.gz GYQRBDQXBIUNSA-UHFFFAOYSA-N 0 0 454.415 4.748 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)c1ncnc2cc(Cl)ccc21 ZINC001458331093 1067032576 /nfs/dbraw/zinc/03/25/76/1067032576.db2.gz JFQUTBNJNADUDH-UHFFFAOYSA-N 0 0 450.764 4.832 20 0 JJADRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1c(F)ccc(I)c1Cl ZINC001458333138 1067032817 /nfs/dbraw/zinc/03/28/17/1067032817.db2.gz OMZNPTRBOSSKEA-UHFFFAOYSA-N 0 0 457.592 4.773 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCCCC1)[C@@H]1CCCN1Cc1ccccn1 ZINC001449868091 1067033036 /nfs/dbraw/zinc/03/30/36/1067033036.db2.gz OCMUZQJKWJOMOL-QFIPXVFZSA-N 0 0 456.428 4.827 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1(C)C ZINC001449874575 1067033098 /nfs/dbraw/zinc/03/30/98/1067033098.db2.gz DHORJKXSYOSRHR-CGTJXYLNSA-N 0 0 451.405 4.704 20 0 JJADRN C[Si](C)(C)c1ccc(CNc2ncnc3c2cnn3-c2cccc(Br)c2)cc1 ZINC001458333815 1067033281 /nfs/dbraw/zinc/03/32/81/1067033281.db2.gz FEKGSMMELSRLMB-UHFFFAOYSA-N 0 0 452.432 4.735 20 0 JJADRN CC(C)c1cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc(C(C)C)n1 ZINC001458334650 1067033314 /nfs/dbraw/zinc/03/33/14/1067033314.db2.gz VTAQKYJEOHUMLI-UHFFFAOYSA-N 0 0 451.398 4.758 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)c2)n1 ZINC001449876498 1067033514 /nfs/dbraw/zinc/03/35/14/1067033514.db2.gz HXBZYHXPOPDFLF-HXUWFJFHSA-N 0 0 451.368 4.789 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001458336607 1067033692 /nfs/dbraw/zinc/03/36/92/1067033692.db2.gz XGNDIOSNAPCVMN-UHFFFAOYSA-N 0 0 456.274 4.741 20 0 JJADRN CC[C@H](C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)nc(C)n1 ZINC001458334927 1067033808 /nfs/dbraw/zinc/03/38/08/1067033808.db2.gz JEJKPPWUVFDBMH-PXNSSMCTSA-N 0 0 456.587 4.769 20 0 JJADRN FC(F)(F)c1cc([C@H]2CN(c3nc(Cl)nc4nc[nH]c43)CCO2)cc(C(F)(F)F)c1 ZINC001458336903 1067034055 /nfs/dbraw/zinc/03/40/55/1067034055.db2.gz LCGSJGSDQYSEAG-LLVKDONJSA-N 0 0 451.758 4.622 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001546017896 1067034322 /nfs/dbraw/zinc/03/43/22/1067034322.db2.gz HYJDMIOQYFICEY-UHFFFAOYSA-N 0 0 459.946 4.723 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458338385 1067034627 /nfs/dbraw/zinc/03/46/27/1067034627.db2.gz ARKMWYGHLTZADQ-AAEUAGOBSA-N 0 0 459.718 4.543 20 0 JJADRN CN(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1)C(=O)OC(C)(C)C ZINC001449894346 1067034673 /nfs/dbraw/zinc/03/46/73/1067034673.db2.gz BBULIBKBZZFIEQ-NRFANRHFSA-N 0 0 451.567 4.544 20 0 JJADRN CN(Cc1ccc(NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)cc1)C(=O)OC(C)(C)C ZINC001449895238 1067034723 /nfs/dbraw/zinc/03/47/23/1067034723.db2.gz DKPMAWFRRYHAGH-UHFFFAOYSA-N 0 0 457.481 4.500 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cnc(C(C)(C)C)s1 ZINC001546018064 1067035169 /nfs/dbraw/zinc/03/51/69/1067035169.db2.gz OCJYZVQCLAEBNJ-UHFFFAOYSA-N 0 0 452.646 4.545 20 0 JJADRN CO[C@@](C)(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001449899421 1067035352 /nfs/dbraw/zinc/03/53/52/1067035352.db2.gz HJTFLPKEIDKRNZ-DEOSSOPVSA-N 0 0 452.348 4.972 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3nccnc3C)CC2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545757182 1067035512 /nfs/dbraw/zinc/03/55/12/1067035512.db2.gz VFCNPKPVUBTAME-QHCPKHFHSA-N 0 0 461.658 4.927 20 0 JJADRN CN(Cc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)cc1)C(=O)OC(C)(C)C ZINC001449902724 1067035714 /nfs/dbraw/zinc/03/57/14/1067035714.db2.gz POEMBVMFNSWFRS-INIZCTEOSA-N 0 0 457.518 4.541 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545758141 1067036248 /nfs/dbraw/zinc/03/62/48/1067036248.db2.gz APSPSMFKCPKUSV-YQVWRLOYSA-N 0 0 455.594 4.644 20 0 JJADRN CCCO[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1C ZINC001458342810 1067036190 /nfs/dbraw/zinc/03/61/90/1067036190.db2.gz FJYAVQZMECJYCB-PMACEKPBSA-N 0 0 453.341 4.830 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001458344843 1067037141 /nfs/dbraw/zinc/03/71/41/1067037141.db2.gz JJEAVPHEIXPVBP-GFRLJBLXSA-N 0 0 451.297 4.630 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458346034 1067037347 /nfs/dbraw/zinc/03/73/47/1067037347.db2.gz DIUAKSMPRANHDP-ZWKOTPCHSA-N 0 0 456.917 4.535 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC001458346933 1067037854 /nfs/dbraw/zinc/03/78/54/1067037854.db2.gz FWHIFGZHLHUGQC-NIYFSFCBSA-N 0 0 456.546 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545758555 1067038163 /nfs/dbraw/zinc/03/81/63/1067038163.db2.gz IYYVQUHBMNAFSF-BPYKYCOYSA-N 0 0 461.601 4.555 20 0 JJADRN CC[C@](C)(CNC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)OC ZINC001449949632 1067038083 /nfs/dbraw/zinc/03/80/83/1067038083.db2.gz BMRBMIYUFBKETF-SHQCIBLASA-N 0 0 450.579 4.721 20 0 JJADRN O=C(Nc1cccc(O)c1Br)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001449943265 1067038098 /nfs/dbraw/zinc/03/80/98/1067038098.db2.gz WEWVRIHCBGGHFX-AWEZNQCLSA-N 0 0 458.139 4.705 20 0 JJADRN CCOc1nc2cc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)ccc2o1 ZINC001449945692 1067038192 /nfs/dbraw/zinc/03/81/92/1067038192.db2.gz USYDEHQNHRHJKR-UHFFFAOYSA-N 0 0 451.504 4.588 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001458347662 1067038437 /nfs/dbraw/zinc/03/84/37/1067038437.db2.gz IBZPFKSAESCYJN-APPDUMDISA-N 0 0 457.162 4.726 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3cc(C)no3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545758535 1067038313 /nfs/dbraw/zinc/03/83/13/1067038313.db2.gz IVJMRLKRISWUOV-XMMPIXPASA-N 0 0 450.631 4.875 20 0 JJADRN CC[C@](C)(CNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)OC ZINC001449949629 1067038372 /nfs/dbraw/zinc/03/83/72/1067038372.db2.gz BMRBMIYUFBKETF-RPLLCQBOSA-N 0 0 450.579 4.721 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC001449967331 1067039050 /nfs/dbraw/zinc/03/90/50/1067039050.db2.gz BTSLDNZSNNTOOG-OAHLLOKOSA-N 0 0 456.999 4.764 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)c2c1C ZINC001458349744 1067039349 /nfs/dbraw/zinc/03/93/49/1067039349.db2.gz UAQWYMSIHONWLA-APWZRJJASA-N 0 0 452.624 4.929 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458349719 1067039450 /nfs/dbraw/zinc/03/94/50/1067039450.db2.gz UYTJXNOABRDZBN-JPYJTQIMSA-N 0 0 450.579 4.817 20 0 JJADRN C[C@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1C(F)(F)F ZINC001458351153 1067039638 /nfs/dbraw/zinc/03/96/38/1067039638.db2.gz SUWMILFMEBWMFK-KZULUSFZSA-N 0 0 457.290 4.647 20 0 JJADRN COc1cc(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc(Br)c1OC ZINC001449972282 1067039672 /nfs/dbraw/zinc/03/96/72/1067039672.db2.gz QUNDATRMYSUUML-JTQLQIEISA-N 0 0 452.736 4.829 20 0 JJADRN C[C@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1C(F)(F)F ZINC001458351161 1067039688 /nfs/dbraw/zinc/03/96/88/1067039688.db2.gz SUWMILFMEBWMFK-XIKOKIGWSA-N 0 0 457.290 4.647 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC001458351285 1067040006 /nfs/dbraw/zinc/04/00/06/1067040006.db2.gz ULAOYSPCLGJOFA-ORAYPTAESA-N 0 0 451.420 4.545 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001449989359 1067040207 /nfs/dbraw/zinc/04/02/07/1067040207.db2.gz YZGNEARXFHZVJL-CQSZACIVSA-N 0 0 454.987 4.682 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3nc(CC(C)(C)C)cs3)cc2)cc1 ZINC001458353710 1067040481 /nfs/dbraw/zinc/04/04/81/1067040481.db2.gz HXQNHXJSZZRILQ-UHFFFAOYSA-N 0 0 451.592 4.852 20 0 JJADRN C[C@@H](CCCCO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C ZINC001450000787 1067040759 /nfs/dbraw/zinc/04/07/59/1067040759.db2.gz IEXOGCPPEKEOSV-MHECFPHRSA-N 0 0 452.595 4.607 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545759054 1067040928 /nfs/dbraw/zinc/04/09/28/1067040928.db2.gz QVIHZTYYRUHQNE-FQEVSTJZSA-N 0 0 472.058 4.888 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545759157 1067041132 /nfs/dbraw/zinc/04/11/32/1067041132.db2.gz SOQQKNTZLIVVNF-KNAFXUBQSA-N 0 0 481.685 4.718 20 0 JJADRN C[C@@H]1CN(c2ccc(Nc3ncnc4c3c(Br)nn4C(C)(C)C)cc2)C[C@H](C)O1 ZINC001458357503 1067041251 /nfs/dbraw/zinc/04/12/51/1067041251.db2.gz XDBGJWKTZWKDLK-OKILXGFUSA-N 0 0 459.392 4.701 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cccc(F)c1I ZINC001458356104 1067041433 /nfs/dbraw/zinc/04/14/33/1067041433.db2.gz JMKHLCZATJJXOY-AWEZNQCLSA-N 0 0 451.201 4.724 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)[C@@H]3N(C(=O)OCc4ccccc4)CC3(C)C)C2)cc1 ZINC001450011542 1067041859 /nfs/dbraw/zinc/04/18/59/1067041859.db2.gz OSLWEKHAKBIYAJ-VWNXMTODSA-N 0 0 450.579 4.524 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450025583 1067042358 /nfs/dbraw/zinc/04/23/58/1067042358.db2.gz HVTWTHOKDWMGAM-INIZCTEOSA-N 0 0 450.682 4.904 20 0 JJADRN OC1(c2ccccc2C(F)(F)F)CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC001458361530 1067042272 /nfs/dbraw/zinc/04/22/72/1067042272.db2.gz DLAJQROUQIHCSG-UHFFFAOYSA-N 0 0 452.274 4.899 20 0 JJADRN CCC[C@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c21)[C@H](O)c1ccccc1 ZINC001458362040 1067042402 /nfs/dbraw/zinc/04/24/02/1067042402.db2.gz CUHBFKORCYHZNA-FXAWDEMLSA-N 0 0 456.612 4.552 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C(C)(C)C)CC2)c(C)c1 ZINC001458363465 1067042521 /nfs/dbraw/zinc/04/25/21/1067042521.db2.gz FYFUYLOWMZNEES-UHFFFAOYSA-N 0 0 456.652 4.840 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C(F)F ZINC001450027607 1067042660 /nfs/dbraw/zinc/04/26/60/1067042660.db2.gz LBPMNXJVFRYRPR-AWEZNQCLSA-N 0 0 454.436 4.528 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450027612 1067042674 /nfs/dbraw/zinc/04/26/74/1067042674.db2.gz KHIBBQPCKXGINU-HNNXBMFYSA-N 0 0 457.905 4.574 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC001450027656 1067042706 /nfs/dbraw/zinc/04/27/06/1067042706.db2.gz KNWDREMOVLXSBF-LJQANCHMSA-N 0 0 452.473 4.835 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](CCO)c3cccc(C(F)(F)F)c3)cc12 ZINC001450026068 1067042722 /nfs/dbraw/zinc/04/27/22/1067042722.db2.gz IXHHZQPZNSPMFA-OAQYLSRUSA-N 0 0 454.452 4.601 20 0 JJADRN O=C1CN(c2nc(-c3ccccc3C(F)(F)F)nc3ccccc32)CCN1CC(F)(F)F ZINC001458366109 1067042822 /nfs/dbraw/zinc/04/28/22/1067042822.db2.gz GEKNJCPDDJLUDL-UHFFFAOYSA-N 0 0 454.374 4.527 20 0 JJADRN CC1(C)CC(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC(C)(C)C1 ZINC001458366951 1067043026 /nfs/dbraw/zinc/04/30/26/1067043026.db2.gz WHGVVMRVXNIIKF-UHFFFAOYSA-N 0 0 454.636 4.768 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759554 1067043046 /nfs/dbraw/zinc/04/30/46/1067043046.db2.gz ZLRFRNBJWWFPIH-FCHUYYIVSA-N 0 0 471.715 4.902 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545760441 1067043061 /nfs/dbraw/zinc/04/30/61/1067043061.db2.gz CVTLCKPVOCPZIF-GJZUVCINSA-N 0 0 450.631 4.552 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450027883 1067043053 /nfs/dbraw/zinc/04/30/53/1067043053.db2.gz LLYVJNAMIDHNNY-INIZCTEOSA-N 0 0 450.682 4.904 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1cc(Cl)c(Br)cc1F)C(F)F ZINC001450028908 1067043084 /nfs/dbraw/zinc/04/30/84/1067043084.db2.gz MGNVDBUAJLSXDA-GFCCVEGCSA-N 0 0 459.690 4.520 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)C(C)(C)COCc3ccccc3)cc2C1 ZINC001458367618 1067043190 /nfs/dbraw/zinc/04/31/90/1067043190.db2.gz IVBFDFKZPMMZMA-HXUWFJFHSA-N 0 0 453.583 4.645 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450040052 1067043594 /nfs/dbraw/zinc/04/35/94/1067043594.db2.gz YYTLMRJFCOHGFD-CQSZACIVSA-N 0 0 451.670 4.557 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)F ZINC001450039266 1067043704 /nfs/dbraw/zinc/04/37/04/1067043704.db2.gz YPXJPAPUOVHRFT-CQSZACIVSA-N 0 0 454.411 4.541 20 0 JJADRN CC(C)Cc1ncnc(N2CCC(c3ccc(F)c(F)c3)CC2)c1I ZINC001458368587 1067043894 /nfs/dbraw/zinc/04/38/94/1067043894.db2.gz GOTPMTJKPZIUCC-UHFFFAOYSA-N 0 0 457.306 4.942 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545760731 1067043863 /nfs/dbraw/zinc/04/38/63/1067043863.db2.gz HVSHEPLXILJTNW-MSOLQXFVSA-N 0 0 465.545 4.709 20 0 JJADRN CCOC(=O)CN1c2ccc(NC(=O)c3cc4ccc(C(C)C)cc4[nH]3)cc2C(F)(F)C1=O 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1067044835 /nfs/dbraw/zinc/04/48/35/1067044835.db2.gz QUYUQFRKHAPBRO-CTNGQTDRSA-N 0 0 473.543 4.960 20 0 JJADRN CC[C@H](C)[NH2+][C@@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372605 1067045012 /nfs/dbraw/zinc/04/50/12/1067045012.db2.gz QDDCVCKWYTZCBG-KSSFIOAISA-N 0 0 455.360 4.712 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001450054564 1067045063 /nfs/dbraw/zinc/04/50/63/1067045063.db2.gz IUQJRZVHOLCQJC-CHWSQXEVSA-N 0 0 453.555 4.784 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC(C)C)NC(=O)OC(C)(C)C ZINC001546019118 1067045081 /nfs/dbraw/zinc/04/50/81/1067045081.db2.gz OPKCAXUZYZAVGJ-XUVXKRRUSA-N 0 0 465.683 4.982 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1nnc(C)s1)c1ccccc1 ZINC001545761453 1067045143 /nfs/dbraw/zinc/04/51/43/1067045143.db2.gz RQIQUPWRFSKFIP-CYFREDJKSA-N 0 0 454.644 4.670 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCSCC(F)(F)F)c1ccccc1 ZINC001545761558 1067045161 /nfs/dbraw/zinc/04/51/61/1067045161.db2.gz TZKWUGQJCTYREV-HOTGVXAUSA-N 0 0 482.494 4.883 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCSCC(F)(F)F)c1ccccc1 ZINC001545761560 1067045267 /nfs/dbraw/zinc/04/52/67/1067045267.db2.gz TZKWUGQJCTYREV-JKSUJKDBSA-N 0 0 482.494 4.883 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545761498 1067045283 /nfs/dbraw/zinc/04/52/83/1067045283.db2.gz SEWLZZMRCSKHEU-UGTOYMOASA-N 0 0 466.548 4.935 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N2CCCCc3cc(Br)ccc32)CO1 ZINC001458373852 1067045271 /nfs/dbraw/zinc/04/52/71/1067045271.db2.gz BOBYRZAJUSOXTN-SJLPKXTDSA-N 0 0 452.389 4.645 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cccc(C)c3)n2CCCOC2CCCCC2)CCO1 ZINC001546099891 1067045331 /nfs/dbraw/zinc/04/53/31/1067045331.db2.gz PAGUGIOVJRQHNQ-SANMLTNESA-N 0 0 456.631 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC001458375172 1067045360 /nfs/dbraw/zinc/04/53/60/1067045360.db2.gz AIDHHNLCXJNTTR-GOSISDBHSA-N 0 0 458.571 4.545 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545761856 1067045578 /nfs/dbraw/zinc/04/55/78/1067045578.db2.gz YAWPCKFKCNQIFQ-UXHICEINSA-N 0 0 488.558 4.733 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545761858 1067045720 /nfs/dbraw/zinc/04/57/20/1067045720.db2.gz YAWPCKFKCNQIFQ-WOJBJXKFSA-N 0 0 488.558 4.733 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC(C)(C)C1)Oc1cccc(F)c1 ZINC001546019193 1067045974 /nfs/dbraw/zinc/04/59/74/1067045974.db2.gz PPBJYPAIBNPTQX-SQVLJLFZSA-N 0 0 474.621 4.871 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001450060576 1067046095 /nfs/dbraw/zinc/04/60/95/1067046095.db2.gz WRJIQKCETOAKGN-LSDHHAIUSA-N 0 0 457.600 4.772 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@](C)(CC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545762958 1067046152 /nfs/dbraw/zinc/04/61/52/1067046152.db2.gz AJIQSBLVGFPARA-YIXXDRMTSA-N 0 0 467.658 4.618 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545762980 1067046166 /nfs/dbraw/zinc/04/61/66/1067046166.db2.gz ASWHXLOIHUXRBH-NHCUHLMSSA-N 0 0 469.655 4.714 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(F)(F)F ZINC001458377990 1067046351 /nfs/dbraw/zinc/04/63/51/1067046351.db2.gz AFGUUURYWSEJSF-LJQANCHMSA-N 0 0 454.514 4.535 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1CCCCc2cc(Br)ccc21 ZINC001458378598 1067046411 /nfs/dbraw/zinc/04/64/11/1067046411.db2.gz ZXKBLYIZEQNDFJ-UHFFFAOYSA-N 0 0 459.384 4.727 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC001450064146 1067046412 /nfs/dbraw/zinc/04/64/12/1067046412.db2.gz WGNSPQPNSAMOPG-INIZCTEOSA-N 0 0 453.674 4.917 20 0 JJADRN Cc1ccc(OCCC(=O)NC2(Cc3cccc(F)c3)CCOCC2)c(Br)c1 ZINC001450063241 1067046425 /nfs/dbraw/zinc/04/64/25/1067046425.db2.gz KJIWWLGQCCENHC-UHFFFAOYSA-N 0 0 450.348 4.574 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCn1nc(C)cc1C)c1ccccc1 ZINC001545763158 1067046627 /nfs/dbraw/zinc/04/66/27/1067046627.db2.gz DEKYWTMFRWBXPB-GGAORHGYSA-N 0 0 450.631 4.727 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCCOC2)CCO1 ZINC001546099959 1067046645 /nfs/dbraw/zinc/04/66/45/1067046645.db2.gz QGNUSFLYLUCESN-CPJSRVTESA-N 0 0 477.049 4.683 20 0 JJADRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001458384852 1067047421 /nfs/dbraw/zinc/04/74/21/1067047421.db2.gz JWDWASZHCXINHG-ZUOKHONESA-N 0 0 454.876 4.992 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)nn1-c1ccccc1Cl ZINC001458385092 1067047540 /nfs/dbraw/zinc/04/75/40/1067047540.db2.gz QVTLYGJOTYCTGG-UHFFFAOYSA-N 0 0 454.983 4.801 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1)[C@@H]1C[C@@H]1C ZINC001450075181 1067047579 /nfs/dbraw/zinc/04/75/79/1067047579.db2.gz GGGVRTUECAEXNX-YEJXKQKISA-N 0 0 458.440 4.989 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001450075256 1067047626 /nfs/dbraw/zinc/04/76/26/1067047626.db2.gz GZIJNEYUINHNNI-QFBILLFUSA-N 0 0 453.753 4.600 20 0 JJADRN O=C(Nc1nc2cc(Br)cnc2[nH]1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001450080412 1067047893 /nfs/dbraw/zinc/04/78/93/1067047893.db2.gz UYXYROFAHVBBHG-UHFFFAOYSA-N 0 0 454.250 4.592 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc2)cc1 ZINC001458387876 1067048026 /nfs/dbraw/zinc/04/80/26/1067048026.db2.gz PVLMLZQWHQKMSP-FQEVSTJZSA-N 0 0 450.501 4.651 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC001545763846 1067048319 /nfs/dbraw/zinc/04/83/19/1067048319.db2.gz NQSBDFOONOIOCL-KSEOMHKRSA-N 0 0 462.585 4.886 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001450080836 1067048384 /nfs/dbraw/zinc/04/83/84/1067048384.db2.gz RYLYJMXDTLOLRP-LJQANCHMSA-N 0 0 451.741 4.500 20 0 JJADRN O=C(Nc1cccc(C(=O)NC[C@H]2CCc3ccccc3C2)c1)c1ccc(Br)o1 ZINC001458388143 1067048444 /nfs/dbraw/zinc/04/84/44/1067048444.db2.gz XSNWYLPXVIXJMF-HNNXBMFYSA-N 0 0 453.336 4.829 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545764040 1067048541 /nfs/dbraw/zinc/04/85/41/1067048541.db2.gz PQFFCRLEYFEXHP-QZNHQXDQSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)C2)n1Cc1cc(COC(C)(C)C)on1)c1ccccc1 ZINC001545764201 1067048703 /nfs/dbraw/zinc/04/87/03/1067048703.db2.gz RQMYBXJKBUZWRK-JOCHJYFZSA-N 0 0 467.614 4.787 20 0 JJADRN CC1(C)C(=O)N[C@H]1C1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001450080926 1067048618 /nfs/dbraw/zinc/04/86/18/1067048618.db2.gz MPNGOKMTSGOOLG-DYEBDLIZSA-N 0 0 454.517 4.592 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC001458393030 1067049431 /nfs/dbraw/zinc/04/94/31/1067049431.db2.gz NMIIFXKOCIWCRB-YADHBBJMSA-N 0 0 458.549 4.907 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(C)c(Cl)c1 ZINC001545765173 1067049615 /nfs/dbraw/zinc/04/96/15/1067049615.db2.gz SQTPGNXGYMHSEX-UHFFFAOYSA-N 0 0 452.020 4.682 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 ZINC001545765236 1067049663 /nfs/dbraw/zinc/04/96/63/1067049663.db2.gz VMQOFNYMZCJWOE-UHFFFAOYSA-N 0 0 451.483 4.559 20 0 JJADRN CCOC(=O)c1oc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)nc1C(F)(F)F ZINC001458393872 1067049994 /nfs/dbraw/zinc/04/99/94/1067049994.db2.gz OCXDEEJZSCALHH-ZWNOBZJWSA-N 0 0 452.351 4.855 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001458394632 1067050377 /nfs/dbraw/zinc/05/03/77/1067050377.db2.gz MSQSVQXJUFXJSK-LJQANCHMSA-N 0 0 455.396 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC001450114750 1067050634 /nfs/dbraw/zinc/05/06/34/1067050634.db2.gz GVSYINYYBAKSAY-KRWDZBQOSA-N 0 0 457.880 4.679 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 ZINC001458396696 1067051146 /nfs/dbraw/zinc/05/11/46/1067051146.db2.gz SZCPPJPOLZLAGW-NLFFAJNJSA-N 0 0 458.558 4.756 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)cnc21 ZINC001458397279 1067051416 /nfs/dbraw/zinc/05/14/16/1067051416.db2.gz FWYWLEGPXKMNNH-UHFFFAOYSA-N 0 0 455.227 4.732 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545766395 1067051503 /nfs/dbraw/zinc/05/15/03/1067051503.db2.gz RNSCQQKCTCEEHR-PRTQVNTJSA-N 0 0 485.673 4.673 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@H]2C)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545766572 1067052045 /nfs/dbraw/zinc/05/20/45/1067052045.db2.gz VOLZUXISUFKUQY-UYAOXDASSA-N 0 0 459.660 4.677 20 0 JJADRN CC[C@@H](c1nnc(N2CCS[C@H](C(C)C)C2)n1CCCN1CCCCC1=O)c1ccccc1 ZINC001545766403 1067052165 /nfs/dbraw/zinc/05/21/65/1067052165.db2.gz ROVYLFZIHRKOMX-PKTZIBPZSA-N 0 0 469.699 4.800 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545766476 1067052196 /nfs/dbraw/zinc/05/21/96/1067052196.db2.gz SLBRGYIKDMORNP-XMTFNYHQSA-N 0 0 469.374 4.526 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC3(CCOCC3)C2)n1CCCOC(C)C)c1ccccc1 ZINC001545766745 1067052533 /nfs/dbraw/zinc/05/25/33/1067052533.db2.gz ZDGXDTGYRYSMJZ-JOCHJYFZSA-N 0 0 458.672 4.738 20 0 JJADRN CCOC(=O)c1c(F)cccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001458400085 1067052819 /nfs/dbraw/zinc/05/28/19/1067052819.db2.gz USRQASVSCRPFAC-UHFFFAOYSA-N 0 0 454.458 4.703 20 0 JJADRN CCC(CC)[C@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)CCO1 ZINC001458401154 1067052839 /nfs/dbraw/zinc/05/28/39/1067052839.db2.gz ZFMVKUNAKXTWBJ-BXUZGUMPSA-N 0 0 453.723 4.797 20 0 JJADRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)CCO1 ZINC001458401160 1067052866 /nfs/dbraw/zinc/05/28/66/1067052866.db2.gz ZFMVKUNAKXTWBJ-RISCZKNCSA-N 0 0 453.723 4.797 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001450138908 1067052859 /nfs/dbraw/zinc/05/28/59/1067052859.db2.gz HSIZNSUXCGEYPY-BLLLJJGKSA-N 0 0 457.374 4.974 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC001450139178 1067052873 /nfs/dbraw/zinc/05/28/73/1067052873.db2.gz ICBVXLRZXCGEAY-KDOFPFPSSA-N 0 0 452.439 4.658 20 0 JJADRN COc1cccc(-c2nc3ccccc3c(NC[C@@](C)(O)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC001458402842 1067053226 /nfs/dbraw/zinc/05/32/26/1067053226.db2.gz BUZJXYVXCVKQPF-MHZLTWQESA-N 0 0 459.546 4.728 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545767899 1067053326 /nfs/dbraw/zinc/05/33/26/1067053326.db2.gz JAMFABLWZGQVAC-HCSYDALLSA-N 0 0 497.684 4.937 20 0 JJADRN CC[C@H](c1nnc(Nc2cnn(C)c2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545767814 1067053499 /nfs/dbraw/zinc/05/34/99/1067053499.db2.gz HEITXOJDXIBORT-IBGZPJMESA-N 0 0 453.591 4.600 20 0 JJADRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001458405806 1067053488 /nfs/dbraw/zinc/05/34/88/1067053488.db2.gz MQPYBOAPVYSRJR-SFHVURJKSA-N 0 0 456.342 4.611 20 0 JJADRN CCc1nc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)nn1-c1ccccc1F ZINC001458405459 1067053755 /nfs/dbraw/zinc/05/37/55/1067053755.db2.gz LZOLXQZVZBHQAE-INIZCTEOSA-N 0 0 458.362 4.604 20 0 JJADRN O=C(NC[C@@H]1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1)C(F)(F)F ZINC001458407399 1067054022 /nfs/dbraw/zinc/05/40/22/1067054022.db2.gz UPURQRHFYAGDGC-LBPRGKRZSA-N 0 0 454.905 4.907 20 0 JJADRN CCn1c2ccccc2nc1SCC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC001450152746 1067054426 /nfs/dbraw/zinc/05/44/26/1067054426.db2.gz SHXXJAQHMJBRFT-UHFFFAOYSA-N 0 0 456.369 4.735 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001458408270 1067054334 /nfs/dbraw/zinc/05/43/34/1067054334.db2.gz IFBTWBPNGKMZLP-JNNLJUPQSA-N 0 0 456.945 4.904 20 0 JJADRN C[C@@H]1CN(c2cc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc(Oc3ccccc3)n2)[C@H]1C ZINC001458408814 1067054452 /nfs/dbraw/zinc/05/44/52/1067054452.db2.gz PURUHFOSYCPYRD-CEXWTWQISA-N 0 0 453.587 4.607 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001458408291 1067054466 /nfs/dbraw/zinc/05/44/66/1067054466.db2.gz IFBTWBPNGKMZLP-RXYACCJXSA-N 0 0 456.945 4.904 20 0 JJADRN CC1(C)C[C@@](C)(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)C(=O)O1 ZINC001450152077 1067054616 /nfs/dbraw/zinc/05/46/16/1067054616.db2.gz SLHUKZNGQVLKFB-JOCHJYFZSA-N 0 0 450.366 4.662 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545768579 1067054587 /nfs/dbraw/zinc/05/45/87/1067054587.db2.gz ZJZOOKWWCOKSMG-SVFBPWRDSA-N 0 0 482.641 4.762 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC001450154301 1067055018 /nfs/dbraw/zinc/05/50/18/1067055018.db2.gz UKCCKVPWNPOYNS-XOBRGWDASA-N 0 0 457.876 4.986 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@H]1c1ccc(OC)cc1 ZINC001545769306 1067054841 /nfs/dbraw/zinc/05/48/41/1067054841.db2.gz WGSXHKAYBQRMME-CJFMBICVSA-N 0 0 456.533 4.638 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001458408957 1067054896 /nfs/dbraw/zinc/05/48/96/1067054896.db2.gz YFBWMKISAAIBCF-UONOGXRCSA-N 0 0 453.370 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3csc(-c4ccccc4F)n3)cc2C1 ZINC001458410951 1067055502 /nfs/dbraw/zinc/05/55/02/1067055502.db2.gz QTJUOQMGNJXVLG-UHFFFAOYSA-N 0 0 454.527 4.890 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC001450157690 1067055481 /nfs/dbraw/zinc/05/54/81/1067055481.db2.gz NDZIDFHENRLGQW-HNNXBMFYSA-N 0 0 453.530 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2C1 ZINC001458413675 1067055780 /nfs/dbraw/zinc/05/57/80/1067055780.db2.gz VPCGETGDDCDXTR-UHFFFAOYSA-N 0 0 456.852 4.694 20 0 JJADRN CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC)c1ccc(C)c(F)c1 ZINC001458412593 1067055935 /nfs/dbraw/zinc/05/59/35/1067055935.db2.gz TYAOBEFRAMOGQW-UWJYYQICSA-N 0 0 456.587 4.960 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC001545770308 1067056154 /nfs/dbraw/zinc/05/61/54/1067056154.db2.gz CNYKLCWLVGTUDL-XMMPIXPASA-N 0 0 459.571 4.991 20 0 JJADRN NC(=O)c1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 ZINC001458416009 1067056336 /nfs/dbraw/zinc/05/63/36/1067056336.db2.gz IYEAYBYDKYPEDZ-UHFFFAOYSA-N 0 0 451.364 4.710 20 0 JJADRN COc1ccc(-c2nnc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)s2)cc1 ZINC001458419611 1067056636 /nfs/dbraw/zinc/05/66/36/1067056636.db2.gz DWMULVMVGGYACQ-UHFFFAOYSA-N 0 0 455.927 4.879 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001458418749 1067056747 /nfs/dbraw/zinc/05/67/47/1067056747.db2.gz LSKDWEJYIXGORI-QFIPXVFZSA-N 0 0 459.489 4.962 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1)SC ZINC001545770939 1067056756 /nfs/dbraw/zinc/05/67/56/1067056756.db2.gz AISHTGYDBVSHFK-UHFFFAOYSA-N 0 0 450.722 4.585 20 0 JJADRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001450173294 1067057363 /nfs/dbraw/zinc/05/73/63/1067057363.db2.gz LEOFSNMHINBPLF-FQEVSTJZSA-N 0 0 452.617 4.671 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)NC(C)(C)C(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001450170660 1067057378 /nfs/dbraw/zinc/05/73/78/1067057378.db2.gz JSKBCHYZWADWRU-FQEVSTJZSA-N 0 0 454.567 4.819 20 0 JJADRN COc1cc(I)ccc1NC(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001450171941 1067057390 /nfs/dbraw/zinc/05/73/90/1067057390.db2.gz IBKXHXZYAAARLW-UHFFFAOYSA-N 0 0 454.289 4.506 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)OC ZINC001545771173 1067057424 /nfs/dbraw/zinc/05/74/24/1067057424.db2.gz HRSHHGHDFKMLNA-WMQCIHAUSA-N 0 0 490.048 4.524 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)SC ZINC001545771243 1067057584 /nfs/dbraw/zinc/05/75/84/1067057584.db2.gz JQPRLKXYQGCJPN-DLBZAZTESA-N 0 0 495.443 4.744 20 0 JJADRN COc1ccc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)c(I)c1 ZINC001458424236 1067057467 /nfs/dbraw/zinc/05/74/67/1067057467.db2.gz AVMIMRYLDDLXKV-UHFFFAOYSA-N 0 0 457.258 4.777 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC[C@@H](c4ccccn4)C3)cc2Br)on1 ZINC001450180786 1067057728 /nfs/dbraw/zinc/05/77/28/1067057728.db2.gz KBPRKWNNSQEIQD-QGZVFWFLSA-N 0 0 456.340 4.739 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@@H](c3ccccn3)C2)cs1 ZINC001450183023 1067057956 /nfs/dbraw/zinc/05/79/56/1067057956.db2.gz PJDSSGWNGARUSR-CQSZACIVSA-N 0 0 458.381 4.996 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC ZINC001545771317 1067057836 /nfs/dbraw/zinc/05/78/36/1067057836.db2.gz LUFMJSAQOOANPA-MRXNPFEDSA-N 0 0 491.352 4.680 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CNC(=O)C2)CC1)SC ZINC001545771303 1067057855 /nfs/dbraw/zinc/05/78/55/1067057855.db2.gz LHAYYMAUDTWTSV-GOSISDBHSA-N 0 0 489.661 4.586 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC001458425262 1067057884 /nfs/dbraw/zinc/05/78/84/1067057884.db2.gz JJPTYDPTTSKSRS-UHFFFAOYSA-N 0 0 455.549 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2c2cc(Cl)nc([C@@H]3CCCO3)n2)C1 ZINC001458426052 1067058020 /nfs/dbraw/zinc/05/80/20/1067058020.db2.gz HAQAENXRPPQQAM-BZSNNMDCSA-N 0 0 451.011 4.988 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545771309 1067058066 /nfs/dbraw/zinc/05/80/66/1067058066.db2.gz LNNIDAZDMPPJLN-HXUWFJFHSA-N 0 0 479.572 4.526 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(-c3ccc(F)cc3Cl)n1)CC2 ZINC001450190091 1067058334 /nfs/dbraw/zinc/05/83/34/1067058334.db2.gz BIFOAKBKKOWDMM-UHFFFAOYSA-N 0 0 455.917 4.555 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)c2=O)cc1 ZINC001458429128 1067058372 /nfs/dbraw/zinc/05/83/72/1067058372.db2.gz FGEGIAVNVTWQLM-UHFFFAOYSA-N 0 0 452.436 4.662 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)c2cc(I)ccc2C)c1 ZINC001458430068 1067058510 /nfs/dbraw/zinc/05/85/10/1067058510.db2.gz WXGHLHKTLNQFAU-UHFFFAOYSA-N 0 0 455.317 4.507 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCC2)C1)SC ZINC001545771368 1067058448 /nfs/dbraw/zinc/05/84/48/1067058448.db2.gz NGAKQFWIEVUGIV-UHFFFAOYSA-N 0 0 482.492 4.727 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1)SC ZINC001545771352 1067058489 /nfs/dbraw/zinc/05/84/89/1067058489.db2.gz MVWQQELLNRFGLX-LJQANCHMSA-N 0 0 483.686 4.877 20 0 JJADRN O=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CC(CN2CCOCC2)C1 ZINC001450194579 1067058782 /nfs/dbraw/zinc/05/87/82/1067058782.db2.gz NKEGWWJSFGWBSE-UHFFFAOYSA-N 0 0 451.419 4.690 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@H]1C)SC ZINC001545771544 1067058814 /nfs/dbraw/zinc/05/88/14/1067058814.db2.gz SAMJNHYQBINKDJ-QUCCMNQESA-N 0 0 473.687 4.624 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)c2=O)cc1 ZINC001458431900 1067058825 /nfs/dbraw/zinc/05/88/25/1067058825.db2.gz QBFRJACJNAYKMY-UHFFFAOYSA-N 0 0 453.329 4.950 20 0 JJADRN CSc1nc(C(F)F)cc(N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001458432143 1067059045 /nfs/dbraw/zinc/05/90/45/1067059045.db2.gz UGKRFACZCPPDRT-XJKSGUPXSA-N 0 0 454.518 4.772 20 0 JJADRN COC(=O)c1cnc(N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001458433786 1067059285 /nfs/dbraw/zinc/05/92/85/1067059285.db2.gz UGUTZLGPPGHIMT-PKOBYXMFSA-N 0 0 463.937 4.548 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1)c1ccccc1 ZINC001458435212 1067059370 /nfs/dbraw/zinc/05/93/70/1067059370.db2.gz XIKIQMAJGRCKSQ-IBGZPJMESA-N 0 0 451.929 4.764 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](OC)C1)SC ZINC001545771643 1067059426 /nfs/dbraw/zinc/05/94/26/1067059426.db2.gz VWMGRBBJPHTNKF-MRXNPFEDSA-N 0 0 470.481 4.583 20 0 JJADRN Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001450199690 1067059362 /nfs/dbraw/zinc/05/93/62/1067059362.db2.gz GLOGUNRRDBTYTF-UHFFFAOYSA-N 0 0 459.955 4.730 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)c3cc(Cl)cc(F)c3Br)CC2)cc1 ZINC001450201180 1067059850 /nfs/dbraw/zinc/05/98/50/1067059850.db2.gz UBTIRWWSXJROAI-IBGZPJMESA-N 0 0 456.739 4.836 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1)OC ZINC001545771705 1067059940 /nfs/dbraw/zinc/05/99/40/1067059940.db2.gz XOKCVVSQHXSANQ-KNQAVFIVSA-N 0 0 498.628 4.509 20 0 JJADRN CCOC(=O)c1cnc(C)c(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC001458437287 1067059866 /nfs/dbraw/zinc/05/98/66/1067059866.db2.gz ALFLXWUKKFVITM-UHFFFAOYSA-N 0 0 452.511 4.726 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3cc(F)c(Br)c(F)c3)n2)cc1 ZINC001458438333 1067060260 /nfs/dbraw/zinc/06/02/60/1067060260.db2.gz JTCRECFXKBTEEI-UHFFFAOYSA-N 0 0 452.255 4.747 20 0 JJADRN Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001450212774 1067060240 /nfs/dbraw/zinc/06/02/40/1067060240.db2.gz JVONBRVHMLSKNH-DUXKGJEZSA-N 0 0 455.555 4.783 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)SC ZINC001545772487 1067060679 /nfs/dbraw/zinc/06/06/79/1067060679.db2.gz BQAZOGCZGORQFY-XHNVNVPESA-N 0 0 474.671 4.648 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Nc2cccnn2)CC1)SC ZINC001545772516 1067060737 /nfs/dbraw/zinc/06/07/37/1067060737.db2.gz CKAMJCSCCJFEON-UHFFFAOYSA-N 0 0 481.670 4.746 20 0 JJADRN CCC(O)(CC)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001546020626 1067060897 /nfs/dbraw/zinc/06/08/97/1067060897.db2.gz LOSICNSDGNDTBF-UHFFFAOYSA-N 0 0 483.657 4.628 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(C1)CCCCC2)OC ZINC001545772643 1067061053 /nfs/dbraw/zinc/06/10/53/1067061053.db2.gz HCLDMHVSAZLSPF-UHFFFAOYSA-N 0 0 474.671 4.714 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545772581 1067061084 /nfs/dbraw/zinc/06/10/84/1067061084.db2.gz DTVCXAFBCHJHAB-OKILXGFUSA-N 0 0 457.438 4.588 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(CC)C1)Oc1ccccc1F ZINC001546020875 1067061208 /nfs/dbraw/zinc/06/12/08/1067061208.db2.gz RSTJZMDUSPTDBL-LSYVANFTSA-N 0 0 460.594 4.625 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H]1C)SC ZINC001545772754 1067061752 /nfs/dbraw/zinc/06/17/52/1067061752.db2.gz LDWFTCZESPPMLF-OAHLLOKOSA-N 0 0 453.450 4.855 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001458443601 1067061835 /nfs/dbraw/zinc/06/18/35/1067061835.db2.gz UZPVWYWQZMZCEH-HNNXBMFYSA-N 0 0 455.671 4.644 20 0 JJADRN CN(C)[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1c(F)cccc1Cl ZINC001450232272 1067062014 /nfs/dbraw/zinc/06/20/14/1067062014.db2.gz BFGBOZTZSMSLGM-KXBFYZLASA-N 0 0 453.986 4.520 20 0 JJADRN Cc1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1Br ZINC001450235773 1067062291 /nfs/dbraw/zinc/06/22/91/1067062291.db2.gz IOOXWEOMGFKCRN-CQSZACIVSA-N 0 0 455.368 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC12CCC2 ZINC001450236786 1067062307 /nfs/dbraw/zinc/06/23/07/1067062307.db2.gz JYHNKWHOLPYVLK-GOSISDBHSA-N 0 0 459.587 4.930 20 0 JJADRN Cn1cc([C@@H]2CN(C(=O)c3ccc(COc4cccc(Br)c4)o3)CC2(C)C)cn1 ZINC001450236633 1067062560 /nfs/dbraw/zinc/06/25/60/1067062560.db2.gz LASCQHRZSGKHOD-IBGZPJMESA-N 0 0 458.356 4.620 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)CC1)SC ZINC001545772918 1067062587 /nfs/dbraw/zinc/06/25/87/1067062587.db2.gz QOXIEOKMRCCBFX-QGZVFWFLSA-N 0 0 475.728 4.722 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(Br)c1 ZINC001450237346 1067062777 /nfs/dbraw/zinc/06/27/77/1067062777.db2.gz KZZQMWMXONECAH-QGZVFWFLSA-N 0 0 451.405 4.738 20 0 JJADRN CN(C)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc(C(F)(F)F)c1 ZINC001450242635 1067063493 /nfs/dbraw/zinc/06/34/93/1067063493.db2.gz WBULEPSFXRWGSB-KRWDZBQOSA-N 0 0 455.521 4.823 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1)SC ZINC001545773165 1067063751 /nfs/dbraw/zinc/06/37/51/1067063751.db2.gz ZHGJAQJTLUDECI-UHFFFAOYSA-N 0 0 477.476 4.962 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC001450247989 1067063775 /nfs/dbraw/zinc/06/37/75/1067063775.db2.gz KLLXMOHEVSLSNM-VWLOTQADSA-N 0 0 450.579 4.577 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1)SC ZINC001545773176 1067063906 /nfs/dbraw/zinc/06/39/06/1067063906.db2.gz ZSSFTKALXHLTSB-UHFFFAOYSA-N 0 0 485.698 4.714 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](SC)C1)SC ZINC001545773983 1067064263 /nfs/dbraw/zinc/06/42/63/1067064263.db2.gz ACIORIQKTWLTHN-HXUWFJFHSA-N 0 0 486.715 4.565 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450249090 1067064420 /nfs/dbraw/zinc/06/44/20/1067064420.db2.gz GIURITHBFIUPLB-WOZUAGRISA-N 0 0 464.647 4.630 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)c1 ZINC001450256205 1067064706 /nfs/dbraw/zinc/06/47/06/1067064706.db2.gz LWGYIHRLPHCIAC-QGZVFWFLSA-N 0 0 458.514 4.926 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C)SC ZINC001545774087 1067064823 /nfs/dbraw/zinc/06/48/23/1067064823.db2.gz CWZHVTXBSZFYEV-QGZVFWFLSA-N 0 0 462.660 4.888 20 0 JJADRN CC(=O)c1cc(F)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(F)c1 ZINC001458451335 1067065686 /nfs/dbraw/zinc/06/56/86/1067065686.db2.gz VLYBBYKDTRJUIF-ZDUSSCGKSA-N 0 0 455.288 4.965 20 0 JJADRN CCC(CC)[C@@H](C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)N1CCOCC1 ZINC001450259724 1067065795 /nfs/dbraw/zinc/06/57/95/1067065795.db2.gz QXYYLTIGQLTWTH-QHCPKHFHSA-N 0 0 455.002 4.814 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001450261001 1067065832 /nfs/dbraw/zinc/06/58/32/1067065832.db2.gz BAPPBWIFOGBFJW-UONOGXRCSA-N 0 0 455.755 4.746 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1)SC ZINC001545774260 1067065661 /nfs/dbraw/zinc/06/56/61/1067065661.db2.gz JHBPMGSMTAWHRJ-UHFFFAOYSA-N 0 0 499.656 4.799 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1Oc1ccncc1 ZINC001458451323 1067065938 /nfs/dbraw/zinc/06/59/38/1067065938.db2.gz GSWMWMKQDZJEPL-ZEQRLZLVSA-N 0 0 451.954 4.637 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545774329 1067066017 /nfs/dbraw/zinc/06/60/17/1067066017.db2.gz LNIVIXJMYWIWCO-IBGZPJMESA-N 0 0 478.037 4.907 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC)SC ZINC001545774327 1067066178 /nfs/dbraw/zinc/06/61/78/1067066178.db2.gz LISUOPZEFWRDFS-UHFFFAOYSA-N 0 0 459.429 4.851 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1 ZINC001450263299 1067066115 /nfs/dbraw/zinc/06/61/15/1067066115.db2.gz ZKYYZTUYKVVXNW-IBGZPJMESA-N 0 0 452.576 4.903 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OC)C1)OC ZINC001545774421 1067067009 /nfs/dbraw/zinc/06/70/09/1067067009.db2.gz OYTVCWLXDKGRLA-SFHVURJKSA-N 0 0 465.436 4.836 20 0 JJADRN C[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)c1ccc(C(F)(F)F)nc1Cl ZINC001450269705 1067066880 /nfs/dbraw/zinc/06/68/80/1067066880.db2.gz IEJNHYXFFGSHSI-MRVPVSSYSA-N 0 0 453.690 4.959 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545774413 1067067035 /nfs/dbraw/zinc/06/70/35/1067067035.db2.gz OSXMOJSZWUUJKL-KRWDZBQOSA-N 0 0 493.052 4.550 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 ZINC001458454912 1067067466 /nfs/dbraw/zinc/06/74/66/1067067466.db2.gz LJURFMZIHZFPJT-MRXNPFEDSA-N 0 0 456.384 4.903 20 0 JJADRN COc1ccc2c(CC(=O)NC[C@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)coc2c1 ZINC001450272130 1067067382 /nfs/dbraw/zinc/06/73/82/1067067382.db2.gz FCWLJPPOGCRFJZ-FQEVSTJZSA-N 0 0 452.551 4.578 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3CC[C@@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)c(C)c2c1 ZINC001450271874 1067067555 /nfs/dbraw/zinc/06/75/55/1067067555.db2.gz GZUNRFFKYRQDMK-PZJWPPBQSA-N 0 0 454.567 4.734 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457565 1067067852 /nfs/dbraw/zinc/06/78/52/1067067852.db2.gz WLWOTACSMLGOEF-ZWKOTPCHSA-N 0 0 458.183 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)SC ZINC001545774583 1067067728 /nfs/dbraw/zinc/06/77/28/1067067728.db2.gz ULPMHLINUNQNOD-SFHVURJKSA-N 0 0 458.632 4.919 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1)SC ZINC001545774654 1067067783 /nfs/dbraw/zinc/06/77/83/1067067783.db2.gz XBIKZKSYOXFFML-UHFFFAOYSA-N 0 0 487.073 4.911 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCCO)CC1)NC(=O)OC(C)(C)C ZINC001545774624 1067067898 /nfs/dbraw/zinc/06/78/98/1067067898.db2.gz VYTDNUWSVJKEOY-UHFFFAOYSA-N 0 0 489.661 4.919 20 0 JJADRN COC(=O)c1csc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1C ZINC001458460534 1067068273 /nfs/dbraw/zinc/06/82/73/1067068273.db2.gz GAEFHAJCXBUIKB-UHFFFAOYSA-N 0 0 457.396 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)CC[C@@H]21 ZINC001450280631 1067068613 /nfs/dbraw/zinc/06/86/13/1067068613.db2.gz PFVUFNSYARBACQ-DYVFJYSZSA-N 0 0 453.461 4.538 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(C(F)(F)F)CC1)OC ZINC001545775639 1067069023 /nfs/dbraw/zinc/06/90/23/1067069023.db2.gz FXGVAPBRFBWLJR-UHFFFAOYSA-N 0 0 468.520 4.866 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC001458466500 1067069193 /nfs/dbraw/zinc/06/91/93/1067069193.db2.gz ITXZEGQSHHGSKM-HSZRJFAPSA-N 0 0 451.636 4.636 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC001450292999 1067069753 /nfs/dbraw/zinc/06/97/53/1067069753.db2.gz RDBNAFNYAHRHMM-FAGXIADKSA-N 0 0 455.570 4.660 20 0 JJADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001546021490 1067070016 /nfs/dbraw/zinc/07/00/16/1067070016.db2.gz IHJMOAJULHNNJL-PGRDOPGGSA-N 0 0 458.484 4.795 20 0 JJADRN COc1cc(Br)cc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001458468999 1067070125 /nfs/dbraw/zinc/07/01/25/1067070125.db2.gz FVFTZEBYGJYQAI-UHFFFAOYSA-N 0 0 453.377 4.824 20 0 JJADRN CNC(=O)[C@@H](CNc1nc2cc(Br)ccc2o1)Cc1ccc(C(F)(F)F)cc1 ZINC001458468821 1067070146 /nfs/dbraw/zinc/07/01/46/1067070146.db2.gz VAWGHWMKQTYPSI-GFCCVEGCSA-N 0 0 456.262 4.626 20 0 JJADRN CN(C)c1ccc(CCC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001458469956 1067070182 /nfs/dbraw/zinc/07/01/82/1067070182.db2.gz KSSNKZNQYPWUHP-UHFFFAOYSA-N 0 0 459.306 4.662 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299672 1067070200 /nfs/dbraw/zinc/07/02/00/1067070200.db2.gz SNAJUHKFRMJRPN-HSZRJFAPSA-N 0 0 457.018 4.806 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)SC ZINC001545776049 1067070266 /nfs/dbraw/zinc/07/02/66/1067070266.db2.gz UKZKWLKTOWSFEU-UHFFFAOYSA-N 0 0 476.712 4.805 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545775978 1067070515 /nfs/dbraw/zinc/07/05/15/1067070515.db2.gz RDUOHFQPPCORQN-LJQANCHMSA-N 0 0 487.645 4.510 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C(F)(F)F)CC1)OC ZINC001545776114 1067070719 /nfs/dbraw/zinc/07/07/19/1067070719.db2.gz WJPXIRIDDGKURK-UHFFFAOYSA-N 0 0 452.477 4.578 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)OC[C@@H]1C)SC ZINC001545776145 1067070841 /nfs/dbraw/zinc/07/08/41/1067070841.db2.gz XHTICTYAHLEKHE-KRWDZBQOSA-N 0 0 462.660 4.888 20 0 JJADRN Cn1cc([C@@H]2C[C@@H](NC(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)cn1 ZINC001450311300 1067070972 /nfs/dbraw/zinc/07/09/72/1067070972.db2.gz QCILYPIIYSADOS-FIXSFTCYSA-N 0 0 456.011 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nccs2)C1)OC ZINC001545777506 1067071117 /nfs/dbraw/zinc/07/11/17/1067071117.db2.gz CMNXFDWJNATWAQ-SFHVURJKSA-N 0 0 462.019 4.838 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cscc3Br)c2)cc1 ZINC001450324129 1067071334 /nfs/dbraw/zinc/07/13/34/1067071334.db2.gz HASCMMVJPKYQDI-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)N3CCN(c4ccc(Cl)cc4)CC3(C)C)n[nH]2)cc1 ZINC001450333481 1067071386 /nfs/dbraw/zinc/07/13/86/1067071386.db2.gz HXKQHSAWGJIVNR-UHFFFAOYSA-N 0 0 456.015 4.653 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cscc1Br ZINC001450331403 1067071592 /nfs/dbraw/zinc/07/15/92/1067071592.db2.gz YVIBVUBCUIBMIY-AWEZNQCLSA-N 0 0 451.289 4.899 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCN(Cc4cccc(F)c4)CC3)s2)cc1 ZINC001458476678 1067071428 /nfs/dbraw/zinc/07/14/28/1067071428.db2.gz ICUACWICPZUPDY-UHFFFAOYSA-N 0 0 453.583 4.868 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001458475163 1067071644 /nfs/dbraw/zinc/07/16/44/1067071644.db2.gz FVSONWKGGJBFKN-ZDUSSCGKSA-N 0 0 451.518 4.711 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)SC ZINC001545777645 1067071554 /nfs/dbraw/zinc/07/15/54/1067071554.db2.gz IUZDXNFSIZUEER-UHFFFAOYSA-N 0 0 467.565 4.651 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)SC ZINC001545777586 1067071608 /nfs/dbraw/zinc/07/16/08/1067071608.db2.gz GOOKXRIHTDFSTI-LJQANCHMSA-N 0 0 488.702 4.955 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1)OC ZINC001545777583 1067071686 /nfs/dbraw/zinc/07/16/86/1067071686.db2.gz GNYQEGHXLGELGM-IBGZPJMESA-N 0 0 459.591 4.632 20 0 JJADRN Cc1cc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC001450342423 1067071863 /nfs/dbraw/zinc/07/18/63/1067071863.db2.gz GDPPRIWHOQCHKQ-KRWDZBQOSA-N 0 0 458.267 4.970 20 0 JJADRN COCCOCc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1 ZINC001450346394 1067072215 /nfs/dbraw/zinc/07/22/15/1067072215.db2.gz JSXGYQPKVYAZSH-UHFFFAOYSA-N 0 0 458.967 4.747 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC001450346258 1067072246 /nfs/dbraw/zinc/07/22/46/1067072246.db2.gz HDEDXIVNRVKZST-MRXNPFEDSA-N 0 0 453.308 4.623 20 0 JJADRN O=C(Nc1ccnc(-c2ccccc2)c1)c1cc(Br)nn1-c1ncccc1Cl ZINC001458478620 1067072297 /nfs/dbraw/zinc/07/22/97/1067072297.db2.gz GQJAXDISBPOUGP-UHFFFAOYSA-N 0 0 454.715 4.998 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545777815 1067072547 /nfs/dbraw/zinc/07/25/47/1067072547.db2.gz NDNHSDAUYLNQFF-IBGZPJMESA-N 0 0 458.651 4.849 20 0 JJADRN CCOC(=O)c1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)s1 ZINC001458480840 1067072604 /nfs/dbraw/zinc/07/26/04/1067072604.db2.gz XYVZYEINGPUIOR-ROUUACIJSA-N 0 0 461.584 4.534 20 0 JJADRN O=C(Nc1ccnc(-c2ccccc2)c1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458480965 1067072814 /nfs/dbraw/zinc/07/28/14/1067072814.db2.gz UYNASHCZYGTVSU-GOSISDBHSA-N 0 0 451.473 4.841 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001450348965 1067072934 /nfs/dbraw/zinc/07/29/34/1067072934.db2.gz RXJZFWZWDSHXCL-GOSISDBHSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)OC ZINC001545777990 1067072815 /nfs/dbraw/zinc/07/28/15/1067072815.db2.gz SUGAMGFLHLNKML-LEWJYISDSA-N 0 0 456.631 4.802 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCc2cccc(F)c2C1 ZINC001458481433 1067073112 /nfs/dbraw/zinc/07/31/12/1067073112.db2.gz JVKQJMOCBCQZCG-HNNXBMFYSA-N 0 0 451.323 4.974 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1(C)C ZINC001450356635 1067073158 /nfs/dbraw/zinc/07/31/58/1067073158.db2.gz AOXSQLLBHCGXNW-GLDPYIMESA-N 0 0 452.542 4.557 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545778166 1067073157 /nfs/dbraw/zinc/07/31/57/1067073157.db2.gz ZGAQBIINPCRQMZ-WOJBJXKFSA-N 0 0 486.661 4.675 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1)SC ZINC001545778103 1067073448 /nfs/dbraw/zinc/07/34/48/1067073448.db2.gz XBKGSPSMESXFJA-UHFFFAOYSA-N 0 0 499.084 4.878 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)OC ZINC001545779090 1067073608 /nfs/dbraw/zinc/07/36/08/1067073608.db2.gz CGHASDGEFSBIDW-UHFFFAOYSA-N 0 0 497.043 4.551 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC001545778586 1067073649 /nfs/dbraw/zinc/07/36/49/1067073649.db2.gz LERDYQJMLIKMHN-UHFFFAOYSA-N 0 0 459.569 4.957 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(CCc4ccccc4)ccc3O)nc21 ZINC001450371535 1067073789 /nfs/dbraw/zinc/07/37/89/1067073789.db2.gz FNZXEUWOXKJLFW-GOSISDBHSA-N 0 0 450.560 4.869 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545779432 1067074130 /nfs/dbraw/zinc/07/41/30/1067074130.db2.gz NZQQTFPOXULOEL-SJORKVTESA-N 0 0 462.664 4.687 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cccnc3Nc3ccccc3OC)nc21 ZINC001450375304 1067074229 /nfs/dbraw/zinc/07/42/29/1067074229.db2.gz NABGKPJAFQEMJO-AWEZNQCLSA-N 0 0 452.536 4.526 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001546022478 1067074299 /nfs/dbraw/zinc/07/42/99/1067074299.db2.gz GFAYSCYVDQVYGV-KRWDZBQOSA-N 0 0 469.655 4.932 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545779429 1067074280 /nfs/dbraw/zinc/07/42/80/1067074280.db2.gz NZQQTFPOXULOEL-DLBZAZTESA-N 0 0 462.664 4.687 20 0 JJADRN Cc1c2nnc(C(F)(F)F)n2nc(NCC2(Cc3ccc(Br)cc3)CC2)c1C ZINC001458493240 1067074292 /nfs/dbraw/zinc/07/42/92/1067074292.db2.gz ZEQNFKNCBUIJDK-UHFFFAOYSA-N 0 0 454.294 4.957 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1)SC ZINC001545779439 1067074639 /nfs/dbraw/zinc/07/46/39/1067074639.db2.gz OCPDEMNUARIXPT-VQIMIIECSA-N 0 0 460.673 4.628 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001546022385 1067074589 /nfs/dbraw/zinc/07/45/89/1067074589.db2.gz DSFCRTUGYXZWSG-LJQANCHMSA-N 0 0 458.404 4.711 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001546022360 1067074607 /nfs/dbraw/zinc/07/46/07/1067074607.db2.gz DAHCHPSLUMNPOJ-FPOVZHCZSA-N 0 0 485.654 4.620 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)c1 ZINC001458496964 1067074816 /nfs/dbraw/zinc/07/48/16/1067074816.db2.gz CMXXDKMBOJXXMV-HNNXBMFYSA-N 0 0 455.605 4.863 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(O)(c2ccccc2)CC1)SC ZINC001545779579 1067074844 /nfs/dbraw/zinc/07/48/44/1067074844.db2.gz STKDAPPWGVUYEI-UHFFFAOYSA-N 0 0 451.640 4.750 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545779724 1067075016 /nfs/dbraw/zinc/07/50/16/1067075016.db2.gz YSNMWSQAYLLYNM-CALCHBBNSA-N 0 0 462.664 4.687 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001545779687 1067075050 /nfs/dbraw/zinc/07/50/50/1067075050.db2.gz XPYVEIRKSUYMCL-UHFFFAOYSA-N 0 0 452.550 4.515 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2CCc2nc(C(C)(C)C)cs2)CCO1 ZINC001546101430 1067075011 /nfs/dbraw/zinc/07/50/11/1067075011.db2.gz CVLQNSQVDTWOPA-SANMLTNESA-N 0 0 499.681 4.868 20 0 JJADRN O=C(c1cnc2cc(F)c(F)cc2c1O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450381771 1067075081 /nfs/dbraw/zinc/07/50/81/1067075081.db2.gz AYBXFJJGEJVKPU-UHFFFAOYSA-N 0 0 452.379 4.725 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Oc3cc(C)ccn3)cc2)c1 ZINC001458496668 1067075111 /nfs/dbraw/zinc/07/51/11/1067075111.db2.gz AVMHMEQKIPOJOB-GOSISDBHSA-N 0 0 453.564 4.653 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)SC ZINC001545779647 1067075078 /nfs/dbraw/zinc/07/50/78/1067075078.db2.gz VOOAMCMRCLGSBA-IBGZPJMESA-N 0 0 459.582 4.725 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(Br)c2C1)OC ZINC001545779593 1067075094 /nfs/dbraw/zinc/07/50/94/1067075094.db2.gz SWTFYDPSUNEXOY-UHFFFAOYSA-N 0 0 458.404 4.804 20 0 JJADRN COCc1c(C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)sc2cccc(F)c21 ZINC001458498239 1067075349 /nfs/dbraw/zinc/07/53/49/1067075349.db2.gz TXTSVAFCXCFVTO-UHFFFAOYSA-N 0 0 453.495 4.720 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1OC(F)F ZINC001458498352 1067075543 /nfs/dbraw/zinc/07/55/43/1067075543.db2.gz IIXGHYWSQNSMAC-DZGCQCFKSA-N 0 0 454.876 4.810 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)c1 ZINC001458499985 1067075897 /nfs/dbraw/zinc/07/58/97/1067075897.db2.gz IFDZYDRDQFQWEQ-YADARESESA-N 0 0 452.576 4.663 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1 ZINC001458499974 1067075961 /nfs/dbraw/zinc/07/59/61/1067075961.db2.gz IFDZYDRDQFQWEQ-CYFREDJKSA-N 0 0 452.576 4.663 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450396665 1067076047 /nfs/dbraw/zinc/07/60/47/1067076047.db2.gz BREILGRIORHJBS-WOJBJXKFSA-N 0 0 454.533 4.811 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545780691 1067076019 /nfs/dbraw/zinc/07/60/19/1067076019.db2.gz DWQPYOFXGRVLFR-SFHVURJKSA-N 0 0 474.675 4.674 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545780683 1067076036 /nfs/dbraw/zinc/07/60/36/1067076036.db2.gz DOVONYUNGFKKPT-RZUBCFFCSA-N 0 0 498.672 4.593 20 0 JJADRN Cc1cc(=O)c(C(=O)NC[C@@]2(C)CCCc3ccccc32)nn1-c1ccccc1C(F)(F)F ZINC001458501820 1067076385 /nfs/dbraw/zinc/07/63/85/1067076385.db2.gz BQBMZOJBFCKXNK-XMMPIXPASA-N 0 0 455.480 4.584 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)C/C(C)=C/c1ccccc1)OC ZINC001545780758 1067076412 /nfs/dbraw/zinc/07/64/12/1067076412.db2.gz HAOHHQWSAQYPDZ-XDJHFCHBSA-N 0 0 465.598 4.751 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1)OC ZINC001545780794 1067076475 /nfs/dbraw/zinc/07/64/75/1067076475.db2.gz IORWBMSMXBQTQT-UHFFFAOYSA-N 0 0 490.652 4.515 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)SC ZINC001545780892 1067076603 /nfs/dbraw/zinc/07/66/03/1067076603.db2.gz MKCKOIICKMRBME-FQEVSTJZSA-N 0 0 493.052 4.971 20 0 JJADRN COC1(CCNC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CCC1 ZINC001450404894 1067076868 /nfs/dbraw/zinc/07/68/68/1067076868.db2.gz DLWDIGUKGHIXGL-UHFFFAOYSA-N 0 0 458.624 4.719 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Br)nn1CCCOc1ccc(F)cc1 ZINC001458505443 1067076961 /nfs/dbraw/zinc/07/69/61/1067076961.db2.gz JQJMTEXTKMYBGW-UHFFFAOYSA-N 0 0 450.283 4.954 20 0 JJADRN Cc1cc(NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)nn1CCCOc1ccc(F)cc1 ZINC001458504808 1067077007 /nfs/dbraw/zinc/07/70/07/1067077007.db2.gz HFBPLHPVHXHPGI-UHFFFAOYSA-N 0 0 450.297 4.928 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)SC ZINC001545781177 1067076990 /nfs/dbraw/zinc/07/69/90/1067076990.db2.gz VNMWKGKRRHUVKX-FQEVSTJZSA-N 0 0 468.675 4.620 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2Br)nn1CCCOc1ccc(F)cc1 ZINC001458504508 1067077139 /nfs/dbraw/zinc/07/71/39/1067077139.db2.gz DZEVWIPSIRJZRQ-UHFFFAOYSA-N 0 0 450.283 4.954 20 0 JJADRN C[C@@]1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCc2ccccc21 ZINC001458505269 1067077203 /nfs/dbraw/zinc/07/72/03/1067077203.db2.gz WCICLJOJIWQHNZ-NRFANRHFSA-N 0 0 459.775 4.707 20 0 JJADRN Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)nn1CCCOc1ccc(F)cc1 ZINC001458505477 1067077370 /nfs/dbraw/zinc/07/73/70/1067077370.db2.gz JYOPVPLTRZSVST-AOMKIAJQSA-N 0 0 450.514 4.647 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545781994 1067077437 /nfs/dbraw/zinc/07/74/37/1067077437.db2.gz AIQPXOYJDKMUCF-QFIPXVFZSA-N 0 0 499.656 4.826 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)c1 ZINC001458505414 1067077624 /nfs/dbraw/zinc/07/76/24/1067077624.db2.gz YZMPHUYUDMEJCT-ASNKMWSDSA-N 0 0 454.514 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC001450408122 1067077688 /nfs/dbraw/zinc/07/76/88/1067077688.db2.gz JVPGCWUDYSYKHW-NHCUHLMSSA-N 0 0 452.551 4.762 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001545782194 1067077761 /nfs/dbraw/zinc/07/77/61/1067077761.db2.gz HBXFRXNMRVBLRF-FPOVZHCZSA-N 0 0 498.672 4.819 20 0 JJADRN CC(C)[C@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC001458505963 1067077983 /nfs/dbraw/zinc/07/79/83/1067077983.db2.gz NIYXXTIKSBVTGH-SFHVURJKSA-N 0 0 456.511 4.949 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1)SC ZINC001545782480 1067077947 /nfs/dbraw/zinc/07/79/47/1067077947.db2.gz NWBWFPASKSNBLE-MRXNPFEDSA-N 0 0 470.643 4.519 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C)(COC)CC1)SC ZINC001545782219 1067077961 /nfs/dbraw/zinc/07/79/61/1067077961.db2.gz HMTOLHLMYNIOHW-UHFFFAOYSA-N 0 0 484.670 4.769 20 0 JJADRN COc1ccc(-n2ccc(C(=O)N3C[C@@H](c4cccc(C(F)(F)F)c4)OC(C)(C)C3)n2)cc1 ZINC001450411161 1067078006 /nfs/dbraw/zinc/07/80/06/1067078006.db2.gz OYYMNWAMBYZHRQ-NRFANRHFSA-N 0 0 459.468 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC001450409270 1067078260 /nfs/dbraw/zinc/07/82/60/1067078260.db2.gz LJWWYSLUSMDKCI-VQIMIIECSA-N 0 0 454.970 4.886 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545782584 1067078258 /nfs/dbraw/zinc/07/82/58/1067078258.db2.gz QOKGMMKVSYBXAR-HXUWFJFHSA-N 0 0 455.672 4.957 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)NC(=O)OC(C)(C)C ZINC001545782562 1067078309 /nfs/dbraw/zinc/07/83/09/1067078309.db2.gz PYDOYGBQTKRURG-HXUWFJFHSA-N 0 0 471.650 4.585 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1)SC ZINC001545782849 1067078358 /nfs/dbraw/zinc/07/83/58/1067078358.db2.gz XREXQJFCFYGJNG-QFIPXVFZSA-N 0 0 483.682 4.843 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1)SC ZINC001545782848 1067078470 /nfs/dbraw/zinc/07/84/70/1067078470.db2.gz XREXQJFCFYGJNG-JOCHJYFZSA-N 0 0 483.682 4.843 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N1CC(=O)Nc2cc(Br)ccc21 ZINC001458506723 1067078392 /nfs/dbraw/zinc/07/83/92/1067078392.db2.gz QDTCQKPZBMJZRB-UHFFFAOYSA-N 0 0 458.139 4.900 20 0 JJADRN O[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)[C@@H]1c1ccc(Br)cc1 ZINC001458510744 1067078753 /nfs/dbraw/zinc/07/87/53/1067078753.db2.gz ARGGCPRNGBQRDJ-CRAIPNDOSA-N 0 0 465.273 4.632 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001545783427 1067078835 /nfs/dbraw/zinc/07/88/35/1067078835.db2.gz QTMIRFVXLWBJGV-UHFFFAOYSA-N 0 0 451.640 4.509 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1)OC ZINC001545783698 1067078916 /nfs/dbraw/zinc/07/89/16/1067078916.db2.gz AJKVFUIFKKOZAY-DHIUTWEWSA-N 0 0 456.631 4.563 20 0 JJADRN C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC001458516022 1067079008 /nfs/dbraw/zinc/07/90/08/1067079008.db2.gz AIYXXHQXPCPMFK-AWEZNQCLSA-N 0 0 454.479 4.598 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C)SC ZINC001545783820 1067079065 /nfs/dbraw/zinc/07/90/65/1067079065.db2.gz CZZVUCHMIJDFIR-RBUKOAKNSA-N 0 0 481.707 4.540 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(F)cc1 ZINC001450415172 1067079214 /nfs/dbraw/zinc/07/92/14/1067079214.db2.gz QYPZFBGHEBCZTJ-XMSQKQJNSA-N 0 0 456.562 4.572 20 0 JJADRN C[C@@H]1CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C[C@@H]1NC(=O)C(F)(F)F ZINC001458519117 1067079355 /nfs/dbraw/zinc/07/93/55/1067079355.db2.gz ULCZDPONHZEXJV-ACJLOTCBSA-N 0 0 452.908 4.569 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1)SC ZINC001545783833 1067079331 /nfs/dbraw/zinc/07/93/31/1067079331.db2.gz DMZIIQHRTRCISP-LJQANCHMSA-N 0 0 491.677 4.568 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3c(C)ccc(F)c3Br)CC2)cc1 ZINC001450420218 1067079718 /nfs/dbraw/zinc/07/97/18/1067079718.db2.gz WQAOKLQJEQRABS-OAQYLSRUSA-N 0 0 450.348 4.881 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)OC ZINC001545783918 1067079687 /nfs/dbraw/zinc/07/96/87/1067079687.db2.gz GQBOBZGHAPICDO-FPOVZHCZSA-N 0 0 493.693 4.507 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)OC ZINC001545783917 1067079762 /nfs/dbraw/zinc/07/97/62/1067079762.db2.gz GQBOBZGHAPICDO-CTNGQTDRSA-N 0 0 493.693 4.507 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(c1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC001458520394 1067079824 /nfs/dbraw/zinc/07/98/24/1067079824.db2.gz XRDYVXUQWFPSBE-KSFYIVLOSA-N 0 0 459.388 4.790 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001450420816 1067079846 /nfs/dbraw/zinc/07/98/46/1067079846.db2.gz WPYQUXOPGFBTRH-JAXLGGSGSA-N 0 0 478.486 4.743 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784111 1067079870 /nfs/dbraw/zinc/07/98/70/1067079870.db2.gz KWLXRMPXDAIRTL-WOJBJXKFSA-N 0 0 463.667 4.882 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1)OC ZINC001545784130 1067079961 /nfs/dbraw/zinc/07/99/61/1067079961.db2.gz LTLVUWJIXWSLSF-GOSISDBHSA-N 0 0 461.601 4.912 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001458524782 1067080538 /nfs/dbraw/zinc/08/05/38/1067080538.db2.gz FRBBOWBGMOWQKM-HGKCTWBKSA-N 0 0 456.999 4.752 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)nn1-c1c(Cl)cccc1Cl ZINC001458524304 1067080570 /nfs/dbraw/zinc/08/05/70/1067080570.db2.gz ZVLFXHWHTYYVOY-IIAWOOMASA-N 0 0 457.452 4.807 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)nn1-c1c(Cl)cccc1Cl ZINC001458524305 1067080701 /nfs/dbraw/zinc/08/07/01/1067080701.db2.gz ZVLFXHWHTYYVOY-IJEWVQPXSA-N 0 0 457.452 4.807 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)SC ZINC001545784426 1067080666 /nfs/dbraw/zinc/08/06/66/1067080666.db2.gz SQYPXTMXNNKVSO-MSOLQXFVSA-N 0 0 467.680 4.545 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)SC ZINC001545784429 1067080757 /nfs/dbraw/zinc/08/07/57/1067080757.db2.gz SQYPXTMXNNKVSO-ZWKOTPCHSA-N 0 0 467.680 4.545 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)OC ZINC001545784437 1067080791 /nfs/dbraw/zinc/08/07/91/1067080791.db2.gz SSLVYMFLUPXZES-RBZQAINGSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)CC2=O)c(C)c1 ZINC001458526838 1067081007 /nfs/dbraw/zinc/08/10/07/1067081007.db2.gz LAXKJNCKBHTAJV-HSZRJFAPSA-N 0 0 455.558 4.533 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC001450449774 1067081193 /nfs/dbraw/zinc/08/11/93/1067081193.db2.gz CBWFLZNXOMGOQY-ZRFOIIEFSA-N 0 0 455.352 4.649 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)OC ZINC001545784495 1067081322 /nfs/dbraw/zinc/08/13/22/1067081322.db2.gz UNONVKJEJPWIDB-JTHBVZDNSA-N 0 0 491.076 4.981 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2CCC2(COC)CCCC2)CCO1 ZINC001546101719 1067081357 /nfs/dbraw/zinc/08/13/57/1067081357.db2.gz JSEVVUDVEJZOBE-RUZDIDTESA-N 0 0 456.631 4.768 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001546022927 1067081580 /nfs/dbraw/zinc/08/15/80/1067081580.db2.gz QYPXLUFNKNZGGV-MHECFPHRSA-N 0 0 462.610 4.750 20 0 JJADRN O=C(NC[C@H]1CCCS1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001545785304 1067081575 /nfs/dbraw/zinc/08/15/75/1067081575.db2.gz PWPHNZFDULUXMK-HXUWFJFHSA-N 0 0 452.601 4.780 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458527797 1067081579 /nfs/dbraw/zinc/08/15/79/1067081579.db2.gz PTWOCDDWLDOEPM-MRXNPFEDSA-N 0 0 453.336 4.785 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(Br)cc1N)C1CCCCCC1 ZINC001545784895 1067081731 /nfs/dbraw/zinc/08/17/31/1067081731.db2.gz FMRBQCJBTILBFL-UHFFFAOYSA-N 0 0 454.409 4.721 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001546022928 1067081692 /nfs/dbraw/zinc/08/16/92/1067081692.db2.gz QYPXLUFNKNZGGV-UUOWRZLLSA-N 0 0 462.610 4.750 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546101755 1067081981 /nfs/dbraw/zinc/08/19/81/1067081981.db2.gz KLNHXOFDICFZNM-SALGDXJJSA-N 0 0 474.621 4.985 20 0 JJADRN C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1ccc(Br)cc1OCCCO ZINC001450452554 1067082080 /nfs/dbraw/zinc/08/20/80/1067082080.db2.gz UKVCBMIURKTYTM-CQSZACIVSA-N 0 0 456.764 4.510 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccsc1)NC(=O)OC(C)(C)C ZINC001545786188 1067082079 /nfs/dbraw/zinc/08/20/79/1067082079.db2.gz KADWJXDQTIPRNA-SFHVURJKSA-N 0 0 463.648 4.563 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1)OC ZINC001545785927 1067082140 /nfs/dbraw/zinc/08/21/40/1067082140.db2.gz FTMCOQXLQBAMAO-HXUWFJFHSA-N 0 0 479.666 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458530488 1067082138 /nfs/dbraw/zinc/08/21/38/1067082138.db2.gz YSAKALBLQYXBHX-YADHBBJMSA-N 0 0 451.567 4.639 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1)SC ZINC001545786560 1067082317 /nfs/dbraw/zinc/08/23/17/1067082317.db2.gz RMZFROWCTYRSNZ-HXUWFJFHSA-N 0 0 457.688 4.809 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001546023073 1067082345 /nfs/dbraw/zinc/08/23/45/1067082345.db2.gz VJDXZQDFJXHQAF-HNNXBMFYSA-N 0 0 476.419 4.500 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H](C)Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001458530875 1067082424 /nfs/dbraw/zinc/08/24/24/1067082424.db2.gz JFDXXWZPQYGTSM-UGSOOPFHSA-N 0 0 454.361 4.880 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1)OC ZINC001545786684 1067082700 /nfs/dbraw/zinc/08/27/00/1067082700.db2.gz UUWKTRHXZYHLMX-NHCUHLMSSA-N 0 0 460.644 4.574 20 0 JJADRN Cc1cccc(CSCC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450467474 1067082904 /nfs/dbraw/zinc/08/29/04/1067082904.db2.gz FOVGXLASMFATOP-DNQXCXABSA-N 0 0 452.620 4.782 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCSC(F)(F)F)CCO1 ZINC001546101819 1067082990 /nfs/dbraw/zinc/08/29/90/1067082990.db2.gz MITFSJZBDZKKLW-GOSISDBHSA-N 0 0 464.941 4.769 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)SC ZINC001545787917 1067083128 /nfs/dbraw/zinc/08/31/28/1067083128.db2.gz BOSACEMNRQZUEQ-YLJYHZDGSA-N 0 0 467.079 4.684 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC001458532942 1067083168 /nfs/dbraw/zinc/08/31/68/1067083168.db2.gz IXEDCBXLNDTHOY-NRFANRHFSA-N 0 0 453.336 4.935 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](COC)O[C@@H](C)C1)SC ZINC001545787914 1067083375 /nfs/dbraw/zinc/08/33/75/1067083375.db2.gz BOSACEMNRQZUEQ-FXAWDEMLSA-N 0 0 467.079 4.684 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001458533327 1067083646 /nfs/dbraw/zinc/08/36/46/1067083646.db2.gz VOUUHVDQEODVAT-IVSAIRAKSA-N 0 0 457.621 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)C(F)(F)c3cc(F)cc(F)c3)cc2C1 ZINC001450473544 1067083580 /nfs/dbraw/zinc/08/35/80/1067083580.db2.gz VXQRDJOKXVVIHV-UHFFFAOYSA-N 0 0 454.420 4.825 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450471688 1067083609 /nfs/dbraw/zinc/08/36/09/1067083609.db2.gz MBMAWBLVOWVMTA-LADGPHEKSA-N 0 0 456.533 4.841 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1C ZINC001458536120 1067083788 /nfs/dbraw/zinc/08/37/88/1067083788.db2.gz HIIMMOSHUCECLZ-UHFFFAOYSA-N 0 0 452.942 4.879 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545788226 1067084104 /nfs/dbraw/zinc/08/41/04/1067084104.db2.gz NLLUCQDIMARVNZ-FQEVSTJZSA-N 0 0 457.688 4.888 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)SC ZINC001545788366 1067084436 /nfs/dbraw/zinc/08/44/36/1067084436.db2.gz RRSRIAWTXMQNAZ-FQEVSTJZSA-N 0 0 499.791 4.619 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)c1C ZINC001458538489 1067084564 /nfs/dbraw/zinc/08/45/64/1067084564.db2.gz QXCRMGWRYUVCQA-NFOQDIRWSA-N 0 0 450.579 4.948 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnccn1)NC(=O)OC(C)(C)C ZINC001545788299 1067084598 /nfs/dbraw/zinc/08/45/98/1067084598.db2.gz PNHXIBOYVKTSGN-UHFFFAOYSA-N 0 0 497.619 4.518 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC([C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001545788526 1067084864 /nfs/dbraw/zinc/08/48/64/1067084864.db2.gz XQYRXEIUUHLRIZ-NRFANRHFSA-N 0 0 477.694 4.813 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC001458542267 1067084943 /nfs/dbraw/zinc/08/49/43/1067084943.db2.gz KMIHBXZAYABIEV-MRXNPFEDSA-N 0 0 458.400 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](Nc2ccc3nnc(Br)n3n2)C1(C)C ZINC001458545853 1067085377 /nfs/dbraw/zinc/08/53/77/1067085377.db2.gz KLGAWRKRTGUCSK-INIZCTEOSA-N 0 0 459.348 4.574 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)OC ZINC001545789262 1067085414 /nfs/dbraw/zinc/08/54/14/1067085414.db2.gz AOFJFILGDVUORU-QFIPXVFZSA-N 0 0 488.007 4.840 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C[C@H](C(F)(F)F)O1 ZINC001450511919 1067085504 /nfs/dbraw/zinc/08/55/04/1067085504.db2.gz RESVBGZIDOOZMO-GOSISDBHSA-N 0 0 454.514 4.891 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001545789399 1067085655 /nfs/dbraw/zinc/08/56/55/1067085655.db2.gz GCUPJZFHFGCKPZ-UHFFFAOYSA-N 0 0 468.646 4.869 20 0 JJADRN CCC[C@@H](C(=O)NC(C)(C)COCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450522948 1067085866 /nfs/dbraw/zinc/08/58/66/1067085866.db2.gz KSXMRFYMZCZLIJ-DEOSSOPVSA-N 0 0 452.595 4.967 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C ZINC001545789319 1067085920 /nfs/dbraw/zinc/08/59/20/1067085920.db2.gz CMRJWRIIIPSBCK-UHFFFAOYSA-N 0 0 456.635 4.728 20 0 JJADRN COc1ccc(OC)c(CCCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001458550588 1067086463 /nfs/dbraw/zinc/08/64/63/1067086463.db2.gz YYMIOYFRULJBMR-UHFFFAOYSA-N 0 0 454.567 4.754 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@H]2C)CCO1 ZINC001546102010 1067086671 /nfs/dbraw/zinc/08/66/71/1067086671.db2.gz PIDPYAGHCBCOSL-SAHWJRBASA-N 0 0 483.440 4.842 20 0 JJADRN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001450531129 1067086563 /nfs/dbraw/zinc/08/65/63/1067086563.db2.gz AEACCADVSYVVIH-HSZRJFAPSA-N 0 0 450.514 4.754 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2cccc(Br)c2n1 ZINC001545790039 1067087171 /nfs/dbraw/zinc/08/71/71/1067087171.db2.gz BIRHKFVXCVGQKO-IBGZPJMESA-N 0 0 456.340 4.887 20 0 JJADRN CCOC(=O)c1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1O ZINC001450534112 1067086975 /nfs/dbraw/zinc/08/69/75/1067086975.db2.gz JZVJVALYRWWSTP-UHFFFAOYSA-N 0 0 450.438 4.892 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001450532585 1067087185 /nfs/dbraw/zinc/08/71/85/1067087185.db2.gz FNQLJZQZRNQXHJ-UHFFFAOYSA-N 0 0 458.967 4.686 20 0 JJADRN CCOC(=O)c1cc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O ZINC001450538348 1067087413 /nfs/dbraw/zinc/08/74/13/1067087413.db2.gz RVZGULKOAIQCQX-UHFFFAOYSA-N 0 0 450.438 4.892 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001545790883 1067087381 /nfs/dbraw/zinc/08/73/81/1067087381.db2.gz ACAKZXYZVOUCFZ-NRFANRHFSA-N 0 0 456.660 4.790 20 0 JJADRN CC[C@H](OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1cccc(Cl)c1 ZINC001458558637 1067087362 /nfs/dbraw/zinc/08/73/62/1067087362.db2.gz CIMQYCJXISISSW-GTNSWQLSSA-N 0 0 450.716 4.782 20 0 JJADRN C[C@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1cccc(OC(F)F)c1 ZINC001458557466 1067087460 /nfs/dbraw/zinc/08/74/60/1067087460.db2.gz YVZNJZABESNXCB-LBPRGKRZSA-N 0 0 452.504 4.834 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001450536710 1067087504 /nfs/dbraw/zinc/08/75/04/1067087504.db2.gz DBUDZGPJXIPPIT-WZONZLPQSA-N 0 0 455.352 4.563 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1)OC ZINC001545790996 1067087588 /nfs/dbraw/zinc/08/75/88/1067087588.db2.gz DPFLHLMXCUXRDA-UHFFFAOYSA-N 0 0 473.637 4.690 20 0 JJADRN COc1ccc(CCC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC001450540930 1067088004 /nfs/dbraw/zinc/08/80/04/1067088004.db2.gz CRDQZXUAORYAAS-OAHLLOKOSA-N 0 0 457.409 4.590 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC001450538824 1067088167 /nfs/dbraw/zinc/08/81/67/1067088167.db2.gz ZPHLLHIJSKQHBS-KLICCBINSA-N 0 0 451.405 4.704 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(O)cc1)OC ZINC001545791214 1067088187 /nfs/dbraw/zinc/08/81/87/1067088187.db2.gz KUZDDMUVURIKAI-OAQYLSRUSA-N 0 0 455.628 4.886 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2F)C1)OC ZINC001545791155 1067088229 /nfs/dbraw/zinc/08/82/29/1067088229.db2.gz JACYAYAFYWGBHS-NRFANRHFSA-N 0 0 458.603 4.853 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)OC ZINC001545791416 1067088739 /nfs/dbraw/zinc/08/87/39/1067088739.db2.gz RKSRBZLUBMUMKH-UHFFFAOYSA-N 0 0 497.665 4.644 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(O)cc2)CC1)SC ZINC001545791411 1067088833 /nfs/dbraw/zinc/08/88/33/1067088833.db2.gz RFNLDNZUGKDSFN-UHFFFAOYSA-N 0 0 471.696 4.884 20 0 JJADRN O=C(c1ccccc1Oc1cccc(Br)c1)N1CCN(c2ncccc2F)CC1 ZINC001458568131 1067089015 /nfs/dbraw/zinc/08/90/15/1067089015.db2.gz LKBXIPBMICOWET-UHFFFAOYSA-N 0 0 456.315 4.738 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545791511 1067089254 /nfs/dbraw/zinc/08/92/54/1067089254.db2.gz VNGSKEGEBHICLI-NRFANRHFSA-N 0 0 477.694 4.957 20 0 JJADRN CC(=O)N1CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC12CCCCC2 ZINC001458570150 1067089395 /nfs/dbraw/zinc/08/93/95/1067089395.db2.gz UGIKUZLMKWBHOU-HSZRJFAPSA-N 0 0 458.961 4.993 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)n1 ZINC001458570539 1067089583 /nfs/dbraw/zinc/08/95/83/1067089583.db2.gz IRJHYHWTDCZFBJ-IBGZPJMESA-N 0 0 454.571 4.551 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cccc(F)c2)C1)OC ZINC001545791599 1067089607 /nfs/dbraw/zinc/08/96/07/1067089607.db2.gz ZLZYDYATYQOIAE-IBGZPJMESA-N 0 0 457.619 4.972 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)c2ccc(CSc3nc[nH]n3)cc2)ccc1Br ZINC001450547643 1067089756 /nfs/dbraw/zinc/08/97/56/1067089756.db2.gz FNQVTEAMOLUXGA-UHFFFAOYSA-N 0 0 459.413 4.919 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545792735 1067090806 /nfs/dbraw/zinc/09/08/06/1067090806.db2.gz KLJYKSFQCGXQIP-ICSRJNTNSA-N 0 0 487.693 4.848 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545792736 1067090821 /nfs/dbraw/zinc/09/08/21/1067090821.db2.gz KLJYKSFQCGXQIP-QUCCMNQESA-N 0 0 487.693 4.848 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCC[C@@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC001458589310 1067091146 /nfs/dbraw/zinc/09/11/46/1067091146.db2.gz DMDVRXDVCKAXHO-OIBJUYFYSA-N 0 0 454.152 4.617 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545792796 1067091409 /nfs/dbraw/zinc/09/14/09/1067091409.db2.gz MSHLDOSYFSMXQU-LJQANCHMSA-N 0 0 487.693 4.850 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)SC ZINC001545793068 1067091653 /nfs/dbraw/zinc/09/16/53/1067091653.db2.gz VFAVBYIUILZBIS-OFVILXPXSA-N 0 0 488.698 4.780 20 0 JJADRN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(F)cc1Br ZINC001450564131 1067091794 /nfs/dbraw/zinc/09/17/94/1067091794.db2.gz TYBVMLVIIFAEOC-SFHVURJKSA-N 0 0 451.336 4.971 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001546024332 1067091808 /nfs/dbraw/zinc/09/18/08/1067091808.db2.gz ATYVUDZXHBVPBN-QHCPKHFHSA-N 0 0 466.573 4.739 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001546024306 1067091851 /nfs/dbraw/zinc/09/18/51/1067091851.db2.gz AFEOBTZXWCYQKC-KRWDZBQOSA-N 0 0 499.647 4.899 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458591185 1067091866 /nfs/dbraw/zinc/09/18/66/1067091866.db2.gz UEUZWSHRLPMHJY-LIRRHRJNSA-N 0 0 456.867 4.988 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C)SC ZINC001545793224 1067091992 /nfs/dbraw/zinc/09/19/92/1067091992.db2.gz ZZXLNUWCQFCOBS-FPOVZHCZSA-N 0 0 455.672 4.705 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593494 1067092072 /nfs/dbraw/zinc/09/20/72/1067092072.db2.gz MOXPPDHTWDTEBL-VWPQPMDRSA-N 0 0 457.014 4.880 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001545794071 1067092172 /nfs/dbraw/zinc/09/21/72/1067092172.db2.gz UDYGMCCCSFGLKX-OAHLLOKOSA-N 0 0 458.868 4.836 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)c(C)c12 ZINC001458594774 1067092334 /nfs/dbraw/zinc/09/23/34/1067092334.db2.gz QQVSUCSFXJATDR-LJQANCHMSA-N 0 0 455.002 4.797 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458599082 1067092629 /nfs/dbraw/zinc/09/26/29/1067092629.db2.gz DXEVBBUXIJDEFC-HXUWFJFHSA-N 0 0 457.317 4.582 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC001458599377 1067092639 /nfs/dbraw/zinc/09/26/39/1067092639.db2.gz XMEUIHJCDZHZRF-OAQYLSRUSA-N 0 0 456.876 4.733 20 0 JJADRN C[C@H]1CSc2ccccc2N(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)C1 ZINC001458598768 1067092691 /nfs/dbraw/zinc/09/26/91/1067092691.db2.gz DBOUCTKOZLKOFB-QGZVFWFLSA-N 0 0 454.979 4.969 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC[C@]1(COC)OCCc2ccccc21 ZINC001450593272 1067092752 /nfs/dbraw/zinc/09/27/52/1067092752.db2.gz CFTLZAVNKAOSMD-AREMUKBSSA-N 0 0 452.620 4.876 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)C1 ZINC001450596148 1067092869 /nfs/dbraw/zinc/09/28/69/1067092869.db2.gz INXIYYYAUZZJAF-FQEVSTJZSA-N 0 0 454.615 4.771 20 0 JJADRN COc1ccc(C[C@](C)(O)CNC(=O)c2cccc(F)c2Sc2ccccc2)cc1OC ZINC001450596473 1067093066 /nfs/dbraw/zinc/09/30/66/1067093066.db2.gz MSBCHXFMXQNJRC-VWLOTQADSA-N 0 0 455.551 4.718 20 0 JJADRN Cn1cnnc1-c1cncc(NC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 ZINC001458605571 1067093273 /nfs/dbraw/zinc/09/32/73/1067093273.db2.gz HZUIFGCPAKVDRF-HXUWFJFHSA-N 0 0 454.317 4.943 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001450599864 1067093541 /nfs/dbraw/zinc/09/35/41/1067093541.db2.gz FESXJYGKSBMLKU-AVRDEDQJSA-N 0 0 454.368 4.529 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC(F)(F)F ZINC001546024416 1067093576 /nfs/dbraw/zinc/09/35/76/1067093576.db2.gz DNKOOHXMACVULD-UHFFFAOYSA-N 0 0 469.733 4.911 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458606901 1067093698 /nfs/dbraw/zinc/09/36/98/1067093698.db2.gz MIBFYHDPZDXBEN-IFXJQAMLSA-N 0 0 459.461 4.692 20 0 JJADRN O=C(NC1(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1)OCc1ccccc1 ZINC001458606580 1067093734 /nfs/dbraw/zinc/09/37/34/1067093734.db2.gz BJJCQJSADNQUJT-UHFFFAOYSA-N 0 0 457.246 4.865 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H](COC)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545794828 1067093794 /nfs/dbraw/zinc/09/37/94/1067093794.db2.gz PIXYMAMIUUNEPZ-SFHVURJKSA-N 0 0 451.656 4.522 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)SC ZINC001545794771 1067093872 /nfs/dbraw/zinc/09/38/72/1067093872.db2.gz OABKZZNGLWGREH-QHCPKHFHSA-N 0 0 475.728 4.763 20 0 JJADRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450603441 1067094064 /nfs/dbraw/zinc/09/40/64/1067094064.db2.gz IOWBIUPQMNRZEO-XXBNENTESA-N 0 0 453.380 4.954 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cnc(Oc2ccccc2)cn1 ZINC001458609582 1067094115 /nfs/dbraw/zinc/09/41/15/1067094115.db2.gz LEGLBBYZSPQQSK-UHFFFAOYSA-N 0 0 452.230 4.980 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1(C)C ZINC001458609113 1067094246 /nfs/dbraw/zinc/09/42/46/1067094246.db2.gz HTLUPKNCCGJISX-SFHVURJKSA-N 0 0 450.295 4.842 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545794937 1067094535 /nfs/dbraw/zinc/09/45/35/1067094535.db2.gz SHMKNOVWCSYFPU-HXUWFJFHSA-N 0 0 450.624 4.923 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC[C@H]([C@H](O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC001450605705 1067094714 /nfs/dbraw/zinc/09/47/14/1067094714.db2.gz LKHQZFINPXNFAX-SIKLNZKXSA-N 0 0 456.384 4.621 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC001458611646 1067094786 /nfs/dbraw/zinc/09/47/86/1067094786.db2.gz RUSGSZLXCSHLHU-LBPRGKRZSA-N 0 0 452.274 4.906 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1)SC ZINC001545795122 1067095167 /nfs/dbraw/zinc/09/51/67/1067095167.db2.gz YLRRNQVUZSPHIY-SFHVURJKSA-N 0 0 488.576 4.555 20 0 JJADRN Cn1nc(NC(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)cc1C1CC1 ZINC001450609100 1067095256 /nfs/dbraw/zinc/09/52/56/1067095256.db2.gz ORXFZJYOBWLVCK-UHFFFAOYSA-N 0 0 457.303 4.704 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCC2(c3ccc(F)cc3Cl)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458612236 1067095453 /nfs/dbraw/zinc/09/54/53/1067095453.db2.gz ZUSDBKTVCNVTPY-JLTOFOAXSA-N 0 0 453.316 4.639 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450611140 1067095518 /nfs/dbraw/zinc/09/55/18/1067095518.db2.gz SCNSFUUBTAJTKY-JGGGODFGSA-N 0 0 458.396 4.919 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C)OC ZINC001545796427 1067096282 /nfs/dbraw/zinc/09/62/82/1067096282.db2.gz FRRSHYYSRLAAJN-FHWLQOOXSA-N 0 0 481.707 4.886 20 0 JJADRN Cc1cc(N(C)Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)nc(S(C)(=O)=O)n1 ZINC001458616578 1067096463 /nfs/dbraw/zinc/09/64/63/1067096463.db2.gz XQLPMFDVIDBFIL-UHFFFAOYSA-N 0 0 452.363 4.924 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1)SC ZINC001545796555 1067096350 /nfs/dbraw/zinc/09/63/50/1067096350.db2.gz IQOOVNHAGKPMMW-UYAOXDASSA-N 0 0 463.717 4.996 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(OCc2ccccc2F)CC1)OC ZINC001545796665 1067096684 /nfs/dbraw/zinc/09/66/84/1067096684.db2.gz LUBBZCHGXPACDA-JOCHJYFZSA-N 0 0 460.594 4.660 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)c2ccccc2C1)OC ZINC001545796777 1067096774 /nfs/dbraw/zinc/09/67/74/1067096774.db2.gz PDEURGOWOBTMFS-FYYLOGMGSA-N 0 0 469.674 4.858 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458619525 1067096913 /nfs/dbraw/zinc/09/69/13/1067096913.db2.gz BPAYNCALCGPMAT-CQSZACIVSA-N 0 0 456.167 4.581 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(C)cccc2C1)OC ZINC001545796782 1067097025 /nfs/dbraw/zinc/09/70/25/1067097025.db2.gz PJHXLUYOSOQDQC-HSZRJFAPSA-N 0 0 476.625 4.638 20 0 JJADRN O=C(Cc1cc(Br)ccc1F)N(CCCOc1ccccc1)C1CCOCC1 ZINC001458621142 1067097248 /nfs/dbraw/zinc/09/72/48/1067097248.db2.gz HUQXWTXYBWZHTL-UHFFFAOYSA-N 0 0 450.348 4.607 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]c(=O)c4ccccc34)c2)c1 ZINC001450627889 1067097337 /nfs/dbraw/zinc/09/73/37/1067097337.db2.gz MJDJUVUWDSDIOP-UHFFFAOYSA-N 0 0 455.470 4.622 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001546024593 1067097518 /nfs/dbraw/zinc/09/75/18/1067097518.db2.gz KIJKSPAELOEZBG-HXUWFJFHSA-N 0 0 477.447 4.654 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)C1 ZINC001458622491 1067097532 /nfs/dbraw/zinc/09/75/32/1067097532.db2.gz FYDXYVPWSHVMNZ-ZDUSSCGKSA-N 0 0 455.780 4.601 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)nc1 ZINC001458622328 1067097704 /nfs/dbraw/zinc/09/77/04/1067097704.db2.gz KWPBEIKJLKANPX-UHFFFAOYSA-N 0 0 455.555 4.519 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)N(OC)[C@@H](C)c4ccccc4C)cc3C2=O)cc1 ZINC001450638805 1067098037 /nfs/dbraw/zinc/09/80/37/1067098037.db2.gz KFRRVSHQVQAIGJ-SFHVURJKSA-N 0 0 458.514 4.959 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)=O)CC1)OC ZINC001545798077 1067098252 /nfs/dbraw/zinc/09/82/52/1067098252.db2.gz FPVOFFIEIOQXHA-JOCHJYFZSA-N 0 0 462.038 4.545 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545798106 1067098497 /nfs/dbraw/zinc/09/84/97/1067098497.db2.gz FYAWEXNSCINWPO-YADARESESA-N 0 0 494.640 4.612 20 0 JJADRN CC[C@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1cccc(Br)c1 ZINC001458629040 1067099129 /nfs/dbraw/zinc/09/91/29/1067099129.db2.gz TZORPKGULUAAIX-SFHVURJKSA-N 0 0 454.386 4.624 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001450646816 1067099077 /nfs/dbraw/zinc/09/90/77/1067099077.db2.gz SVXGGZWDCCJGHT-UHFFFAOYSA-N 0 0 457.452 4.609 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545798247 1067099221 /nfs/dbraw/zinc/09/92/21/1067099221.db2.gz IAJSJDXGSGAJDR-OFNKIYASSA-N 0 0 472.630 4.766 20 0 JJADRN COCc1nc(OC)cc(N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)n1 ZINC001458634830 1067099236 /nfs/dbraw/zinc/09/92/36/1067099236.db2.gz VZJGFQIACBMABC-UHFFFAOYSA-N 0 0 450.608 4.726 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1)OC ZINC001545798336 1067099445 /nfs/dbraw/zinc/09/94/45/1067099445.db2.gz JIGDRCRZNWQGMK-VQTJNVASSA-N 0 0 465.436 4.774 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCCCn2ccnc2C)CCO1 ZINC001546102489 1067099443 /nfs/dbraw/zinc/09/94/43/1067099443.db2.gz YUOJZRUJJDBBIP-RUZDIDTESA-N 0 0 468.671 4.869 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001546024759 1067099529 /nfs/dbraw/zinc/09/95/29/1067099529.db2.gz PLRQCQSCDKLVDI-LJQANCHMSA-N 0 0 470.639 4.786 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001546024753 1067099572 /nfs/dbraw/zinc/09/95/72/1067099572.db2.gz PIHQXZUWEGPZAP-KRWDZBQOSA-N 0 0 465.627 4.583 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC ZINC001545798341 1067099598 /nfs/dbraw/zinc/09/95/98/1067099598.db2.gz JNAOIWHTGGIMGP-JOCHJYFZSA-N 0 0 488.652 4.556 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001546024897 1067099943 /nfs/dbraw/zinc/09/99/43/1067099943.db2.gz UUJCGKBTUGOKSD-MOPGFXCFSA-N 0 0 478.584 4.741 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798424 1067099824 /nfs/dbraw/zinc/09/98/24/1067099824.db2.gz KVZHOKRTGPFWDS-SFTDATJTSA-N 0 0 473.662 4.819 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001545798390 1067099992 /nfs/dbraw/zinc/09/99/92/1067099992.db2.gz KFVXOWDOMFVPHB-YADHBBJMSA-N 0 0 497.105 4.843 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545798470 1067100630 /nfs/dbraw/zinc/10/06/30/1067100630.db2.gz LMNRFBDCBSOWSD-RXVVDRJESA-N 0 0 483.613 4.810 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1)OC ZINC001545798441 1067100638 /nfs/dbraw/zinc/10/06/38/1067100638.db2.gz LEOYTZLZDFDSDF-RUZDIDTESA-N 0 0 462.642 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCc1ccc(OCc3ccccc3F)cc1)CC2 ZINC001458657180 1067101302 /nfs/dbraw/zinc/10/13/02/1067101302.db2.gz JHYNLUMQNAOOHR-UHFFFAOYSA-N 0 0 454.542 4.953 20 0 JJADRN CC(C)n1ncc2c1[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)CCC2 ZINC001458657321 1067101374 /nfs/dbraw/zinc/10/13/74/1067101374.db2.gz JYJUFOSMSWJOES-JNNLJUPQSA-N 0 0 455.002 4.706 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)CO1 ZINC001458655794 1067101382 /nfs/dbraw/zinc/10/13/82/1067101382.db2.gz GJEFCJGOKAZXAA-RBBKRZOGSA-N 0 0 457.542 4.548 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)CO1 ZINC001458655785 1067101390 /nfs/dbraw/zinc/10/13/90/1067101390.db2.gz GJEFCJGOKAZXAA-IFMALSPDSA-N 0 0 457.542 4.548 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4sccc43)ccc2Cl)C1 ZINC001458657604 1067101907 /nfs/dbraw/zinc/10/19/07/1067101907.db2.gz NVBQCNJOLKVIIP-RDTXWAMCSA-N 0 0 453.029 4.630 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CCSC ZINC001546025060 1067101868 /nfs/dbraw/zinc/10/18/68/1067101868.db2.gz ZIGRPBPONCHTDO-ZDUSSCGKSA-N 0 0 461.495 4.898 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CCSC ZINC001546025059 1067101924 /nfs/dbraw/zinc/10/19/24/1067101924.db2.gz ZIGRPBPONCHTDO-CYBMUJFWSA-N 0 0 461.495 4.898 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)CSCc1cn2cc(C)ccc2n1 ZINC001450674375 1067102026 /nfs/dbraw/zinc/10/20/26/1067102026.db2.gz RWOJAJRJJUFDAA-UHFFFAOYSA-N 0 0 452.349 4.815 20 0 JJADRN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)c(Cl)c2)CCC3)C1 ZINC001458658349 1067101977 /nfs/dbraw/zinc/10/19/77/1067101977.db2.gz MSVUKRAQCZIZBL-NEPJUHHUSA-N 0 0 451.375 4.615 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CCOC1)OC ZINC001545798849 1067102424 /nfs/dbraw/zinc/10/24/24/1067102424.db2.gz SHCJJEAOKYAQFS-GBXCKJPGSA-N 0 0 451.615 4.868 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2Br)nnc1N1CCOC[C@H]1C)OC ZINC001545798855 1067102555 /nfs/dbraw/zinc/10/25/55/1067102555.db2.gz SHQANJQFNCSLDP-OXQOHEQNSA-N 0 0 465.436 4.774 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1ccc(F)c(C)c1 ZINC001458662045 1067103087 /nfs/dbraw/zinc/10/30/87/1067103087.db2.gz CQPMHBQCHWQHEJ-FQEVSTJZSA-N 0 0 451.922 4.865 20 0 JJADRN Cc1c(Br)csc1C(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450687850 1067103295 /nfs/dbraw/zinc/10/32/95/1067103295.db2.gz CJLCFQUQJXSLKI-HNNXBMFYSA-N 0 0 457.434 4.928 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545799103 1067103629 /nfs/dbraw/zinc/10/36/29/1067103629.db2.gz WUKCOWTXLPXAEO-NYVOZVTQSA-N 0 0 486.661 4.531 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC ZINC001545799069 1067103715 /nfs/dbraw/zinc/10/37/15/1067103715.db2.gz WKIHVTGCJCQNIL-WMZHIEFXSA-N 0 0 469.674 4.751 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC ZINC001545799068 1067103783 /nfs/dbraw/zinc/10/37/83/1067103783.db2.gz WKIHVTGCJCQNIL-CVDCTZTESA-N 0 0 469.674 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ccc(OC(F)(F)Cl)cc3)CC2)C1 ZINC001450692894 1067104118 /nfs/dbraw/zinc/10/41/18/1067104118.db2.gz PASBIUPOPCNLED-KRWDZBQOSA-N 0 0 458.933 4.964 20 0 JJADRN CCSCc1ccnc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC001545799490 1067104931 /nfs/dbraw/zinc/10/49/31/1067104931.db2.gz ILDUBXOTQAQNJQ-NRFANRHFSA-N 0 0 450.564 4.865 20 0 JJADRN CCc1ccc2c(c1)[C@H](OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)CCO2 ZINC001458668636 1067105143 /nfs/dbraw/zinc/10/51/43/1067105143.db2.gz XZSWCLQOLDTJLQ-PZJWPPBQSA-N 0 0 458.352 4.570 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC001458668826 1067105177 /nfs/dbraw/zinc/10/51/77/1067105177.db2.gz NPLDJMHKJUHUKE-LBPRGKRZSA-N 0 0 450.406 4.506 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC001458671637 1067105786 /nfs/dbraw/zinc/10/57/86/1067105786.db2.gz SGDRWPOTDQPJHG-INIZCTEOSA-N 0 0 451.610 4.785 20 0 JJADRN O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001458671914 1067105857 /nfs/dbraw/zinc/10/58/57/1067105857.db2.gz STNUNIRATSFHHF-CQSZACIVSA-N 0 0 451.388 4.629 20 0 JJADRN CSc1ccc(CCCC(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC001458672350 1067105915 /nfs/dbraw/zinc/10/59/15/1067105915.db2.gz AVTMYLBXPYTDDO-SFHVURJKSA-N 0 0 450.526 4.667 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1)OC ZINC001545800219 1067106225 /nfs/dbraw/zinc/10/62/25/1067106225.db2.gz CKTXWJKCWQBRRW-ZEVJAHDQSA-N 0 0 474.621 4.598 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)cc2Br)no1 ZINC001458672775 1067106343 /nfs/dbraw/zinc/10/63/43/1067106343.db2.gz SKIPMDCPMALDRY-MOPGFXCFSA-N 0 0 451.361 4.646 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)OC ZINC001545800457 1067106762 /nfs/dbraw/zinc/10/67/62/1067106762.db2.gz GXRPFMXNDQOTTL-HYBUGGRVSA-N 0 0 491.627 4.618 20 0 JJADRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001458675119 1067107033 /nfs/dbraw/zinc/10/70/33/1067107033.db2.gz KIXZRZIHSKTJIM-UHFFFAOYSA-N 0 0 454.386 4.527 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)c2)cs1 ZINC001458677381 1067107094 /nfs/dbraw/zinc/10/70/94/1067107094.db2.gz QRFWDMBPKINUMZ-GOSISDBHSA-N 0 0 459.493 4.668 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1)OC ZINC001545800599 1067107431 /nfs/dbraw/zinc/10/74/31/1067107431.db2.gz JIYDSAWGGHLIPA-WIOPSUGQSA-N 0 0 461.050 4.980 20 0 JJADRN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001458680651 1067107671 /nfs/dbraw/zinc/10/76/71/1067107671.db2.gz ALNNGMOXOVNEIB-ZWKOTPCHSA-N 0 0 453.258 4.723 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1)OC ZINC001545800885 1067107988 /nfs/dbraw/zinc/10/79/88/1067107988.db2.gz NUABYHQEYPSFRR-XMMPIXPASA-N 0 0 480.657 4.572 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450707187 1067107977 /nfs/dbraw/zinc/10/79/77/1067107977.db2.gz RFTDLEKTNKUKHP-HSZRJFAPSA-N 0 0 452.542 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)C1(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001450707746 1067108132 /nfs/dbraw/zinc/10/81/32/1067108132.db2.gz SLQQVAGYEHAWIO-QFIPXVFZSA-N 0 0 452.517 4.987 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)C[C@H](C)S1(=O)=O ZINC001450706255 1067108138 /nfs/dbraw/zinc/10/81/38/1067108138.db2.gz QLXKSEPHRZNQRK-OKILXGFUSA-N 0 0 458.432 4.933 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2=O)ccc1Br ZINC001458682065 1067108135 /nfs/dbraw/zinc/10/81/35/1067108135.db2.gz KAXBXRPQOFFFDE-NLWGTHIKSA-N 0 0 461.787 4.826 20 0 JJADRN C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CCN1C(=O)OC(C)(C)C ZINC001458682393 1067108236 /nfs/dbraw/zinc/10/82/36/1067108236.db2.gz GNYSTKQLFBOGFB-BVGQSLNGSA-N 0 0 455.368 4.897 20 0 JJADRN CN(c1nc(C(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cs1)c1ccccc1 ZINC001450706242 1067108212 /nfs/dbraw/zinc/10/82/12/1067108212.db2.gz QIIYVDJBGRWBDM-XMMPIXPASA-N 0 0 456.612 4.774 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)OC ZINC001545801292 1067108689 /nfs/dbraw/zinc/10/86/89/1067108689.db2.gz ULZABVUKUJNVOP-OFNKIYASSA-N 0 0 452.578 4.709 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C)CC1)OC ZINC001545801247 1067108817 /nfs/dbraw/zinc/10/88/17/1067108817.db2.gz TUKIXPGUFMUBDN-XXBNENTESA-N 0 0 480.657 4.660 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)OC ZINC001545801291 1067108839 /nfs/dbraw/zinc/10/88/39/1067108839.db2.gz ULZABVUKUJNVOP-NZQKXSOJSA-N 0 0 452.578 4.709 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccc(Cl)s3)C2=O)ccc1Br ZINC001458684686 1067108862 /nfs/dbraw/zinc/10/88/62/1067108862.db2.gz QKSGPYYJNBOOEP-YXMGTMDOSA-N 0 0 453.789 4.797 20 0 JJADRN O=C(CCc1ccccc1C(F)(F)F)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001458684197 1067108904 /nfs/dbraw/zinc/10/89/04/1067108904.db2.gz MCJOWZNTDNGWGC-MRXNPFEDSA-N 0 0 458.402 4.574 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001545801355 1067109487 /nfs/dbraw/zinc/10/94/87/1067109487.db2.gz VCAZJJIJTHMYOF-PXNSSMCTSA-N 0 0 459.601 4.850 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)OC ZINC001545801569 1067109957 /nfs/dbraw/zinc/10/99/57/1067109957.db2.gz YNFICZFTPCPCJC-KNQAVFIVSA-N 0 0 491.474 4.949 20 0 JJADRN CN(CCOc1ccccc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)C(=O)OC(C)(C)C ZINC001458690037 1067110174 /nfs/dbraw/zinc/11/01/74/1067110174.db2.gz VOFQSHSHFGASLH-KRWDZBQOSA-N 0 0 450.535 4.653 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cccc(C(F)F)c3)C2=O)ccc1Br ZINC001458687699 1067110219 /nfs/dbraw/zinc/11/02/19/1067110219.db2.gz ZOMJOSJVCGZONG-GOSISDBHSA-N 0 0 451.311 4.549 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)[C@@H]1C)OC ZINC001545802803 1067110534 /nfs/dbraw/zinc/11/05/34/1067110534.db2.gz BWMFUMIJFDLNBX-IPJJNNNSSA-N 0 0 470.687 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC001458694892 1067110777 /nfs/dbraw/zinc/11/07/77/1067110777.db2.gz SZXRXYPTKBGJEA-FUHWJXTLSA-N 0 0 450.377 4.630 20 0 JJADRN CCC(CC)[C@H](CCn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C)OC ZINC001545802888 1067111121 /nfs/dbraw/zinc/11/11/21/1067111121.db2.gz DEJSZMOVUBUDAA-NRFANRHFSA-N 0 0 475.703 4.831 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](O)CC2(CCCC2)C1)OC ZINC001545802937 1067111153 /nfs/dbraw/zinc/11/11/53/1067111153.db2.gz FGYVRLOIJJXRST-FGZHOGPDSA-N 0 0 475.703 4.607 20 0 JJADRN COc1cccc2c1CCC[C@H](Nc1ncnc3cc(I)sc31)C2 ZINC001458701125 1067112051 /nfs/dbraw/zinc/11/20/51/1067112051.db2.gz MYNWTBCJGXJGNR-LBPRGKRZSA-N 0 0 451.333 4.664 20 0 JJADRN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001450730696 1067112125 /nfs/dbraw/zinc/11/21/25/1067112125.db2.gz IYCZTMWSPKPSKX-AWEZNQCLSA-N 0 0 456.180 4.950 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001450729851 1067112246 /nfs/dbraw/zinc/11/22/46/1067112246.db2.gz NNKJCHWRTIIJFN-QRQCRPRQSA-N 0 0 456.951 4.701 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC001458707384 1067112185 /nfs/dbraw/zinc/11/21/85/1067112185.db2.gz AFASZDOPQCPPSS-GOSISDBHSA-N 0 0 458.396 4.742 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCc2cc(F)ccc2C1)OC ZINC001545803429 1067112639 /nfs/dbraw/zinc/11/26/39/1067112639.db2.gz NPNMDNGXXCFLPS-XMMPIXPASA-N 0 0 451.590 4.807 20 0 JJADRN C[C@]1(c2ccc(C(=O)Nc3ccc(Cl)cc3Nc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC001450735456 1067113014 /nfs/dbraw/zinc/11/30/14/1067113014.db2.gz BQDFGRNZNGCJOJ-HSZRJFAPSA-N 0 0 452.873 4.530 20 0 JJADRN COc1ccc(Br)cc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC001458710623 1067113028 /nfs/dbraw/zinc/11/30/28/1067113028.db2.gz QNDAPNIMECUWEP-UHFFFAOYSA-N 0 0 455.356 4.619 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC001458707403 1067113040 /nfs/dbraw/zinc/11/30/40/1067113040.db2.gz AFASZDOPQCPPSS-SFHVURJKSA-N 0 0 458.396 4.742 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)OC ZINC001545803517 1067113417 /nfs/dbraw/zinc/11/34/17/1067113417.db2.gz PFBMRSFUZGJDHR-KCWPFWIISA-N 0 0 488.648 4.624 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@H]2CCOc3ccc(OC)cc32)nnc1-c1ccccc1 ZINC001458712824 1067113486 /nfs/dbraw/zinc/11/34/86/1067113486.db2.gz BJJSYFNTIYMWTM-UZLBHIALSA-N 0 0 452.580 4.657 20 0 JJADRN Cc1c(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001450738518 1067113530 /nfs/dbraw/zinc/11/35/30/1067113530.db2.gz UMZWNYQXBVRSIK-GOSISDBHSA-N 0 0 457.374 4.682 20 0 JJADRN O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450741216 1067114281 /nfs/dbraw/zinc/11/42/81/1067114281.db2.gz HOAGXWPWZPWJNI-FQEVSTJZSA-N 0 0 450.457 4.905 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001458716397 1067114285 /nfs/dbraw/zinc/11/42/85/1067114285.db2.gz QJZXVKFAMNBAQN-LJQANCHMSA-N 0 0 450.579 4.838 20 0 JJADRN CCC(CC)[C@@H](CCn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545803814 1067114670 /nfs/dbraw/zinc/11/46/70/1067114670.db2.gz VIUMFTSELZCFJO-AZUAARDMSA-N 0 0 465.683 4.768 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1 ZINC001546102940 1067114793 /nfs/dbraw/zinc/11/47/93/1067114793.db2.gz SSDDBBNNBLVBOF-UHFFFAOYSA-N 0 0 459.306 4.898 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)NC(c2ccccc2C)c2ccccc2C)cs1)C(N)=O ZINC001458716715 1067114835 /nfs/dbraw/zinc/11/48/35/1067114835.db2.gz RHOVWPOORZWUSW-FQEVSTJZSA-N 0 0 453.633 4.564 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC001458718480 1067114923 /nfs/dbraw/zinc/11/49/23/1067114923.db2.gz DDNGFZCRXRVYMO-GOSISDBHSA-N 0 0 455.624 4.727 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccccc2C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)OC ZINC001545804075 1067115487 /nfs/dbraw/zinc/11/54/87/1067115487.db2.gz ZLBNRTKTZHPIBV-YWEHKCAJSA-N 0 0 484.685 4.793 20 0 JJADRN Cc1cc(N2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)nc(-c2ccc(Br)cc2)n1 ZINC001458718662 1067115539 /nfs/dbraw/zinc/11/55/39/1067115539.db2.gz ZSKNYVRGFPNJGK-UHFFFAOYSA-N 0 0 459.388 4.662 20 0 JJADRN C[C@]1(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)CCO[C@@H]1C1CC1 ZINC001458720312 1067115572 /nfs/dbraw/zinc/11/55/72/1067115572.db2.gz JQABSEGZWQTWNH-SJLPKXTDSA-N 0 0 457.162 4.893 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC(C)(C)[C@H]3C3CC3)cc2)cc1 ZINC001450748578 1067115704 /nfs/dbraw/zinc/11/57/04/1067115704.db2.gz RQTNGGQYUKYLJG-HSZRJFAPSA-N 0 0 454.636 4.723 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC001458718856 1067115634 /nfs/dbraw/zinc/11/56/34/1067115634.db2.gz FRRWHCVQWCEUHL-IEBWSBKVSA-N 0 0 453.608 4.645 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)Nc3nc4c(s3)CCCC4(C)C)cn2c1 ZINC001450747329 1067115639 /nfs/dbraw/zinc/11/56/39/1067115639.db2.gz SGIJBKHZFPDHAD-UHFFFAOYSA-N 0 0 455.584 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC001458721837 1067116350 /nfs/dbraw/zinc/11/63/50/1067116350.db2.gz MFALIKWQZORPDB-BVZFJXPGSA-N 0 0 455.624 4.679 20 0 JJADRN CCc1ccc(OCc2nnc(SCC(=O)C3CCOCC3)n2Cc2ccccc2)cc1 ZINC001458722429 1067117024 /nfs/dbraw/zinc/11/70/24/1067117024.db2.gz BJYCALXJRKHCLW-UHFFFAOYSA-N 0 0 451.592 4.556 20 0 JJADRN CC(C)n1ncnc1CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC001458722943 1067117384 /nfs/dbraw/zinc/11/73/84/1067117384.db2.gz DEPZBZWUHHFYAA-UHFFFAOYSA-N 0 0 459.373 4.814 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@@H](CO)C2CCCC2)c1=S ZINC001450761274 1067117572 /nfs/dbraw/zinc/11/75/72/1067117572.db2.gz GSLXYTMCZZEZEQ-IBGZPJMESA-N 0 0 451.036 4.592 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(C)C)C1 ZINC001546026060 1067118336 /nfs/dbraw/zinc/11/83/36/1067118336.db2.gz BGSRSIGDRCSQCO-HNNXBMFYSA-N 0 0 453.400 4.880 20 0 JJADRN Cc1cc2cc(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)oc2c(Br)c1 ZINC001450769851 1067118341 /nfs/dbraw/zinc/11/83/41/1067118341.db2.gz ICJWPTKOGVERGE-HZMBPMFUSA-N 0 0 454.367 4.602 20 0 JJADRN CC[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC001458724941 1067118281 /nfs/dbraw/zinc/11/82/81/1067118281.db2.gz FOBQYWOLRBCBRZ-HXUWFJFHSA-N 0 0 453.564 4.935 20 0 JJADRN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](CCc3ccccc3)C(C)C)C2=O)ccc1Br ZINC001458725935 1067118685 /nfs/dbraw/zinc/11/86/85/1067118685.db2.gz OORXZRQJKDVOLN-RBBKRZOGSA-N 0 0 457.412 4.884 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC001458725776 1067118767 /nfs/dbraw/zinc/11/87/67/1067118767.db2.gz OHLOZEACONKOKA-OAQYLSRUSA-N 0 0 458.400 4.529 20 0 JJADRN COc1cc(-c2nnc(SC[C@H]3CCO[C@H]3C)n2-c2ccccc2F)cc(OC)c1OC ZINC001458726380 1067119677 /nfs/dbraw/zinc/11/96/77/1067119677.db2.gz JRFRKZPGQVZVHK-LSDHHAIUSA-N 0 0 459.543 4.616 20 0 JJADRN CC(C)(C)S(=O)(=O)CCCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC001458726954 1067119695 /nfs/dbraw/zinc/11/96/95/1067119695.db2.gz JFAKZEHLEIXCIK-UHFFFAOYSA-N 0 0 451.013 4.735 20 0 JJADRN COc1ccc(/C=C2\N=C(SCC[C@@H]3CCCC3=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458727530 1067119790 /nfs/dbraw/zinc/11/97/90/1067119790.db2.gz KMJPJOSUJRCEDN-CEZZIEKDSA-N 0 0 450.560 4.940 20 0 JJADRN COc1cc(C(=O)NCCc2c[nH]c3cccc(Br)c23)ccc1Br ZINC001450778797 1067119878 /nfs/dbraw/zinc/11/98/78/1067119878.db2.gz WEPRTKKYRVMCKB-UHFFFAOYSA-N 0 0 452.146 4.674 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccsc2S1(=O)=O ZINC001450779986 1067120084 /nfs/dbraw/zinc/12/00/84/1067120084.db2.gz ZVXMYPNIRVZWFU-SDBXPKJASA-N 0 0 457.417 4.823 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001458728741 1067121015 /nfs/dbraw/zinc/12/10/15/1067121015.db2.gz UMURLGZQFVVTPM-RXFWQSSRSA-N 0 0 458.558 4.847 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC001458729032 1067121024 /nfs/dbraw/zinc/12/10/24/1067121024.db2.gz VQXSAPJQYQXFIP-GQWLDOHISA-N 0 0 455.380 4.571 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001450786203 1067121064 /nfs/dbraw/zinc/12/10/64/1067121064.db2.gz HUOQUUHLXKWPDU-GOSISDBHSA-N 0 0 458.427 4.736 20 0 JJADRN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1cc2c(c(Br)c1)OCO2 ZINC001458729656 1067121636 /nfs/dbraw/zinc/12/16/36/1067121636.db2.gz JNNIYTSVLBXMMF-UHFFFAOYSA-N 0 0 453.383 4.878 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SC[C@H]1CCO[C@H]1C ZINC001458729786 1067121658 /nfs/dbraw/zinc/12/16/58/1067121658.db2.gz JYXMQZHPSMZHAQ-ZWKOTPCHSA-N 0 0 451.658 4.528 20 0 JJADRN CCOc1ccc(OCc2nnc(SCc3cn[nH]n3)n2-c2ccc(C)c(Cl)c2)cc1 ZINC001458730391 1067122155 /nfs/dbraw/zinc/12/21/55/1067122155.db2.gz NYGLINYMRAOIDB-UHFFFAOYSA-N 0 0 456.959 4.617 20 0 JJADRN CCOC(=O)[C@@H](CC)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl ZINC001458730024 1067122187 /nfs/dbraw/zinc/12/21/87/1067122187.db2.gz MICYIIRHSLINGU-LJQANCHMSA-N 0 0 455.971 4.753 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001458731711 1067122956 /nfs/dbraw/zinc/12/29/56/1067122956.db2.gz ZIROLHDFLHKTQS-SFHVURJKSA-N 0 0 454.617 4.528 20 0 JJADRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)c2nncn2C)cc1Cl ZINC001458732093 1067123561 /nfs/dbraw/zinc/12/35/61/1067123561.db2.gz NZAJMTARGBFPHB-SEJMYLSOSA-N 0 0 459.984 4.777 20 0 JJADRN COc1ccc(/C=C2/N=C(S[C@H](C)c3noc(C)n3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458733845 1067124766 /nfs/dbraw/zinc/12/47/66/1067124766.db2.gz UAINIBRZDVUNCA-MQMKENTISA-N 0 0 450.520 4.633 20 0 JJADRN CC(C)Oc1ccc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1Cl ZINC001458736523 1067125545 /nfs/dbraw/zinc/12/55/45/1067125545.db2.gz SBCUBBXIHAJXSG-FQEVSTJZSA-N 0 0 451.748 4.857 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001546026408 1067125689 /nfs/dbraw/zinc/12/56/89/1067125689.db2.gz NXEXCNQSPIIXRF-IBGZPJMESA-N 0 0 476.408 4.776 20 0 JJADRN COCCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCc1nccnc1C ZINC001458737071 1067126265 /nfs/dbraw/zinc/12/62/65/1067126265.db2.gz VLZRUFPWAACNPI-UHFFFAOYSA-N 0 0 458.996 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC001450824906 1067126334 /nfs/dbraw/zinc/12/63/34/1067126334.db2.gz AMEXKLKDUJPOPM-XZOQPEGZSA-N 0 0 453.583 4.606 20 0 JJADRN CC[C@H](c1nnc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)N(C)C ZINC001458738195 1067127499 /nfs/dbraw/zinc/12/74/99/1067127499.db2.gz RXLLMDDALBNOHZ-YPAWHYETSA-N 0 0 453.612 4.696 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001546026600 1067127559 /nfs/dbraw/zinc/12/75/59/1067127559.db2.gz UJYKJGGSZGRQKE-JOCHJYFZSA-N 0 0 477.049 4.704 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001546026594 1067127618 /nfs/dbraw/zinc/12/76/18/1067127618.db2.gz UBMMHELRSXYFBV-CQSZACIVSA-N 0 0 494.389 4.876 20 0 JJADRN CCCn1c2nnc(SCCCc3ccccc3Br)n2c2ccccc2c1=O ZINC001458740527 1067128324 /nfs/dbraw/zinc/12/83/24/1067128324.db2.gz ZUIGDARVSSRVFN-UHFFFAOYSA-N 0 0 457.397 4.942 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Br)s2)C1 ZINC001546103129 1067128416 /nfs/dbraw/zinc/12/84/16/1067128416.db2.gz AOLDLKBQOPHWNN-UHFFFAOYSA-N 0 0 480.476 4.597 20 0 JJADRN CC(C)CCn1c2nnc(SCc3cccc(Br)n3)n2c2ccccc2c1=O ZINC001458742735 1067128641 /nfs/dbraw/zinc/12/86/41/1067128641.db2.gz IWHYGRLLWQTUPF-UHFFFAOYSA-N 0 0 458.385 4.540 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001546026674 1067128732 /nfs/dbraw/zinc/12/87/32/1067128732.db2.gz XCALLYFQDIMFFM-LJQANCHMSA-N 0 0 473.021 4.505 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1F ZINC001450838091 1067129693 /nfs/dbraw/zinc/12/96/93/1067129693.db2.gz UQFGZPYCWJNCGU-NEPJUHHUSA-N 0 0 457.340 4.665 20 0 JJADRN Cc1cc(CCC(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001450843213 1067130902 /nfs/dbraw/zinc/13/09/02/1067130902.db2.gz JNMCOFGPBRCHAW-QAPCUYQASA-N 0 0 453.421 4.699 20 0 JJADRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC001458748632 1067131098 /nfs/dbraw/zinc/13/10/98/1067131098.db2.gz BTTOTNKCTSCSHE-NRFANRHFSA-N 0 0 458.990 4.948 20 0 JJADRN CCCCn1c(SCc2ccc(CN3CCOCC3)cc2)nnc1-c1ccc(OC)cc1 ZINC001458748592 1067131116 /nfs/dbraw/zinc/13/11/16/1067131116.db2.gz BPWVYZOJRHPWRR-UHFFFAOYSA-N 0 0 452.624 4.878 20 0 JJADRN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc2c(cc1Br)OCCCO2 ZINC001458751536 1067131623 /nfs/dbraw/zinc/13/16/23/1067131623.db2.gz WWCYRSHTBCDYIL-UHFFFAOYSA-N 0 0 456.123 4.675 20 0 JJADRN Cc1cc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cnc1Br ZINC001458753272 1067132144 /nfs/dbraw/zinc/13/21/44/1067132144.db2.gz RHXGAHGJCCLGEO-UHFFFAOYSA-N 0 0 458.429 4.680 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001546026762 1067132398 /nfs/dbraw/zinc/13/23/98/1067132398.db2.gz ZYPPRKWUWTVNQR-FQEVSTJZSA-N 0 0 470.658 4.568 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1cc(Cl)ccn1 ZINC001458756745 1067132941 /nfs/dbraw/zinc/13/29/41/1067132941.db2.gz ZFPSDXHOLZWIBK-UHFFFAOYSA-N 0 0 451.017 4.572 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001546026465 1067133130 /nfs/dbraw/zinc/13/31/30/1067133130.db2.gz PNFJFJILCOAUFX-BEFAXECRSA-N 0 0 453.414 4.808 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001546026522 1067133826 /nfs/dbraw/zinc/13/38/26/1067133826.db2.gz QQXDOBRFMPRACL-UHFFFAOYSA-N 0 0 477.531 4.743 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC001450888310 1067133859 /nfs/dbraw/zinc/13/38/59/1067133859.db2.gz OBADTYLHEQVSNK-FQEVSTJZSA-N 0 0 458.465 4.568 20 0 JJADRN CN(C(=O)c1c(F)cccc1I)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458762743 1067134225 /nfs/dbraw/zinc/13/42/25/1067134225.db2.gz NAUCFSRILOAWLL-RHSMWYFYSA-N 0 0 457.258 4.562 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001458764207 1067134774 /nfs/dbraw/zinc/13/47/74/1067134774.db2.gz RGJWVINEMFDFMM-CQSZACIVSA-N 0 0 455.917 4.757 20 0 JJADRN Cc1csc([C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 ZINC001458764257 1067134866 /nfs/dbraw/zinc/13/48/66/1067134866.db2.gz WWOBFUBFFUSHKD-FDTGPBLFSA-N 0 0 455.668 4.861 20 0 JJADRN CC(C)c1ccc(C[C@@H](C)NC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 ZINC001545808540 1067134986 /nfs/dbraw/zinc/13/49/86/1067134986.db2.gz BKIDTXYTLCRAIK-HRFSGMKKSA-N 0 0 458.643 4.790 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001545809153 1067135032 /nfs/dbraw/zinc/13/50/32/1067135032.db2.gz WHMCEOLPAAKWJM-ZFWWWQNUSA-N 0 0 453.848 4.806 20 0 JJADRN CC(C)c1ccc(C[C@@H](C)NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 ZINC001545808541 1067135143 /nfs/dbraw/zinc/13/51/43/1067135143.db2.gz BKIDTXYTLCRAIK-NFQMXDRXSA-N 0 0 458.643 4.790 20 0 JJADRN O=C(C=Cc1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC001450910811 1067135399 /nfs/dbraw/zinc/13/53/99/1067135399.db2.gz KRUUNHDPRWSNDM-HUQFFUELSA-N 0 0 457.361 4.580 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3NCCC3=CCCCC3)CC2)s1 ZINC001450918336 1067135927 /nfs/dbraw/zinc/13/59/27/1067135927.db2.gz SERQZZWVLZEUAT-UHFFFAOYSA-N 0 0 453.608 4.800 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)C[C@@H](C)Cc3ccc(Cl)cc3)nc3n2CCC3)cc1 ZINC001458766964 1067136021 /nfs/dbraw/zinc/13/60/21/1067136021.db2.gz ABGUFZULODGZGO-INIZCTEOSA-N 0 0 451.954 4.930 20 0 JJADRN CC(C)(C(=O)Nc1cccc(Cc2nn[nH]n2)c1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001450914915 1067135974 /nfs/dbraw/zinc/13/59/74/1067135974.db2.gz CEZHUCYVVWKXAU-UHFFFAOYSA-N 0 0 456.934 4.623 20 0 JJADRN Cn1c(CC(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC001458770075 1067137282 /nfs/dbraw/zinc/13/72/82/1067137282.db2.gz ITSHIKPHMINGFY-MRXNPFEDSA-N 0 0 456.390 4.853 20 0 JJADRN O=c1c2ccccc2nc(SCc2cccc3c(Br)cccc23)n1CCCO ZINC001458770315 1067137307 /nfs/dbraw/zinc/13/73/07/1067137307.db2.gz MQCLEBDTCPAOCQ-UHFFFAOYSA-N 0 0 455.377 4.987 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001450968219 1067137295 /nfs/dbraw/zinc/13/72/95/1067137295.db2.gz FNEIRMNHGRSKJF-NRFANRHFSA-N 0 0 451.510 4.709 20 0 JJADRN CCCn1c(=O)n(C)c(=O)c2c(SCc3cc(Cl)sc3Cl)nc(C(C)C)nc21 ZINC001458770929 1067137872 /nfs/dbraw/zinc/13/78/72/1067137872.db2.gz OUTFZZQOWYIAAG-UHFFFAOYSA-N 0 0 459.424 4.684 20 0 JJADRN Cc1ccc(N(CCC(=O)NCC2(C3CCC3)CCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001450974701 1067138067 /nfs/dbraw/zinc/13/80/67/1067138067.db2.gz SIVCSGFPXLTALT-UHFFFAOYSA-N 0 0 454.636 4.975 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)C1CCCCC1 ZINC001450981990 1067138091 /nfs/dbraw/zinc/13/80/91/1067138091.db2.gz CSQBAOPHEYXUCB-IBGZPJMESA-N 0 0 455.521 4.977 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccc(Br)cn3)n2)ccc1F ZINC001450990869 1067138688 /nfs/dbraw/zinc/13/86/88/1067138688.db2.gz MWMVKESZEXLQJF-SFHVURJKSA-N 0 0 459.319 4.638 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)c2)c1 ZINC001545810713 1067138850 /nfs/dbraw/zinc/13/88/50/1067138850.db2.gz BDPZXMACFVHBKL-UHFFFAOYSA-N 0 0 456.474 4.862 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(Br)cs1 ZINC001546027982 1067139157 /nfs/dbraw/zinc/13/91/57/1067139157.db2.gz RZZDNAJFLOJJAU-UHFFFAOYSA-N 0 0 493.427 4.685 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2F)C1 ZINC001546103444 1067139567 /nfs/dbraw/zinc/13/95/67/1067139567.db2.gz KRTJVNBUNSOFCU-UHFFFAOYSA-N 0 0 456.953 4.783 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)c2ccco2)C1 ZINC001546103445 1067139621 /nfs/dbraw/zinc/13/96/21/1067139621.db2.gz KRVZDBHFIAYOCE-GOSISDBHSA-N 0 0 469.561 4.597 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccc(Cl)c(F)c1 ZINC001458774053 1067139646 /nfs/dbraw/zinc/13/96/46/1067139646.db2.gz BVYAEMFDQDXLQP-UHFFFAOYSA-N 0 0 453.930 4.912 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)c(C)n1-c1ccon1 ZINC001451025031 1067139780 /nfs/dbraw/zinc/13/97/80/1067139780.db2.gz BOCVGPPDJGJZIH-OAQYLSRUSA-N 0 0 450.539 4.516 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001546028097 1067140011 /nfs/dbraw/zinc/14/00/11/1067140011.db2.gz WLFAIPCMMPAGGG-CQSZACIVSA-N 0 0 457.363 4.740 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001451031861 1067140765 /nfs/dbraw/zinc/14/07/65/1067140765.db2.gz CPBIIRUHDVBHLG-HOTGVXAUSA-N 0 0 456.921 4.818 20 0 JJADRN COc1ccc(-n2c(S[C@H](C(=O)N3CCCC3)C(C)C)nnc2-c2cccc(C)c2)cc1 ZINC001458776217 1067141142 /nfs/dbraw/zinc/14/11/42/1067141142.db2.gz QJEMPNWRELVIFS-QFIPXVFZSA-N 0 0 450.608 4.990 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CCCO1 ZINC001451034562 1067141166 /nfs/dbraw/zinc/14/11/66/1067141166.db2.gz RBNAZQANQCVHRA-GOSISDBHSA-N 0 0 450.988 4.824 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001546027817 1067141234 /nfs/dbraw/zinc/14/12/34/1067141234.db2.gz MFNUAHSQHNBPPV-SFHVURJKSA-N 0 0 495.462 4.519 20 0 JJADRN Cc1ccc(SCCC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)cc1C ZINC001451036109 1067141301 /nfs/dbraw/zinc/14/13/01/1067141301.db2.gz YLOLADYLPZOVTI-QGZVFWFLSA-N 0 0 454.405 4.655 20 0 JJADRN CC[C@@H]1C[C@@H](CC(=O)Oc2ccc(I)c(Br)c2)CCO1 ZINC001458776060 1067141192 /nfs/dbraw/zinc/14/11/92/1067141192.db2.gz MLHOGSPWIASBQP-WDEREUQCSA-N 0 0 453.114 4.554 20 0 JJADRN C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccccc2F)[C@H]1C ZINC001458777148 1067141802 /nfs/dbraw/zinc/14/18/02/1067141802.db2.gz KJMAUEXTXHMINA-JLHGSKIFSA-N 0 0 453.583 4.941 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C)CC1 ZINC001546027882 1067142026 /nfs/dbraw/zinc/14/20/26/1067142026.db2.gz OTWZSGLZKQOPLO-INIZCTEOSA-N 0 0 465.436 4.894 20 0 JJADRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001451043070 1067142545 /nfs/dbraw/zinc/14/25/45/1067142545.db2.gz XHCLCPWFVKBUPC-MRXNPFEDSA-N 0 0 458.967 4.949 20 0 JJADRN CO[C@@H]1CCC[C@@H](CC(=O)Oc2ccc(I)c(Br)c2)C1 ZINC001458779858 1067142954 /nfs/dbraw/zinc/14/29/54/1067142954.db2.gz OULGWPOVLLGULW-GHMZBOCLSA-N 0 0 453.114 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnn3cccc(Cl)c23)CC[C@H]1c1ccc(F)cc1 ZINC001451048855 1067143325 /nfs/dbraw/zinc/14/33/25/1067143325.db2.gz QCBCTTFFINFMFV-FXAWDEMLSA-N 0 0 472.948 4.650 20 0 JJADRN CCc1ccc(OCc2nnc(S[C@@H]3CCCN(C)C3=O)n2[C@H](C)c2ccccc2)cc1 ZINC001458780582 1067143509 /nfs/dbraw/zinc/14/35/09/1067143509.db2.gz IGJDDVFLXFKBNK-XMSQKQJNSA-N 0 0 450.608 4.742 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCOc2ccc(Br)cc2)nc1 ZINC001458782669 1067144773 /nfs/dbraw/zinc/14/47/73/1067144773.db2.gz SKOZGPYFCNECAS-UHFFFAOYSA-N 0 0 454.349 4.980 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](CCCO)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451060193 1067144771 /nfs/dbraw/zinc/14/47/71/1067144771.db2.gz FHHYJZODSKONLL-KMDXXIMOSA-N 0 0 470.585 4.591 20 0 JJADRN O=C(NCc1ccc(NC(=O)C(F)(F)F)nc1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001451072236 1067144843 /nfs/dbraw/zinc/14/48/43/1067144843.db2.gz KIINTIPUMSIOOS-UHFFFAOYSA-N 0 0 451.351 4.583 20 0 JJADRN CC(=O)c1csc(C(=O)Oc2ccc(I)c(Br)c2)c1 ZINC001458784395 1067145116 /nfs/dbraw/zinc/14/51/16/1067145116.db2.gz WOOVPTMLNGOWMX-UHFFFAOYSA-N 0 0 451.079 4.537 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001546103617 1067145222 /nfs/dbraw/zinc/14/52/22/1067145222.db2.gz QBRGYWNAOGFWPD-IBGZPJMESA-N 0 0 492.661 4.931 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001546103618 1067145952 /nfs/dbraw/zinc/14/59/52/1067145952.db2.gz QBRGYWNAOGFWPD-LJQANCHMSA-N 0 0 492.661 4.931 20 0 JJADRN CCOc1ccc(-n2c(SC[C@@H]3CCCC[C@@H]3C(=O)OC)nnc2-c2ccncc2)cc1 ZINC001458784949 1067146106 /nfs/dbraw/zinc/14/61/06/1067146106.db2.gz STHPXKVAHBLMGT-RXVVDRJESA-N 0 0 452.580 4.800 20 0 JJADRN CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001451092468 1067146241 /nfs/dbraw/zinc/14/62/41/1067146241.db2.gz ODBNZQILNIEBQZ-UHFFFAOYSA-N 0 0 454.574 4.960 20 0 JJADRN CC1(C)[C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001451109961 1067146764 /nfs/dbraw/zinc/14/67/64/1067146764.db2.gz UIFROFXASUCNKV-REWPJTCUSA-N 0 0 470.541 4.935 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cnn1-c1ccc(C)cc1 ZINC001451123529 1067147387 /nfs/dbraw/zinc/14/73/87/1067147387.db2.gz BHIVMTLUQOXHNX-HSALFYBXSA-N 0 0 452.599 4.509 20 0 JJADRN Cc1ccc(C(=O)Oc2ccc(I)c(Br)c2)c(F)c1F ZINC001458793402 1067148712 /nfs/dbraw/zinc/14/87/12/1067148712.db2.gz REGPTXHKHMOYSU-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN COC(=O)C1=C(COc2cc(Cl)c(Cl)cc2Cl)N(C)C(=O)N[C@H]1c1ccccc1 ZINC001458793186 1067148772 /nfs/dbraw/zinc/14/87/72/1067148772.db2.gz LYGOGHGPHQWYIS-SFHVURJKSA-N 0 0 455.725 4.849 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC001546103823 1067148774 /nfs/dbraw/zinc/14/87/74/1067148774.db2.gz XYBMQWSNRZZWQV-FGZHOGPDSA-N 0 0 453.631 4.601 20 0 JJADRN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ncoc2C(C)C)cc1OC ZINC001458795490 1067149130 /nfs/dbraw/zinc/14/91/30/1067149130.db2.gz WDMMVHNHZVXYJO-UHFFFAOYSA-N 0 0 451.548 4.866 20 0 JJADRN FC(F)(F)COc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cn1 ZINC001458795817 1067149154 /nfs/dbraw/zinc/14/91/54/1067149154.db2.gz JHHXNPIUHKXELM-AWEZNQCLSA-N 0 0 456.515 4.814 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCc4cccc(Cl)c4C3)cc2)c1 ZINC001451142390 1067149331 /nfs/dbraw/zinc/14/93/31/1067149331.db2.gz GWVLVJDAUDXGEW-UHFFFAOYSA-N 0 0 454.979 4.956 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451139056 1067149394 /nfs/dbraw/zinc/14/93/94/1067149394.db2.gz NGACKVYBGIBVSB-IXDOHACOSA-N 0 0 451.405 4.831 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC001546028524 1067149986 /nfs/dbraw/zinc/14/99/86/1067149986.db2.gz IIBRYOSOMDXLMM-SJLPKXTDSA-N 0 0 455.437 4.931 20 0 JJADRN CCCCCn1c(SCC(=O)c2cccnc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC001458800723 1067149945 /nfs/dbraw/zinc/14/99/45/1067149945.db2.gz SULMGYRQWKJZEW-UHFFFAOYSA-N 0 0 457.621 4.906 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)c1 ZINC001546028723 1067151352 /nfs/dbraw/zinc/15/13/52/1067151352.db2.gz MAACPGIOKLHCCF-CJAUYULYSA-N 0 0 459.521 4.929 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c(OC)c1 ZINC001458812198 1067151798 /nfs/dbraw/zinc/15/17/98/1067151798.db2.gz OXTJHPAANSCOPP-INIZCTEOSA-N 0 0 457.958 4.818 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccsc1 ZINC001451171900 1067151973 /nfs/dbraw/zinc/15/19/73/1067151973.db2.gz XXZZCDVYGBITGO-SFHVURJKSA-N 0 0 452.498 4.822 20 0 JJADRN COC1CCC(NC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC1 ZINC001451184137 1067152650 /nfs/dbraw/zinc/15/26/50/1067152650.db2.gz ZACFOLOYILXIDY-UHFFFAOYSA-N 0 0 458.624 4.717 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2ncccc2OCc2ccccc2)cs1 ZINC001451181124 1067152680 /nfs/dbraw/zinc/15/26/80/1067152680.db2.gz NVHCMYKBBKQOPE-HNNXBMFYSA-N 0 0 454.552 4.955 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c(Br)c1 ZINC001451188512 1067152775 /nfs/dbraw/zinc/15/27/75/1067152775.db2.gz ANRSZTZUZYHSRE-AEFFLSMTSA-N 0 0 456.427 4.555 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)O[C@H](c3ccncc3)c3cccc(OC)c3)c(=O)oc2c1 ZINC001458813491 1067153152 /nfs/dbraw/zinc/15/31/52/1067153152.db2.gz QYAAZDRIFFFXLR-RUZDIDTESA-N 0 0 458.514 4.989 20 0 JJADRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1OCC(=O)NC(C)C ZINC001458814324 1067153250 /nfs/dbraw/zinc/15/32/50/1067153250.db2.gz UHIRYVRMLZMJCG-QFIPXVFZSA-N 0 0 450.938 4.518 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)O[C@@H](c3ccncc3)c3cccc(OC)c3)c(=O)oc2c1 ZINC001458813499 1067153256 /nfs/dbraw/zinc/15/32/56/1067153256.db2.gz QYAAZDRIFFFXLR-VWLOTQADSA-N 0 0 458.514 4.989 20 0 JJADRN O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001458814629 1067153267 /nfs/dbraw/zinc/15/32/67/1067153267.db2.gz JVYZHLCKSYOWIW-UHFFFAOYSA-N 0 0 459.442 4.583 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3csc(-c4ccc(F)cc4)n3)nc12 ZINC001458815452 1067153548 /nfs/dbraw/zinc/15/35/48/1067153548.db2.gz QUZGJHXOYKRZNZ-UHFFFAOYSA-N 0 0 459.344 4.640 20 0 JJADRN CN(C(=O)CSCC(=O)OCc1nc(-c2c(F)cccc2F)cs1)C1CCCCC1 ZINC001458819165 1067154721 /nfs/dbraw/zinc/15/47/21/1067154721.db2.gz SDZGIMFSSWICEQ-UHFFFAOYSA-N 0 0 454.564 4.656 20 0 JJADRN COCCN(C(=O)CCCc1ccc(Br)cc1)c1cccc(Br)n1 ZINC001458819230 1067154865 /nfs/dbraw/zinc/15/48/65/1067154865.db2.gz SIKVESDKHPUXNL-UHFFFAOYSA-N 0 0 456.178 4.609 20 0 JJADRN C[C@@H]1CC=C(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)CC1 ZINC001451242452 1067155142 /nfs/dbraw/zinc/15/51/42/1067155142.db2.gz FNYLOVJGKAUQAW-GOSISDBHSA-N 0 0 456.631 4.977 20 0 JJADRN Cc1ccc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1NC(=O)c1ccco1 ZINC001451247709 1067155559 /nfs/dbraw/zinc/15/55/59/1067155559.db2.gz OQWZYZROFSWUMJ-HSZRJFAPSA-N 0 0 454.473 4.704 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC001458821644 1067156086 /nfs/dbraw/zinc/15/60/86/1067156086.db2.gz OZXIWTCGRABMOL-OAQYLSRUSA-N 0 0 459.468 4.661 20 0 JJADRN O=C(OCc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001458821058 1067156252 /nfs/dbraw/zinc/15/62/52/1067156252.db2.gz YKBHBYHVTUNOCG-MRXNPFEDSA-N 0 0 458.486 4.790 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001546103970 1067156283 /nfs/dbraw/zinc/15/62/83/1067156283.db2.gz CTYLSPDIUZRWFL-IEBWSBKVSA-N 0 0 456.505 4.546 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001546029891 1067157103 /nfs/dbraw/zinc/15/71/03/1067157103.db2.gz UMWROESKKKYQIA-UHFFFAOYSA-N 0 0 455.006 4.626 20 0 JJADRN NC(=O)[C@H]1CC[C@@H](NC(=O)CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC001451290344 1067158066 /nfs/dbraw/zinc/15/80/66/1067158066.db2.gz FPTSCQSQAHHBGL-SQJMNOBHSA-N 0 0 458.627 4.872 20 0 JJADRN CC[C@@](CNC(=O)c1ccccc1CSc1nc(C)cs1)(C(=O)OC)c1ccccc1 ZINC001451309224 1067158651 /nfs/dbraw/zinc/15/86/51/1067158651.db2.gz KQXSROFWMSHLJD-DEOSSOPVSA-N 0 0 454.617 4.995 20 0 JJADRN O=C(CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1)Nc1ccccn1 ZINC001458825943 1067159163 /nfs/dbraw/zinc/15/91/63/1067159163.db2.gz ATCHNKHEQXWZHN-UHFFFAOYSA-N 0 0 451.939 4.626 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nccn3C3CC3)cc2)c(C)c1C ZINC001451323984 1067159313 /nfs/dbraw/zinc/15/93/13/1067159313.db2.gz IMYXXGDTWCRZJU-UHFFFAOYSA-N 0 0 452.580 4.813 20 0 JJADRN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001451325834 1067159349 /nfs/dbraw/zinc/15/93/49/1067159349.db2.gz HXEZQSCNAYZOPX-LEWJYISDSA-N 0 0 454.548 4.761 20 0 JJADRN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001451325848 1067159426 /nfs/dbraw/zinc/15/94/26/1067159426.db2.gz HXEZQSCNAYZOPX-NHCUHLMSSA-N 0 0 454.548 4.761 20 0 JJADRN CC(C)CCC[C@H](C)n1c(=O)c2ccccc2nc1SCc1nnnn1CC(F)(F)F ZINC001458826830 1067159704 /nfs/dbraw/zinc/15/97/04/1067159704.db2.gz PSXKQIYVHIGSQT-AWEZNQCLSA-N 0 0 454.522 4.625 20 0 JJADRN COC(=O)c1cncc(CSc2nc3sc4c(c3c(=O)n2CC(C)C)CC[C@H](C)C4)c1 ZINC001458826864 1067159737 /nfs/dbraw/zinc/15/97/37/1067159737.db2.gz QGNWRULWRHCHAS-AWEZNQCLSA-N 0 0 457.621 4.713 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451326205 1067160243 /nfs/dbraw/zinc/16/02/43/1067160243.db2.gz KCWQLGWXNKRFQD-UHFFFAOYSA-N 0 0 456.562 4.681 20 0 JJADRN Cc1[nH]nc(C(F)F)c1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001545821282 1067160494 /nfs/dbraw/zinc/16/04/94/1067160494.db2.gz YXXTXGGFUBVNIX-UHFFFAOYSA-N 0 0 453.540 4.507 20 0 JJADRN Cn1nc(C2CCCC2)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001458829166 1067160664 /nfs/dbraw/zinc/16/06/64/1067160664.db2.gz XBZGQSHLLLDRGM-NHCUHLMSSA-N 0 0 452.599 4.742 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545821420 1067161318 /nfs/dbraw/zinc/16/13/18/1067161318.db2.gz CLGCPWPAXIGRFM-UZLBHIALSA-N 0 0 460.623 4.691 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)CC(C)(C)C2)on1 ZINC001545821531 1067161589 /nfs/dbraw/zinc/16/15/89/1067161589.db2.gz FWHXOBXRUIDFFD-QGZVFWFLSA-N 0 0 465.602 4.738 20 0 JJADRN CCCCCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O ZINC001458831688 1067161745 /nfs/dbraw/zinc/16/17/45/1067161745.db2.gz ALAXDNJSAWCYLS-QGZVFWFLSA-N 0 0 458.628 4.616 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@]3(CCSC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001451377726 1067161855 /nfs/dbraw/zinc/16/18/55/1067161855.db2.gz JRWZAXHSKJVTLI-YBVWCTEOSA-N 0 0 453.023 4.913 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)on1 ZINC001545821910 1067162305 /nfs/dbraw/zinc/16/23/05/1067162305.db2.gz OOACZXFDGWUMKW-HXUWFJFHSA-N 0 0 479.629 4.900 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)C[C@H](C)c3cccc(F)c3)c2C)c1 ZINC001458833608 1067162309 /nfs/dbraw/zinc/16/23/09/1067162309.db2.gz CQEAQSOWUXPICD-XDHUDOTRSA-N 0 0 451.542 4.731 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)C[C@@H](C)c3cccc(F)c3)c2C)c1 ZINC001458833601 1067162327 /nfs/dbraw/zinc/16/23/27/1067162327.db2.gz CQEAQSOWUXPICD-OSPHWJPCSA-N 0 0 451.542 4.731 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)cc2)cc1 ZINC001451384473 1067162542 /nfs/dbraw/zinc/16/25/42/1067162542.db2.gz IUOGWKHXXAVDMI-QHCPKHFHSA-N 0 0 456.608 4.927 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCN(C(=O)CC3CCCCC3)CC2)on1 ZINC001545822110 1067162952 /nfs/dbraw/zinc/16/29/52/1067162952.db2.gz TXRYVKPYIZKTSE-UHFFFAOYSA-N 0 0 470.662 4.960 20 0 JJADRN CCCn1c(S[C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)nnc1-c1cccc(C)c1 ZINC001458834155 1067162756 /nfs/dbraw/zinc/16/27/56/1067162756.db2.gz HYUMCEAAWHUHRB-OAHLLOKOSA-N 0 0 458.609 4.939 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451389468 1067162809 /nfs/dbraw/zinc/16/28/09/1067162809.db2.gz KBXKEOWTZQZLEY-BJKOFHAPSA-N 0 0 469.601 4.570 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451387870 1067163043 /nfs/dbraw/zinc/16/30/43/1067163043.db2.gz INSIVFOELJUERK-AZIXLERZSA-N 0 0 481.568 4.553 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458835144 1067163638 /nfs/dbraw/zinc/16/36/38/1067163638.db2.gz GKAXDVLOWKUQPB-FDDCHVKYSA-N 0 0 454.933 4.910 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)cc1 ZINC001458835632 1067164333 /nfs/dbraw/zinc/16/43/33/1067164333.db2.gz GVEOLVADNSUCEV-RTBURBONSA-N 0 0 458.624 4.654 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@H]1CCCOC1 ZINC001458836383 1067164337 /nfs/dbraw/zinc/16/43/37/1067164337.db2.gz HOCINGRXLZHYBQ-HJPURHCSSA-N 0 0 452.938 4.643 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@@H]1CCCOC1 ZINC001458836397 1067164934 /nfs/dbraw/zinc/16/49/34/1067164934.db2.gz HOCINGRXLZHYBQ-MWTRTKDXSA-N 0 0 452.938 4.643 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)cc21 ZINC001451401740 1067164895 /nfs/dbraw/zinc/16/48/95/1067164895.db2.gz OCYMHCBTXQVFBM-GHTZIAJQSA-N 0 0 455.505 4.887 20 0 JJADRN COC(=O)C(C)(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC001458837263 1067165490 /nfs/dbraw/zinc/16/54/90/1067165490.db2.gz YKIDMVROOFISFR-UHFFFAOYSA-N 0 0 456.633 4.871 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](C)(C(=O)NC)C2)on1 ZINC001545823237 1067165671 /nfs/dbraw/zinc/16/56/71/1067165671.db2.gz FQIZDCZJJOQQIN-DEOSSOPVSA-N 0 0 488.995 4.640 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](C)(CC)C2)on1 ZINC001545823329 1067166385 /nfs/dbraw/zinc/16/63/85/1067166385.db2.gz IUTQAUMQIXWRDR-VWLOTQADSA-N 0 0 485.654 4.915 20 0 JJADRN COc1ccc(C)cc1-n1c(SC[C@@H](C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O ZINC001458839056 1067166802 /nfs/dbraw/zinc/16/68/02/1067166802.db2.gz YMHRTFBZTKWGRP-MRXNPFEDSA-N 0 0 455.580 4.708 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)NCc4cnccc4C(C)(C)C)cc3C2=O)cc1 ZINC001451409100 1067166920 /nfs/dbraw/zinc/16/69/20/1067166920.db2.gz AEDVETGPAAEQPG-UHFFFAOYSA-N 0 0 457.530 4.508 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(OC(C)(C)C)cn2)C[C@H]1c1ccccc1F ZINC001451410552 1067167445 /nfs/dbraw/zinc/16/74/45/1067167445.db2.gz JTHXLRDTSSFMAH-GHTZIAJQSA-N 0 0 457.546 4.531 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cnc2ccc(Br)cc2c1=O ZINC001458839984 1067167389 /nfs/dbraw/zinc/16/73/89/1067167389.db2.gz XNZHJCGRGBRWGP-UHFFFAOYSA-N 0 0 457.759 4.722 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC)cc3)nnc2N(C)CC2COC(C)(C)OC2)on1 ZINC001545823579 1067167413 /nfs/dbraw/zinc/16/74/13/1067167413.db2.gz QUFKVVMUTCCTLJ-UHFFFAOYSA-N 0 0 483.613 4.729 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1c1ccccc1F ZINC001451411304 1067168136 /nfs/dbraw/zinc/16/81/36/1067168136.db2.gz NESUWTAPLCBBGC-WQCNXYOZSA-N 0 0 474.495 4.535 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)on1 ZINC001545823726 1067168164 /nfs/dbraw/zinc/16/81/64/1067168164.db2.gz WOGVSSNOTSSIJD-ROUUACIJSA-N 0 0 485.654 4.771 20 0 JJADRN Cc1ccc(OCCC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001451412521 1067168466 /nfs/dbraw/zinc/16/84/66/1067168466.db2.gz RLXWRAGDPCLFGP-RBBKRZOGSA-N 0 0 456.558 4.731 20 0 JJADRN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(Cl)c3Br)C2=O)cc1 ZINC001458842453 1067168612 /nfs/dbraw/zinc/16/86/12/1067168612.db2.gz AVQYAJGQPLJXOM-FQEVSTJZSA-N 0 0 451.748 4.554 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823808 1067168784 /nfs/dbraw/zinc/16/87/84/1067168784.db2.gz ZTTMVZQJECAHGN-HTAPYJJXSA-N 0 0 495.628 4.629 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(OC)CC2)on1 ZINC001545824630 1067169358 /nfs/dbraw/zinc/16/93/58/1067169358.db2.gz FDLOITLHKHZUOL-VWLOTQADSA-N 0 0 452.603 4.599 20 0 JJADRN Cc1cccc(OCCC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001451413333 1067169309 /nfs/dbraw/zinc/16/93/09/1067169309.db2.gz VOTCRXMLZKPFAA-RBBKRZOGSA-N 0 0 456.558 4.731 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(Cc3ccccc3)o2)C[C@H]1c1ccccc1F ZINC001451413847 1067169360 /nfs/dbraw/zinc/16/93/60/1067169360.db2.gz XLORHYURNDGGPO-RBBKRZOGSA-N 0 0 465.525 4.537 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC001451413346 1067169382 /nfs/dbraw/zinc/16/93/82/1067169382.db2.gz VQVZCCSMLMUSNN-PZJWPPBQSA-N 0 0 460.521 4.642 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)N3CCC(Oc4cccc(Br)c4)CC3)ccn2)C1 ZINC001458842811 1067169373 /nfs/dbraw/zinc/16/93/73/1067169373.db2.gz ZVNNOAVINMZOGO-KRWDZBQOSA-N 0 0 458.400 4.764 20 0 JJADRN Cc1cc(Br)cc(NC(=O)COCc2ccccn2)c1NC(=O)OC(C)(C)C ZINC001458845804 1067169760 /nfs/dbraw/zinc/16/97/60/1067169760.db2.gz GBANTFVLWQPVLP-UHFFFAOYSA-N 0 0 450.333 4.655 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(COC)CC2)on1 ZINC001545824825 1067169829 /nfs/dbraw/zinc/16/98/29/1067169829.db2.gz KXJDNGZNZSMHFP-UHFFFAOYSA-N 0 0 455.578 4.811 20 0 JJADRN O=C(NC[C@@H](O)c1ccccc1Br)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001451415176 1067169872 /nfs/dbraw/zinc/16/98/72/1067169872.db2.gz SLEOTJBCWVOERP-QGZVFWFLSA-N 0 0 458.274 4.619 20 0 JJADRN COCc1nc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccccc2)s1 ZINC001458845648 1067169904 /nfs/dbraw/zinc/16/99/04/1067169904.db2.gz AXAHWJLPCMBMGV-OAHLLOKOSA-N 0 0 450.486 4.649 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)on1 ZINC001545824929 1067170490 /nfs/dbraw/zinc/17/04/90/1067170490.db2.gz NLQGQBAHBBMNPZ-UHFFFAOYSA-N 0 0 498.697 4.954 20 0 JJADRN Cc1cc(CCC(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)ccc1Br ZINC001458846275 1067170502 /nfs/dbraw/zinc/17/05/02/1067170502.db2.gz ZXRMOYRAVMDNEW-UHFFFAOYSA-N 0 0 451.792 4.814 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)C1 ZINC001451430633 1067170742 /nfs/dbraw/zinc/17/07/42/1067170742.db2.gz BSWXQZKLJRSZLN-NFBKMPQASA-N 0 0 453.583 4.606 20 0 JJADRN CCC(CC)c1cc(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@@H](C)C2)on1 ZINC001545825114 1067171080 /nfs/dbraw/zinc/17/10/80/1067171080.db2.gz SMHUGMZQYWPKPK-SFHVURJKSA-N 0 0 455.628 4.781 20 0 JJADRN CCC(CC)c1cc(Cn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C)C2)on1 ZINC001545825113 1067171189 /nfs/dbraw/zinc/17/11/89/1067171189.db2.gz SMHUGMZQYWPKPK-GOSISDBHSA-N 0 0 455.628 4.781 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)on1 ZINC001545825258 1067171578 /nfs/dbraw/zinc/17/15/78/1067171578.db2.gz XFUCSQIQSVDJGT-GOSISDBHSA-N 0 0 467.614 4.821 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)on1 ZINC001545825191 1067171666 /nfs/dbraw/zinc/17/16/66/1067171666.db2.gz VSIMRAJZKNZHIB-IBGZPJMESA-N 0 0 455.525 4.718 20 0 JJADRN COc1cccc(N(CC(=O)Nc2ccc(Oc3cccnc3)nc2)C(=O)OC(C)(C)C)c1 ZINC001451439741 1067172029 /nfs/dbraw/zinc/17/20/29/1067172029.db2.gz OUWNYOHNUWZDKF-UHFFFAOYSA-N 0 0 450.495 4.658 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC001451435446 1067172085 /nfs/dbraw/zinc/17/20/85/1067172085.db2.gz ZNCXNMVTKGFATD-UHFFFAOYSA-N 0 0 455.514 4.531 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@H]2CCOC2)on1 ZINC001545825346 1067172171 /nfs/dbraw/zinc/17/21/71/1067172171.db2.gz ZVGUHSXHDRYIIZ-FQEVSTJZSA-N 0 0 453.587 4.639 20 0 JJADRN CCC(CC)(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)C(=O)OC ZINC001458851566 1067172486 /nfs/dbraw/zinc/17/24/86/1067172486.db2.gz ILBBJEWPAAGOGP-QGZVFWFLSA-N 0 0 452.576 4.646 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCO[C@H]1CCCC[C@H]1C)n2CC ZINC001458851247 1067172497 /nfs/dbraw/zinc/17/24/97/1067172497.db2.gz FIMLOYFVLXTISI-UTKZUKDTSA-N 0 0 453.674 4.774 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1CCN1CCc2sccc2C1 ZINC001545826093 1067172647 /nfs/dbraw/zinc/17/26/47/1067172647.db2.gz FMWIGSKEFNOXHR-IBGZPJMESA-N 0 0 480.682 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCc1csc(C)n1 ZINC001545826134 1067172687 /nfs/dbraw/zinc/17/26/87/1067172687.db2.gz GSBDCNYISJYPSJ-CQSZACIVSA-N 0 0 476.597 4.680 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)c1 ZINC001458852777 1067173068 /nfs/dbraw/zinc/17/30/68/1067173068.db2.gz PNVMYGCNGSDURK-XMMPIXPASA-N 0 0 451.592 4.866 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H](C)c1c(C)noc1C ZINC001545826293 1067173306 /nfs/dbraw/zinc/17/33/06/1067173306.db2.gz JWWVWYXIXUNEBG-NVXWUHKLSA-N 0 0 470.593 4.942 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001451460286 1067173361 /nfs/dbraw/zinc/17/33/61/1067173361.db2.gz JISNYVKFOZWWHJ-LJQANCHMSA-N 0 0 453.892 4.936 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001546031359 1067173393 /nfs/dbraw/zinc/17/33/93/1067173393.db2.gz DZYOFRKYBVKNAH-QFIPXVFZSA-N 0 0 465.598 4.558 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2oc(SCc3csc(CCc4ccccc4)n3)nc2c1 ZINC001458854144 1067173795 /nfs/dbraw/zinc/17/37/95/1067173795.db2.gz TYZDOKWJWMSETP-UHFFFAOYSA-N 0 0 459.618 4.612 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C(F)(F)F)CC[C@H]3C)cc2)cc1 ZINC001458852801 1067173840 /nfs/dbraw/zinc/17/38/40/1067173840.db2.gz FZMUYFHECNCQAJ-AEFFLSMTSA-N 0 0 454.514 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC(C)(C)c1ccccn1 ZINC001545826394 1067173931 /nfs/dbraw/zinc/17/39/31/1067173931.db2.gz LXGYPJKQHOUVPB-GOSISDBHSA-N 0 0 466.605 4.906 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001545826454 1067174498 /nfs/dbraw/zinc/17/44/98/1067174498.db2.gz MZXHILWWVZRWKV-OAHLLOKOSA-N 0 0 479.503 4.934 20 0 JJADRN COC(=O)C1(CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)CCOCC1 ZINC001458857092 1067175004 /nfs/dbraw/zinc/17/50/04/1067175004.db2.gz HVNJELXGVYFDEC-UHFFFAOYSA-N 0 0 457.983 4.958 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCO[C@@H](C(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)on1 ZINC001545826555 1067175073 /nfs/dbraw/zinc/17/50/73/1067175073.db2.gz PQIMFHBMLFOMIE-GJZUVCINSA-N 0 0 489.661 4.510 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCSC[C@H]2C)on1 ZINC001545826666 1067175106 /nfs/dbraw/zinc/17/51/06/1067175106.db2.gz RKVKQUILOCSQSR-MRXNPFEDSA-N 0 0 459.591 4.878 20 0 JJADRN COC1(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC001451486778 1067175294 /nfs/dbraw/zinc/17/52/94/1067175294.db2.gz NGAXHAYJQXJMGI-XMMPIXPASA-N 0 0 450.579 4.625 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ncc(Br)s3)n2N)c1 ZINC001458860509 1067176179 /nfs/dbraw/zinc/17/61/79/1067176179.db2.gz LWIPEHTYHOHCQZ-UHFFFAOYSA-N 0 0 454.419 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1Cc1ccc2c(n1)CCCC2 ZINC001545826772 1067176279 /nfs/dbraw/zinc/17/62/79/1067176279.db2.gz TUBVLPZWGYHDEJ-QGZVFWFLSA-N 0 0 496.606 4.994 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)CC12CCOCC2 ZINC001451523764 1067176556 /nfs/dbraw/zinc/17/65/56/1067176556.db2.gz OBNHAVMVTKPUON-JOCHJYFZSA-N 0 0 459.633 4.519 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1Cc2ccccc2OC[C@H]1C ZINC001458863313 1067177321 /nfs/dbraw/zinc/17/73/21/1067177321.db2.gz MAZFCEFKGKZWPH-OAHLLOKOSA-N 0 0 454.368 4.734 20 0 JJADRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001451530728 1067177284 /nfs/dbraw/zinc/17/72/84/1067177284.db2.gz QRPVCHBSRWKBEI-HXUWFJFHSA-N 0 0 454.980 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1Cc1ccc(OC)nc1 ZINC001545827074 1067177744 /nfs/dbraw/zinc/17/77/44/1067177744.db2.gz ZRFNWCCAMQROJT-QGZVFWFLSA-N 0 0 476.581 4.592 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC001451548656 1067177932 /nfs/dbraw/zinc/17/79/32/1067177932.db2.gz IVAYBZPWEMJMOR-NSHDSACASA-N 0 0 459.768 4.618 20 0 JJADRN O=C1[C@@H](Sc2nnc(COc3ccc(Cl)cc3Cl)o2)CCN1c1ccc(F)cc1 ZINC001458864390 1067177871 /nfs/dbraw/zinc/17/78/71/1067177871.db2.gz XAQJVGZOQGQOEO-INIZCTEOSA-N 0 0 454.310 4.992 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001545827761 1067177904 /nfs/dbraw/zinc/17/79/04/1067177904.db2.gz AHSVVTZUQONAJM-KRWDZBQOSA-N 0 0 466.655 4.902 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1cc(Cl)ccc1Cl ZINC001458865562 1067178346 /nfs/dbraw/zinc/17/83/46/1067178346.db2.gz QTMKPCDDHCADND-UHFFFAOYSA-N 0 0 456.391 4.844 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)OCc2cc(Cl)ccc2Cl)c1 ZINC001458865573 1067178367 /nfs/dbraw/zinc/17/83/67/1067178367.db2.gz RERFLTKBLNEEFB-UHFFFAOYSA-N 0 0 452.153 4.907 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3OCC)cc2)cc1 ZINC001545829094 1067179158 /nfs/dbraw/zinc/17/91/58/1067179158.db2.gz OFYBUKLCDVTXIV-UHFFFAOYSA-N 0 0 454.548 4.561 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001451575204 1067179232 /nfs/dbraw/zinc/17/92/32/1067179232.db2.gz KKEHBZTWLWOPCA-WIYYLYMNSA-N 0 0 451.567 4.671 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC001451572661 1067179254 /nfs/dbraw/zinc/17/92/54/1067179254.db2.gz GCUSKKBXNLYDBW-PKOBYXMFSA-N 0 0 453.421 4.972 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC001451576101 1067179259 /nfs/dbraw/zinc/17/92/59/1067179259.db2.gz MNHAIKBGUANLMX-HOCLYGCPSA-N 0 0 457.434 4.741 20 0 JJADRN C[C@@H]1COc2ccccc2CN1C(=O)c1cccn1-c1cccc(I)c1 ZINC001458867484 1067179508 /nfs/dbraw/zinc/17/95/08/1067179508.db2.gz UMTAYJQALIKRNX-OAHLLOKOSA-N 0 0 458.299 4.505 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1C[C@@H](C)c1c(C)noc1C ZINC001545829805 1067180500 /nfs/dbraw/zinc/18/05/00/1067180500.db2.gz HBBHNNRTKNVUHK-ZHRRBRCNSA-N 0 0 464.614 4.729 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545830303 1067180863 /nfs/dbraw/zinc/18/08/63/1067180863.db2.gz QZUUHBMYCSNXJS-DENIHFKCSA-N 0 0 467.658 4.952 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 ZINC001451601768 1067180880 /nfs/dbraw/zinc/18/08/80/1067180880.db2.gz YUKRBORLTROXNL-BBRMVZONSA-N 0 0 453.461 4.784 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br)CC(F)(F)F ZINC001451627838 1067180974 /nfs/dbraw/zinc/18/09/74/1067180974.db2.gz BURIDWOCTDWQRM-RISCZKNCSA-N 0 0 453.299 4.720 20 0 JJADRN CCOC(=O)CCCNC(=O)CSc1nc2ccccc2c(Nc2ccccc2Cl)n1 ZINC001458871380 1067181003 /nfs/dbraw/zinc/18/10/03/1067181003.db2.gz HGCXXXSYGCHZGY-UHFFFAOYSA-N 0 0 458.971 4.578 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001451640368 1067181657 /nfs/dbraw/zinc/18/16/57/1067181657.db2.gz KAJWSZHSQUKDNX-UYAOXDASSA-N 0 0 454.652 4.922 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C1 ZINC001451636173 1067181868 /nfs/dbraw/zinc/18/18/68/1067181868.db2.gz FXWYPGATRUXWJU-CQSZACIVSA-N 0 0 453.370 4.548 20 0 JJADRN COc1ccc(CN(C)C(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1Cl ZINC001451645221 1067182195 /nfs/dbraw/zinc/18/21/95/1067182195.db2.gz ZEFWHMUGTNTIOZ-UHFFFAOYSA-N 0 0 456.999 4.643 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)c2ccccc21 ZINC001545832884 1067182991 /nfs/dbraw/zinc/18/29/91/1067182991.db2.gz DSVUMDVJVBYQFY-MRXNPFEDSA-N 0 0 455.555 4.540 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c2ccccc21 ZINC001545832943 1067183007 /nfs/dbraw/zinc/18/30/07/1067183007.db2.gz GURTYKCEBVQIFP-SJLPKXTDSA-N 0 0 455.396 4.773 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)C1 ZINC001451651926 1067183086 /nfs/dbraw/zinc/18/30/86/1067183086.db2.gz GPMFOKVTRIJSJS-LJQANCHMSA-N 0 0 456.533 4.576 20 0 JJADRN Cc1cc(C)c(Nc2nnc(SCCNS(=O)(=O)c3ccccc3)s2)c(Cl)c1 ZINC001458877065 1067183172 /nfs/dbraw/zinc/18/31/72/1067183172.db2.gz GMPCAKZFQSEAQG-UHFFFAOYSA-N 0 0 455.030 4.623 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC001458875778 1067183184 /nfs/dbraw/zinc/18/31/84/1067183184.db2.gz JZVOCKAGGFPADV-MRXNPFEDSA-N 0 0 454.411 4.930 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1CCc1nc(C(C)(C)C)cs1 ZINC001545833554 1067183578 /nfs/dbraw/zinc/18/35/78/1067183578.db2.gz BMZMFSSAAITBNM-UHFFFAOYSA-N 0 0 489.715 4.595 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)CC1=O ZINC001451657222 1067183665 /nfs/dbraw/zinc/18/36/65/1067183665.db2.gz WMVTZUWLAHBDJQ-PCCBWWKXSA-N 0 0 456.627 4.914 20 0 JJADRN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)s2)cc1Cl ZINC001458877183 1067183815 /nfs/dbraw/zinc/18/38/15/1067183815.db2.gz HNMSRLZUWVJXOW-GFCCVEGCSA-N 0 0 454.021 4.883 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1COc1ccc(Cl)cc1C(N)=O ZINC001458877913 1067183830 /nfs/dbraw/zinc/18/38/30/1067183830.db2.gz XZEQMBFALLMBMG-UHFFFAOYSA-N 0 0 452.688 4.703 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1CC1(OC)CCC(C)CC1 ZINC001545833845 1067184342 /nfs/dbraw/zinc/18/43/42/1067184342.db2.gz MKPZMZCUEJVXNZ-UHFFFAOYSA-N 0 0 473.637 4.876 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CCCC(F)(F)F ZINC001545834055 1067184599 /nfs/dbraw/zinc/18/45/99/1067184599.db2.gz VOULBBLBNUHKQK-UHFFFAOYSA-N 0 0 463.907 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001545834030 1067184724 /nfs/dbraw/zinc/18/47/24/1067184724.db2.gz UODDOLYTFVCMIU-QUCCMNQESA-N 0 0 481.563 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001545834029 1067184735 /nfs/dbraw/zinc/18/47/35/1067184735.db2.gz UODDOLYTFVCMIU-ICSRJNTNSA-N 0 0 481.563 4.671 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c2c(n1)onc2C(C)C ZINC001458879841 1067184795 /nfs/dbraw/zinc/18/47/95/1067184795.db2.gz OSTUVSYFPNPQKH-UHFFFAOYSA-N 0 0 454.527 4.810 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1Cc1ccncc1Cl ZINC001545834855 1067185422 /nfs/dbraw/zinc/18/54/22/1067185422.db2.gz CEIVGQVPFMGYHT-UHFFFAOYSA-N 0 0 494.949 4.948 20 0 JJADRN CON1CCC(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)CC1 ZINC001451674611 1067185484 /nfs/dbraw/zinc/18/54/84/1067185484.db2.gz GWONNUXIZBMBSH-UHFFFAOYSA-N 0 0 453.395 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H](C)c1cccc(C)c1 ZINC001545834995 1067185876 /nfs/dbraw/zinc/18/58/76/1067185876.db2.gz ICLLBIBDXMBMIP-SFHVURJKSA-N 0 0 469.033 4.993 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)c3ccc4c(c3)[C@@H](CNC(=O)OC(C)(C)C)CCC4)cc2C1 ZINC001458883141 1067186122 /nfs/dbraw/zinc/18/61/22/1067186122.db2.gz WYKGCPNJRBGPPR-OFNKIYASSA-N 0 0 450.579 4.997 20 0 JJADRN O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CCc2cc(Br)ccc2C1 ZINC001458883692 1067186167 /nfs/dbraw/zinc/18/61/67/1067186167.db2.gz BDDGHTQNKKXLQH-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC001451687478 1067186365 /nfs/dbraw/zinc/18/63/65/1067186365.db2.gz GRVDJNPANYMPRW-KBPBESRZSA-N 0 0 456.808 4.960 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1oc2ccccc2c1OC ZINC001545835159 1067186515 /nfs/dbraw/zinc/18/65/15/1067186515.db2.gz NAKMPBHPEOZOSC-UHFFFAOYSA-N 0 0 496.999 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545835093 1067186597 /nfs/dbraw/zinc/18/65/97/1067186597.db2.gz LERMRRNUPZZYPA-UUOWRZLLSA-N 0 0 480.028 4.973 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC4(CCN4C(=O)OC(C)(C)C)CC3)c2)cs1 ZINC001451697916 1067186933 /nfs/dbraw/zinc/18/69/33/1067186933.db2.gz GJKDUZHEGOMQLU-UHFFFAOYSA-N 0 0 457.596 4.646 20 0 JJADRN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C1 ZINC001451693469 1067186982 /nfs/dbraw/zinc/18/69/82/1067186982.db2.gz FTHWXLVONPWXJD-PKOBYXMFSA-N 0 0 455.574 4.856 20 0 JJADRN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C1 ZINC001451693463 1067187062 /nfs/dbraw/zinc/18/70/62/1067187062.db2.gz FTHWXLVONPWXJD-IEBWSBKVSA-N 0 0 455.574 4.856 20 0 JJADRN NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458889087 1067187251 /nfs/dbraw/zinc/18/72/51/1067187251.db2.gz PFKSCAOKTLKZTI-SFHVURJKSA-N 0 0 458.465 4.735 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(SC[C@@](C)(O)C(F)F)n(-c4ccccc4F)c(=O)c23)C1 ZINC001458888385 1067187300 /nfs/dbraw/zinc/18/73/00/1067187300.db2.gz OFFLLNLATIYGFB-WSVYEEACSA-N 0 0 454.539 4.819 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(SC[C@](C)(O)C(F)F)n(-c4ccccc4F)c(=O)c23)C1 ZINC001458888366 1067187381 /nfs/dbraw/zinc/18/73/81/1067187381.db2.gz OFFLLNLATIYGFB-FIKIJFGZSA-N 0 0 454.539 4.819 20 0 JJADRN COc1cccc2c1ncc(C)c2NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001458890877 1067187628 /nfs/dbraw/zinc/18/76/28/1067187628.db2.gz IJSSLHIHVITLPC-INIZCTEOSA-N 0 0 457.452 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001545835429 1067187636 /nfs/dbraw/zinc/18/76/36/1067187636.db2.gz XXRNXVRPZGNGLZ-CVDCTZTESA-N 0 0 480.078 4.753 20 0 JJADRN CCn1c(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)nnc1-c1cccc(Cl)c1 ZINC001458892155 1067187737 /nfs/dbraw/zinc/18/77/37/1067187737.db2.gz DSOFAYUNZMQGOH-INIZCTEOSA-N 0 0 454.905 4.826 20 0 JJADRN CCn1c(S[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)nnc1-c1cccc(Cl)c1 ZINC001458892158 1067187749 /nfs/dbraw/zinc/18/77/49/1067187749.db2.gz DSOFAYUNZMQGOH-MRXNPFEDSA-N 0 0 454.905 4.826 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N(C)CCCNC(=O)C2CCC2)cc1 ZINC001458890113 1067187753 /nfs/dbraw/zinc/18/77/53/1067187753.db2.gz FCKNZTRUZZAVFU-UHFFFAOYSA-N 0 0 458.606 4.789 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)cc2)n1CC1CCC(F)(F)CC1 ZINC001545836124 1067188496 /nfs/dbraw/zinc/18/84/96/1067188496.db2.gz CHAMJTCATQVNLK-UHFFFAOYSA-N 0 0 463.573 4.667 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001451727786 1067188522 /nfs/dbraw/zinc/18/85/22/1067188522.db2.gz CWHDZFRSMNYEQE-IBGZPJMESA-N 0 0 450.373 4.633 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451733402 1067188819 /nfs/dbraw/zinc/18/88/19/1067188819.db2.gz JFGWOJMFCQMEHF-GMAHTHKFSA-N 0 0 454.014 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001545836239 1067188985 /nfs/dbraw/zinc/18/89/85/1067188985.db2.gz GYOBKIPFPWQAFB-ZJSXRUAMSA-N 0 0 499.700 4.991 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)COCCO2)C1 ZINC001546104555 1067188980 /nfs/dbraw/zinc/18/89/80/1067188980.db2.gz AZOFALXISUCYQW-OAQYLSRUSA-N 0 0 481.410 4.669 20 0 JJADRN O[C@@H](CSc1nc(CN2CCOCC2)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC001458895467 1067188988 /nfs/dbraw/zinc/18/89/88/1067188988.db2.gz WHRYEKZDFGOZEF-IBGZPJMESA-N 0 0 450.391 4.595 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c2c(CC(C)(C)C)noc2n1 ZINC001451735918 1067189613 /nfs/dbraw/zinc/18/96/13/1067189613.db2.gz GEODILHQHAAJEY-CRAIPNDOSA-N 0 0 458.603 4.892 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001451737025 1067189645 /nfs/dbraw/zinc/18/96/45/1067189645.db2.gz HEYVDRKUGRRSKN-MTQWCTHYSA-N 0 0 467.651 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1Cc1nc(C(F)(F)F)cs1 ZINC001545836537 1067189651 /nfs/dbraw/zinc/18/96/51/1067189651.db2.gz PZGICWCMIONFKG-UHFFFAOYSA-N 0 0 480.560 4.665 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Br ZINC001451735102 1067189712 /nfs/dbraw/zinc/18/97/12/1067189712.db2.gz HMYHACDFUUFYKE-YLJYHZDGSA-N 0 0 455.318 4.876 20 0 JJADRN CCCC[C@H](CC)Cn1c(SC[C@]2(C)NC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 ZINC001458897149 1067189706 /nfs/dbraw/zinc/18/97/06/1067189706.db2.gz ZGYUYPRUDKPYAP-QKKBWIMNSA-N 0 0 450.008 4.505 20 0 JJADRN COc1ccc(CCC(=O)N2CCc3cc(Br)cc(F)c32)cc1Br ZINC001458897498 1067189720 /nfs/dbraw/zinc/18/97/20/1067189720.db2.gz XKKWHLXHVWXFPX-UHFFFAOYSA-N 0 0 457.137 4.881 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001451737040 1067189803 /nfs/dbraw/zinc/18/98/03/1067189803.db2.gz HEYVDRKUGRRSKN-UAFMIMERSA-N 0 0 467.651 4.564 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3ccc(C(C)=O)c(C)n3)c3ccccc3n2)cc1OC ZINC001545836903 1067190882 /nfs/dbraw/zinc/19/08/82/1067190882.db2.gz FCJXIYMTECDJJV-UHFFFAOYSA-N 0 0 455.514 4.755 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC[C@H]2Cc2ccccc2Br)C1 ZINC001451743295 1067190975 /nfs/dbraw/zinc/19/09/75/1067190975.db2.gz ZNSSGEXJSIEFCS-ADKAHSJRSA-N 0 0 451.405 4.628 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)c2cnn(-c3cccc(Br)c3)c2C)n[nH]1 ZINC001545836984 1067190977 /nfs/dbraw/zinc/19/09/77/1067190977.db2.gz HVRWRKGLYJZAHS-UHFFFAOYSA-N 0 0 451.328 4.543 20 0 JJADRN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451746782 1067191357 /nfs/dbraw/zinc/19/13/57/1067191357.db2.gz SYJKTFKGHUIJTD-DZTNWFRXSA-N 0 0 454.998 4.558 20 0 JJADRN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451746798 1067191431 /nfs/dbraw/zinc/19/14/31/1067191431.db2.gz SYJKTFKGHUIJTD-UDJSKEQPSA-N 0 0 454.998 4.558 20 0 JJADRN CN(CCC1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001545838137 1067191404 /nfs/dbraw/zinc/19/14/04/1067191404.db2.gz CSNHIHLRLXHGGM-LEWJYISDSA-N 0 0 481.678 4.956 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nccc(C)n1 ZINC001451805656 1067192488 /nfs/dbraw/zinc/19/24/88/1067192488.db2.gz WJDLZRSVOSWJHC-CLYVBNDRSA-N 0 0 458.562 4.670 20 0 JJADRN Cc1cc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)nn1CC(F)(F)F ZINC001451806468 1067192584 /nfs/dbraw/zinc/19/25/84/1067192584.db2.gz JAFMHAGKWAQPFI-UHFFFAOYSA-N 0 0 456.266 4.571 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001458907800 1067192610 /nfs/dbraw/zinc/19/26/10/1067192610.db2.gz KJCZXVGKMPFLGE-RUZDIDTESA-N 0 0 452.551 4.654 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545838968 1067192723 /nfs/dbraw/zinc/19/27/23/1067192723.db2.gz KKQCIRHNFOIWIU-UHFFFAOYSA-N 0 0 465.545 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001545839135 1067192734 /nfs/dbraw/zinc/19/27/34/1067192734.db2.gz QYGNSXQVDFGITC-UHFFFAOYSA-N 0 0 457.928 4.519 20 0 JJADRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2C)cc1 ZINC001458909163 1067193022 /nfs/dbraw/zinc/19/30/22/1067193022.db2.gz DASASYBCBMOZOV-UHFFFAOYSA-N 0 0 457.559 4.880 20 0 JJADRN COC(=O)[C@@H]1CCc2sc(NC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)nc2C1 ZINC001451822753 1067193162 /nfs/dbraw/zinc/19/31/62/1067193162.db2.gz HSHBPYVMHWFMBG-GFCCVEGCSA-N 0 0 455.363 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001545839318 1067193194 /nfs/dbraw/zinc/19/31/94/1067193194.db2.gz YLZDGYBDQJOQIG-UHFFFAOYSA-N 0 0 469.527 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001545839294 1067193203 /nfs/dbraw/zinc/19/32/03/1067193203.db2.gz XNRBEOCLMDNISU-HTAPYJJXSA-N 0 0 484.670 4.504 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)c2cc(Br)ccc2N)CC1 ZINC001545839903 1067193226 /nfs/dbraw/zinc/19/32/26/1067193226.db2.gz PEHKILVEJAGIRI-UHFFFAOYSA-N 0 0 452.190 4.988 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@@H](CC(F)(F)F)C3)cc2)cc1 ZINC001451812737 1067193254 /nfs/dbraw/zinc/19/32/54/1067193254.db2.gz VCOYZGOXEDUZJD-KRWDZBQOSA-N 0 0 454.514 4.625 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CCC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545840404 1067193253 /nfs/dbraw/zinc/19/32/53/1067193253.db2.gz CCRWDWCLQQPDIP-UHFFFAOYSA-N 0 0 452.628 4.605 20 0 JJADRN COC(=O)c1sc2cccc(F)c2c1COc1ccc(C(=O)OC)cc1Br ZINC001458909262 1067193740 /nfs/dbraw/zinc/19/37/40/1067193740.db2.gz TZMGOGWSBCEUEE-UHFFFAOYSA-N 0 0 453.285 4.955 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451856188 1067194048 /nfs/dbraw/zinc/19/40/48/1067194048.db2.gz YGCPCPNYDSOEHG-SLFFLAALSA-N 0 0 450.579 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1Cc1ncccc1C ZINC001545840485 1067193927 /nfs/dbraw/zinc/19/39/27/1067193927.db2.gz DTXGJEIBFBGTSG-WIOPSUGQSA-N 0 0 490.652 4.552 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1Cc1ncccc1C ZINC001545840484 1067193956 /nfs/dbraw/zinc/19/39/56/1067193956.db2.gz DTXGJEIBFBGTSG-RDGATRHJSA-N 0 0 490.652 4.552 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545841815 1067194521 /nfs/dbraw/zinc/19/45/21/1067194521.db2.gz BNAVPBFXUBGWCO-PXNSSMCTSA-N 0 0 480.579 4.954 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001451858950 1067194592 /nfs/dbraw/zinc/19/45/92/1067194592.db2.gz PLDDKZZRZXGVPL-HXUWFJFHSA-N 0 0 450.608 4.792 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001451859199 1067194654 /nfs/dbraw/zinc/19/46/54/1067194654.db2.gz QSYRQWYQDWMTTO-BLLMLAHUSA-N 0 0 479.662 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 ZINC001545842395 1067195108 /nfs/dbraw/zinc/19/51/08/1067195108.db2.gz WXYNOLGIKNHMOP-UHFFFAOYSA-N 0 0 494.043 4.533 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC001451861445 1067195184 /nfs/dbraw/zinc/19/51/84/1067195184.db2.gz VTFNKPDJZLJQBG-NRFANRHFSA-N 0 0 450.608 4.597 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001451861300 1067195370 /nfs/dbraw/zinc/19/53/70/1067195370.db2.gz UYQOVLSRWRQJLZ-SELNLUPBSA-N 0 0 456.627 4.926 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2snnc2C)C1 ZINC001546104677 1067195301 /nfs/dbraw/zinc/19/53/01/1067195301.db2.gz FORGPCROMUBEAF-UHFFFAOYSA-N 0 0 461.433 4.932 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC(C)C)C(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001545843721 1067195632 /nfs/dbraw/zinc/19/56/32/1067195632.db2.gz GUKQVMWQCWHCFU-TZIWHRDSSA-N 0 0 492.709 4.713 20 0 JJADRN O=Cc1ccc(OC(F)(F)C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1 ZINC001451877389 1067195796 /nfs/dbraw/zinc/19/57/96/1067195796.db2.gz PESBKMUSLIAQHZ-GOSISDBHSA-N 0 0 452.295 4.857 20 0 JJADRN Cc1cc(=O)[nH]c([C@@H](C)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)n1 ZINC001458916786 1067195914 /nfs/dbraw/zinc/19/59/14/1067195914.db2.gz AECOSRFCQHEDQN-OAHLLOKOSA-N 0 0 451.577 4.521 20 0 JJADRN CCOc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(C(F)(F)F)cc4)C3=O)co2)cc1 ZINC001458916690 1067195957 /nfs/dbraw/zinc/19/59/57/1067195957.db2.gz KADQUNVDJIYHBX-JOCHJYFZSA-N 0 0 459.424 4.726 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC(C)C)C(C)C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001545843991 1067196208 /nfs/dbraw/zinc/19/62/08/1067196208.db2.gz PCHDTCNEEKKXPV-UHFFFAOYSA-N 0 0 454.541 4.529 20 0 JJADRN O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918030 1067196392 /nfs/dbraw/zinc/19/63/92/1067196392.db2.gz ZMDLZELRXYGBQG-DEOSSOPVSA-N 0 0 450.579 4.752 20 0 JJADRN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cccc(COc2cccc(F)c2)c1 ZINC001458918032 1067196627 /nfs/dbraw/zinc/19/66/27/1067196627.db2.gz ZMDLZELRXYGBQG-XMMPIXPASA-N 0 0 450.579 4.752 20 0 JJADRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 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/nfs/dbraw/zinc/21/10/34/1067211034.db2.gz KFOJKEFDIXXSIL-RUZDIDTESA-N 0 0 452.620 4.784 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)C1CC1 ZINC001452157960 1067211068 /nfs/dbraw/zinc/21/10/68/1067211068.db2.gz DTGTZHBDLFWBFF-UHFFFAOYSA-N 0 0 453.370 4.699 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001458963800 1067211069 /nfs/dbraw/zinc/21/10/69/1067211069.db2.gz XNDIUKDEQOTOQW-STQMWFEESA-N 0 0 457.304 4.550 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)CSCc1cccnc1)C1CC1 ZINC001458964217 1067211073 /nfs/dbraw/zinc/21/10/73/1067211073.db2.gz RCCPBTGMPMDRQK-HXUWFJFHSA-N 0 0 453.391 4.917 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C ZINC001452165604 1067211590 /nfs/dbraw/zinc/21/15/90/1067211590.db2.gz SAQASUPFLPWTGI-WIYYLYMNSA-N 0 0 451.567 4.591 20 0 JJADRN COc1cccc([C@H]2[C@@H](C(=O)Oc3cc(C)c(Br)c(C)c3)CC(=O)N2C2CC2)c1 ZINC001458965552 1067212080 /nfs/dbraw/zinc/21/20/80/1067212080.db2.gz ZHYJEKDTRLBSRK-UGKGYDQZSA-N 0 0 458.352 4.732 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCCCCC2)C1 ZINC001546105204 1067212097 /nfs/dbraw/zinc/21/20/97/1067212097.db2.gz YWGSJMRSCNMQFC-UHFFFAOYSA-N 0 0 491.478 4.845 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001546105191 1067212111 /nfs/dbraw/zinc/21/21/11/1067212111.db2.gz XXMHPOSPPVLDCE-VWLOTQADSA-N 0 0 478.584 4.692 20 0 JJADRN CCc1cccc(OC)c1COC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC001458967790 1067212519 /nfs/dbraw/zinc/21/25/19/1067212519.db2.gz ZKAYTWXEVFWHLB-UHFFFAOYSA-N 0 0 453.560 4.830 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCc2ccc(Cl)c(Cl)c2)c1 ZINC001546105249 1067213083 /nfs/dbraw/zinc/21/30/83/1067213083.db2.gz ADBBFKKJBBBBKX-UHFFFAOYSA-N 0 0 459.395 4.691 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001458973830 1067214133 /nfs/dbraw/zinc/21/41/33/1067214133.db2.gz CLIUQLMFQNFSNS-MRXNPFEDSA-N 0 0 452.338 4.818 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)Nc3cnc(-c4cccc(C(F)(F)F)c4)cn3)CC2=O)c1C ZINC001458973981 1067214191 /nfs/dbraw/zinc/21/41/91/1067214191.db2.gz LKQQJVRHMRDEJD-KRWDZBQOSA-N 0 0 454.452 4.771 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452226579 1067214764 /nfs/dbraw/zinc/21/47/64/1067214764.db2.gz BNXZOLUYVZAIKX-NTKDMRAZSA-N 0 0 453.627 4.616 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C3CC3)s1)C[C@@H](C)CC2 ZINC001458976845 1067215140 /nfs/dbraw/zinc/21/51/40/1067215140.db2.gz BVIOENIYNUMVLC-QWRGUYRKSA-N 0 0 451.639 4.898 20 0 JJADRN CCOC(=O)c1cn(Cc2cc(-c3ccccc3)no2)c2cc(Br)ccc2c1=O ZINC001458977339 1067215351 /nfs/dbraw/zinc/21/53/51/1067215351.db2.gz CSIGHHDRQZNRLH-UHFFFAOYSA-N 0 0 453.292 4.644 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001546037189 1067215705 /nfs/dbraw/zinc/21/57/05/1067215705.db2.gz WNQCVHAUWWWAON-UTKZUKDTSA-N 0 0 458.603 4.587 20 0 JJADRN C[C@@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)C(=O)NCC1CCCCC1 ZINC001458979246 1067216308 /nfs/dbraw/zinc/21/63/08/1067216308.db2.gz BYFUFEYTWRINBC-OAHLLOKOSA-N 0 0 457.003 4.555 20 0 JJADRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001458978578 1067216319 /nfs/dbraw/zinc/21/63/19/1067216319.db2.gz NKLUSBUGEXGWDK-SNVBAGLBSA-N 0 0 452.870 4.576 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)NCc1ccccc1F)C(C)C ZINC001458980279 1067216795 /nfs/dbraw/zinc/21/67/95/1067216795.db2.gz TYOQOOWYYFPFGY-JOCHJYFZSA-N 0 0 456.587 4.758 20 0 JJADRN O=C1[C@@H](Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CCN1CC(F)(F)F ZINC001458980890 1067217191 /nfs/dbraw/zinc/21/71/91/1067217191.db2.gz VXSPVFMWGVHYPC-INIZCTEOSA-N 0 0 452.889 4.843 20 0 JJADRN CCn1ncc(Cl)c1C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458981924 1067217226 /nfs/dbraw/zinc/21/72/26/1067217226.db2.gz NXXFSZNDQAKKSO-UHFFFAOYSA-N 0 0 458.605 4.537 20 0 JJADRN O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Br)cc1Cl ZINC001458981710 1067217611 /nfs/dbraw/zinc/21/76/11/1067217611.db2.gz NEOCKBMVWOAFRZ-UHFFFAOYSA-N 0 0 450.123 4.700 20 0 JJADRN NC(=O)[C@H](Cc1ccc(F)cc1)Sc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC001458982976 1067218233 /nfs/dbraw/zinc/21/82/33/1067218233.db2.gz BXQPPUXLVGFUKZ-SFHVURJKSA-N 0 0 458.971 4.977 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cs1 ZINC001452277839 1067218269 /nfs/dbraw/zinc/21/82/69/1067218269.db2.gz ZCYXHNYUTZZCSG-FCHUYYIVSA-N 0 0 465.619 4.677 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ncc(C(F)(F)F)cc2Cl)C[C@H]1c1ccccc1 ZINC001452276728 1067218368 /nfs/dbraw/zinc/21/83/68/1067218368.db2.gz LPJYLFJBKXMFKR-JKSUJKDBSA-N 0 0 454.876 4.951 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1)NCc1ccc(F)cc1 ZINC001452286620 1067218816 /nfs/dbraw/zinc/21/88/16/1067218816.db2.gz XWCWVROFHDTZEE-QGZVFWFLSA-N 0 0 455.530 4.647 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)CCc2ccccc2C(F)(F)F)C1)NCc1ccc(F)cc1 ZINC001452287129 1067218925 /nfs/dbraw/zinc/21/89/25/1067218925.db2.gz IHSPHXLHJREGKA-SFHVURJKSA-N 0 0 450.476 4.722 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 ZINC001458985155 1067219147 /nfs/dbraw/zinc/21/91/47/1067219147.db2.gz VHQVQVYMRSXKFC-INIZCTEOSA-N 0 0 455.039 4.645 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2OCCC2(C)C)C1 ZINC001546104893 1067219165 /nfs/dbraw/zinc/21/91/65/1067219165.db2.gz MOXBHBAGUCHUFM-OAQYLSRUSA-N 0 0 472.630 4.803 20 0 JJADRN CCOc1ccc(-n2c(S[C@@H](Cc3ccccc3)C(N)=O)nnc2-c2cccs2)cc1 ZINC001458985616 1067219538 /nfs/dbraw/zinc/21/95/38/1067219538.db2.gz PCCPJFJMYSKZSH-FQEVSTJZSA-N 0 0 450.589 4.583 20 0 JJADRN CCn1c(SCc2ccc(I)cc2Cl)nnc1-c1cccnc1 ZINC001458985364 1067219715 /nfs/dbraw/zinc/21/97/15/1067219715.db2.gz NORNLOSGWUQPNG-UHFFFAOYSA-N 0 0 456.740 4.910 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NCCCOC1CCCCC1 ZINC001458986234 1067220079 /nfs/dbraw/zinc/22/00/79/1067220079.db2.gz RXLKHJLVRSVTRC-UHFFFAOYSA-N 0 0 457.644 4.793 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCC(F)(F)F)C1 ZINC001546104907 1067220116 /nfs/dbraw/zinc/22/01/16/1067220116.db2.gz NBGNSRUHBDSFCO-OAHLLOKOSA-N 0 0 483.604 4.826 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3n[nH]cc3C(=O)OC(C)(C)C)cc12 ZINC001452344565 1067220338 /nfs/dbraw/zinc/22/03/38/1067220338.db2.gz KQMUPROJAWLIRU-UHFFFAOYSA-N 0 0 455.515 4.524 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncco1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452400798 1067221500 /nfs/dbraw/zinc/22/15/00/1067221500.db2.gz GHBUSQVSDAHSPD-WOJBJXKFSA-N 0 0 458.345 4.686 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001546038317 1067221842 /nfs/dbraw/zinc/22/18/42/1067221842.db2.gz JCSPBALQRMTUBM-HXUWFJFHSA-N 0 0 453.631 4.685 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001546038316 1067221901 /nfs/dbraw/zinc/22/19/01/1067221901.db2.gz JCSPBALQRMTUBM-FQEVSTJZSA-N 0 0 453.631 4.685 20 0 JJADRN COC(=O)[C@H](CC(C)C)Sc1nnc(COc2ccc(C)cc2)n1-c1ccc(OC)cc1 ZINC001458993673 1067222510 /nfs/dbraw/zinc/22/25/10/1067222510.db2.gz ILYOXHVJXBKOHZ-NRFANRHFSA-N 0 0 455.580 4.843 20 0 JJADRN CCn1c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)nnc1-c1ccc(C)cc1 ZINC001458992257 1067222561 /nfs/dbraw/zinc/22/25/61/1067222561.db2.gz GUUGPRZBRVIMBX-UHFFFAOYSA-N 0 0 454.556 4.809 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001452421787 1067222842 /nfs/dbraw/zinc/22/28/42/1067222842.db2.gz RTYFOAAUDQUZSA-ZKTNYTPDSA-N 0 0 456.411 4.619 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccnn1C ZINC001458993129 1067222901 /nfs/dbraw/zinc/22/29/01/1067222901.db2.gz LAHYZKPFDIZBGV-AVRDEDQJSA-N 0 0 456.384 4.859 20 0 JJADRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2N)c1 ZINC001458993901 1067222970 /nfs/dbraw/zinc/22/29/70/1067222970.db2.gz XSLZQBIZZBMOSH-NSHDSACASA-N 0 0 455.893 4.759 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001452425883 1067223325 /nfs/dbraw/zinc/22/33/25/1067223325.db2.gz AZYWBURVNBXVST-LJQANCHMSA-N 0 0 459.315 4.877 20 0 JJADRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC001458994956 1067223422 /nfs/dbraw/zinc/22/34/22/1067223422.db2.gz FAOMHJXEPWVPOU-UHFFFAOYSA-N 0 0 459.164 4.536 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N[C@H](c1ccccc1)C1(CO)CCCC1 ZINC001452430482 1067223820 /nfs/dbraw/zinc/22/38/20/1067223820.db2.gz FKKASKDQNWTKNS-HXUWFJFHSA-N 0 0 452.776 4.892 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)cc1Cl ZINC001452434426 1067223887 /nfs/dbraw/zinc/22/38/87/1067223887.db2.gz GRSGEPIPNYFRRC-LJQANCHMSA-N 0 0 452.776 4.671 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001452443159 1067224258 /nfs/dbraw/zinc/22/42/58/1067224258.db2.gz YXUXTOZTLSFLPD-OAQYLSRUSA-N 0 0 454.368 4.863 20 0 JJADRN CCn1c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1 ZINC001458998647 1067224804 /nfs/dbraw/zinc/22/48/04/1067224804.db2.gz QFCLPGXICBDVDO-UHFFFAOYSA-N 0 0 453.955 4.682 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccccc3)C3(CO)CCCCC3)CC2=O)cc1 ZINC001452455711 1067225378 /nfs/dbraw/zinc/22/53/78/1067225378.db2.gz CPLWMBSGYMZDSA-RDPSFJRHSA-N 0 0 452.620 4.562 20 0 JJADRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(Cc2cc(Br)c3ccccc3c2)C1=O ZINC001459000496 1067225705 /nfs/dbraw/zinc/22/57/05/1067225705.db2.gz OMLSMPXTPQMXNV-HSZRJFAPSA-N 0 0 453.336 4.887 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)C3CCC(F)(F)CC3)nnc2-c2cnccn2)cc1 ZINC001459000208 1067225858 /nfs/dbraw/zinc/22/58/58/1067225858.db2.gz NIPGQLJIAPKINW-UHFFFAOYSA-N 0 0 459.522 4.610 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC001452456893 1067225800 /nfs/dbraw/zinc/22/58/00/1067225800.db2.gz MIWLHGIOIWJXII-OAQYLSRUSA-N 0 0 456.384 4.750 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)ccc1F ZINC001546039053 1067226202 /nfs/dbraw/zinc/22/62/02/1067226202.db2.gz KRSIKCLDKQVLLE-ZJSXRUAMSA-N 0 0 452.551 4.788 20 0 JJADRN CCc1c(NC(=O)[C@H](CC)Cc2cccc(Br)c2)nnn1Cc1ccc(F)cc1 ZINC001459001945 1067226252 /nfs/dbraw/zinc/22/62/52/1067226252.db2.gz TTWKBKVNZWHXLG-QGZVFWFLSA-N 0 0 459.363 4.998 20 0 JJADRN CCOc1ccc(-n2c(SCc3ccc(C(F)(F)F)cn3)nnc2-c2cnccn2)cc1 ZINC001459002878 1067226648 /nfs/dbraw/zinc/22/66/48/1067226648.db2.gz SPHKDBINAIHWNJ-UHFFFAOYSA-N 0 0 458.469 4.829 20 0 JJADRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C1 ZINC001452484510 1067226745 /nfs/dbraw/zinc/22/67/45/1067226745.db2.gz PGTPUCNZXRIXCZ-JXFKEZNVSA-N 0 0 458.580 4.831 20 0 JJADRN CCN(CCCSc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)CC(F)(F)F ZINC001459003539 1067227067 /nfs/dbraw/zinc/22/70/67/1067227067.db2.gz XANWNLDLQCDNMF-UHFFFAOYSA-N 0 0 451.518 4.704 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001459003469 1067227107 /nfs/dbraw/zinc/22/71/07/1067227107.db2.gz XRCCMUWODUQJCR-OAQYLSRUSA-N 0 0 452.599 4.567 20 0 JJADRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001452487595 1067227259 /nfs/dbraw/zinc/22/72/59/1067227259.db2.gz VVAQZELVQNSESY-DNVCBOLYSA-N 0 0 450.304 4.605 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001459004071 1067227752 /nfs/dbraw/zinc/22/77/52/1067227752.db2.gz KCNAKJYXKSFBLT-JOCHJYFZSA-N 0 0 451.364 4.666 20 0 JJADRN CC(=O)c1ccc(Br)cc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC001459003824 1067227797 /nfs/dbraw/zinc/22/77/97/1067227797.db2.gz ZIJLDSSXHAKTQR-KRWDZBQOSA-N 0 0 457.280 4.594 20 0 JJADRN C[C@@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498853 1067229136 /nfs/dbraw/zinc/22/91/36/1067229136.db2.gz PPAPOYRXHFHYRY-XMTFNYHQSA-N 0 0 452.636 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCCCc2nc(-c3ccccn3)cs2)C1 ZINC001452498146 1067229159 /nfs/dbraw/zinc/22/91/59/1067229159.db2.gz LOCBRRJVIUTLEO-ZWKOTPCHSA-N 0 0 458.628 4.728 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccc(F)c(Br)c1)c1ccc2c(c1)OCCCO2 ZINC001459015191 1067229242 /nfs/dbraw/zinc/22/92/42/1067229242.db2.gz KOTVHTCSWLUHNF-NRFANRHFSA-N 0 0 452.320 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2nc(-c3ccccn3)cs2)C1 ZINC001452503043 1067229500 /nfs/dbraw/zinc/22/95/00/1067229500.db2.gz HEWCWGCXXZDBMB-WOJBJXKFSA-N 0 0 478.618 4.547 20 0 JJADRN COC[C@H](CC(C)(C)C)NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452499380 1067229509 /nfs/dbraw/zinc/22/95/09/1067229509.db2.gz RLUDESCACJVBEK-MOPGFXCFSA-N 0 0 452.595 4.729 20 0 JJADRN CCOC(=O)C(C)(C)ONC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC001452502986 1067229602 /nfs/dbraw/zinc/22/96/02/1067229602.db2.gz GPBWLSFPGXGWBX-UHFFFAOYSA-N 0 0 456.322 4.584 20 0 JJADRN CC(C)[C@@H](NC(=O)COc1c(C=O)cc(Cl)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC001459017450 1067229632 /nfs/dbraw/zinc/22/96/32/1067229632.db2.gz MEPFVYRHXIYPCS-XMMPIXPASA-N 0 0 453.922 4.969 20 0 JJADRN COCCS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1 ZINC001459017276 1067229733 /nfs/dbraw/zinc/22/97/33/1067229733.db2.gz LDJXYRUPMMUDGI-UHFFFAOYSA-N 0 0 455.601 4.921 20 0 JJADRN COC(=O)c1cc(Br)cc(OC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1 ZINC001459017401 1067229810 /nfs/dbraw/zinc/22/98/10/1067229810.db2.gz PBJYXDPXAGTGNW-SHTZXODSSA-N 0 0 456.377 4.946 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c3ccccc3n2)cc1 ZINC001452512605 1067229971 /nfs/dbraw/zinc/22/99/71/1067229971.db2.gz FKKQDXJNDJXRSX-KRWDZBQOSA-N 0 0 455.480 4.741 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc(C(F)(F)F)cc(Br)c1=O ZINC001459018989 1067230154 /nfs/dbraw/zinc/23/01/54/1067230154.db2.gz LWOUUPFDIKOKCI-JTQLQIEISA-N 0 0 451.670 4.503 20 0 JJADRN O=c1ccn(Cc2cccc(Br)c2)c(=O)n1Cc1ccc(-c2cccs2)cc1 ZINC001459018120 1067230340 /nfs/dbraw/zinc/23/03/40/1067230340.db2.gz DFBVGTFZBMOMOF-UHFFFAOYSA-N 0 0 453.361 4.598 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)C1(c2cccc(F)c2)CCOCC1 ZINC001452515736 1067230517 /nfs/dbraw/zinc/23/05/17/1067230517.db2.gz LNFPFMJFEOBIRA-UHFFFAOYSA-N 0 0 450.333 4.727 20 0 JJADRN CCc1nc(C(=O)OCc2nc(C(F)(F)F)cs2)nn1-c1c(Cl)cccc1Cl ZINC001459021248 1067230581 /nfs/dbraw/zinc/23/05/81/1067230581.db2.gz YTTYYYRPENKDBR-UHFFFAOYSA-N 0 0 451.257 4.969 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001452526474 1067231600 /nfs/dbraw/zinc/23/16/00/1067231600.db2.gz OZSNXRIGGIHXCO-CYBMUJFWSA-N 0 0 451.316 4.722 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC=CCC1 ZINC001452523705 1067231686 /nfs/dbraw/zinc/23/16/86/1067231686.db2.gz VYTHMRGPDIQBBA-IBGZPJMESA-N 0 0 452.374 4.907 20 0 JJADRN COC(=O)c1ccc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)c(Br)c1 ZINC001459026187 1067231723 /nfs/dbraw/zinc/23/17/23/1067231723.db2.gz QFDRWOHSPUAFTK-UHFFFAOYSA-N 0 0 457.151 4.891 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC001459025352 1067231750 /nfs/dbraw/zinc/23/17/50/1067231750.db2.gz UPSKSBHCGJCAAM-VIFPVBQESA-N 0 0 454.296 4.637 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001452543207 1067233072 /nfs/dbraw/zinc/23/30/72/1067233072.db2.gz SRFXLKHTKWQOMM-UHFFFAOYSA-N 0 0 451.658 4.639 20 0 JJADRN CCN(CC)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)n1 ZINC001452541604 1067233164 /nfs/dbraw/zinc/23/31/64/1067233164.db2.gz DLAVKDDZXFRBPT-KRWDZBQOSA-N 0 0 453.008 4.843 20 0 JJADRN CC(C)[C@H](Sc1nnc(CO)n1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459031223 1067234284 /nfs/dbraw/zinc/23/42/84/1067234284.db2.gz RVVRDEBYHCYMMO-SFHVURJKSA-N 0 0 451.379 4.822 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CSCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459033882 1067234374 /nfs/dbraw/zinc/23/43/74/1067234374.db2.gz LZRJAPUHCZMOKF-UHFFFAOYSA-N 0 0 456.630 4.552 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001459032088 1067234390 /nfs/dbraw/zinc/23/43/90/1067234390.db2.gz IEVXZMUHZXPFQZ-HNNXBMFYSA-N 0 0 456.530 4.533 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001452564396 1067234755 /nfs/dbraw/zinc/23/47/55/1067234755.db2.gz TUCLCIOGIUBWGZ-MOPGFXCFSA-N 0 0 459.587 4.528 20 0 JJADRN CCc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cnn1-c1ccc(Cl)cc1 ZINC001452574089 1067235239 /nfs/dbraw/zinc/23/52/39/1067235239.db2.gz YUWKGIPEOSBIHM-VQTJNVASSA-N 0 0 458.990 4.654 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC001459034614 1067235397 /nfs/dbraw/zinc/23/53/97/1067235397.db2.gz NZSLDWDBCQJTHG-JTQLQIEISA-N 0 0 459.182 4.663 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2Br)C12CCC2 ZINC001452574366 1067235343 /nfs/dbraw/zinc/23/53/43/1067235343.db2.gz ZKMFRMNWMSSZEU-SJORKVTESA-N 0 0 451.405 4.679 20 0 JJADRN CN(C)c1ccc(-n2ccnc2S[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC001459035134 1067235449 /nfs/dbraw/zinc/23/54/49/1067235449.db2.gz VGXMHCMGPSTCRJ-LJQANCHMSA-N 0 0 457.397 4.598 20 0 JJADRN CC(C)n1cc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cn1 ZINC001452590985 1067235641 /nfs/dbraw/zinc/23/56/41/1067235641.db2.gz NORVRNZRTKIYCP-FQEVSTJZSA-N 0 0 451.365 4.605 20 0 JJADRN C[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1cc2n(n1)CCCC2 ZINC001452602442 1067236232 /nfs/dbraw/zinc/23/62/32/1067236232.db2.gz RAHVYTWORGINGF-NSHDSACASA-N 0 0 451.415 4.587 20 0 JJADRN CC[C@@H](O)[C@H]1CCCCN1C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001452604981 1067236413 /nfs/dbraw/zinc/23/64/13/1067236413.db2.gz RMELPBIROHZHBM-IEBWSBKVSA-N 0 0 455.908 4.799 20 0 JJADRN CN1CCN(c2ccc(NC(=O)CSc3ccccc3Cl)cc2Br)CC1 ZINC001459040838 1067236870 /nfs/dbraw/zinc/23/68/70/1067236870.db2.gz APDTTYZIXCHVSR-UHFFFAOYSA-N 0 0 454.821 4.585 20 0 JJADRN CCCOc1ccc(COC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c(C)c1 ZINC001452609828 1067236919 /nfs/dbraw/zinc/23/69/19/1067236919.db2.gz MTCCRWIHUILIBN-HSZRJFAPSA-N 0 0 457.567 4.972 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cccc2ncccc21 ZINC001546105823 1067236929 /nfs/dbraw/zinc/23/69/29/1067236929.db2.gz XUKIVGPFADLSFV-UHFFFAOYSA-N 0 0 453.907 4.647 20 0 JJADRN O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001459042698 1067237328 /nfs/dbraw/zinc/23/73/28/1067237328.db2.gz UJAHRDDLAGDIAI-UHFFFAOYSA-N 0 0 456.832 4.845 20 0 JJADRN O=C(N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1c[nH]nc1I ZINC001546040881 1067237833 /nfs/dbraw/zinc/23/78/33/1067237833.db2.gz NVOYTXVYOVDEPP-PKOBYXMFSA-N 0 0 457.315 4.606 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Br)c(CO)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452626389 1067238287 /nfs/dbraw/zinc/23/82/87/1067238287.db2.gz UWQXGFWPDQKNTI-UHFFFAOYSA-N 0 0 454.246 4.707 20 0 JJADRN CN(C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC001459048130 1067238702 /nfs/dbraw/zinc/23/87/02/1067238702.db2.gz DBPOYZCEYYGSOD-AREMUKBSSA-N 0 0 454.567 4.550 20 0 JJADRN CC1CCC(OCC(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)CC1 ZINC001459048164 1067238834 /nfs/dbraw/zinc/23/88/34/1067238834.db2.gz QPRDQNIIORWZMV-NKELODKYSA-N 0 0 454.405 4.561 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001546041391 1067239282 /nfs/dbraw/zinc/23/92/82/1067239282.db2.gz ANLHQVDXEROYEM-JOCHJYFZSA-N 0 0 499.681 4.874 20 0 JJADRN COc1cc(NC(=O)c2cc(Cl)c(Br)c(OC)c2N)cc(Cl)c1OC ZINC001452638008 1067239398 /nfs/dbraw/zinc/23/93/98/1067239398.db2.gz WDFCMBOBRVJEBJ-UHFFFAOYSA-N 0 0 450.116 4.616 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)ccn1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452637099 1067239413 /nfs/dbraw/zinc/23/94/13/1067239413.db2.gz VBOQDBIGLXQMLP-UHFFFAOYSA-N 0 0 452.691 4.952 20 0 JJADRN O=C(O[C@H](Cc1ccc(F)cc1)C(F)(F)F)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459051226 1067239743 /nfs/dbraw/zinc/23/97/43/1067239743.db2.gz NEEUKMTUPGGZNT-HXUWFJFHSA-N 0 0 454.347 4.827 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001546041596 1067239792 /nfs/dbraw/zinc/23/97/92/1067239792.db2.gz IFEDIWRBIANNSM-SFHVURJKSA-N 0 0 489.089 4.892 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001546041470 1067239869 /nfs/dbraw/zinc/23/98/69/1067239869.db2.gz CXIKVYGNRCHXGQ-UHFFFAOYSA-N 0 0 484.588 4.778 20 0 JJADRN COc1cc(C(=O)O[C@H](Cc2ccc(F)cc2)C(F)(F)F)cc(Br)c1OC ZINC001459055116 1067240507 /nfs/dbraw/zinc/24/05/07/1067240507.db2.gz VZQYLYMAYWUMDP-OAHLLOKOSA-N 0 0 451.210 4.936 20 0 JJADRN COc1cccc2c1OCC[C@H]2NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001452653237 1067240879 /nfs/dbraw/zinc/24/08/79/1067240879.db2.gz MBWBWIFFGYNQRP-YLJYHZDGSA-N 0 0 452.551 4.954 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC(CCc2ccc(F)cc2F)CC1)S(=O)(=O)C1CCCCC1 ZINC001452652798 1067240889 /nfs/dbraw/zinc/24/08/89/1067240889.db2.gz FPIRILLWZZYMGE-HSZRJFAPSA-N 0 0 455.611 4.908 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001459056285 1067240989 /nfs/dbraw/zinc/24/09/89/1067240989.db2.gz YSDGIOQYGXWMRC-WZONZLPQSA-N 0 0 452.517 4.890 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC(Cc3nc(CC)cs3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001452657893 1067241362 /nfs/dbraw/zinc/24/13/62/1067241362.db2.gz PJEJUKQNAJTVMA-PMACEKPBSA-N 0 0 459.612 4.750 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C1CC1 ZINC001459059520 1067241797 /nfs/dbraw/zinc/24/17/97/1067241797.db2.gz PAUQBNVMDSHZMX-QGZVFWFLSA-N 0 0 459.593 4.831 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001546042003 1067242373 /nfs/dbraw/zinc/24/23/73/1067242373.db2.gz UUCQNSVAEPVOCK-UHFFFAOYSA-N 0 0 456.562 4.729 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]3CC3CCCC3)ccc2Cl)C1 ZINC001452663557 1067242456 /nfs/dbraw/zinc/24/24/56/1067242456.db2.gz GKOXEGZBPILPGA-YLJYHZDGSA-N 0 0 453.048 4.946 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)NC(C)C)C1 ZINC001546106201 1067242870 /nfs/dbraw/zinc/24/28/70/1067242870.db2.gz MUXBCEOOFZVPPK-UHFFFAOYSA-N 0 0 480.426 4.778 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)cc1C1CC1 ZINC001452677871 1067242871 /nfs/dbraw/zinc/24/28/71/1067242871.db2.gz ADRJHWURWHXNBA-WPYKKVEZSA-N 0 0 458.599 4.640 20 0 JJADRN CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c2ccccc21 ZINC001452681426 1067242924 /nfs/dbraw/zinc/24/29/24/1067242924.db2.gz LINRRRVKYXJXMF-YSZBQJHXSA-N 0 0 455.599 4.728 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452680953 1067242972 /nfs/dbraw/zinc/24/29/72/1067242972.db2.gz KJEYAVAZZZGZOC-ISBMVONUSA-N 0 0 456.627 4.806 20 0 JJADRN COc1ccc(-c2nc(SCc3noc(-c4ccsc4)n3)n[nH]2)cc1Br ZINC001459068517 1067243321 /nfs/dbraw/zinc/24/33/21/1067243321.db2.gz HPYACEMFQWQHGT-UHFFFAOYSA-N 0 0 450.343 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCSc2nc3cccc(Br)c3s2)CC1 ZINC001459070105 1067243790 /nfs/dbraw/zinc/24/37/90/1067243790.db2.gz MFSCCPIULBCKLR-UHFFFAOYSA-N 0 0 458.447 4.704 20 0 JJADRN Cc1cc2ccccc2nc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452688726 1067243870 /nfs/dbraw/zinc/24/38/70/1067243870.db2.gz VNWRWXGCFLERMM-FCEUIQTBSA-N 0 0 453.583 4.610 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1)c1ccccc1 ZINC001459071009 1067244294 /nfs/dbraw/zinc/24/42/94/1067244294.db2.gz FGOSMVODLMYOPP-RUZDIDTESA-N 0 0 451.954 4.572 20 0 JJADRN Cc1nc(C(=O)NCc2cccc(C)c2Br)nn1-c1c(Cl)cccc1Cl ZINC001459071249 1067244349 /nfs/dbraw/zinc/24/43/49/1067244349.db2.gz AAJCRWBKNFBUJI-UHFFFAOYSA-N 0 0 454.155 4.883 20 0 JJADRN COCc1c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001452692856 1067244998 /nfs/dbraw/zinc/24/49/98/1067244998.db2.gz USXCMOQPETTYQE-SFHVURJKSA-N 0 0 459.539 4.575 20 0 JJADRN CN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452693300 1067245017 /nfs/dbraw/zinc/24/50/17/1067245017.db2.gz IWIUSCBGKZCSED-LLAFXHEGSA-N 0 0 454.590 4.742 20 0 JJADRN COCCN(C(C)=O)c1nc(CSc2nc3cccc(Br)c3s2)cs1 ZINC001459075101 1067245819 /nfs/dbraw/zinc/24/58/19/1067245819.db2.gz VCKYAFOOUQUVCC-UHFFFAOYSA-N 0 0 458.428 4.807 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC001459075924 1067245938 /nfs/dbraw/zinc/24/59/38/1067245938.db2.gz UWHYEJSDSHOHDC-UHFFFAOYSA-N 0 0 455.388 4.633 20 0 JJADRN CCC(O)(CC)Cn1c(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C ZINC001546043181 1067245903 /nfs/dbraw/zinc/24/59/03/1067245903.db2.gz KXZHOWILAUTMNH-UHFFFAOYSA-N 0 0 465.683 4.600 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001546043326 1067245969 /nfs/dbraw/zinc/24/59/69/1067245969.db2.gz PCEBAVFRPLFFEK-RHSMWYFYSA-N 0 0 489.608 4.860 20 0 JJADRN O=C(c1ccccc1SCc1ccc(Br)cc1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001452724591 1067246471 /nfs/dbraw/zinc/24/64/71/1067246471.db2.gz FTCZGWRDFNAHIM-HNNXBMFYSA-N 0 0 458.381 4.800 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452728369 1067246697 /nfs/dbraw/zinc/24/66/97/1067246697.db2.gz PDSKMGNKDADQIB-FQEVSTJZSA-N 0 0 450.760 4.668 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001546043403 1067246706 /nfs/dbraw/zinc/24/67/06/1067246706.db2.gz RNICQLGXBBVXOQ-GOTSBHOMSA-N 0 0 497.684 4.970 20 0 JJADRN COc1ccc([C@@H](CNC(=O)COc2cnc(F)cc2Cl)c2c[nH]c3ccccc32)cc1 ZINC001459077932 1067246869 /nfs/dbraw/zinc/24/68/69/1067246869.db2.gz RQYXGQUJWHSWHK-GOSISDBHSA-N 0 0 453.901 4.691 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C ZINC001452734096 1067246998 /nfs/dbraw/zinc/24/69/98/1067246998.db2.gz DLBQNMCQMDJNSC-FQEVSTJZSA-N 0 0 456.999 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCc3ccnc(Br)c3)o2)C1 ZINC001459078918 1067247446 /nfs/dbraw/zinc/24/74/46/1067247446.db2.gz UUXADDZLTIMQPJ-CYBMUJFWSA-N 0 0 455.378 4.634 20 0 JJADRN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(Cl)c1 ZINC001459080426 1067247461 /nfs/dbraw/zinc/24/74/61/1067247461.db2.gz WRHSFIPOZPZDLG-INIZCTEOSA-N 0 0 450.988 4.800 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOc3ccc(Br)cc32)c1)c1ccc(F)cc1 ZINC001459079740 1067247526 /nfs/dbraw/zinc/24/75/26/1067247526.db2.gz WPMANRTWPMDAKW-UHFFFAOYSA-N 0 0 455.283 4.880 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452737931 1067247528 /nfs/dbraw/zinc/24/75/28/1067247528.db2.gz ZYXLOVOCZZBYLE-HSZRJFAPSA-N 0 0 456.380 4.988 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1coc(C2CC2)n1 ZINC001459083612 1067247785 /nfs/dbraw/zinc/24/77/85/1067247785.db2.gz IMMRRRUJKIVZPY-IFMALSPDSA-N 0 0 453.583 4.930 20 0 JJADRN O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001546042841 1067248005 /nfs/dbraw/zinc/24/80/05/1067248005.db2.gz ZHOUZQZDIVCUJE-UHFFFAOYSA-N 0 0 450.857 4.583 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001452746693 1067248184 /nfs/dbraw/zinc/24/81/84/1067248184.db2.gz RXVANGVAIKWWDN-DUXKGJEZSA-N 0 0 458.599 4.710 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccco1 ZINC001546043464 1067248504 /nfs/dbraw/zinc/24/85/04/1067248504.db2.gz SWWWHCDCLGMZIF-OALUTQOASA-N 0 0 473.618 4.836 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1CC2(CCC2)C1 ZINC001452759001 1067248972 /nfs/dbraw/zinc/24/89/72/1067248972.db2.gz PUHFVUMVHMOFKZ-UHFFFAOYSA-N 0 0 453.391 4.786 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@]4(CC4(F)F)C3)c2)c1 ZINC001452759310 1067249136 /nfs/dbraw/zinc/24/91/36/1067249136.db2.gz AMPNCCMFSSISQF-HXUWFJFHSA-N 0 0 454.926 4.711 20 0 JJADRN COc1ccc(CCNC(=O)[C@H](C)Sc2ccc(Br)c(Cl)c2)cc1OC ZINC001459089496 1067249310 /nfs/dbraw/zinc/24/93/10/1067249310.db2.gz DNIXKPRVIMEWGO-LBPRGKRZSA-N 0 0 458.805 4.959 20 0 JJADRN CC(C)Oc1cc(CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C2CC2)ccn1 ZINC001546043744 1067249488 /nfs/dbraw/zinc/24/94/88/1067249488.db2.gz CODNWEVOTWDMNR-UHFFFAOYSA-N 0 0 455.356 4.826 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001459097368 1067249682 /nfs/dbraw/zinc/24/96/82/1067249682.db2.gz LBMULFBZWXDFHE-GOSISDBHSA-N 0 0 457.452 4.523 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001459097315 1067249807 /nfs/dbraw/zinc/24/98/07/1067249807.db2.gz KJYRIKOPBWZPET-AZUAARDMSA-N 0 0 450.526 4.885 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)nc2)c1 ZINC001452767053 1067249980 /nfs/dbraw/zinc/24/99/80/1067249980.db2.gz JUAKXWHDXPCDSJ-IRXDYDNUSA-N 0 0 450.564 4.502 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2Sc2ncccn2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001452767425 1067249997 /nfs/dbraw/zinc/24/99/97/1067249997.db2.gz LSQVDVNRHDJCJW-UHFFFAOYSA-N 0 0 453.568 4.552 20 0 JJADRN C[C@H]1CCC[C@H](NC(=O)c2c(I)ccc(Br)c2F)CC1 ZINC001459099130 1067250169 /nfs/dbraw/zinc/25/01/69/1067250169.db2.gz JJCCENXWGVVVIS-UWVGGRQHSA-N 0 0 454.121 4.891 20 0 JJADRN C[C@H](SCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1cccc(Br)c1 ZINC001459104433 1067251197 /nfs/dbraw/zinc/25/11/97/1067251197.db2.gz RPEWOOHWEPBMLZ-NSHDSACASA-N 0 0 452.765 4.511 20 0 JJADRN O=C(Cn1cnc2cc(Cl)cc(Cl)c2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459105732 1067251597 /nfs/dbraw/zinc/25/15/97/1067251597.db2.gz RSNNFYSRYIMTNL-FQEVSTJZSA-N 0 0 452.341 4.804 20 0 JJADRN CC1CCC(N(C)C(=O)COc2c(I)cccc2C(F)(F)F)CC1 ZINC001459106588 1067251701 /nfs/dbraw/zinc/25/17/01/1067251701.db2.gz XQTGPRJPGALBIL-UHFFFAOYSA-N 0 0 455.258 4.726 20 0 JJADRN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452789128 1067251888 /nfs/dbraw/zinc/25/18/88/1067251888.db2.gz FPAJDTVXXKMFGE-NRFANRHFSA-N 0 0 450.753 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3CCC[C@@](O)(c4ccc(Cl)cc4)C3)c2C1 ZINC001452791370 1067252210 /nfs/dbraw/zinc/25/22/10/1067252210.db2.gz RJHGLFSIIRKKEV-VWLOTQADSA-N 0 0 456.970 4.715 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)c2c1 ZINC001459108776 1067252614 /nfs/dbraw/zinc/25/26/14/1067252614.db2.gz DPHKFISMYZLSCX-QFIPXVFZSA-N 0 0 458.489 4.645 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)C[C@H](C)O1 ZINC001452796054 1067252659 /nfs/dbraw/zinc/25/26/59/1067252659.db2.gz GZYBZHCOQNGNOU-UGSOOPFHSA-N 0 0 454.375 4.688 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001452798099 1067253235 /nfs/dbraw/zinc/25/32/35/1067253235.db2.gz OLUHPTZIUJRHFS-GOSISDBHSA-N 0 0 459.384 4.783 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459114224 1067253467 /nfs/dbraw/zinc/25/34/67/1067253467.db2.gz AUQGBAPBUOOQJB-UHFFFAOYSA-N 0 0 455.986 4.703 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCC[C@]3(C)Cc3cccc(Cl)c3)c2)cc1 ZINC001452803781 1067253656 /nfs/dbraw/zinc/25/36/56/1067253656.db2.gz UDIRABRRIFHDTN-XMMPIXPASA-N 0 0 456.995 4.924 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCCO[C@H](C)C2)O1 ZINC001546044599 1067253736 /nfs/dbraw/zinc/25/37/36/1067253736.db2.gz CZDPLSOMOOEFLY-GTCCEBARSA-N 0 0 463.420 4.671 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1csc(Br)c1C)c1ccc(Cl)c(Cl)c1 ZINC001459117785 1067253957 /nfs/dbraw/zinc/25/39/57/1067253957.db2.gz DAKKFPOZTJLYBU-MRXNPFEDSA-N 0 0 451.169 4.944 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)cc2)n1 ZINC001459118076 1067254633 /nfs/dbraw/zinc/25/46/33/1067254633.db2.gz XQRJLKSPGRFSQB-SANMLTNESA-N 0 0 453.542 4.746 20 0 JJADRN C[C@H](O)[C@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1F ZINC001452810244 1067254604 /nfs/dbraw/zinc/25/46/04/1067254604.db2.gz FXIONTQBCWCQGK-CYFREDJKSA-N 0 0 456.558 4.631 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(C)n1-c1nccs1 ZINC001452809456 1067254755 /nfs/dbraw/zinc/25/47/55/1067254755.db2.gz UYTHZZZPODZXEE-GOSISDBHSA-N 0 0 452.580 4.647 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(Cl)c(Cl)c1 ZINC001459120035 1067255010 /nfs/dbraw/zinc/25/50/10/1067255010.db2.gz HLRGSNPWPWKBTO-ZSEKCTLFSA-N 0 0 455.769 4.678 20 0 JJADRN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(C)cc(C(F)(F)F)c3=O)n2)cc1 ZINC001459119941 1067255022 /nfs/dbraw/zinc/25/50/22/1067255022.db2.gz CNWHVJQQNOXDOR-LBPRGKRZSA-N 0 0 450.486 4.846 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1C ZINC001459121066 1067255539 /nfs/dbraw/zinc/25/55/39/1067255539.db2.gz JUIXQMQIOJZJRN-UHFFFAOYSA-N 0 0 450.516 4.655 20 0 JJADRN COc1ccc(C(=O)Nc2sccc2C(=O)OC(C)(C)C)cc1I ZINC001459122935 1067255554 /nfs/dbraw/zinc/25/55/54/1067255554.db2.gz WKFIYMVQSRPFOJ-UHFFFAOYSA-N 0 0 459.305 4.569 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)cc1F ZINC001459120111 1067255656 /nfs/dbraw/zinc/25/56/56/1067255656.db2.gz JMCRYOVAMCRJTK-SFHVURJKSA-N 0 0 455.486 4.718 20 0 JJADRN CCC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001452824518 1067255812 /nfs/dbraw/zinc/25/58/12/1067255812.db2.gz WITFMAJCYSCLRH-DGCLKSJQSA-N 0 0 453.839 4.706 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC001459123300 1067256088 /nfs/dbraw/zinc/25/60/88/1067256088.db2.gz MGKSDXDKYKGVGX-IPQOISQHSA-N 0 0 452.382 4.661 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001459123581 1067256140 /nfs/dbraw/zinc/25/61/40/1067256140.db2.gz PKTPUMSHUQEKKR-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN C[C@H](C(=O)NCc1cc(Br)ccc1Br)[C@@H]1OCCc2sccc21 ZINC001459126576 1067256529 /nfs/dbraw/zinc/25/65/29/1067256529.db2.gz QHQZREPXPSXMLR-QFYYESIMSA-N 0 0 459.203 4.839 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)CCCOCc1ccc(OC)cc1)c1ccc(Cl)c(Cl)c1 ZINC001459125491 1067256578 /nfs/dbraw/zinc/25/65/78/1067256578.db2.gz PPHHRNVCKDIPCL-QFIPXVFZSA-N 0 0 454.350 4.503 20 0 JJADRN CCOC1CCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001452834576 1067256566 /nfs/dbraw/zinc/25/65/66/1067256566.db2.gz MNYDAAULLVZGHO-LJQANCHMSA-N 0 0 450.579 4.579 20 0 JJADRN COc1ccc2cc(C(=O)NCc3cc(Br)ccc3Br)cnc2c1 ZINC001459127147 1067256934 /nfs/dbraw/zinc/25/69/34/1067256934.db2.gz RYXDARHKWSAKEI-UHFFFAOYSA-N 0 0 450.130 4.698 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1nc(Br)ccc1F ZINC001459127486 1067256981 /nfs/dbraw/zinc/25/69/81/1067256981.db2.gz SMESYJMCCLFMPJ-AWEZNQCLSA-N 0 0 456.153 4.887 20 0 JJADRN CCn1cc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c(-c2ccccc2)n1 ZINC001459128107 1067257058 /nfs/dbraw/zinc/25/70/58/1067257058.db2.gz STKCBOKSSOBCNJ-DEOSSOPVSA-N 0 0 453.542 4.827 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1nc(Br)sc1C1CC1 ZINC001452843388 1067257063 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VLNUTPVPNADKAM-MIZPHKNDSA-N 0 0 454.567 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[C@H]1C1CC1 ZINC001452908756 1067263459 /nfs/dbraw/zinc/26/34/59/1067263459.db2.gz ZQOPJNMXYDNWPT-GBESFXJTSA-N 0 0 452.954 4.557 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)o3)C2)C1 ZINC001452907654 1067263551 /nfs/dbraw/zinc/26/35/51/1067263551.db2.gz VLNUTPVPNADKAM-VIZSFHNOSA-N 0 0 454.567 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452908759 1067263605 /nfs/dbraw/zinc/26/36/05/1067263605.db2.gz ZQOPJNMXYDNWPT-QYZOEREBSA-N 0 0 452.954 4.557 20 0 JJADRN CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1cccc(Cl)c1Cl ZINC001459162834 1067264014 /nfs/dbraw/zinc/26/40/14/1067264014.db2.gz OOYAKMYEUHNDPO-UHFFFAOYSA-N 0 0 451.169 4.826 20 0 JJADRN CCOC(=O)C1=C(CS[C@@H]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459161769 1067264164 /nfs/dbraw/zinc/26/41/64/1067264164.db2.gz BISLDKJRDRWQJA-DENIHFKCSA-N 0 0 456.995 4.802 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)C2 ZINC001452920512 1067264571 /nfs/dbraw/zinc/26/45/71/1067264571.db2.gz JYIUKXLASKYCNW-PPHZAIPVSA-N 0 0 466.553 4.824 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1-c1ccccc1 ZINC001452921858 1067264618 /nfs/dbraw/zinc/26/46/18/1067264618.db2.gz OUSRVVKCVVSXRY-SIBVEZHUSA-N 0 0 451.567 4.530 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)c3coc4c3C(=O)NCCC4)c2C(=O)OC(C)(C)C)C1 ZINC001459163739 1067264662 /nfs/dbraw/zinc/26/46/62/1067264662.db2.gz NUHGYLCSQYUONX-ZDUSSCGKSA-N 0 0 458.580 4.740 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cc3c([nH]c2=O)CCCC3)cc1)c1ccc(Br)o1 ZINC001452920473 1067264631 /nfs/dbraw/zinc/26/46/31/1067264631.db2.gz RMKRCUNKZRTGAY-UHFFFAOYSA-N 0 0 456.296 4.526 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1-c1ccc(Cl)s1)C2 ZINC001452921740 1067264644 /nfs/dbraw/zinc/26/46/44/1067264644.db2.gz NDMQOWOZOPBKCI-ZSEKCTLFSA-N 0 0 450.992 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCS[C@H](c4ccccc4)C3)cc2CC1 ZINC001452920833 1067264684 /nfs/dbraw/zinc/26/46/84/1067264684.db2.gz LQEJTGATMSZUAK-QHCPKHFHSA-N 0 0 452.620 4.953 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001452923671 1067265164 /nfs/dbraw/zinc/26/51/64/1067265164.db2.gz WTYNOZLSXVAUHB-XDHUDOTRSA-N 0 0 456.612 4.962 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]3C)c2cnn(C)c2n1 ZINC001459166067 1067265103 /nfs/dbraw/zinc/26/51/03/1067265103.db2.gz RETQMCGXGBAGOU-OLZOCXBDSA-N 0 0 456.568 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N2CCS[C@@H](c3ccccc3)C2)C1 ZINC001452923619 1067265219 /nfs/dbraw/zinc/26/52/19/1067265219.db2.gz WKZYMCVWWFWBEK-OAQYLSRUSA-N 0 0 454.592 4.746 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)CC(C)C ZINC001452923445 1067265229 /nfs/dbraw/zinc/26/52/29/1067265229.db2.gz NIFSNRQTPYCRHJ-HNNXBMFYSA-N 0 0 451.361 4.840 20 0 JJADRN O=C(CS[C@H]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459169932 1067265582 /nfs/dbraw/zinc/26/55/82/1067265582.db2.gz ZGBSZIQEJJCKRJ-NRFANRHFSA-N 0 0 455.576 4.888 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)O1 ZINC001546046243 1067265726 /nfs/dbraw/zinc/26/57/26/1067265726.db2.gz YIMPYPJCNKIOPK-QRQCRPRQSA-N 0 0 475.018 4.624 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001459178232 1067265958 /nfs/dbraw/zinc/26/59/58/1067265958.db2.gz LTUISPYXUXPPTL-UXHICEINSA-N 0 0 457.412 4.899 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001459178223 1067266099 /nfs/dbraw/zinc/26/60/99/1067266099.db2.gz LTUISPYXUXPPTL-PMACEKPBSA-N 0 0 457.412 4.899 20 0 JJADRN C[C@@H](CO)C1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1 ZINC001452947459 1067266605 /nfs/dbraw/zinc/26/66/05/1067266605.db2.gz XKDYZFDBCCERLS-ZDUSSCGKSA-N 0 0 455.908 4.514 20 0 JJADRN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(Br)ccc1Br ZINC001459178486 1067266532 /nfs/dbraw/zinc/26/65/32/1067266532.db2.gz MQGNZTYYUUXESC-UHFFFAOYSA-N 0 0 456.065 4.758 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)c3cc(Br)cnc3Br)sc2c1 ZINC001459184419 1067267408 /nfs/dbraw/zinc/26/74/08/1067267408.db2.gz DIXQPLSTEUVCDL-UHFFFAOYSA-N 0 0 455.131 4.671 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001452952761 1067267204 /nfs/dbraw/zinc/26/72/04/1067267204.db2.gz BZRVQTZLURKPMU-RDJZCZTQSA-N 0 0 460.512 4.660 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N3CCCCC[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC001459183875 1067267288 /nfs/dbraw/zinc/26/72/88/1067267288.db2.gz NGLKSLKATUOEDE-SFHVURJKSA-N 0 0 451.596 4.611 20 0 JJADRN COc1c2ccccc2oc1CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001459183354 1067267306 /nfs/dbraw/zinc/26/73/06/1067267306.db2.gz KCOANYSVXODFMD-UHFFFAOYSA-N 0 0 450.804 4.624 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)s1 ZINC001452962482 1067268178 /nfs/dbraw/zinc/26/81/78/1067268178.db2.gz TZLMWHOOEIALFI-QGZVFWFLSA-N 0 0 456.391 4.868 20 0 JJADRN COc1ccc(CNC(=O)/C=C\C(=O)N[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1 ZINC001452960703 1067268244 /nfs/dbraw/zinc/26/82/44/1067268244.db2.gz PUNROOSRHBNSRZ-ILMWPBKWSA-N 0 0 458.558 4.885 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Br)cc1 ZINC001459187895 1067268560 /nfs/dbraw/zinc/26/85/60/1067268560.db2.gz DEAAQOQLMGUZMY-GOSISDBHSA-N 0 0 455.190 4.979 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC001459187901 1067268699 /nfs/dbraw/zinc/26/86/99/1067268699.db2.gz DGDNIAXWJYVVLU-LJQANCHMSA-N 0 0 452.364 4.900 20 0 JJADRN O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001452966490 1067269020 /nfs/dbraw/zinc/26/90/20/1067269020.db2.gz GUGQBIPYTRUCIF-SFHVURJKSA-N 0 0 453.258 4.568 20 0 JJADRN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001452967999 1067269236 /nfs/dbraw/zinc/26/92/36/1067269236.db2.gz NXTIRYRLEGZUGE-GOSISDBHSA-N 0 0 454.151 4.856 20 0 JJADRN CCC[C@@H](C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 ZINC001452969401 1067269717 /nfs/dbraw/zinc/26/97/17/1067269717.db2.gz ZSZQXIRWTPLZFQ-ZVDOUQERSA-N 0 0 480.502 4.781 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccc(C)cc4C3)c2)c1 ZINC001452979202 1067269983 /nfs/dbraw/zinc/26/99/83/1067269983.db2.gz UGSTWLOWHKWXGV-UHFFFAOYSA-N 0 0 454.979 4.956 20 0 JJADRN CC(C)c1ccc2c(c1)CN(C(=O)c1cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c1)CC2 ZINC001452979969 1067270022 /nfs/dbraw/zinc/27/00/22/1067270022.db2.gz XIRDQZQVEUKQOG-QHCPKHFHSA-N 0 0 452.599 4.777 20 0 JJADRN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSCc2ccccn2)cc1OC ZINC001459201351 1067270423 /nfs/dbraw/zinc/27/04/23/1067270423.db2.gz URQBQRMCTMHLFH-LJQANCHMSA-N 0 0 453.589 4.771 20 0 JJADRN COCC1(C2CCC2)CN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 ZINC001452983486 1067270514 /nfs/dbraw/zinc/27/05/14/1067270514.db2.gz JBWYSGOKKVUYNR-UHFFFAOYSA-N 0 0 458.668 4.897 20 0 JJADRN O=C(Nc1ccc2ccn(C(F)F)c2c1)c1cccn2c(I)cnc12 ZINC001452988439 1067271006 /nfs/dbraw/zinc/27/10/06/1067271006.db2.gz XUMAVYGMRRWVNF-UHFFFAOYSA-N 0 0 452.202 4.541 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4ccn(C(F)F)c4c3)cc(C(C)C)nc21 ZINC001452988218 1067271040 /nfs/dbraw/zinc/27/10/40/1067271040.db2.gz WFJYBVBVKIVDEG-UHFFFAOYSA-N 0 0 455.465 4.633 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1nnc(Cc3ccccc3)s1)N2C(=O)OC(C)(C)C ZINC001452986478 1067271160 /nfs/dbraw/zinc/27/11/60/1067271160.db2.gz YIDLCJAXESPPEA-IBGZPJMESA-N 0 0 450.564 4.742 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnn(Cc2ccccc2)c1N ZINC001452994660 1067271603 /nfs/dbraw/zinc/27/16/03/1067271603.db2.gz CXHLFDNHJYVHFJ-QHCPKHFHSA-N 0 0 458.484 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001452994061 1067271745 /nfs/dbraw/zinc/27/17/45/1067271745.db2.gz CHUXITXMGHEJQJ-DRSNIGMVSA-N 0 0 456.505 4.812 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N2CCCc3c(Br)ccc(Cl)c32)CC1 ZINC001459211450 1067271980 /nfs/dbraw/zinc/27/19/80/1067271980.db2.gz OQFAYYIVYAORRC-UHFFFAOYSA-N 0 0 457.796 4.886 20 0 JJADRN O=C(COc1cnc(Cl)cc1I)Nc1c(Cl)cccc1Cl ZINC001459211671 1067272026 /nfs/dbraw/zinc/27/20/26/1067272026.db2.gz QKTGQJHWUPXIFN-UHFFFAOYSA-N 0 0 457.482 4.664 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccc(NCc2ccsc2)cc1 ZINC001452995205 1067272165 /nfs/dbraw/zinc/27/21/65/1067272165.db2.gz GHENKAZTEJMBIV-LJQANCHMSA-N 0 0 459.493 4.610 20 0 JJADRN CCOC(=O)c1cn(C[C@H]2CC(C)(C)OC2(C)C)c2c(Br)ccc(F)c2c1=O ZINC001459217321 1067272235 /nfs/dbraw/zinc/27/22/35/1067272235.db2.gz NOUPDUBDIRJKPD-GFCCVEGCSA-N 0 0 454.336 4.674 20 0 JJADRN CCOC(=O)c1cn(Cc2ccc(F)cc2Cl)c2c(Br)ccc(F)c2c1=O ZINC001459215766 1067272370 /nfs/dbraw/zinc/27/23/70/1067272370.db2.gz AZCIPIHJGZEYSB-UHFFFAOYSA-N 0 0 456.670 4.921 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4occ(C)c4c3)c2)cc1 ZINC001459221142 1067272878 /nfs/dbraw/zinc/27/28/78/1067272878.db2.gz BPBQZTWNMRUZTB-UHFFFAOYSA-N 0 0 450.516 4.827 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001452998450 1067273255 /nfs/dbraw/zinc/27/32/55/1067273255.db2.gz NDCYTZOWCWIMAW-IXDOHACOSA-N 0 0 457.279 4.733 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)[C@H]2CCO[C@@H]2C)cc1OC ZINC001459223439 1067273225 /nfs/dbraw/zinc/27/32/25/1067273225.db2.gz RDFMHLVWDXIGRC-BEFAXECRSA-N 0 0 455.942 4.633 20 0 JJADRN CC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)[C@H]1C ZINC001459225910 1067273272 /nfs/dbraw/zinc/27/32/72/1067273272.db2.gz MSTDERWGQOCUHK-IOLMAISTSA-N 0 0 450.579 4.835 20 0 JJADRN O=C(CCc1ccc2c(c1)CCO2)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001459231436 1067274669 /nfs/dbraw/zinc/27/46/69/1067274669.db2.gz VZIKYYOYJXPEMF-JOCHJYFZSA-N 0 0 451.364 4.812 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001459232247 1067275111 /nfs/dbraw/zinc/27/51/11/1067275111.db2.gz YIMNZBRBVKZAJB-LBPRGKRZSA-N 0 0 451.436 4.594 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC001459234138 1067275271 /nfs/dbraw/zinc/27/52/71/1067275271.db2.gz URHKFUUISUUNPU-HOCLYGCPSA-N 0 0 458.559 4.521 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001453055633 1067275695 /nfs/dbraw/zinc/27/56/95/1067275695.db2.gz IKEKAQYEBGSYHF-ROUUACIJSA-N 0 0 454.567 4.523 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccnc4ccccc34)c2)c1 ZINC001453066673 1067276154 /nfs/dbraw/zinc/27/61/54/1067276154.db2.gz KQXKDTTWOUJJRF-UHFFFAOYSA-N 0 0 459.571 4.625 20 0 JJADRN Cc1ccc(I)c(C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)c1 ZINC001453071340 1067276681 /nfs/dbraw/zinc/27/66/81/1067276681.db2.gz CWSABUJAOJTKAV-UHFFFAOYSA-N 0 0 457.352 4.574 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCCC3)cc2)no1 ZINC001453068898 1067276741 /nfs/dbraw/zinc/27/67/41/1067276741.db2.gz DKCFCFLKKOPTPN-UHFFFAOYSA-N 0 0 456.587 4.893 20 0 JJADRN C[C@H](SC[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(I)cc1 ZINC001459242895 1067276734 /nfs/dbraw/zinc/27/67/34/1067276734.db2.gz DWLQLKOBEOHYMW-SCLBCKFNSA-N 0 0 453.345 4.665 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)Cc1cn3cc(Cl)cc(Cl)c3n1)CC2 ZINC001459242227 1067276813 /nfs/dbraw/zinc/27/68/13/1067276813.db2.gz MNWMORNKNHQDAW-UHFFFAOYSA-N 0 0 453.167 4.839 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCc1ccc(F)cc1Br ZINC001459246783 1067277161 /nfs/dbraw/zinc/27/71/61/1067277161.db2.gz XXAXCKYHPPUWLE-UHFFFAOYSA-N 0 0 452.327 4.845 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)CC1 ZINC001453080985 1067277654 /nfs/dbraw/zinc/27/76/54/1067277654.db2.gz QZHYRNAFSOCKSJ-UHFFFAOYSA-N 0 0 459.537 4.613 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCCC1 ZINC001453077484 1067277793 /nfs/dbraw/zinc/27/77/93/1067277793.db2.gz UXPCNPWXLQPTJD-UHFFFAOYSA-N 0 0 454.340 4.637 20 0 JJADRN CCOC(=O)c1cn(Cc2c3ccccc3sc2C(=O)OC)c2cc(F)c(F)cc2c1=O ZINC001459249800 1067277769 /nfs/dbraw/zinc/27/77/69/1067277769.db2.gz QLAILNPEUHZFLE-UHFFFAOYSA-N 0 0 457.454 4.506 20 0 JJADRN COC(=O)c1ccc(Cl)cc1SCC(=O)N=c1cc[nH]n1Cc1ccc(C(C)C)cc1 ZINC001459252245 1067277782 /nfs/dbraw/zinc/27/77/82/1067277782.db2.gz UWZXXITWJNYGJJ-UHFFFAOYSA-N 0 0 457.983 4.648 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](COC)C2)O1 ZINC001546047682 1067278715 /nfs/dbraw/zinc/27/87/15/1067278715.db2.gz BUJCOCSLDBHUEK-WCAVRKLYSA-N 0 0 477.447 4.836 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3cc(Br)cc4nc(C)oc43)n2)cc1 ZINC001459261244 1067279261 /nfs/dbraw/zinc/27/92/61/1067279261.db2.gz FWTKBVFPASSCJA-UHFFFAOYSA-N 0 0 457.284 4.529 20 0 JJADRN CCSc1c[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1 ZINC001453117563 1067279859 /nfs/dbraw/zinc/27/98/59/1067279859.db2.gz UWCSWCLLQYFCGM-UYAOXDASSA-N 0 0 475.586 4.561 20 0 JJADRN CC[C@H](C)CC[C@H](O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001453116786 1067279879 /nfs/dbraw/zinc/27/98/79/1067279879.db2.gz CUZVRKIBFROVDC-UTYWTXRGSA-N 0 0 480.621 4.621 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)ccc1Cl ZINC001459266824 1067279857 /nfs/dbraw/zinc/27/98/57/1067279857.db2.gz GBJRBKOYTZHUCT-UHFFFAOYSA-N 0 0 454.995 4.997 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459266741 1067279878 /nfs/dbraw/zinc/27/98/78/1067279878.db2.gz QBYPFCMWXBLONH-QGZVFWFLSA-N 0 0 455.860 4.763 20 0 JJADRN COc1cccc(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001453125438 1067281409 /nfs/dbraw/zinc/28/14/09/1067281409.db2.gz UTUSMRBMUUIASB-DHIUTWEWSA-N 0 0 456.558 4.676 20 0 JJADRN CC(C)(C)n1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(Br)n1 ZINC001459277932 1067281387 /nfs/dbraw/zinc/28/13/87/1067281387.db2.gz FURATWVYAIOPDD-UHFFFAOYSA-N 0 0 454.781 4.749 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC001459282247 1067281875 /nfs/dbraw/zinc/28/18/75/1067281875.db2.gz UCTWPOPIIQZSRD-UHFFFAOYSA-N 0 0 452.454 4.854 20 0 JJADRN CCN(c1ccc(NC(=O)Cn2c(C)nc(Br)c2Br)cc1)C(C)C ZINC001459280839 1067281904 /nfs/dbraw/zinc/28/19/04/1067281904.db2.gz RQWQXBMJNYFZMV-UHFFFAOYSA-N 0 0 458.198 4.590 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@@H]3C[C@@H](OCc4ccccc4)C3(C)C)cs2)cc1OC ZINC001459287774 1067283070 /nfs/dbraw/zinc/28/30/70/1067283070.db2.gz MXGIPOXKLXJZIH-FGZHOGPDSA-N 0 0 452.576 4.941 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@@H]1CC[C@H]3CCCC[C@H]3N1C(=O)OC(C)(C)C)sc(=O)n2C ZINC001453144281 1067283136 /nfs/dbraw/zinc/28/31/36/1067283136.db2.gz MYVDAUFKZMDNQG-NXHRZFHOSA-N 0 0 459.612 4.805 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@H](OC)C2)O1 ZINC001546047916 1067283227 /nfs/dbraw/zinc/28/32/27/1067283227.db2.gz GARREJZOQJHWCR-WSOZGMELSA-N 0 0 483.476 4.978 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)cc12 ZINC001459290371 1067283648 /nfs/dbraw/zinc/28/36/48/1067283648.db2.gz YYFGQQYHTFPCRX-UHFFFAOYSA-N 0 0 454.596 4.915 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)CCSc1ccccc1Br ZINC001459292473 1067283911 /nfs/dbraw/zinc/28/39/11/1067283911.db2.gz ANVPCHSRGOXIRQ-GASCZTMLSA-N 0 0 457.434 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3(CCOCc4ccccc4)CC3)CC2)CC1 ZINC001459293348 1067284054 /nfs/dbraw/zinc/28/40/54/1067284054.db2.gz ZTYGMXNMIAEPKR-UHFFFAOYSA-N 0 0 456.627 4.917 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)COc1ccccc1OCc1ccccc1 ZINC001459294159 1067284477 /nfs/dbraw/zinc/28/44/77/1067284477.db2.gz JRGXBJLFZMZCDH-UHFFFAOYSA-N 0 0 456.336 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)c3cc(COc4ccccc4F)on3)c2C1 ZINC001453159869 1067284839 /nfs/dbraw/zinc/28/48/39/1067284839.db2.gz BSMPVYATDMCJNF-UHFFFAOYSA-N 0 0 453.470 4.896 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)O1 ZINC001546048052 1067284879 /nfs/dbraw/zinc/28/48/79/1067284879.db2.gz HLCXDSIIOUDUID-NDIWIEOSSA-N 0 0 488.076 4.935 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccc1Br ZINC001459296633 1067284938 /nfs/dbraw/zinc/28/49/38/1067284938.db2.gz WBADQVTVQBCAHH-UHFFFAOYSA-N 0 0 456.388 4.612 20 0 JJADRN C[C@@H](C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001459296685 1067285013 /nfs/dbraw/zinc/28/50/13/1067285013.db2.gz SZZWUKWFKOSLOD-HSALFYBXSA-N 0 0 450.579 4.877 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001453169955 1067285271 /nfs/dbraw/zinc/28/52/71/1067285271.db2.gz LHWAVUCOHSOZOW-ZDUSSCGKSA-N 0 0 452.523 4.517 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCNC(=O)c1ccsc1 ZINC001459297016 1067285298 /nfs/dbraw/zinc/28/52/98/1067285298.db2.gz KFTYNOLRJZCVPC-FQEVSTJZSA-N 0 0 457.596 4.799 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC001459297626 1067285471 /nfs/dbraw/zinc/28/54/71/1067285471.db2.gz MPVNZMCREHFKQO-OAQYLSRUSA-N 0 0 452.551 4.931 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nc(C(F)(F)F)n1 ZINC001459298363 1067285908 /nfs/dbraw/zinc/28/59/08/1067285908.db2.gz PZEOETNGNVLKPS-MRXNPFEDSA-N 0 0 450.461 4.958 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC001459298329 1067285927 /nfs/dbraw/zinc/28/59/27/1067285927.db2.gz PRJGDAMDRLWSPP-HHHXNRCGSA-N 0 0 459.565 4.513 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001453175957 1067286430 /nfs/dbraw/zinc/28/64/30/1067286430.db2.gz MNRQKZDRTCHFJG-IBGZPJMESA-N 0 0 452.986 4.817 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1 ZINC001453176755 1067286472 /nfs/dbraw/zinc/28/64/72/1067286472.db2.gz OSTURLRYUIOBIN-AZUAARDMSA-N 0 0 458.002 4.591 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C(C)C)C2)O1 ZINC001546048242 1067286908 /nfs/dbraw/zinc/28/69/08/1067286908.db2.gz JWDSOEVHXXECID-GCKMJXCFSA-N 0 0 483.476 4.978 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)O[C@@H]2CCC[C@H]2Cc2cccc(Cl)c2)C1 ZINC001459300068 1067287043 /nfs/dbraw/zinc/28/70/43/1067287043.db2.gz QTBIOVYIKVJRHR-YZUZCNPQSA-N 0 0 455.982 4.912 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546048258 1067287073 /nfs/dbraw/zinc/28/70/73/1067287073.db2.gz KCEZKFYACVOMPM-CVDCTZTESA-N 0 0 480.531 4.649 20 0 JJADRN COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459301379 1067287379 /nfs/dbraw/zinc/28/73/79/1067287379.db2.gz PFBNYCWDUHHOON-AUSIDOKSSA-N 0 0 452.478 4.935 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546048342 1067287392 /nfs/dbraw/zinc/28/73/92/1067287392.db2.gz KYLFEHQNMWQHKV-LNYUQPRGSA-N 0 0 486.657 4.951 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)cc2)no1 ZINC001459302739 1067287859 /nfs/dbraw/zinc/28/78/59/1067287859.db2.gz JTWUGWBUZMVAFR-IBGZPJMESA-N 0 0 457.914 4.811 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCCO[C@@H](C)C2)O1 ZINC001546048362 1067287804 /nfs/dbraw/zinc/28/78/04/1067287804.db2.gz LDXUCGARBKBRDR-PRCFCKQXSA-N 0 0 493.446 4.679 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)O1 ZINC001546048421 1067288356 /nfs/dbraw/zinc/28/83/56/1067288356.db2.gz LYVKRIRTGNWRKS-IOZGHAEBSA-N 0 0 474.049 4.639 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)O1 ZINC001546048404 1067288438 /nfs/dbraw/zinc/28/84/38/1067288438.db2.gz LODYIKFESBZZMX-CPJSRVTESA-N 0 0 483.016 4.725 20 0 JJADRN Cc1c(F)c(Br)ccc1NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001453206183 1067288835 /nfs/dbraw/zinc/28/88/35/1067288835.db2.gz UUKPCQVPYSKQSP-UNOMPAQXSA-N 0 0 454.299 4.701 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048554 1067289122 /nfs/dbraw/zinc/28/91/22/1067289122.db2.gz NQDFERGJTLYMIJ-YWZLYKJASA-N 0 0 468.465 4.715 20 0 JJADRN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC001453209560 1067289275 /nfs/dbraw/zinc/28/92/75/1067289275.db2.gz FZCUPSZTNBVINB-UHFFFAOYSA-N 0 0 452.898 4.719 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001459309069 1067289720 /nfs/dbraw/zinc/28/97/20/1067289720.db2.gz DOFMCTIVXKKPGX-QGZVFWFLSA-N 0 0 458.624 4.865 20 0 JJADRN COc1ccc(Br)cc1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001459310179 1067290527 /nfs/dbraw/zinc/29/05/27/1067290527.db2.gz MZBIQECYXPSBHN-UHFFFAOYSA-N 0 0 458.183 4.723 20 0 JJADRN O=C(CN1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc(Br)cc1Cl ZINC001459309903 1067290540 /nfs/dbraw/zinc/29/05/40/1067290540.db2.gz MIPFHWDNPOQDHO-UHFFFAOYSA-N 0 0 459.718 4.863 20 0 JJADRN CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC(Cc2cccc(F)c2)CC1 ZINC001459311287 1067290917 /nfs/dbraw/zinc/29/09/17/1067290917.db2.gz CJBOQTMLNGSWAO-GOSISDBHSA-N 0 0 455.393 4.912 20 0 JJADRN COc1ccc(C(NC(=O)CN(C)[C@@H](C)c2cc(F)ccc2F)c2ccc(OC)cc2)cc1 ZINC001459312718 1067291058 /nfs/dbraw/zinc/29/10/58/1067291058.db2.gz KXXCDLKUKXDPPQ-KRWDZBQOSA-N 0 0 454.517 4.881 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1cccc(C)c1C ZINC001459316075 1067292174 /nfs/dbraw/zinc/29/21/74/1067292174.db2.gz HVFLXUJDKCQPET-HXUWFJFHSA-N 0 0 457.324 4.755 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N(C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001453269420 1067292930 /nfs/dbraw/zinc/29/29/30/1067292930.db2.gz PTBOPCMZXXKIEL-UHFFFAOYSA-N 0 0 456.262 4.933 20 0 JJADRN Cc1cccc2cc(C(=O)N(C)[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)c(Cl)nc12 ZINC001459317615 1067293012 /nfs/dbraw/zinc/29/30/12/1067293012.db2.gz XLITYFHRAZZMAH-MRXNPFEDSA-N 0 0 457.983 4.570 20 0 JJADRN Cc1nc(C(=O)N(C)Cc2nc3cc(C(F)(F)F)ccc3[nH]2)nn1-c1ccccc1C(C)C ZINC001453271795 1067293177 /nfs/dbraw/zinc/29/31/77/1067293177.db2.gz VNCVMJNUIQAHLE-UHFFFAOYSA-N 0 0 456.472 4.866 20 0 JJADRN O=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)c1cnn(-c2ccncc2)c1 ZINC001459319626 1067293716 /nfs/dbraw/zinc/29/37/16/1067293716.db2.gz BGWPRFFIASQUEA-UHFFFAOYSA-N 0 0 450.930 4.504 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@H]2C)O1 ZINC001546049127 1067293918 /nfs/dbraw/zinc/29/39/18/1067293918.db2.gz VQOXFOLRTWJNNQ-BONWFUQQSA-N 0 0 450.425 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c2ccccc21 ZINC001453285914 1067293996 /nfs/dbraw/zinc/29/39/96/1067293996.db2.gz IUNRSYSXDUDRDF-FDFHNCONSA-N 0 0 450.579 4.540 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC001459320610 1067294044 /nfs/dbraw/zinc/29/40/44/1067294044.db2.gz DZXUNXXXWHHBLJ-YALMDMJRSA-N 0 0 450.627 4.983 20 0 JJADRN CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cccc(Cl)c1F ZINC001459320253 1067294107 /nfs/dbraw/zinc/29/41/07/1067294107.db2.gz CNZBJBFJEGHNKF-LBPRGKRZSA-N 0 0 453.739 4.646 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)c1cccc(C)c1C ZINC001459322850 1067294454 /nfs/dbraw/zinc/29/44/54/1067294454.db2.gz ZHXKYKUIFKRVOF-NRFANRHFSA-N 0 0 459.468 4.851 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)O1 ZINC001546049197 1067294899 /nfs/dbraw/zinc/29/48/99/1067294899.db2.gz WVVWABWUBBMYGL-UTKZUKDTSA-N 0 0 466.424 4.704 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CNC(=O)OC(C)(C)C)cc3)CCC2=O)cc1C ZINC001459324288 1067294930 /nfs/dbraw/zinc/29/49/30/1067294930.db2.gz DXERDSPGPVNAQD-FQEVSTJZSA-N 0 0 451.567 4.710 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC001459325665 1067295361 /nfs/dbraw/zinc/29/53/61/1067295361.db2.gz FXLBVWCHTDVXHT-UHFFFAOYSA-N 0 0 453.520 4.816 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)O1 ZINC001546049256 1067295365 /nfs/dbraw/zinc/29/53/65/1067295365.db2.gz XQPWDXFXSBHYRP-JTSKRJEESA-N 0 0 453.414 4.808 20 0 JJADRN CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001453304220 1067295885 /nfs/dbraw/zinc/29/58/85/1067295885.db2.gz SIAGIYCHEKMYHY-UHFFFAOYSA-N 0 0 450.530 4.570 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(=O)OC)CC2)O1 ZINC001546049400 1067296455 /nfs/dbraw/zinc/29/64/55/1067296455.db2.gz ZFTNESLUWDCQOP-KCWPFWIISA-N 0 0 499.656 4.606 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459332642 1067296595 /nfs/dbraw/zinc/29/65/95/1067296595.db2.gz IGPAGRRKGSOQFU-GOSISDBHSA-N 0 0 450.333 4.900 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc4ccc(O)cc4c3O)CC2)C1 ZINC001453316561 1067296802 /nfs/dbraw/zinc/29/68/02/1067296802.db2.gz CUFYNZPFFRCRBV-LJQANCHMSA-N 0 0 454.567 4.750 20 0 JJADRN O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(-n2ccccc2=O)cc1F ZINC001453317072 1067296841 /nfs/dbraw/zinc/29/68/41/1067296841.db2.gz WXAVFDVUUQNYQZ-VWLOTQADSA-N 0 0 458.489 4.618 20 0 JJADRN Cn1cc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(C2CCCCC2)n1 ZINC001453321792 1067297208 /nfs/dbraw/zinc/29/72/08/1067297208.db2.gz GHAVVNWBWSCCEO-NRFANRHFSA-N 0 0 458.647 4.967 20 0 JJADRN O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(N2CCOC2=O)ccc1F ZINC001459335761 1067297351 /nfs/dbraw/zinc/29/73/51/1067297351.db2.gz NRKDVUJYPDSSBS-SFHVURJKSA-N 0 0 451.267 4.565 20 0 JJADRN CCOc1cc(/C=C\C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1O ZINC001453329025 1067298227 /nfs/dbraw/zinc/29/82/27/1067298227.db2.gz DLLNQBSACSRAGM-IZKUIKQZSA-N 0 0 458.599 4.690 20 0 JJADRN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459338265 1067298313 /nfs/dbraw/zinc/29/83/13/1067298313.db2.gz OODHFBZIEXGIRH-NRFANRHFSA-N 0 0 454.442 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001453334607 1067298571 /nfs/dbraw/zinc/29/85/71/1067298571.db2.gz YKJNKXKWXWHCSR-SFHVURJKSA-N 0 0 451.405 4.948 20 0 JJADRN Cc1noc(-c2ccc(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)n1 ZINC001453339831 1067299027 /nfs/dbraw/zinc/29/90/27/1067299027.db2.gz OZHVQNDUGBONMK-OAQYLSRUSA-N 0 0 454.571 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)c3ncoc3CCC(F)(F)F)C2)CC1 ZINC001453341224 1067299386 /nfs/dbraw/zinc/29/93/86/1067299386.db2.gz RNEYGCYKXNXKCE-INIZCTEOSA-N 0 0 459.509 4.669 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](C)c2ccccn2)cc1NC(=O)c1ccc(Br)cc1 ZINC001453353925 1067299998 /nfs/dbraw/zinc/29/99/98/1067299998.db2.gz FBHLUGPHPQKLDO-MRXNPFEDSA-N 0 0 452.352 4.938 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(NC(C)C)c1 ZINC001453351357 1067300103 /nfs/dbraw/zinc/30/01/03/1067300103.db2.gz XWLQIUHKSAUMQU-UHFFFAOYSA-N 0 0 457.615 4.877 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1OC ZINC001453359693 1067300438 /nfs/dbraw/zinc/30/04/38/1067300438.db2.gz IWASJZIOJRHWTG-UHFFFAOYSA-N 0 0 456.848 4.794 20 0 JJADRN C[C@]12CCN(C(=O)c3ccc(Cn4cccc4)cc3)C[C@H]1C2(Br)Br ZINC001453355419 1067300560 /nfs/dbraw/zinc/30/05/60/1067300560.db2.gz KFNNNYQTKQBBEF-AEFFLSMTSA-N 0 0 452.190 4.505 20 0 JJADRN C[C@]12CCN(C(=O)c3cc4cc(Cl)sc4[nH]3)C[C@H]1C2(Br)Br ZINC001453363858 1067300819 /nfs/dbraw/zinc/30/08/19/1067300819.db2.gz FBEVRHPANJNXFX-RNCFNFMXSA-N 0 0 452.599 4.851 20 0 JJADRN C[C@]12CCN(C(=O)c3c(F)cccc3Br)C[C@H]1C2(Br)Br ZINC001453363984 1067301107 /nfs/dbraw/zinc/30/11/07/1067301107.db2.gz GGZKGMMVYDVQGZ-MFKMUULPSA-N 0 0 469.974 4.556 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001459351776 1067301256 /nfs/dbraw/zinc/30/12/56/1067301256.db2.gz WJCZKCXZLIPWRB-IBGZPJMESA-N 0 0 455.769 4.709 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001453371561 1067301460 /nfs/dbraw/zinc/30/14/60/1067301460.db2.gz YTVBUYKSJCKIIU-ZWKOTPCHSA-N 0 0 458.480 4.968 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1 ZINC001453369307 1067301577 /nfs/dbraw/zinc/30/15/77/1067301577.db2.gz JHSSRPNSGBVKHF-DLBZAZTESA-N 0 0 473.447 4.582 20 0 JJADRN CN(CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459352654 1067301724 /nfs/dbraw/zinc/30/17/24/1067301724.db2.gz PIXVZPNBIDLFTO-CRAIPNDOSA-N 0 0 454.404 4.707 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)n1 ZINC001453377547 1067301976 /nfs/dbraw/zinc/30/19/76/1067301976.db2.gz DOFPIJTYQQKAIG-HNNXBMFYSA-N 0 0 453.996 4.609 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001453376192 1067302023 /nfs/dbraw/zinc/30/20/23/1067302023.db2.gz PUYTVLDTRCHWGA-UHFFFAOYSA-N 0 0 454.448 4.851 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)c1 ZINC001453378663 1067302650 /nfs/dbraw/zinc/30/26/50/1067302650.db2.gz HLYNBCSAKKHUDU-UHFFFAOYSA-N 0 0 459.587 4.972 20 0 JJADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001459360747 1067302852 /nfs/dbraw/zinc/30/28/52/1067302852.db2.gz ANAUKOKSPWDFQV-CQSZACIVSA-N 0 0 454.445 4.832 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC001453393489 1067302825 /nfs/dbraw/zinc/30/28/25/1067302825.db2.gz HPMSZSXQUQBPAV-HXUWFJFHSA-N 0 0 450.645 4.621 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001459360739 1067302967 /nfs/dbraw/zinc/30/29/67/1067302967.db2.gz ANAUKOKSPWDFQV-AWEZNQCLSA-N 0 0 454.445 4.832 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccncc1 ZINC001459364363 1067303872 /nfs/dbraw/zinc/30/38/72/1067303872.db2.gz KFIQVFLRXRVDNO-UPVQGACJSA-N 0 0 456.514 4.788 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC001453397740 1067303903 /nfs/dbraw/zinc/30/39/03/1067303903.db2.gz IFJMTKOBAGWUFQ-IBGZPJMESA-N 0 0 454.324 4.598 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)c1 ZINC001459365438 1067303927 /nfs/dbraw/zinc/30/39/27/1067303927.db2.gz CAGGGNBVKMAIRG-UHFFFAOYSA-N 0 0 456.315 4.718 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)C(C)(C)Sc2ccc(Br)cc2)CC1 ZINC001459364466 1067303974 /nfs/dbraw/zinc/30/39/74/1067303974.db2.gz LSRIQCKVKBNRMR-AWEZNQCLSA-N 0 0 457.434 4.693 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC001459364449 1067304033 /nfs/dbraw/zinc/30/40/33/1067304033.db2.gz LOTSGTAOKPXHHJ-FQEVSTJZSA-N 0 0 450.347 4.720 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459365267 1067304056 /nfs/dbraw/zinc/30/40/56/1067304056.db2.gz AXXDTXNITAKCED-PKOBYXMFSA-N 0 0 458.249 4.869 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccncc1 ZINC001459364357 1067304094 /nfs/dbraw/zinc/30/40/94/1067304094.db2.gz KFIQVFLRXRVDNO-ISKFKSNPSA-N 0 0 456.514 4.788 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001453397138 1067304110 /nfs/dbraw/zinc/30/41/10/1067304110.db2.gz ISWQWDVRCRIAIB-GOSISDBHSA-N 0 0 458.584 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cnn(CC4CCCC4)c3)cc2)C1 ZINC001453397044 1067304128 /nfs/dbraw/zinc/30/41/28/1067304128.db2.gz ILSYKHACIRUTJS-QFIPXVFZSA-N 0 0 454.571 4.634 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)C1(c2ccc(Br)cc2)CCCCC1)c1ccncc1 ZINC001459367387 1067304329 /nfs/dbraw/zinc/30/43/29/1067304329.db2.gz SGPFTXSEVCXGBR-JOCHJYFZSA-N 0 0 459.384 4.641 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccncc1 ZINC001459366655 1067304373 /nfs/dbraw/zinc/30/43/73/1067304373.db2.gz ORJPXMBPRXAONI-JOCHJYFZSA-N 0 0 459.384 4.641 20 0 JJADRN CN(C)C(=O)c1ccc(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cc1 ZINC001459366077 1067304407 /nfs/dbraw/zinc/30/44/07/1067304407.db2.gz DNSYCAMHGONQEO-UHFFFAOYSA-N 0 0 456.315 4.532 20 0 JJADRN Cc1nc(C(=O)Oc2ccc(NC(=O)c3cccnc3)cc2C)nn1-c1ccccc1C(C)C ZINC001459369299 1067304929 /nfs/dbraw/zinc/30/49/29/1067304929.db2.gz BHJLDGSAGULGMQ-UHFFFAOYSA-N 0 0 455.518 4.874 20 0 JJADRN O=C(CCc1ccc(Cl)cc1Cl)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453407559 1067305008 /nfs/dbraw/zinc/30/50/08/1067305008.db2.gz PCLLJBPQTUGNLS-HXUWFJFHSA-N 0 0 457.195 4.725 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)O1 ZINC001546050871 1067305240 /nfs/dbraw/zinc/30/52/40/1067305240.db2.gz CQERPVJZKIZOIV-SQJMNOBHSA-N 0 0 450.587 4.506 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)O1 ZINC001546050868 1067305295 /nfs/dbraw/zinc/30/52/95/1067305295.db2.gz CQERPVJZKIZOIV-BWKNWUBXSA-N 0 0 450.587 4.506 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001459370114 1067305328 /nfs/dbraw/zinc/30/53/28/1067305328.db2.gz YWOQKPHVZFXEBP-LQGLAIQGSA-N 0 0 450.579 4.742 20 0 JJADRN O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001453416565 1067305365 /nfs/dbraw/zinc/30/53/65/1067305365.db2.gz ICIMIDOCMGEKAR-UHFFFAOYSA-N 0 0 459.193 4.922 20 0 JJADRN CCC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC001453431393 1067305656 /nfs/dbraw/zinc/30/56/56/1067305656.db2.gz NIBIGRVENMHSLB-UHFFFAOYSA-N 0 0 454.573 4.591 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001459371738 1067305770 /nfs/dbraw/zinc/30/57/70/1067305770.db2.gz CYLNRAOIPMMPAL-NRFANRHFSA-N 0 0 452.558 4.831 20 0 JJADRN Cc1ccc(NC(=O)NC(=O)CN(Cc2cc(Br)ccc2F)C(C)C)c(C)c1 ZINC001459372861 1067306114 /nfs/dbraw/zinc/30/61/14/1067306114.db2.gz FQEAACUFIRQTBW-UHFFFAOYSA-N 0 0 450.352 4.764 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546051007 1067306252 /nfs/dbraw/zinc/30/62/52/1067306252.db2.gz FLZKPKLXBQDGQQ-RLWLMLJZSA-N 0 0 465.598 4.650 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001459377185 1067307260 /nfs/dbraw/zinc/30/72/60/1067307260.db2.gz OUGNYSJTPYVLJP-INIZCTEOSA-N 0 0 459.974 4.979 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C12CCC2 ZINC001453468808 1067307214 /nfs/dbraw/zinc/30/72/14/1067307214.db2.gz RYVFHTYNXQCVIY-HQWTYURQSA-N 0 0 456.446 4.579 20 0 JJADRN CC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC001453468549 1067307223 /nfs/dbraw/zinc/30/72/23/1067307223.db2.gz RFCLCMQFZPPZLY-QHCPKHFHSA-N 0 0 450.604 4.615 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1OCCC ZINC001453458180 1067307267 /nfs/dbraw/zinc/30/72/67/1067307267.db2.gz BBJCGLLJJXUSFM-DNQXCXABSA-N 0 0 451.563 4.529 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(C(=O)CCSc1ccnc3cc(Cl)ccc31)CC2 ZINC001453468442 1067307303 /nfs/dbraw/zinc/30/73/03/1067307303.db2.gz CMZMTNDDNVRLPK-UHFFFAOYSA-N 0 0 458.942 4.881 20 0 JJADRN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001453477841 1067307541 /nfs/dbraw/zinc/30/75/41/1067307541.db2.gz KOTKVSIEJYYPOK-UHFFFAOYSA-N 0 0 453.470 4.950 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001459378915 1067307727 /nfs/dbraw/zinc/30/77/27/1067307727.db2.gz QXBOCRWCZFBFDX-GOSISDBHSA-N 0 0 458.649 4.612 20 0 JJADRN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001453483036 1067308424 /nfs/dbraw/zinc/30/84/24/1067308424.db2.gz VCOQRWOMTJDJRB-LJQANCHMSA-N 0 0 456.867 4.551 20 0 JJADRN CC[C@H](C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(Br)cc1 ZINC001453482055 1067308594 /nfs/dbraw/zinc/30/85/94/1067308594.db2.gz SMRSFJRAOZFUFV-PMACEKPBSA-N 0 0 451.792 4.618 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cc1OC ZINC001453480475 1067308607 /nfs/dbraw/zinc/30/86/07/1067308607.db2.gz ARUGNSAKOHQSND-QGZVFWFLSA-N 0 0 454.748 4.724 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCc3sc(Br)cc3C1)O2 ZINC001453489081 1067308824 /nfs/dbraw/zinc/30/88/24/1067308824.db2.gz HKVYYZHCSLZWBS-OAQYLSRUSA-N 0 0 450.398 4.810 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546051732 1067308979 /nfs/dbraw/zinc/30/89/79/1067308979.db2.gz OCCMTIUFYVZYQY-FOIQADDNSA-N 0 0 472.939 4.840 20 0 JJADRN COc1ccc(C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cn2)cc1I ZINC001459383338 1067309053 /nfs/dbraw/zinc/30/90/53/1067309053.db2.gz WKKDOTZTEFJLBZ-VIFPVBQESA-N 0 0 451.182 4.632 20 0 JJADRN COC(=O)c1cccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1OC(C)C ZINC001459382201 1067309171 /nfs/dbraw/zinc/30/91/71/1067309171.db2.gz ZYIHQDLATDLJOI-UHFFFAOYSA-N 0 0 453.564 4.725 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001453496972 1067309473 /nfs/dbraw/zinc/30/94/73/1067309473.db2.gz WEAPPROLPOYKBJ-UHFFFAOYSA-N 0 0 453.210 4.893 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)C1 ZINC001546108464 1067309718 /nfs/dbraw/zinc/30/97/18/1067309718.db2.gz BYJNDISAZYEGAC-KBMIEXCESA-N 0 0 475.678 4.570 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2cccc(Br)c2)C2CC2)n(-c2ccccc2F)n1 ZINC001459387248 1067310021 /nfs/dbraw/zinc/31/00/21/1067310021.db2.gz QRMQYUQCNYEZDT-UHFFFAOYSA-N 0 0 457.347 4.685 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546052139 1067310571 /nfs/dbraw/zinc/31/05/71/1067310571.db2.gz RZZCOMGKQKJPED-HYBUGGRVSA-N 0 0 457.525 4.926 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@H](c2ccccc2Br)C1 ZINC001459389466 1067310569 /nfs/dbraw/zinc/31/05/69/1067310569.db2.gz CXQSUNAOQLKSRB-QRWLVFNGSA-N 0 0 451.792 4.695 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CN(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387714 1067310590 /nfs/dbraw/zinc/31/05/90/1067310590.db2.gz NHEXRFMYZHQRMH-INIZCTEOSA-N 0 0 452.473 4.530 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CN(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459387718 1067310786 /nfs/dbraw/zinc/31/07/86/1067310786.db2.gz NHEXRFMYZHQRMH-MRXNPFEDSA-N 0 0 452.473 4.530 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)O1 ZINC001546052400 1067311333 /nfs/dbraw/zinc/31/13/33/1067311333.db2.gz WNGVMSGOCZEZHJ-DNVFCKCGSA-N 0 0 465.564 4.674 20 0 JJADRN COc1cccc([C@H](C)CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453536400 1067311803 /nfs/dbraw/zinc/31/18/03/1067311803.db2.gz CKSVWLIMRROPAC-AYBZRNKSSA-N 0 0 458.521 4.741 20 0 JJADRN CC(C)Cc1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453534836 1067311852 /nfs/dbraw/zinc/31/18/52/1067311852.db2.gz AIBFDUAUSHRSBL-WOJBJXKFSA-N 0 0 456.549 4.979 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cccc1F ZINC001453541169 1067312349 /nfs/dbraw/zinc/31/23/49/1067312349.db2.gz IWCPINLKPQXVNI-MELADBBJSA-N 0 0 450.448 4.620 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CC[C@@H]1C(F)(F)F ZINC001453541281 1067312426 /nfs/dbraw/zinc/31/24/26/1067312426.db2.gz JAZOEZZWFOSVPC-HOTGVXAUSA-N 0 0 453.461 4.507 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cccc1F ZINC001453541161 1067312502 /nfs/dbraw/zinc/31/25/02/1067312502.db2.gz IWCPINLKPQXVNI-IHRRRGAJSA-N 0 0 450.448 4.620 20 0 JJADRN CC(C)COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453542331 1067312540 /nfs/dbraw/zinc/31/25/40/1067312540.db2.gz KNSAYNSZKOENHQ-IEBWSBKVSA-N 0 0 458.521 4.887 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)CCCN(Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001459395529 1067312513 /nfs/dbraw/zinc/31/25/13/1067312513.db2.gz RGVINXRYROVLJC-UHFFFAOYSA-N 0 0 456.530 4.738 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453544985 1067312855 /nfs/dbraw/zinc/31/28/55/1067312855.db2.gz NMTPGYSXRJQHHT-KURKYZTESA-N 0 0 458.521 4.704 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC001453543592 1067312918 /nfs/dbraw/zinc/31/29/18/1067312918.db2.gz MKXBDAGWMLUSLI-CMPLNLGQSA-N 0 0 456.292 4.554 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1CCCS(=O)(=O)c1ccc(C)cc1 ZINC001459398154 1067313096 /nfs/dbraw/zinc/31/30/96/1067313096.db2.gz LRSVTHZETOXIFI-HXUWFJFHSA-N 0 0 452.414 4.767 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)N1CCCc2cccc(CNC(=O)OC(C)(C)C)c21 ZINC001453546979 1067313269 /nfs/dbraw/zinc/31/32/69/1067313269.db2.gz QFCAUOMKMRSACL-GOSISDBHSA-N 0 0 458.990 4.930 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)cn2)C1 ZINC001453548886 1067313766 /nfs/dbraw/zinc/31/37/66/1067313766.db2.gz JHNMOWBYOYYCQT-MRXNPFEDSA-N 0 0 453.370 4.692 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001453549447 1067313797 /nfs/dbraw/zinc/31/37/97/1067313797.db2.gz SXEOFWVWTHOQCV-SJORKVTESA-N 0 0 451.489 4.847 20 0 JJADRN CCN(CC)C(=O)CCC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br ZINC001459401225 1067313600 /nfs/dbraw/zinc/31/36/00/1067313600.db2.gz FNAICBDZMQIUIX-UHFFFAOYSA-N 0 0 451.430 4.996 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC001459401862 1067313715 /nfs/dbraw/zinc/31/37/15/1067313715.db2.gz BHFICHJILUPFHN-GFCCVEGCSA-N 0 0 450.794 4.917 20 0 JJADRN CCCC(C)(C)N(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC001459401251 1067313865 /nfs/dbraw/zinc/31/38/65/1067313865.db2.gz GWLRYYCSOYYWIF-UHFFFAOYSA-N 0 0 452.642 4.665 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001546108614 1067313908 /nfs/dbraw/zinc/31/39/08/1067313908.db2.gz GXEIINTWFOBWSC-NRFANRHFSA-N 0 0 454.619 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453550920 1067314089 /nfs/dbraw/zinc/31/40/89/1067314089.db2.gz PGIKQHZPWPGWAX-SFHVURJKSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCCC1 ZINC001453550946 1067314166 /nfs/dbraw/zinc/31/41/66/1067314166.db2.gz PLJKBSHWVINLSA-UHFFFAOYSA-N 0 0 451.405 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453551274 1067314180 /nfs/dbraw/zinc/31/41/80/1067314180.db2.gz PZALQROPOFMNAF-SFHVURJKSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)Nc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001453566948 1067314838 /nfs/dbraw/zinc/31/48/38/1067314838.db2.gz OJSYVLIMXZZPHU-KRWDZBQOSA-N 0 0 456.384 4.750 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1Cl ZINC001453575273 1067315230 /nfs/dbraw/zinc/31/52/30/1067315230.db2.gz GHERVHMUIJHQDY-PZJWPPBQSA-N 0 0 458.986 4.801 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Oc2cnc3c(Br)cccc3c2)C1)OCc1ccccc1 ZINC001459410569 1067315650 /nfs/dbraw/zinc/31/56/50/1067315650.db2.gz IGVPYDSUSCHMRO-CALCHBBNSA-N 0 0 455.308 4.608 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)ccn1Cc1ccccc1 ZINC001453580124 1067315997 /nfs/dbraw/zinc/31/59/97/1067315997.db2.gz KJHCITDJXGSYIM-LOSJGSFVSA-N 0 0 459.590 4.978 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001459412340 1067316640 /nfs/dbraw/zinc/31/66/40/1067316640.db2.gz LDIRVLDQCCMLIZ-SFHVURJKSA-N 0 0 450.970 4.542 20 0 JJADRN Cc1[nH]c(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c(C)c1C(=O)OC(C)C ZINC001453586854 1067316628 /nfs/dbraw/zinc/31/66/28/1067316628.db2.gz GSERDWRHNTUNJD-VQIMIIECSA-N 0 0 463.619 4.742 20 0 JJADRN C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cc(F)c(Br)cc1F ZINC001453599709 1067316917 /nfs/dbraw/zinc/31/69/17/1067316917.db2.gz DXFSKHGVVYSDPU-JTQLQIEISA-N 0 0 459.287 4.836 20 0 JJADRN C[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001453594486 1067316938 /nfs/dbraw/zinc/31/69/38/1067316938.db2.gz IBDIXTLTWQNDGY-APWZRJJASA-N 0 0 451.654 4.760 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC001453599614 1067317149 /nfs/dbraw/zinc/31/71/49/1067317149.db2.gz AYHBJNCFIPCDGL-BATDWUPUSA-N 0 0 458.462 4.827 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)/C(C)=C\c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC001453600557 1067317488 /nfs/dbraw/zinc/31/74/88/1067317488.db2.gz GAIVQUXNBIDQJQ-QBFSEMIESA-N 0 0 454.470 4.638 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2SC)O1 ZINC001546053443 1067317857 /nfs/dbraw/zinc/31/78/57/1067317857.db2.gz AQDGZQMUKDMVLJ-OFVILXPXSA-N 0 0 451.640 4.970 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413823 1067318068 /nfs/dbraw/zinc/31/80/68/1067318068.db2.gz JBEYRBJMGUGYAX-IFMALSPDSA-N 0 0 451.611 4.841 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001453604480 1067318262 /nfs/dbraw/zinc/31/82/62/1067318262.db2.gz ZVCPEUGZOLNPTK-KBXCAEBGSA-N 0 0 451.489 4.639 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453607289 1067318743 /nfs/dbraw/zinc/31/87/43/1067318743.db2.gz PGDMASCLLYGSNJ-PXNSSMCTSA-N 0 0 456.574 4.595 20 0 JJADRN CC(C)COC(=O)N1CCCN(CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CC1 ZINC001459416434 1067318850 /nfs/dbraw/zinc/31/88/50/1067318850.db2.gz IIGVLVQDEGXGHI-UHFFFAOYSA-N 0 0 458.628 4.672 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)O1 ZINC001546053586 1067319572 /nfs/dbraw/zinc/31/95/72/1067319572.db2.gz CMKQOGSIXGWZBW-HOYKHHGWSA-N 0 0 459.516 4.665 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC001459419341 1067320058 /nfs/dbraw/zinc/32/00/58/1067320058.db2.gz QYSCISWJTDSPNT-HSZRJFAPSA-N 0 0 458.602 4.924 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccnc2OC)C1 ZINC001546108720 1067320154 /nfs/dbraw/zinc/32/01/54/1067320154.db2.gz JMZKYTWGQIYORU-HXUWFJFHSA-N 0 0 498.672 4.861 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC001459420659 1067320577 /nfs/dbraw/zinc/32/05/77/1067320577.db2.gz UAFVKWVASIKDGT-DHIUTWEWSA-N 0 0 457.618 4.573 20 0 JJADRN O=C(CN1CCN(C(=O)CCCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC001459421596 1067320606 /nfs/dbraw/zinc/32/06/06/1067320606.db2.gz ZINSGXTXOJKBKV-UHFFFAOYSA-N 0 0 457.574 4.585 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001546108731 1067320634 /nfs/dbraw/zinc/32/06/34/1067320634.db2.gz JVWYNDWPGRZNKH-QHAWAJNXSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)(CCCc1ccccc1)C(=O)NCCOc1ccc(I)cc1 ZINC001459423425 1067321321 /nfs/dbraw/zinc/32/13/21/1067321321.db2.gz JSVLUWUWPULLGL-UHFFFAOYSA-N 0 0 451.348 4.835 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC001459423006 1067321426 /nfs/dbraw/zinc/32/14/26/1067321426.db2.gz BLHOGQXPQODPPP-UHFFFAOYSA-N 0 0 459.718 4.789 20 0 JJADRN Cc1c2ccc(F)cc2sc1C(=O)NCCOc1ccc(I)cc1 ZINC001459423268 1067321554 /nfs/dbraw/zinc/32/15/54/1067321554.db2.gz HVPKNACWPJZLIE-UHFFFAOYSA-N 0 0 455.292 4.762 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546053843 1067321456 /nfs/dbraw/zinc/32/14/56/1067321456.db2.gz GIOLKRBQBACQLE-MPCDZSKCSA-N 0 0 463.667 4.660 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546053845 1067321471 /nfs/dbraw/zinc/32/14/71/1067321471.db2.gz GIOLKRBQBACQLE-WYEJZRMESA-N 0 0 463.667 4.660 20 0 JJADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@H](C(F)F)C1CCCCC1 ZINC001453682769 1067321752 /nfs/dbraw/zinc/32/17/52/1067321752.db2.gz BDBQPHFXRHSTAF-SFHVURJKSA-N 0 0 455.596 4.839 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)C1=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C1)C(C)(C)C[C@@H]2C ZINC001459423639 1067321938 /nfs/dbraw/zinc/32/19/38/1067321938.db2.gz CXMOACAKRNWNRE-KSFYIVLOSA-N 0 0 450.558 4.688 20 0 JJADRN COCCCCN(C(=O)c1cc(N(C)C)c2ccccc2n1)c1ccc(Br)cn1 ZINC001459424871 1067322158 /nfs/dbraw/zinc/32/21/58/1067322158.db2.gz GONACAJPWCFIML-UHFFFAOYSA-N 0 0 457.372 4.532 20 0 JJADRN COc1ccc(CNC(=O)/C=C/C(=O)Nc2c(F)cc(F)cc2Oc2ccccc2C)cc1 ZINC001453686726 1067322187 /nfs/dbraw/zinc/32/21/87/1067322187.db2.gz KBNMOCXRACXQLL-VAWYXSNFSA-N 0 0 452.457 4.885 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2COC(C)(C)OC2)O1 ZINC001546053900 1067322437 /nfs/dbraw/zinc/32/24/37/1067322437.db2.gz GUPKCIHPQFESEO-PXDATVDWSA-N 0 0 477.049 4.705 20 0 JJADRN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCC(c2cccc(Cl)c2)CC1 ZINC001459425125 1067322582 /nfs/dbraw/zinc/32/25/82/1067322582.db2.gz RYLMYIASPNLDDP-UHFFFAOYSA-N 0 0 453.029 4.596 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)Cc2ccccc2OC)O1 ZINC001546053906 1067322817 /nfs/dbraw/zinc/32/28/17/1067322817.db2.gz GXYZMHLYJJIVEZ-HRRBBWQUSA-N 0 0 463.626 4.688 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@](C)(CO)c3cccc(C(F)(F)F)c3)cc2)c(C)c1Cl ZINC001453696734 1067323131 /nfs/dbraw/zinc/32/31/31/1067323131.db2.gz IZICHEBHIJCEMA-OAQYLSRUSA-N 0 0 451.876 4.799 20 0 JJADRN C[C@@](CO)(NC(=O)Cc1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001453698052 1067323271 /nfs/dbraw/zinc/32/32/71/1067323271.db2.gz LHTBIACXDMWNGA-KRWDZBQOSA-N 0 0 450.682 4.688 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@@](C)(CO)c3cccc(C(F)(F)F)c3)cc2)c(C)c1Cl ZINC001453696721 1067323286 /nfs/dbraw/zinc/32/32/86/1067323286.db2.gz IZICHEBHIJCEMA-NRFANRHFSA-N 0 0 451.876 4.799 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459429545 1067323903 /nfs/dbraw/zinc/32/39/03/1067323903.db2.gz ZTVOWQSJQWMPAV-QYBDOPJKSA-N 0 0 453.583 4.608 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)cc21 ZINC001453708470 1067324057 /nfs/dbraw/zinc/32/40/57/1067324057.db2.gz HPOWGARJSAEVPK-JTHBVZDNSA-N 0 0 450.579 4.925 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2scnc2C)O1 ZINC001546054035 1067324146 /nfs/dbraw/zinc/32/41/46/1067324146.db2.gz IWPKUCLVODJYFR-DVECYGJZSA-N 0 0 455.628 4.627 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546054367 1067324688 /nfs/dbraw/zinc/32/46/88/1067324688.db2.gz NEXOPWPTOJXQAR-WXVAWEFUSA-N 0 0 479.625 4.574 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001459435880 1067324728 /nfs/dbraw/zinc/32/47/28/1067324728.db2.gz HZUJECWVJPXJGO-LBPRGKRZSA-N 0 0 458.748 4.571 20 0 JJADRN Cn1nccc1[C@H]1CCCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 ZINC001459434173 1067324834 /nfs/dbraw/zinc/32/48/34/1067324834.db2.gz GJMNWTDVVQKROJ-AWEZNQCLSA-N 0 0 459.319 4.529 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)C1 ZINC001546108906 1067325079 /nfs/dbraw/zinc/32/50/79/1067325079.db2.gz NXMOGOOIAORKQS-OAQYLSRUSA-N 0 0 487.645 4.861 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(C)C)c21 ZINC001453736622 1067325173 /nfs/dbraw/zinc/32/51/73/1067325173.db2.gz KCKPMHKTNDRREO-IBGZPJMESA-N 0 0 456.587 4.941 20 0 JJADRN O=C(Cc1cccc(C2CC2)c1)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001453737057 1067325220 /nfs/dbraw/zinc/32/52/20/1067325220.db2.gz MFXWWVYYKHERRV-UHFFFAOYSA-N 0 0 456.384 4.682 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(C)C)c21 ZINC001453736636 1067325264 /nfs/dbraw/zinc/32/52/64/1067325264.db2.gz KCKPMHKTNDRREO-LJQANCHMSA-N 0 0 456.587 4.941 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC001546054424 1067325678 /nfs/dbraw/zinc/32/56/78/1067325678.db2.gz NVGJZCNNBBYNNM-AJTFRIOCSA-N 0 0 467.658 4.743 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)n2)c(C)c1 ZINC001459450144 1067326333 /nfs/dbraw/zinc/32/63/33/1067326333.db2.gz RTMZJWBXPVLKSF-GOSISDBHSA-N 0 0 458.628 4.615 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N(CC)Cc1ccc(OC)cc1OC ZINC001459450315 1067326555 /nfs/dbraw/zinc/32/65/55/1067326555.db2.gz NJKRMESQVZPARL-HXUWFJFHSA-N 0 0 454.336 4.732 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)O1 ZINC001546054465 1067326781 /nfs/dbraw/zinc/32/67/81/1067326781.db2.gz OMHQDQIUFVUCHC-IUKKYPGJSA-N 0 0 450.986 4.949 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)O1 ZINC001546054467 1067326817 /nfs/dbraw/zinc/32/68/17/1067326817.db2.gz OMHQDQIUFVUCHC-YZZKKUAISA-N 0 0 450.986 4.949 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC001453749008 1067327120 /nfs/dbraw/zinc/32/71/20/1067327120.db2.gz SALOCVUXWGCEIR-PISNEZEASA-N 0 0 453.365 4.711 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546054592 1067327143 /nfs/dbraw/zinc/32/71/43/1067327143.db2.gz PLGSUFKIMAKMOM-DENIHFKCSA-N 0 0 463.395 4.845 20 0 JJADRN CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455024 1067327604 /nfs/dbraw/zinc/32/76/04/1067327604.db2.gz OYOCKSJIQSJANG-HHHXNRCGSA-N 0 0 450.554 4.913 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)Nc3ccccc3-c3ncco3)c2)c1 ZINC001453767268 1067327954 /nfs/dbraw/zinc/32/79/54/1067327954.db2.gz HTLSNCVHIKEXCN-UHFFFAOYSA-N 0 0 459.458 4.569 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCCCc2cc(Br)ccc21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001453767910 1067328155 /nfs/dbraw/zinc/32/81/55/1067328155.db2.gz ILZWLRIVLWSDGK-KUHUBIRLSA-N 0 0 451.405 4.836 20 0 JJADRN O=C(OCc1nc(-c2ccccn2)cs1)c1ccc(I)cc1Cl ZINC001459458990 1067328940 /nfs/dbraw/zinc/32/89/40/1067328940.db2.gz CNGQGBSPSKAIDU-UHFFFAOYSA-N 0 0 456.692 4.820 20 0 JJADRN O=C(OCc1nc(-c2ccccn2)cs1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001459458719 1067328949 /nfs/dbraw/zinc/32/89/49/1067328949.db2.gz AYBNFYVBIPEUNA-HXUWFJFHSA-N 0 0 458.381 4.848 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001453779664 1067329411 /nfs/dbraw/zinc/32/94/11/1067329411.db2.gz HDYWVWBTVURFRI-GOSISDBHSA-N 0 0 457.415 4.971 20 0 JJADRN Cc1ccc(NC(=O)CN(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460748 1067329570 /nfs/dbraw/zinc/32/95/70/1067329570.db2.gz WVRIZDVYVCFFRW-QFIPXVFZSA-N 0 0 455.574 4.974 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1O)NC(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001453786826 1067329794 /nfs/dbraw/zinc/32/97/94/1067329794.db2.gz NBAYAOLDADNXBG-BDTOHLRRSA-N 0 0 462.373 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)[C@@H](c2cccc(F)c2)C1 ZINC001459462238 1067329890 /nfs/dbraw/zinc/32/98/90/1067329890.db2.gz FQTSOXAJQISNNS-HSZRJFAPSA-N 0 0 453.558 4.860 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001453817737 1067330551 /nfs/dbraw/zinc/33/05/51/1067330551.db2.gz UZFYCCSYYRXJKI-AWEZNQCLSA-N 0 0 459.333 4.843 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC001453819043 1067330581 /nfs/dbraw/zinc/33/05/81/1067330581.db2.gz NUUMWJDAFGRDBG-XOEAQNFMSA-N 0 0 455.860 4.544 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546055231 1067331009 /nfs/dbraw/zinc/33/10/09/1067331009.db2.gz YFMRXFWINOWPME-ZLIGTFTASA-N 0 0 497.684 4.971 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459464805 1067331370 /nfs/dbraw/zinc/33/13/70/1067331370.db2.gz MSYORNPCVNPJOH-MSOLQXFVSA-N 0 0 461.747 4.708 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546055277 1067331496 /nfs/dbraw/zinc/33/14/96/1067331496.db2.gz YVONSQRZEIGJHL-OFVILXPXSA-N 0 0 471.552 4.849 20 0 JJADRN Cc1c(C(=O)NCc2ccsc2Br)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001459465159 1067331464 /nfs/dbraw/zinc/33/14/64/1067331464.db2.gz FSDDBEWENQXFKW-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccc3c(c2)CCO3)[C@@H](c2cccc(F)c2)C1 ZINC001459466502 1067331731 /nfs/dbraw/zinc/33/17/31/1067331731.db2.gz NUSUSYAATYUQTN-JOCHJYFZSA-N 0 0 454.542 4.514 20 0 JJADRN CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001459466617 1067331890 /nfs/dbraw/zinc/33/18/90/1067331890.db2.gz LGSQSLQRPCFHOZ-LADGPHEKSA-N 0 0 451.586 4.524 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC001546055347 1067331995 /nfs/dbraw/zinc/33/19/95/1067331995.db2.gz ZTCDYSYSHISDGS-WIOPSUGQSA-N 0 0 460.066 4.800 20 0 JJADRN CCCCOc1ccc(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1OCC ZINC001453837590 1067332045 /nfs/dbraw/zinc/33/20/45/1067332045.db2.gz ZFOLGXUGRAZGAA-UHFFFAOYSA-N 0 0 453.514 4.867 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC001546055346 1067332089 /nfs/dbraw/zinc/33/20/89/1067332089.db2.gz ZTCDYSYSHISDGS-RDGATRHJSA-N 0 0 460.066 4.800 20 0 JJADRN Cc1ccccc1CC1CN(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC001453865482 1067332643 /nfs/dbraw/zinc/33/26/43/1067332643.db2.gz TZLVCJSEZPOUCP-UHFFFAOYSA-N 0 0 455.624 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OC(C)(C)C)n2)[C@H](c2cccc(F)c2)C1 ZINC001459470286 1067332705 /nfs/dbraw/zinc/33/27/05/1067332705.db2.gz VJMVTTNLPSQLIE-FQEVSTJZSA-N 0 0 457.546 4.832 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)c4cccc(C)c4C(F)(F)F)CC3)n2)CCCC1 ZINC001453873310 1067333011 /nfs/dbraw/zinc/33/30/11/1067333011.db2.gz PPQSAAMSVRWHEI-UHFFFAOYSA-N 0 0 451.489 4.907 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001459469941 1067333207 /nfs/dbraw/zinc/33/32/07/1067333207.db2.gz OTCLRTPIVNRQBG-VWLOTQADSA-N 0 0 459.587 4.897 20 0 JJADRN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1ccccc1CSC1=NCCS1 ZINC001453877173 1067333542 /nfs/dbraw/zinc/33/35/42/1067333542.db2.gz YRQHLVZFRAXYSH-OAQYLSRUSA-N 0 0 456.633 4.648 20 0 JJADRN Cc1cc(C)c(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c(C)c1 ZINC001459471208 1067333666 /nfs/dbraw/zinc/33/36/66/1067333666.db2.gz ZLNGUHBPMSHEFK-JOCHJYFZSA-N 0 0 456.558 4.950 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCCc2c(C)cccc21 ZINC001459473082 1067334496 /nfs/dbraw/zinc/33/44/96/1067334496.db2.gz CREYNNNAFLSTNW-UHFFFAOYSA-N 0 0 459.546 4.656 20 0 JJADRN O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001459476713 1067334905 /nfs/dbraw/zinc/33/49/05/1067334905.db2.gz LLWTYLPXUFOJRN-NRFANRHFSA-N 0 0 452.352 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001453894833 1067334971 /nfs/dbraw/zinc/33/49/71/1067334971.db2.gz XIPXYBVVZNNUNF-XMSQKQJNSA-N 0 0 453.366 4.583 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)C[C@H](CC(F)(F)F)O1 ZINC001453904885 1067335011 /nfs/dbraw/zinc/33/50/11/1067335011.db2.gz SPIZVBHOWLVXSR-BDAKNGLRSA-N 0 0 455.321 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)c1ccc(F)cc1F ZINC001453915782 1067335273 /nfs/dbraw/zinc/33/52/73/1067335273.db2.gz RFWSSTYPLIOUPQ-MRXNPFEDSA-N 0 0 454.836 4.838 20 0 JJADRN CNC(=O)CC1(CNC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)CCCCC1 ZINC001453908594 1067335302 /nfs/dbraw/zinc/33/53/02/1067335302.db2.gz PDZBNCDXCLGKQV-UHFFFAOYSA-N 0 0 454.596 4.693 20 0 JJADRN CC(C)c1ncc2c(n1)CCN(C(=O)C(C)(C)[C@@H](O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001453920173 1067335388 /nfs/dbraw/zinc/33/53/88/1067335388.db2.gz NRNNAEMIYZVDSW-VWLOTQADSA-N 0 0 459.590 4.824 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459485526 1067336527 /nfs/dbraw/zinc/33/65/27/1067336527.db2.gz MDQUDNVLSLSNQD-QGZVFWFLSA-N 0 0 451.394 4.546 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC001459485435 1067336748 /nfs/dbraw/zinc/33/67/48/1067336748.db2.gz LZAOYWGYSLVHFE-ROUUACIJSA-N 0 0 456.537 4.667 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC001459489974 1067336892 /nfs/dbraw/zinc/33/68/92/1067336892.db2.gz HYXGYKAJBYYKQI-SFHVURJKSA-N 0 0 453.970 4.669 20 0 JJADRN CC1(C)CCc2c(OC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)cccc2O1 ZINC001459488584 1067336956 /nfs/dbraw/zinc/33/69/56/1067336956.db2.gz RUMUNKKBQPIBFW-UHFFFAOYSA-N 0 0 452.820 4.657 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Oc1cccc3c1CCC(C)(C)O3)C2=O ZINC001459490712 1067337413 /nfs/dbraw/zinc/33/74/13/1067337413.db2.gz VTRDWUXIZJGAOR-UHFFFAOYSA-N 0 0 456.583 4.613 20 0 JJADRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001459491614 1067337458 /nfs/dbraw/zinc/33/74/58/1067337458.db2.gz VRTGVYAMOOWAMV-AWEZNQCLSA-N 0 0 455.255 4.853 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001459490460 1067337722 /nfs/dbraw/zinc/33/77/22/1067337722.db2.gz ZOIPVLMGEUVNFN-QGZVFWFLSA-N 0 0 456.384 4.992 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC001459493301 1067337956 /nfs/dbraw/zinc/33/79/56/1067337956.db2.gz UYYJZWWKNTVKRX-XMMPIXPASA-N 0 0 452.501 4.660 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)Cc3ccc(S(=O)(=O)N(C)C)o3)cc2C)cc1 ZINC001459494742 1067338604 /nfs/dbraw/zinc/33/86/04/1067338604.db2.gz VZSCUBMKQSXJPH-UHFFFAOYSA-N 0 0 456.608 4.666 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)C1 ZINC001546109287 1067338967 /nfs/dbraw/zinc/33/89/67/1067338967.db2.gz YGRFFKNRQFJTTB-FQEVSTJZSA-N 0 0 463.667 4.572 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cc(-c2ccn(C)n2)on1 ZINC001459502775 1067339439 /nfs/dbraw/zinc/33/94/39/1067339439.db2.gz JQCJPUHPBJPGKP-UHFFFAOYSA-N 0 0 457.745 4.967 20 0 JJADRN CC(C)(C)CN1CCC[C@H](N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O ZINC001459504733 1067339789 /nfs/dbraw/zinc/33/97/89/1067339789.db2.gz UPTOARBDCSRKLD-VWLOTQADSA-N 0 0 453.602 4.564 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501137 1067339811 /nfs/dbraw/zinc/33/98/11/1067339811.db2.gz GUWOFVOBCNQMIH-INIZCTEOSA-N 0 0 450.489 4.994 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001459508786 1067341260 /nfs/dbraw/zinc/34/12/60/1067341260.db2.gz CSDNSTFCWMZRPL-HSZRJFAPSA-N 0 0 459.384 4.846 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1ccc(Cn2ccnn2)o1 ZINC001459515956 1067342685 /nfs/dbraw/zinc/34/26/85/1067342685.db2.gz CIBHFVBXVWBAKK-UHFFFAOYSA-N 0 0 457.259 4.866 20 0 JJADRN CC[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@@H](C)O1 ZINC001459521164 1067343362 /nfs/dbraw/zinc/34/33/62/1067343362.db2.gz YRPDAVMLMRGCHD-GCJKJVERSA-N 0 0 453.583 4.982 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521200 1067343448 /nfs/dbraw/zinc/34/34/48/1067343448.db2.gz OLAHEGOGQWYMSP-IRXDYDNUSA-N 0 0 450.576 4.823 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3cnn(Cc4ccc(OC)c(OC)c4)c3)c2)cn1 ZINC001459520699 1067343467 /nfs/dbraw/zinc/34/34/67/1067343467.db2.gz MGTCOEBKGWGSAU-UHFFFAOYSA-N 0 0 458.518 4.580 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521183 1067343589 /nfs/dbraw/zinc/34/35/89/1067343589.db2.gz OLAHEGOGQWYMSP-IAGOWNOFSA-N 0 0 450.576 4.823 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cc(-c4ccccc4Cl)on3)CC2)c(C)c1 ZINC001459520315 1067343616 /nfs/dbraw/zinc/34/36/16/1067343616.db2.gz RSMCOEYKHCHDJZ-LJQANCHMSA-N 0 0 453.970 4.724 20 0 JJADRN Cc1noc(C)c1CN(CC(=O)NCC1(c2ccccc2)CCCC1)Cc1c(C)noc1C ZINC001459522341 1067344208 /nfs/dbraw/zinc/34/42/08/1067344208.db2.gz KPMAQFJFYBINPY-UHFFFAOYSA-N 0 0 450.583 4.527 20 0 JJADRN CCc1ccc([C@H]2COCCN2CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC001459525833 1067344714 /nfs/dbraw/zinc/34/47/14/1067344714.db2.gz CRGHIMICXPXERT-MRXNPFEDSA-N 0 0 450.379 4.892 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCc1ccncc1OCC(F)(F)F ZINC001459527270 1067345173 /nfs/dbraw/zinc/34/51/73/1067345173.db2.gz IPZCBBVDDHZCCU-SJORKVTESA-N 0 0 459.509 4.503 20 0 JJADRN COc1ccc(CN(C(=O)c2nnn(-c3ccccc3Cl)c2C)[C@@H](C)C2CC2)c(OC)c1 ZINC001459529558 1067345443 /nfs/dbraw/zinc/34/54/43/1067345443.db2.gz LCVRHVICRYIFRN-HNNXBMFYSA-N 0 0 454.958 4.687 20 0 JJADRN COc1ccc(CN(C(=O)c2nnn(-c3ccccc3Cl)c2C)[C@H](C)C2CC2)c(OC)c1 ZINC001459529568 1067345571 /nfs/dbraw/zinc/34/55/71/1067345571.db2.gz LCVRHVICRYIFRN-OAHLLOKOSA-N 0 0 454.958 4.687 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccncc2OCC(F)(F)F)o1 ZINC001459529688 1067345814 /nfs/dbraw/zinc/34/58/14/1067345814.db2.gz LPHNOXVCVTUVHU-UHFFFAOYSA-N 0 0 456.424 4.707 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001459530284 1067346014 /nfs/dbraw/zinc/34/60/14/1067346014.db2.gz OCYYDNJYIMFLTN-VQIMIIECSA-N 0 0 456.970 4.537 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)c3ccncc23)c1 ZINC001459531432 1067346283 /nfs/dbraw/zinc/34/62/83/1067346283.db2.gz TZZNXJOKRSOKFJ-NRFANRHFSA-N 0 0 455.942 4.971 20 0 JJADRN O=C(Nc1cccc(Br)c1Cl)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459533511 1067346978 /nfs/dbraw/zinc/34/69/78/1067346978.db2.gz UXPFMPXHJNNBFX-NSHDSACASA-N 0 0 451.777 4.962 20 0 JJADRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459534264 1067347066 /nfs/dbraw/zinc/34/70/66/1067347066.db2.gz XHXZCEIMZORZLP-LJQANCHMSA-N 0 0 454.374 4.762 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459535696 1067347549 /nfs/dbraw/zinc/34/75/49/1067347549.db2.gz ZLBIZSCDMHZHJB-IBGZPJMESA-N 0 0 450.579 4.771 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCc2cccc(F)c2[C@H]1C ZINC001459546338 1067348416 /nfs/dbraw/zinc/34/84/16/1067348416.db2.gz VYOHUYOGFYGCNS-OAHLLOKOSA-N 0 0 455.555 4.787 20 0 JJADRN CC(C)[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC001459545648 1067348541 /nfs/dbraw/zinc/34/85/41/1067348541.db2.gz AVWBNWKHTKCRNB-HXUWFJFHSA-N 0 0 456.377 4.656 20 0 JJADRN COCCOc1ccc(CC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC001459552676 1067349279 /nfs/dbraw/zinc/34/92/79/1067349279.db2.gz AOBOCANHFKQZSK-UHFFFAOYSA-N 0 0 455.448 4.640 20 0 JJADRN O=C(Nc1ccc(OC(F)F)cc1F)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC001459552794 1067349322 /nfs/dbraw/zinc/34/93/22/1067349322.db2.gz FQQDLFYAELVEKK-PDGQHHTCSA-N 0 0 457.437 4.779 20 0 JJADRN COC(=O)c1cc(Br)c(CN2CCSC[C@H]2c2ccc(C)cc2)cc1OC ZINC001459552455 1067349420 /nfs/dbraw/zinc/34/94/20/1067349420.db2.gz DTZPGYMOJOOTOG-IBGZPJMESA-N 0 0 450.398 4.843 20 0 JJADRN CC1(C)C(=O)Nc2cc(C(=O)N3CCC(F)(c4ccccc4OC(F)(F)F)CC3)ccc21 ZINC001459556767 1067350148 /nfs/dbraw/zinc/35/01/48/1067350148.db2.gz QZJBYFRFJBBLJR-UHFFFAOYSA-N 0 0 450.432 4.916 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(F)cc1F ZINC001459555743 1067350194 /nfs/dbraw/zinc/35/01/94/1067350194.db2.gz KQOILDMHNHOWJR-SJLPKXTDSA-N 0 0 452.782 4.744 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001459555937 1067350342 /nfs/dbraw/zinc/35/03/42/1067350342.db2.gz NNOZMIXXTIPTHG-KRWDZBQOSA-N 0 0 458.868 4.880 20 0 JJADRN CCN(CC1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1)C(=O)OC(C)(C)C ZINC001459558499 1067351001 /nfs/dbraw/zinc/35/10/01/1067351001.db2.gz IUZPEGIKTQBAFX-UHFFFAOYSA-N 0 0 451.409 4.794 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1=O ZINC001459559161 1067351388 /nfs/dbraw/zinc/35/13/88/1067351388.db2.gz WUKLZZVDRCTINL-YJYMSZOUSA-N 0 0 458.839 4.569 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC001459561765 1067351668 /nfs/dbraw/zinc/35/16/68/1067351668.db2.gz XSUNEXODGCWLDK-UHFFFAOYSA-N 0 0 457.724 4.967 20 0 JJADRN CC(C)N1C(=O)CN(Cc2cc(Br)c(Cl)c(Br)c2)CC1(C)C ZINC001459562943 1067352474 /nfs/dbraw/zinc/35/24/74/1067352474.db2.gz XQQIXYSVBZOKJU-UHFFFAOYSA-N 0 0 452.618 4.696 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001459564773 1067352791 /nfs/dbraw/zinc/35/27/91/1067352791.db2.gz QOBNMRRYCPZERS-ROJDOSBLSA-N 0 0 455.274 4.756 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001459566102 1067353140 /nfs/dbraw/zinc/35/31/40/1067353140.db2.gz AOVBFSHSDQSLFX-QGZVFWFLSA-N 0 0 454.258 4.658 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)OCc3cc(Cl)ccc3OCC3CC3)CCC(=O)N2C)cc1 ZINC001459566219 1067353554 /nfs/dbraw/zinc/35/35/54/1067353554.db2.gz ASARVDKQIAXZKW-ZJSXRUAMSA-N 0 0 457.954 4.790 20 0 JJADRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc(Br)c1OC ZINC001459566705 1067353639 /nfs/dbraw/zinc/35/36/39/1067353639.db2.gz CKTKYVCGSRKZCM-DZGCQCFKSA-N 0 0 455.146 4.515 20 0 JJADRN CCN(c1ccc(C(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)cc1)C(C)C ZINC001459566666 1067353777 /nfs/dbraw/zinc/35/37/77/1067353777.db2.gz CDPHDERJGKDZFO-UHFFFAOYSA-N 0 0 456.388 4.537 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)nnn1-c1cccc(Cl)c1 ZINC001459572278 1067354923 /nfs/dbraw/zinc/35/49/23/1067354923.db2.gz TXRLXERLSAAQIJ-ZWKOTPCHSA-N 0 0 459.775 4.922 20 0 JJADRN Cc1ccc2c(CC(=O)N(C)Cc3cn(-c4cccc(Br)c4)nn3)coc2c1C ZINC001459573508 1067355226 /nfs/dbraw/zinc/35/52/26/1067355226.db2.gz WPWPSIMDCKPTTA-UHFFFAOYSA-N 0 0 453.340 4.594 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575246 1067355666 /nfs/dbraw/zinc/35/56/66/1067355666.db2.gz AIOJKDXKNIZWJG-HNNXBMFYSA-N 0 0 451.386 4.532 20 0 JJADRN CSc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC001459586577 1067357920 /nfs/dbraw/zinc/35/79/20/1067357920.db2.gz LVZAPYDBNNKJLY-HNNXBMFYSA-N 0 0 454.577 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001459589498 1067358614 /nfs/dbraw/zinc/35/86/14/1067358614.db2.gz ONVZAFYRBAJGCM-CQSZACIVSA-N 0 0 459.331 4.769 20 0 JJADRN CCCCn1c(CN2CCC[C@@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590342 1067358758 /nfs/dbraw/zinc/35/87/58/1067358758.db2.gz XEFGVTGWQRHYJD-AREMUKBSSA-N 0 0 451.615 4.549 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001459595117 1067359929 /nfs/dbraw/zinc/35/99/29/1067359929.db2.gz QKUFARRWMVFQMG-MRXNPFEDSA-N 0 0 453.539 4.971 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001459595110 1067359990 /nfs/dbraw/zinc/35/99/90/1067359990.db2.gz QKUFARRWMVFQMG-INIZCTEOSA-N 0 0 453.539 4.971 20 0 JJADRN Cn1c(=O)ccc2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc21 ZINC001459596679 1067360014 /nfs/dbraw/zinc/36/00/14/1067360014.db2.gz LQCYMFCNZUYLCT-JOCHJYFZSA-N 0 0 459.933 4.692 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC001459603456 1067360690 /nfs/dbraw/zinc/36/06/90/1067360690.db2.gz CVJZMBYIFAPELH-UXHICEINSA-N 0 0 452.624 4.902 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN2CCC[C@H]2c2ccccn2)c(Br)c1 ZINC001459609230 1067362216 /nfs/dbraw/zinc/36/22/16/1067362216.db2.gz LOOSMBMIRBAODB-INIZCTEOSA-N 0 0 453.178 4.691 20 0 JJADRN C[C@@H]1CCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459610899 1067363276 /nfs/dbraw/zinc/36/32/76/1067363276.db2.gz QJWDRLNISXJQLZ-ZBFHGGJFSA-N 0 0 458.584 4.782 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC001459612199 1067363757 /nfs/dbraw/zinc/36/37/57/1067363757.db2.gz CXIVBOYWHYLQOE-UHFFFAOYSA-N 0 0 451.264 4.590 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001459614342 1067364495 /nfs/dbraw/zinc/36/44/95/1067364495.db2.gz GOMZZIHSPPVPFF-XJKSGUPXSA-N 0 0 459.420 4.515 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCn2c(cc3c2cccc3Cl)C1)c1ccccc1 ZINC001459614628 1067364528 /nfs/dbraw/zinc/36/45/28/1067364528.db2.gz GLCPJZUBDGIKLQ-HXUWFJFHSA-N 0 0 453.970 4.945 20 0 JJADRN CCc1c(C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nnn1Cc1ccccc1 ZINC001459615393 1067364874 /nfs/dbraw/zinc/36/48/74/1067364874.db2.gz JHSNYBRCAYDEKH-KRWDZBQOSA-N 0 0 450.539 4.694 20 0 JJADRN COC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c2ccccc12 ZINC001459616178 1067365393 /nfs/dbraw/zinc/36/53/93/1067365393.db2.gz FAHXSFZZKCMWRD-LJQANCHMSA-N 0 0 459.315 4.693 20 0 JJADRN Cc1cc(C(=O)N(CCc2ccccn2)Cc2ccncc2)ccc1NC(=O)c1cccs1 ZINC001459619813 1067365888 /nfs/dbraw/zinc/36/58/88/1067365888.db2.gz YLDMYRBKGQLRFT-UHFFFAOYSA-N 0 0 456.571 4.984 20 0 JJADRN O=C([C@@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001459621918 1067366212 /nfs/dbraw/zinc/36/62/12/1067366212.db2.gz RAWWLWFZXTYUOG-MOPGFXCFSA-N 0 0 453.258 4.723 20 0 JJADRN CCOc1cc(CN(Cc2cc(F)ccc2F)C2CCCC2)nc2nc(C(F)(F)F)nn21 ZINC001459625377 1067367076 /nfs/dbraw/zinc/36/70/76/1067367076.db2.gz RSFQXRZNMHVYHZ-UHFFFAOYSA-N 0 0 455.431 4.765 20 0 JJADRN CCN(C[C@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631154 1067368715 /nfs/dbraw/zinc/36/87/15/1067368715.db2.gz KSFIVNGDKSIZQT-DLBZAZTESA-N 0 0 454.562 4.652 20 0 JJADRN CCN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633833 1067369308 /nfs/dbraw/zinc/36/93/08/1067369308.db2.gz COLICXKTTWTQLQ-LSYYVWMOSA-N 0 0 455.602 4.780 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001459637425 1067369627 /nfs/dbraw/zinc/36/96/27/1067369627.db2.gz LXHSLJZCKQPLJV-FJNPEDAXSA-N 0 0 455.723 4.619 20 0 JJADRN Cc1nc(NC(=O)c2cccn(Cc3ccccc3)c2=O)sc1Cc1ccc(F)cc1F ZINC001459636123 1067369726 /nfs/dbraw/zinc/36/97/26/1067369726.db2.gz FCHAELKSXXKTDW-UHFFFAOYSA-N 0 0 451.498 4.783 20 0 JJADRN Cc1nc(NC(=O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)sc1Cc1ccc(C)cc1 ZINC001459638582 1067369976 /nfs/dbraw/zinc/36/99/76/1067369976.db2.gz SLDCJVNWTBHCQW-OKXSDPAFSA-N 0 0 455.649 4.720 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001459638315 1067370010 /nfs/dbraw/zinc/37/00/10/1067370010.db2.gz QAACDJZOTABPJY-FQEVSTJZSA-N 0 0 457.546 4.787 20 0 JJADRN Cc1nc(NC(=O)C(=O)c2ccc(Br)s2)sc1Cc1ccc(F)cc1F ZINC001459638095 1067370121 /nfs/dbraw/zinc/37/01/21/1067370121.db2.gz OFVWADHSTRBNKU-UHFFFAOYSA-N 0 0 457.321 4.966 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)sc1Cc1ccc(F)cc1F ZINC001459638166 1067370132 /nfs/dbraw/zinc/37/01/32/1067370132.db2.gz PFVAGJDVVXFVRW-GOSISDBHSA-N 0 0 455.530 4.616 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)sc1Cc1ccc(F)cc1F ZINC001459638989 1067370225 /nfs/dbraw/zinc/37/02/25/1067370225.db2.gz QYOGKWNHPJHPGZ-KRWDZBQOSA-N 0 0 455.530 4.929 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001546110666 1067370268 /nfs/dbraw/zinc/37/02/68/1067370268.db2.gz IRNMELOWLXPTLE-QFIPXVFZSA-N 0 0 493.618 4.733 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)c1cccc(Br)c1 ZINC001459644083 1067370555 /nfs/dbraw/zinc/37/05/55/1067370555.db2.gz KSVYAMRGVSZLLY-UHFFFAOYSA-N 0 0 450.501 4.637 20 0 JJADRN C[C@@H](CC(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001459651142 1067372380 /nfs/dbraw/zinc/37/23/80/1067372380.db2.gz QLWYLLLHBTWZPW-AWEZNQCLSA-N 0 0 458.382 4.923 20 0 JJADRN Cc1ccc(F)c(NC(=O)c2cc(I)ccc2F)c1Br ZINC001459655803 1067372610 /nfs/dbraw/zinc/37/26/10/1067372610.db2.gz LWBQVVAELKISGK-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656343 1067373011 /nfs/dbraw/zinc/37/30/11/1067373011.db2.gz QKJIBHLQVCZWLR-KRWDZBQOSA-N 0 0 454.368 4.746 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1)c1ccccc1 ZINC001459656346 1067373040 /nfs/dbraw/zinc/37/30/40/1067373040.db2.gz QKJIBHLQVCZWLR-QGZVFWFLSA-N 0 0 454.368 4.746 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662277 1067374858 /nfs/dbraw/zinc/37/48/58/1067374858.db2.gz DLKNKQGAPOGGOO-OAHLLOKOSA-N 0 0 450.301 4.579 20 0 JJADRN COc1cc(OC)c(NC(=O)CN(CCc2ccccn2)Cc2ccc(F)cc2)cc1Cl ZINC001459662524 1067375052 /nfs/dbraw/zinc/37/50/52/1067375052.db2.gz KOVLKJFMOQCKJF-UHFFFAOYSA-N 0 0 457.933 4.575 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2CCCCn2cc(Br)cn2)C1 ZINC001546110941 1067376842 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ZINC001459689837 1067384655 /nfs/dbraw/zinc/38/46/55/1067384655.db2.gz MELJDYMCYZFUPJ-GOSISDBHSA-N 0 0 450.757 4.831 20 0 JJADRN CCO[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccccc1 ZINC001459698087 1067387339 /nfs/dbraw/zinc/38/73/39/1067387339.db2.gz BCIVISJTKRHUMT-SMIHKQSGSA-N 0 0 452.595 4.606 20 0 JJADRN Cc1[nH]c2ccccc2c1C1=CCN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC001459699735 1067387620 /nfs/dbraw/zinc/38/76/20/1067387620.db2.gz HWIVQGKUELQECX-UHFFFAOYSA-N 0 0 451.571 4.908 20 0 JJADRN COc1ccccc1CN(CC(=O)Nc1ccc(Cl)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001459699912 1067387654 /nfs/dbraw/zinc/38/76/54/1067387654.db2.gz UMEUIRFJVFUEJT-UHFFFAOYSA-N 0 0 454.889 4.715 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC001459699953 1067387680 /nfs/dbraw/zinc/38/76/80/1067387680.db2.gz JJJGRDBJAXXNGT-GJZGRUSLSA-N 0 0 457.368 4.824 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)C2)cc1 ZINC001459700625 1067388018 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BJVHNDBEFGPQPL-GOEBONIOSA-N 0 0 458.921 4.744 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC001459713925 1067392664 /nfs/dbraw/zinc/39/26/64/1067392664.db2.gz BDYYUIHBSMYOQS-UHFFFAOYSA-N 0 0 454.373 4.830 20 0 JJADRN C[C@H](c1c(F)cccc1F)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001459715025 1067393178 /nfs/dbraw/zinc/39/31/78/1067393178.db2.gz FNIBBKFWRPIFRQ-CQSZACIVSA-N 0 0 452.427 4.912 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(Br)cc1C ZINC001459715046 1067393245 /nfs/dbraw/zinc/39/32/45/1067393245.db2.gz ZXRUGTCNBQQYEF-AWEZNQCLSA-N 0 0 451.361 4.570 20 0 JJADRN CCc1cc(C)cc(CC)c1NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001459715210 1067393266 /nfs/dbraw/zinc/39/32/66/1067393266.db2.gz UIFMVTNLXRTBTN-UHFFFAOYSA-N 0 0 455.603 4.844 20 0 JJADRN O=C(OCc1cccc(C(F)F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001459715595 1067393824 /nfs/dbraw/zinc/39/38/24/1067393824.db2.gz LEAKSNMEHWGAIH-UHFFFAOYSA-N 0 0 459.514 4.922 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716595 1067394225 /nfs/dbraw/zinc/39/42/25/1067394225.db2.gz CSUXSIVFPWTHLU-QFBILLFUSA-N 0 0 459.612 4.722 20 0 JJADRN Cc1cc(C)cc(OCc2noc(CN[C@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)n2)c1 ZINC001459716738 1067394411 /nfs/dbraw/zinc/39/44/11/1067394411.db2.gz GWWYKVJKYGJXFD-DFBJGRDBSA-N 0 0 458.603 4.829 20 0 JJADRN COc1ccc([C@H](CNC(=O)CN(C)[C@@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718417 1067394883 /nfs/dbraw/zinc/39/48/83/1067394883.db2.gz KJTUVVZXMGSCJW-DFBJGRDBSA-N 0 0 457.574 4.823 20 0 JJADRN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(-c3ccccc3)ccc2Cl)C1=O ZINC001459722568 1067396086 /nfs/dbraw/zinc/39/60/86/1067396086.db2.gz KVIRQLXXKNDWEU-XMMPIXPASA-N 0 0 451.885 4.552 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC001459727130 1067397023 /nfs/dbraw/zinc/39/70/23/1067397023.db2.gz OULXIJMHYUPTJK-DLBZAZTESA-N 0 0 451.348 4.642 20 0 JJADRN CC(C)(C(=O)NCc1ncnn1-c1ccccc1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001459728661 1067397772 /nfs/dbraw/zinc/39/77/72/1067397772.db2.gz ZOZURLUECFFTQH-UHFFFAOYSA-N 0 0 455.946 4.777 20 0 JJADRN COc1ccc(CCCC(=O)N[C@@H](C)CCc2ccc(I)cc2)cc1 ZINC001459727944 1067397808 /nfs/dbraw/zinc/39/78/08/1067397808.db2.gz TVQZTUYZMGXIET-INIZCTEOSA-N 0 0 451.348 4.760 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2cccc(Cl)c2O1 ZINC001459729272 1067398118 /nfs/dbraw/zinc/39/81/18/1067398118.db2.gz QLBPOXXDQPJZKZ-NSHDSACASA-N 0 0 452.761 4.837 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2cccc(Cl)c2O1 ZINC001459729270 1067398129 /nfs/dbraw/zinc/39/81/29/1067398129.db2.gz QLBPOXXDQPJZKZ-LLVKDONJSA-N 0 0 452.761 4.837 20 0 JJADRN O=C(NCC1(C(=O)NCCc2ccccc2Br)CCCC1)OCc1ccccc1 ZINC001459731777 1067398650 /nfs/dbraw/zinc/39/86/50/1067398650.db2.gz LDLMIUQULSYEDO-UHFFFAOYSA-N 0 0 459.384 4.595 20 0 JJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCC[C@H]1c1cccn1C ZINC001459731730 1067398756 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451.748 4.634 20 0 JJADRN C[C@]1(NC(=O)c2cc3ccccc3cc2OC(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739905 1067400824 /nfs/dbraw/zinc/40/08/24/1067400824.db2.gz YOXPVXFWVPEYOR-VWLOTQADSA-N 0 0 454.473 4.972 20 0 JJADRN COC(=O)c1cc(F)cc(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c1F ZINC001459743157 1067402464 /nfs/dbraw/zinc/40/24/64/1067402464.db2.gz BHMVFXCRVDZBAK-UHFFFAOYSA-N 0 0 452.339 4.556 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)nc1 ZINC001459744568 1067403367 /nfs/dbraw/zinc/40/33/67/1067403367.db2.gz DTCFORRHVCZBCK-UHFFFAOYSA-N 0 0 456.376 4.620 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)o1 ZINC001459749094 1067405382 /nfs/dbraw/zinc/40/53/82/1067405382.db2.gz SFUHGCYGBBHMHG-UHFFFAOYSA-N 0 0 452.555 4.635 20 0 JJADRN CN1C(=O)COc2cc(NC(=O)c3ccc(Oc4cccc(Br)c4)cc3)ccc21 ZINC001459750801 1067405938 /nfs/dbraw/zinc/40/59/38/1067405938.db2.gz CDESGZRZXYCSGD-UHFFFAOYSA-N 0 0 453.292 4.849 20 0 JJADRN COc1ccc(C(=O)Nc2ccnn2-c2ccc(Br)cn2)c(OC2CCCC2)c1 ZINC001459750100 1067405952 /nfs/dbraw/zinc/40/59/52/1067405952.db2.gz XTKOSCOGMSWYOY-UHFFFAOYSA-N 0 0 457.328 4.612 20 0 JJADRN C[C@@H](c1noc(-c2ccccc2)n1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459751568 1067406261 /nfs/dbraw/zinc/40/62/61/1067406261.db2.gz DLLRGBJPAYHQAM-HNNXBMFYSA-N 0 0 455.356 4.911 20 0 JJADRN COc1ccc([C@@H](NCC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1Br ZINC001459755192 1067408538 /nfs/dbraw/zinc/40/85/38/1067408538.db2.gz SSAZWZRLHNOYDZ-DEOSSOPVSA-N 0 0 453.380 4.795 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1)c1ccccc1 ZINC001459755577 1067408558 /nfs/dbraw/zinc/40/85/58/1067408558.db2.gz AFZHESYMIZRMGH-RUZDIDTESA-N 0 0 456.542 4.701 20 0 JJADRN CCC(CC)NC(=O)[C@@H]1CN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccccc2O1 ZINC001459756201 1067408832 /nfs/dbraw/zinc/40/88/32/1067408832.db2.gz RVNNCSBPHPQCOG-CVDCTZTESA-N 0 0 459.631 4.596 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)OCc1ccn(-c2ccc(F)cc2F)n1 ZINC001459758385 1067410346 /nfs/dbraw/zinc/41/03/46/1067410346.db2.gz PFEMOEYYFSZIDN-LLVKDONJSA-N 0 0 455.230 4.563 20 0 JJADRN CCc1c(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cnn1-c1cccc(C)c1 ZINC001459760201 1067411380 /nfs/dbraw/zinc/41/13/80/1067411380.db2.gz KYYMHMVPOHVTHT-KRWDZBQOSA-N 0 0 453.340 4.570 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)cc1 ZINC001459760467 1067411922 /nfs/dbraw/zinc/41/19/22/1067411922.db2.gz VNGDIDPPMUHWLC-UHFFFAOYSA-N 0 0 453.347 4.680 20 0 JJADRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc(C)c(Br)c(Cl)c2)sc1C ZINC001459766120 1067412796 /nfs/dbraw/zinc/41/27/96/1067412796.db2.gz PYJFPRNFZFZVOM-ZDUSSCGKSA-N 0 0 457.777 4.940 20 0 JJADRN C[C@H](C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001459763587 1067412955 /nfs/dbraw/zinc/41/29/55/1067412955.db2.gz IQDVZZZTHVDKFU-GFCCVEGCSA-N 0 0 456.285 4.804 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1cc(F)c(Cl)cc1F ZINC001459763426 1067412978 /nfs/dbraw/zinc/41/29/78/1067412978.db2.gz NEZIJCXDAQBBSF-AQDCRGGLSA-N 0 0 453.316 4.982 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC001459765512 1067413357 /nfs/dbraw/zinc/41/33/57/1067413357.db2.gz OPYXSCVEADXYSV-CYBMUJFWSA-N 0 0 456.543 4.783 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC001459765122 1067413494 /nfs/dbraw/zinc/41/34/94/1067413494.db2.gz UFLKOXWSPURPOI-HUUCEWRRSA-N 0 0 450.913 4.717 20 0 JJADRN CCCc1c(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)nnn1-c1cccc(C(C)C)c1 ZINC001459765718 1067413519 /nfs/dbraw/zinc/41/35/19/1067413519.db2.gz QYFWQGXGHXZZEM-GOSISDBHSA-N 0 0 457.619 4.719 20 0 JJADRN CC(=O)N(c1nc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)cs1)c1ccc(C)cc1 ZINC001459766684 1067414001 /nfs/dbraw/zinc/41/40/01/1067414001.db2.gz KUABKQNALYUUMD-LEWJYISDSA-N 0 0 457.621 4.522 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC001459768007 1067414365 /nfs/dbraw/zinc/41/43/65/1067414365.db2.gz HBMLUKIEIRFTTO-GAJHUEQPSA-N 0 0 456.587 4.703 20 0 JJADRN CN(CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001459769963 1067415030 /nfs/dbraw/zinc/41/50/30/1067415030.db2.gz PXLHIHMBSUIQDA-QHCPKHFHSA-N 0 0 451.954 4.759 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC001459768014 1067415059 /nfs/dbraw/zinc/41/50/59/1067415059.db2.gz HBMLUKIEIRFTTO-UZUQRXQVSA-N 0 0 456.587 4.703 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)Cc2cc(Cl)ccc2I)n1 ZINC001459768684 1067415093 /nfs/dbraw/zinc/41/50/93/1067415093.db2.gz JOKXLOHYVVCQTR-SNVBAGLBSA-N 0 0 451.761 4.774 20 0 JJADRN COCCOCCN(Cc1ccccc1)Cc1ccc(I)cc1Cl ZINC001459771969 1067415636 /nfs/dbraw/zinc/41/56/36/1067415636.db2.gz OFBDVCLACCOVRW-UHFFFAOYSA-N 0 0 459.755 4.610 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774681 1067416746 /nfs/dbraw/zinc/41/67/46/1067416746.db2.gz JUKLTIHLQXEFRB-KGLIPLIRSA-N 0 0 452.311 4.685 20 0 JJADRN Cc1cccc(OCCCNC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)c1C ZINC001459781247 1067418240 /nfs/dbraw/zinc/41/82/40/1067418240.db2.gz MRYSMIQEYUXJIJ-UHFFFAOYSA-N 0 0 456.583 4.748 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC001459780369 1067418259 /nfs/dbraw/zinc/41/82/59/1067418259.db2.gz VQSDLIHFXSYJOS-UHFFFAOYSA-N 0 0 452.301 4.716 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC(CC)(CO)CC1 ZINC001459780268 1067418307 /nfs/dbraw/zinc/41/83/07/1067418307.db2.gz XOKRSSXADCIZHG-UHFFFAOYSA-N 0 0 458.624 4.632 20 0 JJADRN CCc1c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cnn1-c1ccc(Cl)cc1 ZINC001459782624 1067419561 /nfs/dbraw/zinc/41/95/61/1067419561.db2.gz HMPFOMUCVPKOQS-UHFFFAOYSA-N 0 0 455.927 4.571 20 0 JJADRN Cc1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)cnc1F ZINC001459782322 1067419604 /nfs/dbraw/zinc/41/96/04/1067419604.db2.gz FJDGFVWMDAOVBA-SFHVURJKSA-N 0 0 453.377 4.708 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC001459783025 1067419889 /nfs/dbraw/zinc/41/98/89/1067419889.db2.gz VOVXYEHLCUTENS-ZUZCIYMTSA-N 0 0 457.187 4.942 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC001459783024 1067419898 /nfs/dbraw/zinc/41/98/98/1067419898.db2.gz VOVXYEHLCUTENS-MEBBXXQBSA-N 0 0 457.187 4.942 20 0 JJADRN CCc1c(NC(=O)c2ccn(-c3ccc(OC)cc3)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001459783287 1067419947 /nfs/dbraw/zinc/41/99/47/1067419947.db2.gz PERSWWJDLGYWOA-UHFFFAOYSA-N 0 0 455.440 4.900 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC001459783020 1067419960 /nfs/dbraw/zinc/41/99/60/1067419960.db2.gz VOVXYEHLCUTENS-BMIGLBTASA-N 0 0 457.187 4.942 20 0 JJADRN O=C(c1cnc(C2CC2)o1)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001459784672 1067420983 /nfs/dbraw/zinc/42/09/83/1067420983.db2.gz VOBUNAZFLKNPRR-QGZVFWFLSA-N 0 0 451.386 4.731 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC001459786416 1067422025 /nfs/dbraw/zinc/42/20/25/1067422025.db2.gz SWGLAWZJWFDSFY-DEOSSOPVSA-N 0 0 455.562 4.676 20 0 JJADRN CCCN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c2cc(F)ccc21 ZINC001459789806 1067423451 /nfs/dbraw/zinc/42/34/51/1067423451.db2.gz SZQDGKYYTFRPTJ-QFIPXVFZSA-N 0 0 457.546 4.663 20 0 JJADRN CCCN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c2cc(F)ccc21 ZINC001459789803 1067423484 /nfs/dbraw/zinc/42/34/84/1067423484.db2.gz SZQDGKYYTFRPTJ-JOCHJYFZSA-N 0 0 457.546 4.663 20 0 JJADRN O=C(CN(Cc1cccs1)c1ccc(F)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001459790535 1067423906 /nfs/dbraw/zinc/42/39/06/1067423906.db2.gz FTDKZUPEAJYLTH-UHFFFAOYSA-N 0 0 457.615 4.581 20 0 JJADRN COC(=O)c1ccc(CC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cc1 ZINC001459792012 1067424799 /nfs/dbraw/zinc/42/47/99/1067424799.db2.gz SYSVSDVYNNAHDV-UHFFFAOYSA-N 0 0 450.560 4.554 20 0 JJADRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1oc(C2CC2)nc1C(F)F ZINC001459792169 1067424912 /nfs/dbraw/zinc/42/49/12/1067424912.db2.gz LKDXFTYJKMITEJ-UHFFFAOYSA-N 0 0 454.271 4.740 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC)NC(C)=O ZINC001459792560 1067425588 /nfs/dbraw/zinc/42/55/88/1067425588.db2.gz XBKPIECJKJJWNR-FQEVSTJZSA-N 0 0 454.958 4.693 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](c3ccc(C)cc3)c3ccccn3)cc2)c1C ZINC001459792490 1067425641 /nfs/dbraw/zinc/42/56/41/1067425641.db2.gz WOHRZKJLLIVOMB-VWLOTQADSA-N 0 0 454.530 4.580 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001459794488 1067426709 /nfs/dbraw/zinc/42/67/09/1067426709.db2.gz BKAZIGUPETUBSS-HXUWFJFHSA-N 0 0 450.391 4.635 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Cl)c(I)c1 ZINC001459794899 1067426751 /nfs/dbraw/zinc/42/67/51/1067426751.db2.gz PHMLGXPPSBEOIP-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459794760 1067426995 /nfs/dbraw/zinc/42/69/95/1067426995.db2.gz CPFLPNSCYHLFOO-SFHVURJKSA-N 0 0 457.290 4.504 20 0 JJADRN CCC1(CC)CN(Cc2ccc(S(=O)(=O)N(C)C)s2)c2ccc(Br)cc21 ZINC001459795821 1067427590 /nfs/dbraw/zinc/42/75/90/1067427590.db2.gz HGQKIHZGKCORPK-UHFFFAOYSA-N 0 0 457.459 4.839 20 0 JJADRN O=C(Cc1cnn2ccccc12)OCc1cc(Br)c(Cl)c(Br)c1 ZINC001459795367 1067427671 /nfs/dbraw/zinc/42/76/71/1067427671.db2.gz SVCKLOLHQMEYJW-UHFFFAOYSA-N 0 0 458.537 4.799 20 0 JJADRN C[C@H](c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001459798245 1067428270 /nfs/dbraw/zinc/42/82/70/1067428270.db2.gz SIOISMWNGSSDPM-GFCCVEGCSA-N 0 0 451.778 4.853 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798028 1067428282 /nfs/dbraw/zinc/42/82/82/1067428282.db2.gz RWHOGYUKCUOBAZ-MOPGFXCFSA-N 0 0 459.556 4.972 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798031 1067428293 /nfs/dbraw/zinc/42/82/93/1067428293.db2.gz RWHOGYUKCUOBAZ-RTBURBONSA-N 0 0 459.556 4.972 20 0 JJADRN O=C(CN1CCN(Cc2ccc(Cl)c(Br)c2)CC1)Nc1ccccc1Cl ZINC001459799620 1067429283 /nfs/dbraw/zinc/42/92/83/1067429283.db2.gz VHKAUTFDMMDDSU-UHFFFAOYSA-N 0 0 457.199 4.512 20 0 JJADRN CCOC(=O)CN(CCC(=O)Nc1cccc(F)c1)[C@H](C)c1cccc(Br)c1 ZINC001459800799 1067429712 /nfs/dbraw/zinc/42/97/12/1067429712.db2.gz DLCGNZRKDDSDFG-OAHLLOKOSA-N 0 0 451.336 4.543 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)/C=C\c3cccc(OC4CCCC4)c3)c2)n1 ZINC001459802687 1067430237 /nfs/dbraw/zinc/43/02/37/1067430237.db2.gz SVMHJGIZKZBPAX-YPKPFQOOSA-N 0 0 459.546 4.700 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)CC2=O)ccc1Br ZINC001459805440 1067431224 /nfs/dbraw/zinc/43/12/24/1067431224.db2.gz OLEZRCXCQHPWCQ-YQVWRLOYSA-N 0 0 459.359 4.702 20 0 JJADRN CCOC(=O)CN(Cc1cc(C(=O)OC)ccc1F)[C@@H](C)c1cccc(Br)c1 ZINC001459807260 1067431627 /nfs/dbraw/zinc/43/16/27/1067431627.db2.gz WYMGWQFRLAPTSJ-AWEZNQCLSA-N 0 0 452.320 4.501 20 0 JJADRN COc1ccc([C@H](NCCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C(F)(F)F)cc1 ZINC001459807364 1067432271 /nfs/dbraw/zinc/43/22/71/1067432271.db2.gz HXBNBIKSDCFYPB-BLVKFPJESA-N 0 0 450.530 4.843 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC001459810526 1067432760 /nfs/dbraw/zinc/43/27/60/1067432760.db2.gz QPEMVUGPFIMOCC-OLZOCXBDSA-N 0 0 452.780 4.874 20 0 JJADRN COC(=O)c1coc([C@H](C)OC(=O)CCCCc2ccc(I)cc2)c1 ZINC001459812742 1067434393 /nfs/dbraw/zinc/43/43/93/1067434393.db2.gz QQYBHXZARSATJE-ZDUSSCGKSA-N 0 0 456.276 4.688 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001459812679 1067434433 /nfs/dbraw/zinc/43/44/33/1067434433.db2.gz RWLYORYJKUUECT-HXUWFJFHSA-N 0 0 455.396 4.745 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1ncccc1OCC(F)(F)F ZINC001459812749 1067434451 /nfs/dbraw/zinc/43/44/51/1067434451.db2.gz QUFQVKFGKXPFRX-UHFFFAOYSA-N 0 0 459.247 4.556 20 0 JJADRN CC1(C)CC(=O)c2cc(OC(=O)c3cnn(Cc4ccccc4)c3Br)ccc2O1 ZINC001459814648 1067435352 /nfs/dbraw/zinc/43/53/52/1067435352.db2.gz NXMDXDVHPWRZCI-UHFFFAOYSA-N 0 0 455.308 4.657 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(C)nn(C)c2C)C1 ZINC001546112058 1067436044 /nfs/dbraw/zinc/43/60/44/1067436044.db2.gz BEFHAXWUDVWQMS-UHFFFAOYSA-N 0 0 450.631 4.889 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C)C(=O)NCc1ccccc1F ZINC001459817423 1067436443 /nfs/dbraw/zinc/43/64/43/1067436443.db2.gz CSMQMUWNBXRBHM-DYESRHJHSA-N 0 0 451.508 4.840 20 0 JJADRN COc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(Br)c1 ZINC001459818159 1067437038 /nfs/dbraw/zinc/43/70/38/1067437038.db2.gz IJUFCIPEXANYQM-XCLFUZPHSA-N 0 0 453.327 4.578 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1c(F)cc(F)c(F)c1F ZINC001459819217 1067437682 /nfs/dbraw/zinc/43/76/82/1067437682.db2.gz DCVTUPWYQMYFIH-UHFFFAOYSA-N 0 0 459.262 4.988 20 0 JJADRN O=S(=O)(NC1CCCC1)[C@H]1CCCN([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819570 1067437735 /nfs/dbraw/zinc/43/77/35/1067437735.db2.gz OBTRZXMOINBCIW-GOTSBHOMSA-N 0 0 451.007 4.895 20 0 JJADRN Cc1ccc(Br)nc1C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 ZINC001459821932 1067439242 /nfs/dbraw/zinc/43/92/42/1067439242.db2.gz CHIPQNKRMKEAGV-UHFFFAOYSA-N 0 0 453.178 4.790 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1(C)C ZINC001459823085 1067439659 /nfs/dbraw/zinc/43/96/59/1067439659.db2.gz UJLVOSROISRMTG-INIZCTEOSA-N 0 0 456.384 4.602 20 0 JJADRN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1cc(Cl)ccc1OC(F)F ZINC001459824377 1067440742 /nfs/dbraw/zinc/44/07/42/1067440742.db2.gz KHWJELLZLDTMQY-VXJOIVPMSA-N 0 0 451.670 4.720 20 0 JJADRN C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825956 1067440792 /nfs/dbraw/zinc/44/07/92/1067440792.db2.gz VWFPVIFUVFJDJH-QKMWGZLOSA-N 0 0 452.473 4.935 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC001459826539 1067441203 /nfs/dbraw/zinc/44/12/03/1067441203.db2.gz OQOLGMAEXWFCEX-YADHBBJMSA-N 0 0 455.601 4.541 20 0 JJADRN O=C(COc1ccccc1Br)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459827044 1067441229 /nfs/dbraw/zinc/44/12/29/1067441229.db2.gz DIXRLILJKZCBNN-AWEZNQCLSA-N 0 0 458.183 4.920 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001459829448 1067442566 /nfs/dbraw/zinc/44/25/66/1067442566.db2.gz NJBYARISIXRJKP-GTTSAUCSSA-N 0 0 453.404 4.957 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc(C)cc(C)c2)c1 ZINC001459829500 1067443341 /nfs/dbraw/zinc/44/33/41/1067443341.db2.gz NYBOARNUXSPKGT-UHFFFAOYSA-N 0 0 453.560 4.742 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2Br)CCC3)n(C)n1 ZINC001459829461 1067443354 /nfs/dbraw/zinc/44/33/54/1067443354.db2.gz NSFPHFQGZFJXJO-UHFFFAOYSA-N 0 0 458.381 4.833 20 0 JJADRN O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)c1ncccc1Br ZINC001459830508 1067443585 /nfs/dbraw/zinc/44/35/85/1067443585.db2.gz BMJRGQGZUHPAPB-LLVKDONJSA-N 0 0 452.082 4.883 20 0 JJADRN O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459832880 1067444832 /nfs/dbraw/zinc/44/48/32/1067444832.db2.gz NNSYJUBQMARDFK-CQSZACIVSA-N 0 0 457.239 4.847 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)Cc2cc(Br)ccc2Cl)n1 ZINC001459834529 1067445457 /nfs/dbraw/zinc/44/54/57/1067445457.db2.gz IEDASZKFTCSXRN-OAHLLOKOSA-N 0 0 457.777 4.642 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)CSc2ccccc2Br)n1 ZINC001459835508 1067445810 /nfs/dbraw/zinc/44/58/10/1067445810.db2.gz NOAUCRZOHULQBK-CQSZACIVSA-N 0 0 455.399 4.538 20 0 JJADRN C/C(=C/c1cccnc1)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001459836059 1067446451 /nfs/dbraw/zinc/44/64/51/1067446451.db2.gz ZXYJBYXTVUYQKE-SQFISAMPSA-N 0 0 453.340 4.704 20 0 JJADRN CC[C@]1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)CCOC1 ZINC001459838255 1067447492 /nfs/dbraw/zinc/44/74/92/1067447492.db2.gz AIJFNXSXHBTBLH-FQEVSTJZSA-N 0 0 457.427 4.685 20 0 JJADRN Cc1cc(C)cc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c1 ZINC001459840121 1067448100 /nfs/dbraw/zinc/44/81/00/1067448100.db2.gz HCLWXHVACZMKCH-HXUWFJFHSA-N 0 0 457.412 4.885 20 0 JJADRN CCn1c(CNC(=O)c2cnc(Cc3ccccc3)s2)nc2cc(Br)ccc21 ZINC001459841999 1067449102 /nfs/dbraw/zinc/44/91/02/1067449102.db2.gz QLCDIXYPYHBTDQ-UHFFFAOYSA-N 0 0 455.381 4.796 20 0 JJADRN CCn1c(CNC(=O)c2csc(-c3ccc(C)n3C)n2)nc2cc(Br)ccc21 ZINC001459843492 1067450159 /nfs/dbraw/zinc/45/01/59/1067450159.db2.gz ZMAZIKRFQVXNMG-UHFFFAOYSA-N 0 0 458.385 4.519 20 0 JJADRN Cc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC001459842814 1067450171 /nfs/dbraw/zinc/45/01/71/1067450171.db2.gz VKDQTZWRBOATQQ-SFHVURJKSA-N 0 0 453.550 4.609 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)CC(=O)OC ZINC001459844507 1067451119 /nfs/dbraw/zinc/45/11/19/1067451119.db2.gz UKZDXEOTDAXLFW-QFIPXVFZSA-N 0 0 451.592 4.992 20 0 JJADRN Cc1ccc(-c2ccc(C)c(NC(=O)Cn3cnc4ccc(Br)cc4c3=O)c2)o1 ZINC001459850137 1067454996 /nfs/dbraw/zinc/45/49/96/1067454996.db2.gz VFKJFMYIOSBOKT-UHFFFAOYSA-N 0 0 452.308 4.675 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001459849818 1067455062 /nfs/dbraw/zinc/45/50/62/1067455062.db2.gz LDNLKWWBJIIKML-FQEVSTJZSA-N 0 0 451.430 4.930 20 0 JJADRN Cc1ccc(-c2ccc(C)c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)o1 ZINC001459850297 1067455663 /nfs/dbraw/zinc/45/56/63/1067455663.db2.gz YCORKKOGUYUZGL-UHFFFAOYSA-N 0 0 452.576 4.919 20 0 JJADRN O[C@H](CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851035 1067456150 /nfs/dbraw/zinc/45/61/50/1067456150.db2.gz GFBJYITZJDCSGL-QFBILLFUSA-N 0 0 451.384 4.667 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccc(OC)cc32)c1Br ZINC001459852849 1067457223 /nfs/dbraw/zinc/45/72/23/1067457223.db2.gz RRBDFNTUTWBJTB-UHFFFAOYSA-N 0 0 455.308 4.922 20 0 JJADRN COC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccc(Br)cc2)c1Br ZINC001459853400 1067457832 /nfs/dbraw/zinc/45/78/32/1067457832.db2.gz VMQFBFAACLHYDO-LLVKDONJSA-N 0 0 455.146 4.816 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccc2ccccc2c1 ZINC001459853724 1067458238 /nfs/dbraw/zinc/45/82/38/1067458238.db2.gz WOSMIHWCPDADRN-DEOSSOPVSA-N 0 0 451.611 4.929 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)n2)c1 ZINC001459855101 1067458713 /nfs/dbraw/zinc/45/87/13/1067458713.db2.gz IPPZMFXGMHVDHL-UHFFFAOYSA-N 0 0 457.574 4.957 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001459855766 1067459272 /nfs/dbraw/zinc/45/92/72/1067459272.db2.gz DZIBFLNNFUFSOI-AWEZNQCLSA-N 0 0 450.438 4.658 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001459855976 1067459313 /nfs/dbraw/zinc/45/93/13/1067459313.db2.gz KAEDVECODUIQKX-PCCBWWKXSA-N 0 0 456.533 4.983 20 0 JJADRN C[S@](=O)C[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855799 1067459317 /nfs/dbraw/zinc/45/93/17/1067459317.db2.gz ZPRGAQBSJRVAOX-SRGMZFCMSA-N 0 0 454.206 4.948 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001459858505 1067460346 /nfs/dbraw/zinc/46/03/46/1067460346.db2.gz XVSIJLAAGWEGOI-KZNAEPCWSA-N 0 0 457.983 4.768 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)o1 ZINC001459861402 1067461391 /nfs/dbraw/zinc/46/13/91/1067461391.db2.gz RTRVMWLFTOJUPX-IAGOWNOFSA-N 0 0 452.555 4.728 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2cnn(C)c2Br)C(F)(F)F)ccc1Br ZINC001459861800 1067461963 /nfs/dbraw/zinc/46/19/63/1067461963.db2.gz DJXDLYRJYJUEGL-LLVKDONJSA-N 0 0 456.056 4.714 20 0 JJADRN Cc1ccc([C@H](CN2CCOCC2)NCc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001459861748 1067461976 /nfs/dbraw/zinc/46/19/76/1067461976.db2.gz JUORLYSDJJYCRA-QHCPKHFHSA-N 0 0 458.027 4.847 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OC)CCCCC2)C1 ZINC001546112340 1067461990 /nfs/dbraw/zinc/46/19/90/1067461990.db2.gz NRGMMONQSNFBSF-UHFFFAOYSA-N 0 0 459.660 4.635 20 0 JJADRN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2ccn(CCc3ccccc3)n2)CC1 ZINC001459864563 1067462973 /nfs/dbraw/zinc/46/29/73/1067462973.db2.gz HOTUVPNOYBAOEA-UHFFFAOYSA-N 0 0 459.512 4.594 20 0 JJADRN COc1ccc(NC(=O)c2scc(C)c2Br)c(I)c1 ZINC001459865392 1067463613 /nfs/dbraw/zinc/46/36/13/1067463613.db2.gz FGAUPRDMGSHDDZ-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2cc(F)c(F)c(F)c2)sc2c1CCCC2 ZINC001459865964 1067463644 /nfs/dbraw/zinc/46/36/44/1067463644.db2.gz WOAAMFDXFXKBTO-LBPRGKRZSA-N 0 0 454.514 4.680 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001459867404 1067464595 /nfs/dbraw/zinc/46/45/95/1067464595.db2.gz DDLJVGKUXMWVGH-ICDZXHCJSA-N 0 0 450.579 4.886 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001459868663 1067465803 /nfs/dbraw/zinc/46/58/03/1067465803.db2.gz YZURCBPBYWFIQV-INIZCTEOSA-N 0 0 455.502 4.960 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001459872633 1067467728 /nfs/dbraw/zinc/46/77/28/1067467728.db2.gz STQBMWWIVNDSPV-MRXNPFEDSA-N 0 0 453.402 4.676 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)cc1NC(=O)c1ccccc1F ZINC001459872364 1067467791 /nfs/dbraw/zinc/46/77/91/1067467791.db2.gz RDGYNTMEFMXGMS-LJQANCHMSA-N 0 0 455.530 4.516 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001459872435 1067467849 /nfs/dbraw/zinc/46/78/49/1067467849.db2.gz BIAIQZDBIPABSS-LLGFUMIMSA-N 0 0 457.546 4.564 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001459873625 1067468823 /nfs/dbraw/zinc/46/88/23/1067468823.db2.gz XFBANLPXLMTQJH-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1OC ZINC001459876680 1067469826 /nfs/dbraw/zinc/46/98/26/1067469826.db2.gz LVCRMOXCIVMVAP-QMTMVMCOSA-N 0 0 454.995 4.901 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(Cl)nc2)C1 ZINC001546112421 1067469858 /nfs/dbraw/zinc/46/98/58/1067469858.db2.gz QPIKZLJEHOCTCI-UHFFFAOYSA-N 0 0 455.990 4.979 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)C1 ZINC001546112438 1067470300 /nfs/dbraw/zinc/47/03/00/1067470300.db2.gz RCDMHMQRLBJQPR-UHFFFAOYSA-N 0 0 460.504 4.789 20 0 JJADRN O=C1[C@H](N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC001459878178 1067470337 /nfs/dbraw/zinc/47/03/37/1067470337.db2.gz XZAWZTXHLSDFCA-MOPGFXCFSA-N 0 0 457.304 4.774 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001459879948 1067470726 /nfs/dbraw/zinc/47/07/26/1067470726.db2.gz HRNOVDMVPKIHNZ-UGKGYDQZSA-N 0 0 453.407 4.633 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001459879942 1067470832 /nfs/dbraw/zinc/47/08/32/1067470832.db2.gz HRNOVDMVPKIHNZ-KNQAVFIVSA-N 0 0 453.407 4.633 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001459880993 1067471317 /nfs/dbraw/zinc/47/13/17/1067471317.db2.gz XMLMOBJVOIVEGQ-UHFFFAOYSA-N 0 0 451.638 4.504 20 0 JJADRN COc1cc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc(OC)c1C(C)C ZINC001459881525 1067471805 /nfs/dbraw/zinc/47/18/05/1067471805.db2.gz ORYHISLQEVWYRI-QHCPKHFHSA-N 0 0 451.485 4.978 20 0 JJADRN Cc1ccc(S(=O)(=O)CCCN2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001459884446 1067472658 /nfs/dbraw/zinc/47/26/58/1067472658.db2.gz TVMMWBRDPAPCEG-FQEVSTJZSA-N 0 0 458.624 4.805 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001546112494 1067472759 /nfs/dbraw/zinc/47/27/59/1067472759.db2.gz UDRKRMHGJXVEGT-MXEMCNAFSA-N 0 0 475.678 4.616 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1=O ZINC001459887899 1067473617 /nfs/dbraw/zinc/47/36/17/1067473617.db2.gz NMEZIMGOPWRPGE-NHCUHLMSSA-N 0 0 455.396 4.871 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001459888358 1067474152 /nfs/dbraw/zinc/47/41/52/1067474152.db2.gz PMHFCHCDORYCGM-UHFFFAOYSA-N 0 0 454.860 4.658 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)ccc12 ZINC001459889539 1067474654 /nfs/dbraw/zinc/47/46/54/1067474654.db2.gz GLPKCLQEELJFIL-WGGBDISSSA-N 0 0 454.567 4.880 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NC(C2CCC2)C2CCC2)c1 ZINC001459890932 1067475174 /nfs/dbraw/zinc/47/51/74/1067475174.db2.gz QDFLUEOREGPZMF-UHFFFAOYSA-N 0 0 456.608 4.527 20 0 JJADRN O=C(CN1CC2(C1)CC(F)(F)C2)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001459891890 1067475707 /nfs/dbraw/zinc/47/57/07/1067475707.db2.gz FDRFRQLOYOPAHW-UHFFFAOYSA-N 0 0 453.411 4.627 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001459892092 1067475732 /nfs/dbraw/zinc/47/57/32/1067475732.db2.gz VMDLBRPNEHRZQD-INIZCTEOSA-N 0 0 457.294 4.708 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1 ZINC001459892640 1067476297 /nfs/dbraw/zinc/47/62/97/1067476297.db2.gz FEABZKMQKVOXOO-DEOSSOPVSA-N 0 0 454.526 4.934 20 0 JJADRN CCOC(=O)CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccccc1 ZINC001459895383 1067477686 /nfs/dbraw/zinc/47/76/86/1067477686.db2.gz ZCRNXRSBJLFMIX-GOSISDBHSA-N 0 0 454.954 4.843 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccc(F)c(C)c1 ZINC001459899026 1067478597 /nfs/dbraw/zinc/47/85/97/1067478597.db2.gz ROGBKCLLAFQORQ-QFIPXVFZSA-N 0 0 455.555 4.625 20 0 JJADRN CCOc1cccc2cc([C@H](C)NCc3nnc(C(=O)NCc4ccc(F)cc4)s3)oc21 ZINC001459899824 1067479285 /nfs/dbraw/zinc/47/92/85/1067479285.db2.gz HRSUYCHMHYTKSI-AWEZNQCLSA-N 0 0 454.527 4.603 20 0 JJADRN CCc1ccc(NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)cc1Cl ZINC001459899464 1067479295 /nfs/dbraw/zinc/47/92/95/1067479295.db2.gz KAZVWFGQQRSJRF-UHFFFAOYSA-N 0 0 450.926 4.965 20 0 JJADRN COc1cc2nc(CN[C@@H](C)c3sc(-c4ccc(F)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459901232 1067480337 /nfs/dbraw/zinc/48/03/37/1067480337.db2.gz FTAYDFFJSGVQTP-LBPRGKRZSA-N 0 0 454.527 4.774 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc(C)cc2Sc2ccccc2)s1 ZINC001459900944 1067480379 /nfs/dbraw/zinc/48/03/79/1067480379.db2.gz WNQIFMSJBRSORX-HZPDHXFCSA-N 0 0 454.621 4.953 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC001459901430 1067480813 /nfs/dbraw/zinc/48/08/13/1067480813.db2.gz LDLZHHPAGSCMGO-LMDNQSJLSA-N 0 0 450.982 4.585 20 0 JJADRN C[C@@H](OC(=O)c1cc(I)c(F)cc1F)c1ccc(C(F)(F)F)nc1 ZINC001459902442 1067480852 /nfs/dbraw/zinc/48/08/52/1067480852.db2.gz CCBXXMQKOWEERS-SSDOTTSWSA-N 0 0 457.136 4.901 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC001459901438 1067480902 /nfs/dbraw/zinc/48/09/02/1067480902.db2.gz LDLZHHPAGSCMGO-XUUHZRNCSA-N 0 0 450.982 4.585 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)c3ccccc32)C1 ZINC001459903594 1067481444 /nfs/dbraw/zinc/48/14/44/1067481444.db2.gz VECZGRNCJPAGJS-NQIIRXRSSA-N 0 0 455.396 4.911 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC001459904553 1067481938 /nfs/dbraw/zinc/48/19/38/1067481938.db2.gz XJYWQVDIPRJLCP-QGZVFWFLSA-N 0 0 454.596 4.544 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@@H]3CCOC3)c(F)c2)cc1C ZINC001459906022 1067482992 /nfs/dbraw/zinc/48/29/92/1067482992.db2.gz KAVIGVGXSCOTON-FGZHOGPDSA-N 0 0 454.542 4.619 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001459907814 1067484057 /nfs/dbraw/zinc/48/40/57/1067484057.db2.gz CXTDHTTWBFRYIB-RTWAWAEBSA-N 0 0 454.567 4.721 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001459908001 1067484098 /nfs/dbraw/zinc/48/40/98/1067484098.db2.gz GOLWVRQQIGPBTB-UNOMPAQXSA-N 0 0 457.958 4.830 20 0 JJADRN COc1cc(C)c(NC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c(C)c1C ZINC001459909846 1067485089 /nfs/dbraw/zinc/48/50/89/1067485089.db2.gz CGIGTAQNZLTLIG-UHFFFAOYSA-N 0 0 459.930 4.912 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)C2)cc1 ZINC001459910318 1067485824 /nfs/dbraw/zinc/48/58/24/1067485824.db2.gz FBFBEARTLBEUOU-RDPSFJRHSA-N 0 0 454.636 4.689 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1=O ZINC001459911745 1067486860 /nfs/dbraw/zinc/48/68/60/1067486860.db2.gz SXGZXMRZWVSMLB-LLVKDONJSA-N 0 0 455.711 4.550 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC001459913136 1067487342 /nfs/dbraw/zinc/48/73/42/1067487342.db2.gz VXUWDKFIYQZBAL-WAIKUNEKSA-N 0 0 452.530 4.583 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)CSCc2ccc(Br)cc2)C1 ZINC001459914128 1067487828 /nfs/dbraw/zinc/48/78/28/1067487828.db2.gz ZTOARAXRINPTHU-GOSISDBHSA-N 0 0 450.398 4.761 20 0 JJADRN O=C1[C@@H](N2CCO[C@@H](c3cccc(Cl)c3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001459913958 1067487897 /nfs/dbraw/zinc/48/78/97/1067487897.db2.gz OYZZDPQXHSKLQO-LEWJYISDSA-N 0 0 452.904 4.923 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC001459915553 1067488960 /nfs/dbraw/zinc/48/89/60/1067488960.db2.gz AHGKQBWXTKYNMQ-JOCHJYFZSA-N 0 0 455.624 4.526 20 0 JJADRN CCOC(=O)C1=C(CN[C@@H](C)c2ccc(Cl)s2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459915913 1067488968 /nfs/dbraw/zinc/48/89/68/1067488968.db2.gz XFDDWTURYMNUHE-VOJFVSQTSA-N 0 0 454.379 4.577 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001459916759 1067489500 /nfs/dbraw/zinc/48/95/00/1067489500.db2.gz DPPRAJMQJYGTFB-RZXSNQJFSA-N 0 0 463.416 4.802 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc(Cl)c1OCC(C)C ZINC001459917840 1067489996 /nfs/dbraw/zinc/48/99/96/1067489996.db2.gz GHCLWVNBGCIDPA-GOSISDBHSA-N 0 0 452.979 4.611 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459920315 1067491311 /nfs/dbraw/zinc/49/13/11/1067491311.db2.gz LNGSYXNDYJJHBZ-SQNIBIBYSA-N 0 0 456.505 4.722 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)/C=C\c2ccccc2OC(F)(F)F)C1 ZINC001459921579 1067492325 /nfs/dbraw/zinc/49/23/25/1067492325.db2.gz QIAOWKDQVDSCDM-BQRCBDCPSA-N 0 0 454.489 4.848 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459925068 1067493851 /nfs/dbraw/zinc/49/38/51/1067493851.db2.gz VEIKURXQYVPFSQ-IHPCNDPISA-N 0 0 455.603 4.574 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)ccc1OCCC(C)C ZINC001459925064 1067493871 /nfs/dbraw/zinc/49/38/71/1067493871.db2.gz WYNHQAZYTZFYSN-FQEVSTJZSA-N 0 0 457.571 4.765 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459925059 1067493880 /nfs/dbraw/zinc/49/38/80/1067493880.db2.gz VEIKURXQYVPFSQ-HOJAQTOUSA-N 0 0 455.603 4.574 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459926115 1067494838 /nfs/dbraw/zinc/49/48/38/1067494838.db2.gz WLDYQDVQEZPIHA-MSOLQXFVSA-N 0 0 456.505 4.722 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCC1 ZINC001459935142 1067498456 /nfs/dbraw/zinc/49/84/56/1067498456.db2.gz LICLLBJZTNTMJO-OAQYLSRUSA-N 0 0 454.636 4.936 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001459938096 1067499203 /nfs/dbraw/zinc/49/92/03/1067499203.db2.gz YDRXYVQOKYSATL-NRFANRHFSA-N 0 0 458.484 4.520 20 0 JJADRN CC(C)OC(=O)C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC001459937711 1067499659 /nfs/dbraw/zinc/49/96/59/1067499659.db2.gz RSJQKGYAOQCCPR-OAQYLSRUSA-N 0 0 452.551 4.729 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCc3cccc(OCc4ccccc4)c3)CCC(=O)N2C)cc1 ZINC001459939758 1067499682 /nfs/dbraw/zinc/49/96/82/1067499682.db2.gz CSUYYNXXWWESKX-XNMGPUDCSA-N 0 0 458.558 4.500 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 ZINC001459939407 1067500149 /nfs/dbraw/zinc/50/01/49/1067500149.db2.gz YEQNAEDIEXHSRK-KBPBESRZSA-N 0 0 459.310 4.637 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2cccc(OCc3ccccc3)c2)cs1 ZINC001459939838 1067500174 /nfs/dbraw/zinc/50/01/74/1067500174.db2.gz FHTRARHQUSSQGK-UHFFFAOYSA-N 0 0 453.564 4.677 20 0 JJADRN COc1ccc2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2c1 ZINC001459941714 1067500544 /nfs/dbraw/zinc/50/05/44/1067500544.db2.gz HXDHUINMCNASST-NRFANRHFSA-N 0 0 453.336 4.741 20 0 JJADRN CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(Br)c(F)c1 ZINC001459941608 1067500727 /nfs/dbraw/zinc/50/07/27/1067500727.db2.gz SUCCDPIBSGZYEC-UHFFFAOYSA-N 0 0 457.347 4.722 20 0 JJADRN COC(=O)Nc1cccc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC001459941992 1067500760 /nfs/dbraw/zinc/50/07/60/1067500760.db2.gz QGKLDFZQNRNPQS-UHFFFAOYSA-N 0 0 450.520 4.985 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)cc2)n1 ZINC001459943568 1067501100 /nfs/dbraw/zinc/50/11/00/1067501100.db2.gz GXAVFIJLGQZJKM-SIKLNZKXSA-N 0 0 452.942 4.595 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)c1 ZINC001459943970 1067501495 /nfs/dbraw/zinc/50/14/95/1067501495.db2.gz AWHVRUQWGMBXRV-UHFFFAOYSA-N 0 0 455.894 4.866 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2nn(C(C)(C)C)cc2Br)C(C)(C)C)c1 ZINC001459944973 1067501981 /nfs/dbraw/zinc/50/19/81/1067501981.db2.gz NADHWLDXHPEDPJ-UHFFFAOYSA-N 0 0 452.393 4.859 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cc(C)c(F)cc1Cl ZINC001459945488 1067502169 /nfs/dbraw/zinc/50/21/69/1067502169.db2.gz JRCLAZUHXXXXGS-UHFFFAOYSA-N 0 0 452.869 4.845 20 0 JJADRN CC(C)c1sc(NC(=O)CN2CCO[C@@H](COc3ccccc3)C2)nc1-c1ccccc1 ZINC001459945938 1067502301 /nfs/dbraw/zinc/50/23/01/1067502301.db2.gz SZDXUZRBRAJCDK-OAQYLSRUSA-N 0 0 451.592 4.652 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CCN(c4ccccc4F)C3)c2)c1 ZINC001459947648 1067502617 /nfs/dbraw/zinc/50/26/17/1067502617.db2.gz RVJYUASYVPVLMO-LJQANCHMSA-N 0 0 450.510 4.778 20 0 JJADRN CCc1c(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)cnn1-c1ccccn1 ZINC001459948140 1067503156 /nfs/dbraw/zinc/50/31/56/1067503156.db2.gz VYXFGJAARHODRP-UHFFFAOYSA-N 0 0 458.518 4.569 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948611 1067503432 /nfs/dbraw/zinc/50/34/32/1067503432.db2.gz BSYVGLYJLHCGNW-STQMWFEESA-N 0 0 459.395 4.876 20 0 JJADRN Cc1ccn(-c2ccc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)cc2)n1 ZINC001459949634 1067504038 /nfs/dbraw/zinc/50/40/38/1067504038.db2.gz BQJMGELCDMAIAB-QHCPKHFHSA-N 0 0 459.550 4.737 20 0 JJADRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001459955673 1067506465 /nfs/dbraw/zinc/50/64/65/1067506465.db2.gz IVKLDTNHLRODKA-QGZVFWFLSA-N 0 0 450.649 4.577 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001459958304 1067507205 /nfs/dbraw/zinc/50/72/05/1067507205.db2.gz FHPYSAPWWSDWND-FZKQIMNGSA-N 0 0 455.755 4.951 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001459959932 1067508131 /nfs/dbraw/zinc/50/81/31/1067508131.db2.gz OBTCRNPREITMPY-DEOSSOPVSA-N 0 0 453.537 4.527 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1 ZINC001459959631 1067508144 /nfs/dbraw/zinc/50/81/44/1067508144.db2.gz NALNKWUTEHBSLZ-KBPBESRZSA-N 0 0 456.427 4.601 20 0 JJADRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459961044 1067508450 /nfs/dbraw/zinc/50/84/50/1067508450.db2.gz PBGVSMNEHMPANZ-PGRDOPGGSA-N 0 0 453.560 4.876 20 0 JJADRN Fc1ccccc1COc1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC001459963889 1067509158 /nfs/dbraw/zinc/50/91/58/1067509158.db2.gz RQCCJRMOHJUWSO-UHFFFAOYSA-N 0 0 452.477 4.597 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN1CCC(c2ccccc2Br)CC1 ZINC001459963523 1067509191 /nfs/dbraw/zinc/50/91/91/1067509191.db2.gz QERRKFUNMZHPBO-UHFFFAOYSA-N 0 0 451.792 4.607 20 0 JJADRN CC(=O)N(c1nc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cs1)c1ccc(C(F)(F)F)cc1 ZINC001459964155 1067509696 /nfs/dbraw/zinc/50/96/96/1067509696.db2.gz NHNCGZVGPOJABU-ZDUSSCGKSA-N 0 0 456.534 4.582 20 0 JJADRN CNC(=O)COc1cccc(CC(=O)NCc2cccc(Oc3cccc4ccccc43)c2)c1 ZINC001459965476 1067509905 /nfs/dbraw/zinc/50/99/05/1067509905.db2.gz YMOOZUNRSCOUOI-UHFFFAOYSA-N 0 0 454.526 4.616 20 0 JJADRN COCCCOc1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1OC ZINC001459969764 1067510402 /nfs/dbraw/zinc/51/04/02/1067510402.db2.gz UPRISSKAQFCIJH-UHFFFAOYSA-N 0 0 457.958 4.878 20 0 JJADRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001459966438 1067510446 /nfs/dbraw/zinc/51/04/46/1067510446.db2.gz ZLVYXRQLPSTXFC-UHFFFAOYSA-N 0 0 455.550 4.564 20 0 JJADRN CCOC(=O)[C@@H](NCc1c(C)cc(C)nc1OCc1ccccc1)c1ccc(OC)c(F)c1 ZINC001459967556 1067510457 /nfs/dbraw/zinc/51/04/57/1067510457.db2.gz DKDQHTQFDJXJAW-DEOSSOPVSA-N 0 0 452.526 4.819 20 0 JJADRN O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459971006 1067510770 /nfs/dbraw/zinc/51/07/70/1067510770.db2.gz DLKOWRCEIVQXAD-JOCHJYFZSA-N 0 0 450.476 4.955 20 0 JJADRN CCOC(=O)[C@@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(OC)c(F)c1 ZINC001459972227 1067511083 /nfs/dbraw/zinc/51/10/83/1067511083.db2.gz USGKURDCQNZQDF-SFHVURJKSA-N 0 0 454.285 4.585 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c2ccccc21 ZINC001459973524 1067511430 /nfs/dbraw/zinc/51/14/30/1067511430.db2.gz HJKXMXMZCAFBEB-IFXJQAMLSA-N 0 0 450.753 4.846 20 0 JJADRN Cc1cccc(C)c1OCCNC(=O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001459973332 1067511479 /nfs/dbraw/zinc/51/14/79/1067511479.db2.gz YFLRUMHCBLPHDR-FQEVSTJZSA-N 0 0 452.542 4.607 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459973510 1067511540 /nfs/dbraw/zinc/51/15/40/1067511540.db2.gz FEFUOJABGFHZOO-UHFFFAOYSA-N 0 0 459.775 4.559 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001459973767 1067511547 /nfs/dbraw/zinc/51/15/47/1067511547.db2.gz JNHRODKOYKIBFY-HSZRJFAPSA-N 0 0 457.496 4.673 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)nn1C1CCOCC1 ZINC001459975637 1067512644 /nfs/dbraw/zinc/51/26/44/1067512644.db2.gz NJPBFWKJRAURKU-GOSISDBHSA-N 0 0 455.773 4.866 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCN(c4cccc(Br)c4)CC3)cc2)c1 ZINC001459976834 1067512978 /nfs/dbraw/zinc/51/29/78/1067512978.db2.gz PEPOYTDVLVHFQB-UHFFFAOYSA-N 0 0 452.352 4.907 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001459977219 1067513001 /nfs/dbraw/zinc/51/30/01/1067513001.db2.gz YUCXZHLOPVHFKU-JOCHJYFZSA-N 0 0 458.961 4.921 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC001459977351 1067513134 /nfs/dbraw/zinc/51/31/34/1067513134.db2.gz XGNQCPFBPQZUTA-DYVFJYSZSA-N 0 0 458.817 4.980 20 0 JJADRN CCCc1c(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)[nH]c(C)c1C(C)=O ZINC001459977452 1067513161 /nfs/dbraw/zinc/51/31/61/1067513161.db2.gz QUORLOQUEJFFKC-OAQYLSRUSA-N 0 0 453.583 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001459977697 1067513212 /nfs/dbraw/zinc/51/32/12/1067513212.db2.gz SUAWWMAYGMSIIT-MOUTVQLLSA-N 0 0 456.627 4.881 20 0 JJADRN O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccc2nccnc2c1Br ZINC001459978363 1067513473 /nfs/dbraw/zinc/51/34/73/1067513473.db2.gz AEMHZDFTVKIWJG-UHFFFAOYSA-N 0 0 455.337 4.919 20 0 JJADRN O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001459978240 1067513535 /nfs/dbraw/zinc/51/35/35/1067513535.db2.gz XOXPNWXMZMMOQK-UHFFFAOYSA-N 0 0 456.608 4.503 20 0 JJADRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001459978968 1067513898 /nfs/dbraw/zinc/51/38/98/1067513898.db2.gz HEQDQENVQWDMSO-VQTJNVASSA-N 0 0 453.583 4.534 20 0 JJADRN Cn1c2ccccc2nc1[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982507 1067515261 /nfs/dbraw/zinc/51/52/61/1067515261.db2.gz FMAQZVLKRNAHSS-WMZHIEFXSA-N 0 0 455.480 4.711 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001459981670 1067515285 /nfs/dbraw/zinc/51/52/85/1067515285.db2.gz BFPWCNKMIJTELW-OALUTQOASA-N 0 0 458.274 4.544 20 0 JJADRN O=C(NCc1c(F)cccc1N1CCCC1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459984838 1067515527 /nfs/dbraw/zinc/51/55/27/1067515527.db2.gz GTGORNQDLGXDPO-HSZRJFAPSA-N 0 0 450.476 4.710 20 0 JJADRN COCCNC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1 ZINC001459983958 1067515670 /nfs/dbraw/zinc/51/56/70/1067515670.db2.gz AVQNMDCBWSFQNN-QFIPXVFZSA-N 0 0 456.514 4.813 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC001459986250 1067515917 /nfs/dbraw/zinc/51/59/17/1067515917.db2.gz MTHCPDAGMKKSMG-UHFFFAOYSA-N 0 0 451.489 4.570 20 0 JJADRN CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3ccc(C)cc32)ccc1F ZINC001459986305 1067516011 /nfs/dbraw/zinc/51/60/11/1067516011.db2.gz AEJDDJGXAODHNM-UHFFFAOYSA-N 0 0 455.536 4.571 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c(F)cc1C ZINC001459986134 1067516020 /nfs/dbraw/zinc/51/60/20/1067516020.db2.gz BYKDGTAOZOKRCT-UHFFFAOYSA-N 0 0 459.905 4.961 20 0 JJADRN CNS(=O)(=O)c1cc(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)ccc1F ZINC001459986408 1067516052 /nfs/dbraw/zinc/51/60/52/1067516052.db2.gz AMWMMKXKOGPFLI-YWSAFRLMSA-N 0 0 471.381 4.878 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cncc(Cl)c2Br)cc(C(F)(F)F)c1 ZINC001459986855 1067516249 /nfs/dbraw/zinc/51/62/49/1067516249.db2.gz ONKNOTSPGDQXMZ-UHFFFAOYSA-N 0 0 452.614 4.947 20 0 JJADRN COCC1(CNC(=O)c2cccc(-c3nc(C)cs3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459986697 1067516415 /nfs/dbraw/zinc/51/64/15/1067516415.db2.gz OCWBPCDQVRZPDA-UHFFFAOYSA-N 0 0 459.612 4.512 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC001459989472 1067517081 /nfs/dbraw/zinc/51/70/81/1067517081.db2.gz QVFCERFFVYYCMJ-SFHVURJKSA-N 0 0 453.930 4.772 20 0 JJADRN COCC1(CNC(=O)CC2CCC(C(F)(F)F)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459989571 1067517133 /nfs/dbraw/zinc/51/71/33/1067517133.db2.gz SBCVMOVYAVXLLM-UHFFFAOYSA-N 0 0 450.542 4.525 20 0 JJADRN COCC1(CNC(=O)C(c2ccccc2)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459990819 1067517550 /nfs/dbraw/zinc/51/75/50/1067517550.db2.gz UPIPFGIEEATBIZ-UHFFFAOYSA-N 0 0 452.595 4.598 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(Br)cc2c1OCC2 ZINC001459991369 1067518131 /nfs/dbraw/zinc/51/81/31/1067518131.db2.gz JTHPBIZAVULAKW-YJBOKZPZSA-N 0 0 458.352 4.541 20 0 JJADRN Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC001459993622 1067518855 /nfs/dbraw/zinc/51/88/55/1067518855.db2.gz TWUYBXYACAIHQU-UHFFFAOYSA-N 0 0 452.482 4.786 20 0 JJADRN CC(C)c1nnc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)s1 ZINC001459995368 1067519573 /nfs/dbraw/zinc/51/95/73/1067519573.db2.gz UAUHBWZTVYHIKB-GFCCVEGCSA-N 0 0 451.312 4.646 20 0 JJADRN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001459998471 1067520541 /nfs/dbraw/zinc/52/05/41/1067520541.db2.gz NXUWUIOZSYGMAM-CQSZACIVSA-N 0 0 451.880 4.611 20 0 JJADRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001459998643 1067520562 /nfs/dbraw/zinc/52/05/62/1067520562.db2.gz RWSXUXKHHWHTQZ-SFHVURJKSA-N 0 0 455.967 4.738 20 0 JJADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCCC[C@H]3c3ccc(Cl)cc3)cc2)C1 ZINC001459998931 1067520643 /nfs/dbraw/zinc/52/06/43/1067520643.db2.gz OHCDHAZLIXXSEJ-QDSKXPNFSA-N 0 0 454.014 4.888 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2)cc1C ZINC001460004764 1067522900 /nfs/dbraw/zinc/52/29/00/1067522900.db2.gz HQZLFMUFPFVTOW-LJQANCHMSA-N 0 0 450.608 4.517 20 0 JJADRN O=C(OCc1cn(-c2ccccc2Br)nn1)c1ccccc1CCC(F)(F)F ZINC001460004037 1067523147 /nfs/dbraw/zinc/52/31/47/1067523147.db2.gz GRSKDIGYUHEDAN-UHFFFAOYSA-N 0 0 454.246 4.882 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c(Cl)c1 ZINC001460004432 1067523166 /nfs/dbraw/zinc/52/31/66/1067523166.db2.gz HXMQXKHHLPWVCM-UHFFFAOYSA-N 0 0 454.930 4.863 20 0 JJADRN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001460007930 1067524679 /nfs/dbraw/zinc/52/46/79/1067524679.db2.gz SPJBYHQZFWPZOT-UHFFFAOYSA-N 0 0 450.347 4.885 20 0 JJADRN CO[C@@H]1CC[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001460008632 1067525321 /nfs/dbraw/zinc/52/53/21/1067525321.db2.gz KXNJRBSFGPHURP-RTWAWAEBSA-N 0 0 455.352 4.955 20 0 JJADRN C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl)c1ccccc1 ZINC001460010426 1067525993 /nfs/dbraw/zinc/52/59/93/1067525993.db2.gz GOEIPTCWBYHTRP-GCJKJVERSA-N 0 0 458.002 4.811 20 0 JJADRN Cn1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3Cl)on2)cn1 ZINC001460010930 1067526333 /nfs/dbraw/zinc/52/63/33/1067526333.db2.gz LZWKSESWASGDDA-NRFANRHFSA-N 0 0 457.962 4.523 20 0 JJADRN COCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001460011366 1067526339 /nfs/dbraw/zinc/52/63/39/1067526339.db2.gz MEPNGPUYXMOBFH-ORAYPTAESA-N 0 0 457.304 4.519 20 0 JJADRN COCC[C@@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC001460012542 1067526879 /nfs/dbraw/zinc/52/68/79/1067526879.db2.gz XCXWDLGZEYWZAI-MRXNPFEDSA-N 0 0 458.411 4.871 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001460013522 1067527158 /nfs/dbraw/zinc/52/71/58/1067527158.db2.gz ITSVRODJVNFTCE-ICSRJNTNSA-N 0 0 450.023 4.723 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)o1 ZINC001460014688 1067527760 /nfs/dbraw/zinc/52/77/60/1067527760.db2.gz QNKQJKUSWPUJIV-FQEVSTJZSA-N 0 0 454.571 4.927 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)o1 ZINC001460014692 1067527777 /nfs/dbraw/zinc/52/77/77/1067527777.db2.gz QNKQJKUSWPUJIV-HXUWFJFHSA-N 0 0 454.571 4.927 20 0 JJADRN O=C1[C@H](N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014040 1067527810 /nfs/dbraw/zinc/52/78/10/1067527810.db2.gz ALKXSXDDMLSLNJ-SJORKVTESA-N 0 0 451.247 4.580 20 0 JJADRN O=C1[C@H](N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCN1c1ccc(Cl)c(F)c1 ZINC001460014034 1067527846 /nfs/dbraw/zinc/52/78/46/1067527846.db2.gz ALKXSXDDMLSLNJ-IAGOWNOFSA-N 0 0 451.247 4.580 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC001460015205 1067528213 /nfs/dbraw/zinc/52/82/13/1067528213.db2.gz PILGLPHDYSQNAM-UHFFFAOYSA-N 0 0 459.775 4.707 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1c1ccccc1 ZINC001460016716 1067529247 /nfs/dbraw/zinc/52/92/47/1067529247.db2.gz LPNJCEBDEQBIQH-FXAWDEMLSA-N 0 0 456.493 4.508 20 0 JJADRN CCCO[C@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(F)cc1C ZINC001460018907 1067530086 /nfs/dbraw/zinc/53/00/86/1067530086.db2.gz IVCYUCQLBXLPIG-NRFANRHFSA-N 0 0 452.498 4.944 20 0 JJADRN C[C@@H](NC(=O)CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1Cl ZINC001460019235 1067530457 /nfs/dbraw/zinc/53/04/57/1067530457.db2.gz RAJKIQINDWCRJP-OAHLLOKOSA-N 0 0 450.385 4.837 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Oc1c(C)cc(Cl)cc1Br)NC(C)=O ZINC001460023492 1067531880 /nfs/dbraw/zinc/53/18/80/1067531880.db2.gz LEZLNEOCICEKCE-KRWDZBQOSA-N 0 0 454.748 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)[C@H](c2cccnc2)C1 ZINC001460023362 1067532320 /nfs/dbraw/zinc/53/23/20/1067532320.db2.gz HVIFNHZEDXQBPR-IBGZPJMESA-N 0 0 455.946 4.579 20 0 JJADRN Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460026792 1067533159 /nfs/dbraw/zinc/53/31/59/1067533159.db2.gz MGAINTXHXADDHI-KRWDZBQOSA-N 0 0 457.958 4.665 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC001460029187 1067533564 /nfs/dbraw/zinc/53/35/64/1067533564.db2.gz RRXSCVZYHSFXHD-FQEVSTJZSA-N 0 0 454.571 4.855 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC001460030265 1067534082 /nfs/dbraw/zinc/53/40/82/1067534082.db2.gz KYZGHJVBINUUGX-UHFFFAOYSA-N 0 0 451.567 4.867 20 0 JJADRN OC1(Cc2ccccc2F)CCN(Cc2ccc(I)c(Cl)c2)CC1 ZINC001460032043 1067534476 /nfs/dbraw/zinc/53/44/76/1067534476.db2.gz VEQRIVXJHXNDLA-UHFFFAOYSA-N 0 0 459.730 4.653 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)nn1-c1ccccc1F ZINC001460031861 1067534565 /nfs/dbraw/zinc/53/45/65/1067534565.db2.gz KTUUPYDNVWRKIX-SFHVURJKSA-N 0 0 458.335 4.568 20 0 JJADRN CCCCc1cnc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)nc1 ZINC001460032367 1067534921 /nfs/dbraw/zinc/53/49/21/1067534921.db2.gz PKCVUCGRSPPITB-WXFUMESZSA-N 0 0 450.627 4.948 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCCc2ncccc2C)c1 ZINC001460036811 1067535678 /nfs/dbraw/zinc/53/56/78/1067535678.db2.gz LSYUJVBENSRGPF-UHFFFAOYSA-N 0 0 456.546 4.623 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c(F)c1F ZINC001460035305 1067535700 /nfs/dbraw/zinc/53/57/00/1067535700.db2.gz CAMHPVHZFNMHMI-VUFQOXLZSA-N 0 0 452.498 4.548 20 0 JJADRN CC(C)(C)n1cc(CN(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)nn1 ZINC001460038527 1067536038 /nfs/dbraw/zinc/53/60/38/1067536038.db2.gz MOSDBZKBCPQQFA-IBGZPJMESA-N 0 0 453.450 4.572 20 0 JJADRN C[C@@H](NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC001460042382 1067537187 /nfs/dbraw/zinc/53/71/87/1067537187.db2.gz ZBTRHPKKXCHAGF-VGOFRKELSA-N 0 0 450.380 4.669 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)C3)cc1 ZINC001460047797 1067538665 /nfs/dbraw/zinc/53/86/65/1067538665.db2.gz XAJPLGPZXKPAHE-QGZVFWFLSA-N 0 0 453.384 4.637 20 0 JJADRN O=C(c1cc(F)c(F)cc1I)N1CCCc2c(F)c(F)c(F)cc21 ZINC001460050355 1067539290 /nfs/dbraw/zinc/53/92/90/1067539290.db2.gz BRELKMOXRQIMAL-UHFFFAOYSA-N 0 0 453.148 4.580 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1 ZINC001460054628 1067540128 /nfs/dbraw/zinc/54/01/28/1067540128.db2.gz MBSJJNRFWGIAEP-SFHVURJKSA-N 0 0 456.593 4.527 20 0 JJADRN O=C(CN1CC2(CCC2)c2cc(Br)ccc21)NCc1ccc(OC(F)F)cc1 ZINC001460053994 1067540295 /nfs/dbraw/zinc/54/02/95/1067540295.db2.gz HTLCPDPCYBIXBG-UHFFFAOYSA-N 0 0 451.311 4.609 20 0 JJADRN CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC001460056330 1067540623 /nfs/dbraw/zinc/54/06/23/1067540623.db2.gz SSPOVIYIRIITTK-VGOFRKELSA-N 0 0 453.535 4.892 20 0 JJADRN O=C(CN[C@@H](CO)c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F ZINC001460055203 1067540649 /nfs/dbraw/zinc/54/06/49/1067540649.db2.gz MVKHEHOHRNCDBZ-AWEZNQCLSA-N 0 0 456.770 4.519 20 0 JJADRN Cn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cn1 ZINC001460056324 1067541138 /nfs/dbraw/zinc/54/11/38/1067541138.db2.gz OWIOOBRKWVHPEC-XBBWARJSSA-N 0 0 450.391 4.825 20 0 JJADRN OC[C@@H](NCc1cc(Br)ccc1OC(F)F)c1ccccc1OC(F)(F)F ZINC001460057690 1067541307 /nfs/dbraw/zinc/54/13/07/1067541307.db2.gz YZFNIMLCKGEADC-CYBMUJFWSA-N 0 0 456.205 4.772 20 0 JJADRN C[C@H]1CSCCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC001460058019 1067541516 /nfs/dbraw/zinc/54/15/16/1067541516.db2.gz KSHVVQVJMQFLDT-OAHLLOKOSA-N 0 0 451.514 4.581 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001460062201 1067542390 /nfs/dbraw/zinc/54/23/90/1067542390.db2.gz RYCDNFYAFCNKQF-UHFFFAOYSA-N 0 0 457.486 4.674 20 0 JJADRN Cc1cc(-c2nc(C(=O)O[C@@H](C)c3ccc(F)c(I)c3)co2)ccn1 ZINC001460063028 1067542837 /nfs/dbraw/zinc/54/28/37/1067542837.db2.gz UDLYFBVRXWYART-NSHDSACASA-N 0 0 452.223 4.707 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C)c1ccc(F)c(I)c1 ZINC001460064318 1067543698 /nfs/dbraw/zinc/54/36/98/1067543698.db2.gz ZWOFZHIPRWHXPV-VHSXEESVSA-N 0 0 450.194 4.780 20 0 JJADRN O=C(N1C[C@@H]2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCCC3)C[C@@H]2C1)C(F)(F)F ZINC001460067089 1067544578 /nfs/dbraw/zinc/54/45/78/1067544578.db2.gz BCCUKPUMSIDQPF-ZWKOTPCHSA-N 0 0 456.936 4.702 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1C ZINC001460073353 1067546923 /nfs/dbraw/zinc/54/69/23/1067546923.db2.gz AWFJMEZDZPNIHN-CQSZACIVSA-N 0 0 455.908 4.900 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460073831 1067547368 /nfs/dbraw/zinc/54/73/68/1067547368.db2.gz QBSLVAYBCRZOCO-HZPDHXFCSA-N 0 0 452.860 4.615 20 0 JJADRN COCC[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC001460075470 1067547720 /nfs/dbraw/zinc/54/77/20/1067547720.db2.gz JZNHOAXKFUCUOF-INIZCTEOSA-N 0 0 453.461 4.955 20 0 JJADRN Cc1ccc(CN(C(=O)CN2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C2CC2)o1 ZINC001460078649 1067548512 /nfs/dbraw/zinc/54/85/12/1067548512.db2.gz UKKGSXQEWIAALK-UHFFFAOYSA-N 0 0 455.908 4.573 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC001460084006 1067549699 /nfs/dbraw/zinc/54/96/99/1067549699.db2.gz LBBDDQUMTAXKLI-YJBOKZPZSA-N 0 0 456.892 4.872 20 0 JJADRN CC[C@](NCC(=O)Nc1ccccc1Cc1ccccc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460089547 1067551212 /nfs/dbraw/zinc/55/12/12/1067551212.db2.gz ISCXIHGSTRUZDI-AREMUKBSSA-N 0 0 450.966 4.937 20 0 JJADRN CC[C@@](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088510 1067551356 /nfs/dbraw/zinc/55/13/56/1067551356.db2.gz DKJODAFGPYHDBA-ZSEKCTLFSA-N 0 0 457.785 4.892 20 0 JJADRN CCc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1Cl ZINC001460089355 1067551454 /nfs/dbraw/zinc/55/14/54/1067551454.db2.gz LOIRKEPXNFLSLF-OAHLLOKOSA-N 0 0 450.808 4.814 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOCC23CCCCC3)cc1)c1ccc(Br)cc1 ZINC001460092876 1067552625 /nfs/dbraw/zinc/55/26/25/1067552625.db2.gz JDEMFHJTAXMAJW-UHFFFAOYSA-N 0 0 457.368 4.877 20 0 JJADRN Cc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)n1 ZINC001460094780 1067553071 /nfs/dbraw/zinc/55/30/71/1067553071.db2.gz RBPQBCCJKDDYAM-KRWDZBQOSA-N 0 0 453.365 4.871 20 0 JJADRN C[C@H](Cc1cccc(F)c1)C(=O)Nc1nc(C(F)(F)F)c(I)s1 ZINC001460096054 1067553455 /nfs/dbraw/zinc/55/34/55/1067553455.db2.gz CHFJZDUQJQGZBL-SSDOTTSWSA-N 0 0 458.218 4.723 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)c(I)s1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001460096234 1067553586 /nfs/dbraw/zinc/55/35/86/1067553586.db2.gz DFRBFGJCPVFDPO-OQPBUACISA-N 0 0 456.202 4.590 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCCCC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001460096319 1067553829 /nfs/dbraw/zinc/55/38/29/1067553829.db2.gz YWRAJLIOCCRVKA-UHFFFAOYSA-N 0 0 455.352 4.692 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CCCSc2ccccc2)CCS1 ZINC001546113846 1067553835 /nfs/dbraw/zinc/55/38/35/1067553835.db2.gz MQHMJACPBYMWML-UHFFFAOYSA-N 0 0 461.701 4.711 20 0 JJADRN CN1CCN(c2ncc(Br)cc2NC(=O)c2ccc(-c3ccccc3)s2)CC1 ZINC001460097329 1067554266 /nfs/dbraw/zinc/55/42/66/1067554266.db2.gz MFNXOYKOFJLHST-UHFFFAOYSA-N 0 0 457.397 4.577 20 0 JJADRN O=C(Cc1cc2ccccc2o1)Nc1nc(C(F)(F)F)c(I)s1 ZINC001460099333 1067554953 /nfs/dbraw/zinc/55/49/53/1067554953.db2.gz LSOCNWSCMWDDPB-UHFFFAOYSA-N 0 0 452.195 4.694 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)c1 ZINC001460101884 1067555460 /nfs/dbraw/zinc/55/54/60/1067555460.db2.gz VKAXYDLDNVIRCG-UHFFFAOYSA-N 0 0 457.596 4.706 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001460108190 1067556512 /nfs/dbraw/zinc/55/65/12/1067556512.db2.gz YOQDXDGJGCNFNG-TUNNFDKTSA-N 0 0 456.533 4.983 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)CCS1 ZINC001546113930 1067556591 /nfs/dbraw/zinc/55/65/91/1067556591.db2.gz OXUNSPLOXNHIOD-HXUWFJFHSA-N 0 0 492.089 4.543 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)nc1 ZINC001460110369 1067557042 /nfs/dbraw/zinc/55/70/42/1067557042.db2.gz BIBAQRKBPQOFRO-UHFFFAOYSA-N 0 0 450.466 4.785 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460112004 1067557304 /nfs/dbraw/zinc/55/73/04/1067557304.db2.gz UKQMIYQVDGFTAG-APWZRJJASA-N 0 0 462.438 4.941 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)C1 ZINC001460112437 1067557378 /nfs/dbraw/zinc/55/73/78/1067557378.db2.gz PCWYOUJBXIYTTL-OLZOCXBDSA-N 0 0 452.780 4.874 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)nc1C(C)C ZINC001460113502 1067557704 /nfs/dbraw/zinc/55/77/04/1067557704.db2.gz ZCDVBMLRXCTBNP-UHFFFAOYSA-N 0 0 452.458 4.818 20 0 JJADRN O=C(c1cc(F)ccc1Sc1ccc(Cl)cc1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001460115921 1067558362 /nfs/dbraw/zinc/55/83/62/1067558362.db2.gz BAZZNIXXFXQGJW-NRFANRHFSA-N 0 0 453.988 4.671 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001460115593 1067558434 /nfs/dbraw/zinc/55/84/34/1067558434.db2.gz ZDXBTNWRUFQZNP-OFNKIYASSA-N 0 0 450.608 4.767 20 0 JJADRN Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCO1 ZINC001460121570 1067559278 /nfs/dbraw/zinc/55/92/78/1067559278.db2.gz HUUKKSREFDIUPA-YOEHRIQHSA-N 0 0 451.470 4.697 20 0 JJADRN COc1cc(NC(=O)CN2CCC(F)(Cc3ccc(Cl)cc3)CC2)c(OC)cc1Cl ZINC001460123633 1067559725 /nfs/dbraw/zinc/55/97/25/1067559725.db2.gz AJEQNZAITQJVIT-UHFFFAOYSA-N 0 0 455.357 4.996 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460125866 1067560142 /nfs/dbraw/zinc/56/01/42/1067560142.db2.gz SIBLPINFNJJDAP-PBHICJAKSA-N 0 0 452.420 4.996 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001460134053 1067561523 /nfs/dbraw/zinc/56/15/23/1067561523.db2.gz YCMBONVMWKXFBZ-QGZVFWFLSA-N 0 0 454.233 4.920 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2cccc(F)c2)CCS1 ZINC001546114102 1067561617 /nfs/dbraw/zinc/56/16/17/1067561617.db2.gz VQHRFTYFQHCFNW-GOSISDBHSA-N 0 0 498.628 4.644 20 0 JJADRN CC(C)Oc1cccc(CNC(=O)CN2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001460135930 1067562081 /nfs/dbraw/zinc/56/20/81/1067562081.db2.gz DKYHFPFKBUHCNS-VGOFRKELSA-N 0 0 450.501 4.571 20 0 JJADRN CC(C)(CNC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1)C1CCC1 ZINC001460142557 1067563571 /nfs/dbraw/zinc/56/35/71/1067563571.db2.gz UWJAIORAQBJPFO-UHFFFAOYSA-N 0 0 450.608 4.881 20 0 JJADRN CC(=O)N1CCC(N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2cncs2)CC1 ZINC001460144270 1067563906 /nfs/dbraw/zinc/56/39/06/1067563906.db2.gz JDOCJIBCEUSWGH-UHFFFAOYSA-N 0 0 456.656 4.842 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001460148495 1067565427 /nfs/dbraw/zinc/56/54/27/1067565427.db2.gz FLVVXIRFZHYMPD-QFBILLFUSA-N 0 0 453.421 4.924 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001460151297 1067565591 /nfs/dbraw/zinc/56/55/91/1067565591.db2.gz IQCTUNKHSBMDQQ-XJKCOSOUSA-N 0 0 451.017 4.957 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2c(F)ccc(C)c2Br)cc1OC ZINC001460150628 1067565597 /nfs/dbraw/zinc/56/55/97/1067565597.db2.gz JCTDGJBBXOTXBZ-UHFFFAOYSA-N 0 0 454.336 4.675 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2C(C)C)CCS1 ZINC001546114215 1067565688 /nfs/dbraw/zinc/56/56/88/1067565688.db2.gz ZSYFBATZSCZSLN-UHFFFAOYSA-N 0 0 485.698 4.829 20 0 JJADRN Cc1ccc(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC001460151645 1067565695 /nfs/dbraw/zinc/56/56/95/1067565695.db2.gz GVAJMYBPVZOUBL-UHFFFAOYSA-N 0 0 458.599 4.595 20 0 JJADRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001460158687 1067567189 /nfs/dbraw/zinc/56/71/89/1067567189.db2.gz KYOCHAGMYUBUEH-NRFANRHFSA-N 0 0 450.963 4.535 20 0 JJADRN Cc1cccc(C)c1-n1nnnc1CN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001460168187 1067568204 /nfs/dbraw/zinc/56/82/04/1067568204.db2.gz GIQAOEJZDQGYSL-QHCPKHFHSA-N 0 0 453.034 4.665 20 0 JJADRN NC(=O)c1cccc(CN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C2CC2)c1 ZINC001460167138 1067568370 /nfs/dbraw/zinc/56/83/70/1067568370.db2.gz QUFTXQANMCPJEU-UHFFFAOYSA-N 0 0 459.493 4.656 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1 ZINC001460170505 1067569265 /nfs/dbraw/zinc/56/92/65/1067569265.db2.gz XDLDBIHQZMTUNK-KRWDZBQOSA-N 0 0 455.505 4.516 20 0 JJADRN C[C@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(Br)cc1OCCCO ZINC001460169544 1067569309 /nfs/dbraw/zinc/56/93/09/1067569309.db2.gz AKVCUSMERFTIPR-INIZCTEOSA-N 0 0 457.368 4.653 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCc2c(F)ccc(Br)c2C1 ZINC001460169703 1067569317 /nfs/dbraw/zinc/56/93/17/1067569317.db2.gz BTCSYUSSPOHPQM-NSHDSACASA-N 0 0 456.153 4.736 20 0 JJADRN Cn1c2cc(Br)ccc2nc1CN1CCc2c(F)ccc(Br)c2C1 ZINC001460171620 1067569572 /nfs/dbraw/zinc/56/95/72/1067569572.db2.gz LEAZIHAFAXTSLF-UHFFFAOYSA-N 0 0 453.153 4.796 20 0 JJADRN Cc1ccc(C2=NN(C(=O)CN[C@H](CCO)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 ZINC001460172544 1067570058 /nfs/dbraw/zinc/57/00/58/1067570058.db2.gz ONVFYKJRAQCJGU-GGAORHGYSA-N 0 0 451.954 4.632 20 0 JJADRN COc1ccc(-c2cc3[n-]c(C[NH2+][C@@H](CCO)c4ccc(Cl)cc4)nc(=O)c3s2)cc1 ZINC001460173564 1067570127 /nfs/dbraw/zinc/57/01/27/1067570127.db2.gz SVQWAEGVTLNLGK-SFHVURJKSA-N 0 0 455.967 4.527 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC(C)(C)c1ccccn1)c1ccccc1C(F)(F)F ZINC001460175803 1067570965 /nfs/dbraw/zinc/57/09/65/1067570965.db2.gz CBSDVAHMHDAMAX-SFHVURJKSA-N 0 0 451.489 4.760 20 0 JJADRN C[C@@H](N[C@@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175593 1067571005 /nfs/dbraw/zinc/57/10/05/1067571005.db2.gz VLMWJKJOAMYOOG-ABKXIKBNSA-N 0 0 450.135 4.545 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CN(C)[C@H](CC)CO ZINC001460176442 1067571361 /nfs/dbraw/zinc/57/13/61/1067571361.db2.gz GHVVDEGSPBZYQM-CYBMUJFWSA-N 0 0 459.395 4.540 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)OC(C)(C)C ZINC001460177824 1067571886 /nfs/dbraw/zinc/57/18/86/1067571886.db2.gz BCETXHKOFPZBSL-KRWDZBQOSA-N 0 0 452.389 4.878 20 0 JJADRN CC(C)(CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1ccccn1 ZINC001460177794 1067571993 /nfs/dbraw/zinc/57/19/93/1067571993.db2.gz NSIDBHOBUBAPOK-UHFFFAOYSA-N 0 0 458.271 4.696 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(c2ccc(Br)cc2)C2CC2)c1 ZINC001460179761 1067572263 /nfs/dbraw/zinc/57/22/63/1067572263.db2.gz CAHBRQRJMRQMRE-UHFFFAOYSA-N 0 0 453.130 4.807 20 0 JJADRN O=C(CN1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179401 1067572343 /nfs/dbraw/zinc/57/23/43/1067572343.db2.gz NENGCMQIWWSWJR-YKSBVNFPSA-N 0 0 453.380 4.986 20 0 JJADRN C[C@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccc(N2CCCNC2=O)cc1 ZINC001460180754 1067572644 /nfs/dbraw/zinc/57/26/44/1067572644.db2.gz KGRHFNUCEQFTCN-HNNXBMFYSA-N 0 0 455.356 4.875 20 0 JJADRN O=C(Nc1nc2cc(Br)ccn2n1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001460180847 1067572771 /nfs/dbraw/zinc/57/27/71/1067572771.db2.gz FTZBAQIMDSLXQS-UHFFFAOYSA-N 0 0 459.250 4.601 20 0 JJADRN CC[C@H](c1ccccc1OC)N(C)CC(=O)Nc1ccc(I)cc1C ZINC001460181450 1067573102 /nfs/dbraw/zinc/57/31/02/1067573102.db2.gz HMIABXJQAOZTIF-GOSISDBHSA-N 0 0 452.336 4.630 20 0 JJADRN Cc1noc(-c2ccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)cn2)n1 ZINC001460187521 1067574957 /nfs/dbraw/zinc/57/49/57/1067574957.db2.gz NIBOCFMVDRARQV-UHFFFAOYSA-N 0 0 456.325 4.507 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460191448 1067575350 /nfs/dbraw/zinc/57/53/50/1067575350.db2.gz XJRNMAOCOFWLRP-AVRDEDQJSA-N 0 0 457.398 4.931 20 0 JJADRN CCOc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192052 1067575559 /nfs/dbraw/zinc/57/55/59/1067575559.db2.gz CJKWBESGQYBNAN-MHECFPHRSA-N 0 0 459.993 4.752 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001460192735 1067575601 /nfs/dbraw/zinc/57/56/01/1067575601.db2.gz BGVTYQZLJSZQPC-LJQANCHMSA-N 0 0 458.864 4.568 20 0 JJADRN Cc1cccn2cc(COc3ccc(C(=O)NCCOc4ccc(F)c(Cl)c4)cc3)nc12 ZINC001460202254 1067578114 /nfs/dbraw/zinc/57/81/14/1067578114.db2.gz FTDGYITVHPTGCH-UHFFFAOYSA-N 0 0 453.901 4.823 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C[C@H]1C ZINC001460203678 1067578301 /nfs/dbraw/zinc/57/83/01/1067578301.db2.gz MYBRUKYOQHQDPC-RVKKMQEKSA-N 0 0 457.621 4.569 20 0 JJADRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201535 1067578344 /nfs/dbraw/zinc/57/83/44/1067578344.db2.gz ZHHVGPXBTHLIAE-SIKLNZKXSA-N 0 0 455.599 4.866 20 0 JJADRN CCc1ccc(N(CC2CC2)C(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC001460206043 1067578537 /nfs/dbraw/zinc/57/85/37/1067578537.db2.gz IXLLBOCQVKEOEE-UHFFFAOYSA-N 0 0 454.368 4.555 20 0 JJADRN CC(C)[C@H](C(=O)N1CC[C@H](c2cccc(Br)c2)C1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001460207834 1067579264 /nfs/dbraw/zinc/57/92/64/1067579264.db2.gz BCLZANQNNQLPHZ-AYBZRNKSSA-N 0 0 453.421 4.950 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)NCC3(c4ccccc4Br)CCCCC3)ccc21 ZINC001460207478 1067579275 /nfs/dbraw/zinc/57/92/75/1067579275.db2.gz RITZKZNLNZTNKK-UHFFFAOYSA-N 0 0 455.396 4.990 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460207159 1067579358 /nfs/dbraw/zinc/57/93/58/1067579358.db2.gz IQFUNAXNCVIQJT-WQFQCULDSA-N 0 0 477.527 4.814 20 0 JJADRN CCOc1cccc(Cl)c1CN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001460211797 1067580444 /nfs/dbraw/zinc/58/04/44/1067580444.db2.gz ZBKKENNHCDNDGC-FGZHOGPDSA-N 0 0 461.002 4.721 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sccc2C)CCS1 ZINC001546114679 1067580752 /nfs/dbraw/zinc/58/07/52/1067580752.db2.gz BNJSUBMYHVVMAO-QHCPKHFHSA-N 0 0 464.701 4.849 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC=CO2)CCS1 ZINC001546114709 1067581637 /nfs/dbraw/zinc/58/16/37/1067581637.db2.gz CRMBBJPVYMEIBP-INIZCTEOSA-N 0 0 466.449 4.840 20 0 JJADRN CO[C@@](C)(CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)c1ccccc1 ZINC001460219924 1067582705 /nfs/dbraw/zinc/58/27/05/1067582705.db2.gz YZRIQPYASPVEBZ-IBGZPJMESA-N 0 0 455.292 4.500 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N(C)C[C@@H]2OCCc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001460219846 1067582719 /nfs/dbraw/zinc/58/27/19/1067582719.db2.gz YGOCNUFXIVKTMX-APTRMMRNSA-N 0 0 458.961 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460219677 1067582835 /nfs/dbraw/zinc/58/28/35/1067582835.db2.gz FOQRGCPIDZCVIC-MAUKXSAKSA-N 0 0 456.505 4.737 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)CCOC)CCS1 ZINC001546114817 1067583449 /nfs/dbraw/zinc/58/34/49/1067583449.db2.gz HSYIXILCGUMBSI-NRFANRHFSA-N 0 0 497.503 4.607 20 0 JJADRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1ccccc1[S@@](=O)C(F)(F)F ZINC001460228364 1067584557 /nfs/dbraw/zinc/58/45/57/1067584557.db2.gz SDSCNBQYRDJHGK-WHDAMIPWSA-N 0 0 450.251 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC001460231184 1067585307 /nfs/dbraw/zinc/58/53/07/1067585307.db2.gz JUTZKQNLXAFHDK-WOJBJXKFSA-N 0 0 451.007 4.588 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Cl)cn2)CCS1 ZINC001546114888 1067585643 /nfs/dbraw/zinc/58/56/43/1067585643.db2.gz JWLMHPVYDJTNED-UHFFFAOYSA-N 0 0 466.442 4.656 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)C(C)(C)C)CCS1 ZINC001546114932 1067585809 /nfs/dbraw/zinc/58/58/09/1067585809.db2.gz LNCJSRACYIFOSI-HXUWFJFHSA-N 0 0 460.644 4.847 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CCS1 ZINC001546114924 1067585957 /nfs/dbraw/zinc/58/59/57/1067585957.db2.gz LAMCPUULVRZWCB-INIZCTEOSA-N 0 0 471.454 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001460233800 1067586172 /nfs/dbraw/zinc/58/61/72/1067586172.db2.gz ULGOAFJAWXMBDD-TZIWHRDSSA-N 0 0 480.540 4.646 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CCS1 ZINC001546114951 1067586313 /nfs/dbraw/zinc/58/63/13/1067586313.db2.gz LZUJBTKJWNUJPL-FQEVSTJZSA-N 0 0 453.077 4.579 20 0 JJADRN CC(C)c1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc(=O)[nH]1 ZINC001460234752 1067586615 /nfs/dbraw/zinc/58/66/15/1067586615.db2.gz VYVQACYVOMIIGT-TZIWHRDSSA-N 0 0 471.573 4.820 20 0 JJADRN CC(C)CNC(=O)c1cccc(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460234707 1067586667 /nfs/dbraw/zinc/58/66/67/1067586667.db2.gz PLIKSDNIJRVUSC-BJKOFHAPSA-N 0 0 469.601 4.704 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCS1 ZINC001546114983 1067586874 /nfs/dbraw/zinc/58/68/74/1067586874.db2.gz NBXAIBOCBZRVHB-KRWDZBQOSA-N 0 0 483.103 4.535 20 0 JJADRN O=C(CN1CCC[C@@H](N2CCCC2=O)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460237441 1067587936 /nfs/dbraw/zinc/58/79/36/1067587936.db2.gz BFRUITYKUHKXEL-LLVKDONJSA-N 0 0 453.197 4.716 20 0 JJADRN Cc1cc(C)c(NC(=O)CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001460242993 1067589576 /nfs/dbraw/zinc/58/95/76/1067589576.db2.gz VMANPWWFQRBOCJ-RBBKRZOGSA-N 0 0 455.574 4.682 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001460243121 1067589580 /nfs/dbraw/zinc/58/95/80/1067589580.db2.gz VGDGARUUOITCBF-VAXXYWNWSA-N 0 0 450.645 4.593 20 0 JJADRN CCOCCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)cc1 ZINC001460246400 1067590334 /nfs/dbraw/zinc/59/03/34/1067590334.db2.gz UFAZPHLHUBBFNA-UHFFFAOYSA-N 0 0 458.986 4.540 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Br)cc3)n2CCc2cn[nH]c2)CCS1 ZINC001546115038 1067590351 /nfs/dbraw/zinc/59/03/51/1067590351.db2.gz PJMDFKBMGIDOCN-UHFFFAOYSA-N 0 0 475.460 4.785 20 0 JJADRN CC1CCC(N(C(=O)CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001460245169 1067590375 /nfs/dbraw/zinc/59/03/75/1067590375.db2.gz ZNGYANYKILODTC-IDMMRLHFSA-N 0 0 473.633 4.688 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)CCS1 ZINC001546115054 1067591634 /nfs/dbraw/zinc/59/16/34/1067591634.db2.gz QACHNHURVCTCPA-UHFFFAOYSA-N 0 0 479.075 4.927 20 0 JJADRN CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001460254051 1067592004 /nfs/dbraw/zinc/59/20/04/1067592004.db2.gz YBLPIBDOAOGBEF-UHFFFAOYSA-N 0 0 453.370 4.699 20 0 JJADRN O=C(N1CC[C@@H](Cc2cccc(I)c2)C1)C(F)(F)c1ccc(F)cc1 ZINC001460256069 1067592171 /nfs/dbraw/zinc/59/21/71/1067592171.db2.gz YQSWYWIQQDYXMN-AWEZNQCLSA-N 0 0 459.249 4.613 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(CS(C)(=O)=O)cc2)CCS1 ZINC001546115078 1067592231 /nfs/dbraw/zinc/59/22/31/1067592231.db2.gz QSNVKXFSQZMQSI-UHFFFAOYSA-N 0 0 488.679 4.551 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnc2C)CCS1 ZINC001546115111 1067592552 /nfs/dbraw/zinc/59/25/52/1067592552.db2.gz SJSBZEOMMLEVPY-UHFFFAOYSA-N 0 0 492.491 4.743 20 0 JJADRN CC(=O)c1nc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)sc1C ZINC001460260556 1067592942 /nfs/dbraw/zinc/59/29/42/1067592942.db2.gz DXYBJBSFRHWISU-UHFFFAOYSA-N 0 0 459.369 4.733 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)ncc1I ZINC001460265221 1067593582 /nfs/dbraw/zinc/59/35/82/1067593582.db2.gz ZXOGKSBQKXNNHI-JTQLQIEISA-N 0 0 455.346 4.724 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cc(Br)cnc2C)c1 ZINC001460263980 1067593623 /nfs/dbraw/zinc/59/36/23/1067593623.db2.gz SEHBYXWKJDMSFX-UHFFFAOYSA-N 0 0 451.214 4.693 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)C3(c4ccc(I)cc4)CC3)ccc21 ZINC001460270616 1067594543 /nfs/dbraw/zinc/59/45/43/1067594543.db2.gz BQSGGJGZORVSFL-UHFFFAOYSA-N 0 0 457.315 4.576 20 0 JJADRN O=C(OCc1ccc(OC(F)F)c(Br)c1)c1ccc(OCC(F)(F)F)nc1 ZINC001460271569 1067594845 /nfs/dbraw/zinc/59/48/45/1067594845.db2.gz MQGNFKAXRHFRLT-UHFFFAOYSA-N 0 0 456.161 4.744 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC001460272255 1067594956 /nfs/dbraw/zinc/59/49/56/1067594956.db2.gz NQLJSXVIANPVEN-FQEVSTJZSA-N 0 0 457.361 4.851 20 0 JJADRN Cn1cc([C@@H]2CN(Cc3cc4cc(Cl)ccc4nc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275676 1067595622 /nfs/dbraw/zinc/59/56/22/1067595622.db2.gz OMFQFMBRZHJXLY-AZUAARDMSA-N 0 0 476.408 4.768 20 0 JJADRN CC(=O)N(c1nc(CN2CCO[C@]3(CCSC3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460275030 1067595795 /nfs/dbraw/zinc/59/57/95/1067595795.db2.gz GVYJAXHIWINYSJ-LJQANCHMSA-N 0 0 457.543 4.554 20 0 JJADRN CCCCCCN(C(=O)CN1CCO[C@@]2(CCSC2)C1)c1nc(-c2ccccc2)cs1 ZINC001460280006 1067597038 /nfs/dbraw/zinc/59/70/38/1067597038.db2.gz XYZAEVZENYRKGN-DEOSSOPVSA-N 0 0 459.681 4.931 20 0 JJADRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001460281894 1067597934 /nfs/dbraw/zinc/59/79/34/1067597934.db2.gz ZRRDGGDJWGRRAI-SNVBAGLBSA-N 0 0 459.484 4.924 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc(OC)cc2OC2CCCC2)sc1C(F)(F)F ZINC001460285476 1067598677 /nfs/dbraw/zinc/59/86/77/1067598677.db2.gz WRQGGWZVOBYJNU-UHFFFAOYSA-N 0 0 458.458 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460287329 1067599229 /nfs/dbraw/zinc/59/92/29/1067599229.db2.gz PMQRDHAQJOQLEF-YTQUADARSA-N 0 0 451.405 4.534 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3C)n2CC[C@@H](C(F)F)N2CCOCC2)CCS1 ZINC001546115279 1067599282 /nfs/dbraw/zinc/59/92/82/1067599282.db2.gz YPHOFEADQQABQX-NRFANRHFSA-N 0 0 493.668 4.722 20 0 JJADRN C[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC001460287986 1067599285 /nfs/dbraw/zinc/59/92/85/1067599285.db2.gz ZUHPCMZCBKPJSY-HNNXBMFYSA-N 0 0 456.949 4.818 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC001460288088 1067599322 /nfs/dbraw/zinc/59/93/22/1067599322.db2.gz UQVSYCMMUGEPAC-UHFFFAOYSA-N 0 0 456.486 4.776 20 0 JJADRN COc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc(OC)c1OCc1ccccc1 ZINC001460289095 1067599651 /nfs/dbraw/zinc/59/96/51/1067599651.db2.gz ZQJNINPRBSAKSO-GOSISDBHSA-N 0 0 452.454 4.773 20 0 JJADRN COc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1Br ZINC001460288908 1067599695 /nfs/dbraw/zinc/59/96/95/1067599695.db2.gz XVLRRMJFDRYGOE-CQSZACIVSA-N 0 0 453.174 4.925 20 0 JJADRN Cc1ccc(NC(=O)CN(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001460305232 1067603299 /nfs/dbraw/zinc/60/32/99/1067603299.db2.gz PBEGJHOTAZLXMT-UHFFFAOYSA-N 0 0 452.599 4.539 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 ZINC001460307567 1067604355 /nfs/dbraw/zinc/60/43/55/1067604355.db2.gz KZDXDQGPPATCDL-UHFFFAOYSA-N 0 0 455.558 4.553 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)ccc1F ZINC001460311407 1067605091 /nfs/dbraw/zinc/60/50/91/1067605091.db2.gz JRSXHYKACVFTKY-QFIPXVFZSA-N 0 0 454.995 4.553 20 0 JJADRN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315305 1067605789 /nfs/dbraw/zinc/60/57/89/1067605789.db2.gz ZHIPUCGJGIPVMY-INIZCTEOSA-N 0 0 459.537 4.604 20 0 JJADRN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 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KXAQFBNPRPBSNN-LIRRHRJNSA-N 0 0 459.999 4.654 20 0 JJADRN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC001460322290 1067608063 /nfs/dbraw/zinc/60/80/63/1067608063.db2.gz SXJFGRWMURURHB-VGOFRKELSA-N 0 0 458.004 4.861 20 0 JJADRN CC1(C)C[C@@](C)(NC[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C(=O)O1 ZINC001460328445 1067609390 /nfs/dbraw/zinc/60/93/90/1067609390.db2.gz UNTIWNMTZNYOBD-WMZHIEFXSA-N 0 0 452.378 4.534 20 0 JJADRN CC1(C)C[C@](C)(NC[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C(=O)O1 ZINC001460328446 1067609405 /nfs/dbraw/zinc/60/94/05/1067609405.db2.gz UNTIWNMTZNYOBD-XXBNENTESA-N 0 0 452.378 4.534 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC001460328199 1067609473 /nfs/dbraw/zinc/60/94/73/1067609473.db2.gz XEJAGBLLMNNAAL-KOSHJBKYSA-N 0 0 459.521 4.560 20 0 JJADRN O=C(NCCc1cccc(C(F)(F)F)n1)c1c(Br)cccc1Br ZINC001460328900 1067609935 /nfs/dbraw/zinc/60/99/35/1067609935.db2.gz BBBTUTVMTMNPJG-UHFFFAOYSA-N 0 0 452.068 4.598 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CC[C@@]2(CC2(F)F)C1 ZINC001460332820 1067609960 /nfs/dbraw/zinc/60/99/60/1067609960.db2.gz KZBXLCMRXHJCNX-HXUWFJFHSA-N 0 0 454.926 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC001460333396 1067610328 /nfs/dbraw/zinc/61/03/28/1067610328.db2.gz QMJLYDNLQSRJKJ-JQHSSLGASA-N 0 0 455.521 4.717 20 0 JJADRN CC[C@H](C)n1nc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)cc1C ZINC001460337459 1067610856 /nfs/dbraw/zinc/61/08/56/1067610856.db2.gz CIDKIPJJCHVOIV-AWEZNQCLSA-N 0 0 452.368 4.586 20 0 JJADRN CC[C@@H](C)n1nc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)cc1C ZINC001460337464 1067610960 /nfs/dbraw/zinc/61/09/60/1067610960.db2.gz CIDKIPJJCHVOIV-CQSZACIVSA-N 0 0 452.368 4.586 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001460339624 1067611488 /nfs/dbraw/zinc/61/14/88/1067611488.db2.gz HQZPVIXDIWBSKM-KURKYZTESA-N 0 0 478.939 4.764 20 0 JJADRN 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1067613784 /nfs/dbraw/zinc/61/37/84/1067613784.db2.gz CTEIHQFKHAKQIA-UHFFFAOYSA-N 0 0 455.586 4.518 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC001460349108 1067614296 /nfs/dbraw/zinc/61/42/96/1067614296.db2.gz NVYMAVOUPRWXIQ-OAHLLOKOSA-N 0 0 456.942 4.720 20 0 JJADRN COc1ccc(CN2CCn3c(Cc4ccccc4F)nnc3C2)cc1SC(F)(F)F ZINC001460350023 1067614498 /nfs/dbraw/zinc/61/44/98/1067614498.db2.gz AWWCRJMQKXBAQK-UHFFFAOYSA-N 0 0 452.477 4.644 20 0 JJADRN CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001460352794 1067615097 /nfs/dbraw/zinc/61/50/97/1067615097.db2.gz LNIINVBSRUVBFC-OAQYLSRUSA-N 0 0 459.384 4.764 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Br)cc2)CC1 ZINC001460355475 1067615789 /nfs/dbraw/zinc/61/57/89/1067615789.db2.gz HUECLEMJFWVLHQ-ZDUSSCGKSA-N 0 0 457.199 4.905 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001460355197 1067615838 /nfs/dbraw/zinc/61/58/38/1067615838.db2.gz BDXCLRSIGDZQHQ-KEDPEKRHSA-N 0 0 459.736 4.944 20 0 JJADRN CN(C)[C@H](C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1c(F)cccc1Cl ZINC001460357417 1067616883 /nfs/dbraw/zinc/61/68/83/1067616883.db2.gz JNRRSLOMNPFIQM-SFHVURJKSA-N 0 0 451.727 4.669 20 0 JJADRN O=C(CCN1CCOC[C@H]1c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001460358595 1067617391 /nfs/dbraw/zinc/61/73/91/1067617391.db2.gz DWOLMNDHFFZNTC-SFHVURJKSA-N 0 0 457.290 4.870 20 0 JJADRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001460359478 1067617806 /nfs/dbraw/zinc/61/78/06/1067617806.db2.gz YQNDVYPLAXHBBZ-UKDVSSAZSA-N 0 0 477.605 4.568 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCN1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001460359081 1067617817 /nfs/dbraw/zinc/61/78/17/1067617817.db2.gz GUJTTXHQJVMZRP-GOSISDBHSA-N 0 0 453.764 4.513 20 0 JJADRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001460359480 1067617846 /nfs/dbraw/zinc/61/78/46/1067617846.db2.gz YQNDVYPLAXHBBZ-WVQWTBLQSA-N 0 0 477.605 4.568 20 0 JJADRN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001460365596 1067619038 /nfs/dbraw/zinc/61/90/38/1067619038.db2.gz WCCPZVXPVPNYLK-INIZCTEOSA-N 0 0 450.193 4.862 20 0 JJADRN CCOC(=O)C1=C(CN[C@H](c2ccccc2F)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460366385 1067619444 /nfs/dbraw/zinc/61/94/44/1067619444.db2.gz WFQFEMZPQNBQOU-FCHUYYIVSA-N 0 0 459.949 4.637 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)CC1=O ZINC001460372014 1067620545 /nfs/dbraw/zinc/62/05/45/1067620545.db2.gz GRNDGEGXTYKZIS-FPOVZHCZSA-N 0 0 452.570 4.600 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccccc2OCc2cccs2)C1=O ZINC001460373967 1067620893 /nfs/dbraw/zinc/62/08/93/1067620893.db2.gz JOXJQIKCGNBYIP-VGOFRKELSA-N 0 0 452.551 4.948 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N(C)CC(=O)NC(c3ccccc3)c3ccccc3)cc2c1 ZINC001460379314 1067622168 /nfs/dbraw/zinc/62/21/68/1067622168.db2.gz GWGUHOZXWZHOMN-UHFFFAOYSA-N 0 0 453.542 4.530 20 0 JJADRN COc1ccc(Br)c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 ZINC001460385056 1067623372 /nfs/dbraw/zinc/62/33/72/1067623372.db2.gz QNEXMNPXGFCVCG-UHFFFAOYSA-N 0 0 452.370 4.816 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1sc(C)cc1Br ZINC001460386554 1067623827 /nfs/dbraw/zinc/62/38/27/1067623827.db2.gz XKEHUJZXKNKKMI-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)ccc1F ZINC001460391339 1067624933 /nfs/dbraw/zinc/62/49/33/1067624933.db2.gz WVUNOCXHBOFVBS-IBGZPJMESA-N 0 0 454.567 4.916 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC(C)C)CCS1 ZINC001546116016 1067626554 /nfs/dbraw/zinc/62/65/54/1067626554.db2.gz DPYFTKYFOHROJX-UHFFFAOYSA-N 0 0 466.655 4.930 20 0 JJADRN COc1ccccc1-c1nnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1 ZINC001460400635 1067626835 /nfs/dbraw/zinc/62/68/35/1067626835.db2.gz ADKSZTKGKQEUNF-TZIWHRDSSA-N 0 0 464.566 4.628 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CSC)cc2)CCS1 ZINC001546116025 1067627845 /nfs/dbraw/zinc/62/78/45/1067627845.db2.gz DTZYHYYZEYRSQC-UHFFFAOYSA-N 0 0 456.685 4.702 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)O[C@@H](c3cccc(Br)n3)C(F)(F)F)c2)cn1 ZINC001460408097 1067629087 /nfs/dbraw/zinc/62/90/87/1067629087.db2.gz WZXTZPSFGICZBJ-INIZCTEOSA-N 0 0 458.209 4.844 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411257 1067629833 /nfs/dbraw/zinc/62/98/33/1067629833.db2.gz QRAKKLSQHKXAGQ-RXVVDRJESA-N 0 0 459.631 4.764 20 0 JJADRN CC1(C)C[C@@H](N(CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412610 1067630134 /nfs/dbraw/zinc/63/01/34/1067630134.db2.gz DLZRQFRQBSFPPX-MRXNPFEDSA-N 0 0 453.327 4.736 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)NCCc3cc4ccccc4s3)cc2)cc1 ZINC001460414075 1067630736 /nfs/dbraw/zinc/63/07/36/1067630736.db2.gz GQKZJXTWMWLSRK-UHFFFAOYSA-N 0 0 458.583 4.741 20 0 JJADRN C[C@]12CCN([C@H]3CCCN(c4ccccc4Cl)C3=O)C[C@H]1C2(Br)Br ZINC001460414801 1067630768 /nfs/dbraw/zinc/63/07/68/1067630768.db2.gz DZYRFSJQKMWLJJ-UXLLHSPISA-N 0 0 476.640 4.663 20 0 JJADRN COc1cccc([C@]2(C)CCN(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426386 1067632711 /nfs/dbraw/zinc/63/27/11/1067632711.db2.gz LKBLYDCRNCLUJV-HXUWFJFHSA-N 0 0 451.880 4.507 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2ccc(F)cc2Cl)c1 ZINC001460426750 1067632824 /nfs/dbraw/zinc/63/28/24/1067632824.db2.gz YMMKEGZBKLHIPP-JLTOFOAXSA-N 0 0 450.938 4.801 20 0 JJADRN NC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1ccccc1 ZINC001460431308 1067633638 /nfs/dbraw/zinc/63/36/38/1067633638.db2.gz RPEZXFONPOUMCS-IBGZPJMESA-N 0 0 457.299 4.727 20 0 JJADRN Cc1cc(C(=O)N2CCOc3cc(F)c(Br)cc32)nn1-c1ccccc1Cl ZINC001460435949 1067634464 /nfs/dbraw/zinc/63/44/64/1067634464.db2.gz SMWBHQSUHLSDQY-UHFFFAOYSA-N 0 0 450.695 4.775 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@@H]3c4cccc(Br)c4CC3(C)C)CC2=O)ccc1F ZINC001460440987 1067635459 /nfs/dbraw/zinc/63/54/59/1067635459.db2.gz AQFIZJSPJUUOCR-LHSJRXKWSA-N 0 0 459.359 4.689 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC001460438657 1067635473 /nfs/dbraw/zinc/63/54/73/1067635473.db2.gz AABYEBULCTZKQZ-LJQANCHMSA-N 0 0 458.883 4.966 20 0 JJADRN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)C(=O)c1ccc(Br)s1 ZINC001460450342 1067636915 /nfs/dbraw/zinc/63/69/15/1067636915.db2.gz HVZRCCVJTPSMCV-HNNXBMFYSA-N 0 0 457.187 4.896 20 0 JJADRN O=C(CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001460451589 1067637103 /nfs/dbraw/zinc/63/71/03/1067637103.db2.gz IBFFTAKXBKCKSR-XMSQKQJNSA-N 0 0 464.871 4.740 20 0 JJADRN C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459899 1067638019 /nfs/dbraw/zinc/63/80/19/1067638019.db2.gz QBRKNDRLBQDQJY-WWEVIYMKSA-N 0 0 454.636 4.522 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001460464002 1067639094 /nfs/dbraw/zinc/63/90/94/1067639094.db2.gz VVIQASZOEYOPNM-WIOPSUGQSA-N 0 0 455.476 4.994 20 0 JJADRN COc1ccc(Cl)cc1CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001460466423 1067639136 /nfs/dbraw/zinc/63/91/36/1067639136.db2.gz ZNMHYJGAIYDLMQ-GBXCKJPGSA-N 0 0 455.913 4.598 20 0 JJADRN CC(C)(NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1F ZINC001460469449 1067640024 /nfs/dbraw/zinc/64/00/24/1067640024.db2.gz DKFCAHVLWCEPPB-UHFFFAOYSA-N 0 0 450.539 4.869 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)c(F)c2)CCS1 ZINC001546116495 1067640572 /nfs/dbraw/zinc/64/05/72/1067640572.db2.gz XHBCCAUBPYXESZ-UHFFFAOYSA-N 0 0 455.603 4.843 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2s1 ZINC001460475214 1067640946 /nfs/dbraw/zinc/64/09/46/1067640946.db2.gz VUIKJZLVJFMUGS-IBGZPJMESA-N 0 0 454.548 4.968 20 0 JJADRN CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC001460477563 1067641406 /nfs/dbraw/zinc/64/14/06/1067641406.db2.gz FLTWQAXZMXUDFQ-UHFFFAOYSA-N 0 0 451.748 4.572 20 0 JJADRN Cc1scc(C(=O)Nc2ncc(Br)c(C)c2I)c1C ZINC001460477847 1067641822 /nfs/dbraw/zinc/64/18/22/1067641822.db2.gz LCUMZVGAAIGQBO-UHFFFAOYSA-N 0 0 451.127 4.688 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)nc21 ZINC001460485669 1067643705 /nfs/dbraw/zinc/64/37/05/1067643705.db2.gz NMKDYFIIGXPTIH-MRXNPFEDSA-N 0 0 458.580 4.594 20 0 JJADRN CC(C)(C)CN(CC(=O)OC(C)(C)C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC001460497048 1067645138 /nfs/dbraw/zinc/64/51/38/1067645138.db2.gz UFSCGTNYCAAVGE-DEOSSOPVSA-N 0 0 456.652 4.912 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001460498142 1067645181 /nfs/dbraw/zinc/64/51/81/1067645181.db2.gz BZLLRGDVCZLQIL-NRFANRHFSA-N 0 0 450.318 4.633 20 0 JJADRN O=C(Nc1nccc2cc(Br)ccc21)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001460500647 1067645817 /nfs/dbraw/zinc/64/58/17/1067645817.db2.gz GEPNKRSZAOXPGQ-UHFFFAOYSA-N 0 0 458.209 4.924 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H]2c2ccc(Br)cc2)cc1OC ZINC001460506535 1067646169 /nfs/dbraw/zinc/64/61/69/1067646169.db2.gz IXWMCEQYUAFGCD-UXHICEINSA-N 0 0 459.384 4.577 20 0 JJADRN Cc1ccc(N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(Br)c1 ZINC001460506176 1067646176 /nfs/dbraw/zinc/64/61/76/1067646176.db2.gz QLUBWNGKPJAMBC-ZDUSSCGKSA-N 0 0 452.146 4.609 20 0 JJADRN Cc1ccc(N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c(Br)c1 ZINC001460506172 1067646183 /nfs/dbraw/zinc/64/61/83/1067646183.db2.gz QLUBWNGKPJAMBC-CYBMUJFWSA-N 0 0 452.146 4.609 20 0 JJADRN Cc1sc2[nH]c(CN3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC001460510458 1067646645 /nfs/dbraw/zinc/64/66/45/1067646645.db2.gz AUISPKYRBMIVPK-CJNGLKHVSA-N 0 0 478.540 4.570 20 0 JJADRN Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3C)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC001460515017 1067647599 /nfs/dbraw/zinc/64/75/99/1067647599.db2.gz FKEYZBSFWCQNEV-UHFFFAOYSA-N 0 0 458.599 4.683 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCCC34CCCC4)c2)cc1 ZINC001460526122 1067650220 /nfs/dbraw/zinc/65/02/20/1067650220.db2.gz FPPXFIULAMVPPD-HSZRJFAPSA-N 0 0 456.608 4.753 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC001460527556 1067650791 /nfs/dbraw/zinc/65/07/91/1067650791.db2.gz MRYHUDAHKPFYRA-UHFFFAOYSA-N 0 0 451.737 4.524 20 0 JJADRN COc1ccc(C2(C(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)CCC2)cc1OC ZINC001460528119 1067651185 /nfs/dbraw/zinc/65/11/85/1067651185.db2.gz VHXPTQCWOUGYSX-UHFFFAOYSA-N 0 0 451.350 4.577 20 0 JJADRN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001460530799 1067651732 /nfs/dbraw/zinc/65/17/32/1067651732.db2.gz HPSSDTJXWVOGLP-CPFSXVBKSA-N 0 0 454.649 4.533 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)Nc1ccc(Br)c(C2CC2)n1 ZINC001460546188 1067654356 /nfs/dbraw/zinc/65/43/56/1067654356.db2.gz OXCWGDQXGWBXJI-YWEYNIOJSA-N 0 0 459.081 4.571 20 0 JJADRN O=C(OCc1ccc(OC(F)F)c(F)c1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001460549482 1067654671 /nfs/dbraw/zinc/65/46/71/1067654671.db2.gz IFCUSDPBYOJRCN-UHFFFAOYSA-N 0 0 450.434 4.758 20 0 JJADRN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC001460566633 1067657720 /nfs/dbraw/zinc/65/77/20/1067657720.db2.gz LCDAEENEDXDHGV-GKVSMKOHSA-N 0 0 469.607 4.689 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)Cc2ccccc21 ZINC001460574263 1067659132 /nfs/dbraw/zinc/65/91/32/1067659132.db2.gz ZNIDMDMFHZJDKD-OAQYLSRUSA-N 0 0 450.922 4.843 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cc1 ZINC001460577845 1067659654 /nfs/dbraw/zinc/65/96/54/1067659654.db2.gz NCRRNOASHMFILI-UHFFFAOYSA-N 0 0 456.391 4.572 20 0 JJADRN COCCOc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC001460579885 1067660273 /nfs/dbraw/zinc/66/02/73/1067660273.db2.gz HXALBANPWMRMNT-GOSISDBHSA-N 0 0 450.510 4.903 20 0 JJADRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C)c(F)cc3C(=O)N[C@@H](C)c3ccccc3)c12 ZINC001460579538 1067660317 /nfs/dbraw/zinc/66/03/17/1067660317.db2.gz HAEOROZNQLKLJL-INIZCTEOSA-N 0 0 459.525 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001460581238 1067660573 /nfs/dbraw/zinc/66/05/73/1067660573.db2.gz LLEKWWHEZMAYKX-QGZVFWFLSA-N 0 0 451.405 4.717 20 0 JJADRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC001460584435 1067662408 /nfs/dbraw/zinc/66/24/08/1067662408.db2.gz LZMVJHHTWPUMCM-RUZDIDTESA-N 0 0 459.525 4.997 20 0 JJADRN CCC(CC)(C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC001460590159 1067663585 /nfs/dbraw/zinc/66/35/85/1067663585.db2.gz RRIGTOUDGDADRD-CYBMUJFWSA-N 0 0 453.332 4.968 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001460588471 1067663648 /nfs/dbraw/zinc/66/36/48/1067663648.db2.gz AGIIKVXTFRVITQ-ZCYQVOJMSA-N 0 0 457.014 4.842 20 0 JJADRN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c(C(=O)NCC(F)(F)F)cc1F ZINC001460590296 1067664202 /nfs/dbraw/zinc/66/42/02/1067664202.db2.gz ODOABLZXGHIOMJ-UHFFFAOYSA-N 0 0 453.219 4.751 20 0 JJADRN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1ccc(CN2CCCC2=O)cc1 ZINC001460592938 1067664473 /nfs/dbraw/zinc/66/44/73/1067664473.db2.gz RTECNDIZVJHACL-UHFFFAOYSA-N 0 0 456.365 4.947 20 0 JJADRN O=C(NC[C@H]1CCCSC1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001460592837 1067664490 /nfs/dbraw/zinc/66/44/90/1067664490.db2.gz CMDBWWOKGDPHBK-CYBMUJFWSA-N 0 0 452.527 4.888 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)c1cc(C)c(Br)c(Cl)c1)c1cccc(OC)c1 ZINC001460596427 1067664977 /nfs/dbraw/zinc/66/49/77/1067664977.db2.gz MCYNBMVVYJVZGR-HXUWFJFHSA-N 0 0 454.748 4.628 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)CC2=O)cc1 ZINC001460596981 1067665598 /nfs/dbraw/zinc/66/55/98/1067665598.db2.gz KUWDEKMQVVKZJV-KRWDZBQOSA-N 0 0 456.468 4.835 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2F)nnn1-c1cccc2cnccc21 ZINC001460598407 1067666060 /nfs/dbraw/zinc/66/60/60/1067666060.db2.gz LIZHIHGSDIIDJF-LBPRGKRZSA-N 0 0 454.303 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604280 1067668649 /nfs/dbraw/zinc/66/86/49/1067668649.db2.gz LHUDFJNVSUNTAM-MAUKXSAKSA-N 0 0 459.812 4.875 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)O[C@H]1CCc2cc(Br)cnc21 ZINC001460603702 1067668760 /nfs/dbraw/zinc/66/87/60/1067668760.db2.gz GQIKNJYQFFJGSQ-INIZCTEOSA-N 0 0 455.146 4.996 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)OC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001460605816 1067669245 /nfs/dbraw/zinc/66/92/45/1067669245.db2.gz ZMRBPCDVPZETKS-FDDCHVKYSA-N 0 0 459.970 4.907 20 0 JJADRN COc1cc(CCC(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc(OC)c1 ZINC001460609097 1067670804 /nfs/dbraw/zinc/67/08/04/1067670804.db2.gz RXWJIDHKMMOKGG-IAGOWNOFSA-N 0 0 450.501 4.781 20 0 JJADRN COc1cc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc(OC)c1C ZINC001460611309 1067671343 /nfs/dbraw/zinc/67/13/43/1067671343.db2.gz VGRMNQHTGKUTBI-UHFFFAOYSA-N 0 0 457.573 4.819 20 0 JJADRN COc1ccc(C(N[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 ZINC001460611467 1067671352 /nfs/dbraw/zinc/67/13/52/1067671352.db2.gz SGSJWLQFZHGFOY-IBGZPJMESA-N 0 0 457.574 4.612 20 0 JJADRN CCc1nc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)nn1-c1ccccc1 ZINC001460611778 1067671704 /nfs/dbraw/zinc/67/17/04/1067671704.db2.gz ZUZRONODRLDOSY-IAGOWNOFSA-N 0 0 457.500 4.588 20 0 JJADRN O=C(Nc1cccc(Cl)c1OCC(F)F)c1cnnn1-c1ccccc1Br ZINC001460612842 1067672388 /nfs/dbraw/zinc/67/23/88/1067672388.db2.gz CUPINPZDLUQHTK-UHFFFAOYSA-N 0 0 457.662 4.579 20 0 JJADRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1occc1COc1ccccc1 ZINC001460614354 1067673022 /nfs/dbraw/zinc/67/30/22/1067673022.db2.gz TZKADTVPGINOFM-UHFFFAOYSA-N 0 0 457.408 4.943 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001460615647 1067673500 /nfs/dbraw/zinc/67/35/00/1067673500.db2.gz YRAMMYULRWGTJB-MNEFBYGVSA-N 0 0 453.505 4.935 20 0 JJADRN CCCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615249 1067673595 /nfs/dbraw/zinc/67/35/95/1067673595.db2.gz GIRFHCAITMMYFL-KRWDZBQOSA-N 0 0 458.624 4.909 20 0 JJADRN O=C(NC[C@H]1CCCS(=O)(=O)C1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001460615889 1067673623 /nfs/dbraw/zinc/67/36/23/1067673623.db2.gz IHOMACZEKWQLGY-AUUYWEPGSA-N 0 0 458.432 4.768 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(CN3CCc4cc(C)cc(Br)c4C3)s2)cc1 ZINC001460617739 1067674151 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CCCC(CCC)c1ccc(OC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC001460634157 1067680134 /nfs/dbraw/zinc/68/01/34/1067680134.db2.gz HTOZWWKSWDLACU-UHFFFAOYSA-N 0 0 459.608 4.919 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc(C)c(-c3cnn(C)c3)c2)cc1 ZINC001460634555 1067680192 /nfs/dbraw/zinc/68/01/92/1067680192.db2.gz KLYKFVXZLTUKCV-GOSISDBHSA-N 0 0 451.592 4.884 20 0 JJADRN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636555 1067680424 /nfs/dbraw/zinc/68/04/24/1067680424.db2.gz JTZNXRDSRJWLOC-XMMPIXPASA-N 0 0 455.965 4.917 20 0 JJADRN C[C@@]1(CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)OCCc2sccc21 ZINC001460636949 1067680454 /nfs/dbraw/zinc/68/04/54/1067680454.db2.gz YZCQLYPNQANFLT-INIZCTEOSA-N 0 0 452.267 4.886 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001460636158 1067680633 /nfs/dbraw/zinc/68/06/33/1067680633.db2.gz BIRNHWANJPJZTM-UHFFFAOYSA-N 0 0 451.567 4.864 20 0 JJADRN Cc1cc(NC(=O)CCOc2cccc(I)c2)nn1C1CCCCC1 ZINC001460641181 1067681973 /nfs/dbraw/zinc/68/19/73/1067681973.db2.gz ODPQDHPDDNIPNP-UHFFFAOYSA-N 0 0 453.324 4.709 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC001460640628 1067681993 /nfs/dbraw/zinc/68/19/93/1067681993.db2.gz SJCAOHUYZMKGCD-HNNXBMFYSA-N 0 0 455.498 4.959 20 0 JJADRN Cc1cc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc(N2CCCC2)n1 ZINC001460641548 1067682799 /nfs/dbraw/zinc/68/27/99/1067682799.db2.gz GZZJLAAFUHSYGX-UHFFFAOYSA-N 0 0 456.999 4.538 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)sc1Br ZINC001460645584 1067684049 /nfs/dbraw/zinc/68/40/49/1067684049.db2.gz JNJZPFPJLCSHRY-CQSZACIVSA-N 0 0 459.406 4.573 20 0 JJADRN Cc1cc(CNC(=O)c2scc(Br)c2Br)cc(N2CCCC2)n1 ZINC001460645141 1067684771 /nfs/dbraw/zinc/68/47/71/1067684771.db2.gz RIJUCTYCILLQHF-UHFFFAOYSA-N 0 0 459.207 4.507 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc(N2CCCC2)n1 ZINC001460647155 1067685284 /nfs/dbraw/zinc/68/52/84/1067685284.db2.gz VKEICHSZFJAACZ-UHFFFAOYSA-N 0 0 454.983 4.887 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ZINC001460674410 1067696689 /nfs/dbraw/zinc/69/66/89/1067696689.db2.gz OAXDIBPAKIHSAW-UHFFFAOYSA-N 0 0 453.564 4.721 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001460674610 1067696700 /nfs/dbraw/zinc/69/67/00/1067696700.db2.gz PPOXIRDXBCMGEY-UHFFFAOYSA-N 0 0 457.372 4.775 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1cccc2ccccc21 ZINC001460679036 1067698690 /nfs/dbraw/zinc/69/86/90/1067698690.db2.gz IZKWRRKZTKJQMG-RUZDIDTESA-N 0 0 459.521 4.745 20 0 JJADRN CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460680494 1067699181 /nfs/dbraw/zinc/69/91/81/1067699181.db2.gz GKUCBVRVUSFDAN-YSIASYRMSA-N 0 0 457.368 4.579 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN[C@H]2CCCn3nccc32)sc(Cl)c1-c1ccccc1 ZINC001460682252 1067700154 /nfs/dbraw/zinc/70/01/54/1067700154.db2.gz BZDVHAKUFWPFKB-HNNXBMFYSA-N 0 0 458.971 4.505 20 0 JJADRN CN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460684517 1067701042 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4.953 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3scnc3C)[C@H]2c2ccccc2OC)cc1 ZINC001460691114 1067702931 /nfs/dbraw/zinc/70/29/31/1067702931.db2.gz OOXTTYRRHKKAGT-DENIHFKCSA-N 0 0 451.548 4.592 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1 ZINC001460693821 1067703396 /nfs/dbraw/zinc/70/33/96/1067703396.db2.gz SGEVUFQIAYMIDV-UHFFFAOYSA-N 0 0 451.592 4.659 20 0 JJADRN Cc1ccc(Oc2ccccc2NC(=O)CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001460698260 1067703612 /nfs/dbraw/zinc/70/36/12/1067703612.db2.gz UGHOKFDYVWHDSC-ZJSXRUAMSA-N 0 0 458.480 4.850 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CCS1 ZINC001546118220 1067703881 /nfs/dbraw/zinc/70/38/81/1067703881.db2.gz ZWYZFAVSFUVXKV-SFHVURJKSA-N 0 0 481.588 4.603 20 0 JJADRN O=C(CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699408 1067704236 /nfs/dbraw/zinc/70/42/36/1067704236.db2.gz YZEFGMARPLMJLL-OFVILXPXSA-N 0 0 454.492 4.574 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701533 1067704278 /nfs/dbraw/zinc/70/42/78/1067704278.db2.gz JEJJVBORWUFZDO-FCHUYYIVSA-N 0 0 452.551 4.769 20 0 JJADRN CN(C(=O)CNC1(c2cc(Cl)cc(Br)c2)CC1)c1nc2ccccc2s1 ZINC001460704704 1067705300 /nfs/dbraw/zinc/70/53/00/1067705300.db2.gz VASPWFCGHVLDOP-UHFFFAOYSA-N 0 0 450.789 4.954 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cccnc3C)cc12 ZINC001460712469 1067706784 /nfs/dbraw/zinc/70/67/84/1067706784.db2.gz SYXHVEAALTUPHZ-AWEZNQCLSA-N 0 0 453.955 4.509 20 0 JJADRN Cc1ccc2sc(CN(Cc3ccccc3)CC3(O)CN(C(=O)OC(C)(C)C)C3)nc2c1 ZINC001460713411 1067706862 /nfs/dbraw/zinc/70/68/62/1067706862.db2.gz OQWHHGQVUIWHLK-UHFFFAOYSA-N 0 0 453.608 4.589 20 0 JJADRN COC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1nc(-c3ccc(Cl)cc3)c(C)s1)C2 ZINC001460716141 1067707665 /nfs/dbraw/zinc/70/76/65/1067707665.db2.gz KTWMUFXQPGJFLD-UHFFFAOYSA-N 0 0 455.967 4.555 20 0 JJADRN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)n1cc(Br)cn1 ZINC001460721225 1067708980 /nfs/dbraw/zinc/70/89/80/1067708980.db2.gz CINHJNMXHDQYRY-YVEFUNNKSA-N 0 0 450.768 4.880 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001460723750 1067709775 /nfs/dbraw/zinc/70/97/75/1067709775.db2.gz FAIGIIKPWIKNNX-MRXNPFEDSA-N 0 0 459.974 4.806 20 0 JJADRN CC(=O)N[C@H](C(=O)N1CCCc2c(Cl)cc(Cl)cc21)c1cccc(Br)c1 ZINC001460725274 1067710289 /nfs/dbraw/zinc/71/02/89/1067710289.db2.gz FRTFWEROCIJFAM-SFHVURJKSA-N 0 0 456.167 4.913 20 0 JJADRN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001460729137 1067710696 /nfs/dbraw/zinc/71/06/96/1067710696.db2.gz MFDHTVIDUQHWEO-MJGOQNOKSA-N 0 0 451.567 4.735 20 0 JJADRN O=C(c1cnnn1-c1ccccc1Br)N1CCCc2c(Cl)cc(Cl)cc21 ZINC001460728322 1067710703 /nfs/dbraw/zinc/71/07/03/1067710703.db2.gz OYKGAVNVSVJURA-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C1 ZINC001460725989 1067710837 /nfs/dbraw/zinc/71/08/37/1067710837.db2.gz HYSMTZZITWZJOO-HXUWFJFHSA-N 0 0 451.007 4.585 20 0 JJADRN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729392 1067711128 /nfs/dbraw/zinc/71/11/28/1067711128.db2.gz WWPDHNNUAODBKS-JLTOFOAXSA-N 0 0 459.812 4.703 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N2CCCc3c(F)ccc(Cl)c32)=NN1c1ccccc1 ZINC001460729669 1067711295 /nfs/dbraw/zinc/71/12/95/1067711295.db2.gz ZMCDSZIATCMVGJ-HXUWFJFHSA-N 0 0 457.933 4.735 20 0 JJADRN C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460730772 1067711318 /nfs/dbraw/zinc/71/13/18/1067711318.db2.gz ZCBAWEPKZGKXAC-CKNGIIGNSA-N 0 0 450.530 4.593 20 0 JJADRN C[C@H](CC(C)(C)C)NC(=O)CCCc1nnc(-c2ccccc2I)o1 ZINC001460731653 1067711511 /nfs/dbraw/zinc/71/15/11/1067711511.db2.gz WWTKGQSTXQVNPJ-CYBMUJFWSA-N 0 0 455.340 4.605 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN1CCN([C@@H](CC)c3ccc(F)cc3)CC1)n2CC ZINC001460731431 1067711566 /nfs/dbraw/zinc/71/15/66/1067711566.db2.gz NVOSPPCQTASDNA-QHCPKHFHSA-N 0 0 452.574 4.641 20 0 JJADRN O=C(CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)Nc1ccc(-c2ccccc2)cc1 ZINC001460736086 1067712153 /nfs/dbraw/zinc/71/21/53/1067712153.db2.gz JBHJDCLDDFCIQJ-QUPDYRNUSA-N 0 0 451.364 4.694 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460735194 1067712232 /nfs/dbraw/zinc/71/22/32/1067712232.db2.gz XOJBVFXHBPHCDI-AREMUKBSSA-N 0 0 452.618 4.914 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)C(=O)c3cnn(C(C)(C)C)c3)CC2)c1 ZINC001460739578 1067712488 /nfs/dbraw/zinc/71/24/88/1067712488.db2.gz HSIKYFWCYHVKNU-UHFFFAOYSA-N 0 0 454.571 4.574 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460738923 1067712617 /nfs/dbraw/zinc/71/26/17/1067712617.db2.gz TUPTYHLRVJGZPA-PWRODBHTSA-N 0 0 458.599 4.565 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCc4cc(F)c(F)c(F)c43)cc2)cc1 ZINC001460743006 1067713391 /nfs/dbraw/zinc/71/33/91/1067713391.db2.gz WDOXNPBFTBEVPA-UHFFFAOYSA-N 0 0 459.489 4.979 20 0 JJADRN Cc1ccc(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC001460745541 1067714374 /nfs/dbraw/zinc/71/43/74/1067714374.db2.gz RIBOWMASFCSCCK-XZOQPEGZSA-N 0 0 456.558 4.731 20 0 JJADRN Cc1ccc2oc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)cc2n1 ZINC001460746163 1067714413 /nfs/dbraw/zinc/71/44/13/1067714413.db2.gz TZVJSRUTSZBZAB-AZUAARDMSA-N 0 0 453.514 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Br)co2)CC[C@H]1c1ccc(F)cc1 ZINC001460745915 1067714424 /nfs/dbraw/zinc/71/44/24/1067714424.db2.gz TUACCQRVUAIXFC-DLBZAZTESA-N 0 0 467.335 4.704 20 0 JJADRN COc1ccc2nc(CN3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750785 1067715577 /nfs/dbraw/zinc/71/55/77/1067715577.db2.gz VASYKSNRVXQPKO-FXAWDEMLSA-N 0 0 457.619 4.652 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NCc1cc(Br)ccc1OC(F)F ZINC001460753374 1067716632 /nfs/dbraw/zinc/71/66/32/1067716632.db2.gz AYFMESRSRKKZPT-MRXNPFEDSA-N 0 0 454.267 4.671 20 0 JJADRN C[C@@H](c1ccc(COC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)cc1)C(F)(F)F ZINC001460754335 1067716919 /nfs/dbraw/zinc/71/69/19/1067716919.db2.gz CWNJDYGEXABOMH-GTNSWQLSSA-N 0 0 457.242 4.940 20 0 JJADRN O=C(CN1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754023 1067716946 /nfs/dbraw/zinc/71/69/46/1067716946.db2.gz CLCWONJAYDMNNE-MRXNPFEDSA-N 0 0 453.464 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(Cn3ccnc3)c2)C1 ZINC001460755257 1067717212 /nfs/dbraw/zinc/71/72/12/1067717212.db2.gz ANMWNXICNUFMCK-PKTZIBPZSA-N 0 0 452.599 4.573 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(C)c(C)n3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460757789 1067717636 /nfs/dbraw/zinc/71/76/36/1067717636.db2.gz UUYJEOWQOJWIBV-AHKZPQOWSA-N 0 0 457.574 4.816 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460758124 1067718172 /nfs/dbraw/zinc/71/81/72/1067718172.db2.gz HBWGKLCMEFYLOS-WBVHZDCISA-N 0 0 455.368 4.632 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(Cl)c1 ZINC001460760015 1067718440 /nfs/dbraw/zinc/71/84/40/1067718440.db2.gz JOXCUIPVIVKWTO-UHFFFAOYSA-N 0 0 453.917 4.584 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC001460759428 1067718552 /nfs/dbraw/zinc/71/85/52/1067718552.db2.gz IOEHLTCPAZVZQZ-UHFFFAOYSA-N 0 0 457.368 4.781 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)N3CCCc4cc(C)cc(Br)c43)CCC2=O)c1 ZINC001460765361 1067719473 /nfs/dbraw/zinc/71/94/73/1067719473.db2.gz RQEWPYOVSTVVSQ-UHFFFAOYSA-N 0 0 454.368 4.837 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(Cl)c(C)cc1Br ZINC001460765845 1067719788 /nfs/dbraw/zinc/71/97/88/1067719788.db2.gz ZQAVBMXKPVKLOK-IBGZPJMESA-N 0 0 452.776 4.982 20 0 JJADRN Cc1cc(Br)c(COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC001460765662 1067719850 /nfs/dbraw/zinc/71/98/50/1067719850.db2.gz YESNEFJKYRXJRK-UHFFFAOYSA-N 0 0 450.716 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1(C)C ZINC001460770888 1067720635 /nfs/dbraw/zinc/72/06/35/1067720635.db2.gz CQUVHGJCKKPFHT-OAHLLOKOSA-N 0 0 450.794 4.820 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC001460770290 1067720685 /nfs/dbraw/zinc/72/06/85/1067720685.db2.gz YOQSOLLRHJHFCA-NZQKXSOJSA-N 0 0 452.599 4.823 20 0 JJADRN C=COc1ccc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)cc1 ZINC001460774318 1067721152 /nfs/dbraw/zinc/72/11/52/1067721152.db2.gz XBXHLPVFJBFCKE-MRXNPFEDSA-N 0 0 452.507 4.740 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc(OC)c1Cl ZINC001460780418 1067722038 /nfs/dbraw/zinc/72/20/38/1067722038.db2.gz GTZJWKGIPNEFMC-OAHLLOKOSA-N 0 0 457.741 4.907 20 0 JJADRN CCOc1cccnc1N1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001460779349 1067722109 /nfs/dbraw/zinc/72/21/09/1067722109.db2.gz RPMGFKYEWHANSR-UHFFFAOYSA-N 0 0 459.413 4.689 20 0 JJADRN COc1cc(NC(=O)c2cc(C)n(-c3ccccc3Br)n2)cc(OC)c1Cl ZINC001460788914 1067723643 /nfs/dbraw/zinc/72/36/43/1067723643.db2.gz HQBAWIXLLHZNTK-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN C[C@]1(C2CCN(CC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)CC2)COC(=O)N1 ZINC001460786815 1067723659 /nfs/dbraw/zinc/72/36/59/1067723659.db2.gz KPWLABNCJFSJIG-HSZRJFAPSA-N 0 0 459.999 4.640 20 0 JJADRN O=C(OCc1cc(Cl)cc(Br)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001460788163 1067723683 /nfs/dbraw/zinc/72/36/83/1067723683.db2.gz AEVYGINDABOROB-SFHVURJKSA-N 0 0 452.732 4.947 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)OCc2cc(Cl)cc(Br)c2)C1 ZINC001460788520 1067723917 /nfs/dbraw/zinc/72/39/17/1067723917.db2.gz AYAVHMOTGAWMJK-QGZVFWFLSA-N 0 0 450.760 4.627 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c1 ZINC001460790243 1067724081 /nfs/dbraw/zinc/72/40/81/1067724081.db2.gz SCZCOIICNQEASD-LBPRGKRZSA-N 0 0 450.862 4.663 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1)c1ccccc1 ZINC001460796609 1067725329 /nfs/dbraw/zinc/72/53/29/1067725329.db2.gz OPKVERCGTVGIKB-RBUKOAKNSA-N 0 0 454.567 4.568 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001460796934 1067725461 /nfs/dbraw/zinc/72/54/61/1067725461.db2.gz QETTXEAYPBREKL-LBPRGKRZSA-N 0 0 451.727 4.526 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)OCc1cccc(Br)c1Cl ZINC001460796614 1067725481 /nfs/dbraw/zinc/72/54/81/1067725481.db2.gz ZXYVXSZMTVSWPD-UHFFFAOYSA-N 0 0 454.748 4.755 20 0 JJADRN CN(C[C@@H]1CCCCN1CC(=O)Nc1nc(-c2cccs2)cs1)C(=O)OC(C)(C)C ZINC001460797848 1067725712 /nfs/dbraw/zinc/72/57/12/1067725712.db2.gz UBMZUNDBTDZCMX-HNNXBMFYSA-N 0 0 450.630 4.532 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)c2)cs1 ZINC001460801802 1067726711 /nfs/dbraw/zinc/72/67/11/1067726711.db2.gz POZSKUMPMRLHTP-JOCHJYFZSA-N 0 0 455.555 4.869 20 0 JJADRN COCCc1noc(CN(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)n1 ZINC001460803339 1067727002 /nfs/dbraw/zinc/72/70/02/1067727002.db2.gz XEMSVHLOJOQRPX-UHFFFAOYSA-N 0 0 450.308 4.584 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802233 1067727046 /nfs/dbraw/zinc/72/70/46/1067727046.db2.gz OUFPIGRZKAPXQX-OAHLLOKOSA-N 0 0 450.398 4.731 20 0 JJADRN CC(C)OC(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 ZINC001460806044 1067727781 /nfs/dbraw/zinc/72/77/81/1067727781.db2.gz XPPORMUMPXYBSF-UHFFFAOYSA-N 0 0 456.395 4.719 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCC[C@H]1c1ncc(Br)cn1 ZINC001460809228 1067728156 /nfs/dbraw/zinc/72/81/56/1067728156.db2.gz XYRNGHWGSHJNIF-KSSFIOAISA-N 0 0 451.796 4.639 20 0 JJADRN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001460812023 1067728666 /nfs/dbraw/zinc/72/86/66/1067728666.db2.gz LVHWSSWEYKYNFR-ROUUACIJSA-N 0 0 451.546 4.671 20 0 JJADRN COC(=O)[C@](C)(NCc1cncc(OCc2ccccc2)c1)c1cccc(Br)c1 ZINC001460816432 1067728942 /nfs/dbraw/zinc/72/89/42/1067728942.db2.gz GCBRGVKLQIVTER-HSZRJFAPSA-N 0 0 455.352 4.601 20 0 JJADRN C[C@@H](C(=O)N1CCCc2cc(Cl)cc(Br)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001460817753 1067728962 /nfs/dbraw/zinc/72/89/62/1067728962.db2.gz YQDZHHUUADZHPT-GFCCVEGCSA-N 0 0 456.789 4.589 20 0 JJADRN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001460822562 1067729511 /nfs/dbraw/zinc/72/95/11/1067729511.db2.gz VJHBNAGPAHNQKK-OPAMFIHVSA-N 0 0 455.521 4.898 20 0 JJADRN O=C(c1ccc(I)c(Cl)c1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001460825779 1067730379 /nfs/dbraw/zinc/73/03/79/1067730379.db2.gz KAJKJTNYFAWJHM-UHFFFAOYSA-N 0 0 451.613 4.955 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCc2cc(F)c(Br)cc2C1 ZINC001460829412 1067730815 /nfs/dbraw/zinc/73/08/15/1067730815.db2.gz URTPPYGZTWQVJD-GFCCVEGCSA-N 0 0 455.755 4.944 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C1(C)C ZINC001460836912 1067731798 /nfs/dbraw/zinc/73/17/98/1067731798.db2.gz YTEBTYFWCVBIJQ-VQTJNVASSA-N 0 0 465.623 4.520 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3F)n2CCCN2CCCCCC2=O)CCS1 ZINC001546119445 1067733017 /nfs/dbraw/zinc/73/30/17/1067733017.db2.gz CRFDNADKKMHESK-UHFFFAOYSA-N 0 0 487.689 4.913 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001460843314 1067733111 /nfs/dbraw/zinc/73/31/11/1067733111.db2.gz AGDBPSLQKMPMJV-UHFFFAOYSA-N 0 0 458.502 4.578 20 0 JJADRN COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 ZINC001460842893 1067733149 /nfs/dbraw/zinc/73/31/49/1067733149.db2.gz ZQSSAAIBXHTVBC-ZDUSSCGKSA-N 0 0 456.340 4.780 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)c(OC)c2)CCS1 ZINC001546119480 1067733592 /nfs/dbraw/zinc/73/35/92/1067733592.db2.gz DVYLGDDFZMLOPI-UHFFFAOYSA-N 0 0 451.640 4.741 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(CCOc1ccccc1C(F)(F)F)CCO2 ZINC001460844108 1067733598 /nfs/dbraw/zinc/73/35/98/1067733598.db2.gz PWEYCNKYRFIFJO-UHFFFAOYSA-N 0 0 458.521 4.623 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N3[C@H](C)CCC3(C)C)cc2)cc1C ZINC001460851135 1067734758 /nfs/dbraw/zinc/73/47/58/1067734758.db2.gz MKDHBBRFDXSWER-UXHICEINSA-N 0 0 458.624 4.685 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NC2CCCCC2)CCS1 ZINC001546119590 1067735101 /nfs/dbraw/zinc/73/51/01/1067735101.db2.gz JAMJHTPMCUAYDY-UHFFFAOYSA-N 0 0 499.725 4.633 20 0 JJADRN CCC1(CC)CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(C)C)c2)CCS1 ZINC001546119583 1067735242 /nfs/dbraw/zinc/73/52/42/1067735242.db2.gz IOSMUZCDPZFMRF-UHFFFAOYSA-N 0 0 485.698 4.596 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccccc2)CCS1 ZINC001546119606 1067735440 /nfs/dbraw/zinc/73/54/40/1067735440.db2.gz JMPBUIFNQZIEPR-HXUWFJFHSA-N 0 0 451.640 4.843 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2cccc(OC)c2)CCS1 ZINC001546119623 1067736008 /nfs/dbraw/zinc/73/60/08/1067736008.db2.gz KBCYDRYDSILFHB-FQEVSTJZSA-N 0 0 481.666 4.852 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccc(F)cc2)CCS1 ZINC001546119670 1067736328 /nfs/dbraw/zinc/73/63/28/1067736328.db2.gz LUGGHLTZIOHVJD-FQEVSTJZSA-N 0 0 486.661 4.858 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001460863718 1067736656 /nfs/dbraw/zinc/73/66/56/1067736656.db2.gz DCRAMIVYKNCBKW-LEWJYISDSA-N 0 0 450.501 4.634 20 0 JJADRN CCOC(=O)Cc1cnc(N(C)C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)s1 ZINC001460862621 1067736702 /nfs/dbraw/zinc/73/67/02/1067736702.db2.gz GNEDDZPRIQWWSF-UHFFFAOYSA-N 0 0 454.335 4.796 20 0 JJADRN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001460863221 1067736835 /nfs/dbraw/zinc/73/68/35/1067736835.db2.gz ZPXQZAIWNWHFSF-LBPRGKRZSA-N 0 0 459.779 4.733 20 0 JJADRN FC(F)Oc1c(Br)cccc1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001460866622 1067737486 /nfs/dbraw/zinc/73/74/86/1067737486.db2.gz VUKCXLOAYMEXBM-NSHDSACASA-N 0 0 452.221 4.849 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(F)cn2)CCS1 ZINC001546119702 1067737519 /nfs/dbraw/zinc/73/75/19/1067737519.db2.gz NDWDQENAOYLFDA-UHFFFAOYSA-N 0 0 455.603 4.572 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460869512 1067738767 /nfs/dbraw/zinc/73/87/67/1067738767.db2.gz WYIOOZASFOKBOT-AKHDSKFASA-N 0 0 472.429 4.835 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001460869482 1067738775 /nfs/dbraw/zinc/73/87/75/1067738775.db2.gz WTXLDQWSNNYVSD-LEWJYISDSA-N 0 0 458.480 4.633 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC001460869423 1067738778 /nfs/dbraw/zinc/73/87/78/1067738778.db2.gz HZGXBFLQRZUIAR-LJQANCHMSA-N 0 0 456.406 4.895 20 0 JJADRN Cc1c(NC(=O)c2cc(/C=C/c3cccs3)nc3ccc(Br)cc32)nnn1C ZINC001460869915 1067739147 /nfs/dbraw/zinc/73/91/47/1067739147.db2.gz BLSFXMTVALHJNR-VOTSOKGWSA-N 0 0 454.353 4.918 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460870776 1067739177 /nfs/dbraw/zinc/73/91/77/1067739177.db2.gz KMAVIZQUMLMNKG-GOSISDBHSA-N 0 0 451.583 4.677 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3C)n2CCc2nccnc2C)CCS1 ZINC001546119800 1067741368 /nfs/dbraw/zinc/74/13/68/1067741368.db2.gz QLCIZIUJIIGEOP-UHFFFAOYSA-N 0 0 450.656 4.630 20 0 JJADRN Cc1ccc(Oc2ccccc2NC(=O)CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001460881393 1067741715 /nfs/dbraw/zinc/74/17/15/1067741715.db2.gz RGIMKASJPADYFN-WOJBJXKFSA-N 0 0 453.583 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CCCn3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001460882397 1067741887 /nfs/dbraw/zinc/74/18/87/1067741887.db2.gz NRCHCAMPLRGAHG-HXUWFJFHSA-N 0 0 456.631 4.881 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)Oc1ccc(Cl)c(F)c1F ZINC001460885830 1067742628 /nfs/dbraw/zinc/74/26/28/1067742628.db2.gz UFYDBAXEJKZHFO-UHFFFAOYSA-N 0 0 452.622 4.987 20 0 JJADRN COc1ccc([C@H](C)CC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)cc1 ZINC001460885706 1067742759 /nfs/dbraw/zinc/74/27/59/1067742759.db2.gz SSQPIUDZUOWQRZ-CQSZACIVSA-N 0 0 451.336 4.566 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2Cc2cccc(COC)c2)CCS1 ZINC001546119936 1067743010 /nfs/dbraw/zinc/74/30/10/1067743010.db2.gz VROZOLWTQBFBKW-UHFFFAOYSA-N 0 0 451.640 4.571 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCCC2)CCS1 ZINC001546119867 1067743144 /nfs/dbraw/zinc/74/31/44/1067743144.db2.gz SVHLMLGAXAAWAR-UHFFFAOYSA-N 0 0 499.725 4.804 20 0 JJADRN CCC1(CC)CN(c2nnc(CC3CC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCS1 ZINC001546120029 1067745482 /nfs/dbraw/zinc/74/54/82/1067745482.db2.gz ZPUUQTCMEWGFMX-IBGZPJMESA-N 0 0 465.708 4.892 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2CCc2cccc(OC)c2)CCS1 ZINC001546120031 1067745574 /nfs/dbraw/zinc/74/55/74/1067745574.db2.gz ZTUNZMMTCVAEJY-UHFFFAOYSA-N 0 0 451.640 4.627 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC001460909159 1067746156 /nfs/dbraw/zinc/74/61/56/1067746156.db2.gz NRHLSRVCEUXKEF-JKFKMHIGSA-N 0 0 463.578 4.532 20 0 JJADRN CC(=O)N(c1nc(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cs1)c1ccc(C)c(C)c1 ZINC001460907993 1067746213 /nfs/dbraw/zinc/74/62/13/1067746213.db2.gz VOOVNZZPSWVFCA-LEWJYISDSA-N 0 0 456.612 4.638 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H]1c1ccccc1 ZINC001460917336 1067747742 /nfs/dbraw/zinc/74/77/42/1067747742.db2.gz OIZKBBBVZYPTIT-YCRNBWNJSA-N 0 0 469.368 4.841 20 0 JJADRN O=C(NCC1(c2c(F)cccc2F)CCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001460918977 1067748138 /nfs/dbraw/zinc/74/81/38/1067748138.db2.gz CSJCUGPGDVUPOT-UHFFFAOYSA-N 0 0 455.526 4.790 20 0 JJADRN CCC[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1cccc(Cl)c1 ZINC001460921615 1067748491 /nfs/dbraw/zinc/74/84/91/1067748491.db2.gz VOJAPVCTTJHLCC-MRXNPFEDSA-N 0 0 452.780 4.857 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001460922865 1067748792 /nfs/dbraw/zinc/74/87/92/1067748792.db2.gz MXEYMDCMCNDGCO-UNMCSNQZSA-N 0 0 456.489 4.859 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC001460924570 1067749200 /nfs/dbraw/zinc/74/92/00/1067749200.db2.gz WTFHKJLUUVNOMR-UHFFFAOYSA-N 0 0 459.833 4.930 20 0 JJADRN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCCc2cc(CCNC(=O)OC(C)(C)C)ccc21 ZINC001460925332 1067749255 /nfs/dbraw/zinc/74/92/55/1067749255.db2.gz SLADOCJJKMUTJS-MRXNPFEDSA-N 0 0 459.537 4.812 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC001460931602 1067750325 /nfs/dbraw/zinc/75/03/25/1067750325.db2.gz CCILFUQTWWQRMA-SFHVURJKSA-N 0 0 454.324 4.627 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C)CCC(C)(C)CC2)c1Cl ZINC001460937352 1067750957 /nfs/dbraw/zinc/75/09/57/1067750957.db2.gz MIHSBBIRRPVKCX-UHFFFAOYSA-N 0 0 450.428 4.750 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)c1cc(F)c(F)cc1F)OCc1ccccc1 ZINC001460943360 1067751583 /nfs/dbraw/zinc/75/15/83/1067751583.db2.gz VQTGHIBZVRHVAP-UHFFFAOYSA-N 0 0 452.473 4.983 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001460940665 1067751631 /nfs/dbraw/zinc/75/16/31/1067751631.db2.gz WSSBUSSZXZHQLG-GXPWMBGSSA-N 0 0 454.398 4.620 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cc3ccccc3cc2OC(F)F)c1 ZINC001460941156 1067751659 /nfs/dbraw/zinc/75/16/59/1067751659.db2.gz WXQLEOMPQIKKEW-UHFFFAOYSA-N 0 0 453.894 4.818 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C(F)(F)F ZINC001460944033 1067751926 /nfs/dbraw/zinc/75/19/26/1067751926.db2.gz DQAMNEWAIPNNRA-CQSZACIVSA-N 0 0 451.436 4.602 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)cc1 ZINC001460946838 1067751933 /nfs/dbraw/zinc/75/19/33/1067751933.db2.gz LBLILHWPGCUNST-UHFFFAOYSA-N 0 0 455.580 4.876 20 0 JJADRN COc1ccc([C@@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccco2)cc1 ZINC001460947671 1067752216 /nfs/dbraw/zinc/75/22/16/1067752216.db2.gz NCPCAZAEVZNECR-JOCHJYFZSA-N 0 0 459.468 4.824 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001460951844 1067752609 /nfs/dbraw/zinc/75/26/09/1067752609.db2.gz VSXCAHDOMWMEFA-YADHBBJMSA-N 0 0 465.347 4.744 20 0 JJADRN C/C(=C\C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1OC(F)F ZINC001460952766 1067752692 /nfs/dbraw/zinc/75/26/92/1067752692.db2.gz NTHBZVQDXVZKRU-AYJWMTRPSA-N 0 0 452.420 4.653 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2ccco2)cc1 ZINC001460951918 1067752748 /nfs/dbraw/zinc/75/27/48/1067752748.db2.gz YTGZVWAZNMQQTJ-XXBNENTESA-N 0 0 452.938 4.700 20 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CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001460965554 1067754272 /nfs/dbraw/zinc/75/42/72/1067754272.db2.gz RFVNWGJQAGXZEP-HXUWFJFHSA-N 0 0 457.615 4.605 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC001460974673 1067755222 /nfs/dbraw/zinc/75/52/22/1067755222.db2.gz OPBXPJAAIGMWJO-GOSISDBHSA-N 0 0 455.603 4.643 20 0 JJADRN O=C(CN1CCC(OCc2ccc(Br)cc2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC001460976291 1067755557 /nfs/dbraw/zinc/75/55/57/1067755557.db2.gz ROEAWCSCPQEAJB-XMMPIXPASA-N 0 0 457.412 4.698 20 0 JJADRN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460978948 1067756007 /nfs/dbraw/zinc/75/60/07/1067756007.db2.gz YOADOSYAFPTWTI-CVGURMSBSA-N 0 0 453.370 4.902 20 0 JJADRN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001460980351 1067756530 /nfs/dbraw/zinc/75/65/30/1067756530.db2.gz ORWGMGMAGBGMPI-IBGZPJMESA-N 0 0 452.898 4.662 20 0 JJADRN COc1cc(Cl)ccc1OC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 ZINC001460987780 1067757960 /nfs/dbraw/zinc/75/79/60/1067757960.db2.gz LZKVJLCPTHVQRH-UHFFFAOYSA-N 0 0 453.922 4.968 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)Oc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC001460988197 1067758010 /nfs/dbraw/zinc/75/80/10/1067758010.db2.gz OCEAZNXIAWKFNU-UHFFFAOYSA-N 0 0 456.970 4.553 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988144 1067758085 /nfs/dbraw/zinc/75/80/85/1067758085.db2.gz USXZBJOKMBNUQI-PMACEKPBSA-N 0 0 457.659 4.853 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001460994674 1067759412 /nfs/dbraw/zinc/75/94/12/1067759412.db2.gz ZWNQYLABXCABQG-IBGZPJMESA-N 0 0 453.446 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1COCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001461006388 1067761299 /nfs/dbraw/zinc/76/12/99/1067761299.db2.gz VCDYNESGCJKVNT-RBUKOAKNSA-N 0 0 450.457 4.659 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1)c1cccs1 ZINC001461010464 1067761604 /nfs/dbraw/zinc/76/16/04/1067761604.db2.gz PAFVSYOOYLKOOV-UHFFFAOYSA-N 0 0 453.589 4.824 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2Cc2c(C)noc2C)CCS1 ZINC001546120807 1067761967 /nfs/dbraw/zinc/76/19/67/1067761967.db2.gz ACERQCGQWKAOOX-UHFFFAOYSA-N 0 0 455.628 4.931 20 0 JJADRN O=C(COc1cccc(Br)c1)N1CCC[C@@H]1Cc1ccccc1Br ZINC001461015609 1067762316 /nfs/dbraw/zinc/76/23/16/1067762316.db2.gz DSRJRZFARDXEPA-MRXNPFEDSA-N 0 0 453.174 4.824 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H]2Cc2ccccc2Br)nnn1-c1cccc(Cl)c1 ZINC001461016747 1067762581 /nfs/dbraw/zinc/76/25/81/1067762581.db2.gz KZTJAHNPJQTJTO-KRWDZBQOSA-N 0 0 459.775 4.839 20 0 JJADRN O=C(COc1cccc(I)c1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001461022449 1067763668 /nfs/dbraw/zinc/76/36/68/1067763668.db2.gz KBJDDQRPMHJBAQ-WMLDXEAASA-N 0 0 455.723 4.776 20 0 JJADRN C[C@H](CC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024713 1067764072 /nfs/dbraw/zinc/76/40/72/1067764072.db2.gz GQRYXRDIKRNJLS-HIFRSBDPSA-N 0 0 458.402 4.835 20 0 JJADRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001461025897 1067764343 /nfs/dbraw/zinc/76/43/43/1067764343.db2.gz MLBALQKNVXZYOR-IAGOWNOFSA-N 0 0 452.580 4.578 20 0 JJADRN Cn1ccnc1[C@H](NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1F ZINC001461025280 1067764408 /nfs/dbraw/zinc/76/44/08/1067764408.db2.gz XUTJVDNJONONOM-HSZRJFAPSA-N 0 0 450.558 4.732 20 0 JJADRN O=C(NC1(c2cccc(Br)c2)CCCCC1)c1cccn(CC(F)(F)F)c1=O ZINC001461028436 1067764684 /nfs/dbraw/zinc/76/46/84/1067764684.db2.gz ADFJLPHXOWRJDY-UHFFFAOYSA-N 0 0 457.290 4.763 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F ZINC001461028170 1067764709 /nfs/dbraw/zinc/76/47/09/1067764709.db2.gz XNQFUGAKRWAEQG-MRXNPFEDSA-N 0 0 456.917 4.849 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461035364 1067766618 /nfs/dbraw/zinc/76/66/18/1067766618.db2.gz CSTLBYXGVWLUNI-XLIONFOSSA-N 0 0 459.359 4.565 20 0 JJADRN COc1ccc(CNCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC(F)F ZINC001461038231 1067767421 /nfs/dbraw/zinc/76/74/21/1067767421.db2.gz LMHUGWRXHGTOII-UHFFFAOYSA-N 0 0 451.470 4.867 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001461039922 1067767680 /nfs/dbraw/zinc/76/76/80/1067767680.db2.gz OLJPNBJHQKEVRE-UHFFFAOYSA-N 0 0 459.518 4.891 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccc(I)cc1F ZINC001461042415 1067768287 /nfs/dbraw/zinc/76/82/87/1067768287.db2.gz QSOLKDZLYHUWID-AWEZNQCLSA-N 0 0 453.295 4.914 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]3C)cs2)cc1 ZINC001461043440 1067768610 /nfs/dbraw/zinc/76/86/10/1067768610.db2.gz RXGJNOCYBLFSOT-NUJGCVRESA-N 0 0 459.612 4.830 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CCS1 ZINC001546121076 1067768918 /nfs/dbraw/zinc/76/89/18/1067768918.db2.gz KGABWDUHOUQTQK-BGYRXZFFSA-N 0 0 491.702 4.508 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2C)CCS1 ZINC001546121039 1067768959 /nfs/dbraw/zinc/76/89/59/1067768959.db2.gz IORJSYBNQLBFPR-WOJBJXKFSA-N 0 0 474.671 4.650 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C/C=C/c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461049073 1067769175 /nfs/dbraw/zinc/76/91/75/1067769175.db2.gz KECVFZVYXMMMBZ-WTJLDUFHSA-N 0 0 464.306 4.546 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)C[C@H]1c1ccc(Br)cc1 ZINC001461049645 1067769622 /nfs/dbraw/zinc/76/96/22/1067769622.db2.gz HSPPFCIIUWBNTB-LSDHHAIUSA-N 0 0 479.783 4.741 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)/C=C(\C)c2ccccc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001461049672 1067769643 /nfs/dbraw/zinc/76/96/43/1067769643.db2.gz IFTLUDUTUWRVAX-VWHUOQICSA-N 0 0 462.771 4.921 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001461051795 1067770263 /nfs/dbraw/zinc/77/02/63/1067770263.db2.gz UDDMYBAZDAOQSP-AKHDSKFASA-N 0 0 454.300 4.790 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)C[C@H]1c1ccc(F)cc1F ZINC001461052820 1067770553 /nfs/dbraw/zinc/77/05/53/1067770553.db2.gz VEROUZICXGDKLS-UDTPNQRGSA-N 0 0 451.872 4.666 20 0 JJADRN CC[C@H](CC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1)c1ccc(OC)cc1 ZINC001461053645 1067771124 /nfs/dbraw/zinc/77/11/24/1067771124.db2.gz VHSXYQBJJIBAIF-URZJWIJPSA-N 0 0 474.395 4.757 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(C)cc3)n2CCCc2c[nH]nc2C)CCS1 ZINC001546121117 1067771728 /nfs/dbraw/zinc/77/17/28/1067771728.db2.gz LQWYJMMHUZUJDY-UHFFFAOYSA-N 0 0 468.671 4.942 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461058997 1067772118 /nfs/dbraw/zinc/77/21/18/1067772118.db2.gz OQWYWIZNLOCAMS-QRFQSNJMSA-N 0 0 456.410 4.870 20 0 JJADRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c21 ZINC001461059435 1067772152 /nfs/dbraw/zinc/77/21/52/1067772152.db2.gz JOWFZJTXGODGGI-YTTGMZPUSA-N 0 0 454.504 4.880 20 0 JJADRN Cc1cc(I)cc(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)c1C ZINC001461060776 1067772897 /nfs/dbraw/zinc/77/28/97/1067772897.db2.gz CGQVDRRNSXFGCJ-HNNXBMFYSA-N 0 0 459.368 4.642 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001461061126 1067773216 /nfs/dbraw/zinc/77/32/16/1067773216.db2.gz VTAVFBKLSRMJQG-HTAPYJJXSA-N 0 0 454.542 4.969 20 0 JJADRN O=C(Nc1cc(Br)ccc1OC(F)(F)F)c1ccc2nnc(C(F)F)n2c1 ZINC001461066162 1067774697 /nfs/dbraw/zinc/77/46/97/1067774697.db2.gz VRDOBZBARMNTQM-UHFFFAOYSA-N 0 0 451.149 4.580 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Cl)c(I)c2)cnn1-c1cccc(C)c1 ZINC001461068986 1067775471 /nfs/dbraw/zinc/77/54/71/1067775471.db2.gz ZPKVYSYVVZOUAK-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001461070329 1067775691 /nfs/dbraw/zinc/77/56/91/1067775691.db2.gz BJIKZPPPCCWLPR-YFHOEESVSA-N 0 0 450.844 4.517 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccc(F)cc2)CCS1 ZINC001546121338 1067775748 /nfs/dbraw/zinc/77/57/48/1067775748.db2.gz UHVMKMDPPHJDGX-NNWRFLSQSA-N 0 0 492.661 4.641 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001461071158 1067776000 /nfs/dbraw/zinc/77/60/00/1067776000.db2.gz OTYAMWFBGANZGQ-QGZVFWFLSA-N 0 0 450.457 4.567 20 0 JJADRN O=C(Nc1cc(Br)ccc1OC(F)(F)F)c1cc(Br)cnc1F ZINC001461071399 1067776129 /nfs/dbraw/zinc/77/61/29/1067776129.db2.gz PBZZUYAQWZFXHV-UHFFFAOYSA-N 0 0 458.003 4.897 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC001461071754 1067776133 /nfs/dbraw/zinc/77/61/33/1067776133.db2.gz KUAPGUTXORNOJP-KRWDZBQOSA-N 0 0 450.526 4.871 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3OC)n2CCOC(C)(C)C)CCS1 ZINC001546121370 1067776382 /nfs/dbraw/zinc/77/63/82/1067776382.db2.gz VKEKXSWJUCBBPW-UHFFFAOYSA-N 0 0 462.660 4.793 20 0 JJADRN CCOc1cc(CNc2ccc(NC(C)=O)c(Cl)c2)ccc1OCC(=O)N1CCCCC1 ZINC001461074812 1067776595 /nfs/dbraw/zinc/77/65/95/1067776595.db2.gz CSBQIACFHWUPIH-UHFFFAOYSA-N 0 0 459.974 4.701 20 0 JJADRN O=C(CCc1cccc(OC(F)F)c1)NCc1c(F)c(F)c(Br)c(F)c1F ZINC001461074768 1067776764 /nfs/dbraw/zinc/77/67/64/1067776764.db2.gz GYGXAGMYWCHOCD-UHFFFAOYSA-N 0 0 456.180 4.856 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(CO)c2)CCS1 ZINC001546121439 1067777633 /nfs/dbraw/zinc/77/76/33/1067777633.db2.gz YEWOYQJOYKYOQX-FGZHOGPDSA-N 0 0 472.699 4.849 20 0 JJADRN Cc1ccc(SCC(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)c(C)c1 ZINC001461084072 1067778448 /nfs/dbraw/zinc/77/84/48/1067778448.db2.gz FDRIFMWIRKWAMU-UHFFFAOYSA-N 0 0 459.413 4.873 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)CCC2=O)cc1C ZINC001461083727 1067778484 /nfs/dbraw/zinc/77/84/84/1067778484.db2.gz YCBLTMOQDCBYOQ-KRWDZBQOSA-N 0 0 454.933 4.722 20 0 JJADRN COCCCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(Br)cn1 ZINC001461086408 1067778669 /nfs/dbraw/zinc/77/86/69/1067778669.db2.gz IQZHPGVUPHMVMK-UHFFFAOYSA-N 0 0 450.333 4.790 20 0 JJADRN COCCOc1ccc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)c(Cl)c1 ZINC001461086644 1067778756 /nfs/dbraw/zinc/77/87/56/1067778756.db2.gz MWPJUHZUKUTRLO-UHFFFAOYSA-N 0 0 454.836 4.730 20 0 JJADRN C[C@H](c1ccccc1)n1cc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cn1 ZINC001461090808 1067780133 /nfs/dbraw/zinc/78/01/33/1067780133.db2.gz DXTHWWPFTZHWHL-GOSISDBHSA-N 0 0 455.555 4.747 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)CC1 ZINC001461092406 1067780239 /nfs/dbraw/zinc/78/02/39/1067780239.db2.gz MSTICJRTPKJVHD-HHHXNRCGSA-N 0 0 451.586 4.713 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(Cl)ccc1I ZINC001461105088 1067782807 /nfs/dbraw/zinc/78/28/07/1067782807.db2.gz QHUXPTKOSNOWBR-GFCCVEGCSA-N 0 0 456.707 4.944 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N(Cc3c(C)cccc3C)CC(C)C)n2)cc1 ZINC001461107452 1067783027 /nfs/dbraw/zinc/78/30/27/1067783027.db2.gz MHKLRNIVOGYYJY-UHFFFAOYSA-N 0 0 450.583 4.516 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001461108407 1067783375 /nfs/dbraw/zinc/78/33/75/1067783375.db2.gz DBWUNFRIOOPNCT-MAODMQOUSA-N 0 0 478.374 4.682 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc(Cl)cc1 ZINC001461110304 1067783687 /nfs/dbraw/zinc/78/36/87/1067783687.db2.gz BVBIBTZBIMFXRE-YLJYHZDGSA-N 0 0 455.839 4.948 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@@H]1COc2ccc(Br)cc21 ZINC001461110209 1067783834 /nfs/dbraw/zinc/78/38/34/1067783834.db2.gz BDXXIFJFFGZAEG-PXAZEXFGSA-N 0 0 457.221 4.965 20 0 JJADRN Cc1ccccc1C1=CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001546121777 1067784888 /nfs/dbraw/zinc/78/48/88/1067784888.db2.gz LFPKMHDBBCWZQN-UHFFFAOYSA-N 0 0 454.498 4.613 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)c1 ZINC001461122309 1067785199 /nfs/dbraw/zinc/78/51/99/1067785199.db2.gz YYYOWGSGYPXTEK-ORAYPTAESA-N 0 0 459.411 4.716 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)c(I)cc1Cl ZINC001461122269 1067785307 /nfs/dbraw/zinc/78/53/07/1067785307.db2.gz XORKEEYEMKEEJC-KPZWWZAWSA-N 0 0 473.713 4.994 20 0 JJADRN CCOc1cc2c(cc1CNCc1cn(-c3ccccc3Br)nc1C)O[C@@H](C)C2 ZINC001461141017 1067788241 /nfs/dbraw/zinc/78/82/41/1067788241.db2.gz UMQJGWHUYXLTOO-HNNXBMFYSA-N 0 0 456.384 4.955 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001461146516 1067789053 /nfs/dbraw/zinc/78/90/53/1067789053.db2.gz DGLOKBCDPGGEDD-GOSISDBHSA-N 0 0 458.440 4.650 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CC[C@H](Oc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461156994 1067790717 /nfs/dbraw/zinc/79/07/17/1067790717.db2.gz DBSDGXYSKAUQTI-YCRNBWNJSA-N 0 0 458.961 4.847 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001461160394 1067791359 /nfs/dbraw/zinc/79/13/59/1067791359.db2.gz YZNVMDKMCCPMRX-NNMXDRDESA-N 0 0 455.396 4.530 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@H](COCc3ccccc3)C(=O)OCc3ccccc3)CCC2)cc1 ZINC001461165420 1067791679 /nfs/dbraw/zinc/79/16/79/1067791679.db2.gz GBWCETADXHUHHS-AREMUKBSSA-N 0 0 457.570 4.862 20 0 JJADRN CS[C@H](C(=O)N(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001461171262 1067792274 /nfs/dbraw/zinc/79/22/74/1067792274.db2.gz QKPYNXYCOKBMCC-QFIPXVFZSA-N 0 0 455.624 4.914 20 0 JJADRN O=C(Cn1cnc2ccc(Br)cc2c1=O)OCc1ccc(Cl)c2ccccc12 ZINC001461170258 1067792412 /nfs/dbraw/zinc/79/24/12/1067792412.db2.gz YVMXLEOROYWRCQ-UHFFFAOYSA-N 0 0 457.711 4.709 20 0 JJADRN CCc1cccc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)c1 ZINC001461171619 1067792461 /nfs/dbraw/zinc/79/24/61/1067792461.db2.gz LEOAPXGNSGLATI-UHFFFAOYSA-N 0 0 453.560 4.748 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(OC)c(F)c2)CCCC1 ZINC001546122221 1067792666 /nfs/dbraw/zinc/79/26/66/1067792666.db2.gz CBJDRMVUGAJGTQ-UHFFFAOYSA-N 0 0 466.561 4.680 20 0 JJADRN O=C([C@@H](c1c(F)cccc1Cl)N1CCCCC1)N1CCN(c2c(F)cccc2F)CC1 ZINC001461174041 1067792767 /nfs/dbraw/zinc/79/27/67/1067792767.db2.gz BRKGOEDYCGLBIM-JOCHJYFZSA-N 0 0 451.920 4.633 20 0 JJADRN CC/C(=C/C(=O)Nc1cc(I)sc1C(=O)OC)c1ccc(C)cc1 ZINC001461176693 1067793043 /nfs/dbraw/zinc/79/30/43/1067793043.db2.gz VZUXHBGRVVYAMY-XFXZXTDPSA-N 0 0 455.317 4.880 20 0 JJADRN Cc1nn(C)c(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1Cl ZINC001461178320 1067793534 /nfs/dbraw/zinc/79/35/34/1067793534.db2.gz JMQRQJFHFXSNJR-UHFFFAOYSA-N 0 0 459.984 4.631 20 0 JJADRN CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(Br)c2I)CCO1 ZINC001461183808 1067794497 /nfs/dbraw/zinc/79/44/97/1067794497.db2.gz DPTGLWOGEOIOOT-WDEREUQCSA-N 0 0 452.130 4.588 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC001461184809 1067794995 /nfs/dbraw/zinc/79/49/95/1067794995.db2.gz LFIJCNVCIJVZQT-UHFFFAOYSA-N 0 0 456.502 4.502 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@H](C)C(=O)OC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC001461188077 1067795677 /nfs/dbraw/zinc/79/56/77/1067795677.db2.gz GCFARXNAFABIBC-LQBOVUBWSA-N 0 0 456.608 4.635 20 0 JJADRN COc1ccc([C@H](NCc2nc(Br)c[nH]2)c2ccccc2)cc1Br ZINC001461192038 1067796344 /nfs/dbraw/zinc/79/63/44/1067796344.db2.gz ZDEGEWZDBLRBQR-GOSISDBHSA-N 0 0 451.162 4.823 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC001461195746 1067797521 /nfs/dbraw/zinc/79/75/21/1067797521.db2.gz QSNAODTXJHZBFP-HXUWFJFHSA-N 0 0 455.352 4.680 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001461198811 1067797816 /nfs/dbraw/zinc/79/78/16/1067797816.db2.gz PPZSKRZZXBUYOO-UHFFFAOYSA-N 0 0 453.315 4.803 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC001461198706 1067797971 /nfs/dbraw/zinc/79/79/71/1067797971.db2.gz NLKXQGYMSHSLCN-UHFFFAOYSA-N 0 0 453.315 4.803 20 0 JJADRN CCCc1c(C(=O)Nc2nc3cccc(OC)c3s2)cnn1-c1cc(F)c(OC)cc1F ZINC001461198578 1067797988 /nfs/dbraw/zinc/79/79/88/1067797988.db2.gz IMBOYMWARCRRPX-UHFFFAOYSA-N 0 0 458.490 4.982 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1)C(F)(F)F ZINC001461201558 1067798210 /nfs/dbraw/zinc/79/82/10/1067798210.db2.gz GPMOEWZOQBYQGZ-MRXNPFEDSA-N 0 0 459.852 4.713 20 0 JJADRN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c2c1 ZINC001461206505 1067799408 /nfs/dbraw/zinc/79/94/08/1067799408.db2.gz QLRBRZFOBCUTHK-SFHVURJKSA-N 0 0 451.489 4.914 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(F)(F)F ZINC001461208304 1067799775 /nfs/dbraw/zinc/79/97/75/1067799775.db2.gz WABGUOHYWSTGHH-CYBMUJFWSA-N 0 0 459.292 4.724 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC001461216521 1067801035 /nfs/dbraw/zinc/80/10/35/1067801035.db2.gz ZEILJMXYZBTYKT-ZDUSSCGKSA-N 0 0 453.764 4.989 20 0 JJADRN COCCOc1cccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001461216778 1067801756 /nfs/dbraw/zinc/80/17/56/1067801756.db2.gz LGCBMOJXFAJUHU-AREMUKBSSA-N 0 0 453.604 4.611 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)nnc1-c1ccccc1 ZINC001461221422 1067802588 /nfs/dbraw/zinc/80/25/88/1067802588.db2.gz OIQYHAYHZASDBL-USXIJHARSA-N 0 0 456.534 4.624 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1F ZINC001461221011 1067802619 /nfs/dbraw/zinc/80/26/19/1067802619.db2.gz GZBZDPHTDAAUGV-UHFFFAOYSA-N 0 0 453.297 4.792 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 ZINC001461220919 1067802676 /nfs/dbraw/zinc/80/26/76/1067802676.db2.gz BBOYVADYMBYNKA-UHFFFAOYSA-N 0 0 454.785 4.701 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001461220664 1067802687 /nfs/dbraw/zinc/80/26/87/1067802687.db2.gz MUJSAHUUCMYYSI-NRFANRHFSA-N 0 0 454.571 4.985 20 0 JJADRN COc1ccc(C(=O)Oc2cccc3sccc32)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001461222618 1067803116 /nfs/dbraw/zinc/80/31/16/1067803116.db2.gz MPPQJOMKROUSKW-HZPDHXFCSA-N 0 0 459.589 4.796 20 0 JJADRN COc1cc(NC(=O)c2ncc(Br)cc2Br)cc(Cl)c1OC ZINC001461226617 1067804355 /nfs/dbraw/zinc/80/43/55/1067804355.db2.gz WUKPEXAGSGRAPT-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001461232955 1067805267 /nfs/dbraw/zinc/80/52/67/1067805267.db2.gz WMCPOGXMFFRULX-UHFFFAOYSA-N 0 0 455.392 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CNc2ccc(COC3CCCC3)cc2)C1 ZINC001461234183 1067805385 /nfs/dbraw/zinc/80/53/85/1067805385.db2.gz LRKDCJRIRFULFC-OAQYLSRUSA-N 0 0 455.603 4.921 20 0 JJADRN CCCOc1c(Br)cc(CNCc2nc3cc(F)ccc3n2C)cc1OCC ZINC001461234041 1067806098 /nfs/dbraw/zinc/80/60/98/1067806098.db2.gz WPKROAJGAIGYSS-UHFFFAOYSA-N 0 0 450.352 4.952 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)CCCC1 ZINC001546122680 1067806757 /nfs/dbraw/zinc/80/67/57/1067806757.db2.gz TZCATKMMYFRKDX-SFHVURJKSA-N 0 0 488.702 4.719 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC001461240864 1067807367 /nfs/dbraw/zinc/80/73/67/1067807367.db2.gz SUGXOURMFUWNNX-MRXNPFEDSA-N 0 0 457.324 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC001461243314 1067807829 /nfs/dbraw/zinc/80/78/29/1067807829.db2.gz AEVDHQKFOJQKSV-UHFFFAOYSA-N 0 0 451.539 4.855 20 0 JJADRN CC(C)c1cc(NC(=O)c2cc3cc(Br)cnc3n2C)n(Cc2ccccc2)n1 ZINC001461241851 1067808093 /nfs/dbraw/zinc/80/80/93/1067808093.db2.gz WZEZVMVITUGVKW-UHFFFAOYSA-N 0 0 452.356 4.956 20 0 JJADRN Cc1c(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cnn1-c1ccc(F)cc1F ZINC001461244153 1067808415 /nfs/dbraw/zinc/80/84/15/1067808415.db2.gz DWTLZTDRBRPZGB-SFHVURJKSA-N 0 0 456.493 4.706 20 0 JJADRN C[C@@H](C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001461246479 1067808748 /nfs/dbraw/zinc/80/87/48/1067808748.db2.gz UDRWGBVNVKJBEW-CQSZACIVSA-N 0 0 450.423 4.745 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)cc1 ZINC001461249269 1067809486 /nfs/dbraw/zinc/80/94/86/1067809486.db2.gz YRGWHTZDAXRQAH-DCFHFQCYSA-N 0 0 450.579 4.846 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(Br)cc(Br)c2)nc1 ZINC001461251324 1067810090 /nfs/dbraw/zinc/81/00/90/1067810090.db2.gz QIBLXJVGLUTSPV-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NCc2cc3ccc(F)cc3[nH]c2=O)c2ccc(F)cc2)c1 ZINC001461254510 1067810778 /nfs/dbraw/zinc/81/07/78/1067810778.db2.gz HIGOYHSQHBFHDP-HSZRJFAPSA-N 0 0 454.498 4.501 20 0 JJADRN COC(OC)[C@H](NC(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccccc1 ZINC001461255468 1067811308 /nfs/dbraw/zinc/81/13/08/1067811308.db2.gz PHHLDUSGTXJPQQ-HXUWFJFHSA-N 0 0 457.324 4.726 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001461256601 1067811329 /nfs/dbraw/zinc/81/13/29/1067811329.db2.gz VFHXNRLAOVRSLA-JOCHJYFZSA-N 0 0 457.617 4.986 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001546122841 1067812416 /nfs/dbraw/zinc/81/24/16/1067812416.db2.gz ZIEUHXZBNSFICW-UHFFFAOYSA-N 0 0 476.478 4.910 20 0 JJADRN COC[C@H](C)Oc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258054 1067812570 /nfs/dbraw/zinc/81/25/70/1067812570.db2.gz RTWXKEUIVCYMHP-BVZFJXPGSA-N 0 0 457.567 4.522 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461265081 1067814005 /nfs/dbraw/zinc/81/40/05/1067814005.db2.gz IAXDGEAPUNVGCF-CQSZACIVSA-N 0 0 459.443 4.501 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461264226 1067814180 /nfs/dbraw/zinc/81/41/80/1067814180.db2.gz KJGCFTVYWJOPML-UHFFFAOYSA-N 0 0 457.225 4.881 20 0 JJADRN O=C(/C=C/Sc1cc(F)ccc1F)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461267067 1067814368 /nfs/dbraw/zinc/81/43/68/1067814368.db2.gz QHBCUUNPTZYUIE-ZZXKWVIFSA-N 0 0 451.296 4.685 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2)cc1 ZINC001461267266 1067814492 /nfs/dbraw/zinc/81/44/92/1067814492.db2.gz XGDLPUJYZYWGAB-KRWDZBQOSA-N 0 0 455.407 4.524 20 0 JJADRN CCCCOc1ccc(C(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)cc1OC ZINC001461266859 1067814606 /nfs/dbraw/zinc/81/46/06/1067814606.db2.gz OMJFKPWNLDJANX-UHFFFAOYSA-N 0 0 459.344 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ncc3[nH]ccc3c2Br)C1 ZINC001461266887 1067814619 /nfs/dbraw/zinc/81/46/19/1067814619.db2.gz OQFZPZUGZGPPRT-CYBMUJFWSA-N 0 0 451.365 4.691 20 0 JJADRN Cc1ccccc1-n1ncc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1C(F)F ZINC001461270898 1067814806 /nfs/dbraw/zinc/81/48/06/1067814806.db2.gz QMPUKOLZXDUPCI-INIZCTEOSA-N 0 0 458.896 4.759 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1)c1ccccc1 ZINC001461272026 1067815733 /nfs/dbraw/zinc/81/57/33/1067815733.db2.gz BCABDXVHPFQVIL-DLBZAZTESA-N 0 0 450.551 4.670 20 0 JJADRN Cc1cc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C)nn1-c1ccccc1Br ZINC001461277218 1067815948 /nfs/dbraw/zinc/81/59/48/1067815948.db2.gz MADIDLNDPCNDQV-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN O=C(c1ccc(F)cc1I)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461276709 1067816247 /nfs/dbraw/zinc/81/62/47/1067816247.db2.gz YNNFWBFUWVZDLZ-GUDVDZBRSA-N 0 0 451.279 4.565 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)nc1 ZINC001461281405 1067817227 /nfs/dbraw/zinc/81/72/27/1067817227.db2.gz FTCUHIKUZHGOHR-ICSRJNTNSA-N 0 0 453.539 4.729 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)no1 ZINC001461288815 1067818857 /nfs/dbraw/zinc/81/88/57/1067818857.db2.gz UJYRHBDPWKTTHI-IYBDPMFKSA-N 0 0 456.543 4.675 20 0 JJADRN COc1ccc(SCCC(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001461288995 1067818982 /nfs/dbraw/zinc/81/89/82/1067818982.db2.gz WTQFJVMDCXNYJL-WOJBJXKFSA-N 0 0 457.592 4.873 20 0 JJADRN CN1C(=O)CCc2cc(NCc3cc(Br)ccc3OCc3ccccn3)ccc21 ZINC001461290211 1067819409 /nfs/dbraw/zinc/81/94/09/1067819409.db2.gz BCAPRFWHLMVDAT-UHFFFAOYSA-N 0 0 452.352 4.944 20 0 JJADRN O=C1[C@H](NCc2cc(C(F)(F)F)ccc2Br)CCN1CCCc1ccccc1 ZINC001461289636 1067819484 /nfs/dbraw/zinc/81/94/84/1067819484.db2.gz XPHJTGYKTTVALT-LJQANCHMSA-N 0 0 455.318 4.791 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001461291038 1067819860 /nfs/dbraw/zinc/81/98/60/1067819860.db2.gz SWBMIEHGQIMOGW-YDHSSHFGSA-N 0 0 450.579 4.925 20 0 JJADRN CC(=O)N(c1nc(CNc2cccc(Br)c2CO)cs1)c1ccc(F)cc1 ZINC001461292883 1067820219 /nfs/dbraw/zinc/82/02/19/1067820219.db2.gz XRFPGXRNRLKNTJ-UHFFFAOYSA-N 0 0 450.333 4.834 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CNc1cccc(Br)c1CO ZINC001461292163 1067820334 /nfs/dbraw/zinc/82/03/34/1067820334.db2.gz RECAXKNOAWJHCE-UHFFFAOYSA-N 0 0 451.162 4.810 20 0 JJADRN COc1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)cc(OC)c1OCC(F)F ZINC001461292478 1067820384 /nfs/dbraw/zinc/82/03/84/1067820384.db2.gz HGGMBQYTJIRUKT-UHFFFAOYSA-N 0 0 458.509 4.945 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2nccc(Br)c2Cl)c1 ZINC001461293325 1067820404 /nfs/dbraw/zinc/82/04/04/1067820404.db2.gz IYBLNBATPDAZHW-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001461292971 1067820431 /nfs/dbraw/zinc/82/04/31/1067820431.db2.gz IOANWRGTCHJHNJ-MRXNPFEDSA-N 0 0 459.152 4.718 20 0 JJADRN Cc1nnc(COc2ccc(NCc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2)o1 ZINC001461294264 1067820642 /nfs/dbraw/zinc/82/06/42/1067820642.db2.gz DTUUPMBTTYKQJM-UHFFFAOYSA-N 0 0 456.568 4.924 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)no1 ZINC001461293792 1067820771 /nfs/dbraw/zinc/82/07/71/1067820771.db2.gz CMPGGQOZNUPGEU-UHFFFAOYSA-N 0 0 451.280 4.822 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CCCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC001461297835 1067821558 /nfs/dbraw/zinc/82/15/58/1067821558.db2.gz YSQDVRNLNSDGRX-FCHUYYIVSA-N 0 0 451.563 4.857 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)c3ccccc3)ccc1Cl)CC2 ZINC001461299293 1067822003 /nfs/dbraw/zinc/82/20/03/1067822003.db2.gz CVLUJMAZZXSMSK-HSZRJFAPSA-N 0 0 454.979 4.891 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 ZINC001461298818 1067822014 /nfs/dbraw/zinc/82/20/14/1067822014.db2.gz WRAPIUBLCZMGHA-UHFFFAOYSA-N 0 0 457.353 4.877 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)N(C)c1nccc(-c2sccc2Br)n1 ZINC001461299948 1067822604 /nfs/dbraw/zinc/82/26/04/1067822604.db2.gz WHRBTSLJXJMJJW-UHFFFAOYSA-N 0 0 452.761 4.971 20 0 JJADRN COC(=O)Nc1cccc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)c1 ZINC001461304565 1067823603 /nfs/dbraw/zinc/82/36/03/1067823603.db2.gz NIPAYODFBSXMQW-UHFFFAOYSA-N 0 0 459.218 4.685 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)NC3(c4ccccc4Br)CCC3)CC2=O)c(C)c1 ZINC001461304512 1067823639 /nfs/dbraw/zinc/82/36/39/1067823639.db2.gz CEYOTNWPQASDNR-GOSISDBHSA-N 0 0 455.396 4.923 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001461307384 1067824514 /nfs/dbraw/zinc/82/45/14/1067824514.db2.gz HYPALWBHHQDPJT-FXAWDEMLSA-N 0 0 456.917 4.700 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccc4ccc(F)c(F)c4n3)nc2)CC1 ZINC001461309270 1067825194 /nfs/dbraw/zinc/82/51/94/1067825194.db2.gz QOHYBNBKAWJXTH-UHFFFAOYSA-N 0 0 455.509 4.577 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461315093 1067826454 /nfs/dbraw/zinc/82/64/54/1067826454.db2.gz IZACABDAOZIGOW-SFHVURJKSA-N 0 0 456.468 4.690 20 0 JJADRN Cc1cc(NC(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nn1-c1cccc(C(F)(F)F)c1 ZINC001461319418 1067827248 /nfs/dbraw/zinc/82/72/48/1067827248.db2.gz ZVVPNCRSVCSEHP-AOMKIAJQSA-N 0 0 464.488 4.785 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001461320304 1067827503 /nfs/dbraw/zinc/82/75/03/1067827503.db2.gz ZZCIIVXWJNVGGH-UHFFFAOYSA-N 0 0 458.624 4.915 20 0 JJADRN COc1cc(Br)c(CNCc2ccc(C)cc2OC[C@H]2CCCO2)cc1OC ZINC001461325216 1067828549 /nfs/dbraw/zinc/82/85/49/1067828549.db2.gz RICFGBJEPWOLNA-GOSISDBHSA-N 0 0 450.373 4.622 20 0 JJADRN COc1cc(Br)c(CNCc2ccc(C)cc2OC[C@@H]2CCCO2)cc1OC ZINC001461325217 1067828568 /nfs/dbraw/zinc/82/85/68/1067828568.db2.gz RICFGBJEPWOLNA-SFHVURJKSA-N 0 0 450.373 4.622 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461326847 1067828946 /nfs/dbraw/zinc/82/89/46/1067828946.db2.gz XXUUPLVLOXKZLC-MWTRTKDXSA-N 0 0 451.485 4.889 20 0 JJADRN Cc1cc(Br)c(CC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC001461326004 1067828976 /nfs/dbraw/zinc/82/89/76/1067828976.db2.gz OBEKZMHRLHIKEV-OAQYLSRUSA-N 0 0 452.414 4.777 20 0 JJADRN Cc1cc(=O)c(C(=O)NCC2(c3ccccc3F)CCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461327155 1067829651 /nfs/dbraw/zinc/82/96/51/1067829651.db2.gz FPOMJNFIPKKYQZ-UHFFFAOYSA-N 0 0 459.443 4.551 20 0 JJADRN Cc1cc(Br)c(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)s1 ZINC001461328042 1067829933 /nfs/dbraw/zinc/82/99/33/1067829933.db2.gz CAJMGZBXDZWDGT-UHFFFAOYSA-N 0 0 457.365 4.913 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001461327416 1067829967 /nfs/dbraw/zinc/82/99/67/1067829967.db2.gz DPUZYRLFCYSCDL-UHFFFAOYSA-N 0 0 459.612 4.744 20 0 JJADRN CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)c1 ZINC001461327981 1067829989 /nfs/dbraw/zinc/82/99/89/1067829989.db2.gz AQOLBQFCKIAANV-BJMVGYQFSA-N 0 0 452.308 4.648 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)c(F)c1 ZINC001461334955 1067831543 /nfs/dbraw/zinc/83/15/43/1067831543.db2.gz PASYOFJZIRHNHF-UHFFFAOYSA-N 0 0 457.329 4.852 20 0 JJADRN Cc1c(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC001461336798 1067831983 /nfs/dbraw/zinc/83/19/83/1067831983.db2.gz NDVFXNHHESPHTA-CYBMUJFWSA-N 0 0 459.775 4.794 20 0 JJADRN CCCCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@H]1CCc2ncsc2C1 ZINC001461338933 1067832778 /nfs/dbraw/zinc/83/27/78/1067832778.db2.gz MSHHOMCFIBJWJQ-RYGYDFEPSA-N 0 0 451.636 4.581 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001461347899 1067835248 /nfs/dbraw/zinc/83/52/48/1067835248.db2.gz ZVLOEHZKBKCBIJ-QHCPKHFHSA-N 0 0 453.627 4.902 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC001461346945 1067835340 /nfs/dbraw/zinc/83/53/40/1067835340.db2.gz UGRBUNISOOTDKZ-FQEVSTJZSA-N 0 0 453.514 4.670 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC001461346946 1067835586 /nfs/dbraw/zinc/83/55/86/1067835586.db2.gz UGRBUNISOOTDKZ-HXUWFJFHSA-N 0 0 453.514 4.670 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001461357582 1067837552 /nfs/dbraw/zinc/83/75/52/1067837552.db2.gz MUGQADDVDZOBLC-SUMWQHHRSA-N 0 0 458.914 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)ncc2Br)C12CCCC2 ZINC001461357879 1067837660 /nfs/dbraw/zinc/83/76/60/1067837660.db2.gz BNFFHLJJEDTAHF-CQSZACIVSA-N 0 0 458.784 4.550 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461357958 1067837720 /nfs/dbraw/zinc/83/77/20/1067837720.db2.gz BWVOZXMUADAHFS-YJBOKZPZSA-N 0 0 456.505 4.911 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(Br)cc(I)c1C ZINC001461358879 1067838243 /nfs/dbraw/zinc/83/82/43/1067838243.db2.gz IQLXDQOGMYLRID-DOTOQJQBSA-N 0 0 470.148 4.956 20 0 JJADRN Cc1cc(C(=O)N2CCc3ccccc3[C@H](C)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001461362448 1067839025 /nfs/dbraw/zinc/83/90/25/1067839025.db2.gz USMWGVYUYQTQLJ-HXUWFJFHSA-N 0 0 454.636 4.526 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@H](C)OC3(CCCC3)C2)c1 ZINC001461365549 1067839261 /nfs/dbraw/zinc/83/92/61/1067839261.db2.gz VINWHVMHMHBZIM-SFHVURJKSA-N 0 0 454.592 4.600 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC001461365548 1067839273 /nfs/dbraw/zinc/83/92/73/1067839273.db2.gz VINWHVMHMHBZIM-GOSISDBHSA-N 0 0 454.592 4.600 20 0 JJADRN CC[C@@H](OCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccccc1 ZINC001461365919 1067839704 /nfs/dbraw/zinc/83/97/04/1067839704.db2.gz OANNUIQJKLYBBO-OAQYLSRUSA-N 0 0 450.000 4.711 20 0 JJADRN CC(C)[C@H](NCc1ccc(-c2cccc(Br)c2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001461367910 1067839829 /nfs/dbraw/zinc/83/98/29/1067839829.db2.gz AMNQBSLWZPBVBV-INIZCTEOSA-N 0 0 459.373 4.833 20 0 JJADRN COc1ccc([C@H](NCc2cnc(NC(=O)OC(C)(C)C)cn2)c2ccccc2OC)cc1 ZINC001461370607 1067840085 /nfs/dbraw/zinc/84/00/85/1067840085.db2.gz NRQWJSLVWKBXJY-QHCPKHFHSA-N 0 0 450.539 4.720 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC001461370197 1067840191 /nfs/dbraw/zinc/84/01/91/1067840191.db2.gz JDHCWOOPNIEECN-HNAYVOBHSA-N 0 0 465.015 4.728 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001461370773 1067840254 /nfs/dbraw/zinc/84/02/54/1067840254.db2.gz AKOKMMCRUKMFLF-GOSISDBHSA-N 0 0 453.633 4.900 20 0 JJADRN C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)n1 ZINC001461372659 1067840590 /nfs/dbraw/zinc/84/05/90/1067840590.db2.gz OLDXXCWEQAFZKG-MLGOLLRUSA-N 0 0 452.780 4.633 20 0 JJADRN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)n1 ZINC001461374120 1067841013 /nfs/dbraw/zinc/84/10/13/1067841013.db2.gz UTQYVUZGMFVWEH-GXFFZTMASA-N 0 0 456.743 4.843 20 0 JJADRN Cc1c(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cnn1-c1ccccc1Cl ZINC001461377298 1067841481 /nfs/dbraw/zinc/84/14/81/1067841481.db2.gz CJWQGESSCMLAGW-XDHUDOTRSA-N 0 0 458.990 4.601 20 0 JJADRN O=C([C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CCN([C@H]2CCOC2)CC1 ZINC001461384781 1067843784 /nfs/dbraw/zinc/84/37/84/1067843784.db2.gz GDSKUAXNXOOZAA-GHTZIAJQSA-N 0 0 451.419 4.760 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(F)(F)F ZINC001461385092 1067843958 /nfs/dbraw/zinc/84/39/58/1067843958.db2.gz FGYZUWODFVBLPL-HXUWFJFHSA-N 0 0 459.468 4.770 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461385351 1067844113 /nfs/dbraw/zinc/84/41/13/1067844113.db2.gz JRUPKSBSGNSFNO-RBUKOAKNSA-N 0 0 464.201 4.664 20 0 JJADRN CC(C)(C)OCCCNC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001461385305 1067844181 /nfs/dbraw/zinc/84/41/81/1067844181.db2.gz JMACCFFYMLWVBR-UHFFFAOYSA-N 0 0 452.473 4.658 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461387633 1067844639 /nfs/dbraw/zinc/84/46/39/1067844639.db2.gz USEWBSPCWYDMTL-DCLXLUIPSA-N 0 0 458.624 4.598 20 0 JJADRN COc1cc(C(=O)Nc2cnc3ccccn23)ccc1OCc1ccc(Br)s1 ZINC001461387643 1067844649 /nfs/dbraw/zinc/84/46/49/1067844649.db2.gz KWZIRCRQKHGVLL-UHFFFAOYSA-N 0 0 458.337 4.998 20 0 JJADRN CC(C)(C)OCCCNC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001461388786 1067845085 /nfs/dbraw/zinc/84/50/85/1067845085.db2.gz YQZSYJKSBQCYHV-UHFFFAOYSA-N 0 0 452.502 4.950 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001461396605 1067845758 /nfs/dbraw/zinc/84/57/58/1067845758.db2.gz JVGUASCFCVNJEO-OAQYLSRUSA-N 0 0 456.608 4.563 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc2c1O[C@@H](C)C2 ZINC001461396415 1067845948 /nfs/dbraw/zinc/84/59/48/1067845948.db2.gz HHXSDYGFQWNHDX-JXFKEZNVSA-N 0 0 452.551 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3cc(Br)ccc3F)cc2C1 ZINC001461401562 1067846768 /nfs/dbraw/zinc/84/67/68/1067846768.db2.gz YLRPJOUQQNDNLH-INIZCTEOSA-N 0 0 450.352 4.977 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCc3ccc(C(C)C)cc3C2)CC1 ZINC001461403193 1067847282 /nfs/dbraw/zinc/84/72/82/1067847282.db2.gz AAZQHXVKWXOENP-UHFFFAOYSA-N 0 0 454.998 4.909 20 0 JJADRN O=C(c1cccc(OCc2cccnc2)c1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001461414480 1067849941 /nfs/dbraw/zinc/84/99/41/1067849941.db2.gz VTSURGMNSAWOSQ-QFIPXVFZSA-N 0 0 453.336 4.637 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001461414083 1067850032 /nfs/dbraw/zinc/85/00/32/1067850032.db2.gz BFSZBIDSNCGJAG-GWJPWWOOSA-N 0 0 454.533 4.794 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1ccc(-c2cccs2)cc1 ZINC001461415220 1067850387 /nfs/dbraw/zinc/85/03/87/1067850387.db2.gz AXXNCZQEYAKMCH-UHFFFAOYSA-N 0 0 459.497 4.737 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCOC[C@H]3c3ccc(Br)cc3)sc21 ZINC001461414992 1067850414 /nfs/dbraw/zinc/85/04/14/1067850414.db2.gz WZSKSCQKHDYROA-ZDUSSCGKSA-N 0 0 456.312 4.549 20 0 JJADRN CC(C)CN1C[C@H](C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)CC1=O ZINC001461415144 1067850453 /nfs/dbraw/zinc/85/04/53/1067850453.db2.gz XSTJSYRZBAXTDT-MEBBXXQBSA-N 0 0 456.686 4.754 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001461416902 1067850912 /nfs/dbraw/zinc/85/09/12/1067850912.db2.gz PFROFMQGDCRPLD-HXOBKFHXSA-N 0 0 454.533 4.984 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001461417415 1067851116 /nfs/dbraw/zinc/85/11/16/1067851116.db2.gz SKVCMGPOKYREGC-QFBILLFUSA-N 0 0 452.439 4.783 20 0 JJADRN CC(C)(C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461419083 1067851894 /nfs/dbraw/zinc/85/18/94/1067851894.db2.gz NFEMIGRKNRHOJD-IUODEOHRSA-N 0 0 452.407 4.522 20 0 JJADRN O=C(Nc1ccc(I)cc1F)c1csc(Cc2cccc(F)c2)n1 ZINC001461420624 1067852763 /nfs/dbraw/zinc/85/27/63/1067852763.db2.gz HFXUZXYDBCUJOI-UHFFFAOYSA-N 0 0 456.255 4.869 20 0 JJADRN CCCc1c(NCc2cccc(F)c2I)cnn1-c1cc(C)ccn1 ZINC001461421517 1067852770 /nfs/dbraw/zinc/85/27/70/1067852770.db2.gz WGDYRJIYMYGTMU-UHFFFAOYSA-N 0 0 450.299 4.884 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)Nc1ccc(I)cc1F ZINC001461422459 1067853073 /nfs/dbraw/zinc/85/30/73/1067853073.db2.gz YFFZESVRWZXYNK-UHFFFAOYSA-N 0 0 455.601 4.823 20 0 JJADRN COc1c(Br)cc(CNc2ccc(-c3ncn(C)n3)cc2)cc1Br ZINC001461429268 1067853938 /nfs/dbraw/zinc/85/39/38/1067853938.db2.gz ZPDWXFOUPSDUMH-UHFFFAOYSA-N 0 0 452.150 4.628 20 0 JJADRN COc1ccc(SCCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1OC ZINC001461432194 1067854789 /nfs/dbraw/zinc/85/47/89/1067854789.db2.gz PWZFEFFJJNWPCA-OYHNWAKOSA-N 0 0 480.424 4.937 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n1 ZINC001461439795 1067856745 /nfs/dbraw/zinc/85/67/45/1067856745.db2.gz ASRKOMLRSJCEMJ-HSZRJFAPSA-N 0 0 457.534 4.892 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n1 ZINC001461440127 1067857349 /nfs/dbraw/zinc/85/73/49/1067857349.db2.gz COPQHTQCGLGVKY-UTKZUKDTSA-N 0 0 450.539 4.584 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CCCC1 ZINC001546124337 1067857751 /nfs/dbraw/zinc/85/77/51/1067857751.db2.gz SRLPLFGFFLWEFL-GOSISDBHSA-N 0 0 474.049 4.836 20 0 JJADRN COC(=O)[C@@]1(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H](C)CC1 ZINC001461446795 1067858549 /nfs/dbraw/zinc/85/85/49/1067858549.db2.gz YAKJEDFFIOHZAU-DOQJBMMISA-N 0 0 450.988 4.855 20 0 JJADRN CCOc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001461448219 1067859077 /nfs/dbraw/zinc/85/90/77/1067859077.db2.gz UYSSFMNYOMCUOJ-UHFFFAOYSA-N 0 0 459.608 4.527 20 0 JJADRN O=C(c1csc(C2CCCCC2)n1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447452 1067859208 /nfs/dbraw/zinc/85/92/08/1067859208.db2.gz MGAHFSVFWSFHIV-AEFFLSMTSA-N 0 0 457.562 4.986 20 0 JJADRN COCCN1C(=O)CCc2cc(NCc3c(C)nn(Cc4ccccc4Cl)c3C)ccc21 ZINC001461447613 1067859211 /nfs/dbraw/zinc/85/92/11/1067859211.db2.gz KXDBBZUDCZPDTP-UHFFFAOYSA-N 0 0 452.986 4.739 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1F)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461450433 1067859536 /nfs/dbraw/zinc/85/95/36/1067859536.db2.gz WMAASKLOFOCHGU-IAQYHMDHSA-N 0 0 455.279 4.928 20 0 JJADRN Cc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1C ZINC001461450797 1067859863 /nfs/dbraw/zinc/85/98/63/1067859863.db2.gz ZNOBTDRDQZPRBA-FQEVSTJZSA-N 0 0 457.412 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001461453477 1067860761 /nfs/dbraw/zinc/86/07/61/1067860761.db2.gz CCBUNDOLEQSQPI-OXJNMPFZSA-N 0 0 455.418 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001461453480 1067860831 /nfs/dbraw/zinc/86/08/31/1067860831.db2.gz CCBUNDOLEQSQPI-OXQOHEQNSA-N 0 0 455.418 4.643 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3nc(Br)cc4ccccc43)CCC2=O)cc1C ZINC001461457134 1067861263 /nfs/dbraw/zinc/86/12/63/1067861263.db2.gz WUKHMRSGNKIJKD-QGZVFWFLSA-N 0 0 452.352 4.996 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)CCCOc2ccc(C)cc2Cl)nn1C ZINC001461466413 1067864036 /nfs/dbraw/zinc/86/40/36/1067864036.db2.gz OXAMUDSXTBXYSJ-UHFFFAOYSA-N 0 0 450.967 4.513 20 0 JJADRN O=C(N[C@H]1CSCc2ccc(Br)cc21)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001461467786 1067864389 /nfs/dbraw/zinc/86/43/89/1067864389.db2.gz PZFRQDGPHZEHQY-SFHVURJKSA-N 0 0 450.308 4.631 20 0 JJADRN CCc1nc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)nn1-c1ccccc1Cl ZINC001461467502 1067864549 /nfs/dbraw/zinc/86/45/49/1067864549.db2.gz BQYXXWIVXHRZOG-HSZRJFAPSA-N 0 0 459.377 4.658 20 0 JJADRN CCSCc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)no1 ZINC001461470193 1067865213 /nfs/dbraw/zinc/86/52/13/1067865213.db2.gz YLIVZANSKBPTTP-UYAOXDASSA-N 0 0 463.575 4.590 20 0 JJADRN CC(C)Oc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cn1 ZINC001461472412 1067866612 /nfs/dbraw/zinc/86/66/12/1067866612.db2.gz ALKXEAYVBYSOII-NHCUHLMSSA-N 0 0 457.546 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001461473367 1067866896 /nfs/dbraw/zinc/86/68/96/1067866896.db2.gz UIUOUIUJMWSBKS-DHIUTWEWSA-N 0 0 468.569 4.603 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)nc1 ZINC001461476104 1067868383 /nfs/dbraw/zinc/86/83/83/1067868383.db2.gz GGUQOTDNRHKBSP-UHFFFAOYSA-N 0 0 450.442 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2SCCc3sccc32)C1 ZINC001461476815 1067868798 /nfs/dbraw/zinc/86/87/98/1067868798.db2.gz KFYSQUNODLJXGQ-YFVAEKQCSA-N 0 0 458.649 4.988 20 0 JJADRN CO[C@](C)(CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)COCc1ccccc1 ZINC001461478912 1067869729 /nfs/dbraw/zinc/86/97/29/1067869729.db2.gz WPPVJOFPELJXKG-OAQYLSRUSA-N 0 0 452.498 4.975 20 0 JJADRN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)CCO1 ZINC001461478499 1067869740 /nfs/dbraw/zinc/86/97/40/1067869740.db2.gz QXXFZHLGJABGPM-AZOUXBGGSA-N 0 0 474.642 4.890 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1ccc(Br)cc1SC)(C1CCC1)C(F)(F)F ZINC001461479596 1067870335 /nfs/dbraw/zinc/87/03/35/1067870335.db2.gz YAGSPOKRJGRCEN-MRXNPFEDSA-N 0 0 454.308 4.565 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461479386 1067870492 /nfs/dbraw/zinc/87/04/92/1067870492.db2.gz UGNDHPIJUAPJIM-YIFZBPKDSA-N 0 0 478.511 4.781 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001461479336 1067870518 /nfs/dbraw/zinc/87/05/18/1067870518.db2.gz HGZULSFQNLSGDH-CLWJZODNSA-N 0 0 452.542 4.664 20 0 JJADRN COc1cccc(SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1 ZINC001461481438 1067870892 /nfs/dbraw/zinc/87/08/92/1067870892.db2.gz XUSJNUNXDAGUSD-FGZHOGPDSA-N 0 0 474.598 4.836 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H]2CCO[C@H](CC)C2)cc1 ZINC001461481630 1067871265 /nfs/dbraw/zinc/87/12/65/1067871265.db2.gz ZVSHGHJSDFEPRQ-ZXMXYHOLSA-N 0 0 474.642 4.890 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC001461483820 1067871879 /nfs/dbraw/zinc/87/18/79/1067871879.db2.gz AZEDHYGOSARHOD-UHFFFAOYSA-N 0 0 450.626 4.799 20 0 JJADRN O=S(=O)(c1cccc(NCc2c(F)ccc(Br)c2F)c1)N1CCCCCC1 ZINC001461484924 1067872053 /nfs/dbraw/zinc/87/20/53/1067872053.db2.gz KMRPAQCBDCGCPZ-UHFFFAOYSA-N 0 0 459.356 4.904 20 0 JJADRN O=C(c1cc(Br)cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1)N1CCCC1 ZINC001461484504 1067872127 /nfs/dbraw/zinc/87/21/27/1067872127.db2.gz OPHOXVNLRSTBCC-QFIPXVFZSA-N 0 0 459.384 4.855 20 0 JJADRN NS(=O)(=O)c1cccc(NCc2ccccc2Oc2ccc(Br)cc2F)c1 ZINC001461486990 1067872619 /nfs/dbraw/zinc/87/26/19/1067872619.db2.gz SSSIBUMJMUUNKS-UHFFFAOYSA-N 0 0 451.317 4.640 20 0 JJADRN CC(=O)NCc1ccc(CNC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC001461488743 1067873658 /nfs/dbraw/zinc/87/36/58/1067873658.db2.gz BZISTGKOYJMDKV-OAHLLOKOSA-N 0 0 457.983 4.569 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001461489761 1067874219 /nfs/dbraw/zinc/87/42/19/1067874219.db2.gz HZPOBFIPDNVTGI-KRWDZBQOSA-N 0 0 459.612 4.673 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC001461490757 1067874422 /nfs/dbraw/zinc/87/44/22/1067874422.db2.gz MUOXNRWAHMSBJE-OAHLLOKOSA-N 0 0 452.502 4.580 20 0 JJADRN CCOc1ccc(Cl)cc1CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC ZINC001461492551 1067875093 /nfs/dbraw/zinc/87/50/93/1067875093.db2.gz GIOABYJKQFHTEO-UHFFFAOYSA-N 0 0 453.004 4.924 20 0 JJADRN CCOc1ccc(NCc2ccccc2Br)cc1S(=O)(=O)N1CCCCC1 ZINC001461492798 1067875172 /nfs/dbraw/zinc/87/51/72/1067875172.db2.gz LDBJZHIQEJUVLS-UHFFFAOYSA-N 0 0 453.402 4.635 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)cc2Br)c2ccccc2)cc1 ZINC001461496742 1067875807 /nfs/dbraw/zinc/87/58/07/1067875807.db2.gz PWOJEGALOQQANC-JOCHJYFZSA-N 0 0 456.336 4.994 20 0 JJADRN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001461498211 1067876860 /nfs/dbraw/zinc/87/68/60/1067876860.db2.gz YHOSKEJESHNFBS-UHFFFAOYSA-N 0 0 458.486 4.545 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001461500804 1067877326 /nfs/dbraw/zinc/87/73/26/1067877326.db2.gz CSXSORYKYPPXJZ-VWLOTQADSA-N 0 0 452.002 4.716 20 0 JJADRN COc1cc(OC(=O)c2cc3ccc(Br)cc3c(=O)o2)ccc1Br ZINC001461502575 1067877578 /nfs/dbraw/zinc/87/75/78/1067877578.db2.gz DVAXCDCNBPJJKM-UHFFFAOYSA-N 0 0 454.070 4.546 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl)C[C@H]1CCCO1 ZINC001461502387 1067877599 /nfs/dbraw/zinc/87/75/99/1067877599.db2.gz HBVNULUAIKHMLZ-NTKDMRAZSA-N 0 0 451.007 4.680 20 0 JJADRN COc1cc(OC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)ccc1Br ZINC001461506663 1067878759 /nfs/dbraw/zinc/87/87/59/1067878759.db2.gz YYMLTMBOBIQLKF-UHFFFAOYSA-N 0 0 457.111 4.873 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001461511734 1067879683 /nfs/dbraw/zinc/87/96/83/1067879683.db2.gz AWRMHKLGJIISKF-SFHVURJKSA-N 0 0 454.949 4.628 20 0 JJADRN CCOc1cc(CNc2ccc3c(C)nn(C)c3c2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC001461520824 1067880592 /nfs/dbraw/zinc/88/05/92/1067880592.db2.gz JFRAFGJUUAKIQO-UHFFFAOYSA-N 0 0 452.599 4.917 20 0 JJADRN Cn1ccc(C(=O)NCc2cc(Cl)ccc2I)c1-c1ccccc1 ZINC001461530545 1067882366 /nfs/dbraw/zinc/88/23/66/1067882366.db2.gz UUHDBVXTMOKAIA-UHFFFAOYSA-N 0 0 450.707 4.880 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)CC(=O)N2C(C)(C)C)cn1 ZINC001461539630 1067884139 /nfs/dbraw/zinc/88/41/39/1067884139.db2.gz HWKUEUOWEVOGJV-SUEODLQOSA-N 0 0 480.609 4.805 20 0 JJADRN Cc1ccc(SC2(C(=O)NC[C@H]3CC(=O)N(C(C)(C)C)[C@@H]3c3cnn(C)c3)CCCC2)cc1 ZINC001461543827 1067885303 /nfs/dbraw/zinc/88/53/03/1067885303.db2.gz ZMXVGPVQLZDKTJ-XXBNENTESA-N 0 0 468.667 4.638 20 0 JJADRN CCOc1c(Br)cc(Br)cc1CNc1cccc2c1OCC(=O)N2 ZINC001461548249 1067886088 /nfs/dbraw/zinc/88/60/88/1067886088.db2.gz CKSWLZNFZLBYTF-UHFFFAOYSA-N 0 0 456.134 4.553 20 0 JJADRN C[C@H](CC(=O)Nc1nccc(F)c1I)c1ccccc1C(F)(F)F ZINC001461550178 1067886131 /nfs/dbraw/zinc/88/61/31/1067886131.db2.gz QLRJOAUTOPMWBX-SECBINFHSA-N 0 0 452.189 4.976 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2cnn3ccccc23)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461548469 1067886150 /nfs/dbraw/zinc/88/61/50/1067886150.db2.gz HDTPHDYEBOXJMN-UHFFFAOYSA-N 0 0 454.408 4.623 20 0 JJADRN O=C(Nc1ncc(F)cc1Br)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001461546762 1067886260 /nfs/dbraw/zinc/88/62/60/1067886260.db2.gz CUXSBWAMFVRKPB-OAHLLOKOSA-N 0 0 456.315 4.627 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1cccc(OC)c1C ZINC001461549917 1067886318 /nfs/dbraw/zinc/88/63/18/1067886318.db2.gz RBDWBHLKEWHMMK-UHFFFAOYSA-N 0 0 459.498 4.556 20 0 JJADRN COc1cc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCc1cccs1 ZINC001461551009 1067886614 /nfs/dbraw/zinc/88/66/14/1067886614.db2.gz LDTMCRSPTPIGGC-UHFFFAOYSA-N 0 0 458.605 4.732 20 0 JJADRN COc1cc(C(=O)Nc2cnn(C)c2Cl)ccc1OCc1ccc(Br)s1 ZINC001461559982 1067887879 /nfs/dbraw/zinc/88/78/79/1067887879.db2.gz RPLHKCVUFFMJJC-UHFFFAOYSA-N 0 0 456.749 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001461561884 1067888384 /nfs/dbraw/zinc/88/83/84/1067888384.db2.gz ZKGRQELOSFNLQD-GOTSBHOMSA-N 0 0 451.611 4.834 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001461561283 1067888455 /nfs/dbraw/zinc/88/84/55/1067888455.db2.gz OVSQAKUZWXFUFF-YSVRNHBLSA-N 0 0 455.502 4.552 20 0 JJADRN COc1ccc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1OC ZINC001461561295 1067888534 /nfs/dbraw/zinc/88/85/34/1067888534.db2.gz RWWLSMAJALDGCV-UHFFFAOYSA-N 0 0 459.395 4.797 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NCc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001461563318 1067889354 /nfs/dbraw/zinc/88/93/54/1067889354.db2.gz GPLFVLKCKSOJOA-KDURUIRLSA-N 0 0 453.583 4.573 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)(C1CC1)C(F)(F)F ZINC001461564206 1067889947 /nfs/dbraw/zinc/88/99/47/1067889947.db2.gz KFFLMWBMUCEXDD-OAQYLSRUSA-N 0 0 455.860 4.923 20 0 JJADRN O=C(Nc1cccc(Br)c1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001461567407 1067890393 /nfs/dbraw/zinc/89/03/93/1067890393.db2.gz BLKVCSKRMJDVBZ-UHFFFAOYSA-N 0 0 453.267 4.637 20 0 JJADRN Cc1oc(C(=O)Nc2cccc(Br)c2F)cc1CN1C(=O)c2ccccc2C1=O ZINC001461569358 1067890838 /nfs/dbraw/zinc/89/08/38/1067890838.db2.gz BQAQRMKZCGURCQ-UHFFFAOYSA-N 0 0 457.255 4.538 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001461576594 1067892191 /nfs/dbraw/zinc/89/21/91/1067892191.db2.gz QAYOEZSQQNRBNB-SFHVURJKSA-N 0 0 456.612 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(F)(F)c2cccc(Br)c2)C12CCC2 ZINC001461581597 1067893537 /nfs/dbraw/zinc/89/35/37/1067893537.db2.gz YLFAGGJXZOGEHQ-OAHLLOKOSA-N 0 0 459.331 4.589 20 0 JJADRN CCOc1cccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)n1 ZINC001461584515 1067894472 /nfs/dbraw/zinc/89/44/72/1067894472.db2.gz NLRJSEHXYLRIQP-UHFFFAOYSA-N 0 0 459.502 4.974 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC001461585417 1067894491 /nfs/dbraw/zinc/89/44/91/1067894491.db2.gz XKKCZJKIEGOIPB-SANMLTNESA-N 0 0 456.542 4.562 20 0 JJADRN CCC(=O)c1ccc(NC(=O)c2ccc(Br)cc2I)cc1 ZINC001461586795 1067895107 /nfs/dbraw/zinc/89/51/07/1067895107.db2.gz VQWJLLNFYKTRIE-UHFFFAOYSA-N 0 0 458.093 4.899 20 0 JJADRN COc1cc(F)c(Br)cc1NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC001461587571 1067895130 /nfs/dbraw/zinc/89/51/30/1067895130.db2.gz HZJSGUNRZSMKGC-UHFFFAOYSA-N 0 0 450.251 4.870 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](CCOC)C2)CCOCC1 ZINC001546125578 1067895447 /nfs/dbraw/zinc/89/54/47/1067895447.db2.gz HEYOWDFMMXIAIN-VQTJNVASSA-N 0 0 460.594 4.627 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001461596342 1067897397 /nfs/dbraw/zinc/89/73/97/1067897397.db2.gz IQWQEGFODQRKJK-CQSZACIVSA-N 0 0 450.288 4.896 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C(=O)OC)CC2)CCCC1 ZINC001546125617 1067897601 /nfs/dbraw/zinc/89/76/01/1067897601.db2.gz HYFBAMRZILPZLQ-SFHVURJKSA-N 0 0 458.578 4.917 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@H](C)O1 ZINC001461607406 1067900395 /nfs/dbraw/zinc/90/03/95/1067900395.db2.gz KRAMKUGAYPOMLS-SJORKVTESA-N 0 0 454.368 4.941 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC001461605835 1067900488 /nfs/dbraw/zinc/90/04/88/1067900488.db2.gz TUYQAYVSNAHEOQ-UHFFFAOYSA-N 0 0 452.986 4.908 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@H](OC)C2)CCOCC1 ZINC001546125718 1067901849 /nfs/dbraw/zinc/90/18/49/1067901849.db2.gz JUDFKRORPYHOBK-VXKWHMMOSA-N 0 0 456.631 4.857 20 0 JJADRN C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612814 1067901854 /nfs/dbraw/zinc/90/18/54/1067901854.db2.gz LTRCXBGZHQUURU-NZQKXSOJSA-N 0 0 456.030 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC001461618885 1067902887 /nfs/dbraw/zinc/90/28/87/1067902887.db2.gz WLDDDZPVBYUHMW-RJGXRXQPSA-N 0 0 456.627 4.883 20 0 JJADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccc(C)c2)CCCC1 ZINC001546125790 1067903350 /nfs/dbraw/zinc/90/33/50/1067903350.db2.gz LFNRTIPXQKJVQF-PZJWPPBQSA-N 0 0 459.660 4.509 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(Br)c2ncccc12 ZINC001461623511 1067903656 /nfs/dbraw/zinc/90/36/56/1067903656.db2.gz AEYXKCIFEMLPEV-UHFFFAOYSA-N 0 0 455.230 4.956 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c1 ZINC001461626231 1067904398 /nfs/dbraw/zinc/90/43/98/1067904398.db2.gz GLIXVLVTCXJXNI-OAQYLSRUSA-N 0 0 455.396 4.501 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2ccc(Br)c3ncccc23)cc1 ZINC001461628262 1067905219 /nfs/dbraw/zinc/90/52/19/1067905219.db2.gz WGUUOQMPDMBAFC-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001461628769 1067905225 /nfs/dbraw/zinc/90/52/25/1067905225.db2.gz MGYHALRWMNSPAP-UHFFFAOYSA-N 0 0 452.761 4.869 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632864 1067906097 /nfs/dbraw/zinc/90/60/97/1067906097.db2.gz MPGXXVKPSHWTHH-QZTJIDSGSA-N 0 0 456.505 4.738 20 0 JJADRN Cc1c(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2C)nnn1Cc1ccc(F)cc1F ZINC001461634711 1067906339 /nfs/dbraw/zinc/90/63/39/1067906339.db2.gz MCNGJIHZGSEPIK-UHFFFAOYSA-N 0 0 457.481 4.821 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1ccn(-c3cccc(F)c3)n1)CCC2 ZINC001461634256 1067906463 /nfs/dbraw/zinc/90/64/63/1067906463.db2.gz OSAKXNRVXMBURX-UHFFFAOYSA-N 0 0 450.514 4.629 20 0 JJADRN COc1ccc(-c2n[nH]cc2CNCc2cc(Cl)ccc2I)cc1 ZINC001461635312 1067906470 /nfs/dbraw/zinc/90/64/70/1067906470.db2.gz XLLGTXZEMFCIML-UHFFFAOYSA-N 0 0 453.711 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(CNc3ccc(-n4ccccc4=O)cc3F)cc2C1 ZINC001461636956 1067906775 /nfs/dbraw/zinc/90/67/75/1067906775.db2.gz XPMFDRFFHUMBPP-UHFFFAOYSA-N 0 0 455.555 4.943 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1Cl ZINC001461636558 1067906915 /nfs/dbraw/zinc/90/69/15/1067906915.db2.gz BPTKWVSONVMTFY-UHFFFAOYSA-N 0 0 451.285 4.876 20 0 JJADRN C[C@H](NCc1ncc(I)s1)c1cc(F)c(Br)cc1F ZINC001461639869 1067907671 /nfs/dbraw/zinc/90/76/71/1067907671.db2.gz BBZXXOSOLPFPEP-LURJTMIESA-N 0 0 459.097 4.639 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)C(C)C)CC2)CCC1 ZINC001546125929 1067908032 /nfs/dbraw/zinc/90/80/32/1067908032.db2.gz NTJVECVLWLDPCF-QFIPXVFZSA-N 0 0 467.658 4.920 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001461642810 1067908039 /nfs/dbraw/zinc/90/80/39/1067908039.db2.gz UILJQIVYJZZKGJ-UHFFFAOYSA-N 0 0 451.308 4.866 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001461650167 1067909817 /nfs/dbraw/zinc/90/98/17/1067909817.db2.gz FBADGMMKCTVKBR-BEFAXECRSA-N 0 0 480.531 4.965 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@H](C)c1cc(F)c(Br)cc1F)N1Cc2ccccc2C1=O ZINC001461654916 1067911239 /nfs/dbraw/zinc/91/12/39/1067911239.db2.gz IOKCXONNXQOJQX-BLVKFPJESA-N 0 0 451.311 4.585 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)nnn1-c1cccc(C(C)C)c1 ZINC001461656801 1067911730 /nfs/dbraw/zinc/91/17/30/1067911730.db2.gz IRFYIDQRERTCOR-LEWJYISDSA-N 0 0 469.630 4.861 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001461659555 1067912195 /nfs/dbraw/zinc/91/21/95/1067912195.db2.gz UOYKDWUHBRINDR-HXUWFJFHSA-N 0 0 452.599 4.562 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CCN1C(=O)OC(C)(C)C ZINC001461660020 1067912203 /nfs/dbraw/zinc/91/22/03/1067912203.db2.gz SPCMGEFSIJRKTI-LEWJYISDSA-N 0 0 452.599 4.577 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nn1-c1ccc(Br)cc1 ZINC001461660441 1067912464 /nfs/dbraw/zinc/91/24/64/1067912464.db2.gz MXIHRDWKBARXTC-VQIMIIECSA-N 0 0 480.284 4.608 20 0 JJADRN Cn1cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(-c2ccco2)n1 ZINC001461664252 1067913514 /nfs/dbraw/zinc/91/35/14/1067913514.db2.gz AEPFBPLXEMXJCP-UHFFFAOYSA-N 0 0 453.852 4.602 20 0 JJADRN OCC[C@H](NCc1cccc(F)c1I)c1cc(Cl)cc(Cl)c1 ZINC001461665712 1067913800 /nfs/dbraw/zinc/91/38/00/1067913800.db2.gz BRXQKXOQPUBAEV-HNNXBMFYSA-N 0 0 454.110 4.950 20 0 JJADRN Cc1cc(CNc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)ccc1Br ZINC001461665145 1067913843 /nfs/dbraw/zinc/91/38/43/1067913843.db2.gz AAIGFKKWIQEHEH-OAHLLOKOSA-N 0 0 454.206 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3ccccc3)ccc1Cl)O2 ZINC001461672508 1067914945 /nfs/dbraw/zinc/91/49/45/1067914945.db2.gz VQGVBNUGXSQIHD-LJQANCHMSA-N 0 0 456.970 4.905 20 0 JJADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C)cc3)CC2)CCCC1 ZINC001546126144 1067914961 /nfs/dbraw/zinc/91/49/61/1067914961.db2.gz RNJABWCSVLIVST-JOCHJYFZSA-N 0 0 455.647 4.608 20 0 JJADRN CS(=O)(=O)Nc1cccc(CNc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)c1 ZINC001461680034 1067917039 /nfs/dbraw/zinc/91/70/39/1067917039.db2.gz AZQKJUNUVKMCKC-UHFFFAOYSA-N 0 0 450.486 4.752 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001461681320 1067917403 /nfs/dbraw/zinc/91/74/03/1067917403.db2.gz BRRGGUZFPTVBFM-VFCRVFHLSA-N 0 0 457.983 4.599 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC001461684189 1067917816 /nfs/dbraw/zinc/91/78/16/1067917816.db2.gz HHXRGLQQDXURBQ-SFHVURJKSA-N 0 0 454.552 4.881 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CCOCC1 ZINC001546126302 1067918642 /nfs/dbraw/zinc/91/86/42/1067918642.db2.gz UVLGJAJSWZUOQB-MOPGFXCFSA-N 0 0 492.064 4.595 20 0 JJADRN CCOc1cncc(COC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 ZINC001461688792 1067918664 /nfs/dbraw/zinc/91/86/64/1067918664.db2.gz KDPPLLGLGGMFFY-OAHLLOKOSA-N 0 0 453.320 4.787 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2nnc(C(C)C)s2)c1 ZINC001461690769 1067919042 /nfs/dbraw/zinc/91/90/42/1067919042.db2.gz LWFNOFUEGQKCSK-UHFFFAOYSA-N 0 0 457.577 4.758 20 0 JJADRN CC(C)c1nnc(COC(=O)CCc2cc(Br)c(Br)s2)s1 ZINC001461692049 1067919083 /nfs/dbraw/zinc/91/90/83/1067919083.db2.gz OBLZQVZDOHYIGN-UHFFFAOYSA-N 0 0 454.209 4.924 20 0 JJADRN CC(C)N(C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccc(F)c1 ZINC001461691292 1067919132 /nfs/dbraw/zinc/91/91/32/1067919132.db2.gz LVNWXNUAXQRVAT-UHFFFAOYSA-N 0 0 458.580 4.689 20 0 JJADRN CCc1nnc(COC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)s1 ZINC001461692169 1067919141 /nfs/dbraw/zinc/91/91/41/1067919141.db2.gz PBLIVQCXYQCPMH-GOSISDBHSA-N 0 0 451.317 4.866 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N[C@@H]1CCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001461690526 1067919178 /nfs/dbraw/zinc/91/91/78/1067919178.db2.gz RFYPPHGEJRGTTN-QFQXNSOFSA-N 0 0 450.535 4.617 20 0 JJADRN CCc1nnc(COC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)s1 ZINC001461692170 1067919702 /nfs/dbraw/zinc/91/97/02/1067919702.db2.gz PBLIVQCXYQCPMH-SFHVURJKSA-N 0 0 451.317 4.866 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001461693940 1067919961 /nfs/dbraw/zinc/91/99/61/1067919961.db2.gz OCMYEMNKRVNHED-RTBURBONSA-N 0 0 457.452 4.831 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001461699011 1067920863 /nfs/dbraw/zinc/92/08/63/1067920863.db2.gz KKSGCRHCWHHVEI-RTBURBONSA-N 0 0 459.587 4.927 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001461697494 1067920867 /nfs/dbraw/zinc/92/08/67/1067920867.db2.gz APISLCRBRSHFCW-XPNTWCBSSA-N 0 0 456.558 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001461700079 1067921277 /nfs/dbraw/zinc/92/12/77/1067921277.db2.gz PIYZZYUACBQAEI-UEQSERJNSA-N 0 0 468.569 4.833 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001461702516 1067921456 /nfs/dbraw/zinc/92/14/56/1067921456.db2.gz OWUTZFZFNBTIDR-IAGOWNOFSA-N 0 0 471.957 4.764 20 0 JJADRN CSc1cc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)ccn1 ZINC001461701232 1067921517 /nfs/dbraw/zinc/92/15/17/1067921517.db2.gz ACBICMVMYJKFDH-UHFFFAOYSA-N 0 0 453.545 4.515 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001461707019 1067922285 /nfs/dbraw/zinc/92/22/85/1067922285.db2.gz UFXGCAPBKHYMQX-JOCHJYFZSA-N 0 0 451.954 4.666 20 0 JJADRN C[C@@H]1c2ccccc2OCCN1C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001461705451 1067922293 /nfs/dbraw/zinc/92/22/93/1067922293.db2.gz MZELFORUKYRKSI-QGZVFWFLSA-N 0 0 453.585 4.837 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)OC)CC2)CCC1 ZINC001546126427 1067922388 /nfs/dbraw/zinc/92/23/88/1067922388.db2.gz WXPBKLKMZDFOPK-HXUWFJFHSA-N 0 0 455.603 4.504 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC001461713846 1067923586 /nfs/dbraw/zinc/92/35/86/1067923586.db2.gz KSVRLQBJBWUWRU-IBGZPJMESA-N 0 0 450.398 4.830 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC001461713868 1067923661 /nfs/dbraw/zinc/92/36/61/1067923661.db2.gz KSVRLQBJBWUWRU-LJQANCHMSA-N 0 0 450.398 4.830 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC001461714373 1067923710 /nfs/dbraw/zinc/92/37/10/1067923710.db2.gz CRCUDGJPZNODKE-IBGZPJMESA-N 0 0 454.368 4.671 20 0 JJADRN COc1cc2ccc(NC(=O)c3nc(CNC(=O)OC(C)(C)C)sc3C)cc2cc1OC ZINC001461716188 1067923983 /nfs/dbraw/zinc/92/39/83/1067923983.db2.gz DGMQOPRUUBBUMD-UHFFFAOYSA-N 0 0 457.552 4.899 20 0 JJADRN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1cc(Br)cc2cccnc21 ZINC001461720857 1067925174 /nfs/dbraw/zinc/92/51/74/1067925174.db2.gz SPLXXMDZQNSIJJ-HXUWFJFHSA-N 0 0 455.352 4.623 20 0 JJADRN C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC001461720734 1067925243 /nfs/dbraw/zinc/92/52/43/1067925243.db2.gz MRWZYSFUKQHRKR-IBGZPJMESA-N 0 0 457.542 4.885 20 0 JJADRN CCCCS(=O)(=O)N1CCC(C(=O)O[C@@H](c2ccc3ccccc3c2)C(F)(F)F)CC1 ZINC001461723749 1067925606 /nfs/dbraw/zinc/92/56/06/1067925606.db2.gz QMVGGMJKEZOVIW-FQEVSTJZSA-N 0 0 457.514 4.828 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)Nc3nc(C4(C)CC4)ns3)ccc21 ZINC001461723187 1067925894 /nfs/dbraw/zinc/92/58/94/1067925894.db2.gz KGTNCBOQUMEMPJ-UHFFFAOYSA-N 0 0 455.584 4.711 20 0 JJADRN O=C(N[C@@H]1CCCCc2cc(Br)ccc21)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001461722753 1067925943 /nfs/dbraw/zinc/92/59/43/1067925943.db2.gz ZNXMFJUVSZHMOB-QGZVFWFLSA-N 0 0 458.324 4.643 20 0 JJADRN NC(=O)c1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1N1CCCCC1 ZINC001461724774 1067926315 /nfs/dbraw/zinc/92/63/15/1067926315.db2.gz RELHEUFLHCAGSE-UHFFFAOYSA-N 0 0 457.500 4.652 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001461734664 1067927408 /nfs/dbraw/zinc/92/74/08/1067927408.db2.gz IAAUGQUCEKZULZ-UHFFFAOYSA-N 0 0 459.468 4.726 20 0 JJADRN CC(C)(C)N(Cc1ccc(Br)cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC001461741956 1067928936 /nfs/dbraw/zinc/92/89/36/1067928936.db2.gz OUODMFSRWLBLMS-UHFFFAOYSA-N 0 0 450.421 4.504 20 0 JJADRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(I)c(Cl)c1 ZINC001461742932 1067929172 /nfs/dbraw/zinc/92/91/72/1067929172.db2.gz YIGNCVADVKPBHK-GQCTYLIASA-N 0 0 457.680 4.812 20 0 JJADRN O=S(=O)(NCC(F)(F)F)c1ccc(NCc2cccc(Cl)c2Br)cc1 ZINC001461743239 1067929241 /nfs/dbraw/zinc/92/92/41/1067929241.db2.gz GTOUPZQKIAUION-UHFFFAOYSA-N 0 0 457.699 4.555 20 0 JJADRN Cc1c(Br)cncc1CNc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001461744264 1067929498 /nfs/dbraw/zinc/92/94/98/1067929498.db2.gz IGFSTEWRJZYMFW-UHFFFAOYSA-N 0 0 452.418 4.718 20 0 JJADRN O=S(=O)(c1ccc(NCc2cc(Br)cnc2Cl)cc1)N1CCCCCC1 ZINC001461746407 1067929551 /nfs/dbraw/zinc/92/95/51/1067929551.db2.gz RDZAJVJUXLEWFL-UHFFFAOYSA-N 0 0 458.809 4.674 20 0 JJADRN CC(=O)N(c1nc(CNCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cs1)c1ccc(F)cc1 ZINC001461755377 1067931040 /nfs/dbraw/zinc/93/10/40/1067931040.db2.gz RERFFMDEIHQUOM-SJLPKXTDSA-N 0 0 476.618 4.950 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(Br)c[nH]c2=O)c1 ZINC001546126848 1067931470 /nfs/dbraw/zinc/93/14/70/1067931470.db2.gz GEHOQZQZOBZLFD-PZJWPPBQSA-N 0 0 453.336 4.929 20 0 JJADRN CCSC1(CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)CC1 ZINC001461758803 1067931882 /nfs/dbraw/zinc/93/18/82/1067931882.db2.gz ORRKYAPEHZZJGG-UHFFFAOYSA-N 0 0 452.576 4.943 20 0 JJADRN CC1(C)C[C@]1(CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001461758943 1067932306 /nfs/dbraw/zinc/93/23/06/1067932306.db2.gz MRHIANZSYNBALU-YKSBVNFPSA-N 0 0 455.396 4.538 20 0 JJADRN CC(C)(CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)CC(F)(F)F ZINC001461762369 1067932329 /nfs/dbraw/zinc/93/23/29/1067932329.db2.gz BUSKSUYOZYVBNH-UHFFFAOYSA-N 0 0 452.502 4.773 20 0 JJADRN CC[C@@H](c1ccccc1)N(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C(C)C ZINC001461766271 1067932622 /nfs/dbraw/zinc/93/26/22/1067932622.db2.gz VRVSJIBVWDSQQV-QFIPXVFZSA-N 0 0 458.624 4.918 20 0 JJADRN CCc1c(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cnn1-c1ccccn1 ZINC001461765739 1067932736 /nfs/dbraw/zinc/93/27/36/1067932736.db2.gz IUZLFHKEKQIYNT-QGZVFWFLSA-N 0 0 457.397 4.599 20 0 JJADRN CC1(C)[C@H](CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(F)F ZINC001461767187 1067933031 /nfs/dbraw/zinc/93/30/31/1067933031.db2.gz XUCVRYMSOSZXTO-INIZCTEOSA-N 0 0 450.411 4.974 20 0 JJADRN NC(=O)c1cc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)nc2ccccc21 ZINC001461767267 1067933089 /nfs/dbraw/zinc/93/30/89/1067933089.db2.gz CSWKNNNSEKEGEK-UHFFFAOYSA-N 0 0 456.193 4.506 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1NC(=O)OC(C)(C)C ZINC001461770153 1067933400 /nfs/dbraw/zinc/93/34/00/1067933400.db2.gz KHXUPHSIOCARES-FQEVSTJZSA-N 0 0 451.567 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC001461771864 1067933859 /nfs/dbraw/zinc/93/38/59/1067933859.db2.gz CTTGOISQILAELQ-MRXNPFEDSA-N 0 0 457.271 4.793 20 0 JJADRN CC[C@H](c1ccccc1)N(C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC001461771140 1067933939 /nfs/dbraw/zinc/93/39/39/1067933939.db2.gz XGMSTUWAZCLQGB-FOIQADDNSA-N 0 0 457.368 4.822 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(F)c(Br)c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461772324 1067934249 /nfs/dbraw/zinc/93/42/49/1067934249.db2.gz IBCSFPODMJVMTQ-CYBMUJFWSA-N 0 0 456.678 4.624 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)cn3ccnc23)c(Cl)cc1Br ZINC001461772898 1067934539 /nfs/dbraw/zinc/93/45/39/1067934539.db2.gz MOCZIHZDUPZDEH-UHFFFAOYSA-N 0 0 459.525 4.774 20 0 JJADRN O=C(NCC(C1CCC1)C1CCC1)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC001461784765 1067936826 /nfs/dbraw/zinc/93/68/26/1067936826.db2.gz BDPWCYVAWQMBOB-UHFFFAOYSA-N 0 0 453.048 4.654 20 0 JJADRN COc1ccc(Br)cc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001461792065 1067937879 /nfs/dbraw/zinc/93/78/79/1067937879.db2.gz JGFZEIKIYJXVLD-JTQLQIEISA-N 0 0 459.123 4.723 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1csc(Cc2ccccc2F)n1 ZINC001461797527 1067938617 /nfs/dbraw/zinc/93/86/17/1067938617.db2.gz KJEAKPOIQUWOGO-UHFFFAOYSA-N 0 0 452.532 4.958 20 0 JJADRN C[C@]1(C(=O)NCC/C=C\c2ccc(Br)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC001461800064 1067939072 /nfs/dbraw/zinc/93/90/72/1067939072.db2.gz SMOBNMONEITJAR-DHKUXTJISA-N 0 0 455.396 4.911 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC001461799603 1067939084 /nfs/dbraw/zinc/93/90/84/1067939084.db2.gz VYAWJNXIETYEOF-UHFFFAOYSA-N 0 0 459.449 4.527 20 0 JJADRN Cc1nc2cc(C(=O)N3CCc4cc(Br)c(Br)cc4C3)ccc2o1 ZINC001461803240 1067939332 /nfs/dbraw/zinc/93/93/32/1067939332.db2.gz GKVAVJYLDSLGKA-UHFFFAOYSA-N 0 0 450.130 4.860 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461803690 1067939722 /nfs/dbraw/zinc/93/97/22/1067939722.db2.gz IPHTYPBHWKXIOG-KRWDZBQOSA-N 0 0 454.493 4.523 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC001461804688 1067939805 /nfs/dbraw/zinc/93/98/05/1067939805.db2.gz MHLAKFBHHDMGDJ-UHFFFAOYSA-N 0 0 453.461 4.529 20 0 JJADRN Cc1sc(Cl)nc1C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC001461805544 1067940170 /nfs/dbraw/zinc/94/01/70/1067940170.db2.gz UIMQQRYUYVUJDM-UHFFFAOYSA-N 0 0 450.583 4.828 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)c1C(C)C ZINC001461806209 1067940187 /nfs/dbraw/zinc/94/01/87/1067940187.db2.gz XJKWKMVZWJEBLT-UHFFFAOYSA-N 0 0 451.571 4.830 20 0 JJADRN COc1cc(Br)c(CNc2nc3cc(F)c(Br)cc3[nH]2)c(OC)c1 ZINC001461809445 1067940390 /nfs/dbraw/zinc/94/03/90/1067940390.db2.gz CUVJBHDEJANKKG-UHFFFAOYSA-N 0 0 459.113 4.856 20 0 JJADRN COc1ccc(OC)c(CN[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809560 1067940551 /nfs/dbraw/zinc/94/05/51/1067940551.db2.gz GRZLHMRSBJGQJP-HFZDXXHNSA-N 0 0 454.567 4.697 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCCc1nsc2ccccc21 ZINC001461811244 1067940928 /nfs/dbraw/zinc/94/09/28/1067940928.db2.gz CRRSKPWFSGANLY-QYFOZDBKSA-N 0 0 453.995 4.703 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3C[C@H](C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461812499 1067940969 /nfs/dbraw/zinc/94/09/69/1067940969.db2.gz JFZYTPZFGLSJTE-DOTOQJQBSA-N 0 0 457.368 4.569 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)CCN1C(=O)OC(C)(C)C ZINC001461812443 1067941004 /nfs/dbraw/zinc/94/10/04/1067941004.db2.gz JERBLZZMFKEAPW-CWRNSKLLSA-N 0 0 453.377 4.599 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCc1c(C(F)(F)F)cnn1C)c(C)n2Cc1ccccc1 ZINC001461833132 1067943734 /nfs/dbraw/zinc/94/37/34/1067943734.db2.gz MKRWHGFWLJAHGW-UHFFFAOYSA-N 0 0 456.468 4.689 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCCC1 ZINC001546127683 1067944546 /nfs/dbraw/zinc/94/45/46/1067944546.db2.gz AIPNANXWDLIWML-IRXDYDNUSA-N 0 0 497.503 4.936 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001546127671 1067944553 /nfs/dbraw/zinc/94/45/53/1067944553.db2.gz AHJJRNMQQJDBFQ-UHFFFAOYSA-N 0 0 473.337 4.791 20 0 JJADRN COc1cc(Cl)c(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cc1OC ZINC001461842033 1067945266 /nfs/dbraw/zinc/94/52/66/1067945266.db2.gz DNSZINAGZLLQLZ-HNNXBMFYSA-N 0 0 453.808 4.999 20 0 JJADRN C[C@H]1CN(Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461848490 1067946281 /nfs/dbraw/zinc/94/62/81/1067946281.db2.gz CGWYMOSZLXQIPP-SFHVURJKSA-N 0 0 458.002 4.962 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)nc2ncnn21 ZINC001461855149 1067948228 /nfs/dbraw/zinc/94/82/28/1067948228.db2.gz VWHCUKDXOGILDH-UHFFFAOYSA-N 0 0 457.357 4.560 20 0 JJADRN CC[C@@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860498 1067949263 /nfs/dbraw/zinc/94/92/63/1067949263.db2.gz COHKCXISJKSHMR-RHSMWYFYSA-N 0 0 454.402 4.699 20 0 JJADRN CC[C@@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860495 1067949292 /nfs/dbraw/zinc/94/92/92/1067949292.db2.gz COHKCXISJKSHMR-PBHICJAKSA-N 0 0 454.402 4.699 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)OCc3ccc(O[C@@H]4CCOC4)cc3)CC2(Cl)Cl)cc1 ZINC001461865241 1067950115 /nfs/dbraw/zinc/95/01/15/1067950115.db2.gz FLWOGQJRGSYROJ-IFMALSPDSA-N 0 0 451.346 4.812 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2nc(C)ncc2Br)c1 ZINC001546127481 1067950943 /nfs/dbraw/zinc/95/09/43/1067950943.db2.gz VSUGURCLPSRHIJ-KNQAVFIVSA-N 0 0 452.352 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1ccc2ccc(Cl)nc2n1 ZINC001461871491 1067951216 /nfs/dbraw/zinc/95/12/16/1067951216.db2.gz XJTWUJAUKOWRTQ-IBGZPJMESA-N 0 0 454.914 4.593 20 0 JJADRN CSCC[C@H](C(=O)Nc1cccc2c(Cl)c(C)cnc12)N1C(=O)c2ccccc2C1=O ZINC001461873711 1067952190 /nfs/dbraw/zinc/95/21/90/1067952190.db2.gz BUJYUMDSFFATJB-GOSISDBHSA-N 0 0 453.951 4.553 20 0 JJADRN COc1cc(Br)cc(C(=O)N2[C@@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461872083 1067952194 /nfs/dbraw/zinc/95/21/94/1067952194.db2.gz ZMRBZMFCXULSSE-KEYYUXOJSA-N 0 0 455.393 4.612 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3cnc(Br)c4ccccc34)cc2C1=O ZINC001461876314 1067952457 /nfs/dbraw/zinc/95/24/57/1067952457.db2.gz WVQKHFHYOKINTN-UHFFFAOYSA-N 0 0 452.308 4.646 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)CCc2cccc(Br)c2)[C@H]1C ZINC001461875728 1067952520 /nfs/dbraw/zinc/95/25/20/1067952520.db2.gz JGIHXZZLZDGALR-JTDSTZFVSA-N 0 0 453.421 4.922 20 0 JJADRN COc1cc(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c2ccccc2n1 ZINC001461878377 1067952944 /nfs/dbraw/zinc/95/29/44/1067952944.db2.gz QBVOKFPEIGTKLG-CYBMUJFWSA-N 0 0 454.577 4.831 20 0 JJADRN O=C(Nc1cccnc1C(=O)c1ccc(F)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001461879541 1067953282 /nfs/dbraw/zinc/95/32/82/1067953282.db2.gz XRIDLRPDJZAXGF-UHFFFAOYSA-N 0 0 452.335 4.907 20 0 JJADRN COc1cc(Br)ccc1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001461885105 1067954593 /nfs/dbraw/zinc/95/45/93/1067954593.db2.gz XFKRJCCDLLWKHU-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c(F)c1 ZINC001461887257 1067954957 /nfs/dbraw/zinc/95/49/57/1067954957.db2.gz AIIGFJYEXDLIFI-UHFFFAOYSA-N 0 0 454.346 4.727 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCCO2)CCC1 ZINC001546127865 1067954979 /nfs/dbraw/zinc/95/49/79/1067954979.db2.gz HLBWHHQOOFMUAP-QGZVFWFLSA-N 0 0 450.425 4.632 20 0 JJADRN COc1cc(Br)ccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001461889470 1067955009 /nfs/dbraw/zinc/95/50/09/1067955009.db2.gz PLFPBILMSBXEFB-UHFFFAOYSA-N 0 0 452.370 4.573 20 0 JJADRN COc1ccnc(N2CCN(Cc3ccc(Oc4cccc(Br)c4)cc3)CC2)c1 ZINC001461893324 1067955919 /nfs/dbraw/zinc/95/59/19/1067955919.db2.gz SHDKPGKLZNEEKN-UHFFFAOYSA-N 0 0 454.368 4.967 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001461896145 1067956726 /nfs/dbraw/zinc/95/67/26/1067956726.db2.gz DOLRMSZSHZBKFR-OAQYLSRUSA-N 0 0 450.894 4.646 20 0 JJADRN COc1ccc(OC(=O)c2ccc(C(F)(F)F)c(OC)c2)cc1I ZINC001461898779 1067957097 /nfs/dbraw/zinc/95/70/97/1067957097.db2.gz JXICSPPCWZWDRQ-UHFFFAOYSA-N 0 0 452.166 4.546 20 0 JJADRN O=C(CN(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1F)Nc1ccccc1F ZINC001461901121 1067957888 /nfs/dbraw/zinc/95/78/88/1067957888.db2.gz SAYWUAWXVPVWHE-QFIPXVFZSA-N 0 0 452.501 4.773 20 0 JJADRN O=C(CN(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1F)Nc1ccccc1F ZINC001461901119 1067958053 /nfs/dbraw/zinc/95/80/53/1067958053.db2.gz SAYWUAWXVPVWHE-JOCHJYFZSA-N 0 0 452.501 4.773 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902895 1067958427 /nfs/dbraw/zinc/95/84/27/1067958427.db2.gz XZJCCMCLTCAVRS-VBKZILBWSA-N 0 0 451.350 4.537 20 0 JJADRN CCOC(=O)[C@]1(CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCCOC1 ZINC001461903351 1067958456 /nfs/dbraw/zinc/95/84/56/1067958456.db2.gz WAFCPBOREFJKCV-QFIPXVFZSA-N 0 0 452.334 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCC2([C@H]3CCCCO3)CCC2)C1 ZINC001461902070 1067958593 /nfs/dbraw/zinc/95/85/93/1067958593.db2.gz LAFDMTUYPOLHQY-DNVJHFABSA-N 0 0 456.627 4.568 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC001461919888 1067961110 /nfs/dbraw/zinc/96/11/10/1067961110.db2.gz JZYCREPVDGULNO-UHFFFAOYSA-N 0 0 451.351 4.834 20 0 JJADRN COC(=O)[C@H](C)CN(Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl)Cc1ccccc1 ZINC001461921778 1067961814 /nfs/dbraw/zinc/96/18/14/1067961814.db2.gz UCHLYMUNQAQCGB-LJQANCHMSA-N 0 0 455.002 4.711 20 0 JJADRN CC(C)N(Cc1ncc(I)s1)Cc1ccc(Br)cc1 ZINC001461933194 1067963688 /nfs/dbraw/zinc/96/36/88/1067963688.db2.gz FWGVTPGBFUPDAK-UHFFFAOYSA-N 0 0 451.171 4.921 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461933506 1067963728 /nfs/dbraw/zinc/96/37/28/1067963728.db2.gz PNWHVQHDVMFOAY-RTOPAQNCSA-N 0 0 456.505 4.578 20 0 JJADRN COc1cccc(CN2CCN(C(=O)CCSc3ccnc4cc(Cl)ccc43)CC2)c1 ZINC001461934414 1067964127 /nfs/dbraw/zinc/96/41/27/1067964127.db2.gz DIINISRTVQELHW-UHFFFAOYSA-N 0 0 456.011 4.723 20 0 JJADRN COC(=O)c1ccc(CN2Cc3cc(Br)ccc3C[C@H]2C)c(Br)c1 ZINC001461933962 1067964159 /nfs/dbraw/zinc/96/41/59/1067964159.db2.gz DKPIJTQYTJHLOA-GFCCVEGCSA-N 0 0 453.174 4.945 20 0 JJADRN Cc1c(C(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)nnn1-c1cccc(Br)c1 ZINC001461937960 1067964391 /nfs/dbraw/zinc/96/43/91/1067964391.db2.gz PFLVIEYTBGVZLQ-HSZRJFAPSA-N 0 0 453.384 4.884 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCc4ccc(Cl)cc43)s2)CC1 ZINC001461938655 1067964440 /nfs/dbraw/zinc/96/44/40/1067964440.db2.gz QAMUMMUPMFXQFA-GOSISDBHSA-N 0 0 453.029 4.630 20 0 JJADRN CS(C)(=O)=Nc1ccc(C(=O)Oc2cccc(OC(F)(F)F)c2Br)cc1 ZINC001461936961 1067964465 /nfs/dbraw/zinc/96/44/65/1067964465.db2.gz PMWUOZAHAVIQAP-UHFFFAOYSA-N 0 0 452.248 4.926 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(CN2CCO[C@@H](c3ccccc3Br)C2)[nH]1 ZINC001461939470 1067964863 /nfs/dbraw/zinc/96/48/63/1067964863.db2.gz QMBJYGMFTPAQDG-JOCHJYFZSA-N 0 0 455.352 4.708 20 0 JJADRN Cc1ccc(C[C@]2(C)CCCN2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC001461943051 1067965483 /nfs/dbraw/zinc/96/54/83/1067965483.db2.gz JEUZOGXDYDCHGX-SANMLTNESA-N 0 0 454.636 4.715 20 0 JJADRN CCCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC001461945534 1067966379 /nfs/dbraw/zinc/96/63/79/1067966379.db2.gz XCCQUWWYKJWCCA-UHFFFAOYSA-N 0 0 458.624 4.920 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)ccc1OCC(=O)N1CCCCC1 ZINC001461945332 1067966452 /nfs/dbraw/zinc/96/64/52/1067966452.db2.gz KIFGTFWCAKAHBL-OAQYLSRUSA-N 0 0 456.970 4.547 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)Nc3cc(F)c(Cl)cc3I)c2)o1 ZINC001461946590 1067966741 /nfs/dbraw/zinc/96/67/41/1067966741.db2.gz RLKGBSTWQYWLNI-UHFFFAOYSA-N 0 0 457.630 4.694 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461953315 1067967805 /nfs/dbraw/zinc/96/78/05/1067967805.db2.gz RUUBAFPNFAPHQO-GFCCVEGCSA-N 0 0 455.337 4.922 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(Br)c(Cl)c3F)CC2)cc1 ZINC001461953354 1067967844 /nfs/dbraw/zinc/96/78/44/1067967844.db2.gz VCEMQJJJOCNRFZ-UHFFFAOYSA-N 0 0 453.739 4.585 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1OCc1c(C)noc1C ZINC001461954479 1067968269 /nfs/dbraw/zinc/96/82/69/1067968269.db2.gz CYUGNTJOJSDWMZ-BQELMGPXSA-N 0 0 454.473 4.843 20 0 JJADRN CCOC(=O)CN(Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)Cc1ccc(F)cc1 ZINC001461956844 1067968889 /nfs/dbraw/zinc/96/88/89/1067968889.db2.gz UTLHLIHFOSKQKX-UHFFFAOYSA-N 0 0 453.464 4.984 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC001461961947 1067969795 /nfs/dbraw/zinc/96/97/95/1067969795.db2.gz XDUNHNLXNAUIJZ-UHFFFAOYSA-N 0 0 451.592 4.502 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1nc2c(s1)c(Br)ccc2F)c1ccc(C)cc1 ZINC001461965800 1067970517 /nfs/dbraw/zinc/97/05/17/1067970517.db2.gz LJIGNLDLWBZRQE-HNNXBMFYSA-N 0 0 450.333 4.712 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001461964071 1067970538 /nfs/dbraw/zinc/97/05/38/1067970538.db2.gz RFRVSWYXPZERHI-YGRLFVJLSA-N 0 0 451.283 4.596 20 0 JJADRN Cc1cc(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ncc1Br ZINC001461967014 1067970826 /nfs/dbraw/zinc/97/08/26/1067970826.db2.gz YYJDUSLJBOHJDJ-UHFFFAOYSA-N 0 0 454.368 4.840 20 0 JJADRN CCOC1CC(CC(=O)Nc2cc(Br)cc(I)c2C)C1 ZINC001461967884 1067970846 /nfs/dbraw/zinc/97/08/46/1067970846.db2.gz NECYRIRCJATIMT-UHFFFAOYSA-N 0 0 452.130 4.506 20 0 JJADRN CC[C@@H]1CCC[C@H](CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971358 1067971948 /nfs/dbraw/zinc/97/19/48/1067971948.db2.gz PARSUTVXSQMQJX-CVEARBPZSA-N 0 0 452.970 4.882 20 0 JJADRN Fc1ccc(C(F)(F)F)c(Br)c1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC001461969923 1067972105 /nfs/dbraw/zinc/97/21/05/1067972105.db2.gz QPERFIZGHRZEBA-UHFFFAOYSA-N 0 0 455.253 4.881 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2c1cccc2Br ZINC001461973406 1067972384 /nfs/dbraw/zinc/97/23/84/1067972384.db2.gz SARLOQAQMJAVQD-MRXNPFEDSA-N 0 0 459.359 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CN3CCN(C(=O)CC4CCCCC4)CC3)cc2C1 ZINC001461980459 1067973880 /nfs/dbraw/zinc/97/38/80/1067973880.db2.gz CNXRZWRYQZFQMF-UHFFFAOYSA-N 0 0 455.643 4.594 20 0 JJADRN COC[C@H](C)N(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCc2ccccc21 ZINC001461980963 1067973900 /nfs/dbraw/zinc/97/39/00/1067973900.db2.gz WTRNYKSGMBASJG-VBKZILBWSA-N 0 0 456.336 4.720 20 0 JJADRN COC[C@H](C)N(C(=O)c1ccc(I)c(F)c1)[C@H]1CCc2ccccc21 ZINC001461983315 1067974355 /nfs/dbraw/zinc/97/43/55/1067974355.db2.gz ZBAZAYDUJXQHJE-DJJJIMSYSA-N 0 0 453.295 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)C1 ZINC001461983814 1067974761 /nfs/dbraw/zinc/97/47/61/1067974761.db2.gz LXPWDPVVIYRUOE-OAQYLSRUSA-N 0 0 454.567 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001461985544 1067974796 /nfs/dbraw/zinc/97/47/96/1067974796.db2.gz XIGIOUZBYNLZQN-IBGZPJMESA-N 0 0 456.505 4.584 20 0 JJADRN O=C(NC[C@@H]1CCCC12CC2)c1c(I)ccc(Br)c1F ZINC001461996658 1067977104 /nfs/dbraw/zinc/97/71/04/1067977104.db2.gz LTJOHPXDTVFGTJ-VIFPVBQESA-N 0 0 452.105 4.503 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(C)c(Cl)cc2I)cc1 ZINC001462009534 1067979580 /nfs/dbraw/zinc/97/95/80/1067979580.db2.gz YJQVJALRIJQLRF-UONOGXRCSA-N 0 0 469.706 4.782 20 0 JJADRN O=C(c1sccc1Br)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001462009926 1067979622 /nfs/dbraw/zinc/97/96/22/1067979622.db2.gz BYRTVRPPNJBQST-UHFFFAOYSA-N 0 0 457.187 4.982 20 0 JJADRN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OC)cc2Br)cc1Br ZINC001462010346 1067980039 /nfs/dbraw/zinc/98/00/39/1067980039.db2.gz DZIZHRKYQMXPQG-NSHDSACASA-N 0 0 457.162 4.858 20 0 JJADRN O=C(c1cc(Br)cnc1OCC1CC1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001462015063 1067981269 /nfs/dbraw/zinc/98/12/69/1067981269.db2.gz WRBZHZSJKKSPTA-UHFFFAOYSA-N 0 0 455.274 4.850 20 0 JJADRN CO[C@@H](CN1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1)C1CCCCC1 ZINC001462018908 1067982312 /nfs/dbraw/zinc/98/23/12/1067982312.db2.gz POCLFMBWADPXLO-QHCPKHFHSA-N 0 0 450.689 4.503 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(Cc2ccc3scnc3c2)CC1 ZINC001462019016 1067982385 /nfs/dbraw/zinc/98/23/85/1067982385.db2.gz QFMJXVXFOXDUDE-UHFFFAOYSA-N 0 0 457.665 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NCc2cc3cnccc3o2)c1 ZINC001462023314 1067983254 /nfs/dbraw/zinc/98/32/54/1067983254.db2.gz KRTICKOEZRBESP-HXUWFJFHSA-N 0 0 451.523 4.996 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2c(Cl)cccc2Cl)s1 ZINC001462027760 1067984053 /nfs/dbraw/zinc/98/40/53/1067984053.db2.gz BANABVABDFHOQQ-UHFFFAOYSA-N 0 0 456.376 4.948 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 ZINC001462030035 1067984396 /nfs/dbraw/zinc/98/43/96/1067984396.db2.gz DQTMWLJPTKKENN-LJQANCHMSA-N 0 0 457.933 4.601 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001462028663 1067984482 /nfs/dbraw/zinc/98/44/82/1067984482.db2.gz KFIYHQZVKJLFOR-MOPGFXCFSA-N 0 0 450.457 4.854 20 0 JJADRN COc1ccc(Oc2ccc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2)cc1 ZINC001462029369 1067984539 /nfs/dbraw/zinc/98/45/39/1067984539.db2.gz AVMWRLDEQNKOCI-UHFFFAOYSA-N 0 0 459.590 4.861 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CCN(c2cccc(C)c2)CC1 ZINC001462028098 1067984556 /nfs/dbraw/zinc/98/45/56/1067984556.db2.gz IIRPWVUZJPUWLZ-UHFFFAOYSA-N 0 0 459.377 4.596 20 0 JJADRN CC(C)(C)c1cc2cccnc2c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)c1 ZINC001462028232 1067984593 /nfs/dbraw/zinc/98/45/93/1067984593.db2.gz GRGACXCYKMAYKM-UHFFFAOYSA-N 0 0 457.983 4.978 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001462034048 1067985409 /nfs/dbraw/zinc/98/54/09/1067985409.db2.gz PMMOCWAWRNMCJO-HOTGVXAUSA-N 0 0 451.445 4.503 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)CC2=O)cc1 ZINC001462035654 1067985537 /nfs/dbraw/zinc/98/55/37/1067985537.db2.gz XGOZOMCJSFHBOQ-UYAOXDASSA-N 0 0 457.977 4.570 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037825 1067986055 /nfs/dbraw/zinc/98/60/55/1067986055.db2.gz UUPCBRSWXSQTKN-GOSISDBHSA-N 0 0 458.624 4.576 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001462036198 1067986094 /nfs/dbraw/zinc/98/60/94/1067986094.db2.gz AZMFKAATZCVURS-UHFFFAOYSA-N 0 0 459.164 4.951 20 0 JJADRN CSCCc1ccccc1NC(=O)CCCOc1ccc(I)cc1 ZINC001462037349 1067986121 /nfs/dbraw/zinc/98/61/21/1067986121.db2.gz IIMJYBSNCKRWPV-UHFFFAOYSA-N 0 0 455.361 4.994 20 0 JJADRN COc1cc(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(F)cc1Br ZINC001462039706 1067986517 /nfs/dbraw/zinc/98/65/17/1067986517.db2.gz RPJYITTZNLDXMV-UHFFFAOYSA-N 0 0 450.135 4.974 20 0 JJADRN CCc1cc(OCC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)ccc1Cl ZINC001462039851 1067987306 /nfs/dbraw/zinc/98/73/06/1067987306.db2.gz RTKCFLMQKKRWRI-UHFFFAOYSA-N 0 0 458.986 4.891 20 0 JJADRN O=C(NCc1cn(C(F)F)c2ccccc12)c1cc(Br)cnc1Br ZINC001462040847 1067987356 /nfs/dbraw/zinc/98/73/56/1067987356.db2.gz XPCNSGHGVUTTKI-UHFFFAOYSA-N 0 0 459.088 4.886 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC001462042115 1067987831 /nfs/dbraw/zinc/98/78/31/1067987831.db2.gz LRZFGASACDCAMH-XMMPIXPASA-N 0 0 458.624 4.695 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1 ZINC001462042938 1067988455 /nfs/dbraw/zinc/98/84/55/1067988455.db2.gz GDJXQWKZSQJJHL-HDICACEKSA-N 0 0 459.637 4.968 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1Br ZINC001462044208 1067988466 /nfs/dbraw/zinc/98/84/66/1067988466.db2.gz MTRSKPCXOVQZOB-RGCFKVTRSA-N 0 0 451.405 4.972 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2nc(Cl)ccc2Br)CC1 ZINC001462046982 1067989024 /nfs/dbraw/zinc/98/90/24/1067989024.db2.gz OSCVZGZZCTWGQM-CYBMUJFWSA-N 0 0 451.821 4.986 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001462047442 1067989370 /nfs/dbraw/zinc/98/93/70/1067989370.db2.gz GKUZJFAMVFHEIJ-HLNSBACISA-N 0 0 455.368 4.803 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1Br ZINC001462053978 1067992123 /nfs/dbraw/zinc/99/21/23/1067992123.db2.gz UUQOXJUCHIMSAM-QVSURHGTSA-N 0 0 451.405 4.918 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc21)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001462060286 1067993317 /nfs/dbraw/zinc/99/33/17/1067993317.db2.gz GBQGSIAYFPMXQD-UHFFFAOYSA-N 0 0 451.252 4.568 20 0 JJADRN CN(C(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1)c1ccccc1 ZINC001462065407 1067994579 /nfs/dbraw/zinc/99/45/79/1067994579.db2.gz NEODXKJFQVLMNB-UHFFFAOYSA-N 0 0 456.396 4.721 20 0 JJADRN O=C(NCCCNc1cccc(F)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001546129217 1067995248 /nfs/dbraw/zinc/99/52/48/1067995248.db2.gz XTADFASJMAXJNZ-UHFFFAOYSA-N 0 0 458.271 4.580 20 0 JJADRN O=C(CCc1nc(-c2ccsc2)no1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001462067655 1067995797 /nfs/dbraw/zinc/99/57/97/1067995797.db2.gz ZRIWLMMTIFTIJG-UHFFFAOYSA-N 0 0 451.455 4.907 20 0 JJADRN COCCOCc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC001462069353 1067995829 /nfs/dbraw/zinc/99/58/29/1067995829.db2.gz UOIXLULRHUZWTM-UHFFFAOYSA-N 0 0 457.530 4.963 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)nc1C ZINC001462075613 1067997096 /nfs/dbraw/zinc/99/70/96/1067997096.db2.gz ZHTQIBWPYIQJSM-UHFFFAOYSA-N 0 0 452.561 4.788 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(-c2ccccn2)ccc1Cl ZINC001462090824 1068000159 /nfs/dbraw/zinc/00/01/59/1068000159.db2.gz BOQHSUUDVKJPBQ-HXUWFJFHSA-N 0 0 459.855 4.956 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CCOCC1 ZINC001546129339 1068000250 /nfs/dbraw/zinc/00/02/50/1068000250.db2.gz BVQDHFIENQORTG-HDICACEKSA-N 0 0 490.670 4.508 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)C1 ZINC001462096302 1068001735 /nfs/dbraw/zinc/00/17/35/1068001735.db2.gz KFGUJRRTNSVKBK-KAYWLYCHSA-N 0 0 450.554 4.823 20 0 JJADRN CCC1(CC)Oc2ccc(NC[C@H](CNC(=O)OC(C)(C)C)Cc3cnn(C)c3C)cc2O1 ZINC001462100510 1068001942 /nfs/dbraw/zinc/00/19/42/1068001942.db2.gz AYGLGUGOHZHCLA-GOSISDBHSA-N 0 0 458.603 4.812 20 0 JJADRN COCC1(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462099418 1068002054 /nfs/dbraw/zinc/00/20/54/1068002054.db2.gz SDRWBAFHNOZWOR-SANMLTNESA-N 0 0 456.627 4.736 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001546129452 1068004602 /nfs/dbraw/zinc/00/46/02/1068004602.db2.gz HGOFYFFKJPHARM-UHFFFAOYSA-N 0 0 473.490 4.811 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)CC[C@H]2C)CCOCC1 ZINC001546129456 1068004842 /nfs/dbraw/zinc/00/48/42/1068004842.db2.gz HIJCDHGBUMIALF-DLBZAZTESA-N 0 0 464.452 4.878 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCC[C@@](OC)(C(F)(F)F)C2)cc1Br ZINC001462108236 1068005049 /nfs/dbraw/zinc/00/50/49/1068005049.db2.gz XXFSQCSMOLVGSN-PXAZEXFGSA-N 0 0 458.290 4.813 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC001546129463 1068005114 /nfs/dbraw/zinc/00/51/14/1068005114.db2.gz HMSPQVCTYAHMDT-INIZCTEOSA-N 0 0 490.368 4.784 20 0 JJADRN COC(=O)c1ccc(-c2ccc(CN[C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001462110567 1068006230 /nfs/dbraw/zinc/00/62/30/1068006230.db2.gz HYNFIJFZMLBWBW-LJQANCHMSA-N 0 0 458.436 4.647 20 0 JJADRN CCCCCn1nc(C(=O)N(c2cccc(F)c2C)[C@H]2CCO[C@H]2C)c2ccccc2c1=O ZINC001462110251 1068006470 /nfs/dbraw/zinc/00/64/70/1068006470.db2.gz QMYZQNMIWSZBKX-MBSDFSHPSA-N 0 0 451.542 4.858 20 0 JJADRN CCOc1cc(CN2C[C@@H](C)Oc3c(F)cccc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462115992 1068007340 /nfs/dbraw/zinc/00/73/40/1068007340.db2.gz MNAUPGNHKWCWPY-MRXNPFEDSA-N 0 0 455.482 4.971 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)NCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001462115525 1068007407 /nfs/dbraw/zinc/00/74/07/1068007407.db2.gz HZJJAKXIVRHVAF-OAQYLSRUSA-N 0 0 456.384 4.632 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNCc1ccc(Br)o1 ZINC001462117730 1068008089 /nfs/dbraw/zinc/00/80/89/1068008089.db2.gz MULGTUPKKXJOFV-UHFFFAOYSA-N 0 0 459.127 4.611 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122871 1068009987 /nfs/dbraw/zinc/00/99/87/1068009987.db2.gz BLSWKWWBKMOTPO-FUHWJXTLSA-N 0 0 458.521 4.716 20 0 JJADRN Cc1c(F)cccc1N(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCO[C@@H]1C ZINC001462123188 1068010123 /nfs/dbraw/zinc/01/01/23/1068010123.db2.gz ZXCMLSKYBXWGDO-CJFMBICVSA-N 0 0 452.570 4.516 20 0 JJADRN Cc1sc(=O)n(CC(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)c1-c1ccc(F)cc1 ZINC001462124586 1068010565 /nfs/dbraw/zinc/01/05/65/1068010565.db2.gz IAKWMVBGWVBOED-UHFFFAOYSA-N 0 0 459.930 4.870 20 0 JJADRN O=C(N[C@H]1CCCc2ccc(Cl)cc21)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001462125099 1068010770 /nfs/dbraw/zinc/01/07/70/1068010770.db2.gz FMABBVXNENQRJY-JXFKEZNVSA-N 0 0 450.888 4.901 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3C[C@H](c4ccc(Br)cc4)C[C@@H]3C)CC2=O)ccc1F ZINC001462129309 1068011568 /nfs/dbraw/zinc/01/15/68/1068011568.db2.gz XRDBNXDYXKYVHY-CGTJXYLNSA-N 0 0 459.359 4.654 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001462129322 1068011687 /nfs/dbraw/zinc/01/16/87/1068011687.db2.gz LWILULJYGIPYCH-CRAIPNDOSA-N 0 0 459.589 4.875 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001462128050 1068011749 /nfs/dbraw/zinc/01/17/49/1068011749.db2.gz LDNFFYGHADWDHR-CJFMBICVSA-N 0 0 456.970 4.819 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)CCC1 ZINC001546129554 1068012116 /nfs/dbraw/zinc/01/21/16/1068012116.db2.gz KJZZHKFJFCNFIW-UHFFFAOYSA-N 0 0 451.036 4.582 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CCOCC1 ZINC001546129624 1068013625 /nfs/dbraw/zinc/01/36/25/1068013625.db2.gz MSAJFLIFHYJYKL-QGZVFWFLSA-N 0 0 464.452 4.879 20 0 JJADRN CCOCCN(C(=O)[C@H](C)Oc1ccc(F)cc1Br)[C@@H]1CCc2ccccc21 ZINC001462152339 1068017014 /nfs/dbraw/zinc/01/70/14/1068017014.db2.gz PSIJQGCFBWDSKJ-MGPUTAFESA-N 0 0 450.348 4.908 20 0 JJADRN CCCN(Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC001462154299 1068017579 /nfs/dbraw/zinc/01/75/79/1068017579.db2.gz KIFIQDDQMOMHQH-GOSISDBHSA-N 0 0 456.587 4.557 20 0 JJADRN CCCN(Cc1cccc(F)c1I)[C@H](C)C(=O)Nc1ccccc1C ZINC001462153693 1068017778 /nfs/dbraw/zinc/01/77/78/1068017778.db2.gz HZKCOTYYDCQLLY-OAHLLOKOSA-N 0 0 454.327 4.978 20 0 JJADRN CN(c1ccccc1)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cn1 ZINC001462158155 1068018712 /nfs/dbraw/zinc/01/87/12/1068018712.db2.gz PLKOUVRSEIAIOX-UHFFFAOYSA-N 0 0 459.413 4.552 20 0 JJADRN C[C@@H]1CN(Cc2ccc(I)s2)c2cc(Br)ccc2O1 ZINC001462159325 1068018768 /nfs/dbraw/zinc/01/87/68/1068018768.db2.gz VOXQVTDWYITSJQ-SECBINFHSA-N 0 0 450.139 4.903 20 0 JJADRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC001462163032 1068019836 /nfs/dbraw/zinc/01/98/36/1068019836.db2.gz VJLDSCUHKIDVMJ-JOCHJYFZSA-N 0 0 454.636 4.655 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2nc(C3CCCCC3)cs2)c1I ZINC001462162867 1068019908 /nfs/dbraw/zinc/01/99/08/1068019908.db2.gz VVCZARFBKRUQMO-UHFFFAOYSA-N 0 0 458.369 4.999 20 0 JJADRN Cc1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1I ZINC001462165811 1068020226 /nfs/dbraw/zinc/02/02/26/1068020226.db2.gz GNKJVNNEYSWESK-WBVHZDCISA-N 0 0 459.686 4.652 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CCO1 ZINC001462166310 1068020520 /nfs/dbraw/zinc/02/05/20/1068020520.db2.gz JMQRNTMNGIYAHB-FQEVSTJZSA-N 0 0 458.530 4.975 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001462168159 1068021237 /nfs/dbraw/zinc/02/12/37/1068021237.db2.gz WUJJOUSKLBJKQW-HBMCJLEFSA-N 0 0 462.949 4.734 20 0 JJADRN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174384 1068021880 /nfs/dbraw/zinc/02/18/80/1068021880.db2.gz GNHJBYBEVDHBNN-FQEVSTJZSA-N 0 0 454.741 4.613 20 0 JJADRN O=S(=O)(c1ccccc1)C1CC(Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001462177088 1068022516 /nfs/dbraw/zinc/02/25/16/1068022516.db2.gz KNYAIXGEBAJAOA-UHFFFAOYSA-N 0 0 450.276 4.765 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC001462179735 1068022626 /nfs/dbraw/zinc/02/26/26/1068022626.db2.gz ZRSOOTXRSONHSV-UHFFFAOYSA-N 0 0 456.347 4.749 20 0 JJADRN C[C@@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001462179977 1068022910 /nfs/dbraw/zinc/02/29/10/1068022910.db2.gz AXXNGCVBKIFURS-MLGOLLRUSA-N 0 0 454.436 4.786 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2nc(CCOC)no2)CCCC1 ZINC001546129900 1068023500 /nfs/dbraw/zinc/02/35/00/1068023500.db2.gz YGCJOZWRGGOYIY-UHFFFAOYSA-N 0 0 458.994 4.777 20 0 JJADRN CCCc1c(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cnn1-c1cc(F)c(OC)cc1F ZINC001462181839 1068023697 /nfs/dbraw/zinc/02/36/97/1068023697.db2.gz GVOYRWOYLKMKFU-GASCZTMLSA-N 0 0 450.530 4.827 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462186837 1068024639 /nfs/dbraw/zinc/02/46/39/1068024639.db2.gz ZRZTUCPNPPYSCH-INIZCTEOSA-N 0 0 459.251 4.982 20 0 JJADRN COC(=O)c1[nH]c2ccccc2c1CNc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001462185370 1068024747 /nfs/dbraw/zinc/02/47/47/1068024747.db2.gz WEFCIWGFUQAKEN-UHFFFAOYSA-N 0 0 456.340 4.565 20 0 JJADRN COCCN(Cc1cn(-c2ccc(F)cc2Cl)nn1)Cc1cc(Br)cs1 ZINC001462191274 1068025607 /nfs/dbraw/zinc/02/56/07/1068025607.db2.gz QZRXDZBVLNLPAG-UHFFFAOYSA-N 0 0 459.772 4.532 20 0 JJADRN COc1cccc2c1CN(C(=O)c1cccc(NC(=O)c3ccc(Br)cc3)c1)C2 ZINC001462195659 1068027083 /nfs/dbraw/zinc/02/70/83/1068027083.db2.gz OFEJNDQLRJAFNR-UHFFFAOYSA-N 0 0 451.320 4.866 20 0 JJADRN COc1cccc2c1OCC[C@H]2OC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462198779 1068027325 /nfs/dbraw/zinc/02/73/25/1068027325.db2.gz MZWNFHLHVXUDDA-QZTJIDSGSA-N 0 0 450.318 4.674 20 0 JJADRN CCCOc1c(Br)cc(C(=O)O[C@H]2CCOc3c(OC)cccc32)cc1OC ZINC001462201584 1068028488 /nfs/dbraw/zinc/02/84/88/1068028488.db2.gz SVWCXRDBRGGLML-INIZCTEOSA-N 0 0 451.313 4.936 20 0 JJADRN CCOc1cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)cc(Cl)c1O ZINC001462202245 1068028557 /nfs/dbraw/zinc/02/85/57/1068028557.db2.gz YSBYFUVSUOZGHY-UHFFFAOYSA-N 0 0 454.752 4.699 20 0 JJADRN Cc1ccc(SC2(C(=O)Nc3ncc(S(=O)(=O)NC(C)(C)C)s3)CCCC2)cc1 ZINC001462211649 1068029632 /nfs/dbraw/zinc/02/96/32/1068029632.db2.gz QEJJFNWUJRKDMX-UHFFFAOYSA-N 0 0 453.655 4.572 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001462212063 1068029947 /nfs/dbraw/zinc/02/99/47/1068029947.db2.gz ZQDKZDMKQXNDGR-LBPRGKRZSA-N 0 0 458.363 4.925 20 0 JJADRN C[C@@H](C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC001462215349 1068030170 /nfs/dbraw/zinc/03/01/70/1068030170.db2.gz CURPKNOCOVNWSI-IFXJQAMLSA-N 0 0 457.489 4.801 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)Nc2ncc(S(=O)(=O)NC(C)(C)C)s2)cc1 ZINC001462214671 1068030322 /nfs/dbraw/zinc/03/03/22/1068030322.db2.gz HZTNAIBDXAGTDA-UHFFFAOYSA-N 0 0 459.593 4.502 20 0 JJADRN CCSc1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(Br)c1 ZINC001462212846 1068030352 /nfs/dbraw/zinc/03/03/52/1068030352.db2.gz VPGFWQYODBFJHO-CQSZACIVSA-N 0 0 452.345 4.797 20 0 JJADRN COC(=O)c1[nH]c2ccccc2c1CNc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001462218033 1068030564 /nfs/dbraw/zinc/03/05/64/1068030564.db2.gz YXFZIDNADVRLCR-UHFFFAOYSA-N 0 0 455.580 4.520 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2cccc(I)c2)C1 ZINC001462224436 1068032250 /nfs/dbraw/zinc/03/22/50/1068032250.db2.gz GUHKPMRCMXNULV-VQIMIIECSA-N 0 0 456.368 4.514 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001462225694 1068032371 /nfs/dbraw/zinc/03/23/71/1068032371.db2.gz FICDQEAYKJROJL-NRFANRHFSA-N 0 0 459.917 4.642 20 0 JJADRN Cc1cccc(CN2CCO[C@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229221 1068033504 /nfs/dbraw/zinc/03/35/04/1068033504.db2.gz CPXYHUPYHMUVBR-QGZVFWFLSA-N 0 0 459.409 4.603 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239811 1068035809 /nfs/dbraw/zinc/03/58/09/1068035809.db2.gz XSBIXUQCYXCCCX-IAPPQJPRSA-N 0 0 458.602 4.695 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001462241696 1068036491 /nfs/dbraw/zinc/03/64/91/1068036491.db2.gz JAMDGBKEXDTLST-ZDUSSCGKSA-N 0 0 458.322 4.886 20 0 JJADRN O=C(NC[C@@H]1CCC12CCOCC2)c1cc(I)c(Cl)cc1Cl ZINC001462246567 1068037411 /nfs/dbraw/zinc/03/74/11/1068037411.db2.gz VDWCOVPWNFKUFC-JTQLQIEISA-N 0 0 454.135 4.535 20 0 JJADRN CC(C)[C@H]1N(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC12CCCCCC2 ZINC001462252449 1068038482 /nfs/dbraw/zinc/03/84/82/1068038482.db2.gz XZWWRWRLOYKMAY-HXUWFJFHSA-N 0 0 456.446 4.571 20 0 JJADRN O=C(NCc1ccc(Br)cn1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001462254955 1068039023 /nfs/dbraw/zinc/03/90/23/1068039023.db2.gz HGSVRJUINGLFRD-UHFFFAOYSA-N 0 0 457.111 4.648 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001462256139 1068039096 /nfs/dbraw/zinc/03/90/96/1068039096.db2.gz CQQRQJUJMFFFKN-OAQYLSRUSA-N 0 0 453.583 4.505 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)c2cccc3ccsc32)c1 ZINC001462261827 1068040474 /nfs/dbraw/zinc/04/04/74/1068040474.db2.gz OETVVMIHTXGOLT-UHFFFAOYSA-N 0 0 451.285 4.935 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462261505 1068040490 /nfs/dbraw/zinc/04/04/90/1068040490.db2.gz YWMAHWVWZMDJJM-NSHDSACASA-N 0 0 455.026 4.770 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001462261775 1068040599 /nfs/dbraw/zinc/04/05/99/1068040599.db2.gz NRYQJQOKHNCGGS-BJMVGYQFSA-N 0 0 455.679 4.773 20 0 JJADRN [O-]c1c(Br)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1Br ZINC001462275520 1068042193 /nfs/dbraw/zinc/04/21/93/1068042193.db2.gz UYQVPQKPVGNNEJ-GOSISDBHSA-N 0 0 455.190 4.911 20 0 JJADRN O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462282766 1068043670 /nfs/dbraw/zinc/04/36/70/1068043670.db2.gz WFEMWRQDUYRIBW-SUMWQHHRSA-N 0 0 455.395 4.504 20 0 JJADRN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc(F)cc1I ZINC001462287067 1068044179 /nfs/dbraw/zinc/04/41/79/1068044179.db2.gz DTIPOIAPNRUXMM-LJQANCHMSA-N 0 0 459.249 4.946 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC001462289548 1068044555 /nfs/dbraw/zinc/04/45/55/1068044555.db2.gz IWWSRAKGQUTYAD-MRXNPFEDSA-N 0 0 451.420 4.799 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc(OC)c1OC ZINC001462292713 1068045195 /nfs/dbraw/zinc/04/51/95/1068045195.db2.gz HBLRAGZIZNMMDS-SCLBCKFNSA-N 0 0 451.350 4.631 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC001462294580 1068045292 /nfs/dbraw/zinc/04/52/92/1068045292.db2.gz KYADAALKIUIGRN-CYBMUJFWSA-N 0 0 455.132 4.943 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@H]1CCO[C@@H]1C ZINC001462296378 1068045825 /nfs/dbraw/zinc/04/58/25/1068045825.db2.gz KOTPOIFDXBRERZ-IERDGZPVSA-N 0 0 459.974 4.892 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@H]1CCO[C@H]1C ZINC001462298492 1068046483 /nfs/dbraw/zinc/04/64/83/1068046483.db2.gz QCBUEKAYZXXLTI-BTYIYWSLSA-N 0 0 453.963 4.794 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1scnc1-c1ccccc1)c1cccc(Br)c1 ZINC001546130623 1068046871 /nfs/dbraw/zinc/04/68/71/1068046871.db2.gz WSKXFLMPKYEPEQ-QGZVFWFLSA-N 0 0 459.365 4.536 20 0 JJADRN O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001462299950 1068047035 /nfs/dbraw/zinc/04/70/35/1068047035.db2.gz INISHNXQOVTTRS-UHFFFAOYSA-N 0 0 451.397 4.603 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)CCOc1cc(C)cc(C)c1C ZINC001462302004 1068047538 /nfs/dbraw/zinc/04/75/38/1068047538.db2.gz YSUZCGUCNQEJPA-LJQANCHMSA-N 0 0 454.386 4.577 20 0 JJADRN C[C@H](CN1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462309755 1068048146 /nfs/dbraw/zinc/04/81/46/1068048146.db2.gz XTAXESXFKVJRFD-RTBURBONSA-N 0 0 458.624 4.839 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001462311504 1068048681 /nfs/dbraw/zinc/04/86/81/1068048681.db2.gz SDPOGDAZAOMBJS-LJQANCHMSA-N 0 0 456.464 4.893 20 0 JJADRN COC(=O)c1cccc2c1CCN(Cc1cc(Br)c(C)c(Br)c1)C2 ZINC001462313012 1068049220 /nfs/dbraw/zinc/04/92/20/1068049220.db2.gz KSUUBXQRYSGLOC-UHFFFAOYSA-N 0 0 453.174 4.865 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC001462315281 1068049701 /nfs/dbraw/zinc/04/97/01/1068049701.db2.gz IRDHRBCVYFFIBA-FQEVSTJZSA-N 0 0 456.011 4.981 20 0 JJADRN C[C@@H]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314947 1068049801 /nfs/dbraw/zinc/04/98/01/1068049801.db2.gz PVFXWTCHSGZORQ-HUUCEWRRSA-N 0 0 454.402 4.557 20 0 JJADRN CCC(F)(F)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001462319422 1068050658 /nfs/dbraw/zinc/05/06/58/1068050658.db2.gz LENRDSWNPBTVNF-UHFFFAOYSA-N 0 0 458.477 4.506 20 0 JJADRN COC[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001462323150 1068050959 /nfs/dbraw/zinc/05/09/59/1068050959.db2.gz LXTOVNWUNMYFQZ-KRWDZBQOSA-N 0 0 453.174 4.747 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)SCC(=O)N3)c(I)cc1Cl ZINC001462322812 1068051015 /nfs/dbraw/zinc/05/10/15/1068051015.db2.gz KYKFTJMDGMCFCN-UHFFFAOYSA-N 0 0 458.708 4.550 20 0 JJADRN COC[C@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)c1cccc(Br)c1 ZINC001462322953 1068051193 /nfs/dbraw/zinc/05/11/93/1068051193.db2.gz LKYNWYCCZOQGRI-HNNXBMFYSA-N 0 0 450.358 4.603 20 0 JJADRN COC[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cccc(Br)c1 ZINC001462325916 1068051947 /nfs/dbraw/zinc/05/19/47/1068051947.db2.gz YNGSRKUVIGHXRI-NRFANRHFSA-N 0 0 453.336 4.564 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc(NC(C)=O)c1OC ZINC001462328982 1068052298 /nfs/dbraw/zinc/05/22/98/1068052298.db2.gz FEIFRLSUOLJEPO-JOCHJYFZSA-N 0 0 450.539 4.590 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1F)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001462333110 1068053035 /nfs/dbraw/zinc/05/30/35/1068053035.db2.gz NUYCTSPEBWIWSN-HSZRJFAPSA-N 0 0 454.521 4.789 20 0 JJADRN O=C(Nc1cc(Cl)cc(Cl)c1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC001462338163 1068054009 /nfs/dbraw/zinc/05/40/09/1068054009.db2.gz XOMIGJYZWARRLN-UHFFFAOYSA-N 0 0 450.274 4.762 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1c1cccc(F)c1 ZINC001462339868 1068054625 /nfs/dbraw/zinc/05/46/25/1068054625.db2.gz TXDZWNPRSHQIMO-BJKOFHAPSA-N 0 0 468.548 4.702 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCC[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2nc1CC ZINC001462342633 1068054998 /nfs/dbraw/zinc/05/49/98/1068054998.db2.gz DMLZDVGGRRBZIR-JPYJTQIMSA-N 0 0 452.599 4.616 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c2cccc3OC)n1 ZINC001462341863 1068055177 /nfs/dbraw/zinc/05/51/77/1068055177.db2.gz QGDRGZKNYDCLRG-IVCQMTBJSA-N 0 0 455.555 4.572 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462347618 1068056384 /nfs/dbraw/zinc/05/63/84/1068056384.db2.gz FXVZAUPVESZTRO-BXWFABGCSA-N 0 0 456.505 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001462348106 1068056602 /nfs/dbraw/zinc/05/66/02/1068056602.db2.gz HAYPXEXNPXXFBG-GMAHTHKFSA-N 0 0 451.567 4.522 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC001462348494 1068056644 /nfs/dbraw/zinc/05/66/44/1068056644.db2.gz HMBKGQMNWCAGHJ-FQEVSTJZSA-N 0 0 452.382 4.603 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001462353733 1068057868 /nfs/dbraw/zinc/05/78/68/1068057868.db2.gz TYMMCXAXIGBWRB-MRXNPFEDSA-N 0 0 451.386 4.909 20 0 JJADRN CC(=O)N(c1nc(CNc2ccc(C(N)=O)cc2OC(C)C)cs1)c1cccc(Cl)c1 ZINC001462356971 1068058116 /nfs/dbraw/zinc/05/81/16/1068058116.db2.gz QGISAUMXTNKYJD-UHFFFAOYSA-N 0 0 458.971 4.979 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1Br)c1cccc(C)c1 ZINC001462360560 1068059032 /nfs/dbraw/zinc/05/90/32/1068059032.db2.gz BMQVTAISVRVAAL-INIZCTEOSA-N 0 0 455.146 4.554 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H](OC)C2)CCOCC1 ZINC001546131095 1068059649 /nfs/dbraw/zinc/05/96/49/1068059649.db2.gz OMEQRZQBGGDSNQ-JKSUJKDBSA-N 0 0 483.476 4.837 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2c(C)noc2C)CCCC1 ZINC001546131117 1068060525 /nfs/dbraw/zinc/06/05/25/1068060525.db2.gz PLCZMLCDUAEADZ-UHFFFAOYSA-N 0 0 471.627 4.560 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N1CCc3c1cccc3Br)CCO2 ZINC001462366820 1068060927 /nfs/dbraw/zinc/06/09/27/1068060927.db2.gz MYMIECAKGUXUEY-MRXNPFEDSA-N 0 0 451.405 4.760 20 0 JJADRN CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001462367433 1068061079 /nfs/dbraw/zinc/06/10/79/1068061079.db2.gz LJCYZXKCTAQEIX-NHTMILBNSA-N 0 0 454.636 4.566 20 0 JJADRN CC1(C)CC[C@H](NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC001462372080 1068062084 /nfs/dbraw/zinc/06/20/84/1068062084.db2.gz UJNNFKUTMMJUCV-RPWUZVMVSA-N 0 0 454.636 4.638 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)no1 ZINC001462373984 1068062159 /nfs/dbraw/zinc/06/21/59/1068062159.db2.gz HFOZZAZROLLHCY-UHFFFAOYSA-N 0 0 454.910 4.567 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc2ccccc21 ZINC001462379727 1068062940 /nfs/dbraw/zinc/06/29/40/1068062940.db2.gz ZKDRIFZYWDQJEY-UHFFFAOYSA-N 0 0 451.544 4.742 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001462381272 1068063212 /nfs/dbraw/zinc/06/32/12/1068063212.db2.gz SKQLOAFWYZIODJ-FAJAVTLNSA-N 0 0 463.416 4.677 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(Br)nc2)[C@@H]1C(F)(F)F ZINC001462380657 1068063318 /nfs/dbraw/zinc/06/33/18/1068063318.db2.gz OIYFNLVSBPCEJO-ZFWWWQNUSA-N 0 0 452.315 4.512 20 0 JJADRN COc1ccc(NC(=O)c2cc3c(cc2Br)OCO3)cc1C(=O)c1ccccc1 ZINC001462399693 1068065997 /nfs/dbraw/zinc/06/59/97/1068065997.db2.gz WWTAMZUHERMIAD-UHFFFAOYSA-N 0 0 454.276 4.670 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1c3ccccc3N(C(=O)OC(C)(C)C)C1(C)C)CO2 ZINC001462409162 1068067621 /nfs/dbraw/zinc/06/76/21/1068067621.db2.gz FAGHUMGWUFJVKD-VGOFRKELSA-N 0 0 452.551 4.638 20 0 JJADRN COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001462410218 1068067864 /nfs/dbraw/zinc/06/78/64/1068067864.db2.gz WLQNGEPLKIIGDV-UHFFFAOYSA-N 0 0 455.845 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)c2csc(-c3ncccn3)n2)C1(C)C ZINC001462410717 1068068046 /nfs/dbraw/zinc/06/80/46/1068068046.db2.gz JQBSCODMENXZEQ-QGZVFWFLSA-N 0 0 451.552 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)c2csc(-c3ncccn3)n2)C1(C)C ZINC001462410708 1068068306 /nfs/dbraw/zinc/06/83/06/1068068306.db2.gz JQBSCODMENXZEQ-KRWDZBQOSA-N 0 0 451.552 4.605 20 0 JJADRN CS(=O)(=O)[C@@H]1CN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C[C@H]1C(F)(F)F ZINC001462420513 1068070671 /nfs/dbraw/zinc/07/06/71/1068070671.db2.gz GQLAVXRPAMIBBA-BXUZGUMPSA-N 0 0 459.342 4.524 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462422230 1068071518 /nfs/dbraw/zinc/07/15/18/1068071518.db2.gz MDBMSAZIJORYFZ-BHIYHBOVSA-N 0 0 455.396 4.985 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2cccnc2)C2CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001462427392 1068072124 /nfs/dbraw/zinc/07/21/24/1068072124.db2.gz BNMQVYANWJTWNS-NRFANRHFSA-N 0 0 457.500 4.580 20 0 JJADRN Cn1nc(C(=O)Nc2ccccc2Oc2cccc(I)c2)cc1Cl ZINC001462431212 1068073077 /nfs/dbraw/zinc/07/30/77/1068073077.db2.gz DFBMEXWFNXSLSK-UHFFFAOYSA-N 0 0 453.667 4.723 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001462430974 1068073102 /nfs/dbraw/zinc/07/31/02/1068073102.db2.gz YPXHTAUDMMYQTD-ZJOUEHCJSA-N 0 0 452.448 4.766 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001462429709 1068073146 /nfs/dbraw/zinc/07/31/46/1068073146.db2.gz WFAFIHZGYJSFMI-HXUWFJFHSA-N 0 0 459.384 4.685 20 0 JJADRN Cc1cc(CCC(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)ccc1Br ZINC001462430476 1068073311 /nfs/dbraw/zinc/07/33/11/1068073311.db2.gz FVFLGACXBFSHKR-UHFFFAOYSA-N 0 0 453.384 4.541 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001462430971 1068073327 /nfs/dbraw/zinc/07/33/27/1068073327.db2.gz YPXHTAUDMMYQTD-SVFBPWRDSA-N 0 0 452.448 4.766 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1 ZINC001462432709 1068073465 /nfs/dbraw/zinc/07/34/65/1068073465.db2.gz ANDKXRXYPKTIPU-OAQYLSRUSA-N 0 0 452.551 4.765 20 0 JJADRN CNC(=O)NC[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)CCO1 ZINC001462435445 1068073518 /nfs/dbraw/zinc/07/35/18/1068073518.db2.gz ATFZMMQEGHLUHX-INIZCTEOSA-N 0 0 458.773 4.569 20 0 JJADRN Cc1cc(OCCCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443771 1068075843 /nfs/dbraw/zinc/07/58/43/1068075843.db2.gz OHDUAMWPEYIKIA-RLWLMLJZSA-N 0 0 457.014 4.699 20 0 JJADRN COC1(c2noc(CC3CCN(Cc4cccc(F)c4OC(F)(F)F)CC3)n2)CCCC1 ZINC001462447452 1068076554 /nfs/dbraw/zinc/07/65/54/1068076554.db2.gz SOIVYNKBMGGKMS-UHFFFAOYSA-N 0 0 457.468 4.978 20 0 JJADRN CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1=O ZINC001546131694 1068076724 /nfs/dbraw/zinc/07/67/24/1068076724.db2.gz IYRYMAKSQAHQOW-ZWKOTPCHSA-N 0 0 454.592 4.990 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001462451057 1068077366 /nfs/dbraw/zinc/07/73/66/1068077366.db2.gz IMOXDRQDAUJYOC-MRXNPFEDSA-N 0 0 455.805 4.518 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001462452476 1068077766 /nfs/dbraw/zinc/07/77/66/1068077766.db2.gz RCZYTEXHDVJDFJ-AWEZNQCLSA-N 0 0 458.839 4.641 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](c4ccccc4Cl)C3(C)C)C2=O)c1 ZINC001462453787 1068077858 /nfs/dbraw/zinc/07/78/58/1068077858.db2.gz QFWUIBIBXQPAKC-FPOVZHCZSA-N 0 0 453.970 4.648 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NCCc3sccc3Br)c2C(F)(F)F)cc1 ZINC001462464410 1068079865 /nfs/dbraw/zinc/07/98/65/1068079865.db2.gz DEFMHUUIQMQLHV-UHFFFAOYSA-N 0 0 458.303 4.996 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cccnc3Sc3ccccc3)C2)nc1C ZINC001462464160 1068079918 /nfs/dbraw/zinc/07/99/18/1068079918.db2.gz UUFSYNRGGKEJBJ-MRXNPFEDSA-N 0 0 453.589 4.804 20 0 JJADRN CCCc1c(C(=O)N2CCN(Cc3ccc(CC)cc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001462469934 1068080791 /nfs/dbraw/zinc/08/07/91/1068080791.db2.gz JWWTXBOVMYZVTO-UHFFFAOYSA-N 0 0 459.638 4.864 20 0 JJADRN COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC001462469172 1068080843 /nfs/dbraw/zinc/08/08/43/1068080843.db2.gz KHHBZGPMEZDZHN-UHFFFAOYSA-N 0 0 450.583 4.550 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001462480421 1068082312 /nfs/dbraw/zinc/08/23/12/1068082312.db2.gz QYSVZFCXQPNVQK-UHFFFAOYSA-N 0 0 456.512 4.661 20 0 JJADRN COc1ccc([C@H]2CCN(Cc3cc(Br)cc(Br)c3N)C2)cc1F ZINC001462480658 1068082658 /nfs/dbraw/zinc/08/26/58/1068082658.db2.gz OEWSPGALPWQQJW-LBPRGKRZSA-N 0 0 458.169 4.931 20 0 JJADRN C[C@H](CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 ZINC001462483828 1068083006 /nfs/dbraw/zinc/08/30/06/1068083006.db2.gz ULSOFRBVFBYLKY-QZTJIDSGSA-N 0 0 455.986 4.832 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001462489216 1068083900 /nfs/dbraw/zinc/08/39/00/1068083900.db2.gz QTVKNZITIRSWAI-UHFFFAOYSA-N 0 0 455.480 4.950 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)nc1C ZINC001462493277 1068084798 /nfs/dbraw/zinc/08/47/98/1068084798.db2.gz CCWFAJXMKUOSMQ-UHFFFAOYSA-N 0 0 455.407 4.959 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC001462497338 1068085578 /nfs/dbraw/zinc/08/55/78/1068085578.db2.gz SXVQBPOSTBLGEQ-HXUWFJFHSA-N 0 0 453.302 4.917 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2cc3ccccc3o2)cc1 ZINC001462499371 1068086139 /nfs/dbraw/zinc/08/61/39/1068086139.db2.gz CPYWHYJUHDEPRD-QFIPXVFZSA-N 0 0 450.535 4.805 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CCCOc1ccccc1Br ZINC001462499341 1068086152 /nfs/dbraw/zinc/08/61/52/1068086152.db2.gz BTNQHAGUVWYYQK-INIZCTEOSA-N 0 0 455.393 4.514 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1 ZINC001462499628 1068086515 /nfs/dbraw/zinc/08/65/15/1068086515.db2.gz CSLCNCORNQZXFV-IBGZPJMESA-N 0 0 450.963 4.898 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1 ZINC001462501782 1068086816 /nfs/dbraw/zinc/08/68/16/1068086816.db2.gz RPIQFAMMBBNOHZ-SDHSZQHLSA-N 0 0 480.605 4.606 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@H](C)Oc3cccc(C(C)(C)C)c3)CC2)n1 ZINC001462506283 1068087096 /nfs/dbraw/zinc/08/70/96/1068087096.db2.gz RCKFQHMJYFOVIS-KRWDZBQOSA-N 0 0 458.624 4.866 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)cc1 ZINC001462511576 1068088365 /nfs/dbraw/zinc/08/83/65/1068088365.db2.gz GXNUUMHOBAUVEN-VSKRKVRLSA-N 0 0 456.583 4.993 20 0 JJADRN O=C(c1ccccc1I)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001462514118 1068088914 /nfs/dbraw/zinc/08/89/14/1068088914.db2.gz QMYVLLKZFLZNQR-INIZCTEOSA-N 0 0 457.315 4.701 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(C)nc3c2)c1 ZINC001462516943 1068089278 /nfs/dbraw/zinc/08/92/78/1068089278.db2.gz KUECJPMONKCGRZ-NRFANRHFSA-N 0 0 451.523 4.579 20 0 JJADRN Cc1cc(Oc2ccc(CN(C)C(=O)C(C)(C)S(=O)(=O)C3CC3)c(Cl)c2)ccc1F ZINC001462523790 1068090881 /nfs/dbraw/zinc/09/08/81/1068090881.db2.gz NEISILVXPYNDGX-UHFFFAOYSA-N 0 0 453.963 4.894 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC001462524148 1068091483 /nfs/dbraw/zinc/09/14/83/1068091483.db2.gz RXLILKNTLIKYCT-LEWJYISDSA-N 0 0 468.541 4.802 20 0 JJADRN COc1cccc2c1OCCC[C@H]2NC(=O)c1cc(Br)cc(Br)c1 ZINC001462525525 1068091569 /nfs/dbraw/zinc/09/15/69/1068091569.db2.gz AEKDITYCHVIEEO-OAHLLOKOSA-N 0 0 455.146 4.864 20 0 JJADRN Cc1c(C(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)nnn1-c1ccn(C)n1 ZINC001462524742 1068091633 /nfs/dbraw/zinc/09/16/33/1068091633.db2.gz CVMAKMJGFLYPMF-OAHLLOKOSA-N 0 0 450.930 4.588 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCSC2)CCOCC1 ZINC001546132259 1068092269 /nfs/dbraw/zinc/09/22/69/1068092269.db2.gz BHTMOLQNAAIDDJ-FQEVSTJZSA-N 0 0 474.671 4.889 20 0 JJADRN CN(Cc1cscc1Br)C(=O)c1ccc(I)c(F)c1 ZINC001462529431 1068092369 /nfs/dbraw/zinc/09/23/69/1068092369.db2.gz IROBLSPVGNWSQZ-UHFFFAOYSA-N 0 0 454.102 4.527 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001462530250 1068092623 /nfs/dbraw/zinc/09/26/23/1068092623.db2.gz LBNBHUSCPACZMK-SQWLQELKSA-N 0 0 453.258 4.566 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462531342 1068092737 /nfs/dbraw/zinc/09/27/37/1068092737.db2.gz IVHDPGUWWSQMTI-NTKDMRAZSA-N 0 0 458.961 4.980 20 0 JJADRN CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC001462533828 1068093258 /nfs/dbraw/zinc/09/32/58/1068093258.db2.gz PTJCSEDNSGTZFC-UHFFFAOYSA-N 0 0 453.963 4.976 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCC1 ZINC001546132297 1068093913 /nfs/dbraw/zinc/09/39/13/1068093913.db2.gz CVVIMZAADUWQBE-INIZCTEOSA-N 0 0 469.939 4.684 20 0 JJADRN Fc1cccc(Cc2nnc3n2CCN(Cc2cc(Br)c(Cl)s2)C3)c1F ZINC001462541106 1068094640 /nfs/dbraw/zinc/09/46/40/1068094640.db2.gz MYZOABXSECSKGF-UHFFFAOYSA-N 0 0 459.747 4.640 20 0 JJADRN CN(Cc1cccc(S(N)(=O)=O)c1)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001462541070 1068094770 /nfs/dbraw/zinc/09/47/70/1068094770.db2.gz MOWYKMBKLLUGRI-UHFFFAOYSA-N 0 0 452.910 4.690 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H](C)c1ccc(I)cc1 ZINC001462542996 1068095105 /nfs/dbraw/zinc/09/51/05/1068095105.db2.gz GHJXAHDBTSHTQH-NSHDSACASA-N 0 0 457.695 4.782 20 0 JJADRN CCc1ccccc1NC(=O)C[C@@H](C)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546845 1068095895 /nfs/dbraw/zinc/09/58/95/1068095895.db2.gz KRSASPPFFGYLKO-MRXNPFEDSA-N 0 0 458.628 4.506 20 0 JJADRN CCO[C@@H]1C[C@H](N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548290 1068095975 /nfs/dbraw/zinc/09/59/75/1068095975.db2.gz OMXOVUGBZKGZNS-NNMXDRDESA-N 0 0 475.680 4.864 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)c3cccnc3OCc3ccccc3F)sc2c1 ZINC001462546876 1068096249 /nfs/dbraw/zinc/09/62/49/1068096249.db2.gz YEZPKHSKDSDDII-UHFFFAOYSA-N 0 0 451.479 4.838 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)C1CCc2ccccc2CC1)C(C)C ZINC001462552991 1068097066 /nfs/dbraw/zinc/09/70/66/1068097066.db2.gz KHQQTEPDFMPNNK-QGZVFWFLSA-N 0 0 456.608 4.602 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(NC(C)=O)CC2)CCC1 ZINC001546132464 1068099108 /nfs/dbraw/zinc/09/91/08/1068099108.db2.gz JUEXZYXUMCMUMB-UHFFFAOYSA-N 0 0 478.410 4.532 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001462565487 1068099202 /nfs/dbraw/zinc/09/92/02/1068099202.db2.gz FPIKQNRNYWLAGG-FYYLOGMGSA-N 0 0 455.961 4.802 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001546132494 1068099456 /nfs/dbraw/zinc/09/94/56/1068099456.db2.gz KOVNMDUJYIVMJY-KSSFIOAISA-N 0 0 451.384 4.898 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570168 1068100670 /nfs/dbraw/zinc/10/06/70/1068100670.db2.gz STJNAQZFHOTRJM-ICSRJNTNSA-N 0 0 457.615 4.507 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC001462574661 1068101778 /nfs/dbraw/zinc/10/17/78/1068101778.db2.gz QGNZJQPRQHVTIM-XFQXTVEOSA-N 0 0 453.535 4.726 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(Br)cc(Br)c2N)C[C@H]1C1CC1 ZINC001462575290 1068101864 /nfs/dbraw/zinc/10/18/64/1068101864.db2.gz ZMYKTVRTTMXTAH-LSDHHAIUSA-N 0 0 474.237 4.594 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC001462578350 1068103156 /nfs/dbraw/zinc/10/31/56/1068103156.db2.gz GSPIQEQGYAWZNW-FXAWDEMLSA-N 0 0 450.297 4.527 20 0 JJADRN CN(C(=O)C1CCN(CC(F)F)CC1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001462587387 1068105144 /nfs/dbraw/zinc/10/51/44/1068105144.db2.gz LFZYINVOELMEOI-NRFANRHFSA-N 0 0 451.355 4.974 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589836 1068105742 /nfs/dbraw/zinc/10/57/42/1068105742.db2.gz KRXMKODNUJVTFQ-SUMGPEMVSA-N 0 0 450.004 4.543 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCOC(F)(F)C(F)(F)F)cc12 ZINC001462593197 1068107531 /nfs/dbraw/zinc/10/75/31/1068107531.db2.gz HCSBQFSVWJJSGQ-UHFFFAOYSA-N 0 0 453.820 4.950 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CCC1 ZINC001546132713 1068108869 /nfs/dbraw/zinc/10/88/69/1068108869.db2.gz QVNOECWSFXACEK-GOSISDBHSA-N 0 0 473.065 4.951 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(S(=O)(=O)CC)CC2)CCCC1 ZINC001546132735 1068109398 /nfs/dbraw/zinc/10/93/98/1068109398.db2.gz ROPZSIAVDKJRFP-UHFFFAOYSA-N 0 0 495.089 4.981 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OC(C)(C)C)c2)cc1 ZINC001462599688 1068109416 /nfs/dbraw/zinc/10/94/16/1068109416.db2.gz LZOZOKALCOASKA-UHFFFAOYSA-N 0 0 458.624 4.747 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC001462617275 1068112895 /nfs/dbraw/zinc/11/28/95/1068112895.db2.gz DJWIVENEMPVYEO-DNVCBOLYSA-N 0 0 450.398 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC001462620642 1068113591 /nfs/dbraw/zinc/11/35/91/1068113591.db2.gz HVSQGODSNJOCOA-JOCHJYFZSA-N 0 0 453.631 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CCC[C@@H]12 ZINC001462621654 1068114067 /nfs/dbraw/zinc/11/40/67/1068114067.db2.gz CACRQUHPGPWVDD-NTKDMRAZSA-N 0 0 455.580 4.662 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCS(=O)(=O)CC)CCCC1 ZINC001546132889 1068114986 /nfs/dbraw/zinc/11/49/86/1068114986.db2.gz ZDGNHKZIWPJSIG-UHFFFAOYSA-N 0 0 457.015 4.579 20 0 JJADRN Cc1cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)nc(-c2ccc(Cl)cc2)n1 ZINC001462622022 1068114993 /nfs/dbraw/zinc/11/49/93/1068114993.db2.gz CYNANYBHEYRLKD-DVECYGJZSA-N 0 0 456.974 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CCC[C@H]12 ZINC001462630138 1068117622 /nfs/dbraw/zinc/11/76/22/1068117622.db2.gz SXPZQPWNZBIQNA-SUWCGCSTSA-N 0 0 454.489 4.737 20 0 JJADRN CCc1c(C(=O)NCC2(c3ccc(Br)cc3)CC2)cnn1-c1ccc(OC)cc1 ZINC001462631598 1068118092 /nfs/dbraw/zinc/11/80/92/1068118092.db2.gz AWROTNMXQUYASS-UHFFFAOYSA-N 0 0 454.368 4.667 20 0 JJADRN Cn1ncc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1C(F)F ZINC001462632392 1068118930 /nfs/dbraw/zinc/11/89/30/1068118930.db2.gz ACTHRDYPFQTSLZ-YJBOKZPZSA-N 0 0 454.562 4.684 20 0 JJADRN CC[C@H]1[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001462635018 1068119619 /nfs/dbraw/zinc/11/96/19/1068119619.db2.gz RLWDZMXKMVKFSA-ROUUACIJSA-N 0 0 451.405 4.633 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001462636392 1068120223 /nfs/dbraw/zinc/12/02/23/1068120223.db2.gz YZQBRADGLVJMQC-YJBOKZPZSA-N 0 0 453.421 4.782 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001462643504 1068122513 /nfs/dbraw/zinc/12/25/13/1068122513.db2.gz PESWFXKPUIUFJG-FCHUYYIVSA-N 0 0 450.380 4.771 20 0 JJADRN Cc1nc2c(cccc2CCNC(=O)CCc2ncc(-c3ccccc3Br)o2)o1 ZINC001462643167 1068122546 /nfs/dbraw/zinc/12/25/46/1068122546.db2.gz HRMVEKMAZJSTPB-UHFFFAOYSA-N 0 0 454.324 4.845 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N(C)C[C@H]3CN(c4ccccc4)C(=O)O3)cc2)cs1 ZINC001462646263 1068122828 /nfs/dbraw/zinc/12/28/28/1068122828.db2.gz OJFYSVRXWCQMNI-FQEVSTJZSA-N 0 0 453.589 4.841 20 0 JJADRN Cc1ccc(N(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462651794 1068124382 /nfs/dbraw/zinc/12/43/82/1068124382.db2.gz ULBFTWJOQHOZNT-LEEZEASISA-N 0 0 454.998 4.640 20 0 JJADRN Cc1ccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(Sc2ccccc2)c1 ZINC001462652466 1068124472 /nfs/dbraw/zinc/12/44/72/1068124472.db2.gz GNYRBEQABGYIRX-RUZDIDTESA-N 0 0 456.608 4.902 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)O3)cc12 ZINC001462653737 1068125227 /nfs/dbraw/zinc/12/52/27/1068125227.db2.gz HYGAMZUMJBEJLT-MAUKXSAKSA-N 0 0 455.477 4.823 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC[C@H]3CCN3C(=O)OC(C)(C)C)c3c(C)noc3n2)c(C)s1 ZINC001462658930 1068126449 /nfs/dbraw/zinc/12/64/49/1068126449.db2.gz DYXAJUOKGZDPLJ-OAHLLOKOSA-N 0 0 456.568 4.616 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCc2cnc3ccccc3c2)[C@@H]1c1ccccc1OC ZINC001462659055 1068126465 /nfs/dbraw/zinc/12/64/65/1068126465.db2.gz BDCCYLYXTOWWKZ-HOFKKMOUSA-N 0 0 459.590 4.682 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC[C@@H]3CCN3C(=O)OC(C)(C)C)c3c(C)noc3n2)c(C)s1 ZINC001462658924 1068126468 /nfs/dbraw/zinc/12/64/68/1068126468.db2.gz DYXAJUOKGZDPLJ-HNNXBMFYSA-N 0 0 456.568 4.616 20 0 JJADRN O=C(NCCc1cnc2ccccc2c1)c1c(F)ccc(I)c1Cl ZINC001462662025 1068127263 /nfs/dbraw/zinc/12/72/63/1068127263.db2.gz LLIKLMYGCZYIGS-UHFFFAOYSA-N 0 0 454.670 4.604 20 0 JJADRN COC(=O)c1ccc(CN2CCC(C(=O)c3ccccc3Cl)CC2)c(Br)c1 ZINC001462669565 1068127920 /nfs/dbraw/zinc/12/79/20/1068127920.db2.gz YTKZJCDTCJJZKX-UHFFFAOYSA-N 0 0 450.760 4.984 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1cccc(C(F)(F)F)c1 ZINC001462678239 1068129185 /nfs/dbraw/zinc/12/91/85/1068129185.db2.gz YJGFMCMMYLJXJO-MRXNPFEDSA-N 0 0 456.214 4.858 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001462679361 1068129841 /nfs/dbraw/zinc/12/98/41/1068129841.db2.gz LTZJYYGGMJRHAH-UHFFFAOYSA-N 0 0 459.859 4.980 20 0 JJADRN COc1cc(C2(C(=O)NC[C@@H]3CCC4(CC(C(=O)OC(C)(C)C)C4)O3)CCCC2)ccc1C ZINC001462682434 1068130523 /nfs/dbraw/zinc/13/05/23/1068130523.db2.gz ZREDFUFGJDFHSL-AHRWMNNESA-N 0 0 457.611 4.601 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001462690463 1068132196 /nfs/dbraw/zinc/13/21/96/1068132196.db2.gz BZTIEUQTXBOFTI-SMDDNHRTSA-N 0 0 456.877 4.587 20 0 JJADRN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(Br)sc1Br ZINC001462692507 1068133338 /nfs/dbraw/zinc/13/33/38/1068133338.db2.gz ZKJXZTJRIDGUCF-POYBYMJQSA-N 0 0 451.102 4.503 20 0 JJADRN COc1cc(F)cc(F)c1S(=O)(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC001462696243 1068134161 /nfs/dbraw/zinc/13/41/61/1068134161.db2.gz QTVAANUKLGEJOQ-UHFFFAOYSA-N 0 0 458.438 4.823 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1F ZINC001462697196 1068134695 /nfs/dbraw/zinc/13/46/95/1068134695.db2.gz WWAMSAPRFQEVHX-UHFFFAOYSA-N 0 0 452.459 4.878 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001462699745 1068135114 /nfs/dbraw/zinc/13/51/14/1068135114.db2.gz STUAZPKDDFERFP-RBUKOAKNSA-N 0 0 451.405 4.594 20 0 JJADRN Cc1c(C(=O)NCc2coc(-c3ccc(C)cc3)n2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001462699526 1068135175 /nfs/dbraw/zinc/13/51/75/1068135175.db2.gz FZBKQJXYTJBEKZ-UHFFFAOYSA-N 0 0 455.440 4.547 20 0 JJADRN Cc1ccc(Oc2cc(Cl)ccc2CN(C)C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c(C)c1 ZINC001462706048 1068137656 /nfs/dbraw/zinc/13/76/56/1068137656.db2.gz DKHXVOLQNGQBPR-HSZRJFAPSA-N 0 0 452.942 4.634 20 0 JJADRN CCc1ccc([C@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2C)N(C)C)cc1 ZINC001462706203 1068137700 /nfs/dbraw/zinc/13/77/00/1068137700.db2.gz HMJHOGVZWQRCHO-SFHVURJKSA-N 0 0 459.837 4.555 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cc(Br)c2ccccc2c1 ZINC001462708281 1068138243 /nfs/dbraw/zinc/13/82/43/1068138243.db2.gz WELOCIIJXKXLKK-UHFFFAOYSA-N 0 0 454.290 4.837 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cc(Br)c2ccccc2c1 ZINC001462708079 1068138307 /nfs/dbraw/zinc/13/83/07/1068138307.db2.gz UBVFRCHXAWFFIH-UHFFFAOYSA-N 0 0 459.727 4.870 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC001462709939 1068139020 /nfs/dbraw/zinc/13/90/20/1068139020.db2.gz MSAVPOKHXXEHQS-MRXNPFEDSA-N 0 0 453.720 4.925 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001462717497 1068140700 /nfs/dbraw/zinc/14/07/00/1068140700.db2.gz GJDATSQQPSAQJY-UHFFFAOYSA-N 0 0 456.178 4.701 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001462717996 1068141276 /nfs/dbraw/zinc/14/12/76/1068141276.db2.gz GKBXFXLMGWJGOH-BEFAXECRSA-N 0 0 457.523 4.705 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)cc1 ZINC001462721009 1068141688 /nfs/dbraw/zinc/14/16/88/1068141688.db2.gz JEJOKDLKUUSHJE-OAQYLSRUSA-N 0 0 455.986 4.554 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(Cl)c(F)cc1Br ZINC001462723137 1068142687 /nfs/dbraw/zinc/14/26/87/1068142687.db2.gz LANNDLGXADJZJE-VXGBXAGGSA-N 0 0 463.775 4.865 20 0 JJADRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462723418 1068142842 /nfs/dbraw/zinc/14/28/42/1068142842.db2.gz OZYMETJTOCVGEY-QHAWAJNXSA-N 0 0 456.627 4.898 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc2ccc(Br)cc2s1 ZINC001462723595 1068143510 /nfs/dbraw/zinc/14/35/10/1068143510.db2.gz PBFUUIWBGLJWHE-INIZCTEOSA-N 0 0 458.333 4.924 20 0 JJADRN CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001462726123 1068143919 /nfs/dbraw/zinc/14/39/19/1068143919.db2.gz UNJPDHVOBLMYPA-XXBNENTESA-N 0 0 452.526 4.524 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(Br)ccc1OC(F)F ZINC001462725051 1068144033 /nfs/dbraw/zinc/14/40/33/1068144033.db2.gz VXGDCMMZVWZQOW-CHWSQXEVSA-N 0 0 477.346 4.673 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)CC2(CCOCC2)C1 ZINC001462726564 1068144716 /nfs/dbraw/zinc/14/47/16/1068144716.db2.gz YEQKFFKOZOGRMQ-SFHVURJKSA-N 0 0 456.539 4.608 20 0 JJADRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(N(C)C)nc1 ZINC001462729176 1068145952 /nfs/dbraw/zinc/14/59/52/1068145952.db2.gz MUCPZQRGGXTXGI-MRXNPFEDSA-N 0 0 450.029 4.685 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1Br ZINC001462734626 1068147590 /nfs/dbraw/zinc/14/75/90/1068147590.db2.gz ZYRWOJRLEHTQKV-UHFFFAOYSA-N 0 0 453.141 4.790 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)c(C)c1 ZINC001462736164 1068148292 /nfs/dbraw/zinc/14/82/92/1068148292.db2.gz WXWOPTMLWKYQJE-IBGZPJMESA-N 0 0 452.576 4.914 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC001462737433 1068148923 /nfs/dbraw/zinc/14/89/23/1068148923.db2.gz IBTDRRXOOAPCPC-UHFFFAOYSA-N 0 0 455.580 4.509 20 0 JJADRN CN(C(=O)c1ccc(Br)cc1Cl)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001462736801 1068148945 /nfs/dbraw/zinc/14/89/45/1068148945.db2.gz DUFAJMDGKQOCRM-UHFFFAOYSA-N 0 0 454.752 4.799 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1)c1ccc2c(c1)OCCO2 ZINC001462737575 1068149381 /nfs/dbraw/zinc/14/93/81/1068149381.db2.gz IPFRMLAFKBEKIU-QFIPXVFZSA-N 0 0 451.972 4.576 20 0 JJADRN COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1cc(C)ns1 ZINC001462739132 1068149525 /nfs/dbraw/zinc/14/95/25/1068149525.db2.gz IMKZXRAKYJVZMH-UHFFFAOYSA-N 0 0 454.529 4.633 20 0 JJADRN Cc1cc(SCC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)c(C)cc1Br ZINC001462738832 1068149553 /nfs/dbraw/zinc/14/95/53/1068149553.db2.gz ZBHOPJKPPDIZLQ-QGZVFWFLSA-N 0 0 456.446 4.640 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001462739398 1068150113 /nfs/dbraw/zinc/15/01/13/1068150113.db2.gz XVBIRQXNELUOQV-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN CC[C@H](C)c1ccc([C@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C(C)C)cc1 ZINC001462739309 1068150127 /nfs/dbraw/zinc/15/01/27/1068150127.db2.gz JGXOQACJLVKHMT-OYHNWAKOSA-N 0 0 451.560 4.810 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl ZINC001462742778 1068151828 /nfs/dbraw/zinc/15/18/28/1068151828.db2.gz VBWQVPQZHFFSMP-UHFFFAOYSA-N 0 0 453.951 4.680 20 0 JJADRN COc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1OC ZINC001462743530 1068151887 /nfs/dbraw/zinc/15/18/87/1068151887.db2.gz HBLULDQTEHKGEU-KRWDZBQOSA-N 0 0 454.445 4.927 20 0 JJADRN CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC001462743683 1068152578 /nfs/dbraw/zinc/15/25/78/1068152578.db2.gz AZRGLZNMMDCOJS-UHFFFAOYSA-N 0 0 455.910 4.837 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CCC1 ZINC001546134012 1068153098 /nfs/dbraw/zinc/15/30/98/1068153098.db2.gz IPJORHMLYFGEQT-DNVCBOLYSA-N 0 0 468.520 4.699 20 0 JJADRN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(F)nc1F ZINC001462747192 1068153170 /nfs/dbraw/zinc/15/31/70/1068153170.db2.gz NVSHJWZGOCOHAK-UHFFFAOYSA-N 0 0 454.454 4.841 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462748151 1068153902 /nfs/dbraw/zinc/15/39/02/1068153902.db2.gz RXFIUOBFGAEWOV-IHPCNDPISA-N 0 0 459.555 4.746 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001546134033 1068154385 /nfs/dbraw/zinc/15/43/85/1068154385.db2.gz JCEWIRYRSCADBM-CQSZACIVSA-N 0 0 451.434 4.848 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1cc(-c2ccccc2Cl)on1 ZINC001462751664 1068155783 /nfs/dbraw/zinc/15/57/83/1068155783.db2.gz CGNWBOVBIDHYEM-UHFFFAOYSA-N 0 0 457.715 4.873 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001462754361 1068156526 /nfs/dbraw/zinc/15/65/26/1068156526.db2.gz HATGIGGTNNGVKL-HKUYNNGSSA-N 0 0 459.633 4.914 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001462754381 1068156528 /nfs/dbraw/zinc/15/65/28/1068156528.db2.gz HATGIGGTNNGVKL-PKOBYXMFSA-N 0 0 459.633 4.914 20 0 JJADRN Cc1nc(CCC(=O)N[C@H]2c3ccccc3OC[C@H]2F)oc1-c1ccc(Br)cc1 ZINC001462756484 1068156871 /nfs/dbraw/zinc/15/68/71/1068156871.db2.gz KXHJJRVZVGKHGO-UTKZUKDTSA-N 0 0 459.315 4.933 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N(CC)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001462759743 1068158237 /nfs/dbraw/zinc/15/82/37/1068158237.db2.gz TYGGHNPWAMBCTA-AWEZNQCLSA-N 0 0 452.646 4.676 20 0 JJADRN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c(OC)c1 ZINC001462762980 1068158815 /nfs/dbraw/zinc/15/88/15/1068158815.db2.gz INIUSPXIFHXLNL-GOSISDBHSA-N 0 0 450.919 4.570 20 0 JJADRN C[C@H](c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1)C(F)(F)F ZINC001462763128 1068158822 /nfs/dbraw/zinc/15/88/22/1068158822.db2.gz HYBZYKZRLYJLCD-CJNGLKHVSA-N 0 0 450.448 4.975 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462763108 1068158902 /nfs/dbraw/zinc/15/89/02/1068158902.db2.gz LDROYHPLAZPDLB-WOJBJXKFSA-N 0 0 463.500 4.826 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCC[C@@H](SC)C2)CCOCC1 ZINC001546134093 1068158980 /nfs/dbraw/zinc/15/89/80/1068158980.db2.gz LDMRDBAJDOOVGD-HXUWFJFHSA-N 0 0 474.671 4.891 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)C2(c3cc(Br)ccc3OC)CC2)c1Cl ZINC001462764934 1068159405 /nfs/dbraw/zinc/15/94/05/1068159405.db2.gz BRMIJUGFMBZLLJ-UHFFFAOYSA-N 0 0 456.695 4.707 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001462764524 1068159483 /nfs/dbraw/zinc/15/94/83/1068159483.db2.gz LSIPBCAVRAMZQS-INIZCTEOSA-N 0 0 457.802 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC001462763475 1068159495 /nfs/dbraw/zinc/15/94/95/1068159495.db2.gz JPPSBANSQGZLJS-ZDUSSCGKSA-N 0 0 451.341 4.935 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001462763591 1068159609 /nfs/dbraw/zinc/15/96/09/1068159609.db2.gz ZIPTXDMTNSHRFT-UHFFFAOYSA-N 0 0 454.558 4.801 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)nnc1-c1ccccc1 ZINC001462769516 1068161815 /nfs/dbraw/zinc/16/18/15/1068161815.db2.gz PEIFVVCRSAITSX-IFXJQAMLSA-N 0 0 456.509 4.901 20 0 JJADRN CCCO[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771011 1068162416 /nfs/dbraw/zinc/16/24/16/1068162416.db2.gz WXOQXAVCYAMWAE-YPAWHYETSA-N 0 0 452.492 4.781 20 0 JJADRN O=C(CCc1cccc(F)c1Br)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770456 1068162441 /nfs/dbraw/zinc/16/24/41/1068162441.db2.gz QTRYQNRHPGQBMP-SJLPKXTDSA-N 0 0 473.308 4.700 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nccc(-c2ccc(F)c(F)c2)n1 ZINC001462773978 1068163722 /nfs/dbraw/zinc/16/37/22/1068163722.db2.gz ACLIGQXIOHWSPY-UHFFFAOYSA-N 0 0 459.865 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NC[C@H]2CCC3(CCC3)CO2)CC1 ZINC001462775634 1068164239 /nfs/dbraw/zinc/16/42/39/1068164239.db2.gz HFFUHVANZMVVIN-JOCHJYFZSA-N 0 0 456.627 4.955 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3c(cncc3Br)s2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462775657 1068164372 /nfs/dbraw/zinc/16/43/72/1068164372.db2.gz SJWOMWITRCWIGX-CHWSQXEVSA-N 0 0 468.417 4.682 20 0 JJADRN Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)Cc2ccc(C3CCCCC3)cc2)cc1 ZINC001462776615 1068164732 /nfs/dbraw/zinc/16/47/32/1068164732.db2.gz KBKZKIDLAVUFQY-AREMUKBSSA-N 0 0 456.652 4.536 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)C(C)(C)c3cccc(C(F)(F)F)n3)cc2)ccn1 ZINC001462776090 1068164810 /nfs/dbraw/zinc/16/48/10/1068164810.db2.gz KYCQSPJXSOXWSH-UHFFFAOYSA-N 0 0 459.424 4.991 20 0 JJADRN COCCOc1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)c(Cl)c1 ZINC001462776767 1068164858 /nfs/dbraw/zinc/16/48/58/1068164858.db2.gz OUTUCJIVXRSDPW-UHFFFAOYSA-N 0 0 456.882 4.591 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3cncc(-c4ccc(OC)cc4)c3)cc2)ccn1 ZINC001462776571 1068164931 /nfs/dbraw/zinc/16/49/31/1068164931.db2.gz NKYPCCHDRAUBOG-UHFFFAOYSA-N 0 0 455.470 4.983 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1F ZINC001462779577 1068165806 /nfs/dbraw/zinc/16/58/06/1068165806.db2.gz ZSWZBFPXUIZARZ-UHFFFAOYSA-N 0 0 450.329 4.742 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3C(F)(F)F)ccc21 ZINC001462779680 1068165824 /nfs/dbraw/zinc/16/58/24/1068165824.db2.gz XLHUQCAQXPDXDB-UHFFFAOYSA-N 0 0 454.514 4.560 20 0 JJADRN COC(=O)[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc2ccccc21 ZINC001462787885 1068167551 /nfs/dbraw/zinc/16/75/51/1068167551.db2.gz VEULIVKYZWPOTN-HHHXNRCGSA-N 0 0 455.510 4.828 20 0 JJADRN Cc1ccc(CN(CCCC(C)C)C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)o1 ZINC001462789963 1068167870 /nfs/dbraw/zinc/16/78/70/1068167870.db2.gz PGYVSCVUJFPIPG-UHFFFAOYSA-N 0 0 452.592 4.835 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001462790670 1068168467 /nfs/dbraw/zinc/16/84/67/1068168467.db2.gz JYUAZMUGAXTNJT-UHFFFAOYSA-N 0 0 454.523 4.657 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(F)cc1F ZINC001462791166 1068168535 /nfs/dbraw/zinc/16/85/35/1068168535.db2.gz MRLUIZLDPYYDLU-JOCHJYFZSA-N 0 0 452.457 4.641 20 0 JJADRN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462792285 1068168982 /nfs/dbraw/zinc/16/89/82/1068168982.db2.gz QFRJFRUJOADKNL-UHFFFAOYSA-N 0 0 458.436 4.816 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)c1ccc(F)cc1F ZINC001462793934 1068169026 /nfs/dbraw/zinc/16/90/26/1068169026.db2.gz WXPHIOJMYXFULE-MRXNPFEDSA-N 0 0 452.816 4.837 20 0 JJADRN CS(=O)(=O)C1CCC(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC001462795458 1068169570 /nfs/dbraw/zinc/16/95/70/1068169570.db2.gz TYASTOLLSSUAES-RVAKQSJFSA-N 0 0 453.576 4.518 20 0 JJADRN Cc1cccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1Cl ZINC001462798994 1068171159 /nfs/dbraw/zinc/17/11/59/1068171159.db2.gz PNFWOFYSERRNOB-UHFFFAOYSA-N 0 0 458.967 4.525 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001546134160 1068171165 /nfs/dbraw/zinc/17/11/65/1068171165.db2.gz NUXQYLATNPSATD-LJQANCHMSA-N 0 0 463.420 4.768 20 0 JJADRN COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CCCc2cc(C(C)C)ccc21 ZINC001462802748 1068171793 /nfs/dbraw/zinc/17/17/93/1068171793.db2.gz CPHBVBKZHOACKX-UHFFFAOYSA-N 0 0 452.370 4.501 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CCC1 ZINC001546134183 1068172298 /nfs/dbraw/zinc/17/22/98/1068172298.db2.gz OGFBXNFENBVVFN-OAQYLSRUSA-N 0 0 454.615 4.950 20 0 JJADRN CCOC(=O)N[C@@H](CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)CC(C)C ZINC001462805760 1068172312 /nfs/dbraw/zinc/17/23/12/1068172312.db2.gz MDROYUASRSLKFR-QGZVFWFLSA-N 0 0 454.976 4.571 20 0 JJADRN CC(C)c1ccc2c(c1)CCCN2S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001462809500 1068172991 /nfs/dbraw/zinc/17/29/91/1068172991.db2.gz PJYUXKGYAVBPJS-NRFANRHFSA-N 0 0 456.608 4.551 20 0 JJADRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2C)cc1OCC ZINC001462811615 1068173306 /nfs/dbraw/zinc/17/33/06/1068173306.db2.gz DDEGOEWTQGTNIB-OAHLLOKOSA-N 0 0 456.402 4.736 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)c1ccccc1OC(F)F ZINC001462812457 1068173991 /nfs/dbraw/zinc/17/39/91/1068173991.db2.gz BXKXEWPPYFLXNX-AWEZNQCLSA-N 0 0 452.292 4.928 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c1 ZINC001462814499 1068174582 /nfs/dbraw/zinc/17/45/82/1068174582.db2.gz SUOMUATUORKMKG-NVXWUHKLSA-N 0 0 456.951 4.927 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@@H](Oc3cc(Cl)cc(Cl)c3)c3ccccc3)O2)CO1 ZINC001462816830 1068175085 /nfs/dbraw/zinc/17/50/85/1068175085.db2.gz KVJVQNMERYABLE-LQIDWMMKSA-N 0 0 450.362 4.956 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001462817524 1068175611 /nfs/dbraw/zinc/17/56/11/1068175611.db2.gz PKBJXBDWEHPXMY-IBGZPJMESA-N 0 0 457.379 4.574 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@H](Oc3cc(Cl)cc(Cl)c3)c3ccccc3)O2)CO1 ZINC001462816845 1068175638 /nfs/dbraw/zinc/17/56/38/1068175638.db2.gz KVJVQNMERYABLE-ZAEYZJMZSA-N 0 0 450.362 4.956 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001462817414 1068175647 /nfs/dbraw/zinc/17/56/47/1068175647.db2.gz OAYZIUFGKTYSAP-MRXNPFEDSA-N 0 0 459.420 4.897 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC001462818470 1068175666 /nfs/dbraw/zinc/17/56/66/1068175666.db2.gz SBWKLHXXAHGTGE-FZMZJTMJSA-N 0 0 458.349 4.667 20 0 JJADRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)Cc2ccc(Br)c(F)c2)cc1 ZINC001462820820 1068176206 /nfs/dbraw/zinc/17/62/06/1068176206.db2.gz ZBSDIDLETFLHDS-AWEZNQCLSA-N 0 0 456.377 4.727 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001462819842 1068176330 /nfs/dbraw/zinc/17/63/30/1068176330.db2.gz BGMFVSYXFGJMTE-HOTGVXAUSA-N 0 0 459.509 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC001462821461 1068176852 /nfs/dbraw/zinc/17/68/52/1068176852.db2.gz DXJAZIQBKTUUOB-DZGCQCFKSA-N 0 0 455.304 4.840 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)Cc1cccc2ccccc21 ZINC001462822671 1068177289 /nfs/dbraw/zinc/17/72/89/1068177289.db2.gz GSYRWOLXJVYUHX-UHFFFAOYSA-N 0 0 452.308 4.608 20 0 JJADRN O=C(NCCc1ccnn1-c1ccccc1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462825107 1068178050 /nfs/dbraw/zinc/17/80/50/1068178050.db2.gz UEGUPDDCMNHZDP-UHFFFAOYSA-N 0 0 456.237 4.765 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC[C@H]1C(F)(F)F ZINC001462825258 1068178070 /nfs/dbraw/zinc/17/80/70/1068178070.db2.gz OGKORGHGQMHFTC-HSFUPAIVSA-N 0 0 458.908 4.530 20 0 JJADRN O=S(=O)(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(Cl)ccc1Cl ZINC001462825374 1068178364 /nfs/dbraw/zinc/17/83/64/1068178364.db2.gz QRKPMOAVPOLHHU-INIZCTEOSA-N 0 0 451.778 4.901 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001462825881 1068178380 /nfs/dbraw/zinc/17/83/80/1068178380.db2.gz UXBWJGWSNZYWJS-UHFFFAOYSA-N 0 0 458.308 4.805 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1cccc(OC(F)F)c1 ZINC001462826319 1068179166 /nfs/dbraw/zinc/17/91/66/1068179166.db2.gz QVKTZCRMVAALDN-JTQLQIEISA-N 0 0 454.720 4.885 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)cc1OCC ZINC001462826325 1068179209 /nfs/dbraw/zinc/17/92/09/1068179209.db2.gz RHRFYAURPDMFJA-UHFFFAOYSA-N 0 0 457.571 4.820 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2cccc(Cl)c2C(=O)OC)c2ccccc2)cc1 ZINC001462827658 1068179626 /nfs/dbraw/zinc/17/96/26/1068179626.db2.gz CTMUVDVJPHXFRX-JOCHJYFZSA-N 0 0 459.951 4.593 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462828569 1068180233 /nfs/dbraw/zinc/18/02/33/1068180233.db2.gz WDJDWKHJYROAMP-IRXDYDNUSA-N 0 0 458.521 4.568 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001462829113 1068180833 /nfs/dbraw/zinc/18/08/33/1068180833.db2.gz ATTBUJRFAVVKES-VGOFRKELSA-N 0 0 458.986 4.833 20 0 JJADRN O=S(=O)(Oc1ccccc1I)c1ccc2oc3ccccc3c2c1 ZINC001462829691 1068181473 /nfs/dbraw/zinc/18/14/73/1068181473.db2.gz HCVMQJUHTPFEGC-UHFFFAOYSA-N 0 0 450.253 4.958 20 0 JJADRN CC(=O)N(CCC(=O)N1CCC[C@@]1(C)Cc1cccc(Br)c1)Cc1ccccc1 ZINC001462832485 1068182646 /nfs/dbraw/zinc/18/26/46/1068182646.db2.gz WNHMEKVDCWLTKV-DEOSSOPVSA-N 0 0 457.412 4.812 20 0 JJADRN C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)c1cnc(F)c(Br)c1 ZINC001462832985 1068183112 /nfs/dbraw/zinc/18/31/12/1068183112.db2.gz XVAIGGRVXSRKFJ-SFHVURJKSA-N 0 0 456.153 4.983 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)n1 ZINC001462834264 1068183867 /nfs/dbraw/zinc/18/38/67/1068183867.db2.gz SHGCJYHEUBRSPS-UHFFFAOYSA-N 0 0 458.798 4.970 20 0 JJADRN Cc1nc(S(=O)(=O)N[C@H](C)Cc2ccc(Br)cc2)c(-c2ccccc2)s1 ZINC001462836577 1068184596 /nfs/dbraw/zinc/18/45/96/1068184596.db2.gz JJIYDXJCTSHKFF-CYBMUJFWSA-N 0 0 451.411 4.791 20 0 JJADRN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC001462839375 1068185747 /nfs/dbraw/zinc/18/57/47/1068185747.db2.gz XGYVBGOPMZNOAM-LJQANCHMSA-N 0 0 457.523 4.512 20 0 JJADRN COc1cc(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)ccc1OCCC(C)C ZINC001462839390 1068185856 /nfs/dbraw/zinc/18/58/56/1068185856.db2.gz CCECGSXCOKDECJ-UHFFFAOYSA-N 0 0 455.001 4.862 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CCCCc1ccc(Br)cc1 ZINC001462842688 1068186903 /nfs/dbraw/zinc/18/69/03/1068186903.db2.gz JDNQKTPJJRIPLH-SJLPKXTDSA-N 0 0 453.421 4.781 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)C(CC)(CC)c1ccc(Cl)c(Cl)c1)C2 ZINC001462844857 1068187306 /nfs/dbraw/zinc/18/73/06/1068187306.db2.gz ZSXGEMLRRXBEJN-AWEZNQCLSA-N 0 0 452.382 4.855 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(Br)cc1 ZINC001462844518 1068187368 /nfs/dbraw/zinc/18/73/68/1068187368.db2.gz KIXRBDQLRJKSNP-UHFFFAOYSA-N 0 0 452.292 4.604 20 0 JJADRN CCN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001462846064 1068187983 /nfs/dbraw/zinc/18/79/83/1068187983.db2.gz OJHJAJMSJXOPCM-IERDGZPVSA-N 0 0 465.377 4.947 20 0 JJADRN CCOC(=O)C1(C(=O)N(C)Cc2ccccc2Oc2ccc(Br)cc2F)CC1 ZINC001462847377 1068188643 /nfs/dbraw/zinc/18/86/43/1068188643.db2.gz VACRIALFACOZBD-UHFFFAOYSA-N 0 0 450.304 4.682 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC001462847211 1068188783 /nfs/dbraw/zinc/18/87/83/1068188783.db2.gz WXMHOXNWMSXTIT-DOMZBBRYSA-N 0 0 464.374 4.979 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC001462846173 1068188799 /nfs/dbraw/zinc/18/87/99/1068188799.db2.gz AIKIZHLILJECDK-NRFANRHFSA-N 0 0 450.000 4.786 20 0 JJADRN Cc1cc(C(N)=O)cc(S(=O)(=O)Oc2ccc(-c3nc4cc(Cl)ccc4s3)cc2)c1 ZINC001462847705 1068189209 /nfs/dbraw/zinc/18/92/09/1068189209.db2.gz SLRJNCNEKBNNRG-UHFFFAOYSA-N 0 0 458.948 4.792 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC001462849649 1068189937 /nfs/dbraw/zinc/18/99/37/1068189937.db2.gz ZUKWWEDKWBBDDC-LJQANCHMSA-N 0 0 453.963 4.617 20 0 JJADRN CC(=O)NC[C@H](CC(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)CC(C)C ZINC001462852839 1068191085 /nfs/dbraw/zinc/19/10/85/1068191085.db2.gz ZANQSOSRDMJGOI-LPHOPBHVSA-N 0 0 451.405 4.500 20 0 JJADRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(Br)c2F)cs1 ZINC001462855275 1068192383 /nfs/dbraw/zinc/19/23/83/1068192383.db2.gz SBCHCQVNDGCIJH-UHFFFAOYSA-N 0 0 459.337 4.888 20 0 JJADRN O=C(CN(Cc1ccccc1F)S(=O)(=O)CCC1CCCCC1)Nc1ccccc1F ZINC001462856480 1068192935 /nfs/dbraw/zinc/19/29/35/1068192935.db2.gz HNVXIDOGIJZSJN-UHFFFAOYSA-N 0 0 450.551 4.706 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001462856626 1068192982 /nfs/dbraw/zinc/19/29/82/1068192982.db2.gz WFFHYGPOCVUULZ-UHFFFAOYSA-N 0 0 458.324 4.604 20 0 JJADRN CCn1cc(Cl)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)n1 ZINC001462856458 1068193015 /nfs/dbraw/zinc/19/30/15/1068193015.db2.gz XMRWSBMGNHCECT-UHFFFAOYSA-N 0 0 451.914 4.679 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3cccc(Sc4ccccc4)c3)cn2)n1 ZINC001462857882 1068193399 /nfs/dbraw/zinc/19/33/99/1068193399.db2.gz NGQIWDYVUPFJBP-UHFFFAOYSA-N 0 0 450.589 4.514 20 0 JJADRN CC(C)c1ccc(OC2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC001462860620 1068193973 /nfs/dbraw/zinc/19/39/73/1068193973.db2.gz VNBPMZLJYCBNND-UHFFFAOYSA-N 0 0 452.414 4.946 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001462859935 1068194103 /nfs/dbraw/zinc/19/41/03/1068194103.db2.gz ITHDETDPEMYIAR-NRFANRHFSA-N 0 0 452.576 4.845 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc2c1OC(F)(F)O2 ZINC001462862318 1068194487 /nfs/dbraw/zinc/19/44/87/1068194487.db2.gz KUHLCGCJWPPOJP-GOSISDBHSA-N 0 0 455.841 4.869 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(SC)c(C(=O)OC)c2)nnc1-c1cccc(C)c1 ZINC001462861494 1068194508 /nfs/dbraw/zinc/19/45/08/1068194508.db2.gz OLOFAAWXZPMRGX-UHFFFAOYSA-N 0 0 456.593 4.513 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)cn1 ZINC001462863600 1068195197 /nfs/dbraw/zinc/19/51/97/1068195197.db2.gz ZYBHOPPGBDNBOX-UHFFFAOYSA-N 0 0 450.919 4.852 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)c2ccc3nc(C)sc3c2)cn1 ZINC001462862764 1068195237 /nfs/dbraw/zinc/19/52/37/1068195237.db2.gz WEOWAGFZPUUJEA-UHFFFAOYSA-N 0 0 455.561 4.669 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cncc(Br)c1 ZINC001462865461 1068195654 /nfs/dbraw/zinc/19/56/54/1068195654.db2.gz YHNZTZIYDKCBNN-GOSISDBHSA-N 0 0 455.736 4.705 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cncc(Br)c1 ZINC001462865462 1068195678 /nfs/dbraw/zinc/19/56/78/1068195678.db2.gz YHNZTZIYDKCBNN-SFHVURJKSA-N 0 0 455.736 4.705 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC001462870322 1068197976 /nfs/dbraw/zinc/19/79/76/1068197976.db2.gz CNQXAAZDZUXDCP-QFIPXVFZSA-N 0 0 453.535 4.799 20 0 JJADRN CCN(c1cccc(F)c1)S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001462873824 1068198482 /nfs/dbraw/zinc/19/84/82/1068198482.db2.gz RFNWLLPLDSCRJB-UHFFFAOYSA-N 0 0 451.155 4.874 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1Br ZINC001462874770 1068199076 /nfs/dbraw/zinc/19/90/76/1068199076.db2.gz UTCPPZSWDHEDIA-SANMLTNESA-N 0 0 455.761 4.526 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(C)cc1F ZINC001462873948 1068199107 /nfs/dbraw/zinc/19/91/07/1068199107.db2.gz SCOUENZHOKWVII-ZDUSSCGKSA-N 0 0 459.461 4.854 20 0 JJADRN Cc1ccnc(NC(=O)[C@H]2COc3ccc(Br)cc32)c1C(=O)c1ccccc1F ZINC001462877869 1068200152 /nfs/dbraw/zinc/20/01/52/1068200152.db2.gz FLDCGVFWUWTFDS-INIZCTEOSA-N 0 0 455.283 4.637 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 ZINC001462877913 1068200195 /nfs/dbraw/zinc/20/01/95/1068200195.db2.gz QXYTYMSUICJYDC-WJOKGBTCSA-N 0 0 453.545 4.674 20 0 JJADRN C[S@@](=O)(=NC(=O)c1c(Cl)ccc(I)c1F)c1cccc(F)c1 ZINC001462877628 1068200284 /nfs/dbraw/zinc/20/02/84/1068200284.db2.gz CVAIQIOBPDFCFZ-QFIPXVFZSA-N 0 0 455.651 4.520 20 0 JJADRN O=S(=O)(CC=C(Cl)Cl)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462878026 1068200667 /nfs/dbraw/zinc/20/06/67/1068200667.db2.gz ZMIDFMZRMXARBP-INIZCTEOSA-N 0 0 453.160 4.916 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC001462879920 1068201274 /nfs/dbraw/zinc/20/12/74/1068201274.db2.gz FZBXNKPCBKJXAR-SANMLTNESA-N 0 0 452.761 4.800 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC001462880592 1068201612 /nfs/dbraw/zinc/20/16/12/1068201612.db2.gz TUNGWEYKBZIYOT-KRWDZBQOSA-N 0 0 456.539 4.905 20 0 JJADRN O=C(CSc1cccc(Br)c1)Nc1cccc2c1CCN2C(=O)C(F)(F)F ZINC001462881828 1068201748 /nfs/dbraw/zinc/20/17/48/1068201748.db2.gz FBJYDLOXCKORFS-UHFFFAOYSA-N 0 0 459.287 4.631 20 0 JJADRN O=C(Nc1nc2c(s1)CCc1sccc1-2)c1cc(F)ccc1I ZINC001462883372 1068202206 /nfs/dbraw/zinc/20/22/06/1068202206.db2.gz QNGYBCIRCVCXCH-UHFFFAOYSA-N 0 0 456.305 4.966 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N=[S@](C)(=O)c4ccccc4)c(=O)c23)cc1 ZINC001462883079 1068202240 /nfs/dbraw/zinc/20/22/40/1068202240.db2.gz VZXZSKGQEJNBMP-WJOKGBTCSA-N 0 0 451.573 4.507 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC001462884848 1068202645 /nfs/dbraw/zinc/20/26/45/1068202645.db2.gz TUDWKRUDKKCFOL-SANMLTNESA-N 0 0 452.761 4.894 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(C)=O)c(OCCOC(C)C)c1 ZINC001462885573 1068202716 /nfs/dbraw/zinc/20/27/16/1068202716.db2.gz DHIMGXGTDOQYIT-UHFFFAOYSA-N 0 0 450.329 4.716 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 ZINC001462885682 1068202735 /nfs/dbraw/zinc/20/27/35/1068202735.db2.gz FXFRTZIOEVSKBK-UHFFFAOYSA-N 0 0 451.361 4.818 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc(Br)c1 ZINC001462886905 1068203254 /nfs/dbraw/zinc/20/32/54/1068203254.db2.gz XZSSQBJUXVSHDW-NDEPHWFRSA-N 0 0 457.349 4.999 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)c2cccc(OCc3ccccc3Br)c2)c1 ZINC001462886083 1068203289 /nfs/dbraw/zinc/20/32/89/1068203289.db2.gz MONGNXHVVQXPJS-UHFFFAOYSA-N 0 0 453.336 4.664 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC001462887176 1068203326 /nfs/dbraw/zinc/20/33/26/1068203326.db2.gz KVQJNSIDOAAHDP-UHFFFAOYSA-N 0 0 452.016 4.936 20 0 JJADRN CO[C@@H](C(=O)OCc1ccccc1I)c1ccccc1C(F)(F)F ZINC001462893626 1068206010 /nfs/dbraw/zinc/20/60/10/1068206010.db2.gz GFWONEOSLQVOOZ-OAHLLOKOSA-N 0 0 450.194 4.741 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F)CO2 ZINC001462893999 1068206065 /nfs/dbraw/zinc/20/60/65/1068206065.db2.gz IBOBVRRFQCHELR-LBPRGKRZSA-N 0 0 452.429 4.649 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC001462895462 1068206479 /nfs/dbraw/zinc/20/64/79/1068206479.db2.gz KKTQDLQYHQDBGM-IBGZPJMESA-N 0 0 453.944 4.704 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c(F)cc1Br ZINC001462895817 1068207095 /nfs/dbraw/zinc/20/70/95/1068207095.db2.gz YEHDUVRFBSFMFD-CQSZACIVSA-N 0 0 458.393 4.940 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)OCc1ccccc1I ZINC001462896844 1068207677 /nfs/dbraw/zinc/20/76/77/1068207677.db2.gz XBBJIHULTRBKID-UHFFFAOYSA-N 0 0 455.239 4.529 20 0 JJADRN Cc1ccc(CN(C(C)C)S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)s1 ZINC001462898499 1068208173 /nfs/dbraw/zinc/20/81/73/1068208173.db2.gz RSOFQFWYWUNSDH-RTWAWAEBSA-N 0 0 464.653 4.692 20 0 JJADRN COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC001462898584 1068208210 /nfs/dbraw/zinc/20/82/10/1068208210.db2.gz VDCYCCROAJKHIB-GOSISDBHSA-N 0 0 454.386 4.610 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ncccc2NCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135013 1068208802 /nfs/dbraw/zinc/20/88/02/1068208802.db2.gz LWIVGFCMCWHQOP-NFBKMPQASA-N 0 0 458.965 4.567 20 0 JJADRN CC(C)COc1cccc(CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC001462901792 1068209209 /nfs/dbraw/zinc/20/92/09/1068209209.db2.gz ONLMEMCQDXECQE-UHFFFAOYSA-N 0 0 450.757 4.755 20 0 JJADRN O=S(=O)(NCCSCc1cccc2ccccc21)c1ccc(F)cc1Br ZINC001462905689 1068210353 /nfs/dbraw/zinc/21/03/53/1068210353.db2.gz GKJOUTLUTFKBBV-UHFFFAOYSA-N 0 0 454.386 4.953 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)NC1CCN(c3ccc(C(C)(C)C)cc3)CC1)CC2 ZINC001462909274 1068211701 /nfs/dbraw/zinc/21/17/01/1068211701.db2.gz SWVHHGQGPSPCBO-UHFFFAOYSA-N 0 0 454.636 4.868 20 0 JJADRN COc1ccccc1C1(CNS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CCCC1 ZINC001462911754 1068212141 /nfs/dbraw/zinc/21/21/41/1068212141.db2.gz LLQKKCCWDNDUMS-UHFFFAOYSA-N 0 0 459.999 4.633 20 0 JJADRN CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462912181 1068212500 /nfs/dbraw/zinc/21/25/00/1068212500.db2.gz ZPSYPSLHNGZGQG-PKOBYXMFSA-N 0 0 450.601 4.935 20 0 JJADRN COC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccc(OC)cc2)cc1F ZINC001546135114 1068212521 /nfs/dbraw/zinc/21/25/21/1068212521.db2.gz OOUBZDYOMMCSLC-UHFFFAOYSA-N 0 0 455.417 4.656 20 0 JJADRN CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462912172 1068212691 /nfs/dbraw/zinc/21/26/91/1068212691.db2.gz ZPSYPSLHNGZGQG-MJGOQNOKSA-N 0 0 450.601 4.935 20 0 JJADRN O=S(=O)(Oc1cccc2ccc(N3CCCCC3)nc21)c1cscc1Br ZINC001462912299 1068212734 /nfs/dbraw/zinc/21/27/34/1068212734.db2.gz WHMRGBBZMBSIIH-UHFFFAOYSA-N 0 0 453.383 4.817 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccc2scnc21 ZINC001462918219 1068213718 /nfs/dbraw/zinc/21/37/18/1068213718.db2.gz ZGFADFCZGYMFQF-UHFFFAOYSA-N 0 0 458.584 4.859 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)C(c2ccccc2)c2ccccc2)c1 ZINC001462917162 1068213745 /nfs/dbraw/zinc/21/37/45/1068213745.db2.gz VFNQOAMIQRNOFG-UHFFFAOYSA-N 0 0 453.560 4.672 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cc(F)c(F)c(F)c2)[C@@H]1C ZINC001462921839 1068215565 /nfs/dbraw/zinc/21/55/65/1068215565.db2.gz QZMQVAKCSZKYQC-PJIJBLCYSA-N 0 0 455.498 4.848 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC(c3cccc4ccccc43)CC2)c1 ZINC001462923348 1068216029 /nfs/dbraw/zinc/21/60/29/1068216029.db2.gz HPUIHOJPOVWBAN-UHFFFAOYSA-N 0 0 456.995 4.730 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1c(Cl)cccc1Cl ZINC001462924478 1068216564 /nfs/dbraw/zinc/21/65/64/1068216564.db2.gz VLCSHLVXLOIFLK-UHFFFAOYSA-N 0 0 452.787 4.883 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001462925961 1068216697 /nfs/dbraw/zinc/21/66/97/1068216697.db2.gz CKISZEGVSAQTIV-KRWDZBQOSA-N 0 0 451.542 4.970 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462927361 1068217180 /nfs/dbraw/zinc/21/71/80/1068217180.db2.gz FHXCCIJMMFKUBM-PNDHZVEESA-N 0 0 454.542 4.968 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001462927357 1068217213 /nfs/dbraw/zinc/21/72/13/1068217213.db2.gz FGZGHWBDDRZWEH-VOBQZIQPSA-N 0 0 460.496 4.938 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cccc2ccc(=O)[nH]c21 ZINC001462927785 1068217579 /nfs/dbraw/zinc/21/75/79/1068217579.db2.gz ZPUGGCWWUDLIEB-UHFFFAOYSA-N 0 0 458.177 4.816 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1Br)N1CC[C@@H](c2ccccc2)C1 ZINC001462929640 1068218183 /nfs/dbraw/zinc/21/81/83/1068218183.db2.gz UHEUWDVXMDILRI-CYBMUJFWSA-N 0 0 450.276 4.526 20 0 JJADRN CCCOc1cccc(CC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462930216 1068218272 /nfs/dbraw/zinc/21/82/72/1068218272.db2.gz JTDNJGNCGPVOGL-LJQANCHMSA-N 0 0 456.558 4.887 20 0 JJADRN C[C@H]1Cc2cccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)c2O1 ZINC001462930643 1068218620 /nfs/dbraw/zinc/21/86/20/1068218620.db2.gz SGCNYQMNBZQIQP-YCRPNKLZSA-N 0 0 458.377 4.840 20 0 JJADRN O=C1CCc2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)cc21 ZINC001462930605 1068218778 /nfs/dbraw/zinc/21/87/78/1068218778.db2.gz RLDLHJFXFWITSN-JOCHJYFZSA-N 0 0 456.361 4.646 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COCC3CCCCC3)c2)cc1 ZINC001462930706 1068218801 /nfs/dbraw/zinc/21/88/01/1068218801.db2.gz MCWXVPDZADCGLK-FQEVSTJZSA-N 0 0 458.624 4.535 20 0 JJADRN CCCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(NC(=O)OC)c(C)c1 ZINC001462931936 1068219236 /nfs/dbraw/zinc/21/92/36/1068219236.db2.gz KMBFFUOPIFWEJJ-UHFFFAOYSA-N 0 0 455.374 4.537 20 0 JJADRN CC(C)CN(CCc1ccc(F)cc1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001462935305 1068220756 /nfs/dbraw/zinc/22/07/56/1068220756.db2.gz JVONFVXXGFGHJH-UHFFFAOYSA-N 0 0 450.320 4.756 20 0 JJADRN CC1(C)CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c2ccccc21 ZINC001462936847 1068221376 /nfs/dbraw/zinc/22/13/76/1068221376.db2.gz PJUFOMJWSQZPTM-JXFKEZNVSA-N 0 0 450.000 4.846 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1cccc2cccnc21 ZINC001462937527 1068221468 /nfs/dbraw/zinc/22/14/68/1068221468.db2.gz WXTLWJQCGKOPSJ-UHFFFAOYSA-N 0 0 451.361 4.877 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NS(=O)(=O)c2sccc2Cl)cc1OC ZINC001462938419 1068221912 /nfs/dbraw/zinc/22/19/12/1068221912.db2.gz WOXMMIUKMKPQBF-SFHVURJKSA-N 0 0 451.997 4.989 20 0 JJADRN C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001462937918 1068221970 /nfs/dbraw/zinc/22/19/70/1068221970.db2.gz HBRZKUHPYBPYLW-AWEZNQCLSA-N 0 0 459.984 4.534 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001462943300 1068222866 /nfs/dbraw/zinc/22/28/66/1068222866.db2.gz ISNFJOAVFAWKPG-UHFFFAOYSA-N 0 0 457.423 4.732 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1Br ZINC001462945970 1068223943 /nfs/dbraw/zinc/22/39/43/1068223943.db2.gz CABCRMPEDTXLND-AEFFLSMTSA-N 0 0 458.443 4.916 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC001462945100 1068224023 /nfs/dbraw/zinc/22/40/23/1068224023.db2.gz IMFFGTRPCPYQFH-QFIPXVFZSA-N 0 0 455.551 4.810 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c2cc(F)c(F)cc2O1 ZINC001462946557 1068224451 /nfs/dbraw/zinc/22/44/51/1068224451.db2.gz LCRVTOBXXSYKGD-BRWVUGGUSA-N 0 0 458.505 4.561 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c2cc(F)c(F)cc2O1 ZINC001462946567 1068224527 /nfs/dbraw/zinc/22/45/27/1068224527.db2.gz LCRVTOBXXSYKGD-IXDOHACOSA-N 0 0 458.505 4.561 20 0 JJADRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001462947705 1068225149 /nfs/dbraw/zinc/22/51/49/1068225149.db2.gz UALWNDYZBFZENG-SFHVURJKSA-N 0 0 451.510 4.696 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 ZINC001462949680 1068225646 /nfs/dbraw/zinc/22/56/46/1068225646.db2.gz ZNHDMUDITRWPNA-INIZCTEOSA-N 0 0 457.489 4.833 20 0 JJADRN CCC1(Cn2c(-c3ccccc3F)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546135689 1068226103 /nfs/dbraw/zinc/22/61/03/1068226103.db2.gz CVDKYIDDORLLEO-LJQANCHMSA-N 0 0 487.620 4.642 20 0 JJADRN Cc1cc(Br)cc(C)c1CNS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001462952800 1068226814 /nfs/dbraw/zinc/22/68/14/1068226814.db2.gz FNUDIAXQXYQFBP-UHFFFAOYSA-N 0 0 457.699 4.612 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC001462951911 1068226946 /nfs/dbraw/zinc/22/69/46/1068226946.db2.gz PCPFQGWXSFNGKN-UHFFFAOYSA-N 0 0 450.771 4.690 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462955894 1068229013 /nfs/dbraw/zinc/22/90/13/1068229013.db2.gz UKRAPGSDKVNIIM-SFHVURJKSA-N 0 0 452.320 4.718 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1csc(-c3ccc(Br)s3)n1)[C@H]2C ZINC001462954795 1068229030 /nfs/dbraw/zinc/22/90/30/1068229030.db2.gz RPKHTHBHOJBRMR-JTQLQIEISA-N 0 0 452.403 4.566 20 0 JJADRN Cc1nc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1ccccc1C(C)C ZINC001462956608 1068229482 /nfs/dbraw/zinc/22/94/82/1068229482.db2.gz WVLTWXDGDVHTPE-OAQYLSRUSA-N 0 0 452.530 4.651 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957246 1068229580 /nfs/dbraw/zinc/22/95/80/1068229580.db2.gz DIAGVEAZPDLMMC-FZMZJTMJSA-N 0 0 454.770 4.502 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1sc(C2CCCC2)nc1C)c1cccc(Br)c1 ZINC001462959944 1068230327 /nfs/dbraw/zinc/23/03/27/1068230327.db2.gz CVNIXEBOUOTMGO-FQEVSTJZSA-N 0 0 451.386 4.690 20 0 JJADRN CCCc1sc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cc1Br ZINC001462964065 1068230907 /nfs/dbraw/zinc/23/09/07/1068230907.db2.gz HQNKYLYCLJUCHR-UHFFFAOYSA-N 0 0 459.207 4.825 20 0 JJADRN O=S(=O)(NCc1ccnc(OC2CCCCC2)c1)c1ccc(Cl)cc1Br ZINC001462965403 1068231453 /nfs/dbraw/zinc/23/14/53/1068231453.db2.gz ISBIVSXVMCVHKW-UHFFFAOYSA-N 0 0 459.793 4.688 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)c1F ZINC001462967183 1068232326 /nfs/dbraw/zinc/23/23/26/1068232326.db2.gz WFDDPBIQDXFGSW-INIZCTEOSA-N 0 0 456.377 4.549 20 0 JJADRN CCOC(=O)[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(Br)c(Cl)c1 ZINC001462965980 1068232370 /nfs/dbraw/zinc/23/23/70/1068232370.db2.gz ROFSDMBFEBWRBF-LJQANCHMSA-N 0 0 454.748 4.519 20 0 JJADRN O=S(=O)(c1cc(Br)sc1Cl)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001462967771 1068232418 /nfs/dbraw/zinc/23/24/18/1068232418.db2.gz FODFHJKYHRZQAX-UHFFFAOYSA-N 0 0 452.798 4.947 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001462968724 1068232627 /nfs/dbraw/zinc/23/26/27/1068232627.db2.gz GLPMLBPLURTJMS-IAQYHMDHSA-N 0 0 452.267 4.750 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001462969078 1068232741 /nfs/dbraw/zinc/23/27/41/1068232741.db2.gz SQIHOCHDQQOJLM-QRFRQXIXSA-N 0 0 454.361 4.620 20 0 JJADRN CN(C)c1cccc(CCC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001462971136 1068233374 /nfs/dbraw/zinc/23/33/74/1068233374.db2.gz AOOFPHSZXGPWQN-OAQYLSRUSA-N 0 0 451.611 4.806 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001462971612 1068233437 /nfs/dbraw/zinc/23/34/37/1068233437.db2.gz PNLQLYYDEVNBCN-ZFWWWQNUSA-N 0 0 454.695 4.956 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001462971608 1068233454 /nfs/dbraw/zinc/23/34/54/1068233454.db2.gz PNLQLYYDEVNBCN-DZGCQCFKSA-N 0 0 454.695 4.956 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001462971781 1068233468 /nfs/dbraw/zinc/23/34/68/1068233468.db2.gz DFZHZYNVDGROJA-FXAWDEMLSA-N 0 0 454.542 4.812 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001462971786 1068233516 /nfs/dbraw/zinc/23/35/16/1068233516.db2.gz DFZHZYNVDGROJA-PXNSSMCTSA-N 0 0 454.542 4.812 20 0 JJADRN CCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cnn1-c1ccccc1Cl ZINC001462973116 1068234051 /nfs/dbraw/zinc/23/40/51/1068234051.db2.gz AGBGKKYHDNPUGJ-UHFFFAOYSA-N 0 0 452.942 4.722 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462974226 1068234632 /nfs/dbraw/zinc/23/46/32/1068234632.db2.gz OSYYOIBSMQSKKD-UZUQRXQVSA-N 0 0 452.917 4.873 20 0 JJADRN Cc1noc2nc(C)cc(C(=O)N3C[C@H](CCNC(=O)OC(C)(C)C)Cc4ccccc43)c12 ZINC001462978655 1068236870 /nfs/dbraw/zinc/23/68/70/1068236870.db2.gz QNKTUYRCTWZPGQ-QGZVFWFLSA-N 0 0 450.539 4.574 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)S(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001462980954 1068238122 /nfs/dbraw/zinc/23/81/22/1068238122.db2.gz YUSVSAFAOCEPTG-UHFFFAOYSA-N 0 0 459.930 4.936 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC001462981999 1068238553 /nfs/dbraw/zinc/23/85/53/1068238553.db2.gz AQBKHVMYZQVAQP-QMMMGPOBSA-N 0 0 458.592 4.714 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)CCNC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC001462984983 1068239900 /nfs/dbraw/zinc/23/99/00/1068239900.db2.gz JXLBGYBGOVDSQG-UHFFFAOYSA-N 0 0 453.340 4.970 20 0 JJADRN Cn1ncc(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)c1I ZINC001462984780 1068239979 /nfs/dbraw/zinc/23/99/79/1068239979.db2.gz NKSMRQPKQJQJGW-UHFFFAOYSA-N 0 0 451.211 4.511 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001462984553 1068240029 /nfs/dbraw/zinc/24/00/29/1068240029.db2.gz NOGSZCHZDJOFNZ-JTQLQIEISA-N 0 0 455.176 4.946 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1Br ZINC001462986787 1068240448 /nfs/dbraw/zinc/24/04/48/1068240448.db2.gz UAZLFSGDSNMZLZ-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001462986902 1068240475 /nfs/dbraw/zinc/24/04/75/1068240475.db2.gz XAOGBTQHWFVKFC-UHFFFAOYSA-N 0 0 453.951 4.839 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC001462986274 1068240487 /nfs/dbraw/zinc/24/04/87/1068240487.db2.gz TZAOYXUAFSFFTB-SFHVURJKSA-N 0 0 454.361 4.828 20 0 JJADRN Cc1ccccc1C1(CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CCCCC1 ZINC001462985934 1068240499 /nfs/dbraw/zinc/24/04/99/1068240499.db2.gz RWOTZWFKQUGAEQ-UHFFFAOYSA-N 0 0 454.514 4.676 20 0 JJADRN CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987575 1068241049 /nfs/dbraw/zinc/24/10/49/1068241049.db2.gz WVFCRZDYLIDKKB-HSZRJFAPSA-N 0 0 456.652 4.981 20 0 JJADRN CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987579 1068241187 /nfs/dbraw/zinc/24/11/87/1068241187.db2.gz WVFCRZDYLIDKKB-QHCPKHFHSA-N 0 0 456.652 4.981 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)n1 ZINC001462992814 1068242283 /nfs/dbraw/zinc/24/22/83/1068242283.db2.gz KHVDYSAVCGKOTN-UHFFFAOYSA-N 0 0 453.493 4.599 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC001462995013 1068243179 /nfs/dbraw/zinc/24/31/79/1068243179.db2.gz ZMDQTBDCXFUJRS-KRWDZBQOSA-N 0 0 457.514 4.899 20 0 JJADRN Cc1cc(Br)ccc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC001462996491 1068243745 /nfs/dbraw/zinc/24/37/45/1068243745.db2.gz PHOITFCSGHBGQT-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN Cc1csc(C[C@@H]2CCN(C(=O)c3ccc(-n4nc(C)c(Br)c4C)cc3)C2)n1 ZINC001462997684 1068243831 /nfs/dbraw/zinc/24/38/31/1068243831.db2.gz KUVJVNQTNYQUMA-INIZCTEOSA-N 0 0 459.413 4.721 20 0 JJADRN CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(Br)c2)c(C(F)(F)F)c1 ZINC001462998584 1068243972 /nfs/dbraw/zinc/24/39/72/1068243972.db2.gz CTMZWBHUDZVCRD-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN CCc1cccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 ZINC001462998998 1068244430 /nfs/dbraw/zinc/24/44/30/1068244430.db2.gz FHKJKVINVVWZFG-VWLOTQADSA-N 0 0 455.023 4.998 20 0 JJADRN CCCCN(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC001462999637 1068244485 /nfs/dbraw/zinc/24/44/85/1068244485.db2.gz RCVOBPDQJPZEDS-UHFFFAOYSA-N 0 0 459.395 4.951 20 0 JJADRN CCc1onc(C)c1CNC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001463000777 1068245160 /nfs/dbraw/zinc/24/51/60/1068245160.db2.gz XLHOXZGHPUYXLM-UHFFFAOYSA-N 0 0 456.340 4.799 20 0 JJADRN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C(F)(F)F)c1 ZINC001463001780 1068245701 /nfs/dbraw/zinc/24/57/01/1068245701.db2.gz RLSVTCAPBPZHLF-UHFFFAOYSA-N 0 0 458.502 4.566 20 0 JJADRN CCC[C@@H](Cc1ccccc1)N(CCC)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463004640 1068246289 /nfs/dbraw/zinc/24/62/89/1068246289.db2.gz KTRGGRBCHQCXQZ-DQEYMECFSA-N 0 0 456.652 4.744 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)ccc1OC(C)C ZINC001463005197 1068246810 /nfs/dbraw/zinc/24/68/10/1068246810.db2.gz CKPFJXMKNHCRQO-UHFFFAOYSA-N 0 0 453.560 4.618 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cc(Cl)cc2c1OCC2 ZINC001463005274 1068246893 /nfs/dbraw/zinc/24/68/93/1068246893.db2.gz XWLWJSRKBVMBBY-INIZCTEOSA-N 0 0 455.963 4.740 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2)c1cccc(C(F)(F)F)c1 ZINC001463005633 1068247510 /nfs/dbraw/zinc/24/75/10/1068247510.db2.gz YXTZAZBPJFQYCD-FQEVSTJZSA-N 0 0 454.514 4.824 20 0 JJADRN COC(=O)c1ccc(CS(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC001463008348 1068248616 /nfs/dbraw/zinc/24/86/16/1068248616.db2.gz VXEQPHBXJFHHLK-QFIPXVFZSA-N 0 0 450.000 4.738 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2c(Cl)c(Cl)ccc2C(C)=O)c1 ZINC001463008426 1068248640 /nfs/dbraw/zinc/24/86/40/1068248640.db2.gz JPVMEWFDXYZWGJ-UHFFFAOYSA-N 0 0 451.711 4.794 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC001463009494 1068249256 /nfs/dbraw/zinc/24/92/56/1068249256.db2.gz HSEKTNLHCJQGPJ-CYBMUJFWSA-N 0 0 453.174 4.872 20 0 JJADRN CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463008972 1068249285 /nfs/dbraw/zinc/24/92/85/1068249285.db2.gz WZXLMTTVLVENTB-SFHVURJKSA-N 0 0 453.988 4.752 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(c3c(F)cccc3F)CCCC2)c1 ZINC001463011291 1068250384 /nfs/dbraw/zinc/25/03/84/1068250384.db2.gz UGGAGGGVBNDWIU-UHFFFAOYSA-N 0 0 457.926 4.585 20 0 JJADRN CC1(C)C[C@H](CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)(C)O1 ZINC001463010811 1068250452 /nfs/dbraw/zinc/25/04/52/1068250452.db2.gz YJAHEBFNQAFVLX-LJQANCHMSA-N 0 0 450.608 4.736 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CCOCC1 ZINC001546135838 1068250470 /nfs/dbraw/zinc/25/04/70/1068250470.db2.gz HRXVQEIQPSDFPR-FQEVSTJZSA-N 0 0 456.631 4.944 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CCOCC1 ZINC001546135839 1068250487 /nfs/dbraw/zinc/25/04/87/1068250487.db2.gz HRXVQEIQPSDFPR-HXUWFJFHSA-N 0 0 456.631 4.944 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1 ZINC001463011333 1068250549 /nfs/dbraw/zinc/25/05/49/1068250549.db2.gz XPUFHEIUJJONLN-IBGZPJMESA-N 0 0 453.560 4.790 20 0 JJADRN COc1ccc(C[C@@H](NS(=O)(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2)cc1OC ZINC001463012256 1068250905 /nfs/dbraw/zinc/25/09/05/1068250905.db2.gz AUBKWVLOOZTCSM-JOCHJYFZSA-N 0 0 455.576 4.592 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)NCC[C@H]2OCCc3ccccc32)cc1 ZINC001463013226 1068251653 /nfs/dbraw/zinc/25/16/53/1068251653.db2.gz CVKRMCINHGJKDZ-OAQYLSRUSA-N 0 0 452.601 4.913 20 0 JJADRN O=S(=O)(Cc1ccsc1Br)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001463017539 1068253117 /nfs/dbraw/zinc/25/31/17/1068253117.db2.gz BRQDUUFDNMVTCK-UHFFFAOYSA-N 0 0 456.427 4.720 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(Br)c(Br)c2)C1 ZINC001463017315 1068253261 /nfs/dbraw/zinc/25/32/61/1068253261.db2.gz GPNPYQQOQKUTLK-QWHCGFSZSA-N 0 0 461.194 4.586 20 0 JJADRN 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20 0 JJADRN O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC001463055242 1068268016 /nfs/dbraw/zinc/26/80/16/1068268016.db2.gz JFOJZAAELAJVRQ-OAQYLSRUSA-N 0 0 453.048 4.596 20 0 JJADRN Cn1ncc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1C(F)(F)F ZINC001463055084 1068268169 /nfs/dbraw/zinc/26/81/69/1068268169.db2.gz INBORIZXQMYEAU-UHFFFAOYSA-N 0 0 455.424 4.591 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC001463056880 1068268786 /nfs/dbraw/zinc/26/87/86/1068268786.db2.gz QVKUUHVQSIYOMU-NHCUHLMSSA-N 0 0 477.026 4.996 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCc1ccc(Br)cc1 ZINC001463060563 1068270530 /nfs/dbraw/zinc/27/05/30/1068270530.db2.gz ZHHIYZZGTGCIPD-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN O=S(=O)(N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1)N1CCCC1 ZINC001463060750 1068270651 /nfs/dbraw/zinc/27/06/51/1068270651.db2.gz ADPLAUKUOZFZJZ-UHFFFAOYSA-N 0 0 451.386 4.546 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)NCCc2nc(C(C)(C)C)cs2)c(Br)c1 ZINC001463061079 1068271087 /nfs/dbraw/zinc/27/10/87/1068271087.db2.gz QQZLIAVEGQWXTO-UHFFFAOYSA-N 0 0 451.839 4.686 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1Cl ZINC001463061961 1068271179 /nfs/dbraw/zinc/27/11/79/1068271179.db2.gz FGGKVVRNPCURJT-UZUQRXQVSA-N 0 0 451.995 4.679 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463061374 1068271200 /nfs/dbraw/zinc/27/12/00/1068271200.db2.gz CBJBGERNWAVWED-HNNXBMFYSA-N 0 0 459.414 4.704 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)N3CCCC[C@H]3C3(CNC(=O)OC(C)(C)C)CCC3)cc2)o1 ZINC001463062449 1068271635 /nfs/dbraw/zinc/27/16/35/1068271635.db2.gz GKWDJVZWGGMIDO-FQEVSTJZSA-N 0 0 454.571 4.735 20 0 JJADRN Cc1ccc2cccc(S(=O)(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)c2n1 ZINC001463062338 1068271703 /nfs/dbraw/zinc/27/17/03/1068271703.db2.gz YGHLVPHMYDJCOJ-GOSISDBHSA-N 0 0 455.338 4.751 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001463062669 1068271753 /nfs/dbraw/zinc/27/17/53/1068271753.db2.gz LUPKFPYOATYGBE-IBGZPJMESA-N 0 0 457.368 4.542 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)N(C)C3(CNC(=O)OC(C)(C)C)CCOCC3)s2)c(C)c1 ZINC001463064306 1068272687 /nfs/dbraw/zinc/27/26/87/1068272687.db2.gz QUENKIDNQWNORP-UHFFFAOYSA-N 0 0 459.612 4.573 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC001463064339 1068272859 /nfs/dbraw/zinc/27/28/59/1068272859.db2.gz XFPKPOBLCAMLAH-FQEVSTJZSA-N 0 0 458.396 4.841 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1Cl ZINC001463065660 1068274099 /nfs/dbraw/zinc/27/40/99/1068274099.db2.gz IOIMTMNHBLLUJO-LJQANCHMSA-N 0 0 455.338 4.912 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)cs2)cc1 ZINC001463067507 1068274641 /nfs/dbraw/zinc/27/46/41/1068274641.db2.gz OOWRBKVEOHRNPY-CLOONOSVSA-N 0 0 455.624 4.957 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)c1cccc(OCc2cccnc2)c1 ZINC001463069186 1068275229 /nfs/dbraw/zinc/27/52/29/1068275229.db2.gz UBEVHDRKBQDEML-LVXARBLLSA-N 0 0 451.567 4.570 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C(F)F)cc1 ZINC001463069503 1068275309 /nfs/dbraw/zinc/27/53/09/1068275309.db2.gz SRKNSVPUKYURJH-UHFFFAOYSA-N 0 0 452.523 4.790 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)CCc1ccccc1Br ZINC001463070103 1068275989 /nfs/dbraw/zinc/27/59/89/1068275989.db2.gz VSCLMDKMOAJGGM-VGOFRKELSA-N 0 0 451.405 4.678 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)NCCc3cccc(OCCCc4ccccc4)c3)ccc2O1 ZINC001463069938 1068276107 /nfs/dbraw/zinc/27/61/07/1068276107.db2.gz XDMDHZALNKOXBO-HXUWFJFHSA-N 0 0 451.588 4.543 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)CCc1ccccc1OC(F)(F)F ZINC001463070555 1068276643 /nfs/dbraw/zinc/27/66/43/1068276643.db2.gz XMAMXLZJDVKWJX-JTSKRJEESA-N 0 0 456.505 4.814 20 0 JJADRN CCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001463073290 1068277895 /nfs/dbraw/zinc/27/78/95/1068277895.db2.gz ISXGUDJGMZLGMF-CFJPQMKISA-N 0 0 452.495 4.629 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC001463073359 1068277921 /nfs/dbraw/zinc/27/79/21/1068277921.db2.gz UJDAENKMFQQSRC-UHFFFAOYSA-N 0 0 458.392 4.643 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N[C@H](C)c3ccc(F)c(Br)c3)c2)n1 ZINC001463078255 1068280105 /nfs/dbraw/zinc/28/01/05/1068280105.db2.gz HUHNTDGQMJPTPS-CYBMUJFWSA-N 0 0 453.333 4.900 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)s1 ZINC001463081785 1068281232 /nfs/dbraw/zinc/28/12/32/1068281232.db2.gz CCKPMRMPUVJYRA-NRFANRHFSA-N 0 0 455.601 4.638 20 0 JJADRN O=C(c1cc(F)c(Oc2ccccc2)c(F)c1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001463089837 1068283410 /nfs/dbraw/zinc/28/34/10/1068283410.db2.gz RVPVCZMTNPYAQZ-QFIPXVFZSA-N 0 0 457.498 4.759 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)NCCCc2cccc(Br)c2)cc1Cl ZINC001463090294 1068283498 /nfs/dbraw/zinc/28/34/98/1068283498.db2.gz XEIUXQAQMLPBOM-UHFFFAOYSA-N 0 0 453.185 4.676 20 0 JJADRN O=S(=O)(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094600 1068284788 /nfs/dbraw/zinc/28/47/88/1068284788.db2.gz IHQDZGWMAHTJNV-HNNXBMFYSA-N 0 0 453.313 4.565 20 0 JJADRN CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463102412 1068288278 /nfs/dbraw/zinc/28/82/78/1068288278.db2.gz ZESHVLWHFUMAJW-NHYWBVRUSA-N 0 0 458.340 4.588 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NS(=O)(=O)c1ncccc1Br ZINC001463103272 1068288827 /nfs/dbraw/zinc/28/88/27/1068288827.db2.gz AMCQXVUJPFPLJL-CYBMUJFWSA-N 0 0 452.399 4.624 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)ccc1OCCOc1ccccc1 ZINC001463105827 1068289529 /nfs/dbraw/zinc/28/95/29/1068289529.db2.gz FTJCGWHSYSNMFH-JOCHJYFZSA-N 0 0 451.494 4.936 20 0 JJADRN CC1CCC(Oc2cc(CNS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)ccn2)CC1 ZINC001463107166 1068289639 /nfs/dbraw/zinc/28/96/39/1068289639.db2.gz ILOODPBCZGFPBU-UHFFFAOYSA-N 0 0 458.502 4.557 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NCCCO[C@H]2CCCc3ccccc32)c2ccccc12 ZINC001463107479 1068289668 /nfs/dbraw/zinc/28/96/68/1068289668.db2.gz RIFYUZMICLKWJA-DEOSSOPVSA-N 0 0 452.576 4.561 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001463110809 1068290566 /nfs/dbraw/zinc/29/05/66/1068290566.db2.gz KGSMUGFBGBNAAD-QFIPXVFZSA-N 0 0 454.567 4.660 20 0 JJADRN O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CCSC[C@@H]1c1ccccc1 ZINC001463113033 1068291630 /nfs/dbraw/zinc/29/16/30/1068291630.db2.gz NEABXDXIWCLKKN-OAHLLOKOSA-N 0 0 450.782 4.720 20 0 JJADRN O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001463115519 1068292168 /nfs/dbraw/zinc/29/21/68/1068292168.db2.gz GDKQRCOQMPTCCY-UHFFFAOYSA-N 0 0 452.241 4.541 20 0 JJADRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)[C@H](C)CO1 ZINC001463115927 1068292782 /nfs/dbraw/zinc/29/27/82/1068292782.db2.gz IRIBJIJSDVHYGE-RDTXWAMCSA-N 0 0 450.354 4.654 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1F ZINC001463116801 1068293358 /nfs/dbraw/zinc/29/33/58/1068293358.db2.gz MNKOMJNQNWSEQS-UHFFFAOYSA-N 0 0 459.477 4.655 20 0 JJADRN CC[C@](C)(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1nc(C)cs1 ZINC001463117563 1068293370 /nfs/dbraw/zinc/29/33/70/1068293370.db2.gz LNUDQJNHUVXNFK-AWEZNQCLSA-N 0 0 457.337 4.837 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001463120546 1068293790 /nfs/dbraw/zinc/29/37/90/1068293790.db2.gz BODSERLGZWOHGI-JLTOFOAXSA-N 0 0 450.919 4.721 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001463121642 1068294332 /nfs/dbraw/zinc/29/43/32/1068294332.db2.gz NEVKPOZFUFEOIM-IKPXGLPCSA-N 0 0 452.620 4.958 20 0 JJADRN CCc1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)s1 ZINC001463125403 1068295540 /nfs/dbraw/zinc/29/55/40/1068295540.db2.gz JJHBZCICSZZZCA-UHFFFAOYSA-N 0 0 453.844 4.777 20 0 JJADRN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC001463126212 1068296191 /nfs/dbraw/zinc/29/61/91/1068296191.db2.gz LKBAPQZLDQLSFM-NQIIRXRSSA-N 0 0 450.000 4.980 20 0 JJADRN COCCOCCOc1cccc(NC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1 ZINC001463127309 1068296738 /nfs/dbraw/zinc/29/67/38/1068296738.db2.gz CUYMJIKEPSGZRP-UHFFFAOYSA-N 0 0 459.546 4.936 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)NCC3(c4cccs4)CCCCC3)cc2N1 ZINC001463130292 1068297205 /nfs/dbraw/zinc/29/72/05/1068297205.db2.gz CZKXCHLCNBWXLN-UHFFFAOYSA-N 0 0 453.029 4.857 20 0 JJADRN O=C(Nc1ccc(Br)c(OCC2CCCCC2)c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001463130276 1068297361 /nfs/dbraw/zinc/29/73/61/1068297361.db2.gz GTUNPOGMEGKYLH-ALOPSCKCSA-N 0 0 450.373 4.588 20 0 JJADRN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(I)c2)c1 ZINC001463132344 1068297855 /nfs/dbraw/zinc/29/78/55/1068297855.db2.gz GYHRNDWNQMVWCE-LJQANCHMSA-N 0 0 455.361 4.906 20 0 JJADRN Cc1noc(Cc2ccc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)n1 ZINC001463134882 1068298582 /nfs/dbraw/zinc/29/85/82/1068298582.db2.gz OMVKRLLNQBIINN-UHFFFAOYSA-N 0 0 454.939 4.839 20 0 JJADRN CC(C)C[C@]1(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)CCNC1=O ZINC001463136737 1068299745 /nfs/dbraw/zinc/29/97/45/1068299745.db2.gz YSEKBZSNCUHOEG-JOCHJYFZSA-N 0 0 451.405 4.899 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 ZINC001463141178 1068300818 /nfs/dbraw/zinc/30/08/18/1068300818.db2.gz RVPIKUGXESGCBI-QHCPKHFHSA-N 0 0 458.967 4.765 20 0 JJADRN Cc1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)ccc1N1CCOCC1=O ZINC001463145112 1068301676 /nfs/dbraw/zinc/30/16/76/1068301676.db2.gz YPJBYNZDJFTVBV-UHFFFAOYSA-N 0 0 457.368 4.571 20 0 JJADRN CC(=O)c1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)cs1 ZINC001463146799 1068302492 /nfs/dbraw/zinc/30/24/92/1068302492.db2.gz GSHQZLPGXYRXCJ-IBGZPJMESA-N 0 0 453.345 4.793 20 0 JJADRN O=C(c1cccnc1OCc1ccccc1F)N1CCc2cc(Br)c(F)cc2C1 ZINC001463147137 1068302508 /nfs/dbraw/zinc/30/25/08/1068302508.db2.gz CUEKZLMFMRWJEH-UHFFFAOYSA-N 0 0 459.290 4.900 20 0 JJADRN CC(C)COc1cc(NC(=O)c2cc3nccc(C(F)(F)F)n3n2)ccc1Br ZINC001463147429 1068302627 /nfs/dbraw/zinc/30/26/27/1068302627.db2.gz XZDWIIRVBXAZSF-UHFFFAOYSA-N 0 0 457.250 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCCc3ccc4ccccc4c3)CC2)C1 ZINC001463147841 1068303257 /nfs/dbraw/zinc/30/32/57/1068303257.db2.gz FNIMWCGQJGYNCW-UHFFFAOYSA-N 0 0 452.595 4.789 20 0 JJADRN C[C@@H](CC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)Cc1ccc(Cl)cc1 ZINC001463150145 1068304141 /nfs/dbraw/zinc/30/41/41/1068304141.db2.gz PTMOJWBGYCMKOV-QGZVFWFLSA-N 0 0 451.007 4.536 20 0 JJADRN O=S(=O)(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(Sc2ccccc2)c1 ZINC001463152473 1068305196 /nfs/dbraw/zinc/30/51/96/1068305196.db2.gz DZLLPWZVEGUJPV-HXUWFJFHSA-N 0 0 453.507 4.869 20 0 JJADRN Cc1cccc([C@@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)OC(C)(C)C)c1 ZINC001463152859 1068305384 /nfs/dbraw/zinc/30/53/84/1068305384.db2.gz URLRMOXICYYKMN-OAQYLSRUSA-N 0 0 455.942 4.830 20 0 JJADRN CC[C@@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)C(C)(C)c1ccccc1 ZINC001463153618 1068305478 /nfs/dbraw/zinc/30/54/78/1068305478.db2.gz QLEXXKZQWQDLDM-LEWJYISDSA-N 0 0 450.442 4.982 20 0 JJADRN COC1CCC(CC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)CC1 ZINC001463152863 1068305497 /nfs/dbraw/zinc/30/54/97/1068305497.db2.gz URNAUYGLZOHCGU-IOYBJCICSA-N 0 0 455.380 4.810 20 0 JJADRN CC[C@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)C(C)(C)c1ccccc1 ZINC001463153633 1068305856 /nfs/dbraw/zinc/30/58/56/1068305856.db2.gz QLEXXKZQWQDLDM-RTWAWAEBSA-N 0 0 450.442 4.982 20 0 JJADRN COC(=O)c1ccc(OC)c(F)c1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001463161671 1068306936 /nfs/dbraw/zinc/30/69/36/1068306936.db2.gz ZKKJODUBEBSBLB-UHFFFAOYSA-N 0 0 453.857 4.866 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(I)c(Cl)c1 ZINC001463166298 1068308225 /nfs/dbraw/zinc/30/82/25/1068308225.db2.gz HMJQEKHQWWHQCP-UHFFFAOYSA-N 0 0 455.601 4.981 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl ZINC001463170264 1068308809 /nfs/dbraw/zinc/30/88/09/1068308809.db2.gz SNDRWIRLEXMNFO-LJQANCHMSA-N 0 0 456.873 4.830 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)C[C@@H](OC)C1CCCCC1)c1ccccc1Cl ZINC001463171690 1068309327 /nfs/dbraw/zinc/30/93/27/1068309327.db2.gz WUYXAVJHUICILE-DHIUTWEWSA-N 0 0 452.016 4.953 20 0 JJADRN Cc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c(F)cc1Br ZINC001463175554 1068309645 /nfs/dbraw/zinc/30/96/45/1068309645.db2.gz RXWRTGOMDYMCBE-UHFFFAOYSA-N 0 0 454.317 4.586 20 0 JJADRN O=S(=O)(C[C@@H]1CCCC2(CCC2)O1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001463174778 1068309782 /nfs/dbraw/zinc/30/97/82/1068309782.db2.gz NKPVPXHINIVJKH-IBGZPJMESA-N 0 0 456.446 4.672 20 0 JJADRN C[C@H]1Cc2cccc(S(=O)(=O)NCC(C)(C)Sc3ccc(Br)cc3)c2O1 ZINC001463178456 1068311001 /nfs/dbraw/zinc/31/10/01/1068311001.db2.gz RPLIWECQNRVDDI-ZDUSSCGKSA-N 0 0 456.427 4.622 20 0 JJADRN CN(C)c1ccc(N2CCC(NS(=O)(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC001463180039 1068311416 /nfs/dbraw/zinc/31/14/16/1068311416.db2.gz SVHVQCOMLAEUIP-UHFFFAOYSA-N 0 0 450.029 4.568 20 0 JJADRN CCC1(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)Cc2ccc(OC)cc2)CCCC1 ZINC001546137159 1068311829 /nfs/dbraw/zinc/31/18/29/1068311829.db2.gz HNQVITJNDGLCMK-FQEVSTJZSA-N 0 0 450.631 4.973 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC001463181827 1068312060 /nfs/dbraw/zinc/31/20/60/1068312060.db2.gz YICKETJRXDDZSG-UHFFFAOYSA-N 0 0 451.394 4.839 20 0 JJADRN COCCOCCOc1ccc(NC(=O)c2ccc3nc(C)ccc3c2)cc1Br ZINC001463182929 1068312294 /nfs/dbraw/zinc/31/22/94/1068312294.db2.gz PASYCYNFDHDHHK-UHFFFAOYSA-N 0 0 459.340 4.600 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC001463182395 1068312341 /nfs/dbraw/zinc/31/23/41/1068312341.db2.gz JJTDPCFLEPAABI-ZDUSSCGKSA-N 0 0 450.885 4.565 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1nc(C2CCCCC2)no1 ZINC001463183369 1068312742 /nfs/dbraw/zinc/31/27/42/1068312742.db2.gz CYEHGXXHEGLUER-CQSZACIVSA-N 0 0 453.992 4.989 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1Cl ZINC001463183326 1068312875 /nfs/dbraw/zinc/31/28/75/1068312875.db2.gz MEIKGUDWCNBUFL-DZGCQCFKSA-N 0 0 458.805 4.925 20 0 JJADRN COCCOCCOc1ccc(NC(=O)C(F)(F)c2ccc(C)cc2)cc1Br ZINC001463185138 1068313729 /nfs/dbraw/zinc/31/37/29/1068313729.db2.gz WTGIGHSDADUHMH-UHFFFAOYSA-N 0 0 458.299 4.530 20 0 JJADRN O=S(=O)(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)c1cccc2c1OCC2 ZINC001463187712 1068313923 /nfs/dbraw/zinc/31/39/23/1068313923.db2.gz UFVPUVQHQZDSMF-UHFFFAOYSA-N 0 0 450.434 4.987 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c(F)c1 ZINC001463189814 1068314520 /nfs/dbraw/zinc/31/45/20/1068314520.db2.gz YUUSOAROHLQIIN-JOCHJYFZSA-N 0 0 457.523 4.558 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCn3nc(C(C)(C)C)cc3C2)nnc1-c1ccccc1 ZINC001463189120 1068314591 /nfs/dbraw/zinc/31/45/91/1068314591.db2.gz QZGCUQFZWADQGN-KRWDZBQOSA-N 0 0 452.628 4.545 20 0 JJADRN O=S(=O)(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1c(F)cccc1Br ZINC001463193532 1068316234 /nfs/dbraw/zinc/31/62/34/1068316234.db2.gz LSYMNZSMESSWJE-UHFFFAOYSA-N 0 0 452.267 4.965 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001463195782 1068316493 /nfs/dbraw/zinc/31/64/93/1068316493.db2.gz UCTRDTMKPNNXRK-HNNXBMFYSA-N 0 0 459.033 4.883 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)s1 ZINC001463196002 1068316749 /nfs/dbraw/zinc/31/67/49/1068316749.db2.gz BULVFYUAYOPLKY-FZKQIMNGSA-N 0 0 451.386 4.516 20 0 JJADRN COC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 ZINC001463198026 1068317600 /nfs/dbraw/zinc/31/76/00/1068317600.db2.gz OJEPUKJNJAFEAZ-LBPRGKRZSA-N 0 0 457.148 4.561 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2c2ccc(CC)o2)c(F)cc1Cl ZINC001463203884 1068319414 /nfs/dbraw/zinc/31/94/14/1068319414.db2.gz XGGKPMCHZCTWCB-SCLBCKFNSA-N 0 0 457.951 4.973 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC001463205091 1068319642 /nfs/dbraw/zinc/31/96/42/1068319642.db2.gz YHNFYHLSDZOHJO-UKRRQHHQSA-N 0 0 450.486 4.769 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Cl)s1 ZINC001463208534 1068320666 /nfs/dbraw/zinc/32/06/66/1068320666.db2.gz YSUIPSORENOEEC-IBGZPJMESA-N 0 0 456.372 4.894 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC001463209103 1068320758 /nfs/dbraw/zinc/32/07/58/1068320758.db2.gz IUQGFBSDOABSHA-BDJLRTHQSA-N 0 0 454.495 4.826 20 0 JJADRN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001463209348 1068321246 /nfs/dbraw/zinc/32/12/46/1068321246.db2.gz PQTJJEMJIUKKLM-HNNXBMFYSA-N 0 0 456.951 4.720 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H]([C@@H]3CCOC3)C(F)(F)F)c3cnn(C(C)C)c3n2)s1 ZINC001463209912 1068321310 /nfs/dbraw/zinc/32/13/10/1068321310.db2.gz MMQOEIZTHXTDRG-FZKQIMNGSA-N 0 0 452.502 4.746 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1C ZINC001463214263 1068322392 /nfs/dbraw/zinc/32/23/92/1068322392.db2.gz UKYBPEYVWSREJS-UHFFFAOYSA-N 0 0 456.511 4.933 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NS(=O)(=O)c3csc4ccc(Cl)cc43)ccc2NC1=O ZINC001463213387 1068322587 /nfs/dbraw/zinc/32/25/87/1068322587.db2.gz MMXSRIXSTBFJHQ-BDJLRTHQSA-N 0 0 450.969 4.704 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(CC)c1 ZINC001463217948 1068323348 /nfs/dbraw/zinc/32/33/48/1068323348.db2.gz ZJBCEPJLLKQUOG-OAQYLSRUSA-N 0 0 454.677 4.934 20 0 JJADRN CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463217897 1068323500 /nfs/dbraw/zinc/32/35/00/1068323500.db2.gz GIRCJCIXEGGLPL-JOYOIKCWSA-N 0 0 451.770 4.539 20 0 JJADRN C[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ccccn1)c1ccc(I)cc1 ZINC001463221275 1068324440 /nfs/dbraw/zinc/32/44/40/1068324440.db2.gz FTSOESGPEZVKJW-IIBYNOLFSA-N 0 0 456.327 4.890 20 0 JJADRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1C ZINC001463221210 1068324764 /nfs/dbraw/zinc/32/47/64/1068324764.db2.gz PORBIHARNKMBHT-MRXNPFEDSA-N 0 0 456.564 4.523 20 0 JJADRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1C ZINC001463221208 1068324851 /nfs/dbraw/zinc/32/48/51/1068324851.db2.gz PORBIHARNKMBHT-INIZCTEOSA-N 0 0 456.564 4.523 20 0 JJADRN CC(=O)N(C)c1ccc(OS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1 ZINC001463224601 1068326365 /nfs/dbraw/zinc/32/63/65/1068326365.db2.gz RKRHJBRDBNAWAB-UHFFFAOYSA-N 0 0 453.141 4.506 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001463225482 1068326646 /nfs/dbraw/zinc/32/66/46/1068326646.db2.gz WDMVHVOFCQWOTH-HTAPYJJXSA-N 0 0 454.357 4.842 20 0 JJADRN O=S(=O)(c1cc(Br)cnc1Cl)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001463225583 1068327221 /nfs/dbraw/zinc/32/72/21/1068327221.db2.gz XRUWPXDAPUIJOK-UHFFFAOYSA-N 0 0 453.745 4.505 20 0 JJADRN CCCNC(=O)[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001463228514 1068327906 /nfs/dbraw/zinc/32/79/06/1068327906.db2.gz VREXBEIXJLDSHT-FQEVSTJZSA-N 0 0 452.558 4.851 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)c2ccccc21 ZINC001463229541 1068328089 /nfs/dbraw/zinc/32/80/89/1068328089.db2.gz BXRHIGOHXOHDGV-MRXNPFEDSA-N 0 0 457.452 4.978 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N2Cc3cccc(Cl)c3C2)c2ccccc2)cc1 ZINC001463232908 1068329954 /nfs/dbraw/zinc/32/99/54/1068329954.db2.gz JMZMLNDIOKOKRQ-UHFFFAOYSA-N 0 0 454.979 4.776 20 0 JJADRN CCO[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(CC)CC ZINC001463235481 1068330237 /nfs/dbraw/zinc/33/02/37/1068330237.db2.gz GJAPJIHYZZWBMQ-IRXDYDNUSA-N 0 0 452.842 4.848 20 0 JJADRN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001463235660 1068330255 /nfs/dbraw/zinc/33/02/55/1068330255.db2.gz WJGOPRLAAKKNNA-HSZRJFAPSA-N 0 0 456.608 4.813 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(CC)CC ZINC001463235467 1068330384 /nfs/dbraw/zinc/33/03/84/1068330384.db2.gz GJAPJIHYZZWBMQ-DLBZAZTESA-N 0 0 452.842 4.848 20 0 JJADRN Cc1c[nH]c(=O)c(CNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)c1 ZINC001463237802 1068331370 /nfs/dbraw/zinc/33/13/70/1068331370.db2.gz YTNRUNVARYMJON-KRWDZBQOSA-N 0 0 454.354 4.627 20 0 JJADRN CCc1ccc(C(C)(C)CNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)cc1 ZINC001463239648 1068331777 /nfs/dbraw/zinc/33/17/77/1068331777.db2.gz NBHSIGJHZHTGSG-OAQYLSRUSA-N 0 0 450.442 4.766 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC001463241246 1068332434 /nfs/dbraw/zinc/33/24/34/1068332434.db2.gz VKJRUDCJJCHUDX-OAQYLSRUSA-N 0 0 450.398 4.517 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1OC(F)F ZINC001463245295 1068333260 /nfs/dbraw/zinc/33/32/60/1068333260.db2.gz CVQAILKFFMOIPX-FQEVSTJZSA-N 0 0 454.445 4.761 20 0 JJADRN C/C(=C\C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001463247121 1068333972 /nfs/dbraw/zinc/33/39/72/1068333972.db2.gz WRNWGDVHDCQDPC-GXDHUFHOSA-N 0 0 450.461 4.736 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463249925 1068334303 /nfs/dbraw/zinc/33/43/03/1068334303.db2.gz NFVFUGUBIGPMPK-VWLOTQADSA-N 0 0 456.558 4.906 20 0 JJADRN C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001463248030 1068334505 /nfs/dbraw/zinc/33/45/05/1068334505.db2.gz CODLICNVVPJLQN-GFCCVEGCSA-N 0 0 457.440 4.886 20 0 JJADRN CN1C(=O)CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)c2ccc(C(F)(F)F)cc21 ZINC001463250473 1068334845 /nfs/dbraw/zinc/33/48/45/1068334845.db2.gz NFGVGKAANCDCPZ-UHFFFAOYSA-N 0 0 459.468 4.847 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1cnc(Cc2ccccc2F)s1 ZINC001463251996 1068335443 /nfs/dbraw/zinc/33/54/43/1068335443.db2.gz PANWPHFAAFTZRP-UHFFFAOYSA-N 0 0 453.926 4.989 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001463251441 1068335459 /nfs/dbraw/zinc/33/54/59/1068335459.db2.gz HGBGMJQOECHCIC-MRXNPFEDSA-N 0 0 455.530 4.577 20 0 JJADRN CCO[C@]12CCC[C@@]1(NC(=O)CCCc1nnc(-c3ccc(Cl)cc3Cl)o1)CCO2 ZINC001463253767 1068335855 /nfs/dbraw/zinc/33/58/55/1068335855.db2.gz LGOGRKSJZCLNPI-RTWAWAEBSA-N 0 0 454.354 4.558 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N3CC(=O)N(C)c4cc(C(F)(F)F)ccc43)c2)cn1 ZINC001463256166 1068336396 /nfs/dbraw/zinc/33/63/96/1068336396.db2.gz UZFRSUQLXNCQBZ-UHFFFAOYSA-N 0 0 455.436 4.611 20 0 JJADRN CCCCCCOc1ccc(CC(=O)Nc2nc3n(c2C(=O)OC(C)(C)C)CCOC3)cc1 ZINC001463259703 1068337185 /nfs/dbraw/zinc/33/71/85/1068337185.db2.gz RYOWUONLDNOEFW-UHFFFAOYSA-N 0 0 457.571 4.509 20 0 JJADRN COc1cccc([C@@H](NS(=O)(=O)c2cc(C)c(OC)c(C)c2)c2cc(F)ccc2OC)c1 ZINC001463261233 1068337205 /nfs/dbraw/zinc/33/72/05/1068337205.db2.gz CVWVXDDEHMBOOP-HSZRJFAPSA-N 0 0 459.539 4.536 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001463259810 1068337329 /nfs/dbraw/zinc/33/73/29/1068337329.db2.gz OKCHDAXKJNDLGC-CTNGQTDRSA-N 0 0 474.667 4.810 20 0 JJADRN CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1c(F)cc(OC)cc1F ZINC001463259657 1068337349 /nfs/dbraw/zinc/33/73/49/1068337349.db2.gz OLQKGSMFSJQTHB-HXUWFJFHSA-N 0 0 452.910 4.822 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC001463262929 1068338048 /nfs/dbraw/zinc/33/80/48/1068338048.db2.gz KWAWMCMFEXLOIB-SFHVURJKSA-N 0 0 459.852 4.698 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC001463263395 1068338068 /nfs/dbraw/zinc/33/80/68/1068338068.db2.gz RIUCERIUIWMQNT-SFHVURJKSA-N 0 0 453.988 4.966 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463263817 1068339074 /nfs/dbraw/zinc/33/90/74/1068339074.db2.gz PRADMUNFWVFOQP-FQEVSTJZSA-N 0 0 456.980 4.664 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463267865 1068339299 /nfs/dbraw/zinc/33/92/99/1068339299.db2.gz JGTMOXPCJOFXDS-DLBZAZTESA-N 0 0 457.983 4.800 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001463265927 1068339628 /nfs/dbraw/zinc/33/96/28/1068339628.db2.gz UHJYJKUQRQQXHA-IBGZPJMESA-N 0 0 456.782 4.988 20 0 JJADRN CCCCO[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(C)C ZINC001463269346 1068339886 /nfs/dbraw/zinc/33/98/86/1068339886.db2.gz PLPBIGWSSZKTJM-IRXDYDNUSA-N 0 0 452.842 4.848 20 0 JJADRN O=C(NCc1ccc2nonc2c1)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001463271256 1068340623 /nfs/dbraw/zinc/34/06/23/1068340623.db2.gz AUVVNTRZRVDOGV-FQEVSTJZSA-N 0 0 456.271 4.561 20 0 JJADRN CCc1cccc2c(CCNS(=O)(=O)c3c(Cl)cc(C)cc3Br)c[nH]c21 ZINC001463272513 1068340953 /nfs/dbraw/zinc/34/09/53/1068340953.db2.gz NXSYJYHRWOFABE-UHFFFAOYSA-N 0 0 455.805 4.976 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC001463276215 1068341304 /nfs/dbraw/zinc/34/13/04/1068341304.db2.gz MBLLLFUPCCVEAM-UHFFFAOYSA-N 0 0 450.398 4.815 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)Nc2nc3c(cc(F)cc3Br)s2)cc1 ZINC001463277820 1068341854 /nfs/dbraw/zinc/34/18/54/1068341854.db2.gz JOEQWIHQGYARPX-UHFFFAOYSA-N 0 0 451.317 4.737 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)Cc1c(Br)cccc1OC ZINC001463280363 1068343056 /nfs/dbraw/zinc/34/30/56/1068343056.db2.gz POXWUGYXEVSHGA-SFHVURJKSA-N 0 0 456.402 4.673 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC001463281078 1068343088 /nfs/dbraw/zinc/34/30/88/1068343088.db2.gz QPRBTXFMVYYFKG-KRWDZBQOSA-N 0 0 459.486 4.566 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2nc3c(cc(F)cc3Br)s2)C1 ZINC001463282726 1068343620 /nfs/dbraw/zinc/34/36/20/1068343620.db2.gz CHCFFJYAQPFFHR-NSHDSACASA-N 0 0 456.337 4.750 20 0 JJADRN CCCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(OC(F)F)c1 ZINC001463283734 1068344249 /nfs/dbraw/zinc/34/42/49/1068344249.db2.gz ZERZQZXMVWEGJL-UHFFFAOYSA-N 0 0 457.392 4.713 20 0 JJADRN C[C@@H]1CSCCCN1C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463283222 1068344317 /nfs/dbraw/zinc/34/43/17/1068344317.db2.gz HKUKPIDOIJIQOP-OAHLLOKOSA-N 0 0 452.498 4.691 20 0 JJADRN Cc1sc(Br)nc1C(=O)Nc1nc2c(cc(F)cc2Br)s1 ZINC001463286110 1068344805 /nfs/dbraw/zinc/34/48/05/1068344805.db2.gz UEMJEOTVMSAWNO-UHFFFAOYSA-N 0 0 451.140 4.978 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001546137780 1068345249 /nfs/dbraw/zinc/34/52/49/1068345249.db2.gz DPTQIWQBIWVQQL-UHFFFAOYSA-N 0 0 450.579 4.993 20 0 JJADRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnc1C(F)F ZINC001463289857 1068345709 /nfs/dbraw/zinc/34/57/09/1068345709.db2.gz PIDZXDIQBYDXLH-UHFFFAOYSA-N 0 0 459.518 4.520 20 0 JJADRN COCCO[C@]12CCC[C@@]1(NC(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CCO2 ZINC001463288693 1068345753 /nfs/dbraw/zinc/34/57/53/1068345753.db2.gz XTKOHECHYLZWRJ-NHCUHLMSSA-N 0 0 470.513 4.569 20 0 JJADRN C[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463289446 1068345994 /nfs/dbraw/zinc/34/59/94/1068345994.db2.gz JDFFIMLOMCZNSH-BXKMTCNYSA-N 0 0 459.496 4.939 20 0 JJADRN CO[C@H](CNS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1ccccc1Cl ZINC001463291584 1068346438 /nfs/dbraw/zinc/34/64/38/1068346438.db2.gz FIWIYORQWNZHEP-OAHLLOKOSA-N 0 0 453.185 4.730 20 0 JJADRN C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463292987 1068346833 /nfs/dbraw/zinc/34/68/33/1068346833.db2.gz MCWKKDZDEOGYNE-BMIGLBTASA-N 0 0 453.185 4.546 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001463294549 1068347434 /nfs/dbraw/zinc/34/74/34/1068347434.db2.gz NMEJHVBQFCULJY-AWEZNQCLSA-N 0 0 452.354 4.958 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c(Br)c1 ZINC001463293612 1068347527 /nfs/dbraw/zinc/34/75/27/1068347527.db2.gz MYCVGYUKQWJFJW-HXUWFJFHSA-N 0 0 450.329 4.665 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CCC2 ZINC001463294051 1068347653 /nfs/dbraw/zinc/34/76/53/1068347653.db2.gz JLPXQOPVGFMGNG-LBPRGKRZSA-N 0 0 454.923 4.956 20 0 JJADRN O=S(=O)(Oc1cc(F)ccc1Br)c1oc2ccccc2c1Br ZINC001463295085 1068348231 /nfs/dbraw/zinc/34/82/31/1068348231.db2.gz MVOHSXPBQMBRDZ-UHFFFAOYSA-N 0 0 450.079 4.865 20 0 JJADRN CCCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001463296920 1068348681 /nfs/dbraw/zinc/34/86/81/1068348681.db2.gz BSEAGBRLESNNEK-UHFFFAOYSA-N 0 0 454.564 4.681 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001463298234 1068348713 /nfs/dbraw/zinc/34/87/13/1068348713.db2.gz UVASURJLSNODAD-IBGZPJMESA-N 0 0 450.482 4.816 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC001463299192 1068349002 /nfs/dbraw/zinc/34/90/02/1068349002.db2.gz IHSZHUDCBWDNCJ-MRXNPFEDSA-N 0 0 453.486 4.568 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCc1ccccc1SC(F)(F)F ZINC001463299567 1068349567 /nfs/dbraw/zinc/34/95/67/1068349567.db2.gz RRJXDTABACNRRT-LBPRGKRZSA-N 0 0 459.287 4.803 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1Cl ZINC001463302228 1068349947 /nfs/dbraw/zinc/34/99/47/1068349947.db2.gz XXXBLZLMHHAWIM-UHFFFAOYSA-N 0 0 458.683 4.955 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001463309933 1068351451 /nfs/dbraw/zinc/35/14/51/1068351451.db2.gz PGDUCLDAJDNRAR-NRFANRHFSA-N 0 0 458.002 4.953 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1Br)[C@@H](c1ccccc1)C2 ZINC001463310077 1068351725 /nfs/dbraw/zinc/35/17/25/1068351725.db2.gz SQJMITWQLXRPIJ-OAQYLSRUSA-N 0 0 458.377 4.946 20 0 JJADRN O=C(CSc1cccc2cccc(Cl)c21)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001463311312 1068352234 /nfs/dbraw/zinc/35/22/34/1068352234.db2.gz USAKKROATXPPGY-VQIMIIECSA-N 0 0 477.957 4.553 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC001463312082 1068352903 /nfs/dbraw/zinc/35/29/03/1068352903.db2.gz YJZMSNNXIORYIM-LJQANCHMSA-N 0 0 459.942 4.949 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463316465 1068353788 /nfs/dbraw/zinc/35/37/88/1068353788.db2.gz DXJKVGSKEZZEKE-LJQANCHMSA-N 0 0 451.773 4.707 20 0 JJADRN CCN([C@@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001463319762 1068354434 /nfs/dbraw/zinc/35/44/34/1068354434.db2.gz KOGRHGVKGPGCQN-SFHVURJKSA-N 0 0 453.608 4.746 20 0 JJADRN O=S(=O)(NC(CCc1ccccc1)CCc1ccccc1)c1cncc(Br)c1 ZINC001463319637 1068354482 /nfs/dbraw/zinc/35/44/82/1068354482.db2.gz HCGXGQMGELCLQF-UHFFFAOYSA-N 0 0 459.409 4.757 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c1)C(F)(F)F ZINC001463321135 1068355350 /nfs/dbraw/zinc/35/53/50/1068355350.db2.gz IVRUBKVHVBEZLD-JKIKYLSZSA-N 0 0 452.498 4.834 20 0 JJADRN O=S(=O)(NCc1ccccc1-c1ccc(Cl)cc1Cl)c1cnnn1-c1ccccc1 ZINC001463321011 1068355601 /nfs/dbraw/zinc/35/56/01/1068355601.db2.gz KBKOWPJHUDRDCZ-UHFFFAOYSA-N 0 0 459.358 4.720 20 0 JJADRN O=S(=O)(NCc1ccccc1-c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC001463322140 1068355920 /nfs/dbraw/zinc/35/59/20/1068355920.db2.gz LYCFBYHBQSJMMA-UHFFFAOYSA-N 0 0 450.343 4.910 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001463323245 1068356421 /nfs/dbraw/zinc/35/64/21/1068356421.db2.gz DRRZFHIHGGYNHZ-UONOGXRCSA-N 0 0 459.033 4.869 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21)c1ccccc1 ZINC001463323280 1068356665 /nfs/dbraw/zinc/35/66/65/1068356665.db2.gz MDZGYJLKBXLJQU-OAHLLOKOSA-N 0 0 459.917 4.857 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001463325538 1068356975 /nfs/dbraw/zinc/35/69/75/1068356975.db2.gz ODAOTJVGIXDHIA-WLRCJQIBSA-N 0 0 455.002 4.608 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC001463324704 1068356998 /nfs/dbraw/zinc/35/69/98/1068356998.db2.gz NQOQHCLQVIAOAS-AWEZNQCLSA-N 0 0 456.789 4.531 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001463325522 1068357012 /nfs/dbraw/zinc/35/70/12/1068357012.db2.gz ODAOTJVGIXDHIA-FJRXGCEOSA-N 0 0 455.002 4.608 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001463324651 1068357182 /nfs/dbraw/zinc/35/71/82/1068357182.db2.gz NLZANOZMHWUTMD-MRXNPFEDSA-N 0 0 451.411 4.872 20 0 JJADRN CC(C)(C)[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)c1ccc(F)cc1F ZINC001463331887 1068358827 /nfs/dbraw/zinc/35/88/27/1068358827.db2.gz MIMRJHSQDVUIPS-HXUWFJFHSA-N 0 0 456.942 4.959 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001463335668 1068360405 /nfs/dbraw/zinc/36/04/05/1068360405.db2.gz OAVKQKXRNOMMPJ-ZWKOTPCHSA-N 0 0 455.908 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@@H]([C@H]3CCOC3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463335622 1068360516 /nfs/dbraw/zinc/36/05/16/1068360516.db2.gz NVKRFEIOCJDHEN-SKWRMQMOSA-N 0 0 477.045 4.956 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OS(=O)(=O)CC[C@H]1CCCCO1 ZINC001463338306 1068361095 /nfs/dbraw/zinc/36/10/95/1068361095.db2.gz SIZYKQIQNORNHY-QGZVFWFLSA-N 0 0 457.470 4.626 20 0 JJADRN COc1ccc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1-c1ccccn1 ZINC001463340206 1068361765 /nfs/dbraw/zinc/36/17/65/1068361765.db2.gz UWXDYQPDRORWAB-UHFFFAOYSA-N 0 0 451.567 4.667 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001463340659 1068362307 /nfs/dbraw/zinc/36/23/07/1068362307.db2.gz YMRQKFDDMCBVNW-OAHLLOKOSA-N 0 0 456.505 4.769 20 0 JJADRN CCc1ccc2c(c1)CCN2C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001463341898 1068362986 /nfs/dbraw/zinc/36/29/86/1068362986.db2.gz YDIZOIBCBXUZEJ-UHFFFAOYSA-N 0 0 454.979 4.930 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCN(C)c4ccc(Br)cc43)o2)cc1 ZINC001463342592 1068363023 /nfs/dbraw/zinc/36/30/23/1068363023.db2.gz JGAUZBWESLLZKO-UHFFFAOYSA-N 0 0 456.340 4.528 20 0 JJADRN COc1ccc(Cl)c(S(=O)(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001463343827 1068363547 /nfs/dbraw/zinc/36/35/47/1068363547.db2.gz FMZCZXCGIRJRLY-UHFFFAOYSA-N 0 0 458.805 4.854 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463343661 1068363671 /nfs/dbraw/zinc/36/36/71/1068363671.db2.gz SFJONZMUVQTFMK-CQSZACIVSA-N 0 0 456.255 4.569 20 0 JJADRN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001463345784 1068364986 /nfs/dbraw/zinc/36/49/86/1068364986.db2.gz RYFJICRSJVGWEA-SLYNCCJLSA-N 0 0 459.505 4.658 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC001463346392 1068365831 /nfs/dbraw/zinc/36/58/31/1068365831.db2.gz JVJJEPYXODZIEB-AUUYWEPGSA-N 0 0 458.805 4.690 20 0 JJADRN COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463346135 1068365876 /nfs/dbraw/zinc/36/58/76/1068365876.db2.gz UZLODHAHCYZFMN-IWNSMCSQSA-N 0 0 453.482 4.506 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cnc1Cl ZINC001463350470 1068367494 /nfs/dbraw/zinc/36/74/94/1068367494.db2.gz KILWZNICYCARHQ-INIZCTEOSA-N 0 0 453.008 4.508 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001463360733 1068370803 /nfs/dbraw/zinc/37/08/03/1068370803.db2.gz MGUWRFONILLUIZ-VXKWHMMOSA-N 0 0 478.452 4.883 20 0 JJADRN CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 ZINC001463362199 1068371697 /nfs/dbraw/zinc/37/16/97/1068371697.db2.gz XIIXVDWIWPWEJP-DEOSSOPVSA-N 0 0 453.604 4.844 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC001463362896 1068372099 /nfs/dbraw/zinc/37/20/99/1068372099.db2.gz WOJKEQINIRRKQN-UHFFFAOYSA-N 0 0 457.976 4.520 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ncc(-c4cccc(F)c4)s3)cc2)c1C ZINC001463366267 1068373723 /nfs/dbraw/zinc/37/37/23/1068373723.db2.gz GZYWMPKLOQXABS-UHFFFAOYSA-N 0 0 450.495 4.872 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2cc(F)c(Br)cc2C(C)=O)c2ccccc12 ZINC001463371572 1068375099 /nfs/dbraw/zinc/37/50/99/1068375099.db2.gz FGKNIIHEXXPTQU-UHFFFAOYSA-N 0 0 453.285 4.720 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463374995 1068376257 /nfs/dbraw/zinc/37/62/57/1068376257.db2.gz OWPPOEIBQHGRID-IBGZPJMESA-N 0 0 458.342 4.602 20 0 JJADRN CCC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CCCC1 ZINC001546138512 1068377011 /nfs/dbraw/zinc/37/70/11/1068377011.db2.gz CNMPDQMQKKTLAW-UHFFFAOYSA-N 0 0 471.650 4.533 20 0 JJADRN CCOc1cc(Cl)ccc1CNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001463378606 1068377073 /nfs/dbraw/zinc/37/70/73/1068377073.db2.gz LXSNPTFRPMTZAK-UHFFFAOYSA-N 0 0 457.148 4.772 20 0 JJADRN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC001463377804 1068377211 /nfs/dbraw/zinc/37/72/11/1068377211.db2.gz SEENBOUMGNRGHY-UHFFFAOYSA-N 0 0 456.402 4.703 20 0 JJADRN CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1c(Cl)cc(C)cc1Br)C2 ZINC001463378921 1068377574 /nfs/dbraw/zinc/37/75/74/1068377574.db2.gz YBRSRSVCAYWETK-UHFFFAOYSA-N 0 0 458.805 4.947 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001463379626 1068377651 /nfs/dbraw/zinc/37/76/51/1068377651.db2.gz JAVJUJHHMKHXGS-KRWDZBQOSA-N 0 0 457.905 4.772 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001463379614 1068377791 /nfs/dbraw/zinc/37/77/91/1068377791.db2.gz ITFRWRYELALYFQ-KBPBESRZSA-N 0 0 458.889 4.537 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1nc(F)ccc1Br ZINC001463380890 1068378755 /nfs/dbraw/zinc/37/87/55/1068378755.db2.gz PJRKXJSJSZQYEH-UHFFFAOYSA-N 0 0 458.662 4.573 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2cc3cccnc3cc2Br)cc1C(F)(F)F ZINC001463382432 1068379321 /nfs/dbraw/zinc/37/93/21/1068379321.db2.gz KXWITPDPMNCQRW-UHFFFAOYSA-N 0 0 459.287 4.803 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1Br ZINC001463385616 1068379577 /nfs/dbraw/zinc/37/95/77/1068379577.db2.gz LREOXCSWILNVJW-HUBLWGQQSA-N 0 0 451.224 4.719 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@H]2CCSc2ccc(Cl)cc2)nnn1Cc1ccncc1 ZINC001463387164 1068380693 /nfs/dbraw/zinc/38/06/93/1068380693.db2.gz DCGTWMLBKVWHOU-FQEVSTJZSA-N 0 0 456.015 4.860 20 0 JJADRN Cc1cc(S(=O)(=O)N2CC[C@@H](COc3ccccc3)C2)cc(C)c1OCc1ccccc1 ZINC001463389092 1068381462 /nfs/dbraw/zinc/38/14/62/1068381462.db2.gz DWHYZERURYAQOZ-HSZRJFAPSA-N 0 0 451.588 4.972 20 0 JJADRN COCC1(CS(=O)(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CCC1 ZINC001463387840 1068381494 /nfs/dbraw/zinc/38/14/94/1068381494.db2.gz AZPUWEUHUADMQV-HXUWFJFHSA-N 0 0 457.514 4.540 20 0 JJADRN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC001463391564 1068381693 /nfs/dbraw/zinc/38/16/93/1068381693.db2.gz MYSJJJWOBPUUOU-SFHVURJKSA-N 0 0 457.857 4.705 20 0 JJADRN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC001463391529 1068382122 /nfs/dbraw/zinc/38/21/22/1068382122.db2.gz MYSJJJWOBPUUOU-GOSISDBHSA-N 0 0 457.857 4.705 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001463393141 1068382526 /nfs/dbraw/zinc/38/25/26/1068382526.db2.gz NUQJZFRDRUSULT-UHFFFAOYSA-N 0 0 454.523 4.858 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1cnc(F)c(F)c1 ZINC001463391740 1068382632 /nfs/dbraw/zinc/38/26/32/1068382632.db2.gz IKKNJCUVJUNTLQ-NSHDSACASA-N 0 0 458.515 4.998 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC001463393851 1068382901 /nfs/dbraw/zinc/38/29/01/1068382901.db2.gz CDUVNCHENHHSKV-NVXWUHKLSA-N 0 0 450.373 4.539 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001463396495 1068383355 /nfs/dbraw/zinc/38/33/55/1068383355.db2.gz UPPBOFRDNJXNIA-PXNSSMCTSA-N 0 0 454.571 4.765 20 0 JJADRN Cc1nc2c(s1)[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)CCC2 ZINC001463397746 1068383845 /nfs/dbraw/zinc/38/38/45/1068383845.db2.gz UHYBXAOHKPATIC-JTQLQIEISA-N 0 0 456.214 4.877 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC001463398454 1068383887 /nfs/dbraw/zinc/38/38/87/1068383887.db2.gz UVKUMWKFYRDUNL-UHFFFAOYSA-N 0 0 451.523 4.537 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396811 1068384030 /nfs/dbraw/zinc/38/40/30/1068384030.db2.gz QAYKNWLIZMTVDO-LJQANCHMSA-N 0 0 453.486 4.628 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001463399782 1068384513 /nfs/dbraw/zinc/38/45/13/1068384513.db2.gz WJMXTSPPOKHNEM-AWEZNQCLSA-N 0 0 453.402 4.815 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCCc3c(Br)cccc32)c1 ZINC001463398768 1068384555 /nfs/dbraw/zinc/38/45/55/1068384555.db2.gz XOIIJYGQXJMZAJ-UHFFFAOYSA-N 0 0 456.121 4.955 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)C(F)(F)F ZINC001463401254 1068385528 /nfs/dbraw/zinc/38/55/28/1068385528.db2.gz NNSVFVKLSPHVGP-SFHVURJKSA-N 0 0 455.436 4.671 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c(OC)c1 ZINC001463402526 1068386153 /nfs/dbraw/zinc/38/61/53/1068386153.db2.gz QCSRCUHORKUCPP-CQSZACIVSA-N 0 0 452.511 4.643 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C(F)(F)F ZINC001463405846 1068386411 /nfs/dbraw/zinc/38/64/11/1068386411.db2.gz XBQUOGJJJMXGTA-IPMKNSEASA-N 0 0 465.516 4.619 20 0 JJADRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC(F)F)C3)nc2c1 ZINC001463408361 1068387275 /nfs/dbraw/zinc/38/72/75/1068387275.db2.gz ZWSGFYQLYYJZMO-CYBMUJFWSA-N 0 0 455.914 4.694 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001463410134 1068387573 /nfs/dbraw/zinc/38/75/73/1068387573.db2.gz ISDVKQXEQXCMAB-JOCHJYFZSA-N 0 0 453.585 4.834 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001463409263 1068387773 /nfs/dbraw/zinc/38/77/73/1068387773.db2.gz IHIVVNRNMLEDBV-UHFFFAOYSA-N 0 0 453.850 4.961 20 0 JJADRN O=C(Nc1cc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)ccc1Cl)c1cccs1 ZINC001463410351 1068388000 /nfs/dbraw/zinc/38/80/00/1068388000.db2.gz HPTIKUCSLLATFD-UHFFFAOYSA-N 0 0 453.907 4.560 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@]34CCCN(C(=O)OC(C)(C)C)C4)ccn2)C1 ZINC001463410124 1068388127 /nfs/dbraw/zinc/38/81/27/1068388127.db2.gz FCYYSMUEHMYOPM-FQRUVTKNSA-N 0 0 456.631 4.714 20 0 JJADRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463411729 1068388594 /nfs/dbraw/zinc/38/85/94/1068388594.db2.gz YQAJSFYRLWAXSB-DEOSSOPVSA-N 0 0 457.567 4.882 20 0 JJADRN Cc1c(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001463411703 1068389084 /nfs/dbraw/zinc/38/90/84/1068389084.db2.gz MMWUTRDTZLTFIK-LJQANCHMSA-N 0 0 457.905 4.676 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC ZINC001463414907 1068390312 /nfs/dbraw/zinc/39/03/12/1068390312.db2.gz WVZKIOXNZXONDG-APWZRJJASA-N 0 0 451.560 4.621 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 ZINC001463414943 1068390838 /nfs/dbraw/zinc/39/08/38/1068390838.db2.gz WZEIYCGARMJWDI-AUSJPIAWSA-N 0 0 456.402 4.681 20 0 JJADRN CO[C@H](CS(=O)(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001463417101 1068391285 /nfs/dbraw/zinc/39/12/85/1068391285.db2.gz CSIDRVDOERTQDO-GOSISDBHSA-N 0 0 452.400 4.673 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)CC3 ZINC001463419256 1068391620 /nfs/dbraw/zinc/39/16/20/1068391620.db2.gz RRDCFIPXDDCOAB-CYBMUJFWSA-N 0 0 453.789 4.728 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(F)c2Br)n1C ZINC001463419486 1068391801 /nfs/dbraw/zinc/39/18/01/1068391801.db2.gz BWWLYQYIGJPVAN-OAHLLOKOSA-N 0 0 457.727 4.734 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)CC3 ZINC001463419263 1068391876 /nfs/dbraw/zinc/39/18/76/1068391876.db2.gz RRDCFIPXDDCOAB-ZDUSSCGKSA-N 0 0 453.789 4.728 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001463424085 1068392558 /nfs/dbraw/zinc/39/25/58/1068392558.db2.gz LCYWSUMKCVWJAM-MRXNPFEDSA-N 0 0 457.427 4.869 20 0 JJADRN CCC1(Cn2c(-c3cnccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC001546138958 1068393826 /nfs/dbraw/zinc/39/38/26/1068393826.db2.gz STRXBEPEKBRBHC-UHFFFAOYSA-N 0 0 469.634 4.541 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)NCCOCc2ccc(Cl)cc2Cl)cc1Cl ZINC001463434097 1068396117 /nfs/dbraw/zinc/39/61/17/1068396117.db2.gz KKCLFIWUFRYWIM-UHFFFAOYSA-N 0 0 459.178 4.804 20 0 JJADRN CN1CC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434884 1068396149 /nfs/dbraw/zinc/39/61/49/1068396149.db2.gz QOTRURXYNZDZEG-KPZWWZAWSA-N 0 0 451.778 4.757 20 0 JJADRN CN([C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001463435954 1068396766 /nfs/dbraw/zinc/39/67/66/1068396766.db2.gz MPTSDKHGEKPVNV-UYAOXDASSA-N 0 0 450.482 4.504 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2c(Cl)cccc2Br)CC[C@@H](C)c2ccccc21 ZINC001463435979 1068396809 /nfs/dbraw/zinc/39/68/09/1068396809.db2.gz DRVYBTVBDHBCML-ASSNKEHSSA-N 0 0 450.760 4.727 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)cc12 ZINC001463436106 1068396871 /nfs/dbraw/zinc/39/68/71/1068396871.db2.gz NNQCKNAKNHWRCX-APWZRJJASA-N 0 0 453.486 4.761 20 0 JJADRN COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001463436295 1068397358 /nfs/dbraw/zinc/39/73/58/1068397358.db2.gz XVWBLEHHMYFIQT-QFBILLFUSA-N 0 0 455.498 4.887 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)c2=O)n1 ZINC001463437442 1068397397 /nfs/dbraw/zinc/39/73/97/1068397397.db2.gz TUAWXLBRLGFRJV-UHFFFAOYSA-N 0 0 453.542 4.884 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001463440497 1068398118 /nfs/dbraw/zinc/39/81/18/1068398118.db2.gz DPOYPSGGJXERFB-SFHVURJKSA-N 0 0 456.608 4.900 20 0 JJADRN O=C1CCCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463442559 1068398678 /nfs/dbraw/zinc/39/86/78/1068398678.db2.gz YCRSONZQPHSSRA-JKSUJKDBSA-N 0 0 458.527 4.741 20 0 JJADRN O=C(c1ccn(-c2ccccc2F)n1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463444303 1068399123 /nfs/dbraw/zinc/39/91/23/1068399123.db2.gz KBCMVTPHRADACG-UHFFFAOYSA-N 0 0 458.331 4.595 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC001463445125 1068399219 /nfs/dbraw/zinc/39/92/19/1068399219.db2.gz BKVMJAFRDMBHDD-HZPDHXFCSA-N 0 0 456.605 4.511 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001463445115 1068399321 /nfs/dbraw/zinc/39/93/21/1068399321.db2.gz BKVMJAFRDMBHDD-CVEARBPZSA-N 0 0 456.605 4.511 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)ccc1F ZINC001463446286 1068399658 /nfs/dbraw/zinc/39/96/58/1068399658.db2.gz OOYCAMDFIMGNDB-DEOSSOPVSA-N 0 0 453.535 4.533 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC[C@@H](C)c2ccccc21 ZINC001463446510 1068399672 /nfs/dbraw/zinc/39/96/72/1068399672.db2.gz MLNGRMBUJUXPHJ-CMJOXMDJSA-N 0 0 457.452 4.587 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)ccc1F ZINC001463446291 1068399880 /nfs/dbraw/zinc/39/98/80/1068399880.db2.gz OOYCAMDFIMGNDB-XMMPIXPASA-N 0 0 453.535 4.533 20 0 JJADRN Cc1ccc(C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1C(F)(F)F ZINC001463450494 1068401047 /nfs/dbraw/zinc/40/10/47/1068401047.db2.gz BEYAWQYXCKPSNN-HNNXBMFYSA-N 0 0 450.461 4.781 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC001463450694 1068401687 /nfs/dbraw/zinc/40/16/87/1068401687.db2.gz NKAMBJIWGBRTJR-HXUWFJFHSA-N 0 0 450.608 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3cc(Cl)c(F)cc3Cl)n2)C1 ZINC001463451819 1068401731 /nfs/dbraw/zinc/40/17/31/1068401731.db2.gz FYJAYSFKEXNTHO-NSHDSACASA-N 0 0 455.317 4.899 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC001463453229 1068401747 /nfs/dbraw/zinc/40/17/47/1068401747.db2.gz NMGVWVDBKCMLNP-LBPRGKRZSA-N 0 0 453.402 4.710 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1cccc(F)c1Br)CCOC2 ZINC001463450549 1068401767 /nfs/dbraw/zinc/40/17/67/1068401767.db2.gz BRMCRIRWSXBYLH-UHFFFAOYSA-N 0 0 456.333 4.930 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC001463452842 1068402910 /nfs/dbraw/zinc/40/29/10/1068402910.db2.gz JXEQGJABEXDJMJ-UHFFFAOYSA-N 0 0 453.505 4.891 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1ccc(F)c(Br)c1)CCOC2 ZINC001463452797 1068402928 /nfs/dbraw/zinc/40/29/28/1068402928.db2.gz QNCZTAHLHODWRC-UHFFFAOYSA-N 0 0 456.333 4.930 20 0 JJADRN CC(C)(C)[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CCO1 ZINC001463454116 1068403532 /nfs/dbraw/zinc/40/35/32/1068403532.db2.gz MVVWWTNGPUTNDA-MRXNPFEDSA-N 0 0 457.411 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC001463454809 1068404280 /nfs/dbraw/zinc/40/42/80/1068404280.db2.gz WQIHCEMGCITGQE-UHFFFAOYSA-N 0 0 455.399 4.504 20 0 JJADRN CN(C)c1ccc(C2(C(=O)N3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001463454621 1068404367 /nfs/dbraw/zinc/40/43/67/1068404367.db2.gz ZQIBVIRGKOBPCG-OAQYLSRUSA-N 0 0 455.643 4.718 20 0 JJADRN CN(C)c1ccc(C2(C(=O)N3CCC4(CCC[C@H]4CNC(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001463454620 1068404376 /nfs/dbraw/zinc/40/43/76/1068404376.db2.gz ZQIBVIRGKOBPCG-NRFANRHFSA-N 0 0 455.643 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)Cc3coc4cc(Cl)ccc34)n2)C1 ZINC001463455932 1068404894 /nfs/dbraw/zinc/40/48/94/1068404894.db2.gz XDQABQWIEQFYNF-CQSZACIVSA-N 0 0 456.930 4.782 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC[C@@H](C)c2ccccc21 ZINC001463457467 1068404903 /nfs/dbraw/zinc/40/49/03/1068404903.db2.gz XOAFYAWVNQVONW-OYLFLEFRSA-N 0 0 454.523 4.557 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NC[C@]2(C)CCCc3ccccc32)cc1Cl ZINC001463456858 1068405888 /nfs/dbraw/zinc/40/58/88/1068405888.db2.gz ORZPKEJCDVFQSW-NRFANRHFSA-N 0 0 458.407 4.591 20 0 JJADRN COc1cc(CCNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)cc(OC)c1 ZINC001463457762 1068406032 /nfs/dbraw/zinc/40/60/32/1068406032.db2.gz RSXMHPGWUAPSOX-UHFFFAOYSA-N 0 0 457.324 4.626 20 0 JJADRN O=S(=O)(NC1(c2ccc(F)cc2F)CCC1)c1c(Cl)cc(F)cc1Br ZINC001463458536 1068406759 /nfs/dbraw/zinc/40/67/59/1068406759.db2.gz HJFZOHSQMQPAAZ-UHFFFAOYSA-N 0 0 454.695 4.878 20 0 JJADRN Cc1cccc([C@@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)c2ccccn2)c1 ZINC001463458797 1068406965 /nfs/dbraw/zinc/40/69/65/1068406965.db2.gz LFGYRUUEDGRSKJ-HXUWFJFHSA-N 0 0 456.365 4.702 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC001463462994 1068407755 /nfs/dbraw/zinc/40/77/55/1068407755.db2.gz VJKIITVLVXSNRC-HXUWFJFHSA-N 0 0 455.601 4.681 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC001463463236 1068407770 /nfs/dbraw/zinc/40/77/70/1068407770.db2.gz XVBPPFGMVUMNRG-UHFFFAOYSA-N 0 0 456.391 4.879 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)c1 ZINC001463464110 1068408404 /nfs/dbraw/zinc/40/84/04/1068408404.db2.gz WAHAGFWHQZYJPO-INIZCTEOSA-N 0 0 457.979 4.955 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)c1 ZINC001463464111 1068409042 /nfs/dbraw/zinc/40/90/42/1068409042.db2.gz WAHAGFWHQZYJPO-MRXNPFEDSA-N 0 0 457.979 4.955 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N3CCC(O)(c4ccccc4)CC3)cc2)cc1 ZINC001463464648 1068409059 /nfs/dbraw/zinc/40/90/59/1068409059.db2.gz DLUBPUAUOKBKMN-UHFFFAOYSA-N 0 0 455.601 4.873 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC001463464233 1068409184 /nfs/dbraw/zinc/40/91/84/1068409184.db2.gz YJJFMYGLLSWCOE-INIZCTEOSA-N 0 0 453.004 4.531 20 0 JJADRN O=S(=O)(NCc1cc2cc(Br)ccc2[nH]1)c1ccc(C(F)(F)F)cc1F ZINC001463465502 1068410047 /nfs/dbraw/zinc/41/00/47/1068410047.db2.gz JDMHKDPDVMZXBA-UHFFFAOYSA-N 0 0 451.239 4.567 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1C(C)C ZINC001463466552 1068410990 /nfs/dbraw/zinc/41/09/90/1068410990.db2.gz NEVKMEJTLZFOPC-FQEVSTJZSA-N 0 0 451.551 4.703 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001463469532 1068411595 /nfs/dbraw/zinc/41/15/95/1068411595.db2.gz OJABXZIRXUQKSG-IBGZPJMESA-N 0 0 452.436 4.907 20 0 JJADRN O=C(C[C@H]1CCCCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001463474388 1068413749 /nfs/dbraw/zinc/41/37/49/1068413749.db2.gz RAYAAUWPFPHYTH-MRXNPFEDSA-N 0 0 459.461 4.931 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC001463472500 1068413764 /nfs/dbraw/zinc/41/37/64/1068413764.db2.gz RLMSPJZEEQKDPZ-UHFFFAOYSA-N 0 0 458.805 4.520 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2cccs2)cc1OCC ZINC001463477922 1068414895 /nfs/dbraw/zinc/41/48/95/1068414895.db2.gz ZLESVMJVJNIJLA-QGZVFWFLSA-N 0 0 451.610 4.752 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC001463477638 1068415075 /nfs/dbraw/zinc/41/50/75/1068415075.db2.gz RNXZTMZCQPGVCE-SCLBCKFNSA-N 0 0 463.390 4.595 20 0 JJADRN COC(=O)[C@@]1(CNC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCOC1 ZINC001463478760 1068415095 /nfs/dbraw/zinc/41/50/95/1068415095.db2.gz GVIKGJWJPBMBPF-OAQYLSRUSA-N 0 0 454.375 4.595 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N1CCc2cc(F)cc(F)c2C1 ZINC001463479737 1068415734 /nfs/dbraw/zinc/41/57/34/1068415734.db2.gz DXNJFZBIQLALMT-UHFFFAOYSA-N 0 0 455.286 4.867 20 0 JJADRN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCc2c(Br)ccc(F)c2C1 ZINC001463482913 1068415778 /nfs/dbraw/zinc/41/57/78/1068415778.db2.gz FEAMFUYJORIFQW-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN COC(=O)[C@]1(CNC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCOC1 ZINC001463485033 1068416295 /nfs/dbraw/zinc/41/62/95/1068416295.db2.gz ZJWPLVSNSDOOMH-NRFANRHFSA-N 0 0 454.375 4.595 20 0 JJADRN O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001463489340 1068417217 /nfs/dbraw/zinc/41/72/17/1068417217.db2.gz ITUPMYHRJLWHKI-RAXLEYEMSA-N 0 0 456.789 4.946 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)[C@H](C(F)(F)F)C1 ZINC001463492300 1068417676 /nfs/dbraw/zinc/41/76/76/1068417676.db2.gz NZASGKKXJRJIOL-KUHUBIRLSA-N 0 0 474.932 4.968 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)N3CCc4c3cccc4C(F)(F)F)ccc2s1 ZINC001463490696 1068417786 /nfs/dbraw/zinc/41/77/86/1068417786.db2.gz MWANULCLZLTLPY-UHFFFAOYSA-N 0 0 455.479 4.848 20 0 JJADRN Cc1cccc(NC(=O)c2cc(F)c(Br)cc2F)c1I ZINC001463495907 1068419197 /nfs/dbraw/zinc/41/91/97/1068419197.db2.gz WAHNDKKZOOINSB-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC001463495311 1068419248 /nfs/dbraw/zinc/41/92/48/1068419248.db2.gz CEADVXKEBUJQAI-FQEVSTJZSA-N 0 0 451.466 4.907 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)CC1=O ZINC001463495694 1068419292 /nfs/dbraw/zinc/41/92/92/1068419292.db2.gz VQMDNIOJPZKMIQ-ROUUACIJSA-N 0 0 452.551 4.766 20 0 JJADRN COc1cc(CNC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc(Cl)c1OC ZINC001463497009 1068419835 /nfs/dbraw/zinc/41/98/35/1068419835.db2.gz UHKWIJZLKTVQKG-UHFFFAOYSA-N 0 0 455.986 4.776 20 0 JJADRN Cn1c2ccccc2c2cc(S(=O)(=O)NCCCCC(=O)OCc3ccccc3)ccc21 ZINC001463500811 1068420493 /nfs/dbraw/zinc/42/04/93/1068420493.db2.gz SRLLIPFFSSIMKL-UHFFFAOYSA-N 0 0 450.560 4.524 20 0 JJADRN C/C(=C\C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001463500708 1068420569 /nfs/dbraw/zinc/42/05/69/1068420569.db2.gz JGBBTJBSYGZJKV-XYOKQWHBSA-N 0 0 451.388 4.719 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)no1 ZINC001463501594 1068420582 /nfs/dbraw/zinc/42/05/82/1068420582.db2.gz QLSQSCKCVMBEDK-UHFFFAOYSA-N 0 0 455.580 4.611 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001463505913 1068422677 /nfs/dbraw/zinc/42/26/77/1068422677.db2.gz NIOQDROIVYJNOC-ZDUSSCGKSA-N 0 0 452.320 4.979 20 0 JJADRN Cc1cc(OS(=O)(=O)c2c(F)cc(Br)cc2F)cc(C)c1Br ZINC001463509219 1068424002 /nfs/dbraw/zinc/42/40/02/1068424002.db2.gz FCVHKJQIGWGJFK-UHFFFAOYSA-N 0 0 456.102 4.874 20 0 JJADRN O=S(=O)(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCO[C@H](COc2ccccc2)C1 ZINC001463511521 1068424466 /nfs/dbraw/zinc/42/44/66/1068424466.db2.gz KVWSQSDOPFNXMT-QFIPXVFZSA-N 0 0 459.951 4.601 20 0 JJADRN C[C@@H](CN(C)S(=O)(=O)C1(COCc2ccccc2)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC001463516358 1068425960 /nfs/dbraw/zinc/42/59/60/1068425960.db2.gz UVUFORGFVKWTFU-INIZCTEOSA-N 0 0 458.407 4.772 20 0 JJADRN CCN(C(=O)COc1ccc2oc3c(c2c1)CCCC3)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463515711 1068425974 /nfs/dbraw/zinc/42/59/74/1068425974.db2.gz XQHVFBUBOTXEPQ-GOSISDBHSA-N 0 0 456.583 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCc3ccc(Br)cc3F)CCC[C@@H]12 ZINC001463515665 1068426013 /nfs/dbraw/zinc/42/60/13/1068426013.db2.gz VZAVUBLXWBAGJA-UTKZUKDTSA-N 0 0 455.368 4.569 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1C ZINC001463524189 1068428062 /nfs/dbraw/zinc/42/80/62/1068428062.db2.gz SFGYHBVQGLRBIH-UHFFFAOYSA-N 0 0 458.580 4.647 20 0 JJADRN Cc1cnn(-c2ccc(OS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1 ZINC001463528303 1068428732 /nfs/dbraw/zinc/42/87/32/1068428732.db2.gz OEFCPTCWDDWHOQ-UHFFFAOYSA-N 0 0 450.360 4.986 20 0 JJADRN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCN(c2cncc3ccccc32)CC1 ZINC001463528792 1068428773 /nfs/dbraw/zinc/42/87/73/1068428773.db2.gz SPGJJLGUBNWEIA-UHFFFAOYSA-N 0 0 456.782 4.706 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001463529740 1068429354 /nfs/dbraw/zinc/42/93/54/1068429354.db2.gz UUPJDVSGLVPIAS-MFKMUULPSA-N 0 0 455.285 4.558 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)c1ccc(Cl)cc1F ZINC001463532411 1068430149 /nfs/dbraw/zinc/43/01/49/1068430149.db2.gz DFZUGZZYFVLANX-SZNDQCEHSA-N 0 0 459.942 4.709 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)ccc2nc1Cl ZINC001463535035 1068431586 /nfs/dbraw/zinc/43/15/86/1068431586.db2.gz DFLXFCDZHSXCOO-LJQANCHMSA-N 0 0 455.338 4.751 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)c1cc(F)cc(Br)c1 ZINC001463535977 1068432141 /nfs/dbraw/zinc/43/21/41/1068432141.db2.gz JFOZZHUSXLWJIZ-AWEZNQCLSA-N 0 0 458.740 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCCc2occc21)Cc1cc(F)c(F)cc1F ZINC001463538773 1068433829 /nfs/dbraw/zinc/43/38/29/1068433829.db2.gz UICNQWYDDJLIAX-KUHUBIRLSA-N 0 0 452.473 4.717 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C2CC2)cc1 ZINC001463539045 1068433858 /nfs/dbraw/zinc/43/38/58/1068433858.db2.gz VSNUNWOMNCPAFM-TZIWHRDSSA-N 0 0 450.482 4.712 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC001463541005 1068434524 /nfs/dbraw/zinc/43/45/24/1068434524.db2.gz FQHPVQCQMPMAJZ-FSSWDIPSSA-N 0 0 450.645 4.702 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1 ZINC001463547370 1068437421 /nfs/dbraw/zinc/43/74/21/1068437421.db2.gz UWLMXIJPBKRTJH-QGZVFWFLSA-N 0 0 452.429 4.878 20 0 JJADRN COc1cc(C)c(S(=O)(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)cc1C ZINC001463555203 1068440057 /nfs/dbraw/zinc/44/00/57/1068440057.db2.gz QWIHXBWEYOCUAL-UHFFFAOYSA-N 0 0 455.248 4.741 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)s1 ZINC001463555845 1068440137 /nfs/dbraw/zinc/44/01/37/1068440137.db2.gz COUFIRIQVWPFSR-SFHVURJKSA-N 0 0 451.411 4.785 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001463557837 1068440951 /nfs/dbraw/zinc/44/09/51/1068440951.db2.gz CJMMTCQBGXPIHW-PKOBYXMFSA-N 0 0 452.414 4.928 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001463559399 1068442654 /nfs/dbraw/zinc/44/26/54/1068442654.db2.gz RSJVMAZXALDIME-UHFFFAOYSA-N 0 0 450.366 4.822 20 0 JJADRN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)OC(C)C ZINC001463560785 1068443271 /nfs/dbraw/zinc/44/32/71/1068443271.db2.gz HYFZRKBJFQWRRI-QGZVFWFLSA-N 0 0 451.894 4.812 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463564649 1068445559 /nfs/dbraw/zinc/44/55/59/1068445559.db2.gz NXJYBPIMVUVXNJ-UHFFFAOYSA-N 0 0 458.971 4.917 20 0 JJADRN Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1C ZINC001463564848 1068446735 /nfs/dbraw/zinc/44/67/35/1068446735.db2.gz OUJQKICASFBLHN-UHFFFAOYSA-N 0 0 457.621 4.891 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566162 1068447416 /nfs/dbraw/zinc/44/74/16/1068447416.db2.gz XNGWNXBUEFBGDJ-FOIQADDNSA-N 0 0 450.988 4.983 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)Cc2cccc(F)c2Br)cc1Br ZINC001463567044 1068448132 /nfs/dbraw/zinc/44/81/32/1068448132.db2.gz IXWAENBGVXNQNE-UHFFFAOYSA-N 0 0 451.155 4.625 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001463568970 1068448899 /nfs/dbraw/zinc/44/88/99/1068448899.db2.gz GBHIKWRFUQBLFN-INIZCTEOSA-N 0 0 454.436 4.614 20 0 JJADRN CCc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)c1 ZINC001463567840 1068448969 /nfs/dbraw/zinc/44/89/69/1068448969.db2.gz DFKVXDLRZIJJLF-UHFFFAOYSA-N 0 0 458.967 4.642 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1C1CC1 ZINC001463570880 1068451125 /nfs/dbraw/zinc/45/11/25/1068451125.db2.gz RWVAYAVDAFUCFX-AWEZNQCLSA-N 0 0 451.434 4.514 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001463571420 1068451145 /nfs/dbraw/zinc/45/11/45/1068451145.db2.gz VMVRYRFQNQWELN-SFHVURJKSA-N 0 0 451.976 4.579 20 0 JJADRN CC(C)(F)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463573401 1068451841 /nfs/dbraw/zinc/45/18/41/1068451841.db2.gz CDSNTYHXCRCFFE-UHFFFAOYSA-N 0 0 453.967 4.818 20 0 JJADRN Cc1cc(S(=O)(=O)NCC(C)(C)c2cccc(Cl)c2F)c(F)cc1Br ZINC001463576065 1068452461 /nfs/dbraw/zinc/45/24/61/1068452461.db2.gz DKGRQZKSFJUFNW-UHFFFAOYSA-N 0 0 452.748 4.945 20 0 JJADRN O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573977 1068452544 /nfs/dbraw/zinc/45/25/44/1068452544.db2.gz NTBNODIDPNSOAK-OAQYLSRUSA-N 0 0 451.920 4.672 20 0 JJADRN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001463576956 1068453147 /nfs/dbraw/zinc/45/31/47/1068453147.db2.gz WRFUMLODOJENMN-UHFFFAOYSA-N 0 0 452.576 4.724 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001463579389 1068453772 /nfs/dbraw/zinc/45/37/72/1068453772.db2.gz ARADDUBOEVPGDP-ACHSLPGTSA-N 0 0 454.375 4.879 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)cc2)co1 ZINC001463579271 1068453779 /nfs/dbraw/zinc/45/37/79/1068453779.db2.gz MECDSGNPMSAWLO-HXUWFJFHSA-N 0 0 454.445 4.928 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC001463580109 1068454468 /nfs/dbraw/zinc/45/44/68/1068454468.db2.gz UTJWUUWMZSOOLY-UHFFFAOYSA-N 0 0 452.748 4.945 20 0 JJADRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc2nc(Cl)ccc2s1 ZINC001463580099 1068454521 /nfs/dbraw/zinc/45/45/21/1068454521.db2.gz UQCMDNRZVAFEDP-CQSZACIVSA-N 0 0 452.001 4.768 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)/C=C(\C)c3ccco3)c2)cc1 ZINC001463581636 1068454534 /nfs/dbraw/zinc/45/45/34/1068454534.db2.gz JNZCYUZYEZTNAM-JQIJEIRASA-N 0 0 456.520 4.530 20 0 JJADRN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001463581946 1068455267 /nfs/dbraw/zinc/45/52/67/1068455267.db2.gz ULMFICKILXCGSJ-GOSISDBHSA-N 0 0 453.404 4.609 20 0 JJADRN O=C(CCC1CCCCCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001463584361 1068456962 /nfs/dbraw/zinc/45/69/62/1068456962.db2.gz OSEDLKOTANFRAI-UHFFFAOYSA-N 0 0 458.580 4.948 20 0 JJADRN CC(C)(COCc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463588379 1068458251 /nfs/dbraw/zinc/45/82/51/1068458251.db2.gz HCJRQUCQNHEDLJ-UHFFFAOYSA-N 0 0 455.420 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)OCc3ccc(Br)cc3)C2)C1 ZINC001463588659 1068458321 /nfs/dbraw/zinc/45/83/21/1068458321.db2.gz JYCGBZUPFWABTE-OAQYLSRUSA-N 0 0 453.377 4.809 20 0 JJADRN O=S(=O)(c1ccccc1Br)N1CCC(c2ccc(Br)cc2)CC1 ZINC001463589678 1068458935 /nfs/dbraw/zinc/45/89/35/1068458935.db2.gz WVTDYVZASZVOEC-UHFFFAOYSA-N 0 0 459.203 4.780 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc3ccccc32)c(C)c1C ZINC001463595634 1068460102 /nfs/dbraw/zinc/46/01/02/1068460102.db2.gz MXYCSHRXJKPVGA-OAQYLSRUSA-N 0 0 452.620 4.928 20 0 JJADRN CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)cc1 ZINC001463597523 1068460146 /nfs/dbraw/zinc/46/01/46/1068460146.db2.gz RIJKFKCOOMPEKL-VWLOTQADSA-N 0 0 458.558 4.799 20 0 JJADRN C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c2cc(Br)ccc2O1 ZINC001463603447 1068461780 /nfs/dbraw/zinc/46/17/80/1068461780.db2.gz BHXSVKOYDSFAAF-JTQLQIEISA-N 0 0 451.169 4.873 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463604678 1068462492 /nfs/dbraw/zinc/46/24/92/1068462492.db2.gz DHZMPROYFZPMJC-UHFFFAOYSA-N 0 0 451.792 4.502 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1C(C)(C)C ZINC001463607470 1068464080 /nfs/dbraw/zinc/46/40/80/1068464080.db2.gz LJIGXFSIFFFJRL-UHFFFAOYSA-N 0 0 459.656 4.874 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001463606644 1068464135 /nfs/dbraw/zinc/46/41/35/1068464135.db2.gz PVDKXZMAMPWLME-NSHDSACASA-N 0 0 450.732 4.906 20 0 JJADRN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463606538 1068464154 /nfs/dbraw/zinc/46/41/54/1068464154.db2.gz XZKAAAKMVRGPMD-UHFFFAOYSA-N 0 0 451.876 4.677 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1c(F)cccc1Br ZINC001463607549 1068464718 /nfs/dbraw/zinc/46/47/18/1068464718.db2.gz HRRMAQWECRXRDS-AULYBMBSSA-N 0 0 452.267 4.832 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)c2cc(Br)ccc2O1 ZINC001463610620 1068465436 /nfs/dbraw/zinc/46/54/36/1068465436.db2.gz XQUSSMUPFNCWRL-SNVBAGLBSA-N 0 0 451.169 4.873 20 0 JJADRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1Br ZINC001463611238 1068466041 /nfs/dbraw/zinc/46/60/41/1068466041.db2.gz RBBWNJAQMXYBPU-LJQANCHMSA-N 0 0 450.398 4.997 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C)Oc2ccc(Br)cc21 ZINC001463611093 1068466129 /nfs/dbraw/zinc/46/61/29/1068466129.db2.gz ZHFGDIRXSPFZSI-NSHDSACASA-N 0 0 450.276 4.753 20 0 JJADRN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC001463613731 1068466994 /nfs/dbraw/zinc/46/69/94/1068466994.db2.gz VLPMSHZMQZKRKA-UHFFFAOYSA-N 0 0 450.966 4.756 20 0 JJADRN CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccnc1 ZINC001463617249 1068467727 /nfs/dbraw/zinc/46/77/27/1068467727.db2.gz RZLNSLOYGOEJAJ-XMMPIXPASA-N 0 0 459.546 4.743 20 0 JJADRN CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)Nc3ccc(-c4ccccc4)cc3)cnn2c1 ZINC001463615614 1068467747 /nfs/dbraw/zinc/46/77/47/1068467747.db2.gz CMINHAXAEYCQJR-UHFFFAOYSA-N 0 0 457.534 4.716 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2)cc1Br ZINC001463614774 1068467762 /nfs/dbraw/zinc/46/77/62/1068467762.db2.gz WQVSGKOLBWHVGY-UHFFFAOYSA-N 0 0 452.248 4.502 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)ccc1C ZINC001463616318 1068467855 /nfs/dbraw/zinc/46/78/55/1068467855.db2.gz FVXGLCHWJQJXHB-UHFFFAOYSA-N 0 0 456.391 4.879 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1 ZINC001463615494 1068467917 /nfs/dbraw/zinc/46/79/17/1068467917.db2.gz VNYAYGXUJLOCMN-LBPRGKRZSA-N 0 0 454.777 4.636 20 0 JJADRN O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001463617563 1068468424 /nfs/dbraw/zinc/46/84/24/1068468424.db2.gz KGYLTGIKHOMUGD-LBPRGKRZSA-N 0 0 452.267 4.785 20 0 JJADRN CN(Cc1ccc(Br)cc1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001463619578 1068468468 /nfs/dbraw/zinc/46/84/68/1068468468.db2.gz CJBOBCOOIXSSNZ-HXUWFJFHSA-N 0 0 459.384 4.770 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1Cl ZINC001463617668 1068468712 /nfs/dbraw/zinc/46/87/12/1068468712.db2.gz LDMXYPYXWRTWOK-OAHLLOKOSA-N 0 0 451.416 4.664 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)[C@@H]1C[C@H]1c1ccncc1 ZINC001463621470 1068469358 /nfs/dbraw/zinc/46/93/58/1068469358.db2.gz WEONIOOUKSSCFX-VQTJNVASSA-N 0 0 461.465 4.643 20 0 JJADRN COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001463624250 1068471351 /nfs/dbraw/zinc/47/13/51/1068471351.db2.gz NTUOPLXPZJFSJK-IBGZPJMESA-N 0 0 457.379 4.727 20 0 JJADRN COc1cc(CN(C)C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F ZINC001463624961 1068471405 /nfs/dbraw/zinc/47/14/05/1068471405.db2.gz GRRROGUNUHRUKR-UHFFFAOYSA-N 0 0 456.530 4.682 20 0 JJADRN CCCC[C@@H](O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463624385 1068471473 /nfs/dbraw/zinc/47/14/73/1068471473.db2.gz IHUQZFXJHCEEER-GOSISDBHSA-N 0 0 458.502 4.776 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463625238 1068472001 /nfs/dbraw/zinc/47/20/01/1068472001.db2.gz QXJMCTADKKSANV-BXUZGUMPSA-N 0 0 456.230 4.581 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Br)c(Cl)cc1Cl ZINC001463625925 1068472082 /nfs/dbraw/zinc/47/20/82/1068472082.db2.gz WHLOXJJOPDGORA-FUXBKTLASA-N 0 0 457.123 4.869 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC001463626646 1068472898 /nfs/dbraw/zinc/47/28/98/1068472898.db2.gz NABBYPKSVLBBNQ-QHCPKHFHSA-N 0 0 450.000 4.998 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC001463626643 1068472975 /nfs/dbraw/zinc/47/29/75/1068472975.db2.gz NABBYPKSVLBBNQ-HSZRJFAPSA-N 0 0 450.000 4.998 20 0 JJADRN COC(=O)c1ccc(OC)cc1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001463626833 1068472990 /nfs/dbraw/zinc/47/29/90/1068472990.db2.gz ZKKBBZZWZGCYIE-OAQYLSRUSA-N 0 0 451.972 4.687 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001463630330 1068475087 /nfs/dbraw/zinc/47/50/87/1068475087.db2.gz DEAXZGHGWNMFEG-UHFFFAOYSA-N 0 0 457.752 4.709 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2S(=O)(=O)c2c(C)sc3c2cccc3C)sc1C ZINC001463628982 1068475116 /nfs/dbraw/zinc/47/51/16/1068475116.db2.gz DSOJJTVVVBRBEJ-OAHLLOKOSA-N 0 0 450.607 4.595 20 0 JJADRN COc1ccccc1C[C@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463631254 1068475519 /nfs/dbraw/zinc/47/55/19/1068475519.db2.gz GDTNMTMRLWIXSY-JTQLQIEISA-N 0 0 453.185 4.674 20 0 JJADRN COCCN([C@H]1CC[C@H](C)C1)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463631058 1068475525 /nfs/dbraw/zinc/47/55/25/1068475525.db2.gz PSOUPIOOJLBYQM-JXFKEZNVSA-N 0 0 452.414 4.942 20 0 JJADRN CCc1ccc(S(=O)(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1CC ZINC001463631140 1068475599 /nfs/dbraw/zinc/47/55/99/1068475599.db2.gz IKFUWYAPCBHTDP-FQEVSTJZSA-N 0 0 451.430 4.839 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)cc2)cc1 ZINC001463636561 1068476996 /nfs/dbraw/zinc/47/69/96/1068476996.db2.gz VRGMUJDVSPIZPV-QGZVFWFLSA-N 0 0 454.523 4.783 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC001463636423 1068477040 /nfs/dbraw/zinc/47/70/40/1068477040.db2.gz WVLLJNNOYOECPT-UHFFFAOYSA-N 0 0 454.539 4.730 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001463642844 1068478846 /nfs/dbraw/zinc/47/88/46/1068478846.db2.gz ODIYFFVIAZWIGX-UHFFFAOYSA-N 0 0 451.264 4.673 20 0 JJADRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nc(Br)ccc1Br ZINC001463649196 1068480176 /nfs/dbraw/zinc/48/01/76/1068480176.db2.gz LQDJDPUGNKQEHK-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001463657028 1068485046 /nfs/dbraw/zinc/48/50/46/1068485046.db2.gz IAURFIIHLVJBBF-UHFFFAOYSA-N 0 0 454.297 4.685 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463657129 1068485090 /nfs/dbraw/zinc/48/50/90/1068485090.db2.gz RGAFJJQBMANTKG-UHFFFAOYSA-N 0 0 450.380 4.579 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001463663650 1068487704 /nfs/dbraw/zinc/48/77/04/1068487704.db2.gz GZSUCAACXYFKOC-IBGZPJMESA-N 0 0 457.514 4.520 20 0 JJADRN Cc1cc(S(=O)(=O)Oc2c(C)cc(F)cc2Br)c(F)cc1Br ZINC001463664924 1068487731 /nfs/dbraw/zinc/48/77/31/1068487731.db2.gz JUUKFEBPMXNKDU-UHFFFAOYSA-N 0 0 456.102 4.874 20 0 JJADRN CCc1ccc([C@@H]2CCCN(S(=O)(=O)c3cc(F)c(Br)cc3OC)C2)cc1 ZINC001463666859 1068488599 /nfs/dbraw/zinc/48/85/99/1068488599.db2.gz SDXWKMBILFKZRM-MRXNPFEDSA-N 0 0 456.377 4.728 20 0 JJADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001463666427 1068488633 /nfs/dbraw/zinc/48/86/33/1068488633.db2.gz IMVVYMVYSNRUBA-UHFFFAOYSA-N 0 0 455.285 4.709 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1C(=O)OC(C)C ZINC001463670588 1068489752 /nfs/dbraw/zinc/48/97/52/1068489752.db2.gz BSWYIHDQKOIBNO-MRXNPFEDSA-N 0 0 457.514 4.831 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)c3cc(C)c(OC)c(C)c3)c2)c1 ZINC001463671836 1068489765 /nfs/dbraw/zinc/48/97/65/1068489765.db2.gz ANWGEJHMJHWDLL-UHFFFAOYSA-N 0 0 457.548 4.600 20 0 JJADRN COc1cccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC001463672090 1068489787 /nfs/dbraw/zinc/48/97/87/1068489787.db2.gz GMTYHGGQRVRIBV-UHFFFAOYSA-N 0 0 452.576 4.724 20 0 JJADRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c2ccc(Br)cc21 ZINC001463676053 1068490454 /nfs/dbraw/zinc/49/04/54/1068490454.db2.gz JJGSXVFTEOMMKW-UHFFFAOYSA-N 0 0 454.148 4.540 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C3(Cc4ccc(O)cc4)CC3)ccc2C)c1 ZINC001463678464 1068491016 /nfs/dbraw/zinc/49/10/16/1068491016.db2.gz PBFDPLFBANQPIX-UHFFFAOYSA-N 0 0 450.560 4.771 20 0 JJADRN Cc1ccc2cccnc2c1S(=O)(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001463682029 1068492281 /nfs/dbraw/zinc/49/22/81/1068492281.db2.gz RUYSBIXHWJYHFJ-UHFFFAOYSA-N 0 0 451.411 4.767 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CCC(CC(F)(F)F)CC1 ZINC001463684562 1068493019 /nfs/dbraw/zinc/49/30/19/1068493019.db2.gz MVRORZOZIFAZFM-INIZCTEOSA-N 0 0 455.926 4.641 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)[C@]3(F)CN(C(=O)OC(C)(C)C)CC34COC4)cc2)c1 ZINC001463686672 1068493629 /nfs/dbraw/zinc/49/36/29/1068493629.db2.gz SQSDVQIMPIAOLT-RUZDIDTESA-N 0 0 456.514 4.701 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)NCCCCc3ccc(Cl)s3)cc2c1C ZINC001463690949 1068495444 /nfs/dbraw/zinc/49/54/44/1068495444.db2.gz IPDFHSQXIFNHQL-UHFFFAOYSA-N 0 0 455.985 4.934 20 0 JJADRN COCC[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC001463692847 1068495987 /nfs/dbraw/zinc/49/59/87/1068495987.db2.gz ODLGPIHRBNCFKO-OAHLLOKOSA-N 0 0 453.185 4.812 20 0 JJADRN O=S(=O)(c1ccc(F)c(Br)c1F)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC001463693041 1068496069 /nfs/dbraw/zinc/49/60/69/1068496069.db2.gz WKWZPKSKZVSMIU-UHFFFAOYSA-N 0 0 456.230 4.534 20 0 JJADRN O=S(=O)(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cccc2cnccc21 ZINC001463694261 1068496098 /nfs/dbraw/zinc/49/60/98/1068496098.db2.gz FBUMQDDVNYOKIV-OAQYLSRUSA-N 0 0 450.482 4.700 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)N2CCC[C@](C)(c3ccccc3)CC2)ccc1Br ZINC001463692839 1068496120 /nfs/dbraw/zinc/49/61/20/1068496120.db2.gz YWHRNDVFNKZXBO-NRFANRHFSA-N 0 0 450.398 4.784 20 0 JJADRN COc1cccc(S(=O)(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC ZINC001463694855 1068496696 /nfs/dbraw/zinc/49/66/96/1068496696.db2.gz BASCTYYXEJBZGP-UHFFFAOYSA-N 0 0 457.392 4.562 20 0 JJADRN COCC[C@@H](NS(=O)(=O)c1ccc(OC)c2cccnc21)c1ccc(Cl)c(Cl)c1 ZINC001463694525 1068496839 /nfs/dbraw/zinc/49/68/39/1068496839.db2.gz RUZDPEXGMXVOOJ-QGZVFWFLSA-N 0 0 455.363 4.606 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)cc2)co1 ZINC001463699118 1068498621 /nfs/dbraw/zinc/49/86/21/1068498621.db2.gz JDYICSAFPFNEBT-HXUWFJFHSA-N 0 0 452.454 4.978 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)cc2)co1 ZINC001463699114 1068498670 /nfs/dbraw/zinc/49/86/70/1068498670.db2.gz JDYICSAFPFNEBT-FQEVSTJZSA-N 0 0 452.454 4.978 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)cc1Br ZINC001463703103 1068500413 /nfs/dbraw/zinc/50/04/13/1068500413.db2.gz ZCIJBNRGCLZYMX-LRDDRELGSA-N 0 0 453.240 4.821 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC001463711751 1068502189 /nfs/dbraw/zinc/50/21/89/1068502189.db2.gz KZCUIUGXSPSMIT-KRWDZBQOSA-N 0 0 452.363 4.502 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CCOCC1 ZINC001546141068 1068502754 /nfs/dbraw/zinc/50/27/54/1068502754.db2.gz WOCGUYQOJBNEFZ-HNNXBMFYSA-N 0 0 473.565 4.838 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001463716673 1068503144 /nfs/dbraw/zinc/50/31/44/1068503144.db2.gz UDDGKKKKIQCGDA-LJQANCHMSA-N 0 0 452.492 4.766 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc1Cl ZINC001463715442 1068503403 /nfs/dbraw/zinc/50/34/03/1068503403.db2.gz PTNHXRGWVZYBKU-KRTXAFLBSA-N 0 0 460.223 4.896 20 0 JJADRN CCn1cc(N(CC(C)C)S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cn1 ZINC001463721381 1068504845 /nfs/dbraw/zinc/50/48/45/1068504845.db2.gz JVBBQDBCHWVZGG-UHFFFAOYSA-N 0 0 455.205 4.824 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc(Br)cc2)C2CC2)c2ccccc12 ZINC001463728914 1068506365 /nfs/dbraw/zinc/50/63/65/1068506365.db2.gz XVIPAUDECBXMGN-UHFFFAOYSA-N 0 0 459.365 4.918 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001463731567 1068506812 /nfs/dbraw/zinc/50/68/12/1068506812.db2.gz JJWCZRNWNIJBMW-KRWDZBQOSA-N 0 0 459.409 4.847 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1 ZINC001463733388 1068507392 /nfs/dbraw/zinc/50/73/92/1068507392.db2.gz IQLQOGZGMUYHTP-UHFFFAOYSA-N 0 0 450.608 4.947 20 0 JJADRN O=Cc1cccc(OCC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 ZINC001463736074 1068507893 /nfs/dbraw/zinc/50/78/93/1068507893.db2.gz KDHKJOXLOBWTOV-UHFFFAOYSA-N 0 0 454.979 4.604 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001463736753 1068508208 /nfs/dbraw/zinc/50/82/08/1068508208.db2.gz MZWYZSVWRDGMDI-ZHZULCJRSA-N 0 0 452.904 4.947 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 ZINC001463741270 1068509198 /nfs/dbraw/zinc/50/91/98/1068509198.db2.gz BGVBNCPMFGGNEU-SFHVURJKSA-N 0 0 453.608 4.758 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001463742728 1068509656 /nfs/dbraw/zinc/50/96/56/1068509656.db2.gz HDJXPJYJVDPJIM-OAHLLOKOSA-N 0 0 457.621 4.554 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)s1 ZINC001463744097 1068510142 /nfs/dbraw/zinc/51/01/42/1068510142.db2.gz JHZWTOTZRATQCW-UHFFFAOYSA-N 0 0 452.960 4.864 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC001463743902 1068510347 /nfs/dbraw/zinc/51/03/47/1068510347.db2.gz IZYWCKDWLDLQKY-CYBMUJFWSA-N 0 0 452.527 4.822 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)s1 ZINC001463746127 1068511270 /nfs/dbraw/zinc/51/12/70/1068511270.db2.gz MKXFARADVMTSCN-CYBMUJFWSA-N 0 0 450.427 4.948 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2)c1 ZINC001463747230 1068511357 /nfs/dbraw/zinc/51/13/57/1068511357.db2.gz BAFMJJULTIAIAF-OAHLLOKOSA-N 0 0 455.605 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 ZINC001463749308 1068511805 /nfs/dbraw/zinc/51/18/05/1068511805.db2.gz SJMLUEICFULFRG-KRWDZBQOSA-N 0 0 458.942 4.656 20 0 JJADRN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001463749353 1068511843 /nfs/dbraw/zinc/51/18/43/1068511843.db2.gz SQNMMCIOOJYVHH-UHFFFAOYSA-N 0 0 452.816 4.704 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c([nH]3)c(Br)ccc4C)CC2)c(F)c1 ZINC001463757229 1068514037 /nfs/dbraw/zinc/51/40/37/1068514037.db2.gz SEWZKGAOTPXJNG-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2ccc(C3CC3)cc2Cl)cc1NC(=O)c1ccccn1 ZINC001463759687 1068515233 /nfs/dbraw/zinc/51/52/33/1068515233.db2.gz MPJBVFAXXQANSL-UHFFFAOYSA-N 0 0 458.923 4.641 20 0 JJADRN CCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)cc1OC ZINC001463760400 1068515331 /nfs/dbraw/zinc/51/53/31/1068515331.db2.gz MZIHVAKZJDYPTG-FOIQADDNSA-N 0 0 457.514 4.736 20 0 JJADRN O=S(=O)(NCc1c(Cl)cccc1-n1ccnc1)c1c(Cl)cc(Cl)cc1Cl ZINC001463761044 1068515921 /nfs/dbraw/zinc/51/59/21/1068515921.db2.gz PCBRSOZZJVQFMJ-UHFFFAOYSA-N 0 0 451.162 4.964 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463766943 1068517769 /nfs/dbraw/zinc/51/77/69/1068517769.db2.gz YCDVKRXJRLDPMN-ZHRRBRCNSA-N 0 0 453.526 4.602 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccccc1-c1ccno1 ZINC001463767828 1068518091 /nfs/dbraw/zinc/51/80/91/1068518091.db2.gz ZTEAPSWTLXKFBY-AUUYWEPGSA-N 0 0 452.454 4.511 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(C)c1C ZINC001463770169 1068518623 /nfs/dbraw/zinc/51/86/23/1068518623.db2.gz XSVOAZDEJHARLR-HXUWFJFHSA-N 0 0 450.645 4.829 20 0 JJADRN O=S(=O)(c1ccc2ncsc2c1)N1CCCC[C@H]1Cc1ccccc1Br ZINC001463772894 1068519719 /nfs/dbraw/zinc/51/97/19/1068519719.db2.gz HFHHURBGCJUUCF-HNNXBMFYSA-N 0 0 451.411 4.845 20 0 JJADRN Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c(-c2ccccc2)s1 ZINC001463773934 1068520534 /nfs/dbraw/zinc/52/05/34/1068520534.db2.gz IJAUNLTZEPCIAU-OAHLLOKOSA-N 0 0 457.577 4.505 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001463777452 1068521670 /nfs/dbraw/zinc/52/16/70/1068521670.db2.gz RMHDOCLMTOCLNE-ROUUACIJSA-N 0 0 457.036 4.696 20 0 JJADRN COc1cc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC ZINC001463777579 1068522079 /nfs/dbraw/zinc/52/20/79/1068522079.db2.gz MKKGJWANZAAPJR-MRXNPFEDSA-N 0 0 456.539 4.970 20 0 JJADRN CCN(CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccccc1 ZINC001463780159 1068522650 /nfs/dbraw/zinc/52/26/50/1068522650.db2.gz YJLPEYPGLAAUEG-UHFFFAOYSA-N 0 0 453.489 4.569 20 0 JJADRN CN(CCc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001463784740 1068522974 /nfs/dbraw/zinc/52/29/74/1068522974.db2.gz KAGLZAYVBLKPHI-UHFFFAOYSA-N 0 0 456.711 4.985 20 0 JJADRN CCn1c2ccccc2c2cc(NC(=O)CS(=O)(=O)c3ccc(C(C)=O)c(F)c3)ccc21 ZINC001463783453 1068523012 /nfs/dbraw/zinc/52/30/12/1068523012.db2.gz KSGUBLJBBZKUFA-UHFFFAOYSA-N 0 0 452.507 4.569 20 0 JJADRN CN(CCc1cccc(Br)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001463783654 1068523332 /nfs/dbraw/zinc/52/33/32/1068523332.db2.gz IBPWYYKJHIVGPM-UHFFFAOYSA-N 0 0 456.711 4.985 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC001463785761 1068523680 /nfs/dbraw/zinc/52/36/80/1068523680.db2.gz TUHNRSVQVONIAS-LJQANCHMSA-N 0 0 457.368 4.911 20 0 JJADRN CCCCN([C@@H]1CCC[C@@H](C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463787265 1068523775 /nfs/dbraw/zinc/52/37/75/1068523775.db2.gz UXGMVYNYGLNJEW-MZYLBHOOSA-N 0 0 450.645 4.798 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cc1C ZINC001463788619 1068524186 /nfs/dbraw/zinc/52/41/86/1068524186.db2.gz XUXMHNUQENVRIA-OAQYLSRUSA-N 0 0 451.032 4.578 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)c1 ZINC001463789070 1068524772 /nfs/dbraw/zinc/52/47/72/1068524772.db2.gz ZTIFEBMZQPEAIC-GOSISDBHSA-N 0 0 458.805 4.851 20 0 JJADRN O=C(Cc1ccc(C(F)(F)F)cc1)NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463795095 1068526988 /nfs/dbraw/zinc/52/69/88/1068526988.db2.gz IOXHIVLDWGBMRY-UHFFFAOYSA-N 0 0 453.508 4.686 20 0 JJADRN O=S(=O)(NCc1cc(F)cnc1Cl)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463795672 1068527585 /nfs/dbraw/zinc/52/75/85/1068527585.db2.gz PTBYGZXZMDVUAA-UHFFFAOYSA-N 0 0 455.736 4.782 20 0 JJADRN CCc1c(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)[nH]c(C)c1C(C)=O ZINC001463800697 1068529270 /nfs/dbraw/zinc/52/92/70/1068529270.db2.gz MJYIIIAVVAMTRW-UHFFFAOYSA-N 0 0 453.583 4.914 20 0 JJADRN CSCC[C@@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC001463800689 1068529602 /nfs/dbraw/zinc/52/96/02/1068529602.db2.gz RPJHMBGDKLPMJY-UVQBRAAOSA-N 0 0 456.440 4.808 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCOc1ccccc1 ZINC001463808020 1068532127 /nfs/dbraw/zinc/53/21/27/1068532127.db2.gz UDGROOBNAMLFTC-FQEVSTJZSA-N 0 0 458.558 4.889 20 0 JJADRN Cc1nc(-c2ccc(CCNC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)s2)cs1 ZINC001463807347 1068532236 /nfs/dbraw/zinc/53/22/36/1068532236.db2.gz KZGAYBVUANVIOG-UHFFFAOYSA-N 0 0 458.609 4.572 20 0 JJADRN CCc1nc(S(=O)(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cn1CC1CC1 ZINC001463809309 1068532411 /nfs/dbraw/zinc/53/24/11/1068532411.db2.gz SDGPASUEULDJKW-SFHVURJKSA-N 0 0 457.562 4.810 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2Br)CCC1)c1ccc(C(F)(F)F)s1 ZINC001463810253 1068532879 /nfs/dbraw/zinc/53/28/79/1068532879.db2.gz UVIMAWVESOKGQU-UHFFFAOYSA-N 0 0 454.333 4.930 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1ccccc1N1CCCC1=O ZINC001463811776 1068533490 /nfs/dbraw/zinc/53/34/90/1068533490.db2.gz XXJOZWGXJRMONA-UHFFFAOYSA-N 0 0 456.663 4.510 20 0 JJADRN CCN1C[C@H](CN(C)C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)Oc2ccccc21 ZINC001463813408 1068534118 /nfs/dbraw/zinc/53/41/18/1068534118.db2.gz UKWIIPUPAUAQFD-SFHVURJKSA-N 0 0 458.484 4.763 20 0 JJADRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001463815780 1068534593 /nfs/dbraw/zinc/53/45/93/1068534593.db2.gz FMHCPQCZCPSYHC-UHFFFAOYSA-N 0 0 454.408 4.935 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC001463817437 1068534698 /nfs/dbraw/zinc/53/46/98/1068534698.db2.gz REDMXRSBFMQPQG-HSZRJFAPSA-N 0 0 455.963 4.985 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)cc1 ZINC001463818958 1068535039 /nfs/dbraw/zinc/53/50/39/1068535039.db2.gz XPVAWRWZDBUJIF-UHFFFAOYSA-N 0 0 455.498 4.584 20 0 JJADRN O=S(=O)(c1ccccc1Cl)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001463818869 1068535295 /nfs/dbraw/zinc/53/52/95/1068535295.db2.gz MQVMVOTXJIOJMM-GFCCVEGCSA-N 0 0 459.768 4.809 20 0 JJADRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001463819131 1068535311 /nfs/dbraw/zinc/53/53/11/1068535311.db2.gz WHYKITAAPYCKLX-QHCPKHFHSA-N 0 0 454.615 4.754 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001463820620 1068535753 /nfs/dbraw/zinc/53/57/53/1068535753.db2.gz QGODDPLSEIFTIV-KRWDZBQOSA-N 0 0 454.995 4.803 20 0 JJADRN O=S(=O)(c1ccc(F)cc1Br)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001463825975 1068537705 /nfs/dbraw/zinc/53/77/05/1068537705.db2.gz NUCDOPGXKDZYPL-UHFFFAOYSA-N 0 0 455.324 4.777 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001463827195 1068538750 /nfs/dbraw/zinc/53/87/50/1068538750.db2.gz GLUGNZGYGKXWDZ-IBGZPJMESA-N 0 0 454.361 4.903 20 0 JJADRN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001463828421 1068539392 /nfs/dbraw/zinc/53/93/92/1068539392.db2.gz IVUKSIIZZREJDD-LAUBAEHRSA-N 0 0 458.555 4.680 20 0 JJADRN COc1ccc(NC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OCC(F)(F)F ZINC001463833262 1068540615 /nfs/dbraw/zinc/54/06/15/1068540615.db2.gz DPSVCZXRDNDUPK-QVKFZJNVSA-N 0 0 458.477 4.612 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001463832471 1068540687 /nfs/dbraw/zinc/54/06/87/1068540687.db2.gz LQOJRNDDKNTZLC-VQIMIIECSA-N 0 0 452.661 4.772 20 0 JJADRN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1oc(C2CC2)nc1C(F)F ZINC001463835077 1068541332 /nfs/dbraw/zinc/54/13/32/1068541332.db2.gz LGNPZKDXWUZODJ-UHFFFAOYSA-N 0 0 451.426 4.682 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)C(C)(C)c3csc(-c4cccs4)n3)CC2)cc1 ZINC001463837297 1068542421 /nfs/dbraw/zinc/54/24/21/1068542421.db2.gz ZHPIOIIMXORCCF-UHFFFAOYSA-N 0 0 455.649 4.892 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)c2ccc(-c3nccs3)cc2)c(F)c1Cl ZINC001463839364 1068543715 /nfs/dbraw/zinc/54/37/15/1068543715.db2.gz BVHBOIQFNOYJLI-UHFFFAOYSA-N 0 0 457.911 4.525 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001463841454 1068544146 /nfs/dbraw/zinc/54/41/46/1068544146.db2.gz FRVQAYSYDRYGSR-QZTJIDSGSA-N 0 0 468.550 4.889 20 0 JJADRN CC(C)(C)CCCS(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001463840233 1068544188 /nfs/dbraw/zinc/54/41/88/1068544188.db2.gz CJOWIZJMIDMPCJ-VQTJNVASSA-N 0 0 456.624 4.664 20 0 JJADRN COC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)CCC1 ZINC001463841103 1068544247 /nfs/dbraw/zinc/54/42/47/1068544247.db2.gz BHGAIDUILCELTI-UHFFFAOYSA-N 0 0 456.536 4.618 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001463843944 1068545306 /nfs/dbraw/zinc/54/53/06/1068545306.db2.gz NOLYRMMVKHZNSB-FCHUYYIVSA-N 0 0 476.614 4.822 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)CCCCN(C)C(=O)OC(C)(C)C)cc1 ZINC001463842632 1068545468 /nfs/dbraw/zinc/54/54/68/1068545468.db2.gz MSFZEMNDQIAJIF-UHFFFAOYSA-N 0 0 456.539 4.890 20 0 JJADRN COc1ccc(NC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)cc1Cc1ccccc1 ZINC001463848867 1068547186 /nfs/dbraw/zinc/54/71/86/1068547186.db2.gz WWNDZXVWLWADON-LVXARBLLSA-N 0 0 454.567 4.639 20 0 JJADRN O=Cc1cccc(OS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)c1Br ZINC001463849097 1068547796 /nfs/dbraw/zinc/54/77/96/1068547796.db2.gz CFRUBJNUWHEXQL-UHFFFAOYSA-N 0 0 451.260 4.622 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001546142244 1068548289 /nfs/dbraw/zinc/54/82/89/1068548289.db2.gz GKAUIIDHRYADES-UHFFFAOYSA-N 0 0 475.678 4.977 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC001463859351 1068549381 /nfs/dbraw/zinc/54/93/81/1068549381.db2.gz MJGZBIJIIYUJOH-UHFFFAOYSA-N 0 0 457.014 4.861 20 0 JJADRN C[C@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1nc2ccccc2n1C(F)F ZINC001463862425 1068549900 /nfs/dbraw/zinc/54/99/00/1068549900.db2.gz QIZOATIDNNNPEG-HNAYVOBHSA-N 0 0 456.493 4.656 20 0 JJADRN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC001463871442 1068551860 /nfs/dbraw/zinc/55/18/60/1068551860.db2.gz ZCHWZAXPRMXLGJ-UHFFFAOYSA-N 0 0 458.349 4.521 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC001463871012 1068552057 /nfs/dbraw/zinc/55/20/57/1068552057.db2.gz FXUDNQFYKCAHPO-UHFFFAOYSA-N 0 0 451.430 4.515 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)cc1OCc1ccncc1 ZINC001463873835 1068552927 /nfs/dbraw/zinc/55/29/27/1068552927.db2.gz MJFKDIZTQJNLOR-UHFFFAOYSA-N 0 0 450.495 4.664 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)C1(CO)CCCCC1)c1ccc2nc(Cl)sc2c1 ZINC001463879352 1068554490 /nfs/dbraw/zinc/55/44/90/1068554490.db2.gz FJUAMWGRTZSYJA-LJQANCHMSA-N 0 0 451.013 4.912 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 ZINC001463884637 1068555121 /nfs/dbraw/zinc/55/51/21/1068555121.db2.gz ZGJDHPXZLAAIOM-UHFFFAOYSA-N 0 0 453.934 4.501 20 0 JJADRN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001463888025 1068556174 /nfs/dbraw/zinc/55/61/74/1068556174.db2.gz PBHDBGUOBDJBHU-UHFFFAOYSA-N 0 0 458.358 4.968 20 0 JJADRN COc1ccc([C@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)CC2(C)CCCCC2)cc1 ZINC001463888363 1068556679 /nfs/dbraw/zinc/55/66/79/1068556679.db2.gz PNRSAGGBWFGATE-SQJMNOBHSA-N 0 0 459.652 4.962 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)c2ccco2)cc1 ZINC001463892405 1068557078 /nfs/dbraw/zinc/55/70/78/1068557078.db2.gz BUKUPSIVEGLORI-SFHVURJKSA-N 0 0 456.745 4.772 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546142500 1068557098 /nfs/dbraw/zinc/55/70/98/1068557098.db2.gz LLGGITKKDXKLEB-IFMALSPDSA-N 0 0 456.631 4.542 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001463891155 1068557298 /nfs/dbraw/zinc/55/72/98/1068557298.db2.gz VUNSQNWNLWGWJE-VQTJNVASSA-N 0 0 455.498 4.839 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1ccc(NC(=O)NC(C)C)cc1)N2C(=O)OC(C)(C)C ZINC001463892954 1068557807 /nfs/dbraw/zinc/55/78/07/1068557807.db2.gz DCXNHVSLVQZSQT-NRFANRHFSA-N 0 0 452.555 4.830 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1Br ZINC001463892682 1068557820 /nfs/dbraw/zinc/55/78/20/1068557820.db2.gz CPANQCGRFQRATJ-INIZCTEOSA-N 0 0 454.162 4.682 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(Cl)c1 ZINC001463895514 1068558264 /nfs/dbraw/zinc/55/82/64/1068558264.db2.gz DPENPLAOUMSOAI-UHFFFAOYSA-N 0 0 458.927 4.608 20 0 JJADRN CC(C)NC(=O)Nc1ccc(NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC001463894423 1068558368 /nfs/dbraw/zinc/55/83/68/1068558368.db2.gz MSSYACPFTDZVMX-SFHVURJKSA-N 0 0 457.531 4.529 20 0 JJADRN Cc1cc(C2(NS(=O)(=O)c3cn(CC(C)C)cn3)CCCCC2)ccc1Br ZINC001463895233 1068558412 /nfs/dbraw/zinc/55/84/12/1068558412.db2.gz UGTQHKKUULXTOY-UHFFFAOYSA-N 0 0 454.434 4.748 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC001463898828 1068559315 /nfs/dbraw/zinc/55/93/15/1068559315.db2.gz CTTIVAFTQSUBKM-UHFFFAOYSA-N 0 0 452.935 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC001463902818 1068560482 /nfs/dbraw/zinc/56/04/82/1068560482.db2.gz IRRGRMXIGMKKQG-HXUWFJFHSA-N 0 0 451.567 4.592 20 0 JJADRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001463906715 1068561113 /nfs/dbraw/zinc/56/11/13/1068561113.db2.gz JJBIFZMQEXSMIG-UHFFFAOYSA-N 0 0 457.596 4.679 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC001463907917 1068561138 /nfs/dbraw/zinc/56/11/38/1068561138.db2.gz NAURFGCTGAGUSV-HNNXBMFYSA-N 0 0 452.910 4.571 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccccc2-c2nc3ccccc3s2)=NO1 ZINC001463908301 1068561688 /nfs/dbraw/zinc/56/16/88/1068561688.db2.gz XVJIAKXTMQZPCP-CQSZACIVSA-N 0 0 452.536 4.571 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C)c1nccn1C ZINC001463911353 1068562815 /nfs/dbraw/zinc/56/28/15/1068562815.db2.gz TWQNUSWGQMBOJW-IBGZPJMESA-N 0 0 454.502 4.658 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1C ZINC001463913706 1068563561 /nfs/dbraw/zinc/56/35/61/1068563561.db2.gz VZEBQKJIUIGSAA-HNNXBMFYSA-N 0 0 452.521 4.930 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC001463913448 1068563619 /nfs/dbraw/zinc/56/36/19/1068563619.db2.gz HZUMTQOSVXQKNO-UHFFFAOYSA-N 0 0 456.424 4.717 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC001463915621 1068564359 /nfs/dbraw/zinc/56/43/59/1068564359.db2.gz COFFGPWKDKWHCM-UHFFFAOYSA-N 0 0 450.335 4.794 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCc2c1cccc2Br ZINC001463919318 1068565527 /nfs/dbraw/zinc/56/55/27/1068565527.db2.gz GQRFFQPOPRUZJY-UHFFFAOYSA-N 0 0 451.567 4.616 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2csc(C3CCCCC3)c2)N2CCOCC2)cc1OC ZINC001463927512 1068567693 /nfs/dbraw/zinc/56/76/93/1068567693.db2.gz HBXYHNTWCMGWIV-OAQYLSRUSA-N 0 0 458.624 4.616 20 0 JJADRN COc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1O ZINC001463926620 1068567787 /nfs/dbraw/zinc/56/77/87/1068567787.db2.gz YNDUEDPPHFMOFD-CFSVISAESA-N 0 0 451.544 4.667 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2cc(C)nc(C(F)(F)F)n2)c2c[nH]c3ccccc32)cc1 ZINC001463932515 1068569285 /nfs/dbraw/zinc/56/92/85/1068569285.db2.gz ONCTWQHEHKNOOX-GOSISDBHSA-N 0 0 454.452 4.856 20 0 JJADRN CC(C)(C(=O)NCc1ccnc(N2CCCC2)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001463933456 1068569515 /nfs/dbraw/zinc/56/95/15/1068569515.db2.gz TUTYDZMTYKWYHZ-AREMUKBSSA-N 0 0 459.590 4.637 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCC(c3ccccc3)CC2)c(C)c1C ZINC001463937795 1068570557 /nfs/dbraw/zinc/57/05/57/1068570557.db2.gz LHSYAWCNBFPQQB-UHFFFAOYSA-N 0 0 456.652 4.740 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001463937033 1068570573 /nfs/dbraw/zinc/57/05/73/1068570573.db2.gz QPHJLWPFGQMZCE-PBHICJAKSA-N 0 0 456.593 4.716 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c(C)c1F ZINC001463937226 1068570711 /nfs/dbraw/zinc/57/07/11/1068570711.db2.gz RUUHGUJTWMGMMH-QGZVFWFLSA-N 0 0 454.608 4.551 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCCOc1ccc(F)cc1 ZINC001463940931 1068571133 /nfs/dbraw/zinc/57/11/33/1068571133.db2.gz GYLHISUHVAXURJ-FQEVSTJZSA-N 0 0 456.461 4.551 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCOC2)CCCC1 ZINC001546142853 1068571717 /nfs/dbraw/zinc/57/17/17/1068571717.db2.gz SIYJTJKQMWJYQO-HXUWFJFHSA-N 0 0 461.651 4.588 20 0 JJADRN Cc1nc(CN2CCN(C(=O)Cc3cccc(OCc4ccc(Cl)cc4)c3)CC2)cs1 ZINC001463943945 1068571784 /nfs/dbraw/zinc/57/17/84/1068571784.db2.gz BLHBTOKLWSNCOH-UHFFFAOYSA-N 0 0 456.011 4.571 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142857 1068571884 /nfs/dbraw/zinc/57/18/84/1068571884.db2.gz SJZWYSJVDOKPDG-NHCUHLMSSA-N 0 0 475.678 4.978 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142856 1068571901 /nfs/dbraw/zinc/57/19/01/1068571901.db2.gz SJZWYSJVDOKPDG-LEWJYISDSA-N 0 0 475.678 4.978 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001463946114 1068572298 /nfs/dbraw/zinc/57/22/98/1068572298.db2.gz BHGJJHNEUXMGAQ-OUSOISDYSA-N 0 0 458.942 4.825 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463948916 1068572713 /nfs/dbraw/zinc/57/27/13/1068572713.db2.gz HHLFGFPUDAFELO-XPFMCRKWSA-N 0 0 458.967 4.659 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001463949130 1068572721 /nfs/dbraw/zinc/57/27/21/1068572721.db2.gz VXMHDATXYPSYTC-UHFFFAOYSA-N 0 0 458.930 4.722 20 0 JJADRN C[C@H](CNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1)CC(F)F ZINC001463949364 1068572802 /nfs/dbraw/zinc/57/28/02/1068572802.db2.gz RGMHJRZJEZXBMF-NSHDSACASA-N 0 0 452.292 4.950 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)cc2)cc1 ZINC001463951445 1068573229 /nfs/dbraw/zinc/57/32/29/1068573229.db2.gz VEAUFFFEUHRVPL-WZONZLPQSA-N 0 0 456.589 4.794 20 0 JJADRN O=S(=O)(NCc1cc(Cl)ccc1Br)c1ccc2sc(Cl)nc2c1 ZINC001463952929 1068573673 /nfs/dbraw/zinc/57/36/73/1068573673.db2.gz UHKNMCKFQMPGLH-UHFFFAOYSA-N 0 0 452.182 4.844 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H](C3CCC3)C3CCCCC3)cc2c1C ZINC001463954400 1068574423 /nfs/dbraw/zinc/57/44/23/1068574423.db2.gz IXZGAKPYFCPEHP-IBGZPJMESA-N 0 0 450.626 4.809 20 0 JJADRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)C[C@H]2Oc3ccccc3NC2=O)c1 ZINC001463955563 1068574754 /nfs/dbraw/zinc/57/47/54/1068574754.db2.gz HOQDGRDECBWNKM-AVRWGWEMSA-N 0 0 457.530 4.525 20 0 JJADRN Cc1ccc(OCCC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC001463955337 1068574786 /nfs/dbraw/zinc/57/47/86/1068574786.db2.gz ZVUQGBZYQIGFPY-ZHZULCJRSA-N 0 0 458.967 4.578 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C ZINC001463955678 1068574873 /nfs/dbraw/zinc/57/48/73/1068574873.db2.gz XIGBIHVERPNSKY-SFHVURJKSA-N 0 0 454.386 4.515 20 0 JJADRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 ZINC001463957142 1068575345 /nfs/dbraw/zinc/57/53/45/1068575345.db2.gz OXSGFPCZLLOQTR-QGZVFWFLSA-N 0 0 457.530 4.668 20 0 JJADRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 ZINC001463957136 1068575357 /nfs/dbraw/zinc/57/53/57/1068575357.db2.gz OXSGFPCZLLOQTR-KRWDZBQOSA-N 0 0 457.530 4.668 20 0 JJADRN O=S(=O)(N[C@H](C1CCC1)C1CCCC1)c1cc(Br)cc(Br)c1 ZINC001463956211 1068575387 /nfs/dbraw/zinc/57/53/87/1068575387.db2.gz MZFCMSRGKDZKAB-INIZCTEOSA-N 0 0 451.224 4.849 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccccc2SCC(F)(F)F)cc1OCC ZINC001463961366 1068576035 /nfs/dbraw/zinc/57/60/35/1068576035.db2.gz LKMHICLZJYPXLB-UHFFFAOYSA-N 0 0 456.486 4.507 20 0 JJADRN O=S(=O)(c1cccc(COCC(F)(F)C(F)F)c1)N1CCc2sc(Cl)cc2C1 ZINC001463966362 1068577029 /nfs/dbraw/zinc/57/70/29/1068577029.db2.gz VVROXRWPPIZBNA-UHFFFAOYSA-N 0 0 457.898 4.566 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC001463969060 1068577851 /nfs/dbraw/zinc/57/78/51/1068577851.db2.gz PBDQIHYEXBGBDH-UHFFFAOYSA-N 0 0 450.604 4.701 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001463972355 1068578597 /nfs/dbraw/zinc/57/85/97/1068578597.db2.gz AXNZJEINASFKBZ-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001463977590 1068580234 /nfs/dbraw/zinc/58/02/34/1068580234.db2.gz QNNFANWOTWZXDX-UHFFFAOYSA-N 0 0 458.169 4.950 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC001463976756 1068580309 /nfs/dbraw/zinc/58/03/09/1068580309.db2.gz ZQUBBPKXWOILJN-KRWDZBQOSA-N 0 0 452.045 4.695 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001463977670 1068580385 /nfs/dbraw/zinc/58/03/85/1068580385.db2.gz QQTBLYIFHKFUGB-RDJZCZTQSA-N 0 0 456.530 4.681 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463979874 1068580790 /nfs/dbraw/zinc/58/07/90/1068580790.db2.gz SSCVOCATUCHNLF-UHFFFAOYSA-N 0 0 455.376 4.580 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC001463987320 1068582082 /nfs/dbraw/zinc/58/20/82/1068582082.db2.gz FDKJWQUZTDZRGS-UHFFFAOYSA-N 0 0 458.299 4.508 20 0 JJADRN O=C(c1cnc2c(Cl)cc(Br)cc2c1O)N1CC=C(c2ccc(O)cc2)CC1 ZINC001463995774 1068583589 /nfs/dbraw/zinc/58/35/89/1068583589.db2.gz IMKYWVOUNJXCES-UHFFFAOYSA-N 0 0 459.727 4.579 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)ccc1OCc1ccccc1 ZINC001463998312 1068584490 /nfs/dbraw/zinc/58/44/90/1068584490.db2.gz OGXZNJHAILMKOB-GSPCLOLRSA-N 0 0 480.605 4.782 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@H](O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1 ZINC001464000770 1068585062 /nfs/dbraw/zinc/58/50/62/1068585062.db2.gz XINHWAJDLBGJAN-QHCPKHFHSA-N 0 0 459.464 4.985 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2F)CCC1)c1cc(Cl)c(Br)cc1F ZINC001464002137 1068585588 /nfs/dbraw/zinc/58/55/88/1068585588.db2.gz LFNRKCVWNWIYCM-UHFFFAOYSA-N 0 0 450.732 4.781 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2OC)c2ccccc2)cc1 ZINC001464004879 1068586607 /nfs/dbraw/zinc/58/66/07/1068586607.db2.gz KSWDOXIAPFHVPG-PTGBLXJZSA-N 0 0 450.560 4.563 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)COC(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC001464006907 1068587058 /nfs/dbraw/zinc/58/70/58/1068587058.db2.gz KQCMGBDTJRRKKX-RUZDIDTESA-N 0 0 457.574 4.995 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)COC(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC001464006909 1068587245 /nfs/dbraw/zinc/58/72/45/1068587245.db2.gz KQCMGBDTJRRKKX-VWLOTQADSA-N 0 0 457.574 4.995 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001464009361 1068587751 /nfs/dbraw/zinc/58/77/51/1068587751.db2.gz PSZOQFFEJSQAHV-KRWDZBQOSA-N 0 0 454.297 4.685 20 0 JJADRN CC(=O)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c(Br)c1 ZINC001464009384 1068587820 /nfs/dbraw/zinc/58/78/20/1068587820.db2.gz DDAGLABLEAVCFV-UHFFFAOYSA-N 0 0 455.660 4.674 20 0 JJADRN COc1cc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cc(OC)c1Br ZINC001546143603 1068588174 /nfs/dbraw/zinc/58/81/74/1068588174.db2.gz OOALNVCHPPWDEX-IBGZPJMESA-N 0 0 453.720 4.642 20 0 JJADRN C[C@H](CC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1cccc(C(F)(F)F)c1 ZINC001464017974 1068590611 /nfs/dbraw/zinc/59/06/11/1068590611.db2.gz VUDAVRNIKGVRQJ-QGZVFWFLSA-N 0 0 458.484 4.593 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N(C)[C@@H](CO)c3cccc(Cl)c3Cl)c2)n1 ZINC001464026777 1068592289 /nfs/dbraw/zinc/59/22/89/1068592289.db2.gz XRVXBVCCALJYRD-KRWDZBQOSA-N 0 0 455.363 4.619 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Br)cc1 ZINC001464028674 1068592952 /nfs/dbraw/zinc/59/29/52/1068592952.db2.gz ROGBYLYJLDFROZ-GOSISDBHSA-N 0 0 456.377 4.524 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NS(=O)(=O)c2cccc3c2CCN(C)C3)cc1)c1ccccc1 ZINC001464030241 1068593408 /nfs/dbraw/zinc/59/34/08/1068593408.db2.gz OJXMEVNBEANQLO-VQTJNVASSA-N 0 0 450.604 4.854 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCc4ccc(C(C)C)cc4C3)cc2c1C ZINC001464029697 1068593444 /nfs/dbraw/zinc/59/34/44/1068593444.db2.gz MSTGAQUQSAWOQK-UHFFFAOYSA-N 0 0 458.605 4.652 20 0 JJADRN CC(C)(C)c1ccc(C[C@]2(C)CCCN2S(=O)(=O)c2cncc(Br)c2)cc1 ZINC001464029864 1068593514 /nfs/dbraw/zinc/59/35/14/1068593514.db2.gz PACYUBDEXLBKGY-NRFANRHFSA-N 0 0 451.430 4.928 20 0 JJADRN CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)c1cccc(Br)c1 ZINC001464030554 1068594112 /nfs/dbraw/zinc/59/41/12/1068594112.db2.gz CAQCYULEFYDHJR-FPLPWBNLSA-N 0 0 455.146 4.992 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)c1cccc(OC)c1 ZINC001464035007 1068595134 /nfs/dbraw/zinc/59/51/34/1068595134.db2.gz ONAFZHBWMWUXJI-XMMPIXPASA-N 0 0 455.576 4.557 20 0 JJADRN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001464035882 1068595600 /nfs/dbraw/zinc/59/56/00/1068595600.db2.gz UYFKQHZQZAZANR-CQSZACIVSA-N 0 0 453.358 4.987 20 0 JJADRN CN(C1CC(C)(C)CC(C)(C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001464041791 1068597457 /nfs/dbraw/zinc/59/74/57/1068597457.db2.gz LREHEYGTWWBUFI-NRFANRHFSA-N 0 0 450.645 4.654 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001464041110 1068597484 /nfs/dbraw/zinc/59/74/84/1068597484.db2.gz MPBLODFDVQEOBU-OFVUQQGYSA-N 0 0 473.360 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c2ccccc21 ZINC001464041388 1068597539 /nfs/dbraw/zinc/59/75/39/1068597539.db2.gz HLFTZHHEDOYWOK-BWKNWUBXSA-N 0 0 450.579 4.888 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 ZINC001464041923 1068597940 /nfs/dbraw/zinc/59/79/40/1068597940.db2.gz BVOFKAVMIXHMFK-OAQYLSRUSA-N 0 0 457.958 4.667 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@]3(C)Cc3ccc(OC(F)(F)F)cc3)ccc2O1 ZINC001464043349 1068597963 /nfs/dbraw/zinc/59/79/63/1068597963.db2.gz OUSNWKLRSQUEEV-VFNWGFHPSA-N 0 0 455.498 4.695 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001464047790 1068599723 /nfs/dbraw/zinc/59/97/23/1068599723.db2.gz UCXPIVOGSADUBT-VWLOTQADSA-N 0 0 454.571 4.850 20 0 JJADRN Cc1nc(S(=O)(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)c(-c2ccccc2)s1 ZINC001464051130 1068600497 /nfs/dbraw/zinc/60/04/97/1068600497.db2.gz ASMJKFVWLNVRLI-UHFFFAOYSA-N 0 0 450.626 4.641 20 0 JJADRN CO[C@](C)(CNS(=O)(=O)c1c(C)sc2ccc(Cl)cc21)COCc1ccccc1 ZINC001464052607 1068600961 /nfs/dbraw/zinc/60/09/61/1068600961.db2.gz SCJHLCVNCJFMHP-OAQYLSRUSA-N 0 0 454.013 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NS(=O)(=O)c2cccc3ccoc32)C1 ZINC001464052847 1068600978 /nfs/dbraw/zinc/60/09/78/1068600978.db2.gz STQSRGUGEIPKNY-WOJBJXKFSA-N 0 0 474.554 4.643 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccc(F)cc3F)C3CC3)c2)c1 ZINC001464057596 1068601820 /nfs/dbraw/zinc/60/18/20/1068601820.db2.gz NBESQOKWTYRQSZ-UHFFFAOYSA-N 0 0 456.514 4.879 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)NC3(c4ccc(Br)cc4)CCCCC3)ccc2O1 ZINC001464059639 1068602401 /nfs/dbraw/zinc/60/24/01/1068602401.db2.gz QSUSJRGZIDLKTK-HNNXBMFYSA-N 0 0 450.398 4.910 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001464061949 1068603044 /nfs/dbraw/zinc/60/30/44/1068603044.db2.gz HSHCSYXPYNIZSO-GOSISDBHSA-N 0 0 455.498 4.644 20 0 JJADRN CCN(Cc1cccc(Br)c1)C(=O)CCSCCCNC(=O)OC(C)(C)C ZINC001464065339 1068603626 /nfs/dbraw/zinc/60/36/26/1068603626.db2.gz ISTXCBBRYVTSFL-UHFFFAOYSA-N 0 0 459.450 4.836 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001464072107 1068604905 /nfs/dbraw/zinc/60/49/05/1068604905.db2.gz HVUVZDGCCBGVEF-HXUWFJFHSA-N 0 0 457.958 4.515 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC001464070588 1068605019 /nfs/dbraw/zinc/60/50/19/1068605019.db2.gz MVSVEZICPCFQCN-UHFFFAOYSA-N 0 0 452.986 4.616 20 0 JJADRN CC/C(=C/C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1)c1ccc(OC)cc1 ZINC001464077681 1068607680 /nfs/dbraw/zinc/60/76/80/1068607680.db2.gz FZRVDMKIDCJOPO-BBLCHGJFSA-N 0 0 458.484 4.956 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)N3CCCc4c(OC)cc(OC)cc43)cc2)cc1 ZINC001464086285 1068609607 /nfs/dbraw/zinc/60/96/07/1068609607.db2.gz WRXKSLSASKGYOP-UHFFFAOYSA-N 0 0 455.532 4.646 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001464086165 1068609757 /nfs/dbraw/zinc/60/97/57/1068609757.db2.gz AYERRVXFZOTFSP-CVDLLHPYSA-N 0 0 456.464 4.586 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@@H](O)CC[C@@H](C)CC)c2)c1C(F)(F)F ZINC001464086777 1068610459 /nfs/dbraw/zinc/61/04/59/1068610459.db2.gz DTRHLIUOVUQAKY-YOEHRIQHSA-N 0 0 455.477 4.584 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1)C(=O)OC(C)(C)C ZINC001464088936 1068610907 /nfs/dbraw/zinc/61/09/07/1068610907.db2.gz QJOQJPZYIYVTMR-UHFFFAOYSA-N 0 0 453.583 4.528 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001464090971 1068611570 /nfs/dbraw/zinc/61/15/70/1068611570.db2.gz OZDKIAISJLZVPI-IBGZPJMESA-N 0 0 457.926 4.559 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC001464092559 1068612105 /nfs/dbraw/zinc/61/21/05/1068612105.db2.gz QUFRFAGOFQUDEB-LUIWMBBWSA-N 0 0 458.443 4.706 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)Cc1ccccc1Br ZINC001464093365 1068612149 /nfs/dbraw/zinc/61/21/49/1068612149.db2.gz XBTZGIMGLROGNJ-GOSISDBHSA-N 0 0 458.805 4.784 20 0 JJADRN COc1cc([C@@H](C)NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C ZINC001464097252 1068613952 /nfs/dbraw/zinc/61/39/52/1068613952.db2.gz XIAJJWZPYHOQLC-MRXNPFEDSA-N 0 0 455.580 4.632 20 0 JJADRN COc1cc([C@H](C)NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C ZINC001464097245 1068613994 /nfs/dbraw/zinc/61/39/94/1068613994.db2.gz XIAJJWZPYHOQLC-INIZCTEOSA-N 0 0 455.580 4.632 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@](C)(Cc2ccccc2)C(C)C)CC1 ZINC001464101305 1068616166 /nfs/dbraw/zinc/61/61/66/1068616166.db2.gz MRJRJRKMUTZHOL-OZXSUGGESA-N 0 0 457.014 4.603 20 0 JJADRN Cc1c(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cnn1-c1ccc(Cl)cc1 ZINC001464106880 1068617457 /nfs/dbraw/zinc/61/74/57/1068617457.db2.gz AXGUJORKELQVNA-YCRPNKLZSA-N 0 0 466.390 4.638 20 0 JJADRN O=C(Nc1cccc(CN2CCCCC2)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001464108773 1068618199 /nfs/dbraw/zinc/61/81/99/1068618199.db2.gz STVCRQVRKSQQOY-UHFFFAOYSA-N 0 0 458.599 4.927 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC001464110139 1068618247 /nfs/dbraw/zinc/61/82/47/1068618247.db2.gz WMAFZSORNXSKST-MHPIHPPYSA-N 0 0 450.579 4.625 20 0 JJADRN CC(C)Oc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC001464110774 1068618781 /nfs/dbraw/zinc/61/87/81/1068618781.db2.gz AQTHRXYOTNKGIZ-SNVBAGLBSA-N 0 0 452.292 4.693 20 0 JJADRN COc1ccc(NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccnc1 ZINC001464113384 1068619435 /nfs/dbraw/zinc/61/94/35/1068619435.db2.gz BRUIUUGMBVYKHD-RUZDIDTESA-N 0 0 455.555 4.645 20 0 JJADRN O=C(c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464114224 1068619443 /nfs/dbraw/zinc/61/94/43/1068619443.db2.gz FKAHFSNYHRRWSD-UHFFFAOYSA-N 0 0 459.512 4.684 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC001464116526 1068620596 /nfs/dbraw/zinc/62/05/96/1068620596.db2.gz OJZVNBMDVOIHFM-UHFFFAOYSA-N 0 0 459.502 4.508 20 0 JJADRN NC(=O)[C@@H]1CCCCN1C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC001464120280 1068621799 /nfs/dbraw/zinc/62/17/99/1068621799.db2.gz GNDLSZKUDDSISP-VWLOTQADSA-N 0 0 458.627 4.968 20 0 JJADRN C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464120634 1068621807 /nfs/dbraw/zinc/62/18/07/1068621807.db2.gz DSVGACWTIFATIY-NFBKMPQASA-N 0 0 452.595 4.753 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)Oc1cc(Cl)cc(Br)c1 ZINC001464120575 1068621847 /nfs/dbraw/zinc/62/18/47/1068621847.db2.gz SEMJXXVUAALRBQ-UHFFFAOYSA-N 0 0 456.539 4.641 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC001464121228 1068622436 /nfs/dbraw/zinc/62/24/36/1068622436.db2.gz FYSRJHSFVKVUAU-UHFFFAOYSA-N 0 0 450.366 4.900 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001464124486 1068623628 /nfs/dbraw/zinc/62/36/28/1068623628.db2.gz RLTSIAJVBMRNNT-QJOMJCCJSA-N 0 0 456.533 4.934 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCOCC1 ZINC001546144154 1068624373 /nfs/dbraw/zinc/62/43/73/1068624373.db2.gz FAARWPKMJNCBNY-NRFANRHFSA-N 0 0 486.636 4.613 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC001464126853 1068624978 /nfs/dbraw/zinc/62/49/78/1068624978.db2.gz AQOKOYQRGNZMAC-QKLQHJQFSA-N 0 0 468.013 4.816 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCCNC(=O)c2ccccc2Cl)cs1 ZINC001464128138 1068625455 /nfs/dbraw/zinc/62/54/55/1068625455.db2.gz DZOMUJRITWWUQK-UHFFFAOYSA-N 0 0 459.974 4.735 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001464128230 1068625918 /nfs/dbraw/zinc/62/59/18/1068625918.db2.gz JVOFSWYXOYRCLV-SPLOXXLWSA-N 0 0 455.393 4.672 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)cc1Br ZINC001464129187 1068626504 /nfs/dbraw/zinc/62/65/04/1068626504.db2.gz NTTTURNVXIHDKK-XFBWCDHKSA-N 0 0 451.327 4.734 20 0 JJADRN COc1cc(Br)cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC001464129321 1068626582 /nfs/dbraw/zinc/62/65/82/1068626582.db2.gz IMCKDTDREAYYME-SFHVURJKSA-N 0 0 455.755 4.817 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CCC1 ZINC001464129316 1068626612 /nfs/dbraw/zinc/62/66/12/1068626612.db2.gz IKNPSLLPDDDXMU-GOSISDBHSA-N 0 0 453.986 4.522 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)[nH]n2)cc1C ZINC001464130610 1068627135 /nfs/dbraw/zinc/62/71/35/1068627135.db2.gz RLXOXXRPPLXIKH-UHFFFAOYSA-N 0 0 457.361 4.599 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001464132324 1068628465 /nfs/dbraw/zinc/62/84/65/1068628465.db2.gz TWQDJBDPLBCHAB-MOPGFXCFSA-N 0 0 456.002 4.672 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(Br)cc3O)cn2c1 ZINC001464135715 1068629226 /nfs/dbraw/zinc/62/92/26/1068629226.db2.gz JFKFERNHLLNBDZ-UHFFFAOYSA-N 0 0 452.308 4.942 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1ccc(-c2ccccc2)s1 ZINC001464135119 1068629347 /nfs/dbraw/zinc/62/93/47/1068629347.db2.gz JYBHBGDWYYMBAO-UHFFFAOYSA-N 0 0 455.479 4.699 20 0 JJADRN O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CC[C@@H]1c1ccc(Br)cc1 ZINC001464139300 1068631043 /nfs/dbraw/zinc/63/10/43/1068631043.db2.gz SEHLDNQLHSNWMD-MRXNPFEDSA-N 0 0 455.736 4.926 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]2c2ccc(Br)cc2)s1 ZINC001464139336 1068631213 /nfs/dbraw/zinc/63/12/13/1068631213.db2.gz SOFMCNRVNPMFKA-ZDUSSCGKSA-N 0 0 451.205 4.717 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1ccc2cccnc2c1Br ZINC001464148772 1068633845 /nfs/dbraw/zinc/63/38/45/1068633845.db2.gz TVJQQCVFGLGNRZ-UHFFFAOYSA-N 0 0 457.349 4.984 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c2ccc(Br)cc2O1 ZINC001464149879 1068634515 /nfs/dbraw/zinc/63/45/15/1068634515.db2.gz DSLYZPWVYCEVOS-QMMMGPOBSA-N 0 0 455.132 4.871 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001464153602 1068635131 /nfs/dbraw/zinc/63/51/31/1068635131.db2.gz ATQYWWBOAVPYNJ-QHCPKHFHSA-N 0 0 452.530 4.745 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001464156227 1068636163 /nfs/dbraw/zinc/63/61/63/1068636163.db2.gz ADKCKIAWYJVAGG-UHFFFAOYSA-N 0 0 452.923 4.579 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160011 1068637514 /nfs/dbraw/zinc/63/75/14/1068637514.db2.gz ONPSMEFPDWANTN-CPJSRVTESA-N 0 0 457.578 4.958 20 0 JJADRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC001464158188 1068637559 /nfs/dbraw/zinc/63/75/59/1068637559.db2.gz SPBKLLITTLWBFO-QGZVFWFLSA-N 0 0 454.571 4.955 20 0 JJADRN Cc1ccc(CC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Br ZINC001464159932 1068637570 /nfs/dbraw/zinc/63/75/70/1068637570.db2.gz NEGBZPSPBVRGMP-UHFFFAOYSA-N 0 0 459.365 4.740 20 0 JJADRN O=C(NCCc1ccc(N2CCCCC2)cc1)c1nn(-c2ccccc2)cc1Br ZINC001464161522 1068638306 /nfs/dbraw/zinc/63/83/06/1068638306.db2.gz FSYLTIXGKGYKCW-UHFFFAOYSA-N 0 0 453.384 4.598 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C ZINC001464160865 1068638349 /nfs/dbraw/zinc/63/83/49/1068638349.db2.gz QESWEHVJNAUJFV-GOSISDBHSA-N 0 0 455.603 4.954 20 0 JJADRN O=S(=O)(NCc1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC001464164573 1068639674 /nfs/dbraw/zinc/63/96/74/1068639674.db2.gz GNPHUSBVDUEDQY-UHFFFAOYSA-N 0 0 453.894 4.999 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)[C@@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC001464164193 1068639687 /nfs/dbraw/zinc/63/96/87/1068639687.db2.gz GFPWWMPEGLFPNC-PMACEKPBSA-N 0 0 451.013 4.808 20 0 JJADRN C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464165501 1068640466 /nfs/dbraw/zinc/64/04/66/1068640466.db2.gz UDGXVPPGVSJQIP-OAHLLOKOSA-N 0 0 452.523 4.832 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccc(C)cc2)c1 ZINC001464170455 1068641654 /nfs/dbraw/zinc/64/16/54/1068641654.db2.gz FUDOXTNEPXMEHV-OAQYLSRUSA-N 0 0 455.498 4.586 20 0 JJADRN COc1ccc(C2(C(=O)NCCCNc3ccc(C(F)(F)F)cn3)CCCC2)cc1OC ZINC001464167691 1068641686 /nfs/dbraw/zinc/64/16/86/1068641686.db2.gz PBAIWFSFKWGZFY-UHFFFAOYSA-N 0 0 451.489 4.548 20 0 JJADRN CC1(C)[C@H](CS(=O)(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)C1(F)F ZINC001464170648 1068642260 /nfs/dbraw/zinc/64/22/60/1068642260.db2.gz BXGXYDPLCRUSJB-HNNXBMFYSA-N 0 0 450.429 4.603 20 0 JJADRN C[S@@](=O)(=NS(=O)(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC001464171190 1068642269 /nfs/dbraw/zinc/64/22/69/1068642269.db2.gz DSBCLSOKYYPFRW-LJAQVGFWSA-N 0 0 459.618 4.633 20 0 JJADRN 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ZINC001464180886 1068645819 /nfs/dbraw/zinc/64/58/19/1068645819.db2.gz QWWTZMZGFLLTNH-UHFFFAOYSA-N 0 0 458.649 4.820 20 0 JJADRN C[C@@H](NC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1)c1ccc(OCc2cccnc2)cc1 ZINC001464183617 1068646057 /nfs/dbraw/zinc/64/60/57/1068646057.db2.gz WCYCVNKEZXDLFX-MRXNPFEDSA-N 0 0 451.473 4.535 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N[C@H](c1ccccc1)C1CCCCC1 ZINC001464183002 1068646132 /nfs/dbraw/zinc/64/61/32/1068646132.db2.gz ZDNQCQROWGVQNT-AREMUKBSSA-N 0 0 454.636 4.672 20 0 JJADRN COCCc1ccc(OS(=O)(=O)Cc2cc(Cl)ccc2Br)c(Cl)c1 ZINC001464184266 1068646939 /nfs/dbraw/zinc/64/69/39/1068646939.db2.gz GCLVBRWRSKPKQK-UHFFFAOYSA-N 0 0 454.169 4.854 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(OC(F)(F)Cl)cc1 ZINC001464184189 1068647031 /nfs/dbraw/zinc/64/70/31/1068647031.db2.gz WZHYHOWSABDFLM-UHFFFAOYSA-N 0 0 452.866 4.908 20 0 JJADRN O=S(=O)(N[C@@H]1CCCc2ccc(Cl)cc21)[C@H]1CCc2cc(Br)ccc2C1 ZINC001464186211 1068647457 /nfs/dbraw/zinc/64/74/57/1068647457.db2.gz 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JJADRN CC[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc2c(c1)OCCO2 ZINC001464361344 1068719577 /nfs/dbraw/zinc/71/95/77/1068719577.db2.gz OHSCIZAZHFCLOU-SFTDATJTSA-N 0 0 452.551 4.560 20 0 JJADRN Cc1cc(CN(C)C(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@H]2C)cc(C)c1OCC(F)(F)F ZINC001464361879 1068719591 /nfs/dbraw/zinc/71/95/91/1068719591.db2.gz WBCUTQLLZYUHQX-ZIFCJYIRSA-N 0 0 452.521 4.871 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N(CC)Cc2ccc(Cl)c(Cl)c2)cc1OCC ZINC001464361581 1068719605 /nfs/dbraw/zinc/71/96/05/1068719605.db2.gz SYNKDBFFVFBVII-UHFFFAOYSA-N 0 0 453.366 4.569 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001464363797 1068720116 /nfs/dbraw/zinc/72/01/16/1068720116.db2.gz TZLMONJLKHQXBM-UHFFFAOYSA-N 0 0 455.440 4.790 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001464367616 1068720642 /nfs/dbraw/zinc/72/06/42/1068720642.db2.gz LAFDMKOIJTUQJA-OAHLLOKOSA-N 0 0 454.589 4.632 20 0 JJADRN CCOC(=O)c1cccc(N(CC)C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001464365817 1068720693 /nfs/dbraw/zinc/72/06/93/1068720693.db2.gz TVUJGXAJHKVYRH-UHFFFAOYSA-N 0 0 452.551 4.823 20 0 JJADRN Cc1cccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)c1 ZINC001464369117 1068721156 /nfs/dbraw/zinc/72/11/56/1068721156.db2.gz CFRFIXZIICEILH-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)C(=O)c1ccccc1 ZINC001464373531 1068721653 /nfs/dbraw/zinc/72/16/53/1068721653.db2.gz ZHEQBXOHYLNQNL-AWEZNQCLSA-N 0 0 451.169 4.696 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 ZINC001464374022 1068722162 /nfs/dbraw/zinc/72/21/62/1068722162.db2.gz CRBGMOYOPBHCFN-XLIONFOSSA-N 0 0 458.628 4.888 20 0 JJADRN O=C(c1cccn2c(I)cnc12)N(Cc1ccccc1)c1ccccc1 ZINC001464373768 1068722623 /nfs/dbraw/zinc/72/26/23/1068722623.db2.gz WGJDUFHTUGVEQU-UHFFFAOYSA-N 0 0 453.283 4.786 20 0 JJADRN COc1cccc(Nc2ccccc2C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC001464374409 1068723159 /nfs/dbraw/zinc/72/31/59/1068723159.db2.gz DJKAQJWRPSULGK-IAGOWNOFSA-N 0 0 452.580 4.757 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC001464378972 1068724083 /nfs/dbraw/zinc/72/40/83/1068724083.db2.gz SIJFKEQIAACJDV-KKSFZXQISA-N 0 0 454.571 4.585 20 0 JJADRN C[C@@H]1CCCN(Cc2csc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378261 1068724723 /nfs/dbraw/zinc/72/47/23/1068724723.db2.gz IOCPQDCDQDSITN-CJNGLKHVSA-N 0 0 450.402 4.642 20 0 JJADRN Cc1cccc(OC[C@H](C)NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001464380635 1068725129 /nfs/dbraw/zinc/72/51/29/1068725129.db2.gz ZKHBWPCBNBHGHR-VQTJNVASSA-N 0 0 458.558 4.806 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3ccccc3OCC(F)(F)F)cc21 ZINC001464382068 1068725720 /nfs/dbraw/zinc/72/57/20/1068725720.db2.gz VHANTOZAUZLLBG-UHFFFAOYSA-N 0 0 450.457 4.855 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc(Cl)n1 ZINC001464381253 1068725754 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IMLHISXMEDOTGY-UHFFFAOYSA-N 0 0 455.230 4.531 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001464390638 1068728785 /nfs/dbraw/zinc/72/87/85/1068728785.db2.gz IFKUGONTYPWLDW-OALUTQOASA-N 0 0 470.816 4.714 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001464392335 1068729235 /nfs/dbraw/zinc/72/92/35/1068729235.db2.gz QYXDGZUFCVKDEG-HNNXBMFYSA-N 0 0 456.377 4.862 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(NCCc2ccccn2)cc1 ZINC001464396929 1068730767 /nfs/dbraw/zinc/73/07/67/1068730767.db2.gz QUDCKWTWHWRNIA-UHFFFAOYSA-N 0 0 458.949 4.852 20 0 JJADRN CC(C)c1nc(-c2ccccc2NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n[nH]1 ZINC001464397011 1068730783 /nfs/dbraw/zinc/73/07/83/1068730783.db2.gz FMODANADPIEONP-UHFFFAOYSA-N 0 0 451.328 4.796 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccc(F)c2cccnc12 ZINC001464397738 1068731467 /nfs/dbraw/zinc/73/14/67/1068731467.db2.gz DXXXSJZAZKNPPA-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@@H]3CCc4cc(Br)ccc43)ccc2nc1Cl ZINC001464398039 1068731538 /nfs/dbraw/zinc/73/15/38/1068731538.db2.gz IOWPDCPLSJQADT-GOSISDBHSA-N 0 0 451.773 4.925 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001464398884 1068731881 /nfs/dbraw/zinc/73/18/81/1068731881.db2.gz XOBXYAUFDQBPGB-HMEHFPCLSA-N 0 0 471.985 4.548 20 0 JJADRN Cc1cccc(C(=O)NCCNC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)c1 ZINC001464400961 1068733129 /nfs/dbraw/zinc/73/31/29/1068733129.db2.gz XZEPHMRCZJVQGA-UHFFFAOYSA-N 0 0 453.564 4.717 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001464401374 1068733752 /nfs/dbraw/zinc/73/37/52/1068733752.db2.gz HJYMZOYHNMUVEF-CYBMUJFWSA-N 0 0 455.321 4.591 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)NCC3(c4cccc(Br)c4)CCC3)cc2)C[C@H](C)O1 ZINC001464402473 1068733764 /nfs/dbraw/zinc/73/37/64/1068733764.db2.gz RDIWOMRMHSOSSP-HDICACEKSA-N 0 0 457.412 4.914 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001464405634 1068735155 /nfs/dbraw/zinc/73/51/55/1068735155.db2.gz NBHWYBJKUMNRTL-WZONZLPQSA-N 0 0 457.590 4.675 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC001464406029 1068735164 /nfs/dbraw/zinc/73/51/64/1068735164.db2.gz CLWKTHLTWZEKKU-UHFFFAOYSA-N 0 0 452.580 4.701 20 0 JJADRN C[C@H]1CN(Cc2cccc(CNC(=O)c3cc4cc(Br)ccc4s3)c2)CCO1 ZINC001464415254 1068738094 /nfs/dbraw/zinc/73/80/94/1068738094.db2.gz ALCDEFMIDNTGEC-HNNXBMFYSA-N 0 0 459.409 4.815 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1-c1ccccc1 ZINC001464414249 1068738229 /nfs/dbraw/zinc/73/82/29/1068738229.db2.gz FGUPGUNWXGBOIS-OAQYLSRUSA-N 0 0 453.336 4.739 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(CC)s3)ccc2C)cc1 ZINC001464419532 1068739203 /nfs/dbraw/zinc/73/92/03/1068739203.db2.gz PXKJFYTWHJZRGX-UHFFFAOYSA-N 0 0 458.609 4.805 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001464419496 1068739262 /nfs/dbraw/zinc/73/92/62/1068739262.db2.gz NWMWTJNKTZAMDG-IBGZPJMESA-N 0 0 454.311 4.928 20 0 JJADRN C[C@H](C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001464421680 1068739695 /nfs/dbraw/zinc/73/96/95/1068739695.db2.gz VJKYVFRDOLHCOU-UZUQRXQVSA-N 0 0 458.002 4.957 20 0 JJADRN C[C@@H](C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001464421677 1068739748 /nfs/dbraw/zinc/73/97/48/1068739748.db2.gz VJKYVFRDOLHCOU-SBUREZEXSA-N 0 0 458.002 4.957 20 0 JJADRN C[C@@H](C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001464421671 1068739995 /nfs/dbraw/zinc/73/99/95/1068739995.db2.gz VJKYVFRDOLHCOU-GAJHUEQPSA-N 0 0 458.002 4.957 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC001464425887 1068740934 /nfs/dbraw/zinc/74/09/34/1068740934.db2.gz CXTIIXIWACPWBL-MSOLQXFVSA-N 0 0 450.922 4.821 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC001464425007 1068741128 /nfs/dbraw/zinc/74/11/28/1068741128.db2.gz ANVBHTBCSVJNHV-LJQANCHMSA-N 0 0 454.448 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COc1ccc2c(CC(=O)NC[C@@H]3CCN(c4cccc(Br)c4)C3)coc2c1C ZINC001464434517 1068743797 /nfs/dbraw/zinc/74/37/97/1068743797.db2.gz CPDZKWNHETYBAI-INIZCTEOSA-N 0 0 457.368 4.698 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001464433457 1068743814 /nfs/dbraw/zinc/74/38/14/1068743814.db2.gz FFOXKTJUZFNSRF-LBPRGKRZSA-N 0 0 452.292 4.837 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC001464433451 1068743998 /nfs/dbraw/zinc/74/39/98/1068743998.db2.gz FFOXKTJUZFNSRF-GFCCVEGCSA-N 0 0 452.292 4.837 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCSC[C@H]2c2ccccc2OC)c1 ZINC001464434910 1068744507 /nfs/dbraw/zinc/74/45/07/1068744507.db2.gz MYOMSMLZADESQI-SFHVURJKSA-N 0 0 454.013 4.810 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[C@H]1c1cccnc1 ZINC001464435194 1068744551 /nfs/dbraw/zinc/74/45/51/1068744551.db2.gz WWTXHJAAVKJMRW-JTHBVZDNSA-N 0 0 477.952 4.927 20 0 JJADRN Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001464439243 1068746052 /nfs/dbraw/zinc/74/60/52/1068746052.db2.gz IRUBUYBZUBYUCG-UGKGYDQZSA-N 0 0 454.636 4.700 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1Cl ZINC001464439244 1068746145 /nfs/dbraw/zinc/74/61/45/1068746145.db2.gz XKXGELVMBDUREX-CVEARBPZSA-N 0 0 451.792 4.821 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC001464443813 1068747844 /nfs/dbraw/zinc/74/78/44/1068747844.db2.gz MQWLPYZBJGGUKZ-IBGZPJMESA-N 0 0 451.489 4.896 20 0 JJADRN CC[C@@]1(c2ccc(NC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CCC(=O)NC1=O ZINC001464446929 1068748752 /nfs/dbraw/zinc/74/87/52/1068748752.db2.gz KXPQELSKWQXFOE-VWLOTQADSA-N 0 0 451.954 4.798 20 0 JJADRN CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CCc2ccccc2C1 ZINC001464445467 1068749017 /nfs/dbraw/zinc/74/90/17/1068749017.db2.gz WCKMKRXHRNIPMH-XZOQPEGZSA-N 0 0 457.412 4.813 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccnc1SCC1CCCCC1 ZINC001464447992 1068749410 /nfs/dbraw/zinc/74/94/10/1068749410.db2.gz RWMZZILPRFMXOH-QFIPXVFZSA-N 0 0 453.608 4.802 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CC1)c1c2ncsc2ccc1Cl ZINC001464448752 1068749655 /nfs/dbraw/zinc/74/96/55/1068749655.db2.gz CLXGKOSEUYXLLN-UHFFFAOYSA-N 0 0 457.802 4.722 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001464448338 1068749676 /nfs/dbraw/zinc/74/96/76/1068749676.db2.gz XTQHIVVEFPXNRA-FOCLMDBBSA-N 0 0 453.505 4.611 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001464448656 1068750075 /nfs/dbraw/zinc/75/00/75/1068750075.db2.gz FDOPKVYRKPCZGM-IBGZPJMESA-N 0 0 457.983 4.746 20 0 JJADRN Cc1sc(CNC(=O)c2c(Br)nc3n2CCC3)nc1-c1ccc(Cl)cc1 ZINC001464449633 1068750187 /nfs/dbraw/zinc/75/01/87/1068750187.db2.gz HRPUSKDKMRDSCX-UHFFFAOYSA-N 0 0 451.777 4.607 20 0 JJADRN CCS(=O)(=O)NCc1ccc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC001464452199 1068751453 /nfs/dbraw/zinc/75/14/53/1068751453.db2.gz OGRDGHNKCQBHBD-OAHLLOKOSA-N 0 0 454.514 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCCc3cc(OC(F)F)ccc32)COC1(C)C ZINC001464453357 1068751880 /nfs/dbraw/zinc/75/18/80/1068751880.db2.gz YPYBJMFHWWZOHZ-MRXNPFEDSA-N 0 0 454.514 4.719 20 0 JJADRN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001464455169 1068752573 /nfs/dbraw/zinc/75/25/73/1068752573.db2.gz UEOBELZXABDJKY-GCJKJVERSA-N 0 0 451.405 4.833 20 0 JJADRN CCC(C)(C)OCc1cccc(NC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)c1C ZINC001464461540 1068755472 /nfs/dbraw/zinc/75/54/72/1068755472.db2.gz NBRLJSKPIPJMOE-OAQYLSRUSA-N 0 0 458.603 4.980 20 0 JJADRN CC[C@@H](C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N(C)C(=O)OC(C)(C)C ZINC001464463184 1068756062 /nfs/dbraw/zinc/75/60/62/1068756062.db2.gz PSHSKBLNTGPCCT-SFHVURJKSA-N 0 0 458.521 4.515 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)c1 ZINC001464468074 1068757238 /nfs/dbraw/zinc/75/72/38/1068757238.db2.gz UHDRVEPVNQEKGY-UHFFFAOYSA-N 0 0 457.061 4.884 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)n2)cc1 ZINC001464466535 1068757460 /nfs/dbraw/zinc/75/74/60/1068757460.db2.gz NFUYOYRUUURQQG-UHFFFAOYSA-N 0 0 455.440 4.528 20 0 JJADRN CCOc1ccc(S(=O)(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc12 ZINC001464468895 1068757827 /nfs/dbraw/zinc/75/78/27/1068757827.db2.gz VSWDWBHPUDYANT-RCZVLFRGSA-N 0 0 474.623 4.697 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC001464468637 1068757848 /nfs/dbraw/zinc/75/78/48/1068757848.db2.gz HRMOVIFUYUTBIS-YLJYHZDGSA-N 0 0 450.501 4.742 20 0 JJADRN O=C(NCCc1ccccc1C(F)(F)F)c1ccc2[nH]cc(I)c2c1 ZINC001464476819 1068760125 /nfs/dbraw/zinc/76/01/25/1068760125.db2.gz VEISDMWEMXMGCT-UHFFFAOYSA-N 0 0 458.221 4.764 20 0 JJADRN Cc1c(Br)cccc1CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001464478358 1068760718 /nfs/dbraw/zinc/76/07/18/1068760718.db2.gz TWGQHDVLRXSYJU-UHFFFAOYSA-N 0 0 456.711 4.951 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC001464480740 1068761833 /nfs/dbraw/zinc/76/18/33/1068761833.db2.gz XOWORIKMOPYTFI-JRWFPWTFSA-N 0 0 456.505 4.648 20 0 JJADRN O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)ccnc1Br ZINC001464481885 1068761873 /nfs/dbraw/zinc/76/18/73/1068761873.db2.gz CORZMOHWMXHCNK-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001464482150 1068762287 /nfs/dbraw/zinc/76/22/87/1068762287.db2.gz FJDBDEMMTXZSKN-AQOAWAETSA-N 0 0 451.405 4.880 20 0 JJADRN O=C(/C=C/Sc1cc(F)ccc1F)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001464482804 1068762439 /nfs/dbraw/zinc/76/24/39/1068762439.db2.gz IAHPGTXLZVITCO-OVCLIPMQSA-N 0 0 451.970 4.553 20 0 JJADRN O=C(/C=C\Sc1cc(F)ccc1F)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001464482797 1068762547 /nfs/dbraw/zinc/76/25/47/1068762547.db2.gz IAHPGTXLZVITCO-NVNXTCNLSA-N 0 0 451.970 4.553 20 0 JJADRN Cc1c(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cnn1-c1cc(C)ccc1C ZINC001464482190 1068762601 /nfs/dbraw/zinc/76/26/01/1068762601.db2.gz DHJPIBLXNXCYKV-UHFFFAOYSA-N 0 0 453.468 4.932 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001464485569 1068762879 /nfs/dbraw/zinc/76/28/79/1068762879.db2.gz OUCQJFWQYMKWKD-AWEZNQCLSA-N 0 0 456.358 4.913 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cs1 ZINC001464487910 1068763378 /nfs/dbraw/zinc/76/33/78/1068763378.db2.gz RNFMXTKOEVJYEY-UHFFFAOYSA-N 0 0 456.446 4.623 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C(=O)OC)cc1 ZINC001464487753 1068763596 /nfs/dbraw/zinc/76/35/96/1068763596.db2.gz GGMKNBVCPAIPRU-SJLPKXTDSA-N 0 0 451.485 4.746 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC001546147348 1068764027 /nfs/dbraw/zinc/76/40/27/1068764027.db2.gz NPSLQHPEHRILMS-LJQANCHMSA-N 0 0 458.599 4.765 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001464488568 1068764111 /nfs/dbraw/zinc/76/41/11/1068764111.db2.gz WUICZZWOFQVIOP-HZPDHXFCSA-N 0 0 461.347 4.592 20 0 JJADRN CCCCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC001464492704 1068765785 /nfs/dbraw/zinc/76/57/85/1068765785.db2.gz NCEKHVICPQAYBX-UHFFFAOYSA-N 0 0 456.999 4.707 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc(C(C)(C)C)c1O ZINC001464499406 1068766713 /nfs/dbraw/zinc/76/67/13/1068766713.db2.gz IXEWUDKTLBNTGP-UHFFFAOYSA-N 0 0 458.565 4.714 20 0 JJADRN CCCCSc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1C(F)(F)F ZINC001464498659 1068766905 /nfs/dbraw/zinc/76/69/05/1068766905.db2.gz UBXKBOCCPOJAEQ-INIZCTEOSA-N 0 0 456.505 4.811 20 0 JJADRN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@@H](C)O1 ZINC001464503414 1068767540 /nfs/dbraw/zinc/76/75/40/1068767540.db2.gz NRCDCPGKBHEONB-BRWVUGGUSA-N 0 0 452.473 4.559 20 0 JJADRN CCC1CCC(N(C)S(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 ZINC001464506834 1068768282 /nfs/dbraw/zinc/76/82/82/1068768282.db2.gz XDJDLELXXFKQOD-UHFFFAOYSA-N 0 0 457.203 4.940 20 0 JJADRN Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001464510058 1068769369 /nfs/dbraw/zinc/76/93/69/1068769369.db2.gz BLIUKRQIBQJUCH-UHFFFAOYSA-N 0 0 456.905 4.823 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)N(c2ccc(C)cc2)C2CCC2)cc1Br ZINC001464509159 1068769403 /nfs/dbraw/zinc/76/94/03/1068769403.db2.gz RJNSZUMZSWUHIC-UHFFFAOYSA-N 0 0 451.386 4.772 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)Cc1ccccc1 ZINC001464515110 1068770031 /nfs/dbraw/zinc/77/00/31/1068770031.db2.gz IDBYOJAXNBDGCP-HNNXBMFYSA-N 0 0 458.274 4.620 20 0 JJADRN CCOc1ccc2c(c1)CN(C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CC2 ZINC001464512612 1068770073 /nfs/dbraw/zinc/77/00/73/1068770073.db2.gz AXVVKIIPOPCZJL-IEKAHNGHSA-N 0 0 452.982 4.718 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cccc(Br)c2F)CC1 ZINC001464515965 1068770607 /nfs/dbraw/zinc/77/06/07/1068770607.db2.gz SNJOVIUARDZKQB-UHFFFAOYSA-N 0 0 454.727 4.622 20 0 JJADRN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001464522236 1068772201 /nfs/dbraw/zinc/77/22/01/1068772201.db2.gz URIDJTJZZXGJNP-OAHLLOKOSA-N 0 0 455.383 4.713 20 0 JJADRN COc1cc(/C=C(/C(=O)NCC(=O)Nc2ccc(C)cc2Cl)c2ccccc2)ccc1O ZINC001464523441 1068772270 /nfs/dbraw/zinc/77/22/70/1068772270.db2.gz SRGYHRUDEJHWTB-CPNJWEJPSA-N 0 0 450.922 4.658 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N3CCN(Cc4csc(C(C)(C)C)n4)CC3)cc2)n1 ZINC001464523116 1068772319 /nfs/dbraw/zinc/77/23/19/1068772319.db2.gz OPFJWUIDBQZNMC-UHFFFAOYSA-N 0 0 455.653 4.907 20 0 JJADRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC001464524419 1068772739 /nfs/dbraw/zinc/77/27/39/1068772739.db2.gz ZYCOVKFKBZJHMM-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 ZINC001464527589 1068773291 /nfs/dbraw/zinc/77/32/91/1068773291.db2.gz GBIDDIPECYJZAR-FQEVSTJZSA-N 0 0 456.514 4.548 20 0 JJADRN CCCN(C(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)c1ccccc1OC ZINC001464530048 1068773321 /nfs/dbraw/zinc/77/33/21/1068773321.db2.gz XMVUYRYQVUJWON-AVRWGWEMSA-N 0 0 459.587 4.541 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001464527401 1068773349 /nfs/dbraw/zinc/77/33/49/1068773349.db2.gz FNDLOZGIBJCPCU-UHFFFAOYSA-N 0 0 452.643 4.631 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC001464528465 1068773599 /nfs/dbraw/zinc/77/35/99/1068773599.db2.gz KEEUEXQZJDGYDK-UHFFFAOYSA-N 0 0 453.558 4.989 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001464527191 1068773609 /nfs/dbraw/zinc/77/36/09/1068773609.db2.gz DFSVLTOLZLNDMG-UHFFFAOYSA-N 0 0 453.414 4.534 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC001464531499 1068774048 /nfs/dbraw/zinc/77/40/48/1068774048.db2.gz NHNYRRKRERJXPN-ZDUSSCGKSA-N 0 0 451.333 4.788 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001464537347 1068775695 /nfs/dbraw/zinc/77/56/95/1068775695.db2.gz FKDFJIROXILVQT-CYBMUJFWSA-N 0 0 451.304 4.714 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001464536869 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CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1NC(=O)/C=C\c1ccsc1 ZINC001464613033 1068799103 /nfs/dbraw/zinc/79/91/03/1068799103.db2.gz IICTXFRHYWDLDO-RXQFDZFGSA-N 0 0 456.564 4.956 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCCC1 ZINC001546148188 1068799257 /nfs/dbraw/zinc/79/92/57/1068799257.db2.gz IDNQFSMXDKRPSZ-FQEVSTJZSA-N 0 0 455.622 4.672 20 0 JJADRN O=Cc1cnc2c(Br)cc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cn12 ZINC001464612371 1068799284 /nfs/dbraw/zinc/79/92/84/1068799284.db2.gz XOTWOPHQDIZELG-OAHLLOKOSA-N 0 0 450.745 4.530 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001464616109 1068800170 /nfs/dbraw/zinc/80/01/70/1068800170.db2.gz RMGSZVSVLKCQMQ-OAQYLSRUSA-N 0 0 456.336 4.849 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCS[C@H](C(C)C)C2)CCOCC1 ZINC001546148219 1068800335 /nfs/dbraw/zinc/80/03/35/1068800335.db2.gz JEBPJAVHPFLNAM-QFIPXVFZSA-N 0 0 458.672 4.662 20 0 JJADRN C[C@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccc(Br)c1 ZINC001464617503 1068800999 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JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cs1 ZINC001464632159 1068804293 /nfs/dbraw/zinc/80/42/93/1068804293.db2.gz ZZIPMKNVGRFYLU-ZFWWWQNUSA-N 0 0 455.502 4.515 20 0 JJADRN Cc1ccc(C[C@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001464635010 1068805991 /nfs/dbraw/zinc/80/59/91/1068805991.db2.gz ZAOIPFGROJLMIN-RTWAWAEBSA-N 0 0 452.599 4.537 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1NC(=O)Nc1ccccc1 ZINC001464634973 1068806245 /nfs/dbraw/zinc/80/62/45/1068806245.db2.gz FLRLTJYHBZRMSJ-QHCPKHFHSA-N 0 0 456.546 4.674 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC001464635682 1068806409 /nfs/dbraw/zinc/80/64/09/1068806409.db2.gz IHKNDHBFJVSBSJ-UHFFFAOYSA-N 0 0 451.983 4.771 20 0 JJADRN C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)COc1ccccc1 ZINC001464637909 1068806683 /nfs/dbraw/zinc/80/66/83/1068806683.db2.gz ONJVWIWDSRQJEX-UXHICEINSA-N 0 0 458.558 4.745 20 0 JJADRN 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O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645512 719288282 /nfs/dbraw/zinc/28/82/82/719288282.db2.gz JPYKFPPQDZIIKZ-JQFCIGGWSA-N 0 0 496.967 4.542 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164649476 719290832 /nfs/dbraw/zinc/29/08/32/719290832.db2.gz WWVNSQLTUUPMDE-APHBMKBZSA-N 0 0 470.929 4.672 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645180 719293146 /nfs/dbraw/zinc/29/31/46/719293146.db2.gz DEINWVQLCWEQCC-OTWHNJEPSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164647355 719294530 /nfs/dbraw/zinc/29/45/30/719294530.db2.gz DUHFUQWZRYHJRU-OAGGEKHMSA-N 0 0 464.727 4.935 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656150 719295515 /nfs/dbraw/zinc/29/55/15/719295515.db2.gz WLQHDVAXEUSNCZ-FKBYEOEOSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164651819 719296050 /nfs/dbraw/zinc/29/60/50/719296050.db2.gz MNPSLOSVUPGZMR-TYPHKJRUSA-N 0 0 461.896 4.888 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164655383 719300322 /nfs/dbraw/zinc/30/03/22/719300322.db2.gz TUAWRWCEGWANOU-YSIASYRMSA-N 0 0 494.665 4.604 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164655382 719300548 /nfs/dbraw/zinc/30/05/48/719300548.db2.gz TUAWRWCEGWANOU-IHPCNDPISA-N 0 0 494.665 4.604 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164655381 719300601 /nfs/dbraw/zinc/30/06/01/719300601.db2.gz TUAWRWCEGWANOU-HOJAQTOUSA-N 0 0 494.665 4.604 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(-c5cccc(F)c5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164646322 719301480 /nfs/dbraw/zinc/30/14/80/719301480.db2.gz AGWHOEASKGOBGT-KKXDTOCCSA-N 0 0 465.863 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164646308 719301881 /nfs/dbraw/zinc/30/18/81/719301881.db2.gz ADRBZTGFVKKOAZ-KKXDTOCCSA-N 0 0 465.863 4.529 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164647491 719309455 /nfs/dbraw/zinc/30/94/55/719309455.db2.gz MSQHXKQQFHYQFN-UHFFFAOYSA-N 0 0 460.960 4.744 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c2c1C ZINC001164653609 719315004 /nfs/dbraw/zinc/31/50/04/719315004.db2.gz XSTAWJBSGWJEET-UHFFFAOYSA-N 0 0 481.714 4.696 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC2 ZINC001164649268 719316818 /nfs/dbraw/zinc/31/68/18/719316818.db2.gz BIXJVJBORXOMLF-UHFFFAOYSA-N 0 0 463.388 4.991 20 0 JJADRN CCc1ccc(Oc2nc(Cl)ncc2N2CCc3c(CN(C)C)nn(C(C)C)c3C2)cc1 ZINC001164654918 719317351 /nfs/dbraw/zinc/31/73/51/719317351.db2.gz SUKKJNNDFGFDGJ-UHFFFAOYSA-N 0 0 455.006 4.886 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164653284 719323125 /nfs/dbraw/zinc/32/31/25/719323125.db2.gz LNKFJWLMOQAPTN-UHFFFAOYSA-N 0 0 496.949 4.971 20 0 JJADRN FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164654863 719327835 /nfs/dbraw/zinc/32/78/35/719327835.db2.gz NHFXHWQXYXNHEW-UHFFFAOYSA-N 0 0 498.921 4.803 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164652718 719328142 /nfs/dbraw/zinc/32/81/42/719328142.db2.gz FAOPNCLIIKMIKH-UHFFFAOYSA-N 0 0 472.883 4.516 20 0 JJADRN Clc1nc2c(c(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)n1)CN(Cc1ccccc1)CC2 ZINC001164663595 719342381 /nfs/dbraw/zinc/34/23/81/719342381.db2.gz YQTZZNBXBVUDCO-DSITVLBTSA-N 0 0 483.056 4.631 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164659208 719344205 /nfs/dbraw/zinc/34/42/05/719344205.db2.gz AOPWIMQXJXMMIZ-LQWHRVPQSA-N 0 0 464.944 4.680 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164663903 719346783 /nfs/dbraw/zinc/34/67/83/719346783.db2.gz ONWMGQLSFHGYOF-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164664125 719347471 /nfs/dbraw/zinc/34/74/71/719347471.db2.gz RUPYMHUNZSDFGX-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164658446 719350943 /nfs/dbraw/zinc/35/09/43/719350943.db2.gz HBXUUCUQWAEWRF-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164660485 719352057 /nfs/dbraw/zinc/35/20/57/719352057.db2.gz UFECSWFMADCRRF-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164658974 719352128 /nfs/dbraw/zinc/35/21/28/719352128.db2.gz NZNYNIKWHIGKHS-UHFFFAOYSA-N 0 0 491.011 4.658 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164658909 719353862 /nfs/dbraw/zinc/35/38/62/719353862.db2.gz LSMDQAXXYIKEOY-UHFFFAOYSA-N 0 0 470.646 4.875 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164660613 719354815 /nfs/dbraw/zinc/35/48/15/719354815.db2.gz WALOWHAUFKXZNH-UHFFFAOYSA-N 0 0 479.632 4.850 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164658037 719354900 /nfs/dbraw/zinc/35/49/00/719354900.db2.gz BTBWZRLNEURHQB-UHFFFAOYSA-N 0 0 468.580 4.977 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001164664244 719359808 /nfs/dbraw/zinc/35/98/08/719359808.db2.gz NBDPDYXXLHKCCA-UHFFFAOYSA-N 0 0 464.969 4.977 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164663265 719363149 /nfs/dbraw/zinc/36/31/49/719363149.db2.gz IJAZDIIZQAUCKG-ZDUSSCGKSA-N 0 0 453.946 4.636 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)cc1 ZINC001164673132 719503699 /nfs/dbraw/zinc/50/36/99/719503699.db2.gz OFDVWAYJBDLWLP-UHFFFAOYSA-N 0 0 476.930 4.839 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc4ncnc(Cl)c4c2)CC3)cc1 ZINC001164673843 719504801 /nfs/dbraw/zinc/50/48/01/719504801.db2.gz SGUYCTVIXMZOHY-UHFFFAOYSA-N 0 0 476.930 4.839 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(Cl)nc(Cc4ccccc4)n2)CC3)cc1 ZINC001164671250 719505184 /nfs/dbraw/zinc/50/51/84/719505184.db2.gz DCZCYTYAPSFMBT-UHFFFAOYSA-N 0 0 466.988 4.731 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)cc1 ZINC001164673994 719523027 /nfs/dbraw/zinc/52/30/27/719523027.db2.gz XOTWIDQYLIIDRH-UHFFFAOYSA-N 0 0 476.930 4.839 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cncc(OCc4cccc(Cl)c4)n2)CC3)cc1 ZINC001164678157 719530294 /nfs/dbraw/zinc/53/02/94/719530294.db2.gz JLFLJDFEAMSDRV-UHFFFAOYSA-N 0 0 482.987 4.720 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1)N1CCCC1 ZINC001164677365 719544942 /nfs/dbraw/zinc/54/49/42/719544942.db2.gz DDTGRXDAVWOVGY-NQERJWCQSA-N 0 0 479.930 4.692 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C1)N1CCCC1 ZINC001164678086 719547345 /nfs/dbraw/zinc/54/73/45/719547345.db2.gz IUFHIHAVJYXIFB-QMMLZNLJSA-N 0 0 467.988 4.934 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)cnc2Cl)c1 ZINC001164679183 719547987 /nfs/dbraw/zinc/54/79/87/719547987.db2.gz UWTSQDCPDZIPAF-WTNAPCKOSA-N 0 0 491.966 4.562 20 0 JJADRN O=C([C@H]1CN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC12CCOCC2)N1CC=CC1 ZINC001164677629 719558587 /nfs/dbraw/zinc/55/85/87/719558587.db2.gz PRXMCALJYBCPMM-QGZVFWFLSA-N 0 0 482.358 4.718 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)cs1 ZINC001164682085 719594037 /nfs/dbraw/zinc/59/40/37/719594037.db2.gz ASAMYNSYLQRCAN-UHFFFAOYSA-N 0 0 477.968 4.755 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cc(Cl)nc4c2CCC4)CC3)cs1 ZINC001164685708 719594709 /nfs/dbraw/zinc/59/47/09/719594709.db2.gz MBQPHBUOUTXSPU-UHFFFAOYSA-N 0 0 466.985 4.695 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C[C@H]2COc1cccnc1 ZINC001164683660 719597651 /nfs/dbraw/zinc/59/76/51/719597651.db2.gz HIOJRWMHGSLNRL-KRWDZBQOSA-N 0 0 482.922 4.653 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)N1Cc1cccnc1 ZINC001164692579 719766209 /nfs/dbraw/zinc/76/62/09/719766209.db2.gz VHEBDOJCQTUYLY-RBUKOAKNSA-N 0 0 463.315 4.861 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)CC2 ZINC001164697071 719788377 /nfs/dbraw/zinc/78/83/77/719788377.db2.gz YEXLZPCYJRTBCU-UHFFFAOYSA-N 0 0 490.938 4.890 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(C(=O)N(C)C(C)C)c4C3)c(Cl)nn2)c1 ZINC001164697044 719789317 /nfs/dbraw/zinc/78/93/17/719789317.db2.gz XSJFFJMGNIAYMH-UHFFFAOYSA-N 0 0 475.927 4.681 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164693645 719792290 /nfs/dbraw/zinc/79/22/90/719792290.db2.gz CGNMMDXBYRRSTD-UHFFFAOYSA-N 0 0 451.930 4.586 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164691147 719804549 /nfs/dbraw/zinc/80/45/49/719804549.db2.gz DWZDNZZRMGNRSN-UHFFFAOYSA-N 0 0 460.019 4.797 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CC3)cs1 ZINC001164700222 719817163 /nfs/dbraw/zinc/81/71/63/719817163.db2.gz JXGHVDOPWLKDFF-UHFFFAOYSA-N 0 0 485.029 4.771 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc(-c4cc(Cl)ncn4)cc2)CC3)cn1 ZINC001164698864 719825548 /nfs/dbraw/zinc/82/55/48/719825548.db2.gz VOAUBVUZGYHRRE-KRWDZBQOSA-N 0 0 459.928 4.619 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)Oc2ccc4nc(Cl)c(Cl)nc4c2)CC3)cn1 ZINC001164695120 719825842 /nfs/dbraw/zinc/82/58/42/719825842.db2.gz BQVVMJMAIUMRNM-CYBMUJFWSA-N 0 0 484.334 4.638 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC3)cn1 ZINC001164698107 719826342 /nfs/dbraw/zinc/82/63/42/719826342.db2.gz QNPKTCSBANJTCI-LLVKDONJSA-N 0 0 451.732 4.863 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)n1 ZINC001164700052 719826596 /nfs/dbraw/zinc/82/65/96/719826596.db2.gz ZVDCFKXBDBGQFA-FQEVSTJZSA-N 0 0 488.661 4.697 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC3)cn1 ZINC001164696904 719826633 /nfs/dbraw/zinc/82/66/33/719826633.db2.gz LXTPYJGNSIHQGX-LBPRGKRZSA-N 0 0 450.839 4.575 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC3)cn1 ZINC001164696902 719826806 /nfs/dbraw/zinc/82/68/06/719826806.db2.gz LXTPYJGNSIHQGX-GFCCVEGCSA-N 0 0 450.839 4.575 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cccc(-c4ccc(Cl)nn4)c2)CC3)cn1 ZINC001164696385 719826816 /nfs/dbraw/zinc/82/68/16/719826816.db2.gz IVTSWLRAIZICSO-QGZVFWFLSA-N 0 0 459.928 4.619 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)cc1 ZINC001164695881 719830018 /nfs/dbraw/zinc/83/00/18/719830018.db2.gz GHTWIJIAKOONNP-UHFFFAOYSA-N 0 0 492.357 4.838 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)cc1 ZINC001164699605 719830021 /nfs/dbraw/zinc/83/00/21/719830021.db2.gz XYKSXLLJAOROFW-UHFFFAOYSA-N 0 0 492.357 4.838 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC2)cc1 ZINC001164696844 719830389 /nfs/dbraw/zinc/83/03/89/719830389.db2.gz LBDHUFGGNBRQIO-UHFFFAOYSA-N 0 0 497.977 4.673 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC2)CN1c1ccccc1 ZINC001164695785 719836813 /nfs/dbraw/zinc/83/68/13/719836813.db2.gz OTHJVEBIJZXWOV-UHFFFAOYSA-N 0 0 490.963 4.806 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cnc1Cl ZINC001164808299 720051156 /nfs/dbraw/zinc/05/11/56/720051156.db2.gz XPZLFZNRTBNWRZ-FDDCHVKYSA-N 0 0 492.929 4.737 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)cnc2Cl)cc1 ZINC001164808710 720052156 /nfs/dbraw/zinc/05/21/56/720052156.db2.gz YMFFVGZHJLNPBW-REWPJTCUSA-N 0 0 492.929 4.737 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)[C@H]2CCCO[C@@H]12 ZINC001164709902 720060862 /nfs/dbraw/zinc/06/08/62/720060862.db2.gz BXDSTYRXQIKMPY-QKNQBKEWSA-N 0 0 462.928 4.606 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164715789 720061158 /nfs/dbraw/zinc/06/11/58/720061158.db2.gz ULEZELFSSLKXBD-ZNMIVQPWSA-N 0 0 452.716 4.908 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)[C@H]2CCCO[C@@H]12 ZINC001164711673 720062591 /nfs/dbraw/zinc/06/25/91/720062591.db2.gz JCAGBAQMARFNFK-WAOWUJCRSA-N 0 0 466.912 4.506 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4c3cnn(C)c3)c(Cl)nn2)cc1 ZINC001164709777 720077387 /nfs/dbraw/zinc/07/73/87/720077387.db2.gz FPKOHQGUHZPKLG-LEWJYISDSA-N 0 0 486.954 4.583 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)cs1 ZINC001164815677 720258388 /nfs/dbraw/zinc/25/83/88/720258388.db2.gz DGVXQQZZBIYEBY-VQTJNVASSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)cs1 ZINC001164817377 720259084 /nfs/dbraw/zinc/25/90/84/720259084.db2.gz QTJGKDZDUYBPGA-MOPGFXCFSA-N 0 0 462.953 4.968 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731040 720368178 /nfs/dbraw/zinc/36/81/78/720368178.db2.gz YISFAQBMZJHLSV-QZTJIDSGSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164826779 720386643 /nfs/dbraw/zinc/38/66/43/720386643.db2.gz XPFHWRFJGQYJFQ-VBQJREDUSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164824341 720387130 /nfs/dbraw/zinc/38/71/30/720387130.db2.gz QZQKCMCMKHUMCE-BFYDXBDKSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820398 720387395 /nfs/dbraw/zinc/38/73/95/720387395.db2.gz AOHLCBQPECFMPF-BZUAXINKSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822919 720387807 /nfs/dbraw/zinc/38/78/07/720387807.db2.gz NBSSRTQHOVNGRH-KZNAEPCWSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164826965 720388155 /nfs/dbraw/zinc/38/81/55/720388155.db2.gz ZDRWHUKMXKANPX-QRVBRYPASA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820381 720389006 /nfs/dbraw/zinc/38/90/06/720389006.db2.gz ADBNKXKOCFKTIK-SQWLQELKSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164824423 720393546 /nfs/dbraw/zinc/39/35/46/720393546.db2.gz RNEMVZDPKNGFGT-OTWHNJEPSA-N 0 0 455.958 4.875 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821060 720395641 /nfs/dbraw/zinc/39/56/41/720395641.db2.gz DMSQEUSPMCZRRR-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)c1 ZINC001164823744 720395780 /nfs/dbraw/zinc/39/57/80/720395780.db2.gz QDMDHYGZHPLAPX-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)O2)n1 ZINC001164831676 720405630 /nfs/dbraw/zinc/40/56/30/720405630.db2.gz XNJQAZGEQUYLSW-ILXRZTDVSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)O2)n1 ZINC001164832065 720411508 /nfs/dbraw/zinc/41/15/08/720411508.db2.gz YVWXHDUWNJFSNP-BZSNNMDCSA-N 0 0 465.863 4.671 20 0 JJADRN Cc1noc([C@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)O2)n1 ZINC001164829637 720411666 /nfs/dbraw/zinc/41/16/66/720411666.db2.gz NWVIZJFLHNGFGT-CEXWTWQISA-N 0 0 461.900 4.841 20 0 JJADRN Cc1noc([C@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)O2)n1 ZINC001164829647 720411671 /nfs/dbraw/zinc/41/16/71/720411671.db2.gz NWVIZJFLHNGFGT-GBESFXJTSA-N 0 0 461.900 4.841 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)O2)n1 ZINC001164832066 720411694 /nfs/dbraw/zinc/41/16/94/720411694.db2.gz YVWXHDUWNJFSNP-KSZLIROESA-N 0 0 465.863 4.671 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164735963 720422044 /nfs/dbraw/zinc/42/20/44/720422044.db2.gz ZZEKWYWRSCXFPW-FCHUYYIVSA-N 0 0 498.961 4.982 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]21 ZINC001164824221 720423417 /nfs/dbraw/zinc/42/34/17/720423417.db2.gz JZRKQRCBUHTLMI-WWMYMODYSA-N 0 0 481.946 4.700 20 0 JJADRN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731793 720480368 /nfs/dbraw/zinc/48/03/68/720480368.db2.gz XTTBFOCYGRBOOD-FGZHOGPDSA-N 0 0 469.980 4.502 20 0 JJADRN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731802 720480451 /nfs/dbraw/zinc/48/04/51/720480451.db2.gz XTTBFOCYGRBOOD-YADHBBJMSA-N 0 0 469.980 4.502 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727530 720484403 /nfs/dbraw/zinc/48/44/03/720484403.db2.gz NIXZLEGETJOLTG-VXKWHMMOSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc(Cl)nc2Cl)C3)c1 ZINC001164730579 720490085 /nfs/dbraw/zinc/49/00/85/720490085.db2.gz UNFAAQWJXYWKIL-XOBRGWDASA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cnc(Cl)cc2Cl)C3)c1 ZINC001164731558 720491263 /nfs/dbraw/zinc/49/12/63/720491263.db2.gz WLWXEDLTJHZQJL-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4ncnc(Cl)c4c2)C3)c1 ZINC001164723087 720492022 /nfs/dbraw/zinc/49/20/22/720492022.db2.gz BTWKVOALKKCDEL-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)C3)c1 ZINC001164724759 720492047 /nfs/dbraw/zinc/49/20/47/720492047.db2.gz HAPDLBPIHIECAF-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)C3)c1 ZINC001164722442 720492532 /nfs/dbraw/zinc/49/25/32/720492532.db2.gz AMMRRLUEWJXLNT-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164722558 720498999 /nfs/dbraw/zinc/49/89/99/720498999.db2.gz BBUNOFXGGAQYPZ-URXFXBBRSA-N 0 0 484.934 4.966 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164722561 720500026 /nfs/dbraw/zinc/50/00/26/720500026.db2.gz BBUNOFXGGAQYPZ-ZJSXRUAMSA-N 0 0 484.934 4.966 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]21)N1CCCCC1 ZINC001164832573 720500183 /nfs/dbraw/zinc/50/01/83/720500183.db2.gz JRWBMHJYLOVPPJ-DSKINZAPSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]21)N1CCCCC1 ZINC001164835632 720501351 /nfs/dbraw/zinc/50/13/51/720501351.db2.gz ZIBADHBOOKOMIP-GGPKGHCWSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164730173 720501383 /nfs/dbraw/zinc/50/13/83/720501383.db2.gz SQOCXMKONOKAEM-IIBYNOLFSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@H]21)N1CCCCC1 ZINC001164832363 720503080 /nfs/dbraw/zinc/50/30/80/720503080.db2.gz ADVUYPUMJVPVFH-UZKOGDIHSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21)N1CCCCC1 ZINC001164836529 720503149 /nfs/dbraw/zinc/50/31/49/720503149.db2.gz MXNBQIKVIVJSES-UZKOGDIHSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164840635 720503297 /nfs/dbraw/zinc/50/32/97/720503297.db2.gz XBMSGIAIUYIZKR-VCOUNFBDSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]21)N1CCCCC1 ZINC001164837829 720503398 /nfs/dbraw/zinc/50/33/98/720503398.db2.gz PNKVSSXWZMFMDB-LMNJBCLMSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@H]21)N1CCCCC1 ZINC001164832362 720503455 /nfs/dbraw/zinc/50/34/55/720503455.db2.gz ADVUYPUMJVPVFH-DWLFOUALSA-N 0 0 490.982 4.586 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164732007 720504349 /nfs/dbraw/zinc/50/43/49/720504349.db2.gz SCOBDHGUKOSKAT-QPPBQGQZSA-N 0 0 499.949 4.669 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164730731 720504576 /nfs/dbraw/zinc/50/45/76/720504576.db2.gz NEZTXAHYHOTPIV-REWPJTCUSA-N 0 0 476.955 4.568 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736579 720537763 /nfs/dbraw/zinc/53/77/63/720537763.db2.gz ZOLWJGNFSQVGIY-VGOFRKELSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734688 720539735 /nfs/dbraw/zinc/53/97/35/720539735.db2.gz KJVDXIZKRKBCGQ-GCJKJVERSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733633 720540998 /nfs/dbraw/zinc/54/09/98/720540998.db2.gz DFEMBIVHODGEDY-FDDCHVKYSA-N 0 0 487.938 4.586 20 0 JJADRN O=C1CCCC2(CCN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)CC2)N1 ZINC001164838929 720732929 /nfs/dbraw/zinc/73/29/29/720732929.db2.gz ZLJMZAUPUOQDDN-UHFFFAOYSA-N 0 0 475.662 4.983 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2cc(Cl)nc(Cl)n2)Cc2ccccc23)nc1 ZINC001164836800 720733994 /nfs/dbraw/zinc/73/39/94/720733994.db2.gz GGNDZEFJSZHOFZ-UHFFFAOYSA-N 0 0 495.336 4.816 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)Cc1ccccc12 ZINC001164842422 720744445 /nfs/dbraw/zinc/74/44/45/720744445.db2.gz DPGUXEKDPHBJFX-UHFFFAOYSA-N 0 0 497.933 4.943 20 0 JJADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001164842576 720746235 /nfs/dbraw/zinc/74/62/35/720746235.db2.gz FZLFTKLWKWKFCC-UHFFFAOYSA-N 0 0 462.953 4.580 20 0 JJADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)CCC[C@]12CCC(=O)N2 ZINC001164846732 720753002 /nfs/dbraw/zinc/75/30/02/720753002.db2.gz JQDKZBGBSBDCRD-XXBNENTESA-N 0 0 473.955 4.861 20 0 JJADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccccc1 ZINC001164851150 720767890 /nfs/dbraw/zinc/76/78/90/720767890.db2.gz YONGSNMWBVYMJP-ZWKOTPCHSA-N 0 0 455.896 4.511 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847847 720771044 /nfs/dbraw/zinc/77/10/44/720771044.db2.gz NRNKEFIIPVZQHY-UIFIKXQLSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164843969 720771636 /nfs/dbraw/zinc/77/16/36/720771636.db2.gz BCQMSGUBIBQJMV-UAGQMJEPSA-N 0 0 466.941 4.628 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847841 720773620 /nfs/dbraw/zinc/77/36/20/720773620.db2.gz NOZROALDYXJMKE-YYWHXJBOSA-N 0 0 460.912 4.566 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164845148 720774754 /nfs/dbraw/zinc/77/47/54/720774754.db2.gz FGDAZBLRQQNVPZ-BBWFWOEESA-N 0 0 455.958 4.740 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847116 720778782 /nfs/dbraw/zinc/77/87/82/720778782.db2.gz KVLAKXWFFRQCME-UXPWSPDFSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847115 720779121 /nfs/dbraw/zinc/77/91/21/720779121.db2.gz KVLAKXWFFRQCME-DBVUQKKJSA-N 0 0 460.912 4.566 20 0 JJADRN COC[C@]12CCC[C@H]1CN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164847228 720788596 /nfs/dbraw/zinc/78/85/96/720788596.db2.gz MEDXCUDDJMKFBS-IMRHEYAYSA-N 0 0 465.400 4.670 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)C2=O)c1 ZINC001164848621 720807876 /nfs/dbraw/zinc/80/78/76/720807876.db2.gz DFTNSIUIQVZZBJ-DEOSSOPVSA-N 0 0 483.950 4.674 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c1 ZINC001164849368 720807933 /nfs/dbraw/zinc/80/79/33/720807933.db2.gz GJAOGHSQPYMTLS-NRFANRHFSA-N 0 0 451.970 4.939 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)C2=O)c1 ZINC001164851942 720807978 /nfs/dbraw/zinc/80/79/78/720807978.db2.gz LWLNGCZBQCYUNI-DEOSSOPVSA-N 0 0 483.950 4.674 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164851211 720814566 /nfs/dbraw/zinc/81/45/66/720814566.db2.gz KGDIZKSXZROHEP-GHTZIAJQSA-N 0 0 460.956 4.817 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001164855652 720814934 /nfs/dbraw/zinc/81/49/34/720814934.db2.gz XTWKONXNKKTGPB-DENIHFKCSA-N 0 0 468.935 4.745 20 0 JJADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164852137 720828920 /nfs/dbraw/zinc/82/89/20/720828920.db2.gz ZFWVPGYTYCEVLD-RBBKRZOGSA-N 0 0 452.929 4.881 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCOC[C@H]3c3csc(C)n3)c(Cl)nn2)cc1 ZINC001164748863 720865729 /nfs/dbraw/zinc/86/57/29/720865729.db2.gz MPLONJUARQKITM-SFHVURJKSA-N 0 0 452.914 4.693 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCOC[C@@H]3c3csc(C)n3)c(Cl)nn2)cc1 ZINC001164748860 720865786 /nfs/dbraw/zinc/86/57/86/720865786.db2.gz MPLONJUARQKITM-GOSISDBHSA-N 0 0 452.914 4.693 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)n1 ZINC001164861174 720894853 /nfs/dbraw/zinc/89/48/53/720894853.db2.gz XCQVOVDQUNRZGC-UHFFFAOYSA-N 0 0 492.693 4.678 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1)c1ccccc1 ZINC001164856892 720898409 /nfs/dbraw/zinc/89/84/09/720898409.db2.gz HQBUJVFQIAHATB-PXDATVDWSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1)c1ccccc1 ZINC001164858754 720898796 /nfs/dbraw/zinc/89/87/96/720898796.db2.gz ORYJKNTWTHSBQC-HYBUGGRVSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1)c1ccccc1 ZINC001164853996 720899942 /nfs/dbraw/zinc/89/99/42/720899942.db2.gz DOUGVJYZQOPBHO-CJFMBICVSA-N 0 0 498.961 4.900 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164854000 720900852 /nfs/dbraw/zinc/90/08/52/720900852.db2.gz DSCZMTDEAGJUDT-HRAATJIYSA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1)c1ccccc1 ZINC001164858508 720901308 /nfs/dbraw/zinc/90/13/08/720901308.db2.gz NRGWKFVLTFBOLZ-NBGIEHNGSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1)c1ccccc1 ZINC001164858511 720901373 /nfs/dbraw/zinc/90/13/73/720901373.db2.gz NRGWKFVLTFBOLZ-NLFFAJNJSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1)c1ccccc1 ZINC001164855887 720902499 /nfs/dbraw/zinc/90/24/99/720902499.db2.gz JQQZFDGMAKWSKI-HYBUGGRVSA-N 0 0 471.935 4.991 20 0 JJADRN CC(C)CN1[C@H]2CCN(C(C)(C)c3ccnc(Cl)c3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164755537 720973254 /nfs/dbraw/zinc/97/32/54/720973254.db2.gz AEVWROMGBUEYDN-VQTJNVASSA-N 0 0 478.058 4.542 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164756780 720974134 /nfs/dbraw/zinc/97/41/34/720974134.db2.gz KXMJXMIZYMVMSV-QGZVFWFLSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758920 720976836 /nfs/dbraw/zinc/97/68/36/720976836.db2.gz WWUGKOSVNWRAKX-CQSZACIVSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758052 720980256 /nfs/dbraw/zinc/98/02/56/720980256.db2.gz SFKGXPHZLSILEA-LBPRGKRZSA-N 0 0 451.732 4.846 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164757037 720983139 /nfs/dbraw/zinc/98/31/39/720983139.db2.gz MDPSOXCTRDUPPR-KRWDZBQOSA-N 0 0 459.928 4.601 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2Cc3cncn3C[C@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756811 720984695 /nfs/dbraw/zinc/98/46/95/720984695.db2.gz LNNDOWRSNBWISF-KRWDZBQOSA-N 0 0 489.954 4.610 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164759624 721009495 /nfs/dbraw/zinc/00/94/95/721009495.db2.gz MODFTSAFYLYJQU-VJBWXMMDSA-N 0 0 487.934 4.674 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164765969 721027924 /nfs/dbraw/zinc/02/79/24/721027924.db2.gz PWRSCCRFHSDKEO-XMSQKQJNSA-N 0 0 460.912 4.568 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760811 721030849 /nfs/dbraw/zinc/03/08/49/721030849.db2.gz DMCNFBGUOXGOSN-WXVAWEFUSA-N 0 0 493.677 4.644 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767508 721031359 /nfs/dbraw/zinc/03/13/59/721031359.db2.gz SALSSULXVKXNHX-AJTFRIOCSA-N 0 0 495.693 4.890 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164861147 721032552 /nfs/dbraw/zinc/03/25/52/721032552.db2.gz DHIUWWPQRHBPSZ-UHFFFAOYSA-N 0 0 463.319 4.591 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCc3ncc(Cn4cccn4)n3CC2)cnc1Cl ZINC001164862003 721033783 /nfs/dbraw/zinc/03/37/83/721033783.db2.gz JRBYOOMMCLRBGL-UHFFFAOYSA-N 0 0 472.902 4.590 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)CC2)CN1c1cncnc1 ZINC001164868138 721039414 /nfs/dbraw/zinc/03/94/14/721039414.db2.gz MTRJJHNXODLJLE-UHFFFAOYSA-N 0 0 491.970 4.520 20 0 JJADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164768399 721040647 /nfs/dbraw/zinc/04/06/47/721040647.db2.gz UFXWEHJYXMOWPM-VQTJNVASSA-N 0 0 492.357 4.827 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)[C@@H]2COCc1ccccc1 ZINC001164766862 721048723 /nfs/dbraw/zinc/04/87/23/721048723.db2.gz GDLPDBCIOGMHSB-GOSISDBHSA-N 0 0 472.927 4.693 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164771699 721053080 /nfs/dbraw/zinc/05/30/80/721053080.db2.gz NNVBLZZDHLTEHU-ROUUACIJSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001164769222 721054669 /nfs/dbraw/zinc/05/46/69/721054669.db2.gz IWROAOKIDCHZBN-HUUCEWRRSA-N 0 0 461.727 4.670 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)n1 ZINC001164770940 721056083 /nfs/dbraw/zinc/05/60/83/721056083.db2.gz LLJTUTPFIKDVBF-LEWJYISDSA-N 0 0 484.934 4.910 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773688 721056158 /nfs/dbraw/zinc/05/61/58/721056158.db2.gz SWAMVRUMEYXYHU-DHIUTWEWSA-N 0 0 498.656 4.503 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC3)CN(c3ccccn3)CCO4)c2c1C ZINC001164870760 721219535 /nfs/dbraw/zinc/21/95/35/721219535.db2.gz HTZDOPYZXFZKTP-UHFFFAOYSA-N 0 0 492.693 4.565 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872326 721220096 /nfs/dbraw/zinc/22/00/96/721220096.db2.gz NLQADZQOOBPVBW-UHFFFAOYSA-N 0 0 480.346 4.752 20 0 JJADRN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164869499 721225389 /nfs/dbraw/zinc/22/53/89/721225389.db2.gz CPBBSKKVUBHGKN-LJQANCHMSA-N 0 0 492.998 4.644 20 0 JJADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164871817 721239010 /nfs/dbraw/zinc/23/90/10/721239010.db2.gz IQJLCPGGXQEIIY-UHFFFAOYSA-N 0 0 486.872 4.952 20 0 JJADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164873001 721239834 /nfs/dbraw/zinc/23/98/34/721239834.db2.gz OGTNPSZOWYLXRG-GFCCVEGCSA-N 0 0 451.880 4.672 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164873002 721239940 /nfs/dbraw/zinc/23/99/40/721239940.db2.gz OGTNPSZOWYLXRG-LBPRGKRZSA-N 0 0 451.880 4.672 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164874920 721240782 /nfs/dbraw/zinc/24/07/82/721240782.db2.gz URCMBFURJZZSCY-LBPRGKRZSA-N 0 0 451.880 4.672 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164871808 721241599 /nfs/dbraw/zinc/24/15/99/721241599.db2.gz IIYLMCJHOBLSEL-SFHVURJKSA-N 0 0 492.693 4.870 20 0 JJADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164875866 721242784 /nfs/dbraw/zinc/24/27/84/721242784.db2.gz XUNLVGMVIKIWCM-SFHVURJKSA-N 0 0 492.693 4.870 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(COCC4CC4)cnc3[C@H]2C)n1 ZINC001164873166 721242880 /nfs/dbraw/zinc/24/28/80/721242880.db2.gz PUGYAPPHTUHHTA-QGZVFWFLSA-N 0 0 468.671 4.854 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164875051 721251238 /nfs/dbraw/zinc/25/12/38/721251238.db2.gz LPDNMEISTBPZDD-QIJUGHKUSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164878224 721251877 /nfs/dbraw/zinc/25/18/77/721251877.db2.gz STIMGRWUEXKMER-HJNYFJLDSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]21 ZINC001164767134 721252401 /nfs/dbraw/zinc/25/24/01/721252401.db2.gz VUMKCJSKDIDRLO-YUXAGFNASA-N 0 0 487.934 4.555 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)O1)c1ccccc1 ZINC001164876037 721254331 /nfs/dbraw/zinc/25/43/31/721254331.db2.gz NCPUYFGMIBNYCW-KKSFZXQISA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)O1)c1ccccc1 ZINC001164877429 721254458 /nfs/dbraw/zinc/25/44/58/721254458.db2.gz RJJXIHRVNCDQRN-LAUBAEHRSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)O1)c1ccccc1 ZINC001164873281 721255564 /nfs/dbraw/zinc/25/55/64/721255564.db2.gz HIWJWAIVVWZFIC-CYFREDJKSA-N 0 0 486.950 4.776 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1Cl ZINC001164879334 721256895 /nfs/dbraw/zinc/25/68/95/721256895.db2.gz YBIGVHXRQYBPDO-HTAPYJJXSA-N 0 0 481.996 4.950 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)O1)c1ccccc1 ZINC001164878119 721257172 /nfs/dbraw/zinc/25/71/72/721257172.db2.gz SIQZQUMEMXWXNL-GAJHUEQPSA-N 0 0 474.939 4.709 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)O1)c1ccccc1 ZINC001164879304 721259514 /nfs/dbraw/zinc/25/95/14/721259514.db2.gz XXHNIFUHOIFKRJ-NFBKMPQASA-N 0 0 475.967 4.803 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)O1)c1ccccc1 ZINC001164876147 721259757 /nfs/dbraw/zinc/25/97/57/721259757.db2.gz OFUUBZMSJCOLNL-MHECFPHRSA-N 0 0 475.967 4.717 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769246 721270389 /nfs/dbraw/zinc/27/03/89/721270389.db2.gz XEJPUTBKROHHFS-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164764463 721271032 /nfs/dbraw/zinc/27/10/32/721271032.db2.gz GUIQFTGBINVEQO-UHFFFAOYSA-N 0 0 456.924 4.838 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765203 721271342 /nfs/dbraw/zinc/27/13/42/721271342.db2.gz JHRBCIFVSGVKDJ-UHFFFAOYSA-N 0 0 457.912 4.622 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164764524 721272977 /nfs/dbraw/zinc/27/29/77/721272977.db2.gz HFBMLFNCYONOOH-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770723 721276428 /nfs/dbraw/zinc/27/64/28/721276428.db2.gz XVLXQUMHYQZOJG-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766285 721278195 /nfs/dbraw/zinc/27/81/95/721278195.db2.gz BOOLSHYHHOSGMB-QGZVFWFLSA-N 0 0 473.955 4.856 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164879685 721297795 /nfs/dbraw/zinc/29/77/95/721297795.db2.gz ZHFCTZKCUBQTTK-MGPUTAFESA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164877769 721299885 /nfs/dbraw/zinc/29/98/85/721299885.db2.gz JRKDHDQDWZTZQT-KKSFZXQISA-N 0 0 496.023 4.978 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4cccnc4)n2)CCO3)c1 ZINC001164774451 721305166 /nfs/dbraw/zinc/30/51/66/721305166.db2.gz CHASMCNQXDCBQM-XMMPIXPASA-N 0 0 485.966 4.921 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CCO3)c1 ZINC001164775436 721305469 /nfs/dbraw/zinc/30/54/69/721305469.db2.gz WYPPCLNKJNBSDM-JOCHJYFZSA-N 0 0 475.927 4.514 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CCC(=O)N5CC5CC5)CC4)c23)C1 ZINC001164776689 721307025 /nfs/dbraw/zinc/30/70/25/721307025.db2.gz ORUSXYUKVAEXQS-LJQANCHMSA-N 0 0 493.721 4.783 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164876947 721312874 /nfs/dbraw/zinc/31/28/74/721312874.db2.gz HMMOFDDYQPADQL-MORSLUCNSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164876946 721312996 /nfs/dbraw/zinc/31/29/96/721312996.db2.gz HMMOFDDYQPADQL-JEBQAFNWSA-N 0 0 481.330 4.939 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC001164879581 721314005 /nfs/dbraw/zinc/31/40/05/721314005.db2.gz NRZRTKQMWGKANG-PWRODBHTSA-N 0 0 481.666 4.608 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)n1 ZINC001164879577 721314169 /nfs/dbraw/zinc/31/41/69/721314169.db2.gz NRZRTKQMWGKANG-NJDAHSKKSA-N 0 0 481.666 4.608 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881974 721314315 /nfs/dbraw/zinc/31/43/15/721314315.db2.gz YVTYHBPJLIIVJA-BMGDILEWSA-N 0 0 478.952 4.861 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881977 721314592 /nfs/dbraw/zinc/31/45/92/721314592.db2.gz YVTYHBPJLIIVJA-ZTFGCOKTSA-N 0 0 478.952 4.861 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c(Cl)n1 ZINC001164779020 721315858 /nfs/dbraw/zinc/31/58/58/721315858.db2.gz TXBIZTFDFYMQEW-UHFFFAOYSA-N 0 0 476.886 4.658 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164880381 721317991 /nfs/dbraw/zinc/31/79/91/721317991.db2.gz XGZZYHAGZXOHTH-IBGZPJMESA-N 0 0 468.935 4.842 20 0 JJADRN CCN1CC[C@@]2(CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)C[C@@H]2C)C1=O ZINC001164776475 721319464 /nfs/dbraw/zinc/31/94/64/721319464.db2.gz DFBHKJBFZCYCLK-WNSKOXEYSA-N 0 0 473.955 4.528 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164779550 721324357 /nfs/dbraw/zinc/32/43/57/721324357.db2.gz YTCSDJSRERGJHJ-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164776889 721325313 /nfs/dbraw/zinc/32/53/13/721325313.db2.gz FWSICMKGSXSKAS-CQSZACIVSA-N 0 0 464.875 4.569 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164778883 721326281 /nfs/dbraw/zinc/32/62/81/721326281.db2.gz ZVHOMOYXDHVJIN-ZDUSSCGKSA-N 0 0 459.921 4.743 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164779424 721326312 /nfs/dbraw/zinc/32/63/12/721326312.db2.gz XTYSDAIWSOXPLI-ZDUSSCGKSA-N 0 0 452.864 4.502 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164776064 721326502 /nfs/dbraw/zinc/32/65/02/721326502.db2.gz CGSOAYMXZDKXEN-MRXNPFEDSA-N 0 0 464.875 4.569 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)c2c1C ZINC001164777813 721326877 /nfs/dbraw/zinc/32/68/77/721326877.db2.gz RCAXIYGIHFCREI-IBGZPJMESA-N 0 0 497.640 4.645 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164776067 721326943 /nfs/dbraw/zinc/32/69/43/721326943.db2.gz CKDXNLVZELRFOL-CQSZACIVSA-N 0 0 452.864 4.502 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)nc(Cl)c2c1 ZINC001164776527 721326964 /nfs/dbraw/zinc/32/69/64/721326964.db2.gz GAEQTBTYFNXCKC-OAHLLOKOSA-N 0 0 494.901 4.578 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164776541 721327850 /nfs/dbraw/zinc/32/78/50/721327850.db2.gz GDMWZWLBOSCRSZ-INIZCTEOSA-N 0 0 453.892 4.898 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)nc1Cl ZINC001164777739 721328194 /nfs/dbraw/zinc/32/81/94/721328194.db2.gz PZNLGUIHKBUYCC-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1Cl ZINC001164876270 721328837 /nfs/dbraw/zinc/32/88/37/721328837.db2.gz NGXSJKKBHYZRBV-UHFFFAOYSA-N 0 0 458.987 4.591 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164874164 721329686 /nfs/dbraw/zinc/32/96/86/721329686.db2.gz HDOJGCDIIRPENT-UHFFFAOYSA-N 0 0 452.958 4.747 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)cs1 ZINC001164876294 721330374 /nfs/dbraw/zinc/33/03/74/721330374.db2.gz NTPJBRWYDDBVOL-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)cs1 ZINC001164876269 721331174 /nfs/dbraw/zinc/33/11/74/721331174.db2.gz NGTSXNCWXWZPHO-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)cs1 ZINC001164876733 721331290 /nfs/dbraw/zinc/33/12/90/721331290.db2.gz PPUYWTSYEJMSNA-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)cs1 ZINC001164874807 721332348 /nfs/dbraw/zinc/33/23/48/721332348.db2.gz JHYCQKPZXLBEFO-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164776554 721333963 /nfs/dbraw/zinc/33/39/63/721333963.db2.gz GKPCRBVHEHNUKE-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778558 721339586 /nfs/dbraw/zinc/33/95/86/721339586.db2.gz NDVGJTRJUAZZLK-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164889161 721341853 /nfs/dbraw/zinc/34/18/53/721341853.db2.gz YCMXMKFSYQGXRF-NQIIRXRSSA-N 0 0 470.347 4.598 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164889287 721346158 /nfs/dbraw/zinc/34/61/58/721346158.db2.gz YYAMOHMZWIJIOP-XUZZJYLKSA-N 0 0 475.967 4.767 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777275 721347371 /nfs/dbraw/zinc/34/73/71/721347371.db2.gz FGKYUTLUGDWEBR-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776854 721352088 /nfs/dbraw/zinc/35/20/88/721352088.db2.gz DMHLTXKZGVNOKA-FQEVSTJZSA-N 0 0 459.805 4.766 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)N1c1ccsc1 ZINC001164881264 721356557 /nfs/dbraw/zinc/35/65/57/721356557.db2.gz ARQWWLLDDKBCQY-CABCVRRESA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786150 721357109 /nfs/dbraw/zinc/35/71/09/721357109.db2.gz WOYWEUCUDHBYRX-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885254 721358386 /nfs/dbraw/zinc/35/83/86/721358386.db2.gz XRJRLZCRBVNBCK-MSOLQXFVSA-N 0 0 455.653 4.596 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882634 721358585 /nfs/dbraw/zinc/35/85/85/721358585.db2.gz KHUQBOWBCDRPJY-RTBURBONSA-N 0 0 479.675 4.612 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)c(Cl)nn1 ZINC001164885658 721360310 /nfs/dbraw/zinc/36/03/10/721360310.db2.gz YEWXBVLQZURCGN-QZTJIDSGSA-N 0 0 476.936 4.796 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)N1c1ccsc1 ZINC001164883703 721360715 /nfs/dbraw/zinc/36/07/15/721360715.db2.gz RLZJTEFAXJSOHQ-QZTJIDSGSA-N 0 0 464.900 4.927 20 0 JJADRN CCCCOc1cnc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780222 721362704 /nfs/dbraw/zinc/36/27/04/721362704.db2.gz DHWIAAKPVOFWLA-XMMPIXPASA-N 0 0 463.022 4.638 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787076 721368015 /nfs/dbraw/zinc/36/80/15/721368015.db2.gz YKPCPAOXBPXPBL-VWLOTQADSA-N 0 0 468.001 4.521 20 0 JJADRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164886185 721378048 /nfs/dbraw/zinc/37/80/48/721378048.db2.gz DPJRYXCAJOERCT-LJQANCHMSA-N 0 0 476.014 4.793 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780178 721382792 /nfs/dbraw/zinc/38/27/92/721382792.db2.gz FGTGCCBKVPYWQM-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164781373 721382847 /nfs/dbraw/zinc/38/28/47/721382847.db2.gz JLCJFWALDVFOMG-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164781370 721382903 /nfs/dbraw/zinc/38/29/03/721382903.db2.gz JLCJFWALDVFOMG-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780179 721382942 /nfs/dbraw/zinc/38/29/42/721382942.db2.gz FGTGCCBKVPYWQM-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779851 721384451 /nfs/dbraw/zinc/38/44/51/721384451.db2.gz CSEFOOFEQFNOTP-CVDCTZTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164785327 721385445 /nfs/dbraw/zinc/38/54/45/721385445.db2.gz RCEDABBTMXRLFF-MBSDFSHPSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164785328 721385482 /nfs/dbraw/zinc/38/54/82/721385482.db2.gz RCEDABBTMXRLFF-WZONZLPQSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786172 721386071 /nfs/dbraw/zinc/38/60/71/721386071.db2.gz UDOFYFFXWSSJJG-MBSDFSHPSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164779341 721386918 /nfs/dbraw/zinc/38/69/18/721386918.db2.gz AJKZVROMPJIMPX-REWPJTCUSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164780168 721386937 /nfs/dbraw/zinc/38/69/37/721386937.db2.gz FFTYZBCYOUNYKA-REWPJTCUSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164787598 721403778 /nfs/dbraw/zinc/40/37/78/721403778.db2.gz QAUMNTBLLMBUJF-RYUDHWBXSA-N 0 0 456.349 4.506 20 0 JJADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164783974 721410766 /nfs/dbraw/zinc/41/07/66/721410766.db2.gz JPTAQVTVSWHAOP-OYRHEFFESA-N 0 0 475.021 4.884 20 0 JJADRN c1csc(CN2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164787251 721425198 /nfs/dbraw/zinc/42/51/98/721425198.db2.gz PSEJQSDACKOYKA-QZTJIDSGSA-N 0 0 474.659 4.657 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164788086 721441500 /nfs/dbraw/zinc/44/15/00/721441500.db2.gz YVWGOQRSMGWAFO-HXUWFJFHSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164784908 721442275 /nfs/dbraw/zinc/44/22/75/721442275.db2.gz QZSRUUZRUUTYRY-QFIPXVFZSA-N 0 0 487.982 4.998 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164785121 721442382 /nfs/dbraw/zinc/44/23/82/721442382.db2.gz RPSHCFDIMWUFKL-HXUWFJFHSA-N 0 0 459.928 4.606 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164784904 721442408 /nfs/dbraw/zinc/44/24/08/721442408.db2.gz QZSRUUZRUUTYRY-JOCHJYFZSA-N 0 0 487.982 4.998 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ncc2Cl)CCO3)cs1 ZINC001164785653 721443599 /nfs/dbraw/zinc/44/35/99/721443599.db2.gz SIJYJSXAHCDRDB-UGSOOPFHSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)cs1 ZINC001164782533 721444797 /nfs/dbraw/zinc/44/47/97/721444797.db2.gz KBDDBVIOQAMIBD-VFNWGFHPSA-N 0 0 485.000 4.521 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)C2=O)cs1 ZINC001164892769 721460804 /nfs/dbraw/zinc/46/08/04/721460804.db2.gz XZJGAEIUZINYOF-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)C2=O)cs1 ZINC001164890453 721461098 /nfs/dbraw/zinc/46/10/98/721461098.db2.gz SBGQWXYGTZDXHV-OAQYLSRUSA-N 0 0 495.958 4.751 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1 ZINC001164895211 721464897 /nfs/dbraw/zinc/46/48/97/721464897.db2.gz ZZRSHLVZYSMGFW-XLIONFOSSA-N 0 0 491.966 4.817 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164887616 721465391 /nfs/dbraw/zinc/46/53/91/721465391.db2.gz CYGIMMVWWQMWQP-KCZVDYSFSA-N 0 0 495.737 4.885 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164889008 721469982 /nfs/dbraw/zinc/46/99/82/721469982.db2.gz HBOVLMKZINVESR-KRWDZBQOSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164889011 721470045 /nfs/dbraw/zinc/47/00/45/721470045.db2.gz HBOVLMKZINVESR-QGZVFWFLSA-N 0 0 469.923 4.878 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC2)C1=O ZINC001164895052 721473455 /nfs/dbraw/zinc/47/34/55/721473455.db2.gz QUHZFSSPWZMGFX-UHFFFAOYSA-N 0 0 472.923 4.736 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)n1 ZINC001164894466 721473529 /nfs/dbraw/zinc/47/35/29/721473529.db2.gz MVQHAJJZANMUPH-UHFFFAOYSA-N 0 0 491.705 4.951 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC2)C1=O ZINC001164894033 721473600 /nfs/dbraw/zinc/47/36/00/721473600.db2.gz MPRTYAWEFIIFSV-UHFFFAOYSA-N 0 0 456.924 4.629 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164892513 721474836 /nfs/dbraw/zinc/47/48/36/721474836.db2.gz GFUQMAKQFWLHMI-QHCPKHFHSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001164893351 721475003 /nfs/dbraw/zinc/47/50/03/721475003.db2.gz HXCFGYAXWNKVOH-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164788847 721474999 /nfs/dbraw/zinc/47/49/99/721474999.db2.gz LUSMDAXPPNZYQF-UHFFFAOYSA-N 0 0 497.937 4.836 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164893973 721475265 /nfs/dbraw/zinc/47/52/65/721475265.db2.gz LEANORAOIMIVLZ-HSZRJFAPSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164893446 721475356 /nfs/dbraw/zinc/47/53/56/721475356.db2.gz IWLWLEDMWFQGKI-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164891057 721475393 /nfs/dbraw/zinc/47/53/93/721475393.db2.gz ALOMHTAFMYYXMX-HSZRJFAPSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164893972 721475822 /nfs/dbraw/zinc/47/58/22/721475822.db2.gz LDBHQSAOPGNRHD-QFIPXVFZSA-N 0 0 489.979 4.960 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164792431 721486724 /nfs/dbraw/zinc/48/67/24/721486724.db2.gz IYTZXSOYFJCZOK-XCLFUZPHSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164792074 721486765 /nfs/dbraw/zinc/48/67/65/721486765.db2.gz GELXDXGUTWPVTK-XCLFUZPHSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164793390 721486852 /nfs/dbraw/zinc/48/68/52/721486852.db2.gz RNGFXWUYILQHFQ-YUNKPMOVSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164893384 721487598 /nfs/dbraw/zinc/48/75/98/721487598.db2.gz COONPOBORZQWGB-INIZCTEOSA-N 0 0 472.902 4.816 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164895275 721487994 /nfs/dbraw/zinc/48/79/94/721487994.db2.gz KROWRVCIUSCUES-GOSISDBHSA-N 0 0 468.939 4.985 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164897658 721488119 /nfs/dbraw/zinc/48/81/19/721488119.db2.gz TWNNQINHSZTHII-OAHLLOKOSA-N 0 0 460.941 4.738 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164900912 721489523 /nfs/dbraw/zinc/48/95/23/721489523.db2.gz SEZZDMBXHNIGLH-LJQANCHMSA-N 0 0 491.966 4.871 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164901858 721491207 /nfs/dbraw/zinc/49/12/07/721491207.db2.gz WMBAISINWDFHSU-INIZCTEOSA-N 0 0 494.945 4.525 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccc(C)cc21 ZINC001164901535 721492020 /nfs/dbraw/zinc/49/20/20/721492020.db2.gz WHCWRDLNJSTLTH-SFHVURJKSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccc(C)cc21 ZINC001164900418 721492214 /nfs/dbraw/zinc/49/22/14/721492214.db2.gz PLOVIBGUQIULNE-GOSISDBHSA-N 0 0 452.908 4.639 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@H](OCC5CC5)[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164901183 721496882 /nfs/dbraw/zinc/49/68/82/721496882.db2.gz TYPSOHQARIEZFS-HFMPRLQTSA-N 0 0 453.030 4.720 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164895189 721500885 /nfs/dbraw/zinc/50/08/85/721500885.db2.gz ATEAHWRYYBCDOZ-IBGZPJMESA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)CC2 ZINC001164896797 721502034 /nfs/dbraw/zinc/50/20/34/721502034.db2.gz KFBOCDSTHOBCQE-IBGZPJMESA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164899223 721502284 /nfs/dbraw/zinc/50/22/84/721502284.db2.gz XKJSYFDVAIKVJW-NRFANRHFSA-N 0 0 493.982 4.974 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164899229 721502653 /nfs/dbraw/zinc/50/26/53/721502653.db2.gz XQJVBUZVMCVUSP-LJQANCHMSA-N 0 0 467.944 4.688 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(CCOC[C@H]4NC(=O)C(C)C)CC3)c(Cl)nn2)cc1 ZINC001164899199 721502709 /nfs/dbraw/zinc/50/27/09/721502709.db2.gz WZZYTLQHGTZOTB-OAQYLSRUSA-N 0 0 492.998 4.798 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC2)N1Cc1ccncc1 ZINC001164896924 721506384 /nfs/dbraw/zinc/50/63/84/721506384.db2.gz CLAUUZGUCHKEQW-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795287 721506548 /nfs/dbraw/zinc/50/65/48/721506548.db2.gz JWILQKORYWRBJQ-VGOFRKELSA-N 0 0 457.912 4.817 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@H]12 ZINC001164799939 721540860 /nfs/dbraw/zinc/54/08/60/721540860.db2.gz CFJPXNLZBPXUGH-ZDXQCDESSA-N 0 0 457.603 4.622 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164799937 721541163 /nfs/dbraw/zinc/54/11/63/721541163.db2.gz CFJPXNLZBPXUGH-CQOQZXRMSA-N 0 0 457.603 4.622 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H]2CCCO[C@H]12 ZINC001164806101 721545985 /nfs/dbraw/zinc/54/59/85/721545985.db2.gz NUTKJHMNXMLVJP-AQNXPRMDSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164804450 721548320 /nfs/dbraw/zinc/54/83/20/721548320.db2.gz JRGZZKHHJAEUDZ-BHDDXSALSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805678 721567234 /nfs/dbraw/zinc/56/72/34/721567234.db2.gz OKQIAZAAMOXMGE-BHDDXSALSA-N 0 0 458.940 4.696 20 0 JJADRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@H]2C1=O ZINC001164902309 721576084 /nfs/dbraw/zinc/57/60/84/721576084.db2.gz JQUNPZWZPSTGGE-SUMWQHHRSA-N 0 0 489.872 4.507 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164902758 721577179 /nfs/dbraw/zinc/57/71/79/721577179.db2.gz MMWLKPADGMTNNN-GOSISDBHSA-N 0 0 475.367 4.697 20 0 JJADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164809489 721577400 /nfs/dbraw/zinc/57/74/00/721577400.db2.gz SMZRFHBRGBRYMN-GPXNEJASSA-N 0 0 486.645 4.633 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164903919 721578011 /nfs/dbraw/zinc/57/80/11/721578011.db2.gz PDHUUCQXEQOEMT-QGZVFWFLSA-N 0 0 487.016 4.765 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164805223 721580101 /nfs/dbraw/zinc/58/01/01/721580101.db2.gz LAVBXKMLYLPNIO-CQOQZXRMSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810751 721580242 /nfs/dbraw/zinc/58/02/42/721580242.db2.gz WBNXHVPKUCCPMS-DNVJHFABSA-N 0 0 485.966 4.605 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)cc1 ZINC001164901851 721580681 /nfs/dbraw/zinc/58/06/81/721580681.db2.gz BNWOKVNUGSDEDQ-QHCPKHFHSA-N 0 0 489.929 4.752 20 0 JJADRN Cc1ccc(-c2nc3ccccc3c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)s1 ZINC001164810864 721582315 /nfs/dbraw/zinc/58/23/15/721582315.db2.gz WNFJITMEJMAMBJ-GIFXNVAJSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@H]12 ZINC001164806824 721591846 /nfs/dbraw/zinc/59/18/46/721591846.db2.gz NBSQAEDVMCUGHQ-SJBKTWHCSA-N 0 0 474.939 4.803 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800881 721591862 /nfs/dbraw/zinc/59/18/62/721591862.db2.gz DAKGZPXKIHQVDA-HJOGWXRNSA-N 0 0 499.993 4.914 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)Oc3cccnc3Cl)CC2)Oc2ccccc21 ZINC001164811238 721593046 /nfs/dbraw/zinc/59/30/46/721593046.db2.gz WXBZBTQBDSEDDL-QGZVFWFLSA-N 0 0 479.955 4.980 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164798570 721593367 /nfs/dbraw/zinc/59/33/67/721593367.db2.gz KCWRZZVSTQYDOL-UZUQRXQVSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803457 721593514 /nfs/dbraw/zinc/59/35/14/721593514.db2.gz WHSCQRIEFOGFKW-QGZVFWFLSA-N 0 0 479.955 4.980 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164801579 721599906 /nfs/dbraw/zinc/59/99/06/721599906.db2.gz PCSCLDIBJBQSKQ-UHFFFAOYSA-N 0 0 454.308 4.625 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798802 721600911 /nfs/dbraw/zinc/60/09/11/721600911.db2.gz GIJSMTSJSVFORY-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164797443 721601642 /nfs/dbraw/zinc/60/16/42/721601642.db2.gz AIZVVTCQKUALRD-GCJKJVERSA-N 0 0 475.927 4.857 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164798498 721604028 /nfs/dbraw/zinc/60/40/28/721604028.db2.gz HBDMEDWMTLADEL-KRWDZBQOSA-N 0 0 474.939 4.925 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164802626 721605595 /nfs/dbraw/zinc/60/55/95/721605595.db2.gz RYZDMNXXUSJPBU-IBGZPJMESA-N 0 0 455.292 4.687 20 0 JJADRN Cc1nc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc(Cl)c1C ZINC001164801378 721605755 /nfs/dbraw/zinc/60/57/55/721605755.db2.gz QGJBGDZEQAFURK-HXUWFJFHSA-N 0 0 484.334 4.699 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)c1 ZINC001165010788 721691498 /nfs/dbraw/zinc/69/14/98/721691498.db2.gz XFTHGIUBKNJWRZ-DHUIEDIVSA-N 0 0 482.984 4.800 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009034 721691924 /nfs/dbraw/zinc/69/19/24/721691924.db2.gz NHXKWHINLGNKAR-ZOUOIUENSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009722 721692252 /nfs/dbraw/zinc/69/22/52/721692252.db2.gz QZARXUAEGXCEPL-BVZALQNUSA-N 0 0 476.955 4.653 20 0 JJADRN C[C@@H]1CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007881 721692503 /nfs/dbraw/zinc/69/25/03/721692503.db2.gz GGCXIPIAIJAWBX-OWDMVUQNSA-N 0 0 487.334 4.611 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009706 721692525 /nfs/dbraw/zinc/69/25/25/721692525.db2.gz QWEYFSNCENYZOZ-ICPLQIHGSA-N 0 0 476.955 4.653 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008375 721693519 /nfs/dbraw/zinc/69/35/19/721693519.db2.gz ISGBSDKYAZXUNS-XLHILCRZSA-N 0 0 476.955 4.566 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165011338 721698617 /nfs/dbraw/zinc/69/86/17/721698617.db2.gz RHXGBCXLOXRJRK-UHFFFAOYSA-N 0 0 460.960 4.789 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165009546 721700971 /nfs/dbraw/zinc/70/09/71/721700971.db2.gz BAKZTTZRCCZSDE-UHFFFAOYSA-N 0 0 469.367 4.929 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)C2 ZINC001165010769 721707449 /nfs/dbraw/zinc/70/74/49/721707449.db2.gz MEYXHDMVUZWHJG-UHFFFAOYSA-N 0 0 479.991 4.931 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c(Cl)nn2)cc1 ZINC001165009489 721728198 /nfs/dbraw/zinc/72/81/98/721728198.db2.gz XKZHXONKPJQKBN-QFIPXVFZSA-N 0 0 464.944 4.578 20 0 JJADRN COc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)cc(Cl)n1 ZINC001164910505 721739838 /nfs/dbraw/zinc/73/98/38/721739838.db2.gz FMWNOTDQMPNYRX-YKSBVNFPSA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccc(F)c(Cl)n1)C[C@H]2c1ccccc1 ZINC001164912797 721740172 /nfs/dbraw/zinc/74/01/72/721740172.db2.gz QGOLARWDOFNFIO-FDDCHVKYSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cnc(Cl)c(F)c1)C[C@@H]2c1ccccc1 ZINC001164910846 721741104 /nfs/dbraw/zinc/74/11/04/721741104.db2.gz HVVSFWYJODEPEN-XXBNENTESA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C[C@@H]2c1ccccc1 ZINC001164913152 721742511 /nfs/dbraw/zinc/74/25/11/721742511.db2.gz UKRCWRVGKMLYMI-PXDATVDWSA-N 0 0 495.961 4.974 20 0 JJADRN CCOC(=O)c1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc2ccccc21 ZINC001164911545 721753674 /nfs/dbraw/zinc/75/36/74/721753674.db2.gz WNZILRDJBHZOLZ-UHFFFAOYSA-N 0 0 456.546 4.594 20 0 JJADRN CCOC(=O)c1cc2c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)[nH]c(C)c(C)c-2n1 ZINC001164911437 721757362 /nfs/dbraw/zinc/75/73/62/721757362.db2.gz VWWVDDYJGFSULO-UHFFFAOYSA-N 0 0 473.577 4.539 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164908991 721759904 /nfs/dbraw/zinc/75/99/04/721759904.db2.gz BKOQVEFJUZYEHN-UHFFFAOYSA-N 0 0 458.953 4.947 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001165017648 721770089 /nfs/dbraw/zinc/77/00/89/721770089.db2.gz SCUNAVPQJCIHBS-LRDDRELGSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)[C@H]2C1 ZINC001165018115 721771949 /nfs/dbraw/zinc/77/19/49/721771949.db2.gz SLAIITDMUNCBOU-CJNGLKHVSA-N 0 0 464.925 4.737 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001165020587 721772035 /nfs/dbraw/zinc/77/20/35/721772035.db2.gz YROLKOAVISYNAW-LPHOPBHVSA-N 0 0 458.896 4.676 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001165016211 721773497 /nfs/dbraw/zinc/77/34/97/721773497.db2.gz OMOVYYOPQKXREB-JXFKEZNVSA-N 0 0 488.922 4.685 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001165017024 721773611 /nfs/dbraw/zinc/77/36/11/721773611.db2.gz QPXZACBEFKYVSW-PXNSSMCTSA-N 0 0 472.923 4.984 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)[C@@H]2C1 ZINC001165016341 721773674 /nfs/dbraw/zinc/77/36/74/721773674.db2.gz PDSGFIVBSYARSQ-IFXJQAMLSA-N 0 0 476.886 4.815 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165015097 721773781 /nfs/dbraw/zinc/77/37/81/721773781.db2.gz IMTNKXJYLPVFJC-OXJNMPFZSA-N 0 0 488.922 4.685 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165016521 721783203 /nfs/dbraw/zinc/78/32/03/721783203.db2.gz DGDCPLZLRRBJOH-GIWBLDEGSA-N 0 0 480.987 4.588 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]2CN1c1cccnc1 ZINC001165025989 721792398 /nfs/dbraw/zinc/79/23/98/721792398.db2.gz XAFQIGIDAKOUEC-LIRRHRJNSA-N 0 0 458.871 4.580 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]2CN1c1cccnc1 ZINC001165022820 721792596 /nfs/dbraw/zinc/79/25/96/721792596.db2.gz OMMRVZWTHMGAGE-YWZLYKJASA-N 0 0 458.871 4.580 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1Cl ZINC001164915425 721802635 /nfs/dbraw/zinc/80/26/35/721802635.db2.gz KGIFDHRZQQBZSD-QGZVFWFLSA-N 0 0 461.916 4.534 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915047 721802928 /nfs/dbraw/zinc/80/29/28/721802928.db2.gz HHDFSQREGFREKL-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915491 721805203 /nfs/dbraw/zinc/80/52/03/721805203.db2.gz KXWPMZFJNPLNPW-MGPUTAFESA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916490 721806241 /nfs/dbraw/zinc/80/62/41/721806241.db2.gz PDXBATXYWDTHPG-XOBRGWDASA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916487 721806325 /nfs/dbraw/zinc/80/63/25/721806325.db2.gz PDXBATXYWDTHPG-JLTOFOAXSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164918053 721806363 /nfs/dbraw/zinc/80/63/63/721806363.db2.gz ZXLSAJMUWBLTDE-MGPUTAFESA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915068 721806950 /nfs/dbraw/zinc/80/69/50/721806950.db2.gz HQFFMNYDAFESCL-XMSQKQJNSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916150 721806953 /nfs/dbraw/zinc/80/69/53/721806953.db2.gz NZCOWYIRFUXMDI-YVEFUNNKSA-N 0 0 450.700 4.799 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916146 721807007 /nfs/dbraw/zinc/80/70/07/721807007.db2.gz NZCOWYIRFUXMDI-PXAZEXFGSA-N 0 0 450.700 4.799 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915092 721807315 /nfs/dbraw/zinc/80/73/15/721807315.db2.gz HWVFDQUIVZPKTQ-KNQAVFIVSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915376 721807396 /nfs/dbraw/zinc/80/73/96/721807396.db2.gz JJEMXICRNLDUFT-SIKLNZKXSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917370 721807778 /nfs/dbraw/zinc/80/77/78/721807778.db2.gz VTNPWQGRBNNPNJ-KNQAVFIVSA-N 0 0 458.896 4.554 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917342 721807799 /nfs/dbraw/zinc/80/77/99/721807799.db2.gz VCYJQRYQUTVGQW-JIPXPUAJSA-N 0 0 487.629 4.632 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164919509 721809383 /nfs/dbraw/zinc/80/93/83/721809383.db2.gz YTJYLKQRXQULTA-DKZVUGQWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164919588 721809443 /nfs/dbraw/zinc/80/94/43/721809443.db2.gz ZTZHYURRRULTKA-CORIIIEPSA-N 0 0 472.970 4.547 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)c2c1C ZINC001164916293 721810791 /nfs/dbraw/zinc/81/07/91/721810791.db2.gz GKNYBWMOMJOTJD-SFYKDHMMSA-N 0 0 499.706 4.561 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917549 721811088 /nfs/dbraw/zinc/81/10/88/721811088.db2.gz MZVSJMHDQVWDRI-URKNILKWSA-N 0 0 482.940 4.592 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164915856 721811090 /nfs/dbraw/zinc/81/10/90/721811090.db2.gz CTETZHROTSURIM-NBHGPNQESA-N 0 0 492.979 4.999 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC001164918467 721815632 /nfs/dbraw/zinc/81/56/32/721815632.db2.gz ZNFRJJBJGSQZRR-UHFFFAOYSA-N 0 0 486.023 4.805 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164918254 721816578 /nfs/dbraw/zinc/81/65/78/721816578.db2.gz KZVHUPWRXHHOLQ-UHFFFAOYSA-N 0 0 473.955 4.773 20 0 JJADRN CN(C(C)(C)C)C(F)(F)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)c1 ZINC001165020049 721833937 /nfs/dbraw/zinc/83/39/37/721833937.db2.gz BHWHGHVZIHUANJ-UHFFFAOYSA-N 0 0 454.930 4.864 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924588 721838013 /nfs/dbraw/zinc/83/80/13/721838013.db2.gz NIUWRBQUZIBYRX-SPLOXXLWSA-N 0 0 481.330 4.546 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001165022068 721843782 /nfs/dbraw/zinc/84/37/82/721843782.db2.gz OXQLUOSIURYESI-UHFFFAOYSA-N 0 0 466.960 4.670 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(Cl)nc3c2CCC3)CC1 ZINC001165031260 721845325 /nfs/dbraw/zinc/84/53/25/721845325.db2.gz ZPPCESNQIARVCZ-UHFFFAOYSA-N 0 0 465.972 4.887 20 0 JJADRN Fc1cnc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)C2)nc1 ZINC001164922063 721846422 /nfs/dbraw/zinc/84/64/22/721846422.db2.gz QBWDGTJYDULABY-QFIPXVFZSA-N 0 0 493.917 4.592 20 0 JJADRN Fc1cnc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)C2)nc1 ZINC001164922060 721846514 /nfs/dbraw/zinc/84/65/14/721846514.db2.gz QBWDGTJYDULABY-JOCHJYFZSA-N 0 0 493.917 4.592 20 0 JJADRN CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164934692 721894469 /nfs/dbraw/zinc/89/44/69/721894469.db2.gz SATVAJZLSWIWSL-HZPDHXFCSA-N 0 0 460.834 4.560 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]21)NC1CCC1 ZINC001164930526 721895678 /nfs/dbraw/zinc/89/56/78/721895678.db2.gz BXHQUHBHXCLNPL-QIJUGHKUSA-N 0 0 475.967 4.847 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928429 721899148 /nfs/dbraw/zinc/89/91/48/721899148.db2.gz OHUHITPSLGMHJQ-OAQYLSRUSA-N 0 0 479.314 4.948 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2nc4ccc(Cl)cc4c(-c4ccccc4)n2)CC3)n1 ZINC001164936831 721907880 /nfs/dbraw/zinc/90/78/80/721907880.db2.gz YQWDZZKNBPPPIF-UHFFFAOYSA-N 0 0 489.023 4.555 20 0 JJADRN Cc1sc2nc(-c3cccs3)nc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2c1C ZINC001164936455 721908005 /nfs/dbraw/zinc/90/80/05/721908005.db2.gz PTOIRZJUDYQTEB-UHFFFAOYSA-N 0 0 494.690 4.642 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)CC3)n1 ZINC001164935627 721910304 /nfs/dbraw/zinc/91/03/04/721910304.db2.gz MGQCIBKYXAVDGY-UHFFFAOYSA-N 0 0 494.030 4.933 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938088 721915073 /nfs/dbraw/zinc/91/50/73/721915073.db2.gz WDVPRAKWAGIRPU-UHFFFAOYSA-N 0 0 463.319 4.938 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)cnc2Cl)cc1 ZINC001164937296 721915756 /nfs/dbraw/zinc/91/57/56/721915756.db2.gz BCJRZHMAFPSUQG-UHFFFAOYSA-N 0 0 472.902 4.938 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164939563 721916005 /nfs/dbraw/zinc/91/60/05/721916005.db2.gz USOMRGLNZYCVAB-UHFFFAOYSA-N 0 0 484.938 4.807 20 0 JJADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN(C[C@@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043651 721926245 /nfs/dbraw/zinc/92/62/45/721926245.db2.gz ORMNSLUVFCVCIN-AWEZNQCLSA-N 0 0 476.877 4.662 20 0 JJADRN F[C@@]1(N2CC[C@H](c3ccncc3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165042674 721927919 /nfs/dbraw/zinc/92/79/19/721927919.db2.gz FQLREFKMRRNDQQ-FDDCHVKYSA-N 0 0 458.368 4.806 20 0 JJADRN F[C@@]1(N2CC[C@@H](c3ccncc3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165042688 721928034 /nfs/dbraw/zinc/92/80/34/721928034.db2.gz FQLREFKMRRNDQQ-WZONZLPQSA-N 0 0 458.368 4.806 20 0 JJADRN Clc1ccc2c(c1)nccc2N1CCN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001165043752 721939907 /nfs/dbraw/zinc/93/99/07/721939907.db2.gz FOQZLSOSTMEJCX-UHFFFAOYSA-N 0 0 471.008 4.563 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164941775 721949583 /nfs/dbraw/zinc/94/95/83/721949583.db2.gz ITBBYJQNMDTXDK-DNQXCXABSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164941774 721949724 /nfs/dbraw/zinc/94/97/24/721949724.db2.gz ITBBYJQNMDTXDK-BJKOFHAPSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164949613 721951890 /nfs/dbraw/zinc/95/18/90/721951890.db2.gz VBRFNPUJQSWYIM-WOJBJXKFSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C[C@H]21 ZINC001164947939 721956123 /nfs/dbraw/zinc/95/61/23/721956123.db2.gz RACLASBWCJQONO-NHCUHLMSSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C[C@@H]21 ZINC001164951618 721956527 /nfs/dbraw/zinc/95/65/27/721956527.db2.gz ZUZJBWRCQKPPIZ-OALUTQOASA-N 0 0 481.647 4.731 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@@H]21 ZINC001164950921 721959081 /nfs/dbraw/zinc/95/90/81/721959081.db2.gz XYFRAGGQPMAICI-XZOQPEGZSA-N 0 0 473.602 4.567 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@H]21 ZINC001164945446 721960273 /nfs/dbraw/zinc/96/02/73/721960273.db2.gz MLJNAWLLIRPTFV-KAYWLYCHSA-N 0 0 481.600 4.813 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc(C5CCCCC5)cc4)nn3)C[C@@H]21 ZINC001164943599 721961112 /nfs/dbraw/zinc/96/11/12/721961112.db2.gz IISQRDUGNBBPCD-RRPNLBNLSA-N 0 0 473.621 4.886 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c1 ZINC001164944875 721966855 /nfs/dbraw/zinc/96/68/55/721966855.db2.gz KCLGOKIGMYOXKF-TZIWHRDSSA-N 0 0 451.970 4.771 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]12 ZINC001164949809 721967429 /nfs/dbraw/zinc/96/74/29/721967429.db2.gz YUQDRTPLEYJTBX-QPPBQGQZSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]12 ZINC001164950283 721967607 /nfs/dbraw/zinc/96/76/07/721967607.db2.gz ZZGCAGVDVXXMBX-NZQKXSOJSA-N 0 0 456.924 4.597 20 0 JJADRN COC[C@]12COC[C@@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952889 721994751 /nfs/dbraw/zinc/99/47/51/721994751.db2.gz QUIGITXYXGYZFZ-BXKMTCNYSA-N 0 0 470.664 4.505 20 0 JJADRN CSc1ccc(C(F)(F)N2CCCn3cnc(COc4cccnc4)c3C2)nc1Cl ZINC001164949719 721997691 /nfs/dbraw/zinc/99/76/91/721997691.db2.gz GEFXHTQQKHPKQT-UHFFFAOYSA-N 0 0 451.930 4.583 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]21 ZINC001164952267 722003696 /nfs/dbraw/zinc/00/36/96/722003696.db2.gz MATCFURWBVCMNH-SFTDATJTSA-N 0 0 483.019 4.822 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001164951158 722005013 /nfs/dbraw/zinc/00/50/13/722005013.db2.gz HAKMXDQGMAHRPW-KGLIPLIRSA-N 0 0 450.320 4.591 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001164951160 722005037 /nfs/dbraw/zinc/00/50/37/722005037.db2.gz HAKMXDQGMAHRPW-UONOGXRCSA-N 0 0 450.320 4.591 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cs1 ZINC001164950695 722006571 /nfs/dbraw/zinc/00/65/71/722006571.db2.gz FHJDNFPNJCLDAA-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164952281 722006687 /nfs/dbraw/zinc/00/66/87/722006687.db2.gz MFJRMFGAOIDDKT-UHFFFAOYSA-N 0 0 493.949 4.862 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2ccnc(Cl)c2Cl)CC3)cs1 ZINC001164950680 722007019 /nfs/dbraw/zinc/00/70/19/722007019.db2.gz FFLHHVZDFSGQFK-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)n1 ZINC001164962144 722025652 /nfs/dbraw/zinc/02/56/52/722025652.db2.gz QCOQXXUKFLMNNX-PXNSSMCTSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)n1 ZINC001164962143 722025683 /nfs/dbraw/zinc/02/56/83/722025683.db2.gz QCOQXXUKFLMNNX-FXAWDEMLSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164964772 722025985 /nfs/dbraw/zinc/02/59/85/722025985.db2.gz YGNOBTOSEZXBGN-OXQOHEQNSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2ccnc(Cl)c2F)C3)n1 ZINC001164959009 722026080 /nfs/dbraw/zinc/02/60/80/722026080.db2.gz HJXCJFVFJGDOQK-NQIIRXRSSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2ccnc(Cl)c2F)C3)n1 ZINC001164959004 722026113 /nfs/dbraw/zinc/02/61/13/722026113.db2.gz HJXCJFVFJGDOQK-GHTZIAJQSA-N 0 0 455.908 4.715 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c(Cl)n1 ZINC001164962138 722026639 /nfs/dbraw/zinc/02/66/39/722026639.db2.gz QBICGYAHMYYEAV-UGKGYDQZSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2ccc(C)c(Cl)n2)C3)n1 ZINC001164959897 722026796 /nfs/dbraw/zinc/02/67/96/722026796.db2.gz JJOJIDAKYIWONR-UNMCSNQZSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2nc(Cl)ccc2CN2CCCC2)C3)n1 ZINC001164964996 722026968 /nfs/dbraw/zinc/02/69/68/722026968.db2.gz YMMMMBMRYFOGJI-ZEQKJWHPSA-N 0 0 471.045 4.627 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)n1 ZINC001164958069 722027217 /nfs/dbraw/zinc/02/72/17/722027217.db2.gz FKVJRZKFYNGNAJ-NFBKMPQASA-N 0 0 489.954 4.519 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164957506 722029470 /nfs/dbraw/zinc/02/94/70/722029470.db2.gz MMCLQUAVTSRNMU-MCIONIFRSA-N 0 0 468.690 4.936 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164960931 722029674 /nfs/dbraw/zinc/02/96/74/722029674.db2.gz VBTKTDHQBQDJTR-SBHAEUEKSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164958620 722029705 /nfs/dbraw/zinc/02/97/05/722029705.db2.gz OZZWIWRJAZQRMV-VAMGGRTRSA-N 0 0 476.886 4.691 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164962447 722033268 /nfs/dbraw/zinc/03/32/68/722033268.db2.gz XPHKHFOJXUFCGA-URXFXBBRSA-N 0 0 468.935 4.875 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164956315 722034825 /nfs/dbraw/zinc/03/48/25/722034825.db2.gz DVAVORQOWOYOOC-DHLKQENFSA-N 0 0 498.961 4.787 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3O2)n1 ZINC001164961146 722042485 /nfs/dbraw/zinc/04/24/85/722042485.db2.gz MROMGYBZQNIEMO-WTANOLMUSA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C)c5)c4)C[C@@H]3O2)n1 ZINC001164958501 722043314 /nfs/dbraw/zinc/04/33/14/722043314.db2.gz DSVLWGPWNIRSTF-HQRMLTQVSA-N 0 0 460.912 4.783 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)cc1 ZINC001164961186 722050583 /nfs/dbraw/zinc/05/05/83/722050583.db2.gz UTBHNSXIPXUXCL-UHFFFAOYSA-N 0 0 499.905 4.529 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]3C)c1 ZINC001164965998 722062954 /nfs/dbraw/zinc/06/29/54/722062954.db2.gz MYDUFMYOUKVIPK-CQSZACIVSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@@H]3C)c1 ZINC001164965853 722063075 /nfs/dbraw/zinc/06/30/75/722063075.db2.gz MCHABROTIQRCJW-CQSZACIVSA-N 0 0 483.350 4.612 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)[C@@H]3C)c1 ZINC001164965857 722063147 /nfs/dbraw/zinc/06/31/47/722063147.db2.gz MCMAERWVVOQFCK-OAHLLOKOSA-N 0 0 472.927 4.959 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164965197 722064176 /nfs/dbraw/zinc/06/41/76/722064176.db2.gz JHFKVQGSWOKBKM-OALUTQOASA-N 0 0 460.937 4.897 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164964403 722065191 /nfs/dbraw/zinc/06/51/91/722065191.db2.gz GIZMPOXRNPAVQD-RYUDHWBXSA-N 0 0 453.729 4.537 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164966658 722065571 /nfs/dbraw/zinc/06/55/71/722065571.db2.gz WMCPQICXBPCINP-ZWKOTPCHSA-N 0 0 476.936 4.777 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)c1 ZINC001164966273 722065976 /nfs/dbraw/zinc/06/59/76/722065976.db2.gz POTDYTDFDYRHLQ-MOPGFXCFSA-N 0 0 475.952 4.600 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164965476 722066055 /nfs/dbraw/zinc/06/60/55/722066055.db2.gz KFMXZQUQMHNGAX-HOTGVXAUSA-N 0 0 466.966 4.958 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164968123 722078327 /nfs/dbraw/zinc/07/83/27/722078327.db2.gz RJQIBDDAKKTRRD-UHFFFAOYSA-N 0 0 477.342 4.941 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968572 722081991 /nfs/dbraw/zinc/08/19/91/722081991.db2.gz CJLGUQOEJVMOCN-IRLDBZIGSA-N 0 0 489.925 4.826 20 0 JJADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CCO2 ZINC001164970344 722084181 /nfs/dbraw/zinc/08/41/81/722084181.db2.gz WTWXZSJTLFIEIH-XMMPIXPASA-N 0 0 486.950 4.713 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001164971511 722084662 /nfs/dbraw/zinc/08/46/62/722084662.db2.gz JCHVEKMICISOHA-CLLJXQQHSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@H]2C1 ZINC001164976801 722084888 /nfs/dbraw/zinc/08/48/88/722084888.db2.gz WWXXOPRUASMAGY-CHWSQXEVSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]2C1 ZINC001164971499 722085741 /nfs/dbraw/zinc/08/57/41/722085741.db2.gz IWMBGPJRKFXIMT-REPLKXPHSA-N 0 0 475.967 4.990 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@@H]2C1 ZINC001164971498 722085802 /nfs/dbraw/zinc/08/58/02/722085802.db2.gz IWMBGPJRKFXIMT-OALUTQOASA-N 0 0 475.967 4.990 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164972404 722091290 /nfs/dbraw/zinc/09/12/90/722091290.db2.gz HCMRDGUIVTVGGW-JOCHJYFZSA-N 0 0 494.083 4.601 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)nc(Cl)c2c1 ZINC001164980068 722091916 /nfs/dbraw/zinc/09/19/16/722091916.db2.gz LIHOCMJBOLBYGA-INIZCTEOSA-N 0 0 478.971 4.750 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]21 ZINC001164976399 722097820 /nfs/dbraw/zinc/09/78/20/722097820.db2.gz CUNWMWNWESMDBQ-IRFCIJBXSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]21 ZINC001164982823 722097937 /nfs/dbraw/zinc/09/79/37/722097937.db2.gz PGELQUGWHWOKBQ-RZQQEMMASA-N 0 0 489.979 4.949 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001164974569 722097947 /nfs/dbraw/zinc/09/79/47/722097947.db2.gz AIVDJVOOPNDMRS-SXWKCWPCSA-N 0 0 483.950 4.888 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3NC(=O)N(C)C)n1 ZINC001164979149 722097991 /nfs/dbraw/zinc/09/79/91/722097991.db2.gz HFLAEYVBPHHHOD-ZFGGDYGUSA-N 0 0 492.693 4.696 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]21 ZINC001164979049 722098222 /nfs/dbraw/zinc/09/82/22/722098222.db2.gz GXWRZZWCDYFUEC-MIZPHKNDSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]21 ZINC001164981720 722098254 /nfs/dbraw/zinc/09/82/54/722098254.db2.gz MAYOIUPEUOMVAP-BHIFYINESA-N 0 0 483.950 4.888 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164972225 722160736 /nfs/dbraw/zinc/16/07/36/722160736.db2.gz HEHOJGYRPDBOBX-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C2)C1=O ZINC001164981836 722162708 /nfs/dbraw/zinc/16/27/08/722162708.db2.gz SMFWMRYKCMJNSI-DEOSSOPVSA-N 0 0 469.919 4.983 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164981208 722164517 /nfs/dbraw/zinc/16/45/17/722164517.db2.gz PMFKMAHLXNMYOG-WZONZLPQSA-N 0 0 499.986 4.576 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164982568 722165245 /nfs/dbraw/zinc/16/52/45/722165245.db2.gz WNIKWZFWYVKSGH-KKSFZXQISA-N 0 0 452.933 4.558 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164973303 722166072 /nfs/dbraw/zinc/16/60/72/722166072.db2.gz AYTHHIDQCXLNFQ-DYESRHJHSA-N 0 0 473.948 4.707 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164974641 722170141 /nfs/dbraw/zinc/17/01/41/722170141.db2.gz GMMDOLIPEYKIID-GUDVDZBRSA-N 0 0 463.912 4.553 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164977990 722170596 /nfs/dbraw/zinc/17/05/96/722170596.db2.gz OWSWVHUTSSNBEX-NJYVYQBISA-N 0 0 489.950 4.943 20 0 JJADRN COc1cccc2c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(Cl)nc12 ZINC001164988012 722173956 /nfs/dbraw/zinc/17/39/56/722173956.db2.gz QGPNPSJKZIERFV-AZUAARDMSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)CC[C@@H]32)cs1 ZINC001164985735 722175423 /nfs/dbraw/zinc/17/54/23/722175423.db2.gz IKJUBFJYOSCOSE-DLBZAZTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4Cl)CC[C@@H]32)cs1 ZINC001164984946 722175610 /nfs/dbraw/zinc/17/56/10/722175610.db2.gz HEIAASZUDIGWDG-IRXDYDNUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)CC[C@@H]32)cs1 ZINC001164989600 722176200 /nfs/dbraw/zinc/17/62/00/722176200.db2.gz ULTKMCNEDZHCIP-HOTGVXAUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[C@@H]32)cs1 ZINC001164988975 722178425 /nfs/dbraw/zinc/17/84/25/722178425.db2.gz STCNLKAOHAKYJN-JKSUJKDBSA-N 0 0 486.013 4.524 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]32)cs1 ZINC001164989979 722180839 /nfs/dbraw/zinc/18/08/39/722180839.db2.gz MZPIVBHWZHLQBY-RPBOFIJWSA-N 0 0 498.656 4.840 20 0 JJADRN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164987172 722181329 /nfs/dbraw/zinc/18/13/29/722181329.db2.gz HEGOLRUOTSOCBC-IFMALSPDSA-N 0 0 459.015 4.532 20 0 JJADRN COc1ccc2c(cc(Cl)nc2N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1 ZINC001164990505 722184092 /nfs/dbraw/zinc/18/40/92/722184092.db2.gz NRIPCHVKLOJTPC-NHCUHLMSSA-N 0 0 459.015 4.532 20 0 JJADRN COc1ccc2c(cc(Cl)nc2N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164990504 722184131 /nfs/dbraw/zinc/18/41/31/722184131.db2.gz NRIPCHVKLOJTPC-LEWJYISDSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccsc5)nc5ccccc54)CC[C@@H]32)cs1 ZINC001164985722 722185334 /nfs/dbraw/zinc/18/53/34/722185334.db2.gz CBWMTOHMQAKDQR-XZOQPEGZSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(-c5ccsc5)nc5ccccc54)CC[C@@H]32)cs1 ZINC001164985718 722185344 /nfs/dbraw/zinc/18/53/44/722185344.db2.gz CBWMTOHMQAKDQR-GOTSBHOMSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC[C@H]32)cs1 ZINC001164987382 722185477 /nfs/dbraw/zinc/18/54/77/722185477.db2.gz KCVLMMAVQJPSDF-RTWAWAEBSA-N 0 0 470.042 4.740 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@@H]32)cs1 ZINC001164992901 722185781 /nfs/dbraw/zinc/18/57/81/722185781.db2.gz XTKLUSVCIPBKFE-IZZNHLLZSA-N 0 0 471.630 4.932 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990284 722186269 /nfs/dbraw/zinc/18/62/69/722186269.db2.gz RDUUEZGBRTYAMO-ZOCIIQOWSA-N 0 0 450.052 4.587 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4F)CC[C@@H]32)cs1 ZINC001164985844 722186424 /nfs/dbraw/zinc/18/64/24/722186424.db2.gz CKZOQDDQIFBJRN-RXVVDRJESA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)Sc4ccc(Cl)nc4)CC[C@H]32)cs1 ZINC001164992586 722186566 /nfs/dbraw/zinc/18/65/66/722186566.db2.gz XMHSUPUENSQZEE-SJORKVTESA-N 0 0 461.003 4.508 20 0 JJADRN COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164988538 722186831 /nfs/dbraw/zinc/18/68/31/722186831.db2.gz MNIQIVROFFNDKK-FPOVZHCZSA-N 0 0 459.015 4.532 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]12 ZINC001164988322 722187051 /nfs/dbraw/zinc/18/70/51/722187051.db2.gz DNSLYNGRLWNKCP-JTHBVZDNSA-N 0 0 491.991 4.615 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]12 ZINC001164993367 722187072 /nfs/dbraw/zinc/18/70/72/722187072.db2.gz ZAQUODHAIXKDNA-OFNKIYASSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164990621 722187515 /nfs/dbraw/zinc/18/75/15/722187515.db2.gz MDMCHLMRRQKICN-LJQANCHMSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164988297 722187520 /nfs/dbraw/zinc/18/75/20/722187520.db2.gz DFHLVDCQLDYZPP-SFHVURJKSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164989726 722187553 /nfs/dbraw/zinc/18/75/53/722187553.db2.gz JKEVPZFGFKCGKV-GOSISDBHSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164989717 722187802 /nfs/dbraw/zinc/18/78/02/722187802.db2.gz JGFVOGMNSLSHCM-LJQANCHMSA-N 0 0 496.961 4.582 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164989716 722187821 /nfs/dbraw/zinc/18/78/21/722187821.db2.gz JGFVOGMNSLSHCM-IBGZPJMESA-N 0 0 496.961 4.582 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC1)C(=O)N2 ZINC001164992247 722187849 /nfs/dbraw/zinc/18/78/49/722187849.db2.gz YTHQHJIAOPKTLH-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC1)C(=O)N2 ZINC001164989215 722187900 /nfs/dbraw/zinc/18/79/00/722187900.db2.gz AEISQXNCGMCILB-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC1)C(=O)N2 ZINC001164991316 722187967 /nfs/dbraw/zinc/18/79/67/722187967.db2.gz PAFCSVSYKQJVOB-UHFFFAOYSA-N 0 0 488.966 4.786 20 0 JJADRN O=C(c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995396 722209044 /nfs/dbraw/zinc/20/90/44/722209044.db2.gz NOHDVPYYNJTSDT-VWLOTQADSA-N 0 0 456.993 4.745 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)[C@H]2C1 ZINC001164998252 722214624 /nfs/dbraw/zinc/21/46/24/722214624.db2.gz VIKSYCYQXSZZBZ-UYHISHBKSA-N 0 0 458.336 4.595 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)[C@@H]2C1 ZINC001164995561 722216436 /nfs/dbraw/zinc/21/64/36/722216436.db2.gz JREVDQUYVQAEJV-VHKYSDTDSA-N 0 0 467.919 4.594 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@@H]43)cnc2Cl)c1 ZINC001164997800 722217522 /nfs/dbraw/zinc/21/75/22/722217522.db2.gz RXAZQNVBTPCGEP-JRGCBEDISA-N 0 0 463.956 4.764 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccccc21 ZINC001164998592 722220631 /nfs/dbraw/zinc/22/06/31/722220631.db2.gz KCZINSOJDOHVDN-UHFFFAOYSA-N 0 0 461.915 4.880 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)c2ccccc21 ZINC001164998257 722220909 /nfs/dbraw/zinc/22/09/09/722220909.db2.gz HSLABSTXROYBAY-UHFFFAOYSA-N 0 0 495.961 4.685 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164998384 722221129 /nfs/dbraw/zinc/22/11/29/722221129.db2.gz JCDPWQCMLCYDCR-SFHVURJKSA-N 0 0 467.347 4.908 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001165000865 722221392 /nfs/dbraw/zinc/22/13/92/722221392.db2.gz ZWZYMYGUURVDRM-OAQYLSRUSA-N 0 0 489.950 4.647 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164999523 722221446 /nfs/dbraw/zinc/22/14/46/722221446.db2.gz SVLWXTTWIGMTFO-NRFANRHFSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001165000328 722221606 /nfs/dbraw/zinc/22/16/06/722221606.db2.gz WLYWPPZUMWDUFL-OAQYLSRUSA-N 0 0 483.950 4.803 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164996884 722221622 /nfs/dbraw/zinc/22/16/22/722221622.db2.gz BPJRARQUQVFPNJ-OAQYLSRUSA-N 0 0 483.950 4.803 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164996752 722221680 /nfs/dbraw/zinc/22/16/80/722221680.db2.gz AFEDELYFSZITDX-OAQYLSRUSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001165000324 722221719 /nfs/dbraw/zinc/22/17/19/722221719.db2.gz WLYWPPZUMWDUFL-NRFANRHFSA-N 0 0 483.950 4.803 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001165000308 722221735 /nfs/dbraw/zinc/22/17/35/722221735.db2.gz WFTSLYUCJGCSQJ-OAQYLSRUSA-N 0 0 472.967 4.744 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164999010 722225196 /nfs/dbraw/zinc/22/51/96/722225196.db2.gz GQSDBINFMQKULV-FGZHOGPDSA-N 0 0 494.945 4.673 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)n1 ZINC001164998418 722227030 /nfs/dbraw/zinc/22/70/30/722227030.db2.gz BRSQECAFOPSYTN-ZDUSSCGKSA-N 0 0 466.747 4.801 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)n1 ZINC001165000152 722227451 /nfs/dbraw/zinc/22/74/51/722227451.db2.gz QXRPKWUKNKLCRX-HXUWFJFHSA-N 0 0 488.970 4.864 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001165001208 722247750 /nfs/dbraw/zinc/24/77/50/722247750.db2.gz ONPSGTWVHMZSCE-UHFFFAOYSA-N 0 0 491.285 4.680 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001165000750 722248087 /nfs/dbraw/zinc/24/80/87/722248087.db2.gz KKTJVWLGLXLGRR-UHFFFAOYSA-N 0 0 474.682 4.785 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001165002505 722248127 /nfs/dbraw/zinc/24/81/27/722248127.db2.gz ZHPVKNUYIZRCDS-UHFFFAOYSA-N 0 0 488.907 4.601 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164999735 722248153 /nfs/dbraw/zinc/24/81/53/722248153.db2.gz BDCJUNIFJCHXTC-UHFFFAOYSA-N 0 0 482.878 4.540 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CCO2 ZINC001165001757 722249246 /nfs/dbraw/zinc/24/92/46/722249246.db2.gz UNAFHOVQNFCIIF-NRFANRHFSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CCO2 ZINC001165001728 722249391 /nfs/dbraw/zinc/24/93/91/722249391.db2.gz UFPOOQFQAICICM-OAQYLSRUSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001165002113 722250265 /nfs/dbraw/zinc/25/02/65/722250265.db2.gz WMDQKGGBOKTXQA-JOCHJYFZSA-N 0 0 477.895 4.645 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001165002114 722250280 /nfs/dbraw/zinc/25/02/80/722250280.db2.gz WMDQKGGBOKTXQA-QFIPXVFZSA-N 0 0 477.895 4.645 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CC[C@H](OCC3CC3)[C@H]2Cc2ccccc2)cnc1Cl ZINC001165005924 722271195 /nfs/dbraw/zinc/27/11/95/722271195.db2.gz KLDWRIYXMOUEJZ-UXHICEINSA-N 0 0 450.913 4.683 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1Cl ZINC001165007338 722271456 /nfs/dbraw/zinc/27/14/56/722271456.db2.gz VBJOZQQXVWAWIU-RBUKOAKNSA-N 0 0 450.913 4.683 20 0 JJADRN c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001165006083 722271581 /nfs/dbraw/zinc/27/15/81/722271581.db2.gz LSIFAAHKNCPAKE-VSGBNLITSA-N 0 0 454.618 4.652 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165005802 722271783 /nfs/dbraw/zinc/27/17/83/722271783.db2.gz KETLMPIDDIONIY-OALUTQOASA-N 0 0 450.913 4.683 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H](OCC4CC4)[C@@H]3Cc3ccccc3)c2c1C ZINC001165005691 722272096 /nfs/dbraw/zinc/27/20/96/722272096.db2.gz ISLSCPYERMOSJS-ZEQRLZLVSA-N 0 0 492.689 4.757 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2nc(Cl)c4ccccc4n2)CC3)cs1 ZINC001165005965 722272331 /nfs/dbraw/zinc/27/23/31/722272331.db2.gz KSHLZOLSLKCIMS-INIZCTEOSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc4c2CCC4)CC3)cs1 ZINC001165010265 722273224 /nfs/dbraw/zinc/27/32/24/722273224.db2.gz VCFXMWJDUQSWAL-MRXNPFEDSA-N 0 0 469.985 4.878 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010747 722273617 /nfs/dbraw/zinc/27/36/17/722273617.db2.gz WUTSSQCVETXYOH-FQWGINHLSA-N 0 0 493.967 4.687 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010943 722273747 /nfs/dbraw/zinc/27/37/47/722273747.db2.gz XZCRRPBYCCUEEB-VOWSPCBNSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007161 722273958 /nfs/dbraw/zinc/27/39/58/722273958.db2.gz BUDGHDGVHGULAK-OFSQETHSSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009585 722274484 /nfs/dbraw/zinc/27/44/84/722274484.db2.gz QAWFUDGGKMABNR-XLHILCRZSA-N 0 0 487.938 4.626 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)c1ccc(I)cc1 ZINC001436786426 1065440766 /nfs/dbraw/zinc/44/07/66/1065440766.db2.gz OCDLLPQVCORVFH-UHFFFAOYSA-N 0 0 450.501 4.637 20 0 JJADRN O=C(Nc1ccc(O)c(Cl)c1)c1cccc(Br)c1I ZINC001446468413 1066706723 /nfs/dbraw/zinc/70/67/23/1066706723.db2.gz SVRFKENQBXBFLW-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1Cc1ccc(C)cc1F ZINC001545851359 1064261824 /nfs/dbraw/zinc/26/18/24/1064261824.db2.gz CAKKTGNHXUALAV-JTSKRJEESA-N 0 0 485.629 4.720 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359713562 1064261935 /nfs/dbraw/zinc/26/19/35/1064261935.db2.gz QLUHWJFPICDCKL-GOSISDBHSA-N 0 0 465.976 4.843 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCc1ccccc1C ZINC001545851685 1064262322 /nfs/dbraw/zinc/26/23/22/1064262322.db2.gz HVIFONDSEZFRCS-CVDCTZTESA-N 0 0 481.666 4.776 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CCc1ccccc1C ZINC001545851684 1064262401 /nfs/dbraw/zinc/26/24/01/1064262401.db2.gz HVIFONDSEZFRCS-AUSIDOKSSA-N 0 0 481.666 4.776 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001359714310 1064262329 /nfs/dbraw/zinc/26/23/29/1064262329.db2.gz RTJNRATVDYLODM-UHFFFAOYSA-N 0 0 462.013 4.861 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N[C@@H]2CCC(C)(C)C2)n1-c1ccccc1 ZINC001545853259 1064262763 /nfs/dbraw/zinc/26/27/63/1064262763.db2.gz JCCOMAFYLYNYFR-LJQANCHMSA-N 0 0 450.608 4.942 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359714749 1064262844 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ASGJMONQFSADQP-OYRHEFFESA-N 0 0 455.672 4.531 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545855657 1064264531 /nfs/dbraw/zinc/26/45/31/1064264531.db2.gz ZEAUQNSRAFXTSI-IYBDPMFKSA-N 0 0 483.604 4.902 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545855655 1064264568 /nfs/dbraw/zinc/26/45/68/1064264568.db2.gz ZEAUQNSRAFXTSI-HOTGVXAUSA-N 0 0 483.604 4.902 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CCC=C(C)C ZINC001545856684 1064264921 /nfs/dbraw/zinc/26/49/21/1064264921.db2.gz GHKYCMIKNYEIEX-UHFFFAOYSA-N 0 0 460.420 4.836 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1C[C@@H](C)c1nc(C)cs1 ZINC001545856933 1064265365 /nfs/dbraw/zinc/26/53/65/1064265365.db2.gz LENUCEXZRXYHDE-NVXWUHKLSA-N 0 0 452.628 4.846 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001359716803 1064265598 /nfs/dbraw/zinc/26/55/98/1064265598.db2.gz VNGFSKBCTWKZSJ-JOCHJYFZSA-N 0 0 479.572 4.716 20 0 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482.673 4.834 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@H](OC)c1ccc(F)cc1 ZINC001545862943 1064271490 /nfs/dbraw/zinc/27/14/90/1064271490.db2.gz XLSTVASQGDWSHG-QFIPXVFZSA-N 0 0 459.610 4.596 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CCCN1CCc2ccccc21 ZINC001545864027 1064271857 /nfs/dbraw/zinc/27/18/57/1064271857.db2.gz IAVRLMABPYVVAS-UHFFFAOYSA-N 0 0 466.674 4.522 20 0 JJADRN O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(OC(F)F)c(Br)c1 ZINC001545865119 1064272598 /nfs/dbraw/zinc/27/25/98/1064272598.db2.gz OUMHKTZPRWWZKZ-UHFFFAOYSA-N 0 0 454.315 4.756 20 0 JJADRN CC(C)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359726234 1064272990 /nfs/dbraw/zinc/27/29/90/1064272990.db2.gz GRZUVSNPKOIWAS-OALUTQOASA-N 0 0 451.681 4.626 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1Cc1ccsc1Br ZINC001359725153 1064273016 /nfs/dbraw/zinc/27/30/16/1064273016.db2.gz AVGYZKUWLUZVNC-SFHVURJKSA-N 0 0 477.428 4.558 20 0 JJADRN CC(C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1Cc1ccc(I)cc1 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0 0 490.027 4.826 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1CCc1ccc(Br)cc1 ZINC001545867374 1064276921 /nfs/dbraw/zinc/27/69/21/1064276921.db2.gz AQCBHKYNUNWYIO-OXJNMPFZSA-N 0 0 476.463 4.827 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCC2)C1 ZINC001359728850 1064277327 /nfs/dbraw/zinc/27/73/27/1064277327.db2.gz MLDJAVZDLJKPQM-HNNXBMFYSA-N 0 0 453.450 4.947 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSc2ccccc2)C1 ZINC001359729055 1064277922 /nfs/dbraw/zinc/27/79/22/1064277922.db2.gz RFKNLVLSPBMJAM-LJQANCHMSA-N 0 0 450.612 4.590 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1coc(-c2ccc(C)cc2)n1 ZINC001545868024 1064277961 /nfs/dbraw/zinc/27/79/61/1064277961.db2.gz KNARMEOCUWFCKY-OALUTQOASA-N 0 0 464.614 4.691 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001359729138 1064278322 /nfs/dbraw/zinc/27/83/22/1064278322.db2.gz SVVXPMBDUVZGAC-DNVCBOLYSA-N 0 0 492.437 4.634 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccsc2)C1 ZINC001359729206 1064278552 /nfs/dbraw/zinc/27/85/52/1064278552.db2.gz UUARWLXCOPWMPR-YCRPNKLZSA-N 0 0 478.460 4.877 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545868261 1064278785 /nfs/dbraw/zinc/27/87/85/1064278785.db2.gz NXPVJGPTOKYPSX-RBUKOAKNSA-N 0 0 492.624 4.572 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001359729277 1064279110 /nfs/dbraw/zinc/27/91/10/1064279110.db2.gz WHQXLGMZSGZHGP-UXHICEINSA-N 0 0 476.712 4.753 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545868325 1064279434 /nfs/dbraw/zinc/27/94/34/1064279434.db2.gz OWJPKFSQJBFRAS-WAOWUJCRSA-N 0 0 459.610 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCCOc1ccc(C)cc1 ZINC001545868268 1064279486 /nfs/dbraw/zinc/27/94/86/1064279486.db2.gz NZLFKBIYVMCYMK-OAQYLSRUSA-N 0 0 467.658 4.991 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1CCC1=CCc2ccc(OC)cc21 ZINC001545868449 1064279500 /nfs/dbraw/zinc/27/95/00/1064279500.db2.gz QOOREEZLSSFOIM-HOYKHHGWSA-N 0 0 465.642 4.860 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(C(F)(F)F)CC2)C1 ZINC001359729420 1064279806 /nfs/dbraw/zinc/27/98/06/1064279806.db2.gz ZEKSNUVUROCJOM-JLAWEPINSA-N 0 0 455.569 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001545868619 1064279993 /nfs/dbraw/zinc/27/99/93/1064279993.db2.gz UDQRIJQMEIQEOD-KDOFPFPSSA-N 0 0 455.500 4.664 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001359729801 1064281023 /nfs/dbraw/zinc/28/10/23/1064281023.db2.gz HKJCAXLBGUFSTF-CQSZACIVSA-N 0 0 467.927 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cccc(OC)c3)CC2)n1C[C@H]1CCCCS1 ZINC001545870172 1064281263 /nfs/dbraw/zinc/28/12/63/1064281263.db2.gz IEDJEAAPTJGDKE-HSZRJFAPSA-N 0 0 485.698 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cccc(OC)c3)CC2)n1C[C@@H]1CCCCS1 ZINC001545870173 1064281351 /nfs/dbraw/zinc/28/13/51/1064281351.db2.gz IEDJEAAPTJGDKE-QHCPKHFHSA-N 0 0 485.698 4.875 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)C1 ZINC001359730354 1064281685 /nfs/dbraw/zinc/28/16/85/1064281685.db2.gz SSVDLWQZMFCFPO-HNNXBMFYSA-N 0 0 451.384 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CCOc1ccc(Cl)cn1 ZINC001545870125 1064282004 /nfs/dbraw/zinc/28/20/04/1064282004.db2.gz HGHUWIFHBKPOME-FQEVSTJZSA-N 0 0 497.043 4.626 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)C1 ZINC001359730874 1064282230 /nfs/dbraw/zinc/28/22/30/1064282230.db2.gz CSFKTDMRFYLAJR-AZUAARDMSA-N 0 0 475.659 4.569 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCSCCCO)C1 ZINC001359730620 1064282249 /nfs/dbraw/zinc/28/22/49/1064282249.db2.gz YDELTFVPKBRSOX-KRWDZBQOSA-N 0 0 467.477 4.696 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359730530 1064282272 /nfs/dbraw/zinc/28/22/72/1064282272.db2.gz WPASEGCUFQFFPE-PZJWPPBQSA-N 0 0 499.656 4.844 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1CC1(C)CCCC1 ZINC001545870181 1064282589 /nfs/dbraw/zinc/28/25/89/1064282589.db2.gz IGQWCQITTGIDGG-UHFFFAOYSA-N 0 0 467.658 4.653 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1CC1(CC)CCC1 ZINC001545870215 1064282840 /nfs/dbraw/zinc/28/28/40/1064282840.db2.gz IWEHKZSWSGRQGK-FQEVSTJZSA-N 0 0 453.631 4.779 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@H]2C)C1 ZINC001359730931 1064282917 /nfs/dbraw/zinc/28/29/17/1064282917.db2.gz DZFQARFKAGIMLV-CZYKHXBRSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 ZINC001359731036 1064283022 /nfs/dbraw/zinc/28/30/22/1064283022.db2.gz GLKTXWVUBMDSDN-IBGZPJMESA-N 0 0 450.631 4.527 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2C)C1 ZINC001359730930 1064283113 /nfs/dbraw/zinc/28/31/13/1064283113.db2.gz DZFQARFKAGIMLV-CBPXPLCBSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)C1 ZINC001359730899 1064283133 /nfs/dbraw/zinc/28/31/33/1064283133.db2.gz DBXKLGLVOHOFED-YPAWHYETSA-N 0 0 473.662 4.610 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1Cc1cnn(CC(C)C)c1C ZINC001545870266 1064283409 /nfs/dbraw/zinc/28/34/09/1064283409.db2.gz KDJHTCDVVWADOB-NRFANRHFSA-N 0 0 495.647 4.539 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359731080 1064283812 /nfs/dbraw/zinc/28/38/12/1064283812.db2.gz HFIXXYMPSPINAO-QIJUGHKUSA-N 0 0 461.601 4.973 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)C1 ZINC001359731410 1064283848 /nfs/dbraw/zinc/28/38/48/1064283848.db2.gz LTYHFVLTBZAETE-MOPGFXCFSA-N 0 0 483.604 4.504 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC001359731306 1064283925 /nfs/dbraw/zinc/28/39/25/1064283925.db2.gz JYNHFYJLJOERHT-IBGZPJMESA-N 0 0 459.516 4.925 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)C1 ZINC001359731412 1064284429 /nfs/dbraw/zinc/28/44/29/1064284429.db2.gz LTYHFVLTBZAETE-RBUKOAKNSA-N 0 0 483.604 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CCC1CCC(OC)CC1 ZINC001545870507 1064284573 /nfs/dbraw/zinc/28/45/73/1064284573.db2.gz PHYROVIBKAQSEF-HMXGKDEJSA-N 0 0 467.658 4.786 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545870703 1064285079 /nfs/dbraw/zinc/28/50/79/1064285079.db2.gz UDIYQRKFKAZPLG-HOFKKMOUSA-N 0 0 467.658 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(O)cc3)CC2)n1C[C@@H]1CCC[C@H]1C ZINC001545870612 1064285162 /nfs/dbraw/zinc/28/51/62/1064285162.db2.gz RTFXVIXEGYYNHI-NQIIRXRSSA-N 0 0 453.631 4.722 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C1 ZINC001359731989 1064285628 /nfs/dbraw/zinc/28/56/28/1064285628.db2.gz VXYBAJTYZGPMPT-YOEHRIQHSA-N 0 0 471.346 4.651 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCOCC(F)(F)C(F)F)C1 ZINC001359731995 1064285756 /nfs/dbraw/zinc/28/57/56/1064285756.db2.gz VYLKMPWTHJHZCR-QGZVFWFLSA-N 0 0 460.491 4.797 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1Cc1ccc(C)cc1SC ZINC001545870727 1064285673 /nfs/dbraw/zinc/28/56/73/1064285673.db2.gz UTYRZXIEXKRRSA-GOSISDBHSA-N 0 0 467.639 4.862 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001545870811 1064285790 /nfs/dbraw/zinc/28/57/90/1064285790.db2.gz XEBPPWGTPIFPNL-SFTDATJTSA-N 0 0 497.684 4.794 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001359732387 1064286351 /nfs/dbraw/zinc/28/63/51/1064286351.db2.gz CQEVNUSUMOQTGT-SFHVURJKSA-N 0 0 450.553 4.935 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359732381 1064286408 /nfs/dbraw/zinc/28/64/08/1064286408.db2.gz CNPDZGGITLARPY-GOTSBHOMSA-N 0 0 493.618 4.589 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001545871880 1064287004 /nfs/dbraw/zinc/28/70/04/1064287004.db2.gz BELPDDMNZZJUOP-SFHVURJKSA-N 0 0 481.666 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001545871948 1064287089 /nfs/dbraw/zinc/28/70/89/1064287089.db2.gz CWLDLODMCDPDRX-GCJKJVERSA-N 0 0 488.627 4.593 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001545871950 1064287214 /nfs/dbraw/zinc/28/72/14/1064287214.db2.gz CWLDLODMCDPDRX-XMSQKQJNSA-N 0 0 488.627 4.593 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCC(F)(F)CC2)C1 ZINC001359732826 1064287617 /nfs/dbraw/zinc/28/76/17/1064287617.db2.gz LNOQEHIQVLFBON-GOSISDBHSA-N 0 0 465.614 4.968 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCSC2)C1 ZINC001359732817 1064287686 /nfs/dbraw/zinc/28/76/86/1064287686.db2.gz LHUSDPQHMDPCRZ-KSFYIVLOSA-N 0 0 485.481 4.904 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1Cc1ccc(OC(C)C)cc1 ZINC001545872822 1064289025 /nfs/dbraw/zinc/28/90/25/1064289025.db2.gz ZSOBEXNQNTZQQK-UHFFFAOYSA-N 0 0 496.681 4.873 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2ccnn2)C1 ZINC001359733039 1064288980 /nfs/dbraw/zinc/28/89/80/1064288980.db2.gz QHSBTZWGDHQONB-SFHVURJKSA-N 0 0 460.051 4.778 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)C1 ZINC001359733122 1064289003 /nfs/dbraw/zinc/28/90/03/1064289003.db2.gz SBOIJBAOCHUNSW-MHECFPHRSA-N 0 0 458.603 4.838 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(Cl)c2)C1 ZINC001359733003 1064289148 /nfs/dbraw/zinc/28/91/48/1064289148.db2.gz PPUSQPRFPMIGTL-QGZVFWFLSA-N 0 0 476.021 4.983 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359733578 1064291023 /nfs/dbraw/zinc/29/10/23/1064291023.db2.gz BWRAEVNCVYPAOG-NVXWUHKLSA-N 0 0 495.466 4.584 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359733662 1064291052 /nfs/dbraw/zinc/29/10/52/1064291052.db2.gz DUQCUUVLRSZVNU-SIKLNZKXSA-N 0 0 464.452 4.992 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CSCCS2)C1 ZINC001359733474 1064291115 /nfs/dbraw/zinc/29/11/15/1064291115.db2.gz ZEVYXVIWZMMFMJ-HAGHYFMRSA-N 0 0 495.759 4.770 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC001545875264 1064291836 /nfs/dbraw/zinc/29/18/36/1064291836.db2.gz QXMMTIXJCLOQTE-QGZVFWFLSA-N 0 0 453.608 4.907 20 0 JJADRN COc1ccc2c(c1)CCCCN2C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001545875123 1064292201 /nfs/dbraw/zinc/29/22/01/1064292201.db2.gz MNFLECXFEOGQOQ-UHFFFAOYSA-N 0 0 454.523 4.618 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccccn2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359734225 1064293192 /nfs/dbraw/zinc/29/31/92/1064293192.db2.gz OPRYGZVOHPMMDZ-HLAWJBBLSA-N 0 0 454.619 4.610 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccn2C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359734285 1064293245 /nfs/dbraw/zinc/29/32/45/1064293245.db2.gz PZIZBJMKFJDSAG-ZJOUEHCJSA-N 0 0 456.635 4.554 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCCC1 ZINC001359734240 1064293275 /nfs/dbraw/zinc/29/32/75/1064293275.db2.gz OXDDSKOIYGZBPV-GOSISDBHSA-N 0 0 478.410 4.517 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCn1cc(Cl)cn1 ZINC001359734449 1064293829 /nfs/dbraw/zinc/29/38/29/1064293829.db2.gz TZGQLFKOWCGZJG-SFHVURJKSA-N 0 0 463.811 4.883 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1([S@](C)=O)CCC1 ZINC001359734426 1064293952 /nfs/dbraw/zinc/29/39/52/1064293952.db2.gz SUFSROSGBAWQNK-WRHNGFHOSA-N 0 0 465.461 4.634 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(S(C)(=O)=O)CCC1 ZINC001359734497 1064294072 /nfs/dbraw/zinc/29/40/72/1064294072.db2.gz 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JRCZMDVXQKUIFL-IBGZPJMESA-N 0 0 465.708 4.892 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001359755076 1064346484 /nfs/dbraw/zinc/34/64/84/1064346484.db2.gz RULOZAKEEOPJCM-GOTSBHOMSA-N 0 0 460.066 4.828 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCOC2CCCCCC2)CCO1 ZINC001359754995 1064346629 /nfs/dbraw/zinc/34/66/29/1064346629.db2.gz QCQZYYQPZYRKJB-DEOSSOPVSA-N 0 0 456.631 4.500 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001434920466 1064348085 /nfs/dbraw/zinc/34/80/85/1064348085.db2.gz KBFAYTBAITVRRA-LXFBAYGMSA-N 0 0 458.602 4.556 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CCO1 ZINC001359755558 1064349378 /nfs/dbraw/zinc/34/93/78/1064349378.db2.gz BXWLOKYALREQAT-LJQANCHMSA-N 0 0 481.453 4.635 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)CCS1 ZINC001359755483 1064349402 /nfs/dbraw/zinc/34/94/02/1064349402.db2.gz AUAOSFGLIIEYKB-LEWJYISDSA-N 0 0 486.686 4.566 20 0 JJADRN 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WGVZTJMFOFHNCG-LJQANCHMSA-N 0 0 473.470 4.904 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 ZINC001359756874 1064355645 /nfs/dbraw/zinc/35/56/45/1064355645.db2.gz ZMHPZVMLUCEETB-WIYYLYMNSA-N 0 0 470.415 4.800 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(CO[C@@H]4CCC[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001434928602 1064355753 /nfs/dbraw/zinc/35/57/53/1064355753.db2.gz JZZMJCRHEAUHOC-OQXOQRCNSA-N 0 0 450.579 4.949 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001359757142 1064356260 /nfs/dbraw/zinc/35/62/60/1064356260.db2.gz CXOROZQSZPILHM-YWZLYKJASA-N 0 0 488.410 4.700 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001434928938 1064356309 /nfs/dbraw/zinc/35/63/09/1064356309.db2.gz HATSJQFPWHNDQX-DEOSSOPVSA-N 0 0 458.514 4.900 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001359757181 1064356905 /nfs/dbraw/zinc/35/69/05/1064356905.db2.gz DRMIQDIFWVNGTR-DTDHJCGQSA-N 0 0 474.671 4.516 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001359757282 1064357029 /nfs/dbraw/zinc/35/70/29/1064357029.db2.gz FWTPDCBSAMVMRJ-UZLBHIALSA-N 0 0 483.426 4.507 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001434929619 1064357096 /nfs/dbraw/zinc/35/70/96/1064357096.db2.gz FTVDUXCBFXAWRQ-HXUWFJFHSA-N 0 0 453.341 4.521 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)COc1ccc(Br)cn1 ZINC001434931252 1064357414 /nfs/dbraw/zinc/35/74/14/1064357414.db2.gz YAGNEHPWKLOHQR-UHFFFAOYSA-N 0 0 455.308 4.705 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359757417 1064357616 /nfs/dbraw/zinc/35/76/16/1064357616.db2.gz HJTORTDTKRXLQV-UEXGIBASSA-N 0 0 450.986 4.662 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359757418 1064357674 /nfs/dbraw/zinc/35/76/74/1064357674.db2.gz HJTORTDTKRXLQV-WFXMLNOXSA-N 0 0 450.986 4.662 20 0 JJADRN COc1ccccc1C(C)(C)CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC001434930768 1064357732 /nfs/dbraw/zinc/35/77/32/1064357732.db2.gz AZEZHWLXEYYHHT-UHFFFAOYSA-N 0 0 455.190 4.857 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(F)(F)F ZINC001359757835 1064359149 /nfs/dbraw/zinc/35/91/49/1064359149.db2.gz LRHWBIQWTCRQFV-FXAWDEMLSA-N 0 0 462.520 4.581 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359758158 1064359835 /nfs/dbraw/zinc/35/98/35/1064359835.db2.gz QPZKFHUMIYDJIX-SFTDATJTSA-N 0 0 475.678 4.880 20 0 JJADRN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001545887438 1064359875 /nfs/dbraw/zinc/35/98/75/1064359875.db2.gz DVTYMWASYUVVLB-SFHVURJKSA-N 0 0 454.452 4.659 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1 ZINC001359758535 1064360526 /nfs/dbraw/zinc/36/05/26/1064360526.db2.gz VMLWODDYNNLBFH-SIKLNZKXSA-N 0 0 455.990 4.570 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC001434935355 1064361262 /nfs/dbraw/zinc/36/12/62/1064361262.db2.gz BAMXFNGTTZRLHP-INIZCTEOSA-N 0 0 450.992 4.972 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359759120 1064362024 /nfs/dbraw/zinc/36/20/24/1064362024.db2.gz DEIOLUDDYPHLHO-WIYYLYMNSA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)COc1ccc(C(C)(C)C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001434935982 1064362159 /nfs/dbraw/zinc/36/21/59/1064362159.db2.gz WTADDDBPMJZBPG-UHFFFAOYSA-N 0 0 459.608 4.779 20 0 JJADRN CCN(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434937450 1064362209 /nfs/dbraw/zinc/36/22/09/1064362209.db2.gz OCIDWXIIMIAUQN-UHFFFAOYSA-N 0 0 450.438 4.834 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359759298 1064362643 /nfs/dbraw/zinc/36/26/43/1064362643.db2.gz GFMOCLYCXORDKU-WHZJULEDSA-N 0 0 493.718 4.741 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001359759270 1064362687 /nfs/dbraw/zinc/36/26/87/1064362687.db2.gz FWZNSJFPMMLBFO-IERDGZPVSA-N 0 0 483.440 4.840 20 0 JJADRN COC[C@@]1(C(=O)NCc2ccc(-c3csc(C)n3)cc2)CCCCN1C(=O)OC(C)(C)C ZINC001434938158 1064362760 /nfs/dbraw/zinc/36/27/60/1064362760.db2.gz PCNRRUVLMDOZRF-XMMPIXPASA-N 0 0 459.612 4.541 20 0 JJADRN CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434938555 1064362796 /nfs/dbraw/zinc/36/27/96/1064362796.db2.gz WUIXUXFROPMPNT-DLBZAZTESA-N 0 0 476.314 4.899 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 ZINC001359759324 1064363302 /nfs/dbraw/zinc/36/33/02/1064363302.db2.gz GOBIFRVLMLNJJH-UGKGYDQZSA-N 0 0 490.048 4.623 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001434940294 1064363349 /nfs/dbraw/zinc/36/33/49/1064363349.db2.gz OJELMMDXAHAXHF-CQSZACIVSA-N 0 0 454.361 4.661 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359759497 1064364202 /nfs/dbraw/zinc/36/42/02/1064364202.db2.gz IOBVSIAZPQIUEQ-GGUMNFRJSA-N 0 0 455.553 4.801 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001434941718 1064364290 /nfs/dbraw/zinc/36/42/90/1064364290.db2.gz DDGRKKQADZPKLY-KSSFIOAISA-N 0 0 454.311 4.702 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 ZINC001434941952 1064364395 /nfs/dbraw/zinc/36/43/95/1064364395.db2.gz FDSIFIQMGGIZSX-QFIPXVFZSA-N 0 0 451.567 4.794 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CC(F)(F)C1 ZINC001359759687 1064364806 /nfs/dbraw/zinc/36/48/06/1064364806.db2.gz KVJYXFHVAMJTEZ-UTKZUKDTSA-N 0 0 452.521 4.539 20 0 JJADRN C[C@H](C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001434943056 1064364837 /nfs/dbraw/zinc/36/48/37/1064364837.db2.gz DROJPRNFHWSGIB-KRWDZBQOSA-N 0 0 458.539 4.855 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 ZINC001359759778 1064365664 /nfs/dbraw/zinc/36/56/64/1064365664.db2.gz LOQLUUMZECZMLF-HSALFYBXSA-N 0 0 497.631 4.893 20 0 JJADRN CSc1cc2c(cc1NC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)OCCO2 ZINC001434945971 1064366300 /nfs/dbraw/zinc/36/63/00/1064366300.db2.gz UAUJKKVSYRIUTJ-HOTGVXAUSA-N 0 0 450.601 4.982 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1)c1ccccc1 ZINC001434947000 1064367144 /nfs/dbraw/zinc/36/71/44/1064367144.db2.gz CQCCBICWCICDAB-QHCPKHFHSA-N 0 0 458.518 4.810 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccco1 ZINC001359759932 1064367316 /nfs/dbraw/zinc/36/73/16/1064367316.db2.gz MUGLXNZDRDAGBE-KXBFYZLASA-N 0 0 462.392 4.716 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1 ZINC001359760157 1064367895 /nfs/dbraw/zinc/36/78/95/1064367895.db2.gz QCQLYTPDWRZBKC-AEFFLSMTSA-N 0 0 456.484 4.843 20 0 JJADRN Cc1cnn(CC2CC2)c1NC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001434947755 1064368083 /nfs/dbraw/zinc/36/80/83/1064368083.db2.gz JLNKSBTXNBBRJO-AWEZNQCLSA-N 0 0 451.352 4.804 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)C ZINC001359760502 1064368765 /nfs/dbraw/zinc/36/87/65/1064368765.db2.gz VDAFKXWLUXSRFK-LPHOPBHVSA-N 0 0 466.468 4.980 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccncc2Br)cc1)N1CCCc2ccccc21 ZINC001434948329 1064369007 /nfs/dbraw/zinc/36/90/07/1064369007.db2.gz AYVJDOJMRDNUMZ-UHFFFAOYSA-N 0 0 450.336 4.618 20 0 JJADRN CCCC[C@H](NC(=O)[C@H]1CCOc2c(F)cccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948750 1064369733 /nfs/dbraw/zinc/36/97/33/1064369733.db2.gz GCVNEGDGXWBSOI-GMAHTHKFSA-N 0 0 453.558 4.606 20 0 JJADRN CCCC[C@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948893 1064369756 /nfs/dbraw/zinc/36/97/56/1064369756.db2.gz HECIAOBPDAPKBO-QFIPXVFZSA-N 0 0 453.583 4.540 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C ZINC001359760738 1064370083 /nfs/dbraw/zinc/37/00/83/1064370083.db2.gz YKYPNMBVIOZJDL-VQIMIIECSA-N 0 0 482.467 4.738 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C ZINC001359760736 1064370123 /nfs/dbraw/zinc/37/01/23/1064370123.db2.gz YKYPNMBVIOZJDL-LPHOPBHVSA-N 0 0 482.467 4.738 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359760859 1064370264 /nfs/dbraw/zinc/37/02/64/1064370264.db2.gz ZUGDPYSHPBIZIG-FDDCHVKYSA-N 0 0 457.981 4.754 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001359760891 1064370292 /nfs/dbraw/zinc/37/02/92/1064370292.db2.gz ABIAKBFCFQJLOS-JXFKEZNVSA-N 0 0 476.419 4.727 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc2sccc2nc1Cl ZINC001434950373 1064371183 /nfs/dbraw/zinc/37/11/83/1064371183.db2.gz VKWGKEXUWJZPHW-UHFFFAOYSA-N 0 0 450.847 4.504 20 0 JJADRN CCCC[C@H](NC(=O)Cc1c(C)nn(C(C)C)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950911 1064371953 /nfs/dbraw/zinc/37/19/53/1064371953.db2.gz XRGMMGGUNAGADQ-DEOSSOPVSA-N 0 0 453.631 4.537 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC001434950577 1064372017 /nfs/dbraw/zinc/37/20/17/1064372017.db2.gz XIXAESWXXNIZEX-GORDUTHDSA-N 0 0 454.253 4.947 20 0 JJADRN CCCC[C@H](NC(=O)c1cnc(OCC)c(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950707 1064372040 /nfs/dbraw/zinc/37/20/40/1064372040.db2.gz VQOLNNQJERLQMM-NRFANRHFSA-N 0 0 458.990 4.661 20 0 JJADRN O=C(Nc1ccnc(Sc2ccccn2)c1)c1cnn(-c2cccc(Br)c2)c1 ZINC001434950822 1064372120 /nfs/dbraw/zinc/37/21/20/1064372120.db2.gz OOUMIRGGXBPPMI-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cnn(C(F)F)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001434950915 1064372153 /nfs/dbraw/zinc/37/21/53/1064372153.db2.gz RJCYFQPHRRYOPM-IRLDBZIGSA-N 0 0 454.477 4.718 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359761454 1064372243 /nfs/dbraw/zinc/37/22/43/1064372243.db2.gz HYSUMPJTACUISW-SBHAEUEKSA-N 0 0 466.548 4.888 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359761456 1064372478 /nfs/dbraw/zinc/37/24/78/1064372478.db2.gz HYSUMPJTACUISW-ZVDOUQERSA-N 0 0 466.548 4.888 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001359761553 1064372509 /nfs/dbraw/zinc/37/25/09/1064372509.db2.gz IRZNOYLKWZATET-BVAGGSTKSA-N 0 0 483.701 4.519 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC001434951910 1064373594 /nfs/dbraw/zinc/37/35/94/1064373594.db2.gz FNELKBZEQBLVEK-FNFLUXIASA-N 0 0 450.623 4.760 20 0 JJADRN CCOc1cc2c(cc1OCC)CN(C(=O)c1nc(Br)sc1C1CC1)CC2 ZINC001434951958 1064373624 /nfs/dbraw/zinc/37/36/24/1064373624.db2.gz GFHMNHGRAPTYBF-UHFFFAOYSA-N 0 0 451.386 4.779 20 0 JJADRN CCc1cc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c2c(CC(C)(C)C)noc2n1 ZINC001434954339 1064373639 /nfs/dbraw/zinc/37/36/39/1064373639.db2.gz CPBHSGDOSPOPQF-UHFFFAOYSA-N 0 0 454.615 4.675 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)c2)C1 ZINC001434956075 1064374228 /nfs/dbraw/zinc/37/42/28/1064374228.db2.gz LVESZWCXPJTJHC-OALUTQOASA-N 0 0 458.599 4.692 20 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CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1 ZINC001359762711 1064376492 /nfs/dbraw/zinc/37/64/92/1064376492.db2.gz YMJWFEPPCAXFRR-JRFVFWCSSA-N 0 0 455.647 4.544 20 0 JJADRN COc1ccc(N(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C(C)C)cc1F ZINC001434960861 1064376508 /nfs/dbraw/zinc/37/65/08/1064376508.db2.gz FHPDNIFOZZGROG-SFHVURJKSA-N 0 0 459.587 4.528 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359762731 1064376695 /nfs/dbraw/zinc/37/66/95/1064376695.db2.gz YTWHTOZIZRNFJR-IPELMVKDSA-N 0 0 472.939 4.817 20 0 JJADRN O=C(CCCOc1cccc2ccccc21)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001434960963 1064376770 /nfs/dbraw/zinc/37/67/70/1064376770.db2.gz DKCNNFYCJIFTIW-XMMPIXPASA-N 0 0 452.982 4.842 20 0 JJADRN CC(C)OCCOCc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC001434961711 1064377339 /nfs/dbraw/zinc/37/73/39/1064377339.db2.gz JHNOPECNQOCREZ-AREMUKBSSA-N 0 0 458.558 4.964 20 0 JJADRN COCCOc1ccc(CC(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC001434961918 1064377496 /nfs/dbraw/zinc/37/74/96/1064377496.db2.gz HXAXHMCZMVMQDJ-SANMLTNESA-N 0 0 458.558 4.549 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cccc(Br)c1Cl ZINC001434962222 1064378157 /nfs/dbraw/zinc/37/81/57/1064378157.db2.gz LWDNDHZORGSVCI-KRWDZBQOSA-N 0 0 458.183 4.559 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C3CC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001359762997 1064378236 /nfs/dbraw/zinc/37/82/36/1064378236.db2.gz BTCGTHOSPLTFNM-QFIPXVFZSA-N 0 0 453.631 4.972 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001359763100 1064378314 /nfs/dbraw/zinc/37/83/14/1064378314.db2.gz DMXLWWAFLONAJG-LJQANCHMSA-N 0 0 496.656 4.634 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001434963951 1064378897 /nfs/dbraw/zinc/37/88/97/1064378897.db2.gz RBRZHFSSYHTTLD-UHFFFAOYSA-N 0 0 453.888 4.991 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001359763223 1064378896 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CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(=O)NCCOC)ccc1Cl ZINC001435020041 1064436902 /nfs/dbraw/zinc/43/69/02/1064436902.db2.gz VJXPXYWAVNAFHN-HNNXBMFYSA-N 0 0 456.892 4.942 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC001435020129 1064436998 /nfs/dbraw/zinc/43/69/98/1064436998.db2.gz VXUKZPFKPQRNRP-QGZVFWFLSA-N 0 0 450.482 4.680 20 0 JJADRN COc1ccc(C[C@H](NC(=O)Cn2nc(C(F)F)cc2C2CC2)c2ccccc2)cc1OC ZINC001435020207 1064437015 /nfs/dbraw/zinc/43/70/15/1064437015.db2.gz BTGQWXQKSCGWGG-IBGZPJMESA-N 0 0 455.505 4.816 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001435020367 1064437051 /nfs/dbraw/zinc/43/70/51/1064437051.db2.gz YVLWSICJHMSXQG-CLCXKQKWSA-N 0 0 458.521 4.871 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001435020016 1064437067 /nfs/dbraw/zinc/43/70/67/1064437067.db2.gz UGMDMUPEZOPRDX-OAHLLOKOSA-N 0 0 459.955 4.520 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001435020369 1064437745 /nfs/dbraw/zinc/43/77/45/1064437745.db2.gz YVLWSICJHMSXQG-KHYOSLBOSA-N 0 0 458.521 4.871 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)[C@@H](C)Cc1ccccc1F)CCC2 ZINC001435020434 1064437812 /nfs/dbraw/zinc/43/78/12/1064437812.db2.gz DZTQXRTZKGMJOK-KRWDZBQOSA-N 0 0 451.494 4.942 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC(CC)(CC)OC ZINC001545888219 1064438651 /nfs/dbraw/zinc/43/86/51/1064438651.db2.gz CQCNNLOOCFNZDF-INIZCTEOSA-N 0 0 477.600 4.804 20 0 JJADRN CCC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)N1CCc2sccc2C1 ZINC001435021592 1064439711 /nfs/dbraw/zinc/43/97/11/1064439711.db2.gz PVTVZWRMJROXFJ-FQEVSTJZSA-N 0 0 454.617 4.872 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359785789 1064439846 /nfs/dbraw/zinc/43/98/46/1064439846.db2.gz ZHNRPDSNQBFJAD-HXUWFJFHSA-N 0 0 489.636 4.778 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1cc(F)ccc1N1CCOCC1 ZINC001359786341 1064439897 /nfs/dbraw/zinc/43/98/97/1064439897.db2.gz UHBIYAAVOUXHTI-FQEVSTJZSA-N 0 0 457.638 4.906 20 0 JJADRN Cc1cc(C)c2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)CCC2 ZINC001435022532 1064440257 /nfs/dbraw/zinc/44/02/57/1064440257.db2.gz JJECAKCPNOUWBI-UHFFFAOYSA-N 0 0 454.636 4.807 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1C[C@@H]1CSCCS1 ZINC001359786730 1064440629 /nfs/dbraw/zinc/44/06/29/1064440629.db2.gz HMJXNNFZSPORLH-PKOBYXMFSA-N 0 0 452.715 4.572 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)Cc2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001359787171 1064441548 /nfs/dbraw/zinc/44/15/48/1064441548.db2.gz VVXQAXGBYUIGRR-GOSISDBHSA-N 0 0 478.709 4.631 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359787079 1064441633 /nfs/dbraw/zinc/44/16/33/1064441633.db2.gz TUTPXEBMLCPHAP-HXUWFJFHSA-N 0 0 475.634 4.559 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359786865 1064441655 /nfs/dbraw/zinc/44/16/55/1064441655.db2.gz LLZIBNVQCXAIFJ-JTHBVZDNSA-N 0 0 485.673 4.918 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)cc1OCc1ccc2ccccc2n1 ZINC001435025025 1064441973 /nfs/dbraw/zinc/44/19/73/1064441973.db2.gz GAHRQBSPCVENSO-KRWDZBQOSA-N 0 0 458.562 4.990 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)n1 ZINC001435024964 1064441998 /nfs/dbraw/zinc/44/19/98/1064441998.db2.gz QBKUVTZDKTWKOB-UHFFFAOYSA-N 0 0 456.340 4.514 20 0 JJADRN O=C(CCSc1ccc2c(c1)OCCO2)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001435024966 1064442102 /nfs/dbraw/zinc/44/21/02/1064442102.db2.gz FMFZXRVRYGBDEY-UHFFFAOYSA-N 0 0 452.551 4.746 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)cc1OCc1ccc2ccccc2n1 ZINC001435025026 1064443049 /nfs/dbraw/zinc/44/30/49/1064443049.db2.gz GAHRQBSPCVENSO-QGZVFWFLSA-N 0 0 458.562 4.990 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@H]1CCCSC1 ZINC001359788095 1064443234 /nfs/dbraw/zinc/44/32/34/1064443234.db2.gz VZMAXPKURONBII-MRXNPFEDSA-N 0 0 485.467 4.520 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359787981 1064443356 /nfs/dbraw/zinc/44/33/56/1064443356.db2.gz SZIVEZHHDWBXMG-HZPDHXFCSA-N 0 0 485.492 4.503 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001435026242 1064443850 /nfs/dbraw/zinc/44/38/50/1064443850.db2.gz SAKPEWSNAVQWFJ-IBGZPJMESA-N 0 0 452.498 4.925 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001359788291 1064443937 /nfs/dbraw/zinc/44/39/37/1064443937.db2.gz AJRUYXGVBNZESC-YTQUADARSA-N 0 0 451.537 4.876 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1c(F)cccc1Cl ZINC001359788631 1064443946 /nfs/dbraw/zinc/44/39/46/1064443946.db2.gz GQDVZFLVCXZKFN-KXBFYZLASA-N 0 0 466.001 4.667 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1Cc1ccc(F)c(F)c1 ZINC001359788266 1064443968 /nfs/dbraw/zinc/44/39/68/1064443968.db2.gz ZXINZCALBRXJNO-UHFFFAOYSA-N 0 0 485.398 4.626 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(=O)c3cnc4c(c3)c(C(F)(F)F)nn4C)c2)cc1 ZINC001435026793 1064444637 /nfs/dbraw/zinc/44/46/37/1064444637.db2.gz LVJDRRTZMCEDBK-UHFFFAOYSA-N 0 0 454.408 4.767 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(Br)cc1-n1cncn1 ZINC001359789185 1064444950 /nfs/dbraw/zinc/44/49/50/1064444950.db2.gz DGSDDUPAHPGNTC-UHFFFAOYSA-N 0 0 457.397 4.865 20 0 JJADRN CC(C)(CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(F)cc1 ZINC001359789456 1064445521 /nfs/dbraw/zinc/44/55/21/1064445521.db2.gz GQZUMSPSVAEZQO-UHFFFAOYSA-N 0 0 454.527 4.505 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359789930 1064446574 /nfs/dbraw/zinc/44/65/74/1064446574.db2.gz RUGVXWNPQZVEMI-QFBILLFUSA-N 0 0 497.562 4.773 20 0 JJADRN CC(=O)c1ccc(C(=O)Nc2cc(I)ccc2Br)cc1C ZINC001435029402 1064446400 /nfs/dbraw/zinc/44/64/00/1064446400.db2.gz OIRVPTFFFCWHIB-UHFFFAOYSA-N 0 0 458.093 4.817 20 0 JJADRN C/C(=C\C(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1)c1cnccn1 ZINC001435029132 1064446552 /nfs/dbraw/zinc/44/65/52/1064446552.db2.gz BQADGIVTZWUWCD-NTCAYCPXSA-N 0 0 453.292 4.605 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001435030294 1064447266 /nfs/dbraw/zinc/44/72/66/1064447266.db2.gz DHOSBCFIVSSARW-SANMLTNESA-N 0 0 457.574 4.609 20 0 JJADRN C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(I)ccc2Br)C1 ZINC001435030948 1064448221 /nfs/dbraw/zinc/44/82/21/1064448221.db2.gz YUESITDJHVAHMW-PWSUYJOCSA-N 0 0 452.130 4.588 20 0 JJADRN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(I)ccc2Br)C1 ZINC001435030950 1064448277 /nfs/dbraw/zinc/44/82/77/1064448277.db2.gz YUESITDJHVAHMW-ZYHUDNBSSA-N 0 0 452.130 4.588 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)CCNC(=O)c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC001435032197 1064449408 /nfs/dbraw/zinc/44/94/08/1064449408.db2.gz MVODDVFBKSVTCF-UHFFFAOYSA-N 0 0 456.521 4.805 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359792849 1064450265 /nfs/dbraw/zinc/45/02/65/1064450265.db2.gz POBRFBWFHBKGEK-OALUTQOASA-N 0 0 457.619 4.520 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001435032627 1064450239 /nfs/dbraw/zinc/45/02/39/1064450239.db2.gz YLIMSDRXKXXWNK-CYBMUJFWSA-N 0 0 457.760 4.949 20 0 JJADRN CCOc1ccc(N(C(=O)c2cccc(COC)c2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435033877 1064450984 /nfs/dbraw/zinc/45/09/84/1064450984.db2.gz LQIVMLRZHHVULI-UHFFFAOYSA-N 0 0 450.501 4.905 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001435033924 1064451092 /nfs/dbraw/zinc/45/10/92/1064451092.db2.gz WPMBPPUTRCGCGH-UHFFFAOYSA-N 0 0 457.461 4.669 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359793278 1064451185 /nfs/dbraw/zinc/45/11/85/1064451185.db2.gz OSXYVWAGFFUKHI-RKOCDCBOSA-N 0 0 484.538 4.871 20 0 JJADRN CCOc1ccc(N(C(=O)[C@H]2Cc3ccc(F)cc32)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435034585 1064451908 /nfs/dbraw/zinc/45/19/08/1064451908.db2.gz SXOQJYHVOLNSPD-QFIPXVFZSA-N 0 0 450.476 4.924 20 0 JJADRN COc1cc(Br)c(CNC(=O)[C@H](C)c2ccc(Br)cc2)cc1OC ZINC001435034603 1064451917 /nfs/dbraw/zinc/45/19/17/1064451917.db2.gz GAUVXLAEWJQAGW-LLVKDONJSA-N 0 0 457.162 4.649 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2cc(C)c(Br)cc2C)cc1OC ZINC001435034991 1064451986 /nfs/dbraw/zinc/45/19/86/1064451986.db2.gz JETCHZHRCYHMMY-UHFFFAOYSA-N 0 0 457.162 4.776 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001359793948 1064452018 /nfs/dbraw/zinc/45/20/18/1064452018.db2.gz SHUAEKFCMVFGIU-RXVVDRJESA-N 0 0 453.612 4.533 20 0 JJADRN CCOc1ccc(N(C(=O)/C=C\c2cnc(C)s2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435034423 1064452031 /nfs/dbraw/zinc/45/20/31/1064452031.db2.gz QLXCKRAEDCFDCS-HJWRWDBZSA-N 0 0 453.530 4.923 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CCC(=O)Nc1ccccc1 ZINC001359793950 1064452468 /nfs/dbraw/zinc/45/24/68/1064452468.db2.gz SHUAEKFCMVFGIU-WIYYLYMNSA-N 0 0 453.612 4.533 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCc1ccc(Br)s1 ZINC001359794059 1064452535 /nfs/dbraw/zinc/45/25/35/1064452535.db2.gz ZTPOHLUJGPCEJA-INIZCTEOSA-N 0 0 467.477 4.675 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359794347 1064452624 /nfs/dbraw/zinc/45/26/24/1064452624.db2.gz WDFFXJXGDSBJTO-GOEBONIOSA-N 0 0 459.582 4.629 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1 ZINC001435038172 1064453850 /nfs/dbraw/zinc/45/38/50/1064453850.db2.gz PZEICQXZRWCXJU-UHFFFAOYSA-N 0 0 450.543 4.583 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2=O)ccc1F ZINC001435038450 1064454591 /nfs/dbraw/zinc/45/45/91/1064454591.db2.gz UNZMNFOWGNNZLV-QGZVFWFLSA-N 0 0 454.448 4.983 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCCCN(C)c1ccccc1 ZINC001359796098 1064455373 /nfs/dbraw/zinc/45/53/73/1064455373.db2.gz UMXQGRYOEYJNKO-UHFFFAOYSA-N 0 0 465.564 4.741 20 0 JJADRN O=C(NCc1cccc(COC2CCOCC2)c1)C1(c2ccc(Br)cc2)CCC1 ZINC001435038835 1064455524 /nfs/dbraw/zinc/45/55/24/1064455524.db2.gz KWFWVJXHIYPLGQ-UHFFFAOYSA-N 0 0 458.396 4.883 20 0 JJADRN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435039860 1064456370 /nfs/dbraw/zinc/45/63/70/1064456370.db2.gz GWVSLONGHXTNLM-FUPPJEDESA-N 0 0 458.524 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001359796711 1064457143 /nfs/dbraw/zinc/45/71/43/1064457143.db2.gz IOSJDMZLRRNFTL-UHFFFAOYSA-N 0 0 469.649 4.822 20 0 JJADRN O=C(NCc1cccc(COC2CCOCC2)c1)c1cc(Cl)c(F)cc1Br ZINC001435040835 1064458128 /nfs/dbraw/zinc/45/81/28/1064458128.db2.gz XWMXUOCJAUKORV-UHFFFAOYSA-N 0 0 456.739 4.867 20 0 JJADRN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)Cn1cc(Br)cn1 ZINC001435042005 1064459100 /nfs/dbraw/zinc/45/91/00/1064459100.db2.gz ZTJDSCAKXCAKOB-UHFFFAOYSA-N 0 0 459.388 4.534 20 0 JJADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001435042891 1064459878 /nfs/dbraw/zinc/45/98/78/1064459878.db2.gz PWKLIKLUYGCAPU-KNQAVFIVSA-N 0 0 458.624 4.917 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC001435043305 1064460043 /nfs/dbraw/zinc/46/00/43/1064460043.db2.gz IVFHEZPKBXNFAT-RUZDIDTESA-N 0 0 458.558 4.503 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1F ZINC001359797937 1064460806 /nfs/dbraw/zinc/46/08/06/1064460806.db2.gz BOCPISLOIBESSY-UYAOXDASSA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435044269 1064460895 /nfs/dbraw/zinc/46/08/95/1064460895.db2.gz LSCBKOYBVPHMBD-MRXNPFEDSA-N 0 0 454.493 4.560 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435044268 1064460949 /nfs/dbraw/zinc/46/09/49/1064460949.db2.gz LSCBKOYBVPHMBD-INIZCTEOSA-N 0 0 454.493 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001359798063 1064460882 /nfs/dbraw/zinc/46/08/82/1064460882.db2.gz CLIQVTABCVOHRV-GDBMZVCRSA-N 0 0 456.475 4.859 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359798360 1064461501 /nfs/dbraw/zinc/46/15/01/1064461501.db2.gz IKLMVYZDRWHITB-QHAWAJNXSA-N 0 0 477.694 4.811 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359798294 1064461535 /nfs/dbraw/zinc/46/15/35/1064461535.db2.gz GSKQJEHOSZRHEB-UHFFFAOYSA-N 0 0 452.521 4.962 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCc3c(C)ccc(F)c32)cc1 ZINC001435045600 1064462070 /nfs/dbraw/zinc/46/20/70/1064462070.db2.gz LTCVAMQXNRKRDS-UHFFFAOYSA-N 0 0 452.551 4.942 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001435045807 1064462112 /nfs/dbraw/zinc/46/21/12/1064462112.db2.gz MVCGRCMFKSQIDT-QGZVFWFLSA-N 0 0 456.258 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc4c(cc3C2)CCCC4)n1C[C@](C)(O)CCC(C)C ZINC001545888364 1064462118 /nfs/dbraw/zinc/46/21/18/1064462118.db2.gz IZGBHPUVIHMAGI-GDLZYMKVSA-N 0 0 495.712 4.825 20 0 JJADRN 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AEAZNJRIUZDZFI-REWPJTCUSA-N 0 0 453.633 4.936 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1cc(Br)c(F)cc1F ZINC001359813826 1064491204 /nfs/dbraw/zinc/49/12/04/1064491204.db2.gz HZYIJUQJQROIBY-INIZCTEOSA-N 0 0 451.223 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)OCC(=O)Nc2ccccc2)CC1 ZINC001359814125 1064491217 /nfs/dbraw/zinc/49/12/17/1064491217.db2.gz UWKZANDYQOSKFK-UHFFFAOYSA-N 0 0 452.551 4.672 20 0 JJADRN CCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069271 1064491234 /nfs/dbraw/zinc/49/12/34/1064491234.db2.gz XBMGSNUZHWVOAS-XMMPIXPASA-N 0 0 456.995 4.709 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)CC2)cc1 ZINC001435070098 1064491319 /nfs/dbraw/zinc/49/13/19/1064491319.db2.gz VYLYSVYMICMZTH-RUZDIDTESA-N 0 0 451.680 4.859 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359814326 1064491752 /nfs/dbraw/zinc/49/17/52/1064491752.db2.gz BOUFJYQMAFVIQB-LJQANCHMSA-N 0 0 463.573 4.740 20 0 JJADRN O=C(COc1ccccc1Br)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC001435070445 1064491895 /nfs/dbraw/zinc/49/18/95/1064491895.db2.gz AKFHWTYIDNCDHR-UHFFFAOYSA-N 0 0 452.308 4.693 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)N3CCSCC3)CC2)cc1 ZINC001435070102 1064492095 /nfs/dbraw/zinc/49/20/95/1064492095.db2.gz VYLYSVYMICMZTH-VWLOTQADSA-N 0 0 451.680 4.859 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359814829 1064493711 /nfs/dbraw/zinc/49/37/11/1064493711.db2.gz BPGJBZWCCQFKRX-URXFXBBRSA-N 0 0 472.649 4.785 20 0 JJADRN O=C(Cc1ccccc1S(=O)(=O)C(F)F)N(Cc1ccccc1F)c1ccccc1F ZINC001435071197 1064493847 /nfs/dbraw/zinc/49/38/47/1064493847.db2.gz HYIJWLRURXAAPE-UHFFFAOYSA-N 0 0 451.441 4.737 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001359814791 1064493929 /nfs/dbraw/zinc/49/39/29/1064493929.db2.gz ATKAIOPVBVLYEI-HSZRJFAPSA-N 0 0 475.058 4.587 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001359815235 1064495628 /nfs/dbraw/zinc/49/56/28/1064495628.db2.gz YIYPRXLFFNUYMA-OALUTQOASA-N 0 0 456.610 4.842 20 0 JJADRN O=C(Oc1cccc(OCC(F)(F)F)c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001435073596 1064495585 /nfs/dbraw/zinc/49/55/85/1064495585.db2.gz FZPKOEBOGPQCGR-UHFFFAOYSA-N 0 0 459.193 4.934 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)[C@]1(F)CCS(=O)(=O)C1 ZINC001435073170 1064495618 /nfs/dbraw/zinc/49/56/18/1064495618.db2.gz KFAMIFUEUKCKEO-KRWDZBQOSA-N 0 0 452.718 4.904 20 0 JJADRN CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC001435075305 1064497133 /nfs/dbraw/zinc/49/71/33/1064497133.db2.gz ZYXPQGCIZLQEIV-NRFANRHFSA-N 0 0 456.633 4.588 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(OCC(F)(F)F)c2)c1Cl ZINC001435075536 1064497160 /nfs/dbraw/zinc/49/71/60/1064497160.db2.gz MYWLFBFLYLOJMG-UHFFFAOYSA-N 0 0 457.253 4.947 20 0 JJADRN CCCc1sc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1Br ZINC001435075794 1064498175 /nfs/dbraw/zinc/49/81/75/1064498175.db2.gz LEUJFAGOBMBPTR-HNNXBMFYSA-N 0 0 455.805 4.994 20 0 JJADRN Cc1cccnc1C(F)(F)C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435075923 1064498393 /nfs/dbraw/zinc/49/83/93/1064498393.db2.gz QTCVGXYQXFEIFF-FQEVSTJZSA-N 0 0 459.537 4.910 20 0 JJADRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001359816766 1064498832 /nfs/dbraw/zinc/49/88/32/1064498832.db2.gz MJFIOKDQXKTQTI-DOMZBBRYSA-N 0 0 453.427 4.607 20 0 JJADRN CN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4cccc(C(F)(F)F)c4)cc3)cc2C1=O ZINC001359817109 1064498960 /nfs/dbraw/zinc/49/89/60/1064498960.db2.gz ZSBYYVVTVYULCE-UHFFFAOYSA-N 0 0 454.404 4.763 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Cc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001435076160 1064499051 /nfs/dbraw/zinc/49/90/51/1064499051.db2.gz CQUGSOCPPJSUOX-UHFFFAOYSA-N 0 0 455.457 4.797 20 0 JJADRN CCOCCN(CC)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001435077184 1064499988 /nfs/dbraw/zinc/49/99/88/1064499988.db2.gz JBGVKDSTTKIAEI-FQEVSTJZSA-N 0 0 450.579 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001359817919 1064501270 /nfs/dbraw/zinc/50/12/70/1064501270.db2.gz OBKNPKVFOJOCFP-OAQYLSRUSA-N 0 0 489.542 4.657 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359818279 1064501677 /nfs/dbraw/zinc/50/16/77/1064501677.db2.gz YQEWUOMUIYPAIC-UHFFFAOYSA-N 0 0 489.705 4.908 20 0 JJADRN CCCC1CCC(N(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 ZINC001435080228 1064501903 /nfs/dbraw/zinc/50/19/03/1064501903.db2.gz LEBZXZAHLJOFSG-UHFFFAOYSA-N 0 0 451.629 4.608 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC001435080145 1064502237 /nfs/dbraw/zinc/50/22/37/1064502237.db2.gz JTOZLQGRBIVJSQ-GFCCVEGCSA-N 0 0 458.946 4.932 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1=O ZINC001435080252 1064502802 /nfs/dbraw/zinc/50/28/02/1064502802.db2.gz FJSDWKQOXZIORT-RTBURBONSA-N 0 0 453.558 4.568 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001435081104 1064503277 /nfs/dbraw/zinc/50/32/77/1064503277.db2.gz URHFOMNHCBKIPW-VFNWGFHPSA-N 0 0 457.546 4.647 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001435081105 1064503293 /nfs/dbraw/zinc/50/32/93/1064503293.db2.gz URHFOMNHCBKIPW-YCRPNKLZSA-N 0 0 457.546 4.647 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001359820719 1064503764 /nfs/dbraw/zinc/50/37/64/1064503764.db2.gz UCKJQEXJAIMDTI-HNNXBMFYSA-N 0 0 458.527 4.601 20 0 JJADRN CCN(CC)C(=O)CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001435082744 1064504323 /nfs/dbraw/zinc/50/43/23/1064504323.db2.gz FXYUDXHGOWBXDG-UHFFFAOYSA-N 0 0 452.986 4.630 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCc1cc(Br)ccc1F ZINC001359821389 1064504506 /nfs/dbraw/zinc/50/45/06/1064504506.db2.gz IYDIVNSHYROWCG-OAQYLSRUSA-N 0 0 467.452 4.954 20 0 JJADRN Cc1nc(-c2ccccc2)sc1COC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001435083709 1064505074 /nfs/dbraw/zinc/50/50/74/1064505074.db2.gz FUZFXOJCCVOLIU-UHFFFAOYSA-N 0 0 455.337 4.819 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359823145 1064504970 /nfs/dbraw/zinc/50/49/70/1064504970.db2.gz NQAJQKJQKZSYOB-HTAPYJJXSA-N 0 0 489.611 4.963 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359822695 1064504988 /nfs/dbraw/zinc/50/49/88/1064504988.db2.gz FKFRERCIOJHAPO-FQEVSTJZSA-N 0 0 463.479 4.761 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001435083120 1064505117 /nfs/dbraw/zinc/50/51/17/1064505117.db2.gz IRGKLQIFQFCBFA-OAHLLOKOSA-N 0 0 455.267 4.549 20 0 JJADRN COc1ccc(C2(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)CCCC2)cc1OC ZINC001435084297 1064505572 /nfs/dbraw/zinc/50/55/72/1064505572.db2.gz ALFMDXBIVOHXHF-HSZRJFAPSA-N 0 0 456.627 4.545 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC001435085186 1064506256 /nfs/dbraw/zinc/50/62/56/1064506256.db2.gz GBARAWHMNBDJJM-IBGZPJMESA-N 0 0 457.359 4.571 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(F)ccc3C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359823678 1064506272 /nfs/dbraw/zinc/50/62/72/1064506272.db2.gz WHGDCKYRJJDHKP-UHFFFAOYSA-N 0 0 477.506 4.757 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)c1C ZINC001359824012 1064506330 /nfs/dbraw/zinc/50/63/30/1064506330.db2.gz DHXWMDGBLVWNMT-OAQYLSRUSA-N 0 0 454.983 4.511 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC001435086410 1064506538 /nfs/dbraw/zinc/50/65/38/1064506538.db2.gz ANNGBHQJWCWXDM-CQSZACIVSA-N 0 0 453.340 4.883 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)c2cc(I)c(F)cc2F)cc1 ZINC001435085920 1064506690 /nfs/dbraw/zinc/50/66/90/1064506690.db2.gz UOUJKLOZQIEXTH-UHFFFAOYSA-N 0 0 459.274 4.577 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC001435087475 1064506988 /nfs/dbraw/zinc/50/69/88/1064506988.db2.gz TXHDXIRBBASAAB-NRFANRHFSA-N 0 0 453.396 4.551 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)CC1 ZINC001435086869 1064507073 /nfs/dbraw/zinc/50/70/73/1064507073.db2.gz PEACCWDWONDFKW-QHCPKHFHSA-N 0 0 457.615 4.985 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CCc1ccc(Br)s1 ZINC001359825119 1064507574 /nfs/dbraw/zinc/50/75/74/1064507574.db2.gz BUKJCHNAEAAOMQ-DOTOQJQBSA-N 0 0 453.450 4.549 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC001435089185 1064507765 /nfs/dbraw/zinc/50/77/65/1064507765.db2.gz BPYFCCVIYXFBEB-SFHVURJKSA-N 0 0 452.986 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359825306 1064507660 /nfs/dbraw/zinc/50/76/60/1064507660.db2.gz CBIGGPXLLHRTMQ-SFHVURJKSA-N 0 0 466.552 4.834 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC001435088288 1064507824 /nfs/dbraw/zinc/50/78/24/1064507824.db2.gz OBOUBVSUDUPFQG-UHFFFAOYSA-N 0 0 455.562 4.856 20 0 JJADRN C[C@@H](c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)N1CCOCC1 ZINC001435090065 1064508363 /nfs/dbraw/zinc/50/83/63/1064508363.db2.gz FUUGTIXRDWKXEG-HNNXBMFYSA-N 0 0 458.971 4.514 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)cc1 ZINC001435091261 1064508918 /nfs/dbraw/zinc/50/89/18/1064508918.db2.gz QEDPSFJZRIIQDF-YADARESESA-N 0 0 453.970 4.699 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc2nsnc2c1 ZINC001359827016 1064509303 /nfs/dbraw/zinc/50/93/03/1064509303.db2.gz UAYLJKIATIGEGZ-HKUYNNGSSA-N 0 0 499.685 4.659 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1cccc(CSC)c1 ZINC001545888694 1064509531 /nfs/dbraw/zinc/50/95/31/1064509531.db2.gz UXQLQLDYMWQIHM-UHFFFAOYSA-N 0 0 499.084 4.719 20 0 JJADRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001359827746 1064509516 /nfs/dbraw/zinc/50/95/16/1064509516.db2.gz NZTZKMBNJHPYHM-VWLOTQADSA-N 0 0 452.501 4.864 20 0 JJADRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001359827926 1064510287 /nfs/dbraw/zinc/51/02/87/1064510287.db2.gz VELSGUDNUJGQKI-RUZDIDTESA-N 0 0 452.501 4.864 20 0 JJADRN Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001435095058 1064510779 /nfs/dbraw/zinc/51/07/79/1064510779.db2.gz JPSPYEAYYQBZJB-HTAPYJJXSA-N 0 0 455.396 4.722 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)c1 ZINC001435095800 1064511226 /nfs/dbraw/zinc/51/12/26/1064511226.db2.gz NVKSBBRZJZXMTL-UHFFFAOYSA-N 0 0 450.601 4.507 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359829929 1064511527 /nfs/dbraw/zinc/51/15/27/1064511527.db2.gz AHAZLMGZSLYLSP-MSOLQXFVSA-N 0 0 451.537 4.582 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3Cl)CC2=O)cc1 ZINC001435095944 1064511634 /nfs/dbraw/zinc/51/16/34/1064511634.db2.gz PZGZRPPHQLIHIC-OCCSQVGLSA-N 0 0 455.769 4.881 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001359830202 1064512539 /nfs/dbraw/zinc/51/25/39/1064512539.db2.gz DMONDZHANFHPHT-IBGZPJMESA-N 0 0 493.743 4.798 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001359830314 1064513004 /nfs/dbraw/zinc/51/30/04/1064513004.db2.gz GTRMOWPLLQPDLX-OAQYLSRUSA-N 0 0 465.646 4.676 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc2)c1 ZINC001435098793 1064513434 /nfs/dbraw/zinc/51/34/34/1064513434.db2.gz BRHXHXPBVWXDOM-INIZCTEOSA-N 0 0 452.473 4.762 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359830710 1064513503 /nfs/dbraw/zinc/51/35/03/1064513503.db2.gz PHLTUPFURSKKDV-CVEARBPZSA-N 0 0 454.512 4.724 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359830729 1064513668 /nfs/dbraw/zinc/51/36/68/1064513668.db2.gz PODHJWXEAQZCOY-QGZVFWFLSA-N 0 0 455.607 4.701 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCCOc1ccccc1 ZINC001359831179 1064514376 /nfs/dbraw/zinc/51/43/76/1064514376.db2.gz YJFNMNQLNAHCDA-HXUWFJFHSA-N 0 0 452.603 4.836 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)c(F)c1 ZINC001359831680 1064514743 /nfs/dbraw/zinc/51/47/43/1064514743.db2.gz ACNJNZSQNNGULS-IBGZPJMESA-N 0 0 477.600 4.739 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)c(F)c1 ZINC001359831681 1064514926 /nfs/dbraw/zinc/51/49/26/1064514926.db2.gz ACNJNZSQNNGULS-LJQANCHMSA-N 0 0 477.600 4.739 20 0 JJADRN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCCc2cc(Br)cc(Cl)c21 ZINC001435102349 1064515060 /nfs/dbraw/zinc/51/50/60/1064515060.db2.gz VWCMCPHCXBQOOY-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3cncn3)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359832211 1064515295 /nfs/dbraw/zinc/51/52/95/1064515295.db2.gz GYXXTMHHLVRNKN-UYAOXDASSA-N 0 0 465.499 4.531 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCC3CCC(c4ccccc4)CC3)cc2)C1 ZINC001435103977 1064515359 /nfs/dbraw/zinc/51/53/59/1064515359.db2.gz GBSVHQLREHTYGR-HVIUMASTSA-N 0 0 454.636 4.811 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1=O ZINC001435104348 1064515410 /nfs/dbraw/zinc/51/54/10/1064515410.db2.gz ZFSYPNANIIQTCL-RBUKOAKNSA-N 0 0 452.551 4.524 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001359832590 1064515959 /nfs/dbraw/zinc/51/59/59/1064515959.db2.gz MBMXFKGGAVQLHS-OAQYLSRUSA-N 0 0 482.673 4.829 20 0 JJADRN Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cc1C(=O)NC(C)C ZINC001435106255 1064516285 /nfs/dbraw/zinc/51/62/85/1064516285.db2.gz WDJRZEDSIQKPBZ-JREAUHRESA-N 0 0 457.615 4.791 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C1(c2ccccc2)CCOCC1 ZINC001435107291 1064516574 /nfs/dbraw/zinc/51/65/74/1064516574.db2.gz CVBWMPOMHWTFQN-UHFFFAOYSA-N 0 0 450.579 4.739 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CCc2ccccc2OC)cc1 ZINC001435106505 1064516630 /nfs/dbraw/zinc/51/66/30/1064516630.db2.gz HZVRJEMPTTWYNA-UHFFFAOYSA-N 0 0 455.558 4.930 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ncccc1CSC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107540 1064516863 /nfs/dbraw/zinc/51/68/63/1064516863.db2.gz AKWVIWIJWDHGDP-AUSIDOKSSA-N 0 0 453.652 4.570 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCN(C)CC(F)(F)F)cc1 ZINC001435108118 1064517701 /nfs/dbraw/zinc/51/77/01/1064517701.db2.gz IYYFISUVCANWTB-UHFFFAOYSA-N 0 0 450.892 4.725 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359833052 1064517715 /nfs/dbraw/zinc/51/77/15/1064517715.db2.gz SNWHWEMCBQXCMZ-MRXNPFEDSA-N 0 0 499.488 4.578 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001435109539 1064518907 /nfs/dbraw/zinc/51/89/07/1064518907.db2.gz QMLXLHIUEOCRTI-UHFFFAOYSA-N 0 0 459.593 4.617 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109290 1064518961 /nfs/dbraw/zinc/51/89/61/1064518961.db2.gz RKMYJIRVTSSPTB-LYZGTLIUSA-N 0 0 459.634 4.962 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NCCc2ccc(Br)cc2F)cc1)c1ccccc1 ZINC001435110470 1064519348 /nfs/dbraw/zinc/51/93/48/1064519348.db2.gz PKUYAGDMMWYQDR-UHFFFAOYSA-N 0 0 455.327 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1(C)C ZINC001359833508 1064519743 /nfs/dbraw/zinc/51/97/43/1064519743.db2.gz YMVUSQFPSCUDSF-RBUKOAKNSA-N 0 0 465.708 4.844 20 0 JJADRN C[C@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001435110644 1064519785 /nfs/dbraw/zinc/51/97/85/1064519785.db2.gz NPLFHTACRVDQQV-HRAATJIYSA-N 0 0 453.336 4.713 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C(C)C)cc1 ZINC001435110633 1064520041 /nfs/dbraw/zinc/52/00/41/1064520041.db2.gz GRMPTNVZNGZWFR-QFIPXVFZSA-N 0 0 459.575 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1nc2cccc(Cl)c2n1C ZINC001359834393 1064520025 /nfs/dbraw/zinc/52/00/25/1064520025.db2.gz CLNZHXHJYUWDRO-HNNXBMFYSA-N 0 0 484.954 4.613 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCc1c(F)cccc1F ZINC001359834318 1064520097 /nfs/dbraw/zinc/52/00/97/1064520097.db2.gz AOPJKIZOJUWCMT-KRWDZBQOSA-N 0 0 459.516 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359834437 1064520609 /nfs/dbraw/zinc/52/06/09/1064520609.db2.gz DEUVNLQWNDRWLW-SFHVURJKSA-N 0 0 451.656 4.564 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435112104 1064521024 /nfs/dbraw/zinc/52/10/24/1064521024.db2.gz LDGSZOVOGFPDKB-LPHOPBHVSA-N 0 0 459.974 4.682 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001359834801 1064521331 /nfs/dbraw/zinc/52/13/31/1064521331.db2.gz LTCGCUOBVSOQEZ-QGZVFWFLSA-N 0 0 489.089 4.919 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c2ccccc2)cc1 ZINC001435112769 1064521509 /nfs/dbraw/zinc/52/15/09/1064521509.db2.gz PCMSENINTIIUAP-QHCPKHFHSA-N 0 0 459.521 4.761 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359834962 1064522018 /nfs/dbraw/zinc/52/20/18/1064522018.db2.gz OURSEVZFEAVCRV-MSOLQXFVSA-N 0 0 491.599 4.527 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(OC)c(Br)c2)nnc1-c1cccs1 ZINC001435115735 1064523036 /nfs/dbraw/zinc/52/30/36/1064523036.db2.gz FVKIXGYNHWOZQF-UHFFFAOYSA-N 0 0 453.387 4.528 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001435115179 1064523126 /nfs/dbraw/zinc/52/31/26/1064523126.db2.gz RQSFDBUELHQSNS-LJQANCHMSA-N 0 0 459.359 4.712 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001359835634 1064523129 /nfs/dbraw/zinc/52/31/29/1064523129.db2.gz YVXMFKVYRVHTMY-NHCUHLMSSA-N 0 0 457.638 4.926 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1OC(F)(F)F ZINC001359835701 1064523283 /nfs/dbraw/zinc/52/32/83/1064523283.db2.gz ZKIGJAGQRGLFMI-SFHVURJKSA-N 0 0 481.563 4.555 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1OC(F)(F)F ZINC001359835700 1064523314 /nfs/dbraw/zinc/52/33/14/1064523314.db2.gz ZKIGJAGQRGLFMI-GOSISDBHSA-N 0 0 481.563 4.555 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)c2)cc1 ZINC001359837334 1064523513 /nfs/dbraw/zinc/52/35/13/1064523513.db2.gz CPEXBUXDISITSN-DWXRJYCRSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001359837102 1064523568 /nfs/dbraw/zinc/52/35/68/1064523568.db2.gz YKKUKJMMNBHMRW-MJGOQNOKSA-N 0 0 471.593 4.533 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)c3cnn(-c4ccccc4)c3Br)s2)cc1 ZINC001435115763 1064523661 /nfs/dbraw/zinc/52/36/61/1064523661.db2.gz GUIGKJCXHVWLAE-UHFFFAOYSA-N 0 0 454.353 4.638 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1CCOc2ccccc21 ZINC001435115940 1064523678 /nfs/dbraw/zinc/52/36/78/1064523678.db2.gz XMXJYDZFUOVUBC-GOSISDBHSA-N 0 0 454.368 4.607 20 0 JJADRN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1Br ZINC001435116129 1064523702 /nfs/dbraw/zinc/52/37/02/1064523702.db2.gz LISUSIKYIBBURS-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN COc1cccc(CNC(=O)Cc2noc3ccc(Br)cc23)c1OC1CCCC1 ZINC001435116207 1064524087 /nfs/dbraw/zinc/52/40/87/1064524087.db2.gz MLZNLBMCKBHBBJ-UHFFFAOYSA-N 0 0 459.340 4.779 20 0 JJADRN CC(C)n1cc([C@H](C)NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cn1 ZINC001435116526 1064524112 /nfs/dbraw/zinc/52/41/12/1064524112.db2.gz QHCYQUBKSWGSJP-HNNXBMFYSA-N 0 0 456.388 4.782 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCc2cscn2)c1 ZINC001359837568 1064524098 /nfs/dbraw/zinc/52/40/98/1064524098.db2.gz IGYCTUJFSDMRQY-MZNJEOGPSA-N 0 0 459.612 4.926 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001435117431 1064524691 /nfs/dbraw/zinc/52/46/91/1064524691.db2.gz CYGWDWSTUPBNJV-QHCPKHFHSA-N 0 0 450.583 4.546 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)co1 ZINC001435117456 1064524890 /nfs/dbraw/zinc/52/48/90/1064524890.db2.gz FMDXFTKJGCYLMR-SFHVURJKSA-N 0 0 456.322 4.843 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCCC3)cc2)no1 ZINC001435119438 1064525782 /nfs/dbraw/zinc/52/57/82/1064525782.db2.gz ROZZJACGWCOXOQ-OAQYLSRUSA-N 0 0 458.559 4.759 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1OC ZINC001435118812 1064525950 /nfs/dbraw/zinc/52/59/50/1064525950.db2.gz BOLMBASMNYXGFU-AWEZNQCLSA-N 0 0 453.539 4.873 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001435120177 1064526427 /nfs/dbraw/zinc/52/64/27/1064526427.db2.gz WHOILEXPGHVCHR-IMOOIFFWSA-N 0 0 450.337 4.774 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 ZINC001435120759 1064526944 /nfs/dbraw/zinc/52/69/44/1064526944.db2.gz RZRWZKHHTDKRJF-IBGZPJMESA-N 0 0 450.922 4.789 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545888759 1064527371 /nfs/dbraw/zinc/52/73/71/1064527371.db2.gz XLTGNOMJWFIARC-BCDXTJNWSA-N 0 0 474.049 4.616 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1OC ZINC001435121287 1064527503 /nfs/dbraw/zinc/52/75/03/1064527503.db2.gz SJSURMDWGMFUFP-QGZVFWFLSA-N 0 0 450.510 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359840837 1064527639 /nfs/dbraw/zinc/52/76/39/1064527639.db2.gz SFOSCVHMZVUFLP-NHCUHLMSSA-N 0 0 488.076 4.688 20 0 JJADRN COC(=O)c1ccc(NC(=O)CCCOc2cccc(Br)c2)c(OC(F)F)c1 ZINC001359841945 1064529028 /nfs/dbraw/zinc/52/90/28/1064529028.db2.gz HTLKQIRBQVUCKV-UHFFFAOYSA-N 0 0 458.255 4.635 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(S(C)(=O)=O)ccc2CC)cc1 ZINC001435123030 1064529212 /nfs/dbraw/zinc/52/92/12/1064529212.db2.gz FMHUXQFRMNBEFF-ZEQRLZLVSA-N 0 0 459.608 4.561 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(S(C)(=O)=O)ccc2CC)cc1 ZINC001435123028 1064529227 /nfs/dbraw/zinc/52/92/27/1064529227.db2.gz FMHUXQFRMNBEFF-DNQXCXABSA-N 0 0 459.608 4.561 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOc1ccc(Cl)cc1 ZINC001359842636 1064529683 /nfs/dbraw/zinc/52/96/83/1064529683.db2.gz AMYQJRSVOQMICG-LJQANCHMSA-N 0 0 478.037 4.703 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001435124024 1064529708 /nfs/dbraw/zinc/52/97/08/1064529708.db2.gz AANJZQQFHRDQOL-RBUKOAKNSA-N 0 0 456.361 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359843949 1064529998 /nfs/dbraw/zinc/52/99/98/1064529998.db2.gz DSAVRRGIXMBDGG-QGZVFWFLSA-N 0 0 481.538 4.543 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(SC(F)F)c2)c1 ZINC001359843512 1064530311 /nfs/dbraw/zinc/53/03/11/1064530311.db2.gz YOIZOIFYSYXALP-UHFFFAOYSA-N 0 0 450.326 4.810 20 0 JJADRN CCOc1cccc(CCC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001435124752 1064530587 /nfs/dbraw/zinc/53/05/87/1064530587.db2.gz AXHMJMVFSUDYAE-UHFFFAOYSA-N 0 0 459.514 4.909 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cn(-c2ccccc2Br)nn1 ZINC001435124616 1064530652 /nfs/dbraw/zinc/53/06/52/1064530652.db2.gz FVUUEIPLTRWGKL-QGZVFWFLSA-N 0 0 453.365 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359844255 1064530632 /nfs/dbraw/zinc/53/06/32/1064530632.db2.gz OYMVZIFCEKVBLX-ZJSXRUAMSA-N 0 0 488.076 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359844427 1064530711 /nfs/dbraw/zinc/53/07/11/1064530711.db2.gz WJKSEPWADKXSJZ-IBGZPJMESA-N 0 0 476.090 4.624 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)Cc2ccccc2O[C@@H]2CCOC2)cc1 ZINC001435125260 1064531298 /nfs/dbraw/zinc/53/12/98/1064531298.db2.gz XLOZJQZNILTWPX-DGWZTRNLSA-N 0 0 453.579 4.692 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cnn(-c3nc(CC)cs3)c2)cc1 ZINC001435125281 1064531437 /nfs/dbraw/zinc/53/14/37/1064531437.db2.gz XMFWCBYRUUPLLJ-YADHBBJMSA-N 0 0 454.596 4.800 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359846361 1064531825 /nfs/dbraw/zinc/53/18/25/1064531825.db2.gz VVCSIEZCHJZIEN-FPOVZHCZSA-N 0 0 495.565 4.947 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359846165 1064531915 /nfs/dbraw/zinc/53/19/15/1064531915.db2.gz OGPHNTPOQKUHAY-ISKFKSNPSA-N 0 0 473.706 4.547 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1cccc2c1NC(=O)CO2 ZINC001435126201 1064532365 /nfs/dbraw/zinc/53/23/65/1064532365.db2.gz WYZGHYXSEMDWKV-UHFFFAOYSA-N 0 0 453.292 4.502 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)c(NC(=O)C(C)(C)C)c3)CCC(=O)N2C)cc1 ZINC001435126884 1064532834 /nfs/dbraw/zinc/53/28/34/1064532834.db2.gz SDBDYHXTWASHJP-OFNKIYASSA-N 0 0 451.567 4.536 20 0 JJADRN O=C(Nc1ccc(OCC2CC2)cc1)c1cnn(-c2ccccc2)c1I ZINC001435127143 1064533097 /nfs/dbraw/zinc/53/30/97/1064533097.db2.gz FPBKPUZZYOWBFX-UHFFFAOYSA-N 0 0 459.287 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359846928 1064533210 /nfs/dbraw/zinc/53/32/10/1064533210.db2.gz LEDMWZMNQWTNIB-SJBKTWHCSA-N 0 0 477.694 4.764 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001435127488 1064533525 /nfs/dbraw/zinc/53/35/25/1064533525.db2.gz SXUYODKYQQMRPO-KRWDZBQOSA-N 0 0 452.853 4.992 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCCCc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001435127770 1064533595 /nfs/dbraw/zinc/53/35/95/1064533595.db2.gz UYHQQGXBTNORFO-LJQANCHMSA-N 0 0 455.755 4.558 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Br)c1F ZINC001435128320 1064534061 /nfs/dbraw/zinc/53/40/61/1064534061.db2.gz ONBLNVXWVWSJTD-UHFFFAOYSA-N 0 0 458.755 4.972 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001435128971 1064534480 /nfs/dbraw/zinc/53/44/80/1064534480.db2.gz XCYJQSHNYFNLQU-VQTJNVASSA-N 0 0 459.587 4.612 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001359848736 1064534960 /nfs/dbraw/zinc/53/49/60/1064534960.db2.gz BXFMRSZJSRHWOS-GOSISDBHSA-N 0 0 459.610 4.942 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCC(=O)Nc3ccccc3)cc12 ZINC001435130028 1064535009 /nfs/dbraw/zinc/53/50/09/1064535009.db2.gz HZYHACLSNBVZIF-UHFFFAOYSA-N 0 0 452.967 4.867 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccccc1-c1ccccc1 ZINC001435130793 1064535484 /nfs/dbraw/zinc/53/54/84/1064535484.db2.gz YBLXUELKRITRTQ-UHFFFAOYSA-N 0 0 451.364 4.895 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC001435130581 1064535516 /nfs/dbraw/zinc/53/55/16/1064535516.db2.gz WBEXIYCMYIEHMS-INIZCTEOSA-N 0 0 450.348 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc(Br)cc1 ZINC001435130327 1064535559 /nfs/dbraw/zinc/53/55/59/1064535559.db2.gz HXHVEMVZCJBCIQ-RBUKOAKNSA-N 0 0 453.421 4.972 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001435130813 1064535620 /nfs/dbraw/zinc/53/56/20/1064535620.db2.gz YGEKEZIFDWFUES-HNNXBMFYSA-N 0 0 456.411 4.613 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001435131300 1064536079 /nfs/dbraw/zinc/53/60/79/1064536079.db2.gz DRMQWGOCILJSBY-UHFFFAOYSA-N 0 0 459.521 4.846 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359850441 1064536691 /nfs/dbraw/zinc/53/66/91/1064536691.db2.gz SXHOAVBGTOYHHV-UKILVPOCSA-N 0 0 497.684 4.777 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(OCc4ccccc4)cc3C)C2=O)c1 ZINC001435131574 1064536758 /nfs/dbraw/zinc/53/67/58/1064536758.db2.gz SKBBAKPQSYGXFC-DEOSSOPVSA-N 0 0 457.530 4.726 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359850644 1064537235 /nfs/dbraw/zinc/53/72/35/1064537235.db2.gz VMDFCDJTKYUPHH-LJQANCHMSA-N 0 0 486.661 4.543 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1SCCc2ccccc21 ZINC001359850798 1064537799 /nfs/dbraw/zinc/53/77/99/1064537799.db2.gz XDSMPPZWSFMLEI-KNQAVFIVSA-N 0 0 485.698 4.953 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H]1c1cccc(Cl)c1 ZINC001435134755 1064538251 /nfs/dbraw/zinc/53/82/51/1064538251.db2.gz GNKPRIVSPUQSED-GGAORHGYSA-N 0 0 459.011 4.910 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cc(-c3ccncc3)ccc2C)C1 ZINC001359851092 1064538534 /nfs/dbraw/zinc/53/85/34/1064538534.db2.gz COHSAKOUOFAUPL-KCWPFWIISA-N 0 0 459.546 4.812 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)CCC2=O)cc1C ZINC001435135301 1064538995 /nfs/dbraw/zinc/53/89/95/1064538995.db2.gz KVCXBZSBBIOQMM-GOSISDBHSA-N 0 0 454.933 4.722 20 0 JJADRN CC(C)(CC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)NC(=O)OCc1ccccc1 ZINC001435135403 1064539030 /nfs/dbraw/zinc/53/90/30/1064539030.db2.gz LAKSWTKWELOWJJ-UHFFFAOYSA-N 0 0 458.921 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCCCc2cccc(Br)c2)C1 ZINC001435135177 1064539060 /nfs/dbraw/zinc/53/90/60/1064539060.db2.gz FTUGVVJDCQFMCA-PGRDOPGGSA-N 0 0 451.405 4.535 20 0 JJADRN CC(C)[C@H](CNC(=O)CC1(Cn2cnnn2)CCCCC1)Cc1ccc(Cl)cc1Cl ZINC001435137144 1064539269 /nfs/dbraw/zinc/53/92/69/1064539269.db2.gz XXAJJSCQNACHKP-SFHVURJKSA-N 0 0 452.430 4.952 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc2c(cncc2Cl)s1 ZINC001359852499 1064539638 /nfs/dbraw/zinc/53/96/38/1064539638.db2.gz VDOATBWOSJTESE-UHFFFAOYSA-N 0 0 452.761 4.779 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)CCOc1ccc(Cl)c(F)c1 ZINC001435137641 1064539841 /nfs/dbraw/zinc/53/98/41/1064539841.db2.gz AWUDDFVHVHCUSK-UHFFFAOYSA-N 0 0 459.905 4.804 20 0 JJADRN CO[C@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccccc1Br ZINC001435138760 1064540279 /nfs/dbraw/zinc/54/02/79/1064540279.db2.gz ZQLUNPXGKXWKEY-SFHVURJKSA-N 0 0 452.711 4.813 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1Cc1ccc(F)c(F)c1 ZINC001359853626 1064540547 /nfs/dbraw/zinc/54/05/47/1064540547.db2.gz LNSJFSIPUAYIDT-UHFFFAOYSA-N 0 0 481.378 4.832 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCCc1nccs1 ZINC001359853541 1064540616 /nfs/dbraw/zinc/54/06/16/1064540616.db2.gz IVWMTCIADMQVBF-UHFFFAOYSA-N 0 0 480.469 4.594 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001435140073 1064540719 /nfs/dbraw/zinc/54/07/19/1064540719.db2.gz TWHVMJOHKQPDCS-HNNXBMFYSA-N 0 0 454.375 4.616 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001435140074 1064540856 /nfs/dbraw/zinc/54/08/56/1064540856.db2.gz TWHVMJOHKQPDCS-OAHLLOKOSA-N 0 0 454.375 4.616 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cc1N1CCCCC1 ZINC001435139884 1064540891 /nfs/dbraw/zinc/54/08/91/1064540891.db2.gz YOKQSLJRJLRBFF-UHFFFAOYSA-N 0 0 458.349 4.521 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)Oc1c(Cl)cc(Br)cc1Cl ZINC001435140357 1064540959 /nfs/dbraw/zinc/54/09/59/1064540959.db2.gz ZUQYUCYOPGCNIB-UHFFFAOYSA-N 0 0 452.153 4.698 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359854138 1064541216 /nfs/dbraw/zinc/54/12/16/1064541216.db2.gz PXAFXUMWWSEHGE-DLBZAZTESA-N 0 0 454.516 4.631 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001359853916 1064541325 /nfs/dbraw/zinc/54/13/25/1064541325.db2.gz PGPVNWILGHXGKZ-NVXWUHKLSA-N 0 0 455.409 4.643 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H]3CCc4c3cccc4Br)no2)c1 ZINC001359854697 1064541808 /nfs/dbraw/zinc/54/18/08/1064541808.db2.gz QLNXQYNZVDVBJN-HXUWFJFHSA-N 0 0 455.308 4.636 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)cc1 ZINC001435141370 1064542013 /nfs/dbraw/zinc/54/20/13/1064542013.db2.gz ZPEIGYZTOBDWPY-OAQYLSRUSA-N 0 0 451.567 4.520 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)cc1 ZINC001435141875 1064542028 /nfs/dbraw/zinc/54/20/28/1064542028.db2.gz FJTPCEHUAGVUOJ-DEOSSOPVSA-N 0 0 457.565 4.746 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c(C)n1 ZINC001435142109 1064542356 /nfs/dbraw/zinc/54/23/56/1064542356.db2.gz FKCHYRYOJOBJCX-GOSISDBHSA-N 0 0 458.647 4.932 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C)c2cn(C)c3ccccc23)CC1 ZINC001435142800 1064542990 /nfs/dbraw/zinc/54/29/90/1064542990.db2.gz JJLGIWOLQCADDX-ZWKOTPCHSA-N 0 0 454.412 4.950 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC001435142939 1064543686 /nfs/dbraw/zinc/54/36/86/1064543686.db2.gz LDTRYQWFYTZXHX-DEOSSOPVSA-N 0 0 452.549 4.736 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001359857439 1064543998 /nfs/dbraw/zinc/54/39/98/1064543998.db2.gz YIAVCLXHZVPSEZ-UHFFFAOYSA-N 0 0 453.970 4.863 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c(OC)c1 ZINC001435143534 1064544022 /nfs/dbraw/zinc/54/40/22/1064544022.db2.gz PYMCFPMOPYPSSE-POHAHGRESA-N 0 0 458.599 4.889 20 0 JJADRN COc1ccc(-c2ccc(C(=O)OCCNC(=O)CCc3ccc(C)cc3)c(F)c2)c(F)c1 ZINC001359857180 1064544250 /nfs/dbraw/zinc/54/42/50/1064544250.db2.gz RYBITWVPWRRSFY-UHFFFAOYSA-N 0 0 453.485 4.855 20 0 JJADRN COc1cccc(C(F)F)c1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001435144591 1064544592 /nfs/dbraw/zinc/54/45/92/1064544592.db2.gz SFRIQGUIWFLFPE-AWEZNQCLSA-N 0 0 453.327 4.914 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)Cc2ccccc2S(=O)(=O)CC)cc1 ZINC001359857665 1064544708 /nfs/dbraw/zinc/54/47/08/1064544708.db2.gz CAVVYKQPMOHTJR-SANMLTNESA-N 0 0 450.604 4.618 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435145006 1064545429 /nfs/dbraw/zinc/54/54/29/1064545429.db2.gz ZGRTXQFFZMUSDV-LAUBAEHRSA-N 0 0 455.396 4.706 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001435145689 1064545739 /nfs/dbraw/zinc/54/57/39/1064545739.db2.gz YWSZMJJAJFOICW-QGZVFWFLSA-N 0 0 454.368 4.932 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435145754 1064546253 /nfs/dbraw/zinc/54/62/53/1064546253.db2.gz BFZSMTSUQTWGHX-CBGDNZLLSA-N 0 0 454.617 4.549 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)cc2)cc1 ZINC001435145951 1064546290 /nfs/dbraw/zinc/54/62/90/1064546290.db2.gz ZWBBNKYKAKTHOW-UHFFFAOYSA-N 0 0 452.436 4.892 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001359859037 1064546624 /nfs/dbraw/zinc/54/66/24/1064546624.db2.gz ZTXUQQRFURDZOP-UAPYVXQJSA-N 0 0 471.518 4.757 20 0 JJADRN CCN(C(=O)COc1ccccc1OC)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001359859135 1064547215 /nfs/dbraw/zinc/54/72/15/1064547215.db2.gz WJQQWMUYAQWFEL-QHCPKHFHSA-N 0 0 455.352 4.870 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c2ccccc2)cc1 ZINC001435147203 1064547545 /nfs/dbraw/zinc/54/75/45/1064547545.db2.gz DFSRFYHDRPCODG-SVBPBHIXSA-N 0 0 455.602 4.984 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@@H](c1ccccc1)n1cccn1 ZINC001435147179 1064547725 /nfs/dbraw/zinc/54/77/25/1064547725.db2.gz DZTRNEUVJLDCLX-JOCHJYFZSA-N 0 0 452.436 4.995 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC001435148691 1064548755 /nfs/dbraw/zinc/54/87/55/1064548755.db2.gz MVLLNEQVTQOUJX-CXAGYDPISA-N 0 0 454.748 4.855 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435149366 1064549173 /nfs/dbraw/zinc/54/91/73/1064549173.db2.gz RQNZZFMHLPQSGT-CRAIPNDOSA-N 0 0 452.904 4.797 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435149368 1064549204 /nfs/dbraw/zinc/54/92/04/1064549204.db2.gz RQNZZFMHLPQSGT-MAUKXSAKSA-N 0 0 452.904 4.797 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435149369 1064549389 /nfs/dbraw/zinc/54/93/89/1064549389.db2.gz RQNZZFMHLPQSGT-QAPCUYQASA-N 0 0 452.904 4.797 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359861105 1064550858 /nfs/dbraw/zinc/55/08/58/1064550858.db2.gz MREOSAQPLONHHJ-NFBKMPQASA-N 0 0 459.704 4.702 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cccc(C(=O)N2CCCC2)n1 ZINC001435152437 1064551707 /nfs/dbraw/zinc/55/17/07/1064551707.db2.gz DHJZEXNUKDYLQN-JOCHJYFZSA-N 0 0 455.892 4.769 20 0 JJADRN O=C(Nc1cccc2nccn21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001435154571 1064552830 /nfs/dbraw/zinc/55/28/30/1064552830.db2.gz IXSBLITXHZSECF-UHFFFAOYSA-N 0 0 456.762 4.777 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC001359861666 1064552854 /nfs/dbraw/zinc/55/28/54/1064552854.db2.gz BXKJRDAAVFIVSZ-UHFFFAOYSA-N 0 0 453.587 4.520 20 0 JJADRN COc1cc(N(C)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc(OC)c1OC ZINC001435155655 1064553270 /nfs/dbraw/zinc/55/32/70/1064553270.db2.gz PRVSRMIMYQWAOG-UHFFFAOYSA-N 0 0 454.571 4.921 20 0 JJADRN Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccccc3)c12 ZINC001435156281 1064553765 /nfs/dbraw/zinc/55/37/65/1064553765.db2.gz DFRUOZJMCBCJHY-QHCPKHFHSA-N 0 0 456.546 4.659 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001435157484 1064554010 /nfs/dbraw/zinc/55/40/10/1064554010.db2.gz MZTMVLSECXEMNT-JIYROHSKSA-N 0 0 454.498 4.545 20 0 JJADRN Cc1cccc(N2N=C(C(=O)Nc3cccc(C[S@@](=O)Cc4ccccc4)c3)CCC2=O)c1 ZINC001435157458 1064554259 /nfs/dbraw/zinc/55/42/59/1064554259.db2.gz MNFIDJFEDDQRIZ-XIFFEERXSA-N 0 0 459.571 4.565 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001435157487 1064554279 /nfs/dbraw/zinc/55/42/79/1064554279.db2.gz MZTMVLSECXEMNT-UDNBHOFDSA-N 0 0 454.498 4.545 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC001435159242 1064555421 /nfs/dbraw/zinc/55/54/21/1064555421.db2.gz CKTVXWLWZUDCKF-WJOKGBTCSA-N 0 0 458.649 4.701 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001435159903 1064555743 /nfs/dbraw/zinc/55/57/43/1064555743.db2.gz XGVXMNRZTJZOJZ-MRXNPFEDSA-N 0 0 450.885 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)C1 ZINC001435160228 1064555920 /nfs/dbraw/zinc/55/59/20/1064555920.db2.gz GOURHDCKPORCPG-MYGHRHJXSA-N 0 0 458.571 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359865626 1064556080 /nfs/dbraw/zinc/55/60/80/1064556080.db2.gz GUMXKOLQXVJTMF-XLIONFOSSA-N 0 0 478.037 4.621 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCCCC[C@H]3c3ccc(Cl)cc3)CC2=O)c1 ZINC001435160257 1064556376 /nfs/dbraw/zinc/55/63/76/1064556376.db2.gz YAFMGCGQMMATRE-MBSDFSHPSA-N 0 0 456.970 4.854 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359865942 1064556572 /nfs/dbraw/zinc/55/65/72/1064556572.db2.gz KYAUJSZBURGVJA-IBGZPJMESA-N 0 0 457.619 4.996 20 0 JJADRN CC(C)(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1Cl ZINC001435160517 1064556511 /nfs/dbraw/zinc/55/65/11/1064556511.db2.gz ITUZKKKHOAWPQA-UHFFFAOYSA-N 0 0 450.897 4.987 20 0 JJADRN COc1ccc(CCCC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1OC ZINC001435161327 1064556804 /nfs/dbraw/zinc/55/68/04/1064556804.db2.gz AYJQJQPXEWDSES-UHFFFAOYSA-N 0 0 453.560 4.639 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001359866175 1064557145 /nfs/dbraw/zinc/55/71/45/1064557145.db2.gz NPDAXFJIOGFNLW-UEXGIBASSA-N 0 0 477.447 4.632 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001435161430 1064557295 /nfs/dbraw/zinc/55/72/95/1064557295.db2.gz BPNKEZIFVDJPBO-XYJFISCASA-N 0 0 453.421 4.874 20 0 JJADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCCC[C@H]2C)c1 ZINC001435161968 1064558080 /nfs/dbraw/zinc/55/80/80/1064558080.db2.gz PTJQXSGYUXPRHR-QYZOEREBSA-N 0 0 458.599 4.912 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359866600 1064558145 /nfs/dbraw/zinc/55/81/45/1064558145.db2.gz VHLRSOLLSIZZFW-LJQANCHMSA-N 0 0 463.479 4.656 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359866658 1064558573 /nfs/dbraw/zinc/55/85/73/1064558573.db2.gz WQCYRJZXWIVLGW-DFHRPNOPSA-N 0 0 497.684 4.876 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435162919 1064558819 /nfs/dbraw/zinc/55/88/19/1064558819.db2.gz QLNVLOSYNRKXJL-AWEZNQCLSA-N 0 0 459.333 4.888 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001359867266 1064559210 /nfs/dbraw/zinc/55/92/10/1064559210.db2.gz RCQMABBJYBUDIL-UHFFFAOYSA-N 0 0 457.958 4.818 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1CC[C@@H](F)C1 ZINC001359867444 1064559229 /nfs/dbraw/zinc/55/92/29/1064559229.db2.gz BQHYLUNVSLPZEX-HQRMLTQVSA-N 0 0 452.521 4.794 20 0 JJADRN C/C(=C/C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC001359867009 1064559259 /nfs/dbraw/zinc/55/92/59/1064559259.db2.gz HLACTSBWKMAVLR-OWBHPGMISA-N 0 0 454.851 4.886 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC(C)(C)c1ccccc1F ZINC001359867810 1064559599 /nfs/dbraw/zinc/55/95/99/1064559599.db2.gz DYCDJWVMTVUXPV-HXUWFJFHSA-N 0 0 470.593 4.678 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC(C)(C)c1ccccc1F ZINC001359867808 1064559769 /nfs/dbraw/zinc/55/97/69/1064559769.db2.gz DYCDJWVMTVUXPV-FQEVSTJZSA-N 0 0 470.593 4.678 20 0 JJADRN CCCn1cc(C(=O)N[C@H](CC)c2ccccc2OCc2ccccc2Br)nn1 ZINC001435163765 1064559930 /nfs/dbraw/zinc/55/99/30/1064559930.db2.gz KWWAOSBUEOIADE-LJQANCHMSA-N 0 0 457.372 4.911 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001435163917 1064560058 /nfs/dbraw/zinc/56/00/58/1064560058.db2.gz WWZWGOSTVVEPAS-UHFFFAOYSA-N 0 0 457.330 4.712 20 0 JJADRN CS(C)(=O)=Nc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC001435164034 1064560121 /nfs/dbraw/zinc/56/01/21/1064560121.db2.gz ZPWNYDWGELLZKO-UHFFFAOYSA-N 0 0 451.371 4.579 20 0 JJADRN Cc1cc(F)c(CC(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)cc1F ZINC001435163960 1064560209 /nfs/dbraw/zinc/56/02/09/1064560209.db2.gz XSTVTVJUICFBTM-UHFFFAOYSA-N 0 0 451.260 4.804 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC001435164702 1064560486 /nfs/dbraw/zinc/56/04/86/1064560486.db2.gz BVXQXPRPIVQMJN-AREMUKBSSA-N 0 0 454.530 4.744 20 0 JJADRN COc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)cc1I ZINC001435164096 1064560637 /nfs/dbraw/zinc/56/06/37/1064560637.db2.gz MCDURMBCZHOMNX-UGSOOPFHSA-N 0 0 453.345 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359868520 1064560801 /nfs/dbraw/zinc/56/08/01/1064560801.db2.gz LTHPJELNRWGVNY-OEOAZWSVSA-N 0 0 462.585 4.784 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435165030 1064560995 /nfs/dbraw/zinc/56/09/95/1064560995.db2.gz VHXRXSKFGUVDBN-HOTGVXAUSA-N 0 0 453.421 4.874 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CC[C@@H]1CCCCO1 ZINC001359869185 1064561223 /nfs/dbraw/zinc/56/12/23/1064561223.db2.gz UETPYNHCSDIRLI-GHTZIAJQSA-N 0 0 450.986 4.806 20 0 JJADRN C[C@@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435165052 1064561309 /nfs/dbraw/zinc/56/13/09/1064561309.db2.gz VRDOYTRDZJFTNV-HZPDHXFCSA-N 0 0 456.505 4.764 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359868812 1064561281 /nfs/dbraw/zinc/56/12/81/1064561281.db2.gz OGIWMYMOCINWDX-NRFANRHFSA-N 0 0 492.064 4.965 20 0 JJADRN CS[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001435166050 1064561533 /nfs/dbraw/zinc/56/15/33/1064561533.db2.gz SELCAQKEOFQHDH-FUHWJXTLSA-N 0 0 456.612 4.956 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001435165829 1064561579 /nfs/dbraw/zinc/56/15/79/1064561579.db2.gz GXAXLMRVMRIAMS-LJAQVGFWSA-N 0 0 455.342 4.826 20 0 JJADRN CS[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001435166051 1064561670 /nfs/dbraw/zinc/56/16/70/1064561670.db2.gz SELCAQKEOFQHDH-SJLPKXTDSA-N 0 0 456.612 4.956 20 0 JJADRN CCO[C@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)C1CCOCC1 ZINC001435166151 1064561683 /nfs/dbraw/zinc/56/16/83/1064561683.db2.gz TZCNKNDPWCJOAS-QHCPKHFHSA-N 0 0 455.530 4.581 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1CCCSC1 ZINC001359869361 1064562291 /nfs/dbraw/zinc/56/22/91/1064562291.db2.gz WPCAMUWNDWCMFH-XLIONFOSSA-N 0 0 466.598 4.799 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(CCCC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359869704 1064562354 /nfs/dbraw/zinc/56/23/54/1064562354.db2.gz DRWVDRAOMSZXSX-UHFFFAOYSA-N 0 0 466.548 4.753 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359871411 1064562845 /nfs/dbraw/zinc/56/28/45/1064562845.db2.gz XZIVJEHWTCKVGB-FYYLOGMGSA-N 0 0 485.673 4.570 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cc1C ZINC001435167585 1064562985 /nfs/dbraw/zinc/56/29/85/1064562985.db2.gz FRDJBZKRFDSFJD-HXUWFJFHSA-N 0 0 452.576 4.703 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)O[C@@H](C)C2 ZINC001435167556 1064563172 /nfs/dbraw/zinc/56/31/72/1064563172.db2.gz FNWZPPHBILGYJZ-XUEUYAKLSA-N 0 0 452.551 4.786 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC001435167728 1064563281 /nfs/dbraw/zinc/56/32/81/1064563281.db2.gz REDSEZPRJXITBJ-LFPIHBKWSA-N 0 0 455.361 4.626 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359871452 1064563331 /nfs/dbraw/zinc/56/33/31/1064563331.db2.gz UQZBLLMIIOZTSJ-ZIRZBCCLSA-N 0 0 455.549 4.725 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001435168150 1064563485 /nfs/dbraw/zinc/56/34/85/1064563485.db2.gz ALBXJQQJFURRLZ-GPNASLBKSA-N 0 0 454.636 4.734 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)cc2)n1 ZINC001435167981 1064563662 /nfs/dbraw/zinc/56/36/62/1064563662.db2.gz BWADAHFOQSEOFH-UHFFFAOYSA-N 0 0 451.914 4.724 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC001359872349 1064563665 /nfs/dbraw/zinc/56/36/65/1064563665.db2.gz BUCTZDQBBGVGKC-IRFCIJBXSA-N 0 0 465.708 4.729 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359872615 1064563926 /nfs/dbraw/zinc/56/39/26/1064563926.db2.gz DLTCOOSRQYBODD-GOSISDBHSA-N 0 0 497.562 4.569 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359872643 1064563966 /nfs/dbraw/zinc/56/39/66/1064563966.db2.gz DXFCIBUWBNOKHV-GVDBMIGSSA-N 0 0 459.557 4.874 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001435168718 1064564197 /nfs/dbraw/zinc/56/41/97/1064564197.db2.gz BVPYLHXCSFBBGD-UHFFFAOYSA-N 0 0 458.377 4.745 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359874045 1064564532 /nfs/dbraw/zinc/56/45/32/1064564532.db2.gz VEVICJFIPPJLHO-KBPBESRZSA-N 0 0 453.443 4.810 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)nc1C(F)(F)F ZINC001435168794 1064564772 /nfs/dbraw/zinc/56/47/72/1064564772.db2.gz CEEBSERWAGHMEQ-JTQLQIEISA-N 0 0 453.770 4.661 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC001435169846 1064564833 /nfs/dbraw/zinc/56/48/33/1064564833.db2.gz JLOCDWMJPHEYDR-HKBQPEDESA-N 0 0 454.935 4.585 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1csc(-c2ccccc2F)n1 ZINC001435170439 1064565190 /nfs/dbraw/zinc/56/51/90/1064565190.db2.gz IGIZOTJEBRSDBM-CYBMUJFWSA-N 0 0 451.445 4.857 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC001435170967 1064565849 /nfs/dbraw/zinc/56/58/49/1064565849.db2.gz OZSYXHBOHPPDHI-NDEPHWFRSA-N 0 0 458.377 4.947 20 0 JJADRN CC[C@@]1(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435170944 1064565863 /nfs/dbraw/zinc/56/58/63/1064565863.db2.gz OVONSVDOIUKUKR-NLGDKJDOSA-N 0 0 456.608 4.970 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001359875523 1064565952 /nfs/dbraw/zinc/56/59/52/1064565952.db2.gz LBPVTUHHMGUUAF-SXDGJLEOSA-N 0 0 497.684 4.514 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 ZINC001359875737 1064566063 /nfs/dbraw/zinc/56/60/63/1064566063.db2.gz PDGKXDGASLJOOI-UHFFFAOYSA-N 0 0 454.571 4.570 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1Cl ZINC001359876195 1064566747 /nfs/dbraw/zinc/56/67/47/1064566747.db2.gz VGFBTDWVVYJFPH-PZJWPPBQSA-N 0 0 474.049 4.918 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359877222 1064567148 /nfs/dbraw/zinc/56/71/48/1064567148.db2.gz OYYSDNIUVSEWKI-SBUREZEXSA-N 0 0 495.546 4.527 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)CC1=O ZINC001435173511 1064567247 /nfs/dbraw/zinc/56/72/47/1064567247.db2.gz GPMKJUXRJAXFEF-IBGZPJMESA-N 0 0 450.535 4.563 20 0 JJADRN Cc1csc(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1I ZINC001435172883 1064567496 /nfs/dbraw/zinc/56/74/96/1064567496.db2.gz ZSHXONFSORWYNO-UHFFFAOYSA-N 0 0 458.321 4.548 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)[C@@H](C)C1 ZINC001435173865 1064567840 /nfs/dbraw/zinc/56/78/40/1064567840.db2.gz SVIWIRLZFVQJBX-VDDIYKPWSA-N 0 0 454.121 4.747 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cc(F)ccc1F ZINC001359877436 1064567767 /nfs/dbraw/zinc/56/77/67/1064567767.db2.gz HWMUBJNBWUFOJY-HSZRJFAPSA-N 0 0 459.876 4.770 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001359877611 1064567868 /nfs/dbraw/zinc/56/78/68/1064567868.db2.gz CLGDGLTXOBJOEH-RFCQMFNXSA-N 0 0 464.651 4.977 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)N2CCOCC2)C1 ZINC001359877953 1064568173 /nfs/dbraw/zinc/56/81/73/1064568173.db2.gz FGZLDPUMIYZFKB-IBGZPJMESA-N 0 0 490.490 4.691 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC001435174621 1064568195 /nfs/dbraw/zinc/56/81/95/1064568195.db2.gz GFALMVJDSMNOIK-UHFFFAOYSA-N 0 0 450.441 4.967 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCOC[C@@H]1c1ccco1 ZINC001435174600 1064568214 /nfs/dbraw/zinc/56/82/14/1064568214.db2.gz FRDZKCZJJLTIPA-CYBMUJFWSA-N 0 0 455.102 4.765 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001435174788 1064568333 /nfs/dbraw/zinc/56/83/33/1064568333.db2.gz YJBHJFZJBIPCHX-VQTJNVASSA-N 0 0 459.489 4.961 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)s2)o1 ZINC001435175198 1064568861 /nfs/dbraw/zinc/56/88/61/1064568861.db2.gz ZXMMDMMFAREDSG-CQSZACIVSA-N 0 0 451.470 4.927 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001435174792 1064568932 /nfs/dbraw/zinc/56/89/32/1064568932.db2.gz YJBHJFZJBIPCHX-WOJBJXKFSA-N 0 0 459.489 4.961 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCNC(=O)c3ccc(C)cc3)cc12 ZINC001435175736 1064568950 /nfs/dbraw/zinc/56/89/50/1064568950.db2.gz CBPQKNABPRHCQB-UHFFFAOYSA-N 0 0 452.967 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C(C)(C)C)cs2)C1 ZINC001359878368 1064569721 /nfs/dbraw/zinc/56/97/21/1064569721.db2.gz IBPZZNQGLPTNIR-UQBPGWFLSA-N 0 0 475.703 4.993 20 0 JJADRN CSc1cccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)n1 ZINC001435176971 1064569871 /nfs/dbraw/zinc/56/98/71/1064569871.db2.gz CBDCFFVNKOYQLS-UHFFFAOYSA-N 0 0 456.365 4.748 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CC(OC(C)(C)C)C2)C1 ZINC001359878597 1064570068 /nfs/dbraw/zinc/57/00/68/1064570068.db2.gz KFEWZKQTSCNOIG-KBWCOIMZSA-N 0 0 468.646 4.782 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC001435177543 1064570435 /nfs/dbraw/zinc/57/04/35/1064570435.db2.gz KMBRXXVIMQUYDB-UHFFFAOYSA-N 0 0 456.269 4.980 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cc(Br)nn2C)cc1C ZINC001435177234 1064570599 /nfs/dbraw/zinc/57/05/99/1064570599.db2.gz XOSIDHIOZJLIBA-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2F)C1 ZINC001359878912 1064570826 /nfs/dbraw/zinc/57/08/26/1064570826.db2.gz OGPQFFALRKMHBR-INIZCTEOSA-N 0 0 456.953 4.639 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001435178754 1064570941 /nfs/dbraw/zinc/57/09/41/1064570941.db2.gz JQMRNPUTHYWRMP-UHFFFAOYSA-N 0 0 456.930 4.638 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)c2ccccn2)C1 ZINC001359879105 1064571181 /nfs/dbraw/zinc/57/11/81/1064571181.db2.gz PIRHYVWKGPGDIU-HXUWFJFHSA-N 0 0 481.666 4.594 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)c2ccccn2)C1 ZINC001359879104 1064571275 /nfs/dbraw/zinc/57/12/75/1064571275.db2.gz PIRHYVWKGPGDIU-FQEVSTJZSA-N 0 0 481.666 4.594 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)NC(C)C)C1 ZINC001359879223 1064571291 /nfs/dbraw/zinc/57/12/91/1064571291.db2.gz RGJNRWYXTSBGNV-OAHLLOKOSA-N 0 0 482.854 4.758 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435179998 1064571530 /nfs/dbraw/zinc/57/15/30/1064571530.db2.gz OVUNSEHQUHLWGQ-OAHLLOKOSA-N 0 0 452.308 4.628 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 ZINC001359879283 1064571652 /nfs/dbraw/zinc/57/16/52/1064571652.db2.gz SIWYVHDNDRGZFQ-IRFCIJBXSA-N 0 0 462.013 4.872 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001359879247 1064571690 /nfs/dbraw/zinc/57/16/90/1064571690.db2.gz RQSDKZQQKDRDKW-WOJBJXKFSA-N 0 0 492.661 4.787 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)CCOCC2)C1 ZINC001359879289 1064571706 /nfs/dbraw/zinc/57/17/06/1064571706.db2.gz SLHVDZPCASHQEH-QGZVFWFLSA-N 0 0 464.452 4.735 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC001435180240 1064572287 /nfs/dbraw/zinc/57/22/87/1064572287.db2.gz VTHULGRYTKOLBD-UHFFFAOYSA-N 0 0 456.333 4.569 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CSCCS2)C1 ZINC001359879399 1064572437 /nfs/dbraw/zinc/57/24/37/1064572437.db2.gz VGDKYAFRBHEVOA-NVXWUHKLSA-N 0 0 484.533 4.767 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cnn(Cc2ccccc2)c1Br ZINC001435181254 1064572519 /nfs/dbraw/zinc/57/25/19/1064572519.db2.gz LNNAXINTVGJPAH-UHFFFAOYSA-N 0 0 458.316 4.604 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)C1 ZINC001435181399 1064572702 /nfs/dbraw/zinc/57/27/02/1064572702.db2.gz UPPIEGVOLGCWJG-LIXHSBQKSA-N 0 0 459.606 4.789 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(=O)N(C)C)C1 ZINC001359879448 1064572763 /nfs/dbraw/zinc/57/27/63/1064572763.db2.gz WBXBLJHEWVRGNC-HNNXBMFYSA-N 0 0 468.465 4.510 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)C1 ZINC001359879480 1064572824 /nfs/dbraw/zinc/57/28/24/1064572824.db2.gz WQQVLRYYXLEYML-KRWDZBQOSA-N 0 0 453.965 4.779 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)ccn2)CC1 ZINC001435182921 1064573639 /nfs/dbraw/zinc/57/36/39/1064573639.db2.gz GLKINEPVIBIDIB-UHFFFAOYSA-N 0 0 453.583 4.994 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001435184086 1064573972 /nfs/dbraw/zinc/57/39/72/1064573972.db2.gz LQHZYTZWMLUXCN-GOSISDBHSA-N 0 0 457.571 4.532 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1csc(Cc2ccc(F)cc2)n1)C1CC1 ZINC001359881093 1064574224 /nfs/dbraw/zinc/57/42/24/1064574224.db2.gz RTODHRFLTCCLFU-QFIPXVFZSA-N 0 0 452.551 4.652 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 ZINC001435185286 1064574596 /nfs/dbraw/zinc/57/45/96/1064574596.db2.gz OKZQOKAFKYUFRA-UHFFFAOYSA-N 0 0 453.546 4.759 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2cnn(C)n2)C1 ZINC001359881176 1064574977 /nfs/dbraw/zinc/57/49/77/1064574977.db2.gz MTMXEQCZRRLVEO-MRXNPFEDSA-N 0 0 462.429 4.886 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC2CCOCC2)C1 ZINC001359881157 1064575107 /nfs/dbraw/zinc/57/51/07/1064575107.db2.gz MODLLPHGEHSHDN-HXUWFJFHSA-N 0 0 462.038 4.699 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001435186063 1064575190 /nfs/dbraw/zinc/57/51/90/1064575190.db2.gz SWDAQWDJAPBFIS-MRXNPFEDSA-N 0 0 454.368 4.759 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)NCc3ccnc(OC4CCC(C)CC4)c3)n2)cc1F ZINC001435186499 1064575654 /nfs/dbraw/zinc/57/56/54/1064575654.db2.gz SOCRUECPMPTTIV-UHFFFAOYSA-N 0 0 452.530 4.786 20 0 JJADRN Cc1sc(Br)nc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435186369 1064575751 /nfs/dbraw/zinc/57/57/51/1064575751.db2.gz VBXSLEOWIQVRHM-UHFFFAOYSA-N 0 0 452.374 4.760 20 0 JJADRN C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435186603 1064576330 /nfs/dbraw/zinc/57/63/30/1064576330.db2.gz WPUORWFNZSRMAJ-LJQANCHMSA-N 0 0 452.514 4.799 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)C1 ZINC001359882844 1064576578 /nfs/dbraw/zinc/57/65/78/1064576578.db2.gz DFNYCNPDCLKUMO-WOJBJXKFSA-N 0 0 499.647 4.937 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359882366 1064576883 /nfs/dbraw/zinc/57/68/83/1064576883.db2.gz AGGWEEXGJGMGFP-IBGZPJMESA-N 0 0 459.610 4.747 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCS2)C1 ZINC001359882859 1064577198 /nfs/dbraw/zinc/57/71/98/1064577198.db2.gz DJADSLSTBPUUHH-PCCBWWKXSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359883542 1064577818 /nfs/dbraw/zinc/57/78/18/1064577818.db2.gz IQOVTHNRZLHNTA-UNMCSNQZSA-N 0 0 497.581 4.534 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001435188622 1064577943 /nfs/dbraw/zinc/57/79/43/1064577943.db2.gz ALTRYVAIPJCCCY-INIZCTEOSA-N 0 0 455.352 4.644 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359883834 1064578238 /nfs/dbraw/zinc/57/82/38/1064578238.db2.gz JWIGFJGEVBYVDR-RTWAWAEBSA-N 0 0 489.686 4.763 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001359883811 1064578263 /nfs/dbraw/zinc/57/82/63/1064578263.db2.gz JUGZTDKQCRCDFJ-MOPGFXCFSA-N 0 0 467.536 4.777 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359883832 1064578379 /nfs/dbraw/zinc/57/83/79/1064578379.db2.gz JWIGFJGEVBYVDR-LEWJYISDSA-N 0 0 489.686 4.763 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)s2)cc1 ZINC001435188773 1064578401 /nfs/dbraw/zinc/57/84/01/1064578401.db2.gz NXTKOIBOKDGMOY-DOTOQJQBSA-N 0 0 453.564 4.619 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)cc1 ZINC001435189778 1064579003 /nfs/dbraw/zinc/57/90/03/1064579003.db2.gz SMQPRVPFBYBLIJ-RUZDIDTESA-N 0 0 454.636 4.868 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359884791 1064579184 /nfs/dbraw/zinc/57/91/84/1064579184.db2.gz QLJHGLBFWHVMAN-ROUUACIJSA-N 0 0 467.536 4.537 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@@H]2C)C1 ZINC001359884793 1064579373 /nfs/dbraw/zinc/57/93/73/1064579373.db2.gz QNILTLPHTXHRPG-CWBXHPNXSA-N 0 0 489.705 4.938 20 0 JJADRN COc1cc(Cl)cc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001435190250 1064579585 /nfs/dbraw/zinc/57/95/85/1064579585.db2.gz GPAGJJBVKFXMDZ-QHCPKHFHSA-N 0 0 457.979 4.888 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)c2nc(Br)ccc2Br)[C@@H](C)CO1 ZINC001435190089 1064579646 /nfs/dbraw/zinc/57/96/46/1064579646.db2.gz FERKXHKKWBPLTH-SWLSCSKDSA-N 0 0 454.162 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@H]2C)C1 ZINC001359884796 1064579633 /nfs/dbraw/zinc/57/96/33/1064579633.db2.gz QNILTLPHTXHRPG-WZYRSQIMSA-N 0 0 489.705 4.938 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCO2)C1 ZINC001359885105 1064579709 /nfs/dbraw/zinc/57/97/09/1064579709.db2.gz VOZJLCKUABIHJE-IFMALSPDSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)C1 ZINC001359885000 1064579844 /nfs/dbraw/zinc/57/98/44/1064579844.db2.gz UJUJRYRGICTESV-HXUWFJFHSA-N 0 0 473.662 4.612 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359885236 1064580185 /nfs/dbraw/zinc/58/01/85/1064580185.db2.gz XNKDHZBPPYHRLU-HXUWFJFHSA-N 0 0 468.646 4.536 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)C1CCCC1 ZINC001435191659 1064580614 /nfs/dbraw/zinc/58/06/14/1064580614.db2.gz WTDBXBCHTWUUOU-IBGZPJMESA-N 0 0 453.501 4.673 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 ZINC001359885646 1064580700 /nfs/dbraw/zinc/58/07/00/1064580700.db2.gz DOHKPAJVXOUXHQ-LJQANCHMSA-N 0 0 450.631 4.527 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359885736 1064580919 /nfs/dbraw/zinc/58/09/19/1064580919.db2.gz FJXRUAFLHJIVBS-XZOQPEGZSA-N 0 0 483.701 4.748 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001359885586 1064581054 /nfs/dbraw/zinc/58/10/54/1064581054.db2.gz CWBXBLXYQPYUBF-MRXNPFEDSA-N 0 0 492.571 4.604 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2cn[nH]c2)C1 ZINC001359885934 1064581436 /nfs/dbraw/zinc/58/14/36/1064581436.db2.gz IMBIJBLKFCZLQN-FQEVSTJZSA-N 0 0 450.631 4.993 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2c1 ZINC001435192328 1064581605 /nfs/dbraw/zinc/58/16/05/1064581605.db2.gz QADQOJHAMHCWLI-UTKZUKDTSA-N 0 0 453.583 4.934 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435192940 1064581624 /nfs/dbraw/zinc/58/16/24/1064581624.db2.gz TZGQKGHNHQTMFS-IERDGZPVSA-N 0 0 458.484 4.564 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc(Cl)cn2)C1 ZINC001359886146 1064581971 /nfs/dbraw/zinc/58/19/71/1064581971.db2.gz JNYLJZKZGJMDTA-QUCCMNQESA-N 0 0 492.068 4.773 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(Cl)cc1Br ZINC001435193526 1064582058 /nfs/dbraw/zinc/58/20/58/1064582058.db2.gz YBNUZJHDOJQHRN-GFCCVEGCSA-N 0 0 458.581 4.874 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cc(Br)c(F)cc1C ZINC001435193318 1064582074 /nfs/dbraw/zinc/58/20/74/1064582074.db2.gz FNNXFCMXPHZXKD-UHFFFAOYSA-N 0 0 450.308 4.949 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435192952 1064582098 /nfs/dbraw/zinc/58/20/98/1064582098.db2.gz TZGQKGHNHQTMFS-KKSFZXQISA-N 0 0 458.484 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001435193055 1064582173 /nfs/dbraw/zinc/58/21/73/1064582173.db2.gz GGFMBWGOLGAVAZ-OAHLLOKOSA-N 0 0 455.502 4.958 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c1Cl ZINC001435193593 1064582547 /nfs/dbraw/zinc/58/25/47/1064582547.db2.gz WGKABIKTNWSTSG-RHSMWYFYSA-N 0 0 456.391 4.698 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c1Cl ZINC001435193595 1064582578 /nfs/dbraw/zinc/58/25/78/1064582578.db2.gz WGKABIKTNWSTSG-WMLDXEAASA-N 0 0 456.391 4.698 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001435194476 1064582925 /nfs/dbraw/zinc/58/29/25/1064582925.db2.gz KSXWAVWZTKQRQL-RUZDIDTESA-N 0 0 450.583 4.788 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435194274 1064583006 /nfs/dbraw/zinc/58/30/06/1064583006.db2.gz XNLMNSRANSHHDW-IFMALSPDSA-N 0 0 451.567 4.752 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001359887156 1064583032 /nfs/dbraw/zinc/58/30/32/1064583032.db2.gz SCPPRUZUPJVBCE-QFIPXVFZSA-N 0 0 461.658 4.857 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC001435195317 1064583070 /nfs/dbraw/zinc/58/30/70/1064583070.db2.gz HZUGVCPMRSBGSR-CPJSRVTESA-N 0 0 451.588 4.688 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC001435194386 1064583175 /nfs/dbraw/zinc/58/31/75/1064583175.db2.gz JWNWYDGRYNUEMX-UHFFFAOYSA-N 0 0 451.445 4.956 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001435195068 1064583708 /nfs/dbraw/zinc/58/37/08/1064583708.db2.gz LAZMKQVUUNLAMN-ZWNBHQLTSA-N 0 0 451.998 4.520 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C1 ZINC001359887452 1064583974 /nfs/dbraw/zinc/58/39/74/1064583974.db2.gz VVRKAUSZURKQCS-JIPXPUAJSA-N 0 0 470.658 4.833 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359887734 1064584011 /nfs/dbraw/zinc/58/40/11/1064584011.db2.gz XZVBZOSORRZSKF-NZWIATRBSA-N 0 0 493.718 4.524 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC001435196336 1064584764 /nfs/dbraw/zinc/58/47/64/1064584764.db2.gz RZJWIBKXAOHUQD-HXUWFJFHSA-N 0 0 455.345 4.976 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)CC1 ZINC001359888328 1064584997 /nfs/dbraw/zinc/58/49/97/1064584997.db2.gz ARUWIXPCZRARME-NRFANRHFSA-N 0 0 458.500 4.969 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc2c(Br)cnn2c1 ZINC001435197165 1064585295 /nfs/dbraw/zinc/58/52/95/1064585295.db2.gz DEZYMRIZEPMPKS-UHFFFAOYSA-N 0 0 450.218 4.554 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001359888600 1064585892 /nfs/dbraw/zinc/58/58/92/1064585892.db2.gz GMNDBXISCBKCHJ-BTYSJIOQSA-N 0 0 497.728 4.588 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)nn1 ZINC001435198512 1064586175 /nfs/dbraw/zinc/58/61/75/1064586175.db2.gz LWVBLGOCODVISI-UHFFFAOYSA-N 0 0 457.456 4.846 20 0 JJADRN CCc1cccc2c1OCC[C@H]2NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001359888688 1064586353 /nfs/dbraw/zinc/58/63/53/1064586353.db2.gz AQCRGEFOZGZHSU-MRXNPFEDSA-N 0 0 450.848 4.756 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001359888838 1064586591 /nfs/dbraw/zinc/58/65/91/1064586591.db2.gz JAMUFEWUHVQQHU-GAJHUEQPSA-N 0 0 479.463 4.899 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1I ZINC001435199544 1064586637 /nfs/dbraw/zinc/58/66/37/1064586637.db2.gz OJLJEEPWAIPUGZ-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2C1 ZINC001359889070 1064586844 /nfs/dbraw/zinc/58/68/44/1064586844.db2.gz KYXKPLFQJCHZOV-HSZRJFAPSA-N 0 0 472.431 4.754 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359889049 1064587060 /nfs/dbraw/zinc/58/70/60/1064587060.db2.gz KUGVKYKTYLPEII-KNQAVFIVSA-N 0 0 465.436 4.510 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435200117 1064587092 /nfs/dbraw/zinc/58/70/92/1064587092.db2.gz QZVFOOYGWUNONY-QGZVFWFLSA-N 0 0 452.795 4.815 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2coc(-c3ccccc3)n2)ccc1OCc1c(C)noc1C ZINC001435199935 1064587198 /nfs/dbraw/zinc/58/71/98/1064587198.db2.gz MJMWKEHJFHPMSU-BENRWUELSA-N 0 0 459.502 4.864 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(C)C)CC1 ZINC001359889340 1064587403 /nfs/dbraw/zinc/58/74/03/1064587403.db2.gz AQKWVJAEWGWVSU-AREMUKBSSA-N 0 0 456.631 4.776 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@H](C)O1 ZINC001435200473 1064587551 /nfs/dbraw/zinc/58/75/51/1064587551.db2.gz WGITWVPUDYLNLC-ROUUACIJSA-N 0 0 457.412 4.520 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1=O ZINC001435200381 1064587671 /nfs/dbraw/zinc/58/76/71/1064587671.db2.gz YCVHOILJXFTMMD-NVXWUHKLSA-N 0 0 452.942 4.573 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C 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HFSUDILGYBPZHQ-UHFFFAOYSA-N 0 0 451.748 4.550 20 0 JJADRN COc1ccc(Cl)cc1CC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435202056 1064589220 /nfs/dbraw/zinc/58/92/20/1064589220.db2.gz UWTBTWVNEXNEKZ-UHFFFAOYSA-N 0 0 453.642 4.628 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359890367 1064589664 /nfs/dbraw/zinc/58/96/64/1064589664.db2.gz TUQWGRXTKVOICN-VGSWGCGISA-N 0 0 487.998 4.859 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC001435204287 1064590156 /nfs/dbraw/zinc/59/01/56/1064590156.db2.gz NHXYYMOWKCZBDM-UHFFFAOYSA-N 0 0 458.469 4.684 20 0 JJADRN O=C(COCCNC(=O)c1ccccc1)N(c1cccc(Br)c1)C1CCCCC1 ZINC001435204181 1064590272 /nfs/dbraw/zinc/59/02/72/1064590272.db2.gz LOACXYRJVRQVLY-UHFFFAOYSA-N 0 0 459.384 4.561 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 ZINC001359891087 1064590524 /nfs/dbraw/zinc/59/05/24/1064590524.db2.gz XMNPVYDVEFSLKP-MHECFPHRSA-N 0 0 465.038 4.874 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 ZINC001359891085 1064590784 /nfs/dbraw/zinc/59/07/84/1064590784.db2.gz XMNPVYDVEFSLKP-HOYKHHGWSA-N 0 0 465.038 4.874 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1 ZINC001359890888 1064590798 /nfs/dbraw/zinc/59/07/98/1064590798.db2.gz VVHFPZFELMYXTA-LIRRHRJNSA-N 0 0 473.506 4.898 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001359891069 1064591132 /nfs/dbraw/zinc/59/11/32/1064591132.db2.gz OAVMXCIHSPUMJJ-AREMUKBSSA-N 0 0 481.666 4.546 20 0 JJADRN C[S@](=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001435206428 1064591145 /nfs/dbraw/zinc/59/11/45/1064591145.db2.gz MCAYIAIQFZRLFR-NDEPHWFRSA-N 0 0 457.349 4.691 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001359891212 1064591176 /nfs/dbraw/zinc/59/11/76/1064591176.db2.gz PGBOQCXLEOQTNG-CJFMBICVSA-N 0 0 470.017 4.838 20 0 JJADRN C[S@](=O)c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001435205521 1064591344 /nfs/dbraw/zinc/59/13/44/1064591344.db2.gz FZFUZGXVSQKBBS-INZIPBBXSA-N 0 0 456.486 4.647 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359891031 1064591297 /nfs/dbraw/zinc/59/12/97/1064591297.db2.gz NNGUDMLCRIHOCU-AVRWGWEMSA-N 0 0 492.064 4.889 20 0 JJADRN CO[C@@H](C)CN(C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(C)C ZINC001435206985 1064591762 /nfs/dbraw/zinc/59/17/62/1064591762.db2.gz JNRVKLNQCUSCHL-INIZCTEOSA-N 0 0 452.473 4.608 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)c1C ZINC001435207979 1064592412 /nfs/dbraw/zinc/59/24/12/1064592412.db2.gz XSXLYCATFIVYQA-HNNXBMFYSA-N 0 0 453.340 4.706 20 0 JJADRN CS(=O)(=O)c1ccc(OCCC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC001435207637 1064592474 /nfs/dbraw/zinc/59/24/74/1064592474.db2.gz QGTFLIHJFDZONA-UHFFFAOYSA-N 0 0 459.951 4.730 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001359891470 1064592559 /nfs/dbraw/zinc/59/25/59/1064592559.db2.gz RSGWIQGBVYTERV-ZJSXRUAMSA-N 0 0 457.022 4.861 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001359891579 1064592593 /nfs/dbraw/zinc/59/25/93/1064592593.db2.gz UGVYOWGDDQYZTE-RUZDIDTESA-N 0 0 469.033 4.507 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CCCO)CC1 ZINC001359891479 1064592718 /nfs/dbraw/zinc/59/27/18/1064592718.db2.gz RUQKADKCKBHALR-HHHXNRCGSA-N 0 0 465.642 4.669 20 0 JJADRN CCCN(C(=O)/C=C/c1ccc(I)o1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001435208550 1064593036 /nfs/dbraw/zinc/59/30/36/1064593036.db2.gz QFLQTKURVYXQEF-CSTAJBCFSA-N 0 0 457.352 4.874 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1OC ZINC001435211868 1064594209 /nfs/dbraw/zinc/59/42/09/1064594209.db2.gz GQHWEXGGHFZYST-UHFFFAOYSA-N 0 0 450.329 4.585 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 ZINC001359892792 1064594152 /nfs/dbraw/zinc/59/41/52/1064594152.db2.gz ATQTZRIQSPFGQC-RNHFSVANSA-N 0 0 495.734 4.522 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1ncccc1OCC1CCCCC1 ZINC001359892774 1064594162 /nfs/dbraw/zinc/59/41/62/1064594162.db2.gz FLEGZCMQXRLJHK-INIZCTEOSA-N 0 0 458.356 4.868 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC001435212874 1064594491 /nfs/dbraw/zinc/59/44/91/1064594491.db2.gz VTEZHMXFSIWUKF-KFERDVSVSA-N 0 0 453.970 4.948 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001359894007 1064595163 /nfs/dbraw/zinc/59/51/63/1064595163.db2.gz KEUNCVMAXJKBRX-IVCQMTBJSA-N 0 0 489.567 4.669 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC001435214236 1064595617 /nfs/dbraw/zinc/59/56/17/1064595617.db2.gz VEEOUWFVWLCOCL-ZDUSSCGKSA-N 0 0 455.755 4.794 20 0 JJADRN O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(CSC2CCCC2)c1 ZINC001435214590 1064595734 /nfs/dbraw/zinc/59/57/34/1064595734.db2.gz GJXGBQXDZKZNQM-UHFFFAOYSA-N 0 0 458.649 4.974 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001545889571 1064596535 /nfs/dbraw/zinc/59/65/35/1064596535.db2.gz AULMXNUACDHLFF-UHFFFAOYSA-N 0 0 498.672 4.895 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001359895288 1064596615 /nfs/dbraw/zinc/59/66/15/1064596615.db2.gz AKTWFLGHCKGVMN-ATIYNZHBSA-N 0 0 485.076 4.957 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359895326 1064596801 /nfs/dbraw/zinc/59/68/01/1064596801.db2.gz ARVHQRMVYKGIPB-AVRDEDQJSA-N 0 0 454.537 4.624 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001359895608 1064597441 /nfs/dbraw/zinc/59/74/41/1064597441.db2.gz FTGXJGUKTKGMIH-JOCHJYFZSA-N 0 0 470.584 4.721 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217872 1064597594 /nfs/dbraw/zinc/59/75/94/1064597594.db2.gz UKZIXVVXNOYJNB-JBRSBNLGSA-N 0 0 450.579 4.645 20 0 JJADRN CC(=O)c1cccc(OCC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 ZINC001435218142 1064598174 /nfs/dbraw/zinc/59/81/74/1064598174.db2.gz DUWVRZDUPQHNCS-UHFFFAOYSA-N 0 0 459.542 4.669 20 0 JJADRN C=CC(=O)Nc1ccc(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001435218455 1064598323 /nfs/dbraw/zinc/59/83/23/1064598323.db2.gz HZNZGSAOKBCTFC-UHFFFAOYSA-N 0 0 456.542 4.826 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001359896262 1064598359 /nfs/dbraw/zinc/59/83/59/1064598359.db2.gz OECXGLXXVOWAHC-GBXCKJPGSA-N 0 0 490.073 4.744 20 0 JJADRN CC[C@@H]1CCC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001435218641 1064598844 /nfs/dbraw/zinc/59/88/44/1064598844.db2.gz IWDAZJMQUNBKDK-ZJUUUORDSA-N 0 0 454.121 4.891 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001435219977 1064599215 /nfs/dbraw/zinc/59/92/15/1064599215.db2.gz IFVXNLFBAQJQDQ-WIYYLYMNSA-N 0 0 456.608 4.535 20 0 JJADRN CC[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cc1cccc(Br)c1 ZINC001435219334 1064599438 /nfs/dbraw/zinc/59/94/38/1064599438.db2.gz BVDRLJPUXKWUDG-CYBMUJFWSA-N 0 0 458.322 4.538 20 0 JJADRN Cc1c(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)cccc1S(=O)(=O)NC1CC1 ZINC001435219863 1064599767 /nfs/dbraw/zinc/59/97/67/1064599767.db2.gz FDCPLPYNGCPTSK-UHFFFAOYSA-N 0 0 453.391 4.803 20 0 JJADRN Cc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1S(=O)(=O)NC1CC1 ZINC001435219938 1064599927 /nfs/dbraw/zinc/59/99/27/1064599927.db2.gz HIADEFZNGZEMHG-UHFFFAOYSA-N 0 0 455.605 4.935 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359897550 1064600799 /nfs/dbraw/zinc/60/07/99/1064600799.db2.gz ZJWCDYDKKLOVES-KBMIEXCESA-N 0 0 491.080 4.567 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001359898612 1064602440 /nfs/dbraw/zinc/60/24/40/1064602440.db2.gz BHXJSBCKVYIRJN-BVAGGSTKSA-N 0 0 451.590 4.932 20 0 JJADRN C[C@@H](C(=O)NCCCCSc1ccccc1Br)n1ccc(C(F)(F)F)n1 ZINC001435222202 1064603073 /nfs/dbraw/zinc/60/30/73/1064603073.db2.gz SOHJAPCZHTXEAC-LBPRGKRZSA-N 0 0 450.324 4.914 20 0 JJADRN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ncnc3ccsc32)CC1 ZINC001435222427 1064603266 /nfs/dbraw/zinc/60/32/66/1064603266.db2.gz SQVYAAFUQQQUJX-DAFODLJHSA-N 0 0 452.889 4.726 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001359898649 1064603300 /nfs/dbraw/zinc/60/33/00/1064603300.db2.gz FNENSSATHOIWTQ-QGKKGPLKSA-N 0 0 458.647 4.971 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001359898646 1064603364 /nfs/dbraw/zinc/60/33/64/1064603364.db2.gz FNENSSATHOIWTQ-GDLBMTQOSA-N 0 0 458.647 4.971 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 ZINC001359898755 1064603895 /nfs/dbraw/zinc/60/38/95/1064603895.db2.gz HARVDUYSCGIDBZ-CPJSRVTESA-N 0 0 475.678 4.918 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001359898995 1064604691 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O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001435228629 1064608474 /nfs/dbraw/zinc/60/84/74/1064608474.db2.gz HLQRMGOOOGJNRO-QGZVFWFLSA-N 0 0 457.279 4.966 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2cccc3cccnc32)cc1 ZINC001435229455 1064609140 /nfs/dbraw/zinc/60/91/40/1064609140.db2.gz DREXUZUEKBDLGN-UHFFFAOYSA-N 0 0 450.947 4.759 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nnc1C(C)(C)C ZINC001359901147 1064609802 /nfs/dbraw/zinc/60/98/02/1064609802.db2.gz VVLGQIIYAASLAO-VWLOTQADSA-N 0 0 494.055 4.518 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@H](c3ccc(F)cc3)C(C)C)cc2)CC1 ZINC001435230048 1064609848 /nfs/dbraw/zinc/60/98/48/1064609848.db2.gz GIIXHYDBFIPDDH-QHCPKHFHSA-N 0 0 454.542 4.619 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001359901170 1064609981 /nfs/dbraw/zinc/60/99/81/1064609981.db2.gz WDZKIUKCLPLBAH-UQBPGWFLSA-N 0 0 454.640 4.905 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)Cc1cnn2c1CCCC2 ZINC001435231261 1064610849 /nfs/dbraw/zinc/61/08/49/1064610849.db2.gz GAKFTMZGGQNAFM-CYBMUJFWSA-N 0 0 459.413 4.834 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001435231483 1064610884 /nfs/dbraw/zinc/61/08/84/1064610884.db2.gz MOTJBMOAJHZJDO-UHFFFAOYSA-N 0 0 452.551 4.765 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001435231033 1064610926 /nfs/dbraw/zinc/61/09/26/1064610926.db2.gz VLOMQUMPDTXDKO-FOIQADDNSA-N 0 0 450.482 4.556 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001359901751 1064611292 /nfs/dbraw/zinc/61/12/92/1064611292.db2.gz BXCFZUZFHDRIJB-DYESRHJHSA-N 0 0 466.457 4.845 20 0 JJADRN CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001359901948 1064612437 /nfs/dbraw/zinc/61/24/37/1064612437.db2.gz FTNXXTHUTDRWDS-NQIIRXRSSA-N 0 0 483.078 4.911 20 0 JJADRN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)cc1 ZINC001435232499 1064612532 /nfs/dbraw/zinc/61/25/32/1064612532.db2.gz JYRZJUHLQCEZRD-MRXNPFEDSA-N 0 0 458.967 4.680 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 ZINC001359902545 1064614714 /nfs/dbraw/zinc/61/47/14/1064614714.db2.gz PJHMIJCOOHDLFC-UHFFFAOYSA-N 0 0 450.425 4.632 20 0 JJADRN CC(C)CCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001359902678 1064615721 /nfs/dbraw/zinc/61/57/21/1064615721.db2.gz RNKVOKYTRRSYSJ-AREMUKBSSA-N 0 0 469.630 4.837 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c(C)c1 ZINC001435234909 1064615776 /nfs/dbraw/zinc/61/57/76/1064615776.db2.gz QTZLBOBFVIEWRL-LJQANCHMSA-N 0 0 451.592 4.686 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c(C)c1 ZINC001435234906 1064615820 /nfs/dbraw/zinc/61/58/20/1064615820.db2.gz QTZLBOBFVIEWRL-IBGZPJMESA-N 0 0 451.592 4.686 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1ccc(N=S(C)(C)=O)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001435234372 1064615883 /nfs/dbraw/zinc/61/58/83/1064615883.db2.gz ZZTXXLCTIVJMCS-CQSZACIVSA-N 0 0 451.614 4.823 20 0 JJADRN CSCC[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC001435236053 1064616315 /nfs/dbraw/zinc/61/63/15/1064616315.db2.gz FUMVFQJLDZUUED-SJCJKPOMSA-N 0 0 451.375 4.589 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001359902848 1064616353 /nfs/dbraw/zinc/61/63/53/1064616353.db2.gz VQCZONDYMKUGTR-NRFANRHFSA-N 0 0 452.386 4.719 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC ZINC001435238360 1064617961 /nfs/dbraw/zinc/61/79/61/1064617961.db2.gz XPDOFWIBAPQNOX-UHFFFAOYSA-N 0 0 457.017 4.790 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2cccc(OCc3cccc(C)c3)c2)cs1)C(N)=O ZINC001435238628 1064618028 /nfs/dbraw/zinc/61/80/28/1064618028.db2.gz ZTJVLORGXOAXQW-FQEVSTJZSA-N 0 0 455.605 4.568 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1 ZINC001435238210 1064618033 /nfs/dbraw/zinc/61/80/33/1064618033.db2.gz MGKUXVSNMAHSBL-UHFFFAOYSA-N 0 0 459.951 4.526 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001359904241 1064618716 /nfs/dbraw/zinc/61/87/16/1064618716.db2.gz SSJTVIKAEDBMNX-VXKWHMMOSA-N 0 0 459.631 4.601 20 0 JJADRN CC(C)CCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001359904131 1064618813 /nfs/dbraw/zinc/61/88/13/1064618813.db2.gz KBXSLHRZQIXTPM-UHFFFAOYSA-N 0 0 474.369 4.828 20 0 JJADRN Cc1noc(C)c1[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001435239457 1064619028 /nfs/dbraw/zinc/61/90/28/1064619028.db2.gz CABXOOVYWGYCDW-CYBMUJFWSA-N 0 0 456.340 4.726 20 0 JJADRN Cc1ccc(NC(=O)c2nn(C)cc2I)cc1OCC1CCCCC1 ZINC001435241167 1064620364 /nfs/dbraw/zinc/62/03/64/1064620364.db2.gz FZYFZCZSKTZEGP-UHFFFAOYSA-N 0 0 453.324 4.545 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)c2ccccc2)cc1 ZINC001435240940 1064620395 /nfs/dbraw/zinc/62/03/95/1064620395.db2.gz MJVKNQCAEKGKEW-QFIPXVFZSA-N 0 0 450.579 4.627 20 0 JJADRN NC(=O)c1ccc(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nc1Cl ZINC001435241004 1064620533 /nfs/dbraw/zinc/62/05/33/1064620533.db2.gz FMAHOLZNYVROCW-UHFFFAOYSA-N 0 0 450.709 4.863 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001359905894 1064621029 /nfs/dbraw/zinc/62/10/29/1064621029.db2.gz HXYNCSRAYVDQJW-LJQANCHMSA-N 0 0 456.543 4.548 20 0 JJADRN C[C@H](NC(=O)c1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001359906930 1064622433 /nfs/dbraw/zinc/62/24/33/1064622433.db2.gz OSPLFXHLSXUQBL-SFHVURJKSA-N 0 0 452.501 4.871 20 0 JJADRN COc1cc(CN(C)C(=O)CSc2ccccc2Br)c(SC)cc1OC ZINC001435244763 1064622770 /nfs/dbraw/zinc/62/27/70/1064622770.db2.gz DFCFUUOLXSNYNC-UHFFFAOYSA-N 0 0 456.427 4.939 20 0 JJADRN CC(=O)c1cnc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)s1 ZINC001435244252 1064622776 /nfs/dbraw/zinc/62/27/76/1064622776.db2.gz XCFBMYSYTAUMCI-UHFFFAOYSA-N 0 0 458.337 4.542 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)CC)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001435245314 1064623515 /nfs/dbraw/zinc/62/35/15/1064623515.db2.gz SEIRIZDLSHQEQD-HSZRJFAPSA-N 0 0 458.530 4.795 20 0 JJADRN CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(C1)CCOCC2 ZINC001359907901 1064623858 /nfs/dbraw/zinc/62/38/58/1064623858.db2.gz OWEKUYLNWVUSLL-UHFFFAOYSA-N 0 0 475.678 4.836 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC001435246856 1064624502 /nfs/dbraw/zinc/62/45/02/1064624502.db2.gz WFJSTRRGMNYZAP-XMMPIXPASA-N 0 0 452.595 4.884 20 0 JJADRN CC(C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359907999 1064624687 /nfs/dbraw/zinc/62/46/87/1064624687.db2.gz RAASJQLNKFZCJB-ROUUACIJSA-N 0 0 489.583 4.596 20 0 JJADRN CC(C)CCCn1c(CCc2ccccc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001359908573 1064625436 /nfs/dbraw/zinc/62/54/36/1064625436.db2.gz HSDIICJZMWBDDI-UHFFFAOYSA-N 0 0 469.033 4.991 20 0 JJADRN CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c2cc(F)ccc21 ZINC001435248995 1064625920 /nfs/dbraw/zinc/62/59/20/1064625920.db2.gz VJFGMXXSTDUKMQ-QFIPXVFZSA-N 0 0 455.599 4.511 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC001435248373 1064625947 /nfs/dbraw/zinc/62/59/47/1064625947.db2.gz XTRCUOSTVYGBMO-RUZDIDTESA-N 0 0 458.578 4.559 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 ZINC001435248599 1064626043 /nfs/dbraw/zinc/62/60/43/1064626043.db2.gz OYGAAJVNXBBDNP-UHFFFAOYSA-N 0 0 450.604 4.871 20 0 JJADRN CC(C)CCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001359908774 1064626083 /nfs/dbraw/zinc/62/60/83/1064626083.db2.gz KNIIWZVKMBLFEY-UHFFFAOYSA-N 0 0 451.659 4.728 20 0 JJADRN CC(C)CCCn1c(Cc2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001359909496 1064626763 /nfs/dbraw/zinc/62/67/63/1064626763.db2.gz YZDTYJKFJNAEDE-UHFFFAOYSA-N 0 0 454.018 4.842 20 0 JJADRN CC(C)CCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001359909500 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RBYQCLXXLAJCAX-WSTZPKSXSA-N 0 0 463.692 4.959 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS1)C1CC1 ZINC001359926517 1064659455 /nfs/dbraw/zinc/65/94/55/1064659455.db2.gz RBYQCLXXLAJCAX-NSHGMRRFSA-N 0 0 463.692 4.959 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC001435282666 1064659600 /nfs/dbraw/zinc/65/96/00/1064659600.db2.gz MIDMUJANUSTTTB-UHFFFAOYSA-N 0 0 450.988 4.802 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(F)c1 ZINC001435282894 1064660589 /nfs/dbraw/zinc/66/05/89/1064660589.db2.gz LDTNKNVLGAFCGM-HTAPYJJXSA-N 0 0 452.507 4.715 20 0 JJADRN Cc1ccc(OC(=O)c2cc(Cl)ncc2Br)c(I)c1 ZINC001435283015 1064660674 /nfs/dbraw/zinc/66/06/74/1064660674.db2.gz CUOYDDFDKILFDD-UHFFFAOYSA-N 0 0 452.473 4.630 20 0 JJADRN CCCc1cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccc1Cl ZINC001435284584 1064662080 /nfs/dbraw/zinc/66/20/80/1064662080.db2.gz LGKGNPSEAIGGLT-UHFFFAOYSA-N 0 0 455.045 4.501 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)ccc1Cl ZINC001359928492 1064664683 /nfs/dbraw/zinc/66/46/83/1064664683.db2.gz GVMGTKNCKOZHOY-FQEVSTJZSA-N 0 0 452.979 4.827 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001359928729 1064664757 /nfs/dbraw/zinc/66/47/57/1064664757.db2.gz MGAKNJAZMLMQOV-CYBMUJFWSA-N 0 0 455.584 4.843 20 0 JJADRN CCCC1CCC(N(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C(C)C)CC1 ZINC001359929130 1064665507 /nfs/dbraw/zinc/66/55/07/1064665507.db2.gz XILVYBIUIURKBM-QNGMFEMESA-N 0 0 451.677 4.655 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)cc2)c1 ZINC001435289511 1064665549 /nfs/dbraw/zinc/66/55/49/1064665549.db2.gz GOLXGRGOCYCDMC-KRWDZBQOSA-N 0 0 455.507 4.638 20 0 JJADRN CC[C@H](NC(=O)[C@]1(C)CC1(Br)Br)c1nc(C(F)(F)F)cs1 ZINC001435290058 1064665665 /nfs/dbraw/zinc/66/56/65/1064665665.db2.gz JCBKYMVWZXXFFI-WKEGUHRASA-N 0 0 450.118 4.625 20 0 JJADRN CCc1[nH]c(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)c(C)c1C(=O)OC ZINC001435290875 1064666540 /nfs/dbraw/zinc/66/65/40/1064666540.db2.gz QMGFVKYNMZQZTQ-UHFFFAOYSA-N 0 0 453.402 4.735 20 0 JJADRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC001435290947 1064666639 /nfs/dbraw/zinc/66/66/39/1064666639.db2.gz SYTVVZOPZDLVCX-NOZRDPDXSA-N 0 0 454.636 4.886 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001435290231 1064666725 /nfs/dbraw/zinc/66/67/25/1064666725.db2.gz RMQBNYJGSQCHIJ-MZYLBHOOSA-N 0 0 473.013 4.870 20 0 JJADRN C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccc(F)cc2O1 ZINC001435291686 1064667208 /nfs/dbraw/zinc/66/72/08/1064667208.db2.gz RCFVKMPUWOVIBN-ZFWWWQNUSA-N 0 0 451.325 4.799 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC001435291581 1064667304 /nfs/dbraw/zinc/66/73/04/1064667304.db2.gz VOCLRUFOCLYFIV-OPXMRZJTSA-N 0 0 454.636 4.824 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccc(F)cc2O1 ZINC001435291439 1064667341 /nfs/dbraw/zinc/66/73/41/1064667341.db2.gz RCFVKMPUWOVIBN-HIFRSBDPSA-N 0 0 451.325 4.799 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1sc(-c2ccc(OC)cc2F)nc1C ZINC001435292488 1064668204 /nfs/dbraw/zinc/66/82/04/1064668204.db2.gz WXBVRHFWZNHJOI-UHFFFAOYSA-N 0 0 455.555 4.984 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC001435292473 1064668329 /nfs/dbraw/zinc/66/83/29/1064668329.db2.gz BWJZRTPUCMEOKI-IQGLISFBSA-N 0 0 452.982 4.760 20 0 JJADRN Cc1csc([C@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)n1 ZINC001435293240 1064668933 /nfs/dbraw/zinc/66/89/33/1064668933.db2.gz UVYOANVKEDQPIH-OAQYLSRUSA-N 0 0 456.589 4.717 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)nc1 ZINC001435294244 1064670093 /nfs/dbraw/zinc/67/00/93/1064670093.db2.gz MVDDKFNCZLTFAA-OAHLLOKOSA-N 0 0 457.324 4.842 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)Nc1nc2cc(F)ccc2n1C)C1CCCCC1 ZINC001435294652 1064670208 /nfs/dbraw/zinc/67/02/08/1064670208.db2.gz BNXRIXQBNWJJTE-UHFFFAOYSA-N 0 0 454.571 4.848 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001359932632 1064670694 /nfs/dbraw/zinc/67/06/94/1064670694.db2.gz ACCKQZUXMNLCHR-HXUWFJFHSA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001359932913 1064672012 /nfs/dbraw/zinc/67/20/12/1064672012.db2.gz IUJAABXXRXRJJO-UHFFFAOYSA-N 0 0 472.519 4.770 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)c1nccs1 ZINC001359932909 1064672096 /nfs/dbraw/zinc/67/20/96/1064672096.db2.gz IRMXMVXSFSRYFG-AWEZNQCLSA-N 0 0 451.438 4.789 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001359933386 1064673662 /nfs/dbraw/zinc/67/36/62/1064673662.db2.gz QZVGGYCHIPKGNG-QUCCMNQESA-N 0 0 474.049 4.860 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359933329 1064673701 /nfs/dbraw/zinc/67/37/01/1064673701.db2.gz HJIOUKRCCVOJRX-UHFFFAOYSA-N 0 0 467.445 4.928 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC001435299571 1064674456 /nfs/dbraw/zinc/67/44/56/1064674456.db2.gz BOASJBNGUSTJFP-LJQANCHMSA-N 0 0 453.516 4.621 20 0 JJADRN CC(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359933488 1064674497 /nfs/dbraw/zinc/67/44/97/1064674497.db2.gz JDYJBJSCSYSHNA-UHFFFAOYSA-N 0 0 471.602 4.604 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359933561 1064674515 /nfs/dbraw/zinc/67/45/15/1064674515.db2.gz TWRUNVRBUHUQDK-INIZCTEOSA-N 0 0 475.506 4.626 20 0 JJADRN CC(C)CCn1c(-c2ccccc2Br)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001359933469 1064674520 /nfs/dbraw/zinc/67/45/20/1064674520.db2.gz IPRDNVXHHJLRLT-GOSISDBHSA-N 0 0 477.447 4.776 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N1CC[C@@H](COCc2ccccc2)C1 ZINC001435299812 1064675180 /nfs/dbraw/zinc/67/51/80/1064675180.db2.gz KNCNRMNVVQPGSJ-OAHLLOKOSA-N 0 0 455.723 4.624 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001435302358 1064677887 /nfs/dbraw/zinc/67/78/87/1064677887.db2.gz QOYDKDMNVOSMIN-VIFPVBQESA-N 0 0 451.091 4.707 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1c(F)cccc1F ZINC001359934599 1064677992 /nfs/dbraw/zinc/67/79/92/1064677992.db2.gz NOGPGKCHKUBWDQ-QFIPXVFZSA-N 0 0 452.457 4.528 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC001359934968 1064678611 /nfs/dbraw/zinc/67/86/11/1064678611.db2.gz AXIICQMYRUSNHQ-PKOBYXMFSA-N 0 0 453.174 4.791 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935577 1064679346 /nfs/dbraw/zinc/67/93/46/1064679346.db2.gz KCHZCPUNOISGCH-HXUWFJFHSA-N 0 0 451.464 4.982 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1NC(=O)Nc1ccccc1 ZINC001435304543 1064679450 /nfs/dbraw/zinc/67/94/50/1064679450.db2.gz AJHHOHGPKVLRNG-UHFFFAOYSA-N 0 0 457.939 4.948 20 0 JJADRN CCN(C(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001359935686 1064679446 /nfs/dbraw/zinc/67/94/46/1064679446.db2.gz KXNUNUUURPOVMF-DEOSSOPVSA-N 0 0 452.526 4.826 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@H](C)Oc2ccccc2C)cc1 ZINC001435306068 1064680088 /nfs/dbraw/zinc/68/00/88/1064680088.db2.gz ZVZJOPMUUIDCMO-NRFANRHFSA-N 0 0 455.558 4.983 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)C1 ZINC001435307236 1064680938 /nfs/dbraw/zinc/68/09/38/1064680938.db2.gz DUXFFIXQFNIYLY-QFBILLFUSA-N 0 0 452.425 4.548 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001359937856 1064680994 /nfs/dbraw/zinc/68/09/94/1064680994.db2.gz IFGFPSAIRNXHAL-UHFFFAOYSA-N 0 0 453.583 4.777 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001435307857 1064681458 /nfs/dbraw/zinc/68/14/58/1064681458.db2.gz JHZJBSVPHSHGES-GPXNEJASSA-N 0 0 454.998 4.785 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H]1CCO[C@H]1C(C)C ZINC001545890161 1064682636 /nfs/dbraw/zinc/68/26/36/1064682636.db2.gz SIJALVCGOFNABJ-GWJPWWOOSA-N 0 0 471.621 4.520 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359939908 1064684146 /nfs/dbraw/zinc/68/41/46/1064684146.db2.gz ACUMLBFUAGBRKQ-HXUWFJFHSA-N 0 0 461.651 4.815 20 0 JJADRN CC(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001359939992 1064684230 /nfs/dbraw/zinc/68/42/30/1064684230.db2.gz CLOLPXLMHYLPQF-UHFFFAOYSA-N 0 0 473.612 4.812 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 ZINC001435309976 1064684313 /nfs/dbraw/zinc/68/43/13/1064684313.db2.gz QQECTWAZNVKPQD-NRFANRHFSA-N 0 0 453.384 4.544 20 0 JJADRN CCc1cccnc1C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001359940296 1064684239 /nfs/dbraw/zinc/68/42/39/1064684239.db2.gz DGXRQFJENZUQNQ-FQEVSTJZSA-N 0 0 456.315 4.655 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001359940514 1064685029 /nfs/dbraw/zinc/68/50/29/1064685029.db2.gz LIBSYFDXCBRMCF-FGZHOGPDSA-N 0 0 469.630 4.627 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001359940515 1064685039 /nfs/dbraw/zinc/68/50/39/1064685039.db2.gz LIBSYFDXCBRMCF-VXKWHMMOSA-N 0 0 469.630 4.627 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001435311120 1064684950 /nfs/dbraw/zinc/68/49/50/1064684950.db2.gz BJZHCDDVEHKNQU-MBSDFSHPSA-N 0 0 450.579 4.509 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001359940513 1064685134 /nfs/dbraw/zinc/68/51/34/1064685134.db2.gz LIBSYFDXCBRMCF-FCHUYYIVSA-N 0 0 469.630 4.627 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c1 ZINC001359941094 1064685711 /nfs/dbraw/zinc/68/57/11/1064685711.db2.gz MBMXFWFNRGXWAK-QGZVFWFLSA-N 0 0 456.539 4.796 20 0 JJADRN Cc1cccc(C2(CNC(=O)c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)CCCC2)c1 ZINC001359940873 1064685782 /nfs/dbraw/zinc/68/57/82/1064685782.db2.gz KVLIYTJUGBSGHI-UHFFFAOYSA-N 0 0 454.636 4.766 20 0 JJADRN O=C(Nc1ccc(OCc2ccncc2)cc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001359941416 1064685802 /nfs/dbraw/zinc/68/58/02/1064685802.db2.gz KRNTZETWPGSCAV-UHFFFAOYSA-N 0 0 454.317 4.860 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435313596 1064685787 /nfs/dbraw/zinc/68/57/87/1064685787.db2.gz CIVZHEGFYUANGS-FQEVSTJZSA-N 0 0 457.361 4.721 20 0 JJADRN CC(C)OCCCC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001359942164 1064686493 /nfs/dbraw/zinc/68/64/93/1064686493.db2.gz XLLVQHNYUJGMME-HXUWFJFHSA-N 0 0 451.336 4.589 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001359941692 1064686703 /nfs/dbraw/zinc/68/67/03/1064686703.db2.gz WKBZUJXCAXQCJS-VXKWHMMOSA-N 0 0 485.629 4.680 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1OC ZINC001435313708 1064686657 /nfs/dbraw/zinc/68/66/57/1064686657.db2.gz NVPVNQHAHLELCQ-UHFFFAOYSA-N 0 0 457.162 4.761 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001359941693 1064686743 /nfs/dbraw/zinc/68/67/43/1064686743.db2.gz WKBZUJXCAXQCJS-YADHBBJMSA-N 0 0 485.629 4.680 20 0 JJADRN CC(C)COc1ccc(C(C)(C)NC(=O)Cc2ccccc2I)cc1 ZINC001359941791 1064686759 /nfs/dbraw/zinc/68/67/59/1064686759.db2.gz OQCFTOBCFRMMSC-UHFFFAOYSA-N 0 0 451.348 4.920 20 0 JJADRN CC(C)OCCCC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001359942162 1064686772 /nfs/dbraw/zinc/68/67/72/1064686772.db2.gz XLLVQHNYUJGMME-FQEVSTJZSA-N 0 0 451.336 4.589 20 0 JJADRN CC(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359943296 1064687388 /nfs/dbraw/zinc/68/73/88/1064687388.db2.gz WFHCRUIJBYGMHW-FQEVSTJZSA-N 0 0 450.631 4.527 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1=O ZINC001435315635 1064687489 /nfs/dbraw/zinc/68/74/89/1064687489.db2.gz FFMGFTFSHUHAMO-PXNSSMCTSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1cnc([C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C2CC2)s1 ZINC001435315899 1064688369 /nfs/dbraw/zinc/68/83/69/1064688369.db2.gz HGJDTKUKDDOEDA-GOSISDBHSA-N 0 0 451.514 4.590 20 0 JJADRN CC(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359943714 1064689051 /nfs/dbraw/zinc/68/90/51/1064689051.db2.gz GHUWPKODFHFKOD-LJQANCHMSA-N 0 0 461.582 4.536 20 0 JJADRN CC(C)CCn1c(CCCc2ccccc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001359943743 1064689114 /nfs/dbraw/zinc/68/91/14/1064689114.db2.gz HFWHSLPMUIGQER-OAQYLSRUSA-N 0 0 452.672 4.839 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001435316627 1064689198 /nfs/dbraw/zinc/68/91/98/1064689198.db2.gz KNBCWPRFZHPLJG-AVRDEDQJSA-N 0 0 451.567 4.710 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)on1 ZINC001435316595 1064689218 /nfs/dbraw/zinc/68/92/18/1064689218.db2.gz JYEXVUQKXYZJSG-UHFFFAOYSA-N 0 0 455.580 4.642 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001359944293 1064690784 /nfs/dbraw/zinc/69/07/84/1064690784.db2.gz OUPMSZSMLUMJBU-INIZCTEOSA-N 0 0 457.409 4.662 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC001359944318 1064690842 /nfs/dbraw/zinc/69/08/42/1064690842.db2.gz POMKUKCWXKAADK-LJQANCHMSA-N 0 0 456.336 4.792 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2coc(C3CCOCC3)n2)c2ccccc2Cl)c(OC)c1 ZINC001435318477 1064691841 /nfs/dbraw/zinc/69/18/41/1064691841.db2.gz REMCGIDAXQDYMU-QFIPXVFZSA-N 0 0 456.926 4.759 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)cc1OC ZINC001435318719 1064692054 /nfs/dbraw/zinc/69/20/54/1064692054.db2.gz JCQGYSAGGMMUPZ-HNNXBMFYSA-N 0 0 452.414 4.923 20 0 JJADRN CC(C)CCn1c(CCCc2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001359944796 1064692491 /nfs/dbraw/zinc/69/24/91/1064692491.db2.gz ZQHWHDOOBAEIFE-UHFFFAOYSA-N 0 0 458.532 4.871 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319235 1064692677 /nfs/dbraw/zinc/69/26/77/1064692677.db2.gz ZJKYGBPOCAWVFU-OWHZGTRUSA-N 0 0 455.620 4.911 20 0 JJADRN COC(C)(C)C[C@H](C)NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001435319005 1064692684 /nfs/dbraw/zinc/69/26/84/1064692684.db2.gz MCYWIZPTPBQRES-ZDUSSCGKSA-N 0 0 452.502 4.948 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)ccc1N1CCCC1 ZINC001359945782 1064693370 /nfs/dbraw/zinc/69/33/70/1064693370.db2.gz AQASIESWBGTBNC-RTBURBONSA-N 0 0 455.624 4.514 20 0 JJADRN Cc1ccc(CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C(C)C)s1 ZINC001359945572 1064693459 /nfs/dbraw/zinc/69/34/59/1064693459.db2.gz FUVWNVVJQFJQEX-UHFFFAOYSA-N 0 0 458.443 4.810 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)ccc1N1CCCC1 ZINC001359945780 1064693508 /nfs/dbraw/zinc/69/35/08/1064693508.db2.gz AQASIESWBGTBNC-KDURUIRLSA-N 0 0 455.624 4.514 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1C(F)(F)F ZINC001435320084 1064693753 /nfs/dbraw/zinc/69/37/53/1064693753.db2.gz VZGUKBXUJXJGAW-INIZCTEOSA-N 0 0 454.514 4.761 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC001359946708 1064694048 /nfs/dbraw/zinc/69/40/48/1064694048.db2.gz OIJSKIJXRWOOLT-DEOSSOPVSA-N 0 0 450.627 4.813 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001359946073 1064694245 /nfs/dbraw/zinc/69/42/45/1064694245.db2.gz CROPRHZCGXYSCB-PCCBWWKXSA-N 0 0 452.517 4.718 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001435320254 1064694326 /nfs/dbraw/zinc/69/43/26/1064694326.db2.gz YSYWEIXYMKNVDQ-MRXNPFEDSA-N 0 0 456.530 4.546 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C\c2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320151 1064694354 /nfs/dbraw/zinc/69/43/54/1064694354.db2.gz LFMGYTSHYNOCLF-ZBTGYSDGSA-N 0 0 450.888 4.674 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001359946860 1064695047 /nfs/dbraw/zinc/69/50/47/1064695047.db2.gz RHJIKHUIHKGJOK-SFHVURJKSA-N 0 0 459.787 4.885 20 0 JJADRN COC(=O)CC1(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CCOCC1 ZINC001435321057 1064695002 /nfs/dbraw/zinc/69/50/02/1064695002.db2.gz BYMDDKZTZXMBOZ-UHFFFAOYSA-N 0 0 457.910 4.507 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359947125 1064695692 /nfs/dbraw/zinc/69/56/92/1064695692.db2.gz AEOANFPZOBKTHD-PMACEKPBSA-N 0 0 490.693 4.527 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC001435323325 1064696396 /nfs/dbraw/zinc/69/63/96/1064696396.db2.gz IAYXHRGYKHFKNJ-YADHBBJMSA-N 0 0 454.661 4.646 20 0 JJADRN CC(C)CCn1c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359947525 1064696527 /nfs/dbraw/zinc/69/65/27/1064696527.db2.gz NMSDUCDAFVUMIQ-NLJOTIRTSA-N 0 0 470.658 4.969 20 0 JJADRN CC(C)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001359947388 1064696546 /nfs/dbraw/zinc/69/65/46/1064696546.db2.gz KACVLTQGAJXLNQ-ZWKOTPCHSA-N 0 0 471.593 4.647 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2coc(C3CCOCC3)n2)cc1OC ZINC001435326337 1064698915 /nfs/dbraw/zinc/69/89/15/1064698915.db2.gz SQTVMEXWPASCJU-UHFFFAOYSA-N 0 0 456.564 4.532 20 0 JJADRN CC[C@@H](CNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)Oc1ccccc1C ZINC001435327090 1064699222 /nfs/dbraw/zinc/69/92/22/1064699222.db2.gz XWQMPDIZACXCJZ-RAGBYUADSA-N 0 0 459.575 4.682 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc(Br)cc2c1OCCO2 ZINC001435328371 1064699241 /nfs/dbraw/zinc/69/92/41/1064699241.db2.gz KIEYEPXEPKCLBC-IBGZPJMESA-N 0 0 452.348 4.977 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)c1 ZINC001435328820 1064700224 /nfs/dbraw/zinc/70/02/24/1064700224.db2.gz MNNBNRYNLZOUPI-FNZWTVRRSA-N 0 0 451.563 4.945 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1OC ZINC001359949023 1064701561 /nfs/dbraw/zinc/70/15/61/1064701561.db2.gz TZELGAAKWLEKSG-UHFFFAOYSA-N 0 0 452.551 4.524 20 0 JJADRN C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330251 1064701665 /nfs/dbraw/zinc/70/16/65/1064701665.db2.gz UPGKCEHLHAWDMO-MZNJEOGPSA-N 0 0 457.542 4.843 20 0 JJADRN Cc1csc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1Br ZINC001359949739 1064702607 /nfs/dbraw/zinc/70/26/07/1064702607.db2.gz RSQNXEIQEDMJOC-UHFFFAOYSA-N 0 0 458.381 4.563 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001359949914 1064702654 /nfs/dbraw/zinc/70/26/54/1064702654.db2.gz YWLSGUFPWMRMBZ-JOCHJYFZSA-N 0 0 451.954 4.628 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCc2ccn(C)n2)cc1 ZINC001359950008 1064702730 /nfs/dbraw/zinc/70/27/30/1064702730.db2.gz BXSLXGUGJXQBRJ-NHCUHLMSSA-N 0 0 450.631 4.829 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001359950040 1064703244 /nfs/dbraw/zinc/70/32/44/1064703244.db2.gz CQNDCNZRIFZSCP-RFCQMFNXSA-N 0 0 476.712 4.611 20 0 JJADRN COc1ccc([C@@H](C)CC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331700 1064703199 /nfs/dbraw/zinc/70/31/99/1064703199.db2.gz GAVULKAMRKSGRR-AFMDSPMNSA-N 0 0 451.588 4.807 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)s2)cc1OC ZINC001435331824 1064703676 /nfs/dbraw/zinc/70/36/76/1064703676.db2.gz HETNEMWXLCEZAG-UHFFFAOYSA-N 0 0 454.939 4.978 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H]4CCC[C@@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359950117 1064703655 /nfs/dbraw/zinc/70/36/55/1064703655.db2.gz FDBIDCFAJKOTMY-IRLDBZIGSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC(=O)NCC2CC2)cc1 ZINC001359950098 1064703703 /nfs/dbraw/zinc/70/37/03/1064703703.db2.gz DSZBPYXLZHAWIG-HXUWFJFHSA-N 0 0 467.658 4.769 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2CC2(N3CCOCC3)CC2)cc1 ZINC001359950254 1064704386 /nfs/dbraw/zinc/70/43/86/1064704386.db2.gz FSWRIAWVXTVPMB-UHFFFAOYSA-N 0 0 469.674 4.717 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)ccc2NC1=O ZINC001435332955 1064704657 /nfs/dbraw/zinc/70/46/57/1064704657.db2.gz LRMSGPLFNIYLDZ-BUXKBTBVSA-N 0 0 459.333 4.780 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)NCCOC1CCC1 ZINC001435332909 1064704751 /nfs/dbraw/zinc/70/47/51/1064704751.db2.gz NYNSMYUWYSFLIS-UHFFFAOYSA-N 0 0 454.368 4.530 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)cc1 ZINC001359950471 1064704766 /nfs/dbraw/zinc/70/47/66/1064704766.db2.gz JBAYDMBGRMBKHU-OAQYLSRUSA-N 0 0 474.671 4.574 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC001359950352 1064704857 /nfs/dbraw/zinc/70/48/57/1064704857.db2.gz FNHFDLMYHLWUSB-UHFFFAOYSA-N 0 0 454.901 4.939 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CC(=O)NCC2CC2)cc1 ZINC001359950480 1064704892 /nfs/dbraw/zinc/70/48/92/1064704892.db2.gz JJJFXLDSWGWARX-PMACEKPBSA-N 0 0 453.631 4.521 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)ccc2NC1=O ZINC001435333685 1064705927 /nfs/dbraw/zinc/70/59/27/1064705927.db2.gz RCZHOMHZCHLLLO-BLVKFPJESA-N 0 0 459.333 4.780 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435334017 1064705940 /nfs/dbraw/zinc/70/59/40/1064705940.db2.gz QCKAUJNZRSAZJD-UZUQRXQVSA-N 0 0 457.979 4.725 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359950634 1064705889 /nfs/dbraw/zinc/70/58/89/1064705889.db2.gz LTIBHRAUPCTWAA-IBGZPJMESA-N 0 0 495.590 4.921 20 0 JJADRN CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435334732 1064706307 /nfs/dbraw/zinc/70/63/07/1064706307.db2.gz SJHZGZPDGCGEAJ-UHFFFAOYSA-N 0 0 451.567 4.591 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001359950681 1064706469 /nfs/dbraw/zinc/70/64/69/1064706469.db2.gz MNKPTDKUPSTGMN-AMGIVPHBSA-N 0 0 468.642 4.968 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@]2(C)COCCO2)cc1 ZINC001359950683 1064706582 /nfs/dbraw/zinc/70/65/82/1064706582.db2.gz MNKPTDKUPSTGMN-WXVAWEFUSA-N 0 0 468.642 4.968 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001359950682 1064706647 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QPDDZNFIEGYEFM-PWWKTKHKSA-N 0 0 470.658 4.926 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC2(C)CCCC2)cc1 ZINC001359951124 1064708243 /nfs/dbraw/zinc/70/82/43/1064708243.db2.gz SAFYHPRUWKUFHG-FQEVSTJZSA-N 0 0 453.631 4.617 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001435338321 1064708557 /nfs/dbraw/zinc/70/85/57/1064708557.db2.gz CPKFZZCPAFFXJS-LADGPHEKSA-N 0 0 454.611 4.919 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001435338320 1064708642 /nfs/dbraw/zinc/70/86/42/1064708642.db2.gz CPKFZZCPAFFXJS-ISKFKSNPSA-N 0 0 454.611 4.919 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCC(=O)N(C)C)cc1 ZINC001359951173 1064708833 /nfs/dbraw/zinc/70/88/33/1064708833.db2.gz SVLFUVXJCUFALK-UNMCSNQZSA-N 0 0 455.647 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCOC(C)C)cc1 ZINC001359951325 1064709480 /nfs/dbraw/zinc/70/94/80/1064709480.db2.gz VVKMWLXNPGJCNZ-JOCHJYFZSA-N 0 0 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CC(C)CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001359952111 1064713392 /nfs/dbraw/zinc/71/33/92/1064713392.db2.gz MYKFYVZUWXAEPQ-UHFFFAOYSA-N 0 0 469.674 4.717 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H]2COCCO2)cc1 ZINC001359952110 1064713548 /nfs/dbraw/zinc/71/35/48/1064713548.db2.gz MYEQDZZPUHGKCK-VWNXMTODSA-N 0 0 456.631 4.658 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC001435345790 1064713900 /nfs/dbraw/zinc/71/39/00/1064713900.db2.gz OEZXXOJXSXQFJE-CJAUYULYSA-N 0 0 456.542 4.860 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(F)c3occc32)c2cc(F)ccc2F)c1 ZINC001435345810 1064713945 /nfs/dbraw/zinc/71/39/45/1064713945.db2.gz OVVSGMTXDBHTTI-NRFANRHFSA-N 0 0 459.445 4.773 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2cnn(C)c2)cc1 ZINC001359952175 1064713984 /nfs/dbraw/zinc/71/39/84/1064713984.db2.gz OQTJHZGUZJJTIE-HXUWFJFHSA-N 0 0 476.547 4.931 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2cnn(C)c2)cc1 ZINC001359952174 1064714186 /nfs/dbraw/zinc/71/41/86/1064714186.db2.gz OQTJHZGUZJJTIE-FQEVSTJZSA-N 0 0 476.547 4.931 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952341 1064714567 /nfs/dbraw/zinc/71/45/67/1064714567.db2.gz TYFFWXPLCKMUTQ-SFHVURJKSA-N 0 0 481.563 4.675 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952340 1064714650 /nfs/dbraw/zinc/71/46/50/1064714650.db2.gz TYFFWXPLCKMUTQ-GOSISDBHSA-N 0 0 481.563 4.675 20 0 JJADRN O=C(NCCCNC(=O)c1ccccc1F)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001435346810 1064714687 /nfs/dbraw/zinc/71/46/87/1064714687.db2.gz QOLCIOXBESUYCE-UHFFFAOYSA-N 0 0 451.445 4.518 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001359952412 1064714969 /nfs/dbraw/zinc/71/49/69/1064714969.db2.gz VLOSZXXRGRORDI-MQFAKOPTSA-N 0 0 458.672 4.908 20 0 JJADRN CC[C@H](Cc1ccccc1)C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001435348503 1064715177 /nfs/dbraw/zinc/71/51/77/1064715177.db2.gz XPIBMQIMQOFWSE-HOYKHHGWSA-N 0 0 457.542 4.843 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001359952454 1064715298 /nfs/dbraw/zinc/71/52/98/1064715298.db2.gz WLPSQFJZRXLRAM-IRLDBZIGSA-N 0 0 491.627 4.572 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CC2([S@](C)=O)CC2)cc1 ZINC001359952414 1064715317 /nfs/dbraw/zinc/71/53/17/1064715317.db2.gz VLOSZXXRGRORDI-WEZXKFLESA-N 0 0 458.672 4.908 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1C[C@H](c1cccnc1)C(C)C ZINC001545890395 1064715578 /nfs/dbraw/zinc/71/55/78/1064715578.db2.gz ZZEKQOXSGROFIR-DEOSSOPVSA-N 0 0 460.626 4.594 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3c3nncn3C)n2CCC(C)(F)F)cc1 ZINC001359952636 1064715666 /nfs/dbraw/zinc/71/56/66/1064715666.db2.gz YHEQNFWOBNPZPX-HXUWFJFHSA-N 0 0 473.572 4.885 20 0 JJADRN 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CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001359959354 1064731894 /nfs/dbraw/zinc/73/18/94/1064731894.db2.gz YYGAADXBOXZLGS-IFMALSPDSA-N 0 0 474.621 4.579 20 0 JJADRN COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC(F)F ZINC001359960225 1064732270 /nfs/dbraw/zinc/73/22/70/1064732270.db2.gz KEIGNTYGGFHGRQ-UHFFFAOYSA-N 0 0 459.420 4.940 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 ZINC001359959902 1064732336 /nfs/dbraw/zinc/73/23/36/1064732336.db2.gz VUSAJFZYVTUXJR-IBGZPJMESA-N 0 0 454.530 4.810 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c1 ZINC001359960341 1064732380 /nfs/dbraw/zinc/73/23/80/1064732380.db2.gz NWHCNOLQJRQUHC-UHFFFAOYSA-N 0 0 455.507 4.584 20 0 JJADRN C[C@H]1CN(C(=O)c2cncc(OCC(F)F)c2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001435383422 1064732341 /nfs/dbraw/zinc/73/23/41/1064732341.db2.gz CTVPWXCCUJQPDI-KRWDZBQOSA-N 0 0 451.473 4.555 20 0 JJADRN 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CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@]1(C)CCCS1 ZINC001359976189 1064752492 /nfs/dbraw/zinc/75/24/92/1064752492.db2.gz KAFZGJIIHRQIGF-DEOSSOPVSA-N 0 0 454.644 4.614 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359976124 1064752521 /nfs/dbraw/zinc/75/25/21/1064752521.db2.gz HBYBQZQAPLTANG-QFIPXVFZSA-N 0 0 481.645 4.772 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001359975897 1064752646 /nfs/dbraw/zinc/75/26/46/1064752646.db2.gz YDGVCRRBDSTIIF-UHFFFAOYSA-N 0 0 453.269 4.804 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(OC(F)F)c1 ZINC001359976402 1064752957 /nfs/dbraw/zinc/75/29/57/1064752957.db2.gz QCLUJJUBTDTAOI-UHFFFAOYSA-N 0 0 454.481 4.737 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435432753 1064754260 /nfs/dbraw/zinc/75/42/60/1064754260.db2.gz DWLMRFYYNALLIP-RKXCMPKHSA-N 0 0 450.589 4.566 20 0 JJADRN 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CCOc1ccc([C@]2(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)CC2(Cl)Cl)cc1 ZINC001435438637 1064757655 /nfs/dbraw/zinc/75/76/55/1064757655.db2.gz XCBJPIZSKVONNL-MLESSPSPSA-N 0 0 454.419 4.858 20 0 JJADRN CC(C)CN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NCC(F)(F)F)C1CCCC1 ZINC001359982606 1064758167 /nfs/dbraw/zinc/75/81/67/1064758167.db2.gz CVZWALHDSCUFGX-UHFFFAOYSA-N 0 0 477.575 4.832 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)NC3C(C)(C)C3(C)C)[C@@H]2c2ccccc2OC)cc1 ZINC001435440364 1064758598 /nfs/dbraw/zinc/75/85/98/1064758598.db2.gz XLZFAXSRLOCKRM-REWPJTCUSA-N 0 0 450.579 4.739 20 0 JJADRN COC(=O)Cc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC001435440812 1064758666 /nfs/dbraw/zinc/75/86/66/1064758666.db2.gz JWJXMCFHUKFUGD-UHFFFAOYSA-N 0 0 456.498 4.887 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1)C(C)C ZINC001359982795 1064758630 /nfs/dbraw/zinc/75/86/30/1064758630.db2.gz FWIXIHSNMUJVOI-NRFANRHFSA-N 0 0 496.631 4.708 20 0 JJADRN O=C(CSc1nnnn1CC(F)(F)F)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC001435441360 1064758751 /nfs/dbraw/zinc/75/87/51/1064758751.db2.gz GKSSHSGVYXTYLZ-UHFFFAOYSA-N 0 0 459.906 4.771 20 0 JJADRN CC(C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNC(=O)OC(C)(C)C ZINC001359983077 1064759188 /nfs/dbraw/zinc/75/91/88/1064759188.db2.gz QBJPLDHULAHFDS-UHFFFAOYSA-N 0 0 454.040 4.841 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001435442661 1064759659 /nfs/dbraw/zinc/75/96/59/1064759659.db2.gz XMEOAPJUZDRGCA-OTWHNJEPSA-N 0 0 450.760 4.850 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccccc2F)n1Cc1sccc1Br ZINC001359983165 1064759898 /nfs/dbraw/zinc/75/98/98/1064759898.db2.gz UGZDTDMKESRVSC-UHFFFAOYSA-N 0 0 453.381 4.961 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(C)O)cc1)C1CCCC1 ZINC001359983246 1064759977 /nfs/dbraw/zinc/75/99/77/1064759977.db2.gz MSZXIKUPHQYYTA-NDEPHWFRSA-N 0 0 484.685 4.999 20 0 JJADRN COC(=O)c1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1C ZINC001435443733 1064760223 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GMUVEHMIGAEFIL-YJBOKZPZSA-N 0 0 452.942 4.573 20 0 JJADRN C[C@H](NC(=O)COc1ccccc1OCC(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC001435445263 1064761488 /nfs/dbraw/zinc/76/14/88/1064761488.db2.gz FZOQTSMEXDSPQT-LBPRGKRZSA-N 0 0 455.820 4.587 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001435446825 1064761816 /nfs/dbraw/zinc/76/18/16/1064761816.db2.gz UZHDJONDWTVVKL-SNVBAGLBSA-N 0 0 458.799 4.555 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(F)c(I)c3)c2)n1 ZINC001435446474 1064761935 /nfs/dbraw/zinc/76/19/35/1064761935.db2.gz MZJVHRIXXOPYPT-UHFFFAOYSA-N 0 0 451.239 4.603 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435446580 1064761989 /nfs/dbraw/zinc/76/19/89/1064761989.db2.gz AORXQSYWKYOQIU-HSZRJFAPSA-N 0 0 458.624 4.777 20 0 JJADRN O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001435447042 1064762368 /nfs/dbraw/zinc/76/23/68/1064762368.db2.gz FCSIHJUIXGDSLN-UHFFFAOYSA-N 0 0 456.911 4.546 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cc1 ZINC001435446758 1064762459 /nfs/dbraw/zinc/76/24/59/1064762459.db2.gz CELYFUAQXWMQNC-UHFFFAOYSA-N 0 0 458.864 4.670 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2ccccc2)cc1Br ZINC001359985040 1064762641 /nfs/dbraw/zinc/76/26/41/1064762641.db2.gz MTZCPFKENGTNIK-XXBNENTESA-N 0 0 452.348 4.915 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H](Cc2ccccc2)OC)c2ccccc2)cc1Br ZINC001359984819 1064762710 /nfs/dbraw/zinc/76/27/10/1064762710.db2.gz MDUHQXLJJDHAJT-DHIUTWEWSA-N 0 0 454.364 4.921 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)OC)c2ccccc2)cc1Br ZINC001359984822 1064762828 /nfs/dbraw/zinc/76/28/28/1064762828.db2.gz MDUHQXLJJDHAJT-XZOQPEGZSA-N 0 0 454.364 4.921 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)C(=O)OC(C)(C)C ZINC001435448237 1064762988 /nfs/dbraw/zinc/76/29/88/1064762988.db2.gz PXVNQXDCKJAASC-SFHVURJKSA-N 0 0 450.988 4.884 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)c1ccco1)C1CCCC1 ZINC001359985261 1064763856 /nfs/dbraw/zinc/76/38/56/1064763856.db2.gz KFDNZNWVYASSMI-QHCPKHFHSA-N 0 0 490.446 4.952 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC001435449805 1064764033 /nfs/dbraw/zinc/76/40/33/1064764033.db2.gz YHYJRLVBAIILBR-UHFFFAOYSA-N 0 0 451.778 4.979 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3ccc(Oc4ccccc4)nc3)c2C)ccn1 ZINC001435449772 1064764060 /nfs/dbraw/zinc/76/40/60/1064764060.db2.gz PSFRRHWKOSFWQX-UHFFFAOYSA-N 0 0 455.470 4.948 20 0 JJADRN COCCC1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CCCC1 ZINC001435450564 1064764212 /nfs/dbraw/zinc/76/42/12/1064764212.db2.gz KBYSHZFZWOUNGZ-GOSISDBHSA-N 0 0 458.521 4.984 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC001435449784 1064764252 /nfs/dbraw/zinc/76/42/52/1064764252.db2.gz YETJMPYJTXNWKS-FQEVSTJZSA-N 0 0 455.555 4.989 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cnc(-c4ccccc4)nc3C)c2C)ccn1 ZINC001435450645 1064764557 /nfs/dbraw/zinc/76/45/57/1064764557.db2.gz VJUDCENBRDFBRI-UHFFFAOYSA-N 0 0 454.486 4.527 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCOCC1)C1CCCC1 ZINC001359985799 1064764840 /nfs/dbraw/zinc/76/48/40/1064764840.db2.gz QQQVQNVNSOJEIE-UHFFFAOYSA-N 0 0 494.467 4.906 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOC1CCCCCC1)C(C)C ZINC001359985579 1064764980 /nfs/dbraw/zinc/76/49/80/1064764980.db2.gz NKUGWRQOKTUHIA-UHFFFAOYSA-N 0 0 476.687 4.959 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ncoc2-c2ccon2)c2ccccc2)cc1Br ZINC001359985871 1064765301 /nfs/dbraw/zinc/76/53/01/1064765301.db2.gz XKMIMGSZOXBXIV-GOSISDBHSA-N 0 0 454.280 4.620 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@H](F)C1)C1CCCC1 ZINC001359985969 1064765356 /nfs/dbraw/zinc/76/53/56/1064765356.db2.gz SWPYEGZDHUDEEQ-FPOVZHCZSA-N 0 0 491.677 4.739 20 0 JJADRN CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435453926 1064765814 /nfs/dbraw/zinc/76/58/14/1064765814.db2.gz BDVPMOHCBFLXPF-LEWJYISDSA-N 0 0 459.428 4.784 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Br)c2)n1CCCn1ccnn1)C1CCCC1 ZINC001359985972 1064766020 /nfs/dbraw/zinc/76/60/20/1064766020.db2.gz SWVHAPWEJMLMMG-UHFFFAOYSA-N 0 0 472.435 4.794 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccc2Br)n1CCCS(C)(=O)=O)C1CCCC1 ZINC001359986140 1064766614 /nfs/dbraw/zinc/76/66/14/1064766614.db2.gz AGKPHXKXCFTOET-UHFFFAOYSA-N 0 0 483.476 4.547 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435454875 1064766781 /nfs/dbraw/zinc/76/67/81/1064766781.db2.gz FWANFQVORVXPLB-GOTSBHOMSA-N 0 0 456.677 4.965 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)NC(=O)OC(C)(C)C)C(C)C ZINC001359986327 1064767092 /nfs/dbraw/zinc/76/70/92/1064767092.db2.gz HZSICLRACWWGFL-UHFFFAOYSA-N 0 0 473.618 4.848 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)Oc1cccc(Cl)c1 ZINC001435455687 1064767167 /nfs/dbraw/zinc/76/71/67/1064767167.db2.gz UCSKSBKZFUHMEC-MFSJNOQSSA-N 0 0 469.969 4.586 20 0 JJADRN CC(C)CN(c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)c(Cl)c1)C(C)C ZINC001359987159 1064768165 /nfs/dbraw/zinc/76/81/65/1064768165.db2.gz MDFNBJBFOXCURC-UHFFFAOYSA-N 0 0 493.052 4.950 20 0 JJADRN CC(C)CN(c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1C(F)(F)F)C(C)C ZINC001359987006 1064768187 /nfs/dbraw/zinc/76/81/87/1064768187.db2.gz JGGKINXLQAUGBC-UHFFFAOYSA-N 0 0 463.504 4.944 20 0 JJADRN CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCCCCC1)C(C)C ZINC001359987009 1064768239 /nfs/dbraw/zinc/76/82/39/1064768239.db2.gz JHWZQJAFIIFYGB-UHFFFAOYSA-N 0 0 477.657 4.794 20 0 JJADRN CC(C)CN(c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC(F)(F)Br)C1CCCC1 ZINC001359987524 1064768664 /nfs/dbraw/zinc/76/86/64/1064768664.db2.gz STOWVEAZIKNORQ-UHFFFAOYSA-N 0 0 495.372 4.987 20 0 JJADRN Cc1ccc(C(=O)O[C@H](C)c2c(F)cccc2-n2cccn2)cc1I ZINC001435458058 1064768601 /nfs/dbraw/zinc/76/86/01/1064768601.db2.gz GHNOCCXTERQYLN-CYBMUJFWSA-N 0 0 450.251 4.842 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435458504 1064768998 /nfs/dbraw/zinc/76/89/98/1064768998.db2.gz DKXFLMWDBUOUKH-YCRPNKLZSA-N 0 0 454.464 4.889 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCc2ccccc2Sc2ccccc2)cc1 ZINC001359988199 1064769114 /nfs/dbraw/zinc/76/91/14/1064769114.db2.gz WOPRIORJVOYAHJ-GOSISDBHSA-N 0 0 455.601 4.573 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001359988549 1064769171 /nfs/dbraw/zinc/76/91/71/1064769171.db2.gz JODKOMODGFTKDE-FZKQIMNGSA-N 0 0 459.296 4.724 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2 ZINC001359988102 1064769195 /nfs/dbraw/zinc/76/91/95/1064769195.db2.gz SIBSCJLFEVQYLR-MRXNPFEDSA-N 0 0 453.583 4.975 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(OCCC(C)C)c1 ZINC001435459971 1064769512 /nfs/dbraw/zinc/76/95/12/1064769512.db2.gz CTWWRYBRKJVQME-IBGZPJMESA-N 0 0 454.558 4.928 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)C(F)(F)F ZINC001435460696 1064770144 /nfs/dbraw/zinc/77/01/44/1064770144.db2.gz MHHJDTVHHPTGBD-HXUWFJFHSA-N 0 0 450.436 4.619 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(F)(F)F ZINC001435460725 1064770196 /nfs/dbraw/zinc/77/01/96/1064770196.db2.gz MIRSMNMYDGJDMY-IEBWSBKVSA-N 0 0 455.477 4.525 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)O[C@@H](C)c3c(F)cccc3-n3cccn3)c(=O)oc2c1 ZINC001435460674 1064770286 /nfs/dbraw/zinc/77/02/86/1064770286.db2.gz QNFVOHZEYILOKC-INIZCTEOSA-N 0 0 450.466 4.672 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(C(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1 ZINC001435461694 1064771358 /nfs/dbraw/zinc/77/13/58/1064771358.db2.gz UPAMFZNHCHOQQD-HSZRJFAPSA-N 0 0 454.979 4.530 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccc2c(c1)OCCO2)C(C)C ZINC001359990185 1064771517 /nfs/dbraw/zinc/77/15/17/1064771517.db2.gz VKAGOMVTASQURI-FQEVSTJZSA-N 0 0 456.631 4.792 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)NCCc1ccc(Cl)nc1 ZINC001435462158 1064771734 /nfs/dbraw/zinc/77/17/34/1064771734.db2.gz UKRHRCBKRWUCED-UHFFFAOYSA-N 0 0 456.755 4.801 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC001435462398 1064771884 /nfs/dbraw/zinc/77/18/84/1064771884.db2.gz CNAFXJKGGQLUTH-WZONZLPQSA-N 0 0 454.567 4.760 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)nc3C)n2-c2ccc(C)cc2)cc1 ZINC001435463318 1064772906 /nfs/dbraw/zinc/77/29/06/1064772906.db2.gz AHIQQEBDZVITPT-UHFFFAOYSA-N 0 0 459.575 4.994 20 0 JJADRN Cc1sc2ncn(CCC(=O)NCC(C)(C)c3ccc(OCC(C)C)cc3)c(=O)c2c1C ZINC001359991623 1064773726 /nfs/dbraw/zinc/77/37/26/1064773726.db2.gz YZWHFLQFDXRCSY-UHFFFAOYSA-N 0 0 455.624 4.594 20 0 JJADRN CCCCOc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC001435466949 1064774409 /nfs/dbraw/zinc/77/44/09/1064774409.db2.gz ZLCMJTRKXZUMAV-UHFFFAOYSA-N 0 0 450.410 4.724 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)c1 ZINC001435466841 1064774474 /nfs/dbraw/zinc/77/44/74/1064774474.db2.gz FTVACNZAYFQDFY-UHFFFAOYSA-N 0 0 459.477 4.938 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@](C)=O)cc1)C1CCCC1 ZINC001359992149 1064774414 /nfs/dbraw/zinc/77/44/14/1064774414.db2.gz OUAQQEDFGDAHBP-XIFFEERXSA-N 0 0 465.667 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@H]3CCC(F)(F)C3)c(Br)c2C1 ZINC001435467610 1064774801 /nfs/dbraw/zinc/77/48/01/1064774801.db2.gz JLCYYYORMJGOBN-VIFPVBQESA-N 0 0 451.333 4.679 20 0 JJADRN CCCCNC(=O)[C@@H]1CSCN1C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001359992680 1064774940 /nfs/dbraw/zinc/77/49/40/1064774940.db2.gz IEMYCPKSKONCFF-RGDDUWESSA-N 0 0 454.436 4.555 20 0 JJADRN O=C(NCCc1nc2cc(Cl)ccc2s1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435467240 1064774912 /nfs/dbraw/zinc/77/49/12/1064774912.db2.gz JJUKCMWPBHRJMF-CYBMUJFWSA-N 0 0 451.773 4.937 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001359992678 1064775105 /nfs/dbraw/zinc/77/51/05/1064775105.db2.gz IEMYCPKSKONCFF-FOSCPCJNSA-N 0 0 454.436 4.555 20 0 JJADRN Cc1sc([C@H](C)NC(=O)Cn2cccc(C(F)(F)F)c2=O)nc1-c1ccc(Cl)cc1 ZINC001435468832 1064775406 /nfs/dbraw/zinc/77/54/06/1064775406.db2.gz BPNHOKWWWNAOOJ-NSHDSACASA-N 0 0 455.889 4.830 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 ZINC001435468289 1064775461 /nfs/dbraw/zinc/77/54/61/1064775461.db2.gz YHUUWHUFUCDISU-RBBKRZOGSA-N 0 0 454.567 4.699 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@H]2CCCO2)n1CC1(O)CC1 ZINC001359992875 1064775533 /nfs/dbraw/zinc/77/55/33/1064775533.db2.gz HGSBJFCQYNZKEP-GOSISDBHSA-N 0 0 483.838 4.733 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CN(C)C1=O)C(C)C ZINC001359992999 1064775549 /nfs/dbraw/zinc/77/55/49/1064775549.db2.gz JRKMWXDZLPXJAK-SANMLTNESA-N 0 0 455.647 4.504 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCCC1)C1CCCC1 ZINC001359992904 1064775701 /nfs/dbraw/zinc/77/57/01/1064775701.db2.gz HWPMCPKMJHFLGF-UHFFFAOYSA-N 0 0 492.661 4.759 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3ccccc3F)C3CCCC3)cc2)C1 ZINC001435469408 1064775965 /nfs/dbraw/zinc/77/59/65/1064775965.db2.gz DNXKACGRSPNFOU-KOSHJBKYSA-N 0 0 458.599 4.908 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(C(N)=O)nc1)C(C)C ZINC001359993376 1064777169 /nfs/dbraw/zinc/77/71/69/1064777169.db2.gz UBOWCTQXPJIXKR-UHFFFAOYSA-N 0 0 491.423 4.577 20 0 JJADRN CC(C)CN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N(C)C)C1CCCC1 ZINC001359993363 1064777259 /nfs/dbraw/zinc/77/72/59/1064777259.db2.gz SXGSZUOJHWWJSG-UHFFFAOYSA-N 0 0 450.052 4.717 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc1 ZINC001435472100 1064777548 /nfs/dbraw/zinc/77/75/48/1064777548.db2.gz BAGCTELSABZTES-GDBMZVCRSA-N 0 0 450.348 4.625 20 0 JJADRN CC(C)CN(c1nnc(COc2ccccc2F)n1CCn1cc(Br)cn1)C(C)C ZINC001359993581 1064777723 /nfs/dbraw/zinc/77/77/23/1064777723.db2.gz YQEHFEQVQCSBBL-UHFFFAOYSA-N 0 0 479.398 4.526 20 0 JJADRN C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1cccc(N2CCCC2)c1 ZINC001435473481 1064777905 /nfs/dbraw/zinc/77/79/05/1064777905.db2.gz IHDSGJLIMRAJDE-INIZCTEOSA-N 0 0 452.555 4.555 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C1CCCCC1 ZINC001435472874 1064778149 /nfs/dbraw/zinc/77/81/49/1064778149.db2.gz VKUXSPBVTJRWQG-HXUWFJFHSA-N 0 0 459.999 4.960 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001359994779 1064778031 /nfs/dbraw/zinc/77/80/31/1064778031.db2.gz CTLIQWGUSGIBKM-UHFFFAOYSA-N 0 0 486.414 4.507 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359993764 1064778097 /nfs/dbraw/zinc/77/80/97/1064778097.db2.gz VTDZELGFWAXMIU-WDEREUQCSA-N 0 0 459.456 4.669 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359993761 1064778143 /nfs/dbraw/zinc/77/81/43/1064778143.db2.gz VTDZELGFWAXMIU-GHMZBOCLSA-N 0 0 459.456 4.669 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359994759 1064778238 /nfs/dbraw/zinc/77/82/38/1064778238.db2.gz BQLMIGMGCONAHF-HKUYNNGSSA-N 0 0 461.582 4.659 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001359994879 1064778614 /nfs/dbraw/zinc/77/86/14/1064778614.db2.gz JQHRMJRSHWYEMA-LJQANCHMSA-N 0 0 471.621 4.879 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC001435474287 1064778629 /nfs/dbraw/zinc/77/86/29/1064778629.db2.gz RKGUXIAUICEZSM-NEPJUHHUSA-N 0 0 459.153 4.865 20 0 JJADRN Cc1ccc(CNC(=O)C(F)(F)c2ccc(Br)cc2)c(OC[C@@H]2CCOC2)c1 ZINC001435476254 1064779738 /nfs/dbraw/zinc/77/97/38/1064779738.db2.gz HWXAWJYLDCOKKK-OAHLLOKOSA-N 0 0 454.311 4.581 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)Nc1cc(F)cc(Cl)c1 ZINC001435476032 1064779786 /nfs/dbraw/zinc/77/97/86/1064779786.db2.gz HRTNWOACWFDZON-UHFFFAOYSA-N 0 0 458.696 4.725 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359995289 1064780128 /nfs/dbraw/zinc/78/01/28/1064780128.db2.gz HBQFVNYZHPSSMF-OAHLLOKOSA-N 0 0 482.398 4.606 20 0 JJADRN CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001359995212 1064780305 /nfs/dbraw/zinc/78/03/05/1064780305.db2.gz BZFOHGGAOIDJDW-CVEARBPZSA-N 0 0 464.632 4.727 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359995465 1064780529 /nfs/dbraw/zinc/78/05/29/1064780529.db2.gz SYHQTTNBXFYJMY-GOSISDBHSA-N 0 0 478.435 4.857 20 0 JJADRN C[C@H]1N(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCOC1(C)C ZINC001435477770 1064780615 /nfs/dbraw/zinc/78/06/15/1064780615.db2.gz XOGRJXCKGAGWQA-MRXNPFEDSA-N 0 0 456.999 4.706 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001359995560 1064781184 /nfs/dbraw/zinc/78/11/84/1064781184.db2.gz YPJUOEBHYSKDBO-KRWDZBQOSA-N 0 0 493.381 4.587 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001359995561 1064781197 /nfs/dbraw/zinc/78/11/97/1064781197.db2.gz YPJUOEBHYSKDBO-QGZVFWFLSA-N 0 0 493.381 4.587 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1 ZINC001359996950 1064782096 /nfs/dbraw/zinc/78/20/96/1064782096.db2.gz HKDZNBWKBYPTMX-KRWDZBQOSA-N 0 0 451.592 4.702 20 0 JJADRN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nc(Cc2ccccc2)ns1 ZINC001359996662 1064782183 /nfs/dbraw/zinc/78/21/83/1064782183.db2.gz CFKKPMVSRVLDJY-UHFFFAOYSA-N 0 0 456.571 4.753 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)[C@H]1c1cccnc1 ZINC001435480124 1064782144 /nfs/dbraw/zinc/78/21/44/1064782144.db2.gz TWXYYLAAAGLOJK-XUZZJYLKSA-N 0 0 451.929 4.767 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCCOc1ccc(F)c(F)c1 ZINC001359996655 1064782344 /nfs/dbraw/zinc/78/23/44/1064782344.db2.gz BXINGQNNNFKKNR-UHFFFAOYSA-N 0 0 459.337 4.650 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001359997464 1064782971 /nfs/dbraw/zinc/78/29/71/1064782971.db2.gz BRTHLTLCLGGBNC-UHFFFAOYSA-N 0 0 471.454 4.846 20 0 JJADRN CC(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359997856 1064783553 /nfs/dbraw/zinc/78/35/53/1064783553.db2.gz FGOLXPNNGXMWLC-UHFFFAOYSA-N 0 0 479.629 4.623 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359998059 1064783705 /nfs/dbraw/zinc/78/37/05/1064783705.db2.gz LQUDWJYVBUEUIW-FXAWDEMLSA-N 0 0 466.586 4.606 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c(OC2CCCC2)c1 ZINC001359998131 1064783792 /nfs/dbraw/zinc/78/37/92/1064783792.db2.gz CNCJZZGMKBSDMK-JOCHJYFZSA-N 0 0 454.592 4.787 20 0 JJADRN C[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483375 1064783796 /nfs/dbraw/zinc/78/37/96/1064783796.db2.gz NLBJCWIIHIWMNS-VIFPVBQESA-N 0 0 459.291 4.816 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1ccc(Cl)cc1Br ZINC001435484002 1064783823 /nfs/dbraw/zinc/78/38/23/1064783823.db2.gz KZOKOEHJJBCNCS-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN CC(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359998074 1064783964 /nfs/dbraw/zinc/78/39/64/1064783964.db2.gz MKHKGFKTFSJKQR-FQEVSTJZSA-N 0 0 493.656 4.916 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC001435484932 1064784495 /nfs/dbraw/zinc/78/44/95/1064784495.db2.gz QTNIULMWKRFJBB-FBLLAGFSSA-N 0 0 459.590 4.862 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc(Br)c2ccccc2c1 ZINC001359998699 1064784777 /nfs/dbraw/zinc/78/47/77/1064784777.db2.gz KVDSPBWXPBZHCM-LJQANCHMSA-N 0 0 459.340 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NCCOc2ccc(F)c(F)c2)CC1 ZINC001359998786 1064784954 /nfs/dbraw/zinc/78/49/54/1064784954.db2.gz IRDOXJTXOYHMEA-SFHVURJKSA-N 0 0 452.542 4.667 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCC2 ZINC001435486165 1064784905 /nfs/dbraw/zinc/78/49/05/1064784905.db2.gz XFYXJYIXDIBRDK-IJDCVRSUSA-N 0 0 454.567 4.698 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3F)c2)c1 ZINC001359999071 1064785367 /nfs/dbraw/zinc/78/53/67/1064785367.db2.gz PZAOFLIKXIVHKA-QHCPKHFHSA-N 0 0 450.535 4.867 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cc(Cl)c1Br ZINC001359999777 1064785996 /nfs/dbraw/zinc/78/59/96/1064785996.db2.gz YHLJSOBSMNTKSR-HNNXBMFYSA-N 0 0 457.752 4.704 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2Br)c1Cl ZINC001435488732 1064786347 /nfs/dbraw/zinc/78/63/47/1064786347.db2.gz AHDVOWYDLSPKNL-UHFFFAOYSA-N 0 0 452.153 4.907 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)c1ccc(I)cc1)CCC2 ZINC001435488321 1064786520 /nfs/dbraw/zinc/78/65/20/1064786520.db2.gz MAHQFBKOCFKNCV-LRDDRELGSA-N 0 0 454.377 4.950 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001360001321 1064787091 /nfs/dbraw/zinc/78/70/91/1064787091.db2.gz JIJCFLLBLYPCDA-HHHXNRCGSA-N 0 0 483.657 4.801 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccccc2I)c1 ZINC001360002171 1064787956 /nfs/dbraw/zinc/78/79/56/1064787956.db2.gz HHVMLTUSODCNPW-UHFFFAOYSA-N 0 0 453.276 4.535 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1OC ZINC001435493686 1064788117 /nfs/dbraw/zinc/78/81/17/1064788117.db2.gz LYOGAESLYQUPGN-HNNXBMFYSA-N 0 0 450.329 4.667 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001435493462 1064788142 /nfs/dbraw/zinc/78/81/42/1064788142.db2.gz QULNVNDFXHFIAY-MRXNPFEDSA-N 0 0 455.805 4.706 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001435494166 1064788484 /nfs/dbraw/zinc/78/84/84/1064788484.db2.gz BDXHVJWSIIPGBC-XJKSGUPXSA-N 0 0 454.562 4.907 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001435494163 1064788541 /nfs/dbraw/zinc/78/85/41/1064788541.db2.gz BDXHVJWSIIPGBC-CZUORRHYSA-N 0 0 454.562 4.907 20 0 JJADRN COc1cccc(CCC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1OC ZINC001435495346 1064789085 /nfs/dbraw/zinc/78/90/85/1064789085.db2.gz MPGIGHVPDNKNTL-UHFFFAOYSA-N 0 0 458.312 4.620 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C(=O)OC(C)(C)C ZINC001435496163 1064789440 /nfs/dbraw/zinc/78/94/40/1064789440.db2.gz XIFPEXAQIXXPLO-INIZCTEOSA-N 0 0 450.333 4.584 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(C)c(OC)c1 ZINC001545891436 1064789564 /nfs/dbraw/zinc/78/95/64/1064789564.db2.gz AJAPGFJPSIMEBT-NHCUHLMSSA-N 0 0 453.631 4.578 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)c2)c1 ZINC001360003368 1064789617 /nfs/dbraw/zinc/78/96/17/1064789617.db2.gz WGLSIICKMZWRJY-UHFFFAOYSA-N 0 0 450.560 4.609 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCc2ccc(Br)s2)cc1 ZINC001360003886 1064789630 /nfs/dbraw/zinc/78/96/30/1064789630.db2.gz XZAAJERKUXCCFJ-MRXNPFEDSA-N 0 0 453.427 4.682 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1)ccc2Br ZINC001360003748 1064789702 /nfs/dbraw/zinc/78/97/02/1064789702.db2.gz WRVBLJMSRWJRPH-SFHVURJKSA-N 0 0 459.365 4.966 20 0 JJADRN COc1ncc(/C=C\C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)cn1 ZINC001435496742 1064790026 /nfs/dbraw/zinc/79/00/26/1064790026.db2.gz GZZXXBDYBYPIRT-LAUAKBEESA-N 0 0 459.369 4.570 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)cs1 ZINC001435497294 1064790211 /nfs/dbraw/zinc/79/02/11/1064790211.db2.gz RHHCIDAAGGNBDG-UHFFFAOYSA-N 0 0 451.417 4.843 20 0 JJADRN Cc1ccc(CC(=O)N2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3C)CC2)cc1 ZINC001360004388 1064790645 /nfs/dbraw/zinc/79/06/45/1064790645.db2.gz JVBLXIYRRLPZEH-UHFFFAOYSA-N 0 0 450.623 4.673 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001360004354 1064790847 /nfs/dbraw/zinc/79/08/47/1064790847.db2.gz INWMVRJCFCCBET-SFHVURJKSA-N 0 0 463.420 4.529 20 0 JJADRN CCC(CC)(CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C)c1ccc(Cl)cc1 ZINC001360004381 1064790850 /nfs/dbraw/zinc/79/08/50/1064790850.db2.gz JQXHDWILHIFVBT-PXLXIMEGSA-N 0 0 453.974 4.516 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004677 1064791184 /nfs/dbraw/zinc/79/11/84/1064791184.db2.gz QBDVATVHEADDMS-RBUKOAKNSA-N 0 0 475.609 4.782 20 0 JJADRN CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C=CCCC1 ZINC001435499274 1064791341 /nfs/dbraw/zinc/79/13/41/1064791341.db2.gz ZREMQTQSISYNLD-UUOWRZLLSA-N 0 0 450.604 4.872 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001360004552 1064791327 /nfs/dbraw/zinc/79/13/27/1064791327.db2.gz OPZGDIFPCLZOOR-UHFFFAOYSA-N 0 0 489.064 4.767 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccco1 ZINC001435501272 1064791689 /nfs/dbraw/zinc/79/16/89/1064791689.db2.gz SKKRZLCKFLTJRI-OAQYLSRUSA-N 0 0 452.308 4.756 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(I)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001435502113 1064792279 /nfs/dbraw/zinc/79/22/79/1064792279.db2.gz GHMZEWYSZDNWRU-CYBMUJFWSA-N 0 0 453.295 4.639 20 0 JJADRN C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001435503737 1064792768 /nfs/dbraw/zinc/79/27/68/1064792768.db2.gz PQRUYDQCQOBZRH-RVHYNSKXSA-N 0 0 450.348 4.768 20 0 JJADRN C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001435503733 1064792870 /nfs/dbraw/zinc/79/28/70/1064792870.db2.gz PQRUYDQCQOBZRH-ONGXBYRLSA-N 0 0 450.348 4.768 20 0 JJADRN Cc1cc(I)cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC001435503308 1064792904 /nfs/dbraw/zinc/79/29/04/1064792904.db2.gz 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O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1csc(-c2ncc[nH]2)n1 ZINC001435505046 1064793763 /nfs/dbraw/zinc/79/37/63/1064793763.db2.gz VYVYQKAXPXBVMA-KRWDZBQOSA-N 0 0 457.328 4.954 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)c3ccc(OC)c(Cl)c3)cc2)c1C ZINC001435506364 1064794166 /nfs/dbraw/zinc/79/41/66/1064794166.db2.gz YJVGBELHFFWCTQ-UHFFFAOYSA-N 0 0 455.942 4.533 20 0 JJADRN COc1ccc(N(C)C(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1Cl ZINC001435506081 1064794221 /nfs/dbraw/zinc/79/42/21/1064794221.db2.gz VBKLJUVORUUTCZ-UHFFFAOYSA-N 0 0 456.749 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC001435507341 1064794677 /nfs/dbraw/zinc/79/46/77/1064794677.db2.gz LOHUIJOJIOWOKK-QFIPXVFZSA-N 0 0 453.608 4.713 20 0 JJADRN Cc1nn(CC(=O)N[C@H]2COc3c2cccc3Cl)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001435507953 1064794939 /nfs/dbraw/zinc/79/49/39/1064794939.db2.gz QTOHOMRAGMICPY-INIZCTEOSA-N 0 0 452.864 4.785 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)C[C@@H](C)c1ccccc1C(F)(F)F)CC2 ZINC001435507891 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ZINC001435622018 1064883404 /nfs/dbraw/zinc/88/34/04/1064883404.db2.gz WLHZTNJLPCQKDB-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1nnn(Cc2ccc(F)cc2)c1CC ZINC001360054685 1064883468 /nfs/dbraw/zinc/88/34/68/1064883468.db2.gz OPUGFPJNSAPRPN-UHFFFAOYSA-N 0 0 458.559 4.816 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 ZINC001360054857 1064884036 /nfs/dbraw/zinc/88/40/36/1064884036.db2.gz OOLCIWKEQCTTOO-UNMCSNQZSA-N 0 0 499.656 4.516 20 0 JJADRN Cc1sc(Br)nc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001360055056 1064884182 /nfs/dbraw/zinc/88/41/82/1064884182.db2.gz SZIKNAWIBRBLIC-UHFFFAOYSA-N 0 0 457.415 4.714 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 ZINC001360054854 1064884246 /nfs/dbraw/zinc/88/42/46/1064884246.db2.gz OOLCIWKEQCTTOO-IFMALSPDSA-N 0 0 499.656 4.516 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCC2(c3cccc(OC)c3)CCCC2)CC[C@@H]1c1ccc(C)o1 ZINC001360054904 1064884257 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BVRVSAKAZLBTHL-HXUWFJFHSA-N 0 0 452.364 4.757 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CCCO2)C1 ZINC001360056349 1064887187 /nfs/dbraw/zinc/88/71/87/1064887187.db2.gz BSIXHGYCQHJAQI-FOIQADDNSA-N 0 0 469.449 4.590 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(OC)cc3)c3ccccc3OC)CC2=O)cc1 ZINC001435625852 1064887122 /nfs/dbraw/zinc/88/71/22/1064887122.db2.gz JIMAVEANJQZMNO-ZBLYBZFDSA-N 0 0 458.558 4.525 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC001435626007 1064887188 /nfs/dbraw/zinc/88/71/88/1064887188.db2.gz MNTJERZAZQLZGZ-UHFFFAOYSA-N 0 0 450.583 4.892 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(OC)cc3)c3ccccc3OC)CC2=O)cc1 ZINC001435625850 1064887261 /nfs/dbraw/zinc/88/72/61/1064887261.db2.gz JIMAVEANJQZMNO-JIPXPUAJSA-N 0 0 458.558 4.525 20 0 JJADRN CCOc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2cccc(Cl)c2)cc1 ZINC001435626428 1064887852 /nfs/dbraw/zinc/88/78/52/1064887852.db2.gz MQQSFZPIDRWIIF-CYFREDJKSA-N 0 0 452.938 4.586 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCOC2)C1 ZINC001360056882 1064889384 /nfs/dbraw/zinc/88/93/84/1064889384.db2.gz GLIFOSUSYLNEMD-NVXWUHKLSA-N 0 0 483.838 4.649 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc2OC)cc1 ZINC001435627792 1064889672 /nfs/dbraw/zinc/88/96/72/1064889672.db2.gz WTTLZMBMQFOUCT-XMMPIXPASA-N 0 0 453.922 4.577 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627323 1064889778 /nfs/dbraw/zinc/88/97/78/1064889778.db2.gz YFOUSLRDFKNAHP-XXBNENTESA-N 0 0 453.627 4.903 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)s1 ZINC001435628276 1064890295 /nfs/dbraw/zinc/89/02/95/1064890295.db2.gz ACQUODWTNLMDPN-UHFFFAOYSA-N 0 0 458.952 4.826 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001435628454 1064890316 /nfs/dbraw/zinc/89/03/16/1064890316.db2.gz GSDBVNWRLVCKHX-QFQMRYFISA-N 0 0 455.396 4.921 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001360057710 1064890862 /nfs/dbraw/zinc/89/08/62/1064890862.db2.gz NASCFPPRTJJBGL-YKSBVNFPSA-N 0 0 490.435 4.806 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)C1 ZINC001360057434 1064890909 /nfs/dbraw/zinc/89/09/09/1064890909.db2.gz LDOTWPOKBNTOMC-WMZOPIPTSA-N 0 0 453.414 4.930 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCC2)C1 ZINC001360057323 1064890993 /nfs/dbraw/zinc/89/09/93/1064890993.db2.gz JWGQXVUQPHNYQK-MRXNPFEDSA-N 0 0 483.838 4.527 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCCO2)C1 ZINC001360057997 1064892416 /nfs/dbraw/zinc/89/24/16/1064892416.db2.gz OTWFXPCXANSFCW-SJORKVTESA-N 0 0 483.838 4.791 20 0 JJADRN COc1ccc(-c2nc(CC(=O)NCCc3ccc(OC(C)(C)C)cc3)cs2)cc1OC ZINC001435631406 1064892590 /nfs/dbraw/zinc/89/25/90/1064892590.db2.gz HBZMIVYHVWNBQV-UHFFFAOYSA-N 0 0 454.592 4.906 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NCc2ccc(Cl)cc2OCC)[C@H]1c1ccc(OC)cc1 ZINC001435631240 1064892657 /nfs/dbraw/zinc/89/26/57/1064892657.db2.gz MRPBGDOTUHDRNA-XUZZJYLKSA-N 0 0 458.986 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 ZINC001360058172 1064893151 /nfs/dbraw/zinc/89/31/51/1064893151.db2.gz XBUZLOYHWHGGHH-SYGIOELKSA-N 0 0 456.564 4.956 20 0 JJADRN CCCN(CC)c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC001435631735 1064893244 /nfs/dbraw/zinc/89/32/44/1064893244.db2.gz KWECHSAXOBCXNB-KDOFPFPSSA-N 0 0 450.461 4.846 20 0 JJADRN O=C(CCCC1CCOCC1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001435632203 1064893286 /nfs/dbraw/zinc/89/32/86/1064893286.db2.gz NPZSLIKRSYYXEM-UHFFFAOYSA-N 0 0 450.623 4.534 20 0 JJADRN CCCN(CC)c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC001435631732 1064893389 /nfs/dbraw/zinc/89/33/89/1064893389.db2.gz KWECHSAXOBCXNB-KBXCAEBGSA-N 0 0 450.461 4.846 20 0 JJADRN COc1cccc([C@@H](C)C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435632556 1064893434 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456.642 4.797 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001360058857 1064896758 /nfs/dbraw/zinc/89/67/58/1064896758.db2.gz XIQPYCKKFXWBLU-QVKFZJNVSA-N 0 0 495.443 4.521 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)C1 ZINC001360058913 1064897652 /nfs/dbraw/zinc/89/76/52/1064897652.db2.gz YNAQHKNQYRLKNV-YIXXDRMTSA-N 0 0 488.648 4.687 20 0 JJADRN Cc1cccc(C)c1CNC(=O)Cc1cc(Br)cc(I)c1 ZINC001435637446 1064898839 /nfs/dbraw/zinc/89/88/39/1064898839.db2.gz VKQGCMKPIFKCIA-UHFFFAOYSA-N 0 0 458.137 4.529 20 0 JJADRN CCOC(=O)CN(C(=O)[C@H]1CCC(=O)c2ccccc21)[C@@H](C)c1cccc(Br)c1 ZINC001435638592 1064899746 /nfs/dbraw/zinc/89/97/46/1064899746.db2.gz GGBFFMXOTQBPSD-YWZLYKJASA-N 0 0 458.352 4.662 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCCc3ccc(Oc4ccc(F)cc4)cc3)CC2=O)ccc1F ZINC001435638855 1064899768 /nfs/dbraw/zinc/89/97/68/1064899768.db2.gz HGJCPHUHOCAHCB-LJQANCHMSA-N 0 0 450.485 4.777 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC001360061048 1064900310 /nfs/dbraw/zinc/90/03/10/1064900310.db2.gz TWVVGRQJNIMOBU-UHFFFAOYSA-N 0 0 454.567 4.746 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001360061313 1064900324 /nfs/dbraw/zinc/90/03/24/1064900324.db2.gz UYFYOVMDKDJFSK-KRWDZBQOSA-N 0 0 493.505 4.828 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001360061314 1064900391 /nfs/dbraw/zinc/90/03/91/1064900391.db2.gz UYFYOVMDKDJFSK-QGZVFWFLSA-N 0 0 493.505 4.828 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001435639841 1064900919 /nfs/dbraw/zinc/90/09/19/1064900919.db2.gz LPLXKGNFIZNCQU-LEWJYISDSA-N 0 0 454.954 4.806 20 0 JJADRN CCC1(CC)[C@@H](NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C[C@@H]1OC ZINC001435640767 1064901292 /nfs/dbraw/zinc/90/12/92/1064901292.db2.gz BUUCGLGMGPZUEZ-HOTGVXAUSA-N 0 0 457.411 4.892 20 0 JJADRN 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GHEYCRMCMNFKRC-SIKLNZKXSA-N 0 0 476.712 4.897 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)N1CCCCc2c(Br)cccc21 ZINC001435670031 1064923785 /nfs/dbraw/zinc/92/37/85/1064923785.db2.gz XIDNQWXWSWYUDM-UHFFFAOYSA-N 0 0 454.162 4.907 20 0 JJADRN CC(C)CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001360076136 1064923779 /nfs/dbraw/zinc/92/37/79/1064923779.db2.gz GHEYCRMCMNFKRC-KNQAVFIVSA-N 0 0 476.712 4.897 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c(Br)c1 ZINC001435671529 1064924387 /nfs/dbraw/zinc/92/43/87/1064924387.db2.gz AQFORFFIHYKGLV-KDOFPFPSSA-N 0 0 457.409 4.964 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360076370 1064925723 /nfs/dbraw/zinc/92/57/23/1064925723.db2.gz NBZBZPOALUIAMX-OAQYLSRUSA-N 0 0 457.688 4.856 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 ZINC001360076420 1064925822 /nfs/dbraw/zinc/92/58/22/1064925822.db2.gz PAGXEDXQDWOUAX-OAHLLOKOSA-N 0 0 471.440 4.851 20 0 JJADRN COc1cc([C@@H](NC(=O)Cc2c(Cl)cccc2Cl)C(F)(F)F)cc(OC)c1OC ZINC001435673300 1064926501 /nfs/dbraw/zinc/92/65/01/1064926501.db2.gz OBLTWAWEWZKQJJ-GOSISDBHSA-N 0 0 452.256 4.982 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001435674672 1064927240 /nfs/dbraw/zinc/92/72/40/1064927240.db2.gz RXOARLZWEOSJRX-ATANMQQVSA-N 0 0 450.554 4.555 20 0 JJADRN CC(C)CSCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360076627 1064927270 /nfs/dbraw/zinc/92/72/70/1064927270.db2.gz SJIKTHVJNHDJDN-IBGZPJMESA-N 0 0 461.651 4.557 20 0 JJADRN CC(C)CSCCCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360076744 1064927615 /nfs/dbraw/zinc/92/76/15/1064927615.db2.gz UMZXFMSAHGZAHW-UXHICEINSA-N 0 0 490.718 4.802 20 0 JJADRN CC(C)CSCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001360076739 1064927665 /nfs/dbraw/zinc/92/76/65/1064927665.db2.gz UMRBYMKGPAPBLP-ROUUACIJSA-N 0 0 480.078 4.518 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC[C@@H](c4ccc(C)o4)N3C(=O)OCC)ccc21 ZINC001435675919 1064928729 /nfs/dbraw/zinc/92/87/29/1064928729.db2.gz PQEHLAXLAOYLDL-LEWJYISDSA-N 0 0 453.539 4.578 20 0 JJADRN CC(C)CSCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 ZINC001360076922 1064928949 /nfs/dbraw/zinc/92/89/49/1064928949.db2.gz HBXFUCDKLUPSMU-LEWJYISDSA-N 0 0 495.734 4.848 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1c(CC)nn(C)c1CC ZINC001435676497 1064929168 /nfs/dbraw/zinc/92/91/68/1064929168.db2.gz CIOVWZNRSJTDQF-IBGZPJMESA-N 0 0 450.549 4.624 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001360077102 1064929735 /nfs/dbraw/zinc/92/97/35/1064929735.db2.gz JWNGMJVGOHXABE-IBGZPJMESA-N 0 0 495.093 4.790 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N(C)Cc2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435678969 1064929833 /nfs/dbraw/zinc/92/98/33/1064929833.db2.gz FDTQASUYYQSCII-SZNDQCEHSA-N 0 0 456.867 4.853 20 0 JJADRN CC(C)CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360077159 1064930211 /nfs/dbraw/zinc/93/02/11/1064930211.db2.gz ZRKVNTCNZJTQAK-GOSISDBHSA-N 0 0 470.481 4.676 20 0 JJADRN CC[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(C)ccc1OC ZINC001435679915 1064930293 /nfs/dbraw/zinc/93/02/93/1064930293.db2.gz MGOISIDXLSHTPW-FQEVSTJZSA-N 0 0 451.972 4.750 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cc2c(Br)cnn2C)cc1 ZINC001435679716 1064930467 /nfs/dbraw/zinc/93/04/67/1064930467.db2.gz ZQOKDFXYCJBWQY-UHFFFAOYSA-N 0 0 456.384 4.743 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001360077271 1064930738 /nfs/dbraw/zinc/93/07/38/1064930738.db2.gz MPLCVATWQNKBPF-JOCHJYFZSA-N 0 0 487.718 4.539 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435682074 1064931005 /nfs/dbraw/zinc/93/10/05/1064931005.db2.gz MQJNWDITFMJNES-DOPYIHRPSA-N 0 0 456.558 4.597 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435680944 1064931169 /nfs/dbraw/zinc/93/11/69/1064931169.db2.gz JKNQGYPFEWYYIT-BBATYDOGSA-N 0 0 459.153 4.786 20 0 JJADRN CO[C@@](C)(C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1F ZINC001360078757 1064932079 /nfs/dbraw/zinc/93/20/79/1064932079.db2.gz GIDDDPIWMIZRSJ-RUZDIDTESA-N 0 0 455.913 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)C1CCCCCC1 ZINC001360078492 1064932249 /nfs/dbraw/zinc/93/22/49/1064932249.db2.gz WRIVFRWPUGXXEB-NQIIRXRSSA-N 0 0 451.558 4.523 20 0 JJADRN COc1ccc2c(c1)OCC(C(=O)N[C@@H](c1c(C)nn(-c3ccccc3)c1C)C(F)(F)F)=C2 ZINC001435684980 1064932847 /nfs/dbraw/zinc/93/28/47/1064932847.db2.gz WIIMEJFDMMNWOD-QFIPXVFZSA-N 0 0 457.452 4.693 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360079211 1064933214 /nfs/dbraw/zinc/93/32/14/1064933214.db2.gz DNPYPHBPPWTFTN-QGZVFWFLSA-N 0 0 452.615 4.930 20 0 JJADRN CC(C)CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc21 ZINC001360079276 1064933339 /nfs/dbraw/zinc/93/33/39/1064933339.db2.gz GJGUDBZTXLHLBE-UHFFFAOYSA-N 0 0 455.653 4.743 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1csc(-c2ccccc2)n1 ZINC001435686018 1064933241 /nfs/dbraw/zinc/93/32/41/1064933241.db2.gz UTGNRWBKYDQSMF-GOSISDBHSA-N 0 0 459.493 4.750 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1csc(-c2ccccc2)n1 ZINC001435686022 1064933345 /nfs/dbraw/zinc/93/33/45/1064933345.db2.gz UTGNRWBKYDQSMF-SFHVURJKSA-N 0 0 459.493 4.750 20 0 JJADRN CCC(C)(C)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC001435686544 1064933431 /nfs/dbraw/zinc/93/34/31/1064933431.db2.gz IXHXKEIKJCRCOB-UHFFFAOYSA-N 0 0 459.608 4.527 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001360079378 1064934006 /nfs/dbraw/zinc/93/40/06/1064934006.db2.gz RKSKRAZKDHFDNC-HSZRJFAPSA-N 0 0 456.558 4.812 20 0 JJADRN CC(C)CSCCCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360079458 1064934064 /nfs/dbraw/zinc/93/40/64/1064934064.db2.gz JMTIUKYVCKANKJ-DBXWQHBBSA-N 0 0 478.625 4.733 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360079644 1064934653 /nfs/dbraw/zinc/93/46/53/1064934653.db2.gz LZGOLKOYBBGJMX-PGRDOPGGSA-N 0 0 464.626 4.932 20 0 JJADRN CC(C)CSCCCn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360079801 1064935174 /nfs/dbraw/zinc/93/51/74/1064935174.db2.gz PCLNEPWFVOMPOX-AREMUKBSSA-N 0 0 487.714 4.554 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001360079993 1064935848 /nfs/dbraw/zinc/93/58/48/1064935848.db2.gz SAMZJDXQVVBVRV-WZOHSFFVSA-N 0 0 476.662 4.560 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)c2)cs1 ZINC001435690329 1064935924 /nfs/dbraw/zinc/93/59/24/1064935924.db2.gz AYKDBLUBQMFABG-UHFFFAOYSA-N 0 0 450.486 4.723 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)Nc3cc(OC)c(Br)c(OC)c3)cc2c1 ZINC001435690401 1064936080 /nfs/dbraw/zinc/93/60/80/1064936080.db2.gz DPNPCEBMQXTCLI-UHFFFAOYSA-N 0 0 451.704 4.929 20 0 JJADRN COc1cc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc(OC)c1Br ZINC001435691139 1064936452 /nfs/dbraw/zinc/93/64/52/1064936452.db2.gz LTOWJSYJVDLWOY-UHFFFAOYSA-N 0 0 451.317 4.910 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001435691063 1064937251 /nfs/dbraw/zinc/93/72/51/1064937251.db2.gz IHRQBROGNKNZDU-QVKFZJNVSA-N 0 0 458.356 4.714 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360080272 1064937852 /nfs/dbraw/zinc/93/78/52/1064937852.db2.gz XZPVMCJPAXDNRB-KRWDZBQOSA-N 0 0 452.615 4.930 20 0 JJADRN Cn1ncc2cc(C(=O)N[C@@H](COc3cccc(F)c3)c3cccc(C(F)(F)F)c3)cnc21 ZINC001435691890 1064938386 /nfs/dbraw/zinc/93/83/86/1064938386.db2.gz RQDJWGHYEJLXTE-FQEVSTJZSA-N 0 0 458.415 4.676 20 0 JJADRN CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001360080479 1064938430 /nfs/dbraw/zinc/93/84/30/1064938430.db2.gz IPTCMVHWOCCMEN-SFHVURJKSA-N 0 0 490.743 4.525 20 0 JJADRN CC(C)CSCCn1c(C(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001360080399 1064938452 /nfs/dbraw/zinc/93/84/52/1064938452.db2.gz GVWPECUTTKTLBW-OALUTQOASA-N 0 0 451.681 4.626 20 0 JJADRN CC(C)(C)n1cc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nn1 ZINC001435692215 1064939035 /nfs/dbraw/zinc/93/90/35/1064939035.db2.gz VFTUTMAEDMTQRT-IBGZPJMESA-N 0 0 450.436 4.741 20 0 JJADRN CC(C)CSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001360080696 1064939063 /nfs/dbraw/zinc/93/90/63/1064939063.db2.gz OQDRBAHZQICVKR-UHFFFAOYSA-N 0 0 477.009 4.744 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001360080732 1064939099 /nfs/dbraw/zinc/93/90/99/1064939099.db2.gz PYNKFDVNWPUXAM-OAQYLSRUSA-N 0 0 491.105 4.570 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001360080828 1064939397 /nfs/dbraw/zinc/93/93/97/1064939397.db2.gz SJOBXXCAPBFNSF-SFHVURJKSA-N 0 0 466.717 4.501 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC001360081141 1064940129 /nfs/dbraw/zinc/94/01/29/1064940129.db2.gz BXBKXSCGUYEDEE-HXUWFJFHSA-N 0 0 459.409 4.657 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC001360081134 1064940198 /nfs/dbraw/zinc/94/01/98/1064940198.db2.gz BTTNJICPHHPMLC-MRXNPFEDSA-N 0 0 459.384 4.514 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1 ZINC001435693600 1064940741 /nfs/dbraw/zinc/94/07/41/1064940741.db2.gz ZVNMQDOFDQGYIY-QRWLVFNGSA-N 0 0 450.373 4.898 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001435693805 1064940921 /nfs/dbraw/zinc/94/09/21/1064940921.db2.gz HJHWVAXABMZPCR-UHFFFAOYSA-N 0 0 450.526 4.838 20 0 JJADRN Cc1cc(F)c(NC(=O)c2ccc(Br)cc2F)c(I)c1 ZINC001435694113 1064940978 /nfs/dbraw/zinc/94/09/78/1064940978.db2.gz QIBADVROFKCFMU-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN O=C(Nc1cccc(OCc2cscn2)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001360082169 1064941590 /nfs/dbraw/zinc/94/15/90/1064941590.db2.gz ZPJFBWZCZBZWET-UHFFFAOYSA-N 0 0 452.463 4.646 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001360082531 1064942101 /nfs/dbraw/zinc/94/21/01/1064942101.db2.gz DWWZFWFKWHULBJ-UHFFFAOYSA-N 0 0 478.041 4.635 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360082620 1064942216 /nfs/dbraw/zinc/94/22/16/1064942216.db2.gz HUUWNICAIUYSLB-KRWDZBQOSA-N 0 0 463.623 4.577 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001360082749 1064943020 /nfs/dbraw/zinc/94/30/20/1064943020.db2.gz LMESQHAOEXPETR-UHFFFAOYSA-N 0 0 493.027 4.988 20 0 JJADRN CO[C@@H](C(=O)N1CCc2cc(Br)cc(C)c2C1)c1ccc(Br)s1 ZINC001435696976 1064943543 /nfs/dbraw/zinc/94/35/43/1064943543.db2.gz OSLDWEXUAKHZMK-MRXNPFEDSA-N 0 0 459.203 4.854 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001360082933 1064943528 /nfs/dbraw/zinc/94/35/28/1064943528.db2.gz QPCRKEZNTRQYCJ-UHFFFAOYSA-N 0 0 483.661 4.713 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Nc2c(F)cccc2F)cc1C ZINC001435697890 1064943860 /nfs/dbraw/zinc/94/38/60/1064943860.db2.gz WKXAAGRVFMDBTC-UHFFFAOYSA-N 0 0 459.518 4.584 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001360083045 1064944059 /nfs/dbraw/zinc/94/40/59/1064944059.db2.gz UYFYSWBKXGLLJH-UHFFFAOYSA-N 0 0 455.603 4.901 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001435698613 1064944630 /nfs/dbraw/zinc/94/46/30/1064944630.db2.gz CFTCEGBXXYOACR-QGZVFWFLSA-N 0 0 456.167 4.854 20 0 JJADRN CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360083354 1064945199 /nfs/dbraw/zinc/94/51/99/1064945199.db2.gz DSGLETTUPYKQOO-JXFKEZNVSA-N 0 0 481.588 4.982 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001360083486 1064945256 /nfs/dbraw/zinc/94/52/56/1064945256.db2.gz IJALZJCRAKZXJB-QZTJIDSGSA-N 0 0 476.716 4.582 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(Cl)cccc1OCC1CC1 ZINC001435699934 1064946149 /nfs/dbraw/zinc/94/61/49/1064946149.db2.gz MKSOTDIPZZRTPQ-QGZVFWFLSA-N 0 0 453.753 4.971 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001435699989 1064946227 /nfs/dbraw/zinc/94/62/27/1064946227.db2.gz DOKOPDMNIAYECI-LFVRLGFBSA-N 0 0 457.933 4.668 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435701234 1064946701 /nfs/dbraw/zinc/94/67/01/1064946701.db2.gz QHDSBMGOTSQQMQ-CLCXKQKWSA-N 0 0 458.430 4.874 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435701243 1064946897 /nfs/dbraw/zinc/94/68/97/1064946897.db2.gz QHDSBMGOTSQQMQ-VCBZYWHSSA-N 0 0 458.430 4.874 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)co1 ZINC001435703308 1064947377 /nfs/dbraw/zinc/94/73/77/1064947377.db2.gz VCVJCGOFBJYBJI-PKYBCLHXSA-N 0 0 451.350 4.950 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001360085524 1064947438 /nfs/dbraw/zinc/94/74/38/1064947438.db2.gz CCGLUCIBUKGBRE-TZIWHRDSSA-N 0 0 465.063 4.793 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC001435704425 1064947858 /nfs/dbraw/zinc/94/78/58/1064947858.db2.gz LUWPMWXKKWIAHR-BGYRXZFFSA-N 0 0 452.570 4.747 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001435704624 1064947973 /nfs/dbraw/zinc/94/79/73/1064947973.db2.gz WOGAXVUDPTUYOA-AVHYGJPMSA-N 0 0 453.395 4.684 20 0 JJADRN Cc1cc(Br)cc2cc([C@H](C(C)C)N(C)C(=O)[C@H]3CCc4nnn(C)c4C3)oc21 ZINC001435705362 1064948542 /nfs/dbraw/zinc/94/85/42/1064948542.db2.gz CSIITYPDRFRKPY-XOBRGWDASA-N 0 0 459.388 4.593 20 0 JJADRN Cc1cc(Br)cc2cc([C@H](C(C)C)N(C)C(=O)[C@@H]3CCc4nnn(C)c4C3)oc21 ZINC001435705357 1064948566 /nfs/dbraw/zinc/94/85/66/1064948566.db2.gz CSIITYPDRFRKPY-VLIAUNLRSA-N 0 0 459.388 4.593 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001360085819 1064948662 /nfs/dbraw/zinc/94/86/62/1064948662.db2.gz JHNAMHJTUPURGM-IBGZPJMESA-N 0 0 464.079 4.541 20 0 JJADRN CC(C)CSCCn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360085849 1064948819 /nfs/dbraw/zinc/94/88/19/1064948819.db2.gz KCOWVETYYVYWSY-FQEVSTJZSA-N 0 0 467.724 4.949 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001360086435 1064950472 /nfs/dbraw/zinc/95/04/72/1064950472.db2.gz YHVYPXICXYFUTA-ZCNNSNEGSA-N 0 0 465.708 4.874 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001435713045 1064951484 /nfs/dbraw/zinc/95/14/84/1064951484.db2.gz DJLVYLJXADDHPG-INIZCTEOSA-N 0 0 459.732 4.867 20 0 JJADRN CC(C)CSCCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001360087148 1064951590 /nfs/dbraw/zinc/95/15/90/1064951590.db2.gz MTBWVIWWTAALBA-HSZRJFAPSA-N 0 0 460.644 4.557 20 0 JJADRN CC(C)CSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360087319 1064952035 /nfs/dbraw/zinc/95/20/35/1064952035.db2.gz QXJRCCLFKQZVGY-LJQANCHMSA-N 0 0 465.708 4.846 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360087501 1064952126 /nfs/dbraw/zinc/95/21/26/1064952126.db2.gz UELPLSBUKDIULD-LJQANCHMSA-N 0 0 493.603 4.710 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H]1c1cccc(C)c1 ZINC001360087585 1064952664 /nfs/dbraw/zinc/95/26/64/1064952664.db2.gz NILQPTVIMXAOLN-ILBGXUMGSA-N 0 0 452.620 4.955 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1C(C)C ZINC001435716141 1064952959 /nfs/dbraw/zinc/95/29/59/1064952959.db2.gz WTLOXZAAZNROOF-FQEVSTJZSA-N 0 0 454.933 4.632 20 0 JJADRN CC(C)CSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001360087681 1064953183 /nfs/dbraw/zinc/95/31/83/1064953183.db2.gz XUQSPKATVNBWGF-XZOQPEGZSA-N 0 0 499.725 4.791 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001435718051 1064953366 /nfs/dbraw/zinc/95/33/66/1064953366.db2.gz CWMGAKCMPBRYIS-ZCFIWIBFSA-N 0 0 455.075 4.509 20 0 JJADRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCO1 ZINC001435717599 1064953482 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JJADRN CC[C@@H](C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001435723653 1064956151 /nfs/dbraw/zinc/95/61/51/1064956151.db2.gz XLYSATFYRBLTMC-KRWDZBQOSA-N 0 0 456.337 4.731 20 0 JJADRN Cc1nc([C@@H](NC(=O)Cc2cc(Br)ccc2Cl)c2ccc(Cl)cc2)no1 ZINC001435723817 1064956167 /nfs/dbraw/zinc/95/61/67/1064956167.db2.gz KMHCFJSXMZFHGB-KRWDZBQOSA-N 0 0 455.139 4.896 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001360089746 1064956528 /nfs/dbraw/zinc/95/65/28/1064956528.db2.gz YMHWDYOEYXNQRW-DENIHFKCSA-N 0 0 498.697 4.871 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cc(Br)cs2)CC1 ZINC001360089544 1064956585 /nfs/dbraw/zinc/95/65/85/1064956585.db2.gz ULZNJPOTEQCOIF-UHFFFAOYSA-N 0 0 482.492 4.531 20 0 JJADRN O=C(N[C@H]1CCCOc2cc(F)ccc21)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435724553 1064956952 /nfs/dbraw/zinc/95/69/52/1064956952.db2.gz PZZANXWIFPOUJH-RBUKOAKNSA-N 0 0 451.325 4.767 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001360089902 1064957026 /nfs/dbraw/zinc/95/70/26/1064957026.db2.gz MYSGICXXXLWAOO-UHFFFAOYSA-N 0 0 482.579 4.583 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(F)F)c2)CC1 ZINC001360089884 1064957096 /nfs/dbraw/zinc/95/70/96/1064957096.db2.gz MMLNCLVBRULPLG-NRFANRHFSA-N 0 0 475.584 4.589 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001435727546 1064959033 /nfs/dbraw/zinc/95/90/33/1064959033.db2.gz JSVFQUALZDIQJS-UHFFFAOYSA-N 0 0 454.636 4.703 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2Cl)CC1 ZINC001360091870 1064959075 /nfs/dbraw/zinc/95/90/75/1064959075.db2.gz JSRCHTZBDWOTJD-UHFFFAOYSA-N 0 0 460.066 4.846 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@H](c3noc(C)n3)c3ccc(Cl)cc3)nc2)cc1 ZINC001435728311 1064959622 /nfs/dbraw/zinc/95/96/22/1064959622.db2.gz XLZAHKVLNCLSDM-NRFANRHFSA-N 0 0 450.882 4.747 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(C)C)CC1 ZINC001360092188 1064959915 /nfs/dbraw/zinc/95/99/15/1064959915.db2.gz WBRNTJGEKMKXNQ-UHFFFAOYSA-N 0 0 453.675 4.829 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1Cl ZINC001435728569 1064960418 /nfs/dbraw/zinc/96/04/18/1064960418.db2.gz ALTHSIKDNUWGGM-VIFPVBQESA-N 0 0 456.800 4.619 20 0 JJADRN COCC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C)o1 ZINC001435729070 1064960847 /nfs/dbraw/zinc/96/08/47/1064960847.db2.gz BEXKOLCAWLYRLC-GTCCEBARSA-N 0 0 450.938 4.573 20 0 JJADRN COc1ccc(C(=O)NCCCC(=O)Nc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC001435729482 1064960886 /nfs/dbraw/zinc/96/08/86/1064960886.db2.gz CGQCNUOQNGESQI-UHFFFAOYSA-N 0 0 456.546 4.550 20 0 JJADRN CC[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)c(F)c1 ZINC001435730719 1064961321 /nfs/dbraw/zinc/96/13/21/1064961321.db2.gz LRSUVUQQPWNUJE-IBGZPJMESA-N 0 0 456.377 4.718 20 0 JJADRN CCc1c(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)nnn1Cc1ccccc1 ZINC001435730842 1064961378 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PJMVFWXKXMYJNK-UHFFFAOYSA-N 0 0 453.539 4.716 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CCOc1ccccc1I ZINC001360093993 1064965214 /nfs/dbraw/zinc/96/52/14/1064965214.db2.gz STDWZLMEHJRXKK-MRXNPFEDSA-N 0 0 457.739 4.851 20 0 JJADRN O=C(Oc1cccc(OCC(F)(F)F)c1)c1cc(Br)ncc1Br ZINC001360094446 1064966000 /nfs/dbraw/zinc/96/60/00/1064966000.db2.gz YTGRVGISUPCAOG-UHFFFAOYSA-N 0 0 455.024 4.767 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)CCC2 ZINC001435741990 1064966794 /nfs/dbraw/zinc/96/67/94/1064966794.db2.gz ZNLGXJXBWMKGES-SJORKVTESA-N 0 0 452.389 4.564 20 0 JJADRN O=C(O[C@H](c1cc(Br)cs1)C(F)(F)F)c1ccc(=O)n(-c2ccccc2)n1 ZINC001435742092 1064966972 /nfs/dbraw/zinc/96/69/72/1064966972.db2.gz SQQHNERCLVMIMQ-OAHLLOKOSA-N 0 0 459.243 4.517 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)N(C(=O)OCc2ccccc2)C1 ZINC001435744268 1064968481 /nfs/dbraw/zinc/96/84/81/1064968481.db2.gz BDEHWSUCRPZMDA-SXLOBPIMSA-N 0 0 459.612 4.520 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)n(C)n2)c1 ZINC001435744113 1064968514 /nfs/dbraw/zinc/96/85/14/1064968514.db2.gz ALCPYPQQBOPXPM-UHFFFAOYSA-N 0 0 455.440 4.612 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1=O ZINC001435744466 1064968859 /nfs/dbraw/zinc/96/88/59/1064968859.db2.gz CQBJCNNNFHSQFF-HUUCEWRRSA-N 0 0 450.004 4.809 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744752 1064969204 /nfs/dbraw/zinc/96/92/04/1064969204.db2.gz CLSWTVWNGOQOJR-QTPAZIJBSA-N 0 0 451.369 4.814 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001435746842 1064971625 /nfs/dbraw/zinc/97/16/25/1064971625.db2.gz BBFCXUMSJXSVHF-KRWDZBQOSA-N 0 0 457.979 4.742 20 0 JJADRN Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c(Cl)c1Cl ZINC001435747995 1064971727 /nfs/dbraw/zinc/97/17/27/1064971727.db2.gz PNHMCGDOHFRESM-HSZRJFAPSA-N 0 0 456.329 4.861 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001360096464 1064972242 /nfs/dbraw/zinc/97/22/42/1064972242.db2.gz YOZAQSDVDSOTSD-UHFFFAOYSA-N 0 0 451.361 4.558 20 0 JJADRN CCc1c(C(=O)NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)ccn1C ZINC001435748826 1064972441 /nfs/dbraw/zinc/97/24/41/1064972441.db2.gz XQVDGZLRALZVEG-UHFFFAOYSA-N 0 0 457.368 4.868 20 0 JJADRN COC(=O)c1csc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1C ZINC001435749297 1064973013 /nfs/dbraw/zinc/97/30/13/1064973013.db2.gz HDFSEZLQWYXUPW-UHFFFAOYSA-N 0 0 450.442 4.572 20 0 JJADRN COc1ccc(Cl)cc1N(C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001360097189 1064973347 /nfs/dbraw/zinc/97/33/47/1064973347.db2.gz ZJRDXECGPTYPTK-UHFFFAOYSA-N 0 0 456.749 4.818 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749604 1064973789 /nfs/dbraw/zinc/97/37/89/1064973789.db2.gz OWJRDXMKSQNYDB-IVAOSVALSA-N 0 0 453.797 4.938 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)c2cc(C)c(Cl)cc2I)cc1 ZINC001435750647 1064975393 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4.833 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001435758617 1064979283 /nfs/dbraw/zinc/97/92/83/1064979283.db2.gz AARPAYSFICOTJS-UHFFFAOYSA-N 0 0 452.284 4.822 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C1(c2ccc(I)cc2)CC1 ZINC001435760068 1064980556 /nfs/dbraw/zinc/98/05/56/1064980556.db2.gz MPXANJZVOIQQPN-UHFFFAOYSA-N 0 0 453.230 4.775 20 0 JJADRN O=C(O[C@@H]1CCc2c1cc(Cl)cc2Cl)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001435760072 1064980646 /nfs/dbraw/zinc/98/06/46/1064980646.db2.gz MQANHRQFQJPTOV-WOJBJXKFSA-N 0 0 454.375 4.767 20 0 JJADRN Cc1ccc(F)cc1[C@@H](C)OC(=O)c1cnn(-c2ccccc2)c1I ZINC001435762288 1064981135 /nfs/dbraw/zinc/98/11/35/1064981135.db2.gz KNXBIRDPCRFYKI-CYBMUJFWSA-N 0 0 450.251 4.842 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1nc2cc[nH]cc-2n1)c1cccc(Cl)c1Cl ZINC001435766692 1064982236 /nfs/dbraw/zinc/98/22/36/1064982236.db2.gz OBEKEBIGNVUETM-MRXNPFEDSA-N 0 0 450.326 4.811 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1)C(C)C ZINC001360102607 1064982423 /nfs/dbraw/zinc/98/24/23/1064982423.db2.gz IOVPSNFRGGWAJV-UHFFFAOYSA-N 0 0 452.580 4.988 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)c(C(F)(F)F)c1 ZINC001360102321 1064982567 /nfs/dbraw/zinc/98/25/67/1064982567.db2.gz PBQQAVJFBFPYLS-KRWDZBQOSA-N 0 0 450.417 4.579 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)c1ccc(F)cc1OC(F)F ZINC001435767059 1064982961 /nfs/dbraw/zinc/98/29/61/1064982961.db2.gz RVVVNFAGSONQAW-STQMWFEESA-N 0 0 450.486 4.526 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O[C@@H](C)c2ccccc2F)cc1 ZINC001435771558 1064985429 /nfs/dbraw/zinc/98/54/29/1064985429.db2.gz CHLGAKZSDXYRSG-UUOWRZLLSA-N 0 0 453.535 4.554 20 0 JJADRN COc1cc(C)c(Br)cc1NC(=O)[C@]1(C)CC1(Br)Br ZINC001435824716 1065010809 /nfs/dbraw/zinc/01/08/09/1065010809.db2.gz RFBQGISKRQMYDF-LBPRGKRZSA-N 0 0 455.972 4.601 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001360104948 1064986667 /nfs/dbraw/zinc/98/66/67/1064986667.db2.gz MILXLXLCVDSYDF-HRAATJIYSA-N 0 0 453.583 4.962 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)Cc2cccc(N3CCCC3=O)c2)cc1 ZINC001360106194 1064987509 /nfs/dbraw/zinc/98/75/09/1064987509.db2.gz VLEUTULAYFPIIN-RPBOFIJWSA-N 0 0 450.579 4.651 20 0 JJADRN Cc1cc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)ccc1C(=O)OC(C)(C)C ZINC001435778598 1064987801 /nfs/dbraw/zinc/98/78/01/1064987801.db2.gz LUOBNCFGMVYVFR-MRXNPFEDSA-N 0 0 459.340 4.777 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Oc1ccc(Br)cc1C(F)(F)F ZINC001435778492 1064987934 /nfs/dbraw/zinc/98/79/34/1064987934.db2.gz SHYUUBFGZNDVIR-QGZVFWFLSA-N 0 0 456.258 4.909 20 0 JJADRN O=C(NCCOc1cccc(C(F)(F)F)n1)c1cccnc1SCc1ccc(F)cc1 ZINC001435781294 1064989544 /nfs/dbraw/zinc/98/95/44/1064989544.db2.gz ROIZGGWSNUMPAO-UHFFFAOYSA-N 0 0 451.445 4.736 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C ZINC001435782589 1064989792 /nfs/dbraw/zinc/98/97/92/1064989792.db2.gz CBXWSKWIKFCKJA-UHFFFAOYSA-N 0 0 457.324 4.537 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc(S(C)(=O)=O)cc1 ZINC001360108469 1064990403 /nfs/dbraw/zinc/99/04/03/1064990403.db2.gz XXKPKOGLNTVAFT-IFXJQAMLSA-N 0 0 458.580 4.650 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001435785223 1064991595 /nfs/dbraw/zinc/99/15/95/1064991595.db2.gz UANJYQJNVOYGIB-OAHLLOKOSA-N 0 0 457.937 4.556 20 0 JJADRN CSc1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1Br ZINC001435786177 1064991622 /nfs/dbraw/zinc/99/16/22/1064991622.db2.gz DTNCXPRFUUBKCB-UHFFFAOYSA-N 0 0 454.289 4.717 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cnn1-c1ccc(F)cc1 ZINC001435788470 1064991930 /nfs/dbraw/zinc/99/19/30/1064991930.db2.gz WJJJZNADCFDJOO-UHFFFAOYSA-N 0 0 455.433 4.510 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3Cc4cc(Br)ccc4C[C@H]3C)cc21 ZINC001545893363 1064992135 /nfs/dbraw/zinc/99/21/35/1064992135.db2.gz WPAZKULPCDQTFT-GFCCVEGCSA-N 0 0 459.340 4.543 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(Br)co1 ZINC001360111203 1064992279 /nfs/dbraw/zinc/99/22/79/1064992279.db2.gz BRWGKGWIABFEHU-UHFFFAOYSA-N 0 0 456.264 4.547 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1cccc(OC(F)F)c1 ZINC001435789330 1064992604 /nfs/dbraw/zinc/99/26/04/1064992604.db2.gz QWAIFRHTJGJNPX-CZUORRHYSA-N 0 0 457.395 4.960 20 0 JJADRN Cc1cc(F)c(CC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1F ZINC001360111590 1064992940 /nfs/dbraw/zinc/99/29/40/1064992940.db2.gz QHGTVCNPZQYLGB-UHFFFAOYSA-N 0 0 451.441 4.707 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)O[C@@H](c1cc(Br)cs1)C(F)(F)F)CO2 ZINC001435792709 1064992791 /nfs/dbraw/zinc/99/27/91/1064992791.db2.gz ASVXMKGINOKNLR-BONVTDFDSA-N 0 0 451.260 4.917 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CSCc1cccnc1)c1ccc2ccccc2c1 ZINC001435792374 1064992984 /nfs/dbraw/zinc/99/29/84/1064992984.db2.gz PENHDFZVVUIGEK-JOCHJYFZSA-N 0 0 451.592 4.850 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1=O ZINC001435793011 1064993088 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JJADRN O=C(Nc1cccc(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)c1)c1ccco1 ZINC001435797535 1064995861 /nfs/dbraw/zinc/99/58/61/1064995861.db2.gz IHRVVHUPABSMRV-UHFFFAOYSA-N 0 0 457.273 4.776 20 0 JJADRN Cc1ccc(CC(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)c(Br)c1 ZINC001435797433 1064995908 /nfs/dbraw/zinc/99/59/08/1064995908.db2.gz BRHWXTYHVADCID-UHFFFAOYSA-N 0 0 455.139 4.931 20 0 JJADRN O=C(NC1(c2noc(CC3CCCC3)n2)CCCCCC1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001435799185 1064996405 /nfs/dbraw/zinc/99/64/05/1064996405.db2.gz ZVXWNOLEQVIODH-GOSISDBHSA-N 0 0 456.553 4.742 20 0 JJADRN O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001435799794 1064997065 /nfs/dbraw/zinc/99/70/65/1064997065.db2.gz YEOHBVPIPGUKIB-CYBMUJFWSA-N 0 0 451.741 4.797 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)O[C@H](C)c3ccc(F)c(C(F)(F)F)c3)CC2=O)c1 ZINC001435799798 1064997199 /nfs/dbraw/zinc/99/71/99/1064997199.db2.gz YERYMJSUSMNCFF-OCCSQVGLSA-N 0 0 455.404 4.519 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CSc4ccccc43)s2)CC1 ZINC001435799471 1064997222 /nfs/dbraw/zinc/99/72/22/1064997222.db2.gz BEJGZGWUMKWZHI-INIZCTEOSA-N 0 0 450.651 4.557 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CSc4ccccc43)cc2)C1 ZINC001435799245 1064997233 /nfs/dbraw/zinc/99/72/33/1064997233.db2.gz SRMZPLOQWPZIDR-OTWHNJEPSA-N 0 0 458.649 4.742 20 0 JJADRN CC(C)Cc1ccc(CCCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc1 ZINC001435800606 1064997575 /nfs/dbraw/zinc/99/75/75/1064997575.db2.gz KPRBSRMFXSYYMU-QHCPKHFHSA-N 0 0 457.412 4.670 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H](C)c2cc(Cl)ccc2F)nn1-c1cccc(C(F)(F)F)c1 ZINC001435800444 1064997669 /nfs/dbraw/zinc/99/76/69/1064997669.db2.gz JIWRXNIINNPIIW-GFCCVEGCSA-N 0 0 453.823 4.843 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 ZINC001360115597 1064997887 /nfs/dbraw/zinc/99/78/87/1064997887.db2.gz CNVBFOGHOUSAEN-NRFANRHFSA-N 0 0 487.620 4.941 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360115610 1064997916 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469.630 4.918 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)C1CCCCC1 ZINC001360116351 1065000752 /nfs/dbraw/zinc/00/07/52/1065000752.db2.gz CHBNRSOTAZOIGS-NRFANRHFSA-N 0 0 471.621 4.517 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)CC1=O ZINC001435804997 1065000999 /nfs/dbraw/zinc/00/09/99/1065000999.db2.gz YNALWCCVUUVBAL-ZBFHGGJFSA-N 0 0 459.468 4.812 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1OC ZINC001435804923 1065001138 /nfs/dbraw/zinc/00/11/38/1065001138.db2.gz GCKBPDCIERFTON-CYBMUJFWSA-N 0 0 452.776 4.883 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360116558 1065001352 /nfs/dbraw/zinc/00/13/52/1065001352.db2.gz IVEBVUDQXZCHAJ-UHFFFAOYSA-N 0 0 490.631 4.953 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2ccccn2)n1CCn1cc(Br)cn1 ZINC001360116612 1065001386 /nfs/dbraw/zinc/00/13/86/1065001386.db2.gz KHYGLBNQGPXVPF-UHFFFAOYSA-N 0 0 484.377 4.553 20 0 JJADRN Cn1nc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)cc1 ZINC001435805133 1065001663 /nfs/dbraw/zinc/00/16/63/1065001663.db2.gz BKEHUYYHHOZNAY-UHFFFAOYSA-N 0 0 459.403 4.622 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)n1 ZINC001360117474 1065002871 /nfs/dbraw/zinc/00/28/71/1065002871.db2.gz NGTXYRBBVGKUTE-UHFFFAOYSA-N 0 0 450.358 4.755 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(Cc2ccccn2)n1CCOc1ncccc1Cl ZINC001360118366 1065003992 /nfs/dbraw/zinc/00/39/92/1065003992.db2.gz FMXVUFTVDXDJCD-UHFFFAOYSA-N 0 0 480.975 4.945 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC001360118316 1065004100 /nfs/dbraw/zinc/00/41/00/1065004100.db2.gz JZAOSZYPMYMXCL-QFIPXVFZSA-N 0 0 457.521 4.795 20 0 JJADRN O=C(C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC001360118546 1065004385 /nfs/dbraw/zinc/00/43/85/1065004385.db2.gz MYCVHYPRLCCBSB-QHCPKHFHSA-N 0 0 451.542 4.724 20 0 JJADRN O=C(C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC001360118545 1065004480 /nfs/dbraw/zinc/00/44/80/1065004480.db2.gz MYCVHYPRLCCBSB-HSZRJFAPSA-N 0 0 451.542 4.724 20 0 JJADRN C[C@@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@H]1OCCc2sccc21 ZINC001435811654 1065004520 /nfs/dbraw/zinc/00/45/20/1065004520.db2.gz PJDYNHFPRMZUNJ-BFUOFWGJSA-N 0 0 451.470 4.780 20 0 JJADRN C[C@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@H]1OCCc2sccc21 ZINC001435811656 1065004770 /nfs/dbraw/zinc/00/47/70/1065004770.db2.gz PJDYNHFPRMZUNJ-ORAYPTAESA-N 0 0 451.470 4.780 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccccc2Br)n1CCCO[C@H]1CCOC1 ZINC001360118667 1065004842 /nfs/dbraw/zinc/00/48/42/1065004842.db2.gz NWWMAUKDCBHOSC-IBGZPJMESA-N 0 0 489.414 4.911 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1 ZINC001360118671 1065004871 /nfs/dbraw/zinc/00/48/71/1065004871.db2.gz OFOBIDRHFMDOSE-OAHLLOKOSA-N 0 0 451.390 4.956 20 0 JJADRN COc1c(F)nccc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001360118800 1065005403 /nfs/dbraw/zinc/00/54/03/1065005403.db2.gz PFIHIPFGTQMHSG-NRFANRHFSA-N 0 0 454.546 4.558 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCCC1(C)C ZINC001360118918 1065005530 /nfs/dbraw/zinc/00/55/30/1065005530.db2.gz SQCRWXDXCNUCEF-OAQYLSRUSA-N 0 0 485.629 4.639 20 0 JJADRN COC[C@H]1CCCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001435813430 1065005498 /nfs/dbraw/zinc/00/54/98/1065005498.db2.gz JIDVPCRUIZDPCD-KRWDZBQOSA-N 0 0 459.384 4.899 20 0 JJADRN O=C(NC1CCC(O)(c2ccccc2)CC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435813197 1065005504 /nfs/dbraw/zinc/00/55/04/1065005504.db2.gz HWXKNFJZWAQPMP-MHIUNMELSA-N 0 0 457.412 4.533 20 0 JJADRN O=C(NC1CCC(O)(c2ccccc2)CC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435813200 1065005547 /nfs/dbraw/zinc/00/55/47/1065005547.db2.gz HWXKNFJZWAQPMP-XERBYJISSA-N 0 0 457.412 4.533 20 0 JJADRN O=C(Cn1ccc(C(F)F)n1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001360119154 1065005765 /nfs/dbraw/zinc/00/57/65/1065005765.db2.gz UPMPNXGAZCHWRN-OAQYLSRUSA-N 0 0 459.541 4.536 20 0 JJADRN Cc1oc2ccccc2c1CC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001435814157 1065005961 /nfs/dbraw/zinc/00/59/61/1065005961.db2.gz APCFFKBOZIXCEV-FQEVSTJZSA-N 0 0 455.352 4.666 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(OC4CCC4)cc3)C2=O)ccc1Br ZINC001435814243 1065006174 /nfs/dbraw/zinc/00/61/74/1065006174.db2.gz BIUCVGOIJDWYJP-OAQYLSRUSA-N 0 0 457.368 4.614 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC001360119262 1065006383 /nfs/dbraw/zinc/00/63/83/1065006383.db2.gz WOZWKYLNBHZMGW-JOCHJYFZSA-N 0 0 459.537 4.582 20 0 JJADRN COCCn1c(NC(=O)c2cc(Br)sc2Br)nc2ccccc21 ZINC001435815222 1065006667 /nfs/dbraw/zinc/00/66/67/1065006667.db2.gz MYYNATQMMLNXFI-UHFFFAOYSA-N 0 0 459.163 4.522 20 0 JJADRN Cc1cc(C)cc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1 ZINC001360119345 1065006835 /nfs/dbraw/zinc/00/68/35/1065006835.db2.gz YBPHCTQHOGNOQY-QFIPXVFZSA-N 0 0 456.652 4.815 20 0 JJADRN O=C(O[C@H]1CCOc2cc(Cl)cc(Cl)c21)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001435815694 1065007114 /nfs/dbraw/zinc/00/71/14/1065007114.db2.gz DPHWRMKAADNVAW-KRWDZBQOSA-N 0 0 451.281 4.678 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](F)C1 ZINC001360120009 1065007286 /nfs/dbraw/zinc/00/72/86/1065007286.db2.gz SITQJNSRKIMIHN-ZJOUEHCJSA-N 0 0 491.608 4.733 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360120416 1065007784 /nfs/dbraw/zinc/00/77/84/1065007784.db2.gz HBHICXHVSXRJCJ-KXBFYZLASA-N 0 0 455.860 4.727 20 0 JJADRN CCc1ccc2c(c1)[C@H](OC(=O)c1nn(-c3ccccc3C(F)(F)F)c(C)cc1=O)CCO2 ZINC001435818764 1065008007 /nfs/dbraw/zinc/00/80/07/1065008007.db2.gz JPGSDCPHUIRLDF-OAQYLSRUSA-N 0 0 458.436 4.803 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1CCCCCO ZINC001360120565 1065008243 /nfs/dbraw/zinc/00/82/43/1065008243.db2.gz AMIGCDROAJKVHL-UHFFFAOYSA-N 0 0 452.422 4.675 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)OC(C)(C)C ZINC001360120564 1065008300 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4.849 20 0 JJADRN COc1ccc(OC(=O)c2cn(-c3ccc(Br)cc3)cn2)c(Br)c1 ZINC001435821595 1065009589 /nfs/dbraw/zinc/00/95/89/1065009589.db2.gz OQGZGXMPTMJGGE-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001360121396 1065009907 /nfs/dbraw/zinc/00/99/07/1065009907.db2.gz RXZORNUDDZOUAT-QGZVFWFLSA-N 0 0 495.070 4.667 20 0 JJADRN Cn1ccc([C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)n1 ZINC001435823328 1065010405 /nfs/dbraw/zinc/01/04/05/1065010405.db2.gz OHZZXBLYWVPEFX-LJQANCHMSA-N 0 0 453.167 4.938 20 0 JJADRN C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)CC1 ZINC001435824476 1065010789 /nfs/dbraw/zinc/01/07/89/1065010789.db2.gz RHNIRSGVEMPCQA-AWEZNQCLSA-N 0 0 450.992 4.663 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)cs1 ZINC001360122320 1065011440 /nfs/dbraw/zinc/01/14/40/1065011440.db2.gz CEZZSNLWYHOCCM-MRXNPFEDSA-N 0 0 480.457 4.578 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001435827299 1065011335 /nfs/dbraw/zinc/01/13/35/1065011335.db2.gz LXWSWHJCOOFPNA-SFHVURJKSA-N 0 0 458.580 4.940 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360122577 1065011744 /nfs/dbraw/zinc/01/17/44/1065011744.db2.gz LTWLJOWZMOMYJT-UHFFFAOYSA-N 0 0 481.573 4.873 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435828334 1065011856 /nfs/dbraw/zinc/01/18/56/1065011856.db2.gz VOINBKRKHCTRJM-AUSIDOKSSA-N 0 0 457.412 4.831 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H]3CCOC(C)(C)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001435827396 1065011883 /nfs/dbraw/zinc/01/18/83/1065011883.db2.gz QTCMFWKLLWIXFT-JHMXWDHMSA-N 0 0 450.579 4.562 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001545893585 1065011942 /nfs/dbraw/zinc/01/19/42/1065011942.db2.gz CUPBZPXIUGOSLI-CTNGQTDRSA-N 0 0 492.709 4.618 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCOC(C)(C)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001435827400 1065011984 /nfs/dbraw/zinc/01/19/84/1065011984.db2.gz QTCMFWKLLWIXFT-QFZRFWILSA-N 0 0 450.579 4.562 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001360122658 1065012236 /nfs/dbraw/zinc/01/22/36/1065012236.db2.gz OBYKTQSINZTDNJ-SBUREZEXSA-N 0 0 461.031 4.820 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1 ZINC001360123142 1065013484 /nfs/dbraw/zinc/01/34/84/1065013484.db2.gz XEDNBRDMPQNABU-HXUWFJFHSA-N 0 0 475.659 4.863 20 0 JJADRN CCn1c(SCC(=O)NCCC[C@@H]2CCCCO2)nnc1-c1ccc(Cl)cc1Cl ZINC001435830520 1065013996 /nfs/dbraw/zinc/01/39/96/1065013996.db2.gz FMQAKWLOWVDGBR-HNNXBMFYSA-N 0 0 457.427 4.829 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cc(F)c(Br)cc1F ZINC001435830775 1065014009 /nfs/dbraw/zinc/01/40/09/1065014009.db2.gz MRUQAGGFZQICLC-DJJJIMSYSA-N 0 0 452.295 4.509 20 0 JJADRN Cc1csc([C@H](C)CNC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)n1 ZINC001435834656 1065015379 /nfs/dbraw/zinc/01/53/79/1065015379.db2.gz FRCMHMCXIQAYRV-OAHLLOKOSA-N 0 0 452.605 4.508 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(COc3cccc(Br)c3)o1)CCO2 ZINC001435834516 1065015408 /nfs/dbraw/zinc/01/54/08/1065015408.db2.gz YHLFHERLOUYFFV-LJQANCHMSA-N 0 0 458.308 4.883 20 0 JJADRN CN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001435835029 1065015450 /nfs/dbraw/zinc/01/54/50/1065015450.db2.gz QPJSBLSUDYZHGP-VQIMIIECSA-N 0 0 456.739 4.999 20 0 JJADRN COC1CCC(CC(=O)Oc2ccc(I)c(Br)c2)CC1 ZINC001435835936 1065016118 /nfs/dbraw/zinc/01/61/18/1065016118.db2.gz JNMFWPKZQMHEQJ-UHFFFAOYSA-N 0 0 453.114 4.554 20 0 JJADRN COC1CCC(CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001435837765 1065016751 /nfs/dbraw/zinc/01/67/51/1065016751.db2.gz MXONWVAKDOUPKB-BCXLYBDUSA-N 0 0 452.998 4.879 20 0 JJADRN COC1CCC(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001435837777 1065016954 /nfs/dbraw/zinc/01/69/54/1065016954.db2.gz MXONWVAKDOUPKB-FDTYEAIGSA-N 0 0 452.998 4.879 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CCN(C)c2ccccc2)cc1 ZINC001360124669 1065017041 /nfs/dbraw/zinc/01/70/41/1065017041.db2.gz HEHAQSCJEAFVPF-UHFFFAOYSA-N 0 0 454.574 4.815 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)s1 ZINC001360125001 1065017121 /nfs/dbraw/zinc/01/71/21/1065017121.db2.gz UQVQLOJFBYQYTF-UHFFFAOYSA-N 0 0 458.381 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001545893672 1065017146 /nfs/dbraw/zinc/01/71/46/1065017146.db2.gz FNGFIWSWAMRECP-HKUYNNGSSA-N 0 0 485.595 4.857 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)c2cc(S(=O)(=O)CC)ccc2Br)cc1 ZINC001360124716 1065017320 /nfs/dbraw/zinc/01/73/20/1065017320.db2.gz JGFIHKOWWGCLQJ-UHFFFAOYSA-N 0 0 453.402 4.731 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1Cl ZINC001435842126 1065019521 /nfs/dbraw/zinc/01/95/21/1065019521.db2.gz CNIZQUXDLKDYRW-UHFFFAOYSA-N 0 0 455.132 4.698 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(COC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001435844362 1065020311 /nfs/dbraw/zinc/02/03/11/1065020311.db2.gz YTAHJFSKZUWEHV-UHFFFAOYSA-N 0 0 452.956 4.593 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001435844750 1065020432 /nfs/dbraw/zinc/02/04/32/1065020432.db2.gz KFYUUKGNHJASIO-OAQYLSRUSA-N 0 0 454.636 4.843 20 0 JJADRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccc(SCc3ccccc3)cc1)C2=O ZINC001435844559 1065020465 /nfs/dbraw/zinc/02/04/65/1065020465.db2.gz AUKAZHBZZOTFGR-BVZFJXPGSA-N 0 0 452.576 4.523 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nc1 ZINC001360126971 1065021082 /nfs/dbraw/zinc/02/10/82/1065021082.db2.gz JGYYHNFPMQMAOG-UHFFFAOYSA-N 0 0 453.539 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001545893722 1065021292 /nfs/dbraw/zinc/02/12/92/1065021292.db2.gz GLOPUWHYSVFSPN-MRXNPFEDSA-N 0 0 496.487 4.883 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3Oc3ccncc3)nc12 ZINC001435847489 1065021306 /nfs/dbraw/zinc/02/13/06/1065021306.db2.gz GBRNESNAADDKAH-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)O[C@@H](C)C2 ZINC001360127515 1065021735 /nfs/dbraw/zinc/02/17/35/1065021735.db2.gz VIOMTBLVYCNNAS-WHOFXGATSA-N 0 0 451.407 4.856 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC001360127860 1065021756 /nfs/dbraw/zinc/02/17/56/1065021756.db2.gz SGORQOUTBZSNOE-UHFFFAOYSA-N 0 0 456.384 4.701 20 0 JJADRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001435849542 1065022115 /nfs/dbraw/zinc/02/21/15/1065022115.db2.gz GADREBPGVNAVRQ-SFHVURJKSA-N 0 0 456.342 4.611 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCOc1ccc(Cl)c(F)c1 ZINC001435848971 1065022150 /nfs/dbraw/zinc/02/21/50/1065022150.db2.gz CCMYENPYCBYTLG-JOCHJYFZSA-N 0 0 457.933 4.651 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1=O ZINC001435850742 1065023000 /nfs/dbraw/zinc/02/30/00/1065023000.db2.gz OFLKXQGCXUFZDO-DNVCBOLYSA-N 0 0 456.411 4.623 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)OCc3nc(-c4c(F)cccc4F)cs3)cc2n1 ZINC001435852545 1065024367 /nfs/dbraw/zinc/02/43/67/1065024367.db2.gz PCSXRRGTOINGNN-UHFFFAOYSA-N 0 0 454.380 4.815 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)OCc2nc(-c3c(F)cccc3F)cs2)CO1 ZINC001435852607 1065024605 /nfs/dbraw/zinc/02/46/05/1065024605.db2.gz PSCSLSMVMYPBHZ-UONOGXRCSA-N 0 0 453.507 4.659 20 0 JJADRN COCCN(C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1cccc(Br)n1 ZINC001435852576 1065024791 /nfs/dbraw/zinc/02/47/91/1065024791.db2.gz PLCPXCFXGLXKHT-UHFFFAOYSA-N 0 0 459.340 4.528 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)CCCOC(C)(C)C)c2C(=O)c2ccc(C)cc2)C1 ZINC001435853554 1065025064 /nfs/dbraw/zinc/02/50/64/1065025064.db2.gz BCMNYBHSBNADHB-UHFFFAOYSA-N 0 0 456.608 4.726 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545893755 1065025737 /nfs/dbraw/zinc/02/57/37/1065025737.db2.gz HBTSBCDPWQKSRG-IBGZPJMESA-N 0 0 469.630 4.625 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)s2)cc1 ZINC001360130371 1065025894 /nfs/dbraw/zinc/02/58/94/1065025894.db2.gz AAUXUPLYFGGPLY-GOSISDBHSA-N 0 0 453.539 4.547 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1CCCOC1 ZINC001435854582 1065026237 /nfs/dbraw/zinc/02/62/37/1065026237.db2.gz LPUVWKOUUOOAMF-ZJSXRUAMSA-N 0 0 453.579 4.651 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc2F)n1 ZINC001360130592 1065026279 /nfs/dbraw/zinc/02/62/79/1065026279.db2.gz CDPASWFLQKDPEI-OAQYLSRUSA-N 0 0 458.578 4.832 20 0 JJADRN Cc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c(Br)n1 ZINC001435856289 1065027790 /nfs/dbraw/zinc/02/77/90/1065027790.db2.gz VZKALMQLNCYGPW-UHFFFAOYSA-N 0 0 454.162 4.599 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)CCCCCC1 ZINC001435857026 1065028172 /nfs/dbraw/zinc/02/81/72/1065028172.db2.gz AMOUHBMJYVTLDZ-UHFFFAOYSA-N 0 0 451.007 4.793 20 0 JJADRN O=C(Nc1ncc(C2CCCCC2)s1)c1ccc2ncc(I)n2c1 ZINC001435857088 1065028198 /nfs/dbraw/zinc/02/81/98/1065028198.db2.gz CABHDIWARBUJLV-UHFFFAOYSA-N 0 0 452.321 4.695 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435857840 1065028211 /nfs/dbraw/zinc/02/82/11/1065028211.db2.gz BEWTYKLMOAHGSI-SECBINFHSA-N 0 0 454.649 4.934 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435858319 1065028676 /nfs/dbraw/zinc/02/86/76/1065028676.db2.gz DYISMEJBRPAGQF-CYBMUJFWSA-N 0 0 450.686 4.724 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cc(C)cc(C)c3Br)c12 ZINC001435860130 1065029287 /nfs/dbraw/zinc/02/92/87/1065029287.db2.gz ZBJGBIBMTCAVEI-MRXNPFEDSA-N 0 0 457.372 4.859 20 0 JJADRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001435859115 1065029351 /nfs/dbraw/zinc/02/93/51/1065029351.db2.gz LQMPSCXBZUJGKS-CHWSQXEVSA-N 0 0 456.306 4.927 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3ccsc3C(F)(F)F)c12 ZINC001435861144 1065029995 /nfs/dbraw/zinc/02/99/95/1065029995.db2.gz MDVGOZZCCHZTDN-IYKSTZQJSA-N 0 0 450.486 4.959 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435863445 1065031043 /nfs/dbraw/zinc/03/10/43/1065031043.db2.gz OJPRBECDZPIFOZ-SFHVURJKSA-N 0 0 457.398 4.616 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864412 1065031725 /nfs/dbraw/zinc/03/17/25/1065031725.db2.gz IERFHAVIXYSTOQ-AEFFLSMTSA-N 0 0 458.402 4.930 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)c1ccc(C)cc1 ZINC001360136248 1065032512 /nfs/dbraw/zinc/03/25/12/1065032512.db2.gz FYHKBGYKWRJZDH-YUXAGFNASA-N 0 0 458.624 4.742 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1cnc(Br)c(Cl)c1 ZINC001435865930 1065033066 /nfs/dbraw/zinc/03/30/66/1065033066.db2.gz HAUIAPOODZZRJI-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001360137518 1065033553 /nfs/dbraw/zinc/03/35/53/1065033553.db2.gz WCGHRDUTJOBYCF-UHFFFAOYSA-N 0 0 450.535 4.767 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)c(Br)c(Cl)c2)cc1-c1nnnn1C1CC1 ZINC001435867002 1065033799 /nfs/dbraw/zinc/03/37/99/1065033799.db2.gz ZTABSRIFPZWHPU-UHFFFAOYSA-N 0 0 450.699 4.791 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1coc3c1C(=O)NCC(C)(C)C3)CCCC2 ZINC001435867175 1065034031 /nfs/dbraw/zinc/03/40/31/1065034031.db2.gz DDSQGVKEYHPUNG-UHFFFAOYSA-N 0 0 458.580 4.740 20 0 JJADRN CSCCCCCCNC(=O)c1cc(Br)cc(I)c1 ZINC001435867339 1065034309 /nfs/dbraw/zinc/03/43/09/1065034309.db2.gz FTZACCRPTQNXTR-UHFFFAOYSA-N 0 0 456.187 4.707 20 0 JJADRN CN(CCCNC(=O)C1CCC1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001435869956 1065035759 /nfs/dbraw/zinc/03/57/59/1065035759.db2.gz BRSONDYPJABCFF-UHFFFAOYSA-N 0 0 453.633 4.846 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC001435869321 1065035845 /nfs/dbraw/zinc/03/58/45/1065035845.db2.gz ITCHOENERQYFTK-OSPHWJPCSA-N 0 0 454.617 4.944 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001435870529 1065036165 /nfs/dbraw/zinc/03/61/65/1065036165.db2.gz MVNFVQJJEWYAHW-AREMUKBSSA-N 0 0 451.494 4.778 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c(C)c1 ZINC001435871916 1065036659 /nfs/dbraw/zinc/03/66/59/1065036659.db2.gz KQRGCSXCSMRBMI-OYRHEFFESA-N 0 0 452.595 4.882 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCOc1cc(Cl)ccc1Cl ZINC001435873313 1065037055 /nfs/dbraw/zinc/03/70/55/1065037055.db2.gz YSWFWGCVSXEHSQ-QHCPKHFHSA-N 0 0 450.362 4.929 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCc2cc(Br)cc(F)c21 ZINC001435873194 1065037187 /nfs/dbraw/zinc/03/71/87/1065037187.db2.gz XVKAKCGUXRCGCB-UHFFFAOYSA-N 0 0 452.173 4.994 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875433 1065038383 /nfs/dbraw/zinc/03/83/83/1065038383.db2.gz IMFHZPWTIAIRAC-XMMPIXPASA-N 0 0 459.615 4.595 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC3(c4cccc(F)c4F)CCCC3)nn2C)cc1OC ZINC001435875859 1065038787 /nfs/dbraw/zinc/03/87/87/1065038787.db2.gz NFYNEBCISYIPKE-UHFFFAOYSA-N 0 0 455.505 4.624 20 0 JJADRN COC(=O)c1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc(Br)c1F ZINC001435879864 1065040599 /nfs/dbraw/zinc/04/05/99/1065040599.db2.gz GLLSRPKJQSHSCL-UHFFFAOYSA-N 0 0 451.075 4.699 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)CC1=O ZINC001435879949 1065041017 /nfs/dbraw/zinc/04/10/17/1065041017.db2.gz SMPFSXIJDCSLOT-HSZRJFAPSA-N 0 0 458.558 4.560 20 0 JJADRN O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001435881045 1065041462 /nfs/dbraw/zinc/04/14/62/1065041462.db2.gz PLJYRKYVLLXLFH-ILHIWHGASA-N 0 0 451.495 4.886 20 0 JJADRN O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccccc1[S@](=O)C(F)(F)F ZINC001435881049 1065041565 /nfs/dbraw/zinc/04/15/65/1065041565.db2.gz PLJYRKYVLLXLFH-WYIRRWHOSA-N 0 0 451.495 4.886 20 0 JJADRN CCCN1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c2ccc(F)cc21 ZINC001435881545 1065041936 /nfs/dbraw/zinc/04/19/36/1065041936.db2.gz BQMGWPGWNWGODU-UHFFFAOYSA-N 0 0 452.551 4.676 20 0 JJADRN CCSCc1cc(C(=O)Nc2cc(OC)c(Br)cc2Br)no1 ZINC001435881188 1065041963 /nfs/dbraw/zinc/04/19/63/1065041963.db2.gz QOFREWMZWXUFHI-UHFFFAOYSA-N 0 0 450.152 4.714 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001435881967 1065042324 /nfs/dbraw/zinc/04/23/24/1065042324.db2.gz FYBYPUZBUBNXDL-HNNXBMFYSA-N 0 0 459.377 4.660 20 0 JJADRN COc1cc(NC(=O)c2ccc3nc(C)n(C)c3c2)c(Br)cc1Br ZINC001435881892 1065042438 /nfs/dbraw/zinc/04/24/38/1065042438.db2.gz XQBRCZSHPPJDBT-UHFFFAOYSA-N 0 0 453.134 4.668 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001360142316 1065042627 /nfs/dbraw/zinc/04/26/27/1065042627.db2.gz SAZKNJSJSDFOCM-OAQYLSRUSA-N 0 0 459.329 4.954 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)NCCc1ccc(F)cc1F ZINC001360142897 1065042943 /nfs/dbraw/zinc/04/29/43/1065042943.db2.gz QMILVOGXDACGGN-UHFFFAOYSA-N 0 0 453.146 4.843 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)OCc1ccc(I)c(Cl)c1 ZINC001435884261 1065043325 /nfs/dbraw/zinc/04/33/25/1065043325.db2.gz LLMGVHHZYPWODW-UHFFFAOYSA-N 0 0 455.050 4.859 20 0 JJADRN COc1ccc2c(ccn2CC(=O)OCc2ccc(I)c(Cl)c2)c1 ZINC001435884520 1065043528 /nfs/dbraw/zinc/04/35/28/1065043528.db2.gz MQMCNGIPMGBHCM-UHFFFAOYSA-N 0 0 455.679 4.651 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)OCc2ccc(I)c(Cl)c2)s1 ZINC001435885380 1065044009 /nfs/dbraw/zinc/04/40/09/1065044009.db2.gz SJKFIKTZWMIEFZ-SECBINFHSA-N 0 0 451.713 4.856 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c1C ZINC001435885031 1065044044 /nfs/dbraw/zinc/04/40/44/1065044044.db2.gz ZDOLIYOKCPCCAX-UHFFFAOYSA-N 0 0 450.974 4.921 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001435886130 1065044291 /nfs/dbraw/zinc/04/42/91/1065044291.db2.gz WPZHJKKFNHBTOJ-ZWKOTPCHSA-N 0 0 455.368 4.725 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)CC1CCCCC1 ZINC001435886419 1065044389 /nfs/dbraw/zinc/04/43/89/1065044389.db2.gz YHOCEHPIWBHFQL-NHCUHLMSSA-N 0 0 457.615 4.552 20 0 JJADRN CCc1cccc(OC)c1COC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001435886333 1065044521 /nfs/dbraw/zinc/04/45/21/1065044521.db2.gz ZNNIVCXEMYZJCG-FQEVSTJZSA-N 0 0 453.457 4.938 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC001435886124 1065044600 /nfs/dbraw/zinc/04/46/00/1065044600.db2.gz WNTPQVKDERPSGB-UHFFFAOYSA-N 0 0 457.155 4.558 20 0 JJADRN CCCc1c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cnn1-c1ccccc1C ZINC001435888906 1065045977 /nfs/dbraw/zinc/04/59/77/1065045977.db2.gz YTVYHLSIYCUXHB-UHFFFAOYSA-N 0 0 451.470 4.679 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CC(OC(C)(C)C)C3)cc2)cc1 ZINC001435889185 1065046563 /nfs/dbraw/zinc/04/65/63/1065046563.db2.gz BZMNBHHUAUMDGH-UHFFFAOYSA-N 0 0 458.624 4.534 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 ZINC001360145127 1065046599 /nfs/dbraw/zinc/04/65/99/1065046599.db2.gz JVGUMMYEFWCWOY-UHFFFAOYSA-N 0 0 453.560 4.720 20 0 JJADRN CCC(CC)(NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC001360145177 1065046903 /nfs/dbraw/zinc/04/69/03/1065046903.db2.gz CLQOJIMYJYJQJD-UHFFFAOYSA-N 0 0 458.805 4.951 20 0 JJADRN CCCCNC(=O)c1c(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)nc(C)n1C ZINC001435889723 1065047082 /nfs/dbraw/zinc/04/70/82/1065047082.db2.gz JGFPAOHKMKBQKM-UHFFFAOYSA-N 0 0 459.472 4.592 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001360145336 1065047226 /nfs/dbraw/zinc/04/72/26/1065047226.db2.gz NQOSURIBZHSRSY-AWEZNQCLSA-N 0 0 456.377 4.729 20 0 JJADRN CC(C)N(C(=O)Cc1cc(Cl)ccc1Br)c1ccc(N2CCOCC2)cc1 ZINC001360145565 1065047301 /nfs/dbraw/zinc/04/73/01/1065047301.db2.gz KWCHMFUGCSJFDX-UHFFFAOYSA-N 0 0 451.792 4.923 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001435890629 1065047545 /nfs/dbraw/zinc/04/75/45/1065047545.db2.gz OXUZLWDLGDADLX-UXKBPOEISA-N 0 0 459.439 4.867 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1 ZINC001435891007 1065047884 /nfs/dbraw/zinc/04/78/84/1065047884.db2.gz NWSCZRYFUCCIAQ-HXUWFJFHSA-N 0 0 450.938 4.582 20 0 JJADRN CC(C)N(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(N2CCOCC2)cc1 ZINC001360146166 1065048085 /nfs/dbraw/zinc/04/80/85/1065048085.db2.gz WUNOMQRTIBPLFT-UHFFFAOYSA-N 0 0 458.484 4.783 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC001435894606 1065049406 /nfs/dbraw/zinc/04/94/06/1065049406.db2.gz HWKCKRWXLLDZRD-UHFFFAOYSA-N 0 0 456.530 4.620 20 0 JJADRN Cc1ccc(C2(C(=O)Oc3cc(F)cc(I)c3)CCOCC2)cc1C ZINC001435893564 1065049564 /nfs/dbraw/zinc/04/95/64/1065049564.db2.gz SBOSPUZUGZZCIV-UHFFFAOYSA-N 0 0 454.279 4.701 20 0 JJADRN C[C@H](OC(=O)c1cc2ncc(Br)cn2n1)c1cccc(OCc2ccccc2)c1 ZINC001435897463 1065050854 /nfs/dbraw/zinc/05/08/54/1065050854.db2.gz DBECOAPMSWGRJY-HNNXBMFYSA-N 0 0 452.308 4.989 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2F)CCCC1)c1cnn2cc(Br)cnc12 ZINC001435897154 1065050956 /nfs/dbraw/zinc/05/09/56/1065050956.db2.gz YZZCEJYLDLXFFD-UHFFFAOYSA-N 0 0 451.727 4.526 20 0 JJADRN C[C@@H](C(=O)Oc1cc(Cl)c(Br)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC001435897427 1065051029 /nfs/dbraw/zinc/05/10/29/1065051029.db2.gz DOPNBOWJZBUOCB-QMMMGPOBSA-N 0 0 456.116 4.663 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001360148704 1065051299 /nfs/dbraw/zinc/05/12/99/1065051299.db2.gz ZYSUZKIGAPUMJU-AYBZRNKSSA-N 0 0 454.489 4.552 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCC3CCN(CC(F)(F)F)CC3)cc12 ZINC001435899524 1065052243 /nfs/dbraw/zinc/05/22/43/1065052243.db2.gz IBZHGUKADJDIIV-UHFFFAOYSA-N 0 0 450.530 4.708 20 0 JJADRN O=C(NCCCNC(=O)c1ccccc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001435899376 1065052320 /nfs/dbraw/zinc/05/23/20/1065052320.db2.gz LQAPFCJGLBCWOC-NKFKGCMQSA-N 0 0 450.485 4.765 20 0 JJADRN Cc1ccc(C2(C(=O)NCCCNC(=O)c3ccccc3)CCCCC2)c(Br)c1 ZINC001435899293 1065052394 /nfs/dbraw/zinc/05/23/94/1065052394.db2.gz JSUAYAGJJLPBMS-UHFFFAOYSA-N 0 0 457.412 4.896 20 0 JJADRN C[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)CC(C)(C)C ZINC001435899461 1065052432 /nfs/dbraw/zinc/05/24/32/1065052432.db2.gz JJNMLNRIUHKORO-IBGZPJMESA-N 0 0 450.689 4.963 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3nc(Br)ccc3Br)CC2)c1 ZINC001435900393 1065052720 /nfs/dbraw/zinc/05/27/20/1065052720.db2.gz SEUAPNBPYAAUPT-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435900705 1065053115 /nfs/dbraw/zinc/05/31/15/1065053115.db2.gz COZDPLCXORVHAL-KETLNSEPSA-N 0 0 453.336 4.812 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCOc3ccc(F)cc32)[C@@H]1c1ccccc1OC ZINC001435902751 1065054081 /nfs/dbraw/zinc/05/40/81/1065054081.db2.gz ONFBSONSZQAONG-HWHXTQLESA-N 0 0 454.542 4.554 20 0 JJADRN C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cn1 ZINC001435902271 1065054094 /nfs/dbraw/zinc/05/40/94/1065054094.db2.gz NIEQKQPCLIXANP-QGZVFWFLSA-N 0 0 450.988 4.537 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC001435904332 1065054888 /nfs/dbraw/zinc/05/48/88/1065054888.db2.gz JWJKYVPNVNYZDB-GOSISDBHSA-N 0 0 454.876 4.597 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC[C@H]1c1ccc(C)o1 ZINC001435905175 1065055399 /nfs/dbraw/zinc/05/53/99/1065055399.db2.gz VBFXFNRVDCRLFC-PMACEKPBSA-N 0 0 457.958 4.754 20 0 JJADRN CCCCCn1nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c2ccccc2c1=O ZINC001435906218 1065055977 /nfs/dbraw/zinc/05/59/77/1065055977.db2.gz FOOJUCBBDYLZSC-VGSWGCGISA-N 0 0 453.970 4.842 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(-n2cc(Cl)cn2)n1 ZINC001435906669 1065056208 /nfs/dbraw/zinc/05/62/08/1065056208.db2.gz IWKDACHSNUNKML-UHFFFAOYSA-N 0 0 459.909 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3c(Cl)nccc3C(F)(F)F)cc2C1 ZINC001435907687 1065056765 /nfs/dbraw/zinc/05/67/65/1065056765.db2.gz JIXMNOMXGQPWPN-UHFFFAOYSA-N 0 0 455.864 4.935 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001435909233 1065058230 /nfs/dbraw/zinc/05/82/30/1065058230.db2.gz IMQOKMHRWHTGEE-SJORKVTESA-N 0 0 459.384 4.613 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC(F)(F)F)c2ccccc2c1=O ZINC001360156636 1065058507 /nfs/dbraw/zinc/05/85/07/1065058507.db2.gz HJIRGXZUKBWCSZ-INIZCTEOSA-N 0 0 492.546 4.582 20 0 JJADRN CC(C)(CC1CCCCCC1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001435910920 1065058859 /nfs/dbraw/zinc/05/88/59/1065058859.db2.gz MCPNQDAWNDUQST-QHCPKHFHSA-N 0 0 451.970 4.501 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001435910903 1065058960 /nfs/dbraw/zinc/05/89/60/1065058960.db2.gz HDTXJOOUKQEPFE-UHFFFAOYSA-N 0 0 456.530 4.533 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)Cc1cccc(Cl)c1 ZINC001435911603 1065059536 /nfs/dbraw/zinc/05/95/36/1065059536.db2.gz DKSPDPFZQQYTPO-GOSISDBHSA-N 0 0 452.776 4.861 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2ccc([C@H]3CCCOC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001360161101 1065059762 /nfs/dbraw/zinc/05/97/62/1065059762.db2.gz BYWSEEIVCCEWDZ-UPVQGACJSA-N 0 0 457.014 4.816 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001435912517 1065059794 /nfs/dbraw/zinc/05/97/94/1065059794.db2.gz PKINXGQLWUEJSC-CYBMUJFWSA-N 0 0 454.851 4.699 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1 ZINC001435912451 1065059806 /nfs/dbraw/zinc/05/98/06/1065059806.db2.gz YDBMOXQHDHTJMR-UHFFFAOYSA-N 0 0 452.576 4.573 20 0 JJADRN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)c1ccc(Cl)cn1 ZINC001435912611 1065059817 /nfs/dbraw/zinc/05/98/17/1065059817.db2.gz MOWBZQZCZFUNJM-KBPBESRZSA-N 0 0 457.379 4.727 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)/C=C\c2nc3ccccc3s2)c2ccc(Cl)cc2)CCO1 ZINC001360161462 1065060272 /nfs/dbraw/zinc/06/02/72/1065060272.db2.gz JLVNUCKGYVNVJI-DUQGCJEPSA-N 0 0 456.011 4.931 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 ZINC001435913578 1065060492 /nfs/dbraw/zinc/06/04/92/1065060492.db2.gz RDHWXAMGYNQWSA-NDEPHWFRSA-N 0 0 453.542 4.790 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1Cc1nc(C(C)(C)C)cs1 ZINC001360161709 1065060680 /nfs/dbraw/zinc/06/06/80/1065060680.db2.gz GEQVEVNOLWMRAO-CQSZACIVSA-N 0 0 476.597 4.694 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1ccc(F)c(F)c1F ZINC001435915159 1065061174 /nfs/dbraw/zinc/06/11/74/1065061174.db2.gz YSOQSMLTBCODLF-CYBMUJFWSA-N 0 0 458.274 4.696 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360162736 1065061770 /nfs/dbraw/zinc/06/17/70/1065061770.db2.gz RSIXVFIVYFUZAL-YFVAEKQCSA-N 0 0 473.637 4.983 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360162735 1065061838 /nfs/dbraw/zinc/06/18/38/1065061838.db2.gz RSIXVFIVYFUZAL-FBBABVLZSA-N 0 0 473.637 4.983 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)ccc1F ZINC001435915334 1065061813 /nfs/dbraw/zinc/06/18/13/1065061813.db2.gz PQXXHFOUWBTSKJ-UHFFFAOYSA-N 0 0 454.951 4.597 20 0 JJADRN CN1CCN(c2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2Br)CC1 ZINC001435915451 1065061890 /nfs/dbraw/zinc/06/18/90/1065061890.db2.gz GXCYETFLTQTJCH-UHFFFAOYSA-N 0 0 450.808 4.816 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001360163098 1065061888 /nfs/dbraw/zinc/06/18/88/1065061888.db2.gz ZFZQJXYTIJZIHC-LPHOPBHVSA-N 0 0 475.062 4.632 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001435915424 1065061990 /nfs/dbraw/zinc/06/19/90/1065061990.db2.gz RDIRDITUIARARF-UHFFFAOYSA-N 0 0 450.441 4.855 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C2CCCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360164431 1065062256 /nfs/dbraw/zinc/06/22/56/1065062256.db2.gz SHOPEGJWVBWPOT-UHFFFAOYSA-N 0 0 484.645 4.775 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC1CCC(C(F)(F)F)CC1 ZINC001360164723 1065062271 /nfs/dbraw/zinc/06/22/71/1065062271.db2.gz YDHCSUGWCPNCLL-OUNSHVDWSA-N 0 0 463.548 4.909 20 0 JJADRN CCOCCOCCN(C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001435917565 1065062445 /nfs/dbraw/zinc/06/24/45/1065062445.db2.gz NMMBGRREWPONEN-UHFFFAOYSA-N 0 0 457.368 4.789 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N[C@@H]1CC[C@H](OC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435919495 1065062819 /nfs/dbraw/zinc/06/28/19/1065062819.db2.gz KYMGCPFKNSYJPT-MOPGFXCFSA-N 0 0 454.954 4.526 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC001435918045 1065062947 /nfs/dbraw/zinc/06/29/47/1065062947.db2.gz FAHLUDFKHHWUNY-LBPRGKRZSA-N 0 0 451.470 4.778 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001360167953 1065063008 /nfs/dbraw/zinc/06/30/08/1065063008.db2.gz YPLVINVPLMHDJS-SFHVURJKSA-N 0 0 456.589 4.632 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1)c1ccccc1 ZINC001435919690 1065063338 /nfs/dbraw/zinc/06/33/38/1065063338.db2.gz YUMTUFOULRXJEN-NDEPHWFRSA-N 0 0 453.542 4.708 20 0 JJADRN COC1CCC(C(=O)N2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001435919219 1065063414 /nfs/dbraw/zinc/06/34/14/1065063414.db2.gz BFFLXXXODXFVSB-UGAUIIJPSA-N 0 0 458.643 4.956 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919860 1065063455 /nfs/dbraw/zinc/06/34/55/1065063455.db2.gz DYQSWVKAHZDKRA-ZXMXYHOLSA-N 0 0 456.627 4.756 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1)c1ccccc1 ZINC001435919685 1065063524 /nfs/dbraw/zinc/06/35/24/1065063524.db2.gz YUMTUFOULRXJEN-MUUNZHRXSA-N 0 0 453.542 4.708 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NCCc2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435920140 1065063844 /nfs/dbraw/zinc/06/38/44/1065063844.db2.gz HUJPGZVTEGIRJN-VFNWGFHPSA-N 0 0 452.904 4.804 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)ccc1Br ZINC001435920457 1065063976 /nfs/dbraw/zinc/06/39/76/1065063976.db2.gz LAKXMQICFRRHQD-UHFFFAOYSA-N 0 0 457.280 4.642 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360169552 1065064147 /nfs/dbraw/zinc/06/41/47/1065064147.db2.gz JHUBSKWUYDKZEF-XLIONFOSSA-N 0 0 480.028 4.687 20 0 JJADRN CC(C)n1nccc1C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435921409 1065064241 /nfs/dbraw/zinc/06/42/41/1065064241.db2.gz MEJAHVMHIUSEHX-FCHUYYIVSA-N 0 0 454.615 4.842 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001360169881 1065064812 /nfs/dbraw/zinc/06/48/12/1065064812.db2.gz WHXYRNXBFOZZCU-FQEVSTJZSA-N 0 0 493.574 4.953 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC001435921767 1065064808 /nfs/dbraw/zinc/06/48/08/1065064808.db2.gz CMXRCJNOQSRRMZ-LBPRGKRZSA-N 0 0 451.907 4.674 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)n1 ZINC001435922610 1065065424 /nfs/dbraw/zinc/06/54/24/1065065424.db2.gz GGNQJWKWXMMGTA-UHFFFAOYSA-N 0 0 457.346 4.762 20 0 JJADRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)O[C@@H](c1ccccc1)C1CCCCC1 ZINC001435922789 1065065474 /nfs/dbraw/zinc/06/54/74/1065065474.db2.gz HJUHEHWARVRMAU-NRFANRHFSA-N 0 0 456.336 4.910 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360172323 1065065427 /nfs/dbraw/zinc/06/54/27/1065065427.db2.gz GOYPXLOWZRDEPK-UHFFFAOYSA-N 0 0 455.500 4.561 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)N(C(=O)OCc2ccccc2)C1 ZINC001360172299 1065065478 /nfs/dbraw/zinc/06/54/78/1065065478.db2.gz VAIVMUBLBBJTNC-XPWALMASSA-N 0 0 456.970 4.724 20 0 JJADRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2)C1=O ZINC001435923278 1065065766 /nfs/dbraw/zinc/06/57/66/1065065766.db2.gz WILNANIPKGPKJG-DEOSSOPVSA-N 0 0 451.885 4.552 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001360173262 1065065699 /nfs/dbraw/zinc/06/56/99/1065065699.db2.gz SKJMTKLSOXULBM-IBGZPJMESA-N 0 0 460.022 4.588 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1(c2ccccc2OC)CCC1 ZINC001545894207 1065066171 /nfs/dbraw/zinc/06/61/71/1065066171.db2.gz RFSVDCXMCWRTSH-GOSISDBHSA-N 0 0 489.611 4.809 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C ZINC001360174786 1065066311 /nfs/dbraw/zinc/06/63/11/1065066311.db2.gz QBUCHJBTBVNQCU-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CC2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001360175524 1065066328 /nfs/dbraw/zinc/06/63/28/1065066328.db2.gz LPXOZMJYQIZSNV-SFHVURJKSA-N 0 0 466.399 4.516 20 0 JJADRN Cc1cccc2sc(C(=O)N3CCN(C(=O)[C@@H](C)Oc4ccccc4C)CC3)c(Cl)c21 ZINC001360174974 1065066491 /nfs/dbraw/zinc/06/64/91/1065066491.db2.gz UTBOOVCGMKXJQI-QGZVFWFLSA-N 0 0 456.995 4.923 20 0 JJADRN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1scc2c1OCCO2 ZINC001435925609 1065066532 /nfs/dbraw/zinc/06/65/32/1065066532.db2.gz RYSBEFXCSWIPEF-UHFFFAOYSA-N 0 0 457.348 4.654 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccnc1Sc1ccccc1 ZINC001435928271 1065067506 /nfs/dbraw/zinc/06/75/06/1065067506.db2.gz ULZDWQBZYQPZNE-SFHVURJKSA-N 0 0 457.477 4.787 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC001435927324 1065067532 /nfs/dbraw/zinc/06/75/32/1065067532.db2.gz KILPYBBKLBBPSI-OAHLLOKOSA-N 0 0 455.274 4.620 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1 ZINC001435927436 1065067600 /nfs/dbraw/zinc/06/76/00/1065067600.db2.gz YIOLSIJNQKHPQJ-ZDUSSCGKSA-N 0 0 450.402 4.588 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001435928070 1065067708 /nfs/dbraw/zinc/06/77/08/1065067708.db2.gz SADAGLCXPYUXKK-OAQYLSRUSA-N 0 0 454.448 4.673 20 0 JJADRN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001435928726 1065068132 /nfs/dbraw/zinc/06/81/32/1065068132.db2.gz MTVQDQVPTMARPX-RTBURBONSA-N 0 0 454.596 4.676 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Oc3cccnn3)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001360180922 1065068287 /nfs/dbraw/zinc/06/82/87/1065068287.db2.gz LHLBYPGSVQOBTE-IIBYNOLFSA-N 0 0 457.317 4.734 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)Cc3csc4ccc(Br)cc34)cc21 ZINC001360180583 1065068299 /nfs/dbraw/zinc/06/82/99/1065068299.db2.gz FRPUOBRFWNYZBT-UHFFFAOYSA-N 0 0 456.365 4.546 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)O[C@@H]2CCOc3c(C)cccc32)nnc1-c1ccccc1 ZINC001435929992 1065068399 /nfs/dbraw/zinc/06/83/99/1065068399.db2.gz HDBKTNBBVWDFBW-YLJYHZDGSA-N 0 0 453.564 4.620 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435929972 1065068731 /nfs/dbraw/zinc/06/87/31/1065068731.db2.gz HNELTJGNCWVERL-UXHICEINSA-N 0 0 451.449 4.854 20 0 JJADRN CCc1csc(-n2cc(C(=O)N[C@H](Cc3cccc(Br)c3)CC3CC3)cn2)n1 ZINC001435932026 1065069047 /nfs/dbraw/zinc/06/90/47/1065069047.db2.gz AQMGFAKAYBDZAD-IBGZPJMESA-N 0 0 459.413 4.795 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC001435932125 1065069231 /nfs/dbraw/zinc/06/92/31/1065069231.db2.gz CGTFJDOKKBWJLA-QHCPKHFHSA-N 0 0 450.579 4.833 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCc3cccnc32)c1 ZINC001435931441 1065069267 /nfs/dbraw/zinc/06/92/67/1065069267.db2.gz NMJNTGSAIFQFKA-QHCPKHFHSA-N 0 0 450.560 4.921 20 0 JJADRN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1nc(C(C)(C)C)cs1 ZINC001360182137 1065069347 /nfs/dbraw/zinc/06/93/47/1065069347.db2.gz FSFBHCGFXXLEQD-OAHLLOKOSA-N 0 0 452.617 4.934 20 0 JJADRN C[C@@H](NC(=O)C1(c2ccc(I)cc2)CC1)c1nc(C(C)(C)C)cs1 ZINC001360182783 1065069655 /nfs/dbraw/zinc/06/96/55/1065069655.db2.gz ZVJQBHUUKPNDIR-GFCCVEGCSA-N 0 0 454.377 4.954 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccc(OC2CCCC2)nc1 ZINC001360182806 1065069790 /nfs/dbraw/zinc/06/97/90/1065069790.db2.gz FBLRLIZFNTWACY-UHFFFAOYSA-N 0 0 482.654 4.658 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001435933425 1065070154 /nfs/dbraw/zinc/07/01/54/1065070154.db2.gz FRDKQOCFWNWDGW-QHCPKHFHSA-N 0 0 459.933 4.783 20 0 JJADRN CC[C@]1(C(=O)Nc2cc(I)ccc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001435934463 1065070657 /nfs/dbraw/zinc/07/06/57/1065070657.db2.gz ZTLSOBVPAGALNR-IBGZPJMESA-N 0 0 458.340 4.575 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1sc(-c2ccc(C)cc2F)nc1C ZINC001435934312 1065070785 /nfs/dbraw/zinc/07/07/85/1065070785.db2.gz XYJVNEKHRFFLCB-FQEVSTJZSA-N 0 0 451.523 4.561 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cncc(N2CCCC2)n1 ZINC001360183867 1065071042 /nfs/dbraw/zinc/07/10/42/1065071042.db2.gz QDNBEAVQHIRQEH-UHFFFAOYSA-N 0 0 452.898 4.561 20 0 JJADRN CN(C)[C@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935584 1065071331 /nfs/dbraw/zinc/07/13/31/1065071331.db2.gz YLNBHSSHHPMTGG-RPWUZVMVSA-N 0 0 450.966 4.586 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001435936356 1065071628 /nfs/dbraw/zinc/07/16/28/1065071628.db2.gz HZEANPMZGFGERB-LBPRGKRZSA-N 0 0 459.565 4.733 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC001360187393 1065072282 /nfs/dbraw/zinc/07/22/82/1065072282.db2.gz CIVSKMBVZOFNIU-JWQCQUIFSA-N 0 0 453.533 4.524 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC(OCc3ccccc3)C2)CC1 ZINC001360187785 1065072664 /nfs/dbraw/zinc/07/26/64/1065072664.db2.gz IBBXRFJPMWERSU-RHKCVOJBSA-N 0 0 457.412 4.650 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC001435940157 1065073569 /nfs/dbraw/zinc/07/35/69/1065073569.db2.gz MTAAPLVEJMGYSH-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN Cc1nc2ccc(C(=O)N3CCN([C@H](C)c4ccc(Br)cc4)CC3)cc2nc1C ZINC001360189046 1065073632 /nfs/dbraw/zinc/07/36/32/1065073632.db2.gz ZPCADKFMOLWXCV-QGZVFWFLSA-N 0 0 453.384 4.528 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CC(C)(C)c1cccs1 ZINC001360189927 1065073692 /nfs/dbraw/zinc/07/36/92/1065073692.db2.gz YUYJSGOGCBWYHX-UHFFFAOYSA-N 0 0 488.455 4.738 20 0 JJADRN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001435939636 1065073660 /nfs/dbraw/zinc/07/36/60/1065073660.db2.gz KRWOHEDCLAGPBB-IBGZPJMESA-N 0 0 452.576 4.639 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c1 ZINC001435940798 1065074259 /nfs/dbraw/zinc/07/42/59/1065074259.db2.gz QMTBEQFADDDFLE-MRXNPFEDSA-N 0 0 453.283 4.602 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1cc(F)cc(Br)c1 ZINC001435941477 1065074631 /nfs/dbraw/zinc/07/46/31/1065074631.db2.gz JPTRHEKKXCIPHR-DNVCBOLYSA-N 0 0 457.347 4.677 20 0 JJADRN Cc1ncc(Br)c(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)n1 ZINC001360190370 1065074630 /nfs/dbraw/zinc/07/46/30/1065074630.db2.gz ULNXVPJJLACJNR-ZDUSSCGKSA-N 0 0 457.191 4.619 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545894345 1065075124 /nfs/dbraw/zinc/07/51/24/1065075124.db2.gz UYYSGHOFTICSJU-UHFFFAOYSA-N 0 0 481.563 4.812 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360190829 1065075315 /nfs/dbraw/zinc/07/53/15/1065075315.db2.gz GFRZEXQRWHBYQD-JSXRDJHFSA-N 0 0 459.679 4.805 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360191843 1065075658 /nfs/dbraw/zinc/07/56/58/1065075658.db2.gz ULPBZLTXHMDQHL-UNMCSNQZSA-N 0 0 496.656 4.971 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360191841 1065075668 /nfs/dbraw/zinc/07/56/68/1065075668.db2.gz ULPBZLTXHMDQHL-RBBKRZOGSA-N 0 0 496.656 4.971 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1cc(F)cc(Br)c1 ZINC001435944046 1065075730 /nfs/dbraw/zinc/07/57/30/1065075730.db2.gz WBQSJOYABKTEFI-RDJZCZTQSA-N 0 0 457.137 4.922 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435944201 1065075740 /nfs/dbraw/zinc/07/57/40/1065075740.db2.gz XKPUBQFGNXRRCM-CQSZACIVSA-N 0 0 453.370 4.617 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(Cl)c(I)c1)c1ccccc1 ZINC001360191743 1065075814 /nfs/dbraw/zinc/07/58/14/1065075814.db2.gz IPUPNGBBFSJGDT-INIZCTEOSA-N 0 0 457.695 4.543 20 0 JJADRN CSCc1cccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001435945192 1065075843 /nfs/dbraw/zinc/07/58/43/1065075843.db2.gz XWOYIZGOJCNUDH-DHIUTWEWSA-N 0 0 454.636 4.892 20 0 JJADRN O=C(CCCOc1ccc2c(c1)OCO2)N1CCCc2cc(Br)cc(Cl)c21 ZINC001360193399 1065076111 /nfs/dbraw/zinc/07/61/11/1065076111.db2.gz BIKIVFXHUNQLGT-UHFFFAOYSA-N 0 0 452.732 4.970 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1cc(Br)cnc1Br ZINC001360220496 1065076137 /nfs/dbraw/zinc/07/61/37/1065076137.db2.gz JQQGLTHAWNRHGG-UHFFFAOYSA-N 0 0 452.903 4.761 20 0 JJADRN CCCc1nc(C)c(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1 ZINC001435946005 1065076257 /nfs/dbraw/zinc/07/62/57/1065076257.db2.gz IHIGMZXJILZGGA-UHFFFAOYSA-N 0 0 457.621 4.937 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)CCc3ccc(C(N)=O)cc3)c2C(=O)OC(C)(C)C)C1 ZINC001435947797 1065076747 /nfs/dbraw/zinc/07/67/47/1065076747.db2.gz CGBKMIWWAUXRNV-OAHLLOKOSA-N 0 0 456.608 4.889 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)C1 ZINC001492597031 1065076633 /nfs/dbraw/zinc/07/66/33/1065076633.db2.gz QMBIESZOMMKHGY-HNNXBMFYSA-N 0 0 480.357 4.667 20 0 JJADRN C[C@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3ccnc(OC(F)F)c3)sc2[C@H](C)O1 ZINC001435948145 1065077035 /nfs/dbraw/zinc/07/70/35/1065077035.db2.gz DDFBAZCAJUHZNQ-QWRGUYRKSA-N 0 0 454.495 4.974 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3ccnc(OC(F)F)c3)sc2[C@H](C)O1 ZINC001435948138 1065077129 /nfs/dbraw/zinc/07/71/29/1065077129.db2.gz DDFBAZCAJUHZNQ-MNOVXSKESA-N 0 0 454.495 4.974 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N3CCCCC[C@@H]3C)nnc2-c2cccnc2)cc1 ZINC001435948215 1065077213 /nfs/dbraw/zinc/07/72/13/1065077213.db2.gz HAJOQLYUARKQMU-SFHVURJKSA-N 0 0 451.596 4.611 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC001360198481 1065077641 /nfs/dbraw/zinc/07/76/41/1065077641.db2.gz XVRZAUDLVKXKNN-NRFANRHFSA-N 0 0 452.530 4.997 20 0 JJADRN CN(C(=O)c1nn(-c2ccccc2F)cc1Br)[C@H]1CCCN(c2ccccc2)C1 ZINC001360198578 1065077688 /nfs/dbraw/zinc/07/76/88/1065077688.db2.gz ZRNPIJTXLSRFPN-KRWDZBQOSA-N 0 0 457.347 4.515 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)c2)cn1 ZINC001360198452 1065077725 /nfs/dbraw/zinc/07/77/25/1065077725.db2.gz XJMSCBWMPNXSLF-OAQYLSRUSA-N 0 0 455.480 4.997 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001360198541 1065077791 /nfs/dbraw/zinc/07/77/91/1065077791.db2.gz ZCZIQEMJZOHQHK-HNNXBMFYSA-N 0 0 452.383 4.702 20 0 JJADRN CN(C(=O)CCOc1ccc(Cl)cc1Br)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360198350 1065077800 /nfs/dbraw/zinc/07/78/00/1065077800.db2.gz VNVKTTUARMPPGL-GOSISDBHSA-N 0 0 451.792 4.999 20 0 JJADRN C[C@H]1Cc2c(sc(NC(=O)c3ccc(-n4cccn4)nc3)c2C(=O)OC(C)(C)C)[C@H](C)O1 ZINC001435951113 1065077966 /nfs/dbraw/zinc/07/79/66/1065077966.db2.gz NHUYNNDJPBLPNH-KBPBESRZSA-N 0 0 454.552 4.559 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccn(C)n4)on3)c2C(=O)OC(C)(C)C)C1 ZINC001435951473 1065078594 /nfs/dbraw/zinc/07/85/94/1065078594.db2.gz OPAFYZKDNUFXGH-CYBMUJFWSA-N 0 0 456.568 4.859 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001435953018 1065078952 /nfs/dbraw/zinc/07/89/52/1065078952.db2.gz DPHZHIVFAJVJGI-LEWJYISDSA-N 0 0 457.412 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001360203392 1065079096 /nfs/dbraw/zinc/07/90/96/1065079096.db2.gz FBPKSGKFASCDMO-UHFFFAOYSA-N 0 0 485.501 4.595 20 0 JJADRN C[C@H](NC(=O)CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC001360202855 1065079294 /nfs/dbraw/zinc/07/92/94/1065079294.db2.gz LFYWWNLOHRLLFP-NSHDSACASA-N 0 0 450.771 4.697 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001360203953 1065079691 /nfs/dbraw/zinc/07/96/91/1065079691.db2.gz WKLVGNKUPUGYRV-UAPYVXQJSA-N 0 0 467.511 4.843 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001360206084 1065080061 /nfs/dbraw/zinc/08/00/61/1065080061.db2.gz SCTPDQKNOHRWBR-CQSZACIVSA-N 0 0 452.780 4.704 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435956156 1065080256 /nfs/dbraw/zinc/08/02/56/1065080256.db2.gz GGNMWWDQRNQKEX-OAQYLSRUSA-N 0 0 457.431 4.592 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435956155 1065080266 /nfs/dbraw/zinc/08/02/66/1065080266.db2.gz GGNMWWDQRNQKEX-NRFANRHFSA-N 0 0 457.431 4.592 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001360206519 1065080417 /nfs/dbraw/zinc/08/04/17/1065080417.db2.gz YQJDGORQQOCOAS-XXBNENTESA-N 0 0 456.608 4.794 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001360206517 1065080539 /nfs/dbraw/zinc/08/05/39/1065080539.db2.gz YQJDGORQQOCOAS-CVDCTZTESA-N 0 0 456.608 4.794 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001360207460 1065080601 /nfs/dbraw/zinc/08/06/01/1065080601.db2.gz DDEUILKPHUSOBH-AMGIVPHBSA-N 0 0 450.579 4.528 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC001360207922 1065081037 /nfs/dbraw/zinc/08/10/37/1065081037.db2.gz QPIXINDPDMQPIL-KPOBHBOGSA-N 0 0 465.413 4.538 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC001360207927 1065081044 /nfs/dbraw/zinc/08/10/44/1065081044.db2.gz QPIXINDPDMQPIL-XMCHAPAWSA-N 0 0 465.413 4.538 20 0 JJADRN CCOC(=O)N1CC[C@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001435957601 1065081083 /nfs/dbraw/zinc/08/10/83/1065081083.db2.gz OPEQMHKCFMDJBA-NRFANRHFSA-N 0 0 453.970 4.623 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)COc1ccc(Cl)c(F)c1 ZINC001435957476 1065081217 /nfs/dbraw/zinc/08/12/17/1065081217.db2.gz NDANEPXQRSZUKO-MRXNPFEDSA-N 0 0 458.755 4.775 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001360209498 1065081252 /nfs/dbraw/zinc/08/12/52/1065081252.db2.gz WKVYJJZVCRBEKG-FGZHOGPDSA-N 0 0 458.436 4.666 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001360210008 1065081386 /nfs/dbraw/zinc/08/13/86/1065081386.db2.gz BJFSNDAHPMJCES-UHFFFAOYSA-N 0 0 451.441 4.879 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)CSc3nnc(-c4cccs4)n3C)cc2)c1 ZINC001360209602 1065081424 /nfs/dbraw/zinc/08/14/24/1065081424.db2.gz ZACMTLWZEPKENZ-UHFFFAOYSA-N 0 0 450.589 4.628 20 0 JJADRN Cc1cc(C)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1Br ZINC001435958031 1065081601 /nfs/dbraw/zinc/08/16/01/1065081601.db2.gz QFDKATMEBUFZFT-UHFFFAOYSA-N 0 0 455.146 4.781 20 0 JJADRN O=C(c1cc(Br)cc(Br)c1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001435958875 1065082216 /nfs/dbraw/zinc/08/22/16/1065082216.db2.gz KXXVRWXAKPUJER-UHFFFAOYSA-N 0 0 454.137 4.980 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1csc([C@@H]2CCCO2)n1 ZINC001435960621 1065083516 /nfs/dbraw/zinc/08/35/16/1065083516.db2.gz MZFZNUWKTCUJIK-MJGOQNOKSA-N 0 0 458.381 4.866 20 0 JJADRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccccc2I)cc1 ZINC001435961848 1065083974 /nfs/dbraw/zinc/08/39/74/1065083974.db2.gz FDAWEIQVYVDVOR-UHFFFAOYSA-N 0 0 457.315 4.599 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)cc2)n1 ZINC001360216223 1065084180 /nfs/dbraw/zinc/08/41/80/1065084180.db2.gz CJKQADBDZLLBRZ-PMACEKPBSA-N 0 0 458.562 4.873 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001435965994 1065084999 /nfs/dbraw/zinc/08/49/99/1065084999.db2.gz CMHSNIDOWMPQFM-NRFANRHFSA-N 0 0 459.359 4.915 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360217888 1065085154 /nfs/dbraw/zinc/08/51/54/1065085154.db2.gz ATSGIDPJJQCXLV-LQBOVUBWSA-N 0 0 471.621 4.520 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)OCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001435967104 1065085226 /nfs/dbraw/zinc/08/52/26/1065085226.db2.gz JOXAHIMIKJJSLB-UHFFFAOYSA-N 0 0 458.864 4.695 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)Oc2ccccc21 ZINC001360220230 1065085550 /nfs/dbraw/zinc/08/55/50/1065085550.db2.gz AWQNREONBUPEDL-DHIUTWEWSA-N 0 0 456.876 4.638 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(I)cn2)cc1NC(=O)OC(C)(C)C ZINC001360220331 1065085702 /nfs/dbraw/zinc/08/57/02/1065085702.db2.gz DRYHJLQIDWVLNL-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001435967872 1065085627 /nfs/dbraw/zinc/08/56/27/1065085627.db2.gz NJZCVJIRLLJMBS-VQTJNVASSA-N 0 0 464.990 4.609 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)Cc1cc(Cl)ccc1Br ZINC001435968524 1065085798 /nfs/dbraw/zinc/08/57/98/1065085798.db2.gz PXTIZJSVOVYNRP-QGZVFWFLSA-N 0 0 459.167 4.589 20 0 JJADRN CC(C)(C(=O)Nc1ccc(I)cn1)c1ccc(OC(F)(F)F)cc1 ZINC001360220619 1065086133 /nfs/dbraw/zinc/08/61/33/1065086133.db2.gz NCWWNEOEKVTHHV-UHFFFAOYSA-N 0 0 450.198 4.501 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)COCC(=O)OC(C)(C)C ZINC001360220698 1065086160 /nfs/dbraw/zinc/08/61/60/1065086160.db2.gz PXYDWQDFSLWFQU-UHFFFAOYSA-N 0 0 455.595 4.898 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC001435969320 1065086183 /nfs/dbraw/zinc/08/61/83/1065086183.db2.gz XJULGJSKYVYVNP-QFIPXVFZSA-N 0 0 453.970 4.862 20 0 JJADRN O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc(Cn2ccccc2=O)o1 ZINC001435969048 1065086249 /nfs/dbraw/zinc/08/62/49/1065086249.db2.gz WABZVMRYWVKQMY-IBGZPJMESA-N 0 0 459.315 4.662 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC001435969319 1065086310 /nfs/dbraw/zinc/08/63/10/1065086310.db2.gz XJULGJSKYVYVNP-JOCHJYFZSA-N 0 0 453.970 4.862 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CCSC(F)(F)F ZINC001360222158 1065086528 /nfs/dbraw/zinc/08/65/28/1065086528.db2.gz LBJYUFVDJGANAA-INIZCTEOSA-N 0 0 480.560 4.535 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H]1CCC[C@@H]1C ZINC001360221753 1065086629 /nfs/dbraw/zinc/08/66/29/1065086629.db2.gz CYXPIJXYRXVDOY-XHSDSOJGSA-N 0 0 484.592 4.712 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1CCC(NC(=O)C3CCCC3)CC1)CC2 ZINC001435970985 1065086730 /nfs/dbraw/zinc/08/67/30/1065086730.db2.gz PRMZXQILOHZISQ-UHFFFAOYSA-N 0 0 455.599 4.788 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1Cc1cscc1C(F)(F)F ZINC001360223188 1065087084 /nfs/dbraw/zinc/08/70/84/1065087084.db2.gz HEYXYCYNFLMSEE-SFHVURJKSA-N 0 0 493.555 4.593 20 0 JJADRN CC[C@H]1[C@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CCN1C(=O)OC(C)(C)C ZINC001435971756 1065087273 /nfs/dbraw/zinc/08/72/73/1065087273.db2.gz ZHJAFJYLWKWSCR-MJGOQNOKSA-N 0 0 459.587 4.958 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CCN1C(=O)OC(C)(C)C ZINC001435971753 1065087330 /nfs/dbraw/zinc/08/73/30/1065087330.db2.gz ZHJAFJYLWKWSCR-HKUYNNGSSA-N 0 0 459.587 4.958 20 0 JJADRN CCCCCCn1nc(C(=O)N2Cc3cccc(Br)c3C2)c2ccccc2c1=O ZINC001435973092 1065087642 /nfs/dbraw/zinc/08/76/42/1065087642.db2.gz DIQRZHUUZZHAKD-UHFFFAOYSA-N 0 0 454.368 4.895 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360223455 1065087712 /nfs/dbraw/zinc/08/77/12/1065087712.db2.gz MJUDQYHPGUUIAR-GRERDSQWSA-N 0 0 492.590 4.866 20 0 JJADRN COc1ccc(OCCCC(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001360225239 1065087967 /nfs/dbraw/zinc/08/79/67/1065087967.db2.gz QZOPXAZTIULKCY-UHFFFAOYSA-N 0 0 454.567 4.858 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001360224927 1065088053 /nfs/dbraw/zinc/08/80/53/1065088053.db2.gz MUSRVNBNZWJYPN-UHFFFAOYSA-N 0 0 454.523 4.840 20 0 JJADRN Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1-c1ccc(F)cc1 ZINC001435974877 1065088275 /nfs/dbraw/zinc/08/82/75/1065088275.db2.gz HGYKDAYFNSLYRO-RTWAWAEBSA-N 0 0 454.567 4.524 20 0 JJADRN Cc1ccc2c(c1)nc(CNC(=O)c1cc(Br)c(C)cc1Br)n2C ZINC001435975351 1065088601 /nfs/dbraw/zinc/08/86/01/1065088601.db2.gz HYBZCMUOMGBWKM-UHFFFAOYSA-N 0 0 451.162 4.645 20 0 JJADRN O=C(c1cccc(F)c1I)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC001435976126 1065089240 /nfs/dbraw/zinc/08/92/40/1065089240.db2.gz NNZGBLRDTVONDD-UHFFFAOYSA-N 0 0 456.686 4.713 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCNc1ncc(Cl)cc1Cl ZINC001360227153 1065089559 /nfs/dbraw/zinc/08/95/59/1065089559.db2.gz JYSBFTGDAZNMSQ-INIZCTEOSA-N 0 0 494.452 4.633 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccco2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360226683 1065089664 /nfs/dbraw/zinc/08/96/64/1065089664.db2.gz PICLGGTZJDYONB-FQEVSTJZSA-N 0 0 494.596 4.746 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360227621 1065089999 /nfs/dbraw/zinc/08/99/99/1065089999.db2.gz DMJWZSIHQWAYJZ-MBSDFSHPSA-N 0 0 458.549 4.914 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1 ZINC001435977789 1065090027 /nfs/dbraw/zinc/09/00/27/1065090027.db2.gz UVCHQDHALRXUTM-SANMLTNESA-N 0 0 454.636 4.877 20 0 JJADRN CCc1c(C(=O)Nc2cc(Br)cc3nc(C)oc32)cnn1-c1ccccc1OC ZINC001435978618 1065090215 /nfs/dbraw/zinc/09/02/15/1065090215.db2.gz YURBZGDTJWRLKY-UHFFFAOYSA-N 0 0 455.312 4.908 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCOC2(CCCC2)C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228574 1065091142 /nfs/dbraw/zinc/09/11/42/1065091142.db2.gz RHXPTNSCEVVTKO-GPUOULLFSA-N 0 0 454.655 4.738 20 0 JJADRN CCCc1c(C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)nnn1-c1cccc(C(C)C)c1 ZINC001435980889 1065091220 /nfs/dbraw/zinc/09/12/20/1065091220.db2.gz VTFBQPAMZPZERN-UHFFFAOYSA-N 0 0 458.566 4.849 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001435982806 1065091456 /nfs/dbraw/zinc/09/14/56/1065091456.db2.gz KFHZLIJZMOBXRD-PMACEKPBSA-N 0 0 451.382 4.552 20 0 JJADRN CC(C)OC[C@H](OC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)c1cccc(F)c1 ZINC001435981719 1065091485 /nfs/dbraw/zinc/09/14/85/1065091485.db2.gz YPIGAADTXXERRS-JCYRPKCISA-N 0 0 455.526 4.884 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c1 ZINC001360229523 1065091575 /nfs/dbraw/zinc/09/15/75/1065091575.db2.gz NMDPSDSFAPTJBS-HSZRJFAPSA-N 0 0 454.542 4.859 20 0 JJADRN O=C(CN1Cc2ccccc2OC1=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435982203 1065091643 /nfs/dbraw/zinc/09/16/43/1065091643.db2.gz APRSVBXTVBOQIN-OAHLLOKOSA-N 0 0 457.246 4.573 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001360230367 1065091918 /nfs/dbraw/zinc/09/19/18/1065091918.db2.gz YZPCZVYIJLQKMD-JOCHJYFZSA-N 0 0 453.564 4.560 20 0 JJADRN COc1ccc(COC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c(OC(F)F)c1 ZINC001360232303 1065092368 /nfs/dbraw/zinc/09/23/68/1065092368.db2.gz DJBXVTLKQOLZQM-UHFFFAOYSA-N 0 0 451.447 4.794 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1CCc1ccc(Cl)s1 ZINC001360232004 1065092402 /nfs/dbraw/zinc/09/24/02/1065092402.db2.gz VODHIMFZKXZQTM-HNNXBMFYSA-N 0 0 464.060 4.647 20 0 JJADRN CCOc1ccc(NC(=O)CCCCCNC(=O)NC2CCCCC2)cc1Br ZINC001435983903 1065092575 /nfs/dbraw/zinc/09/25/75/1065092575.db2.gz IYJHIGZIANVRHG-UHFFFAOYSA-N 0 0 454.409 4.979 20 0 JJADRN CN(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)n1 ZINC001360233747 1065093212 /nfs/dbraw/zinc/09/32/12/1065093212.db2.gz PWJXIOCTFRKMJF-MRXNPFEDSA-N 0 0 455.773 4.741 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC1CCSCC1 ZINC001360235928 1065094086 /nfs/dbraw/zinc/09/40/86/1065094086.db2.gz FNDHNLWIXIXOTI-CQSZACIVSA-N 0 0 459.662 4.945 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)O[C@@H]3CCC[C@@H]3Cc3ccccc3OC)o2)cc1 ZINC001435986781 1065094208 /nfs/dbraw/zinc/09/42/08/1065094208.db2.gz FWXSPRLXZIUNEY-WIYYLYMNSA-N 0 0 454.548 4.801 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nn1C1CCOCC1 ZINC001435987149 1065094252 /nfs/dbraw/zinc/09/42/52/1065094252.db2.gz JVPRVFFMDAOEPS-NRFANRHFSA-N 0 0 454.571 4.697 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)O[C@H]3CCC[C@@H]3Cc3ccccc3OC)o2)cc1 ZINC001435986774 1065094376 /nfs/dbraw/zinc/09/43/76/1065094376.db2.gz FWXSPRLXZIUNEY-NQIIRXRSSA-N 0 0 454.548 4.801 20 0 JJADRN Cc1ccc(C(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)cc1N1CCOCC1 ZINC001435987369 1065094676 /nfs/dbraw/zinc/09/46/76/1065094676.db2.gz XRVPMCBWDINSAY-UHFFFAOYSA-N 0 0 457.412 4.922 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)cc2)CCO1 ZINC001360236521 1065094717 /nfs/dbraw/zinc/09/47/17/1065094717.db2.gz YAGZOLSOZOWYIN-UTBUZHFYSA-N 0 0 457.615 4.570 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001360239290 1065095198 /nfs/dbraw/zinc/09/51/98/1065095198.db2.gz QGKKGIYLBLTZRX-UHFFFAOYSA-N 0 0 452.457 4.790 20 0 JJADRN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)CCc1c(Cl)cccc1Cl ZINC001435989669 1065095576 /nfs/dbraw/zinc/09/55/76/1065095576.db2.gz GWBRMUXCLDXWNA-HNNXBMFYSA-N 0 0 455.407 4.686 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001360240087 1065095766 /nfs/dbraw/zinc/09/57/66/1065095766.db2.gz OPBWDCYKBFSXQN-UHFFFAOYSA-N 0 0 451.111 4.842 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCc2ccccc21)c1ccc(Br)cc1 ZINC001360242419 1065096081 /nfs/dbraw/zinc/09/60/81/1065096081.db2.gz DITIWQKXUNKHHA-YLJYHZDGSA-N 0 0 459.384 4.861 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)COc3ccc(-c4ccccc4)cc3Cl)ccc21 ZINC001435990578 1065096083 /nfs/dbraw/zinc/09/60/83/1065096083.db2.gz SNLLAGUROHTOJJ-UHFFFAOYSA-N 0 0 450.922 4.560 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001360242332 1065096174 /nfs/dbraw/zinc/09/61/74/1065096174.db2.gz DIBWITCFYVFIEX-MBNYWOFBSA-N 0 0 457.294 4.747 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)C1 ZINC001435989940 1065096296 /nfs/dbraw/zinc/09/62/96/1065096296.db2.gz RGQLGSYPZXRYIM-LQBOVUBWSA-N 0 0 457.615 4.812 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001360243917 1065096810 /nfs/dbraw/zinc/09/68/10/1065096810.db2.gz YUAOGSMGUDNUEA-UHFFFAOYSA-N 0 0 451.445 4.668 20 0 JJADRN CCN(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)Cc1ccsc1 ZINC001435992876 1065097081 /nfs/dbraw/zinc/09/70/81/1065097081.db2.gz WVYLRJVEDNJMPL-HNNXBMFYSA-N 0 0 458.443 4.544 20 0 JJADRN COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)Cc1ccc(I)cc1 ZINC001435992581 1065097122 /nfs/dbraw/zinc/09/71/22/1065097122.db2.gz SUTLDZKTPHYCCZ-PXNSSMCTSA-N 0 0 450.316 4.797 20 0 JJADRN CC(C)CN(C(=O)c1cn(Cc2ccccn2)nn1)C(C)(C)c1ccc(Br)cc1 ZINC001435993407 1065097579 /nfs/dbraw/zinc/09/75/79/1065097579.db2.gz ZWRWQCCDODEXJW-UHFFFAOYSA-N 0 0 456.388 4.517 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)ccn2)C1 ZINC001360245800 1065097778 /nfs/dbraw/zinc/09/77/78/1065097778.db2.gz RRRJTLITRPKLEZ-LJQANCHMSA-N 0 0 455.624 4.818 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360250300 1065098610 /nfs/dbraw/zinc/09/86/10/1065098610.db2.gz ACDSXWVEFOTSIV-XLIONFOSSA-N 0 0 496.002 4.863 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C1CC(C(C)(C)C)C1 ZINC001360249583 1065098775 /nfs/dbraw/zinc/09/87/75/1065098775.db2.gz KUVPTXYGHDFGOA-LYBXBRPPSA-N 0 0 460.022 4.645 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3c(F)cccc3I)CC2)cc1 ZINC001435995249 1065098860 /nfs/dbraw/zinc/09/88/60/1065098860.db2.gz QCSWURMIFGERHG-UHFFFAOYSA-N 0 0 452.311 4.516 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2Br)cc1OC ZINC001435997007 1065099401 /nfs/dbraw/zinc/09/94/01/1065099401.db2.gz FIPJRDPFHDNXCT-UHFFFAOYSA-N 0 0 459.134 4.880 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)c(F)c1)c1ccccc1 ZINC001360252350 1065099843 /nfs/dbraw/zinc/09/98/43/1065099843.db2.gz IKTUHIDOQPZKNV-NRFANRHFSA-N 0 0 455.327 4.592 20 0 JJADRN O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001436000534 1065101209 /nfs/dbraw/zinc/10/12/09/1065101209.db2.gz FMSUAORLDUXTJN-NRFANRHFSA-N 0 0 459.290 4.759 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001436000488 1065101277 /nfs/dbraw/zinc/10/12/77/1065101277.db2.gz GEUCUSVNDLKROK-UHFFFAOYSA-N 0 0 450.539 4.938 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(F)c2I)c1 ZINC001360255868 1065101603 /nfs/dbraw/zinc/10/16/03/1065101603.db2.gz AHXCEZYSGLCUOW-XMMPIXPASA-N 0 0 459.324 4.730 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360253687 1065101637 /nfs/dbraw/zinc/10/16/37/1065101637.db2.gz JQIPEZVIQKMPLF-UHFFFAOYSA-N 0 0 497.537 4.552 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001360255776 1065101775 /nfs/dbraw/zinc/10/17/75/1065101775.db2.gz XJQZFLARXVEAFY-MRXNPFEDSA-N 0 0 450.560 4.977 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001436000590 1065102088 /nfs/dbraw/zinc/10/20/88/1065102088.db2.gz GSYGVGTWWBIEIF-ZHACJKMWSA-N 0 0 451.567 4.720 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001436001168 1065102123 /nfs/dbraw/zinc/10/21/23/1065102123.db2.gz KPGOZZAOUYRSGQ-QFIPXVFZSA-N 0 0 457.347 4.596 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001436001215 1065102143 /nfs/dbraw/zinc/10/21/43/1065102143.db2.gz KINWCIZOHLPSPL-UHFFFAOYSA-N 0 0 453.583 4.767 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1 ZINC001360255918 1065102286 /nfs/dbraw/zinc/10/22/86/1065102286.db2.gz CZQGHNBURPZMCW-JGCGQSQUSA-N 0 0 457.523 4.657 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cccc(NC(=O)c2ccco2)c1 ZINC001360256456 1065102975 /nfs/dbraw/zinc/10/29/75/1065102975.db2.gz 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Cc1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)ccc1N1C(=O)CCC1=O ZINC001360303654 1065136411 /nfs/dbraw/zinc/13/64/11/1065136411.db2.gz JYOMNZAEQOALBD-UHFFFAOYSA-N 0 0 456.589 4.535 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001360303562 1065136441 /nfs/dbraw/zinc/13/64/41/1065136441.db2.gz HZVKTWSWUGJNPQ-GOSISDBHSA-N 0 0 450.922 4.810 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2ccc(Br)c3cccnc23)c1Br ZINC001436043384 1065137977 /nfs/dbraw/zinc/13/79/77/1065137977.db2.gz IHSQGERAPQITEA-UHFFFAOYSA-N 0 0 452.150 4.964 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccco2)cc1 ZINC001360304655 1065137914 /nfs/dbraw/zinc/13/79/14/1065137914.db2.gz OCCKLJXCYDURMB-AVRDEDQJSA-N 0 0 466.586 4.888 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NCc3ccncc3OCC(F)(F)F)cs2)cc1 ZINC001436043366 1065138092 /nfs/dbraw/zinc/13/80/92/1065138092.db2.gz GHKBJCKUEKQDAH-UHFFFAOYSA-N 0 0 451.470 4.863 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(Cl)ncc3Br)CC2)c1 ZINC001436043456 1065138686 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451.473 4.811 20 0 JJADRN CCC(CC)(NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)C(=O)OC ZINC001436046404 1065141302 /nfs/dbraw/zinc/14/13/02/1065141302.db2.gz ZHIWBAFZCCRUFX-UHFFFAOYSA-N 0 0 456.340 4.521 20 0 JJADRN CCC(CC)(C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(OC)c(OC)c1 ZINC001436047895 1065141975 /nfs/dbraw/zinc/14/19/75/1065141975.db2.gz HCUWVIHURBFISP-UHFFFAOYSA-N 0 0 454.586 4.954 20 0 JJADRN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049256 1065143193 /nfs/dbraw/zinc/14/31/93/1065143193.db2.gz YBDHBAWMQWGFTB-IMFGXOCKSA-N 0 0 454.396 4.588 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001360307550 1065143095 /nfs/dbraw/zinc/14/30/95/1065143095.db2.gz RMISBLJDYSPAGK-UHFFFAOYSA-N 0 0 455.736 4.998 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360307452 1065143166 /nfs/dbraw/zinc/14/31/66/1065143166.db2.gz PYUHOEYGQXODCW-UHFFFAOYSA-N 0 0 453.539 4.824 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(F)cc1C(F)(F)F ZINC001436048689 1065143209 /nfs/dbraw/zinc/14/32/09/1065143209.db2.gz JYGXRSKYVKODDZ-UHFFFAOYSA-N 0 0 451.247 4.930 20 0 JJADRN CCCCC[C@H](CC)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049371 1065143267 /nfs/dbraw/zinc/14/32/67/1065143267.db2.gz ZVLJFSWEBXZGED-AZUAARDMSA-N 0 0 456.412 4.978 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1NC(=O)C(C)(C)C ZINC001360308512 1065143803 /nfs/dbraw/zinc/14/38/03/1065143803.db2.gz MSNFFXDNQULMBA-INIZCTEOSA-N 0 0 458.356 4.807 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1OC ZINC001360309082 1065144510 /nfs/dbraw/zinc/14/45/10/1065144510.db2.gz XLUCNVVLTLRYRU-ZDUSSCGKSA-N 0 0 451.420 4.847 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001436052417 1065146033 /nfs/dbraw/zinc/14/60/33/1065146033.db2.gz QZMLRVDYUNVYFJ-CJFMBICVSA-N 0 0 452.636 4.536 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(Cl)c1 ZINC001436052827 1065146642 /nfs/dbraw/zinc/14/66/42/1065146642.db2.gz ASSJUENEIAPDTR-QGZVFWFLSA-N 0 0 451.792 4.965 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001436055348 1065148105 /nfs/dbraw/zinc/14/81/05/1065148105.db2.gz IBXYGCAZSLELPV-QFIPXVFZSA-N 0 0 451.910 4.698 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(-c2ccccc2Cl)n1 ZINC001436055662 1065148760 /nfs/dbraw/zinc/14/87/60/1065148760.db2.gz MEMBDZQLQSBHIG-OAHLLOKOSA-N 0 0 459.775 4.512 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)OC)CC1=O ZINC001436056450 1065149197 /nfs/dbraw/zinc/14/91/97/1065149197.db2.gz NSVHYOQCBQBKDC-PZJWPPBQSA-N 0 0 450.579 4.533 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001436057761 1065149883 /nfs/dbraw/zinc/14/98/83/1065149883.db2.gz WWIDIFIVFOJYSM-QGZVFWFLSA-N 0 0 453.302 4.895 20 0 JJADRN C[C@H](CC(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360317223 1065150571 /nfs/dbraw/zinc/15/05/71/1065150571.db2.gz LYRBADSIRIDJOU-SJKOYZFVSA-N 0 0 452.853 4.748 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC001436059849 1065151132 /nfs/dbraw/zinc/15/11/32/1065151132.db2.gz GEFQMYVMXHTYSM-RRFJBIMHSA-N 0 0 450.352 4.729 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cc(Br)n(C)n2)ccc1Cl ZINC001360317798 1065151242 /nfs/dbraw/zinc/15/12/42/1065151242.db2.gz HTWJWKSCEJKTEE-UHFFFAOYSA-N 0 0 458.747 4.795 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2=O)cc1 ZINC001360318190 1065152017 /nfs/dbraw/zinc/15/20/17/1065152017.db2.gz ORWIDYIPQMVUMV-IBGZPJMESA-N 0 0 450.535 4.563 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001436060746 1065152766 /nfs/dbraw/zinc/15/27/66/1065152766.db2.gz RBYAPGFSCDOWIP-DOTOQJQBSA-N 0 0 450.258 4.940 20 0 JJADRN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)C1 ZINC001360318450 1065152728 /nfs/dbraw/zinc/15/27/28/1065152728.db2.gz URHRMHVROSXXSK-KRWDZBQOSA-N 0 0 454.958 4.853 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360319224 1065152863 /nfs/dbraw/zinc/15/28/63/1065152863.db2.gz FKGRDTSAFIZJGF-AHMOOEFLSA-N 0 0 456.631 4.699 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCc2ccsc2)CCOC1 ZINC001360319062 1065152889 /nfs/dbraw/zinc/15/28/89/1065152889.db2.gz CDXRUIGJAWSOKY-MHECFPHRSA-N 0 0 456.612 4.526 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H]2CSCCS2)CCOC1 ZINC001360319461 1065153424 /nfs/dbraw/zinc/15/34/24/1065153424.db2.gz IHOJXZRUGDELTJ-XTQVGHSUSA-N 0 0 480.675 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001360319395 1065153465 /nfs/dbraw/zinc/15/34/65/1065153465.db2.gz HJYPETYGQPITQQ-QMHKHESXSA-N 0 0 490.699 4.775 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)CCc3cccc(OCc4ccccc4)c3)c2)C1=O ZINC001436061916 1065153434 /nfs/dbraw/zinc/15/34/34/1065153434.db2.gz GNRPIEWQLJSQIR-UHFFFAOYSA-N 0 0 457.530 4.672 20 0 JJADRN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001436062073 1065153497 /nfs/dbraw/zinc/15/34/97/1065153497.db2.gz KVHIUGRSMIFXQG-OAHLLOKOSA-N 0 0 453.783 4.765 20 0 JJADRN Cc1c(C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nnn1-c1ccc(F)c(F)c1 ZINC001436062591 1065153557 /nfs/dbraw/zinc/15/35/57/1065153557.db2.gz NJDZWUNKKZLOFY-CYBMUJFWSA-N 0 0 458.465 4.659 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@H]2CSCCS2)CCOC1 ZINC001360319467 1065153991 /nfs/dbraw/zinc/15/39/91/1065153991.db2.gz IJFYKULIIGMLEA-IEGUWTFLSA-N 0 0 480.675 4.504 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CC(C)(C)Oc4ccccc43)c2)C1 ZINC001436063173 1065154195 /nfs/dbraw/zinc/15/41/95/1065154195.db2.gz MMMVNWHREWKPCF-IEGUWTFLSA-N 0 0 457.592 4.812 20 0 JJADRN COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1I ZINC001436065736 1065155837 /nfs/dbraw/zinc/15/58/37/1065155837.db2.gz POKCHNCWYWYXGO-UHFFFAOYSA-N 0 0 451.264 4.590 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[C@H]2CCCCO2)CCOC1 ZINC001360320160 1065155727 /nfs/dbraw/zinc/15/57/27/1065155727.db2.gz SVNGLLNKALWRFE-UMEGOILYSA-N 0 0 460.594 4.614 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CC(F)(F)C2)CCOC1 ZINC001360319968 1065155765 /nfs/dbraw/zinc/15/57/65/1065155765.db2.gz PPMGOEDDOVVUEC-OYHNWAKOSA-N 0 0 470.511 4.840 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360320254 1065156274 /nfs/dbraw/zinc/15/62/74/1065156274.db2.gz VFARZPFTFGIULK-GLYQVZKVSA-N 0 0 462.660 4.519 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001436066824 1065156297 /nfs/dbraw/zinc/15/62/97/1065156297.db2.gz MIANDJSFIVAPOE-XJKSGUPXSA-N 0 0 452.139 4.623 20 0 JJADRN CC(C)n1nc(-c2ccco2)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC001436065750 1065156359 /nfs/dbraw/zinc/15/63/59/1065156359.db2.gz PXPBDALWLCRSPA-UHFFFAOYSA-N 0 0 453.499 4.753 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3(c4ccccc4)CC3)n2CCCC(F)(F)F)CCOC1 ZINC001360320535 1065157377 /nfs/dbraw/zinc/15/73/77/1065157377.db2.gz BSWGIEOZMMUSSY-QHCPKHFHSA-N 0 0 466.548 4.829 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc2c1NC(=O)CO2 ZINC001436066994 1065157368 /nfs/dbraw/zinc/15/73/68/1065157368.db2.gz VLYPNBNRROALGY-UHFFFAOYSA-N 0 0 457.255 4.964 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC001436067657 1065157414 /nfs/dbraw/zinc/15/74/14/1065157414.db2.gz AARDVCKCXKXUFO-UHFFFAOYSA-N 0 0 457.514 4.591 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@H]2CCC[C@@H]2C)CCOC1 ZINC001360320827 1065157837 /nfs/dbraw/zinc/15/78/37/1065157837.db2.gz GHHRHLSOVFMVBN-NVTAWBTOSA-N 0 0 466.548 4.809 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(OC)c(OCC)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001360321003 1065157945 /nfs/dbraw/zinc/15/79/45/1065157945.db2.gz BKNCCQHBIDTEMB-UHFFFAOYSA-N 0 0 450.583 4.855 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001360321339 1065158680 /nfs/dbraw/zinc/15/86/80/1065158680.db2.gz KWSLPCYYHCBSHI-SANMLTNESA-N 0 0 485.579 4.606 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436070098 1065158855 /nfs/dbraw/zinc/15/88/55/1065158855.db2.gz PPGABNMLWWAGCR-KSFYIVLOSA-N 0 0 458.967 4.740 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC001436070630 1065159695 /nfs/dbraw/zinc/15/96/95/1065159695.db2.gz BUCKEOHSRBLKBI-OAQYLSRUSA-N 0 0 455.938 4.820 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2ccccc2OC(F)(F)F)CCOC1 ZINC001360322397 1065159956 /nfs/dbraw/zinc/15/99/56/1065159956.db2.gz WFLMUNVELUAALG-QFIPXVFZSA-N 0 0 470.536 4.748 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2nc(C(C)C)cs2)CCOC1 ZINC001360322449 1065160100 /nfs/dbraw/zinc/16/01/00/1065160100.db2.gz XMKMVJUCILQQAH-QHCPKHFHSA-N 0 0 491.061 4.632 20 0 JJADRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001436071313 1065160150 /nfs/dbraw/zinc/16/01/50/1065160150.db2.gz GUXTWLWPSJRALA-IBGZPJMESA-N 0 0 456.530 4.636 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)Nc3nc(C)c(Cc4c(F)cccc4F)s3)c(C)n2n1 ZINC001436071782 1065160215 /nfs/dbraw/zinc/16/02/15/1065160215.db2.gz BSXJOGIGOLYFLM-UHFFFAOYSA-N 0 0 455.534 4.860 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436071367 1065160259 /nfs/dbraw/zinc/16/02/59/1065160259.db2.gz XDDYTYRAGMHIMH-ZYLNGJIFSA-N 0 0 451.588 4.720 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CCc2ccncc2)CCOC1 ZINC001360323486 1065160642 /nfs/dbraw/zinc/16/06/42/1065160642.db2.gz DWURLOIIYGJOGC-XMMPIXPASA-N 0 0 489.542 4.612 20 0 JJADRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001436072037 1065161032 /nfs/dbraw/zinc/16/10/32/1065161032.db2.gz OROIVPBVQPTSMQ-KNQAVFIVSA-N 0 0 452.448 4.856 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@]2(C)CCCO2)CCOC1 ZINC001360323650 1065161344 /nfs/dbraw/zinc/16/13/44/1065161344.db2.gz GERPWOQLORDJFV-XZOQPEGZSA-N 0 0 482.547 4.543 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@@]2(C)CCCO2)CCOC1 ZINC001360323647 1065161375 /nfs/dbraw/zinc/16/13/75/1065161375.db2.gz GERPWOQLORDJFV-DHIUTWEWSA-N 0 0 482.547 4.543 20 0 JJADRN COc1ccc(C2(CNC(=O)c3sc(Br)nc3C)CCCCC2)cc1OC ZINC001360324057 1065162305 /nfs/dbraw/zinc/16/23/05/1065162305.db2.gz MCUACOHRNCJQKH-UHFFFAOYSA-N 0 0 453.402 4.863 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@]2(C)CCCS2)CCOC1 ZINC001360324146 1065162829 /nfs/dbraw/zinc/16/28/29/1065162829.db2.gz MCVKLNIEHLIMON-XZOQPEGZSA-N 0 0 465.063 4.894 20 0 JJADRN COc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001436074060 1065162950 /nfs/dbraw/zinc/16/29/50/1065162950.db2.gz RDASCOSKFYBCDR-UHFFFAOYSA-N 0 0 456.951 4.661 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@H]2OCCC2(C)C)CCOC1 ZINC001360324347 1065163637 /nfs/dbraw/zinc/16/36/37/1065163637.db2.gz OBMFWZWYPBEDDV-RDPSFJRHSA-N 0 0 496.574 4.789 20 0 JJADRN COc1cccc(-c2cc(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCCC3)on2)c1 ZINC001360324412 1065163666 /nfs/dbraw/zinc/16/36/66/1065163666.db2.gz STRFMAATWBJLNJ-UHFFFAOYSA-N 0 0 450.535 4.999 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H]2OCCC2(C)C)CCOC1 ZINC001360324348 1065163759 /nfs/dbraw/zinc/16/37/59/1065163759.db2.gz OBMFWZWYPBEDDV-YKSBVNFPSA-N 0 0 496.574 4.789 20 0 JJADRN COC[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(Cl)cc1 ZINC001436075431 1065163840 /nfs/dbraw/zinc/16/38/40/1065163840.db2.gz KAWZMMRGSVCBDV-SFHVURJKSA-N 0 0 456.930 4.906 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)o1 ZINC001436075332 1065163863 /nfs/dbraw/zinc/16/38/63/1065163863.db2.gz IYCWESONELCGGE-UHFFFAOYSA-N 0 0 459.395 4.515 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1scc(C)c1Cl ZINC001436074996 1065163881 /nfs/dbraw/zinc/16/38/81/1065163881.db2.gz UXCHMFXSUMLTGV-UHFFFAOYSA-N 0 0 456.132 4.907 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360324517 1065164268 /nfs/dbraw/zinc/16/42/68/1065164268.db2.gz PMFDOMBZZJKDNT-LOSJGSFVSA-N 0 0 477.049 4.550 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360324515 1065164286 /nfs/dbraw/zinc/16/42/86/1065164286.db2.gz PMFDOMBZZJKDNT-JWQCQUIFSA-N 0 0 477.049 4.550 20 0 JJADRN COC[C@H](NC(=O)c1ccc(I)cc1Cl)c1ccc(Cl)cc1 ZINC001436076403 1065164390 /nfs/dbraw/zinc/16/43/90/1065164390.db2.gz UVXIJZGWGMKJDU-HNNXBMFYSA-N 0 0 450.103 4.716 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)CCC2)cc1C ZINC001436076594 1065164413 /nfs/dbraw/zinc/16/44/13/1065164413.db2.gz IJGWXVWKXXUOBH-UHFFFAOYSA-N 0 0 454.636 4.720 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CCC2)cc1C ZINC001436075965 1065164472 /nfs/dbraw/zinc/16/44/72/1065164472.db2.gz CAHHIFSXHDINEC-UHFFFAOYSA-N 0 0 454.636 4.638 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Br)cc3)n2CCOC(C)(C)C)CCOC1 ZINC001360324755 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VRXYULLKNYEAQG-UQBPGWFLSA-N 0 0 460.594 4.552 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC001360326425 1065169276 /nfs/dbraw/zinc/16/92/76/1065169276.db2.gz YYOIDQJFACFBLQ-NRFANRHFSA-N 0 0 488.501 4.867 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccccc2-c2nc[nH]n2)cs1 ZINC001545895415 1065169538 /nfs/dbraw/zinc/16/95/38/1065169538.db2.gz WDRVSGXBNKLUEQ-UHFFFAOYSA-N 0 0 456.325 4.619 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccc(OC2CCCC2)cc1 ZINC001360327667 1065169854 /nfs/dbraw/zinc/16/98/54/1065169854.db2.gz YXNHDDGHAHPPTC-UHFFFAOYSA-N 0 0 459.384 4.549 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)CCCCCC1 ZINC001360327547 1065170027 /nfs/dbraw/zinc/17/00/27/1065170027.db2.gz XLMJCPDYUXJQSE-KRWDZBQOSA-N 0 0 452.542 4.665 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC001436085127 1065170151 /nfs/dbraw/zinc/17/01/51/1065170151.db2.gz DYFNCNFTCNTUQM-UHFFFAOYSA-N 0 0 456.505 4.522 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCN(C)c3ccccc3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360328148 1065170711 /nfs/dbraw/zinc/17/07/11/1065170711.db2.gz AHLOAKPUYKVWMA-DEOSSOPVSA-N 0 0 490.073 4.655 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2CCc2csc(C(C)C)n2)CCOC1 ZINC001360329408 1065171841 /nfs/dbraw/zinc/17/18/41/1065171841.db2.gz XDLQIQNOOAOHER-FQEVSTJZSA-N 0 0 475.581 4.530 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)C2)cc1 ZINC001436088041 1065172171 /nfs/dbraw/zinc/17/21/71/1065172171.db2.gz OGIMTQCAIREWNC-UCNVEGJOSA-N 0 0 455.396 4.767 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001436089610 1065172738 /nfs/dbraw/zinc/17/27/38/1065172738.db2.gz FKUFKGMYOHMTET-UHFFFAOYSA-N 0 0 458.316 4.678 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)COC(=O)N3)c(Br)c1 ZINC001436088573 1065172847 /nfs/dbraw/zinc/17/28/47/1065172847.db2.gz PTCUASSOLQBUID-SFHVURJKSA-N 0 0 459.340 4.641 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)o2)c(Br)c1 ZINC001436089782 1065172893 /nfs/dbraw/zinc/17/28/93/1065172893.db2.gz XKSWJAJZRBZOPL-CQSZACIVSA-N 0 0 457.162 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3ccn(-c4cc(F)cc(F)c4)n3)cc2C1 ZINC001360329829 1065173013 /nfs/dbraw/zinc/17/30/13/1065173013.db2.gz AJKAUDKKQIXMOW-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)OC3CCCC3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001360329694 1065173041 /nfs/dbraw/zinc/17/30/41/1065173041.db2.gz BXRIMMCCTAEQLI-HSZRJFAPSA-N 0 0 466.985 4.664 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360329712 1065173099 /nfs/dbraw/zinc/17/30/99/1065173099.db2.gz CCNZAAKIPSYWSQ-SVBPBHIXSA-N 0 0 488.648 4.814 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc3sccc3c2)CCOC1 ZINC001360330976 1065174392 /nfs/dbraw/zinc/17/43/92/1065174392.db2.gz OULQJOQSLZSGBC-RUZDIDTESA-N 0 0 472.655 4.833 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2ccccc2F)CCOC1 ZINC001360330845 1065174409 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RLDUCUZDEWDOBC-SANMLTNESA-N 0 0 474.621 4.690 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CCOC1 ZINC001360331652 1065176355 /nfs/dbraw/zinc/17/63/55/1065176355.db2.gz XVMWAOJKQSEDSU-LSCGWGKXSA-N 0 0 488.648 4.934 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)c1cccc(Br)c1)c1ccc(Br)cc1C ZINC001436096344 1065176960 /nfs/dbraw/zinc/17/69/60/1065176960.db2.gz QSKLFSGQZACWNX-GFCCVEGCSA-N 0 0 455.146 4.728 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3F)nc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001436095753 1065177042 /nfs/dbraw/zinc/17/70/42/1065177042.db2.gz RROFKUHXXURIHK-UHFFFAOYSA-N 0 0 455.396 4.756 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001360332789 1065177680 /nfs/dbraw/zinc/17/76/80/1065177680.db2.gz BSCDKKISGGRZHR-RMKNXTFCSA-N 0 0 452.337 4.909 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC001360332279 1065177731 /nfs/dbraw/zinc/17/77/31/1065177731.db2.gz QRPYWNKHYJEEHO-WJOKGBTCSA-N 0 0 454.617 4.997 20 0 JJADRN 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CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(F)(F)c2ccccc2)CCOC1 ZINC001360335338 1065181343 /nfs/dbraw/zinc/18/13/43/1065181343.db2.gz CQSCMZWUSGHXDF-DVECYGJZSA-N 0 0 462.585 4.983 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCC(F)(F)C2)CCOC1 ZINC001360335553 1065181984 /nfs/dbraw/zinc/18/19/84/1065181984.db2.gz GGLOVAWNOALPPA-HNAYVOBHSA-N 0 0 466.495 4.533 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360335591 1065182805 /nfs/dbraw/zinc/18/28/05/1065182805.db2.gz GSKYSLSIIYWGRC-IIBYNOLFSA-N 0 0 472.577 4.930 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](c4ccccc4)C3)n2CC(C)(C)C(F)(F)F)CCOC1 ZINC001360335975 1065183500 /nfs/dbraw/zinc/18/35/00/1065183500.db2.gz LPXMKBOHMNRLAL-WMZHIEFXSA-N 0 0 466.548 4.901 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(C)(C)CC3)n2CCc2cc(C(F)(F)F)ccn2)CCOC1 ZINC001360336092 1065184009 /nfs/dbraw/zinc/18/40/09/1065184009.db2.gz NDJDLELMEFBEHI-QHCPKHFHSA-N 0 0 481.563 4.602 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCOc2ccc(Cl)cc2)CCOC1 ZINC001360336075 1065184133 /nfs/dbraw/zinc/18/41/33/1065184133.db2.gz MZPWUVRPRWFHSC-CLOONOSVSA-N 0 0 477.049 4.924 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC001436108994 1065184341 /nfs/dbraw/zinc/18/43/41/1065184341.db2.gz DMKPMYCBDDRLRY-PKTZIBPZSA-N 0 0 457.954 4.807 20 0 JJADRN COc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(OC2CCCC2)c1 ZINC001436108551 1065184399 /nfs/dbraw/zinc/18/43/99/1065184399.db2.gz DMGYAHYLLUDNIV-SANMLTNESA-N 0 0 452.551 4.548 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCOC2CCCCC2)CCOC1 ZINC001360336258 1065184794 /nfs/dbraw/zinc/18/47/94/1065184794.db2.gz PLORFDOGFNBPTC-RLWLMLJZSA-N 0 0 462.679 4.931 20 0 JJADRN C[C@@]1(NC(=O)c2cnc(-c3c(F)cccc3F)s2)CCN(C(=O)OCc2ccccc2)C1 ZINC001436109894 1065184935 /nfs/dbraw/zinc/18/49/35/1065184935.db2.gz KGRMBIUFJJZJAL-HSZRJFAPSA-N 0 0 457.502 4.619 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)COc1ccc2ccccc2c1 ZINC001436109456 1065184942 /nfs/dbraw/zinc/18/49/42/1065184942.db2.gz CFFSZBHDNAEGCO-MRXNPFEDSA-N 0 0 459.327 4.961 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2sc(Cc3ccc(F)cc3)nc2C)sc1C ZINC001436109788 1065184960 /nfs/dbraw/zinc/18/49/60/1065184960.db2.gz JAZJQODOTQGVPR-MRXNPFEDSA-N 0 0 459.568 4.710 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](c4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001360336661 1065185517 /nfs/dbraw/zinc/18/55/17/1065185517.db2.gz VYKVSVYEIDMZIP-SIKLNZKXSA-N 0 0 452.521 4.655 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)c2ccccn2)CCOC1 ZINC001360336516 1065185554 /nfs/dbraw/zinc/18/55/54/1065185554.db2.gz TXOBJAKMCNILFC-SANMLTNESA-N 0 0 455.647 4.564 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2C[C@@](C)(O)c2ccccc2Cl)CCOC1 ZINC001360336804 1065186334 /nfs/dbraw/zinc/18/63/34/1065186334.db2.gz YFCFBTVRPCZBJC-FTJBHMTQSA-N 0 0 491.076 4.752 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc(Cl)c1F 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QSAHTANKFWUGLQ-UHFFFAOYSA-N 0 0 459.011 4.834 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCSc2ccccc2)CCOC1 ZINC001360340966 1065191000 /nfs/dbraw/zinc/19/10/00/1065191000.db2.gz IFJYZFRIWVSPFO-NTKDMRAZSA-N 0 0 480.625 4.983 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCC(C)(C)C3)n2C[C@](C)(O)c2cccc(Cl)c2)CCOC1 ZINC001360341478 1065191054 /nfs/dbraw/zinc/19/10/54/1065191054.db2.gz QLHZXRKFGHMWGM-LOSJGSFVSA-N 0 0 477.049 4.506 20 0 JJADRN Cc1cc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)nn1-c1ccccc1Br ZINC001436116927 1065191109 /nfs/dbraw/zinc/19/11/09/1065191109.db2.gz WKGWDZAUNFEKDP-UHFFFAOYSA-N 0 0 458.331 4.518 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360341590 1065191577 /nfs/dbraw/zinc/19/15/77/1065191577.db2.gz RWWXFFBYLWVZJE-RUZDIDTESA-N 0 0 495.039 4.943 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2c(F)cccc2OC(F)F)CCOC1 ZINC001360341948 1065192386 /nfs/dbraw/zinc/19/23/86/1065192386.db2.gz YRIGEXPWQBQDLQ-CJAUYULYSA-N 0 0 496.574 4.980 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@H]3c3ccccc3)n2CCCNC(=O)OC(C)(C)C)CCOC1 ZINC001360343329 1065192969 /nfs/dbraw/zinc/19/29/69/1065192969.db2.gz JSCMWDUEUFYYMC-CUNXSJBXSA-N 0 0 499.656 4.575 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCC3(C)C)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360344122 1065193677 /nfs/dbraw/zinc/19/36/77/1065193677.db2.gz WOENPTIGFQDDLF-HXUWFJFHSA-N 0 0 458.550 4.826 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCC(C)(C)C3)n2Cc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360343957 1065193747 /nfs/dbraw/zinc/19/37/47/1065193747.db2.gz UPSDANBQFKZKDR-DEOSSOPVSA-N 0 0 461.676 4.747 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)C(=O)OC(C)(C)C ZINC001436121218 1065194214 /nfs/dbraw/zinc/19/42/14/1065194214.db2.gz ZAYCQHKHHWONPZ-UHFFFAOYSA-N 0 0 455.271 4.932 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3cccnc3c2)c1 ZINC001436121217 1065194224 /nfs/dbraw/zinc/19/42/24/1065194224.db2.gz YYTHNGQNTFNOFM-UHFFFAOYSA-N 0 0 452.919 4.933 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C(C)C)c4ccccc43)CC2)cc1 ZINC001436120848 1065194277 /nfs/dbraw/zinc/19/42/77/1065194277.db2.gz RGAGECYCTNFONF-XMMPIXPASA-N 0 0 454.636 4.997 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCOC1 ZINC001360345232 1065194212 /nfs/dbraw/zinc/19/42/12/1065194212.db2.gz DLKACQLDELKBOE-XLGIIRLISA-N 0 0 462.679 4.931 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001360344810 1065194235 /nfs/dbraw/zinc/19/42/35/1065194235.db2.gz PEWLUFAZWCJGKY-CQSZACIVSA-N 0 0 458.839 4.911 20 0 JJADRN C/C(=C/c1ccccn1)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001360344596 1065194255 /nfs/dbraw/zinc/19/42/55/1065194255.db2.gz HYPUVXGMOMOTNH-PEZBUJJGSA-N 0 0 450.336 4.816 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1C ZINC001360344664 1065194296 /nfs/dbraw/zinc/19/42/96/1065194296.db2.gz KTVLLFSCQOVJKW-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001360344809 1065194321 /nfs/dbraw/zinc/19/43/21/1065194321.db2.gz PEWLUFAZWCJGKY-AWEZNQCLSA-N 0 0 458.839 4.911 20 0 JJADRN CC(C)c1c(NC(=O)COc2ccc(N3CCCC3=O)cc2)cnn1-c1ccccc1Cl ZINC001436121150 1065194339 /nfs/dbraw/zinc/19/43/39/1065194339.db2.gz VWNPKMZCXCZBEQ-UHFFFAOYSA-N 0 0 452.942 4.793 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@H]3Cc3cccs3)n2CCC(C)(F)F)CCOC1 ZINC001360345728 1065194988 /nfs/dbraw/zinc/19/49/88/1065194988.db2.gz NBWZBFCRZRKEGO-JTSKRJEESA-N 0 0 454.587 4.637 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@H](C(=O)OC(C)(C)C)C3CC3)C2)n1 ZINC001436121662 1065195059 /nfs/dbraw/zinc/19/50/59/1065195059.db2.gz UARHYLJYAYRUFL-LAUBAEHRSA-N 0 0 456.608 4.893 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccn(CC(F)(F)F)n3)C2)n1 ZINC001436121546 1065195132 /nfs/dbraw/zinc/19/51/32/1065195132.db2.gz RBGQQLZBEQDXQC-AWEZNQCLSA-N 0 0 450.486 4.597 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)C1 ZINC001360346805 1065195141 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/nfs/dbraw/zinc/19/70/56/1065197056.db2.gz WSGIEEVYGGCFGK-RPWUZVMVSA-N 0 0 484.632 4.786 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1 ZINC001436123392 1065197608 /nfs/dbraw/zinc/19/76/08/1065197608.db2.gz HLJTZJXNCQMCQE-UHFFFAOYSA-N 0 0 450.707 4.864 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCCC2(C)C)CCOC1 ZINC001360351028 1065197724 /nfs/dbraw/zinc/19/77/24/1065197724.db2.gz AFPLFYJYNYGENJ-KCESLBEFSA-N 0 0 454.606 4.873 20 0 JJADRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436124240 1065198581 /nfs/dbraw/zinc/19/85/81/1065198581.db2.gz NJIVBJZGCHLOCN-AWEZNQCLSA-N 0 0 457.290 4.994 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC001436125038 1065199277 /nfs/dbraw/zinc/19/92/77/1065199277.db2.gz ISOZGRABXVQYNP-FQEVSTJZSA-N 0 0 454.542 4.591 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCc2cccc(F)c2F)CCOC1 ZINC001360352124 1065200015 /nfs/dbraw/zinc/20/00/15/1065200015.db2.gz KEAOABYHWHZNRN-SAHWJRBASA-N 0 0 484.538 4.567 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCS[C@@H](C)[C@H]3C)n2Cc2cccc(C(C)(F)F)c2)CCOC1 ZINC001360352437 1065200125 /nfs/dbraw/zinc/20/01/25/1065200125.db2.gz QIQGVLVBQRFJGL-NXMSCROESA-N 0 0 480.625 4.809 20 0 JJADRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001436125576 1065200112 /nfs/dbraw/zinc/20/01/12/1065200112.db2.gz RBIGNLANZHSNNQ-OAHLLOKOSA-N 0 0 458.896 4.510 20 0 JJADRN C[C@@H](c1ccc(C(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1)C(F)(F)F ZINC001436125627 1065200132 /nfs/dbraw/zinc/20/01/32/1065200132.db2.gz OJYLMZFJIAQSHW-INIZCTEOSA-N 0 0 456.464 4.811 20 0 JJADRN CCn1ncc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1-c1ccccc1 ZINC001360353425 1065201133 /nfs/dbraw/zinc/20/11/33/1065201133.db2.gz MLRXREVJLUUMKT-UHFFFAOYSA-N 0 0 454.933 4.853 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001436127885 1065201225 /nfs/dbraw/zinc/20/12/25/1065201225.db2.gz DFZIUIMFGALHIZ-QPEQYQDCSA-N 0 0 456.882 4.513 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3F)co2)CC1 ZINC001436128357 1065201323 /nfs/dbraw/zinc/20/13/23/1065201323.db2.gz AHUFVWIAFUUIPT-UHFFFAOYSA-N 0 0 457.889 4.634 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H]2C(C)C)cn1 ZINC001360354055 1065201674 /nfs/dbraw/zinc/20/16/74/1065201674.db2.gz CDNYSRSVKUADIO-IBGZPJMESA-N 0 0 473.419 4.891 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)[C@H]2CCSC2)cn1 ZINC001360354168 1065202184 /nfs/dbraw/zinc/20/21/84/1065202184.db2.gz GKDPUZVCOWOWOC-IBGZPJMESA-N 0 0 488.455 4.880 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001360354191 1065202256 /nfs/dbraw/zinc/20/22/56/1065202256.db2.gz HFIYMKMOZFNRGM-JOCHJYFZSA-N 0 0 451.615 4.903 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@@H]2C)cn1 ZINC001360354222 1065202276 /nfs/dbraw/zinc/20/22/76/1065202276.db2.gz IBPYKHKIWGUQJJ-OALUTQOASA-N 0 0 483.588 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001545895670 1065202472 /nfs/dbraw/zinc/20/24/72/1065202472.db2.gz BQVYLWVRXYTGOP-MHZLTWQESA-N 0 0 480.657 4.738 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)c2ccccc21 ZINC001436130076 1065203227 /nfs/dbraw/zinc/20/32/27/1065203227.db2.gz XIAPZDPFOWSMBO-GOSISDBHSA-N 0 0 453.292 4.553 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1=O ZINC001436130781 1065203654 /nfs/dbraw/zinc/20/36/54/1065203654.db2.gz RYUGWAUKTZKPOW-LBPRGKRZSA-N 0 0 458.383 4.697 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cn1 ZINC001360354598 1065203910 /nfs/dbraw/zinc/20/39/10/1065203910.db2.gz UESQUMSYVIDZLB-UHFFFAOYSA-N 0 0 497.713 4.708 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)nn1-c1ccccc1 ZINC001436130562 1065203857 /nfs/dbraw/zinc/20/38/57/1065203857.db2.gz BYYUZCNOIOYLOB-UHFFFAOYSA-N 0 0 455.234 4.743 20 0 JJADRN CCCC[C@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC001436131897 1065204228 /nfs/dbraw/zinc/20/42/28/1065204228.db2.gz VTOQLHXPRUTGRQ-NRFANRHFSA-N 0 0 452.414 4.829 20 0 JJADRN CO[C@@H]1CCC[C@H](C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)C1 ZINC001436131613 1065204477 /nfs/dbraw/zinc/20/44/77/1065204477.db2.gz KHFOJSQUULVJDW-ILZDJORESA-N 0 0 456.446 4.757 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC001360354792 1065204490 /nfs/dbraw/zinc/20/44/90/1065204490.db2.gz XCBXHCVMKWTNEG-HYHKQLJDSA-N 0 0 455.628 4.567 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC001436132755 1065204684 /nfs/dbraw/zinc/20/46/84/1065204684.db2.gz UOZPHHLRQLXHJK-UHFFFAOYSA-N 0 0 453.336 4.635 20 0 JJADRN CO[C@H](C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1)C1CCCC1 ZINC001436132184 1065204759 /nfs/dbraw/zinc/20/47/59/1065204759.db2.gz PRLPQJZIMGGEMJ-PMACEKPBSA-N 0 0 456.446 4.757 20 0 JJADRN CC(C)CN1C[C@H]2CN(C(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)CCN2C1=O ZINC001436133029 1065205249 /nfs/dbraw/zinc/20/52/49/1065205249.db2.gz RSWKCJIWEXLITA-WLWPJKHPSA-N 0 0 464.437 4.796 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360355847 1065206030 /nfs/dbraw/zinc/20/60/30/1065206030.db2.gz HPKNBUMMBCYIBA-FQEVSTJZSA-N 0 0 480.613 4.554 20 0 JJADRN CCc1c(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001436134754 1065206315 /nfs/dbraw/zinc/20/63/15/1065206315.db2.gz JHAROOHXEVYZMO-GOSISDBHSA-N 0 0 451.489 4.758 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccn2)CC1 ZINC001360356584 1065207141 /nfs/dbraw/zinc/20/71/41/1065207141.db2.gz BQLTZGOEDHUKDL-UHFFFAOYSA-N 0 0 456.543 4.637 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cn1 ZINC001360356509 1065207167 /nfs/dbraw/zinc/20/71/67/1065207167.db2.gz ZPOIDHRIXFLBQB-HXUWFJFHSA-N 0 0 498.672 4.907 20 0 JJADRN CC(C)C[C@](C)(NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(Br)c1 ZINC001436136822 1065207517 /nfs/dbraw/zinc/20/75/17/1065207517.db2.gz GSPAUHXFJLYJGU-DVECYGJZSA-N 0 0 457.412 4.989 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C)[C@@H]2C)cn1 ZINC001360357041 1065207721 /nfs/dbraw/zinc/20/77/21/1065207721.db2.gz DEOWRCWMZQGDCZ-ROUUACIJSA-N 0 0 455.990 4.976 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001360357091 1065207748 /nfs/dbraw/zinc/20/77/48/1065207748.db2.gz NPCGUGDTRZTRRV-WMLDXEAASA-N 0 0 455.530 4.935 20 0 JJADRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC001436137403 1065208067 /nfs/dbraw/zinc/20/80/67/1065208067.db2.gz ZRDUCUYLGYUXDA-UHFFFAOYSA-N 0 0 456.227 4.644 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)[C@H]3CC[C@H]3C(=O)OC(C)(C)C)CC2)n1 ZINC001436137827 1065208651 /nfs/dbraw/zinc/20/86/51/1065208651.db2.gz JSOGUJJPBWIEHI-ZWKOTPCHSA-N 0 0 456.608 4.893 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001360357663 1065208800 /nfs/dbraw/zinc/20/88/00/1065208800.db2.gz VSIDGWWDVBLRMX-XDHUDOTRSA-N 0 0 459.612 4.630 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001360357731 1065209352 /nfs/dbraw/zinc/20/93/52/1065209352.db2.gz WOEBEKOCPWKOTF-AWEZNQCLSA-N 0 0 457.502 4.623 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001360357709 1065209391 /nfs/dbraw/zinc/20/93/91/1065209391.db2.gz NYTZXBDAOPNVCH-HXUWFJFHSA-N 0 0 469.674 4.788 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(F)c(NC(C)=O)c3)CC2)n1 ZINC001436139219 1065209660 /nfs/dbraw/zinc/20/96/60/1065209660.db2.gz VTTKAMLLYRJVBE-UHFFFAOYSA-N 0 0 453.539 4.936 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)cn1 ZINC001360357945 1065209888 /nfs/dbraw/zinc/20/98/88/1065209888.db2.gz RNPFCVMTLOAHRO-JOCHJYFZSA-N 0 0 453.562 4.852 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC001436140441 1065210484 /nfs/dbraw/zinc/21/04/84/1065210484.db2.gz GNKGDDZEWBLPEZ-UHFFFAOYSA-N 0 0 457.914 4.873 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)C[C@@H](C)c2nccs2)cn1 ZINC001360358172 1065210389 /nfs/dbraw/zinc/21/03/89/1065210389.db2.gz ZIJHNWARYOANGE-QGZVFWFLSA-N 0 0 468.652 4.857 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(O)(c4ccccc4Cl)CC3)nnc2C(C)(C)C)cn1 ZINC001360358127 1065210509 /nfs/dbraw/zinc/21/05/09/1065210509.db2.gz XXQZECWRSMBZPJ-UHFFFAOYSA-N 0 0 484.044 4.948 20 0 JJADRN O=C(OCc1cc(Br)c(Cl)c(Br)c1)c1nnc2ccccc2n1 ZINC001436140828 1065210981 /nfs/dbraw/zinc/21/09/81/1065210981.db2.gz KRAKUBFMTPZOMX-UHFFFAOYSA-N 0 0 457.509 4.560 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001436141705 1065211234 /nfs/dbraw/zinc/21/12/34/1065211234.db2.gz ALDICHKMEBPCFA-YXOQKGKWSA-N 0 0 452.570 4.977 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001360359379 1065211320 /nfs/dbraw/zinc/21/13/20/1065211320.db2.gz CEPOKOXZSLVNSL-IBGZPJMESA-N 0 0 453.553 4.709 20 0 JJADRN Cc1ccc(Br)c(OC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)c1F ZINC001436141524 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QIFZBSIOGOMPBA-ZJSXRUAMSA-N 0 0 483.657 4.533 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCCCCn1cc(Br)cn1 ZINC001436147561 1065213704 /nfs/dbraw/zinc/21/37/04/1065213704.db2.gz JVNQNKOZUZLDKN-KTKRTIGZSA-N 0 0 457.372 4.592 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1-c1ccc(F)cc1 ZINC001436147389 1065213844 /nfs/dbraw/zinc/21/38/44/1065213844.db2.gz XHIRIPRXKTZCLR-UHFFFAOYSA-N 0 0 458.316 4.760 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2CC2(O)CCCCCC2)c1 ZINC001360360325 1065213900 /nfs/dbraw/zinc/21/39/00/1065213900.db2.gz SMHASHJMLGBEEV-UHFFFAOYSA-N 0 0 463.626 4.773 20 0 JJADRN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1cccc(OCc2ccccc2)c1 ZINC001436148191 1065214299 /nfs/dbraw/zinc/21/42/99/1065214299.db2.gz NRVUNXPNPDGQQK-QGZVFWFLSA-N 0 0 457.523 4.573 20 0 JJADRN CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2c(cccc2Cl)s1 ZINC001436148967 1065215041 /nfs/dbraw/zinc/21/50/41/1065215041.db2.gz UTNDLYLBHLOBKJ-CQSZACIVSA-N 0 0 452.388 4.781 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360361052 1065215080 /nfs/dbraw/zinc/21/50/80/1065215080.db2.gz CKJFZZRPGZPDOD-YLJYHZDGSA-N 0 0 459.516 4.734 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC001436149896 1065215529 /nfs/dbraw/zinc/21/55/29/1065215529.db2.gz FIQWFISHSDWAHM-VIFPVBQESA-N 0 0 453.173 4.820 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360361299 1065215531 /nfs/dbraw/zinc/21/55/31/1065215531.db2.gz LAUCZGDUQRUPNS-UHFFFAOYSA-N 0 0 457.003 4.865 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360361335 1065215683 /nfs/dbraw/zinc/21/56/83/1065215683.db2.gz MJOKESRDMFCNJH-UHFFFAOYSA-N 0 0 453.631 4.512 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC=C(Br)C1 ZINC001360361589 1065216110 /nfs/dbraw/zinc/21/61/10/1065216110.db2.gz UVTDGCLRIAMDGQ-FQEVSTJZSA-N 0 0 461.404 4.844 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360361739 1065216168 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IWLWUOMYZWGBDQ-FQEVSTJZSA-N 0 0 495.628 4.705 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccon1 ZINC001360362133 1065217848 /nfs/dbraw/zinc/21/78/48/1065217848.db2.gz LICWPIQPONLMLK-IFMALSPDSA-N 0 0 453.587 4.657 20 0 JJADRN COc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(I)c1 ZINC001436153383 1065217879 /nfs/dbraw/zinc/21/78/79/1065217879.db2.gz BNNQRRWHBQOMSG-UHFFFAOYSA-N 0 0 457.136 4.849 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001360362595 1065218163 /nfs/dbraw/zinc/21/81/63/1065218163.db2.gz UEPIMLUKQNBYFH-KRWDZBQOSA-N 0 0 488.430 4.897 20 0 JJADRN CC(C)COc1ccc(OC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC001436153880 1065218224 /nfs/dbraw/zinc/21/82/24/1065218224.db2.gz MSCYQUJULUZPHS-UHFFFAOYSA-N 0 0 459.608 4.824 20 0 JJADRN CC(C)OC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCCC2)CC1 ZINC001360362614 1065218323 /nfs/dbraw/zinc/21/83/23/1065218323.db2.gz UTKIKGPQGLEXSJ-UHFFFAOYSA-N 0 0 474.049 4.836 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC001436153852 1065218459 /nfs/dbraw/zinc/21/84/59/1065218459.db2.gz MJROGCJMPINYIO-SFHVURJKSA-N 0 0 456.414 4.583 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)ccc1OCc1cscn1 ZINC001436155179 1065218612 /nfs/dbraw/zinc/21/86/12/1065218612.db2.gz JIJWBJUHVJJBPG-UHFFFAOYSA-N 0 0 456.539 4.691 20 0 JJADRN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc2c(c(Br)c1)OCO2 ZINC001436155343 1065218871 /nfs/dbraw/zinc/21/88/71/1065218871.db2.gz RIQHOPNSTDCGNS-UHFFFAOYSA-N 0 0 456.680 4.741 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)c1C ZINC001436155109 1065218886 /nfs/dbraw/zinc/21/88/86/1065218886.db2.gz MKQURLYKTRMGOH-UHFFFAOYSA-N 0 0 455.308 4.867 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001360362936 1065218677 /nfs/dbraw/zinc/21/86/77/1065218677.db2.gz ZPQIEBLPFWCPPV-AABGKKOBSA-N 0 0 460.594 4.624 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 ZINC001360362897 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450.134 4.661 20 0 JJADRN COc1ccc(NC(=O)C2(c3ccc(C)c(OC)c3)CCC2)c(I)c1 ZINC001436156793 1065219919 /nfs/dbraw/zinc/21/99/19/1065219919.db2.gz SYRSLORCZUSIEP-UHFFFAOYSA-N 0 0 451.304 4.677 20 0 JJADRN COc1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)c(I)c1 ZINC001436157423 1065219965 /nfs/dbraw/zinc/21/99/65/1065219965.db2.gz XEDQZWILPYXWMK-UHFFFAOYSA-N 0 0 457.695 4.994 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001436158064 1065220309 /nfs/dbraw/zinc/22/03/09/1065220309.db2.gz VYRLBLVOQQALMT-INIZCTEOSA-N 0 0 459.565 4.827 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nccs2)CC1 ZINC001360363994 1065220436 /nfs/dbraw/zinc/22/04/36/1065220436.db2.gz IUKGIDMPYJDVCQ-UHFFFAOYSA-N 0 0 463.554 4.640 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001436158065 1065220509 /nfs/dbraw/zinc/22/05/09/1065220509.db2.gz VYRLBLVOQQALMT-MRXNPFEDSA-N 0 0 459.565 4.827 20 0 JJADRN O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)cn(C2CC2)c1=O ZINC001436158524 1065220888 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20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)C3(OC)CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001436160817 1065222037 /nfs/dbraw/zinc/22/20/37/1065222037.db2.gz SRAAPAUUTDIQDR-UHFFFAOYSA-N 0 0 455.555 4.502 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360364796 1065222019 /nfs/dbraw/zinc/22/20/19/1065222019.db2.gz RPSMKVMOKXWXPK-HXUWFJFHSA-N 0 0 463.022 4.578 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC(=O)N(C)C)CC1 ZINC001360364896 1065222660 /nfs/dbraw/zinc/22/26/60/1065222660.db2.gz UZKZDSYOHYYQDG-UHFFFAOYSA-N 0 0 468.429 4.514 20 0 JJADRN Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001436161942 1065222640 /nfs/dbraw/zinc/22/26/40/1065222640.db2.gz SGZBTXBFCOTDPV-HSZRJFAPSA-N 0 0 459.550 4.737 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1C[C@H](OC)C(C)(C)C ZINC001545895827 1065222650 /nfs/dbraw/zinc/22/26/50/1065222650.db2.gz GKFYLRFOTJQJLY-ICSRJNTNSA-N 0 0 490.718 4.715 20 0 JJADRN COc1ccc(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1-c1ccccc1 ZINC001436161227 1065222773 /nfs/dbraw/zinc/22/27/73/1065222773.db2.gz WTOWIGBNXABVHX-UHFFFAOYSA-N 0 0 452.576 4.668 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccccc2F)CC1 ZINC001360365072 1065223310 /nfs/dbraw/zinc/22/33/10/1065223310.db2.gz XTSVSCDJKCRGRN-KRWDZBQOSA-N 0 0 473.980 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1C[C@@H](OC)C(C)(C)C ZINC001545895829 1065223302 /nfs/dbraw/zinc/22/33/02/1065223302.db2.gz GKFYLRFOTJQJLY-UYAOXDASSA-N 0 0 490.718 4.715 20 0 JJADRN O=C(O[C@@H]1CCOc2c(F)cc(F)cc21)c1ccc(Cl)c(I)c1 ZINC001436162963 1065223362 /nfs/dbraw/zinc/22/33/62/1065223362.db2.gz FCHPRLFYTMASFL-CQSZACIVSA-N 0 0 450.606 4.903 20 0 JJADRN Cc1cc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)cc(C)c1OCC(=O)N1CCCCC1 ZINC001436163110 1065223382 /nfs/dbraw/zinc/22/33/82/1065223382.db2.gz GWUYLOMRHJGGQT-OAQYLSRUSA-N 0 0 459.489 4.654 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360365030 1065223440 /nfs/dbraw/zinc/22/34/40/1065223440.db2.gz XECDHCOZEGRSQT-QFIPXVFZSA-N 0 0 463.420 4.671 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3Cl)CC2)c1C ZINC001436164017 1065223792 /nfs/dbraw/zinc/22/37/92/1065223792.db2.gz FOACMXILGQXOPU-UHFFFAOYSA-N 0 0 452.979 4.752 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001436165193 1065224288 /nfs/dbraw/zinc/22/42/88/1065224288.db2.gz OIHDTJNNNJCTLE-JOCHJYFZSA-N 0 0 454.567 4.504 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC001436165458 1065224814 /nfs/dbraw/zinc/22/48/14/1065224814.db2.gz CQGZHZAGANPVRI-YZVOILCLSA-N 0 0 451.995 4.698 20 0 JJADRN CC(C)OC1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360366476 1065224994 /nfs/dbraw/zinc/22/49/94/1065224994.db2.gz CURRHCAUQCWRSZ-MHZLTWQESA-N 0 0 454.659 4.788 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360367382 1065226038 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CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCc2ccsc2)CCO1 ZINC001360370863 1065230433 /nfs/dbraw/zinc/23/04/33/1065230433.db2.gz UAAKFJMMZRZRNN-INIZCTEOSA-N 0 0 497.484 4.704 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccccn2)CCO1 ZINC001360370883 1065230525 /nfs/dbraw/zinc/23/05/25/1065230525.db2.gz ULMXPHSZFLQGHZ-DEOSSOPVSA-N 0 0 463.626 4.511 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)OCc2cncc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001436177140 1065230852 /nfs/dbraw/zinc/23/08/52/1065230852.db2.gz VCUQXCRDWLYNGC-KXBFYZLASA-N 0 0 458.839 4.934 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)CCCS2)CCO1 ZINC001360371069 1065231004 /nfs/dbraw/zinc/23/10/04/1065231004.db2.gz XUVDEUIGVCHHTR-VGOFRKELSA-N 0 0 495.487 4.624 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CSCc1ccc(Br)cc1 ZINC001360372098 1065231667 /nfs/dbraw/zinc/23/16/67/1065231667.db2.gz IFBUDJDTVBQBEO-FQEVSTJZSA-N 0 0 459.450 4.738 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccccc2N2CCCCC2)CCO1 ZINC001360372968 1065231679 /nfs/dbraw/zinc/23/16/79/1065231679.db2.gz PXVIONQZEORHDM-QHCPKHFHSA-N 0 0 469.674 4.536 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360373683 1065231962 /nfs/dbraw/zinc/23/19/62/1065231962.db2.gz CCBPTUCMBFWHHA-HNAYVOBHSA-N 0 0 455.498 4.790 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(C3CCCC3)n2CCc2nc(C(C)(C)C)cs2)CCO1 ZINC001360373279 1065232222 /nfs/dbraw/zinc/23/22/22/1065232222.db2.gz RURCNQHTWXNMCA-IBGZPJMESA-N 0 0 461.676 4.563 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CCO1 ZINC001360374446 1065232794 /nfs/dbraw/zinc/23/27/94/1065232794.db2.gz ADTYGIGSKAKVDL-NHCUHLMSSA-N 0 0 495.089 4.813 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCC2(C)C)CCO1 ZINC001360374452 1065232840 /nfs/dbraw/zinc/23/28/40/1065232840.db2.gz AFTBNLIXTVMUOF-DXBBTUNJSA-N 0 0 462.679 4.653 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N[C@H]1CCCN(c3c(C)cc(Br)cc3C)C1)CC2 ZINC001436181525 1065233124 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WDYNHJQQJLEKSF-OAQYLSRUSA-N 0 0 472.630 4.678 20 0 JJADRN COC1(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)CCC(F)(F)CC1 ZINC001436183193 1065234999 /nfs/dbraw/zinc/23/49/99/1065234999.db2.gz RIGTVADPHVOHOC-KRWDZBQOSA-N 0 0 459.375 4.745 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001436183404 1065235033 /nfs/dbraw/zinc/23/50/33/1065235033.db2.gz UOJHOHBKFSVPRF-NZSAHSFTSA-N 0 0 456.505 4.985 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 ZINC001436183175 1065235079 /nfs/dbraw/zinc/23/50/79/1065235079.db2.gz QWWUXGOMAUGOOI-FQEVSTJZSA-N 0 0 458.400 4.813 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC001360376554 1065235610 /nfs/dbraw/zinc/23/56/10/1065235610.db2.gz HDOSXGSMVHNGNT-UHFFFAOYSA-N 0 0 465.063 4.906 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC001436184086 1065235691 /nfs/dbraw/zinc/23/56/91/1065235691.db2.gz YBIFCDMWSBWETI-FPOVZHCZSA-N 0 0 456.384 4.669 20 0 JJADRN CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001360376748 1065236274 /nfs/dbraw/zinc/23/62/74/1065236274.db2.gz NDSCKYDQRRTUAP-IRLDBZIGSA-N 0 0 462.598 4.513 20 0 JJADRN CC(C)OCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360377151 1065238024 /nfs/dbraw/zinc/23/80/24/1065238024.db2.gz YVJBUPQCKIIHTK-RTBURBONSA-N 0 0 462.038 4.549 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360377184 1065238224 /nfs/dbraw/zinc/23/82/24/1065238224.db2.gz ZXAMGIQHYYNEGJ-UHFFFAOYSA-N 0 0 455.647 4.540 20 0 JJADRN NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 ZINC001360378325 1065238656 /nfs/dbraw/zinc/23/86/56/1065238656.db2.gz MZEVQQCZHBWOHG-UHFFFAOYSA-N 0 0 450.857 4.808 20 0 JJADRN CC(C)OCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360379042 1065239054 /nfs/dbraw/zinc/23/90/54/1065239054.db2.gz JOGRVICBRSUHLR-INIZCTEOSA-N 0 0 495.575 4.800 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001436188866 1065239232 /nfs/dbraw/zinc/23/92/32/1065239232.db2.gz ABWAHSYNRJJFIQ-MRXNPFEDSA-N 0 0 452.507 4.641 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001360379027 1065239177 /nfs/dbraw/zinc/23/91/77/1065239177.db2.gz JADFNSPQQAGVLP-JOCHJYFZSA-N 0 0 455.990 4.777 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360379070 1065239712 /nfs/dbraw/zinc/23/97/12/1065239712.db2.gz KGRZBFMGADVFFA-KRWDZBQOSA-N 0 0 465.436 4.917 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001360379061 1065239728 /nfs/dbraw/zinc/23/97/28/1065239728.db2.gz KALODZDNXSTSQT-UHFFFAOYSA-N 0 0 471.552 4.871 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360379279 1065239788 /nfs/dbraw/zinc/23/97/88/1065239788.db2.gz RHJNFJFCPCWJTA-HDICACEKSA-N 0 0 464.557 4.649 20 0 JJADRN CCc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c2c(CC(C)(C)C)noc2n1 ZINC001436189976 1065239796 /nfs/dbraw/zinc/23/97/96/1065239796.db2.gz NCQYKZWLUPRRHK-GOSISDBHSA-N 0 0 456.587 4.601 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360379427 1065240371 /nfs/dbraw/zinc/24/03/71/1065240371.db2.gz WLOOWEMXGXFYBU-FQEVSTJZSA-N 0 0 486.661 4.675 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001360380008 1065241556 /nfs/dbraw/zinc/24/15/56/1065241556.db2.gz KFOBZMCVRPKWPA-HXUWFJFHSA-N 0 0 477.447 4.703 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001436192433 1065241808 /nfs/dbraw/zinc/24/18/08/1065241808.db2.gz QRHVYCYLNONAEX-ZDUSSCGKSA-N 0 0 457.518 4.890 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cccc(Br)c2Cl)C1 ZINC001436191952 1065242043 /nfs/dbraw/zinc/24/20/43/1065242043.db2.gz VWHNIVQWRCNDAV-HUUCEWRRSA-N 0 0 457.796 4.966 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001360380433 1065242019 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20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(I)cn3)sc2C1 ZINC001436195814 1065243635 /nfs/dbraw/zinc/24/36/35/1065243635.db2.gz WUDXEZPNXWBXPZ-NSHDSACASA-N 0 0 455.365 4.936 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360382328 1065243709 /nfs/dbraw/zinc/24/37/09/1065243709.db2.gz MXTHZVNRXMWUOH-QFBILLFUSA-N 0 0 474.955 4.884 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1 ZINC001436196750 1065244066 /nfs/dbraw/zinc/24/40/66/1065244066.db2.gz YJSYHPRKVZINED-NRFANRHFSA-N 0 0 459.587 4.580 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360382499 1065244174 /nfs/dbraw/zinc/24/41/74/1065244174.db2.gz RZLDMXYZVAWJBJ-NRFANRHFSA-N 0 0 474.593 4.665 20 0 JJADRN CC(C)OCCCCn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360382922 1065245205 /nfs/dbraw/zinc/24/52/05/1065245205.db2.gz FXHNEUQVEIPDME-QFQXNSOFSA-N 0 0 456.631 4.648 20 0 JJADRN CC(C)OCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360383182 1065245276 /nfs/dbraw/zinc/24/52/76/1065245276.db2.gz MEOLPBBVBLMJMW-PGRDOPGGSA-N 0 0 458.534 4.543 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360383170 1065245364 /nfs/dbraw/zinc/24/53/64/1065245364.db2.gz LXVMBRMTYCVHNC-RBBKRZOGSA-N 0 0 458.578 4.573 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001360383626 1065246298 /nfs/dbraw/zinc/24/62/98/1065246298.db2.gz ZMPBZYZJSQVMSV-AEFFLSMTSA-N 0 0 450.425 4.630 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cn3c(C)nc4cc(F)c(F)cc43)s2)cc1 ZINC001360383850 1065246800 /nfs/dbraw/zinc/24/68/00/1065246800.db2.gz GMDDYXIROVFHJW-LBPRGKRZSA-N 0 0 456.518 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccn(Cc3ccccc3)n2)CC[C@H]2CCCC[C@@H]21 ZINC001436200989 1065247271 /nfs/dbraw/zinc/24/72/71/1065247271.db2.gz POHPWPKQXXRMJX-PUHATCMVSA-N 0 0 452.599 4.506 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360385248 1065248169 /nfs/dbraw/zinc/24/81/69/1065248169.db2.gz ATHXTCYWTPHRAY-INIZCTEOSA-N 0 0 471.465 4.836 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 ZINC001436202388 1065248346 /nfs/dbraw/zinc/24/83/46/1065248346.db2.gz BAPKABJKXCVSQC-OAHLLOKOSA-N 0 0 455.498 4.678 20 0 JJADRN COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](C)C3)cc2c1OCCO2 ZINC001436202969 1065249037 /nfs/dbraw/zinc/24/90/37/1065249037.db2.gz UKWFGMPDWCNGOG-ZDUSSCGKSA-N 0 0 459.564 4.860 20 0 JJADRN CC(C)OCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Br)s1 ZINC001360385836 1065249628 /nfs/dbraw/zinc/24/96/28/1065249628.db2.gz LGFOCIVGQMESHN-UHFFFAOYSA-N 0 0 493.427 4.949 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001360385922 1065249665 /nfs/dbraw/zinc/24/96/65/1065249665.db2.gz MSEXGOPTEDEFBY-UHFFFAOYSA-N 0 0 462.381 4.730 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001360386041 1065249682 /nfs/dbraw/zinc/24/96/82/1065249682.db2.gz PDAKCFJGSDPCAS-NRFANRHFSA-N 0 0 455.006 4.890 20 0 JJADRN C[C@@]1(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC1(Br)Br ZINC001436204753 1065249968 /nfs/dbraw/zinc/24/99/68/1065249968.db2.gz ONDFHDHWAACWEK-HOCLYGCPSA-N 0 0 451.149 4.971 20 0 JJADRN O=C(Nc1cccc2nonc21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001436204523 1065249990 /nfs/dbraw/zinc/24/99/90/1065249990.db2.gz HVSGVLVSLVKWBX-UHFFFAOYSA-N 0 0 458.734 4.666 20 0 JJADRN CC[C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)c1ccccc1 ZINC001436205313 1065250004 /nfs/dbraw/zinc/25/00/04/1065250004.db2.gz KRRTZCRCGADPCN-VFNWGFHPSA-N 0 0 457.368 4.715 20 0 JJADRN O=C(NCC1(c2ccc(Br)s2)CCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC001436204763 1065250086 /nfs/dbraw/zinc/25/00/86/1065250086.db2.gz RACHPBQZOVNCKI-UHFFFAOYSA-N 0 0 452.389 4.936 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CCCO)CC1 ZINC001360386097 1065250080 /nfs/dbraw/zinc/25/00/80/1065250080.db2.gz QIRONQOVAZEPKP-UHFFFAOYSA-N 0 0 483.426 4.651 20 0 JJADRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1nc(Br)ccc1F ZINC001436205685 1065250429 /nfs/dbraw/zinc/25/04/29/1065250429.db2.gz MZOOZYIWTMNQDP-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001360386647 1065251021 /nfs/dbraw/zinc/25/10/21/1065251021.db2.gz KIVMKIINUOQCNL-KDURUIRLSA-N 0 0 490.048 4.717 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001436206704 1065251139 /nfs/dbraw/zinc/25/11/39/1065251139.db2.gz VLVJGHWABYDRSS-DRSNIGMVSA-N 0 0 469.379 4.715 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CCC2)C1 ZINC001360386945 1065251349 /nfs/dbraw/zinc/25/13/49/1065251349.db2.gz USKSSSWDRSIBAU-UHFFFAOYSA-N 0 0 463.420 4.530 20 0 JJADRN CCCc1c(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)nnn1-c1cccc(Cl)c1 ZINC001436207496 1065251498 /nfs/dbraw/zinc/25/14/98/1065251498.db2.gz ICFPKQKPBZEVCG-UHFFFAOYSA-N 0 0 452.729 4.531 20 0 JJADRN NC(=O)c1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(Cl)cc1Cl ZINC001436208382 1065251523 /nfs/dbraw/zinc/25/15/23/1065251523.db2.gz ZNFCXCIPVWBTMU-UHFFFAOYSA-N 0 0 458.330 4.654 20 0 JJADRN O=C(N1CCN(c2cccc(Br)c2)CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001436208612 1065251943 /nfs/dbraw/zinc/25/19/43/1065251943.db2.gz GOBHFMKHFPUXPQ-UHFFFAOYSA-N 0 0 453.302 4.848 20 0 JJADRN O=C(CN1Cc2ccccc2OC1=O)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001436208719 1065252005 /nfs/dbraw/zinc/25/20/05/1065252005.db2.gz BICWISBMGZATEX-GOSISDBHSA-N 0 0 452.725 4.710 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC001436208658 1065252080 /nfs/dbraw/zinc/25/20/80/1065252080.db2.gz ATRCKHCLRSHGHW-UHFFFAOYSA-N 0 0 459.951 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1OC(F)(F)F ZINC001436209081 1065252244 /nfs/dbraw/zinc/25/22/44/1065252244.db2.gz MDWBOBMUPOUDNA-SFHVURJKSA-N 0 0 450.457 4.850 20 0 JJADRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C1 ZINC001360387826 1065252605 /nfs/dbraw/zinc/25/26/05/1065252605.db2.gz MFENCTODDFRADM-DENIHFKCSA-N 0 0 450.970 4.570 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001436209767 1065253008 /nfs/dbraw/zinc/25/30/08/1065253008.db2.gz DSSQBNGQMYJKHT-SQNIBIBYSA-N 0 0 452.295 4.695 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)C3(c4cccc(Br)c4)CCCC3)cc21 ZINC001360388553 1065253122 /nfs/dbraw/zinc/25/31/22/1065253122.db2.gz RNQFJNXQTALPDG-UHFFFAOYSA-N 0 0 454.368 4.600 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc2c1OCCO2 ZINC001436210326 1065253121 /nfs/dbraw/zinc/25/31/21/1065253121.db2.gz QIJKTDIGMZLHCO-SFHVURJKSA-N 0 0 455.725 4.789 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001436210848 1065253657 /nfs/dbraw/zinc/25/36/57/1065253657.db2.gz ZSAMBRPTCQDQFD-YADARESESA-N 0 0 452.595 4.915 20 0 JJADRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2cc(-c3ccc(Br)cc3)ns2)c1 ZINC001436210869 1065253833 /nfs/dbraw/zinc/25/38/33/1065253833.db2.gz WWVZQZAEZKWMRK-UHFFFAOYSA-N 0 0 454.353 4.846 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001360390126 1065254380 /nfs/dbraw/zinc/25/43/80/1065254380.db2.gz FJDUJLWCQQRJRR-BDTNDASRSA-N 0 0 475.678 4.977 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001360390114 1065254409 /nfs/dbraw/zinc/25/44/09/1065254409.db2.gz FAZDMFGGQBLVGW-NLFFAJNJSA-N 0 0 493.718 4.541 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc4cc(Br)cnc43)C2)cc1 ZINC001436210924 1065254433 /nfs/dbraw/zinc/25/44/33/1065254433.db2.gz NQPYMXBZLFNANA-SFHVURJKSA-N 0 0 452.352 4.797 20 0 JJADRN CC(C)OCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360390026 1065254418 /nfs/dbraw/zinc/25/44/18/1065254418.db2.gz CJHADBUZEHOBRC-IBGZPJMESA-N 0 0 491.386 4.598 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N(CCn1ccnc1)C1CCSCC1 ZINC001436212207 1065254833 /nfs/dbraw/zinc/25/48/33/1065254833.db2.gz BLNWSHGPUBAKBT-UHFFFAOYSA-N 0 0 450.427 4.898 20 0 JJADRN CC(C)OCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360390615 1065255174 /nfs/dbraw/zinc/25/51/74/1065255174.db2.gz OTNQMDMWMXYUTE-TZIWHRDSSA-N 0 0 489.636 4.563 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)CSCC3)[C@H]1c1ccc(OC)cc1 ZINC001436213223 1065255359 /nfs/dbraw/zinc/25/53/59/1065255359.db2.gz HXWREOJGRALWQA-DYESRHJHSA-N 0 0 459.637 4.660 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)cc1 ZINC001360392177 1065255855 /nfs/dbraw/zinc/25/58/55/1065255855.db2.gz JYVRQZQBVBCCEN-QHCPKHFHSA-N 0 0 451.592 4.732 20 0 JJADRN CC(C)C[C@H](C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC001436214634 1065256555 /nfs/dbraw/zinc/25/65/55/1065256555.db2.gz MOEDBAJYMFRZDA-RPWUZVMVSA-N 0 0 454.998 4.995 20 0 JJADRN CC[C@](NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001436214137 1065256651 /nfs/dbraw/zinc/25/66/51/1065256651.db2.gz QQIXPPGNJCSVLW-HXUWFJFHSA-N 0 0 456.848 4.526 20 0 JJADRN CC(C)OCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001360393521 1065256971 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491.677 4.830 20 0 JJADRN CC(C)SCCn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360416490 1065278438 /nfs/dbraw/zinc/27/84/38/1065278438.db2.gz ARYCCHFYUUXPIJ-UHFFFAOYSA-N 0 0 456.019 4.658 20 0 JJADRN CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360416569 1065278940 /nfs/dbraw/zinc/27/89/40/1065278940.db2.gz DLUDIWWBWNFIFW-SFHVURJKSA-N 0 0 464.079 4.729 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)c1 ZINC001436261675 1065279192 /nfs/dbraw/zinc/27/91/92/1065279192.db2.gz DBFMNXPVGKJIDN-UHFFFAOYSA-N 0 0 457.596 4.957 20 0 JJADRN CN1CCN(c2ncc(Br)cc2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC001436263883 1065280043 /nfs/dbraw/zinc/28/00/43/1065280043.db2.gz JGSAHLWUILFHQF-JXMROGBWSA-N 0 0 457.416 4.545 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CCOC(C)(C)C ZINC001545896528 1065280108 /nfs/dbraw/zinc/28/01/08/1065280108.db2.gz UXGHESZXSPMZJT-FQEVSTJZSA-N 0 0 480.657 4.877 20 0 JJADRN CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001360417003 1065280361 /nfs/dbraw/zinc/28/03/61/1065280361.db2.gz PEPWSUHKOQOAAN-HXUWFJFHSA-N 0 0 469.699 4.879 20 0 JJADRN CC(C)SCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360416988 1065280402 /nfs/dbraw/zinc/28/04/02/1065280402.db2.gz PAVNJCNNHVIIAT-UHFFFAOYSA-N 0 0 454.518 4.557 20 0 JJADRN CC(C)SCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360416819 1065280409 /nfs/dbraw/zinc/28/04/09/1065280409.db2.gz MBQREZDXNAQGOC-UHFFFAOYSA-N 0 0 495.487 4.971 20 0 JJADRN CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnccn2)CC1 ZINC001360416782 1065280428 /nfs/dbraw/zinc/28/04/28/1065280428.db2.gz LOBIAAIMXITFNH-UHFFFAOYSA-N 0 0 465.671 4.501 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001360416867 1065280458 /nfs/dbraw/zinc/28/04/58/1065280458.db2.gz BPXZGVSSPFTTCV-SEYXRHQNSA-N 0 0 453.583 4.895 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccccc2)CC1 ZINC001360416789 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C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccccn2)n1CCC(=O)NC1CCCCC1 ZINC001360434026 1065314018 /nfs/dbraw/zinc/31/40/18/1065314018.db2.gz ZXRHBSVQXOBSQJ-QGZVFWFLSA-N 0 0 468.552 4.655 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360433971 1065314051 /nfs/dbraw/zinc/31/40/51/1065314051.db2.gz ZFVNNIYGNDFQJK-HOCLYGCPSA-N 0 0 476.597 4.845 20 0 JJADRN Cc1ccc(F)c(Br)c1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001436423868 1065314560 /nfs/dbraw/zinc/31/45/60/1065314560.db2.gz FXORPYPZAHABAH-UHFFFAOYSA-N 0 0 452.301 4.716 20 0 JJADRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001436424256 1065314680 /nfs/dbraw/zinc/31/46/80/1065314680.db2.gz HQEBCZVSZWKCAF-FQEVSTJZSA-N 0 0 451.880 4.722 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Oc3ccc(/C=C/c4cccc(OC)c4)cc3)CC2=O)cc1 ZINC001436424829 1065315099 /nfs/dbraw/zinc/31/50/99/1065315099.db2.gz CAWWNJHTHNTGBP-BMOUEYTDSA-N 0 0 457.526 4.828 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc(Cl)cc(Br)c1 ZINC001360435413 1065315222 /nfs/dbraw/zinc/31/52/22/1065315222.db2.gz DKCGBGSWDCLIDV-GOSISDBHSA-N 0 0 458.183 4.559 20 0 JJADRN COCc1c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)sc2cccc(F)c21 ZINC001436425641 1065315288 /nfs/dbraw/zinc/31/52/88/1065315288.db2.gz CTSIFYNBNSKTMR-LIRRHRJNSA-N 0 0 458.530 4.808 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3s2)C1=O ZINC001436427763 1065315771 /nfs/dbraw/zinc/31/57/71/1065315771.db2.gz LKDJIZBDIJZRRG-KBXCAEBGSA-N 0 0 459.974 4.890 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)C2(CCCOCc3ccccc3)CC2)C1=O ZINC001436428804 1065316633 /nfs/dbraw/zinc/31/66/33/1065316633.db2.gz QBQPHMSXUYQWAA-GBXCKJPGSA-N 0 0 452.570 4.771 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001360436443 1065316528 /nfs/dbraw/zinc/31/65/28/1065316528.db2.gz UTLMORPGMBUZPO-DQEYMECFSA-N 0 0 457.014 4.778 20 0 JJADRN C/C(=C\C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001360436089 1065316618 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JVZNWJFBUOYMCU-UHFFFAOYSA-N 0 0 459.574 4.541 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001436444949 1065320991 /nfs/dbraw/zinc/32/09/91/1065320991.db2.gz HFIHRCSNISCUGF-LLVKDONJSA-N 0 0 459.686 4.722 20 0 JJADRN O=C(NC/C=C/c1ccc(Br)cc1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001436446508 1065321006 /nfs/dbraw/zinc/32/10/06/1065321006.db2.gz IUQXIBLUYWUAIA-MNSDHWDNSA-N 0 0 466.173 4.514 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CCOc1ncccc1Cl ZINC001360439822 1065322465 /nfs/dbraw/zinc/32/24/65/1065322465.db2.gz MKRWYEDTMKQNKH-KNTRGWTASA-N 0 0 474.030 4.608 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360440195 1065322934 /nfs/dbraw/zinc/32/29/34/1065322934.db2.gz OLKRIQINIUOFLW-BAJJSZBSSA-N 0 0 463.529 4.552 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 ZINC001360440182 1065322964 /nfs/dbraw/zinc/32/29/64/1065322964.db2.gz OHKKVMHEUIWZIT-LHEBDHONSA-N 0 0 455.971 4.570 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001360440378 1065323642 /nfs/dbraw/zinc/32/36/42/1065323642.db2.gz RBQQWUJGDXTEGM-IBADJEFMSA-N 0 0 483.585 4.570 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc(NC(=O)C2CC2)s1 ZINC001436461109 1065323608 /nfs/dbraw/zinc/32/36/08/1065323608.db2.gz FSWISIJWRAEQER-UHFFFAOYSA-N 0 0 453.789 4.974 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001436461439 1065323805 /nfs/dbraw/zinc/32/38/05/1065323805.db2.gz HCCDFGWZRBIUFU-OAQYLSRUSA-N 0 0 456.539 4.604 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001360440463 1065324224 /nfs/dbraw/zinc/32/42/24/1065324224.db2.gz SBPFNAVWWCFKQK-NPXQLOECSA-N 0 0 458.672 4.716 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1CCCC1CCCC1 ZINC001360440446 1065324401 /nfs/dbraw/zinc/32/44/01/1065324401.db2.gz RVGGXSDZIDUUJT-HYHKQLJDSA-N 0 0 452.628 4.640 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1CCCC1CCCC1 ZINC001360440445 1065324416 /nfs/dbraw/zinc/32/44/16/1065324416.db2.gz RVGGXSDZIDUUJT-CVCYQNGTSA-N 0 0 452.628 4.640 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F ZINC001360441219 1065325528 /nfs/dbraw/zinc/32/55/28/1065325528.db2.gz AKRNLCPYFXKQCZ-AESQFQPQSA-N 0 0 479.572 4.787 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC(C)(F)F ZINC001360441439 1065325625 /nfs/dbraw/zinc/32/56/25/1065325625.db2.gz CQZUAQPQDZIVNF-INCQDFKNSA-N 0 0 452.596 4.911 20 0 JJADRN COCCc1ccc(OCCCC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001436466434 1065325607 /nfs/dbraw/zinc/32/56/07/1065325607.db2.gz INZVHKHDIQPZCN-UHFFFAOYSA-N 0 0 458.356 4.621 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCc1cccs1 ZINC001360441869 1065326424 /nfs/dbraw/zinc/32/64/24/1065326424.db2.gz HGQYHAMFEMYEQZ-CVCYQNGTSA-N 0 0 465.648 4.503 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N(C)c3cc(OC)c(OC)c(OC)c3)CC2(Cl)Cl)cc1 ZINC001360441905 1065327074 /nfs/dbraw/zinc/32/70/74/1065327074.db2.gz WVCHLKPZIYIMSW-NRFANRHFSA-N 0 0 454.350 4.590 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001436469199 1065326989 /nfs/dbraw/zinc/32/69/89/1065326989.db2.gz SSYBTAQSPSPBHW-HXUWFJFHSA-N 0 0 457.983 4.558 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001436470965 1065327189 /nfs/dbraw/zinc/32/71/89/1065327189.db2.gz HKBOSYDNVXQSCP-IERDGZPVSA-N 0 0 451.473 4.634 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F ZINC001360442327 1065327438 /nfs/dbraw/zinc/32/74/38/1065327438.db2.gz METVARKHRUMEOO-BPZSMGFPSA-N 0 0 466.598 4.542 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F ZINC001360442326 1065327466 /nfs/dbraw/zinc/32/74/66/1065327466.db2.gz MCXDNWHMRQYIJY-SOJZJXOSSA-N 0 0 480.625 4.932 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436472162 1065327685 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YSOHRDHWTWYEIC-LSDHHAIUSA-N 0 0 476.444 4.702 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C ZINC001360445567 1065333808 /nfs/dbraw/zinc/33/38/08/1065333808.db2.gz FKXBLQBFEBXWGC-GHTZIAJQSA-N 0 0 473.618 4.728 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C(C)(C)C)no1 ZINC001360445844 1065334468 /nfs/dbraw/zinc/33/44/68/1065334468.db2.gz KEAKECUFVSPHJQ-MRXNPFEDSA-N 0 0 494.621 4.506 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360445949 1065335042 /nfs/dbraw/zinc/33/50/42/1065335042.db2.gz LUNUQYLPMZVSIV-DZGCQCFKSA-N 0 0 498.937 4.529 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)nc1 ZINC001360446119 1065335517 /nfs/dbraw/zinc/33/55/17/1065335517.db2.gz PEJLPEMKYVNOGI-IHLLOCCUSA-N 0 0 478.641 4.609 20 0 JJADRN O=C(OCc1cc(Br)cnc1Cl)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001436497750 1065335743 /nfs/dbraw/zinc/33/57/43/1065335743.db2.gz DRHGRSCNZMMVKF-TZMCWYRMSA-N 0 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C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCOC2=O)cc1 ZINC001436507655 1065337608 /nfs/dbraw/zinc/33/76/08/1065337608.db2.gz BXAJLMMVJXGHDF-KBXCAEBGSA-N 0 0 459.340 4.539 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC1CC2(C1)CCOCC2 ZINC001360448031 1065338003 /nfs/dbraw/zinc/33/80/03/1065338003.db2.gz ITEQUVYLMNYTQL-NRFANRHFSA-N 0 0 481.685 4.729 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cc3ccccc3s2)c1 ZINC001436512842 1065338741 /nfs/dbraw/zinc/33/87/41/1065338741.db2.gz YXOVGTSLBWEUOI-UHFFFAOYSA-N 0 0 451.013 4.556 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC001436512945 1065338887 /nfs/dbraw/zinc/33/88/87/1065338887.db2.gz RFXBEPXKAXHUOE-WJPUGNRLSA-N 0 0 456.380 4.865 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCCOC4=O)cc3)cc2)c(C)c1Cl ZINC001436513576 1065339429 /nfs/dbraw/zinc/33/94/29/1065339429.db2.gz YPNZRFIKGUSRFY-HNNXBMFYSA-N 0 0 452.942 4.980 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1CC1CC(F)(F)C1 ZINC001360448545 1065339455 /nfs/dbraw/zinc/33/94/55/1065339455.db2.gz SRWAXUPFQGUIAK-GOSISDBHSA-N 0 0 459.585 4.712 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360448977 1065339995 /nfs/dbraw/zinc/33/99/95/1065339995.db2.gz ZCZSQDFVSKFUGY-QGZVFWFLSA-N 0 0 468.483 4.922 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(Br)n1 ZINC001360449825 1065340490 /nfs/dbraw/zinc/34/04/90/1065340490.db2.gz AVIASZXKTCFYOT-QGZVFWFLSA-N 0 0 463.383 4.667 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC001360449142 1065340539 /nfs/dbraw/zinc/34/05/39/1065340539.db2.gz HBFYAYYWZQFZSP-JOCHJYFZSA-N 0 0 453.441 4.737 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360449928 1065340587 /nfs/dbraw/zinc/34/05/87/1065340587.db2.gz CFMNNJUGAUNPJB-QWFCFKBJSA-N 0 0 451.537 4.601 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC001360449111 1065340621 /nfs/dbraw/zinc/34/06/21/1065340621.db2.gz GBVOSPUHNQPUFA-HNNXBMFYSA-N 0 0 453.869 4.546 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)O ZINC001360450004 1065340654 /nfs/dbraw/zinc/34/06/54/1065340654.db2.gz DYSWUXAOKJTLLT-IBGZPJMESA-N 0 0 471.646 4.751 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2ccncc2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360450269 1065341214 /nfs/dbraw/zinc/34/12/14/1065341214.db2.gz JOVQFXKPMDPQBK-SFHVURJKSA-N 0 0 482.510 4.846 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 ZINC001360450534 1065341729 /nfs/dbraw/zinc/34/17/29/1065341729.db2.gz NYLHKPKVTZCWKM-GIVPXCGWSA-N 0 0 455.603 4.727 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360450539 1065342593 /nfs/dbraw/zinc/34/25/93/1065342593.db2.gz NYVZOWQPTCSLKS-OAHLLOKOSA-N 0 0 458.513 4.985 20 0 JJADRN CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1ccc2ccc(Br)cc2c1 ZINC001436525230 1065343629 /nfs/dbraw/zinc/34/36/29/1065343629.db2.gz PQPSPKVVYCUOKJ-UHFFFAOYSA-N 0 0 451.364 4.866 20 0 JJADRN CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001436525238 1065343643 /nfs/dbraw/zinc/34/36/43/1065343643.db2.gz PSWUHNAHNSXQCX-UHFFFAOYSA-N 0 0 455.769 4.675 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 ZINC001360451404 1065343695 /nfs/dbraw/zinc/34/36/95/1065343695.db2.gz ZYMCTJQPKAQWFC-AZUAARDMSA-N 0 0 455.603 4.584 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(cncc4Br)s3)CC2)cc1 ZINC001360451272 1065343705 /nfs/dbraw/zinc/34/37/05/1065343705.db2.gz JJRFKEBIMLTZDS-UHFFFAOYSA-N 0 0 459.365 4.803 20 0 JJADRN Cc1c(Br)cnc(NC(=O)C[C@H]2CCC(F)(F)C2)c1I ZINC001436526088 1065343944 /nfs/dbraw/zinc/34/39/44/1065343944.db2.gz WYSCRZHVOFKMKO-MRVPVSSYSA-N 0 0 459.072 4.521 20 0 JJADRN Cc1c(Br)cnc(NC(=O)[C@@H](C)CC2CCCC2)c1I ZINC001436526074 1065344090 /nfs/dbraw/zinc/34/40/90/1065344090.db2.gz WYBFGPOZKDZEFB-VIFPVBQESA-N 0 0 451.146 4.912 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)CC2)cc1 ZINC001360451677 1065344230 /nfs/dbraw/zinc/34/42/30/1065344230.db2.gz VZCOAQXIGUMGTA-UHFFFAOYSA-N 0 0 451.563 4.646 20 0 JJADRN COc1cc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc2cccnc21 ZINC001436527168 1065344544 /nfs/dbraw/zinc/34/45/44/1065344544.db2.gz HHUBCVQGWSQXJO-UHFFFAOYSA-N 0 0 459.325 4.689 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)Cc3sc(SCC(C)C)nc3C)nc21 ZINC001436526404 1065344675 /nfs/dbraw/zinc/34/46/75/1065344675.db2.gz HBRDXJTWCIYFMJ-CYBMUJFWSA-N 0 0 453.655 4.820 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1 ZINC001360451907 1065344696 /nfs/dbraw/zinc/34/46/96/1065344696.db2.gz CIEKHVAGSNCZMD-UKRRQHHQSA-N 0 0 451.880 4.754 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360451906 1065344801 /nfs/dbraw/zinc/34/48/01/1065344801.db2.gz CIEKHVAGSNCZMD-HIFRSBDPSA-N 0 0 451.880 4.754 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccs1 ZINC001360451970 1065344834 /nfs/dbraw/zinc/34/48/34/1065344834.db2.gz DDZNSKUOIKTRGH-MRXNPFEDSA-N 0 0 450.543 4.566 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001436527193 1065345308 /nfs/dbraw/zinc/34/53/08/1065345308.db2.gz HKDFUWJQLRRKFV-LBPRGKRZSA-N 0 0 457.695 4.709 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360452344 1065345271 /nfs/dbraw/zinc/34/52/71/1065345271.db2.gz KIJABQOPHMALPR-IAGOWNOFSA-N 0 0 462.495 4.561 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360452343 1065345279 /nfs/dbraw/zinc/34/52/79/1065345279.db2.gz KIJABQOPHMALPR-DLBZAZTESA-N 0 0 462.495 4.561 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F ZINC001360452385 1065345463 /nfs/dbraw/zinc/34/54/63/1065345463.db2.gz KWRKCCQNNMXNQM-RDJZCZTQSA-N 0 0 479.478 4.503 20 0 JJADRN O=C(NCCn1cc(Br)ccc1=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001436528549 1065345934 /nfs/dbraw/zinc/34/59/34/1065345934.db2.gz NUOUENCGWDVCHZ-UHFFFAOYSA-N 0 0 451.792 4.574 20 0 JJADRN COCCOCc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC001436528341 1065345953 /nfs/dbraw/zinc/34/59/53/1065345953.db2.gz JPEHHYUMHPRUCQ-UHFFFAOYSA-N 0 0 453.539 4.628 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)c1ccco1 ZINC001360452489 1065345861 /nfs/dbraw/zinc/34/58/61/1065345861.db2.gz MWKJJLRPRPMEDP-PEBXRYMYSA-N 0 0 488.361 4.873 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCNc1ncc(Cl)cc1Cl ZINC001360452538 1065346029 /nfs/dbraw/zinc/34/60/29/1065346029.db2.gz NOTPUJLFOWCTNA-CQSZACIVSA-N 0 0 487.370 4.886 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360452421 1065346044 /nfs/dbraw/zinc/34/60/44/1065346044.db2.gz LFEAPSJZKYCWQB-KRWDZBQOSA-N 0 0 470.593 4.923 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2noc3c2COCC3)n1CCCC(F)(F)F ZINC001360452547 1065346125 /nfs/dbraw/zinc/34/61/25/1065346125.db2.gz NVKFAAPLRGUBSF-CYBMUJFWSA-N 0 0 453.440 4.685 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)c1ccco1 ZINC001360452490 1065346134 /nfs/dbraw/zinc/34/61/34/1065346134.db2.gz MWKJJLRPRPMEDP-RCDICMHDSA-N 0 0 488.361 4.873 20 0 JJADRN O=C(NCCc1cnc(SC2CCCC2)nc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001436529866 1065346470 /nfs/dbraw/zinc/34/64/70/1065346470.db2.gz YDAOUBZUNNBJTF-MSOLQXFVSA-N 0 0 451.514 4.872 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)nn1-c1c(Cl)cccc1Cl ZINC001436529520 1065346556 /nfs/dbraw/zinc/34/65/56/1065346556.db2.gz SNCRZXKNUXXSAR-UHFFFAOYSA-N 0 0 458.349 4.904 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccn2C)n1Cc1cccnc1OCC(F)F ZINC001360452828 1065347166 /nfs/dbraw/zinc/34/71/66/1065347166.db2.gz SRLDVCLNKCZOFH-MRXNPFEDSA-N 0 0 470.499 4.707 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360453120 1065347995 /nfs/dbraw/zinc/34/79/95/1065347995.db2.gz WOCBROYTQFSAPD-INIZCTEOSA-N 0 0 490.530 4.837 20 0 JJADRN O=C([C@@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001436531917 1065347935 /nfs/dbraw/zinc/34/79/35/1065347935.db2.gz UGBBINKJXJNIIZ-FQEVSTJZSA-N 0 0 454.395 4.763 20 0 JJADRN O=C(Nc1nccc2cc(Br)ccc21)c1csc(I)c1 ZINC001436534428 1065348596 /nfs/dbraw/zinc/34/85/96/1065348596.db2.gz PNPYBVQNXVSAIM-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2ccc(Br)cc2Cl)n1 ZINC001436536999 1065349419 /nfs/dbraw/zinc/34/94/19/1065349419.db2.gz NCXNRDDKDXNTNQ-UHFFFAOYSA-N 0 0 454.752 4.817 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCOCC1(C)C ZINC001360454127 1065349909 /nfs/dbraw/zinc/34/99/09/1065349909.db2.gz DFSYQRPKEARKJA-OAHLLOKOSA-N 0 0 494.459 4.670 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCOCC1(C)C ZINC001360454073 1065350058 /nfs/dbraw/zinc/35/00/58/1065350058.db2.gz BZSHFJYZHVMSTE-MRXNPFEDSA-N 0 0 461.969 4.639 20 0 JJADRN CCC(CC)(C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(OC)c(OC)c1 ZINC001436537254 1065350061 /nfs/dbraw/zinc/35/00/61/1065350061.db2.gz DFKDQCGILYJYGX-GOSISDBHSA-N 0 0 453.583 4.559 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCCC1 ZINC001360454280 1065351371 /nfs/dbraw/zinc/35/13/71/1065351371.db2.gz GTHKXEDLAITTKK-HNNXBMFYSA-N 0 0 472.387 4.544 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC1([S@](C)=O)CCC1 ZINC001360454430 1065352063 /nfs/dbraw/zinc/35/20/63/1065352063.db2.gz JRXWFAHXVRMWJE-OIJAAMDRSA-N 0 0 483.457 4.861 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(Br)c2)n1CC1([S@](C)=O)CCC1 ZINC001360454792 1065353497 /nfs/dbraw/zinc/35/34/97/1065353497.db2.gz RRFYGSGURQUSAR-HOLBHBGLSA-N 0 0 477.428 4.799 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N2CCc3c(F)ccc(Br)c3C2)nc1 ZINC001436546001 1065353762 /nfs/dbraw/zinc/35/37/62/1065353762.db2.gz JYJXBFFIMKZRBN-UHFFFAOYSA-N 0 0 457.299 4.983 20 0 JJADRN C[C@H](NC(=O)CCCCCNC(=O)NC1CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001436548422 1065354897 /nfs/dbraw/zinc/35/48/97/1065354897.db2.gz JFDSURMRANHJOQ-FQEVSTJZSA-N 0 0 456.631 4.573 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001360455414 1065355265 /nfs/dbraw/zinc/35/52/65/1065355265.db2.gz KJHMRSWIHWSGLJ-UHFFFAOYSA-N 0 0 454.958 4.931 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@H](C)c1ccccc1 ZINC001436549277 1065355506 /nfs/dbraw/zinc/35/55/06/1065355506.db2.gz MLASWRULKINXQE-IAGOWNOFSA-N 0 0 450.558 4.793 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC001436549282 1065355550 /nfs/dbraw/zinc/35/55/50/1065355550.db2.gz MLASWRULKINXQE-SJORKVTESA-N 0 0 450.558 4.793 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cn[nH]c1 ZINC001360456265 1065355701 /nfs/dbraw/zinc/35/57/01/1065355701.db2.gz KWJOYBBQNDLEPG-ZDUSSCGKSA-N 0 0 459.323 4.603 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001360456945 1065357147 /nfs/dbraw/zinc/35/71/47/1065357147.db2.gz XQKOTLOBDMSSNV-JKSUJKDBSA-N 0 0 451.468 4.759 20 0 JJADRN COc1cc(-c2noc(CCC(=O)NCc3oc4ccccc4c3C)n2)cc(Cl)c1OC ZINC001360457114 1065357170 /nfs/dbraw/zinc/35/71/70/1065357170.db2.gz BZTTXPOGWFQXOZ-UHFFFAOYSA-N 0 0 455.898 4.711 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccccc2Br)n1CCCc1cnn(C)c1 ZINC001360457044 1065357208 /nfs/dbraw/zinc/35/72/08/1065357208.db2.gz ZSWVCCDAKTVYMC-INIZCTEOSA-N 0 0 469.387 4.864 20 0 JJADRN C[C@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccc(N2CCCCC2=O)cc1 ZINC001436551426 1065357509 /nfs/dbraw/zinc/35/75/09/1065357509.db2.gz XSXSLORKEBKDIH-FBIATWESSA-N 0 0 469.626 4.951 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCCO2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360458330 1065357616 /nfs/dbraw/zinc/35/76/16/1065357616.db2.gz HRXFLLLUXKOUNC-NVXWUHKLSA-N 0 0 465.476 4.803 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001360458172 1065357630 /nfs/dbraw/zinc/35/76/30/1065357630.db2.gz FADICDVNUCKIFD-WBVHZDCISA-N 0 0 450.461 4.714 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(CO)c1 ZINC001360458624 1065358153 /nfs/dbraw/zinc/35/81/53/1065358153.db2.gz LWXSSGCSBGXWNP-UGKGYDQZSA-N 0 0 495.624 4.724 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)cc2F)ccn1 ZINC001436554314 1065358760 /nfs/dbraw/zinc/35/87/60/1065358760.db2.gz CZZVSOUHGCBMCO-CQSZACIVSA-N 0 0 455.511 4.501 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1 ZINC001360458816 1065358905 /nfs/dbraw/zinc/35/89/05/1065358905.db2.gz PYWGSSLVMOKODA-GUDVDZBRSA-N 0 0 475.659 4.936 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001436554562 1065359177 /nfs/dbraw/zinc/35/91/77/1065359177.db2.gz TWOGWGATGXGLMQ-NRFANRHFSA-N 0 0 455.848 4.570 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccs1 ZINC001360458988 1065359357 /nfs/dbraw/zinc/35/93/57/1065359357.db2.gz RKQAQGVJKSARCT-IEBWSBKVSA-N 0 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C[C@H](c1ccco1)N(C)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCCCCC1 ZINC001360459750 1065361683 /nfs/dbraw/zinc/36/16/83/1065361683.db2.gz YKNOOYIVTAAIQR-LJQANCHMSA-N 0 0 453.562 4.591 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccncc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360459775 1065361765 /nfs/dbraw/zinc/36/17/65/1065361765.db2.gz YTCSBCWVWMAYKH-ZDUSSCGKSA-N 0 0 479.894 4.508 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCCCCC1 ZINC001360459749 1065361916 /nfs/dbraw/zinc/36/19/16/1065361916.db2.gz YKNOOYIVTAAIQR-IBGZPJMESA-N 0 0 453.562 4.591 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCSC1 ZINC001360460549 1065362630 /nfs/dbraw/zinc/36/26/30/1065362630.db2.gz CAPCPTBJVOWUCH-RBZFPXEDSA-N 0 0 497.459 4.974 20 0 JJADRN CCc1nnc(CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)s1 ZINC001436560050 1065362703 /nfs/dbraw/zinc/36/27/03/1065362703.db2.gz LGEZXKHROIWWOU-MRXNPFEDSA-N 0 0 459.399 4.632 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 ZINC001360460624 1065363196 /nfs/dbraw/zinc/36/31/96/1065363196.db2.gz DLIXKMAJGYSLEY-RXVVDRJESA-N 0 0 481.597 4.681 20 0 JJADRN CCN(C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC001436561020 1065363226 /nfs/dbraw/zinc/36/32/26/1065363226.db2.gz JAOGUKMLZJASFR-ZGFBMJKBSA-N 0 0 456.671 4.982 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NCc1ccccc1 ZINC001360460586 1065363334 /nfs/dbraw/zinc/36/33/34/1065363334.db2.gz CRMZKDNKWDLYOL-ZILOHOTNSA-N 0 0 479.625 4.694 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360460803 1065363848 /nfs/dbraw/zinc/36/38/48/1065363848.db2.gz HRGGNDLPKXFPCY-AEFFLSMTSA-N 0 0 481.651 4.549 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360460806 1065363932 /nfs/dbraw/zinc/36/39/32/1065363932.db2.gz HRGGNDLPKXFPCY-WMZOPIPTSA-N 0 0 481.651 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC001436563171 1065364502 /nfs/dbraw/zinc/36/45/02/1065364502.db2.gz LFDHYBGDPYNING-LJQANCHMSA-N 0 0 455.580 4.520 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)on1 ZINC001436562349 1065364534 /nfs/dbraw/zinc/36/45/34/1065364534.db2.gz FWLIYQDAGYONCR-FQEVSTJZSA-N 0 0 457.596 4.795 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(C(=O)N2CCCC2)n1CCNc1ncc(Cl)cc1Cl ZINC001360460889 1065364513 /nfs/dbraw/zinc/36/45/13/1065364513.db2.gz JHTHEGDARVGMFP-AWEZNQCLSA-N 0 0 494.452 4.587 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360461271 1065365732 /nfs/dbraw/zinc/36/57/32/1065365732.db2.gz RFRNOTRCPAKRRL-GFCCVEGCSA-N 0 0 493.540 4.708 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)NC(C)(C)C ZINC001360461240 1065365882 /nfs/dbraw/zinc/36/58/82/1065365882.db2.gz QKPBHANOZQMSCZ-QGZVFWFLSA-N 0 0 477.638 4.899 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1ccn[nH]1 ZINC001360461449 1065367305 /nfs/dbraw/zinc/36/73/05/1065367305.db2.gz VFNSVYORMPDPNU-KRWDZBQOSA-N 0 0 477.638 4.655 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001436566634 1065367858 /nfs/dbraw/zinc/36/78/58/1065367858.db2.gz HUMQLWMNAVXIAA-MAUKXSAKSA-N 0 0 456.505 4.670 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1 ZINC001436566546 1065367872 /nfs/dbraw/zinc/36/78/72/1065367872.db2.gz IMTZHJWRPIRIGA-PZJWPPBQSA-N 0 0 451.567 4.665 20 0 JJADRN Cc1c(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001436566847 1065367948 /nfs/dbraw/zinc/36/79/48/1065367948.db2.gz SSRQLWZCFLNUJN-UHFFFAOYSA-N 0 0 452.942 4.821 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1 ZINC001360461532 1065368594 /nfs/dbraw/zinc/36/85/94/1065368594.db2.gz WZDRROMIJSOXSC-CQSZACIVSA-N 0 0 464.433 4.610 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001436567242 1065368536 /nfs/dbraw/zinc/36/85/36/1065368536.db2.gz VJMIRLXYMWNGFA-KURKYZTESA-N 0 0 456.512 4.953 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436567225 1065368610 /nfs/dbraw/zinc/36/86/10/1065368610.db2.gz KOHPRFHNNNLSHY-QFIPXVFZSA-N 0 0 454.567 4.568 20 0 JJADRN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001436567559 1065369035 /nfs/dbraw/zinc/36/90/35/1065369035.db2.gz QHQCETUIVBYLLY-LSDHHAIUSA-N 0 0 451.352 4.764 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(=O)N(C)C ZINC001360461769 1065369202 /nfs/dbraw/zinc/36/92/02/1065369202.db2.gz BJSNUVOMAUXIMQ-KRWDZBQOSA-N 0 0 464.595 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001436568422 1065369798 /nfs/dbraw/zinc/36/97/98/1065369798.db2.gz OWCOZUJDQSSYTG-KRWDZBQOSA-N 0 0 452.567 4.986 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C(F)(F)F ZINC001360462046 1065370438 /nfs/dbraw/zinc/37/04/38/1065370438.db2.gz DVZMRTSKAMWEBA-WBVHZDCISA-N 0 0 498.596 4.701 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001360462319 1065370491 /nfs/dbraw/zinc/37/04/91/1065370491.db2.gz HYSACCIDKUIHSN-HNNXBMFYSA-N 0 0 474.512 4.983 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccccc1OC(F)F ZINC001360462511 1065370550 /nfs/dbraw/zinc/37/05/50/1065370550.db2.gz JJNOCEPLGQVQFI-HNNXBMFYSA-N 0 0 458.538 4.782 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CC1 ZINC001360462180 1065370613 /nfs/dbraw/zinc/37/06/13/1065370613.db2.gz GDAYZNQVLTUFHG-FUMQJTLXSA-N 0 0 489.686 4.813 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCC1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001436569824 1065371363 /nfs/dbraw/zinc/37/13/63/1065371363.db2.gz RKWXQXPFWIRGTH-ACBHZAAOSA-N 0 0 450.417 4.741 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cccc(C(=O)c2ccco2)c1 ZINC001436571665 1065371780 /nfs/dbraw/zinc/37/17/80/1065371780.db2.gz ATLDIPIOLCGWRK-UHFFFAOYSA-N 0 0 450.292 4.770 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c(Cl)cc1Cl ZINC001360463194 1065371819 /nfs/dbraw/zinc/37/18/19/1065371819.db2.gz MPSSSLLBAXPKKN-UHFFFAOYSA-N 0 0 458.260 4.741 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001360463663 1065372437 /nfs/dbraw/zinc/37/24/37/1065372437.db2.gz VWVRCHJLRNRILX-KRWDZBQOSA-N 0 0 456.616 4.904 20 0 JJADRN O=C(/C=C\c1ccc(F)c2ccccc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001360463788 1065372496 /nfs/dbraw/zinc/37/24/96/1065372496.db2.gz RNYMTQOQYIIUFB-VRVLXJBKSA-N 0 0 454.448 4.905 20 0 JJADRN C[C@H](OC(=O)Cc1ccc(F)cc1Br)c1ccc(SCC(=O)N(C)C)cc1 ZINC001436572836 1065373208 /nfs/dbraw/zinc/37/32/08/1065373208.db2.gz DNMQFYBREABVDX-ZDUSSCGKSA-N 0 0 454.361 4.615 20 0 JJADRN C[C@@H](OC(=O)Cc1ccc(F)cc1Br)c1ccc(SCC(=O)N(C)C)cc1 ZINC001436572833 1065373231 /nfs/dbraw/zinc/37/32/31/1065373231.db2.gz DNMQFYBREABVDX-CYBMUJFWSA-N 0 0 454.361 4.615 20 0 JJADRN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001360464164 1065373922 /nfs/dbraw/zinc/37/39/22/1065373922.db2.gz VEOPXUKVTNXEKB-HSZRJFAPSA-N 0 0 450.485 4.809 20 0 JJADRN CCCN(C(=O)c1csc(CNC(=O)OC(C)(C)C)n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001360465143 1065373954 /nfs/dbraw/zinc/37/39/54/1065373954.db2.gz NFUAURFELSZAIL-ROUUACIJSA-N 0 0 451.633 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(N=S(C)(C)=O)cc3)cccc21 ZINC001436573960 1065373853 /nfs/dbraw/zinc/37/38/53/1065373853.db2.gz NOJGZUSKTUQJHA-UHFFFAOYSA-N 0 0 457.596 4.663 20 0 JJADRN C[C@]1(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)OCCc2sccc21 ZINC001436574532 1065374446 /nfs/dbraw/zinc/37/44/46/1065374446.db2.gz MVYFQEWNJQPVRV-HXUWFJFHSA-N 0 0 453.347 4.840 20 0 JJADRN COc1cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)ccc1OC(F)F ZINC001436574521 1065374458 /nfs/dbraw/zinc/37/44/58/1065374458.db2.gz QWFIEAMFHHRZSE-UHFFFAOYSA-N 0 0 452.255 4.556 20 0 JJADRN 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1065375553 /nfs/dbraw/zinc/37/55/53/1065375553.db2.gz BZMCIVCBQVKESH-MRXNPFEDSA-N 0 0 472.684 4.656 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC001436575898 1065375815 /nfs/dbraw/zinc/37/58/15/1065375815.db2.gz OGVCEAYVIZLUAZ-QGZVFWFLSA-N 0 0 457.592 4.654 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001360465994 1065375991 /nfs/dbraw/zinc/37/59/91/1065375991.db2.gz FWEAKKZZDNIOIM-GOSISDBHSA-N 0 0 470.643 4.828 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001360465989 1065376009 /nfs/dbraw/zinc/37/60/09/1065376009.db2.gz FRLCHJFYROGUKC-XPIZARPCSA-N 0 0 466.529 4.839 20 0 JJADRN C[C@]1(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)OCCc2sccc21 ZINC001436576408 1065376376 /nfs/dbraw/zinc/37/63/76/1065376376.db2.gz YIRJCTYHUFFAQP-LJQANCHMSA-N 0 0 451.317 4.523 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1 ZINC001360466091 1065376746 /nfs/dbraw/zinc/37/67/46/1065376746.db2.gz ICOBMHXWZKWJNA-PXNSSMCTSA-N 0 0 461.031 4.977 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001436576949 1065376913 /nfs/dbraw/zinc/37/69/13/1065376913.db2.gz ZDLSHKGEWXQANQ-HNNXBMFYSA-N 0 0 459.518 4.639 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(C(N)=O)c1 ZINC001360466345 1065378291 /nfs/dbraw/zinc/37/82/91/1065378291.db2.gz LHJWMBXXBQGPJF-UCNVEGJOSA-N 0 0 481.666 4.797 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1oc(Br)cc1C)NC(=O)OC(C)(C)C ZINC001436580259 1065379570 /nfs/dbraw/zinc/37/95/70/1065379570.db2.gz GHWKCKKNMCNROT-INIZCTEOSA-N 0 0 451.361 4.909 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CC2CC2)n1CCCCn1cc(Br)cn1 ZINC001360466890 1065380130 /nfs/dbraw/zinc/38/01/30/1065380130.db2.gz QFGYBCJGVJDXFV-OAHLLOKOSA-N 0 0 463.449 4.929 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)c1c(C(F)F)nc2ccccn21)NC(=O)OC(C)(C)C ZINC001436581078 1065380142 /nfs/dbraw/zinc/38/01/42/1065380142.db2.gz LWJXJHDUWUZSJK-QGZVFWFLSA-N 0 0 458.509 4.830 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCOC1=O ZINC001360467039 1065380313 /nfs/dbraw/zinc/38/03/13/1065380313.db2.gz RJBCPUTYERBNEK-INIZCTEOSA-N 0 0 476.002 4.612 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC001436582613 1065381202 /nfs/dbraw/zinc/38/12/02/1065381202.db2.gz BDYGKSYDCVWUBG-UHFFFAOYSA-N 0 0 455.605 4.834 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CC(C)(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001360467531 1065381611 /nfs/dbraw/zinc/38/16/11/1065381611.db2.gz WWBMBPGVTHGRGK-FUHWJXTLSA-N 0 0 473.609 4.779 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(C)(C)O)c1 ZINC001360467511 1065381661 /nfs/dbraw/zinc/38/16/61/1065381661.db2.gz WQQZOLIAGOPSFU-QGZVFWFLSA-N 0 0 495.674 4.804 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)NC(=O)OC(C)(C)C ZINC001436582893 1065381807 /nfs/dbraw/zinc/38/18/07/1065381807.db2.gz UBRRABREBWJYBH-UUOWRZLLSA-N 0 0 452.595 4.887 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)NC(=O)OC(C)(C)C ZINC001436582891 1065381868 /nfs/dbraw/zinc/38/18/68/1065381868.db2.gz UBRRABREBWJYBH-MHECFPHRSA-N 0 0 452.595 4.887 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H]1CCOC1 ZINC001360467698 1065382310 /nfs/dbraw/zinc/38/23/10/1065382310.db2.gz XWXZYVUORXFPDR-ANTGDGSKSA-N 0 0 462.660 4.651 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(c2nnc(-c3ccccc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360467739 1065382376 /nfs/dbraw/zinc/38/23/76/1065382376.db2.gz YTPCHIZBHILWSQ-LJQANCHMSA-N 0 0 492.615 4.774 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)C2CC2)s1)NC(=O)OC(C)(C)C ZINC001436583869 1065382490 /nfs/dbraw/zinc/38/24/90/1065382490.db2.gz VTVLGSKTUMSXDS-SFHVURJKSA-N 0 0 457.596 4.655 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2ccccc2F)n1CCCOC1CCOCC1 ZINC001360467744 1065382448 /nfs/dbraw/zinc/38/24/48/1065382448.db2.gz YXYVCLMCWWGICS-GOSISDBHSA-N 0 0 458.603 4.853 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)C[C@H]1CCCO1 ZINC001436585852 1065384774 /nfs/dbraw/zinc/38/47/74/1065384774.db2.gz SRBZRGWEJBEVKY-LJQANCHMSA-N 0 0 456.505 4.865 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC001436587530 1065384784 /nfs/dbraw/zinc/38/47/84/1065384784.db2.gz GAJZNEWBTSXDIG-UHFFFAOYSA-N 0 0 457.168 4.778 20 0 JJADRN CC(C)c1cc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)n(-c2ccccc2)n1 ZINC001436587908 1065385223 /nfs/dbraw/zinc/38/52/23/1065385223.db2.gz KSGNXAWRTRFJPA-VWLOTQADSA-N 0 0 450.514 4.685 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001436592152 1065388338 /nfs/dbraw/zinc/38/83/38/1065388338.db2.gz LVLDKDHXKNCTFN-YADHBBJMSA-N 0 0 456.583 4.890 20 0 JJADRN COc1ccc2c(c1)OCC(C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1)=C2 ZINC001360470676 1065389058 /nfs/dbraw/zinc/38/90/58/1065389058.db2.gz YQLZLIOEEGTHLA-UHFFFAOYSA-N 0 0 454.324 4.675 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 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LYVTUILEFCOZAR-UHFFFAOYSA-N 0 0 450.695 4.775 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC(F)(F)Cl)cc1)c1ccccc1 ZINC001360472567 1065392775 /nfs/dbraw/zinc/39/27/75/1065392775.db2.gz GVPZVQYTUNXYGU-NRFANRHFSA-N 0 0 458.892 4.859 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)nn1-c1ccc(Cl)cc1 ZINC001436600451 1065393494 /nfs/dbraw/zinc/39/34/94/1065393494.db2.gz WWMZMMSYZUDCID-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C ZINC001545899788 1065393595 /nfs/dbraw/zinc/39/35/95/1065393595.db2.gz ZKRUNYDNDXAILJ-HNNXBMFYSA-N 0 0 456.926 4.947 20 0 JJADRN Cc1ccc(CCC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c(Br)c1 ZINC001436601122 1065393987 /nfs/dbraw/zinc/39/39/87/1065393987.db2.gz QJOVPCWAMYRKCV-LJQANCHMSA-N 0 0 451.405 4.740 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCCC[C@H]3COC(=O)NC3CC3)s2)cc1 ZINC001436601328 1065394125 /nfs/dbraw/zinc/39/41/25/1065394125.db2.gz QXJNUASFVHXMNJ-SFHVURJKSA-N 0 0 457.596 4.655 20 0 JJADRN CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001436601873 1065394171 /nfs/dbraw/zinc/39/41/71/1065394171.db2.gz KKNRPGRKIYWYMC-NHCUHLMSSA-N 0 0 454.368 4.953 20 0 JJADRN CCC1(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001360474993 1065393992 /nfs/dbraw/zinc/39/39/92/1065393992.db2.gz DFMRCIQSGLWJDO-UHFFFAOYSA-N 0 0 451.636 4.819 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001360474925 1065394128 /nfs/dbraw/zinc/39/41/28/1065394128.db2.gz BMDYUPKHGLOCDP-JIPXPUAJSA-N 0 0 450.579 4.590 20 0 JJADRN Cc1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)ccc1N1CCSCC1 ZINC001360475342 1065394727 /nfs/dbraw/zinc/39/47/27/1065394727.db2.gz MEDCFHIXXVTMPK-NRFANRHFSA-N 0 0 455.624 4.795 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)nnc1-c1ccco1 ZINC001360478119 1065395859 /nfs/dbraw/zinc/39/58/59/1065395859.db2.gz LBMJQIDRFAACNU-FQEVSTJZSA-N 0 0 450.539 4.889 20 0 JJADRN CON1CCC(N(C)C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)CC1 ZINC001436611045 1065397763 /nfs/dbraw/zinc/39/77/63/1065397763.db2.gz IFENJCDVOATGLO-UHFFFAOYSA-N 0 0 454.368 4.762 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)c1 ZINC001360480154 1065398133 /nfs/dbraw/zinc/39/81/33/1065398133.db2.gz PVWIUPPQNMMYBU-JGCGQSQUSA-N 0 0 457.546 4.939 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(F)cc2I)c1 ZINC001360480242 1065399189 /nfs/dbraw/zinc/39/91/89/1065399189.db2.gz SIHNHAMZQWUROJ-XMMPIXPASA-N 0 0 459.324 4.730 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001436616670 1065399048 /nfs/dbraw/zinc/39/90/48/1065399048.db2.gz JKYIUIFUANLPHC-NVXWUHKLSA-N 0 0 471.360 4.548 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1OC ZINC001436616999 1065399688 /nfs/dbraw/zinc/39/96/88/1065399688.db2.gz NDOSKZCVXRFZQF-DCKIUFBFSA-N 0 0 470.635 4.873 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCc2cc(F)c(F)c(F)c21 ZINC001436625602 1065402985 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FQAPLEUOBTXTNH-DEOSSOPVSA-N 0 0 453.629 4.868 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360500846 1065424180 /nfs/dbraw/zinc/42/41/80/1065424180.db2.gz OXUCWSKDCAOCKP-PKOBYXMFSA-N 0 0 479.572 4.752 20 0 JJADRN Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(C)c1 ZINC001360501020 1065424302 /nfs/dbraw/zinc/42/43/02/1065424302.db2.gz SHNHVUVUUBCZJU-UHFFFAOYSA-N 0 0 459.333 4.978 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001436699825 1065425136 /nfs/dbraw/zinc/42/51/36/1065425136.db2.gz IKAMCQNZPIJFQD-LJQANCHMSA-N 0 0 454.242 4.718 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001436710863 1065426022 /nfs/dbraw/zinc/42/60/22/1065426022.db2.gz AKTLAKQPWUITEM-AWEZNQCLSA-N 0 0 455.331 4.627 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001436709954 1065426059 /nfs/dbraw/zinc/42/60/59/1065426059.db2.gz WDPDSUFQIGNGIU-VQTJNVASSA-N 0 0 476.930 4.653 20 0 JJADRN 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O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1csc(Cc2cccc(F)c2)n1 ZINC001436713141 1065427712 /nfs/dbraw/zinc/42/77/12/1065427712.db2.gz IODFEWMGFGEAMA-RBUKOAKNSA-N 0 0 463.500 4.633 20 0 JJADRN O=C(NCC[S@](=O)Cc1ccccc1)c1ccccc1CSc1nc2ccccc2o1 ZINC001360502572 1065428256 /nfs/dbraw/zinc/42/82/56/1065428256.db2.gz XSXPKIBMJNGJHO-HKBQPEDESA-N 0 0 450.585 4.799 20 0 JJADRN CCCN(C(=O)Cc1nnn(-c2ccc(C)cc2)c1C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502358 1065428338 /nfs/dbraw/zinc/42/83/38/1065428338.db2.gz QPQVRMIJUKFGFJ-MHZLTWQESA-N 0 0 457.553 4.989 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(-c2ccccc2Cl)n1 ZINC001436716137 1065428566 /nfs/dbraw/zinc/42/85/66/1065428566.db2.gz XEXJPTXJWNQNIY-FXAWDEMLSA-N 0 0 462.903 4.501 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1 ZINC001360502733 1065428874 /nfs/dbraw/zinc/42/88/74/1065428874.db2.gz BKLUMCTXPRHCKQ-IBGZPJMESA-N 0 0 453.631 4.548 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CCSC(F)(F)F 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XFGIQMKSWKYEPT-UHFFFAOYSA-N 0 0 457.699 4.577 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(Cl)c(I)c1 ZINC001436954284 1065480328 /nfs/dbraw/zinc/48/03/28/1065480328.db2.gz XWUXRXCUPHITBX-JTQLQIEISA-N 0 0 452.720 4.529 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)c2)cc1 ZINC001360517460 1065480823 /nfs/dbraw/zinc/48/08/23/1065480823.db2.gz GPQPDNFVYGUMOW-FGZHOGPDSA-N 0 0 464.587 4.696 20 0 JJADRN COCc1csc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC001360517401 1065480865 /nfs/dbraw/zinc/48/08/65/1065480865.db2.gz DKVMXWKISIKWLV-SJORKVTESA-N 0 0 451.976 4.532 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)c2ccc(OC(F)F)c(Br)c2)ccc1Cl ZINC001360517558 1065480897 /nfs/dbraw/zinc/48/08/97/1065480897.db2.gz KEGQLCCQDYDECU-VWLOTQADSA-N 0 0 452.704 4.835 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360517286 1065480951 /nfs/dbraw/zinc/48/09/51/1065480951.db2.gz ZYKVTDSRYWYUTH-QKLQHJQFSA-N 0 0 470.593 4.724 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC001360517727 1065480986 /nfs/dbraw/zinc/48/09/86/1065480986.db2.gz PGNNYAIUEWMTFK-WJOKGBTCSA-N 0 0 454.983 4.603 20 0 JJADRN CCC(CC)(CNC(=O)[C@H](C)c1ccc(I)cc1)C(=O)OC(C)(C)C ZINC001436958821 1065480959 /nfs/dbraw/zinc/48/09/59/1065480959.db2.gz ZSLNWRKPODXYGR-CQSZACIVSA-N 0 0 459.368 4.659 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Br)ccc3OC(F)(F)F)cn2)n1 ZINC001436958675 1065481159 /nfs/dbraw/zinc/48/11/59/1065481159.db2.gz FWMIEQROWGWAAE-UHFFFAOYSA-N 0 0 455.234 4.798 20 0 JJADRN COc1cc(OC)c(C(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1OC ZINC001436959401 1065481170 /nfs/dbraw/zinc/48/11/70/1065481170.db2.gz LGFQKNSTEZMCQK-UHFFFAOYSA-N 0 0 450.207 4.626 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(Br)s2)n1CCOCC(F)F)c1nccs1 ZINC001360518783 1065483642 /nfs/dbraw/zinc/48/36/42/1065483642.db2.gz DKKLYXGRMQQMMS-NSHDSACASA-N 0 0 492.415 4.747 20 0 JJADRN COc1cc(C)c(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC001436969069 1065483878 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LNFAONCQNWOZLJ-VQTJNVASSA-N 0 0 457.958 4.844 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437156275 1065516076 /nfs/dbraw/zinc/51/60/76/1065516076.db2.gz YBUWQNWVCNOZNY-OZROYSPXSA-N 0 0 464.606 4.701 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1Cl ZINC001437176020 1065516588 /nfs/dbraw/zinc/51/65/88/1065516588.db2.gz BBJAOTWDCBHIBN-ZFWWWQNUSA-N 0 0 450.885 4.846 20 0 JJADRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001437174659 1065516605 /nfs/dbraw/zinc/51/66/05/1065516605.db2.gz SNCRBXKQDZWZAN-UHFFFAOYSA-N 0 0 450.182 4.644 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@H]1C)Oc1ccccc1F ZINC001360535217 1065516833 /nfs/dbraw/zinc/51/68/33/1065516833.db2.gz BCIKURPUIWGXRD-KFWWJZLASA-N 0 0 494.434 4.973 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001437178814 1065516792 /nfs/dbraw/zinc/51/67/92/1065516792.db2.gz GAELBFZDRYAMNK-OAQYLSRUSA-N 0 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C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1)Oc1ccccc1F ZINC001360536305 1065519062 /nfs/dbraw/zinc/51/90/62/1065519062.db2.gz WFUOSPKZRITWCX-OAHLLOKOSA-N 0 0 488.361 4.882 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC1CCOCC1)N(C)C(=O)OC(C)(C)C ZINC001360536247 1065519164 /nfs/dbraw/zinc/51/91/64/1065519164.db2.gz LTLGXSNUSYVJCD-QGZVFWFLSA-N 0 0 478.037 4.717 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1CCCOc1ccc(F)cc1 ZINC001545905483 1065519553 /nfs/dbraw/zinc/51/95/53/1065519553.db2.gz BYRNHXKRJNZRFS-UHFFFAOYSA-N 0 0 485.629 4.819 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CCC(F)(F)CC1 ZINC001437203862 1065519572 /nfs/dbraw/zinc/51/95/72/1065519572.db2.gz WTFYYLZTEZNSCB-FUHIMQAGSA-N 0 0 454.558 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1Cc1ccnc(SC)c1 ZINC001545905469 1065519595 /nfs/dbraw/zinc/51/95/95/1065519595.db2.gz BOCYGTPKOAUYDL-UHFFFAOYSA-N 0 0 456.660 4.522 20 0 JJADRN COc1ccc2c(c1)C=C(C(=O)N1CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC1)CO2 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VCHCFAYNDYNFKA-HNNXBMFYSA-N 0 0 488.455 4.665 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001437284679 1065530414 /nfs/dbraw/zinc/53/04/14/1065530414.db2.gz UCOCMTMSVSETMC-BQJUDKOJSA-N 0 0 458.599 4.756 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C2CCC1(C)CC2)N(C)C(=O)OC(C)(C)C ZINC001360541932 1065530436 /nfs/dbraw/zinc/53/04/36/1065530436.db2.gz PFBKQPVOZVEECK-YWNJXLEPSA-N 0 0 461.010 4.770 20 0 JJADRN CCc1cccc(CNC(=O)c2cc(I)cc(Br)c2C)c1 ZINC001437284512 1065530667 /nfs/dbraw/zinc/53/06/67/1065530667.db2.gz CHQZYDGEFOBNJH-UHFFFAOYSA-N 0 0 458.137 4.855 20 0 JJADRN C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC001360542406 1065531319 /nfs/dbraw/zinc/53/13/19/1065531319.db2.gz VMIPIOUXAFMFLB-OALUTQOASA-N 0 0 483.613 4.722 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1nccs1 ZINC001360542365 1065531335 /nfs/dbraw/zinc/53/13/35/1065531335.db2.gz UPWOHEUFUBNPNN-GFCCVEGCSA-N 0 0 496.950 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CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@]1(C)CCCS1 ZINC001545906039 1065532794 /nfs/dbraw/zinc/53/27/94/1065532794.db2.gz OPZIOIZOUQWMNB-BWKNWUBXSA-N 0 0 455.672 4.694 20 0 JJADRN CCOc1ccc(COC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C)c1 ZINC001437296546 1065533361 /nfs/dbraw/zinc/53/33/61/1065533361.db2.gz KBFULJCJFPHDKT-UHFFFAOYSA-N 0 0 450.720 4.747 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001360544387 1065533714 /nfs/dbraw/zinc/53/37/14/1065533714.db2.gz IFEHXVXRWXXUJV-INIZCTEOSA-N 0 0 467.536 4.979 20 0 JJADRN CC1(C)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cc(F)ccc21 ZINC001437299787 1065533960 /nfs/dbraw/zinc/53/39/60/1065533960.db2.gz HOBZSAJQPPYHCW-UHFFFAOYSA-N 0 0 458.599 4.647 20 0 JJADRN O=C(c1cccc(C(F)(F)F)n1)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437297772 1065534001 /nfs/dbraw/zinc/53/40/01/1065534001.db2.gz BTFWZKJIGPZMCJ-UHFFFAOYSA-N 0 0 455.152 4.921 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1)N(C)C(=O)OC(C)(C)C ZINC001360544407 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ZINC001437366641 1065542904 /nfs/dbraw/zinc/54/29/04/1065542904.db2.gz OXDFVHXMQGAGPP-RUZDIDTESA-N 0 0 454.567 4.908 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001437366788 1065542932 /nfs/dbraw/zinc/54/29/32/1065542932.db2.gz UHONRVBSSGIECD-VWLOTQADSA-N 0 0 453.970 4.864 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)c1 ZINC001360551629 1065542892 /nfs/dbraw/zinc/54/28/92/1065542892.db2.gz SSQXRFBUIVDCPQ-UHFFFAOYSA-N 0 0 454.548 4.957 20 0 JJADRN CCCCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001437372785 1065543426 /nfs/dbraw/zinc/54/34/26/1065543426.db2.gz XLIMIQRNIVCALU-UNMCSNQZSA-N 0 0 457.640 4.970 20 0 JJADRN C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CCc1nccs1)N(C)C(=O)OC(C)(C)C ZINC001360553316 1065543956 /nfs/dbraw/zinc/54/39/56/1065543956.db2.gz LDBSUYJUQMZEAN-KRWDZBQOSA-N 0 0 495.653 4.817 20 0 JJADRN CCCCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCc2ncsc2C1 ZINC001437373687 1065543858 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QKOAAUBADVKLFL-IBGZPJMESA-N 0 0 469.630 4.706 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001437385402 1065546061 /nfs/dbraw/zinc/54/60/61/1065546061.db2.gz FAZSJUDWIWKJGR-QFIPXVFZSA-N 0 0 459.631 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437383602 1065546130 /nfs/dbraw/zinc/54/61/30/1065546130.db2.gz XDKBFQWSELJJME-AEFFLSMTSA-N 0 0 456.414 4.726 20 0 JJADRN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc(CSC3CCCCC3)c2)s1 ZINC001360556740 1065546334 /nfs/dbraw/zinc/54/63/34/1065546334.db2.gz BNAPAKPVXZZCMV-UHFFFAOYSA-N 0 0 452.667 4.658 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccc(F)cc1 ZINC001360557809 1065546754 /nfs/dbraw/zinc/54/67/54/1065546754.db2.gz GFKIWWZYFDAOEN-RBUKOAKNSA-N 0 0 487.620 4.845 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@H]2Cc3cc(Br)ccc3O2)c(Cl)c1 ZINC001437392605 1065547214 /nfs/dbraw/zinc/54/72/14/1065547214.db2.gz BLICITKLHPYAIO-QGZVFWFLSA-N 0 0 454.704 4.969 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001437392674 1065547275 /nfs/dbraw/zinc/54/72/75/1065547275.db2.gz XJSKTMBDLDBDDL-FQEVSTJZSA-N 0 0 453.514 4.670 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccc(F)cc1 ZINC001360557818 1065547492 /nfs/dbraw/zinc/54/74/92/1065547492.db2.gz GIHUWALUFKRPKZ-YLJYHZDGSA-N 0 0 473.593 4.598 20 0 JJADRN Cc1cc(=O)c(C(=O)Oc2ccc(NC(=O)OC(C)C)cc2Cl)nn1-c1ccccc1F ZINC001437393176 1065547437 /nfs/dbraw/zinc/54/74/37/1065547437.db2.gz DOAFLVWTKOROHU-UHFFFAOYSA-N 0 0 459.861 4.510 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)N(C)c1ccccc1 ZINC001360558362 1065547638 /nfs/dbraw/zinc/54/76/38/1065547638.db2.gz PFQWPABMGNQOLQ-NZQKXSOJSA-N 0 0 482.673 4.906 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001437410043 1065547915 /nfs/dbraw/zinc/54/79/15/1065547915.db2.gz JWRKZKQEZOSXLM-ZCNNSNEGSA-N 0 0 459.384 4.996 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001360558792 1065548012 /nfs/dbraw/zinc/54/80/12/1065548012.db2.gz CJEJUHUPRXOZKX-YZGWKJHDSA-N 0 0 452.521 4.871 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1F)N(C)C(=O)OC(C)(C)C ZINC001360559184 1065548602 /nfs/dbraw/zinc/54/86/02/1065548602.db2.gz GGKUFNQWGYSJBG-YLJYHZDGSA-N 0 0 461.582 4.551 20 0 JJADRN Cc1ccc(N(CC(C)C)C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 ZINC001437415144 1065548655 /nfs/dbraw/zinc/54/86/55/1065548655.db2.gz PVFOINTYKWAZDR-UHFFFAOYSA-N 0 0 457.368 4.741 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437419167 1065549062 /nfs/dbraw/zinc/54/90/62/1065549062.db2.gz YGZVLIUZEBWYHI-FIPLFPIMSA-N 0 0 453.377 4.884 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001437416782 1065549192 /nfs/dbraw/zinc/54/91/92/1065549192.db2.gz VWCNGKUYSUKBSG-BJKOFHAPSA-N 0 0 469.006 4.512 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360559847 1065549707 /nfs/dbraw/zinc/54/97/07/1065549707.db2.gz NXCULYLQMTWGAX-DLBZAZTESA-N 0 0 469.527 4.615 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360559998 1065550232 /nfs/dbraw/zinc/55/02/32/1065550232.db2.gz PPKYODROBFKIKV-LPHOPBHVSA-N 0 0 462.019 4.949 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1nccs1 ZINC001360560444 1065550942 /nfs/dbraw/zinc/55/09/42/1065550942.db2.gz WWNPZJCXLVWFRK-ZWKOTPCHSA-N 0 0 490.674 4.664 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)S[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360560512 1065551371 /nfs/dbraw/zinc/55/13/71/1065551371.db2.gz YFCFJDFFGGOZGI-VIPLHTEESA-N 0 0 451.036 4.971 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1ccc2c(c1)nnn2C ZINC001360560744 1065551599 /nfs/dbraw/zinc/55/15/99/1065551599.db2.gz DUXDYQZZFSZFBR-NSHDSACASA-N 0 0 456.369 4.654 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)s1 ZINC001437438210 1065551856 /nfs/dbraw/zinc/55/18/56/1065551856.db2.gz JFXLDKGIPBELRU-IUODEOHRSA-N 0 0 481.412 4.916 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCOC1 ZINC001437436680 1065551934 /nfs/dbraw/zinc/55/19/34/1065551934.db2.gz ATXLOVFVYMPXQX-FQEVSTJZSA-N 0 0 457.470 4.544 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(F)(F)F ZINC001437443614 1065552894 /nfs/dbraw/zinc/55/28/94/1065552894.db2.gz PSHARXIDHYMDBR-OAHLLOKOSA-N 0 0 459.877 4.663 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001437444900 1065552999 /nfs/dbraw/zinc/55/29/99/1065552999.db2.gz VDLTUWHGFKONFE-SIKLNZKXSA-N 0 0 458.599 4.626 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1)c1nccs1 ZINC001360563766 1065553868 /nfs/dbraw/zinc/55/38/68/1065553868.db2.gz METYMRYGFZUPQA-SQNIBIBYSA-N 0 0 492.715 4.595 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001360563972 1065554364 /nfs/dbraw/zinc/55/43/64/1065554364.db2.gz NFBBMXUGOQMDSB-OALUTQOASA-N 0 0 460.594 4.563 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1)Oc1cccc(F)c1 ZINC001360564248 1065554860 /nfs/dbraw/zinc/55/48/60/1065554860.db2.gz MWNWCCBWJLYUPC-HUUCEWRRSA-N 0 0 495.418 4.849 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)[C@@H]2CCCC[C@H]12 ZINC001437459457 1065555450 /nfs/dbraw/zinc/55/54/50/1065555450.db2.gz RKRKMXKTOLMVPW-TXTKFYIRSA-N 0 0 458.002 4.574 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)[C@@H]2CCCC[C@H]12 ZINC001437460646 1065555463 /nfs/dbraw/zinc/55/54/63/1065555463.db2.gz WMXOGFFNNPHTJC-JFIYKMOQSA-N 0 0 451.489 4.830 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)CC1)Oc1ccccc1F ZINC001360564470 1065555710 /nfs/dbraw/zinc/55/57/10/1065555710.db2.gz PVJKBLSJQSEUIE-JKSUJKDBSA-N 0 0 456.484 4.557 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1nccc(C)c1C1CC1)C2 ZINC001437464446 1065555936 /nfs/dbraw/zinc/55/59/36/1065555936.db2.gz JCHRVPNLABUNKR-SFHVURJKSA-N 0 0 453.539 4.590 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)n1 ZINC001437464578 1065556075 /nfs/dbraw/zinc/55/60/75/1065556075.db2.gz XBGQQESOWSJAEI-GOSISDBHSA-N 0 0 458.381 4.670 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001437462196 1065556111 /nfs/dbraw/zinc/55/61/11/1065556111.db2.gz MXGZGIOATNSTQM-SFTDATJTSA-N 0 0 457.393 4.817 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C)Oc1ccccc1F ZINC001360565604 1065556197 /nfs/dbraw/zinc/55/61/97/1065556197.db2.gz YRNQOTCXYNPXQJ-ZCNNSNEGSA-N 0 0 487.620 4.988 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001437467500 1065556626 /nfs/dbraw/zinc/55/66/26/1065556626.db2.gz HAEIGPGWXVKMJM-HXUWFJFHSA-N 0 0 451.792 4.855 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1nnn(-c2cccc(C)c2)c1C)c1nc(C)c(C(=O)OCC)s1 ZINC001360566205 1065556659 /nfs/dbraw/zinc/55/66/59/1065556659.db2.gz FDONGNKOZYJWDY-OAHLLOKOSA-N 0 0 455.584 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cnc(F)c(Br)c2)c2ccccc21 ZINC001360566262 1065556696 /nfs/dbraw/zinc/55/66/96/1065556696.db2.gz HSZJCUGDDPQWCJ-UHFFFAOYSA-N 0 0 450.308 4.775 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccsc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360565789 1065556741 /nfs/dbraw/zinc/55/67/41/1065556741.db2.gz ZVYZPBGTULSJBZ-AZUAARDMSA-N 0 0 489.686 4.873 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)C1 ZINC001437468205 1065557056 /nfs/dbraw/zinc/55/70/56/1065557056.db2.gz TXMJDSLZPRBCPE-ZVWUFJHRSA-N 0 0 473.669 4.607 20 0 JJADRN Cc1csc(=O)n1CCC(=O)O[C@@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC001437468800 1065557071 /nfs/dbraw/zinc/55/70/71/1065557071.db2.gz XDFXVKBIGJMHRT-ZDUSSCGKSA-N 0 0 458.683 4.871 20 0 JJADRN COCCOc1ccc(CC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001437473848 1065558014 /nfs/dbraw/zinc/55/80/14/1065558014.db2.gz UCIOGJYVIXURJW-HSZRJFAPSA-N 0 0 451.485 4.777 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC001437473960 1065558048 /nfs/dbraw/zinc/55/80/48/1065558048.db2.gz UXNXUQNEYFHJDB-NQIIRXRSSA-N 0 0 454.514 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001545907130 1065558168 /nfs/dbraw/zinc/55/81/68/1065558168.db2.gz AUUXILFFGHGOQH-KRWDZBQOSA-N 0 0 499.603 4.707 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001360567395 1065558436 /nfs/dbraw/zinc/55/84/36/1065558436.db2.gz YCQOWAKKDLVTQR-UHFFFAOYSA-N 0 0 455.376 4.709 20 0 JJADRN C[C@H](CSC(F)(F)F)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001360567425 1065558515 /nfs/dbraw/zinc/55/85/15/1065558515.db2.gz HAWOMPBGMATWFJ-LLVKDONJSA-N 0 0 453.324 4.515 20 0 JJADRN Cn1c(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1 ZINC001437474033 1065558541 /nfs/dbraw/zinc/55/85/41/1065558541.db2.gz VGKVJDGNOQJKAN-QHCPKHFHSA-N 0 0 458.484 4.547 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)NCCc1ccc(I)s1 ZINC001360567585 1065559082 /nfs/dbraw/zinc/55/90/82/1065559082.db2.gz MBRKIYWWQAWFDY-UHFFFAOYSA-N 0 0 454.358 4.757 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cc(F)cc3ccncc32)CC1 ZINC001360567617 1065559153 /nfs/dbraw/zinc/55/91/53/1065559153.db2.gz NRSCABYQYGDHAZ-UHFFFAOYSA-N 0 0 456.315 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)CSCc2coc(-c3ccccc3)n2)C2CCC2)C1 ZINC001437475758 1065559357 /nfs/dbraw/zinc/55/93/57/1065559357.db2.gz CJINYFZVPSYUER-UHFFFAOYSA-N 0 0 457.596 4.575 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001360568075 1065559634 /nfs/dbraw/zinc/55/96/34/1065559634.db2.gz BJDVVDJJSOYFIT-WOJBJXKFSA-N 0 0 487.664 4.850 20 0 JJADRN CCC[C@@H](C)N(C(=O)[C@@H](C)Cc1cnc2ccccc2n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360568259 1065560050 /nfs/dbraw/zinc/56/00/50/1065560050.db2.gz BEWGAXTZDUGQPK-JKSUJKDBSA-N 0 0 454.596 4.972 20 0 JJADRN CCCc1c(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cnn1-c1ccccc1 ZINC001437479231 1065560249 /nfs/dbraw/zinc/56/02/49/1065560249.db2.gz VFXCMIBRIBTPMJ-UHFFFAOYSA-N 0 0 453.384 4.550 20 0 JJADRN CCC[C@H](C)N(C(=O)[C@H](C)Cc1cnc2ccccc2n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360568249 1065560136 /nfs/dbraw/zinc/56/01/36/1065560136.db2.gz BEWGAXTZDUGQPK-CVEARBPZSA-N 0 0 454.596 4.972 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)Oc1cccc(F)c1 ZINC001360568372 1065560197 /nfs/dbraw/zinc/56/01/97/1065560197.db2.gz CFMQHUYHAYXNMR-LAUBAEHRSA-N 0 0 454.594 4.721 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccc(F)cc1 ZINC001360568705 1065560561 /nfs/dbraw/zinc/56/05/61/1065560561.db2.gz FQMVDNXNQPUPEX-GOSISDBHSA-N 0 0 454.569 4.670 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001437482466 1065560565 /nfs/dbraw/zinc/56/05/65/1065560565.db2.gz ZDRNPTBLXJJGQB-MOPGFXCFSA-N 0 0 452.576 4.568 20 0 JJADRN O=C(Nc1ccc(I)cc1F)c1cnc(Cc2ccc(F)cc2)s1 ZINC001437487425 1065561326 /nfs/dbraw/zinc/56/13/26/1065561326.db2.gz DYISFUYXKIMMKU-UHFFFAOYSA-N 0 0 456.255 4.869 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)s2)nn1)N1CCCC1 ZINC001437490214 1065561793 /nfs/dbraw/zinc/56/17/93/1065561793.db2.gz PTESSCDHVYEYAL-UHFFFAOYSA-N 0 0 458.996 4.825 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)Nc2ccc(I)cc2F)co1 ZINC001437490052 1065561803 /nfs/dbraw/zinc/56/18/03/1065561803.db2.gz WRFYQNXSGYKZDQ-FNORWQNLSA-N 0 0 457.239 4.631 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(I)cc2F)c1 ZINC001437489167 1065561849 /nfs/dbraw/zinc/56/18/49/1065561849.db2.gz QSWCISKVBRWBPU-IBGZPJMESA-N 0 0 452.311 4.732 20 0 JJADRN CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1Cl ZINC001437496699 1065562563 /nfs/dbraw/zinc/56/25/63/1065562563.db2.gz UPSIFDCBMPFQCX-OAHLLOKOSA-N 0 0 458.704 4.654 20 0 JJADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 ZINC001360569485 1065562538 /nfs/dbraw/zinc/56/25/38/1065562538.db2.gz KODXHUYPIVKNTK-WOJBJXKFSA-N 0 0 490.092 4.976 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360569678 1065562559 /nfs/dbraw/zinc/56/25/59/1065562559.db2.gz IZNFLSQTKBDXPF-QZTJIDSGSA-N 0 0 476.691 4.820 20 0 JJADRN C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360570142 1065563280 /nfs/dbraw/zinc/56/32/80/1065563280.db2.gz OVOKQACGMUJBFH-HOTGVXAUSA-N 0 0 499.553 4.884 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1 ZINC001437502447 1065563707 /nfs/dbraw/zinc/56/37/07/1065563707.db2.gz HUXMLMDZLWACCZ-VUEDXXQZSA-N 0 0 457.368 4.646 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC001437504272 1065563783 /nfs/dbraw/zinc/56/37/83/1065563783.db2.gz JJTATNOXZSGJBS-ORAYPTAESA-N 0 0 458.274 4.835 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1)N(C)C(=O)OC(C)(C)C ZINC001360570394 1065563905 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DBEQUUXGIOSADQ-FQEVSTJZSA-N 0 0 496.631 4.727 20 0 JJADRN C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC=C(Br)C1)c1nccs1 ZINC001360573194 1065566895 /nfs/dbraw/zinc/56/68/95/1065566895.db2.gz HFFRJAFAKUAMFQ-AWEZNQCLSA-N 0 0 462.392 4.757 20 0 JJADRN CN(C)C(=O)[C@](C)(NC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C)C(F)(F)F ZINC001437526290 1065567150 /nfs/dbraw/zinc/56/71/50/1065567150.db2.gz JGYVENXMLDNWMP-WXXMWFLVSA-N 0 0 451.316 4.717 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1C(F)(F)F ZINC001437525448 1065567169 /nfs/dbraw/zinc/56/71/69/1065567169.db2.gz QNAYWTURLKWAFR-DOTOQJQBSA-N 0 0 450.423 4.809 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1)c1nccs1 ZINC001360573321 1065567229 /nfs/dbraw/zinc/56/72/29/1065567229.db2.gz JWTHVJXKZUYBFU-OAHLLOKOSA-N 0 0 450.534 4.693 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360573532 1065567308 /nfs/dbraw/zinc/56/73/08/1065567308.db2.gz NONRFGBVPZTDJV-RBUKOAKNSA-N 0 0 494.615 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C[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001360577368 1065572371 /nfs/dbraw/zinc/57/23/71/1065572371.db2.gz BCGNANALDRAWIB-SFHVURJKSA-N 0 0 487.620 4.721 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1 ZINC001437553071 1065572656 /nfs/dbraw/zinc/57/26/56/1065572656.db2.gz XNOBKVCUXKWVBF-UHFFFAOYSA-N 0 0 454.527 4.916 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CC(F)(F)C(F)(F)F)cc1 ZINC001437552691 1065572671 /nfs/dbraw/zinc/57/26/71/1065572671.db2.gz AHTXCICZJIABCP-IRXDYDNUSA-N 0 0 480.474 4.882 20 0 JJADRN CO[C@](C)(CNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001437554174 1065572975 /nfs/dbraw/zinc/57/29/75/1065572975.db2.gz NZYKGNZLSCOMGV-XTEPFMGCSA-N 0 0 457.574 4.732 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC001437554241 1065573157 /nfs/dbraw/zinc/57/31/57/1065573157.db2.gz DIHMYLLNUUAHGU-XJABCFGWSA-N 0 0 472.557 4.511 20 0 JJADRN 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C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC1CC(F)(F)C1)N(C)C(=O)OC(C)(C)C ZINC001360578977 1065575021 /nfs/dbraw/zinc/57/50/21/1065575021.db2.gz ONSZMNWMECRVSP-INIZCTEOSA-N 0 0 455.594 4.748 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579000 1065575188 /nfs/dbraw/zinc/57/51/88/1065575188.db2.gz OSWDMBOLWPYKSY-FPOVZHCZSA-N 0 0 469.699 4.790 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360579070 1065575238 /nfs/dbraw/zinc/57/52/38/1065575238.db2.gz PQLMGQQKNBZFPG-NFBKMPQASA-N 0 0 483.657 4.544 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360579072 1065575308 /nfs/dbraw/zinc/57/53/08/1065575308.db2.gz PQLMGQQKNBZFPG-NZQKXSOJSA-N 0 0 483.657 4.544 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360579186 1065575560 /nfs/dbraw/zinc/57/55/60/1065575560.db2.gz PRKPAXSSCQBXLA-UYAOXDASSA-N 0 0 491.702 4.970 20 0 JJADRN 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C[C@@H](Cn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)Oc1ccccc1 ZINC001360579745 1065576939 /nfs/dbraw/zinc/57/69/39/1065576939.db2.gz XAVLALWSZYRVDG-FQEVSTJZSA-N 0 0 483.657 4.781 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@H](C)c1nccs1 ZINC001360579858 1065576998 /nfs/dbraw/zinc/57/69/98/1065576998.db2.gz XNEMTYRXMKOYDZ-VQTJNVASSA-N 0 0 480.682 4.927 20 0 JJADRN C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CCC(F)F)c1nc(-c2ccccc2)no1 ZINC001360580116 1065577567 /nfs/dbraw/zinc/57/75/67/1065577567.db2.gz YUNNOBRDRCKVCZ-HNNXBMFYSA-N 0 0 458.538 4.876 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC001437567067 1065578333 /nfs/dbraw/zinc/57/83/33/1065578333.db2.gz POJFHJXXGKQDKU-DIFFPNOSSA-N 0 0 459.167 4.965 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)ccn1 ZINC001360580765 1065578407 /nfs/dbraw/zinc/57/84/07/1065578407.db2.gz KZGFHZRDQMGUNM-MRXNPFEDSA-N 0 0 453.974 4.937 20 0 JJADRN 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C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CC=CCC1)N(C)c1ccccc1 ZINC001360583596 1065581446 /nfs/dbraw/zinc/58/14/46/1065581446.db2.gz GUJSZJCLNJQPPF-NHCUHLMSSA-N 0 0 478.666 4.587 20 0 JJADRN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001437585423 1065581842 /nfs/dbraw/zinc/58/18/42/1065581842.db2.gz JTXDJACSZHQZED-CQSZACIVSA-N 0 0 452.308 4.619 20 0 JJADRN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001437585417 1065581859 /nfs/dbraw/zinc/58/18/59/1065581859.db2.gz JTXDJACSZHQZED-AWEZNQCLSA-N 0 0 452.308 4.619 20 0 JJADRN C[C@H](CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1ccc(F)cc1)c1nccs1 ZINC001360583613 1065581896 /nfs/dbraw/zinc/58/18/96/1065581896.db2.gz HANUNQFTKYXBNU-DLBZAZTESA-N 0 0 498.653 4.909 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](C)C1)c1ccc(F)cc1 ZINC001360583610 1065581965 /nfs/dbraw/zinc/58/19/65/1065581965.db2.gz GZIGXJOFKFJSQA-KZNAEPCWSA-N 0 0 455.603 4.695 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCc1ccc(F)c(F)c1F ZINC001545907929 1065583003 /nfs/dbraw/zinc/58/30/03/1065583003.db2.gz UQEIZVIKZNBVPH-KXBFYZLASA-N 0 0 463.548 4.625 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(Nc3cccc(OC(F)(F)F)c3)cn1)CO2 ZINC001437597542 1065583611 /nfs/dbraw/zinc/58/36/11/1065583611.db2.gz CRUBFCLXQPKHTR-OAHLLOKOSA-N 0 0 459.424 4.922 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360584244 1065583565 /nfs/dbraw/zinc/58/35/65/1065583565.db2.gz UITFUXORIPKEHB-ZWKOTPCHSA-N 0 0 485.629 4.749 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Sc2ccccc2)C1 ZINC001360584305 1065583658 /nfs/dbraw/zinc/58/36/58/1065583658.db2.gz VEBVAACLVCMMKQ-MOPGFXCFSA-N 0 0 469.680 4.933 20 0 JJADRN Cc1cnn(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001437600006 1065583662 /nfs/dbraw/zinc/58/36/62/1065583662.db2.gz RCNREWSPDNBAFR-UHFFFAOYSA-N 0 0 453.399 4.681 20 0 JJADRN C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCCCC1)N1CCOCC1 ZINC001360584280 1065583783 /nfs/dbraw/zinc/58/37/83/1065583783.db2.gz UPIHRCMEVNROTM-OAQYLSRUSA-N 0 0 469.674 4.644 20 0 JJADRN O=C(CCNC(=O)C1CCCCC1)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001437606681 1065584107 /nfs/dbraw/zinc/58/41/07/1065584107.db2.gz ZZRBQAQFSYRQJA-UHFFFAOYSA-N 0 0 450.461 4.749 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001545908125 1065584586 /nfs/dbraw/zinc/58/45/86/1065584586.db2.gz YQWQAEHYDHZQLB-UHFFFAOYSA-N 0 0 468.646 4.610 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C ZINC001437608218 1065584698 /nfs/dbraw/zinc/58/46/98/1065584698.db2.gz VOYBRIQLPFOWBQ-UHFFFAOYSA-N 0 0 458.360 4.644 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC001437607557 1065584715 /nfs/dbraw/zinc/58/47/15/1065584715.db2.gz QAPHNFUSVZRZQK-UHFFFAOYSA-N 0 0 459.344 4.735 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 ZINC001437610471 1065584916 /nfs/dbraw/zinc/58/49/16/1065584916.db2.gz SREKSZNGDJXHHH-UHFFFAOYSA-N 0 0 458.586 4.701 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001360585717 1065585469 /nfs/dbraw/zinc/58/54/69/1065585469.db2.gz PXHUMBBQDAKEKC-ZDUSSCGKSA-N 0 0 456.167 4.734 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)c(C(C)(C)C)n2)cc1 ZINC001360585345 1065585482 /nfs/dbraw/zinc/58/54/82/1065585482.db2.gz ZWNMJXSWKCMQLX-NRFANRHFSA-N 0 0 450.970 4.667 20 0 JJADRN C[C@@H](Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360586078 1065585979 /nfs/dbraw/zinc/58/59/79/1065585979.db2.gz AGFREXHTWIKAJR-KRWDZBQOSA-N 0 0 472.996 4.557 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001360585984 1065586036 /nfs/dbraw/zinc/58/60/36/1065586036.db2.gz AEZXXPCTMAHRFY-FIRLOTFOSA-N 0 0 487.620 4.890 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H]1c1cccc(C)c1 ZINC001437635101 1065586508 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/nfs/dbraw/zinc/58/72/68/1065587268.db2.gz FQISZTHKABFXKU-QSUZLTIMSA-N 0 0 487.620 4.605 20 0 JJADRN C[C@@H](Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001360586574 1065587409 /nfs/dbraw/zinc/58/74/09/1065587409.db2.gz GTDLZYUROBMJOK-KRWDZBQOSA-N 0 0 469.630 4.979 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)c3csc(-c4ccc(Cl)cc4)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001437644394 1065587678 /nfs/dbraw/zinc/58/76/78/1065587678.db2.gz OMHVGJVZBOEFFY-ZHRRBRCNSA-N 0 0 471.026 4.920 20 0 JJADRN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001545908403 1065588253 /nfs/dbraw/zinc/58/82/53/1065588253.db2.gz GMWXXBDOBNWCAD-XCYUPCBOSA-N 0 0 470.560 4.998 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)CCS1 ZINC001360587309 1065588353 /nfs/dbraw/zinc/58/83/53/1065588353.db2.gz LZVHDHPVLQAPSQ-VQIMIIECSA-N 0 0 461.632 4.834 20 0 JJADRN C[C@@H](Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360587761 1065589839 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UTMSBBWUAUWUKS-PMACEKPBSA-N 0 0 458.672 4.778 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)cc2)C1 ZINC001437685515 1065590798 /nfs/dbraw/zinc/59/07/98/1065590798.db2.gz IAOGJWLGPUTHIT-CZJMCEMMSA-N 0 0 456.583 4.719 20 0 JJADRN CCN(C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccc(N2CCOCC2)cc1 ZINC001437679371 1065591060 /nfs/dbraw/zinc/59/10/60/1065591060.db2.gz NLGQRYJDXULLMW-UHFFFAOYSA-N 0 0 451.592 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cnc([C@H]4CCCO4)s3)cc2)C1 ZINC001437688437 1065591469 /nfs/dbraw/zinc/59/14/69/1065591469.db2.gz UVZICKCZXWLKBL-MSOLQXFVSA-N 0 0 459.568 4.555 20 0 JJADRN C[C@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001545908770 1065591582 /nfs/dbraw/zinc/59/15/82/1065591582.db2.gz NTAYBWAYEWIZKA-PPHZAIPVSA-N 0 0 459.542 4.678 20 0 JJADRN C[C@H](COCC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001437689990 1065592059 /nfs/dbraw/zinc/59/20/59/1065592059.db2.gz YZDKILNUEHBCJE-XXBNENTESA-N 0 0 454.567 4.754 20 0 JJADRN COc1ccc(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c(C)c1OC ZINC001437689228 1065592199 /nfs/dbraw/zinc/59/21/99/1065592199.db2.gz YDBZAKAHFLDZSE-OAQYLSRUSA-N 0 0 456.539 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C12CCC2 ZINC001437693360 1065592659 /nfs/dbraw/zinc/59/26/59/1065592659.db2.gz GMJJGJMFMVXLBD-RYRKJORJSA-N 0 0 454.489 4.737 20 0 JJADRN C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)Oc1ccccc1 ZINC001360588582 1065592707 /nfs/dbraw/zinc/59/27/07/1065592707.db2.gz ZEXKRQJYUGNEEB-JAXLGGSGSA-N 0 0 492.624 4.548 20 0 JJADRN C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588588 1065592717 /nfs/dbraw/zinc/59/27/17/1065592717.db2.gz ZJVFOGQKHIKZKD-KRWDZBQOSA-N 0 0 461.582 4.630 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1F ZINC001360588641 1065592729 /nfs/dbraw/zinc/59/27/29/1065592729.db2.gz ASICHROIQDIYNP-INIZCTEOSA-N 0 0 454.523 4.736 20 0 JJADRN C[C@@H](Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588598 1065592804 /nfs/dbraw/zinc/59/28/04/1065592804.db2.gz ZOSFGSIEVKSLSJ-FQEVSTJZSA-N 0 0 473.662 4.874 20 0 JJADRN Cc1c(NC(=O)c2ccc(Cl)c(Br)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588825 1065593166 /nfs/dbraw/zinc/59/31/66/1065593166.db2.gz GSOGBXBPDYZXBO-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN Cc1c(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588757 1065593418 /nfs/dbraw/zinc/59/34/18/1065593418.db2.gz FEOWZZOZJVSQQX-UHFFFAOYSA-N 0 0 453.564 4.857 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360590004 1065594346 /nfs/dbraw/zinc/59/43/46/1065594346.db2.gz BLRDKEWMOCXYGV-FCGDIQPGSA-N 0 0 490.674 4.519 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360589985 1065594520 /nfs/dbraw/zinc/59/45/20/1065594520.db2.gz BHZAYXKBGWTHLQ-IEBWSBKVSA-N 0 0 463.648 4.862 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)Oc1ccccc1 ZINC001360590326 1065594895 /nfs/dbraw/zinc/59/48/95/1065594895.db2.gz HLQKOCMUWIORPU-HKUYNNGSSA-N 0 0 479.572 4.909 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1 ZINC001360590353 1065595007 /nfs/dbraw/zinc/59/50/07/1065595007.db2.gz IBDCBUMWOCZDLI-SFGWALBWSA-N 0 0 487.048 4.688 20 0 JJADRN C[C@@H](Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)s1)c1nccs1 ZINC001360590304 1065595149 /nfs/dbraw/zinc/59/51/49/1065595149.db2.gz HCZHULAKHRWTNK-JTQLQIEISA-N 0 0 450.391 4.506 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C)c1nccs1 ZINC001360590479 1065595611 /nfs/dbraw/zinc/59/56/11/1065595611.db2.gz KBWNLRLDVZWYGJ-SJORKVTESA-N 0 0 460.648 4.989 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360590502 1065595658 /nfs/dbraw/zinc/59/56/58/1065595658.db2.gz KJKUYLQHRCNUAZ-PZJWPPBQSA-N 0 0 469.630 4.817 20 0 JJADRN CCc1nc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)nn1-c1c(Cl)cccc1Cl ZINC001437731247 1065596507 /nfs/dbraw/zinc/59/65/07/1065596507.db2.gz VUFMVEOCEOCKLK-HZPDHXFCSA-N 0 0 451.398 4.993 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)c1nccs1 ZINC001360590798 1065596853 /nfs/dbraw/zinc/59/68/53/1065596853.db2.gz QRNWPWKMEHKJJR-BZSNNMDCSA-N 0 0 490.674 4.614 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cc(I)c(F)cc1F ZINC001437733668 1065596974 /nfs/dbraw/zinc/59/69/74/1065596974.db2.gz GPNSEELAQJDFSJ-HNNXBMFYSA-N 0 0 451.201 4.566 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C)Oc1ccccc1 ZINC001360590954 1065597368 /nfs/dbraw/zinc/59/73/68/1065597368.db2.gz TXAFBCFNGMIHDL-DYXWJJEUSA-N 0 0 487.670 4.759 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C)c1ccc(F)cc1 ZINC001360590951 1065597408 /nfs/dbraw/zinc/59/74/08/1065597408.db2.gz TWKARQZTGNUIIN-WFXMLNOXSA-N 0 0 473.593 4.518 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C)Oc1ccccc1 ZINC001360590955 1065597547 /nfs/dbraw/zinc/59/75/47/1065597547.db2.gz TXAFBCFNGMIHDL-SBHAEUEKSA-N 0 0 487.670 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCOC[C@H]3c3cc(F)cc(F)c3)ccc21 ZINC001437739129 1065597788 /nfs/dbraw/zinc/59/77/88/1065597788.db2.gz ZSPYFOVXFWMDKN-QFIPXVFZSA-N 0 0 458.505 4.866 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c1)c1ccco1 ZINC001437738955 1065597822 /nfs/dbraw/zinc/59/78/22/1065597822.db2.gz YUKLGZSXHIJMNY-LJQANCHMSA-N 0 0 455.308 4.508 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC(C)(C)C)N(C)c1ccccc1 ZINC001360591153 1065597859 /nfs/dbraw/zinc/59/78/59/1065597859.db2.gz XXMJZUMTFKZXHL-YMPZKCBVSA-N 0 0 471.690 4.973 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1)c1ccccc1 ZINC001360591108 1065597879 /nfs/dbraw/zinc/59/78/79/1065597879.db2.gz WZMHMEKWKULOQV-NQIIRXRSSA-N 0 0 466.586 4.778 20 0 JJADRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001437745483 1065598831 /nfs/dbraw/zinc/59/88/31/1065598831.db2.gz MBRHIIADWOYPLO-OAHLLOKOSA-N 0 0 450.201 4.960 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCOC[C@@H]3c3cccc(F)c3)cc2)c(C)c1Br ZINC001437745344 1065598862 /nfs/dbraw/zinc/59/88/62/1065598862.db2.gz KJUWWAMPJOSBSC-HXUWFJFHSA-N 0 0 458.331 4.604 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001437744471 1065598933 /nfs/dbraw/zinc/59/89/33/1065598933.db2.gz OQPQCQOUBOLCCN-GOTSBHOMSA-N 0 0 456.558 4.845 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC001437744435 1065598961 /nfs/dbraw/zinc/59/89/61/1065598961.db2.gz JLMRZMNLOISJMJ-JOCHJYFZSA-N 0 0 456.970 4.762 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001437747239 1065599316 /nfs/dbraw/zinc/59/93/16/1065599316.db2.gz QHLCSDUAUJPDIX-IBGZPJMESA-N 0 0 451.281 4.913 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1c(F)cccc1I ZINC001437746052 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VWPNCRCUJORRCY-UHFFFAOYSA-N 0 0 450.604 4.996 20 0 JJADRN O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCc2sc(Br)cc2C1 ZINC001437755663 1065602241 /nfs/dbraw/zinc/60/22/41/1065602241.db2.gz WMTNPIJQOKUCGF-UHFFFAOYSA-N 0 0 451.386 4.824 20 0 JJADRN COCc1csc(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC001437771079 1065603764 /nfs/dbraw/zinc/60/37/64/1065603764.db2.gz MYPYHOIZSOXJRW-UHFFFAOYSA-N 0 0 457.392 4.707 20 0 JJADRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1ccc(CN2CCCCC2=O)cc1 ZINC001437774886 1065604607 /nfs/dbraw/zinc/60/46/07/1065604607.db2.gz CDZZUPVOSKJWTF-UHFFFAOYSA-N 0 0 455.396 4.714 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CCOC2)c1ccc(C(F)(F)F)cc1 ZINC001437778800 1065605314 /nfs/dbraw/zinc/60/53/14/1065605314.db2.gz VCVQQLQSWTZTAV-LJQANCHMSA-N 0 0 450.457 4.983 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCCc2nc(C(C)(C)C)no2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437788872 1065606178 /nfs/dbraw/zinc/60/61/78/1065606178.db2.gz ADGZQXLREQAVFF-QZTJIDSGSA-N 0 0 450.624 4.622 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2cc(Cl)ccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437788963 1065606222 /nfs/dbraw/zinc/60/62/22/1065606222.db2.gz AOEYXHWYSQLQOB-CJNGLKHVSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437790522 1065606811 /nfs/dbraw/zinc/60/68/11/1065606811.db2.gz GBJGGTAIYIWGJN-DENIHFKCSA-N 0 0 473.658 4.895 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1F ZINC001437791239 1065607788 /nfs/dbraw/zinc/60/77/88/1065607788.db2.gz GUQGKQCKRHSQAN-KRWDZBQOSA-N 0 0 459.477 4.871 20 0 JJADRN Cc1ccc(NC(=O)/C=C\c2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C ZINC001360595905 1065608270 /nfs/dbraw/zinc/60/82/70/1065608270.db2.gz KABVKMXNCFCIFK-BENRWUELSA-N 0 0 456.486 4.622 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCOc1cc(Cl)ccc1Cl ZINC001360595795 1065608343 /nfs/dbraw/zinc/60/83/43/1065608343.db2.gz GPUDWXGEXQBYKI-SFHVURJKSA-N 0 0 451.350 4.709 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001437795232 1065609278 /nfs/dbraw/zinc/60/92/78/1065609278.db2.gz CCYAHNQXCVGSHD-OXQOHEQNSA-N 0 0 466.456 4.834 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cn2nc(C(F)F)cc2C2CC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437795865 1065609363 /nfs/dbraw/zinc/60/93/63/1065609363.db2.gz WNXJMBKPKRFKCQ-CRAIPNDOSA-N 0 0 454.562 4.630 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)cc1F ZINC001437797924 1065609933 /nfs/dbraw/zinc/60/99/33/1065609933.db2.gz RUFOSBPCUDPHNK-MRXNPFEDSA-N 0 0 459.477 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC1(CC)CCCC1 ZINC001545909572 1065610006 /nfs/dbraw/zinc/61/00/06/1065610006.db2.gz LMLFZEVYBQHVFR-UHFFFAOYSA-N 0 0 494.684 4.519 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1F ZINC001437800194 1065610893 /nfs/dbraw/zinc/61/08/93/1065610893.db2.gz YBUQKRDUCWAPAR-KRWDZBQOSA-N 0 0 459.477 4.871 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)O2)ccc1OCc1ccc(Br)s1 ZINC001437801036 1065611715 /nfs/dbraw/zinc/61/17/15/1065611715.db2.gz RBEOVPRULXVGOY-ZFWWWQNUSA-N 0 0 454.386 4.786 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCC[C@H](C)O2)ccc1OCc1ccc(Br)s1 ZINC001437801024 1065611843 /nfs/dbraw/zinc/61/18/43/1065611843.db2.gz RBEOVPRULXVGOY-DZGCQCFKSA-N 0 0 454.386 4.786 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001437804266 1065612646 /nfs/dbraw/zinc/61/26/46/1065612646.db2.gz VSVPZCMIXKYAPT-QFIPXVFZSA-N 0 0 454.368 4.887 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CCN1C(=O)OC(C)(C)C ZINC001437812659 1065612728 /nfs/dbraw/zinc/61/27/28/1065612728.db2.gz BPKZUXVZWGHUKJ-DOPJRALCSA-N 0 0 457.384 4.671 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CCN1C(=O)OC(C)(C)C ZINC001437813997 1065613137 /nfs/dbraw/zinc/61/31/37/1065613137.db2.gz IGJDUFAMHXSTHF-DLBZAZTESA-N 0 0 461.653 4.846 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc3c(cncc3Br)s2)CCN1C(=O)OC(C)(C)C ZINC001437813801 1065613158 /nfs/dbraw/zinc/61/31/58/1065613158.db2.gz GGALGYGZEBONSH-UONOGXRCSA-N 0 0 454.390 4.577 20 0 JJADRN COC(=O)[C@]1(NC(=O)CCc2ccc(C(C)C)cc2)CCc2cc(Br)ccc2C1 ZINC001437814427 1065614215 /nfs/dbraw/zinc/61/42/15/1065614215.db2.gz JKQSTBZXZLGNSP-DEOSSOPVSA-N 0 0 458.396 4.722 20 0 JJADRN CN(CCOCCNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)OC(C)(C)C ZINC001437822212 1065615655 /nfs/dbraw/zinc/61/56/55/1065615655.db2.gz WHWJVBUIIJZTSL-UHFFFAOYSA-N 0 0 456.461 4.579 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001437835616 1065616778 /nfs/dbraw/zinc/61/67/78/1065616778.db2.gz FNSRDCRVTSFMIQ-BULFRSBZSA-N 0 0 458.986 4.937 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC001437839270 1065617555 /nfs/dbraw/zinc/61/75/55/1065617555.db2.gz OSEOCMVJFORLGA-LHSJRXKWSA-N 0 0 476.023 4.570 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC001437847933 1065618920 /nfs/dbraw/zinc/61/89/20/1065618920.db2.gz SWZZMKZMYUAOJA-GOSISDBHSA-N 0 0 453.930 4.685 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)Nc2cc(Br)ccc2OC(C)C)C(F)(F)F)o1 ZINC001545910105 1065619062 /nfs/dbraw/zinc/61/90/62/1065619062.db2.gz HGGGUYYUDYQTQV-KRWDZBQOSA-N 0 0 450.251 4.916 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)c1 ZINC001437845281 1065619195 /nfs/dbraw/zinc/61/91/95/1065619195.db2.gz QAKDKAGQDCXOQO-IUKKYPGJSA-N 0 0 477.026 4.505 20 0 JJADRN CCOc1cncc(COC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 ZINC001437866100 1065621515 /nfs/dbraw/zinc/62/15/15/1065621515.db2.gz UNQFIQKNIMFSQC-UHFFFAOYSA-N 0 0 453.335 4.720 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)N1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC001437868141 1065621532 /nfs/dbraw/zinc/62/15/32/1065621532.db2.gz BIEISKLCKMSJMC-KRWDZBQOSA-N 0 0 454.564 4.776 20 0 JJADRN CC1(C)CO[C@@H](CCC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001360601160 1065622982 /nfs/dbraw/zinc/62/29/82/1065622982.db2.gz 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GQJYGVGFMDDXQZ-UHFFFAOYSA-N 0 0 456.593 4.704 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)cc2)cc1 ZINC001360706849 1065743077 /nfs/dbraw/zinc/74/30/77/1065743077.db2.gz OWGZELBDYUYGAL-SQJMNOBHSA-N 0 0 456.586 4.881 20 0 JJADRN C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360711416 1065743766 /nfs/dbraw/zinc/74/37/66/1065743766.db2.gz FYBWKOUBIKWRKQ-GAJHUEQPSA-N 0 0 458.480 4.985 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC001438686658 1065743989 /nfs/dbraw/zinc/74/39/89/1065743989.db2.gz NMSJABRPWJONTP-UHFFFAOYSA-N 0 0 453.720 4.721 20 0 JJADRN COC[C@@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1cccc(Br)c1 ZINC001438687053 1065744111 /nfs/dbraw/zinc/74/41/11/1065744111.db2.gz QFQLNYLVUTYMNJ-JOCHJYFZSA-N 0 0 454.368 4.695 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)o1 ZINC001545917717 1065744448 /nfs/dbraw/zinc/74/44/48/1065744448.db2.gz RRIANVFJEFPDAC-GFCCVEGCSA-N 0 0 459.490 4.799 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3ccc(Cl)c(Cl)c3)ncn2Cc2ccccc2)nn1C ZINC001438692449 1065744461 /nfs/dbraw/zinc/74/44/61/1065744461.db2.gz PQCSTFBMNSFNBU-UHFFFAOYSA-N 0 0 456.333 4.900 20 0 JJADRN CC[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C(C)(C)c1ccccc1 ZINC001360717461 1065745642 /nfs/dbraw/zinc/74/56/42/1065745642.db2.gz NOZRHKCFWMYMIM-BYVYTNPCSA-N 0 0 455.643 4.776 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)n1C ZINC001360716656 1065745705 /nfs/dbraw/zinc/74/57/05/1065745705.db2.gz RHPFYXHHKFDBTO-VQTJNVASSA-N 0 0 453.384 4.966 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001360717176 1065745740 /nfs/dbraw/zinc/74/57/40/1065745740.db2.gz DIRJIDBDVBMEIN-MAUKXSAKSA-N 0 0 451.405 4.680 20 0 JJADRN Cc1cccc(Oc2cccc(NC(=O)c3cn([C@@H]4CCS(=O)(=O)C4)nc3C(C)C)c2)c1 ZINC001438710889 1065745689 /nfs/dbraw/zinc/74/56/89/1065745689.db2.gz AGQBIVOWSOPCAV-LJQANCHMSA-N 0 0 453.564 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001360717178 1065745789 /nfs/dbraw/zinc/74/57/89/1065745789.db2.gz DIRJIDBDVBMEIN-YJBOKZPZSA-N 0 0 451.405 4.680 20 0 JJADRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(C)(C)c1ccccc1 ZINC001360717684 1065746127 /nfs/dbraw/zinc/74/61/27/1065746127.db2.gz UQIVGLZFDDWTOH-SKPFHBQLSA-N 0 0 456.652 4.839 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CC1)[C@H]1COc2ccc(Br)cc21 ZINC001360717584 1065746139 /nfs/dbraw/zinc/74/61/39/1065746139.db2.gz RLFDGCYAMLPMGO-AWEZNQCLSA-N 0 0 451.158 4.536 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001360721474 1065747131 /nfs/dbraw/zinc/74/71/31/1065747131.db2.gz TUDZLXBLBXBXBF-UHFFFAOYSA-N 0 0 455.308 4.852 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC ZINC001360721437 1065747320 /nfs/dbraw/zinc/74/73/20/1065747320.db2.gz SCWOJJMYDBVKSF-CYBMUJFWSA-N 0 0 459.344 4.902 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(O)CCC2)CC1)C(F)(F)F ZINC001360721710 1065747332 /nfs/dbraw/zinc/74/73/32/1065747332.db2.gz BXTOZWCXINAKKF-HXUWFJFHSA-N 0 0 490.929 4.572 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(F)(F)CC2)CC1)C(F)(F)F ZINC001360721855 1065747616 /nfs/dbraw/zinc/74/76/16/1065747616.db2.gz GGJDZZMRQQNVNW-FXAWDEMLSA-N 0 0 480.522 4.875 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC001360721886 1065747791 /nfs/dbraw/zinc/74/77/91/1065747791.db2.gz GQJDTVWIOGOJFN-MGPUTAFESA-N 0 0 493.357 4.961 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(C3CC3)n2CCc2ccc(Br)cc2)CC1)C(F)(F)F ZINC001360722206 1065748133 /nfs/dbraw/zinc/74/81/33/1065748133.db2.gz LVYDEJLXABDRTP-HXUWFJFHSA-N 0 0 487.364 4.690 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CCC3)n2CCCOc2ccc(F)cc2)CC1)C(F)(F)F ZINC001360722052 1065748147 /nfs/dbraw/zinc/74/81/47/1065748147.db2.gz JCPOLABEDZISBI-QFIPXVFZSA-N 0 0 470.511 4.684 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CCC3)n2CCOc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC001360722109 1065748160 /nfs/dbraw/zinc/74/81/60/1065748160.db2.gz KBXWWMJOWOKGNS-NRFANRHFSA-N 0 0 490.929 4.947 20 0 JJADRN COCCC1(NC(=O)c2cc(C3CC3)nc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001438744797 1065748265 /nfs/dbraw/zinc/74/82/65/1065748265.db2.gz LWPBWTNLGOBBTL-UHFFFAOYSA-N 0 0 453.583 4.648 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC(F)F)CC1)C(F)(F)F ZINC001360722053 1065748366 /nfs/dbraw/zinc/74/83/66/1065748366.db2.gz JCVHBNRVLCRYEV-IBGZPJMESA-N 0 0 482.881 4.758 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)c1cnn(C(F)F)c1 ZINC001438744097 1065748503 /nfs/dbraw/zinc/74/85/03/1065748503.db2.gz MWNNARYZNGZZKW-UHFFFAOYSA-N 0 0 455.202 4.927 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3cccnc3)C3CCCC3)cs2)cc1OC ZINC001438746783 1065748795 /nfs/dbraw/zinc/74/87/95/1065748795.db2.gz UAUKDRXBMZBIPU-NRFANRHFSA-N 0 0 451.592 4.683 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CC3)n2Cc2sccc2Br)CC1)C(F)(F)F ZINC001360722481 1065749243 /nfs/dbraw/zinc/74/92/43/1065749243.db2.gz QHAZAMUEZOYMFC-KRWDZBQOSA-N 0 0 479.366 4.558 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC001438753182 1065749575 /nfs/dbraw/zinc/74/95/75/1065749575.db2.gz RWSGUGVPQOJPHA-IFMALSPDSA-N 0 0 458.599 4.703 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(C3CCC3)n2CCc2c(F)cccc2F)CC1)C(F)(F)F ZINC001360722606 1065749782 /nfs/dbraw/zinc/74/97/82/1065749782.db2.gz SGRLEBFEEFFQJQ-OAQYLSRUSA-N 0 0 458.475 4.596 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001360722757 1065749847 /nfs/dbraw/zinc/74/98/47/1065749847.db2.gz VZCXATDRZQUJKF-ORAYPTAESA-N 0 0 493.908 4.959 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)CC1)C(F)(F)F ZINC001360722777 1065749889 /nfs/dbraw/zinc/74/98/89/1065749889.db2.gz WMWLHLRSTFSYHR-DENIHFKCSA-N 0 0 486.966 4.621 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC001438756386 1065749941 /nfs/dbraw/zinc/74/99/41/1065749941.db2.gz ZRTDEBGGGWBJTJ-DNQXCXABSA-N 0 0 454.636 4.566 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CC2CCC(F)(F)CC2)CC1)C(F)(F)F ZINC001360722783 1065750196 /nfs/dbraw/zinc/75/01/96/1065750196.db2.gz WQDPRTXLEKOTON-FQEVSTJZSA-N 0 0 473.490 4.695 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCCCCC2)CC1)C(F)(F)F ZINC001360722918 1065750453 /nfs/dbraw/zinc/75/04/53/1065750453.db2.gz ZBKCKJDIRUDNHP-QFIPXVFZSA-N 0 0 466.548 4.560 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1C[C@@H]1CCSC1(C)C ZINC001545918101 1065750485 /nfs/dbraw/zinc/75/04/85/1065750485.db2.gz GIZPEPHWQIZLIU-NRFANRHFSA-N 0 0 498.741 4.672 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 ZINC001438763048 1065750497 /nfs/dbraw/zinc/75/04/97/1065750497.db2.gz KDSLSKUIJZQQNW-HLAWJBBLSA-N 0 0 457.368 4.793 20 0 JJADRN C[C@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCC1)C1CCCCC1 ZINC001360723730 1065750844 /nfs/dbraw/zinc/75/08/44/1065750844.db2.gz DSPFHPKYIMRRCI-VWLOTQADSA-N 0 0 474.049 4.573 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001438773400 1065751023 /nfs/dbraw/zinc/75/10/23/1065751023.db2.gz WXFUUPIZDCJJTO-MORSLUCNSA-N 0 0 455.577 4.862 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001438774044 1065751628 /nfs/dbraw/zinc/75/16/28/1065751628.db2.gz ZAYGGFJOIJXVET-MDUGCROMSA-N 0 0 454.286 4.981 20 0 JJADRN COc1ccc([C@H]2COCCN2C(=O)COc2ccc3ccccc3c2Br)cc1 ZINC001438783390 1065751884 /nfs/dbraw/zinc/75/18/84/1065751884.db2.gz SXOWDGRBQVNRIX-HXUWFJFHSA-N 0 0 456.336 4.590 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(CC3CC3)n2Cc2sccc2Br)CC1)C(F)(F)F ZINC001360724501 1065752027 /nfs/dbraw/zinc/75/20/27/1065752027.db2.gz QQKLVUZFEBMAPU-GOSISDBHSA-N 0 0 493.393 4.633 20 0 JJADRN C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cc2cnccc2o1 ZINC001438784849 1065752110 /nfs/dbraw/zinc/75/21/10/1065752110.db2.gz LMCWGGLPHWXSJA-GFCCVEGCSA-N 0 0 454.280 4.927 20 0 JJADRN COc1ccc2c(c1)C=C(C(=O)N[C@H]1c3ccccc3N(C(=O)OC(C)(C)C)C1(C)C)CO2 ZINC001438809813 1065753214 /nfs/dbraw/zinc/75/32/14/1065753214.db2.gz BDGRCFYKWZNOTL-QFIPXVFZSA-N 0 0 450.535 4.862 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)n1 ZINC001438814761 1065753726 /nfs/dbraw/zinc/75/37/26/1065753726.db2.gz OVUOUCDZDKEBGV-MRXNPFEDSA-N 0 0 450.461 4.809 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1Cl ZINC001360726700 1065753703 /nfs/dbraw/zinc/75/37/03/1065753703.db2.gz VZENGCYPRAYCJQ-UHFFFAOYSA-N 0 0 454.375 4.522 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1Cl ZINC001360727178 1065754061 /nfs/dbraw/zinc/75/40/61/1065754061.db2.gz NVWPFPSVPMZRIR-OAQYLSRUSA-N 0 0 463.891 4.600 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001438816054 1065754006 /nfs/dbraw/zinc/75/40/06/1065754006.db2.gz GSARMSSVSQQNIM-ACIOBRDBSA-N 0 0 451.542 4.746 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1(C)C ZINC001438816526 1065754072 /nfs/dbraw/zinc/75/40/72/1065754072.db2.gz UBVSFHJCJKIGLW-HTAPYJJXSA-N 0 0 455.599 4.559 20 0 JJADRN C[C@](O)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1)c1ccc(F)cc1 ZINC001360727573 1065754634 /nfs/dbraw/zinc/75/46/34/1065754634.db2.gz VXNVFBAQPBMVHC-NRFANRHFSA-N 0 0 492.780 4.529 20 0 JJADRN C[C@@](O)(Cn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccco1 ZINC001360727850 1065755233 /nfs/dbraw/zinc/75/52/33/1065755233.db2.gz AYUXIDGDGBFPSW-QGZVFWFLSA-N 0 0 466.426 4.758 20 0 JJADRN C[C@](O)(Cn1c(C2CCCC2)nnc1N1CCC=C(Br)C1)c1cccc(Cl)c1 ZINC001360728255 1065756050 /nfs/dbraw/zinc/75/60/50/1065756050.db2.gz JMGAVQQIAHDFQL-NRFANRHFSA-N 0 0 465.823 4.986 20 0 JJADRN O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001438828145 1065756396 /nfs/dbraw/zinc/75/63/96/1065756396.db2.gz ISMLVKRSADMWQI-NRFANRHFSA-N 0 0 453.292 4.539 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)c(Cl)c1 ZINC001438828790 1065756573 /nfs/dbraw/zinc/75/65/73/1065756573.db2.gz JPKSBWCQYGGBGZ-UHFFFAOYSA-N 0 0 453.720 4.540 20 0 JJADRN O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)C(F)(F)c1cccc(Br)c1 ZINC001438847240 1065757062 /nfs/dbraw/zinc/75/70/62/1065757062.db2.gz XNESKAOUUZIVDG-QGZVFWFLSA-N 0 0 452.295 4.730 20 0 JJADRN O=C(c1ccc(I)c(Cl)c1)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001438838648 1065757182 /nfs/dbraw/zinc/75/71/82/1065757182.db2.gz HIRIYWXDSHJXDY-HNNXBMFYSA-N 0 0 452.723 4.569 20 0 JJADRN C[C@](O)(Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001360729308 1065757287 /nfs/dbraw/zinc/75/72/87/1065757287.db2.gz WDMYNKACZDIXHX-QFIPXVFZSA-N 0 0 479.934 4.604 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001438844652 1065757272 /nfs/dbraw/zinc/75/72/72/1065757272.db2.gz FGYMNESTBGFXTD-NVXWUHKLSA-N 0 0 457.811 4.757 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001360729991 1065757591 /nfs/dbraw/zinc/75/75/91/1065757591.db2.gz SBMHQEBOBHWCPB-CQSZACIVSA-N 0 0 454.723 4.837 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OCC2CCOCC2)cc1 ZINC001360730353 1065757737 /nfs/dbraw/zinc/75/77/37/1065757737.db2.gz FFCUSROMNKNPLX-UHFFFAOYSA-N 0 0 454.748 4.925 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001360729990 1065757749 /nfs/dbraw/zinc/75/77/49/1065757749.db2.gz SBMHQEBOBHWCPB-AWEZNQCLSA-N 0 0 454.723 4.837 20 0 JJADRN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730543 1065757776 /nfs/dbraw/zinc/75/77/76/1065757776.db2.gz MRFXJLPOFASWCH-ZDUSSCGKSA-N 0 0 451.214 4.720 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2nn(C)cc2Cl)CCC(=O)N1c1ccc(C)cc1 ZINC001438854632 1065758494 /nfs/dbraw/zinc/75/84/94/1065758494.db2.gz DQIHTTKLCNRHBX-AVRDEDQJSA-N 0 0 452.942 4.514 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360731332 1065758834 /nfs/dbraw/zinc/75/88/34/1065758834.db2.gz CZBITCPFEICJDX-PZJWPPBQSA-N 0 0 485.673 4.662 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001360731313 1065758861 /nfs/dbraw/zinc/75/88/61/1065758861.db2.gz CQVZFLYJQIMRHY-MOPGFXCFSA-N 0 0 483.657 4.777 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001438857364 1065758807 /nfs/dbraw/zinc/75/88/07/1065758807.db2.gz UMAAOGHMEJRGTQ-MRXNPFEDSA-N 0 0 459.222 4.809 20 0 JJADRN C[C@](O)(Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1Cl ZINC001360731442 1065759292 /nfs/dbraw/zinc/75/92/92/1065759292.db2.gz ILCFRRQEZKDJKL-QHCPKHFHSA-N 0 0 498.977 4.920 20 0 JJADRN C[C@@](O)(Cn1c(CC2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360731770 1065759889 /nfs/dbraw/zinc/75/98/89/1065759889.db2.gz MGUHCGCZHSSDBI-RPWUZVMVSA-N 0 0 498.565 4.587 20 0 JJADRN C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1)C1CCCCC1 ZINC001360732362 1065760439 /nfs/dbraw/zinc/76/04/39/1065760439.db2.gz SFGIKVLZKMPWAZ-BXKMTCNYSA-N 0 0 466.548 4.809 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1sc2ccccc2c1Br ZINC001438876614 1065760964 /nfs/dbraw/zinc/76/09/64/1065760964.db2.gz KNTOKNZBHHEYQZ-HXUWFJFHSA-N 0 0 450.329 4.707 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cnc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001438880968 1065761714 /nfs/dbraw/zinc/76/17/14/1065761714.db2.gz WZAFZDMYQCIUSN-AZGAKELHSA-N 0 0 459.546 4.839 20 0 JJADRN CN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360734238 1065761988 /nfs/dbraw/zinc/76/19/88/1065761988.db2.gz PANIMSBOHDRTTG-QHCPKHFHSA-N 0 0 452.913 4.936 20 0 JJADRN CC(C)c1c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cnn1-c1ccccc1Cl ZINC001360734346 1065762147 /nfs/dbraw/zinc/76/21/47/1065762147.db2.gz RKWSBCBOQQRUBK-NRFANRHFSA-N 0 0 454.933 4.666 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N3CCC[C@H](CF)C3)n2-c2ccc(C)cc2)cc1 ZINC001438883751 1065762232 /nfs/dbraw/zinc/76/22/32/1065762232.db2.gz RNOLWKUHBDVMFP-GOSISDBHSA-N 0 0 454.571 4.552 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NC[C@@]2(C)OCCc3ccccc32)nnc1-c1ccccc1 ZINC001438885951 1065762240 /nfs/dbraw/zinc/76/22/40/1065762240.db2.gz URFMFWAILIIRMV-AVRWGWEMSA-N 0 0 450.608 4.613 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3ccc(Oc4ccc(C)cc4)cn3)C2)nc1C ZINC001438887583 1065762616 /nfs/dbraw/zinc/76/26/16/1065762616.db2.gz XAWBLHOAMDYHCZ-KRWDZBQOSA-N 0 0 451.548 4.754 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC001360734579 1065762807 /nfs/dbraw/zinc/76/28/07/1065762807.db2.gz YKPDBXFFYYAKOI-WOIUINJBSA-N 0 0 456.608 4.622 20 0 JJADRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c2ccccc2O1 ZINC001360735275 1065763224 /nfs/dbraw/zinc/76/32/24/1065763224.db2.gz FTNMULBYFDTNGX-JQVVWYNYSA-N 0 0 471.395 4.652 20 0 JJADRN CCCc1ccc([C@H](NC(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)C(C)C)cc1 ZINC001360735315 1065763391 /nfs/dbraw/zinc/76/33/91/1065763391.db2.gz GRPBHZLKQMNRAU-DSNGMDLFSA-N 0 0 452.595 4.879 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)Oc2cc(C(C)(C)C)ccc2I)o1 ZINC001438899492 1065764008 /nfs/dbraw/zinc/76/40/08/1065764008.db2.gz KWMBZLJHPFDEDT-JXMROGBWSA-N 0 0 454.260 4.587 20 0 JJADRN O=C(Cc1cccs1)Nc1nc(CC(=O)N2CCCSC[C@@H]2c2ccccc2)cs1 ZINC001438909476 1065764950 /nfs/dbraw/zinc/76/49/50/1065764950.db2.gz NRWRVPKYXCTMAD-LJQANCHMSA-N 0 0 457.646 4.635 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccsc1Br ZINC001360736616 1065765309 /nfs/dbraw/zinc/76/53/09/1065765309.db2.gz DRCXVBZNRRRIJF-BBRMVZONSA-N 0 0 481.391 4.655 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC1(C)CCC1 ZINC001360736488 1065765324 /nfs/dbraw/zinc/76/53/24/1065765324.db2.gz BMYAVXLZIDCLKJ-FQEVSTJZSA-N 0 0 473.637 4.542 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC1([S@@](C)=O)CCC1 ZINC001360736469 1065765367 /nfs/dbraw/zinc/76/53/67/1065765367.db2.gz BEJSMOXOFPWMSC-RCUPCANXSA-N 0 0 492.020 4.543 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1 ZINC001438914879 1065765538 /nfs/dbraw/zinc/76/55/38/1065765538.db2.gz GPMHMURSEGXRSM-VMODYCNZSA-N 0 0 450.579 4.793 20 0 JJADRN O=C(NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001438915005 1065765621 /nfs/dbraw/zinc/76/56/21/1065765621.db2.gz LTVDVTAFLLAMTE-GOOCMWNKSA-N 0 0 452.309 4.783 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1CC(C)(C)c1ccccn1 ZINC001360736840 1065766161 /nfs/dbraw/zinc/76/61/61/1065766161.db2.gz IQMPWOJZSFCHDH-HNNXBMFYSA-N 0 0 451.468 4.929 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[S@](=O)C(C)(C)C ZINC001360736778 1065766357 /nfs/dbraw/zinc/76/63/57/1065766357.db2.gz HSPUMIVAJIOJAQ-MIKNWGHHSA-N 0 0 494.036 4.789 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001438921955 1065767203 /nfs/dbraw/zinc/76/72/03/1065767203.db2.gz YRPXECSPQMLHLM-KXBFYZLASA-N 0 0 452.357 4.840 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001438921943 1065767394 /nfs/dbraw/zinc/76/73/94/1065767394.db2.gz YRPXECSPQMLHLM-DNVCBOLYSA-N 0 0 452.357 4.840 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cccs2)n1CCn1cc(Cl)cn1 ZINC001360737693 1065767477 /nfs/dbraw/zinc/76/74/77/1065767477.db2.gz MVOYBNRQRUCZOB-HNNXBMFYSA-N 0 0 460.966 4.805 20 0 JJADRN CC(C)(C)C(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001360738369 1065768512 /nfs/dbraw/zinc/76/85/12/1065768512.db2.gz RNCNHNQLJCZCGC-UHFFFAOYSA-N 0 0 458.399 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cc(Br)cc2F)C2(CCC2)CC1 ZINC001438934100 1065768520 /nfs/dbraw/zinc/76/85/20/1065768520.db2.gz DVDLTAYDNLBJNS-UHFFFAOYSA-N 0 0 459.331 4.733 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1)N1CCOCC1 ZINC001360738219 1065768544 /nfs/dbraw/zinc/76/85/44/1065768544.db2.gz KUHKKIFEFZVKRS-HWBMXIPRSA-N 0 0 485.648 4.707 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CCc1ccsc1 ZINC001360738206 1065768597 /nfs/dbraw/zinc/76/85/97/1065768597.db2.gz KOTVSXMRDFXWTJ-INIZCTEOSA-N 0 0 457.600 4.997 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1)N1CCOCC1 ZINC001360738221 1065768616 /nfs/dbraw/zinc/76/86/16/1065768616.db2.gz KUHKKIFEFZVKRS-WRALFONMSA-N 0 0 485.648 4.707 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1 ZINC001360738491 1065769061 /nfs/dbraw/zinc/76/90/61/1065769061.db2.gz LXGWUUWDSFPKKM-UZLBHIALSA-N 0 0 459.953 4.659 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001438937264 1065769068 /nfs/dbraw/zinc/76/90/68/1065769068.db2.gz GMZQGBKSIMTLQA-GJZGRUSLSA-N 0 0 458.839 4.544 20 0 JJADRN CC(C)n1cc2cc(NC(=O)c3cc(Br)nn3-c3ncccc3Cl)ccc2n1 ZINC001360738759 1065769684 /nfs/dbraw/zinc/76/96/84/1065769684.db2.gz WTJFHOQBSHRDBT-UHFFFAOYSA-N 0 0 459.735 4.866 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360739395 1065770911 /nfs/dbraw/zinc/77/09/11/1065770911.db2.gz WXZJXHVYTNFCBT-LLVKDONJSA-N 0 0 472.874 4.610 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCc2cc3cc(Br)ccc3o2)CCN1C(=O)OC(C)(C)C ZINC001438962387 1065771411 /nfs/dbraw/zinc/77/14/11/1065771411.db2.gz CEMMOBRRRSVNGO-DLBZAZTESA-N 0 0 451.361 4.847 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360739620 1065771490 /nfs/dbraw/zinc/77/14/90/1065771490.db2.gz YVZXPONUHHYQTK-NYHFZMIOSA-N 0 0 495.393 4.956 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC001438965008 1065772096 /nfs/dbraw/zinc/77/20/96/1065772096.db2.gz FBUCMJYTTMJESB-QFIPXVFZSA-N 0 0 454.561 4.931 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCCC2)n1CCNC(=O)c1cccs1 ZINC001360739775 1065772046 /nfs/dbraw/zinc/77/20/46/1065772046.db2.gz WKAWVCJWUXGECQ-KRWDZBQOSA-N 0 0 471.602 4.675 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCCC2)n1CCNC(=O)c1cccs1 ZINC001360739776 1065772083 /nfs/dbraw/zinc/77/20/83/1065772083.db2.gz WKAWVCJWUXGECQ-QGZVFWFLSA-N 0 0 471.602 4.675 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CSCCS1 ZINC001360739877 1065772144 /nfs/dbraw/zinc/77/21/44/1065772144.db2.gz YELSORGEKMRJJT-KBXCAEBGSA-N 0 0 472.602 4.887 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001360739837 1065772169 /nfs/dbraw/zinc/77/21/69/1065772169.db2.gz XRIHGGUGRXDVAF-RTWAWAEBSA-N 0 0 487.664 4.931 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCC2CCOCC2)n1Cc1ccc(Cl)nc1 ZINC001360739817 1065772247 /nfs/dbraw/zinc/77/22/47/1065772247.db2.gz XFVKYOLATAIUKO-KRWDZBQOSA-N 0 0 473.980 4.907 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1C[C@@H]1C ZINC001360739995 1065772571 /nfs/dbraw/zinc/77/25/71/1065772571.db2.gz ADVWXIXWLDYJOW-DZKIICNBSA-N 0 0 454.468 4.561 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360740006 1065773114 /nfs/dbraw/zinc/77/31/14/1065773114.db2.gz AFUFFUWDWLSAEK-VYMRPNJYSA-N 0 0 497.537 4.593 20 0 JJADRN COc1cccc([C@@H]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C2(C)C)c1 ZINC001438971992 1065773095 /nfs/dbraw/zinc/77/30/95/1065773095.db2.gz PXMQFMUBCHEIQW-OALUTQOASA-N 0 0 457.368 4.678 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC(=O)NC1CCCCC1 ZINC001360740111 1065773217 /nfs/dbraw/zinc/77/32/17/1065773217.db2.gz BQONHMRFVJIXDI-RBUKOAKNSA-N 0 0 471.621 4.879 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCOC(C)(C)C)n1Cc1cnn2ccccc12 ZINC001360740366 1065774090 /nfs/dbraw/zinc/77/40/90/1065774090.db2.gz GGWFBMRXOVETOC-SFHVURJKSA-N 0 0 466.561 4.505 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F ZINC001438981560 1065774167 /nfs/dbraw/zinc/77/41/67/1065774167.db2.gz OCIDXYLLKVYYTK-UHFFFAOYSA-N 0 0 451.489 4.984 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)C ZINC001438991933 1065774788 /nfs/dbraw/zinc/77/47/88/1065774788.db2.gz DIGKIPFPIQYLDX-DZFYGRHCSA-N 0 0 453.564 4.602 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccoc2)CC1 ZINC001360741288 1065775128 /nfs/dbraw/zinc/77/51/28/1065775128.db2.gz NWQRUPAFYVYIQW-OALUTQOASA-N 0 0 483.588 4.576 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001360740947 1065775162 /nfs/dbraw/zinc/77/51/62/1065775162.db2.gz LMGRPFPGHXWNQD-RXVVDRJESA-N 0 0 473.593 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C2(CCC2)CC1 ZINC001438993925 1065775552 /nfs/dbraw/zinc/77/55/52/1065775552.db2.gz UMPZDSJBRICJAS-IEBWSBKVSA-N 0 0 468.516 4.561 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CC12CCOCC2 ZINC001360741925 1065776033 /nfs/dbraw/zinc/77/60/33/1065776033.db2.gz SWXAVIYYMACDMJ-RBUKOAKNSA-N 0 0 460.594 4.625 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2(C)C)c1 ZINC001439000440 1065776364 /nfs/dbraw/zinc/77/63/64/1065776364.db2.gz MZMVJQNMZVJJMB-GOSISDBHSA-N 0 0 455.407 4.652 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1(O)CCCCC1 ZINC001360741976 1065776684 /nfs/dbraw/zinc/77/66/84/1065776684.db2.gz UFWWCEVKHQSCEX-MRXNPFEDSA-N 0 0 468.495 4.951 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360741945 1065776726 /nfs/dbraw/zinc/77/67/26/1065776726.db2.gz TUBBFNDZMBFHPF-CZUORRHYSA-N 0 0 485.507 4.696 20 0 JJADRN C[C@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC[C@@H](C(F)(F)F)O1 ZINC001439004852 1065776786 /nfs/dbraw/zinc/77/67/86/1065776786.db2.gz UKEGZNYRNSRMGZ-LRDDRELGSA-N 0 0 459.262 4.818 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C ZINC001360742173 1065777083 /nfs/dbraw/zinc/77/70/83/1065777083.db2.gz VWKNRSWAEAMGLB-HOOSLVGPSA-N 0 0 474.602 4.574 20 0 JJADRN Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c2cc(Br)ccc2n1 ZINC001360742536 1065778391 /nfs/dbraw/zinc/77/83/91/1065778391.db2.gz YKLYZLLFPMUIMO-OAQYLSRUSA-N 0 0 452.352 4.573 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(C(F)(F)F)nc1 ZINC001439031070 1065778739 /nfs/dbraw/zinc/77/87/39/1065778739.db2.gz FLPJZNFHVOYTQW-MRVPVSSYSA-N 0 0 454.617 4.849 20 0 JJADRN 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CC1(C)CCc2cc(Br)ccc2N1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001439051273 1065780978 /nfs/dbraw/zinc/78/09/78/1065780978.db2.gz ZTIZGSXSSUXZGR-UHFFFAOYSA-N 0 0 454.368 4.686 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cccc(OC(C)(C)C)c2)c1 ZINC001439063750 1065782255 /nfs/dbraw/zinc/78/22/55/1065782255.db2.gz SOUBTWYHBALTDP-QFIPXVFZSA-N 0 0 456.583 4.625 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCn1cc(Cl)cn1 ZINC001360744615 1065782182 /nfs/dbraw/zinc/78/21/82/1065782182.db2.gz XVIILALXPJATPJ-DLBZAZTESA-N 0 0 460.985 4.980 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360744471 1065782208 /nfs/dbraw/zinc/78/22/08/1065782208.db2.gz VJHXVKVLUFTEAF-ROUUACIJSA-N 0 0 480.650 4.643 20 0 JJADRN COCCOc1cc(C(=O)Nc2cnc3ccccc3c2Br)nc2ccccc21 ZINC001439073408 1065782503 /nfs/dbraw/zinc/78/25/03/1065782503.db2.gz JKFFRMWRVGLRPT-UHFFFAOYSA-N 0 0 452.308 4.823 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(ccc(F)c3F)c2)[C@@H]1c1ccc(OC)cc1 ZINC001439083925 1065783023 /nfs/dbraw/zinc/78/30/23/1065783023.db2.gz NJDURVIZACQLGN-CYFREDJKSA-N 0 0 453.489 4.850 20 0 JJADRN COc1cc(/C=C\C(=O)N2CC[C@H](c3nc(C)cs3)C2)ccc1OCc1c(C)noc1C ZINC001439087353 1065783557 /nfs/dbraw/zinc/78/35/57/1065783557.db2.gz IJVJNILRJXZQRR-QJSCKGPTSA-N 0 0 453.564 4.673 20 0 JJADRN C[C@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001439085502 1065783598 /nfs/dbraw/zinc/78/35/98/1065783598.db2.gz ZRWUTFASSRZFIG-UGSOOPFHSA-N 0 0 454.445 4.890 20 0 JJADRN C[C@@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001439085498 1065783651 /nfs/dbraw/zinc/78/36/51/1065783651.db2.gz ZRWUTFASSRZFIG-FZKQIMNGSA-N 0 0 454.445 4.890 20 0 JJADRN Cc1csc([C@H]2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)C2)n1 ZINC001439088232 1065783662 /nfs/dbraw/zinc/78/36/62/1065783662.db2.gz NAYXBQAMRCTLPC-AWEZNQCLSA-N 0 0 458.937 4.751 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC001439094943 1065784007 /nfs/dbraw/zinc/78/40/07/1065784007.db2.gz QDHIIOWRVVGIFK-JOCHJYFZSA-N 0 0 451.592 4.502 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1nccn1C(F)F ZINC001360745398 1065784426 /nfs/dbraw/zinc/78/44/26/1065784426.db2.gz JWMJYYCZONETHI-KGLIPLIRSA-N 0 0 488.436 4.976 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCOC(C)(C)C ZINC001360745486 1065784915 /nfs/dbraw/zinc/78/49/15/1065784915.db2.gz LODWOFMPFAKIFD-GCJKJVERSA-N 0 0 460.594 4.768 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1-n1cccn1 ZINC001439098018 1065785221 /nfs/dbraw/zinc/78/52/21/1065785221.db2.gz BVSVGQNZRRXYFU-QFIPXVFZSA-N 0 0 452.599 4.870 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2n1 ZINC001439097775 1065785461 /nfs/dbraw/zinc/78/54/61/1065785461.db2.gz BOMCBOAFWUXBLC-OAQYLSRUSA-N 0 0 453.583 4.933 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCOCC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360745619 1065785504 /nfs/dbraw/zinc/78/55/04/1065785504.db2.gz NNLJNSNKYCCTGL-ROUUACIJSA-N 0 0 452.521 5.000 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)c2)c(C)c1 ZINC001439099985 1065785949 /nfs/dbraw/zinc/78/59/49/1065785949.db2.gz USBDKWBDXCCOKA-NVQXNPDNSA-N 0 0 451.567 4.728 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360745645 1065785982 /nfs/dbraw/zinc/78/59/82/1065785982.db2.gz NVQVVTQXUWRJOX-NBOOPKSLSA-N 0 0 483.510 4.553 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)c1ccccc1Cl ZINC001439103199 1065786327 /nfs/dbraw/zinc/78/63/27/1065786327.db2.gz VDMSWCCQVNOJOK-QFBILLFUSA-N 0 0 450.760 4.943 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccccc1Cl ZINC001439103201 1065786426 /nfs/dbraw/zinc/78/64/26/1065786426.db2.gz VDMSWCCQVNOJOK-VQIMIIECSA-N 0 0 450.760 4.943 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCCC(F)(F)F ZINC001360746058 1065787429 /nfs/dbraw/zinc/78/74/29/1065787429.db2.gz SCDCNODMYKKWDT-MDZRGWNJSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCCC(F)(F)F ZINC001360746057 1065787534 /nfs/dbraw/zinc/78/75/34/1065787534.db2.gz SCDCNODMYKKWDT-FCEWJHQRSA-N 0 0 456.484 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1)C1CCCC1 ZINC001439111625 1065787925 /nfs/dbraw/zinc/78/79/25/1065787925.db2.gz JFNMVDVFQPRGIX-REWPJTCUSA-N 0 0 456.627 4.876 20 0 JJADRN CCCCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H](C)c1ccccc1 ZINC001360746304 1065788118 /nfs/dbraw/zinc/78/81/18/1065788118.db2.gz AXWYCDMXAPEPNG-CTNGQTDRSA-N 0 0 455.603 4.854 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)NCc1ccc(C(C)(C)C)s1)Cc1ccccc1 ZINC001439110668 1065788145 /nfs/dbraw/zinc/78/81/45/1065788145.db2.gz RDXYDYWZWJXMQB-UHFFFAOYSA-N 0 0 459.656 4.689 20 0 JJADRN C[C@]1(C(=O)NCC2(c3ccc(Br)cc3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC001439112148 1065788674 /nfs/dbraw/zinc/78/86/74/1065788674.db2.gz OFEXZBOHUUUOOF-QHCPKHFHSA-N 0 0 455.396 4.539 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001360746621 1065788679 /nfs/dbraw/zinc/78/86/79/1065788679.db2.gz FHSPIDGZLJTPEZ-HSZRJFAPSA-N 0 0 450.901 4.839 20 0 JJADRN Cn1cnc2cccc(C(=O)N3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c21 ZINC001439112522 1065789168 /nfs/dbraw/zinc/78/91/68/1065789168.db2.gz UKVHAMRCFVNPHA-PGRDOPGGSA-N 0 0 454.615 4.899 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1cccs1 ZINC001360748505 1065789656 /nfs/dbraw/zinc/78/96/56/1065789656.db2.gz AOGJDRPFLJWDOJ-HZPDHXFCSA-N 0 0 483.535 4.740 20 0 JJADRN CCOC1CC2(C[C@@H]2NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001439117734 1065789647 /nfs/dbraw/zinc/78/96/47/1065789647.db2.gz QCFRZVNWIDEAFF-IQYSWEBNSA-N 0 0 458.221 4.513 20 0 JJADRN CCOC1CC2(C[C@H]2NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001439117739 1065789729 /nfs/dbraw/zinc/78/97/29/1065789729.db2.gz QCFRZVNWIDEAFF-VROQLPPWSA-N 0 0 458.221 4.513 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(C)CC1 ZINC001360748546 1065789861 /nfs/dbraw/zinc/78/98/61/1065789861.db2.gz BGEGVHUDYFLSGF-QZTJIDSGSA-N 0 0 473.593 4.803 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001439119351 1065790093 /nfs/dbraw/zinc/79/00/93/1065790093.db2.gz TZEYRIMDEFSEDL-SFHVURJKSA-N 0 0 459.424 4.766 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360748605 1065790349 /nfs/dbraw/zinc/79/03/49/1065790349.db2.gz CJYYWOOPZIYVMI-PDOICOKGSA-N 0 0 477.556 4.533 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001439126775 1065790504 /nfs/dbraw/zinc/79/05/04/1065790504.db2.gz COOVBABIWCQRSH-DVRVPYBTSA-N 0 0 464.915 4.942 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)(C(F)(F)F)CC1 ZINC001439123457 1065790586 /nfs/dbraw/zinc/79/05/86/1065790586.db2.gz FPSNCBRZJVHMAS-URZJWIJPSA-N 0 0 459.553 4.531 20 0 JJADRN CC(C)(C)[C@H]1CCC[C@](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)(C(F)(F)F)CC1 ZINC001439121933 1065790704 /nfs/dbraw/zinc/79/07/04/1065790704.db2.gz ADHAISPGCNWIII-WMZHIEFXSA-N 0 0 454.533 4.816 20 0 JJADRN CCn1c(SCC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)nnc1-c1ccc(Cl)cc1 ZINC001439130415 1065791104 /nfs/dbraw/zinc/79/11/04/1065791104.db2.gz KKOZNBLYCXVUML-IEBWSBKVSA-N 0 0 462.953 4.876 20 0 JJADRN CC(C)[C@H]1CCC[C@](NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)(C(F)(F)F)CC1 ZINC001439129290 1065791233 /nfs/dbraw/zinc/79/12/33/1065791233.db2.gz MUNKIPHIYYVGIF-HTAPYJJXSA-N 0 0 455.496 4.958 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360749186 1065791413 /nfs/dbraw/zinc/79/14/13/1065791413.db2.gz BFCKEGGCFPXYJT-WWMYMODYSA-N 0 0 491.583 4.751 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439135329 1065791980 /nfs/dbraw/zinc/79/19/80/1065791980.db2.gz NIAXKULCCIBGKT-FKUKAGJUSA-N 0 0 456.410 4.958 20 0 JJADRN O=C(NCC1(n2cc(Br)cn2)CC1)c1ccc2scc(Br)c2c1 ZINC001439135226 1065792139 /nfs/dbraw/zinc/79/21/39/1065792139.db2.gz VNYLANMSIFPMHL-UHFFFAOYSA-N 0 0 455.175 4.542 20 0 JJADRN CCSc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001439144339 1065792493 /nfs/dbraw/zinc/79/24/93/1065792493.db2.gz JNSZVEXNMOFFQF-IERDGZPVSA-N 0 0 451.419 4.984 20 0 JJADRN CCSc1ccccc1CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001439144336 1065792623 /nfs/dbraw/zinc/79/26/23/1065792623.db2.gz JNSZVEXNMOFFQF-HRAATJIYSA-N 0 0 451.419 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001439146091 1065792637 /nfs/dbraw/zinc/79/26/37/1065792637.db2.gz YYBYFGAGZNAPLV-XVWMLYKFSA-N 0 0 452.395 4.863 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)c1ccccn1 ZINC001360749524 1065792529 /nfs/dbraw/zinc/79/25/29/1065792529.db2.gz FKORELMMOWHHQK-CEXWTWQISA-N 0 0 453.562 4.544 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1(C)CCCC1 ZINC001360749667 1065792810 /nfs/dbraw/zinc/79/28/10/1065792810.db2.gz PJQZZUGHMBSXME-IBGZPJMESA-N 0 0 471.621 4.832 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001439147798 1065792919 /nfs/dbraw/zinc/79/29/19/1065792919.db2.gz FHWQDRWSXVLLEN-IBGZPJMESA-N 0 0 450.604 4.753 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H]3CCCN3CC(F)(F)F)cc12 ZINC001439156111 1065792972 /nfs/dbraw/zinc/79/29/72/1065792972.db2.gz WOOOBIYHHFKQFC-HNNXBMFYSA-N 0 0 456.921 4.805 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccsc1 ZINC001360749985 1065793611 /nfs/dbraw/zinc/79/36/11/1065793611.db2.gz RWEZYGLRJPBPBI-KRWDZBQOSA-N 0 0 487.601 4.724 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 ZINC001439166352 1065794035 /nfs/dbraw/zinc/79/40/35/1065794035.db2.gz DLNVXHMJYIBMBG-LJQANCHMSA-N 0 0 457.368 4.924 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001360750106 1065794164 /nfs/dbraw/zinc/79/41/64/1065794164.db2.gz UHPMXKZQYWLRJQ-QAPCUYQASA-N 0 0 476.540 4.714 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001360750289 1065794632 /nfs/dbraw/zinc/79/46/32/1065794632.db2.gz VQCZJZKHJBTSDC-NFBKMPQASA-N 0 0 473.637 4.540 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360750425 1065795291 /nfs/dbraw/zinc/79/52/91/1065795291.db2.gz MQNJRTPWTGDVHD-GOSISDBHSA-N 0 0 489.661 4.538 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1nccn1C(F)F ZINC001360750542 1065795307 /nfs/dbraw/zinc/79/53/07/1065795307.db2.gz XVXOFRQDILEZAQ-GYCJOSAFSA-N 0 0 492.546 4.839 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001439182717 1065795658 /nfs/dbraw/zinc/79/56/58/1065795658.db2.gz YIYBMNIOXSYWEF-GHTZIAJQSA-N 0 0 459.468 4.778 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@]1(C)CCCS1 ZINC001360750757 1065795651 /nfs/dbraw/zinc/79/56/51/1065795651.db2.gz ZZLYIZJKFUGVGB-IIBYNOLFSA-N 0 0 487.567 4.527 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360750792 1065796198 /nfs/dbraw/zinc/79/61/98/1065796198.db2.gz PNYINPAOBSVZGN-XQBPLPMBSA-N 0 0 460.594 4.768 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC001439193025 1065796431 /nfs/dbraw/zinc/79/64/31/1065796431.db2.gz AIKQCBSYVMFUJQ-VWLOTQADSA-N 0 0 457.526 4.763 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)cc12 ZINC001439193914 1065796862 /nfs/dbraw/zinc/79/68/62/1065796862.db2.gz MRPAQXUBKDIHAN-RHSMWYFYSA-N 0 0 457.905 4.948 20 0 JJADRN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 ZINC001439193948 1065796922 /nfs/dbraw/zinc/79/69/22/1065796922.db2.gz KRSZGPDKTLYRQY-QHCPKHFHSA-N 0 0 450.583 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(-c3ccccc3)s2)CC2(CCOCC2)C1 ZINC001439194353 1065796974 /nfs/dbraw/zinc/79/69/74/1065796974.db2.gz CFUXJQIEIHOSBB-IBGZPJMESA-N 0 0 456.608 4.951 20 0 JJADRN C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC001439195800 1065797001 /nfs/dbraw/zinc/79/70/01/1065797001.db2.gz CIAPNKZQJDDULP-CQSZACIVSA-N 0 0 454.924 4.530 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)c2cccs2)n1CCn1cncn1 ZINC001360751165 1065797208 /nfs/dbraw/zinc/79/72/08/1065797208.db2.gz VXJSVXCFHXSOTE-HZPDHXFCSA-N 0 0 457.991 4.622 20 0 JJADRN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC001360751701 1065797837 /nfs/dbraw/zinc/79/78/37/1065797837.db2.gz HBTCNUZSZUYJJJ-HNNXBMFYSA-N 0 0 456.340 4.765 20 0 JJADRN CCCN(C(=O)Cc1ccc(I)cc1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001360751540 1065797963 /nfs/dbraw/zinc/79/79/63/1065797963.db2.gz CPJCJGAYWVGUJE-RBUKOAKNSA-N 0 0 455.380 4.810 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(C)c(Cl)cc1I ZINC001360752851 1065798319 /nfs/dbraw/zinc/79/83/19/1065798319.db2.gz STYVQUBGPVRLDJ-MJGOQNOKSA-N 0 0 455.723 4.722 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(OCC(F)F)nc2)c1C ZINC001360752485 1065798415 /nfs/dbraw/zinc/79/84/15/1065798415.db2.gz QDHTUWVSJQFBQX-UHFFFAOYSA-N 0 0 451.271 4.543 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c1 ZINC001360752074 1065798482 /nfs/dbraw/zinc/79/84/82/1065798482.db2.gz HMWFSYMJTSQHJM-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001439205364 1065798300 /nfs/dbraw/zinc/79/83/00/1065798300.db2.gz NWVSPCZTIVDDPY-VWLOTQADSA-N 0 0 457.526 4.845 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC001439205141 1065798332 /nfs/dbraw/zinc/79/83/32/1065798332.db2.gz VNNQWTPSASWPHU-DVECYGJZSA-N 0 0 457.526 4.691 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001439205362 1065798382 /nfs/dbraw/zinc/79/83/82/1065798382.db2.gz NWVSPCZTIVDDPY-RUZDIDTESA-N 0 0 457.526 4.845 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001439205792 1065798422 /nfs/dbraw/zinc/79/84/22/1065798422.db2.gz YOLBDCAPQSOFPH-NRFANRHFSA-N 0 0 450.878 4.788 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c(Br)cc1F ZINC001360752960 1065798823 /nfs/dbraw/zinc/79/88/23/1065798823.db2.gz WPLMNVKFKQDPMP-UHFFFAOYSA-N 0 0 452.276 4.582 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl)N1Cc2ccccc2C1=O ZINC001439206009 1065798924 /nfs/dbraw/zinc/79/89/24/1065798924.db2.gz YESBUNSGNLPGHX-OAQYLSRUSA-N 0 0 455.986 4.735 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CCN1CCOC[C@H]1C ZINC001360753405 1065799411 /nfs/dbraw/zinc/79/94/11/1065799411.db2.gz CHGCIRNBGBHQFD-MOPGFXCFSA-N 0 0 462.038 4.561 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@](C)(O)c1ccsc1 ZINC001360753463 1065799507 /nfs/dbraw/zinc/79/95/07/1065799507.db2.gz CWQCZYOLAREAER-HKARXFIJSA-N 0 0 477.030 4.513 20 0 JJADRN CC(C)c1c(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC001439215159 1065799455 /nfs/dbraw/zinc/79/94/55/1065799455.db2.gz WPUOXQHIOSNUEM-QZTJIDSGSA-N 0 0 458.578 4.758 20 0 JJADRN Cc1cc(CCC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1Br ZINC001439215591 1065799559 /nfs/dbraw/zinc/79/95/59/1065799559.db2.gz BLIGOIKKHRDODB-SJLPKXTDSA-N 0 0 453.421 4.699 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@H](C)[C@H]2c2ccccc2)cc1 ZINC001439220733 1065800716 /nfs/dbraw/zinc/80/07/16/1065800716.db2.gz UBUCACUOHFBMTK-UUOWRZLLSA-N 0 0 454.592 4.535 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)OCc3cc(Br)ccc3Cl)c(C)c12 ZINC001439225773 1065801566 /nfs/dbraw/zinc/80/15/66/1065801566.db2.gz MKOMRYIKDFAYLA-UHFFFAOYSA-N 0 0 450.764 4.985 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCc2nccn2C1 ZINC001360754152 1065802773 /nfs/dbraw/zinc/80/27/73/1065802773.db2.gz OXWJCXOAPHAEPY-HOTGVXAUSA-N 0 0 464.948 4.622 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCCCC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360754123 1065803020 /nfs/dbraw/zinc/80/30/20/1065803020.db2.gz ORIAKPGOPVMVAC-GOSISDBHSA-N 0 0 495.089 4.913 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001439234382 1065803095 /nfs/dbraw/zinc/80/30/95/1065803095.db2.gz GPTLLVIJVHGCNG-SUMWQHHRSA-N 0 0 453.358 4.765 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC001439234906 1065803149 /nfs/dbraw/zinc/80/31/49/1065803149.db2.gz CKNIAXXLFXFJME-XUZZJYLKSA-N 0 0 454.542 4.841 20 0 JJADRN CN(C)c1ccc(-c2ccncc2NC(=O)[C@@]2(C)CC2(Br)Br)cc1 ZINC001439238860 1065803234 /nfs/dbraw/zinc/80/32/34/1065803234.db2.gz MZWHQBNKSCDGKJ-QGZVFWFLSA-N 0 0 453.178 4.649 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1C[C@H]1CSCCS1 ZINC001360754383 1065804233 /nfs/dbraw/zinc/80/42/33/1065804233.db2.gz SVWDNQGUAJFCMR-JXFKEZNVSA-N 0 0 483.103 4.783 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCOC2)n1CCCC1CCOCC1 ZINC001360754401 1065804458 /nfs/dbraw/zinc/80/44/58/1065804458.db2.gz TZKFQQCJTZQMKW-QUCCMNQESA-N 0 0 463.022 4.751 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCCSC1 ZINC001360754389 1065804556 /nfs/dbraw/zinc/80/45/56/1065804556.db2.gz SXFDDJXIPAPFNX-IRXDYDNUSA-N 0 0 461.035 4.585 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360754560 1065805787 /nfs/dbraw/zinc/80/57/87/1065805787.db2.gz XFICEMDRGJQYEE-DNVCBOLYSA-N 0 0 474.030 4.684 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360754562 1065805818 /nfs/dbraw/zinc/80/58/18/1065805818.db2.gz XFICEMDRGJQYEE-KXBFYZLASA-N 0 0 474.030 4.684 20 0 JJADRN C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CC=CCC1)N1CCOCC1 ZINC001360754501 1065805873 /nfs/dbraw/zinc/80/58/73/1065805873.db2.gz VVPWKTWQCXNZMX-PCCBWWKXSA-N 0 0 474.049 4.585 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(Cl)nc1 ZINC001360755215 1065808081 /nfs/dbraw/zinc/80/80/81/1065808081.db2.gz AUFOBDUPXSIDSJ-MRXNPFEDSA-N 0 0 472.380 4.501 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCOc1ncccc1F ZINC001360755439 1065808714 /nfs/dbraw/zinc/80/87/14/1065808714.db2.gz CWXKVIJEFGRAOR-IRXDYDNUSA-N 0 0 489.979 4.688 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccco2)CC1 ZINC001360755444 1065808742 /nfs/dbraw/zinc/80/87/42/1065808742.db2.gz CXPNCCFWZKZJIH-SFHVURJKSA-N 0 0 486.016 4.796 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NCCn1nc(C(F)(F)F)cc1C ZINC001439274560 1065809490 /nfs/dbraw/zinc/80/94/90/1065809490.db2.gz APKCSKITZFCHLF-UHFFFAOYSA-N 0 0 450.427 4.895 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001439274079 1065809669 /nfs/dbraw/zinc/80/96/69/1065809669.db2.gz OXHHPKCZZBTTAT-DENIHFKCSA-N 0 0 465.594 4.870 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439274234 1065809855 /nfs/dbraw/zinc/80/98/55/1065809855.db2.gz QLPQBWSAMFCADA-IAGOWNOFSA-N 0 0 461.990 4.762 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Br)cc3cccnc32)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439275797 1065809887 /nfs/dbraw/zinc/80/98/87/1065809887.db2.gz UIGVZUMQXCDQQQ-GDBMZVCRSA-N 0 0 462.388 4.620 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001360755686 1065810286 /nfs/dbraw/zinc/81/02/86/1065810286.db2.gz HWMIFWXYEYCNPV-MZNJEOGPSA-N 0 0 471.989 4.558 20 0 JJADRN Cc1ccc(N(CC2CC2)C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001439276981 1065810479 /nfs/dbraw/zinc/81/04/79/1065810479.db2.gz YTPOBWPHZGMYGB-UHFFFAOYSA-N 0 0 450.398 4.755 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC(C)(C)c1cccs1 ZINC001360755783 1065810963 /nfs/dbraw/zinc/81/09/63/1065810963.db2.gz JGHVUKRBLMMXGV-UPCLLVRISA-N 0 0 488.057 4.813 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCC(=O)N1CCCCC1 ZINC001360755850 1065811525 /nfs/dbraw/zinc/81/15/25/1065811525.db2.gz KDBSXJYLDVHVCD-QYZOEREBSA-N 0 0 460.022 4.709 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CC(=O)NC1CCCCC1 ZINC001360755942 1065812240 /nfs/dbraw/zinc/81/22/40/1065812240.db2.gz LWONCGFSKHLWEG-SQNIBIBYSA-N 0 0 460.022 4.755 20 0 JJADRN CCn1ccc(C(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)c1C ZINC001439307076 1065812903 /nfs/dbraw/zinc/81/29/03/1065812903.db2.gz OQFIUYAHOZLSGL-UHFFFAOYSA-N 0 0 456.340 4.509 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC001439307525 1065812993 /nfs/dbraw/zinc/81/29/93/1065812993.db2.gz RKWGHJKMQVCZOW-DLBZAZTESA-N 0 0 452.732 4.662 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H]1CCCC1(C)C ZINC001360756168 1065813732 /nfs/dbraw/zinc/81/37/32/1065813732.db2.gz PNAXVWCLVFKUQA-SQNIBIBYSA-N 0 0 460.022 4.565 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCSCCCO ZINC001360756437 1065814195 /nfs/dbraw/zinc/81/41/95/1065814195.db2.gz UNVXECBKEPZJOG-HNNXBMFYSA-N 0 0 490.979 4.886 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360756302 1065814425 /nfs/dbraw/zinc/81/44/25/1065814425.db2.gz RSYUDWITOSYQLQ-UZLBHIALSA-N 0 0 484.975 4.749 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2ccccc2OCc2ccccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC001439321083 1065814563 /nfs/dbraw/zinc/81/45/63/1065814563.db2.gz GKUPCQGCMAMBOM-XUZZJYLKSA-N 0 0 470.903 4.899 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc2ccccc21 ZINC001439326238 1065815181 /nfs/dbraw/zinc/81/51/81/1065815181.db2.gz HUEHYTMXSPHBAS-HSZRJFAPSA-N 0 0 454.567 4.647 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001439337349 1065815908 /nfs/dbraw/zinc/81/59/08/1065815908.db2.gz CJQKYFAYYLSEGG-UKRRQHHQSA-N 0 0 454.411 4.932 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC001439339410 1065816532 /nfs/dbraw/zinc/81/65/32/1065816532.db2.gz MAUGKIOFNVSOOL-UHFFFAOYSA-N 0 0 458.715 4.914 20 0 JJADRN Cn1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1-c1ccccc1 ZINC001439339529 1065816793 /nfs/dbraw/zinc/81/67/93/1065816793.db2.gz JFQKBTJEAXENPT-QZTJIDSGSA-N 0 0 451.489 4.610 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360756646 1065816824 /nfs/dbraw/zinc/81/68/24/1065816824.db2.gz XIVXWJZYQWZYMT-FPXQBCRKSA-N 0 0 499.965 4.752 20 0 JJADRN Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1C(F)(F)F ZINC001439345618 1065817225 /nfs/dbraw/zinc/81/72/25/1065817225.db2.gz XFAKIESXCACVBS-ZIAGYGMSSA-N 0 0 454.411 4.932 20 0 JJADRN Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1C(F)(F)F ZINC001439345613 1065817245 /nfs/dbraw/zinc/81/72/45/1065817245.db2.gz XFAKIESXCACVBS-KGLIPLIRSA-N 0 0 454.411 4.932 20 0 JJADRN Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1C(F)(F)F ZINC001439345616 1065817259 /nfs/dbraw/zinc/81/72/59/1065817259.db2.gz XFAKIESXCACVBS-UONOGXRCSA-N 0 0 454.411 4.932 20 0 JJADRN CC(C)COc1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001439346823 1065817918 /nfs/dbraw/zinc/81/79/18/1065817918.db2.gz XZOHYZMMGKSNMN-MOPGFXCFSA-N 0 0 458.521 4.568 20 0 JJADRN CC(C)COc1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001439346826 1065817956 /nfs/dbraw/zinc/81/79/56/1065817956.db2.gz XZOHYZMMGKSNMN-OALUTQOASA-N 0 0 458.521 4.568 20 0 JJADRN Cc1c(=O)c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c2oc1-c1ccccc1 ZINC001439357304 1065819348 /nfs/dbraw/zinc/81/93/48/1065819348.db2.gz VPOXIVNJECFTDK-IIBYNOLFSA-N 0 0 462.546 4.754 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001439356189 1065819484 /nfs/dbraw/zinc/81/94/84/1065819484.db2.gz UWYVDYILIWLHST-VMRPVKRXSA-N 0 0 462.949 4.971 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@]3(C)Cc3cccc(Br)c3)cn2)n1 ZINC001439357654 1065819942 /nfs/dbraw/zinc/81/99/42/1065819942.db2.gz KGFLWCLTIALHEK-QHCPKHFHSA-N 0 0 453.384 4.884 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001439363409 1065820666 /nfs/dbraw/zinc/82/06/66/1065820666.db2.gz YUMAURWFNKIXEJ-IFMALSPDSA-N 0 0 450.417 4.739 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC1CC1 ZINC001360757789 1065820725 /nfs/dbraw/zinc/82/07/25/1065820725.db2.gz IAUBLMWIHJYDOO-MJGOQNOKSA-N 0 0 474.049 4.860 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1ccco1 ZINC001360757810 1065820755 /nfs/dbraw/zinc/82/07/55/1065820755.db2.gz IPUYZRMHIIYQRA-PXNSSMCTSA-N 0 0 471.989 4.719 20 0 JJADRN O=C(Nc1cc(Br)c2ccccc2c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001439363386 1065820770 /nfs/dbraw/zinc/82/07/70/1065820770.db2.gz YIXWUDDZYBCHRE-QGZVFWFLSA-N 0 0 455.327 4.771 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360757813 1065820829 /nfs/dbraw/zinc/82/08/29/1065820829.db2.gz IRCYSHOZDBPBGN-MOPGFXCFSA-N 0 0 460.022 4.853 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001360757855 1065820843 /nfs/dbraw/zinc/82/08/43/1065820843.db2.gz JCOWLWTVDFHVKR-IKGGRYGDSA-N 0 0 454.949 4.980 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001360757856 1065820949 /nfs/dbraw/zinc/82/09/49/1065820949.db2.gz JCOWLWTVDFHVKR-IXDOHACOSA-N 0 0 454.949 4.980 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1[C@H]1C[C@@H]1C ZINC001360758077 1065822137 /nfs/dbraw/zinc/82/21/37/1065822137.db2.gz MKSIKOYENRBGNQ-MPGHIAIKSA-N 0 0 457.928 4.727 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1[C@@H]1C[C@H]1C ZINC001360758079 1065822175 /nfs/dbraw/zinc/82/21/75/1065822175.db2.gz MKSIKOYENRBGNQ-RVKKMQEKSA-N 0 0 457.928 4.727 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)ccc1SC ZINC001439392647 1065823637 /nfs/dbraw/zinc/82/36/37/1065823637.db2.gz HJRLXBHKEIENHO-LJQANCHMSA-N 0 0 450.601 4.997 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(I)cc2)ccc1SC ZINC001439398177 1065824134 /nfs/dbraw/zinc/82/41/34/1065824134.db2.gz ZLDNPXOBXRDXAT-NSHDSACASA-N 0 0 455.317 4.542 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1(C(F)(F)F)CC1 ZINC001439398328 1065824374 /nfs/dbraw/zinc/82/43/74/1065824374.db2.gz GYWIBEXLAXFDRM-UHFFFAOYSA-N 0 0 455.274 4.797 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001360758377 1065824752 /nfs/dbraw/zinc/82/47/52/1065824752.db2.gz RAHBRYWNAYMXKW-ULQDDVLXSA-N 0 0 499.965 4.767 20 0 JJADRN CCOc1cc(C(=O)N=[S@@]2(=O)CCc3ccccc32)ccc1OCCOc1ccccc1 ZINC001439416995 1065824828 /nfs/dbraw/zinc/82/48/28/1065824828.db2.gz LSZBGGGFCXXCGG-JGCGQSQUSA-N 0 0 451.544 4.767 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC001439423484 1065825830 /nfs/dbraw/zinc/82/58/30/1065825830.db2.gz STNUSWMJQUUJMG-WJOKGBTCSA-N 0 0 457.552 4.899 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 ZINC001439419199 1065825842 /nfs/dbraw/zinc/82/58/42/1065825842.db2.gz IERXFCBKOASOBD-GDLZYMKVSA-N 0 0 455.319 4.866 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC001360758748 1065825637 /nfs/dbraw/zinc/82/56/37/1065825637.db2.gz GEYBICRZMCUGQI-GOSISDBHSA-N 0 0 457.290 4.920 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360758802 1065826388 /nfs/dbraw/zinc/82/63/88/1065826388.db2.gz VDDFZKRUCPRXOR-MFWIUYSUSA-N 0 0 479.984 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001439430432 1065826329 /nfs/dbraw/zinc/82/63/29/1065826329.db2.gz IELXAQJZGANGOF-GFCCVEGCSA-N 0 0 451.639 4.651 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001439430433 1065827030 /nfs/dbraw/zinc/82/70/30/1065827030.db2.gz IELXAQJZGANGOF-LBPRGKRZSA-N 0 0 451.639 4.651 20 0 JJADRN C[S@](=O)(=NC(=O)c1c(F)ccc(I)c1Cl)c1cccc(F)c1 ZINC001439432433 1065827157 /nfs/dbraw/zinc/82/71/57/1065827157.db2.gz BKERFPBELSCVST-JOCHJYFZSA-N 0 0 455.651 4.520 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001360759123 1065827583 /nfs/dbraw/zinc/82/75/83/1065827583.db2.gz YBCPVHXHRUGOEB-GJZGRUSLSA-N 0 0 479.810 4.719 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]2C)n1CCn1cc(Br)cn1 ZINC001360759125 1065827671 /nfs/dbraw/zinc/82/76/71/1065827671.db2.gz YBCPVHXHRUGOEB-HUUCEWRRSA-N 0 0 479.810 4.719 20 0 JJADRN C[S@](=O)(=NC(=O)CCc1cc(Br)cs1)c1ccccc1Br ZINC001439436534 1065828401 /nfs/dbraw/zinc/82/84/01/1065828401.db2.gz NQTMOGSZGIKHIU-OAQYLSRUSA-N 0 0 451.205 4.889 20 0 JJADRN C[S@](=O)(=NC(=O)c1cnc(Br)c(Cl)c1)c1ccccc1Br ZINC001439435368 1065828466 /nfs/dbraw/zinc/82/84/66/1065828466.db2.gz LKVGWLGOAMMMRJ-OAQYLSRUSA-N 0 0 452.555 4.557 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3ccc(C)nc3s2)[C@H]1c1ccc(OC)cc1 ZINC001439437199 1065828537 /nfs/dbraw/zinc/82/85/37/1065828537.db2.gz JREDOGFHPIZLRG-WIYYLYMNSA-N 0 0 452.580 4.727 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC001360759284 1065828686 /nfs/dbraw/zinc/82/86/86/1065828686.db2.gz NLKPHVVWRYXWEA-HXUWFJFHSA-N 0 0 458.400 4.662 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1CC(=O)NCc1ccco1 ZINC001360759241 1065828703 /nfs/dbraw/zinc/82/87/03/1065828703.db2.gz ZGDPAPDYEJAHQM-KRWDZBQOSA-N 0 0 471.989 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC001439443284 1065829700 /nfs/dbraw/zinc/82/97/00/1065829700.db2.gz YFGPNRSCUUGEEV-ACDPGZMHSA-N 0 0 473.433 4.906 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCc1ccccn1 ZINC001360759862 1065829916 /nfs/dbraw/zinc/82/99/16/1065829916.db2.gz CTVOJOHXECZVDP-MSOLQXFVSA-N 0 0 455.990 4.713 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCc1ccccn1 ZINC001360759864 1065830054 /nfs/dbraw/zinc/83/00/54/1065830054.db2.gz CTVOJOHXECZVDP-ROUUACIJSA-N 0 0 455.990 4.713 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC001439453045 1065830490 /nfs/dbraw/zinc/83/04/90/1065830490.db2.gz GGLACDVMSMQSKQ-IRXDYDNUSA-N 0 0 453.564 4.569 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360760032 1065830601 /nfs/dbraw/zinc/83/06/01/1065830601.db2.gz GNRDNDSVWQFHLK-KURKYZTESA-N 0 0 496.002 4.989 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c(F)c(F)c1F ZINC001439462626 1065831724 /nfs/dbraw/zinc/83/17/24/1065831724.db2.gz YRQINSZAVIKVPE-UHFFFAOYSA-N 0 0 453.442 4.747 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c(F)c(F)c1F ZINC001439462590 1065831793 /nfs/dbraw/zinc/83/17/93/1065831793.db2.gz YCTOXRPLNLGVIU-QFIPXVFZSA-N 0 0 450.413 4.561 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCn1cccn1 ZINC001360760416 1065832020 /nfs/dbraw/zinc/83/20/20/1065832020.db2.gz LTJGRQGZGHZXEK-CLOONOSVSA-N 0 0 487.048 5.000 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)CCC2 ZINC001439467420 1065832527 /nfs/dbraw/zinc/83/25/27/1065832527.db2.gz FWOIXLUJJUREQN-LBPRGKRZSA-N 0 0 452.732 4.636 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)c(OC)c1OC ZINC001439466622 1065832561 /nfs/dbraw/zinc/83/25/61/1065832561.db2.gz PIMDHFQPARVULK-UHFFFAOYSA-N 0 0 450.278 4.854 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360760677 1065833082 /nfs/dbraw/zinc/83/30/82/1065833082.db2.gz RBGIGOHSKIGEDW-LDDOYCOJSA-N 0 0 475.918 4.675 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360760753 1065833770 /nfs/dbraw/zinc/83/37/70/1065833770.db2.gz SGKCKKRYLZYOOR-JFSTXAPLSA-N 0 0 477.049 4.994 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360760707 1065834151 /nfs/dbraw/zinc/83/41/51/1065834151.db2.gz ROKHDFHWAVKDJL-XNYRCJLNSA-N 0 0 460.022 4.770 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360760683 1065834167 /nfs/dbraw/zinc/83/41/67/1065834167.db2.gz REDWSBQUOIPKCA-YLJYHZDGSA-N 0 0 463.022 4.628 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOCC3(CC3)C2)n1CCSCC(F)(F)F ZINC001360760894 1065834663 /nfs/dbraw/zinc/83/46/63/1065834663.db2.gz USKGPSNHEMDVPM-HNNXBMFYSA-N 0 0 490.979 4.984 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001439495366 1065834805 /nfs/dbraw/zinc/83/48/05/1065834805.db2.gz BYMOJJHDPNLYQY-CDNPAEQRSA-N 0 0 468.569 4.676 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 ZINC001439498156 1065835358 /nfs/dbraw/zinc/83/53/58/1065835358.db2.gz IFXGCMGAZMBJST-IIBYNOLFSA-N 0 0 452.526 4.616 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCSCCCO ZINC001360760992 1065835448 /nfs/dbraw/zinc/83/54/48/1065835448.db2.gz WODPSGDIWGIGJM-HOYKHHGWSA-N 0 0 497.105 4.829 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc31)CO2 ZINC001439505788 1065836089 /nfs/dbraw/zinc/83/60/89/1065836089.db2.gz VFOSMVKQVQYABS-LAUBAEHRSA-N 0 0 454.542 4.649 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1CC1 ZINC001360761041 1065836099 /nfs/dbraw/zinc/83/60/99/1065836099.db2.gz XKTMJGCCNPZJEF-QGZVFWFLSA-N 0 0 476.021 4.929 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC001439503701 1065836286 /nfs/dbraw/zinc/83/62/86/1065836286.db2.gz PSNMCNBEZVVZQP-LBPRGKRZSA-N 0 0 456.955 4.598 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001360761747 1065836817 /nfs/dbraw/zinc/83/68/17/1065836817.db2.gz PJDDRPBHCXXMRC-XZOQPEGZSA-N 0 0 453.652 4.856 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001360761421 1065837128 /nfs/dbraw/zinc/83/71/28/1065837128.db2.gz HPKUQNDDRYLEGL-MJGOQNOKSA-N 0 0 455.986 4.840 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC3(CCCCC3)C2)n1CCSCCCO ZINC001360761176 1065837249 /nfs/dbraw/zinc/83/72/49/1065837249.db2.gz ZZJRCXJEQLTQBZ-IBGZPJMESA-N 0 0 495.089 4.727 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001439515298 1065837593 /nfs/dbraw/zinc/83/75/93/1065837593.db2.gz PRWYHSCUTROTLA-HSZRJFAPSA-N 0 0 454.523 4.800 20 0 JJADRN COCc1ccc([C@@H]2COCCN2C(=O)c2sc3ccc(Br)cc3c2C)o1 ZINC001439515467 1065837755 /nfs/dbraw/zinc/83/77/55/1065837755.db2.gz QKIAKJHEWPHRAK-INIZCTEOSA-N 0 0 450.354 4.925 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCOC[C@@H]1C ZINC001360762299 1065837976 /nfs/dbraw/zinc/83/79/76/1065837976.db2.gz CURLOMIVIBCJTF-OTWHNJEPSA-N 0 0 473.618 4.537 20 0 JJADRN CC(=O)c1ccc(OC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1Cl ZINC001439530937 1065838237 /nfs/dbraw/zinc/83/82/37/1065838237.db2.gz BFCBZZONKSHYPV-UHFFFAOYSA-N 0 0 455.717 4.955 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)c(N(C)C)c3)cc2)cc1 ZINC001439525637 1065838296 /nfs/dbraw/zinc/83/82/96/1065838296.db2.gz NLCZBOVZNMVABM-UHFFFAOYSA-N 0 0 457.983 4.792 20 0 JJADRN C[C@H]1CC(C)(C)c2cccc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)c21 ZINC001439523684 1065838387 /nfs/dbraw/zinc/83/83/87/1065838387.db2.gz CRLXKYSADMYAMT-AWEZNQCLSA-N 0 0 450.398 4.787 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1(C(N)=O)CCCC1 ZINC001360762371 1065838666 /nfs/dbraw/zinc/83/86/66/1065838666.db2.gz DWOCDESOKALVLP-IXDOHACOSA-N 0 0 496.002 4.845 20 0 JJADRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001439545549 1065839776 /nfs/dbraw/zinc/83/97/76/1065839776.db2.gz HIPLFUPUPBVFSM-KGLIPLIRSA-N 0 0 452.423 4.530 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360762602 1065840089 /nfs/dbraw/zinc/84/00/89/1065840089.db2.gz IMCBETAFSJGMCR-KRWDZBQOSA-N 0 0 466.623 4.539 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC1CCOCC1 ZINC001360762639 1065840106 /nfs/dbraw/zinc/84/01/06/1065840106.db2.gz JBRFKKCZZNIHLI-IXDOHACOSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1CCN(C)CC(F)(F)F ZINC001360762578 1065840198 /nfs/dbraw/zinc/84/01/98/1065840198.db2.gz HVDBPFRICNCIHU-INIZCTEOSA-N 0 0 457.516 4.820 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCCCCO ZINC001360762573 1065840211 /nfs/dbraw/zinc/84/02/11/1065840211.db2.gz HMHWBENTWXFMQD-LJQANCHMSA-N 0 0 495.089 4.727 20 0 JJADRN CC(C)(C)OC(=O)[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 ZINC001439553276 1065840917 /nfs/dbraw/zinc/84/09/17/1065840917.db2.gz JUOKPNZCHMNDMX-OAQYLSRUSA-N 0 0 457.477 4.537 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H]1CCCO1 ZINC001360762764 1065841252 /nfs/dbraw/zinc/84/12/52/1065841252.db2.gz LAWBIXPKPMKBSF-DTTOXWODSA-N 0 0 458.912 4.885 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC001360762931 1065841617 /nfs/dbraw/zinc/84/16/17/1065841617.db2.gz NJMWPVCIIPGCHR-FIKGOQFSSA-N 0 0 458.994 5.000 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(C(C)C)nc1C)c1ccc(Br)c(Cl)c1 ZINC001439571398 1065841828 /nfs/dbraw/zinc/84/18/28/1065841828.db2.gz HUFOAHYZIIJJRS-GOSISDBHSA-N 0 0 453.764 4.964 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCn1cccn1 ZINC001360763052 1065841922 /nfs/dbraw/zinc/84/19/22/1065841922.db2.gz PIRSEZYKIGZSBP-OKZBNKHCSA-N 0 0 461.035 4.689 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@](C)(O)c1cccs1 ZINC001360763015 1065841967 /nfs/dbraw/zinc/84/19/67/1065841967.db2.gz OOCCOQVCRSBRAB-OIMWQHCXSA-N 0 0 477.030 4.654 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccnc1OCC(F)F ZINC001360763223 1065842737 /nfs/dbraw/zinc/84/27/37/1065842737.db2.gz SDFKYZKCKOYRGG-WBVHZDCISA-N 0 0 493.555 4.586 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccc(Br)c(Cl)c1 ZINC001439582480 1065843419 /nfs/dbraw/zinc/84/34/19/1065843419.db2.gz ZPFTYMKQYDDKFI-SVEBXFOSSA-N 0 0 458.139 4.585 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001439585487 1065844613 /nfs/dbraw/zinc/84/46/13/1065844613.db2.gz NJXJSSYVCANBBF-WOJBJXKFSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001439585483 1065844636 /nfs/dbraw/zinc/84/46/36/1065844636.db2.gz NJXJSSYVCANBBF-VQTJNVASSA-N 0 0 454.542 4.904 20 0 JJADRN CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001360764431 1065845011 /nfs/dbraw/zinc/84/50/11/1065845011.db2.gz AKGWOICULJRSDM-DENIHFKCSA-N 0 0 487.645 4.612 20 0 JJADRN C/C(=C/c1ccco1)C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439590036 1065845391 /nfs/dbraw/zinc/84/53/91/1065845391.db2.gz DHIIEYWVQJKMHO-QWUHYRJKSA-N 0 0 452.551 4.839 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC001439587111 1065845572 /nfs/dbraw/zinc/84/55/72/1065845572.db2.gz MPKPPWGVGHTLAV-AWEZNQCLSA-N 0 0 450.457 4.784 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(Br)o2)n1CC1(C)COC1 ZINC001360764780 1065846329 /nfs/dbraw/zinc/84/63/29/1065846329.db2.gz FIINOWXQOPPBIS-AWEZNQCLSA-N 0 0 479.350 4.586 20 0 JJADRN Cc1cc(F)cc(C(=O)N2CCOC[C@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001439594665 1065846082 /nfs/dbraw/zinc/84/60/82/1065846082.db2.gz ZPPUBJWJHHAXHU-PZJWPPBQSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001439591160 1065846247 /nfs/dbraw/zinc/84/62/47/1065846247.db2.gz KFLPAQHMELJXCD-MOPGFXCFSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1cc(F)cc(C(=O)N2CCOC[C@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001439594669 1065846764 /nfs/dbraw/zinc/84/67/64/1065846764.db2.gz ZPPUBJWJHHAXHU-TZIWHRDSSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1c(C(C)C)nc2ccccn21 ZINC001439594877 1065846809 /nfs/dbraw/zinc/84/68/09/1065846809.db2.gz FUFBIGWIQWLGCR-SFHVURJKSA-N 0 0 454.596 4.582 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCC1CCOCC1 ZINC001360764901 1065846794 /nfs/dbraw/zinc/84/67/94/1065846794.db2.gz HGLBZFVYTQIZCG-QGZVFWFLSA-N 0 0 491.011 4.787 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1C[C@@](C)(O)c1cccs1 ZINC001360764920 1065847010 /nfs/dbraw/zinc/84/70/10/1065847010.db2.gz HOXVFHMTYYJVJH-SPLOXXLWSA-N 0 0 454.518 4.618 20 0 JJADRN Cc1c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc(Br)cc1C(F)(F)F ZINC001439595961 1065846996 /nfs/dbraw/zinc/84/69/96/1065846996.db2.gz LTNWELZNXOJQJZ-UHFFFAOYSA-N 0 0 450.276 4.573 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCCC(=O)N(C)C ZINC001360764998 1065847558 /nfs/dbraw/zinc/84/75/58/1065847558.db2.gz JGOMBEMZSKBDPQ-HNNXBMFYSA-N 0 0 480.009 4.777 20 0 JJADRN COc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)c(OC(F)F)c1 ZINC001439610813 1065847561 /nfs/dbraw/zinc/84/75/61/1065847561.db2.gz NUMGYQYOOFKJQM-UHFFFAOYSA-N 0 0 459.399 4.820 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001360764991 1065847668 /nfs/dbraw/zinc/84/76/68/1065847668.db2.gz JACPZWMIUVJZBH-HOIFWPIMSA-N 0 0 486.510 4.674 20 0 JJADRN COC[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC)C(C)C ZINC001439608881 1065847861 /nfs/dbraw/zinc/84/78/61/1065847861.db2.gz IAEPSGBZNJUPOJ-CLLDFNAGSA-N 0 0 452.595 4.523 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cc(Cl)cc2c1OCC2 ZINC001439617459 1065848270 /nfs/dbraw/zinc/84/82/70/1065848270.db2.gz XGPLPVNNDDEAJI-MRXNPFEDSA-N 0 0 455.963 4.740 20 0 JJADRN C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1cc(Cl)cc2c1OCC2 ZINC001439617737 1065848376 /nfs/dbraw/zinc/84/83/76/1065848376.db2.gz YLUJBYCIPIKBOH-SNVBAGLBSA-N 0 0 453.276 4.938 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@@]1(O)CCCC1(C)C ZINC001360765307 1065848878 /nfs/dbraw/zinc/84/88/78/1065848878.db2.gz OZUJDWNPQITCGF-BVZFJXPGSA-N 0 0 453.562 4.530 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@H]1CCCSC1 ZINC001360765324 1065849151 /nfs/dbraw/zinc/84/91/51/1065849151.db2.gz PHQOTMLBAMPBJV-MSOLQXFVSA-N 0 0 478.634 4.536 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)CCCCOc2ccc(Br)cc2)c1 ZINC001439624036 1065849127 /nfs/dbraw/zinc/84/91/27/1065849127.db2.gz KMZKYTMIURGJCN-UHFFFAOYSA-N 0 0 457.324 4.972 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CCc3cc(C)c(Br)cc3C2)CCN1C(=O)OC(C)(C)C ZINC001439624197 1065849176 /nfs/dbraw/zinc/84/91/76/1065849176.db2.gz JSSAXULWWXEAPN-HKUYNNGSSA-N 0 0 451.405 4.678 20 0 JJADRN CC1(C)C[C@@H](CNC(=O)c2cc(I)c(Cl)cc2Cl)C(C)(C)O1 ZINC001439628872 1065849936 /nfs/dbraw/zinc/84/99/36/1065849936.db2.gz RMXMEYFXGSSZBW-VIFPVBQESA-N 0 0 456.151 4.922 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC001439629633 1065850446 /nfs/dbraw/zinc/85/04/46/1065850446.db2.gz UHPYWUOIOSMVBT-JOCHJYFZSA-N 0 0 453.498 4.521 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCOc1ccc(Cl)cn1 ZINC001360765789 1065851903 /nfs/dbraw/zinc/85/19/03/1065851903.db2.gz YDWRCPYQJVLAGK-PKOBYXMFSA-N 0 0 489.979 4.690 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(C)(C)C ZINC001439642265 1065852486 /nfs/dbraw/zinc/85/24/86/1065852486.db2.gz FYRYIPGEODCPLF-HNNXBMFYSA-N 0 0 453.402 4.897 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(C)(C)C ZINC001439642268 1065852515 /nfs/dbraw/zinc/85/25/15/1065852515.db2.gz FYRYIPGEODCPLF-OAHLLOKOSA-N 0 0 453.402 4.897 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc(-c2cnn(C)c2)o1)C1CC1 ZINC001360766275 1065852550 /nfs/dbraw/zinc/85/25/50/1065852550.db2.gz MUDASDMKAWHVSH-UHFFFAOYSA-N 0 0 450.539 4.822 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21)C(C)(C)C ZINC001439641694 1065852609 /nfs/dbraw/zinc/85/26/09/1065852609.db2.gz KSTDRRZZIUOTAZ-HSZRJFAPSA-N 0 0 450.535 4.627 20 0 JJADRN Cc1cc2nc(NC(=O)c3ccc(=O)n(CCOc4ccccc4Cl)c3)sc2cc1F ZINC001439648099 1065853099 /nfs/dbraw/zinc/85/30/99/1065853099.db2.gz TUVFPWHTZPVBBZ-UHFFFAOYSA-N 0 0 457.914 4.890 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)cc12 ZINC001439650905 1065853582 /nfs/dbraw/zinc/85/35/82/1065853582.db2.gz VXKYSSDXFSUVPH-UHFFFAOYSA-N 0 0 458.305 4.564 20 0 JJADRN COC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001439659702 1065853773 /nfs/dbraw/zinc/85/37/73/1065853773.db2.gz NFQBDHOUQVAQSO-KRWDZBQOSA-N 0 0 456.420 4.885 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCCc2ccccn2)n1C[C@H]1CCSC1 ZINC001360766781 1065854141 /nfs/dbraw/zinc/85/41/41/1065854141.db2.gz CPSAZDOZLFFARR-RTBURBONSA-N 0 0 455.603 4.774 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSC(C)(C)C2)c1 ZINC001439670960 1065854291 /nfs/dbraw/zinc/85/42/91/1065854291.db2.gz FRMFTWXVSCQBLC-QGZVFWFLSA-N 0 0 453.029 4.569 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC001439668432 1065854393 /nfs/dbraw/zinc/85/43/93/1065854393.db2.gz DJDXHAHMVYGLQF-HAWMADMCSA-N 0 0 458.805 4.981 20 0 JJADRN Cc1cc(NC(=O)c2csc(-c3cccc4ccccc43)n2)ccc1S(=O)(=O)N(C)C ZINC001439665096 1065854490 /nfs/dbraw/zinc/85/44/90/1065854490.db2.gz UJVDBAOFZOWADN-UHFFFAOYSA-N 0 0 451.573 4.774 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001439676138 1065855039 /nfs/dbraw/zinc/85/50/39/1065855039.db2.gz FZDMOVNGHWKEPK-PZPWOCDFSA-N 0 0 458.331 4.765 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCCC(F)(F)F ZINC001360767190 1065855189 /nfs/dbraw/zinc/85/51/89/1065855189.db2.gz LDKHZAAUILLWJL-CVEARBPZSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCCC(F)(F)F ZINC001360767192 1065855261 /nfs/dbraw/zinc/85/52/61/1065855261.db2.gz LDKHZAAUILLWJL-HZPDHXFCSA-N 0 0 456.484 4.905 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC2CCOCC2)n1CCc1nccs1 ZINC001360767116 1065855442 /nfs/dbraw/zinc/85/54/42/1065855442.db2.gz JMPDTHVZQUXUIO-KRWDZBQOSA-N 0 0 459.591 4.509 20 0 JJADRN CC(C)(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC001439677475 1065855677 /nfs/dbraw/zinc/85/56/77/1065855677.db2.gz JXWMTUBTEWSEIN-UHFFFAOYSA-N 0 0 450.988 4.944 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439676155 1065855738 /nfs/dbraw/zinc/85/57/38/1065855738.db2.gz KPHSONHNJHZFRE-KHOMTPLRSA-N 0 0 471.001 4.932 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC2CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360767282 1065855974 /nfs/dbraw/zinc/85/59/74/1065855974.db2.gz MWUZBRNBVNLGFS-KRWDZBQOSA-N 0 0 461.582 4.660 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360767391 1065856196 /nfs/dbraw/zinc/85/61/96/1065856196.db2.gz ORASTTPHGQJZJZ-YYIAUSFCSA-N 0 0 483.510 4.518 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545924127 1065856337 /nfs/dbraw/zinc/85/63/37/1065856337.db2.gz QDNCENDHEZRGIO-OAQYLSRUSA-N 0 0 494.709 4.692 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001360767496 1065856886 /nfs/dbraw/zinc/85/68/86/1065856886.db2.gz PVXFOBLIKNXXEZ-HSALFYBXSA-N 0 0 473.637 4.539 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001439685601 1065857173 /nfs/dbraw/zinc/85/71/73/1065857173.db2.gz WRWSFCUFTHMPAD-DRSNIGMVSA-N 0 0 454.368 4.685 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(Cl)ccc1I ZINC001439684716 1065857198 /nfs/dbraw/zinc/85/71/98/1065857198.db2.gz VIOSVESRONLUKT-VFVRVIDISA-N 0 0 455.723 4.935 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC1CC1 ZINC001360767715 1065857369 /nfs/dbraw/zinc/85/73/69/1065857369.db2.gz TZRQYJLPNJHCQU-FUHIMQAGSA-N 0 0 473.593 4.707 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC1CC1 ZINC001360767717 1065857558 /nfs/dbraw/zinc/85/75/58/1065857558.db2.gz TZRQYJLPNJHCQU-ZWOKBUDYSA-N 0 0 473.593 4.707 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001439690659 1065857986 /nfs/dbraw/zinc/85/79/86/1065857986.db2.gz FCLKBMKNFJIBPJ-FNZWTVRRSA-N 0 0 453.583 4.879 20 0 JJADRN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001439692824 1065858849 /nfs/dbraw/zinc/85/88/49/1065858849.db2.gz JWNPDEDLJNBUQS-RPWUZVMVSA-N 0 0 451.613 4.908 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C)c1Br ZINC001439696336 1065859480 /nfs/dbraw/zinc/85/94/80/1065859480.db2.gz RQUOLXZLYITYKO-OPAMFIHVSA-N 0 0 451.405 4.975 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001439695655 1065859498 /nfs/dbraw/zinc/85/94/98/1065859498.db2.gz YGRHOANJASGPIS-DEOSSOPVSA-N 0 0 458.558 4.646 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C1 ZINC001360769080 1065859638 /nfs/dbraw/zinc/85/96/38/1065859638.db2.gz CZMBANOVDCSMDC-PMACEKPBSA-N 0 0 452.578 4.937 20 0 JJADRN CSc1nc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c2ccccn21 ZINC001439699362 1065859936 /nfs/dbraw/zinc/85/99/36/1065859936.db2.gz BHEITPFXAPQNPA-GOSISDBHSA-N 0 0 458.628 4.746 20 0 JJADRN COc1cc2ccc(C(=O)N3CCC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc2cc1OC ZINC001439697178 1065859967 /nfs/dbraw/zinc/85/99/67/1065859967.db2.gz VSGSWOPJGREZCK-FNZWTVRRSA-N 0 0 454.567 4.767 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360769314 1065861029 /nfs/dbraw/zinc/86/10/29/1065861029.db2.gz HFBFYBBBQVFSSH-GOSISDBHSA-N 0 0 459.610 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C(C)(C)C1 ZINC001439702812 1065861246 /nfs/dbraw/zinc/86/12/46/1065861246.db2.gz QXDQQPUZWJIYGW-QGZVFWFLSA-N 0 0 453.370 4.554 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001439702358 1065861260 /nfs/dbraw/zinc/86/12/60/1065861260.db2.gz IKCSBUCKPRLXPZ-QFIPXVFZSA-N 0 0 458.599 4.516 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCN1CCOC(C)(C)C1 ZINC001360769426 1065861842 /nfs/dbraw/zinc/86/18/42/1065861842.db2.gz IJFZLWJBZFLTMO-INIZCTEOSA-N 0 0 498.430 4.567 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC(CC4CCCCC4)CC3)n2)CCCCCC1 ZINC001439705199 1065861895 /nfs/dbraw/zinc/86/18/95/1065861895.db2.gz BITOCGBCDVLJGO-UHFFFAOYSA-N 0 0 458.647 4.897 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cnn(CCC(F)(F)F)c2)CCC1 ZINC001439703801 1065861962 /nfs/dbraw/zinc/86/19/62/1065861962.db2.gz LZBYHVXRHZJXKS-QGZVFWFLSA-N 0 0 458.525 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C(C)(C)C1 ZINC001439705806 1065861986 /nfs/dbraw/zinc/86/19/86/1065861986.db2.gz ZFDJPJFMMKLTLD-QGZVFWFLSA-N 0 0 450.004 4.768 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001360769648 1065862290 /nfs/dbraw/zinc/86/22/90/1065862290.db2.gz LQPPZSHTZDDJNL-AEFFLSMTSA-N 0 0 452.521 4.591 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CCC1 ZINC001439708713 1065862395 /nfs/dbraw/zinc/86/23/95/1065862395.db2.gz UBBBTFDUGOBWMH-FGZHOGPDSA-N 0 0 458.599 4.544 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769647 1065862540 /nfs/dbraw/zinc/86/25/40/1065862540.db2.gz LNMYJONHCUKTKB-SFTDATJTSA-N 0 0 473.637 4.542 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769644 1065862573 /nfs/dbraw/zinc/86/25/73/1065862573.db2.gz LNMYJONHCUKTKB-LEWJYISDSA-N 0 0 473.637 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccccc1OC1CCCC1 ZINC001439708298 1065862665 /nfs/dbraw/zinc/86/26/65/1065862665.db2.gz VKOWHVJNJIZCNX-RCZVLFRGSA-N 0 0 450.579 4.857 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(F)c1OC(F)(F)F ZINC001439709349 1065863170 /nfs/dbraw/zinc/86/31/70/1065863170.db2.gz RUKAZQJIELLFHI-IAGOWNOFSA-N 0 0 454.420 4.645 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCOCC1 ZINC001360769699 1065863284 /nfs/dbraw/zinc/86/32/84/1065863284.db2.gz MAVOCOUPDQQENP-QNWVGRARSA-N 0 0 487.664 4.786 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCCC(C)(C)C ZINC001360769945 1065863814 /nfs/dbraw/zinc/86/38/14/1065863814.db2.gz QHLVJPABWFFQHX-SJORKVTESA-N 0 0 499.553 4.888 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC(N2CCCOC2=O)CC1 ZINC001439726190 1065864667 /nfs/dbraw/zinc/86/46/67/1065864667.db2.gz CFDVRCOUGOEUBS-OQKWZONESA-N 0 0 456.489 4.662 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC(=O)NC(C)(C)C ZINC001360770015 1065864622 /nfs/dbraw/zinc/86/46/22/1065864622.db2.gz RMGLPEIKXAYVQK-CQSZACIVSA-N 0 0 484.403 4.761 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CC(C)(C)C(F)(F)F ZINC001360770049 1065864824 /nfs/dbraw/zinc/86/48/24/1065864824.db2.gz SCYSGPFIDZRHOJ-SJORKVTESA-N 0 0 494.537 4.948 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](C)c2ccc(Br)cc2)c1 ZINC001439730746 1065865156 /nfs/dbraw/zinc/86/51/56/1065865156.db2.gz QVVNBGVJLSSJGB-LLVKDONJSA-N 0 0 455.146 4.532 20 0 JJADRN CC[S@](=O)(=NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1cccc(Cl)c1 ZINC001439729791 1065865213 /nfs/dbraw/zinc/86/52/13/1065865213.db2.gz AQOOJWRNAXOJSK-MUUNZHRXSA-N 0 0 457.770 4.974 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CCNC(=O)OC(C)(C)C ZINC001360770116 1065865266 /nfs/dbraw/zinc/86/52/66/1065865266.db2.gz TXRMFXGTWWIKDB-KRWDZBQOSA-N 0 0 461.582 4.708 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C ZINC001360770140 1065865576 /nfs/dbraw/zinc/86/55/76/1065865576.db2.gz UCHVEUGOXAHOPW-MSOLQXFVSA-N 0 0 469.609 4.824 20 0 JJADRN Cc1cc([C@H](CC(=O)NCC[C@H]2CCC(C)(C)CO2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439732372 1065865781 /nfs/dbraw/zinc/86/57/81/1065865781.db2.gz FJEGHJYZAOMFSR-MSOLQXFVSA-N 0 0 454.011 4.711 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(Br)cn2)C1 ZINC001360770356 1065865993 /nfs/dbraw/zinc/86/59/93/1065865993.db2.gz XOMNQFWMQCURLN-IRXDYDNUSA-N 0 0 491.409 4.699 20 0 JJADRN CC[S@@](=O)(=NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)c1cccc(Cl)c1 ZINC001439733369 1065866597 /nfs/dbraw/zinc/86/65/97/1065866597.db2.gz NHVOYHHVWYRHDM-RXBISOJRSA-N 0 0 455.761 4.602 20 0 JJADRN Cc1cc([C@H](CC(=O)NCC[C@@H]2CCC(C)(C)CO2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439732378 1065866614 /nfs/dbraw/zinc/86/66/14/1065866614.db2.gz FJEGHJYZAOMFSR-ROUUACIJSA-N 0 0 454.011 4.711 20 0 JJADRN CC[S@](=O)(=NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1cccc(Cl)c1 ZINC001439734915 1065867234 /nfs/dbraw/zinc/86/72/34/1065867234.db2.gz RPMATDKXHAINAF-AREMUKBSSA-N 0 0 452.761 4.975 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1Cc1nccc(C(F)F)n1 ZINC001360770603 1065867455 /nfs/dbraw/zinc/86/74/55/1065867455.db2.gz ZOGDDSTWLTVTKU-CYBMUJFWSA-N 0 0 468.430 4.569 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)/C(=C\c1ccccc1)C(F)(F)F ZINC001360770666 1065867507 /nfs/dbraw/zinc/86/75/07/1065867507.db2.gz HTWMMEUZJOQKQJ-PLJYQOKSSA-N 0 0 452.476 4.676 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2c2cccs2)n1CC(=O)NCC(F)(F)F ZINC001360771702 1065868810 /nfs/dbraw/zinc/86/88/10/1065868810.db2.gz BZVPLGPOLYBLCQ-ZBFHGGJFSA-N 0 0 497.518 4.639 20 0 JJADRN O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001439746020 1065869431 /nfs/dbraw/zinc/86/94/31/1065869431.db2.gz PEZBTTGGOJHMQN-IAGOWNOFSA-N 0 0 451.748 4.977 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCCCCC2)n1Cc1ncnn1C(C)(C)C ZINC001360772744 1065870121 /nfs/dbraw/zinc/87/01/21/1065870121.db2.gz DTBJFJSMOFNVKE-GOSISDBHSA-N 0 0 455.582 4.723 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCNC(=O)C1CCC1 ZINC001360772835 1065870261 /nfs/dbraw/zinc/87/02/61/1065870261.db2.gz JRPSNACZYMWJIM-AEFFLSMTSA-N 0 0 497.537 4.642 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCCCCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360773039 1065871154 /nfs/dbraw/zinc/87/11/54/1065871154.db2.gz GRSLUSQOGTWKLM-SFHVURJKSA-N 0 0 466.623 4.541 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCCCCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360773038 1065871166 /nfs/dbraw/zinc/87/11/66/1065871166.db2.gz GRSLUSQOGTWKLM-GOSISDBHSA-N 0 0 466.623 4.541 20 0 JJADRN O=C(Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001439759237 1065871561 /nfs/dbraw/zinc/87/15/61/1065871561.db2.gz YJBZGBJKTVXQMO-SFHVURJKSA-N 0 0 456.970 4.918 20 0 JJADRN COCCOCCOc1cccc(NC(=O)c2cc3ccc(Br)cc3s2)c1 ZINC001439765301 1065872439 /nfs/dbraw/zinc/87/24/39/1065872439.db2.gz JEKFSVXDLASDOM-UHFFFAOYSA-N 0 0 450.354 4.958 20 0 JJADRN CC(C)(C)OCc1cccc(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)c1 ZINC001439767453 1065873129 /nfs/dbraw/zinc/87/31/29/1065873129.db2.gz GUMAULRYSGLRMQ-UHFFFAOYSA-N 0 0 458.349 4.559 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)c3cc(Cl)c(C)cc3Br)cc21 ZINC001439769618 1065873153 /nfs/dbraw/zinc/87/31/53/1065873153.db2.gz COIDXHNJXUHOHI-UHFFFAOYSA-N 0 0 451.748 4.589 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@H]2CCCC3(CCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439769113 1065873184 /nfs/dbraw/zinc/87/31/84/1065873184.db2.gz CKKVLMXTQFKNDT-MSOLQXFVSA-N 0 0 451.995 4.607 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCCOCC(F)F ZINC001360774701 1065874097 /nfs/dbraw/zinc/87/40/97/1065874097.db2.gz OOJWTHGFVFTEHU-HNNXBMFYSA-N 0 0 495.933 4.840 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360774769 1065874443 /nfs/dbraw/zinc/87/44/43/1065874443.db2.gz PLQNOYUWTBVIHX-OAFZBRQQSA-N 0 0 456.484 4.761 20 0 JJADRN O=C(NC[C@@H]1CCC2(CCOCC2)O1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001439778256 1065874960 /nfs/dbraw/zinc/87/49/60/1065874960.db2.gz NUKXFOCIKKQNFH-GHTZIAJQSA-N 0 0 450.362 4.958 20 0 JJADRN O=C(NC[C@H]1CCC2(CCOCC2)O1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001439778261 1065875082 /nfs/dbraw/zinc/87/50/82/1065875082.db2.gz NUKXFOCIKKQNFH-WIYYLYMNSA-N 0 0 450.362 4.958 20 0 JJADRN COc1ccc(F)cc1C(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 ZINC001439780744 1065875637 /nfs/dbraw/zinc/87/56/37/1065875637.db2.gz XGAKHEPHXQWPKQ-FQEVSTJZSA-N 0 0 453.295 4.676 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N(C)C)nc1 ZINC001360774958 1065876216 /nfs/dbraw/zinc/87/62/16/1065876216.db2.gz QDUOMYXSBWOYHU-RXVVDRJESA-N 0 0 452.578 4.691 20 0 JJADRN Cc1cccc([C@H](NC(=O)c2cccnc2OCc2ccccc2F)C(=O)OC(C)(C)C)c1 ZINC001439791599 1065878214 /nfs/dbraw/zinc/87/82/14/1065878214.db2.gz TVVDVQPRDPSLCO-QFIPXVFZSA-N 0 0 450.510 4.921 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CCSCC(F)(F)F ZINC001360775603 1065878596 /nfs/dbraw/zinc/87/85/96/1065878596.db2.gz WPFFMQIGQLMATF-KKSFZXQISA-N 0 0 488.551 4.860 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC001439793628 1065878616 /nfs/dbraw/zinc/87/86/16/1065878616.db2.gz PMTUPZOGSQJFIP-INIZCTEOSA-N 0 0 454.571 4.971 20 0 JJADRN Cc1cccc(C(=O)Nc2c(F)ccc(Br)c2F)c1I ZINC001439793432 1065878878 /nfs/dbraw/zinc/87/88/78/1065878878.db2.gz IBDWORWCJUECPX-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360775732 1065879434 /nfs/dbraw/zinc/87/94/34/1065879434.db2.gz YZIIIVHCLKWCID-IRXDYDNUSA-N 0 0 470.536 4.970 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CCCC(C)(C)C ZINC001360775703 1065879513 /nfs/dbraw/zinc/87/95/13/1065879513.db2.gz YLDIYGULHRRXRA-PKOBYXMFSA-N 0 0 455.582 4.854 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(I)c(Cl)c2)c1 ZINC001439796341 1065879452 /nfs/dbraw/zinc/87/94/52/1065879452.db2.gz BTJARLCOLPYLDZ-JSGCOSHPSA-N 0 0 457.695 4.704 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1nccs1 ZINC001360775742 1065880158 /nfs/dbraw/zinc/88/01/58/1065880158.db2.gz ZCWHVYWPTXUWFR-CABCVRRESA-N 0 0 485.507 4.610 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)s2)cc1 ZINC001360776271 1065880193 /nfs/dbraw/zinc/88/01/93/1065880193.db2.gz LKYLAKSWQUBVDC-GOSISDBHSA-N 0 0 455.967 4.706 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC001360776548 1065880730 /nfs/dbraw/zinc/88/07/30/1065880730.db2.gz ICVUDPDUJNANEI-UHFFFAOYSA-N 0 0 450.922 4.923 20 0 JJADRN CCCOc1ccc(C(=O)NCc2cc(F)ccc2N2CCOCC2)c(OC2CCCC2)c1 ZINC001360777133 1065881394 /nfs/dbraw/zinc/88/13/94/1065881394.db2.gz PQJQCHBHJONJMJ-UHFFFAOYSA-N 0 0 456.558 4.703 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001360777216 1065881440 /nfs/dbraw/zinc/88/14/40/1065881440.db2.gz XJWVPYCLSYTALI-LJQANCHMSA-N 0 0 457.361 4.667 20 0 JJADRN CC(C)c1cncc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)c1 ZINC001439818381 1065881595 /nfs/dbraw/zinc/88/15/95/1065881595.db2.gz GLYXEELFAXYGAU-MRXNPFEDSA-N 0 0 453.539 4.736 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC001439818319 1065881618 /nfs/dbraw/zinc/88/16/18/1065881618.db2.gz DUTZEOZLUBZCHD-UHFFFAOYSA-N 0 0 458.301 4.988 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360777828 1065882768 /nfs/dbraw/zinc/88/27/68/1065882768.db2.gz GNMDBSWIDHOWKN-UWVAXJGDSA-N 0 0 471.552 4.972 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 ZINC001439825906 1065883656 /nfs/dbraw/zinc/88/36/56/1065883656.db2.gz NWTMOPVLVRGZSA-XANCMCCPSA-N 0 0 452.620 4.605 20 0 JJADRN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001439827259 1065883670 /nfs/dbraw/zinc/88/36/70/1065883670.db2.gz PGPOCLYNGHQOQW-OAQYLSRUSA-N 0 0 451.889 4.989 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC001439828375 1065883677 /nfs/dbraw/zinc/88/36/77/1065883677.db2.gz YLOLZJAPAPRENF-HNNXBMFYSA-N 0 0 457.983 4.768 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccccn2)CCS1 ZINC001360778187 1065883996 /nfs/dbraw/zinc/88/39/96/1065883996.db2.gz LPECKTILQUDHEF-PGRDOPGGSA-N 0 0 455.603 4.773 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC001439828740 1065884466 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Cc1ccccc1-n1cc(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cn1 ZINC001440170304 1065920272 /nfs/dbraw/zinc/92/02/72/1065920272.db2.gz KPYOPMQRFBWISA-OAQYLSRUSA-N 0 0 452.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)n2)C1 ZINC001440176753 1065920800 /nfs/dbraw/zinc/92/08/00/1065920800.db2.gz UNMDEVMNMCWGRT-QUCCMNQESA-N 0 0 454.571 4.696 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1cnc(-c3ccccn3)s1)CC2 ZINC001440173909 1065920862 /nfs/dbraw/zinc/92/08/62/1065920862.db2.gz VGCWINSUMLKWLS-KRWDZBQOSA-N 0 0 456.612 4.752 20 0 JJADRN CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCOc2ccc(F)cc2)C1 ZINC001360808663 1065922335 /nfs/dbraw/zinc/92/23/35/1065922335.db2.gz SOFARDRLENKFIS-UHFFFAOYSA-N 0 0 471.602 4.504 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CCO[C@@H](C(C)(C)C)CC2)cs1 ZINC001440189307 1065922442 /nfs/dbraw/zinc/92/24/42/1065922442.db2.gz YXYDHBRELGPEAS-QGZVFWFLSA-N 0 0 453.402 4.858 20 0 JJADRN 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PUUFXHKPLLRQGT-DOTOQJQBSA-N 0 0 455.605 4.921 20 0 JJADRN COc1ccc(Br)c(C(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001440226539 1065925293 /nfs/dbraw/zinc/92/52/93/1065925293.db2.gz LAPLCZDVMABKAJ-HNNXBMFYSA-N 0 0 455.393 4.709 20 0 JJADRN CCC[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1cccc(C(F)(F)F)c1 ZINC001360811987 1065925206 /nfs/dbraw/zinc/92/52/06/1065925206.db2.gz OJILLZUGBLZCRA-VGSWGCGISA-N 0 0 453.505 4.554 20 0 JJADRN CCC[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)c1cccc(C(F)(F)F)c1 ZINC001360811986 1065925355 /nfs/dbraw/zinc/92/53/55/1065925355.db2.gz OJILLZUGBLZCRA-VGOFRKELSA-N 0 0 453.505 4.554 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)c1I ZINC001440224296 1065925328 /nfs/dbraw/zinc/92/53/28/1065925328.db2.gz CQOAHCUXQVANQD-CQSZACIVSA-N 0 0 458.658 4.524 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N(C)C)cc(OC)c1OCc1ccccc1 ZINC001440245695 1065925714 /nfs/dbraw/zinc/92/57/14/1065925714.db2.gz CEGNBQAKLWIDHE-QGZVFWFLSA-N 0 0 452.526 4.979 20 0 JJADRN 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CC1(C)CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC(C)(C)O1 ZINC001360823711 1065937669 /nfs/dbraw/zinc/93/76/69/1065937669.db2.gz PTBYLDVFTVLXSV-SFHVURJKSA-N 0 0 478.494 4.750 20 0 JJADRN CC1(C)CN(c2nnc([C@@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC(C)(C)O1 ZINC001360824828 1065938055 /nfs/dbraw/zinc/93/80/55/1065938055.db2.gz RMYHQZMLERICCA-AEFFLSMTSA-N 0 0 481.410 4.649 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001440395380 1065938073 /nfs/dbraw/zinc/93/80/73/1065938073.db2.gz LQZWSAYYUXTTOJ-INIZCTEOSA-N 0 0 453.471 4.724 20 0 JJADRN C[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001440397207 1065938288 /nfs/dbraw/zinc/93/82/88/1065938288.db2.gz VGOXLJUWZQWSKE-CZUORRHYSA-N 0 0 452.477 4.753 20 0 JJADRN CC1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 ZINC001360826848 1065938928 /nfs/dbraw/zinc/93/89/28/1065938928.db2.gz KBGCZQGBMFJJQN-UHFFFAOYSA-N 0 0 495.933 4.630 20 0 JJADRN 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RECNAOPMAICHMR-MOPGFXCFSA-N 0 0 474.556 4.538 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC2=CCCCC2)c1C ZINC001360869792 1065999157 /nfs/dbraw/zinc/99/91/57/1065999157.db2.gz KCEVUYFNFDDIEV-CTNGQTDRSA-N 0 0 451.615 4.592 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H](CCCc3ccccc3)C2)cc1 ZINC001545937293 1065999709 /nfs/dbraw/zinc/99/97/09/1065999709.db2.gz JPMVUQSYUXOWCZ-HXUWFJFHSA-N 0 0 450.608 4.504 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCc2cccnc2)c1C ZINC001360870148 1066001099 /nfs/dbraw/zinc/00/10/99/1066001099.db2.gz VPTBHDINEQQZBF-IBGZPJMESA-N 0 0 480.016 4.696 20 0 JJADRN Cc1ccc([C@H]2CCCN2C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC001441017991 1066001329 /nfs/dbraw/zinc/00/13/29/1066001329.db2.gz WMYJVWJRPMKDOG-RBBKRZOGSA-N 0 0 453.587 4.526 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441027622 1066001680 /nfs/dbraw/zinc/00/16/80/1066001680.db2.gz NFLGPMDPHRTAPF-JPYJTQIMSA-N 0 0 456.583 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JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001441042413 1066003028 /nfs/dbraw/zinc/00/30/28/1066003028.db2.gz FSVRARKLZUYGJB-UHFFFAOYSA-N 0 0 452.473 4.925 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCC2CC2)c1C ZINC001360870696 1066003286 /nfs/dbraw/zinc/00/32/86/1066003286.db2.gz PXJFNWGDRWDVJI-MDYRTPRTSA-N 0 0 452.521 4.991 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)c1 ZINC001441045085 1066003494 /nfs/dbraw/zinc/00/34/94/1066003494.db2.gz UOYMSHMZNDFHEM-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001441045436 1066003620 /nfs/dbraw/zinc/00/36/20/1066003620.db2.gz RINKOWIAMNXONZ-JOCHJYFZSA-N 0 0 450.457 4.592 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccc1O)Nc1ccccc1 ZINC001441049973 1066003835 /nfs/dbraw/zinc/00/38/35/1066003835.db2.gz LDVIBBIYFFENGN-QFIPXVFZSA-N 0 0 459.546 4.788 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)=NN1c1ccccc1 ZINC001441048515 1066003920 /nfs/dbraw/zinc/00/39/20/1066003920.db2.gz MADOJVZFOAGVNX-YADHBBJMSA-N 0 0 453.970 4.980 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2(O)CCC2)c1C ZINC001360870948 1066004147 /nfs/dbraw/zinc/00/41/47/1066004147.db2.gz REQBMIJKFDOZOF-KRWDZBQOSA-N 0 0 450.505 4.649 20 0 JJADRN O=C(NCc1cccnc1N1CCOCC1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001441050033 1066004354 /nfs/dbraw/zinc/00/43/54/1066004354.db2.gz ZHZULTPOOGDGCU-UHFFFAOYSA-N 0 0 458.345 4.947 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC001441054937 1066004797 /nfs/dbraw/zinc/00/47/97/1066004797.db2.gz OMBUALKLUJGWBG-QFIPXVFZSA-N 0 0 452.599 4.590 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@](C)=O)CC2)c1C ZINC001360871455 1066005140 /nfs/dbraw/zinc/00/51/40/1066005140.db2.gz XENUJDGAQOZMGT-KGMZSHBCSA-N 0 0 470.639 4.954 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1(C)C ZINC001441062816 1066005397 /nfs/dbraw/zinc/00/53/97/1066005397.db2.gz CRJPUJBPNSKZEL-HBAYXTBCSA-N 0 0 456.530 4.564 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)Cc2ccc(C3CCCCC3)cc2)ccc1Cl ZINC001360871566 1066005518 /nfs/dbraw/zinc/00/55/18/1066005518.db2.gz QZNVIOMKCCUORQ-UHFFFAOYSA-N 0 0 450.988 4.751 20 0 JJADRN CCCC[C@H](CC)CNC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC001441073550 1066005675 /nfs/dbraw/zinc/00/56/75/1066005675.db2.gz YULMDMJPTXKKJM-KRWDZBQOSA-N 0 0 452.437 4.894 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001441075708 1066006022 /nfs/dbraw/zinc/00/60/22/1066006022.db2.gz HGSPLTDTQDFECU-FQEVSTJZSA-N 0 0 452.551 4.785 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCC(C)(F)F)c1C ZINC001360872758 1066006325 /nfs/dbraw/zinc/00/63/25/1066006325.db2.gz ABEMFMVZAVBONO-PMACEKPBSA-N 0 0 472.584 4.883 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1ccc(O[C@H]3CCOC3)cc1)N2C(=O)OC(C)(C)C ZINC001360871938 1066006445 /nfs/dbraw/zinc/00/64/45/1066006445.db2.gz AQJMZKCJCBAENX-PGRDOPGGSA-N 0 0 456.514 4.607 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 ZINC001441091818 1066006969 /nfs/dbraw/zinc/00/69/69/1066006969.db2.gz CYRAMEXJAWXRDE-UHFFFAOYSA-N 0 0 451.482 4.978 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CC(C)(C)C(C)C)c1C ZINC001360872849 1066007098 /nfs/dbraw/zinc/00/70/98/1066007098.db2.gz BSSIFNJEEZVQHL-FGZHOGPDSA-N 0 0 467.658 4.918 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)NCCN1CCN(c2ccccc2)CC1 ZINC001441102796 1066007453 /nfs/dbraw/zinc/00/74/53/1066007453.db2.gz NCBGCIKNAYLWML-UHFFFAOYSA-N 0 0 456.030 4.705 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC001441099098 1066007476 /nfs/dbraw/zinc/00/74/76/1066007476.db2.gz JBTVGCHLYNMLOT-SFHVURJKSA-N 0 0 453.174 4.797 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCSC(C)C)c1C ZINC001360872911 1066007462 /nfs/dbraw/zinc/00/74/62/1066007462.db2.gz ASCNHRBFSNSSBD-LJQANCHMSA-N 0 0 467.639 4.840 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360873005 1066007537 /nfs/dbraw/zinc/00/75/37/1066007537.db2.gz BFNYLTXRQNZYDC-KKSHJYNMSA-N 0 0 456.631 4.855 20 0 JJADRN CCCn1nc(C)c(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1C ZINC001441107012 1066007871 /nfs/dbraw/zinc/00/78/71/1066007871.db2.gz FHFUHMSTQRCUQV-UHFFFAOYSA-N 0 0 455.986 4.777 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)c1cccc(OCc3ccc(Cl)cc3)c1)C[C@@H]2O ZINC001441106212 1066007884 /nfs/dbraw/zinc/00/78/84/1066007884.db2.gz CKJXXCMMWQDOPR-NRFANRHFSA-N 0 0 453.922 4.626 20 0 JJADRN C[C@H](C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccc1 ZINC001441103957 1066007955 /nfs/dbraw/zinc/00/79/55/1066007955.db2.gz URZHJCVEKMLHLU-QGZVFWFLSA-N 0 0 458.425 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCc1c[nH]c2c1cccc2C ZINC001545938492 1066007971 /nfs/dbraw/zinc/00/79/71/1066007971.db2.gz WMTQCVXXVVKNCU-JOCHJYFZSA-N 0 0 482.698 4.807 20 0 JJADRN O=C(NCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001441114758 1066008277 /nfs/dbraw/zinc/00/82/77/1066008277.db2.gz DYOIPIGPUFOUMW-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)n2)n1 ZINC001441114549 1066008298 /nfs/dbraw/zinc/00/82/98/1066008298.db2.gz LEVLTGPTTJRQDN-UHFFFAOYSA-N 0 0 452.971 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCc2cccc(Cn3ccnc3)c2)CC1 ZINC001441118792 1066008686 /nfs/dbraw/zinc/00/86/86/1066008686.db2.gz OWAORDJRYACIJM-UHFFFAOYSA-N 0 0 454.615 4.755 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(C3)CCOCC4)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873432 1066008819 /nfs/dbraw/zinc/00/88/19/1066008819.db2.gz FGMQWLDUMACPCA-NRFANRHFSA-N 0 0 499.656 4.567 20 0 JJADRN O=Cc1ccc(OCC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC001441118883 1066008911 /nfs/dbraw/zinc/00/89/11/1066008911.db2.gz PXJCEOCLUANWRB-UHFFFAOYSA-N 0 0 454.979 4.604 20 0 JJADRN CCCN(Cc1ccccc1Br)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C ZINC001441120271 1066009222 /nfs/dbraw/zinc/00/92/22/1066009222.db2.gz OMZNTQRRYAOTQV-QGZVFWFLSA-N 0 0 459.450 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001441119570 1066009243 /nfs/dbraw/zinc/00/92/43/1066009243.db2.gz ZGQYIUAIJAEAJK-OAQYLSRUSA-N 0 0 452.486 4.558 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360873600 1066009964 /nfs/dbraw/zinc/00/99/64/1066009964.db2.gz GTYMARSBVWWEAN-MTNREXPMSA-N 0 0 494.640 4.535 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(c4ccsc4)CC3)n2CCS(C)(=O)=O)c1C ZINC001360873729 1066010289 /nfs/dbraw/zinc/01/02/89/1066010289.db2.gz KALRQIJBGKQXJZ-LJQANCHMSA-N 0 0 488.679 4.525 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2=CCCCC2)c1C ZINC001360873634 1066010364 /nfs/dbraw/zinc/01/03/64/1066010364.db2.gz HGXQSTYJJIZKBN-IFMALSPDSA-N 0 0 451.615 4.627 20 0 JJADRN CN(Cc1cccc(Br)c1)C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001441152915 1066010568 /nfs/dbraw/zinc/01/05/68/1066010568.db2.gz NRMJPHUAAHAWKJ-QGZVFWFLSA-N 0 0 455.393 4.560 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873867 1066010681 /nfs/dbraw/zinc/01/06/81/1066010681.db2.gz KTOJFAZSFVMIDZ-SFHVURJKSA-N 0 0 479.572 4.795 20 0 JJADRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001441158432 1066011083 /nfs/dbraw/zinc/01/10/83/1066011083.db2.gz ZUNJZFVNBLENDQ-WLRLJWMZSA-N 0 0 458.599 4.811 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC001441173180 1066011596 /nfs/dbraw/zinc/01/15/96/1066011596.db2.gz QXKLZYUTPGJFRC-UHFFFAOYSA-N 0 0 457.785 4.769 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1NC(=O)OC(C)(C)C ZINC001441174147 1066011646 /nfs/dbraw/zinc/01/16/46/1066011646.db2.gz SHZMXXKABRWOMG-UHFFFAOYSA-N 0 0 455.530 4.516 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC2(C(C)C)CC2)c1C ZINC001360874295 1066013072 /nfs/dbraw/zinc/01/30/72/1066013072.db2.gz NTNMLSOHAZNTIS-HXUWFJFHSA-N 0 0 453.631 4.563 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874362 1066013171 /nfs/dbraw/zinc/01/31/71/1066013171.db2.gz LUBVZIJJLLDUJH-FCHUYYIVSA-N 0 0 465.646 4.669 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360874411 1066013568 /nfs/dbraw/zinc/01/35/68/1066013568.db2.gz MLVDROGEQOHPSL-BKMJKUGQSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360874487 1066013742 /nfs/dbraw/zinc/01/37/42/1066013742.db2.gz PRRIMFCCGHZLON-PXNSSMCTSA-N 0 0 457.619 4.796 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCN2CCOC2=O)c1C ZINC001360874429 1066013853 /nfs/dbraw/zinc/01/38/53/1066013853.db2.gz OYKHGTSWSMILJQ-KRWDZBQOSA-N 0 0 494.423 4.777 20 0 JJADRN CCN(Cc1cccc(NC(=O)C[C@H](c2nccn2C)C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001441192455 1066013934 /nfs/dbraw/zinc/01/39/34/1066013934.db2.gz YOLLYNKCRNCGCS-QGZVFWFLSA-N 0 0 454.493 4.852 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](CC(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360874582 1066014436 /nfs/dbraw/zinc/01/44/36/1066014436.db2.gz RNLUVODZLHUKAO-YADHBBJMSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2cccs2)c1C ZINC001360874823 1066015565 /nfs/dbraw/zinc/01/55/65/1066015565.db2.gz UUHSFMLMMAWBTC-HXUWFJFHSA-N 0 0 481.666 4.839 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)c(O)c2)c1 ZINC001441214693 1066015698 /nfs/dbraw/zinc/01/56/98/1066015698.db2.gz GFNDPAPSYDEOIF-FCHUYYIVSA-N 0 0 454.567 4.996 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2Cc2nccn2C(F)F)c1C ZINC001360874990 1066015858 /nfs/dbraw/zinc/01/58/58/1066015858.db2.gz VZTNUTHBLMNMRG-HNNXBMFYSA-N 0 0 452.456 4.520 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCC(=O)N(C)C)c1C ZINC001360874997 1066015910 /nfs/dbraw/zinc/01/59/10/1066015910.db2.gz WDRXBFFDOJBLOM-OAQYLSRUSA-N 0 0 485.673 4.687 20 0 JJADRN COc1cc(/C=C(\C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c2ccccc2)ccc1O ZINC001441224212 1066016370 /nfs/dbraw/zinc/01/63/70/1066016370.db2.gz ZKYJCKBAHTULRC-SXGWCWSVSA-N 0 0 450.878 4.564 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2CCn2cc(Cl)cn2)c1C ZINC001360875038 1066016397 /nfs/dbraw/zinc/01/63/97/1066016397.db2.gz XAYXKLCKFPVDEU-FQEVSTJZSA-N 0 0 487.048 4.979 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360875161 1066016418 /nfs/dbraw/zinc/01/64/18/1066016418.db2.gz XGOUDGPKYWRPIU-FQRUVTKNSA-N 0 0 456.631 4.590 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCCO2)c1C ZINC001360875100 1066016827 /nfs/dbraw/zinc/01/68/27/1066016827.db2.gz QCWYEEOZPLTEMI-VSKRKVRLSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H]2CSCCS2)c1C ZINC001360875209 1066016967 /nfs/dbraw/zinc/01/69/67/1066016967.db2.gz XRJHLQLCULSXCS-SJORKVTESA-N 0 0 454.612 4.729 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CCCSC2)c1C ZINC001360875218 1066017231 /nfs/dbraw/zinc/01/72/31/1066017231.db2.gz XSXPBIHZOJLSFN-FYYLOGMGSA-N 0 0 499.725 4.873 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360875307 1066017272 /nfs/dbraw/zinc/01/72/72/1066017272.db2.gz SGIKJPZZXVFNLK-RLWLMLJZSA-N 0 0 498.697 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545939557 1066017474 /nfs/dbraw/zinc/01/74/74/1066017474.db2.gz DXPBMYNJTYSGCF-LJQANCHMSA-N 0 0 465.614 4.688 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360875545 1066018202 /nfs/dbraw/zinc/01/82/02/1066018202.db2.gz VGDQRZRQAZHTKV-YADHBBJMSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1C ZINC001360875551 1066018215 /nfs/dbraw/zinc/01/82/15/1066018215.db2.gz VHULAMWGQVYAKC-YADHBBJMSA-N 0 0 485.673 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC2([S@@](C)=O)CC2)c1C ZINC001360875535 1066018279 /nfs/dbraw/zinc/01/82/79/1066018279.db2.gz VCNXHITZDSFNIU-PAEXWAINSA-N 0 0 484.588 4.725 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC2([S@@](C)=O)CC2)c1C ZINC001360875536 1066018287 /nfs/dbraw/zinc/01/82/87/1066018287.db2.gz VCNXHITZDSFNIU-SJOQKPIVSA-N 0 0 484.588 4.725 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001545939651 1066018497 /nfs/dbraw/zinc/01/84/97/1066018497.db2.gz HKVPLOZXHBOPEE-WMZHIEFXSA-N 0 0 465.708 4.656 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCn2cc(Br)cn2)c1C ZINC001360875804 1066019535 /nfs/dbraw/zinc/01/95/35/1066019535.db2.gz ZHMJKVGELDOAFW-QFBILLFUSA-N 0 0 487.446 4.930 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360875822 1066019696 /nfs/dbraw/zinc/01/96/96/1066019696.db2.gz ZLDNQBXKLTVHEC-VHFRWLAGSA-N 0 0 480.657 4.559 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(Br)c3nccnc3c2)cc1 ZINC001360876114 1066020008 /nfs/dbraw/zinc/02/00/08/1066020008.db2.gz IBMBPEXLEUQOKW-UHFFFAOYSA-N 0 0 452.274 4.948 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360876203 1066020483 /nfs/dbraw/zinc/02/04/83/1066020483.db2.gz KSUSUHYBMUNJHQ-WMZHIEFXSA-N 0 0 454.533 4.966 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360876201 1066020509 /nfs/dbraw/zinc/02/05/09/1066020509.db2.gz KSUSUHYBMUNJHQ-AUSIDOKSSA-N 0 0 454.533 4.966 20 0 JJADRN CC[C@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)c1nc(C(F)(F)F)cs1 ZINC001360876256 1066020532 /nfs/dbraw/zinc/02/05/32/1066020532.db2.gz MSWMGXMROURBIR-TVQRCGJNSA-N 0 0 453.939 4.899 20 0 JJADRN CC[C@@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)c1nc(C(F)(F)F)cs1 ZINC001360876255 1066020540 /nfs/dbraw/zinc/02/05/40/1066020540.db2.gz MSWMGXMROURBIR-NOZJJQNGSA-N 0 0 453.939 4.899 20 0 JJADRN COc1ccc(NC(=O)c2cc(F)cc(Br)c2N)cc1NC(=O)OC(C)(C)C ZINC001441251687 1066020714 /nfs/dbraw/zinc/02/07/14/1066020714.db2.gz XSDHINDYSXIIBD-UHFFFAOYSA-N 0 0 454.296 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCc1ccc(OC)cc1 ZINC001545939780 1066021849 /nfs/dbraw/zinc/02/18/49/1066021849.db2.gz KITICQXJDPIOKZ-UHFFFAOYSA-N 0 0 485.698 4.704 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360876894 1066021853 /nfs/dbraw/zinc/02/18/53/1066021853.db2.gz CWSYCOZCCLPLGS-OAQYLSRUSA-N 0 0 479.625 4.882 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc2)C1 ZINC001441277715 1066022238 /nfs/dbraw/zinc/02/22/38/1066022238.db2.gz KEXZZMADRSCHRW-INIZCTEOSA-N 0 0 455.580 4.798 20 0 JJADRN COc1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)cc1OCc1cccnc1 ZINC001441274704 1066022392 /nfs/dbraw/zinc/02/23/92/1066022392.db2.gz HAQCUUBSWSROHM-XMMPIXPASA-N 0 0 451.910 4.844 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@]2(C)CCCO2)c1C ZINC001360877354 1066022921 /nfs/dbraw/zinc/02/29/21/1066022921.db2.gz KLVNPENFCGQYAJ-DRMXPCRNSA-N 0 0 495.590 4.677 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001545939903 1066023148 /nfs/dbraw/zinc/02/31/48/1066023148.db2.gz NNFLTBSJPWDXNY-MOPGFXCFSA-N 0 0 494.665 4.762 20 0 JJADRN CN(CCc1ccccc1C(=O)NCc1cccnc1OC1CCCC1)C(=O)OC(C)(C)C ZINC001441304255 1066023675 /nfs/dbraw/zinc/02/36/75/1066023675.db2.gz BZWWPSTXZGCCAF-UHFFFAOYSA-N 0 0 453.583 4.742 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1CCSCc1ccc(C)cc1 ZINC001545940005 1066023833 /nfs/dbraw/zinc/02/38/33/1066023833.db2.gz PRJZUXPKFKDPLA-UHFFFAOYSA-N 0 0 475.728 4.770 20 0 JJADRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001441302529 1066023859 /nfs/dbraw/zinc/02/38/59/1066023859.db2.gz AHHPBWJRIXMKNG-INIZCTEOSA-N 0 0 453.410 4.844 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[C@@H]2CCCCO2)c1C ZINC001360877668 1066024015 /nfs/dbraw/zinc/02/40/15/1066024015.db2.gz NMRPNCCUWBVADP-SFTDATJTSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360877652 1066024022 /nfs/dbraw/zinc/02/40/22/1066024022.db2.gz NDPNCGJLQJJOQK-WBVHZDCISA-N 0 0 458.550 4.903 20 0 JJADRN Cc1cc(C)n(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)n1 ZINC001441305371 1066024255 /nfs/dbraw/zinc/02/42/55/1066024255.db2.gz FJKQCDHZXCZYGF-VWLOTQADSA-N 0 0 454.530 4.695 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CCC(C)(C)c3ccccc3)cc2)CC1 ZINC001360877962 1066024390 /nfs/dbraw/zinc/02/43/90/1066024390.db2.gz OXMFRGFKZSBZFE-UHFFFAOYSA-N 0 0 450.579 4.798 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCSC2(C)C)c1C ZINC001360877844 1066024542 /nfs/dbraw/zinc/02/45/42/1066024542.db2.gz OONXHRVEELDNMA-FGZHOGPDSA-N 0 0 499.725 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC001441312895 1066024724 /nfs/dbraw/zinc/02/47/24/1066024724.db2.gz AQOKOYQRGNZMAC-MBOZVWFJSA-N 0 0 468.013 4.816 20 0 JJADRN COc1ccc(SCCCC(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC001360878201 1066024857 /nfs/dbraw/zinc/02/48/57/1066024857.db2.gz URKJSAPWPTXSNK-UHFFFAOYSA-N 0 0 450.626 4.591 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](OC)[C@@H](C)CC ZINC001545940080 1066025021 /nfs/dbraw/zinc/02/50/21/1066025021.db2.gz RIJVOYHWERMSQT-ICSRJNTNSA-N 0 0 465.708 4.514 20 0 JJADRN C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313018 1066025384 /nfs/dbraw/zinc/02/53/84/1066025384.db2.gz CCNXNCWGFDKJQO-DNVCBOLYSA-N 0 0 453.986 4.520 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@H]2CCC=CO2)c1C ZINC001360878289 1066025502 /nfs/dbraw/zinc/02/55/02/1066025502.db2.gz UCGOTGSRWAVZEM-DHIUTWEWSA-N 0 0 497.640 4.642 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001441314138 1066025583 /nfs/dbraw/zinc/02/55/83/1066025583.db2.gz RTPYMEKMQRKUOE-UAFMIMERSA-N 0 0 457.615 4.779 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@H]2CCC=CO2)c1C ZINC001360878292 1066025569 /nfs/dbraw/zinc/02/55/69/1066025569.db2.gz UCGOTGSRWAVZEM-XZOQPEGZSA-N 0 0 497.640 4.642 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001441314132 1066025628 /nfs/dbraw/zinc/02/56/28/1066025628.db2.gz RTPYMEKMQRKUOE-IYWMVGAKSA-N 0 0 457.615 4.779 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCCNC(=O)c1ccccc1Cl ZINC001441313809 1066025642 /nfs/dbraw/zinc/02/56/42/1066025642.db2.gz QTEPSEKPLPWKCI-UHFFFAOYSA-N 0 0 457.357 4.661 20 0 JJADRN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC001360878348 1066026044 /nfs/dbraw/zinc/02/60/44/1066026044.db2.gz WBCBMFMKJNDKAF-UHFFFAOYSA-N 0 0 454.596 4.633 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360878876 1066027702 /nfs/dbraw/zinc/02/77/02/1066027702.db2.gz BPGDBXOEBLTONJ-RGZWJVDOSA-N 0 0 472.680 4.946 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2C[C@](C)(O)c2ccsc2)c1C ZINC001360878878 1066027758 /nfs/dbraw/zinc/02/77/58/1066027758.db2.gz BPGDBXOEBLTONJ-YJLYGGOZSA-N 0 0 472.680 4.946 20 0 JJADRN COc1cc(NC(=O)[C@H](CC(C)C)n2ccnc2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441321932 1066027893 /nfs/dbraw/zinc/02/78/93/1066027893.db2.gz LWFRUVDYDRISAB-WFXMLNOXSA-N 0 0 456.587 4.529 20 0 JJADRN CO[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1Br ZINC001441323626 1066028524 /nfs/dbraw/zinc/02/85/24/1066028524.db2.gz DFBAMWFNEFJXBE-WOJBJXKFSA-N 0 0 451.792 4.743 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)N(C)Cc3ccc(Br)o3)ccc21 ZINC001441328046 1066028954 /nfs/dbraw/zinc/02/89/54/1066028954.db2.gz OMUOZJHOPNKWAZ-UHFFFAOYSA-N 0 0 454.324 4.721 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC(C)(C)C(C)C)c1C ZINC001360879106 1066029009 /nfs/dbraw/zinc/02/90/09/1066029009.db2.gz FYDYGBFDAYFACX-VSKRKVRLSA-N 0 0 467.658 4.680 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2ncccc2N(C)C)c1C ZINC001360879136 1066029039 /nfs/dbraw/zinc/02/90/39/1066029039.db2.gz GXWWXCDVCAGENU-NHCUHLMSSA-N 0 0 478.641 4.548 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001441328401 1066029060 /nfs/dbraw/zinc/02/90/60/1066029060.db2.gz QFAOBGLXRIQADH-UHFFFAOYSA-N 0 0 455.234 4.867 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCCC(F)(F)F)c1C ZINC001360879146 1066029432 /nfs/dbraw/zinc/02/94/32/1066029432.db2.gz GZWJAWJFBLFDMD-SELNLUPBSA-N 0 0 482.547 4.762 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441329350 1066029633 /nfs/dbraw/zinc/02/96/33/1066029633.db2.gz WIIHVNKLVFHOOR-INIZCTEOSA-N 0 0 451.361 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360879347 1066029821 /nfs/dbraw/zinc/02/98/21/1066029821.db2.gz JTKYPNRSNTUNKY-DFHRPNOPSA-N 0 0 499.700 4.839 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@H]3C)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360879259 1066029920 /nfs/dbraw/zinc/02/99/20/1066029920.db2.gz IUOOEOOJAZEXBK-QUCCMNQESA-N 0 0 487.645 4.563 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001441338859 1066030236 /nfs/dbraw/zinc/03/02/36/1066030236.db2.gz YFLLDVKNPVAMBG-UHFFFAOYSA-N 0 0 451.539 4.868 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1csc(NC2CCCCC2)n1 ZINC001441345515 1066030853 /nfs/dbraw/zinc/03/08/53/1066030853.db2.gz DYFSTFANDVVEJG-UHFFFAOYSA-N 0 0 456.593 4.941 20 0 JJADRN O=C(NCc1ccc(-n2cncn2)nc1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001441343087 1066030896 /nfs/dbraw/zinc/03/08/96/1066030896.db2.gz NVCIPNBUUQVMMW-OAQYLSRUSA-N 0 0 453.930 4.605 20 0 JJADRN CCOc1ccc([C@H](NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c2ccccc2)cc1 ZINC001441343903 1066030973 /nfs/dbraw/zinc/03/09/73/1066030973.db2.gz SAWXYTZEPBICAV-UARRHKHWSA-N 0 0 450.579 4.794 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(F)(F)Br)c1C ZINC001360879541 1066030881 /nfs/dbraw/zinc/03/08/81/1066030881.db2.gz MFXCBVRHYYDWSI-HNNXBMFYSA-N 0 0 473.362 4.638 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1C ZINC001360879866 1066031494 /nfs/dbraw/zinc/03/14/94/1066031494.db2.gz RFCIUEHYUGDVAZ-NVXWUHKLSA-N 0 0 462.463 4.848 20 0 JJADRN Cc1ccc(SCCNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001441353449 1066031924 /nfs/dbraw/zinc/03/19/24/1066031924.db2.gz VZPROYWUEODFOT-JOCHJYFZSA-N 0 0 453.608 4.821 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCSC(C)C)c1C ZINC001360880033 1066032074 /nfs/dbraw/zinc/03/20/74/1066032074.db2.gz UZBWTXVKNGALNH-PUHATCMVSA-N 0 0 474.671 4.561 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCc2cccnc2)c1C ZINC001360880003 1066032088 /nfs/dbraw/zinc/03/20/88/1066032088.db2.gz UGKWZLOZAUNLQV-XUZZJYLKSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCSC(C)C)c1C ZINC001360880055 1066032415 /nfs/dbraw/zinc/03/24/15/1066032415.db2.gz VHVZCCDNDKUCCV-OTPAQWSUSA-N 0 0 474.671 4.561 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1NS(=O)(=O)c1ccccc1 ZINC001441353755 1066032526 /nfs/dbraw/zinc/03/25/26/1066032526.db2.gz PGTZJVDQLQKNJC-INIZCTEOSA-N 0 0 454.573 4.631 20 0 JJADRN CO[C@H](CNC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001360880444 1066033083 /nfs/dbraw/zinc/03/30/83/1066033083.db2.gz BVLDEYUBQUOBOT-PXDATVDWSA-N 0 0 458.986 4.723 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2cn[nH]c2)c1C ZINC001360880357 1066033123 /nfs/dbraw/zinc/03/31/23/1066033123.db2.gz ZWGCHHVWGOPZCE-FNZWTVRRSA-N 0 0 466.630 4.642 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CCOc2ncccc2Cl)cc1C ZINC001360880741 1066033723 /nfs/dbraw/zinc/03/37/23/1066033723.db2.gz BVFRUBLOQHTRSY-UHFFFAOYSA-N 0 0 481.000 4.821 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001441358349 1066033701 /nfs/dbraw/zinc/03/37/01/1066033701.db2.gz LJQWSCGMAMKTDU-UHFFFAOYSA-N 0 0 459.518 4.869 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccn4ncc(Br)c34)cn2)c1 ZINC001441360119 1066033927 /nfs/dbraw/zinc/03/39/27/1066033927.db2.gz UWLKSYLDDHJVMN-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001441359845 1066033938 /nfs/dbraw/zinc/03/39/38/1066033938.db2.gz SSMGYGLPOFDSCS-SFHVURJKSA-N 0 0 452.448 4.995 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(=O)NC(C)C)nnc3N(C)Cc3ccc(Cl)s3)cc2c1C ZINC001360881250 1066033971 /nfs/dbraw/zinc/03/39/71/1066033971.db2.gz JEJNMIJYIPIJAR-UHFFFAOYSA-N 0 0 471.030 4.914 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(C)C)nnc3N3CCC[C@@H](NC(=O)C(C)(C)C)C3)cc2c1C ZINC001360881450 1066034548 /nfs/dbraw/zinc/03/45/48/1066034548.db2.gz MRKKMJSPTBMLKS-HXUWFJFHSA-N 0 0 450.631 4.679 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360881420 1066034584 /nfs/dbraw/zinc/03/45/84/1066034584.db2.gz LTLSFWKBYWIURJ-ZVDOUQERSA-N 0 0 492.611 4.694 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360881742 1066034950 /nfs/dbraw/zinc/03/49/50/1066034950.db2.gz WQGUZSDWJGDROA-ZGFBMJKBSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441363503 1066035232 /nfs/dbraw/zinc/03/52/32/1066035232.db2.gz UFGGYXOCFYYTEU-UHFFFAOYSA-N 0 0 456.167 4.663 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(N4CCN(C(=O)OC(C)(C)C)CC4)nnc3C(C)(C)C)cc2c1C ZINC001360881959 1066035273 /nfs/dbraw/zinc/03/52/73/1066035273.db2.gz SXHASMPLNCAHHR-UHFFFAOYSA-N 0 0 466.630 4.779 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(OC(F)F)cc3OC(F)F)n[nH]2)cc1 ZINC001441366398 1066035555 /nfs/dbraw/zinc/03/55/55/1066035555.db2.gz CUFFBVHSHHOLMK-UHFFFAOYSA-N 0 0 456.421 4.714 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)N1CCCC1 ZINC001360882247 1066035619 /nfs/dbraw/zinc/03/56/19/1066035619.db2.gz CGFHAIPHAMFPQT-GOSISDBHSA-N 0 0 453.608 4.896 20 0 JJADRN Cc1cc(Cn2nnc(C(=O)N(C)[C@H](C)c3sc(-c4ccc(C)cc4)nc3C)c2C)no1 ZINC001360882365 1066035765 /nfs/dbraw/zinc/03/57/65/1066035765.db2.gz IAAAXXNPJHDUFM-QGZVFWFLSA-N 0 0 450.568 4.505 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441367988 1066035678 /nfs/dbraw/zinc/03/56/78/1066035678.db2.gz SMGQYSQJGCXOPI-IAGOWNOFSA-N 0 0 457.534 4.598 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CCC(C)=C(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001360882954 1066036470 /nfs/dbraw/zinc/03/64/70/1066036470.db2.gz FOZGUVVCYMFJFS-BKMJKUGQSA-N 0 0 454.615 4.641 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC(F)(F)Br)CC1 ZINC001360883418 1066036873 /nfs/dbraw/zinc/03/68/73/1066036873.db2.gz RADDYGWBPDAZKP-UHFFFAOYSA-N 0 0 479.167 4.580 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2c(F)cccc2c1 ZINC001441389440 1066036864 /nfs/dbraw/zinc/03/68/64/1066036864.db2.gz JFYVAWRTGDQEJB-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001441387974 1066036903 /nfs/dbraw/zinc/03/69/03/1066036903.db2.gz BTEWGDKRZWCVEA-OAQYLSRUSA-N 0 0 452.523 4.832 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCCCNc1ccc(C(F)(F)F)cn1 ZINC001441390510 1066037092 /nfs/dbraw/zinc/03/70/92/1066037092.db2.gz OIRZOFUWADUNKG-UHFFFAOYSA-N 0 0 450.686 4.677 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360883423 1066037127 /nfs/dbraw/zinc/03/71/27/1066037127.db2.gz RCNRMFULGZYXOH-INIZCTEOSA-N 0 0 458.488 4.880 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN1CCOC[C@@H]1C ZINC001360883480 1066037279 /nfs/dbraw/zinc/03/72/79/1066037279.db2.gz SZCKSWKCVQDORO-VXKWHMMOSA-N 0 0 488.076 4.956 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)n1 ZINC001441399866 1066037589 /nfs/dbraw/zinc/03/75/89/1066037589.db2.gz ATFQCWFNEJHMKW-INIZCTEOSA-N 0 0 452.580 4.589 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC001441404769 1066038234 /nfs/dbraw/zinc/03/82/34/1066038234.db2.gz KMNVSMQESIKNAL-JOCHJYFZSA-N 0 0 459.631 4.696 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c(OCC(C)C)c1 ZINC001441405489 1066038340 /nfs/dbraw/zinc/03/83/40/1066038340.db2.gz MNXNHEMHKLQNQE-UHFFFAOYSA-N 0 0 454.548 4.783 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1 ZINC001360884324 1066038327 /nfs/dbraw/zinc/03/83/27/1066038327.db2.gz QXKOHGWDQJSWAE-UHFFFAOYSA-N 0 0 459.527 4.982 20 0 JJADRN CCC(CC)CN(CC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O ZINC001441410152 1066038640 /nfs/dbraw/zinc/03/86/40/1066038640.db2.gz CILDAAFBIRQBAM-CJAUYULYSA-N 0 0 452.595 4.559 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001360884470 1066038815 /nfs/dbraw/zinc/03/88/15/1066038815.db2.gz VJPZLRXKUGHFED-JSRBNTPPSA-N 0 0 455.643 4.896 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC001441413811 1066039192 /nfs/dbraw/zinc/03/91/92/1066039192.db2.gz DKPGDAPBENFIJM-WNCULLNHSA-N 0 0 450.579 4.667 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc4cccnc43)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360885035 1066039516 /nfs/dbraw/zinc/03/95/16/1066039516.db2.gz PWMUDGQRYAOUHZ-LJQANCHMSA-N 0 0 462.598 4.953 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001441424409 1066040036 /nfs/dbraw/zinc/04/00/36/1066040036.db2.gz VUJNNQHPMJYWHG-AWEZNQCLSA-N 0 0 453.461 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC001441424518 1066040087 /nfs/dbraw/zinc/04/00/87/1066040087.db2.gz DHKBGBIHDATKKX-WNCULLNHSA-N 0 0 450.579 4.667 20 0 JJADRN Cc1cc(Cl)cc2c1N(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)CCC2 ZINC001360885797 1066040264 /nfs/dbraw/zinc/04/02/64/1066040264.db2.gz WSSTWKJDLRWLPZ-UHFFFAOYSA-N 0 0 455.407 4.972 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)c1 ZINC001360885643 1066040363 /nfs/dbraw/zinc/04/03/63/1066040363.db2.gz PPNRJGLBYLABOE-XZOQPEGZSA-N 0 0 458.649 4.725 20 0 JJADRN C[C@H](NC(=O)[C@@H](O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441425800 1066040463 /nfs/dbraw/zinc/04/04/63/1066040463.db2.gz GABUYXMTUMXNFV-BTYIYWSLSA-N 0 0 453.336 4.612 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)CC2)cc1 ZINC001360886719 1066040879 /nfs/dbraw/zinc/04/08/79/1066040879.db2.gz DUICUIKUSCNGRT-UHFFFAOYSA-N 0 0 458.331 4.802 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)NCc3cccc(COCc4ccccc4)c3)n[nH]2)cc1 ZINC001441429621 1066041186 /nfs/dbraw/zinc/04/11/86/1066041186.db2.gz QQOUQNTYUPRELS-UHFFFAOYSA-N 0 0 458.587 4.905 20 0 JJADRN CC(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001441431457 1066041282 /nfs/dbraw/zinc/04/12/82/1066041282.db2.gz ZFURSZMKSKLNFG-UHFFFAOYSA-N 0 0 456.539 4.559 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C(C)C)cc3)c2)cc1 ZINC001441430384 1066041327 /nfs/dbraw/zinc/04/13/27/1066041327.db2.gz UCHPVNONVLGJKS-UHFFFAOYSA-N 0 0 452.576 4.728 20 0 JJADRN CCN(CC)c1ccc(CNC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 ZINC001441443484 1066041411 /nfs/dbraw/zinc/04/14/11/1066041411.db2.gz HGXVQKWKNLGALO-UHFFFAOYSA-N 0 0 451.415 4.805 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)c2cnn(C(C)C)c2N)N2CCc3sccc3C2)cc1 ZINC001441460068 1066042430 /nfs/dbraw/zinc/04/24/30/1066042430.db2.gz CDNSPGCIKJPEIW-QFIPXVFZSA-N 0 0 451.640 4.761 20 0 JJADRN COc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1S(C)(=O)=O ZINC001360890165 1066042757 /nfs/dbraw/zinc/04/27/57/1066042757.db2.gz DEWLPJIKZFWLQS-UHFFFAOYSA-N 0 0 455.498 4.707 20 0 JJADRN COc1nc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)co1 ZINC001441468326 1066043935 /nfs/dbraw/zinc/04/39/35/1066043935.db2.gz NYWPYPFJKRMLHX-QGZVFWFLSA-N 0 0 452.363 4.581 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001360892126 1066044047 /nfs/dbraw/zinc/04/40/47/1066044047.db2.gz MNAZEPROELTUFK-VWLOTQADSA-N 0 0 452.624 4.990 20 0 JJADRN Cc1cc(C)nc(NC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)c1 ZINC001545942144 1066044087 /nfs/dbraw/zinc/04/40/87/1066044087.db2.gz LAGIONASPGCMEL-UHFFFAOYSA-N 0 0 459.575 4.897 20 0 JJADRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC001441475016 1066044591 /nfs/dbraw/zinc/04/45/91/1066044591.db2.gz ZBEABCJGSIFFHO-HXUWFJFHSA-N 0 0 452.599 4.863 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC001441474958 1066044651 /nfs/dbraw/zinc/04/46/51/1066044651.db2.gz XOXMFERTCBHLIX-PWRODBHTSA-N 0 0 461.027 4.597 20 0 JJADRN CCCCNc1nc(CC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cs1 ZINC001441476138 1066044930 /nfs/dbraw/zinc/04/49/30/1066044930.db2.gz TZSZPQPTACPUFJ-NRFANRHFSA-N 0 0 454.665 4.875 20 0 JJADRN CCn1cc(Br)cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001441476838 1066045013 /nfs/dbraw/zinc/04/50/13/1066045013.db2.gz VEWHQUAIWIEUNA-FQEVSTJZSA-N 0 0 458.425 4.861 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCCC(F)(F)C3)CC2)oc1C ZINC001360892777 1066045272 /nfs/dbraw/zinc/04/52/72/1066045272.db2.gz LVRXTJNAGDBCFO-LJQANCHMSA-N 0 0 450.578 4.544 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)COCCO2)CC1 ZINC001360892835 1066045297 /nfs/dbraw/zinc/04/52/97/1066045297.db2.gz OHCCPRUEWCDJNL-JOCHJYFZSA-N 0 0 467.397 4.516 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CCOc3ccccc3C(C)C)CC2)oc1C ZINC001360892869 1066045370 /nfs/dbraw/zinc/04/53/70/1066045370.db2.gz PKSFWKVSFITLQE-UHFFFAOYSA-N 0 0 480.657 4.705 20 0 JJADRN CC1=C(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 ZINC001360893006 1066045577 /nfs/dbraw/zinc/04/55/77/1066045577.db2.gz VHJPVCLKOYQHRS-UHFFFAOYSA-N 0 0 462.019 4.613 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360893122 1066045645 /nfs/dbraw/zinc/04/56/45/1066045645.db2.gz ZKVJHRCSKUVKBV-WOJBJXKFSA-N 0 0 461.651 4.610 20 0 JJADRN CC(C)(CO)[C@@H](CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccccc1 ZINC001545942257 1066045687 /nfs/dbraw/zinc/04/56/87/1066045687.db2.gz OZHBYLHEGQMRGJ-FQEVSTJZSA-N 0 0 457.640 4.731 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC3(C(=O)N(C)C)CCCC3)C2)sc1C ZINC001360893940 1066046063 /nfs/dbraw/zinc/04/60/63/1066046063.db2.gz BMDCMTKLXQJARF-LJQANCHMSA-N 0 0 472.703 4.682 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)on1 ZINC001441493733 1066046609 /nfs/dbraw/zinc/04/66/09/1066046609.db2.gz LNAVNTKNDFHGOL-MOUTVQLLSA-N 0 0 451.611 4.836 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)on1 ZINC001441493105 1066046627 /nfs/dbraw/zinc/04/66/27/1066046627.db2.gz KLHSNRNWVPNZQN-NRFANRHFSA-N 0 0 452.555 4.830 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C4CC4)n3CCCNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894343 1066046869 /nfs/dbraw/zinc/04/68/69/1066046869.db2.gz NVSLHQUOWBDIGE-GOSISDBHSA-N 0 0 460.648 4.528 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccccc3)CC2)oc1C ZINC001360894311 1066046890 /nfs/dbraw/zinc/04/68/90/1066046890.db2.gz NAWBYNRTFAEWLE-FQEVSTJZSA-N 0 0 450.631 4.597 20 0 JJADRN Cc1nc(CN2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCC(C)(C)C)CC2)oc1C ZINC001360894306 1066046915 /nfs/dbraw/zinc/04/69/15/1066046915.db2.gz MWQXINCJYFYBBE-FYYLOGMGSA-N 0 0 486.705 4.950 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C2)sc1C ZINC001360894941 1066047603 /nfs/dbraw/zinc/04/76/03/1066047603.db2.gz XWOXDWVNZVAXQN-NRFANRHFSA-N 0 0 461.676 4.692 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CC(=O)NC(C)C)C2)sc1C ZINC001360895005 1066047628 /nfs/dbraw/zinc/04/76/28/1066047628.db2.gz XXYJCTCJTXMUGY-QGZVFWFLSA-N 0 0 473.046 4.580 20 0 JJADRN CN(CC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC001441520921 1066047898 /nfs/dbraw/zinc/04/78/98/1066047898.db2.gz NJRYEQCGEXLHBQ-UHFFFAOYSA-N 0 0 459.443 4.890 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(Cc4cccnc4)n3C[C@@](C)(O)CCC(C)C)C2)sc1C ZINC001360895430 1066048053 /nfs/dbraw/zinc/04/80/53/1066048053.db2.gz BYMDFUXDADMEIL-GJZUVCINSA-N 0 0 482.698 4.908 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545942663 1066048254 /nfs/dbraw/zinc/04/82/54/1066048254.db2.gz CBPYRBMXSMVURB-UNVFRBQDSA-N 0 0 453.631 4.741 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCc1ccc(F)cc1C ZINC001545942658 1066048303 /nfs/dbraw/zinc/04/83/03/1066048303.db2.gz BWLOHPUSZNLMEQ-DNVCBOLYSA-N 0 0 469.527 4.521 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441538276 1066049372 /nfs/dbraw/zinc/04/93/72/1066049372.db2.gz VSXYWGHVGZYYSE-HNNXBMFYSA-N 0 0 459.443 4.841 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CCCc4ccccc4)n3CCC(=O)NC(C)C)C2)sc1C ZINC001360895986 1066049379 /nfs/dbraw/zinc/04/93/79/1066049379.db2.gz QRMBACCMMJDFNE-HSZRJFAPSA-N 0 0 494.709 4.825 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2c(F)ccnc2Cl)cc1 ZINC001441545031 1066049563 /nfs/dbraw/zinc/04/95/63/1066049563.db2.gz AIJGMYJVTCKTIE-UHFFFAOYSA-N 0 0 455.917 4.910 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCc2cnccn2)sc1C ZINC001360896074 1066049765 /nfs/dbraw/zinc/04/97/65/1066049765.db2.gz TUEOULOBTXRLTP-QGZVFWFLSA-N 0 0 498.056 4.856 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1cscc1C(F)(F)F ZINC001545942769 1066050088 /nfs/dbraw/zinc/05/00/88/1066050088.db2.gz GMGJNKCTUSRKAQ-BXUZGUMPSA-N 0 0 497.509 4.960 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2ccnc(Cl)c2F)cc1 ZINC001441552419 1066050132 /nfs/dbraw/zinc/05/01/32/1066050132.db2.gz KCPIDMMUJHMECD-UHFFFAOYSA-N 0 0 455.917 4.910 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC4CC4)n3C[C@@H](C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360896280 1066050152 /nfs/dbraw/zinc/05/01/52/1066050152.db2.gz ZUBSBGXLALNRIR-BEFAXECRSA-N 0 0 474.675 4.601 20 0 JJADRN CCN(C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001360896311 1066050236 /nfs/dbraw/zinc/05/02/36/1066050236.db2.gz AKMQCJGYHZIBBP-RPBOFIJWSA-N 0 0 455.549 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC001441557254 1066050522 /nfs/dbraw/zinc/05/05/22/1066050522.db2.gz GJAAERQZMCDDDT-KRWDZBQOSA-N 0 0 456.518 4.591 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)Cc2c[nH]c3ncccc23)cc1 ZINC001441555527 1066050610 /nfs/dbraw/zinc/05/06/10/1066050610.db2.gz QIAZHMQFAVFGSY-UHFFFAOYSA-N 0 0 456.546 4.528 20 0 JJADRN COc1ncccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441556727 1066050844 /nfs/dbraw/zinc/05/08/44/1066050844.db2.gz DKSZXTJJYWNXAE-XMMPIXPASA-N 0 0 459.546 4.982 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360898052 1066051031 /nfs/dbraw/zinc/05/10/31/1066051031.db2.gz LZLNBBCWHYWOJU-SFHVURJKSA-N 0 0 490.471 4.887 20 0 JJADRN Cc1nc(CCn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)sc1C ZINC001360898399 1066051099 /nfs/dbraw/zinc/05/10/99/1066051099.db2.gz QNSXAJCJJWBMLL-AWEZNQCLSA-N 0 0 455.538 4.527 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3F)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360898705 1066051411 /nfs/dbraw/zinc/05/14/11/1066051411.db2.gz ZMEMGRUJDUIXCW-QGZVFWFLSA-N 0 0 486.617 4.504 20 0 JJADRN Cc1nc(CCn2c(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)sc1C ZINC001360898744 1066051421 /nfs/dbraw/zinc/05/14/21/1066051421.db2.gz BHCBDTYNPXIGLP-UHFFFAOYSA-N 0 0 476.691 4.727 20 0 JJADRN Cc1nc2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)ccc2n1Cc1ccsc1 ZINC001441567408 1066051471 /nfs/dbraw/zinc/05/14/71/1066051471.db2.gz WUUMAHXZKUIGJM-UHFFFAOYSA-N 0 0 454.596 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)CCC[C@H]12 ZINC001441566011 1066051501 /nfs/dbraw/zinc/05/15/01/1066051501.db2.gz VRUJWQKHUMWHPN-NBGIEHNGSA-N 0 0 468.529 4.591 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(CO)CC2)sc1C ZINC001360898791 1066051864 /nfs/dbraw/zinc/05/18/64/1066051864.db2.gz CXMKRERVVPKEJA-UHFFFAOYSA-N 0 0 483.682 4.679 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CC[C@@H](COCc3ccccc3)C2)sc1C ZINC001360898934 1066051888 /nfs/dbraw/zinc/05/18/88/1066051888.db2.gz FAGOWZUSUOMYMF-JOCHJYFZSA-N 0 0 453.656 4.836 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1NC(=O)N1CCCC1 ZINC001441570911 1066051908 /nfs/dbraw/zinc/05/19/08/1066051908.db2.gz SEWAQPVRQSMWSP-UHFFFAOYSA-N 0 0 455.868 4.822 20 0 JJADRN CCC[C@H](C(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccn1 ZINC001441573669 1066052110 /nfs/dbraw/zinc/05/21/10/1066052110.db2.gz SCWRIGRSPOSKGE-QFIPXVFZSA-N 0 0 453.564 4.555 20 0 JJADRN Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)sc1C ZINC001360899467 1066052737 /nfs/dbraw/zinc/05/27/37/1066052737.db2.gz NHVUENWZMMJMFF-AWEZNQCLSA-N 0 0 464.060 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001545943073 1066052946 /nfs/dbraw/zinc/05/29/46/1066052946.db2.gz RJRJOFILPITUIK-DNQXCXABSA-N 0 0 485.648 4.878 20 0 JJADRN Cc1nc(CCn2c(CCOc3ccccc3)nnc2N2CCC(OC(C)C)CC2)sc1C ZINC001360900060 1066053360 /nfs/dbraw/zinc/05/33/60/1066053360.db2.gz XIGNFJICOWALCD-UHFFFAOYSA-N 0 0 469.655 4.609 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N2CCC([C@@H](CC(=O)OCC)c3ccccc3)CC2)cn1 ZINC001441608771 1066053457 /nfs/dbraw/zinc/05/34/57/1066053457.db2.gz BPUUAWJEXXOFPK-DEOSSOPVSA-N 0 0 451.611 4.907 20 0 JJADRN O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001441612793 1066053637 /nfs/dbraw/zinc/05/36/37/1066053637.db2.gz GGRAFFVRQZNGMX-UHFFFAOYSA-N 0 0 457.500 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001441614076 1066054197 /nfs/dbraw/zinc/05/41/97/1066054197.db2.gz MTIGDOJTKRDYNX-HSZRJFAPSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H]2C(C)C)sc1C ZINC001360901258 1066054461 /nfs/dbraw/zinc/05/44/61/1066054461.db2.gz KFTMRLZJYMRJHL-MRXNPFEDSA-N 0 0 463.449 4.793 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2cccc(OCc3cccnc3)c2)cs1 ZINC001441620922 1066055002 /nfs/dbraw/zinc/05/50/02/1066055002.db2.gz DDJDBPSITMKHIM-HNNXBMFYSA-N 0 0 454.552 4.955 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)sc1C ZINC001360901660 1066055458 /nfs/dbraw/zinc/05/54/58/1066055458.db2.gz XYKLSRFSKFDXML-INIZCTEOSA-N 0 0 489.617 4.514 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)CC[C@H]2C)sc1C ZINC001360901684 1066055586 /nfs/dbraw/zinc/05/55/86/1066055586.db2.gz YOECBQMFYBMQQD-CHWSQXEVSA-N 0 0 463.449 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCCc1ccc(OC)cc1 ZINC001545943235 1066055979 /nfs/dbraw/zinc/05/59/79/1066055979.db2.gz XYQYQZMJQWNZRS-IBVKSMDESA-N 0 0 453.631 4.607 20 0 JJADRN Cc1nc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360902724 1066056346 /nfs/dbraw/zinc/05/63/46/1066056346.db2.gz NDKDZJZNXHOABC-SFHVURJKSA-N 0 0 474.675 4.751 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C(C)C)C2)sc1C ZINC001360902608 1066056383 /nfs/dbraw/zinc/05/63/83/1066056383.db2.gz KJPIPJFTOAQXCC-GOSISDBHSA-N 0 0 494.434 4.830 20 0 JJADRN Cc1nc(Cn2c(-c3ccccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)sc1C ZINC001360902730 1066056394 /nfs/dbraw/zinc/05/63/94/1066056394.db2.gz NJFZAJFPKKKRFL-UHFFFAOYSA-N 0 0 465.530 4.573 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001441646500 1066057288 /nfs/dbraw/zinc/05/72/88/1066057288.db2.gz VSYRNUKSLAHJHD-UHFFFAOYSA-N 0 0 455.555 4.536 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC=C(Br)C2)sc1C ZINC001360903268 1066057170 /nfs/dbraw/zinc/05/71/70/1066057170.db2.gz VZFALEFRPQKLAX-UHFFFAOYSA-N 0 0 465.808 4.604 20 0 JJADRN Cc1nc(Cn2c(CC3CCCC3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)sc1C ZINC001360904424 1066057999 /nfs/dbraw/zinc/05/79/99/1066057999.db2.gz ILCKLLSDQSXIEC-IBGZPJMESA-N 0 0 480.682 4.788 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC001441656370 1066058151 /nfs/dbraw/zinc/05/81/51/1066058151.db2.gz DMWLQBNWVSMJGH-CALCHBBNSA-N 0 0 459.612 4.981 20 0 JJADRN C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC001441656375 1066058213 /nfs/dbraw/zinc/05/82/13/1066058213.db2.gz DMWLQBNWVSMJGH-IRXDYDNUSA-N 0 0 459.612 4.981 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3c(F)cc(F)c(F)c3F)CC2)sc1C ZINC001360904695 1066058297 /nfs/dbraw/zinc/05/82/97/1066058297.db2.gz CRUFKNOBZQIADV-UHFFFAOYSA-N 0 0 482.551 4.580 20 0 JJADRN Cc1nc(Cn2c(CCc3ccccc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)sc1C ZINC001360904687 1066058319 /nfs/dbraw/zinc/05/83/19/1066058319.db2.gz MSGVUZGQUKHBJV-UHFFFAOYSA-N 0 0 496.681 4.678 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(C)C)CC2)sc1C ZINC001360904996 1066058705 /nfs/dbraw/zinc/05/87/05/1066058705.db2.gz JGBYPWXMPCAHAO-UHFFFAOYSA-N 0 0 475.062 4.814 20 0 JJADRN Cc1nc(Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)sc1C ZINC001360905213 1066059184 /nfs/dbraw/zinc/05/91/84/1066059184.db2.gz VOHSZCWLDULQKX-AWEZNQCLSA-N 0 0 456.616 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441670941 1066059559 /nfs/dbraw/zinc/05/95/59/1066059559.db2.gz YNGLYTOGRJFVGO-NHCUHLMSSA-N 0 0 452.942 4.761 20 0 JJADRN Cc1nc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Br)cs2)sc1C ZINC001360905270 1066059585 /nfs/dbraw/zinc/05/95/85/1066059585.db2.gz WIABHCLPRNIYJN-UHFFFAOYSA-N 0 0 489.468 4.846 20 0 JJADRN COc1ccc(OC2CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001441673925 1066059808 /nfs/dbraw/zinc/05/98/08/1066059808.db2.gz UQOONIVPQFEKBH-AREMUKBSSA-N 0 0 454.567 4.505 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)C)n3Cc3cccc(OCC(F)(F)F)c3)CC2)sc1C ZINC001360905631 1066059846 /nfs/dbraw/zinc/05/98/46/1066059846.db2.gz WXZBTSNFESOHOS-UHFFFAOYSA-N 0 0 494.587 4.791 20 0 JJADRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001441671533 1066060019 /nfs/dbraw/zinc/06/00/19/1066060019.db2.gz QNKTWUGPYFDXOA-ZACQAIPSSA-N 0 0 450.505 4.787 20 0 JJADRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 ZINC001441678514 1066060395 /nfs/dbraw/zinc/06/03/95/1066060395.db2.gz HOROTAZVMMGIDF-UHFFFAOYSA-N 0 0 450.539 4.608 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001492597681 1066060819 /nfs/dbraw/zinc/06/08/19/1066060819.db2.gz DDHAZCKPFYWYGV-CGXNFDGLSA-N 0 0 487.620 4.920 20 0 JJADRN CCOc1ccc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)cc1Cl ZINC001441687260 1066061189 /nfs/dbraw/zinc/06/11/89/1066061189.db2.gz PDTLEYFGCJUOPN-UHFFFAOYSA-N 0 0 458.946 4.752 20 0 JJADRN CO[C@H](C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1C(F)(F)F ZINC001360907093 1066061242 /nfs/dbraw/zinc/06/12/42/1066061242.db2.gz UFKZEWVPAAOEGC-RBZFPXEDSA-N 0 0 454.876 4.655 20 0 JJADRN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001441692390 1066061592 /nfs/dbraw/zinc/06/15/92/1066061592.db2.gz PPJKQDZHIFDGJS-UHFFFAOYSA-N 0 0 451.995 4.844 20 0 JJADRN CCN(Cc1ccc(OC)cc1)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001441689497 1066061736 /nfs/dbraw/zinc/06/17/36/1066061736.db2.gz FQZZSYFADARNRP-UHFFFAOYSA-N 0 0 459.612 4.929 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@H]1CCC[C@H]1C ZINC001360907358 1066061623 /nfs/dbraw/zinc/06/16/23/1066061623.db2.gz DAABLBPOMIORRW-YLJYHZDGSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC001441695076 1066062036 /nfs/dbraw/zinc/06/20/36/1066062036.db2.gz QQHZCMCDAPJFES-AREMUKBSSA-N 0 0 458.606 4.748 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001441693442 1066062130 /nfs/dbraw/zinc/06/21/30/1066062130.db2.gz RAIZXRKMVIZQSU-SFHVURJKSA-N 0 0 457.571 4.782 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)[C@H]1Cc2cc(Cl)ccc2O1)Nc1ccccc1F ZINC001441701077 1066062617 /nfs/dbraw/zinc/06/26/17/1066062617.db2.gz GPLOJSUHZATVLR-JOCHJYFZSA-N 0 0 456.876 4.589 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C2CCC(C)CC2)n1CCCC(C)C ZINC001360908008 1066062859 /nfs/dbraw/zinc/06/28/59/1066062859.db2.gz XOZMWFPRGXMKTG-UHFFFAOYSA-N 0 0 460.692 4.998 20 0 JJADRN CC(C)c1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)c(=O)[nH]1 ZINC001441701216 1066062795 /nfs/dbraw/zinc/06/27/95/1066062795.db2.gz HVXOWRCYFCSABA-UHFFFAOYSA-N 0 0 455.917 4.984 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csc(NC2CC2)n1)Nc1ccccc1F ZINC001441701258 1066062933 /nfs/dbraw/zinc/06/29/33/1066062933.db2.gz IECXNIBHZFSJQM-UHFFFAOYSA-N 0 0 458.946 4.791 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCO[C@H]1CCCC[C@H]1C ZINC001360908299 1066063495 /nfs/dbraw/zinc/06/34/95/1066063495.db2.gz HRCAGDNRWXZNKY-CTNGQTDRSA-N 0 0 490.718 4.624 20 0 JJADRN Cc1cc(C(=O)NCc2nc(-c3ccccc3)cs2)nn1-c1ccccc1Br ZINC001441714781 1066063653 /nfs/dbraw/zinc/06/36/53/1066063653.db2.gz YIWUUNYWKIZTTG-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001360908403 1066063726 /nfs/dbraw/zinc/06/37/26/1066063726.db2.gz JTKWVOFJTPVTNI-IBGZPJMESA-N 0 0 487.695 4.684 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CCN1CCOCC1(C)C ZINC001360908401 1066063751 /nfs/dbraw/zinc/06/37/51/1066063751.db2.gz JROKRVYKXPQLAE-UHFFFAOYSA-N 0 0 468.671 4.580 20 0 JJADRN COc1ccc(Br)c(CNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)c1 ZINC001441719037 1066063810 /nfs/dbraw/zinc/06/38/10/1066063810.db2.gz ZRPPRVFKXBDBLH-HNNXBMFYSA-N 0 0 455.352 4.932 20 0 JJADRN COc1ccc(Br)c(CNC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)c1 ZINC001441719041 1066063882 /nfs/dbraw/zinc/06/38/82/1066063882.db2.gz ZRPPRVFKXBDBLH-OAHLLOKOSA-N 0 0 455.352 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 ZINC001441713921 1066063895 /nfs/dbraw/zinc/06/38/95/1066063895.db2.gz NBBNZSLPAKVBHT-UHFFFAOYSA-N 0 0 453.514 4.513 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CC1(C)CCCC1 ZINC001360908444 1066064098 /nfs/dbraw/zinc/06/40/98/1066064098.db2.gz KSXJYPNFGUEADC-UHFFFAOYSA-N 0 0 460.692 4.998 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1CC1(O)CCC1 ZINC001360908673 1066064450 /nfs/dbraw/zinc/06/44/50/1066064450.db2.gz OSULTEHMDAKIBU-UHFFFAOYSA-N 0 0 455.628 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1 ZINC001441733370 1066065131 /nfs/dbraw/zinc/06/51/31/1066065131.db2.gz NRRSVFONWCOIMI-HZPDHXFCSA-N 0 0 459.568 4.603 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CC(F)(F)c1ccccc1 ZINC001360909031 1066065195 /nfs/dbraw/zinc/06/51/95/1066065195.db2.gz VIUTUXBTDMRHSZ-UHFFFAOYSA-N 0 0 490.624 4.821 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CCC(=O)N(C)C ZINC001360909058 1066065300 /nfs/dbraw/zinc/06/53/00/1066065300.db2.gz WMASGPSSJKQNHX-UHFFFAOYSA-N 0 0 454.644 4.726 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC(C)(C)C ZINC001360909019 1066065396 /nfs/dbraw/zinc/06/53/96/1066065396.db2.gz VCJBTUIACJVMMZ-UHFFFAOYSA-N 0 0 490.718 4.767 20 0 JJADRN CC(C)c1[nH]nc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1Br ZINC001441732559 1066065308 /nfs/dbraw/zinc/06/53/08/1066065308.db2.gz RHHKHGOWPGNRDB-UHFFFAOYSA-N 0 0 459.319 4.617 20 0 JJADRN Cc1sc(NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)nc1-c1ccccc1 ZINC001441732472 1066065370 /nfs/dbraw/zinc/06/53/70/1066065370.db2.gz KYYSWTMSIYGWKS-QHCPKHFHSA-N 0 0 456.568 4.603 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C2CCCC2)n1CCC(C)(F)F ZINC001360909063 1066065422 /nfs/dbraw/zinc/06/54/22/1066065422.db2.gz WTKUPSCDQOCCPX-UHFFFAOYSA-N 0 0 482.645 4.997 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC001441737673 1066065552 /nfs/dbraw/zinc/06/55/52/1066065552.db2.gz XMHIGCIPTCGEHQ-UHFFFAOYSA-N 0 0 451.567 4.679 20 0 JJADRN COc1cccc(Nc2ccccc2C(=O)NCC(=O)Nc2ccc(Br)cc2)c1 ZINC001441737883 1066065601 /nfs/dbraw/zinc/06/56/01/1066065601.db2.gz ZDFIHCHQKDDLKO-UHFFFAOYSA-N 0 0 454.324 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3nnc(SCc4ccccc4)s3)CCC[C@H]12 ZINC001441735935 1066065701 /nfs/dbraw/zinc/06/57/01/1066065701.db2.gz XDNZLYMSGHFTLR-KSFYIVLOSA-N 0 0 460.625 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC001441735824 1066065769 /nfs/dbraw/zinc/06/57/69/1066065769.db2.gz WFPUIWBBWJSNOQ-SFHVURJKSA-N 0 0 455.580 4.771 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910456 1066066550 /nfs/dbraw/zinc/06/65/50/1066066550.db2.gz GVYRLEXAADQAMP-MSOLQXFVSA-N 0 0 466.655 4.774 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545944379 1066067024 /nfs/dbraw/zinc/06/70/24/1066067024.db2.gz GTRLJVBRTVQUPD-HDICACEKSA-N 0 0 491.627 4.910 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C(C)C)CC2)n1CCCC(F)(F)F ZINC001360910844 1066067372 /nfs/dbraw/zinc/06/73/72/1066067372.db2.gz QTRVUYQXTTWIFH-UHFFFAOYSA-N 0 0 486.608 4.762 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCCC(F)(F)F ZINC001360910737 1066067434 /nfs/dbraw/zinc/06/74/34/1066067434.db2.gz OALJMNZHQRWFSB-HUUCEWRRSA-N 0 0 472.581 4.514 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360911173 1066068203 /nfs/dbraw/zinc/06/82/03/1066068203.db2.gz FAMQZZULABLBGK-GCJKJVERSA-N 0 0 473.021 4.597 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCCC(C)(C)C ZINC001360911378 1066068216 /nfs/dbraw/zinc/06/82/16/1066068216.db2.gz JOKNUWWTYLVLPX-MSOLQXFVSA-N 0 0 478.732 4.703 20 0 JJADRN COC(=O)C[C@H](C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC001441765971 1066068527 /nfs/dbraw/zinc/06/85/27/1066068527.db2.gz PTTDDUAJOBULPT-VIFPVBQESA-N 0 0 454.392 4.909 20 0 JJADRN C[S@@](=O)c1ccc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC001441769443 1066068555 /nfs/dbraw/zinc/06/85/55/1066068555.db2.gz YWPCIFIWSLOFMS-SSEXGKCCSA-N 0 0 454.495 4.551 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001360911603 1066068616 /nfs/dbraw/zinc/06/86/16/1066068616.db2.gz QYRVMKANXYEITP-JKSUJKDBSA-N 0 0 457.420 4.997 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCSC[C@H]2C)n1CCN(C)CC(F)(F)F ZINC001360911610 1066068674 /nfs/dbraw/zinc/06/86/74/1066068674.db2.gz REKNOPJIVQAUCE-OAHLLOKOSA-N 0 0 496.628 4.813 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)C2)n1 ZINC001441775057 1066068904 /nfs/dbraw/zinc/06/89/04/1066068904.db2.gz RFIZPSICLOKJLC-HNNXBMFYSA-N 0 0 458.440 4.555 20 0 JJADRN Cc1n[nH]cc1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360911825 1066068977 /nfs/dbraw/zinc/06/89/77/1066068977.db2.gz YAWBFJYUFZABFC-KRWDZBQOSA-N 0 0 498.056 4.785 20 0 JJADRN COc1cc(CN(C)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(SC)cc1OC ZINC001360913857 1066070114 /nfs/dbraw/zinc/07/01/14/1066070114.db2.gz LBLABLZSVPOFMQ-UHFFFAOYSA-N 0 0 458.624 4.502 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C)C1 ZINC001360913423 1066070150 /nfs/dbraw/zinc/07/01/50/1066070150.db2.gz XKCXDQLWCVHXGN-AWEZNQCLSA-N 0 0 461.383 4.747 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001360913712 1066070160 /nfs/dbraw/zinc/07/01/60/1066070160.db2.gz GYLCHJRXOUZZPJ-XTJBDQBJSA-N 0 0 454.636 4.699 20 0 JJADRN Cc1nc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)sc1Cc1cccc(Br)c1 ZINC001441797201 1066070208 /nfs/dbraw/zinc/07/02/08/1066070208.db2.gz IKRBSZPYRKLATF-UHFFFAOYSA-N 0 0 454.353 4.842 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C)C1 ZINC001360913424 1066070209 /nfs/dbraw/zinc/07/02/09/1066070209.db2.gz XKCXDQLWCVHXGN-CQSZACIVSA-N 0 0 461.383 4.747 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360914487 1066070550 /nfs/dbraw/zinc/07/05/50/1066070550.db2.gz GDQQSEJYDGOLSK-GOSISDBHSA-N 0 0 478.567 4.588 20 0 JJADRN Cc1n[nH]cc1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360914785 1066070701 /nfs/dbraw/zinc/07/07/01/1066070701.db2.gz NHWOLZFPPTVSOT-QFIPXVFZSA-N 0 0 485.677 4.539 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360914579 1066070792 /nfs/dbraw/zinc/07/07/92/1066070792.db2.gz HFXKEWCZCLQINB-UHFFFAOYSA-N 0 0 469.515 4.583 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c2ccccc2)cc1 ZINC001360915224 1066071011 /nfs/dbraw/zinc/07/10/11/1066071011.db2.gz AHZZNNHATJUCNH-LVXARBLLSA-N 0 0 452.558 4.919 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001492597765 1066071057 /nfs/dbraw/zinc/07/10/57/1066071057.db2.gz GAGIRRSRQGTCEB-QUCCMNQESA-N 0 0 455.628 4.677 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001441808622 1066071186 /nfs/dbraw/zinc/07/11/86/1066071186.db2.gz ZQIMNJCFMDQGOZ-JOCHJYFZSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001441810848 1066071497 /nfs/dbraw/zinc/07/14/97/1066071497.db2.gz GQQKAOLHPWCZGR-UHFFFAOYSA-N 0 0 457.496 4.595 20 0 JJADRN CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC001441811814 1066071624 /nfs/dbraw/zinc/07/16/24/1066071624.db2.gz MQYQOVKEFLTPPI-FQEVSTJZSA-N 0 0 458.400 4.536 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001441810325 1066071635 /nfs/dbraw/zinc/07/16/35/1066071635.db2.gz LYBYPDYEVIXDOD-GOSISDBHSA-N 0 0 450.926 4.722 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC001441810253 1066071661 /nfs/dbraw/zinc/07/16/61/1066071661.db2.gz LPWILZBXDRMIFD-UHFFFAOYSA-N 0 0 451.910 4.724 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001360916164 1066071858 /nfs/dbraw/zinc/07/18/58/1066071858.db2.gz DBLKCWSAXMIQEC-DOTOQJQBSA-N 0 0 473.419 4.519 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1 ZINC001441812114 1066072060 /nfs/dbraw/zinc/07/20/60/1066072060.db2.gz KRVNLBSACQXSQW-UHFFFAOYSA-N 0 0 451.527 4.553 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccc(Cl)cc1 ZINC001360917266 1066072530 /nfs/dbraw/zinc/07/25/30/1066072530.db2.gz MSFFLISUCRZGQW-YJBOKZPZSA-N 0 0 455.045 4.535 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC001441816289 1066072884 /nfs/dbraw/zinc/07/28/84/1066072884.db2.gz CQFJWVUGYDJYST-QGZVFWFLSA-N 0 0 455.986 4.568 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)cc1 ZINC001441817784 1066072967 /nfs/dbraw/zinc/07/29/67/1066072967.db2.gz TVLYEVOGUFBYSP-UHFFFAOYSA-N 0 0 457.534 4.512 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001360917880 1066072888 /nfs/dbraw/zinc/07/28/88/1066072888.db2.gz DHVZIIOUGVGVQC-ZWKOTPCHSA-N 0 0 459.591 4.570 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001441818148 1066073067 /nfs/dbraw/zinc/07/30/67/1066073067.db2.gz QTBCPOLXFBXATH-UHFFFAOYSA-N 0 0 452.230 4.937 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001360918304 1066073917 /nfs/dbraw/zinc/07/39/17/1066073917.db2.gz ORJGTEUNOODGEY-AWEZNQCLSA-N 0 0 477.476 4.926 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001441822417 1066074003 /nfs/dbraw/zinc/07/40/03/1066074003.db2.gz WUPSUHNHYQHULA-UHFFFAOYSA-N 0 0 453.583 4.772 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001441821313 1066074070 /nfs/dbraw/zinc/07/40/70/1066074070.db2.gz ZSRNXQUCYYGLJT-INIZCTEOSA-N 0 0 454.983 4.966 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360918180 1066073987 /nfs/dbraw/zinc/07/39/87/1066073987.db2.gz LORVXAUTAXQCTO-ROUUACIJSA-N 0 0 476.046 4.942 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001360918344 1066074177 /nfs/dbraw/zinc/07/41/77/1066074177.db2.gz PUPMKBSBUZZGET-KRWDZBQOSA-N 0 0 479.572 4.557 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F ZINC001360918396 1066074231 /nfs/dbraw/zinc/07/42/31/1066074231.db2.gz QYDMRIDERGYKHP-UHFFFAOYSA-N 0 0 462.339 4.657 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360919778 1066074974 /nfs/dbraw/zinc/07/49/74/1066074974.db2.gz AWMWNNXSEXTWNL-CQSZACIVSA-N 0 0 476.444 4.719 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360919832 1066075057 /nfs/dbraw/zinc/07/50/57/1066075057.db2.gz COTLOVHMWFYRIV-BETUJISGSA-N 0 0 496.862 4.982 20 0 JJADRN Cc1ccc(N2CCC(C(=O)NCc3cccc(NC(=O)Nc4cccc(C)c4)c3)CC2)nc1 ZINC001441863641 1066075345 /nfs/dbraw/zinc/07/53/45/1066075345.db2.gz FLDOATWLZXQFCZ-UHFFFAOYSA-N 0 0 457.578 4.875 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360920453 1066076670 /nfs/dbraw/zinc/07/66/70/1066076670.db2.gz XBGOMHBEOLVKOU-IBGZPJMESA-N 0 0 469.630 4.685 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360920573 1066076735 /nfs/dbraw/zinc/07/67/35/1066076735.db2.gz XUQZAPNZZICTKP-KRWDZBQOSA-N 0 0 456.921 4.979 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1cccc(NC(=O)C3CCCC3)c1)O2 ZINC001441879942 1066076897 /nfs/dbraw/zinc/07/68/97/1066076897.db2.gz BKSQEYNRINECMN-MHZLTWQESA-N 0 0 450.579 4.846 20 0 JJADRN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)c(Cl)c4)cc3)cc2n1 ZINC001441880592 1066076924 /nfs/dbraw/zinc/07/69/24/1066076924.db2.gz IHEOHYIQUPTXPQ-UHFFFAOYSA-N 0 0 459.886 4.982 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 ZINC001360920601 1066077235 /nfs/dbraw/zinc/07/72/35/1066077235.db2.gz YRGCPBCMYUEHPP-AWEZNQCLSA-N 0 0 452.411 4.732 20 0 JJADRN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001545944953 1066077172 /nfs/dbraw/zinc/07/71/72/1066077172.db2.gz AGMNCWWCEXZBHN-UHFFFAOYSA-N 0 0 450.520 4.610 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC001441883531 1066077304 /nfs/dbraw/zinc/07/73/04/1066077304.db2.gz LPSIEJMPMXXVOQ-UHFFFAOYSA-N 0 0 451.386 4.886 20 0 JJADRN Cc1ccsc1CCn1c(C2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001360921479 1066077671 /nfs/dbraw/zinc/07/76/71/1066077671.db2.gz KLBVKIYQPHXBEC-UHFFFAOYSA-N 0 0 458.653 4.588 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001441885808 1066077583 /nfs/dbraw/zinc/07/75/83/1066077583.db2.gz NSXPZPFWXHDNPR-CDNPAEQRSA-N 0 0 456.558 4.988 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001360922434 1066077929 /nfs/dbraw/zinc/07/79/29/1066077929.db2.gz SYZVPSXSEBHODY-SFHVURJKSA-N 0 0 450.320 4.881 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001360922855 1066078370 /nfs/dbraw/zinc/07/83/70/1066078370.db2.gz FENNYULQQZLDCM-IBGZPJMESA-N 0 0 468.671 4.530 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001360922794 1066078411 /nfs/dbraw/zinc/07/84/11/1066078411.db2.gz CMFKJGFHNPCYIN-NRFANRHFSA-N 0 0 453.656 4.917 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)cc1C ZINC001441889992 1066078565 /nfs/dbraw/zinc/07/85/65/1066078565.db2.gz VZYDGWNLEPPOPZ-UHFFFAOYSA-N 0 0 451.548 4.955 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360923368 1066078795 /nfs/dbraw/zinc/07/87/95/1066078795.db2.gz QOGLKNOHIDNHOK-FQEVSTJZSA-N 0 0 488.702 4.883 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001360923443 1066079234 /nfs/dbraw/zinc/07/92/34/1066079234.db2.gz TXLRIBMUPXXHAG-FQEVSTJZSA-N 0 0 465.667 4.969 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001360923451 1066079597 /nfs/dbraw/zinc/07/95/97/1066079597.db2.gz UAANYJCNZCYNPI-LJQANCHMSA-N 0 0 477.581 4.664 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 ZINC001360923646 1066079974 /nfs/dbraw/zinc/07/99/74/1066079974.db2.gz YXTWEDZVVNWINK-RBUKOAKNSA-N 0 0 491.727 4.947 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360924382 1066080309 /nfs/dbraw/zinc/08/03/09/1066080309.db2.gz NUPYUXHDYQLNHM-UHFFFAOYSA-N 0 0 473.668 4.600 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001441910955 1066080415 /nfs/dbraw/zinc/08/04/15/1066080415.db2.gz FXRCJUZLEQXRGC-LEWJYISDSA-N 0 0 454.935 4.562 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1cc(N3CCCC3=O)ccc1F)N2C(=O)OC(C)(C)C ZINC001441913923 1066080491 /nfs/dbraw/zinc/08/04/91/1066080491.db2.gz LWHPJNZOYIRCOW-OAQYLSRUSA-N 0 0 453.514 4.566 20 0 JJADRN Cc1c(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)nnn1-c1ccc(F)c(Cl)c1 ZINC001360924739 1066080790 /nfs/dbraw/zinc/08/07/90/1066080790.db2.gz MPTAOFGAKGCAMR-HXUWFJFHSA-N 0 0 456.949 4.541 20 0 JJADRN CC(C)(C)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 ZINC001441917054 1066080871 /nfs/dbraw/zinc/08/08/71/1066080871.db2.gz QZCNRPBMODFDOV-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360924853 1066081219 /nfs/dbraw/zinc/08/12/19/1066081219.db2.gz YPIWEXBCXQGDBL-HXUWFJFHSA-N 0 0 460.047 4.781 20 0 JJADRN Cc1cc(CN(C)C(=O)CCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1OCC(F)(F)F ZINC001441926827 1066081275 /nfs/dbraw/zinc/08/12/75/1066081275.db2.gz HWRWVCKCFAAGHK-UHFFFAOYSA-N 0 0 458.521 4.850 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(I)ccc2F)cc1 ZINC001360925535 1066081449 /nfs/dbraw/zinc/08/14/49/1066081449.db2.gz JBKJDSJVCQGQBH-DNVCBOLYSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc(F)c2I)cc1 ZINC001360925686 1066081627 /nfs/dbraw/zinc/08/16/27/1066081627.db2.gz NXIRZNSURIKMDW-HNAYVOBHSA-N 0 0 453.295 4.636 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441942672 1066081806 /nfs/dbraw/zinc/08/18/06/1066081806.db2.gz BEEYLJSCBBWFLX-GAJHUEQPSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3nc(C(F)(F)F)cs3)c12 ZINC001360925741 1066081916 /nfs/dbraw/zinc/08/19/16/1066081916.db2.gz PATBFZXTUWOABV-UHFFFAOYSA-N 0 0 451.518 4.820 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 ZINC001360925763 1066081962 /nfs/dbraw/zinc/08/19/62/1066081962.db2.gz AXTPZCHRGXKTJM-HKUYNNGSSA-N 0 0 474.675 4.984 20 0 JJADRN CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001441949680 1066082094 /nfs/dbraw/zinc/08/20/94/1066082094.db2.gz QUEUCBURDLGWKR-UHFFFAOYSA-N 0 0 457.423 4.982 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360925959 1066082298 /nfs/dbraw/zinc/08/22/98/1066082298.db2.gz DQMILXHJWQHESA-JFIYKMOQSA-N 0 0 453.603 4.686 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)CC3)c[nH]c21 ZINC001441956624 1066082484 /nfs/dbraw/zinc/08/24/84/1066082484.db2.gz LVRRNVNWVQPMSC-QFIPXVFZSA-N 0 0 457.615 4.755 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCCOc2ccc3c(c2)CCC3)c2ccccc21 ZINC001441956356 1066082692 /nfs/dbraw/zinc/08/26/92/1066082692.db2.gz JTPLTYLBLHEGNL-NRFANRHFSA-N 0 0 450.579 4.989 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC001441982548 1066083989 /nfs/dbraw/zinc/08/39/89/1066083989.db2.gz DESSQJILWZYGPJ-HXOBKFHXSA-N 0 0 451.995 4.731 20 0 JJADRN CCN(CC(=O)NCCOc1ccccc1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441992532 1066084466 /nfs/dbraw/zinc/08/44/66/1066084466.db2.gz PEMQXBSUDUSXNT-UHFFFAOYSA-N 0 0 458.558 4.761 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1 ZINC001360929350 1066084975 /nfs/dbraw/zinc/08/49/75/1066084975.db2.gz CJSIFJSLZAHGEQ-QGZVFWFLSA-N 0 0 464.433 4.870 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 ZINC001360929575 1066085741 /nfs/dbraw/zinc/08/57/41/1066085741.db2.gz JQRPLEFQBTXMHQ-JKSUJKDBSA-N 0 0 479.672 4.807 20 0 JJADRN CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C)Oc1cccc(F)c1 ZINC001545945686 1066085907 /nfs/dbraw/zinc/08/59/07/1066085907.db2.gz BUGFMEMLKJZRGG-HXUWFJFHSA-N 0 0 469.561 4.519 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccs2)cnn1C ZINC001360929583 1066085840 /nfs/dbraw/zinc/08/58/40/1066085840.db2.gz JSMCOHGOJMELDX-KRWDZBQOSA-N 0 0 454.575 4.540 20 0 JJADRN CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C)Oc1cccc(F)c1 ZINC001545945685 1066085947 /nfs/dbraw/zinc/08/59/47/1066085947.db2.gz BUGFMEMLKJZRGG-FQEVSTJZSA-N 0 0 469.561 4.519 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C ZINC001360930303 1066086499 /nfs/dbraw/zinc/08/64/99/1066086499.db2.gz STCWPQHYMJEQPJ-HSZRJFAPSA-N 0 0 476.046 4.730 20 0 JJADRN O=C(CCNC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1 ZINC001442029139 1066086556 /nfs/dbraw/zinc/08/65/56/1066086556.db2.gz MWNMMUHSRLPOQQ-WJDWOHSUSA-N 0 0 459.237 4.923 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1ccnc1C ZINC001360930008 1066086686 /nfs/dbraw/zinc/08/66/86/1066086686.db2.gz PFERRLAEWXYROU-KRWDZBQOSA-N 0 0 469.590 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001442030887 1066086861 /nfs/dbraw/zinc/08/68/61/1066086861.db2.gz JJLJKFUBEGHGFP-MSEWRSJXSA-N 0 0 451.007 4.588 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360930333 1066087007 /nfs/dbraw/zinc/08/70/07/1066087007.db2.gz TVUUMXKNRTVNLF-OKZBNKHCSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)cnn1C ZINC001360930820 1066087315 /nfs/dbraw/zinc/08/73/15/1066087315.db2.gz OGSRUBOFKNEREW-LJQANCHMSA-N 0 0 477.588 4.608 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCC2(C)C)cnn1C ZINC001360930609 1066087407 /nfs/dbraw/zinc/08/74/07/1066087407.db2.gz VFYOVAWFQRPJGN-KRWDZBQOSA-N 0 0 474.451 4.551 20 0 JJADRN CC1CCN(C(=O)c2ccccc2NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001442038301 1066087399 /nfs/dbraw/zinc/08/73/99/1066087399.db2.gz ZMVCSAIXAVKRND-HFZDXXHNSA-N 0 0 455.599 4.677 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CC1 ZINC001360931007 1066087836 /nfs/dbraw/zinc/08/78/36/1066087836.db2.gz YGOCNKGJTARJHD-OYHNWAKOSA-N 0 0 462.019 4.634 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001442045996 1066087815 /nfs/dbraw/zinc/08/78/15/1066087815.db2.gz IPKDEYHUWRNHJM-VUCTXSBTSA-N 0 0 453.302 4.613 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2(C)C)cnn1C ZINC001360931046 1066088157 /nfs/dbraw/zinc/08/81/57/1066088157.db2.gz YYNDDCIMEYGEEK-IEBWSBKVSA-N 0 0 472.634 4.767 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)C1(CCOCc2ccccc2)CC1 ZINC001442050157 1066088232 /nfs/dbraw/zinc/08/82/32/1066088232.db2.gz NPPOIJSDAYJQBZ-HXUWFJFHSA-N 0 0 457.412 4.779 20 0 JJADRN CCCN(C(=O)CCc1nc(-c2ccoc2)no1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360931892 1066088454 /nfs/dbraw/zinc/08/84/54/1066088454.db2.gz XSMRNRJDSVMABM-HSZRJFAPSA-N 0 0 452.461 4.964 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360931972 1066088495 /nfs/dbraw/zinc/08/84/95/1066088495.db2.gz ANNZGWPIZLIYMD-OCCSQVGLSA-N 0 0 453.385 4.575 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccccc1CSc1nc[nH]n1 ZINC001442062057 1066088651 /nfs/dbraw/zinc/08/86/51/1066088651.db2.gz KIOXRPNKHWULKC-UHFFFAOYSA-N 0 0 457.397 4.711 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001442064751 1066088716 /nfs/dbraw/zinc/08/87/16/1066088716.db2.gz NQYIQYLDTHUSCP-RDTXWAMCSA-N 0 0 453.901 4.536 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCCS2)cnn1C ZINC001360932097 1066089251 /nfs/dbraw/zinc/08/92/51/1066089251.db2.gz FGOPSVOXZQPWTI-QGZVFWFLSA-N 0 0 493.450 4.811 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1coc(-c2ccccc2)n1 ZINC001442069307 1066089629 /nfs/dbraw/zinc/08/96/29/1066089629.db2.gz KIOZDGACELJLFP-UHFFFAOYSA-N 0 0 455.442 4.673 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)C(C)(C)C ZINC001360932412 1066090141 /nfs/dbraw/zinc/09/01/41/1066090141.db2.gz MQNPOJNFADJTDK-MRXNPFEDSA-N 0 0 490.695 4.883 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1nccs1 ZINC001360932733 1066090575 /nfs/dbraw/zinc/09/05/75/1066090575.db2.gz RFMHKPFQFBCYSJ-UHFFFAOYSA-N 0 0 462.551 4.647 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)c2ccccn2)cnn1C ZINC001360932865 1066090776 /nfs/dbraw/zinc/09/07/76/1066090776.db2.gz SFUFRBXXFZXWSD-UHFFFAOYSA-N 0 0 494.441 4.759 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1c[nH]c(=O)c(Br)c1 ZINC001442079555 1066090859 /nfs/dbraw/zinc/09/08/59/1066090859.db2.gz KPRKXQTWVOXHPY-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCO1 ZINC001360933203 1066091197 /nfs/dbraw/zinc/09/11/97/1066091197.db2.gz YMNNOGIQADRTLO-FQEVSTJZSA-N 0 0 480.407 4.817 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC001442081324 1066091279 /nfs/dbraw/zinc/09/12/79/1066091279.db2.gz XONIOJSFLPJLEK-OAQYLSRUSA-N 0 0 451.405 4.777 20 0 JJADRN COc1cc(COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1C ZINC001360933319 1066091464 /nfs/dbraw/zinc/09/14/64/1066091464.db2.gz FTPYAXUXFQMZIZ-GOSISDBHSA-N 0 0 451.544 4.501 20 0 JJADRN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545946004 1066091972 /nfs/dbraw/zinc/09/19/72/1066091972.db2.gz IKQANTCLKHEDGK-AZUAARDMSA-N 0 0 459.610 4.818 20 0 JJADRN Cc1ccn2cc(CNC(=O)c3cccc(OCc4ccccc4Br)c3)nc2c1 ZINC001442094624 1066092586 /nfs/dbraw/zinc/09/25/86/1066092586.db2.gz NGWSSVZDOJJEOE-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN CC1CCN(C(=O)c2ccc(NC(=O)/C=C\[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001442095971 1066092612 /nfs/dbraw/zinc/09/26/12/1066092612.db2.gz TWUQFJMRXKKOCJ-HXKWKUIBSA-N 0 0 455.599 4.701 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(COC(C)(C)C)on2)cnn1C ZINC001360934732 1066093171 /nfs/dbraw/zinc/09/31/71/1066093171.db2.gz JZGCOXVJMSRIQR-UHFFFAOYSA-N 0 0 484.004 4.628 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)C)nc1 ZINC001360934758 1066093253 /nfs/dbraw/zinc/09/32/53/1066093253.db2.gz KSHCSABEUYXGAC-UHFFFAOYSA-N 0 0 452.946 4.762 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@H](C)C2)cnn1C ZINC001360934698 1066093279 /nfs/dbraw/zinc/09/32/79/1066093279.db2.gz INGNKBZSPMDOAK-GDBMZVCRSA-N 0 0 493.475 4.653 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCc2ccccc2N2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001442102959 1066093339 /nfs/dbraw/zinc/09/33/39/1066093339.db2.gz WJUNRVGDCPQHKT-NFBKMPQASA-N 0 0 459.512 4.532 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(F)c(Br)cc3N)cc2s1 ZINC001442103968 1066093392 /nfs/dbraw/zinc/09/33/92/1066093392.db2.gz KAWJNTBYPXMRCT-UHFFFAOYSA-N 0 0 451.321 4.771 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@](C)(O)c1ccccc1 ZINC001360934789 1066093589 /nfs/dbraw/zinc/09/35/89/1066093589.db2.gz LTXWSIZKINPJMV-DEOSSOPVSA-N 0 0 451.958 4.829 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001360934839 1066093600 /nfs/dbraw/zinc/09/36/00/1066093600.db2.gz NVXHBWCTBMWKJA-FXAWDEMLSA-N 0 0 461.035 4.846 20 0 JJADRN Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC001442104172 1066093828 /nfs/dbraw/zinc/09/38/28/1066093828.db2.gz LGJGKUGMLGMPOZ-UHFFFAOYSA-N 0 0 454.617 4.734 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442110817 1066095109 /nfs/dbraw/zinc/09/51/09/1066095109.db2.gz XUGLPOSDTSMXOV-NRFANRHFSA-N 0 0 454.368 4.972 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001442112637 1066095474 /nfs/dbraw/zinc/09/54/74/1066095474.db2.gz OHWNLQGSVVLCMJ-JOCHJYFZSA-N 0 0 452.639 4.989 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001442112641 1066095563 /nfs/dbraw/zinc/09/55/63/1066095563.db2.gz OHWNLQGSVVLCMJ-QFIPXVFZSA-N 0 0 452.639 4.989 20 0 JJADRN CCCCC1CCC(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001442112120 1066095783 /nfs/dbraw/zinc/09/57/83/1066095783.db2.gz AMEOPOFAKUFFQY-INXVGGANSA-N 0 0 457.615 4.943 20 0 JJADRN C[C@@]1(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)CCc2ccccc21 ZINC001360936001 1066095856 /nfs/dbraw/zinc/09/58/56/1066095856.db2.gz FLALSNHREYKCJV-HSZRJFAPSA-N 0 0 450.336 4.939 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)C1)C(=O)OC(C)(C)C ZINC001442114693 1066096056 /nfs/dbraw/zinc/09/60/56/1066096056.db2.gz DJZLKAKWLIEPIP-AWEZNQCLSA-N 0 0 459.812 4.751 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC001442116263 1066096132 /nfs/dbraw/zinc/09/61/32/1066096132.db2.gz JAIVKPACKRTCJI-HNNXBMFYSA-N 0 0 459.812 4.751 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1OCC(F)(F)F ZINC001360937572 1066096712 /nfs/dbraw/zinc/09/67/12/1066096712.db2.gz UGMQRYNXEHBASE-UHFFFAOYSA-N 0 0 474.512 4.731 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360937652 1066096817 /nfs/dbraw/zinc/09/68/17/1066096817.db2.gz XEQROMMYMBIWOH-IBGZPJMESA-N 0 0 466.586 4.525 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)CC2 ZINC001442121858 1066096809 /nfs/dbraw/zinc/09/68/09/1066096809.db2.gz MMNNGUPTPZJSCF-XMMPIXPASA-N 0 0 456.995 4.683 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)C2(c3ccccc3Br)CC2)C1)C(=O)OC(C)(C)C ZINC001442124409 1066096889 /nfs/dbraw/zinc/09/68/89/1066096889.db2.gz VSMRYUINRIEEEP-INIZCTEOSA-N 0 0 451.405 4.586 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)s2)cc1 ZINC001360938665 1066097149 /nfs/dbraw/zinc/09/71/49/1066097149.db2.gz XRMTVQPBIRCGBB-UHFFFAOYSA-N 0 0 450.969 4.826 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cnc(Br)cn3)c2)cc1 ZINC001360939609 1066097487 /nfs/dbraw/zinc/09/74/87/1066097487.db2.gz WLAYRCWBHLVVGU-UHFFFAOYSA-N 0 0 454.324 4.592 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)Cc2ccc(OCC(C)C)cc2)CC1 ZINC001360939446 1066097548 /nfs/dbraw/zinc/09/75/48/1066097548.db2.gz QCTPEXOFBOGQRJ-UHFFFAOYSA-N 0 0 450.604 4.772 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c2ccc(F)cc2)cc1 ZINC001442141686 1066097713 /nfs/dbraw/zinc/09/77/13/1066097713.db2.gz AZSAVBPSQRIEEL-YPAWHYETSA-N 0 0 456.558 4.979 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC1(C)C ZINC001360941362 1066097842 /nfs/dbraw/zinc/09/78/42/1066097842.db2.gz OZRDDSRUBVDVMQ-GOSISDBHSA-N 0 0 474.675 4.840 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2=CCCCC2)cnn1C ZINC001360941061 1066097872 /nfs/dbraw/zinc/09/78/72/1066097872.db2.gz MGBQBSSTVCDJMC-JOCHJYFZSA-N 0 0 497.688 4.961 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1 ZINC001360940596 1066097924 /nfs/dbraw/zinc/09/79/24/1066097924.db2.gz HTRIWJQCZONADP-MSOLQXFVSA-N 0 0 492.715 4.547 20 0 JJADRN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1Oc1ccncc1 ZINC001442153274 1066097943 /nfs/dbraw/zinc/09/79/43/1066097943.db2.gz OWAUNTCMIYQMNL-KRWDZBQOSA-N 0 0 452.352 4.893 20 0 JJADRN CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)n1 ZINC001442154320 1066098025 /nfs/dbraw/zinc/09/80/25/1066098025.db2.gz FZYFYDBCYGVYEU-MRXNPFEDSA-N 0 0 450.926 4.581 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)o1 ZINC001360942438 1066098231 /nfs/dbraw/zinc/09/82/31/1066098231.db2.gz PVVKBWBFMKCAIE-UZLBHIALSA-N 0 0 450.576 4.625 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001360942456 1066098267 /nfs/dbraw/zinc/09/82/67/1066098267.db2.gz QPUWUJKSDATDHT-UHFFFAOYSA-N 0 0 451.223 4.730 20 0 JJADRN CCO[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001442163466 1066098835 /nfs/dbraw/zinc/09/88/35/1066098835.db2.gz QOJPXGPNQATBLJ-QHCPKHFHSA-N 0 0 458.624 4.671 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1Br ZINC001442162794 1066098855 /nfs/dbraw/zinc/09/88/55/1066098855.db2.gz WWFFNMQUSIZMHB-LBPRGKRZSA-N 0 0 456.153 4.607 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001442168504 1066098920 /nfs/dbraw/zinc/09/89/20/1066098920.db2.gz SFGOHKSHLIECHK-AJFLCOCNSA-N 0 0 452.595 4.812 20 0 JJADRN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC001442175897 1066099149 /nfs/dbraw/zinc/09/91/49/1066099149.db2.gz SWKOFMOPXYFKBT-JOCHJYFZSA-N 0 0 452.501 4.762 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccn2)n1Cc1sccc1Br ZINC001360944606 1066099263 /nfs/dbraw/zinc/09/92/63/1066099263.db2.gz CASZJJKFTCJIAC-UHFFFAOYSA-N 0 0 475.441 4.538 20 0 JJADRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(Br)c(Br)[nH]1 ZINC001442180007 1066099603 /nfs/dbraw/zinc/09/96/03/1066099603.db2.gz VWDOIXAOCFTMAU-NSHDSACASA-N 0 0 458.150 4.740 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(C(C)(C)C)s1 ZINC001360944768 1066099682 /nfs/dbraw/zinc/09/96/82/1066099682.db2.gz ITJCUDVPPHTVGS-UHFFFAOYSA-N 0 0 489.621 4.746 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1 ZINC001360945480 1066100047 /nfs/dbraw/zinc/10/00/47/1066100047.db2.gz LGFZHLJTSZLFSR-UHFFFAOYSA-N 0 0 453.485 4.855 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1OCC(F)(F)F ZINC001360945203 1066100253 /nfs/dbraw/zinc/10/02/53/1066100253.db2.gz YGQLZAOYXBPIOE-UHFFFAOYSA-N 0 0 471.483 4.791 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC001360946184 1066100683 /nfs/dbraw/zinc/10/06/83/1066100683.db2.gz MUHJNRLKRBPHPS-RTBURBONSA-N 0 0 450.004 4.542 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001442190140 1066101284 /nfs/dbraw/zinc/10/12/84/1066101284.db2.gz XHCMQTQBVAZMRF-TVNWYLLRSA-N 0 0 452.860 4.720 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC001442192664 1066101445 /nfs/dbraw/zinc/10/14/45/1066101445.db2.gz OPLSTNUMDFNGHG-QGZVFWFLSA-N 0 0 459.450 4.833 20 0 JJADRN Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cc(C=O)sc3Cl)cc2)cc1 ZINC001442206815 1066101976 /nfs/dbraw/zinc/10/19/76/1066101976.db2.gz ATOQJGKSUJHKGJ-UHFFFAOYSA-N 0 0 456.951 4.512 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccnc1)C(C)C ZINC001360947151 1066102001 /nfs/dbraw/zinc/10/20/01/1066102001.db2.gz AFSARSZDFQTQJW-LJQANCHMSA-N 0 0 495.678 4.506 20 0 JJADRN Cc1occc1CN(C)c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360947415 1066102315 /nfs/dbraw/zinc/10/23/15/1066102315.db2.gz LFNDEIOUWUXGPT-IBGZPJMESA-N 0 0 467.614 4.857 20 0 JJADRN COc1ccccc1C1(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001442210168 1066102435 /nfs/dbraw/zinc/10/24/35/1066102435.db2.gz KPRRUBODAKWFLL-UHFFFAOYSA-N 0 0 454.998 4.925 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)c1ccsc1 ZINC001360947751 1066103067 /nfs/dbraw/zinc/10/30/67/1066103067.db2.gz YDXWYDFAUOTUCV-XMMPIXPASA-N 0 0 467.664 4.824 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001442218955 1066103072 /nfs/dbraw/zinc/10/30/72/1066103072.db2.gz XYIYBWWRBVXILF-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(F)(F)F)c1 ZINC001360947807 1066103080 /nfs/dbraw/zinc/10/30/80/1066103080.db2.gz ZTORUSKJQGABAQ-UHFFFAOYSA-N 0 0 489.523 4.875 20 0 JJADRN Cc1sc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)nc1-c1ccc(Cl)cc1 ZINC001442217323 1066103156 /nfs/dbraw/zinc/10/31/56/1066103156.db2.gz CHRMCRGFUPMVBK-AWEZNQCLSA-N 0 0 459.946 4.937 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360947614 1066103141 /nfs/dbraw/zinc/10/31/41/1066103141.db2.gz SAFKZHZLMQEMPU-GOSISDBHSA-N 0 0 478.597 4.732 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1I ZINC001360948954 1066103665 /nfs/dbraw/zinc/10/36/65/1066103665.db2.gz OHOLHDGPIRJBEA-UHFFFAOYSA-N 0 0 458.029 4.894 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cccc(F)c1Br ZINC001360948943 1066103745 /nfs/dbraw/zinc/10/37/45/1066103745.db2.gz NXYVYKIBNXKEJB-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc2c(ncnc2N(C)C)n1C ZINC001442225973 1066104277 /nfs/dbraw/zinc/10/42/77/1066104277.db2.gz QLWVGGQLXPKCDP-UHFFFAOYSA-N 0 0 451.571 4.953 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC001442229623 1066105141 /nfs/dbraw/zinc/10/51/41/1066105141.db2.gz CALXTJPIMCZUQC-FQEVSTJZSA-N 0 0 451.468 4.777 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)Br ZINC001360949612 1066105618 /nfs/dbraw/zinc/10/56/18/1066105618.db2.gz MMDKOTCOEIPONN-HUUCEWRRSA-N 0 0 461.351 4.722 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(F)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001360949738 1066106816 /nfs/dbraw/zinc/10/68/16/1066106816.db2.gz RHMAJGTXXOQCLP-HOTGVXAUSA-N 0 0 459.591 4.601 20 0 JJADRN C[C@](O)(C(=O)NCC1(c2ccc(F)cc2)CCCCC1)c1ccc(F)c(Br)c1 ZINC001442242662 1066107278 /nfs/dbraw/zinc/10/72/78/1066107278.db2.gz BPBVMBAYFLRYFU-OAQYLSRUSA-N 0 0 452.339 4.953 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC001442247489 1066107791 /nfs/dbraw/zinc/10/77/91/1066107791.db2.gz PEAUWCPKIHMOEV-FCHUYYIVSA-N 0 0 450.922 4.547 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001442247502 1066107853 /nfs/dbraw/zinc/10/78/53/1066107853.db2.gz PEAUWCPKIHMOEV-YADHBBJMSA-N 0 0 450.922 4.547 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1C(=O)OC ZINC001360950667 1066108071 /nfs/dbraw/zinc/10/80/71/1066108071.db2.gz JTBSRUMBJXQXMY-IRXDYDNUSA-N 0 0 456.505 4.576 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC001442253442 1066108370 /nfs/dbraw/zinc/10/83/70/1066108370.db2.gz WVJUNYHZOVMSTP-BPQIPLTHSA-N 0 0 452.979 4.920 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001442251662 1066108407 /nfs/dbraw/zinc/10/84/07/1066108407.db2.gz AAKFXNRPFNAOJR-QHCPKHFHSA-N 0 0 454.615 4.936 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001360951231 1066108644 /nfs/dbraw/zinc/10/86/44/1066108644.db2.gz RHZOWSKUKAWVST-SFHVURJKSA-N 0 0 452.860 4.927 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC001442253984 1066108949 /nfs/dbraw/zinc/10/89/49/1066108949.db2.gz SVRUUEXONGJYFC-UHFFFAOYSA-N 0 0 453.542 4.574 20 0 JJADRN Cc1csc(COC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC001360952045 1066109253 /nfs/dbraw/zinc/10/92/53/1066109253.db2.gz SKNBUXLEUNENPU-UHFFFAOYSA-N 0 0 450.438 4.845 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cccs1)OC ZINC001545947570 1066109496 /nfs/dbraw/zinc/10/94/96/1066109496.db2.gz ABNYQZMYPKAOSP-PMACEKPBSA-N 0 0 453.612 4.975 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953208 1066109630 /nfs/dbraw/zinc/10/96/30/1066109630.db2.gz BNILTCFTDDJSJD-YHVDPYDOSA-N 0 0 451.972 4.593 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953978 1066110394 /nfs/dbraw/zinc/11/03/94/1066110394.db2.gz MJBKVWJKILPKGS-MRXNPFEDSA-N 0 0 453.988 4.601 20 0 JJADRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(Cl)cc(Br)c1N ZINC001442266484 1066110709 /nfs/dbraw/zinc/11/07/09/1066110709.db2.gz OGZYPRBEPBYNLO-VIFPVBQESA-N 0 0 451.670 4.901 20 0 JJADRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(Cl)cc(Br)c1N ZINC001442266482 1066110748 /nfs/dbraw/zinc/11/07/48/1066110748.db2.gz OGZYPRBEPBYNLO-SECBINFHSA-N 0 0 451.670 4.901 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360954069 1066110936 /nfs/dbraw/zinc/11/09/36/1066110936.db2.gz PDDLMJGYODDLPP-UHFFFAOYSA-N 0 0 464.517 4.512 20 0 JJADRN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2C1 ZINC001442290856 1066111879 /nfs/dbraw/zinc/11/18/79/1066111879.db2.gz DVZYYNANPKPIDQ-GOSISDBHSA-N 0 0 450.604 4.719 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCCNC(=O)c1ccccc1)CCO2 ZINC001360955597 1066111892 /nfs/dbraw/zinc/11/18/92/1066111892.db2.gz URVXEVBZXILYBG-VWLOTQADSA-N 0 0 458.558 4.758 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001442291743 1066111921 /nfs/dbraw/zinc/11/19/21/1066111921.db2.gz DRPBBKMFVNPNRC-CLJLJLNGSA-N 0 0 459.565 4.968 20 0 JJADRN CC(C)c1cc(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc2n1 ZINC001442292410 1066112473 /nfs/dbraw/zinc/11/24/73/1066112473.db2.gz AIQIGKZLVQLSCK-UHFFFAOYSA-N 0 0 451.014 4.954 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C)C2)cnn1CC(C)C ZINC001360957163 1066113517 /nfs/dbraw/zinc/11/35/17/1066113517.db2.gz VJCPDINCTISDMR-HKUYNNGSSA-N 0 0 473.021 4.506 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001442300684 1066114047 /nfs/dbraw/zinc/11/40/47/1066114047.db2.gz UXOJXWWCMPVNGV-UIOOFZCWSA-N 0 0 459.565 4.824 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(Br)c2)nnc1N(CCCCO)C1CC1 ZINC001360957803 1066114488 /nfs/dbraw/zinc/11/44/88/1066114488.db2.gz BLMCOMOHYVSEHH-UHFFFAOYSA-N 0 0 461.429 4.867 20 0 JJADRN Cc1ccc(S[C@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc2)c(C)c1 ZINC001442306585 1066115256 /nfs/dbraw/zinc/11/52/56/1066115256.db2.gz NHZKVUJZBYQXKR-URXFXBBRSA-N 0 0 450.579 4.736 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001545948096 1066115263 /nfs/dbraw/zinc/11/52/63/1066115263.db2.gz JWSLUOGFVGIEJV-HRFSGMKKSA-N 0 0 476.625 4.761 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c2ccccc2)c(C)c1 ZINC001442306588 1066115360 /nfs/dbraw/zinc/11/53/60/1066115360.db2.gz NHZKVUJZBYQXKR-XUZZJYLKSA-N 0 0 450.579 4.736 20 0 JJADRN Cc1nnsc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1C(C)C ZINC001360958877 1066115612 /nfs/dbraw/zinc/11/56/12/1066115612.db2.gz VIUDEBSOVXGSIW-INIZCTEOSA-N 0 0 465.396 4.680 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001360959537 1066116824 /nfs/dbraw/zinc/11/68/24/1066116824.db2.gz GMUTVUKUCDHCTQ-SFHVURJKSA-N 0 0 458.653 4.639 20 0 JJADRN Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)cnn1CC(C)C ZINC001360959532 1066116849 /nfs/dbraw/zinc/11/68/49/1066116849.db2.gz GGLWRVVPOSKQGX-CVDCTZTESA-N 0 0 498.697 4.573 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)C1 ZINC001442331278 1066117023 /nfs/dbraw/zinc/11/70/23/1066117023.db2.gz HYCQDCSSNVJOFK-UHFFFAOYSA-N 0 0 452.530 4.877 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001360959713 1066117181 /nfs/dbraw/zinc/11/71/81/1066117181.db2.gz NHHLILSWIUWLJO-NSHDSACASA-N 0 0 467.462 4.850 20 0 JJADRN Nc1c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cnn1-c1ccccc1 ZINC001442336227 1066117510 /nfs/dbraw/zinc/11/75/10/1066117510.db2.gz IZCGBUAAJUTEME-UHFFFAOYSA-N 0 0 452.345 4.999 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC001442335504 1066117678 /nfs/dbraw/zinc/11/76/78/1066117678.db2.gz JMGKWLXLPRCNRV-FDDCHVKYSA-N 0 0 451.567 4.565 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001360960179 1066118550 /nfs/dbraw/zinc/11/85/50/1066118550.db2.gz DBMRERYDQFKGDS-INIZCTEOSA-N 0 0 483.034 4.559 20 0 JJADRN CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccsc1)OC ZINC001545948473 1066119129 /nfs/dbraw/zinc/11/91/29/1066119129.db2.gz RRGQUHMCKZOHMM-WOJBJXKFSA-N 0 0 474.030 4.690 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360960658 1066120124 /nfs/dbraw/zinc/12/01/24/1066120124.db2.gz UYVDTDBNFPASJG-HNNXBMFYSA-N 0 0 464.998 4.730 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360960618 1066120132 /nfs/dbraw/zinc/12/01/32/1066120132.db2.gz SVANZLPOFBUJPX-OKILXGFUSA-N 0 0 465.392 4.879 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001360960683 1066120176 /nfs/dbraw/zinc/12/01/76/1066120176.db2.gz VXASEYMRXCZFJK-UHFFFAOYSA-N 0 0 457.966 4.756 20 0 JJADRN COc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OCC(C)C)c1 ZINC001442363468 1066120207 /nfs/dbraw/zinc/12/02/07/1066120207.db2.gz GTZHJYNWAUXWRH-UHFFFAOYSA-N 0 0 459.974 4.763 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCC(F)(F)CC2)OC ZINC001545948550 1066120290 /nfs/dbraw/zinc/12/02/90/1066120290.db2.gz SUPGHUHILMURNI-FQEVSTJZSA-N 0 0 475.584 4.978 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1 ZINC001442364959 1066120330 /nfs/dbraw/zinc/12/03/30/1066120330.db2.gz KVUQMEBLRTVETR-MRXNPFEDSA-N 0 0 458.006 4.569 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC001442377453 1066121306 /nfs/dbraw/zinc/12/13/06/1066121306.db2.gz LUVUNHSHJQRFBR-VQTJNVASSA-N 0 0 463.912 4.811 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)[C@@H](F)C2)cnn1CC(C)C ZINC001360962378 1066121700 /nfs/dbraw/zinc/12/17/00/1066121700.db2.gz BSVZRBWWHFEJOZ-QRWLVFNGSA-N 0 0 475.410 4.711 20 0 JJADRN COc1cc(CN(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)ccc1SC ZINC001442385898 1066121958 /nfs/dbraw/zinc/12/19/58/1066121958.db2.gz DJSUXGXKGCASKV-FQEVSTJZSA-N 0 0 456.608 4.910 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)cnn1CC(C)C ZINC001360962782 1066122271 /nfs/dbraw/zinc/12/22/71/1066122271.db2.gz QXMCCHJWDLVOAM-DEOSSOPVSA-N 0 0 490.574 4.684 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H](OCC(C)C)C2)cnn1CC(C)C ZINC001360962645 1066122336 /nfs/dbraw/zinc/12/23/36/1066122336.db2.gz MVIFIIAKRHFKAF-OAQYLSRUSA-N 0 0 454.594 4.545 20 0 JJADRN C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360963236 1066122672 /nfs/dbraw/zinc/12/26/72/1066122672.db2.gz CIVBWFQPSMBPDN-VQIMIIECSA-N 0 0 457.546 4.767 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cnn1CC(C)C ZINC001360962972 1066122729 /nfs/dbraw/zinc/12/27/29/1066122729.db2.gz YMXOBGYIODPLEM-LJQANCHMSA-N 0 0 494.537 4.841 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cnn1CC(C)C ZINC001360962971 1066122732 /nfs/dbraw/zinc/12/27/32/1066122732.db2.gz YMXOBGYIODPLEM-IBGZPJMESA-N 0 0 494.537 4.841 20 0 JJADRN COc1ccc(N(CCC(=O)N(C(C)C)C2CCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001360963551 1066122854 /nfs/dbraw/zinc/12/28/54/1066122854.db2.gz HBPZPUMPRDAUON-UHFFFAOYSA-N 0 0 458.624 4.687 20 0 JJADRN COc1ccc(C)cc1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001442391632 1066122998 /nfs/dbraw/zinc/12/29/98/1066122998.db2.gz BXHUXOJVJQYJHJ-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2cn(CCc3ccccc3)nn2)c1C ZINC001360963885 1066123372 /nfs/dbraw/zinc/12/33/72/1066123372.db2.gz KORGAPVPQNXSJY-UHFFFAOYSA-N 0 0 455.349 4.882 20 0 JJADRN CCCN(C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H](C)c1ccccc1OC ZINC001442394244 1066123560 /nfs/dbraw/zinc/12/35/60/1066123560.db2.gz IHNUANPBDKFECJ-INIZCTEOSA-N 0 0 457.514 4.574 20 0 JJADRN CCCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H](C)c1ccccc1OC ZINC001442395758 1066123636 /nfs/dbraw/zinc/12/36/36/1066123636.db2.gz MQTYBAKXQORXPP-IXQXIYAPSA-N 0 0 457.615 4.522 20 0 JJADRN CCC[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001442397735 1066124121 /nfs/dbraw/zinc/12/41/21/1066124121.db2.gz RGIVYMNBNODYMG-LNLFQRSKSA-N 0 0 450.284 4.762 20 0 JJADRN CCC[C@@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC001442397267 1066124166 /nfs/dbraw/zinc/12/41/66/1066124166.db2.gz QSDUDEYQUMITEJ-MRXNPFEDSA-N 0 0 456.370 4.717 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360966969 1066124552 /nfs/dbraw/zinc/12/45/52/1066124552.db2.gz IMFWNZCCDZGGLG-MOPGFXCFSA-N 0 0 475.659 4.631 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc2ccccc2F)s1 ZINC001442403444 1066125193 /nfs/dbraw/zinc/12/51/93/1066125193.db2.gz QZMDNNFBIBWKIA-UHFFFAOYSA-N 0 0 454.571 4.823 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4ccc(C=O)s4)cc3)CC2)cs1 ZINC001442403247 1066125221 /nfs/dbraw/zinc/12/52/21/1066125221.db2.gz OYHVFRZTLLVXDF-UHFFFAOYSA-N 0 0 453.633 4.940 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(C)(C)c1ccccc1 ZINC001360968760 1066125637 /nfs/dbraw/zinc/12/56/37/1066125637.db2.gz YHAULNKDXMFSLL-REWPJTCUSA-N 0 0 453.652 4.811 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC001442407504 1066125783 /nfs/dbraw/zinc/12/57/83/1066125783.db2.gz CGQJULKVIMXAHC-LJQANCHMSA-N 0 0 454.567 4.745 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001360969382 1066125977 /nfs/dbraw/zinc/12/59/77/1066125977.db2.gz QGSRELMGSQJJEU-WOJBJXKFSA-N 0 0 457.412 4.899 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001360969380 1066126005 /nfs/dbraw/zinc/12/60/05/1066126005.db2.gz QGSRELMGSQJJEU-UXHICEINSA-N 0 0 457.412 4.899 20 0 JJADRN CO[C@@](C)(C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OC(C)(C)C ZINC001360969112 1066126009 /nfs/dbraw/zinc/12/60/09/1066126009.db2.gz KFHTVOMBRXUCKT-QFIPXVFZSA-N 0 0 453.457 4.861 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 ZINC001360969635 1066126471 /nfs/dbraw/zinc/12/64/71/1066126471.db2.gz XQWYDPUELPJKNL-OASJLCFRSA-N 0 0 452.595 4.591 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001442434940 1066126796 /nfs/dbraw/zinc/12/67/96/1066126796.db2.gz QFDNMRRMLSAILA-JOCHJYFZSA-N 0 0 450.579 4.769 20 0 JJADRN Cc1c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(CC(C)C)C2CCCC2)cnn1C ZINC001360969845 1066127016 /nfs/dbraw/zinc/12/70/16/1066127016.db2.gz BUYNVVTWKZVPNG-UHFFFAOYSA-N 0 0 499.704 4.888 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001442450293 1066127242 /nfs/dbraw/zinc/12/72/42/1066127242.db2.gz QEGXDNCZEMDWMK-AWEZNQCLSA-N 0 0 457.384 4.828 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)oc2ccccc12 ZINC001360971841 1066127394 /nfs/dbraw/zinc/12/73/94/1066127394.db2.gz IMQSUMJHRCDIMC-UHFFFAOYSA-N 0 0 466.630 4.600 20 0 JJADRN Cc1ccoc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001360971448 1066127472 /nfs/dbraw/zinc/12/74/72/1066127472.db2.gz SLDITMRIMPZLOB-ZWKOTPCHSA-N 0 0 475.659 4.673 20 0 JJADRN Cc1ccoc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360971444 1066127517 /nfs/dbraw/zinc/12/75/17/1066127517.db2.gz SLDITMRIMPZLOB-QZTJIDSGSA-N 0 0 475.659 4.673 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)cnn1CC(C)C ZINC001360971364 1066127525 /nfs/dbraw/zinc/12/75/25/1066127525.db2.gz AADYTTZPABTULV-UHFFFAOYSA-N 0 0 481.664 4.537 20 0 JJADRN Cc1c(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]c1C(F)(F)F ZINC001442464318 1066127996 /nfs/dbraw/zinc/12/79/96/1066127996.db2.gz KJMBEAUPNVAAAD-UHFFFAOYSA-N 0 0 459.494 4.560 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N(C)CCCc2cc(-c3ccccc3)no2)cnn1C ZINC001360972193 1066128484 /nfs/dbraw/zinc/12/84/84/1066128484.db2.gz QEDHNFDLMHKXOB-UHFFFAOYSA-N 0 0 461.614 4.681 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cnn1CC(C)C ZINC001360972617 1066128499 /nfs/dbraw/zinc/12/84/99/1066128499.db2.gz FQYBOGAIABIUFA-FQEVSTJZSA-N 0 0 492.594 4.743 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)cnn1CC(C)C ZINC001360972259 1066128574 /nfs/dbraw/zinc/12/85/74/1066128574.db2.gz SHLLKJPSVKCBFA-XMMPIXPASA-N 0 0 464.658 4.524 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCN4C(=O)OC(C)(C)C)CC3)no2)cc1 ZINC001442472601 1066129164 /nfs/dbraw/zinc/12/91/64/1066129164.db2.gz JJPFKNXTGKPMDZ-OAQYLSRUSA-N 0 0 455.555 4.602 20 0 JJADRN Cc1ccoc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360972645 1066129191 /nfs/dbraw/zinc/12/91/91/1066129191.db2.gz GJWUPFJIRSMHTJ-NRFANRHFSA-N 0 0 483.588 4.793 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cnn1CC(C)C ZINC001360972929 1066129645 /nfs/dbraw/zinc/12/96/45/1066129645.db2.gz QOKXGTWTOHHJMI-HSZRJFAPSA-N 0 0 472.584 4.542 20 0 JJADRN Cc1ccoc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360973112 1066129677 /nfs/dbraw/zinc/12/96/77/1066129677.db2.gz XQILFMZSOSKROG-UHFFFAOYSA-N 0 0 487.551 4.590 20 0 JJADRN Cc1ccoc1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360973281 1066130216 /nfs/dbraw/zinc/13/02/16/1066130216.db2.gz DROPESDBDGMSQH-OAQYLSRUSA-N 0 0 465.598 4.507 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442475965 1066130356 /nfs/dbraw/zinc/13/03/56/1066130356.db2.gz STVCLUULFDEDGL-AZUAARDMSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1ccoc1Cn1c(CC2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360974132 1066130676 /nfs/dbraw/zinc/13/06/76/1066130676.db2.gz XUTLNKHNLHZPSF-UHFFFAOYSA-N 0 0 457.619 4.654 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@H](C)COCC(F)(F)F ZINC001442493293 1066130728 /nfs/dbraw/zinc/13/07/28/1066130728.db2.gz RJLDBBDVKKBNTO-SNVBAGLBSA-N 0 0 451.308 4.887 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)Oc1cccc(F)c1 ZINC001360975094 1066131168 /nfs/dbraw/zinc/13/11/68/1066131168.db2.gz NCYMHOXPWNTHNN-HOCLYGCPSA-N 0 0 453.341 4.568 20 0 JJADRN Cc1nnsc1Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360974136 1066131181 /nfs/dbraw/zinc/13/11/81/1066131181.db2.gz YCKDTNRZRAAFMN-UHFFFAOYSA-N 0 0 489.468 4.580 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc1NC(=O)CN1CCCCC1 ZINC001442494407 1066131435 /nfs/dbraw/zinc/13/14/35/1066131435.db2.gz UZYDMQYHOBWEES-GOSISDBHSA-N 0 0 455.986 4.920 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC001360976169 1066131689 /nfs/dbraw/zinc/13/16/89/1066131689.db2.gz SIHZXEHJEBAMAG-UHFFFAOYSA-N 0 0 458.502 4.574 20 0 JJADRN CCc1cc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)on1 ZINC001360975729 1066131728 /nfs/dbraw/zinc/13/17/28/1066131728.db2.gz DIYIEZROBXDEDX-UHFFFAOYSA-N 0 0 453.955 4.547 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H](C)c2nccs2)cnn1C ZINC001360976675 1066132635 /nfs/dbraw/zinc/13/26/35/1066132635.db2.gz PKZUIIBLBOSYCW-GOSISDBHSA-N 0 0 493.681 4.941 20 0 JJADRN Cc1c(Cn2c(CCCc3ccccc3)nnc2N2CCSC(C)(C)C2)cnn1CC(C)C ZINC001360976921 1066133097 /nfs/dbraw/zinc/13/30/97/1066133097.db2.gz YRKAMAKAOPPMPV-UHFFFAOYSA-N 0 0 466.699 4.994 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)cnn1CC(C)C ZINC001360977226 1066134227 /nfs/dbraw/zinc/13/42/27/1066134227.db2.gz IWLLRFOVTRMJCT-PKOBYXMFSA-N 0 0 472.634 4.536 20 0 JJADRN Cc1c(Cn2c(COc3ccccc3F)nnc2N(C)[C@H](C)c2ccco2)cnn1CC(C)C ZINC001360977463 1066134651 /nfs/dbraw/zinc/13/46/51/1066134651.db2.gz QZCHNKXDPLISLO-LJQANCHMSA-N 0 0 466.561 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001442542160 1066134722 /nfs/dbraw/zinc/13/47/22/1066134722.db2.gz GSHOTSOFBCQJTA-NHCUHLMSSA-N 0 0 452.551 4.905 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(F)(F)CC2)cnn1C ZINC001360977233 1066134773 /nfs/dbraw/zinc/13/47/73/1066134773.db2.gz JAUPXNDUPBLBQF-UHFFFAOYSA-N 0 0 452.962 4.550 20 0 JJADRN Cc1ccsc1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360977658 1066135733 /nfs/dbraw/zinc/13/57/33/1066135733.db2.gz YAJWOMGCNBTVJF-NLFFAJNJSA-N 0 0 454.640 4.977 20 0 JJADRN CCc1noc2ncc(C(=O)N[C@H](c3ccccc3Cl)c3ccc(OC)cc3OC)cc12 ZINC001360977975 1066135789 /nfs/dbraw/zinc/13/57/89/1066135789.db2.gz IMJZGABPVHPZBO-JOCHJYFZSA-N 0 0 451.910 4.975 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(F)F)C2)cnn1C ZINC001360977631 1066135793 /nfs/dbraw/zinc/13/57/93/1066135793.db2.gz XLZCPJZWRJMDTR-OAHLLOKOSA-N 0 0 466.989 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001442547993 1066135844 /nfs/dbraw/zinc/13/58/44/1066135844.db2.gz PCFMHAKGIHYRKE-PKTZIBPZSA-N 0 0 458.599 4.639 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC001360978098 1066136018 /nfs/dbraw/zinc/13/60/18/1066136018.db2.gz LELMCYJHDKGBNT-RDPSFJRHSA-N 0 0 450.604 4.819 20 0 JJADRN COc1ccc(C(=O)C[C@H](C)C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001442551056 1066136295 /nfs/dbraw/zinc/13/62/95/1066136295.db2.gz UQISLXDEFFQIAI-NYVOZVTQSA-N 0 0 458.599 4.685 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)o1 ZINC001360978584 1066136824 /nfs/dbraw/zinc/13/68/24/1066136824.db2.gz XUYUTIRFIDOFMM-JGDYFIEFSA-N 0 0 455.894 4.656 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442551217 1066136911 /nfs/dbraw/zinc/13/69/11/1066136911.db2.gz UZLSJPCASHNIJW-UVUJQTEASA-N 0 0 458.599 4.588 20 0 JJADRN O=C(Nc1ccc(CC(F)(F)F)cc1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001360978791 1066137114 /nfs/dbraw/zinc/13/71/14/1066137114.db2.gz DIEXOOGMYNAIGO-UHFFFAOYSA-N 0 0 458.477 4.550 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CC1)NC(=O)OC(C)(C)C ZINC001545949854 1066137413 /nfs/dbraw/zinc/13/74/13/1066137413.db2.gz GLZATMVICBITOS-INIZCTEOSA-N 0 0 453.578 4.721 20 0 JJADRN O=C(NCc1cccc2cccnc21)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001442552387 1066137419 /nfs/dbraw/zinc/13/74/19/1066137419.db2.gz DSNIPODZPFCMCK-INIZCTEOSA-N 0 0 458.303 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC001442556981 1066137813 /nfs/dbraw/zinc/13/78/13/1066137813.db2.gz GTEMHXCBKLWWNN-OFVILXPXSA-N 0 0 458.986 4.502 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)CCc2cc(Br)c(Br)s2)C1(C)C ZINC001360979757 1066138028 /nfs/dbraw/zinc/13/80/28/1066138028.db2.gz MDIFNNGXQBDOAI-OLZOCXBDSA-N 0 0 453.240 4.868 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cc(Br)ccc3OC)n2)C1(C)C ZINC001360979727 1066138093 /nfs/dbraw/zinc/13/80/93/1066138093.db2.gz LXNKOVHJUXQEPY-IAGOWNOFSA-N 0 0 453.402 4.857 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N(C)C1CCC(NC(C)=O)CC1)Oc1cccc(F)c1 ZINC001545949968 1066138514 /nfs/dbraw/zinc/13/85/14/1066138514.db2.gz IOIDPSBQAYBCDS-SQIAZXFVSA-N 0 0 459.610 4.672 20 0 JJADRN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)C1 ZINC001442567715 1066139020 /nfs/dbraw/zinc/13/90/20/1066139020.db2.gz HZNSVDWVUFXAJR-JPYJTQIMSA-N 0 0 456.608 4.723 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360981033 1066139124 /nfs/dbraw/zinc/13/91/24/1066139124.db2.gz KGFUQXHEYIYWHA-BETUJISGSA-N 0 0 464.795 4.659 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981228 1066139554 /nfs/dbraw/zinc/13/95/54/1066139554.db2.gz KKNHJGMLJWIZIM-QSEAXJEQSA-N 0 0 463.599 4.573 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)N1Cc2ccccc2C1=O ZINC001360981174 1066139601 /nfs/dbraw/zinc/13/96/01/1066139601.db2.gz JHLMLPFPVJPCDE-VGOFRKELSA-N 0 0 451.567 4.891 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C(C)C)cc1 ZINC001360981567 1066140018 /nfs/dbraw/zinc/14/00/18/1066140018.db2.gz QIFWKEQTFDIJEH-GCJKJVERSA-N 0 0 453.583 4.974 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001360981402 1066140126 /nfs/dbraw/zinc/14/01/26/1066140126.db2.gz NJNZDBFONUAOQI-NSHDSACASA-N 0 0 453.358 4.918 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1nc2ccccc2n1-c1ccccc1F ZINC001360981800 1066140600 /nfs/dbraw/zinc/14/06/00/1066140600.db2.gz VMQNWYMJGOQDET-UHFFFAOYSA-N 0 0 452.436 4.592 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001360981712 1066140715 /nfs/dbraw/zinc/14/07/15/1066140715.db2.gz UKWCRRRDBZHCBQ-IBGZPJMESA-N 0 0 471.030 4.513 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)C1 ZINC001442583748 1066140712 /nfs/dbraw/zinc/14/07/12/1066140712.db2.gz AVBIDQDGVXTZDZ-NRFANRHFSA-N 0 0 454.615 4.874 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c1I ZINC001442576752 1066140737 /nfs/dbraw/zinc/14/07/37/1066140737.db2.gz YULAYTUNFLOBKN-LRDDRELGSA-N 0 0 453.324 4.670 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC001442585619 1066140780 /nfs/dbraw/zinc/14/07/80/1066140780.db2.gz FUUWPTAONSREKH-SFHVURJKSA-N 0 0 451.449 4.970 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360982099 1066141284 /nfs/dbraw/zinc/14/12/84/1066141284.db2.gz AKVPYQPPCISFEQ-BSIFCXSSSA-N 0 0 490.048 4.532 20 0 JJADRN CC[C@H](C)Sc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC001442586746 1066141374 /nfs/dbraw/zinc/14/13/74/1066141374.db2.gz QEZZFWJDDHFTDE-INIZCTEOSA-N 0 0 452.555 4.997 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 ZINC001360982530 1066142224 /nfs/dbraw/zinc/14/22/24/1066142224.db2.gz OAWNZELDFPZDED-NQIIRXRSSA-N 0 0 490.048 4.833 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360982592 1066142785 /nfs/dbraw/zinc/14/27/85/1066142785.db2.gz PIUIABKIADEHCK-UHFFFAOYSA-N 0 0 473.946 4.968 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C ZINC001360982644 1066142806 /nfs/dbraw/zinc/14/28/06/1066142806.db2.gz QMEIWWAFKXXRJP-SFHVURJKSA-N 0 0 458.994 4.670 20 0 JJADRN CCCc1c(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)nnn1-c1cccc(C(C)C)c1 ZINC001360983250 1066143101 /nfs/dbraw/zinc/14/31/01/1066143101.db2.gz JQSAUJYOYLECFL-SFHVURJKSA-N 0 0 450.583 4.721 20 0 JJADRN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC001442600904 1066143243 /nfs/dbraw/zinc/14/32/43/1066143243.db2.gz ZZTYGIGKTDVBDM-UHFFFAOYSA-N 0 0 458.961 4.625 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC001442605788 1066143982 /nfs/dbraw/zinc/14/39/82/1066143982.db2.gz CGOHJSHCQHTGJS-MRXNPFEDSA-N 0 0 455.484 4.728 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001442605403 1066144001 /nfs/dbraw/zinc/14/40/01/1066144001.db2.gz CKSFFDIQYIQRQN-CRAIPNDOSA-N 0 0 451.405 4.676 20 0 JJADRN CCOC(=O)[C@H](CC(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(C)c1)C(C)=O ZINC001442606059 1066144023 /nfs/dbraw/zinc/14/40/23/1066144023.db2.gz GGHMUNYTLVJMTP-QGZVFWFLSA-N 0 0 452.334 4.869 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)c3cccn3[C@H](C)Cc3ccccc3)CC2)cc1 ZINC001442604852 1066144037 /nfs/dbraw/zinc/14/40/37/1066144037.db2.gz AQQSIVVKFXICRU-OAQYLSRUSA-N 0 0 459.590 4.725 20 0 JJADRN COc1ccccc1C(C)(C)CNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001442609697 1066144230 /nfs/dbraw/zinc/14/42/30/1066144230.db2.gz NMMKJASYGNQGPE-UHFFFAOYSA-N 0 0 452.595 4.739 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360983731 1066144243 /nfs/dbraw/zinc/14/42/43/1066144243.db2.gz HICVCSJVSZPUFJ-FQEVSTJZSA-N 0 0 471.005 4.515 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360983803 1066144278 /nfs/dbraw/zinc/14/42/78/1066144278.db2.gz IVAGLCOZTNCCQV-INIZCTEOSA-N 0 0 485.938 4.694 20 0 JJADRN Cc1c([C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)cnn1-c1ccc(F)cc1 ZINC001442609369 1066144334 /nfs/dbraw/zinc/14/43/34/1066144334.db2.gz IDGDSWSVCXOZRX-AWEZNQCLSA-N 0 0 454.502 4.863 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CCOCC3(CCC3)C2)nnc1C(C)(C)C ZINC001360984126 1066144843 /nfs/dbraw/zinc/14/48/43/1066144843.db2.gz NNMZZFPHHRPIHE-UHFFFAOYSA-N 0 0 460.022 4.573 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cs1 ZINC001442616879 1066145290 /nfs/dbraw/zinc/14/52/90/1066145290.db2.gz NNFRQFGOKZICMO-HNNXBMFYSA-N 0 0 454.017 4.717 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001360984350 1066145692 /nfs/dbraw/zinc/14/56/92/1066145692.db2.gz TZEXIFUQJMKMRI-IRXDYDNUSA-N 0 0 455.006 4.757 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360984249 1066145860 /nfs/dbraw/zinc/14/58/60/1066145860.db2.gz QDTBEAKOFMWIFF-QGZVFWFLSA-N 0 0 499.965 4.941 20 0 JJADRN CSCC[C@@H](CC(=O)N[C@H](C)Cc1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001442617020 1066145901 /nfs/dbraw/zinc/14/59/01/1066145901.db2.gz RUAFNUKVLWXVBN-PBHICJAKSA-N 0 0 459.450 4.533 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360984368 1066146238 /nfs/dbraw/zinc/14/62/38/1066146238.db2.gz ULLPVGVFXDBKTN-WIYYLYMNSA-N 0 0 455.647 4.863 20 0 JJADRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 ZINC001442621374 1066146280 /nfs/dbraw/zinc/14/62/80/1066146280.db2.gz DFYHURLOQXYQFC-UHFFFAOYSA-N 0 0 456.390 4.823 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001442628816 1066146325 /nfs/dbraw/zinc/14/63/25/1066146325.db2.gz YMTUMNHURPMJJV-UHFFFAOYSA-N 0 0 458.986 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)[nH]n2)C1 ZINC001442625532 1066146383 /nfs/dbraw/zinc/14/63/83/1066146383.db2.gz RXGVZHLMHSZFHL-GCJKJVERSA-N 0 0 456.562 4.935 20 0 JJADRN CCSCc1cccc(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC001360984855 1066146666 /nfs/dbraw/zinc/14/66/66/1066146666.db2.gz JVKXUUVXWYMBNX-UHFFFAOYSA-N 0 0 456.427 4.895 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001360984522 1066146678 /nfs/dbraw/zinc/14/66/78/1066146678.db2.gz ZRTZRCXCXAGRKI-NHCUHLMSSA-N 0 0 460.022 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)OCc2ccc(Br)cc2Cl)C1 ZINC001360984916 1066146692 /nfs/dbraw/zinc/14/66/92/1066146692.db2.gz LBDIQEJMIJGZFA-NHYWBVRUSA-N 0 0 450.732 4.741 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)Nc3cccc(OCC(F)(F)F)c3)cc2)nc1C(F)(F)F ZINC001442651483 1066146845 /nfs/dbraw/zinc/14/68/45/1066146845.db2.gz DCORZUSGDLHHJC-UHFFFAOYSA-N 0 0 458.362 4.726 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360985293 1066147176 /nfs/dbraw/zinc/14/71/76/1066147176.db2.gz XBKZVDFNXIIEQU-QFIPXVFZSA-N 0 0 452.913 4.936 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccccc1N1CCOCC1 ZINC001442657508 1066147600 /nfs/dbraw/zinc/14/76/00/1066147600.db2.gz PPXCFISHLNQGHG-OAQYLSRUSA-N 0 0 459.428 4.807 20 0 JJADRN C[C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001442665242 1066148804 /nfs/dbraw/zinc/14/88/04/1066148804.db2.gz HZJCPOUWLZXQSD-ACJLOTCBSA-N 0 0 453.174 4.915 20 0 JJADRN COc1c(C)cnc(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)c1C ZINC001442663165 1066148878 /nfs/dbraw/zinc/14/88/78/1066148878.db2.gz UQSOUZQAESQETE-UHFFFAOYSA-N 0 0 458.381 4.946 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC1CC1 ZINC001360985841 1066149019 /nfs/dbraw/zinc/14/90/19/1066149019.db2.gz MXNRJSZDNHJPQM-UHFFFAOYSA-N 0 0 485.430 4.538 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545950732 1066149366 /nfs/dbraw/zinc/14/93/66/1066149366.db2.gz VQBDXVGQKZPXAP-RBUKOAKNSA-N 0 0 457.619 4.707 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545950730 1066149381 /nfs/dbraw/zinc/14/93/81/1066149381.db2.gz VQBDXVGQKZPXAP-MOPGFXCFSA-N 0 0 457.619 4.707 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)s1 ZINC001442667401 1066149388 /nfs/dbraw/zinc/14/93/88/1066149388.db2.gz SHZXIODPESRTPQ-INIZCTEOSA-N 0 0 451.683 4.848 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)cc1 ZINC001442670558 1066150662 /nfs/dbraw/zinc/15/06/62/1066150662.db2.gz CFKHUCGLXGZIGA-FQEVSTJZSA-N 0 0 453.951 4.990 20 0 JJADRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC001442672554 1066150682 /nfs/dbraw/zinc/15/06/82/1066150682.db2.gz WGGLKZRTPYMVIY-UHFFFAOYSA-N 0 0 458.484 4.866 20 0 JJADRN Cc1ccc(OCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC001442678350 1066151246 /nfs/dbraw/zinc/15/12/46/1066151246.db2.gz HQLRHLNLSMUFNZ-UHFFFAOYSA-N 0 0 452.576 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC001442682201 1066151355 /nfs/dbraw/zinc/15/13/55/1066151355.db2.gz SSEQBXGLZCPBOM-IBGZPJMESA-N 0 0 456.514 4.563 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545950808 1066151361 /nfs/dbraw/zinc/15/13/61/1066151361.db2.gz WNBBCWORTRPSKT-LEWJYISDSA-N 0 0 459.635 4.573 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc(Br)c1O ZINC001442690919 1066151999 /nfs/dbraw/zinc/15/19/99/1066151999.db2.gz FUAZPNULBAZNQW-NYGHPLDOSA-N 0 0 456.258 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001442700381 1066152507 /nfs/dbraw/zinc/15/25/07/1066152507.db2.gz YPMGMFBVVYLGIG-JRBPQWBISA-N 0 0 452.517 4.961 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H]1CC[C@@H](C)C1 ZINC001360986614 1066153309 /nfs/dbraw/zinc/15/33/09/1066153309.db2.gz IMHHXTZVOQUSGN-XLNTUCKNSA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H]1OCCC1(C)C ZINC001360986648 1066153659 /nfs/dbraw/zinc/15/36/59/1066153659.db2.gz JDZKHTOCQQFRQJ-MISYRCLQSA-N 0 0 463.022 4.729 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1C[C@@H](C)Cc1cccs1 ZINC001360986717 1066154172 /nfs/dbraw/zinc/15/41/72/1066154172.db2.gz KHVOTYNWPAODSN-KRWDZBQOSA-N 0 0 451.640 4.863 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360986691 1066154238 /nfs/dbraw/zinc/15/42/38/1066154238.db2.gz JVUWUOMDOOWURM-NEWSRXKRSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CCC[C@H]1C ZINC001360986821 1066155298 /nfs/dbraw/zinc/15/52/98/1066155298.db2.gz MXHJXOCYERZOOZ-MPCDZSKCSA-N 0 0 487.048 4.609 20 0 JJADRN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001442719802 1066155336 /nfs/dbraw/zinc/15/53/36/1066155336.db2.gz HBOSQDWXIXNJHY-FQEVSTJZSA-N 0 0 454.368 4.516 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCCO2)n1CC1([S@@](C)=O)CC1 ZINC001360986910 1066155577 /nfs/dbraw/zinc/15/55/77/1066155577.db2.gz OQPTYKXAGMQJGQ-MTIGVIBOSA-N 0 0 495.089 4.605 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC1=CCCOC1 ZINC001360986895 1066155597 /nfs/dbraw/zinc/15/55/97/1066155597.db2.gz OMTGGHHAAMDWIC-FXAWDEMLSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccnc1)C(C)C ZINC001360986984 1066156039 /nfs/dbraw/zinc/15/60/39/1066156039.db2.gz QHPAUDFEMHEKKG-DHIUTWEWSA-N 0 0 476.625 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC001442727691 1066156101 /nfs/dbraw/zinc/15/61/01/1066156101.db2.gz XWSILWTWOUCDAK-AVRWGWEMSA-N 0 0 453.587 4.745 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1Cc1nc(C(C)C)cs1 ZINC001360987038 1066156291 /nfs/dbraw/zinc/15/62/91/1066156291.db2.gz RBYDAVFUEFYJEJ-UHFFFAOYSA-N 0 0 489.649 4.584 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001360987020 1066156301 /nfs/dbraw/zinc/15/63/01/1066156301.db2.gz QXFZBRVTHHTZKP-SQJMNOBHSA-N 0 0 481.666 4.683 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1Cc1cccnc1OC1CCCC1 ZINC001360987037 1066156323 /nfs/dbraw/zinc/15/63/23/1066156323.db2.gz RBFMORPZSFDMAO-UHFFFAOYSA-N 0 0 490.652 4.933 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442733168 1066156446 /nfs/dbraw/zinc/15/64/46/1066156446.db2.gz VTKFQGABANZWPW-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCCCC[C@H]1c1ccccc1 ZINC001442748496 1066156862 /nfs/dbraw/zinc/15/68/62/1066156862.db2.gz WOQKNFMPGHQZCG-QHCPKHFHSA-N 0 0 454.617 4.984 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1cnnn1C ZINC001360987092 1066156966 /nfs/dbraw/zinc/15/69/66/1066156966.db2.gz RZXJLYNKDMCFMR-IRXDYDNUSA-N 0 0 469.977 4.656 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CC1(O)CCC1 ZINC001360987181 1066157339 /nfs/dbraw/zinc/15/73/39/1066157339.db2.gz UMLBEAOTYVYWSZ-AEFFLSMTSA-N 0 0 451.036 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1=CCCCC1 ZINC001360987172 1066157355 /nfs/dbraw/zinc/15/73/55/1066157355.db2.gz UIUMVSRFNMJQRS-RXVVDRJESA-N 0 0 493.073 4.812 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)c1ccccn1 ZINC001360987154 1066157365 /nfs/dbraw/zinc/15/73/65/1066157365.db2.gz UAGUYGFSIQAAJA-MOPGFXCFSA-N 0 0 499.059 4.761 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccccn2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360987149 1066157371 /nfs/dbraw/zinc/15/73/71/1066157371.db2.gz TWQBHYYGGMRMIF-YKSBVNFPSA-N 0 0 490.652 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC001442759736 1066157539 /nfs/dbraw/zinc/15/75/39/1066157539.db2.gz MECJZPIHENYGFB-WOJBJXKFSA-N 0 0 454.571 4.827 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@@H]1CCC[C@H]1C ZINC001360987185 1066157595 /nfs/dbraw/zinc/15/75/95/1066157595.db2.gz UMZTZPXBXVLYLC-AXUOBQJMSA-N 0 0 462.038 4.825 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)C)n1CCC1(O)CCOCC1 ZINC001360987221 1066157605 /nfs/dbraw/zinc/15/76/05/1066157605.db2.gz VCJXYDXZMWEHBQ-IBGZPJMESA-N 0 0 465.038 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1CC1(O)CCCCCC1 ZINC001360987229 1066157993 /nfs/dbraw/zinc/15/79/93/1066157993.db2.gz VGCFVPCBTGVNCT-PZJWPPBQSA-N 0 0 477.049 4.999 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC1(C)C ZINC001360987272 1066158003 /nfs/dbraw/zinc/15/80/03/1066158003.db2.gz WRHVHKGFZOCISU-TXTKFYIRSA-N 0 0 467.658 4.935 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCOC2)n1CC1(O)CCCCCC1 ZINC001360987228 1066158014 /nfs/dbraw/zinc/15/80/14/1066158014.db2.gz VGCFVPCBTGVNCT-FPOVZHCZSA-N 0 0 477.049 4.999 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H]1CCOC1 ZINC001360987266 1066158081 /nfs/dbraw/zinc/15/80/81/1066158081.db2.gz WLWCXAQPPOOFQW-AQNXPRMDSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cnc4c(c3)c(C(F)(F)F)nn4C)cc2)cc1 ZINC001442762369 1066158271 /nfs/dbraw/zinc/15/82/71/1066158271.db2.gz LMBSLRWOKPBJQT-UHFFFAOYSA-N 0 0 454.408 4.767 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@@](C)(O)C(C)C ZINC001360987503 1066158329 /nfs/dbraw/zinc/15/83/29/1066158329.db2.gz ZJSJZOMPPKLCCJ-GAJHUEQPSA-N 0 0 461.994 4.720 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442771132 1066159020 /nfs/dbraw/zinc/15/90/20/1066159020.db2.gz CBEQLFNQPBIDFE-ROUUACIJSA-N 0 0 455.640 4.516 20 0 JJADRN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC001442769629 1066159048 /nfs/dbraw/zinc/15/90/48/1066159048.db2.gz QACCRANZJSPTKO-OAHLLOKOSA-N 0 0 458.436 4.856 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)c2cc1C ZINC001360988327 1066159053 /nfs/dbraw/zinc/15/90/53/1066159053.db2.gz AOXRHBYDCNWOCY-JOCHJYFZSA-N 0 0 455.480 4.754 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC2)n1CC[S@@](=O)C(C)(C)C ZINC001360989188 1066159455 /nfs/dbraw/zinc/15/94/55/1066159455.db2.gz AIRJDCVNQLNQNN-NOVUIFNWSA-N 0 0 453.052 4.836 20 0 JJADRN COc1ccc(-c2ncc(C(=O)OCc3cccc(OC)c3OC(F)F)s2)cc1OC ZINC001360989135 1066159470 /nfs/dbraw/zinc/15/94/70/1066159470.db2.gz ZPEGNWDKHXBTLJ-UHFFFAOYSA-N 0 0 451.447 4.794 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCC(=O)N(C)C ZINC001360989193 1066159786 /nfs/dbraw/zinc/15/97/86/1066159786.db2.gz AOTYGBBJILKCLS-QFBILLFUSA-N 0 0 462.038 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1nccn1C(F)F ZINC001360989399 1066161207 /nfs/dbraw/zinc/16/12/07/1066161207.db2.gz DNMTYPIMMOPOFB-BBWFWOEESA-N 0 0 494.974 4.942 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CC(C)C ZINC001360989482 1066161339 /nfs/dbraw/zinc/16/13/39/1066161339.db2.gz FUNHTHXQZOBKSN-SFTDATJTSA-N 0 0 476.065 4.503 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(Cc2ccco2)C(C)C)n1CCn1cncn1 ZINC001360989529 1066161851 /nfs/dbraw/zinc/16/18/51/1066161851.db2.gz GRXJBZNKCOQEOB-IBGZPJMESA-N 0 0 484.004 4.988 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCSC1 ZINC001360989534 1066161902 /nfs/dbraw/zinc/16/19/02/1066161902.db2.gz GSQGPYNPXDOIFS-RTBURBONSA-N 0 0 475.062 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC[C@H]1COCCO1 ZINC001360989597 1066162116 /nfs/dbraw/zinc/16/21/16/1066162116.db2.gz HQQCRQPMOLPGSG-AEFFLSMTSA-N 0 0 490.954 4.882 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)(F)F)n1C[C@]1(O)CCSC1 ZINC001360989637 1066162494 /nfs/dbraw/zinc/16/24/94/1066162494.db2.gz IFKIYPZEVYGZCE-FOIQADDNSA-N 0 0 492.995 4.945 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(C)C)C2)n1CCCN1CCOCC1 ZINC001360989666 1066162833 /nfs/dbraw/zinc/16/28/33/1066162833.db2.gz IWKCNQHRHLDLDR-YADHBBJMSA-N 0 0 490.092 4.893 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@]1(C)CCCS1 ZINC001360989654 1066162852 /nfs/dbraw/zinc/16/28/52/1066162852.db2.gz IPYRDHCPPNZFCL-NXMSCROESA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1CCCNC(=O)C(C)C ZINC001360989695 1066163126 /nfs/dbraw/zinc/16/31/26/1066163126.db2.gz JKHKWRHPZNMBCZ-IBGZPJMESA-N 0 0 460.022 4.617 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360989699 1066163201 /nfs/dbraw/zinc/16/32/01/1066163201.db2.gz JKSHVEBTBXJUOM-AEFFLSMTSA-N 0 0 452.933 4.879 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(=O)NCC(F)F ZINC001360989744 1066163515 /nfs/dbraw/zinc/16/35/15/1066163515.db2.gz KGMFYEHQRJCIAC-KBRIMQKVSA-N 0 0 483.991 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C)CC2)n1CC(=O)NC(C)C ZINC001360989801 1066163790 /nfs/dbraw/zinc/16/37/90/1066163790.db2.gz KXZNGAIUCXXMPV-APWZRJJASA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC(C)C ZINC001360989845 1066164207 /nfs/dbraw/zinc/16/42/07/1066164207.db2.gz LXWHSXZQTQQNTQ-GOSISDBHSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCCN1CCOC1=O ZINC001360989832 1066164233 /nfs/dbraw/zinc/16/42/33/1066164233.db2.gz LJTADFMNGRHRKZ-AYOQOUSVSA-N 0 0 476.021 4.765 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001360989921 1066164516 /nfs/dbraw/zinc/16/45/16/1066164516.db2.gz NBILIHLJFGMISB-QAPCUYQASA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC3(CCCC3)C2)n1CCC(=O)N(C)C ZINC001360989924 1066164570 /nfs/dbraw/zinc/16/45/70/1066164570.db2.gz NBKNJOYIJLGDAZ-LJQANCHMSA-N 0 0 474.049 4.937 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H]1CCCOC1 ZINC001360989953 1066164615 /nfs/dbraw/zinc/16/46/15/1066164615.db2.gz NSSGVUBNQHXDHG-SFHLNBCPSA-N 0 0 463.022 4.730 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@]1(O)CCOC1 ZINC001360989995 1066164909 /nfs/dbraw/zinc/16/49/09/1066164909.db2.gz OIOWHDOSZLJSRP-RNHFSVANSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC(C)(C)C(F)(F)F ZINC001360990026 1066164937 /nfs/dbraw/zinc/16/49/37/1066164937.db2.gz PAMBEZUATHSYIK-GJZGRUSLSA-N 0 0 487.954 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@H](C)N1CCOCC1 ZINC001360990008 1066164946 /nfs/dbraw/zinc/16/49/46/1066164946.db2.gz ONEOLCGSBNSWHS-VRXWPRPYSA-N 0 0 476.065 4.644 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CO)CC2)n1C[C@H]1OCCC1(C)C ZINC001360990137 1066165779 /nfs/dbraw/zinc/16/57/79/1066165779.db2.gz QDWKPYSIMZOLHZ-GHTZIAJQSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001360990181 1066166240 /nfs/dbraw/zinc/16/62/40/1066166240.db2.gz QRJMIUWKDUJTNP-MHECFPHRSA-N 0 0 460.022 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360990210 1066166516 /nfs/dbraw/zinc/16/65/16/1066166516.db2.gz RAYYNOUFTLDWDZ-QGZVKYPTSA-N 0 0 499.002 4.710 20 0 JJADRN 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Cc1cc(C(F)(F)F)ccc1Cn1c(C(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001361007390 1066186561 /nfs/dbraw/zinc/18/65/61/1066186561.db2.gz JZOVOVSWTHBNMC-UHFFFAOYSA-N 0 0 491.480 4.672 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C ZINC001361007683 1066187066 /nfs/dbraw/zinc/18/70/66/1066187066.db2.gz AWHROACPLUYARK-IBGZPJMESA-N 0 0 477.575 4.694 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001361007927 1066187643 /nfs/dbraw/zinc/18/76/43/1066187643.db2.gz DLMQBAAIDOLSSC-VAMGGRTRSA-N 0 0 466.548 4.797 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001361008124 1066188180 /nfs/dbraw/zinc/18/81/80/1066188180.db2.gz IIXNVYDTMVNBPM-CALCHBBNSA-N 0 0 461.557 4.970 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001361008579 1066189859 /nfs/dbraw/zinc/18/98/59/1066189859.db2.gz OZZQUWWUJMRIMW-MRXNPFEDSA-N 0 0 498.475 4.788 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)c[nH]1 ZINC001361008593 1066189865 /nfs/dbraw/zinc/18/98/65/1066189865.db2.gz PHYCEYZKXUFOFX-UHFFFAOYSA-N 0 0 480.292 4.888 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nccs1 ZINC001361008636 1066190531 /nfs/dbraw/zinc/19/05/31/1066190531.db2.gz PYZGOGMMPDBECS-MRXNPFEDSA-N 0 0 451.518 4.641 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001361008802 1066190782 /nfs/dbraw/zinc/19/07/82/1066190782.db2.gz UGRJQWWQPFZZFZ-GASCZTMLSA-N 0 0 466.458 4.838 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSCC1 ZINC001361008811 1066190870 /nfs/dbraw/zinc/19/08/70/1066190870.db2.gz UKEDSQUCTHNQPN-UHFFFAOYSA-N 0 0 453.921 4.922 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1)c1ccccc1 ZINC001361009234 1066191690 /nfs/dbraw/zinc/19/16/90/1066191690.db2.gz HPPIBGXPPPKYFY-ROUUACIJSA-N 0 0 452.551 4.625 20 0 JJADRN COc1ccccc1-c1nc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC001361009930 1066192006 /nfs/dbraw/zinc/19/20/06/1066192006.db2.gz RRTJPDFTSNAMRD-UHFFFAOYSA-N 0 0 457.861 4.695 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccco2)c(C)c1 ZINC001361010295 1066192647 /nfs/dbraw/zinc/19/26/47/1066192647.db2.gz AELPFEZANMMDMM-HSZRJFAPSA-N 0 0 495.624 4.789 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001361010049 1066192706 /nfs/dbraw/zinc/19/27/06/1066192706.db2.gz TZDIKJQFYOZVEX-MRXNPFEDSA-N 0 0 456.377 4.523 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)C2)c(C)c1 ZINC001361010308 1066192779 /nfs/dbraw/zinc/19/27/79/1066192779.db2.gz AQWYFNKFMVBPID-UHFFFAOYSA-N 0 0 458.404 4.624 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1 ZINC001361011258 1066194098 /nfs/dbraw/zinc/19/40/98/1066194098.db2.gz NCRIENXWGMBSQR-FYYLOGMGSA-N 0 0 483.657 4.939 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H]2C)c(C)c1 ZINC001361011223 1066194134 /nfs/dbraw/zinc/19/41/34/1066194134.db2.gz LZNFUFZVTUBSJS-RBBKRZOGSA-N 0 0 469.630 4.549 20 0 JJADRN Cc1cc(C)c(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)c(C)c1 ZINC001361011876 1066195333 /nfs/dbraw/zinc/19/53/33/1066195333.db2.gz HQWWJMSWFBRZDR-IBGZPJMESA-N 0 0 450.530 4.671 20 0 JJADRN Cc1cc(C)c(Cn2c(N3CCO[C@H](C(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361011949 1066196041 /nfs/dbraw/zinc/19/60/41/1066196041.db2.gz KEWUUNWEKOEZCY-WNCULLNHSA-N 0 0 470.658 4.544 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCOc2ccc(Cl)cn2)c(C)c1 ZINC001361011951 1066196064 /nfs/dbraw/zinc/19/60/64/1066196064.db2.gz KEYMHEIJMUDECC-UHFFFAOYSA-N 0 0 485.032 4.703 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@H]2C)c(C)c1 ZINC001361012175 1066196756 /nfs/dbraw/zinc/19/67/56/1066196756.db2.gz RKXKQJRYVPJTMQ-CRDCFYADSA-N 0 0 497.684 4.755 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@@H]2C)c(C)c1 ZINC001361012176 1066196844 /nfs/dbraw/zinc/19/68/44/1066196844.db2.gz RKXKQJRYVPJTMQ-GTFGCAHESA-N 0 0 497.684 4.755 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c(C)c1 ZINC001361012225 1066197531 /nfs/dbraw/zinc/19/75/31/1066197531.db2.gz UFPCUKWPZACPFI-HXUWFJFHSA-N 0 0 486.661 4.657 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1)c1ccccc1 ZINC001361012667 1066198048 /nfs/dbraw/zinc/19/80/48/1066198048.db2.gz LNLAKMCDQDCMHR-UHFFFAOYSA-N 0 0 458.905 4.624 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001361012719 1066198096 /nfs/dbraw/zinc/19/80/96/1066198096.db2.gz NUHXPTMRJHBDBK-FQEVSTJZSA-N 0 0 450.988 4.783 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C)CCCC2)c(C)c1 ZINC001361014006 1066199579 /nfs/dbraw/zinc/19/95/79/1066199579.db2.gz CPMVTHBPPSFEQF-UHFFFAOYSA-N 0 0 460.626 4.844 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)c2ccccn2)c(C)c1 ZINC001361014262 1066200755 /nfs/dbraw/zinc/20/07/55/1066200755.db2.gz LFYUODOYCJTEKT-UHFFFAOYSA-N 0 0 483.620 4.713 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CCS(C)(=O)=O)c1 ZINC001361014993 1066202244 /nfs/dbraw/zinc/20/22/44/1066202244.db2.gz MNXQEESEOAKKAZ-UHFFFAOYSA-N 0 0 486.707 4.616 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2CCC(F)(F)CC2)c(C)c1 ZINC001361015119 1066202757 /nfs/dbraw/zinc/20/27/57/1066202757.db2.gz ZXYZNINZDDMIAK-FQEVSTJZSA-N 0 0 475.584 4.608 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1 ZINC001361015113 1066202967 /nfs/dbraw/zinc/20/29/67/1066202967.db2.gz ZSRZNBNATNLSQN-OAQYLSRUSA-N 0 0 498.672 4.705 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC001361015310 1066203326 /nfs/dbraw/zinc/20/33/26/1066203326.db2.gz UOWSUEXFFFGMJH-QFIPXVFZSA-N 0 0 474.653 4.577 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001361015435 1066203474 /nfs/dbraw/zinc/20/34/74/1066203474.db2.gz YNMXGFYQORUNCP-UHFFFAOYSA-N 0 0 495.071 4.936 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)c1 ZINC001361017472 1066206171 /nfs/dbraw/zinc/20/61/71/1066206171.db2.gz UEONRKDUCWTIJS-UHFFFAOYSA-N 0 0 458.532 4.708 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC001361017309 1066206310 /nfs/dbraw/zinc/20/63/10/1066206310.db2.gz PDBCJUQEHQYYDA-QFIPXVFZSA-N 0 0 451.590 4.918 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361018985 1066208701 /nfs/dbraw/zinc/20/87/01/1066208701.db2.gz USIHSMDPEQRIJN-XLIONFOSSA-N 0 0 467.580 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CC[C@@H]2COCCO2)c1 ZINC001361019384 1066209424 /nfs/dbraw/zinc/20/94/24/1066209424.db2.gz ZUTQANKPFWDIRT-WOJBJXKFSA-N 0 0 456.612 4.538 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)c(C)c12 ZINC001361020172 1066209918 /nfs/dbraw/zinc/20/99/18/1066209918.db2.gz QDWPZGOTRRVEMI-UHFFFAOYSA-N 0 0 450.583 4.579 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001361020646 1066210605 /nfs/dbraw/zinc/21/06/05/1066210605.db2.gz BQXURJVYFVATKF-GOSISDBHSA-N 0 0 479.654 4.721 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccc(C)o2)n1 ZINC001361020619 1066210690 /nfs/dbraw/zinc/21/06/90/1066210690.db2.gz ARZQOTUICGTXJS-UHFFFAOYSA-N 0 0 462.598 4.915 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361020670 1066211038 /nfs/dbraw/zinc/21/10/38/1066211038.db2.gz COXJGMGIWUZRBM-CVDCTZTESA-N 0 0 455.628 4.628 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361020828 1066211829 /nfs/dbraw/zinc/21/18/29/1066211829.db2.gz JROLATQPUBEYLA-FYYLOGMGSA-N 0 0 478.641 4.696 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001361021389 1066214591 /nfs/dbraw/zinc/21/45/91/1066214591.db2.gz WKRJCJVVMMQGNW-UHFFFAOYSA-N 0 0 489.624 4.871 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CSCCS2)o1 ZINC001361021540 1066214994 /nfs/dbraw/zinc/21/49/94/1066214994.db2.gz YLRKSLQNSXEARR-OAQYLSRUSA-N 0 0 458.653 4.860 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)CCC2)cc1 ZINC001361021685 1066215238 /nfs/dbraw/zinc/21/52/38/1066215238.db2.gz QROIHHJNPDHLMI-UHFFFAOYSA-N 0 0 454.057 4.852 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC2([S@](C)=O)CCC2)c1 ZINC001361022138 1066216258 /nfs/dbraw/zinc/21/62/58/1066216258.db2.gz HESYRGAQJGCCJL-KTBRYMIGSA-N 0 0 456.656 4.568 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001361022218 1066216935 /nfs/dbraw/zinc/21/69/35/1066216935.db2.gz JHWKMGGKNGRUFR-IBGZPJMESA-N 0 0 484.670 4.677 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361022168 1066216941 /nfs/dbraw/zinc/21/69/41/1066216941.db2.gz IEQARWOOYFQSNQ-WRALFONMSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001361022302 1066217435 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/nfs/dbraw/zinc/22/12/99/1066221299.db2.gz FQOKZSRWCJWKGN-SJORKVTESA-N 0 0 450.605 4.619 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1)OC ZINC001545951792 1066221715 /nfs/dbraw/zinc/22/17/15/1066221715.db2.gz CLMMGWLXCSRQPN-NLWGTHIKSA-N 0 0 451.011 4.729 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2OC)O1 ZINC001546056101 1066221953 /nfs/dbraw/zinc/22/19/53/1066221953.db2.gz AQRNFXBQLUSDGG-PXDATVDWSA-N 0 0 454.640 4.966 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2OC)O1 ZINC001546056099 1066222063 /nfs/dbraw/zinc/22/20/63/1066222063.db2.gz AQRNFXBQLUSDGG-BWKNWUBXSA-N 0 0 454.640 4.966 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCOC(C)(C)C)c(C)o1 ZINC001361024723 1066222743 /nfs/dbraw/zinc/22/27/43/1066222743.db2.gz PEXBFFLEKZSGMH-MHZLTWQESA-N 0 0 484.641 4.843 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361024948 1066223394 /nfs/dbraw/zinc/22/33/94/1066223394.db2.gz RTXBQGKMQNPHMD-GOTSBHOMSA-N 0 0 467.658 4.749 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)O1 ZINC001546056277 1066223246 /nfs/dbraw/zinc/22/32/46/1066223246.db2.gz DIFQCEQDWWNEOU-LIXHSBQKSA-N 0 0 456.631 4.825 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)Cc3ccccc3I)C2)c(O)cc1Cl ZINC001453943287 1066223898 /nfs/dbraw/zinc/22/38/98/1066223898.db2.gz IXTZWQHVSRCILP-AWEZNQCLSA-N 0 0 455.723 4.517 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361025114 1066224082 /nfs/dbraw/zinc/22/40/82/1066224082.db2.gz WXFRODZKWAZEJN-HBMCJLEFSA-N 0 0 471.646 4.822 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361025072 1066224092 /nfs/dbraw/zinc/22/40/92/1066224092.db2.gz VSGNCPXEQFXOIK-XMMPIXPASA-N 0 0 496.574 4.837 20 0 JJADRN C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccccn1 ZINC001442802967 1066224942 /nfs/dbraw/zinc/22/49/42/1066224942.db2.gz OCIOIVREMYZDSQ-VLIAUNLRSA-N 0 0 456.315 4.583 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)C2)c(O)cc1Cl ZINC001453953138 1066224692 /nfs/dbraw/zinc/22/46/92/1066224692.db2.gz XZTOVIYCAHZETB-UQBPGWFLSA-N 0 0 456.970 4.719 20 0 JJADRN COC(=O)c1cccc(CC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC001361025757 1066225422 /nfs/dbraw/zinc/22/54/22/1066225422.db2.gz OFFOJZWLOBSBNB-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN CC(C)COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026204 1066225446 /nfs/dbraw/zinc/22/54/46/1066225446.db2.gz BLGBAGRZQPHLDT-SANMLTNESA-N 0 0 451.588 4.573 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)CCOc3ccc(C)cc3Br)co2)cc1 ZINC001442810110 1066226194 /nfs/dbraw/zinc/22/61/94/1066226194.db2.gz GJHQHYYNTQLTKO-UHFFFAOYSA-N 0 0 459.340 4.549 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361026589 1066226790 /nfs/dbraw/zinc/22/67/90/1066226790.db2.gz CWTNSAZTGLKEQR-ROUUACIJSA-N 0 0 465.425 4.924 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)c(OC)c1 ZINC001453968288 1066226891 /nfs/dbraw/zinc/22/68/91/1066226891.db2.gz AVQGKTITRHRFEV-UHFFFAOYSA-N 0 0 455.942 4.776 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)c3cnn(-c4cccc(Br)c4)c3)co2)cc1 ZINC001442818364 1066227059 /nfs/dbraw/zinc/22/70/59/1066227059.db2.gz VHBBEIYFMWMVOY-UHFFFAOYSA-N 0 0 451.324 4.571 20 0 JJADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442821311 1066227180 /nfs/dbraw/zinc/22/71/80/1066227180.db2.gz XYHUBVGABHCALN-WBVHZDCISA-N 0 0 458.912 4.663 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCC[C@@H]1CC1(Cl)Cl ZINC001453966647 1066227086 /nfs/dbraw/zinc/22/70/86/1066227086.db2.gz ADYIGJNEXDJOFC-CQSZACIVSA-N 0 0 452.769 4.969 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361026739 1066227303 /nfs/dbraw/zinc/22/73/03/1066227303.db2.gz FPOAXIXOYXPZCB-NRFANRHFSA-N 0 0 471.646 4.871 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361026740 1066227390 /nfs/dbraw/zinc/22/73/90/1066227390.db2.gz FPOAXIXOYXPZCB-OAQYLSRUSA-N 0 0 471.646 4.871 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1OC ZINC001361026904 1066227738 /nfs/dbraw/zinc/22/77/38/1066227738.db2.gz LUACEFLFCPUYMG-FQEVSTJZSA-N 0 0 452.595 4.815 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(Br)s1 ZINC001442824995 1066227787 /nfs/dbraw/zinc/22/77/87/1066227787.db2.gz JVGUWUBIXMGBIX-ZDUSSCGKSA-N 0 0 454.365 4.632 20 0 JJADRN Cc1cc(NC(=O)c2ccc(NCc3cnn(C)c3)cc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001442824137 1066227859 /nfs/dbraw/zinc/22/78/59/1066227859.db2.gz DKEPBYUJARNVSO-UHFFFAOYSA-N 0 0 454.456 4.797 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545952203 1066227906 /nfs/dbraw/zinc/22/79/06/1066227906.db2.gz IPDOQZRICIPMMR-VLCRHTCISA-N 0 0 483.636 4.913 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCC[C@H]2CCCOC2)cc1 ZINC001453972982 1066227855 /nfs/dbraw/zinc/22/78/55/1066227855.db2.gz NYLSGQZDPLPQEW-LJQANCHMSA-N 0 0 458.624 4.640 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545952204 1066227919 /nfs/dbraw/zinc/22/79/19/1066227919.db2.gz IPDOQZRICIPMMR-YUXAGFNASA-N 0 0 483.636 4.913 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1)Nc1cccc(F)c1 ZINC001442822789 1066227927 /nfs/dbraw/zinc/22/79/27/1066227927.db2.gz HAOHPDOXZBNXGY-GQWLDOHISA-N 0 0 461.484 4.591 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CO)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361027044 1066228132 /nfs/dbraw/zinc/22/81/32/1066228132.db2.gz KQNTYHRUFAARGP-PMACEKPBSA-N 0 0 466.548 4.976 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)/C(=C\c2ccccc2)C(F)(F)F)c2ccccc2)c1 ZINC001361027094 1066228364 /nfs/dbraw/zinc/22/83/64/1066228364.db2.gz NKUPNCNCSJGEEP-ONQWYEKWSA-N 0 0 459.489 4.942 20 0 JJADRN COCCC1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1 ZINC001453975863 1066228267 /nfs/dbraw/zinc/22/82/67/1066228267.db2.gz UTLZESPACGRALJ-UHFFFAOYSA-N 0 0 458.624 4.610 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)Cc3nc(-c4ccco4)c(C)s3)CC2)c(OC)c1 ZINC001453978904 1066228461 /nfs/dbraw/zinc/22/84/61/1066228461.db2.gz LVGGNNCMXHVOPR-UHFFFAOYSA-N 0 0 456.564 4.686 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)/C=C\c2ccccc2O[C@@H](C)CC)c(F)cc1F ZINC001442830974 1066228431 /nfs/dbraw/zinc/22/84/31/1066228431.db2.gz ALWPUZFJFJSVOT-WOLCWHLNSA-N 0 0 452.523 4.946 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)cc1 ZINC001453979902 1066229254 /nfs/dbraw/zinc/22/92/54/1066229254.db2.gz YKSBXZQMAHWHNS-IGMOGCDKSA-N 0 0 451.405 4.741 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361027466 1066229360 /nfs/dbraw/zinc/22/93/60/1066229360.db2.gz OHVJMXHFCXOYQA-FQEVSTJZSA-N 0 0 471.646 4.871 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)C3)n2Cc2cccnc2OCC(F)(F)F)c1 ZINC001361027455 1066229562 /nfs/dbraw/zinc/22/95/62/1066229562.db2.gz NYCQXDTXUAXKHF-MRXNPFEDSA-N 0 0 475.515 4.705 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@](C)(O)C2CC2)c1 ZINC001361027397 1066229675 /nfs/dbraw/zinc/22/96/75/1066229675.db2.gz NQMIASSFORKHRV-HSZRJFAPSA-N 0 0 466.548 4.804 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001442842284 1066229718 /nfs/dbraw/zinc/22/97/18/1066229718.db2.gz NUXCNEJJCUPPBG-UHFFFAOYSA-N 0 0 450.608 4.548 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001442837028 1066230055 /nfs/dbraw/zinc/23/00/55/1066230055.db2.gz KGGKBFCPMSJTBB-UHFFFAOYSA-N 0 0 453.926 4.811 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCCOC[C@@H]2CCOC2)c1 ZINC001361027512 1066230406 /nfs/dbraw/zinc/23/04/06/1066230406.db2.gz CJZFRQXKPFPZMW-FQEVSTJZSA-N 0 0 496.574 4.696 20 0 JJADRN CCCN(C(=O)c1cccc(Nc2ccc(C)nn2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001442843280 1066230761 /nfs/dbraw/zinc/23/07/61/1066230761.db2.gz DQUKPMGKBRIKBR-UHFFFAOYSA-N 0 0 457.578 4.686 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccc2OC)O1 ZINC001546057187 1066231195 /nfs/dbraw/zinc/23/11/95/1066231195.db2.gz OOOMXIUZDVANAW-BWKNWUBXSA-N 0 0 470.017 4.910 20 0 JJADRN C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001442849613 1066231414 /nfs/dbraw/zinc/23/14/14/1066231414.db2.gz IDKBBGCCZIFFLS-SFHVURJKSA-N 0 0 456.539 4.554 20 0 JJADRN C[C@@H](NC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Oc2ccccc2)cc1 ZINC001442849645 1066231571 /nfs/dbraw/zinc/23/15/71/1066231571.db2.gz IHNHKIWPDPLTBV-BCHFMIIMSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361028070 1066231959 /nfs/dbraw/zinc/23/19/59/1066231959.db2.gz FZZXAJYRYYCYLQ-UHFFFAOYSA-N 0 0 489.546 4.568 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001361028014 1066232044 /nfs/dbraw/zinc/23/20/44/1066232044.db2.gz VYGRWCLGCPKMJO-UHFFFAOYSA-N 0 0 475.424 4.772 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C1 ZINC001442857616 1066232366 /nfs/dbraw/zinc/23/23/66/1066232366.db2.gz QAQCUGABLSSEKU-AWEZNQCLSA-N 0 0 453.967 4.674 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(COC)CC2)O1 ZINC001546056598 1066232480 /nfs/dbraw/zinc/23/24/80/1066232480.db2.gz HWKRVPQHBHXAKK-OFVILXPXSA-N 0 0 460.594 4.597 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(COC)CC2)O1 ZINC001546056600 1066232511 /nfs/dbraw/zinc/23/25/11/1066232511.db2.gz HWKRVPQHBHXAKK-SQJMNOBHSA-N 0 0 460.594 4.597 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCc3c(Br)cccc3C2)c(Br)c1 ZINC001442861689 1066232935 /nfs/dbraw/zinc/23/29/35/1066232935.db2.gz YBBANDMRYBPJIC-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN CCCCCn1nc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c2ccccc2c1=O ZINC001454007249 1066233337 /nfs/dbraw/zinc/23/33/37/1066233337.db2.gz QLTJVYMXALBDKT-UHFFFAOYSA-N 0 0 451.542 4.547 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2ccsc2)c1 ZINC001361028624 1066233953 /nfs/dbraw/zinc/23/39/53/1066233953.db2.gz MYLVMVSDHQSKBE-UHFFFAOYSA-N 0 0 495.693 4.861 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1Br ZINC001442866888 1066233917 /nfs/dbraw/zinc/23/39/17/1066233917.db2.gz FBXLHVRPOZADFN-QGZVFWFLSA-N 0 0 453.421 4.699 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CC=CCO2)c1 ZINC001361028837 1066234665 /nfs/dbraw/zinc/23/46/65/1066234665.db2.gz SJCWUTAHQXQKKC-LJQANCHMSA-N 0 0 450.505 4.598 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC001454013581 1066235246 /nfs/dbraw/zinc/23/52/46/1066235246.db2.gz HGPFGNGBPGUXPO-NHCUHLMSSA-N 0 0 474.646 4.982 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC001442871473 1066235513 /nfs/dbraw/zinc/23/55/13/1066235513.db2.gz MEERWECGKSCEEY-UHFFFAOYSA-N 0 0 453.539 4.973 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2CC2(C)C)c1 ZINC001361029024 1066235956 /nfs/dbraw/zinc/23/59/56/1066235956.db2.gz XFGZKTIGJMSJEU-GMAHTHKFSA-N 0 0 481.685 4.897 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)c(C)o1 ZINC001361029043 1066236191 /nfs/dbraw/zinc/23/61/91/1066236191.db2.gz XRYROTGKWGHIOT-CCLHPLFOSA-N 0 0 482.625 4.595 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001442880711 1066236420 /nfs/dbraw/zinc/23/64/20/1066236420.db2.gz QQEHTHWMAYCHRX-HXUWFJFHSA-N 0 0 455.603 4.507 20 0 JJADRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454021525 1066236494 /nfs/dbraw/zinc/23/64/94/1066236494.db2.gz PQUORSOFCNFPDG-CYBMUJFWSA-N 0 0 454.374 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NCC2CCc3ccccc3CC2)CC1 ZINC001454019980 1066236519 /nfs/dbraw/zinc/23/65/19/1066236519.db2.gz WLHUDQSKNVJVMO-UHFFFAOYSA-N 0 0 453.583 4.714 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2[C@@H]2C[C@H]2C(C)C)c1 ZINC001361029130 1066236587 /nfs/dbraw/zinc/23/65/87/1066236587.db2.gz ZLRZRHDLFNGEGI-GSEOLPGOSA-N 0 0 452.521 4.847 20 0 JJADRN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454023462 1066236634 /nfs/dbraw/zinc/23/66/34/1066236634.db2.gz TZEOVJJYYREVQI-NRFANRHFSA-N 0 0 455.526 4.959 20 0 JJADRN NC(=O)N[C@@H](CC(=O)NCC1CCc2ccccc2CC1)c1cccc(Oc2ccccc2)c1 ZINC001454021732 1066236648 /nfs/dbraw/zinc/23/66/48/1066236648.db2.gz ZRENQFWLDJAJPZ-SANMLTNESA-N 0 0 457.574 4.890 20 0 JJADRN Cc1ccc(OCCCC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1 ZINC001361029278 1066236690 /nfs/dbraw/zinc/23/66/90/1066236690.db2.gz DWGIDALFECHULL-UHFFFAOYSA-N 0 0 453.764 4.633 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001361029151 1066236728 /nfs/dbraw/zinc/23/67/28/1066236728.db2.gz ZYLGJRIKXREXOX-HXUWFJFHSA-N 0 0 454.644 4.749 20 0 JJADRN Cc1nc(Br)sc1C(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454024981 1066237264 /nfs/dbraw/zinc/23/72/64/1066237264.db2.gz XATWLKBXPKLORP-UHFFFAOYSA-N 0 0 453.406 4.740 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC001361029807 1066237389 /nfs/dbraw/zinc/23/73/89/1066237389.db2.gz RYMARAZOWUJAJT-UHFFFAOYSA-N 0 0 458.562 4.607 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCCO2)O1 ZINC001546056769 1066237350 /nfs/dbraw/zinc/23/73/50/1066237350.db2.gz JQGSVNGEJSDIHB-JCYRPKCISA-N 0 0 456.631 4.827 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2Cl)O1 ZINC001546056842 1066238269 /nfs/dbraw/zinc/23/82/69/1066238269.db2.gz KNLBAAMWNYJDIY-KOSHJBKYSA-N 0 0 488.057 4.907 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001361030702 1066238245 /nfs/dbraw/zinc/23/82/45/1066238245.db2.gz VFKQNXQLYGNBFL-YJLYGGOZSA-N 0 0 458.961 4.802 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)c1ccccc1 ZINC001442908607 1066238771 /nfs/dbraw/zinc/23/87/71/1066238771.db2.gz QMTONDWEHOCUPQ-UHFFFAOYSA-N 0 0 455.388 4.567 20 0 JJADRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001361030866 1066238850 /nfs/dbraw/zinc/23/88/50/1066238850.db2.gz ZTXIWLKHTVQELB-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546057364 1066238766 /nfs/dbraw/zinc/23/87/66/1066238766.db2.gz QWFQUZULUGZNDQ-OFVILXPXSA-N 0 0 453.587 4.754 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)c1 ZINC001361030929 1066238912 /nfs/dbraw/zinc/23/89/12/1066238912.db2.gz BETXPJYQCGZTBT-FCHUYYIVSA-N 0 0 456.631 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3ccc(Oc4cccnn4)cc3)cc2C1 ZINC001454041277 1066239438 /nfs/dbraw/zinc/23/94/38/1066239438.db2.gz GVPBKRUGUUCXAF-UHFFFAOYSA-N 0 0 452.536 4.876 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@](C)(O)c2cccs2)c1 ZINC001361031061 1066239499 /nfs/dbraw/zinc/23/94/99/1066239499.db2.gz GOJZTYALWXXPIP-MHECFPHRSA-N 0 0 476.593 4.925 20 0 JJADRN COCc1nc(C(=O)N2CCOc3cc(Br)ccc3C2)c(-c2ccccc2)s1 ZINC001454043869 1066239500 /nfs/dbraw/zinc/23/95/00/1066239500.db2.gz BXIRLGVMLIUCOS-UHFFFAOYSA-N 0 0 459.365 4.754 20 0 JJADRN O=C(N[C@H](c1ccncc1)C1(CO)CCC1)c1cnc(-c2ccccc2Br)s1 ZINC001454041846 1066239749 /nfs/dbraw/zinc/23/97/49/1066239749.db2.gz LPBBGQJNUAWPOH-GOSISDBHSA-N 0 0 458.381 4.601 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]4CCC[C@H]43)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361031156 1066240021 /nfs/dbraw/zinc/24/00/21/1066240021.db2.gz JIFHRDWVEZFHIL-RZUBCFFCSA-N 0 0 469.630 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@H]2CC=CCO2)c1 ZINC001361031119 1066240058 /nfs/dbraw/zinc/24/00/58/1066240058.db2.gz IHIRLYPFXKZZLY-DEOSSOPVSA-N 0 0 468.642 4.851 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361031115 1066240078 /nfs/dbraw/zinc/24/00/78/1066240078.db2.gz IADGZMXMCZJHKC-OAQYLSRUSA-N 0 0 489.611 4.748 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361031114 1066240283 /nfs/dbraw/zinc/24/02/83/1066240283.db2.gz IADGZMXMCZJHKC-NRFANRHFSA-N 0 0 489.611 4.748 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](COC)C2)O1 ZINC001546057478 1066240292 /nfs/dbraw/zinc/24/02/92/1066240292.db2.gz SNAWSMAJKQHNFX-UWUFEASWSA-N 0 0 460.594 4.597 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2cnn(C)c2)O1 ZINC001546057490 1066240399 /nfs/dbraw/zinc/24/03/99/1066240399.db2.gz SPONLLMRJUWARH-KKSFZXQISA-N 0 0 465.385 4.989 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)CCC1 ZINC001454056417 1066241074 /nfs/dbraw/zinc/24/10/74/1066241074.db2.gz DDINVSWVUGHGSS-UHFFFAOYSA-N 0 0 450.551 4.994 20 0 JJADRN O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442925162 1066241678 /nfs/dbraw/zinc/24/16/78/1066241678.db2.gz QRFODEAIEFPICW-LBPRGKRZSA-N 0 0 454.811 4.963 20 0 JJADRN CCc1c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001454058532 1066241980 /nfs/dbraw/zinc/24/19/80/1066241980.db2.gz CMEDUJFQKRDDHO-FYSMJZIKSA-N 0 0 458.990 4.608 20 0 JJADRN CCc1c(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001454058543 1066242029 /nfs/dbraw/zinc/24/20/29/1066242029.db2.gz CMEDUJFQKRDDHO-UPCLLVRISA-N 0 0 458.990 4.608 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(C3)CCOCC4)n2CCSC(F)(F)F)c1 ZINC001361031591 1066242244 /nfs/dbraw/zinc/24/22/44/1066242244.db2.gz WARUOLALFCMHJG-UHFFFAOYSA-N 0 0 470.561 4.734 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC001442926962 1066242628 /nfs/dbraw/zinc/24/26/28/1066242628.db2.gz IAMURAVUDHIIIR-NRFANRHFSA-N 0 0 456.970 4.509 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cccc(Nc4nccc(C)n4)c3)s2)c1 ZINC001442926889 1066242645 /nfs/dbraw/zinc/24/26/45/1066242645.db2.gz WGTKHVNDTLNOGC-UHFFFAOYSA-N 0 0 459.531 4.615 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546057586 1066242815 /nfs/dbraw/zinc/24/28/15/1066242815.db2.gz UWVSSGAWNGKYAT-YBWLXYFRSA-N 0 0 458.672 4.750 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(F)(F)c2ccccc2C)c1 ZINC001454068096 1066242831 /nfs/dbraw/zinc/24/28/31/1066242831.db2.gz YDIITKYEEVEMIK-UHFFFAOYSA-N 0 0 458.530 4.934 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@]2(C)CCCS2)c1 ZINC001361031702 1066243027 /nfs/dbraw/zinc/24/30/27/1066243027.db2.gz ZHDSGRUUHGOBAD-SANMLTNESA-N 0 0 485.698 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001361031686 1066243113 /nfs/dbraw/zinc/24/31/13/1066243113.db2.gz YOZFHWXAPMENCD-XMSQKQJNSA-N 0 0 452.521 4.822 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001454073177 1066243274 /nfs/dbraw/zinc/24/32/74/1066243274.db2.gz XACKAVCGRKDORH-HFJWLAOPSA-N 0 0 451.567 4.958 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCSCC(F)(F)F)c1 ZINC001361031831 1066243651 /nfs/dbraw/zinc/24/36/51/1066243651.db2.gz CCFMPGFFDAHXHG-FQEVSTJZSA-N 0 0 494.587 4.844 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3c3ccsc3)n2CCNC(=O)C(C)C)c1 ZINC001361031852 1066243708 /nfs/dbraw/zinc/24/37/08/1066243708.db2.gz CZWCQTVLZAQXNP-JOCHJYFZSA-N 0 0 467.639 4.649 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3c3ccsc3)n2CCNC(=O)C(C)C)c1 ZINC001361031853 1066243745 /nfs/dbraw/zinc/24/37/45/1066243745.db2.gz CZWCQTVLZAQXNP-QFIPXVFZSA-N 0 0 467.639 4.649 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCCC3)n2CCCOC[C@H]2CCOC2)c1 ZINC001361031939 1066243837 /nfs/dbraw/zinc/24/38/37/1066243837.db2.gz GEPDWGKFJJQLSY-HSZRJFAPSA-N 0 0 456.631 4.688 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546057810 1066243935 /nfs/dbraw/zinc/24/39/35/1066243935.db2.gz XMFJMKUTBNWNNS-OFVILXPXSA-N 0 0 458.672 4.751 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361032029 1066244345 /nfs/dbraw/zinc/24/43/45/1066244345.db2.gz IQQVDMMGZBIBBY-PKTZIBPZSA-N 0 0 495.668 4.545 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2)cc1C ZINC001442944224 1066244430 /nfs/dbraw/zinc/24/44/30/1066244430.db2.gz UVRHAQWTQLWVLV-QHCPKHFHSA-N 0 0 450.560 4.748 20 0 JJADRN CCOC(=O)N(C)C1CCN(C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)CC1 ZINC001442942219 1066244472 /nfs/dbraw/zinc/24/44/72/1066244472.db2.gz SONOJTWYZKRKTO-UHFFFAOYSA-N 0 0 455.502 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@H]3CCCOc4ccccc43)cs2)CC1 ZINC001442944253 1066244608 /nfs/dbraw/zinc/24/46/08/1066244608.db2.gz UZQGWECAHMNZQD-SFHVURJKSA-N 0 0 457.596 4.901 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)O1 ZINC001546057950 1066244641 /nfs/dbraw/zinc/24/46/41/1066244641.db2.gz ZCABUUOVUVWCLU-VAPDBKPJSA-N 0 0 466.630 4.693 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001442955408 1066245096 /nfs/dbraw/zinc/24/50/96/1066245096.db2.gz KAFYAMPOIPEYJG-HKBOAZHASA-N 0 0 459.631 4.501 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545952842 1066245145 /nfs/dbraw/zinc/24/51/45/1066245145.db2.gz PGLPUMDQIZWIMT-WIYYLYMNSA-N 0 0 485.629 4.812 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cccc(COc4cccc(F)c4)c3)C2)s1 ZINC001454095139 1066245242 /nfs/dbraw/zinc/24/52/42/1066245242.db2.gz WKMWLFROAXVDKG-GOSISDBHSA-N 0 0 454.523 4.668 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 ZINC001454100105 1066245386 /nfs/dbraw/zinc/24/53/86/1066245386.db2.gz JSAQGSLGKVPIBH-IERDGZPVSA-N 0 0 451.348 4.632 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2C2CC2)c1 ZINC001361032301 1066245538 /nfs/dbraw/zinc/24/55/38/1066245538.db2.gz PWMJWAHOLKWAIA-LJQANCHMSA-N 0 0 455.603 4.550 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2nccs2)c1 ZINC001361032313 1066245679 /nfs/dbraw/zinc/24/56/79/1066245679.db2.gz QKHWTCYHYMKASI-KRWDZBQOSA-N 0 0 481.544 4.526 20 0 JJADRN O=C(Cc1ccc(NC(=O)[C@H](O)c2ccccc2C(F)(F)F)cc1)N1CCc2ccccc21 ZINC001442958074 1066245685 /nfs/dbraw/zinc/24/56/85/1066245685.db2.gz AMQIDKUDXXYMFT-HSZRJFAPSA-N 0 0 454.448 4.509 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H](O)c1ccc(Cl)cc1 ZINC001454109848 1066246027 /nfs/dbraw/zinc/24/60/27/1066246027.db2.gz RGSMDGODYKWRJC-RTBURBONSA-N 0 0 453.757 4.716 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001361032475 1066246232 /nfs/dbraw/zinc/24/62/32/1066246232.db2.gz BMPWGIIVOPIHQD-OAQYLSRUSA-N 0 0 452.551 4.958 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1noc2ccc(Br)cc12)[C@@H](O)c1ccc(Cl)cc1 ZINC001454109903 1066246265 /nfs/dbraw/zinc/24/62/65/1066246265.db2.gz RIIMQMIFLKFGJT-PMACEKPBSA-N 0 0 451.748 4.661 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 ZINC001442964999 1066246771 /nfs/dbraw/zinc/24/67/71/1066246771.db2.gz XEVGLUMXZHATTC-UHFFFAOYSA-N 0 0 453.546 4.801 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC(=O)N(C(C)C)C(C)(C)C3)cc12 ZINC001361032794 1066247664 /nfs/dbraw/zinc/24/76/64/1066247664.db2.gz HMIXGFIZKJFMMK-UHFFFAOYSA-N 0 0 459.015 4.579 20 0 JJADRN O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001546058113 1066247957 /nfs/dbraw/zinc/24/79/57/1066247957.db2.gz CLMOBEPGHUFFFE-LSDHHAIUSA-N 0 0 453.753 4.680 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2CCCC(F)(F)F)c1 ZINC001361032926 1066248150 /nfs/dbraw/zinc/24/81/50/1066248150.db2.gz WEQSADMTJHZIEO-PMACEKPBSA-N 0 0 452.521 4.964 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2CCCC(F)(F)F)c1 ZINC001361032927 1066248311 /nfs/dbraw/zinc/24/83/11/1066248311.db2.gz WEQSADMTJHZIEO-UXHICEINSA-N 0 0 452.521 4.964 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)cc1)c1cccs1 ZINC001442970851 1066248462 /nfs/dbraw/zinc/24/84/62/1066248462.db2.gz BPGAOFWATGKHDV-UHFFFAOYSA-N 0 0 457.309 4.597 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Br)c2C)C1(C)C ZINC001442972916 1066248554 /nfs/dbraw/zinc/24/85/54/1066248554.db2.gz BTNUFAJXIWGJAI-IERDGZPVSA-N 0 0 455.393 4.795 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1OCCC ZINC001454130596 1066248640 /nfs/dbraw/zinc/24/86/40/1066248640.db2.gz UXFNWWZYIMNKHD-PZJWPPBQSA-N 0 0 481.589 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H]2CCCCO2)c1 ZINC001361033079 1066248947 /nfs/dbraw/zinc/24/89/47/1066248947.db2.gz XREFRMXPVJVQRK-WOJBJXKFSA-N 0 0 482.547 4.591 20 0 JJADRN C[C@H](C(=O)NCc1nc(-c2ccncc2)cs1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442974931 1066249135 /nfs/dbraw/zinc/24/91/35/1066249135.db2.gz IPMDLHGVFANATP-HRAATJIYSA-N 0 0 452.580 4.723 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001546058192 1066249487 /nfs/dbraw/zinc/24/94/87/1066249487.db2.gz GJGVFLQHNWGQCL-INIZCTEOSA-N 0 0 452.420 4.528 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCS2)c1 ZINC001361033220 1066249569 /nfs/dbraw/zinc/24/95/69/1066249569.db2.gz ZXCBXCZMJVSCQG-IFMALSPDSA-N 0 0 485.698 4.501 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)CC[C@H]2[C@@H](C)n3nccc3N[C@H]2C)cc1OC ZINC001442976611 1066249649 /nfs/dbraw/zinc/24/96/49/1066249649.db2.gz VXHBSAMVSPTUNI-YUVXSKOASA-N 0 0 454.615 4.686 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361033345 1066249725 /nfs/dbraw/zinc/24/97/25/1066249725.db2.gz QAXQMWNYKGTYII-OYUWMTPXSA-N 0 0 476.642 4.728 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)cnc1C(F)(F)F ZINC001454149095 1066249862 /nfs/dbraw/zinc/24/98/62/1066249862.db2.gz FJSJHNTXXHJZSR-DJIMGWMZSA-N 0 0 457.493 4.542 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC001454144746 1066249964 /nfs/dbraw/zinc/24/99/64/1066249964.db2.gz KTFNFIMSYNBBNT-IBGZPJMESA-N 0 0 455.484 4.898 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001361033641 1066250185 /nfs/dbraw/zinc/25/01/85/1066250185.db2.gz ZDWVMYRFDUGHJK-FQEVSTJZSA-N 0 0 459.384 4.675 20 0 JJADRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(Br)nc1 ZINC001361033441 1066250200 /nfs/dbraw/zinc/25/02/00/1066250200.db2.gz TYJPFYKHZXDRKH-HXUWFJFHSA-N 0 0 459.727 4.788 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 ZINC001442988946 1066250624 /nfs/dbraw/zinc/25/06/24/1066250624.db2.gz PFRCMEQCHUNIJW-HSZRJFAPSA-N 0 0 453.583 4.984 20 0 JJADRN O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC001546058372 1066250713 /nfs/dbraw/zinc/25/07/13/1066250713.db2.gz LJOJAUXQEALCNZ-IBGZPJMESA-N 0 0 453.848 4.561 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361034760 1066250982 /nfs/dbraw/zinc/25/09/82/1066250982.db2.gz COVHOUZQGURDRI-UHFFFAOYSA-N 0 0 495.590 4.757 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001546058401 1066251100 /nfs/dbraw/zinc/25/11/00/1066251100.db2.gz MMRNAZZIHCSZOI-HXUWFJFHSA-N 0 0 455.908 4.570 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC001545953473 1066251297 /nfs/dbraw/zinc/25/12/97/1066251297.db2.gz YHPQIHFCWNTFOI-QXAKKESOSA-N 0 0 494.036 4.600 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001442996451 1066251398 /nfs/dbraw/zinc/25/13/98/1066251398.db2.gz MKKYOVHKNJNUPT-BKMJKUGQSA-N 0 0 457.615 4.998 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001546058431 1066251272 /nfs/dbraw/zinc/25/12/72/1066251272.db2.gz NKMNPEYAMGHJRN-QRVBRYPASA-N 0 0 451.007 4.993 20 0 JJADRN C[C@H](CC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001546058430 1066251328 /nfs/dbraw/zinc/25/13/28/1066251328.db2.gz NKMNPEYAMGHJRN-GUDVDZBRSA-N 0 0 451.007 4.993 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361034990 1066252365 /nfs/dbraw/zinc/25/23/65/1066252365.db2.gz LUOATNKPQUKVGW-YADHBBJMSA-N 0 0 467.658 4.605 20 0 JJADRN CC[C@H](C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1cccc(C(F)(F)F)c1 ZINC001454194545 1066252697 /nfs/dbraw/zinc/25/26/97/1066252697.db2.gz OOFFZQQHYLCFDE-FQEVSTJZSA-N 0 0 457.500 4.796 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545953108 1066253263 /nfs/dbraw/zinc/25/32/63/1066253263.db2.gz UDUKFVVINLUMSY-KPFFTGBYSA-N 0 0 494.036 4.600 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361035500 1066253730 /nfs/dbraw/zinc/25/37/30/1066253730.db2.gz YNAWCDAIPCSIQF-OAQYLSRUSA-N 0 0 481.597 4.609 20 0 JJADRN CCN(C(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001454203615 1066254106 /nfs/dbraw/zinc/25/41/06/1066254106.db2.gz NHZINWWPTJTYPX-GOSISDBHSA-N 0 0 451.489 4.546 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454217085 1066254710 /nfs/dbraw/zinc/25/47/10/1066254710.db2.gz HYDQNVRXUFAAGJ-LBPRGKRZSA-N 0 0 458.747 4.715 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001361037192 1066255388 /nfs/dbraw/zinc/25/53/88/1066255388.db2.gz BIHQVBVAZFMFQX-IBGZPJMESA-N 0 0 457.452 4.703 20 0 JJADRN Cn1ncc2c1CC(C)(C)CN(C(=O)c1csc(-c3ccc(Br)s3)n1)C2 ZINC001454216159 1066255336 /nfs/dbraw/zinc/25/53/36/1066255336.db2.gz CRACZSGKLWNXAL-UHFFFAOYSA-N 0 0 451.415 4.592 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cc2F)n1 ZINC001443028528 1066256191 /nfs/dbraw/zinc/25/61/91/1066256191.db2.gz CBPXVVDAMPVKKL-NRFANRHFSA-N 0 0 458.331 4.604 20 0 JJADRN Cc1cccc(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1Br ZINC001443026197 1066256346 /nfs/dbraw/zinc/25/63/46/1066256346.db2.gz HHCUAFVEBVXTOG-QGZVFWFLSA-N 0 0 453.174 4.663 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361038068 1066256529 /nfs/dbraw/zinc/25/65/29/1066256529.db2.gz DRDJYMXPOKFVIM-FQEVSTJZSA-N 0 0 485.620 4.546 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2ccccc2N=S(C)(C)=O)C1 ZINC001454243008 1066256792 /nfs/dbraw/zinc/25/67/92/1066256792.db2.gz UWXOYHUAKRDBJF-UHFFFAOYSA-N 0 0 454.571 4.595 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001443033256 1066256853 /nfs/dbraw/zinc/25/68/53/1066256853.db2.gz XIHSQBRPSDYYDD-YHVDPYDOSA-N 0 0 455.146 4.808 20 0 JJADRN CC(C)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cccc(C(F)(F)F)n1 ZINC001443031449 1066256878 /nfs/dbraw/zinc/25/68/78/1066256878.db2.gz TYYOXKCUJFPWRR-OAHLLOKOSA-N 0 0 457.290 4.741 20 0 JJADRN Cc1csc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001361038474 1066257206 /nfs/dbraw/zinc/25/72/06/1066257206.db2.gz JFWHRSVGSKXQEU-HXUWFJFHSA-N 0 0 455.628 4.538 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC001454247391 1066257511 /nfs/dbraw/zinc/25/75/11/1066257511.db2.gz NOGPMITUIDDEKD-UHFFFAOYSA-N 0 0 452.352 4.935 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N(C)Cc2ccon2)O1 ZINC001546058939 1066257643 /nfs/dbraw/zinc/25/76/43/1066257643.db2.gz CGYIRVLZOJEJLK-MBSDFSHPSA-N 0 0 457.600 4.551 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N(C)Cc2ccon2)O1 ZINC001546058938 1066257655 /nfs/dbraw/zinc/25/76/55/1066257655.db2.gz CGYIRVLZOJEJLK-JPYJTQIMSA-N 0 0 457.600 4.551 20 0 JJADRN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC001545953734 1066258175 /nfs/dbraw/zinc/25/81/75/1066258175.db2.gz HMOAGFRAZIWJIC-UHFFFAOYSA-N 0 0 452.555 4.666 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC[C@@H]3C)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001361038853 1066258522 /nfs/dbraw/zinc/25/85/22/1066258522.db2.gz QSWWEPJWWUPXAE-KRWDZBQOSA-N 0 0 491.423 4.513 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC[C@H]3C)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001361038854 1066258593 /nfs/dbraw/zinc/25/85/93/1066258593.db2.gz QSWWEPJWWUPXAE-QGZVFWFLSA-N 0 0 491.423 4.513 20 0 JJADRN CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21)Cc1ccccc1Cl ZINC001443051435 1066258824 /nfs/dbraw/zinc/25/88/24/1066258824.db2.gz MYVXGXBIHGXOMI-UHFFFAOYSA-N 0 0 458.002 4.946 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC001443053119 1066258941 /nfs/dbraw/zinc/25/89/41/1066258941.db2.gz BIHQEBRMIKOQIL-MRXNPFEDSA-N 0 0 451.419 4.860 20 0 JJADRN C[C@H]1Cn2nc(C(=O)NCC3(c4ccc(Cl)cc4)CCC3)cc2CN1C(=O)OC(C)(C)C ZINC001443052737 1066259146 /nfs/dbraw/zinc/25/91/46/1066259146.db2.gz XKUZFANUZQMYFV-INIZCTEOSA-N 0 0 458.990 4.527 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC4(CCCC4)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361039023 1066259117 /nfs/dbraw/zinc/25/91/17/1066259117.db2.gz VUMPKXUSNQBTEU-UHFFFAOYSA-N 0 0 495.590 4.508 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@@H](c3ccccc3F)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001443054622 1066259656 /nfs/dbraw/zinc/25/96/56/1066259656.db2.gz BTHFJWWFIARDIK-HSZRJFAPSA-N 0 0 450.558 4.870 20 0 JJADRN Cc1cc2c(CCNC(=O)c3cc(Cl)ccc3I)c[nH]c2cc1F ZINC001454263037 1066259667 /nfs/dbraw/zinc/25/96/67/1066259667.db2.gz ITVUEDOTFXTZOO-UHFFFAOYSA-N 0 0 456.686 4.846 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC001454266395 1066260107 /nfs/dbraw/zinc/26/01/07/1066260107.db2.gz BSRDRALXRUMCGK-FNHZYXHNSA-N 0 0 453.535 4.812 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc(Br)c(F)cc1N)c1ccccc1 ZINC001443054836 1066260025 /nfs/dbraw/zinc/26/00/25/1066260025.db2.gz PRLSYZAFZRHUGE-CYBMUJFWSA-N 0 0 456.315 4.914 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)NC3(CNC(=O)OC(C)(C)C)CCCCC3)C2=O)cc1 ZINC001454267683 1066260680 /nfs/dbraw/zinc/26/06/80/1066260680.db2.gz RUHJHXGNPLFCNM-OAQYLSRUSA-N 0 0 457.615 4.507 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001443056068 1066260695 /nfs/dbraw/zinc/26/06/95/1066260695.db2.gz YSSNCWZBZNKAPE-UHFFFAOYSA-N 0 0 452.551 4.832 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001454267233 1066260788 /nfs/dbraw/zinc/26/07/88/1066260788.db2.gz IYNYHDJTTDZXHZ-OAHLLOKOSA-N 0 0 457.543 4.948 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC3([C@@H]4CCCCO4)CCC3)cc2)c1C ZINC001454267281 1066260801 /nfs/dbraw/zinc/26/08/01/1066260801.db2.gz JBCFMXDSBHKYFA-QHCPKHFHSA-N 0 0 456.608 4.573 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(Nc3ccn(C)n3)n2Cc2cc(Br)cs2)c1 ZINC001361039533 1066260918 /nfs/dbraw/zinc/26/09/18/1066260918.db2.gz LGXLYCFOJWVMFH-UHFFFAOYSA-N 0 0 473.400 4.823 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc(F)c(Br)cc1N)c1ccccc1 ZINC001443057661 1066261132 /nfs/dbraw/zinc/26/11/32/1066261132.db2.gz VWNNYJKWMBFWIL-CYBMUJFWSA-N 0 0 456.315 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C1 ZINC001443059142 1066261234 /nfs/dbraw/zinc/26/12/34/1066261234.db2.gz HLGJVSKEYFKRKK-OXJNMPFZSA-N 0 0 454.970 4.806 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546059133 1066261387 /nfs/dbraw/zinc/26/13/87/1066261387.db2.gz FNUHZCJYZCUIEZ-RZIGYZOXSA-N 0 0 496.700 4.661 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)s1 ZINC001361039660 1066261645 /nfs/dbraw/zinc/26/16/45/1066261645.db2.gz PWBBOYAOTQFWNF-DNVCBOLYSA-N 0 0 465.545 4.922 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361039629 1066261739 /nfs/dbraw/zinc/26/17/39/1066261739.db2.gz OKADYWREWPRVJO-HXUWFJFHSA-N 0 0 457.619 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001454270848 1066262402 /nfs/dbraw/zinc/26/24/02/1066262402.db2.gz RWNYRSSEPZJUOG-IFMALSPDSA-N 0 0 457.615 4.755 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)n1 ZINC001361039764 1066262455 /nfs/dbraw/zinc/26/24/55/1066262455.db2.gz TYKQZTGSVUXBTE-FCHUYYIVSA-N 0 0 468.671 4.708 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3OC)nnc2N(C)CCC(F)(F)F)O1 ZINC001546059279 1066263128 /nfs/dbraw/zinc/26/31/28/1066263128.db2.gz HOUOBFDEOJBZTK-IIBYNOLFSA-N 0 0 456.509 4.602 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361039907 1066263123 /nfs/dbraw/zinc/26/31/23/1066263123.db2.gz ZAAXSRMGSQHXHP-VAMGGRTRSA-N 0 0 489.686 4.717 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N(C)CCC(F)(F)F)O1 ZINC001546059280 1066263199 /nfs/dbraw/zinc/26/31/99/1066263199.db2.gz HOUOBFDEOJBZTK-KKSFZXQISA-N 0 0 456.509 4.602 20 0 JJADRN COC(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(OC)c1ccccc1 ZINC001454274840 1066263217 /nfs/dbraw/zinc/26/32/17/1066263217.db2.gz ICYQUQUWKXCCTN-NRFANRHFSA-N 0 0 456.583 4.541 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC(=O)c2ccc(F)cc2Cl)cc1 ZINC001454277507 1066263684 /nfs/dbraw/zinc/26/36/84/1066263684.db2.gz OLQPIGBODXGPFK-UHFFFAOYSA-N 0 0 450.901 4.502 20 0 JJADRN CC(C)Oc1ccc(F)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001443086466 1066263881 /nfs/dbraw/zinc/26/38/81/1066263881.db2.gz HLFJGWFYFKCZBV-BSIFCXSSSA-N 0 0 450.551 4.746 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001443085524 1066263922 /nfs/dbraw/zinc/26/39/22/1066263922.db2.gz AKSWSGJQXXIZDG-LLVKDONJSA-N 0 0 451.882 4.822 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001454282825 1066264205 /nfs/dbraw/zinc/26/42/05/1066264205.db2.gz UGSFYALCYLJCNE-ZIAGYGMSSA-N 0 0 480.961 4.696 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001546059333 1066264411 /nfs/dbraw/zinc/26/44/11/1066264411.db2.gz INQNCUNUJSRIIX-BYXVTNLJSA-N 0 0 460.663 4.849 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)c1 ZINC001443088045 1066264570 /nfs/dbraw/zinc/26/45/70/1066264570.db2.gz QFRCUCBWEZEVCQ-IBGZPJMESA-N 0 0 458.536 4.702 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)O1 ZINC001546059358 1066264864 /nfs/dbraw/zinc/26/48/64/1066264864.db2.gz IXMOUPMNGNBKGS-XNCCSTQDSA-N 0 0 491.677 4.702 20 0 JJADRN CN(OCC(F)(F)F)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001454284020 1066265084 /nfs/dbraw/zinc/26/50/84/1066265084.db2.gz GEOHERAMHUIMTK-UHFFFAOYSA-N 0 0 454.246 4.868 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001443091320 1066265478 /nfs/dbraw/zinc/26/54/78/1066265478.db2.gz GCHXTRREPQKBSR-FQEVSTJZSA-N 0 0 456.391 4.781 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCOc2cc(C)cc(C)c2)o1 ZINC001361042025 1066265520 /nfs/dbraw/zinc/26/55/20/1066265520.db2.gz PZHLGFYLSVBPQR-QFIPXVFZSA-N 0 0 493.652 4.919 20 0 JJADRN COc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc(Cl)c1OCC(C)C ZINC001454289706 1066265526 /nfs/dbraw/zinc/26/55/26/1066265526.db2.gz BOMWPCSAYROUMW-QAQDUYKDSA-N 0 0 454.995 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001443094343 1066265988 /nfs/dbraw/zinc/26/59/88/1066265988.db2.gz WXHVHSLKAJCORO-LRDDRELGSA-N 0 0 458.868 4.652 20 0 JJADRN CCOC(=O)[C@@]1(CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCCOC1 ZINC001454297465 1066266487 /nfs/dbraw/zinc/26/64/87/1066266487.db2.gz QCFJTVBSZOGGOS-JOCHJYFZSA-N 0 0 450.457 4.539 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cccc(Nc3nccc(C)n3)c2)c1)C(=O)C(F)(F)F ZINC001443096134 1066266824 /nfs/dbraw/zinc/26/68/24/1066266824.db2.gz OHSHIEUXJAECDM-UHFFFAOYSA-N 0 0 457.456 4.692 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(F)(F)F)c1 ZINC001361042904 1066267265 /nfs/dbraw/zinc/26/72/65/1066267265.db2.gz UYJWZMQUKFAJLW-RTBURBONSA-N 0 0 454.537 4.891 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC2)c1 ZINC001361042981 1066267524 /nfs/dbraw/zinc/26/75/24/1066267524.db2.gz XDTWIZRXKRGWTD-OYRHEFFESA-N 0 0 469.630 4.591 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC001361043775 1066268176 /nfs/dbraw/zinc/26/81/76/1066268176.db2.gz JJLLVFPMWXTSQX-UHFFFAOYSA-N 0 0 456.539 4.702 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccn2)c1 ZINC001361043057 1066268189 /nfs/dbraw/zinc/26/81/89/1066268189.db2.gz ZVWOUBHVVRTJKT-UHFFFAOYSA-N 0 0 462.985 4.645 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)C(F)(F)C3(O)CCCCC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001443100793 1066268241 /nfs/dbraw/zinc/26/82/41/1066268241.db2.gz JZVHSJOUIQGQPC-KBPBESRZSA-N 0 0 450.448 4.588 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2cccnc2)C(C)C)c2ccccc2n1 ZINC001361044963 1066268641 /nfs/dbraw/zinc/26/86/41/1066268641.db2.gz JMHBHXOLHDPFIN-XMMPIXPASA-N 0 0 499.663 4.987 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCC1(c2ccc(Cl)cc2)CC1 ZINC001443103074 1066268894 /nfs/dbraw/zinc/26/88/94/1066268894.db2.gz LPXPNLDBFKRMJZ-FQEVSTJZSA-N 0 0 454.901 4.938 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001545954489 1066269595 /nfs/dbraw/zinc/26/95/95/1066269595.db2.gz FRMLBFAKGSGSBR-VXKWHMMOSA-N 0 0 468.671 4.645 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545954520 1066269674 /nfs/dbraw/zinc/26/96/74/1066269674.db2.gz GGINKXZPUIGBJT-BHDDXSALSA-N 0 0 471.646 4.739 20 0 JJADRN CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[C@H]1C ZINC001443113930 1066270037 /nfs/dbraw/zinc/27/00/37/1066270037.db2.gz YJSXJTXNSJAIQN-IWQHBPENSA-N 0 0 456.656 4.763 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545954522 1066270305 /nfs/dbraw/zinc/27/03/05/1066270305.db2.gz GGINKXZPUIGBJT-YPAWHYETSA-N 0 0 471.646 4.739 20 0 JJADRN CCOC(=O)[C@H]1CN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CCC1(F)F ZINC001454328813 1066270851 /nfs/dbraw/zinc/27/08/51/1066270851.db2.gz MDAOFXCKBDJAHI-VQIMIIECSA-N 0 0 455.860 4.646 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N(C)Cc3cnn(Cc4ccccc4)c3)nnc2C(C)(C)C)O1 ZINC001546059889 1066271078 /nfs/dbraw/zinc/27/10/78/1066271078.db2.gz SFRNDCQHCUXBSN-GJZUVCINSA-N 0 0 450.631 4.805 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545954605 1066271057 /nfs/dbraw/zinc/27/10/57/1066271057.db2.gz HPQNZQKYOZQJMN-VSKRKVRLSA-N 0 0 471.646 4.739 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)C[C@H](C)C2)O1 ZINC001546059907 1066271154 /nfs/dbraw/zinc/27/11/54/1066271154.db2.gz SLBZSGNDMHGQKY-JBBOWGOSSA-N 0 0 475.678 4.879 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)C[C@H](C)C2)O1 ZINC001546059908 1066271172 /nfs/dbraw/zinc/27/11/72/1066271172.db2.gz SLBZSGNDMHGQKY-YLLGDHQJSA-N 0 0 475.678 4.879 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 ZINC001361045624 1066271256 /nfs/dbraw/zinc/27/12/56/1066271256.db2.gz DNRMUFFAZPBRTE-YADARESESA-N 0 0 492.668 4.748 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)O1 ZINC001546060017 1066271869 /nfs/dbraw/zinc/27/18/69/1066271869.db2.gz UIFWOGPBDLGDLJ-JJRVBVJISA-N 0 0 470.458 4.798 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@H](CCCO)c3ccccc3)cc2C(F)(F)F)CC1 ZINC001443126314 1066271617 /nfs/dbraw/zinc/27/16/17/1066271617.db2.gz ULPVJKNINSUDEE-HXUWFJFHSA-N 0 0 450.501 4.815 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)s1 ZINC001443126630 1066271805 /nfs/dbraw/zinc/27/18/05/1066271805.db2.gz WBLHZKYRASTLBC-UHFFFAOYSA-N 0 0 459.568 4.513 20 0 JJADRN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCC1(C(F)(F)F)CCCC1 ZINC001454341518 1066272278 /nfs/dbraw/zinc/27/22/78/1066272278.db2.gz MJWXBPYVVINREP-UHFFFAOYSA-N 0 0 459.559 4.748 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCOc1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443142504 1066273175 /nfs/dbraw/zinc/27/31/75/1066273175.db2.gz RXHAQFAKCCZENQ-HOYKHHGWSA-N 0 0 458.002 4.879 20 0 JJADRN C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152708 1066274376 /nfs/dbraw/zinc/27/43/76/1066274376.db2.gz CFVJUGQOZGONHQ-KRWDZBQOSA-N 0 0 457.405 4.829 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CC(F)(F)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361046210 1066275042 /nfs/dbraw/zinc/27/50/42/1066275042.db2.gz YZUXKJUOQWGWMN-UHFFFAOYSA-N 0 0 470.568 4.588 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2CCCN2CCCCC2=O)c2ccccc2n1 ZINC001361046209 1066275110 /nfs/dbraw/zinc/27/51/10/1066275110.db2.gz YZDYKURXPFRRCU-UHFFFAOYSA-N 0 0 474.531 4.593 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cc(F)ccc1Br ZINC001361046309 1066275174 /nfs/dbraw/zinc/27/51/74/1066275174.db2.gz BSXVDRXQQIGLAY-KBXCAEBGSA-N 0 0 457.384 4.815 20 0 JJADRN Cn1c(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454359951 1066275300 /nfs/dbraw/zinc/27/53/00/1066275300.db2.gz DYLMNGWXPUBGLQ-DENIHFKCSA-N 0 0 453.583 4.823 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1 ZINC001361046927 1066276369 /nfs/dbraw/zinc/27/63/69/1066276369.db2.gz PGKLVNFNGJIJJF-IRXDYDNUSA-N 0 0 454.548 4.928 20 0 JJADRN CC(=O)Oc1ccc(NC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c2ccccc12 ZINC001454381316 1066276603 /nfs/dbraw/zinc/27/66/03/1066276603.db2.gz PGRPDGXXJGWCJC-UHFFFAOYSA-N 0 0 459.546 4.668 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3nc4cc(C)ccc4s3)c2)cc1 ZINC001454386321 1066276802 /nfs/dbraw/zinc/27/68/02/1066276802.db2.gz GDZFHEWTWGDKCO-UHFFFAOYSA-N 0 0 451.573 4.644 20 0 JJADRN Cc1cc(=O)c(C(=O)Oc2ccc(-c3cscn3)cc2)nn1-c1ccccc1C(F)(F)F ZINC001361048110 1066277072 /nfs/dbraw/zinc/27/70/72/1066277072.db2.gz QIDXCVHYGMMUOZ-UHFFFAOYSA-N 0 0 457.433 4.902 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)N1CC(Cc2cccc(Br)c2)C1 ZINC001454403924 1066278440 /nfs/dbraw/zinc/27/84/40/1066278440.db2.gz NANWMRCULUFBEB-UHFFFAOYSA-N 0 0 455.165 4.984 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c1 ZINC001443204208 1066279062 /nfs/dbraw/zinc/27/90/62/1066279062.db2.gz LPZDFHCLYUWXDB-UHFFFAOYSA-N 0 0 454.596 4.882 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCc4ccccc43)c2)cc1 ZINC001443207191 1066279592 /nfs/dbraw/zinc/27/95/92/1066279592.db2.gz TWGCKTNTJKKJTP-UHFFFAOYSA-N 0 0 450.560 4.788 20 0 JJADRN COc1ccc2ccccc2c1CN(C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CCCC1 ZINC001443208815 1066279720 /nfs/dbraw/zinc/27/97/20/1066279720.db2.gz VTUJRXDZBKFNFT-HSZRJFAPSA-N 0 0 452.551 4.606 20 0 JJADRN C[C@@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443211914 1066280148 /nfs/dbraw/zinc/28/01/48/1066280148.db2.gz GJGVTRGGSAJOLV-CQSZACIVSA-N 0 0 454.885 4.880 20 0 JJADRN C/C=C\C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 ZINC001454411425 1066280219 /nfs/dbraw/zinc/28/02/19/1066280219.db2.gz MFKRPNNCAHMCAB-HMECNJMJSA-N 0 0 452.551 4.540 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 ZINC001443211319 1066280340 /nfs/dbraw/zinc/28/03/40/1066280340.db2.gz VCBHBDVYXWRECK-UHFFFAOYSA-N 0 0 456.340 4.694 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361049298 1066281417 /nfs/dbraw/zinc/28/14/17/1066281417.db2.gz YYGNFWLXCCGHJQ-DYLHXGEVSA-N 0 0 451.615 4.603 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cscc2C)C1 ZINC001546061452 1066281453 /nfs/dbraw/zinc/28/14/53/1066281453.db2.gz AHOCCMLPDCPDAB-HSZRJFAPSA-N 0 0 458.031 4.906 20 0 JJADRN Cc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCSC(F)(F)F)c2ccccc2n1 ZINC001361049472 1066281849 /nfs/dbraw/zinc/28/18/49/1066281849.db2.gz FKZKMQHRBCTXIF-IBGZPJMESA-N 0 0 465.545 4.916 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC(C)(F)F)c2ccccc2n1 ZINC001361049438 1066281875 /nfs/dbraw/zinc/28/18/75/1066281875.db2.gz DLPMBSYDWXVBSE-SFHVURJKSA-N 0 0 470.568 4.588 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(F)(F)CC3)n2CCCOC(F)(F)F)c2ccccc2n1 ZINC001361049382 1066281955 /nfs/dbraw/zinc/28/19/55/1066281955.db2.gz BVQKQLJNSKVRCD-UHFFFAOYSA-N 0 0 455.431 4.964 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCOC(F)F)c2ccccc2n1 ZINC001361049491 1066281968 /nfs/dbraw/zinc/28/19/68/1066281968.db2.gz GECUPBKKXBNSGF-OAHLLOKOSA-N 0 0 451.468 4.913 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCCCCS(C)(=O)=O)c2ccccc2n1 ZINC001361049461 1066282072 /nfs/dbraw/zinc/28/20/72/1066282072.db2.gz FCWIWVQXQBWFSV-QHCPKHFHSA-N 0 0 469.655 4.641 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3cc(Cl)ccc3s2)C1 ZINC001546061692 1066282109 /nfs/dbraw/zinc/28/21/09/1066282109.db2.gz DQOLKAODUHUZRQ-OYHNWAKOSA-N 0 0 464.035 4.940 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(CC)C1)OC ZINC001546061756 1066282951 /nfs/dbraw/zinc/28/29/51/1066282951.db2.gz FLCBPTHSPIYATL-QHCPKHFHSA-N 0 0 462.038 4.693 20 0 JJADRN CCn1c(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)nc2ccccc21 ZINC001443222806 1066282987 /nfs/dbraw/zinc/28/29/87/1066282987.db2.gz CLJPPUZURIKPEP-NRFANRHFSA-N 0 0 456.974 4.634 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2ccc(Cl)cc2Cl)c1C ZINC001443244557 1066283366 /nfs/dbraw/zinc/28/33/66/1066283366.db2.gz ACHUJPUYRSIJSN-SFHVURJKSA-N 0 0 453.391 4.919 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC001443246078 1066283711 /nfs/dbraw/zinc/28/37/11/1066283711.db2.gz PMFGCLOBBCEMKH-UHFFFAOYSA-N 0 0 455.352 4.845 20 0 JJADRN Cc1cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361049982 1066283786 /nfs/dbraw/zinc/28/37/86/1066283786.db2.gz RKFPQWITCFVINY-INIZCTEOSA-N 0 0 495.521 4.722 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001454457626 1066284190 /nfs/dbraw/zinc/28/41/90/1066284190.db2.gz WLYKFFMEYZMFCH-NTCAYCPXSA-N 0 0 454.876 4.692 20 0 JJADRN O=C(Nc1sccc1C(=O)NCCCCc1nc(-c2cccnc2)cs1)c1ccco1 ZINC001443252498 1066284357 /nfs/dbraw/zinc/28/43/57/1066284357.db2.gz KXIZXFQYSPKADY-UHFFFAOYSA-N 0 0 452.561 4.865 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCCCCc2nc(-c3cccnc3)cs2)CCN1C(=O)OC(C)(C)C ZINC001443254214 1066284400 /nfs/dbraw/zinc/28/44/00/1066284400.db2.gz OCBMQOQERLUFPG-QZTJIDSGSA-N 0 0 458.628 4.680 20 0 JJADRN Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050002 1066284424 /nfs/dbraw/zinc/28/44/24/1066284424.db2.gz RMVDUBOYIPLRPL-IBGZPJMESA-N 0 0 494.640 4.531 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCCCc2nc(-c3cccnc3)cs2)C1 ZINC001443258133 1066285093 /nfs/dbraw/zinc/28/50/93/1066285093.db2.gz ZDIBHGMFLJSKLT-XLIONFOSSA-N 0 0 458.628 4.680 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051538 1066286328 /nfs/dbraw/zinc/28/63/28/1066286328.db2.gz VEZREOHXOGHBOF-GAJHUEQPSA-N 0 0 457.979 4.725 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC001361051585 1066286365 /nfs/dbraw/zinc/28/63/65/1066286365.db2.gz WBTLEXGMTOZNME-IUGBQFMMSA-N 0 0 457.574 4.630 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001454465714 1066286631 /nfs/dbraw/zinc/28/66/31/1066286631.db2.gz KKLMEGFADYAUJT-UHFFFAOYSA-N 0 0 450.739 4.681 20 0 JJADRN CC1(Nc2nc(CC(=O)N3CCc4cc(F)cc(Br)c4C3)cs2)CCCC1 ZINC001454466816 1066287204 /nfs/dbraw/zinc/28/72/04/1066287204.db2.gz AAGJTBFWRIGNJD-UHFFFAOYSA-N 0 0 452.393 4.917 20 0 JJADRN Cc1cc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361051818 1066287189 /nfs/dbraw/zinc/28/71/89/1066287189.db2.gz BHEJVVSBQUCDSG-SJORKVTESA-N 0 0 478.588 4.626 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H]1C ZINC001361052661 1066287620 /nfs/dbraw/zinc/28/76/20/1066287620.db2.gz MCZNNPLUURUUSD-SAHWJRBASA-N 0 0 455.965 4.851 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(F)(F)F)no1 ZINC001361052687 1066287664 /nfs/dbraw/zinc/28/76/64/1066287664.db2.gz WBYUBMQXQLNESX-UHFFFAOYSA-N 0 0 464.492 4.669 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC2CCCC2)C1 ZINC001546061982 1066287784 /nfs/dbraw/zinc/28/77/84/1066287784.db2.gz IHHTUYXEJPZABJ-VWLOTQADSA-N 0 0 474.049 4.837 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361052215 1066287851 /nfs/dbraw/zinc/28/78/51/1066287851.db2.gz MVLJRGMDPCBHJR-UQBPGWFLSA-N 0 0 453.656 4.931 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(OC(F)F)c1)OC ZINC001545956388 1066287897 /nfs/dbraw/zinc/28/78/97/1066287897.db2.gz BTHLHSFYBJHGFV-HNNXBMFYSA-N 0 0 484.345 4.699 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc4c([nH]3)c(C)ccc4Br)CC2)cc1 ZINC001454471271 1066288100 /nfs/dbraw/zinc/28/81/00/1066288100.db2.gz YGIUKXDYAAJSNF-UHFFFAOYSA-N 0 0 454.368 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)c3cc4cc(F)ccc4s3)c2)CC1 ZINC001454469531 1066288109 /nfs/dbraw/zinc/28/81/09/1066288109.db2.gz SWIUBMQNKNOGLE-UHFFFAOYSA-N 0 0 456.543 4.745 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)cc1F ZINC001454472682 1066288563 /nfs/dbraw/zinc/28/85/63/1066288563.db2.gz ZQRIDBZLLVZZDJ-GOEBONIOSA-N 0 0 451.325 4.510 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3F)n[nH]2)c(OC)c1 ZINC001443272986 1066288677 /nfs/dbraw/zinc/28/86/77/1066288677.db2.gz RWXSUGNLULPYMZ-UHFFFAOYSA-N 0 0 456.474 4.832 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001443270021 1066288744 /nfs/dbraw/zinc/28/87/44/1066288744.db2.gz ZATKKKONTLRCPI-NRFANRHFSA-N 0 0 459.537 4.811 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3(c4ccccc4)CCC3)n2CCCN(C)C(=O)OC(C)(C)C)no1 ZINC001361053380 1066288936 /nfs/dbraw/zinc/28/89/36/1066288936.db2.gz GUMHUFZVJLKAPP-UHFFFAOYSA-N 0 0 494.640 4.938 20 0 JJADRN CC[C@@H](C(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)N(C)C(=O)OC(C)(C)C ZINC001443281806 1066289195 /nfs/dbraw/zinc/28/91/95/1066289195.db2.gz BRSDBFPFHZCCIO-QHCPKHFHSA-N 0 0 456.583 4.878 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)no1 ZINC001361053803 1066289561 /nfs/dbraw/zinc/28/95/61/1066289561.db2.gz RWZIQGGEOUJYBP-MRXNPFEDSA-N 0 0 486.935 4.617 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)ccc1Br ZINC001454477706 1066289746 /nfs/dbraw/zinc/28/97/46/1066289746.db2.gz WMOBFUDEZMPKMS-CGTJXYLNSA-N 0 0 451.405 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3c[nH]nc3-c3ccccc3Cl)C(C)(C)[C@H]21 ZINC001454478711 1066289933 /nfs/dbraw/zinc/28/99/33/1066289933.db2.gz YCNDFIBNZRQHNC-XPGWFJOJSA-N 0 0 458.990 4.884 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001443287326 1066289880 /nfs/dbraw/zinc/28/98/80/1066289880.db2.gz VPNLTDHZCMVACC-QHCPKHFHSA-N 0 0 459.464 4.985 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H](C)n2ccc3ccccc3c2=O)cc1 ZINC001443287074 1066289895 /nfs/dbraw/zinc/28/98/95/1066289895.db2.gz UJGDSDVBYXQLNV-HXUWFJFHSA-N 0 0 456.542 4.809 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCO[C@@H](C)C2)no1 ZINC001361054729 1066290723 /nfs/dbraw/zinc/29/07/23/1066290723.db2.gz DAZOYFIDUCIUKH-DOTOQJQBSA-N 0 0 474.403 4.846 20 0 JJADRN CO[C@@H](C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC001454486188 1066291162 /nfs/dbraw/zinc/29/11/62/1066291162.db2.gz AKDQFWRBBJGFQY-IUODEOHRSA-N 0 0 453.185 4.745 20 0 JJADRN CO[C@@H](C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC001454486191 1066291549 /nfs/dbraw/zinc/29/15/49/1066291549.db2.gz AKDQFWRBBJGFQY-SWLSCSKDSA-N 0 0 453.185 4.745 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2C)C1)OC ZINC001545956791 1066291926 /nfs/dbraw/zinc/29/19/26/1066291926.db2.gz JDJXBNUONPXUMC-IEBWSBKVSA-N 0 0 472.431 4.773 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)N1CC(Cc2ccccc2Br)C1 ZINC001454490797 1066291972 /nfs/dbraw/zinc/29/19/72/1066291972.db2.gz BDQOYFJXGXDWKQ-UHFFFAOYSA-N 0 0 450.380 4.552 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2C[C@H](C)O[C@@H](C)C2)no1 ZINC001361054922 1066291914 /nfs/dbraw/zinc/29/19/14/1066291914.db2.gz KVMHEIDUBHUQPT-STQMWFEESA-N 0 0 480.432 4.906 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361054912 1066291968 /nfs/dbraw/zinc/29/19/68/1066291968.db2.gz KNXJRFSRZVPPPH-HKUYNNGSSA-N 0 0 472.431 4.664 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(F)(F)C2)no1 ZINC001361055013 1066292754 /nfs/dbraw/zinc/29/27/54/1066292754.db2.gz OTTGKOBZLKVPMZ-AWEZNQCLSA-N 0 0 453.440 4.915 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361055046 1066292780 /nfs/dbraw/zinc/29/27/80/1066292780.db2.gz POQHEJUXQXAEMR-PKOBYXMFSA-N 0 0 458.404 4.532 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454492644 1066292641 /nfs/dbraw/zinc/29/26/41/1066292641.db2.gz SBERROHLKPGVNH-TZIWHRDSSA-N 0 0 475.383 4.673 20 0 JJADRN Cc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)[nH]nc1C(F)(F)F ZINC001443304258 1066293072 /nfs/dbraw/zinc/29/30/72/1066293072.db2.gz OREIWWPIHKGFGT-UHFFFAOYSA-N 0 0 457.456 4.888 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001546062168 1066293257 /nfs/dbraw/zinc/29/32/57/1066293257.db2.gz LXMYVKULPNUUSU-WZONZLPQSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc4ccccc4o3)n2CCCN(C)CC(F)(F)F)no1 ZINC001361055172 1066293307 /nfs/dbraw/zinc/29/33/07/1066293307.db2.gz TUHYVIVUSSYJMZ-UHFFFAOYSA-N 0 0 462.476 4.508 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454499685 1066293854 /nfs/dbraw/zinc/29/38/54/1066293854.db2.gz VYHQKTLHPNDTAF-ANTGDGSKSA-N 0 0 479.212 4.824 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCCC2)no1 ZINC001361055509 1066293939 /nfs/dbraw/zinc/29/39/39/1066293939.db2.gz XRUYYCIKBCVGEI-UHFFFAOYSA-N 0 0 474.403 4.726 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(Cl)ccc2C1)OC ZINC001545956863 1066293958 /nfs/dbraw/zinc/29/39/58/1066293958.db2.gz KFOCOMLSELGBIU-SFHVURJKSA-N 0 0 478.822 4.687 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cnc3onc(C)c3c2)cc1 ZINC001361055862 1066294351 /nfs/dbraw/zinc/29/43/51/1066294351.db2.gz UIPWPEKQUSHLRC-UHFFFAOYSA-N 0 0 453.545 4.728 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2([S@@](C)=O)CC2)c1 ZINC001361055516 1066294387 /nfs/dbraw/zinc/29/43/87/1066294387.db2.gz XZQDJSIWPUUCDR-MUUNZHRXSA-N 0 0 479.469 4.625 20 0 JJADRN C[C@]1(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC(c2cccc(Cl)c2F)=NO1 ZINC001454503747 1066294618 /nfs/dbraw/zinc/29/46/18/1066294618.db2.gz ZBFORWNPCPSJGF-OAQYLSRUSA-N 0 0 452.288 4.995 20 0 JJADRN O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)c1cc2c(cc1O)OCO2 ZINC001443311055 1066294517 /nfs/dbraw/zinc/29/45/17/1066294517.db2.gz MTRIXSOQMYYLCC-UHFFFAOYSA-N 0 0 457.935 4.875 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C)OC ZINC001545956891 1066294614 /nfs/dbraw/zinc/29/46/14/1066294614.db2.gz KRNDLFQAJMRWIS-IMFGXOCKSA-N 0 0 472.431 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3ccc(Br)c(F)c3F)CCC[C@H]12 ZINC001454512527 1066295239 /nfs/dbraw/zinc/29/52/39/1066295239.db2.gz FXFRXCGTFRNFFF-VBKZILBWSA-N 0 0 459.331 4.523 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 ZINC001454521262 1066295945 /nfs/dbraw/zinc/29/59/45/1066295945.db2.gz FIYRJOGWLFHZCF-VQTJNVASSA-N 0 0 468.351 4.780 20 0 JJADRN C=CC(=O)N1CCC(C(=O)NCCc2nc(C3CCCCC3)cs2)(c2ccccc2)CC1 ZINC001443332406 1066295761 /nfs/dbraw/zinc/29/57/61/1066295761.db2.gz HFHMXYIPSNPUNW-UHFFFAOYSA-N 0 0 451.636 4.596 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC(F)(F)F)cc2)no1 ZINC001361056385 1066296297 /nfs/dbraw/zinc/29/62/97/1066296297.db2.gz NXVKEXTYOHOPNQ-UHFFFAOYSA-N 0 0 492.889 4.916 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1ccc(Cl)cc1F ZINC001454535328 1066296462 /nfs/dbraw/zinc/29/64/62/1066296462.db2.gz ACBLGOQGCNSXHB-UHFFFAOYSA-N 0 0 454.601 4.753 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443338628 1066296643 /nfs/dbraw/zinc/29/66/43/1066296643.db2.gz UDNYTNFELQXNGS-NRFANRHFSA-N 0 0 455.624 4.553 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Br)n2CC[C@@H]2CCCCO2)no1 ZINC001361056311 1066296494 /nfs/dbraw/zinc/29/64/94/1066296494.db2.gz LOKGBWIYNVPCBH-KRWDZBQOSA-N 0 0 460.376 4.600 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001443342337 1066297097 /nfs/dbraw/zinc/29/70/97/1066297097.db2.gz KDVNGULOVVEZPT-HXUWFJFHSA-N 0 0 452.551 4.721 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[C@@H](F)C2)no1 ZINC001361056669 1066297095 /nfs/dbraw/zinc/29/70/95/1066297095.db2.gz YKTHRJNNBRNAAZ-UONOGXRCSA-N 0 0 466.330 4.918 20 0 JJADRN Cn1c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443338829 1066297328 /nfs/dbraw/zinc/29/73/28/1066297328.db2.gz UWZUIEYFYQORKU-IBGZPJMESA-N 0 0 450.543 4.525 20 0 JJADRN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C ZINC001443350210 1066298300 /nfs/dbraw/zinc/29/83/00/1066298300.db2.gz XRECDROLRYDGDV-KRWDZBQOSA-N 0 0 454.910 4.796 20 0 JJADRN COC(=O)CCN(C(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC001361058497 1066298489 /nfs/dbraw/zinc/29/84/89/1066298489.db2.gz GFIYOVLLKBQQDH-NRFANRHFSA-N 0 0 456.514 4.604 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361059478 1066298853 /nfs/dbraw/zinc/29/88/53/1066298853.db2.gz BRMAGCLRYKHUNK-QFIPXVFZSA-N 0 0 465.598 4.979 20 0 JJADRN C[C@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CN1C(=O)OC(C)(C)C ZINC001454547918 1066299847 /nfs/dbraw/zinc/29/98/47/1066299847.db2.gz JZHMDOQPYONUGZ-JXFKEZNVSA-N 0 0 451.567 4.706 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)ccc1OCc1ccccc1Cl ZINC001454550742 1066300064 /nfs/dbraw/zinc/30/00/64/1066300064.db2.gz YRGMVCWLELYOGW-HXUWFJFHSA-N 0 0 456.970 4.545 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)no1 ZINC001361060428 1066300299 /nfs/dbraw/zinc/30/02/99/1066300299.db2.gz NWDLOLLYULRRPJ-QFBILLFUSA-N 0 0 478.366 4.578 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)CC1CC1 ZINC001443357644 1066300469 /nfs/dbraw/zinc/30/04/69/1066300469.db2.gz LWHXKBWLIFPDCY-UHFFFAOYSA-N 0 0 455.483 4.594 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(F)(F)F ZINC001361060495 1066300363 /nfs/dbraw/zinc/30/03/63/1066300363.db2.gz YBKGOSUFYHZZEI-OAQYLSRUSA-N 0 0 456.424 4.527 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C(C)C)c1 ZINC001361060847 1066300753 /nfs/dbraw/zinc/30/07/53/1066300753.db2.gz XFIXZPRLCKWCTC-CUNXSJBXSA-N 0 0 485.673 4.744 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357455 1066300660 /nfs/dbraw/zinc/30/06/60/1066300660.db2.gz OJTDKHSNFRZRKG-RTWAWAEBSA-N 0 0 450.023 4.504 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cccn2)c1 ZINC001361060817 1066300861 /nfs/dbraw/zinc/30/08/61/1066300861.db2.gz WJVSJKYOBYSOKD-QHCPKHFHSA-N 0 0 493.656 4.624 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001454554224 1066300925 /nfs/dbraw/zinc/30/09/25/1066300925.db2.gz DRRWUNBCZYWPJR-UHFFFAOYSA-N 0 0 454.448 4.812 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)c1 ZINC001361061523 1066301264 /nfs/dbraw/zinc/30/12/64/1066301264.db2.gz NMNCTOUPGRYTMJ-HXUWFJFHSA-N 0 0 491.583 4.577 20 0 JJADRN CCOCCO[C@H]1CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)C1 ZINC001546063165 1066301465 /nfs/dbraw/zinc/30/14/65/1066301465.db2.gz ICPFYBAFBGVCEY-IBGZPJMESA-N 0 0 456.970 4.641 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(F)(F)F)cc2)no1 ZINC001361063606 1066302760 /nfs/dbraw/zinc/30/27/60/1066302760.db2.gz MSZFGPRJYBBVCY-UHFFFAOYSA-N 0 0 462.501 4.634 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C)c3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001361063659 1066302937 /nfs/dbraw/zinc/30/29/37/1066302937.db2.gz NUBJSYSUZWROPN-UHFFFAOYSA-N 0 0 492.615 4.853 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)n2)c(C)c1 ZINC001443371125 1066302909 /nfs/dbraw/zinc/30/29/09/1066302909.db2.gz MPMDSTHBZVPLQT-WJOKGBTCSA-N 0 0 456.589 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(NC(=O)c3ccco3)c2)CC(C)(C)C1 ZINC001454574055 1066302946 /nfs/dbraw/zinc/30/29/46/1066302946.db2.gz BLHARAUUBOBKFR-IBGZPJMESA-N 0 0 455.555 4.687 20 0 JJADRN Cn1c(CCNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)nc2c1cccc2F ZINC001443372115 1066303162 /nfs/dbraw/zinc/30/31/62/1066303162.db2.gz YXDUAMAVMHESHU-UHFFFAOYSA-N 0 0 457.431 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC001443379539 1066303337 /nfs/dbraw/zinc/30/33/37/1066303337.db2.gz MBEBVSLHCXUSAZ-IBGZPJMESA-N 0 0 451.007 4.540 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2nnc(C)s2)no1 ZINC001361064555 1066303789 /nfs/dbraw/zinc/30/37/89/1066303789.db2.gz JGYRCRWMBBBEAO-UHFFFAOYSA-N 0 0 495.653 4.880 20 0 JJADRN CN(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1c(F)cccc1Cl ZINC001454577067 1066303670 /nfs/dbraw/zinc/30/36/70/1066303670.db2.gz HOIWJESSVAFQIK-DNVCBOLYSA-N 0 0 456.002 4.624 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)Nc1ccc(OC)cc1C(=O)OC)OCC3 ZINC001443385199 1066304112 /nfs/dbraw/zinc/30/41/12/1066304112.db2.gz JANWZTYNJZOEOW-SANMLTNESA-N 0 0 450.535 4.732 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2ncccc2C)no1 ZINC001361064831 1066304318 /nfs/dbraw/zinc/30/43/18/1066304318.db2.gz UGMXTSXAFWNIHJ-UHFFFAOYSA-N 0 0 481.000 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)CCC[C@H]12 ZINC001454579960 1066304441 /nfs/dbraw/zinc/30/44/41/1066304441.db2.gz OVHGSAHIUUEKCB-UYXZNNOOSA-N 0 0 479.662 4.708 20 0 JJADRN CSCCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC001454580892 1066304479 /nfs/dbraw/zinc/30/44/79/1066304479.db2.gz ARFKVAVVSKUTHJ-UHFFFAOYSA-N 0 0 454.617 4.631 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cc1C ZINC001443388745 1066304595 /nfs/dbraw/zinc/30/45/95/1066304595.db2.gz NUJZSKVVTFNXDL-HXUWFJFHSA-N 0 0 455.555 4.835 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001443388076 1066304705 /nfs/dbraw/zinc/30/47/05/1066304705.db2.gz ZZIJHVMOJVHIKX-UHFFFAOYSA-N 0 0 456.564 4.681 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)N[C@H](c3ccccc3Cl)c3ccccc3OC)C2)c1 ZINC001361065296 1066304861 /nfs/dbraw/zinc/30/48/61/1066304861.db2.gz NKHHTXVLLUVAJI-BJKOFHAPSA-N 0 0 450.922 4.756 20 0 JJADRN Cc1cccc(OC(F)F)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001361065995 1066305136 /nfs/dbraw/zinc/30/51/36/1066305136.db2.gz OBANOJCTQUEJCI-UHFFFAOYSA-N 0 0 457.662 4.845 20 0 JJADRN Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)c21 ZINC001443396491 1066305176 /nfs/dbraw/zinc/30/51/76/1066305176.db2.gz ZANZBBRJYIACNT-MHECFPHRSA-N 0 0 455.961 4.926 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCC(n2cc(Br)cn2)CC1 ZINC001443393637 1066305216 /nfs/dbraw/zinc/30/52/16/1066305216.db2.gz RBEJODADCVEGCK-UHFFFAOYSA-N 0 0 453.312 4.525 20 0 JJADRN CC(C)Cc1ncc(C(=O)Nc2cc(Br)ccc2Sc2nncn2C)s1 ZINC001361065951 1066305312 /nfs/dbraw/zinc/30/53/12/1066305312.db2.gz LTKISRKTQPYTSV-UHFFFAOYSA-N 0 0 452.403 4.636 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CCCCC2)no1 ZINC001361066321 1066305656 /nfs/dbraw/zinc/30/56/56/1066305656.db2.gz HWIDTTNRVYWDJN-FQEVSTJZSA-N 0 0 458.607 4.863 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454589681 1066305999 /nfs/dbraw/zinc/30/59/99/1066305999.db2.gz RORNKZQBVBCVIA-SWLSCSKDSA-N 0 0 455.502 4.957 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361066707 1066306557 /nfs/dbraw/zinc/30/65/57/1066306557.db2.gz PEOLDWBWWDXAHK-FDDCHVKYSA-N 0 0 471.577 4.770 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C(C)C)cs2)no1 ZINC001361066811 1066306916 /nfs/dbraw/zinc/30/69/16/1066306916.db2.gz TZIDOZWNBRUVJM-YLJYHZDGSA-N 0 0 458.632 4.758 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)no1 ZINC001361066897 1066307286 /nfs/dbraw/zinc/30/72/86/1066307286.db2.gz XGHURJIJTPXHKC-VGSWGCGISA-N 0 0 459.978 4.504 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)no1 ZINC001361066896 1066307561 /nfs/dbraw/zinc/30/75/61/1066307561.db2.gz XGHURJIJTPXHKC-VGOFRKELSA-N 0 0 459.978 4.504 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545958303 1066307769 /nfs/dbraw/zinc/30/77/69/1066307769.db2.gz ASMWVGBVBSESKO-QUCCMNQESA-N 0 0 457.619 4.883 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)C12CCCCC2 ZINC001361067782 1066308035 /nfs/dbraw/zinc/30/80/35/1066308035.db2.gz BXUBOKUTVBZPHU-LEWJYISDSA-N 0 0 456.656 4.952 20 0 JJADRN Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)ccc1F ZINC001361067077 1066308121 /nfs/dbraw/zinc/30/81/21/1066308121.db2.gz DHWOVDAXUHGLPP-UHFFFAOYSA-N 0 0 476.478 4.590 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CCC(C)C)C1 ZINC001546063698 1066308527 /nfs/dbraw/zinc/30/85/27/1066308527.db2.gz AUIXIPJYAGKGGX-SFTDATJTSA-N 0 0 452.441 4.849 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)C12CCCCC2 ZINC001361069169 1066308720 /nfs/dbraw/zinc/30/87/20/1066308720.db2.gz QETBZEOXMDCECI-FCHUYYIVSA-N 0 0 458.624 4.956 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)C12CCCCC2 ZINC001361069170 1066308778 /nfs/dbraw/zinc/30/87/78/1066308778.db2.gz QETBZEOXMDCECI-FGZHOGPDSA-N 0 0 458.624 4.956 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)OC ZINC001545958357 1066309120 /nfs/dbraw/zinc/30/91/20/1066309120.db2.gz BKXMEESJTWRRHQ-QAPCUYQASA-N 0 0 462.367 4.594 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)OC ZINC001545958356 1066309202 /nfs/dbraw/zinc/30/92/02/1066309202.db2.gz BKXMEESJTWRRHQ-MAUKXSAKSA-N 0 0 462.367 4.594 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnn3ccc(C)cc23)c2ccccc2)cc1Br ZINC001443418475 1066309680 /nfs/dbraw/zinc/30/96/80/1066309680.db2.gz VAQXGNPDKKQDBG-QFIPXVFZSA-N 0 0 450.336 4.933 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 ZINC001492597845 1066309629 /nfs/dbraw/zinc/30/96/29/1066309629.db2.gz CLDUWLRAFWVVHG-VWLOTQADSA-N 0 0 451.640 4.763 20 0 JJADRN CSC1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC001454611124 1066309854 /nfs/dbraw/zinc/30/98/54/1066309854.db2.gz BHLCJKIJDWDRIB-UHFFFAOYSA-N 0 0 451.361 4.808 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC001454610611 1066309905 /nfs/dbraw/zinc/30/99/05/1066309905.db2.gz XOSMTYCQRCXRGW-IBGZPJMESA-N 0 0 454.571 4.610 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccsc1)OC ZINC001545958412 1066310146 /nfs/dbraw/zinc/31/01/46/1066310146.db2.gz CFQKGJXMWKLYRJ-WBVHZDCISA-N 0 0 450.406 4.864 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001454626353 1066310810 /nfs/dbraw/zinc/31/08/10/1066310810.db2.gz OBCPDQJACSAZCS-NMWGTECJSA-N 0 0 450.579 4.966 20 0 JJADRN CN1CCN([C@@H](CNC(=O)c2ccc(SCc3ccccc3)cc2)c2cccs2)CC1 ZINC001443437510 1066311237 /nfs/dbraw/zinc/31/12/37/1066311237.db2.gz YTQYBIDKNLOQOL-QHCPKHFHSA-N 0 0 451.661 4.759 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545958529 1066311412 /nfs/dbraw/zinc/31/14/12/1066311412.db2.gz FYIRLDFVCUIHNP-FYYLOGMGSA-N 0 0 499.656 4.652 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cnn(C)c2)ccc1F ZINC001361071217 1066311356 /nfs/dbraw/zinc/31/13/56/1066311356.db2.gz GFWWGQHULHFABE-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)on2)o1 ZINC001361071182 1066311397 /nfs/dbraw/zinc/31/13/97/1066311397.db2.gz DUNJJIDXIVJHCK-UHFFFAOYSA-N 0 0 456.344 4.899 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C1 ZINC001546063909 1066311329 /nfs/dbraw/zinc/31/13/29/1066311329.db2.gz FSAWZUIWTIXKMN-BTYIYWSLSA-N 0 0 451.384 4.900 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545958532 1066311551 /nfs/dbraw/zinc/31/15/51/1066311551.db2.gz FYIRLDFVCUIHNP-JTHBVZDNSA-N 0 0 499.656 4.652 20 0 JJADRN O=C(c1cc(I)ccc1O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001454627808 1066311900 /nfs/dbraw/zinc/31/19/00/1066311900.db2.gz WMFDMBLLOCISQO-SFHVURJKSA-N 0 0 455.295 4.811 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC(=O)NC(C)C)cs1 ZINC001361071697 1066311810 /nfs/dbraw/zinc/31/18/10/1066311810.db2.gz MVEIKQYPJQUJGY-UHFFFAOYSA-N 0 0 452.411 4.631 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)no1 ZINC001361071441 1066311902 /nfs/dbraw/zinc/31/19/02/1066311902.db2.gz KBCFDEGNUPAEBE-CYBMUJFWSA-N 0 0 489.329 4.669 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)no1 ZINC001361071522 1066312125 /nfs/dbraw/zinc/31/21/25/1066312125.db2.gz LCSGCEWJOOOGEG-QHCPKHFHSA-N 0 0 461.513 4.533 20 0 JJADRN COc1ccc2c(c1)nc(NC(=O)c1cccc(NC(=O)NC(C)C)c1)n2Cc1ccccc1 ZINC001454630160 1066312470 /nfs/dbraw/zinc/31/24/70/1066312470.db2.gz XZHDXTPAJPCPOI-UHFFFAOYSA-N 0 0 457.534 4.875 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443453280 1066313013 /nfs/dbraw/zinc/31/30/13/1066313013.db2.gz BCOFIOBBVKFZIN-MRXNPFEDSA-N 0 0 457.968 4.666 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C(C)(C)C)C2)cs1 ZINC001361072235 1066313144 /nfs/dbraw/zinc/31/31/44/1066313144.db2.gz ZBJAPGZXBWLSGD-KRWDZBQOSA-N 0 0 464.433 4.705 20 0 JJADRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001361072781 1066313350 /nfs/dbraw/zinc/31/33/50/1066313350.db2.gz PMSJAXQARBZILW-SFHVURJKSA-N 0 0 456.955 4.522 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)Cc2c[nH]c3cc(C)ccc23)cc1 ZINC001443455074 1066313401 /nfs/dbraw/zinc/31/34/01/1066313401.db2.gz VFJFCZBMBIDANA-UHFFFAOYSA-N 0 0 455.558 4.663 20 0 JJADRN Cc1cc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361073107 1066313952 /nfs/dbraw/zinc/31/39/52/1066313952.db2.gz CFPNINDVQCDLLT-UYAOXDASSA-N 0 0 480.588 4.575 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1 ZINC001443456562 1066313989 /nfs/dbraw/zinc/31/39/89/1066313989.db2.gz LOTNJVLDENWEPC-HXUWFJFHSA-N 0 0 450.558 4.673 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001443457862 1066314157 /nfs/dbraw/zinc/31/41/57/1066314157.db2.gz YTXLPCAIKDNWIL-AWEZNQCLSA-N 0 0 456.534 4.631 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c(C)coc2C)C1 ZINC001546064094 1066314075 /nfs/dbraw/zinc/31/40/75/1066314075.db2.gz IXICTBCNRFGGDY-VWLOTQADSA-N 0 0 454.571 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[C@@H](c3ccccc3)c3ccccc32)C1 ZINC001454650446 1066314321 /nfs/dbraw/zinc/31/43/21/1066314321.db2.gz NLKFRSRJBJEPKR-KDYSTLNUSA-N 0 0 450.579 4.707 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@H](C(F)(F)F)C2)no1 ZINC001361073778 1066314707 /nfs/dbraw/zinc/31/47/07/1066314707.db2.gz PGEBPICUDTZERK-ZDUSSCGKSA-N 0 0 470.293 4.831 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)Cc1ccc(O)cc1 ZINC001443460693 1066314847 /nfs/dbraw/zinc/31/48/47/1066314847.db2.gz JIUTVCFUVHIALN-HVJHFUJKSA-N 0 0 455.963 4.935 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)c3c(F)ccc(Br)c3C)c2)cn1 ZINC001361073943 1066314978 /nfs/dbraw/zinc/31/49/78/1066314978.db2.gz QIYULSDLZHAUJL-UHFFFAOYSA-N 0 0 458.287 4.805 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnn(CC)c1)NC(=O)OC(C)(C)C ZINC001545959472 1066315202 /nfs/dbraw/zinc/31/52/02/1066315202.db2.gz WOCQZRDMXBPURR-HXUWFJFHSA-N 0 0 488.036 4.755 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443473213 1066315804 /nfs/dbraw/zinc/31/58/04/1066315804.db2.gz ZRXFHFVTOWFKPK-SFHVURJKSA-N 0 0 451.939 4.605 20 0 JJADRN C[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)N1CCCC[C@H]1C ZINC001443469523 1066315867 /nfs/dbraw/zinc/31/58/67/1066315867.db2.gz VFSJIBHEIOOTAE-QZTJIDSGSA-N 0 0 450.970 4.712 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCCS2)C1 ZINC001546064170 1066315880 /nfs/dbraw/zinc/31/58/80/1066315880.db2.gz KMTDOVJCOXHBOF-UUOWRZLLSA-N 0 0 460.644 4.883 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC001454657003 1066316592 /nfs/dbraw/zinc/31/65/92/1066316592.db2.gz DHXZDYAAPNAALH-FXAWDEMLSA-N 0 0 453.384 4.776 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001454657412 1066316632 /nfs/dbraw/zinc/31/66/32/1066316632.db2.gz WBGYKHVTFLJWAS-NQSCKRDGSA-N 0 0 455.396 4.848 20 0 JJADRN CC(C)Oc1cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Br ZINC001454657246 1066316790 /nfs/dbraw/zinc/31/67/90/1066316790.db2.gz IDKQFCFXUBQUIP-UHFFFAOYSA-N 0 0 459.340 4.723 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)cs1 ZINC001361077509 1066316980 /nfs/dbraw/zinc/31/69/80/1066316980.db2.gz RPZVLLWHRAVYNG-SKINQDTJSA-N 0 0 477.650 4.995 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001454660012 1066317037 /nfs/dbraw/zinc/31/70/37/1066317037.db2.gz NFBWGFQIQNUBGI-VVFCZOMOSA-N 0 0 456.302 4.776 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454660819 1066317353 /nfs/dbraw/zinc/31/73/53/1066317353.db2.gz PWDSRQJVUHMWIK-RDJZCZTQSA-N 0 0 455.393 4.512 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2F)no1 ZINC001361077436 1066317155 /nfs/dbraw/zinc/31/71/55/1066317155.db2.gz QAKHHBQHIOZLEM-LJQANCHMSA-N 0 0 484.576 4.513 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)cs1 ZINC001361077464 1066317231 /nfs/dbraw/zinc/31/72/31/1066317231.db2.gz QQNXRSVJMGCZBJ-HKUYNNGSSA-N 0 0 477.700 4.753 20 0 JJADRN Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC(F)(F)F)CC2)no1 ZINC001361077911 1066317451 /nfs/dbraw/zinc/31/74/51/1066317451.db2.gz DXQPGETYDXZVPW-UHFFFAOYSA-N 0 0 455.431 4.661 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@@H](O)c4ccccn4)CCC[C@]3(C)[C@@H]2CC1 ZINC001454662089 1066317769 /nfs/dbraw/zinc/31/77/69/1066317769.db2.gz JGYDOFQSMWTWRZ-SEYCPEESSA-N 0 0 452.639 4.727 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCC(c4nncn4C(C)C)CC3)c2)n1 ZINC001443492343 1066317888 /nfs/dbraw/zinc/31/78/88/1066317888.db2.gz IRCKGDPDEBUXKI-UHFFFAOYSA-N 0 0 453.978 4.683 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001443493495 1066318120 /nfs/dbraw/zinc/31/81/20/1066318120.db2.gz MJWMGRUWFOBVHH-UHFFFAOYSA-N 0 0 450.768 4.776 20 0 JJADRN Cc1cc(C)nc(C2CN(C(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)C2)n1 ZINC001454669623 1066318353 /nfs/dbraw/zinc/31/83/53/1066318353.db2.gz INCQIMBHUOKHPH-NRFANRHFSA-N 0 0 452.352 4.602 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC001361078926 1066318530 /nfs/dbraw/zinc/31/85/30/1066318530.db2.gz LGEGIWQNPBUITE-HNNXBMFYSA-N 0 0 451.523 4.707 20 0 JJADRN O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cc(C(F)(F)F)ccc1Br ZINC001361079907 1066318595 /nfs/dbraw/zinc/31/85/95/1066318595.db2.gz QMJHTBQXXFDUEP-UHFFFAOYSA-N 0 0 459.193 4.938 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001443494096 1066319002 /nfs/dbraw/zinc/31/90/02/1066319002.db2.gz NVTJVILJNUDVLC-OAQYLSRUSA-N 0 0 455.603 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)/C=C\Sc3cc(F)ccc3F)sc2C1 ZINC001443494639 1066319041 /nfs/dbraw/zinc/31/90/41/1066319041.db2.gz UMJXWSDLBRPTTC-CLFYSBASSA-N 0 0 453.536 4.959 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)cs1 ZINC001361080385 1066319189 /nfs/dbraw/zinc/31/91/89/1066319189.db2.gz GXNCHAVRSGSXIM-OAQYLSRUSA-N 0 0 461.031 4.571 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NCc2ccc(C(C)(C)C)[nH]c2=O)nnc1-c1ccccc1 ZINC001454687683 1066319309 /nfs/dbraw/zinc/31/93/09/1066319309.db2.gz VCDSPAJSHVWKBY-INIZCTEOSA-N 0 0 453.612 4.723 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC2CCCCC2)ccc1F ZINC001361080739 1066319546 /nfs/dbraw/zinc/31/95/46/1066319546.db2.gz AJFNXWRTKGYWAK-UHFFFAOYSA-N 0 0 455.603 4.782 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)cs1 ZINC001361080664 1066319795 /nfs/dbraw/zinc/31/97/95/1066319795.db2.gz RLKSCIUHHFBNCN-UHFFFAOYSA-N 0 0 455.534 4.920 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccc3F)nnc2N2CCCN(CC(F)(F)F)CC2)cs1 ZINC001361080702 1066319814 /nfs/dbraw/zinc/31/98/14/1066319814.db2.gz SQZVZJYOSJIEHV-UHFFFAOYSA-N 0 0 467.536 4.501 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001361081306 1066320218 /nfs/dbraw/zinc/32/02/18/1066320218.db2.gz DWIMFUOAHYXBKZ-UHFFFAOYSA-N 0 0 456.184 4.811 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001361080955 1066320392 /nfs/dbraw/zinc/32/03/92/1066320392.db2.gz XVWHXLPTXZKLOQ-HXUWFJFHSA-N 0 0 496.681 4.765 20 0 JJADRN COc1ccccc1-c1csc(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)n1 ZINC001443503002 1066320402 /nfs/dbraw/zinc/32/04/02/1066320402.db2.gz LGOBMVQUQDDHOM-IBGZPJMESA-N 0 0 451.317 4.567 20 0 JJADRN CC(=O)NCc1ccc(-c2nc(NC(=O)c3c(C)c(=O)[nH]c4ccccc43)sc2C)s1 ZINC001443503906 1066320489 /nfs/dbraw/zinc/32/04/89/1066320489.db2.gz AEFNFZICHUOFHV-UHFFFAOYSA-N 0 0 452.561 4.631 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2)n1 ZINC001361081501 1066320591 /nfs/dbraw/zinc/32/05/91/1066320591.db2.gz IEZPUKPUFIAGNV-UHFFFAOYSA-N 0 0 453.495 4.546 20 0 JJADRN Cc1cc(-c2csc(NC(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)n2)c(C)o1 ZINC001443507987 1066320690 /nfs/dbraw/zinc/32/06/90/1066320690.db2.gz JMZSSIOIJSCBAZ-CQSZACIVSA-N 0 0 457.556 4.720 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)CCCc2ccccn2)no1 ZINC001361081627 1066320834 /nfs/dbraw/zinc/32/08/34/1066320834.db2.gz QXJXTYFMKVQKAZ-UHFFFAOYSA-N 0 0 474.609 4.963 20 0 JJADRN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001361081710 1066320851 /nfs/dbraw/zinc/32/08/51/1066320851.db2.gz KZQLMDLWPOPWJB-UHFFFAOYSA-N 0 0 455.274 4.959 20 0 JJADRN CCc1c(C(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cnn1-c1ccc(Cl)cc1 ZINC001443509045 1066320864 /nfs/dbraw/zinc/32/08/64/1066320864.db2.gz XGQQOYAWQWDOBN-UHFFFAOYSA-N 0 0 455.927 4.579 20 0 JJADRN Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(OCC(F)(F)F)cc4s3)CC2)nc1 ZINC001443505398 1066320907 /nfs/dbraw/zinc/32/09/07/1066320907.db2.gz VPJWXFDOVXIYEU-UHFFFAOYSA-N 0 0 450.486 4.796 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccco2)ccc1F ZINC001361081812 1066321020 /nfs/dbraw/zinc/32/10/20/1066321020.db2.gz UMILMGYNGHUZMH-MRXNPFEDSA-N 0 0 453.543 4.556 20 0 JJADRN C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)Oc1cccc(Cl)c1 ZINC001361082375 1066321250 /nfs/dbraw/zinc/32/12/50/1066321250.db2.gz CAJVHKWFSITRTH-GFYPRVCPSA-N 0 0 451.007 4.943 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)ccc1F ZINC001361081929 1066321314 /nfs/dbraw/zinc/32/13/14/1066321314.db2.gz XDYLBKJHTXGKNO-GOSISDBHSA-N 0 0 455.603 4.638 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC001361082828 1066321652 /nfs/dbraw/zinc/32/16/52/1066321652.db2.gz LJVYCJPQERRTJM-WBVHZDCISA-N 0 0 454.792 4.881 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545959393 1066321706 /nfs/dbraw/zinc/32/17/06/1066321706.db2.gz VGNNGQMKWUJAMF-AZUAARDMSA-N 0 0 485.629 4.502 20 0 JJADRN CN(CCCCC(=O)NCc1cccc(Cn2cnc3ccccc32)c1)C(=O)OC(C)(C)C ZINC001443515165 1066321752 /nfs/dbraw/zinc/32/17/52/1066321752.db2.gz LUZPTGSTHZQNAC-UHFFFAOYSA-N 0 0 450.583 4.738 20 0 JJADRN Cc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ccc(S(N)(=O)=O)cc4)cc3)c2)cc1 ZINC001443514881 1066321817 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/nfs/dbraw/zinc/32/31/15/1066323115.db2.gz IGZJIYWGEMQJGL-SJLPKXTDSA-N 0 0 456.612 4.774 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001443530548 1066323354 /nfs/dbraw/zinc/32/33/54/1066323354.db2.gz IGZJIYWGEMQJGL-WMZOPIPTSA-N 0 0 456.612 4.774 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)ccc1F ZINC001361084722 1066323552 /nfs/dbraw/zinc/32/35/52/1066323552.db2.gz VBSYYCNDGFJCII-IEBWSBKVSA-N 0 0 484.538 4.586 20 0 JJADRN C[C@@H](CNC(=O)CC1CCN(CC(F)(F)F)CC1)Sc1ccc(Br)cc1 ZINC001443530855 1066324104 /nfs/dbraw/zinc/32/41/04/1066324104.db2.gz JYJKJOXWFNEFPL-ZDUSSCGKSA-N 0 0 453.368 4.710 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@@H](C)C1)OC ZINC001545959628 1066324125 /nfs/dbraw/zinc/32/41/25/1066324125.db2.gz ZKHGKJZGIIMFIG-VNHYZAJKSA-N 0 0 457.413 4.602 20 0 JJADRN Cc1c(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)nnn1-c1cccc(Cl)c1 ZINC001361085400 1066324281 /nfs/dbraw/zinc/32/42/81/1066324281.db2.gz BCIZYWYYTSVGBC-UHFFFAOYSA-N 0 0 450.901 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(Br)cc(C=O)c2)cc1 ZINC001454709129 1066324464 /nfs/dbraw/zinc/32/44/64/1066324464.db2.gz PJKNCOZCNVMIFQ-RBUKOAKNSA-N 0 0 459.340 4.895 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)NCC1(c2c(F)cccc2F)CCCC1)N1C(=O)c2ccccc2C1=O ZINC001361085834 1066324598 /nfs/dbraw/zinc/32/45/98/1066324598.db2.gz GUQAGXYENGZTHC-AOMKIAJQSA-N 0 0 454.517 4.604 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)cc1F ZINC001361085798 1066324703 /nfs/dbraw/zinc/32/47/03/1066324703.db2.gz GHLKAVURGGNHHZ-JOCHJYFZSA-N 0 0 455.530 4.795 20 0 JJADRN Cc1cc(OCC(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)ccc1Br ZINC001443532695 1066324893 /nfs/dbraw/zinc/32/48/93/1066324893.db2.gz QHBKFHYASCLZSX-UHFFFAOYSA-N 0 0 456.384 4.628 20 0 JJADRN Cc1ccc(OC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)c(I)c1 ZINC001361087107 1066325013 /nfs/dbraw/zinc/32/50/13/1066325013.db2.gz YWHAKSUNSFJDHU-UHFFFAOYSA-N 0 0 459.283 4.587 20 0 JJADRN COc1ccc(CC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c(Cl)c1OC ZINC001443533236 1066325682 /nfs/dbraw/zinc/32/56/82/1066325682.db2.gz XWZLHNSLWZUNDQ-GFCCVEGCSA-N 0 0 458.805 4.959 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2C)C1 ZINC001546064803 1066326181 /nfs/dbraw/zinc/32/61/81/1066326181.db2.gz WPIMQNHTJKXGAV-QGDZQMKYSA-N 0 0 456.631 4.721 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)ccc1OCc1cccnc1 ZINC001454722347 1066326294 /nfs/dbraw/zinc/32/62/94/1066326294.db2.gz NHJORKJGAOIWBF-NRFANRHFSA-N 0 0 458.917 4.705 20 0 JJADRN O=C(N1CCN(Cc2ccc(O)cc2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001454720687 1066326445 /nfs/dbraw/zinc/32/64/45/1066326445.db2.gz BQZZYOMTNLDEKP-UHFFFAOYSA-N 0 0 457.412 4.701 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(F)(F)F)n1CCC1(O)CCC1 ZINC001361087352 1066326503 /nfs/dbraw/zinc/32/65/03/1066326503.db2.gz HVDWQAVKOBFZQG-UHFFFAOYSA-N 0 0 460.928 4.555 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)o1 ZINC001443538221 1066326851 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NIEAFUIMHAXINI-UHFFFAOYSA-N 0 0 474.049 4.643 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1cc(Cl)c(N)c(Cl)c1)Cc1ccccc1 ZINC001454731741 1066327772 /nfs/dbraw/zinc/32/77/72/1066327772.db2.gz ADPSUYLYTGLSFH-INIZCTEOSA-N 0 0 452.382 4.832 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)(F)C2)n1CC(C)(C)O ZINC001361087743 1066328028 /nfs/dbraw/zinc/32/80/28/1066328028.db2.gz OURGBSSZIMDSOB-UHFFFAOYSA-N 0 0 456.965 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1 ZINC001443565902 1066328918 /nfs/dbraw/zinc/32/89/18/1066328918.db2.gz BVNXRTKZPYKFBR-IBGZPJMESA-N 0 0 456.564 4.943 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCC1CCOCC1 ZINC001361088073 1066329184 /nfs/dbraw/zinc/32/91/84/1066329184.db2.gz FQUFEPZBUNRKRO-WOJBJXKFSA-N 0 0 477.049 4.682 20 0 JJADRN COc1ccc(C2(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)CCOCC2)cc1 ZINC001443567448 1066329401 /nfs/dbraw/zinc/32/94/01/1066329401.db2.gz GVBHJBZZRGEERY-UHFFFAOYSA-N 0 0 452.454 4.890 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)COC1 ZINC001361088115 1066329678 /nfs/dbraw/zinc/32/96/78/1066329678.db2.gz RUOBIRYEDFKCBC-UHFFFAOYSA-N 0 0 476.046 4.689 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CCCCCC1 ZINC001454741036 1066329738 /nfs/dbraw/zinc/32/97/38/1066329738.db2.gz SEOYFMLBONBANO-HKBOAZHASA-N 0 0 452.542 4.775 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001454740988 1066329851 /nfs/dbraw/zinc/32/98/51/1066329851.db2.gz RXPRNEGRWBVNLE-IBGZPJMESA-N 0 0 451.876 4.684 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)COc1cc(Cl)ccc1Cl ZINC001454745291 1066330344 /nfs/dbraw/zinc/33/03/44/1066330344.db2.gz SGNKHYVSCNIBHR-CQSZACIVSA-N 0 0 453.149 4.577 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC001454751723 1066331206 /nfs/dbraw/zinc/33/12/06/1066331206.db2.gz VPWGJJKBJNHAGB-UHFFFAOYSA-N 0 0 458.230 4.804 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001361088525 1066331132 /nfs/dbraw/zinc/33/11/32/1066331132.db2.gz XAXYFIBNVVHIGZ-UHFFFAOYSA-N 0 0 488.076 4.889 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1OCCC1(C)C ZINC001361088366 1066331153 /nfs/dbraw/zinc/33/11/53/1066331153.db2.gz UGQIEZGUCXYSJN-SIKLNZKXSA-N 0 0 477.049 4.539 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCC(=O)N(C)C ZINC001361088509 1066331520 /nfs/dbraw/zinc/33/15/20/1066331520.db2.gz IUBROYDSWSXEPS-LJQANCHMSA-N 0 0 476.065 4.602 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001361088574 1066331549 /nfs/dbraw/zinc/33/15/49/1066331549.db2.gz XHVAAXPQHDTOBA-NSDVKYAKSA-N 0 0 479.040 4.987 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)CC2)n1CCN(C)CC(F)(F)F ZINC001361088551 1066331612 /nfs/dbraw/zinc/33/16/12/1066331612.db2.gz JDJPZVJENVTCPQ-UHFFFAOYSA-N 0 0 487.998 4.982 20 0 JJADRN CCOC(=O)Nc1ccc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1 ZINC001443581442 1066331883 /nfs/dbraw/zinc/33/18/83/1066331883.db2.gz 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Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCC(C)(C)O ZINC001361088866 1066333091 /nfs/dbraw/zinc/33/30/91/1066333091.db2.gz MLWYDOZCZYYMJB-RBBKRZOGSA-N 0 0 477.049 4.560 20 0 JJADRN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001443585768 1066333229 /nfs/dbraw/zinc/33/32/29/1066333229.db2.gz HPZKUNCHGCPIHC-OAHLLOKOSA-N 0 0 458.436 4.856 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001454775716 1066333646 /nfs/dbraw/zinc/33/36/46/1066333646.db2.gz LXLQVQNXSBLUSK-ZWKOTPCHSA-N 0 0 458.521 4.730 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001361088983 1066333587 /nfs/dbraw/zinc/33/35/87/1066333587.db2.gz OBJSYQKFNGIWQD-BAGYTPMASA-N 0 0 491.076 4.664 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CO)CC2)n1C[C@]1(C)CCCS1 ZINC001361088989 1066334000 /nfs/dbraw/zinc/33/40/00/1066334000.db2.gz OHEWVFFYCMTGHZ-DEOSSOPVSA-N 0 0 479.090 4.746 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ncc(Cl)n1C)OC ZINC001545960407 1066334017 /nfs/dbraw/zinc/33/40/17/1066334017.db2.gz CIENKVHWLUPJHL-INIZCTEOSA-N 0 0 463.051 4.724 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(O)c1)c1nc(-c2ccccc2)cs1 ZINC001443590417 1066334211 /nfs/dbraw/zinc/33/42/11/1066334211.db2.gz MPYKPYWYYNORKF-NSHDSACASA-N 0 0 450.301 4.611 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3cc4c(ccnc4Cl)s3)CC2)n1 ZINC001454784452 1066334297 /nfs/dbraw/zinc/33/42/97/1066334297.db2.gz YYWULSFLODRSJT-UHFFFAOYSA-N 0 0 450.029 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(OCc3cccnc3)c1)C2 ZINC001454813622 1066334703 /nfs/dbraw/zinc/33/47/03/1066334703.db2.gz DEFZYPQXVMZLQZ-QQFNCUIESA-N 0 0 451.567 4.569 20 0 JJADRN CCOCCN1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 ZINC001443600173 1066335095 /nfs/dbraw/zinc/33/50/95/1066335095.db2.gz GBEPVIPVLKENNZ-UHFFFAOYSA-N 0 0 450.604 4.788 20 0 JJADRN CCN(C(=O)c1coc(Sc2ncccn2)n1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443598198 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FSBMQBRXGOFZOS-UHFFFAOYSA-N 0 0 450.398 4.946 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c1 ZINC001443615644 1066337847 /nfs/dbraw/zinc/33/78/47/1066337847.db2.gz JEAZNIVRKCWQBK-UHFFFAOYSA-N 0 0 451.401 4.829 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)N2CCCCC2)C1 ZINC001546065999 1066338146 /nfs/dbraw/zinc/33/81/46/1066338146.db2.gz DYXAQDNDXGWACO-XMMPIXPASA-N 0 0 460.022 4.636 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 ZINC001443621471 1066338140 /nfs/dbraw/zinc/33/81/40/1066338140.db2.gz WFZRKIJHUSJUDG-UHFFFAOYSA-N 0 0 450.539 4.708 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)C(C)(C)Cc2ccc(Br)cc2)n1 ZINC001361090255 1066338568 /nfs/dbraw/zinc/33/85/68/1066338568.db2.gz DQBBIMIURCLLIT-OAHLLOKOSA-N 0 0 452.393 4.793 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001361090152 1066338605 /nfs/dbraw/zinc/33/86/05/1066338605.db2.gz BKHAXYIZKPPYMR-UPTQXZAWSA-N 0 0 499.146 4.740 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC2)n1CC(C)(C)C(F)(F)F ZINC001361090502 1066338868 /nfs/dbraw/zinc/33/88/68/1066338868.db2.gz GJISTNJBZNJLJM-UHFFFAOYSA-N 0 0 460.928 4.677 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@H]2C)n1CC1(O)CCCCCC1 ZINC001361090661 1066338953 /nfs/dbraw/zinc/33/89/53/1066338953.db2.gz GXZHRUULXXMGQY-HXUWFJFHSA-N 0 0 477.049 4.562 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCN(c4ccccc4)C(=O)C3)CCCCC2)c(Br)c1 ZINC001454888695 1066338929 /nfs/dbraw/zinc/33/89/29/1066338929.db2.gz DMNQMUOEUOXVGB-UHFFFAOYSA-N 0 0 455.396 4.835 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1CC[C@H]1CCOC1 ZINC001361090407 1066339176 /nfs/dbraw/zinc/33/91/76/1066339176.db2.gz COYRBIIHGBIDAQ-REWPJTCUSA-N 0 0 477.049 4.539 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ncnn2C(C)(C)C)C1 ZINC001546066186 1066339681 /nfs/dbraw/zinc/33/96/81/1066339681.db2.gz IJJCEHFNQRSGRU-JOCHJYFZSA-N 0 0 490.425 4.868 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@](C)(O)C(C)C ZINC001361090997 1066340036 /nfs/dbraw/zinc/34/00/36/1066340036.db2.gz LLGYNQDIVRDEPS-GJZUVCINSA-N 0 0 493.092 4.910 20 0 JJADRN CCOc1ccc(CN(C(=O)CCC(=O)c2cnn(C)c2)c2ccc(OC)c(Cl)c2)cc1 ZINC001443630139 1066340134 /nfs/dbraw/zinc/34/01/34/1066340134.db2.gz FZPXBVMCGUBTKC-UHFFFAOYSA-N 0 0 455.942 4.677 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546066323 1066340219 /nfs/dbraw/zinc/34/02/19/1066340219.db2.gz KXKYXKIFHBXXRW-FQRUVTKNSA-N 0 0 469.630 4.980 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCn2cc(Cl)cn2)C1 ZINC001546066283 1066340347 /nfs/dbraw/zinc/34/03/47/1066340347.db2.gz KANXRQFWBMQJRY-OAQYLSRUSA-N 0 0 493.837 4.893 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)C1 ZINC001546066340 1066340447 /nfs/dbraw/zinc/34/04/47/1066340447.db2.gz LFOMDMYASFSKQH-QRWLVFNGSA-N 0 0 469.449 4.591 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)C1 ZINC001546066338 1066340466 /nfs/dbraw/zinc/34/04/66/1066340466.db2.gz LFOMDMYASFSKQH-FOIQADDNSA-N 0 0 469.449 4.591 20 0 JJADRN Cc1ccsc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@@H]1C ZINC001361091088 1066340441 /nfs/dbraw/zinc/34/04/41/1066340441.db2.gz MOGRXOQEASOALR-SFHVURJKSA-N 0 0 461.031 4.895 20 0 JJADRN Cc1ccsc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@H]1C ZINC001361091087 1066340475 /nfs/dbraw/zinc/34/04/75/1066340475.db2.gz MOGRXOQEASOALR-GOSISDBHSA-N 0 0 461.031 4.895 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c2ccccc2Cl)c(C)c1 ZINC001361091044 1066340566 /nfs/dbraw/zinc/34/05/66/1066340566.db2.gz MNODTIJPBMUDFD-NTKDMRAZSA-N 0 0 452.938 4.739 20 0 JJADRN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 ZINC001443631507 1066340638 /nfs/dbraw/zinc/34/06/38/1066340638.db2.gz FVBNZNRBYIJFCY-UHFFFAOYSA-N 0 0 458.605 4.538 20 0 JJADRN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)cc1C ZINC001443631989 1066340954 /nfs/dbraw/zinc/34/09/54/1066340954.db2.gz KVIYKYFWJWXCJA-UHFFFAOYSA-N 0 0 451.542 4.627 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001361091180 1066341067 /nfs/dbraw/zinc/34/10/67/1066341067.db2.gz NSAIFENWEZSTQX-HYBUGGRVSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001361091646 1066341444 /nfs/dbraw/zinc/34/14/44/1066341444.db2.gz RVPRQBZGKCIPHI-OALUTQOASA-N 0 0 465.063 4.620 20 0 JJADRN CON(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC001454916285 1066341951 /nfs/dbraw/zinc/34/19/51/1066341951.db2.gz AXGIUIOWHKYLGG-UONOGXRCSA-N 0 0 454.976 4.737 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001361091786 1066341952 /nfs/dbraw/zinc/34/19/52/1066341952.db2.gz UJERAHNPOJNULS-UUOWRZLLSA-N 0 0 491.057 4.694 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H]1CC1(C)C ZINC001361091843 1066342191 /nfs/dbraw/zinc/34/21/91/1066342191.db2.gz VOQOTYZLBUYIEL-FQEVSTJZSA-N 0 0 488.076 4.602 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)n1 ZINC001361091886 1066342438 /nfs/dbraw/zinc/34/24/38/1066342438.db2.gz VYXVLMHYHIIHOE-LBPRGKRZSA-N 0 0 455.005 4.843 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N3CCC[C@H](OC4CCC4)CC3)C2)C1 ZINC001454921474 1066342566 /nfs/dbraw/zinc/34/25/66/1066342566.db2.gz CPILKBJDMTZSHU-CCNCWPTPSA-N 0 0 452.661 4.506 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2n[nH]cc2I)cc1 ZINC001443638327 1066342855 /nfs/dbraw/zinc/34/28/55/1066342855.db2.gz AHSXTGBOUBMULB-UHFFFAOYSA-N 0 0 451.333 4.794 20 0 JJADRN COC(=O)CCc1ccccc1C(=O)N(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001443638837 1066343015 /nfs/dbraw/zinc/34/30/15/1066343015.db2.gz BMPQHAURWGXGFS-UHFFFAOYSA-N 0 0 451.544 4.780 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc(I)ccc1O ZINC001454930574 1066343369 /nfs/dbraw/zinc/34/33/69/1066343369.db2.gz JLXSQZPHYKXCJW-IBGZPJMESA-N 0 0 457.258 4.512 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)CC1 ZINC001361092418 1066343514 /nfs/dbraw/zinc/34/35/14/1066343514.db2.gz JKIWGNKTNJLMNS-UHFFFAOYSA-N 0 0 460.395 4.973 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)cc1 ZINC001443640327 1066343551 /nfs/dbraw/zinc/34/35/51/1066343551.db2.gz GFRCDQVZWKLIPP-QHCPKHFHSA-N 0 0 452.624 4.649 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC001361093027 1066343864 /nfs/dbraw/zinc/34/38/64/1066343864.db2.gz DSJLRFHKMWKBAN-MRXNPFEDSA-N 0 0 452.942 4.742 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1 ZINC001361092900 1066344167 /nfs/dbraw/zinc/34/41/67/1066344167.db2.gz ULKYDGLMFDLYNR-UHFFFAOYSA-N 0 0 472.362 4.966 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c1Cl ZINC001454943325 1066344413 /nfs/dbraw/zinc/34/44/13/1066344413.db2.gz OKRHXXONPWDLNA-GOSISDBHSA-N 0 0 456.974 4.636 20 0 JJADRN C[C@@H](CC(=O)NCCCNC(=O)c1ccc(Br)cc1)Cc1ccc(Cl)cc1 ZINC001361094116 1066344601 /nfs/dbraw/zinc/34/46/01/1066344601.db2.gz TUEYMYWZXBNZHP-OAHLLOKOSA-N 0 0 451.792 4.608 20 0 JJADRN C[C@H](Cc1cncc2ccccc21)C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454940211 1066344610 /nfs/dbraw/zinc/34/46/10/1066344610.db2.gz ZVDHJMVEIQPIGA-AEFFLSMTSA-N 0 0 455.480 4.612 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001361094757 1066344963 /nfs/dbraw/zinc/34/49/63/1066344963.db2.gz JFZSDLCCVXEAHA-MRXNPFEDSA-N 0 0 479.419 4.933 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2nnc(C)s2)C1 ZINC001546066690 1066345261 /nfs/dbraw/zinc/34/52/61/1066345261.db2.gz SWOTZWRCVDVTQZ-FQEVSTJZSA-N 0 0 479.423 4.876 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nccnc2C)C1 ZINC001546066829 1066345371 /nfs/dbraw/zinc/34/53/71/1066345371.db2.gz WCHFLWXXWAHAKO-HXUWFJFHSA-N 0 0 461.433 4.737 20 0 JJADRN Cc1nc2cc(C(=O)N[C@@](C)(CO)Cc3ccc(Cl)cc3)ccc2n1Cc1ccsc1 ZINC001454960604 1066345742 /nfs/dbraw/zinc/34/57/42/1066345742.db2.gz FISMPXAAXQMGFL-XMMPIXPASA-N 0 0 453.995 4.831 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 ZINC001361095771 1066346098 /nfs/dbraw/zinc/34/60/98/1066346098.db2.gz OQLLUALIZACNKD-NRFANRHFSA-N 0 0 457.594 4.887 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(OCC(C)C)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963245 1066346150 /nfs/dbraw/zinc/34/61/50/1066346150.db2.gz HOIZNEHHAYAROB-BJKOFHAPSA-N 0 0 468.594 4.863 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C\c3ccnc4ccccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963793 1066346268 /nfs/dbraw/zinc/34/62/68/1066346268.db2.gz LMZGPNAFTHVVQK-VQMHZTMNSA-N 0 0 473.573 4.776 20 0 JJADRN Cc1cccc2oc(C(=O)N[C@H](c3cccc(S(C)(=O)=O)c3)c3cc(F)ccc3F)cc21 ZINC001361096151 1066346682 /nfs/dbraw/zinc/34/66/82/1066346682.db2.gz DEZNCYNVRHPJOG-HSZRJFAPSA-N 0 0 455.482 4.942 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc(F)c2Cl)c2cc(F)ccc2F)c1 ZINC001361096274 1066346907 /nfs/dbraw/zinc/34/69/07/1066346907.db2.gz FDICCIWJGDNMGX-HXUWFJFHSA-N 0 0 453.869 4.680 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3SCCc4sccc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966814 1066346994 /nfs/dbraw/zinc/34/69/94/1066346994.db2.gz YQCHKNQXIPDLGE-QKNQBKEWSA-N 0 0 474.648 4.606 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc4C3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966461 1066347033 /nfs/dbraw/zinc/34/70/33/1066347033.db2.gz VVORMJGGYNREDU-VYKTZEHYSA-N 0 0 464.606 4.710 20 0 JJADRN Cc1nc(C(C)C)ccc1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001361096478 1066347110 /nfs/dbraw/zinc/34/71/10/1066347110.db2.gz JPMLAKJBGQJMSA-HSZRJFAPSA-N 0 0 458.530 4.715 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)NCc2ccccc2Oc2cccc(F)c2)s1 ZINC001443674321 1066347709 /nfs/dbraw/zinc/34/77/09/1066347709.db2.gz SQDSQDDTPJKTMY-UHFFFAOYSA-N 0 0 456.543 4.703 20 0 JJADRN C/C(=C\C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001361097140 1066347690 /nfs/dbraw/zinc/34/76/90/1066347690.db2.gz XOEPQWMKNCVTHJ-AIIPKAINSA-N 0 0 459.489 4.817 20 0 JJADRN C[C@@H](C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 ZINC001443677336 1066348089 /nfs/dbraw/zinc/34/80/89/1066348089.db2.gz HADBUXMABQAOGX-CQSZACIVSA-N 0 0 450.764 4.582 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC2(O)CCC2)C1 ZINC001546067029 1066348248 /nfs/dbraw/zinc/34/82/48/1066348248.db2.gz ZOWGBRMSKMFDBR-OAQYLSRUSA-N 0 0 463.420 4.648 20 0 JJADRN COc1ccc(NC(=O)CCc2cc(Cl)ccc2Br)cc1N1CCOC1=O ZINC001361098771 1066348753 /nfs/dbraw/zinc/34/87/53/1066348753.db2.gz MVLIJWAUXKJPJF-UHFFFAOYSA-N 0 0 453.720 4.639 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(C(=O)NC)cc1)OC ZINC001545961042 1066348835 /nfs/dbraw/zinc/34/88/35/1066348835.db2.gz NQYJNLJSMKXGBT-LAUBAEHRSA-N 0 0 481.666 4.552 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443681637 1066348872 /nfs/dbraw/zinc/34/88/72/1066348872.db2.gz SHBBAMDHDWTSKQ-UHFFFAOYSA-N 0 0 456.757 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)[C@@H](O)C1 ZINC001454978898 1066349509 /nfs/dbraw/zinc/34/95/09/1066349509.db2.gz QHSZMARGZGSINF-YKDNIJDTSA-N 0 0 456.970 4.507 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361099393 1066349295 /nfs/dbraw/zinc/34/92/95/1066349295.db2.gz GBWSCEQUXUUTEJ-LJAQVGFWSA-N 0 0 478.460 4.670 20 0 JJADRN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC001443682895 1066349372 /nfs/dbraw/zinc/34/93/72/1066349372.db2.gz RVNVUIYDMRPRRM-GOSISDBHSA-N 0 0 457.372 4.560 20 0 JJADRN O=C(CNC(=O)c1ccc(F)cc1F)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001443684927 1066349932 /nfs/dbraw/zinc/34/99/32/1066349932.db2.gz CLEYWESNXQYBFB-UHFFFAOYSA-N 0 0 456.411 4.565 20 0 JJADRN Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(Br)c3nccn3c2)cc1 ZINC001443684899 1066349987 /nfs/dbraw/zinc/34/99/87/1066349987.db2.gz BVKYUSWOLGWVSJ-UHFFFAOYSA-N 0 0 456.321 4.938 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)CCNC(=O)OCC(F)(F)F)C(C)C)cc1 ZINC001361100636 1066350254 /nfs/dbraw/zinc/35/02/54/1066350254.db2.gz OBEXPHCFDSEKRZ-UHFFFAOYSA-N 0 0 452.473 4.778 20 0 JJADRN CC(C)(C)[C@@H]1CCCN1C(=O)Cc1ccc(I)c(Br)c1 ZINC001361100761 1066350400 /nfs/dbraw/zinc/35/04/00/1066350400.db2.gz SFYFHNBSOWYWKN-AWEZNQCLSA-N 0 0 450.158 4.633 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCCO3)n2CCCn2cc(Br)cn2)c1 ZINC001361101809 1066350961 /nfs/dbraw/zinc/35/09/61/1066350961.db2.gz SNXAAQMHXKMVDG-IBGZPJMESA-N 0 0 459.392 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001443691481 1066350991 /nfs/dbraw/zinc/35/09/91/1066350991.db2.gz RSKHGRSCCTXGHH-QHCPKHFHSA-N 0 0 459.546 4.929 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361101502 1066351045 /nfs/dbraw/zinc/35/10/45/1066351045.db2.gz MMQRTBMVYAOIPD-RUZDIDTESA-N 0 0 484.670 4.502 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001361101465 1066351076 /nfs/dbraw/zinc/35/10/76/1066351076.db2.gz LNBSGHGSSNVAIB-ICSRJNTNSA-N 0 0 491.583 4.893 20 0 JJADRN CC1(C)COc2ccc(NC(=O)CCCC(=O)c3ccc(Br)cc3)cc2NC1=O ZINC001455003358 1066351057 /nfs/dbraw/zinc/35/10/57/1066351057.db2.gz FBRSSFFIMWSLGI-UHFFFAOYSA-N 0 0 459.340 4.798 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)c1C ZINC001455003800 1066351128 /nfs/dbraw/zinc/35/11/28/1066351128.db2.gz RCBPMEFTWYOGSF-MZNJEOGPSA-N 0 0 451.615 4.987 20 0 JJADRN COC[C@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1cccc(Br)c1 ZINC001455004242 1066351275 /nfs/dbraw/zinc/35/12/75/1066351275.db2.gz JGFUTLVVUYSURT-IBGZPJMESA-N 0 0 459.365 4.880 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001443695633 1066351679 /nfs/dbraw/zinc/35/16/79/1066351679.db2.gz CWVIXFYPGOSPKZ-UHFFFAOYSA-N 0 0 453.579 4.940 20 0 JJADRN CSc1ccc(CCCC(=O)Nc2cnn(CC(=O)Nc3ccc(SC)cc3)c2)cc1 ZINC001443696800 1066351718 /nfs/dbraw/zinc/35/17/18/1066351718.db2.gz DNWIJNSHZDANGD-UHFFFAOYSA-N 0 0 454.621 4.927 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(OC(F)F)c3)c2)c1 ZINC001455005054 1066351892 /nfs/dbraw/zinc/35/18/92/1066351892.db2.gz DXAICTVIGUSALW-UHFFFAOYSA-N 0 0 450.438 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001443698153 1066352306 /nfs/dbraw/zinc/35/23/06/1066352306.db2.gz LQJPHRPYDPFBJT-QPPBQGQZSA-N 0 0 451.007 4.840 20 0 JJADRN O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC001455007984 1066352319 /nfs/dbraw/zinc/35/23/19/1066352319.db2.gz QGGPGMCHVMSBNX-LBPRGKRZSA-N 0 0 458.253 4.627 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001455006259 1066352492 /nfs/dbraw/zinc/35/24/92/1066352492.db2.gz PRLFPHYMANVSKM-UXHICEINSA-N 0 0 459.587 4.956 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccc(C)c(C(=O)c4ccccc4)c3)c2)cc1 ZINC001455009457 1066352762 /nfs/dbraw/zinc/35/27/62/1066352762.db2.gz XRSMTBJGYPMWPF-UHFFFAOYSA-N 0 0 458.539 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001455009148 1066353088 /nfs/dbraw/zinc/35/30/88/1066353088.db2.gz VVAZHHPQORRZFX-ZIAGYGMSSA-N 0 0 454.390 4.606 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443702284 1066353134 /nfs/dbraw/zinc/35/31/34/1066353134.db2.gz BHPZMMLLICBLHB-IBGZPJMESA-N 0 0 451.567 4.624 20 0 JJADRN CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c2ccc(F)cc21 ZINC001361103336 1066353301 /nfs/dbraw/zinc/35/33/01/1066353301.db2.gz AHOQIEVEVZDSGP-UHFFFAOYSA-N 0 0 453.514 4.792 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1nccc2c(Br)cccc21)c1ccc(SC)cc1 ZINC001361104191 1066353655 /nfs/dbraw/zinc/35/36/55/1066353655.db2.gz OLXHEVHYCRRFDJ-GOSISDBHSA-N 0 0 459.365 4.753 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CC1 ZINC001443703233 1066353786 /nfs/dbraw/zinc/35/37/86/1066353786.db2.gz UCHLKVRYHRAERB-WXFUMESZSA-N 0 0 471.439 4.865 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001361104550 1066353772 /nfs/dbraw/zinc/35/37/72/1066353772.db2.gz UAXRSXFSESWRKP-GBESFXJTSA-N 0 0 466.022 4.517 20 0 JJADRN CC(C)Cn1c(SCC(=O)NC(C)(C)C(C)(C)O)nnc1-c1ccc(Cl)cc1Cl ZINC001455022714 1066354235 /nfs/dbraw/zinc/35/42/35/1066354235.db2.gz WIVFYKWPRYVLCW-UHFFFAOYSA-N 0 0 459.443 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)C1 ZINC001443705511 1066354978 /nfs/dbraw/zinc/35/49/78/1066354978.db2.gz PGBIIJJEITXBCS-MRXNPFEDSA-N 0 0 451.995 4.823 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)CC2)nc(C(C)C)n1 ZINC001361105673 1066354996 /nfs/dbraw/zinc/35/49/96/1066354996.db2.gz SIXVHOSXFPNXHF-UHFFFAOYSA-N 0 0 464.662 4.658 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)C)n3CCOc3ccc(Cl)cc3)CC2)nc(C(C)C)n1 ZINC001361105700 1066355194 /nfs/dbraw/zinc/35/51/94/1066355194.db2.gz TVVGXZLTMHEMDA-UHFFFAOYSA-N 0 0 484.048 4.682 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NCC(=O)c1ccc(F)c2ccccc12 ZINC001455050511 1066355652 /nfs/dbraw/zinc/35/56/52/1066355652.db2.gz JHMKAAWYDFKEEW-UHFFFAOYSA-N 0 0 450.691 4.773 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H](C)c1nc2ccccc2o1 ZINC001455050545 1066355668 /nfs/dbraw/zinc/35/56/68/1066355668.db2.gz JRDOPDZCCYRIED-ZDUSSCGKSA-N 0 0 453.340 4.926 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccc3C)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546068106 1066355761 /nfs/dbraw/zinc/35/57/61/1066355761.db2.gz IEJTZMPNZGTBDZ-JOCHJYFZSA-N 0 0 459.520 4.801 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)cc1OCC ZINC001455051419 1066355804 /nfs/dbraw/zinc/35/58/04/1066355804.db2.gz YSXDSUFRSXQDBM-UHFFFAOYSA-N 0 0 453.583 4.578 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3C)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546068107 1066355824 /nfs/dbraw/zinc/35/58/24/1066355824.db2.gz IEJTZMPNZGTBDZ-QFIPXVFZSA-N 0 0 459.520 4.801 20 0 JJADRN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C1CC1 ZINC001443714944 1066355675 /nfs/dbraw/zinc/35/56/75/1066355675.db2.gz UUMOWMJPGNKVDO-ZIAGYGMSSA-N 0 0 459.450 4.565 20 0 JJADRN CC[C@H](C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C1CC1 ZINC001443714941 1066355850 /nfs/dbraw/zinc/35/58/50/1066355850.db2.gz UUMOWMJPGNKVDO-KBPBESRZSA-N 0 0 459.450 4.565 20 0 JJADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001443711104 1066355952 /nfs/dbraw/zinc/35/59/52/1066355952.db2.gz LHRFXGVTHYKKDC-XBTXGSBDSA-N 0 0 454.720 4.956 20 0 JJADRN O=C([C@H](Sc1ccc(F)cc1)c1ccccc1)N1CC(c2ncc(Br)cn2)C1 ZINC001455056702 1066356333 /nfs/dbraw/zinc/35/63/33/1066356333.db2.gz BOGISOKBIAHTCT-LJQANCHMSA-N 0 0 458.356 4.838 20 0 JJADRN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001443720508 1066356353 /nfs/dbraw/zinc/35/63/53/1066356353.db2.gz STKLVTQVSKXZNP-NRFANRHFSA-N 0 0 458.983 4.755 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)nc1C ZINC001455059453 1066356751 /nfs/dbraw/zinc/35/67/51/1066356751.db2.gz MWSYYZRYAHHIAT-UHFFFAOYSA-N 0 0 454.514 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCCO[C@H]3c3ccc(Cl)cc3)nc2C1 ZINC001455067419 1066356780 /nfs/dbraw/zinc/35/67/80/1066356780.db2.gz QUPVSNUORHQVSP-KNQAVFIVSA-N 0 0 471.985 4.678 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)n[nH]1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455059516 1066356944 /nfs/dbraw/zinc/35/69/44/1066356944.db2.gz ZMYCTZAGHJGNKS-QGZVFWFLSA-N 0 0 454.246 4.628 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC001443724504 1066357312 /nfs/dbraw/zinc/35/73/12/1066357312.db2.gz BHOJWRGFDKVLGA-UHFFFAOYSA-N 0 0 454.445 4.609 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001443725563 1066357407 /nfs/dbraw/zinc/35/74/07/1066357407.db2.gz INQCRZOIFRDFLD-OAQYLSRUSA-N 0 0 454.325 4.633 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443725705 1066357594 /nfs/dbraw/zinc/35/75/94/1066357594.db2.gz JIPLYQXJNFBWDY-INIZCTEOSA-N 0 0 456.326 4.777 20 0 JJADRN CCOC(=O)CS[C@@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(F)(F)F ZINC001455080206 1066357882 /nfs/dbraw/zinc/35/78/82/1066357882.db2.gz OQQYFSDWMJWQMG-HKUYNNGSSA-N 0 0 457.539 4.863 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC001455074954 1066358112 /nfs/dbraw/zinc/35/81/12/1066358112.db2.gz UBBKXJVBVKFGHE-IBGZPJMESA-N 0 0 451.592 4.821 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)c1 ZINC001361109814 1066358554 /nfs/dbraw/zinc/35/85/54/1066358554.db2.gz GHFVVDDFNSPODD-JTHBVZDNSA-N 0 0 499.656 4.599 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)c1 ZINC001361110346 1066359513 /nfs/dbraw/zinc/35/95/13/1066359513.db2.gz NAJYSBOCNZRKFN-XJUOHMSHSA-N 0 0 499.656 4.741 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC2CC2)CC1)OC ZINC001545961487 1066359675 /nfs/dbraw/zinc/35/96/75/1066359675.db2.gz WIKNSBJXTIHJGY-KRWDZBQOSA-N 0 0 493.446 4.537 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)nn1-c1ccc(F)cc1 ZINC001443731733 1066359892 /nfs/dbraw/zinc/35/98/92/1066359892.db2.gz SNWGRXGKBAEWNU-HXUWFJFHSA-N 0 0 452.288 4.979 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001443731129 1066359926 /nfs/dbraw/zinc/35/99/26/1066359926.db2.gz OGZLUBWKBLLQDO-SNVBAGLBSA-N 0 0 452.629 4.873 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@H](C)CC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110585 1066359798 /nfs/dbraw/zinc/35/97/98/1066359798.db2.gz QITBLQIBVCTTBW-LOYIFYEOSA-N 0 0 470.658 4.967 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccccc1 ZINC001455097329 1066360031 /nfs/dbraw/zinc/36/00/31/1066360031.db2.gz SZJDTITZBUHROE-HLAWJBBLSA-N 0 0 457.368 4.645 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001443732743 1066360152 /nfs/dbraw/zinc/36/01/52/1066360152.db2.gz UHAIHIQCGBSCEN-LLVKDONJSA-N 0 0 459.356 4.625 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001361110600 1066360248 /nfs/dbraw/zinc/36/02/48/1066360248.db2.gz QMLKQFSJKKMNPC-HXUWFJFHSA-N 0 0 480.016 4.600 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001443732197 1066360380 /nfs/dbraw/zinc/36/03/80/1066360380.db2.gz MECFWXHHFSAJDY-RBUKOAKNSA-N 0 0 455.382 4.788 20 0 JJADRN CN(C[C@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1)C(=O)OC(C)(C)C ZINC001443731655 1066360479 /nfs/dbraw/zinc/36/04/79/1066360479.db2.gz QQOITBBVYZRUOW-QGZVFWFLSA-N 0 0 456.505 4.623 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)c2cccc(Nc3ncccn3)c2)C1 ZINC001455100357 1066360382 /nfs/dbraw/zinc/36/03/82/1066360382.db2.gz RPKDEXGZUMSGOZ-VWLOTQADSA-N 0 0 453.587 4.623 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455100150 1066360519 /nfs/dbraw/zinc/36/05/19/1066360519.db2.gz GZXVVPLJNHHKOS-QYBDOPJKSA-N 0 0 454.615 4.598 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110797 1066360521 /nfs/dbraw/zinc/36/05/21/1066360521.db2.gz SUGHVOLHKGRAGR-SBUREZEXSA-N 0 0 466.548 4.536 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N(C)CC3CCCC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110984 1066360671 /nfs/dbraw/zinc/36/06/71/1066360671.db2.gz VEHMSAHUCBIBTR-HFZDXXHNSA-N 0 0 456.631 4.721 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC001443733460 1066360845 /nfs/dbraw/zinc/36/08/45/1066360845.db2.gz WLYXRVLUYFZRLX-YEJXKQKISA-N 0 0 456.341 4.928 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001361111012 1066360764 /nfs/dbraw/zinc/36/07/64/1066360764.db2.gz VMMYHDKTRPRPOA-MOPGFXCFSA-N 0 0 493.599 4.779 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)CC1 ZINC001455102607 1066360915 /nfs/dbraw/zinc/36/09/15/1066360915.db2.gz QMFZUVSSHCZKBS-BRVOVERQSA-N 0 0 452.636 4.536 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001361111150 1066361294 /nfs/dbraw/zinc/36/12/94/1066361294.db2.gz WDLQPKGYKAMYOY-GOSISDBHSA-N 0 0 475.424 4.815 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001455103602 1066361490 /nfs/dbraw/zinc/36/14/90/1066361490.db2.gz VKKZPFCYJLPRNL-FNZWTVRRSA-N 0 0 454.615 4.721 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001455103620 1066361605 /nfs/dbraw/zinc/36/16/05/1066361605.db2.gz VKKZPFCYJLPRNL-RXFWQSSRSA-N 0 0 454.615 4.721 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001443736717 1066361627 /nfs/dbraw/zinc/36/16/27/1066361627.db2.gz SRNKCFRVRJZLNJ-FQEVSTJZSA-N 0 0 450.529 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCC3CCC(c4ccccc4)CC3)[nH]n2)C1 ZINC001443742974 1066361847 /nfs/dbraw/zinc/36/18/47/1066361847.db2.gz IYIJKZMTVQEBIK-DQVLVPHSSA-N 0 0 452.599 4.838 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001455105971 1066362049 /nfs/dbraw/zinc/36/20/49/1066362049.db2.gz DOQRFUAJHMVCEY-HNNXBMFYSA-N 0 0 454.368 4.666 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@H](C)C2)c1 ZINC001361111824 1066362404 /nfs/dbraw/zinc/36/24/04/1066362404.db2.gz COZCPNQFIARUBV-MSOLQXFVSA-N 0 0 488.430 4.674 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361112093 1066362944 /nfs/dbraw/zinc/36/29/44/1066362944.db2.gz LJDFQKBMFKWUEN-UHFFFAOYSA-N 0 0 497.043 4.610 20 0 JJADRN C[C@H](CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1)N(C)C(=O)OC(C)(C)C ZINC001443761576 1066363218 /nfs/dbraw/zinc/36/32/18/1066363218.db2.gz ADYDMLGTJVSRQR-LLVKDONJSA-N 0 0 453.299 4.843 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cc(-c3ccccc3F)on1)C2 ZINC001455116469 1066363272 /nfs/dbraw/zinc/36/32/72/1066363272.db2.gz VVWLCARLIZYJBZ-UHFFFAOYSA-N 0 0 453.470 4.863 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361112399 1066363360 /nfs/dbraw/zinc/36/33/60/1066363360.db2.gz VPKBXEMZJJKHBV-UHFFFAOYSA-N 0 0 493.599 4.919 20 0 JJADRN O=C([C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001455116299 1066363421 /nfs/dbraw/zinc/36/34/21/1066363421.db2.gz UWYODSBUBHEDLU-UWJYYQICSA-N 0 0 450.362 4.504 20 0 JJADRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N(C)CCOc2cccc(C)c2)cs1 ZINC001361113521 1066364304 /nfs/dbraw/zinc/36/43/04/1066364304.db2.gz KMRVOCVZICJIGF-UHFFFAOYSA-N 0 0 453.637 4.762 20 0 JJADRN C/C(=C\C(=O)NC1(c2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F ZINC001455139553 1066364498 /nfs/dbraw/zinc/36/44/98/1066364498.db2.gz JJJSDCYJMTYZMD-SAPNQHFASA-N 0 0 458.505 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001361113280 1066364541 /nfs/dbraw/zinc/36/45/41/1066364541.db2.gz HTKQRJYVQSZGNK-QGZVFWFLSA-N 0 0 480.638 4.866 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2Cc2sc(C)nc2C)cs1 ZINC001361113841 1066364744 /nfs/dbraw/zinc/36/47/44/1066364744.db2.gz UMFLCRAXBCEGFH-UHFFFAOYSA-N 0 0 468.652 4.579 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1 ZINC001361113736 1066364765 /nfs/dbraw/zinc/36/47/65/1066364765.db2.gz QDFLAISBXCFXHA-BGYRXZFFSA-N 0 0 469.630 4.673 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC001443768307 1066364969 /nfs/dbraw/zinc/36/49/69/1066364969.db2.gz KMTRLGAPVWILLV-FQEVSTJZSA-N 0 0 455.436 4.706 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)C)nnc3N(C)CCOc3cccc(C)c3)cn2)n1 ZINC001361113772 1066364998 /nfs/dbraw/zinc/36/49/98/1066364998.db2.gz RKBFYHADYNBWPX-UHFFFAOYSA-N 0 0 473.625 4.546 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC001361114009 1066365280 /nfs/dbraw/zinc/36/52/80/1066365280.db2.gz YWRDGFAOGFJRCP-GJZUVCINSA-N 0 0 463.626 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC001455152524 1066365777 /nfs/dbraw/zinc/36/57/77/1066365777.db2.gz JBZHVWVHYSUCPB-KRWDZBQOSA-N 0 0 453.004 4.856 20 0 JJADRN O=C(NCCN=[S@](=O)(c1ccccc1)C(F)(F)F)c1coc(-c2ccccc2Cl)n1 ZINC001455149167 1066365817 /nfs/dbraw/zinc/36/58/17/1066365817.db2.gz DCQCRERDBFVQDR-PMERELPUSA-N 0 0 457.861 4.772 20 0 JJADRN C[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)Oc1ccc(Cl)cc1 ZINC001361114787 1066365792 /nfs/dbraw/zinc/36/57/92/1066365792.db2.gz REJVPUODGLCJDQ-INIZCTEOSA-N 0 0 453.963 4.539 20 0 JJADRN CNc1nnc(CC(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)s1 ZINC001443772277 1066366071 /nfs/dbraw/zinc/36/60/71/1066366071.db2.gz JJQSVMPPGSAMPI-UHFFFAOYSA-N 0 0 453.749 4.969 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC001455161140 1066366925 /nfs/dbraw/zinc/36/69/25/1066366925.db2.gz URGQHOJOCYCWDF-UONOGXRCSA-N 0 0 450.988 4.937 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC001443776892 1066366802 /nfs/dbraw/zinc/36/68/02/1066366802.db2.gz YHFFKLCEJFTARP-JOCHJYFZSA-N 0 0 451.571 4.647 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(F)cc3C)CC2)s1 ZINC001361115429 1066367030 /nfs/dbraw/zinc/36/70/30/1066367030.db2.gz KDPWMPQYUHMCAK-UHFFFAOYSA-N 0 0 469.630 4.598 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(C)C)c3)CC2)s1 ZINC001361115679 1066367042 /nfs/dbraw/zinc/36/70/42/1066367042.db2.gz QHOSUQRCZWKBNG-UHFFFAOYSA-N 0 0 495.693 4.991 20 0 JJADRN Cc1ccn2cc(Cn3c(N4CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)nc2c1 ZINC001361115432 1066367190 /nfs/dbraw/zinc/36/71/90/1066367190.db2.gz KFKMBGDYQQGSIX-VQTJNVASSA-N 0 0 495.672 4.710 20 0 JJADRN O=C(CNC(=O)c1cc2c(c(Br)c1)OCO2)c1sc2ccccc2c1Cl ZINC001455167960 1066367340 /nfs/dbraw/zinc/36/73/40/1066367340.db2.gz ZKPKIJSAPNGYAO-UHFFFAOYSA-N 0 0 452.713 4.659 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)s1 ZINC001361116592 1066367868 /nfs/dbraw/zinc/36/78/68/1066367868.db2.gz HHQHQAGABZAJFU-SFHVURJKSA-N 0 0 475.728 4.731 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(O)c(C(C)C)c3)c2)cc1 ZINC001455169382 1066368081 /nfs/dbraw/zinc/36/80/81/1066368081.db2.gz VSWMLNNPVWYGNM-UHFFFAOYSA-N 0 0 454.548 4.967 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1COCCN1C1CCCC1 ZINC001443784758 1066368032 /nfs/dbraw/zinc/36/80/32/1066368032.db2.gz AKFLJFDBJMFDLP-GOSISDBHSA-N 0 0 453.436 4.614 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CSc1nccn1Cc1ccccc1 ZINC001443785205 1066368067 /nfs/dbraw/zinc/36/80/67/1066368067.db2.gz CVRGYWTYCJXASN-UHFFFAOYSA-N 0 0 456.999 4.554 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)N[C@H](c3cccc(Cl)c3)C(F)F)cc2)nc1C(F)(F)F ZINC001455174913 1066368308 /nfs/dbraw/zinc/36/83/08/1066368308.db2.gz ZDRZWQHHAOQVML-MRXNPFEDSA-N 0 0 458.818 4.922 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3cc(Br)cs3)CC2)cc1 ZINC001361116983 1066368387 /nfs/dbraw/zinc/36/83/87/1066368387.db2.gz WGAUYWKGVYKQPQ-UHFFFAOYSA-N 0 0 488.455 4.545 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC001361117055 1066368458 /nfs/dbraw/zinc/36/84/58/1066368458.db2.gz ZFKMNDXPGVAHHU-LJQANCHMSA-N 0 0 480.682 4.706 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(Cl)nc3)CC2)s1 ZINC001361117264 1066368628 /nfs/dbraw/zinc/36/86/28/1066368628.db2.gz DHNCRGVMRVHTQL-UHFFFAOYSA-N 0 0 487.073 4.732 20 0 JJADRN COc1cccc(C[C@H](O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 ZINC001443786472 1066368405 /nfs/dbraw/zinc/36/84/05/1066368405.db2.gz HSYOPMGHMLLYBR-SFHVURJKSA-N 0 0 450.388 4.583 20 0 JJADRN Cc1sc2nc(CCC(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)[nH]c(=O)c2c1C ZINC001443792213 1066368879 /nfs/dbraw/zinc/36/88/79/1066368879.db2.gz SBFBSZNAALOYNV-UHFFFAOYSA-N 0 0 455.927 4.821 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1 ZINC001443789436 1066368939 /nfs/dbraw/zinc/36/89/39/1066368939.db2.gz OYALYIKYEMYYJH-BJKOFHAPSA-N 0 0 462.981 4.572 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001546069876 1066369068 /nfs/dbraw/zinc/36/90/68/1066369068.db2.gz XYUKYBOBMSTVSE-NHCUHLMSSA-N 0 0 456.583 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)cc2C1 ZINC001443791728 1066369157 /nfs/dbraw/zinc/36/91/57/1066369157.db2.gz PYRCSJQYIDCONB-UHFFFAOYSA-N 0 0 459.543 4.560 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(Cc4ccccc4C)n3CCC(C)C)CC2)s1 ZINC001361117659 1066369169 /nfs/dbraw/zinc/36/91/69/1066369169.db2.gz LRGDQBXSPSZNLR-UHFFFAOYSA-N 0 0 451.640 4.556 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)[C@@H](CO)c1ccccc1 ZINC001455189359 1066369367 /nfs/dbraw/zinc/36/93/67/1066369367.db2.gz FJGRIVIXZVHPLN-VWNXMTODSA-N 0 0 452.595 4.827 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)s1 ZINC001361118001 1066369466 /nfs/dbraw/zinc/36/94/66/1066369466.db2.gz QZSSYHFSXYTJRO-NRFANRHFSA-N 0 0 487.714 4.985 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CCCC2)cc1 ZINC001443798952 1066369575 /nfs/dbraw/zinc/36/95/75/1066369575.db2.gz DZFKQDUBRAXOHH-UHFFFAOYSA-N 0 0 450.627 4.697 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4ccccn4)n3CC(C)(C)C(C)C)CC2)s1 ZINC001361118470 1066369849 /nfs/dbraw/zinc/36/98/49/1066369849.db2.gz ZIRNOFFVOYGMPX-UHFFFAOYSA-N 0 0 480.682 4.715 20 0 JJADRN O=C(CCn1cc(Cl)cn1)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001361118583 1066370048 /nfs/dbraw/zinc/37/00/48/1066370048.db2.gz ZULABBIVTFJAEH-UHFFFAOYSA-N 0 0 458.747 4.726 20 0 JJADRN Cn1ccc(Nc2ccccc2NC(=O)c2ccc3[nH]cc(I)c3c2)n1 ZINC001455205031 1066370298 /nfs/dbraw/zinc/37/02/98/1066370298.db2.gz RDCWXBMTQUEEER-UHFFFAOYSA-N 0 0 457.275 4.502 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)c1ccc2c(c1)nc(CO)n2C ZINC001455210121 1066370789 /nfs/dbraw/zinc/37/07/89/1066370789.db2.gz QMBQVYVLQGINAC-UHFFFAOYSA-N 0 0 453.901 4.923 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1)Cc1cccc2ccccc21 ZINC001443815496 1066371414 /nfs/dbraw/zinc/37/14/14/1066371414.db2.gz KUINLENPINTYBJ-QFIPXVFZSA-N 0 0 459.521 4.543 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1C)OC ZINC001545962492 1066371842 /nfs/dbraw/zinc/37/18/42/1066371842.db2.gz DQCMAAIPVXXBTE-HXUWFJFHSA-N 0 0 468.602 4.916 20 0 JJADRN O=C(CSCc1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001455221686 1066371769 /nfs/dbraw/zinc/37/17/69/1066371769.db2.gz PDWCIYDODPTZJE-SJLPKXTDSA-N 0 0 452.325 4.877 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@]2(O)CCSC2)c1 ZINC001361122008 1066372086 /nfs/dbraw/zinc/37/20/86/1066372086.db2.gz BKSOOVJYDNHDSE-KBMIEXCESA-N 0 0 470.639 4.947 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC001443825104 1066372139 /nfs/dbraw/zinc/37/21/39/1066372139.db2.gz SYIZPOUMQLUCRD-QHCPKHFHSA-N 0 0 455.624 4.561 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](c3nccs3)C2)cc1OCC ZINC001455222469 1066372529 /nfs/dbraw/zinc/37/25/29/1066372529.db2.gz PQSFHOIQOCGVIJ-GOSISDBHSA-N 0 0 450.560 4.801 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H]2CCC(=O)N2)c1 ZINC001361122570 1066372480 /nfs/dbraw/zinc/37/24/80/1066372480.db2.gz KOIHIFRGPHMNNZ-RBUKOAKNSA-N 0 0 467.639 4.826 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC001443828223 1066372653 /nfs/dbraw/zinc/37/26/53/1066372653.db2.gz YMOQWLQPQUTPGX-FQEVSTJZSA-N 0 0 452.555 4.786 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1cccc2ccccc21 ZINC001443825695 1066372689 /nfs/dbraw/zinc/37/26/89/1066372689.db2.gz VMIPSADNFNKWRX-JOCHJYFZSA-N 0 0 458.583 4.957 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545962544 1066372727 /nfs/dbraw/zinc/37/27/27/1066372727.db2.gz FKCFHLZZFIUYFU-YADHBBJMSA-N 0 0 495.624 4.598 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCC(C)C)C2CC2)cc1 ZINC001361123252 1066372742 /nfs/dbraw/zinc/37/27/42/1066372742.db2.gz VMYSAXDHCZWLFY-DNQXCXABSA-N 0 0 481.685 4.950 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2nccs2)c1 ZINC001361123407 1066373240 /nfs/dbraw/zinc/37/32/40/1066373240.db2.gz ADYQKQAOEPQPLX-IBGZPJMESA-N 0 0 455.628 4.657 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCn3cccn3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361123402 1066373311 /nfs/dbraw/zinc/37/33/11/1066373311.db2.gz ADNVCGHEAWGNND-FGZHOGPDSA-N 0 0 480.657 4.825 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001361123411 1066373592 /nfs/dbraw/zinc/37/35/92/1066373592.db2.gz AGDLYFGFUZZSTQ-HKUYNNGSSA-N 0 0 477.600 4.685 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1)Cc1ccc2ccccc2c1 ZINC001443834534 1066373974 /nfs/dbraw/zinc/37/39/74/1066373974.db2.gz GYQVYGXQVNNIST-HSZRJFAPSA-N 0 0 455.558 4.911 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc2ccccc2c1 ZINC001443833997 1066374059 /nfs/dbraw/zinc/37/40/59/1066374059.db2.gz GFYAIEDKLSKDIO-QHCPKHFHSA-N 0 0 458.583 4.957 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1)Cc1ccc2ccccc2c1 ZINC001443834540 1066374076 /nfs/dbraw/zinc/37/40/76/1066374076.db2.gz GYQVYGXQVNNIST-QHCPKHFHSA-N 0 0 455.558 4.911 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cc(Cl)c(Br)cc1F ZINC001455229854 1066374082 /nfs/dbraw/zinc/37/40/82/1066374082.db2.gz ZDHZZPPTHVKLQD-HUUCEWRRSA-N 0 0 454.645 4.506 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC001443840376 1066374219 /nfs/dbraw/zinc/37/42/19/1066374219.db2.gz RCTTYRIJHCZYAA-XMSQKQJNSA-N 0 0 458.562 4.626 20 0 JJADRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1ccsc1C(F)(F)F ZINC001443839307 1066374278 /nfs/dbraw/zinc/37/42/78/1066374278.db2.gz IJWQEGFHBBKHTO-WAYWQWQTSA-N 0 0 450.404 4.574 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1occc1NC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1 ZINC001443838163 1066374298 /nfs/dbraw/zinc/37/42/98/1066374298.db2.gz NGHAOCKRZCPSDN-IBGZPJMESA-N 0 0 452.507 4.542 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)n1)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001455244560 1066374917 /nfs/dbraw/zinc/37/49/17/1066374917.db2.gz ITMWPMVOUDDMAZ-UHFFFAOYSA-N 0 0 455.480 4.571 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C(\C)c1ccccc1OC(F)F)Cc1ccc2ccccc2c1 ZINC001443843927 1066374873 /nfs/dbraw/zinc/37/48/73/1066374873.db2.gz YEFKDQRESABRTF-ZDJZVTAXSA-N 0 0 453.485 4.993 20 0 JJADRN CCOc1cc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)ccc1OCc1cccnc1 ZINC001443842746 1066374960 /nfs/dbraw/zinc/37/49/60/1066374960.db2.gz RXIXVZVLKALHPZ-MRXNPFEDSA-N 0 0 454.498 4.707 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)ccc1OCc1cccnc1 ZINC001443842744 1066375008 /nfs/dbraw/zinc/37/50/08/1066375008.db2.gz RXIXVZVLKALHPZ-INIZCTEOSA-N 0 0 454.498 4.707 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCn2cncn2)c1 ZINC001361123688 1066375049 /nfs/dbraw/zinc/37/50/49/1066375049.db2.gz JUROVWZUHJAKML-CTNGQTDRSA-N 0 0 451.619 4.596 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2ccc(F)cn2)c1 ZINC001361123755 1066375134 /nfs/dbraw/zinc/37/51/34/1066375134.db2.gz LYSZXENMORBGFW-HXUWFJFHSA-N 0 0 467.589 4.734 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2c3c(sc2NC(=O)c2ccco2)CCC3)cc1OC ZINC001443844672 1066375315 /nfs/dbraw/zinc/37/53/15/1066375315.db2.gz VUOJAVOANQPQBA-GFCCVEGCSA-N 0 0 458.511 4.729 20 0 JJADRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001443844714 1066375355 /nfs/dbraw/zinc/37/53/55/1066375355.db2.gz WAPZQRFZQMANAN-UHFFFAOYSA-N 0 0 456.455 4.870 20 0 JJADRN Cc1cnn(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)Cc2ccccn2)c1 ZINC001361123788 1066375568 /nfs/dbraw/zinc/37/55/68/1066375568.db2.gz MTSIYYGAAMUYBI-UHFFFAOYSA-N 0 0 459.598 4.525 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001443847818 1066375717 /nfs/dbraw/zinc/37/57/17/1066375717.db2.gz KWPFPDSEOWFBIL-VWNXMTODSA-N 0 0 450.966 4.957 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc1)C(C)C ZINC001443847769 1066375737 /nfs/dbraw/zinc/37/57/37/1066375737.db2.gz KTVDYDSJAKWZPK-HSZRJFAPSA-N 0 0 453.583 4.956 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001443847812 1066375773 /nfs/dbraw/zinc/37/57/73/1066375773.db2.gz KWPFPDSEOWFBIL-UPVQGACJSA-N 0 0 450.966 4.957 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001455253250 1066375756 /nfs/dbraw/zinc/37/57/56/1066375756.db2.gz GAYZNQDRMQBDLP-UHFFFAOYSA-N 0 0 456.587 4.602 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)c1 ZINC001361123942 1066375869 /nfs/dbraw/zinc/37/58/69/1066375869.db2.gz RIOSFKMLPYGACH-HXUWFJFHSA-N 0 0 476.687 4.739 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@@H]2CC=CCC2)n[nH]1 ZINC001361123958 1066375928 /nfs/dbraw/zinc/37/59/28/1066375928.db2.gz RSKCZAODCMZGJM-OAQYLSRUSA-N 0 0 463.630 4.751 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)cc1)C(C)C ZINC001443847773 1066375932 /nfs/dbraw/zinc/37/59/32/1066375932.db2.gz KTVDYDSJAKWZPK-QHCPKHFHSA-N 0 0 453.583 4.956 20 0 JJADRN CC(C)Oc1c(Cl)cccc1NC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001443851207 1066376415 /nfs/dbraw/zinc/37/64/15/1066376415.db2.gz JDLRLLZBGHNEJB-UHFFFAOYSA-N 0 0 451.951 4.612 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCC=CO2)c1 ZINC001361124049 1066376705 /nfs/dbraw/zinc/37/67/05/1066376705.db2.gz VKTSMVUIGYVNKY-FCHUYYIVSA-N 0 0 454.615 4.844 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CCCCS2)c1 ZINC001361123981 1066376774 /nfs/dbraw/zinc/37/67/74/1066376774.db2.gz SIDOAPSBQXQBFQ-HXUWFJFHSA-N 0 0 487.714 4.926 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546070691 1066376823 /nfs/dbraw/zinc/37/68/23/1066376823.db2.gz NPVJVCFSSMWJSW-ZYLNGJIFSA-N 0 0 461.651 4.793 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCc2c(OC)cc(OC)cc2OC)C1 ZINC001546070704 1066377023 /nfs/dbraw/zinc/37/70/23/1066377023.db2.gz NYFLKRYSPOACKK-AREMUKBSSA-N 0 0 465.598 4.543 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1OC ZINC001443862025 1066377346 /nfs/dbraw/zinc/37/73/46/1066377346.db2.gz FBUTYMNONKQCOT-DLBZAZTESA-N 0 0 457.571 4.616 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(C)CC(F)(F)C3)c2)cc1C ZINC001455266002 1066377391 /nfs/dbraw/zinc/37/73/91/1066377391.db2.gz AVTCJMPYHRZUAN-UHFFFAOYSA-N 0 0 456.942 4.923 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)c1cc(N2CCOCC2)ccn1 ZINC001455267791 1066377420 /nfs/dbraw/zinc/37/74/20/1066377420.db2.gz PTOQZNKDSLFPAM-UHFFFAOYSA-N 0 0 455.917 4.775 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCCOC2)c1 ZINC001361124150 1066377590 /nfs/dbraw/zinc/37/75/90/1066377590.db2.gz YJHSAQLZRJIYBM-FGZHOGPDSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CC3)n2CC(=O)NC2CCCCC2)c1 ZINC001361124173 1066377679 /nfs/dbraw/zinc/37/76/79/1066377679.db2.gz YVYRUGDTMOLXFC-UHFFFAOYSA-N 0 0 453.631 4.584 20 0 JJADRN O=C(CNc1ccccc1Cl)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001443866165 1066378199 /nfs/dbraw/zinc/37/81/99/1066378199.db2.gz LSBSONZDPJGTSR-UHFFFAOYSA-N 0 0 450.894 4.643 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC001455275230 1066378852 /nfs/dbraw/zinc/37/88/52/1066378852.db2.gz OWCLQRQHXUDOAJ-UHFFFAOYSA-N 0 0 450.377 4.840 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001455276446 1066378966 /nfs/dbraw/zinc/37/89/66/1066378966.db2.gz SEASLSXLEZRDHB-DLBZAZTESA-N 0 0 456.505 4.985 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873644 1066379236 /nfs/dbraw/zinc/37/92/36/1066379236.db2.gz AFGBBDZDBLFMKY-MRXNPFEDSA-N 0 0 457.899 4.951 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@H](Cc3ccccc3)c3cccs3)n2)c1 ZINC001443872995 1066379349 /nfs/dbraw/zinc/37/93/49/1066379349.db2.gz NZPJXWPQIOHGEG-LJQANCHMSA-N 0 0 451.573 4.999 20 0 JJADRN Cc1ccnc(-c2noc(CC3CCN(C(=O)[C@@H](C)CSc4ccc(F)cc4)CC3)n2)c1 ZINC001455278083 1066379522 /nfs/dbraw/zinc/37/95/22/1066379522.db2.gz YJPUUVCJGSZHPZ-KRWDZBQOSA-N 0 0 454.571 4.789 20 0 JJADRN CNc1cc(I)ccc1C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001455280705 1066379806 /nfs/dbraw/zinc/37/98/06/1066379806.db2.gz HPDLVXGBBWHNKZ-GOEBONIOSA-N 0 0 460.237 4.638 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)CCCCN1CCOCC1 ZINC001455282329 1066379836 /nfs/dbraw/zinc/37/98/36/1066379836.db2.gz LLZLSNGLZOVTRZ-UHFFFAOYSA-N 0 0 452.929 4.871 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361125806 1066380215 /nfs/dbraw/zinc/38/02/15/1066380215.db2.gz DYDPQFWVUSFCHM-NRFANRHFSA-N 0 0 492.668 4.802 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)OC ZINC001545962999 1066380323 /nfs/dbraw/zinc/38/03/23/1066380323.db2.gz OAAYKEVNFQWDOS-AEFFLSMTSA-N 0 0 459.616 4.603 20 0 JJADRN COC(=O)[C@@H]1[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)C1(F)F ZINC001455284879 1066380567 /nfs/dbraw/zinc/38/05/67/1066380567.db2.gz MTZHMUKFJFXZGI-HOCLYGCPSA-N 0 0 463.399 4.780 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CC(C)C)c1 ZINC001361125942 1066380641 /nfs/dbraw/zinc/38/06/41/1066380641.db2.gz HROKDJIEZNNYMM-OAQYLSRUSA-N 0 0 456.631 4.719 20 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Cc1cc(C)c(-c2cc(NC(=O)[C@H](NC(=O)NCc3ccc(F)cc3)C(C)C)n[nH]2)cc1C ZINC001455299541 1066381554 /nfs/dbraw/zinc/38/15/54/1066381554.db2.gz DYSBNTQJESSMRI-HSZRJFAPSA-N 0 0 451.546 4.604 20 0 JJADRN COc1ccccc1-c1cc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)n[nH]1 ZINC001455297777 1066381864 /nfs/dbraw/zinc/38/18/64/1066381864.db2.gz DDEBFYSZMJPABA-XMMPIXPASA-N 0 0 456.502 4.692 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCCCCC[C@H]43)n2CCC(=O)N(C)C)c1 ZINC001361126178 1066382295 /nfs/dbraw/zinc/38/22/95/1066382295.db2.gz MQVJXUWGKUQVRH-FYYLOGMGSA-N 0 0 467.658 4.926 20 0 JJADRN O=C(c1c(O)cnc2c(Br)cccc21)N(Cc1ccccc1)CC1CCOCC1 ZINC001443897246 1066382425 /nfs/dbraw/zinc/38/24/25/1066382425.db2.gz LEVBKXQDDDBGST-UHFFFAOYSA-N 0 0 455.352 4.772 20 0 JJADRN O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001455312242 1066382726 /nfs/dbraw/zinc/38/27/26/1066382726.db2.gz RAONRONAXYTILK-HSZRJFAPSA-N 0 0 457.313 4.746 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1 ZINC001455319023 1066383306 /nfs/dbraw/zinc/38/33/06/1066383306.db2.gz YYDSTIFWDVPPJV-GOSISDBHSA-N 0 0 453.367 4.540 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC001455342018 1066383887 /nfs/dbraw/zinc/38/38/87/1066383887.db2.gz UKKVMPBABSADMY-OAHLLOKOSA-N 0 0 458.942 4.914 20 0 JJADRN CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC001455342014 1066383958 /nfs/dbraw/zinc/38/39/58/1066383958.db2.gz UKKVMPBABSADMY-HNNXBMFYSA-N 0 0 458.942 4.914 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(OCc2ccccn2)cc1)C1CCCCC1 ZINC001443905325 1066384003 /nfs/dbraw/zinc/38/40/03/1066384003.db2.gz AAYVAHHMFPPWLL-QHCPKHFHSA-N 0 0 453.583 4.864 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(Cc3cccs3)C(C)C)n2C[C@@]2(O)CCOC2)c1 ZINC001361126443 1066384094 /nfs/dbraw/zinc/38/40/94/1066384094.db2.gz RRJZYCIXBVWJAQ-SANMLTNESA-N 0 0 484.666 4.917 20 0 JJADRN COCC[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1cccnc1 ZINC001455355093 1066384239 /nfs/dbraw/zinc/38/42/39/1066384239.db2.gz KVOJVCXYXDRKBB-SFHVURJKSA-N 0 0 458.381 4.898 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc2ncn(C(C)C)c2c1 ZINC001455355191 1066384301 /nfs/dbraw/zinc/38/43/01/1066384301.db2.gz QRKPLIBRRRWSFK-QGZVFWFLSA-N 0 0 459.637 4.598 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](COC)C3)c2)cc1 ZINC001443909340 1066384312 /nfs/dbraw/zinc/38/43/12/1066384312.db2.gz PCMLTNNWSDBVKZ-OAQYLSRUSA-N 0 0 458.624 4.637 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1nc(/C=C/c2ccccc2)cs1)c1cnn(C)c1 ZINC001443909695 1066384877 /nfs/dbraw/zinc/38/48/77/1066384877.db2.gz ILAMQKYWOFOMRI-TZZQJPOUSA-N 0 0 453.568 4.594 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001361126607 1066385209 /nfs/dbraw/zinc/38/52/09/1066385209.db2.gz WBUISAPZDMBQLA-UHFFFAOYSA-N 0 0 488.698 4.739 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)nn1-c1ccccc1Br ZINC001455378584 1066385265 /nfs/dbraw/zinc/38/52/65/1066385265.db2.gz PZBWBLUHUIZDSD-TZIWHRDSSA-N 0 0 470.367 4.566 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC001455378697 1066385335 /nfs/dbraw/zinc/38/53/35/1066385335.db2.gz QUKWJBUMCRULPG-XNMGPUDCSA-N 0 0 461.606 4.798 20 0 JJADRN C[C@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455389098 1066385409 /nfs/dbraw/zinc/38/54/09/1066385409.db2.gz QHFCNBWLBIJAQL-QLXKLKPCSA-N 0 0 455.599 4.706 20 0 JJADRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443922806 1066385604 /nfs/dbraw/zinc/38/56/04/1066385604.db2.gz WIEAVTSRLNINDZ-HOYKHHGWSA-N 0 0 455.640 4.660 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)/C(=C\c1ccccc1OC)c1ccccc1)C2 ZINC001455397378 1066385744 /nfs/dbraw/zinc/38/57/44/1066385744.db2.gz COSQGGXDOSHPTO-QJOMJCCJSA-N 0 0 457.526 4.616 20 0 JJADRN COc1ccc(Br)c(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c1 ZINC001455394831 1066385984 /nfs/dbraw/zinc/38/59/84/1066385984.db2.gz VEQQVPNEFKFHRL-UHFFFAOYSA-N 0 0 453.308 4.874 20 0 JJADRN COc1c(N)c(C(=O)NCc2ccc3ncn(C(C)C)c3c2)cc(Cl)c1Br ZINC001455397865 1066386061 /nfs/dbraw/zinc/38/60/61/1066386061.db2.gz NIYQFUFWTIBBPV-UHFFFAOYSA-N 0 0 451.752 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC001443933544 1066386357 /nfs/dbraw/zinc/38/63/57/1066386357.db2.gz LUCPGOBTXROSSY-INIZCTEOSA-N 0 0 450.942 4.842 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)C(C)(C)C ZINC001443928741 1066386462 /nfs/dbraw/zinc/38/64/62/1066386462.db2.gz AYDDMERKQXWVRC-QGZVFWFLSA-N 0 0 452.958 4.992 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ccn(C)n2)c1 ZINC001361127129 1066386700 /nfs/dbraw/zinc/38/67/00/1066386700.db2.gz FRUYRLISTMXLAE-JOCHJYFZSA-N 0 0 480.657 4.855 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncccc2N(C)C)C1 ZINC001546072343 1066386947 /nfs/dbraw/zinc/38/69/47/1066386947.db2.gz CVMJRRYIBURWDS-DCFHFQCYSA-N 0 0 497.688 4.528 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361127133 1066387250 /nfs/dbraw/zinc/38/72/50/1066387250.db2.gz FSPKDNMLUDITGG-QHCPKHFHSA-N 0 0 495.668 4.676 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(CC(C)C)CC2)c1 ZINC001361127262 1066387333 /nfs/dbraw/zinc/38/73/33/1066387333.db2.gz GLMJTMGTPGNDBU-OAQYLSRUSA-N 0 0 488.698 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cnc2c(F)ccc(F)c2c1 ZINC001455410444 1066387310 /nfs/dbraw/zinc/38/73/10/1066387310.db2.gz IZVQIVSGHRBZKX-SFHVURJKSA-N 0 0 453.489 4.605 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCOC(C)C)c1 ZINC001361127305 1066387881 /nfs/dbraw/zinc/38/78/81/1066387881.db2.gz HGFWYBPYHVHGHC-JOCHJYFZSA-N 0 0 499.700 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCOc3ccccc3-c3ccccc3)C2)CC1 ZINC001455416488 1066387903 /nfs/dbraw/zinc/38/79/03/1066387903.db2.gz MDNHKTKMURMXST-UHFFFAOYSA-N 0 0 450.579 4.982 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CSc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001443962041 1066387954 /nfs/dbraw/zinc/38/79/54/1066387954.db2.gz FCDYRHVZVSLCIZ-HXUWFJFHSA-N 0 0 454.636 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC001455411945 1066388030 /nfs/dbraw/zinc/38/80/30/1066388030.db2.gz KETPOJNABCOXQG-LADGPHEKSA-N 0 0 450.579 4.559 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC[C@H]2COCCO2)c1 ZINC001361127504 1066388388 /nfs/dbraw/zinc/38/83/88/1066388388.db2.gz KFPKULTVGNMZCK-GMAHTHKFSA-N 0 0 456.631 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)CCC[C@H]12 ZINC001443967146 1066388507 /nfs/dbraw/zinc/38/85/07/1066388507.db2.gz ABZWSHMTGQXKFZ-WCAVRKLYSA-N 0 0 467.532 4.580 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)cc2)cc1 ZINC001443966765 1066388612 /nfs/dbraw/zinc/38/86/12/1066388612.db2.gz JREUSAXEPXFIJB-UHFFFAOYSA-N 0 0 455.436 4.910 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CNC(=O)c1ccc(C)s1 ZINC001443964347 1066388704 /nfs/dbraw/zinc/38/87/04/1066388704.db2.gz GRZVXMJFLMRBCB-UHFFFAOYSA-N 0 0 458.923 4.657 20 0 JJADRN Cc1ccccc1[C@H](CC(C)C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001443968358 1066389261 /nfs/dbraw/zinc/38/92/61/1066389261.db2.gz PTTZYWYESAJKGB-DEOSSOPVSA-N 0 0 457.640 4.631 20 0 JJADRN O=C(NCc1ccc(O)c(Cl)c1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001455439008 1066389713 /nfs/dbraw/zinc/38/97/13/1066389713.db2.gz FJKIUQMXBIMLTO-UHFFFAOYSA-N 0 0 459.727 4.990 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361127650 1066389644 /nfs/dbraw/zinc/38/96/44/1066389644.db2.gz MQQISODNUHWKDS-ZWKOTPCHSA-N 0 0 466.548 4.839 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C2CC2)c1 ZINC001361127722 1066389658 /nfs/dbraw/zinc/38/96/58/1066389658.db2.gz OIMBFQFVNXPZAK-IBGZPJMESA-N 0 0 453.631 4.755 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545963473 1066389529 /nfs/dbraw/zinc/38/95/29/1066389529.db2.gz WYKCUQXJRUYNIU-LEWJYISDSA-N 0 0 471.646 4.771 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC001545963479 1066389646 /nfs/dbraw/zinc/38/96/46/1066389646.db2.gz WZSGIYZZYMARAQ-AZUAARDMSA-N 0 0 464.488 4.868 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCSc1ncnc3sc(C)c(C)c31)CC2 ZINC001455430299 1066389806 /nfs/dbraw/zinc/38/98/06/1066389806.db2.gz BSIICQZEWPFLBB-AWEZNQCLSA-N 0 0 457.621 4.953 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001443974757 1066389861 /nfs/dbraw/zinc/38/98/61/1066389861.db2.gz QNIQZEPMJTXJOW-CQSZACIVSA-N 0 0 452.885 4.835 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001443986126 1066390111 /nfs/dbraw/zinc/39/01/11/1066390111.db2.gz YLUDTNTUSLIYRM-CYSDGLOUSA-N 0 0 450.604 4.547 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001455441121 1066390428 /nfs/dbraw/zinc/39/04/28/1066390428.db2.gz PKNJBFMPCJITHG-UHFFFAOYSA-N 0 0 455.620 4.757 20 0 JJADRN C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455444414 1066390911 /nfs/dbraw/zinc/39/09/11/1066390911.db2.gz GIFDTHDULHLNLF-LVSLUVSOSA-N 0 0 456.627 4.977 20 0 JJADRN CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001443987020 1066390974 /nfs/dbraw/zinc/39/09/74/1066390974.db2.gz BIJHDSATIKQHHO-UHFFFAOYSA-N 0 0 458.603 4.612 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC001443989507 1066391314 /nfs/dbraw/zinc/39/13/14/1066391314.db2.gz PMEJYYATLQDCFP-QHCPKHFHSA-N 0 0 455.352 4.620 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cnc(Cc2ccccc2F)s1)c1ccccc1 ZINC001443993575 1066391726 /nfs/dbraw/zinc/39/17/26/1066391726.db2.gz JVZHOLDUAHXBPB-IBGZPJMESA-N 0 0 455.555 4.869 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Br)c(F)c1 ZINC001443993747 1066391926 /nfs/dbraw/zinc/39/19/26/1066391926.db2.gz PEDJHBVFSBXKMR-INIZCTEOSA-N 0 0 459.768 4.732 20 0 JJADRN Cc1ccc(C2(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CCOCC2)cc1C ZINC001443991134 1066392001 /nfs/dbraw/zinc/39/20/01/1066392001.db2.gz HLMKWNPJHHZFCO-HSZRJFAPSA-N 0 0 452.595 4.734 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC001455461404 1066393126 /nfs/dbraw/zinc/39/31/26/1066393126.db2.gz CTXWDQYBWDQSPW-NRFANRHFSA-N 0 0 451.464 4.712 20 0 JJADRN CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001455462043 1066393299 /nfs/dbraw/zinc/39/32/99/1066393299.db2.gz FIZSJQUZYZVARP-DYESRHJHSA-N 0 0 457.640 4.888 20 0 JJADRN Cc1noc([C@H](C)N2CCN(c3nnc(COc4cc(C)ccc4C(C)C)n3CCC(C)C)CC2)n1 ZINC001361129762 1066393948 /nfs/dbraw/zinc/39/39/48/1066393948.db2.gz DBNODSHFAUQIPE-NRFANRHFSA-N 0 0 495.672 4.910 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@H](C[S@@](C)=O)c3ccccc3)cc12 ZINC001444006394 1066393874 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Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C(C)C)ns3)c2)c1 ZINC001455478537 1066396587 /nfs/dbraw/zinc/39/65/87/1066396587.db2.gz AYNUXEUPENBDRB-UHFFFAOYSA-N 0 0 450.973 4.676 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1 ZINC001444036589 1066396740 /nfs/dbraw/zinc/39/67/40/1066396740.db2.gz XOFKCZWFNUGYOD-ONTRVFCTSA-N 0 0 456.999 4.799 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCCc1c[nH]c2c1cccc2CC ZINC001444032756 1066396878 /nfs/dbraw/zinc/39/68/78/1066396878.db2.gz IBLXFYIXPGZSCI-QGZVFWFLSA-N 0 0 458.649 4.754 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)ccc2C)cc1 ZINC001444037410 1066397096 /nfs/dbraw/zinc/39/70/96/1066397096.db2.gz UIJHXXWVFVDBIT-XQBPLPMBSA-N 0 0 456.608 4.893 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@H]2CCOC2)c1 ZINC001361131016 1066397208 /nfs/dbraw/zinc/39/72/08/1066397208.db2.gz VRRAXMJGSMDDMD-URXFXBBRSA-N 0 0 456.631 4.577 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)ccc2C)cc1 ZINC001444037395 1066397301 /nfs/dbraw/zinc/39/73/01/1066397301.db2.gz UIJHXXWVFVDBIT-CNNODRBYSA-N 0 0 456.608 4.893 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)/C=C\c3ccccc3OC(F)(F)F)CC2)cs1 ZINC001444042185 1066397414 /nfs/dbraw/zinc/39/74/14/1066397414.db2.gz XNHIJKZBAANHKM-FPLPWBNLSA-N 0 0 453.530 4.646 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001444061455 1066398372 /nfs/dbraw/zinc/39/83/72/1066398372.db2.gz HIIHYLBHHYBWGB-MBSDFSHPSA-N 0 0 452.601 4.806 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC4(CC4)C3)n2CCCOC(F)(F)F)c1 ZINC001361131159 1066398233 /nfs/dbraw/zinc/39/82/33/1066398233.db2.gz ANRWGEYPOYIPGX-UHFFFAOYSA-N 0 0 482.547 4.832 20 0 JJADRN COc1ccc(C[C@@](C)(CO)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 ZINC001455502952 1066398705 /nfs/dbraw/zinc/39/87/05/1066398705.db2.gz MPZJGNBTJJBYJY-QHCPKHFHSA-N 0 0 453.589 4.834 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001361131346 1066398721 /nfs/dbraw/zinc/39/87/21/1066398721.db2.gz FSHSBFKEWLFCSI-IRXDYDNUSA-N 0 0 472.684 4.827 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001361131345 1066398808 /nfs/dbraw/zinc/39/88/08/1066398808.db2.gz FSHSBFKEWLFCSI-IAGOWNOFSA-N 0 0 472.684 4.827 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(CCC(F)(F)F)CC2CC2)cc1 ZINC001361131380 1066399073 /nfs/dbraw/zinc/39/90/73/1066399073.db2.gz GRIADNIMEWCXOE-SFHVURJKSA-N 0 0 463.548 4.795 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001455504190 1066399235 /nfs/dbraw/zinc/39/92/35/1066399235.db2.gz OWSXJOGXWIFORA-RBUKOAKNSA-N 0 0 455.640 4.613 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCC2CCOCC2)c1 ZINC001361131478 1066399412 /nfs/dbraw/zinc/39/94/12/1066399412.db2.gz JDWPQZOKUPTODD-QPPBQGQZSA-N 0 0 470.658 4.703 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 ZINC001361131509 1066399449 /nfs/dbraw/zinc/39/94/49/1066399449.db2.gz JURGTCBDCUSETK-IEBWSBKVSA-N 0 0 454.525 4.519 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1 ZINC001444069316 1066399585 /nfs/dbraw/zinc/39/95/85/1066399585.db2.gz OTSKROLKWHXSQL-UHFFFAOYSA-N 0 0 457.551 4.535 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2Nc2ccn(C)n2)s1 ZINC001361131646 1066399966 /nfs/dbraw/zinc/39/99/66/1066399966.db2.gz NFROITVZHGGNHV-UHFFFAOYSA-N 0 0 451.600 4.888 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC001444073323 1066400139 /nfs/dbraw/zinc/40/01/39/1066400139.db2.gz GYGVJDQGTPFMJG-PMERELPUSA-N 0 0 452.960 4.826 20 0 JJADRN CC(C)c1ccc(OCCC(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc1 ZINC001444077389 1066400157 /nfs/dbraw/zinc/40/01/57/1066400157.db2.gz FNUGQHWGGHAQTN-GOSISDBHSA-N 0 0 454.596 4.596 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC001444075905 1066400324 /nfs/dbraw/zinc/40/03/24/1066400324.db2.gz LNRBHVVCDPTAFS-KRWDZBQOSA-N 0 0 458.425 4.879 20 0 JJADRN COc1ccccc1NCC(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001455509713 1066400779 /nfs/dbraw/zinc/40/07/79/1066400779.db2.gz LBJKWRVDXPGIJP-DENIHFKCSA-N 0 0 459.631 4.819 20 0 JJADRN C[C@@H]1CCc2[nH]nc(C(=O)N3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001455510104 1066400965 /nfs/dbraw/zinc/40/09/65/1066400965.db2.gz MQVBDFBQBBIXFW-FGSXEWAUSA-N 0 0 458.647 4.860 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CCSCC(F)(F)F)c1 ZINC001361131962 1066401540 /nfs/dbraw/zinc/40/15/40/1066401540.db2.gz RRFGVEJPRLXEMA-QGZVFWFLSA-N 0 0 472.577 4.810 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CCSCC(F)(F)F)c1 ZINC001361131961 1066401616 /nfs/dbraw/zinc/40/16/16/1066401616.db2.gz RRFGVEJPRLXEMA-KRWDZBQOSA-N 0 0 472.577 4.810 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2CCOc2ncccc2Cl)c1 ZINC001361132213 1066401740 /nfs/dbraw/zinc/40/17/40/1066401740.db2.gz WEXCWVZSFLDXEV-IBGZPJMESA-N 0 0 486.016 4.641 20 0 JJADRN CCOc1cccc(CC(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001455510426 1066401676 /nfs/dbraw/zinc/40/16/76/1066401676.db2.gz NBPYUPSUGSXEMU-DENIHFKCSA-N 0 0 459.631 4.735 20 0 JJADRN CCOc1cccc(CC(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001455510434 1066401692 /nfs/dbraw/zinc/40/16/92/1066401692.db2.gz NBPYUPSUGSXEMU-UGKGYDQZSA-N 0 0 459.631 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)C1 ZINC001444083359 1066401771 /nfs/dbraw/zinc/40/17/71/1066401771.db2.gz PIGQDNBVGHGBFV-FUHWJXTLSA-N 0 0 453.624 4.742 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC001444081312 1066401783 /nfs/dbraw/zinc/40/17/83/1066401783.db2.gz NEMPUYBFUKOKNK-XMMPIXPASA-N 0 0 452.549 4.985 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001361132471 1066402336 /nfs/dbraw/zinc/40/23/36/1066402336.db2.gz ZCCHMYTVMJTDBO-PMACEKPBSA-N 0 0 452.603 4.971 20 0 JJADRN Cc1cccc(C2(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C3)CCCC2)c1 ZINC001455514975 1066402281 /nfs/dbraw/zinc/40/22/81/1066402281.db2.gz INOJMOGADJRCMT-MJGOQNOKSA-N 0 0 454.533 4.968 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)cc1 ZINC001444084739 1066402366 /nfs/dbraw/zinc/40/23/66/1066402366.db2.gz PZSRQUNKIXVONC-UHFFFAOYSA-N 0 0 452.551 4.987 20 0 JJADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(OC4CCCCC4)cc3)cc(C(C)C)nc21 ZINC001444087166 1066403114 /nfs/dbraw/zinc/40/31/14/1066403114.db2.gz UXBCRNIMNLBYAV-UHFFFAOYSA-N 0 0 450.539 4.604 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 ZINC001361132661 1066403075 /nfs/dbraw/zinc/40/30/75/1066403075.db2.gz AFBOXGBTDUOQEG-VQTJNVASSA-N 0 0 451.792 4.743 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)CC2)cc1 ZINC001361132765 1066403247 /nfs/dbraw/zinc/40/32/47/1066403247.db2.gz UMBJIKKWQXQBEP-UHFFFAOYSA-N 0 0 451.567 4.973 20 0 JJADRN CO[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 ZINC001361132662 1066403351 /nfs/dbraw/zinc/40/33/51/1066403351.db2.gz AFBOXGBTDUOQEG-WOJBJXKFSA-N 0 0 451.792 4.743 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)cc1 ZINC001361133312 1066403881 /nfs/dbraw/zinc/40/38/81/1066403881.db2.gz NLEYYHQOJMLJMB-SFHVURJKSA-N 0 0 453.384 4.650 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)nn1-c1ccccc1C(C)C ZINC001361132924 1066403907 /nfs/dbraw/zinc/40/39/07/1066403907.db2.gz WZKNEVJCURLTOZ-UHFFFAOYSA-N 0 0 455.518 4.843 20 0 JJADRN COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001455531708 1066404843 /nfs/dbraw/zinc/40/48/43/1066404843.db2.gz MUQNZEOKOXLWEJ-BTYIYWSLSA-N 0 0 458.605 4.613 20 0 JJADRN O=C(N[C@@H]1CCc2c1cccc2O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001444092037 1066404771 /nfs/dbraw/zinc/40/47/71/1066404771.db2.gz VIJHJRZSQVFYOO-CQSZACIVSA-N 0 0 457.239 4.716 20 0 JJADRN COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)c1 ZINC001455531697 1066405013 /nfs/dbraw/zinc/40/50/13/1066405013.db2.gz MTGAWCCLKSWHQB-RBZFPXEDSA-N 0 0 456.366 4.654 20 0 JJADRN Cc1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)nn1-c1ccccc1Cl ZINC001455531147 1066405047 /nfs/dbraw/zinc/40/50/47/1066405047.db2.gz CYIMHYSNBWRZRK-HYBUGGRVSA-N 0 0 458.990 4.744 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccoc2)cc1 ZINC001361134144 1066405638 /nfs/dbraw/zinc/40/56/38/1066405638.db2.gz GZDRFDPASRFMMO-NFBKMPQASA-N 0 0 495.624 4.928 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)cc1 ZINC001361134450 1066406295 /nfs/dbraw/zinc/40/62/95/1066406295.db2.gz JTTUIDMVECYEHP-MRXNPFEDSA-N 0 0 469.387 4.783 20 0 JJADRN C[C@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Br)cc1 ZINC001455534224 1066406713 /nfs/dbraw/zinc/40/67/13/1066406713.db2.gz XYHRWXNRIDDGJP-QXATTWAWSA-N 0 0 451.405 4.849 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001444107677 1066406841 /nfs/dbraw/zinc/40/68/41/1066406841.db2.gz AKHMAZUQDUCNIS-JPZYQRIQSA-N 0 0 451.569 4.654 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC001444103769 1066406921 /nfs/dbraw/zinc/40/69/21/1066406921.db2.gz XGZCHHQWKCYJMH-HXOBKFHXSA-N 0 0 457.412 4.944 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)c1cc3ccc(C(F)(F)F)cc3[nH]1)O2 ZINC001455538873 1066407785 /nfs/dbraw/zinc/40/77/85/1066407785.db2.gz KBTJIGBKZMDKLL-RPYGNYITSA-N 0 0 452.473 4.586 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001361134926 1066407796 /nfs/dbraw/zinc/40/77/96/1066407796.db2.gz OFFQVTYKZUMYJE-HXUWFJFHSA-N 0 0 462.598 4.509 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361135069 1066408567 /nfs/dbraw/zinc/40/85/67/1066408567.db2.gz PAWZGVBDZLWBDC-PMACEKPBSA-N 0 0 453.631 4.961 20 0 JJADRN O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001444115567 1066408616 /nfs/dbraw/zinc/40/86/16/1066408616.db2.gz LGQMQXDXNFGZDK-UHFFFAOYSA-N 0 0 457.498 4.681 20 0 JJADRN CC[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](O)c1ccccc1 ZINC001455542726 1066408811 /nfs/dbraw/zinc/40/88/11/1066408811.db2.gz MTZWUEIYADPOHD-FXAWDEMLSA-N 0 0 457.324 4.536 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001361135537 1066409262 /nfs/dbraw/zinc/40/92/62/1066409262.db2.gz FCPZOLPTGMYUPZ-UHFFFAOYSA-N 0 0 458.562 4.704 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC)NC(=O)OC(C)(C)C ZINC001545964570 1066410379 /nfs/dbraw/zinc/41/03/79/1066410379.db2.gz GVMJHTBUCOABQV-HNNXBMFYSA-N 0 0 484.414 4.996 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001455558071 1066410374 /nfs/dbraw/zinc/41/03/74/1066410374.db2.gz ASUYSEGZGFEWGD-IBGZPJMESA-N 0 0 457.357 4.867 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001361136195 1066410334 /nfs/dbraw/zinc/41/03/34/1066410334.db2.gz VWFUAUSBZYYZOD-DBXWQHBBSA-N 0 0 459.516 4.532 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)COc2ccc3ccccc3c2Br)C[C@H]1C1CC1 ZINC001455559531 1066410458 /nfs/dbraw/zinc/41/04/58/1066410458.db2.gz MVOKRRYEIBDPEC-RBUKOAKNSA-N 0 0 474.395 4.807 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C[C@H]1C1CC1 ZINC001455557884 1066410486 /nfs/dbraw/zinc/41/04/86/1066410486.db2.gz DZEPEWBLPRKTSJ-DLBZAZTESA-N 0 0 450.457 4.800 20 0 JJADRN COc1cc(C(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC ZINC001361136579 1066410676 /nfs/dbraw/zinc/41/06/76/1066410676.db2.gz RVQWZSUNPZOPRW-UHFFFAOYSA-N 0 0 455.894 4.862 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC001455560645 1066410766 /nfs/dbraw/zinc/41/07/66/1066410766.db2.gz SMUSNEWSRMLONZ-XOKHGSTOSA-N 0 0 454.380 4.908 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC001455560725 1066410789 /nfs/dbraw/zinc/41/07/89/1066410789.db2.gz UPMVVAOLBYYEGY-XUVXKRRUSA-N 0 0 479.017 4.732 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3COC(C)(C)C)C2)c2ccccc12 ZINC001455566076 1066410810 /nfs/dbraw/zinc/41/08/10/1066410810.db2.gz CGKFBNKMWFRFPE-VQTJNVASSA-N 0 0 452.595 4.507 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3C[C@H](C)S[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361136702 1066410902 /nfs/dbraw/zinc/41/09/02/1066410902.db2.gz TWDFCDKGKZODAP-VWEIPLKFSA-N 0 0 458.672 4.761 20 0 JJADRN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001455567516 1066411822 /nfs/dbraw/zinc/41/18/22/1066411822.db2.gz DGEVXUHKQOXCMW-UHFFFAOYSA-N 0 0 457.983 4.511 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1ccccc1C(=O)N1CCC[C@@H](O)C1 ZINC001455567852 1066411867 /nfs/dbraw/zinc/41/18/67/1066411867.db2.gz GEPABJQTVQOOMR-OAQYLSRUSA-N 0 0 452.595 4.687 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCO[C@H](C)C2)cc1 ZINC001361136835 1066411844 /nfs/dbraw/zinc/41/18/44/1066411844.db2.gz UXKVQSQZBRVDML-PABCKOPISA-N 0 0 483.657 4.776 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361137237 1066412197 /nfs/dbraw/zinc/41/21/97/1066412197.db2.gz ZJWDSQLORIGKJO-DFHRPNOPSA-N 0 0 492.668 4.981 20 0 JJADRN CCn1c2ccc(C(=O)NCCCCCC3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]c1=O ZINC001455583606 1066412402 /nfs/dbraw/zinc/41/24/02/1066412402.db2.gz BTAFWHPKZGEXSS-UHFFFAOYSA-N 0 0 458.603 4.699 20 0 JJADRN Cc1ccccc1C1=NO[C@H](C(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001455584208 1066412576 /nfs/dbraw/zinc/41/25/76/1066412576.db2.gz FYQOLXHYBDSMEF-QHCPKHFHSA-N 0 0 457.615 4.812 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3nn(-c4ccccc4F)cc3Br)CC2)cc1 ZINC001361137425 1066413026 /nfs/dbraw/zinc/41/30/26/1066413026.db2.gz BMRROUMTSYEZIO-UHFFFAOYSA-N 0 0 458.331 4.802 20 0 JJADRN O=C(Nc1cnn(CC(F)F)c1)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001444137660 1066413177 /nfs/dbraw/zinc/41/31/77/1066413177.db2.gz NJGVWECYIZIPLN-SFHVURJKSA-N 0 0 454.246 4.809 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)CCCCC2)cc1OC ZINC001444137600 1066413228 /nfs/dbraw/zinc/41/32/28/1066413228.db2.gz PYXGEIDGFGUVLX-FOIQADDNSA-N 0 0 480.531 4.840 20 0 JJADRN O=C(Nc1cnn(CC(F)F)c1)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001444137653 1066413293 /nfs/dbraw/zinc/41/32/93/1066413293.db2.gz NJGVWECYIZIPLN-GOSISDBHSA-N 0 0 454.246 4.809 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC001361138450 1066413625 /nfs/dbraw/zinc/41/36/25/1066413625.db2.gz QCCFNFFUKFACQE-UHFFFAOYSA-N 0 0 458.921 4.984 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1C ZINC001444139796 1066413862 /nfs/dbraw/zinc/41/38/62/1066413862.db2.gz SGFYLSUWERTYSM-VWLOTQADSA-N 0 0 458.558 4.939 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1C ZINC001444139789 1066413902 /nfs/dbraw/zinc/41/39/02/1066413902.db2.gz SGFYLSUWERTYSM-RUZDIDTESA-N 0 0 458.558 4.939 20 0 JJADRN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc2CC1 ZINC001444139207 1066413925 /nfs/dbraw/zinc/41/39/25/1066413925.db2.gz KXPFTMNRWQAESD-UHFFFAOYSA-N 0 0 458.942 4.521 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(CSC2CCCCC2)c1 ZINC001444139969 1066413966 /nfs/dbraw/zinc/41/39/66/1066413966.db2.gz SVPQJQAEESGNGM-UHFFFAOYSA-N 0 0 453.029 4.823 20 0 JJADRN O=C(CCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)o1 ZINC001546074120 1066414067 /nfs/dbraw/zinc/41/40/67/1066414067.db2.gz HWILEKXMGYMDQI-FQEVSTJZSA-N 0 0 459.333 4.878 20 0 JJADRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001361139304 1066414465 /nfs/dbraw/zinc/41/44/65/1066414465.db2.gz ZKXCORGQLGARLM-DEOSSOPVSA-N 0 0 451.448 4.769 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)C[C@H]21 ZINC001546074222 1066414611 /nfs/dbraw/zinc/41/46/11/1066414611.db2.gz LFSVYVJBTKAQQJ-WRTQPQOASA-N 0 0 479.662 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC001455607923 1066414646 /nfs/dbraw/zinc/41/46/46/1066414646.db2.gz SPJYIVZCRLTFDH-QGZVFWFLSA-N 0 0 459.537 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)C[C@@H]21 ZINC001546074220 1066414964 /nfs/dbraw/zinc/41/49/64/1066414964.db2.gz LFSVYVJBTKAQQJ-ALGQRKQJSA-N 0 0 479.662 4.612 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)CO1 ZINC001455618263 1066415575 /nfs/dbraw/zinc/41/55/75/1066415575.db2.gz DCAYHUCZUNIMEG-CABCVRRESA-N 0 0 452.523 4.638 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CC[C@@]4(C3)CN(C(=O)OC(C)(C)C)CCO4)c(F)c2)cc1 ZINC001455617030 1066415597 /nfs/dbraw/zinc/41/55/97/1066415597.db2.gz BHZZIEZJRWWRJY-AREMUKBSSA-N 0 0 454.542 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC001455618107 1066415672 /nfs/dbraw/zinc/41/56/72/1066415672.db2.gz NKXHUBRYNCRIFA-UHFFFAOYSA-N 0 0 457.502 4.855 20 0 JJADRN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC001444144282 1066416144 /nfs/dbraw/zinc/41/61/44/1066416144.db2.gz JLJFOIHRJPNYIB-OAQYLSRUSA-N 0 0 457.014 4.862 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1)Oc1ccccc1F ZINC001545965023 1066416176 /nfs/dbraw/zinc/41/61/76/1066416176.db2.gz OFWCEDHKOCDRKL-WMZOPIPTSA-N 0 0 459.953 4.605 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1)Oc1ccccc1F ZINC001545965021 1066416197 /nfs/dbraw/zinc/41/61/97/1066416197.db2.gz OFWCEDHKOCDRKL-FUHWJXTLSA-N 0 0 459.953 4.605 20 0 JJADRN Cc1cnc(CC(=O)Nc2ccc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)s1 ZINC001455625414 1066416290 /nfs/dbraw/zinc/41/62/90/1066416290.db2.gz JKTXGBWRWWIHGD-UHFFFAOYSA-N 0 0 455.584 4.624 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001546074437 1066416425 /nfs/dbraw/zinc/41/64/25/1066416425.db2.gz QSRSGAKCBJMOOD-QXAKKESOSA-N 0 0 456.612 4.961 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)c1 ZINC001455620596 1066416595 /nfs/dbraw/zinc/41/65/95/1066416595.db2.gz XBTHMPYAKMCZPI-UHFFFAOYSA-N 0 0 456.923 4.872 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)C3(c4ccc(C)cc4)CCC3)c2)cc1 ZINC001444145656 1066417187 /nfs/dbraw/zinc/41/71/87/1066417187.db2.gz IAHFXQDTHNPFFW-UHFFFAOYSA-N 0 0 458.558 4.873 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1Cl ZINC001444145288 1066417226 /nfs/dbraw/zinc/41/72/26/1066417226.db2.gz HLFYODXMLWLVKI-NRFANRHFSA-N 0 0 452.894 4.733 20 0 JJADRN CC(C)C(=O)[C@@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001455631449 1066417409 /nfs/dbraw/zinc/41/74/09/1066417409.db2.gz SFRLRWZADGXLQL-NRFANRHFSA-N 0 0 452.551 4.512 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1)C1CCCC1 ZINC001455627330 1066417441 /nfs/dbraw/zinc/41/74/41/1066417441.db2.gz OCKPTWDPUJVRKG-OAQYLSRUSA-N 0 0 456.587 4.821 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@@H]3CCCc4sccc43)c2)cc1 ZINC001444147861 1066417934 /nfs/dbraw/zinc/41/79/34/1066417934.db2.gz OJUIPJPWQNUZRA-JOCHJYFZSA-N 0 0 450.560 4.624 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(Br)C1)OC ZINC001545965061 1066417982 /nfs/dbraw/zinc/41/79/82/1066417982.db2.gz PAUAFFXIMYGFNY-OAHLLOKOSA-N 0 0 455.784 4.521 20 0 JJADRN O=C(CSc1nc2ccccc2s1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455643989 1066418079 /nfs/dbraw/zinc/41/80/79/1066418079.db2.gz FLLOZUOESFYAAZ-UHFFFAOYSA-N 0 0 453.511 4.872 20 0 JJADRN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455645762 1066418225 /nfs/dbraw/zinc/41/82/25/1066418225.db2.gz LJBVJRSGGUZSPD-UHFFFAOYSA-N 0 0 450.848 4.828 20 0 JJADRN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001444147121 1066418101 /nfs/dbraw/zinc/41/81/01/1066418101.db2.gz OZPUWCOFCONIRX-AWEZNQCLSA-N 0 0 451.430 4.607 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)Oc1ccc(N(C)C(=O)c3ccc(Cl)cc3)cc1)C2 ZINC001361140542 1066418064 /nfs/dbraw/zinc/41/80/64/1066418064.db2.gz AYKYBDVXOFXXPD-SFHVURJKSA-N 0 0 451.906 4.782 20 0 JJADRN O=C(/C=C/c1ccnc2ccccc12)NCCSCCOc1cccc(Br)c1 ZINC001444151464 1066418656 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4.572 20 0 JJADRN CCn1c(SCC(=O)NCc2ccc(Br)cc2C)nnc1-c1cccs1 ZINC001444154970 1066419453 /nfs/dbraw/zinc/41/94/53/1066419453.db2.gz CEBIJTUJMPISCT-UHFFFAOYSA-N 0 0 451.415 4.506 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C ZINC001455651230 1066420150 /nfs/dbraw/zinc/42/01/50/1066420150.db2.gz WNCCAUKNLDXXBN-SVFBPWRDSA-N 0 0 467.610 4.854 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](CC)C3)c2)cc1 ZINC001444155301 1066420292 /nfs/dbraw/zinc/42/02/92/1066420292.db2.gz WTHMUERVNBUZRG-DENIHFKCSA-N 0 0 458.624 4.778 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@@H](CC)C3)c2)cc1 ZINC001444155309 1066420326 /nfs/dbraw/zinc/42/03/26/1066420326.db2.gz WTHMUERVNBUZRG-KNQAVFIVSA-N 0 0 458.624 4.778 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)OC ZINC001545965358 1066420905 /nfs/dbraw/zinc/42/09/05/1066420905.db2.gz WOUOYUNGDDDTRS-FQEVSTJZSA-N 0 0 471.964 4.657 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001455660099 1066420911 /nfs/dbraw/zinc/42/09/11/1066420911.db2.gz CVHVKIOMIUHUKK-ZGKFYVQTSA-N 0 0 456.384 4.980 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1)OC ZINC001545965359 1066420986 /nfs/dbraw/zinc/42/09/86/1066420986.db2.gz WOUOYUNGDDDTRS-HXUWFJFHSA-N 0 0 471.964 4.657 20 0 JJADRN CCC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001455668763 1066421902 /nfs/dbraw/zinc/42/19/02/1066421902.db2.gz ZDWMJFVWVDUJCO-LEWJYISDSA-N 0 0 452.636 4.678 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545965424 1066421862 /nfs/dbraw/zinc/42/18/62/1066421862.db2.gz XJLYIGHQEXGSGF-ROUUACIJSA-N 0 0 495.093 4.875 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001361141726 1066421933 /nfs/dbraw/zinc/42/19/33/1066421933.db2.gz RJWNQHLWIUDBAM-QAPCUYQASA-N 0 0 452.523 4.558 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)NCc3nc(-c4ccncc4)no3)cc2c1 ZINC001444162670 1066422690 /nfs/dbraw/zinc/42/26/90/1066422690.db2.gz CZCLLZMDJWHHOR-UHFFFAOYSA-N 0 0 451.508 4.623 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N(C)C[C@@H](C)c3ccccc3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142349 1066423310 /nfs/dbraw/zinc/42/33/10/1066423310.db2.gz YDFPJRIKFIUHRR-NFBKMPQASA-N 0 0 465.642 4.790 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)cc1 ZINC001455678370 1066423540 /nfs/dbraw/zinc/42/35/40/1066423540.db2.gz PHQQMQHRTKWMME-QGZVFWFLSA-N 0 0 450.505 4.674 20 0 JJADRN O=C(c1coc(C(F)F)c1)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444168167 1066424189 /nfs/dbraw/zinc/42/41/89/1066424189.db2.gz GBMLSVMCZSJDMP-CQSZACIVSA-N 0 0 452.255 4.931 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001361142915 1066424245 /nfs/dbraw/zinc/42/42/45/1066424245.db2.gz JDOVAWGLCSPESV-OYNPSCLESA-N 0 0 450.645 4.618 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C1 ZINC001546075033 1066424286 /nfs/dbraw/zinc/42/42/86/1066424286.db2.gz GDKQSVXZCHEWJF-RUZDIDTESA-N 0 0 454.640 4.939 20 0 JJADRN CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)c1ccccc1 ZINC001444169185 1066424774 /nfs/dbraw/zinc/42/47/74/1066424774.db2.gz MLANPPMTYMURAU-XMMPIXPASA-N 0 0 450.608 4.617 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)cc2)cc1 ZINC001361143510 1066424716 /nfs/dbraw/zinc/42/47/16/1066424716.db2.gz UBMRHIJXQQSEBR-KDYSTLNUSA-N 0 0 456.586 4.820 20 0 JJADRN CCN(C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001455708117 1066424758 /nfs/dbraw/zinc/42/47/58/1066424758.db2.gz ZWPSYZJDSKEXSI-QZTJIDSGSA-N 0 0 455.640 4.516 20 0 JJADRN CCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001455708113 1066424949 /nfs/dbraw/zinc/42/49/49/1066424949.db2.gz ZWPSYZJDSKEXSI-MSOLQXFVSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1nc(C(C)C)oc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444173352 1066425613 /nfs/dbraw/zinc/42/56/13/1066425613.db2.gz KJGBJCSXRFELEP-MRXNPFEDSA-N 0 0 459.344 4.820 20 0 JJADRN COc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)sc1Br ZINC001455718206 1066426752 /nfs/dbraw/zinc/42/67/52/1066426752.db2.gz XRZQXHNWMBRECI-GOSISDBHSA-N 0 0 452.370 4.686 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3[C@@H]4CCC[C@@H]43)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361144797 1066426787 /nfs/dbraw/zinc/42/67/87/1066426787.db2.gz MBXOLPKZQVSLMV-YOEKFXIASA-N 0 0 483.657 4.964 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361144616 1066426890 /nfs/dbraw/zinc/42/68/90/1066426890.db2.gz KDTDGLNKBCBYQO-HSZRJFAPSA-N 0 0 496.700 4.723 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCCCC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361144901 1066426903 /nfs/dbraw/zinc/42/69/03/1066426903.db2.gz NJFABGGTSSEBNT-UHFFFAOYSA-N 0 0 457.619 4.768 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCC2=CCCCC2)c1 ZINC001361144555 1066426973 /nfs/dbraw/zinc/42/69/73/1066426973.db2.gz JHLITDRCLHRWQY-SFTDATJTSA-N 0 0 474.671 4.622 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)c1ccnc(Cl)c1Br)CC2 ZINC001455724540 1066427491 /nfs/dbraw/zinc/42/74/91/1066427491.db2.gz QYVQUQJVBKGIAL-SFHVURJKSA-N 0 0 451.748 4.664 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CC3)n2CCNc2ncc(Cl)cc2Cl)c1 ZINC001361145067 1066427416 /nfs/dbraw/zinc/42/74/16/1066427416.db2.gz OMFMOSHLJZVODS-UHFFFAOYSA-N 0 0 461.397 4.886 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545965518 1066427519 /nfs/dbraw/zinc/42/75/19/1066427519.db2.gz YUSVPSVCOIKKND-RDJZCZTQSA-N 0 0 491.961 4.873 20 0 JJADRN COc1cc2cc(C(=O)Nc3cc(C(=O)N(C)C(C)C)ccc3Cl)[nH]c2c(OC)c1OC ZINC001444194105 1066427609 /nfs/dbraw/zinc/42/76/09/1066427609.db2.gz DLJLSIQLGJLEET-UHFFFAOYSA-N 0 0 459.930 4.580 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CC3)n2CCCCn2cc(Br)cn2)c1 ZINC001361145449 1066428027 /nfs/dbraw/zinc/42/80/27/1066428027.db2.gz YGCMCNQCVSSOFV-UHFFFAOYSA-N 0 0 473.419 4.512 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C1 ZINC001546075674 1066428443 /nfs/dbraw/zinc/42/84/43/1066428443.db2.gz SOWPKWSLEJMCNP-VWLOTQADSA-N 0 0 471.552 4.743 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC001455765244 1066429130 /nfs/dbraw/zinc/42/91/30/1066429130.db2.gz CLGMIPPPKHGOBL-UHFFFAOYSA-N 0 0 455.584 4.714 20 0 JJADRN O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(Oc2ccccc2Cl)cc1 ZINC001455768028 1066429190 /nfs/dbraw/zinc/42/91/90/1066429190.db2.gz QQKBIZVJUCNZLM-AWEZNQCLSA-N 0 0 450.848 4.779 20 0 JJADRN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001455768495 1066429196 /nfs/dbraw/zinc/42/91/96/1066429196.db2.gz WVTGILPTPLPAMP-BPQIPLTHSA-N 0 0 454.924 4.989 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361145656 1066429623 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0 0 480.657 4.748 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001546075978 1066430636 /nfs/dbraw/zinc/43/06/36/1066430636.db2.gz ZJTKQVHSFIWFMD-VWLOTQADSA-N 0 0 458.050 4.941 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)s2)cc1 ZINC001444213352 1066430920 /nfs/dbraw/zinc/43/09/20/1066430920.db2.gz GSVMSQLZPQFABW-JCURWCKSSA-N 0 0 481.565 4.710 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc4c(c3)N[C@H](C)CC(=O)N4)s2)cc1 ZINC001444215464 1066431102 /nfs/dbraw/zinc/43/11/02/1066431102.db2.gz LUIPOCSXIQWPDE-KGLIPLIRSA-N 0 0 450.564 4.761 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)CCO2 ZINC001455790897 1066431708 /nfs/dbraw/zinc/43/17/08/1066431708.db2.gz DXPXHBUIMDGRRZ-UHFFFAOYSA-N 0 0 458.986 4.761 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2Cc2snnc2C)s1 ZINC001361146080 1066431732 /nfs/dbraw/zinc/43/17/32/1066431732.db2.gz RIVWBJSKFYYBPO-UHFFFAOYSA-N 0 0 454.625 4.688 20 0 JJADRN C[C@H](CNC(=O)CCCCOc1ccc(Br)cc1)CN(C)C(=O)OC(C)(C)C ZINC001444240449 1066432327 /nfs/dbraw/zinc/43/23/27/1066432327.db2.gz NTKREXXBRMUZPB-MRXNPFEDSA-N 0 0 457.409 4.617 20 0 JJADRN C[C@@H](CNC(=O)CCCCOc1ccc(Br)cc1)CN(C)C(=O)OC(C)(C)C ZINC001444240447 1066432417 /nfs/dbraw/zinc/43/24/17/1066432417.db2.gz NTKREXXBRMUZPB-INIZCTEOSA-N 0 0 457.409 4.617 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccc(Br)c1 ZINC001546076254 1066432813 /nfs/dbraw/zinc/43/28/13/1066432813.db2.gz JMVFHSXWFPXPMR-SFHVURJKSA-N 0 0 456.340 4.572 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1F ZINC001361147154 1066432924 /nfs/dbraw/zinc/43/29/24/1066432924.db2.gz WCSPHNBDCWAPQM-INIZCTEOSA-N 0 0 450.466 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1(C)C ZINC001455796561 1066432914 /nfs/dbraw/zinc/43/29/14/1066432914.db2.gz FARLLLKXSAJPMU-GOSISDBHSA-N 0 0 451.995 4.822 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361148242 1066433826 /nfs/dbraw/zinc/43/38/26/1066433826.db2.gz FILQCOORBFCRAK-OAQYLSRUSA-N 0 0 479.591 4.985 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001444246621 1066433902 /nfs/dbraw/zinc/43/39/02/1066433902.db2.gz FXFNKQQCBQRXRJ-NZQKXSOJSA-N 0 0 452.599 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC001444247953 1066434286 /nfs/dbraw/zinc/43/42/86/1066434286.db2.gz LVRIWLLKMTXCQG-SFHVURJKSA-N 0 0 451.405 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361148371 1066434415 /nfs/dbraw/zinc/43/44/15/1066434415.db2.gz INUVZSXFLXMNNQ-IBGZPJMESA-N 0 0 489.542 4.799 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809962 1066435288 /nfs/dbraw/zinc/43/52/88/1066435288.db2.gz RLMCSMGAZSGEKC-CWFSZBLJSA-N 0 0 452.904 4.728 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001361148664 1066435662 /nfs/dbraw/zinc/43/56/62/1066435662.db2.gz RPLQFFGCQXSAEB-KNQAVFIVSA-N 0 0 467.614 4.745 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1(F)F ZINC001444258588 1066436754 /nfs/dbraw/zinc/43/67/54/1066436754.db2.gz JUVTZWBOVGXHBD-SJLPKXTDSA-N 0 0 479.911 4.937 20 0 JJADRN CCN(CC)C(=O)N1CCN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)CC1 ZINC001444258398 1066436890 /nfs/dbraw/zinc/43/68/90/1066436890.db2.gz HBRBXOACWIEPCH-UHFFFAOYSA-N 0 0 450.558 4.513 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361148848 1066437416 /nfs/dbraw/zinc/43/74/16/1066437416.db2.gz ZHMZASULDIOILK-HSZRJFAPSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361149037 1066438049 /nfs/dbraw/zinc/43/80/49/1066438049.db2.gz GDIXGQANKFBRPC-SZPZYZBQSA-N 0 0 485.673 4.672 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361148849 1066438073 /nfs/dbraw/zinc/43/80/73/1066438073.db2.gz ZHMZASULDIOILK-QHCPKHFHSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001455821028 1066438256 /nfs/dbraw/zinc/43/82/56/1066438256.db2.gz CTJCZJGOZQSISS-SANMLTNESA-N 0 0 452.599 4.742 20 0 JJADRN CC[C@@](C)(NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)c1nc(C)cs1 ZINC001444264746 1066438511 /nfs/dbraw/zinc/43/85/11/1066438511.db2.gz NPBYKOKEHKRZCO-DDHUMTCJSA-N 0 0 453.674 4.762 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2CC2([S@](C)=O)CC2)c1 ZINC001361149101 1066438693 /nfs/dbraw/zinc/43/86/93/1066438693.db2.gz INVGYYKXIXEDMU-YTTGMZPUSA-N 0 0 458.672 4.790 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001444265877 1066438864 /nfs/dbraw/zinc/43/88/64/1066438864.db2.gz JNFOOUKLDGYUSK-UHFFFAOYSA-N 0 0 452.913 4.543 20 0 JJADRN C[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N(C)C(=O)OC(C)(C)C ZINC001444266399 1066438900 /nfs/dbraw/zinc/43/89/00/1066438900.db2.gz YKZVMAIJARZMIX-KRWDZBQOSA-N 0 0 452.530 4.550 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444265787 1066438941 /nfs/dbraw/zinc/43/89/41/1066438941.db2.gz RFVFUIUVQOMUAS-UHFFFAOYSA-N 0 0 452.382 4.781 20 0 JJADRN CN(C)[C@H](CNC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1c(F)cccc1F ZINC001444267082 1066439070 /nfs/dbraw/zinc/43/90/70/1066439070.db2.gz UHQBDRGVCNERDW-JOCHJYFZSA-N 0 0 453.489 4.746 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)c2ccccc2Cl)c1 ZINC001444268645 1066439766 /nfs/dbraw/zinc/43/97/66/1066439766.db2.gz ZHNGMMGPNDGYKY-GMAHTHKFSA-N 0 0 452.913 4.746 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC001444268511 1066439787 /nfs/dbraw/zinc/43/97/87/1066439787.db2.gz LVIZKLJGXXATRB-NRFANRHFSA-N 0 0 455.352 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](Nc3ccccn3)CC1)C2 ZINC001455827927 1066439706 /nfs/dbraw/zinc/43/97/06/1066439706.db2.gz QHYKCFWOQRTDLX-UZINWLIJSA-N 0 0 456.631 4.692 20 0 JJADRN Cc1cn(CC(=O)NCC2(c3cccc(Br)c3)CCCCC2)nc1C(F)(F)F ZINC001361149628 1066439978 /nfs/dbraw/zinc/43/99/78/1066439978.db2.gz FWXGEECVOFIIDG-UHFFFAOYSA-N 0 0 458.322 4.991 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001361149677 1066440041 /nfs/dbraw/zinc/44/00/41/1066440041.db2.gz XYAJELMAFUHEBE-UHFFFAOYSA-N 0 0 480.560 4.851 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)c1cccc2ccccc21 ZINC001455837531 1066440305 /nfs/dbraw/zinc/44/03/05/1066440305.db2.gz HDHHGLLEQPMSHS-QFIPXVFZSA-N 0 0 451.320 4.657 20 0 JJADRN COC(=O)[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc2ccccc21 ZINC001455839662 1066440384 /nfs/dbraw/zinc/44/03/84/1066440384.db2.gz NKEBDYJHFDMHSF-HSZRJFAPSA-N 0 0 454.567 4.597 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N(C)[C@@H](CO)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001455838405 1066440462 /nfs/dbraw/zinc/44/04/62/1066440462.db2.gz RQJHJLVYFRPPPC-VXKWHMMOSA-N 0 0 456.583 4.542 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545966546 1066441175 /nfs/dbraw/zinc/44/11/75/1066441175.db2.gz GLWPSCNKBFPHGT-OFNKIYASSA-N 0 0 494.640 4.658 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361151076 1066441146 /nfs/dbraw/zinc/44/11/46/1066441146.db2.gz BHJOYFLGSCBMHK-YDWJEQILSA-N 0 0 496.574 4.691 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCCc2nccs2)c1 ZINC001361151032 1066441172 /nfs/dbraw/zinc/44/11/72/1066441172.db2.gz AEBYEWPZJWBZKH-OALUTQOASA-N 0 0 457.669 4.893 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361151070 1066441256 /nfs/dbraw/zinc/44/12/56/1066441256.db2.gz BBDSJESTRZVWFR-UHFFFAOYSA-N 0 0 467.658 4.819 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001455842962 1066441440 /nfs/dbraw/zinc/44/14/40/1066441440.db2.gz ZYFIMHXGLRMNDK-UNMCSNQZSA-N 0 0 459.876 4.639 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CCSC)NC(=O)OC(C)(C)C ZINC001545966519 1066441365 /nfs/dbraw/zinc/44/13/65/1066441365.db2.gz GBCKAULPZXJIOH-FUHWJXTLSA-N 0 0 491.658 4.555 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cnc(C)s1)OC ZINC001545966561 1066441959 /nfs/dbraw/zinc/44/19/59/1066441959.db2.gz GSQFGAGYPQBVMT-OAHLLOKOSA-N 0 0 480.432 4.543 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC001455853124 1066441991 /nfs/dbraw/zinc/44/19/91/1066441991.db2.gz SJOBSZLWNBXBEY-YYFZDKIDSA-N 0 0 457.368 4.876 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2cccc(Oc3ccccc3F)c2)cc1OCC ZINC001455859115 1066442647 /nfs/dbraw/zinc/44/26/47/1066442647.db2.gz CWIFTYNUFWPXJJ-UHFFFAOYSA-N 0 0 452.482 4.784 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccccc1Sc1ccc(Br)cn1)CC(C)C ZINC001444278378 1066442711 /nfs/dbraw/zinc/44/27/11/1066442711.db2.gz IFBNHSXQFJGETC-AWEZNQCLSA-N 0 0 451.386 4.560 20 0 JJADRN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1cc(Br)ccc1Cl ZINC001455860575 1066442748 /nfs/dbraw/zinc/44/27/48/1066442748.db2.gz UTHKVXLONSDCDI-UHFFFAOYSA-N 0 0 457.755 4.816 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361151580 1066443233 /nfs/dbraw/zinc/44/32/33/1066443233.db2.gz KFMAZOPMRQZSFL-SFTDATJTSA-N 0 0 485.698 4.595 20 0 JJADRN O=C([C@@H](Oc1ccc(Br)cc1)c1ccccc1)N1CCC[C@H](c2ncccn2)C1 ZINC001455867602 1066443459 /nfs/dbraw/zinc/44/34/59/1066443459.db2.gz PNTRSMKNFPUHHX-RXVVDRJESA-N 0 0 452.352 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)on2)CC1 ZINC001455870546 1066443886 /nfs/dbraw/zinc/44/38/86/1066443886.db2.gz JPXSPEUJKCBTEZ-BTYIYWSLSA-N 0 0 457.493 4.594 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455874310 1066443999 /nfs/dbraw/zinc/44/39/99/1066443999.db2.gz ODGZIJYBDHYEFW-APHBMKBZSA-N 0 0 468.438 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc3c4c([nH]c32)CCCC4)C[C@H]1C(F)(F)F ZINC001455873039 1066444048 /nfs/dbraw/zinc/44/40/48/1066444048.db2.gz LPDOAGNSLXHTDY-SJLPKXTDSA-N 0 0 451.489 4.574 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)c2nccs2)c1 ZINC001361151999 1066444824 /nfs/dbraw/zinc/44/48/24/1066444824.db2.gz NYURQUQAWRZUIX-JENIJYKNSA-N 0 0 495.571 4.890 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C12CCCCC2 ZINC001444297377 1066444844 /nfs/dbraw/zinc/44/48/44/1066444844.db2.gz XUUBKKHOTNDAHF-DNQXCXABSA-N 0 0 455.620 4.827 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC001455876969 1066444830 /nfs/dbraw/zinc/44/48/30/1066444830.db2.gz BCLZGSQIFZZZNI-UKILVPOCSA-N 0 0 462.496 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)cc3)cc2)C[C@H]1C(F)(F)F ZINC001455877617 1066444839 /nfs/dbraw/zinc/44/48/39/1066444839.db2.gz LVMSHRIFVJIHTA-WOJBJXKFSA-N 0 0 462.468 4.694 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCCCCC[C@H]43)n2CCC(=O)NC(C)C)c1 ZINC001361152099 1066445394 /nfs/dbraw/zinc/44/53/94/1066445394.db2.gz PKOXOLBEYHXIMT-FGZHOGPDSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCCCO2)c1 ZINC001361152222 1066445923 /nfs/dbraw/zinc/44/59/23/1066445923.db2.gz QXCOUFYQMNCQTE-LJQANCHMSA-N 0 0 450.505 4.742 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCC(=O)N2CCCCC2)c1 ZINC001361152223 1066445980 /nfs/dbraw/zinc/44/59/80/1066445980.db2.gz JMESCWQOLKHOBL-QFIPXVFZSA-N 0 0 467.658 4.749 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001455888020 1066446692 /nfs/dbraw/zinc/44/66/92/1066446692.db2.gz ZJPDDVATCSVSLE-CHWSQXEVSA-N 0 0 453.377 4.707 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001444316393 1066446725 /nfs/dbraw/zinc/44/67/25/1066446725.db2.gz CESRKFRPBGFGRD-VLIAUNLRSA-N 0 0 453.951 4.582 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001444316937 1066447324 /nfs/dbraw/zinc/44/73/24/1066447324.db2.gz DGOZZODTTFSJDW-OQPBUACISA-N 0 0 450.558 4.699 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccsc2)c1 ZINC001361153085 1066447889 /nfs/dbraw/zinc/44/78/89/1066447889.db2.gz ZRIJOSRAKICLMB-XLIONFOSSA-N 0 0 480.556 4.934 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444320834 1066447825 /nfs/dbraw/zinc/44/78/25/1066447825.db2.gz NLZITPGUFPOGLE-GOTSBHOMSA-N 0 0 450.583 4.555 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)c3ccccc3c2)cnn1CCO[C@H]1CCCCO1 ZINC001455901208 1066447878 /nfs/dbraw/zinc/44/78/78/1066447878.db2.gz IDXGLECKLHEZQY-NRFANRHFSA-N 0 0 458.356 4.903 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001546077385 1066447920 /nfs/dbraw/zinc/44/79/20/1066447920.db2.gz NJXBNCHJFWDLSG-QFQXNSOFSA-N 0 0 488.698 4.883 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001444318629 1066447939 /nfs/dbraw/zinc/44/79/39/1066447939.db2.gz IJTCOIXLDXMAGT-ZHRRBRCNSA-N 0 0 458.967 4.647 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001546077395 1066448149 /nfs/dbraw/zinc/44/81/49/1066448149.db2.gz NPFYTSDQZCICAW-RUZDIDTESA-N 0 0 487.693 4.850 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361153132 1066448591 /nfs/dbraw/zinc/44/85/91/1066448591.db2.gz VNSHHFBBFBGZQS-PZJWPPBQSA-N 0 0 471.646 4.966 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545966760 1066448714 /nfs/dbraw/zinc/44/87/14/1066448714.db2.gz KBPYRZBNYAXKQC-QUCCMNQESA-N 0 0 490.574 4.629 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)Nc1cc(Br)c2ccccc2c1 ZINC001455903823 1066448718 /nfs/dbraw/zinc/44/87/18/1066448718.db2.gz NJCGAFSIRBBWQS-QBFSEMIESA-N 0 0 459.365 4.521 20 0 JJADRN CCCN(C(=O)c1ccc(I)cc1O)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444322143 1066448844 /nfs/dbraw/zinc/44/88/44/1066448844.db2.gz HGHLOLGHXNBLAC-ROUUACIJSA-N 0 0 457.352 4.587 20 0 JJADRN CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1F ZINC001444321209 1066448853 /nfs/dbraw/zinc/44/88/53/1066448853.db2.gz GVEYEJHRENDJNA-SIKLNZKXSA-N 0 0 457.546 4.632 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001444325508 1066449192 /nfs/dbraw/zinc/44/91/92/1066449192.db2.gz APEVPYAAKCHIRV-INIZCTEOSA-N 0 0 454.575 4.773 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@H](CO)CCc1ccccc1 ZINC001455908613 1066449316 /nfs/dbraw/zinc/44/93/16/1066449316.db2.gz HDLOCGHREAHZJB-KRWDZBQOSA-N 0 0 459.409 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NCc2c[nH]c(=O)c3ccccc23)CC1 ZINC001455912222 1066449951 /nfs/dbraw/zinc/44/99/51/1066449951.db2.gz SEZNMDGOZQMTEX-OAQYLSRUSA-N 0 0 453.583 4.764 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cccc(CSC4CCCC4)c3)cc12 ZINC001444328041 1066449960 /nfs/dbraw/zinc/44/99/60/1066449960.db2.gz JHQYSFAUZRWIPX-HNNXBMFYSA-N 0 0 456.637 4.876 20 0 JJADRN CCCN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001444330320 1066450242 /nfs/dbraw/zinc/45/02/42/1066450242.db2.gz WCZCEXRBZDMGJX-RYTUXRKISA-N 0 0 458.462 4.779 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(OC)CCOC2)C1 ZINC001546077538 1066450360 /nfs/dbraw/zinc/45/03/60/1066450360.db2.gz QPKITRBDTNHZOD-FTJBHMTQSA-N 0 0 456.631 4.721 20 0 JJADRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(Br)nc(Br)c1 ZINC001361154461 1066450991 /nfs/dbraw/zinc/45/09/91/1066450991.db2.gz OIQHENUTTCAVND-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2nccs2)c1 ZINC001361154516 1066451046 /nfs/dbraw/zinc/45/10/46/1066451046.db2.gz BKPNOSKHHWQOGR-UHFFFAOYSA-N 0 0 450.395 4.878 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NCCc1c[nH]c3c1cccc3C)N2C(=O)OC(C)(C)C ZINC001444337135 1066451246 /nfs/dbraw/zinc/45/12/46/1066451246.db2.gz KDTVIVDOWQRXIQ-QFIPXVFZSA-N 0 0 451.542 4.949 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC001444339718 1066451319 /nfs/dbraw/zinc/45/13/19/1066451319.db2.gz NBZMYISYPNHYBS-DEOSSOPVSA-N 0 0 459.542 4.885 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001361154930 1066451745 /nfs/dbraw/zinc/45/17/45/1066451745.db2.gz GXOCWCCHBXBTFV-UHFFFAOYSA-N 0 0 494.583 4.980 20 0 JJADRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001455928642 1066452529 /nfs/dbraw/zinc/45/25/29/1066452529.db2.gz AAKSIQKFYXODEX-UHFFFAOYSA-N 0 0 457.556 4.902 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001455927428 1066452617 /nfs/dbraw/zinc/45/26/17/1066452617.db2.gz DEGFIKBBBMWAHU-UHFFFAOYSA-N 0 0 450.329 4.821 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)ccc1F ZINC001444344240 1066452635 /nfs/dbraw/zinc/45/26/35/1066452635.db2.gz GZNRNFIQYPASOJ-UHFFFAOYSA-N 0 0 458.342 4.943 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361155128 1066452983 /nfs/dbraw/zinc/45/29/83/1066452983.db2.gz MUCFCXJPMIOKQA-FCHUYYIVSA-N 0 0 458.672 4.868 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001455930641 1066453085 /nfs/dbraw/zinc/45/30/85/1066453085.db2.gz VRBVJTRDPSLAKH-LMMKCTJWSA-N 0 0 470.639 4.926 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C(C)C)NC(=O)OC(C)(C)C ZINC001545966880 1066453050 /nfs/dbraw/zinc/45/30/50/1066453050.db2.gz MBGPQQNBLMZKAN-GOSISDBHSA-N 0 0 461.607 4.500 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001455929004 1066453176 /nfs/dbraw/zinc/45/31/76/1066453176.db2.gz OYTKOCZWCNBDOW-AKHDSKFASA-N 0 0 455.624 4.965 20 0 JJADRN COc1cccc(CC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)n1 ZINC001455929189 1066453183 /nfs/dbraw/zinc/45/31/83/1066453183.db2.gz QUZKBMGANSVEHA-UHFFFAOYSA-N 0 0 459.315 4.985 20 0 JJADRN CC[C@H](CC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348657 1066453230 /nfs/dbraw/zinc/45/32/30/1066453230.db2.gz DGEKBPVDIGSQQI-LJQANCHMSA-N 0 0 455.002 4.615 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)C(=O)c1cccc(F)c1 ZINC001444354867 1066453761 /nfs/dbraw/zinc/45/37/61/1066453761.db2.gz CGTSUIKZQRKBEU-MRXNPFEDSA-N 0 0 455.507 4.869 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCc3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546077697 1066453777 /nfs/dbraw/zinc/45/37/77/1066453777.db2.gz UJQABFGYLKKQDF-DEOSSOPVSA-N 0 0 477.600 4.850 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC001444356952 1066453953 /nfs/dbraw/zinc/45/39/53/1066453953.db2.gz CQTQXGSBYVFKCR-UHFFFAOYSA-N 0 0 459.905 4.939 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3N)cc2)c1 ZINC001444354848 1066453979 /nfs/dbraw/zinc/45/39/79/1066453979.db2.gz BZOIUWHQZVZRAK-UHFFFAOYSA-N 0 0 450.438 4.736 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361155343 1066454356 /nfs/dbraw/zinc/45/43/56/1066454356.db2.gz SIYRWDIWLWZCHG-RUZDIDTESA-N 0 0 487.048 4.572 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)Nc3ccc(F)cc3OCC3CC3)cn2c1 ZINC001444359195 1066454523 /nfs/dbraw/zinc/45/45/23/1066454523.db2.gz ZREPIHWFZPMXCU-UHFFFAOYSA-N 0 0 454.502 4.539 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc2F)c1 ZINC001444360807 1066455309 /nfs/dbraw/zinc/45/53/09/1066455309.db2.gz PEOKMTWRIQUUQS-JOCHJYFZSA-N 0 0 450.514 4.793 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)cc2F)c1 ZINC001444363436 1066455335 /nfs/dbraw/zinc/45/53/35/1066455335.db2.gz SKEXWZHYPRYFLP-UHFFFAOYSA-N 0 0 456.547 4.576 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001361155769 1066455665 /nfs/dbraw/zinc/45/56/65/1066455665.db2.gz GFVYDEYXAQIXFE-HOFKKMOUSA-N 0 0 480.657 4.536 20 0 JJADRN CN(C)[C@H](C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1c(F)cccc1Cl ZINC001455936327 1066455672 /nfs/dbraw/zinc/45/56/72/1066455672.db2.gz SZOJDDVASCMWTQ-QHCPKHFHSA-N 0 0 454.929 4.755 20 0 JJADRN CC[C@H](CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)Cc1cccc(Br)c1 ZINC001444366104 1066455984 /nfs/dbraw/zinc/45/59/84/1066455984.db2.gz QMUMZUGAENAVPB-HOTGVXAUSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC001444382172 1066456118 /nfs/dbraw/zinc/45/61/18/1066456118.db2.gz CIQVYZQFBPDMQF-UHFFFAOYSA-N 0 0 454.426 4.607 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)c2cccs2)c1 ZINC001361155838 1066456299 /nfs/dbraw/zinc/45/62/99/1066456299.db2.gz GXELUWZLJNZSFQ-HXUWFJFHSA-N 0 0 481.666 4.605 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361155818 1066456387 /nfs/dbraw/zinc/45/63/87/1066456387.db2.gz ZSSDJDZWRBXKNE-HXOBKFHXSA-N 0 0 465.425 4.924 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC001455940047 1066456378 /nfs/dbraw/zinc/45/63/78/1066456378.db2.gz CPNLMSOKRUIFFV-UHFFFAOYSA-N 0 0 454.324 4.656 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2nccn2C(F)F)c1 ZINC001361155960 1066456984 /nfs/dbraw/zinc/45/69/84/1066456984.db2.gz JQDCBGYKVUZUAK-INIZCTEOSA-N 0 0 484.473 4.893 20 0 JJADRN Cc1sc(CCNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)nc1-c1ccccc1 ZINC001444392940 1066457501 /nfs/dbraw/zinc/45/75/01/1066457501.db2.gz VBCKVHOAWKLAAR-UHFFFAOYSA-N 0 0 450.539 4.989 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCCCCO)C2)n1 ZINC001361156117 1066457556 /nfs/dbraw/zinc/45/75/56/1066457556.db2.gz OBJHVQFOKSOJPF-OAQYLSRUSA-N 0 0 469.655 4.785 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccc(CSC)cc2)c1 ZINC001455946351 1066457715 /nfs/dbraw/zinc/45/77/15/1066457715.db2.gz BJUFGDYSDJTIIE-UHFFFAOYSA-N 0 0 457.573 4.968 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC2CCOCC2)c1 ZINC001361156288 1066458240 /nfs/dbraw/zinc/45/82/40/1066458240.db2.gz SABDYFYRVNIMAS-NRFANRHFSA-N 0 0 496.574 4.838 20 0 JJADRN Cc1noc([C@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCCC(F)(F)F)C2)n1 ZINC001361156362 1066458829 /nfs/dbraw/zinc/45/88/29/1066458829.db2.gz TUJVPJPPFVYFJL-SFHVURJKSA-N 0 0 478.519 4.892 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444403940 1066458907 /nfs/dbraw/zinc/45/89/07/1066458907.db2.gz NJYLWUZJFVCIDI-XCNDVJPKSA-N 0 0 455.640 4.516 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCO[C@@H](C(F)(F)F)C3)c2c1C ZINC001444402379 1066458928 /nfs/dbraw/zinc/45/89/28/1066458928.db2.gz CPDVDABVDSRZFY-OAHLLOKOSA-N 0 0 453.511 4.863 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)c3c2CCC3)c(C)c1 ZINC001444404025 1066458955 /nfs/dbraw/zinc/45/89/55/1066458955.db2.gz ONSDMYMCASUFKO-UHFFFAOYSA-N 0 0 452.599 4.544 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC001444402682 1066459016 /nfs/dbraw/zinc/45/90/16/1066459016.db2.gz MBTASRFCCXQFGY-KEAYGVSJSA-N 0 0 451.405 4.679 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC001444407116 1066459254 /nfs/dbraw/zinc/45/92/54/1066459254.db2.gz LBSPIAQHOWPUJS-SFHVURJKSA-N 0 0 450.402 4.516 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CC[C@@H](C)C2)c1 ZINC001361156565 1066459365 /nfs/dbraw/zinc/45/93/65/1066459365.db2.gz YOSQZSQVDLHQSP-AGILITTLSA-N 0 0 481.685 4.899 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)CCOc1ccc(Cl)cc1)C(F)(F)F ZINC001455953375 1066459441 /nfs/dbraw/zinc/45/94/41/1066459441.db2.gz LQNDKZAEULGUDI-LJQANCHMSA-N 0 0 450.885 4.557 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455956564 1066459974 /nfs/dbraw/zinc/45/99/74/1066459974.db2.gz ANPXOMKIZUCHPW-HSZRJFAPSA-N 0 0 458.530 4.577 20 0 JJADRN CC(C)Nc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC001444414617 1066460029 /nfs/dbraw/zinc/46/00/29/1066460029.db2.gz ODGKELHSQXDLEM-UHFFFAOYSA-N 0 0 455.515 4.870 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001455955716 1066460141 /nfs/dbraw/zinc/46/01/41/1066460141.db2.gz KBFOSRJBEVCSCM-JOCHJYFZSA-N 0 0 455.599 4.526 20 0 JJADRN CCN(C(=O)c1cc(F)cc(N2CCOCC2)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455956939 1066460150 /nfs/dbraw/zinc/46/01/50/1066460150.db2.gz DCYCJHKWWGLTRN-XMMPIXPASA-N 0 0 455.480 4.587 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001455958345 1066460559 /nfs/dbraw/zinc/46/05/59/1066460559.db2.gz UMLMOJOLOAPNJZ-UHFFFAOYSA-N 0 0 451.411 4.602 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@]3(C(F)(F)F)CCCN3C(=O)OC(C)(C)C)on2)cc1 ZINC001455960184 1066461207 /nfs/dbraw/zinc/46/12/07/1066461207.db2.gz ZIENUKMQDZBHDX-OAQYLSRUSA-N 0 0 453.461 4.712 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC001455960147 1066461310 /nfs/dbraw/zinc/46/13/10/1066461310.db2.gz BMOOLGBBGXDZAT-DYESRHJHSA-N 0 0 457.498 4.510 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2cc(Cl)ccc2n1C ZINC001361158007 1066461293 /nfs/dbraw/zinc/46/12/93/1066461293.db2.gz ZJALOVYNPYOZAU-VXGBXAGGSA-N 0 0 450.297 4.677 20 0 JJADRN COc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)c(C)c1 ZINC001455963475 1066461874 /nfs/dbraw/zinc/46/18/74/1066461874.db2.gz OYUTUVTZQQGJRS-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN C[C@H](c1cccnc1)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC001444443008 1066461702 /nfs/dbraw/zinc/46/17/02/1066461702.db2.gz PCKYDCMVXBIEPS-GOSISDBHSA-N 0 0 452.505 4.946 20 0 JJADRN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ncc(-c2ccccc2)o1 ZINC001444436992 1066461735 /nfs/dbraw/zinc/46/17/35/1066461735.db2.gz IWLASJZCWCGIEJ-MRXNPFEDSA-N 0 0 458.967 4.959 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC001444442359 1066461787 /nfs/dbraw/zinc/46/17/87/1066461787.db2.gz MZEBKAKCIZIMLD-BPUTZDHNSA-N 0 0 453.461 4.707 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CC(F)(F)Br)c1 ZINC001361158933 1066462675 /nfs/dbraw/zinc/46/26/75/1066462675.db2.gz IYUYXQIIKVHCAY-QGZVFWFLSA-N 0 0 495.372 4.537 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCCCCC2)c(C)o1 ZINC001361159011 1066463297 /nfs/dbraw/zinc/46/32/97/1066463297.db2.gz MDYWLVMKYJITDU-SANMLTNESA-N 0 0 452.599 4.972 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H]3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361159060 1066463312 /nfs/dbraw/zinc/46/33/12/1066463312.db2.gz NKWSZSLECCSOJK-RTWAWAEBSA-N 0 0 469.630 4.862 20 0 JJADRN COc1cc(CNC(=O)c2cc(C)cc(Br)c2F)ccc1OCc1cccnc1 ZINC001444466537 1066463307 /nfs/dbraw/zinc/46/33/07/1066463307.db2.gz FJFRTCPJOSYLGL-UHFFFAOYSA-N 0 0 459.315 4.809 20 0 JJADRN CCN(C(=O)c1cc(C(=O)c2ccccc2)c[nH]1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001444473050 1066463806 /nfs/dbraw/zinc/46/38/06/1066463806.db2.gz BFBAXLFRIYOIDW-UHFFFAOYSA-N 0 0 459.594 4.599 20 0 JJADRN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1scc(Br)c1Br ZINC001455972270 1066463898 /nfs/dbraw/zinc/46/38/98/1066463898.db2.gz YWJQGPUODXSSHF-UHFFFAOYSA-N 0 0 459.159 4.728 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001546077996 1066463953 /nfs/dbraw/zinc/46/39/53/1066463953.db2.gz ZPTFBGVJQKQEPZ-QHCPKHFHSA-N 0 0 476.547 4.907 20 0 JJADRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001455974268 1066464450 /nfs/dbraw/zinc/46/44/50/1066464450.db2.gz ADFNPIAEBHTTKW-INIZCTEOSA-N 0 0 457.646 4.769 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C)CCCC2)c1 ZINC001361159574 1066464463 /nfs/dbraw/zinc/46/44/63/1066464463.db2.gz CPDAPAGOTYCOPZ-UHFFFAOYSA-N 0 0 465.564 4.739 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)nnn1-c1cccc(Cl)c1 ZINC001444473672 1066464490 /nfs/dbraw/zinc/46/44/90/1066464490.db2.gz BFMQKRKWXIMFCH-SFHVURJKSA-N 0 0 457.937 4.856 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545967399 1066464569 /nfs/dbraw/zinc/46/45/69/1066464569.db2.gz WTEOBRMLIMONSF-FBBABVLZSA-N 0 0 455.603 4.636 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2([S@](C)=O)CC2)C1 ZINC001546078015 1066464523 /nfs/dbraw/zinc/46/45/23/1066464523.db2.gz ZXNROCQDUIQJOX-HEIROHQZSA-N 0 0 479.090 4.789 20 0 JJADRN CCOc1ccc(N(C(=O)c2ccnc(SC)c2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001455976066 1066465206 /nfs/dbraw/zinc/46/52/06/1066465206.db2.gz YYRFYCKFOSCTIO-UHFFFAOYSA-N 0 0 453.530 4.876 20 0 JJADRN Nc1c(Br)cc(Br)cc1CNC(=O)c1cccc2cc(O)ccc21 ZINC001455978843 1066465774 /nfs/dbraw/zinc/46/57/74/1066465774.db2.gz PVESFMCTKSRSQB-UHFFFAOYSA-N 0 0 450.130 4.583 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361159996 1066465792 /nfs/dbraw/zinc/46/57/92/1066465792.db2.gz QVPGOYYOQHQXPY-PWRODBHTSA-N 0 0 469.630 4.576 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n(-c2ncccn2)n1 ZINC001455980408 1066465877 /nfs/dbraw/zinc/46/58/77/1066465877.db2.gz HWYQKLJZQOCDNJ-UHFFFAOYSA-N 0 0 456.428 4.886 20 0 JJADRN Cc1ccc(I)cc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 ZINC001455982799 1066466572 /nfs/dbraw/zinc/46/65/72/1066466572.db2.gz GYWAWSCAWKJWDC-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C ZINC001361160151 1066466527 /nfs/dbraw/zinc/46/65/27/1066466527.db2.gz BWAAOYHZUCWRQF-CQSZACIVSA-N 0 0 454.910 4.887 20 0 JJADRN COc1ccc(CN(C)C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cc1C ZINC001455983395 1066466623 /nfs/dbraw/zinc/46/66/23/1066466623.db2.gz OLUWSKUJQYHYLV-FQEVSTJZSA-N 0 0 452.473 4.600 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)OCc1nc(-c2cccc(Cl)c2)no1 ZINC001455986489 1066467064 /nfs/dbraw/zinc/46/70/64/1066467064.db2.gz QQLGYWVLHIXTKO-UHFFFAOYSA-N 0 0 458.095 4.928 20 0 JJADRN C[C@H](OC(=O)[C@@]1(C)CC1(Br)Br)c1nc2cc(Cl)ccc2n1C ZINC001361161318 1066467183 /nfs/dbraw/zinc/46/71/83/1066467183.db2.gz WYMALVAHXQEZMP-RMLUDKJBSA-N 0 0 450.558 4.727 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001444497061 1066467604 /nfs/dbraw/zinc/46/76/04/1066467604.db2.gz ADHDIIBKKJXFJB-OAQYLSRUSA-N 0 0 456.583 4.785 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CC[C@H](COCc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001361161784 1066467758 /nfs/dbraw/zinc/46/77/58/1066467758.db2.gz XYIAYEAZWVAFBI-QFIPXVFZSA-N 0 0 452.595 4.775 20 0 JJADRN CCCc1c(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)cnn1-c1ccccc1C ZINC001455993467 1066469181 /nfs/dbraw/zinc/46/91/81/1066469181.db2.gz DHMJREAUJPFPMF-UHFFFAOYSA-N 0 0 456.468 4.837 20 0 JJADRN CCc1cnc(NC(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)s1 ZINC001444506108 1066469375 /nfs/dbraw/zinc/46/93/75/1066469375.db2.gz SVIHTIYWDUNBKW-IBGZPJMESA-N 0 0 458.381 4.507 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361162226 1066469426 /nfs/dbraw/zinc/46/94/26/1066469426.db2.gz KYSGORHBVAFHQI-XMMPIXPASA-N 0 0 479.625 4.566 20 0 JJADRN CN1CCN(c2nc3ccc(NC(=O)c4cc(Cl)ccc4OC(F)F)cc3s2)CC1 ZINC001455995761 1066469765 /nfs/dbraw/zinc/46/97/65/1066469765.db2.gz ZXLMJFUGXCNDTQ-UHFFFAOYSA-N 0 0 452.914 4.555 20 0 JJADRN Cc1c(C(=O)Nc2ccnn2Cc2ccccc2F)cnn1-c1ccc(Br)cc1 ZINC001456002966 1066470297 /nfs/dbraw/zinc/47/02/97/1066470297.db2.gz DDBFCESPTJAPBA-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN CCCN(C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509006 1066470259 /nfs/dbraw/zinc/47/02/59/1066470259.db2.gz PXFJLQXROMVVFY-FOIQADDNSA-N 0 0 453.414 4.790 20 0 JJADRN COC(=O)c1ccc(/C=C/C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)o1 ZINC001456003664 1066470436 /nfs/dbraw/zinc/47/04/36/1066470436.db2.gz HIQOONFHKBJIMG-CSKARUKUSA-N 0 0 453.804 4.791 20 0 JJADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC001444511765 1066471057 /nfs/dbraw/zinc/47/10/57/1066471057.db2.gz VMYHJJLPZGDMGX-OZIGNCPNSA-N 0 0 456.656 4.763 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361162963 1066471637 /nfs/dbraw/zinc/47/16/37/1066471637.db2.gz IXGDQAFAINXBSA-ZWKOTPCHSA-N 0 0 489.592 4.849 20 0 JJADRN O=C(Oc1ccccc1OCC(F)(F)F)c1ncc(Br)cc1Br ZINC001456010360 1066471622 /nfs/dbraw/zinc/47/16/22/1066471622.db2.gz ZEOJMIDQYYPIJZ-UHFFFAOYSA-N 0 0 455.024 4.767 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3(O)CCCCC3)c2)cc1 ZINC001444522850 1066472710 /nfs/dbraw/zinc/47/27/10/1066472710.db2.gz UZAQYFUVBRANHG-UHFFFAOYSA-N 0 0 458.624 4.563 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361163333 1066472723 /nfs/dbraw/zinc/47/27/23/1066472723.db2.gz MNXIIPXYMALMAM-UFHPHHKVSA-N 0 0 484.685 4.914 20 0 JJADRN Cc1cc(C(=O)Oc2ccccc2OC(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456015241 1066473328 /nfs/dbraw/zinc/47/33/28/1066473328.db2.gz CBURFJYEXLGNKC-UHFFFAOYSA-N 0 0 453.507 4.545 20 0 JJADRN COCCCOC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC001444540802 1066473367 /nfs/dbraw/zinc/47/33/67/1066473367.db2.gz CUKOGLJSJOCOCF-UHFFFAOYSA-N 0 0 453.970 4.850 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)OCO2 ZINC001361163769 1066473401 /nfs/dbraw/zinc/47/34/01/1066473401.db2.gz SMEXCCNLQXNUOT-UHFFFAOYSA-N 0 0 459.589 4.882 20 0 JJADRN CCC(CC)[C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1)N1CCOCC1 ZINC001456015125 1066473351 /nfs/dbraw/zinc/47/33/51/1066473351.db2.gz FNMZVXNPHDGCDQ-FQEVSTJZSA-N 0 0 453.370 4.651 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)s1 ZINC001456015441 1066473938 /nfs/dbraw/zinc/47/39/38/1066473938.db2.gz JMFVFSIHOKZSEH-CBGDNZLLSA-N 0 0 458.628 4.624 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001361164002 1066474085 /nfs/dbraw/zinc/47/40/85/1066474085.db2.gz ZGDXSTSKOPNIJT-UHFFFAOYSA-N 0 0 452.532 4.836 20 0 JJADRN CC(C)(C)c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n(-c2ccccn2)n1 ZINC001456015614 1066474101 /nfs/dbraw/zinc/47/41/01/1066474101.db2.gz FNIHCMWPMFTVSJ-UHFFFAOYSA-N 0 0 452.356 4.990 20 0 JJADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2 ZINC001444549854 1066474250 /nfs/dbraw/zinc/47/42/50/1066474250.db2.gz GJQVMNIEOUADTA-IRXDYDNUSA-N 0 0 454.514 4.529 20 0 JJADRN Cc1nc(C(C)C)oc1C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001444544624 1066474300 /nfs/dbraw/zinc/47/43/00/1066474300.db2.gz CQZOCHXLJFWXQN-UHFFFAOYSA-N 0 0 455.452 4.555 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001456016029 1066474879 /nfs/dbraw/zinc/47/48/79/1066474879.db2.gz DAEGMYQBTBENLR-INIZCTEOSA-N 0 0 454.493 4.560 20 0 JJADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)CC2 ZINC001444551833 1066474872 /nfs/dbraw/zinc/47/48/72/1066474872.db2.gz HJTHDMUBGCEKQO-RTBURBONSA-N 0 0 450.366 4.524 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)c1 ZINC001444554137 1066474997 /nfs/dbraw/zinc/47/49/97/1066474997.db2.gz UEVOUQQMNORJLL-UHFFFAOYSA-N 0 0 450.495 4.555 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361164051 1066474984 /nfs/dbraw/zinc/47/49/84/1066474984.db2.gz UGEXSNJKATWCCC-NFBKMPQASA-N 0 0 458.672 4.868 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1(C)C ZINC001444559388 1066475648 /nfs/dbraw/zinc/47/56/48/1066475648.db2.gz FEVGRVWHMHGMNE-LEWJYISDSA-N 0 0 459.631 4.530 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456017770 1066475591 /nfs/dbraw/zinc/47/55/91/1066475591.db2.gz LBYKLIBVIWTPHH-JOCHJYFZSA-N 0 0 451.364 4.748 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361164232 1066475758 /nfs/dbraw/zinc/47/57/58/1066475758.db2.gz ZCYIPRATXSFQHJ-UHFFFAOYSA-N 0 0 477.556 4.684 20 0 JJADRN COC(=O)CC[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)n1C)c1ccccc1 ZINC001456018314 1066475790 /nfs/dbraw/zinc/47/57/90/1066475790.db2.gz LRWTWIKVVBEVOI-IBGZPJMESA-N 0 0 455.352 4.879 20 0 JJADRN CO[C@H](C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1Br ZINC001444561454 1066476244 /nfs/dbraw/zinc/47/62/44/1066476244.db2.gz DNAFKKSQKCRLPY-UXHICEINSA-N 0 0 452.776 4.762 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC001456019056 1066476413 /nfs/dbraw/zinc/47/64/13/1066476413.db2.gz NQYVZYNBPGFDES-CGTJXYLNSA-N 0 0 451.405 4.535 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)CSCc2ccc(Br)cc2)cc1OC ZINC001456019983 1066476958 /nfs/dbraw/zinc/47/69/58/1066476958.db2.gz OCBCFVIKUMHKDN-UHFFFAOYSA-N 0 0 452.414 4.794 20 0 JJADRN Cc1ccc(CN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)C2CC2)cc1C ZINC001444566399 1066477013 /nfs/dbraw/zinc/47/70/13/1066477013.db2.gz MRTVBNFAQVVCGD-UHFFFAOYSA-N 0 0 456.652 4.705 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccnc(-c2ccccc2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019996 1066477111 /nfs/dbraw/zinc/47/71/11/1066477111.db2.gz VSTPFFQHTJOWSF-DVECYGJZSA-N 0 0 457.578 4.527 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)c3cc(O)c4ccccc4c3)cc2)[nH]1 ZINC001444566699 1066477247 /nfs/dbraw/zinc/47/72/47/1066477247.db2.gz KOJWJNVEAYOPON-UHFFFAOYSA-N 0 0 459.506 4.608 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)no1 ZINC001444568199 1066477768 /nfs/dbraw/zinc/47/77/68/1066477768.db2.gz ONJZDJKXAZMJPQ-OAQYLSRUSA-N 0 0 457.983 4.910 20 0 JJADRN CC1(c2ncc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)c(Cl)c3)s2)OCCO1 ZINC001456021793 1066478277 /nfs/dbraw/zinc/47/82/77/1066478277.db2.gz YNFHODQNTMFLQR-UHFFFAOYSA-N 0 0 453.307 4.504 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456021205 1066478346 /nfs/dbraw/zinc/47/83/46/1066478346.db2.gz YVVKBQYESVJRGC-NTKDMRAZSA-N 0 0 453.631 4.621 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1OC ZINC001456021382 1066478380 /nfs/dbraw/zinc/47/83/80/1066478380.db2.gz SIWLHQHFPYNVTD-UHFFFAOYSA-N 0 0 459.949 4.757 20 0 JJADRN Cc1nnc(N2CCN(C(=O)c3sc(-c4cc(Cl)ccc4Cl)nc3C)CC2)s1 ZINC001456021466 1066478405 /nfs/dbraw/zinc/47/84/05/1066478405.db2.gz UUVMJQMIKIUNTN-UHFFFAOYSA-N 0 0 454.408 4.548 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)[nH]1 ZINC001444574714 1066478789 /nfs/dbraw/zinc/47/87/89/1066478789.db2.gz YHMCMPBMALMIEX-UHFFFAOYSA-N 0 0 455.946 4.721 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001456022128 1066479111 /nfs/dbraw/zinc/47/91/11/1066479111.db2.gz YAVSAAXIMKCWRJ-GOSISDBHSA-N 0 0 454.567 4.809 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CCC1 ZINC001456022560 1066479132 /nfs/dbraw/zinc/47/91/32/1066479132.db2.gz WXJVLELPRASIGR-UHFFFAOYSA-N 0 0 450.539 4.689 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC001456022247 1066479179 /nfs/dbraw/zinc/47/91/79/1066479179.db2.gz YTYMGCDBPPVIRW-UHFFFAOYSA-N 0 0 458.603 4.720 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(I)cc1OC ZINC001456022428 1066479219 /nfs/dbraw/zinc/47/92/19/1066479219.db2.gz ZTCZCTLGSVDTTC-QGZVFWFLSA-N 0 0 451.304 4.676 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCN(C(=O)OC(C)(C)C)C3CC3)C2)cc1 ZINC001361167081 1066479224 /nfs/dbraw/zinc/47/92/24/1066479224.db2.gz GODRXGODCNLKKX-MUUNZHRXSA-N 0 0 497.684 4.673 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CCC(C)C)C2)cc1 ZINC001361167061 1066479278 /nfs/dbraw/zinc/47/92/78/1066479278.db2.gz GBRIIBGCFISVGY-WXVAWEFUSA-N 0 0 483.657 4.803 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001456022730 1066479804 /nfs/dbraw/zinc/47/98/04/1066479804.db2.gz YUPZWQQHHWYMAG-YADHBBJMSA-N 0 0 452.551 4.679 20 0 JJADRN O=C(CSCc1coc(-c2ccccc2)n1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001456023309 1066479814 /nfs/dbraw/zinc/47/98/14/1066479814.db2.gz UEUUAFXHEFFNRF-UHFFFAOYSA-N 0 0 454.939 4.637 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCC(NC(=O)C(C)C)CC3)co2)cc1 ZINC001361167209 1066479949 /nfs/dbraw/zinc/47/99/49/1066479949.db2.gz KGDMVKMIFLDDQM-UHFFFAOYSA-N 0 0 492.668 4.814 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001361167161 1066479978 /nfs/dbraw/zinc/47/99/78/1066479978.db2.gz IZFUMDURFOFREL-DFHRPNOPSA-N 0 0 497.684 4.673 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc([C@@H]4CCCCO4)n3CCCSCC(C)C)C2)cc1 ZINC001361167368 1066479985 /nfs/dbraw/zinc/47/99/85/1066479985.db2.gz OJBYZWLXQRVWPZ-WIOPSUGQSA-N 0 0 458.672 4.705 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)NC[C@H]3[C@@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)s2)c(C)c1 ZINC001444602124 1066480122 /nfs/dbraw/zinc/48/01/22/1066480122.db2.gz GOJJOODABMKNID-AEFFLSMTSA-N 0 0 459.612 4.917 20 0 JJADRN COc1cc(Br)cc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1 ZINC001456026371 1066480550 /nfs/dbraw/zinc/48/05/50/1066480550.db2.gz CCFBXGQXXYPTLU-IBGZPJMESA-N 0 0 451.792 4.896 20 0 JJADRN Cc1sc(=O)n(CC(=O)NC(C)(C)Cc2ccc(Br)cc2)c1-c1ccccc1 ZINC001361167627 1066480641 /nfs/dbraw/zinc/48/06/41/1066480641.db2.gz AUDFLOGTHFDWNB-UHFFFAOYSA-N 0 0 459.409 4.785 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCCCNC(=O)OC(C)(C)C)C2)cc1 ZINC001361167499 1066480700 /nfs/dbraw/zinc/48/07/00/1066480700.db2.gz RVSWUMLOXYHKLM-HHHXNRCGSA-N 0 0 485.673 4.578 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)C)n3CCC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC001361167450 1066480732 /nfs/dbraw/zinc/48/07/32/1066480732.db2.gz QTQUSIILVFSBFE-RUZDIDTESA-N 0 0 493.618 4.547 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001444605012 1066480748 /nfs/dbraw/zinc/48/07/48/1066480748.db2.gz IMXSKRKSHSGGGW-JTSKRJEESA-N 0 0 452.551 4.656 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001444605636 1066480936 /nfs/dbraw/zinc/48/09/36/1066480936.db2.gz JIKXEZRUSLSCRM-NHYWBVRUSA-N 0 0 450.885 4.849 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C4CCCC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361167800 1066481409 /nfs/dbraw/zinc/48/14/09/1066481409.db2.gz WROFQJVCZKRQBV-CCLHPLFOSA-N 0 0 483.657 4.597 20 0 JJADRN Cc1c(I)ccc(NC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1C ZINC001456028550 1066481445 /nfs/dbraw/zinc/48/14/45/1066481445.db2.gz AYSGEDDPLYNGRL-IBGZPJMESA-N 0 0 458.340 4.636 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)NC[C@@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)cs2)c1 ZINC001444608735 1066481515 /nfs/dbraw/zinc/48/15/15/1066481515.db2.gz MMQZJIJRFRYWJZ-QFBILLFUSA-N 0 0 459.612 4.538 20 0 JJADRN CCCc1c(C(=O)Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)cnn1-c1ccccc1 ZINC001444606073 1066481600 /nfs/dbraw/zinc/48/16/00/1066481600.db2.gz POLREYIWDLKNKX-UHFFFAOYSA-N 0 0 459.550 4.603 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001361168966 1066482692 /nfs/dbraw/zinc/48/26/92/1066482692.db2.gz QPDNTFALSKJIQO-QRWLVFNGSA-N 0 0 451.995 4.845 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cc(Cl)ncc1Br ZINC001456030622 1066482948 /nfs/dbraw/zinc/48/29/48/1066482948.db2.gz OXALOOHBLQVHSN-OAHLLOKOSA-N 0 0 457.199 4.935 20 0 JJADRN CCCCOCCN(C(=O)CN(C)c1ccc(Cl)cn1)c1cccc(Br)c1 ZINC001444613263 1066482967 /nfs/dbraw/zinc/48/29/67/1066482967.db2.gz BZYJUXWUTDVBSA-UHFFFAOYSA-N 0 0 454.796 4.784 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2CCCn2cc(Br)cn2)o1 ZINC001361169472 1066483638 /nfs/dbraw/zinc/48/36/38/1066483638.db2.gz FNPRYAGNIKJFSO-HNNXBMFYSA-N 0 0 459.348 4.686 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2CCC(=O)N2CCCCCC2)o1 ZINC001361169639 1066483660 /nfs/dbraw/zinc/48/36/60/1066483660.db2.gz IGLYRYKDJGCKGC-NVXHTHCOSA-N 0 0 497.665 4.574 20 0 JJADRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001444614561 1066483712 /nfs/dbraw/zinc/48/37/12/1066483712.db2.gz KKDMKAFCHILAKV-HXUWFJFHSA-N 0 0 457.361 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2Cc2nc(C)c(C)s2)o1 ZINC001361169670 1066484170 /nfs/dbraw/zinc/48/41/70/1066484170.db2.gz IVDDKHFIPYSASU-FTDQSSOUSA-N 0 0 469.636 4.903 20 0 JJADRN Cc1c(I)ccc(NC(=O)C2=C(c3ccccc3)SCCO2)c1C ZINC001456032933 1066484223 /nfs/dbraw/zinc/48/42/23/1066484223.db2.gz XVFHKEBQTANIGC-UHFFFAOYSA-N 0 0 451.329 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@H]2CCO[C@H](C)C2)o1 ZINC001361169746 1066484587 /nfs/dbraw/zinc/48/45/87/1066484587.db2.gz JVAIQOXDXBKTBD-YSTJGLGPSA-N 0 0 470.639 4.987 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001444618836 1066484793 /nfs/dbraw/zinc/48/47/93/1066484793.db2.gz GWJHUABJBXWRSK-DYESRHJHSA-N 0 0 454.571 4.599 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361170445 1066485060 /nfs/dbraw/zinc/48/50/60/1066485060.db2.gz HYUARDMMLYEUJV-GOSISDBHSA-N 0 0 483.613 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2(C(C)C)CC2)cc1Br ZINC001361170203 1066485195 /nfs/dbraw/zinc/48/51/95/1066485195.db2.gz NFJFZWPOBMFHDG-IRXDYDNUSA-N 0 0 497.503 4.710 20 0 JJADRN CCCCOCCN(C(=O)[C@H]1CCCN(C(C)(C)C)C1=O)c1cccc(Br)c1 ZINC001444622194 1066485128 /nfs/dbraw/zinc/48/51/28/1066485128.db2.gz TYOBRJWGTHLRIJ-LJQANCHMSA-N 0 0 453.421 4.636 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)o2)c1 ZINC001456034800 1066485271 /nfs/dbraw/zinc/48/52/71/1066485271.db2.gz BSAJDFOYMGLOLI-FQEVSTJZSA-N 0 0 456.340 4.688 20 0 JJADRN CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC001456036326 1066485911 /nfs/dbraw/zinc/48/59/11/1066485911.db2.gz DXYSBKWXRBVTSS-DVECYGJZSA-N 0 0 458.624 4.777 20 0 JJADRN Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC001361170524 1066485849 /nfs/dbraw/zinc/48/58/49/1066485849.db2.gz JNISFHYDVOTVRQ-UHFFFAOYSA-N 0 0 451.324 4.687 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)n2CCCOC(F)(F)F)o1 ZINC001361170638 1066485886 /nfs/dbraw/zinc/48/58/86/1066485886.db2.gz PHDRINVQRMZMPW-INIZCTEOSA-N 0 0 493.486 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOc2ccccc2)o1 ZINC001361170688 1066485892 /nfs/dbraw/zinc/48/58/92/1066485892.db2.gz IXCQGHFZOCTBGA-UHFFFAOYSA-N 0 0 481.597 4.761 20 0 JJADRN CC(C)n1c(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nc2ccccc21 ZINC001444631568 1066486050 /nfs/dbraw/zinc/48/60/50/1066486050.db2.gz NRCAALKPAJKHEG-IBGZPJMESA-N 0 0 454.546 4.681 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCC[C@H]3c3ccc(C)o3)cc(C(C)C)nc21 ZINC001444631946 1066486066 /nfs/dbraw/zinc/48/60/66/1066486066.db2.gz XENYEZIIAYSTLA-IBGZPJMESA-N 0 0 452.555 4.689 20 0 JJADRN C[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444629344 1066486127 /nfs/dbraw/zinc/48/61/27/1066486127.db2.gz UOETWGNBWZZZND-GUYCJALGSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)c3ccc(Br)cc3Br)o2)c1 ZINC001456038970 1066487098 /nfs/dbraw/zinc/48/70/98/1066487098.db2.gz PCSKYSMKKDGDOB-UHFFFAOYSA-N 0 0 452.102 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2CC(C)C)cc1Br ZINC001361171340 1066487211 /nfs/dbraw/zinc/48/72/11/1066487211.db2.gz OCGYAFSOKOOGGE-LJQANCHMSA-N 0 0 457.420 4.919 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001456039040 1066487843 /nfs/dbraw/zinc/48/78/43/1066487843.db2.gz RFTYFWHZWWPUKB-PZJWPPBQSA-N 0 0 450.476 4.848 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC001361171871 1066488051 /nfs/dbraw/zinc/48/80/51/1066488051.db2.gz SYSBOUZGQOAQJH-GOSISDBHSA-N 0 0 495.624 4.877 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001456041983 1066488933 /nfs/dbraw/zinc/48/89/33/1066488933.db2.gz ZTPNFOAAEUITLN-AVRDEDQJSA-N 0 0 459.468 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361172139 1066489243 /nfs/dbraw/zinc/48/92/43/1066489243.db2.gz ZQEZFNCIQQYPMF-MRXNPFEDSA-N 0 0 451.493 4.634 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CC3)n2CCCCNC(=O)OC(C)(C)C)cc1Br ZINC001361172083 1066489336 /nfs/dbraw/zinc/48/93/36/1066489336.db2.gz WGZNODLLPXYGII-UHFFFAOYSA-N 0 0 478.435 4.920 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001456044524 1066489545 /nfs/dbraw/zinc/48/95/45/1066489545.db2.gz BPKMSIPQPZCQOQ-NSHDSACASA-N 0 0 459.456 4.623 20 0 JJADRN CCc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c2c(n1)onc2C(C)C ZINC001456044774 1066490093 /nfs/dbraw/zinc/49/00/93/1066490093.db2.gz AGXSZRBCCNTVBF-IBGZPJMESA-N 0 0 452.580 4.679 20 0 JJADRN CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)c1ccc(Cl)cn1 ZINC001456045791 1066490116 /nfs/dbraw/zinc/49/01/16/1066490116.db2.gz VVBQJJQYCKGKIC-UHFFFAOYSA-N 0 0 454.310 4.605 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456045315 1066490165 /nfs/dbraw/zinc/49/01/65/1066490165.db2.gz ARELQKIDIWEMTE-LZNRXBQRSA-N 0 0 459.409 4.575 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001456044694 1066490171 /nfs/dbraw/zinc/49/01/71/1066490171.db2.gz DCTMMYXEZHFIMS-XHDPSFHLSA-N 0 0 457.543 4.567 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456045173 1066490174 /nfs/dbraw/zinc/49/01/74/1066490174.db2.gz BGTLGBQMPWENJE-PPHZAIPVSA-N 0 0 452.595 4.854 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1cc(Br)ccc1Cl ZINC001361173653 1066490735 /nfs/dbraw/zinc/49/07/35/1066490735.db2.gz ULKGXOSGHZRFHD-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)nc(-c2ccc(Cl)cc2)n1 ZINC001456046278 1066490707 /nfs/dbraw/zinc/49/07/07/1066490707.db2.gz FALGYUNKBXIXNK-HXUWFJFHSA-N 0 0 452.967 4.568 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@@]2(O)CCCC2(C)C)cc1Br ZINC001361174119 1066491213 /nfs/dbraw/zinc/49/12/13/1066491213.db2.gz MYDRKTQQZATWQJ-JTSKRJEESA-N 0 0 479.488 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CCc2sc(C)nc2C)o1 ZINC001361173953 1066491278 /nfs/dbraw/zinc/49/12/78/1066491278.db2.gz LDZRRFLVQWJHOR-IBGZPJMESA-N 0 0 492.649 4.818 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001456046302 1066491158 /nfs/dbraw/zinc/49/11/58/1066491158.db2.gz DZKWYLBUJQERQG-SJKOYZFVSA-N 0 0 453.395 4.562 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(Cc3ccccc3F)s2)c1C ZINC001456046570 1066491266 /nfs/dbraw/zinc/49/12/66/1066491266.db2.gz FTHWCHBIPXELCB-IBGZPJMESA-N 0 0 455.580 4.644 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1OC1CCCC1 ZINC001456046591 1066491300 /nfs/dbraw/zinc/49/13/00/1066491300.db2.gz GKAAPRVRWLWXHU-OAQYLSRUSA-N 0 0 454.592 4.787 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(Br)c2Cl)c(C)c1 ZINC001456047523 1066491449 /nfs/dbraw/zinc/49/14/49/1066491449.db2.gz JMQCHLXSMIXQQC-INIZCTEOSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CN(Cc2ccccc2)c2ccccc2)c1C ZINC001456047228 1066491617 /nfs/dbraw/zinc/49/16/17/1066491617.db2.gz HJHXOIZOXJDVGM-RUZDIDTESA-N 0 0 459.615 4.850 20 0 JJADRN Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1Cl ZINC001456047540 1066491649 /nfs/dbraw/zinc/49/16/49/1066491649.db2.gz HRFLPFSALPYSHV-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361174812 1066491594 /nfs/dbraw/zinc/49/15/94/1066491594.db2.gz XIMZOSDJMFFTJK-MHZLTWQESA-N 0 0 491.592 4.656 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2Cc2ccncc2Cl)o1 ZINC001361174586 1066491626 /nfs/dbraw/zinc/49/16/26/1066491626.db2.gz UIIGNXXGLLKSDE-UHFFFAOYSA-N 0 0 464.957 4.635 20 0 JJADRN Cc1cc2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3C)oc2c(Br)c1 ZINC001456047169 1066491743 /nfs/dbraw/zinc/49/17/43/1066491743.db2.gz HGAPJYYITRWGHH-QGZVFWFLSA-N 0 0 459.365 4.966 20 0 JJADRN CCC(CC)(CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)NC(=O)OC(C)(C)C ZINC001444671792 1066491756 /nfs/dbraw/zinc/49/17/56/1066491756.db2.gz XZEINEWKMUDMCM-UHFFFAOYSA-N 0 0 452.958 4.787 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001444677694 1066492144 /nfs/dbraw/zinc/49/21/44/1066492144.db2.gz UVFFYDYSRODYFO-ZIAGYGMSSA-N 0 0 454.785 4.550 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCO[C@@H](C)C2)cc1Br ZINC001361175082 1066492212 /nfs/dbraw/zinc/49/22/12/1066492212.db2.gz BOZMRTCLVSHKAA-UONOGXRCSA-N 0 0 461.326 4.830 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001444676544 1066492324 /nfs/dbraw/zinc/49/23/24/1066492324.db2.gz TVJQETKAERQHSE-VLIAUNLRSA-N 0 0 452.769 4.925 20 0 JJADRN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444689817 1066493420 /nfs/dbraw/zinc/49/34/20/1066493420.db2.gz JNRSNXUJVPUPPY-BBRCJUOPSA-N 0 0 452.595 4.870 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2CCCOC[C@H]2CCCO2)cc1Br ZINC001361175687 1066493432 /nfs/dbraw/zinc/49/34/32/1066493432.db2.gz UWMTYWNGSJACSW-LJQANCHMSA-N 0 0 465.436 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CCSCC(C)C)o1 ZINC001361175662 1066493471 /nfs/dbraw/zinc/49/34/71/1066493471.db2.gz UKWBLZCUEXHJEB-UHFFFAOYSA-N 0 0 455.628 4.927 20 0 JJADRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C ZINC001361175785 1066493789 /nfs/dbraw/zinc/49/37/89/1066493789.db2.gz CFXVNZOGDUEOCR-LJQANCHMSA-N 0 0 452.576 4.946 20 0 JJADRN C[C@H]1CC(=O)Nc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)cc2N1 ZINC001444694268 1066493645 /nfs/dbraw/zinc/49/36/45/1066493645.db2.gz YJWHOUYNKVZFRV-HNNXBMFYSA-N 0 0 456.384 4.834 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001444694658 1066493808 /nfs/dbraw/zinc/49/38/08/1066493808.db2.gz PGYKKSVYHKINAR-QGZVFWFLSA-N 0 0 458.967 4.647 20 0 JJADRN O=C(Cc1cccnc1Br)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001444694548 1066494006 /nfs/dbraw/zinc/49/40/06/1066494006.db2.gz YYVQRBHUXJLLBU-UHFFFAOYSA-N 0 0 452.190 4.777 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545968548 1066494652 /nfs/dbraw/zinc/49/46/52/1066494652.db2.gz HGZKIMQLRBAGFE-HZPDHXFCSA-N 0 0 453.450 4.855 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC(=O)N(C)C2CCCCC2)o1 ZINC001361177365 1066495181 /nfs/dbraw/zinc/49/51/81/1066495181.db2.gz APJPTKHQDJOQOI-UHFFFAOYSA-N 0 0 490.402 4.630 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC001456053718 1066495176 /nfs/dbraw/zinc/49/51/76/1066495176.db2.gz HQBHNNVTKJWAHV-WCAVRKLYSA-N 0 0 456.608 4.777 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2Cl)c(C)c1 ZINC001444710281 1066495735 /nfs/dbraw/zinc/49/57/35/1066495735.db2.gz YLMYPYRNEIWQHM-UPVQGACJSA-N 0 0 451.954 4.662 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001456055204 1066495894 /nfs/dbraw/zinc/49/58/94/1066495894.db2.gz RKVVPPMFWAFBFB-QRQCRPRQSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccccn1 ZINC001361177439 1066495848 /nfs/dbraw/zinc/49/58/48/1066495848.db2.gz DQOIAFSSVIKPOT-UHFFFAOYSA-N 0 0 494.441 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2ccc(N(C)C)cc2)o1 ZINC001361177494 1066495937 /nfs/dbraw/zinc/49/59/37/1066495937.db2.gz GLVSGIYITAIECD-UHFFFAOYSA-N 0 0 450.974 4.840 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545968728 1066495953 /nfs/dbraw/zinc/49/59/53/1066495953.db2.gz KNZRPFMPFVJWKA-ROUUACIJSA-N 0 0 478.037 4.717 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2Cc2nccc(C(F)F)n2)o1 ZINC001361177625 1066496553 /nfs/dbraw/zinc/49/65/53/1066496553.db2.gz KUTSVQBBLIXOSA-UHFFFAOYSA-N 0 0 479.285 4.614 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)(C)C)C1 ZINC001546078919 1066496763 /nfs/dbraw/zinc/49/67/63/1066496763.db2.gz BSABQFTYAVPKNY-QHCPKHFHSA-N 0 0 482.456 4.953 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)cc3C)cc2c1 ZINC001456057981 1066497309 /nfs/dbraw/zinc/49/73/09/1066497309.db2.gz YBPKNOWMCAUFKP-FQEVSTJZSA-N 0 0 455.967 4.667 20 0 JJADRN C[C@@H](CC(=O)NCc1cc(N(C)C)nc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444722161 1066497383 /nfs/dbraw/zinc/49/73/83/1066497383.db2.gz QMQANBVRXXDPCG-OALUTQOASA-N 0 0 454.615 4.590 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@]2(O)CCC[C@@H]2C)o1 ZINC001361177896 1066497624 /nfs/dbraw/zinc/49/76/24/1066497624.db2.gz BHGMOFBPVCHAIH-OYHNWAKOSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C(C)C ZINC001361177923 1066497651 /nfs/dbraw/zinc/49/76/51/1066497651.db2.gz VFKDJICDPOKPHP-QFIPXVFZSA-N 0 0 476.419 4.664 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@@H](c2c(F)cccc2F)N(C)C)o1 ZINC001361178100 1066498152 /nfs/dbraw/zinc/49/81/52/1066498152.db2.gz ZWFLTCBGLUBQPJ-SFHVURJKSA-N 0 0 472.565 4.829 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)c(C)c3)cc2c1 ZINC001456060306 1066498455 /nfs/dbraw/zinc/49/84/55/1066498455.db2.gz WNJDCURPLQWILP-HXUWFJFHSA-N 0 0 455.967 4.667 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)NC(C)(C)C)c3cnn(C(C)C)c3n2)s1 ZINC001456061385 1066498846 /nfs/dbraw/zinc/49/88/46/1066498846.db2.gz VTPHPQNDVKBNQF-LJQANCHMSA-N 0 0 453.612 4.568 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(F)(F)c2ccccc2Br)c(OC(F)F)c1 ZINC001456062398 1066498864 /nfs/dbraw/zinc/49/88/64/1066498864.db2.gz UALZLHWHWIQXID-UHFFFAOYSA-N 0 0 450.182 4.568 20 0 JJADRN C[C@@H]1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)[C@@H](c2ccco2)C1 ZINC001444731481 1066498894 /nfs/dbraw/zinc/49/88/94/1066498894.db2.gz FUAKKVUQMKUKNX-YLJYHZDGSA-N 0 0 452.555 4.654 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C)NC(=O)OC(C)(C)C ZINC001545968919 1066499448 /nfs/dbraw/zinc/49/94/48/1066499448.db2.gz NXXSSHIIEYTDLY-KNQAVFIVSA-N 0 0 493.656 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC2([S@@](C)=O)CCC2)o1 ZINC001361178685 1066499537 /nfs/dbraw/zinc/49/95/37/1066499537.db2.gz PQXPEMWPVQLMKI-JGCGQSQUSA-N 0 0 466.529 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CCn2ccnc2C)o1 ZINC001361178582 1066499603 /nfs/dbraw/zinc/49/96/03/1066499603.db2.gz OZGKWSJXFKNXDH-UHFFFAOYSA-N 0 0 462.451 4.846 20 0 JJADRN CCN(C(=O)CC1(CNC(=O)OC(C)(C)C)CC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456063053 1066499710 /nfs/dbraw/zinc/49/97/10/1066499710.db2.gz DERWGLHDVYJVMJ-QFIPXVFZSA-N 0 0 459.537 4.993 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccncc2)c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456066983 1066500011 /nfs/dbraw/zinc/50/00/11/1066500011.db2.gz PLRHDVYRSRTEKA-AREMUKBSSA-N 0 0 454.578 4.800 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCOCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001361179024 1066500201 /nfs/dbraw/zinc/50/02/01/1066500201.db2.gz NMQRPUVFQUNMHF-LJQANCHMSA-N 0 0 452.473 4.604 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)nnn1-c1ccc(OC(C)C)cc1 ZINC001361180186 1066500565 /nfs/dbraw/zinc/50/05/65/1066500565.db2.gz QQTVTIJLTKEVER-INIZCTEOSA-N 0 0 452.559 4.539 20 0 JJADRN O=C(NCc1nc2cc(F)ccc2[nH]1)c1cc(Br)ccc1OCc1ccccc1 ZINC001444744873 1066500768 /nfs/dbraw/zinc/50/07/68/1066500768.db2.gz NXNXUXUTPLIRSX-UHFFFAOYSA-N 0 0 454.299 4.974 20 0 JJADRN CCN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456068866 1066501033 /nfs/dbraw/zinc/50/10/33/1066501033.db2.gz WIRLSBUYSKJEPR-DEOSSOPVSA-N 0 0 455.480 4.647 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545968995 1066501082 /nfs/dbraw/zinc/50/10/82/1066501082.db2.gz PFHHXOQHZJZTKB-GBESFXJTSA-N 0 0 459.660 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@]2(C)CCCS2)cc1Br ZINC001361180736 1066501494 /nfs/dbraw/zinc/50/14/94/1066501494.db2.gz HBUDFIQLIIYQFN-NRFANRHFSA-N 0 0 475.460 4.672 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCO[C@H]2CCCC[C@@H]2C)o1 ZINC001361180694 1066501635 /nfs/dbraw/zinc/50/16/35/1066501635.db2.gz FYEHHGLWFWDWGU-YJBOKZPZSA-N 0 0 480.535 4.831 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC001456069292 1066501634 /nfs/dbraw/zinc/50/16/34/1066501634.db2.gz YGBMAJBLNNKHFR-SFHVURJKSA-N 0 0 454.014 4.776 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545968673 1066501664 /nfs/dbraw/zinc/50/16/64/1066501664.db2.gz JETNOBURWJSHPD-MBOZVWFJSA-N 0 0 478.037 4.763 20 0 JJADRN CC[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1)c1nc(C(F)(F)F)cs1 ZINC001444753271 1066501757 /nfs/dbraw/zinc/50/17/57/1066501757.db2.gz ZYHNFBGVDSOECH-SECBINFHSA-N 0 0 452.380 4.661 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545969019 1066501767 /nfs/dbraw/zinc/50/17/67/1066501767.db2.gz PNOBYNGPNYVXQM-OAQYLSRUSA-N 0 0 494.640 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCc2nccs2)cc1Br ZINC001361181007 1066501967 /nfs/dbraw/zinc/50/19/67/1066501967.db2.gz CXWYGSWEUPZNAU-UHFFFAOYSA-N 0 0 475.441 4.808 20 0 JJADRN CCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001456070701 1066502060 /nfs/dbraw/zinc/50/20/60/1066502060.db2.gz FBYAMSWPGVNUCT-XMMPIXPASA-N 0 0 459.571 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361180998 1066502074 /nfs/dbraw/zinc/50/20/74/1066502074.db2.gz CRQAEESSZKDWAR-UHFFFAOYSA-N 0 0 475.778 4.796 20 0 JJADRN CCN(C(=O)c1ccc(I)cn1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001456070810 1066502178 /nfs/dbraw/zinc/50/21/78/1066502178.db2.gz FVVNZLSCZPDELA-HXUWFJFHSA-N 0 0 457.315 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181231 1066502421 /nfs/dbraw/zinc/50/24/21/1066502421.db2.gz IABBYHFGMRFDRO-QFBILLFUSA-N 0 0 455.559 4.721 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001361181046 1066502438 /nfs/dbraw/zinc/50/24/38/1066502438.db2.gz NYCLBOLGJRXVFA-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN CCN(CC1CCN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1)C(=O)OC(C)(C)C ZINC001444770260 1066503287 /nfs/dbraw/zinc/50/32/87/1066503287.db2.gz RJPUZSYNUISJBX-UHFFFAOYSA-N 0 0 454.615 4.657 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001361181513 1066503629 /nfs/dbraw/zinc/50/36/29/1066503629.db2.gz ZYIHRJHRKSFAFU-OAHLLOKOSA-N 0 0 498.429 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181575 1066503731 /nfs/dbraw/zinc/50/37/31/1066503731.db2.gz OWJHOXRQRXSSJL-QAPCUYQASA-N 0 0 472.615 4.585 20 0 JJADRN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001456076633 1066503965 /nfs/dbraw/zinc/50/39/65/1066503965.db2.gz IJNMOFFBVDEKLH-FBROZUCGSA-N 0 0 454.636 4.762 20 0 JJADRN CCN(C(=O)c1nn2c(c1Br)CCC2)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456076782 1066504067 /nfs/dbraw/zinc/50/40/67/1066504067.db2.gz RBMHNODOYNNPQJ-FQEVSTJZSA-N 0 0 459.775 4.892 20 0 JJADRN C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001456076636 1066504084 /nfs/dbraw/zinc/50/40/84/1066504084.db2.gz IJNMOFFBVDEKLH-PDFGSZSQSA-N 0 0 454.636 4.762 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cn1 ZINC001444788635 1066504148 /nfs/dbraw/zinc/50/41/48/1066504148.db2.gz SBRGYXAVKDDPOO-UHFFFAOYSA-N 0 0 450.461 4.694 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)CC2)cc1 ZINC001444789628 1066504263 /nfs/dbraw/zinc/50/42/63/1066504263.db2.gz WMPRQDGDUJPRNR-UHFFFAOYSA-N 0 0 458.484 4.561 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2Br)cc1 ZINC001361182345 1066504637 /nfs/dbraw/zinc/50/46/37/1066504637.db2.gz UUXMGMIOGRBOLU-UHFFFAOYSA-N 0 0 457.365 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CC[C@H]2CCOC2)cc1Br ZINC001361182816 1066505071 /nfs/dbraw/zinc/50/50/71/1066505071.db2.gz BMTYKJKFZKDCLM-HJOIGYKYSA-N 0 0 451.384 4.627 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ncc(I)cc1C ZINC001361183231 1066505545 /nfs/dbraw/zinc/50/55/45/1066505545.db2.gz PAPUNRNPLBWPRT-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C2CC2)nc1C ZINC001456079387 1066505515 /nfs/dbraw/zinc/50/55/15/1066505515.db2.gz YFXHTQPHEIDBCT-GJZGRUSLSA-N 0 0 454.470 4.826 20 0 JJADRN C[C@H](CC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444804234 1066505926 /nfs/dbraw/zinc/50/59/26/1066505926.db2.gz MQJBUGTZTHMEEQ-ZACQAIPSSA-N 0 0 457.036 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CCO[C@@H](c4ccc(Cl)s4)C3)CC2)CC1 ZINC001444804152 1066506032 /nfs/dbraw/zinc/50/60/32/1066506032.db2.gz MLJHSTSATJUDIM-MRXNPFEDSA-N 0 0 455.020 4.729 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H]2CCCO2)cc1Br ZINC001361183640 1066505958 /nfs/dbraw/zinc/50/59/58/1066505958.db2.gz NOTKKKWTKAPPMF-INIZCTEOSA-N 0 0 455.347 4.677 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)c2)o1 ZINC001361183816 1066505979 /nfs/dbraw/zinc/50/59/79/1066505979.db2.gz ZPKZJUAZTWRRNI-VWLOTQADSA-N 0 0 456.546 4.774 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)nc1C ZINC001456084056 1066505964 /nfs/dbraw/zinc/50/59/64/1066505964.db2.gz GCAHREFKOWGOJO-UHFFFAOYSA-N 0 0 454.939 4.897 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC001456084154 1066506159 /nfs/dbraw/zinc/50/61/59/1066506159.db2.gz VCVSQBVIRWOIEF-AWEZNQCLSA-N 0 0 455.447 4.658 20 0 JJADRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001444807191 1066506535 /nfs/dbraw/zinc/50/65/35/1066506535.db2.gz ILPGEWAARAHBJR-UHFFFAOYSA-N 0 0 457.759 4.801 20 0 JJADRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccn(CCC(F)(F)F)n1 ZINC001456090483 1066507468 /nfs/dbraw/zinc/50/74/68/1066507468.db2.gz WEUMZROHOIHGRU-UHFFFAOYSA-N 0 0 453.468 4.677 20 0 JJADRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001444810168 1066507597 /nfs/dbraw/zinc/50/75/97/1066507597.db2.gz UEUDJKFZWULQNM-ZEQRLZLVSA-N 0 0 452.576 4.557 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(C)C)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361184400 1066507583 /nfs/dbraw/zinc/50/75/83/1066507583.db2.gz IYVVSUAMUJERFQ-MRXNPFEDSA-N 0 0 457.363 4.923 20 0 JJADRN CS(=O)(=O)c1ccc(OCCNC(=O)c2cc(Cl)ccc2SC2CCCC2)cc1 ZINC001456089185 1066507707 /nfs/dbraw/zinc/50/77/07/1066507707.db2.gz SGHDHWUYPXULCH-UHFFFAOYSA-N 0 0 454.013 4.587 20 0 JJADRN O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N(Cc1ccccc1F)c1ccccc1F ZINC001456089756 1066507750 /nfs/dbraw/zinc/50/77/50/1066507750.db2.gz GTVDISKSSPNYFM-HXUWFJFHSA-N 0 0 452.476 4.728 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@](C)(O)CCC(C)C)cc1Br ZINC001361184707 1066508073 /nfs/dbraw/zinc/50/80/73/1066508073.db2.gz RFVSIIPAMADEOM-MBSDFSHPSA-N 0 0 479.463 4.676 20 0 JJADRN Cc1noc(C)c1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001361184802 1066508170 /nfs/dbraw/zinc/50/81/70/1066508170.db2.gz UYYZIFAUGOGQCS-SFHVURJKSA-N 0 0 488.430 4.726 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2ccccn2)C1 ZINC001546079335 1066508203 /nfs/dbraw/zinc/50/82/03/1066508203.db2.gz KHANQXYHUCORCG-RXFWQSSRSA-N 0 0 483.661 4.874 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001444813338 1066508219 /nfs/dbraw/zinc/50/82/19/1066508219.db2.gz YSIKRYUDAHLPDO-GFCCVEGCSA-N 0 0 455.388 4.600 20 0 JJADRN CCn1c(SCC(=O)NCc2nc(C)c(C)s2)nnc1-c1ccc(Cl)cc1Cl ZINC001444811823 1066508273 /nfs/dbraw/zinc/50/82/73/1066508273.db2.gz KUAFKHHMMPIXNE-UHFFFAOYSA-N 0 0 456.424 4.754 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)c2ccc(-c3ccc(Br)s3)s2)cc1 ZINC001456093452 1066508427 /nfs/dbraw/zinc/50/84/27/1066508427.db2.gz YCJHVQUIXSBBSR-UHFFFAOYSA-N 0 0 451.367 4.616 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 ZINC001456095022 1066508694 /nfs/dbraw/zinc/50/86/94/1066508694.db2.gz IZQINNRFXCGUGO-QKKBWIMNSA-N 0 0 451.614 4.841 20 0 JJADRN C[C@H](CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F ZINC001444814891 1066508863 /nfs/dbraw/zinc/50/88/63/1066508863.db2.gz RXYHKQLEVLOCOV-MRXNPFEDSA-N 0 0 450.485 4.723 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)C1 ZINC001444816089 1066508912 /nfs/dbraw/zinc/50/89/12/1066508912.db2.gz SBKHZLPVLMKCTC-YHYVQYDKSA-N 0 0 456.562 4.818 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001444820839 1066509386 /nfs/dbraw/zinc/50/93/86/1066509386.db2.gz ACOMXFIPESCUIK-CYBMUJFWSA-N 0 0 456.892 4.971 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccc(O)cc2)C1 ZINC001546079388 1066509400 /nfs/dbraw/zinc/50/94/00/1066509400.db2.gz LDKAEQPOHGNFMT-HFZDXXHNSA-N 0 0 469.630 4.925 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)c2cnc3cc(F)c(F)cc3c2O)c(C(F)(F)F)c1 ZINC001444821234 1066510065 /nfs/dbraw/zinc/51/00/65/1066510065.db2.gz BECYCRNLERKGHE-UHFFFAOYSA-N 0 0 454.395 4.932 20 0 JJADRN Cn1ccnc1[C@H](CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)C(F)(F)F ZINC001444831082 1066510541 /nfs/dbraw/zinc/51/05/41/1066510541.db2.gz YCXPPVASABHQND-HNNXBMFYSA-N 0 0 451.411 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361186975 1066510457 /nfs/dbraw/zinc/51/04/57/1066510457.db2.gz ADMOOZYGGXKPEL-HSZRJFAPSA-N 0 0 478.515 4.550 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001546079493 1066510956 /nfs/dbraw/zinc/51/09/56/1066510956.db2.gz NQHSWNDDYYVVIM-OFVILXPXSA-N 0 0 493.668 4.861 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001444838686 1066511071 /nfs/dbraw/zinc/51/10/71/1066511071.db2.gz ITRYILRJLQMFIK-JOCHJYFZSA-N 0 0 451.391 4.724 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)o1 ZINC001444847296 1066511375 /nfs/dbraw/zinc/51/13/75/1066511375.db2.gz GPMJKRVXVOVHQY-NFAWXSAZSA-N 0 0 453.402 4.784 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCOc1ccccc1C(F)(F)F)c1ccccc1 ZINC001456115785 1066511986 /nfs/dbraw/zinc/51/19/86/1066511986.db2.gz DEPVKZHQACZBPI-QGZVFWFLSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2Cc2nc(C3CC3)cs2)cc1Br ZINC001361187405 1066512048 /nfs/dbraw/zinc/51/20/48/1066512048.db2.gz QMGGSBBJJAVZGW-UHFFFAOYSA-N 0 0 490.471 4.997 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2CCc2ccsc2)cc1Br ZINC001361187421 1066512118 /nfs/dbraw/zinc/51/21/18/1066512118.db2.gz RFFAQLKEHKIOHW-UHFFFAOYSA-N 0 0 463.445 4.919 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001546079557 1066512445 /nfs/dbraw/zinc/51/24/45/1066512445.db2.gz OWFCEKSCAOHNKK-XMMPIXPASA-N 0 0 474.049 4.786 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC001456117063 1066512542 /nfs/dbraw/zinc/51/25/42/1066512542.db2.gz UBVFXKNFQYCWMO-NZQKXSOJSA-N 0 0 459.656 4.695 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC001456117059 1066512598 /nfs/dbraw/zinc/51/25/98/1066512598.db2.gz UBVFXKNFQYCWMO-NFBKMPQASA-N 0 0 459.656 4.695 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC001456116047 1066512629 /nfs/dbraw/zinc/51/26/29/1066512629.db2.gz XFNRHYWSGOEEDR-NRFANRHFSA-N 0 0 455.986 4.982 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(OC)CCOC2)C1 ZINC001546079570 1066512641 /nfs/dbraw/zinc/51/26/41/1066512641.db2.gz PBEILWWECCLEBX-VXKWHMMOSA-N 0 0 469.413 4.596 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3)n2CC(=O)N(C)C2CCCCC2)o1 ZINC001361187743 1066512940 /nfs/dbraw/zinc/51/29/40/1066512940.db2.gz FFOWUVKDVHYKRW-UHFFFAOYSA-N 0 0 465.598 4.543 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1sccc1-n1ccnn1 ZINC001456117312 1066513008 /nfs/dbraw/zinc/51/30/08/1066513008.db2.gz LSQJWIILINLWNS-UHFFFAOYSA-N 0 0 457.437 4.852 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1csc(-c2cc(Br)cs2)n1)CC(C)C ZINC001456117948 1066513080 /nfs/dbraw/zinc/51/30/80/1066513080.db2.gz YDLFLYMNKODQGQ-GOSISDBHSA-N 0 0 459.431 4.979 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC001456117068 1066513156 /nfs/dbraw/zinc/51/31/56/1066513156.db2.gz UBVFXKNFQYCWMO-OFNKIYASSA-N 0 0 459.656 4.695 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)C2 ZINC001444853600 1066513208 /nfs/dbraw/zinc/51/32/08/1066513208.db2.gz HWAFBSOBPZKGNE-NIJIEXERSA-N 0 0 452.551 4.590 20 0 JJADRN CC[C@@](C)(CCCNC(=O)CSc1nccn1-c1cccc(Cl)c1C)C1OCCO1 ZINC001444854693 1066513720 /nfs/dbraw/zinc/51/37/20/1066513720.db2.gz SLNNNHXBUNBVGG-QFIPXVFZSA-N 0 0 452.020 4.612 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)CCO2 ZINC001444861537 1066514041 /nfs/dbraw/zinc/51/40/41/1066514041.db2.gz SVHJCZUNRAFBMB-HXUWFJFHSA-N 0 0 458.436 4.981 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001444859285 1066514115 /nfs/dbraw/zinc/51/41/15/1066514115.db2.gz UZVGJHGKTNRPCV-FXAWDEMLSA-N 0 0 459.587 4.688 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1NCc1cccnc1 ZINC001444862042 1066514152 /nfs/dbraw/zinc/51/41/52/1066514152.db2.gz TYLAAYYUVHHGCA-UHFFFAOYSA-N 0 0 454.368 4.997 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC001456120288 1066514125 /nfs/dbraw/zinc/51/41/25/1066514125.db2.gz HTZSOVBRXWUJEY-UHFFFAOYSA-N 0 0 456.340 4.597 20 0 JJADRN O=C(CCN1C(=O)c2ccccc2C1=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001361188458 1066514199 /nfs/dbraw/zinc/51/41/99/1066514199.db2.gz IUUXCLADLPKKSE-UHFFFAOYSA-N 0 0 458.480 4.710 20 0 JJADRN CC(C)(C)c1cnc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)s1 ZINC001444865777 1066514532 /nfs/dbraw/zinc/51/45/32/1066514532.db2.gz CRRFIBNNOGIAEP-UHFFFAOYSA-N 0 0 451.520 4.772 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCOc1ccccc1C(F)(F)F)c1ccccc1 ZINC001456121149 1066514720 /nfs/dbraw/zinc/51/47/20/1066514720.db2.gz SBRHMYRDZQIARK-SFHVURJKSA-N 0 0 452.473 4.857 20 0 JJADRN Cc1c(CSC(C)C)cccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001361188946 1066514677 /nfs/dbraw/zinc/51/46/77/1066514677.db2.gz QSZNIPSUIZLTLV-LJQANCHMSA-N 0 0 452.576 4.664 20 0 JJADRN CCC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)C1 ZINC001444864117 1066514966 /nfs/dbraw/zinc/51/49/66/1066514966.db2.gz XJAOQXWXHNUNPJ-VWLOTQADSA-N 0 0 458.624 4.871 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(Br)c(Cl)c1 ZINC001456124854 1066515090 /nfs/dbraw/zinc/51/50/90/1066515090.db2.gz MUPPDAUXGGIOKJ-GFCCVEGCSA-N 0 0 454.535 4.772 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001456122919 1066515199 /nfs/dbraw/zinc/51/51/99/1066515199.db2.gz LGWCFHSAIVDGSJ-UHFFFAOYSA-N 0 0 457.168 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1cc(F)c(Br)cc1F)C2 ZINC001456124720 1066515206 /nfs/dbraw/zinc/51/52/06/1066515206.db2.gz AJSCUUSTWSXQMG-FQEVSTJZSA-N 0 0 459.331 4.733 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(Br)cc(C)c1N ZINC001444875671 1066515463 /nfs/dbraw/zinc/51/54/63/1066515463.db2.gz VHFORTCRPWSSME-UHFFFAOYSA-N 0 0 456.178 4.643 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2Cc2cccc(Br)n2)o1 ZINC001361190237 1066515721 /nfs/dbraw/zinc/51/57/21/1066515721.db2.gz GOHGDHYVCVEWOL-UHFFFAOYSA-N 0 0 482.382 4.876 20 0 JJADRN CCn1ncc(Br)c1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444882732 1066515964 /nfs/dbraw/zinc/51/59/64/1066515964.db2.gz ALDSIDKPNMPNRU-UHFFFAOYSA-N 0 0 459.291 4.738 20 0 JJADRN Cc1ccc(F)cc1C(=O)C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456127331 1066516241 /nfs/dbraw/zinc/51/62/41/1066516241.db2.gz WOBHOQGPAOSFGA-NRFANRHFSA-N 0 0 454.542 4.745 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001456127256 1066516270 /nfs/dbraw/zinc/51/62/70/1066516270.db2.gz FLZQDHIZOBMZMZ-AREMUKBSSA-N 0 0 452.599 4.831 20 0 JJADRN O=C(CCc1nc2ccccc2oc1=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444888852 1066516464 /nfs/dbraw/zinc/51/64/64/1066516464.db2.gz KSVDXFBKHRSITB-UHFFFAOYSA-N 0 0 459.449 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)o1 ZINC001361190862 1066516583 /nfs/dbraw/zinc/51/65/83/1066516583.db2.gz AKNSASADPQCPCY-NRFANRHFSA-N 0 0 495.521 4.664 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2Cc2cccc(Br)n2)o1 ZINC001361190916 1066516741 /nfs/dbraw/zinc/51/67/41/1066516741.db2.gz WDNXXGXKZQMQIW-UHFFFAOYSA-N 0 0 482.382 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1c(Cl)ccnc1Br)C2 ZINC001456130458 1066517341 /nfs/dbraw/zinc/51/73/41/1066517341.db2.gz LNMPXJQEULQPAE-IBGZPJMESA-N 0 0 458.784 4.503 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)cc1Br ZINC001361191063 1066517343 /nfs/dbraw/zinc/51/73/43/1066517343.db2.gz FJSKIIIQNUWEAP-XMMPIXPASA-N 0 0 488.474 4.898 20 0 JJADRN C[C@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444904474 1066517485 /nfs/dbraw/zinc/51/74/85/1066517485.db2.gz JBEYJLBSLNOLNO-DJJJIMSYSA-N 0 0 450.457 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361191356 1066517767 /nfs/dbraw/zinc/51/77/67/1066517767.db2.gz PYSCRLUHSMMYJM-UHFFFAOYSA-N 0 0 455.525 4.821 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(F)c2C(=O)OC)ccc1OCCOc1ccccc1 ZINC001456132418 1066517690 /nfs/dbraw/zinc/51/76/90/1066517690.db2.gz FLIYXHTYGYNNER-UHFFFAOYSA-N 0 0 453.466 4.721 20 0 JJADRN Cc1ccc(CNC(=O)NCC(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)cc1 ZINC001444912677 1066517786 /nfs/dbraw/zinc/51/77/86/1066517786.db2.gz DFGHQNUILISQAW-XMMPIXPASA-N 0 0 453.945 4.801 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001546079909 1066518163 /nfs/dbraw/zinc/51/81/63/1066518163.db2.gz WRNBHBVVYDXWBS-RRQZXNHTSA-N 0 0 463.667 4.690 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)OCc3sc(-c4ccccc4)nc3C)CCC(=O)N2C)cc1 ZINC001456136530 1066518648 /nfs/dbraw/zinc/51/86/48/1066518648.db2.gz FJLCLAUBPMWEQO-NFBKMPQASA-N 0 0 450.560 4.780 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(C)c(F)c3)c2)cc1 ZINC001456138017 1066518658 /nfs/dbraw/zinc/51/86/58/1066518658.db2.gz LOGANZBQOFDRAB-UHFFFAOYSA-N 0 0 456.539 4.572 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)c1ccc(Cn2cc(Cl)cn2)s1)NC(=O)OC(C)(C)C ZINC001444929146 1066518787 /nfs/dbraw/zinc/51/87/87/1066518787.db2.gz DEYCJOZQDKYGGN-QGZVFWFLSA-N 0 0 455.024 4.658 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545970397 1066518928 /nfs/dbraw/zinc/51/89/28/1066518928.db2.gz CXDARJUMWZRIAA-QZTJIDSGSA-N 0 0 475.659 4.589 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC001361191833 1066519603 /nfs/dbraw/zinc/51/96/03/1066519603.db2.gz AMFNIULNHQRJJN-INIZCTEOSA-N 0 0 451.792 4.781 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2sc3ncccc3c2N)cc1OC ZINC001444940216 1066520070 /nfs/dbraw/zinc/52/00/70/1066520070.db2.gz SSRAYQWBFDIETH-UHFFFAOYSA-N 0 0 453.589 4.842 20 0 JJADRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444943668 1066520464 /nfs/dbraw/zinc/52/04/64/1066520464.db2.gz KGFDHMOMZRFBJM-ZWKOTPCHSA-N 0 0 454.514 4.862 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444943663 1066520558 /nfs/dbraw/zinc/52/05/58/1066520558.db2.gz KGFDHMOMZRFBJM-QZTJIDSGSA-N 0 0 454.514 4.862 20 0 JJADRN COCc1c(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001361193792 1066520488 /nfs/dbraw/zinc/52/04/88/1066520488.db2.gz XLFBALJNRWRSPI-YOEHRIQHSA-N 0 0 450.576 4.952 20 0 JJADRN CCCC1CCC(N(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)C(C)C)CC1 ZINC001456143005 1066520564 /nfs/dbraw/zinc/52/05/64/1066520564.db2.gz DNCBVKDTSLIBFZ-UHFFFAOYSA-N 0 0 452.661 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3cc(Br)ccc3F)n2CCC(C)(F)F)o1 ZINC001361194362 1066521153 /nfs/dbraw/zinc/52/11/53/1066521153.db2.gz LTEFMFOALPUJJS-UHFFFAOYSA-N 0 0 487.320 4.792 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001444951046 1066521353 /nfs/dbraw/zinc/52/13/53/1066521353.db2.gz RIKGVTIUIHLYBM-DYESRHJHSA-N 0 0 459.384 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCCS2)cc1Br ZINC001361194856 1066521598 /nfs/dbraw/zinc/52/15/98/1066521598.db2.gz YEHSPGVIALXADT-RDJZCZTQSA-N 0 0 465.461 4.915 20 0 JJADRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H](O)Cc1ccccc1Cl ZINC001444950580 1066521681 /nfs/dbraw/zinc/52/16/81/1066521681.db2.gz AOJPXFFNCVMCNJ-NFBKMPQASA-N 0 0 458.341 4.574 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@](C)(O)c2ccco2)cc1Br ZINC001361195487 1066522050 /nfs/dbraw/zinc/52/20/50/1066522050.db2.gz BYHZJJJYWNWGQY-ZMPRRUGASA-N 0 0 491.455 4.847 20 0 JJADRN CCCN(C(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456147302 1066522067 /nfs/dbraw/zinc/52/20/67/1066522067.db2.gz UTBDEDDMMPFXCJ-CQSZACIVSA-N 0 0 451.926 4.996 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)c1[nH]c2ccccc2c1Br)NC(=O)OC(C)(C)C ZINC001444954202 1066522126 /nfs/dbraw/zinc/52/21/26/1066522126.db2.gz VNANMBZEPJTEQH-HNNXBMFYSA-N 0 0 452.393 4.942 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1ccccc1Br ZINC001444954195 1066522146 /nfs/dbraw/zinc/52/21/46/1066522146.db2.gz KGSBREVLDJKZNL-SELNLUPBSA-N 0 0 459.384 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC001361195673 1066522533 /nfs/dbraw/zinc/52/25/33/1066522533.db2.gz DRYBJSSRFOIHQU-KRWDZBQOSA-N 0 0 478.515 4.977 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361195678 1066522569 /nfs/dbraw/zinc/52/25/69/1066522569.db2.gz DTDVKPWVPKSTMW-VQIMIIECSA-N 0 0 483.560 4.759 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC001456148814 1066522494 /nfs/dbraw/zinc/52/24/94/1066522494.db2.gz IWXAYHINIUPGMW-JOCHJYFZSA-N 0 0 458.002 4.957 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC001456149524 1066522629 /nfs/dbraw/zinc/52/26/29/1066522629.db2.gz MEURYWJQRUUGAU-HXUWFJFHSA-N 0 0 451.702 4.772 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC001456150028 1066523023 /nfs/dbraw/zinc/52/30/23/1066523023.db2.gz NSYPLCLMRRGGTG-JOCHJYFZSA-N 0 0 453.608 4.644 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1cc(C(F)(F)F)ccc1F ZINC001361195767 1066522893 /nfs/dbraw/zinc/52/28/93/1066522893.db2.gz XZWDUPDDHIXHAL-UHFFFAOYSA-N 0 0 453.173 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361195911 1066522938 /nfs/dbraw/zinc/52/29/38/1066522938.db2.gz HAVUYJXQQGPIEN-SESVDKBCSA-N 0 0 495.624 4.972 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cc1 ZINC001456151064 1066523330 /nfs/dbraw/zinc/52/33/30/1066523330.db2.gz TVZCOJDLRZQJFS-CQSZACIVSA-N 0 0 457.423 4.778 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001456152397 1066523862 /nfs/dbraw/zinc/52/38/62/1066523862.db2.gz WUPLKZIPTVDDPC-JOCHJYFZSA-N 0 0 457.498 4.527 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001456152399 1066523875 /nfs/dbraw/zinc/52/38/75/1066523875.db2.gz WUPLKZIPTVDDPC-QFIPXVFZSA-N 0 0 457.498 4.527 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC001545970960 1066523878 /nfs/dbraw/zinc/52/38/78/1066523878.db2.gz POHUUBXPHMFTFT-FCHUYYIVSA-N 0 0 474.653 4.911 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361196253 1066524127 /nfs/dbraw/zinc/52/41/27/1066524127.db2.gz MXAWSIAAGDVDNY-IFXJQAMLSA-N 0 0 473.524 4.522 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001456152727 1066524147 /nfs/dbraw/zinc/52/41/47/1066524147.db2.gz PTRWJYASQUXPNM-UHFFFAOYSA-N 0 0 451.926 4.815 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H]2CCCS2)cc1Br ZINC001361196691 1066524427 /nfs/dbraw/zinc/52/44/27/1066524427.db2.gz SQSLZOHPDCVVHB-WBVHZDCISA-N 0 0 465.461 4.915 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CCc1nccs1)NC(=O)OC(C)(C)C ZINC001545971076 1066524620 /nfs/dbraw/zinc/52/46/20/1066524620.db2.gz RCWMQWDYGZTKNY-INIZCTEOSA-N 0 0 474.606 4.523 20 0 JJADRN COC(=O)c1ccn(CC(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)n1 ZINC001456155767 1066524633 /nfs/dbraw/zinc/52/46/33/1066524633.db2.gz RBABIUJSFUYDBR-NPAAKHOSSA-N 0 0 451.611 4.620 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c1 ZINC001444974313 1066524959 /nfs/dbraw/zinc/52/49/59/1066524959.db2.gz OZNMKQZESCKFBL-MQNAVGNWSA-N 0 0 456.558 4.880 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972456 1066524981 /nfs/dbraw/zinc/52/49/81/1066524981.db2.gz FWQQJYHJGYUZHN-DHIUTWEWSA-N 0 0 456.608 4.893 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361197241 1066525460 /nfs/dbraw/zinc/52/54/60/1066525460.db2.gz YOEZRSHROLRRLR-RDTXWAMCSA-N 0 0 486.642 4.512 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1)Oc1cccc(F)c1 ZINC001545971148 1066525443 /nfs/dbraw/zinc/52/54/43/1066525443.db2.gz SIKZOJTYUCARBW-NBGIEHNGSA-N 0 0 453.562 4.732 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1)Oc1cccc(F)c1 ZINC001545971146 1066525598 /nfs/dbraw/zinc/52/55/98/1066525598.db2.gz SIKZOJTYUCARBW-CJFMBICVSA-N 0 0 453.562 4.732 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NCCc2ccc(F)cc2Cl)cc1OCC ZINC001456159656 1066525630 /nfs/dbraw/zinc/52/56/30/1066525630.db2.gz FNEBBLUGBZSCOM-UHFFFAOYSA-N 0 0 458.755 4.940 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCCN2CCCCC2=O)cc1 ZINC001456158073 1066525727 /nfs/dbraw/zinc/52/57/27/1066525727.db2.gz QWGUGCHAGMLTJN-UHFFFAOYSA-N 0 0 450.970 4.634 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1scnc1C)Oc1cccc(F)c1 ZINC001545971211 1066525964 /nfs/dbraw/zinc/52/59/64/1066525964.db2.gz TWWPOJSSGCLHBF-SFHVURJKSA-N 0 0 452.559 4.738 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)c3cc(Br)cnc3OCC3CC3)nc21 ZINC001456159922 1066526213 /nfs/dbraw/zinc/52/62/13/1066526213.db2.gz WFLPCEYDAUEZAA-UHFFFAOYSA-N 0 0 452.305 4.643 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cccnc1SCc1ccc(F)cc1 ZINC001456164030 1066526705 /nfs/dbraw/zinc/52/67/05/1066526705.db2.gz FQMHESCQSIZWHA-LJQANCHMSA-N 0 0 450.457 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3Cc4ccccc4O[C@@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361198215 1066526938 /nfs/dbraw/zinc/52/69/38/1066526938.db2.gz LQNBHBYUEXRFBK-HKUYNNGSSA-N 0 0 481.597 4.889 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001444990569 1066526904 /nfs/dbraw/zinc/52/69/04/1066526904.db2.gz XNACBYVCCSWDNW-UHFFFAOYSA-N 0 0 453.008 4.561 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)c1 ZINC001456167069 1066527145 /nfs/dbraw/zinc/52/71/45/1066527145.db2.gz XFUCWPXYNZSUKZ-NRFANRHFSA-N 0 0 454.320 4.786 20 0 JJADRN Cc1ccc(-c2nnc(N3Cc4ccccc4O[C@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361198216 1066527039 /nfs/dbraw/zinc/52/70/39/1066527039.db2.gz LQNBHBYUEXRFBK-IEBWSBKVSA-N 0 0 481.597 4.889 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2Cc2ccc(F)c(Cl)c2)o1 ZINC001361198349 1066527359 /nfs/dbraw/zinc/52/73/59/1066527359.db2.gz OYGPJVGBPPWOAO-UHFFFAOYSA-N 0 0 473.980 4.771 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[C@](C)(O)c2ccccc2)o1 ZINC001361198353 1066527385 /nfs/dbraw/zinc/52/73/85/1066527385.db2.gz PFOZNKTXARJERC-KMRXNPHXSA-N 0 0 493.652 4.521 20 0 JJADRN CCCN(C(=O)c1c(Br)nc2n1CCCC2)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001444994043 1066527454 /nfs/dbraw/zinc/52/74/54/1066527454.db2.gz FXXYMXILYWXPHE-DLBZAZTESA-N 0 0 452.437 4.962 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001456169510 1066527620 /nfs/dbraw/zinc/52/76/20/1066527620.db2.gz VSLCDINRUOPSHV-KRWDZBQOSA-N 0 0 458.358 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2CCSCC(F)(F)F)o1 ZINC001361198587 1066527647 /nfs/dbraw/zinc/52/76/47/1066527647.db2.gz XPSYJIQPUWACNO-INIZCTEOSA-N 0 0 499.603 4.617 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2NC1=O ZINC001444993909 1066528039 /nfs/dbraw/zinc/52/80/39/1066528039.db2.gz YPJYWLBGSPBKQA-JPYJTQIMSA-N 0 0 459.546 4.878 20 0 JJADRN CCCc1c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cnn1-c1cc(F)c(OC)cc1F ZINC001361199376 1066527915 /nfs/dbraw/zinc/52/79/15/1066527915.db2.gz QIPPBKLPJOUOCG-MRXNPFEDSA-N 0 0 454.521 4.844 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)o1 ZINC001361199434 1066528140 /nfs/dbraw/zinc/52/81/40/1066528140.db2.gz DWFUKBUNKWJVBS-AKHDSKFASA-N 0 0 461.582 4.724 20 0 JJADRN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC001456172638 1066528585 /nfs/dbraw/zinc/52/85/85/1066528585.db2.gz OBANQTACBZUGJI-DEOSSOPVSA-N 0 0 453.652 4.654 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)c1 ZINC001361199489 1066528548 /nfs/dbraw/zinc/52/85/48/1066528548.db2.gz RZANKGYGNNVBPE-UHFFFAOYSA-N 0 0 451.548 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)n2CCCCCO)o1 ZINC001361199610 1066528609 /nfs/dbraw/zinc/52/86/09/1066528609.db2.gz HBSVVCBXHFLPQH-JOCHJYFZSA-N 0 0 458.990 4.613 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000469 1066528974 /nfs/dbraw/zinc/52/89/74/1066528974.db2.gz MUSXTOBGCLRFIY-DHIUTWEWSA-N 0 0 456.608 4.687 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001456174550 1066528984 /nfs/dbraw/zinc/52/89/84/1066528984.db2.gz QHQXRMHWLSJEBY-UHFFFAOYSA-N 0 0 452.414 4.688 20 0 JJADRN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001456176191 1066529385 /nfs/dbraw/zinc/52/93/85/1066529385.db2.gz VHFSYOHXRVJSTB-QHCPKHFHSA-N 0 0 455.961 4.918 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)C1 ZINC001445008021 1066529658 /nfs/dbraw/zinc/52/96/58/1066529658.db2.gz JKQOASUDSGNOCO-ZWKOTPCHSA-N 0 0 456.549 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361200137 1066529882 /nfs/dbraw/zinc/52/98/82/1066529882.db2.gz OGTMCDRKLJGACX-FPOVZHCZSA-N 0 0 494.640 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361200138 1066530027 /nfs/dbraw/zinc/53/00/27/1066530027.db2.gz OGTMCDRKLJGACX-PZJWPPBQSA-N 0 0 494.640 4.700 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@@H](C)c3sc(C)nc3C)cc2)c1 ZINC001456178265 1066530138 /nfs/dbraw/zinc/53/01/38/1066530138.db2.gz NRBMPKCOLSJGPS-INIZCTEOSA-N 0 0 453.564 4.619 20 0 JJADRN Cc1c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179390 1066530524 /nfs/dbraw/zinc/53/05/24/1066530524.db2.gz NLSKVXLGBFXKCG-JKDFXYPNSA-N 0 0 451.327 4.849 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)s1 ZINC001456178810 1066530594 /nfs/dbraw/zinc/53/05/94/1066530594.db2.gz QFYPUBRIEWRRGX-KRWDZBQOSA-N 0 0 458.605 4.978 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC001445025484 1066530540 /nfs/dbraw/zinc/53/05/40/1066530540.db2.gz HKRYMBGIALUMLG-IBGZPJMESA-N 0 0 452.601 4.742 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC001456180134 1066530869 /nfs/dbraw/zinc/53/08/69/1066530869.db2.gz XCQVFGFCMZNZQB-RAXLEYEMSA-N 0 0 450.347 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361201414 1066530891 /nfs/dbraw/zinc/53/08/91/1066530891.db2.gz AUOXVMXODZDGOE-UHFFFAOYSA-N 0 0 481.597 4.803 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)cc2)no1 ZINC001361201148 1066530971 /nfs/dbraw/zinc/53/09/71/1066530971.db2.gz RHXOSTNYKPJNSG-LJQANCHMSA-N 0 0 452.942 4.514 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC001361201188 1066531025 /nfs/dbraw/zinc/53/10/25/1066531025.db2.gz TVWTVGQOPFZZHC-UHFFFAOYSA-N 0 0 458.356 4.797 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001456180352 1066530913 /nfs/dbraw/zinc/53/09/13/1066530913.db2.gz ZWKJTCGWSPSPST-BAGBSZHRSA-N 0 0 459.999 4.513 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc1 ZINC001456180876 1066531397 /nfs/dbraw/zinc/53/13/97/1066531397.db2.gz YXIKMELTIYZXMF-UHFFFAOYSA-N 0 0 456.539 4.955 20 0 JJADRN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC(C2CCCC2)CC1 ZINC001445036494 1066531463 /nfs/dbraw/zinc/53/14/63/1066531463.db2.gz KYLRWTKGZOWQBV-IBGZPJMESA-N 0 0 452.382 4.627 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)no1 ZINC001456181840 1066531870 /nfs/dbraw/zinc/53/18/70/1066531870.db2.gz ARFORADUDRVCCI-UWVGGRQHSA-N 0 0 450.775 4.881 20 0 JJADRN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001456184797 1066531912 /nfs/dbraw/zinc/53/19/12/1066531912.db2.gz VFETYDQJGWGJDD-QFYYESIMSA-N 0 0 456.736 4.742 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361201660 1066531982 /nfs/dbraw/zinc/53/19/82/1066531982.db2.gz HBTNWLAUDFWPPN-CQSZACIVSA-N 0 0 463.508 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)CC3)n2CC2(C(=O)N(C)C)CCCC2)cc1Br ZINC001361202415 1066532303 /nfs/dbraw/zinc/53/23/03/1066532303.db2.gz OUFUMKPRYJDRBE-UHFFFAOYSA-N 0 0 488.474 4.901 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)C1 ZINC001445041289 1066532473 /nfs/dbraw/zinc/53/24/73/1066532473.db2.gz SRMGYLJMVFPJGV-OAHLLOKOSA-N 0 0 450.954 4.862 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C[C@H](C)S1 ZINC001445041773 1066532554 /nfs/dbraw/zinc/53/25/54/1066532554.db2.gz BNLKZVBCHOCCRP-AOOOYVTPSA-N 0 0 454.852 4.541 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cs1 ZINC001445042199 1066532641 /nfs/dbraw/zinc/53/26/41/1066532641.db2.gz BYCFKLVCBXUSKO-UXHICEINSA-N 0 0 459.656 4.784 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)CC1 ZINC001361202954 1066532851 /nfs/dbraw/zinc/53/28/51/1066532851.db2.gz VWZBALKGZAARLT-UHFFFAOYSA-N 0 0 457.420 4.917 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCCCOC(C)C)o1 ZINC001361202692 1066532861 /nfs/dbraw/zinc/53/28/61/1066532861.db2.gz RZQOVZXUVVPPTH-UHFFFAOYSA-N 0 0 475.634 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4ccco4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361203083 1066533311 /nfs/dbraw/zinc/53/33/11/1066533311.db2.gz WUBQZYDNWJFVHE-MOPGFXCFSA-N 0 0 469.586 4.983 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC001456189027 1066533450 /nfs/dbraw/zinc/53/34/50/1066533450.db2.gz UGOXKQKIOKPLGO-UHFFFAOYSA-N 0 0 458.561 4.504 20 0 JJADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445049723 1066533555 /nfs/dbraw/zinc/53/35/55/1066533555.db2.gz CEXMRWMHWLZVJU-KSSFIOAISA-N 0 0 459.450 4.567 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCO[C@@H](c4ccccc4C)C3)cc2)c(C)c1Br ZINC001445052435 1066533666 /nfs/dbraw/zinc/53/36/66/1066533666.db2.gz FCXOJNQWRIHRAO-OAQYLSRUSA-N 0 0 454.368 4.774 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001456192652 1066533910 /nfs/dbraw/zinc/53/39/10/1066533910.db2.gz AWFLFELZNWIYKY-QFBILLFUSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCc2nccs2)o1 ZINC001361204088 1066534261 /nfs/dbraw/zinc/53/42/61/1066534261.db2.gz LQGCBMFAWUJAFL-SFHVURJKSA-N 0 0 486.642 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCOCC(C)C)o1 ZINC001361203959 1066534278 /nfs/dbraw/zinc/53/42/78/1066534278.db2.gz HJPMZECGWATUQR-FQEVSTJZSA-N 0 0 475.634 4.602 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)Cc1ccc2cccnc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456194662 1066534292 /nfs/dbraw/zinc/53/42/92/1066534292.db2.gz NQVYLSYDIAOQAC-RBTNQOKQSA-N 0 0 457.618 4.790 20 0 JJADRN CCOc1c(F)cccc1C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H](C)CC ZINC001456194963 1066534340 /nfs/dbraw/zinc/53/43/40/1066534340.db2.gz OIYHCAAMNQFIJM-CYFREDJKSA-N 0 0 454.586 4.850 20 0 JJADRN O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N1CCCc2cc(Br)cc(Cl)c21 ZINC001456194320 1066534357 /nfs/dbraw/zinc/53/43/57/1066534357.db2.gz SOPUJMBVJINACS-MRXNPFEDSA-N 0 0 455.686 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCC[C@@H]2C)cc1Br ZINC001361203971 1066534316 /nfs/dbraw/zinc/53/43/16/1066534316.db2.gz HQQJMUIWJJDHOV-OXJNMPFZSA-N 0 0 488.474 4.934 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001445054754 1066534730 /nfs/dbraw/zinc/53/47/30/1066534730.db2.gz OLXHVXRNAMODNP-LJQANCHMSA-N 0 0 450.604 4.601 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC001456197332 1066534796 /nfs/dbraw/zinc/53/47/96/1066534796.db2.gz QOOSUSAWONDBQR-UHFFFAOYSA-N 0 0 458.183 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2cscc2C(F)(F)F)o1 ZINC001361204371 1066535019 /nfs/dbraw/zinc/53/50/19/1066535019.db2.gz UXBFOVWABGUSHJ-UHFFFAOYSA-N 0 0 481.544 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H]2CCO[C@H]2C(C)C)o1 ZINC001361204438 1066535122 /nfs/dbraw/zinc/53/51/22/1066535122.db2.gz WSVWFTDYGULFQH-SJBKTWHCSA-N 0 0 487.645 4.601 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)NCCc2ccc(Br)cc2F)c1C(F)F ZINC001456197997 1066535110 /nfs/dbraw/zinc/53/51/10/1066535110.db2.gz VFICKBZMROIFPV-UHFFFAOYSA-N 0 0 458.200 4.734 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456198656 1066535323 /nfs/dbraw/zinc/53/53/23/1066535323.db2.gz XCQYDHXGVLCQRG-KBMIEXCESA-N 0 0 450.623 4.938 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001445058434 1066535265 /nfs/dbraw/zinc/53/52/65/1066535265.db2.gz VLFOCJMVDGXWQB-MRXNPFEDSA-N 0 0 456.464 4.988 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC001445058433 1066535368 /nfs/dbraw/zinc/53/53/68/1066535368.db2.gz VLFOCJMVDGXWQB-INIZCTEOSA-N 0 0 456.464 4.988 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC(C)(C)C(F)(F)F)cc1Br ZINC001361205061 1066535991 /nfs/dbraw/zinc/53/59/91/1066535991.db2.gz BHDNLYKRFWZNJU-UHFFFAOYSA-N 0 0 475.353 4.813 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001361204891 1066536009 /nfs/dbraw/zinc/53/60/09/1066536009.db2.gz NNEOPJBSABWRKN-LJQANCHMSA-N 0 0 456.446 4.898 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2sc3ccccc3c2Br)c(OC)c1 ZINC001456200664 1066536154 /nfs/dbraw/zinc/53/61/54/1066536154.db2.gz GPKPBJSXXYBLTK-UHFFFAOYSA-N 0 0 450.354 4.662 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200373 1066536211 /nfs/dbraw/zinc/53/62/11/1066536211.db2.gz WHWRVLHSBWTMQB-MAODMQOUSA-N 0 0 459.512 4.543 20 0 JJADRN Cc1cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)nn1-c1ccccc1Br ZINC001445077516 1066536276 /nfs/dbraw/zinc/53/62/76/1066536276.db2.gz KLLDNAFZWKDKTE-UHFFFAOYSA-N 0 0 450.377 4.574 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001445076168 1066536332 /nfs/dbraw/zinc/53/63/32/1066536332.db2.gz BXNMMKNVHQSGCX-UHFFFAOYSA-N 0 0 453.555 4.785 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCCN1Cc1ccncc1 ZINC001456200588 1066536429 /nfs/dbraw/zinc/53/64/29/1066536429.db2.gz YTSJUPREPLWYQC-SFHVURJKSA-N 0 0 457.199 4.822 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001445081129 1066536665 /nfs/dbraw/zinc/53/66/65/1066536665.db2.gz KUMGFEAJCUSYFK-UHFFFAOYSA-N 0 0 450.623 4.873 20 0 JJADRN Cc1ccc(NCCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)nc1 ZINC001445083735 1066537460 /nfs/dbraw/zinc/53/74/60/1066537460.db2.gz BOHLDVABJKSMOL-RTWAWAEBSA-N 0 0 473.017 4.612 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C[C@H]1CCCO1 ZINC001445082312 1066537508 /nfs/dbraw/zinc/53/75/08/1066537508.db2.gz ORYKGZWYJDSTGY-LJQANCHMSA-N 0 0 456.587 4.965 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br ZINC001445083276 1066537543 /nfs/dbraw/zinc/53/75/43/1066537543.db2.gz HJQNAWFIFABYED-JKSUJKDBSA-N 0 0 453.377 4.679 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 ZINC001456207220 1066537642 /nfs/dbraw/zinc/53/76/42/1066537642.db2.gz FCJIBDOUYUMJPW-LEWJYISDSA-N 0 0 458.352 4.932 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)cc2)o1 ZINC001361205820 1066537860 /nfs/dbraw/zinc/53/78/60/1066537860.db2.gz UMRMFKANBVIOAH-GOSISDBHSA-N 0 0 471.989 4.899 20 0 JJADRN COCCc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)cc2)cc1 ZINC001456209262 1066538120 /nfs/dbraw/zinc/53/81/20/1066538120.db2.gz DQQJIIGTLSKYLX-QFIPXVFZSA-N 0 0 459.546 4.554 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cnn1-c1ccccc1 ZINC001445085351 1066538248 /nfs/dbraw/zinc/53/82/48/1066538248.db2.gz BXLHZAVONRYGMI-SFHVURJKSA-N 0 0 450.558 4.587 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)o1 ZINC001361205985 1066538402 /nfs/dbraw/zinc/53/84/02/1066538402.db2.gz ZTSHXWFSBRHVGU-ZRKSWWEUSA-N 0 0 463.582 4.911 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc(Br)c1O ZINC001456212583 1066538585 /nfs/dbraw/zinc/53/85/85/1066538585.db2.gz RWSOCJUKMUEBMG-PGLGOXFNSA-N 0 0 452.732 4.642 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc(Br)c1O ZINC001456212582 1066538616 /nfs/dbraw/zinc/53/86/16/1066538616.db2.gz RWSOCJUKMUEBMG-DLRQAJBASA-N 0 0 452.732 4.642 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC001445096807 1066539124 /nfs/dbraw/zinc/53/91/24/1066539124.db2.gz SNJAHOJLFIHYTF-IBGZPJMESA-N 0 0 454.586 4.962 20 0 JJADRN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001456217345 1066539579 /nfs/dbraw/zinc/53/95/79/1066539579.db2.gz VVSCJVUYSKUNFS-SFHVURJKSA-N 0 0 451.405 4.729 20 0 JJADRN COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1Br ZINC001456219587 1066539847 /nfs/dbraw/zinc/53/98/47/1066539847.db2.gz MKJLKRCPAIPDAT-UHFFFAOYSA-N 0 0 457.324 4.639 20 0 JJADRN COc1cccc(C2(CNC(=O)c3ccc(I)cc3F)CCCC2)c1 ZINC001456222303 1066540365 /nfs/dbraw/zinc/54/03/65/1066540365.db2.gz HATPBBQARMCSQB-UHFFFAOYSA-N 0 0 453.295 4.681 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c(OC(F)F)c1 ZINC001456225453 1066540468 /nfs/dbraw/zinc/54/04/68/1066540468.db2.gz NCVNDLWZULCNQH-UHFFFAOYSA-N 0 0 453.507 4.796 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(F)(F)CC1 ZINC001361207616 1066540541 /nfs/dbraw/zinc/54/05/41/1066540541.db2.gz WNXQKYBZJWAPFQ-UHFFFAOYSA-N 0 0 466.330 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC2=CCCOC2)cc1Br ZINC001361207566 1066540595 /nfs/dbraw/zinc/54/05/95/1066540595.db2.gz VPVNIQXRCMBHDB-UHFFFAOYSA-N 0 0 453.331 4.598 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1c(C(F)F)nc2n1CCCC2 ZINC001456226222 1066540718 /nfs/dbraw/zinc/54/07/18/1066540718.db2.gz PJNVEBDMLKCHHY-UHFFFAOYSA-N 0 0 451.539 4.657 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cc(CCc3ccccc3)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001361208302 1066540965 /nfs/dbraw/zinc/54/09/65/1066540965.db2.gz PPODDTXIOAJYGU-YADARESESA-N 0 0 451.929 4.817 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)n2CCCOC(F)(F)F)o1 ZINC001361208575 1066541197 /nfs/dbraw/zinc/54/11/97/1066541197.db2.gz BIVCYSHVVMRNOT-OAQYLSRUSA-N 0 0 484.906 4.610 20 0 JJADRN CCS[C@H]1CCCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001361208380 1066541272 /nfs/dbraw/zinc/54/12/72/1066541272.db2.gz RJPIQYMQYYTUAL-ZIBCJSCZSA-N 0 0 450.645 4.666 20 0 JJADRN CCS[C@@H]1CCCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001361208379 1066541403 /nfs/dbraw/zinc/54/14/03/1066541403.db2.gz RJPIQYMQYYTUAL-OYNPSCLESA-N 0 0 450.645 4.666 20 0 JJADRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001456238027 1066541646 /nfs/dbraw/zinc/54/16/46/1066541646.db2.gz LNJJVDDAUHANFK-LJQANCHMSA-N 0 0 451.517 4.609 20 0 JJADRN Cc1ccc([C@H]2CSCCN2C(=O)c2cnn(Cc3ccccc3)c2Br)cc1 ZINC001456236339 1066541841 /nfs/dbraw/zinc/54/18/41/1066541841.db2.gz DZRDBESUUXUOGK-HXUWFJFHSA-N 0 0 456.409 4.933 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001456237116 1066541891 /nfs/dbraw/zinc/54/18/91/1066541891.db2.gz YNXDCGIXIYAGSV-UHFFFAOYSA-N 0 0 450.686 4.793 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001456236380 1066541944 /nfs/dbraw/zinc/54/19/44/1066541944.db2.gz FCKYTECKOUMWTP-IFMALSPDSA-N 0 0 452.352 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC001361208963 1066541883 /nfs/dbraw/zinc/54/18/83/1066541883.db2.gz IIUGCNZBGIAYOQ-WMZOPIPTSA-N 0 0 470.536 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC[C@H]4CCCCO4)CC3)n2CCSC(F)(F)F)o1 ZINC001361209036 1066541894 /nfs/dbraw/zinc/54/18/94/1066541894.db2.gz KAZFMUSLEHHRSY-QGZVFWFLSA-N 0 0 474.549 4.654 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@H](C)C2)cc1C ZINC001445167722 1066542271 /nfs/dbraw/zinc/54/22/71/1066542271.db2.gz VXCICQZQTFELJJ-GOSISDBHSA-N 0 0 453.384 4.603 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001456238346 1066542307 /nfs/dbraw/zinc/54/23/07/1066542307.db2.gz CYWYIYJAVXDFTA-JWQCQUIFSA-N 0 0 456.558 4.571 20 0 JJADRN COc1cccc(CNC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1OC1CCCC1 ZINC001456238806 1066542340 /nfs/dbraw/zinc/54/23/40/1066542340.db2.gz GDFHSZPKHDLSAE-UHFFFAOYSA-N 0 0 458.921 4.628 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)Cc3cc4c(cc3Br)OCCO4)cc2)nc1 ZINC001456239469 1066542370 /nfs/dbraw/zinc/54/23/70/1066542370.db2.gz HVSLJQDUFNWGFF-UHFFFAOYSA-N 0 0 455.308 4.897 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Oc4cncc(Cl)n4)CC3)n2CCSCC(C)C)o1 ZINC001361209277 1066542342 /nfs/dbraw/zinc/54/23/42/1066542342.db2.gz SACPYEMFLIXIPZ-UHFFFAOYSA-N 0 0 477.034 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361209479 1066542698 /nfs/dbraw/zinc/54/26/98/1066542698.db2.gz YROIGHHEVBBPKV-HXUWFJFHSA-N 0 0 487.645 4.887 20 0 JJADRN O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001445171765 1066542807 /nfs/dbraw/zinc/54/28/07/1066542807.db2.gz HNOBQGGTBRZGFX-UHFFFAOYSA-N 0 0 456.373 4.693 20 0 JJADRN CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001361209568 1066543238 /nfs/dbraw/zinc/54/32/38/1066543238.db2.gz CDLHULITHSKGQI-UHFFFAOYSA-N 0 0 454.954 4.688 20 0 JJADRN O=C(C[C@@H]1COc2ccccc2O1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241405 1066543382 /nfs/dbraw/zinc/54/33/82/1066543382.db2.gz BOBULWOLDMBCPT-OAHLLOKOSA-N 0 0 458.301 4.809 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC ZINC001456241357 1066543393 /nfs/dbraw/zinc/54/33/93/1066543393.db2.gz GCQGIQZZULPOCF-AWEZNQCLSA-N 0 0 452.486 4.920 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2)s1 ZINC001445174888 1066543224 /nfs/dbraw/zinc/54/32/24/1066543224.db2.gz OCKNZLZGPZTXRY-KRWDZBQOSA-N 0 0 458.461 4.782 20 0 JJADRN CC(C)n1cc([C@H](C)NC(=O)C[C@H](C)CCc2ccc(I)cc2)cn1 ZINC001456241730 1066543597 /nfs/dbraw/zinc/54/35/97/1066543597.db2.gz MARCJHZLXXGICY-CVEARBPZSA-N 0 0 453.368 4.905 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1F ZINC001456242698 1066543611 /nfs/dbraw/zinc/54/36/11/1066543611.db2.gz NZJHQTQEWTXZOR-UHFFFAOYSA-N 0 0 454.296 4.821 20 0 JJADRN COc1cccc(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)c1OC1CCCC1 ZINC001456242042 1066543712 /nfs/dbraw/zinc/54/37/12/1066543712.db2.gz NCXQVPFHYKKIQH-UHFFFAOYSA-N 0 0 455.555 4.618 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cn1 ZINC001445178736 1066543646 /nfs/dbraw/zinc/54/36/46/1066543646.db2.gz YTRSBSAJBCAXCD-UHFFFAOYSA-N 0 0 450.366 4.834 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC001445180647 1066543811 /nfs/dbraw/zinc/54/38/11/1066543811.db2.gz NZIZGGJPXLIFEU-UHFFFAOYSA-N 0 0 451.405 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2CCSC(C)C)cc1Br ZINC001361210611 1066544067 /nfs/dbraw/zinc/54/40/67/1066544067.db2.gz PLNOIZSRLNHAMZ-OAQYLSRUSA-N 0 0 465.461 4.774 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)o1 ZINC001361210616 1066544113 /nfs/dbraw/zinc/54/41/13/1066544113.db2.gz PSZRPUVELPFEMD-AZUAARDMSA-N 0 0 481.597 4.730 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)o1 ZINC001361210618 1066544160 /nfs/dbraw/zinc/54/41/60/1066544160.db2.gz PSZRPUVELPFEMD-QUCCMNQESA-N 0 0 481.597 4.730 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001456244170 1066544317 /nfs/dbraw/zinc/54/43/17/1066544317.db2.gz RFQLQAGLURQTBE-LJQANCHMSA-N 0 0 456.543 4.548 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@@H](C)O1 ZINC001456245614 1066544616 /nfs/dbraw/zinc/54/46/16/1066544616.db2.gz ACRNYKVHCCEXQL-WOJBJXKFSA-N 0 0 454.636 4.960 20 0 JJADRN CC(C)Oc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001456245297 1066544658 /nfs/dbraw/zinc/54/46/58/1066544658.db2.gz NVFACAASYVYXQO-UHFFFAOYSA-N 0 0 457.379 4.817 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4c(F)cc(F)cc4C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361211284 1066545143 /nfs/dbraw/zinc/54/51/43/1066545143.db2.gz ZQXVLIJKDTZQBT-UHFFFAOYSA-N 0 0 469.458 4.572 20 0 JJADRN COCCOc1ncccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001456247310 1066545229 /nfs/dbraw/zinc/54/52/29/1066545229.db2.gz UKPDLPUCGDXKCP-UHFFFAOYSA-N 0 0 451.376 4.704 20 0 JJADRN CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1 ZINC001456246393 1066545246 /nfs/dbraw/zinc/54/52/46/1066545246.db2.gz DXPVMCFRAJJQNV-UHFFFAOYSA-N 0 0 451.032 4.903 20 0 JJADRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC001456247244 1066545266 /nfs/dbraw/zinc/54/52/66/1066545266.db2.gz CTFAESJSVWNRCC-SFHVURJKSA-N 0 0 450.533 4.834 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545972585 1066545177 /nfs/dbraw/zinc/54/51/77/1066545177.db2.gz IVFVCRFMGDOJKH-CEMLEFRQSA-N 0 0 478.641 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361211766 1066545461 /nfs/dbraw/zinc/54/54/61/1066545461.db2.gz ACEMNCHMJUBOKY-BBRMVZONSA-N 0 0 455.347 4.677 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H]1OCCc2ccccc21)Nc1ccc(F)cc1 ZINC001456249016 1066545707 /nfs/dbraw/zinc/54/57/07/1066545707.db2.gz KHTXIAHBJMUWRX-JOCHJYFZSA-N 0 0 450.535 4.600 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)NCc2cccc(OC)c2OC2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001456247355 1066545747 /nfs/dbraw/zinc/54/57/47/1066545747.db2.gz USUXESCGCMAQQR-RDGATRHJSA-N 0 0 450.579 4.551 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1)C(C)C ZINC001456248229 1066545795 /nfs/dbraw/zinc/54/57/95/1066545795.db2.gz HHEUNGSKLRXAAH-UHFFFAOYSA-N 0 0 452.505 4.648 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCc2cccc(OC)c2OC2CCCC2)[C@H]1c1cccc(C)c1 ZINC001456247366 1066545804 /nfs/dbraw/zinc/54/58/04/1066545804.db2.gz USUXESCGCMAQQR-WIOPSUGQSA-N 0 0 450.579 4.551 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c1C ZINC001445216326 1066546125 /nfs/dbraw/zinc/54/61/25/1066546125.db2.gz MBIANWDRXVIAQE-UHFFFAOYSA-N 0 0 454.914 4.646 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC001456251441 1066546608 /nfs/dbraw/zinc/54/66/08/1066546608.db2.gz WGPNYBITPPEVOU-SFTDATJTSA-N 0 0 458.990 4.639 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC001445220028 1066546637 /nfs/dbraw/zinc/54/66/37/1066546637.db2.gz WWLCOJVJHGSHAQ-OAHLLOKOSA-N 0 0 453.974 4.829 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361212288 1066546812 /nfs/dbraw/zinc/54/68/12/1066546812.db2.gz KYHWFTNMRCMTKB-QGZVFWFLSA-N 0 0 495.550 4.621 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CCSCCCO)cc1Br ZINC001361212311 1066546859 /nfs/dbraw/zinc/54/68/59/1066546859.db2.gz LKXYXCNXDZHLKL-INIZCTEOSA-N 0 0 467.477 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2CCCOC[C@H]2CCCO2)cc1Br ZINC001361212487 1066546972 /nfs/dbraw/zinc/54/69/72/1066546972.db2.gz MVEUQFVYBGUZCF-FXAWDEMLSA-N 0 0 477.447 4.838 20 0 JJADRN COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1cccc(C(F)(F)F)c1 ZINC001456251569 1066546938 /nfs/dbraw/zinc/54/69/38/1066546938.db2.gz WURWIOJTIHZHTG-WIYYLYMNSA-N 0 0 456.464 4.715 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1OC ZINC001456251588 1066546966 /nfs/dbraw/zinc/54/69/66/1066546966.db2.gz ZETJDFXHUBLVMV-AWEZNQCLSA-N 0 0 452.511 4.643 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(OCC(C)C)nc3)cc2)cc1 ZINC001456251968 1066547047 /nfs/dbraw/zinc/54/70/47/1066547047.db2.gz SDQNNOSIQIXXJD-UHFFFAOYSA-N 0 0 453.564 4.502 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1OC ZINC001456251595 1066547112 /nfs/dbraw/zinc/54/71/12/1066547112.db2.gz ZETJDFXHUBLVMV-CQSZACIVSA-N 0 0 452.511 4.643 20 0 JJADRN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001456253688 1066547429 /nfs/dbraw/zinc/54/74/29/1066547429.db2.gz WJSFLHVBGBWERA-ZIAGYGMSSA-N 0 0 450.322 4.559 20 0 JJADRN Cn1nc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(Br)c1C(F)(F)F ZINC001456254106 1066547479 /nfs/dbraw/zinc/54/74/79/1066547479.db2.gz SSXWXWITUHUBIR-LBPRGKRZSA-N 0 0 458.303 4.977 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccccc1NCCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001445229361 1066547524 /nfs/dbraw/zinc/54/75/24/1066547524.db2.gz CYTWFIYPUXNABY-JOCHJYFZSA-N 0 0 456.373 4.995 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)N(CCc1ccc(Cl)cc1)CC1CC1)N1C(=O)c2ccccc2C1=O ZINC001456256305 1066548035 /nfs/dbraw/zinc/54/80/35/1066548035.db2.gz ZQLXJDINXQAFNR-HXOBKFHXSA-N 0 0 452.982 4.832 20 0 JJADRN CC[C@H](C)[C@H](C(=O)N(CCc1ccc(Cl)cc1)CC1CC1)N1C(=O)c2ccccc2C1=O ZINC001456256304 1066548046 /nfs/dbraw/zinc/54/80/46/1066548046.db2.gz ZQLXJDINXQAFNR-GAJHUEQPSA-N 0 0 452.982 4.832 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(CSC3CCOCC3)c2)CCSCC1 ZINC001456256261 1066548054 /nfs/dbraw/zinc/54/80/54/1066548054.db2.gz QAFAUBUQWWGBCY-UHFFFAOYSA-N 0 0 451.654 4.892 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)c1 ZINC001456258378 1066548337 /nfs/dbraw/zinc/54/83/37/1066548337.db2.gz FSMIBCVEUFXDPY-BKUYFWCQSA-N 0 0 454.482 4.915 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)cc1 ZINC001445235708 1066548392 /nfs/dbraw/zinc/54/83/92/1066548392.db2.gz IZLMKNBVOKMQOJ-LJQANCHMSA-N 0 0 455.967 4.563 20 0 JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001445236258 1066548555 /nfs/dbraw/zinc/54/85/55/1066548555.db2.gz FFVQYDKTEJRLCB-HXUWFJFHSA-N 0 0 455.436 4.860 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001445242599 1066548875 /nfs/dbraw/zinc/54/88/75/1066548875.db2.gz OJRQHSOMMYOFEN-GOSISDBHSA-N 0 0 453.388 4.858 20 0 JJADRN COc1ccc(CCC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(Br)c1 ZINC001445242564 1066549132 /nfs/dbraw/zinc/54/91/32/1066549132.db2.gz NMXJPOPCDFRXOI-OAQYLSRUSA-N 0 0 458.352 4.746 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCc2ccc(Cl)s2)o1 ZINC001361213876 1066549171 /nfs/dbraw/zinc/54/91/71/1066549171.db2.gz CQLAOCLGWMMGSN-QGZVFWFLSA-N 0 0 476.046 4.793 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC001456263331 1066549347 /nfs/dbraw/zinc/54/93/47/1066549347.db2.gz CZGQIQBVVIBKSC-UHFFFAOYSA-N 0 0 459.546 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)c2ccccc2)o1 ZINC001361214069 1066549737 /nfs/dbraw/zinc/54/97/37/1066549737.db2.gz HXTAOTUJNZNGLJ-PZJWPPBQSA-N 0 0 494.640 4.865 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ncoc2CCC(F)(F)F)c2ccccc21 ZINC001456265873 1066549806 /nfs/dbraw/zinc/54/98/06/1066549806.db2.gz HRFHLEDVIKVAKQ-CQSZACIVSA-N 0 0 453.461 4.828 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)COCc2ccccc2)o1 ZINC001361214389 1066550006 /nfs/dbraw/zinc/55/00/06/1066550006.db2.gz OHGPGANYGVGVJX-NZQKXSOJSA-N 0 0 493.652 4.831 20 0 JJADRN O=C(Cc1cccc2cnccc21)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001456266687 1066550126 /nfs/dbraw/zinc/55/01/26/1066550126.db2.gz DTJYHOJHXKPAHQ-UHFFFAOYSA-N 0 0 452.482 4.668 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1)c1ccc(Br)o1 ZINC001445267396 1066550287 /nfs/dbraw/zinc/55/02/87/1066550287.db2.gz CLTOPBGMQOQPJU-SJORKVTESA-N 0 0 459.340 4.658 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3ccc(CN4CCOCC4)c(C(F)(F)F)c3)n[nH]2)cc1C ZINC001456268174 1066550352 /nfs/dbraw/zinc/55/03/52/1066550352.db2.gz IPAHXQURGIXRSR-UHFFFAOYSA-N 0 0 458.484 4.797 20 0 JJADRN CC[C@]1(C(=O)NCCCc2ccc(Br)cc2F)CCN(C(=O)OC(C)(C)C)C1 ZINC001456268845 1066550636 /nfs/dbraw/zinc/55/06/36/1066550636.db2.gz UMEOVVGQJKBOSZ-NRFANRHFSA-N 0 0 457.384 4.674 20 0 JJADRN Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1NC(=O)C(C)(C)C ZINC001456269867 1066550772 /nfs/dbraw/zinc/55/07/72/1066550772.db2.gz KKJOYPNRYPNQPX-UHFFFAOYSA-N 0 0 453.608 4.946 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCOC2CCCCCC2)o1 ZINC001361214421 1066550767 /nfs/dbraw/zinc/55/07/67/1066550767.db2.gz PEVLRIYBFMWPNA-OAQYLSRUSA-N 0 0 485.673 4.965 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2nccs2)o1 ZINC001361214605 1066551097 /nfs/dbraw/zinc/55/10/97/1066551097.db2.gz SSXMBKDSTOMNAA-AEFFLSMTSA-N 0 0 486.642 4.942 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001456270696 1066551154 /nfs/dbraw/zinc/55/11/54/1066551154.db2.gz UOEQCHREWKBPDE-UHFFFAOYSA-N 0 0 459.955 4.755 20 0 JJADRN CO[C@@H](C)c1nc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cs1 ZINC001445273412 1066551432 /nfs/dbraw/zinc/55/14/32/1066551432.db2.gz OZFUVHINJRBGRN-NSHDSACASA-N 0 0 452.399 4.595 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(Br)o1 ZINC001456270175 1066551367 /nfs/dbraw/zinc/55/13/67/1066551367.db2.gz RXUZSTQCLPIZMA-UHFFFAOYSA-N 0 0 456.264 4.547 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)nc1 ZINC001456271324 1066551389 /nfs/dbraw/zinc/55/13/89/1066551389.db2.gz WCFVMSXNWSJWSX-UHFFFAOYSA-N 0 0 455.308 4.743 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O)NC(=O)OC(C)(C)C ZINC001445274229 1066551446 /nfs/dbraw/zinc/55/14/46/1066551446.db2.gz NCSBTKZIZDJZHB-PCCBWWKXSA-N 0 0 458.599 4.792 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cnc(-c3cccnc3)s2)c2ccccc21 ZINC001456271891 1066551761 /nfs/dbraw/zinc/55/17/61/1066551761.db2.gz ZCEDQLXHMKDJLD-QGZVFWFLSA-N 0 0 450.564 4.864 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)nn1-c1ccccc1Br ZINC001445274851 1066551786 /nfs/dbraw/zinc/55/17/86/1066551786.db2.gz OKDKEJZWQKGUFK-OAHLLOKOSA-N 0 0 458.381 4.882 20 0 JJADRN CO[C@H](C)c1nc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cs1 ZINC001445275512 1066552008 /nfs/dbraw/zinc/55/20/08/1066552008.db2.gz RZJXJRKWPIQEMS-LLVKDONJSA-N 0 0 455.367 4.846 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCCc2cc(Br)cc(C)c21)c1ccc(F)cc1F ZINC001361216035 1066552073 /nfs/dbraw/zinc/55/20/73/1066552073.db2.gz WHVCSCTVCJQYQL-LJQANCHMSA-N 0 0 451.311 4.582 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C(C)(C)O)c2)o1 ZINC001361214884 1066552161 /nfs/dbraw/zinc/55/21/61/1066552161.db2.gz ZGIGWQZLIGSGEU-NRFANRHFSA-N 0 0 495.624 4.616 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2sccc2C)CCO1 ZINC001546081170 1066552201 /nfs/dbraw/zinc/55/22/01/1066552201.db2.gz JWZSOXDCPURXDW-RUZDIDTESA-N 0 0 467.639 4.765 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973243 1066552456 /nfs/dbraw/zinc/55/24/56/1066552456.db2.gz VFOCPVUXWVSOLW-FCHUYYIVSA-N 0 0 462.598 4.985 20 0 JJADRN CCc1cc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)c(C)nn1 ZINC001456275503 1066552744 /nfs/dbraw/zinc/55/27/44/1066552744.db2.gz AJALJAYNRUGWQW-UHFFFAOYSA-N 0 0 457.431 4.750 20 0 JJADRN CC1(C)C[C@H](CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)O1 ZINC001456274666 1066552849 /nfs/dbraw/zinc/55/28/49/1066552849.db2.gz PMVWWBQMZQUHCK-GOSISDBHSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3)C2)cc1 ZINC001445281805 1066552815 /nfs/dbraw/zinc/55/28/15/1066552815.db2.gz BSVISXZNHZNWBL-IRLDBZIGSA-N 0 0 455.396 4.973 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)Oc1ccccc1C(F)(F)F ZINC001445282873 1066552945 /nfs/dbraw/zinc/55/29/45/1066552945.db2.gz DBKZMXVVHHLNPK-UWWQBHOKSA-N 0 0 458.521 4.918 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(F)cc2F)c1 ZINC001456276450 1066553399 /nfs/dbraw/zinc/55/33/99/1066553399.db2.gz IDYQKHWDJGSIOL-UHFFFAOYSA-N 0 0 456.514 4.677 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCc4sccc4C3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361217674 1066553459 /nfs/dbraw/zinc/55/34/59/1066553459.db2.gz GCCSSZCLMDWSGU-UHFFFAOYSA-N 0 0 458.481 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[C@H]2CCCCO2)cc1Br ZINC001361217766 1066553501 /nfs/dbraw/zinc/55/35/01/1066553501.db2.gz MFAGMCPZYNBDJH-UYAOXDASSA-N 0 0 477.447 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCOC(C)(C)C)cc1Br ZINC001361218067 1066553841 /nfs/dbraw/zinc/55/38/41/1066553841.db2.gz KGJGCSBIJJCZPO-FQEVSTJZSA-N 0 0 487.446 4.906 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CC[C@@H](C(F)(F)F)C3)ccc2C)c(C)c1 ZINC001456277209 1066553882 /nfs/dbraw/zinc/55/38/82/1066553882.db2.gz JEUPAQXCPBGNRP-GOSISDBHSA-N 0 0 454.514 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCOCC3)n2CC(C)(C)C(F)(F)F)cc1Br ZINC001361217820 1066554040 /nfs/dbraw/zinc/55/40/40/1066554040.db2.gz MRDUKGREQLNADG-UHFFFAOYSA-N 0 0 461.326 4.831 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cnn1-c1ccccn1 ZINC001456281040 1066554319 /nfs/dbraw/zinc/55/43/19/1066554319.db2.gz RZAYSLFEDJIIDH-FQEVSTJZSA-N 0 0 455.603 4.594 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCO[C@H]2CCCC[C@@H]2C)o1 ZINC001361218195 1066554315 /nfs/dbraw/zinc/55/43/15/1066554315.db2.gz PEXRFEMXGZZLSO-UNMCSNQZSA-N 0 0 487.645 4.747 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N(CC)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001545973318 1066554495 /nfs/dbraw/zinc/55/44/95/1066554495.db2.gz WZPQTWLJMKZFNP-HXUWFJFHSA-N 0 0 452.603 4.613 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)o1 ZINC001361218194 1066554685 /nfs/dbraw/zinc/55/46/85/1066554685.db2.gz PEXRFEMXGZZLSO-RBBKRZOGSA-N 0 0 487.645 4.747 20 0 JJADRN CC(C)c1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cnn1-c1ccccn1 ZINC001456281047 1066554800 /nfs/dbraw/zinc/55/48/00/1066554800.db2.gz RZAYSLFEDJIIDH-HXUWFJFHSA-N 0 0 455.603 4.594 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545973347 1066555008 /nfs/dbraw/zinc/55/50/08/1066555008.db2.gz XMXZHBMXINOSBU-PZJWPPBQSA-N 0 0 496.656 4.663 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973389 1066555014 /nfs/dbraw/zinc/55/50/14/1066555014.db2.gz YHQFEWUJDIRTQB-FYYLOGMGSA-N 0 0 476.625 4.712 20 0 JJADRN CC[C@@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)Oc1ccccc1C(F)(F)F ZINC001445292547 1066555064 /nfs/dbraw/zinc/55/50/64/1066555064.db2.gz VAEFBEHIPIYECY-HNNXBMFYSA-N 0 0 450.486 4.703 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545973449 1066555421 /nfs/dbraw/zinc/55/54/21/1066555421.db2.gz ZCLRUXHIDPTZRI-RBBKRZOGSA-N 0 0 480.588 4.776 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456285692 1066555807 /nfs/dbraw/zinc/55/58/07/1066555807.db2.gz UNZUXSKPKRZRPN-UHFFFAOYSA-N 0 0 456.608 4.765 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CCOCC1 ZINC001456289422 1066556162 /nfs/dbraw/zinc/55/61/62/1066556162.db2.gz VGOUMHRNVWUCBC-QXPKXGMISA-N 0 0 457.596 4.962 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001456290564 1066556294 /nfs/dbraw/zinc/55/62/94/1066556294.db2.gz HIBJLOYIKHFXGA-IBGZPJMESA-N 0 0 454.633 4.524 20 0 JJADRN O=C(NCCc1cccc(F)c1F)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456288560 1066556308 /nfs/dbraw/zinc/55/63/08/1066556308.db2.gz REICTEMCXZKWED-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CC4CCCCC4)CC3)n2CCSC(C)C)o1 ZINC001361219573 1066556237 /nfs/dbraw/zinc/55/62/37/1066556237.db2.gz FPPMQJVIYNMXHJ-UHFFFAOYSA-N 0 0 459.660 4.607 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(-c3cccs3)s2)c1 ZINC001456294599 1066556898 /nfs/dbraw/zinc/55/68/98/1066556898.db2.gz TWDFEHXDPUVFKQ-KRWDZBQOSA-N 0 0 454.573 4.897 20 0 JJADRN COc1cc(C(=O)NCCCc2cccc(Br)c2)cc(Br)c1OC ZINC001456293813 1066556912 /nfs/dbraw/zinc/55/69/12/1066556912.db2.gz BRUQUGAUAXGPPA-UHFFFAOYSA-N 0 0 457.162 4.591 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2CCC(C)(F)F)o1 ZINC001361219750 1066556771 /nfs/dbraw/zinc/55/67/71/1066556771.db2.gz NVIHLQXWFNGNQR-UHFFFAOYSA-N 0 0 463.916 4.508 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC(C)(C)c2ccccc2F)o1 ZINC001361219827 1066556835 /nfs/dbraw/zinc/55/68/35/1066556835.db2.gz RORHITLUDCGXAT-UHFFFAOYSA-N 0 0 482.604 4.594 20 0 JJADRN O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001361220062 1066556850 /nfs/dbraw/zinc/55/68/50/1066556850.db2.gz CKKHHDUTLDFEFI-GFCCVEGCSA-N 0 0 458.383 4.519 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973783 1066557217 /nfs/dbraw/zinc/55/72/17/1066557217.db2.gz HPNJPHAMXWPHGJ-SOVGHPHASA-N 0 0 454.311 4.609 20 0 JJADRN COc1ccc(CCC(=O)NCCCc2cccc(Br)c2)cc1Br ZINC001456296360 1066557281 /nfs/dbraw/zinc/55/72/81/1066557281.db2.gz INYURWPSKOJVEJ-UHFFFAOYSA-N 0 0 455.190 4.902 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445331934 1066557821 /nfs/dbraw/zinc/55/78/21/1066557821.db2.gz NMCPDKBJISFVSF-UHFFFAOYSA-N 0 0 456.543 4.958 20 0 JJADRN Cc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c1OCc1ccccc1 ZINC001456299835 1066557983 /nfs/dbraw/zinc/55/79/83/1066557983.db2.gz QQLASIHBBVEODK-UHFFFAOYSA-N 0 0 454.530 4.599 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)ccn1 ZINC001445335289 1066558255 /nfs/dbraw/zinc/55/82/55/1066558255.db2.gz QVXPUPLKSCIKNJ-UHFFFAOYSA-N 0 0 455.518 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361220855 1066558545 /nfs/dbraw/zinc/55/85/45/1066558545.db2.gz GSIUMHGGHMYAEY-CVEARBPZSA-N 0 0 484.601 4.701 20 0 JJADRN O=C(Cc1c[nH]c2cc(Br)ccc12)NCCCc1cccc(Br)c1 ZINC001456301906 1066558429 /nfs/dbraw/zinc/55/84/29/1066558429.db2.gz SYJSYTJSGRVFOW-UHFFFAOYSA-N 0 0 450.174 4.984 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCOc2ccc(F)cc2)o1 ZINC001361220857 1066558560 /nfs/dbraw/zinc/55/85/60/1066558560.db2.gz GTWWTWFADLCDIS-KRWDZBQOSA-N 0 0 481.494 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCCOc2ccc(F)cc2)o1 ZINC001361220945 1066558879 /nfs/dbraw/zinc/55/88/79/1066558879.db2.gz JLLJBPMKTVSKMQ-SFHVURJKSA-N 0 0 499.587 4.900 20 0 JJADRN Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC001456303150 1066559199 /nfs/dbraw/zinc/55/91/99/1066559199.db2.gz KGYYMFHTSXOSSV-UHFFFAOYSA-N 0 0 458.400 4.562 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC001456304801 1066559657 /nfs/dbraw/zinc/55/96/57/1066559657.db2.gz UKRUFGHRNMPQHU-JOCHJYFZSA-N 0 0 456.652 4.548 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2Cc2ccc(Cl)cc2)o1 ZINC001361221263 1066559934 /nfs/dbraw/zinc/55/99/34/1066559934.db2.gz SQKQYHMHHUQGMK-HNNXBMFYSA-N 0 0 453.896 4.621 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H]2CCCCC2(F)F)o1 ZINC001361221452 1066559990 /nfs/dbraw/zinc/55/99/90/1066559990.db2.gz YWLRTMXJIXLJLV-HOTGVXAUSA-N 0 0 461.479 4.745 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c(C)c1Br ZINC001445343864 1066559997 /nfs/dbraw/zinc/55/99/97/1066559997.db2.gz CRRWBYQIJQEQPB-UHFFFAOYSA-N 0 0 457.412 4.682 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccc(C(F)(F)F)c2)o1 ZINC001361221537 1066560478 /nfs/dbraw/zinc/56/04/78/1066560478.db2.gz ZWUJDUTUYRFSBF-UHFFFAOYSA-N 0 0 491.514 4.971 20 0 JJADRN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001361221655 1066560505 /nfs/dbraw/zinc/56/05/05/1066560505.db2.gz FOZKYXRUZGSBAN-AZUAARDMSA-N 0 0 459.512 4.619 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1OCc1cscn1 ZINC001545974030 1066560545 /nfs/dbraw/zinc/56/05/45/1066560545.db2.gz NBIDPLSOBAAGOQ-SFTDATJTSA-N 0 0 456.539 4.598 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)c(C(C)(C)C)n2)cc1 ZINC001456309162 1066560579 /nfs/dbraw/zinc/56/05/79/1066560579.db2.gz BZCYBTCBJCWCFZ-UHFFFAOYSA-N 0 0 459.594 4.820 20 0 JJADRN Cc1ccc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)c(Br)c1 ZINC001456312447 1066560640 /nfs/dbraw/zinc/56/06/40/1066560640.db2.gz QRROKVFICOEYFP-UHFFFAOYSA-N 0 0 456.340 4.927 20 0 JJADRN Cc1cc(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC001445350273 1066561169 /nfs/dbraw/zinc/56/11/69/1066561169.db2.gz PMJRXFQLHCYKOD-LJQANCHMSA-N 0 0 458.267 4.667 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001361223561 1066561378 /nfs/dbraw/zinc/56/13/78/1066561378.db2.gz RFDJCKFCLYDALE-UHFFFAOYSA-N 0 0 456.340 4.918 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2)cc1C ZINC001445358360 1066561691 /nfs/dbraw/zinc/56/16/91/1066561691.db2.gz MFRYZHGLTDCCHT-UHFFFAOYSA-N 0 0 456.608 4.573 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001445357096 1066561749 /nfs/dbraw/zinc/56/17/49/1066561749.db2.gz YCUMZYDTFDBDOJ-INIZCTEOSA-N 0 0 454.645 4.730 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001456320284 1066561758 /nfs/dbraw/zinc/56/17/58/1066561758.db2.gz PWAAQUKZPRQIDG-NRFANRHFSA-N 0 0 453.583 4.945 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCCSCC(C)C)o1 ZINC001361224055 1066561930 /nfs/dbraw/zinc/56/19/30/1066561930.db2.gz IAAGECAISPGPJN-MRXNPFEDSA-N 0 0 459.582 4.699 20 0 JJADRN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1c(Cl)cc(Br)cc1Cl ZINC001456320209 1066562272 /nfs/dbraw/zinc/56/22/72/1066562272.db2.gz HHQZVSXJMMNVTL-UHFFFAOYSA-N 0 0 457.107 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@@H]3CCSC(C)(C)C3)s2)CC1 ZINC001456322488 1066562282 /nfs/dbraw/zinc/56/22/82/1066562282.db2.gz MIHDIFMTJFFFBS-MRXNPFEDSA-N 0 0 453.674 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CCCC2CCCC2)o1 ZINC001361224151 1066562449 /nfs/dbraw/zinc/56/24/49/1066562449.db2.gz KQEHGNZMDJEALU-UHFFFAOYSA-N 0 0 457.516 4.839 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC001445364509 1066562649 /nfs/dbraw/zinc/56/26/49/1066562649.db2.gz AMERUBFVFZJSJR-UHFFFAOYSA-N 0 0 452.507 4.706 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)c1 ZINC001456324167 1066562676 /nfs/dbraw/zinc/56/26/76/1066562676.db2.gz VYKBKPDXFIJOEU-OAQYLSRUSA-N 0 0 454.636 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CCOc2ccccc2Cl)o1 ZINC001361224308 1066562812 /nfs/dbraw/zinc/56/28/12/1066562812.db2.gz PIXATQJGLOFYJO-OAHLLOKOSA-N 0 0 483.922 4.652 20 0 JJADRN O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc2scc(Br)c2c1 ZINC001445370277 1066563170 /nfs/dbraw/zinc/56/31/70/1066563170.db2.gz JQPAKTKVIOMHGM-IBGZPJMESA-N 0 0 457.393 4.627 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 ZINC001445369800 1066563182 /nfs/dbraw/zinc/56/31/82/1066563182.db2.gz WOZPTHZWLDAASV-UHFFFAOYSA-N 0 0 452.551 4.680 20 0 JJADRN Cc1cc2nc(-c3ccc(CNC(=O)CCn4cc(Br)cn4)cc3)[nH]c2cc1C ZINC001445366529 1066563229 /nfs/dbraw/zinc/56/32/29/1066563229.db2.gz UEUZZHRZXKVUQU-UHFFFAOYSA-N 0 0 452.356 4.512 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)CCC2CCCCC2)cc1 ZINC001456328050 1066563221 /nfs/dbraw/zinc/56/32/21/1066563221.db2.gz BHRYQUVXKOSZGT-LJQANCHMSA-N 0 0 458.624 4.999 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)CC1 ZINC001456331343 1066563851 /nfs/dbraw/zinc/56/38/51/1066563851.db2.gz MONRQSVOKWZTTL-GAJHUEQPSA-N 0 0 455.553 4.898 20 0 JJADRN CCN(C[C@H]1CCN(C(=O)c2sc(-c3ccc(OC)cc3F)nc2C)C1)CC(F)(F)F ZINC001445374809 1066564466 /nfs/dbraw/zinc/56/44/66/1066564466.db2.gz XRDJCRWMDKBDEZ-CQSZACIVSA-N 0 0 459.509 4.613 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cccc2c1NC(=O)CO2 ZINC001456334726 1066564446 /nfs/dbraw/zinc/56/44/46/1066564446.db2.gz AYHIJMFJJDGGLD-UHFFFAOYSA-N 0 0 452.850 4.502 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)C1)CC(F)(F)F ZINC001445374242 1066564546 /nfs/dbraw/zinc/56/45/46/1066564546.db2.gz VILUXFNWLAISGC-AWEZNQCLSA-N 0 0 451.327 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)C(C)(C)C1 ZINC001456337679 1066564849 /nfs/dbraw/zinc/56/48/49/1066564849.db2.gz MLSXVTWRUJLXJZ-UHFFFAOYSA-N 0 0 450.004 4.859 20 0 JJADRN O=C(NCc1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cs1)c1ccccc1 ZINC001445376927 1066564857 /nfs/dbraw/zinc/56/48/57/1066564857.db2.gz ZWNIBHZRWPBKHR-UHFFFAOYSA-N 0 0 453.995 4.855 20 0 JJADRN COc1ccccc1/C=C(/C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1 ZINC001445378993 1066565033 /nfs/dbraw/zinc/56/50/33/1066565033.db2.gz ZJYOIKZCQHVYTF-LODUGJCVSA-N 0 0 454.570 4.586 20 0 JJADRN CN(C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001445386702 1066565373 /nfs/dbraw/zinc/56/53/73/1066565373.db2.gz BSHVICMPFCTPNS-YFVAEKQCSA-N 0 0 458.990 4.761 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)NC(=O)OC(C)(C)C ZINC001545974617 1066565575 /nfs/dbraw/zinc/56/55/75/1066565575.db2.gz BORZUTSLINVDRJ-OAQYLSRUSA-N 0 0 493.656 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001361227463 1066565934 /nfs/dbraw/zinc/56/59/34/1066565934.db2.gz NQDDFRFGOOTQRF-INIZCTEOSA-N 0 0 465.436 4.835 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545974655 1066565927 /nfs/dbraw/zinc/56/59/27/1066565927.db2.gz CKOGBTBBYCAXLW-ZWKOTPCHSA-N 0 0 452.603 4.729 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCCOc2ccc(F)cc2)o1 ZINC001361227329 1066566077 /nfs/dbraw/zinc/56/60/77/1066566077.db2.gz KHVLVWFRAVDVOY-LJQANCHMSA-N 0 0 468.451 4.612 20 0 JJADRN CC(C)c1ccc(Oc2cc(C(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)ccn2)cc1 ZINC001445388515 1066566038 /nfs/dbraw/zinc/56/60/38/1066566038.db2.gz ZGXVMFNJHLPVPE-RUZDIDTESA-N 0 0 457.574 4.961 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)s1 ZINC001445391182 1066566061 /nfs/dbraw/zinc/56/60/61/1066566061.db2.gz KFAXXONOTUXTBR-AWEZNQCLSA-N 0 0 450.630 4.589 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)s1 ZINC001445390519 1066566180 /nfs/dbraw/zinc/56/61/80/1066566180.db2.gz JUSARCIRZCCXTC-GOSISDBHSA-N 0 0 457.621 4.977 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456342990 1066566283 /nfs/dbraw/zinc/56/62/83/1066566283.db2.gz XVFOCKFDPWNUEP-HYBUGGRVSA-N 0 0 454.636 4.742 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 ZINC001445394393 1066566589 /nfs/dbraw/zinc/56/65/89/1066566589.db2.gz SUXMBWMOBNYOAD-HSZRJFAPSA-N 0 0 454.592 4.949 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc2c1Br ZINC001445398979 1066566652 /nfs/dbraw/zinc/56/66/52/1066566652.db2.gz WIROLXHQFSQIAM-UHFFFAOYSA-N 0 0 452.393 4.862 20 0 JJADRN CN(C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001445392530 1066566669 /nfs/dbraw/zinc/56/66/69/1066566669.db2.gz PFOFIQDCVDLKDS-DSKINZAPSA-N 0 0 458.990 4.761 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC001456346631 1066566855 /nfs/dbraw/zinc/56/68/55/1066566855.db2.gz ZMNVEMVDZJNRCN-GGPKGHCWSA-N 0 0 456.926 4.552 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001456346721 1066566864 /nfs/dbraw/zinc/56/68/64/1066566864.db2.gz WEHCOFGBENXMNB-YTQUADARSA-N 0 0 453.302 4.967 20 0 JJADRN COc1cccc([C@H](NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399674 1066567186 /nfs/dbraw/zinc/56/71/86/1066567186.db2.gz YWJMFOHNYAMIOZ-NVQXNPDNSA-N 0 0 459.521 4.994 20 0 JJADRN CCOc1cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OCc1cccnc1 ZINC001445401092 1066567202 /nfs/dbraw/zinc/56/72/02/1066567202.db2.gz GHIDEZGPUUSSCZ-ZUQCGGBESA-N 0 0 452.576 4.630 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)sc21 ZINC001456351556 1066567229 /nfs/dbraw/zinc/56/72/29/1066567229.db2.gz HEMCGMOLFCSSAL-UHFFFAOYSA-N 0 0 456.524 4.918 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001456351060 1066567256 /nfs/dbraw/zinc/56/72/56/1066567256.db2.gz LJJRISPMBOYMBA-UHFFFAOYSA-N 0 0 458.324 4.843 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)o1 ZINC001361228677 1066567467 /nfs/dbraw/zinc/56/74/67/1066567467.db2.gz ZYTPUPQYRXBGCS-FQEVSTJZSA-N 0 0 458.308 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](CCc4ccccc4)C3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361228836 1066567519 /nfs/dbraw/zinc/56/75/19/1066567519.db2.gz GTFVEMFSENKMQC-KCWPFWIISA-N 0 0 466.626 4.872 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)Cn3ncc(=O)c4ccccc43)cc2C)c1 ZINC001456352199 1066567699 /nfs/dbraw/zinc/56/76/99/1066567699.db2.gz CDCPCKGONCFNAW-UHFFFAOYSA-N 0 0 455.558 4.559 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4Cl)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361229107 1066568262 /nfs/dbraw/zinc/56/82/62/1066568262.db2.gz MQRITLWZOFGACK-HXUWFJFHSA-N 0 0 497.949 4.962 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC001361229423 1066568668 /nfs/dbraw/zinc/56/86/68/1066568668.db2.gz FGYRFZXFFNHIDZ-NRFANRHFSA-N 0 0 456.652 4.575 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@](C)(O)C(C)C)cc1Br ZINC001361229347 1066568703 /nfs/dbraw/zinc/56/87/03/1066568703.db2.gz QGRQRTZGXKVYBB-YKSBVNFPSA-N 0 0 491.474 4.676 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC001456356309 1066568806 /nfs/dbraw/zinc/56/88/06/1066568806.db2.gz DBNONMWJXNZPQB-UHFFFAOYSA-N 0 0 457.578 4.908 20 0 JJADRN CCOc1ccc(CCCC(=O)Nc2nc3nc(C)cc(C(=O)OC)c3s2)cc1OCC ZINC001456356540 1066568884 /nfs/dbraw/zinc/56/88/84/1066568884.db2.gz PKSJLZAUBKTSGY-UHFFFAOYSA-N 0 0 457.552 4.545 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001546081754 1066569409 /nfs/dbraw/zinc/56/94/09/1066569409.db2.gz WECIJPMZNPRKOD-FOMLIJIXSA-N 0 0 484.975 4.932 20 0 JJADRN CN(C(=O)[C@@H]1CCCn2ncnc21)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419229 1066569266 /nfs/dbraw/zinc/56/92/66/1066569266.db2.gz UCKOSEIKILJXSN-RTBURBONSA-N 0 0 459.775 4.819 20 0 JJADRN CN(C(=O)CNC(=O)C(C)(C)C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419245 1066569484 /nfs/dbraw/zinc/56/94/84/1066569484.db2.gz UEIKUWJXTQQUGK-LJQANCHMSA-N 0 0 451.792 4.813 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@H](C)Cc2cc(C)cc(C)c2)nnc1-c1ccccc1 ZINC001361230104 1066569363 /nfs/dbraw/zinc/56/93/63/1066569363.db2.gz NACMLCLMHWRARQ-WOJBJXKFSA-N 0 0 452.624 4.609 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)nnc1-c1ccccc1 ZINC001361230101 1066569507 /nfs/dbraw/zinc/56/95/07/1066569507.db2.gz NACMLCLMHWRARQ-PMACEKPBSA-N 0 0 452.624 4.609 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)c1-c1cccc(Br)c1 ZINC001445424013 1066570075 /nfs/dbraw/zinc/57/00/75/1066570075.db2.gz GXBMYLUPKOXVIC-MRXNPFEDSA-N 0 0 454.246 4.839 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361230790 1066570039 /nfs/dbraw/zinc/57/00/39/1066570039.db2.gz CBJIMHYGWSXNAB-GOSISDBHSA-N 0 0 475.659 4.825 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC2(O)CCCC2)cc1Br ZINC001361230834 1066570080 /nfs/dbraw/zinc/57/00/80/1066570080.db2.gz DEQVICNUANXVFG-IBGZPJMESA-N 0 0 479.488 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H]2CCCO2)cc1Br ZINC001361230873 1066570503 /nfs/dbraw/zinc/57/05/03/1066570503.db2.gz DYZHFXUFNFGZDA-INMHGKMJSA-N 0 0 451.434 4.525 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)C1 ZINC001361231053 1066570517 /nfs/dbraw/zinc/57/05/17/1066570517.db2.gz JYNJNCRQUCLIMP-ZDUSSCGKSA-N 0 0 462.417 4.611 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)cc2)c1 ZINC001456361705 1066570860 /nfs/dbraw/zinc/57/08/60/1066570860.db2.gz RZBFQANBEPVXBF-UHFFFAOYSA-N 0 0 451.526 4.868 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)nc1C(C)(C)C ZINC001445433382 1066570918 /nfs/dbraw/zinc/57/09/18/1066570918.db2.gz HIOJEEDAWYBDRD-ZDUSSCGKSA-N 0 0 455.621 4.837 20 0 JJADRN O=C(CCc1nc(-c2ccco2)no1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001456362774 1066571188 /nfs/dbraw/zinc/57/11/88/1066571188.db2.gz TZQVEISDSVFZKE-UHFFFAOYSA-N 0 0 458.396 4.785 20 0 JJADRN COC(=O)c1sc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)nc1C(C)(C)C ZINC001445437705 1066571456 /nfs/dbraw/zinc/57/14/56/1066571456.db2.gz NFVMLDJWBXGQNT-UHFFFAOYSA-N 0 0 450.582 4.548 20 0 JJADRN Cc1cc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)n(Cc2ccccn2)n1 ZINC001361231668 1066571918 /nfs/dbraw/zinc/57/19/18/1066571918.db2.gz IKWBXMSXOBWTMA-UHFFFAOYSA-N 0 0 455.946 4.816 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@@H](C)c2nccs2)cc1Br ZINC001361231587 1066571948 /nfs/dbraw/zinc/57/19/48/1066571948.db2.gz FDOQFZGRMGJOIT-CYBMUJFWSA-N 0 0 458.389 4.753 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@H](C)c2nccs2)cc1Br ZINC001361231588 1066571980 /nfs/dbraw/zinc/57/19/80/1066571980.db2.gz FDOQFZGRMGJOIT-ZDUSSCGKSA-N 0 0 458.389 4.753 20 0 JJADRN O=C(Cn1cc(Br)ccc1=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001456367623 1066572082 /nfs/dbraw/zinc/57/20/82/1066572082.db2.gz AFIODKVRKKUDFP-UHFFFAOYSA-N 0 0 450.292 4.590 20 0 JJADRN Cc1ccc(Sc2c(Cl)cccc2NC(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC001456364689 1066572140 /nfs/dbraw/zinc/57/21/40/1066572140.db2.gz ZTYLNCSGPFCBBZ-UHFFFAOYSA-N 0 0 453.955 4.753 20 0 JJADRN O=C(Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F)c1scnc1Br ZINC001456364475 1066572160 /nfs/dbraw/zinc/57/21/60/1066572160.db2.gz PTRMLVGGYMLUNR-UHFFFAOYSA-N 0 0 451.252 4.882 20 0 JJADRN COc1ccc(COC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(OC(F)F)c1 ZINC001456367675 1066572193 /nfs/dbraw/zinc/57/21/93/1066572193.db2.gz QKTQNCVOMGABDQ-UHFFFAOYSA-N 0 0 450.388 4.606 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361231815 1066572395 /nfs/dbraw/zinc/57/23/95/1066572395.db2.gz GFQFPPCVKLPBLL-XHSDSOJGSA-N 0 0 467.561 4.829 20 0 JJADRN Cc1sc2ncnc(SCC(=O)N[C@H](C)c3noc(-c4ccc(Cl)cc4)n3)c2c1C ZINC001445449775 1066572495 /nfs/dbraw/zinc/57/24/95/1066572495.db2.gz ZUAZOXDZIMTMDM-LLVKDONJSA-N 0 0 459.984 4.981 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)c3ccc(C(F)(F)F)c(O)c3)ccc2[nH]1 ZINC001456368830 1066572552 /nfs/dbraw/zinc/57/25/52/1066572552.db2.gz BIVKATYVCCTBKV-UHFFFAOYSA-N 0 0 450.417 4.564 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCc2ccccc2)o1 ZINC001361232442 1066572809 /nfs/dbraw/zinc/57/28/09/1066572809.db2.gz OVVMZOXPBHKDOZ-NRFANRHFSA-N 0 0 465.598 4.973 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccccc2NCCC2=CCCCC2)CCO1 ZINC001445459632 1066573710 /nfs/dbraw/zinc/57/37/10/1066573710.db2.gz HGYPKTWDDMYNLV-AUSIDOKSSA-N 0 0 457.615 4.743 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)OC ZINC001545975392 1066573741 /nfs/dbraw/zinc/57/37/41/1066573741.db2.gz QRLJIMONGYHBQM-FQEVSTJZSA-N 0 0 496.656 4.603 20 0 JJADRN O=C(CCc1ccc(F)cc1)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361233179 1066573895 /nfs/dbraw/zinc/57/38/95/1066573895.db2.gz FBZHQSGJKAWYBP-UHFFFAOYSA-N 0 0 459.281 4.888 20 0 JJADRN COc1ccc(C[C@@H]2CCN2C(=O)c2cc(Br)c(C)cc2Br)cc1 ZINC001445463905 1066574183 /nfs/dbraw/zinc/57/41/83/1066574183.db2.gz QCNCQZQHYOAEKC-AWEZNQCLSA-N 0 0 453.174 4.986 20 0 JJADRN O=C(Cc1ccc(I)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001456382920 1066574330 /nfs/dbraw/zinc/57/43/30/1066574330.db2.gz LGAQEURRLIEXFG-UHFFFAOYSA-N 0 0 451.201 4.564 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(Cl)c1F ZINC001456382848 1066574442 /nfs/dbraw/zinc/57/44/42/1066574442.db2.gz WOQMGVURHASLBE-KRWDZBQOSA-N 0 0 454.876 4.670 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(F)F)c2)o1 ZINC001361234301 1066574756 /nfs/dbraw/zinc/57/47/56/1066574756.db2.gz MVZGCVSQEWUHKR-IBGZPJMESA-N 0 0 457.525 4.819 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361234668 1066574984 /nfs/dbraw/zinc/57/49/84/1066574984.db2.gz QAHIYRBILUWXLP-NRFANRHFSA-N 0 0 492.624 4.695 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc(Br)c1OC ZINC001456385156 1066574975 /nfs/dbraw/zinc/57/49/75/1066574975.db2.gz RACSWLXWTXEXJI-UHFFFAOYSA-N 0 0 450.226 4.810 20 0 JJADRN O=C(Nc1cccc(OC(=O)c2ccn(-c3cccc(Br)c3)n2)c1)c1ccco1 ZINC001456385539 1066575071 /nfs/dbraw/zinc/57/50/71/1066575071.db2.gz HCDQSJPOEROYLS-UHFFFAOYSA-N 0 0 452.264 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N2CC(Cc3ccccc3Cl)C2)C1 ZINC001445475110 1066575492 /nfs/dbraw/zinc/57/54/92/1066575492.db2.gz NURRHKSPGQSLRR-UHFFFAOYSA-N 0 0 456.970 4.784 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC001361235450 1066575863 /nfs/dbraw/zinc/57/58/63/1066575863.db2.gz SZWHHUBECCUVEG-HXUWFJFHSA-N 0 0 457.603 4.786 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccccn2)cc1 ZINC001456392208 1066576000 /nfs/dbraw/zinc/57/60/00/1066576000.db2.gz HGLKXTBPEMWARP-IBGZPJMESA-N 0 0 452.580 4.585 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Br)s3)n2CCOCCCO)cc1 ZINC001361235973 1066576214 /nfs/dbraw/zinc/57/62/14/1066576214.db2.gz BRVAOUOFRBBQHD-GOSISDBHSA-N 0 0 491.455 4.818 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445485120 1066576265 /nfs/dbraw/zinc/57/62/65/1066576265.db2.gz NZTWZMNDVUYLTH-UHFFFAOYSA-N 0 0 453.367 4.888 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)o1 ZINC001361235932 1066576346 /nfs/dbraw/zinc/57/63/46/1066576346.db2.gz AQHCSDHXEZTQAJ-SFTDATJTSA-N 0 0 487.645 4.798 20 0 JJADRN CC[C@@H](NC(=O)c1cnc(OC)nc1)c1ccccc1OCc1ccccc1Br ZINC001456392457 1066576606 /nfs/dbraw/zinc/57/66/06/1066576606.db2.gz DHEKXUJEKJUPRW-LJQANCHMSA-N 0 0 456.340 4.708 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361236019 1066576748 /nfs/dbraw/zinc/57/67/48/1066576748.db2.gz CGQVYFFOJIDXQX-UFYCRDLUSA-N 0 0 473.618 4.574 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@@H]3COC(C)(C)O3)cc12 ZINC001445488088 1066576873 /nfs/dbraw/zinc/57/68/73/1066576873.db2.gz VZPODCOXDYZGGT-CQSZACIVSA-N 0 0 454.379 4.643 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)c1)c1cccnc1 ZINC001445487836 1066576962 /nfs/dbraw/zinc/57/69/62/1066576962.db2.gz ZOHPVXPGGPUIEK-UHFFFAOYSA-N 0 0 455.436 4.547 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001445487278 1066576988 /nfs/dbraw/zinc/57/69/88/1066576988.db2.gz UOAABUGJYYGBMN-CRAIPNDOSA-N 0 0 456.505 4.622 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N(CCC(C)C)C2CC2)cc1 ZINC001361236780 1066577239 /nfs/dbraw/zinc/57/72/39/1066577239.db2.gz KVVWVGCNBYCKIP-LADGPHEKSA-N 0 0 467.658 4.908 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)o1 ZINC001361236768 1066577296 /nfs/dbraw/zinc/57/72/96/1066577296.db2.gz KRLQOIXOPOTBHZ-PMACEKPBSA-N 0 0 473.618 4.876 20 0 JJADRN CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001445491208 1066577377 /nfs/dbraw/zinc/57/73/77/1066577377.db2.gz NIKSPTVASGDQFT-XTEPFMGCSA-N 0 0 458.602 4.587 20 0 JJADRN C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001445491290 1066577399 /nfs/dbraw/zinc/57/73/99/1066577399.db2.gz JJROLMUSWKHESN-BEFAXECRSA-N 0 0 458.440 4.517 20 0 JJADRN Cc1sc2ncnc(SCC(=O)NCc3csc(CCc4ccccc4)n3)c2c1C ZINC001445490418 1066577467 /nfs/dbraw/zinc/57/74/67/1066577467.db2.gz QNPXSNVSXKVNPT-UHFFFAOYSA-N 0 0 454.646 4.958 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001456395530 1066577635 /nfs/dbraw/zinc/57/76/35/1066577635.db2.gz ZEYBWYZXJQUVON-MGBGTMOVSA-N 0 0 459.571 4.972 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)no1 ZINC001361236935 1066577540 /nfs/dbraw/zinc/57/75/40/1066577540.db2.gz IFQZSLDNWOKBAF-GUYCJALGSA-N 0 0 451.354 4.607 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)CCc2cccn2C)c1 ZINC001456395015 1066577725 /nfs/dbraw/zinc/57/77/25/1066577725.db2.gz XTWRFQOIMYOLAV-IBGZPJMESA-N 0 0 458.562 4.646 20 0 JJADRN COCCOc1ccccc1N1CCN(C(=O)C2(c3ccc(C(C)C)cc3)CCCC2)CC1 ZINC001445494291 1066577950 /nfs/dbraw/zinc/57/79/50/1066577950.db2.gz PTVREJWDBKHAOT-UHFFFAOYSA-N 0 0 450.623 4.996 20 0 JJADRN O=C(c1cccc2c1CCC2)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361237412 1066578159 /nfs/dbraw/zinc/57/81/59/1066578159.db2.gz HUOITIVPDDXKRM-UHFFFAOYSA-N 0 0 453.302 4.919 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC001445502297 1066578360 /nfs/dbraw/zinc/57/83/60/1066578360.db2.gz JIWYOODPCZOEMU-HIFRSBDPSA-N 0 0 458.194 4.751 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1OC ZINC001456404462 1066579138 /nfs/dbraw/zinc/57/91/38/1066579138.db2.gz XFRDPBPWHAPPCE-UHFFFAOYSA-N 0 0 455.885 4.621 20 0 JJADRN COC(=O)C1([C@]2(O)CCCN(C(=O)/C=C\c3cccc(-c4ccc(Cl)cc4)c3)C2)CCC1 ZINC001456402844 1066579438 /nfs/dbraw/zinc/57/94/38/1066579438.db2.gz ZWJWYJZCRKYCTH-HHOYXCGKSA-N 0 0 453.966 4.717 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001361238740 1066579647 /nfs/dbraw/zinc/57/96/47/1066579647.db2.gz XRLCPYZJOSWSDO-KNQAVFIVSA-N 0 0 477.613 4.546 20 0 JJADRN CC[C@H](C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1c(C)noc1C ZINC001456407177 1066579769 /nfs/dbraw/zinc/57/97/69/1066579769.db2.gz ATMKRQXRSWSERF-DEOSSOPVSA-N 0 0 451.542 4.852 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001361238632 1066579747 /nfs/dbraw/zinc/57/97/47/1066579747.db2.gz WVQFKURTMKCPTC-XFSFLGPDSA-N 0 0 471.696 4.831 20 0 JJADRN COc1cc(Cl)ccc1C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001456406972 1066579860 /nfs/dbraw/zinc/57/98/60/1066579860.db2.gz CCKADOBVWTVWSD-UHFFFAOYSA-N 0 0 451.697 4.950 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)c2c1C ZINC001456408282 1066579893 /nfs/dbraw/zinc/57/98/93/1066579893.db2.gz CIQDYVZFBYYNRN-NDEPHWFRSA-N 0 0 454.042 4.879 20 0 JJADRN O=C(Cc1csc(-c2cccnc2)n1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456408874 1066580198 /nfs/dbraw/zinc/58/01/98/1066580198.db2.gz IJUHZGSLRHOXFC-UHFFFAOYSA-N 0 0 458.366 4.667 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)nnc2-c2ccco2)cc1 ZINC001456409765 1066580276 /nfs/dbraw/zinc/58/02/76/1066580276.db2.gz HJPNZOGQPTUUOH-MBOZVWFJSA-N 0 0 454.596 4.959 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)cc1 ZINC001361239009 1066580796 /nfs/dbraw/zinc/58/07/96/1066580796.db2.gz ZPZYKDKJVJDYPM-SFHVURJKSA-N 0 0 475.565 4.549 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1 ZINC001456410951 1066580926 /nfs/dbraw/zinc/58/09/26/1066580926.db2.gz JKGDBCDYNKAMTO-UHFFFAOYSA-N 0 0 453.951 4.858 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(CC(C)C)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361239501 1066581258 /nfs/dbraw/zinc/58/12/58/1066581258.db2.gz HBFZEMCOMHMHHL-AZGAKELHSA-N 0 0 454.659 4.942 20 0 JJADRN Cc1ccc(CCn2c(C(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(C)c1 ZINC001361239420 1066581340 /nfs/dbraw/zinc/58/13/40/1066581340.db2.gz FFJDFVLSHFCDRL-SZPZYZBQSA-N 0 0 453.631 4.564 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)nn1-c1c(Cl)cccc1Cl ZINC001445523538 1066581457 /nfs/dbraw/zinc/58/14/57/1066581457.db2.gz JRMRBURWTGQSPX-HNNXBMFYSA-N 0 0 453.370 4.644 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC001445524618 1066582208 /nfs/dbraw/zinc/58/22/08/1066582208.db2.gz GWSGHKZFKOFUGI-WZONZLPQSA-N 0 0 455.574 4.692 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H]2CCSC2)cc1 ZINC001361240120 1066582185 /nfs/dbraw/zinc/58/21/85/1066582185.db2.gz NLWPCXZBHOTQDH-GOSISDBHSA-N 0 0 460.445 4.539 20 0 JJADRN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001445526740 1066582498 /nfs/dbraw/zinc/58/24/98/1066582498.db2.gz MRRODZSMOKQDHJ-JBRSBNLGSA-N 0 0 459.055 4.922 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456426334 1066582469 /nfs/dbraw/zinc/58/24/69/1066582469.db2.gz FBLJUCSXGOIJBC-KCEHZKJRSA-N 0 0 452.620 4.759 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC001456424355 1066582593 /nfs/dbraw/zinc/58/25/93/1066582593.db2.gz COCHWPTWSVHQAD-UHFFFAOYSA-N 0 0 458.599 4.831 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c(N)c1 ZINC001445527047 1066582517 /nfs/dbraw/zinc/58/25/17/1066582517.db2.gz NNHRBVVKAPTBNK-UHFFFAOYSA-N 0 0 453.391 4.689 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(C)cc3C)C2)sc1C ZINC001361240890 1066582814 /nfs/dbraw/zinc/58/28/14/1066582814.db2.gz XRVZFIHUGATALN-JOCHJYFZSA-N 0 0 480.682 4.733 20 0 JJADRN CN(C)[C@@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 ZINC001456429540 1066582924 /nfs/dbraw/zinc/58/29/24/1066582924.db2.gz GKEBBHQKGVZSMR-HSZRJFAPSA-N 0 0 456.995 4.696 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1)C(C)(C)O ZINC001445528398 1066583068 /nfs/dbraw/zinc/58/30/68/1066583068.db2.gz PMUPMSVFPXJLFW-GOSISDBHSA-N 0 0 457.398 4.663 20 0 JJADRN CN(C)[C@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 ZINC001456429544 1066583129 /nfs/dbraw/zinc/58/31/29/1066583129.db2.gz GKEBBHQKGVZSMR-QHCPKHFHSA-N 0 0 456.995 4.696 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001361241378 1066583195 /nfs/dbraw/zinc/58/31/95/1066583195.db2.gz CBTSNKHKTDETLQ-IBGZPJMESA-N 0 0 497.043 4.990 20 0 JJADRN Cc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361241463 1066583239 /nfs/dbraw/zinc/58/32/39/1066583239.db2.gz FUQXPWWTEQIHBM-QHCPKHFHSA-N 0 0 476.625 4.727 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)cnc1Cl ZINC001456431131 1066583574 /nfs/dbraw/zinc/58/35/74/1066583574.db2.gz IKDIOTRTPANOKU-LLVKDONJSA-N 0 0 453.770 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCc2ccc(C)cc2C)o1 ZINC001361241809 1066583627 /nfs/dbraw/zinc/58/36/27/1066583627.db2.gz QBJSUQXCKCQEDG-UHFFFAOYSA-N 0 0 489.542 4.601 20 0 JJADRN O=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001445532759 1066583809 /nfs/dbraw/zinc/58/38/09/1066583809.db2.gz NXLYEAVDIMVODQ-CEXWTWQISA-N 0 0 466.803 4.932 20 0 JJADRN COc1ccccc1OCCC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445531139 1066583818 /nfs/dbraw/zinc/58/38/18/1066583818.db2.gz IYFYNHILTDNQIB-UHFFFAOYSA-N 0 0 450.720 4.909 20 0 JJADRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001456432455 1066583861 /nfs/dbraw/zinc/58/38/61/1066583861.db2.gz JXUMPTSOFXQOFK-WSTZPKSXSA-N 0 0 458.521 4.581 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241984 1066584109 /nfs/dbraw/zinc/58/41/09/1066584109.db2.gz XEYRIIYSVZVYTI-QFIPXVFZSA-N 0 0 476.625 4.632 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)cc1 ZINC001361242638 1066584189 /nfs/dbraw/zinc/58/41/89/1066584189.db2.gz CIIMFSMXZUOUNS-HXUWFJFHSA-N 0 0 452.603 4.502 20 0 JJADRN Cc1nc(CNC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)oc1-c1ccc(Cl)cc1 ZINC001445534241 1066584328 /nfs/dbraw/zinc/58/43/28/1066584328.db2.gz ADOOQDDUWUGHPK-LJQANCHMSA-N 0 0 451.954 4.898 20 0 JJADRN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456433506 1066584381 /nfs/dbraw/zinc/58/43/81/1066584381.db2.gz SGQGZFPBHSHAKQ-ZWKOTPCHSA-N 0 0 455.530 4.723 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@@H]2C)c(C)c1 ZINC001361243238 1066584637 /nfs/dbraw/zinc/58/46/37/1066584637.db2.gz KQUVLLXEJYPDRS-RRPUWOKSSA-N 0 0 483.657 4.681 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001445537853 1066584770 /nfs/dbraw/zinc/58/47/70/1066584770.db2.gz DUZJWVXVBHKIDB-NJYVYQBISA-N 0 0 458.624 4.846 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 ZINC001445536500 1066584963 /nfs/dbraw/zinc/58/49/63/1066584963.db2.gz ZYPDLCDJWIWRIW-WIYYLYMNSA-N 0 0 455.400 4.539 20 0 JJADRN CCCOc1ccc(C(=O)NCCc2nc3c(s2)COCC3)c(OCc2ccccc2)c1 ZINC001456434941 1066584980 /nfs/dbraw/zinc/58/49/80/1066584980.db2.gz VNPUWDNVNNUIPO-UHFFFAOYSA-N 0 0 452.576 4.556 20 0 JJADRN Cc1ccc(CCn2c(C3CCCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243265 1066585258 /nfs/dbraw/zinc/58/52/58/1066585258.db2.gz LEMWUGYTLGJZDL-OAQYLSRUSA-N 0 0 453.631 4.838 20 0 JJADRN Cc1cc(-c2csc(NC(=O)[C@@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n2)ccc1F ZINC001445538227 1066585267 /nfs/dbraw/zinc/58/52/67/1066585267.db2.gz KTHQHZXUPLZWHT-GOSISDBHSA-N 0 0 459.547 4.538 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC001445540039 1066585335 /nfs/dbraw/zinc/58/53/35/1066585335.db2.gz LJBQMALMKJCFJG-FGZHOGPDSA-N 0 0 450.604 4.742 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2=O)cc1F ZINC001456436303 1066585295 /nfs/dbraw/zinc/58/52/95/1066585295.db2.gz RMXBVRJJLQQTNY-AYLZSAKASA-N 0 0 456.583 4.707 20 0 JJADRN C[C@H](CC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456436784 1066585334 /nfs/dbraw/zinc/58/53/34/1066585334.db2.gz WEYSPUYMTLTCKF-GDZHNBNXSA-N 0 0 455.599 4.726 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001456436384 1066585466 /nfs/dbraw/zinc/58/54/66/1066585466.db2.gz UKHCMCHIQZBZJP-JGCGQSQUSA-N 0 0 452.551 4.810 20 0 JJADRN Cc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)c1 ZINC001361243862 1066585599 /nfs/dbraw/zinc/58/55/99/1066585599.db2.gz WGAWSOZIVXLXBU-HSZRJFAPSA-N 0 0 488.680 4.501 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)C2)cc1 ZINC001361243764 1066585652 /nfs/dbraw/zinc/58/56/52/1066585652.db2.gz UDQRGOMQDLOQMF-IRLDBZIGSA-N 0 0 453.631 4.790 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001361243578 1066585707 /nfs/dbraw/zinc/58/57/07/1066585707.db2.gz OSCGYOVIHVFTBR-WOJBJXKFSA-N 0 0 452.521 4.619 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C1 ZINC001456438107 1066585839 /nfs/dbraw/zinc/58/58/39/1066585839.db2.gz AUBATECVNDTIQV-SFHVURJKSA-N 0 0 453.436 4.644 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(C)nc3cc(C)nn32)c2ccccc2Cl)c(OC)c1 ZINC001361244230 1066586043 /nfs/dbraw/zinc/58/60/43/1066586043.db2.gz GDRQMCZBHUHAQJ-QHCPKHFHSA-N 0 0 450.926 4.536 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456439168 1066586432 /nfs/dbraw/zinc/58/64/32/1066586432.db2.gz QXXLZMNDSVAYJB-RBUKOAKNSA-N 0 0 455.599 4.679 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001361244713 1066586528 /nfs/dbraw/zinc/58/65/28/1066586528.db2.gz SDDZUOOKUBPWQU-DEOSSOPVSA-N 0 0 456.652 4.817 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)c(OCC2CC2)c1 ZINC001445547470 1066586730 /nfs/dbraw/zinc/58/67/30/1066586730.db2.gz SXQVRVMDQNAUDH-UHFFFAOYSA-N 0 0 458.484 4.560 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)n1 ZINC001445552502 1066586773 /nfs/dbraw/zinc/58/67/73/1066586773.db2.gz QFFVRORJOMXXQQ-UHFFFAOYSA-N 0 0 455.536 4.652 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCSC[C@@H]3c3ccccc3)cc2)cc1 ZINC001456439813 1066586962 /nfs/dbraw/zinc/58/69/62/1066586962.db2.gz DYKCWXKDXNIISB-XMMPIXPASA-N 0 0 451.613 4.899 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)CCCCC2)cc1OC ZINC001456440499 1066587031 /nfs/dbraw/zinc/58/70/31/1066587031.db2.gz DOKXMZQORFSLFV-AVRDEDQJSA-N 0 0 450.579 4.930 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361245251 1066587155 /nfs/dbraw/zinc/58/71/55/1066587155.db2.gz IOWTUYJBEXOQPC-HSZRJFAPSA-N 0 0 483.657 4.730 20 0 JJADRN Cn1cc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc(Br)c1=O ZINC001445560720 1066587241 /nfs/dbraw/zinc/58/72/41/1066587241.db2.gz FWPVWKQHOFRPCB-UHFFFAOYSA-N 0 0 450.292 4.722 20 0 JJADRN Cc1ccc(CCn2c(N3CCC=C(Br)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245561 1066587466 /nfs/dbraw/zinc/58/74/66/1066587466.db2.gz QJUPOOTZSQRGML-XMMPIXPASA-N 0 0 489.458 4.667 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361245792 1066587501 /nfs/dbraw/zinc/58/75/01/1066587501.db2.gz GKCFGZPOSSKQSH-VWLOTQADSA-N 0 0 456.667 4.991 20 0 JJADRN CC(C)(NC(=O)c1cc(Br)ccc1I)c1cccs1 ZINC001456442773 1066588008 /nfs/dbraw/zinc/58/80/08/1066588008.db2.gz GVABWDHQQXDDNU-UHFFFAOYSA-N 0 0 450.139 4.780 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)NC2(c3cccc(Cl)c3)CCCC2)cc1 ZINC001445561786 1066587860 /nfs/dbraw/zinc/58/78/60/1066587860.db2.gz LQLXIGFTCCTBLZ-UHFFFAOYSA-N 0 0 456.999 4.872 20 0 JJADRN Cn1cc(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc(Br)c1=O ZINC001445564820 1066588294 /nfs/dbraw/zinc/58/82/94/1066588294.db2.gz TWPKXYQWVCCDGM-UHFFFAOYSA-N 0 0 459.152 4.830 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)s1 ZINC001361246709 1066588417 /nfs/dbraw/zinc/58/84/17/1066588417.db2.gz AAEBBZPPPREOTC-UHFFFAOYSA-N 0 0 486.523 4.999 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1cc(-n2ccnn2)ccc1F ZINC001456446644 1066588935 /nfs/dbraw/zinc/58/89/35/1066588935.db2.gz RRCSEMBREQPRNR-UHFFFAOYSA-N 0 0 450.318 4.606 20 0 JJADRN COc1ccc(C2(CNC(=O)Cn3c(C)nc4cc(F)c(F)cc43)CCCCC2)cc1OC ZINC001456448438 1066589143 /nfs/dbraw/zinc/58/91/43/1066589143.db2.gz OGSFGZOSXWJOBZ-UHFFFAOYSA-N 0 0 457.521 4.658 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445574389 1066589518 /nfs/dbraw/zinc/58/95/18/1066589518.db2.gz UJKSRGFKLUMPIP-HXUWFJFHSA-N 0 0 450.620 4.698 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC001445576322 1066589583 /nfs/dbraw/zinc/58/95/83/1066589583.db2.gz UGTOYJDBBAELLY-AWEZNQCLSA-N 0 0 456.311 4.886 20 0 JJADRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc(Cl)c(I)c1 ZINC001361247419 1066590009 /nfs/dbraw/zinc/59/00/09/1066590009.db2.gz BUNDJAZCQNHFBM-UHFFFAOYSA-N 0 0 459.686 4.519 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cs1)C(N)=O ZINC001456450072 1066589914 /nfs/dbraw/zinc/58/99/14/1066589914.db2.gz RGROHSGURYMMNV-MGPUTAFESA-N 0 0 455.605 4.820 20 0 JJADRN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)c1ccccc1 ZINC001445577584 1066590174 /nfs/dbraw/zinc/59/01/74/1066590174.db2.gz PRTZVAWUTIDYFM-NRFANRHFSA-N 0 0 454.448 4.881 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)cc21 ZINC001545976760 1066590185 /nfs/dbraw/zinc/59/01/85/1066590185.db2.gz WRSYSROGOXIFHL-HNNXBMFYSA-N 0 0 459.315 4.956 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001445577249 1066590195 /nfs/dbraw/zinc/59/01/95/1066590195.db2.gz YGHWQBMSWISAGP-LLVKDONJSA-N 0 0 452.324 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001361248123 1066590807 /nfs/dbraw/zinc/59/08/07/1066590807.db2.gz QULSJJMGIHJJJF-HNNXBMFYSA-N 0 0 451.365 4.690 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)o1 ZINC001361248101 1066590870 /nfs/dbraw/zinc/59/08/70/1066590870.db2.gz GOXHRRCCXFFAHW-KRWDZBQOSA-N 0 0 474.005 4.772 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001445585152 1066590965 /nfs/dbraw/zinc/59/09/65/1066590965.db2.gz MBQKIBJQILRCPS-UHFFFAOYSA-N 0 0 454.390 4.674 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)n[nH]1 ZINC001445584946 1066591048 /nfs/dbraw/zinc/59/10/48/1066591048.db2.gz HTVNPYFINOYHDZ-SANMLTNESA-N 0 0 456.546 4.986 20 0 JJADRN CCC(CC)c1cc(CNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)on1 ZINC001361248228 1066591202 /nfs/dbraw/zinc/59/12/02/1066591202.db2.gz SEGOKXOEJMXXSX-JOCHJYFZSA-N 0 0 454.571 4.812 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1C ZINC001361248139 1066591280 /nfs/dbraw/zinc/59/12/80/1066591280.db2.gz QZYNCIDKTAKJQB-QGZVFWFLSA-N 0 0 456.539 4.693 20 0 JJADRN Cc1cnc(Cl)cc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001456452727 1066591398 /nfs/dbraw/zinc/59/13/98/1066591398.db2.gz SBPSDABTJPKPKB-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001456454044 1066591472 /nfs/dbraw/zinc/59/14/72/1066591472.db2.gz HXXOMIQUQRYGFN-IBGZPJMESA-N 0 0 455.555 4.788 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccco1 ZINC001445586071 1066591548 /nfs/dbraw/zinc/59/15/48/1066591548.db2.gz KWFQAUZPRPFLOK-GOSISDBHSA-N 0 0 455.532 4.504 20 0 JJADRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(F)c(I)c1)c1ccco1 ZINC001445586202 1066591678 /nfs/dbraw/zinc/59/16/78/1066591678.db2.gz LOBGRWLVFAMJHU-AWEZNQCLSA-N 0 0 455.267 4.681 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCOC[C@H]2C)s1 ZINC001361248254 1066591839 /nfs/dbraw/zinc/59/18/39/1066591839.db2.gz IOFOTZCCXJSYMK-KNQAVFIVSA-N 0 0 483.682 4.762 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC001456461374 1066591929 /nfs/dbraw/zinc/59/19/29/1066591929.db2.gz JRAAKDXDYPYVCJ-UHFFFAOYSA-N 0 0 457.702 4.872 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC001445587167 1066592067 /nfs/dbraw/zinc/59/20/67/1066592067.db2.gz SFTQXCQKRZDFDG-QFIPXVFZSA-N 0 0 453.583 4.699 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC2(OC(C)C)CCCCC2)c1 ZINC001445590233 1066592799 /nfs/dbraw/zinc/59/27/99/1066592799.db2.gz ITVYSPKIBGPBCA-UHFFFAOYSA-N 0 0 458.624 4.962 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 ZINC001456466776 1066592708 /nfs/dbraw/zinc/59/27/08/1066592708.db2.gz OMVHQTGXGDJBCZ-OAQYLSRUSA-N 0 0 455.599 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](CCCCc2ccccc2)c2ccccc2)COC1 ZINC001445591090 1066593109 /nfs/dbraw/zinc/59/31/09/1066593109.db2.gz KGEGBIPZJKRLJJ-QHCPKHFHSA-N 0 0 452.595 4.941 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(F)(F)F ZINC001361249359 1066593179 /nfs/dbraw/zinc/59/31/79/1066593179.db2.gz LNWZQOKQSMSNQU-PZJWPPBQSA-N 0 0 457.452 4.525 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(F)(F)F ZINC001361249360 1066593192 /nfs/dbraw/zinc/59/31/92/1066593192.db2.gz LNWZQOKQSMSNQU-TZIWHRDSSA-N 0 0 457.452 4.525 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)c2cccs2)CCO1 ZINC001546082700 1066593319 /nfs/dbraw/zinc/59/33/19/1066593319.db2.gz BICJHCVTCPDYCG-FGZHOGPDSA-N 0 0 491.455 4.682 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CCCC2)o1 ZINC001361249697 1066593564 /nfs/dbraw/zinc/59/35/64/1066593564.db2.gz BGQYHEVVDJLWKR-UHFFFAOYSA-N 0 0 459.388 4.859 20 0 JJADRN C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445600385 1066593646 /nfs/dbraw/zinc/59/36/46/1066593646.db2.gz KLVQKPWUCWCIDO-LLVKDONJSA-N 0 0 457.353 4.656 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCC[C@@H]1c1ccccc1Br ZINC001445600585 1066594081 /nfs/dbraw/zinc/59/40/81/1066594081.db2.gz MOUTVDHLKRVUSX-OAQYLSRUSA-N 0 0 457.368 4.857 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccccc1Br ZINC001445603245 1066594109 /nfs/dbraw/zinc/59/41/09/1066594109.db2.gz UEMYGTQMHWXNSZ-KRWDZBQOSA-N 0 0 455.274 4.561 20 0 JJADRN CCOC(=O)C1(CC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)CCC1 ZINC001445602407 1066594207 /nfs/dbraw/zinc/59/42/07/1066594207.db2.gz SANWHVCLAXLUHG-CYBMUJFWSA-N 0 0 451.386 4.873 20 0 JJADRN C[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445601128 1066594230 /nfs/dbraw/zinc/59/42/30/1066594230.db2.gz ORZTWMUNUVQPHE-VELBRHGASA-N 0 0 457.393 4.843 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456478821 1066594163 /nfs/dbraw/zinc/59/41/63/1066594163.db2.gz NOZORNZBIUHXPE-RHSMWYFYSA-N 0 0 455.530 4.935 20 0 JJADRN CC1(C)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC001456476474 1066594179 /nfs/dbraw/zinc/59/41/79/1066594179.db2.gz KXFOSOMPIBIYEC-DEOSSOPVSA-N 0 0 450.604 4.551 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456478810 1066594241 /nfs/dbraw/zinc/59/42/41/1066594241.db2.gz NOZORNZBIUHXPE-PBHICJAKSA-N 0 0 455.530 4.935 20 0 JJADRN C[C@H](CC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)C(=O)c1ccc(Cl)cc1 ZINC001445609073 1066594565 /nfs/dbraw/zinc/59/45/65/1066594565.db2.gz CIWQOCJGLDOHTR-OXQOHEQNSA-N 0 0 452.938 4.716 20 0 JJADRN COc1cc(CN2CC[C@@H](NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)C2)cc(OC)c1 ZINC001445610029 1066594686 /nfs/dbraw/zinc/59/46/86/1066594686.db2.gz DCLVVPAVYZWNTD-JOCHJYFZSA-N 0 0 457.014 4.851 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Br)CC1=O ZINC001445604609 1066594830 /nfs/dbraw/zinc/59/48/30/1066594830.db2.gz ZCLFULHYMTYYJW-LPHOPBHVSA-N 0 0 457.368 4.564 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Br)CC1=O ZINC001445604612 1066594851 /nfs/dbraw/zinc/59/48/51/1066594851.db2.gz ZCLFULHYMTYYJW-QFBILLFUSA-N 0 0 457.368 4.564 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCO[C@H]2CCCC[C@H]2C)s1 ZINC001361249974 1066595213 /nfs/dbraw/zinc/59/52/13/1066595213.db2.gz MKGIXJQAFZTJSS-WPWBMXPQSA-N 0 0 476.687 4.920 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001456484048 1066595671 /nfs/dbraw/zinc/59/56/71/1066595671.db2.gz YRLMJOACWPFRAU-APWZRJJASA-N 0 0 459.612 4.630 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(Cl)s2)o1 ZINC001361250017 1066595830 /nfs/dbraw/zinc/59/58/30/1066595830.db2.gz NWXAIFKYFCJLCY-QFIPXVFZSA-N 0 0 465.019 4.814 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(Cl)s2)o1 ZINC001361250016 1066595913 /nfs/dbraw/zinc/59/59/13/1066595913.db2.gz NWXAIFKYFCJLCY-JOCHJYFZSA-N 0 0 465.019 4.814 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC001445625204 1066595966 /nfs/dbraw/zinc/59/59/66/1066595966.db2.gz GQEWIOPAVNKZEN-SANMLTNESA-N 0 0 457.530 4.577 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2C2CC2)cc1Cl ZINC001456486463 1066596101 /nfs/dbraw/zinc/59/61/01/1066596101.db2.gz DSCUYVVAIVQJLR-SFHVURJKSA-N 0 0 458.990 4.841 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NC2CCCCC2)o1 ZINC001361250151 1066596207 /nfs/dbraw/zinc/59/62/07/1066596207.db2.gz STANUMCIODTBFM-UHFFFAOYSA-N 0 0 473.524 4.533 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)c2C2CC2)cc1Cl ZINC001456486459 1066596261 /nfs/dbraw/zinc/59/62/61/1066596261.db2.gz DSCUYVVAIVQJLR-GOSISDBHSA-N 0 0 458.990 4.841 20 0 JJADRN O=C(NCc1cnn(CC(F)(F)F)c1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001445631990 1066596149 /nfs/dbraw/zinc/59/61/49/1066596149.db2.gz RWCPYODPTZGBPU-UHFFFAOYSA-N 0 0 456.251 4.913 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361250068 1066596378 /nfs/dbraw/zinc/59/63/78/1066596378.db2.gz PRVDUVLKMONECT-LBPRGKRZSA-N 0 0 473.375 4.982 20 0 JJADRN CC(C)(C)OC(=O)CNC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001456489114 1066596780 /nfs/dbraw/zinc/59/67/80/1066596780.db2.gz NCLOFBGVJYNQTB-UHFFFAOYSA-N 0 0 457.368 4.988 20 0 JJADRN CC(C)c1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1ccccn1 ZINC001456486886 1066596802 /nfs/dbraw/zinc/59/68/02/1066596802.db2.gz FWFUHTFMTARODC-GOSISDBHSA-N 0 0 454.534 4.529 20 0 JJADRN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2sc3ccccc3c2Br)CC1 ZINC001445650170 1066597749 /nfs/dbraw/zinc/59/77/49/1066597749.db2.gz CPNYLOWRPSKFQM-UHFFFAOYSA-N 0 0 459.365 4.860 20 0 JJADRN O=C(/C(=C/c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC001445649761 1066597810 /nfs/dbraw/zinc/59/78/10/1066597810.db2.gz XWVDLRJVVWAVKV-CAPFRKAQSA-N 0 0 452.963 4.632 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)c1cccc(NCc2ccccn2)c1 ZINC001456491058 1066597791 /nfs/dbraw/zinc/59/77/91/1066597791.db2.gz ZMJKTPDKYQKOPW-FQRUVTKNSA-N 0 0 450.583 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2cc(Br)cnc2F)C1 ZINC001456491570 1066597862 /nfs/dbraw/zinc/59/78/62/1066597862.db2.gz KWRAFIBVITYQRO-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC001445644160 1066598010 /nfs/dbraw/zinc/59/80/10/1066598010.db2.gz FPTAKJPFHWIKQP-UHFFFAOYSA-N 0 0 455.308 4.545 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c2c1C ZINC001445644176 1066598051 /nfs/dbraw/zinc/59/80/51/1066598051.db2.gz FTNPKVXHMWLJIL-UHFFFAOYSA-N 0 0 455.605 4.617 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)s1 ZINC001361251137 1066598214 /nfs/dbraw/zinc/59/82/14/1066598214.db2.gz ITMHWCHUFSDLEI-UHFFFAOYSA-N 0 0 457.401 4.680 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@@H](O)C2)o1 ZINC001361251074 1066598275 /nfs/dbraw/zinc/59/82/75/1066598275.db2.gz HOFHEEJSJKQVAG-IAGOWNOFSA-N 0 0 459.388 4.797 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 ZINC001546082813 1066598256 /nfs/dbraw/zinc/59/82/56/1066598256.db2.gz DGHISQORZVYJPC-FQELHTAISA-N 0 0 451.384 4.851 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC001445653326 1066598428 /nfs/dbraw/zinc/59/84/28/1066598428.db2.gz WSUFGVPHNXTUDQ-QHCPKHFHSA-N 0 0 454.567 4.592 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001445652902 1066598488 /nfs/dbraw/zinc/59/84/88/1066598488.db2.gz VEGFAKHHFKBPNK-MRXNPFEDSA-N 0 0 458.967 4.704 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001445655013 1066598871 /nfs/dbraw/zinc/59/88/71/1066598871.db2.gz ZWNQAARMWHIRQR-UHFFFAOYSA-N 0 0 452.732 4.552 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC001445664800 1066599435 /nfs/dbraw/zinc/59/94/35/1066599435.db2.gz AJYXSLSFHRRHGZ-GOSISDBHSA-N 0 0 451.375 4.826 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)c2)n1 ZINC001361251822 1066599554 /nfs/dbraw/zinc/59/95/54/1066599554.db2.gz JXZHWFSMEVQBPY-QHCPKHFHSA-N 0 0 458.484 4.550 20 0 JJADRN CC(C)Oc1cccc([C@@H](O)CNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c1 ZINC001445666507 1066599576 /nfs/dbraw/zinc/59/95/76/1066599576.db2.gz HUCDJSKIIYGACO-QHCPKHFHSA-N 0 0 451.542 4.666 20 0 JJADRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)c12 ZINC001456496910 1066599835 /nfs/dbraw/zinc/59/98/35/1066599835.db2.gz XTZRACQHYVFECF-INIZCTEOSA-N 0 0 456.587 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC001456497604 1066600277 /nfs/dbraw/zinc/60/02/77/1066600277.db2.gz WVJIRFJJCZZUIH-UHFFFAOYSA-N 0 0 458.942 4.586 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)c(Br)c1 ZINC001445674530 1066600556 /nfs/dbraw/zinc/60/05/56/1066600556.db2.gz VUSYSUGPDGXPJQ-HXUWFJFHSA-N 0 0 452.414 4.741 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@@H](CC3CC3)c3ccccc3)n2)cc(Cl)c1OC ZINC001456498242 1066600909 /nfs/dbraw/zinc/60/09/09/1066600909.db2.gz HAPSUKAZEPMWRB-IBGZPJMESA-N 0 0 455.942 4.997 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001445677430 1066601031 /nfs/dbraw/zinc/60/10/31/1066601031.db2.gz HHILLBCBUATYDO-MRXNPFEDSA-N 0 0 450.894 4.704 20 0 JJADRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1c(F)c(Br)ccc1I ZINC001456498544 1066601070 /nfs/dbraw/zinc/60/10/70/1066601070.db2.gz BITJLSDULWDPLP-VHSXEESVSA-N 0 0 454.121 4.844 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC[C@H](O)c2ccsc2)c(OC)c1 ZINC001445679329 1066601117 /nfs/dbraw/zinc/60/11/17/1066601117.db2.gz OBVCVGYUYLCJMU-QFIPXVFZSA-N 0 0 450.560 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)ccc2OC(F)F)o1 ZINC001361253114 1066601151 /nfs/dbraw/zinc/60/11/51/1066601151.db2.gz YDSRCRLLUUJPRZ-UHFFFAOYSA-N 0 0 462.888 4.520 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1C(F)(F)F ZINC001361253010 1066601161 /nfs/dbraw/zinc/60/11/61/1066601161.db2.gz NBGMOGLKQNDYIN-CHWSQXEVSA-N 0 0 455.274 4.698 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2csc(Nc3ccccn3)n2)CC1 ZINC001445679467 1066601849 /nfs/dbraw/zinc/60/18/49/1066601849.db2.gz AQOQQCKKRBIMEK-UHFFFAOYSA-N 0 0 455.609 4.500 20 0 JJADRN C[C@@H](O)C[C@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 ZINC001445679481 1066601860 /nfs/dbraw/zinc/60/18/60/1066601860.db2.gz ASWZVNHDBRJRHX-SJLPKXTDSA-N 0 0 458.352 4.906 20 0 JJADRN COC1CCN(c2ccc(NC(=O)c3ncc4cc(Cl)ccn43)cc2C(F)(F)F)CC1 ZINC001361254136 1066601890 /nfs/dbraw/zinc/60/18/90/1066601890.db2.gz OAXJORJLDBINGW-UHFFFAOYSA-N 0 0 452.864 4.874 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001492598212 1066601896 /nfs/dbraw/zinc/60/18/96/1066601896.db2.gz KTZHQQXRIXHYCS-XLIONFOSSA-N 0 0 452.521 4.554 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@]3(C)Cc4ccc(C)cc4C(=O)O3)s2)cc1 ZINC001456501075 1066602324 /nfs/dbraw/zinc/60/23/24/1066602324.db2.gz RAXHIVBRZNCEJN-LMKMVOKYSA-N 0 0 450.560 4.785 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(I)cc2)o1 ZINC001361254359 1066602415 /nfs/dbraw/zinc/60/24/15/1066602415.db2.gz JPMABTRGKWUIFV-LJQANCHMSA-N 0 0 492.361 4.710 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@]3(C)Cc4ccc(C)cc4C(=O)O3)s2)cc1 ZINC001456501073 1066602441 /nfs/dbraw/zinc/60/24/41/1066602441.db2.gz RAXHIVBRZNCEJN-CPJLOUKISA-N 0 0 450.560 4.785 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC001445682572 1066602523 /nfs/dbraw/zinc/60/25/23/1066602523.db2.gz VPCOHAVNFODBDM-LJQANCHMSA-N 0 0 458.969 4.566 20 0 JJADRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445686539 1066602919 /nfs/dbraw/zinc/60/29/19/1066602919.db2.gz KTZHOSRHMQYEMG-AVRWGWEMSA-N 0 0 451.950 4.978 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnc(C)s2)o1 ZINC001361254973 1066603020 /nfs/dbraw/zinc/60/30/20/1066603020.db2.gz FMCQVBCRTHSVRW-GOSISDBHSA-N 0 0 486.642 4.744 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(C(F)(F)F)CC2)s1 ZINC001361255430 1066603667 /nfs/dbraw/zinc/60/36/67/1066603667.db2.gz LLOJADPCODDADO-CGZBRXJRSA-N 0 0 490.617 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)Nc2cccc(Cl)c2C)s1 ZINC001361255686 1066603728 /nfs/dbraw/zinc/60/37/28/1066603728.db2.gz NOXIEKDSDDMPGV-KRWDZBQOSA-N 0 0 474.030 4.779 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)[nH]n1 ZINC001445688203 1066603866 /nfs/dbraw/zinc/60/38/66/1066603866.db2.gz NPSQUQDTGWTLDE-VWLOTQADSA-N 0 0 457.530 4.518 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)[C@H](C)Sc3nc4ccccc4s3)C2)cc(OC)c1 ZINC001445687156 1066603905 /nfs/dbraw/zinc/60/39/05/1066603905.db2.gz JWBSZZSYPIPAPV-JKSUJKDBSA-N 0 0 457.621 4.897 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2ccnc2C)s1 ZINC001361256102 1066604189 /nfs/dbraw/zinc/60/41/89/1066604189.db2.gz XXTRAWSDVLBXHJ-UHFFFAOYSA-N 0 0 499.685 4.604 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)cs2)s1 ZINC001361256011 1066604347 /nfs/dbraw/zinc/60/43/47/1066604347.db2.gz WBDQSHZWYHTDMC-CYBMUJFWSA-N 0 0 453.431 4.661 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cccc(C(=O)N3CCCC3)n2)c1 ZINC001456506173 1066604394 /nfs/dbraw/zinc/60/43/94/1066604394.db2.gz NVTVQKUQPQOYOL-SANMLTNESA-N 0 0 457.574 4.657 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CCc2ccccc21 ZINC001456506100 1066604992 /nfs/dbraw/zinc/60/49/92/1066604992.db2.gz LFEZVMSDVODRQP-DEOSSOPVSA-N 0 0 458.942 4.822 20 0 JJADRN C[C@]12CN(C(=O)[C@@H](NCC(F)(F)F)c3cc(Br)cs3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001456506179 1066605110 /nfs/dbraw/zinc/60/51/10/1066605110.db2.gz IZCCJNXWGIHMCM-ZLLBLOTGSA-N 0 0 451.352 4.598 20 0 JJADRN COc1ccc(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1Br ZINC001445693345 1066605046 /nfs/dbraw/zinc/60/50/46/1066605046.db2.gz XVXAHYPTZAXQQT-NRFANRHFSA-N 0 0 456.336 4.500 20 0 JJADRN Cc1ccc([C@@H](O)CNC(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)o1 ZINC001445694277 1066605115 /nfs/dbraw/zinc/60/51/15/1066605115.db2.gz OXGAOJIPDYXBIO-INIZCTEOSA-N 0 0 450.354 4.763 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cn1 ZINC001445693040 1066605119 /nfs/dbraw/zinc/60/51/19/1066605119.db2.gz WZLASLOHGVYXQT-HHHXNRCGSA-N 0 0 454.526 4.703 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)cc(OC)c1 ZINC001445692278 1066605144 /nfs/dbraw/zinc/60/51/44/1066605144.db2.gz QKZCGOKQJFHTOU-VOQZNFBZSA-N 0 0 459.384 4.673 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cccc(Br)c1Cl ZINC001456508790 1066605607 /nfs/dbraw/zinc/60/56/07/1066605607.db2.gz SURGJZBVHXLAAD-LLVKDONJSA-N 0 0 458.581 4.874 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC001456508961 1066605721 /nfs/dbraw/zinc/60/57/21/1066605721.db2.gz OUUZIDKVLCBZRZ-UHFFFAOYSA-N 0 0 452.801 4.784 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)Cc3sc(C)nc3-c3cccs3)C2)cc(OC)c1 ZINC001445697495 1066605679 /nfs/dbraw/zinc/60/56/79/1066605679.db2.gz ZJZHNVSFQSFQRL-INIZCTEOSA-N 0 0 457.621 4.843 20 0 JJADRN C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361257064 1066605706 /nfs/dbraw/zinc/60/57/06/1066605706.db2.gz IYIQHCHLPMFHAC-OXQOHEQNSA-N 0 0 452.904 4.678 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N(Cc1cccc(F)c1)C(C)C)NC(=O)OC(C)(C)C ZINC001545978056 1066606318 /nfs/dbraw/zinc/60/63/18/1066606318.db2.gz WXDKVIWIUCVRMQ-HXUWFJFHSA-N 0 0 483.592 4.593 20 0 JJADRN CC(C)Oc1ccc([C@H](O)CNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc1 ZINC001445703607 1066606322 /nfs/dbraw/zinc/60/63/22/1066606322.db2.gz FUZLBVVRNYESAD-LJQANCHMSA-N 0 0 452.776 4.771 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)c2)C1 ZINC001361258166 1066606857 /nfs/dbraw/zinc/60/68/57/1066606857.db2.gz TXYRDEGAOKBALD-HDICACEKSA-N 0 0 456.608 4.834 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001456511417 1066606925 /nfs/dbraw/zinc/60/69/25/1066606925.db2.gz GKTWHOSISNESGY-GSLIJJQTSA-N 0 0 463.599 4.725 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001445704033 1066607003 /nfs/dbraw/zinc/60/70/03/1066607003.db2.gz QRKHTRCXHJYQJX-QUCCMNQESA-N 0 0 458.356 4.736 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001445704038 1066607109 /nfs/dbraw/zinc/60/71/09/1066607109.db2.gz QRKHTRCXHJYQJX-UYAOXDASSA-N 0 0 458.356 4.736 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001456513037 1066607586 /nfs/dbraw/zinc/60/75/86/1066607586.db2.gz HXNBDCNBCZEWTP-RANZSIQMSA-N 0 0 456.505 4.888 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)CCS(=O)(=O)Cc2cccc(C)c2)cc1 ZINC001456512136 1066607625 /nfs/dbraw/zinc/60/76/25/1066607625.db2.gz YPNRMKXDZZBWAE-UHFFFAOYSA-N 0 0 450.604 4.774 20 0 JJADRN CCC(CC)n1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)n1 ZINC001361258427 1066608414 /nfs/dbraw/zinc/60/84/14/1066608414.db2.gz XCJFWTNYTCVVJG-QFIPXVFZSA-N 0 0 459.999 4.821 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001456514937 1066608381 /nfs/dbraw/zinc/60/83/81/1066608381.db2.gz MKWFXHRSODJUQD-INIZCTEOSA-N 0 0 455.440 4.769 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC2CCOCC2)CCO1 ZINC001546082967 1066608405 /nfs/dbraw/zinc/60/84/05/1066608405.db2.gz GYTYOMRBCKUJPM-KBMIEXCESA-N 0 0 493.048 4.663 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cnc3sc(C)c(C)n3c2=O)c2ccccc2Cl)c1 ZINC001456513462 1066608459 /nfs/dbraw/zinc/60/84/59/1066608459.db2.gz IDRCSGUZFZLUMM-FQEVSTJZSA-N 0 0 453.951 4.554 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361258683 1066608438 /nfs/dbraw/zinc/60/84/38/1066608438.db2.gz ZRVPOVMAYFWGAE-UHFFFAOYSA-N 0 0 474.005 4.927 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC2CCOCC2)CCO1 ZINC001546082966 1066608549 /nfs/dbraw/zinc/60/85/49/1066608549.db2.gz GYTYOMRBCKUJPM-DFBJGRDBSA-N 0 0 493.048 4.663 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001456513665 1066608606 /nfs/dbraw/zinc/60/86/06/1066608606.db2.gz IJBQHEONZVGFBZ-DYESRHJHSA-N 0 0 457.546 4.613 20 0 JJADRN CCOc1ccc(SCC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC001445710966 1066608648 /nfs/dbraw/zinc/60/86/48/1066608648.db2.gz JYWGDJHOQRULRL-CQSZACIVSA-N 0 0 459.921 4.640 20 0 JJADRN CCOc1ccc(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1OCC ZINC001445708588 1066608653 /nfs/dbraw/zinc/60/86/53/1066608653.db2.gz GSYZVISQLNNPGI-OAHLLOKOSA-N 0 0 457.880 4.560 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)s1 ZINC001361258978 1066609094 /nfs/dbraw/zinc/60/90/94/1066609094.db2.gz LPDFXDZHWKBENZ-HXUWFJFHSA-N 0 0 482.654 4.670 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1COc2ccc(Br)cc21 ZINC001456516721 1066609907 /nfs/dbraw/zinc/60/99/07/1066609907.db2.gz HMBBZWNWVUREPG-INIZCTEOSA-N 0 0 452.230 4.768 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)cc1OCC ZINC001456518344 1066610407 /nfs/dbraw/zinc/61/04/07/1066610407.db2.gz LZURXKKPKODRLI-FQEVSTJZSA-N 0 0 459.930 4.747 20 0 JJADRN O=C(NCc1ccc(Br)cc1N1CCOCC1)c1ccccc1-c1ccccc1 ZINC001445719265 1066610486 /nfs/dbraw/zinc/61/04/86/1066610486.db2.gz LCLBSWBDHSXYOB-UHFFFAOYSA-N 0 0 451.364 4.883 20 0 JJADRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718669 1066610497 /nfs/dbraw/zinc/61/04/97/1066610497.db2.gz HGIHTOLJZUQGHK-HTAPYJJXSA-N 0 0 456.558 4.928 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC[C@@H](O)C2)o1 ZINC001361260984 1066611090 /nfs/dbraw/zinc/61/10/90/1066611090.db2.gz CPONIQQVJUUMAG-PKOBYXMFSA-N 0 0 489.414 4.709 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)c3cc(NS(C)(=O)=O)cc(C(F)(F)F)c3)c2)n1 ZINC001445723611 1066611630 /nfs/dbraw/zinc/61/16/30/1066611630.db2.gz XLCPSKVMDFVAGX-UHFFFAOYSA-N 0 0 453.442 4.601 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445729111 1066611801 /nfs/dbraw/zinc/61/18/01/1066611801.db2.gz ZBXXTJKIXGGNEA-XCZPVHLTSA-N 0 0 454.570 4.526 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CCC2)s1 ZINC001361261166 1066612475 /nfs/dbraw/zinc/61/24/75/1066612475.db2.gz JPDDTTNBHXYFMO-WJOKGBTCSA-N 0 0 479.071 4.818 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC001445731618 1066612545 /nfs/dbraw/zinc/61/25/45/1066612545.db2.gz PJFDSYSPXCMUEE-XMHCIUCPSA-N 0 0 450.341 4.716 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445734306 1066613029 /nfs/dbraw/zinc/61/30/29/1066613029.db2.gz DFSHNORAVHECHS-INIZCTEOSA-N 0 0 450.526 4.995 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001546083079 1066613591 /nfs/dbraw/zinc/61/35/91/1066613591.db2.gz ILTXMAWGAATMCI-MUEKUWCCSA-N 0 0 460.594 4.504 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001456527328 1066613609 /nfs/dbraw/zinc/61/36/09/1066613609.db2.gz KBNOKUUGDOIXMF-UHFFFAOYSA-N 0 0 453.539 4.609 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Cc1cc(F)ccc1Br ZINC001456526032 1066613678 /nfs/dbraw/zinc/61/36/78/1066613678.db2.gz GEVJCWAWTBYNFE-UHFFFAOYSA-N 0 0 450.308 4.569 20 0 JJADRN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001456528021 1066613689 /nfs/dbraw/zinc/61/36/89/1066613689.db2.gz YWGQQFJYZWTCPN-DJJJIMSYSA-N 0 0 455.908 4.704 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445741016 1066613683 /nfs/dbraw/zinc/61/36/83/1066613683.db2.gz JONSJWYEJAHDPX-STQMWFEESA-N 0 0 450.284 4.747 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445743904 1066613776 /nfs/dbraw/zinc/61/37/76/1066613776.db2.gz LUEMHWGIGITAKS-OLZOCXBDSA-N 0 0 450.284 4.747 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445743908 1066613831 /nfs/dbraw/zinc/61/38/31/1066613831.db2.gz LUEMHWGIGITAKS-STQMWFEESA-N 0 0 450.284 4.747 20 0 JJADRN Cc1nc(C(C)(C)NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)sc1C ZINC001456529379 1066614166 /nfs/dbraw/zinc/61/41/66/1066614166.db2.gz QXSPZDRAKOZSCC-ZDUSSCGKSA-N 0 0 450.655 4.760 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1[nH]c2ccccc2c1Br ZINC001445748143 1066614537 /nfs/dbraw/zinc/61/45/37/1066614537.db2.gz OHKIWMOZFQHWAM-LBPRGKRZSA-N 0 0 455.274 4.530 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)CN2CCOCC2)o1 ZINC001361261849 1066614979 /nfs/dbraw/zinc/61/49/79/1066614979.db2.gz YUXIYRYYXZFLEO-NRFANRHFSA-N 0 0 495.668 4.661 20 0 JJADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001361262167 1066615432 /nfs/dbraw/zinc/61/54/32/1066615432.db2.gz UTVRLQXFJVJCLP-UHFFFAOYSA-N 0 0 463.529 4.588 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)Cn3c(C)c(C)sc3=O)cc21 ZINC001456533653 1066615448 /nfs/dbraw/zinc/61/54/48/1066615448.db2.gz GNBLEQLVLMFLAQ-UHFFFAOYSA-N 0 0 456.564 4.687 20 0 JJADRN CCc1ccc([C@@H](COC)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1 ZINC001456533324 1066615526 /nfs/dbraw/zinc/61/55/26/1066615526.db2.gz FRPAYQSUWBXLDU-QGZVFWFLSA-N 0 0 459.896 4.630 20 0 JJADRN CCc1ccc(-c2nc(C(=O)NC[C@@H](O)COc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC001445779278 1066615954 /nfs/dbraw/zinc/61/59/54/1066615954.db2.gz HNMVQVAJXXQUNC-QGZVFWFLSA-N 0 0 450.482 4.561 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1C ZINC001361262566 1066616057 /nfs/dbraw/zinc/61/60/57/1066616057.db2.gz OESROFQUEDSFHH-AZGAKELHSA-N 0 0 456.542 4.503 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)c(F)c1 ZINC001361264091 1066616646 /nfs/dbraw/zinc/61/66/46/1066616646.db2.gz XQQNERSDTUWXNM-UHFFFAOYSA-N 0 0 476.478 4.590 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001445781946 1066616573 /nfs/dbraw/zinc/61/65/73/1066616573.db2.gz PZEPPRHECRXDBZ-LAUBAEHRSA-N 0 0 459.464 4.696 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)c3ccoc3CC(=O)OC)cc21 ZINC001456536225 1066616703 /nfs/dbraw/zinc/61/67/03/1066616703.db2.gz QBHNPOMYIQWLDU-UHFFFAOYSA-N 0 0 453.491 4.769 20 0 JJADRN Cc1ccc(NC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1O ZINC001445783339 1066616758 /nfs/dbraw/zinc/61/67/58/1066616758.db2.gz YLPMIYVISMGKGD-UHFFFAOYSA-N 0 0 450.970 4.632 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c(OCC2CC2)c1 ZINC001361264694 1066617352 /nfs/dbraw/zinc/61/73/52/1066617352.db2.gz REMUDEJQDICLNG-GOSISDBHSA-N 0 0 465.564 4.620 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(C)cc3OCC(F)(F)F)CC2)n1 ZINC001361264539 1066617414 /nfs/dbraw/zinc/61/74/14/1066617414.db2.gz NDUVPWAQDHEEBF-UHFFFAOYSA-N 0 0 494.587 4.791 20 0 JJADRN COc1cccc(C(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)c2cccc(OC)c2)c1 ZINC001361265472 1066617982 /nfs/dbraw/zinc/61/79/82/1066617982.db2.gz AIURVGAOHHYJHW-UHFFFAOYSA-N 0 0 455.436 4.890 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)n1C ZINC001456538629 1066618611 /nfs/dbraw/zinc/61/86/11/1066618611.db2.gz YKXPMWBHJKWNHA-NSHDSACASA-N 0 0 450.283 4.842 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)CC2 ZINC001445794280 1066618841 /nfs/dbraw/zinc/61/88/41/1066618841.db2.gz IHFPZIFFZPINFV-LDADJPATSA-N 0 0 453.432 4.669 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cc2)n1 ZINC001445793035 1066618853 /nfs/dbraw/zinc/61/88/53/1066618853.db2.gz WELPDRWULPKXMC-UHFFFAOYSA-N 0 0 452.927 4.542 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC2CCOCC2)cn1 ZINC001361267021 1066619346 /nfs/dbraw/zinc/61/93/46/1066619346.db2.gz JHDAHYHAWIKQEK-IBGZPJMESA-N 0 0 453.562 4.562 20 0 JJADRN Cc1cc(OCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1Br ZINC001456540294 1066619417 /nfs/dbraw/zinc/61/94/17/1066619417.db2.gz HDQUGVPNCGVUCN-UHFFFAOYSA-N 0 0 450.760 4.911 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1OC ZINC001361267390 1066619895 /nfs/dbraw/zinc/61/98/95/1066619895.db2.gz KLWDQGPXEUWELS-MZNJEOGPSA-N 0 0 453.560 4.565 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC001456540384 1066619883 /nfs/dbraw/zinc/61/98/83/1066619883.db2.gz AUZYVTWCPWAPGF-QHCPKHFHSA-N 0 0 450.922 4.557 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001456540594 1066620034 /nfs/dbraw/zinc/62/00/34/1066620034.db2.gz VCDLOFYTUDOKHH-UHFFFAOYSA-N 0 0 459.140 4.936 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCOCC(C)C)CCO1 ZINC001546083191 1066620786 /nfs/dbraw/zinc/62/07/86/1066620786.db2.gz KBSRRUNYUJLEAM-JOCHJYFZSA-N 0 0 465.436 4.776 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)s1 ZINC001456541505 1066620833 /nfs/dbraw/zinc/62/08/33/1066620833.db2.gz HJBGPWGTTUGRCS-OAHLLOKOSA-N 0 0 451.621 4.764 20 0 JJADRN COc1cc(/C=C(/C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc2)ccc1O ZINC001445800978 1066620815 /nfs/dbraw/zinc/62/08/15/1066620815.db2.gz JWUJRLRWNOFZDB-OOIVEFLKSA-N 0 0 457.448 4.810 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1F ZINC001361268320 1066621243 /nfs/dbraw/zinc/62/12/43/1066621243.db2.gz JSWUJSYWPXDVEC-GOSISDBHSA-N 0 0 467.536 4.553 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](C)[C@H](O)c3c(F)cccc3Cl)cc2)c1 ZINC001445804173 1066621251 /nfs/dbraw/zinc/62/12/51/1066621251.db2.gz OPHULJKFHDGIDK-HJPURHCSSA-N 0 0 454.929 4.569 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492598302 1066621380 /nfs/dbraw/zinc/62/13/80/1066621380.db2.gz MBIIJMJJSDKLQK-HSALFYBXSA-N 0 0 455.553 4.767 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3sc(-c4ccc(C)c(C(F)(F)F)c4)nc3C)[C@@H]2C1 ZINC001456545799 1066621312 /nfs/dbraw/zinc/62/13/12/1066621312.db2.gz BECLJHODZLHECK-ANQUJSFKSA-N 0 0 452.498 4.763 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445807284 1066621317 /nfs/dbraw/zinc/62/13/17/1066621317.db2.gz DTXRJBZYHNXTPK-GJYBPBHTSA-N 0 0 457.398 4.591 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C(C)(C)C)C2)c(C)c1 ZINC001361268796 1066621759 /nfs/dbraw/zinc/62/17/59/1066621759.db2.gz QBTHPRVFKRBEQB-NRFANRHFSA-N 0 0 486.458 4.963 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC001361268655 1066621861 /nfs/dbraw/zinc/62/18/61/1066621861.db2.gz OBACJXMTTYXHKG-OAHLLOKOSA-N 0 0 474.378 4.602 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001361268554 1066621925 /nfs/dbraw/zinc/62/19/25/1066621925.db2.gz UJNOJTPMQGEVLX-INIZCTEOSA-N 0 0 483.535 4.660 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001361269045 1066622602 /nfs/dbraw/zinc/62/26/02/1066622602.db2.gz ZZRGAJUFQQNYCJ-UFYCRDLUSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC(F)(F)F)CC2)cn1 ZINC001361269109 1066622871 /nfs/dbraw/zinc/62/28/71/1066622871.db2.gz XVJUXJZWQNHJOF-UHFFFAOYSA-N 0 0 483.336 4.956 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC001361269471 1066622884 /nfs/dbraw/zinc/62/28/84/1066622884.db2.gz BXYYPZSDNUUHTM-FQEVSTJZSA-N 0 0 451.542 4.910 20 0 JJADRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001456550294 1066623001 /nfs/dbraw/zinc/62/30/01/1066623001.db2.gz HGGVHWLIBITPHF-NHCUHLMSSA-N 0 0 456.048 4.870 20 0 JJADRN C[C@@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445818742 1066623142 /nfs/dbraw/zinc/62/31/42/1066623142.db2.gz ZDNLKZWBLSBCQL-JLTOFOAXSA-N 0 0 451.394 4.963 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N(Cc1ccccc1)C1CC1)C2 ZINC001456553911 1066623803 /nfs/dbraw/zinc/62/38/03/1066623803.db2.gz PDTRDQRLRLWGSM-NRFANRHFSA-N 0 0 452.551 4.561 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC001445824456 1066623898 /nfs/dbraw/zinc/62/38/98/1066623898.db2.gz PKXIYAHYJVSKNA-QGZVFWFLSA-N 0 0 458.578 4.622 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445827392 1066624293 /nfs/dbraw/zinc/62/42/93/1066624293.db2.gz SCTBFWARGIYQPD-MOPGFXCFSA-N 0 0 455.640 4.660 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC001445831641 1066624344 /nfs/dbraw/zinc/62/43/44/1066624344.db2.gz WNULJFVEVDYMLH-MRXNPFEDSA-N 0 0 450.530 4.932 20 0 JJADRN O=C(CNC(=O)Nc1ccccc1)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001456554636 1066624387 /nfs/dbraw/zinc/62/43/87/1066624387.db2.gz UTIHBNHWCMGTFS-UHFFFAOYSA-N 0 0 453.926 4.948 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1 ZINC001456557716 1066624435 /nfs/dbraw/zinc/62/44/35/1066624435.db2.gz VZKNSJNLXACPFJ-UHFFFAOYSA-N 0 0 454.506 4.678 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cnn(-c3ccccc3C)c2)c1C ZINC001456554457 1066624458 /nfs/dbraw/zinc/62/44/58/1066624458.db2.gz FZKXOWWKAUOKEF-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC001445837624 1066624837 /nfs/dbraw/zinc/62/48/37/1066624837.db2.gz AAGKHANIHYDLGU-UHFFFAOYSA-N 0 0 452.923 4.730 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)CSCc2ccncc2)c1 ZINC001445837836 1066624914 /nfs/dbraw/zinc/62/49/14/1066624914.db2.gz AIMFFBLXGCUNDJ-UHFFFAOYSA-N 0 0 459.980 4.940 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC001445835619 1066625000 /nfs/dbraw/zinc/62/50/00/1066625000.db2.gz SIWVRRBUFJKKDO-HKUYNNGSSA-N 0 0 454.394 4.661 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC001361271707 1066625021 /nfs/dbraw/zinc/62/50/21/1066625021.db2.gz YZBWXWPOFCWBDB-FQEVSTJZSA-N 0 0 450.604 4.998 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC001445834914 1066625088 /nfs/dbraw/zinc/62/50/88/1066625088.db2.gz RLLBTXDXPJAUMV-LBPRGKRZSA-N 0 0 453.149 4.625 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)CC2CC(F)(F)C2)c(=O)n1C ZINC001361271979 1066625488 /nfs/dbraw/zinc/62/54/88/1066625488.db2.gz HGWOBXHELVTFKI-UHFFFAOYSA-N 0 0 499.606 4.907 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC001361271916 1066625504 /nfs/dbraw/zinc/62/55/04/1066625504.db2.gz FPJRDFDXPYNMQE-UHFFFAOYSA-N 0 0 489.045 4.905 20 0 JJADRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001456561985 1066625608 /nfs/dbraw/zinc/62/56/08/1066625608.db2.gz OSLHIADCYULVBU-UHFFFAOYSA-N 0 0 456.237 4.912 20 0 JJADRN CC(C)(C(=O)N1CCN(c2cccs2)CC1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001445847144 1066625618 /nfs/dbraw/zinc/62/56/18/1066625618.db2.gz RFQZGMGYZICOHZ-DEOSSOPVSA-N 0 0 450.604 4.736 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(C)nc1 ZINC001361272220 1066626259 /nfs/dbraw/zinc/62/62/59/1066626259.db2.gz KRYDGPZPILJQQK-UHFFFAOYSA-N 0 0 467.371 4.701 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cn1 ZINC001361272146 1066626266 /nfs/dbraw/zinc/62/62/66/1066626266.db2.gz IOVRAOYVNJTAHR-IBGZPJMESA-N 0 0 485.007 4.620 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001361272186 1066626311 /nfs/dbraw/zinc/62/63/11/1066626311.db2.gz JXZFGUYLPVYUGV-QFIPXVFZSA-N 0 0 462.598 4.533 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456564352 1066626486 /nfs/dbraw/zinc/62/64/86/1066626486.db2.gz HKJRHIOOIKKATJ-HXOBKFHXSA-N 0 0 457.979 4.820 20 0 JJADRN C[C@@H](OCc1ccncc1)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456564138 1066626494 /nfs/dbraw/zinc/62/64/94/1066626494.db2.gz IWQHXDQDBVFXII-OAHLLOKOSA-N 0 0 454.324 4.640 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456564358 1066626513 /nfs/dbraw/zinc/62/65/13/1066626513.db2.gz HKJRHIOOIKKATJ-SBUREZEXSA-N 0 0 457.979 4.820 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c(=O)n1C ZINC001361272389 1066626776 /nfs/dbraw/zinc/62/67/76/1066626776.db2.gz GKNIAWPHJYKZHD-PBHICJAKSA-N 0 0 490.471 4.839 20 0 JJADRN O=C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc2c(s1)CCCC2 ZINC001456566206 1066626874 /nfs/dbraw/zinc/62/68/74/1066626874.db2.gz QUAZQRFNTLXMJS-UHFFFAOYSA-N 0 0 451.445 4.583 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)CSCC(=O)c2ccccc2)c1C ZINC001456566160 1066626950 /nfs/dbraw/zinc/62/69/50/1066626950.db2.gz WGQTZOGKGIGAAP-UHFFFAOYSA-N 0 0 458.381 4.806 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)C2 ZINC001445858954 1066626939 /nfs/dbraw/zinc/62/69/39/1066626939.db2.gz APLKGGFRJHFHTP-RPWUZVMVSA-N 0 0 455.476 4.944 20 0 JJADRN COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)N2CC3(CCC3)C2)cc1OC ZINC001445857510 1066627130 /nfs/dbraw/zinc/62/71/30/1066627130.db2.gz UGTVTOPNMLUBRY-WOJGMQOQSA-N 0 0 459.489 4.867 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H](c2ccsc2)O1 ZINC001445860980 1066627869 /nfs/dbraw/zinc/62/78/69/1066627869.db2.gz WZMASQNVTMTWGT-KXBFYZLASA-N 0 0 450.398 4.547 20 0 JJADRN C[C@H](C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC001456568135 1066627929 /nfs/dbraw/zinc/62/79/29/1066627929.db2.gz OXOOTNVJQRZCTK-UZUQRXQVSA-N 0 0 450.023 4.675 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1 ZINC001445864458 1066627949 /nfs/dbraw/zinc/62/79/49/1066627949.db2.gz HNUOXRPCEFCQQF-APWZRJJASA-N 0 0 452.356 4.727 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001361272893 1066628127 /nfs/dbraw/zinc/62/81/27/1066628127.db2.gz KOHHFEZFJZSTFK-XRSVIKRQSA-N 0 0 454.489 4.989 20 0 JJADRN CCOc1cc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2Br)ccc1OC ZINC001456568692 1066628329 /nfs/dbraw/zinc/62/83/29/1066628329.db2.gz PBQURKYDFZGBBR-AWEZNQCLSA-N 0 0 454.336 4.512 20 0 JJADRN O=C(Nc1c(F)cccc1F)C1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001445864563 1066628481 /nfs/dbraw/zinc/62/84/81/1066628481.db2.gz OJHNWOIVNNWSGI-CYBMUJFWSA-N 0 0 455.288 4.670 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)COC)CCO1 ZINC001546083397 1066628453 /nfs/dbraw/zinc/62/84/53/1066628453.db2.gz MVVYKRIZHYGRCU-GAJHUEQPSA-N 0 0 451.011 4.749 20 0 JJADRN CCOc1cc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)ccc1OC ZINC001456568698 1066628491 /nfs/dbraw/zinc/62/84/91/1066628491.db2.gz PBQURKYDFZGBBR-CQSZACIVSA-N 0 0 454.336 4.512 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cn1 ZINC001361273229 1066628948 /nfs/dbraw/zinc/62/89/48/1066628948.db2.gz XBJLFGJDNYVIMH-FZKQIMNGSA-N 0 0 469.870 4.645 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCO[C@H](C)C2)s1 ZINC001361273147 1066628958 /nfs/dbraw/zinc/62/89/58/1066628958.db2.gz OLRYRLARVYSYAR-CYBMUJFWSA-N 0 0 465.392 4.880 20 0 JJADRN O=C(COC(c1ccccc1)c1ccccc1)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC001445868447 1066629125 /nfs/dbraw/zinc/62/91/25/1066629125.db2.gz MNRSGIBOVLTNKI-FQEVSTJZSA-N 0 0 457.492 4.779 20 0 JJADRN CC[C@H](C)CC[C@@H](O)CC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 ZINC001456571763 1066629194 /nfs/dbraw/zinc/62/91/94/1066629194.db2.gz ZYERTKFJZHCOBD-SCWSEQNSSA-N 0 0 457.396 4.792 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(F)cc(Br)c2)n1 ZINC001361273434 1066629413 /nfs/dbraw/zinc/62/94/13/1066629413.db2.gz QJAXJLNBIMUJFG-UHFFFAOYSA-N 0 0 454.683 4.733 20 0 JJADRN Cc1noc(Cc2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2)n1 ZINC001456573861 1066629541 /nfs/dbraw/zinc/62/95/41/1066629541.db2.gz YWZMXBRRRBAMEU-DEOSSOPVSA-N 0 0 456.502 4.575 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)CCc2ncc(-c3ccccc3)o2)n1 ZINC001361274004 1066630209 /nfs/dbraw/zinc/63/02/09/1066630209.db2.gz ZOHGDDQPFVBZGX-UHFFFAOYSA-N 0 0 452.898 4.805 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)Cc2cncc3ccccc32)n1 ZINC001361273755 1066630268 /nfs/dbraw/zinc/63/02/68/1066630268.db2.gz UIOUGDDLKCVWDW-OAHLLOKOSA-N 0 0 450.926 4.944 20 0 JJADRN COc1cccc(OCCCNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c1 ZINC001456579730 1066630339 /nfs/dbraw/zinc/63/03/39/1066630339.db2.gz HIYJWYUIGCTMQQ-UHFFFAOYSA-N 0 0 450.226 4.815 20 0 JJADRN CC1(Nc2nc(CC(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)cs2)CCCC1 ZINC001445880470 1066630457 /nfs/dbraw/zinc/63/04/57/1066630457.db2.gz MLRGKQIWAXMHQK-UHFFFAOYSA-N 0 0 450.490 4.668 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NCc3cc(F)ccc3N3CCOCC3)cs2)cc1 ZINC001456580864 1066630788 /nfs/dbraw/zinc/63/07/88/1066630788.db2.gz CKKUPKMNOHHUIW-UHFFFAOYSA-N 0 0 455.555 4.505 20 0 JJADRN CCc1ccc(Br)cc1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001456580548 1066630849 /nfs/dbraw/zinc/63/08/49/1066630849.db2.gz ADUJBVGVISBAAJ-UHFFFAOYSA-N 0 0 452.352 4.613 20 0 JJADRN CC[C@H](NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)c1ccc(F)cc1F ZINC001456580571 1066630940 /nfs/dbraw/zinc/63/09/40/1066630940.db2.gz AMHYUMZWIPZESS-DEOSSOPVSA-N 0 0 452.501 4.713 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)C1 ZINC001456581143 1066631021 /nfs/dbraw/zinc/63/10/21/1066631021.db2.gz CCTGKJAYQGSGBU-MHZLTWQESA-N 0 0 450.579 4.694 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2c(C)cc(C)c(Br)c2C)c1 ZINC001361274408 1066631596 /nfs/dbraw/zinc/63/15/96/1066631596.db2.gz JZRUVPXGZAHPPO-UHFFFAOYSA-N 0 0 453.764 4.656 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001361275085 1066632111 /nfs/dbraw/zinc/63/21/11/1066632111.db2.gz NLLYJSKXQOQYQJ-GOSISDBHSA-N 0 0 482.654 4.888 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361275304 1066632118 /nfs/dbraw/zinc/63/21/18/1066632118.db2.gz OXYOSQBKXFKBIG-IRXDYDNUSA-N 0 0 477.556 4.968 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC001456582436 1066632190 /nfs/dbraw/zinc/63/21/90/1066632190.db2.gz GESCICWEENIRBZ-SVBPBHIXSA-N 0 0 456.586 4.542 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361275335 1066632153 /nfs/dbraw/zinc/63/21/53/1066632153.db2.gz PTLZZUIXWUYMLQ-UHFFFAOYSA-N 0 0 486.498 4.879 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2ccccc2C(=O)c2ccc(OC)cc2)C1 ZINC001456582910 1066632289 /nfs/dbraw/zinc/63/22/89/1066632289.db2.gz FQDYVJZRVGTOGO-HHHXNRCGSA-N 0 0 451.563 4.900 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC001445906131 1066633043 /nfs/dbraw/zinc/63/30/43/1066633043.db2.gz BYXRUCFJWZCIAU-UHFFFAOYSA-N 0 0 459.877 4.728 20 0 JJADRN C/C=C/COc1cccc(CC(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2NCC)c1 ZINC001445910191 1066633822 /nfs/dbraw/zinc/63/38/22/1066633822.db2.gz KKELZJDXYGBIIX-HWKANZROSA-N 0 0 456.486 4.548 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C)CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC001361276335 1066634170 /nfs/dbraw/zinc/63/41/70/1066634170.db2.gz CKVVSKYSFKKUMJ-IAGOWNOFSA-N 0 0 460.504 4.658 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1cn(CC)c2ccccc12 ZINC001445912932 1066634496 /nfs/dbraw/zinc/63/44/96/1066634496.db2.gz TVSHAANUNKDLCR-UHFFFAOYSA-N 0 0 453.486 4.568 20 0 JJADRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001361277513 1066634968 /nfs/dbraw/zinc/63/49/68/1066634968.db2.gz YNGXNSOCVWWYHC-UHFFFAOYSA-N 0 0 450.848 4.738 20 0 JJADRN COc1ccc(C(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1-c1ccccc1 ZINC001445916192 1066635054 /nfs/dbraw/zinc/63/50/54/1066635054.db2.gz CQNNGCRBHXVIEC-GOSISDBHSA-N 0 0 459.464 4.842 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916018 1066635061 /nfs/dbraw/zinc/63/50/61/1066635061.db2.gz AJDMBQVMPZAWRP-OXQOHEQNSA-N 0 0 459.892 4.609 20 0 JJADRN CC[C@@H](CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)Cc1cccc(Br)c1 ZINC001456589025 1066635020 /nfs/dbraw/zinc/63/50/20/1066635020.db2.gz QZFIOGSMZORILW-MRXNPFEDSA-N 0 0 456.384 4.739 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccon2)c(OCC(F)(F)F)c1 ZINC001361277780 1066635315 /nfs/dbraw/zinc/63/53/15/1066635315.db2.gz FACTZSFOUFYQSQ-UHFFFAOYSA-N 0 0 472.471 4.571 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929758 1066636189 /nfs/dbraw/zinc/63/61/89/1066636189.db2.gz ZJLQDJKUKZFHEE-OAHLLOKOSA-N 0 0 452.860 4.676 20 0 JJADRN C[C@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001361279903 1066636740 /nfs/dbraw/zinc/63/67/40/1066636740.db2.gz OPLWWBUJZIYUBM-WBTXTPOCSA-N 0 0 457.592 4.530 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C1 ZINC001456596335 1066636683 /nfs/dbraw/zinc/63/66/83/1066636683.db2.gz MWIRMDWKBIWTQC-IBGZPJMESA-N 0 0 452.599 4.653 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C1 ZINC001456596352 1066636716 /nfs/dbraw/zinc/63/67/16/1066636716.db2.gz MWIRMDWKBIWTQC-LJQANCHMSA-N 0 0 452.599 4.653 20 0 JJADRN CC[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545979855 1066636864 /nfs/dbraw/zinc/63/68/64/1066636864.db2.gz JKBZZSBFPHJXII-RBUKOAKNSA-N 0 0 482.629 4.545 20 0 JJADRN CC[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545979854 1066636871 /nfs/dbraw/zinc/63/68/71/1066636871.db2.gz JKBZZSBFPHJXII-OALUTQOASA-N 0 0 482.629 4.545 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C(=O)NCCCOC(C)C)CC2)c(F)c1 ZINC001361280308 1066637408 /nfs/dbraw/zinc/63/74/08/1066637408.db2.gz AYRUHJGTRPOGBX-UHFFFAOYSA-N 0 0 485.648 4.579 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCC2CCOCC2)CCO1 ZINC001546083637 1066638038 /nfs/dbraw/zinc/63/80/38/1066638038.db2.gz QNGCIYHPYKLWHL-JOCHJYFZSA-N 0 0 463.420 4.530 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@H](OC)C1)Oc1ccccc1F ZINC001545979976 1066638184 /nfs/dbraw/zinc/63/81/84/1066638184.db2.gz LTDVNXSRICYTKZ-GEQKSPFYSA-N 0 0 453.562 4.506 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC001445941235 1066638192 /nfs/dbraw/zinc/63/81/92/1066638192.db2.gz VHILFRQWKVCTKL-SFTDATJTSA-N 0 0 457.496 4.850 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCc3cccc(OC)c32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456601250 1066638640 /nfs/dbraw/zinc/63/86/40/1066638640.db2.gz GXTDJKFBRZKPAW-YTFSRNRJSA-N 0 0 450.579 4.763 20 0 JJADRN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456601155 1066638751 /nfs/dbraw/zinc/63/87/51/1066638751.db2.gz HUXYGVVVSDSEKG-AZUAARDMSA-N 0 0 451.567 4.562 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(CCO)Cc2ccc(Br)s2)cc1 ZINC001361281110 1066638700 /nfs/dbraw/zinc/63/87/00/1066638700.db2.gz WOXOJXUFXZXZJF-LJQANCHMSA-N 0 0 491.455 4.699 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC(C)(C)C2)c(C)c1 ZINC001361281173 1066638836 /nfs/dbraw/zinc/63/88/36/1066638836.db2.gz BEAQRVYRJYZSMK-UHFFFAOYSA-N 0 0 483.657 4.673 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CCc2ccc(O)cc2)[C@H]1c1ccc(OC)cc1 ZINC001445949722 1066638863 /nfs/dbraw/zinc/63/88/63/1066638863.db2.gz JPDQYFKNDSMKDR-YZXAJQSBSA-N 0 0 452.595 4.618 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@H](C(F)F)C2)cn1 ZINC001361281577 1066639318 /nfs/dbraw/zinc/63/93/18/1066639318.db2.gz ICDVACWQNNUDGR-FQEVSTJZSA-N 0 0 490.599 4.626 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C(F)F)C2)cn1 ZINC001361281589 1066639369 /nfs/dbraw/zinc/63/93/69/1066639369.db2.gz IGSDAFKJKQBVQW-VQTJNVASSA-N 0 0 490.599 4.626 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2c(F)cc(Br)cc2C1)C(C)(C)C ZINC001445953502 1066639597 /nfs/dbraw/zinc/63/95/97/1066639597.db2.gz RLWNNPLGSGNFSI-QGZVFWFLSA-N 0 0 457.384 4.802 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001456604748 1066640066 /nfs/dbraw/zinc/64/00/66/1066640066.db2.gz KTTPFLRVZBLVRL-XLIONFOSSA-N 0 0 457.640 4.979 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001456604745 1066640134 /nfs/dbraw/zinc/64/01/34/1066640134.db2.gz KTTPFLRVZBLVRL-PXNSSMCTSA-N 0 0 457.640 4.979 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361282261 1066640242 /nfs/dbraw/zinc/64/02/42/1066640242.db2.gz QUKBHHDIELZOLS-PKOBYXMFSA-N 0 0 452.521 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001445956670 1066640326 /nfs/dbraw/zinc/64/03/26/1066640326.db2.gz YCPIIOVGSSIOSU-FUHWJXTLSA-N 0 0 455.368 4.556 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1 ZINC001456605292 1066640989 /nfs/dbraw/zinc/64/09/89/1066640989.db2.gz UCPUNTKNRKEYCP-UHFFFAOYSA-N 0 0 450.329 4.585 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccccc1F ZINC001545980124 1066641019 /nfs/dbraw/zinc/64/10/19/1066641019.db2.gz PBSOZUVUJYDTFI-OTWHNJEPSA-N 0 0 455.603 4.975 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCSC[C@H]2C)c(F)c1 ZINC001361283042 1066641405 /nfs/dbraw/zinc/64/14/05/1066641405.db2.gz YXLFBIKTTKJALF-QUCCMNQESA-N 0 0 489.661 4.830 20 0 JJADRN CCC[C@@H](C(=O)N[C@@H](CCO)C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001445978480 1066641513 /nfs/dbraw/zinc/64/15/13/1066641513.db2.gz DALLJRKLJJSPRO-DQEYMECFSA-N 0 0 452.595 4.559 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(C)C)NC(=O)OC(C)(C)C ZINC001545980126 1066641634 /nfs/dbraw/zinc/64/16/34/1066641634.db2.gz PCEAJTOPCUXJPB-LJQANCHMSA-N 0 0 468.602 4.996 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445987330 1066641711 /nfs/dbraw/zinc/64/17/11/1066641711.db2.gz DNKHKIXHAMVLPJ-DNVCBOLYSA-N 0 0 453.421 4.970 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001456609712 1066642244 /nfs/dbraw/zinc/64/22/44/1066642244.db2.gz PZCONNLPZXBBIL-YRNRMSPPSA-N 0 0 456.391 4.586 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC001361284374 1066642329 /nfs/dbraw/zinc/64/23/29/1066642329.db2.gz DVDCTEVVROYTLQ-IBGZPJMESA-N 0 0 482.032 4.522 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)Cc1cccc(Br)c1 ZINC001456610151 1066642316 /nfs/dbraw/zinc/64/23/16/1066642316.db2.gz WJZNGTCWLGMXEK-RNODOKPDSA-N 0 0 451.311 4.605 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OCC(C)(C)F)ccc3C2)c(=O)n1C ZINC001361284913 1066642843 /nfs/dbraw/zinc/64/28/43/1066642843.db2.gz LVGLWGMYUOOSCS-UHFFFAOYSA-N 0 0 495.643 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001456611698 1066642976 /nfs/dbraw/zinc/64/29/76/1066642976.db2.gz WHQCMSIQBGSOGU-KRWDZBQOSA-N 0 0 453.421 4.781 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001456611699 1066643012 /nfs/dbraw/zinc/64/30/12/1066643012.db2.gz WHQCMSIQBGSOGU-QGZVFWFLSA-N 0 0 453.421 4.781 20 0 JJADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)CC2)cc1 ZINC001361285148 1066643694 /nfs/dbraw/zinc/64/36/94/1066643694.db2.gz RKQKTULXEZUDAL-DENIHFKCSA-N 0 0 469.630 4.570 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)s1 ZINC001361284950 1066643817 /nfs/dbraw/zinc/64/38/17/1066643817.db2.gz NCYBVZFIASHBQW-UHFFFAOYSA-N 0 0 457.688 4.904 20 0 JJADRN O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446003188 1066644124 /nfs/dbraw/zinc/64/41/24/1066644124.db2.gz RKNXVQJAAVGXQL-HSZRJFAPSA-N 0 0 457.412 4.819 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)ccc1F ZINC001456614945 1066644137 /nfs/dbraw/zinc/64/41/37/1066644137.db2.gz KAUUHPULGCTCGW-UHFFFAOYSA-N 0 0 454.523 4.983 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC001446012926 1066644985 /nfs/dbraw/zinc/64/49/85/1066644985.db2.gz LGKDFTUMUZROEM-CTNGQTDRSA-N 0 0 457.979 4.798 20 0 JJADRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446005888 1066645054 /nfs/dbraw/zinc/64/50/54/1066645054.db2.gz SETWGNNVPUIFJT-FQEVSTJZSA-N 0 0 454.567 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccccc3-n3cccn3)CC2)CC1 ZINC001456615751 1066645132 /nfs/dbraw/zinc/64/51/32/1066645132.db2.gz DSYAXMNXRURCGB-FQEVSTJZSA-N 0 0 452.599 4.762 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3(c4ccccc4)CCC3)n2CCCOC(F)(F)F)CCO1 ZINC001546083480 1066645597 /nfs/dbraw/zinc/64/55/97/1066645597.db2.gz OACQPGTWEOQCPI-OAQYLSRUSA-N 0 0 452.521 4.680 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(N2CCOCC2)c1 ZINC001361286924 1066645729 /nfs/dbraw/zinc/64/57/29/1066645729.db2.gz ZMJUKUSHEBMTAH-MUUNZHRXSA-N 0 0 483.701 4.701 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3SC)c2)cc1 ZINC001361287118 1066645757 /nfs/dbraw/zinc/64/57/57/1066645757.db2.gz BDHPMTYMLVMOFV-UHFFFAOYSA-N 0 0 456.589 4.519 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)nc2)c1 ZINC001456618700 1066646253 /nfs/dbraw/zinc/64/62/53/1066646253.db2.gz VUEXKWDOCLLEAQ-UHFFFAOYSA-N 0 0 457.527 4.651 20 0 JJADRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC001446018866 1066646425 /nfs/dbraw/zinc/64/64/25/1066646425.db2.gz SXNSQHHTWIVRLF-RBBKRZOGSA-N 0 0 457.979 4.945 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCCc2csc(-c3ccccc3)n2)CC1 ZINC001446016367 1066646437 /nfs/dbraw/zinc/64/64/37/1066646437.db2.gz JSUXZWFWPLLHIA-UHFFFAOYSA-N 0 0 457.393 4.972 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001456619354 1066646962 /nfs/dbraw/zinc/64/69/62/1066646962.db2.gz QJAOEADXIUULCX-ZDUSSCGKSA-N 0 0 456.494 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)CC1 ZINC001456620012 1066647066 /nfs/dbraw/zinc/64/70/66/1066647066.db2.gz OASZCAGNIFTGQS-RDPSFJRHSA-N 0 0 456.627 4.966 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001446023932 1066647304 /nfs/dbraw/zinc/64/73/04/1066647304.db2.gz QPEYRRJWCQPVQG-GQRCBVMOSA-N 0 0 452.620 4.959 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492598467 1066647259 /nfs/dbraw/zinc/64/72/59/1066647259.db2.gz NISMWEPKFJWELP-ICSRJNTNSA-N 0 0 481.666 4.918 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546083496 1066647737 /nfs/dbraw/zinc/64/77/37/1066647737.db2.gz OIRJSGPJPZWEDF-MZNJEOGPSA-N 0 0 471.989 4.529 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C ZINC001492598546 1066647691 /nfs/dbraw/zinc/64/76/91/1066647691.db2.gz NXUKJLNHIZIOCK-GOSISDBHSA-N 0 0 455.628 4.528 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccnc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492598612 1066647764 /nfs/dbraw/zinc/64/77/64/1066647764.db2.gz MZJPZXPTRMJGHX-NRFANRHFSA-N 0 0 494.640 4.809 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001492598816 1066648600 /nfs/dbraw/zinc/64/86/00/1066648600.db2.gz PTPKRWGIABNQPU-FKBYEOEOSA-N 0 0 499.656 4.741 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)c1cccc(Br)c1 ZINC001456626316 1066649006 /nfs/dbraw/zinc/64/90/06/1066649006.db2.gz HVPPSNAFWUKMND-FQEVSTJZSA-N 0 0 455.356 4.730 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 ZINC001492598884 1066649168 /nfs/dbraw/zinc/64/91/68/1066649168.db2.gz QUIJFCHBQJVSPU-SGKWCMOWSA-N 0 0 470.658 4.834 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N(C)Cc2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598901 1066649222 /nfs/dbraw/zinc/64/92/22/1066649222.db2.gz RGJAHGPFVHUSEM-CJFMBICVSA-N 0 0 470.639 4.793 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccsc1)NC(=O)OC(C)(C)C ZINC001545980508 1066649140 /nfs/dbraw/zinc/64/91/40/1066649140.db2.gz VQOWMTUNJWMQGJ-SFHVURJKSA-N 0 0 456.616 4.650 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)CC1=O ZINC001446036467 1066649261 /nfs/dbraw/zinc/64/92/61/1066649261.db2.gz UCBRVVKRECHNRZ-DHLKQENFSA-N 0 0 458.558 4.661 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)c2C)cc1 ZINC001446036489 1066649267 /nfs/dbraw/zinc/64/92/67/1066649267.db2.gz UMPISZDPGRRDJH-RUZDIDTESA-N 0 0 456.546 4.562 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C ZINC001492599079 1066649714 /nfs/dbraw/zinc/64/97/14/1066649714.db2.gz UASLZVPIPUMPFG-UHFFFAOYSA-N 0 0 462.985 4.959 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1)n1nnc(-c2ccccc2)n1 ZINC001446037461 1066649814 /nfs/dbraw/zinc/64/98/14/1066649814.db2.gz VZYTYYJILPWHJI-LOSJGSFVSA-N 0 0 455.562 4.842 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1 ZINC001446039847 1066649897 /nfs/dbraw/zinc/64/98/97/1066649897.db2.gz YKDPQDNHPVYBRC-RUZDIDTESA-N 0 0 451.588 4.718 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc(OC)c1 ZINC001446037317 1066649923 /nfs/dbraw/zinc/64/99/23/1066649923.db2.gz LZSRUACQSVWXPH-QGZVFWFLSA-N 0 0 457.929 4.744 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1)n1nnc(-c2ccccc2)n1 ZINC001446037454 1066650009 /nfs/dbraw/zinc/65/00/09/1066650009.db2.gz VZYTYYJILPWHJI-DQEYMECFSA-N 0 0 455.562 4.842 20 0 JJADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001456627968 1066650231 /nfs/dbraw/zinc/65/02/31/1066650231.db2.gz TYMIGDAJJSFYCB-IZQLPPHKSA-N 0 0 450.947 4.786 20 0 JJADRN CN1CC[C@@H](C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21 ZINC001456628494 1066650266 /nfs/dbraw/zinc/65/02/66/1066650266.db2.gz YQCFRBLSSZQFPO-NFBKMPQASA-N 0 0 455.643 4.886 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001492599562 1066650498 /nfs/dbraw/zinc/65/04/98/1066650498.db2.gz YLYBBLKEZQBOOT-NHCUHLMSSA-N 0 0 468.671 4.592 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC2(OC)CCC2)CCO1 ZINC001546083769 1066650712 /nfs/dbraw/zinc/65/07/12/1066650712.db2.gz SOOQPHNVPUZORJ-PXDATVDWSA-N 0 0 456.631 4.999 20 0 JJADRN CN1CC[C@H](C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21 ZINC001456628507 1066650841 /nfs/dbraw/zinc/65/08/41/1066650841.db2.gz YQCFRBLSSZQFPO-REWPJTCUSA-N 0 0 455.643 4.886 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492599696 1066651230 /nfs/dbraw/zinc/65/12/30/1066651230.db2.gz AKIAIELRXNGAKO-OAQYLSRUSA-N 0 0 494.640 4.507 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC001456629879 1066651488 /nfs/dbraw/zinc/65/14/88/1066651488.db2.gz PKWINWMJZAPEFD-RTBURBONSA-N 0 0 454.615 4.711 20 0 JJADRN COC(=O)N(C)CCCC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001456631087 1066651510 /nfs/dbraw/zinc/65/15/10/1066651510.db2.gz IIMSJPXXOHTWBP-LBPRGKRZSA-N 0 0 454.390 4.537 20 0 JJADRN Cc1ccccc1OCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492599868 1066651964 /nfs/dbraw/zinc/65/19/64/1066651964.db2.gz DBFHFPMSWWYIQL-HXUWFJFHSA-N 0 0 459.516 4.820 20 0 JJADRN C[C@H](CC(=O)NCCc1ccccc1OC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446050299 1066652067 /nfs/dbraw/zinc/65/20/67/1066652067.db2.gz LFHZZQJADRXSDO-SJLPKXTDSA-N 0 0 458.521 4.917 20 0 JJADRN CC(C)(C(=O)NCCOc1ccc(Cl)cn1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001446052508 1066652695 /nfs/dbraw/zinc/65/26/95/1066652695.db2.gz ODDZIUZBGYOLJT-QHCPKHFHSA-N 0 0 454.954 4.569 20 0 JJADRN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 ZINC001456634062 1066652888 /nfs/dbraw/zinc/65/28/88/1066652888.db2.gz NGKRQIDRHNZPEH-MRXNPFEDSA-N 0 0 458.967 4.680 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492600643 1066653782 /nfs/dbraw/zinc/65/37/82/1066653782.db2.gz PAIUWDSHPDRRPW-AJTFRIOCSA-N 0 0 470.658 4.969 20 0 JJADRN CCOc1cccc(CNC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1OC(F)F ZINC001446061112 1066653798 /nfs/dbraw/zinc/65/37/98/1066653798.db2.gz LTPHANSSJKIQEH-PCUGXKRQSA-N 0 0 454.514 4.506 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001492600510 1066653848 /nfs/dbraw/zinc/65/38/48/1066653848.db2.gz NPFWFELRKKJQOK-HMXCVIKNSA-N 0 0 496.574 4.742 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C ZINC001492600749 1066654462 /nfs/dbraw/zinc/65/44/62/1066654462.db2.gz REASHODMVFYKAX-UHFFFAOYSA-N 0 0 467.658 4.582 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)ccc1OCCO ZINC001446068328 1066654665 /nfs/dbraw/zinc/65/46/65/1066654665.db2.gz KGDIGLWUKRYNJW-MRXNPFEDSA-N 0 0 457.958 4.520 20 0 JJADRN CS[C@@H](CO)[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001446070698 1066654761 /nfs/dbraw/zinc/65/47/61/1066654761.db2.gz CQHZGMWQWPXWPE-SBUREZEXSA-N 0 0 450.560 4.573 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC001446066934 1066654787 /nfs/dbraw/zinc/65/47/87/1066654787.db2.gz HXJGMFVDXUBLSO-UHFFFAOYSA-N 0 0 450.944 4.791 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001492601164 1066655153 /nfs/dbraw/zinc/65/51/53/1066655153.db2.gz YSAAWQOXWWGLOX-RBUKOAKNSA-N 0 0 455.990 4.632 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001492601251 1066655761 /nfs/dbraw/zinc/65/57/61/1066655761.db2.gz ZQOAGYXVQHKKHE-UHFFFAOYSA-N 0 0 467.658 4.582 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492601259 1066655864 /nfs/dbraw/zinc/65/58/64/1066655864.db2.gz ZUIXHZRRGCIBQQ-WNCULLNHSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492601260 1066655870 /nfs/dbraw/zinc/65/58/70/1066655870.db2.gz ZUIXHZRRGCIBQQ-YIXXDRMTSA-N 0 0 470.658 4.969 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001446081754 1066656710 /nfs/dbraw/zinc/65/67/10/1066656710.db2.gz WKFKYWHWQSZPMY-RUZDIDTESA-N 0 0 450.922 4.765 20 0 JJADRN CCOc1cccc(CNC(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)c1OC(F)F ZINC001446078865 1066656871 /nfs/dbraw/zinc/65/68/71/1066656871.db2.gz WFFYSHKGHMKKOO-UHFFFAOYSA-N 0 0 454.514 4.625 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2nc(NCc3ccco3)ncc2Cl)cc1F ZINC001456647400 1066657395 /nfs/dbraw/zinc/65/73/95/1066657395.db2.gz IVHPKLSYYOMKFC-UHFFFAOYSA-N 0 0 456.861 4.923 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC001446085648 1066657490 /nfs/dbraw/zinc/65/74/90/1066657490.db2.gz BCOJHUDXOGZKOH-UHFFFAOYSA-N 0 0 457.546 4.875 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001446086636 1066657503 /nfs/dbraw/zinc/65/75/03/1066657503.db2.gz LZSNCNUGVRSNMR-HNNXBMFYSA-N 0 0 451.394 4.931 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)n1 ZINC001446086591 1066657516 /nfs/dbraw/zinc/65/75/16/1066657516.db2.gz LPMNONLQUJXULY-HXUWFJFHSA-N 0 0 453.564 4.866 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001492602152 1066657677 /nfs/dbraw/zinc/65/76/77/1066657677.db2.gz OHYIGJHSEITDIN-GJZUVCINSA-N 0 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Cc1ccc(I)c(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC001456652871 1066659396 /nfs/dbraw/zinc/65/93/96/1066659396.db2.gz XNDKUPGAUNXRIQ-HNNXBMFYSA-N 0 0 452.336 4.738 20 0 JJADRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001446095988 1066659388 /nfs/dbraw/zinc/65/93/88/1066659388.db2.gz KQFHVCRFIGZNKC-VCHYOVAHSA-N 0 0 456.453 4.761 20 0 JJADRN COc1cc(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001446097989 1066659514 /nfs/dbraw/zinc/65/95/14/1066659514.db2.gz JIJTXTFLHJZKGC-FQEVSTJZSA-N 0 0 456.970 4.591 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C/C=C/c3ccc(Br)cc3)C2)c1 ZINC001446097672 1066659531 /nfs/dbraw/zinc/65/95/31/1066659531.db2.gz HCJNBIMLTQGXJZ-WHLIDYPQSA-N 0 0 459.384 4.512 20 0 JJADRN Cc1ccccc1[C@H]1C[C@H](n2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001492603286 1066659576 /nfs/dbraw/zinc/65/95/76/1066659576.db2.gz HLDWJLZEDRWIJL-QVHJCDIPSA-N 0 0 467.658 4.585 20 0 JJADRN Cc1sc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)nc1-c1ccc(Br)cc1 ZINC001446103602 1066659986 /nfs/dbraw/zinc/65/99/86/1066659986.db2.gz WAQUJIARWYLJGP-LBPRGKRZSA-N 0 0 450.402 4.905 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001446099034 1066660012 /nfs/dbraw/zinc/66/00/12/1066660012.db2.gz RTPBNXDDRAHAOI-UHFFFAOYSA-N 0 0 458.152 4.546 20 0 JJADRN Cc1ccccc1[C@H]1C[C@H](n2c(C(C)C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001492603863 1066660010 /nfs/dbraw/zinc/66/00/10/1066660010.db2.gz YPHUGGAWWLNZGS-NJDAHSKKSA-N 0 0 469.630 4.559 20 0 JJADRN Cc1cccnc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492603559 1066660142 /nfs/dbraw/zinc/66/01/42/1066660142.db2.gz QOVJCWKWEMHTCQ-MSOLQXFVSA-N 0 0 493.505 4.857 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC001446102833 1066660214 /nfs/dbraw/zinc/66/02/14/1066660214.db2.gz QFTNLVYOZWDFMJ-UHFFFAOYSA-N 0 0 457.522 4.935 20 0 JJADRN Cc1oc(Br)cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001456657756 1066660830 /nfs/dbraw/zinc/66/08/30/1066660830.db2.gz UMHLIQOXSKFNGB-UHFFFAOYSA-N 0 0 455.374 4.556 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@]3(NC(=O)OC(C)(C)C)C[C@H](OCC)C3(C)C)cc21 ZINC001446106181 1066660812 /nfs/dbraw/zinc/66/08/12/1066660812.db2.gz GFXIRUYMXPBNFN-HFZDXXHNSA-N 0 0 459.631 4.886 20 0 JJADRN Cc1ccccc1OCCn1c(Cc2ccsc2)nnc1N1CCC=C(Br)C1 ZINC001492604260 1066660905 /nfs/dbraw/zinc/66/09/05/1066660905.db2.gz MBNBEQHVDMSPTL-UHFFFAOYSA-N 0 0 459.413 4.807 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCCc4cc(Cl)cc(C)c43)n2)CCCCCC1 ZINC001456658367 1066661158 /nfs/dbraw/zinc/66/11/58/1066661158.db2.gz GORIOXHLTSLJCZ-UHFFFAOYSA-N 0 0 458.990 4.629 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cc(OCc4ccccc4)cs3)C2)c1 ZINC001446108311 1066661247 /nfs/dbraw/zinc/66/12/47/1066661247.db2.gz TXGSGCWFPBEHSB-LJQANCHMSA-N 0 0 452.576 4.601 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001492604744 1066661248 /nfs/dbraw/zinc/66/12/48/1066661248.db2.gz CSOGOFIGOUKRJI-SFHVURJKSA-N 0 0 485.007 4.620 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001446109592 1066661352 /nfs/dbraw/zinc/66/13/52/1066661352.db2.gz YZZXYONALFQHMV-UHFFFAOYSA-N 0 0 459.509 4.618 20 0 JJADRN CCCc1c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)nnn1-c1cccc(C(C)C)c1 ZINC001456660250 1066661869 /nfs/dbraw/zinc/66/18/69/1066661869.db2.gz PVUPHHCGSUANML-RTWAWAEBSA-N 0 0 481.641 4.672 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC001456660808 1066662001 /nfs/dbraw/zinc/66/20/01/1066662001.db2.gz FAFJDCGPWUIVEZ-UHFFFAOYSA-N 0 0 458.605 4.656 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001446112377 1066662028 /nfs/dbraw/zinc/66/20/28/1066662028.db2.gz KWAGXWIBYQYABY-IEBWSBKVSA-N 0 0 456.587 4.550 20 0 JJADRN Cc1ccccc1OCCn1c(CC2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492604568 1066662479 /nfs/dbraw/zinc/66/24/79/1066662479.db2.gz WYIXOJXGTATSRZ-IRLDBZIGSA-N 0 0 483.657 4.748 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F ZINC001492605298 1066662488 /nfs/dbraw/zinc/66/24/88/1066662488.db2.gz XQYXQIWSLRUXTK-UHFFFAOYSA-N 0 0 469.362 4.605 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492605209 1066662513 /nfs/dbraw/zinc/66/25/13/1066662513.db2.gz TZZIWQBTGFZHJV-VQTJNVASSA-N 0 0 494.615 4.966 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001446129110 1066662609 /nfs/dbraw/zinc/66/26/09/1066662609.db2.gz UHXZWMGUGYTNAN-UHFFFAOYSA-N 0 0 453.967 4.728 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NCc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC001446112932 1066662698 /nfs/dbraw/zinc/66/26/98/1066662698.db2.gz WQIWGJFMXBEHAZ-ODLFYWEKSA-N 0 0 453.441 4.882 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCCO)CC1 ZINC001492605182 1066663197 /nfs/dbraw/zinc/66/31/97/1066663197.db2.gz SRQIOJFAVIBPQY-UHFFFAOYSA-N 0 0 460.409 4.993 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H](CO)CC(C)(C)C ZINC001545981316 1066663467 /nfs/dbraw/zinc/66/34/67/1066663467.db2.gz PGTBSYKAIWXXDV-GDBMZVCRSA-N 0 0 459.637 4.599 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H](CO)CC(C)(C)C ZINC001545981319 1066663483 /nfs/dbraw/zinc/66/34/83/1066663483.db2.gz PGTBSYKAIWXXDV-ZBFHGGJFSA-N 0 0 459.637 4.599 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(F)cc2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492606425 1066663692 /nfs/dbraw/zinc/66/36/92/1066663692.db2.gz GBUZBLLRPAKHLG-UHFFFAOYSA-N 0 0 463.479 4.917 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC001446139205 1066663973 /nfs/dbraw/zinc/66/39/73/1066663973.db2.gz FLPCYJQYHFIAGE-AWEZNQCLSA-N 0 0 453.313 4.904 20 0 JJADRN CCN(CC(=O)Nc1ccc(OCCOC)c(Br)c1)Cc1ccccc1Cl ZINC001456674907 1066664464 /nfs/dbraw/zinc/66/44/64/1066664464.db2.gz YCYNAAFASLNLMD-UHFFFAOYSA-N 0 0 455.780 4.588 20 0 JJADRN CC(C)[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1cnn(C)c1 ZINC001456674159 1066664480 /nfs/dbraw/zinc/66/44/80/1066664480.db2.gz URKDPTSXXBGVNR-XMMPIXPASA-N 0 0 451.958 4.516 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001492606755 1066664528 /nfs/dbraw/zinc/66/45/28/1066664528.db2.gz RCYCWZCMSWXEOL-UHFFFAOYSA-N 0 0 462.381 4.531 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncccc1C ZINC001492606590 1066664536 /nfs/dbraw/zinc/66/45/36/1066664536.db2.gz LVUZEUUPZFKXHW-UHFFFAOYSA-N 0 0 482.057 4.962 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N(c1cccc(F)c1)C1CCOCC1 ZINC001456675602 1066665022 /nfs/dbraw/zinc/66/50/22/1066665022.db2.gz VAEIWVKCMVIHHI-UHFFFAOYSA-N 0 0 458.125 4.572 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC(F)F ZINC001456675985 1066665041 /nfs/dbraw/zinc/66/50/41/1066665041.db2.gz WSXRLVWHYCPQNL-HUUCEWRRSA-N 0 0 452.523 4.515 20 0 JJADRN Cc1noc(C)c1[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001456683053 1066665073 /nfs/dbraw/zinc/66/50/73/1066665073.db2.gz DJZFWPBGNKFTAB-GFCCVEGCSA-N 0 0 457.943 4.755 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001492607037 1066664993 /nfs/dbraw/zinc/66/49/93/1066664993.db2.gz BMXKHVNZYVVTJT-OAQYLSRUSA-N 0 0 498.672 4.800 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492606824 1066665038 /nfs/dbraw/zinc/66/50/38/1066665038.db2.gz UTCAPURZSBQMBH-WMZOPIPTSA-N 0 0 470.415 4.996 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncccc1C ZINC001492606794 1066665116 /nfs/dbraw/zinc/66/51/16/1066665116.db2.gz SXDGERNMAJONJR-UHFFFAOYSA-N 0 0 482.382 4.909 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCOC4(CCCCC4)C3)c2)cc1 ZINC001446144347 1066666022 /nfs/dbraw/zinc/66/60/22/1066666022.db2.gz QNSMVSNOGZWWDL-NRFANRHFSA-N 0 0 456.608 4.716 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1cc(C(=O)c2ccccc2)c[nH]1)C1CCCCCC1 ZINC001446145041 1066666036 /nfs/dbraw/zinc/66/60/36/1066666036.db2.gz SHFWZSDVUQTEAZ-UHFFFAOYSA-N 0 0 453.583 4.935 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccccc4C)n3CCCOCC(F)F)CC2)c1 ZINC001492607414 1066666350 /nfs/dbraw/zinc/66/63/50/1066666350.db2.gz PCWMWJGJPXJOOU-UHFFFAOYSA-N 0 0 471.552 4.677 20 0 JJADRN CN(CCC(=O)OC(C)(C)C)C(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001446148519 1066666410 /nfs/dbraw/zinc/66/64/10/1066666410.db2.gz LNMUQIBEZNZZBB-UHFFFAOYSA-N 0 0 453.308 4.579 20 0 JJADRN Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)c1 ZINC001446149309 1066666593 /nfs/dbraw/zinc/66/65/93/1066666593.db2.gz HLIYEBXNBFKKAO-UHFFFAOYSA-N 0 0 455.769 4.627 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c2ccc(Cl)cc21 ZINC001456685507 1066666532 /nfs/dbraw/zinc/66/65/32/1066666532.db2.gz AHYJJLYHFHXBEW-INIZCTEOSA-N 0 0 457.958 4.909 20 0 JJADRN O=C(N1CCC[C@](O)(c2ccc(Br)cc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC001456688280 1066667422 /nfs/dbraw/zinc/66/74/22/1066667422.db2.gz BYEYJJRJQNSKNI-JOCHJYFZSA-N 0 0 450.323 4.659 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC001446159105 1066667563 /nfs/dbraw/zinc/66/75/63/1066667563.db2.gz RKCZGUAACUDYQM-UHFFFAOYSA-N 0 0 452.620 4.725 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)CCC(C)C)CC2)c1 ZINC001492607791 1066667700 /nfs/dbraw/zinc/66/77/00/1066667700.db2.gz ZTYQLGXGRISALM-SANMLTNESA-N 0 0 499.059 4.932 20 0 JJADRN Cc1cccnc1Cn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492607329 1066667857 /nfs/dbraw/zinc/66/78/57/1066667857.db2.gz MFPFNLFVHDKTRI-DEOSSOPVSA-N 0 0 489.542 4.726 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)N[C@H](Cn1cccn1)c1ccccc1 ZINC001456691113 1066668046 /nfs/dbraw/zinc/66/80/46/1066668046.db2.gz KLNJMBWQCXIQTM-HXUWFJFHSA-N 0 0 450.336 4.735 20 0 JJADRN O=C(c1cccc(OCC(F)(F)F)c1)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001456692803 1066668148 /nfs/dbraw/zinc/66/81/48/1066668148.db2.gz FXQXXXCXWRMBLA-LJQANCHMSA-N 0 0 458.274 4.514 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001545981927 1066668296 /nfs/dbraw/zinc/66/82/96/1066668296.db2.gz DGVOUNRCKYKQRV-PMACEKPBSA-N 0 0 485.629 4.818 20 0 JJADRN CC(C)C[C@@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001456695891 1066668650 /nfs/dbraw/zinc/66/86/50/1066668650.db2.gz AZUBJDMHFIPZJC-HSZRJFAPSA-N 0 0 452.576 4.724 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC(OCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982166 1066668882 /nfs/dbraw/zinc/66/88/82/1066668882.db2.gz IASLHNHRPYPNAS-OAQYLSRUSA-N 0 0 469.630 4.644 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC001446171155 1066668896 /nfs/dbraw/zinc/66/88/96/1066668896.db2.gz WKZBYBJAOVCSPM-MOPGFXCFSA-N 0 0 452.661 4.860 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)s1 ZINC001456699045 1066669341 /nfs/dbraw/zinc/66/93/41/1066669341.db2.gz BDKVTAWIONKTFK-VQIMIIECSA-N 0 0 456.612 4.510 20 0 JJADRN CCCN(C(=O)c1ccc(OCC(=O)OC)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456697223 1066669491 /nfs/dbraw/zinc/66/94/91/1066669491.db2.gz DCJOISDJOFVNNW-DEOSSOPVSA-N 0 0 454.473 4.553 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001492608679 1066669763 /nfs/dbraw/zinc/66/97/63/1066669763.db2.gz FVQGMDPOUBYDHK-SFHVURJKSA-N 0 0 458.994 4.549 20 0 JJADRN Cc1cc(OCC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)ccc1Br ZINC001456699178 1066670128 /nfs/dbraw/zinc/67/01/28/1066670128.db2.gz BSHAHFPVRIVZKV-NRFANRHFSA-N 0 0 457.409 4.582 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)ccc1Cl ZINC001456705818 1066670739 /nfs/dbraw/zinc/67/07/39/1066670739.db2.gz NSOPUUYRPGTXJG-VFNWGFHPSA-N 0 0 452.776 4.688 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC001456703274 1066670842 /nfs/dbraw/zinc/67/08/42/1066670842.db2.gz GUCLBKBRFUYDGE-JOCHJYFZSA-N 0 0 458.396 4.876 20 0 JJADRN CCC[C@H]1CN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001446188022 1066671114 /nfs/dbraw/zinc/67/11/14/1066671114.db2.gz NFMMLWDXBWZVAD-PPHZAIPVSA-N 0 0 450.579 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCOCc3ccc(Cl)cc3)cc2CC1 ZINC001446188163 1066671179 /nfs/dbraw/zinc/67/11/79/1066671179.db2.gz QWCJQKMRRKTKDR-UHFFFAOYSA-N 0 0 458.986 4.622 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CC[C@@H](C)[C@@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001446188182 1066671187 /nfs/dbraw/zinc/67/11/87/1066671187.db2.gz QXSALZQPIIZAOM-MOPGFXCFSA-N 0 0 450.608 4.848 20 0 JJADRN CC(=O)c1cnc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)s1 ZINC001456706820 1066671527 /nfs/dbraw/zinc/67/15/27/1066671527.db2.gz VATGVGPJCIYQOI-UHFFFAOYSA-N 0 0 458.337 4.542 20 0 JJADRN NC(=O)N1CCc2cc(NC(=O)c3ccccc3Oc3cccc(Br)c3)ccc21 ZINC001446189716 1066671810 /nfs/dbraw/zinc/67/18/10/1066671810.db2.gz NLKSOFZIGYQVCF-UHFFFAOYSA-N 0 0 452.308 4.935 20 0 JJADRN CC1=CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCOCC(F)(F)C(F)F)C1 ZINC001492609767 1066671861 /nfs/dbraw/zinc/67/18/61/1066671861.db2.gz WEEZKRNWQRHDHD-HNNXBMFYSA-N 0 0 460.447 4.631 20 0 JJADRN CC1=CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001492609979 1066671961 /nfs/dbraw/zinc/67/19/61/1066671961.db2.gz DAZZNFPOIXMTHV-UHFFFAOYSA-N 0 0 464.614 4.897 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccccc3Br)n2CCCOCC2CCOCC2)C1 ZINC001492610588 1066672874 /nfs/dbraw/zinc/67/28/74/1066672874.db2.gz YEVRXLHZXCAFNJ-UHFFFAOYSA-N 0 0 475.431 4.697 20 0 JJADRN CC[C@H]1CCCc2sc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)nc21 ZINC001456716748 1066672972 /nfs/dbraw/zinc/67/29/72/1066672972.db2.gz AJCJJIKHENFWHE-KRWDZBQOSA-N 0 0 455.605 4.704 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001456717609 1066673711 /nfs/dbraw/zinc/67/37/11/1066673711.db2.gz WNKZVHJQBLYCTR-QHCPKHFHSA-N 0 0 453.336 4.760 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)C1(c3cccc(Cl)c3)CC(=O)C1)C2 ZINC001456717819 1066673753 /nfs/dbraw/zinc/67/37/53/1066673753.db2.gz DOYPEUZDTSUDLR-UHFFFAOYSA-N 0 0 454.954 4.873 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)c2ccccc2)C1 ZINC001492611615 1066674246 /nfs/dbraw/zinc/67/42/46/1066674246.db2.gz GZQQIHODQKDNND-RBBKRZOGSA-N 0 0 467.614 4.547 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)n1 ZINC001456726397 1066674447 /nfs/dbraw/zinc/67/44/47/1066674447.db2.gz NCVXEQLGEHBYTR-GGPKGHCWSA-N 0 0 456.587 4.677 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC=C(C)C2)n1CC(=O)NC1CCCCC1 ZINC001492613343 1066675650 /nfs/dbraw/zinc/67/56/50/1066675650.db2.gz QDUURFCYORDFAC-UHFFFAOYSA-N 0 0 486.060 4.857 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545982707 1066675746 /nfs/dbraw/zinc/67/57/46/1066675746.db2.gz PWFFCPGMRBOLAS-RXVVDRJESA-N 0 0 487.620 4.893 20 0 JJADRN C[C@H](C(=O)Nc1ccc(N2CCSCC2)cc1)c1ccc(I)cc1 ZINC001456729146 1066675857 /nfs/dbraw/zinc/67/58/57/1066675857.db2.gz PVGQTTLLXHINCK-AWEZNQCLSA-N 0 0 452.361 4.587 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1Br)NC(=O)CCCc1ccc2c(c1)CCCC2 ZINC001456730266 1066675906 /nfs/dbraw/zinc/67/59/06/1066675906.db2.gz HLRCUIDIQQWKEF-JOCHJYFZSA-N 0 0 458.396 4.551 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001492613607 1066675980 /nfs/dbraw/zinc/67/59/80/1066675980.db2.gz BHKVDXVQCLGOKW-UHFFFAOYSA-N 0 0 477.462 4.537 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001446236809 1066676492 /nfs/dbraw/zinc/67/64/92/1066676492.db2.gz GLOMAZOVGXLKAP-GDBMZVCRSA-N 0 0 452.477 4.852 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cc1 ZINC001456733449 1066676857 /nfs/dbraw/zinc/67/68/57/1066676857.db2.gz IGSRQNLSYHZVEQ-HSZRJFAPSA-N 0 0 452.605 4.808 20 0 JJADRN O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001446239195 1066677179 /nfs/dbraw/zinc/67/71/79/1066677179.db2.gz FLOOJBJZUBNROF-UHFFFAOYSA-N 0 0 458.345 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cccc(O)c1F)c1ccc(Br)cc1 ZINC001446238292 1066677217 /nfs/dbraw/zinc/67/72/17/1066677217.db2.gz BHVCOFISGONRSJ-FQEVSTJZSA-N 0 0 453.308 4.672 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001492613920 1066677676 /nfs/dbraw/zinc/67/76/76/1066677676.db2.gz NLRRKLFPARPCAE-IBGZPJMESA-N 0 0 473.593 4.656 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001492613921 1066677769 /nfs/dbraw/zinc/67/77/69/1066677769.db2.gz NLRRKLFPARPCAE-LJQANCHMSA-N 0 0 473.593 4.656 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@@H](CC(C)C)N3Cc4ccccc4C3=O)cs2)cc1 ZINC001456738468 1066678254 /nfs/dbraw/zinc/67/82/54/1066678254.db2.gz RSXGALXTWZLDOW-JOCHJYFZSA-N 0 0 450.560 4.933 20 0 JJADRN CCc1cnc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)s1 ZINC001456735838 1066678293 /nfs/dbraw/zinc/67/82/93/1066678293.db2.gz VRFDGJKWEGIOGJ-UHFFFAOYSA-N 0 0 457.531 4.962 20 0 JJADRN COc1cccc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1OC(C)C ZINC001456735633 1066678337 /nfs/dbraw/zinc/67/83/37/1066678337.db2.gz ZXJIYZXBBSEIPL-UHFFFAOYSA-N 0 0 452.576 4.604 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)c1 ZINC001492614212 1066678374 /nfs/dbraw/zinc/67/83/74/1066678374.db2.gz YIPWBZQLYVBNEI-VSKRKVRLSA-N 0 0 481.641 4.981 20 0 JJADRN Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3OCCS(C)(=O)=O)s2)cs1 ZINC001456736510 1066678411 /nfs/dbraw/zinc/67/84/11/1066678411.db2.gz YJKKTWRDSGLXNE-UHFFFAOYSA-N 0 0 456.998 4.509 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001446243390 1066678745 /nfs/dbraw/zinc/67/87/45/1066678745.db2.gz YHRUFMNFFFNOPP-UHFFFAOYSA-N 0 0 455.917 4.555 20 0 JJADRN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC001446243650 1066678839 /nfs/dbraw/zinc/67/88/39/1066678839.db2.gz LTASYOPKOFPOPP-JOCHJYFZSA-N 0 0 450.535 4.611 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)C1CC1 ZINC001456741042 1066678893 /nfs/dbraw/zinc/67/88/93/1066678893.db2.gz BIKVJZMPKRTZOW-INIZCTEOSA-N 0 0 457.434 4.739 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492614652 1066679649 /nfs/dbraw/zinc/67/96/49/1066679649.db2.gz LSZKPSSDPBNOGV-RBUKOAKNSA-N 0 0 473.593 4.969 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001492615341 1066680313 /nfs/dbraw/zinc/68/03/13/1066680313.db2.gz JMJHLUNWOGWYRV-RBUKOAKNSA-N 0 0 497.587 4.645 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545982943 1066681334 /nfs/dbraw/zinc/68/13/34/1066681334.db2.gz ULPSYCKMZBOGQG-PZJWPPBQSA-N 0 0 455.603 4.507 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001492615492 1066681673 /nfs/dbraw/zinc/68/16/73/1066681673.db2.gz OQFXDIRAGXJUQC-JOCHJYFZSA-N 0 0 473.612 4.755 20 0 JJADRN C[C@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001446270738 1066681614 /nfs/dbraw/zinc/68/16/14/1066681614.db2.gz AXWJJGGDVQMQKL-INIZCTEOSA-N 0 0 450.514 4.798 20 0 JJADRN Cc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)nn1-c1ccc(Cl)cc1Cl ZINC001456754147 1066681787 /nfs/dbraw/zinc/68/17/87/1066681787.db2.gz ZWJMCXDSPZUYTB-QGZVFWFLSA-N 0 0 453.370 4.521 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2c(C)nn(C)c2Br)c1C ZINC001456756234 1066681883 /nfs/dbraw/zinc/68/18/83/1066681883.db2.gz VEMCNHVZTZNMJE-UHFFFAOYSA-N 0 0 457.159 4.853 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)C1 ZINC001456756273 1066681922 /nfs/dbraw/zinc/68/19/22/1066681922.db2.gz VMDYPDBTGYLGJV-BYQMVHIGSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1cc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc(C)c1OC(F)F ZINC001456759313 1066681969 /nfs/dbraw/zinc/68/19/69/1066681969.db2.gz IONSHHBJZMGHLW-UHFFFAOYSA-N 0 0 456.533 4.948 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)C1 ZINC001456756309 1066681986 /nfs/dbraw/zinc/68/19/86/1066681986.db2.gz VMDYPDBTGYLGJV-LEKPLPIFSA-N 0 0 450.579 4.516 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)CCC(=O)c1c(F)cccc1F ZINC001446271865 1066682551 /nfs/dbraw/zinc/68/25/51/1066682551.db2.gz IRZHFPBRQLYYTG-UHFFFAOYSA-N 0 0 455.255 4.897 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446271905 1066682576 /nfs/dbraw/zinc/68/25/76/1066682576.db2.gz INSMNKLZOANFFB-QGZVFWFLSA-N 0 0 451.880 4.921 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC001446275480 1066682985 /nfs/dbraw/zinc/68/29/85/1066682985.db2.gz PRBRTPWOOJZFSE-WMZHIEFXSA-N 0 0 450.608 4.767 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC001446275483 1066683170 /nfs/dbraw/zinc/68/31/70/1066683170.db2.gz PRBRTPWOOJZFSE-XXBNENTESA-N 0 0 450.608 4.767 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC001456765520 1066683257 /nfs/dbraw/zinc/68/32/57/1066683257.db2.gz KDEHKWGQIYMKNV-UHFFFAOYSA-N 0 0 456.951 4.768 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC001456764019 1066683334 /nfs/dbraw/zinc/68/33/34/1066683334.db2.gz LMBUITLWFSGSNY-UHFFFAOYSA-N 0 0 451.954 4.814 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC001456767877 1066683916 /nfs/dbraw/zinc/68/39/16/1066683916.db2.gz OTXDASKOLUMTOP-UHFFFAOYSA-N 0 0 458.502 4.527 20 0 JJADRN CC(C)(C)C(=O)c1ccsc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001456767360 1066683975 /nfs/dbraw/zinc/68/39/75/1066683975.db2.gz CFTLRUULSTVSMK-UHFFFAOYSA-N 0 0 452.374 4.890 20 0 JJADRN Cc1cccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c1 ZINC001492617437 1066684339 /nfs/dbraw/zinc/68/43/39/1066684339.db2.gz GHULFOXGABNXRH-JOCHJYFZSA-N 0 0 451.615 4.906 20 0 JJADRN COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)C2=O)cc1 ZINC001456768981 1066684673 /nfs/dbraw/zinc/68/46/73/1066684673.db2.gz GVTZPWDGDACYAW-IBGZPJMESA-N 0 0 458.436 4.505 20 0 JJADRN CC(C)(C)C(=O)c1ccsc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001456769094 1066684685 /nfs/dbraw/zinc/68/46/85/1066684685.db2.gz KPCSRTPILDPLKE-MRXNPFEDSA-N 0 0 459.637 4.867 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001492618014 1066685119 /nfs/dbraw/zinc/68/51/19/1066685119.db2.gz WAUJWMFRJBKUKB-RUZDIDTESA-N 0 0 487.670 4.518 20 0 JJADRN Cc1cn2c(CN(C)C(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c(C)nc2s1 ZINC001446281309 1066685333 /nfs/dbraw/zinc/68/53/33/1066685333.db2.gz ONLCMACNBMLKJP-UHFFFAOYSA-N 0 0 454.596 4.578 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001492618067 1066685306 /nfs/dbraw/zinc/68/53/06/1066685306.db2.gz WWEGEPINAVOZCC-FPOVZHCZSA-N 0 0 487.670 4.683 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccc(Cl)c(F)c1 ZINC001446281703 1066685368 /nfs/dbraw/zinc/68/53/68/1066685368.db2.gz YIRVZXSPVOIVIE-CYBMUJFWSA-N 0 0 452.960 4.510 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccncc3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001492618594 1066685944 /nfs/dbraw/zinc/68/59/44/1066685944.db2.gz PCZXYGKPOXRVLY-HXUWFJFHSA-N 0 0 456.363 4.894 20 0 JJADRN CC1=CCN(c2nnc(CCc3ccccc3)n2CCCCn2cc(Br)cn2)CC1 ZINC001492619127 1066686497 /nfs/dbraw/zinc/68/64/97/1066686497.db2.gz JSPUWMREOYFSPZ-UHFFFAOYSA-N 0 0 469.431 4.659 20 0 JJADRN CC1=CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492618905 1066686613 /nfs/dbraw/zinc/68/66/13/1066686613.db2.gz AZSUZFSLDWWTFB-OAQYLSRUSA-N 0 0 453.631 4.865 20 0 JJADRN CC1=CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492619067 1066686648 /nfs/dbraw/zinc/68/66/48/1066686648.db2.gz HGKOTSXNUWIVCY-IBGZPJMESA-N 0 0 464.614 4.667 20 0 JJADRN Cc1sc2ncnc(SCC(=O)N3CCN(c4ccc(F)cc4Cl)CC3)c2c1C ZINC001446293706 1066686815 /nfs/dbraw/zinc/68/68/15/1066686815.db2.gz KAXNCKMHWCXBIT-UHFFFAOYSA-N 0 0 450.992 4.542 20 0 JJADRN CN(C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001456772290 1066686942 /nfs/dbraw/zinc/68/69/42/1066686942.db2.gz SKUZGYRDABBZDQ-PKTZIBPZSA-N 0 0 452.913 4.863 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)NC(=O)OC(C)(C)C ZINC001545984004 1066687764 /nfs/dbraw/zinc/68/77/64/1066687764.db2.gz BBEXSDFMITYGKX-IBGZPJMESA-N 0 0 492.068 4.930 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1cn[nH]c1 ZINC001546084897 1066687911 /nfs/dbraw/zinc/68/79/11/1066687911.db2.gz ZTIDMNDNKBXAGI-HTAPYJJXSA-N 0 0 450.539 4.514 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2F)CC1 ZINC001492619846 1066688030 /nfs/dbraw/zinc/68/80/30/1066688030.db2.gz LQNGSSFULXTBPS-SLFFLAALSA-N 0 0 485.604 4.812 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001492619881 1066688095 /nfs/dbraw/zinc/68/80/95/1066688095.db2.gz NFQUREMTLNGCEH-NHCUHLMSSA-N 0 0 473.662 4.753 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001492619752 1066688116 /nfs/dbraw/zinc/68/81/16/1066688116.db2.gz IKXTUYMRMLWSRJ-UHFFFAOYSA-N 0 0 474.671 4.524 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001446299499 1066688326 /nfs/dbraw/zinc/68/83/26/1066688326.db2.gz XHFOSSSYPKBDQW-CJNGLKHVSA-N 0 0 457.384 4.529 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001446298836 1066688353 /nfs/dbraw/zinc/68/83/53/1066688353.db2.gz JUEQCYWCAREGEU-SZNDQCEHSA-N 0 0 457.384 4.673 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCNC(=O)C2CCC2)CC1 ZINC001492619985 1066688543 /nfs/dbraw/zinc/68/85/43/1066688543.db2.gz QUOOKLJOMHCRKX-UHFFFAOYSA-N 0 0 478.424 4.627 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001492619973 1066688598 /nfs/dbraw/zinc/68/85/98/1066688598.db2.gz QDPXYWIKSJRIMK-IAGOWNOFSA-N 0 0 451.398 4.993 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC=C(C)CC2)cs1 ZINC001492620112 1066689392 /nfs/dbraw/zinc/68/93/92/1066689392.db2.gz WCLXNOTZCSDUFY-IBGZPJMESA-N 0 0 458.632 4.514 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001456780668 1066689388 /nfs/dbraw/zinc/68/93/88/1066689388.db2.gz FNLNMAAIEUUZPR-HNNXBMFYSA-N 0 0 458.967 4.868 20 0 JJADRN COc1c(N)c(C(=O)N(Cc2ccco2)Cc2cccnc2)cc(Cl)c1Br ZINC001446317064 1066689569 /nfs/dbraw/zinc/68/95/69/1066689569.db2.gz ORHWRESCVLLGBW-UHFFFAOYSA-N 0 0 450.720 4.524 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3c(C)cccc3C)C2)c1 ZINC001492620421 1066690037 /nfs/dbraw/zinc/69/00/37/1066690037.db2.gz FJABWERWJAQVJQ-QFIPXVFZSA-N 0 0 450.631 4.909 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC001446320418 1066690551 /nfs/dbraw/zinc/69/05/51/1066690551.db2.gz PCPDQUCUPADOJY-UHFFFAOYSA-N 0 0 452.555 4.854 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)C2=O)cc1 ZINC001446328724 1066691183 /nfs/dbraw/zinc/69/11/83/1066691183.db2.gz GROYOUPXRLDXDG-KSFYIVLOSA-N 0 0 455.396 4.899 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCSC(F)(F)F)C2)c1 ZINC001492621018 1066691478 /nfs/dbraw/zinc/69/14/78/1066691478.db2.gz QNDUFDCRRSUEOY-QGZVFWFLSA-N 0 0 450.534 4.853 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)C)n3CCc3ccc(Br)cc3)C2)c1 ZINC001492621184 1066691509 /nfs/dbraw/zinc/69/15/09/1066691509.db2.gz UQKNBTHURVCSHN-FQEVSTJZSA-N 0 0 457.420 4.753 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC2CCCCC2)CCO1 ZINC001546084957 1066691563 /nfs/dbraw/zinc/69/15/63/1066691563.db2.gz BAMZDQGOWCGDCT-NRFANRHFSA-N 0 0 450.425 4.632 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CCOc1cccc(Br)c1 ZINC001446330696 1066691900 /nfs/dbraw/zinc/69/19/00/1066691900.db2.gz JJPDRJJYSKKKLF-CYBMUJFWSA-N 0 0 453.174 4.954 20 0 JJADRN Cc1nc(CNC(=O)c2cccc(OCc3ccccc3Br)c2)ccc1[C@H](C)O ZINC001446332548 1066692158 /nfs/dbraw/zinc/69/21/58/1066692158.db2.gz LKHXCQBLCUUKQP-INIZCTEOSA-N 0 0 455.352 4.715 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCCOC(C)C)C2)c1 ZINC001492621353 1066692004 /nfs/dbraw/zinc/69/20/04/1066692004.db2.gz XLYBSGFXXZUWOP-IFMALSPDSA-N 0 0 470.593 4.719 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)/C=C/c3cc(C)c(C)cc3C)CC2)c(Cl)c1 ZINC001456795170 1066691966 /nfs/dbraw/zinc/69/19/66/1066691966.db2.gz BLEJBCXSRKEAKJ-WFNSPDMASA-N 0 0 454.998 4.725 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC4CCCC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)c1 ZINC001492621654 1066692904 /nfs/dbraw/zinc/69/29/04/1066692904.db2.gz FDSOQMCWEABRAU-NRFANRHFSA-N 0 0 485.677 4.661 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC001456798512 1066692943 /nfs/dbraw/zinc/69/29/43/1066692943.db2.gz CAMSOYPLYVONDG-QFQXNSOFSA-N 0 0 456.586 4.673 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3ccc(OC(F)F)c(F)c3)CC2)c1 ZINC001492622209 1066693299 /nfs/dbraw/zinc/69/32/99/1066693299.db2.gz LUUZJBCIQBAWJI-UHFFFAOYSA-N 0 0 462.520 4.612 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(COc4ccc(Cl)cc4)n3CCOC(C)(C)C)CC2)c1 ZINC001492621999 1066693404 /nfs/dbraw/zinc/69/34/04/1066693404.db2.gz FKSMHYOYIOVPKE-UHFFFAOYSA-N 0 0 487.048 4.747 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)c(Cl)c1 ZINC001456799679 1066693622 /nfs/dbraw/zinc/69/36/22/1066693622.db2.gz JHAUPPQJMGIUKM-RBBKRZOGSA-N 0 0 457.014 4.916 20 0 JJADRN CC(C)C[C@H](NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)c1nc(-c2nc[nH]n2)no1 ZINC001446339466 1066693554 /nfs/dbraw/zinc/69/35/54/1066693554.db2.gz UOTLLDSWJXVESR-INIZCTEOSA-N 0 0 451.556 4.619 20 0 JJADRN COC[C@@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC001446339250 1066693648 /nfs/dbraw/zinc/69/36/48/1066693648.db2.gz WJKGGLUGLBKTAF-IQGLISFBSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCOCCC(C)C)CCO2)c1 ZINC001492622753 1066694236 /nfs/dbraw/zinc/69/42/36/1066694236.db2.gz QQYMEZJJRVANOX-VWLOTQADSA-N 0 0 494.684 4.716 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(COc4ccccc4F)n3CCSC(C)C)CC2)c1 ZINC001492622480 1066694271 /nfs/dbraw/zinc/69/42/71/1066694271.db2.gz NIYSJDXEIRBTHG-UHFFFAOYSA-N 0 0 472.634 4.559 20 0 JJADRN Cc1nc(CNC(=O)c2ccc(COc3ccccc3Br)cc2)ccc1[C@H](C)O ZINC001446342735 1066694257 /nfs/dbraw/zinc/69/42/57/1066694257.db2.gz YWHFCVUUNKHBDH-INIZCTEOSA-N 0 0 455.352 4.715 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3CCc3ccc(Br)cc3)CC2)c1 ZINC001492622897 1066694621 /nfs/dbraw/zinc/69/46/21/1066694621.db2.gz UPIUCQIUBZTJOZ-UHFFFAOYSA-N 0 0 471.447 4.828 20 0 JJADRN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001456804266 1066695258 /nfs/dbraw/zinc/69/52/58/1066695258.db2.gz YECDNNHPVOQONL-RTBURBONSA-N 0 0 470.541 4.764 20 0 JJADRN CC[C@@H](C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001456803747 1066695321 /nfs/dbraw/zinc/69/53/21/1066695321.db2.gz QYZUCYQHIUVGQA-MOPGFXCFSA-N 0 0 458.986 4.578 20 0 JJADRN CN(CCCC(=O)OC(C)(C)C)C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001456803968 1066695328 /nfs/dbraw/zinc/69/53/28/1066695328.db2.gz TWCRIMYVYVVGTA-UHFFFAOYSA-N 0 0 452.311 4.981 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3CCc3csc(C(C)(C)C)n3)CC2)c1 ZINC001492623200 1066695404 /nfs/dbraw/zinc/69/54/04/1066695404.db2.gz ZEMNBVYVZUZWKO-UHFFFAOYSA-N 0 0 455.676 4.820 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001446363846 1066696276 /nfs/dbraw/zinc/69/62/76/1066696276.db2.gz DUHMPDAWXSJSBA-IRJFHVNHSA-N 0 0 457.416 4.838 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001545984955 1066696455 /nfs/dbraw/zinc/69/64/55/1066696455.db2.gz SQOWNJXRPKMAAS-REWPJTCUSA-N 0 0 485.648 4.921 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC001446370845 1066696898 /nfs/dbraw/zinc/69/68/98/1066696898.db2.gz DFEIVWVUGIHVNR-UHFFFAOYSA-N 0 0 451.777 4.987 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(C)cc1 ZINC001456807151 1066697136 /nfs/dbraw/zinc/69/71/36/1066697136.db2.gz IAAIPXBBSYYDKE-OAQYLSRUSA-N 0 0 450.970 4.712 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H](C)c2ccco2)c1 ZINC001492626437 1066697551 /nfs/dbraw/zinc/69/75/51/1066697551.db2.gz BYKKVAIXONOZHB-HNNXBMFYSA-N 0 0 473.350 4.842 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)Cc2c[nH]c3ccc(Br)cc23)n(-c2ccccc2)n1 ZINC001446376921 1066697812 /nfs/dbraw/zinc/69/78/12/1066697812.db2.gz HKCJPWUOJJHGIJ-HNNXBMFYSA-N 0 0 451.368 4.714 20 0 JJADRN COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001456809096 1066697835 /nfs/dbraw/zinc/69/78/35/1066697835.db2.gz APRULTWGSRWOBB-DVECYGJZSA-N 0 0 453.579 4.694 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456808967 1066697891 /nfs/dbraw/zinc/69/78/91/1066697891.db2.gz FJSZTFZCBBTTAD-MBSDFSHPSA-N 0 0 450.579 4.706 20 0 JJADRN Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001492626873 1066697930 /nfs/dbraw/zinc/69/79/30/1066697930.db2.gz WZVGVQLMYDAPKN-FQEVSTJZSA-N 0 0 476.547 4.669 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC001446378970 1066698471 /nfs/dbraw/zinc/69/84/71/1066698471.db2.gz MSZPHSKRDXSNAF-UHFFFAOYSA-N 0 0 459.262 4.624 20 0 JJADRN Cc1cnn(CCn2c(CC3CCCC3)nnc2N(C)Cc2cc(Br)cs2)c1 ZINC001492627700 1066698708 /nfs/dbraw/zinc/69/87/08/1066698708.db2.gz IMYGJMWFKGWDQT-UHFFFAOYSA-N 0 0 463.449 4.676 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1)CCC2 ZINC001492628292 1066699082 /nfs/dbraw/zinc/69/90/82/1066699082.db2.gz CKKMGVKWTBVBTQ-HXUWFJFHSA-N 0 0 468.621 4.994 20 0 JJADRN COc1ccc(C(=O)NCCCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc1 ZINC001456815297 1066699192 /nfs/dbraw/zinc/69/91/92/1066699192.db2.gz LTJPFUQYWGDAEP-UHFFFAOYSA-N 0 0 457.574 4.649 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)c1 ZINC001492628272 1066699280 /nfs/dbraw/zinc/69/92/80/1066699280.db2.gz BYNWXZOJHXEKCO-TUACAJSNSA-N 0 0 480.657 4.565 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001446383908 1066699910 /nfs/dbraw/zinc/69/99/10/1066699910.db2.gz UINHOJSKPPQRLN-UHFFFAOYSA-N 0 0 455.352 4.687 20 0 JJADRN CCCCOCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(Br)cc1 ZINC001456816171 1066699955 /nfs/dbraw/zinc/69/99/55/1066699955.db2.gz DYFYOCWSIRYJRN-UHFFFAOYSA-N 0 0 457.368 4.765 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(-c3ccc(C(C)(C)C)cc3)nnc1N(C)CCCCCO)CCC2 ZINC001492628617 1066700078 /nfs/dbraw/zinc/70/00/78/1066700078.db2.gz IIZNZSQGQPNVEJ-JOCHJYFZSA-N 0 0 464.658 4.924 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628837 1066700217 /nfs/dbraw/zinc/70/02/17/1066700217.db2.gz NZDGAFGKQPNZGV-IFMALSPDSA-N 0 0 499.704 4.689 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccccn2)s1 ZINC001492629533 1066700657 /nfs/dbraw/zinc/70/06/57/1066700657.db2.gz CNDQYZQGJPTEHM-GOSISDBHSA-N 0 0 475.622 4.747 20 0 JJADRN O=C(OCc1cnc(-c2cccs2)o1)C1(c2ccc(I)cc2)CC1 ZINC001456821115 1066701253 /nfs/dbraw/zinc/70/12/53/1066701253.db2.gz ZFCOCMVJYBVUST-UHFFFAOYSA-N 0 0 451.285 4.783 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546085098 1066701360 /nfs/dbraw/zinc/70/13/60/1066701360.db2.gz DXGXVZJFPAUUDQ-DYVFJYSZSA-N 0 0 497.381 4.742 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492629509 1066701442 /nfs/dbraw/zinc/70/14/42/1066701442.db2.gz CFWOKJGRBZDHKT-IRXDYDNUSA-N 0 0 487.695 4.790 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCC(C)(C)c1ccccc1Br ZINC001446394368 1066701538 /nfs/dbraw/zinc/70/15/38/1066701538.db2.gz OFWCANYFNSEUNW-OAQYLSRUSA-N 0 0 459.428 4.996 20 0 JJADRN C[C@](O)(C(=O)NCCc1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001446392401 1066701599 /nfs/dbraw/zinc/70/15/99/1066701599.db2.gz LLJACPMCXDULPK-QGZVFWFLSA-N 0 0 450.682 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001456825258 1066701687 /nfs/dbraw/zinc/70/16/87/1066701687.db2.gz PTLTZMHWSNUFDF-FPOVZHCZSA-N 0 0 458.002 4.561 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c2N1 ZINC001446399059 1066701936 /nfs/dbraw/zinc/70/19/36/1066701936.db2.gz RESZAMJLDLQGJD-GIPNMCIBSA-N 0 0 467.439 4.686 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cc2)cc1 ZINC001456830060 1066702512 /nfs/dbraw/zinc/70/25/12/1066702512.db2.gz LNZZMNBDPGCDIE-UHFFFAOYSA-N 0 0 453.564 4.831 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492630046 1066702949 /nfs/dbraw/zinc/70/29/49/1066702949.db2.gz MTBPHLCZCJZZQZ-OAHLLOKOSA-N 0 0 482.013 4.637 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3(Cc4ccccc4)CC3)c2)cc1F ZINC001446417323 1066703097 /nfs/dbraw/zinc/70/30/97/1066703097.db2.gz ALBQFWVIIOERTF-UHFFFAOYSA-N 0 0 452.551 4.688 20 0 JJADRN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001456835926 1066703403 /nfs/dbraw/zinc/70/34/03/1066703403.db2.gz DWVOOYYMDFVMSN-GOTSBHOMSA-N 0 0 456.583 4.721 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC001456835660 1066703460 /nfs/dbraw/zinc/70/34/60/1066703460.db2.gz WBBLFOHOFPCXQU-CEXWTWQISA-N 0 0 455.640 4.610 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC001456835687 1066703475 /nfs/dbraw/zinc/70/34/75/1066703475.db2.gz WBBLFOHOFPCXQU-GBESFXJTSA-N 0 0 455.640 4.610 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2csc(-c3cc(Br)cs3)n2)no1 ZINC001456834321 1066703485 /nfs/dbraw/zinc/70/34/85/1066703485.db2.gz RZGFVGZPXSKOCC-GFCCVEGCSA-N 0 0 453.387 4.947 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001446423803 1066703554 /nfs/dbraw/zinc/70/35/54/1066703554.db2.gz INUYJLRGTCEYHO-IBGZPJMESA-N 0 0 458.027 4.845 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC001446420263 1066703658 /nfs/dbraw/zinc/70/36/58/1066703658.db2.gz CTGRGJUGLVJDPP-UHFFFAOYSA-N 0 0 450.579 4.863 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001446423886 1066703670 /nfs/dbraw/zinc/70/36/70/1066703670.db2.gz INUYJLRGTCEYHO-LJQANCHMSA-N 0 0 458.027 4.845 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001456836911 1066703996 /nfs/dbraw/zinc/70/39/96/1066703996.db2.gz AHLVXPHTBCIHIL-MRXNPFEDSA-N 0 0 450.482 4.538 20 0 JJADRN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001456835945 1066704074 /nfs/dbraw/zinc/70/40/74/1066704074.db2.gz DWVOOYYMDFVMSN-XZOQPEGZSA-N 0 0 456.583 4.721 20 0 JJADRN C[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)Cc1ccccc1 ZINC001446424187 1066704190 /nfs/dbraw/zinc/70/41/90/1066704190.db2.gz DIEZJBNLCNKPMU-SBUREZEXSA-N 0 0 452.348 4.886 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)s1 ZINC001492630232 1066704189 /nfs/dbraw/zinc/70/41/89/1066704189.db2.gz QGAXHVZRBJXTMZ-MRXNPFEDSA-N 0 0 452.559 4.563 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)s1 ZINC001492630348 1066704672 /nfs/dbraw/zinc/70/46/72/1066704672.db2.gz SDXVJMCNKQDUKR-UYAOXDASSA-N 0 0 466.655 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3c[nH]nc3-c3ccccc3)cs2)CC1 ZINC001446428563 1066704589 /nfs/dbraw/zinc/70/45/89/1066704589.db2.gz SHJAZPSPLUYNPD-UHFFFAOYSA-N 0 0 453.568 4.900 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492630531 1066704977 /nfs/dbraw/zinc/70/49/77/1066704977.db2.gz WGSHPGVYFOEALC-HKUYNNGSSA-N 0 0 482.654 4.720 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492630532 1066704988 /nfs/dbraw/zinc/70/49/88/1066704988.db2.gz WGSHPGVYFOEALC-IEBWSBKVSA-N 0 0 482.654 4.720 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)s1 ZINC001492630461 1066705128 /nfs/dbraw/zinc/70/51/28/1066705128.db2.gz UVOHSKYKPAIKEQ-RDJZCZTQSA-N 0 0 467.574 4.552 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001492630578 1066705149 /nfs/dbraw/zinc/70/51/49/1066705149.db2.gz XDENDJUEIMMFTA-GJZGRUSLSA-N 0 0 476.444 4.891 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnccn2)s1 ZINC001492630460 1066705166 /nfs/dbraw/zinc/70/51/66/1066705166.db2.gz UVOHSKYKPAIKEQ-NVXWUHKLSA-N 0 0 467.574 4.552 20 0 JJADRN O=C(NCc1cc2cccnc2cc1Br)c1sc(N2CCCC2)nc1Cl ZINC001446434221 1066705651 /nfs/dbraw/zinc/70/56/51/1066705651.db2.gz OWHHGCOBAZHOHC-UHFFFAOYSA-N 0 0 451.777 4.637 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)ccc2c1 ZINC001456851531 1066705747 /nfs/dbraw/zinc/70/57/47/1066705747.db2.gz DSJKIZLWLVQWGN-UUOWRZLLSA-N 0 0 453.560 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)C1 ZINC001456850899 1066705755 /nfs/dbraw/zinc/70/57/55/1066705755.db2.gz LJXFCLTXPYHDHF-HXUWFJFHSA-N 0 0 458.599 4.682 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492630741 1066706064 /nfs/dbraw/zinc/70/60/64/1066706064.db2.gz ZTAGRNSAAWDFDG-NZSAHSFTSA-N 0 0 473.618 4.989 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1Cl ZINC001456851796 1066706151 /nfs/dbraw/zinc/70/61/51/1066706151.db2.gz HIEHJSVTQLDNAJ-VOIUYBSRSA-N 0 0 452.913 4.746 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1)NC(=O)OC(C)(C)C ZINC001545986158 1066706354 /nfs/dbraw/zinc/70/63/54/1066706354.db2.gz AGTQYKVKQCAUIY-MSOLQXFVSA-N 0 0 489.583 4.992 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccccc1Cl ZINC001456855733 1066706725 /nfs/dbraw/zinc/70/67/25/1066706725.db2.gz UUAGTDHUVMTPEU-NRFANRHFSA-N 0 0 455.942 4.557 20 0 JJADRN O=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001456858398 1066707210 /nfs/dbraw/zinc/70/72/10/1066707210.db2.gz BYXOPRUDZFINDH-GTROLIPKSA-N 0 0 468.313 4.694 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001456858137 1066707258 /nfs/dbraw/zinc/70/72/58/1066707258.db2.gz AAEHJJGIKSYFDC-UHFFFAOYSA-N 0 0 454.889 4.672 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001456858370 1066707474 /nfs/dbraw/zinc/70/74/74/1066707474.db2.gz AEVYMMWKJSGKQP-SFHVURJKSA-N 0 0 452.414 4.644 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545986331 1066707367 /nfs/dbraw/zinc/70/73/67/1066707367.db2.gz DBIYWLOBKQCOGZ-NHCUHLMSSA-N 0 0 487.645 4.511 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001492631296 1066707918 /nfs/dbraw/zinc/70/79/18/1066707918.db2.gz ITBSCJHANNACFY-GJZGRUSLSA-N 0 0 461.582 4.719 20 0 JJADRN COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)c2ccccc12 ZINC001456862121 1066708300 /nfs/dbraw/zinc/70/83/00/1066708300.db2.gz KJGMWYIWPBRFMS-OAHLLOKOSA-N 0 0 454.320 4.878 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)ccc2c1 ZINC001456860845 1066708321 /nfs/dbraw/zinc/70/83/21/1066708321.db2.gz VPAAGOVFJBPSQU-PVRZRQTBSA-N 0 0 452.551 4.589 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)ccc2c1 ZINC001456860828 1066708423 /nfs/dbraw/zinc/70/84/23/1066708423.db2.gz VPAAGOVFJBPSQU-FXFTYNISSA-N 0 0 452.551 4.589 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492631884 1066708940 /nfs/dbraw/zinc/70/89/40/1066708940.db2.gz SZXCCQGGNJXWDG-UYAOXDASSA-N 0 0 461.676 4.772 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001446483676 1066709178 /nfs/dbraw/zinc/70/91/78/1066709178.db2.gz DHCSIKYNHNPNJF-GHTZIAJQSA-N 0 0 456.949 4.912 20 0 JJADRN CO[C@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)(C)C ZINC001456863830 1066709186 /nfs/dbraw/zinc/70/91/86/1066709186.db2.gz HSCHPBRYANSBAC-LJQANCHMSA-N 0 0 459.015 4.857 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492632289 1066709979 /nfs/dbraw/zinc/70/99/79/1066709979.db2.gz AUSMUOWGOMDAPA-PKOBYXMFSA-N 0 0 468.671 4.800 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC001446487394 1066710170 /nfs/dbraw/zinc/71/01/70/1066710170.db2.gz BAPLDCQKDLJUIH-ZJSXRUAMSA-N 0 0 450.554 4.785 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)s1 ZINC001492632301 1066710453 /nfs/dbraw/zinc/71/04/53/1066710453.db2.gz BCFDYCJUZOGBHB-HXUWFJFHSA-N 0 0 494.709 4.715 20 0 JJADRN Cc1cnc(C2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(=O)NC(C)C)CC2)s1 ZINC001492632416 1066710520 /nfs/dbraw/zinc/71/05/20/1066710520.db2.gz DSVCCPHQQHSWCA-HXUWFJFHSA-N 0 0 496.681 4.708 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446490562 1066710640 /nfs/dbraw/zinc/71/06/40/1066710640.db2.gz XJRJOHYWHGNEIO-WMZOPIPTSA-N 0 0 456.739 4.735 20 0 JJADRN COc1cc(C(=O)N[C@H](CO)CC(C)(C)C)ccc1OCc1ccc(Br)s1 ZINC001446498023 1066710818 /nfs/dbraw/zinc/71/08/18/1066710818.db2.gz DBHNFRCMWUCQIY-AWEZNQCLSA-N 0 0 456.402 4.625 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)s1 ZINC001492632472 1066710942 /nfs/dbraw/zinc/71/09/42/1066710942.db2.gz FTCYXJCKDNHBLD-WBVHZDCISA-N 0 0 462.664 4.638 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)s1 ZINC001492632463 1066711038 /nfs/dbraw/zinc/71/10/38/1066711038.db2.gz FOZDVXWJTXHJRO-SPUZQDLCSA-N 0 0 492.715 4.559 20 0 JJADRN CC(C)[C@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001446499387 1066711310 /nfs/dbraw/zinc/71/13/10/1066711310.db2.gz VFVIHJZKHDJRGD-FQEVSTJZSA-N 0 0 457.537 4.508 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)CC(=O)Nc3cccc(Cl)c3)nnc2C(C)(C)C)s1 ZINC001492632520 1066711440 /nfs/dbraw/zinc/71/14/40/1066711440.db2.gz HAORWABYRJPGOK-CQSZACIVSA-N 0 0 461.035 4.873 20 0 JJADRN C[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Oc1ccc(Br)cc1 ZINC001456873387 1066711505 /nfs/dbraw/zinc/71/15/05/1066711505.db2.gz DEFHHWKMBGLYDV-CQSZACIVSA-N 0 0 459.365 4.960 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001456871959 1066711636 /nfs/dbraw/zinc/71/16/36/1066711636.db2.gz JFZHFONJUHFPJB-NVXWUHKLSA-N 0 0 452.393 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)CSc1ccc(Br)cc1 ZINC001456874555 1066711664 /nfs/dbraw/zinc/71/16/64/1066711664.db2.gz CTKABLCPOCXRJX-INIZCTEOSA-N 0 0 457.434 4.837 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)s1 ZINC001492632698 1066711926 /nfs/dbraw/zinc/71/19/26/1066711926.db2.gz KLNDACURUTYKGH-HOCLYGCPSA-N 0 0 484.617 4.572 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)s1 ZINC001492632822 1066712024 /nfs/dbraw/zinc/71/20/24/1066712024.db2.gz NMLNLCBGLBFVCD-MRXNPFEDSA-N 0 0 484.029 4.548 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001456876896 1066712089 /nfs/dbraw/zinc/71/20/89/1066712089.db2.gz ZQTIDTOYFFCPAT-JWQCQUIFSA-N 0 0 450.623 4.872 20 0 JJADRN C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)Oc1cccc(Cl)c1 ZINC001456875252 1066712138 /nfs/dbraw/zinc/71/21/38/1066712138.db2.gz YQKYVVXAKDGFFO-GFCCVEGCSA-N 0 0 452.711 4.625 20 0 JJADRN C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)Oc1cccc(Cl)c1 ZINC001456875255 1066712241 /nfs/dbraw/zinc/71/22/41/1066712241.db2.gz YQKYVVXAKDGFFO-LBPRGKRZSA-N 0 0 452.711 4.625 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001456876796 1066712297 /nfs/dbraw/zinc/71/22/97/1066712297.db2.gz KRTHUCPJLYAFHP-DJJJIMSYSA-N 0 0 455.769 4.835 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2nccs2)s1 ZINC001492632941 1066712421 /nfs/dbraw/zinc/71/24/21/1066712421.db2.gz QMSGXYOWDJAXJQ-SZVBFZGTSA-N 0 0 474.700 4.901 20 0 JJADRN Cc1cccc(F)c1CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001456879853 1066713317 /nfs/dbraw/zinc/71/33/17/1066713317.db2.gz ISUSMZXWMKYXLQ-UHFFFAOYSA-N 0 0 450.514 4.929 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516488 1066713351 /nfs/dbraw/zinc/71/33/51/1066713351.db2.gz SMNVOMPBBKETEZ-SJROBZAFSA-N 0 0 472.674 4.532 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001446515639 1066713419 /nfs/dbraw/zinc/71/34/19/1066713419.db2.gz MRSIAQVUTQZFIW-BCHFMIIMSA-N 0 0 458.606 4.839 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)s1 ZINC001492633248 1066713416 /nfs/dbraw/zinc/71/34/16/1066713416.db2.gz XJOSUABYUKEGPI-INIZCTEOSA-N 0 0 476.691 4.980 20 0 JJADRN Cc1cnc(C2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCOCC(F)F)CC2)s1 ZINC001492633281 1066713540 /nfs/dbraw/zinc/71/35/40/1066713540.db2.gz XVOYUGHOKAZCMW-MRXNPFEDSA-N 0 0 495.571 4.988 20 0 JJADRN CO[C@]1(C)C[C@@H](NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1(C)C ZINC001456882741 1066713826 /nfs/dbraw/zinc/71/38/26/1066713826.db2.gz VXLBPIDFPFSBBU-SJKOYZFVSA-N 0 0 451.276 4.526 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1N1CCOC1=O ZINC001456883075 1066713899 /nfs/dbraw/zinc/71/38/99/1066713899.db2.gz OCLQQPQKHIIDOT-GFCCVEGCSA-N 0 0 451.342 4.534 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)Cc3nc([C@H](C)OCC(C)C)no3)nnc2C(C)(C)C)s1 ZINC001492633339 1066713974 /nfs/dbraw/zinc/71/39/74/1066713974.db2.gz YRXVQIUGDSKGRN-WBVHZDCISA-N 0 0 475.663 4.897 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC001446519991 1066714087 /nfs/dbraw/zinc/71/40/87/1066714087.db2.gz XWQAYFQUUHKXAE-ISKFKSNPSA-N 0 0 451.954 4.744 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1C ZINC001456887203 1066714248 /nfs/dbraw/zinc/71/42/48/1066714248.db2.gz JTMOAHFVIWQINV-UHFFFAOYSA-N 0 0 458.514 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1O2 ZINC001456885497 1066714265 /nfs/dbraw/zinc/71/42/65/1066714265.db2.gz KXSUVCZVJSNVJY-DVECYGJZSA-N 0 0 458.942 4.679 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546085472 1066715242 /nfs/dbraw/zinc/71/52/42/1066715242.db2.gz LUOQTUAODRQLPY-GPNASLBKSA-N 0 0 478.728 4.828 20 0 JJADRN O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525043 1066715360 /nfs/dbraw/zinc/71/53/60/1066715360.db2.gz ACUALAZNIKNWPL-RSXGOPAZSA-N 0 0 452.957 4.836 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CCCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633866 1066715415 /nfs/dbraw/zinc/71/54/15/1066715415.db2.gz RHOMNAABUYXULE-UHFFFAOYSA-N 0 0 474.675 4.952 20 0 JJADRN O=C(NCCOC1CCSCC1)c1cc(Br)ccc1OCc1ccccc1 ZINC001456893816 1066715819 /nfs/dbraw/zinc/71/58/19/1066715819.db2.gz NZMWGZXXFHKVEE-UHFFFAOYSA-N 0 0 450.398 4.670 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001492634006 1066715954 /nfs/dbraw/zinc/71/59/54/1066715954.db2.gz XGLWZCCRGKUWLH-FQEVSTJZSA-N 0 0 492.407 4.559 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)Oc1ccccc1F ZINC001545987171 1066716047 /nfs/dbraw/zinc/71/60/47/1066716047.db2.gz PUPSMSCTTQADDL-ICSRJNTNSA-N 0 0 487.620 4.988 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001456896889 1066716365 /nfs/dbraw/zinc/71/63/65/1066716365.db2.gz PIURSIMYTHLTLC-HNNXBMFYSA-N 0 0 456.384 4.739 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492634139 1066716509 /nfs/dbraw/zinc/71/65/09/1066716509.db2.gz CQJBINPAXHUZLX-QGZVFWFLSA-N 0 0 469.561 4.788 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001492634654 1066717096 /nfs/dbraw/zinc/71/70/96/1066717096.db2.gz VAOYNROYZJWQDY-UHFFFAOYSA-N 0 0 491.592 4.726 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492634474 1066717250 /nfs/dbraw/zinc/71/72/50/1066717250.db2.gz OWUXIMGBQGNDGR-GOSISDBHSA-N 0 0 469.561 4.836 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492634703 1066717620 /nfs/dbraw/zinc/71/76/20/1066717620.db2.gz WJINVQRFISCSRJ-GFCCVEGCSA-N 0 0 475.416 4.990 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC(N)=O ZINC001492634674 1066717641 /nfs/dbraw/zinc/71/76/41/1066717641.db2.gz VJRCQSZTOQBVMG-SJLPKXTDSA-N 0 0 474.005 4.647 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492634704 1066717725 /nfs/dbraw/zinc/71/77/25/1066717725.db2.gz WJINVQRFISCSRJ-LBPRGKRZSA-N 0 0 475.416 4.990 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1Cl ZINC001456903714 1066717946 /nfs/dbraw/zinc/71/79/46/1066717946.db2.gz JAUFVPQUUOUVQA-UHFFFAOYSA-N 0 0 454.951 4.502 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 ZINC001492634965 1066718217 /nfs/dbraw/zinc/71/82/17/1066718217.db2.gz CTVFCIBWAYUVSD-HXUWFJFHSA-N 0 0 457.619 4.887 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(-c2cccc3cccnc32)cc1)Cc1ccccc1OC ZINC001446539171 1066718258 /nfs/dbraw/zinc/71/82/58/1066718258.db2.gz UFCHYCFYTOZTDJ-HSZRJFAPSA-N 0 0 454.526 4.672 20 0 JJADRN CN(C)c1ccc(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)cn1 ZINC001456906189 1066718421 /nfs/dbraw/zinc/71/84/21/1066718421.db2.gz QILSIWWVIGZBRI-UHFFFAOYSA-N 0 0 450.340 4.560 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C(F)F)c(F)c1 ZINC001446540783 1066718869 /nfs/dbraw/zinc/71/88/69/1066718869.db2.gz GCQNYXCUPUWPDJ-UHFFFAOYSA-N 0 0 457.518 4.868 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC001545987263 1066718930 /nfs/dbraw/zinc/71/89/30/1066718930.db2.gz QYDQPDAYVSWIDF-UYAOXDASSA-N 0 0 479.572 4.738 20 0 JJADRN Cc1ccc(Br)nc1C(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001446540936 1066719016 /nfs/dbraw/zinc/71/90/16/1066719016.db2.gz WTGFMUKLAMVYBE-XMMPIXPASA-N 0 0 451.364 4.629 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001492636001 1066719310 /nfs/dbraw/zinc/71/93/10/1066719310.db2.gz HZKKSQFVUPWNQU-IFXJQAMLSA-N 0 0 468.907 4.936 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001456910842 1066719406 /nfs/dbraw/zinc/71/94/06/1066719406.db2.gz CLHMBIMATLVRHW-IRFCIJBXSA-N 0 0 455.396 4.905 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001456911260 1066719470 /nfs/dbraw/zinc/71/94/70/1066719470.db2.gz DFVVXDISSJWDEF-AWEZNQCLSA-N 0 0 457.518 4.938 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC001456911805 1066719620 /nfs/dbraw/zinc/71/96/20/1066719620.db2.gz GMBYPRRXQBKQHC-QTJNJRLBSA-N 0 0 458.274 4.775 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)ccn1 ZINC001446551645 1066720141 /nfs/dbraw/zinc/72/01/41/1066720141.db2.gz GWPDZNBGJYTQKA-PKTZIBPZSA-N 0 0 453.583 4.615 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC001446552130 1066720193 /nfs/dbraw/zinc/72/01/93/1066720193.db2.gz IZGWIMGHAONKJW-SDHOMARFSA-N 0 0 450.579 4.540 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC001456913087 1066720252 /nfs/dbraw/zinc/72/02/52/1066720252.db2.gz IHCNWRZESANQEL-QWRGUYRKSA-N 0 0 457.465 4.622 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001492636334 1066720400 /nfs/dbraw/zinc/72/04/00/1066720400.db2.gz QMEHLFGMPFSRRM-NRFANRHFSA-N 0 0 489.414 4.739 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001492636335 1066720531 /nfs/dbraw/zinc/72/05/31/1066720531.db2.gz QMEHLFGMPFSRRM-OAQYLSRUSA-N 0 0 489.414 4.739 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)n1 ZINC001492636362 1066720661 /nfs/dbraw/zinc/72/06/61/1066720661.db2.gz BQTBTEUMNNLILQ-AWEZNQCLSA-N 0 0 493.559 4.663 20 0 JJADRN CC[C@@H](NC(=O)c1cc(C)ccc1I)c1nc(C(F)(F)F)cs1 ZINC001456917617 1066720671 /nfs/dbraw/zinc/72/06/71/1066720671.db2.gz OYGGEMYCGNFJKU-LLVKDONJSA-N 0 0 454.255 4.956 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001456916670 1066720717 /nfs/dbraw/zinc/72/07/17/1066720717.db2.gz KYVQDJPVVFFVBQ-VGSWGCGISA-N 0 0 451.567 4.591 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446564555 1066721092 /nfs/dbraw/zinc/72/10/92/1066721092.db2.gz GVHUGKYPSHEIDW-MGPUTAFESA-N 0 0 450.938 4.876 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H]2C(C)C)n1 ZINC001492636456 1066721093 /nfs/dbraw/zinc/72/10/93/1066721093.db2.gz DCQLEXCIADKBQM-JXFKEZNVSA-N 0 0 473.668 4.542 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001456917688 1066721161 /nfs/dbraw/zinc/72/11/61/1066721161.db2.gz QBKRRYGLXQMFOV-UHFFFAOYSA-N 0 0 450.808 4.876 20 0 JJADRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001446566267 1066721320 /nfs/dbraw/zinc/72/13/20/1066721320.db2.gz LBXMBCLFEDOAEM-YWZLYKJASA-N 0 0 458.580 4.860 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCOC[C@@H]2C)n1 ZINC001492636400 1066721268 /nfs/dbraw/zinc/72/12/68/1066721268.db2.gz CICFFRGNSUEITQ-HOCLYGCPSA-N 0 0 476.444 4.810 20 0 JJADRN Cc1coc(C)c1Cn1c(CCc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492636496 1066721725 /nfs/dbraw/zinc/72/17/25/1066721725.db2.gz SAKVWGNXBRQYDW-JOCHJYFZSA-N 0 0 479.625 4.672 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCC2(F)F)CCO1 ZINC001546085607 1066721882 /nfs/dbraw/zinc/72/18/82/1066721882.db2.gz OPFSJIQTGXISON-KUHUBIRLSA-N 0 0 472.378 4.867 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492636852 1066722107 /nfs/dbraw/zinc/72/21/07/1066722107.db2.gz GZCMDNBTPKCHGH-DGQTTZFYSA-N 0 0 469.655 4.811 20 0 JJADRN Cc1coc(C)c1Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492636689 1066722203 /nfs/dbraw/zinc/72/22/03/1066722203.db2.gz WAINHCLULHNALK-AFMDSPMNSA-N 0 0 452.599 4.817 20 0 JJADRN C[C@@H]1CN(C(=O)CCCCc2ccc(I)cc2)c2ccc(F)cc2O1 ZINC001456920494 1066722245 /nfs/dbraw/zinc/72/22/45/1066722245.db2.gz WGDDLIVMPVXGCI-CQSZACIVSA-N 0 0 453.295 4.957 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)C1 ZINC001456919703 1066722347 /nfs/dbraw/zinc/72/23/47/1066722347.db2.gz JZJVZPNXKMIGRY-PMACEKPBSA-N 0 0 454.636 4.833 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCOC2)n1 ZINC001492637047 1066722639 /nfs/dbraw/zinc/72/26/39/1066722639.db2.gz KABOBWDUGVRKNE-DGCLKSJQSA-N 0 0 468.446 4.563 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2F)cc1 ZINC001456921476 1066722760 /nfs/dbraw/zinc/72/27/60/1066722760.db2.gz DPSPGEWBGWJTOF-QHCPKHFHSA-N 0 0 455.505 4.602 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC001456922032 1066722998 /nfs/dbraw/zinc/72/29/98/1066722998.db2.gz NFVMNASTMJXELG-INIZCTEOSA-N 0 0 453.516 4.743 20 0 JJADRN CO[C@@H](CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccc(Cl)cc1 ZINC001456922241 1066723042 /nfs/dbraw/zinc/72/30/42/1066723042.db2.gz PYKLUTLZZRAIRT-IBGZPJMESA-N 0 0 459.015 4.682 20 0 JJADRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446583427 1066723436 /nfs/dbraw/zinc/72/34/36/1066723436.db2.gz IAPYBGMVONPRPT-BLLLJJGKSA-N 0 0 457.905 4.907 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c1 ZINC001446580829 1066723518 /nfs/dbraw/zinc/72/35/18/1066723518.db2.gz KWSYQVKKRJDWGA-UHFFFAOYSA-N 0 0 450.608 4.955 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H](C)C2)n1 ZINC001492637427 1066723450 /nfs/dbraw/zinc/72/34/50/1066723450.db2.gz RCSUCNQETDBBPD-JKSUJKDBSA-N 0 0 473.046 4.666 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1 ZINC001456924526 1066723505 /nfs/dbraw/zinc/72/35/05/1066723505.db2.gz QSQZAMWQNMQTGC-UHFFFAOYSA-N 0 0 450.438 4.939 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)OC2CCCC2)n1 ZINC001492637434 1066723561 /nfs/dbraw/zinc/72/35/61/1066723561.db2.gz RGQSNDCSGYHUCS-GFCCVEGCSA-N 0 0 465.421 4.915 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)OC2CCCC2)n1 ZINC001492637435 1066723586 /nfs/dbraw/zinc/72/35/86/1066723586.db2.gz RGQSNDCSGYHUCS-LBPRGKRZSA-N 0 0 465.421 4.915 20 0 JJADRN C[C@](CO)(NC(=O)CCOc1ccccc1-c1ccccc1)c1cccc(Br)c1 ZINC001456928191 1066723919 /nfs/dbraw/zinc/72/39/19/1066723919.db2.gz LXHXRZXPXKOTMF-XMMPIXPASA-N 0 0 454.364 4.909 20 0 JJADRN CO[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001456927445 1066723951 /nfs/dbraw/zinc/72/39/51/1066723951.db2.gz XPMZDHBIVUGQCD-GBSSLUMBSA-N 0 0 451.007 4.863 20 0 JJADRN O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1Cl ZINC001446586118 1066724087 /nfs/dbraw/zinc/72/40/87/1066724087.db2.gz SBYMVPDPURPOLX-UHFFFAOYSA-N 0 0 455.601 4.825 20 0 JJADRN O=C(Nn1cc(Br)cn1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001446587916 1066724176 /nfs/dbraw/zinc/72/41/76/1066724176.db2.gz BTDLGNKYRVQXSI-UHFFFAOYSA-N 0 0 455.081 4.723 20 0 JJADRN CO[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(Cl)cc1 ZINC001456928968 1066724458 /nfs/dbraw/zinc/72/44/58/1066724458.db2.gz ZJZPRTHBGBXNCT-HNNXBMFYSA-N 0 0 459.255 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC001446592995 1066724504 /nfs/dbraw/zinc/72/45/04/1066724504.db2.gz PJQLVMNJWZOLDQ-RBZQAINGSA-N 0 0 450.579 4.600 20 0 JJADRN C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](c2ccccc2)CO1 ZINC001456930084 1066724541 /nfs/dbraw/zinc/72/45/41/1066724541.db2.gz AIJRSNNWTCIELM-UGSOOPFHSA-N 0 0 453.174 4.743 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@H](C)CC(=O)c3cccs3)cc2)c1 ZINC001446599747 1066725183 /nfs/dbraw/zinc/72/51/83/1066725183.db2.gz AENGBXFBRRLGAC-QGZVFWFLSA-N 0 0 457.573 4.524 20 0 JJADRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(Br)ncc1Br ZINC001456935579 1066725529 /nfs/dbraw/zinc/72/55/29/1066725529.db2.gz IUZDPFUACRSROW-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1scnc1C)Oc1ccccc1F ZINC001545987710 1066725554 /nfs/dbraw/zinc/72/55/54/1066725554.db2.gz VWQGMNZKLDVBOZ-ROUUACIJSA-N 0 0 459.591 4.570 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OCCC(C)C)CC2)n1 ZINC001492638346 1066726089 /nfs/dbraw/zinc/72/60/89/1066726089.db2.gz GCHSUZCTBNZMTO-GOSISDBHSA-N 0 0 485.702 4.740 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1scnc1C)Oc1ccccc1F ZINC001545987711 1066726137 /nfs/dbraw/zinc/72/61/37/1066726137.db2.gz VWQGMNZKLDVBOZ-ZWKOTPCHSA-N 0 0 459.591 4.570 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001446619866 1066726245 /nfs/dbraw/zinc/72/62/45/1066726245.db2.gz VIMBOTNVKRPSDC-FUHWJXTLSA-N 0 0 450.339 4.816 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492638468 1066726453 /nfs/dbraw/zinc/72/64/53/1066726453.db2.gz GHQWJVZSXBVZQK-PBHICJAKSA-N 0 0 463.554 4.588 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC001456943022 1066726920 /nfs/dbraw/zinc/72/69/20/1066726920.db2.gz RSCZRVRSPAPSCL-UHFFFAOYSA-N 0 0 457.864 4.870 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@H](C)Oc2ccc(C)cc2)cc1OCC ZINC001456940492 1066727094 /nfs/dbraw/zinc/72/70/94/1066727094.db2.gz BCAMAXWZAMMGAO-INIZCTEOSA-N 0 0 450.373 4.681 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492638642 1066726963 /nfs/dbraw/zinc/72/69/63/1066726963.db2.gz JBOMLSGJBZZZTQ-NVXWUHKLSA-N 0 0 496.578 4.649 20 0 JJADRN CCOC(=O)CC[C@H]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001446637800 1066727136 /nfs/dbraw/zinc/72/71/36/1066727136.db2.gz OENAEXUQRMODRE-MRXNPFEDSA-N 0 0 452.979 4.811 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492638699 1066727053 /nfs/dbraw/zinc/72/70/53/1066727053.db2.gz JNJSBTAHARSZBN-GHTZIAJQSA-N 0 0 453.656 4.883 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 ZINC001456945993 1066727462 /nfs/dbraw/zinc/72/74/62/1066727462.db2.gz ZUMTUWCTFHPSMQ-IBGZPJMESA-N 0 0 459.514 4.592 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(F)cccc2Cl)CCO1 ZINC001546085730 1066727503 /nfs/dbraw/zinc/72/75/03/1066727503.db2.gz RCNXVYWREKGPLK-HXUWFJFHSA-N 0 0 482.785 4.882 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001456945721 1066727564 /nfs/dbraw/zinc/72/75/64/1066727564.db2.gz YKKNAACESHNPSA-QHCPKHFHSA-N 0 0 450.485 4.909 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC001492638908 1066727662 /nfs/dbraw/zinc/72/76/62/1066727662.db2.gz JZRPNYNLOWUGKD-GOSISDBHSA-N 0 0 498.672 4.927 20 0 JJADRN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc1)CCC2 ZINC001446640139 1066727809 /nfs/dbraw/zinc/72/78/09/1066727809.db2.gz FSJZXFXYDJWBOL-FQEVSTJZSA-N 0 0 459.568 4.507 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492639245 1066728043 /nfs/dbraw/zinc/72/80/43/1066728043.db2.gz MTRGZVQEVVOSLC-FUHWJXTLSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492639244 1066728079 /nfs/dbraw/zinc/72/80/79/1066728079.db2.gz MTRGZVQEVVOSLC-AEFFLSMTSA-N 0 0 474.675 4.807 20 0 JJADRN C[C@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC001456950019 1066728191 /nfs/dbraw/zinc/72/81/91/1066728191.db2.gz ICVZTGKZAFOAIQ-NRFANRHFSA-N 0 0 452.558 4.736 20 0 JJADRN Cc1ccc(O[C@@H](C)CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 ZINC001456950863 1066728303 /nfs/dbraw/zinc/72/83/03/1066728303.db2.gz WPYBAUKMYMGARB-INIZCTEOSA-N 0 0 454.368 4.629 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2Cc2sc(C)nc2C)CCO1 ZINC001546085745 1066728328 /nfs/dbraw/zinc/72/83/28/1066728328.db2.gz RKALIANBOCSNBO-IBGZPJMESA-N 0 0 482.473 4.896 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1csc2ccccc21 ZINC001456951954 1066728775 /nfs/dbraw/zinc/72/87/75/1066728775.db2.gz LRMXFWFXXIJUAY-HNNXBMFYSA-N 0 0 456.614 4.932 20 0 JJADRN CN(C[C@@H](O)c1cccnc1)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001456950969 1066728795 /nfs/dbraw/zinc/72/87/95/1066728795.db2.gz PEGPELNSVZKXFD-MRXNPFEDSA-N 0 0 450.391 4.982 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC001456953350 1066729103 /nfs/dbraw/zinc/72/91/03/1066729103.db2.gz INGFGISIGSZPGB-UHFFFAOYSA-N 0 0 453.535 4.832 20 0 JJADRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001446654196 1066729274 /nfs/dbraw/zinc/72/92/74/1066729274.db2.gz SFKYICIPBOTGHX-IBGZPJMESA-N 0 0 450.539 4.548 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(Cc3ccco3)C(C)C)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492639624 1066729295 /nfs/dbraw/zinc/72/92/95/1066729295.db2.gz RLZLYWWWRFWXPT-UUOWRZLLSA-N 0 0 473.643 4.895 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)c1 ZINC001446651595 1066729425 /nfs/dbraw/zinc/72/94/25/1066729425.db2.gz CHODYJBDOHRJLQ-UHFFFAOYSA-N 0 0 455.917 4.902 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492639914 1066729675 /nfs/dbraw/zinc/72/96/75/1066729675.db2.gz RVUMQPIGRSUCKF-AWEZNQCLSA-N 0 0 499.994 4.637 20 0 JJADRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1SC(F)(F)F ZINC001456958897 1066729777 /nfs/dbraw/zinc/72/97/77/1066729777.db2.gz MALHYTKEMCFZSU-KRWDZBQOSA-N 0 0 456.555 4.775 20 0 JJADRN CC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O)c1ccc(F)cc1 ZINC001446654561 1066729782 /nfs/dbraw/zinc/72/97/82/1066729782.db2.gz KLOWDMRHCQKQBR-LJQANCHMSA-N 0 0 451.498 4.834 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446659366 1066729880 /nfs/dbraw/zinc/72/98/80/1066729880.db2.gz LDIDSFFZPVWQHJ-VQTJNVASSA-N 0 0 452.433 4.698 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC001492640019 1066730267 /nfs/dbraw/zinc/73/02/67/1066730267.db2.gz VSFJGDGHWQIXAF-INIZCTEOSA-N 0 0 472.684 4.506 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccccc2-c2cn[nH]c2)cc1 ZINC001446662524 1066730313 /nfs/dbraw/zinc/73/03/13/1066730313.db2.gz RVQQPDMHUJWWDP-UHFFFAOYSA-N 0 0 450.539 4.552 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 ZINC001446659835 1066730359 /nfs/dbraw/zinc/73/03/59/1066730359.db2.gz YBEPWUBIAIGJAW-UHFFFAOYSA-N 0 0 457.530 4.970 20 0 JJADRN O=C(N1CCC(OC[C@@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001446665950 1066730881 /nfs/dbraw/zinc/73/08/81/1066730881.db2.gz YPXSAVUGILRLNX-GOSISDBHSA-N 0 0 450.417 4.695 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(NC(=O)C(C)C)CC2)n1 ZINC001492640398 1066731144 /nfs/dbraw/zinc/73/11/44/1066731144.db2.gz XCJFZFUHOBDGFP-SFHVURJKSA-N 0 0 466.655 4.563 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC001456964978 1066731215 /nfs/dbraw/zinc/73/12/15/1066731215.db2.gz VSVQGPCELUKGEV-HNAYVOBHSA-N 0 0 458.559 4.569 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC001456964975 1066731263 /nfs/dbraw/zinc/73/12/63/1066731263.db2.gz VSVQGPCELUKGEV-BEFAXECRSA-N 0 0 458.559 4.569 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC001446695306 1066731323 /nfs/dbraw/zinc/73/13/23/1066731323.db2.gz DCSAQKPTMGSBHN-QHCPKHFHSA-N 0 0 453.380 4.939 20 0 JJADRN CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001446693732 1066731424 /nfs/dbraw/zinc/73/14/24/1066731424.db2.gz CHGMFHXCZSSPJG-UHFFFAOYSA-N 0 0 454.408 4.684 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001446697687 1066731728 /nfs/dbraw/zinc/73/17/28/1066731728.db2.gz BHLYEDYKZHIJQI-SFHVURJKSA-N 0 0 455.381 4.968 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001446697685 1066731787 /nfs/dbraw/zinc/73/17/87/1066731787.db2.gz BHLYEDYKZHIJQI-GOSISDBHSA-N 0 0 455.381 4.968 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492641218 1066732257 /nfs/dbraw/zinc/73/22/57/1066732257.db2.gz CZYZNMJPJPSBCS-RXFWQSSRSA-N 0 0 496.681 4.703 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccccc3C)CCO2)n1 ZINC001492640696 1066732297 /nfs/dbraw/zinc/73/22/97/1066732297.db2.gz AVLWHBYISPOSSH-ICSRJNTNSA-N 0 0 455.628 4.694 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001456967326 1066732386 /nfs/dbraw/zinc/73/23/86/1066732386.db2.gz DRNPRHCNMRARKM-MHECFPHRSA-N 0 0 450.023 4.771 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001446704222 1066732264 /nfs/dbraw/zinc/73/22/64/1066732264.db2.gz YHEMTYRFBIVSLE-QFIPXVFZSA-N 0 0 450.608 4.895 20 0 JJADRN O=C(Cc1cc2ccccc2c(=O)[nH]1)Nc1nc(Cc2ccccc2Br)cs1 ZINC001446703930 1066732342 /nfs/dbraw/zinc/73/23/42/1066732342.db2.gz WFRXWCSBJUTLTD-UHFFFAOYSA-N 0 0 454.349 4.931 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N[C@H](CO)c1cccc(Br)c1)ccc2Br ZINC001446706031 1066732402 /nfs/dbraw/zinc/73/24/02/1066732402.db2.gz ZLODDOKZLNOLAM-MRXNPFEDSA-N 0 0 453.130 4.730 20 0 JJADRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001446708949 1066732895 /nfs/dbraw/zinc/73/28/95/1066732895.db2.gz BGMNSJKLQDKCHO-UHFFFAOYSA-N 0 0 455.301 4.758 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@H](CO)c3c(F)cccc3F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001446706444 1066733015 /nfs/dbraw/zinc/73/30/15/1066733015.db2.gz LAASJIPPFFAZRT-OAQYLSRUSA-N 0 0 454.477 4.631 20 0 JJADRN CCc1nnc(N2CCN(c3cccc(C)c3C)CC2)n1Cc1cc(Br)cs1 ZINC001546527330 1066733535 /nfs/dbraw/zinc/73/35/35/1066733535.db2.gz BMMCQIOIRINFOY-UHFFFAOYSA-N 0 0 460.445 4.656 20 0 JJADRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1OCc1ccccc1 ZINC001446712554 1066733602 /nfs/dbraw/zinc/73/36/02/1066733602.db2.gz GZEOLQXFMHKSNB-UHFFFAOYSA-N 0 0 452.308 4.540 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC001446714102 1066733637 /nfs/dbraw/zinc/73/36/37/1066733637.db2.gz SLHSNDBXSNSNCT-RBUKOAKNSA-N 0 0 472.950 4.597 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C(=O)N1c1ccccc1 ZINC001456977228 1066733949 /nfs/dbraw/zinc/73/39/49/1066733949.db2.gz PICGOGZKQSOAGT-IFXJQAMLSA-N 0 0 453.951 4.578 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1 ZINC001446716637 1066734213 /nfs/dbraw/zinc/73/42/13/1066734213.db2.gz VOOILPYOHGUDAK-NRFANRHFSA-N 0 0 459.955 4.620 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492641490 1066734344 /nfs/dbraw/zinc/73/43/44/1066734344.db2.gz GQOBULCOCSLVDU-QGZVFWFLSA-N 0 0 462.664 4.639 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(=O)N(C)C)C2)n1 ZINC001492641354 1066734378 /nfs/dbraw/zinc/73/43/78/1066734378.db2.gz FFPRDJWOQYITIK-GOSISDBHSA-N 0 0 473.046 4.616 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC001456978945 1066734570 /nfs/dbraw/zinc/73/45/70/1066734570.db2.gz PRUYZKQYSCYTCC-AUUYWEPGSA-N 0 0 455.967 4.608 20 0 JJADRN CC(=O)c1ccc(CCNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 ZINC001446727704 1066734675 /nfs/dbraw/zinc/73/46/75/1066734675.db2.gz GJLNDGMYTAHVIZ-UHFFFAOYSA-N 0 0 450.332 4.855 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3nc(C(C)(C)C)cs3)CCO2)n1 ZINC001492641669 1066734815 /nfs/dbraw/zinc/73/48/15/1066734815.db2.gz NOZLRGYWQUBBAH-OAHLLOKOSA-N 0 0 460.673 4.721 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3C[C@H](C)CN(C)c4ccccc43)cc2)c(C)c1Br ZINC001456983285 1066735465 /nfs/dbraw/zinc/73/54/65/1066735465.db2.gz MKGXMPWWTCXEBD-OAHLLOKOSA-N 0 0 453.384 4.984 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4cccnc4)n3CCCCOC(C)C)C2)n1 ZINC001492641975 1066735445 /nfs/dbraw/zinc/73/54/45/1066735445.db2.gz LGKWOBOHBHMYFL-OAQYLSRUSA-N 0 0 454.644 4.618 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOCC(F)F)C2)n1 ZINC001492642073 1066735476 /nfs/dbraw/zinc/73/54/76/1066735476.db2.gz LZORXKOEBVKXIN-ZHALLVOQSA-N 0 0 483.629 4.627 20 0 JJADRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)CCc1cc(Cl)ccc1Br ZINC001456982253 1066735647 /nfs/dbraw/zinc/73/56/47/1066735647.db2.gz XAMDYGOWGVTROQ-UHFFFAOYSA-N 0 0 451.169 4.731 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546085958 1066735857 /nfs/dbraw/zinc/73/58/57/1066735857.db2.gz WAKULKIQBSPJEA-ZHRRBRCNSA-N 0 0 485.620 4.631 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC001446754759 1066736343 /nfs/dbraw/zinc/73/63/43/1066736343.db2.gz OSGJPNXGRSDMKR-OAQYLSRUSA-N 0 0 455.624 4.728 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001446758400 1066736370 /nfs/dbraw/zinc/73/63/70/1066736370.db2.gz MDTOTCNXPLABIN-GIVPXCGWSA-N 0 0 454.533 4.719 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCCC(F)(F)F)C2)n1 ZINC001492642374 1066736458 /nfs/dbraw/zinc/73/64/58/1066736458.db2.gz OLWWHZRKQVHOEV-LAUBAEHRSA-N 0 0 487.592 4.810 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1I)c1cccc(Oc2ccccc2)c1 ZINC001456986869 1066736464 /nfs/dbraw/zinc/73/64/64/1066736464.db2.gz RGUUNHSIFCZWAI-FQEVSTJZSA-N 0 0 459.283 4.547 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1I)c1cccc(Oc2ccccc2)c1 ZINC001456986876 1066736493 /nfs/dbraw/zinc/73/64/93/1066736493.db2.gz RGUUNHSIFCZWAI-HXUWFJFHSA-N 0 0 459.283 4.547 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001456988476 1066736519 /nfs/dbraw/zinc/73/65/19/1066736519.db2.gz AFNWHDYGZUGGPH-JOCHJYFZSA-N 0 0 454.567 4.850 20 0 JJADRN CCCc1c(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cnn1-c1cccc(F)c1 ZINC001446762164 1066736877 /nfs/dbraw/zinc/73/68/77/1066736877.db2.gz YEYORDRRFMNZCL-UHFFFAOYSA-N 0 0 455.555 4.933 20 0 JJADRN COc1ccc(Br)c(CC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001456992047 1066737429 /nfs/dbraw/zinc/73/74/29/1066737429.db2.gz VRQSBJZVQBTLTR-HNNXBMFYSA-N 0 0 451.792 4.559 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccccc1F ZINC001545989333 1066737449 /nfs/dbraw/zinc/73/74/49/1066737449.db2.gz DTIYTMSLPSSPNQ-QZTJIDSGSA-N 0 0 470.511 4.948 20 0 JJADRN Cc1csc(CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C(C)C)CC2)n1 ZINC001492643647 1066737514 /nfs/dbraw/zinc/73/75/14/1066737514.db2.gz POSWQXKWPPNFMB-UHFFFAOYSA-N 0 0 486.711 4.930 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001456995191 1066737947 /nfs/dbraw/zinc/73/79/47/1066737947.db2.gz QOEHRUDHFQBZFU-UHFFFAOYSA-N 0 0 451.519 4.566 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(=O)N(C)Cc3ccccc3)C2)n1 ZINC001492643072 1066738213 /nfs/dbraw/zinc/73/82/13/1066738213.db2.gz YKVVETSUKWVSCS-OAQYLSRUSA-N 0 0 480.682 4.674 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4ccsc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492643075 1066738301 /nfs/dbraw/zinc/73/83/01/1066738301.db2.gz YMASTEPKQICNSF-KRWDZBQOSA-N 0 0 484.617 4.573 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c1 ZINC001446786874 1066738551 /nfs/dbraw/zinc/73/85/51/1066738551.db2.gz OYAAUKFOCOZJLI-CMTIAEDTSA-N 0 0 457.574 4.861 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492643200 1066738634 /nfs/dbraw/zinc/73/86/34/1066738634.db2.gz BMSYMGKQEYQIFF-RUZDIDTESA-N 0 0 475.703 4.979 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)nnc1-c1cccc(C)c1 ZINC001446784995 1066738656 /nfs/dbraw/zinc/73/86/56/1066738656.db2.gz BIROATYCIYIFPJ-GCJKJVERSA-N 0 0 450.608 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)Cc2cc(Cl)ccc2Br)C1 ZINC001457002752 1066739030 /nfs/dbraw/zinc/73/90/30/1066739030.db2.gz QXAQALWWVZWAFF-FQEVSTJZSA-N 0 0 457.796 4.647 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCC(F)(F)F)CCO1 ZINC001546086100 1066739146 /nfs/dbraw/zinc/73/91/46/1066739146.db2.gz YVTZNEPWYUEELM-LJQANCHMSA-N 0 0 480.503 4.847 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c1 ZINC001446786879 1066739022 /nfs/dbraw/zinc/73/90/22/1066739022.db2.gz OYAAUKFOCOZJLI-RGSZASNESA-N 0 0 457.574 4.861 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cnn(Cc3ccccc3)c2Br)c1 ZINC001446787255 1066739033 /nfs/dbraw/zinc/73/90/33/1066739033.db2.gz KMDJLSXHLCNWMK-HRAATJIYSA-N 0 0 454.368 4.926 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCCC(C)(C)COC)CCO1 ZINC001546086106 1066739164 /nfs/dbraw/zinc/73/91/64/1066739164.db2.gz YXQWVFOVEACVMX-QFIPXVFZSA-N 0 0 482.467 4.504 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c1 ZINC001457006130 1066739608 /nfs/dbraw/zinc/73/96/08/1066739608.db2.gz HSFPOULTPBVTOV-RXVVDRJESA-N 0 0 450.501 4.988 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 ZINC001446789313 1066739621 /nfs/dbraw/zinc/73/96/21/1066739621.db2.gz NTLPBBLCMKCTST-GAJHUEQPSA-N 0 0 450.608 4.903 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(NC(=O)c4ccsc4)CC3)nnc2C(C)(C)C)n1 ZINC001492643609 1066739685 /nfs/dbraw/zinc/73/96/85/1066739685.db2.gz OCXJXULWVDOZGZ-UHFFFAOYSA-N 0 0 486.711 4.824 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccncc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC001492643593 1066739794 /nfs/dbraw/zinc/73/97/94/1066739794.db2.gz NMJGHLJJWBMHJB-CALCHBBNSA-N 0 0 460.598 4.779 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001457007715 1066739986 /nfs/dbraw/zinc/73/99/86/1066739986.db2.gz IWDZNPBWIJAALV-WTNAPCKOSA-N 0 0 453.583 4.818 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2nc(Br)ccc2Br)c1 ZINC001446789687 1066740125 /nfs/dbraw/zinc/74/01/25/1066740125.db2.gz QCTAKYZIOXMBSX-ABAIWWIYSA-N 0 0 454.162 4.839 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)n1 ZINC001492643842 1066740132 /nfs/dbraw/zinc/74/01/32/1066740132.db2.gz SIIRCOYYMYPPHJ-UHFFFAOYSA-N 0 0 471.656 4.611 20 0 JJADRN Cc1csc(CCCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCSCC2)n1 ZINC001492643793 1066740260 /nfs/dbraw/zinc/74/02/60/1066740260.db2.gz CZONFLODQVICNB-KRWDZBQOSA-N 0 0 461.632 4.898 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1C(F)(F)F ZINC001457008677 1066740505 /nfs/dbraw/zinc/74/05/05/1066740505.db2.gz JVDWPDVZOVAFKR-MRXNPFEDSA-N 0 0 454.514 4.761 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC001457009347 1066740620 /nfs/dbraw/zinc/74/06/20/1066740620.db2.gz MRDIDLBAGNSZDB-WINIVTDRSA-N 0 0 452.595 4.726 20 0 JJADRN O=C(COc1ccc(I)cc1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446794869 1066741096 /nfs/dbraw/zinc/74/10/96/1066741096.db2.gz OPLCGWRQWNSGCZ-HNNXBMFYSA-N 0 0 453.295 4.605 20 0 JJADRN O=C(COc1cccc(I)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446794812 1066741180 /nfs/dbraw/zinc/74/11/80/1066741180.db2.gz NWQVGIKPTAPLDG-OAHLLOKOSA-N 0 0 453.295 4.605 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001545989584 1066741248 /nfs/dbraw/zinc/74/12/48/1066741248.db2.gz IDWZMGZWPHBQGT-DLBZAZTESA-N 0 0 482.000 4.514 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC001446798668 1066741260 /nfs/dbraw/zinc/74/12/60/1066741260.db2.gz BXHCLKDDPUMICO-NSHDSACASA-N 0 0 456.167 4.632 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)o1 ZINC001457010806 1066741242 /nfs/dbraw/zinc/74/12/42/1066741242.db2.gz MODGGGCEVSCVDU-XHDPSFHLSA-N 0 0 458.349 4.507 20 0 JJADRN COc1ccc([C@H](NC(=O)C/C=C\c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011148 1066741608 /nfs/dbraw/zinc/74/16/08/1066741608.db2.gz DOTRMGSQSFYXAG-ADNUHSQQSA-N 0 0 453.535 4.547 20 0 JJADRN CCc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1CC ZINC001457013092 1066742359 /nfs/dbraw/zinc/74/23/59/1066742359.db2.gz IBGBVHLACDYWMG-RUZDIDTESA-N 0 0 451.588 4.743 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)n1 ZINC001492644410 1066742212 /nfs/dbraw/zinc/74/22/12/1066742212.db2.gz NHTRTKXXJAUTMZ-UHFFFAOYSA-N 0 0 482.654 4.648 20 0 JJADRN Cc1cc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cnc1N1CCCC[C@H]1C ZINC001446804144 1066742378 /nfs/dbraw/zinc/74/23/78/1066742378.db2.gz XEVAFEACXHCTON-HSJQUHBMSA-N 0 0 455.562 4.573 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)C2=O)cc1 ZINC001457013759 1066742792 /nfs/dbraw/zinc/74/27/92/1066742792.db2.gz RIPLKLWCJVBCSY-PGRDOPGGSA-N 0 0 451.567 4.506 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1OC ZINC001457013447 1066742912 /nfs/dbraw/zinc/74/29/12/1066742912.db2.gz VJVRZMVJOBNLOQ-MRXNPFEDSA-N 0 0 452.599 4.996 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nn2c1nc(C)cc2C ZINC001446806375 1066742890 /nfs/dbraw/zinc/74/28/90/1066742890.db2.gz DMXJHDXVEXBCJX-FQEVSTJZSA-N 0 0 459.516 4.804 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492644629 1066743211 /nfs/dbraw/zinc/74/32/11/1066743211.db2.gz UUOFTXJAPDNIGF-INIZCTEOSA-N 0 0 493.475 4.686 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001457015314 1066743424 /nfs/dbraw/zinc/74/34/24/1066743424.db2.gz WIFCHGXRGOKVRW-JOCHJYFZSA-N 0 0 453.674 4.744 20 0 JJADRN Cc1c(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nnn1-c1ccc(F)c(F)c1 ZINC001457014835 1066743483 /nfs/dbraw/zinc/74/34/83/1066743483.db2.gz CMEHYCQRTHWFDP-CYBMUJFWSA-N 0 0 457.481 4.692 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1ccc(OC)cc1Br ZINC001446810142 1066743524 /nfs/dbraw/zinc/74/35/24/1066743524.db2.gz BTBXTKMASGALDZ-AAIZFQIRSA-N 0 0 467.404 4.694 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)ccc1OC(C)C ZINC001446810538 1066743553 /nfs/dbraw/zinc/74/35/53/1066743553.db2.gz YNNYBXPRFISLNI-FQEVSTJZSA-N 0 0 457.445 4.542 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001457015952 1066743983 /nfs/dbraw/zinc/74/39/83/1066743983.db2.gz FETACQPQSDDDTE-ZDUSSCGKSA-N 0 0 458.287 4.642 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492644919 1066744451 /nfs/dbraw/zinc/74/44/51/1066744451.db2.gz FRQQFRXFFHPYJA-BWKNWUBXSA-N 0 0 475.703 4.979 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001457018466 1066744419 /nfs/dbraw/zinc/74/44/19/1066744419.db2.gz LYQMQUISGQRAPH-DYESRHJHSA-N 0 0 455.555 4.568 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(Br)c1 ZINC001446816922 1066744421 /nfs/dbraw/zinc/74/44/21/1066744421.db2.gz YKZBBJQYBCWXPA-DYVFJYSZSA-N 0 0 455.393 4.671 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC001446817451 1066744596 /nfs/dbraw/zinc/74/45/96/1066744596.db2.gz YASRKJPCZPIUIM-ROUUACIJSA-N 0 0 453.471 4.699 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001492645029 1066744909 /nfs/dbraw/zinc/74/49/09/1066744909.db2.gz IJZZUDMUAHGZOG-WOJBJXKFSA-N 0 0 467.639 4.826 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC001457021081 1066745578 /nfs/dbraw/zinc/74/55/78/1066745578.db2.gz MEILVXFESGVSLD-UHFFFAOYSA-N 0 0 456.502 4.675 20 0 JJADRN CCC(CC)(CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)SC ZINC001457020332 1066745596 /nfs/dbraw/zinc/74/55/96/1066745596.db2.gz PGVMBZZYKVXGSF-UHFFFAOYSA-N 0 0 459.008 4.932 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001492645228 1066745515 /nfs/dbraw/zinc/74/55/15/1066745515.db2.gz OQYYNCYTYQTFGH-IEBWSBKVSA-N 0 0 488.057 4.683 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2)c1 ZINC001492645299 1066745933 /nfs/dbraw/zinc/74/59/33/1066745933.db2.gz RFTNYSVPCBBQPQ-UHFFFAOYSA-N 0 0 478.647 4.865 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](F)c2ccc(Br)cc2)c1 ZINC001492645463 1066745976 /nfs/dbraw/zinc/74/59/76/1066745976.db2.gz WVNVEDQQNKOIDM-GOSISDBHSA-N 0 0 494.434 4.896 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCCC2)c1 ZINC001492645558 1066746387 /nfs/dbraw/zinc/74/63/87/1066746387.db2.gz ZYUHYZIHFUVZOW-QGZVFWFLSA-N 0 0 471.602 4.609 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001457024165 1066746444 /nfs/dbraw/zinc/74/64/44/1066746444.db2.gz YHAYJUAAWRWTCV-NVXWUHKLSA-N 0 0 457.958 4.917 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(C)COCCO2)c1 ZINC001492645608 1066746480 /nfs/dbraw/zinc/74/64/80/1066746480.db2.gz BZNGSFMQIUMPDF-JOCHJYFZSA-N 0 0 491.455 4.828 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccccc1C ZINC001457024787 1066746504 /nfs/dbraw/zinc/74/65/04/1066746504.db2.gz FMLMDPMAIXOUML-INIZCTEOSA-N 0 0 456.283 4.783 20 0 JJADRN Cc1sc(Cl)nc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457024002 1066746511 /nfs/dbraw/zinc/74/65/11/1066746511.db2.gz COPPNYFTSZGRIL-QGZVFWFLSA-N 0 0 455.388 4.681 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457024008 1066746529 /nfs/dbraw/zinc/74/65/29/1066746529.db2.gz COYKZNRRYIUTOH-OAHLLOKOSA-N 0 0 451.369 4.712 20 0 JJADRN Cc1cc(Br)c(O)c(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001446838154 1066746686 /nfs/dbraw/zinc/74/66/86/1066746686.db2.gz BMSFIHZOJMWBIF-KRWDZBQOSA-N 0 0 453.764 4.900 20 0 JJADRN Cc1cc(Br)c(O)c(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001446838158 1066746738 /nfs/dbraw/zinc/74/67/38/1066746738.db2.gz BMSFIHZOJMWBIF-QGZVFWFLSA-N 0 0 453.764 4.900 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC001446846136 1066747266 /nfs/dbraw/zinc/74/72/66/1066747266.db2.gz FRESOQNLBFABKY-MRXNPFEDSA-N 0 0 450.486 4.512 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2Nc2ccc(F)cc2)c(C)c1 ZINC001446843880 1066747383 /nfs/dbraw/zinc/74/73/83/1066747383.db2.gz IQOSDFLERXKYTJ-UHFFFAOYSA-N 0 0 455.555 4.802 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)c1 ZINC001492645799 1066747606 /nfs/dbraw/zinc/74/76/06/1066747606.db2.gz JLSPJUQAPKCVSQ-BXKMTCNYSA-N 0 0 473.643 4.734 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)c1 ZINC001492645926 1066748023 /nfs/dbraw/zinc/74/80/23/1066748023.db2.gz OHZRIZBDXZHUIM-QHCPKHFHSA-N 0 0 453.999 4.908 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001446850038 1066748423 /nfs/dbraw/zinc/74/84/23/1066748423.db2.gz RWBOHGLMCZTFCQ-UHFFFAOYSA-N 0 0 456.608 4.520 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3cccc(NCc4ccccn4)c3)CC2)CC1 ZINC001457031091 1066748424 /nfs/dbraw/zinc/74/84/24/1066748424.db2.gz FOISYSXWTRVSLG-UHFFFAOYSA-N 0 0 450.583 4.603 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC001457030484 1066748553 /nfs/dbraw/zinc/74/85/53/1066748553.db2.gz SSXFGDQNCTVDIM-USAHVSHJSA-N 0 0 455.023 4.881 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 ZINC001457032628 1066748562 /nfs/dbraw/zinc/74/85/62/1066748562.db2.gz CJYXXIVQMSMEBJ-QGZVFWFLSA-N 0 0 455.146 4.941 20 0 JJADRN O=C(CCOc1ccccc1Br)N1CCc2cc(Br)cc(F)c2C1 ZINC001446853828 1066748764 /nfs/dbraw/zinc/74/87/64/1066748764.db2.gz FFFMGHWNRGSBEN-UHFFFAOYSA-N 0 0 457.137 4.705 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)CC2 ZINC001446854557 1066748946 /nfs/dbraw/zinc/74/89/46/1066748946.db2.gz HBOFECULMPMJGW-QZTJIDSGSA-N 0 0 451.405 4.582 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)CC2 ZINC001446857279 1066749001 /nfs/dbraw/zinc/74/90/01/1066749001.db2.gz QCLZJSRHSLXPRP-MJGOQNOKSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2Nc2c(F)cccc2F)cc1C ZINC001446861487 1066749322 /nfs/dbraw/zinc/74/93/22/1066749322.db2.gz QRPUYGHXDVLDGK-UHFFFAOYSA-N 0 0 459.518 4.632 20 0 JJADRN CCc1cnccc1[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001446864722 1066749431 /nfs/dbraw/zinc/74/94/31/1066749431.db2.gz GINSTLSHAOLCGK-CQSZACIVSA-N 0 0 456.340 4.672 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001446864351 1066749512 /nfs/dbraw/zinc/74/95/12/1066749512.db2.gz ADDWITKDNSJJEJ-ORAYPTAESA-N 0 0 455.356 4.618 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001492646187 1066749434 /nfs/dbraw/zinc/74/94/34/1066749434.db2.gz YTIBGMWJJAORFA-GOSISDBHSA-N 0 0 470.643 4.849 20 0 JJADRN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001446861142 1066749575 /nfs/dbraw/zinc/74/95/75/1066749575.db2.gz NGSRARIYBAECGQ-UHFFFAOYSA-N 0 0 452.461 4.560 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001457038078 1066749884 /nfs/dbraw/zinc/74/98/84/1066749884.db2.gz XAMLSWRQDICHCB-AUUYWEPGSA-N 0 0 451.336 4.957 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001457037185 1066749927 /nfs/dbraw/zinc/74/99/27/1066749927.db2.gz LBNPXNIBDAXEAN-UHFFFAOYSA-N 0 0 451.324 4.621 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001446865435 1066750023 /nfs/dbraw/zinc/75/00/23/1066750023.db2.gz CYWPEVQMSAJAGT-DCLXLUIPSA-N 0 0 454.998 4.866 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001457038006 1066750024 /nfs/dbraw/zinc/75/00/24/1066750024.db2.gz WVMKEPKQOVFSAJ-ZFXZZAOISA-N 0 0 456.671 4.744 20 0 JJADRN Cc1cc(SCC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001457036322 1066750116 /nfs/dbraw/zinc/75/01/16/1066750116.db2.gz SLRMRYBCHSKWCZ-HNNXBMFYSA-N 0 0 457.434 4.626 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001446865452 1066750110 /nfs/dbraw/zinc/75/01/10/1066750110.db2.gz CYWPEVQMSAJAGT-YOSAUDMPSA-N 0 0 454.998 4.866 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001492646974 1066750346 /nfs/dbraw/zinc/75/03/46/1066750346.db2.gz BPEUMLOVXJETQZ-UHFFFAOYSA-N 0 0 473.697 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1(F)F ZINC001446873638 1066750488 /nfs/dbraw/zinc/75/04/88/1066750488.db2.gz XMINVQDBHXPASS-IAGOWNOFSA-N 0 0 462.459 4.817 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)CC2)nc(C)n1 ZINC001457054518 1066751572 /nfs/dbraw/zinc/75/15/72/1066751572.db2.gz SNHXSNNAABWVEN-DEOSSOPVSA-N 0 0 450.583 4.851 20 0 JJADRN CN1CCN(C(=O)CCCCc2ccc(I)cc2)c2cc(F)ccc21 ZINC001457051241 1066751664 /nfs/dbraw/zinc/75/16/64/1066751664.db2.gz CNMDUTMOYRVKMD-UHFFFAOYSA-N 0 0 452.311 4.626 20 0 JJADRN CC1(C)CCCN(C(=O)Cc2cc(Br)cc(I)c2)CC1 ZINC001457052678 1066751717 /nfs/dbraw/zinc/75/17/17/1066751717.db2.gz LHMYTIAUXQYLCL-UHFFFAOYSA-N 0 0 450.158 4.635 20 0 JJADRN Cc1cc(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001446878086 1066751870 /nfs/dbraw/zinc/75/18/70/1066751870.db2.gz JALREKFONBUPRR-KRWDZBQOSA-N 0 0 457.333 4.631 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)c1 ZINC001492647655 1066751914 /nfs/dbraw/zinc/75/19/14/1066751914.db2.gz SDJNXNMPAMPXDI-QGZVFWFLSA-N 0 0 466.529 4.930 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(Br)ccc1I ZINC001457059286 1066752066 /nfs/dbraw/zinc/75/20/66/1066752066.db2.gz DNSXROFDNPSQIE-WBVHZDCISA-N 0 0 456.121 4.514 20 0 JJADRN COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001457058875 1066752218 /nfs/dbraw/zinc/75/22/18/1066752218.db2.gz KNISSPALCAIACC-HKBOAZHASA-N 0 0 452.551 4.544 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c2ccc(F)cc2)c1 ZINC001457056175 1066752243 /nfs/dbraw/zinc/75/22/43/1066752243.db2.gz HKWUAWXMHICGTA-ZRBLBEILSA-N 0 0 457.954 4.892 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1 ZINC001492647881 1066752364 /nfs/dbraw/zinc/75/23/64/1066752364.db2.gz ZQCAUUFQLWHASC-RUZDIDTESA-N 0 0 489.686 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC001492647833 1066752381 /nfs/dbraw/zinc/75/23/81/1066752381.db2.gz XZVPZYBQILPAFI-UHFFFAOYSA-N 0 0 489.649 4.848 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492647747 1066752546 /nfs/dbraw/zinc/75/25/46/1066752546.db2.gz VQPRXBCEIZNXJB-KRWDZBQOSA-N 0 0 469.602 4.821 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C1(CC)CC ZINC001457059683 1066752664 /nfs/dbraw/zinc/75/26/64/1066752664.db2.gz ZAUHPPOMEJNVGO-STQMWFEESA-N 0 0 453.723 4.797 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cnc(CC(C)(C)C)s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457060621 1066752747 /nfs/dbraw/zinc/75/27/47/1066752747.db2.gz AAOQPKNQCHLZHO-QFIPXVFZSA-N 0 0 456.633 4.963 20 0 JJADRN COc1ccc(CN(C(=O)c2[nH]nc(C)c2Br)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001446882102 1066752834 /nfs/dbraw/zinc/75/28/34/1066752834.db2.gz RMEIHJUOILDNMY-XJKSGUPXSA-N 0 0 450.377 4.719 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cn2)nnc1-c1ccccc1 ZINC001457060990 1066752999 /nfs/dbraw/zinc/75/29/99/1066752999.db2.gz VGDLAPAMYIJHFL-UWJYYQICSA-N 0 0 451.596 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1NC(=O)c1ccccc1Cl)C2 ZINC001457061960 1066753006 /nfs/dbraw/zinc/75/30/06/1066753006.db2.gz LJLODNNLEPYYPS-BVGQSLNGSA-N 0 0 475.998 4.924 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001457063392 1066753060 /nfs/dbraw/zinc/75/30/60/1066753060.db2.gz QDJDKQAUCGYIDV-IKGGRYGDSA-N 0 0 465.472 4.939 20 0 JJADRN COc1ccc(CN(C(=O)c2cc3c(C)nn(C)c3nc2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001446882790 1066753245 /nfs/dbraw/zinc/75/32/45/1066753245.db2.gz TYTRUZSZQUVTDF-AOMKIAJQSA-N 0 0 450.583 4.823 20 0 JJADRN Cc1cc(NC(=O)c2ccc3[nH]c(C(C)(C)CO)nc3c2)nn1-c1ccc(Cl)cc1Cl ZINC001446885352 1066753843 /nfs/dbraw/zinc/75/38/43/1066753843.db2.gz ZGJRATDLLAHYIS-UHFFFAOYSA-N 0 0 458.349 4.886 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)c1 ZINC001492648463 1066754622 /nfs/dbraw/zinc/75/46/22/1066754622.db2.gz XGJWXHCQJQXSHL-OTWHNJEPSA-N 0 0 475.659 4.624 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001457069144 1066754813 /nfs/dbraw/zinc/75/48/13/1066754813.db2.gz KUNXNKZKTNISPJ-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN COc1cc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001446901517 1066754852 /nfs/dbraw/zinc/75/48/52/1066754852.db2.gz WGPKMXCSGZYQDK-RUZDIDTESA-N 0 0 455.913 4.800 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(C(F)(F)F)s2)c2ccc(F)cc2)c1 ZINC001457070757 1066755157 /nfs/dbraw/zinc/75/51/57/1066755157.db2.gz YWCJWIHJRRENAX-SFHVURJKSA-N 0 0 457.470 4.829 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 ZINC001457071810 1066755246 /nfs/dbraw/zinc/75/52/46/1066755246.db2.gz IUGPRDUXAKOYMP-UHFFFAOYSA-N 0 0 456.340 4.646 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446906444 1066755217 /nfs/dbraw/zinc/75/52/17/1066755217.db2.gz VYMIYOIFAAZHEU-NEPJUHHUSA-N 0 0 451.778 4.882 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001446906031 1066755368 /nfs/dbraw/zinc/75/53/68/1066755368.db2.gz DJLUZKNLZJFCHG-OALUTQOASA-N 0 0 458.624 4.638 20 0 JJADRN CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC001457073599 1066755717 /nfs/dbraw/zinc/75/57/17/1066755717.db2.gz WLMPYAACTDCPDV-PMERELPUSA-N 0 0 450.004 4.559 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)c3cc4c(ccc(C)c4Br)[nH]3)oc2c1 ZINC001457072667 1066755775 /nfs/dbraw/zinc/75/57/75/1066755775.db2.gz VNCXUUYOSRTJBH-UHFFFAOYSA-N 0 0 455.308 4.744 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492649258 1066756013 /nfs/dbraw/zinc/75/60/13/1066756013.db2.gz WDOVCNJZWVUWRQ-KRWDZBQOSA-N 0 0 480.407 4.521 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545990606 1066755885 /nfs/dbraw/zinc/75/58/85/1066755885.db2.gz VKYNMLKIIKLHIL-MQSCRBSSSA-N 0 0 483.657 4.717 20 0 JJADRN C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908598 1066755896 /nfs/dbraw/zinc/75/58/96/1066755896.db2.gz KEVNEZFSGJAUSE-CABCVRRESA-N 0 0 452.967 4.584 20 0 JJADRN Cc1cc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)sc2cc1F ZINC001457077385 1066756113 /nfs/dbraw/zinc/75/61/13/1066756113.db2.gz AGJDURLMHNWEFW-UHFFFAOYSA-N 0 0 459.499 4.936 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(Br)c1 ZINC001457076019 1066756222 /nfs/dbraw/zinc/75/62/22/1066756222.db2.gz OQLZARKIOLDMJO-OAQYLSRUSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)cc12 ZINC001457076012 1066756240 /nfs/dbraw/zinc/75/62/40/1066756240.db2.gz OPMLYZUEHWYTIT-CYBMUJFWSA-N 0 0 456.921 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3cccnc3N3CCCCC3)cc2CC1 ZINC001446913914 1066756476 /nfs/dbraw/zinc/75/64/76/1066756476.db2.gz NKBRLTGNNMFMKA-UHFFFAOYSA-N 0 0 450.583 4.660 20 0 JJADRN Cc1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457077808 1066756831 /nfs/dbraw/zinc/75/68/31/1066756831.db2.gz QQTSXNXCUCSRCM-NRFANRHFSA-N 0 0 458.377 4.680 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001446927349 1066757025 /nfs/dbraw/zinc/75/70/25/1066757025.db2.gz RAVULATZUPYFCT-JOCHJYFZSA-N 0 0 458.599 4.938 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)[nH]n1 ZINC001446927478 1066757052 /nfs/dbraw/zinc/75/70/52/1066757052.db2.gz MUNUGPWGRQHKRO-UHFFFAOYSA-N 0 0 459.502 4.582 20 0 JJADRN O=C(NCc1cc(OCC(F)F)ccn1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001446918320 1066757088 /nfs/dbraw/zinc/75/70/88/1066757088.db2.gz LERKADIBNBVSEI-UHFFFAOYSA-N 0 0 457.424 4.722 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c1 ZINC001446921559 1066757127 /nfs/dbraw/zinc/75/71/27/1066757127.db2.gz FNZZFNXFQXDSQF-UHFFFAOYSA-N 0 0 451.367 4.992 20 0 JJADRN Cc1csc(Cn2c(-c3ccccn3)nnc2N(C)CCc2ccc(Br)cc2)n1 ZINC001492649683 1066756986 /nfs/dbraw/zinc/75/69/86/1066756986.db2.gz LWWHTMGQQZYKKP-UHFFFAOYSA-N 0 0 469.412 4.595 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCC2CC2)n1 ZINC001492649556 1066757093 /nfs/dbraw/zinc/75/70/93/1066757093.db2.gz HXZUUPCGHQFSRE-UHFFFAOYSA-N 0 0 450.381 4.896 20 0 JJADRN CC(C)(C)n1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1=O ZINC001457079705 1066757165 /nfs/dbraw/zinc/75/71/65/1066757165.db2.gz UHIGXFIRAJMXRC-JOCHJYFZSA-N 0 0 452.938 4.547 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H](C)CSC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079685 1066757321 /nfs/dbraw/zinc/75/73/21/1066757321.db2.gz TVGNYAWZCXKZKJ-LIRRHRJNSA-N 0 0 459.555 4.747 20 0 JJADRN C[C@H](N1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1)C(F)(F)F ZINC001457081722 1066757335 /nfs/dbraw/zinc/75/73/35/1066757335.db2.gz WMXNMALXZCVWQR-WLVMFVESSA-N 0 0 454.439 4.924 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001492649978 1066757437 /nfs/dbraw/zinc/75/74/37/1066757437.db2.gz WLESLSVHCRFMDB-ABAIWWIYSA-N 0 0 475.899 4.707 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c1 ZINC001446929500 1066757471 /nfs/dbraw/zinc/75/74/71/1066757471.db2.gz WGZHWPKNGPAOMG-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN Cc1csc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC001492650781 1066757909 /nfs/dbraw/zinc/75/79/09/1066757909.db2.gz ULVTYABQSIWSOT-UHFFFAOYSA-N 0 0 476.503 4.871 20 0 JJADRN Cc1csc(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1 ZINC001492650545 1066757921 /nfs/dbraw/zinc/75/79/21/1066757921.db2.gz NJYPVCLOMHPRBF-BXUZGUMPSA-N 0 0 457.472 4.595 20 0 JJADRN Cc1csc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)OC2CCCC2)n1 ZINC001492650443 1066757968 /nfs/dbraw/zinc/75/79/68/1066757968.db2.gz KUZMNQPHSZPDFV-KRWDZBQOSA-N 0 0 476.647 4.516 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546086903 1066758265 /nfs/dbraw/zinc/75/82/65/1066758265.db2.gz AXLUJHOEWDZPLM-ZOYWYXQUSA-N 0 0 460.688 4.795 20 0 JJADRN Cc1csc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2csc(Br)c2)n1 ZINC001492651295 1066758484 /nfs/dbraw/zinc/75/84/84/1066758484.db2.gz LFSJIFIRUSLIPO-UHFFFAOYSA-N 0 0 475.441 4.538 20 0 JJADRN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC001446955487 1066758555 /nfs/dbraw/zinc/75/85/55/1066758555.db2.gz FVCHXUMQKGQDCM-IBGZPJMESA-N 0 0 459.970 4.979 20 0 JJADRN O=C(Oc1ccc(-c2cscn2)cc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001457086515 1066758570 /nfs/dbraw/zinc/75/85/70/1066758570.db2.gz BDGRCYVFOGFUOJ-IBGZPJMESA-N 0 0 457.349 4.783 20 0 JJADRN Cc1csc(Cn2c(CCCc3ccccc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)n1 ZINC001492651641 1066758895 /nfs/dbraw/zinc/75/88/95/1066758895.db2.gz XWVTUWHZDYQMSZ-UHFFFAOYSA-N 0 0 496.681 4.571 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)Nc3cccc(SC)c3C)c2)c1 ZINC001446964475 1066759175 /nfs/dbraw/zinc/75/91/75/1066759175.db2.gz UFOYTAVFNLHCFK-UHFFFAOYSA-N 0 0 452.532 4.944 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)ccc2NC1=O ZINC001457090471 1066759186 /nfs/dbraw/zinc/75/91/86/1066759186.db2.gz JTUMZTYWQGBXFW-OXQOHEQNSA-N 0 0 452.551 4.503 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)c2ccco2)n1 ZINC001492651732 1066759273 /nfs/dbraw/zinc/75/92/73/1066759273.db2.gz ARRYUXSWDCSIPY-SJORKVTESA-N 0 0 472.615 4.954 20 0 JJADRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001457089913 1066759289 /nfs/dbraw/zinc/75/92/89/1066759289.db2.gz GLUMOJJHMVHPIQ-HUUCEWRRSA-N 0 0 457.294 4.747 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC001457093763 1066759719 /nfs/dbraw/zinc/75/97/19/1066759719.db2.gz HMCWYZSLUFUSLL-QHCPKHFHSA-N 0 0 453.583 4.513 20 0 JJADRN Cc1csc(N2CCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C(C)C)CC2)n1 ZINC001492652257 1066759906 /nfs/dbraw/zinc/75/99/06/1066759906.db2.gz CBTHYHRDYRNDHA-UHFFFAOYSA-N 0 0 472.634 4.770 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001446969462 1066759946 /nfs/dbraw/zinc/75/99/46/1066759946.db2.gz FQTXWWZUCQIRJI-WOJBJXKFSA-N 0 0 454.615 4.846 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001446966137 1066759963 /nfs/dbraw/zinc/75/99/63/1066759963.db2.gz JNJWWQHENKYYCO-RBUKOAKNSA-N 0 0 458.546 4.626 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N3CC(=O)N(C(C)C)C(C)(C)C3)c(-c3ccc(C)cc3)n2)cc1 ZINC001457094474 1066760384 /nfs/dbraw/zinc/76/03/84/1066760384.db2.gz AEWUVARRKZQBID-UHFFFAOYSA-N 0 0 458.606 4.687 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)CC2)n1 ZINC001492652803 1066760832 /nfs/dbraw/zinc/76/08/32/1066760832.db2.gz NAOGOIFSCDLFJP-UHFFFAOYSA-N 0 0 493.052 4.830 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001492653222 1066761265 /nfs/dbraw/zinc/76/12/65/1066761265.db2.gz BIRJCTAOCDELRL-HYHKQLJDSA-N 0 0 465.648 4.617 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C12CCCCC2 ZINC001457098637 1066761361 /nfs/dbraw/zinc/76/13/61/1066761361.db2.gz AJUFWJADYBDPMK-ZEQRLZLVSA-N 0 0 455.643 4.537 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001446983211 1066761291 /nfs/dbraw/zinc/76/12/91/1066761291.db2.gz FPFSHTCIABXAMD-HUUCEWRRSA-N 0 0 450.004 4.862 20 0 JJADRN Cc1csc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCOCCC(C)C)CC2)n1 ZINC001492653121 1066761506 /nfs/dbraw/zinc/76/15/06/1066761506.db2.gz XZALBFISJWAHSZ-UHFFFAOYSA-N 0 0 489.089 4.677 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C2=O ZINC001446987293 1066761894 /nfs/dbraw/zinc/76/18/94/1066761894.db2.gz LSBASYNVZUSUGD-FPDPHYFHSA-N 0 0 458.480 4.793 20 0 JJADRN O=C(NCc1ccccc1N1CCCCC1)c1cc(Br)ncc1Br ZINC001446988006 1066761934 /nfs/dbraw/zinc/76/19/34/1066761934.db2.gz HKSKSLQEUBJEMU-UHFFFAOYSA-N 0 0 453.178 4.527 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC001457099692 1066761885 /nfs/dbraw/zinc/76/18/85/1066761885.db2.gz RGEFZYBRGFSYMI-UHFFFAOYSA-N 0 0 454.514 4.997 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC001457100577 1066761973 /nfs/dbraw/zinc/76/19/73/1066761973.db2.gz VDXHHXONVUGTSS-UHFFFAOYSA-N 0 0 458.558 4.886 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 ZINC001546087293 1066762295 /nfs/dbraw/zinc/76/22/95/1066762295.db2.gz JSGBYBIPDYGPAQ-OAQYLSRUSA-N 0 0 469.870 4.604 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCCCO ZINC001492653701 1066762332 /nfs/dbraw/zinc/76/23/32/1066762332.db2.gz FANKRNIUBGBENM-UHFFFAOYSA-N 0 0 467.408 4.864 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001492653844 1066762508 /nfs/dbraw/zinc/76/25/08/1066762508.db2.gz ONXBRZJYHQQZCX-UHFFFAOYSA-N 0 0 464.538 4.861 20 0 JJADRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989575 1066762597 /nfs/dbraw/zinc/76/25/97/1066762597.db2.gz VDZIVBFJCBGINY-XUZZJYLKSA-N 0 0 458.624 4.818 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492653910 1066762985 /nfs/dbraw/zinc/76/29/85/1066762985.db2.gz IHZZOEAWDDRTHV-IBGZPJMESA-N 0 0 482.654 4.842 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001446991398 1066763049 /nfs/dbraw/zinc/76/30/49/1066763049.db2.gz NPNQAIRBIDFTGD-ACRUOGEOSA-N 0 0 452.595 4.901 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)c2ccccc21 ZINC001457105489 1066763483 /nfs/dbraw/zinc/76/34/83/1066763483.db2.gz ZAUGIQDZGISZQZ-PGRDOPGGSA-N 0 0 456.583 4.640 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCOC1 ZINC001492654455 1066763904 /nfs/dbraw/zinc/76/39/04/1066763904.db2.gz UNPWRUFLBVGVRJ-CYBMUJFWSA-N 0 0 453.431 4.660 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(C(C)(C)C)co1)c1ccccc1Br ZINC001457105533 1066763983 /nfs/dbraw/zinc/76/39/83/1066763983.db2.gz ZLXDRBLKAJNRJI-OAHLLOKOSA-N 0 0 452.349 4.939 20 0 JJADRN CC(C)(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001446996889 1066763925 /nfs/dbraw/zinc/76/39/25/1066763925.db2.gz OBPXISRNLNOBIH-RRPNLBNLSA-N 0 0 459.586 4.795 20 0 JJADRN CC(C)(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001446996894 1066763940 /nfs/dbraw/zinc/76/39/40/1066763940.db2.gz OBPXISRNLNOBIH-SVBPBHIXSA-N 0 0 459.586 4.795 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492654689 1066764236 /nfs/dbraw/zinc/76/42/36/1066764236.db2.gz ZDENCUBMNXZNMD-GOSISDBHSA-N 0 0 453.612 4.809 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)n1 ZINC001457111152 1066764351 /nfs/dbraw/zinc/76/43/51/1066764351.db2.gz HGQHVLXMXLAAMF-UHFFFAOYSA-N 0 0 454.781 4.749 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001457111054 1066764421 /nfs/dbraw/zinc/76/44/21/1066764421.db2.gz LKLKGYPLDZQVAG-JOCHJYFZSA-N 0 0 450.966 4.861 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001447002315 1066764473 /nfs/dbraw/zinc/76/44/73/1066764473.db2.gz FJUYNVHFXQSEKC-AWEZNQCLSA-N 0 0 459.399 4.764 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(Cc2ccccc2)C1)c1ccccc1Br ZINC001446998983 1066764501 /nfs/dbraw/zinc/76/45/01/1066764501.db2.gz WBEUAUTZNTZTAG-FQEVSTJZSA-N 0 0 459.384 4.716 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001457113671 1066765353 /nfs/dbraw/zinc/76/53/53/1066765353.db2.gz OCOWSCOYWQGYPQ-JENIJYKNSA-N 0 0 453.608 4.898 20 0 JJADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447011609 1066765441 /nfs/dbraw/zinc/76/54/41/1066765441.db2.gz LJESZLPKYAVWSZ-FXAWDEMLSA-N 0 0 454.514 4.508 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC001447010015 1066765519 /nfs/dbraw/zinc/76/55/19/1066765519.db2.gz NYRBZPQEWXYXBA-UHFFFAOYSA-N 0 0 453.351 4.583 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492655180 1066765740 /nfs/dbraw/zinc/76/57/40/1066765740.db2.gz MGJJZYWPZUNHCK-OKILXGFUSA-N 0 0 477.476 4.844 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492655184 1066765750 /nfs/dbraw/zinc/76/57/50/1066765750.db2.gz MHZFWYHNNCPVPJ-BETUJISGSA-N 0 0 463.449 4.834 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC001546087377 1066765979 /nfs/dbraw/zinc/76/59/79/1066765979.db2.gz KWMQJHBVKQTEAX-NYUJMHJJSA-N 0 0 472.630 4.563 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC001447013944 1066766164 /nfs/dbraw/zinc/76/61/64/1066766164.db2.gz VMIGSUZJIHLSRI-UZLBHIALSA-N 0 0 451.567 4.564 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccc(OCc3nc(C)no3)nc2)cc1 ZINC001457119864 1066766386 /nfs/dbraw/zinc/76/63/86/1066766386.db2.gz CBIUTPBTIYMMBO-QGZVFWFLSA-N 0 0 458.518 4.861 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC001457119148 1066766491 /nfs/dbraw/zinc/76/64/91/1066766491.db2.gz DSUNSTJQNHHSBP-UHFFFAOYSA-N 0 0 451.592 4.945 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492655645 1066766860 /nfs/dbraw/zinc/76/68/60/1066766860.db2.gz VHIRQDPNUCNAMM-INIZCTEOSA-N 0 0 465.595 4.804 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)cc2)n1 ZINC001457121691 1066767181 /nfs/dbraw/zinc/76/71/81/1066767181.db2.gz FKLVKDFSKGHSMB-UHFFFAOYSA-N 0 0 457.486 4.707 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCc1cnccn1 ZINC001492655780 1066767417 /nfs/dbraw/zinc/76/74/17/1066767417.db2.gz NHOBYDWPPIHSQD-UHFFFAOYSA-N 0 0 499.438 4.507 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C)CC2)s1 ZINC001492655685 1066767426 /nfs/dbraw/zinc/76/74/26/1066767426.db2.gz WXCJCMAUJFWNGT-UHFFFAOYSA-N 0 0 477.476 4.989 20 0 JJADRN COC(=O)COc1cccc(C(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1 ZINC001457123726 1066767602 /nfs/dbraw/zinc/76/76/02/1066767602.db2.gz ZGNJPNCGYLAGEI-HSZRJFAPSA-N 0 0 457.498 4.758 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2nnc(C)s2)CCO1 ZINC001546087415 1066767614 /nfs/dbraw/zinc/76/76/14/1066767614.db2.gz LXSMYSYRGLXTEK-VWLOTQADSA-N 0 0 484.670 4.778 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2csc(C)n2)CCO1 ZINC001546087410 1066767674 /nfs/dbraw/zinc/76/76/74/1066767674.db2.gz LVZYPYQFCAAINQ-JOCHJYFZSA-N 0 0 462.019 4.620 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N(Cc1cccs1)Cc1ccncc1 ZINC001457126302 1066767693 /nfs/dbraw/zinc/76/76/93/1066767693.db2.gz NRTOVHXWXITHKK-UHFFFAOYSA-N 0 0 457.555 4.894 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492655794 1066767896 /nfs/dbraw/zinc/76/78/96/1066767896.db2.gz NYIUTLFVQLJMPM-XMSQKQJNSA-N 0 0 481.666 4.831 20 0 JJADRN O=C([C@@H]1CSC[C@H]1c1ccccc1)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001447027727 1066767937 /nfs/dbraw/zinc/76/79/37/1066767937.db2.gz KWDCDMNPOXTQSB-LEWJYISDSA-N 0 0 465.537 4.628 20 0 JJADRN Cc1occ(C(F)(F)F)c1C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001447034888 1066767950 /nfs/dbraw/zinc/76/79/50/1066767950.db2.gz XUGDIQPCAOMDME-UHFFFAOYSA-N 0 0 451.363 4.715 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCCc2nc(C)cs2)CCO1 ZINC001546087480 1066768114 /nfs/dbraw/zinc/76/81/14/1066768114.db2.gz NCGAVHHOLZHFSV-RUZDIDTESA-N 0 0 485.654 4.755 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC=CCO2)CCO1 ZINC001546087470 1066768249 /nfs/dbraw/zinc/76/82/49/1066768249.db2.gz MWSSYBQOZTUQAM-BVAGGSTKSA-N 0 0 454.615 4.720 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001492656103 1066768374 /nfs/dbraw/zinc/76/83/74/1066768374.db2.gz XECBFMABVHMYKM-NRFANRHFSA-N 0 0 489.686 4.757 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc[nH]3)nnc2N(C)CCCOc2ccccc2C)s1 ZINC001492656287 1066768382 /nfs/dbraw/zinc/76/83/82/1066768382.db2.gz CSJPBKZGNBDFBD-UHFFFAOYSA-N 0 0 450.612 4.803 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCC(n3cc(Cl)cn3)CC2)s1 ZINC001492656391 1066768457 /nfs/dbraw/zinc/76/84/57/1066768457.db2.gz GRQNCKCHKWYBFF-UHFFFAOYSA-N 0 0 462.067 4.874 20 0 JJADRN CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)N1CCO[C@@H](CC)C1 ZINC001447035109 1066768671 /nfs/dbraw/zinc/76/86/71/1066768671.db2.gz XYJDHSQGHKYDFU-XZOQPEGZSA-N 0 0 459.428 4.867 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 ZINC001447046183 1066768697 /nfs/dbraw/zinc/76/86/97/1066768697.db2.gz FJAIOLKMNUHQEA-YADHBBJMSA-N 0 0 457.615 4.941 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCNC(=O)C(C)C)CCO1 ZINC001546087502 1066768736 /nfs/dbraw/zinc/76/87/36/1066768736.db2.gz NIKJFGWTQQCFNT-RUZDIDTESA-N 0 0 485.629 4.590 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Nc2cnccn2)c1 ZINC001457130201 1066768808 /nfs/dbraw/zinc/76/88/08/1066768808.db2.gz BYBCCOHCPNVTIL-UHFFFAOYSA-N 0 0 453.877 4.810 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCCO)CC2)s1 ZINC001492656569 1066768949 /nfs/dbraw/zinc/76/89/49/1066768949.db2.gz CERVIVYVBIYDRK-IFMALSPDSA-N 0 0 475.703 4.502 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)s1 ZINC001492656560 1066768997 /nfs/dbraw/zinc/76/89/97/1066768997.db2.gz BZYDMILLNASBGL-UHFFFAOYSA-N 0 0 476.419 4.813 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC001457130882 1066769192 /nfs/dbraw/zinc/76/91/92/1066769192.db2.gz USAHIKBEGSPLMF-MRXNPFEDSA-N 0 0 459.514 4.991 20 0 JJADRN Cc1cccnc1[C@H](C)NC(=O)c1cc(I)cc(Br)c1C ZINC001457132542 1066769258 /nfs/dbraw/zinc/76/92/58/1066769258.db2.gz FFPUWHMFIFTXMF-NSHDSACASA-N 0 0 459.125 4.557 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(Cl)c2)s1 ZINC001492656758 1066769368 /nfs/dbraw/zinc/76/93/68/1066769368.db2.gz GLEHSIDHQCORTE-UHFFFAOYSA-N 0 0 453.015 4.870 20 0 JJADRN Cc1nc(C)c(CCn2c(CC3CCCC3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492656709 1066769398 /nfs/dbraw/zinc/76/93/98/1066769398.db2.gz DVQHYDCGAHTYHF-UHFFFAOYSA-N 0 0 488.702 4.632 20 0 JJADRN O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001447051818 1066769732 /nfs/dbraw/zinc/76/97/32/1066769732.db2.gz IXMPMDYFKJIBQH-UHFFFAOYSA-N 0 0 453.258 4.783 20 0 JJADRN Nc1c(Br)cccc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001457135251 1066770149 /nfs/dbraw/zinc/77/01/49/1066770149.db2.gz OIDPOANXEJLUAS-UHFFFAOYSA-N 0 0 454.699 4.621 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2c(CC)onc2-c2ccccc2Cl)CC1 ZINC001457136760 1066770465 /nfs/dbraw/zinc/77/04/65/1066770465.db2.gz UWOVTZAFQDFNMM-UHFFFAOYSA-N 0 0 454.901 4.998 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCc2nc(C(F)(F)F)cs2)CCO1 ZINC001546087090 1066770474 /nfs/dbraw/zinc/77/04/74/1066770474.db2.gz FYTQLUQDSSYMFN-IBGZPJMESA-N 0 0 455.506 4.570 20 0 JJADRN Cc1nc(C)c(CCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCCOCC2)s1 ZINC001492657116 1066770561 /nfs/dbraw/zinc/77/05/61/1066770561.db2.gz MGAXDAHRYDYHBQ-UHFFFAOYSA-N 0 0 490.073 4.794 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CCO1 ZINC001546087094 1066770870 /nfs/dbraw/zinc/77/08/70/1066770870.db2.gz GCNVKBRUZPZXDD-JOCHJYFZSA-N 0 0 462.381 4.731 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001457139913 1066770966 /nfs/dbraw/zinc/77/09/66/1066770966.db2.gz ZBLHAUNYXGSIDS-VWLOTQADSA-N 0 0 455.424 4.644 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492657661 1066771127 /nfs/dbraw/zinc/77/11/27/1066771127.db2.gz ZHUGYZBODNUQJA-UHFFFAOYSA-N 0 0 463.598 4.714 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)s1 ZINC001492657751 1066771523 /nfs/dbraw/zinc/77/15/23/1066771523.db2.gz ZBNOZJIOWVMZIK-UHFFFAOYSA-N 0 0 483.041 4.749 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545992423 1066771857 /nfs/dbraw/zinc/77/18/57/1066771857.db2.gz INPDLWSDGJMTPJ-SVMVAKDDSA-N 0 0 497.596 4.884 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3nn(C(C)C)c(=O)c4ccccc43)nnc2N(C)CCC(C)C)s1 ZINC001492657893 1066771883 /nfs/dbraw/zinc/77/18/83/1066771883.db2.gz FFCPJUMESCIJRT-UHFFFAOYSA-N 0 0 479.654 4.840 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3cc(-c4ccc(OC)cc4)c(C)s3)CC2)n1 ZINC001457143879 1066771997 /nfs/dbraw/zinc/77/19/97/1066771997.db2.gz MVBVLDLBHUBIAD-UHFFFAOYSA-N 0 0 451.592 4.925 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492658380 1066772478 /nfs/dbraw/zinc/77/24/78/1066772478.db2.gz QGYXSJPBLFJOPQ-RYUDHWBXSA-N 0 0 480.407 4.582 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCSC2)CCO1 ZINC001546087244 1066772632 /nfs/dbraw/zinc/77/26/32/1066772632.db2.gz ITWYFZWRRXQBJB-VFNWGFHPSA-N 0 0 483.451 4.995 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CSCCS2)CCO1 ZINC001546087251 1066772640 /nfs/dbraw/zinc/77/26/40/1066772640.db2.gz IVRJBWOXMVDWOP-DVECYGJZSA-N 0 0 492.711 4.595 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001447100972 1066772731 /nfs/dbraw/zinc/77/27/31/1066772731.db2.gz HEEWSGOUYVNVDZ-DVECYGJZSA-N 0 0 452.595 4.867 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccccc2Cl)s1 ZINC001492658401 1066773066 /nfs/dbraw/zinc/77/30/66/1066773066.db2.gz QTYVZMALIMNLMQ-UHFFFAOYSA-N 0 0 454.987 4.630 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2nc(C)no2)CCO1 ZINC001546087535 1066773042 /nfs/dbraw/zinc/77/30/42/1066773042.db2.gz NUOYMKPBGLVKHC-VWLOTQADSA-N 0 0 452.603 4.572 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)CC2)n1 ZINC001457146811 1066773055 /nfs/dbraw/zinc/77/30/55/1066773055.db2.gz ZLUVCCMCJGWLEH-NRFANRHFSA-N 0 0 459.590 4.624 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)s1 ZINC001492658570 1066773204 /nfs/dbraw/zinc/77/32/04/1066773204.db2.gz GXQMPAQWBHEHOW-QGZVFWFLSA-N 0 0 461.035 4.899 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492658766 1066773564 /nfs/dbraw/zinc/77/35/64/1066773564.db2.gz JXTDZLOUBRUSRF-UHFFFAOYSA-N 0 0 492.472 4.569 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccn3C)nnc2N(C)CCOc2ccc(Cl)cc2)s1 ZINC001492658632 1066773620 /nfs/dbraw/zinc/77/36/20/1066773620.db2.gz VDRLUELOYILLFL-UHFFFAOYSA-N 0 0 457.003 4.574 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492658714 1066773640 /nfs/dbraw/zinc/77/36/40/1066773640.db2.gz IHRRTLGCSJVSGK-HZPDHXFCSA-N 0 0 470.668 4.599 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492658838 1066773686 /nfs/dbraw/zinc/77/36/86/1066773686.db2.gz YETQQSRKJYOLPX-UHFFFAOYSA-N 0 0 450.612 4.866 20 0 JJADRN CCOC(=O)CC1(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001447104364 1066773746 /nfs/dbraw/zinc/77/37/46/1066773746.db2.gz PIGUXMJYSVRGNI-LJQANCHMSA-N 0 0 452.636 4.680 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N[C@@H](C)c3nc(-c4ccccc4OC)no3)on2)c1 ZINC001457150790 1066773721 /nfs/dbraw/zinc/77/37/21/1066773721.db2.gz RRVSVLBHZOZCNW-LBPRGKRZSA-N 0 0 454.870 4.553 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCSc1ccc(Cl)cc1 ZINC001457153938 1066773963 /nfs/dbraw/zinc/77/39/63/1066773963.db2.gz JNBAXCYKMGFHRQ-MJGOQNOKSA-N 0 0 457.036 4.743 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(SC)CC2)CCO1 ZINC001546087658 1066774108 /nfs/dbraw/zinc/77/41/08/1066774108.db2.gz QEQZIQSRNDDBPJ-HSZRJFAPSA-N 0 0 460.644 4.642 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492658947 1066774068 /nfs/dbraw/zinc/77/40/68/1066774068.db2.gz LLVHVSLNQNKWHZ-OAQYLSRUSA-N 0 0 482.654 4.520 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492658884 1066774232 /nfs/dbraw/zinc/77/42/32/1066774232.db2.gz KNAKOMXKQGLYNM-JKSUJKDBSA-N 0 0 459.591 4.683 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)s1 ZINC001447108113 1066774148 /nfs/dbraw/zinc/77/41/48/1066774148.db2.gz JCVDHRPQHMLALO-SWLSCSKDSA-N 0 0 456.349 4.823 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)s1 ZINC001447108097 1066774395 /nfs/dbraw/zinc/77/43/95/1066774395.db2.gz JCVDHRPQHMLALO-DOMZBBRYSA-N 0 0 456.349 4.823 20 0 JJADRN CCOC(=O)c1ccc(NCCNC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)nc1 ZINC001457155943 1066774557 /nfs/dbraw/zinc/77/45/57/1066774557.db2.gz PBUDBLOHLXJYCX-DJBVZIHJSA-N 0 0 476.404 4.992 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3ccc(Br)c(OC(F)(F)F)c3)CC2)cc1 ZINC001457154262 1066774613 /nfs/dbraw/zinc/77/46/13/1066774613.db2.gz CSEYSKVLJLJODW-UHFFFAOYSA-N 0 0 457.290 4.873 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)s1 ZINC001492659173 1066774789 /nfs/dbraw/zinc/77/47/89/1066774789.db2.gz SPTJWXJSLULOME-UHFFFAOYSA-N 0 0 462.410 4.743 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1 ZINC001457154129 1066774792 /nfs/dbraw/zinc/77/47/92/1066774792.db2.gz BWVONPHUIGPABJ-KRWDZBQOSA-N 0 0 452.551 4.772 20 0 JJADRN CC(C)c1c(C(=O)N2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cnn1-c1cccc(Cl)c1 ZINC001457155606 1066774825 /nfs/dbraw/zinc/77/48/25/1066774825.db2.gz YIEOCKGHWHEBPW-UHFFFAOYSA-N 0 0 458.990 4.732 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447110812 1066774894 /nfs/dbraw/zinc/77/48/94/1066774894.db2.gz MNNZCFRKVBWKFF-KRWDZBQOSA-N 0 0 455.723 4.996 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC2CCCC2)s1 ZINC001492659229 1066775306 /nfs/dbraw/zinc/77/53/06/1066775306.db2.gz VCTCMJUTICCNNS-UHFFFAOYSA-N 0 0 452.628 4.895 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659457 1066775688 /nfs/dbraw/zinc/77/56/88/1066775688.db2.gz BQVLWEOYGSSJDF-QAPCUYQASA-N 0 0 476.691 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001457159887 1066775842 /nfs/dbraw/zinc/77/58/42/1066775842.db2.gz CKLSIEIXRFQYIT-WMLDXEAASA-N 0 0 453.322 4.671 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)ccc1Cl ZINC001457160714 1066776503 /nfs/dbraw/zinc/77/65/03/1066776503.db2.gz SGOKDJDEJZZQNP-UHFFFAOYSA-N 0 0 458.942 4.599 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492659581 1066776486 /nfs/dbraw/zinc/77/64/86/1066776486.db2.gz FQYGVWRRRSWLSZ-UHFFFAOYSA-N 0 0 483.439 4.784 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N(C)C[C@@H](C)c2nccs2)s1 ZINC001492659824 1066776766 /nfs/dbraw/zinc/77/67/66/1066776766.db2.gz KTRTWQMRGXXNTH-MRXNPFEDSA-N 0 0 452.653 4.881 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(N4CCC(OCCC(C)C)CC4)nnc3C(C)(C)C)cc2)n[nH]1 ZINC001492659960 1066776918 /nfs/dbraw/zinc/77/69/18/1066776918.db2.gz FSENEXIICZGGTG-UHFFFAOYSA-N 0 0 465.646 4.749 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492659948 1066776967 /nfs/dbraw/zinc/77/69/67/1066776967.db2.gz FIZGUWNKVLKFFT-OKILXGFUSA-N 0 0 464.060 4.962 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492659839 1066776979 /nfs/dbraw/zinc/77/69/79/1066776979.db2.gz LMHIGPNZEVELKO-KRWDZBQOSA-N 0 0 462.623 4.549 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4cccc(OC(F)F)c4)C3)nc2)cc1 ZINC001447126394 1066776923 /nfs/dbraw/zinc/77/69/23/1066776923.db2.gz GXAJLSCOGLKDGU-QFIPXVFZSA-N 0 0 456.445 4.698 20 0 JJADRN COC(=O)[C@@H](CNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)Oc1ccc(F)cc1 ZINC001447136726 1066777347 /nfs/dbraw/zinc/77/73/47/1066777347.db2.gz IYLSTSFUZGBZGO-FGZHOGPDSA-N 0 0 457.498 4.535 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC001447133149 1066777430 /nfs/dbraw/zinc/77/74/30/1066777430.db2.gz OTMOTGAMHPROTQ-GOSISDBHSA-N 0 0 451.405 4.680 20 0 JJADRN COC(=O)[C@@H](CNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)Oc1ccc(F)cc1 ZINC001447136731 1066777541 /nfs/dbraw/zinc/77/75/41/1066777541.db2.gz IYLSTSFUZGBZGO-YADHBBJMSA-N 0 0 457.498 4.535 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492660419 1066777427 /nfs/dbraw/zinc/77/74/27/1066777427.db2.gz UTGPYCVZTPMACZ-UHFFFAOYSA-N 0 0 450.534 4.554 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)s1 ZINC001492660416 1066777480 /nfs/dbraw/zinc/77/74/80/1066777480.db2.gz USISXWSNZZGTRD-BETUJISGSA-N 0 0 467.536 4.996 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC001457165563 1066777448 /nfs/dbraw/zinc/77/74/48/1066777448.db2.gz PRVHTQQINNKFHG-HNNXBMFYSA-N 0 0 455.299 4.974 20 0 JJADRN O=C(Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)[C@@H]1CCCC12OCCO2 ZINC001447155217 1066778745 /nfs/dbraw/zinc/77/87/45/1066778745.db2.gz AIXCBMBZIXEOCQ-AWEZNQCLSA-N 0 0 453.283 4.953 20 0 JJADRN O=C(CCOC[C@@H]1CCCO1)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC001447160506 1066779246 /nfs/dbraw/zinc/77/92/46/1066779246.db2.gz NAZXQJFJSJMFQG-HNNXBMFYSA-N 0 0 455.299 4.995 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001457170136 1066779256 /nfs/dbraw/zinc/77/92/56/1066779256.db2.gz HHELILRNQVFJGB-NEPJUHHUSA-N 0 0 450.283 4.833 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546088024 1066779716 /nfs/dbraw/zinc/77/97/16/1066779716.db2.gz YHBOYAUDXZNTMM-FCHUYYIVSA-N 0 0 451.036 4.898 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@H]2CCCSC2)cs1 ZINC001492661140 1066779735 /nfs/dbraw/zinc/77/97/35/1066779735.db2.gz DLRZOZKGRAXOTO-FXAWDEMLSA-N 0 0 471.696 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@@H]2CCCSC2)cs1 ZINC001492661142 1066779803 /nfs/dbraw/zinc/77/98/03/1066779803.db2.gz DLRZOZKGRAXOTO-XLIONFOSSA-N 0 0 471.696 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CCC2CCOCC2)cs1 ZINC001492661134 1066779820 /nfs/dbraw/zinc/77/98/20/1066779820.db2.gz DHVOLQRLMJHXAR-GOSISDBHSA-N 0 0 469.655 4.614 20 0 JJADRN Cc1cn(CC(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)nc1C(F)(F)F ZINC001457171066 1066779799 /nfs/dbraw/zinc/77/97/99/1066779799.db2.gz QHLALWCNBYOPIE-UHFFFAOYSA-N 0 0 451.832 4.746 20 0 JJADRN COc1cc(Br)cc(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001447165355 1066779829 /nfs/dbraw/zinc/77/98/29/1066779829.db2.gz LGUYIOQKIGKEKO-CQSZACIVSA-N 0 0 458.139 4.756 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001457173603 1066780260 /nfs/dbraw/zinc/78/02/60/1066780260.db2.gz XGUUDBNUCLXRFD-UHFFFAOYSA-N 0 0 451.317 4.752 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2Cc2cccc(Br)n2)cs1 ZINC001492661451 1066780308 /nfs/dbraw/zinc/78/03/08/1066780308.db2.gz ILMQTFDKXAGTFJ-AWEZNQCLSA-N 0 0 499.438 4.743 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OC(F)(F)F)CCO1 ZINC001546088056 1066780283 /nfs/dbraw/zinc/78/02/83/1066780283.db2.gz YWFQCNFNPIOLQE-NRFANRHFSA-N 0 0 450.461 4.799 20 0 JJADRN C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2cccc(F)c2)no1 ZINC001457177116 1066780625 /nfs/dbraw/zinc/78/06/25/1066780625.db2.gz WFGBVQSUPPQNPE-CYBMUJFWSA-N 0 0 455.877 4.779 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1nc(-c2cccc(F)c2)no1 ZINC001457174201 1066780761 /nfs/dbraw/zinc/78/07/61/1066780761.db2.gz PIWXCQQJXKEXPL-CYBMUJFWSA-N 0 0 459.319 4.729 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@H](C)Oc4c(C)cc(Cl)cc4C)n3CC(C)C)CCO2)no1 ZINC001492661471 1066780849 /nfs/dbraw/zinc/78/08/49/1066780849.db2.gz BXQPLVYCJOLWNW-QFBILLFUSA-N 0 0 474.993 4.614 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2Cc2cccc(Br)n2)cs1 ZINC001492661453 1066780879 /nfs/dbraw/zinc/78/08/79/1066780879.db2.gz ILMQTFDKXAGTFJ-CQSZACIVSA-N 0 0 499.438 4.743 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001457180083 1066781347 /nfs/dbraw/zinc/78/13/47/1066781347.db2.gz URYGARSMUBGKNL-UHFFFAOYSA-N 0 0 454.306 4.719 20 0 JJADRN Cc1nc2cc(C(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)ccc2n1Cc1ccsc1 ZINC001447189213 1066781438 /nfs/dbraw/zinc/78/14/38/1066781438.db2.gz XJGFOZXUPZMXAO-HXUWFJFHSA-N 0 0 459.493 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2Cc2ccnc(OC(F)F)c2)cs1 ZINC001492662178 1066781726 /nfs/dbraw/zinc/78/17/26/1066781726.db2.gz PWPZDZRFHMQWAY-HNNXBMFYSA-N 0 0 470.549 4.876 20 0 JJADRN CCN(C(=O)c1ccc(Cn2cc(Cl)cn2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457183858 1066781776 /nfs/dbraw/zinc/78/17/76/1066781776.db2.gz DLCYGNTYYNJEFY-UHFFFAOYSA-N 0 0 453.008 4.508 20 0 JJADRN CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)CC1=O ZINC001447198662 1066781974 /nfs/dbraw/zinc/78/19/74/1066781974.db2.gz MDYMCACYPXVGDN-ZBFHGGJFSA-N 0 0 454.518 4.519 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2Cc2ncccc2C)cs1 ZINC001492662524 1066782311 /nfs/dbraw/zinc/78/23/11/1066782311.db2.gz VLHUUQMILKMTOR-SFHVURJKSA-N 0 0 462.623 4.549 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001447202935 1066782379 /nfs/dbraw/zinc/78/23/79/1066782379.db2.gz LHDZDMLWQUJCCI-HNNXBMFYSA-N 0 0 455.967 4.560 20 0 JJADRN C[C@@H](OC(=O)c1cc(I)ccc1F)c1nc2ccc(Cl)cc2n1C ZINC001457187567 1066782921 /nfs/dbraw/zinc/78/29/21/1066782921.db2.gz NQARACIMDYMTJX-SECBINFHSA-N 0 0 458.658 4.888 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CCO2)no1 ZINC001492662989 1066782934 /nfs/dbraw/zinc/78/29/34/1066782934.db2.gz PIYXMLAUKNNLEY-OXQOHEQNSA-N 0 0 472.565 4.653 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)NC2(CCOCc3ccccc3)CC2)cc1Cl ZINC001447226989 1066783279 /nfs/dbraw/zinc/78/32/79/1066783279.db2.gz IFBQCTFHMOXBPS-UHFFFAOYSA-N 0 0 456.999 4.577 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@@H](F)C2)cs1 ZINC001492663458 1066783328 /nfs/dbraw/zinc/78/33/28/1066783328.db2.gz AASPAMUAZOLUSS-ZWKOTPCHSA-N 0 0 492.665 4.608 20 0 JJADRN CC(C)c1cc(Br)ccc1NC(=O)c1nscc1I ZINC001447217903 1066783376 /nfs/dbraw/zinc/78/33/76/1066783376.db2.gz KNAONLIZPWKNQG-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1OC(F)F ZINC001447231127 1066783829 /nfs/dbraw/zinc/78/38/29/1066783829.db2.gz OCPPFTKCGQKTED-JTQLQIEISA-N 0 0 456.873 4.902 20 0 JJADRN CCn1ncc(Br)c1C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001457192009 1066783818 /nfs/dbraw/zinc/78/38/18/1066783818.db2.gz OMPOOIALIIZWKT-GFCCVEGCSA-N 0 0 456.056 4.888 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001447230996 1066784026 /nfs/dbraw/zinc/78/40/26/1066784026.db2.gz HRBPZTKRADPESK-OAQYLSRUSA-N 0 0 454.567 4.647 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2CCCn2cc(Br)cn2)cs1 ZINC001492663818 1066784025 /nfs/dbraw/zinc/78/40/25/1066784025.db2.gz KHEXPTHMOJTWSH-UHFFFAOYSA-N 0 0 492.491 4.698 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492663851 1066784062 /nfs/dbraw/zinc/78/40/62/1066784062.db2.gz MCOAKAPLHZNKTO-IYARVYRRSA-N 0 0 492.665 4.608 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001447234252 1066784409 /nfs/dbraw/zinc/78/44/09/1066784409.db2.gz QUNFFVOBBWFQAQ-LJQANCHMSA-N 0 0 456.512 4.615 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492664271 1066784559 /nfs/dbraw/zinc/78/45/59/1066784559.db2.gz HIEOLZWLCOEHEF-UONOGXRCSA-N 0 0 471.656 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492664196 1066784622 /nfs/dbraw/zinc/78/46/22/1066784622.db2.gz DQIXOIDLMAMPKP-UHFFFAOYSA-N 0 0 455.453 4.761 20 0 JJADRN O=C(c1cnc(-c2c(F)cccc2F)s1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447251621 1066784926 /nfs/dbraw/zinc/78/49/26/1066784926.db2.gz MZKJAEXXEWZSPN-INIZCTEOSA-N 0 0 452.429 4.903 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252325 1066784956 /nfs/dbraw/zinc/78/49/56/1066784956.db2.gz QADATICROQGCLS-YQVWRLOYSA-N 0 0 457.395 4.890 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492664579 1066784938 /nfs/dbraw/zinc/78/49/38/1066784938.db2.gz MSPJSDQWBKXRDU-UHFFFAOYSA-N 0 0 452.550 4.773 20 0 JJADRN COc1cccc(OC)c1CC(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001457195468 1066785089 /nfs/dbraw/zinc/78/50/89/1066785089.db2.gz VANSBTXTHVYWPA-QGZVFWFLSA-N 0 0 451.210 4.995 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCc4ccccc43)n2CC(F)(F)Br)cs1 ZINC001492664418 1066785102 /nfs/dbraw/zinc/78/51/02/1066785102.db2.gz SLAWGVYABPGLIU-INIZCTEOSA-N 0 0 468.371 4.745 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)c2)cc1F ZINC001457197931 1066786067 /nfs/dbraw/zinc/78/60/67/1066786067.db2.gz HVUDYTBORHSXOE-RTWAWAEBSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492665267 1066786074 /nfs/dbraw/zinc/78/60/74/1066786074.db2.gz BUWBULOVOGAFGY-OAQYLSRUSA-N 0 0 482.654 4.670 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001457197141 1066786161 /nfs/dbraw/zinc/78/61/61/1066786161.db2.gz HJUODJCHDJKPRR-IBGZPJMESA-N 0 0 450.626 4.554 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)c2)cc1F ZINC001457197936 1066786187 /nfs/dbraw/zinc/78/61/87/1066786187.db2.gz HVUDYTBORHSXOE-SFTDATJTSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492665273 1066786133 /nfs/dbraw/zinc/78/61/33/1066786133.db2.gz CDUQATOUIXXHIG-UHFFFAOYSA-N 0 0 491.061 4.791 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001492665221 1066786145 /nfs/dbraw/zinc/78/61/45/1066786145.db2.gz AUZTZDICBLFAJU-UHFFFAOYSA-N 0 0 499.040 4.645 20 0 JJADRN C[C@@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)NCC1(C)CCC1 ZINC001457200618 1066786773 /nfs/dbraw/zinc/78/67/73/1066786773.db2.gz QCNQMRZZGUDDTD-LLVKDONJSA-N 0 0 458.727 4.567 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)CCOc3ccc(C(C)C)cc3)CCCC2)cc1OC ZINC001457200374 1066786885 /nfs/dbraw/zinc/78/68/85/1066786885.db2.gz MMRUBERRYKPSQP-UHFFFAOYSA-N 0 0 454.567 4.664 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492665402 1066786844 /nfs/dbraw/zinc/78/68/44/1066786844.db2.gz HGRDUYBFQMYRDQ-GCJKJVERSA-N 0 0 496.681 4.916 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@H]2CCOC[C@@H]2C)cs1 ZINC001492665552 1066787446 /nfs/dbraw/zinc/78/74/46/1066787446.db2.gz NAZNNUSLVQNQPV-MAUKXSAKSA-N 0 0 477.581 4.544 20 0 JJADRN CCc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cnn1CC(C)C ZINC001447277826 1066787539 /nfs/dbraw/zinc/78/75/39/1066787539.db2.gz WWXTVDGLHBCZPN-UHFFFAOYSA-N 0 0 458.559 4.602 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1scnc1C1CC1)Cc1cc(F)c(F)cc1F ZINC001447288601 1066788119 /nfs/dbraw/zinc/78/81/19/1066788119.db2.gz UKCBPWSPKXIEJM-CYBMUJFWSA-N 0 0 455.502 4.902 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2Cc2sc(C)nc2C)cs1 ZINC001492665929 1066788107 /nfs/dbraw/zinc/78/81/07/1066788107.db2.gz CNXBHGIEJCDQPX-UHFFFAOYSA-N 0 0 490.605 4.993 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492665863 1066788352 /nfs/dbraw/zinc/78/83/52/1066788352.db2.gz WMQGSOAXXJCOPM-MRXNPFEDSA-N 0 0 490.699 4.835 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492665893 1066788412 /nfs/dbraw/zinc/78/84/12/1066788412.db2.gz WVUWROPARKPWKF-UHFFFAOYSA-N 0 0 476.672 4.637 20 0 JJADRN O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC001447292722 1066788676 /nfs/dbraw/zinc/78/86/76/1066788676.db2.gz UZUZCLMGIQKWOF-UHFFFAOYSA-N 0 0 459.365 4.860 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c2ccc(F)c(F)c2)c1 ZINC001457204412 1066788872 /nfs/dbraw/zinc/78/88/72/1066788872.db2.gz OOSXASFLTKKGPS-HSZRJFAPSA-N 0 0 454.498 4.561 20 0 JJADRN CCn1nccc1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447304599 1066789334 /nfs/dbraw/zinc/78/93/34/1066789334.db2.gz FOPNDQJIMLUNLW-MHZLTWQESA-N 0 0 455.558 4.858 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@H](C)Cc2cccs2)cs1 ZINC001492666048 1066789276 /nfs/dbraw/zinc/78/92/76/1066789276.db2.gz FSCBDYGCVMCXIQ-CQSZACIVSA-N 0 0 456.641 4.815 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCCC2)cc1OC ZINC001457205750 1066789355 /nfs/dbraw/zinc/78/93/55/1066789355.db2.gz WUAGYWCQGBLZLC-UHFFFAOYSA-N 0 0 454.420 4.543 20 0 JJADRN Cc1cc(SCC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c(C)cc1Br ZINC001457205438 1066789416 /nfs/dbraw/zinc/78/94/16/1066789416.db2.gz VFRQHOKEZRVCKU-SFHVURJKSA-N 0 0 456.446 4.735 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)Nc1cc(C(N)=O)ccc1NCc1ccccc1 ZINC001447310163 1066789781 /nfs/dbraw/zinc/78/97/81/1066789781.db2.gz YHHLNHNQBPSGSZ-UHFFFAOYSA-N 0 0 456.315 4.860 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2Cc2nccc(C(F)F)n2)cs1 ZINC001492666121 1066789824 /nfs/dbraw/zinc/78/98/24/1066789824.db2.gz HZCIONFOSGJJES-UHFFFAOYSA-N 0 0 499.591 4.833 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@H](C)Oc2ccccc2C)cs1 ZINC001492666154 1066789867 /nfs/dbraw/zinc/78/98/67/1066789867.db2.gz JCVNZRJLNQAVJT-KRWDZBQOSA-N 0 0 451.596 4.948 20 0 JJADRN COC[C@@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccc(C)o1 ZINC001457207799 1066790437 /nfs/dbraw/zinc/79/04/37/1066790437.db2.gz LBNCZWRQWQJTCY-KBXCAEBGSA-N 0 0 455.336 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCCc2cccc(F)c2)cs1 ZINC001492666212 1066790309 /nfs/dbraw/zinc/79/03/09/1066790309.db2.gz LHDNZMYAEJIIMP-UHFFFAOYSA-N 0 0 454.575 4.647 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001447312949 1066790376 /nfs/dbraw/zinc/79/03/76/1066790376.db2.gz ZBIOJBQUJHBCIX-IISPMBILSA-N 0 0 452.379 4.537 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@H]2CCC[C@@H](O)C2)cs1 ZINC001492666226 1066790472 /nfs/dbraw/zinc/79/04/72/1066790472.db2.gz LOTIEYJOIUMPPW-WMLDXEAASA-N 0 0 496.500 4.645 20 0 JJADRN O=C(NCC1CCS(=O)(=O)CC1)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC001447316666 1066790876 /nfs/dbraw/zinc/79/08/76/1066790876.db2.gz WRSIRSREXWRTRH-UHFFFAOYSA-N 0 0 458.432 4.840 20 0 JJADRN O=C(NCc1ncccc1Br)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001457210604 1066791187 /nfs/dbraw/zinc/79/11/87/1066791187.db2.gz HGNKTCCMLXQFGZ-UHFFFAOYSA-N 0 0 453.365 4.943 20 0 JJADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H](C2CCCC2)C1 ZINC001457211004 1066791211 /nfs/dbraw/zinc/79/12/11/1066791211.db2.gz CTWBMRLWVNFHEO-FQEVSTJZSA-N 0 0 453.048 4.947 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)Oc1cccc(F)c1 ZINC001545994477 1066791449 /nfs/dbraw/zinc/79/14/49/1066791449.db2.gz ABPUMPVWJMMCCX-JTHBVZDNSA-N 0 0 484.620 4.658 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)s2)c2ccc(F)c(F)c2)c1 ZINC001457211414 1066791756 /nfs/dbraw/zinc/79/17/56/1066791756.db2.gz YBSBXMIBQDNSGD-IBGZPJMESA-N 0 0 453.557 4.671 20 0 JJADRN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001447320505 1066791876 /nfs/dbraw/zinc/79/18/76/1066791876.db2.gz LBJBJWBPDGOTNS-INIZCTEOSA-N 0 0 459.493 4.607 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1csc(NC2CC2)n1)c1ccc2ccccc2c1 ZINC001447320307 1066791942 /nfs/dbraw/zinc/79/19/42/1066791942.db2.gz IGWSXKURNKCIBS-LJQANCHMSA-N 0 0 452.580 4.866 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001447321843 1066791955 /nfs/dbraw/zinc/79/19/55/1066791955.db2.gz VVKLLGYFFRKYFP-UHFFFAOYSA-N 0 0 453.366 4.904 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1csc(NC2CC2)n1)c1ccc2ccccc2c1 ZINC001447320304 1066792053 /nfs/dbraw/zinc/79/20/53/1066792053.db2.gz IGWSXKURNKCIBS-IBGZPJMESA-N 0 0 452.580 4.866 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2CCc2ccc(F)cc2Cl)cs1 ZINC001492666515 1066791975 /nfs/dbraw/zinc/79/19/75/1066791975.db2.gz XGAZFNAFRVGLJX-UHFFFAOYSA-N 0 0 474.993 4.910 20 0 JJADRN Nc1c(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)ccnc1-c1ccccc1 ZINC001447322162 1066792394 /nfs/dbraw/zinc/79/23/94/1066792394.db2.gz WKMCDOZFGHQFRT-UHFFFAOYSA-N 0 0 453.424 4.727 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC001457217021 1066792620 /nfs/dbraw/zinc/79/26/20/1066792620.db2.gz FJFJECXFNYXIOH-UHFFFAOYSA-N 0 0 453.520 4.816 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc3c(ccc(Br)c3C)[nH]2)n1C ZINC001457216803 1066792678 /nfs/dbraw/zinc/79/26/78/1066792678.db2.gz NXBNSYJBBNVVPE-LJQANCHMSA-N 0 0 458.356 4.731 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001447327263 1066793125 /nfs/dbraw/zinc/79/31/25/1066793125.db2.gz DTLZGVNYWRXZSW-UHFFFAOYSA-N 0 0 458.990 4.551 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)s2)s1 ZINC001492667198 1066793087 /nfs/dbraw/zinc/79/30/87/1066793087.db2.gz XVKLQLLNUCWXHN-UHFFFAOYSA-N 0 0 451.046 4.798 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492667345 1066793509 /nfs/dbraw/zinc/79/35/09/1066793509.db2.gz CPMJVIZOHOVDMC-MRXNPFEDSA-N 0 0 476.046 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492666778 1066793887 /nfs/dbraw/zinc/79/38/87/1066793887.db2.gz HMPYQODSQOUTTI-JXFKEZNVSA-N 0 0 486.642 4.509 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2CCc2ccc(Br)s2)cs1 ZINC001492667500 1066794065 /nfs/dbraw/zinc/79/40/65/1066794065.db2.gz HNWWBZKGUJKOIR-MRXNPFEDSA-N 0 0 496.500 4.706 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CCO1 ZINC001546088860 1066794063 /nfs/dbraw/zinc/79/40/63/1066794063.db2.gz CKTWFELANZGMIU-SANMLTNESA-N 0 0 478.597 4.741 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001457223590 1066794170 /nfs/dbraw/zinc/79/41/70/1066794170.db2.gz NIUMYEVANDIPMP-UHFFFAOYSA-N 0 0 459.344 4.613 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492667798 1066794353 /nfs/dbraw/zinc/79/43/53/1066794353.db2.gz PIYFGGIAVKYMKK-FQEVSTJZSA-N 0 0 488.702 4.907 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCC2(F)F)s1 ZINC001492666789 1066794485 /nfs/dbraw/zinc/79/44/85/1066794485.db2.gz HWTBZNRIMGKSSF-HNNXBMFYSA-N 0 0 452.600 4.861 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCCC3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492667706 1066794497 /nfs/dbraw/zinc/79/44/97/1066794497.db2.gz MTEHFEVHJVFPOK-UHFFFAOYSA-N 0 0 462.664 4.517 20 0 JJADRN CN1Cc2ccccc2[C@H](NC(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001447331991 1066794528 /nfs/dbraw/zinc/79/45/28/1066794528.db2.gz XMAIIHLOEXFPOZ-JOCHJYFZSA-N 0 0 451.364 4.945 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447332755 1066794590 /nfs/dbraw/zinc/79/45/90/1066794590.db2.gz PEIOQXCLYBGQDK-NQIIRXRSSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)nn1-c1ccc(Br)cc1 ZINC001457227063 1066794531 /nfs/dbraw/zinc/79/45/31/1066794531.db2.gz DRWILMQVSYGPHK-KRWDZBQOSA-N 0 0 459.775 4.605 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447333532 1066794894 /nfs/dbraw/zinc/79/48/94/1066794894.db2.gz QRXLDTQUTYSXHR-MJGOQNOKSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)(F)C3)n2CCOc2cccc(Cl)c2)cs1 ZINC001492667820 1066794980 /nfs/dbraw/zinc/79/49/80/1066794980.db2.gz QFAFXWXWZOVABT-UHFFFAOYSA-N 0 0 467.973 4.848 20 0 JJADRN COCCOCc1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)cc1 ZINC001457231782 1066795408 /nfs/dbraw/zinc/79/54/08/1066795408.db2.gz MEQQHZDEXFPTHS-OAQYLSRUSA-N 0 0 458.558 4.822 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001457232933 1066795968 /nfs/dbraw/zinc/79/59/68/1066795968.db2.gz NYACQVJXZXRLAG-GOSISDBHSA-N 0 0 452.776 4.732 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492668393 1066795967 /nfs/dbraw/zinc/79/59/67/1066795967.db2.gz JBSNABYACDTTMQ-QAPCUYQASA-N 0 0 459.582 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CCc2ccc(F)cc2Cl)cs1 ZINC001492668428 1066796350 /nfs/dbraw/zinc/79/63/50/1066796350.db2.gz KNALOMMAYPSJGS-UHFFFAOYSA-N 0 0 478.037 4.922 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2CCOc2cccc(C(F)(F)F)n2)cs1 ZINC001492668523 1066796401 /nfs/dbraw/zinc/79/64/01/1066796401.db2.gz OFNZJFOTRPMJQR-UHFFFAOYSA-N 0 0 468.549 4.609 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CCCc2ccccc2F)cs1 ZINC001492668459 1066796412 /nfs/dbraw/zinc/79/64/12/1066796412.db2.gz LOBOTEHJHPQYIA-UHFFFAOYSA-N 0 0 457.619 4.659 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492668424 1066796503 /nfs/dbraw/zinc/79/65/03/1066796503.db2.gz KIXASAAMHIXVHS-CYBMUJFWSA-N 0 0 455.962 4.846 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001447342689 1066796433 /nfs/dbraw/zinc/79/64/33/1066796433.db2.gz BAXQYFLJKMZBFO-IHRRRGAJSA-N 0 0 451.796 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492668571 1066796895 /nfs/dbraw/zinc/79/68/95/1066796895.db2.gz QBIDPUQIUXRZJM-NFBKMPQASA-N 0 0 475.703 4.728 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@H](C)Oc2ccc(F)cc2)cs1 ZINC001492668693 1066796904 /nfs/dbraw/zinc/79/69/04/1066796904.db2.gz UPOXIKJTCDQFGJ-ZDUSSCGKSA-N 0 0 457.497 4.629 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3c3ccccc3)cc2)cc1 ZINC001447349421 1066796906 /nfs/dbraw/zinc/79/69/06/1066796906.db2.gz XEZFNVNZXXUIGK-XMMPIXPASA-N 0 0 450.560 4.863 20 0 JJADRN CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)C2)cc1 ZINC001447344775 1066797077 /nfs/dbraw/zinc/79/70/77/1066797077.db2.gz KLZMLRVOOUTADJ-SQHAQQRYSA-N 0 0 455.602 4.637 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3)n2C[C@@H]2CCC(F)(F)C2)cs1 ZINC001492669069 1066797311 /nfs/dbraw/zinc/79/73/11/1066797311.db2.gz IBCUCBTZBAUECO-GOSISDBHSA-N 0 0 461.582 4.975 20 0 JJADRN Cc1ccsc1Cn1c(Cc2csc(C)n2)nnc1N(C)CCOCc1ccccc1 ZINC001492669047 1066797363 /nfs/dbraw/zinc/79/73/63/1066797363.db2.gz HEPOYHUCCLZQKU-UHFFFAOYSA-N 0 0 453.637 4.705 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)Oc1cccc(F)c1 ZINC001545994919 1066797462 /nfs/dbraw/zinc/79/74/62/1066797462.db2.gz IUYUOQHDFUFQOF-HXUWFJFHSA-N 0 0 486.661 4.955 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001447353216 1066797595 /nfs/dbraw/zinc/79/75/95/1066797595.db2.gz UJFVKGYIFJEJNV-ZIAGYGMSSA-N 0 0 471.823 4.880 20 0 JJADRN O=C(Nc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1)OCC(F)(F)F ZINC001447357643 1066797650 /nfs/dbraw/zinc/79/76/50/1066797650.db2.gz AJUWIBDKVSNGPZ-OAQYLSRUSA-N 0 0 458.436 4.928 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@@H]2CSCCS2)cs1 ZINC001492669325 1066797699 /nfs/dbraw/zinc/79/76/99/1066797699.db2.gz QUNKGKWCTFFMMM-QGZVFWFLSA-N 0 0 496.127 4.651 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492669210 1066797827 /nfs/dbraw/zinc/79/78/27/1066797827.db2.gz MNTQQWFCAOGESF-UHFFFAOYSA-N 0 0 472.659 4.506 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H]2CCC[C@@H](O)C2)cs1 ZINC001492669587 1066798278 /nfs/dbraw/zinc/79/82/78/1066798278.db2.gz CCHVQDLGMKCPOP-DENIHFKCSA-N 0 0 457.619 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3cncc(C(F)(F)F)c3)cs2)CC1 ZINC001457254494 1066798273 /nfs/dbraw/zinc/79/82/73/1066798273.db2.gz YWXUADUWNQLGKQ-UHFFFAOYSA-N 0 0 456.490 4.924 20 0 JJADRN COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)o1 ZINC001447361050 1066798623 /nfs/dbraw/zinc/79/86/23/1066798623.db2.gz JEKRORAVFCXBCV-QFIPXVFZSA-N 0 0 454.548 4.513 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(C(F)(F)F)ccc3NC)ccc2C)ccn1 ZINC001457263065 1066798681 /nfs/dbraw/zinc/79/86/81/1066798681.db2.gz APRRELPPSRERDG-UHFFFAOYSA-N 0 0 458.440 4.855 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001457263545 1066798818 /nfs/dbraw/zinc/79/88/18/1066798818.db2.gz DLSXTVKATZCKDX-FQEVSTJZSA-N 0 0 456.542 4.622 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCOC2CCCCCC2)cs1 ZINC001492669832 1066798718 /nfs/dbraw/zinc/79/87/18/1066798718.db2.gz BHOWVRWTNGVZHE-UHFFFAOYSA-N 0 0 461.676 4.767 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492670086 1066799144 /nfs/dbraw/zinc/79/91/44/1066799144.db2.gz NEVBAGGMZLLKPB-SFHVURJKSA-N 0 0 490.674 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492669956 1066799229 /nfs/dbraw/zinc/79/92/29/1066799229.db2.gz BSNOTAVSUFPADM-OKILXGFUSA-N 0 0 451.518 4.673 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001447365408 1066799302 /nfs/dbraw/zinc/79/93/02/1066799302.db2.gz HCYXDPRWYKSHLV-YYWHXJBOSA-N 0 0 458.624 4.612 20 0 JJADRN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC001447364278 1066799314 /nfs/dbraw/zinc/79/93/14/1066799314.db2.gz VSJDIAFZQWRRMK-MHZLTWQESA-N 0 0 450.538 4.600 20 0 JJADRN O=C(NCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1)NCc1ccc(Cl)cc1 ZINC001447364699 1066799320 /nfs/dbraw/zinc/79/93/20/1066799320.db2.gz DXQNGLWYWDWODY-SFHVURJKSA-N 0 0 456.011 4.835 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)O[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC001457265398 1066799238 /nfs/dbraw/zinc/79/92/38/1066799238.db2.gz CWXAPZRBHSZDKI-OAQYLSRUSA-N 0 0 459.539 4.685 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001457265165 1066799303 /nfs/dbraw/zinc/79/93/03/1066799303.db2.gz IAKAYORHBBTFOC-SFTDATJTSA-N 0 0 458.558 4.816 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)cs1 ZINC001492670249 1066799511 /nfs/dbraw/zinc/79/95/11/1066799511.db2.gz PMHCPJMZPITYHP-MGBGTMOVSA-N 0 0 483.663 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@](C)(O)c2ccsc2)cs1 ZINC001492670692 1066800127 /nfs/dbraw/zinc/80/01/27/1066800127.db2.gz ZDZHWHACAZJRIN-QFIPXVFZSA-N 0 0 457.625 4.611 20 0 JJADRN COc1cccc(C(NC(=O)COc2ccc(Br)cc2)c2cccc(OC)c2)c1 ZINC001457269145 1066800077 /nfs/dbraw/zinc/80/00/77/1066800077.db2.gz PYXXSIGIVCDTHT-UHFFFAOYSA-N 0 0 456.336 4.751 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994993 1066800296 /nfs/dbraw/zinc/80/02/96/1066800296.db2.gz KHRXVRRBKVKXOR-YADHBBJMSA-N 0 0 485.673 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2Cc2sccc2Br)cs1 ZINC001492670873 1066800714 /nfs/dbraw/zinc/80/07/14/1066800714.db2.gz MBABZLDZTKMCHV-RYUDHWBXSA-N 0 0 452.447 4.598 20 0 JJADRN CCOc1ccc([C@H](C)OC(=O)CCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC001457269618 1066800815 /nfs/dbraw/zinc/80/08/15/1066800815.db2.gz GTDVKMXXMUQVIC-HNNXBMFYSA-N 0 0 455.370 4.706 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(OC)cc2OCC(C)C)n1 ZINC001457270068 1066800824 /nfs/dbraw/zinc/80/08/24/1066800824.db2.gz VHDBASISMJEKQU-UHFFFAOYSA-N 0 0 459.930 4.875 20 0 JJADRN COc1ccc(NC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC(C)C ZINC001447371553 1066800820 /nfs/dbraw/zinc/80/08/20/1066800820.db2.gz KKFKHDUJNLVUCE-IBGZPJMESA-N 0 0 458.559 4.503 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)C1(C)C ZINC001447370699 1066800827 /nfs/dbraw/zinc/80/08/27/1066800827.db2.gz UKQKRBNSRSNDDE-IFMALSPDSA-N 0 0 456.558 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)N(C)c2ccccc2)cs1 ZINC001492671167 1066801422 /nfs/dbraw/zinc/80/14/22/1066801422.db2.gz RXHOGWXASGAPAY-SFHVURJKSA-N 0 0 468.671 4.553 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001457272059 1066801238 /nfs/dbraw/zinc/80/12/38/1066801238.db2.gz LAAHFOMMQLIORZ-NRFANRHFSA-N 0 0 456.970 4.990 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC001457270901 1066801386 /nfs/dbraw/zinc/80/13/86/1066801386.db2.gz XKBIDKJKQFZWEW-UHFFFAOYSA-N 0 0 450.322 4.812 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC001457275784 1066801909 /nfs/dbraw/zinc/80/19/09/1066801909.db2.gz AFTGQHLYNLIULW-UHFFFAOYSA-N 0 0 456.296 4.811 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545995226 1066802235 /nfs/dbraw/zinc/80/22/35/1066802235.db2.gz OJMTVRGTOMUDPW-VQTJNVASSA-N 0 0 475.609 4.577 20 0 JJADRN CC(C)Oc1ccc2ccccc2c1CNC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447388356 1066802656 /nfs/dbraw/zinc/80/26/56/1066802656.db2.gz STUWLEVUBIABMG-FQEVSTJZSA-N 0 0 456.583 4.659 20 0 JJADRN CCOc1ccc(-c2cn(C3CN(C(=O)[C@H](C)Cc4cccc(C(F)(F)F)c4)C3)nn2)cc1 ZINC001447387318 1066802675 /nfs/dbraw/zinc/80/26/75/1066802675.db2.gz PJRCPEZLSZHMHA-MRXNPFEDSA-N 0 0 458.484 4.625 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492671704 1066803047 /nfs/dbraw/zinc/80/30/47/1066803047.db2.gz CLXMPQXGUIUKIT-UHFFFAOYSA-N 0 0 488.608 4.904 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001447398416 1066803810 /nfs/dbraw/zinc/80/38/10/1066803810.db2.gz JAHAOSWLHXHTOF-UHFFFAOYSA-N 0 0 459.518 4.561 20 0 JJADRN COc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)ccc1OC(C)C ZINC001447399313 1066804122 /nfs/dbraw/zinc/80/41/22/1066804122.db2.gz HXVFILPGBRFOOT-UHFFFAOYSA-N 0 0 454.548 4.844 20 0 JJADRN CCCCCCN(C(=O)Cc1ccc(C(N)=O)nc1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC001457288343 1066804373 /nfs/dbraw/zinc/80/43/73/1066804373.db2.gz DVLMYOJCRMYLTN-UHFFFAOYSA-N 0 0 457.987 4.508 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1OCC ZINC001457289976 1066804640 /nfs/dbraw/zinc/80/46/40/1066804640.db2.gz CAEZUCXOIDAWHF-UHFFFAOYSA-N 0 0 452.979 4.611 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)c2ccccc2)cc1 ZINC001447406895 1066805117 /nfs/dbraw/zinc/80/51/17/1066805117.db2.gz DTABMUIXXKFQFP-ZEQKJWHPSA-N 0 0 450.966 4.534 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccccc2)cc1 ZINC001447406873 1066805270 /nfs/dbraw/zinc/80/52/70/1066805270.db2.gz DTABMUIXXKFQFP-OZXSUGGESA-N 0 0 450.966 4.534 20 0 JJADRN CCOc1cccc([C@H](CC)OC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)c1 ZINC001457293752 1066805208 /nfs/dbraw/zinc/80/52/08/1066805208.db2.gz NVAQVCWXUBCLND-INIZCTEOSA-N 0 0 459.333 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)n2CC(F)(F)F)cs1 ZINC001492672988 1066805659 /nfs/dbraw/zinc/80/56/59/1066805659.db2.gz IUFDEAIPYKTKSN-LJQANCHMSA-N 0 0 485.963 4.800 20 0 JJADRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457294524 1066805695 /nfs/dbraw/zinc/80/56/95/1066805695.db2.gz LXKWWEZMROTFKP-IEBWSBKVSA-N 0 0 457.562 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ccccc3-c3nc(C(C)(C)C)no3)C2)C1 ZINC001447413390 1066805805 /nfs/dbraw/zinc/80/58/05/1066805805.db2.gz KBHCMTYDFMLZIZ-VWLOTQADSA-N 0 0 454.571 4.507 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492673407 1066806062 /nfs/dbraw/zinc/80/60/62/1066806062.db2.gz SNPZOOLAROEDKF-MRXNPFEDSA-N 0 0 476.691 4.810 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673360 1066806202 /nfs/dbraw/zinc/80/62/02/1066806202.db2.gz RLJGIZHMDXHNRH-QUCCMNQESA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673458 1066806715 /nfs/dbraw/zinc/80/67/15/1066806715.db2.gz UKKLKBLTCXVCHC-ABSDTBQOSA-N 0 0 474.675 4.516 20 0 JJADRN COCCOc1cccc(COC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1 ZINC001457298400 1066806796 /nfs/dbraw/zinc/80/67/96/1066806796.db2.gz ZQPNKUIVCHZQLK-UHFFFAOYSA-N 0 0 452.290 4.943 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001447419039 1066807026 /nfs/dbraw/zinc/80/70/26/1066807026.db2.gz QSUUIHDCVYCJFV-AWEZNQCLSA-N 0 0 458.381 4.517 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)Oc1cccc(F)c1 ZINC001545995621 1066807417 /nfs/dbraw/zinc/80/74/17/1066807417.db2.gz VXRVABBIXOVQKM-XMMPIXPASA-N 0 0 499.675 4.948 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492673792 1066807541 /nfs/dbraw/zinc/80/75/41/1066807541.db2.gz BSFPEGZLPAZERH-UONOGXRCSA-N 0 0 480.469 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492673793 1066807947 /nfs/dbraw/zinc/80/79/47/1066807947.db2.gz BSFPEGZLPAZERH-ZIAGYGMSSA-N 0 0 480.469 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492673836 1066808103 /nfs/dbraw/zinc/80/81/03/1066808103.db2.gz CWQUDZBFDLVZQZ-UHFFFAOYSA-N 0 0 451.518 4.817 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccccc1 ZINC001545995693 1066807994 /nfs/dbraw/zinc/80/79/94/1066807994.db2.gz XAUJDFHGLNPIOO-RXFWQSSRSA-N 0 0 450.631 4.546 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccccc1 ZINC001545995690 1066808066 /nfs/dbraw/zinc/80/80/66/1066808066.db2.gz XAUJDFHGLNPIOO-FNZWTVRRSA-N 0 0 450.631 4.546 20 0 JJADRN O=C(Nc1ccc(I)cc1Br)c1ccccc1OC1CC1 ZINC001457315512 1066808177 /nfs/dbraw/zinc/80/81/77/1066808177.db2.gz FYLRAQFNQKEODJ-UHFFFAOYSA-N 0 0 458.093 4.847 20 0 JJADRN CCOC(=O)c1cc(NC(=O)/C(C)=C/c2c(Cl)cccc2Cl)cc(S(C)(=O)=O)c1 ZINC001457313085 1066808229 /nfs/dbraw/zinc/80/82/29/1066808229.db2.gz BZLQXXKLQQVAHL-XYOKQWHBSA-N 0 0 456.347 4.616 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2CCCCOC(C)C)cs1 ZINC001492673945 1066808126 /nfs/dbraw/zinc/80/81/26/1066808126.db2.gz GTJMPCQLOLOKNG-FQEVSTJZSA-N 0 0 457.619 4.972 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674074 1066808133 /nfs/dbraw/zinc/80/81/33/1066808133.db2.gz JMHKDZCEPALDNF-YQVWRLOYSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC2CCOCC2)cs1 ZINC001492674848 1066809090 /nfs/dbraw/zinc/80/90/90/1066809090.db2.gz IVFCFJPWYVRNHM-UHFFFAOYSA-N 0 0 456.443 4.740 20 0 JJADRN C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC001447437573 1066809188 /nfs/dbraw/zinc/80/91/88/1066809188.db2.gz PUCVRZCXCOGCPF-OFNKIYASSA-N 0 0 457.368 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492674492 1066809174 /nfs/dbraw/zinc/80/91/74/1066809174.db2.gz CVAYJJYKVKVSJK-QFBILLFUSA-N 0 0 498.619 4.668 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492674853 1066809224 /nfs/dbraw/zinc/80/92/24/1066809224.db2.gz YAFOZCFAXBGMLP-GOSISDBHSA-N 0 0 476.691 4.810 20 0 JJADRN O=C(/C=C\COc1ccccc1)Nc1ccc(I)cc1Br ZINC001457318049 1066809262 /nfs/dbraw/zinc/80/92/62/1066809262.db2.gz STXNRUJAAHCWIY-DAXSKMNVSA-N 0 0 458.093 4.627 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001447436244 1066809331 /nfs/dbraw/zinc/80/93/31/1066809331.db2.gz QJQZODCGTNPTLC-GVXSCFBNSA-N 0 0 451.607 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC001447442386 1066809625 /nfs/dbraw/zinc/80/96/25/1066809625.db2.gz FCLOJUWJLAMITR-UHFFFAOYSA-N 0 0 453.370 4.943 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1)C1CCCC1 ZINC001457320164 1066809732 /nfs/dbraw/zinc/80/97/32/1066809732.db2.gz ZQQFIZHTRSSQMZ-HXUWFJFHSA-N 0 0 455.356 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Cc3csc(C4CCCC4)n3)cn2)CC1 ZINC001447441277 1066809767 /nfs/dbraw/zinc/80/97/67/1066809767.db2.gz DNYKDXPUXYELJK-UHFFFAOYSA-N 0 0 459.616 4.750 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1)C1CCCC1 ZINC001457320161 1066809847 /nfs/dbraw/zinc/80/98/47/1066809847.db2.gz ZQQFIZHTRSSQMZ-FQEVSTJZSA-N 0 0 455.356 4.626 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1ccc2c(c1)CCCC2 ZINC001447445481 1066810444 /nfs/dbraw/zinc/81/04/44/1066810444.db2.gz FINHWFIIQNNGEY-QGZVFWFLSA-N 0 0 454.617 4.596 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)cs1 ZINC001492675368 1066810891 /nfs/dbraw/zinc/81/08/91/1066810891.db2.gz VVZYAYNNWJPSRF-RLLQIKCJSA-N 0 0 488.702 4.763 20 0 JJADRN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CC=C(c2cccc(Br)c2)CC1 ZINC001447448545 1066810903 /nfs/dbraw/zinc/81/09/03/1066810903.db2.gz JURHJXWBQIRQIK-FQEVSTJZSA-N 0 0 458.377 4.786 20 0 JJADRN O=C(NCCNC(=O)c1ccc(-c2ccc(Br)cc2)s1)OCc1ccccc1 ZINC001457330584 1066811378 /nfs/dbraw/zinc/81/13/78/1066811378.db2.gz YSYCVMDOCMXGPD-UHFFFAOYSA-N 0 0 459.365 4.834 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC001447455087 1066811646 /nfs/dbraw/zinc/81/16/46/1066811646.db2.gz QOYYFBUPPOSACP-WAIKUNEKSA-N 0 0 453.539 4.553 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1ccccc1I ZINC001457335306 1066811849 /nfs/dbraw/zinc/81/18/49/1066811849.db2.gz JHBUSHLROBOERD-UHFFFAOYSA-N 0 0 450.345 4.532 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC001457335489 1066811866 /nfs/dbraw/zinc/81/18/66/1066811866.db2.gz AVKXQBMMIIJXRL-LLVKDONJSA-N 0 0 455.433 4.676 20 0 JJADRN O=C([C@@H](Oc1ccc(Br)cc1F)c1ccccc1)N1CCc2cc(O)ccc2C1 ZINC001457336204 1066811871 /nfs/dbraw/zinc/81/18/71/1066811871.db2.gz WCFSKIISXPIMEK-QFIPXVFZSA-N 0 0 456.311 4.999 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546089523 1066812402 /nfs/dbraw/zinc/81/24/02/1066812402.db2.gz QSEGZPYESZXDRC-AVRDEDQJSA-N 0 0 465.436 4.774 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3OC)n2CC2(CCOC)CCCCC2)CCO1 ZINC001546089518 1066812474 /nfs/dbraw/zinc/81/24/74/1066812474.db2.gz QRGLGXIRACQFBU-VWLOTQADSA-N 0 0 456.631 4.946 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC001457337001 1066812479 /nfs/dbraw/zinc/81/24/79/1066812479.db2.gz GRWRRZGAVVIBQE-QGZVFWFLSA-N 0 0 456.391 4.859 20 0 JJADRN COc1ccc(CC(=O)N2C[C@@H](C)Oc3cc(C)c(Br)cc32)c(Cl)c1OC ZINC001457336969 1066812488 /nfs/dbraw/zinc/81/24/88/1066812488.db2.gz DNIYGWHZBWNDOT-GFCCVEGCSA-N 0 0 454.748 4.785 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@](O)(c4ccc(F)cc4)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492675515 1066812574 /nfs/dbraw/zinc/81/25/74/1066812574.db2.gz AZOJZGLZAPMUCR-DEOSSOPVSA-N 0 0 457.619 4.553 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)c4ccc(F)cc4)CC3)n2CCCC(C)C)cs1 ZINC001492675549 1066812590 /nfs/dbraw/zinc/81/25/90/1066812590.db2.gz BVIYQMADJXKIAX-UHFFFAOYSA-N 0 0 484.645 4.608 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2Cc2ccccc2Br)cs1 ZINC001492676245 1066812656 /nfs/dbraw/zinc/81/26/56/1066812656.db2.gz ZUUYZGXDSZLKSN-UHFFFAOYSA-N 0 0 490.471 4.838 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2Cc2ccccc2C(F)(F)F)cs1 ZINC001492675473 1066812679 /nfs/dbraw/zinc/81/26/79/1066812679.db2.gz ZNTDRKZJUFOGFK-UHFFFAOYSA-N 0 0 479.572 4.690 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447463586 1066812759 /nfs/dbraw/zinc/81/27/59/1066812759.db2.gz RRXPSCLBDHVPNN-NRFANRHFSA-N 0 0 450.514 4.530 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001545995416 1066812943 /nfs/dbraw/zinc/81/29/43/1066812943.db2.gz RXOIVSHSXYWGKU-VQTJNVASSA-N 0 0 473.637 4.604 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(F)c(I)c1 ZINC001457340672 1066813086 /nfs/dbraw/zinc/81/30/86/1066813086.db2.gz MELJPNPNVHHJNZ-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H](C)Oc2ccccc2)cs1 ZINC001492676435 1066813199 /nfs/dbraw/zinc/81/31/99/1066813199.db2.gz FQXUYPWAFQZSMB-NVXWUHKLSA-N 0 0 465.545 4.880 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H](C)Oc2ccccc2)cs1 ZINC001492676437 1066813268 /nfs/dbraw/zinc/81/32/68/1066813268.db2.gz FQXUYPWAFQZSMB-WBVHZDCISA-N 0 0 465.545 4.880 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001447474853 1066813343 /nfs/dbraw/zinc/81/33/43/1066813343.db2.gz ICUCPQVSUJALDS-FQEVSTJZSA-N 0 0 454.364 4.841 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1)Oc1ccccc1C(F)(F)F ZINC001457344495 1066813494 /nfs/dbraw/zinc/81/34/94/1066813494.db2.gz QZXJZPRSYQFUKK-SGTLLEGYSA-N 0 0 458.839 4.965 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)cs1 ZINC001492676565 1066813713 /nfs/dbraw/zinc/81/37/13/1066813713.db2.gz IZLAJCPVVPTOPS-FUHWJXTLSA-N 0 0 474.675 4.564 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)C[C@H](C)O2 ZINC001457346448 1066814261 /nfs/dbraw/zinc/81/42/61/1066814261.db2.gz MKRBCBOGPWMTSL-LBPRGKRZSA-N 0 0 452.732 4.539 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492676573 1066814314 /nfs/dbraw/zinc/81/43/14/1066814314.db2.gz JEXCUOBKWNCVSE-LRDDRELGSA-N 0 0 468.549 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CCOc2ccc(Cl)cc2)cs1 ZINC001492676722 1066814336 /nfs/dbraw/zinc/81/43/36/1066814336.db2.gz NAJOHNGJLITVAC-UHFFFAOYSA-N 0 0 494.846 4.855 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)c1 ZINC001457350886 1066814607 /nfs/dbraw/zinc/81/46/07/1066814607.db2.gz GGLXNCIXVOICJR-NRFANRHFSA-N 0 0 454.958 4.927 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[C@H]2CCO[C@@H](C)C2)cs1 ZINC001492676822 1066814876 /nfs/dbraw/zinc/81/48/76/1066814876.db2.gz PBQSXGAMSNZZPQ-XIRDDKMYSA-N 0 0 457.566 4.618 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC001457356278 1066815251 /nfs/dbraw/zinc/81/52/51/1066815251.db2.gz WYRMMGSZEOTDJL-SQJMNOBHSA-N 0 0 457.574 4.634 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)[C@@H](Oc3ccc(Cl)cc3)C(C)C)nc12 ZINC001447492533 1066815344 /nfs/dbraw/zinc/81/53/44/1066815344.db2.gz ZDZMGIFLOXPPQY-SFHVURJKSA-N 0 0 450.764 4.778 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc(COc4ccccc4)cc3)nc12 ZINC001447492607 1066815357 /nfs/dbraw/zinc/81/53/57/1066815357.db2.gz ZPFRAFUHFKATDN-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2CCCN(C)c2ccccc2)cs1 ZINC001492677118 1066815574 /nfs/dbraw/zinc/81/55/74/1066815574.db2.gz WEOJFDLDZPAPMJ-UHFFFAOYSA-N 0 0 487.471 4.649 20 0 JJADRN CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001457358743 1066815854 /nfs/dbraw/zinc/81/58/54/1066815854.db2.gz MSPLMLWGVDMOQL-FQEVSTJZSA-N 0 0 452.835 4.908 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)CN(CC1CC1)C(=O)OC(C)(C)C)CC2 ZINC001457358984 1066815888 /nfs/dbraw/zinc/81/58/88/1066815888.db2.gz AUUZEZANILUYRM-UHFFFAOYSA-N 0 0 459.587 4.565 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492677362 1066816011 /nfs/dbraw/zinc/81/60/11/1066816011.db2.gz DBPMRBJISVRZDF-FQEVSTJZSA-N 0 0 459.063 4.969 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cc1OC ZINC001457360575 1066816588 /nfs/dbraw/zinc/81/65/88/1066816588.db2.gz LCCFBCQQQUPNQY-KRWDZBQOSA-N 0 0 454.995 4.999 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677514 1066816681 /nfs/dbraw/zinc/81/66/81/1066816681.db2.gz ITEXZVDJDBMVQG-FQEVSTJZSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001492677411 1066816705 /nfs/dbraw/zinc/81/67/05/1066816705.db2.gz FRQNCJMIXLDFLR-HXUWFJFHSA-N 0 0 474.675 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677645 1066816782 /nfs/dbraw/zinc/81/67/82/1066816782.db2.gz JUOHWCXJWQGISY-AZUAARDMSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492677874 1066817167 /nfs/dbraw/zinc/81/71/67/1066817167.db2.gz NSAQDENFTLVGIE-AWEZNQCLSA-N 0 0 451.518 4.612 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3cc(Cl)cc4c3OCC4)cc2)CC1 ZINC001447512576 1066817308 /nfs/dbraw/zinc/81/73/08/1066817308.db2.gz ZUABBQZSOQLMIX-UHFFFAOYSA-N 0 0 455.986 4.546 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492677578 1066817229 /nfs/dbraw/zinc/81/72/29/1066817229.db2.gz ATTVRPLPAMVCGJ-IBGZPJMESA-N 0 0 488.702 4.955 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCCOC(F)(F)F)cs1 ZINC001492678255 1066817759 /nfs/dbraw/zinc/81/77/59/1066817759.db2.gz VFUFWGDIJQVIPD-GOSISDBHSA-N 0 0 467.517 4.607 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678262 1066817805 /nfs/dbraw/zinc/81/78/05/1066817805.db2.gz VPIMTBBFSDULLR-HFSMHLIXSA-N 0 0 488.702 4.906 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545996976 1066817963 /nfs/dbraw/zinc/81/79/63/1066817963.db2.gz HREXLJRQENXGNE-NLFFAJNJSA-N 0 0 492.064 4.831 20 0 JJADRN CCc1ccc2c(c1)CN(C(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001457368666 1066818354 /nfs/dbraw/zinc/81/83/54/1066818354.db2.gz FQWXOJSTYYZCQT-JOCHJYFZSA-N 0 0 452.599 4.524 20 0 JJADRN CC(C)n1c2cc(C(=O)N3CCc4cccc(NC(=O)OC(C)(C)C)c4C3)ccc2[nH]c1=O ZINC001457371717 1066818365 /nfs/dbraw/zinc/81/83/65/1066818365.db2.gz NQYMRPOORPWTJM-UHFFFAOYSA-N 0 0 450.539 4.868 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCCc2ccccc2)cc1 ZINC001447523059 1066818438 /nfs/dbraw/zinc/81/84/38/1066818438.db2.gz KOFJAHVMOVVSPW-UHFFFAOYSA-N 0 0 451.592 4.528 20 0 JJADRN CCCNc1ccccc1NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001447523075 1066818480 /nfs/dbraw/zinc/81/84/80/1066818480.db2.gz LIRITOHYPBIAHK-NRFANRHFSA-N 0 0 452.555 4.539 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001457377946 1066818717 /nfs/dbraw/zinc/81/87/17/1066818717.db2.gz NKYVBFXRFXUBEI-IBGZPJMESA-N 0 0 459.859 4.760 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447527728 1066818968 /nfs/dbraw/zinc/81/89/68/1066818968.db2.gz DIBFDCJXDFCRCM-AWEZNQCLSA-N 0 0 458.340 4.575 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 ZINC001447527439 1066818981 /nfs/dbraw/zinc/81/89/81/1066818981.db2.gz RYUINGZTVZRLSF-GOSISDBHSA-N 0 0 458.427 4.735 20 0 JJADRN Cc1ccc(C(C)(C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)cn1 ZINC001447531969 1066819111 /nfs/dbraw/zinc/81/91/11/1066819111.db2.gz MGANLCNVDGJDNC-UHFFFAOYSA-N 0 0 458.587 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)cs1 ZINC001492678766 1066819424 /nfs/dbraw/zinc/81/94/24/1066819424.db2.gz NOESLKGGHFGWEL-IBGZPJMESA-N 0 0 474.700 4.734 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492678872 1066819902 /nfs/dbraw/zinc/81/99/02/1066819902.db2.gz PTKUFZKXYQDVGP-WAOWUJCRSA-N 0 0 488.702 4.906 20 0 JJADRN COc1nccc(C(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)n1 ZINC001457387383 1066819940 /nfs/dbraw/zinc/81/99/40/1066819940.db2.gz NYYNZCDLTSJCCX-UHFFFAOYSA-N 0 0 458.703 4.697 20 0 JJADRN O=C(OCc1cc(F)cc(Br)c1)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001457385372 1066820143 /nfs/dbraw/zinc/82/01/43/1066820143.db2.gz KXQCAJXSCVHUGH-UHFFFAOYSA-N 0 0 451.242 4.898 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC001447548167 1066820274 /nfs/dbraw/zinc/82/02/74/1066820274.db2.gz BMIFEPXBXRKTKD-UHFFFAOYSA-N 0 0 456.568 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(CCCO)c1)c1cccc(C(F)(F)F)c1 ZINC001447549782 1066820316 /nfs/dbraw/zinc/82/03/16/1066820316.db2.gz HEOZQTGBIQKNGT-IBGZPJMESA-N 0 0 452.473 4.835 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[C@H](C)c2ccccc2)cs1 ZINC001492679135 1066820821 /nfs/dbraw/zinc/82/08/21/1066820821.db2.gz VWODWQQPPRRJMN-UGKGYDQZSA-N 0 0 480.682 4.569 20 0 JJADRN Cn1ccc(CCC(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)n1 ZINC001457391153 1066820920 /nfs/dbraw/zinc/82/09/20/1066820920.db2.gz YUZPTPKXOHJRSH-UHFFFAOYSA-N 0 0 458.747 4.951 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC[C@H]1c1ccccc1 ZINC001457394534 1066821367 /nfs/dbraw/zinc/82/13/67/1066821367.db2.gz HZEFOONCVQCTFC-UZKOGDIHSA-N 0 0 456.533 4.935 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCCC2(CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545997251 1066821456 /nfs/dbraw/zinc/82/14/56/1066821456.db2.gz LVLJSQJMYAFHDY-HSZRJFAPSA-N 0 0 497.684 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CCC[C@@H]12 ZINC001457395719 1066822006 /nfs/dbraw/zinc/82/20/06/1066822006.db2.gz ZNVRCJHNBQNHID-HMFYCAOWSA-N 0 0 468.381 4.535 20 0 JJADRN O=C(CCC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccc(F)cc1F ZINC001447559237 1066822074 /nfs/dbraw/zinc/82/20/74/1066822074.db2.gz NUFBLCWTECICOM-UHFFFAOYSA-N 0 0 452.295 4.760 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC(C)(C)C)cs1 ZINC001492680091 1066822451 /nfs/dbraw/zinc/82/24/51/1066822451.db2.gz AGUJVXIPNSBDPS-UHFFFAOYSA-N 0 0 462.664 4.517 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N[C@@H]3CN(c4ccc(F)cc4)C3=O)cc2c1 ZINC001447569039 1066823070 /nfs/dbraw/zinc/82/30/70/1066823070.db2.gz AUCOLJSUMUTRAZ-QGZVFWFLSA-N 0 0 455.511 4.533 20 0 JJADRN CCCCOCCN(C(=O)[C@H]1CC(=O)N(C)c2ccccc21)c1cccc(Br)c1 ZINC001457401287 1066823178 /nfs/dbraw/zinc/82/31/78/1066823178.db2.gz RFOZSCRWWIVBMP-FQEVSTJZSA-N 0 0 459.384 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2cccc(OCc3ccccc3)c2)[C@H](F)C1 ZINC001457403262 1066823188 /nfs/dbraw/zinc/82/31/88/1066823188.db2.gz UMZRDXDSCOGGGR-PKTZIBPZSA-N 0 0 456.558 4.662 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 ZINC001457402706 1066823225 /nfs/dbraw/zinc/82/32/25/1066823225.db2.gz CTWOMMPZKONXND-NRFANRHFSA-N 0 0 456.491 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(Cc4cccc(Cl)c4)CC3)n2CCC(C)C)cs1 ZINC001492681302 1066823586 /nfs/dbraw/zinc/82/35/86/1066823586.db2.gz RVVUKRJLSCFFIY-UHFFFAOYSA-N 0 0 459.063 4.656 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCCOc1ccc(F)cc1F ZINC001457406550 1066823699 /nfs/dbraw/zinc/82/36/99/1066823699.db2.gz WDJUIEFBRGGFCJ-UHFFFAOYSA-N 0 0 459.337 4.650 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)C3)n2CC2CCC(C(F)(F)F)CC2)cs1 ZINC001492681721 1066824189 /nfs/dbraw/zinc/82/41/89/1066824189.db2.gz FJMITLLLWNYILE-UHFFFAOYSA-N 0 0 457.566 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492682420 1066824832 /nfs/dbraw/zinc/82/48/32/1066824832.db2.gz XLASNGFGWDTZOC-IBGZPJMESA-N 0 0 495.571 4.832 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCc2ccc(F)cc2Cl)cs1 ZINC001492682094 1066824839 /nfs/dbraw/zinc/82/48/39/1066824839.db2.gz OYXQVEOXXBJNEE-FQEVSTJZSA-N 0 0 478.037 4.920 20 0 JJADRN 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Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001492690832 1066836203 /nfs/dbraw/zinc/83/62/03/1066836203.db2.gz XYRJCCSFJIJEDW-UHFFFAOYSA-N 0 0 497.974 4.878 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(F)cc3Cl)C2)cs1 ZINC001492691140 1066836324 /nfs/dbraw/zinc/83/63/24/1066836324.db2.gz YMYRDQKWRPLFMP-FQEVSTJZSA-N 0 0 464.010 4.855 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)s1 ZINC001457463454 1066836400 /nfs/dbraw/zinc/83/64/00/1066836400.db2.gz QXBRKRADKQBPJH-WFASDCNBSA-N 0 0 454.390 4.657 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)s1 ZINC001457467496 1066836720 /nfs/dbraw/zinc/83/67/20/1066836720.db2.gz YDTPHYSDWDNESI-OAHLLOKOSA-N 0 0 453.568 4.808 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001457467959 1066836885 /nfs/dbraw/zinc/83/68/85/1066836885.db2.gz GBJAGZFYCBHPAQ-QWHCGFSZSA-N 0 0 455.258 4.545 20 0 JJADRN COC(=O)c1nc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)sc1C1CC1 ZINC001447656601 1066837398 /nfs/dbraw/zinc/83/73/98/1066837398.db2.gz XWFLHUKDEWCWIA-AWEZNQCLSA-N 0 0 457.552 4.675 20 0 JJADRN C[S@@](=O)c1ccc(CNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1 ZINC001457468260 1066837539 /nfs/dbraw/zinc/83/75/39/1066837539.db2.gz RTYXSERDDWVAAB-LYZGTLIUSA-N 0 0 458.377 4.623 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCCC2)cs1 ZINC001492692209 1066837607 /nfs/dbraw/zinc/83/76/07/1066837607.db2.gz POUSSMXWSLHAHA-FQEVSTJZSA-N 0 0 474.675 4.984 20 0 JJADRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccccc1 ZINC001457470716 1066837935 /nfs/dbraw/zinc/83/79/35/1066837935.db2.gz LQMXAEVCDYOGJS-ORAYPTAESA-N 0 0 459.365 4.853 20 0 JJADRN CCc1cc(O)ccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001447657167 1066837958 /nfs/dbraw/zinc/83/79/58/1066837958.db2.gz UKNGISYJJWSHHX-UHFFFAOYSA-N 0 0 455.234 4.569 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447658261 1066837995 /nfs/dbraw/zinc/83/79/95/1066837995.db2.gz ASZIAJQBMVRIQA-UHFFFAOYSA-N 0 0 452.860 4.773 20 0 JJADRN Cc1nc(CCn2c(CCc3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001492692360 1066838000 /nfs/dbraw/zinc/83/80/00/1066838000.db2.gz YAXZJFPTVKNTKT-NRFANRHFSA-N 0 0 496.681 4.564 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3CC3CCC(C(F)(F)F)CC3)CC2)cs1 ZINC001492692809 1066838139 /nfs/dbraw/zinc/83/81/39/1066838139.db2.gz HEHORNMGHGJMMT-UHFFFAOYSA-N 0 0 470.609 4.857 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3[C@H]2C)C1 ZINC001457470906 1066838521 /nfs/dbraw/zinc/83/85/21/1066838521.db2.gz MIANMSYCHAACMV-IEBWSBKVSA-N 0 0 455.396 4.756 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)C(F)(F)F)CC2)cs1 ZINC001492693616 1066838633 /nfs/dbraw/zinc/83/86/33/1066838633.db2.gz KGOHHNLIQPVXGZ-UHFFFAOYSA-N 0 0 458.598 4.542 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(F)F)c3)CC2)cs1 ZINC001492693387 1066838828 /nfs/dbraw/zinc/83/88/28/1066838828.db2.gz XVDMAZLDSNDWID-UHFFFAOYSA-N 0 0 460.598 4.649 20 0 JJADRN CCCn1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)c1 ZINC001447664701 1066839257 /nfs/dbraw/zinc/83/92/57/1066839257.db2.gz VYNHWUBBPXQXJV-UHFFFAOYSA-N 0 0 459.999 4.697 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C4CCCC4)n3CC(C)(C)C(F)(F)F)CC2)cs1 ZINC001492693842 1066839351 /nfs/dbraw/zinc/83/93/51/1066839351.db2.gz TVYUGNJTPWKGLZ-UHFFFAOYSA-N 0 0 456.582 4.611 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492694030 1066839377 /nfs/dbraw/zinc/83/93/77/1066839377.db2.gz BHRCNAPFVYUMMG-OAQYLSRUSA-N 0 0 495.672 4.671 20 0 JJADRN O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1ccc(C2SCCS2)cc1 ZINC001447669869 1066839732 /nfs/dbraw/zinc/83/97/32/1066839732.db2.gz VLSCSAHGWFJZJU-OAHLLOKOSA-N 0 0 452.439 4.509 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545998855 1066839921 /nfs/dbraw/zinc/83/99/21/1066839921.db2.gz CKBRFPSTNKDNOX-GCJKJVERSA-N 0 0 482.604 4.904 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(c2nnc(CC(C)C)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492694321 1066839843 /nfs/dbraw/zinc/83/98/43/1066839843.db2.gz JDCUBBCTOKVUEU-UHFFFAOYSA-N 0 0 491.606 4.860 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)cs1 ZINC001492694157 1066840036 /nfs/dbraw/zinc/84/00/36/1066840036.db2.gz DONJQURERPQUNS-JOCHJYFZSA-N 0 0 496.681 4.885 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)s2)cc1 ZINC001457477202 1066840220 /nfs/dbraw/zinc/84/02/20/1066840220.db2.gz QITNNSOOJSJPKJ-IWAYBZMOSA-N 0 0 456.589 4.580 20 0 JJADRN COc1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c(I)c1 ZINC001447678532 1066840411 /nfs/dbraw/zinc/84/04/11/1066840411.db2.gz KNDGZVBQUFFAGE-UHFFFAOYSA-N 0 0 453.667 4.596 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)[C@H](C)c3ccc([S@](C)=O)cc3)c12 ZINC001457483900 1066840709 /nfs/dbraw/zinc/84/07/09/1066840709.db2.gz YRYXTSUSBCRYOX-QLCIJSRNSA-N 0 0 452.605 4.576 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3c(F)cccc3F)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001492695193 1066840862 /nfs/dbraw/zinc/84/08/62/1066840862.db2.gz RYHKCIKYDOUQKL-BPJXYHRLSA-N 0 0 493.649 4.801 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492695095 1066840917 /nfs/dbraw/zinc/84/09/17/1066840917.db2.gz ZQKDXEOAAMVTMK-CTNGQTDRSA-N 0 0 495.672 4.574 20 0 JJADRN Cc1nc2ccccc2n1CCCn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1C(C)(C)C ZINC001492695108 1066840963 /nfs/dbraw/zinc/84/09/63/1066840963.db2.gz ZTXKWCFWNLVMRO-AREMUKBSSA-N 0 0 452.647 4.965 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)C)cs1 ZINC001492695175 1066840989 /nfs/dbraw/zinc/84/09/89/1066840989.db2.gz RDMBGPWSOMUBCL-LJQANCHMSA-N 0 0 477.009 4.616 20 0 JJADRN CCO[C@@H](CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CCCC1 ZINC001457485359 1066841112 /nfs/dbraw/zinc/84/11/12/1066841112.db2.gz BCPPNIVEFFIFCD-NQIIRXRSSA-N 0 0 455.426 4.947 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc(Cl)cc1 ZINC001457487599 1066841219 /nfs/dbraw/zinc/84/12/19/1066841219.db2.gz FQXNWVRDZGDBSX-LJQANCHMSA-N 0 0 457.785 4.987 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)CC2)s1 ZINC001447688537 1066841602 /nfs/dbraw/zinc/84/16/02/1066841602.db2.gz AXCUIRNOKQPFJG-UHFFFAOYSA-N 0 0 455.624 4.807 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001457490369 1066841763 /nfs/dbraw/zinc/84/17/63/1066841763.db2.gz SLXYGCHIASUNFI-UHFFFAOYSA-N 0 0 458.280 4.940 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)nc1C(C)(C)C ZINC001457490830 1066841826 /nfs/dbraw/zinc/84/18/26/1066841826.db2.gz VBAQJYVMJVJQNT-HNNXBMFYSA-N 0 0 453.605 4.591 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(F)c(Br)cc1N ZINC001447689831 1066842054 /nfs/dbraw/zinc/84/20/54/1066842054.db2.gz NFJXPVXDTUUGLZ-UHFFFAOYSA-N 0 0 450.533 4.859 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)CCO2)cc1 ZINC001447688680 1066842151 /nfs/dbraw/zinc/84/21/51/1066842151.db2.gz PISHBROZRGQELM-AREMUKBSSA-N 0 0 456.586 4.835 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCCOCC2CC2)s1 ZINC001492695641 1066842741 /nfs/dbraw/zinc/84/27/41/1066842741.db2.gz JOILGGOVIFRHLB-UHFFFAOYSA-N 0 0 482.473 4.987 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCO2)s1 ZINC001492695553 1066842951 /nfs/dbraw/zinc/84/29/51/1066842951.db2.gz FZTQWGVUKQDVOH-CYBMUJFWSA-N 0 0 468.446 4.740 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)F)s1 ZINC001492695589 1066842973 /nfs/dbraw/zinc/84/29/73/1066842973.db2.gz HHLDUWLQDSCVCX-UHFFFAOYSA-N 0 0 472.359 4.738 20 0 JJADRN CN(C(=O)COC[C@H]1CCCO1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001457493777 1066842933 /nfs/dbraw/zinc/84/29/33/1066842933.db2.gz VFRWKBJFZJSAPR-TZIWHRDSSA-N 0 0 452.776 4.846 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC001457494887 1066842956 /nfs/dbraw/zinc/84/29/56/1066842956.db2.gz WALDYVNJXDGZHZ-UHFFFAOYSA-N 0 0 456.477 4.628 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2OCCC2(C)C)s1 ZINC001492695700 1066843379 /nfs/dbraw/zinc/84/33/79/1066843379.db2.gz LPQHWOYBWFMQAP-GOSISDBHSA-N 0 0 463.554 4.763 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1Br)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001447694177 1066843409 /nfs/dbraw/zinc/84/34/09/1066843409.db2.gz FFFXWCUMMABOQB-LLVKDONJSA-N 0 0 450.682 4.702 20 0 JJADRN CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001457499662 1066843421 /nfs/dbraw/zinc/84/34/21/1066843421.db2.gz OEBXOBSCWBOENK-UHFFFAOYSA-N 0 0 454.313 4.851 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOCC2(C)C)s1 ZINC001492695691 1066843426 /nfs/dbraw/zinc/84/34/26/1066843426.db2.gz LFMJDBZMMTXMRQ-UHFFFAOYSA-N 0 0 495.480 4.764 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)s3)n2Cc2c(C)noc2C)s1 ZINC001492695919 1066843981 /nfs/dbraw/zinc/84/39/81/1066843981.db2.gz PTCLZLXQMRYSBJ-UHFFFAOYSA-N 0 0 479.429 4.824 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC001447700461 1066844536 /nfs/dbraw/zinc/84/45/36/1066844536.db2.gz XOYGLRPXQWUZFK-SFHVURJKSA-N 0 0 453.380 4.798 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncnn2C(C)(C)C)s1 ZINC001492695966 1066844592 /nfs/dbraw/zinc/84/45/92/1066844592.db2.gz RYHPMJWPGWAIMZ-UHFFFAOYSA-N 0 0 474.997 4.534 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001457502786 1066844631 /nfs/dbraw/zinc/84/46/31/1066844631.db2.gz AHAWKACKWYCBDY-BEFAXECRSA-N 0 0 458.352 4.793 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCS(=O)(=O)C1 ZINC001447705266 1066845157 /nfs/dbraw/zinc/84/51/57/1066845157.db2.gz DCDWPYGRRNYNFL-AWEZNQCLSA-N 0 0 458.432 4.792 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)s1 ZINC001492696167 1066845209 /nfs/dbraw/zinc/84/52/09/1066845209.db2.gz WPZNZFLAZYHTOL-KRWDZBQOSA-N 0 0 479.437 4.568 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1N(C)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001457505087 1066845344 /nfs/dbraw/zinc/84/53/44/1066845344.db2.gz DCFJIQOUHNNDBE-UHFFFAOYSA-N 0 0 458.345 4.599 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCOc2ncccc2F)s1 ZINC001492696165 1066845315 /nfs/dbraw/zinc/84/53/15/1066845315.db2.gz WLULNVXBVAOCFV-UHFFFAOYSA-N 0 0 458.950 4.613 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Br)n2CCCOCC(F)F)s1 ZINC001492696098 1066845444 /nfs/dbraw/zinc/84/54/44/1066845444.db2.gz UJKHFRMTTFFPNQ-UHFFFAOYSA-N 0 0 486.386 4.781 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001447715167 1066845803 /nfs/dbraw/zinc/84/58/03/1066845803.db2.gz VESMWVFMZAQSMG-JOCHJYFZSA-N 0 0 451.951 4.524 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC001457506221 1066846074 /nfs/dbraw/zinc/84/60/74/1066846074.db2.gz WWUKCUYCRUPZCV-NRFANRHFSA-N 0 0 458.628 4.655 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCCCCC2)s1 ZINC001492696462 1066846436 /nfs/dbraw/zinc/84/64/36/1066846436.db2.gz NKXJYWCAFYOREA-UHFFFAOYSA-N 0 0 482.654 4.634 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)CCOCC2)s1 ZINC001492696329 1066846623 /nfs/dbraw/zinc/84/66/23/1066846623.db2.gz JYEHUOGJMBDSOF-MRXNPFEDSA-N 0 0 459.591 4.775 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCC2)s1 ZINC001492696327 1066846693 /nfs/dbraw/zinc/84/66/93/1066846693.db2.gz JVCUOBRKQKDWEM-OAHLLOKOSA-N 0 0 462.019 4.778 20 0 JJADRN CCS[C@@H]1CCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001457508184 1066846620 /nfs/dbraw/zinc/84/66/20/1066846620.db2.gz UMAFHTIQNSXXHU-VQTJNVASSA-N 0 0 456.612 4.956 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cnn1-c1ccc(OC)cc1 ZINC001457508869 1066846634 /nfs/dbraw/zinc/84/66/34/1066846634.db2.gz MCOMBHCSDAOQKP-AWEZNQCLSA-N 0 0 451.914 4.638 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)CC2)c1 ZINC001447721485 1066847064 /nfs/dbraw/zinc/84/70/64/1066847064.db2.gz XFYWNPFBNIZFRR-GOSISDBHSA-N 0 0 453.583 4.828 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCNc2ccccn2)s1 ZINC001492696510 1066847118 /nfs/dbraw/zinc/84/71/18/1066847118.db2.gz OTNDWUIGTBQWIE-UHFFFAOYSA-N 0 0 454.003 4.897 20 0 JJADRN COc1ccccc1C[C@H](NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)C ZINC001457510085 1066847119 /nfs/dbraw/zinc/84/71/19/1066847119.db2.gz SUWYDSBIDVJETG-VWLOTQADSA-N 0 0 455.558 4.700 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cn1 ZINC001447718618 1066847155 /nfs/dbraw/zinc/84/71/55/1066847155.db2.gz MYOSZCVHIGUQMS-KOSHJBKYSA-N 0 0 453.970 4.528 20 0 JJADRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457514583 1066847730 /nfs/dbraw/zinc/84/77/30/1066847730.db2.gz VXDDRKLBEBPEPP-RYUDHWBXSA-N 0 0 450.720 4.797 20 0 JJADRN COc1ccccc1C[C@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)C(C)C ZINC001457514073 1066847741 /nfs/dbraw/zinc/84/77/41/1066847741.db2.gz MCAGNRSNGZJBGS-IBGZPJMESA-N 0 0 456.384 4.949 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)CC2)cc(OC)c1 ZINC001457514170 1066847785 /nfs/dbraw/zinc/84/77/85/1066847785.db2.gz MNORYLNDHKZWBS-IZZNHLLZSA-N 0 0 450.623 4.958 20 0 JJADRN CCCOc1ccc(C(=O)Oc2cccc(Oc3ccnc(C(=O)NC)c3)c2C)c(OC)c1 ZINC001457513691 1066847814 /nfs/dbraw/zinc/84/78/14/1066847814.db2.gz FLGXMAJJDOASQI-UHFFFAOYSA-N 0 0 450.491 4.559 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(OCc3ccccn3)cc2)s1 ZINC001492696668 1066847793 /nfs/dbraw/zinc/84/77/93/1066847793.db2.gz UBLKEZUNTYPTDR-UHFFFAOYSA-N 0 0 462.623 4.999 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCc2ccccc21)NC(=O)OC(C)(C)C ZINC001545999731 1066848214 /nfs/dbraw/zinc/84/82/14/1066848214.db2.gz SZRPDRQLHPILCE-REWPJTCUSA-N 0 0 476.625 4.691 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC001447729059 1066848402 /nfs/dbraw/zinc/84/84/02/1066848402.db2.gz HGFXWXFNPNRKEO-RSXGOPAZSA-N 0 0 452.526 4.513 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492696897 1066848416 /nfs/dbraw/zinc/84/84/16/1066848416.db2.gz ALGZWLHBJKUUSE-DOTOQJQBSA-N 0 0 462.019 4.694 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001457516713 1066848318 /nfs/dbraw/zinc/84/83/18/1066848318.db2.gz HXGRKHAVZCQHMG-UHFFFAOYSA-N 0 0 451.832 4.674 20 0 JJADRN CN1C(=O)CN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)c2ccccc21 ZINC001457515714 1066848384 /nfs/dbraw/zinc/84/83/84/1066848384.db2.gz DMLKYKMRRANGDV-UHFFFAOYSA-N 0 0 454.349 4.619 20 0 JJADRN CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001457516866 1066848850 /nfs/dbraw/zinc/84/88/50/1066848850.db2.gz GKXSZCGHZXSWQJ-UGSOOPFHSA-N 0 0 458.552 4.802 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1c(Cl)cc(F)cc1Br ZINC001447733553 1066848930 /nfs/dbraw/zinc/84/89/30/1066848930.db2.gz LPPUJFXUWFVQIC-FXAWDEMLSA-N 0 0 458.730 4.884 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492696900 1066849004 /nfs/dbraw/zinc/84/90/04/1066849004.db2.gz ALGZWLHBJKUUSE-WBVHZDCISA-N 0 0 462.019 4.694 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)C1CCCC1)NC(=O)OC(C)(C)C ZINC001545999938 1066849385 /nfs/dbraw/zinc/84/93/85/1066849385.db2.gz XAOKOOGLKDXKTK-FQEVSTJZSA-N 0 0 471.646 4.950 20 0 JJADRN COC1(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)CCC1 ZINC001457518433 1066849668 /nfs/dbraw/zinc/84/96/68/1066849668.db2.gz JQUIAQYZEGOEIS-UHFFFAOYSA-N 0 0 456.536 4.700 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(C)ccc3Br)c2C)ccn1 ZINC001457517572 1066849704 /nfs/dbraw/zinc/84/97/04/1066849704.db2.gz QUFJTXQIMFAYLL-UHFFFAOYSA-N 0 0 455.308 4.832 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[C@H]2CCCCO2)s1 ZINC001492697799 1066849671 /nfs/dbraw/zinc/84/96/71/1066849671.db2.gz DFONSGGLLZVDDL-QGZVFWFLSA-N 0 0 461.582 4.898 20 0 JJADRN CC(C)c1c(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cnn1-c1ccc(F)cc1 ZINC001447736925 1066849666 /nfs/dbraw/zinc/84/96/66/1066849666.db2.gz RKNXHIYULFOUAN-OZXSUGGESA-N 0 0 453.533 4.778 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001457520811 1066850166 /nfs/dbraw/zinc/85/01/66/1066850166.db2.gz SIGRBFNWCFHHFI-JOCHJYFZSA-N 0 0 458.624 4.695 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C(F)(F)c1ccccc1Br ZINC001447740380 1066850806 /nfs/dbraw/zinc/85/08/06/1066850806.db2.gz XBWRLMGBMRTVGZ-UYAOXDASSA-N 0 0 456.302 4.570 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001545999999 1066850931 /nfs/dbraw/zinc/85/09/31/1066850931.db2.gz YPSIDMLSXFBVKW-PCCBWWKXSA-N 0 0 468.646 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC001447743495 1066851497 /nfs/dbraw/zinc/85/14/97/1066851497.db2.gz OIBUGAMLSWQHSF-UHFFFAOYSA-N 0 0 451.405 4.631 20 0 JJADRN CCOC(=O)CN(C(=O)COc1cccc2c1OC(C)(C)C2)c1cc(Cl)cc(Cl)c1 ZINC001457523683 1066851652 /nfs/dbraw/zinc/85/16/52/1066851652.db2.gz PRPIVYSSHRFKSI-UHFFFAOYSA-N 0 0 452.334 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3O)sc2C1 ZINC001447750504 1066852173 /nfs/dbraw/zinc/85/21/73/1066852173.db2.gz AAORWVHWARYNIA-UHFFFAOYSA-N 0 0 458.458 4.898 20 0 JJADRN CO[C@H]1CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001447749321 1066852202 /nfs/dbraw/zinc/85/22/02/1066852202.db2.gz QEPZPGAHZLFUMH-HHJKRLRDSA-N 0 0 450.579 4.624 20 0 JJADRN CCCCOc1ccc(CNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1Cl ZINC001447748661 1066852217 /nfs/dbraw/zinc/85/22/17/1066852217.db2.gz APBILRVMBHFBSC-HNAYVOBHSA-N 0 0 454.995 4.896 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1ncc(Cc2cccc(F)c2)s1)C(F)(F)F ZINC001457528421 1066852346 /nfs/dbraw/zinc/85/23/46/1066852346.db2.gz BXRIFCNGVUSDGF-FQEVSTJZSA-N 0 0 453.461 4.627 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1Cc1cccs1)NC(=O)OC(C)(C)C ZINC001546000054 1066852363 /nfs/dbraw/zinc/85/23/63/1066852363.db2.gz ZMZIZGHGHSPGBJ-CTNGQTDRSA-N 0 0 496.681 4.840 20 0 JJADRN CCOC(=O)CN(C(=O)CCC(=O)N[C@@H](C)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC001457526945 1066852414 /nfs/dbraw/zinc/85/24/14/1066852414.db2.gz AIKPZIYLOPAXRP-HNNXBMFYSA-N 0 0 451.350 4.547 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCCC2(C)C)s1 ZINC001492698686 1066852438 /nfs/dbraw/zinc/85/24/38/1066852438.db2.gz HOLPRQHAZKSFFY-IECBHUPTSA-N 0 0 461.676 4.539 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001447752915 1066852875 /nfs/dbraw/zinc/85/28/75/1066852875.db2.gz KOIBHILKRMQPMQ-KOMQPUFPSA-N 0 0 452.908 4.968 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC001492698831 1066852872 /nfs/dbraw/zinc/85/28/72/1066852872.db2.gz NLUXYKBIVMJZSV-UHFFFAOYSA-N 0 0 465.549 4.548 20 0 JJADRN CC(C)[C@H]1CN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001447753378 1066853710 /nfs/dbraw/zinc/85/37/10/1066853710.db2.gz CFZNXZDMJBMVFT-RBBKRZOGSA-N 0 0 458.647 4.597 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)s1 ZINC001492699104 1066854164 /nfs/dbraw/zinc/85/41/64/1066854164.db2.gz YBDVURQXQHZSNL-XRULBBBTSA-N 0 0 461.676 4.803 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(F)F)c2)s1 ZINC001492699076 1066854214 /nfs/dbraw/zinc/85/42/14/1066854214.db2.gz XBXMPTYLXHPTMN-UHFFFAOYSA-N 0 0 488.589 4.657 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001447758914 1066854200 /nfs/dbraw/zinc/85/42/00/1066854200.db2.gz FITYPOCTOGHCGZ-QGZVFWFLSA-N 0 0 456.344 4.698 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc[nH]c(=O)c1Br ZINC001447755175 1066854225 /nfs/dbraw/zinc/85/42/25/1066854225.db2.gz ZGEBBAQUYXWJEG-NSHDSACASA-N 0 0 457.168 4.992 20 0 JJADRN CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)CCN1C(=O)OC(C)(C)C ZINC001447755114 1066854278 /nfs/dbraw/zinc/85/42/78/1066854278.db2.gz PUDWYDBZBBTFDE-QGZVFWFLSA-N 0 0 459.812 4.749 20 0 JJADRN CCOCCC1(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CCCC1 ZINC001457535949 1066854474 /nfs/dbraw/zinc/85/44/74/1066854474.db2.gz KTDFWGFMCVXUKZ-JOCHJYFZSA-N 0 0 457.615 4.707 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001457536312 1066854517 /nfs/dbraw/zinc/85/45/17/1066854517.db2.gz UPUFBPNTDPZJLB-QGZVFWFLSA-N 0 0 451.954 4.840 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492699321 1066854827 /nfs/dbraw/zinc/85/48/27/1066854827.db2.gz FORQXSLQOSADSB-GJZGRUSLSA-N 0 0 462.019 4.888 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C(C)(C)C)C2)s1 ZINC001492699654 1066854837 /nfs/dbraw/zinc/85/48/37/1066854837.db2.gz OSKNTSSERJAMGB-AWEZNQCLSA-N 0 0 463.449 4.732 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC001447762506 1066854923 /nfs/dbraw/zinc/85/49/23/1066854923.db2.gz LHVVZTQKMMRFMV-AAIZFQIRSA-N 0 0 467.404 4.694 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001447761345 1066855084 /nfs/dbraw/zinc/85/50/84/1066855084.db2.gz IQZAEZWVQGSJAL-BEFAXECRSA-N 0 0 456.340 4.939 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001457538140 1066855209 /nfs/dbraw/zinc/85/52/09/1066855209.db2.gz YJANURKKXDARKY-INIZCTEOSA-N 0 0 457.452 4.643 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492700118 1066855604 /nfs/dbraw/zinc/85/56/04/1066855604.db2.gz DRWDCARWRXMYNW-WBVHZDCISA-N 0 0 486.617 4.637 20 0 JJADRN Cc1ccccc1C[C@@H](CO)NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC001447770496 1066855571 /nfs/dbraw/zinc/85/55/71/1066855571.db2.gz XALPZUBHUZISAV-NRFANRHFSA-N 0 0 454.364 4.670 20 0 JJADRN Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 ZINC001457541931 1066856468 /nfs/dbraw/zinc/85/64/68/1066856468.db2.gz YWFBEGVQXFSQAE-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492700654 1066856801 /nfs/dbraw/zinc/85/68/01/1066856801.db2.gz PTBPSRVKBLQSPK-PHIMTYICSA-N 0 0 470.487 4.913 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cnn1-c1cccc(Cl)c1 ZINC001447787650 1066856867 /nfs/dbraw/zinc/85/68/67/1066856867.db2.gz UZZFETKCXFKCMJ-UHFFFAOYSA-N 0 0 452.942 4.855 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC=C(C)C)CCO1 ZINC001546091905 1066857179 /nfs/dbraw/zinc/85/71/79/1066857179.db2.gz ZBLHPJPQHVIVPQ-SANMLTNESA-N 0 0 464.614 4.598 20 0 JJADRN Cc1cccn2cc(-c3ccc(NC(=O)c4cccnc4I)cc3)nc12 ZINC001457544235 1066857373 /nfs/dbraw/zinc/85/73/73/1066857373.db2.gz VIAWGLNXHXVCSF-UHFFFAOYSA-N 0 0 454.271 4.562 20 0 JJADRN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001457545828 1066857863 /nfs/dbraw/zinc/85/78/63/1066857863.db2.gz CPEOEUGVGUOWCI-UHFFFAOYSA-N 0 0 450.926 4.855 20 0 JJADRN CC[C@@H](CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)Oc1cccc(Cl)c1 ZINC001457545558 1066857979 /nfs/dbraw/zinc/85/79/79/1066857979.db2.gz IMLRLJCHLNJAHN-WMLDXEAASA-N 0 0 451.748 4.502 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c1 ZINC001447791172 1066858402 /nfs/dbraw/zinc/85/84/02/1066858402.db2.gz GSLVDMBTAIDVLH-UHFFFAOYSA-N 0 0 459.930 4.929 20 0 JJADRN Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC001492701562 1066858538 /nfs/dbraw/zinc/85/85/38/1066858538.db2.gz YDYBDBJKIGWFRG-OAHLLOKOSA-N 0 0 467.565 4.737 20 0 JJADRN CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457548476 1066858641 /nfs/dbraw/zinc/85/86/41/1066858641.db2.gz UXPZWLIOIMVPRS-FTJBHMTQSA-N 0 0 452.639 4.939 20 0 JJADRN Cc1ncc(Cn2c(C3CCCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)s1 ZINC001492701617 1066858679 /nfs/dbraw/zinc/85/86/79/1066858679.db2.gz ZVKCMDNBEKYSEK-UHFFFAOYSA-N 0 0 494.434 4.649 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001447793148 1066858902 /nfs/dbraw/zinc/85/89/02/1066858902.db2.gz CHOKABZSTCIUGF-IERDGZPVSA-N 0 0 454.514 4.776 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC001447793903 1066858995 /nfs/dbraw/zinc/85/89/95/1066858995.db2.gz KCBXMHBTSFKSIG-UHFFFAOYSA-N 0 0 452.599 4.796 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447792946 1066859006 /nfs/dbraw/zinc/85/90/06/1066859006.db2.gz YZQWVRJKQNGGBW-MRXNPFEDSA-N 0 0 453.461 4.798 20 0 JJADRN CN(C(=O)c1ccc(I)c(O)c1)c1ccc(OCc2ccccc2)cc1 ZINC001447793026 1066859098 /nfs/dbraw/zinc/85/90/98/1066859098.db2.gz VPOQJMYXOSDFNZ-UHFFFAOYSA-N 0 0 459.283 4.852 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492701783 1066859412 /nfs/dbraw/zinc/85/94/12/1066859412.db2.gz GISUZAOBNVPQQG-MOPGFXCFSA-N 0 0 460.648 4.788 20 0 JJADRN Cc1ncc(Cn2c(N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nnc2C(C)(C)C)s1 ZINC001492702226 1066859961 /nfs/dbraw/zinc/85/99/61/1066859961.db2.gz AANOBXYUAHQUBE-JWTNVVGKSA-N 0 0 474.675 4.756 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NOCc2ccc(F)cc2Br)o1 ZINC001447795812 1066860380 /nfs/dbraw/zinc/86/03/80/1066860380.db2.gz JRAMLUANHMGSAD-UHFFFAOYSA-N 0 0 450.260 4.630 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492702461 1066860567 /nfs/dbraw/zinc/86/05/67/1066860567.db2.gz FPOLTVGERWIWQN-IAGOWNOFSA-N 0 0 455.628 4.581 20 0 JJADRN CCOC(=O)c1cnc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(Cl)c1 ZINC001457556940 1066860521 /nfs/dbraw/zinc/86/05/21/1066860521.db2.gz MWGBNSIFBXSIQR-UHFFFAOYSA-N 0 0 456.970 4.845 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)s1 ZINC001492702303 1066860733 /nfs/dbraw/zinc/86/07/33/1066860733.db2.gz BYZUTWBHTVRFKX-LJQANCHMSA-N 0 0 495.571 4.735 20 0 JJADRN COCCO[C@@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 ZINC001447799120 1066860915 /nfs/dbraw/zinc/86/09/15/1066860915.db2.gz BXSKDANOOOZIMD-QGZVFWFLSA-N 0 0 452.338 4.515 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2ccon2)s1 ZINC001492702910 1066861248 /nfs/dbraw/zinc/86/12/48/1066861248.db2.gz WBUVWGFNTHEWGQ-UHFFFAOYSA-N 0 0 465.366 4.602 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCOC(C)(C)C)cc1F ZINC001492703711 1066861901 /nfs/dbraw/zinc/86/19/01/1066861901.db2.gz FGKVQOAZRIDIRG-UHFFFAOYSA-N 0 0 456.610 4.800 20 0 JJADRN O=C(Nc1ccccc1C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)OCc1ccccc1 ZINC001447801841 1066862289 /nfs/dbraw/zinc/86/22/89/1066862289.db2.gz NBXAZODYBMHELC-VGOFRKELSA-N 0 0 450.457 4.649 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cn1 ZINC001492704147 1066862473 /nfs/dbraw/zinc/86/24/73/1066862473.db2.gz RNIDJOBJMFGTDA-HXUWFJFHSA-N 0 0 473.625 4.577 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC(F)F)cn1 ZINC001492703779 1066862500 /nfs/dbraw/zinc/86/25/00/1066862500.db2.gz GANNSSFWPYCWGP-INIZCTEOSA-N 0 0 485.514 4.586 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1F ZINC001492703857 1066862524 /nfs/dbraw/zinc/86/25/24/1066862524.db2.gz HMPXATUYESRWOV-SFHVURJKSA-N 0 0 497.619 4.529 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N(C)Cc2cccc(Br)c2)cn1 ZINC001492704208 1066862531 /nfs/dbraw/zinc/86/25/31/1066862531.db2.gz UKUOFWKUCQSGFE-UHFFFAOYSA-N 0 0 480.414 4.738 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)/C=C\c1ccc(Cl)s1 ZINC001447802856 1066862851 /nfs/dbraw/zinc/86/28/51/1066862851.db2.gz OVBABFSNVREDPG-NTMALXAHSA-N 0 0 458.805 4.986 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492704466 1066863406 /nfs/dbraw/zinc/86/34/06/1066863406.db2.gz DCPQISXUVUEEQO-UHFFFAOYSA-N 0 0 461.408 4.913 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2cccc(Cl)c2)cc1 ZINC001546000606 1066863775 /nfs/dbraw/zinc/86/37/75/1066863775.db2.gz VHJYUSUIEODRTD-JOCHJYFZSA-N 0 0 458.967 4.630 20 0 JJADRN CC[C@]1(C)Oc2ccc(NC(=O)CCOc3ccccc3I)cc2O1 ZINC001447809567 1066863845 /nfs/dbraw/zinc/86/38/45/1066863845.db2.gz AJLZOKXDWDGYDV-LJQANCHMSA-N 0 0 453.276 4.596 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001492705351 1066864720 /nfs/dbraw/zinc/86/47/20/1066864720.db2.gz CUWXTDAYWRWXQP-GBESFXJTSA-N 0 0 472.634 4.873 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)N(Cc3ccccc3Br)CC(C)C)c2)o1 ZINC001457567126 1066864755 /nfs/dbraw/zinc/86/47/55/1066864755.db2.gz MOKQUTBUZZGLPY-UHFFFAOYSA-N 0 0 458.356 4.944 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001447814233 1066865172 /nfs/dbraw/zinc/86/51/72/1066865172.db2.gz ZRCOTUKAJQRYEH-LLVKDONJSA-N 0 0 457.836 4.624 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492705545 1066865522 /nfs/dbraw/zinc/86/55/22/1066865522.db2.gz JKZGHCLHHORSPW-UHFFFAOYSA-N 0 0 473.412 4.607 20 0 JJADRN Cc1nccn1CCCCn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001492705594 1066865573 /nfs/dbraw/zinc/86/55/73/1066865573.db2.gz LFVZWKFIPHSITH-UHFFFAOYSA-N 0 0 487.693 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC001457569473 1066865757 /nfs/dbraw/zinc/86/57/57/1066865757.db2.gz NXZZSDRCQTYJKN-XHSDSOJGSA-N 0 0 481.043 4.925 20 0 JJADRN Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001457569404 1066865795 /nfs/dbraw/zinc/86/57/95/1066865795.db2.gz MYGXOFAOTORGGE-GOSISDBHSA-N 0 0 456.539 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC001457569247 1066865969 /nfs/dbraw/zinc/86/59/69/1066865969.db2.gz ZTHZDWSXNILADL-UHFFFAOYSA-N 0 0 458.002 4.897 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 ZINC001492705649 1066866282 /nfs/dbraw/zinc/86/62/82/1066866282.db2.gz NAPSUYLCVFVPLZ-UHFFFAOYSA-N 0 0 457.022 4.837 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)cs1)NC(=O)OC(C)(C)C ZINC001546000767 1066866302 /nfs/dbraw/zinc/86/63/02/1066866302.db2.gz AMINUJGKIKGZJR-LJQANCHMSA-N 0 0 470.643 4.574 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)C1 ZINC001492705191 1066866324 /nfs/dbraw/zinc/86/63/24/1066866324.db2.gz YILPKEMUAHNHMZ-HXUWFJFHSA-N 0 0 485.677 4.614 20 0 JJADRN O=C(Nc1cnc(Cl)c(Br)c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC001457570686 1066866613 /nfs/dbraw/zinc/86/66/13/1066866613.db2.gz CCDIELNCHYHMCF-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492705961 1066866876 /nfs/dbraw/zinc/86/68/76/1066866876.db2.gz YASOCMIEFOBJQG-OTWHNJEPSA-N 0 0 472.634 4.873 20 0 JJADRN Cc1cccc(CNC(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1Br ZINC001447835569 1066866933 /nfs/dbraw/zinc/86/69/33/1066866933.db2.gz VGMDZUPYCVUDOF-MRXNPFEDSA-N 0 0 455.393 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC001447836661 1066866945 /nfs/dbraw/zinc/86/69/45/1066866945.db2.gz GOCADMORXHOWCB-KRWDZBQOSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)Cc1ncccc1F ZINC001447837116 1066867030 /nfs/dbraw/zinc/86/70/30/1066867030.db2.gz MNDHFFVACJCMCX-NFBKMPQASA-N 0 0 455.574 4.528 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O)c1ccc2[nH]ccc2c1 ZINC001447832372 1066867088 /nfs/dbraw/zinc/86/70/88/1066867088.db2.gz VOMYNQOPXYJVAI-UHFFFAOYSA-N 0 0 459.502 4.810 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 ZINC001492706159 1066867334 /nfs/dbraw/zinc/86/73/34/1066867334.db2.gz FBSKRGJLWDRBGU-WOJBJXKFSA-N 0 0 460.692 4.514 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001492706241 1066867462 /nfs/dbraw/zinc/86/74/62/1066867462.db2.gz HQHAMKCHANLKQF-IAGOWNOFSA-N 0 0 493.439 4.763 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706273 1066867501 /nfs/dbraw/zinc/86/75/01/1066867501.db2.gz ICCPAEIBKJEZTP-UHFFFAOYSA-N 0 0 478.494 4.680 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492706240 1066867643 /nfs/dbraw/zinc/86/76/43/1066867643.db2.gz HQHAMKCHANLKQF-CALCHBBNSA-N 0 0 493.439 4.763 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccn1 ZINC001447844913 1066868453 /nfs/dbraw/zinc/86/84/53/1066868453.db2.gz ZXBZCOYBKHSZTA-ODGPQVTHSA-N 0 0 451.611 4.950 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 ZINC001447843742 1066868592 /nfs/dbraw/zinc/86/85/92/1066868592.db2.gz WPLIZWXGUQJSAX-ZTCOLXNVSA-N 0 0 451.611 4.950 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001492706326 1066868559 /nfs/dbraw/zinc/86/85/59/1066868559.db2.gz JMLKHVYJYVPILL-GOSISDBHSA-N 0 0 465.552 4.725 20 0 JJADRN C[C@@H]1CCC[C@H](NC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CC1 ZINC001447846171 1066868992 /nfs/dbraw/zinc/86/89/92/1066868992.db2.gz HMCARFRNAAHUAY-APWZRJJASA-N 0 0 450.421 4.646 20 0 JJADRN COCc1[nH]nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1-c1ccc(Cl)cc1 ZINC001457576767 1066869003 /nfs/dbraw/zinc/86/90/03/1066869003.db2.gz VILDFKIZYZKLBJ-GDBMZVCRSA-N 0 0 462.978 4.708 20 0 JJADRN CCOC(=O)c1ncc(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)s1 ZINC001457575533 1066869060 /nfs/dbraw/zinc/86/90/60/1066869060.db2.gz LTEPUQLFRZDGLK-UHFFFAOYSA-N 0 0 452.532 4.673 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001492706656 1066869278 /nfs/dbraw/zinc/86/92/78/1066869278.db2.gz VHWSTENDYABRFV-NRFANRHFSA-N 0 0 485.677 4.962 20 0 JJADRN COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4F)c3)cc2c1 ZINC001457578446 1066869802 /nfs/dbraw/zinc/86/98/02/1066869802.db2.gz TXHDBHOPUFOLPW-UHFFFAOYSA-N 0 0 453.495 4.677 20 0 JJADRN C[C@@H]1CCCCN(C(=O)COc2c(I)cc(Cl)c3cccnc32)C1 ZINC001447851934 1066869838 /nfs/dbraw/zinc/86/98/38/1066869838.db2.gz YJTGPERBKYAJEM-GFCCVEGCSA-N 0 0 458.727 4.520 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@H](c4ccc(F)c(Br)c4)C3)c2)cs1 ZINC001447858294 1066870188 /nfs/dbraw/zinc/87/01/88/1066870188.db2.gz NCVHXIFYFPMLTD-SFHVURJKSA-N 0 0 450.333 4.562 20 0 JJADRN C[C@@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)[C@H](C)NC(=O)OC(C)(C)C ZINC001457579872 1066870269 /nfs/dbraw/zinc/87/02/69/1066870269.db2.gz VWLIGSPVQPQSJR-NEPJUHHUSA-N 0 0 457.021 4.972 20 0 JJADRN C[C@H](OC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1c(F)cccc1-n1cccn1 ZINC001457582237 1066870826 /nfs/dbraw/zinc/87/08/26/1066870826.db2.gz XFTDRDIFMAPFCR-NSHDSACASA-N 0 0 457.310 4.640 20 0 JJADRN C[C@@H](OC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1c(F)cccc1-n1cccn1 ZINC001457582230 1066870875 /nfs/dbraw/zinc/87/08/75/1066870875.db2.gz XFTDRDIFMAPFCR-LLVKDONJSA-N 0 0 457.310 4.640 20 0 JJADRN Cc1ccc(I)cc1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001447861462 1066870819 /nfs/dbraw/zinc/87/08/19/1066870819.db2.gz BGAFJEHIYWQDOZ-CQSZACIVSA-N 0 0 458.340 4.575 20 0 JJADRN O=C(CCCOc1ccc(F)cc1F)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001447867014 1066871498 /nfs/dbraw/zinc/87/14/98/1066871498.db2.gz ZJSNRRVLAVOJQG-IBGZPJMESA-N 0 0 458.274 4.626 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)CSc2ccc(C)cc2)C1(C)C ZINC001447864894 1066871669 /nfs/dbraw/zinc/87/16/69/1066871669.db2.gz GRIGUXXGZFUKOQ-ROMRWMGNSA-N 0 0 450.645 4.690 20 0 JJADRN Cc1nccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001492708288 1066871771 /nfs/dbraw/zinc/87/17/71/1066871771.db2.gz VSVCLWDKVRWWKV-HXUWFJFHSA-N 0 0 473.419 4.514 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001457586826 1066872359 /nfs/dbraw/zinc/87/23/59/1066872359.db2.gz ZAWWZTLAZNNTAE-LJQANCHMSA-N 0 0 455.382 4.917 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CCCC2(CCCC2)C1 ZINC001447871292 1066872934 /nfs/dbraw/zinc/87/29/34/1066872934.db2.gz JEPWDPBQSKBGGQ-UHFFFAOYSA-N 0 0 457.294 4.845 20 0 JJADRN Cc1nccn1CCCn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492708875 1066873163 /nfs/dbraw/zinc/87/31/63/1066873163.db2.gz OEFIVNONJYGKNM-UHFFFAOYSA-N 0 0 499.482 4.967 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cncc(Br)c2C)c1 ZINC001457592198 1066874100 /nfs/dbraw/zinc/87/41/00/1066874100.db2.gz JWQRYZHZAHJXAG-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)CCOCC1 ZINC001457592254 1066874107 /nfs/dbraw/zinc/87/41/07/1066874107.db2.gz UDDRXPPHTMXHJT-UHFFFAOYSA-N 0 0 453.501 4.850 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1)c1cccs1 ZINC001447895634 1066874178 /nfs/dbraw/zinc/87/41/78/1066874178.db2.gz AOQDVSUKSIXUEC-FQEVSTJZSA-N 0 0 458.942 4.684 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)F)C1)Oc1cccc(F)c1 ZINC001546001157 1066874215 /nfs/dbraw/zinc/87/42/15/1066874215.db2.gz HXRLZNHJHLBWSZ-ICSRJNTNSA-N 0 0 459.516 4.742 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCCCC1 ZINC001492710117 1066874600 /nfs/dbraw/zinc/87/46/00/1066874600.db2.gz DRTLDJRWDHQUKQ-UHFFFAOYSA-N 0 0 463.811 4.947 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 ZINC001457596968 1066874706 /nfs/dbraw/zinc/87/47/06/1066874706.db2.gz YTJCIBUEDPRYNM-UHFFFAOYSA-N 0 0 453.347 4.943 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492710273 1066875051 /nfs/dbraw/zinc/87/50/51/1066875051.db2.gz JNXTZOPRUNQJEX-LJQANCHMSA-N 0 0 493.450 4.630 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@H](Cc1nnc[nH]1)c1ccccc1 ZINC001447912400 1066875849 /nfs/dbraw/zinc/87/58/49/1066875849.db2.gz KITZKMMMFGZQOR-GOSISDBHSA-N 0 0 457.481 4.590 20 0 JJADRN Cc1nccn1CCn1c(CC(C)(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001492710797 1066876678 /nfs/dbraw/zinc/87/66/78/1066876678.db2.gz CBAJVRGTOKLHIZ-INIZCTEOSA-N 0 0 471.447 4.958 20 0 JJADRN Cc1nccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001492711378 1066876985 /nfs/dbraw/zinc/87/69/85/1066876985.db2.gz SGVXYFOZUKFHCY-KNQAVFIVSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492711894 1066877517 /nfs/dbraw/zinc/87/75/17/1066877517.db2.gz KIAAOMIXTRIRCD-KRWDZBQOSA-N 0 0 487.446 4.697 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1cc(-c2ccccc2F)no1 ZINC001457611109 1066878007 /nfs/dbraw/zinc/87/80/07/1066878007.db2.gz JMQCCEFQUZMZBB-HHHXNRCGSA-N 0 0 451.317 4.770 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492713359 1066878887 /nfs/dbraw/zinc/87/88/87/1066878887.db2.gz HHGCNCBEGMBJJS-IBGZPJMESA-N 0 0 469.431 4.921 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCc1ccccn1 ZINC001492713235 1066878979 /nfs/dbraw/zinc/87/89/79/1066878979.db2.gz BNUKPNKYIPGGDA-UHFFFAOYSA-N 0 0 465.964 4.543 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492713188 1066879012 /nfs/dbraw/zinc/87/90/12/1066879012.db2.gz ZVXKJKQQDUGIMW-SOLBZPMBSA-N 0 0 474.531 4.626 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)s2)nnc1N1CCC(OC(C)C)CC1 ZINC001492713408 1066879025 /nfs/dbraw/zinc/87/90/25/1066879025.db2.gz IUZCPNQOGXWNEO-UHFFFAOYSA-N 0 0 491.459 4.504 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCCc1ccccn1 ZINC001492713318 1066879109 /nfs/dbraw/zinc/87/91/09/1066879109.db2.gz FXFRYSIMXQNBLD-UHFFFAOYSA-N 0 0 492.425 4.513 20 0 JJADRN CN(C(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447940759 1066879471 /nfs/dbraw/zinc/87/94/71/1066879471.db2.gz IUNFYOYFXDBLDH-YHTLKTDXSA-N 0 0 452.334 4.672 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492713479 1066879583 /nfs/dbraw/zinc/87/95/83/1066879583.db2.gz LCERVIMOSWYNKA-UHFFFAOYSA-N 0 0 455.006 4.724 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2c(C)coc2C)CCO1 ZINC001546092524 1066879667 /nfs/dbraw/zinc/87/96/67/1066879667.db2.gz BGZSYELFPPBNOT-AREMUKBSSA-N 0 0 487.645 4.656 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC(C)C)CCO1 ZINC001546092519 1066879716 /nfs/dbraw/zinc/87/97/16/1066879716.db2.gz BGAMSHPGVBUXGZ-SANMLTNESA-N 0 0 493.693 4.603 20 0 JJADRN Cc1nccnc1CCn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001492714055 1066880925 /nfs/dbraw/zinc/88/09/25/1066880925.db2.gz BGWFUIIPNRJFIB-UHFFFAOYSA-N 0 0 455.006 4.521 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447952329 1066881264 /nfs/dbraw/zinc/88/12/64/1066881264.db2.gz VJXOCKMFOBBCBX-VQTJNVASSA-N 0 0 450.753 4.871 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001492714624 1066881405 /nfs/dbraw/zinc/88/14/05/1066881405.db2.gz KMKHOKCTNKGRJI-RCZVLFRGSA-N 0 0 462.642 4.812 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(C)C)cc2)cc1 ZINC001457619376 1066881507 /nfs/dbraw/zinc/88/15/07/1066881507.db2.gz ZQQNYPDXJJPYDH-NDEPHWFRSA-N 0 0 456.586 4.950 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)CCO1 ZINC001546092938 1066881670 /nfs/dbraw/zinc/88/16/70/1066881670.db2.gz HVPCRZPPHKWVHF-AUSIDOKSSA-N 0 0 482.547 4.823 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)OC ZINC001546001518 1066881664 /nfs/dbraw/zinc/88/16/64/1066881664.db2.gz OMBZRPMUUAKUSJ-INIZCTEOSA-N 0 0 471.524 4.853 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)c2)no1 ZINC001447955851 1066881686 /nfs/dbraw/zinc/88/16/86/1066881686.db2.gz GVFYVOURSZWDKS-MOPGFXCFSA-N 0 0 456.587 4.891 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001492716297 1066881889 /nfs/dbraw/zinc/88/18/89/1066881889.db2.gz FOQIIMUAEHLPNP-UHFFFAOYSA-N 0 0 459.598 4.798 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC001447957604 1066882250 /nfs/dbraw/zinc/88/22/50/1066882250.db2.gz IFIDJNWHNGAHCB-OAHLLOKOSA-N 0 0 450.526 4.792 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cccs1 ZINC001492716943 1066882603 /nfs/dbraw/zinc/88/26/03/1066882603.db2.gz DTNXKYOPCKGUAF-UHFFFAOYSA-N 0 0 472.565 4.837 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1ccnc(Oc2ccccc2F)c1 ZINC001492716732 1066882656 /nfs/dbraw/zinc/88/26/56/1066882656.db2.gz VNZKYYACWXNBTO-UHFFFAOYSA-N 0 0 477.588 4.937 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001457621308 1066882696 /nfs/dbraw/zinc/88/26/96/1066882696.db2.gz GVNPIGCONXZMBC-DYZYQPBXSA-N 0 0 457.702 4.621 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1cc2c(ccnc2Cl)s1 ZINC001457621464 1066882793 /nfs/dbraw/zinc/88/27/93/1066882793.db2.gz RGTIGJTWRUEGBC-UHFFFAOYSA-N 0 0 452.696 4.889 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001447958834 1066882788 /nfs/dbraw/zinc/88/27/88/1066882788.db2.gz JGUHHEKOIRUGEZ-HOTGVXAUSA-N 0 0 453.674 4.981 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)C(C)C ZINC001492717134 1066883221 /nfs/dbraw/zinc/88/32/21/1066883221.db2.gz KNAYXEPKBHBDKM-JOCHJYFZSA-N 0 0 465.429 4.646 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(C)c1OCc1cccnc1 ZINC001447959671 1066883376 /nfs/dbraw/zinc/88/33/76/1066883376.db2.gz QJLUQEXMDOMIFL-YADHBBJMSA-N 0 0 453.583 4.843 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(C)c1OCc1cccnc1 ZINC001447959667 1066883417 /nfs/dbraw/zinc/88/34/17/1066883417.db2.gz QJLUQEXMDOMIFL-VXKWHMMOSA-N 0 0 453.583 4.843 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1CCSC(F)(F)F ZINC001492716984 1066883344 /nfs/dbraw/zinc/88/33/44/1066883344.db2.gz GBGYWMDWHDZQFJ-UHFFFAOYSA-N 0 0 458.941 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCSC2(CCOCC2)C1)CC1CCCCC1 ZINC001447964180 1066883806 /nfs/dbraw/zinc/88/38/06/1066883806.db2.gz NCMSCMPRFLRJEN-FQEVSTJZSA-N 0 0 454.677 4.755 20 0 JJADRN CC1(C)Cc2cc(C(=O)NCc3c(F)cccc3NS(C)(=O)=O)sc2-c2ccccc21 ZINC001457622857 1066883881 /nfs/dbraw/zinc/88/38/81/1066883881.db2.gz TVMZCLKBBGTCNP-UHFFFAOYSA-N 0 0 458.580 4.689 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccs1 ZINC001492717206 1066883899 /nfs/dbraw/zinc/88/38/99/1066883899.db2.gz MZTBUBXQBGMDRJ-UHFFFAOYSA-N 0 0 477.457 4.866 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001492717467 1066884265 /nfs/dbraw/zinc/88/42/65/1066884265.db2.gz RSTWTXVPDPTCEQ-MAUKXSAKSA-N 0 0 475.012 4.930 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)c(OC[C@H]2CCOC2)c1 ZINC001457624904 1066884486 /nfs/dbraw/zinc/88/44/86/1066884486.db2.gz NMUMFKHTJAHVLW-KRWDZBQOSA-N 0 0 452.938 4.761 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001492717764 1066884818 /nfs/dbraw/zinc/88/48/18/1066884818.db2.gz VPIQOMWOPANRTC-XJKSGUPXSA-N 0 0 493.475 4.571 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H](C)C1 ZINC001492717762 1066884888 /nfs/dbraw/zinc/88/48/88/1066884888.db2.gz VPIQOMWOPANRTC-CJNGLKHVSA-N 0 0 493.475 4.571 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C ZINC001492717555 1066884893 /nfs/dbraw/zinc/88/48/93/1066884893.db2.gz UIFQTUHYBXYGBA-UHFFFAOYSA-N 0 0 488.036 4.500 20 0 JJADRN COc1ccc(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c(OCc2ccccc2)c1 ZINC001447967822 1066884920 /nfs/dbraw/zinc/88/49/20/1066884920.db2.gz OKLNNHDUYHDLKW-GNBJCERTSA-N 0 0 452.551 4.906 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCC(C)C)CCO1 ZINC001546092970 1066884970 /nfs/dbraw/zinc/88/49/70/1066884970.db2.gz IDBNEBRTYOXJIJ-NBGIEHNGSA-N 0 0 495.734 4.787 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001457626809 1066884996 /nfs/dbraw/zinc/88/49/96/1066884996.db2.gz GBNUJQZYLPHQJP-UHFFFAOYSA-N 0 0 453.372 4.628 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C1(C)C ZINC001447968211 1066884994 /nfs/dbraw/zinc/88/49/94/1066884994.db2.gz DUSGOGRDPIELEG-GSHUGGBRSA-N 0 0 458.521 4.547 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC001447970739 1066885497 /nfs/dbraw/zinc/88/54/97/1066885497.db2.gz VMXZWUSFLYNZRN-UHFFFAOYSA-N 0 0 455.444 4.966 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 ZINC001492717842 1066885540 /nfs/dbraw/zinc/88/55/40/1066885540.db2.gz YHCVCCJDYSIJJZ-HSZRJFAPSA-N 0 0 471.030 4.554 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001492718003 1066885947 /nfs/dbraw/zinc/88/59/47/1066885947.db2.gz ZGYCPQFUWFDGKP-OAHLLOKOSA-N 0 0 483.979 4.587 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 ZINC001492718050 1066886056 /nfs/dbraw/zinc/88/60/56/1066886056.db2.gz QSKGIEADQAZROS-UHFFFAOYSA-N 0 0 473.478 4.533 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1 ZINC001492717957 1066886073 /nfs/dbraw/zinc/88/60/73/1066886073.db2.gz YOKIGPIEABZBLA-OALUTQOASA-N 0 0 472.634 4.830 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1Br ZINC001457630873 1066885975 /nfs/dbraw/zinc/88/59/75/1066885975.db2.gz CUTOWAXJIYIVMP-UHFFFAOYSA-N 0 0 451.792 4.848 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCSC1)Oc1ccccc1F ZINC001546001698 1066886097 /nfs/dbraw/zinc/88/60/97/1066886097.db2.gz RVBNQDJRGVRKEP-MSOLQXFVSA-N 0 0 461.632 4.572 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001447975494 1066886278 /nfs/dbraw/zinc/88/62/78/1066886278.db2.gz WEQTZYBLRFRMJA-CTNGQTDRSA-N 0 0 457.412 4.899 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001457631289 1066886219 /nfs/dbraw/zinc/88/62/19/1066886219.db2.gz XOFPAKKAYVWTQZ-DHZHZOJOSA-N 0 0 457.368 4.738 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1Cc1ccsc1 ZINC001492718156 1066886597 /nfs/dbraw/zinc/88/65/97/1066886597.db2.gz VFTDBJHPVYSTKJ-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccsc1 ZINC001492717633 1066886654 /nfs/dbraw/zinc/88/66/54/1066886654.db2.gz VHZRDSYKBLJCJF-SFHVURJKSA-N 0 0 468.602 4.848 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492718580 1066887339 /nfs/dbraw/zinc/88/73/39/1066887339.db2.gz KMXPHCRTTGPRHJ-UHFFFAOYSA-N 0 0 497.569 4.902 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)c(Cl)c1 ZINC001457635632 1066887859 /nfs/dbraw/zinc/88/78/59/1066887859.db2.gz YDCAGHCOCWIPQO-UHFFFAOYSA-N 0 0 458.902 4.646 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1 ZINC001457634634 1066887921 /nfs/dbraw/zinc/88/79/21/1066887921.db2.gz JLRPVZNJPVZYLA-ZJSXRUAMSA-N 0 0 450.485 4.569 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc3nnc(C(F)F)n3c2)CC1 ZINC001447983293 1066887991 /nfs/dbraw/zinc/88/79/91/1066887991.db2.gz RYWRBOKQGKEHJH-UHFFFAOYSA-N 0 0 456.493 4.642 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492719038 1066888001 /nfs/dbraw/zinc/88/80/01/1066888001.db2.gz XLBRCUIYQVQDHN-UHFFFAOYSA-N 0 0 469.703 4.994 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492719150 1066888365 /nfs/dbraw/zinc/88/83/65/1066888365.db2.gz DIBXBSABTOACNC-JTSKRJEESA-N 0 0 485.677 4.568 20 0 JJADRN CN1CCN([C@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001457637138 1066888492 /nfs/dbraw/zinc/88/84/92/1066888492.db2.gz WMGOVGMIVLWLNK-VWLOTQADSA-N 0 0 451.973 4.751 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC001447986215 1066888543 /nfs/dbraw/zinc/88/85/43/1066888543.db2.gz IJDLLNVOXDUSJI-SXLOBPIMSA-N 0 0 456.633 4.857 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492718911 1066888819 /nfs/dbraw/zinc/88/88/19/1066888819.db2.gz WABJEOUCCULQDS-WZONZLPQSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 ZINC001492719389 1066888826 /nfs/dbraw/zinc/88/88/26/1066888826.db2.gz JNDUTJYZVHUSPX-NRFANRHFSA-N 0 0 499.704 4.816 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 ZINC001492719390 1066888884 /nfs/dbraw/zinc/88/88/84/1066888884.db2.gz JNDUTJYZVHUSPX-OAQYLSRUSA-N 0 0 499.704 4.816 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(OCc2ccccn2)cc1 ZINC001492719682 1066888933 /nfs/dbraw/zinc/88/89/33/1066888933.db2.gz SFSBJHSBTIWMNB-UHFFFAOYSA-N 0 0 487.652 4.876 20 0 JJADRN CC(C)c1nc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1Cl ZINC001457640212 1066889200 /nfs/dbraw/zinc/88/92/00/1066889200.db2.gz AHOBAAKNRYGZJA-UHFFFAOYSA-N 0 0 458.393 4.656 20 0 JJADRN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)c2sc3cccc(F)c3c2Cl)cc1 ZINC001457639751 1066889231 /nfs/dbraw/zinc/88/92/31/1066889231.db2.gz KNFAADZLJASWHI-UHFFFAOYSA-N 0 0 458.902 4.608 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c2cc(Br)ccc2n1 ZINC001457637849 1066889244 /nfs/dbraw/zinc/88/92/44/1066889244.db2.gz XVOXFGIMUCBEGX-UHFFFAOYSA-N 0 0 458.787 4.917 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC001457638247 1066889287 /nfs/dbraw/zinc/88/92/87/1066889287.db2.gz ZGZYEOVETIBMKF-SANMLTNESA-N 0 0 459.565 4.995 20 0 JJADRN Cc1oc2ccc(NC(=O)c3cnc4ccc(I)cc4c3O)cc2c1C ZINC001447999294 1066889389 /nfs/dbraw/zinc/88/93/89/1066889389.db2.gz WCXZXDLRTLLYPM-UHFFFAOYSA-N 0 0 458.255 4.748 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001492720226 1066889519 /nfs/dbraw/zinc/88/95/19/1066889519.db2.gz IYTLVNUNUZWAOW-NJAFHUGGSA-N 0 0 475.062 4.800 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C)s2)CCO1 ZINC001546092548 1066889596 /nfs/dbraw/zinc/88/95/96/1066889596.db2.gz BLPGARPQFOFEIJ-RUZDIDTESA-N 0 0 489.686 4.816 20 0 JJADRN CC[C@](O)(CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001448004759 1066889853 /nfs/dbraw/zinc/88/98/53/1066889853.db2.gz NFILMZPCPSKYMD-VWNXMTODSA-N 0 0 453.380 4.932 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001492720407 1066889942 /nfs/dbraw/zinc/88/99/42/1066889942.db2.gz OAQQTCZUKQPQFL-LPHOPBHVSA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CC1 ZINC001492720405 1066890034 /nfs/dbraw/zinc/89/00/34/1066890034.db2.gz NZXGVXQPHPTEQU-UHFFFAOYSA-N 0 0 463.413 4.951 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(C)cc(Br)c2N)c2ccccc2OC)cc1 ZINC001546002203 1066890429 /nfs/dbraw/zinc/89/04/29/1066890429.db2.gz CLPTXYCTKIGQMI-JOCHJYFZSA-N 0 0 455.352 4.876 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492720674 1066890428 /nfs/dbraw/zinc/89/04/28/1066890428.db2.gz XJUJJZVXNNBHSQ-WOJBJXKFSA-N 0 0 454.594 4.828 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)CCCC[C@H]12 ZINC001448020760 1066891096 /nfs/dbraw/zinc/89/10/96/1066891096.db2.gz LXMQFQUMUFZTPV-VWQFJMCTSA-N 0 0 481.559 4.970 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)Cc2coc3c2ccc(Cl)c3Cl)c1 ZINC001457658643 1066891419 /nfs/dbraw/zinc/89/14/19/1066891419.db2.gz WQEPVDMXOUGYOV-LBPRGKRZSA-N 0 0 455.363 4.998 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)cc1 ZINC001457660111 1066891475 /nfs/dbraw/zinc/89/14/75/1066891475.db2.gz FZNZRBPZXVFFQZ-XMMPIXPASA-N 0 0 451.588 4.712 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)Cc2coc3c2ccc(Cl)c3Cl)c1 ZINC001457658641 1066891643 /nfs/dbraw/zinc/89/16/43/1066891643.db2.gz WQEPVDMXOUGYOV-GFCCVEGCSA-N 0 0 455.363 4.998 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 ZINC001457659624 1066891677 /nfs/dbraw/zinc/89/16/77/1066891677.db2.gz NRADZDXBOSESIC-CQSZACIVSA-N 0 0 454.643 4.512 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC001457661783 1066892202 /nfs/dbraw/zinc/89/22/02/1066892202.db2.gz RSFGYYHGISNNCV-UHFFFAOYSA-N 0 0 450.766 4.906 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 ZINC001492721412 1066892831 /nfs/dbraw/zinc/89/28/31/1066892831.db2.gz XVTHFYYDCQAPOM-LBPRGKRZSA-N 0 0 463.811 4.606 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCC[C@@H]1C(=O)OCC ZINC001448031486 1066892810 /nfs/dbraw/zinc/89/28/10/1066892810.db2.gz XMVLGPNBWINBBW-QGZVFWFLSA-N 0 0 457.518 4.501 20 0 JJADRN CCCc1c(C(=O)Nc2cc(OC)c(OC)cc2OC)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001457665808 1066893134 /nfs/dbraw/zinc/89/31/34/1066893134.db2.gz PHDMBMSZXJUVDI-UHFFFAOYSA-N 0 0 452.555 4.795 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C)CC2 ZINC001448034687 1066893295 /nfs/dbraw/zinc/89/32/95/1066893295.db2.gz XNWDDZCCDAMQCI-JOCHJYFZSA-N 0 0 457.412 4.795 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2Cc3cccc(Br)c3C2)cc1 ZINC001448046247 1066893405 /nfs/dbraw/zinc/89/34/05/1066893405.db2.gz CVZQATJDZBOTPZ-NRFANRHFSA-N 0 0 458.400 4.514 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Cl)cc1Br ZINC001457665686 1066893814 /nfs/dbraw/zinc/89/38/14/1066893814.db2.gz ZJAONSDVEJPJAA-LLVKDONJSA-N 0 0 458.537 4.930 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CCOc2ccccc2)nnc1N(CC(C)C)C1CCCC1 ZINC001492722822 1066893815 /nfs/dbraw/zinc/89/38/15/1066893815.db2.gz QHIHUGQWUUFIAU-UHFFFAOYSA-N 0 0 450.631 4.703 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cccs1 ZINC001492722799 1066893836 /nfs/dbraw/zinc/89/38/36/1066893836.db2.gz PNPKZIWCIYDIMT-UHFFFAOYSA-N 0 0 455.031 4.661 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492722869 1066893896 /nfs/dbraw/zinc/89/38/96/1066893896.db2.gz SSWRQFPFVIGWSF-GOSISDBHSA-N 0 0 499.704 4.539 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C1 ZINC001457671015 1066894350 /nfs/dbraw/zinc/89/43/50/1066894350.db2.gz TUOUABVGQNVQPV-NVXWUHKLSA-N 0 0 454.564 4.831 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(N2CCC[C@H](c3nc(C(C)C)cs3)C2)nnc1C(C)(C)C ZINC001492723363 1066894364 /nfs/dbraw/zinc/89/43/64/1066894364.db2.gz LDUNKYJIYYRJHI-SFHVURJKSA-N 0 0 455.676 4.938 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)OC(C)C ZINC001448055504 1066894593 /nfs/dbraw/zinc/89/45/93/1066894593.db2.gz XWYBPXXBVIDLFP-SFHVURJKSA-N 0 0 459.896 4.847 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(C)C)CC1 ZINC001492723631 1066895022 /nfs/dbraw/zinc/89/50/22/1066895022.db2.gz VWDXCAKFQOHDDD-UHFFFAOYSA-N 0 0 484.092 4.631 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C(C)(C)C)C2)n(C)n1 ZINC001492724887 1066895359 /nfs/dbraw/zinc/89/53/59/1066895359.db2.gz KYDDXEHSYSKEOQ-AWEZNQCLSA-N 0 0 463.449 4.732 20 0 JJADRN NC(=O)C[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1Cl ZINC001457674245 1066895508 /nfs/dbraw/zinc/89/55/08/1066895508.db2.gz GSHXLHGPRBVCIB-HNNXBMFYSA-N 0 0 453.873 4.829 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001448068913 1066895624 /nfs/dbraw/zinc/89/56/24/1066895624.db2.gz NTACNJDMKPWNHZ-OAHLLOKOSA-N 0 0 452.339 4.502 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n(C)n1 ZINC001492725067 1066895961 /nfs/dbraw/zinc/89/59/61/1066895961.db2.gz RDOOUKHFPRBDTI-NRFANRHFSA-N 0 0 490.574 4.881 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001457682431 1066895996 /nfs/dbraw/zinc/89/59/96/1066895996.db2.gz DYVSIIJSDNVZIV-UHFFFAOYSA-N 0 0 459.310 4.606 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H]2C(C)C)n(C)n1 ZINC001492724964 1066896003 /nfs/dbraw/zinc/89/60/03/1066896003.db2.gz NOCLWKNADITHAC-IBGZPJMESA-N 0 0 461.383 4.562 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)Nc2cc(CCc3ccccc3)ccn2)c1)OCC(F)(F)F ZINC001457683051 1066896380 /nfs/dbraw/zinc/89/63/80/1066896380.db2.gz SMSWALTYLZAJGA-UHFFFAOYSA-N 0 0 459.424 4.936 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1Br ZINC001457681224 1066896416 /nfs/dbraw/zinc/89/64/16/1066896416.db2.gz MUTPLVCUNCIQOP-CQSZACIVSA-N 0 0 457.413 4.784 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@H](C)[C@H](C)C2)n(C)n1 ZINC001492725836 1066896509 /nfs/dbraw/zinc/89/65/09/1066896509.db2.gz VLBQLRRDJGACKD-PKOBYXMFSA-N 0 0 471.049 4.824 20 0 JJADRN CCc1[nH]nc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1Br ZINC001457685241 1066896973 /nfs/dbraw/zinc/89/69/73/1066896973.db2.gz YMCOYKROFOOWRI-UHFFFAOYSA-N 0 0 454.328 4.522 20 0 JJADRN CCc1[nH]nc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1Br ZINC001457684404 1066897004 /nfs/dbraw/zinc/89/70/04/1066897004.db2.gz XLPAKPPHWVYADP-UHFFFAOYSA-N 0 0 455.238 4.539 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1)c1cccc(Br)c1 ZINC001448077613 1066897594 /nfs/dbraw/zinc/89/75/94/1066897594.db2.gz HLVKXRPXBKHDST-OAQYLSRUSA-N 0 0 457.368 4.733 20 0 JJADRN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001448075171 1066897605 /nfs/dbraw/zinc/89/76/05/1066897605.db2.gz XRBXMKITZVYBDV-UHFFFAOYSA-N 0 0 457.958 4.630 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(N4CCC(OC(C)(C)C)CC4)nnc3C(C)(C)C)cn2)n1 ZINC001492728220 1066897567 /nfs/dbraw/zinc/89/75/67/1066897567.db2.gz WVLNVPAWASJVPY-UHFFFAOYSA-N 0 0 465.646 4.605 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1 ZINC001457688497 1066897745 /nfs/dbraw/zinc/89/77/45/1066897745.db2.gz LXAZWZQFUZMXMP-OAHLLOKOSA-N 0 0 453.873 4.829 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC001448079233 1066898092 /nfs/dbraw/zinc/89/80/92/1066898092.db2.gz CWVPAUMPPAPENJ-UHFFFAOYSA-N 0 0 456.999 4.736 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001448079820 1066898098 /nfs/dbraw/zinc/89/80/98/1066898098.db2.gz ZQVCAWSZUGNXEO-MHECFPHRSA-N 0 0 455.396 4.776 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001448079795 1066898195 /nfs/dbraw/zinc/89/81/95/1066898195.db2.gz ZQVCAWSZUGNXEO-KOSHJBKYSA-N 0 0 455.396 4.776 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccccc3Cl)C2)n1 ZINC001492728490 1066898138 /nfs/dbraw/zinc/89/81/38/1066898138.db2.gz FGCPNRWESQAOHR-IBGZPJMESA-N 0 0 457.022 4.963 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c2ccccc2N1 ZINC001457690415 1066898247 /nfs/dbraw/zinc/89/82/47/1066898247.db2.gz IHJPETJEWQAFCJ-FQEVSTJZSA-N 0 0 454.571 4.886 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001448091998 1066898899 /nfs/dbraw/zinc/89/88/99/1066898899.db2.gz GNAKQMDOCAHKKL-IBVKSMDESA-N 0 0 455.599 4.788 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N(C)CCOCC2CC2)n1 ZINC001492729202 1066898769 /nfs/dbraw/zinc/89/87/69/1066898769.db2.gz XGFDZEFESVFCJJ-UHFFFAOYSA-N 0 0 450.631 4.580 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)c1cccc(Cl)c1 ZINC001457695571 1066898938 /nfs/dbraw/zinc/89/89/38/1066898938.db2.gz YUQSQXPGKIFQGB-CQSZACIVSA-N 0 0 454.754 4.604 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)C1)c1cc2ccccc2o1 ZINC001457695579 1066899058 /nfs/dbraw/zinc/89/90/58/1066899058.db2.gz JSARABKITYMIQB-AWEZNQCLSA-N 0 0 452.379 4.764 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(F)F)C2)n1 ZINC001492729488 1066899283 /nfs/dbraw/zinc/89/92/83/1066899283.db2.gz DKCQVZCENSXITQ-LJQANCHMSA-N 0 0 464.948 4.883 20 0 JJADRN CC1(C)CC(=O)c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)c(=O)[nH]c2C1 ZINC001448099633 1066899381 /nfs/dbraw/zinc/89/93/81/1066899381.db2.gz ULQKIOTVUXAMEJ-HNNXBMFYSA-N 0 0 458.942 4.796 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c(O)c1 ZINC001448097935 1066899485 /nfs/dbraw/zinc/89/94/85/1066899485.db2.gz QOGGZOQTXDSHJB-UHFFFAOYSA-N 0 0 451.523 4.681 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCCC(C)C)C2)n1 ZINC001492729729 1066899820 /nfs/dbraw/zinc/89/98/20/1066899820.db2.gz JAWDIHLAPUVROI-NRFANRHFSA-N 0 0 472.037 4.711 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCOC(C)C)C2)n1 ZINC001492729812 1066899842 /nfs/dbraw/zinc/89/98/42/1066899842.db2.gz KPAXDDOWTFTAHR-HXUWFJFHSA-N 0 0 474.556 4.626 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)CCOc3ccc(Cl)cc3Br)nc2c1 ZINC001448107047 1066900139 /nfs/dbraw/zinc/90/01/39/1066900139.db2.gz URDIMYDOIJJGMO-NSHDSACASA-N 0 0 452.736 4.634 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1)c1cccnc1 ZINC001448109008 1066900383 /nfs/dbraw/zinc/90/03/83/1066900383.db2.gz KMBMDKPPIKHSME-INIZCTEOSA-N 0 0 451.910 4.655 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1cccnc1I)C(C)(C)C ZINC001457704663 1066900472 /nfs/dbraw/zinc/90/04/72/1066900472.db2.gz AIIOKRINMVBNKY-INIZCTEOSA-N 0 0 452.336 4.527 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)nc2c1 ZINC001448107155 1066900577 /nfs/dbraw/zinc/90/05/77/1066900577.db2.gz VVKAITLPILSHHT-QWRGUYRKSA-N 0 0 452.736 4.632 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492730395 1066900665 /nfs/dbraw/zinc/90/06/65/1066900665.db2.gz VMNSMWIZRBAGQV-JOCHJYFZSA-N 0 0 479.629 4.515 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCCc3ccnc(C(C)(C)C)n3)C2)n1 ZINC001492730367 1066900686 /nfs/dbraw/zinc/90/06/86/1066900686.db2.gz UZAJPLFHOWMABA-JOCHJYFZSA-N 0 0 464.662 4.777 20 0 JJADRN O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001457707388 1066900840 /nfs/dbraw/zinc/90/08/40/1066900840.db2.gz PLWTUCAUMYFTDR-DYESRHJHSA-N 0 0 450.362 4.977 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)c3cnc(-c4ccccc4Br)s3)nc2c1 ZINC001448114455 1066900907 /nfs/dbraw/zinc/90/09/07/1066900907.db2.gz HKDRTFNUNJJWGT-NSHDSACASA-N 0 0 457.353 4.949 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCOC(F)(F)F)C2)n1 ZINC001492730734 1066901153 /nfs/dbraw/zinc/90/11/53/1066901153.db2.gz CDWBSVVVMXVLCW-IBGZPJMESA-N 0 0 480.510 4.589 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC001457709284 1066901179 /nfs/dbraw/zinc/90/11/79/1066901179.db2.gz IRHLUMFHSQWIQM-INIZCTEOSA-N 0 0 450.340 4.620 20 0 JJADRN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001457709329 1066901199 /nfs/dbraw/zinc/90/11/99/1066901199.db2.gz DDSIIXKEIOOKFI-UHFFFAOYSA-N 0 0 450.724 4.794 20 0 JJADRN Cc1c2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)sc2ccc1F ZINC001457708490 1066901310 /nfs/dbraw/zinc/90/13/10/1066901310.db2.gz YVZHFHMKTYVZMU-UHFFFAOYSA-N 0 0 459.499 4.936 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2ccn(C3CCCC3)n2)ccc1OCc1c(C)noc1C ZINC001457709495 1066901358 /nfs/dbraw/zinc/90/13/58/1066901358.db2.gz ADPGEYLTTJISCV-LUAWRHEFSA-N 0 0 450.539 4.520 20 0 JJADRN CC(=O)c1sc(NC(=O)c2nc3ccc(Br)cn3c2F)nc1-c1ccccc1 ZINC001448116813 1066901443 /nfs/dbraw/zinc/90/14/43/1066901443.db2.gz IHXAQGYDPCFNBU-UHFFFAOYSA-N 0 0 459.300 4.814 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N(C)CC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492731126 1066901520 /nfs/dbraw/zinc/90/15/20/1066901520.db2.gz LSBBXAFEBIUFDH-MUUNZHRXSA-N 0 0 494.684 4.711 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N(C)CC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492731127 1066901654 /nfs/dbraw/zinc/90/16/54/1066901654.db2.gz LSBBXAFEBIUFDH-NDEPHWFRSA-N 0 0 494.684 4.711 20 0 JJADRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(Cl)ccc1I ZINC001457709745 1066901690 /nfs/dbraw/zinc/90/16/90/1066901690.db2.gz FQMZZWMGHFUMTG-SNVBAGLBSA-N 0 0 456.736 4.915 20 0 JJADRN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1F ZINC001457709874 1066901754 /nfs/dbraw/zinc/90/17/54/1066901754.db2.gz FBULKBWVUYLEEG-UHFFFAOYSA-N 0 0 457.914 4.615 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCc3csc(C(C)C)n3)C2)n1 ZINC001492731255 1066901861 /nfs/dbraw/zinc/90/18/61/1066901861.db2.gz OZIBBUSDGCABLY-NRFANRHFSA-N 0 0 455.676 4.954 20 0 JJADRN CCC[C@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC001457712190 1066902191 /nfs/dbraw/zinc/90/21/91/1066902191.db2.gz JJLHWGIRLUDXLB-SFHVURJKSA-N 0 0 454.592 4.856 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1O[C@H]1CCOC1 ZINC001457712691 1066902402 /nfs/dbraw/zinc/90/24/02/1066902402.db2.gz AVWBHVQRTFZEIJ-KRWDZBQOSA-N 0 0 459.365 4.922 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccccc4F)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492731333 1066902439 /nfs/dbraw/zinc/90/24/39/1066902439.db2.gz QWHOGYLNCBCAIR-CUNXSJBXSA-N 0 0 498.647 4.838 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492731332 1066902450 /nfs/dbraw/zinc/90/24/50/1066902450.db2.gz QWHOGYLNCBCAIR-AMGIVPHBSA-N 0 0 498.647 4.838 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492731331 1066902481 /nfs/dbraw/zinc/90/24/81/1066902481.db2.gz QWHOGYLNCBCAIR-AJTFRIOCSA-N 0 0 498.647 4.838 20 0 JJADRN CC(=O)Nc1sc(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccccc1 ZINC001448126795 1066902562 /nfs/dbraw/zinc/90/25/62/1066902562.db2.gz UFNWBPFPLNXVTA-INIZCTEOSA-N 0 0 458.584 4.744 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1C(C)(C)C ZINC001492731629 1066902902 /nfs/dbraw/zinc/90/29/02/1066902902.db2.gz VQECFUKVKBIQPC-ROUUACIJSA-N 0 0 452.672 4.816 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)n1 ZINC001492731462 1066902929 /nfs/dbraw/zinc/90/29/29/1066902929.db2.gz AQRHAANZAWSALE-JCTONOIOSA-N 0 0 480.657 4.508 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1F ZINC001546002975 1066903576 /nfs/dbraw/zinc/90/35/76/1066903576.db2.gz BCUORFSFMBXJLT-QGZVFWFLSA-N 0 0 489.020 4.950 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(COC)CC1)Oc1ccccc1F ZINC001546002952 1066903625 /nfs/dbraw/zinc/90/36/25/1066903625.db2.gz ARCYXIGJFIALGH-FQEVSTJZSA-N 0 0 458.603 4.790 20 0 JJADRN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1oc2ccccc2c1CSc1ccccc1F ZINC001448134157 1066903936 /nfs/dbraw/zinc/90/39/36/1066903936.db2.gz MDQPAYLPQAPQRB-UHFFFAOYSA-N 0 0 450.417 4.931 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001492732143 1066904100 /nfs/dbraw/zinc/90/41/00/1066904100.db2.gz JSPDFBGONPPECF-IBGZPJMESA-N 0 0 487.674 4.656 20 0 JJADRN C[C@H](NC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O)c1ccc(Cl)c2ccccc21 ZINC001448132119 1066904098 /nfs/dbraw/zinc/90/40/98/1066904098.db2.gz PXXJJVZVFKYORV-QMTYFTJSSA-N 0 0 450.966 4.746 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001448138100 1066904378 /nfs/dbraw/zinc/90/43/78/1066904378.db2.gz UBXOWLPTAGFUSJ-SFHVURJKSA-N 0 0 457.137 4.866 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)nc1C(C)C ZINC001457723015 1066904819 /nfs/dbraw/zinc/90/48/19/1066904819.db2.gz FVSYVQWNKVCGPC-LJQANCHMSA-N 0 0 451.548 4.553 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CCC(O)(c3c(F)cccc3F)CC1)ccc2Br ZINC001448152881 1066904792 /nfs/dbraw/zinc/90/47/92/1066904792.db2.gz IGSWJOQWSGEZKS-UHFFFAOYSA-N 0 0 450.279 4.906 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001448150789 1066904891 /nfs/dbraw/zinc/90/48/91/1066904891.db2.gz BNRREBFQSKTFLY-UHFFFAOYSA-N 0 0 454.951 4.856 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cc(C)cc(F)c2)cc1 ZINC001457725398 1066905248 /nfs/dbraw/zinc/90/52/48/1066905248.db2.gz OOMFJGHNNGGMTF-UHFFFAOYSA-N 0 0 452.507 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2ccc([C@H](C)O)cc2)n1 ZINC001492732626 1066905629 /nfs/dbraw/zinc/90/56/29/1066905629.db2.gz SFENQAVFOQTLPU-OALUTQOASA-N 0 0 450.612 4.500 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CCCC2CCOCC2)n1 ZINC001492732718 1066906098 /nfs/dbraw/zinc/90/60/98/1066906098.db2.gz UPFCESGZPQSGMM-HXUWFJFHSA-N 0 0 454.594 4.683 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001492732762 1066906207 /nfs/dbraw/zinc/90/62/07/1066906207.db2.gz VJAIAOOIVAOXMH-LVXARBLLSA-N 0 0 450.631 4.587 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001457732039 1066906231 /nfs/dbraw/zinc/90/62/31/1066906231.db2.gz OQEJGJAUSUWGOB-FQEVSTJZSA-N 0 0 452.555 4.524 20 0 JJADRN C[C@@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001448167711 1066906309 /nfs/dbraw/zinc/90/63/09/1066906309.db2.gz ZQELSFUISPWSFH-AWEZNQCLSA-N 0 0 451.386 4.558 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@@H]2CCCCS2)n1 ZINC001492733028 1066906637 /nfs/dbraw/zinc/90/66/37/1066906637.db2.gz ZRDREYVZJZIGPA-HKUYNNGSSA-N 0 0 460.598 4.901 20 0 JJADRN O=C(c1nccc2cccnc21)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001448173456 1066906636 /nfs/dbraw/zinc/90/66/36/1066906636.db2.gz NBMMVYXUQDUDPW-INIZCTEOSA-N 0 0 455.358 4.881 20 0 JJADRN CCSc1cc(CNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC001448169731 1066906704 /nfs/dbraw/zinc/90/67/04/1066906704.db2.gz WNKMLTUTCBLDNL-UHFFFAOYSA-N 0 0 455.624 4.779 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2Cc2ccoc2)n1 ZINC001492733394 1066907078 /nfs/dbraw/zinc/90/70/78/1066907078.db2.gz JGNBVTFDWYPAFR-FQEVSTJZSA-N 0 0 487.377 4.691 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492733619 1066907481 /nfs/dbraw/zinc/90/74/81/1066907481.db2.gz OLKBUQAITOCEOR-QFBILLFUSA-N 0 0 455.676 4.957 20 0 JJADRN O=C(NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)c1ccc(N2CCOCC2)nc1 ZINC001448182946 1066907545 /nfs/dbraw/zinc/90/75/45/1066907545.db2.gz AJOQUCNHYRYLTG-UHFFFAOYSA-N 0 0 458.345 4.947 20 0 JJADRN Cn1c(=O)[nH]c2ccc(NC(=O)c3ccccc3OCc3ccc(Br)cc3)cc21 ZINC001448183159 1066907669 /nfs/dbraw/zinc/90/76/69/1066907669.db2.gz YXCVMOOMWWTCAX-UHFFFAOYSA-N 0 0 452.308 4.873 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001457738481 1066907683 /nfs/dbraw/zinc/90/76/83/1066907683.db2.gz AFIYFQMNDRQFOB-NSHDSACASA-N 0 0 457.258 4.849 20 0 JJADRN C[S@@](=O)c1cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001457739479 1066907692 /nfs/dbraw/zinc/90/76/92/1066907692.db2.gz XQCBOGHWXJWZRO-APYJYERMSA-N 0 0 452.576 4.573 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC2CC(C)(C)C2)n1 ZINC001492734847 1066908262 /nfs/dbraw/zinc/90/82/62/1066908262.db2.gz ATPIGJMRIRJSBW-UHFFFAOYSA-N 0 0 450.631 5.000 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)Nc1cccc(-c2c[nH]nn2)c1 ZINC001457740683 1066908290 /nfs/dbraw/zinc/90/82/90/1066908290.db2.gz CYRXHPQQIAFBAJ-UHFFFAOYSA-N 0 0 456.163 4.630 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3(c4ccccc4)CC3)n2CCSCC(F)(F)F)n1 ZINC001492734923 1066908298 /nfs/dbraw/zinc/90/82/98/1066908298.db2.gz DSTMENYFZNJNBV-UHFFFAOYSA-N 0 0 478.588 4.603 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001546003384 1066908509 /nfs/dbraw/zinc/90/85/09/1066908509.db2.gz INLHKUBSOBSXBZ-FQEVSTJZSA-N 0 0 464.614 4.810 20 0 JJADRN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001457741907 1066908468 /nfs/dbraw/zinc/90/84/68/1066908468.db2.gz GCJCCRVLRZDAIV-XUZZJYLKSA-N 0 0 457.542 4.834 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3C)n2Cc2ccccc2OC(F)(F)F)n1 ZINC001492735175 1066908533 /nfs/dbraw/zinc/90/85/33/1066908533.db2.gz MHIIBSPVCICDAV-UHFFFAOYSA-N 0 0 474.487 4.624 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CCc2nc(C)c(C)s2)n1 ZINC001492735168 1066908623 /nfs/dbraw/zinc/90/86/23/1066908623.db2.gz LZJWJBHRUDRAOK-UHFFFAOYSA-N 0 0 488.036 4.885 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743087 1066908886 /nfs/dbraw/zinc/90/88/86/1066908886.db2.gz RMMDVNNUHTXRPT-ADYPVZHUSA-N 0 0 450.554 4.744 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NC[C@@H](O)c2cccc(Br)c2)ccc1Br ZINC001448196342 1066908969 /nfs/dbraw/zinc/90/89/69/1066908969.db2.gz WCUMFLFVMXYBMK-QGZVFWFLSA-N 0 0 455.190 4.647 20 0 JJADRN COc1cccc2c1CC[C@H]2NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001457743161 1066909075 /nfs/dbraw/zinc/90/90/75/1066909075.db2.gz FPIZTHVGYPBWJG-LJQANCHMSA-N 0 0 457.324 4.750 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2Cc2sc(C)nc2C)n1 ZINC001492735835 1066909458 /nfs/dbraw/zinc/90/94/58/1066909458.db2.gz LKFQICFTDYNJAJ-UHFFFAOYSA-N 0 0 489.571 4.917 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1 ZINC001457744205 1066909452 /nfs/dbraw/zinc/90/94/52/1066909452.db2.gz AXKSVHNOPAIAJV-UHFFFAOYSA-N 0 0 456.333 4.565 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001448203201 1066909709 /nfs/dbraw/zinc/90/97/09/1066909709.db2.gz XIMCPMWECZFILW-CQSZACIVSA-N 0 0 454.486 4.742 20 0 JJADRN Cc1nn(CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c(C)c1Cl ZINC001457748518 1066910209 /nfs/dbraw/zinc/91/02/09/1066910209.db2.gz LFIBHFGYKMRBFP-HXUWFJFHSA-N 0 0 450.739 4.961 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492736082 1066910220 /nfs/dbraw/zinc/91/02/20/1066910220.db2.gz UDGMGULMQSZPKG-UHFFFAOYSA-N 0 0 495.578 4.675 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2Cc2ccc(OC(C)C)nc2)n1 ZINC001492736056 1066910281 /nfs/dbraw/zinc/91/02/81/1066910281.db2.gz SMGPFSGXESYWSH-UHFFFAOYSA-N 0 0 498.006 4.799 20 0 JJADRN CCn1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)c(=O)c2cc(Cl)ccc21 ZINC001457747557 1066910376 /nfs/dbraw/zinc/91/03/76/1066910376.db2.gz YZVQIACDMODSQB-UHFFFAOYSA-N 0 0 459.955 4.828 20 0 JJADRN COc1cccc(CN(C)C(=O)Cc2ccccc2NC(C)=O)c1OCc1ccccc1F ZINC001448223864 1066910628 /nfs/dbraw/zinc/91/06/28/1066910628.db2.gz DQUNLFYKPCOECZ-UHFFFAOYSA-N 0 0 450.510 4.573 20 0 JJADRN CCC1(CC)Oc2ccc(NC(=O)CN(C)C(=O)c3ccc(Br)s3)cc2O1 ZINC001457751388 1066911027 /nfs/dbraw/zinc/91/10/27/1066911027.db2.gz CJKJWJQJKFLJNQ-UHFFFAOYSA-N 0 0 453.358 4.509 20 0 JJADRN Cc1cc(C(=O)Nc2cc(F)ccc2OC(F)F)cc(C)c1OCC(=O)N1CCCCC1 ZINC001457751545 1066911058 /nfs/dbraw/zinc/91/10/58/1066911058.db2.gz XSNUWUQJTHVFGO-UHFFFAOYSA-N 0 0 450.457 4.688 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@H]2CCCO[C@H]2C(C)C)n1 ZINC001492736297 1066911181 /nfs/dbraw/zinc/91/11/81/1066911181.db2.gz BJSROCATSVHVRD-NOZRDPDXSA-N 0 0 450.631 4.536 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546003804 1066911131 /nfs/dbraw/zinc/91/11/31/1066911131.db2.gz QMEXRRNNOBOYSR-JFIYKMOQSA-N 0 0 465.689 4.564 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546003849 1066911246 /nfs/dbraw/zinc/91/12/46/1066911246.db2.gz RFSQBZSPMLRMLY-NHCUHLMSSA-N 0 0 496.656 4.659 20 0 JJADRN CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)cc(Cl)n1 ZINC001448227044 1066911395 /nfs/dbraw/zinc/91/13/95/1066911395.db2.gz GEFRCYBMYNXLCN-LJQANCHMSA-N 0 0 459.974 4.740 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(I)ccc2Cl)c(Br)n1 ZINC001457752131 1066911464 /nfs/dbraw/zinc/91/14/64/1066911464.db2.gz FVHBQPFHTCECDD-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(OC)cc1 ZINC001457752635 1066911542 /nfs/dbraw/zinc/91/15/42/1066911542.db2.gz BXAVEQJQJGPVAM-RRPUWOKSSA-N 0 0 456.970 4.678 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N(C)Cc3cc(Cl)cn3C)cc2Br)no1 ZINC001457752365 1066911594 /nfs/dbraw/zinc/91/15/94/1066911594.db2.gz YJUOOEMRQZEZCA-UHFFFAOYSA-N 0 0 452.736 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2CCc2ccc(OC(F)(F)F)cc2)n1 ZINC001492736649 1066911610 /nfs/dbraw/zinc/91/16/10/1066911610.db2.gz NRFCUYRIXVRBQW-UHFFFAOYSA-N 0 0 490.555 4.979 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492736566 1066911723 /nfs/dbraw/zinc/91/17/23/1066911723.db2.gz KKQRCNDYOPDHEO-VWLOTQADSA-N 0 0 457.626 4.919 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546003912 1066912161 /nfs/dbraw/zinc/91/21/61/1066912161.db2.gz SCXHULODGZSAAD-GMAHTHKFSA-N 0 0 482.673 4.639 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546003913 1066912341 /nfs/dbraw/zinc/91/23/41/1066912341.db2.gz SCXHULODGZSAAD-JTHBVZDNSA-N 0 0 482.673 4.639 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3sc(C)cc3OCc3ccccc3)C2)cc1F ZINC001448233511 1066912723 /nfs/dbraw/zinc/91/27/23/1066912723.db2.gz BINHAPVPFMHUAB-SFHVURJKSA-N 0 0 454.523 4.706 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3c(F)ccc(SCC4CC4)c3F)C2)cc1F ZINC001448236475 1066913088 /nfs/dbraw/zinc/91/30/88/1066913088.db2.gz IAMAUYJGPPMBRA-AWEZNQCLSA-N 0 0 450.482 4.538 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546003970 1066913140 /nfs/dbraw/zinc/91/31/40/1066913140.db2.gz UEJQLMGRELDGNX-RZQQEMMASA-N 0 0 475.659 4.961 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001546003968 1066913195 /nfs/dbraw/zinc/91/31/95/1066913195.db2.gz UEJQLMGRELDGNX-GQIGUUNPSA-N 0 0 475.659 4.961 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001457759069 1066913117 /nfs/dbraw/zinc/91/31/17/1066913117.db2.gz HLRQDDCCJFWEKO-UHFFFAOYSA-N 0 0 451.910 4.688 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)n1 ZINC001492738260 1066913305 /nfs/dbraw/zinc/91/33/05/1066913305.db2.gz RWRDULPTFBEIOD-UHFFFAOYSA-N 0 0 491.562 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c2ccccc21 ZINC001448237113 1066913517 /nfs/dbraw/zinc/91/35/17/1066913517.db2.gz UTJNBLDGBDEMBL-MDNUFGMLSA-N 0 0 452.551 4.846 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(C)C)cc12 ZINC001448236969 1066913552 /nfs/dbraw/zinc/91/35/52/1066913552.db2.gz ADDFTYGIIGCOQJ-KKSFZXQISA-N 0 0 454.640 4.873 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-n2cc(Br)cn2)cc1 ZINC001448237174 1066913568 /nfs/dbraw/zinc/91/35/68/1066913568.db2.gz UYTBDJDFIKATIG-NHCUHLMSSA-N 0 0 456.340 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492738793 1066913672 /nfs/dbraw/zinc/91/36/72/1066913672.db2.gz KDSYOWDFADLGID-UHFFFAOYSA-N 0 0 452.500 4.828 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC(C)(C)C1)Oc1ccccc1F ZINC001546003994 1066913986 /nfs/dbraw/zinc/91/39/86/1066913986.db2.gz UQGPYLTXXKKKFY-HKUYNNGSSA-N 0 0 458.603 4.931 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)Cc3sc(SC4CCCC4)nc3C)C2)cc1C ZINC001448237853 1066914012 /nfs/dbraw/zinc/91/40/12/1066914012.db2.gz LFYFIULQCNRRJK-QGZVFWFLSA-N 0 0 459.637 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2Cc2c(F)cccc2OC(F)F)n1 ZINC001492739074 1066914074 /nfs/dbraw/zinc/91/40/74/1066914074.db2.gz UESAHAFYTPGSHN-UHFFFAOYSA-N 0 0 490.555 4.669 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492739138 1066914113 /nfs/dbraw/zinc/91/41/13/1066914113.db2.gz XDJFCCSMBFNOSN-REWPJTCUSA-N 0 0 470.687 4.721 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1Cc2cccc(Br)c2C1 ZINC001457768026 1066914301 /nfs/dbraw/zinc/91/43/01/1066914301.db2.gz FWQTXMIUCVGYAR-GFCCVEGCSA-N 0 0 451.158 4.963 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001457767707 1066914431 /nfs/dbraw/zinc/91/44/31/1066914431.db2.gz UPDCELSKHDPNMH-OAQYLSRUSA-N 0 0 458.986 4.769 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCO[C@@H](CC)C1 ZINC001448242285 1066914481 /nfs/dbraw/zinc/91/44/81/1066914481.db2.gz GVBAUGXAVJIHJK-PMACEKPBSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)c(Br)c1 ZINC001448241805 1066914567 /nfs/dbraw/zinc/91/45/67/1066914567.db2.gz GVALLGMIJLBGHE-UHFFFAOYSA-N 0 0 453.340 4.922 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)C2)cc1 ZINC001448246648 1066914944 /nfs/dbraw/zinc/91/49/44/1066914944.db2.gz XKLFKXRISAJIQT-HXUWFJFHSA-N 0 0 451.548 4.529 20 0 JJADRN C[C@H]1CC(CCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C[C@H](C)O1 ZINC001448245511 1066914966 /nfs/dbraw/zinc/91/49/66/1066914966.db2.gz JGIHGXDXNNVOTA-HOTGVXAUSA-N 0 0 451.633 4.581 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 ZINC001457771114 1066915207 /nfs/dbraw/zinc/91/52/07/1066915207.db2.gz BEUBSHFHVLFUAH-FXAWDEMLSA-N 0 0 455.769 4.894 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001492740174 1066915282 /nfs/dbraw/zinc/91/52/82/1066915282.db2.gz KKODFUYYMHRTTP-QHCPKHFHSA-N 0 0 472.081 4.967 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCc2csc(C)n2)n1 ZINC001492740234 1066915395 /nfs/dbraw/zinc/91/53/95/1066915395.db2.gz NEGKGSIMAHORIW-UHFFFAOYSA-N 0 0 467.618 4.701 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)COc1ccc(Cl)c(CC)c1 ZINC001457772473 1066915590 /nfs/dbraw/zinc/91/55/90/1066915590.db2.gz GCYGPLJFYGQMBO-IBGZPJMESA-N 0 0 458.769 4.879 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001457772067 1066915687 /nfs/dbraw/zinc/91/56/87/1066915687.db2.gz KGJNLBWJAIOCMB-UHFFFAOYSA-N 0 0 455.480 4.892 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CCC(c4cccc(Cl)c4)CC3)cc2CN1C(=O)OC(C)(C)C ZINC001448275215 1066915614 /nfs/dbraw/zinc/91/56/14/1066915614.db2.gz GJUYSVCFWTYSFF-MRXNPFEDSA-N 0 0 458.990 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCN[C@H](c4ccccc4Cl)C3)ccc21 ZINC001448279158 1066915763 /nfs/dbraw/zinc/91/57/63/1066915763.db2.gz JROKUOVMFZINKE-NRFANRHFSA-N 0 0 455.986 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCSCc2ccccc2F)n1 ZINC001492740681 1066915787 /nfs/dbraw/zinc/91/57/87/1066915787.db2.gz DPCOEEDXIIFPKQ-UHFFFAOYSA-N 0 0 486.661 4.606 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492740517 1066915830 /nfs/dbraw/zinc/91/58/30/1066915830.db2.gz YJLJADWBYUKBOS-PXNSSMCTSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2Cc2sc(C)nc2C)n1 ZINC001492740858 1066916235 /nfs/dbraw/zinc/91/62/35/1066916235.db2.gz LFBOHAABJKZKHF-UHFFFAOYSA-N 0 0 455.657 4.738 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001457774984 1066916367 /nfs/dbraw/zinc/91/63/67/1066916367.db2.gz OAAMVUBHWGQTMP-RUCARUNLSA-N 0 0 459.443 4.892 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCSC2(C)C)n1 ZINC001492741080 1066916525 /nfs/dbraw/zinc/91/65/25/1066916525.db2.gz RSAFTKAFBNWBKV-GOSISDBHSA-N 0 0 470.609 4.840 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCc2cc(C(F)(F)F)ccn2)n1 ZINC001492741160 1066916664 /nfs/dbraw/zinc/91/66/64/1066916664.db2.gz UNKCUMMZZIEWMM-UHFFFAOYSA-N 0 0 487.530 4.804 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457774092 1066916650 /nfs/dbraw/zinc/91/66/50/1066916650.db2.gz MPRBGJYSTADQQO-QGZVFWFLSA-N 0 0 455.769 4.837 20 0 JJADRN C[S@](=O)c1cccc(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1 ZINC001457775768 1066917098 /nfs/dbraw/zinc/91/70/98/1066917098.db2.gz GMRRPRHVFAPTSH-HKBQPEDESA-N 0 0 456.486 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)[C@H](c2cccnc2)C1 ZINC001457776662 1066917278 /nfs/dbraw/zinc/91/72/78/1066917278.db2.gz MFEQHNKVYAERFI-NRFANRHFSA-N 0 0 452.942 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457776815 1066917307 /nfs/dbraw/zinc/91/73/07/1066917307.db2.gz XWQWLRFUIKWUMZ-YGHRGLEHSA-N 0 0 455.382 4.763 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCO[C@H](C)c2ccccc2)n1 ZINC001492742075 1066917388 /nfs/dbraw/zinc/91/73/88/1066917388.db2.gz LGKRLTOWAFIOHK-TXTKFYIRSA-N 0 0 450.631 4.790 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001448342418 1066918075 /nfs/dbraw/zinc/91/80/75/1066918075.db2.gz GVTYFNJWNJMVGT-UHFFFAOYSA-N 0 0 453.804 4.695 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)c2cc(Br)nc(Br)c2)n1 ZINC001457780362 1066918355 /nfs/dbraw/zinc/91/83/55/1066918355.db2.gz FNQCPUCXNITQCI-LLVKDONJSA-N 0 0 450.134 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(F)c2N)[C@@H](c2cccc(F)c2)C1 ZINC001448349185 1066918638 /nfs/dbraw/zinc/91/86/38/1066918638.db2.gz HIHYUGHNWOFUFF-QGZVFWFLSA-N 0 0 451.901 4.635 20 0 JJADRN COCc1ncc(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)s1 ZINC001457783464 1066918854 /nfs/dbraw/zinc/91/88/54/1066918854.db2.gz HBOVSCSVCSXNOW-SNVBAGLBSA-N 0 0 452.399 4.975 20 0 JJADRN CC(C)(C)OC(=O)CCCCC(=O)Nc1cc(O)c(Br)cc1Br ZINC001457783460 1066918916 /nfs/dbraw/zinc/91/89/16/1066918916.db2.gz DBHNRPDCTUTLIC-UHFFFAOYSA-N 0 0 451.155 4.758 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001492743138 1066918938 /nfs/dbraw/zinc/91/89/38/1066918938.db2.gz MXJXSZZUUQZRIS-SFHVURJKSA-N 0 0 475.012 4.884 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2F)n1 ZINC001492743172 1066918983 /nfs/dbraw/zinc/91/89/83/1066918983.db2.gz NFLFJOGONCLVJZ-UXHICEINSA-N 0 0 454.594 4.619 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cnn(CCC(C)C)c1CC ZINC001457782166 1066919028 /nfs/dbraw/zinc/91/90/28/1066919028.db2.gz KEJGDBWCYBTLDQ-IBGZPJMESA-N 0 0 454.398 4.703 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC001457786345 1066919232 /nfs/dbraw/zinc/91/92/32/1066919232.db2.gz ILZUAQORIUAZPV-VLIAUNLRSA-N 0 0 456.395 4.537 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC001457784155 1066919260 /nfs/dbraw/zinc/91/92/60/1066919260.db2.gz POKSHBXCVNXFTF-UHFFFAOYSA-N 0 0 453.757 4.712 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC001448357462 1066919507 /nfs/dbraw/zinc/91/95/07/1066919507.db2.gz SNZOIKCCHITCIB-SFHVURJKSA-N 0 0 457.880 4.744 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1oc2ccc(OC)cc2c1C ZINC001457786417 1066919506 /nfs/dbraw/zinc/91/95/06/1066919506.db2.gz ZVKYUVMBPMTMEF-GOSISDBHSA-N 0 0 450.318 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)[C@H](c2cccc(F)c2)C1 ZINC001448360916 1066919816 /nfs/dbraw/zinc/91/98/16/1066919816.db2.gz YDIQRDGCDRZIDJ-NRFANRHFSA-N 0 0 451.498 4.514 20 0 JJADRN CCOC(=O)C1(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)CCC1 ZINC001457786990 1066919884 /nfs/dbraw/zinc/91/98/84/1066919884.db2.gz JRQVIADSIULDPP-ZDUSSCGKSA-N 0 0 451.386 4.792 20 0 JJADRN Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(O)c(Br)cc1Br ZINC001457786722 1066919892 /nfs/dbraw/zinc/91/98/92/1066919892.db2.gz LREYGJUNSTYVKW-UHFFFAOYSA-N 0 0 453.090 4.528 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)c2cccs2)n1 ZINC001492744401 1066920096 /nfs/dbraw/zinc/92/00/96/1066920096.db2.gz NSWQGCBUMFUDOS-UHFFFAOYSA-N 0 0 466.577 4.958 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2Cc2ccccc2C)n1 ZINC001492744400 1066920193 /nfs/dbraw/zinc/92/01/93/1066920193.db2.gz NSVPEQRFAUDNOH-UHFFFAOYSA-N 0 0 486.464 4.818 20 0 JJADRN COC(=O)CCc1csc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)n1 ZINC001457789177 1066920732 /nfs/dbraw/zinc/92/07/32/1066920732.db2.gz QIJAUHRYQMXGIV-UHFFFAOYSA-N 0 0 453.545 4.935 20 0 JJADRN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1NC1CCCCC1 ZINC001448381880 1066921094 /nfs/dbraw/zinc/92/10/94/1066921094.db2.gz MSKINNKBMWZDNN-UHFFFAOYSA-N 0 0 459.388 4.678 20 0 JJADRN CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)[nH]1 ZINC001457790569 1066921249 /nfs/dbraw/zinc/92/12/49/1066921249.db2.gz WSITVQCTKMRCNK-GDZNZVCISA-N 0 0 454.402 4.647 20 0 JJADRN COCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1Cl ZINC001448380772 1066921224 /nfs/dbraw/zinc/92/12/24/1066921224.db2.gz BWJGYCODTWVNEN-NZCCEVMUSA-N 0 0 450.966 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(O[C@@H]4CCCC[C@@H]4O)cc3)CCCC[C@H]12 ZINC001448382408 1066921238 /nfs/dbraw/zinc/92/12/38/1066921238.db2.gz YYSFJOWDATVPQU-IMIIHFCZSA-N 0 0 458.599 4.877 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCO[C@H]2CCCC[C@@H]2C)n1 ZINC001492745396 1066921468 /nfs/dbraw/zinc/92/14/68/1066921468.db2.gz MWTLFCPCMMAZNG-UWJYYQICSA-N 0 0 482.595 4.904 20 0 JJADRN O=C(NCCc1cccc2[nH]ccc21)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001448384739 1066921672 /nfs/dbraw/zinc/92/16/72/1066921672.db2.gz SGXJTRBIJZQUTL-UHFFFAOYSA-N 0 0 450.276 4.663 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCCC2CCCC2)n1 ZINC001492746389 1066921713 /nfs/dbraw/zinc/92/17/13/1066921713.db2.gz QVWOBXUBIIXUAS-HSZRJFAPSA-N 0 0 499.704 4.803 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)cs1 ZINC001457791324 1066922224 /nfs/dbraw/zinc/92/22/24/1066922224.db2.gz TZOGJYCZKSARNR-UHFFFAOYSA-N 0 0 455.490 4.740 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2cccc(Cl)c2)n1 ZINC001492746726 1066922177 /nfs/dbraw/zinc/92/21/77/1066922177.db2.gz ZGSCMMVERIGOTH-UHFFFAOYSA-N 0 0 451.789 4.741 20 0 JJADRN O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001457791757 1066922345 /nfs/dbraw/zinc/92/23/45/1066922345.db2.gz PWSQLPDZVOYGKK-NRFANRHFSA-N 0 0 450.362 4.976 20 0 JJADRN Cc1nc2ccc(C(=O)N[C@H](CO)c3ccc(Br)cc3C(F)(F)F)cc2s1 ZINC001448389485 1066922461 /nfs/dbraw/zinc/92/24/61/1066922461.db2.gz KZYMCCHHBTUVJV-OAHLLOKOSA-N 0 0 459.287 4.849 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001448389585 1066922546 /nfs/dbraw/zinc/92/25/46/1066922546.db2.gz AQJBCWVJALBCNC-GOSISDBHSA-N 0 0 458.578 4.731 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492747982 1066922553 /nfs/dbraw/zinc/92/25/53/1066922553.db2.gz TVFRHXURQCPSMP-HNNXBMFYSA-N 0 0 475.460 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492747983 1066922612 /nfs/dbraw/zinc/92/26/12/1066922612.db2.gz TVFRHXURQCPSMP-OAHLLOKOSA-N 0 0 475.460 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2Cc2ccccc2OCC(C)C)n1 ZINC001492747565 1066922619 /nfs/dbraw/zinc/92/26/19/1066922619.db2.gz FJBYOLGRZGFIJL-UHFFFAOYSA-N 0 0 499.457 4.712 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001448397738 1066922859 /nfs/dbraw/zinc/92/28/59/1066922859.db2.gz SWMSAMZPLBJSGH-QAPCUYQASA-N 0 0 455.462 4.585 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001448397724 1066922884 /nfs/dbraw/zinc/92/28/84/1066922884.db2.gz SWMSAMZPLBJSGH-CRAIPNDOSA-N 0 0 455.462 4.585 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)Oc1ccccc1F ZINC001546005493 1066922911 /nfs/dbraw/zinc/92/29/11/1066922911.db2.gz CYLUNUJJZCBBTR-JOCHJYFZSA-N 0 0 485.648 4.702 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001448397745 1066922927 /nfs/dbraw/zinc/92/29/27/1066922927.db2.gz SWMSAMZPLBJSGH-YJBOKZPZSA-N 0 0 455.462 4.585 20 0 JJADRN C[C@](NC(=O)c1cc2ccccc2cc1OC(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457797509 1066922982 /nfs/dbraw/zinc/92/29/82/1066922982.db2.gz APEIBVHWNDURFE-OAQYLSRUSA-N 0 0 452.379 4.591 20 0 JJADRN Cc1cc(C(F)F)oc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC001457799666 1066922996 /nfs/dbraw/zinc/92/29/96/1066922996.db2.gz ZZFXCVREAIYPKU-UHFFFAOYSA-N 0 0 452.523 4.827 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4cc(OCC(C)(C)C)ccc4C3)n2C[C@](C)(O)C(C)C)n1 ZINC001492748099 1066923081 /nfs/dbraw/zinc/92/30/81/1066923081.db2.gz WRWWDUSVCFAPFX-NDEPHWFRSA-N 0 0 494.684 4.534 20 0 JJADRN O=C([C@H](c1ccccc1)N1CCSCC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448401150 1066923249 /nfs/dbraw/zinc/92/32/49/1066923249.db2.gz VYTIPSCDJXLQHB-QFIPXVFZSA-N 0 0 459.453 4.945 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3cccnc3)cs2)o1 ZINC001448402323 1066923289 /nfs/dbraw/zinc/92/32/89/1066923289.db2.gz JDLYUHRNYFLBEA-GOSISDBHSA-N 0 0 454.552 4.541 20 0 JJADRN O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448401138 1066923305 /nfs/dbraw/zinc/92/33/05/1066923305.db2.gz VYTIPSCDJXLQHB-JOCHJYFZSA-N 0 0 459.453 4.945 20 0 JJADRN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001457800508 1066923231 /nfs/dbraw/zinc/92/32/31/1066923231.db2.gz CLBWYZXWFAQGHE-CVEARBPZSA-N 0 0 458.493 4.535 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001492749012 1066923490 /nfs/dbraw/zinc/92/34/90/1066923490.db2.gz SHGGLLMLPLUEAM-YWZLYKJASA-N 0 0 475.410 4.849 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)c1ccc(Br)[nH]c1=O ZINC001457801845 1066923574 /nfs/dbraw/zinc/92/35/74/1066923574.db2.gz CYALWQLBRVVCJB-UHFFFAOYSA-N 0 0 457.509 4.766 20 0 JJADRN C[C@H](O)[C@](C)(CNC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)Cc1ccccc1 ZINC001457801704 1066923602 /nfs/dbraw/zinc/92/36/02/1066923602.db2.gz IIMADTLURQDDCG-VKGTZQKMSA-N 0 0 456.542 4.680 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)CC2)c1 ZINC001448403875 1066923705 /nfs/dbraw/zinc/92/37/05/1066923705.db2.gz AZLYITHVAVXHNB-UHFFFAOYSA-N 0 0 457.933 4.952 20 0 JJADRN Cc1ccc2c(CC(=O)N[C@H](CO)c3ccc(Br)cc3C(F)(F)F)c[nH]c2c1 ZINC001448403791 1066923829 /nfs/dbraw/zinc/92/38/29/1066923829.db2.gz ZTCYDENFIFQBHO-GOSISDBHSA-N 0 0 455.274 4.650 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492749106 1066923956 /nfs/dbraw/zinc/92/39/56/1066923956.db2.gz UFYMMECDGQFYBA-QGZVFWFLSA-N 0 0 477.629 4.618 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@H](C)S1(=O)=O ZINC001457804041 1066924129 /nfs/dbraw/zinc/92/41/29/1066924129.db2.gz HQPJKXNSGJRMOZ-YOEHRIQHSA-N 0 0 454.564 4.783 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]1CSC)NC(=O)OC(C)(C)C ZINC001546005617 1066924119 /nfs/dbraw/zinc/92/41/19/1066924119.db2.gz GBHOVZGBBSLCTQ-RTWAWAEBSA-N 0 0 473.687 4.698 20 0 JJADRN CNS(=O)(=O)c1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)c(C)o1 ZINC001448404243 1066924178 /nfs/dbraw/zinc/92/41/78/1066924178.db2.gz CNEDNUFZCSRMHX-IBGZPJMESA-N 0 0 458.502 4.566 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2ccc(F)c(Cl)c2)n1 ZINC001492749229 1066924171 /nfs/dbraw/zinc/92/41/71/1066924171.db2.gz WTTCUMOQDIRJTR-INIZCTEOSA-N 0 0 470.902 4.759 20 0 JJADRN CC1N=NC(=S)N1c1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001457805754 1066924175 /nfs/dbraw/zinc/92/41/75/1066924175.db2.gz KEZXBAMSBHTCGQ-UHFFFAOYSA-N 0 0 454.943 4.529 20 0 JJADRN CC/C(=C\C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)c1ccc(OC)cc1 ZINC001448408073 1066924471 /nfs/dbraw/zinc/92/44/71/1066924471.db2.gz UMRAPJNAORNFNG-BBIZSYTBSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2Cc2c(F)cccc2OC(F)F)n1 ZINC001492750026 1066925062 /nfs/dbraw/zinc/92/50/62/1066925062.db2.gz OJRKEURUHMZOMO-IBGZPJMESA-N 0 0 462.520 4.553 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC(C)(C)c2cccs2)n1 ZINC001492750043 1066925117 /nfs/dbraw/zinc/92/51/17/1066925117.db2.gz OQDDSIXIQIENES-FQEVSTJZSA-N 0 0 470.687 4.963 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492750102 1066925129 /nfs/dbraw/zinc/92/51/29/1066925129.db2.gz PVVPJVBQOIHWNU-WIYYLYMNSA-N 0 0 470.687 4.864 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2CCCC(F)(F)F)n1 ZINC001492750244 1066925153 /nfs/dbraw/zinc/92/51/53/1066925153.db2.gz UANIYFODWRQGGX-FQEVSTJZSA-N 0 0 461.536 4.563 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC001457808228 1066925369 /nfs/dbraw/zinc/92/53/69/1066925369.db2.gz VCVKQODUXUYKPC-FOWTUZBSSA-N 0 0 451.832 4.902 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC(C)(C)C2CC2)n1 ZINC001492750273 1066925402 /nfs/dbraw/zinc/92/54/02/1066925402.db2.gz UIZHWSHEUPPSKM-NRFANRHFSA-N 0 0 499.704 4.707 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)C1 ZINC001448409871 1066925576 /nfs/dbraw/zinc/92/55/76/1066925576.db2.gz ZZAPLCFWWWARQJ-QGZVFWFLSA-N 0 0 452.636 4.534 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC3(C)C)n2Cc2cc(Cl)ccc2OC(F)F)n1 ZINC001492750461 1066925465 /nfs/dbraw/zinc/92/54/65/1066925465.db2.gz YTTFRLAPLYGMKP-UHFFFAOYSA-N 0 0 464.948 4.822 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC001546005903 1066925914 /nfs/dbraw/zinc/92/59/14/1066925914.db2.gz LOQAGKAUUKIFBU-JOCHJYFZSA-N 0 0 451.659 4.899 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001457810628 1066925862 /nfs/dbraw/zinc/92/58/62/1066925862.db2.gz QGTOKHXDFAPCGC-XUFNMVPLSA-N 0 0 456.380 4.689 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001448430344 1066926318 /nfs/dbraw/zinc/92/63/18/1066926318.db2.gz OVGOPOAPZGJYNO-GOSISDBHSA-N 0 0 458.267 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001448425611 1066926346 /nfs/dbraw/zinc/92/63/46/1066926346.db2.gz BOONCBYHAWVBMQ-MBSDFSHPSA-N 0 0 463.416 4.802 20 0 JJADRN CC[C@H](CNc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001457811748 1066926340 /nfs/dbraw/zinc/92/63/40/1066926340.db2.gz CVYDKZPHTLOYBX-WOJBJXKFSA-N 0 0 457.574 4.921 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001546005941 1066926435 /nfs/dbraw/zinc/92/64/35/1066926435.db2.gz MCVMSFNJTKRMLB-GOSISDBHSA-N 0 0 463.445 4.949 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC001457814191 1066926592 /nfs/dbraw/zinc/92/65/92/1066926592.db2.gz OZPHVRCYQQAMTG-IBGZPJMESA-N 0 0 456.583 4.850 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457813493 1066926755 /nfs/dbraw/zinc/92/67/55/1066926755.db2.gz FOSNYMIZZAMTLQ-UWJYYQICSA-N 0 0 459.384 4.688 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001448430348 1066926732 /nfs/dbraw/zinc/92/67/32/1066926732.db2.gz OVGOPOAPZGJYNO-SFHVURJKSA-N 0 0 458.267 4.720 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001448435738 1066927242 /nfs/dbraw/zinc/92/72/42/1066927242.db2.gz JGAOUDVIYUBGQG-ITZXPMNXSA-N 0 0 452.422 4.876 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC001457817771 1066927608 /nfs/dbraw/zinc/92/76/08/1066927608.db2.gz PEFDNLBJJUGXOT-HXUWFJFHSA-N 0 0 454.502 4.564 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492756247 1066927516 /nfs/dbraw/zinc/92/75/16/1066927516.db2.gz VRATWTWFLDACNI-GOSISDBHSA-N 0 0 473.716 4.520 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)n2CCC(C)(F)F)n1 ZINC001492755453 1066927683 /nfs/dbraw/zinc/92/76/83/1066927683.db2.gz ZUOPMOHQCOIXOD-LJQANCHMSA-N 0 0 482.938 4.555 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)c1cccc(F)c1 ZINC001448442816 1066927960 /nfs/dbraw/zinc/92/79/60/1066927960.db2.gz CMVOPAXQBWDJCG-VOQZNFBZSA-N 0 0 454.542 4.554 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546006054 1066927994 /nfs/dbraw/zinc/92/79/94/1066927994.db2.gz OCWLOFVBFYSEFJ-UXHICEINSA-N 0 0 457.619 4.901 20 0 JJADRN Nc1c(Cl)ccc(C(=O)NCc2ccc(I)c(Cl)c2)c1Cl ZINC001448444355 1066928046 /nfs/dbraw/zinc/92/80/46/1066928046.db2.gz UGVOQJHTFSQSRR-UHFFFAOYSA-N 0 0 455.510 4.764 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)OC ZINC001546006044 1066928128 /nfs/dbraw/zinc/92/81/28/1066928128.db2.gz OAGARBDOUIHEBC-TZIWHRDSSA-N 0 0 464.557 4.615 20 0 JJADRN Cc1cccc(F)c1-n1nc(C(=O)N[C@H](C)Cc2ccccc2Br)c2c1CCC2 ZINC001457822042 1066928500 /nfs/dbraw/zinc/92/85/00/1066928500.db2.gz ZMJBTLAVWSNQSK-OAHLLOKOSA-N 0 0 456.359 4.932 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(I)c(Cl)c3)c2)cs1 ZINC001448446584 1066928493 /nfs/dbraw/zinc/92/84/93/1066928493.db2.gz ZTXHPKYBUXWTJI-UHFFFAOYSA-N 0 0 457.724 4.635 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492757182 1066928381 /nfs/dbraw/zinc/92/83/81/1066928381.db2.gz BWHAWUJDISYKHC-LJQANCHMSA-N 0 0 471.053 4.801 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2ccccc2Br)n1 ZINC001492757061 1066928402 /nfs/dbraw/zinc/92/84/02/1066928402.db2.gz UCMSGAHWNAODKC-CXAGYDPISA-N 0 0 497.363 4.585 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccccc3Cl)N(C)C)C2)n1 ZINC001492757497 1066928785 /nfs/dbraw/zinc/92/87/85/1066928785.db2.gz ZHIGXARUSCTYDF-OFNKIYASSA-N 0 0 499.107 4.657 20 0 JJADRN CC[C@@H](CNc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457825903 1066928797 /nfs/dbraw/zinc/92/87/97/1066928797.db2.gz QRERXBPJRYEVSE-NRFANRHFSA-N 0 0 451.592 4.725 20 0 JJADRN Cc1ccc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c(OC[C@@H]2CCCO2)c1 ZINC001457826877 1066928822 /nfs/dbraw/zinc/92/88/22/1066928822.db2.gz ZHJXYGHUHXMFFU-JEYPMZLKSA-N 0 0 472.626 4.739 20 0 JJADRN COC[C@H](CNC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001457825720 1066928977 /nfs/dbraw/zinc/92/89/77/1066928977.db2.gz VUKCNRLLXMYNEM-YOEHRIQHSA-N 0 0 452.776 4.858 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)CCN2)cc1 ZINC001448449093 1066928950 /nfs/dbraw/zinc/92/89/50/1066928950.db2.gz JQDMCMOORFRQOX-OAQYLSRUSA-N 0 0 451.567 4.797 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccccc3Cl)N(C)C)C2)n1 ZINC001492757493 1066928904 /nfs/dbraw/zinc/92/89/04/1066928904.db2.gz ZHIGXARUSCTYDF-NFBKMPQASA-N 0 0 499.107 4.657 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546006149 1066929333 /nfs/dbraw/zinc/92/93/33/1066929333.db2.gz QANMWXVOYGDSBQ-FCHUYYIVSA-N 0 0 475.678 4.567 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)c2cccnc12 ZINC001457829080 1066929442 /nfs/dbraw/zinc/92/94/42/1066929442.db2.gz ADOJOTNZHZPVNL-UHFFFAOYSA-N 0 0 458.518 4.656 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3CC(C)(C)C(C)C)C2)n1 ZINC001492758068 1066929647 /nfs/dbraw/zinc/92/96/47/1066929647.db2.gz UNXDRGSDBBYRIV-HSZRJFAPSA-N 0 0 463.674 4.984 20 0 JJADRN CCN(C(=O)CCc1c(C)nc2ncnn2c1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457830410 1066929838 /nfs/dbraw/zinc/92/98/38/1066929838.db2.gz ZLTROVGHJYOHCI-IBGZPJMESA-N 0 0 457.578 4.959 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001457831294 1066930202 /nfs/dbraw/zinc/93/02/02/1066930202.db2.gz JJYALYVIEILKFE-UHFFFAOYSA-N 0 0 456.399 4.675 20 0 JJADRN CCOC(=O)[C@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccccc1 ZINC001448461437 1066930212 /nfs/dbraw/zinc/93/02/12/1066930212.db2.gz WBXIAYORMDBAQH-IBGZPJMESA-N 0 0 453.432 4.719 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(COc4ccccc4F)n3CCOC(C)(C)C)CC2)n1 ZINC001492759038 1066930493 /nfs/dbraw/zinc/93/04/93/1066930493.db2.gz UOTYGBGTXFHLOY-UHFFFAOYSA-N 0 0 484.620 4.541 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001546006410 1066930824 /nfs/dbraw/zinc/93/08/24/1066930824.db2.gz UJCVLMORLVRPNR-SFTDATJTSA-N 0 0 473.687 4.698 20 0 JJADRN C[S@](=O)c1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1 ZINC001457834164 1066930728 /nfs/dbraw/zinc/93/07/28/1066930728.db2.gz AFHBCPUXLFFKHK-GTJUCTONSA-N 0 0 458.580 4.803 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCCO)CCO2)n1 ZINC001492759291 1066930793 /nfs/dbraw/zinc/93/07/93/1066930793.db2.gz YJCQBZYKKNGHBZ-VWLOTQADSA-N 0 0 494.684 4.514 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](c3ccccc3)C(F)(F)F)CC2)cc1C ZINC001457839257 1066931124 /nfs/dbraw/zinc/93/11/24/1066931124.db2.gz UNONEMQQJDAOLR-HXUWFJFHSA-N 0 0 455.498 4.551 20 0 JJADRN CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546006520 1066931042 /nfs/dbraw/zinc/93/10/42/1066931042.db2.gz WWEDSWMZIRLLGV-VLHNPEIBSA-N 0 0 483.657 4.610 20 0 JJADRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC001457842629 1066931364 /nfs/dbraw/zinc/93/13/64/1066931364.db2.gz OWBJHJXKEMDHFE-OAHLLOKOSA-N 0 0 453.564 4.506 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006545 1066931613 /nfs/dbraw/zinc/93/16/13/1066931613.db2.gz XHINCZDQHIKRTK-PKTZIBPZSA-N 0 0 483.657 4.892 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOC(F)F)CC2)n1 ZINC001492758960 1066931682 /nfs/dbraw/zinc/93/16/82/1066931682.db2.gz QZXRUOBCCMRBBY-NHCUHLMSSA-N 0 0 494.631 4.556 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC[C@@H]2C)n1 ZINC001492759618 1066931697 /nfs/dbraw/zinc/93/16/97/1066931697.db2.gz IRSLAKSHCMPDJI-SFTDATJTSA-N 0 0 487.048 4.817 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001492760330 1066931918 /nfs/dbraw/zinc/93/19/18/1066931918.db2.gz BBMPZBSCZIZWAI-QHCPKHFHSA-N 0 0 490.656 4.617 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)c1 ZINC001448486705 1066931936 /nfs/dbraw/zinc/93/19/36/1066931936.db2.gz MBRNXEDKTXMTLW-UHFFFAOYSA-N 0 0 456.543 4.525 20 0 JJADRN C[C@](O)(CNC(=O)c1cnc(-c2cccc(Cl)c2)s1)c1ccccc1Br ZINC001448485025 1066931961 /nfs/dbraw/zinc/93/19/61/1066931961.db2.gz CGBRWFMLHMBUPJ-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(OC)cc2F)c1 ZINC001457857165 1066932224 /nfs/dbraw/zinc/93/22/24/1066932224.db2.gz BHKGPRCTEUOTHF-UHFFFAOYSA-N 0 0 454.523 4.504 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2SC)c1 ZINC001457856459 1066932319 /nfs/dbraw/zinc/93/23/19/1066932319.db2.gz AHONVJMZJJCYEA-UHFFFAOYSA-N 0 0 454.617 4.862 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCc1cccc(Br)c1 ZINC001457850758 1066932421 /nfs/dbraw/zinc/93/24/21/1066932421.db2.gz NAQFNGCRXWXBFN-CYBMUJFWSA-N 0 0 453.174 4.779 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cccc(COc4ccc(C)nc4)c3)cc2c(OC)c1 ZINC001457851131 1066932486 /nfs/dbraw/zinc/93/24/86/1066932486.db2.gz BJIAVAVCIMLBBI-UHFFFAOYSA-N 0 0 459.546 4.830 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@H](C)C2)n1 ZINC001492760446 1066932652 /nfs/dbraw/zinc/93/26/52/1066932652.db2.gz GAAQUIPIPNKRNR-AWEZNQCLSA-N 0 0 461.383 4.597 20 0 JJADRN CC1=CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)C1 ZINC001448491690 1066932665 /nfs/dbraw/zinc/93/26/65/1066932665.db2.gz AHVFVJLSXBPFTN-UHFFFAOYSA-N 0 0 458.889 4.952 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3ccc(Br)c(Cl)c3)cc2c(OC)c1 ZINC001457862428 1066932785 /nfs/dbraw/zinc/93/27/85/1066932785.db2.gz RKQQFOGNQJOHTI-UHFFFAOYSA-N 0 0 451.748 4.964 20 0 JJADRN COCCCCN(C)C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457858685 1066932833 /nfs/dbraw/zinc/93/28/33/1066932833.db2.gz FAHHLZNBGPJQHM-UHFFFAOYSA-N 0 0 459.637 4.701 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492760752 1066933047 /nfs/dbraw/zinc/93/30/47/1066933047.db2.gz PUCHBNVNOZQZTG-KRWDZBQOSA-N 0 0 475.460 4.553 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccco2)n1 ZINC001492760617 1066933111 /nfs/dbraw/zinc/93/31/11/1066933111.db2.gz LERIKRDGTMXQHC-UHFFFAOYSA-N 0 0 475.416 4.902 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C)o3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001492760830 1066933418 /nfs/dbraw/zinc/93/34/18/1066933418.db2.gz UAVZOOHZYMUTLW-UHFFFAOYSA-N 0 0 497.644 4.586 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc3nc(OC)sc3c2)nnc1-c1ccc(Cl)cc1 ZINC001448496731 1066933481 /nfs/dbraw/zinc/93/34/81/1066933481.db2.gz KHIAXFHBIWYQAX-UHFFFAOYSA-N 0 0 459.984 4.968 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC001492760852 1066933445 /nfs/dbraw/zinc/93/34/45/1066933445.db2.gz UNZQFBCWBBFRLU-OAQYLSRUSA-N 0 0 490.574 4.914 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC001457873090 1066934205 /nfs/dbraw/zinc/93/42/05/1066934205.db2.gz ZYBZBLLGFNKNEJ-OAQYLSRUSA-N 0 0 456.464 4.805 20 0 JJADRN CCc1cc(C(=O)N2CCc3nccc(Br)c3C2)c2c(CC(C)(C)C)noc2n1 ZINC001457874797 1066934472 /nfs/dbraw/zinc/93/44/72/1066934472.db2.gz KKZYGYAGDQEREC-UHFFFAOYSA-N 0 0 457.372 4.730 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001448506355 1066934579 /nfs/dbraw/zinc/93/45/79/1066934579.db2.gz PWQDBALMXKIRDS-UHFFFAOYSA-N 0 0 454.368 4.599 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1OC(F)(F)F ZINC001457875496 1066934599 /nfs/dbraw/zinc/93/45/99/1066934599.db2.gz PPHKJWVQMSAUMT-LJQANCHMSA-N 0 0 452.473 4.585 20 0 JJADRN CC(C)(C(=O)N1CCc2nccc(Br)c2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001457877147 1066934610 /nfs/dbraw/zinc/93/46/10/1066934610.db2.gz OYJNHFBXJOLZMX-KRWDZBQOSA-N 0 0 458.183 4.795 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C(C)C)C2)n1 ZINC001492761926 1066934728 /nfs/dbraw/zinc/93/47/28/1066934728.db2.gz AIKQIJJXBHQYPP-HSZRJFAPSA-N 0 0 452.672 4.659 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC[C@@H](C)c2ccccc2)cc1 ZINC001448508485 1066935075 /nfs/dbraw/zinc/93/50/75/1066935075.db2.gz LOLZLYBUKYSGKP-GOSISDBHSA-N 0 0 454.617 4.670 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CC[C@H](COCc4ccccc4)C3)nnc2C(C)(C)C)n1 ZINC001492762457 1066935347 /nfs/dbraw/zinc/93/53/47/1066935347.db2.gz RYJPDTQSQRVJMC-QHCPKHFHSA-N 0 0 450.631 4.522 20 0 JJADRN CCC1(CNC(=O)Cc2cc(Br)cc(I)c2)CCCC1 ZINC001457946795 1066945506 /nfs/dbraw/zinc/94/55/06/1066945506.db2.gz IJMPVMHRPMGGFA-UHFFFAOYSA-N 0 0 450.158 4.683 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NC1CCN(c2nccs2)CC1 ZINC001448513100 1066935556 /nfs/dbraw/zinc/93/55/56/1066935556.db2.gz XALHCUQECFWAEA-LJQANCHMSA-N 0 0 458.628 4.520 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)cn2)cc1OC ZINC001448513000 1066935662 /nfs/dbraw/zinc/93/56/62/1066935662.db2.gz WOKQLPRDSKHKEA-IRJFHVNHSA-N 0 0 459.468 4.643 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCCC(C)C)CCO2)o1 ZINC001492763833 1066935847 /nfs/dbraw/zinc/93/58/47/1066935847.db2.gz PDLIFOGUODJZHX-SIKLNZKXSA-N 0 0 468.602 4.740 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCCC(C)C)CCO2)o1 ZINC001492763834 1066935860 /nfs/dbraw/zinc/93/58/60/1066935860.db2.gz PDLIFOGUODJZHX-UGKGYDQZSA-N 0 0 468.602 4.740 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCCC(C)(C)C)CCO2)o1 ZINC001492764768 1066936168 /nfs/dbraw/zinc/93/61/68/1066936168.db2.gz OBBHCICWRMOCFT-OAQYLSRUSA-N 0 0 468.602 4.570 20 0 JJADRN COc1cccc(C(F)F)c1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001457885044 1066936144 /nfs/dbraw/zinc/93/61/44/1066936144.db2.gz NBBIFMLCKHVEEI-SNVBAGLBSA-N 0 0 452.255 4.936 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC001492765362 1066936557 /nfs/dbraw/zinc/93/65/57/1066936557.db2.gz DWBPSIJLNQHMEF-UHFFFAOYSA-N 0 0 493.946 4.840 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)cc3Cl)nnc2N2C[C@@H](C)[C@@H](F)C2)s1 ZINC001492765323 1066936614 /nfs/dbraw/zinc/93/66/14/1066936614.db2.gz CUJXVPRTOQHVIB-BZNIZROVSA-N 0 0 499.841 4.948 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492765451 1066936965 /nfs/dbraw/zinc/93/69/65/1066936965.db2.gz HPOOWFOOYDXDAI-UHFFFAOYSA-N 0 0 473.528 4.788 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC001457888511 1066936871 /nfs/dbraw/zinc/93/68/71/1066936871.db2.gz YDMZOJPFONLBME-ZDUSSCGKSA-N 0 0 451.297 4.825 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC001448536589 1066937113 /nfs/dbraw/zinc/93/71/13/1066937113.db2.gz FIXJAGDUTHGYMH-ZWKOTPCHSA-N 0 0 455.368 4.945 20 0 JJADRN CSCc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)ccc1F ZINC001448537388 1066937139 /nfs/dbraw/zinc/93/71/39/1066937139.db2.gz HARJSBVQDSUZAO-UHFFFAOYSA-N 0 0 455.368 4.548 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001457891513 1066937181 /nfs/dbraw/zinc/93/71/81/1066937181.db2.gz YTPNRTFFALOTKA-UHFFFAOYSA-N 0 0 453.219 4.961 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@@H]2C)s1 ZINC001492765591 1066937279 /nfs/dbraw/zinc/93/72/79/1066937279.db2.gz LKDBLKAHTWTOEE-RYUDHWBXSA-N 0 0 467.462 4.797 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC2CCOCC2)s1 ZINC001492765552 1066937379 /nfs/dbraw/zinc/93/73/79/1066937379.db2.gz KJLAHOHGQDWTLY-UHFFFAOYSA-N 0 0 468.671 4.898 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC001448540864 1066937471 /nfs/dbraw/zinc/93/74/71/1066937471.db2.gz MYDBHXDKAXTGKN-YNZJMPHRSA-N 0 0 456.167 4.547 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)C/C=C\c1ccc(Br)cc1 ZINC001457894086 1066937537 /nfs/dbraw/zinc/93/75/37/1066937537.db2.gz LZNNDODDGWMZOI-LLHWWHOWSA-N 0 0 456.258 4.642 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492765734 1066937764 /nfs/dbraw/zinc/93/77/64/1066937764.db2.gz PRPOIAGLRKRZIC-AWEZNQCLSA-N 0 0 471.940 4.565 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492765760 1066937786 /nfs/dbraw/zinc/93/77/86/1066937786.db2.gz QORSEBNMYSOICU-UHFFFAOYSA-N 0 0 475.544 4.732 20 0 JJADRN CN(CC(=O)OC(C)(C)C)C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC001448541201 1066937921 /nfs/dbraw/zinc/93/79/21/1066937921.db2.gz UEVMNUZAKMEREO-DOOJICMQSA-N 0 0 457.455 4.909 20 0 JJADRN COc1ccccc1N1CC[C@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001457896526 1066937989 /nfs/dbraw/zinc/93/79/89/1066937989.db2.gz UGLZKSGJWVNJFF-SFHVURJKSA-N 0 0 457.452 4.910 20 0 JJADRN O=C(Nc1ccc2c(Br)ccc(Cl)c2n1)c1ccc(Br)[nH]c1=O ZINC001457895032 1066938106 /nfs/dbraw/zinc/93/81/06/1066938106.db2.gz RKELGXOODDCECA-UHFFFAOYSA-N 0 0 457.509 4.766 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccc(Br)c(F)c3)c2N1 ZINC001448544108 1066938359 /nfs/dbraw/zinc/93/83/59/1066938359.db2.gz URVLZSGSZDSRNC-UHNFBRDESA-N 0 0 457.294 4.772 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492766147 1066938410 /nfs/dbraw/zinc/93/84/10/1066938410.db2.gz CNXZDZAEZBITRK-UHFFFAOYSA-N 0 0 464.561 4.749 20 0 JJADRN CC(C)(C(=O)Nc1ncc(Br)cc1I)C1CCCCC1 ZINC001457901445 1066938739 /nfs/dbraw/zinc/93/87/39/1066938739.db2.gz BIBVYAWZMJTSNU-UHFFFAOYSA-N 0 0 451.146 4.994 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(NC(=O)C(F)(F)c2nccs2)cc(C(F)(F)F)c1 ZINC001448554043 1066939284 /nfs/dbraw/zinc/93/92/84/1066939284.db2.gz WNHPQEUQXAQOPO-UHFFFAOYSA-N 0 0 451.417 4.917 20 0 JJADRN CCOC[C@H](C(=O)OC)N(C)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C)cc1)CC2 ZINC001457904277 1066939254 /nfs/dbraw/zinc/93/92/54/1066939254.db2.gz HZCFTXGTQUHXAK-ODSHTMMISA-N 0 0 458.558 4.680 20 0 JJADRN O=C(CCc1nc(-c2ncccn2)no1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001457904856 1066939380 /nfs/dbraw/zinc/93/93/80/1066939380.db2.gz PTCYQRBARAGCGE-UHFFFAOYSA-N 0 0 454.317 4.749 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC001492766744 1066939472 /nfs/dbraw/zinc/93/94/72/1066939472.db2.gz VOPFTXGFONYCEE-IBGZPJMESA-N 0 0 494.587 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001448566003 1066939362 /nfs/dbraw/zinc/93/93/62/1066939362.db2.gz QHLSOEJUUBNGJP-NNWRFLSQSA-N 0 0 453.970 4.929 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2n(n1)CCCC2 ZINC001457907466 1066939750 /nfs/dbraw/zinc/93/97/50/1066939750.db2.gz ULDWTQVKZUATBY-VLIAUNLRSA-N 0 0 451.398 4.548 20 0 JJADRN Cc1nnc(CCCn2c(N(Cc3ccccc3)C[C@@H]3CCCO3)nnc2C(C)(C)C)s1 ZINC001492766975 1066939751 /nfs/dbraw/zinc/93/97/51/1066939751.db2.gz BQOJJMVATSHKOD-FQEVSTJZSA-N 0 0 454.644 4.554 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(OC)c(I)c1 ZINC001457909738 1066940086 /nfs/dbraw/zinc/94/00/86/1066940086.db2.gz FDDXGNMHWMQLTH-CQSZACIVSA-N 0 0 453.320 4.716 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NC(C)(C)c2cccc(Cl)c2F)C1(C)C ZINC001457910295 1066940120 /nfs/dbraw/zinc/94/01/20/1066940120.db2.gz WTRVDYAGPDHBRA-QMHKHESXSA-N 0 0 456.986 4.929 20 0 JJADRN CN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001457909651 1066940205 /nfs/dbraw/zinc/94/02/05/1066940205.db2.gz FVMXNTOXAWWAQM-IBGZPJMESA-N 0 0 455.839 4.720 20 0 JJADRN Cc1nnc(CCCn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)cc2Cl)s1 ZINC001492767174 1066940193 /nfs/dbraw/zinc/94/01/93/1066940193.db2.gz JNCZCSULICHYMM-UHFFFAOYSA-N 0 0 493.822 4.631 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)s1 ZINC001492767328 1066940279 /nfs/dbraw/zinc/94/02/79/1066940279.db2.gz NWJZETQUJUTMIE-UHFFFAOYSA-N 0 0 472.684 4.598 20 0 JJADRN O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001448577860 1066940314 /nfs/dbraw/zinc/94/03/14/1066940314.db2.gz HRNIBKQVGOSPSX-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN Cc1cc(-c2noc([C@H](C)NC(=O)Cc3noc4ccc(Br)cc34)n2)ccc1F ZINC001457912305 1066940509 /nfs/dbraw/zinc/94/05/09/1066940509.db2.gz IBNFBSLSFDNEME-NSHDSACASA-N 0 0 459.275 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)s2)CC1 ZINC001448585729 1066940684 /nfs/dbraw/zinc/94/06/84/1066940684.db2.gz SPSNMLXTILFFSC-RBUKOAKNSA-N 0 0 459.587 4.758 20 0 JJADRN Cc1nnc(CCCn2c(CCCc3ccccc3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492767805 1066940834 /nfs/dbraw/zinc/94/08/34/1066940834.db2.gz ZTKYQHNFUULSKE-ROUUACIJSA-N 0 0 456.685 4.576 20 0 JJADRN CNS(=O)(=O)Nc1ccc(NC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)cc1 ZINC001448598495 1066941071 /nfs/dbraw/zinc/94/10/71/1066941071.db2.gz ZUYCIUFOTWNTKO-QFIPXVFZSA-N 0 0 455.605 4.652 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3nc(C)c(Cc4c(F)cccc4F)s3)c(N)cc2F)c1 ZINC001448603972 1066941087 /nfs/dbraw/zinc/94/10/87/1066941087.db2.gz BCLIGIARLLDXEN-UHFFFAOYSA-N 0 0 457.481 4.788 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c2ccccc2)cc1 ZINC001448608946 1066941372 /nfs/dbraw/zinc/94/13/72/1066941372.db2.gz BGIZJNWEXVKMMO-XMMPIXPASA-N 0 0 458.562 4.897 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492767884 1066941343 /nfs/dbraw/zinc/94/13/43/1066941343.db2.gz GCIRONYBQWKWRS-OAGGEKHMSA-N 0 0 461.035 4.956 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N(C)CC2CCCC2)s1 ZINC001492767890 1066941528 /nfs/dbraw/zinc/94/15/28/1066941528.db2.gz GDDBWHKCRRWEDM-UHFFFAOYSA-N 0 0 467.462 4.798 20 0 JJADRN Cc1nc(NC(=O)c2cc(Br)c(=O)[nH]c2C)sc1Cc1ccc(F)cc1F ZINC001448605683 1066941548 /nfs/dbraw/zinc/94/15/48/1066941548.db2.gz JDZFXAQHSPFHIT-UHFFFAOYSA-N 0 0 454.296 4.744 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001457921159 1066942025 /nfs/dbraw/zinc/94/20/25/1066942025.db2.gz XMXIJWZRLDIWKW-LJQANCHMSA-N 0 0 453.823 4.709 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)C1CCCC1 ZINC001448613742 1066941884 /nfs/dbraw/zinc/94/18/84/1066941884.db2.gz INNGIHPFHUAGLJ-QFIPXVFZSA-N 0 0 454.567 4.785 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc(NC(=O)N(C)C)ccc3C)s2)cc1 ZINC001448616372 1066942266 /nfs/dbraw/zinc/94/22/66/1066942266.db2.gz ZTPWCYHRLJQTPF-UHFFFAOYSA-N 0 0 452.536 4.663 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)s1 ZINC001492768292 1066942286 /nfs/dbraw/zinc/94/22/86/1066942286.db2.gz SORFCHVGKGBMKE-CABCVRRESA-N 0 0 487.630 4.656 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)s1 ZINC001492768420 1066942383 /nfs/dbraw/zinc/94/23/83/1066942383.db2.gz WLKVIQBUPPGUGI-MRXNPFEDSA-N 0 0 486.951 4.549 20 0 JJADRN Cc1nnc(CCn2c(-c3ccccc3Br)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492769354 1066942725 /nfs/dbraw/zinc/94/27/25/1066942725.db2.gz AZTUHKIEUFKKPY-QGZVFWFLSA-N 0 0 461.433 4.735 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1 ZINC001457933750 1066943176 /nfs/dbraw/zinc/94/31/76/1066943176.db2.gz NQUCSRCSRUCADB-PQNGQFLHSA-N 0 0 452.595 4.640 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492771033 1066943509 /nfs/dbraw/zinc/94/35/09/1066943509.db2.gz IGWXATXHOJOWDD-QGZVFWFLSA-N 0 0 461.433 4.849 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC001448619515 1066943467 /nfs/dbraw/zinc/94/34/67/1066943467.db2.gz ITZXFWPXDNZFAD-WKILWMFISA-N 0 0 458.331 4.767 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N(Cc2cccs2)C(C)C)s1 ZINC001492770885 1066943611 /nfs/dbraw/zinc/94/36/11/1066943611.db2.gz DDZPHGVESLSION-UHFFFAOYSA-N 0 0 492.472 4.731 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC001457935497 1066943741 /nfs/dbraw/zinc/94/37/41/1066943741.db2.gz CMLPIENRVDQNLK-CRAIPNDOSA-N 0 0 458.356 4.572 20 0 JJADRN Cc1cccc(-c2ccc(NC(=O)c3cccn4c(I)cnc34)nc2)c1 ZINC001457935014 1066943825 /nfs/dbraw/zinc/94/38/25/1066943825.db2.gz SANZLDZEALUQKU-UHFFFAOYSA-N 0 0 454.271 4.562 20 0 JJADRN Cc1nnc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C(C)(C)C)CC2)s1 ZINC001492771157 1066944071 /nfs/dbraw/zinc/94/40/71/1066944071.db2.gz KRVFWQJFEFUTAI-HNNXBMFYSA-N 0 0 456.591 4.948 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)CCO1 ZINC001546095213 1066944148 /nfs/dbraw/zinc/94/41/48/1066944148.db2.gz ISDZHRBLHCVKED-RUZDIDTESA-N 0 0 453.562 4.857 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC001448623031 1066944254 /nfs/dbraw/zinc/94/42/54/1066944254.db2.gz YKPDENLYEOCKFB-HAQNSBGRSA-N 0 0 459.157 4.804 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492771765 1066944442 /nfs/dbraw/zinc/94/44/42/1066944442.db2.gz TUJGVWYJSHKOMU-UHFFFAOYSA-N 0 0 492.255 4.877 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492771812 1066944462 /nfs/dbraw/zinc/94/44/62/1066944462.db2.gz MOBNVYLIRMFXDL-IAGOWNOFSA-N 0 0 472.684 4.908 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)s1 ZINC001457941569 1066944611 /nfs/dbraw/zinc/94/46/11/1066944611.db2.gz XRUJBQQDJRRKEZ-BIBXISHDSA-N 0 0 453.536 4.770 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CC1=O ZINC001457942710 1066944749 /nfs/dbraw/zinc/94/47/49/1066944749.db2.gz HVPBDXTXVXVMOO-LRTDBIEQSA-N 0 0 450.913 4.883 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)s1 ZINC001492772283 1066944820 /nfs/dbraw/zinc/94/48/20/1066944820.db2.gz VCUYFLCECOCJPB-SJORKVTESA-N 0 0 495.422 4.637 20 0 JJADRN Cc1nnc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(Br)s2)s1 ZINC001492772465 1066944838 /nfs/dbraw/zinc/94/48/38/1066944838.db2.gz BKEJIBMVVUWWNJ-UHFFFAOYSA-N 0 0 455.451 4.535 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492772367 1066944891 /nfs/dbraw/zinc/94/48/91/1066944891.db2.gz YMUIRRSOIOQRMK-UHFFFAOYSA-N 0 0 458.607 4.763 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CC2CCC2)s1 ZINC001492772038 1066944912 /nfs/dbraw/zinc/94/49/12/1066944912.db2.gz XEANVKNWNGLWGQ-UHFFFAOYSA-N 0 0 467.824 4.806 20 0 JJADRN Cn1c2cccc(F)c2nc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001457945553 1066945175 /nfs/dbraw/zinc/94/51/75/1066945175.db2.gz BLAJIBMQNGKMRT-LJQANCHMSA-N 0 0 450.901 4.866 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cccc2cccc(Br)c21 ZINC001448627796 1066945204 /nfs/dbraw/zinc/94/52/04/1066945204.db2.gz GTXSGECQEUQHJH-CYBMUJFWSA-N 0 0 452.270 4.601 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCC(C)(C)C2)s1 ZINC001492773300 1066945269 /nfs/dbraw/zinc/94/52/69/1066945269.db2.gz BIJTWFZMIGFIDA-UHFFFAOYSA-N 0 0 467.426 4.999 20 0 JJADRN Cc1nnc(Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492772523 1066945361 /nfs/dbraw/zinc/94/53/61/1066945361.db2.gz CLSABCLJJIGHOT-UHFFFAOYSA-N 0 0 489.468 4.846 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448624834 1066945276 /nfs/dbraw/zinc/94/52/76/1066945276.db2.gz YBXNLMAMIGRCIG-UHFFFAOYSA-N 0 0 457.397 4.993 20 0 JJADRN CCN(CC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)C(=O)OC(C)(C)C ZINC001457946478 1066945574 /nfs/dbraw/zinc/94/55/74/1066945574.db2.gz QWOCCVIDODUTQJ-UHFFFAOYSA-N 0 0 451.489 4.886 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001457947391 1066945800 /nfs/dbraw/zinc/94/58/00/1066945800.db2.gz HJHQSWDGBUIXQN-HNAYVOBHSA-N 0 0 452.352 4.647 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC001457947415 1066946010 /nfs/dbraw/zinc/94/60/10/1066946010.db2.gz HJHQSWDGBUIXQN-KXBFYZLASA-N 0 0 452.352 4.647 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1Cc1sccc1Br ZINC001492774858 1066946076 /nfs/dbraw/zinc/94/60/76/1066946076.db2.gz OXDZYJKMSFZMRK-ZDUSSCGKSA-N 0 0 476.400 4.613 20 0 JJADRN Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCc1csc(C(C)C)n1 ZINC001492775076 1066946081 /nfs/dbraw/zinc/94/60/81/1066946081.db2.gz SUBVCGJLKSIHIY-MRXNPFEDSA-N 0 0 454.600 4.563 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCc1csc(C(C)C)n1 ZINC001492775075 1066946217 /nfs/dbraw/zinc/94/62/17/1066946217.db2.gz SUBVCGJLKSIHIY-INIZCTEOSA-N 0 0 454.600 4.563 20 0 JJADRN Cc1sc2ncn(CCC(=O)NCc3ccc(C)cc3O[C@@H](C)CC(C)C)c(=O)c2c1C ZINC001457948674 1066946284 /nfs/dbraw/zinc/94/62/84/1066946284.db2.gz VVGQKMSHBYVATR-KRWDZBQOSA-N 0 0 455.624 4.903 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001457949728 1066946328 /nfs/dbraw/zinc/94/63/28/1066946328.db2.gz CIYZJWMXAJOTGA-UHFFFAOYSA-N 0 0 454.084 4.841 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001546008665 1066946676 /nfs/dbraw/zinc/94/66/76/1066946676.db2.gz VDGDNNFCQVUEEZ-PKTZIBPZSA-N 0 0 493.656 4.785 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(O[C@H](C)CC(C)C)c1 ZINC001457951218 1066946845 /nfs/dbraw/zinc/94/68/45/1066946845.db2.gz YURCAMSCYVDNAH-NTKDMRAZSA-N 0 0 450.579 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N(c3ccc(F)cc3)C3CCCC3)nn2)CC1 ZINC001457950379 1066946866 /nfs/dbraw/zinc/94/68/66/1066946866.db2.gz KLVLGSCTRSZERM-UHFFFAOYSA-N 0 0 457.550 4.579 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001457951331 1066947210 /nfs/dbraw/zinc/94/72/10/1066947210.db2.gz GCWUMYUPYNXIKH-ZWKOTPCHSA-N 0 0 456.505 4.879 20 0 JJADRN Cc1cc([C@@H](CC(=O)N[C@@H]2CCOC3(CCCC3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457954059 1066947567 /nfs/dbraw/zinc/94/75/67/1066947567.db2.gz MSLDIFPLFSFTNC-QZTJIDSGSA-N 0 0 451.995 4.607 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc(C)cc1 ZINC001457953588 1066947627 /nfs/dbraw/zinc/94/76/27/1066947627.db2.gz LQOFXGXDSCPQFU-HSZRJFAPSA-N 0 0 459.631 4.638 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(Cl)cc1Cl ZINC001448669199 1066947583 /nfs/dbraw/zinc/94/75/83/1066947583.db2.gz LUPLAGQXLMIMAR-WKILWMFISA-N 0 0 455.407 4.604 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)n2)c1 ZINC001448668679 1066947684 /nfs/dbraw/zinc/94/76/84/1066947684.db2.gz CKRQPGWPVRDCOB-CQSZACIVSA-N 0 0 454.962 4.694 20 0 JJADRN CCCc1c(NC(=O)c2ncccc2NCC2CCC2)cnn1-c1cc(F)c(OC)cc1F ZINC001448669844 1066947735 /nfs/dbraw/zinc/94/77/35/1066947735.db2.gz CKQGUOMHWHIVFO-UHFFFAOYSA-N 0 0 455.509 4.971 20 0 JJADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1Cc1nc2cccc(Cl)c2n1C ZINC001492782553 1066948148 /nfs/dbraw/zinc/94/81/48/1066948148.db2.gz QBXGJMRTAVCBPR-UHFFFAOYSA-N 0 0 465.808 4.635 20 0 JJADRN Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492782740 1066948160 /nfs/dbraw/zinc/94/81/60/1066948160.db2.gz XNAHPVSRISGALK-DEOSSOPVSA-N 0 0 493.656 4.647 20 0 JJADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1CCCn1c(C)nc2ccccc21 ZINC001492782268 1066948185 /nfs/dbraw/zinc/94/81/85/1066948185.db2.gz FYRJAXFZNLWNCB-UHFFFAOYSA-N 0 0 459.417 4.795 20 0 JJADRN CCCc1c(NC(=O)c2cnn(CCC(F)(F)F)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001448672456 1066948287 /nfs/dbraw/zinc/94/82/87/1066948287.db2.gz IKVIKQCUQRMNCW-UHFFFAOYSA-N 0 0 457.403 4.513 20 0 JJADRN Cc1nnc(N(C)Cc2ccccc2Br)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001492781643 1066948237 /nfs/dbraw/zinc/94/82/37/1066948237.db2.gz GESKSADJUVHUTB-UHFFFAOYSA-N 0 0 480.197 4.988 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCCc3ccc4c(c3)OCCO4)c12 ZINC001457956913 1066948456 /nfs/dbraw/zinc/94/84/56/1066948456.db2.gz YCHHSKQRVNRKSX-UHFFFAOYSA-N 0 0 450.583 4.752 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546095400 1066948465 /nfs/dbraw/zinc/94/84/65/1066948465.db2.gz MBSYNJQREUKXHU-AMGIVPHBSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1nnc(N(C)CCc2ccc(Br)cc2)n1CCc1nc2c(s1)CCCC2 ZINC001492784813 1066948536 /nfs/dbraw/zinc/94/85/36/1066948536.db2.gz ALSAKSXFAISGJK-UHFFFAOYSA-N 0 0 460.445 4.606 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)C2)cc1 ZINC001448673667 1066948664 /nfs/dbraw/zinc/94/86/64/1066948664.db2.gz HDDARNJAQPCEBK-WIYYLYMNSA-N 0 0 452.551 4.953 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448673407 1066948710 /nfs/dbraw/zinc/94/87/10/1066948710.db2.gz NYNSGXQUQPPBLX-INIZCTEOSA-N 0 0 457.880 4.646 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)C2)cc1 ZINC001448673630 1066948758 /nfs/dbraw/zinc/94/87/58/1066948758.db2.gz HDDARNJAQPCEBK-NQIIRXRSSA-N 0 0 452.551 4.953 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1cncc(I)c1)C(C)(C)C ZINC001457961174 1066948845 /nfs/dbraw/zinc/94/88/45/1066948845.db2.gz MORNVNUBOFVJKJ-KRWDZBQOSA-N 0 0 452.336 4.527 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(C)(C)C ZINC001457966524 1066949629 /nfs/dbraw/zinc/94/96/29/1066949629.db2.gz VMSLHJCUJHBNBU-QHCPKHFHSA-N 0 0 452.595 4.957 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448679721 1066949984 /nfs/dbraw/zinc/94/99/84/1066949984.db2.gz APAKRXPOTMZXDA-UHFFFAOYSA-N 0 0 456.340 4.679 20 0 JJADRN Cc1nnc(N(Cc2ccccc2)CC2CCOCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492789474 1066949998 /nfs/dbraw/zinc/94/99/98/1066949998.db2.gz ZQRQOULUBZYHMX-QHCPKHFHSA-N 0 0 471.646 4.569 20 0 JJADRN Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492790250 1066950382 /nfs/dbraw/zinc/95/03/82/1066950382.db2.gz ZEJISOSFBJWJTR-IBGZPJMESA-N 0 0 466.529 4.823 20 0 JJADRN Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492792610 1066950393 /nfs/dbraw/zinc/95/03/93/1066950393.db2.gz AKKBCVBAPORPBI-SGTLLEGYSA-N 0 0 454.930 4.918 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492790878 1066950501 /nfs/dbraw/zinc/95/05/01/1066950501.db2.gz SZTRGELXXGKISU-CHWSQXEVSA-N 0 0 467.355 4.703 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@@H](O)c1ccccc1 ZINC001448686384 1066950970 /nfs/dbraw/zinc/95/09/70/1066950970.db2.gz HAXDPCVNWQTJBM-RTWAWAEBSA-N 0 0 459.409 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C1CC1 ZINC001448684502 1066950980 /nfs/dbraw/zinc/95/09/80/1066950980.db2.gz XTSFWAKMRJOYPK-AWEZNQCLSA-N 0 0 452.420 4.981 20 0 JJADRN O=C(/C=C/c1ccccc1C(F)(F)F)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448685686 1066951002 /nfs/dbraw/zinc/95/10/02/1066951002.db2.gz MNZSIQPWRQFWFD-CMDGGOBGSA-N 0 0 452.230 4.848 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1-c1ccc(Cl)cc1 ZINC001457979455 1066951216 /nfs/dbraw/zinc/95/12/16/1066951216.db2.gz IGEFIHYVLYHKRJ-ZDUSSCGKSA-N 0 0 453.955 4.948 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc4cccc(Br)c4n3)C2)cc1 ZINC001457978962 1066951239 /nfs/dbraw/zinc/95/12/39/1066951239.db2.gz IELSUHKGSRSEHN-SFHVURJKSA-N 0 0 452.352 4.797 20 0 JJADRN CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001448687651 1066951355 /nfs/dbraw/zinc/95/13/55/1066951355.db2.gz HNFPPHJHASOVBG-MJGOQNOKSA-N 0 0 452.437 4.927 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001492796846 1066951307 /nfs/dbraw/zinc/95/13/07/1066951307.db2.gz KHDSUCCSLWBPMN-UHFFFAOYSA-N 0 0 450.486 4.694 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492797984 1066951365 /nfs/dbraw/zinc/95/13/65/1066951365.db2.gz UTQUIZHLRYPYBZ-WBVHZDCISA-N 0 0 470.927 4.784 20 0 JJADRN C[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001448687539 1066951479 /nfs/dbraw/zinc/95/14/79/1066951479.db2.gz QKNJRTJELIUYKE-NSHDSACASA-N 0 0 454.246 4.938 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492798478 1066951699 /nfs/dbraw/zinc/95/16/99/1066951699.db2.gz GYQIAKBOZVXJAR-MJGOQNOKSA-N 0 0 457.644 4.651 20 0 JJADRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001448689218 1066951809 /nfs/dbraw/zinc/95/18/09/1066951809.db2.gz VKKFXXCGLFJFOP-PGRDOPGGSA-N 0 0 454.615 4.601 20 0 JJADRN CSc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1 ZINC001448688359 1066951876 /nfs/dbraw/zinc/95/18/76/1066951876.db2.gz QGORGBAAVQONSM-UHFFFAOYSA-N 0 0 454.617 4.799 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cnc(-c3ccccc3)s2)nn1-c1cccc(C(F)(F)F)c1 ZINC001457983649 1066951887 /nfs/dbraw/zinc/95/18/87/1066951887.db2.gz UGFNJCWMOLMDCK-UHFFFAOYSA-N 0 0 456.449 4.936 20 0 JJADRN Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492798867 1066952170 /nfs/dbraw/zinc/95/21/70/1066952170.db2.gz OASXFSVCPZNOPM-WMZOPIPTSA-N 0 0 479.316 4.590 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001492798873 1066952241 /nfs/dbraw/zinc/95/22/41/1066952241.db2.gz OHFZIOJKKBTTNZ-BSLALVQMSA-N 0 0 457.594 4.974 20 0 JJADRN Cc1cc(CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1I ZINC001448689934 1066952228 /nfs/dbraw/zinc/95/22/28/1066952228.db2.gz YUTYFUQSDXQDMP-UHFFFAOYSA-N 0 0 451.695 4.573 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@H](O)c1ccccc1 ZINC001448691958 1066952286 /nfs/dbraw/zinc/95/22/86/1066952286.db2.gz NSJSMHMWNRCZMW-DHIUTWEWSA-N 0 0 454.617 4.967 20 0 JJADRN CCO[C@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001448691428 1066952305 /nfs/dbraw/zinc/95/23/05/1066952305.db2.gz NNKGXVBOMQOBDI-HSZRJFAPSA-N 0 0 452.595 4.849 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)c1ccc(OC)cc1OC ZINC001457985659 1066952320 /nfs/dbraw/zinc/95/23/20/1066952320.db2.gz RDMBXYXNEBQDSR-INIZCTEOSA-N 0 0 458.363 4.767 20 0 JJADRN CSc1nccn1-c1ccc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1 ZINC001457986551 1066952348 /nfs/dbraw/zinc/95/23/48/1066952348.db2.gz VROPXCAVTGOTGA-NTKDMRAZSA-N 0 0 456.612 4.504 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccsc1Br ZINC001492799239 1066952573 /nfs/dbraw/zinc/95/25/73/1066952573.db2.gz YVOUBVQZXSIOBA-UHFFFAOYSA-N 0 0 463.245 4.780 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC ZINC001448696990 1066952693 /nfs/dbraw/zinc/95/26/93/1066952693.db2.gz SYQMWZZWFSPMQH-UXHICEINSA-N 0 0 450.373 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCOCc2ccc(Cl)cc2)CC[C@H]2CCCC[C@@H]21 ZINC001457988057 1066952798 /nfs/dbraw/zinc/95/27/98/1066952798.db2.gz JSRSJGWZFOTBSH-GIVPXCGWSA-N 0 0 451.007 4.931 20 0 JJADRN Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492799879 1066952979 /nfs/dbraw/zinc/95/29/79/1066952979.db2.gz QSTXXJZEMKQALP-OAQYLSRUSA-N 0 0 460.047 4.992 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC001448719660 1066953154 /nfs/dbraw/zinc/95/31/54/1066953154.db2.gz LTCKLIJAHAXDCO-UBFVSLLYSA-N 0 0 455.620 4.515 20 0 JJADRN COc1cc(SC)ccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001448717802 1066953164 /nfs/dbraw/zinc/95/31/64/1066953164.db2.gz FBIJSQSZWHVMKP-NRFANRHFSA-N 0 0 451.548 4.948 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H]1CSc2ccccc21 ZINC001492804471 1066953490 /nfs/dbraw/zinc/95/34/90/1066953490.db2.gz ZGIHRPCUHVDCKV-IBGZPJMESA-N 0 0 457.644 4.559 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448721849 1066953539 /nfs/dbraw/zinc/95/35/39/1066953539.db2.gz NOHRQXCOAGAIJR-UHFFFAOYSA-N 0 0 459.793 4.566 20 0 JJADRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1OCc1ccccc1Br ZINC001457990599 1066953628 /nfs/dbraw/zinc/95/36/28/1066953628.db2.gz GNJKPBDQIJFBJO-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN COC(=O)c1sc(NC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)nc1C1CC1 ZINC001457997959 1066954558 /nfs/dbraw/zinc/95/45/58/1066954558.db2.gz LUWOBDHZLXSKID-UHFFFAOYSA-N 0 0 452.580 4.548 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001448730990 1066954733 /nfs/dbraw/zinc/95/47/33/1066954733.db2.gz NYXKFAHEDHZNRW-HDICACEKSA-N 0 0 457.640 4.971 20 0 JJADRN O=C(CNS(=O)(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 ZINC001448730481 1066954758 /nfs/dbraw/zinc/95/47/58/1066954758.db2.gz CGHIEJBCTTXNFD-UHFFFAOYSA-N 0 0 453.322 4.717 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001492821318 1066954847 /nfs/dbraw/zinc/95/48/47/1066954847.db2.gz QUYUMQVRGMLZHM-MCSCQSGASA-N 0 0 461.601 4.732 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC001448729824 1066954901 /nfs/dbraw/zinc/95/49/01/1066954901.db2.gz PHCTZJYMVUWMAN-UHFFFAOYSA-N 0 0 456.478 4.559 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1OC ZINC001448739472 1066955341 /nfs/dbraw/zinc/95/53/41/1066955341.db2.gz PPMLZQVUFWTEPU-IWKCEXAMSA-N 0 0 454.405 4.648 20 0 JJADRN C[C@]1(c2ccc(C(=O)Nc3ccc(Cl)cc3-c3cccc(Cl)c3)cc2)NC(=O)NC1=O ZINC001448738403 1066955420 /nfs/dbraw/zinc/95/54/20/1066955420.db2.gz WVMUUVDDPOBJNL-HSZRJFAPSA-N 0 0 454.313 4.967 20 0 JJADRN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@](C)(O)CCC(C)C ZINC001492829861 1066955507 /nfs/dbraw/zinc/95/55/07/1066955507.db2.gz DOJFZLPBNBUFSQ-VWLOTQADSA-N 0 0 457.619 4.683 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001492837214 1066955900 /nfs/dbraw/zinc/95/59/00/1066955900.db2.gz FQAZCKHUFODCPR-HKUYNNGSSA-N 0 0 459.610 4.833 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492836699 1066955932 /nfs/dbraw/zinc/95/59/32/1066955932.db2.gz BBCHHMAERSHOIX-ZOBUZTSGSA-N 0 0 470.927 4.784 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448764678 1066956159 /nfs/dbraw/zinc/95/61/59/1066956159.db2.gz BPUMGTAFQNAOHY-HXUWFJFHSA-N 0 0 455.389 4.790 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C(C)(C)C)ccc32)ccc1OC ZINC001458005426 1066956181 /nfs/dbraw/zinc/95/61/81/1066956181.db2.gz PSGFRTBBSUDAIF-UHFFFAOYSA-N 0 0 458.624 4.616 20 0 JJADRN O=C(c1ccc(CSc2cc(Cl)ccc2Cl)cc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001458010367 1066956198 /nfs/dbraw/zinc/95/61/98/1066956198.db2.gz JFXSKHQCLLQNQK-KRWDZBQOSA-N 0 0 451.375 4.952 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC001448770324 1066956223 /nfs/dbraw/zinc/95/62/23/1066956223.db2.gz ANCPSPFDHAXHPO-UHFFFAOYSA-N 0 0 453.474 4.637 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)nc1)c1ccccc1 ZINC001448773189 1066956264 /nfs/dbraw/zinc/95/62/64/1066956264.db2.gz IHZVWPRCPXBSAR-UHFFFAOYSA-N 0 0 454.461 4.978 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)NCc3cccc(NC(=O)c4ccccc4)c3)n2)ccc1F ZINC001458007496 1066956261 /nfs/dbraw/zinc/95/62/61/1066956261.db2.gz CURGJZBFISNWBA-UHFFFAOYSA-N 0 0 458.493 4.685 20 0 JJADRN Cc1cc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)ccc1Oc1ccncc1 ZINC001448775378 1066956920 /nfs/dbraw/zinc/95/69/20/1066956920.db2.gz IIIVVTMBMFPPQF-ULJHMMPZSA-N 0 0 450.498 4.987 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492847170 1066957075 /nfs/dbraw/zinc/95/70/75/1066957075.db2.gz IXNICSXZIZSFGY-OAHLLOKOSA-N 0 0 452.456 4.683 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)cc2)n1 ZINC001448782805 1066957707 /nfs/dbraw/zinc/95/77/07/1066957707.db2.gz CTPRDYONGLCCDE-DEOSSOPVSA-N 0 0 450.564 4.726 20 0 JJADRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001448795664 1066958109 /nfs/dbraw/zinc/95/81/09/1066958109.db2.gz ZPGKOJWCAXFHFE-KKSFZXQISA-N 0 0 456.340 4.825 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CCO1 ZINC001546096043 1066958191 /nfs/dbraw/zinc/95/81/91/1066958191.db2.gz YQCWNTOITFSMSE-KRWDZBQOSA-N 0 0 463.754 4.515 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001492851329 1066958410 /nfs/dbraw/zinc/95/84/10/1066958410.db2.gz CGWZJVJWICXMNE-IBGZPJMESA-N 0 0 462.520 4.726 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2cnc3ccc(Br)cc3c2O)s1 ZINC001448802792 1066958600 /nfs/dbraw/zinc/95/86/00/1066958600.db2.gz WEIBRUQKZPLTEI-UHFFFAOYSA-N 0 0 459.300 4.509 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492851500 1066958555 /nfs/dbraw/zinc/95/85/55/1066958555.db2.gz FDKRAQXVKZTHQS-VQIMIIECSA-N 0 0 496.425 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2cc(Br)cnc2n1)C(C)(C)C ZINC001458031436 1066958520 /nfs/dbraw/zinc/95/85/20/1066958520.db2.gz ZNNBODFDKIAKTD-AWEZNQCLSA-N 0 0 451.365 4.660 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC001448799291 1066958670 /nfs/dbraw/zinc/95/86/70/1066958670.db2.gz USYYATKUTIOFOV-AWEZNQCLSA-N 0 0 454.395 4.528 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001492851776 1066958883 /nfs/dbraw/zinc/95/88/83/1066958883.db2.gz JYHNOBADZGHKHZ-WIYYLYMNSA-N 0 0 492.615 4.582 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2[nH]1 ZINC001492851660 1066959017 /nfs/dbraw/zinc/95/90/17/1066959017.db2.gz HHHTXQIZJYNYQX-HXUWFJFHSA-N 0 0 488.583 4.782 20 0 JJADRN Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001492859116 1066959386 /nfs/dbraw/zinc/95/93/86/1066959386.db2.gz GTWHYUPVBXOKAC-IBGZPJMESA-N 0 0 465.451 4.509 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1NC(N)=O ZINC001448816587 1066959392 /nfs/dbraw/zinc/95/93/92/1066959392.db2.gz YQWZNQNCYLXFHM-UHFFFAOYSA-N 0 0 458.301 4.976 20 0 JJADRN CN(C(N)=O)c1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c1 ZINC001448811000 1066959520 /nfs/dbraw/zinc/95/95/20/1066959520.db2.gz PFJSMQACUJUHCD-UHFFFAOYSA-N 0 0 454.324 4.795 20 0 JJADRN Cc1nnc(N2CCC[C@@H]2Cc2cccs2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001492880849 1066959500 /nfs/dbraw/zinc/95/95/00/1066959500.db2.gz HPDRCHITEJRBOX-LJQANCHMSA-N 0 0 450.530 4.987 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1nccs1)NC(=O)OC(C)(C)C ZINC001546009859 1066959909 /nfs/dbraw/zinc/95/99/09/1066959909.db2.gz APNCKPURFNAKPW-GOSISDBHSA-N 0 0 486.642 4.562 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)cc1 ZINC001458044314 1066960045 /nfs/dbraw/zinc/96/00/45/1066960045.db2.gz WOGHAWSEGLFQLO-UHFFFAOYSA-N 0 0 454.636 4.582 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCC(C)(c3cccc(Br)c3)CC1)C2 ZINC001458045981 1066960336 /nfs/dbraw/zinc/96/03/36/1066960336.db2.gz MDEFWXJKKHZIRU-XMMPIXPASA-N 0 0 456.380 4.809 20 0 JJADRN Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001492927445 1066960376 /nfs/dbraw/zinc/96/03/76/1066960376.db2.gz STLTXECWZADSHA-UHFFFAOYSA-N 0 0 474.625 4.823 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001492902838 1066960405 /nfs/dbraw/zinc/96/04/05/1066960405.db2.gz YHWXVKXJRJLESY-UWJYYQICSA-N 0 0 451.537 4.527 20 0 JJADRN CC1(F)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)C1 ZINC001448826377 1066960379 /nfs/dbraw/zinc/96/03/79/1066960379.db2.gz JRRGIBGVTXHIPV-UHFFFAOYSA-N 0 0 451.354 4.904 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)C2([C@H]3CCCCO3)CCOCC2)CC1 ZINC001458047912 1066960638 /nfs/dbraw/zinc/96/06/38/1066960638.db2.gz VFEDDSGMXMNBBL-HXUWFJFHSA-N 0 0 450.417 4.695 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492943124 1066960733 /nfs/dbraw/zinc/96/07/33/1066960733.db2.gz OXMLUCFAUAFHRB-FCHUYYIVSA-N 0 0 490.048 4.998 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492940871 1066960827 /nfs/dbraw/zinc/96/08/27/1066960827.db2.gz DPSZNMLGLYSAOH-HMXCVIKNSA-N 0 0 478.584 4.996 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001492940794 1066960891 /nfs/dbraw/zinc/96/08/91/1066960891.db2.gz CUENDKWMSJVKRD-QGZVFWFLSA-N 0 0 470.307 4.516 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448835715 1066961130 /nfs/dbraw/zinc/96/11/30/1066961130.db2.gz DDXVYAJZLLWINW-IIAWOOMASA-N 0 0 457.384 4.671 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2)cc1 ZINC001448833666 1066961147 /nfs/dbraw/zinc/96/11/47/1066961147.db2.gz BIZFPMSULTUWSM-XLIONFOSSA-N 0 0 456.587 4.697 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448836039 1066961309 /nfs/dbraw/zinc/96/13/09/1066961309.db2.gz DPZAMUAISCOCNQ-PXNSSMCTSA-N 0 0 453.583 4.952 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc(-c2cccs2)nc1C ZINC001458052807 1066961589 /nfs/dbraw/zinc/96/15/89/1066961589.db2.gz KJWYVOOXOOVLIQ-IBGZPJMESA-N 0 0 459.365 4.867 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001546009930 1066961613 /nfs/dbraw/zinc/96/16/13/1066961613.db2.gz BRZMLXKYAHFJEY-LJQANCHMSA-N 0 0 457.619 4.766 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001546009929 1066961638 /nfs/dbraw/zinc/96/16/38/1066961638.db2.gz BRZMLXKYAHFJEY-IBGZPJMESA-N 0 0 457.619 4.766 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492949501 1066961817 /nfs/dbraw/zinc/96/18/17/1066961817.db2.gz VIVDBOXFYQNSDV-IBGZPJMESA-N 0 0 498.912 4.873 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc(C)c1OCc1cccnc1 ZINC001448840181 1066962075 /nfs/dbraw/zinc/96/20/75/1066962075.db2.gz HQNBHBPMVWPIFI-DENIHFKCSA-N 0 0 453.583 4.795 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)Cc1coc2cc(Cl)ccc12 ZINC001458052962 1066962202 /nfs/dbraw/zinc/96/22/02/1066962202.db2.gz LCOZZJLGNWRLRQ-LJQANCHMSA-N 0 0 450.716 4.764 20 0 JJADRN COc1cc(F)cc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 ZINC001458054959 1066962468 /nfs/dbraw/zinc/96/24/68/1066962468.db2.gz JHAUXZCHBUYPQL-UHFFFAOYSA-N 0 0 458.331 4.591 20 0 JJADRN Cc1ccccc1C1(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCC1 ZINC001545695094 1066962661 /nfs/dbraw/zinc/96/26/61/1066962661.db2.gz FLVXDZONSJDABJ-UHFFFAOYSA-N 0 0 452.551 4.673 20 0 JJADRN Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(F)cccc1OC(F)F ZINC001492975302 1066962692 /nfs/dbraw/zinc/96/26/92/1066962692.db2.gz OPIDSGQANOJJIJ-VQIMIIECSA-N 0 0 495.546 4.505 20 0 JJADRN COCc1nc2sc(C(=O)NCCCOc3ccc4ccccc4c3)c(C)c2c(OC)n1 ZINC001545695585 1066962813 /nfs/dbraw/zinc/96/28/13/1066962813.db2.gz XQUMEEBYWWQGRJ-UHFFFAOYSA-N 0 0 451.548 4.507 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1Br ZINC001448843924 1066962895 /nfs/dbraw/zinc/96/28/95/1066962895.db2.gz MKXPNXHXVNPWFG-GOEBONIOSA-N 0 0 455.393 4.754 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1Br ZINC001448843935 1066962989 /nfs/dbraw/zinc/96/29/89/1066962989.db2.gz MKXPNXHXVNPWFG-HOCLYGCPSA-N 0 0 455.393 4.754 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)ccc1F ZINC001458056532 1066962976 /nfs/dbraw/zinc/96/29/76/1066962976.db2.gz OXGUKUOQPRKLFY-MRXNPFEDSA-N 0 0 458.530 4.810 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](C)C1 ZINC001545696865 1066963089 /nfs/dbraw/zinc/96/30/89/1066963089.db2.gz WTUCGEGWYRLZTR-RBUKOAKNSA-N 0 0 450.587 4.531 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001448846775 1066963303 /nfs/dbraw/zinc/96/33/03/1066963303.db2.gz PQZYFJSVEPJCKM-PBHICJAKSA-N 0 0 455.393 4.754 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001448846778 1066963331 /nfs/dbraw/zinc/96/33/31/1066963331.db2.gz PQZYFJSVEPJCKM-RHSMWYFYSA-N 0 0 455.393 4.754 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458057299 1066963408 /nfs/dbraw/zinc/96/34/08/1066963408.db2.gz RKMWVUCWYFABBK-HOYKHHGWSA-N 0 0 452.551 4.523 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001545697524 1066963489 /nfs/dbraw/zinc/96/34/89/1066963489.db2.gz PKGYKSFTRDGMLM-HTAPYJJXSA-N 0 0 452.551 4.664 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001545697271 1066963623 /nfs/dbraw/zinc/96/36/23/1066963623.db2.gz GXHNKKONXHJCJG-MHECFPHRSA-N 0 0 450.966 4.996 20 0 JJADRN COc1cc(F)cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 ZINC001458058410 1066964055 /nfs/dbraw/zinc/96/40/55/1066964055.db2.gz WXMXCZLOJRUDTM-GOSISDBHSA-N 0 0 456.436 4.735 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001545701535 1066964247 /nfs/dbraw/zinc/96/42/47/1066964247.db2.gz LWMNXKRTTNQMAD-OAHLLOKOSA-N 0 0 457.516 4.576 20 0 JJADRN Cc1ccc(Cn2c(=O)c3ccccc3nc2Sc2ncnc(F)c2Br)cc1 ZINC001458059740 1066964347 /nfs/dbraw/zinc/96/43/47/1066964347.db2.gz DLHJHMIPZIECKS-UHFFFAOYSA-N 0 0 457.328 4.596 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001545702231 1066964797 /nfs/dbraw/zinc/96/47/97/1066964797.db2.gz XZZUWKINIQDSBX-GWJPWWOOSA-N 0 0 478.468 4.502 20 0 JJADRN O=C(NCc1c(F)cccc1OC(F)F)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001448861623 1066964907 /nfs/dbraw/zinc/96/49/07/1066964907.db2.gz SUDZJWZBVSMCDY-UHFFFAOYSA-N 0 0 456.346 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F ZINC001448863845 1066965299 /nfs/dbraw/zinc/96/52/99/1066965299.db2.gz FSRPOSPRCQEZFU-VGSWGCGISA-N 0 0 459.537 4.563 20 0 JJADRN CCN(C(=O)CNC(=O)c1ccc(F)cc1F)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702420 1066965336 /nfs/dbraw/zinc/96/53/36/1066965336.db2.gz BSNCDUCPTKBMPV-KRWDZBQOSA-N 0 0 452.501 4.980 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)c(F)cc1Br ZINC001458065689 1066965343 /nfs/dbraw/zinc/96/53/43/1066965343.db2.gz BFUDXEPIBUXUBQ-MRVPVSSYSA-N 0 0 451.080 4.990 20 0 JJADRN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC001448865587 1066965458 /nfs/dbraw/zinc/96/54/58/1066965458.db2.gz BDVJTADKHRKVBF-INIZCTEOSA-N 0 0 452.294 4.606 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001546010157 1066965491 /nfs/dbraw/zinc/96/54/91/1066965491.db2.gz GVRMPQSJPURHBP-KRWDZBQOSA-N 0 0 494.434 4.523 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001448867011 1066965553 /nfs/dbraw/zinc/96/55/53/1066965553.db2.gz HEUBUSTWMLTZTG-YVNCXZRQSA-N 0 0 452.599 4.712 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N3CCN(c4ccc(F)cc4Cl)CC3)cs2)cc1 ZINC001458066533 1066965782 /nfs/dbraw/zinc/96/57/82/1066965782.db2.gz HBYVBZZNXIUMPK-UHFFFAOYSA-N 0 0 459.974 4.893 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CCN(c4ccc(F)cc4Cl)CC3)cc2s1 ZINC001458066309 1066965835 /nfs/dbraw/zinc/96/58/35/1066965835.db2.gz GLWMSZGFNZMRHP-UHFFFAOYSA-N 0 0 453.008 4.959 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC001448871475 1066965943 /nfs/dbraw/zinc/96/59/43/1066965943.db2.gz NAQKHULVQZPBLG-GOSISDBHSA-N 0 0 452.617 4.546 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001545704352 1066966070 /nfs/dbraw/zinc/96/60/70/1066966070.db2.gz XMUVHJXSPRIREB-DFHRPNOPSA-N 0 0 479.669 4.703 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001458067636 1066966007 /nfs/dbraw/zinc/96/60/07/1066966007.db2.gz KUYSALWWIHSSPX-RDTXWAMCSA-N 0 0 459.400 4.965 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3c(C)ccc(F)c3Br)c2)ccn1 ZINC001458068035 1066966226 /nfs/dbraw/zinc/96/62/26/1066966226.db2.gz BBMHSXYCBBBWJE-UHFFFAOYSA-N 0 0 459.271 4.663 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001546010256 1066966347 /nfs/dbraw/zinc/96/63/47/1066966347.db2.gz IWGBXEBJVRVPSJ-GGAORHGYSA-N 0 0 466.630 4.789 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c2ccc(Br)cc2n1 ZINC001448876564 1066966362 /nfs/dbraw/zinc/96/63/62/1066966362.db2.gz TUNRDZIFJGWIDK-UHFFFAOYSA-N 0 0 452.308 4.602 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ncccc4C)CC3)s2)cc1OC ZINC001448874849 1066966402 /nfs/dbraw/zinc/96/64/02/1066966402.db2.gz KSRBDNKJAWBHMT-UHFFFAOYSA-N 0 0 453.564 4.523 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1 ZINC001545705511 1066966419 /nfs/dbraw/zinc/96/64/19/1066966419.db2.gz BMCYVTJCSMAJOA-PXNSSMCTSA-N 0 0 471.602 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458071222 1066966980 /nfs/dbraw/zinc/96/69/80/1066966980.db2.gz ZLRNESINODKNQG-LJQANCHMSA-N 0 0 453.986 4.553 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458071207 1066967010 /nfs/dbraw/zinc/96/70/10/1066967010.db2.gz BZXUFILXQYCBBE-JWQCQUIFSA-N 0 0 453.546 4.637 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cnn1-c1ccccc1C ZINC001448889317 1066967071 /nfs/dbraw/zinc/96/70/71/1066967071.db2.gz JPXXQOUGKXEKJS-HXUWFJFHSA-N 0 0 453.384 4.968 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC(C)(C)C1 ZINC001545705916 1066967154 /nfs/dbraw/zinc/96/71/54/1066967154.db2.gz IUEDFBSKTVKSRO-FQEVSTJZSA-N 0 0 487.714 4.926 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001458072645 1066967242 /nfs/dbraw/zinc/96/72/42/1066967242.db2.gz XPQKXTZBLIQCMT-UHFFFAOYSA-N 0 0 455.407 4.665 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001545706207 1066967500 /nfs/dbraw/zinc/96/75/00/1066967500.db2.gz NUKCSTMUEVJJMR-XWGVYQGASA-N 0 0 451.659 4.917 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H]3CSc4ccc(Br)cc43)c2N1 ZINC001448893545 1066967590 /nfs/dbraw/zinc/96/75/90/1066967590.db2.gz XKBXHIJYXSAYBN-CWONEXCFSA-N 0 0 461.307 4.530 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458074155 1066967741 /nfs/dbraw/zinc/96/77/41/1066967741.db2.gz GYWOJBDOTZUZHK-HKUYNNGSSA-N 0 0 452.864 4.937 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448891413 1066967689 /nfs/dbraw/zinc/96/76/89/1066967689.db2.gz MJGODHVAXJICLQ-NRFANRHFSA-N 0 0 458.400 4.648 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 ZINC001545706332 1066967893 /nfs/dbraw/zinc/96/78/93/1066967893.db2.gz PMKJUGYLCBUBCD-DENIHFKCSA-N 0 0 465.598 4.713 20 0 JJADRN C[C@H](O)C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001448895362 1066967934 /nfs/dbraw/zinc/96/79/34/1066967934.db2.gz PNLCAHYDODXURH-LPHOPBHVSA-N 0 0 458.484 4.719 20 0 JJADRN C[C@H](O)C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001448895363 1066968011 /nfs/dbraw/zinc/96/80/11/1066968011.db2.gz PNLCAHYDODXURH-QFBILLFUSA-N 0 0 458.484 4.719 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001545706542 1066968239 /nfs/dbraw/zinc/96/82/39/1066968239.db2.gz UFKHVNMFWZPRTJ-DYESRHJHSA-N 0 0 471.602 4.704 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001545706543 1066968255 /nfs/dbraw/zinc/96/82/55/1066968255.db2.gz UFKHVNMFWZPRTJ-LAUBAEHRSA-N 0 0 471.602 4.704 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001545706741 1066968340 /nfs/dbraw/zinc/96/83/40/1066968340.db2.gz XSWJTEZCYRFERY-OAHLLOKOSA-N 0 0 487.954 4.594 20 0 JJADRN COc1ncc(Br)cc1COC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC001458077807 1066968365 /nfs/dbraw/zinc/96/83/65/1066968365.db2.gz NNNRLQOCWKTGJN-UHFFFAOYSA-N 0 0 459.134 4.759 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2cc(Br)cc(C)c2o1)c1ccc(Cl)c(F)c1 ZINC001458077941 1066968502 /nfs/dbraw/zinc/96/85/02/1066968502.db2.gz XLPSBFFDKWXOHM-INIZCTEOSA-N 0 0 454.679 4.940 20 0 JJADRN COc1ncc(Br)cc1COC(=O)COc1ccccc1OCc1ccccc1 ZINC001458077967 1066968535 /nfs/dbraw/zinc/96/85/35/1066968535.db2.gz NRTWBEHEOAFNHJ-UHFFFAOYSA-N 0 0 458.308 4.554 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)cc2)c(OC)c1 ZINC001448899538 1066968547 /nfs/dbraw/zinc/96/85/47/1066968547.db2.gz CCDZTRPWQDMRBY-UHFFFAOYSA-N 0 0 451.454 4.795 20 0 JJADRN CC(C)C[C@]1(CO)CCCN1C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001448901703 1066968565 /nfs/dbraw/zinc/96/85/65/1066968565.db2.gz DANXEHPOXJGWEJ-SFHVURJKSA-N 0 0 459.178 4.971 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC001545707318 1066968632 /nfs/dbraw/zinc/96/86/32/1066968632.db2.gz KBHCPFYADYIEST-ZEQRLZLVSA-N 0 0 450.604 4.739 20 0 JJADRN CC[C@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458078163 1066968764 /nfs/dbraw/zinc/96/87/64/1066968764.db2.gz SAEYIELTYABTQP-VXKWHMMOSA-N 0 0 458.566 4.732 20 0 JJADRN CCCC[C@@](C)(NC(=O)c1nc[nH]c(=O)c1Br)c1cccc(Br)c1 ZINC001448907333 1066968903 /nfs/dbraw/zinc/96/89/03/1066968903.db2.gz SCRCLDBLQRMJIV-QGZVFWFLSA-N 0 0 457.166 4.543 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001448907719 1066968920 /nfs/dbraw/zinc/96/89/20/1066968920.db2.gz LAHLDAHKCBHWIT-UHFFFAOYSA-N 0 0 455.328 4.548 20 0 JJADRN CC[C@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458078160 1066968801 /nfs/dbraw/zinc/96/88/01/1066968801.db2.gz SAEYIELTYABTQP-FCHUYYIVSA-N 0 0 458.566 4.732 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(F)c1 ZINC001458078551 1066968845 /nfs/dbraw/zinc/96/88/45/1066968845.db2.gz ZPZLOJNVCXBVSH-HXUWFJFHSA-N 0 0 455.873 4.767 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001545708107 1066969105 /nfs/dbraw/zinc/96/91/05/1066969105.db2.gz CMKHNZGKYFKRAU-SFHLNBCPSA-N 0 0 495.659 4.907 20 0 JJADRN COc1nc(C)cc(Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)n1 ZINC001458078863 1066969275 /nfs/dbraw/zinc/96/92/75/1066969275.db2.gz MONSVCZPFUBEPW-UHFFFAOYSA-N 0 0 458.341 4.607 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)CCCCC2)c(Br)c1 ZINC001448913501 1066969213 /nfs/dbraw/zinc/96/92/13/1066969213.db2.gz KSAWPFFBURJEPJ-SFHVURJKSA-N 0 0 450.417 4.756 20 0 JJADRN COCCCn1c(Sc2ccc(C(F)(F)F)cn2)nnc1-c1ccc(OC)c(OC)c1 ZINC001458078756 1066969335 /nfs/dbraw/zinc/96/93/35/1066969335.db2.gz LHVFFGNBMLXPSH-UHFFFAOYSA-N 0 0 454.474 4.564 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458080243 1066969672 /nfs/dbraw/zinc/96/96/72/1066969672.db2.gz YOUAWOVIIOWRKL-BHIFYINESA-N 0 0 453.384 4.563 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)cc2)cc1 ZINC001545709769 1066969728 /nfs/dbraw/zinc/96/97/28/1066969728.db2.gz KUPCAIMBAZVLEE-OFNKIYASSA-N 0 0 451.544 4.708 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)cc2)cc1 ZINC001545709770 1066969836 /nfs/dbraw/zinc/96/98/36/1066969836.db2.gz KUPCAIMBAZVLEE-REWPJTCUSA-N 0 0 451.544 4.708 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2Sc2nccn(C)c2=O)cc1 ZINC001458082855 1066969956 /nfs/dbraw/zinc/96/99/56/1066969956.db2.gz DDKCGTHUZARAGA-CQSZACIVSA-N 0 0 452.967 4.798 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC001545716283 1066971114 /nfs/dbraw/zinc/97/11/14/1066971114.db2.gz MLIOMPQCQCEERP-GOTSBHOMSA-N 0 0 456.583 4.610 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(Cl)c(Br)cc1F ZINC001448931316 1066971420 /nfs/dbraw/zinc/97/14/20/1066971420.db2.gz CARCCNGWTFXWCW-CYBMUJFWSA-N 0 0 456.617 4.604 20 0 JJADRN CCOC(=O)c1nccc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1 ZINC001458088942 1066971501 /nfs/dbraw/zinc/97/15/01/1066971501.db2.gz IJDRMUINLVYYMD-UHFFFAOYSA-N 0 0 451.939 4.765 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1 ZINC001545716640 1066971374 /nfs/dbraw/zinc/97/13/74/1066971374.db2.gz WDQXXUQZAVKXHW-XMMPIXPASA-N 0 0 452.576 4.757 20 0 JJADRN COCCNc1nc(CC(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)cs1 ZINC001448935733 1066971827 /nfs/dbraw/zinc/97/18/27/1066971827.db2.gz KIJJBQIXPIGJAI-FQEVSTJZSA-N 0 0 454.434 4.584 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C[C@@H]1O ZINC001448936609 1066971880 /nfs/dbraw/zinc/97/18/80/1066971880.db2.gz RLLJQYUQHUJMMT-SFHVURJKSA-N 0 0 457.646 4.798 20 0 JJADRN COc1ccc(C2(C(=O)NCc3nc(-c4cccc(Br)c4)no3)CCCC2)cc1 ZINC001448939394 1066972289 /nfs/dbraw/zinc/97/22/89/1066972289.db2.gz VOHNYKFRYZPMPE-UHFFFAOYSA-N 0 0 456.340 4.636 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC001545717195 1066972152 /nfs/dbraw/zinc/97/21/52/1066972152.db2.gz HLHIJJBZCLSJAY-TUNNFDKTSA-N 0 0 452.672 4.857 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CCSC)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545717499 1066972279 /nfs/dbraw/zinc/97/22/79/1066972279.db2.gz MJRDUJSTUBAZEJ-UYAOXDASSA-N 0 0 455.676 4.793 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@@H]1CCC2(C1)OCCO2)c1ccccc1 ZINC001545717929 1066972320 /nfs/dbraw/zinc/97/23/20/1066972320.db2.gz USXPDXCQECZLSG-TUNNFDKTSA-N 0 0 458.672 4.941 20 0 JJADRN O=C(NC[C@H](CCO)c1ccccc1)c1ccccc1OCc1ccc(Br)cc1 ZINC001545718463 1066972739 /nfs/dbraw/zinc/97/27/39/1066972739.db2.gz HVJKRPYZLJTNJE-FQEVSTJZSA-N 0 0 454.364 4.924 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC1CCCC1)c1ccccc1 ZINC001545719172 1066973043 /nfs/dbraw/zinc/97/30/43/1066973043.db2.gz BWFQCFFKWWQMIA-DEOSSOPVSA-N 0 0 453.675 4.805 20 0 JJADRN O=C(NCc1ccc(-c2nnco2)cc1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001448961492 1066973562 /nfs/dbraw/zinc/97/35/62/1066973562.db2.gz KHQDCRNFEXADFD-UHFFFAOYSA-N 0 0 451.280 4.616 20 0 JJADRN O=C(c1cnc(-c2cccc(Cl)c2)s1)N(CCO)Cc1ccc(Br)s1 ZINC001448962214 1066973661 /nfs/dbraw/zinc/97/36/61/1066973661.db2.gz DTUHBYQPZFASLY-UHFFFAOYSA-N 0 0 457.802 4.922 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545719784 1066973557 /nfs/dbraw/zinc/97/35/57/1066973557.db2.gz MBSAMHVNVLPVCK-DLBZAZTESA-N 0 0 465.545 4.763 20 0 JJADRN CCOc1cc(CN(C)c2ccc(F)cc2S(=O)(=O)C(F)(F)F)ccc1OC(F)F ZINC001458095502 1066973565 /nfs/dbraw/zinc/97/35/65/1066973565.db2.gz UIPXKCOEBVAZOC-UHFFFAOYSA-N 0 0 457.392 4.756 20 0 JJADRN CC(C)c1c(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)cnn1-c1ccccc1 ZINC001448963655 1066973992 /nfs/dbraw/zinc/97/39/92/1066973992.db2.gz PQWPYDITRUFNQG-UHFFFAOYSA-N 0 0 451.328 4.591 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545719932 1066974047 /nfs/dbraw/zinc/97/40/47/1066974047.db2.gz ORQJPCPFROAHJM-ADHNFCLRSA-N 0 0 483.657 4.691 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC001458096908 1066974164 /nfs/dbraw/zinc/97/41/64/1066974164.db2.gz QUIMXTNYJFGUJQ-UHFFFAOYSA-N 0 0 454.979 4.557 20 0 JJADRN C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458097176 1066974190 /nfs/dbraw/zinc/97/41/90/1066974190.db2.gz VLDWHQWXCRGCDG-CQSZACIVSA-N 0 0 450.457 4.655 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCOC(C)(C)C)c1ccccc1 ZINC001545720256 1066974321 /nfs/dbraw/zinc/97/43/21/1066974321.db2.gz UBXVYSLUOTZFMQ-IFMALSPDSA-N 0 0 450.631 4.882 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC001448968322 1066974360 /nfs/dbraw/zinc/97/43/60/1066974360.db2.gz GRZAWNNMWUAEJX-FQEVSTJZSA-N 0 0 454.958 4.735 20 0 JJADRN O=C(NCCOCC(F)(F)C(F)F)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC001448971168 1066974493 /nfs/dbraw/zinc/97/44/93/1066974493.db2.gz ZIYRIUXWOISVSB-UHFFFAOYSA-N 0 0 455.839 4.840 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c(F)c1 ZINC001458097973 1066974565 /nfs/dbraw/zinc/97/45/65/1066974565.db2.gz WVYJIEGTJUZDQY-UHFFFAOYSA-N 0 0 450.392 4.633 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCC3(C)Cc4ccccc4C3)cc2Br)on1 ZINC001458097925 1066974670 /nfs/dbraw/zinc/97/46/70/1066974670.db2.gz WVXPJSQLWREJRL-UHFFFAOYSA-N 0 0 455.352 4.859 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545720396 1066974827 /nfs/dbraw/zinc/97/48/27/1066974827.db2.gz WHKOHCKGPICYRF-OUZJGAADSA-N 0 0 481.685 4.645 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545720465 1066974848 /nfs/dbraw/zinc/97/48/48/1066974848.db2.gz XNMLVMZMSPHNRS-MZYLBHOOSA-N 0 0 469.674 4.766 20 0 JJADRN COc1cc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)cc(NC(C)=O)c1OC ZINC001458101348 1066975352 /nfs/dbraw/zinc/97/53/52/1066975352.db2.gz DPLWHXXJGBEDHF-DWXRJYCRSA-N 0 0 458.558 4.881 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)cc1 ZINC001458100301 1066975373 /nfs/dbraw/zinc/97/53/73/1066975373.db2.gz BFYMJBLJOSOTNZ-GOSISDBHSA-N 0 0 458.454 4.507 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2Cc2cc(Br)ccc2OC)CCO1 ZINC001546097005 1066975506 /nfs/dbraw/zinc/97/55/06/1066975506.db2.gz ADBOHAXBKRMKAS-HSZRJFAPSA-N 0 0 477.447 4.836 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cscn1)c1ccccc1 ZINC001546010896 1066975709 /nfs/dbraw/zinc/97/57/09/1066975709.db2.gz URZFNNNQBCSYLZ-QGZVFWFLSA-N 0 0 466.636 4.556 20 0 JJADRN COC(=O)[C@H](CNC(=O)CCCSc1ccc(Br)cc1)c1ccc(F)cc1 ZINC001448992660 1066975800 /nfs/dbraw/zinc/97/58/00/1066975800.db2.gz NUNWQISRJGYRSP-GOSISDBHSA-N 0 0 454.361 4.534 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnn(C)c2)n1Cc1cccnc1OCC(F)(F)F)c1ccccc1 ZINC001545721597 1066976048 /nfs/dbraw/zinc/97/60/48/1066976048.db2.gz CNDCRGMYZOGRFK-NRFANRHFSA-N 0 0 499.541 4.574 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCO[C@@H]1C(C)C)c1ccccc1 ZINC001545721679 1066976082 /nfs/dbraw/zinc/97/60/82/1066976082.db2.gz DWSODRYSIIGHGE-QPTUXGOLSA-N 0 0 450.631 4.559 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001458102901 1066976075 /nfs/dbraw/zinc/97/60/75/1066976075.db2.gz OFWFTNQNHAXJIT-ZBFHGGJFSA-N 0 0 456.377 4.702 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1C ZINC001448996291 1066976254 /nfs/dbraw/zinc/97/62/54/1066976254.db2.gz ZPLREGOVXBINHP-LJQANCHMSA-N 0 0 454.571 4.601 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721676 1066976159 /nfs/dbraw/zinc/97/61/59/1066976159.db2.gz DVGJUNBTMQSIMZ-UYAOXDASSA-N 0 0 478.670 4.911 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2CCC(=O)Nc2cccc(Cl)c2C)CCO1 ZINC001546097023 1066976644 /nfs/dbraw/zinc/97/66/44/1066976644.db2.gz ANDMNYVIFGQOPY-DEOSSOPVSA-N 0 0 488.057 4.926 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)Nc1cccc(C2OCCO2)c1 ZINC001449002271 1066976543 /nfs/dbraw/zinc/97/65/43/1066976543.db2.gz QWQPOONQGLSHEG-FQEVSTJZSA-N 0 0 452.507 4.553 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)Nc1cccc(C2OCCO2)c1 ZINC001449002275 1066976700 /nfs/dbraw/zinc/97/67/00/1066976700.db2.gz QWQPOONQGLSHEG-HXUWFJFHSA-N 0 0 452.507 4.553 20 0 JJADRN COc1cc2c(cc1CNC(=O)C[C@@H]1c3ccccc3CN1C(=O)OC(C)(C)C)O[C@H](C)C2 ZINC001458104923 1066976918 /nfs/dbraw/zinc/97/69/18/1066976918.db2.gz OCIMMVUBZOVKCO-IIBYNOLFSA-N 0 0 452.551 4.517 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458104576 1066976932 /nfs/dbraw/zinc/97/69/32/1066976932.db2.gz KZGXDUDSOZUUGD-QVKFZJNVSA-N 0 0 453.457 4.649 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccccc1 ZINC001545722032 1066976988 /nfs/dbraw/zinc/97/69/88/1066976988.db2.gz MEEFUHJQGMPINW-URXFXBBRSA-N 0 0 462.642 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449019931 1066977229 /nfs/dbraw/zinc/97/72/29/1066977229.db2.gz DSNJVGQRIQODLL-BVGZXTNQSA-N 0 0 468.425 4.772 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458109396 1066978174 /nfs/dbraw/zinc/97/81/74/1066978174.db2.gz WMZGHMQTILMVOC-ACJLOTCBSA-N 0 0 453.764 4.553 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)Cc2ccc(OCc3ccccn3)cc2)C(F)(F)F)cc1 ZINC001458109247 1066978274 /nfs/dbraw/zinc/97/82/74/1066978274.db2.gz VZLKGNHIKNCXFD-QFIPXVFZSA-N 0 0 459.420 4.837 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnc2cc(F)c(F)cc2c1O ZINC001449030676 1066978341 /nfs/dbraw/zinc/97/83/41/1066978341.db2.gz SVKANEMFUKUYEK-GFCCVEGCSA-N 0 0 452.288 4.512 20 0 JJADRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449039096 1066978688 /nfs/dbraw/zinc/97/86/88/1066978688.db2.gz DZHSNQUXMQSBQK-GOSISDBHSA-N 0 0 458.521 4.599 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1OCC ZINC001449043113 1066979130 /nfs/dbraw/zinc/97/91/30/1066979130.db2.gz MHIYPYSJLSCABO-UHFFFAOYSA-N 0 0 459.970 4.611 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@](C)(Cc3ccccc3)[C@@H](C)O)c2)n1 ZINC001449042824 1066979143 /nfs/dbraw/zinc/97/91/43/1066979143.db2.gz KGTLEUZMEDAOOC-CJAUYULYSA-N 0 0 452.986 4.850 20 0 JJADRN CCn1c(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)nc2cc(Br)ccc21 ZINC001449040978 1066979185 /nfs/dbraw/zinc/97/91/85/1066979185.db2.gz FVBMCCCPHFYPMQ-UHFFFAOYSA-N 0 0 454.368 4.587 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC001458114570 1066979971 /nfs/dbraw/zinc/97/99/71/1066979971.db2.gz DRNMSUGCYHPREZ-INIZCTEOSA-N 0 0 451.564 4.848 20 0 JJADRN CC(C)CCn1ncc(NC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)c1C(C)C ZINC001449058588 1066980378 /nfs/dbraw/zinc/98/03/78/1066980378.db2.gz ZKFSDFKEMBFBPH-QGZVFWFLSA-N 0 0 458.607 4.861 20 0 JJADRN COc1ccccc1OCC(=O)Nc1cccc(Nc2ccnc(Cc3ccc(F)cc3)n2)c1 ZINC001458116006 1066980274 /nfs/dbraw/zinc/98/02/74/1066980274.db2.gz PCIVVTSNABWUCD-UHFFFAOYSA-N 0 0 458.493 4.976 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001545724101 1066980518 /nfs/dbraw/zinc/98/05/18/1066980518.db2.gz LWSBQSMBRSGVRI-INIZCTEOSA-N 0 0 490.559 4.601 20 0 JJADRN O=C(NCC(=O)N(Cc1cccc(Br)c1)CC1CC1)Nc1cccc(Cl)c1 ZINC001449067363 1066980680 /nfs/dbraw/zinc/98/06/80/1066980680.db2.gz YMOCHTVVMLOBBG-UHFFFAOYSA-N 0 0 450.764 4.663 20 0 JJADRN O=C(NCc1ccncn1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001449063954 1066980746 /nfs/dbraw/zinc/98/07/46/1066980746.db2.gz DBVWLYCQXRIUCD-UHFFFAOYSA-N 0 0 451.602 4.676 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001449063768 1066980844 /nfs/dbraw/zinc/98/08/44/1066980844.db2.gz QPLKASLPTZSTPQ-UHFFFAOYSA-N 0 0 454.777 4.843 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545724387 1066980766 /nfs/dbraw/zinc/98/07/66/1066980766.db2.gz PSBAOFZPFAWAIC-XUZZJYLKSA-N 0 0 494.709 4.947 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545724315 1066980887 /nfs/dbraw/zinc/98/08/87/1066980887.db2.gz OYLVCAWIVFGSCG-VXKWHMMOSA-N 0 0 482.629 4.994 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC001458120339 1066980971 /nfs/dbraw/zinc/98/09/71/1066980971.db2.gz BKWHKFDXKHMDDC-UHFFFAOYSA-N 0 0 454.368 4.528 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545724595 1066981103 /nfs/dbraw/zinc/98/11/03/1066981103.db2.gz SVVFSRZOFKOBFB-CLOONOSVSA-N 0 0 471.049 4.785 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc(C(C)(C)C)c1O ZINC001449073582 1066981225 /nfs/dbraw/zinc/98/12/25/1066981225.db2.gz KQMDBGQVNRSSRI-OAQYLSRUSA-N 0 0 459.030 4.786 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCCc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 ZINC001458121824 1066981588 /nfs/dbraw/zinc/98/15/88/1066981588.db2.gz HWILVQBKNCWFSM-SFHVURJKSA-N 0 0 458.183 4.682 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Br)s3)sc2C1 ZINC001449084877 1066981665 /nfs/dbraw/zinc/98/16/65/1066981665.db2.gz MZHHABMMSBMQPH-VIFPVBQESA-N 0 0 458.403 4.601 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cc(C)on2)n1CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC001545724764 1066981728 /nfs/dbraw/zinc/98/17/28/1066981728.db2.gz WPWCMQKUXSBOIZ-QHCPKHFHSA-N 0 0 464.614 4.544 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCCc2cc(Cl)ccc2Br)cc1 ZINC001458122509 1066981958 /nfs/dbraw/zinc/98/19/58/1066981958.db2.gz 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Cc1cc(I)cc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)c1 ZINC001449099871 1066982287 /nfs/dbraw/zinc/98/22/87/1066982287.db2.gz PBRGGPSTONICNW-LJQANCHMSA-N 0 0 452.311 4.732 20 0 JJADRN CC(C)Cn1nc(C(=O)NCC(C)(C)c2ccccc2Br)c2ccccc2c1=O ZINC001458123851 1066982360 /nfs/dbraw/zinc/98/23/60/1066982360.db2.gz ORWSRDPVQLWGKM-UHFFFAOYSA-N 0 0 456.384 4.523 20 0 JJADRN COC(=O)c1cnc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1C(F)(F)F ZINC001458123328 1066982461 /nfs/dbraw/zinc/98/24/61/1066982461.db2.gz OLYWZJABBAEUGZ-LBPRGKRZSA-N 0 0 458.278 4.588 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H]2CCCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001545725695 1066982481 /nfs/dbraw/zinc/98/24/81/1066982481.db2.gz AUDVTUXZTODHQO-PKTZIBPZSA-N 0 0 483.657 4.835 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCCc2ccccc2OC(F)(F)F)cs1 ZINC001545725520 1066982493 /nfs/dbraw/zinc/98/24/93/1066982493.db2.gz WAKQVTNKQQLREU-LBPRGKRZSA-N 0 0 459.490 4.600 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)[nH]n1 ZINC001449102991 1066982563 /nfs/dbraw/zinc/98/25/63/1066982563.db2.gz AHTLWRXPSAHZGY-HSZRJFAPSA-N 0 0 459.468 4.626 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001458124158 1066982803 /nfs/dbraw/zinc/98/28/03/1066982803.db2.gz KDDJGLHHEHAIFK-QHCPKHFHSA-N 0 0 454.636 4.736 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)sc2C)cc1 ZINC001449108345 1066982819 /nfs/dbraw/zinc/98/28/19/1066982819.db2.gz WRHPTFWFNLJNKS-MRXNPFEDSA-N 0 0 454.514 4.795 20 0 JJADRN Cc1cc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C)n1C1CCOCC1 ZINC001449111062 1066982892 /nfs/dbraw/zinc/98/28/92/1066982892.db2.gz VYTBONLHZMUFIF-QHCPKHFHSA-N 0 0 450.501 4.607 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001449103377 1066982952 /nfs/dbraw/zinc/98/29/52/1066982952.db2.gz OAULRFSHPAEFGG-GPMSIDNRSA-N 0 0 450.649 4.580 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCS(=O)(=O)CC)n1C[C@H]1CCC2(CCCCC2)O1)c1ccccc1 ZINC001545726008 1066983031 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AVDFCEFUEAVZAR-QPPBQGQZSA-N 0 0 453.675 4.946 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cccs2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728181 1066985033 /nfs/dbraw/zinc/98/50/33/1066985033.db2.gz HFVQEGSCMUUGAY-VXKWHMMOSA-N 0 0 472.680 4.875 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCc3ccccc3)n2CCCc2ccnc(C(C)(C)C)n2)CCO1 ZINC001546097359 1066985105 /nfs/dbraw/zinc/98/51/05/1066985105.db2.gz JCRSLNMWXVBDHC-MUUNZHRXSA-N 0 0 476.669 4.789 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001449143701 1066985167 /nfs/dbraw/zinc/98/51/67/1066985167.db2.gz AFTHFXCPXOXEQP-LJQANCHMSA-N 0 0 455.356 4.515 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)Nc1cc(Br)cc(C(=O)OC)c1Cl ZINC001458133894 1066985239 /nfs/dbraw/zinc/98/52/39/1066985239.db2.gz KKRSWQZVWVBYCU-UHFFFAOYSA-N 0 0 456.720 4.939 20 0 JJADRN O=C(/C=C/C1CCCCCC1)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001449149569 1066985526 /nfs/dbraw/zinc/98/55/26/1066985526.db2.gz HOEBCYGTFANPBK-GHUONELISA-N 0 0 459.634 4.715 20 0 JJADRN CC[C@H](c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545728186 1066985445 /nfs/dbraw/zinc/98/54/45/1066985445.db2.gz HKQZLIRKMYSWHM-YJBOKZPZSA-N 0 0 477.556 4.616 20 0 JJADRN CC[C@H](c1nnc(N(Cc2cccs2)C2CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545728233 1066985640 /nfs/dbraw/zinc/98/56/40/1066985640.db2.gz ICCOYSAROLOERZ-NRFANRHFSA-N 0 0 451.640 4.823 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001458138436 1066985914 /nfs/dbraw/zinc/98/59/14/1066985914.db2.gz YTOKNITUUJKMEL-NRFANRHFSA-N 0 0 454.514 4.899 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCc3ccccc3)n2Cc2ccsc2Br)CCO1 ZINC001546097438 1066985979 /nfs/dbraw/zinc/98/59/79/1066985979.db2.gz KOERAQFPZXTTQO-QFIPXVFZSA-N 0 0 475.456 4.941 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@@H]2CC[C@H]2C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001449154580 1066985873 /nfs/dbraw/zinc/98/58/73/1066985873.db2.gz FIPNYOVQPKZRST-OXQOHEQNSA-N 0 0 454.514 4.514 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C)c1ccccc1 ZINC001545728456 1066986115 /nfs/dbraw/zinc/98/61/15/1066986115.db2.gz LPOJSHFFGBHCIU-ISJGIBHGSA-N 0 0 495.693 4.668 20 0 JJADRN CC(C)(CC(=O)Nc1c(O)cc(Br)cc1Cl)NC(=O)OCc1ccccc1 ZINC001449160968 1066986138 /nfs/dbraw/zinc/98/61/38/1066986138.db2.gz LSKCAMFVKSAIGK-UHFFFAOYSA-N 0 0 455.736 4.842 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001546011810 1066986216 /nfs/dbraw/zinc/98/62/16/1066986216.db2.gz TYQWPUDHKOPEQC-UHFFFAOYSA-N 0 0 453.380 4.585 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C2CC2)n1CCCn1cc(Br)cn1)c1ccccc1 ZINC001545728776 1066986513 /nfs/dbraw/zinc/98/65/13/1066986513.db2.gz QWYQDZAANNOORG-HXUWFJFHSA-N 0 0 457.420 4.858 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC001449163750 1066986662 /nfs/dbraw/zinc/98/66/62/1066986662.db2.gz PQUFEUPNDIYHKG-NHCUHLMSSA-N 0 0 454.592 4.656 20 0 JJADRN Cc1c(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)cnn1-c1cc(C)ccc1C ZINC001458142828 1066986855 /nfs/dbraw/zinc/98/68/55/1066986855.db2.gz OOBBOLBBZMTYQY-QFIPXVFZSA-N 0 0 450.539 4.864 20 0 JJADRN CC[C@@H](c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545729114 1066986710 /nfs/dbraw/zinc/98/67/10/1066986710.db2.gz WZLPPXQHFVVKBH-OAQYLSRUSA-N 0 0 480.625 4.659 20 0 JJADRN CC[C@@H](c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1CC(F)(F)F)c1ccccc1 ZINC001545729130 1066986777 /nfs/dbraw/zinc/98/67/77/1066986777.db2.gz XEHBYWAKODJLQJ-LJQANCHMSA-N 0 0 465.545 4.587 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545729167 1066986804 /nfs/dbraw/zinc/98/68/04/1066986804.db2.gz XSQLAUDKSFDJFA-BJKOFHAPSA-N 0 0 467.658 4.618 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(c3ccc(-c4ccc(Cl)s4)nn3)CC2)cc1 ZINC001458142543 1066986910 /nfs/dbraw/zinc/98/69/10/1066986910.db2.gz BCRBIAHEHZRVCD-UHFFFAOYSA-N 0 0 456.999 4.539 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC001545730038 1066987161 /nfs/dbraw/zinc/98/71/61/1066987161.db2.gz PPSMHUABXMUZGB-PKOBYXMFSA-N 0 0 454.542 4.822 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)Cn3c4ccccc4nc3SC(F)F)n2)cc1 ZINC001545729663 1066987245 /nfs/dbraw/zinc/98/72/45/1066987245.db2.gz IUFJSYTXRLWEQB-ZDUSSCGKSA-N 0 0 457.506 4.841 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001458144771 1066987173 /nfs/dbraw/zinc/98/71/73/1066987173.db2.gz QIMMETZPTYUJBU-HSZRJFAPSA-N 0 0 457.983 4.704 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001458143850 1066987211 /nfs/dbraw/zinc/98/72/11/1066987211.db2.gz FHOKDZBUWVOHPJ-UHFFFAOYSA-N 0 0 458.469 4.511 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1cccc(F)n1 ZINC001458143776 1066987276 /nfs/dbraw/zinc/98/72/76/1066987276.db2.gz QICURMWJKNLXLF-ZDUSSCGKSA-N 0 0 454.552 4.536 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CCC[C@H](c2ccncc2)C1)NCC1CCCCC1 ZINC001449174748 1066987356 /nfs/dbraw/zinc/98/73/56/1066987356.db2.gz IGMBEENRZWRXND-QFIPXVFZSA-N 0 0 451.636 4.890 20 0 JJADRN Cn1c(C(=O)N2CCC[C@H](c3ccncc3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449175881 1066987453 /nfs/dbraw/zinc/98/74/53/1066987453.db2.gz JJHNLMYVOXWKMM-RBBKRZOGSA-N 0 0 452.599 4.902 20 0 JJADRN Cn1c(C(=O)N2CCC[C@@H](c3ccncc3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449175869 1066987554 /nfs/dbraw/zinc/98/75/54/1066987554.db2.gz JJHNLMYVOXWKMM-IFMALSPDSA-N 0 0 452.599 4.902 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)c(Cl)cc1Cl ZINC001458145958 1066987546 /nfs/dbraw/zinc/98/75/46/1066987546.db2.gz USDXNIDOKOXFGA-UHFFFAOYSA-N 0 0 452.241 4.544 20 0 JJADRN Cn1c(C(=O)N2CCC[C@H](c3ccncc3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449175886 1066987603 /nfs/dbraw/zinc/98/76/03/1066987603.db2.gz JJHNLMYVOXWKMM-UNMCSNQZSA-N 0 0 452.599 4.902 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545730475 1066987866 /nfs/dbraw/zinc/98/78/66/1066987866.db2.gz AOJNPEYKABJDKZ-BPBCIEFSSA-N 0 0 471.646 4.594 20 0 JJADRN Cc1cc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)sc1Br ZINC001458146547 1066987877 /nfs/dbraw/zinc/98/78/77/1066987877.db2.gz XAQLGMJKGCFRFH-CYBMUJFWSA-N 0 0 454.390 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545730541 1066987962 /nfs/dbraw/zinc/98/79/62/1066987962.db2.gz BJKBPBCHOCERLZ-BPLDGKMQSA-N 0 0 497.306 4.964 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545730480 1066987970 /nfs/dbraw/zinc/98/79/70/1066987970.db2.gz APQQUSNTZBCESE-KCZVDYSFSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@H](C)COc2ccccc2OC)CCO1 ZINC001546097506 1066988324 /nfs/dbraw/zinc/98/83/24/1066988324.db2.gz LQNZLDRXUNJWRH-RXFWQSSRSA-N 0 0 456.631 4.740 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2COc3ccccc32)c1 ZINC001458150779 1066988697 /nfs/dbraw/zinc/98/86/97/1066988697.db2.gz QIHGWHDXFOWSTQ-DEOSSOPVSA-N 0 0 451.544 4.973 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001545730862 1066988849 /nfs/dbraw/zinc/98/88/49/1066988849.db2.gz HEBYLNLBIKAJJX-YCUIJWHHSA-N 0 0 484.666 4.635 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545730813 1066988886 /nfs/dbraw/zinc/98/88/86/1066988886.db2.gz GJNCDAMEDBTXML-MBOZVWFJSA-N 0 0 456.685 4.943 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@H](C)CC)cc2nc1CC ZINC001458152130 1066989136 /nfs/dbraw/zinc/98/91/36/1066989136.db2.gz GHFOLHJEFWXAGQ-XHCCPWGMSA-N 0 0 459.638 4.831 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545730933 1066989143 /nfs/dbraw/zinc/98/91/43/1066989143.db2.gz IAODVJMKCWSLSE-PMOQBDJRSA-N 0 0 481.666 4.620 20 0 JJADRN CC[C@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545731031 1066989154 /nfs/dbraw/zinc/98/91/54/1066989154.db2.gz JDHCSIJQSMULJE-HKUYNNGSSA-N 0 0 488.558 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545731015 1066989278 /nfs/dbraw/zinc/98/92/78/1066989278.db2.gz IWOLBLCFYVUXST-JQXZYWDBSA-N 0 0 466.626 4.941 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccnc1)c1ccccc1 ZINC001545730942 1066989289 /nfs/dbraw/zinc/98/92/89/1066989289.db2.gz ICKOZBQCOZKKHX-HUVFLSCGSA-N 0 0 490.652 4.807 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151377 1066989342 /nfs/dbraw/zinc/98/93/42/1066989342.db2.gz DQNYYODBRDRMFM-IERDGZPVSA-N 0 0 451.945 4.931 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2cccc(Cl)c2)cc1 ZINC001458153217 1066989615 /nfs/dbraw/zinc/98/96/15/1066989615.db2.gz FGAKVSZEOLQICA-QHCPKHFHSA-N 0 0 457.979 4.970 20 0 JJADRN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)c1c(Cl)cccc1Cl ZINC001458153225 1066989668 /nfs/dbraw/zinc/98/96/68/1066989668.db2.gz FGMVGIMOCZZEFZ-QHCPKHFHSA-N 0 0 456.329 4.577 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153643 1066989738 /nfs/dbraw/zinc/98/97/38/1066989738.db2.gz KCAUBXKQVHGFPI-RLWLMLJZSA-N 0 0 458.606 4.737 20 0 JJADRN CCN(CC(=O)NCCCc1cccc(C)n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449213563 1066989754 /nfs/dbraw/zinc/98/97/54/1066989754.db2.gz JIYNXRBBVMVECB-UHFFFAOYSA-N 0 0 457.574 4.710 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153639 1066989822 /nfs/dbraw/zinc/98/98/22/1066989822.db2.gz KCAUBXKQVHGFPI-HFZDXXHNSA-N 0 0 458.606 4.737 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(Cl)cc(C(=O)OC)c1O ZINC001449217173 1066990151 /nfs/dbraw/zinc/99/01/51/1066990151.db2.gz KUOPXHLSWQCIFS-UHFFFAOYSA-N 0 0 456.911 4.578 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](N3CCOCC3)[C@@H](CC)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731300 1066990650 /nfs/dbraw/zinc/99/06/50/1066990650.db2.gz MPNISWYTMLSFKA-NNWRFLSQSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155705 1066990715 /nfs/dbraw/zinc/99/07/15/1066990715.db2.gz RDLBXPOKSHERPT-JPYJTQIMSA-N 0 0 459.034 4.846 20 0 JJADRN O=C(NCc1cccc(OCc2ccccc2)c1)c1nc2ccc(Br)cn2c1F ZINC001449226297 1066990899 /nfs/dbraw/zinc/99/08/99/1066990899.db2.gz PDWLEQPZELYHRS-UHFFFAOYSA-N 0 0 454.299 4.745 20 0 JJADRN CCN(CCOC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001449223604 1066990912 /nfs/dbraw/zinc/99/09/12/1066990912.db2.gz JCYOMHXFYKNPMM-SANMLTNESA-N 0 0 458.558 4.761 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC001449227247 1066990956 /nfs/dbraw/zinc/99/09/56/1066990956.db2.gz DVIVAVOKKSZIIK-UHFFFAOYSA-N 0 0 452.869 4.817 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545731548 1066991600 /nfs/dbraw/zinc/99/16/00/1066991600.db2.gz PWQNHFVWQIPPIB-NKKJXINNSA-N 0 0 493.652 4.681 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCSCC(C)C)c1ccccc1 ZINC001545731676 1066991676 /nfs/dbraw/zinc/99/16/76/1066991676.db2.gz RHCMEMQKTNWGAD-HNVPCBRESA-N 0 0 472.699 4.984 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2OC)c2ccccc2OC)cc1 ZINC001458157442 1066991715 /nfs/dbraw/zinc/99/17/15/1066991715.db2.gz WWHCVCAXULRJBK-JOCHJYFZSA-N 0 0 456.336 4.994 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)c1ccccc1 ZINC001545731832 1066992095 /nfs/dbraw/zinc/99/20/95/1066992095.db2.gz SXBPSWXJSFQRIB-UXLLHSPISA-N 0 0 496.965 4.888 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546097581 1066992204 /nfs/dbraw/zinc/99/22/04/1066992204.db2.gz MUADWNPHVKICJI-SVBPBHIXSA-N 0 0 454.659 4.790 20 0 JJADRN CC[C@@H](CSc1ccccc1)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC001458158346 1066992271 /nfs/dbraw/zinc/99/22/71/1066992271.db2.gz HQZAYNFBDTYXME-CSKUQDPHSA-N 0 0 459.656 4.591 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545731883 1066992176 /nfs/dbraw/zinc/99/21/76/1066992176.db2.gz UPWYEJYNZIYPRA-XMSQKQJNSA-N 0 0 484.588 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001449236753 1066992264 /nfs/dbraw/zinc/99/22/64/1066992264.db2.gz IFQADFYUNGAOJV-LJQANCHMSA-N 0 0 459.414 4.960 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC001449252409 1066993007 /nfs/dbraw/zinc/99/30/07/1066993007.db2.gz SGAJLTMXFUNVJS-BDTNDASRSA-N 0 0 455.599 4.700 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)CC2)c1 ZINC001458160857 1066993196 /nfs/dbraw/zinc/99/31/96/1066993196.db2.gz GWGQAVCOOSLWQF-FPCVHMJOSA-N 0 0 455.643 4.672 20 0 JJADRN COCCN1C[C@H](C(=O)N[C@H](CC2CCCC2)c2ccc(Oc3ccccc3)cc2)CC1=O ZINC001458161256 1066993208 /nfs/dbraw/zinc/99/32/08/1066993208.db2.gz LOFVAVFSYDLYRR-RCZVLFRGSA-N 0 0 450.579 4.711 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545732015 1066993232 /nfs/dbraw/zinc/99/32/32/1066993232.db2.gz WJMMCAXANCYJGE-UAAMJZOTSA-N 0 0 483.657 4.594 20 0 JJADRN CCN(c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)cc1)C(C)C ZINC001458165478 1066993528 /nfs/dbraw/zinc/99/35/28/1066993528.db2.gz AHSAUGKFCMHQBF-KBXCAEBGSA-N 0 0 450.461 4.845 20 0 JJADRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001458164374 1066993614 /nfs/dbraw/zinc/99/36/14/1066993614.db2.gz JGPWZCZFOAEMJK-OAHLLOKOSA-N 0 0 456.999 4.521 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC1(SC)CCOCC1)c1ccccc1 ZINC001545732268 1066993683 /nfs/dbraw/zinc/99/36/83/1066993683.db2.gz ZSVJCJFWHLFSIR-LEWJYISDSA-N 0 0 458.672 4.593 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)OC ZINC001546012523 1066993808 /nfs/dbraw/zinc/99/38/08/1066993808.db2.gz KGEKBUJNDXNMAL-JNAXZKDPSA-N 0 0 469.413 4.593 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545732173 1066993786 /nfs/dbraw/zinc/99/37/86/1066993786.db2.gz YRFMPMQLKCSGGF-IPELMVKDSA-N 0 0 494.587 4.769 20 0 JJADRN CC(C)[C@@H](OC(=O)c1nn(C)cc1I)c1ccc(C(F)(F)F)cc1 ZINC001458166756 1066993921 /nfs/dbraw/zinc/99/39/21/1066993921.db2.gz DNVOOPSQBCSQAG-CQSZACIVSA-N 0 0 452.214 4.598 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001545732462 1066993995 /nfs/dbraw/zinc/99/39/95/1066993995.db2.gz FCULZMFQGJYDTG-HUUCEWRRSA-N 0 0 455.393 4.532 20 0 JJADRN Cc1cc(CCC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001545732362 1066994002 /nfs/dbraw/zinc/99/40/02/1066994002.db2.gz BNQHKKROIHOBQA-SJLPKXTDSA-N 0 0 453.421 4.842 20 0 JJADRN O=C(c1cn2ccc(Br)cc2n1)N(Cc1csc(Br)c1)C1CC1 ZINC001458167326 1066994306 /nfs/dbraw/zinc/99/43/06/1066994306.db2.gz WFQVMUULXBICPY-UHFFFAOYSA-N 0 0 455.175 4.726 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001545733156 1066994429 /nfs/dbraw/zinc/99/44/29/1066994429.db2.gz VGBZITHZIMPSLI-UONOGXRCSA-N 0 0 451.539 4.854 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC001449274766 1066994929 /nfs/dbraw/zinc/99/49/29/1066994929.db2.gz IOGMGYLDATVHQQ-FQEVSTJZSA-N 0 0 455.942 4.666 20 0 JJADRN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001458172249 1066995596 /nfs/dbraw/zinc/99/55/96/1066995596.db2.gz NTWIVRKICQKEPI-UHFFFAOYSA-N 0 0 455.318 4.902 20 0 JJADRN CCCN(CCc1cccc(F)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC001458171226 1066995611 /nfs/dbraw/zinc/99/56/11/1066995611.db2.gz JTRWGITVVHENSD-UHFFFAOYSA-N 0 0 454.855 4.898 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCc1cccnc1)c1ccccc1 ZINC001545733720 1066995602 /nfs/dbraw/zinc/99/56/02/1066995602.db2.gz GQBKRLDSSZMOJL-NRFANRHFSA-N 0 0 471.527 4.806 20 0 JJADRN CC[C@@H](C)[C@@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001545733655 1066995664 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ZINC001458210183 1067003545 /nfs/dbraw/zinc/00/35/45/1067003545.db2.gz CXZBJXJVEVUYKL-UHFFFAOYSA-N 0 0 454.408 4.920 20 0 JJADRN O=C(Cc1ccccc1I)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001458210054 1067003617 /nfs/dbraw/zinc/00/36/17/1067003617.db2.gz NQAALQPEYDFPAC-OAHLLOKOSA-N 0 0 455.164 4.532 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cn3cncn3)CC2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545738761 1067003675 /nfs/dbraw/zinc/00/36/75/1067003675.db2.gz NZDMGEBKFNYJGR-IBGZPJMESA-N 0 0 479.576 4.581 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N(Cc3ccccc3)C[C@@H](O)c3ccccc3)n2)ccc1F ZINC001449361180 1067003732 /nfs/dbraw/zinc/00/37/32/1067003732.db2.gz XJVFNECWKYDLBH-XMMPIXPASA-N 0 0 459.521 4.879 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)CCO1 ZINC001546098047 1067003802 /nfs/dbraw/zinc/00/38/02/1067003802.db2.gz VVEJRSHKTBPUGM-HSZRJFAPSA-N 0 0 452.521 4.805 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545738931 1067003903 /nfs/dbraw/zinc/00/39/03/1067003903.db2.gz QIVRUVSERVOVRT-FYYLOGMGSA-N 0 0 463.626 4.913 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)c(=O)oc2c1 ZINC001458213085 1067004139 /nfs/dbraw/zinc/00/41/39/1067004139.db2.gz ZNBVNODHHFUFTB-FQEVSTJZSA-N 0 0 455.379 4.741 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)c(=O)oc2c1 ZINC001458213092 1067004216 /nfs/dbraw/zinc/00/42/16/1067004216.db2.gz ZNBVNODHHFUFTB-HXUWFJFHSA-N 0 0 455.379 4.741 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)CN1CCOCC1)c1ccccc1 ZINC001545739058 1067004491 /nfs/dbraw/zinc/00/44/91/1067004491.db2.gz SDQGSZYFTYCJCZ-REWPJTCUSA-N 0 0 493.618 4.957 20 0 JJADRN CC(C)(C)n1cnc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)n1 ZINC001458213541 1067004554 /nfs/dbraw/zinc/00/45/54/1067004554.db2.gz CWCCNZRXSLRNEG-UHFFFAOYSA-N 0 0 451.328 4.658 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CO)CC2)n1CCCc1ccnc(C(C)(C)C)n1)c1ccccc1 ZINC001545739331 1067004637 /nfs/dbraw/zinc/00/46/37/1067004637.db2.gz YFTFNECHABHYNT-DEOSSOPVSA-N 0 0 476.669 4.749 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545739282 1067004788 /nfs/dbraw/zinc/00/47/88/1067004788.db2.gz XJYDZSHPZAGJGW-HQNXYIODSA-N 0 0 481.685 4.896 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)CC3)CC2)cc1Cl ZINC001449366610 1067004798 /nfs/dbraw/zinc/00/47/98/1067004798.db2.gz ZVUAOVQBJZDXED-KDURUIRLSA-N 0 0 450.023 4.635 20 0 JJADRN C[C@H](Nc1ncnc2ccc(I)cc21)[C@H](O)c1c(F)cccc1Cl ZINC001458214282 1067004971 /nfs/dbraw/zinc/00/49/71/1067004971.db2.gz YEZJALCXSCFEFR-FVMDXXJSSA-N 0 0 457.674 4.561 20 0 JJADRN Cc1sc(Br)c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1C ZINC001458215526 1067004979 /nfs/dbraw/zinc/00/49/79/1067004979.db2.gz VNZYYAIQMIDDEB-KKUMJFAQSA-N 0 0 457.434 4.893 20 0 JJADRN O=C(CCCC(=O)N(CCn1ccnc1)Cc1ccccc1Br)c1ccccc1 ZINC001449366409 1067004925 /nfs/dbraw/zinc/00/49/25/1067004925.db2.gz DALGMKPTIOBODX-UHFFFAOYSA-N 0 0 454.368 4.728 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739395 1067005012 /nfs/dbraw/zinc/00/50/12/1067005012.db2.gz ZHASCVZCJAQQAA-PMACEKPBSA-N 0 0 492.546 4.863 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545739398 1067005029 /nfs/dbraw/zinc/00/50/29/1067005029.db2.gz ZHASCVZCJAQQAA-WOJBJXKFSA-N 0 0 492.546 4.863 20 0 JJADRN Cc1sc(Br)c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1C ZINC001458215528 1067004987 /nfs/dbraw/zinc/00/49/87/1067004987.db2.gz VNZYYAIQMIDDEB-RRFJBIMHSA-N 0 0 457.434 4.893 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC(C)(C)COC)c1ccccc1 ZINC001545739374 1067005167 /nfs/dbraw/zinc/00/51/67/1067005167.db2.gz YYPIKURRDNTGFZ-QHCPKHFHSA-N 0 0 450.631 4.610 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1cccc(Br)c1 ZINC001458216627 1067005227 /nfs/dbraw/zinc/00/52/27/1067005227.db2.gz QZVWYNSVFOMVAN-QGZVFWFLSA-N 0 0 451.748 4.799 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001458216249 1067005260 /nfs/dbraw/zinc/00/52/60/1067005260.db2.gz ZNLYLVPKBJTDLN-LNMJFAINSA-N 0 0 456.505 4.625 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1nccs1 ZINC001458216737 1067005280 /nfs/dbraw/zinc/00/52/80/1067005280.db2.gz RFANLOJUQINGPG-BBRMVZONSA-N 0 0 457.518 4.990 20 0 JJADRN COc1c(NC(=O)c2c[nH]c3cccc(Br)c32)cc(Cl)cc1C(=O)N(C)C ZINC001449375589 1067005306 /nfs/dbraw/zinc/00/53/06/1067005306.db2.gz PPQIBRLTALIWQM-UHFFFAOYSA-N 0 0 450.720 4.547 20 0 JJADRN CC[C@@]1(C)CCN(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 ZINC001545739730 1067005373 /nfs/dbraw/zinc/00/53/73/1067005373.db2.gz HJJUVSFRZKQXGQ-VWLOTQADSA-N 0 0 450.608 4.895 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001545739808 1067005522 /nfs/dbraw/zinc/00/55/22/1067005522.db2.gz JNOVSXRLKHFNMD-NHCUHLMSSA-N 0 0 459.631 4.501 20 0 JJADRN CC[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(OC)c(OC)c1 ZINC001449376856 1067005455 /nfs/dbraw/zinc/00/54/55/1067005455.db2.gz ZQXZXPUEFIWQPO-OAQYLSRUSA-N 0 0 454.567 4.878 20 0 JJADRN COc1c(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc(Cl)cc1C(=O)N(C)C ZINC001449377181 1067005478 /nfs/dbraw/zinc/00/54/78/1067005478.db2.gz URUBLOKSLBTLKF-OAHLLOKOSA-N 0 0 453.926 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458217648 1067005541 /nfs/dbraw/zinc/00/55/41/1067005541.db2.gz JIOKETOIXIFENK-IAGOWNOFSA-N 0 0 452.477 4.913 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001458217329 1067005596 /nfs/dbraw/zinc/00/55/96/1067005596.db2.gz YNMMAJUYWPKHFH-YOQIAEIOSA-N 0 0 453.377 4.597 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(-c3ccc(C)cc3)n2)cc1 ZINC001449384535 1067005642 /nfs/dbraw/zinc/00/56/42/1067005642.db2.gz DKYXBFWQFWPDGN-GMAHTHKFSA-N 0 0 459.512 4.893 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H](Nc2nc3ccccc3nc2F)c2ccccc2)c(C)c1 ZINC001458217831 1067005798 /nfs/dbraw/zinc/00/57/98/1067005798.db2.gz BSRMSYBQBCORKA-NRFANRHFSA-N 0 0 450.539 4.517 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1cccc(Br)c1 ZINC001458218663 1067005855 /nfs/dbraw/zinc/00/58/55/1067005855.db2.gz ZFRNZESLOPHUKC-MRXNPFEDSA-N 0 0 455.146 4.636 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c(F)c1 ZINC001458218393 1067005953 /nfs/dbraw/zinc/00/59/53/1067005953.db2.gz AQJSTNCSQPZVDZ-NRFANRHFSA-N 0 0 456.308 4.936 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001449393562 1067005965 /nfs/dbraw/zinc/00/59/65/1067005965.db2.gz RHGTWVDCKASZBJ-MJGOQNOKSA-N 0 0 450.913 4.904 20 0 JJADRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001449388344 1067005979 /nfs/dbraw/zinc/00/59/79/1067005979.db2.gz JEQYZRRZHLJKGU-LJQANCHMSA-N 0 0 450.539 4.870 20 0 JJADRN CC(C)(C)Oc1c(F)cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1F ZINC001458219793 1067006168 /nfs/dbraw/zinc/00/61/68/1067006168.db2.gz DHZJNIQQTQVLHG-UHFFFAOYSA-N 0 0 452.523 4.569 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N3CCCCC3=O)CC2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545740771 1067006271 /nfs/dbraw/zinc/00/62/71/1067006271.db2.gz CZOSUVYBANPFIO-FTBPSBKWSA-N 0 0 481.685 4.862 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)s1 ZINC001449396031 1067006394 /nfs/dbraw/zinc/00/63/94/1067006394.db2.gz IQEBFSJSDQXGSX-UHFFFAOYSA-N 0 0 456.540 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545740916 1067006637 /nfs/dbraw/zinc/00/66/37/1067006637.db2.gz GLDRKLJMZWZSLY-SKBVVQJISA-N 0 0 481.685 4.718 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545740840 1067006650 /nfs/dbraw/zinc/00/66/50/1067006650.db2.gz FCWMLNRPRALBRK-YPIGPJMWSA-N 0 0 483.657 4.691 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccoc1)c1ccccc1 ZINC001545740929 1067006660 /nfs/dbraw/zinc/00/66/60/1067006660.db2.gz GPHNAAWYKRMMGJ-VXKWHMMOSA-N 0 0 465.598 4.907 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1(OC)CCCC1)c1ccccc1 ZINC001545740988 1067006816 /nfs/dbraw/zinc/00/68/16/1067006816.db2.gz HQSUCJZBYNTLRX-VXKWHMMOSA-N 0 0 483.657 4.883 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(F)(F)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545740948 1067006907 /nfs/dbraw/zinc/00/69/07/1067006907.db2.gz GZSHELACOSKQMO-PKOBYXMFSA-N 0 0 471.518 4.940 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCCCCc2ccc(Cl)s2)cc1OC ZINC001449404307 1067007185 /nfs/dbraw/zinc/00/71/85/1067007185.db2.gz LYJHQBXYYSUMEQ-DZGCQCFKSA-N 0 0 450.988 4.766 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545741046 1067007210 /nfs/dbraw/zinc/00/72/10/1067007210.db2.gz IULCOOXDORWGHA-JPYHZWLXSA-N 0 0 481.685 4.909 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001458227337 1067007787 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CC[C@@H](Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014944 1067012456 /nfs/dbraw/zinc/01/24/56/1067012456.db2.gz QOVUKVHOHGEPOU-OALUTQOASA-N 0 0 471.646 4.881 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)ccc1Sc1ccccc1 ZINC001458252466 1067012593 /nfs/dbraw/zinc/01/25/93/1067012593.db2.gz KFJJPTZWTYMONE-XMMPIXPASA-N 0 0 459.564 4.700 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc2c(c1)nc(C)n2[C@H](C)CO ZINC001449516860 1067012690 /nfs/dbraw/zinc/01/26/90/1067012690.db2.gz XAUFRESQVQRKEZ-CQSZACIVSA-N 0 0 451.958 4.535 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001449518887 1067012711 /nfs/dbraw/zinc/01/27/11/1067012711.db2.gz BJLRDTYFCQXXCT-UHFFFAOYSA-N 0 0 459.775 4.836 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545745782 1067012780 /nfs/dbraw/zinc/01/27/80/1067012780.db2.gz GPSCBSKSTYBHKE-XKCSPQBFSA-N 0 0 465.667 4.723 20 0 JJADRN 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CC(C)N1C(=O)C[C@H](NC(=O)COc2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458255196 1067013507 /nfs/dbraw/zinc/01/35/07/1067013507.db2.gz ISUFEYGLINWSJV-WIOPSUGQSA-N 0 0 458.961 4.604 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458255003 1067013556 /nfs/dbraw/zinc/01/35/56/1067013556.db2.gz ILCVFYZCBGVMQD-DHJUGAMNSA-N 0 0 458.961 4.991 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C)C2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545746031 1067013616 /nfs/dbraw/zinc/01/36/16/1067013616.db2.gz JKKMCFNFOUVVPB-PZJWPPBQSA-N 0 0 462.585 4.887 20 0 JJADRN COc1ccc(C2(C(=O)N[C@@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC001458256438 1067013809 /nfs/dbraw/zinc/01/38/09/1067013809.db2.gz KNYDAHOWJFLXDU-GGAORHGYSA-N 0 0 458.961 4.776 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545746100 1067013934 /nfs/dbraw/zinc/01/39/34/1067013934.db2.gz KCCHRKQMKFKJRJ-UXHICEINSA-N 0 0 486.604 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC001458255893 1067013954 /nfs/dbraw/zinc/01/39/54/1067013954.db2.gz JJOJUYSLBHBUEQ-UHFFFAOYSA-N 0 0 453.421 4.880 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1Sc1ccccc1 ZINC001458258266 1067014556 /nfs/dbraw/zinc/01/45/56/1067014556.db2.gz ZOONCBHDOLHASQ-UHFFFAOYSA-N 0 0 454.592 4.848 20 0 JJADRN Cc1cc(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cnc1N1CCCC[C@@H]1C ZINC001458257943 1067014672 /nfs/dbraw/zinc/01/46/72/1067014672.db2.gz MCEMBBZUWPWUGW-HNNXBMFYSA-N 0 0 459.381 4.968 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cc(-c2c(F)cccc2F)no1 ZINC001458257677 1067014706 /nfs/dbraw/zinc/01/47/06/1067014706.db2.gz XBDNAKIHXUPTJG-UHFFFAOYSA-N 0 0 451.216 4.864 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545746551 1067014778 /nfs/dbraw/zinc/01/47/78/1067014778.db2.gz QSZNHRZOIWBILN-DFXJHMEVSA-N 0 0 481.685 4.624 20 0 JJADRN COc1cc(C(=O)NCC(C)(C)C(C)(C)O)ccc1OCc1ccc(Br)cc1 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4.949 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270688 1067016832 /nfs/dbraw/zinc/01/68/32/1067016832.db2.gz BXLMHRRURZPOFH-JOCHJYFZSA-N 0 0 456.464 4.935 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(Br)c1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001546098824 1067017366 /nfs/dbraw/zinc/01/73/66/1067017366.db2.gz OOGZTGAFGYAHQO-UJPCXNRSSA-N 0 0 450.201 4.767 20 0 JJADRN O=C(N[C@H](CO)c1cccc(Br)c1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001546098823 1067017379 /nfs/dbraw/zinc/01/73/79/1067017379.db2.gz OOGZTGAFGYAHQO-UBYXTUIOSA-N 0 0 450.201 4.767 20 0 JJADRN COc1cccc([C@H]2C[C@H](NC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)C2)c1 ZINC001449608056 1067017956 /nfs/dbraw/zinc/01/79/56/1067017956.db2.gz KCEPLJXMHAGVIJ-VTJXTGGHSA-N 0 0 450.482 4.507 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545748743 1067018185 /nfs/dbraw/zinc/01/81/85/1067018185.db2.gz FGFDBSCJXSBDNR-DHIUTWEWSA-N 0 0 450.631 4.900 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)c(Br)c1 ZINC001458272846 1067018202 /nfs/dbraw/zinc/01/82/02/1067018202.db2.gz ADHDYBIVIHAYAE-MEBBXXQBSA-N 0 0 455.146 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H]3CCCC[C@@H]3c3ccccc3)[nH]n2)C1 ZINC001449634203 1067018272 /nfs/dbraw/zinc/01/82/72/1067018272.db2.gz COHOVOWSAXLVHA-PCCBWWKXSA-N 0 0 452.599 4.838 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1OC ZINC001546015850 1067018470 /nfs/dbraw/zinc/01/84/70/1067018470.db2.gz NJRQOFMNSZQGLE-PBBNMVCDSA-N 0 0 459.586 4.745 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545748859 1067018655 /nfs/dbraw/zinc/01/86/55/1067018655.db2.gz GNGKFALHULTCCY-VXNXHJTFSA-N 0 0 479.673 4.931 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C(C)(C)C1 ZINC001458274040 1067018594 /nfs/dbraw/zinc/01/85/94/1067018594.db2.gz FJEXILJCGOXBQD-UHFFFAOYSA-N 0 0 455.546 4.743 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc4c(Br)ccnc34)n[nH]2)cc1OC ZINC001449643275 1067018801 /nfs/dbraw/zinc/01/88/01/1067018801.db2.gz UCZCZOBEUUFLJD-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC001449637722 1067018957 /nfs/dbraw/zinc/01/89/57/1067018957.db2.gz UTMBPFGGBPRXBF-LJQANCHMSA-N 0 0 452.392 4.857 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001449637894 1067018991 /nfs/dbraw/zinc/01/89/91/1067018991.db2.gz FAGQSKNYSOKBNQ-XUZZJYLKSA-N 0 0 456.652 4.743 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1c(C)noc1C)c1ccccc1 ZINC001545749142 1067019366 /nfs/dbraw/zinc/01/93/66/1067019366.db2.gz KZUUPMXDPSDYTO-FGZHOGPDSA-N 0 0 478.641 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)C1 ZINC001449683067 1067019919 /nfs/dbraw/zinc/01/99/19/1067019919.db2.gz BHEAMQFBHKQLTG-JKSUJKDBSA-N 0 0 457.398 4.868 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545749347 1067019980 /nfs/dbraw/zinc/01/99/80/1067019980.db2.gz NAOJYEYUZWLVKR-FCHUYYIVSA-N 0 0 459.585 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)cc2C1 ZINC001449688922 1067020194 /nfs/dbraw/zinc/02/01/94/1067020194.db2.gz XFOKYYKVNDLWQW-CJAUYULYSA-N 0 0 457.571 4.665 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(-c2ccccc2)n1 ZINC001449687724 1067020207 /nfs/dbraw/zinc/02/02/07/1067020207.db2.gz FAJUMIABWLIMFP-LEWJYISDSA-N 0 0 452.599 4.679 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(-c2ccccc2)n1 ZINC001449687754 1067020237 /nfs/dbraw/zinc/02/02/37/1067020237.db2.gz FAJUMIABWLIMFP-RTWAWAEBSA-N 0 0 452.599 4.679 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2C2CCC2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545749397 1067020370 /nfs/dbraw/zinc/02/03/70/1067020370.db2.gz NKSRHUBRRAERKR-FCHUYYIVSA-N 0 0 458.672 4.802 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC001449690016 1067020361 /nfs/dbraw/zinc/02/03/61/1067020361.db2.gz GVHFQQGNXUUMHA-MSOLQXFVSA-N 0 0 458.990 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC001449690022 1067020377 /nfs/dbraw/zinc/02/03/77/1067020377.db2.gz GVHFQQGNXUUMHA-QZTJIDSGSA-N 0 0 458.990 4.839 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1[C@H]1CCCOC1 ZINC001449692387 1067020911 /nfs/dbraw/zinc/02/09/11/1067020911.db2.gz IESVFNFDDYDQMN-BDTNDASRSA-N 0 0 459.631 4.566 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545749797 1067020949 /nfs/dbraw/zinc/02/09/49/1067020949.db2.gz TYCGCYLHRXUUPX-RTWAWAEBSA-N 0 0 467.589 4.563 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC001449695284 1067021179 /nfs/dbraw/zinc/02/11/79/1067021179.db2.gz JGOYEADURYQTKJ-XJKSGUPXSA-N 0 0 450.448 4.960 20 0 JJADRN O=C(c1cccn1-c1cccc(I)c1)N1CCCc2ccccc2CC1 ZINC001449696679 1067021195 /nfs/dbraw/zinc/02/11/95/1067021195.db2.gz PLLXINDHPLZAOQ-UHFFFAOYSA-N 0 0 456.327 4.713 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001458285432 1067021396 /nfs/dbraw/zinc/02/13/96/1067021396.db2.gz RYYLCYAIHJRDLH-CQSZACIVSA-N 0 0 453.391 4.537 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc(C)c1Cl ZINC001449693814 1067021337 /nfs/dbraw/zinc/02/13/37/1067021337.db2.gz JHCLNYJFDMLDGG-MOPGFXCFSA-N 0 0 451.007 4.831 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545749956 1067021384 /nfs/dbraw/zinc/02/13/84/1067021384.db2.gz WBHPWYRAVVFCGD-YTFSRNRJSA-N 0 0 485.673 4.985 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(C)COC1)c1ccccc1 ZINC001545750013 1067021468 /nfs/dbraw/zinc/02/14/68/1067021468.db2.gz XBKDYSOPBMKYDG-FCHUYYIVSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC1(C)COC1)c1ccccc1 ZINC001545750014 1067021485 /nfs/dbraw/zinc/02/14/85/1067021485.db2.gz XBKDYSOPBMKYDG-FGZHOGPDSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545749935 1067021576 /nfs/dbraw/zinc/02/15/76/1067021576.db2.gz VVTYQWKHBPNJOJ-UEQSERJNSA-N 0 0 481.685 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)C2)C1 ZINC001449704458 1067021582 /nfs/dbraw/zinc/02/15/82/1067021582.db2.gz OPEXSMKREVXJNY-DHIUTWEWSA-N 0 0 456.627 4.830 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458285064 1067021543 /nfs/dbraw/zinc/02/15/43/1067021543.db2.gz CFIXSAOFINBGER-UTKZUKDTSA-N 0 0 458.484 4.932 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545750135 1067021737 /nfs/dbraw/zinc/02/17/37/1067021737.db2.gz YOQRUBHZOMIJIQ-DHIUTWEWSA-N 0 0 454.640 4.870 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545750052 1067021963 /nfs/dbraw/zinc/02/19/63/1067021963.db2.gz XMJBRCSFSJWYPW-PZUNEJSGSA-N 0 0 483.701 4.572 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Oc2ccc3cncnc3c2)cc1 ZINC001458289323 1067022525 /nfs/dbraw/zinc/02/25/25/1067022525.db2.gz OODLEPSNJFBWGM-UHFFFAOYSA-N 0 0 450.541 4.794 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545750167 1067022501 /nfs/dbraw/zinc/02/25/01/1067022501.db2.gz YUFIBAGDSRNCBS-BAGYTPMASA-N 0 0 471.646 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)C2)C1 ZINC001449709006 1067022512 /nfs/dbraw/zinc/02/25/12/1067022512.db2.gz RIFBFQBKTUQHCP-WSTZPKSXSA-N 0 0 450.526 4.582 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545751190 1067022971 /nfs/dbraw/zinc/02/29/71/1067022971.db2.gz AMUSGMLNEARSNY-QHCPKHFHSA-N 0 0 485.673 4.940 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)c3cc(C)ccc3I)cc2Cl)n[nH]1 ZINC001458293285 1067023192 /nfs/dbraw/zinc/02/31/92/1067023192.db2.gz CIDMYYXWPRZEMN-UHFFFAOYSA-N 0 0 452.683 4.599 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1(CC)CCOCC1)c1ccccc1 ZINC001545751376 1067023532 /nfs/dbraw/zinc/02/35/32/1067023532.db2.gz DTECJGVCRRJSDV-XMMPIXPASA-N 0 0 481.685 4.722 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC001449738230 1067023643 /nfs/dbraw/zinc/02/36/43/1067023643.db2.gz IKCPOLQXFMEXPS-MBSDFSHPSA-N 0 0 450.392 4.760 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)OC ZINC001546016497 1067023696 /nfs/dbraw/zinc/02/36/96/1067023696.db2.gz FZQBNLPQAZJTKG-UXHICEINSA-N 0 0 461.582 4.551 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)c2ccccc2Oc2cccnc2)cc1Br ZINC001449734824 1067023767 /nfs/dbraw/zinc/02/37/67/1067023767.db2.gz XNWVQPPVEIVFKI-GOSISDBHSA-N 0 0 455.352 4.526 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC001449731601 1067023809 /nfs/dbraw/zinc/02/38/09/1067023809.db2.gz KYBYEMBMYUVKJB-VQIMIIECSA-N 0 0 454.792 4.536 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC001458294942 1067023647 /nfs/dbraw/zinc/02/36/47/1067023647.db2.gz NNDCFADQWRXHSS-QGCDCVKKSA-N 0 0 451.563 4.784 20 0 JJADRN CCOCCOc1ccc(Br)cc1NC(=O)c1cc(N(C)C)c2ccccc2n1 ZINC001458294531 1067023785 /nfs/dbraw/zinc/02/37/85/1067023785.db2.gz OOOUOAQFPZSIRY-UHFFFAOYSA-N 0 0 458.356 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001449740065 1067024066 /nfs/dbraw/zinc/02/40/66/1067024066.db2.gz GRRPCFMRRUYKAY-LEWJYISDSA-N 0 0 458.647 4.789 20 0 JJADRN CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)COC1 ZINC001449738381 1067024298 /nfs/dbraw/zinc/02/42/98/1067024298.db2.gz JGVYBXZBYVFPRF-UHFFFAOYSA-N 0 0 458.624 4.558 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001449739928 1067024376 /nfs/dbraw/zinc/02/43/76/1067024376.db2.gz GHJUNXYKXRTEIM-MSOLQXFVSA-N 0 0 455.640 4.612 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC[C@@H]1c1ccc(C)o1 ZINC001458296062 1067024402 /nfs/dbraw/zinc/02/44/02/1067024402.db2.gz QGDCFDYWCKXKSH-WOJBJXKFSA-N 0 0 456.539 4.522 20 0 JJADRN COC[C@@]1(CO)CCN(C(=O)c2ccc(N[C@H](C)c3cc(Cl)ccc3Cl)c(C)c2)C1 ZINC001449745647 1067024736 /nfs/dbraw/zinc/02/47/36/1067024736.db2.gz KLOZIAQRUVGTEC-MWTRTKDXSA-N 0 0 451.394 4.946 20 0 JJADRN COC[C@@H](CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC001449742740 1067024769 /nfs/dbraw/zinc/02/47/69/1067024769.db2.gz LAORLHUTBKSXEY-KNQAVFIVSA-N 0 0 458.986 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001449742485 1067024814 /nfs/dbraw/zinc/02/48/14/1067024814.db2.gz LBKIEANMFCVKCC-SFTDATJTSA-N 0 0 450.023 4.600 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545751669 1067025051 /nfs/dbraw/zinc/02/50/51/1067025051.db2.gz JPYUBQRZGZJEOI-SDHSZQHLSA-N 0 0 481.685 4.576 20 0 JJADRN COC[C@]1(CO)CCN(C(=O)c2ccc(N[C@H](C)c3cc(Cl)ccc3Cl)c(C)c2)C1 ZINC001449745669 1067025130 /nfs/dbraw/zinc/02/51/30/1067025130.db2.gz KLOZIAQRUVGTEC-WAIKUNEKSA-N 0 0 451.394 4.946 20 0 JJADRN COC[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1 ZINC001449754159 1067025591 /nfs/dbraw/zinc/02/55/91/1067025591.db2.gz WXEUZFVFLGCTTH-YOEHRIQHSA-N 0 0 455.769 4.546 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](SC)C2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545751953 1067025939 /nfs/dbraw/zinc/02/59/39/1067025939.db2.gz NYWUUKKTXHWHAG-LEWJYISDSA-N 0 0 457.688 4.847 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](C)C2)n1CC1(OCCOC)CCOCC1)c1ccccc1 ZINC001545752026 1067025969 /nfs/dbraw/zinc/02/59/69/1067025969.db2.gz PLALOHHGOCOGCH-VWNXMTODSA-N 0 0 470.658 4.659 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1)OC ZINC001546017104 1067026055 /nfs/dbraw/zinc/02/60/55/1067026055.db2.gz OTCBCYWCUDNMBQ-QMMLZNLJSA-N 0 0 473.618 4.678 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1Br ZINC001449759847 1067026111 /nfs/dbraw/zinc/02/61/11/1067026111.db2.gz MJXBTWDGHGSJJR-KXBFYZLASA-N 0 0 452.820 4.947 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1Br ZINC001449759821 1067026142 /nfs/dbraw/zinc/02/61/42/1067026142.db2.gz MJXBTWDGHGSJJR-DNVCBOLYSA-N 0 0 452.820 4.947 20 0 JJADRN CN1CCCc2cc(COC(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)ccc21 ZINC001458308916 1067026098 /nfs/dbraw/zinc/02/60/98/1067026098.db2.gz LGROWYCQQFSVLR-ONDWKUSTSA-N 0 0 452.982 4.860 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(c1ccc(N(C)C)cc1)[C@@H](C)c1ccccn1 ZINC001458308622 1067026127 /nfs/dbraw/zinc/02/61/27/1067026127.db2.gz JSPNFZQVJCGBPS-DCFHFQCYSA-N 0 0 456.590 4.778 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H]1OCCC1(C)C)c1ccccc1 ZINC001545751923 1067025999 /nfs/dbraw/zinc/02/59/99/1067025999.db2.gz NOMFGBSUZDWQNN-BJKOFHAPSA-N 0 0 497.684 4.940 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017202 1067026351 /nfs/dbraw/zinc/02/63/51/1067026351.db2.gz QDCLSMWIDGIWJU-HKUYNNGSSA-N 0 0 456.566 4.648 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC3(CCOCC3)C2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545752121 1067026384 /nfs/dbraw/zinc/02/63/84/1067026384.db2.gz REWDXSMCZCRYBM-NBLPZQPVSA-N 0 0 472.699 4.764 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545752125 1067026452 /nfs/dbraw/zinc/02/64/52/1067026452.db2.gz RGRLBRFTWDNSQU-BAGYTPMASA-N 0 0 479.591 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)CC1 ZINC001449772143 1067026782 /nfs/dbraw/zinc/02/67/82/1067026782.db2.gz BSIDGEXDLSTKMK-XLIONFOSSA-N 0 0 466.022 4.567 20 0 JJADRN Cc1ccsc1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001458311510 1067026838 /nfs/dbraw/zinc/02/68/38/1067026838.db2.gz CIZODCXPJCSEQN-KRWDZBQOSA-N 0 0 453.402 4.744 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N(c3ccc(N(C)C)cc3)[C@@H](C)c3ccccn3)CC2=O)cc1 ZINC001458311698 1067026954 /nfs/dbraw/zinc/02/69/54/1067026954.db2.gz XQKKQKMKUIMZOM-JTHBVZDNSA-N 0 0 456.590 4.599 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](COC)C2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545752174 1067027134 /nfs/dbraw/zinc/02/71/34/1067027134.db2.gz SDEZUFVDOLCPEJ-URXFXBBRSA-N 0 0 467.658 4.522 20 0 JJADRN Cc1sc(-n2cccc2)c(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1C ZINC001449773600 1067027505 /nfs/dbraw/zinc/02/75/05/1067027505.db2.gz GQEWHXWSLZCTQU-CTNGQTDRSA-N 0 0 473.639 4.690 20 0 JJADRN CC(C)c1c(C(=O)Nc2nnc3ccc(Br)cn32)cnn1-c1ccc(Cl)cc1 ZINC001449782273 1067027676 /nfs/dbraw/zinc/02/76/76/1067027676.db2.gz BVZTXTHXWQZSRO-UHFFFAOYSA-N 0 0 459.735 4.707 20 0 JJADRN Cc1ccc(Br)c2c1N(C(=O)c1ccccc1I)CCC2 ZINC001458314855 1067027919 /nfs/dbraw/zinc/02/79/19/1067027919.db2.gz VSWMJXACXUAEAY-UHFFFAOYSA-N 0 0 456.121 4.955 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](SC)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545752424 1067028209 /nfs/dbraw/zinc/02/82/09/1067028209.db2.gz XHZCBSVKLXYUBA-XZOQPEGZSA-N 0 0 471.715 4.653 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545752463 1067028355 /nfs/dbraw/zinc/02/83/55/1067028355.db2.gz YALWSMQSKBSQLZ-FCHUYYIVSA-N 0 0 472.680 4.642 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)OC(C)(C)C ZINC001449790050 1067028497 /nfs/dbraw/zinc/02/84/97/1067028497.db2.gz YFPBZPALNNFDLV-RHSMWYFYSA-N 0 0 455.020 4.796 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1)c1ccccc1 ZINC001458317444 1067028753 /nfs/dbraw/zinc/02/87/53/1067028753.db2.gz UQWUIXQEVHCWFS-UHFFFAOYSA-N 0 0 456.468 4.656 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)on1 ZINC001458317564 1067028763 /nfs/dbraw/zinc/02/87/63/1067028763.db2.gz WRIMSOBCKZXALR-UHFFFAOYSA-N 0 0 450.486 4.968 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C(C)(C)C1 ZINC001449792058 1067028572 /nfs/dbraw/zinc/02/85/72/1067028572.db2.gz TUOKBMLCWGTYMU-GOEBONIOSA-N 0 0 455.368 4.585 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC001545752525 1067028804 /nfs/dbraw/zinc/02/88/04/1067028804.db2.gz YRRMKIHUSBKBKD-ICDZXHCJSA-N 0 0 453.675 4.803 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2c(F)cc(C)cc2I)c(OC)c1 ZINC001458319719 1067029024 /nfs/dbraw/zinc/02/90/24/1067029024.db2.gz KBOOFYRXPLCZCY-SNAWJCMRSA-N 0 0 455.267 4.798 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1)NC(=O)OC(C)(C)C ZINC001546016912 1067029306 /nfs/dbraw/zinc/02/93/06/1067029306.db2.gz LHBXBNPJPYAOIB-VXKWHMMOSA-N 0 0 483.657 4.667 20 0 JJADRN CC[C@H](CSC)N(C)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001458319765 1067029376 /nfs/dbraw/zinc/02/93/76/1067029376.db2.gz BYDMFDUAAOFQQI-GOSISDBHSA-N 0 0 454.514 4.937 20 0 JJADRN CON(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)c1csc(C)n1 ZINC001449796138 1067029531 /nfs/dbraw/zinc/02/95/31/1067029531.db2.gz PASQQXRYXRLUGU-SWLSCSKDSA-N 0 0 456.395 4.762 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545753978 1067029719 /nfs/dbraw/zinc/02/97/19/1067029719.db2.gz CFJBKEQOZAWGED-DWQJTFDBSA-N 0 0 483.657 4.691 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1cc(Br)no1 ZINC001449803461 1067030417 /nfs/dbraw/zinc/03/04/17/1067030417.db2.gz ZHGDIUONGBHYGK-SNVBAGLBSA-N 0 0 456.749 4.684 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC ZINC001545754253 1067030357 /nfs/dbraw/zinc/03/03/57/1067030357.db2.gz JANPFUZZMACMSR-YMPZKCBVSA-N 0 0 484.689 4.511 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545754209 1067030530 /nfs/dbraw/zinc/03/05/30/1067030530.db2.gz IGXJWUUGWMUKPE-TZIWHRDSSA-N 0 0 471.646 4.691 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001458322810 1067030483 /nfs/dbraw/zinc/03/04/83/1067030483.db2.gz QFMGDANXRRVQME-UHFFFAOYSA-N 0 0 458.799 4.636 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1nc(C(F)(F)F)ns1 ZINC001458323249 1067030499 /nfs/dbraw/zinc/03/04/99/1067030499.db2.gz QEKXKZZTONQIEG-LLVKDONJSA-N 0 0 452.296 4.514 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001458322903 1067030553 /nfs/dbraw/zinc/03/05/53/1067030553.db2.gz KOIMHHHSKQJTCZ-QRFQSNJMSA-N 0 0 452.389 4.710 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545754207 1067030609 /nfs/dbraw/zinc/03/06/09/1067030609.db2.gz IGXJWUUGWMUKPE-FPOVZHCZSA-N 0 0 471.646 4.691 20 0 JJADRN O=C(c1ccccc1)c1cc(F)c(F)cc1C(=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC001449829220 1067030933 /nfs/dbraw/zinc/03/09/33/1067030933.db2.gz LEWRHOVNRJDRJY-UHFFFAOYSA-N 0 0 456.439 4.827 20 0 JJADRN O=C(Nc1cnc2c(c1)COCC2)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001458325153 1067031101 /nfs/dbraw/zinc/03/11/01/1067031101.db2.gz UGHVLSUUJDVDSF-UHFFFAOYSA-N 0 0 456.346 4.630 20 0 JJADRN C[C@H](CCO)n1c2ccc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)cc2nc1C(F)(F)F ZINC001449837055 1067031049 /nfs/dbraw/zinc/03/10/49/1067031049.db2.gz GOCVHAMNPLNLAI-JZWPEALZSA-N 0 0 451.489 4.723 20 0 JJADRN COc1nc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cc2ccccc21 ZINC001449837619 1067031325 /nfs/dbraw/zinc/03/13/25/1067031325.db2.gz HWLQHYFVOUDAGL-ZDUSSCGKSA-N 0 0 458.440 4.808 20 0 JJADRN OC[C@H](CNc1nc(-c2ccccn2)nc2sccc21)Cc1ccccc1Br ZINC001458325963 1067031360 /nfs/dbraw/zinc/03/13/60/1067031360.db2.gz JMILSODAMVJWIA-AWEZNQCLSA-N 0 0 455.381 4.779 20 0 JJADRN C[C@H](CCO)n1c2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc2nc1C(F)(F)F ZINC001449840546 1067031578 /nfs/dbraw/zinc/03/15/78/1067031578.db2.gz NEQRYSJGRINTJB-CQSZACIVSA-N 0 0 457.456 4.651 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001458326669 1067031730 /nfs/dbraw/zinc/03/17/30/1067031730.db2.gz GYNPBEKFFRIBIE-MRXNPFEDSA-N 0 0 452.356 4.741 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC1(CC)CC1)c1ccccc1 ZINC001545754747 1067031703 /nfs/dbraw/zinc/03/17/03/1067031703.db2.gz UIGLSBAYMCJNMZ-JOCHJYFZSA-N 0 0 452.647 4.594 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CCc3cc(Br)cc(F)c3C2)o1 ZINC001458327210 1067031822 /nfs/dbraw/zinc/03/18/22/1067031822.db2.gz RLPLOZYLWKXARV-FNORWQNLSA-N 0 0 450.304 4.735 20 0 JJADRN COCCOc1cc(COC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)ccn1 ZINC001458326737 1067031831 /nfs/dbraw/zinc/03/18/31/1067031831.db2.gz OGCODCVPMVWBPE-UHFFFAOYSA-N 0 0 452.454 4.530 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1Cc1ccc(C)s1)c1ccccc1 ZINC001545754989 1067031958 /nfs/dbraw/zinc/03/19/58/1067031958.db2.gz ZWFGXUGYAIISAW-HSZRJFAPSA-N 0 0 480.682 4.822 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545754911 1067032127 /nfs/dbraw/zinc/03/21/27/1067032127.db2.gz YISRLGOQELHLBM-SJLPKXTDSA-N 0 0 467.536 4.828 20 0 JJADRN COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001545755563 1067032510 /nfs/dbraw/zinc/03/25/10/1067032510.db2.gz NPXKJEZWFKGYHG-HXUWFJFHSA-N 0 0 458.624 4.749 20 0 JJADRN O[C@H](CN(Cc1ccccc1)c1nnc(-c2ccccn2)s1)c1cccc(OC(F)F)c1 ZINC001458332757 1067032865 /nfs/dbraw/zinc/03/28/65/1067032865.db2.gz SJEVLJWTOYRZSG-HXUWFJFHSA-N 0 0 454.502 4.942 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccsc1)c1ccccc1 ZINC001545756294 1067033490 /nfs/dbraw/zinc/03/34/90/1067033490.db2.gz DZZMXBUKLPZLTD-QFIPXVFZSA-N 0 0 467.639 4.844 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2nc(-c3cccs3)ns2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001458334167 1067033467 /nfs/dbraw/zinc/03/34/67/1067033467.db2.gz KDHFKQFGXZIYJW-ZUZCIYMTSA-N 0 0 453.376 4.732 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c1)c1cccnc1 ZINC001449877613 1067033623 /nfs/dbraw/zinc/03/36/23/1067033623.db2.gz KJQVEYVDDJJDLA-LJQANCHMSA-N 0 0 450.336 4.726 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458336562 1067033677 /nfs/dbraw/zinc/03/36/77/1067033677.db2.gz WBAXOSCZYMHURG-LJQANCHMSA-N 0 0 454.929 4.832 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2nccnc2C)CCO1 ZINC001546099514 1067033776 /nfs/dbraw/zinc/03/37/76/1067033776.db2.gz GTEMZYQDVGVEAT-HHHXNRCGSA-N 0 0 478.641 4.501 20 0 JJADRN CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001449874666 1067033674 /nfs/dbraw/zinc/03/36/74/1067033674.db2.gz MHVVZPXIOCXYGN-NVXWUHKLSA-N 0 0 477.797 4.745 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCC[C@H]2C)CCO1 ZINC001546099541 1067034038 /nfs/dbraw/zinc/03/40/38/1067034038.db2.gz HGEFBOQGAZEKRX-LIKDZFNVSA-N 0 0 491.076 4.808 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc3[nH]c(Cc4ccc(F)cc4)nc3c2)c1C ZINC001449891286 1067034282 /nfs/dbraw/zinc/03/42/82/1067034282.db2.gz JHYFFUIOAVHYQI-UHFFFAOYSA-N 0 0 451.523 4.565 20 0 JJADRN O=C(Cn1cc(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)cn1)NC1CCCCC1 ZINC001449891075 1067034308 /nfs/dbraw/zinc/03/43/08/1067034308.db2.gz AOBZVLMWJBSXHC-UHFFFAOYSA-N 0 0 457.018 4.617 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545756822 1067034552 /nfs/dbraw/zinc/03/45/52/1067034552.db2.gz OSIBQCOIVXPVPV-FKBYEOEOSA-N 0 0 477.575 4.857 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N[C@@H]1CCCOCC1 ZINC001458338831 1067034577 /nfs/dbraw/zinc/03/45/77/1067034577.db2.gz FGWPNWTWJOXXAA-HXUWFJFHSA-N 0 0 454.368 4.530 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458338391 1067034710 /nfs/dbraw/zinc/03/47/10/1067034710.db2.gz ARKMWYGHLTZADQ-DGCLKSJQSA-N 0 0 459.718 4.543 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001458339381 1067034898 /nfs/dbraw/zinc/03/48/98/1067034898.db2.gz FFXKSTWKJNEIPZ-AWEZNQCLSA-N 0 0 453.732 4.980 20 0 JJADRN Cc1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1cccc(F)c1 ZINC001458340175 1067035166 /nfs/dbraw/zinc/03/51/66/1067035166.db2.gz KMSYNJOQAKINOG-FQEVSTJZSA-N 0 0 456.493 4.706 20 0 JJADRN CN(Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1)C(=O)OC(C)(C)C ZINC001449900288 1067035206 /nfs/dbraw/zinc/03/52/06/1067035206.db2.gz LMTZOPDEFSQYOR-FQEVSTJZSA-N 0 0 457.958 4.699 20 0 JJADRN Cc1cc(NC(=O)Cc2cc3c(cc2Br)OCCO3)nn1-c1cc(C)cc(C)c1 ZINC001458340648 1067035419 /nfs/dbraw/zinc/03/54/19/1067035419.db2.gz MLKYNSAKIUXFLV-UHFFFAOYSA-N 0 0 456.340 4.512 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)N1CC[C@H](F)C1 ZINC001449902296 1067035676 /nfs/dbraw/zinc/03/56/76/1067035676.db2.gz ZZEQOOAZBAKJPQ-AWEZNQCLSA-N 0 0 451.354 4.904 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001458342120 1067035813 /nfs/dbraw/zinc/03/58/13/1067035813.db2.gz QIEQLMWMVQMGHU-HXUWFJFHSA-N 0 0 454.571 4.647 20 0 JJADRN CN(Cc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)cc1)C(=O)OC(C)(C)C ZINC001449902726 1067035697 /nfs/dbraw/zinc/03/56/97/1067035697.db2.gz POEMBVMFNSWFRS-MRXNPFEDSA-N 0 0 457.518 4.541 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)Cc2csc3cc(C)sc23)c1 ZINC001546018207 1067036244 /nfs/dbraw/zinc/03/62/44/1067036244.db2.gz UVMXDCLRPIMABZ-UHFFFAOYSA-N 0 0 451.639 4.525 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449907936 1067036972 /nfs/dbraw/zinc/03/69/72/1067036972.db2.gz DOFRDKOTJNFWLX-JOCHJYFZSA-N 0 0 457.412 4.918 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458345018 1067037124 /nfs/dbraw/zinc/03/71/24/1067037124.db2.gz XFKOBXUUNAGCFE-IBGZPJMESA-N 0 0 451.929 4.521 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC001449915056 1067037131 /nfs/dbraw/zinc/03/71/31/1067037131.db2.gz MHUHTIPQEVQTPZ-JLTOFOAXSA-N 0 0 454.792 4.872 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)cc2)c1C ZINC001449913919 1067037348 /nfs/dbraw/zinc/03/73/48/1067037348.db2.gz USMHIYVMEMSZKO-UZUQRXQVSA-N 0 0 450.560 4.746 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@H]1CCCSC1)c1ccccc1 ZINC001545758566 1067038221 /nfs/dbraw/zinc/03/82/21/1067038221.db2.gz JCSMXEAOBSRBDW-ISKFKSNPSA-N 0 0 471.715 4.510 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001458347668 1067038350 /nfs/dbraw/zinc/03/83/50/1067038350.db2.gz IBZPFKSAESCYJN-DIFFPNOSSA-N 0 0 457.162 4.726 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCSC2(CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001546018480 1067038590 /nfs/dbraw/zinc/03/85/90/1067038590.db2.gz CQWSZGUNBIFRNI-RTBURBONSA-N 0 0 479.691 4.689 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458349188 1067038677 /nfs/dbraw/zinc/03/86/77/1067038677.db2.gz SEQPPPOWONQZPG-FDDCHVKYSA-N 0 0 450.579 4.834 20 0 JJADRN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001458350404 1067039126 /nfs/dbraw/zinc/03/91/26/1067039126.db2.gz QBTGEBWDIHEMAB-IBGZPJMESA-N 0 0 451.320 4.956 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458349730 1067039159 /nfs/dbraw/zinc/03/91/59/1067039159.db2.gz UYTJXNOABRDZBN-WZONZLPQSA-N 0 0 450.579 4.817 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458349713 1067039266 /nfs/dbraw/zinc/03/92/66/1067039266.db2.gz UYTJXNOABRDZBN-FDDCHVKYSA-N 0 0 450.579 4.817 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)cc1 ZINC001458349406 1067039279 /nfs/dbraw/zinc/03/92/79/1067039279.db2.gz MPQLKROWCDGRNZ-ZUOKHONESA-N 0 0 456.764 4.772 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)c2c1C ZINC001458349754 1067039291 /nfs/dbraw/zinc/03/92/91/1067039291.db2.gz UAQWYMSIHONWLA-QFBILLFUSA-N 0 0 452.624 4.929 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546018643 1067040443 /nfs/dbraw/zinc/04/04/43/1067040443.db2.gz GJJYBJBOGUACQK-UWHLTILDSA-N 0 0 477.694 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC[C@H]3COc3ccccc3)cc2CC1 ZINC001449992659 1067040702 /nfs/dbraw/zinc/04/07/02/1067040702.db2.gz ATERDJVKSYXUJO-QHCPKHFHSA-N 0 0 450.579 4.706 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1)OC ZINC001546018707 1067040826 /nfs/dbraw/zinc/04/08/26/1067040826.db2.gz HKVBLCUZLQFFLN-VAMGGRTRSA-N 0 0 461.676 4.771 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545759055 1067040785 /nfs/dbraw/zinc/04/07/85/1067040785.db2.gz QVIHZTYYRUHQNE-HXUWFJFHSA-N 0 0 472.058 4.888 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545759159 1067040909 /nfs/dbraw/zinc/04/09/09/1067040909.db2.gz SOQQKNTZLIVVNF-STAYPELNSA-N 0 0 481.685 4.718 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC001458355077 1067040861 /nfs/dbraw/zinc/04/08/61/1067040861.db2.gz FEAUXUNKUAIOHA-UHFFFAOYSA-N 0 0 452.812 4.714 20 0 JJADRN C[C@H](CC(=O)NCCSCc1ccc(Cl)cc1Cl)n1cc(Br)cn1 ZINC001458357798 1067041404 /nfs/dbraw/zinc/04/14/04/1067041404.db2.gz KVOTXBLZFARGHF-LLVKDONJSA-N 0 0 451.217 4.953 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546018844 1067041504 /nfs/dbraw/zinc/04/15/04/1067041504.db2.gz JNHMFILNMMNBHL-MTQWCTHYSA-N 0 0 463.667 4.736 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545759276 1067041569 /nfs/dbraw/zinc/04/15/69/1067041569.db2.gz VTUMHGSIXDNFMT-FTBPSBKWSA-N 0 0 481.685 4.862 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001458358114 1067041585 /nfs/dbraw/zinc/04/15/85/1067041585.db2.gz XHBLEDOEHAEHFE-PXNSSMCTSA-N 0 0 453.583 4.680 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545759178 1067041644 /nfs/dbraw/zinc/04/16/44/1067041644.db2.gz TVOQDVNWNDNNPW-JOCHJYFZSA-N 0 0 468.671 4.580 20 0 JJADRN O=C(c1conc1C1CCCC1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001450017854 1067041959 /nfs/dbraw/zinc/04/19/59/1067041959.db2.gz SYXMDOAHLONHJO-OAHLLOKOSA-N 0 0 450.320 4.642 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545759304 1067041973 /nfs/dbraw/zinc/04/19/73/1067041973.db2.gz WDMRSBPCKAORRT-GMKZXUHWSA-N 0 0 457.638 4.505 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001450022762 1067042221 /nfs/dbraw/zinc/04/22/21/1067042221.db2.gz DKYFRIQJSSPQGU-KRWDZBQOSA-N 0 0 457.374 4.763 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc2c(C)nn(C)c2c1)NC(=O)OC(C)(C)C ZINC001450023569 1067042330 /nfs/dbraw/zinc/04/23/30/1067042330.db2.gz QAHJZVLPNKDGDR-FQEVSTJZSA-N 0 0 452.555 4.875 20 0 JJADRN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC001458361887 1067042238 /nfs/dbraw/zinc/04/22/38/1067042238.db2.gz FGQYZVDPIBEXPC-UHFFFAOYSA-N 0 0 457.703 4.623 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458364191 1067042536 /nfs/dbraw/zinc/04/25/36/1067042536.db2.gz IEYGMOYVLUIASM-MRXNPFEDSA-N 0 0 455.700 4.996 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545759445 1067042547 /nfs/dbraw/zinc/04/25/47/1067042547.db2.gz XZSWSBPCESOKQB-KNQAVFIVSA-N 0 0 455.697 4.955 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1C[C@@H]1CCCCS1)c1ccccc1 ZINC001545759461 1067042716 /nfs/dbraw/zinc/04/27/16/1067042716.db2.gz YDQHFRJZUMGSAL-AKIFATBCSA-N 0 0 469.699 4.799 20 0 JJADRN O=C([C@H](c1ccccc1)N1CCSCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450027774 1067043001 /nfs/dbraw/zinc/04/30/01/1067043001.db2.gz LCPVDZVMBOMIEW-SFHVURJKSA-N 0 0 455.571 4.658 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001450031096 1067043298 /nfs/dbraw/zinc/04/32/98/1067043298.db2.gz OYMNEAKDMGMPEQ-CQSZACIVSA-N 0 0 459.237 4.942 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759556 1067043220 /nfs/dbraw/zinc/04/32/20/1067043220.db2.gz ZLRFRNBJWWFPIH-VXKWHMMOSA-N 0 0 471.715 4.902 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCO[C@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001458368537 1067043246 /nfs/dbraw/zinc/04/32/46/1067043246.db2.gz MGWINYBZEPXPPZ-ZIAGYGMSSA-N 0 0 454.386 4.643 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)OC ZINC001546018969 1067043492 /nfs/dbraw/zinc/04/34/92/1067043492.db2.gz LXAUZGWUFQGSIE-JPAWQOSXSA-N 0 0 477.049 4.933 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)C(C)(C)Oc3cccc(Cl)c3)cc2C1 ZINC001458367686 1067043501 /nfs/dbraw/zinc/04/35/01/1067043501.db2.gz JPAPWIDPCXBLFC-QGZVFWFLSA-N 0 0 459.974 4.913 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)F ZINC001450039257 1067043541 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ZINC001450139188 1067052813 /nfs/dbraw/zinc/05/28/13/1067052813.db2.gz ICBVXLRZXCGEAY-KSSFIOAISA-N 0 0 452.439 4.658 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1 ZINC001545767142 1067052948 /nfs/dbraw/zinc/05/29/48/1067052948.db2.gz MPZSNSLKDSCYNK-CMFPSAGXSA-N 0 0 461.559 4.956 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546019629 1067053090 /nfs/dbraw/zinc/05/30/90/1067053090.db2.gz ZGAPPZGKAJDDRI-XKGZKEIXSA-N 0 0 473.593 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3coc(-c4c(F)cccc4F)n3)cc2C1 ZINC001458403643 1067053210 /nfs/dbraw/zinc/05/32/10/1067053210.db2.gz BGCSZSBWHNXKGM-UHFFFAOYSA-N 0 0 456.449 4.560 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nc2ccccc2n1Cc1ccccc1C ZINC001458404385 1067053474 /nfs/dbraw/zinc/05/34/74/1067053474.db2.gz AESCXEMNBKESGL-HSZRJFAPSA-N 0 0 456.546 4.689 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2Cc2ccccc2Br)n2nc(C(F)(F)F)nc2n1 ZINC001458404695 1067053506 /nfs/dbraw/zinc/05/35/06/1067053506.db2.gz WWKKQLYEDZPCAL-CQSZACIVSA-N 0 0 454.294 4.816 20 0 JJADRN CC[C@@H](c1nnc(Nc2cnn(C)c2)n1Cc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC001545768206 1067053821 /nfs/dbraw/zinc/05/38/21/1067053821.db2.gz OZTHWIDBEVEYBD-LJQANCHMSA-N 0 0 471.487 4.682 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC001458407577 1067054109 /nfs/dbraw/zinc/05/41/09/1067054109.db2.gz RXSYKRAXJUWGGY-INIZCTEOSA-N 0 0 451.413 4.504 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(Cl)c1)SC ZINC001545768255 1067054095 /nfs/dbraw/zinc/05/40/95/1067054095.db2.gz QHZDRLVLBQLHHI-UHFFFAOYSA-N 0 0 456.031 4.767 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)COc1ccccc1Br ZINC001458408414 1067054359 /nfs/dbraw/zinc/05/43/59/1067054359.db2.gz VBJAROHBLFDSMK-UHFFFAOYSA-N 0 0 453.134 4.599 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001458408281 1067054390 /nfs/dbraw/zinc/05/43/90/1067054390.db2.gz IFBTWBPNGKMZLP-KBEBWBJJSA-N 0 0 456.945 4.904 20 0 JJADRN C[C@@H]1CN(c2cc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc(Oc3ccccc3)n2)[C@H]1C ZINC001458408823 1067054419 /nfs/dbraw/zinc/05/44/19/1067054419.db2.gz PURUHFOSYCPYRD-QYZOEREBSA-N 0 0 453.587 4.607 20 0 JJADRN C[C@H]1CN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450154195 1067054868 /nfs/dbraw/zinc/05/48/68/1067054868.db2.gz UDTGCDFVCQBKCY-KXBFYZLASA-N 0 0 456.505 4.783 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCc4ccc(F)c(F)c4C3)c2)cc1 ZINC001545768851 1067055029 /nfs/dbraw/zinc/05/50/29/1067055029.db2.gz IEJMINZCGGWKRY-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl)OC ZINC001545769686 1067055226 /nfs/dbraw/zinc/05/52/26/1067055226.db2.gz HSSFCNUOMGVGBF-UHFFFAOYSA-N 0 0 474.968 4.560 20 0 JJADRN COCC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccc(C)o1 ZINC001458411874 1067055238 /nfs/dbraw/zinc/05/52/38/1067055238.db2.gz NIGCYVAUCDQHGH-VSKRKVRLSA-N 0 0 456.583 4.508 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@H](C)C1)OC ZINC001545769704 1067055400 /nfs/dbraw/zinc/05/54/00/1067055400.db2.gz IDOJVODXSURLEN-HDICACEKSA-N 0 0 462.038 4.549 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1)SC ZINC001545769482 1067055447 /nfs/dbraw/zinc/05/54/47/1067055447.db2.gz BPIXHOBWHRYNAM-HXUWFJFHSA-N 0 0 459.660 4.688 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(OC)cc3Br)CC2=O)cc1 ZINC001458413024 1067055316 /nfs/dbraw/zinc/05/53/16/1067055316.db2.gz PHVBNKFHCLWRJZ-DOTOQJQBSA-N 0 0 459.384 4.641 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001458411831 1067055414 /nfs/dbraw/zinc/05/54/14/1067055414.db2.gz NDELGKCIKZCIBS-OWQGQXMQSA-N 0 0 455.393 4.718 20 0 JJADRN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001450157760 1067055320 /nfs/dbraw/zinc/05/53/20/1067055320.db2.gz YQZQOLLJRYSIBL-BETUJISGSA-N 0 0 457.265 4.815 20 0 JJADRN COc1ccc([C@@H](C)Nc2ncnc(CC(C)C)c2I)c(C)c1OC ZINC001458413640 1067055763 /nfs/dbraw/zinc/05/57/63/1067055763.db2.gz HERIFDLMQRNBCV-CYBMUJFWSA-N 0 0 455.340 4.778 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)cc2C1)SC ZINC001545770036 1067055828 /nfs/dbraw/zinc/05/58/28/1067055828.db2.gz SKCMETCVUPNOHV-UHFFFAOYSA-N 0 0 450.052 4.554 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C)SC ZINC001545770028 1067055844 /nfs/dbraw/zinc/05/58/44/1067055844.db2.gz SAIVSCGOBOTPIV-MRXNPFEDSA-N 0 0 450.052 4.772 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1noc(-c2ccccc2)n1 ZINC001545770461 1067056396 /nfs/dbraw/zinc/05/63/96/1067056396.db2.gz IYPNYQOPMGANET-XMSQKQJNSA-N 0 0 456.502 4.582 20 0 JJADRN O=C(c1cnc(OCC2CC2)cn1)N(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001458419431 1067056593 /nfs/dbraw/zinc/05/65/93/1067056593.db2.gz ZPTJAKDGPWZZSP-UHFFFAOYSA-N 0 0 452.352 4.871 20 0 JJADRN O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001458418712 1067056606 /nfs/dbraw/zinc/05/66/06/1067056606.db2.gz LJTLVHGAOUDGHP-QFIPXVFZSA-N 0 0 459.489 4.962 20 0 JJADRN CCCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1OCC ZINC001458418195 1067056648 /nfs/dbraw/zinc/05/66/48/1067056648.db2.gz XVTNVDCTZDZSNA-UHFFFAOYSA-N 0 0 455.555 4.815 20 0 JJADRN Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1OC(F)F ZINC001458419388 1067056838 /nfs/dbraw/zinc/05/68/38/1067056838.db2.gz ZANIPDZREYFYAH-UHFFFAOYSA-N 0 0 450.283 4.627 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N[C@H](C)c3cc(Cl)ccc3OC(F)F)CC2=O)c1 ZINC001458419385 1067056852 /nfs/dbraw/zinc/05/68/52/1067056852.db2.gz CJDJRNHOAFZUKP-CHWSQXEVSA-N 0 0 454.926 4.894 20 0 JJADRN COCc1cc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)cc(C(=O)OC)c1 ZINC001450165489 1067056858 /nfs/dbraw/zinc/05/68/58/1067056858.db2.gz ZDBLFQCNBWIFTR-UHFFFAOYSA-N 0 0 454.914 4.676 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@H]1C)OC ZINC001545771087 1067057040 /nfs/dbraw/zinc/05/70/40/1067057040.db2.gz FQEPJIJNDZDUJD-HUUCEWRRSA-N 0 0 470.481 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NC3(Cc4ccc(F)cc4)CCOCC3)c2C1 ZINC001450170583 1067057267 /nfs/dbraw/zinc/05/72/67/1067057267.db2.gz JESGIOBUYGNHJJ-UHFFFAOYSA-N 0 0 454.542 4.598 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC001450170206 1067057449 /nfs/dbraw/zinc/05/74/49/1067057449.db2.gz FRDSOIWMYLDZNJ-UHFFFAOYSA-N 0 0 455.292 4.596 20 0 JJADRN COC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(F)c(F)c1 ZINC001458424509 1067057441 /nfs/dbraw/zinc/05/74/41/1067057441.db2.gz SKRFUHNICTXBPF-INIZCTEOSA-N 0 0 454.260 4.971 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)C1 ZINC001450170484 1067057462 /nfs/dbraw/zinc/05/74/62/1067057462.db2.gz GYGNRRNVGHTCQO-PKOBYXMFSA-N 0 0 464.628 4.815 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCOC2)C1)SC ZINC001545771212 1067057466 /nfs/dbraw/zinc/05/74/66/1067057466.db2.gz ITVMDMAVAQJTFR-NRFANRHFSA-N 0 0 495.487 4.625 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OCC(C)C)C1)OC ZINC001545771112 1067057512 /nfs/dbraw/zinc/05/75/12/1067057512.db2.gz GFOVOEDXLVPJKO-GOSISDBHSA-N 0 0 482.467 4.503 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)SC ZINC001545771244 1067057641 /nfs/dbraw/zinc/05/76/41/1067057641.db2.gz JQPRLKXYQGCJPN-IAGOWNOFSA-N 0 0 495.443 4.744 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)C1CCOCC1 ZINC001458425188 1067057698 /nfs/dbraw/zinc/05/76/98/1067057698.db2.gz WCSFFUVZVRVMJW-FQEVSTJZSA-N 0 0 452.334 4.874 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001450182038 1067058005 /nfs/dbraw/zinc/05/80/05/1067058005.db2.gz UTUSMURIJKBJAM-UHFFFAOYSA-N 0 0 452.990 4.694 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)C1CCOCC1 ZINC001458425198 1067057909 /nfs/dbraw/zinc/05/79/09/1067057909.db2.gz WCSFFUVZVRVMJW-HXUWFJFHSA-N 0 0 452.334 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2c2cc(Cl)nc([C@@H]3CCCO3)n2)C1 ZINC001458426056 1067058004 /nfs/dbraw/zinc/05/80/04/1067058004.db2.gz HAQAENXRPPQQAM-KSZLIROESA-N 0 0 451.011 4.988 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545771285 1067057936 /nfs/dbraw/zinc/05/79/36/1067057936.db2.gz KRHSLMPMBJYFLZ-FPOVZHCZSA-N 0 0 474.621 4.894 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CNC(=O)C2)CC1)SC ZINC001545771304 1067058044 /nfs/dbraw/zinc/05/80/44/1067058044.db2.gz LHAYYMAUDTWTSV-SFHVURJKSA-N 0 0 489.661 4.586 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)c1 ZINC001458426606 1067058141 /nfs/dbraw/zinc/05/81/41/1067058141.db2.gz NIICVHJBOZXRMS-OAQYLSRUSA-N 0 0 458.580 4.621 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1)SC ZINC001545771530 1067058722 /nfs/dbraw/zinc/05/87/22/1067058722.db2.gz RLORGZDBRIRGKM-QUCCMNQESA-N 0 0 487.649 4.912 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC([C@@H](O)c4ccc(OC)cc4)CC3)s2)cc1 ZINC001450194697 1067058926 /nfs/dbraw/zinc/05/89/26/1067058926.db2.gz IXMHJWNLVJMWRY-QFIPXVFZSA-N 0 0 452.576 4.722 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(COC(=O)N2)CC1)SC ZINC001545771536 1067059003 /nfs/dbraw/zinc/05/90/03/1067059003.db2.gz RNQWYUZRKUVAIJ-QGZVFWFLSA-N 0 0 491.633 4.558 20 0 JJADRN Cc1nc2cc(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001450199019 1067059298 /nfs/dbraw/zinc/05/92/98/1067059298.db2.gz OPXHHIHGNPNHBD-INIZCTEOSA-N 0 0 456.612 4.878 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001458434287 1067059234 /nfs/dbraw/zinc/05/92/34/1067059234.db2.gz VHHKCCZZARMXKB-CYBMUJFWSA-N 0 0 454.811 4.557 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(-c4ncco4)cc3C)CC2=O)ccc1Br ZINC001450198366 1067059346 /nfs/dbraw/zinc/05/93/46/1067059346.db2.gz AHUGOGBAECUJSQ-MRXNPFEDSA-N 0 0 454.324 4.713 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)C(F)(F)c3ccc(Br)cc3)CC2)cc1 ZINC001450198343 1067059394 /nfs/dbraw/zinc/05/93/94/1067059394.db2.gz OKZOMCOGBMNMKK-IBGZPJMESA-N 0 0 454.311 4.522 20 0 JJADRN O=C(O[C@H](c1cc(Br)cs1)C(F)(F)F)c1cnnn1-c1cccc(F)c1 ZINC001458434788 1067059583 /nfs/dbraw/zinc/05/95/83/1067059583.db2.gz JVVAIOSNMHZSIA-CYBMUJFWSA-N 0 0 450.211 4.691 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)c2c1C ZINC001450201873 1067059723 /nfs/dbraw/zinc/05/97/23/1067059723.db2.gz SDEDTFFTSASTLW-CYBMUJFWSA-N 0 0 452.646 4.600 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)CCc3cc(F)ccc3Br)CC2)cc1 ZINC001450201884 1067059738 /nfs/dbraw/zinc/05/97/38/1067059738.db2.gz WNLMDAWMVPKAEW-JOCHJYFZSA-N 0 0 450.348 4.502 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001458436242 1067059773 /nfs/dbraw/zinc/05/97/73/1067059773.db2.gz BLLFKZVBXIJPEZ-ZBQHJJOKSA-N 0 0 454.998 4.738 20 0 JJADRN CC(C)(C)Sc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1F ZINC001450201313 1067059798 /nfs/dbraw/zinc/05/97/98/1067059798.db2.gz WHJTVBJAPIUHSZ-UHFFFAOYSA-N 0 0 450.601 4.728 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)OC ZINC001545771736 1067059873 /nfs/dbraw/zinc/05/98/73/1067059873.db2.gz YMDIZTQXNTYANC-LJQANCHMSA-N 0 0 460.594 4.912 20 0 JJADRN CC[C@@H](OC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001458437851 1067060071 /nfs/dbraw/zinc/06/00/71/1067060071.db2.gz SPLXGEKSKBOVAF-LJQANCHMSA-N 0 0 455.370 4.706 20 0 JJADRN CCC(CC)(Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC(N)=O)OC ZINC001545771773 1067060097 /nfs/dbraw/zinc/06/00/97/1067060097.db2.gz ZGVFIOXVYTZISE-CQSZACIVSA-N 0 0 464.035 4.719 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1nncn1C)OC ZINC001545771771 1067060182 /nfs/dbraw/zinc/06/01/82/1067060182.db2.gz ZGPLRPOSTKGZGT-SFTDATJTSA-N 0 0 481.645 4.710 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)OC ZINC001545772426 1067060373 /nfs/dbraw/zinc/06/03/73/1067060373.db2.gz AHEHOXJLIPIZID-CALCHBBNSA-N 0 0 478.659 4.506 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)OC)CC1)SC ZINC001545772499 1067060615 /nfs/dbraw/zinc/06/06/15/1067060615.db2.gz CBYPRSRSGGJQRO-UHFFFAOYSA-N 0 0 482.597 4.858 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1)OC ZINC001545772473 1067060712 /nfs/dbraw/zinc/06/07/12/1067060712.db2.gz BLNVOODHVGEBEI-AWEZNQCLSA-N 0 0 457.438 4.590 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)OC ZINC001545772428 1067060760 /nfs/dbraw/zinc/06/07/60/1067060760.db2.gz AHEHOXJLIPIZID-IRXDYDNUSA-N 0 0 478.659 4.506 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC001458440152 1067060966 /nfs/dbraw/zinc/06/09/66/1067060966.db2.gz QHZBIHQFKRTXFF-CJNGLKHVSA-N 0 0 459.637 4.639 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(CC)C1)Oc1ccccc1F ZINC001546020872 1067061168 /nfs/dbraw/zinc/06/11/68/1067061168.db2.gz RSTJZMDUSPTDBL-AJDBGRLRSA-N 0 0 460.594 4.625 20 0 JJADRN CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001450224204 1067061266 /nfs/dbraw/zinc/06/12/66/1067061266.db2.gz IKYBICPBCLZBSG-SANMLTNESA-N 0 0 454.526 4.900 20 0 JJADRN CCN(CCOc1ccccc1C)c1ncnc2c1cnn2-c1cccc(Br)c1 ZINC001458442540 1067061476 /nfs/dbraw/zinc/06/14/76/1067061476.db2.gz DNPPIZBEMCQVNJ-UHFFFAOYSA-N 0 0 452.356 4.792 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)SC ZINC001545772715 1067061594 /nfs/dbraw/zinc/06/15/94/1067061594.db2.gz JUYAELCBERFCCS-INIZCTEOSA-N 0 0 450.052 4.612 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1)OC ZINC001545772764 1067061898 /nfs/dbraw/zinc/06/18/98/1067061898.db2.gz LGFFSJKZMYARMQ-ZDUSSCGKSA-N 0 0 459.479 4.916 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450231706 1067061999 /nfs/dbraw/zinc/06/19/99/1067061999.db2.gz YKOYHXPANDHVEF-QGZVFWFLSA-N 0 0 459.315 4.856 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCc2oncc2C1)NC(=O)OC(C)(C)C ZINC001545772834 1067062186 /nfs/dbraw/zinc/06/21/86/1067062186.db2.gz NSZDIGXABPFTON-UHFFFAOYSA-N 0 0 496.612 4.588 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)OC ZINC001545772826 1067062298 /nfs/dbraw/zinc/06/22/98/1067062298.db2.gz NJAYONKJKMXHSC-SJORKVTESA-N 0 0 495.437 4.915 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)n(C)n2)c1 ZINC001458446129 1067062479 /nfs/dbraw/zinc/06/24/79/1067062479.db2.gz PGGFIOWTRDZCTB-UHFFFAOYSA-N 0 0 452.511 4.831 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)OC ZINC001545772824 1067062371 /nfs/dbraw/zinc/06/23/71/1067062371.db2.gz NJAYONKJKMXHSC-IAGOWNOFSA-N 0 0 495.437 4.915 20 0 JJADRN O=C(NCCc1cc2ccccc2s1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001450240238 1067062906 /nfs/dbraw/zinc/06/29/06/1067062906.db2.gz URGDLTSGQOJXKT-UHFFFAOYSA-N 0 0 454.548 4.814 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC[C@@H]1C)SC ZINC001545772999 1067062976 /nfs/dbraw/zinc/06/29/76/1067062976.db2.gz SRGTXPSOOMFCDN-INIZCTEOSA-N 0 0 450.674 4.826 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)OC ZINC001545773129 1067063551 /nfs/dbraw/zinc/06/35/51/1067063551.db2.gz XSHTVTISMQRPLU-RHSMWYFYSA-N 0 0 460.928 4.960 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545773131 1067063772 /nfs/dbraw/zinc/06/37/72/1067063772.db2.gz XSHTVTISMQRPLU-YOEHRIQHSA-N 0 0 460.928 4.960 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)OC ZINC001545774018 1067064348 /nfs/dbraw/zinc/06/43/48/1067064348.db2.gz BFGIMWAREFNRIS-UTKZUKDTSA-N 0 0 496.483 4.614 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)SC ZINC001545774048 1067064393 /nfs/dbraw/zinc/06/43/93/1067064393.db2.gz CDEHMTLHCQIBSE-LJQANCHMSA-N 0 0 457.648 4.818 20 0 JJADRN COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC ZINC001450251061 1067064451 /nfs/dbraw/zinc/06/44/51/1067064451.db2.gz HCGFPRRTEAMYOS-SLQGVETNSA-N 0 0 458.599 4.603 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450249087 1067064504 /nfs/dbraw/zinc/06/45/04/1067064504.db2.gz GIURITHBFIUPLB-JSXRDJHFSA-N 0 0 464.647 4.630 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)c1 ZINC001450254226 1067064666 /nfs/dbraw/zinc/06/46/66/1067064666.db2.gz JNJPNAGGWNRILM-KRWDZBQOSA-N 0 0 452.555 4.877 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)c2nc(Br)ccc2Br)cc1 ZINC001458451203 1067065019 /nfs/dbraw/zinc/06/50/19/1067065019.db2.gz CFCWNSJQNVDXTL-LBPRGKRZSA-N 0 0 456.178 4.566 20 0 JJADRN CCNc1ncc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001450259439 1067065092 /nfs/dbraw/zinc/06/50/92/1067065092.db2.gz QIMNEFRQUQOLAJ-IAGOWNOFSA-N 0 0 451.011 4.666 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC001450257057 1067065143 /nfs/dbraw/zinc/06/51/43/1067065143.db2.gz KKEFEXNWPIGICY-UHFFFAOYSA-N 0 0 453.329 4.760 20 0 JJADRN C[C@H](CC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450256912 1067065211 /nfs/dbraw/zinc/06/52/11/1067065211.db2.gz JIKGAMITHZRPTI-ZOCZFRKYSA-N 0 0 450.542 4.618 20 0 JJADRN COC(=O)[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1c1ccc(F)cc1F ZINC001458450915 1067065238 /nfs/dbraw/zinc/06/52/38/1067065238.db2.gz YYPJIMRUXGCVHB-QWHCGFSZSA-N 0 0 465.216 4.534 20 0 JJADRN CC(=O)c1cc(F)c(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c(F)c1 ZINC001458450411 1067065384 /nfs/dbraw/zinc/06/53/84/1067065384.db2.gz FNABUQWEFIRNRD-UHFFFAOYSA-N 0 0 459.470 4.804 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC[C@@H]1C)OC ZINC001545774177 1067065721 /nfs/dbraw/zinc/06/57/21/1067065721.db2.gz GEUMRIHHCFBVCL-IBGZPJMESA-N 0 0 454.571 4.547 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451364 1067065811 /nfs/dbraw/zinc/06/58/11/1067065811.db2.gz HFEFGVSNKZCZMH-ROUUACIJSA-N 0 0 458.183 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545774359 1067066393 /nfs/dbraw/zinc/06/63/93/1067066393.db2.gz MWVMGQHFQITGMX-WIYYLYMNSA-N 0 0 487.645 4.934 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC001450267368 1067066526 /nfs/dbraw/zinc/06/65/26/1067066526.db2.gz FJPQDGRAMCEUDN-GUYCJALGSA-N 0 0 457.880 4.882 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC001450263893 1067066639 /nfs/dbraw/zinc/06/66/39/1067066639.db2.gz LNAQMPAYJASZCI-ZDUSSCGKSA-N 0 0 455.864 4.888 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)OC ZINC001545774348 1067066624 /nfs/dbraw/zinc/06/66/24/1067066624.db2.gz MOBGCRCGIXOQJB-JOCHJYFZSA-N 0 0 455.647 4.553 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)SC ZINC001545774415 1067066834 /nfs/dbraw/zinc/06/68/34/1067066834.db2.gz OTNZEJUNYPMFMG-IBGZPJMESA-N 0 0 489.093 4.965 20 0 JJADRN C[C@@H](NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267815 1067066991 /nfs/dbraw/zinc/06/69/91/1067066991.db2.gz GQXCFIQRGKCOTD-YUELXQCFSA-N 0 0 455.864 4.636 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)OC ZINC001545774439 1067067050 /nfs/dbraw/zinc/06/70/50/1067067050.db2.gz PSDXZVCIGYQXKI-XFAGBWLFSA-N 0 0 463.022 4.576 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545774537 1067067228 /nfs/dbraw/zinc/06/72/28/1067067228.db2.gz SCUATJALAYEEFC-UXHICEINSA-N 0 0 487.645 4.793 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)OC ZINC001545774604 1067067792 /nfs/dbraw/zinc/06/77/92/1067067792.db2.gz VCXCJKVALFOVSK-UHFFFAOYSA-N 0 0 495.937 4.570 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cc(C)cn2)CC1)OC ZINC001545774674 1067067840 /nfs/dbraw/zinc/06/78/40/1067067840.db2.gz XNLRVGBCZGKUAL-UHFFFAOYSA-N 0 0 472.037 4.620 20 0 JJADRN COc1ncc(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1Cl ZINC001458460302 1067068486 /nfs/dbraw/zinc/06/84/86/1067068486.db2.gz DGDQHJYEBJXNMV-UHFFFAOYSA-N 0 0 454.535 4.622 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)c2ccccc12 ZINC001458459456 1067068540 /nfs/dbraw/zinc/06/85/40/1067068540.db2.gz DCUWXKJMFISWGZ-UHFFFAOYSA-N 0 0 457.452 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC[C@H]21 ZINC001450275873 1067068420 /nfs/dbraw/zinc/06/84/20/1067068420.db2.gz KWHXDGYVJGRXJV-BZZMCLGOSA-N 0 0 454.489 4.547 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545775576 1067068599 /nfs/dbraw/zinc/06/85/99/1067068599.db2.gz CZSGSIPWNLCLOL-OAQYLSRUSA-N 0 0 451.615 4.950 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC)C1)OC ZINC001545775493 1067068691 /nfs/dbraw/zinc/06/86/91/1067068691.db2.gz AEOXEMNBYKSQFY-MRXNPFEDSA-N 0 0 451.409 4.528 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545775573 1067068707 /nfs/dbraw/zinc/06/87/07/1067068707.db2.gz CZGACKIRCRTSKC-FQEVSTJZSA-N 0 0 487.645 4.652 20 0 JJADRN COc1ccc(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)c(Cl)n1 ZINC001458462326 1067068760 /nfs/dbraw/zinc/06/87/60/1067068760.db2.gz MEXALWKZFHFQGG-UHFFFAOYSA-N 0 0 454.535 4.622 20 0 JJADRN COCCOc1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)nc2ccccc21 ZINC001450281938 1067068835 /nfs/dbraw/zinc/06/88/35/1067068835.db2.gz YSWIWOZWCIOKSP-LBPRGKRZSA-N 0 0 453.848 4.818 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545775701 1067069178 /nfs/dbraw/zinc/06/91/78/1067069178.db2.gz HYHLAFJEFXRTCZ-UZLBHIALSA-N 0 0 477.531 4.855 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1ncccc1NCC1CCC1)Cc1ccccc1 ZINC001450286804 1067069167 /nfs/dbraw/zinc/06/91/67/1067069167.db2.gz YYCURZMWQDZEJL-OAQYLSRUSA-N 0 0 452.599 4.502 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545775775 1067069334 /nfs/dbraw/zinc/06/93/34/1067069334.db2.gz KHGJVOMNEAKIAL-GOSISDBHSA-N 0 0 489.686 4.979 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001450289614 1067069406 /nfs/dbraw/zinc/06/94/06/1067069406.db2.gz ZEDSPMGTUHBBHL-UYAOXDASSA-N 0 0 459.587 4.529 20 0 JJADRN O=C(Nc1cccc(-c2ncco2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001458467749 1067069719 /nfs/dbraw/zinc/06/97/19/1067069719.db2.gz ROOWKBIJTUCODG-UHFFFAOYSA-N 0 0 459.955 4.812 20 0 JJADRN COc1cc(Br)cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001458468119 1067069747 /nfs/dbraw/zinc/06/97/47/1067069747.db2.gz PHYHVLPIIJVQNC-UHFFFAOYSA-N 0 0 458.278 4.727 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC001458467735 1067069800 /nfs/dbraw/zinc/06/98/00/1067069800.db2.gz RKJRPGINPXIWRA-UHFFFAOYSA-N 0 0 454.495 4.520 20 0 JJADRN Cc1c(CNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)cnn1C ZINC001458469188 1067070116 /nfs/dbraw/zinc/07/01/16/1067070116.db2.gz XWFHGNMXSMOXCA-UHFFFAOYSA-N 0 0 451.368 4.888 20 0 JJADRN O=C(Cc1cccc2ncccc12)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458471650 1067070529 /nfs/dbraw/zinc/07/05/29/1067070529.db2.gz SUNMUSLYHAPJHK-UHFFFAOYSA-N 0 0 453.258 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC001458470512 1067070592 /nfs/dbraw/zinc/07/05/92/1067070592.db2.gz DKUJOGYLORXDDP-LJQANCHMSA-N 0 0 453.558 4.518 20 0 JJADRN CN(C)C(=O)OC1CCN(C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC001450301334 1067070672 /nfs/dbraw/zinc/07/06/72/1067070672.db2.gz USXKRBCCJZOHQW-HXUWFJFHSA-N 0 0 451.350 4.803 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001545776195 1067070669 /nfs/dbraw/zinc/07/06/69/1067070669.db2.gz ZGQFCUKMARRGHA-GOSISDBHSA-N 0 0 490.574 4.771 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)C1([C@H]2CCCCO2)CCC1 ZINC001458471689 1067070746 /nfs/dbraw/zinc/07/07/46/1067070746.db2.gz UNCFWHIBYNEGQI-MRXNPFEDSA-N 0 0 450.295 4.702 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001458471847 1067071018 /nfs/dbraw/zinc/07/10/18/1067071018.db2.gz USFVEYZCAFUASS-QFIPXVFZSA-N 0 0 450.489 4.976 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001458472038 1067071048 /nfs/dbraw/zinc/07/10/48/1067071048.db2.gz XEGNYDWQBFIXOR-JKSUJKDBSA-N 0 0 458.274 4.775 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCOC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545777545 1067071663 /nfs/dbraw/zinc/07/16/63/1067071663.db2.gz FCFNHPVHXDKOQO-UHFFFAOYSA-N 0 0 487.620 4.927 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC(O)(c2ccccc2)CC1)SC ZINC001545777546 1067071698 /nfs/dbraw/zinc/07/16/98/1067071698.db2.gz FDUWFONQDDHTDW-UHFFFAOYSA-N 0 0 453.656 4.693 20 0 JJADRN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001450341708 1067071754 /nfs/dbraw/zinc/07/17/54/1067071754.db2.gz CZGNVFOVRKXOOP-MRXNPFEDSA-N 0 0 459.251 4.946 20 0 JJADRN CCOC(=O)c1nc(N2CCN(c3ccc(Cl)cc3Cl)CC2)ccc1Br ZINC001458476976 1067071832 /nfs/dbraw/zinc/07/18/32/1067071832.db2.gz CFWVZSYVBXSEDQ-UHFFFAOYSA-N 0 0 459.171 4.654 20 0 JJADRN COC(=O)Nc1cccc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)c1 ZINC001458478573 1067072014 /nfs/dbraw/zinc/07/20/14/1067072014.db2.gz UKIQJKHLIAUMAM-UHFFFAOYSA-N 0 0 450.442 4.974 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cscn2)CC1)SC ZINC001545777677 1067072032 /nfs/dbraw/zinc/07/20/32/1067072032.db2.gz JSIKZJXLMZMIGU-UHFFFAOYSA-N 0 0 486.711 4.654 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)cs2)cc1 ZINC001450344917 1067072200 /nfs/dbraw/zinc/07/22/00/1067072200.db2.gz KGYRGBYFAGSDAO-SFHVURJKSA-N 0 0 451.375 4.908 20 0 JJADRN Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cn2ccnc12 ZINC001450352730 1067072704 /nfs/dbraw/zinc/07/27/04/1067072704.db2.gz OMQZDGWYIZRSEZ-QGZVFWFLSA-N 0 0 459.344 4.610 20 0 JJADRN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458480544 1067072631 /nfs/dbraw/zinc/07/26/31/1067072631.db2.gz CDBYLJLRWNRCOO-RCCFBDPRSA-N 0 0 457.279 4.815 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC001458481231 1067072837 /nfs/dbraw/zinc/07/28/37/1067072837.db2.gz WKEICAFMTYPJES-HTVHSOAFSA-N 0 0 454.448 4.580 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458480540 1067072853 /nfs/dbraw/zinc/07/28/53/1067072853.db2.gz CDBYLJLRWNRCOO-KZNAEPCWSA-N 0 0 457.279 4.815 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC001450350728 1067072738 /nfs/dbraw/zinc/07/27/38/1067072738.db2.gz UVXOGQGOZAWSMZ-HTAPYJJXSA-N 0 0 453.366 4.583 20 0 JJADRN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)cc2)no1 ZINC001450351833 1067072920 /nfs/dbraw/zinc/07/29/20/1067072920.db2.gz XOCKSHIJQBMZJD-OAHLLOKOSA-N 0 0 456.123 4.874 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545777921 1067072827 /nfs/dbraw/zinc/07/28/27/1067072827.db2.gz QFOOMVAPJVUNHQ-IBGZPJMESA-N 0 0 454.619 4.660 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)OC ZINC001545777968 1067072983 /nfs/dbraw/zinc/07/29/83/1067072983.db2.gz SEFQTMVUCBDWGE-UHFFFAOYSA-N 0 0 497.684 4.778 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001458484142 1067072995 /nfs/dbraw/zinc/07/29/95/1067072995.db2.gz KNAVQALHLFJSRN-JKSUJKDBSA-N 0 0 478.540 4.598 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545778164 1067073267 /nfs/dbraw/zinc/07/32/67/1067073267.db2.gz ZGAQBIINPCRQMZ-UXHICEINSA-N 0 0 486.661 4.675 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545778163 1067073391 /nfs/dbraw/zinc/07/33/91/1067073391.db2.gz ZGAQBIINPCRQMZ-PMACEKPBSA-N 0 0 486.661 4.675 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(OC)cc2)CC1)SC ZINC001545779052 1067073702 /nfs/dbraw/zinc/07/37/02/1067073702.db2.gz ATXQVMGVWUOHHS-UHFFFAOYSA-N 0 0 468.671 4.993 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)SC ZINC001545779172 1067073764 /nfs/dbraw/zinc/07/37/64/1067073764.db2.gz FLBZNFBVVZWBAJ-UHFFFAOYSA-N 0 0 455.550 4.610 20 0 JJADRN Cc1cc(Br)cc(N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001458488931 1067074060 /nfs/dbraw/zinc/07/40/60/1067074060.db2.gz FPKAARHHEPDSNC-TZMCWYRMSA-N 0 0 452.315 4.682 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545779430 1067074090 /nfs/dbraw/zinc/07/40/90/1067074090.db2.gz NZQQTFPOXULOEL-IAGOWNOFSA-N 0 0 462.664 4.687 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(C)c(OC)c2)CCO1 ZINC001546101394 1067074315 /nfs/dbraw/zinc/07/43/15/1067074315.db2.gz CFEJCNPQJGMFRX-WHCXKFMVSA-N 0 0 470.658 4.762 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545779537 1067074443 /nfs/dbraw/zinc/07/44/43/1067074443.db2.gz RGOYHOIEGCBVGV-JXFKEZNVSA-N 0 0 479.547 4.798 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2CCCOC2CCCCC2)CCO1 ZINC001546101397 1067074656 /nfs/dbraw/zinc/07/46/56/1067074656.db2.gz CGKZLQBFJQFLAN-AREMUKBSSA-N 0 0 456.631 4.910 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N(C)c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545779542 1067074623 /nfs/dbraw/zinc/07/46/23/1067074623.db2.gz RHZRPMVAGQCIHM-UHFFFAOYSA-N 0 0 467.618 4.838 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)OC ZINC001545779538 1067074674 /nfs/dbraw/zinc/07/46/74/1067074674.db2.gz RGOYHOIEGCBVGV-OXJNMPFZSA-N 0 0 479.547 4.798 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Oc3cc(C)ccn3)cc2)c1 ZINC001458496671 1067074947 /nfs/dbraw/zinc/07/49/47/1067074947.db2.gz AVMHMEQKIPOJOB-SFHVURJKSA-N 0 0 453.564 4.653 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)c1 ZINC001458496965 1067075025 /nfs/dbraw/zinc/07/50/25/1067075025.db2.gz CMXXDKMBOJXXMV-OAHLLOKOSA-N 0 0 455.605 4.863 20 0 JJADRN COc1cccc(-c2cc(C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)n[nH]2)c1 ZINC001450383994 1067075157 /nfs/dbraw/zinc/07/51/57/1067075157.db2.gz ZJCLTAVYOINIAY-UHFFFAOYSA-N 0 0 452.312 4.501 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)cc1C ZINC001545780105 1067075428 /nfs/dbraw/zinc/07/54/28/1067075428.db2.gz LWOMLCHQLBAMFH-QFIPXVFZSA-N 0 0 456.608 4.716 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2cc(I)ccc2N2CCCCC2)CC12CCC2 ZINC001450392119 1067075420 /nfs/dbraw/zinc/07/54/20/1067075420.db2.gz FHTHPASHEOVTBH-LJQANCHMSA-N 0 0 452.380 4.932 20 0 JJADRN C[C@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Br)s1 ZINC001450387503 1067075443 /nfs/dbraw/zinc/07/54/43/1067075443.db2.gz QTXLTXVLFHEAOJ-AWEZNQCLSA-N 0 0 457.434 4.864 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1 ZINC001458498565 1067075596 /nfs/dbraw/zinc/07/55/96/1067075596.db2.gz FSWSKNDPCNJASJ-GFCCVEGCSA-N 0 0 459.793 4.573 20 0 JJADRN CCc1ccc([C@@H]2CCN(C(=O)c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)C2)cc1 ZINC001450395235 1067075737 /nfs/dbraw/zinc/07/57/37/1067075737.db2.gz KATWCGJXTPQIBC-HSZRJFAPSA-N 0 0 458.558 4.905 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450396648 1067075752 /nfs/dbraw/zinc/07/57/52/1067075752.db2.gz BREILGRIORHJBS-VQTJNVASSA-N 0 0 454.533 4.811 20 0 JJADRN COc1cc2ncc(C(=O)N3CCCCC[C@H]3Cc3ccccc3Cl)c(O)c2c(OC)c1 ZINC001450400131 1067075835 /nfs/dbraw/zinc/07/58/35/1067075835.db2.gz XNLMPDITYUYUNT-KRWDZBQOSA-N 0 0 454.954 4.826 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1 ZINC001458499909 1067075793 /nfs/dbraw/zinc/07/57/93/1067075793.db2.gz HVDGWWXWNUGGPF-KRWDZBQOSA-N 0 0 458.555 4.875 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)SC ZINC001545780660 1067075985 /nfs/dbraw/zinc/07/59/85/1067075985.db2.gz CWSBLUTZHBVNHD-QGZVFWFLSA-N 0 0 470.647 4.547 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545780777 1067076267 /nfs/dbraw/zinc/07/62/67/1067076267.db2.gz HQRPEATZUDJNPP-QGZVFWFLSA-N 0 0 469.590 4.609 20 0 JJADRN C[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(F)cc1OC(F)F ZINC001458504268 1067076836 /nfs/dbraw/zinc/07/68/36/1067076836.db2.gz MBPSPLQJWYCNME-LLVKDONJSA-N 0 0 451.395 4.871 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@H](C)C1)OC ZINC001545781174 1067077054 /nfs/dbraw/zinc/07/70/54/1067077054.db2.gz VNBQNMGYIUMWCD-KDURUIRLSA-N 0 0 466.630 4.533 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(F)cccc1Cl)OC ZINC001545781081 1067077084 /nfs/dbraw/zinc/07/70/84/1067077084.db2.gz RVQBTGGFDQGFAG-UHFFFAOYSA-N 0 0 477.968 4.640 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCC3(c4ccc(C)cc4C)CCCC3)c2)cc1 ZINC001450405851 1067077148 /nfs/dbraw/zinc/07/71/48/1067077148.db2.gz STTCCMDJONJDOE-UHFFFAOYSA-N 0 0 450.604 4.892 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(COC)cc2)CCO1 ZINC001546101494 1067077230 /nfs/dbraw/zinc/07/72/30/1067077230.db2.gz FCBSHWKIXDLBCB-WXVAWEFUSA-N 0 0 499.656 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001450405359 1067077232 /nfs/dbraw/zinc/07/72/32/1067077232.db2.gz GFFZKADDBJKSOO-FORWCCJISA-N 0 0 452.517 4.846 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1C ZINC001450406803 1067077603 /nfs/dbraw/zinc/07/76/03/1067077603.db2.gz KOFMAMAUTOCOQE-IBGZPJMESA-N 0 0 450.457 4.578 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001458505530 1067078029 /nfs/dbraw/zinc/07/80/29/1067078029.db2.gz ZLIAKPGUFUDEKA-JKSUJKDBSA-N 0 0 456.530 4.741 20 0 JJADRN Cc1cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1C[C@@H]1CCCOC1 ZINC001450409291 1067078082 /nfs/dbraw/zinc/07/80/82/1067078082.db2.gz KSOHTBKGBUSYHE-INIZCTEOSA-N 0 0 452.382 4.597 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001450417706 1067078785 /nfs/dbraw/zinc/07/87/85/1067078785.db2.gz UFMHJYNFHZOHGV-FYYLOGMGSA-N 0 0 452.378 4.788 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001546101592 1067079110 /nfs/dbraw/zinc/07/91/10/1067079110.db2.gz GQOPSQFTTATUOF-ZEQRLZLVSA-N 0 0 488.679 4.554 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1)OC ZINC001545783911 1067079215 /nfs/dbraw/zinc/07/92/15/1067079215.db2.gz GLDYSIDNMJCBGH-SFTDATJTSA-N 0 0 493.693 4.603 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cnn(-c2ccccc2)c1Br ZINC001458519834 1067079320 /nfs/dbraw/zinc/07/93/20/1067079320.db2.gz BJTAJICYDYBFMR-FQEVSTJZSA-N 0 0 451.299 4.688 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)C(=O)OC(C)(C)C ZINC001458516521 1067079338 /nfs/dbraw/zinc/07/93/38/1067079338.db2.gz LAHXXVATQKBMQN-JXFKEZNVSA-N 0 0 452.530 4.560 20 0 JJADRN C[C@H]1CC[C@H](OC(=O)c2ccc(Br)c(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC001458516663 1067079629 /nfs/dbraw/zinc/07/96/29/1067079629.db2.gz HYAHGNAHULCQLV-YOEHRIQHSA-N 0 0 452.370 4.620 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784108 1067079570 /nfs/dbraw/zinc/07/95/70/1067079570.db2.gz KWLXRMPXDAIRTL-PMACEKPBSA-N 0 0 463.667 4.882 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N(C)OC1CCCC1)NC(=O)OC(C)(C)C ZINC001545783956 1067079737 /nfs/dbraw/zinc/07/97/37/1067079737.db2.gz HGINPEUBIIEGDU-SFHVURJKSA-N 0 0 465.639 4.566 20 0 JJADRN Cc1nc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)nn1-c1c(Cl)cccc1Cl ZINC001458521893 1067079863 /nfs/dbraw/zinc/07/98/63/1067079863.db2.gz JXUWFDDYLMCXPC-LJQANCHMSA-N 0 0 456.308 4.936 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(Cc3ccc(C(N)=O)cc3F)C3CC3)cs2)cc1 ZINC001450425586 1067079874 /nfs/dbraw/zinc/07/98/74/1067079874.db2.gz UYXNTENKQZFXOU-UHFFFAOYSA-N 0 0 453.539 4.642 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1)SC ZINC001545784200 1067080092 /nfs/dbraw/zinc/08/00/92/1067080092.db2.gz NAFAIJNVYCKREJ-GOSISDBHSA-N 0 0 462.664 4.942 20 0 JJADRN Cc1c(Br)cccc1COC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001458523407 1067080390 /nfs/dbraw/zinc/08/03/90/1067080390.db2.gz VRXNCAUVLVUPCH-UHFFFAOYSA-N 0 0 458.209 4.853 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccs1)C1CC1 ZINC001546022718 1067080403 /nfs/dbraw/zinc/08/04/03/1067080403.db2.gz LLSSWAZRNCDRPE-UHFFFAOYSA-N 0 0 464.433 4.817 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC001458524170 1067080716 /nfs/dbraw/zinc/08/07/16/1067080716.db2.gz XUPCLJSZBGLSQV-HLLBOEOZSA-N 0 0 455.468 4.611 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001546022835 1067080809 /nfs/dbraw/zinc/08/08/09/1067080809.db2.gz OYFBMZNLXONECO-OAQYLSRUSA-N 0 0 468.646 4.573 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)nn1-c1c(Cl)cccc1Cl ZINC001458524306 1067080784 /nfs/dbraw/zinc/08/07/84/1067080784.db2.gz ZVLFXHWHTYYVOY-YCPHGPKFSA-N 0 0 457.452 4.807 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c(C)n1 ZINC001458525793 1067081120 /nfs/dbraw/zinc/08/11/20/1067081120.db2.gz MJLRVBQHLUSOAC-OVTQYCMBSA-N 0 0 457.018 4.746 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)CCC2=O)cc1C ZINC001458526844 1067081155 /nfs/dbraw/zinc/08/11/55/1067081155.db2.gz LGJXJQCDQPOCSJ-QHCPKHFHSA-N 0 0 455.558 4.615 20 0 JJADRN CCCCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)cc1 ZINC001458527443 1067081443 /nfs/dbraw/zinc/08/14/43/1067081443.db2.gz OLLRBIOQROVOLU-FQEVSTJZSA-N 0 0 457.368 4.787 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001546022964 1067081502 /nfs/dbraw/zinc/08/15/02/1067081502.db2.gz RWXAWMRVVURPHN-IMFGXOCKSA-N 0 0 484.563 4.742 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001546022939 1067081518 /nfs/dbraw/zinc/08/15/18/1067081518.db2.gz RHXVKBKFFVWYJM-BBTUJRGHSA-N 0 0 463.022 4.628 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001546022877 1067081547 /nfs/dbraw/zinc/08/15/47/1067081547.db2.gz QAPHWQKPEVDELS-AWEZNQCLSA-N 0 0 464.383 4.923 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001545784766 1067081478 /nfs/dbraw/zinc/08/14/78/1067081478.db2.gz AYZSZOFUUQZDBF-IBGZPJMESA-N 0 0 450.501 4.662 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)[C@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)n2C)cc1 ZINC001450455575 1067081829 /nfs/dbraw/zinc/08/18/29/1067081829.db2.gz ZMGMEMSWBMZLMG-PMACEKPBSA-N 0 0 456.587 4.898 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(N2CCCc3ccccc32)cc1 ZINC001450453678 1067081900 /nfs/dbraw/zinc/08/19/00/1067081900.db2.gz PORKZTUGRPJANN-QFIPXVFZSA-N 0 0 451.364 4.997 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C)CCOCC2)CCO1 ZINC001546101742 1067081897 /nfs/dbraw/zinc/08/18/97/1067081897.db2.gz KDXDAWNVIXQAGM-QHCPKHFHSA-N 0 0 483.440 4.986 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)n2C)cc1 ZINC001450455578 1067082014 /nfs/dbraw/zinc/08/20/14/1067082014.db2.gz ZMGMEMSWBMZLMG-UXHICEINSA-N 0 0 456.587 4.898 20 0 JJADRN C[C@@H](NC(=O)c1ccn(C)c1-c1ccccc1)c1ccc(Br)cc1OCCCO ZINC001450452925 1067082058 /nfs/dbraw/zinc/08/20/58/1067082058.db2.gz VZCIMUGSDADBNF-MRXNPFEDSA-N 0 0 457.368 4.707 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545786154 1067082107 /nfs/dbraw/zinc/08/21/07/1067082107.db2.gz JSZKOORGZKDDAN-MOPGFXCFSA-N 0 0 473.618 4.800 20 0 JJADRN C[C@H](NC(=O)c1ccn(C)c1-c1ccccc1)c1ccc(Br)cc1OCCCO ZINC001450452920 1067082120 /nfs/dbraw/zinc/08/21/20/1067082120.db2.gz VZCIMUGSDADBNF-INIZCTEOSA-N 0 0 457.368 4.707 20 0 JJADRN CCOC(=O)c1nnn(C2CCN(c3nc4c(cc(Cl)cc4F)s3)CC2)c1C(F)F ZINC001458529648 1067082175 /nfs/dbraw/zinc/08/21/75/1067082175.db2.gz HRDWJOAPPHXHKY-UHFFFAOYSA-N 0 0 459.881 4.636 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)SC ZINC001545786455 1067082304 /nfs/dbraw/zinc/08/23/04/1067082304.db2.gz POLDYVRFICAYHI-HZPDHXFCSA-N 0 0 471.092 4.997 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545786231 1067082543 /nfs/dbraw/zinc/08/25/43/1067082543.db2.gz KYXRIRWPLOTCAV-KNKQGSTJSA-N 0 0 499.656 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3ccc(OCC(F)(F)F)o3)cc2C1 ZINC001450467641 1067083320 /nfs/dbraw/zinc/08/33/20/1067083320.db2.gz HYNGABJTEPPVRX-UHFFFAOYSA-N 0 0 456.417 4.603 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450471693 1067083704 /nfs/dbraw/zinc/08/37/04/1067083704.db2.gz MBMAWBLVOWVMTA-VWNXMTODSA-N 0 0 456.533 4.841 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)c2)ccn1 ZINC001450472729 1067083720 /nfs/dbraw/zinc/08/37/20/1067083720.db2.gz MKKJDZMBHNYTAT-UHFFFAOYSA-N 0 0 457.530 4.714 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1)OC ZINC001545788164 1067083848 /nfs/dbraw/zinc/08/38/48/1067083848.db2.gz LGKXUENXMOUJDU-NDEPHWFRSA-N 0 0 483.701 4.553 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545788119 1067083879 /nfs/dbraw/zinc/08/38/79/1067083879.db2.gz JLGHHVSUWMISTD-HXUWFJFHSA-N 0 0 477.694 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC001450479451 1067084273 /nfs/dbraw/zinc/08/42/73/1067084273.db2.gz GJVMWAYXXHLRPO-UHFFFAOYSA-N 0 0 455.368 4.510 20 0 JJADRN C[C@@H](F)CCNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC001450481505 1067084820 /nfs/dbraw/zinc/08/48/20/1067084820.db2.gz IPQCTLKZJYYZBP-OAHLLOKOSA-N 0 0 453.539 4.660 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001458541400 1067084985 /nfs/dbraw/zinc/08/49/85/1067084985.db2.gz JNLHHHQOYFCYCZ-UHFFFAOYSA-N 0 0 451.910 4.560 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1)OC ZINC001545789261 1067085428 /nfs/dbraw/zinc/08/54/28/1067085428.db2.gz AOFJFILGDVUORU-JOCHJYFZSA-N 0 0 488.007 4.840 20 0 JJADRN CC1(C)CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@H](C(F)(F)F)O1 ZINC001450506229 1067085623 /nfs/dbraw/zinc/08/56/23/1067085623.db2.gz ICXLYBBXGZPBPQ-MRXNPFEDSA-N 0 0 451.470 4.697 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)c(C)c3)ccc2C)cc1 ZINC001450510958 1067085739 /nfs/dbraw/zinc/08/57/39/1067085739.db2.gz OZMNLOWUVZJQEW-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545789372 1067085823 /nfs/dbraw/zinc/08/58/23/1067085823.db2.gz FCVNPTJJHNTOSW-UHFFFAOYSA-N 0 0 482.629 4.885 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)CC2)cc1 ZINC001450523106 1067086189 /nfs/dbraw/zinc/08/61/89/1067086189.db2.gz MSDJNAUFHMVYPW-HSZRJFAPSA-N 0 0 457.659 4.880 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(Br)ncc1Cl ZINC001458549738 1067086433 /nfs/dbraw/zinc/08/64/33/1067086433.db2.gz XAIYBCYRDCAILG-ZDUSSCGKSA-N 0 0 452.780 4.994 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC[C@@H]2C)CCO1 ZINC001546102012 1067086553 /nfs/dbraw/zinc/08/65/53/1067086553.db2.gz PIDPYAGHCBCOSL-YGKZAACZSA-N 0 0 483.440 4.842 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)nn1-c1cccc(F)c1 ZINC001450530604 1067086639 /nfs/dbraw/zinc/08/66/39/1067086639.db2.gz BHAHEQVZAWRTTO-RZDIXWSQSA-N 0 0 457.347 4.968 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)SC ZINC001545789945 1067087063 /nfs/dbraw/zinc/08/70/63/1067087063.db2.gz ZJOROCOHEMKPFP-UHFFFAOYSA-N 0 0 498.741 4.805 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC001450532790 1067087050 /nfs/dbraw/zinc/08/70/50/1067087050.db2.gz KSXFTENTOMSCCM-WNHJNPCNSA-N 0 0 451.405 4.895 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(O)c2)CC1)SC ZINC001545790931 1067087469 /nfs/dbraw/zinc/08/74/69/1067087469.db2.gz BLTGVEJQVHHTHC-UHFFFAOYSA-N 0 0 486.711 4.588 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001545790214 1067087573 /nfs/dbraw/zinc/08/75/73/1067087573.db2.gz GSAAXRPTPUXWAD-SFHVURJKSA-N 0 0 456.608 4.992 20 0 JJADRN CS(=O)(=O)Cc1cccc(C(=O)O[C@@H](c2cc(Br)cs2)C(F)(F)F)c1 ZINC001458561633 1067087648 /nfs/dbraw/zinc/08/76/48/1067087648.db2.gz INXHKGVIFZEPRU-ZDUSSCGKSA-N 0 0 457.289 4.516 20 0 JJADRN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccc(OC(F)F)c1 ZINC001458558689 1067087706 /nfs/dbraw/zinc/08/77/06/1067087706.db2.gz QUTZKCUKTQUPDL-CYBMUJFWSA-N 0 0 459.898 4.644 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)SC ZINC001545791089 1067088067 /nfs/dbraw/zinc/08/80/67/1067088067.db2.gz HKDQEPBMSUFTMR-UHFFFAOYSA-N 0 0 493.725 4.719 20 0 JJADRN CC(C)CSCCNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001458565769 1067088293 /nfs/dbraw/zinc/08/82/93/1067088293.db2.gz XDKLOLXNBFNRBP-UHFFFAOYSA-N 0 0 451.017 4.778 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)OC ZINC001545791126 1067088365 /nfs/dbraw/zinc/08/83/65/1067088365.db2.gz HXUVJSVYRBMZAM-OXJNMPFZSA-N 0 0 479.547 4.711 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)SC ZINC001545791152 1067088473 /nfs/dbraw/zinc/08/84/73/1067088473.db2.gz IZJKXBLXESGRHG-GOSISDBHSA-N 0 0 490.699 4.937 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)OC ZINC001545791330 1067088887 /nfs/dbraw/zinc/08/88/87/1067088887.db2.gz OLTOJWAGTUJRMK-FQEVSTJZSA-N 0 0 474.593 4.665 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)SC ZINC001545791530 1067089167 /nfs/dbraw/zinc/08/91/67/1067089167.db2.gz WLNXNUBGSFRGJS-GOSISDBHSA-N 0 0 492.740 4.898 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545791512 1067089182 /nfs/dbraw/zinc/08/91/82/1067089182.db2.gz VNGSKEGEBHICLI-OAQYLSRUSA-N 0 0 477.694 4.957 20 0 JJADRN CCOC(=O)CN(C(=O)COc1ccc(Br)cc1Cl)[C@H](C)c1ccccc1 ZINC001458570138 1067089381 /nfs/dbraw/zinc/08/93/81/1067089381.db2.gz UDSQMZKKCVAXHQ-CQSZACIVSA-N 0 0 454.748 4.634 20 0 JJADRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001450550449 1067090157 /nfs/dbraw/zinc/09/01/57/1067090157.db2.gz UMKHRUHVLHMVGD-UHFFFAOYSA-N 0 0 450.926 4.895 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1)OC ZINC001545792516 1067090131 /nfs/dbraw/zinc/09/01/31/1067090131.db2.gz CFRXKFGDTIPQGU-DEOSSOPVSA-N 0 0 471.671 4.802 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450551228 1067090259 /nfs/dbraw/zinc/09/02/59/1067090259.db2.gz KATZTTRSEKOQOW-QAPCUYQASA-N 0 0 457.398 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(Br)c(C(F)(F)F)n3)C[C@]2(C)C1 ZINC001458576620 1067090317 /nfs/dbraw/zinc/09/03/17/1067090317.db2.gz BZYMGEPSUPOHCR-APPDUMDISA-N 0 0 450.299 4.556 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)OC ZINC001545792676 1067090374 /nfs/dbraw/zinc/09/03/74/1067090374.db2.gz IQFMZJSVAZLBGE-IRLDBZIGSA-N 0 0 486.613 4.608 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C)SC ZINC001545792580 1067090541 /nfs/dbraw/zinc/09/05/41/1067090541.db2.gz FWSXSJDGZGCPND-FQEVSTJZSA-N 0 0 487.714 4.878 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)SC ZINC001545792528 1067090585 /nfs/dbraw/zinc/09/05/85/1067090585.db2.gz DBXYTBBICDTYDT-NRFANRHFSA-N 0 0 472.699 4.953 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458585202 1067091001 /nfs/dbraw/zinc/09/10/01/1067091001.db2.gz IXLHPOGLIYTLGN-INIZCTEOSA-N 0 0 455.700 4.996 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1)OC ZINC001545792866 1067091136 /nfs/dbraw/zinc/09/11/36/1067091136.db2.gz PDKXAIMVEWKKPT-QFIPXVFZSA-N 0 0 480.657 4.797 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)SC ZINC001545792812 1067091168 /nfs/dbraw/zinc/09/11/68/1067091168.db2.gz NBMOTEGUCGXGQO-LJQANCHMSA-N 0 0 490.743 4.780 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1)OC ZINC001545792883 1067091329 /nfs/dbraw/zinc/09/13/29/1067091329.db2.gz PQEORQRQRIRMDA-HSZRJFAPSA-N 0 0 450.631 4.647 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cccc(C)c2)C1)OC ZINC001545792959 1067091589 /nfs/dbraw/zinc/09/15/89/1067091589.db2.gz SAAFWWICSYWRIN-NRFANRHFSA-N 0 0 481.666 4.777 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CC[C@@](CO)(C(C)C)C1 ZINC001450565000 1067091767 /nfs/dbraw/zinc/09/17/67/1067091767.db2.gz ZSIIQCPQAJJNMG-OAQYLSRUSA-N 0 0 457.562 4.814 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cccc(C)c1)OC ZINC001545793120 1067091817 /nfs/dbraw/zinc/09/18/17/1067091817.db2.gz WXOFYNKKBXAQIY-QHCPKHFHSA-N 0 0 450.631 4.995 20 0 JJADRN CCCc1c(C(=O)OCc2cn(-c3ccc(F)cc3Cl)nn2)cnn1-c1ccccc1C ZINC001458597263 1067092166 /nfs/dbraw/zinc/09/21/66/1067092166.db2.gz AFOALQRZQBRZJU-UHFFFAOYSA-N 0 0 453.905 4.863 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccs1)OC ZINC001545793178 1067092138 /nfs/dbraw/zinc/09/21/38/1067092138.db2.gz YIKHCSACHRNVJV-KRWDZBQOSA-N 0 0 473.668 4.878 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001546024364 1067092155 /nfs/dbraw/zinc/09/21/55/1067092155.db2.gz CCQKTLKLZDDYFS-UHFFFAOYSA-N 0 0 464.488 4.590 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC001458599371 1067092529 /nfs/dbraw/zinc/09/25/29/1067092529.db2.gz XMEUIHJCDZHZRF-NRFANRHFSA-N 0 0 456.876 4.733 20 0 JJADRN C[C@H](NC(=O)CCC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccc(Br)cc1F ZINC001450593062 1067092584 /nfs/dbraw/zinc/09/25/84/1067092584.db2.gz DQPPZFDJSGKAPY-FHDQPZTMSA-N 0 0 455.368 4.945 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001450594624 1067092602 /nfs/dbraw/zinc/09/26/02/1067092602.db2.gz HQDZFRJJAZAADP-ZAACQVCWSA-N 0 0 487.641 4.842 20 0 JJADRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458602206 1067093065 /nfs/dbraw/zinc/09/30/65/1067093065.db2.gz CDAQKHMNZKADGH-CYBMUJFWSA-N 0 0 459.461 4.983 20 0 JJADRN COc1c(Br)cccc1C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458602174 1067093146 /nfs/dbraw/zinc/09/31/46/1067093146.db2.gz BXBYNGXCKJBMEP-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1)OC ZINC001545794670 1067093221 /nfs/dbraw/zinc/09/32/21/1067093221.db2.gz KKUXLLRBLFJPTK-FQEVSTJZSA-N 0 0 470.593 4.548 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545794695 1067093423 /nfs/dbraw/zinc/09/34/23/1067093423.db2.gz LOPRTMRQUVIGEF-RBUKOAKNSA-N 0 0 465.683 4.910 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS(=O)CC1)SC ZINC001545794692 1067093437 /nfs/dbraw/zinc/09/34/37/1067093437.db2.gz LIMPNSKZIFWSEU-UHFFFAOYSA-N 0 0 491.510 4.654 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1nnn(-c2ccccc2)c1C(F)F ZINC001458605034 1067093357 /nfs/dbraw/zinc/09/33/57/1067093357.db2.gz JROAVLPLATZFCC-IBGZPJMESA-N 0 0 453.880 4.967 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC001458604045 1067093388 /nfs/dbraw/zinc/09/33/88/1067093388.db2.gz GNVXZFQULKKZTK-UHFFFAOYSA-N 0 0 456.886 4.819 20 0 JJADRN COc1ccc(C[C@@](C)(O)CNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1OC ZINC001450601527 1067093790 /nfs/dbraw/zinc/09/37/90/1067093790.db2.gz VWUGHFQTSXNERA-OAQYLSRUSA-N 0 0 454.375 4.949 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458606902 1067093748 /nfs/dbraw/zinc/09/37/48/1067093748.db2.gz MIBFYHDPZDXBEN-KUHUBIRLSA-N 0 0 459.461 4.692 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)cc1Br)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001458608173 1067093805 /nfs/dbraw/zinc/09/38/05/1067093805.db2.gz IORUUOSZIJIKIY-CQSZACIVSA-N 0 0 455.274 4.959 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3Br)CC2=O)ccc1F ZINC001458608840 1067094231 /nfs/dbraw/zinc/09/42/31/1067094231.db2.gz KKDXMDOYOJEPCT-LLVKDONJSA-N 0 0 459.237 4.907 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1O ZINC001450601522 1067094158 /nfs/dbraw/zinc/09/41/58/1067094158.db2.gz RXWPEGWGXANFQK-KRWDZBQOSA-N 0 0 452.429 4.818 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)cc1 ZINC001450605308 1067094457 /nfs/dbraw/zinc/09/44/57/1067094457.db2.gz KQXWHQPRNUKVLN-MSYGRNIXSA-N 0 0 457.412 4.591 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H]2CSC)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545795144 1067094899 /nfs/dbraw/zinc/09/48/99/1067094899.db2.gz ZMOFGGIXBWZENH-KRWDZBQOSA-N 0 0 453.697 4.991 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)OC ZINC001545795136 1067094916 /nfs/dbraw/zinc/09/49/16/1067094916.db2.gz YWHNDIVWBLXCGE-NRFANRHFSA-N 0 0 470.593 4.548 20 0 JJADRN O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450608940 1067095114 /nfs/dbraw/zinc/09/51/14/1067095114.db2.gz NUPSMZMDOBJPCE-VGSWGCGISA-N 0 0 450.348 4.719 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450608488 1067095244 /nfs/dbraw/zinc/09/52/44/1067095244.db2.gz MJQCJLLNYMCHCN-HRAATJIYSA-N 0 0 457.920 4.912 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@H](C)CC(=O)OCc1ccccc1 ZINC001545795403 1067095297 /nfs/dbraw/zinc/09/52/97/1067095297.db2.gz GBALNXCKCHLXGB-OAHLLOKOSA-N 0 0 454.910 4.746 20 0 JJADRN CCC(CC)(Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)SC ZINC001545796409 1067095370 /nfs/dbraw/zinc/09/53/70/1067095370.db2.gz FHURNWAFRMJABF-AUSIDOKSSA-N 0 0 470.749 4.818 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795377 1067095383 /nfs/dbraw/zinc/09/53/83/1067095383.db2.gz FQUPJUHOAARJQY-LEWJYISDSA-N 0 0 452.595 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(-n4cccn4)cc3)n2)CC1 ZINC001450610155 1067095379 /nfs/dbraw/zinc/09/53/79/1067095379.db2.gz OYUIZVWEHHIOCG-UHFFFAOYSA-N 0 0 453.568 4.696 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1OCC ZINC001545795378 1067095478 /nfs/dbraw/zinc/09/54/78/1067095478.db2.gz FQUPJUHOAARJQY-NHCUHLMSSA-N 0 0 452.595 4.568 20 0 JJADRN C[C@H](OC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612632 1067095469 /nfs/dbraw/zinc/09/54/69/1067095469.db2.gz CCDHXZRWCLWWLL-HRSCSKTISA-N 0 0 454.489 4.951 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001458614458 1067096071 /nfs/dbraw/zinc/09/60/71/1067096071.db2.gz NOKWHUAMMSWKOE-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)c1nccn(C(F)F)c1=O ZINC001458613531 1067096213 /nfs/dbraw/zinc/09/62/13/1067096213.db2.gz CTVHGUSMOFCCFN-UHFFFAOYSA-N 0 0 454.246 4.969 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1)OC ZINC001545796662 1067096613 /nfs/dbraw/zinc/09/66/13/1067096613.db2.gz LMLRJZCVIPRLLV-XZOQPEGZSA-N 0 0 471.621 4.836 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2C2(CCC2)C1)OC ZINC001545796738 1067096669 /nfs/dbraw/zinc/09/66/69/1067096669.db2.gz NZOLRIVJGIUPCD-HSZRJFAPSA-N 0 0 467.658 4.700 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001450622828 1067096653 /nfs/dbraw/zinc/09/66/53/1067096653.db2.gz KQPJWTPESIHHMR-RBBKRZOGSA-N 0 0 450.336 4.610 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001450620633 1067096732 /nfs/dbraw/zinc/09/67/32/1067096732.db2.gz GPFJDNQQWXEGBE-HWTGORDPSA-N 0 0 450.579 4.781 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C)=C(Br)C1 ZINC001546024540 1067096891 /nfs/dbraw/zinc/09/68/91/1067096891.db2.gz IRXPDUKMVWRTGV-UHFFFAOYSA-N 0 0 485.430 4.765 20 0 JJADRN COCCC1(C)CN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 ZINC001450624769 1067097365 /nfs/dbraw/zinc/09/73/65/1067097365.db2.gz HEZOXIYPYOAXKX-UHFFFAOYSA-N 0 0 451.592 4.990 20 0 JJADRN O=C(c1cc(Br)ncc1Cl)N(CCCOc1ccccc1)C1CCOCC1 ZINC001458620686 1067097359 /nfs/dbraw/zinc/09/73/59/1067097359.db2.gz GHBOPYNMBKDYCN-UHFFFAOYSA-N 0 0 453.764 4.588 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001545797906 1067097417 /nfs/dbraw/zinc/09/74/17/1067097417.db2.gz BWWOWTHTVGJPII-LADGPHEKSA-N 0 0 467.662 4.780 20 0 JJADRN CC(C)c1ccnc(N2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)n1 ZINC001458622435 1067097517 /nfs/dbraw/zinc/09/75/17/1067097517.db2.gz FRPPYGQNPVGGBH-UHFFFAOYSA-N 0 0 450.970 4.795 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C4CC4)ccn3)c2)cc1 ZINC001450631274 1067097760 /nfs/dbraw/zinc/09/77/60/1067097760.db2.gz WCYGEPJWLQNJRV-UHFFFAOYSA-N 0 0 451.548 4.719 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3[C@H](C)CN(c4ccc(C(F)(F)F)cc4)C[C@@H]3C)[nH]n2)cc1 ZINC001450630452 1067097849 /nfs/dbraw/zinc/09/78/49/1067097849.db2.gz RZFBIPYUPFQZTJ-IYBDPMFKSA-N 0 0 458.484 4.844 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1)OC ZINC001545797967 1067098044 /nfs/dbraw/zinc/09/80/44/1067098044.db2.gz CQSHYLAUULPJSA-NRFANRHFSA-N 0 0 494.055 4.998 20 0 JJADRN O=C(NCCCn1cc(Br)cn1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC001450636008 1067098053 /nfs/dbraw/zinc/09/80/53/1067098053.db2.gz UZBUGJCSMRSMMM-UHFFFAOYSA-N 0 0 457.353 4.849 20 0 JJADRN CON(C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)[C@@H](C)c1ccccc1C ZINC001450640186 1067098180 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C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC001450759176 1067117065 /nfs/dbraw/zinc/11/70/65/1067117065.db2.gz FWGCSRYNLLLSKH-AEMJNJESSA-N 0 0 458.986 4.529 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001546026043 1067117441 /nfs/dbraw/zinc/11/74/41/1067117441.db2.gz AYDAMUKQURPMLN-UHFFFAOYSA-N 0 0 464.397 4.713 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C(C)C)C1 ZINC001546026057 1067117696 /nfs/dbraw/zinc/11/76/96/1067117696.db2.gz BGFRZKHWRBMDQB-IBGZPJMESA-N 0 0 453.052 4.736 20 0 JJADRN CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001458724734 1067118217 /nfs/dbraw/zinc/11/82/17/1067118217.db2.gz DHYALHDPZRPTQS-UHFFFAOYSA-N 0 0 455.603 4.993 20 0 JJADRN Cc1cc(N2CC[C@H](NC(=O)[C@H](CCc3ccccc3)C(C)C)C2=O)ccc1Br ZINC001458725932 1067118815 /nfs/dbraw/zinc/11/88/15/1067118815.db2.gz OORXZRQJKDVOLN-IRLDBZIGSA-N 0 0 457.412 4.884 20 0 JJADRN C[C@H](SCC(=O)NCCc1c[nH]c2cccc(Br)c12)c1nc2ccccc2[nH]1 ZINC001450779540 1067119813 /nfs/dbraw/zinc/11/98/13/1067119813.db2.gz JSEBGSRKHUJSTG-ZDUSSCGKSA-N 0 0 457.397 4.960 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001546026124 1067119842 /nfs/dbraw/zinc/11/98/42/1067119842.db2.gz DAANVRWLMGYDIM-SJLPKXTDSA-N 0 0 453.002 4.930 20 0 JJADRN CCc1sc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)cc1Br ZINC001458728315 1067120199 /nfs/dbraw/zinc/12/01/99/1067120199.db2.gz KOGLLGJJDJTBQF-RHSMWYFYSA-N 0 0 450.398 4.855 20 0 JJADRN CSc1ccc([C@@H]2N=C(SCC(=O)C3(Cl)CC3)NC(C)=C2C(=O)OC(C)C)cc1 ZINC001458728601 1067120976 /nfs/dbraw/zinc/12/09/76/1067120976.db2.gz JNMSLMPEUJWSDK-SFHVURJKSA-N 0 0 453.029 4.708 20 0 JJADRN CSc1ccc([C@H]2N=C(SCC(=O)C3(Cl)CC3)NC(C)=C2C(=O)OC(C)C)cc1 ZINC001458728594 1067121078 /nfs/dbraw/zinc/12/10/78/1067121078.db2.gz JNMSLMPEUJWSDK-GOSISDBHSA-N 0 0 453.029 4.708 20 0 JJADRN CCc1c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cnn1C1CCCC1 ZINC001450786870 1067121154 /nfs/dbraw/zinc/12/11/54/1067121154.db2.gz XYHNVJDFMVNTNG-UHFFFAOYSA-N 0 0 452.580 4.755 20 0 JJADRN O=C(CCc1cccc(Br)c1)NCCc1c[nH]c2cccc(Br)c12 ZINC001450785207 1067121172 /nfs/dbraw/zinc/12/11/72/1067121172.db2.gz RNWWCDKKGGAMCV-UHFFFAOYSA-N 0 0 450.174 4.984 20 0 JJADRN CCn1c(SCC(=O)NCCOc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O ZINC001458730035 1067122251 /nfs/dbraw/zinc/12/22/51/1067122251.db2.gz KDZFFTHXVZIQOM-UHFFFAOYSA-N 0 0 459.637 4.505 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC001458732107 1067123579 /nfs/dbraw/zinc/12/35/79/1067123579.db2.gz ZJEWSIDHAPUCRJ-NRFANRHFSA-N 0 0 453.380 4.617 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C)c1ccccc1 ZINC001458732114 1067123586 /nfs/dbraw/zinc/12/35/86/1067123586.db2.gz OAPCRHSIJBSYEN-CQSZACIVSA-N 0 0 455.634 4.687 20 0 JJADRN Cc1sc(Br)nc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC001545807019 1067123551 /nfs/dbraw/zinc/12/35/51/1067123551.db2.gz XLYRCXZNVJWDIO-MRXNPFEDSA-N 0 0 457.353 4.510 20 0 JJADRN CCC[C@H]1CN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CCO1 ZINC001545806980 1067123582 /nfs/dbraw/zinc/12/35/82/1067123582.db2.gz WNGJYDNRUIQTII-NSHDSACASA-N 0 0 452.811 4.518 20 0 JJADRN COc1ccc([C@H](CCO)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 ZINC001545806928 1067123649 /nfs/dbraw/zinc/12/36/49/1067123649.db2.gz VHORCPRFQCTZLL-IBGZPJMESA-N 0 0 455.967 4.911 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC001458735488 1067124172 /nfs/dbraw/zinc/12/41/72/1067124172.db2.gz TURDPTHPUBVLDV-BFMBIBTESA-N 0 0 454.636 4.939 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC001458735498 1067124801 /nfs/dbraw/zinc/12/48/01/1067124801.db2.gz TURDPTHPUBVLDV-QXWFJRNPSA-N 0 0 454.636 4.939 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cccc(Br)c1Cl ZINC001458733649 1067124855 /nfs/dbraw/zinc/12/48/55/1067124855.db2.gz OPFGRRRBILMGKK-KSSFIOAISA-N 0 0 450.760 4.884 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001546026410 1067125680 /nfs/dbraw/zinc/12/56/80/1067125680.db2.gz NXMKNHDXOHEFST-UHFFFAOYSA-N 0 0 489.451 4.827 20 0 JJADRN CCC(CC)(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)OC ZINC001458736562 1067126047 /nfs/dbraw/zinc/12/60/47/1067126047.db2.gz UVXRSPMFABURPY-UHFFFAOYSA-N 0 0 458.967 4.680 20 0 JJADRN COc1ccc(-n2c(SC[C@H](C)O)nnc2-c2ccc(Br)cc2)cc1Cl ZINC001458736200 1067126232 /nfs/dbraw/zinc/12/62/32/1067126232.db2.gz ROBYPFCKIWRLKV-NSHDSACASA-N 0 0 454.777 4.832 20 0 JJADRN COC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1cccc(Cl)c1 ZINC001450824736 1067126271 /nfs/dbraw/zinc/12/62/71/1067126271.db2.gz INGBULBXDPHXEL-QFIPXVFZSA-N 0 0 458.967 4.567 20 0 JJADRN COc1ccc(CC(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1OC(F)F ZINC001458738116 1067127048 /nfs/dbraw/zinc/12/70/48/1067127048.db2.gz ZGPUARIESDCEKR-UHFFFAOYSA-N 0 0 452.295 4.918 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001546026537 1067127096 /nfs/dbraw/zinc/12/70/96/1067127096.db2.gz RIIDEMKZGFMLOR-UHFFFAOYSA-N 0 0 499.656 4.811 20 0 JJADRN CC(C)N(C)C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 ZINC001458738633 1067127556 /nfs/dbraw/zinc/12/75/56/1067127556.db2.gz YIBDEJQIZXMHEE-CQSZACIVSA-N 0 0 459.612 4.813 20 0 JJADRN C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450831948 1067127636 /nfs/dbraw/zinc/12/76/36/1067127636.db2.gz DRYGESATTGNHIQ-CABCVRRESA-N 0 0 458.496 4.885 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC001546103140 1067128257 /nfs/dbraw/zinc/12/82/57/1067128257.db2.gz AVTJEGBIQLNGKX-KZNAEPCWSA-N 0 0 480.078 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCC(=O)N(CCCc2ccccc2)c2ccccc2)CC1 ZINC001450834129 1067128359 /nfs/dbraw/zinc/12/83/59/1067128359.db2.gz HOIGLNLPPPNJMH-UHFFFAOYSA-N 0 0 451.611 4.595 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCCC2)C1 ZINC001546026661 1067128371 /nfs/dbraw/zinc/12/83/71/1067128371.db2.gz WOOXCDYOHCZNBJ-UHFFFAOYSA-N 0 0 477.447 4.717 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)n1 ZINC001450834000 1067128378 /nfs/dbraw/zinc/12/83/78/1067128378.db2.gz ZGQYTGHNLMGCRZ-UHFFFAOYSA-N 0 0 454.321 4.619 20 0 JJADRN Cc1ccnc(C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(F)cc2F)c1 ZINC001458739530 1067128408 /nfs/dbraw/zinc/12/84/08/1067128408.db2.gz ZNHFMYUFLYYVQM-UHFFFAOYSA-N 0 0 457.889 4.996 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001450836502 1067128786 /nfs/dbraw/zinc/12/87/86/1067128786.db2.gz VXOHUDXEEZWNRI-MOPGFXCFSA-N 0 0 457.398 4.918 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)C1 ZINC001546103174 1067128921 /nfs/dbraw/zinc/12/89/21/1067128921.db2.gz CANUUELMIOJAMJ-UHFFFAOYSA-N 0 0 487.435 4.975 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001458742659 1067128925 /nfs/dbraw/zinc/12/89/25/1067128925.db2.gz YZLGETZPLVKYGW-DNVCBOLYSA-N 0 0 456.514 4.870 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001546103181 1067129580 /nfs/dbraw/zinc/12/95/80/1067129580.db2.gz CCEVDVHSWUXWCE-CTNGQTDRSA-N 0 0 471.621 4.832 20 0 JJADRN C[C@@H]1Oc2c(cccc2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)NC1=O ZINC001450840236 1067130299 /nfs/dbraw/zinc/13/02/99/1067130299.db2.gz YDFSCNDSEAMSPL-KSFYIVLOSA-N 0 0 450.922 4.747 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001450840352 1067130329 /nfs/dbraw/zinc/13/03/29/1067130329.db2.gz IBUOMOUXYVHTCW-SJLPKXTDSA-N 0 0 459.612 4.653 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O ZINC001458746327 1067130335 /nfs/dbraw/zinc/13/03/35/1067130335.db2.gz YQNMWMYLRXHEAK-IGKOUFLQSA-N 0 0 455.382 4.764 20 0 JJADRN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)c1cc(F)ccc1F ZINC001458748981 1067130981 /nfs/dbraw/zinc/13/09/81/1067130981.db2.gz DDADHINXOMPUKU-KRWDZBQOSA-N 0 0 456.562 4.954 20 0 JJADRN CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC001458748637 1067131021 /nfs/dbraw/zinc/13/10/21/1067131021.db2.gz BTTOTNKCTSCSHE-OAQYLSRUSA-N 0 0 458.990 4.948 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450849073 1067131716 /nfs/dbraw/zinc/13/17/16/1067131716.db2.gz MOTHHBSVGHFYHJ-UKRRQHHQSA-N 0 0 450.377 4.553 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001546026755 1067131824 /nfs/dbraw/zinc/13/18/24/1067131824.db2.gz ZWHWOHYCQXMKLU-IBGZPJMESA-N 0 0 463.022 4.554 20 0 JJADRN CCc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC001458753473 1067132086 /nfs/dbraw/zinc/13/20/86/1067132086.db2.gz XGPWDSDUIHYSOW-UHFFFAOYSA-N 0 0 451.979 4.999 20 0 JJADRN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccc2c(c1)CCCC2 ZINC001458754960 1067132094 /nfs/dbraw/zinc/13/20/94/1067132094.db2.gz DXFNOXLPSQTPED-UHFFFAOYSA-N 0 0 456.995 4.940 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001450858452 1067133075 /nfs/dbraw/zinc/13/30/75/1067133075.db2.gz OPBYCJASYKBDPF-NZQKXSOJSA-N 0 0 456.583 4.974 20 0 JJADRN Cc1ccsc1CCCC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001450860763 1067133176 /nfs/dbraw/zinc/13/31/76/1067133176.db2.gz QANWZZLHCDLCMD-UGKGYDQZSA-N 0 0 450.645 4.690 20 0 JJADRN COc1ccc(Cc2nnc(SCCC(=O)Nc3ccc(N(C)C(C)C)c(F)c3)o2)cc1 ZINC001458760300 1067133504 /nfs/dbraw/zinc/13/35/04/1067133504.db2.gz RTBTZLBJIVXWJE-UHFFFAOYSA-N 0 0 458.559 4.774 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458759683 1067133534 /nfs/dbraw/zinc/13/35/34/1067133534.db2.gz KZFIQEDDSIHBAH-PTUXOGIPSA-N 0 0 458.961 4.710 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458759689 1067133558 /nfs/dbraw/zinc/13/35/58/1067133558.db2.gz KZFIQEDDSIHBAH-WTIAFYNJSA-N 0 0 458.961 4.710 20 0 JJADRN CC(C)Oc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccn1 ZINC001546026865 1067133609 /nfs/dbraw/zinc/13/36/09/1067133609.db2.gz DMLWBYXIWLJBJO-RPLLCQBOSA-N 0 0 457.574 4.665 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC001450888136 1067133771 /nfs/dbraw/zinc/13/37/71/1067133771.db2.gz CXVLCHKTDWBMOS-RUZDIDTESA-N 0 0 451.592 4.821 20 0 JJADRN CC(C)Oc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccn1 ZINC001546026864 1067133922 /nfs/dbraw/zinc/13/39/22/1067133922.db2.gz DMLWBYXIWLJBJO-IGKIAQTJSA-N 0 0 457.574 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Nc3cc(O)c(F)cc3F)s2)CC1 ZINC001450894575 1067133939 /nfs/dbraw/zinc/13/39/39/1067133939.db2.gz HXWKKTFDPXKONX-UHFFFAOYSA-N 0 0 453.511 4.569 20 0 JJADRN Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)s1 ZINC001458761489 1067134034 /nfs/dbraw/zinc/13/40/34/1067134034.db2.gz HIXGGMZEIMPDAY-LBPRGKRZSA-N 0 0 459.369 4.661 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001458762914 1067134052 /nfs/dbraw/zinc/13/40/52/1067134052.db2.gz NYIQCIHFPQPXCB-HQMSXXKGSA-N 0 0 458.599 4.935 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001458762930 1067134189 /nfs/dbraw/zinc/13/41/89/1067134189.db2.gz NYIQCIHFPQPXCB-YKWDRNOUSA-N 0 0 458.599 4.935 20 0 JJADRN Cc1ccc(C[C@@H](CO)NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C ZINC001450902190 1067134680 /nfs/dbraw/zinc/13/46/80/1067134680.db2.gz JDAWZBUVSNICIC-YADHBBJMSA-N 0 0 452.595 4.642 20 0 JJADRN CC(C)Oc1cc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c32)ccn1 ZINC001546027106 1067134722 /nfs/dbraw/zinc/13/47/22/1067134722.db2.gz NGAJDQGUQKIDFS-UHFFFAOYSA-N 0 0 450.589 4.949 20 0 JJADRN Cc1ccc(-c2[nH]nc(NC(=O)[C@@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)c2C)o1 ZINC001450897292 1067134748 /nfs/dbraw/zinc/13/47/48/1067134748.db2.gz FKIXUKRFPFAVPF-VWLOTQADSA-N 0 0 450.539 4.804 20 0 JJADRN CCOc1ccc(-n2c(SC[C@@H]3CCCN(C)C3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC001458764757 1067134817 /nfs/dbraw/zinc/13/48/17/1067134817.db2.gz CEKHIPRHHWHCTH-KRWDZBQOSA-N 0 0 456.999 4.947 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001458764850 1067135385 /nfs/dbraw/zinc/13/53/85/1067135385.db2.gz BCTSSAXOSDFKBG-UHFFFAOYSA-N 0 0 452.393 4.905 20 0 JJADRN CN(C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458766960 1067135421 /nfs/dbraw/zinc/13/54/21/1067135421.db2.gz WOGJKQMPIGLOAS-TZRRMPRUSA-N 0 0 454.542 4.696 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCC(=O)[C@H]3CCOC3)n2-c2ccccc2C)cc1 ZINC001458766722 1067135449 /nfs/dbraw/zinc/13/54/49/1067135449.db2.gz GXLREEATGLROBN-FQEVSTJZSA-N 0 0 450.608 4.787 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1 ZINC001450908213 1067135423 /nfs/dbraw/zinc/13/54/23/1067135423.db2.gz JFDSGUJSWHMXPD-XZOQPEGZSA-N 0 0 455.396 4.544 20 0 JJADRN CCOC(=O)c1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC(C)C)cc1 ZINC001458768359 1067136042 /nfs/dbraw/zinc/13/60/42/1067136042.db2.gz IGNCOVNEPRKVAV-UHFFFAOYSA-N 0 0 453.564 4.761 20 0 JJADRN Cc1cccc(CN2CCN(C(=O)c3cnc(-c4ccccc4Br)s3)CC2)c1 ZINC001458768058 1067136074 /nfs/dbraw/zinc/13/60/74/1067136074.db2.gz LPUDJZLDAGWPMT-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1ccc2nonc2c1 ZINC001546026821 1067135995 /nfs/dbraw/zinc/13/59/95/1067135995.db2.gz BYBLTSBFUSOLOM-UHFFFAOYSA-N 0 0 459.203 4.746 20 0 JJADRN COc1ccccc1-n1c(=O)c2ccccc2nc1SC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458769800 1067137311 /nfs/dbraw/zinc/13/73/11/1067137311.db2.gz MIVUYSWLDNAONB-LIRRHRJNSA-N 0 0 450.482 4.986 20 0 JJADRN CCNC(=O)Nc1c(C)cccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001450977687 1067137802 /nfs/dbraw/zinc/13/78/02/1067137802.db2.gz DMMLYNGEUKBVON-JOIKAWEESA-N 0 0 458.603 4.795 20 0 JJADRN CCNC(=O)Nc1c(C)cccc1NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 ZINC001450980914 1067138006 /nfs/dbraw/zinc/13/80/06/1067138006.db2.gz XFDBWJQIYHFMEI-UHFFFAOYSA-N 0 0 455.921 4.856 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001546027669 1067138036 /nfs/dbraw/zinc/13/80/36/1067138036.db2.gz IBCFQGQXBPZRDK-NRFANRHFSA-N 0 0 454.571 4.586 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccc4c(c3)CN(CC(F)(F)F)C4)c2)n1 ZINC001450990134 1067138589 /nfs/dbraw/zinc/13/85/89/1067138589.db2.gz YDPIGUZHNVLBIW-UHFFFAOYSA-N 0 0 457.456 4.673 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCN1C(=O)OC(C)(C)C ZINC001450994715 1067138617 /nfs/dbraw/zinc/13/86/17/1067138617.db2.gz QZPSBRQEFNUMHW-NXHRZFHOSA-N 0 0 452.393 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC001450995083 1067138686 /nfs/dbraw/zinc/13/86/86/1067138686.db2.gz SYHYSACFLNROQA-LESCRADOSA-N 0 0 452.393 4.591 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnccc2OC)C1 ZINC001546103403 1067139013 /nfs/dbraw/zinc/13/90/13/1067139013.db2.gz JGXZDVVDTATOLY-UHFFFAOYSA-N 0 0 462.598 4.616 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(SCCOc3ccc(Cl)c(F)c3)n2N)cc1 ZINC001458773636 1067139615 /nfs/dbraw/zinc/13/96/15/1067139615.db2.gz HCCMEQQBCPZFSN-UHFFFAOYSA-N 0 0 450.967 4.832 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)C1 ZINC001546103408 1067139686 /nfs/dbraw/zinc/13/96/86/1067139686.db2.gz JNCYSIHKZXBBNG-IBGZPJMESA-N 0 0 460.594 4.505 20 0 JJADRN NC(=O)N[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(Oc2ccccc2)c1 ZINC001451026872 1067140721 /nfs/dbraw/zinc/14/07/21/1067140721.db2.gz BPRPZMVQHHTNRZ-STZQEDGTSA-N 0 0 465.575 4.676 20 0 JJADRN CC(=O)[C@H](Cc1ccc(F)cc1F)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC001458776130 1067140607 /nfs/dbraw/zinc/14/06/07/1067140607.db2.gz GRIVZHHFXAMOLU-QFIPXVFZSA-N 0 0 450.514 4.959 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1C(F)F)N1CCc2c(Br)ccc(F)c2C1 ZINC001458775507 1067140627 /nfs/dbraw/zinc/14/06/27/1067140627.db2.gz KRZZIUYCUROQRO-UHFFFAOYSA-N 0 0 450.258 4.910 20 0 JJADRN CCOc1ccc(-n2c(SCOC(=O)N(CC)CC)nnc2-c2ccc(OC)cc2)cc1 ZINC001458775391 1067140725 /nfs/dbraw/zinc/14/07/25/1067140725.db2.gz NMBOITBTHFQESV-UHFFFAOYSA-N 0 0 456.568 4.870 20 0 JJADRN C[C@@H](OC1CCCCC1)C(=O)Oc1ccc(I)c(Br)c1 ZINC001458775956 1067140786 /nfs/dbraw/zinc/14/07/86/1067140786.db2.gz MCFIBSAFDRTFAN-SNVBAGLBSA-N 0 0 453.114 4.697 20 0 JJADRN Cc1cc(CNC(=O)c2cc(Br)c(Br)[nH]2)ccc1Br ZINC001451038228 1067141355 /nfs/dbraw/zinc/14/13/55/1067141355.db2.gz AQVFDGIXZJGJRW-UHFFFAOYSA-N 0 0 450.956 4.541 20 0 JJADRN CC(C)(C)C(=O)N1CCC(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)CC1 ZINC001458779012 1067142336 /nfs/dbraw/zinc/14/23/36/1067142336.db2.gz MEJXRKBAOJBTJA-UHFFFAOYSA-N 0 0 453.583 4.902 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cnn1CCC(C)C ZINC001451045919 1067142517 /nfs/dbraw/zinc/14/25/17/1067142517.db2.gz IPZROMFBKNFLAV-JTHBVZDNSA-N 0 0 472.605 4.900 20 0 JJADRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001451043064 1067142701 /nfs/dbraw/zinc/14/27/01/1067142701.db2.gz XECNNXULPIRVLF-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccc(Br)cc1 ZINC001458780301 1067142924 /nfs/dbraw/zinc/14/29/24/1067142924.db2.gz QCOBPWYDOAZQLH-RXVVDRJESA-N 0 0 458.331 4.732 20 0 JJADRN CCn1c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC ZINC001458780555 1067142976 /nfs/dbraw/zinc/14/29/76/1067142976.db2.gz ZNPVCUOJWHCLFR-UHFFFAOYSA-N 0 0 459.637 4.837 20 0 JJADRN CCc1ccc(OCc2nnc(S[C@H]3CCCN(C)C3=O)n2[C@H](C)c2ccccc2)cc1 ZINC001458780569 1067143456 /nfs/dbraw/zinc/14/34/56/1067143456.db2.gz IGJDDVFLXFKBNK-GCJKJVERSA-N 0 0 450.608 4.742 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@@H](C)c3ncc(C)s3)cc2Br)no1 ZINC001458781502 1067144081 /nfs/dbraw/zinc/14/40/81/1067144081.db2.gz ILAUZCSYZVRZCV-LLVKDONJSA-N 0 0 450.358 4.623 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COc1cc(OCC)ccc1C=O ZINC001458781124 1067144216 /nfs/dbraw/zinc/14/42/16/1067144216.db2.gz LSBUBTRDYPDMEE-UHFFFAOYSA-N 0 0 453.516 4.821 20 0 JJADRN COc1nccc2c(NC(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cccc21 ZINC001451071622 1067144625 /nfs/dbraw/zinc/14/46/25/1067144625.db2.gz YTZRQWALIPPQJO-QHCPKHFHSA-N 0 0 456.502 4.774 20 0 JJADRN CCOc1ccc(-n2c(S[C@H](C(=O)OC(C)(C)C)C3CC3)nnc2-c2ccncc2)cc1 ZINC001458782579 1067144794 /nfs/dbraw/zinc/14/47/94/1067144794.db2.gz KNDHDIPFRCJNPA-FQEVSTJZSA-N 0 0 452.580 4.940 20 0 JJADRN C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451070718 1067144814 /nfs/dbraw/zinc/14/48/14/1067144814.db2.gz XKFHAWWMZDRDCA-CQSZACIVSA-N 0 0 451.386 4.653 20 0 JJADRN CCn1ncc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)n1 ZINC001458782923 1067145270 /nfs/dbraw/zinc/14/52/70/1067145270.db2.gz QYXNIQKFCAGZJT-UHFFFAOYSA-N 0 0 459.362 4.828 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)c3noc(C(F)F)n3)cc12 ZINC001451084249 1067145132 /nfs/dbraw/zinc/14/51/32/1067145132.db2.gz KVGRQDOHYBVBLU-SNVBAGLBSA-N 0 0 451.886 4.920 20 0 JJADRN C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1noc(C(F)F)n1 ZINC001451083630 1067145218 /nfs/dbraw/zinc/14/52/18/1067145218.db2.gz KANBPKQWDCOFOT-CYBMUJFWSA-N 0 0 457.868 4.933 20 0 JJADRN C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1noc(C(F)F)n1 ZINC001451083786 1067145382 /nfs/dbraw/zinc/14/53/82/1067145382.db2.gz KANBPKQWDCOFOT-ZDUSSCGKSA-N 0 0 457.868 4.933 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(C)cc2)C1 ZINC001546103679 1067145929 /nfs/dbraw/zinc/14/59/29/1067145929.db2.gz SQOGYEBDUPJJRY-UHFFFAOYSA-N 0 0 453.631 4.698 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001451104013 1067146232 /nfs/dbraw/zinc/14/62/32/1067146232.db2.gz DMOPTMJXKMLIRV-RBBKRZOGSA-N 0 0 458.599 4.686 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCOc4ncc(Br)cc43)c2)no1 ZINC001458785790 1067146483 /nfs/dbraw/zinc/14/64/83/1067146483.db2.gz RQWKYIKQJYFDOQ-UHFFFAOYSA-N 0 0 457.328 4.522 20 0 JJADRN O=c1c2ccccc2nc(SC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1C[C@H]1CCCO1 ZINC001458787545 1067146590 /nfs/dbraw/zinc/14/65/90/1067146590.db2.gz VHHHCUGFKYXQEO-AUUYWEPGSA-N 0 0 451.375 4.708 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001546103743 1067147270 /nfs/dbraw/zinc/14/72/70/1067147270.db2.gz VHPALZCWRXZBTP-IFMALSPDSA-N 0 0 453.631 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC001451120417 1067147542 /nfs/dbraw/zinc/14/75/42/1067147542.db2.gz WOQGZEIHTJENFC-KNQAVFIVSA-N 0 0 453.583 4.511 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)[C@]12CCCO2 ZINC001458788447 1067147953 /nfs/dbraw/zinc/14/79/53/1067147953.db2.gz ZIRFRGSEYXKDOR-KLJZETAQSA-N 0 0 450.362 4.956 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)oc1-c1ccccc1 ZINC001451126720 1067148137 /nfs/dbraw/zinc/14/81/37/1067148137.db2.gz FMCJSMZLBSJHSR-NJDAHSKKSA-N 0 0 453.583 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 ZINC001451124054 1067148191 /nfs/dbraw/zinc/14/81/91/1067148191.db2.gz OZGGNSGJACEUPH-QFBILLFUSA-N 0 0 458.530 4.574 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001451125722 1067148195 /nfs/dbraw/zinc/14/81/95/1067148195.db2.gz CWUYRAKSZBERHK-NJDAHSKKSA-N 0 0 450.583 4.615 20 0 JJADRN CCC1(c2ccccc2)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001451138581 1067149071 /nfs/dbraw/zinc/14/90/71/1067149071.db2.gz DSBCGAAECXVGAP-UHFFFAOYSA-N 0 0 456.514 4.569 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451142493 1067149134 /nfs/dbraw/zinc/14/91/34/1067149134.db2.gz PQVLYDUQEWWMPR-SOUVJXGZSA-N 0 0 455.368 4.662 20 0 JJADRN O=C(Cc1ccccc1)OCCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC001458794811 1067149301 /nfs/dbraw/zinc/14/93/01/1067149301.db2.gz RVZQZRWCFLTYLA-UHFFFAOYSA-N 0 0 450.947 4.917 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451142486 1067149158 /nfs/dbraw/zinc/14/91/58/1067149158.db2.gz PQVLYDUQEWWMPR-RRFJBIMHSA-N 0 0 455.368 4.662 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CCCc3cccnc3)cc2)cc1C ZINC001451142090 1067149285 /nfs/dbraw/zinc/14/92/85/1067149285.db2.gz AQEJFLFWVYFRAU-FQEVSTJZSA-N 0 0 451.592 4.640 20 0 JJADRN CCC1(c2ccccc2)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC001451143441 1067149937 /nfs/dbraw/zinc/14/99/37/1067149937.db2.gz NQHXSELIKQICEF-UHFFFAOYSA-N 0 0 452.551 4.739 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)CC(=O)N2C)cc1 ZINC001458806699 1067150662 /nfs/dbraw/zinc/15/06/62/1067150662.db2.gz BZJBPVCSFNPULY-CVDCTZTESA-N 0 0 459.373 4.837 20 0 JJADRN COCCN(C(=O)Cc1sc(SCC(C)C)nc1C)c1cccc(Br)n1 ZINC001458810255 1067151327 /nfs/dbraw/zinc/15/13/27/1067151327.db2.gz AWZCPEBOPSWFAP-UHFFFAOYSA-N 0 0 458.447 4.579 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)nc2)c1 ZINC001451155483 1067151271 /nfs/dbraw/zinc/15/12/71/1067151271.db2.gz GRHUNFYDEVPDCV-HXUWFJFHSA-N 0 0 450.457 4.704 20 0 JJADRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1 ZINC001451170681 1067152049 /nfs/dbraw/zinc/15/20/49/1067152049.db2.gz IOOLUPIGTHDGMZ-UHFFFAOYSA-N 0 0 451.939 4.626 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)[C@@H]1O ZINC001451193333 1067153311 /nfs/dbraw/zinc/15/33/11/1067153311.db2.gz LERHCFXWDVQXSG-ZBFHGGJFSA-N 0 0 454.495 4.893 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)CCCSc2ccc(Br)cc2)[C@@H]1O ZINC001451196226 1067153371 /nfs/dbraw/zinc/15/33/71/1067153371.db2.gz KWJSRZQTUWHEMQ-AEFFLSMTSA-N 0 0 456.427 4.772 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)Cc2csc(-c3cccc(Br)c3)n2)[C@@H]1O ZINC001451198782 1067153690 /nfs/dbraw/zinc/15/36/90/1067153690.db2.gz VSVXZEOPSLICDL-AEFFLSMTSA-N 0 0 479.421 4.566 20 0 JJADRN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001451233889 1067154510 /nfs/dbraw/zinc/15/45/10/1067154510.db2.gz RNWJKMHWUIIFPN-UHFFFAOYSA-N 0 0 453.417 4.639 20 0 JJADRN Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001451212470 1067154640 /nfs/dbraw/zinc/15/46/40/1067154640.db2.gz VSNKHXZSJXKZLH-UHFFFAOYSA-N 0 0 457.983 4.763 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC001451246341 1067155080 /nfs/dbraw/zinc/15/50/80/1067155080.db2.gz NWHAJENSTCNHGM-HSZRJFAPSA-N 0 0 458.549 4.669 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cccc(Br)c1C ZINC001458820580 1067155413 /nfs/dbraw/zinc/15/54/13/1067155413.db2.gz NZCRPVCANUQGAR-OAQYLSRUSA-N 0 0 454.368 4.774 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001546103971 1067156117 /nfs/dbraw/zinc/15/61/17/1067156117.db2.gz CTYLSPDIUZRWFL-MJGOQNOKSA-N 0 0 456.505 4.546 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1)c1ccoc1 ZINC001451257219 1067156455 /nfs/dbraw/zinc/15/64/55/1067156455.db2.gz YMGJZEGZSVIBPT-JOCHJYFZSA-N 0 0 458.436 4.535 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001451256524 1067156468 /nfs/dbraw/zinc/15/64/68/1067156468.db2.gz QYTZYQQYKRIAJU-LJQANCHMSA-N 0 0 459.631 4.906 20 0 JJADRN Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)nc3)nc3ccccc3c2=O)c1 ZINC001458822348 1067156589 /nfs/dbraw/zinc/15/65/89/1067156589.db2.gz MPIWYXXOEAZEHC-UHFFFAOYSA-N 0 0 450.951 4.782 20 0 JJADRN CCC(CC)[C@@H](Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819927 1067156633 /nfs/dbraw/zinc/15/66/33/1067156633.db2.gz OWJTVKRPSXSHMH-RUZDIDTESA-N 0 0 495.712 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc([S@](C)(=N)=O)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001451260704 1067157088 /nfs/dbraw/zinc/15/70/88/1067157088.db2.gz CROQSFBLZURDNY-GCNKWRCBSA-N 0 0 478.014 4.965 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001546029768 1067157144 /nfs/dbraw/zinc/15/71/44/1067157144.db2.gz QBETXVPFEQDXKK-QGZVFWFLSA-N 0 0 478.037 4.595 20 0 JJADRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1nn(-c2ccccc2)c2c1CCC2 ZINC001458823039 1067157153 /nfs/dbraw/zinc/15/71/53/1067157153.db2.gz TYBKABZDZPETIK-LJQANCHMSA-N 0 0 451.395 4.996 20 0 JJADRN O=C1[C@H](Sc2nncn2-c2cccc(Cl)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001458823590 1067157228 /nfs/dbraw/zinc/15/72/28/1067157228.db2.gz CTHXRCCYDKALKA-QGZVFWFLSA-N 0 0 450.898 4.810 20 0 JJADRN COc1ccc(-c2nnc(SCCNC(=O)OCC(F)(F)F)n2C2CCCCC2)cc1 ZINC001458825575 1067158423 /nfs/dbraw/zinc/15/84/23/1067158423.db2.gz XVUMLXOZZILXQX-UHFFFAOYSA-N 0 0 458.506 4.840 20 0 JJADRN CC(C)CCC[C@@H](C)n1c(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)nc2ccccc2c1=O ZINC001458825457 1067158525 /nfs/dbraw/zinc/15/85/25/1067158525.db2.gz KYJXQEUHTRGFDT-RTBURBONSA-N 0 0 459.656 4.902 20 0 JJADRN Cc1c(C(=O)Nc2cccc(I)c2C)cnn1-c1cccc(Cl)c1 ZINC001458825864 1067159217 /nfs/dbraw/zinc/15/92/17/1067159217.db2.gz SBWOQSGZMPVPHZ-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN COc1cccc(C(=O)c2c(NC(=O)C[C@@H](CNC(C)=O)CC(C)C)sc3c2CCC3)c1 ZINC001458826061 1067159233 /nfs/dbraw/zinc/15/92/33/1067159233.db2.gz TZZVHCGZONGDQM-KRWDZBQOSA-N 0 0 456.608 4.603 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001451323554 1067159390 /nfs/dbraw/zinc/15/93/90/1067159390.db2.gz GVVJWYCBWFUWEH-QFIPXVFZSA-N 0 0 458.549 4.882 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c(F)c1 ZINC001458826804 1067159792 /nfs/dbraw/zinc/15/97/92/1067159792.db2.gz QGWHUZXBZYNEFU-UHFFFAOYSA-N 0 0 453.413 4.832 20 0 JJADRN O=C(Cc1cccc(I)c1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC001451334159 1067160103 /nfs/dbraw/zinc/16/01/03/1067160103.db2.gz GEAJDGARCQUTPW-UHFFFAOYSA-N 0 0 455.286 4.593 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(CSc2ccc(F)cc2)cc1 ZINC001451334053 1067160204 /nfs/dbraw/zinc/16/02/04/1067160204.db2.gz YOQWLDVIYPFRSH-ONTIZHBOSA-N 0 0 459.612 4.782 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC001451331611 1067160264 /nfs/dbraw/zinc/16/02/64/1067160264.db2.gz XRXSFLJIMJXTEG-UHFFFAOYSA-N 0 0 455.561 4.885 20 0 JJADRN CCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC001458828185 1067160355 /nfs/dbraw/zinc/16/03/55/1067160355.db2.gz JLEYBQIVHFQXAC-HNNXBMFYSA-N 0 0 455.649 4.662 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1Cl)n(Cc1ccco1)c2=O ZINC001458827459 1067160363 /nfs/dbraw/zinc/16/03/63/1067160363.db2.gz WBBOCTAJCPWVAD-UHFFFAOYSA-N 0 0 458.898 4.909 20 0 JJADRN Cc1c(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001451337957 1067160569 /nfs/dbraw/zinc/16/05/69/1067160569.db2.gz IOZSWRLDTHCQBN-UHFFFAOYSA-N 0 0 454.521 4.736 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CC=CCC2)on1 ZINC001545821391 1067161275 /nfs/dbraw/zinc/16/12/75/1067161275.db2.gz CAIJTAZJEJYDHH-GOSISDBHSA-N 0 0 463.586 4.658 20 0 JJADRN COc1cc(C(=O)Nc2cccc(CCO)c2)ccc1OCc1ccc(Br)cc1 ZINC001451344889 1067161411 /nfs/dbraw/zinc/16/14/11/1067161411.db2.gz WSSRZUWGFLDBOX-UHFFFAOYSA-N 0 0 456.336 4.824 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)cc1OCC ZINC001451375582 1067161425 /nfs/dbraw/zinc/16/14/25/1067161425.db2.gz FDTANHIJTAKVOL-RXVVDRJESA-N 0 0 458.986 4.710 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451378632 1067161705 /nfs/dbraw/zinc/16/17/05/1067161705.db2.gz LXYUUJPIQMYCDY-QILLFSRXSA-N 0 0 465.566 4.923 20 0 JJADRN Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC001458832185 1067161806 /nfs/dbraw/zinc/16/18/06/1067161806.db2.gz BLBIEKVLUKUJDS-FQEVSTJZSA-N 0 0 457.599 4.892 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(C)=O)CC2)on1 ZINC001545821878 1067162261 /nfs/dbraw/zinc/16/22/61/1067162261.db2.gz NSVWOLSAUYYLBK-KRWDZBQOSA-N 0 0 498.603 4.602 20 0 JJADRN O=C(Nc1cccc(O[C@@H]2CC(=O)N2)c1)c1sc2cc(Br)ccc2c1Cl ZINC001451382619 1067162466 /nfs/dbraw/zinc/16/24/66/1067162466.db2.gz YMLFKHBKOPBYLF-OAHLLOKOSA-N 0 0 451.729 4.794 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c(C(F)(F)F)o1 ZINC001451387391 1067162518 /nfs/dbraw/zinc/16/25/18/1067162518.db2.gz GCMBIWMBCNGUIG-DLBZAZTESA-N 0 0 456.436 4.879 20 0 JJADRN O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001458833959 1067162470 /nfs/dbraw/zinc/16/24/70/1067162470.db2.gz IQQJCFVIZSDNDK-UHFFFAOYSA-N 0 0 459.978 4.908 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)[C@H]1CCCOC1 ZINC001458833482 1067162481 /nfs/dbraw/zinc/16/24/81/1067162481.db2.gz BRAUXKFLLMKSGP-YWZLYKJASA-N 0 0 459.589 4.875 20 0 JJADRN CNC(=O)[C@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C ZINC001458834839 1067162894 /nfs/dbraw/zinc/16/28/94/1067162894.db2.gz MGAQMTQVACBTNH-DEOSSOPVSA-N 0 0 456.615 4.924 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1c[nH]cc1-c1ccccc1F ZINC001451389912 1067162897 /nfs/dbraw/zinc/16/28/97/1067162897.db2.gz CXBDPOPSVDBADX-UHFFFAOYSA-N 0 0 456.359 4.978 20 0 JJADRN COCCOc1cccc(CC(=O)Nc2sc3c(c2C(=O)c2ccc(F)cc2)CCC3)c1 ZINC001458835182 1067162997 /nfs/dbraw/zinc/16/29/97/1067162997.db2.gz SBXSQRZKIOEGMK-UHFFFAOYSA-N 0 0 453.535 4.813 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458835153 1067163545 /nfs/dbraw/zinc/16/35/45/1067163545.db2.gz GKAXDVLOWKUQPB-MBSDFSHPSA-N 0 0 454.933 4.910 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)Cc3ccc(C)c(Cl)c3)c2C)c1 ZINC001458835025 1067163709 /nfs/dbraw/zinc/16/37/09/1067163709.db2.gz IHLNTVIESBJEPZ-HSZRJFAPSA-N 0 0 453.970 4.602 20 0 JJADRN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458835620 1067164259 /nfs/dbraw/zinc/16/42/59/1067164259.db2.gz GOALQNSLYASOBL-HXUWFJFHSA-N 0 0 458.352 4.552 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@@H]1CCCOC1 ZINC001458836423 1067164851 /nfs/dbraw/zinc/16/48/51/1067164851.db2.gz HOCINGRXLZHYBQ-WAIKUNEKSA-N 0 0 452.938 4.643 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)CCC(=O)OC)nnc2-c2cccc(Cl)c2)cc1 ZINC001458836551 1067164928 /nfs/dbraw/zinc/16/49/28/1067164928.db2.gz OZQKFSMTYDHFEI-UHFFFAOYSA-N 0 0 459.955 4.601 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)on1 ZINC001545823154 1067164869 /nfs/dbraw/zinc/16/48/69/1067164869.db2.gz CCPJPUFIVATSQO-VFNWGFHPSA-N 0 0 475.540 4.694 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2cccn3c(I)cnc23)C[C@@H](c2ccccc2)C1 ZINC001451398483 1067164877 /nfs/dbraw/zinc/16/48/77/1067164877.db2.gz IBTDSXUJUAIXMS-XIRDDKMYSA-N 0 0 459.331 4.641 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)on1 ZINC001545823151 1067164883 /nfs/dbraw/zinc/16/48/83/1067164883.db2.gz BXPFJTDJWKQPLW-UHFFFAOYSA-N 0 0 485.032 4.843 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCC2)on1 ZINC001545823096 1067164900 /nfs/dbraw/zinc/16/49/00/1067164900.db2.gz ALZKZEPBWYHOTA-UHFFFAOYSA-N 0 0 471.627 4.525 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC001451398826 1067164945 /nfs/dbraw/zinc/16/49/45/1067164945.db2.gz JFRXCICOOUISJQ-BXXSPATCSA-N 0 0 456.533 4.978 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(CC)C(=O)C2)on1 ZINC001545823183 1067165026 /nfs/dbraw/zinc/16/50/26/1067165026.db2.gz CXARDXLCLIXTHC-UHFFFAOYSA-N 0 0 471.005 4.597 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@H]1CCCOC1 ZINC001458836401 1067164942 /nfs/dbraw/zinc/16/49/42/1067164942.db2.gz HOCINGRXLZHYBQ-QMHKHESXSA-N 0 0 452.938 4.643 20 0 JJADRN COC(=O)C1(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2C)CCOCC1 ZINC001458837304 1067165637 /nfs/dbraw/zinc/16/56/37/1067165637.db2.gz QNTCMNBMORIIIK-UHFFFAOYSA-N 0 0 451.592 4.537 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)on1 ZINC001545823331 1067166226 /nfs/dbraw/zinc/16/62/26/1067166226.db2.gz IWKRMSMGDHXOAK-MRXNPFEDSA-N 0 0 458.607 4.541 20 0 JJADRN COc1ccc(C)cc1-n1c(SC[C@H](C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O ZINC001458839027 1067166793 /nfs/dbraw/zinc/16/67/93/1067166793.db2.gz YMHRTFBZTKWGRP-INIZCTEOSA-N 0 0 455.580 4.708 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)on1 ZINC001545823470 1067166913 /nfs/dbraw/zinc/16/69/13/1067166913.db2.gz NLFJMODSILEYLL-QGZVFWFLSA-N 0 0 480.535 4.771 20 0 JJADRN CCOc1ccc(-n2c(SCCCN3CCOC3=O)nnc2-c2cccc(Cl)c2)cc1 ZINC001458839933 1067166899 /nfs/dbraw/zinc/16/68/99/1067166899.db2.gz WYDJOLMNTVRDGS-UHFFFAOYSA-N 0 0 458.971 4.921 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2cnccc2C(C)(C)C)[C@H]1c1ccc(OC)cc1 ZINC001451409559 1067166928 /nfs/dbraw/zinc/16/69/28/1067166928.db2.gz GCWWCXFRLMEVKK-RCZVLFRGSA-N 0 0 451.611 4.784 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCC[C@@H](C)C2)on1 ZINC001545823642 1067167393 /nfs/dbraw/zinc/16/73/93/1067167393.db2.gz SUBHQAQSZRSRKE-GOSISDBHSA-N 0 0 485.654 4.915 20 0 JJADRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001451409930 1067167590 /nfs/dbraw/zinc/16/75/90/1067167590.db2.gz DHTXWXIHTLGEJM-OAHLLOKOSA-N 0 0 453.308 4.656 20 0 JJADRN CC(C)(C)c1ccncc1CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001451411738 1067168208 /nfs/dbraw/zinc/16/82/08/1067168208.db2.gz MUHTZUGLZFFPCO-UHFFFAOYSA-N 0 0 456.637 4.518 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@H](C)C2)on1 ZINC001545823724 1067168257 /nfs/dbraw/zinc/16/82/57/1067168257.db2.gz WOGVSSNOTSSIJD-HDICACEKSA-N 0 0 485.654 4.771 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCc2cnccc2C(C)(C)C)cc1 ZINC001451412249 1067168478 /nfs/dbraw/zinc/16/84/78/1067168478.db2.gz REIAEBNRKPBTGP-UHFFFAOYSA-N 0 0 455.555 4.557 20 0 JJADRN Cn1cc(CNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c(-c2ccccc2)n1 ZINC001458843370 1067169136 /nfs/dbraw/zinc/16/91/36/1067169136.db2.gz NYNYHNNWIWFEGJ-UHFFFAOYSA-N 0 0 457.317 4.891 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3ccsc3)CC2)on1 ZINC001545824590 1067169302 /nfs/dbraw/zinc/16/93/02/1067169302.db2.gz COCYVZMHHJLVSM-UHFFFAOYSA-N 0 0 484.670 4.831 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cnccc3C(C)(C)C)cc2)cc1C ZINC001451414580 1067169962 /nfs/dbraw/zinc/16/99/62/1067169962.db2.gz PYAGQCKRGZDXFH-UHFFFAOYSA-N 0 0 451.592 4.727 20 0 JJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccc(C(=O)OC)s1 ZINC001458845397 1067169875 /nfs/dbraw/zinc/16/98/75/1067169875.db2.gz LJZVBXVVJGCSHA-UHFFFAOYSA-N 0 0 452.985 4.617 20 0 JJADRN COCc1nc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccccc2)s1 ZINC001458845636 1067169910 /nfs/dbraw/zinc/16/99/10/1067169910.db2.gz AXAHWJLPCMBMGV-HNNXBMFYSA-N 0 0 450.486 4.649 20 0 JJADRN CCn1c2ccc(F)cc2nc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC001546104210 1067170515 /nfs/dbraw/zinc/17/05/15/1067170515.db2.gz NJKXRFUOWZBPPQ-UHFFFAOYSA-N 0 0 452.511 4.557 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC001458846227 1067170552 /nfs/dbraw/zinc/17/05/52/1067170552.db2.gz ZUTWYKZLNRAEGW-UHFFFAOYSA-N 0 0 451.324 4.743 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451427792 1067170686 /nfs/dbraw/zinc/17/06/86/1067170686.db2.gz XLZPZLGNDAKQEC-PISWEHOVSA-N 0 0 450.579 4.625 20 0 JJADRN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3cccc(Br)c3Cl)C2=O)cc1 ZINC001458848560 1067171226 /nfs/dbraw/zinc/17/12/26/1067171226.db2.gz VWGJLVMAEGQNFU-HXUWFJFHSA-N 0 0 451.748 4.554 20 0 JJADRN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc(Cl)c(F)cc1Br ZINC001458848371 1067171249 /nfs/dbraw/zinc/17/12/49/1067171249.db2.gz KOFKGCPPJOBXPX-UHFFFAOYSA-N 0 0 456.674 4.793 20 0 JJADRN CCNC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 ZINC001458848694 1067171254 /nfs/dbraw/zinc/17/12/54/1067171254.db2.gz WEHRYVTXMQRINQ-UHFFFAOYSA-N 0 0 458.971 4.529 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCSC2(CCC2)CC1 ZINC001451430930 1067171266 /nfs/dbraw/zinc/17/12/66/1067171266.db2.gz KSSUWGQREAQVMR-UHFFFAOYSA-N 0 0 451.013 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)C1 ZINC001451430924 1067171382 /nfs/dbraw/zinc/17/13/82/1067171382.db2.gz KPYNKMYVPKOQMN-JTHBVZDNSA-N 0 0 452.570 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001451433342 1067171389 /nfs/dbraw/zinc/17/13/89/1067171389.db2.gz TXGWOJRNGJCHNX-RBUKOAKNSA-N 0 0 456.505 4.630 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001451434832 1067172064 /nfs/dbraw/zinc/17/20/64/1067172064.db2.gz WVXFECQQMIIVKZ-RTBURBONSA-N 0 0 456.505 4.630 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)on1 ZINC001545825919 1067172245 /nfs/dbraw/zinc/17/22/45/1067172245.db2.gz ADFGBWDURGRDNW-DENIHFKCSA-N 0 0 485.551 4.599 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@H](CO)c3ccc(F)cc3)cc12 ZINC001451458406 1067172584 /nfs/dbraw/zinc/17/25/84/1067172584.db2.gz HQSMHGQRJNFMFI-QGZVFWFLSA-N 0 0 457.958 4.753 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCO[C@@H]1CCCC[C@H]1C)n2CC ZINC001458851241 1067172583 /nfs/dbraw/zinc/17/25/83/1067172583.db2.gz FIMLOYFVLXTISI-DYESRHJHSA-N 0 0 453.674 4.774 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)[C@]3(C)CCCc4ccccc43)CC2)C1 ZINC001451441419 1067172675 /nfs/dbraw/zinc/17/26/75/1067172675.db2.gz QUHOQQNLCBOFJR-MRCUYLHHSA-N 0 0 456.627 4.592 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1Cc1ccnc(SC)c1 ZINC001545826042 1067172680 /nfs/dbraw/zinc/17/26/80/1067172680.db2.gz DDSUYIFMIXTMDS-SFHVURJKSA-N 0 0 466.655 4.868 20 0 JJADRN C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC001458852770 1067172989 /nfs/dbraw/zinc/17/29/89/1067172989.db2.gz WCGGVUSWHKBQHO-QZTJIDSGSA-N 0 0 459.011 4.732 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CC[C@H](Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1=O ZINC001458852650 1067173174 /nfs/dbraw/zinc/17/31/74/1067173174.db2.gz ODQLCXGFRATXGS-BONVTDFDSA-N 0 0 458.868 4.995 20 0 JJADRN C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC001458852772 1067173846 /nfs/dbraw/zinc/17/38/46/1067173846.db2.gz WCGGVUSWHKBQHO-ROUUACIJSA-N 0 0 459.011 4.732 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1C[C@@H](C)c1ncc(C)s1 ZINC001545826398 1067173867 /nfs/dbraw/zinc/17/38/67/1067173867.db2.gz MAOFBJRELFBKFZ-AEFFLSMTSA-N 0 0 454.644 4.963 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1CCN1CCc2sccc2C1 ZINC001545826405 1067173873 /nfs/dbraw/zinc/17/38/73/1067173873.db2.gz MEKRWNHVCACPDW-HXUWFJFHSA-N 0 0 494.709 4.822 20 0 JJADRN CCOc1cccc(CN(CCO)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC001451470865 1067173966 /nfs/dbraw/zinc/17/39/66/1067173966.db2.gz NSVMSIPXAVZITH-UHFFFAOYSA-N 0 0 455.558 4.632 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001451480641 1067174707 /nfs/dbraw/zinc/17/47/07/1067174707.db2.gz ZPTBYYOMMMVYJY-FZMZJTMJSA-N 0 0 458.702 4.732 20 0 JJADRN Clc1cccc(-n2c(SCc3ccncc3Br)nnc2N2CCCC2)c1 ZINC001458857895 1067175019 /nfs/dbraw/zinc/17/50/19/1067175019.db2.gz CRNKRZFRADAYMD-UHFFFAOYSA-N 0 0 450.793 4.971 20 0 JJADRN O=C1[C@@H](Sc2nnc(NCc3ccco3)s2)CCCN1c1ccc(OC(F)F)cc1 ZINC001458857907 1067175054 /nfs/dbraw/zinc/17/50/54/1067175054.db2.gz BIAFETGIESKAQV-HNNXBMFYSA-N 0 0 452.508 4.632 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)on1 ZINC001545826648 1067175097 /nfs/dbraw/zinc/17/50/97/1067175097.db2.gz RGXVPAYUPVCRHD-SFHVURJKSA-N 0 0 472.678 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CC1CC(F)(F)C1 ZINC001545826606 1067175115 /nfs/dbraw/zinc/17/51/15/1067175115.db2.gz QTKSHKQBZXMHFV-ZDUSSCGKSA-N 0 0 455.500 4.717 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001451512471 1067175228 /nfs/dbraw/zinc/17/52/28/1067175228.db2.gz ZXIJEJTXDFZNAM-OAHLLOKOSA-N 0 0 453.308 4.656 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)s2)c(F)c1 ZINC001451515459 1067175316 /nfs/dbraw/zinc/17/53/16/1067175316.db2.gz BIRAXUHVFOXMIB-UHFFFAOYSA-N 0 0 451.564 4.595 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001546031630 1067175363 /nfs/dbraw/zinc/17/53/63/1067175363.db2.gz NFQHIHZEZCEJCP-NRFANRHFSA-N 0 0 473.980 4.570 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1 ZINC001451490220 1067175383 /nfs/dbraw/zinc/17/53/83/1067175383.db2.gz MUOSMRSCCXACDQ-JXFKEZNVSA-N 0 0 461.509 4.912 20 0 JJADRN CCOC(=O)[C@@]1(CCSc2nnc(Cc3cccs3)n2-c2ccccc2)CCCC1=O ZINC001458858363 1067175566 /nfs/dbraw/zinc/17/55/66/1067175566.db2.gz DNMVGGQSQKVUQK-HSZRJFAPSA-N 0 0 455.605 4.704 20 0 JJADRN CNC(=O)[C@@H](Cc1ccccc1)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC001458858932 1067175613 /nfs/dbraw/zinc/17/56/13/1067175613.db2.gz XPLKTEIXFGVCJH-PLJYQOKSSA-N 0 0 459.546 4.660 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1OCC ZINC001458858939 1067175640 /nfs/dbraw/zinc/17/56/40/1067175640.db2.gz WGEXJBIVBNURTL-JSGCOSHPSA-N 0 0 452.311 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545826669 1067175662 /nfs/dbraw/zinc/17/56/62/1067175662.db2.gz ROCRNHDGAUIIIU-MSOLQXFVSA-N 0 0 499.610 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC1(CC)CCOCC1 ZINC001545826741 1067175701 /nfs/dbraw/zinc/17/57/01/1067175701.db2.gz SNBALEHCOQDKRD-QGZVFWFLSA-N 0 0 477.600 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001545826686 1067175737 /nfs/dbraw/zinc/17/57/37/1067175737.db2.gz RUOUGDQBSDWBQG-FQEVSTJZSA-N 0 0 489.624 4.838 20 0 JJADRN Cc1cc(-c2cc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c3c(C)noc3n2)c(C)o1 ZINC001451517754 1067176036 /nfs/dbraw/zinc/17/60/36/1067176036.db2.gz JUJVGQPSBXMPSC-UHFFFAOYSA-N 0 0 456.543 4.737 20 0 JJADRN Clc1ccccc1-n1c(SCc2ccncc2Br)nnc1N1CCCC1 ZINC001458859368 1067176174 /nfs/dbraw/zinc/17/61/74/1067176174.db2.gz GNRBIDBCPNXKQQ-UHFFFAOYSA-N 0 0 450.793 4.971 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC1(O)CCCCCC1 ZINC001545826769 1067176227 /nfs/dbraw/zinc/17/62/27/1067176227.db2.gz SXJLANQHHLVJNC-KRWDZBQOSA-N 0 0 477.600 4.757 20 0 JJADRN CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458860911 1067176635 /nfs/dbraw/zinc/17/66/35/1067176635.db2.gz CJTTYCKNOADTHE-MRXNPFEDSA-N 0 0 453.404 4.626 20 0 JJADRN CCCc1c(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)cnn1-c1ccccc1 ZINC001458861120 1067176753 /nfs/dbraw/zinc/17/67/53/1067176753.db2.gz DBIUKFDWEZAAKV-UHFFFAOYSA-N 0 0 456.266 4.592 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001545826990 1067177258 /nfs/dbraw/zinc/17/72/58/1067177258.db2.gz YMKRVXFUXRPAJA-KURKYZTESA-N 0 0 477.600 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001451530645 1067177262 /nfs/dbraw/zinc/17/72/62/1067177262.db2.gz PMVLLRFZZGPWHX-XJKSGUPXSA-N 0 0 466.991 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001545827804 1067177713 /nfs/dbraw/zinc/17/77/13/1067177713.db2.gz BKXPDRSZYAVCTA-UHFFFAOYSA-N 0 0 474.531 4.929 20 0 JJADRN CCC(O)(CC)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546031887 1067177808 /nfs/dbraw/zinc/17/78/08/1067177808.db2.gz XQVNMHAJFBJNMH-RTBURBONSA-N 0 0 496.656 4.717 20 0 JJADRN C[C@H]1CC(C)(C)CN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001451555221 1067177938 /nfs/dbraw/zinc/17/79/38/1067177938.db2.gz KJSMNBWFRWNTJF-AWEZNQCLSA-N 0 0 451.386 4.511 20 0 JJADRN CCn1c(SCC(=O)Nc2cccc3c2OCO3)nnc1-c1ccc(Cl)cc1Cl ZINC001458864218 1067177890 /nfs/dbraw/zinc/17/78/90/1067177890.db2.gz RAXUZPCUKLHJFB-UHFFFAOYSA-N 0 0 451.335 4.731 20 0 JJADRN Cc1nc([C@H](C)Sc2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3o2)no1 ZINC001458865708 1067178295 /nfs/dbraw/zinc/17/82/95/1067178295.db2.gz GDUIWHYVPWFOFP-JTQLQIEISA-N 0 0 450.929 4.827 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001451572282 1067178412 /nfs/dbraw/zinc/17/84/12/1067178412.db2.gz DXCZFQWRUXTCSW-SCTDSRPQSA-N 0 0 453.421 4.827 20 0 JJADRN Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)ccc1-n1nnnc1C(C)C ZINC001458866285 1067179147 /nfs/dbraw/zinc/17/91/47/1067179147.db2.gz XNINIFOHBLHPAG-UHFFFAOYSA-N 0 0 456.337 4.839 20 0 JJADRN COC(=O)CCn1c(S[C@H](C)c2ccc(OC(F)(F)F)cc2)nc2ccccc2c1=O ZINC001458866108 1067179169 /nfs/dbraw/zinc/17/91/69/1067179169.db2.gz XBVIHGMXWOBBMD-CYBMUJFWSA-N 0 0 452.454 4.712 20 0 JJADRN Cc1ccc(-n2c(SC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2)cc1 ZINC001458866137 1067179212 /nfs/dbraw/zinc/17/92/12/1067179212.db2.gz HTRRILJVADTBLT-IBGZPJMESA-N 0 0 457.644 4.915 20 0 JJADRN Nn1c(COc2c(Cl)cccc2Cl)nnc1SC[C@H]1CC[C@H](c2ccccc2)O1 ZINC001458869109 1067179579 /nfs/dbraw/zinc/17/95/79/1067179579.db2.gz VEQPDYDICSKNBS-RHSMWYFYSA-N 0 0 451.379 4.890 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3c(Cl)nccc3C(F)(F)F)c12 ZINC001458868097 1067179594 /nfs/dbraw/zinc/17/95/94/1067179594.db2.gz ZNQSMXHMAFNONR-LBPRGKRZSA-N 0 0 453.852 4.547 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(Cl)nc2)cc1F ZINC001458867724 1067179599 /nfs/dbraw/zinc/17/95/99/1067179599.db2.gz APTKJJXTADRPRC-UHFFFAOYSA-N 0 0 454.914 4.612 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001451579014 1067179669 /nfs/dbraw/zinc/17/96/69/1067179669.db2.gz VYPCJGRXWIMGMB-SJORKVTESA-N 0 0 456.505 4.718 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1Cc1c(C)coc1C ZINC001545829572 1067179699 /nfs/dbraw/zinc/17/96/99/1067179699.db2.gz AKFQHBJEBYEOPT-QHCPKHFHSA-N 0 0 478.641 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001451579010 1067179840 /nfs/dbraw/zinc/17/98/40/1067179840.db2.gz VYPCJGRXWIMGMB-IAGOWNOFSA-N 0 0 456.505 4.718 20 0 JJADRN CSCCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001458870597 1067180288 /nfs/dbraw/zinc/18/02/88/1067180288.db2.gz VPAGUYKHUQQXAV-QGZVFWFLSA-N 0 0 455.462 4.649 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N(C)CC2CCCCC2)cc1F ZINC001458869969 1067180312 /nfs/dbraw/zinc/18/03/12/1067180312.db2.gz MYPJQOFSFVHSOG-UHFFFAOYSA-N 0 0 453.583 4.964 20 0 JJADRN CSc1c(F)cc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)cc1F ZINC001458869859 1067180328 /nfs/dbraw/zinc/18/03/28/1067180328.db2.gz QNGQFLNLMPMCAK-UHFFFAOYSA-N 0 0 455.408 4.812 20 0 JJADRN O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(COc2ccc(Br)cc2)o1 ZINC001458870698 1067180410 /nfs/dbraw/zinc/18/04/10/1067180410.db2.gz ATAPXZVQSOFGEP-INIZCTEOSA-N 0 0 450.235 4.763 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc2)n1 ZINC001451600555 1067180494 /nfs/dbraw/zinc/18/04/94/1067180494.db2.gz GYSUFRKSZNIHAQ-HNNXBMFYSA-N 0 0 458.506 4.771 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC001451595518 1067180514 /nfs/dbraw/zinc/18/05/14/1067180514.db2.gz BNQVPHSBTIUFBG-KRWDZBQOSA-N 0 0 458.477 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC(F)(F)F)[C@@H]2C1 ZINC001451641977 1067181792 /nfs/dbraw/zinc/18/17/92/1067181792.db2.gz LMZZIAIUURFOEE-QFBILLFUSA-N 0 0 451.489 4.675 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001451640343 1067181831 /nfs/dbraw/zinc/18/18/31/1067181831.db2.gz KAJWSZHSQUKDNX-ICSRJNTNSA-N 0 0 454.652 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001545830342 1067181768 /nfs/dbraw/zinc/18/17/68/1067181768.db2.gz RWNJOIYHDXFROP-WPSZSDGUSA-N 0 0 495.590 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001545830341 1067181820 /nfs/dbraw/zinc/18/18/20/1067181820.db2.gz RWNJOIYHDXFROP-PWAGRJGVSA-N 0 0 495.590 4.662 20 0 JJADRN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC001458872947 1067181806 /nfs/dbraw/zinc/18/18/06/1067181806.db2.gz LOTUOSLGBCURSH-FQEVSTJZSA-N 0 0 455.725 4.775 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1Cc1ccc(OC(C)C)nc1 ZINC001545830489 1067182301 /nfs/dbraw/zinc/18/23/01/1067182301.db2.gz WDRYNDSDYNOPCR-HSZRJFAPSA-N 0 0 476.625 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2ccccc2)n1Cc1ccncc1Cl ZINC001545832061 1067182316 /nfs/dbraw/zinc/18/23/16/1067182316.db2.gz FKMHAYNWBDXGIP-KRWDZBQOSA-N 0 0 455.006 4.533 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c2ccccc21 ZINC001545832942 1067182918 /nfs/dbraw/zinc/18/29/18/1067182918.db2.gz GURTYKCEBVQIFP-FUHWJXTLSA-N 0 0 455.396 4.773 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@H]1CCCC1(C)C ZINC001545832421 1067182930 /nfs/dbraw/zinc/18/29/30/1067182930.db2.gz PLNVWPPNTZHWPI-HXUWFJFHSA-N 0 0 482.673 4.715 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1 ZINC001451652471 1067183053 /nfs/dbraw/zinc/18/30/53/1067183053.db2.gz NBJRYFMBTAUUFE-IRLDBZIGSA-N 0 0 458.599 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H]1CC[C@H](F)C1 ZINC001545833798 1067183525 /nfs/dbraw/zinc/18/35/25/1067183525.db2.gz LADZPKLHYNFPRB-HIFRSBDPSA-N 0 0 486.455 4.795 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC001458878175 1067183802 /nfs/dbraw/zinc/18/38/02/1067183802.db2.gz SCBQEPHYTZUZBP-UHFFFAOYSA-N 0 0 454.250 4.955 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001458877536 1067183857 /nfs/dbraw/zinc/18/38/57/1067183857.db2.gz OPSPEQVSEYOCPM-QGZVFWFLSA-N 0 0 453.404 4.597 20 0 JJADRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001458879330 1067184335 /nfs/dbraw/zinc/18/43/35/1067184335.db2.gz AJDODYGMZCZSRE-HUUCEWRRSA-N 0 0 456.015 4.549 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001458879266 1067184338 /nfs/dbraw/zinc/18/43/38/1067184338.db2.gz QUFTZGGMUGQFPO-UHFFFAOYSA-N 0 0 452.477 4.871 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1cc(-c2ccccc2)no1 ZINC001545834789 1067184649 /nfs/dbraw/zinc/18/46/49/1067184649.db2.gz ADGCWPIUZRMORM-UHFFFAOYSA-N 0 0 493.999 4.585 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CC[C@H]1CCCCO1 ZINC001545834816 1067184811 /nfs/dbraw/zinc/18/48/11/1067184811.db2.gz BFMQOLUFYRBYJF-GOSISDBHSA-N 0 0 466.001 4.585 20 0 JJADRN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001458881949 1067185457 /nfs/dbraw/zinc/18/54/57/1067185457.db2.gz XXFMDBNRKLUXHX-UHFFFAOYSA-N 0 0 458.465 4.718 20 0 JJADRN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 ZINC001458882784 1067185468 /nfs/dbraw/zinc/18/54/68/1067185468.db2.gz AREXXCSFNDJARV-NDEPHWFRSA-N 0 0 457.574 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCc1sccc1C ZINC001545834978 1067185858 /nfs/dbraw/zinc/18/58/58/1067185858.db2.gz HLVCGZCSPPYXGO-UHFFFAOYSA-N 0 0 479.572 4.863 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@@H]1CCC[C@@H]1C ZINC001545835074 1067186041 /nfs/dbraw/zinc/18/60/41/1067186041.db2.gz KMFJWEQLKAKADV-HOCLYGCPSA-N 0 0 451.537 4.686 20 0 JJADRN Cc1cc(SCC(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c(C)cc1Br ZINC001451693346 1067186331 /nfs/dbraw/zinc/18/63/31/1067186331.db2.gz DXANWCRAKPEZAR-XJKSGUPXSA-N 0 0 456.446 4.984 20 0 JJADRN Cc1cc(SCC(=O)N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001451693344 1067186402 /nfs/dbraw/zinc/18/64/02/1067186402.db2.gz DXANWCRAKPEZAR-CZUORRHYSA-N 0 0 456.446 4.984 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC001458885271 1067186590 /nfs/dbraw/zinc/18/65/90/1067186590.db2.gz HKEANSSYRLNVAP-HXUWFJFHSA-N 0 0 459.384 4.675 20 0 JJADRN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C1 ZINC001451693465 1067186998 /nfs/dbraw/zinc/18/69/98/1067186998.db2.gz FTHWXLVONPWXJD-MJGOQNOKSA-N 0 0 455.574 4.856 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCc1ccsc1 ZINC001545835324 1067187207 /nfs/dbraw/zinc/18/72/07/1067187207.db2.gz UGIZWZVZCTXMFE-UHFFFAOYSA-N 0 0 452.049 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001545835408 1067187715 /nfs/dbraw/zinc/18/77/15/1067187715.db2.gz WXKNNGOCZKTQEK-WIYYLYMNSA-N 0 0 461.676 4.654 20 0 JJADRN CS(=O)(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 ZINC001458890686 1067187765 /nfs/dbraw/zinc/18/77/65/1067187765.db2.gz VICWLAAFILDINU-UHFFFAOYSA-N 0 0 453.564 4.828 20 0 JJADRN COC(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1cccc(Br)c1 ZINC001458890551 1067187808 /nfs/dbraw/zinc/18/78/08/1067187808.db2.gz BNKXHEFLWAXTSQ-KRWDZBQOSA-N 0 0 455.337 4.584 20 0 JJADRN Cc1ccc(N(CC(C)C)C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001451722829 1067188447 /nfs/dbraw/zinc/18/84/47/1067188447.db2.gz LGXLYGVNBKJVIN-UHFFFAOYSA-N 0 0 456.530 4.762 20 0 JJADRN Cc1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)cc(C)n1 ZINC001451727245 1067188501 /nfs/dbraw/zinc/18/85/01/1067188501.db2.gz OCJCBMLHZHFYFL-UHFFFAOYSA-N 0 0 457.983 4.699 20 0 JJADRN O=c1c(Br)c(Br)cnn1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC001458893430 1067188574 /nfs/dbraw/zinc/18/85/74/1067188574.db2.gz KWUYGONCPIOYDW-UHFFFAOYSA-N 0 0 454.093 4.748 20 0 JJADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451733372 1067188977 /nfs/dbraw/zinc/18/89/77/1067188977.db2.gz JFGWOJMFCQMEHF-GGAORHGYSA-N 0 0 454.014 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(O)c2)n1C1CC(C(C)(C)C)C1 ZINC001545836488 1067189745 /nfs/dbraw/zinc/18/97/45/1067189745.db2.gz OSCJVEKIQPHGKU-UHFFFAOYSA-N 0 0 457.619 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CC1(c2ccccn2)CCC1 ZINC001545836403 1067189778 /nfs/dbraw/zinc/18/97/78/1067189778.db2.gz LWWRBBYXQVVIFZ-UHFFFAOYSA-N 0 0 460.626 4.658 20 0 JJADRN Cc1cccc(-n2nnnc2SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1C ZINC001458899533 1067189812 /nfs/dbraw/zinc/18/98/12/1067189812.db2.gz QWRUMWNPYYSIPG-GOSISDBHSA-N 0 0 457.575 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H]1CC[C@H](F)C1 ZINC001545836736 1067190192 /nfs/dbraw/zinc/19/01/92/1067190192.db2.gz XKPBOEWGOLGNLW-FPOVZHCZSA-N 0 0 470.637 4.571 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C)cc2c1Br ZINC001451740976 1067190219 /nfs/dbraw/zinc/19/02/19/1067190219.db2.gz SRDUUTHFNBQYFW-UKRRQHHQSA-N 0 0 450.377 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)CC1 ZINC001451738439 1067190277 /nfs/dbraw/zinc/19/02/77/1067190277.db2.gz OQDBUDDSLMOXIG-GOSISDBHSA-N 0 0 451.405 4.630 20 0 JJADRN Cn1ncc(Br)c1CC(=O)OCc1cc(Cl)c(Br)c(Cl)c1 ZINC001458903758 1067190888 /nfs/dbraw/zinc/19/08/88/1067190888.db2.gz IAVXXSAFIBUAKC-UHFFFAOYSA-N 0 0 456.949 4.538 20 0 JJADRN CCCn1c2ccccc2c2nnc(S[C@H](C(=O)NCc3ccccc3F)C(C)C)nc21 ZINC001458903225 1067190896 /nfs/dbraw/zinc/19/08/96/1067190896.db2.gz OYSDDFGTDASFGR-NRFANRHFSA-N 0 0 451.571 4.962 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451741854 1067190984 /nfs/dbraw/zinc/19/09/84/1067190984.db2.gz OQOPOKPBVQPWAP-UYWIDEMCSA-N 0 0 475.630 4.793 20 0 JJADRN CCOC(=O)C1(CC(=O)OCc2cc(Cl)c(Br)c(Cl)c2)CCOCC1 ZINC001458903917 1067191378 /nfs/dbraw/zinc/19/13/78/1067191378.db2.gz JNRZNTTUYCJFCN-UHFFFAOYSA-N 0 0 454.144 4.549 20 0 JJADRN CN(CCC1CCN(C(=O)[C@H]2CCN(c3ccccc3Cl)C2)CC1)C(=O)OC(C)(C)C ZINC001545838145 1067191380 /nfs/dbraw/zinc/19/13/80/1067191380.db2.gz DBXNOHUSYAETEZ-IBGZPJMESA-N 0 0 450.023 4.662 20 0 JJADRN CN(CCC1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1)C(=O)OC(C)(C)C ZINC001545838114 1067191412 /nfs/dbraw/zinc/19/14/12/1067191412.db2.gz BXHCUIQLRHMYMX-UHFFFAOYSA-N 0 0 457.384 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnc(C)s2)n1Cc1cscc1C(F)(F)F ZINC001545837947 1067191439 /nfs/dbraw/zinc/19/14/39/1067191439.db2.gz WPGOYJIIZSGVBM-UHFFFAOYSA-N 0 0 486.589 4.726 20 0 JJADRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001451801600 1067192064 /nfs/dbraw/zinc/19/20/64/1067192064.db2.gz QMWLREKFRDBJNH-CKUXNOBLSA-N 0 0 453.579 4.658 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001451798552 1067192119 /nfs/dbraw/zinc/19/21/19/1067192119.db2.gz JONJZJMSRAJMKK-SJLPKXTDSA-N 0 0 457.409 4.615 20 0 JJADRN COc1ccc(CCC(=O)N2CCc3cc(Br)cc(F)c32)c(Br)c1 ZINC001458906554 1067192501 /nfs/dbraw/zinc/19/25/01/1067192501.db2.gz HVXFPVUJNQZJTO-UHFFFAOYSA-N 0 0 457.137 4.881 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001458908120 1067193104 /nfs/dbraw/zinc/19/31/04/1067193104.db2.gz LKLYYWHJJILQKG-HJPURHCSSA-N 0 0 450.362 4.928 20 0 JJADRN FC(F)(F)[C@@H]1CC[C@H](COc2c(I)cc(Cl)c3cccnc32)O1 ZINC001458911267 1067193673 /nfs/dbraw/zinc/19/36/73/1067193673.db2.gz NWSZCIBWOXEYMD-PELKAZGASA-N 0 0 457.617 4.982 20 0 JJADRN Cc1cccc([C@H](CC(=O)NC2(c3cccc(Br)c3)CCCCC2)NC(N)=O)c1 ZINC001451823393 1067193853 /nfs/dbraw/zinc/19/38/53/1067193853.db2.gz RJFHHWJIBRHZNN-FQEVSTJZSA-N 0 0 458.400 4.833 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 ZINC001546104669 1067194155 /nfs/dbraw/zinc/19/41/55/1067194155.db2.gz FHQSTSJWMCZUKW-RDPSFJRHSA-N 0 0 474.671 4.713 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@](C)(CC)O2)C1 ZINC001546104670 1067194172 /nfs/dbraw/zinc/19/41/72/1067194172.db2.gz FHQSTSJWMCZUKW-YKSBVNFPSA-N 0 0 474.671 4.713 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 ZINC001546104668 1067194205 /nfs/dbraw/zinc/19/42/05/1067194205.db2.gz FHQSTSJWMCZUKW-HYBUGGRVSA-N 0 0 474.671 4.713 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC001458910671 1067194247 /nfs/dbraw/zinc/19/42/47/1067194247.db2.gz ODQQHCQJOBAIFN-SANMLTNESA-N 0 0 450.510 4.580 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)c1 ZINC001458911700 1067194251 /nfs/dbraw/zinc/19/42/51/1067194251.db2.gz QHOJEDVYSGPJTC-UHFFFAOYSA-N 0 0 457.346 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2ccccc2F)n1Cc1ccc(Cl)s1 ZINC001545841788 1067194467 /nfs/dbraw/zinc/19/44/67/1067194467.db2.gz AEHAAYVDNBPUNY-UHFFFAOYSA-N 0 0 464.010 4.778 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccn(-c4ccccc4C(F)(F)F)n3)n[nH]2)c(OC)c1 ZINC001451859088 1067194507 /nfs/dbraw/zinc/19/45/07/1067194507.db2.gz HKKARKLSCKHWJW-UHFFFAOYSA-N 0 0 457.412 4.551 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001451856918 1067194631 /nfs/dbraw/zinc/19/46/31/1067194631.db2.gz CRRZSGKXLCGTOL-UHFFFAOYSA-N 0 0 457.456 4.774 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)c(C)c2c1 ZINC001458912611 1067194846 /nfs/dbraw/zinc/19/48/46/1067194846.db2.gz JIUZAVAKAZUEMQ-QFIPXVFZSA-N 0 0 450.604 4.610 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C)C(=O)c1ccc(Cl)cc1 ZINC001451862063 1067195279 /nfs/dbraw/zinc/19/52/79/1067195279.db2.gz WOUNOPADZJJTIX-VXNCWWDNSA-N 0 0 451.007 4.947 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)c3cc(Br)c4nccn4c3)cc2)c1 ZINC001458915391 1067195343 /nfs/dbraw/zinc/19/53/43/1067195343.db2.gz OJOARJVEFHNNEA-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C(C)C)n1CCc1cc(Br)ccc1F ZINC001545843742 1067195576 /nfs/dbraw/zinc/19/55/76/1067195576.db2.gz HQCAGAQSEIZSNE-UHFFFAOYSA-N 0 0 468.415 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@H]1Cc2ccccc2O1 ZINC001545843905 1067195711 /nfs/dbraw/zinc/19/57/11/1067195711.db2.gz MSKFNUBFZFWBBK-AVRDEDQJSA-N 0 0 453.631 4.605 20 0 JJADRN O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001458916835 1067195874 /nfs/dbraw/zinc/19/58/74/1067195874.db2.gz PHXGDACOCRMABQ-UHFFFAOYSA-N 0 0 456.437 4.521 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2)cc1 ZINC001546034282 1067196017 /nfs/dbraw/zinc/19/60/17/1067196017.db2.gz SGIYBELQPMJOAD-UHFFFAOYSA-N 0 0 457.574 4.556 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccc1 ZINC001451876072 1067196023 /nfs/dbraw/zinc/19/60/23/1067196023.db2.gz CUSVVASNEZPGDK-OAQYLSRUSA-N 0 0 455.624 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c(F)cccc2F)n1Cc1ccncc1Cl ZINC001545844301 1067196253 /nfs/dbraw/zinc/19/62/53/1067196253.db2.gz ZNFGCPBUMQXAKT-UHFFFAOYSA-N 0 0 476.959 4.598 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001545844230 1067196264 /nfs/dbraw/zinc/19/62/64/1067196264.db2.gz XPESGIPOXJXXMV-RXVVDRJESA-N 0 0 490.693 4.611 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001451898095 1067196438 /nfs/dbraw/zinc/19/64/38/1067196438.db2.gz ITSHIPVOHQIQCH-QZTJIDSGSA-N 0 0 469.611 4.745 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCN2CCOC2=O)C1 ZINC001546104719 1067196554 /nfs/dbraw/zinc/19/65/54/1067196554.db2.gz HKLWVLMDTACWMD-UHFFFAOYSA-N 0 0 490.446 4.875 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c12 ZINC001451895979 1067196614 /nfs/dbraw/zinc/19/66/14/1067196614.db2.gz DNRYUCCGTOMTAV-RTBURBONSA-N 0 0 469.630 4.938 20 0 JJADRN CCc1[nH]c(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c(C)c1C(=O)OC ZINC001545844577 1067196759 /nfs/dbraw/zinc/19/67/59/1067196759.db2.gz JGQUSDLGFSVUPE-KRWDZBQOSA-N 0 0 456.587 4.588 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccc(F)c2)C2CC2)n1Cc1c(C)coc1C ZINC001545845260 1067196779 /nfs/dbraw/zinc/19/67/79/1067196779.db2.gz BDKROIATPCOOPW-UHFFFAOYSA-N 0 0 453.562 4.763 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCC2)n1Cc1sccc1Br ZINC001545844309 1067196788 /nfs/dbraw/zinc/19/67/88/1067196788.db2.gz ZUFJEUHOPCSXHJ-UHFFFAOYSA-N 0 0 468.465 4.838 20 0 JJADRN CC(C)COC(=O)N(C)CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC001458919032 1067197191 /nfs/dbraw/zinc/19/71/91/1067197191.db2.gz IJYVIMQGOSRQIG-UHFFFAOYSA-N 0 0 458.609 4.638 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001451901620 1067197257 /nfs/dbraw/zinc/19/72/57/1067197257.db2.gz TVUHNLYFHIAXFT-HUUCEWRRSA-N 0 0 451.778 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001451909957 1067197204 /nfs/dbraw/zinc/19/72/04/1067197204.db2.gz FBLNKLWKGKBYQT-QZTJIDSGSA-N 0 0 466.504 4.516 20 0 JJADRN O=S(=O)(c1ccccc1)c1ccc(OCCOc2cc(F)cc(Br)c2)cc1 ZINC001458919995 1067197763 /nfs/dbraw/zinc/19/77/63/1067197763.db2.gz KDXUVIYDUADHHV-UHFFFAOYSA-N 0 0 451.313 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1C[C@]1(C)CCCS1 ZINC001545845777 1067198003 /nfs/dbraw/zinc/19/80/03/1067198003.db2.gz RGZBRUUSBVOGFQ-DEOSSOPVSA-N 0 0 477.625 4.929 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCCC1(C)C ZINC001545845819 1067198028 /nfs/dbraw/zinc/19/80/28/1067198028.db2.gz SYKUAIALQTUVDA-HHHXNRCGSA-N 0 0 480.657 4.646 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001546034682 1067197946 /nfs/dbraw/zinc/19/79/46/1067197946.db2.gz BOFGGCRVYKMIMG-HSZRJFAPSA-N 0 0 497.684 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC001451914036 1067198082 /nfs/dbraw/zinc/19/80/82/1067198082.db2.gz KCMQVVHHCONGJT-RHSMWYFYSA-N 0 0 457.796 4.503 20 0 JJADRN CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001458923285 1067198363 /nfs/dbraw/zinc/19/83/63/1067198363.db2.gz BMCSDMGTCOAFHW-HSZRJFAPSA-N 0 0 458.583 4.953 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2cccs2)n1Cc1cccc(C(F)(F)F)n1 ZINC001545845899 1067198641 /nfs/dbraw/zinc/19/86/41/1067198641.db2.gz VUZXHQYMGYITLY-UHFFFAOYSA-N 0 0 480.560 4.747 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC001451927701 1067198711 /nfs/dbraw/zinc/19/87/11/1067198711.db2.gz XLRJPNIKBMZHIV-DENIHFKCSA-N 0 0 454.368 4.812 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC001451927718 1067198827 /nfs/dbraw/zinc/19/88/27/1067198827.db2.gz XLRJPNIKBMZHIV-SIKLNZKXSA-N 0 0 454.368 4.812 20 0 JJADRN O=C(Nc1ccc(COCCO)cc1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001451930082 1067199451 /nfs/dbraw/zinc/19/94/51/1067199451.db2.gz WJCOENMVVXIEBT-JOCHJYFZSA-N 0 0 456.336 4.717 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001458929709 1067199964 /nfs/dbraw/zinc/19/99/64/1067199964.db2.gz MKIKISJWORQRAP-MAUKXSAKSA-N 0 0 455.967 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCc1cc(C)ccc1OC ZINC001545848408 1067200080 /nfs/dbraw/zinc/20/00/80/1067200080.db2.gz AJZVUJWXRWCLFG-LJQANCHMSA-N 0 0 455.647 4.629 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CCc1ccc(N(C)C)cc1 ZINC001545848426 1067200003 /nfs/dbraw/zinc/20/00/03/1067200003.db2.gz ASCDIKDHESKXRD-WUMKDDEVSA-N 0 0 466.674 4.520 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451941644 1067200136 /nfs/dbraw/zinc/20/01/36/1067200136.db2.gz KOHHEKLMHNCWPI-HOTGVXAUSA-N 0 0 451.361 4.925 20 0 JJADRN C[C@H](S[C@@H](C)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458927234 1067200143 /nfs/dbraw/zinc/20/01/43/1067200143.db2.gz AYHACWZIMRMAOZ-IRXDYDNUSA-N 0 0 450.601 4.822 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001545848691 1067200407 /nfs/dbraw/zinc/20/04/07/1067200407.db2.gz DVQMNADXULZDCY-WOJBJXKFSA-N 0 0 494.709 4.969 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCC1 ZINC001458930309 1067200610 /nfs/dbraw/zinc/20/06/10/1067200610.db2.gz NDFDSOMAHLSNIG-KRWDZBQOSA-N 0 0 451.954 4.678 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545849351 1067202468 /nfs/dbraw/zinc/20/24/68/1067202468.db2.gz NOGACNGFOHWYLJ-IBGZPJMESA-N 0 0 482.673 4.834 20 0 JJADRN C[C@@H](S[C@@H](C)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458937528 1067202910 /nfs/dbraw/zinc/20/29/10/1067202910.db2.gz PBVLRDFLDNQDFE-DLBZAZTESA-N 0 0 450.601 4.822 20 0 JJADRN C[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458937531 1067202960 /nfs/dbraw/zinc/20/29/60/1067202960.db2.gz PBVLRDFLDNQDFE-IAGOWNOFSA-N 0 0 450.601 4.822 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1cc(Br)cc(Br)c1N)CCCC2 ZINC001451998991 1067203094 /nfs/dbraw/zinc/20/30/94/1067203094.db2.gz NAVGBZHACOJYLB-UHFFFAOYSA-N 0 0 454.162 4.786 20 0 JJADRN C[C@H]1CC2(CN1C(=O)COc1cccc(C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452009798 1067203122 /nfs/dbraw/zinc/20/31/22/1067203122.db2.gz CGRNQLDFOSHKCZ-INIZCTEOSA-N 0 0 456.505 4.722 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(F)cc1 ZINC001546035143 1067203227 /nfs/dbraw/zinc/20/32/27/1067203227.db2.gz MEKJRBLWUILEDO-UHFFFAOYSA-N 0 0 489.636 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC1(c2ccccc2OC)CC1 ZINC001545849445 1067203274 /nfs/dbraw/zinc/20/32/74/1067203274.db2.gz ORJQAWGVLYSFQU-MOPGFXCFSA-N 0 0 453.631 4.562 20 0 JJADRN C[C@@H](c1ccc(Cn2nnc(-c3ccccc3I)n2)cc1)C(F)(F)F ZINC001458940325 1067203296 /nfs/dbraw/zinc/20/32/96/1067203296.db2.gz XVMBFCFBJWLFJE-NSHDSACASA-N 0 0 458.225 4.659 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2CCCNC(=O)C(C)C)C1 ZINC001546104973 1067203361 /nfs/dbraw/zinc/20/33/61/1067203361.db2.gz PKTCKDBBTWDIKT-UHFFFAOYSA-N 0 0 476.463 4.886 20 0 JJADRN C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CC(=O)c2ccc(OCc3ccccc3)cc2)C1=O ZINC001458939045 1067203370 /nfs/dbraw/zinc/20/33/70/1067203370.db2.gz HODPSCGSHINFMI-QHCPKHFHSA-N 0 0 454.935 4.630 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001545849625 1067203787 /nfs/dbraw/zinc/20/37/87/1067203787.db2.gz RPNBYIXYYJACJY-LPHOPBHVSA-N 0 0 489.064 4.812 20 0 JJADRN CN1C(=O)NCC12CCN(C(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)CC2 ZINC001452022899 1067204145 /nfs/dbraw/zinc/20/41/45/1067204145.db2.gz DLICRPNUBUVCQB-UHFFFAOYSA-N 0 0 452.313 4.555 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1ccc(N(CC)CC)nc1 ZINC001545849824 1067204187 /nfs/dbraw/zinc/20/41/87/1067204187.db2.gz VMKCWOPIULBSIQ-AJSBUHFISA-N 0 0 481.689 4.501 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001452026975 1067204245 /nfs/dbraw/zinc/20/42/45/1067204245.db2.gz KIYMNBGHARKPCI-QHCPKHFHSA-N 0 0 452.576 4.680 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cn1c(=O)onc1-c1cccc(Oc2ccccc2)c1 ZINC001458944051 1067204326 /nfs/dbraw/zinc/20/43/26/1067204326.db2.gz DRRGXBDCYUXPCA-MJGOQNOKSA-N 0 0 451.523 4.799 20 0 JJADRN COc1ccc(Cl)cc1CC(=O)OCc1ccc(I)c(Cl)c1 ZINC001458946672 1067204855 /nfs/dbraw/zinc/20/48/55/1067204855.db2.gz CDJNGMWMHNZRDP-UHFFFAOYSA-N 0 0 451.087 4.893 20 0 JJADRN CCCN1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)c2ccc(F)cc21 ZINC001458947362 1067205173 /nfs/dbraw/zinc/20/51/73/1067205173.db2.gz PBMGEXBUKTXDTQ-UHFFFAOYSA-N 0 0 459.315 4.880 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001452049817 1067205449 /nfs/dbraw/zinc/20/54/49/1067205449.db2.gz XDTJZISZAMGMHZ-UHFFFAOYSA-N 0 0 450.367 4.865 20 0 JJADRN Cc1nc(-c2cc(NC(=O)c3cc(F)cc(Br)c3N)cc(C(F)(F)F)c2)n[nH]1 ZINC001452074257 1067205919 /nfs/dbraw/zinc/20/59/19/1067205919.db2.gz ZIGMIYNZIHEGJW-UHFFFAOYSA-N 0 0 458.213 4.535 20 0 JJADRN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001452089482 1067206519 /nfs/dbraw/zinc/20/65/19/1067206519.db2.gz ZPDSAGZPPDXEFZ-RUZDIDTESA-N 0 0 452.551 4.864 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(C)cc3O)n2)cc1 ZINC001452091158 1067206599 /nfs/dbraw/zinc/20/65/99/1067206599.db2.gz ZIQKCEVLQZRGRK-UHFFFAOYSA-N 0 0 453.564 4.762 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)OCc1ccc(I)c(Cl)c1 ZINC001458951954 1067206918 /nfs/dbraw/zinc/20/69/18/1067206918.db2.gz WHEWGBUXQZYRLH-UHFFFAOYSA-N 0 0 457.651 4.787 20 0 JJADRN CCc1c(NC(=O)Cc2ccccc2O[C@H]2CCOC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458952362 1067206926 /nfs/dbraw/zinc/20/69/26/1067206926.db2.gz GEHMMKSBTXYVEZ-IBGZPJMESA-N 0 0 459.468 4.802 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001546035720 1067207118 /nfs/dbraw/zinc/20/71/18/1067207118.db2.gz XVLZRAZYVPLBKS-VQTJNVASSA-N 0 0 487.645 4.531 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)C[C@]3(O)CCc4ccccc43)c2)cc1 ZINC001452108969 1067207779 /nfs/dbraw/zinc/20/77/79/1067207779.db2.gz VCQCGXXOVUGSBB-GDLZYMKVSA-N 0 0 457.570 4.693 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)COc3ccc4cc(Br)ccc4c3)cc2)nn1 ZINC001458954293 1067207815 /nfs/dbraw/zinc/20/78/15/1067207815.db2.gz LIJPEOUJBLDYJT-UHFFFAOYSA-N 0 0 452.308 4.865 20 0 JJADRN CCc1c(NC(=O)c2ccc(-c3ncnn3CC)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458954919 1067207875 /nfs/dbraw/zinc/20/78/75/1067207875.db2.gz OMUUYNXMNSMCFN-UHFFFAOYSA-N 0 0 454.456 4.984 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(Cc1c(C)cccc1C)CC(C)C ZINC001452137350 1067208429 /nfs/dbraw/zinc/20/84/29/1067208429.db2.gz MQYJHLRVSQKHKG-UHFFFAOYSA-N 0 0 452.624 4.744 20 0 JJADRN Cc1cnc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)CC2)s1 ZINC001458955911 1067208501 /nfs/dbraw/zinc/20/85/01/1067208501.db2.gz XIOGRJFXZASESG-SFHVURJKSA-N 0 0 452.407 4.769 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001452138389 1067208771 /nfs/dbraw/zinc/20/87/71/1067208771.db2.gz RKXADYHMIKIWOB-HCXYKTFWSA-N 0 0 455.640 4.561 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCC(c4ncco4)CC3)ccc21 ZINC001452139874 1067208793 /nfs/dbraw/zinc/20/87/93/1067208793.db2.gz STICBVPMUKZZQC-UHFFFAOYSA-N 0 0 452.555 4.564 20 0 JJADRN Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 ZINC001452147094 1067209510 /nfs/dbraw/zinc/20/95/10/1067209510.db2.gz HLJIXWPKRFQHES-UHFFFAOYSA-N 0 0 459.365 4.556 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Br)s2)nc1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC001452145435 1067209525 /nfs/dbraw/zinc/20/95/25/1067209525.db2.gz BBYOMTQDUFDDRP-UHFFFAOYSA-N 0 0 450.318 4.524 20 0 JJADRN COc1cc(CCC(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)ccc1OCC(F)(F)F ZINC001452142639 1067209532 /nfs/dbraw/zinc/20/95/32/1067209532.db2.gz DDUIKTJGXHSBQI-UHFFFAOYSA-N 0 0 459.505 4.539 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCC[C@@]1(C)C(=O)OC ZINC001458960451 1067209569 /nfs/dbraw/zinc/20/95/69/1067209569.db2.gz FKVGKZFLBZVTNW-FQEVSTJZSA-N 0 0 457.518 4.501 20 0 JJADRN CCc1ccc2ccccc2c1CN1C(=O)N[C@H](c2cc(Br)ccc2OC)C1=O ZINC001458960343 1067209618 /nfs/dbraw/zinc/20/96/18/1067209618.db2.gz PHISCDWMARVXQZ-OAQYLSRUSA-N 0 0 453.336 4.966 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001452151235 1067209972 /nfs/dbraw/zinc/20/99/72/1067209972.db2.gz MZKVWVNUGMNMSR-GAJHUEQPSA-N 0 0 454.542 4.721 20 0 JJADRN CC[C@@](O)(C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1cccc(Cl)c1 ZINC001452150477 1067209990 /nfs/dbraw/zinc/20/99/90/1067209990.db2.gz MICROFKAEJAWHB-SFHVURJKSA-N 0 0 452.761 4.857 20 0 JJADRN COc1ccc(C[C@]2(C)NC(=O)N(Cc3ccc(Oc4ccccc4F)c(F)c3)C2=O)cc1 ZINC001458962836 1067210476 /nfs/dbraw/zinc/21/04/76/1067210476.db2.gz XQPJSOMKVLTWDV-VWLOTQADSA-N 0 0 452.457 4.819 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@H]1CC[C@@H](C(=O)OCC)C1)C1CC1 ZINC001458964245 1067210979 /nfs/dbraw/zinc/21/09/79/1067210979.db2.gz REJYXAMQNCSFQS-IQUTYRLHSA-N 0 0 456.366 4.568 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cnc2n1[C@@H](C)CCC2)C1CC1 ZINC001458963750 1067211005 /nfs/dbraw/zinc/21/10/05/1067211005.db2.gz PKRSJIAAGMBVCE-RBZFPXEDSA-N 0 0 450.366 4.996 20 0 JJADRN O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(NCCc3ccccn3)cc2)cc1 ZINC001452159374 1067211043 /nfs/dbraw/zinc/21/10/43/1067211043.db2.gz AKAGSMQCLUTJAX-UHFFFAOYSA-N 0 0 450.542 4.919 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)nc2)C1 ZINC001546105197 1067212014 /nfs/dbraw/zinc/21/20/14/1067212014.db2.gz YLRLXHNZUSYDTH-UHFFFAOYSA-N 0 0 459.392 4.504 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001546105182 1067212021 /nfs/dbraw/zinc/21/20/21/1067212021.db2.gz XUUCAHMOIGBZAV-UHFFFAOYSA-N 0 0 495.466 4.967 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001546036891 1067212052 /nfs/dbraw/zinc/21/20/52/1067212052.db2.gz MILGIEVPNUHAPT-FXAWDEMLSA-N 0 0 473.395 4.718 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001546036893 1067212093 /nfs/dbraw/zinc/21/20/93/1067212093.db2.gz MILGIEVPNUHAPT-XLIONFOSSA-N 0 0 473.395 4.718 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 ZINC001452173956 1067212124 /nfs/dbraw/zinc/21/21/24/1067212124.db2.gz CRUYXTMIOPQRPP-SFHVURJKSA-N 0 0 458.864 4.687 20 0 JJADRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)c3ccnc(OCC(F)(F)F)c3)c12 ZINC001458967387 1067212473 /nfs/dbraw/zinc/21/24/73/1067212473.db2.gz XSXNMJLXFSNKPH-UHFFFAOYSA-N 0 0 455.440 4.934 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001452181553 1067212616 /nfs/dbraw/zinc/21/26/16/1067212616.db2.gz OYWWHWKNEYYPFV-LJQANCHMSA-N 0 0 450.388 4.765 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@H](CCO)c1ccccc1F ZINC001452186858 1067213239 /nfs/dbraw/zinc/21/32/39/1067213239.db2.gz MZMVAGNIDAKEER-GOSISDBHSA-N 0 0 452.313 4.745 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)NCc1ccc(C2CCC2)cc1)Cc1ccccc1 ZINC001458970313 1067213177 /nfs/dbraw/zinc/21/31/77/1067213177.db2.gz XCUZUECUKCBWCH-UHFFFAOYSA-N 0 0 451.611 4.597 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC001452200136 1067213789 /nfs/dbraw/zinc/21/37/89/1067213789.db2.gz XTOMFCOJQZENAK-JTQLQIEISA-N 0 0 451.923 4.507 20 0 JJADRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)c1cccn(Cc2ccccc2)c1=O ZINC001458972768 1067213857 /nfs/dbraw/zinc/21/38/57/1067213857.db2.gz IGFOCKDJSVMPCT-UHFFFAOYSA-N 0 0 450.420 4.625 20 0 JJADRN O=C(CCCCc1ccc(Br)cc1)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC001458974415 1067214160 /nfs/dbraw/zinc/21/41/60/1067214160.db2.gz SDCIVQYIGGRAHX-UHFFFAOYSA-N 0 0 453.384 4.929 20 0 JJADRN O=C(NCc1cc(Cl)ccc1Br)c1sccc1NC(=O)c1ccncc1 ZINC001452208142 1067214369 /nfs/dbraw/zinc/21/43/69/1067214369.db2.gz YETKBXMMKXFBHF-UHFFFAOYSA-N 0 0 450.745 4.741 20 0 JJADRN Cc1cnnn1-c1ccc(NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001452214940 1067214397 /nfs/dbraw/zinc/21/43/97/1067214397.db2.gz AQRSFVNPJSOTRI-VWLOTQADSA-N 0 0 456.546 4.853 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001458975725 1067214735 /nfs/dbraw/zinc/21/47/35/1067214735.db2.gz JRIDIPNTCYFXGA-KRWDZBQOSA-N 0 0 454.514 4.995 20 0 JJADRN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC001458976701 1067215330 /nfs/dbraw/zinc/21/53/30/1067215330.db2.gz IGGZIDXSIUUWIJ-UHFFFAOYSA-N 0 0 455.996 4.795 20 0 JJADRN C[C@H](Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1)C(=O)NCC1CCCCC1 ZINC001458979241 1067216176 /nfs/dbraw/zinc/21/61/76/1067216176.db2.gz BYFUFEYTWRINBC-HNNXBMFYSA-N 0 0 457.003 4.555 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC001452257876 1067216276 /nfs/dbraw/zinc/21/62/76/1067216276.db2.gz PSMAWAKMXPCGPR-UHFFFAOYSA-N 0 0 451.539 4.774 20 0 JJADRN Clc1ccc(-n2c(SCc3cccc(Br)n3)nnc2-c2cnccn2)cc1 ZINC001458980292 1067216646 /nfs/dbraw/zinc/21/66/46/1067216646.db2.gz FEINHUAVWDYBRI-UHFFFAOYSA-N 0 0 459.760 4.828 20 0 JJADRN O=C(c1cccc(OCc2ccccc2Br)c1)N1CCc2cc(Cl)nnc2C1 ZINC001452271016 1067217295 /nfs/dbraw/zinc/21/72/95/1067217295.db2.gz LGKMSUSXHXARRN-UHFFFAOYSA-N 0 0 458.743 4.670 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(C)c1 ZINC001546037365 1067217379 /nfs/dbraw/zinc/21/73/79/1067217379.db2.gz CCCDOBBWVPDWMK-DEOSSOPVSA-N 0 0 459.619 4.952 20 0 JJADRN O=S(=O)(c1ccc(SCc2ccc(I)cc2)cc1)C(F)(F)F ZINC001458982278 1067217732 /nfs/dbraw/zinc/21/77/32/1067217732.db2.gz MZQLXCONZBQMMP-UHFFFAOYSA-N 0 0 458.264 4.877 20 0 JJADRN CN(C)C(=O)Cc1nc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cs1 ZINC001458982859 1067217757 /nfs/dbraw/zinc/21/77/57/1067217757.db2.gz BKBUTRMLSRSKML-UHFFFAOYSA-N 0 0 459.984 4.560 20 0 JJADRN CCOC(=O)c1cn(CC(=O)c2c(C)cc(C)cc2C)c2cc(Br)ccc2c1=O ZINC001458982303 1067217761 /nfs/dbraw/zinc/21/77/61/1067217761.db2.gz NEKQZWQJNAMPAG-UHFFFAOYSA-N 0 0 456.336 4.749 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452272913 1067217880 /nfs/dbraw/zinc/21/78/80/1067217880.db2.gz QBOHYYIBPMINNS-CIAFKFPVSA-N 0 0 472.626 4.654 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)c2cccc(Oc3nccs3)c2)C1)NCc1ccc(F)cc1 ZINC001452272871 1067217922 /nfs/dbraw/zinc/21/79/22/1067217922.db2.gz GJXBFRHMXRIPJK-SFHVURJKSA-N 0 0 453.539 4.633 20 0 JJADRN CCOc1cccc(-c2nnc(SCc3ccc(OC)c(SC(F)(F)F)c3)n2N)c1 ZINC001458983130 1067218198 /nfs/dbraw/zinc/21/81/98/1067218198.db2.gz DFQVBQPIRAWFLW-UHFFFAOYSA-N 0 0 456.515 4.970 20 0 JJADRN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001458983443 1067218635 /nfs/dbraw/zinc/21/86/35/1067218635.db2.gz XAJGNZSIWSCHGE-GOSISDBHSA-N 0 0 456.502 4.505 20 0 JJADRN C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001458983530 1067218783 /nfs/dbraw/zinc/21/87/83/1067218783.db2.gz PZRPUWSKRDIAKX-AWEZNQCLSA-N 0 0 458.527 4.700 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452288833 1067218915 /nfs/dbraw/zinc/21/89/15/1067218915.db2.gz KVOKTGNIEJMZPK-HXUWFJFHSA-N 0 0 456.558 4.572 20 0 JJADRN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)CCCCc2ccc(I)cc2)cc1 ZINC001452306590 1067219355 /nfs/dbraw/zinc/21/93/55/1067219355.db2.gz FJVPGMYCQMINDX-IERDGZPVSA-N 0 0 451.348 4.551 20 0 JJADRN Cn1c(COc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001458985310 1067219643 /nfs/dbraw/zinc/21/96/43/1067219643.db2.gz OBNDUOBOTZXOKC-HSZRJFAPSA-N 0 0 454.571 4.673 20 0 JJADRN CCn1c(SCc2ccnc(-c3ccc(Br)cc3)n2)nnc1-c1cccnc1 ZINC001458985283 1067219727 /nfs/dbraw/zinc/21/97/27/1067219727.db2.gz MXSYDWFJEFLHDE-UHFFFAOYSA-N 0 0 453.369 4.872 20 0 JJADRN CCOP(=O)(CN(C)C(=O)c1cccnc1Oc1cccc(Br)c1)OCC ZINC001452324678 1067219724 /nfs/dbraw/zinc/21/97/24/1067219724.db2.gz FUOHKIRIHKGVJE-UHFFFAOYSA-N 0 0 457.261 4.932 20 0 JJADRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2cnc3ncc(Br)cc3c2)n[nH]1 ZINC001452330899 1067219803 /nfs/dbraw/zinc/21/98/03/1067219803.db2.gz CXEMIVJSRYLVCB-UHFFFAOYSA-N 0 0 458.703 4.697 20 0 JJADRN CCC[C@H](C)c1cc(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)n[nH]1 ZINC001452320676 1067219840 /nfs/dbraw/zinc/21/98/40/1067219840.db2.gz ALUUTONGDGUVBK-AWEZNQCLSA-N 0 0 452.511 4.541 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)n[nH]2)c1 ZINC001452324743 1067219920 /nfs/dbraw/zinc/21/99/20/1067219920.db2.gz RDLACDGPJKNYJR-LJQANCHMSA-N 0 0 454.477 4.538 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(F)(F)F)C1 ZINC001546104927 1067220180 /nfs/dbraw/zinc/22/01/80/1067220180.db2.gz NXIHKTFETFLFSS-UHFFFAOYSA-N 0 0 486.608 4.906 20 0 JJADRN COc1ccc(Cl)cc1-c1cc(NC(=O)CCCCNC(=O)OCc2ccccc2)n[nH]1 ZINC001452336809 1067220263 /nfs/dbraw/zinc/22/02/63/1067220263.db2.gz LBEORJSVCSHGAC-UHFFFAOYSA-N 0 0 456.930 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NCc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC001452340606 1067220412 /nfs/dbraw/zinc/22/04/12/1067220412.db2.gz FJQBLYMJJQQDNI-NRFANRHFSA-N 0 0 452.599 4.900 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458987362 1067220704 /nfs/dbraw/zinc/22/07/04/1067220704.db2.gz XHCSJIQCKUINLA-HXUWFJFHSA-N 0 0 455.486 4.741 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCC[C@@H](c4cccnc4)C3)cc2Br)on1 ZINC001452371620 1067220770 /nfs/dbraw/zinc/22/07/70/1067220770.db2.gz AZPJFNOZMUPEMU-GOSISDBHSA-N 0 0 456.340 4.739 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)cc1OCC ZINC001452347160 1067220813 /nfs/dbraw/zinc/22/08/13/1067220813.db2.gz LYLNMTQLDPALGC-UHFFFAOYSA-N 0 0 451.951 4.708 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001452346726 1067220822 /nfs/dbraw/zinc/22/08/22/1067220822.db2.gz SVAKVKUDSBOEEH-UHFFFAOYSA-N 0 0 453.365 4.822 20 0 JJADRN CC(C)Oc1cccc(-c2nnc(SCc3csc(CCc4ccccc4)n3)n2N)c1 ZINC001458987635 1067221033 /nfs/dbraw/zinc/22/10/33/1067221033.db2.gz JLPVGYBKPJGKDU-UHFFFAOYSA-N 0 0 451.621 4.980 20 0 JJADRN CCc1ccc(C(=O)Oc2cc(Cl)c(Br)cc2Cl)cc1S(C)(=O)=O ZINC001458990849 1067222073 /nfs/dbraw/zinc/22/20/73/1067222073.db2.gz GHYJLAMABDQXDU-UHFFFAOYSA-N 0 0 452.153 4.941 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl ZINC001452413939 1067222453 /nfs/dbraw/zinc/22/24/53/1067222453.db2.gz GAZHABOQXIQIMH-SFHVURJKSA-N 0 0 452.986 4.972 20 0 JJADRN CCc1ccc([C@]2(CC)NC(=O)N(Cc3c(C(=O)OC)sc4cccc(F)c43)C2=O)cc1 ZINC001458992848 1067222626 /nfs/dbraw/zinc/22/26/26/1067222626.db2.gz CILDVGNSMOPMBT-DEOSSOPVSA-N 0 0 454.523 4.747 20 0 JJADRN CCc1c(C(=O)Nc2ccnc(OCc3ccccc3)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001452416894 1067222814 /nfs/dbraw/zinc/22/28/14/1067222814.db2.gz JDPSYGICNDMSAX-UHFFFAOYSA-N 0 0 457.534 4.843 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001452419187 1067222850 /nfs/dbraw/zinc/22/28/50/1067222850.db2.gz OLKCYNGGGVTCNQ-DEOSSOPVSA-N 0 0 458.558 4.781 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCC3CCN(CC(F)(F)F)CC3)cc12 ZINC001458993540 1067222929 /nfs/dbraw/zinc/22/29/29/1067222929.db2.gz DPEQTRGCBFSHQW-UHFFFAOYSA-N 0 0 454.493 4.539 20 0 JJADRN CCc1ccc([C@@]2(CC)NC(=O)N(Cc3c(C(=O)OC)sc4cccc(F)c43)C2=O)cc1 ZINC001458992870 1067223017 /nfs/dbraw/zinc/22/30/17/1067223017.db2.gz CILDVGNSMOPMBT-XMMPIXPASA-N 0 0 454.523 4.747 20 0 JJADRN CCn1c(=O)c2cc(F)ccc2nc1SCc1ccc(OC)c(OC)c1Br ZINC001458994162 1067223222 /nfs/dbraw/zinc/22/32/22/1067223222.db2.gz FVCPJPIUJGHKNY-UHFFFAOYSA-N 0 0 453.333 4.628 20 0 JJADRN CC1(C)C(c2cc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)n[nH]2)C1(C)C ZINC001452431066 1067223777 /nfs/dbraw/zinc/22/37/77/1067223777.db2.gz NVECHXUYVLQQHT-UHFFFAOYSA-N 0 0 456.543 4.752 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC001452430475 1067223908 /nfs/dbraw/zinc/22/39/08/1067223908.db2.gz FKKASKDQNWTKNS-FQEVSTJZSA-N 0 0 452.776 4.892 20 0 JJADRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NCCc1ccccc1C ZINC001458997005 1067224370 /nfs/dbraw/zinc/22/43/70/1067224370.db2.gz NYKHLOHVXAFZQG-KRWDZBQOSA-N 0 0 459.015 4.678 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(CO)cc3)cc2)c(C)c1C ZINC001452445185 1067224427 /nfs/dbraw/zinc/22/44/27/1067224427.db2.gz WPKJKFHOAGUNRN-UHFFFAOYSA-N 0 0 452.576 4.774 20 0 JJADRN Cc1cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001458998019 1067225422 /nfs/dbraw/zinc/22/54/22/1067225422.db2.gz LIESQDJHVFGGLR-UHFFFAOYSA-N 0 0 459.312 4.827 20 0 JJADRN C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC001458999203 1067225724 /nfs/dbraw/zinc/22/57/24/1067225724.db2.gz LIYDFIMIYVZBOK-LVCYWYKZSA-N 0 0 454.596 4.674 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)nn1C ZINC001452463315 1067225821 /nfs/dbraw/zinc/22/58/21/1067225821.db2.gz IAOQVEKBMJPEGM-UHFFFAOYSA-N 0 0 451.449 4.506 20 0 JJADRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3Br)CCCCC2)C1 ZINC001452478917 1067226226 /nfs/dbraw/zinc/22/62/26/1067226226.db2.gz GMYVEMKLCVASKR-APWZRJJASA-N 0 0 454.380 4.709 20 0 JJADRN C[C@@H](C(=O)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001459001966 1067226676 /nfs/dbraw/zinc/22/66/76/1067226676.db2.gz UBPFXVHWWVMEGJ-ZMLRMANQSA-N 0 0 452.256 4.619 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)COc1cc(Br)ccc1Cl ZINC001459002786 1067226810 /nfs/dbraw/zinc/22/68/10/1067226810.db2.gz WTFSGBYPYSCADT-UHFFFAOYSA-N 0 0 453.583 4.964 20 0 JJADRN CCc1c[nH]c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)n1 ZINC001459003804 1067227192 /nfs/dbraw/zinc/22/71/92/1067227192.db2.gz YXCUPTDJRMVFSS-UHFFFAOYSA-N 0 0 453.593 4.740 20 0 JJADRN COc1ccccc1SCC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459004181 1067227708 /nfs/dbraw/zinc/22/77/08/1067227708.db2.gz KTVCBMGTTMEFHE-UHFFFAOYSA-N 0 0 450.398 4.758 20 0 JJADRN C[C@]1(C(=O)NCCCCc2nc(-c3ccccn3)cs2)CC(c2ccccc2Cl)=NO1 ZINC001452496249 1067228139 /nfs/dbraw/zinc/22/81/39/1067228139.db2.gz IAMBMAFUVBGWBW-HSZRJFAPSA-N 0 0 454.983 4.881 20 0 JJADRN C[C@@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452493544 1067228151 /nfs/dbraw/zinc/22/81/51/1067228151.db2.gz HXVUVLOZXJFTIN-OWCLPIDISA-N 0 0 466.607 4.876 20 0 JJADRN O=C(Cc1c[nH]c2cc(Br)ccc12)NCCCc1nc(-c2ccccn2)cs1 ZINC001452496733 1067228640 /nfs/dbraw/zinc/22/86/40/1067228640.db2.gz PARMEJSJGXXMPG-UHFFFAOYSA-N 0 0 455.381 4.740 20 0 JJADRN CC(C)C[C@H](CNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)CC(=O)O[C@H]1CCOC1 ZINC001452496816 1067228661 /nfs/dbraw/zinc/22/86/61/1067228661.db2.gz SFPQERGMVXMZIV-VQHJOYQZSA-N 0 0 459.583 4.929 20 0 JJADRN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1[nH]nc2ccc(Br)cc21 ZINC001452498135 1067229060 /nfs/dbraw/zinc/22/90/60/1067229060.db2.gz LJUFPPYYXLXUSL-UHFFFAOYSA-N 0 0 456.369 4.597 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001459013860 1067229251 /nfs/dbraw/zinc/22/92/51/1067229251.db2.gz MNTFYGJUHSHZJH-WMLDXEAASA-N 0 0 450.423 4.996 20 0 JJADRN CC(C)Oc1cccc([C@@H](C)OC(=O)CCS(=O)(=O)c2cccc(Br)c2)c1 ZINC001459013985 1067229313 /nfs/dbraw/zinc/22/93/13/1067229313.db2.gz BTKUOEHROAPYPS-OAHLLOKOSA-N 0 0 455.370 4.705 20 0 JJADRN Cc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)n1[C@@H](C)c1ccccc1 ZINC001452499179 1067229481 /nfs/dbraw/zinc/22/94/81/1067229481.db2.gz ZBPHZFGMCZUMPG-KXBFYZLASA-N 0 0 453.505 4.900 20 0 JJADRN O=C(CCn1cc(Br)cn1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459017380 1067229755 /nfs/dbraw/zinc/22/97/55/1067229755.db2.gz ZVUGIMNIZUKPLP-ZDUSSCGKSA-N 0 0 458.200 4.864 20 0 JJADRN Cc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)c(I)n1 ZINC001459020005 1067230180 /nfs/dbraw/zinc/23/01/80/1067230180.db2.gz ONLONAVPWVRZKX-UHFFFAOYSA-N 0 0 458.299 4.603 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1cccc(OC(C)C)c1 ZINC001459020044 1067230213 /nfs/dbraw/zinc/23/02/13/1067230213.db2.gz VGXXREKLIFMRBZ-CQSZACIVSA-N 0 0 455.370 4.866 20 0 JJADRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc(C(C)C)cc1=O ZINC001459022864 1067230631 /nfs/dbraw/zinc/23/06/31/1067230631.db2.gz ZZKAJHCBCGBNRH-UHFFFAOYSA-N 0 0 459.955 4.564 20 0 JJADRN Cc1c(C(=O)N2CCCC3(CCCCC3)CC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459023828 1067230775 /nfs/dbraw/zinc/23/07/75/1067230775.db2.gz JDZBOJBLFILXHZ-UHFFFAOYSA-N 0 0 459.635 4.735 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)cc(F)c1Br ZINC001459024746 1067231154 /nfs/dbraw/zinc/23/11/54/1067231154.db2.gz OXZYFOUNSQNJIE-ZUOKHONESA-N 0 0 478.293 4.638 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC001459025349 1067231306 /nfs/dbraw/zinc/23/13/06/1067231306.db2.gz UPSKSBHCGJCAAM-SECBINFHSA-N 0 0 454.296 4.637 20 0 JJADRN CC(C)(C(=O)COc1ccc(I)c(Br)c1)c1ccccc1 ZINC001459026317 1067231772 /nfs/dbraw/zinc/23/17/72/1067231772.db2.gz NOABWKRVWPMPJU-UHFFFAOYSA-N 0 0 459.121 4.979 20 0 JJADRN Cc1cccc(C2(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3O)CC2)c1 ZINC001546105659 1067231828 /nfs/dbraw/zinc/23/18/28/1067231828.db2.gz RFCUOGNNGKLKFP-UHFFFAOYSA-N 0 0 456.951 4.825 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001546040020 1067232585 /nfs/dbraw/zinc/23/25/85/1067232585.db2.gz TXTKCOFVIPIHHG-SANMLTNESA-N 0 0 452.643 4.950 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)nc1 ZINC001452540725 1067233205 /nfs/dbraw/zinc/23/32/05/1067233205.db2.gz ZVMOXHDDPJSNIF-UHFFFAOYSA-N 0 0 458.584 4.801 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001546040177 1067233280 /nfs/dbraw/zinc/23/32/80/1067233280.db2.gz YONICTWNQIBTDF-OAQYLSRUSA-N 0 0 483.682 4.772 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CS(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC001459030357 1067233413 /nfs/dbraw/zinc/23/34/13/1067233413.db2.gz HNGRPORAQAYRSM-UHFFFAOYSA-N 0 0 454.495 4.625 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001459030751 1067233793 /nfs/dbraw/zinc/23/37/93/1067233793.db2.gz QBYAVSXKRKTDIQ-CYBMUJFWSA-N 0 0 453.360 4.912 20 0 JJADRN Cc1nnc(SCC(=O)NCCOc2cccc(C(F)(F)F)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC001459030813 1067233919 /nfs/dbraw/zinc/23/39/19/1067233919.db2.gz HAQFFLMEEQFYAP-RHSMWYFYSA-N 0 0 456.534 4.644 20 0 JJADRN Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)cc2)n1 ZINC001452558717 1067234100 /nfs/dbraw/zinc/23/41/00/1067234100.db2.gz BTSIHUXKHORTNV-UHFFFAOYSA-N 0 0 452.580 4.591 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncon1)c1cnc(-c2ccccc2Br)s1 ZINC001452570135 1067235273 /nfs/dbraw/zinc/23/52/73/1067235273.db2.gz FMBWWTMOXOPHMD-MRXNPFEDSA-N 0 0 455.337 4.669 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC001459034621 1067235344 /nfs/dbraw/zinc/23/53/44/1067235344.db2.gz NZSLDWDBCQJTHG-SNVBAGLBSA-N 0 0 459.182 4.663 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)[C@H]1CCCc2ccccc21 ZINC001546105763 1067235374 /nfs/dbraw/zinc/23/53/74/1067235374.db2.gz VILYCUZTTAIUAM-FQEVSTJZSA-N 0 0 456.951 4.905 20 0 JJADRN CC(=O)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC001459033853 1067235406 /nfs/dbraw/zinc/23/54/06/1067235406.db2.gz OBMWPQAXIXDRFN-UHFFFAOYSA-N 0 0 457.935 4.988 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC001452594194 1067235747 /nfs/dbraw/zinc/23/57/47/1067235747.db2.gz CHPLJMCRFKTTTN-UHFFFAOYSA-N 0 0 450.560 4.565 20 0 JJADRN CCCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(C)c1 ZINC001452603217 1067236127 /nfs/dbraw/zinc/23/61/27/1067236127.db2.gz KMCRUKXWPJEIMG-OALUTQOASA-N 0 0 459.608 4.807 20 0 JJADRN CC(=O)c1cc(Br)cc(F)c1OCCC(=O)Nc1cccc(Br)c1 ZINC001459038085 1067236311 /nfs/dbraw/zinc/23/63/11/1067236311.db2.gz FZDIQTIHYTYEOO-UHFFFAOYSA-N 0 0 459.109 4.961 20 0 JJADRN CCOC(=O)c1c(C)n[nH]c1CSc1nc2cc(F)ccc2n1CCOc1ccccc1 ZINC001459038842 1067236344 /nfs/dbraw/zinc/23/63/44/1067236344.db2.gz PYGDXJTZPHQZFP-UHFFFAOYSA-N 0 0 454.527 4.755 20 0 JJADRN CCc1nc(C(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001452611451 1067236845 /nfs/dbraw/zinc/23/68/45/1067236845.db2.gz ZGVWHIRZWRNEOC-RXVVDRJESA-N 0 0 459.377 4.865 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)[C@]1(C)CCc2ccccc21 ZINC001459042073 1067237225 /nfs/dbraw/zinc/23/72/25/1067237225.db2.gz BMPMBQXDBYROCW-NTKDMRAZSA-N 0 0 458.396 4.869 20 0 JJADRN COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)c(Br)c3)c2c1 ZINC001459041749 1067237271 /nfs/dbraw/zinc/23/72/71/1067237271.db2.gz FJHBWTUABFGVRO-UHFFFAOYSA-N 0 0 458.356 4.516 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(OC)c1 ZINC001459041940 1067237291 /nfs/dbraw/zinc/23/72/91/1067237291.db2.gz MSDKHKJQIWNKDT-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN COC(=O)[C@]12CN(C(=O)CCc3nc(C)c(-c4ccc(Br)cc4)o3)C[C@H]1CCCC2 ZINC001452621525 1067237764 /nfs/dbraw/zinc/23/77/64/1067237764.db2.gz GNFBNLUZUPGNLT-UZUQRXQVSA-N 0 0 475.383 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)COc3cc(Cl)cc(Cl)c3)cc2C1 ZINC001459042825 1067237818 /nfs/dbraw/zinc/23/78/18/1067237818.db2.gz NXKKGELDVOUNTG-UHFFFAOYSA-N 0 0 451.350 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccc(OCC(F)(F)F)cc3)cc2C1 ZINC001459043032 1067237836 /nfs/dbraw/zinc/23/78/36/1067237836.db2.gz QVNBFZYIOALXJY-UHFFFAOYSA-N 0 0 450.457 4.808 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CC(C)(C)CC(=O)c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452614419 1067237848 /nfs/dbraw/zinc/23/78/48/1067237848.db2.gz XOVLFIZYMVJMPS-FCHUYYIVSA-N 0 0 471.981 4.753 20 0 JJADRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1c[nH]nc1I ZINC001546040878 1067237885 /nfs/dbraw/zinc/23/78/85/1067237885.db2.gz NVOYTXVYOVDEPP-HKUYNNGSSA-N 0 0 457.315 4.606 20 0 JJADRN COC(=O)[C@]12CN(C(=O)c3ccccc3Sc3ccc(Br)cn3)C[C@H]1CCCC2 ZINC001452619592 1067237938 /nfs/dbraw/zinc/23/79/38/1067237938.db2.gz HARRJPRAZOIJBY-IVZQSRNASA-N 0 0 475.408 4.801 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCc2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452622399 1067238234 /nfs/dbraw/zinc/23/82/34/1067238234.db2.gz YPFLYGDPDPEGQW-VQTJNVASSA-N 0 0 464.787 4.840 20 0 JJADRN CN(CCC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)OCc1ccccc1 ZINC001459045580 1067238232 /nfs/dbraw/zinc/23/82/32/1067238232.db2.gz IRYSHHBVQWXEJE-UHFFFAOYSA-N 0 0 452.448 4.651 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)c(CO)c3)c12 ZINC001452627080 1067238312 /nfs/dbraw/zinc/23/83/12/1067238312.db2.gz YPKKBAVAHWKYQX-UHFFFAOYSA-N 0 0 456.271 4.844 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H]1c1ccccc1 ZINC001452626528 1067238387 /nfs/dbraw/zinc/23/83/87/1067238387.db2.gz FWDGADZWOWVXQT-ZRBLBEILSA-N 0 0 480.605 4.694 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)cc1 ZINC001452629596 1067238964 /nfs/dbraw/zinc/23/89/64/1067238964.db2.gz SUIBOYLQAVWNOY-FCHUYYIVSA-N 0 0 462.571 4.592 20 0 JJADRN O=C(C1CC1)N(Cc1cc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001459049484 1067239286 /nfs/dbraw/zinc/23/92/86/1067239286.db2.gz HWZGEHKPKMHNLF-UHFFFAOYSA-N 0 0 451.331 4.776 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001546041397 1067239407 /nfs/dbraw/zinc/23/94/07/1067239407.db2.gz APTLXYCRAPKZNA-VWLOTQADSA-N 0 0 458.647 4.711 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)cc2Cl)n1 ZINC001459051390 1067239680 /nfs/dbraw/zinc/23/96/80/1067239680.db2.gz KEPZZWOLPSFRLJ-OLZOCXBDSA-N 0 0 465.881 4.566 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459050872 1067239720 /nfs/dbraw/zinc/23/97/20/1067239720.db2.gz MLAQHPROHMQCGU-UHFFFAOYSA-N 0 0 450.526 4.784 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001546041571 1067239773 /nfs/dbraw/zinc/23/97/73/1067239773.db2.gz HNWUZFTUPOAEMT-SFHVURJKSA-N 0 0 454.537 4.804 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001546041482 1067239834 /nfs/dbraw/zinc/23/98/34/1067239834.db2.gz DJJQZMKTMGMTDM-SFHVURJKSA-N 0 0 489.089 4.577 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001546041508 1067239841 /nfs/dbraw/zinc/23/98/41/1067239841.db2.gz DZYUOVQZPMLZJM-MHECFPHRSA-N 0 0 495.089 4.549 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459054285 1067240087 /nfs/dbraw/zinc/24/00/87/1067240087.db2.gz URDKYCZWZORQIS-SJCJKPOMSA-N 0 0 454.445 4.813 20 0 JJADRN Cc1noc(CN(C)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)n1 ZINC001452649436 1067240361 /nfs/dbraw/zinc/24/03/61/1067240361.db2.gz HKDBXRWJEMAOCB-UHFFFAOYSA-N 0 0 450.351 4.725 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)CC2CCCCCC2)ccc1Br ZINC001459054856 1067240564 /nfs/dbraw/zinc/24/05/64/1067240564.db2.gz ZMKHTOMVCQNBRE-UHFFFAOYSA-N 0 0 459.450 4.568 20 0 JJADRN Cc1cc2c(ncnc2S[C@H](C)C(=O)Nc2ccc(I)cc2)s1 ZINC001459055222 1067240590 /nfs/dbraw/zinc/24/05/90/1067240590.db2.gz VSIFXYLWMGCLJZ-SNVBAGLBSA-N 0 0 455.346 4.724 20 0 JJADRN Cc1cc(C(=O)Cn2c(Br)nc(Br)c2Br)ccc1F ZINC001459058308 1067240881 /nfs/dbraw/zinc/24/08/81/1067240881.db2.gz RTGQJBIRZHSUNG-UHFFFAOYSA-N 0 0 454.919 4.501 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)nnn1CCOc1ccc(F)cc1 ZINC001459057459 1067240924 /nfs/dbraw/zinc/24/09/24/1067240924.db2.gz DJRMQQHULOKIRE-UHFFFAOYSA-N 0 0 458.921 4.889 20 0 JJADRN COc1ccc(-c2ccn(-c3ccc(S[C@@H](C(=O)NC4CCCC4)C(C)C)nn3)n2)cc1 ZINC001459058753 1067241257 /nfs/dbraw/zinc/24/12/57/1067241257.db2.gz RPJSTKANWBDBFC-HSZRJFAPSA-N 0 0 451.596 4.513 20 0 JJADRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2c(=O)onc2-c2ccc(F)c(Cl)c2)cc1 ZINC001459063884 1067242430 /nfs/dbraw/zinc/24/24/30/1067242430.db2.gz LMVLTFBKEKPWRG-HXUWFJFHSA-N 0 0 457.933 4.957 20 0 JJADRN C[C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC001459064037 1067242468 /nfs/dbraw/zinc/24/24/68/1067242468.db2.gz OCOAHVSYOQNCSC-GFCCVEGCSA-N 0 0 458.274 4.702 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 ZINC001546041959 1067242508 /nfs/dbraw/zinc/24/25/08/1067242508.db2.gz SENRIWLPOSUGRF-UHFFFAOYSA-N 0 0 470.658 4.855 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001546041975 1067242526 /nfs/dbraw/zinc/24/25/26/1067242526.db2.gz SNSJGOJAAXCSBW-NRFANRHFSA-N 0 0 496.656 4.915 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001546041976 1067242530 /nfs/dbraw/zinc/24/25/30/1067242530.db2.gz SNSJGOJAAXCSBW-OAQYLSRUSA-N 0 0 496.656 4.915 20 0 JJADRN CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c2ccccc21 ZINC001452681421 1067242902 /nfs/dbraw/zinc/24/29/02/1067242902.db2.gz LINRRRVKYXJXMF-NMNUPHIUSA-N 0 0 455.599 4.728 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)c2ccccc21 ZINC001459067854 1067242934 /nfs/dbraw/zinc/24/29/34/1067242934.db2.gz GXSZDYDCAFVJSM-QGZVFWFLSA-N 0 0 452.532 4.525 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452687455 1067243369 /nfs/dbraw/zinc/24/33/69/1067243369.db2.gz UCDWQZPCAPVKDJ-FKVLARQCSA-N 0 0 452.636 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001452682291 1067243380 /nfs/dbraw/zinc/24/33/80/1067243380.db2.gz NKRPOHSNAZJMON-WXFUMESZSA-N 0 0 456.627 4.950 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001452685235 1067243439 /nfs/dbraw/zinc/24/34/39/1067243439.db2.gz QXDLCXPQTBNCHH-DVWBAYGPSA-N 0 0 451.007 4.897 20 0 JJADRN COc1ccc(-c2nc(SCc3nc(-c4cccs4)no3)n[nH]2)cc1Br ZINC001459068885 1067243415 /nfs/dbraw/zinc/24/34/15/1067243415.db2.gz HZYICHKURVDIGJ-UHFFFAOYSA-N 0 0 450.343 4.647 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001452687945 1067243977 /nfs/dbraw/zinc/24/39/77/1067243977.db2.gz VDFJUVPRUAEGKF-QSGVYJICSA-N 0 0 458.599 4.552 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC001459071649 1067244733 /nfs/dbraw/zinc/24/47/33/1067244733.db2.gz DGUGKZVQRGLKKT-HHHXNRCGSA-N 0 0 457.530 4.810 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC001459071654 1067244937 /nfs/dbraw/zinc/24/49/37/1067244937.db2.gz DGUGKZVQRGLKKT-MHZLTWQESA-N 0 0 457.530 4.810 20 0 JJADRN COc1ccc(-c2nc(S[C@H](C)c3cn(-c4ccccc4)nn3)n[nH]2)cc1Br ZINC001459073882 1067245346 /nfs/dbraw/zinc/24/53/46/1067245346.db2.gz NZBUOXOVIKJVEA-GFCCVEGCSA-N 0 0 457.357 4.677 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c1 ZINC001459073777 1067245423 /nfs/dbraw/zinc/24/54/23/1067245423.db2.gz KLJUAXXDPYCWRH-UHFFFAOYSA-N 0 0 455.308 4.948 20 0 JJADRN Cc1c(C(=O)N(C)[C@H](c2ncc[nH]2)c2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452696524 1067245646 /nfs/dbraw/zinc/24/56/46/1067245646.db2.gz VMPROLRJKIQEJB-FQEVSTJZSA-N 0 0 457.431 4.923 20 0 JJADRN O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001452719706 1067246149 /nfs/dbraw/zinc/24/61/49/1067246149.db2.gz CDGLBHUDWZOAAX-KRWDZBQOSA-N 0 0 452.388 4.928 20 0 JJADRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(OC)c(Br)c2)n1 ZINC001459076959 1067246432 /nfs/dbraw/zinc/24/64/32/1067246432.db2.gz SQYSOBNOEJQMMF-OCCSQVGLSA-N 0 0 453.406 4.515 20 0 JJADRN COc1ccc(CSCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1Cl ZINC001459076728 1067246453 /nfs/dbraw/zinc/24/64/53/1067246453.db2.gz SDACBNMUAGJJJV-QGZVFWFLSA-N 0 0 458.889 4.888 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001452733069 1067247019 /nfs/dbraw/zinc/24/70/19/1067247019.db2.gz HTJLMKWRCUJUFY-UHFFFAOYSA-N 0 0 456.505 4.770 20 0 JJADRN Cc1cc(CCC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001452731964 1067247076 /nfs/dbraw/zinc/24/70/76/1067247076.db2.gz DXDMZEJIPIPQCZ-UHFFFAOYSA-N 0 0 453.421 4.844 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)c2ccccc21 ZINC001452739901 1067247559 /nfs/dbraw/zinc/24/75/59/1067247559.db2.gz ADHJGRVMUUKZFI-AEFFLSMTSA-N 0 0 456.340 4.626 20 0 JJADRN Cc1c(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(=O)n(C2CCCCC2)n1C ZINC001452736349 1067247600 /nfs/dbraw/zinc/24/76/00/1067247600.db2.gz YETSMODGOKCNTD-INIZCTEOSA-N 0 0 456.587 4.838 20 0 JJADRN CC(C)CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O ZINC001459082286 1067247917 /nfs/dbraw/zinc/24/79/17/1067247917.db2.gz RCFZCEUELFKQHK-SANMLTNESA-N 0 0 457.590 4.624 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cnc(Cl)cn1 ZINC001459086614 1067248771 /nfs/dbraw/zinc/24/87/71/1067248771.db2.gz PKRLMSGKHPLOHZ-ICSRJNTNSA-N 0 0 458.990 4.508 20 0 JJADRN Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[nH]c1=O ZINC001459089455 1067248835 /nfs/dbraw/zinc/24/88/35/1067248835.db2.gz CZOFDTFBXKBTRB-OXFYSEKESA-N 0 0 457.596 4.839 20 0 JJADRN CC(C)(C(=O)NC[C@@]1(CO)CCc2ccccc21)c1csc(-c2c(F)cccc2Cl)n1 ZINC001452765807 1067249461 /nfs/dbraw/zinc/24/94/61/1067249461.db2.gz FNKJGEHYVCOWRH-XMMPIXPASA-N 0 0 458.986 4.873 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC001452765937 1067249524 /nfs/dbraw/zinc/24/95/24/1067249524.db2.gz GJVQEXKYSDXGOI-NRFANRHFSA-N 0 0 451.567 4.550 20 0 JJADRN Cc1cc(C(=O)Cn2nnc(-c3ccc(Br)cc3C(F)(F)F)n2)cc(C)c1F ZINC001459095131 1067249697 /nfs/dbraw/zinc/24/96/97/1067249697.db2.gz GLFXVESTDBLOAZ-UHFFFAOYSA-N 0 0 457.225 4.760 20 0 JJADRN CCOC(=O)[C@@H](COC)N(C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CC1 ZINC001459098507 1067250078 /nfs/dbraw/zinc/25/00/78/1067250078.db2.gz MFDQYQLGXWTZJK-XMMPIXPASA-N 0 0 453.579 4.746 20 0 JJADRN C[C@H]1CCC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)CC1 ZINC001459099132 1067250194 /nfs/dbraw/zinc/25/01/94/1067250194.db2.gz JJCCENXWGVVVIS-VHSXEESVSA-N 0 0 454.121 4.891 20 0 JJADRN CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Sc2cccc(OC)c2)cn1 ZINC001452769183 1067250805 /nfs/dbraw/zinc/25/08/05/1067250805.db2.gz QDAFYCBSQCWGAC-UHFFFAOYSA-N 0 0 457.577 4.645 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC001452770588 1067250880 /nfs/dbraw/zinc/25/08/80/1067250880.db2.gz RZOFEOLZAQIJIS-IBGZPJMESA-N 0 0 453.283 4.580 20 0 JJADRN CN(CC1CCCCC1)C(=O)COc1c(I)cccc1C(F)(F)F ZINC001459104538 1067251043 /nfs/dbraw/zinc/25/10/43/1067251043.db2.gz LJKJPJSZBVDTQE-UHFFFAOYSA-N 0 0 455.258 4.728 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCC[C@H](C)CC2)cc1 ZINC001459102268 1067251059 /nfs/dbraw/zinc/25/10/59/1067251059.db2.gz UWLCRIARVFXQPW-HKUYNNGSSA-N 0 0 454.592 4.903 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1 ZINC001459102271 1067251095 /nfs/dbraw/zinc/25/10/95/1067251095.db2.gz UWLCRIARVFXQPW-IEBWSBKVSA-N 0 0 454.592 4.903 20 0 JJADRN C[C@@H]1Cc2ncn(CC(=O)Nc3ccc(Oc4ccc(Br)cc4)nc3)c2C[C@H]1C ZINC001459102273 1067251110 /nfs/dbraw/zinc/25/11/10/1067251110.db2.gz CNPZFOWQZIYPQQ-HUUCEWRRSA-N 0 0 455.356 4.842 20 0 JJADRN CCc1oc(C(=O)OC)cc1COc1c(I)cccc1C(F)(F)F ZINC001459103192 1067251131 /nfs/dbraw/zinc/25/11/31/1067251131.db2.gz FEPBRRMBPCPKBZ-UHFFFAOYSA-N 0 0 454.182 4.831 20 0 JJADRN Cc1cccc2c1OCC[C@@H]2OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC001459104206 1067251175 /nfs/dbraw/zinc/25/11/75/1067251175.db2.gz ZSXMVNNMKVNDEY-QHCPKHFHSA-N 0 0 457.592 4.586 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCN2CCOC2=O)C1 ZINC001546106373 1067252128 /nfs/dbraw/zinc/25/21/28/1067252128.db2.gz UZEXOWFAGQEJGQ-UHFFFAOYSA-N 0 0 494.409 4.706 20 0 JJADRN CCOC(=O)c1cnc(NC(=O)c2cn(-c3ccccc3C)nc2-c2ccc(CC)cc2)n1C ZINC001459111706 1067253074 /nfs/dbraw/zinc/25/30/74/1067253074.db2.gz QZMIDEWPRLEZTP-UHFFFAOYSA-N 0 0 457.534 4.573 20 0 JJADRN Cc1sc(CC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)nc1-c1ccco1 ZINC001452803581 1067253753 /nfs/dbraw/zinc/25/37/53/1067253753.db2.gz QGJPTURLUOTNBP-UHFFFAOYSA-N 0 0 459.543 4.734 20 0 JJADRN Cc1ccccc1C1(C(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001452806312 1067254233 /nfs/dbraw/zinc/25/42/33/1067254233.db2.gz PHWRPSAIPRNNCQ-OAQYLSRUSA-N 0 0 450.579 4.526 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC001459118014 1067254597 /nfs/dbraw/zinc/25/45/97/1067254597.db2.gz GSVRSYVJHNCYBG-UHFFFAOYSA-N 0 0 459.340 4.946 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)C2CCCCC2)O1 ZINC001546044720 1067254675 /nfs/dbraw/zinc/25/46/75/1067254675.db2.gz FQJJSRVTNCDXHE-KHOMTPLRSA-N 0 0 454.619 4.678 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)C2CCCCC2)O1 ZINC001546044718 1067254691 /nfs/dbraw/zinc/25/46/91/1067254691.db2.gz FQJJSRVTNCDXHE-DMJCMNNJSA-N 0 0 454.619 4.678 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)O1 ZINC001546044704 1067254703 /nfs/dbraw/zinc/25/47/03/1067254703.db2.gz FKGXZQZIYCFEPQ-PXDATVDWSA-N 0 0 474.049 4.755 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)Cc1cccc(C)c1Br)c1ccc(Cl)c(Cl)c1 ZINC001459121159 1067255637 /nfs/dbraw/zinc/25/56/37/1067255637.db2.gz KMYYCBZZXDICGP-IBGZPJMESA-N 0 0 459.167 4.811 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)c1 ZINC001452819493 1067255638 /nfs/dbraw/zinc/25/56/38/1067255638.db2.gz HAXNXULAANKBLS-UHFFFAOYSA-N 0 0 457.983 4.655 20 0 JJADRN COCCOc1cc(C(=O)Oc2cnc3ccc(Br)cc3c2)nc2ccccc21 ZINC001459123882 1067256167 /nfs/dbraw/zinc/25/61/67/1067256167.db2.gz YIHHVXJNVOEAIT-UHFFFAOYSA-N 0 0 453.292 4.790 20 0 JJADRN O=C(Cc1ccccc1O[C@H]1CCOC1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459126957 1067257030 /nfs/dbraw/zinc/25/70/30/1067257030.db2.gz VBFMEUIZGZFZLA-VXKWHMMOSA-N 0 0 458.396 4.687 20 0 JJADRN O=C(Cc1ccccc1O[C@H]1CCOC1)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459126962 1067257070 /nfs/dbraw/zinc/25/70/70/1067257070.db2.gz VBFMEUIZGZFZLA-YADHBBJMSA-N 0 0 458.396 4.687 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1(c2ccccc2)CCCC1 ZINC001459128894 1067257495 /nfs/dbraw/zinc/25/74/95/1067257495.db2.gz UUZGHDZQKYFNEP-ZWKOTPCHSA-N 0 0 455.396 4.819 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)CSCC(N)=O)c2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001459129114 1067257544 /nfs/dbraw/zinc/25/75/44/1067257544.db2.gz IKCGUKGYHCQXCR-AWEZNQCLSA-N 0 0 458.649 4.558 20 0 JJADRN CCOC(=O)C1=C(COc2ccc(Cl)c(F)c2F)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459131467 1067257983 /nfs/dbraw/zinc/25/79/83/1067257983.db2.gz QXERYLCECUOWOZ-GOSISDBHSA-N 0 0 457.260 4.522 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1 ZINC001452860324 1067258133 /nfs/dbraw/zinc/25/81/33/1067258133.db2.gz NJTWVFNOIPQZFX-UHFFFAOYSA-N 0 0 457.615 4.954 20 0 JJADRN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001452859967 1067258203 /nfs/dbraw/zinc/25/82/03/1067258203.db2.gz ZMUXLMSOBICUKD-HSZRJFAPSA-N 0 0 450.510 4.662 20 0 JJADRN CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(Br)c(C(F)(F)F)c1 ZINC001459138879 1067258413 /nfs/dbraw/zinc/25/84/13/1067258413.db2.gz YAIPEVVCHVINGU-UHFFFAOYSA-N 0 0 457.246 4.611 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC001452871052 1067258447 /nfs/dbraw/zinc/25/84/47/1067258447.db2.gz SMLXEFSHLRUCEF-UHFFFAOYSA-N 0 0 458.624 4.806 20 0 JJADRN CCOC(=O)c1c(C[C@@H](C)CC)c(C)sc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC001459136146 1067258466 /nfs/dbraw/zinc/25/84/66/1067258466.db2.gz GTHFRCOXJAEGTA-AWEZNQCLSA-N 0 0 451.610 4.543 20 0 JJADRN COc1cc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)c(Br)cc1O ZINC001452870089 1067258512 /nfs/dbraw/zinc/25/85/12/1067258512.db2.gz RIUKRWSBIUUVDP-UHFFFAOYSA-N 0 0 458.274 4.920 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC[C@H]3OC)c2)cc1 ZINC001452871587 1067258707 /nfs/dbraw/zinc/25/87/07/1067258707.db2.gz SZOBCAWJLOBIAM-DNQXCXABSA-N 0 0 458.624 4.826 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)c2ccccc2)O1 ZINC001546045197 1067259265 /nfs/dbraw/zinc/25/92/65/1067259265.db2.gz LVTXDEJAESEKLO-NYUJMHJJSA-N 0 0 462.598 4.513 20 0 JJADRN CCc1ccc([C@@H](NC(=O)COc2c(OC)cc(C(C)=O)cc2OC)c2cccs2)cc1 ZINC001459142650 1067259519 /nfs/dbraw/zinc/25/95/19/1067259519.db2.gz JXKQSKCDVRRPIK-XMMPIXPASA-N 0 0 453.560 4.815 20 0 JJADRN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC001459145701 1067260496 /nfs/dbraw/zinc/26/04/96/1067260496.db2.gz CFYBJLHAZZYKHP-AWEZNQCLSA-N 0 0 458.527 4.672 20 0 JJADRN CC[C@@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1cc(F)cc(Br)c1 ZINC001459146022 1067260563 /nfs/dbraw/zinc/26/05/63/1067260563.db2.gz FMVRSQYVYKMTFS-CQSZACIVSA-N 0 0 459.241 4.770 20 0 JJADRN CN(C)C(=O)N1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 ZINC001452895266 1067260746 /nfs/dbraw/zinc/26/07/46/1067260746.db2.gz VCBNHJYJAIXQBO-UHFFFAOYSA-N 0 0 452.407 4.725 20 0 JJADRN Cc1nc2cc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccc2n1Cc1ccsc1 ZINC001459146749 1067261081 /nfs/dbraw/zinc/26/10/81/1067261081.db2.gz BIJKLGIKZDXAPM-LJQANCHMSA-N 0 0 454.596 4.584 20 0 JJADRN CCCc1noc(CCCC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)n1 ZINC001452896899 1067261105 /nfs/dbraw/zinc/26/11/05/1067261105.db2.gz MCIMAYLXCNEJRO-IBGZPJMESA-N 0 0 456.587 4.608 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)COCc2ccncc2)CCC3)cc1Cl ZINC001459149200 1067261473 /nfs/dbraw/zinc/26/14/73/1067261473.db2.gz RMFRGJIIQDQIIB-UHFFFAOYSA-N 0 0 456.951 4.680 20 0 JJADRN CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001452899974 1067261560 /nfs/dbraw/zinc/26/15/60/1067261560.db2.gz DZDFRYGQGJQATO-NEWJYFPISA-N 0 0 458.643 4.812 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)C1 ZINC001452901821 1067261695 /nfs/dbraw/zinc/26/16/95/1067261695.db2.gz GYQDHBLPSLPVHW-IQUTYRLHSA-N 0 0 458.933 4.543 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)C(=O)NC)C1 ZINC001546106243 1067261881 /nfs/dbraw/zinc/26/18/81/1067261881.db2.gz OJZHTZUYIDIHNO-UHFFFAOYSA-N 0 0 480.426 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC001452908751 1067263472 /nfs/dbraw/zinc/26/34/72/1067263472.db2.gz ZQOPJNMXYDNWPT-CEXWTWQISA-N 0 0 452.954 4.557 20 0 JJADRN CC(C)c1csc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC001459159078 1067263482 /nfs/dbraw/zinc/26/34/82/1067263482.db2.gz VJZBCKKINACWKI-HNNXBMFYSA-N 0 0 453.655 4.560 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)c2)c1 ZINC001452913445 1067263955 /nfs/dbraw/zinc/26/39/55/1067263955.db2.gz LROWRTJQSXCDBG-VWLOTQADSA-N 0 0 452.551 4.739 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](OC)C(C)(C)C2)O1 ZINC001546046029 1067264086 /nfs/dbraw/zinc/26/40/86/1067264086.db2.gz VZSJDVZYFVTEAP-DNBVQBCISA-N 0 0 460.594 4.766 20 0 JJADRN CCN(C(=O)CN1C(=O)COc2cc(Br)ccc21)c1cccc(Cl)c1Cl ZINC001459162822 1067264123 /nfs/dbraw/zinc/26/41/23/1067264123.db2.gz ONKIEYYQKGEFCM-UHFFFAOYSA-N 0 0 458.139 4.534 20 0 JJADRN CCN(C(=O)c1ccc(OC)c(I)n1)c1cccc(Cl)c1Cl ZINC001459163932 1067264694 /nfs/dbraw/zinc/26/46/94/1067264694.db2.gz SLXYLKNXZIWZHJ-UHFFFAOYSA-N 0 0 451.091 4.668 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N2CCS[C@H](c3ccccc3)C2)C1 ZINC001452923616 1067265092 /nfs/dbraw/zinc/26/50/92/1067265092.db2.gz WKZYMCVWWFWBEK-NRFANRHFSA-N 0 0 454.592 4.746 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC001452933898 1067265462 /nfs/dbraw/zinc/26/54/62/1067265462.db2.gz OQMNLGYOBBMNEI-DXPJPUQTSA-N 0 0 454.455 4.976 20 0 JJADRN CC(C)[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[nH]1)C(=O)NC1CCCCCC1 ZINC001459178071 1067266008 /nfs/dbraw/zinc/26/60/08/1067266008.db2.gz BLEIGJPRQLBTIL-HXUWFJFHSA-N 0 0 453.612 4.536 20 0 JJADRN CN(C)C(=O)c1cn(Cc2nc(-c3c(F)cccc3F)cs2)c(=O)cc1-c1ccccc1 ZINC001459177428 1067266068 /nfs/dbraw/zinc/26/60/68/1067266068.db2.gz XVKWTRQVMQLRML-UHFFFAOYSA-N 0 0 451.498 4.667 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001459178244 1067266475 /nfs/dbraw/zinc/26/64/75/1067266475.db2.gz LTUISPYXUXPPTL-VQTJNVASSA-N 0 0 457.412 4.899 20 0 JJADRN C[C@H](CO)C1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1 ZINC001452947455 1067266544 /nfs/dbraw/zinc/26/65/44/1067266544.db2.gz XKDYZFDBCCERLS-CYBMUJFWSA-N 0 0 455.908 4.514 20 0 JJADRN O=Cc1ccc(Br)cc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC001459179456 1067266568 /nfs/dbraw/zinc/26/65/68/1067266568.db2.gz LNXFGEQUMQNOOT-MRXNPFEDSA-N 0 0 459.321 4.673 20 0 JJADRN COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001459179201 1067266599 /nfs/dbraw/zinc/26/65/99/1067266599.db2.gz DXUHFRFKHPAVTD-ZDUSSCGKSA-N 0 0 451.386 4.774 20 0 JJADRN CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nnc(Cc2ccccc2)n1N ZINC001459184571 1067267364 /nfs/dbraw/zinc/26/73/64/1067267364.db2.gz SNFVFIKYTGJITR-UHFFFAOYSA-N 0 0 458.031 4.872 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001459184899 1067267763 /nfs/dbraw/zinc/26/77/63/1067267763.db2.gz OBLGXJLRDFLVPU-LADGPHEKSA-N 0 0 456.508 4.985 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC001459184891 1067267777 /nfs/dbraw/zinc/26/77/77/1067267777.db2.gz OBLGXJLRDFLVPU-ISKFKSNPSA-N 0 0 456.508 4.985 20 0 JJADRN O=Cc1ccc(Br)cc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC001459185967 1067267945 /nfs/dbraw/zinc/26/79/45/1067267945.db2.gz WXOURCRVXIWICC-QFIPXVFZSA-N 0 0 456.361 4.876 20 0 JJADRN CCc1nc(C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)nn1-c1ccccc1Cl ZINC001452962807 1067268109 /nfs/dbraw/zinc/26/81/09/1067268109.db2.gz UXEIHTVKMWCECJ-MRXNPFEDSA-N 0 0 453.757 4.596 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)s1 ZINC001452962476 1067268192 /nfs/dbraw/zinc/26/81/92/1067268192.db2.gz TZLMWHOOEIALFI-KRWDZBQOSA-N 0 0 456.391 4.868 20 0 JJADRN CN(C(=O)CC(C)(C)NC(=O)OCc1ccccc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001452963395 1067268521 /nfs/dbraw/zinc/26/85/21/1067268521.db2.gz WIUZGCSGLLQXHK-SFHVURJKSA-N 0 0 453.366 4.580 20 0 JJADRN O=C(c1csc(I)c1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452964253 1067268673 /nfs/dbraw/zinc/26/86/73/1067268673.db2.gz POHZIZZTUSPNBQ-UHFFFAOYSA-N 0 0 454.116 4.563 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC001459188104 1067268679 /nfs/dbraw/zinc/26/86/79/1067268679.db2.gz FAVWSESJDIQJKH-JOCHJYFZSA-N 0 0 456.384 4.617 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)CSc2nc3ccccc3[nH]2)C1 ZINC001452967279 1067269055 /nfs/dbraw/zinc/26/90/55/1067269055.db2.gz UJACGHXVMPRKBW-QGZVFWFLSA-N 0 0 452.580 4.528 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459188662 1067269101 /nfs/dbraw/zinc/26/91/01/1067269101.db2.gz OECMSFOXQHSRCA-QHCPKHFHSA-N 0 0 459.424 4.526 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452967630 1067269196 /nfs/dbraw/zinc/26/91/96/1067269196.db2.gz VYOHBERIGLZQQB-ZWKOTPCHSA-N 0 0 458.990 4.798 20 0 JJADRN COc1c(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)oc2ccccc21 ZINC001459193590 1067269518 /nfs/dbraw/zinc/26/95/18/1067269518.db2.gz ZRKWOSPJKWFUKA-IXDOJHRFSA-N 0 0 452.938 4.806 20 0 JJADRN CC(C)[C@@H](C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452975814 1067269519 /nfs/dbraw/zinc/26/95/19/1067269519.db2.gz SMVSUDKYWSTIOV-RRQZXNHTSA-N 0 0 462.590 4.575 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)c(C)cc1C ZINC001459198806 1067270049 /nfs/dbraw/zinc/27/00/49/1067270049.db2.gz ALDAQXHSXOPFJD-OPAMFIHVSA-N 0 0 470.367 4.977 20 0 JJADRN COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)ccc1OCc1ccccc1Cl ZINC001546046703 1067270252 /nfs/dbraw/zinc/27/02/52/1067270252.db2.gz IZDOMCOIBUEWDD-PZJWPPBQSA-N 0 0 457.954 4.528 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)cs1 ZINC001452985381 1067270395 /nfs/dbraw/zinc/27/03/95/1067270395.db2.gz RPDAOOIZODYVJD-UHFFFAOYSA-N 0 0 456.395 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3nnc(Cc4ccccc4)s3)cc21 ZINC001452982539 1067270645 /nfs/dbraw/zinc/27/06/45/1067270645.db2.gz CGCKELGQEHKAIO-UHFFFAOYSA-N 0 0 450.564 4.608 20 0 JJADRN Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)cc1Br ZINC001459207520 1067271032 /nfs/dbraw/zinc/27/10/32/1067271032.db2.gz UBIXBWZZRFRFKD-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[nH]c3=O)nc2)c1 ZINC001452987814 1067270945 /nfs/dbraw/zinc/27/09/45/1067270945.db2.gz RPANYKQDNVNLHP-UHFFFAOYSA-N 0 0 458.547 4.594 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cs1 ZINC001459207700 1067271485 /nfs/dbraw/zinc/27/14/85/1067271485.db2.gz BYYSQYOOPCPENC-CQSZACIVSA-N 0 0 456.365 4.873 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CCC(=O)N4COC)cs2)cc1 ZINC001459207795 1067271558 /nfs/dbraw/zinc/27/15/58/1067271558.db2.gz DGBFLHPQFNJSRW-UHFFFAOYSA-N 0 0 451.548 4.734 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnn(Cc2ccccc2)c1N ZINC001452994659 1067271569 /nfs/dbraw/zinc/27/15/69/1067271569.db2.gz CXHLFDNHJYVHFJ-HSZRJFAPSA-N 0 0 458.484 4.650 20 0 JJADRN O=C(N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001452993425 1067271734 /nfs/dbraw/zinc/27/17/34/1067271734.db2.gz CYBGMPBPLZVBPW-ZDUSSCGKSA-N 0 0 457.279 4.661 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCO)cc1NC(=O)c1ccc(Br)cc1 ZINC001452994829 1067272086 /nfs/dbraw/zinc/27/20/86/1067272086.db2.gz DRJWGMBOTCQIGN-IIBYNOLFSA-N 0 0 459.384 4.633 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CCO)cc1NC(=O)c1ccc(Br)cc1 ZINC001452994830 1067272222 /nfs/dbraw/zinc/27/22/22/1067272222.db2.gz DRJWGMBOTCQIGN-KKSFZXQISA-N 0 0 459.384 4.633 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)c(I)c1)CCO2 ZINC001459221806 1067272800 /nfs/dbraw/zinc/27/28/00/1067272800.db2.gz NGULKRUKVLMKRC-MRXNPFEDSA-N 0 0 457.695 4.597 20 0 JJADRN O=C(c1ccccc1[S@@](=O)C(F)(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001452999739 1067273924 /nfs/dbraw/zinc/27/39/24/1067273924.db2.gz PHDAVKDDVGVLBI-MUUNZHRXSA-N 0 0 451.297 4.583 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)C1 ZINC001459230863 1067274429 /nfs/dbraw/zinc/27/44/29/1067274429.db2.gz OBEFRFLBLSOHAC-LSDHHAIUSA-N 0 0 453.967 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001453034185 1067274851 /nfs/dbraw/zinc/27/48/51/1067274851.db2.gz YLPPSVAQJBVHGU-UHFFFAOYSA-N 0 0 456.414 4.679 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC001459234153 1067275214 /nfs/dbraw/zinc/27/52/14/1067275214.db2.gz URHKFUUISUUNPU-ZBFHGGJFSA-N 0 0 458.559 4.521 20 0 JJADRN O=c1onc(-c2cc(Br)cc(Br)c2)n1Cc1ccsc1Cl ZINC001459233324 1067275249 /nfs/dbraw/zinc/27/52/49/1067275249.db2.gz DEDVWBQVJXNCHX-UHFFFAOYSA-N 0 0 450.539 4.792 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459234491 1067275257 /nfs/dbraw/zinc/27/52/57/1067275257.db2.gz HVFOMQZDIWUFIO-IBGZPJMESA-N 0 0 458.331 4.827 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001453055626 1067275667 /nfs/dbraw/zinc/27/56/67/1067275667.db2.gz IKEKAQYEBGSYHF-QZTJIDSGSA-N 0 0 454.567 4.523 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC001453038117 1067275715 /nfs/dbraw/zinc/27/57/15/1067275715.db2.gz UQKFVWNCOJZPGD-KPOBHBOGSA-N 0 0 471.317 4.631 20 0 JJADRN COCCOc1ccc(CC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 ZINC001459237730 1067275672 /nfs/dbraw/zinc/27/56/72/1067275672.db2.gz LFHCZVKHLFNHHA-OAQYLSRUSA-N 0 0 450.348 4.814 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(CN3C[C@@H](C)O[C@H](C)C3)cc1)CC2 ZINC001459238843 1067276076 /nfs/dbraw/zinc/27/60/76/1067276076.db2.gz AJRHEIMAWOJLOK-QZTJIDSGSA-N 0 0 457.412 4.565 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)o1 ZINC001459240141 1067276114 /nfs/dbraw/zinc/27/61/14/1067276114.db2.gz FEPFDRNNFBHQGG-UHFFFAOYSA-N 0 0 454.426 4.593 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)CCCc1ccc(Br)s1 ZINC001459241667 1067276171 /nfs/dbraw/zinc/27/61/71/1067276171.db2.gz OSUIZQDVUPXGMC-MRXNPFEDSA-N 0 0 458.805 4.777 20 0 JJADRN COc1cc(OC)c(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)cc1Br ZINC001459241595 1067276260 /nfs/dbraw/zinc/27/62/60/1067276260.db2.gz KZPDDSGDSKLQCR-UHFFFAOYSA-N 0 0 457.365 4.632 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001453068789 1067276214 /nfs/dbraw/zinc/27/62/14/1067276214.db2.gz BBMCJZWDVXALGX-QGZVFWFLSA-N 0 0 455.640 4.516 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)cc1 ZINC001453070456 1067276598 /nfs/dbraw/zinc/27/65/98/1067276598.db2.gz HETAKFFVBVCJGP-UHFFFAOYSA-N 0 0 459.612 4.623 20 0 JJADRN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)C2 ZINC001453074147 1067277165 /nfs/dbraw/zinc/27/71/65/1067277165.db2.gz HTXJZVXRHXQZIR-HCYUJWNOSA-N 0 0 474.022 4.990 20 0 JJADRN CCc1nc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)nn1-c1ccccc1F ZINC001459252571 1067277816 /nfs/dbraw/zinc/27/78/16/1067277816.db2.gz AFYQSZZLIPVFHR-UHFFFAOYSA-N 0 0 451.502 4.519 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@H](C)[C@H](OC)C2)O1 ZINC001546047640 1067278209 /nfs/dbraw/zinc/27/82/09/1067278209.db2.gz BIWQSIKORJLTAF-PYDOFHOQSA-N 0 0 477.447 4.917 20 0 JJADRN CC(C)COc1cccc(OCC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c1 ZINC001459261341 1067279253 /nfs/dbraw/zinc/27/92/53/1067279253.db2.gz HJKDSNZTSXIEQO-UHFFFAOYSA-N 0 0 450.560 4.915 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)cc3nc(C)oc32)cc1 ZINC001459265889 1067279425 /nfs/dbraw/zinc/27/94/25/1067279425.db2.gz OQUPXIPTWMPVKA-UHFFFAOYSA-N 0 0 451.342 4.725 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)OCc3ccc(OCCC(F)(F)F)cc3)n2)cc1 ZINC001459264155 1067279446 /nfs/dbraw/zinc/27/94/46/1067279446.db2.gz NGXRSTYOXIDQHK-UHFFFAOYSA-N 0 0 450.413 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)CSc2nccn2C(C)(C)C)C1 ZINC001453110883 1067279389 /nfs/dbraw/zinc/27/93/89/1067279389.db2.gz INPNIEZCOFBWQY-WOJBJXKFSA-N 0 0 472.655 4.640 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c2o1 ZINC001459267330 1067279864 /nfs/dbraw/zinc/27/98/64/1067279864.db2.gz SZQQSUWJOFHQMV-INIZCTEOSA-N 0 0 456.340 4.698 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001453121921 1067280968 /nfs/dbraw/zinc/28/09/68/1067280968.db2.gz OZTXNBCQDMFASO-ISKFKSNPSA-N 0 0 478.568 4.843 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)CCCOC)O1 ZINC001546047816 1067280977 /nfs/dbraw/zinc/28/09/77/1067280977.db2.gz DTCLBPGLWKNWAH-JTSKRJEESA-N 0 0 481.435 4.537 20 0 JJADRN O=C(OCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001459278960 1067281918 /nfs/dbraw/zinc/28/19/18/1067281918.db2.gz VIMPTRCOWMYFPN-UHFFFAOYSA-N 0 0 451.422 4.879 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c2ccccc12 ZINC001453128661 1067282145 /nfs/dbraw/zinc/28/21/45/1067282145.db2.gz MEPLDXZQIFBKKB-UGKGYDQZSA-N 0 0 458.455 4.964 20 0 JJADRN Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2CO)cc1OCc1csc(Br)c1 ZINC001453131274 1067282481 /nfs/dbraw/zinc/28/24/81/1067282481.db2.gz NXLGGAYDVGAYJC-GOSISDBHSA-N 0 0 458.377 4.962 20 0 JJADRN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)ccc1Cl ZINC001459286175 1067282930 /nfs/dbraw/zinc/28/29/30/1067282930.db2.gz GMIMAXBRZQKNCF-ZDUSSCGKSA-N 0 0 459.370 4.798 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)n2)cc1 ZINC001459288271 1067283500 /nfs/dbraw/zinc/28/35/00/1067283500.db2.gz PBCTVLNWRVBBEJ-UHFFFAOYSA-N 0 0 456.333 4.993 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(OC)CC2)O1 ZINC001546047980 1067283738 /nfs/dbraw/zinc/28/37/38/1067283738.db2.gz GTTACYFVOZBXAR-YSZBQJHXSA-N 0 0 494.478 4.789 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)O[C@@H](COC(C)C)c1cccc(F)c1 ZINC001459294459 1067284284 /nfs/dbraw/zinc/28/42/84/1067284284.db2.gz GSGZHVGIIQHOLM-QFIPXVFZSA-N 0 0 450.514 4.676 20 0 JJADRN O=C(Cc1ccn(-c2ccccc2)n1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001459295024 1067284383 /nfs/dbraw/zinc/28/43/83/1067284383.db2.gz HYBHZTYBULJDJY-GOSISDBHSA-N 0 0 452.274 4.987 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001459294576 1067284415 /nfs/dbraw/zinc/28/44/15/1067284415.db2.gz KCKCXAKHFLZBHN-JZXOWHBKSA-N 0 0 453.421 4.874 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)O1 ZINC001546048051 1067284816 /nfs/dbraw/zinc/28/48/16/1067284816.db2.gz HLCXDSIIOUDUID-KCVHQNEMSA-N 0 0 488.076 4.935 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)ccc21 ZINC001459296291 1067285083 /nfs/dbraw/zinc/28/50/83/1067285083.db2.gz IFABVOGLMJIIPE-UHFFFAOYSA-N 0 0 453.589 4.532 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CCCNC(=O)c1ccsc1 ZINC001459297021 1067285315 /nfs/dbraw/zinc/28/53/15/1067285315.db2.gz KFTYNOLRJZCVPC-HXUWFJFHSA-N 0 0 457.596 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C1(C)C ZINC001453170479 1067285415 /nfs/dbraw/zinc/28/54/15/1067285415.db2.gz SVOUFWALPJWXEW-PKOBYXMFSA-N 0 0 459.587 4.815 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001459296828 1067285428 /nfs/dbraw/zinc/28/54/28/1067285428.db2.gz JOCGPCAJISRZQY-PGRDOPGGSA-N 0 0 455.599 4.708 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Br)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001459298512 1067285970 /nfs/dbraw/zinc/28/59/70/1067285970.db2.gz JWAAISQBIBEDSG-CQSZACIVSA-N 0 0 454.723 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1 ZINC001453176757 1067286534 /nfs/dbraw/zinc/28/65/34/1067286534.db2.gz OSTURLRYUIOBIN-ICSRJNTNSA-N 0 0 458.002 4.591 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048213 1067286921 /nfs/dbraw/zinc/28/69/21/1067286921.db2.gz JKVLWJYEAIIROL-HOYKHHGWSA-N 0 0 460.644 4.642 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@H]2Cc2ccccc2OC)ccc1C ZINC001459301262 1067287409 /nfs/dbraw/zinc/28/74/09/1067287409.db2.gz OVSDPDPNNNYUGZ-REWPJTCUSA-N 0 0 459.608 4.602 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCOCC2CC2)O1 ZINC001546048388 1067287856 /nfs/dbraw/zinc/28/78/56/1067287856.db2.gz LMMHKCBMEGOGTD-JPYJTQIMSA-N 0 0 450.986 4.948 20 0 JJADRN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1 ZINC001459304188 1067288347 /nfs/dbraw/zinc/28/83/47/1067288347.db2.gz IRVSEDJXWKKJFM-KRWDZBQOSA-N 0 0 459.493 4.618 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c(Br)c1 ZINC001459304827 1067288352 /nfs/dbraw/zinc/28/83/52/1067288352.db2.gz VHUBNCUIJYHGHI-OAHLLOKOSA-N 0 0 457.368 4.853 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CCC2CCOCC2)O1 ZINC001546048410 1067288325 /nfs/dbraw/zinc/28/83/25/1067288325.db2.gz LPRJIQREFVKXTG-RLWLMLJZSA-N 0 0 472.630 4.563 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001459305420 1067288808 /nfs/dbraw/zinc/28/88/08/1067288808.db2.gz XZMNUEBSVCETQX-OAQYLSRUSA-N 0 0 455.396 4.941 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC001453209622 1067289190 /nfs/dbraw/zinc/28/91/90/1067289190.db2.gz GIZWUCLFXVZSOJ-UHFFFAOYSA-N 0 0 459.793 4.887 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001453209228 1067289208 /nfs/dbraw/zinc/28/92/08/1067289208.db2.gz FGMPVZFOVKMIKP-UHFFFAOYSA-N 0 0 451.360 4.917 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546048665 1067290209 /nfs/dbraw/zinc/29/02/09/1067290209.db2.gz ORMTYWFAGJNGOY-SBUREZEXSA-N 0 0 480.556 4.554 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546048638 1067290323 /nfs/dbraw/zinc/29/03/23/1067290323.db2.gz OLWPJLZUKGLBSX-ZBLYBZFDSA-N 0 0 494.640 4.860 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546048645 1067290335 /nfs/dbraw/zinc/29/03/35/1067290335.db2.gz OOEPCJUZIINJCU-QGDZQMKYSA-N 0 0 456.631 4.943 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546048785 1067290836 /nfs/dbraw/zinc/29/08/36/1067290836.db2.gz PWRMFKQJFCBXEE-DGROVODQSA-N 0 0 482.547 4.945 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546048787 1067290895 /nfs/dbraw/zinc/29/08/95/1067290895.db2.gz PWRMFKQJFCBXEE-KTASIVBBSA-N 0 0 482.547 4.945 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)O1 ZINC001546048788 1067290949 /nfs/dbraw/zinc/29/09/49/1067290949.db2.gz PWRMFKQJFCBXEE-WPHJULLESA-N 0 0 482.547 4.945 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N3CCc4ccccc4C(C)(C)C3)C2)C1 ZINC001453228106 1067290960 /nfs/dbraw/zinc/29/09/60/1067290960.db2.gz QCHNGKJBTFYFRB-VJLZTBLDSA-N 0 0 458.668 4.918 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001459311152 1067290937 /nfs/dbraw/zinc/29/09/37/1067290937.db2.gz RLBBZCCEVWSXKU-AWEZNQCLSA-N 0 0 454.785 4.740 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1CCCc1c(F)cccc1F ZINC001459311316 1067291095 /nfs/dbraw/zinc/29/10/95/1067291095.db2.gz RXWPZKFADNZZMU-SANMLTNESA-N 0 0 452.520 4.822 20 0 JJADRN CCC(CC)(C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1)c1ccc(Cl)cc1 ZINC001453241198 1067291297 /nfs/dbraw/zinc/29/12/97/1067291297.db2.gz NKILKZGAIQMCHB-UHFFFAOYSA-N 0 0 458.002 4.565 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@@H]2C)O1 ZINC001546049130 1067291314 /nfs/dbraw/zinc/29/13/14/1067291314.db2.gz VQOXFOLRTWJNNQ-QSLMVLCRSA-N 0 0 450.425 4.629 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCOc4ccc(Br)cc43)n[nH]2)c1C ZINC001453259587 1067291424 /nfs/dbraw/zinc/29/14/24/1067291424.db2.gz MRSZHJYBOVNKSA-LBPRGKRZSA-N 0 0 458.360 4.663 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459313802 1067291426 /nfs/dbraw/zinc/29/14/26/1067291426.db2.gz CFZDMESATFKYSI-HXPMCKFVSA-N 0 0 453.297 4.680 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546048972 1067291894 /nfs/dbraw/zinc/29/18/94/1067291894.db2.gz SEMUDUFTMMCKBN-OFVILXPXSA-N 0 0 474.049 4.641 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001453264003 1067292074 /nfs/dbraw/zinc/29/20/74/1067292074.db2.gz JAFHNLIUFIQCHR-UHFFFAOYSA-N 0 0 453.468 4.642 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546049012 1067292590 /nfs/dbraw/zinc/29/25/90/1067292590.db2.gz SSTCFDBCFYYDAE-CPJSRVTESA-N 0 0 454.571 4.848 20 0 JJADRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC001459317135 1067292718 /nfs/dbraw/zinc/29/27/18/1067292718.db2.gz RVWKAJMUEKUKJY-UHFFFAOYSA-N 0 0 457.374 4.823 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@H]1COc2ccc(Br)cc21 ZINC001459316957 1067292784 /nfs/dbraw/zinc/29/27/84/1067292784.db2.gz VVEYFZGJBGMMQB-LRDDRELGSA-N 0 0 452.732 4.633 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001459318080 1067293265 /nfs/dbraw/zinc/29/32/65/1067293265.db2.gz CLBHEJUEYXLGTG-JTQLQIEISA-N 0 0 456.109 4.724 20 0 JJADRN Cc1c(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1F ZINC001453282359 1067293577 /nfs/dbraw/zinc/29/35/77/1067293577.db2.gz BYMXJLSQUDXPEI-FQEVSTJZSA-N 0 0 453.489 4.540 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@H]2C)O1 ZINC001546049128 1067293945 /nfs/dbraw/zinc/29/39/45/1067293945.db2.gz VQOXFOLRTWJNNQ-GYQJYAJYSA-N 0 0 450.425 4.629 20 0 JJADRN O=C(COc1cccc(Br)c1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459322713 1067294625 /nfs/dbraw/zinc/29/46/25/1067294625.db2.gz CDDFVVZIZFZBBU-GOSISDBHSA-N 0 0 457.137 4.997 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001459322184 1067294669 /nfs/dbraw/zinc/29/46/69/1067294669.db2.gz VYOGEUHPMZLVFH-NSHDSACASA-N 0 0 452.260 4.571 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001453289026 1067294605 /nfs/dbraw/zinc/29/46/05/1067294605.db2.gz NWHIUVSMHRFQLN-JOCHJYFZSA-N 0 0 451.563 4.652 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546049226 1067294998 /nfs/dbraw/zinc/29/49/98/1067294998.db2.gz XHRVEWXFKSNAGE-VOMKJEOTSA-N 0 0 468.465 4.714 20 0 JJADRN COc1cccc(NC(=O)c2csc(I)c2Br)c1F ZINC001459323143 1067294967 /nfs/dbraw/zinc/29/49/67/1067294967.db2.gz ISZDMTUGNVCUOO-UHFFFAOYSA-N 0 0 456.074 4.515 20 0 JJADRN COc1cccc(NC(=O)c2cc(I)ccc2N2CCCCC2)c1F ZINC001459323339 1067294974 /nfs/dbraw/zinc/29/49/74/1067294974.db2.gz JMAOZDJCSXOPJN-UHFFFAOYSA-N 0 0 454.283 4.682 20 0 JJADRN CC(C)CN(C(=O)Cn1c2ccccc2n(C)c1=O)C(C)(C)c1ccc(Br)cc1 ZINC001459324307 1067294999 /nfs/dbraw/zinc/29/49/99/1067294999.db2.gz COTCILUBMAEQCT-UHFFFAOYSA-N 0 0 458.400 4.522 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)O1 ZINC001546049255 1067295268 /nfs/dbraw/zinc/29/52/68/1067295268.db2.gz XQPWDXFXSBHYRP-HTAPYJJXSA-N 0 0 453.414 4.808 20 0 JJADRN O=C(CN1CCC[C@H]1c1cccc(F)c1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459328477 1067296016 /nfs/dbraw/zinc/29/60/16/1067296016.db2.gz UOQRQSUPOZVJDH-QHCPKHFHSA-N 0 0 456.514 4.573 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC001453310181 1067296340 /nfs/dbraw/zinc/29/63/40/1067296340.db2.gz DGEORZUEOKCHSM-MOPGFXCFSA-N 0 0 458.605 4.632 20 0 JJADRN Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)ccc1-c1ccccc1 ZINC001459331102 1067296457 /nfs/dbraw/zinc/29/64/57/1067296457.db2.gz UZDGORMTHBNPFN-UHFFFAOYSA-N 0 0 454.979 4.640 20 0 JJADRN Cc1ccc(-n2cc(C(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)c(C(C)(C)C)n2)cc1 ZINC001459330216 1067296539 /nfs/dbraw/zinc/29/65/39/1067296539.db2.gz GJTCKSBUGZHUOC-UHFFFAOYSA-N 0 0 452.599 4.775 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)cc1 ZINC001459330259 1067296619 /nfs/dbraw/zinc/29/66/19/1067296619.db2.gz KFAOIXDTSNMBAA-UHFFFAOYSA-N 0 0 451.365 4.678 20 0 JJADRN CC(=O)c1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1O ZINC001453318511 1067296850 /nfs/dbraw/zinc/29/68/50/1067296850.db2.gz BDUHJWPFWLIUQH-UHFFFAOYSA-N 0 0 451.319 4.729 20 0 JJADRN C[C@H](CC(=O)c1cccs1)NC(=O)CCCCc1ccc(I)cc1 ZINC001546049599 1067296884 /nfs/dbraw/zinc/29/68/84/1067296884.db2.gz CGEJRHCELQCAIN-CQSZACIVSA-N 0 0 455.361 4.843 20 0 JJADRN COc1cccc(CC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1Cl ZINC001453323774 1067297313 /nfs/dbraw/zinc/29/73/13/1067297313.db2.gz ILINLCAIGSJXID-LJQANCHMSA-N 0 0 451.007 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(CNC(=O)CCSc2ccccc2Br)CC1 ZINC001459333522 1067297454 /nfs/dbraw/zinc/29/74/54/1067297454.db2.gz LFHHRQSCQSNBMF-UHFFFAOYSA-N 0 0 455.418 4.615 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC001459337912 1067297810 /nfs/dbraw/zinc/29/78/10/1067297810.db2.gz PHOQYODYSQYOFU-IBGZPJMESA-N 0 0 455.368 4.945 20 0 JJADRN Cc1ccc(N(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cc1Br ZINC001459336923 1067297893 /nfs/dbraw/zinc/29/78/93/1067297893.db2.gz QLAQBVOAGSHTQD-UHFFFAOYSA-N 0 0 455.072 4.549 20 0 JJADRN COc1cc(F)c(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001453331601 1067298060 /nfs/dbraw/zinc/29/80/60/1067298060.db2.gz JATJTWIIYRPMEO-INIZCTEOSA-N 0 0 454.970 4.987 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001459339058 1067298495 /nfs/dbraw/zinc/29/84/95/1067298495.db2.gz QJKFWPAOGIHPCB-LLVKDONJSA-N 0 0 451.283 4.727 20 0 JJADRN C[C@]12CCN(C(=O)c3ccc(Oc4cccnc4)cc3)C[C@H]1C2(Br)Br ZINC001453352389 1067299969 /nfs/dbraw/zinc/29/99/69/1067299969.db2.gz BDMVYSDVBWBJMX-AEFFLSMTSA-N 0 0 466.173 4.842 20 0 JJADRN O=C(Cc1nc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1)Nc1ccccc1 ZINC001459348401 1067300051 /nfs/dbraw/zinc/30/00/51/1067300051.db2.gz RDBSUVLKGHJPPT-BETUJISGSA-N 0 0 451.436 4.887 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cc(F)cc(Br)c1C ZINC001459348713 1067300065 /nfs/dbraw/zinc/30/00/65/1067300065.db2.gz VGFXFEZZRZNFRC-NRFANRHFSA-N 0 0 458.327 4.954 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001459348289 1067300184 /nfs/dbraw/zinc/30/01/84/1067300184.db2.gz QDPSINWZQKEDRH-CQSZACIVSA-N 0 0 454.785 4.740 20 0 JJADRN O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC001459350118 1067300510 /nfs/dbraw/zinc/30/05/10/1067300510.db2.gz WNCGAQOKAPDPAT-UHFFFAOYSA-N 0 0 451.741 4.655 20 0 JJADRN COc1ccc(S[C@H](C)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001453357776 1067300483 /nfs/dbraw/zinc/30/04/83/1067300483.db2.gz OEYBLHOQUIEOPF-XFJVYGCCSA-N 0 0 463.235 4.530 20 0 JJADRN C[C@]12CCN(C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)C[C@H]1C2(Br)Br ZINC001453356271 1067300517 /nfs/dbraw/zinc/30/05/17/1067300517.db2.gz KZNNNEBCAGNHIS-MFKMUULPSA-N 0 0 477.065 4.952 20 0 JJADRN O=C(c1c(Cl)cccc1Cl)N1CCN(CCOc2ccccc2Br)CC1 ZINC001459350323 1067300719 /nfs/dbraw/zinc/30/07/19/1067300719.db2.gz XGIVCYCFHNXIMD-UHFFFAOYSA-N 0 0 458.183 4.593 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001453366675 1067301383 /nfs/dbraw/zinc/30/13/83/1067301383.db2.gz DCILOFXHPDHWBC-GOEBONIOSA-N 0 0 476.333 4.851 20 0 JJADRN O=C(Nc1ccc2c(c1)CN(C(=O)c1[nH]c3ccccc3c1Br)C2)C(F)(F)F ZINC001453368533 1067301469 /nfs/dbraw/zinc/30/14/69/1067301469.db2.gz YIXJEDFTNBHSOB-UHFFFAOYSA-N 0 0 452.230 4.587 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c2C(F)(F)F)c1 ZINC001453375539 1067301919 /nfs/dbraw/zinc/30/19/19/1067301919.db2.gz LUIXKRNDFZURNJ-UHFFFAOYSA-N 0 0 454.493 4.575 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1 ZINC001453373790 1067302008 /nfs/dbraw/zinc/30/20/08/1067302008.db2.gz XDLXPWCHCBMZLN-UONOGXRCSA-N 0 0 481.858 4.599 20 0 JJADRN CN(C(=O)CN1CCC(Oc2ccccc2)CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001459356721 1067302184 /nfs/dbraw/zinc/30/21/84/1067302184.db2.gz KOXQOIFTEUMGEY-AREMUKBSSA-N 0 0 454.998 4.680 20 0 JJADRN COc1cccc(CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 ZINC001459355754 1067302280 /nfs/dbraw/zinc/30/22/80/1067302280.db2.gz RBMQVGBRCXMHTC-JXFKEZNVSA-N 0 0 451.394 4.860 20 0 JJADRN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001453386327 1067302550 /nfs/dbraw/zinc/30/25/50/1067302550.db2.gz FMXLWOVCVROTRF-IVMMDQJWSA-N 0 0 451.748 4.523 20 0 JJADRN COCCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C)cc1C ZINC001459360983 1067302651 /nfs/dbraw/zinc/30/26/51/1067302651.db2.gz FUEFSXOKOGKSFI-UHFFFAOYSA-N 0 0 451.592 4.704 20 0 JJADRN Cc1cccn2c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3Br)cnc12 ZINC001453392561 1067302935 /nfs/dbraw/zinc/30/29/35/1067302935.db2.gz WGNKISUSVRNHPP-QGZVFWFLSA-N 0 0 459.344 4.610 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 ZINC001453392423 1067303090 /nfs/dbraw/zinc/30/30/90/1067303090.db2.gz FDAFTWQXJWCTBB-NRFANRHFSA-N 0 0 451.592 4.569 20 0 JJADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001453392086 1067303112 /nfs/dbraw/zinc/30/31/12/1067303112.db2.gz APPJCRDFBFMCAI-XZUZTFNGSA-N 0 0 457.398 4.569 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001453395795 1067303601 /nfs/dbraw/zinc/30/36/01/1067303601.db2.gz DFUNQYDSNKPQOC-WOJBJXKFSA-N 0 0 457.368 4.564 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001453395789 1067303613 /nfs/dbraw/zinc/30/36/13/1067303613.db2.gz DFUNQYDSNKPQOC-UXHICEINSA-N 0 0 457.368 4.564 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC ZINC001453395837 1067303703 /nfs/dbraw/zinc/30/37/03/1067303703.db2.gz DOWNZCJGVILZCT-IBGZPJMESA-N 0 0 453.421 4.940 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(CCOc3cc(F)cc(Br)c3)CC2)cs1 ZINC001459364948 1067303989 /nfs/dbraw/zinc/30/39/89/1067303989.db2.gz XAOWGMHGVQQGMA-UHFFFAOYSA-N 0 0 456.425 4.539 20 0 JJADRN COc1ccc(CCC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC001459366074 1067304339 /nfs/dbraw/zinc/30/43/39/1067304339.db2.gz DKGXKCGZTFOFDL-QFIPXVFZSA-N 0 0 455.448 4.761 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1 ZINC001459366722 1067304436 /nfs/dbraw/zinc/30/44/36/1067304436.db2.gz QCRNSSBASYMFEA-LBPRGKRZSA-N 0 0 454.354 4.944 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001459370795 1067305337 /nfs/dbraw/zinc/30/53/37/1067305337.db2.gz FLEZXFNDRVXZCE-HNNXBMFYSA-N 0 0 455.308 4.778 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c(Cl)oc2ccccc21 ZINC001453430296 1067305796 /nfs/dbraw/zinc/30/57/96/1067305796.db2.gz KYJJIXRYPFNKFJ-KRWDZBQOSA-N 0 0 451.375 4.908 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)nn1-c1ccc(Br)cc1 ZINC001459375261 1067306764 /nfs/dbraw/zinc/30/67/64/1067306764.db2.gz AMVODTQEZXDSGR-UHFFFAOYSA-N 0 0 456.344 4.597 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 ZINC001459374045 1067306871 /nfs/dbraw/zinc/30/68/71/1067306871.db2.gz YCFXYMKWBYUFBP-UHFFFAOYSA-N 0 0 459.775 4.800 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)O1 ZINC001546051558 1067307120 /nfs/dbraw/zinc/30/71/20/1067307120.db2.gz LWBWXHNYUBKDIM-HRFSGMKKSA-N 0 0 498.672 4.880 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C12CCC2 ZINC001453468809 1067307356 /nfs/dbraw/zinc/30/73/56/1067307356.db2.gz RYVFHTYNXQCVIY-KMVLGAPJSA-N 0 0 456.446 4.579 20 0 JJADRN Cc1ccccc1CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC001459378890 1067307799 /nfs/dbraw/zinc/30/77/99/1067307799.db2.gz ZOOYYRDRVVVVCJ-UHFFFAOYSA-N 0 0 459.546 4.507 20 0 JJADRN Cc1c(C(=O)NCCCNC(=O)/C=C\c2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC001459378369 1067307834 /nfs/dbraw/zinc/30/78/34/1067307834.db2.gz UMJFKTXDFGZXPT-ZCXUNETKSA-N 0 0 451.570 4.948 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)cc2)no1 ZINC001459379227 1067308249 /nfs/dbraw/zinc/30/82/49/1067308249.db2.gz UTFSIZKRLCMKTJ-UHFFFAOYSA-N 0 0 453.392 4.934 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546108440 1067308305 /nfs/dbraw/zinc/30/83/05/1067308305.db2.gz BMZVBVKIFPJGPO-RTWAWAEBSA-N 0 0 475.678 4.836 20 0 JJADRN Cc1cc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nn1-c1ccc(Cl)cc1Cl ZINC001459380904 1067308465 /nfs/dbraw/zinc/30/84/65/1067308465.db2.gz VIVBUYVZEPRYCQ-INIZCTEOSA-N 0 0 459.377 4.779 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)cnn1-c1cccc(Br)c1 ZINC001459380914 1067308564 /nfs/dbraw/zinc/30/85/64/1067308564.db2.gz OGRTVKQPFAQHSO-UHFFFAOYSA-N 0 0 456.344 4.597 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546051733 1067308837 /nfs/dbraw/zinc/30/88/37/1067308837.db2.gz OCCMTIUFYVZYQY-MGPUTAFESA-N 0 0 472.939 4.840 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546108452 1067309077 /nfs/dbraw/zinc/30/90/77/1067309077.db2.gz BQLPFOKFCFTOEL-RXVVDRJESA-N 0 0 461.601 4.770 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001453484981 1067309004 /nfs/dbraw/zinc/30/90/04/1067309004.db2.gz YTEKWSMZQWGOHJ-NPBUNYCVSA-N 0 0 459.295 4.961 20 0 JJADRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(I)cc1Cl ZINC001459384905 1067309603 /nfs/dbraw/zinc/30/96/03/1067309603.db2.gz IHDHWSQOTSFFLG-JTQLQIEISA-N 0 0 450.103 4.682 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(I)cc1Cl ZINC001459384906 1067309615 /nfs/dbraw/zinc/30/96/15/1067309615.db2.gz IHDHWSQOTSFFLG-SNVBAGLBSA-N 0 0 450.103 4.682 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N(CCOC)[C@@H]2CC[C@H](C)C2)O1 ZINC001546052046 1067309845 /nfs/dbraw/zinc/30/98/45/1067309845.db2.gz QYOMQGCHPHHJOK-GQNXPXPTSA-N 0 0 456.631 4.943 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001453509654 1067309916 /nfs/dbraw/zinc/30/99/16/1067309916.db2.gz GCKJYTJDZUIFKA-NLWGTHIKSA-N 0 0 464.484 4.952 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CCOCC1 ZINC001453511510 1067310392 /nfs/dbraw/zinc/31/03/92/1067310392.db2.gz YVTQIBTYHUFYAI-KRWDZBQOSA-N 0 0 450.645 4.703 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546052138 1067310409 /nfs/dbraw/zinc/31/04/09/1067310409.db2.gz RZZCOMGKQKJPED-GBXCKJPGSA-N 0 0 457.525 4.926 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)O1 ZINC001546052356 1067310715 /nfs/dbraw/zinc/31/07/15/1067310715.db2.gz WDIHBOGHGLRCDN-HFZDXXHNSA-N 0 0 453.631 4.975 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)O1 ZINC001546052402 1067311233 /nfs/dbraw/zinc/31/12/33/1067311233.db2.gz WNGVMSGOCZEZHJ-SFYKDHMMSA-N 0 0 465.564 4.674 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532490 1067311347 /nfs/dbraw/zinc/31/13/47/1067311347.db2.gz BWLATMSYBSGHPQ-FYYLOGMGSA-N 0 0 456.608 4.526 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532286 1067311364 /nfs/dbraw/zinc/31/13/64/1067311364.db2.gz AUEFDPMJQMIDRI-GMAHTHKFSA-N 0 0 456.608 4.526 20 0 JJADRN CC(C)Cc1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453534831 1067311392 /nfs/dbraw/zinc/31/13/92/1067311392.db2.gz AIBFDUAUSHRSBL-UXHICEINSA-N 0 0 456.549 4.979 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(c1)C=CCCC2 ZINC001453534059 1067311477 /nfs/dbraw/zinc/31/14/77/1067311477.db2.gz IZLZNEXXZXTDGL-UHFFFAOYSA-N 0 0 458.889 4.625 20 0 JJADRN O=C(CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390224 1067311534 /nfs/dbraw/zinc/31/15/34/1067311534.db2.gz HSUXSONQRDPOTO-NRFANRHFSA-N 0 0 457.546 4.632 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001453535852 1067311762 /nfs/dbraw/zinc/31/17/62/1067311762.db2.gz LBJBIRZCUKKMQH-LPHOPBHVSA-N 0 0 453.530 4.791 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453536495 1067312216 /nfs/dbraw/zinc/31/22/16/1067312216.db2.gz CKVNMIJSRDAVRV-SWLSCSKDSA-N 0 0 450.885 4.514 20 0 JJADRN Cc1ccc2nc(C(=O)N3CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C3)ccc2c1 ZINC001453539695 1067312412 /nfs/dbraw/zinc/31/24/12/1067312412.db2.gz GVJHNIXAOOIPQV-SJORKVTESA-N 0 0 451.489 4.709 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1ccn(-c2ccccc2)n1 ZINC001459394452 1067312687 /nfs/dbraw/zinc/31/26/87/1067312687.db2.gz WKIIRQFZHAPQGI-SFHVURJKSA-N 0 0 459.575 4.645 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)cc21 ZINC001453543695 1067312782 /nfs/dbraw/zinc/31/27/82/1067312782.db2.gz MPGPLVAZLPDQMT-ZFWWWQNUSA-N 0 0 457.468 4.781 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453544981 1067312937 /nfs/dbraw/zinc/31/29/37/1067312937.db2.gz NMTPGYSXRJQHHT-KSZLIROESA-N 0 0 458.521 4.704 20 0 JJADRN O=C(NCc1ccsc1Br)c1ccc(I)cc1Cl ZINC001459463691 1067330823 /nfs/dbraw/zinc/33/08/23/1067330823.db2.gz BOEIPSSKENLNOW-UHFFFAOYSA-N 0 0 456.530 4.699 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001453548888 1067313519 /nfs/dbraw/zinc/31/35/19/1067313519.db2.gz KNBWUHHQVBILQT-SECBINFHSA-N 0 0 450.185 4.957 20 0 JJADRN COc1cccc(CC2(C(=O)N3CC(O)(c4ccc(Br)cc4)C3)CCCCC2)c1 ZINC001453548518 1067313536 /nfs/dbraw/zinc/31/35/36/1067313536.db2.gz HLFOLFLKINMGGP-UHFFFAOYSA-N 0 0 458.396 4.681 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)NCc2cc(Br)cnc2OC)cc1OCC ZINC001453549278 1067313609 /nfs/dbraw/zinc/31/36/09/1067313609.db2.gz OBIVPOKANGFFIG-UHFFFAOYSA-N 0 0 457.752 4.624 20 0 JJADRN O=C(N1CC(O)(c2ccc(Br)cc2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC001453548492 1067313638 /nfs/dbraw/zinc/31/36/38/1067313638.db2.gz HHVOONDYDNPNKH-UHFFFAOYSA-N 0 0 451.094 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)cn2)C1 ZINC001453548882 1067313781 /nfs/dbraw/zinc/31/37/81/1067313781.db2.gz JHNMOWBYOYYCQT-INIZCTEOSA-N 0 0 453.370 4.692 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCCCO2)C1 ZINC001546108558 1067313838 /nfs/dbraw/zinc/31/38/38/1067313838.db2.gz FMPUQGGJBWNBRN-LEWJYISDSA-N 0 0 491.677 4.562 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)c21 ZINC001453552540 1067314047 /nfs/dbraw/zinc/31/40/47/1067314047.db2.gz YSPNTMZVVSLWIL-DLBZAZTESA-N 0 0 453.505 4.571 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Br)nn1-c1ccccc1 ZINC001459401986 1067314248 /nfs/dbraw/zinc/31/42/48/1067314248.db2.gz KFHMDPQBWJIXDQ-UHFFFAOYSA-N 0 0 452.230 4.575 20 0 JJADRN Cc1cc(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459401984 1067314363 /nfs/dbraw/zinc/31/43/63/1067314363.db2.gz BVVNSUOPTDZOFI-KRWDZBQOSA-N 0 0 458.384 4.739 20 0 JJADRN CN(CCOCCN(C)C(=O)c1ccc(C2SCCCS2)cc1)C(=O)OC(C)(C)C ZINC001453553997 1067314392 /nfs/dbraw/zinc/31/43/92/1067314392.db2.gz MIUZQKTVBFHVFU-UHFFFAOYSA-N 0 0 454.658 4.511 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC001453556135 1067314497 /nfs/dbraw/zinc/31/44/97/1067314497.db2.gz YXKBIQUTHYCDQL-UHFFFAOYSA-N 0 0 453.568 4.552 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)CN1c2ccccc2Sc2ccccc21 ZINC001453553776 1067314562 /nfs/dbraw/zinc/31/45/62/1067314562.db2.gz JQTZYVIIGCWKLG-UHFFFAOYSA-N 0 0 456.365 4.772 20 0 JJADRN O=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001459407689 1067314883 /nfs/dbraw/zinc/31/48/83/1067314883.db2.gz ZCEZENYCHNVHQY-UHFFFAOYSA-N 0 0 454.313 4.812 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(OC)c1 ZINC001453574991 1067315453 /nfs/dbraw/zinc/31/54/53/1067315453.db2.gz DYBDYMDVTCWLHX-IOZAGNAOSA-N 0 0 466.578 4.626 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453580530 1067315621 /nfs/dbraw/zinc/31/56/21/1067315621.db2.gz GHHBTXMRIQBUFM-YLJYHZDGSA-N 0 0 479.618 4.850 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(Br)c1 ZINC001453580089 1067315704 /nfs/dbraw/zinc/31/57/04/1067315704.db2.gz JTTIANQQWNUSEM-PZJWPPBQSA-N 0 0 473.411 4.819 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)c(OC)c1 ZINC001459410362 1067315853 /nfs/dbraw/zinc/31/58/53/1067315853.db2.gz TVMDJVRFTSNLBB-UHFFFAOYSA-N 0 0 450.579 4.729 20 0 JJADRN CCn1c(SCC(=O)N2CC[C@H]3CC[C@@H](C2)S3)nnc1-c1ccc(Cl)cc1Cl ZINC001453578479 1067315876 /nfs/dbraw/zinc/31/58/76/1067315876.db2.gz YVDFEWMQOZANEA-KGLIPLIRSA-N 0 0 457.452 4.860 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001453581696 1067316053 /nfs/dbraw/zinc/31/60/53/1067316053.db2.gz LQDFXWCAWRCFNS-ZHALLVOQSA-N 0 0 453.027 4.858 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001546108693 1067316193 /nfs/dbraw/zinc/31/61/93/1067316193.db2.gz JCQSHUAQNZRTGL-RBUKOAKNSA-N 0 0 497.631 4.833 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C)CCC(=O)N1c1ccc(C)cc1 ZINC001459411099 1067316280 /nfs/dbraw/zinc/31/62/80/1067316280.db2.gz XHTZDMYYPNMSIO-ILDGYLOQSA-N 0 0 450.579 4.514 20 0 JJADRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC001459412009 1067316595 /nfs/dbraw/zinc/31/65/95/1067316595.db2.gz BXPAZHLRXQKMDE-INIZCTEOSA-N 0 0 455.436 4.722 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412940 1067317450 /nfs/dbraw/zinc/31/74/50/1067317450.db2.gz CLXZBGFFHVXNJX-KSSFIOAISA-N 0 0 455.393 4.503 20 0 JJADRN CC(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C)c1C)c2=O ZINC001453601241 1067317474 /nfs/dbraw/zinc/31/74/74/1067317474.db2.gz JNUTVWFLGODPSG-UHFFFAOYSA-N 0 0 458.543 4.502 20 0 JJADRN Cc1ccc(CNC(=O)NCC(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001453601250 1067317538 /nfs/dbraw/zinc/31/75/38/1067317538.db2.gz JOSJWEQQNLVTQR-QHCPKHFHSA-N 0 0 453.995 4.683 20 0 JJADRN CCO[C@H]1COCC[C@H]1CC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001459415571 1067317781 /nfs/dbraw/zinc/31/77/81/1067317781.db2.gz FIRWSHNILYUKDN-UWJYYQICSA-N 0 0 450.373 4.711 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)Oc1cc(F)c(Cl)cc1Br ZINC001459414218 1067317923 /nfs/dbraw/zinc/31/79/23/1067317923.db2.gz DZZJKKCNXPKEPC-UHFFFAOYSA-N 0 0 459.680 4.692 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC[C@H]1C(=O)OC(C)(C)C ZINC001453602681 1067317845 /nfs/dbraw/zinc/31/78/45/1067317845.db2.gz XGGKWMVRNQIQLA-YLJYHZDGSA-N 0 0 455.574 4.856 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Cl)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453605341 1067318318 /nfs/dbraw/zinc/31/83/18/1067318318.db2.gz MGLDOPLUKYQLDU-LBPRGKRZSA-N 0 0 455.279 4.786 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001459414698 1067318317 /nfs/dbraw/zinc/31/83/17/1067318317.db2.gz QILDEFJREVQREF-KRWDZBQOSA-N 0 0 451.394 4.894 20 0 JJADRN COc1cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c(OC)c1 ZINC001459415090 1067318438 /nfs/dbraw/zinc/31/84/38/1067318438.db2.gz OVNFKKRVIATFKN-UHFFFAOYSA-N 0 0 457.880 4.935 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)N2CCOCC2)O1 ZINC001546053422 1067318776 /nfs/dbraw/zinc/31/87/76/1067318776.db2.gz AKWNTUURMLWKLE-IPVFLDMMSA-N 0 0 489.730 4.786 20 0 JJADRN O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC001459417415 1067318885 /nfs/dbraw/zinc/31/88/85/1067318885.db2.gz KZPQSEVYHCYABZ-SFHVURJKSA-N 0 0 451.311 4.998 20 0 JJADRN CN(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417825 1067319375 /nfs/dbraw/zinc/31/93/75/1067319375.db2.gz YMMWOVLQSWWKED-SFHVURJKSA-N 0 0 457.290 4.817 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(OC)c3)C2)O1 ZINC001546053562 1067319645 /nfs/dbraw/zinc/31/96/45/1067319645.db2.gz CHKMBELWZIAMEY-AOJNWGRGSA-N 0 0 456.631 4.801 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001453644328 1067320256 /nfs/dbraw/zinc/32/02/56/1067320256.db2.gz RPCYKFNRODALST-NRFANRHFSA-N 0 0 452.555 4.981 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCC3C[C@@H](C)O[C@H](C)C3)cc2Br)on1 ZINC001459421325 1067320551 /nfs/dbraw/zinc/32/05/51/1067320551.db2.gz UYEUICZYYGGTSB-HUUCEWRRSA-N 0 0 451.361 4.648 20 0 JJADRN CC(C)N(C(=O)C1(Cc2ccccc2Br)CC1)c1ccc(CC(=O)N(C)C)cc1 ZINC001459420506 1067320616 /nfs/dbraw/zinc/32/06/16/1067320616.db2.gz YWQGAWKCSIJQKF-UHFFFAOYSA-N 0 0 457.412 4.844 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@@]3(C(=O)OC)C[C@H]3c3ccccc3)nc21 ZINC001459422039 1067321023 /nfs/dbraw/zinc/32/10/23/1067321023.db2.gz MPYGOWZJVYSWQC-YCRPNKLZSA-N 0 0 459.365 4.907 20 0 JJADRN O=C(N[C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453672121 1067321131 /nfs/dbraw/zinc/32/11/31/1067321131.db2.gz QKMPCZGGLLJRKG-IAGOWNOFSA-N 0 0 458.452 4.678 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546053844 1067321354 /nfs/dbraw/zinc/32/13/54/1067321354.db2.gz GIOLKRBQBACQLE-RRQZXNHTSA-N 0 0 463.667 4.660 20 0 JJADRN CCn1ncc(Cl)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 ZINC001459424026 1067321953 /nfs/dbraw/zinc/32/19/53/1067321953.db2.gz DPHRKLKCLRWGOE-KRWDZBQOSA-N 0 0 453.370 4.644 20 0 JJADRN CC(C)Cc1cccc([C@@H](C)C(=O)NCCOc2ccc(I)cc2)c1 ZINC001459424904 1067322302 /nfs/dbraw/zinc/32/23/02/1067322302.db2.gz MUVOIXSPEKNONZ-MRXNPFEDSA-N 0 0 451.348 4.788 20 0 JJADRN COc1ccc(CNC(=O)/C=C\C(=O)Nc2c(F)cc(F)cc2Oc2ccccc2C)cc1 ZINC001453686721 1067322199 /nfs/dbraw/zinc/32/21/99/1067322199.db2.gz KBNMOCXRACXQLL-QXMHVHEDSA-N 0 0 452.457 4.885 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001459425209 1067322625 /nfs/dbraw/zinc/32/26/25/1067322625.db2.gz JISAAHLRBSSFHY-NRFANRHFSA-N 0 0 455.393 4.613 20 0 JJADRN COCCCCN(C(=O)c1ccc(OC)c(OC(F)F)c1)c1ccc(Br)cn1 ZINC001459426354 1067322635 /nfs/dbraw/zinc/32/26/35/1067322635.db2.gz KSXQGJNQGDEPEW-UHFFFAOYSA-N 0 0 459.287 4.528 20 0 JJADRN C[C@](CO)(NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 ZINC001453694191 1067323207 /nfs/dbraw/zinc/32/32/07/1067323207.db2.gz FWGCNWCWKFUBNM-XMMPIXPASA-N 0 0 457.448 4.734 20 0 JJADRN Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001453691099 1067323299 /nfs/dbraw/zinc/32/32/99/1067323299.db2.gz OJALFFOMIXGJLC-UHFFFAOYSA-N 0 0 454.477 4.573 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Oc3cc(F)c(Cl)cc3Br)cnc21 ZINC001459428040 1067323551 /nfs/dbraw/zinc/32/35/51/1067323551.db2.gz XBQOLUQMZIBYPW-UHFFFAOYSA-N 0 0 452.589 4.761 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459429546 1067323977 /nfs/dbraw/zinc/32/39/77/1067323977.db2.gz ZTVOWQSJQWMPAV-WXTAPIANSA-N 0 0 453.583 4.608 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001459429601 1067324023 /nfs/dbraw/zinc/32/40/23/1067324023.db2.gz ULYPXSWOWQJPAV-UFBFGSQYSA-N 0 0 452.782 4.575 20 0 JJADRN C[C@](CO)(NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1cccc(C(F)(F)F)c1 ZINC001453707251 1067323894 /nfs/dbraw/zinc/32/38/94/1067323894.db2.gz ZMMSRNFIWCNSPQ-LJQANCHMSA-N 0 0 458.267 4.835 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)cc21 ZINC001453708463 1067324007 /nfs/dbraw/zinc/32/40/07/1067324007.db2.gz HPOWGARJSAEVPK-FYYLOGMGSA-N 0 0 450.579 4.925 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)O1 ZINC001546054054 1067324366 /nfs/dbraw/zinc/32/43/66/1067324366.db2.gz JCMKHRGAZDYLAE-QFQXNSOFSA-N 0 0 455.647 4.966 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)cc1Br ZINC001453735256 1067325056 /nfs/dbraw/zinc/32/50/56/1067325056.db2.gz ILRUHGSJRXUJAB-QGZVFWFLSA-N 0 0 459.812 4.749 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001453735998 1067325090 /nfs/dbraw/zinc/32/50/90/1067325090.db2.gz IGQPZDXFAOYXGL-LJQANCHMSA-N 0 0 453.505 4.915 20 0 JJADRN C[C@H](CC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001453735886 1067325161 /nfs/dbraw/zinc/32/51/61/1067325161.db2.gz NMLZHZMNFZWRMT-NQIIRXRSSA-N 0 0 452.599 4.649 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001453735889 1067325322 /nfs/dbraw/zinc/32/53/22/1067325322.db2.gz NMLZHZMNFZWRMT-RXVVDRJESA-N 0 0 452.599 4.649 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001453735894 1067325338 /nfs/dbraw/zinc/32/53/38/1067325338.db2.gz NMLZHZMNFZWRMT-WIYYLYMNSA-N 0 0 452.599 4.649 20 0 JJADRN COC(=O)C(C)(C)NCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC001459441251 1067325572 /nfs/dbraw/zinc/32/55/72/1067325572.db2.gz VJNHEUBDUUVKDM-UHFFFAOYSA-N 0 0 457.983 4.538 20 0 JJADRN Cc1cc(C)cc(CCC(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC001453738412 1067325576 /nfs/dbraw/zinc/32/55/76/1067325576.db2.gz NXKTUIRDYXRRCH-UHFFFAOYSA-N 0 0 458.400 4.811 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1cc(Br)cs1)c1ccc(Br)cc1 ZINC001453744433 1067326556 /nfs/dbraw/zinc/32/65/56/1067326556.db2.gz QLGKQEGVHVGFFX-CQSZACIVSA-N 0 0 455.175 4.526 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001459454968 1067327412 /nfs/dbraw/zinc/32/74/12/1067327412.db2.gz KPKJHQWINLWEKK-UHFFFAOYSA-N 0 0 450.604 4.552 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(F)cccc3OC)CC2)O1 ZINC001546054598 1067327756 /nfs/dbraw/zinc/32/77/56/1067327756.db2.gz PLWIYQBMKJRYGQ-NIYFSFCBSA-N 0 0 473.637 4.689 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCCCc2cc(Br)ccc21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001453767912 1067327940 /nfs/dbraw/zinc/32/79/40/1067327940.db2.gz ILZWLRIVLWSDGK-LIRRHRJNSA-N 0 0 451.405 4.836 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)O1 ZINC001546054740 1067328003 /nfs/dbraw/zinc/32/80/03/1067328003.db2.gz RVHYPUXBOWNCCC-GQNXPXPTSA-N 0 0 491.677 4.561 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(C(F)(F)F)c(F)c2)cc1 ZINC001453766731 1067328064 /nfs/dbraw/zinc/32/80/64/1067328064.db2.gz WOHVMDWQPNIHGS-UHFFFAOYSA-N 0 0 454.449 4.819 20 0 JJADRN O[C@H]([C@H]1CCCN1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455878 1067328070 /nfs/dbraw/zinc/32/80/70/1067328070.db2.gz MRFVYZSYRBKYPO-NVXWUHKLSA-N 0 0 456.262 4.540 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(CN3CCC([C@H](O)c4ccc(Cl)cc4)CC3)s2)cc1 ZINC001459456868 1067328183 /nfs/dbraw/zinc/32/81/83/1067328183.db2.gz PWZSOZQDXCKAAU-OAQYLSRUSA-N 0 0 456.999 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001459455923 1067328193 /nfs/dbraw/zinc/32/81/93/1067328193.db2.gz TVQHBGMXFLVIRJ-GOSISDBHSA-N 0 0 456.612 4.568 20 0 JJADRN O=C(Nc1n[nH]cc1I)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC001453772000 1067328584 /nfs/dbraw/zinc/32/85/84/1067328584.db2.gz CBNQAKQLQMMKDE-GHMZBOCLSA-N 0 0 452.321 4.537 20 0 JJADRN C[C@H]1CC[C@H](CCC(=O)N2CCCn3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc32)O1 ZINC001453775031 1067328826 /nfs/dbraw/zinc/32/88/26/1067328826.db2.gz NCBGSGWYWFURAX-FXAWDEMLSA-N 0 0 454.571 4.982 20 0 JJADRN C[C@H]1CC[C@@H](CCC(=O)N2CCCn3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc32)O1 ZINC001453775040 1067329078 /nfs/dbraw/zinc/32/90/78/1067329078.db2.gz NCBGSGWYWFURAX-PXNSSMCTSA-N 0 0 454.571 4.982 20 0 JJADRN CS(=O)(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 ZINC001459460884 1067329346 /nfs/dbraw/zinc/32/93/46/1067329346.db2.gz PSHWXMOZMWHLMS-LJQANCHMSA-N 0 0 457.617 4.906 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001453783207 1067329423 /nfs/dbraw/zinc/32/94/23/1067329423.db2.gz LMPJERIXCFDODE-OAQYLSRUSA-N 0 0 455.338 4.897 20 0 JJADRN CCC(C)(C)c1ccc(C(=O)N2CCc3[nH]cnc3[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001453775583 1067329469 /nfs/dbraw/zinc/32/94/69/1067329469.db2.gz QCVXNWPBSFKEBI-AREMUKBSSA-N 0 0 452.599 4.632 20 0 JJADRN Cc1ccc(NC(=O)CN(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001459460745 1067329608 /nfs/dbraw/zinc/32/96/08/1067329608.db2.gz WVRIZDVYVCFFRW-JOCHJYFZSA-N 0 0 455.574 4.974 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC001453790303 1067329628 /nfs/dbraw/zinc/32/96/28/1067329628.db2.gz VRUPALWYGUGJCH-DEOSSOPVSA-N 0 0 453.564 4.705 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)O1 ZINC001546055046 1067329898 /nfs/dbraw/zinc/32/98/98/1067329898.db2.gz WLYIAJCCTJKICF-AJFLCOCNSA-N 0 0 473.706 4.689 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)O1 ZINC001546055049 1067330195 /nfs/dbraw/zinc/33/01/95/1067330195.db2.gz WLYIAJCCTJKICF-ZVUIFXONSA-N 0 0 473.706 4.689 20 0 JJADRN COc1nsc(CNC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c1Br ZINC001453798262 1067330226 /nfs/dbraw/zinc/33/02/26/1067330226.db2.gz FDDATXBGYZGMDZ-UHFFFAOYSA-N 0 0 453.383 4.890 20 0 JJADRN CCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)cnn1CC(C)C ZINC001459463399 1067330566 /nfs/dbraw/zinc/33/05/66/1067330566.db2.gz HYVCKTGZPDRINB-QFIPXVFZSA-N 0 0 458.578 4.675 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC001453819039 1067330537 /nfs/dbraw/zinc/33/05/37/1067330537.db2.gz NUUMWJDAFGRDBG-GYLXGALMSA-N 0 0 455.860 4.544 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC001546055207 1067330841 /nfs/dbraw/zinc/33/08/41/1067330841.db2.gz YCLXGPBKZNEQKF-QDPGVEIFSA-N 0 0 499.675 4.635 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)O1 ZINC001546055214 1067331100 /nfs/dbraw/zinc/33/11/00/1067331100.db2.gz YCUTVFDWXCGYNP-QFQXNSOFSA-N 0 0 490.092 4.679 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2sncc2Br)CC1 ZINC001459465954 1067331203 /nfs/dbraw/zinc/33/12/03/1067331203.db2.gz JRZHEULGRPRIPG-MRXNPFEDSA-N 0 0 459.251 4.937 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC001453831325 1067331521 /nfs/dbraw/zinc/33/15/21/1067331521.db2.gz YZWMABXOUDTDLJ-FQEVSTJZSA-N 0 0 452.558 4.755 20 0 JJADRN O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCc1nnc2ccc(Cl)cn21 ZINC001453835890 1067331715 /nfs/dbraw/zinc/33/17/15/1067331715.db2.gz YISAFFQBTPIGIS-UHFFFAOYSA-N 0 0 452.754 4.672 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc(F)ccc1I ZINC001459467398 1067332030 /nfs/dbraw/zinc/33/20/30/1067332030.db2.gz TVNSPDOHBNVLOY-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC001453858950 1067332217 /nfs/dbraw/zinc/33/22/17/1067332217.db2.gz DJFOWUNXXYHCPM-HXUWFJFHSA-N 0 0 458.530 4.798 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC001453858948 1067332249 /nfs/dbraw/zinc/33/22/49/1067332249.db2.gz DJFOWUNXXYHCPM-FQEVSTJZSA-N 0 0 458.530 4.798 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3OC(C)(C)CC4)c2)C1 ZINC001453845596 1067332265 /nfs/dbraw/zinc/33/22/65/1067332265.db2.gz ZMVLOORDLIPYQO-ROUUACIJSA-N 0 0 456.608 4.709 20 0 JJADRN O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001453857093 1067332371 /nfs/dbraw/zinc/33/23/71/1067332371.db2.gz ALWTWRUHGFREOH-IYTCMIDZSA-N 0 0 454.517 4.878 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CC3)n2)CCCC1 ZINC001453860859 1067332665 /nfs/dbraw/zinc/33/26/65/1067332665.db2.gz INOYELXGGKZPKY-UHFFFAOYSA-N 0 0 451.489 4.528 20 0 JJADRN CC(C)[C@@H](CCNC(=O)[C@H](C)Sc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001453863024 1067332710 /nfs/dbraw/zinc/33/27/10/1067332710.db2.gz FYZHGCWTPFCSJO-WMLDXEAASA-N 0 0 459.450 4.985 20 0 JJADRN CC(C)[C@@H](CCNC(=O)[C@@H](C)Sc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001453863022 1067332766 /nfs/dbraw/zinc/33/27/66/1067332766.db2.gz FYZHGCWTPFCSJO-RHSMWYFYSA-N 0 0 459.450 4.985 20 0 JJADRN CC(C)[C@@H](CCNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001453872810 1067332985 /nfs/dbraw/zinc/33/29/85/1067332985.db2.gz QTJFUTVZGUNJKG-JBYIUTFZSA-N 0 0 453.421 4.782 20 0 JJADRN O=C([C@@H](Oc1ccccc1Br)c1ccccc1)N1CCO[C@H](CC(F)(F)F)C1 ZINC001453875743 1067333210 /nfs/dbraw/zinc/33/32/10/1067333210.db2.gz AFAIXXDXTHIRFJ-QAPCUYQASA-N 0 0 458.274 4.749 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459470709 1067333254 /nfs/dbraw/zinc/33/32/54/1067333254.db2.gz SFDJUBRXCSQOBP-QFIPXVFZSA-N 0 0 451.405 4.550 20 0 JJADRN O=C(CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)Nc1nc2ccc(F)cc2s1 ZINC001459470134 1067333287 /nfs/dbraw/zinc/33/32/87/1067333287.db2.gz RPGIFSFEODSGQP-INIZCTEOSA-N 0 0 458.317 4.893 20 0 JJADRN O=C(NCc1ccsc1Br)c1c(Br)cccc1Br ZINC001459470767 1067333375 /nfs/dbraw/zinc/33/33/75/1067333375.db2.gz SZKKCIMKLSHTNG-UHFFFAOYSA-N 0 0 453.981 4.966 20 0 JJADRN CC(C)[C@@H](CCNC(=O)c1ccc(Br)c(Cl)c1F)NC(=O)OC(C)(C)C ZINC001453876368 1067333495 /nfs/dbraw/zinc/33/34/95/1067333495.db2.gz ZABNORSFNDAIFN-CYBMUJFWSA-N 0 0 451.764 4.911 20 0 JJADRN CC(C)(C)c1nnc2n1CCN(C(=O)c1sc3cc(Br)ccc3c1Cl)C2 ZINC001453879285 1067333616 /nfs/dbraw/zinc/33/36/16/1067333616.db2.gz ZJFPRFCGBMNYLY-UHFFFAOYSA-N 0 0 453.793 4.862 20 0 JJADRN Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)c2ccccn12 ZINC001459471293 1067333684 /nfs/dbraw/zinc/33/36/84/1067333684.db2.gz ZYFLAXUHLXXTEO-HXUWFJFHSA-N 0 0 454.958 4.730 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472458 1067333785 /nfs/dbraw/zinc/33/37/85/1067333785.db2.gz BGWIEELNQWCINA-GOSISDBHSA-N 0 0 450.608 4.630 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ncsc2Br)CC1 ZINC001459471795 1067333827 /nfs/dbraw/zinc/33/38/27/1067333827.db2.gz XHENTPOIPNRPLX-INIZCTEOSA-N 0 0 459.251 4.937 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)NCC(F)(F)c2ccc(Br)cc2)co1 ZINC001453882016 1067334020 /nfs/dbraw/zinc/33/40/20/1067334020.db2.gz GCKGCDWCPZLIBA-UHFFFAOYSA-N 0 0 459.287 4.589 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001453884312 1067334033 /nfs/dbraw/zinc/33/40/33/1067334033.db2.gz BURPWMGKSWASKC-LJQANCHMSA-N 0 0 450.391 4.738 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)Nc1ccc2nccn2c1 ZINC001453886031 1067334060 /nfs/dbraw/zinc/33/40/60/1067334060.db2.gz UKOANOPSYQEMOW-UHFFFAOYSA-N 0 0 455.337 4.592 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Br)cc1)c1[nH]nc2ccc(Br)cc21 ZINC001453883735 1067334094 /nfs/dbraw/zinc/33/40/94/1067334094.db2.gz UECAUWXZAXQRDX-UHFFFAOYSA-N 0 0 459.088 4.610 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)cc21 ZINC001453887183 1067334116 /nfs/dbraw/zinc/33/41/16/1067334116.db2.gz IGUHVKGWFDGFNJ-IBGZPJMESA-N 0 0 451.350 4.754 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(-c4ccccc4F)s3)cc2)CC1 ZINC001459475649 1067334291 /nfs/dbraw/zinc/33/42/91/1067334291.db2.gz LLVUDEIIECPDAR-UHFFFAOYSA-N 0 0 459.568 4.622 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001453888097 1067334512 /nfs/dbraw/zinc/33/45/12/1067334512.db2.gz HSJSURKDGKOJDA-SFHVURJKSA-N 0 0 452.363 4.749 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C[C@@H](CC(F)(F)F)O1 ZINC001453894483 1067334595 /nfs/dbraw/zinc/33/45/95/1067334595.db2.gz GYHZOBIGBHUBGC-CMPLNLGQSA-N 0 0 453.244 4.742 20 0 JJADRN CC1(C)CCC[C@@H]1CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001453891646 1067334694 /nfs/dbraw/zinc/33/46/94/1067334694.db2.gz APVIFUYQSKSUMC-VQIMIIECSA-N 0 0 453.396 4.916 20 0 JJADRN CCn1c(SCC(=O)NCCc2nc3c(cccc3C)o2)nnc1-c1ccc(Cl)cc1 ZINC001459476675 1067334869 /nfs/dbraw/zinc/33/48/69/1067334869.db2.gz MTZQGSLWCMEMOP-UHFFFAOYSA-N 0 0 455.971 4.519 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1nnc(/C=C/c3ccco3)s1)N2C(=O)OC(C)(C)C ZINC001453901979 1067335069 /nfs/dbraw/zinc/33/50/69/1067335069.db2.gz BLVPXIIXZWXDQU-ZGKFYVQTSA-N 0 0 452.536 4.915 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001453894831 1067335083 /nfs/dbraw/zinc/33/50/83/1067335083.db2.gz XIPXYBVVZNNUNF-PGRDOPGGSA-N 0 0 453.366 4.583 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3cccc(Br)c3Cl)CC2)c1 ZINC001459477610 1067335194 /nfs/dbraw/zinc/33/51/94/1067335194.db2.gz DBNYFVMXGLVFCI-MRXNPFEDSA-N 0 0 451.792 4.523 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CC[C@H]1c1ccc(Br)cc1 ZINC001453924893 1067335340 /nfs/dbraw/zinc/33/53/40/1067335340.db2.gz COCXQTDGCYZZOO-SFHVURJKSA-N 0 0 451.748 4.643 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1 ZINC001459480133 1067335872 /nfs/dbraw/zinc/33/58/72/1067335872.db2.gz JMQZZHXLWWJYMD-JOCHJYFZSA-N 0 0 453.583 4.713 20 0 JJADRN O=C(Nc1ncc(C(F)(F)F)cc1Br)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001459479919 1067335908 /nfs/dbraw/zinc/33/59/08/1067335908.db2.gz OCMRMRYTKVMXDU-UHFFFAOYSA-N 0 0 454.202 4.705 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459485519 1067336546 /nfs/dbraw/zinc/33/65/46/1067336546.db2.gz MDQUDNVLSLSNQD-KRWDZBQOSA-N 0 0 451.394 4.546 20 0 JJADRN CCCN(Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)CC(F)(F)F ZINC001459486221 1067336654 /nfs/dbraw/zinc/33/66/54/1067336654.db2.gz LDKAIOHLLDBVKK-UHFFFAOYSA-N 0 0 457.088 4.635 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccncc3)cs2)o1 ZINC001459489528 1067337113 /nfs/dbraw/zinc/33/71/13/1067337113.db2.gz STSOQTSFKHSNGE-GOSISDBHSA-N 0 0 454.552 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccccc3c(Cl)n2)[C@@H](c2ccncc2)C1 ZINC001459493744 1067338373 /nfs/dbraw/zinc/33/83/73/1067338373.db2.gz XPDCYWMRXVKSSS-HXUWFJFHSA-N 0 0 452.942 4.717 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)C1 ZINC001546109302 1067338977 /nfs/dbraw/zinc/33/89/77/1067338977.db2.gz YOFCBHJITRQITB-SFHVURJKSA-N 0 0 483.604 4.648 20 0 JJADRN COc1ccc2oc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccncc3)c(C)c2c1 ZINC001459495917 1067339073 /nfs/dbraw/zinc/33/90/73/1067339073.db2.gz ZNDVBADBWJUWJL-HXUWFJFHSA-N 0 0 451.523 4.579 20 0 JJADRN COc1cccc(-c2nc(CN3CCN([C@H](C)c4ccc(Br)cc4)CC3)co2)c1 ZINC001459500634 1067339400 /nfs/dbraw/zinc/33/94/00/1067339400.db2.gz ZCXGTNYOUWRDOA-QGZVFWFLSA-N 0 0 456.384 4.992 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)Cc1ccc(I)cc1 ZINC001459504582 1067339564 /nfs/dbraw/zinc/33/95/64/1067339564.db2.gz ABVYDUOUOUTVNV-UHFFFAOYSA-N 0 0 458.137 4.645 20 0 JJADRN CC/C(=C/C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1cccc(Cl)c1 ZINC001459506468 1067339957 /nfs/dbraw/zinc/33/99/57/1067339957.db2.gz WRIKJIBAFOAREV-KAMYIIQDSA-N 0 0 450.764 4.766 20 0 JJADRN COC(=O)c1ccc(F)c(CN2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 ZINC001459506070 1067340033 /nfs/dbraw/zinc/34/00/33/1067340033.db2.gz YPOCPDRAHRJFGK-UHFFFAOYSA-N 0 0 452.501 4.653 20 0 JJADRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001459505937 1067340204 /nfs/dbraw/zinc/34/02/04/1067340204.db2.gz XRJJEWFQFJYBSU-HNNXBMFYSA-N 0 0 452.502 4.618 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCCOC(C)(C)C1 ZINC001459506475 1067340289 /nfs/dbraw/zinc/34/02/89/1067340289.db2.gz AGXGRMGNEHCDDL-UHFFFAOYSA-N 0 0 450.988 4.685 20 0 JJADRN CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(Br)c2I)C1 ZINC001459506842 1067340597 /nfs/dbraw/zinc/34/05/97/1067340597.db2.gz AYINKZYJPWUFLK-NSHDSACASA-N 0 0 450.158 4.952 20 0 JJADRN CCc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC001459510540 1067341597 /nfs/dbraw/zinc/34/15/97/1067341597.db2.gz CVUDAXPJNPGXSH-MRXNPFEDSA-N 0 0 450.446 4.526 20 0 JJADRN COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)c2cccs2)cc1 ZINC001459512743 1067342019 /nfs/dbraw/zinc/34/20/19/1067342019.db2.gz OGIHAWFSECWSON-LTGZKZEYSA-N 0 0 452.551 4.794 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Oc3cc(F)c(Br)cc3Cl)CC2=O)cc1 ZINC001459513800 1067342276 /nfs/dbraw/zinc/34/22/76/1067342276.db2.gz MUQINWFHVQMZBC-LLVKDONJSA-N 0 0 456.695 4.599 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)c4cccnc34)C2)cc1 ZINC001459522916 1067344245 /nfs/dbraw/zinc/34/42/45/1067344245.db2.gz CNKGLMVSCCAXBG-QGZVFWFLSA-N 0 0 452.352 4.797 20 0 JJADRN COc1cc(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459526516 1067344573 /nfs/dbraw/zinc/34/45/73/1067344573.db2.gz ZJUZQYDXICDPCZ-UHFFFAOYSA-N 0 0 458.555 4.683 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCSc1ccccc1Br)C(C)(C)C ZINC001459531274 1067346252 /nfs/dbraw/zinc/34/62/52/1067346252.db2.gz YJFHWVCLGZTEHX-INIZCTEOSA-N 0 0 459.450 4.987 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2cccc(CSc3ccc(C)cc3C)c2)O1 ZINC001459531818 1067346579 /nfs/dbraw/zinc/34/65/79/1067346579.db2.gz YTCBGYOZFVJUAR-MKWLTTDUSA-N 0 0 453.604 4.919 20 0 JJADRN CC(C)c1ncc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cn1 ZINC001459546796 1067348507 /nfs/dbraw/zinc/34/85/07/1067348507.db2.gz JFRHKKRDUUDDCE-UHFFFAOYSA-N 0 0 454.943 4.825 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1noc2c1CCc1ccccc1-2 ZINC001459547554 1067348985 /nfs/dbraw/zinc/34/89/85/1067348985.db2.gz IDUMKGFZLWHRKP-UHFFFAOYSA-N 0 0 458.345 4.526 20 0 JJADRN Cc1cccc(OC[C@H](O)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548011 1067348996 /nfs/dbraw/zinc/34/89/96/1067348996.db2.gz GPRDGRVSKCMZGY-RUZDIDTESA-N 0 0 458.602 4.909 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)c(C)c1 ZINC001459552186 1067349257 /nfs/dbraw/zinc/34/92/57/1067349257.db2.gz DZGWPAUUAUKERR-UHFFFAOYSA-N 0 0 455.514 4.596 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C1(c2c(F)cccc2F)CCC1 ZINC001459552282 1067349405 /nfs/dbraw/zinc/34/94/05/1067349405.db2.gz WZHWEPSPYFHBBY-UHFFFAOYSA-N 0 0 455.332 4.858 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(F)cc1F ZINC001459555182 1067350356 /nfs/dbraw/zinc/35/03/56/1067350356.db2.gz KQOILDMHNHOWJR-FUHWJXTLSA-N 0 0 452.782 4.744 20 0 JJADRN CC(C)c1ncc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)cn1 ZINC001459558848 1067350729 /nfs/dbraw/zinc/35/07/29/1067350729.db2.gz YHGONIIZIOWSMV-UHFFFAOYSA-N 0 0 455.301 4.960 20 0 JJADRN O=C(Nc1ccc(OC(F)F)cc1F)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001459557971 1067350891 /nfs/dbraw/zinc/35/08/91/1067350891.db2.gz WDKHKJPSGMHLLB-UHFFFAOYSA-N 0 0 452.816 4.574 20 0 JJADRN CN(C)c1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc(C(F)(F)F)c1 ZINC001459563355 1067352351 /nfs/dbraw/zinc/35/23/51/1067352351.db2.gz KSPGAEWBVFLYMW-MRXNPFEDSA-N 0 0 456.306 4.543 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](CO)c3c(F)cccc3F)c2)cc1 ZINC001546109935 1067352449 /nfs/dbraw/zinc/35/24/49/1067352449.db2.gz NVDAXIUFLBNIFI-DEOSSOPVSA-N 0 0 453.485 4.529 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001459566109 1067353157 /nfs/dbraw/zinc/35/31/57/1067353157.db2.gz BIFULJGUSLMKNM-HXUWFJFHSA-N 0 0 455.967 4.563 20 0 JJADRN CCN(CC1CCN([C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)CC1)C(=O)OC(C)(C)C ZINC001459565083 1067353232 /nfs/dbraw/zinc/35/32/32/1067353232.db2.gz ZQOABENJYQPAGP-IBGZPJMESA-N 0 0 458.521 4.889 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)CCOCC2)cc1C ZINC001459566595 1067353746 /nfs/dbraw/zinc/35/37/46/1067353746.db2.gz XYKYHIVRKSMHJQ-OAQYLSRUSA-N 0 0 457.412 4.509 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)C2)c1 ZINC001459572194 1067354667 /nfs/dbraw/zinc/35/46/67/1067354667.db2.gz RYPDIWVRNRKUJX-FQEVSTJZSA-N 0 0 450.432 4.694 20 0 JJADRN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001459574276 1067355270 /nfs/dbraw/zinc/35/52/70/1067355270.db2.gz ZOGKMFHHPUOYDJ-UHFFFAOYSA-N 0 0 456.871 4.850 20 0 JJADRN COC[C@@]1(C(=O)Nc2cccc(OCCc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001459572731 1067355299 /nfs/dbraw/zinc/35/52/99/1067355299.db2.gz DZSVGAYESNDZEM-AREMUKBSSA-N 0 0 454.567 4.520 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cnn(-c2ccccc2OC)c1C ZINC001459576542 1067356016 /nfs/dbraw/zinc/35/60/16/1067356016.db2.gz LNROXTHOWWFROU-QGZVFWFLSA-N 0 0 454.368 4.929 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3F)C2)s1 ZINC001459583501 1067356977 /nfs/dbraw/zinc/35/69/77/1067356977.db2.gz GDSYEEOZKUOLPB-LLVKDONJSA-N 0 0 451.372 4.542 20 0 JJADRN O=C(c1ccc(C(F)(F)F)s1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459582345 1067357180 /nfs/dbraw/zinc/35/71/80/1067357180.db2.gz DGEPWWDTJQTMIH-UHFFFAOYSA-N 0 0 451.283 4.627 20 0 JJADRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc(Br)c1OC ZINC001459585908 1067357345 /nfs/dbraw/zinc/35/73/45/1067357345.db2.gz SHDVMLRPSXHZLE-SWLSCSKDSA-N 0 0 455.146 4.515 20 0 JJADRN Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 ZINC001459584179 1067357479 /nfs/dbraw/zinc/35/74/79/1067357479.db2.gz FTUUEYBAMBYFSO-KRWDZBQOSA-N 0 0 455.892 4.908 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC001459586559 1067357846 /nfs/dbraw/zinc/35/78/46/1067357846.db2.gz YWDJTTOHZIDTIA-OAHLLOKOSA-N 0 0 458.322 4.731 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2ccc(SC)cc2)nnc1-c1ccccc1 ZINC001459588799 1067358256 /nfs/dbraw/zinc/35/82/56/1067358256.db2.gz SUUCVCUPVCOJPQ-IRXDYDNUSA-N 0 0 456.637 4.844 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1C(=O)N(C)C(C)C ZINC001459593532 1067358969 /nfs/dbraw/zinc/35/89/69/1067358969.db2.gz BFXXXPJYRFTMQX-UHFFFAOYSA-N 0 0 450.608 4.940 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(Cc3cccc(Cl)c3Br)CC2)cs1 ZINC001459591828 1067359107 /nfs/dbraw/zinc/35/91/07/1067359107.db2.gz JAGDKGHUWSKPSB-AWEZNQCLSA-N 0 0 458.853 4.974 20 0 JJADRN CCC(=O)Nc1cccc(COC(=O)c2cc(C)c(Cl)cc2I)c1 ZINC001459593402 1067359130 /nfs/dbraw/zinc/35/91/30/1067359130.db2.gz LDQASUPVNSWGFF-UHFFFAOYSA-N 0 0 457.695 4.959 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)CN(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC001459594276 1067359331 /nfs/dbraw/zinc/35/93/31/1067359331.db2.gz MENAIZXGTBZKHY-NFBKMPQASA-N 0 0 450.620 4.771 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 ZINC001459603633 1067360632 /nfs/dbraw/zinc/36/06/32/1067360632.db2.gz TXBHERLMOLJYCI-UHFFFAOYSA-N 0 0 459.377 4.880 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1ncc(C(F)(F)F)s1 ZINC001459606402 1067361571 /nfs/dbraw/zinc/36/15/71/1067361571.db2.gz BEFFOPAHXWZCLS-HXUWFJFHSA-N 0 0 450.482 4.742 20 0 JJADRN C[C@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607303 1067362064 /nfs/dbraw/zinc/36/20/64/1067362064.db2.gz HZPPHOQPSZQQQQ-KXBFYZLASA-N 0 0 458.430 4.577 20 0 JJADRN CCc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Br)cc2)CCC3)n(C)n1 ZINC001459609951 1067362937 /nfs/dbraw/zinc/36/29/37/1067362937.db2.gz WEWCZVFUKZNJOH-UHFFFAOYSA-N 0 0 458.381 4.779 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001459610878 1067363071 /nfs/dbraw/zinc/36/30/71/1067363071.db2.gz QETGPZFWFKVFDT-RBUKOAKNSA-N 0 0 457.640 4.642 20 0 JJADRN CC1(C)C[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c2cc(Br)ccc2O1 ZINC001459611032 1067363088 /nfs/dbraw/zinc/36/30/88/1067363088.db2.gz SWZRYZIDEUSAID-UYAOXDASSA-N 0 0 458.352 4.899 20 0 JJADRN C[C@@H]1CCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459610892 1067363245 /nfs/dbraw/zinc/36/32/45/1067363245.db2.gz QJWDRLNISXJQLZ-GDBMZVCRSA-N 0 0 458.584 4.782 20 0 JJADRN Cc1c(C(=O)Nc2cc(-c3ccnn3C)ccc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001459610974 1067363365 /nfs/dbraw/zinc/36/33/65/1067363365.db2.gz SIIJPECOMRUKQZ-UHFFFAOYSA-N 0 0 454.456 4.615 20 0 JJADRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)c2cc(I)nn2C)c1 ZINC001459612252 1067363904 /nfs/dbraw/zinc/36/39/04/1067363904.db2.gz FNRCIOFPZBCXRR-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)Oc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)c1C ZINC001459613369 1067364083 /nfs/dbraw/zinc/36/40/83/1067364083.db2.gz BVVYNUDOHJGMFV-UYAOXDASSA-N 0 0 452.551 4.848 20 0 JJADRN COc1ccc(-n2nnc(C(=O)N3CCC[C@H]3c3ccc(Br)c(C)c3)c2C)cc1 ZINC001459614392 1067364571 /nfs/dbraw/zinc/36/45/71/1067364571.db2.gz BJSZRMDAEFOHPT-FQEVSTJZSA-N 0 0 455.356 4.633 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@H](O)c1ccco1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459617470 1067365342 /nfs/dbraw/zinc/36/53/42/1067365342.db2.gz BSLYTPRYCVKQFI-VWLOTQADSA-N 0 0 454.526 4.685 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1 ZINC001459617424 1067365738 /nfs/dbraw/zinc/36/57/38/1067365738.db2.gz PTWFAFZXYSPMRJ-XMSQKQJNSA-N 0 0 452.551 4.791 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC001459619865 1067365991 /nfs/dbraw/zinc/36/59/91/1067365991.db2.gz YUGYUGANQKHVAN-UHFFFAOYSA-N 0 0 450.333 4.825 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(F)(F)F ZINC001459621175 1067366294 /nfs/dbraw/zinc/36/62/94/1067366294.db2.gz YEFAWWPBSUALEC-JLTOFOAXSA-N 0 0 457.456 4.841 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)c1C ZINC001459622565 1067366684 /nfs/dbraw/zinc/36/66/84/1067366684.db2.gz SLIYTTCHTBILFW-HXUWFJFHSA-N 0 0 450.398 4.755 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1C ZINC001459622563 1067366729 /nfs/dbraw/zinc/36/67/29/1067366729.db2.gz SLIYTTCHTBILFW-FQEVSTJZSA-N 0 0 450.398 4.755 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)cc1C(F)(F)F ZINC001459622919 1067366855 /nfs/dbraw/zinc/36/68/55/1067366855.db2.gz ZLEBUABZLNEBFW-HYXAFXHYSA-N 0 0 452.281 4.745 20 0 JJADRN COC(=O)CCC1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC001459622330 1067366889 /nfs/dbraw/zinc/36/68/89/1067366889.db2.gz RQIBTAOEPZUPRZ-UHFFFAOYSA-N 0 0 451.592 4.875 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1C[C@@H](C)Oc2ccc(C)cc21 ZINC001459624839 1067367159 /nfs/dbraw/zinc/36/71/59/1067367159.db2.gz BEJRWZHMPTWHMR-MRXNPFEDSA-N 0 0 453.564 4.624 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccccc3OC)n2Cc2nccc(C(F)F)n2)C1 ZINC001546110594 1067367363 /nfs/dbraw/zinc/36/73/63/1067367363.db2.gz FFNQAHOLAWSABD-UHFFFAOYSA-N 0 0 456.541 4.670 20 0 JJADRN CN(CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001459630141 1067367385 /nfs/dbraw/zinc/36/73/85/1067367385.db2.gz WYFJPZXTXPFOOZ-CLJLJLNGSA-N 0 0 452.549 4.767 20 0 JJADRN CN(CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001459630145 1067367397 /nfs/dbraw/zinc/36/73/97/1067367397.db2.gz WYFJPZXTXPFOOZ-FTJBHMTQSA-N 0 0 452.549 4.767 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001546110598 1067367972 /nfs/dbraw/zinc/36/79/72/1067367972.db2.gz FHTDIBDAPLAMEQ-UHFFFAOYSA-N 0 0 481.954 4.734 20 0 JJADRN CCN(C[C@@H]1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631158 1067369020 /nfs/dbraw/zinc/36/90/20/1067369020.db2.gz KSFIVNGDKSIZQT-IRXDYDNUSA-N 0 0 454.562 4.652 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001459637426 1067369640 /nfs/dbraw/zinc/36/96/40/1067369640.db2.gz LXHSLJZCKQPLJV-HWOJHCLVSA-N 0 0 455.723 4.619 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1csc(-c2ccc(CC)cc2)n1 ZINC001459636782 1067369652 /nfs/dbraw/zinc/36/96/52/1067369652.db2.gz WNRNVNJMILNCBM-OAQYLSRUSA-N 0 0 456.995 4.859 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001459637428 1067370083 /nfs/dbraw/zinc/37/00/83/1067370083.db2.gz LXHSLJZCKQPLJV-UZCIPKQKSA-N 0 0 455.723 4.619 20 0 JJADRN O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(Cl)cc1I ZINC001459644220 1067371013 /nfs/dbraw/zinc/37/10/13/1067371013.db2.gz LQDQGTOTGNXSKH-FPLPWBNLSA-N 0 0 454.720 4.884 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)nn1 ZINC001459647582 1067371534 /nfs/dbraw/zinc/37/15/34/1067371534.db2.gz HFGTWQMLBVRIBZ-UHFFFAOYSA-N 0 0 457.481 4.855 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647998 1067371604 /nfs/dbraw/zinc/37/16/04/1067371604.db2.gz XJOIGFDKSPTZQB-IRXDYDNUSA-N 0 0 456.608 4.629 20 0 JJADRN Cc1cnn(-c2c(C(=O)Nc3nc(C)c(Cc4cccc(Cl)c4F)s3)c(C)nn2C)c1 ZINC001459649408 1067371702 /nfs/dbraw/zinc/37/17/02/1067371702.db2.gz NJFKDPVJOJUZKC-UHFFFAOYSA-N 0 0 458.950 4.623 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651315 1067372002 /nfs/dbraw/zinc/37/20/02/1067372002.db2.gz HOMOBUFADGPOLS-QGZVFWFLSA-N 0 0 454.368 4.746 20 0 JJADRN CCn1ncc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)c1Br ZINC001459652296 1067372337 /nfs/dbraw/zinc/37/23/37/1067372337.db2.gz RSXKLNZMXOGROS-UHFFFAOYSA-N 0 0 459.291 4.691 20 0 JJADRN Cc1ccc([C@@H](NC(=O)COc2ccc3oc4ccccc4c3c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459653573 1067372572 /nfs/dbraw/zinc/37/25/72/1067372572.db2.gz IOOYJVXVAIDHKF-NSYGIPOTSA-N 0 0 451.544 4.564 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](c3ccc(C)cc3)[C@H](C)S(C)(=O)=O)sc2C)cc1 ZINC001459653753 1067372713 /nfs/dbraw/zinc/37/27/13/1067372713.db2.gz JSNCPWSVSGKDEV-SBUREZEXSA-N 0 0 457.617 4.945 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2cccc(Cl)c2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459656391 1067372922 /nfs/dbraw/zinc/37/29/22/1067372922.db2.gz NSFZUECBHRGDTR-VFNWGFHPSA-N 0 0 458.407 4.751 20 0 JJADRN Cc1ccc([C@H](NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC001459655832 1067372929 /nfs/dbraw/zinc/37/29/29/1067372929.db2.gz MAVCSBSXOVWBKA-XCYRBEKOSA-N 0 0 459.917 4.885 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC001459657938 1067373521 /nfs/dbraw/zinc/37/35/21/1067373521.db2.gz NUBVHAAJEBUJSL-KBMIEXCESA-N 0 0 451.588 4.965 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001459660297 1067374237 /nfs/dbraw/zinc/37/42/37/1067374237.db2.gz BXWJCIYQHMFNGQ-AWEZNQCLSA-N 0 0 459.333 4.548 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)CCC2)cc1C ZINC001459660825 1067374454 /nfs/dbraw/zinc/37/44/54/1067374454.db2.gz AKSNLYXSEDZXIQ-OAQYLSRUSA-N 0 0 456.533 4.748 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC001459661501 1067374659 /nfs/dbraw/zinc/37/46/59/1067374659.db2.gz DUIQYLOSKLCYPO-UHFFFAOYSA-N 0 0 455.514 4.792 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N(C)Cc4ccccc4)cn3)cs2)cc1 ZINC001459662066 1067374801 /nfs/dbraw/zinc/37/48/01/1067374801.db2.gz GTRLILMXZMNFJF-UHFFFAOYSA-N 0 0 458.543 4.738 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459663435 1067375240 /nfs/dbraw/zinc/37/52/40/1067375240.db2.gz VOOQRNQDZIVHIP-ACJLOTCBSA-N 0 0 458.805 4.624 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1 ZINC001459662867 1067375509 /nfs/dbraw/zinc/37/55/09/1067375509.db2.gz WNXUIRRRKIOOGV-UHFFFAOYSA-N 0 0 453.326 4.819 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 ZINC001459664364 1067375823 /nfs/dbraw/zinc/37/58/23/1067375823.db2.gz PQVGIDSAXLNPOK-QFIPXVFZSA-N 0 0 454.998 4.808 20 0 JJADRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)nc1 ZINC001459666059 1067376826 /nfs/dbraw/zinc/37/68/26/1067376826.db2.gz VFTGHZBAMXDUIT-UHFFFAOYSA-N 0 0 456.468 4.684 20 0 JJADRN CN(CCOc1ccccc1C(C)(C)C)C(=O)/C=C\c1ccc(I)o1 ZINC001459670539 1067378637 /nfs/dbraw/zinc/37/86/37/1067378637.db2.gz HYVLOSOVZXCLRH-BENRWUELSA-N 0 0 453.320 4.732 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459671857 1067378840 /nfs/dbraw/zinc/37/88/40/1067378840.db2.gz LOHONNOWQYEZAX-PMACEKPBSA-N 0 0 453.926 4.618 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ncc(C)c(-c3ccccc3)n2)[C@@H]1c1ccc(OC)cc1 ZINC001459671625 1067378937 /nfs/dbraw/zinc/37/89/37/1067378937.db2.gz CLVVRLALEYJNRQ-RDGATRHJSA-N 0 0 458.562 4.789 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672217 1067379340 /nfs/dbraw/zinc/37/93/40/1067379340.db2.gz OVVHAAOKMLQBQG-CVDCTZTESA-N 0 0 453.583 4.961 20 0 JJADRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001459672249 1067379390 /nfs/dbraw/zinc/37/93/90/1067379390.db2.gz YMZZXSOWUCBSDG-IBGZPJMESA-N 0 0 454.014 4.879 20 0 JJADRN COc1cccc([C@@H]2CN(Cc3csc(CC(=O)Nc4cc(C)ccc4C)n3)CCO2)c1 ZINC001459673954 1067379613 /nfs/dbraw/zinc/37/96/13/1067379613.db2.gz WBCOYXVZQPXMCV-QHCPKHFHSA-N 0 0 451.592 4.523 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1NC(=O)c1ccccc1F ZINC001459676163 1067380990 /nfs/dbraw/zinc/38/09/90/1067380990.db2.gz YQJQZRYJSQGABF-FQEVSTJZSA-N 0 0 459.521 4.512 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN(CC)CCc1ccccn1 ZINC001459678896 1067381467 /nfs/dbraw/zinc/38/14/67/1067381467.db2.gz XNXCQESQMUXVDQ-UHFFFAOYSA-N 0 0 451.592 4.798 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)C2)n(C)n1 ZINC001459678551 1067381539 /nfs/dbraw/zinc/38/15/39/1067381539.db2.gz NBXFVSSKFPDOLC-AWEZNQCLSA-N 0 0 450.395 4.558 20 0 JJADRN Cc1cc(CN(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC001459678909 1067381550 /nfs/dbraw/zinc/38/15/50/1067381550.db2.gz XTUUBJFKKAYHLF-UHFFFAOYSA-N 0 0 453.380 4.824 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2F)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC001459678831 1067381634 /nfs/dbraw/zinc/38/16/34/1067381634.db2.gz VAMWHFZPWXHICZ-UHFFFAOYSA-N 0 0 453.539 4.587 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2ccccc2c1 ZINC001459680417 1067381866 /nfs/dbraw/zinc/38/18/66/1067381866.db2.gz ZASMOONKYHSVRU-NRFANRHFSA-N 0 0 451.364 4.802 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546111107 1067382306 /nfs/dbraw/zinc/38/23/06/1067382306.db2.gz YWTJMQJVBAQOSE-JOCHJYFZSA-N 0 0 468.596 4.862 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)[C@H]1C ZINC001459684672 1067383150 /nfs/dbraw/zinc/38/31/50/1067383150.db2.gz SJDKHQWVTCBFAM-FRRDWIJNSA-N 0 0 459.310 4.851 20 0 JJADRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(=O)c1ccc(Br)s1 ZINC001459687642 1067383805 /nfs/dbraw/zinc/38/38/05/1067383805.db2.gz LDAIIYBVHRFXGZ-UHFFFAOYSA-N 0 0 458.202 4.995 20 0 JJADRN CCCN(C(=O)COc1ccc(Br)cc1F)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459688600 1067384165 /nfs/dbraw/zinc/38/41/65/1067384165.db2.gz CACUQYGDLXSGRS-HNNXBMFYSA-N 0 0 451.336 4.541 20 0 JJADRN CCCc1nc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)nn1-c1ccccc1Cl ZINC001459690680 1067384833 /nfs/dbraw/zinc/38/48/33/1067384833.db2.gz MWWWYWMLUMJSKC-DOTOQJQBSA-N 0 0 459.775 4.922 20 0 JJADRN C[C@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001459690012 1067384896 /nfs/dbraw/zinc/38/48/96/1067384896.db2.gz NPBKKEFYOKFBHP-STQMWFEESA-N 0 0 453.370 4.820 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ncc(-c4ccccc4)cn3)c2)cc1 ZINC001459691374 1067385230 /nfs/dbraw/zinc/38/52/30/1067385230.db2.gz PSERHTLGXQSTBG-UHFFFAOYSA-N 0 0 458.543 4.529 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1C ZINC001459692399 1067385337 /nfs/dbraw/zinc/38/53/37/1067385337.db2.gz TWKBNAWGTOIFDH-UHFFFAOYSA-N 0 0 451.454 4.582 20 0 JJADRN Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)o2)cc1C ZINC001459691075 1067385496 /nfs/dbraw/zinc/38/54/96/1067385496.db2.gz QIWCPCDWDANBAO-QGZVFWFLSA-N 0 0 458.484 4.891 20 0 JJADRN CC(C)N(CC(F)(F)F)C(=O)CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459693163 1067385672 /nfs/dbraw/zinc/38/56/72/1067385672.db2.gz UMXFOPBUBOWAMI-MRXNPFEDSA-N 0 0 454.320 4.586 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001459693748 1067386254 /nfs/dbraw/zinc/38/62/54/1067386254.db2.gz RXBAAABPVARIQQ-DLBZAZTESA-N 0 0 450.258 4.940 20 0 JJADRN CCCCn1c(N)c(N(Cc2c(Cl)oc3ccccc32)Cc2ccccc2)c(=O)[nH]c1=O ZINC001459695143 1067386647 /nfs/dbraw/zinc/38/66/47/1067386647.db2.gz SKFPCLPWPVMTJM-UHFFFAOYSA-N 0 0 452.942 4.938 20 0 JJADRN COC(=O)c1ccc(Cl)c(CN(Cc2ccccc2OC)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC001459697048 1067386879 /nfs/dbraw/zinc/38/68/79/1067386879.db2.gz KLRLECDFBXRZPR-UHFFFAOYSA-N 0 0 451.910 4.924 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3F)nc2)cs1 ZINC001459697697 1067387352 /nfs/dbraw/zinc/38/73/52/1067387352.db2.gz ZGSNLPRRASHFOS-UHFFFAOYSA-N 0 0 452.467 4.804 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001459698321 1067387479 /nfs/dbraw/zinc/38/74/79/1067387479.db2.gz YPBXSMISYNZIDI-BTYIYWSLSA-N 0 0 453.366 4.801 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)c1ccc2[nH]c(=O)[nH]c2c1)NCc1ccc(Cl)cc1 ZINC001459699013 1067387836 /nfs/dbraw/zinc/38/78/36/1067387836.db2.gz KZLUNUBONLOUKN-UHFFFAOYSA-N 0 0 455.345 4.898 20 0 JJADRN Cc1cc(CNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)ccc1I ZINC001459701296 1067388078 /nfs/dbraw/zinc/38/80/78/1067388078.db2.gz OKQBGKFKSRTTJT-UHFFFAOYSA-N 0 0 455.164 4.827 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)C2)cc1 ZINC001459700632 1067388131 /nfs/dbraw/zinc/38/81/31/1067388131.db2.gz XMYJWPBUKXCEKB-QNWVGRARSA-N 0 0 454.636 4.885 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)C2)c1 ZINC001459708582 1067390310 /nfs/dbraw/zinc/39/03/10/1067390310.db2.gz FOXAGPCXEBEBMF-QGZVFWFLSA-N 0 0 454.477 4.782 20 0 JJADRN COCCOc1ccc(CNC(=O)CN[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1 ZINC001459708764 1067390332 /nfs/dbraw/zinc/39/03/32/1067390332.db2.gz UOYOFFUINVRNEY-QFIPXVFZSA-N 0 0 452.517 4.519 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1C ZINC001459710127 1067391324 /nfs/dbraw/zinc/39/13/24/1067391324.db2.gz AGPVYKVUMMBGBY-CYBMUJFWSA-N 0 0 458.274 4.914 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)c1cnn(CCC(C)C)c1C)c1ccc(Br)cc1C ZINC001459710831 1067391752 /nfs/dbraw/zinc/39/17/52/1067391752.db2.gz HAIZYPHYDOGKSY-INIZCTEOSA-N 0 0 450.377 4.517 20 0 JJADRN O=C(N(CCc1ccccn1)Cc1cccnc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459711367 1067391773 /nfs/dbraw/zinc/39/17/73/1067391773.db2.gz WKJNSGGVRWGUJY-UHFFFAOYSA-N 0 0 455.480 4.969 20 0 JJADRN CC(C)N(C(=O)CCNC(=O)c1cc(F)ccc1Br)c1cnc2ccccc2c1 ZINC001459712245 1067392198 /nfs/dbraw/zinc/39/21/98/1067392198.db2.gz BXNYDUJFKITVAR-UHFFFAOYSA-N 0 0 458.331 4.698 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nc3cccc(Cl)c3s2)c1 ZINC001459713209 1067392380 /nfs/dbraw/zinc/39/23/80/1067392380.db2.gz AGBSDRQHTRKOMO-UHFFFAOYSA-N 0 0 452.001 4.565 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(Br)cc1C ZINC001459714266 1067392968 /nfs/dbraw/zinc/39/29/68/1067392968.db2.gz WPJZDIBABDIWJS-CQSZACIVSA-N 0 0 452.320 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(-c4nncs4)cc3)o2)CC1 ZINC001459714927 1067393373 /nfs/dbraw/zinc/39/33/73/1067393373.db2.gz YNNNPQQPBBXIKU-UHFFFAOYSA-N 0 0 455.540 4.560 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC001459716505 1067394357 /nfs/dbraw/zinc/39/43/57/1067394357.db2.gz LUSUSCVJXQXCMQ-UQBPGWFLSA-N 0 0 450.579 4.665 20 0 JJADRN COc1ccc([C@H](CNC(=O)CN(C)[C@H](C)c2cccc(O)c2)c2c[nH]c3ccccc32)cc1 ZINC001459718412 1067394677 /nfs/dbraw/zinc/39/46/77/1067394677.db2.gz KJTUVVZXMGSCJW-CLOONOSVSA-N 0 0 457.574 4.823 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)OCc2nc(C3CCCCC3)cs2)c1 ZINC001459724571 1067396309 /nfs/dbraw/zinc/39/63/09/1067396309.db2.gz RWTFQYGUKQLYPZ-UHFFFAOYSA-N 0 0 454.589 4.716 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)O[C@@H](c1nc2ccccc2o1)C(F)(F)F ZINC001459725862 1067396891 /nfs/dbraw/zinc/39/68/91/1067396891.db2.gz ONEANGLAHSLEDL-KRWDZBQOSA-N 0 0 458.230 4.996 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)nnn1-c1ccccc1Cl ZINC001459727743 1067397400 /nfs/dbraw/zinc/39/74/00/1067397400.db2.gz HVKWJCPIISQTTR-AWEZNQCLSA-N 0 0 450.757 4.545 20 0 JJADRN CCOC[C@H](NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001459727174 1067397519 /nfs/dbraw/zinc/39/75/19/1067397519.db2.gz FXZWCBOEOQWTSV-QAPCUYQASA-N 0 0 459.637 4.863 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1OC ZINC001459735160 1067399467 /nfs/dbraw/zinc/39/94/67/1067399467.db2.gz HXBMJSNFCSRILG-UHFFFAOYSA-N 0 0 457.486 4.595 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)ccc1Cl)C(C)C ZINC001459734656 1067399521 /nfs/dbraw/zinc/39/95/21/1067399521.db2.gz CAEIQSVDCQNXBB-UHFFFAOYSA-N 0 0 458.912 4.767 20 0 JJADRN O=C(CN(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC001459737167 1067400008 /nfs/dbraw/zinc/40/00/08/1067400008.db2.gz XXPBSLFVHXHCRJ-UHFFFAOYSA-N 0 0 457.299 4.962 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001459738183 1067400089 /nfs/dbraw/zinc/40/00/89/1067400089.db2.gz ITFMIHPRZVBJNO-UHFFFAOYSA-N 0 0 457.727 4.576 20 0 JJADRN CCOC(=O)C1(NCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCCC1 ZINC001459738805 1067400400 /nfs/dbraw/zinc/40/04/00/1067400400.db2.gz XLQKHUBVGYVKEU-UHFFFAOYSA-N 0 0 455.502 4.812 20 0 JJADRN C[C@]1(NC(=O)c2cc(Cl)cc(Br)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739529 1067400428 /nfs/dbraw/zinc/40/04/28/1067400428.db2.gz XDFGLUFOQNEBSU-FQEVSTJZSA-N 0 0 451.748 4.634 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc(C(F)(F)F)c1 ZINC001459739393 1067400448 /nfs/dbraw/zinc/40/04/48/1067400448.db2.gz OQQHBGUNQOPOAW-UHFFFAOYSA-N 0 0 455.864 4.643 20 0 JJADRN Nc1c(N(CCC2=CCCCC2)C[C@H]2CCC(F)(F)C2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC001459740161 1067400958 /nfs/dbraw/zinc/40/09/58/1067400958.db2.gz AXPXYQSWWANGDC-FQEVSTJZSA-N 0 0 458.553 4.712 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC001459740942 1067401486 /nfs/dbraw/zinc/40/14/86/1067401486.db2.gz XEPHSGBIHOHQDN-UHFFFAOYSA-N 0 0 459.974 4.942 20 0 JJADRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(Br)cc(Br)c1 ZINC001459741241 1067402061 /nfs/dbraw/zinc/40/20/61/1067402061.db2.gz FLBGVJLJEFFQFF-UHFFFAOYSA-N 0 0 457.137 4.786 20 0 JJADRN Cc1ccc(N(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)Cc2ccccc2)cc1 ZINC001459743231 1067402352 /nfs/dbraw/zinc/40/23/52/1067402352.db2.gz PCEPCBCUTOMYQZ-UHFFFAOYSA-N 0 0 455.602 4.731 20 0 JJADRN O=C(CN(CCOC(=O)Cc1ccccc1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC001459743110 1067402517 /nfs/dbraw/zinc/40/25/17/1067402517.db2.gz QLZBUUMVTGCQPS-UHFFFAOYSA-N 0 0 454.929 4.706 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc2cnn(C(C)C)c2nc1C)C1CC1 ZINC001459744201 1067403091 /nfs/dbraw/zinc/40/30/91/1067403091.db2.gz TYEZASZKGCNUMJ-OAQYLSRUSA-N 0 0 454.958 4.883 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744264 1067403353 /nfs/dbraw/zinc/40/33/53/1067403353.db2.gz WJAAAPRVBUWSIR-STQMWFEESA-N 0 0 455.773 4.720 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)[C@H](C)C(F)(F)F ZINC001459744538 1067403388 /nfs/dbraw/zinc/40/33/88/1067403388.db2.gz DOXDSPYBLUQCBF-CQSZACIVSA-N 0 0 452.477 4.965 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC001459746413 1067403952 /nfs/dbraw/zinc/40/39/52/1067403952.db2.gz BKEKHKYYHFKMKH-GFCCVEGCSA-N 0 0 453.262 4.866 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC001459746415 1067404029 /nfs/dbraw/zinc/40/40/29/1067404029.db2.gz BKEKHKYYHFKMKH-LBPRGKRZSA-N 0 0 453.262 4.866 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)C1)OCc1ccccc1 ZINC001459751979 1067406381 /nfs/dbraw/zinc/40/63/81/1067406381.db2.gz AKSNIMQIIJDUAX-OAHLLOKOSA-N 0 0 455.864 4.532 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)N1CCCCC1=O ZINC001459751487 1067406390 /nfs/dbraw/zinc/40/63/90/1067406390.db2.gz FUPGUGRRFGMNPP-CQSZACIVSA-N 0 0 451.283 4.713 20 0 JJADRN O=C(c1cc(I)ccc1F)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459752746 1067406950 /nfs/dbraw/zinc/40/69/50/1067406950.db2.gz GPRHEZWTXIUAMZ-UHFFFAOYSA-N 0 0 452.050 4.776 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)cc1)c1ccccc1 ZINC001459755586 1067408422 /nfs/dbraw/zinc/40/84/22/1067408422.db2.gz AFZHESYMIZRMGH-VWLOTQADSA-N 0 0 456.542 4.701 20 0 JJADRN Cc1cc(Br)cc2c1N(CC(=O)NCc1ccc(OC(F)(F)F)cc1)CCC2 ZINC001459755318 1067408486 /nfs/dbraw/zinc/40/84/86/1067408486.db2.gz UXINTGUZOIJOLI-UHFFFAOYSA-N 0 0 457.290 4.725 20 0 JJADRN COc1ccc([C@H](NCC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1Br ZINC001459755198 1067408520 /nfs/dbraw/zinc/40/85/20/1067408520.db2.gz SSAZWZRLHNOYDZ-XMMPIXPASA-N 0 0 453.380 4.795 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(Br)cn3)C2)n1 ZINC001459756756 1067408881 /nfs/dbraw/zinc/40/88/81/1067408881.db2.gz DPBMVKBPQBDSHP-AWEZNQCLSA-N 0 0 458.381 4.996 20 0 JJADRN Cc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c1I ZINC001459756900 1067409317 /nfs/dbraw/zinc/40/93/17/1067409317.db2.gz HTAYOIHRYKAUHO-UHFFFAOYSA-N 0 0 453.230 4.531 20 0 JJADRN Cc1cc(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC001459757978 1067409853 /nfs/dbraw/zinc/40/98/53/1067409853.db2.gz KWBXFUDNCMDJOF-UHFFFAOYSA-N 0 0 456.974 4.793 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)CC1=O ZINC001459759734 1067411457 /nfs/dbraw/zinc/41/14/57/1067411457.db2.gz ZUVPYWKYKNFOQE-IRXDYDNUSA-N 0 0 453.489 4.760 20 0 JJADRN CC(C)c1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cnn1-c1ccc(Cl)cc1 ZINC001459760758 1067411825 /nfs/dbraw/zinc/41/18/25/1067411825.db2.gz OVKGJUNKMZJMEH-UHFFFAOYSA-N 0 0 451.889 4.586 20 0 JJADRN CCc1c(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cnn1-c1cccc(C)c1 ZINC001459761526 1067411843 /nfs/dbraw/zinc/41/18/43/1067411843.db2.gz SFBMSUYSYLXWBK-UHFFFAOYSA-N 0 0 450.340 4.944 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)O[C@@H]1COc2cc(Cl)ccc21 ZINC001459771598 1067415577 /nfs/dbraw/zinc/41/55/77/1067415577.db2.gz RJIASJRMGLLVLT-MSOLQXFVSA-N 0 0 457.832 4.954 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC001459774700 1067416773 /nfs/dbraw/zinc/41/67/73/1067416773.db2.gz JUKLTIHLQXEFRB-ZIAGYGMSSA-N 0 0 452.311 4.685 20 0 JJADRN C[C@H](CC(=O)OCc1ccc(OC(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC001459778368 1067417607 /nfs/dbraw/zinc/41/76/07/1067417607.db2.gz QHRNNCLWZKDMRS-LLVKDONJSA-N 0 0 454.825 4.673 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccc3F)co2)[C@@H]1c1ccc(OC)cc1 ZINC001459779916 1067417650 /nfs/dbraw/zinc/41/76/50/1067417650.db2.gz NBVBYCPNHXKVQC-CVDCTZTESA-N 0 0 451.498 4.818 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC001459778673 1067417664 /nfs/dbraw/zinc/41/76/64/1067417664.db2.gz HUJRRWGGYJGXFT-IINYFYTJSA-N 0 0 457.187 4.942 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(-c3ccccc3F)co2)[C@H]1c1ccc(OC)cc1 ZINC001459779914 1067417677 /nfs/dbraw/zinc/41/76/77/1067417677.db2.gz NBVBYCPNHXKVQC-AUSIDOKSSA-N 0 0 451.498 4.818 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC001459778668 1067417803 /nfs/dbraw/zinc/41/78/03/1067417803.db2.gz HUJRRWGGYJGXFT-HZMBPMFUSA-N 0 0 457.187 4.942 20 0 JJADRN O=C(OCc1ccc(OC(F)(F)F)cc1Cl)[C@H]1CCCN1c1ncnc2sccc21 ZINC001459779811 1067417822 /nfs/dbraw/zinc/41/78/22/1067417822.db2.gz WCRNVWSTLRCKGH-OAHLLOKOSA-N 0 0 457.861 4.956 20 0 JJADRN CCOc1ccc(C2=CCN(CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1 ZINC001459779427 1067417837 /nfs/dbraw/zinc/41/78/37/1067417837.db2.gz MTRSKQDXWQQPNL-XMMPIXPASA-N 0 0 450.579 4.555 20 0 JJADRN Cc1cccc(OCCCNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1C ZINC001459780180 1067418207 /nfs/dbraw/zinc/41/82/07/1067418207.db2.gz LCHQWCNLEUNDMX-DNQXCXABSA-N 0 0 466.622 4.914 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2nc(-c3ccccc3F)co2)[C@H]1c1ccc(OC)cc1 ZINC001459779919 1067418212 /nfs/dbraw/zinc/41/82/12/1067418212.db2.gz NBVBYCPNHXKVQC-WMZHIEFXSA-N 0 0 451.498 4.818 20 0 JJADRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001459782309 1067418930 /nfs/dbraw/zinc/41/89/30/1067418930.db2.gz FBVFMZNCNQXISF-GFCCVEGCSA-N 0 0 457.246 4.877 20 0 JJADRN Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)nn1 ZINC001459782958 1067419949 /nfs/dbraw/zinc/41/99/49/1067419949.db2.gz MNRNCOOSFYTLMI-UHFFFAOYSA-N 0 0 459.197 4.628 20 0 JJADRN CCc1c(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cnn1-c1ccccc1Cl ZINC001459783739 1067420629 /nfs/dbraw/zinc/42/06/29/1067420629.db2.gz SRWQBPZBBPSGNQ-UHFFFAOYSA-N 0 0 455.971 4.505 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1C ZINC001459790273 1067423366 /nfs/dbraw/zinc/42/33/66/1067423366.db2.gz DXHJLDZEEGHGMI-LJQANCHMSA-N 0 0 450.970 4.887 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)c3c(Cl)nn(C)c3Cl)CC2)n1 ZINC001459790260 1067423372 /nfs/dbraw/zinc/42/33/72/1067423372.db2.gz DSJDBERMXFJDMG-UHFFFAOYSA-N 0 0 451.379 4.879 20 0 JJADRN COc1ccc(OC)c(CC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001459790407 1067423379 /nfs/dbraw/zinc/42/33/79/1067423379.db2.gz GHZBNZRBSRATIL-UHFFFAOYSA-N 0 0 452.576 4.785 20 0 JJADRN CCc1c(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC001459790421 1067423992 /nfs/dbraw/zinc/42/39/92/1067423992.db2.gz GMMWLHFZDWNPAA-KUHUBIRLSA-N 0 0 450.942 4.622 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](c3ccc(C)cc3)c3ccccn3)cc2)c1C ZINC001459792470 1067424812 /nfs/dbraw/zinc/42/48/12/1067424812.db2.gz WOHRZKJLLIVOMB-RUZDIDTESA-N 0 0 454.530 4.580 20 0 JJADRN COCCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC001459792022 1067424863 /nfs/dbraw/zinc/42/48/63/1067424863.db2.gz TYRWTLKWDOINSU-UHFFFAOYSA-N 0 0 452.576 4.864 20 0 JJADRN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001459792170 1067424915 /nfs/dbraw/zinc/42/49/15/1067424915.db2.gz MDBXLXLRLUSDNZ-CYBMUJFWSA-N 0 0 459.340 4.866 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001459791806 1067424925 /nfs/dbraw/zinc/42/49/25/1067424925.db2.gz KMZQIFCCKIVNLW-OAQYLSRUSA-N 0 0 452.414 4.934 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(Oc2nccs2)c1 ZINC001459791798 1067424966 /nfs/dbraw/zinc/42/49/66/1067424966.db2.gz KMUHTXOABBSQJA-UHFFFAOYSA-N 0 0 457.309 4.678 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@](C)(CC(C)C)c1cccc(Br)c1 ZINC001459793222 1067426009 /nfs/dbraw/zinc/42/60/09/1067426009.db2.gz UBURMZRYVBZQQR-OAQYLSRUSA-N 0 0 452.414 4.852 20 0 JJADRN C[C@@H](c1ccccc1)N(CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001459794311 1067426651 /nfs/dbraw/zinc/42/66/51/1067426651.db2.gz XCIZOZXBOPGJBF-SFHVURJKSA-N 0 0 451.954 4.586 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC001459796271 1067427561 /nfs/dbraw/zinc/42/75/61/1067427561.db2.gz YSQMBDZMXBEDPX-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN Cc1c(C(=O)OCc2cc(Br)c(Cl)c(Br)c2)nnn1C(C)C ZINC001459795681 1067427651 /nfs/dbraw/zinc/42/76/51/1067427651.db2.gz VTCDZLBPQLKAKK-UHFFFAOYSA-N 0 0 451.546 4.703 20 0 JJADRN CN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)CC1(O)CCCC1 ZINC001459796563 1067427702 /nfs/dbraw/zinc/42/77/02/1067427702.db2.gz JHFPKCAFMONMKR-UHFFFAOYSA-N 0 0 453.583 4.719 20 0 JJADRN CCC1(CC)CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)c2ccc(Br)cc21 ZINC001459797650 1067428154 /nfs/dbraw/zinc/42/81/54/1067428154.db2.gz OKJPJMOLBCXSTF-LBPRGKRZSA-N 0 0 450.402 4.515 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798452 1067428707 /nfs/dbraw/zinc/42/87/07/1067428707.db2.gz RPOSUWCSXKTAGW-SSOJOUAXSA-N 0 0 453.970 4.699 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 ZINC001459799540 1067429292 /nfs/dbraw/zinc/42/92/92/1067429292.db2.gz XKMZXMFZOCOWKS-QYSRSOONSA-N 0 0 459.826 4.837 20 0 JJADRN COC1(CNC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)CCC(C)CC1 ZINC001459800109 1067429552 /nfs/dbraw/zinc/42/95/52/1067429552.db2.gz WHWXKRZLKWIXSZ-UHFFFAOYSA-N 0 0 453.608 4.535 20 0 JJADRN COc1cc(-c2noc(CN3CCc4c(Cl)cc(Cl)cc4C3)n2)cc(OC)c1OC ZINC001459801255 1067429667 /nfs/dbraw/zinc/42/96/67/1067429667.db2.gz HUEJJEFGMRYSQE-UHFFFAOYSA-N 0 0 450.322 4.628 20 0 JJADRN CCC(CC)N(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1cccc(C)c1 ZINC001459800839 1067429736 /nfs/dbraw/zinc/42/97/36/1067429736.db2.gz GHAKKMPYNGTMEV-UHFFFAOYSA-N 0 0 457.368 4.965 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N[C@@H](C)c3cccc(OCc4ccccc4)c3)c2)o1 ZINC001459802643 1067430318 /nfs/dbraw/zinc/43/03/18/1067430318.db2.gz WVSCWOCNICNFEO-IBGZPJMESA-N 0 0 457.530 4.996 20 0 JJADRN CCOC(=O)CN(Cc1nc([C@@H](C)SCC)no1)[C@H](C)c1cccc(Br)c1 ZINC001459803227 1067430684 /nfs/dbraw/zinc/43/06/84/1067430684.db2.gz PDXLEFAVKNIJEP-ZIAGYGMSSA-N 0 0 456.406 4.773 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459804274 1067430713 /nfs/dbraw/zinc/43/07/13/1067430713.db2.gz AMBADZHPQFHANO-CQSZACIVSA-N 0 0 459.306 4.656 20 0 JJADRN CCOC(=O)CN(Cc1nc([C@H](C)SCC)no1)[C@H](C)c1cccc(Br)c1 ZINC001459803219 1067430721 /nfs/dbraw/zinc/43/07/21/1067430721.db2.gz PDXLEFAVKNIJEP-KGLIPLIRSA-N 0 0 456.406 4.773 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001459804287 1067430732 /nfs/dbraw/zinc/43/07/32/1067430732.db2.gz ANQUXTJZSPZLLC-NRFANRHFSA-N 0 0 452.427 4.907 20 0 JJADRN C[C@@H](Sc1nc(CC(=O)O[C@H](C)c2cccc(OCc3ccccc3)c2)cs1)C(N)=O ZINC001459803877 1067430754 /nfs/dbraw/zinc/43/07/54/1067430754.db2.gz NKPMKTGWUYNPDJ-HZPDHXFCSA-N 0 0 456.589 4.535 20 0 JJADRN COC[C@H](OC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1nccs1 ZINC001459805940 1067431636 /nfs/dbraw/zinc/43/16/36/1067431636.db2.gz XPQVNWZYUVIUDX-AWEZNQCLSA-N 0 0 455.355 4.582 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001459807342 1067432298 /nfs/dbraw/zinc/43/22/98/1067432298.db2.gz ZNDZSJBLNJDISZ-JYYAWHABSA-N 0 0 456.414 4.946 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cs1 ZINC001459809116 1067432780 /nfs/dbraw/zinc/43/27/80/1067432780.db2.gz IMFROYUOBATEKH-UHFFFAOYSA-N 0 0 455.605 4.900 20 0 JJADRN COc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)ccc1C(F)(F)F ZINC001459810949 1067433280 /nfs/dbraw/zinc/43/32/80/1067433280.db2.gz SYWHRYFPCNXFIY-NRFANRHFSA-N 0 0 456.420 4.909 20 0 JJADRN Cc1ccccc1C[C@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001459811226 1067433354 /nfs/dbraw/zinc/43/33/54/1067433354.db2.gz AYUALAFJLNYJGJ-NRFANRHFSA-N 0 0 451.611 4.608 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2CCC2(O)CCOCC2)C1 ZINC001546112035 1067433890 /nfs/dbraw/zinc/43/38/90/1067433890.db2.gz ADVIUBJXIQLAEA-UHFFFAOYSA-N 0 0 474.671 4.527 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812381 1067434365 /nfs/dbraw/zinc/43/43/65/1067434365.db2.gz GSNPXTQRSOBZOH-ZEQRLZLVSA-N 0 0 456.995 4.727 20 0 JJADRN CC1(C)CC(=O)c2cc(OC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)ccc2O1 ZINC001459812896 1067434445 /nfs/dbraw/zinc/43/44/45/1067434445.db2.gz SOMWFEGHPOZXFT-UHFFFAOYSA-N 0 0 450.512 4.624 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC(C)C)C1 ZINC001546112055 1067434902 /nfs/dbraw/zinc/43/49/02/1067434902.db2.gz AZDHQKINIYCCAR-BGYRXZFFSA-N 0 0 463.667 4.880 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459813660 1067434993 /nfs/dbraw/zinc/43/49/93/1067434993.db2.gz UZUBTKRSKSAIFD-QWHCGFSZSA-N 0 0 481.416 4.990 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)OCc3ncc(C(C)(C)C)s3)CC2=O)ccc1Br ZINC001459815634 1067435367 /nfs/dbraw/zinc/43/53/67/1067435367.db2.gz WWRATQFELRRCOE-CYBMUJFWSA-N 0 0 451.386 4.608 20 0 JJADRN COC(=O)[C@@H](N[C@H](C)c1ccc(OC)cc1Br)c1ccccc1Br ZINC001459819147 1067437729 /nfs/dbraw/zinc/43/77/29/1067437729.db2.gz JMNNBYLNTZEUKN-DIFFPNOSSA-N 0 0 457.162 4.785 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(S(=O)(=O)CC)cc1 ZINC001459821725 1067438823 /nfs/dbraw/zinc/43/88/23/1067438823.db2.gz RACFXQNFRWPWPT-OAQYLSRUSA-N 0 0 454.558 4.990 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546112106 1067439210 /nfs/dbraw/zinc/43/92/10/1067439210.db2.gz CXDZYQVKIFWVPA-HKBOAZHASA-N 0 0 493.693 4.522 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)c2ccc(N=S(C)(C)=O)cc2)CC1(C)C ZINC001459823105 1067439691 /nfs/dbraw/zinc/43/96/91/1067439691.db2.gz VFZNDUYSVVACSX-UHFFFAOYSA-N 0 0 450.402 4.683 20 0 JJADRN C[C@@H](NCc1nnnn1-c1ccccc1Br)c1cc(Cl)ccc1OC(F)F ZINC001459824529 1067440726 /nfs/dbraw/zinc/44/07/26/1067440726.db2.gz LURBQCAZVRZGBE-SNVBAGLBSA-N 0 0 458.694 4.530 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001546112113 1067441736 /nfs/dbraw/zinc/44/17/36/1067441736.db2.gz CZXHJYWKJBQACD-TZIWHRDSSA-N 0 0 474.671 4.647 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3cc4ccccc4nc3Br)CC2=O)cc1 ZINC001459829674 1067443251 /nfs/dbraw/zinc/44/32/51/1067443251.db2.gz QAVQHJNPHNIPQW-QGZVFWFLSA-N 0 0 452.352 4.941 20 0 JJADRN O=C(CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC001459829952 1067443289 /nfs/dbraw/zinc/44/32/89/1067443289.db2.gz GXYJVGFYYBYDBF-AWEZNQCLSA-N 0 0 458.817 4.700 20 0 JJADRN O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)c1ncccc1Br ZINC001459830525 1067443749 /nfs/dbraw/zinc/44/37/49/1067443749.db2.gz BMJRGQGZUHPAPB-NSHDSACASA-N 0 0 452.082 4.883 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC001459832123 1067444312 /nfs/dbraw/zinc/44/43/12/1067444312.db2.gz JEVBPVZAXREQRQ-UHFFFAOYSA-N 0 0 457.155 4.558 20 0 JJADRN Cc1cc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc(C)c1Br ZINC001459831954 1067444408 /nfs/dbraw/zinc/44/44/08/1067444408.db2.gz IWRXTFCBSFWAFW-UHFFFAOYSA-N 0 0 452.356 4.845 20 0 JJADRN CCS[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1)C(C)C ZINC001459832853 1067444917 /nfs/dbraw/zinc/44/49/17/1067444917.db2.gz LFKWXTVSAYZGTJ-QGZVFWFLSA-N 0 0 452.418 4.983 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n1 ZINC001459834672 1067445841 /nfs/dbraw/zinc/44/58/41/1067445841.db2.gz KIGMPSAPJYRDEO-QGZVFWFLSA-N 0 0 458.971 4.504 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001459835894 1067446475 /nfs/dbraw/zinc/44/64/75/1067446475.db2.gz YLAONPVKXVEFPM-INIZCTEOSA-N 0 0 455.805 4.817 20 0 JJADRN C/C(=C\c1cccnc1)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001459836055 1067446492 /nfs/dbraw/zinc/44/64/92/1067446492.db2.gz ZXYJBYXTVUYQKE-FYWRMAATSA-N 0 0 453.340 4.704 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(CC(F)(F)F)CC3(C)C)n2)c(C)c1 ZINC001459840818 1067448681 /nfs/dbraw/zinc/44/86/81/1067448681.db2.gz YVIVQVAFSWWXQV-UHFFFAOYSA-N 0 0 454.562 4.632 20 0 JJADRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN(C)C[C@@H]3CCCC[C@H]3O)nc2c1C ZINC001459842641 1067449607 /nfs/dbraw/zinc/44/96/07/1067449607.db2.gz UMZCAYZUARZHNA-FCHUYYIVSA-N 0 0 451.636 4.929 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001459842976 1067450147 /nfs/dbraw/zinc/45/01/47/1067450147.db2.gz KZIFVQVXDFUNMM-SFHVURJKSA-N 0 0 457.398 4.931 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC001459845112 1067451188 /nfs/dbraw/zinc/45/11/88/1067451188.db2.gz YYHQYPBVHGTHIW-HXUWFJFHSA-N 0 0 458.961 4.539 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c1C ZINC001459845231 1067451523 /nfs/dbraw/zinc/45/15/23/1067451523.db2.gz NLWNVHJTXXXFRN-UHFFFAOYSA-N 0 0 455.308 4.867 20 0 JJADRN CCOc1ccccc1OCCCC(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC001459846493 1067452087 /nfs/dbraw/zinc/45/20/87/1067452087.db2.gz VZXOOSKYDQZWNH-UHFFFAOYSA-N 0 0 450.329 4.741 20 0 JJADRN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001459847383 1067452448 /nfs/dbraw/zinc/45/24/48/1067452448.db2.gz BNJVCOHLZOUWMV-MELADBBJSA-N 0 0 457.785 4.984 20 0 JJADRN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001459847381 1067452523 /nfs/dbraw/zinc/45/25/23/1067452523.db2.gz BNJVCOHLZOUWMV-IHRRRGAJSA-N 0 0 457.785 4.984 20 0 JJADRN Cc1ccsc1CNC(=O)CN[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459847596 1067453084 /nfs/dbraw/zinc/45/30/84/1067453084.db2.gz DJVGWBVEGWOEJK-OAQYLSRUSA-N 0 0 453.608 4.682 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)COc1c(Cl)cccc1Cl ZINC001459849840 1067454987 /nfs/dbraw/zinc/45/49/87/1067454987.db2.gz LRHXREHRDQMSKE-UHFFFAOYSA-N 0 0 453.185 4.871 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001459855968 1067459328 /nfs/dbraw/zinc/45/93/28/1067459328.db2.gz KAEDVECODUIQKX-NJDAHSKKSA-N 0 0 456.533 4.983 20 0 JJADRN C[C@@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)c1ccc(Oc2cccnc2)cc1 ZINC001459856386 1067459964 /nfs/dbraw/zinc/45/99/64/1067459964.db2.gz IKBODQJEBYMENJ-OAHLLOKOSA-N 0 0 454.552 4.846 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)C2)c(C)c1 ZINC001459860035 1067460385 /nfs/dbraw/zinc/46/03/85/1067460385.db2.gz GJLBKFYPNFGBPZ-QFIPXVFZSA-N 0 0 454.636 4.886 20 0 JJADRN Cc1ccc([C@H](CN2CCOCC2)NCc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001459860932 1067461357 /nfs/dbraw/zinc/46/13/57/1067461357.db2.gz FKNSHUIMPYKGFU-NRFANRHFSA-N 0 0 456.384 4.576 20 0 JJADRN Cc1cc([C@H](OC(=O)Cc2cnn(-c3ccccc3)n2)C(F)(F)F)ccc1Br ZINC001459861669 1067461860 /nfs/dbraw/zinc/46/18/60/1067461860.db2.gz BOJIPNILIXSCJX-SFHVURJKSA-N 0 0 454.246 4.728 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863102 1067462485 /nfs/dbraw/zinc/46/24/85/1067462485.db2.gz PACDZLHSASNJGW-AOIWGVFYSA-N 0 0 458.628 4.681 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001459867394 1067464728 /nfs/dbraw/zinc/46/47/28/1067464728.db2.gz DDLJVGKUXMWVGH-HVCNVCAESA-N 0 0 450.579 4.886 20 0 JJADRN CC(C)c1sc(NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC001459866953 1067464758 /nfs/dbraw/zinc/46/47/58/1067464758.db2.gz YYJKALPZVFVQEL-INIZCTEOSA-N 0 0 457.621 4.626 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2c(C)cc(C)nc2OC)c1 ZINC001459868794 1067465668 /nfs/dbraw/zinc/46/56/68/1067465668.db2.gz PGZURPPPVPQYAK-UHFFFAOYSA-N 0 0 457.530 4.984 20 0 JJADRN CC(C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC001459869216 1067466229 /nfs/dbraw/zinc/46/62/29/1067466229.db2.gz JEORDBYMKIFBAO-LJQANCHMSA-N 0 0 451.792 4.778 20 0 JJADRN Cc1c(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cnn1-c1ccccc1F ZINC001459869089 1067466268 /nfs/dbraw/zinc/46/62/68/1067466268.db2.gz PEIWCZYAOSCTIE-UHFFFAOYSA-N 0 0 457.347 4.958 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001459870008 1067466771 /nfs/dbraw/zinc/46/67/71/1067466771.db2.gz MONXAPQFPXSFBO-MRXNPFEDSA-N 0 0 453.402 4.724 20 0 JJADRN C[C@H](NCc1cc(Cl)ccc1I)c1cccc(N2CCCC2=O)c1 ZINC001459870291 1067466805 /nfs/dbraw/zinc/46/68/05/1067466805.db2.gz ZPZVVALDRNSIFI-ZDUSSCGKSA-N 0 0 454.739 4.922 20 0 JJADRN COc1ccc(NC(=O)c2csc(-c3ccccc3C)n2)c(I)c1 ZINC001459871022 1067467301 /nfs/dbraw/zinc/46/73/01/1067467301.db2.gz KRLXMCIDQWNYPB-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001459870528 1067467368 /nfs/dbraw/zinc/46/73/68/1067467368.db2.gz NZAIKIJQKKXWJD-AWEZNQCLSA-N 0 0 455.407 4.875 20 0 JJADRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001459872604 1067467785 /nfs/dbraw/zinc/46/77/85/1067467785.db2.gz SKRHXGADOGBSQJ-MRXNPFEDSA-N 0 0 453.967 4.816 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871922 1067467877 /nfs/dbraw/zinc/46/78/77/1067467877.db2.gz CKWCHESEUFGJNQ-SFHVURJKSA-N 0 0 457.640 4.925 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001459873624 1067468905 /nfs/dbraw/zinc/46/89/05/1067468905.db2.gz XFBANLPXLMTQJH-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN COc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)n2)cc1 ZINC001459875595 1067469421 /nfs/dbraw/zinc/46/94/21/1067469421.db2.gz MDAWXRMLLVXUID-INIZCTEOSA-N 0 0 455.946 4.618 20 0 JJADRN COC1(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CCC(c2ccccc2)CC1 ZINC001459878701 1067470368 /nfs/dbraw/zinc/47/03/68/1067470368.db2.gz CLSZPLFTNPGJER-UHFFFAOYSA-N 0 0 450.623 4.963 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]3C)c2)cs1 ZINC001459881837 1067471715 /nfs/dbraw/zinc/47/17/15/1067471715.db2.gz WRMPZODFGKLGEZ-WHSLLNHNSA-N 0 0 459.612 4.794 20 0 JJADRN CN(C(=O)c1nn(C(C)(C)C)cc1Br)c1ncc2c(n1)-c1ccccc1SC2 ZINC001459881325 1067471775 /nfs/dbraw/zinc/47/17/75/1067471775.db2.gz OORVBIZOTDHODG-UHFFFAOYSA-N 0 0 458.385 4.740 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN(C)Cc3cccc(OC(C)C)c3)n2)c(OC)c1 ZINC001459882258 1067471781 /nfs/dbraw/zinc/47/17/81/1067471781.db2.gz MUHOGPBZAUXFLT-UHFFFAOYSA-N 0 0 455.580 4.685 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC=C(c3ccncc3)C2)cc1 ZINC001459881615 1067471802 /nfs/dbraw/zinc/47/18/02/1067471802.db2.gz CWPAECIWDKAVAM-UHFFFAOYSA-N 0 0 450.585 4.566 20 0 JJADRN C[C@@]1(C(=O)Nc2nc3c(cccc3Br)s2)CCCN(C(=O)c2ccccc2)C1 ZINC001459883086 1067472333 /nfs/dbraw/zinc/47/23/33/1067472333.db2.gz STFMCSIYSOKCSD-OAQYLSRUSA-N 0 0 458.381 4.940 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001546112493 1067472754 /nfs/dbraw/zinc/47/27/54/1067472754.db2.gz UDRKRMHGJXVEGT-CGXNFDGLSA-N 0 0 475.678 4.616 20 0 JJADRN CN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1)Cc1ncc[nH]1 ZINC001459886474 1067473046 /nfs/dbraw/zinc/47/30/46/1067473046.db2.gz MLCGIFCXQCVPKO-UHFFFAOYSA-N 0 0 451.983 4.852 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001546112514 1067473076 /nfs/dbraw/zinc/47/30/76/1067473076.db2.gz UUDMCHFKSZHALM-RDPSFJRHSA-N 0 0 456.631 4.943 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)Cc2coc3ccccc23)C1=O ZINC001459887361 1067473610 /nfs/dbraw/zinc/47/36/10/1067473610.db2.gz KCHDUJXGTIEKJP-LJQANCHMSA-N 0 0 455.352 4.666 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1=O ZINC001459887902 1067473679 /nfs/dbraw/zinc/47/36/79/1067473679.db2.gz NMEZIMGOPWRPGE-SFTDATJTSA-N 0 0 455.396 4.871 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cnc1Br)O[C@@H](C)C2 ZINC001459889388 1067474647 /nfs/dbraw/zinc/47/46/47/1067474647.db2.gz HOZFIVJKHHXQJS-VZJVUDMVSA-N 0 0 451.748 4.962 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)ccc12 ZINC001459889532 1067474690 /nfs/dbraw/zinc/47/46/90/1067474690.db2.gz GLPKCLQEELJFIL-MONBJTKQSA-N 0 0 454.567 4.880 20 0 JJADRN COC(=O)C1(NC[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1 ZINC001459890466 1067475319 /nfs/dbraw/zinc/47/53/19/1067475319.db2.gz CQCNPNSCPKONPA-FQEVSTJZSA-N 0 0 452.378 4.536 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001546112545 1067475716 /nfs/dbraw/zinc/47/57/16/1067475716.db2.gz VWPDQHXRHLUIJU-BVFVYWQFSA-N 0 0 475.678 4.918 20 0 JJADRN O=C(NCc1cc(F)c(F)cc1Br)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459892839 1067476310 /nfs/dbraw/zinc/47/63/10/1067476310.db2.gz BVYOJABYMBHXGE-BDJLRTHQSA-N 0 0 450.201 4.526 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c(C)c1Br ZINC001459892107 1067476331 /nfs/dbraw/zinc/47/63/31/1067476331.db2.gz AWBZXGPGMHXHEP-UHFFFAOYSA-N 0 0 453.327 4.670 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)s1 ZINC001459896689 1067478365 /nfs/dbraw/zinc/47/83/65/1067478365.db2.gz NTPFUZPCFQXHBX-VXGBXAGGSA-N 0 0 455.411 4.609 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccc(F)c(C)c1 ZINC001459899018 1067478665 /nfs/dbraw/zinc/47/86/65/1067478665.db2.gz ROGBKCLLAFQORQ-JOCHJYFZSA-N 0 0 455.555 4.625 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)NCc3cc(F)c(F)cc3Br)o2)cc1 ZINC001459900797 1067479665 /nfs/dbraw/zinc/47/96/65/1067479665.db2.gz WBKRGMBIUNOCSU-UHFFFAOYSA-N 0 0 451.267 4.640 20 0 JJADRN CCCCCCN(c1ccc(Br)cc1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC001459900927 1067480451 /nfs/dbraw/zinc/48/04/51/1067480451.db2.gz MKTDONWKQVUTPK-LJQANCHMSA-N 0 0 453.421 4.778 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001546112608 1067481774 /nfs/dbraw/zinc/48/17/74/1067481774.db2.gz XZASFIULAMTRAG-KRWDZBQOSA-N 0 0 461.701 4.818 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001546112624 1067481870 /nfs/dbraw/zinc/48/18/70/1067481870.db2.gz YGTLQXRIWMBKBS-FGZHOGPDSA-N 0 0 488.698 4.687 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC001459907554 1067483669 /nfs/dbraw/zinc/48/36/69/1067483669.db2.gz ARJVABFSMSPRPI-KRWDZBQOSA-N 0 0 455.352 4.998 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)ccc1Cl ZINC001459907434 1067483672 /nfs/dbraw/zinc/48/36/72/1067483672.db2.gz QNMQYILHEFEORR-UHFFFAOYSA-N 0 0 457.865 4.667 20 0 JJADRN Cc1ccccc1C(NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1C ZINC001459910168 1067485849 /nfs/dbraw/zinc/48/58/49/1067485849.db2.gz VMOSKNPEFYRUKZ-UHFFFAOYSA-N 0 0 456.995 4.678 20 0 JJADRN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001459911227 1067486334 /nfs/dbraw/zinc/48/63/34/1067486334.db2.gz MCRLKHNHKOEMIE-VGOFRKELSA-N 0 0 452.530 4.597 20 0 JJADRN COc1ccc(N=c2scc(CN[C@H](C)c3nnc(C)s3)n2Cc2ccccc2)cc1 ZINC001459912071 1067486766 /nfs/dbraw/zinc/48/67/66/1067486766.db2.gz YGZNFUBMYQJUHF-MRXNPFEDSA-N 0 0 451.621 4.850 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NCc2cccc(Br)c2OC(F)F)n1 ZINC001459912486 1067487351 /nfs/dbraw/zinc/48/73/51/1067487351.db2.gz SFPWATWYGMUIQD-NSHDSACASA-N 0 0 454.271 4.960 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c1Br ZINC001459915482 1067488236 /nfs/dbraw/zinc/48/82/36/1067488236.db2.gz WWLNDHZZJWKSTP-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)cn2)cc1 ZINC001459914551 1067488264 /nfs/dbraw/zinc/48/82/64/1067488264.db2.gz QHBBKBZRGWFISR-UHFFFAOYSA-N 0 0 455.440 4.705 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001459916629 1067489466 /nfs/dbraw/zinc/48/94/66/1067489466.db2.gz CDJREGLYWZXPEH-WBVHZDCISA-N 0 0 455.418 4.543 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001459918056 1067490413 /nfs/dbraw/zinc/49/04/13/1067490413.db2.gz AMRPCBLOQJEMAU-GFCCVEGCSA-N 0 0 458.274 4.958 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)nn1-c1cccc(Cl)c1 ZINC001459919771 1067491191 /nfs/dbraw/zinc/49/11/91/1067491191.db2.gz MFWUEEPWNZCAHD-UWJYYQICSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)nn1-c1cccc(Cl)c1 ZINC001459919770 1067491246 /nfs/dbraw/zinc/49/12/46/1067491246.db2.gz MFWUEEPWNZCAHD-UTKZUKDTSA-N 0 0 458.990 4.697 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459920313 1067491320 /nfs/dbraw/zinc/49/13/20/1067491320.db2.gz LNGSYXNDYJJHBZ-KURKYZTESA-N 0 0 456.505 4.722 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC001459921211 1067491830 /nfs/dbraw/zinc/49/18/30/1067491830.db2.gz NLKYWLYFPWUSTA-GDBMZVCRSA-N 0 0 457.796 4.966 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)nn1-c1cc(C)cc(C)c1 ZINC001459921304 1067492293 /nfs/dbraw/zinc/49/22/93/1067492293.db2.gz NVCKYZJARWQSPB-QFIPXVFZSA-N 0 0 452.599 4.661 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC001459921582 1067492329 /nfs/dbraw/zinc/49/23/29/1067492329.db2.gz QIAOWKDQVDSCDM-CYYVBXFOSA-N 0 0 454.489 4.848 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459923908 1067493357 /nfs/dbraw/zinc/49/33/57/1067493357.db2.gz KTJUQHFZOOQHBE-ZFWWWQNUSA-N 0 0 456.867 4.940 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)ccc1OCCC(C)C ZINC001459925071 1067493813 /nfs/dbraw/zinc/49/38/13/1067493813.db2.gz WYNHQAZYTZFYSN-HXUWFJFHSA-N 0 0 457.571 4.765 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459926135 1067494829 /nfs/dbraw/zinc/49/48/29/1067494829.db2.gz WLDYQDVQEZPIHA-ZWKOTPCHSA-N 0 0 456.505 4.722 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c(C)cc1Br ZINC001459926037 1067494913 /nfs/dbraw/zinc/49/49/13/1067494913.db2.gz QZIJBVJAZFGFNU-UHFFFAOYSA-N 0 0 452.374 4.740 20 0 JJADRN COc1ccccc1-c1nc(C2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)no1 ZINC001459931332 1067496443 /nfs/dbraw/zinc/49/64/43/1067496443.db2.gz MQKWBSSWSGQYGU-MRXNPFEDSA-N 0 0 454.958 4.914 20 0 JJADRN Cc1c2ccccc2c(=O)oc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459931786 1067496460 /nfs/dbraw/zinc/49/64/60/1067496460.db2.gz JOAMRRNBEPPICX-UHFFFAOYSA-N 0 0 450.844 4.736 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC001459931962 1067496957 /nfs/dbraw/zinc/49/69/57/1067496957.db2.gz IYHKKSPHCPHEJZ-UGSOOPFHSA-N 0 0 457.518 4.563 20 0 JJADRN Cc1ccccc1C1=NO[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001459933439 1067497412 /nfs/dbraw/zinc/49/74/12/1067497412.db2.gz NPSPOWPHIPNPFX-HXUWFJFHSA-N 0 0 451.876 4.509 20 0 JJADRN C[C@@H](C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)n1ccc(C(F)(F)F)n1 ZINC001459934032 1067497973 /nfs/dbraw/zinc/49/79/73/1067497973.db2.gz HAKMVIDZEMKKTE-QMMMGPOBSA-N 0 0 451.352 4.519 20 0 JJADRN O=C(CCc1nnc(C2CCCC2)o1)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459933847 1067498097 /nfs/dbraw/zinc/49/80/97/1067498097.db2.gz FRPGBIVNSHYOAF-UHFFFAOYSA-N 0 0 453.446 4.716 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001459937010 1067499184 /nfs/dbraw/zinc/49/91/84/1067499184.db2.gz ZVICPGNEEXHAIC-VXNXHJTFSA-N 0 0 468.642 4.615 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](C)C3)n(C2CCOCC2)n1 ZINC001459942294 1067500753 /nfs/dbraw/zinc/50/07/53/1067500753.db2.gz AJNHPGHKSMBNKF-AWEZNQCLSA-N 0 0 459.612 4.937 20 0 JJADRN CCCN(C)[C@@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942987 1067500904 /nfs/dbraw/zinc/50/09/04/1067500904.db2.gz BCWGFSLWFBDXLW-VXKWHMMOSA-N 0 0 457.080 4.611 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](C)C3)n(C2CCOCC2)n1 ZINC001459942298 1067500943 /nfs/dbraw/zinc/50/09/43/1067500943.db2.gz AJNHPGHKSMBNKF-CQSZACIVSA-N 0 0 459.612 4.937 20 0 JJADRN CCCN(C)[C@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942979 1067501139 /nfs/dbraw/zinc/50/11/39/1067501139.db2.gz BCWGFSLWFBDXLW-FGZHOGPDSA-N 0 0 457.080 4.611 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3C[C@@H](C(F)(F)F)OC[C@@H]3C)cc12 ZINC001459945077 1067501915 /nfs/dbraw/zinc/50/19/15/1067501915.db2.gz FMEBOTFDUVFCRL-GTNSWQLSSA-N 0 0 457.905 4.900 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CC4(CCC4)C3)cc2)n1 ZINC001459947054 1067502610 /nfs/dbraw/zinc/50/26/10/1067502610.db2.gz YCVJJZKSRLPOSC-UHFFFAOYSA-N 0 0 454.571 4.950 20 0 JJADRN COCCC[C@@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 ZINC001459947397 1067502635 /nfs/dbraw/zinc/50/26/35/1067502635.db2.gz UWCJXIZNWOHZJD-AWEZNQCLSA-N 0 0 454.748 4.771 20 0 JJADRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1CCCC(C)(C)C1 ZINC001459948328 1067502934 /nfs/dbraw/zinc/50/29/34/1067502934.db2.gz DGCLVWGCMWKSCZ-UHFFFAOYSA-N 0 0 453.583 4.797 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3CCCC(C)(C)C3)sc3c2CCCC3)cc1 ZINC001459951111 1067504224 /nfs/dbraw/zinc/50/42/24/1067504224.db2.gz SQBACLXJNHUZNA-UHFFFAOYSA-N 0 0 455.624 4.948 20 0 JJADRN O=C(CN1CCC(Oc2ccc(F)nc2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459951608 1067504860 /nfs/dbraw/zinc/50/48/60/1067504860.db2.gz GPVZAAGTGUUYCC-RUZDIDTESA-N 0 0 453.945 4.623 20 0 JJADRN CN(Cc1nc(-c2cccs2)no1)C(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001459951928 1067504906 /nfs/dbraw/zinc/50/49/06/1067504906.db2.gz RQFLWMJTFHFALB-UHFFFAOYSA-N 0 0 452.761 4.904 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 ZINC001459953495 1067505233 /nfs/dbraw/zinc/50/52/33/1067505233.db2.gz QVELKUYDJPEZJY-ABAIWWIYSA-N 0 0 457.353 4.814 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2cccs2)cc1 ZINC001459956471 1067506718 /nfs/dbraw/zinc/50/67/18/1067506718.db2.gz FKJVIMQAUIHHNP-JMMZKRSASA-N 0 0 455.601 4.968 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3ccc(Br)cc3s2)cc1 ZINC001459960686 1067508103 /nfs/dbraw/zinc/50/81/03/1067508103.db2.gz OVNFPCLMSDEVNX-GFCCVEGCSA-N 0 0 452.395 4.948 20 0 JJADRN CCOC(=O)[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)c2ccccc21 ZINC001459960164 1067508112 /nfs/dbraw/zinc/50/81/12/1067508112.db2.gz FUXHIQPNTKNJQY-HXUWFJFHSA-N 0 0 452.352 4.963 20 0 JJADRN CCCCC[C@H](C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)C(C)C ZINC001459960672 1067508155 /nfs/dbraw/zinc/50/81/55/1067508155.db2.gz NKHQJTDOSUTOQG-FXAWDEMLSA-N 0 0 451.405 4.983 20 0 JJADRN FC(F)(F)c1nnc(N2CCN(CCCCOc3ccccc3C(F)(F)F)CC2)s1 ZINC001459962033 1067508812 /nfs/dbraw/zinc/50/88/12/1067508812.db2.gz IUKAXEZHYGGTRE-UHFFFAOYSA-N 0 0 454.440 4.557 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)NCC3(c4ccc(Br)s4)CCC3)c2n1 ZINC001459962841 1067509225 /nfs/dbraw/zinc/50/92/25/1067509225.db2.gz AQFHUCVMUOYIRQ-UHFFFAOYSA-N 0 0 455.328 4.651 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1)C[C@@H]1CCCO1 ZINC001459972765 1067511201 /nfs/dbraw/zinc/51/12/01/1067511201.db2.gz GFLZJYYKEUFOLS-IBGZPJMESA-N 0 0 454.970 4.634 20 0 JJADRN CC(C)(CNC(=O)c1cc(Br)cc(N2CCCC2)c1)Oc1cc(F)cc(F)c1 ZINC001459971742 1067511193 /nfs/dbraw/zinc/51/11/93/1067511193.db2.gz KYVIVWJEMNEJCY-UHFFFAOYSA-N 0 0 453.327 4.915 20 0 JJADRN COC(=O)[C@](C)(NCc1cn2cc(Br)ccc2n1)c1ccc(Cl)c(Cl)c1 ZINC001459973018 1067511567 /nfs/dbraw/zinc/51/15/67/1067511567.db2.gz RKJXUXAIXQSKTH-GOSISDBHSA-N 0 0 457.155 4.582 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459976846 1067512855 /nfs/dbraw/zinc/51/28/55/1067512855.db2.gz PFQZMXKRSPLUPE-HNNXBMFYSA-N 0 0 455.318 4.995 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001459977683 1067513126 /nfs/dbraw/zinc/51/31/26/1067513126.db2.gz SIVQXGWYUCJREF-UHFFFAOYSA-N 0 0 459.365 4.966 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC001459977355 1067513193 /nfs/dbraw/zinc/51/31/93/1067513193.db2.gz XGNQCPFBPQZUTA-SUMWQHHRSA-N 0 0 458.817 4.980 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N(Cc2ccccc2Cl)CC2CC2)cc1 ZINC001459977714 1067513249 /nfs/dbraw/zinc/51/32/49/1067513249.db2.gz UFMZZWVXBFQLHE-QFIPXVFZSA-N 0 0 459.011 4.693 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001459977699 1067513283 /nfs/dbraw/zinc/51/32/83/1067513283.db2.gz SUAWWMAYGMSIIT-UEQSERJNSA-N 0 0 456.627 4.881 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001459978966 1067513919 /nfs/dbraw/zinc/51/39/19/1067513919.db2.gz HEQDQENVQWDMSO-PMACEKPBSA-N 0 0 453.583 4.534 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2nccnc2c1Br ZINC001459978710 1067514022 /nfs/dbraw/zinc/51/40/22/1067514022.db2.gz BRMVZEWTXCYWTO-UHFFFAOYSA-N 0 0 456.275 4.543 20 0 JJADRN CC[C@](NC(=O)Cc1ccc(Br)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459980658 1067514417 /nfs/dbraw/zinc/51/44/17/1067514417.db2.gz NJIGOZMDCAVCSU-LJQANCHMSA-N 0 0 459.167 4.893 20 0 JJADRN CC[C@@](NC(=O)[C@@H]1CCc2cc(Br)ccc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981492 1067514869 /nfs/dbraw/zinc/51/48/69/1067514869.db2.gz WZHRURTXUPJERO-NQIIRXRSSA-N 0 0 450.760 4.727 20 0 JJADRN COc1ccc(-c2cc3[n-]c(CN(C)C(C)(C)C[NH+]4CCCCCC4)nc(=O)c3s2)cc1 ZINC001459982934 1067515353 /nfs/dbraw/zinc/51/53/53/1067515353.db2.gz HSWRYULSTBGQJK-UHFFFAOYSA-N 0 0 454.640 4.747 20 0 JJADRN COc1c(NC(=O)c2cnc(-c3c(F)cccc3F)s2)cc(Cl)cc1C(=O)N(C)C ZINC001459985497 1067516071 /nfs/dbraw/zinc/51/60/71/1067516071.db2.gz KULMGRSWZJRYDX-UHFFFAOYSA-N 0 0 451.882 4.704 20 0 JJADRN COc1ccc([C@H](NC(=O)CN2CCc3cccc(NC(=O)OC(C)(C)C)c32)C2CC2)cc1 ZINC001459988666 1067516836 /nfs/dbraw/zinc/51/68/36/1067516836.db2.gz JQKKSCBJCWZEPM-HSZRJFAPSA-N 0 0 451.567 4.672 20 0 JJADRN COCC1(CNC(=O)c2nc(C)sc2-c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459990764 1067517560 /nfs/dbraw/zinc/51/75/60/1067517560.db2.gz TVIVCCOHAWTFRZ-UHFFFAOYSA-N 0 0 459.612 4.512 20 0 JJADRN C[C@H](OC(=O)c1nc(C(F)(F)F)n2c1CCCC2)c1cc(Br)cc2c1OCC2 ZINC001459991610 1067518124 /nfs/dbraw/zinc/51/81/24/1067518124.db2.gz LNDBHKUZVAMDAF-JTQLQIEISA-N 0 0 459.262 4.854 20 0 JJADRN CC(C)(NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(Cl)c1F ZINC001459993911 1067518421 /nfs/dbraw/zinc/51/84/21/1067518421.db2.gz GWDXPLYRXNCPAO-UHFFFAOYSA-N 0 0 453.945 4.873 20 0 JJADRN Cn1nc(I)cc1C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001459996028 1067519195 /nfs/dbraw/zinc/51/91/95/1067519195.db2.gz JODYDZRAUHUZLW-GJZGRUSLSA-N 0 0 457.743 4.524 20 0 JJADRN O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001459995811 1067519470 /nfs/dbraw/zinc/51/94/70/1067519470.db2.gz MGDTVQBZOHDLBR-ROUUACIJSA-N 0 0 456.258 4.919 20 0 JJADRN O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC001459995809 1067519562 /nfs/dbraw/zinc/51/95/62/1067519562.db2.gz MGDTVQBZOHDLBR-QZTJIDSGSA-N 0 0 456.258 4.919 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC001459996050 1067519581 /nfs/dbraw/zinc/51/95/81/1067519581.db2.gz RONNZDIEQLDHHU-KRWDZBQOSA-N 0 0 458.356 4.842 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)no1 ZINC001459995431 1067519602 /nfs/dbraw/zinc/51/96/02/1067519602.db2.gz QFHLDLMIAXCXCM-UHFFFAOYSA-N 0 0 451.470 4.884 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459996604 1067519784 /nfs/dbraw/zinc/51/97/84/1067519784.db2.gz SINSRUSIEDMMDJ-PGRDOPGGSA-N 0 0 456.505 4.623 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC001459997856 1067520238 /nfs/dbraw/zinc/52/02/38/1067520238.db2.gz SUMUSDMYXPBMTO-LBPRGKRZSA-N 0 0 459.930 4.680 20 0 JJADRN COCc1nc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)sc1C(=O)OC ZINC001459997955 1067520320 /nfs/dbraw/zinc/52/03/20/1067520320.db2.gz UGSJPVQKXGVZEP-UHFFFAOYSA-N 0 0 454.476 4.658 20 0 JJADRN Cc1ccc(OCCC(=O)Nc2ccc(F)cc2OC2CCOCC2)c(Br)c1 ZINC001459999013 1067520581 /nfs/dbraw/zinc/52/05/81/1067520581.db2.gz TVMURXRFIVGERS-UHFFFAOYSA-N 0 0 452.320 4.862 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)c1C ZINC001459999027 1067520625 /nfs/dbraw/zinc/52/06/25/1067520625.db2.gz QYBKHMRHEBMWTL-FQEVSTJZSA-N 0 0 451.336 4.633 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001459999071 1067521025 /nfs/dbraw/zinc/52/10/25/1067521025.db2.gz YHSNLVHUVHTYMW-UHFFFAOYSA-N 0 0 453.461 4.571 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC001459999696 1067521059 /nfs/dbraw/zinc/52/10/59/1067521059.db2.gz XBYWXRVHPDMCHZ-UHFFFAOYSA-N 0 0 450.951 4.765 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001459999412 1067521070 /nfs/dbraw/zinc/52/10/70/1067521070.db2.gz VDYQILHRJYZJBR-NRFANRHFSA-N 0 0 452.599 4.798 20 0 JJADRN O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001459999352 1067521128 /nfs/dbraw/zinc/52/11/28/1067521128.db2.gz ULQHVMWQTJYGCU-SFHVURJKSA-N 0 0 454.811 4.840 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001460000757 1067521604 /nfs/dbraw/zinc/52/16/04/1067521604.db2.gz ZDQWBZUJNNGWRZ-LJQANCHMSA-N 0 0 458.990 4.535 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccn2)c(Cl)cc1Cl ZINC001460002730 1067522294 /nfs/dbraw/zinc/52/22/94/1067522294.db2.gz PDLCIEWMAFTLHT-SNVBAGLBSA-N 0 0 450.775 4.761 20 0 JJADRN FC(F)(F)c1cc([C@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)cc(C(F)(F)F)c1 ZINC001460002311 1067522415 /nfs/dbraw/zinc/52/24/15/1067522415.db2.gz NPALAEYDPDOBOI-GOSISDBHSA-N 0 0 456.390 4.878 20 0 JJADRN O=C(Nc1cc(Br)ccn1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001460004034 1067523225 /nfs/dbraw/zinc/52/32/25/1067523225.db2.gz GBCPLCJYVBDLJJ-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN O=C(OCc1cn(-c2ccccc2Br)nn1)c1ncccc1Oc1ccccc1 ZINC001460004464 1067523270 /nfs/dbraw/zinc/52/32/70/1067523270.db2.gz HKCJVBUYTZBGBF-UHFFFAOYSA-N 0 0 451.280 4.574 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460006324 1067523923 /nfs/dbraw/zinc/52/39/23/1067523923.db2.gz NLWREAFPKLAABA-NSHDSACASA-N 0 0 452.903 4.986 20 0 JJADRN C[C@]12CCN(C(=O)c3cnnn3-c3cc(C(F)(F)F)ccc3Cl)C[C@H]1C2(Cl)Cl ZINC001460006479 1067523950 /nfs/dbraw/zinc/52/39/50/1067523950.db2.gz ROQXXUROMBXWTJ-HIFRSBDPSA-N 0 0 453.679 4.595 20 0 JJADRN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460006936 1067524300 /nfs/dbraw/zinc/52/43/00/1067524300.db2.gz PKEZQRNYHOTWFP-NSHDSACASA-N 0 0 451.919 4.559 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2ccnc(Oc3ccccc3)c2)cc(C(F)(F)F)c1 ZINC001460006706 1067524323 /nfs/dbraw/zinc/52/43/23/1067524323.db2.gz PWKLXQXDZADEIG-UHFFFAOYSA-N 0 0 451.422 4.653 20 0 JJADRN O=C(CN1CCCc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001460009233 1067525512 /nfs/dbraw/zinc/52/55/12/1067525512.db2.gz XEDFGFJBHAKOIJ-UHFFFAOYSA-N 0 0 458.942 4.703 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010093 1067525958 /nfs/dbraw/zinc/52/59/58/1067525958.db2.gz ZIAWJOHPFRYZGV-OAQYLSRUSA-N 0 0 450.377 4.841 20 0 JJADRN COCC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001460011726 1067526476 /nfs/dbraw/zinc/52/64/76/1067526476.db2.gz QGEIOMDPGBRNJU-GOSISDBHSA-N 0 0 456.757 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ncc(Br)s2)[C@H](c2cccc(F)c2)C1 ZINC001460012300 1067526709 /nfs/dbraw/zinc/52/67/09/1067526709.db2.gz XEMKJBXFNLDCIK-HNNXBMFYSA-N 0 0 456.381 4.839 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1c(Cl)nn(C)c1Cl)c1ccc(Cl)cc1 ZINC001460013255 1067527112 /nfs/dbraw/zinc/52/71/12/1067527112.db2.gz HAMISVFKRAYFOM-LBPRGKRZSA-N 0 0 457.711 4.736 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nn1 ZINC001460013886 1067527142 /nfs/dbraw/zinc/52/71/42/1067527142.db2.gz KQFZPRYZLWLEQD-QFIPXVFZSA-N 0 0 458.484 4.746 20 0 JJADRN CC(=O)Nc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 ZINC001460013099 1067527248 /nfs/dbraw/zinc/52/72/48/1067527248.db2.gz DVMCJIBODATPSE-HXUWFJFHSA-N 0 0 455.908 4.583 20 0 JJADRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)C1=O ZINC001460017226 1067528803 /nfs/dbraw/zinc/52/88/03/1067528803.db2.gz FIBVOKUUEIOPEN-FQEVSTJZSA-N 0 0 451.832 4.836 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017362 1067529271 /nfs/dbraw/zinc/52/92/71/1067529271.db2.gz WUXYXSONPUIAFD-IBGZPJMESA-N 0 0 454.924 4.691 20 0 JJADRN Cc1ccc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c(Br)c1 ZINC001460016497 1067529317 /nfs/dbraw/zinc/52/93/17/1067529317.db2.gz KIWNPOUCDPRDFK-UHFFFAOYSA-N 0 0 450.178 4.733 20 0 JJADRN C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)C1=O ZINC001460017233 1067529346 /nfs/dbraw/zinc/52/93/46/1067529346.db2.gz FIBVOKUUEIOPEN-HXUWFJFHSA-N 0 0 451.832 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1c1ccccc1 ZINC001460019973 1067530598 /nfs/dbraw/zinc/53/05/98/1067530598.db2.gz VQBHFMCXRMQIGV-QNWVGRARSA-N 0 0 455.986 4.826 20 0 JJADRN COc1cnc(NC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)s1 ZINC001460019622 1067530674 /nfs/dbraw/zinc/53/06/74/1067530674.db2.gz SWRKICLZKXUHPS-UHFFFAOYSA-N 0 0 457.577 4.524 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)C/C=C\c3ccc(Br)cc3)c2C)C1=O ZINC001460020440 1067531080 /nfs/dbraw/zinc/53/10/80/1067531080.db2.gz DEOWPJDNIZKKIX-HYXAFXHYSA-N 0 0 456.340 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nc2C(F)(F)F)[C@H](c2cccnc2)C1 ZINC001460021659 1067531528 /nfs/dbraw/zinc/53/15/28/1067531528.db2.gz BWUFOAYXLGCNIZ-INIZCTEOSA-N 0 0 456.896 4.943 20 0 JJADRN COC[C@H]([NH2+]Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1ccc(Cl)cc1 ZINC001460022821 1067531990 /nfs/dbraw/zinc/53/19/90/1067531990.db2.gz BBCIYTSDIGUKNX-IBGZPJMESA-N 0 0 455.967 4.791 20 0 JJADRN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001460030157 1067533947 /nfs/dbraw/zinc/53/39/47/1067533947.db2.gz VPJUKHPUBVZNAE-GOSISDBHSA-N 0 0 453.583 4.593 20 0 JJADRN Cc1ccc(CN(CCCn2c(=O)[nH]c3ccccc32)C[C@H]2CCCO2)c(Br)c1 ZINC001460031981 1067534356 /nfs/dbraw/zinc/53/43/56/1067534356.db2.gz DKZXCCQOBPATQO-LJQANCHMSA-N 0 0 458.400 4.884 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 ZINC001460031623 1067534489 /nfs/dbraw/zinc/53/44/89/1067534489.db2.gz GUNPZBCJXLPXEB-UHFFFAOYSA-N 0 0 451.567 4.854 20 0 JJADRN O=C(CN1C[C@H](c2ccccc2)c2ccccc21)Nc1ccc(I)cc1 ZINC001460031979 1067534498 /nfs/dbraw/zinc/53/44/98/1067534498.db2.gz DKYMVKXZFUIFOK-HXUWFJFHSA-N 0 0 454.311 4.882 20 0 JJADRN Cc1cc(CNC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460033453 1067534807 /nfs/dbraw/zinc/53/48/07/1067534807.db2.gz MISLJBYQDBOFQK-HSZRJFAPSA-N 0 0 454.567 4.895 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460034841 1067535283 /nfs/dbraw/zinc/53/52/83/1067535283.db2.gz ZBHXXBVOSYBTGT-UHFFFAOYSA-N 0 0 451.498 4.562 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001460033688 1067535340 /nfs/dbraw/zinc/53/53/40/1067535340.db2.gz YSVDNHVQVKKZPH-RUZDIDTESA-N 0 0 452.570 4.873 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(Cl)ccc1I ZINC001460034323 1067535404 /nfs/dbraw/zinc/53/54/04/1067535404.db2.gz ZXAVTJVCABJRSC-ROUUACIJSA-N 0 0 455.723 4.823 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCc2ccc(Br)cc2C1 ZINC001460036473 1067535670 /nfs/dbraw/zinc/53/56/70/1067535670.db2.gz YJVAJDBWHZYOHD-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC001460036347 1067535797 /nfs/dbraw/zinc/53/57/97/1067535797.db2.gz XPFAZZFXLNZCTB-NFBKMPQASA-N 0 0 455.558 4.793 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460038553 1067536111 /nfs/dbraw/zinc/53/61/11/1067536111.db2.gz MOTMVTNHYJWTEM-OAQYLSRUSA-N 0 0 456.949 4.721 20 0 JJADRN C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460040838 1067536462 /nfs/dbraw/zinc/53/64/62/1067536462.db2.gz SPZDJCOQFUNGIG-WAIKUNEKSA-N 0 0 456.512 4.768 20 0 JJADRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2nc(-c3cccc(Cl)c3Cl)cs2)cn1 ZINC001460042015 1067537002 /nfs/dbraw/zinc/53/70/02/1067537002.db2.gz YCYQBYXRBBCBDW-UULLZXFKSA-N 0 0 455.436 4.639 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c(Cl)nccc34)c2)C1 ZINC001460045896 1067537975 /nfs/dbraw/zinc/53/79/75/1067537975.db2.gz YTOFSKLXTVTVAQ-HZPDHXFCSA-N 0 0 457.983 4.807 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCOc2c(Br)cccc2C1 ZINC001460047990 1067538748 /nfs/dbraw/zinc/53/87/48/1067538748.db2.gz FBLXBFLPWZEKIU-ZDUSSCGKSA-N 0 0 453.764 4.641 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C3)cc1 ZINC001460047793 1067538874 /nfs/dbraw/zinc/53/88/74/1067538874.db2.gz XAJPLGPZXKPAHE-KRWDZBQOSA-N 0 0 453.384 4.637 20 0 JJADRN O=C(OCc1cnc(CCc2ccccc2)s1)c1cnc2ncc(Br)cc2c1 ZINC001460049915 1067539261 /nfs/dbraw/zinc/53/92/61/1067539261.db2.gz BNDLSDJJDDEKKS-UHFFFAOYSA-N 0 0 454.349 4.991 20 0 JJADRN Cc1c(C(=O)N2CCCc3c(F)c(F)c(F)cc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001460051812 1067539689 /nfs/dbraw/zinc/53/96/89/1067539689.db2.gz HCGLITNOZZCVJT-UHFFFAOYSA-N 0 0 454.374 4.664 20 0 JJADRN Cc1ccc([C@H](NCC(=O)NCc2ccc(COc3ccccc3)cc2)c2ccccn2)cc1 ZINC001460053250 1067540246 /nfs/dbraw/zinc/54/02/46/1067540246.db2.gz GUXZYHSQRSRZHL-LJAQVGFWSA-N 0 0 451.570 4.964 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)n1 ZINC001460056136 1067540668 /nfs/dbraw/zinc/54/06/68/1067540668.db2.gz RAJJZUQRDUEDAP-JLHGSKIFSA-N 0 0 451.592 4.876 20 0 JJADRN COC(=O)c1cc(Br)c(CN[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1OC ZINC001460059226 1067541879 /nfs/dbraw/zinc/54/18/79/1067541879.db2.gz JRDFIWGFQRUKSM-INIZCTEOSA-N 0 0 450.226 4.777 20 0 JJADRN Cc1cc(F)c(COC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1F ZINC001460058808 1067541950 /nfs/dbraw/zinc/54/19/50/1067541950.db2.gz SFBMMIVNBXPGIS-UHFFFAOYSA-N 0 0 452.486 4.751 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H](C)c1ccc(F)c(I)c1 ZINC001460061220 1067542471 /nfs/dbraw/zinc/54/24/71/1067542471.db2.gz JNMXVHPUGRRRBN-JTQLQIEISA-N 0 0 455.223 4.834 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)O[C@H](C)c1ccc(F)c(I)c1 ZINC001460061221 1067542503 /nfs/dbraw/zinc/54/25/03/1067542503.db2.gz JNMXVHPUGRRRBN-SNVBAGLBSA-N 0 0 455.223 4.834 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC001460062396 1067542951 /nfs/dbraw/zinc/54/29/51/1067542951.db2.gz OVRMPHWWNYJFQA-AWEZNQCLSA-N 0 0 452.511 4.571 20 0 JJADRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)Cc3cccc(OCc4ccccc4C)c3)c2)C1=O ZINC001460063616 1067543296 /nfs/dbraw/zinc/54/32/96/1067543296.db2.gz UJUOVSYFSHHWBQ-DEOSSOPVSA-N 0 0 457.530 4.590 20 0 JJADRN C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccc(F)c(I)c1 ZINC001460064322 1067543707 /nfs/dbraw/zinc/54/37/07/1067543707.db2.gz ZWOFZHIPRWHXPV-ZJUUUORDSA-N 0 0 450.194 4.780 20 0 JJADRN Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1N1C(=O)N[C@H](C)C1=O ZINC001460064120 1067543718 /nfs/dbraw/zinc/54/37/18/1067543718.db2.gz XRTXCOFHUVUGII-SNVBAGLBSA-N 0 0 459.346 4.730 20 0 JJADRN CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001460065477 1067543967 /nfs/dbraw/zinc/54/39/67/1067543967.db2.gz GIPCLUWXTRZYKO-MKYQLBPBSA-N 0 0 458.451 4.864 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066831 1067544139 /nfs/dbraw/zinc/54/41/39/1067544139.db2.gz TYMARJLKXBEGHJ-HOKHCIIBSA-N 0 0 454.636 4.640 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460067166 1067544569 /nfs/dbraw/zinc/54/45/69/1067544569.db2.gz BMZDHWLMGLLWSY-HOTGVXAUSA-N 0 0 452.860 4.615 20 0 JJADRN Cn1c(CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067054 1067544625 /nfs/dbraw/zinc/54/46/25/1067544625.db2.gz CZLCFGDIZJGXFB-INIZCTEOSA-N 0 0 451.409 4.605 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460069107 1067545114 /nfs/dbraw/zinc/54/51/14/1067545114.db2.gz JEMXMSMZNHGBLV-JOCHJYFZSA-N 0 0 458.647 4.775 20 0 JJADRN CN(C)C(=O)OC[C@H]1CCCCN1CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460067935 1067545150 /nfs/dbraw/zinc/54/51/50/1067545150.db2.gz DCGWBMDQTIOXDU-SNVBAGLBSA-N 0 0 457.185 4.791 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068247 1067545268 /nfs/dbraw/zinc/54/52/68/1067545268.db2.gz KTDQSXGEJCGDCB-GOSISDBHSA-N 0 0 450.377 4.937 20 0 JJADRN CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCCC[C@H]1OC ZINC001460071161 1067545974 /nfs/dbraw/zinc/54/59/74/1067545974.db2.gz VGJHOMAGPTZOPU-DNQXCXABSA-N 0 0 458.624 4.712 20 0 JJADRN CCc1cc(Oc2ccc(F)cc2CN2CCN(S(=O)(=O)CC)C[C@H]2C)ccc1Cl ZINC001460074065 1067547276 /nfs/dbraw/zinc/54/72/76/1067547276.db2.gz WASQQRBASHVQCU-MRXNPFEDSA-N 0 0 454.995 4.690 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)n2CC ZINC001460079615 1067548588 /nfs/dbraw/zinc/54/85/88/1067548588.db2.gz BYTPGPTZIDTWOX-GOSISDBHSA-N 0 0 450.366 4.753 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(O)CCC2)CCS1 ZINC001546113721 1067548983 /nfs/dbraw/zinc/54/89/83/1067548983.db2.gz IXPVPIBNCDOFRD-SFHVURJKSA-N 0 0 462.635 4.974 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccoc2)CCS1 ZINC001546113726 1067548995 /nfs/dbraw/zinc/54/89/95/1067548995.db2.gz JBROAUXUNQPXSP-UHFFFAOYSA-N 0 0 453.612 4.901 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN3CCC34CCN(C(=O)OC(C)(C)C)CC4)cs2)c1 ZINC001460083171 1067549296 /nfs/dbraw/zinc/54/92/96/1067549296.db2.gz UPHDKSGJGXEHNN-UHFFFAOYSA-N 0 0 457.596 4.572 20 0 JJADRN CC(C)CN(CC(=O)NCc1ccccc1CN1CCCC1=O)[C@@H](C)c1ccccc1Cl ZINC001460087725 1067550688 /nfs/dbraw/zinc/55/06/88/1067550688.db2.gz CHXIZDKJQBFABI-FQEVSTJZSA-N 0 0 456.030 4.798 20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089048 1067551465 /nfs/dbraw/zinc/55/14/65/1067551465.db2.gz JADZQNSXUHIESF-SANMLTNESA-N 0 0 458.537 4.598 20 0 JJADRN CC[C@@](NCC(=O)Nc1ccccc1Cc1ccccc1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460089548 1067551827 /nfs/dbraw/zinc/55/18/27/1067551827.db2.gz ISCXIHGSTRUZDI-SANMLTNESA-N 0 0 450.966 4.937 20 0 JJADRN O=C(CCN1C(=O)COc2ccccc21)NC1(c2ccccc2Br)CCCCC1 ZINC001460090829 1067552124 /nfs/dbraw/zinc/55/21/24/1067552124.db2.gz ABBDVAGPEZOSKC-UHFFFAOYSA-N 0 0 457.368 4.540 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 ZINC001460091247 1067552329 /nfs/dbraw/zinc/55/23/29/1067552329.db2.gz UKENEURPQDMROH-IBGZPJMESA-N 0 0 450.992 4.582 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001460092593 1067552531 /nfs/dbraw/zinc/55/25/31/1067552531.db2.gz IVWBDEVMYXDAHP-GOSISDBHSA-N 0 0 453.446 4.816 20 0 JJADRN Cc1ccc(-c2csc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3nccn3C)n2)cc1 ZINC001460093648 1067552701 /nfs/dbraw/zinc/55/27/01/1067552701.db2.gz IRCYDEJBTJKEMJ-HXUWFJFHSA-N 0 0 453.612 4.646 20 0 JJADRN CO[C@@H]([C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001460097434 1067554392 /nfs/dbraw/zinc/55/43/92/1067554392.db2.gz MYTZEDOKVQRVIE-NYHFZMIOSA-N 0 0 454.368 4.845 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)c1cccs1 ZINC001460111643 1067557327 /nfs/dbraw/zinc/55/73/27/1067557327.db2.gz KVWHYNPHLCCCRG-CQSZACIVSA-N 0 0 452.761 4.918 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(Cc2cccc(Cl)c2Br)CC1 ZINC001460113381 1067557608 /nfs/dbraw/zinc/55/76/08/1067557608.db2.gz IXJQIDPTQRBVSX-MJGOQNOKSA-N 0 0 473.839 4.997 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001460112784 1067557750 /nfs/dbraw/zinc/55/77/50/1067557750.db2.gz MRPYQRJYRFGUHA-CQSZACIVSA-N 0 0 456.793 4.681 20 0 JJADRN O=C(Nc1c(F)cccc1C(=O)OCc1ccccc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001460114124 1067557888 /nfs/dbraw/zinc/55/78/88/1067557888.db2.gz HAUFVHXEUASIQZ-OAQYLSRUSA-N 0 0 454.404 4.593 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3cc(N(C)C)c(Br)cn3)c(C(C)(C)C)n2)cc1 ZINC001460119765 1067558968 /nfs/dbraw/zinc/55/89/68/1067558968.db2.gz PVCFWEULJWWJOD-UHFFFAOYSA-N 0 0 456.388 4.954 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@@H]2C)CCS1 ZINC001546114007 1067559041 /nfs/dbraw/zinc/55/90/41/1067559041.db2.gz RWZYGKHUKFBVBX-UZINWLIJSA-N 0 0 488.698 4.687 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001460122779 1067559802 /nfs/dbraw/zinc/55/98/02/1067559802.db2.gz LRPHWCBLDYFHTR-BGFJZZDESA-N 0 0 457.279 4.734 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001460126221 1067560579 /nfs/dbraw/zinc/56/05/79/1067560579.db2.gz BFZFOTPGOAKIID-DZGCQCFKSA-N 0 0 457.361 4.584 20 0 JJADRN Cc1cccc(-n2cnc3cc(C(=O)Nc4cc(N(C)C)c(Br)cn4)ccc32)c1 ZINC001460125990 1067560587 /nfs/dbraw/zinc/56/05/87/1067560587.db2.gz UGVOKECTBNPYMU-UHFFFAOYSA-N 0 0 450.340 4.810 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN[C@@H]3C[C@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128748 1067560861 /nfs/dbraw/zinc/56/08/61/1067560861.db2.gz YIAIUCGPUCNFIR-RTWAWAEBSA-N 0 0 450.608 4.826 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC001460132831 1067561195 /nfs/dbraw/zinc/56/11/95/1067561195.db2.gz QZAZFURTCCOEGE-GOSISDBHSA-N 0 0 456.970 4.504 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCOc3ccccc32)CCS1 ZINC001546114079 1067561645 /nfs/dbraw/zinc/56/16/45/1067561645.db2.gz VAHFNGFXFQSHHC-UXHICEINSA-N 0 0 474.671 4.680 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135161 1067561976 /nfs/dbraw/zinc/56/19/76/1067561976.db2.gz MPSVURDGCROPFU-AQNXPRMDSA-N 0 0 453.530 4.972 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001460137029 1067562294 /nfs/dbraw/zinc/56/22/94/1067562294.db2.gz HACAFADTYLTKNA-FQEVSTJZSA-N 0 0 457.299 4.989 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)N(CC)C[C@H](C)OC)sc2c1CCCC2 ZINC001460137199 1067562300 /nfs/dbraw/zinc/56/23/00/1067562300.db2.gz GFLCURKXHBFSKJ-JTSKRJEESA-N 0 0 458.624 4.840 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1ccc(SC)c(OC)c1 ZINC001460136648 1067562501 /nfs/dbraw/zinc/56/25/01/1067562501.db2.gz REQLWAQRTYRKGC-LJQANCHMSA-N 0 0 454.386 4.534 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3Cc4cccc(C)c4CC3(C)C)n2)c1 ZINC001460139296 1067563211 /nfs/dbraw/zinc/56/32/11/1067563211.db2.gz KPBNMPGZJJLVDK-UHFFFAOYSA-N 0 0 451.592 4.911 20 0 JJADRN CCn1cc(N(CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC(C)C)cn1 ZINC001460139299 1067563245 /nfs/dbraw/zinc/56/32/45/1067563245.db2.gz FQOIDJBIPWEJBA-UHFFFAOYSA-N 0 0 451.640 4.934 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)CCS1 ZINC001546114156 1067563471 /nfs/dbraw/zinc/56/34/71/1067563471.db2.gz XEJXMFAQCNCEKI-GOSISDBHSA-N 0 0 491.677 4.832 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142280 1067563501 /nfs/dbraw/zinc/56/35/01/1067563501.db2.gz BCXBKZKMMOQOLG-SQNIBIBYSA-N 0 0 455.624 4.651 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001460144741 1067564244 /nfs/dbraw/zinc/56/42/44/1067564244.db2.gz MYCHJOZKRJJEQR-UHFFFAOYSA-N 0 0 452.555 4.877 20 0 JJADRN COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)N[C@@H](C)C(=O)OC(C)C)cc2c1 ZINC001460144606 1067564253 /nfs/dbraw/zinc/56/42/53/1067564253.db2.gz LKOAESHSNQJBGI-SFHVURJKSA-N 0 0 457.530 4.771 20 0 JJADRN CCSCc1ccc(NC(=O)c2cc(OC)c(OC)cc2I)cc1 ZINC001460146503 1067564551 /nfs/dbraw/zinc/56/45/51/1067564551.db2.gz YPALMQNKSSVXFN-UHFFFAOYSA-N 0 0 457.333 4.814 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001460145804 1067564681 /nfs/dbraw/zinc/56/46/81/1067564681.db2.gz SEAJRLRABXRPHO-UHFFFAOYSA-N 0 0 452.536 4.672 20 0 JJADRN C[C@H](c1ccccc1)N(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)Cc1ccccc1 ZINC001460148679 1067565294 /nfs/dbraw/zinc/56/52/94/1067565294.db2.gz CWJDYHBQAIQXSI-GOSISDBHSA-N 0 0 456.995 4.945 20 0 JJADRN COc1ccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c(S(C)(=O)=O)c1 ZINC001460152752 1067566155 /nfs/dbraw/zinc/56/61/55/1067566155.db2.gz JESKEXRRPGALAU-UHFFFAOYSA-N 0 0 453.488 4.681 20 0 JJADRN Fc1cc(Br)ccc1CN(Cc1nc(CC(F)(F)F)no1)Cc1ccccn1 ZINC001460155789 1067566394 /nfs/dbraw/zinc/56/63/94/1067566394.db2.gz BIOJBYWCBMTEKU-UHFFFAOYSA-N 0 0 459.241 4.673 20 0 JJADRN CC(C)(CO)[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccnc1 ZINC001460158013 1067566838 /nfs/dbraw/zinc/56/68/38/1067566838.db2.gz BDQXVVXJEUOMKF-FQEVSTJZSA-N 0 0 454.983 4.962 20 0 JJADRN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001460164337 1067568011 /nfs/dbraw/zinc/56/80/11/1067568011.db2.gz NZBBGDGKTBXUIU-QUCCMNQESA-N 0 0 454.324 4.682 20 0 JJADRN C[C@@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(Br)cc1OCCCO ZINC001460169549 1067569171 /nfs/dbraw/zinc/56/91/71/1067569171.db2.gz AKVCUSMERFTIPR-MRXNPFEDSA-N 0 0 457.368 4.653 20 0 JJADRN Cc1ccccc1Cc1noc(CN(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)n1 ZINC001460173014 1067570253 /nfs/dbraw/zinc/57/02/53/1067570253.db2.gz BHDDTMPLMSGJCB-IBGZPJMESA-N 0 0 453.892 4.590 20 0 JJADRN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174323 1067570470 /nfs/dbraw/zinc/57/04/70/1067570470.db2.gz WJKWTDBXKWYJCZ-IIBYNOLFSA-N 0 0 455.352 4.892 20 0 JJADRN C[C@H](NCc1cc2c(cc1Br)OCCCO2)c1ccc(N2CCCCC2=O)cc1 ZINC001460175179 1067571057 /nfs/dbraw/zinc/57/10/57/1067571057.db2.gz YUBGHWBMRAXTIU-INIZCTEOSA-N 0 0 459.384 4.978 20 0 JJADRN CC(=O)N(c1nc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)cs1)c1ccc(C)cc1 ZINC001460178838 1067571959 /nfs/dbraw/zinc/57/19/59/1067571959.db2.gz MBPWSQCQXLMOGC-UHFFFAOYSA-N 0 0 452.555 4.539 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N(c1ccc(Br)cc1)C1CC1 ZINC001460180450 1067572410 /nfs/dbraw/zinc/57/24/10/1067572410.db2.gz MVLFTULQKHKNFY-NTMALXAHSA-N 0 0 458.093 4.856 20 0 JJADRN Cc1csc([C@H](NCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C(F)(F)F)n1 ZINC001460181350 1067572779 /nfs/dbraw/zinc/57/27/79/1067572779.db2.gz PSMHSFFQSVMIMG-SFHVURJKSA-N 0 0 452.527 4.666 20 0 JJADRN OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(I)c(Cl)c2)C1 ZINC001460182531 1067573406 /nfs/dbraw/zinc/57/34/06/1067573406.db2.gz RODCJBYKECTLMJ-HXUWFJFHSA-N 0 0 455.767 4.762 20 0 JJADRN COC[C@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccc(Cl)cc1 ZINC001460184420 1067574247 /nfs/dbraw/zinc/57/42/47/1067574247.db2.gz CJAYHOBEXPRTFC-VAXXYWNWSA-N 0 0 451.007 4.756 20 0 JJADRN O=C(CN1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21)NCCC1CCCCC1 ZINC001460186136 1067574286 /nfs/dbraw/zinc/57/42/86/1067574286.db2.gz FKRJZHKKGDFZBI-KRWDZBQOSA-N 0 0 452.412 4.854 20 0 JJADRN COC[C@H](CNC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1 ZINC001460187149 1067574565 /nfs/dbraw/zinc/57/45/65/1067574565.db2.gz KSJVNNOXRMHIOD-HNNXBMFYSA-N 0 0 452.776 4.689 20 0 JJADRN COc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1F ZINC001460186874 1067574596 /nfs/dbraw/zinc/57/45/96/1067574596.db2.gz IMEMQIYZYKYSFI-OAHLLOKOSA-N 0 0 459.276 4.532 20 0 JJADRN OC[C@]1(Cc2ccc(F)cc2)CCN(Cc2ccc(I)c(Cl)c2)C1 ZINC001460189392 1067574874 /nfs/dbraw/zinc/57/48/74/1067574874.db2.gz YGCCKOIICUUMHJ-IBGZPJMESA-N 0 0 459.730 4.511 20 0 JJADRN COC(=O)c1ccc(CN2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)c(F)c1 ZINC001460187458 1067575021 /nfs/dbraw/zinc/57/50/21/1067575021.db2.gz JGIOTZPNCBYXKG-OAHLLOKOSA-N 0 0 451.311 4.893 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1Br ZINC001460191014 1067575257 /nfs/dbraw/zinc/57/52/57/1067575257.db2.gz SQSVPQXJYGSKTP-UHFFFAOYSA-N 0 0 451.169 4.867 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460191456 1067575403 /nfs/dbraw/zinc/57/54/03/1067575403.db2.gz XJRNMAOCOFWLRP-PGRDOPGGSA-N 0 0 457.398 4.931 20 0 JJADRN COCCOC1(CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CCOCC1 ZINC001460194592 1067576060 /nfs/dbraw/zinc/57/60/60/1067576060.db2.gz NVMVMYOKBZUDRQ-UHFFFAOYSA-N 0 0 453.963 4.572 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193459 1067576113 /nfs/dbraw/zinc/57/61/13/1067576113.db2.gz IWYQKFVAXFMKNL-KBPBESRZSA-N 0 0 454.771 4.779 20 0 JJADRN COC(=O)C[C@](C)(NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC)c1 ZINC001460199969 1067577574 /nfs/dbraw/zinc/57/75/74/1067577574.db2.gz UEWQSNSUUDUHON-FQEVSTJZSA-N 0 0 459.757 4.662 20 0 JJADRN COC(=O)C[C@@](C)(NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(OC)c1 ZINC001460199971 1067577661 /nfs/dbraw/zinc/57/76/61/1067577661.db2.gz UEWQSNSUUDUHON-HXUWFJFHSA-N 0 0 459.757 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC001460200785 1067577995 /nfs/dbraw/zinc/57/79/95/1067577995.db2.gz WFQAAUGTYQKGOH-MRXNPFEDSA-N 0 0 456.414 4.901 20 0 JJADRN CC(C)c1sc(NC(=O)CN2CCCC[C@H]2COC(=O)NC2CC2)nc1-c1ccccc1 ZINC001460204527 1067578604 /nfs/dbraw/zinc/57/86/04/1067578604.db2.gz OWSDZLHXMINZCA-IBGZPJMESA-N 0 0 456.612 4.615 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)NC[C@H]1CCCC1(F)F ZINC001460205135 1067578624 /nfs/dbraw/zinc/57/86/24/1067578624.db2.gz VABSVDUIIVZNGS-CYBMUJFWSA-N 0 0 452.914 4.824 20 0 JJADRN CCc1ccc(N(CC2CC2)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC001460206729 1067578879 /nfs/dbraw/zinc/57/88/79/1067578879.db2.gz NZRZGCZSQPWQCR-WOJBJXKFSA-N 0 0 454.636 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207305 1067579348 /nfs/dbraw/zinc/57/93/48/1067579348.db2.gz DRTXLNFPAFVLNI-IFMALSPDSA-N 0 0 459.631 4.928 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CCCO2)CCS1 ZINC001546114642 1067579385 /nfs/dbraw/zinc/57/93/85/1067579385.db2.gz APMUETZJNZDHLJ-QHCPKHFHSA-N 0 0 460.644 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCOc2ccc(F)c(Cl)c2)CC[C@@H]2CCCC[C@@H]21 ZINC001460208763 1067579792 /nfs/dbraw/zinc/57/97/92/1067579792.db2.gz VFZGVWZIUZEUFV-YSSFQJQWSA-N 0 0 454.970 4.932 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc4ccccc4o3)n2CCCNC(=O)C(C)C)CCS1 ZINC001546114655 1067580068 /nfs/dbraw/zinc/58/00/68/1067580068.db2.gz AZCIOQKXTUNADI-UHFFFAOYSA-N 0 0 469.655 4.966 20 0 JJADRN CO[C@@H]1CCC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001460209732 1067580150 /nfs/dbraw/zinc/58/01/50/1067580150.db2.gz DIKPRROQDOGGOI-NHCUHLMSSA-N 0 0 454.368 4.528 20 0 JJADRN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460211212 1067580462 /nfs/dbraw/zinc/58/04/62/1067580462.db2.gz YHHTXFVGOSIXFM-MRXNPFEDSA-N 0 0 453.986 4.919 20 0 JJADRN CO[C@@](C)(CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1 ZINC001460213651 1067580721 /nfs/dbraw/zinc/58/07/21/1067580721.db2.gz CSGCZKJODCZGQY-SANMLTNESA-N 0 0 452.595 4.931 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CC2(COC)CC2)nc1-c1ccc(Br)cc1 ZINC001460212220 1067580727 /nfs/dbraw/zinc/58/07/27/1067580727.db2.gz RAIASLFIDUBCAZ-UHFFFAOYSA-N 0 0 453.358 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1ncc(C(F)(F)F)cn1)CC1CCCCC1 ZINC001460211835 1067580760 /nfs/dbraw/zinc/58/07/60/1067580760.db2.gz MHFAOLACOSVNBY-KRWDZBQOSA-N 0 0 458.525 4.756 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3ncc(C(F)(F)F)cn3)c3cnn(C(C)C)c3n2)cc1 ZINC001460212031 1067580803 /nfs/dbraw/zinc/58/08/03/1067580803.db2.gz PYCIRTXLTNCLIS-UHFFFAOYSA-N 0 0 454.456 4.726 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCO2)CCS1 ZINC001546114736 1067582150 /nfs/dbraw/zinc/58/21/50/1067582150.db2.gz DZHXKGMWEMOEKE-SFHVURJKSA-N 0 0 465.461 4.999 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2CF)CCS1 ZINC001546114713 1067582159 /nfs/dbraw/zinc/58/21/59/1067582159.db2.gz CYCYCVMVHIUKKE-DLBZAZTESA-N 0 0 464.607 4.613 20 0 JJADRN Cc1cc(Br)cc(C)c1NC(=O)CCCN([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223587 1067583422 /nfs/dbraw/zinc/58/34/22/1067583422.db2.gz CVOPPAIPVQNUHW-INIZCTEOSA-N 0 0 453.421 4.979 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)NCc1c(Br)cncc1Br ZINC001460226091 1067583828 /nfs/dbraw/zinc/58/38/28/1067583828.db2.gz CGZRRNKOCUKLSS-LBPRGKRZSA-N 0 0 458.219 4.792 20 0 JJADRN Cc1ccc2c(CC(=O)NCc3c(Br)cncc3Br)coc2c1C ZINC001460226425 1067584333 /nfs/dbraw/zinc/58/43/33/1067584333.db2.gz FJEZWDRWCUKBOM-UHFFFAOYSA-N 0 0 452.146 4.829 20 0 JJADRN O=C(CN1CCC(Cc2c(F)cccc2F)CC1)Nc1c(F)cc(F)cc1Br ZINC001460229210 1067584569 /nfs/dbraw/zinc/58/45/69/1067584569.db2.gz AKOKNFNBZVDVPG-UHFFFAOYSA-N 0 0 459.281 4.899 20 0 JJADRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1ccccc1[S@](=O)C(F)(F)F ZINC001460228358 1067584681 /nfs/dbraw/zinc/58/46/81/1067584681.db2.gz SDSCNBQYRDJHGK-SRGMZFCMSA-N 0 0 450.251 4.633 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H]2OC)CCS1 ZINC001546114857 1067585023 /nfs/dbraw/zinc/58/50/23/1067585023.db2.gz IRGLDXSRAZBPAO-AVRDEDQJSA-N 0 0 474.671 4.889 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@@H]2OC)CCS1 ZINC001546114858 1067585113 /nfs/dbraw/zinc/58/51/13/1067585113.db2.gz IRGLDXSRAZBPAO-GCJKJVERSA-N 0 0 474.671 4.889 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncnn2C(C)(C)C)CCS1 ZINC001546114875 1067585382 /nfs/dbraw/zinc/58/53/82/1067585382.db2.gz JKRIRMUVRGZTPW-UHFFFAOYSA-N 0 0 475.066 4.500 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC)c3)n2CCCOC(F)(F)F)CCS1 ZINC001546114909 1067585638 /nfs/dbraw/zinc/58/56/38/1067585638.db2.gz KNCIGEXOMCCUIZ-UHFFFAOYSA-N 0 0 458.550 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001460232535 1067585659 /nfs/dbraw/zinc/58/56/59/1067585659.db2.gz PXMDQNIIQOFIJI-IEBWSBKVSA-N 0 0 463.500 4.929 20 0 JJADRN Cc1cccc2nc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)cn21 ZINC001460232316 1067585664 /nfs/dbraw/zinc/58/56/64/1067585664.db2.gz NTGWPVBDYGSKSC-TZIWHRDSSA-N 0 0 466.557 4.552 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncccc2N(C)C)CCS1 ZINC001546114929 1067585867 /nfs/dbraw/zinc/58/58/67/1067585867.db2.gz LJOVQLXJXMJHBB-UHFFFAOYSA-N 0 0 496.681 4.584 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCCC2)CCS1 ZINC001546114920 1067585899 /nfs/dbraw/zinc/58/58/99/1067585899.db2.gz KTIOABXHRQHUDR-UHFFFAOYSA-N 0 0 466.598 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cccc3c2CCOC3)C1 ZINC001460233359 1067585934 /nfs/dbraw/zinc/58/59/34/1067585934.db2.gz RJQQOLATXWMTOB-IFMALSPDSA-N 0 0 468.569 4.669 20 0 JJADRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001460238461 1067587922 /nfs/dbraw/zinc/58/79/22/1067587922.db2.gz FTGQNOPJYWTCLM-SIXWZSSISA-N 0 0 453.505 4.793 20 0 JJADRN CCOCCN(Cc1cc(OC)c(C(=O)OC)cc1Br)c1ccc(Cl)cc1 ZINC001460240299 1067588601 /nfs/dbraw/zinc/58/86/01/1067588601.db2.gz INZPEIHBSSWHDA-UHFFFAOYSA-N 0 0 456.764 4.941 20 0 JJADRN CCn1c(SCC(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)nnc1-c1cccs1 ZINC001460239384 1067588715 /nfs/dbraw/zinc/58/87/15/1067588715.db2.gz HPPZXRVWYWBEBU-GOSISDBHSA-N 0 0 456.637 4.609 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)C2)cc1 ZINC001460243243 1067589508 /nfs/dbraw/zinc/58/95/08/1067589508.db2.gz VBIXGOLYUDSUTC-GGAORHGYSA-N 0 0 456.627 4.904 20 0 JJADRN CCON(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC001460246540 1067590258 /nfs/dbraw/zinc/59/02/58/1067590258.db2.gz MIOGDZDFBFCYFC-ZDUSSCGKSA-N 0 0 456.178 4.992 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)ccc1Cl ZINC001460250152 1067591162 /nfs/dbraw/zinc/59/11/62/1067591162.db2.gz NRVJBXJOKQVSJZ-CQSZACIVSA-N 0 0 455.723 4.658 20 0 JJADRN CN(CC(=O)Nc1ccccc1Oc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC001460248125 1067591183 /nfs/dbraw/zinc/59/11/83/1067591183.db2.gz PAJJMBJJTHNLMG-OAQYLSRUSA-N 0 0 455.352 4.845 20 0 JJADRN CC[C@H](CNc1ccccc1)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001460254705 1067592208 /nfs/dbraw/zinc/59/22/08/1067592208.db2.gz VKWNRVCHZXTMPV-OAQYLSRUSA-N 0 0 452.576 4.692 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CCS1 ZINC001546115116 1067592545 /nfs/dbraw/zinc/59/25/45/1067592545.db2.gz SOKAZCPCNPOMSW-WMZHIEFXSA-N 0 0 468.733 4.574 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001460259044 1067592945 /nfs/dbraw/zinc/59/29/45/1067592945.db2.gz SPGZXRSXFBZPOJ-UHFFFAOYSA-N 0 0 451.292 4.612 20 0 JJADRN CC[C@@](C)(CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)OC ZINC001460263969 1067593541 /nfs/dbraw/zinc/59/35/41/1067593541.db2.gz ILNGZJJFCRDZQM-FQEVSTJZSA-N 0 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/nfs/dbraw/zinc/59/45/70/1067594570.db2.gz UABZMKTXGHUNPL-UHFFFAOYSA-N 0 0 459.291 4.592 20 0 JJADRN Cc1nc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)nn1-c1ccccc1 ZINC001460272938 1067595036 /nfs/dbraw/zinc/59/50/36/1067595036.db2.gz IMTQEECLCQVFPR-UHFFFAOYSA-N 0 0 457.559 4.867 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274281 1067595446 /nfs/dbraw/zinc/59/54/46/1067595446.db2.gz FMIFAVZVGFONNK-QZNHQXDQSA-N 0 0 476.539 4.586 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1ccc(OC(F)F)c(Br)c1 ZINC001460273849 1067595615 /nfs/dbraw/zinc/59/56/15/1067595615.db2.gz ZGZUWNCSPXPMGL-UHFFFAOYSA-N 0 0 458.284 4.573 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cs1 ZINC001460279365 1067596470 /nfs/dbraw/zinc/59/64/70/1067596470.db2.gz IQWXTTIYMUZVHE-WOJBJXKFSA-N 0 0 458.628 4.558 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2C)CCS1 ZINC001546115233 1067597480 /nfs/dbraw/zinc/59/74/80/1067597480.db2.gz WZGJAINUNKLWFY-VWLOTQADSA-N 0 0 458.672 4.787 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460285566 1067598577 /nfs/dbraw/zinc/59/85/77/1067598577.db2.gz JXEZSRDYLCLBOS-OAHLLOKOSA-N 0 0 450.398 4.893 20 0 JJADRN O=C(c1cnc(Br)c(Cl)c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460285317 1067598611 /nfs/dbraw/zinc/59/86/11/1067598611.db2.gz IGRCSWYNXLXKQC-GFCCVEGCSA-N 0 0 458.581 4.965 20 0 JJADRN CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001460285576 1067598641 /nfs/dbraw/zinc/59/86/41/1067598641.db2.gz ZGTHEUNVXZWTIU-CQSZACIVSA-N 0 0 451.336 4.663 20 0 JJADRN C[C@H]1CCCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@@H]1C(=O)OC(C)(C)C ZINC001460287157 1067598828 /nfs/dbraw/zinc/59/88/28/1067598828.db2.gz QQDCKVMNMPPALG-BTYIYWSLSA-N 0 0 454.596 4.672 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2nnc(C)s2)CCS1 ZINC001546115267 1067598956 /nfs/dbraw/zinc/59/89/56/1067598956.db2.gz YIPZPPRAUIWNKU-UHFFFAOYSA-N 0 0 478.091 4.898 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1)c1ccco1 ZINC001460287332 1067599358 /nfs/dbraw/zinc/59/93/58/1067599358.db2.gz PRCJNFIIISAESZ-KRWDZBQOSA-N 0 0 453.336 4.999 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Br)s3)n2CC2(C)COC2)CCS1 ZINC001546115283 1067599615 /nfs/dbraw/zinc/59/96/15/1067599615.db2.gz YUEXBEQIZFEINN-UHFFFAOYSA-N 0 0 471.490 4.918 20 0 JJADRN O=C(N[C@H](c1nccs1)C(F)(F)F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001460288640 1067599680 /nfs/dbraw/zinc/59/96/80/1067599680.db2.gz WYKSJVNBIZIWQI-CYBMUJFWSA-N 0 0 453.446 4.625 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293177 1067599881 /nfs/dbraw/zinc/59/98/81/1067599881.db2.gz FGMMZWHGQZVRHN-FOIQADDNSA-N 0 0 457.640 4.974 20 0 JJADRN O=C(CN1CCN(c2c(F)cccc2F)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001460294895 1067600537 /nfs/dbraw/zinc/60/05/37/1067600537.db2.gz JWGBLHXAAQDVNO-HXUWFJFHSA-N 0 0 454.348 4.757 20 0 JJADRN CCOC(=O)c1csc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)n1 ZINC001460297597 1067600836 /nfs/dbraw/zinc/60/08/36/1067600836.db2.gz QFHZQNOOQXXPRP-UHFFFAOYSA-N 0 0 454.335 4.537 20 0 JJADRN C[C@@H]1[C@@H](C)N(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460297885 1067600975 /nfs/dbraw/zinc/60/09/75/1067600975.db2.gz OQRULHFOLNMTEM-RRFJBIMHSA-N 0 0 454.402 4.792 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300052 1067601343 /nfs/dbraw/zinc/60/13/43/1067601343.db2.gz CDXSACSGCZICMU-ORYQWCPZSA-N 0 0 473.411 4.833 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@H](c3cccnc3)C1)C[C@H](C)CC2 ZINC001460301151 1067601741 /nfs/dbraw/zinc/60/17/41/1067601741.db2.gz BRAKJHKMFHXETQ-AOIWGVFYSA-N 0 0 455.624 4.651 20 0 JJADRN CC(C)(C)[C@H](NC(=O)CN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302937 1067602820 /nfs/dbraw/zinc/60/28/20/1067602820.db2.gz UNOPBZNRVYAJAZ-NTKDMRAZSA-N 0 0 459.631 4.509 20 0 JJADRN Cc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)ccc1-c1cnn(C)c1 ZINC001460306060 1067603769 /nfs/dbraw/zinc/60/37/69/1067603769.db2.gz PQRZFEIMISLSFC-UHFFFAOYSA-N 0 0 450.340 4.811 20 0 JJADRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309918 1067605045 /nfs/dbraw/zinc/60/50/45/1067605045.db2.gz YQZVVGLJQVWOKL-UZKOGDIHSA-N 0 0 458.647 4.547 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001460314428 1067605378 /nfs/dbraw/zinc/60/53/78/1067605378.db2.gz SWOCRAFIIMLLCZ-BJKOFHAPSA-N 0 0 464.949 4.959 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)c1ccccc1 ZINC001460317003 1067606475 /nfs/dbraw/zinc/60/64/75/1067606475.db2.gz QENZQPGSTNGFTE-ZWKOTPCHSA-N 0 0 454.311 4.999 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318558 1067606797 /nfs/dbraw/zinc/60/67/97/1067606797.db2.gz RMYAQTVBQAPBBI-RLLQIKCJSA-N 0 0 458.521 4.838 20 0 JJADRN Cc1ccc(F)c(Br)c1NC(=O)c1cccc(F)c1I ZINC001460319731 1067607205 /nfs/dbraw/zinc/60/72/05/1067607205.db2.gz JISKQZAYGXECDL-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC001460321315 1067607648 /nfs/dbraw/zinc/60/76/48/1067607648.db2.gz AGYBDJNOSLOOBA-MHECFPHRSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001460327019 1067608890 /nfs/dbraw/zinc/60/88/90/1067608890.db2.gz SVSMZSCSXBISNU-IERDGZPVSA-N 0 0 451.473 4.634 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCCN([C@@H](C)c4ccccc4F)C3=O)cs2)cc1 ZINC001460328408 1067609410 /nfs/dbraw/zinc/60/94/10/1067609410.db2.gz YPBZPJKHFXRNIY-HTAPYJJXSA-N 0 0 451.567 4.669 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CSc3ccccc32)c1 ZINC001460333420 1067610468 /nfs/dbraw/zinc/61/04/68/1067610468.db2.gz QNHBPCVUFVTMKY-IBGZPJMESA-N 0 0 452.601 4.521 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCc2cccc(C(F)(F)F)n2)CC[C@@H]2CCCC[C@@H]21 ZINC001460333415 1067610552 /nfs/dbraw/zinc/61/05/52/1067610552.db2.gz QMJLYDNLQSRJKJ-SZMVWBNQSA-N 0 0 455.521 4.717 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCc4ccc(F)cc4[C@@H](C)C3)n2)c1 ZINC001460337344 1067610811 /nfs/dbraw/zinc/61/08/11/1067610811.db2.gz WPMACJZDEBALMV-HNNXBMFYSA-N 0 0 455.555 4.567 20 0 JJADRN CC[C@@H]1CN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)[C@@H](C)CO1 ZINC001460336885 1067610933 /nfs/dbraw/zinc/61/09/33/1067610933.db2.gz JJYXMSJJZLHJPZ-PGRDOPGGSA-N 0 0 453.583 4.982 20 0 JJADRN Cc1ccc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)c2ncccc12 ZINC001460342224 1067612393 /nfs/dbraw/zinc/61/23/93/1067612393.db2.gz NQBIQMVRPWGQSB-UHFFFAOYSA-N 0 0 457.343 4.967 20 0 JJADRN Cn1ncc(-c2nc3ccccc3[nH]2)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001460342219 1067612499 /nfs/dbraw/zinc/61/24/99/1067612499.db2.gz AKFFIFZSBFDMIW-UHFFFAOYSA-N 0 0 450.713 4.941 20 0 JJADRN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341898 1067612589 /nfs/dbraw/zinc/61/25/89/1067612589.db2.gz SPOFCIINWCVWIN-IQMFZBJNSA-N 0 0 459.974 4.913 20 0 JJADRN CC(=O)N[C@H](C(=O)Oc1ccc(OCC2CC2)c(Cl)c1)c1cccc(Br)c1 ZINC001460342825 1067612943 /nfs/dbraw/zinc/61/29/43/1067612943.db2.gz HNHAXUDASGYUHK-IBGZPJMESA-N 0 0 452.732 4.674 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1=O ZINC001460344643 1067613310 /nfs/dbraw/zinc/61/33/10/1067613310.db2.gz QUSZLNFTHCMXHP-ROUUACIJSA-N 0 0 450.970 4.709 20 0 JJADRN O=C(/C=C\SCc1ccco1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001460346532 1067613476 /nfs/dbraw/zinc/61/34/76/1067613476.db2.gz UIAZBBUNGCTTSU-WZUFQYTHSA-N 0 0 454.361 4.836 20 0 JJADRN Cc1ccc(I)c(C(=O)NC/C=C\c2ccc(Br)cc2)c1 ZINC001460347022 1067613651 /nfs/dbraw/zinc/61/36/51/1067613651.db2.gz WTSFIGBUFZNICM-IHWYPQMZSA-N 0 0 456.121 4.805 20 0 JJADRN CS(=O)(=O)CC1CCC(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC001460349562 1067614197 /nfs/dbraw/zinc/61/41/97/1067614197.db2.gz MYPFOVSHIUPIDV-AEJJIKPWSA-N 0 0 453.576 4.518 20 0 JJADRN Cc1nc(C(C)C)ccc1COC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC001460354800 1067615329 /nfs/dbraw/zinc/61/53/29/1067615329.db2.gz WGEHWRZOMWGYOW-UHFFFAOYSA-N 0 0 459.575 4.992 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC001460355173 1067615803 /nfs/dbraw/zinc/61/58/03/1067615803.db2.gz AXBTZGRSBGWVRI-ZUTVHTERSA-N 0 0 455.023 4.985 20 0 JJADRN C[C@H](OC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC001460356593 1067616390 /nfs/dbraw/zinc/61/63/90/1067616390.db2.gz HDIUDPXHDVEHNA-PXNSSMCTSA-N 0 0 453.514 4.924 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cc(F)c(Br)cc1F ZINC001460358345 1067617383 /nfs/dbraw/zinc/61/73/83/1067617383.db2.gz KFMGVYWPGREITD-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)CSc2ccc(Br)cc2C)c1 ZINC001460361672 1067618349 /nfs/dbraw/zinc/61/83/49/1067618349.db2.gz QONJJNJBIVZEDU-UHFFFAOYSA-N 0 0 452.370 4.811 20 0 JJADRN COc1ccc([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460361933 1067618516 /nfs/dbraw/zinc/61/85/16/1067618516.db2.gz LVHOTKGIMZHWAW-HKUYNNGSSA-N 0 0 450.432 4.617 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(-n2cccn2)c(F)c1 ZINC001460362728 1067618577 /nfs/dbraw/zinc/61/85/77/1067618577.db2.gz YVMMFJWADVIACS-ZLXGRDSLSA-N 0 0 460.303 4.551 20 0 JJADRN O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001460365598 1067619108 /nfs/dbraw/zinc/61/91/08/1067619108.db2.gz WCCPZVXPVPNYLK-MRXNPFEDSA-N 0 0 450.193 4.862 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366430 1067619369 /nfs/dbraw/zinc/61/93/69/1067619369.db2.gz XFEXCHNRZSAZJM-XFAGBWLFSA-N 0 0 450.023 4.911 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001460366054 1067619401 /nfs/dbraw/zinc/61/94/01/1067619401.db2.gz YJFKKHWVECXNBH-VBKZILBWSA-N 0 0 461.791 4.860 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](C)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001460366432 1067619485 /nfs/dbraw/zinc/61/94/85/1067619485.db2.gz XFEXCHNRZSAZJM-YTZAWJCFSA-N 0 0 450.023 4.911 20 0 JJADRN CCN(CC)[C@@H](C(=O)Nc1cc(COC)cc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001460367566 1067619943 /nfs/dbraw/zinc/61/99/43/1067619943.db2.gz SEECFTOSPQDLKS-HXUWFJFHSA-N 0 0 452.473 4.660 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1cnn(C(C)(C)C)c1I)C(C)(C)C2 ZINC001460370196 1067620467 /nfs/dbraw/zinc/62/04/67/1067620467.db2.gz CIJSOJVEKKGJKT-UHFFFAOYSA-N 0 0 451.352 4.528 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460370684 1067620521 /nfs/dbraw/zinc/62/05/21/1067620521.db2.gz VQGANBNDEHZPJM-HNNXBMFYSA-N 0 0 452.339 4.814 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C ZINC001460377438 1067621664 /nfs/dbraw/zinc/62/16/64/1067621664.db2.gz BLKAPKBQGCHQNP-OALUTQOASA-N 0 0 459.590 4.517 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1OC1CCCC1 ZINC001460376678 1067621671 /nfs/dbraw/zinc/62/16/71/1067621671.db2.gz PKCATRFNDSPBGW-VGOFRKELSA-N 0 0 454.542 4.638 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460377451 1067622056 /nfs/dbraw/zinc/62/20/56/1067622056.db2.gz AJGLSBNHAFXMNW-UHFFFAOYSA-N 0 0 457.505 4.767 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC001460378071 1067622115 /nfs/dbraw/zinc/62/21/15/1067622115.db2.gz BRKWVUCLFMOOGH-UHFFFAOYSA-N 0 0 456.464 4.606 20 0 JJADRN COc1cc(Br)ccc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001460381044 1067622505 /nfs/dbraw/zinc/62/25/05/1067622505.db2.gz FMYCROQVVAQMGR-UHFFFAOYSA-N 0 0 452.370 4.816 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)ccc1F ZINC001460379500 1067622596 /nfs/dbraw/zinc/62/25/96/1067622596.db2.gz AXGXKPVNSBUAON-INIZCTEOSA-N 0 0 458.477 4.553 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C(C)(C)C2 ZINC001460381842 1067622908 /nfs/dbraw/zinc/62/29/08/1067622908.db2.gz WTEQDOJJLWPNMA-UHFFFAOYSA-N 0 0 454.636 4.925 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)cc12 ZINC001460383795 1067623349 /nfs/dbraw/zinc/62/33/49/1067623349.db2.gz WBWVIYLOGOBHDJ-IAGOWNOFSA-N 0 0 452.624 4.811 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC001460386057 1067623834 /nfs/dbraw/zinc/62/38/34/1067623834.db2.gz VWKXPRLNTUVENF-UHFFFAOYSA-N 0 0 459.287 4.715 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccncc2)c2ccc(Br)cc2)C1 ZINC001460395637 1067625961 /nfs/dbraw/zinc/62/59/61/1067625961.db2.gz WERUMOUCGFKGCB-GOSISDBHSA-N 0 0 458.400 4.662 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)c(OC)c1 ZINC001460395393 1067625969 /nfs/dbraw/zinc/62/59/69/1067625969.db2.gz VFSGKHSIYLQTLC-UHFFFAOYSA-N 0 0 458.436 4.535 20 0 JJADRN O=C(O[C@H](c1cccc(Br)n1)C(F)(F)F)c1nc(F)ccc1Br ZINC001460398243 1067626576 /nfs/dbraw/zinc/62/65/76/1067626576.db2.gz BIOJNUQSQIYVKI-LLVKDONJSA-N 0 0 458.003 4.601 20 0 JJADRN O=C(c1cc(Br)cnc1OCC1CC1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001460406403 1067628746 /nfs/dbraw/zinc/62/87/46/1067628746.db2.gz ZWIFXAOBGDYVHO-QGZVFWFLSA-N 0 0 451.748 4.580 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411259 1067629770 /nfs/dbraw/zinc/62/97/70/1067629770.db2.gz QRAKKLSQHKXAGQ-WIYYLYMNSA-N 0 0 459.631 4.764 20 0 JJADRN CC1(C)C[C@H](N(CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412605 1067630256 /nfs/dbraw/zinc/63/02/56/1067630256.db2.gz DLZRQFRQBSFPPX-INIZCTEOSA-N 0 0 453.327 4.736 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001460411922 1067630289 /nfs/dbraw/zinc/63/02/89/1067630289.db2.gz SKVUQPMCESIDOP-JKSUJKDBSA-N 0 0 455.480 4.922 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001460417111 1067631876 /nfs/dbraw/zinc/63/18/76/1067631876.db2.gz KMRSOHCETZQUEK-RDTXWAMCSA-N 0 0 455.555 4.704 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001460420050 1067632199 /nfs/dbraw/zinc/63/21/99/1067632199.db2.gz VNLYTSOUCUIDDI-MRXNPFEDSA-N 0 0 459.974 4.583 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CCS1 ZINC001546116185 1067632249 /nfs/dbraw/zinc/63/22/49/1067632249.db2.gz KMHMCZKIVOSFQM-UHFFFAOYSA-N 0 0 450.656 4.875 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC)c2)CCS1 ZINC001546116213 1067632807 /nfs/dbraw/zinc/63/28/07/1067632807.db2.gz LTMKOVFQUVJVJH-UHFFFAOYSA-N 0 0 467.639 4.712 20 0 JJADRN C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001460428849 1067633162 /nfs/dbraw/zinc/63/31/62/1067633162.db2.gz ACCPFHAMGZAEKA-KRWDZBQOSA-N 0 0 451.548 4.799 20 0 JJADRN CN(C(=O)CN1CCOC[C@@H]1c1cc(F)cc(F)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460430060 1067633195 /nfs/dbraw/zinc/63/31/95/1067633195.db2.gz YTDJJFAIDIPCBO-AOYPEHQESA-N 0 0 454.492 4.725 20 0 JJADRN COc1ccc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1OC ZINC001460431356 1067633675 /nfs/dbraw/zinc/63/36/75/1067633675.db2.gz TXBFUYYUMRJJSZ-RAXLEYEMSA-N 0 0 452.551 4.721 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001460434368 1067633873 /nfs/dbraw/zinc/63/38/73/1067633873.db2.gz DBRGPCWAKYRYLD-IBGZPJMESA-N 0 0 450.760 4.966 20 0 JJADRN COc1ccc(CCNC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(Cl)c1OC ZINC001460435007 1067634322 /nfs/dbraw/zinc/63/43/22/1067634322.db2.gz NNNKDQPGDPIOMU-UHFFFAOYSA-N 0 0 455.967 4.635 20 0 JJADRN COc1cc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3)C3CC3)n2)cc(Cl)c1OC ZINC001460438047 1067634754 /nfs/dbraw/zinc/63/47/54/1067634754.db2.gz XMNHZAGGJSMDAQ-SFHVURJKSA-N 0 0 455.942 4.650 20 0 JJADRN CCOCN(C(=O)CN1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C)c1c(C)cccc1CC ZINC001460440700 1067635382 /nfs/dbraw/zinc/63/53/82/1067635382.db2.gz CTLOYYFCSKBJRJ-KNQAVFIVSA-N 0 0 461.647 4.510 20 0 JJADRN O=C(CN1CCC([C@@H]2CCCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460441933 1067635642 /nfs/dbraw/zinc/63/56/42/1067635642.db2.gz DFSCRQKYFMHZEC-QHCPKHFHSA-N 0 0 455.986 4.812 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N1CC(C)(C)c2ccc(Br)cc21 ZINC001460444282 1067635810 /nfs/dbraw/zinc/63/58/10/1067635810.db2.gz CGDLBAIEHROKAA-GFCCVEGCSA-N 0 0 451.386 4.730 20 0 JJADRN Cc1ccc(Br)cc1CN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001460457092 1067637525 /nfs/dbraw/zinc/63/75/25/1067637525.db2.gz CCWAVLKMBBLMEO-RTBURBONSA-N 0 0 455.318 4.794 20 0 JJADRN Cc1ccccc1-c1noc([C@@H](C)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)n1 ZINC001460466293 1067639026 /nfs/dbraw/zinc/63/90/26/1067639026.db2.gz ZFVKQZWIOUWQRQ-NSISKUIASA-N 0 0 458.484 4.643 20 0 JJADRN CCOC(=O)C(CC)(CC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001460468719 1067639599 /nfs/dbraw/zinc/63/95/99/1067639599.db2.gz CFQNRTMSPHFGHG-UHFFFAOYSA-N 0 0 453.970 4.973 20 0 JJADRN Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1Br ZINC001460473620 1067640432 /nfs/dbraw/zinc/64/04/32/1067640432.db2.gz SCPBZJCJJXZDEM-IEBWSBKVSA-N 0 0 455.318 4.794 20 0 JJADRN COc1cc(OC)c(NC(=O)CN2CC3(CC3)c3ccc(Br)cc32)cc1Cl ZINC001460474123 1067640506 /nfs/dbraw/zinc/64/05/06/1067640506.db2.gz XXEZPJYULHYNSC-UHFFFAOYSA-N 0 0 451.748 4.610 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472969 1067640515 /nfs/dbraw/zinc/64/05/15/1067640515.db2.gz RBTYJWZSIKGANP-NHCUHLMSSA-N 0 0 451.394 4.769 20 0 JJADRN O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1nn(-c2ccccc2F)cc1Br ZINC001460475630 1067640831 /nfs/dbraw/zinc/64/08/31/1067640831.db2.gz CBCKDQSJVRDFHP-KRWDZBQOSA-N 0 0 450.258 4.860 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CCCNc2ccccn2)CCS1 ZINC001546116530 1067640924 /nfs/dbraw/zinc/64/09/24/1067640924.db2.gz YNJSAZZVXDOWFM-UHFFFAOYSA-N 0 0 466.655 4.963 20 0 JJADRN Cc1cccc(CCC(=O)Nc2ncc(Br)c(C)c2I)c1 ZINC001460476793 1067641338 /nfs/dbraw/zinc/64/13/38/1067641338.db2.gz HLHHDCVDUBGMTF-UHFFFAOYSA-N 0 0 459.125 4.637 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC001460477052 1067641386 /nfs/dbraw/zinc/64/13/86/1067641386.db2.gz JQUFCGYTYVJQFH-PMACEKPBSA-N 0 0 450.348 4.563 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N(C(C)=O)C4CC4)cc3)s2)cc1OC ZINC001460479270 1067642219 /nfs/dbraw/zinc/64/22/19/1067642219.db2.gz ORBAUJDNZHNRFZ-UHFFFAOYSA-N 0 0 451.548 4.903 20 0 JJADRN Cc1c(Br)cnc(NC(=O)c2csc(Cl)c2)c1I ZINC001460479583 1067642268 /nfs/dbraw/zinc/64/22/68/1067642268.db2.gz PTHKTLRUMKISIQ-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN CC(=O)N(c1nc(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001460479739 1067642299 /nfs/dbraw/zinc/64/22/99/1067642299.db2.gz WKBFQMRBRXWNGZ-NHCUHLMSSA-N 0 0 476.618 4.882 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1 ZINC001460481323 1067642807 /nfs/dbraw/zinc/64/28/07/1067642807.db2.gz PHYVMNQIFMVZSZ-UHFFFAOYSA-N 0 0 456.030 4.885 20 0 JJADRN COc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc2cccnc21 ZINC001460485384 1067643732 /nfs/dbraw/zinc/64/37/32/1067643732.db2.gz XMPWXRURGLPAEW-UHFFFAOYSA-N 0 0 457.452 4.753 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cnn(-c4ccccc4C)c3C(C)C)nc21 ZINC001460488186 1067644199 /nfs/dbraw/zinc/64/41/99/1067644199.db2.gz YRVPMIHSEITTEQ-INIZCTEOSA-N 0 0 452.580 4.996 20 0 JJADRN CCc1ccc([C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)C2)cc1 ZINC001460500585 1067645714 /nfs/dbraw/zinc/64/57/14/1067645714.db2.gz PKGIPAHBJPQLAM-YOSAUDMPSA-N 0 0 454.636 4.545 20 0 JJADRN CCc1ccc([C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)C2)cc1 ZINC001460500576 1067645769 /nfs/dbraw/zinc/64/57/69/1067645769.db2.gz PKGIPAHBJPQLAM-ROKPMTFOSA-N 0 0 454.636 4.545 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001460504889 1067646200 /nfs/dbraw/zinc/64/62/00/1067646200.db2.gz MPTQIHYWLTYHEK-IBGZPJMESA-N 0 0 459.757 4.830 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)n2)c1 ZINC001460520228 1067648129 /nfs/dbraw/zinc/64/81/29/1067648129.db2.gz AUJFHLBTYUTJTO-HXUWFJFHSA-N 0 0 455.873 4.690 20 0 JJADRN OC1(c2cccc(Br)c2)CN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001460521971 1067648542 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451.885 4.503 20 0 JJADRN C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccc(N2CCCCC2=O)cc1 ZINC001460582112 1067661208 /nfs/dbraw/zinc/66/12/08/1067661208.db2.gz PZNDSVSNSWYYJU-ZDUSSCGKSA-N 0 0 451.311 4.664 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCCC2=O)cc1 ZINC001460581458 1067661223 /nfs/dbraw/zinc/66/12/23/1067661223.db2.gz NSEXZUBMYADIGY-BEFAXECRSA-N 0 0 457.368 4.710 20 0 JJADRN Cc1cc(NC(=O)CC2CCC3(CC2)OCCO3)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001460582122 1067661318 /nfs/dbraw/zinc/66/13/18/1067661318.db2.gz QNWCUIQEUGJJSC-GOSISDBHSA-N 0 0 454.542 4.887 20 0 JJADRN Cc1ccc(C2=NO[C@@H](C(=O)Nc3ncc(Cl)cc3C(=O)Cc3cccc(F)c3)C2)cc1 ZINC001460584314 1067662373 /nfs/dbraw/zinc/66/23/73/1067662373.db2.gz NYHBJIBCLPVHIB-JOCHJYFZSA-N 0 0 451.885 4.740 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3sc(C)cc3OC(F)F)cc2F)ccn1 ZINC001460585638 1067662632 /nfs/dbraw/zinc/66/26/32/1067662632.db2.gz SNFYYPMQPBVMDE-UHFFFAOYSA-N 0 0 451.426 4.596 20 0 JJADRN Cc1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c(C(=O)NCC(F)(F)F)cc1F ZINC001460584970 1067662813 /nfs/dbraw/zinc/66/28/13/1067662813.db2.gz BFRHOTVERNPWAV-UHFFFAOYSA-N 0 0 454.420 4.634 20 0 JJADRN CO[C@H](C)[C@@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC001460587598 1067663165 /nfs/dbraw/zinc/66/31/65/1067663165.db2.gz JYDGIINMPBZHPD-HUUCEWRRSA-N 0 0 451.514 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 ZINC001460588194 1067663185 /nfs/dbraw/zinc/66/31/85/1067663185.db2.gz LDLPVFNPCIKBMF-DUVNUKRYSA-N 0 0 464.385 4.767 20 0 JJADRN Cc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(C(=O)NCC(F)(F)F)cc1F ZINC001460588151 1067663204 /nfs/dbraw/zinc/66/32/04/1067663204.db2.gz KOONVEVMHWWAHO-UHFFFAOYSA-N 0 0 453.219 4.751 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001460590522 1067664159 /nfs/dbraw/zinc/66/41/59/1067664159.db2.gz DPQUKYIMYMZEAE-XFAGBWLFSA-N 0 0 452.982 4.823 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NCc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001460590535 1067664176 /nfs/dbraw/zinc/66/41/76/1067664176.db2.gz DSNUAWVQQIYSON-INIZCTEOSA-N 0 0 454.741 4.961 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cnn(Cc3ccccc3)c2Br)c(C)c1OC ZINC001460596658 1067664997 /nfs/dbraw/zinc/66/49/97/1067664997.db2.gz IKFQZQKLUYWYPL-HNNXBMFYSA-N 0 0 458.356 4.511 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596424 1067665003 /nfs/dbraw/zinc/66/50/03/1067665003.db2.gz NQGXUYQRBAUAHC-HYBUGGRVSA-N 0 0 454.611 4.941 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)OC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC001460597430 1067665554 /nfs/dbraw/zinc/66/55/54/1067665554.db2.gz JEZRIBKJTMUQIF-QFIPXVFZSA-N 0 0 451.560 4.807 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cccc(OC)c1 ZINC001460597628 1067665568 /nfs/dbraw/zinc/66/55/68/1067665568.db2.gz NIWCFZFOOFTRFF-PWYGHMFVSA-N 0 0 455.860 4.975 20 0 JJADRN COC(=O)[C@H](N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001460598483 1067666021 /nfs/dbraw/zinc/66/60/21/1067666021.db2.gz VBPNYDBIGCSTPL-LEWJYISDSA-N 0 0 450.362 4.894 20 0 JJADRN C[C@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccc(Br)cc1F ZINC001460600207 1067666467 /nfs/dbraw/zinc/66/64/67/1067666467.db2.gz PGFBOFQSDOVGQU-AWEZNQCLSA-N 0 0 453.315 4.872 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)c4ccccc43)CC2)cc1 ZINC001460602165 1067667412 /nfs/dbraw/zinc/66/74/12/1067667412.db2.gz BYBDSRSKIAWIEP-GOSISDBHSA-N 0 0 454.567 4.565 20 0 JJADRN C[C@@H]1[C@@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001460602694 1067667472 /nfs/dbraw/zinc/66/74/72/1067667472.db2.gz APQUPHAEADFNBI-DOMZBBRYSA-N 0 0 456.440 4.614 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1nccn1-c1ccccc1 ZINC001460602929 1067668196 /nfs/dbraw/zinc/66/81/96/1067668196.db2.gz CIHKUEAKYRPKLM-BGWNEDDSSA-N 0 0 474.605 4.775 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC001460605505 1067669271 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LXUAOCZPHKFDAM-OAQYLSRUSA-N 0 0 462.635 4.966 20 0 JJADRN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Br)c(F)c1 ZINC001460613234 1067673064 /nfs/dbraw/zinc/67/30/64/1067673064.db2.gz NQTCYUHHPITMGR-UHFFFAOYSA-N 0 0 458.209 4.673 20 0 JJADRN CCCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)Cc1ccc(OC)cc1 ZINC001460615254 1067673564 /nfs/dbraw/zinc/67/35/64/1067673564.db2.gz GIRFHCAITMMYFL-QGZVFWFLSA-N 0 0 458.624 4.909 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)ccc1Br ZINC001460617202 1067674220 /nfs/dbraw/zinc/67/42/20/1067674220.db2.gz MPPULVQCJASFGW-UHFFFAOYSA-N 0 0 453.327 4.537 20 0 JJADRN O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001460621272 1067675163 /nfs/dbraw/zinc/67/51/63/1067675163.db2.gz ZBMXKYQNUVCVJJ-HNNXBMFYSA-N 0 0 458.432 4.840 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC001460619859 1067675195 /nfs/dbraw/zinc/67/51/95/1067675195.db2.gz YQMRROXYNTUCFP-LLVKDONJSA-N 0 0 457.370 4.768 20 0 JJADRN CC(C)(C)c1ncc(/C=C\C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)s1 ZINC001460620685 1067675219 /nfs/dbraw/zinc/67/52/19/1067675219.db2.gz VDKSBUKYJUOSHR-FPLPWBNLSA-N 0 0 450.486 4.925 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CCS1 ZINC001546117696 1067675717 /nfs/dbraw/zinc/67/57/17/1067675717.db2.gz NDXCSJBNYILJFM-UHFFFAOYSA-N 0 0 462.660 4.663 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CCS1 ZINC001546117698 1067675757 /nfs/dbraw/zinc/67/57/57/1067675757.db2.gz NFYJPMMZNJHIOC-UHFFFAOYSA-N 0 0 453.660 4.608 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001546117736 1067676326 /nfs/dbraw/zinc/67/63/26/1067676326.db2.gz NWRUJJUKZXDJDQ-VQTJNVASSA-N 0 0 493.718 4.541 20 0 JJADRN CC(C)(Oc1ccc(F)cc1)C(=O)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001460626594 1067677391 /nfs/dbraw/zinc/67/73/91/1067677391.db2.gz PUEOFINRMRFONB-UHFFFAOYSA-N 0 0 451.336 4.600 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001546117827 1067677972 /nfs/dbraw/zinc/67/79/72/1067677972.db2.gz QCBHXOYVGUFHTC-RXVVDRJESA-N 0 0 493.668 4.865 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)CCN(C)C(=O)OCc1ccccc1 ZINC001460631048 1067678503 /nfs/dbraw/zinc/67/85/03/1067678503.db2.gz FTBQGSDPRUDSPK-UHFFFAOYSA-N 0 0 453.308 4.584 20 0 JJADRN C[C@@]1(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)OCCc2sccc21 ZINC001460632772 1067678980 /nfs/dbraw/zinc/67/89/80/1067678980.db2.gz LKUKAEHFTWGTQU-FQEVSTJZSA-N 0 0 450.347 4.855 20 0 JJADRN Cc1oc(Br)cc1C(=O)N(CC1CCOCC1)c1ccc(Br)cn1 ZINC001460632510 1067679049 /nfs/dbraw/zinc/67/90/49/1067679049.db2.gz XAVBBAIEJXNVMY-UHFFFAOYSA-N 0 0 458.150 4.581 20 0 JJADRN CCCC(CCC)c1ccc(OC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC001460633603 1067679538 /nfs/dbraw/zinc/67/95/38/1067679538.db2.gz BQKKSHAKFCQOAF-SANMLTNESA-N 0 0 452.551 4.752 20 0 JJADRN C[C@H](OC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460633668 1067679554 /nfs/dbraw/zinc/67/95/54/1067679554.db2.gz HKCNIVCWAHRLID-INIZCTEOSA-N 0 0 457.983 4.683 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)C1(c2cncc(Br)c2)CC1 ZINC001460635352 1067680214 /nfs/dbraw/zinc/68/02/14/1067680214.db2.gz VZOLILMVYAAMQD-UHFFFAOYSA-N 0 0 458.125 4.815 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460637736 1067681014 /nfs/dbraw/zinc/68/10/14/1067681014.db2.gz HQBLMQIIPYIUKZ-MRXNPFEDSA-N 0 0 459.315 4.769 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1cc(C)nc(N2CCCC2)c1 ZINC001460641530 1067682662 /nfs/dbraw/zinc/68/26/62/1067682662.db2.gz GOZYNJLJDNUOOL-UHFFFAOYSA-N 0 0 452.555 4.682 20 0 JJADRN Cc1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1Br ZINC001460641225 1067682697 /nfs/dbraw/zinc/68/26/97/1067682697.db2.gz FQZVBIBRYDLVIX-IBGZPJMESA-N 0 0 451.405 4.740 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1 ZINC001460643851 1067683720 /nfs/dbraw/zinc/68/37/20/1067683720.db2.gz MLAGNTYHDYBEJQ-UHFFFAOYSA-N 0 0 450.466 4.681 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCC(Cc4ccccc4Cl)CC3)nc(N)c2c1C ZINC001460644984 1067684104 /nfs/dbraw/zinc/68/41/04/1067684104.db2.gz VSVJPGPIUXAJCH-UHFFFAOYSA-N 0 0 459.015 4.867 20 0 JJADRN Cc1cccc2c1OC[C@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C2 ZINC001460648821 1067685736 /nfs/dbraw/zinc/68/57/36/1067685736.db2.gz RWMOZAYAKZUBGF-NFBKMPQASA-N 0 0 452.348 4.998 20 0 JJADRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001460647945 1067685787 /nfs/dbraw/zinc/68/57/87/1067685787.db2.gz ZAMZPRPWSRFGTE-CQSZACIVSA-N 0 0 458.477 4.968 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H](C)c2ccccc2)CCS1 ZINC001546117923 1067686170 /nfs/dbraw/zinc/68/61/70/1067686170.db2.gz SQZRECMYDGOBOF-FPOVZHCZSA-N 0 0 471.671 4.509 20 0 JJADRN Cc1cccc2c1OC[C@@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C2 ZINC001460648841 1067686212 /nfs/dbraw/zinc/68/62/12/1067686212.db2.gz RWMOZAYAKZUBGF-REWPJTCUSA-N 0 0 452.348 4.998 20 0 JJADRN CCSc1cccc(CNC(=O)c2c(C)cnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001460653564 1067688234 /nfs/dbraw/zinc/68/82/34/1067688234.db2.gz NCHXZIBVPOHNJZ-IBGZPJMESA-N 0 0 458.628 4.806 20 0 JJADRN CC(C)(C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)c1csc(-c2cccs2)n1 ZINC001460653090 1067688357 /nfs/dbraw/zinc/68/83/57/1067688357.db2.gz YJWMRSNWNFHOEB-UHFFFAOYSA-N 0 0 451.520 4.531 20 0 JJADRN CCSc1cccc(CNC(=O)c2c(C)cnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001460653569 1067688423 /nfs/dbraw/zinc/68/84/23/1067688423.db2.gz NCHXZIBVPOHNJZ-LJQANCHMSA-N 0 0 458.628 4.806 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 ZINC001460654703 1067688904 /nfs/dbraw/zinc/68/89/04/1067688904.db2.gz PEYKDTAIZHHJOU-UHFFFAOYSA-N 0 0 457.412 4.521 20 0 JJADRN CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001460654815 1067689346 /nfs/dbraw/zinc/68/93/46/1067689346.db2.gz VGLPJEVBLJPYJJ-JNSHFYNHSA-N 0 0 450.299 4.540 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCS1 ZINC001546117978 1067689821 /nfs/dbraw/zinc/68/98/21/1067689821.db2.gz UMVUAUDSGVHYAK-AQNXPRMDSA-N 0 0 450.693 4.735 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)NC(=O)OC(C)(C)C ZINC001460657409 1067690826 /nfs/dbraw/zinc/69/08/26/1067690826.db2.gz UHSRIDSMIFCVKI-MBSDFSHPSA-N 0 0 454.567 4.601 20 0 JJADRN COc1c(Br)cccc1C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460657449 1067690867 /nfs/dbraw/zinc/69/08/67/1067690867.db2.gz YMZOJQMKOHSKOZ-MRXNPFEDSA-N 0 0 453.377 4.511 20 0 JJADRN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460660705 1067691859 /nfs/dbraw/zinc/69/18/59/1067691859.db2.gz KQZFMWCAFGXYIQ-OFNKIYASSA-N 0 0 451.611 4.940 20 0 JJADRN CCCC[C@H](C(=O)Nc1cc(C)on1)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460660680 1067691869 /nfs/dbraw/zinc/69/18/69/1067691869.db2.gz QNXLGGXVJRNWNY-GHTZIAJQSA-N 0 0 456.587 4.684 20 0 JJADRN COCC(C)(C)CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001460666487 1067693632 /nfs/dbraw/zinc/69/36/32/1067693632.db2.gz QLCARWQHYMXOMX-UXHICEINSA-N 0 0 453.023 4.860 20 0 JJADRN O=C(NCc1noc2c1CCCC2)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001460669684 1067694596 /nfs/dbraw/zinc/69/45/96/1067694596.db2.gz LKGLKDGKPSFNKZ-OAQYLSRUSA-N 0 0 459.315 4.892 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(C)C)nc2)CCS1 ZINC001546118114 1067694603 /nfs/dbraw/zinc/69/46/03/1067694603.db2.gz XRUWCCNYRPQXRF-FQEVSTJZSA-N 0 0 459.660 4.862 20 0 JJADRN CC[C@]1(CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460670769 1067694635 /nfs/dbraw/zinc/69/46/35/1067694635.db2.gz CFIGUHCJAIHAQV-HHHXNRCGSA-N 0 0 452.595 4.704 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CC)[C@@H]3c3cccc(C)c3)sc2c1 ZINC001460672883 1067695550 /nfs/dbraw/zinc/69/55/50/1067695550.db2.gz GTHFCOWHTUEBRN-AUSIDOKSSA-N 0 0 450.608 4.999 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(CC)[C@H]3c3cccc(C)c3)sc2c1 ZINC001460672889 1067695572 /nfs/dbraw/zinc/69/55/72/1067695572.db2.gz GTHFCOWHTUEBRN-CVDCTZTESA-N 0 0 450.608 4.999 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674473 1067695977 /nfs/dbraw/zinc/69/59/77/1067695977.db2.gz HBBWWVAHQYHVJD-IBGZPJMESA-N 0 0 452.473 4.980 20 0 JJADRN Cc1cc(C2CC2)nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 ZINC001460674300 1067696532 /nfs/dbraw/zinc/69/65/32/1067696532.db2.gz JFDNNIXHNRTOQX-KRWDZBQOSA-N 0 0 450.461 4.886 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccncc3OCCC(C)(C)C)no2)c1 ZINC001460674529 1067696635 /nfs/dbraw/zinc/69/66/35/1067696635.db2.gz OTAANJXKVZKWOH-UHFFFAOYSA-N 0 0 451.523 4.596 20 0 JJADRN COc1cc(F)c(F)cc1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC001460674665 1067696644 /nfs/dbraw/zinc/69/66/44/1067696644.db2.gz PDZWOJZTUBNNDM-UHFFFAOYSA-N 0 0 453.367 4.616 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1cccc2ccccc21 ZINC001460681881 1067700039 /nfs/dbraw/zinc/70/00/39/1067700039.db2.gz VLWBQLVFDJBERT-SQJMNOBHSA-N 0 0 458.558 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NCC(=O)Nc2ccnn2C2CCCC2)C1(C)C ZINC001460682288 1067700348 /nfs/dbraw/zinc/70/03/48/1067700348.db2.gz CKWFMMQTLISJAW-JOCHJYFZSA-N 0 0 453.587 4.801 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC001460683189 1067700552 /nfs/dbraw/zinc/70/05/52/1067700552.db2.gz MOXYEHTXEUEERJ-YJBOKZPZSA-N 0 0 456.029 4.508 20 0 JJADRN COCC1(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CCCCC1 ZINC001460682790 1067700707 /nfs/dbraw/zinc/70/07/07/1067700707.db2.gz ZSXGAXRTHWPFFP-UHFFFAOYSA-N 0 0 450.608 4.740 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(Br)c2)CCS1 ZINC001546118153 1067701156 /nfs/dbraw/zinc/70/11/56/1067701156.db2.gz YMWYJEFATIZPPV-KRWDZBQOSA-N 0 0 495.487 4.713 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c(OCC(F)F)c1 ZINC001460688418 1067702361 /nfs/dbraw/zinc/70/23/61/1067702361.db2.gz JWRMNXZWGVAAHD-UHFFFAOYSA-N 0 0 454.351 4.961 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3scnc3C)[C@@H]2c2ccccc2OC)cc1 ZINC001460691119 1067702952 /nfs/dbraw/zinc/70/29/52/1067702952.db2.gz OOXTTYRRHKKAGT-UGKGYDQZSA-N 0 0 451.548 4.592 20 0 JJADRN O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1cnn(CCC(F)(F)F)c1 ZINC001460694685 1067703195 /nfs/dbraw/zinc/70/31/95/1067703195.db2.gz UOOCGDXLPYTJDG-INIZCTEOSA-N 0 0 455.278 4.887 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)ccc1C ZINC001460693667 1067703365 /nfs/dbraw/zinc/70/33/65/1067703365.db2.gz TZJHXWPYMSRXAA-OAHLLOKOSA-N 0 0 458.502 4.607 20 0 JJADRN CCc1ccc(CN2CCN(Cc3csc(N(C(C)=O)c4ccc(F)cc4)n3)CC2)cc1 ZINC001460702580 1067704947 /nfs/dbraw/zinc/70/49/47/1067704947.db2.gz VBQJEOHMOFIPOD-UHFFFAOYSA-N 0 0 452.599 4.847 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001460706219 1067705173 /nfs/dbraw/zinc/70/51/73/1067705173.db2.gz CJSMPLLGTBNCHQ-UHFFFAOYSA-N 0 0 459.612 4.549 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704788 1067705405 /nfs/dbraw/zinc/70/54/05/1067705405.db2.gz KBWNRAIVXGYIDI-FGZHOGPDSA-N 0 0 452.551 4.769 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001460704912 1067705431 /nfs/dbraw/zinc/70/54/31/1067705431.db2.gz LPUSJNMSGSOLPS-LJQANCHMSA-N 0 0 458.430 4.673 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC001460704991 1067705456 /nfs/dbraw/zinc/70/54/56/1067705456.db2.gz UKPJYHUEXVONJZ-NHCUHLMSSA-N 0 0 481.346 4.665 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2ccc(Cl)c(I)c2)cc1 ZINC001460713557 1067706952 /nfs/dbraw/zinc/70/69/52/1067706952.db2.gz NLYLIHIETRJODL-CYBMUJFWSA-N 0 0 457.739 4.952 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 ZINC001460714438 1067707146 /nfs/dbraw/zinc/70/71/46/1067707146.db2.gz VGRRWIHLDDREOB-FQEVSTJZSA-N 0 0 451.588 4.668 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 ZINC001460714094 1067707259 /nfs/dbraw/zinc/70/72/59/1067707259.db2.gz RUTBJIWISNLHPB-FQEVSTJZSA-N 0 0 457.636 4.784 20 0 JJADRN Cc1ccc(N2C(=O)C[C@@H](C(=O)N(Cc3cnn(C)c3)CC(C)C)[C@@H]2c2cccs2)cc1 ZINC001460716174 1067707744 /nfs/dbraw/zinc/70/77/44/1067707744.db2.gz PBQAUDALVPTXCT-ZJSXRUAMSA-N 0 0 450.608 4.569 20 0 JJADRN COc1ccc(CN(CCCNC(=O)OC(C)(C)C)CC(F)(F)F)c(Br)c1 ZINC001460717504 1067708452 /nfs/dbraw/zinc/70/84/52/1067708452.db2.gz CXXDJLKBVIESKY-UHFFFAOYSA-N 0 0 455.315 4.737 20 0 JJADRN Cc1nn(CC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001460724964 1067709983 /nfs/dbraw/zinc/70/99/83/1067709983.db2.gz PUYHRSOPNFBXHO-RHSMWYFYSA-N 0 0 466.529 4.980 20 0 JJADRN C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460730775 1067711257 /nfs/dbraw/zinc/71/12/57/1067711257.db2.gz ZCBAWEPKZGKXAC-VBURHUQHSA-N 0 0 450.530 4.593 20 0 JJADRN C[C@@H](CC(C)(C)C)NC(=O)CCCc1nnc(-c2ccccc2I)o1 ZINC001460731656 1067711588 /nfs/dbraw/zinc/71/15/88/1067711588.db2.gz WWTKGQSTXQVNPJ-ZDUSSCGKSA-N 0 0 455.340 4.605 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CC(C)(C)C)c1 ZINC001460733095 1067711615 /nfs/dbraw/zinc/71/16/15/1067711615.db2.gz YWZSMSMFHJFFCX-HNNXBMFYSA-N 0 0 453.004 4.728 20 0 JJADRN Cc1cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)ccc1Br ZINC001460734866 1067712208 /nfs/dbraw/zinc/71/22/08/1067712208.db2.gz WZEGMRCJUJVUGW-QGZVFWFLSA-N 0 0 451.405 4.801 20 0 JJADRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC001460738140 1067712499 /nfs/dbraw/zinc/71/24/99/1067712499.db2.gz ZCEJJQCHTRJFHD-UHFFFAOYSA-N 0 0 450.768 4.631 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001460738837 1067712650 /nfs/dbraw/zinc/71/26/50/1067712650.db2.gz CNXRIBCQCCTIQJ-QGZVFWFLSA-N 0 0 454.615 4.969 20 0 JJADRN O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1CCN2C(=O)CC[C@@]12c1ccccc1 ZINC001460740960 1067713383 /nfs/dbraw/zinc/71/33/83/1067713383.db2.gz KQEQNJQMLRAVQG-IBGZPJMESA-N 0 0 458.358 4.535 20 0 JJADRN COc1ccc(SCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001460743884 1067713806 /nfs/dbraw/zinc/71/38/06/1067713806.db2.gz FBXVBQUUOJIYKW-FCHUYYIVSA-N 0 0 474.598 4.836 20 0 JJADRN Cc1ccc(C2=NO[C@H](C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460743740 1067713837 /nfs/dbraw/zinc/71/38/37/1067713837.db2.gz CPMUWPZSNXPXJL-QTJGBDASSA-N 0 0 481.568 4.537 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460744792 1067714177 /nfs/dbraw/zinc/71/41/77/1067714177.db2.gz LTXDOILRDAJLFD-XZOQPEGZSA-N 0 0 481.568 4.698 20 0 JJADRN COc1ccc2nc(CN3CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750788 1067715642 /nfs/dbraw/zinc/71/56/42/1067715642.db2.gz VASYKSNRVXQPKO-YLJYHZDGSA-N 0 0 457.619 4.652 20 0 JJADRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@H]1CCOc2ccc(Br)cc21 ZINC001460752382 1067716539 /nfs/dbraw/zinc/71/65/39/1067716539.db2.gz ZOSLQMJXFNHQDU-SJCJKPOMSA-N 0 0 457.324 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(Cn3ccnc3)c2)C1 ZINC001460755253 1067716934 /nfs/dbraw/zinc/71/69/34/1067716934.db2.gz ANMWNXICNUFMCK-DHIUTWEWSA-N 0 0 452.599 4.573 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001460754033 1067716985 /nfs/dbraw/zinc/71/69/85/1067716985.db2.gz ARHPLJYTFRFDNI-ASSNKEHSSA-N 0 0 450.432 4.763 20 0 JJADRN CCOC(=O)c1ncc(CN(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)s1 ZINC001460761649 1067719088 /nfs/dbraw/zinc/71/90/88/1067719088.db2.gz NCINRECZHJSKBT-UHFFFAOYSA-N 0 0 453.992 4.500 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001460765017 1067719385 /nfs/dbraw/zinc/71/93/85/1067719385.db2.gz NETXFTTYNXVSSI-OFNKIYASSA-N 0 0 455.599 4.678 20 0 JJADRN C=COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)cc1 ZINC001460771072 1067720626 /nfs/dbraw/zinc/72/06/26/1067720626.db2.gz KFIAPZWAYBSINP-UHFFFAOYSA-N 0 0 452.532 4.603 20 0 JJADRN 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O=C(CCc1cc(C(F)(F)F)ccc1Br)NCc1nccc(C(F)(F)F)n1 ZINC001460927522 1067749652 /nfs/dbraw/zinc/74/96/52/1067749652.db2.gz AEWILXYFOGXGHE-UHFFFAOYSA-N 0 0 456.184 4.526 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)OCc1ccccc1 ZINC001460933748 1067750376 /nfs/dbraw/zinc/75/03/76/1067750376.db2.gz DPLVKZQGGZLYFM-TZRRMPRUSA-N 0 0 450.579 4.838 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001460938891 1067751146 /nfs/dbraw/zinc/75/11/46/1067751146.db2.gz YARUERMIVYOJHT-UHFFFAOYSA-N 0 0 456.274 4.851 20 0 JJADRN CC(C)(CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1cccnc1 ZINC001460938396 1067751237 /nfs/dbraw/zinc/75/12/37/1067751237.db2.gz SCLPPHYAFSGGLE-UHFFFAOYSA-N 0 0 458.271 4.696 20 0 JJADRN CN(C)c1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1C(F)(F)F ZINC001460947329 1067751891 /nfs/dbraw/zinc/75/18/91/1067751891.db2.gz KMHIINPYZQUADH-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN Cc1cccc(N2N=C(C(=O)Oc3ccc(Br)c(C(F)(F)F)c3)CCC2=O)c1 ZINC001460950445 1067752205 /nfs/dbraw/zinc/75/22/05/1067752205.db2.gz UWXRKNFZJKXTQV-UHFFFAOYSA-N 0 0 455.230 4.865 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Oc3ccc(Br)c(C(F)(F)F)c3)c2)o1 ZINC001460950264 1067752356 /nfs/dbraw/zinc/75/23/56/1067752356.db2.gz SXSSSPDNODBEGT-UHFFFAOYSA-N 0 0 457.202 4.884 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(Cl)cc(Br)c2)CC2(CCC2)C1 ZINC001460953178 1067753056 /nfs/dbraw/zinc/75/30/56/1067753056.db2.gz QPXBKGGUJBCMDB-UHFFFAOYSA-N 0 0 457.796 4.946 20 0 JJADRN C/C(=C\C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1OC(F)F ZINC001460952768 1067753140 /nfs/dbraw/zinc/75/31/40/1067753140.db2.gz NTHBZVQDXVZKRU-RUMSDORHSA-N 0 0 452.420 4.653 20 0 JJADRN C[C@@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1cccc(Br)c1 ZINC001460953285 1067753218 /nfs/dbraw/zinc/75/32/18/1067753218.db2.gz PIMSIMWOULRDCI-RISCZKNCSA-N 0 0 453.299 4.515 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)[C@H](C)c2ccc(I)cc2)c1 ZINC001460956634 1067753583 /nfs/dbraw/zinc/75/35/83/1067753583.db2.gz ONPDSJYYTJSNIS-GFCCVEGCSA-N 0 0 458.137 4.782 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Cl)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975292 1067754992 /nfs/dbraw/zinc/75/49/92/1067754992.db2.gz FYPAKMYCBAVVIM-YLJYHZDGSA-N 0 0 451.007 4.961 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)c(C)c32)c1 ZINC001460974630 1067755114 /nfs/dbraw/zinc/75/51/14/1067755114.db2.gz YMWHEAGLAOMGKX-UHFFFAOYSA-N 0 0 452.551 4.942 20 0 JJADRN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460974719 1067755542 /nfs/dbraw/zinc/75/55/42/1067755542.db2.gz PCNJTLOXEOSRAF-BIFSNJIPSA-N 0 0 454.970 4.710 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCc3cc(CC)ccc3C2)sc2c1CC[C@H](C)C2 ZINC001460979826 1067756148 /nfs/dbraw/zinc/75/61/48/1067756148.db2.gz VDSZDGAMLXFQPK-DLBZAZTESA-N 0 0 454.636 4.997 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)C1)OCc1ccccc1 ZINC001460982671 1067756522 /nfs/dbraw/zinc/75/65/22/1067756522.db2.gz XEZCLJNURMFUFE-MAEOIBBWSA-N 0 0 452.898 4.566 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982892 1067756876 /nfs/dbraw/zinc/75/68/76/1067756876.db2.gz SCNFWOZDKZANEZ-NQIIRXRSSA-N 0 0 457.615 4.623 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)c1cnn(-c2ccccc2)c1C1CC1 ZINC001460984237 1067757326 /nfs/dbraw/zinc/75/73/26/1067757326.db2.gz ATCFCEJCGCZFIW-UHFFFAOYSA-N 0 0 454.250 4.523 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)c1ccc(C2SCCS2)cc1 ZINC001460987359 1067758117 /nfs/dbraw/zinc/75/81/17/1067758117.db2.gz HUYWAKHRGNVUTG-UHFFFAOYSA-N 0 0 452.321 4.939 20 0 JJADRN Cc1cc(C)c(COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(OCc2ccccc2)n1 ZINC001460995382 1067759302 /nfs/dbraw/zinc/75/93/02/1067759302.db2.gz JSLAGXQMKUVKIG-HSZRJFAPSA-N 0 0 458.558 4.991 20 0 JJADRN Cc1nc(COc2cccc(C(=O)OCc3c(C)cc(C)nc3OCc3ccccc3)c2)no1 ZINC001460993553 1067759379 /nfs/dbraw/zinc/75/93/79/1067759379.db2.gz DNEZQCIWUCXWKH-UHFFFAOYSA-N 0 0 459.502 4.905 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC001460996073 1067759782 /nfs/dbraw/zinc/75/97/82/1067759782.db2.gz VMQJHHFVYQSEML-HNNXBMFYSA-N 0 0 454.518 4.845 20 0 JJADRN COC1([C@@H](C)NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCOCC1 ZINC001460997396 1067760194 /nfs/dbraw/zinc/76/01/94/1067760194.db2.gz RBYQCIXCMGOQPD-LJQANCHMSA-N 0 0 454.998 4.976 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001461004585 1067760994 /nfs/dbraw/zinc/76/09/94/1067760994.db2.gz AJOKJSRHEFCITA-UHFFFAOYSA-N 0 0 454.683 4.872 20 0 JJADRN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc(C(F)(F)F)no1 ZINC001461009240 1067761625 /nfs/dbraw/zinc/76/16/25/1067761625.db2.gz LLJSNFIZKPGMJJ-NSHDSACASA-N 0 0 453.852 4.687 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccc(Br)cc2)CCC1 ZINC001546120820 1067761863 /nfs/dbraw/zinc/76/18/63/1067761863.db2.gz ATHKYTYZIRAKKO-UHFFFAOYSA-N 0 0 474.447 4.536 20 0 JJADRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001461013136 1067762086 /nfs/dbraw/zinc/76/20/86/1067762086.db2.gz UOCAQUUOPIGELU-UHFFFAOYSA-N 0 0 450.442 4.901 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)Nc3nsc(Cc4ccc(F)cc4)n3)c2c1C ZINC001461016193 1067762483 /nfs/dbraw/zinc/76/24/83/1067762483.db2.gz HUXXMSRSRPIWTH-UHFFFAOYSA-N 0 0 459.597 4.929 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCCc2ccc(OC)cc2)CCCC1 ZINC001546120875 1067762920 /nfs/dbraw/zinc/76/29/20/1067762920.db2.gz CEQXBBSKKWVRSY-UHFFFAOYSA-N 0 0 453.631 4.562 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F ZINC001461024158 1067763938 /nfs/dbraw/zinc/76/39/38/1067763938.db2.gz CQDQACZFPPJPPT-SUMWQHHRSA-N 0 0 458.402 4.520 20 0 JJADRN O=C(Nc1ncc(-c2cnccn2)s1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001461025288 1067764315 /nfs/dbraw/zinc/76/43/15/1067764315.db2.gz SQCIUTBEPGOZQT-UHFFFAOYSA-N 0 0 454.309 4.802 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001461025901 1067764326 /nfs/dbraw/zinc/76/43/26/1067764326.db2.gz MLBALQKNVXZYOR-SJORKVTESA-N 0 0 452.580 4.578 20 0 JJADRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001461025896 1067764351 /nfs/dbraw/zinc/76/43/51/1067764351.db2.gz MLBALQKNVXZYOR-DLBZAZTESA-N 0 0 452.580 4.578 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001461029469 1067765226 /nfs/dbraw/zinc/76/52/26/1067765226.db2.gz FREUXYRWHKTSQU-UHFFFAOYSA-N 0 0 453.745 4.615 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)c12 ZINC001461031160 1067765502 /nfs/dbraw/zinc/76/55/02/1067765502.db2.gz WQUZYWHSKHFUFL-HOCLYGCPSA-N 0 0 454.596 4.588 20 0 JJADRN Cc1ccc2c(c1)CCN(C(=O)c1cccc(Br)c1I)C2 ZINC001461029995 1067765609 /nfs/dbraw/zinc/76/56/09/1067765609.db2.gz JRNDSUUICCJIPR-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)nn1CC(F)(F)F ZINC001461034125 1067766274 /nfs/dbraw/zinc/76/62/74/1067766274.db2.gz VUXXVDIKTNBLNR-UHFFFAOYSA-N 0 0 451.449 4.913 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]3C)c2)n1 ZINC001461036461 1067766590 /nfs/dbraw/zinc/76/65/90/1067766590.db2.gz HKQZGKDBAMOODU-FHJLPGHOSA-N 0 0 454.615 4.560 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1Cl ZINC001461036907 1067767001 /nfs/dbraw/zinc/76/70/01/1067767001.db2.gz HVKBCAZTDAIYFL-RYRKJORJSA-N 0 0 454.011 4.781 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)CCCC1 ZINC001546121027 1067768538 /nfs/dbraw/zinc/76/85/38/1067768538.db2.gz ICUGJDQQWLVJCN-UHFFFAOYSA-N 0 0 491.583 4.731 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)CCc2cc(Br)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461044035 1067768585 /nfs/dbraw/zinc/76/85/85/1067768585.db2.gz VQYXKVWWACCWRC-ILXRZTDVSA-N 0 0 459.450 4.841 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001461048094 1067769185 /nfs/dbraw/zinc/76/91/85/1067769185.db2.gz GXVIZGVXBKHMCX-UHFFFAOYSA-N 0 0 457.979 4.988 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461049534 1067769237 /nfs/dbraw/zinc/76/92/37/1067769237.db2.gz FRGARXZMZWCYTI-XBYSBRQOSA-N 0 0 470.407 4.823 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461047886 1067769255 /nfs/dbraw/zinc/76/92/55/1067769255.db2.gz FCYYZCRBMQDZRY-RBUKOAKNSA-N 0 0 469.450 4.968 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C2(c3c(F)cccc3F)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC001461048308 1067769326 /nfs/dbraw/zinc/76/93/26/1067769326.db2.gz CUDHHADSPVXDDE-DLBZAZTESA-N 0 0 478.333 4.564 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(Oc3ccccc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461047931 1067769340 /nfs/dbraw/zinc/76/93/40/1067769340.db2.gz FQKBYMYYCQADNE-XZOQPEGZSA-N 0 0 467.468 4.551 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)/C=C(/C)c2ccccc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001461049668 1067769675 /nfs/dbraw/zinc/76/96/75/1067769675.db2.gz IFTLUDUTUWRVAX-ANIPCXSSSA-N 0 0 462.771 4.921 20 0 JJADRN CCCC(=O)Nc1cccc(CNCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461051308 1067769886 /nfs/dbraw/zinc/76/98/86/1067769886.db2.gz QAODMPSJBXQZBL-HXUWFJFHSA-N 0 0 455.599 4.866 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccccc2COC(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC001461051963 1067770308 /nfs/dbraw/zinc/77/03/08/1067770308.db2.gz NYJWTAFLYJVFGQ-LEWJYISDSA-N 0 0 474.395 4.793 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)CSc2ccc(F)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001461052007 1067770350 /nfs/dbraw/zinc/77/03/50/1067770350.db2.gz OJIZXKHTWXPXHM-PNHOKKKMSA-N 0 0 480.399 4.732 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)CCCc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461052469 1067770377 /nfs/dbraw/zinc/77/03/77/1067770377.db2.gz PNAYFPUWZFKXSS-BULFRSBZSA-N 0 0 458.396 4.823 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H]1C(=O)OC(C)(C)C ZINC001461058100 1067771715 /nfs/dbraw/zinc/77/17/15/1067771715.db2.gz JYGGGJODOXKFGG-DNVCBOLYSA-N 0 0 451.405 4.632 20 0 JJADRN CC(C)(C)n1cc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c(Br)n1 ZINC001461058920 1067772187 /nfs/dbraw/zinc/77/21/87/1067772187.db2.gz PMMXHCUSWCMVBW-UHFFFAOYSA-N 0 0 451.434 4.756 20 0 JJADRN CC(C)COc1cccc(OCC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001461059446 1067772463 /nfs/dbraw/zinc/77/24/63/1067772463.db2.gz FNMYUFPZNKUORA-FQEVSTJZSA-N 0 0 454.567 4.583 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001461061132 1067773182 /nfs/dbraw/zinc/77/31/82/1067773182.db2.gz VTAVFBKLSRMJQG-VGOFRKELSA-N 0 0 454.542 4.969 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)c2ccccc2c1=O ZINC001461061527 1067773252 /nfs/dbraw/zinc/77/32/52/1067773252.db2.gz XBTVBJXQBWDKFX-XMSQKQJNSA-N 0 0 455.599 4.559 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001461062628 1067773481 /nfs/dbraw/zinc/77/34/81/1067773481.db2.gz IFKGLZCCFHTBAC-JOCHJYFZSA-N 0 0 459.546 4.757 20 0 JJADRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001461063830 1067773534 /nfs/dbraw/zinc/77/35/34/1067773534.db2.gz RXZMMOLYWHWSPB-GDLZYMKVSA-N 0 0 453.347 4.761 20 0 JJADRN Cc1c(F)cc(Cl)c2c1CCCN2C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC001461062025 1067773577 /nfs/dbraw/zinc/77/35/77/1067773577.db2.gz MPJVWFGHXCOXRR-JOCHJYFZSA-N 0 0 455.961 4.932 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNc1cccc(CN2CCCC2=O)c1 ZINC001461065629 1067774531 /nfs/dbraw/zinc/77/45/31/1067774531.db2.gz NRJVMNREFVXUOK-UHFFFAOYSA-N 0 0 453.384 4.986 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CCS1 ZINC001546121284 1067775033 /nfs/dbraw/zinc/77/50/33/1067775033.db2.gz RMAVGPFLLJJDAQ-KBMIEXCESA-N 0 0 474.671 4.529 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(Cl)c(I)c1)C(C)(C)C ZINC001461068146 1067775289 /nfs/dbraw/zinc/77/52/89/1067775289.db2.gz RTELNFRJYDLDPW-CYBMUJFWSA-N 0 0 451.732 4.887 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(F)cc2)CCS1 ZINC001546121337 1067775730 /nfs/dbraw/zinc/77/57/30/1067775730.db2.gz UHVMKMDPPHJDGX-BVSLBCMMSA-N 0 0 492.661 4.641 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(Cl)cc(I)c1 ZINC001461074945 1067776659 /nfs/dbraw/zinc/77/66/59/1067776659.db2.gz IYWKGRLLTODZOO-LBPRGKRZSA-N 0 0 455.723 4.517 20 0 JJADRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CNc1ccc(N2CCOCC2)cn1 ZINC001461075473 1067776693 /nfs/dbraw/zinc/77/66/93/1067776693.db2.gz MNIPBRHMUZQKED-UHFFFAOYSA-N 0 0 456.388 4.602 20 0 JJADRN Cc1nc(Cl)c(Cl)cc1C(=O)NCc1cc(Cl)cc(I)c1 ZINC001461074835 1067776723 /nfs/dbraw/zinc/77/67/23/1067776723.db2.gz HOLOCVCCZRSNMB-UHFFFAOYSA-N 0 0 455.510 4.885 20 0 JJADRN Cc1cc(OC(F)F)c(C(=O)NCc2cc(Cl)cc(I)c2)s1 ZINC001461077289 1067777132 /nfs/dbraw/zinc/77/71/32/1067777132.db2.gz YBIQIUZVRBNPSS-UHFFFAOYSA-N 0 0 457.667 4.846 20 0 JJADRN O=C(OCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001461080412 1067777617 /nfs/dbraw/zinc/77/76/17/1067777617.db2.gz RSCFUYPCOQOMPO-UHFFFAOYSA-N 0 0 453.416 4.901 20 0 JJADRN COc1ccc(NCc2c[nH]nc2-c2ccc(Br)cc2)cc1N1CCCCC1=O ZINC001461080797 1067777714 /nfs/dbraw/zinc/77/77/14/1067777714.db2.gz NAKDSEMTTVOSCE-UHFFFAOYSA-N 0 0 455.356 4.977 20 0 JJADRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461085452 1067778655 /nfs/dbraw/zinc/77/86/55/1067778655.db2.gz FPMXNZPIPNRIRY-RBUKOAKNSA-N 0 0 459.775 4.921 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461087294 1067779504 /nfs/dbraw/zinc/77/95/04/1067779504.db2.gz NFWUWCYRXCCCDP-UHFFFAOYSA-N 0 0 453.262 4.797 20 0 JJADRN O=C(c1csc(-c2ccoc2)n1)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461088026 1067779535 /nfs/dbraw/zinc/77/95/35/1067779535.db2.gz SJFKNQBFRBSGJI-UHFFFAOYSA-N 0 0 455.337 4.845 20 0 JJADRN Cc1ccc2c(c1)CC[C@H](C(=O)N(CCc1ccccn1)c1ccc(Br)cn1)O2 ZINC001461089276 1067779880 /nfs/dbraw/zinc/77/98/80/1067779880.db2.gz XGVXCOXPNZKPIA-OAQYLSRUSA-N 0 0 452.352 4.517 20 0 JJADRN CC(C)COc1cccc(C(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)c1 ZINC001461089904 1067779892 /nfs/dbraw/zinc/77/98/92/1067779892.db2.gz YOPIMGPJJJLEFO-UHFFFAOYSA-N 0 0 457.372 4.813 20 0 JJADRN CC(C)(C)Oc1cccc(C(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)c1 ZINC001461089767 1067779919 /nfs/dbraw/zinc/77/99/19/1067779919.db2.gz WYLMKJXTHWRROG-UHFFFAOYSA-N 0 0 457.372 4.955 20 0 JJADRN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(Br)cnc1Br ZINC001461090770 1067780150 /nfs/dbraw/zinc/78/01/50/1067780150.db2.gz DEXYBENOPOKISI-SFHVURJKSA-N 0 0 456.153 4.983 20 0 JJADRN O=C1C[C@H](NCc2c(F)cncc2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461092932 1067780568 /nfs/dbraw/zinc/78/05/68/1067780568.db2.gz BCZUYGWJWOOFIZ-HNNXBMFYSA-N 0 0 456.315 4.671 20 0 JJADRN CCC1(CC)CCc2nc(NC(=O)[C@@]3(CNC(=O)OC(C)(C)C)CCCOC3)sc2C1 ZINC001461097965 1067781593 /nfs/dbraw/zinc/78/15/93/1067781593.db2.gz XLKOCWGIHPJSJJ-HSZRJFAPSA-N 0 0 451.633 4.698 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2oc3ccccc3c2Br)cc1 ZINC001461100434 1067782003 /nfs/dbraw/zinc/78/20/03/1067782003.db2.gz VYMKSKDTJGTTLV-UHFFFAOYSA-N 0 0 451.386 4.514 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC001461104419 1067782722 /nfs/dbraw/zinc/78/27/22/1067782722.db2.gz GQRPORBSTBFHSZ-UHFFFAOYSA-N 0 0 452.414 4.768 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001461107955 1067783036 /nfs/dbraw/zinc/78/30/36/1067783036.db2.gz VOGSEBMMTACPCN-UHFFFAOYSA-N 0 0 450.878 4.600 20 0 JJADRN C[C@H](NC(=O)c1cc2sc(Br)cc2s1)c1ccc(N2CCNC2=O)cc1 ZINC001461106790 1067783082 /nfs/dbraw/zinc/78/30/82/1067783082.db2.gz VAOZJSBFNHDZSF-JTQLQIEISA-N 0 0 450.383 4.746 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)OCc1cc(F)cc(N2CCOCC2)c1 ZINC001461107344 1067783114 /nfs/dbraw/zinc/78/31/14/1067783114.db2.gz MHPGXKCDNQXPNO-UHFFFAOYSA-N 0 0 454.361 4.650 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@H]1COc2ccc(Br)cc21 ZINC001461110212 1067783703 /nfs/dbraw/zinc/78/37/03/1067783703.db2.gz BDXXIFJFFGZAEG-YVEFUNNKSA-N 0 0 457.221 4.965 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001461121137 1067785269 /nfs/dbraw/zinc/78/52/69/1067785269.db2.gz SIEDNZWJLSSHBG-WQTXXOFMSA-N 0 0 461.375 4.714 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c(Cl)c1 ZINC001461122329 1067785583 /nfs/dbraw/zinc/78/55/83/1067785583.db2.gz KKZLKIWJUGFNJV-KFWWJZLASA-N 0 0 453.967 4.767 20 0 JJADRN Cc1nc(-c2cc(NC(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)cc(C(F)(F)F)c2)n[nH]1 ZINC001461122489 1067785734 /nfs/dbraw/zinc/78/57/34/1067785734.db2.gz YNMXLUBCSUOQMD-QGZVFWFLSA-N 0 0 455.843 4.833 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c(Cl)c1 ZINC001461122330 1067785743 /nfs/dbraw/zinc/78/57/43/1067785743.db2.gz KKZLKIWJUGFNJV-QLFBSQMISA-N 0 0 453.967 4.767 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)CC1(C)C ZINC001461124588 1067785990 /nfs/dbraw/zinc/78/59/90/1067785990.db2.gz KWNKJUIEDWOEBP-IBGZPJMESA-N 0 0 452.374 4.664 20 0 JJADRN O=C(Nc1ccc(CNCc2cccc(F)c2I)cc1)c1ccco1 ZINC001461124507 1067786023 /nfs/dbraw/zinc/78/60/23/1067786023.db2.gz YARIRMBEUUBYRQ-UHFFFAOYSA-N 0 0 450.251 4.565 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]3C)c2)cs1 ZINC001461125104 1067786040 /nfs/dbraw/zinc/78/60/40/1067786040.db2.gz PZNGXJRHIDBUNG-BRWVUGGUSA-N 0 0 459.612 4.889 20 0 JJADRN O=C(NCC[C@H]1CSc2ccccc2O1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001461125073 1067786116 /nfs/dbraw/zinc/78/61/16/1067786116.db2.gz BQMHKMSONAPMEK-KRWDZBQOSA-N 0 0 450.482 4.505 20 0 JJADRN Cc1ccc(-c2ncc(CNc3cc(-c4ccc(Br)cc4)nn3CCO)s2)o1 ZINC001461140208 1067787831 /nfs/dbraw/zinc/78/78/31/1067787831.db2.gz MHXLMABDLUZHGN-UHFFFAOYSA-N 0 0 459.369 4.942 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC001461155129 1067790324 /nfs/dbraw/zinc/79/03/24/1067790324.db2.gz DUPWWIFHMNFUTR-FNZWTVRRSA-N 0 0 454.542 4.668 20 0 JJADRN C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(F)cc1F ZINC001461165941 1067791631 /nfs/dbraw/zinc/79/16/31/1067791631.db2.gz HURNHYRRNVZKGM-KOSHJBKYSA-N 0 0 453.485 4.513 20 0 JJADRN C[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(F)cc1F ZINC001461165948 1067791669 /nfs/dbraw/zinc/79/16/69/1067791669.db2.gz HURNHYRRNVZKGM-UUOWRZLLSA-N 0 0 453.485 4.513 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](COCc2ccccc2)C(=O)OCc2ccccc2)cc1C ZINC001461166080 1067791720 /nfs/dbraw/zinc/79/17/20/1067791720.db2.gz JIVGEOWCNIZHBK-OYUWMTPXSA-N 0 0 457.570 4.852 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(Br)ccc1I ZINC001461164111 1067791782 /nfs/dbraw/zinc/79/17/82/1067791782.db2.gz YATJYNXQGPCCRD-JSGCOSHPSA-N 0 0 456.121 4.587 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CCCC1 ZINC001546122160 1067792046 /nfs/dbraw/zinc/79/20/46/1067792046.db2.gz AIGNRPJSIDNARN-UHFFFAOYSA-N 0 0 494.596 4.690 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)N1CCCC1 ZINC001461167610 1067792087 /nfs/dbraw/zinc/79/20/87/1067792087.db2.gz PCOPMUWSCCHCIG-QHCPKHFHSA-N 0 0 450.970 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC001461169409 1067792121 /nfs/dbraw/zinc/79/21/21/1067792121.db2.gz GOOWFEAUMMOBQY-NVQXNPDNSA-N 0 0 453.558 4.695 20 0 JJADRN CS[C@@H](C(=O)N(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001461171260 1067792317 /nfs/dbraw/zinc/79/23/17/1067792317.db2.gz QKPYNXYCOKBMCC-JOCHJYFZSA-N 0 0 455.624 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)CCCOc2ccccc2)CC1 ZINC001461172460 1067792674 /nfs/dbraw/zinc/79/26/74/1067792674.db2.gz UMGHIMMJXGQMRP-UHFFFAOYSA-N 0 0 453.583 4.669 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)C2 ZINC001461179885 1067793834 /nfs/dbraw/zinc/79/38/34/1067793834.db2.gz CCEVWIKKWBYBDZ-LJQANCHMSA-N 0 0 450.457 4.822 20 0 JJADRN COc1ccc(Br)c(CNCc2ccc(OCCn3ccnc3)c(Cl)c2)c1 ZINC001461181923 1067794265 /nfs/dbraw/zinc/79/42/65/1067794265.db2.gz ALFXQRZKHURLTD-UHFFFAOYSA-N 0 0 450.764 4.676 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001461184205 1067794725 /nfs/dbraw/zinc/79/47/25/1067794725.db2.gz MPRXQTUVZPIZJK-UHFFFAOYSA-N 0 0 455.271 4.839 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccnc2Cl)ns1 ZINC001461186556 1067795349 /nfs/dbraw/zinc/79/53/49/1067795349.db2.gz HTFAYWRAPBTWJG-UHFFFAOYSA-N 0 0 452.923 4.850 20 0 JJADRN Cc1c(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)cnn1-c1cccc(Br)c1 ZINC001461188754 1067795997 /nfs/dbraw/zinc/79/59/97/1067795997.db2.gz HXTKWIFAROXMHQ-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001461188973 1067796033 /nfs/dbraw/zinc/79/60/33/1067796033.db2.gz CDPNFHNDDIUTSA-OAHLLOKOSA-N 0 0 454.445 4.709 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2=O)cc1 ZINC001461194742 1067797245 /nfs/dbraw/zinc/79/72/45/1067797245.db2.gz SVYHWIRQEZVKRR-OZROYSPXSA-N 0 0 456.627 4.501 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)C2)c1 ZINC001461197807 1067797597 /nfs/dbraw/zinc/79/75/97/1067797597.db2.gz TXSMRYCTLXCKTP-DWQJTFDBSA-N 0 0 470.654 4.664 20 0 JJADRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001461198761 1067797765 /nfs/dbraw/zinc/79/77/65/1067797765.db2.gz OJPJFDINNCKVTE-UHFFFAOYSA-N 0 0 457.330 4.624 20 0 JJADRN CC(C)[C@@H](CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C ZINC001461198683 1067797959 /nfs/dbraw/zinc/79/79/59/1067797959.db2.gz VYXTYJWGYSMQNM-GOSISDBHSA-N 0 0 453.004 4.648 20 0 JJADRN COC[C@@H](CC(C)(C)C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001461207554 1067799342 /nfs/dbraw/zinc/79/93/42/1067799342.db2.gz VKJLUGRLEIEQKO-AQNXPRMDSA-N 0 0 453.023 4.858 20 0 JJADRN COC[C@H](CC(C)(C)C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001461207558 1067799453 /nfs/dbraw/zinc/79/94/53/1067799453.db2.gz VKJLUGRLEIEQKO-ZCNNSNEGSA-N 0 0 453.023 4.858 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001461214480 1067800871 /nfs/dbraw/zinc/80/08/71/1067800871.db2.gz DEIYJHNZQBBPCJ-OALUTQOASA-N 0 0 455.860 4.566 20 0 JJADRN COc1cc(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc(Cl)c1OC ZINC001461221849 1067802719 /nfs/dbraw/zinc/80/27/19/1067802719.db2.gz FMVVGKLSUSIVMN-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN COc1ccccc1[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1noc(C)n1 ZINC001461224035 1067803547 /nfs/dbraw/zinc/80/35/47/1067803547.db2.gz SUFLWVIISIRMJO-OAQYLSRUSA-N 0 0 457.456 4.529 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 ZINC001461226720 1067804385 /nfs/dbraw/zinc/80/43/85/1067804385.db2.gz ZTATUOGVDCITTC-CQSZACIVSA-N 0 0 456.764 4.954 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cnnn1-c1ccccc1Cl ZINC001461228828 1067804845 /nfs/dbraw/zinc/80/48/45/1067804845.db2.gz MUUYTAUSLVMBJR-UHFFFAOYSA-N 0 0 450.848 4.671 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)CCCC1 ZINC001546122656 1067806837 /nfs/dbraw/zinc/80/68/37/1067806837.db2.gz SDHIVSYUPIPOIM-UHFFFAOYSA-N 0 0 467.658 4.615 20 0 JJADRN Cc1ccc(-n2ccc(NC(=O)c3cc(C)c(Cl)cc3I)n2)cc1 ZINC001461238268 1067806849 /nfs/dbraw/zinc/80/68/49/1067806849.db2.gz HITTUGWHMUIBQM-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461241630 1067807991 /nfs/dbraw/zinc/80/79/91/1067807991.db2.gz HHPYZZIZHLZPBD-UHFFFAOYSA-N 0 0 454.436 4.848 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)c1C ZINC001461245818 1067808552 /nfs/dbraw/zinc/80/85/52/1067808552.db2.gz MWWXMXSUXWXWRK-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461247475 1067808782 /nfs/dbraw/zinc/80/87/82/1067808782.db2.gz UYRBUUTZUJKJLW-INIZCTEOSA-N 0 0 450.423 4.659 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cc(F)c(F)cc1I ZINC001461246483 1067808845 /nfs/dbraw/zinc/80/88/45/1067808845.db2.gz QQPDHPXDNWNTBU-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN CCCc1nc(C(=O)OCc2ncc(Br)cc2Cl)nn1-c1ccccc1F ZINC001461252103 1067810353 /nfs/dbraw/zinc/81/03/53/1067810353.db2.gz AYNKNFOOTLYMCP-UHFFFAOYSA-N 0 0 453.699 4.527 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)OCc1ncc(Br)cc1Cl ZINC001461255970 1067811354 /nfs/dbraw/zinc/81/13/54/1067811354.db2.gz OUFCPTKFPWMEQF-VIFPVBQESA-N 0 0 453.642 4.888 20 0 JJADRN CC1(C)Cc2cc(CN[C@@H](c3cccc(S(C)(=O)=O)c3)c3ccc(F)c(F)c3)ccc2O1 ZINC001461259990 1067812510 /nfs/dbraw/zinc/81/25/10/1067812510.db2.gz PZODTLYXMYIAGE-DEOSSOPVSA-N 0 0 457.542 4.961 20 0 JJADRN COc1cc(C(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)cc(OC)c1C(C)C ZINC001461262825 1067813465 /nfs/dbraw/zinc/81/34/65/1067813465.db2.gz HAJAOWCGGGUCNP-UHFFFAOYSA-N 0 0 459.344 4.555 20 0 JJADRN Clc1ccc2c(c1Cl)OC[C@H]2NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461265342 1067813895 /nfs/dbraw/zinc/81/38/95/1067813895.db2.gz OGWCIMKRNGHZSY-GOSISDBHSA-N 0 0 457.785 4.581 20 0 JJADRN O=C(CCSc1cccc(Cl)c1)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461264247 1067814121 /nfs/dbraw/zinc/81/41/21/1067814121.db2.gz KMHNMLGRPMNJBH-UHFFFAOYSA-N 0 0 451.777 4.936 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC001461280037 1067816979 /nfs/dbraw/zinc/81/69/79/1067816979.db2.gz BVPFSJUMMGINJL-IRXDYDNUSA-N 0 0 452.498 4.879 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)nc1 ZINC001461281410 1067817084 /nfs/dbraw/zinc/81/70/84/1067817084.db2.gz FTCUHIKUZHGOHR-QUCCMNQESA-N 0 0 453.539 4.729 20 0 JJADRN O=C(NCc1ccc(-c2nncnn2)cc1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001461285447 1067818169 /nfs/dbraw/zinc/81/81/69/1067818169.db2.gz KQRCLVMRYFOAGK-UHFFFAOYSA-N 0 0 452.301 4.963 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001461287136 1067818471 /nfs/dbraw/zinc/81/84/71/1067818471.db2.gz GKYQIFJPHZTLKB-NVXWUHKLSA-N 0 0 455.521 4.823 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC001461289823 1067819448 /nfs/dbraw/zinc/81/94/48/1067819448.db2.gz NWNYTVJXUSELHR-FQEVSTJZSA-N 0 0 453.970 4.984 20 0 JJADRN CN(C)c1ccc(C(F)(F)F)cc1NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461292876 1067820147 /nfs/dbraw/zinc/82/01/47/1067820147.db2.gz LLSRDIKVRUUFSD-UHFFFAOYSA-N 0 0 457.924 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1nccc(Br)c1Cl ZINC001461293572 1067820179 /nfs/dbraw/zinc/82/01/79/1067820179.db2.gz KNVRHLFFSRZZHS-AWEZNQCLSA-N 0 0 456.724 4.564 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cccc(C(=O)N2CCSCC2)c1 ZINC001461295310 1067820752 /nfs/dbraw/zinc/82/07/52/1067820752.db2.gz NYNKOYHRGJPKAT-UHFFFAOYSA-N 0 0 458.990 4.833 20 0 JJADRN CCOc1cc(CNc2ccc(OCC(F)(F)F)c(C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461297088 1067821221 /nfs/dbraw/zinc/82/12/21/1067821221.db2.gz MUGWAWHUOGESBI-INIZCTEOSA-N 0 0 454.489 4.802 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)c3ccccc3)ccc1Cl)CC2 ZINC001461299297 1067821845 /nfs/dbraw/zinc/82/18/45/1067821845.db2.gz CVLUJMAZZXSMSK-QHCPKHFHSA-N 0 0 454.979 4.891 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)c3ccsc3)[C@@H]2c2ccccc2OC)cc1 ZINC001461302614 1067823287 /nfs/dbraw/zinc/82/32/87/1067823287.db2.gz XIBNVRJOAIWBDT-URXFXBBRSA-N 0 0 450.560 4.913 20 0 JJADRN COCCN(C(=O)c1csc2ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461312896 1067825950 /nfs/dbraw/zinc/82/59/50/1067825950.db2.gz VKWQNEGTIBDTAP-UHFFFAOYSA-N 0 0 452.576 4.791 20 0 JJADRN Cc1cc(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461313366 1067826043 /nfs/dbraw/zinc/82/60/43/1067826043.db2.gz BPTGMBVINGMFOJ-NRFANRHFSA-N 0 0 452.477 4.785 20 0 JJADRN Cc1cc(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461315141 1067826353 /nfs/dbraw/zinc/82/63/53/1067826353.db2.gz JIJRKLSNNPZIEZ-UHFFFAOYSA-N 0 0 455.440 4.629 20 0 JJADRN CC(C)(C(=O)Nc1ccc2c(c1)CCCCC2)S(=O)(=O)c1ccc(Br)cc1 ZINC001461316304 1067826483 /nfs/dbraw/zinc/82/64/83/1067826483.db2.gz NVQJFUZLWIEJAX-UHFFFAOYSA-N 0 0 450.398 4.909 20 0 JJADRN CCc1noc(-c2ccc(C)c(NCc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)n1 ZINC001461319551 1067827155 /nfs/dbraw/zinc/82/71/55/1067827155.db2.gz XEISFSPEQYIECA-UHFFFAOYSA-N 0 0 455.584 4.969 20 0 JJADRN CC1(C)Oc2ccc(NCc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)cc2O1 ZINC001461319960 1067827683 /nfs/dbraw/zinc/82/76/83/1067827683.db2.gz BJUCNIBTWBBSGZ-UHFFFAOYSA-N 0 0 453.366 4.824 20 0 JJADRN Cc1ccc(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c(OCC(=O)N(C)C)c1 ZINC001461325261 1067828440 /nfs/dbraw/zinc/82/84/40/1067828440.db2.gz SNYJFVFEIXCDOR-UHFFFAOYSA-N 0 0 458.562 4.609 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Oc1cc(C(N)=O)ccc1Br ZINC001461325322 1067828535 /nfs/dbraw/zinc/82/85/35/1067828535.db2.gz JZGDOJPCZYDKKL-UHFFFAOYSA-N 0 0 457.758 4.914 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c2c1CCC2 ZINC001461324754 1067828595 /nfs/dbraw/zinc/82/85/95/1067828595.db2.gz FXRWTLBFOKJCHR-NDEPHWFRSA-N 0 0 459.590 4.699 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001461325298 1067828745 /nfs/dbraw/zinc/82/87/45/1067828745.db2.gz JTHPHCPXIFZDKV-RUZDIDTESA-N 0 0 458.986 4.964 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)Oc1cc(C(N)=O)ccc1Br ZINC001461326548 1067828966 /nfs/dbraw/zinc/82/89/66/1067828966.db2.gz WSCYSZJAZBYDNS-UHFFFAOYSA-N 0 0 456.292 4.958 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461326852 1067829111 /nfs/dbraw/zinc/82/91/11/1067829111.db2.gz XXUUPLVLOXKZLC-QMHKHESXSA-N 0 0 451.485 4.889 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)cc2)c(F)c1 ZINC001461327973 1067829898 /nfs/dbraw/zinc/82/98/98/1067829898.db2.gz AJCUEULAISCGAZ-UHFFFAOYSA-N 0 0 456.436 4.722 20 0 JJADRN Cc1c(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cnn1-c1ccc(F)cc1 ZINC001461331128 1067831037 /nfs/dbraw/zinc/83/10/37/1067831037.db2.gz NDJXJOUEGKANOK-UHFFFAOYSA-N 0 0 459.518 4.574 20 0 JJADRN CSc1ccnc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)n1 ZINC001461336255 1067831192 /nfs/dbraw/zinc/83/11/92/1067831192.db2.gz NDSRCQPDHHUDID-UHFFFAOYSA-N 0 0 453.877 4.797 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001461335351 1067831258 /nfs/dbraw/zinc/83/12/58/1067831258.db2.gz UVDIAOROICLQLA-DNVCBOLYSA-N 0 0 451.539 4.550 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001461334941 1067831399 /nfs/dbraw/zinc/83/13/99/1067831399.db2.gz NEMXGXVFNYPULK-GDFOLFDLSA-N 0 0 477.649 4.608 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)c1Cl ZINC001461339758 1067833189 /nfs/dbraw/zinc/83/31/89/1067833189.db2.gz AGJPODTVORKKPL-UHFFFAOYSA-N 0 0 458.363 4.995 20 0 JJADRN COc1cc(CNCc2nnc(-c3ccccc3)s2)cc(Br)c1OC(F)F ZINC001461346645 1067835522 /nfs/dbraw/zinc/83/55/22/1067835522.db2.gz RPRVYDNERYKDCV-UHFFFAOYSA-N 0 0 456.312 4.867 20 0 JJADRN COc1ccc2nc(CNCc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)sc2c1 ZINC001461347988 1067835547 /nfs/dbraw/zinc/83/55/47/1067835547.db2.gz UZVDYRVMCJUDRZ-UHFFFAOYSA-N 0 0 457.552 4.535 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)Nc1cc(C(F)F)ccc1F ZINC001461353256 1067836715 /nfs/dbraw/zinc/83/67/15/1067836715.db2.gz MBNJGCXTTGTMEW-UHFFFAOYSA-N 0 0 450.276 4.718 20 0 JJADRN COc1cc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3OC)c3ccccc3n2)cc(OC)c1OC ZINC001461353231 1067836748 /nfs/dbraw/zinc/83/67/48/1067836748.db2.gz LUCKVCGZGZIADD-IFMALSPDSA-N 0 0 450.535 4.615 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC001461354892 1067837374 /nfs/dbraw/zinc/83/73/74/1067837374.db2.gz DYOLGKVUTDADTO-QFIPXVFZSA-N 0 0 456.608 4.624 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC001461354889 1067837397 /nfs/dbraw/zinc/83/73/97/1067837397.db2.gz DYOLGKVUTDADTO-JOCHJYFZSA-N 0 0 456.608 4.624 20 0 JJADRN Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 ZINC001461357418 1067837627 /nfs/dbraw/zinc/83/76/27/1067837627.db2.gz LXZDYZAAZWTEJQ-UHFFFAOYSA-N 0 0 456.539 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2ccc(Br)cc2)C12CCCC2 ZINC001461358110 1067837744 /nfs/dbraw/zinc/83/77/44/1067837744.db2.gz CLSAFJWZWOBDCB-GOSISDBHSA-N 0 0 451.405 4.820 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)c(Cl)c1 ZINC001461358978 1067838135 /nfs/dbraw/zinc/83/81/35/1067838135.db2.gz NSVFMQYRMPNZGQ-LJQANCHMSA-N 0 0 457.918 4.753 20 0 JJADRN Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC001461361219 1067838329 /nfs/dbraw/zinc/83/83/29/1067838329.db2.gz SVHAXIRWWWKUMB-UHFFFAOYSA-N 0 0 453.514 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2cccc(OCC(F)(F)F)c2)C12CCCC2 ZINC001461365197 1067839517 /nfs/dbraw/zinc/83/95/17/1067839517.db2.gz RIBNEOFEPNLFAB-SFHVURJKSA-N 0 0 456.505 4.609 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC001461371148 1067840075 /nfs/dbraw/zinc/84/00/75/1067840075.db2.gz XUMZZIJWELHUQW-JXALWOEJSA-N 0 0 452.620 4.785 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)/C=C/c2ccc(I)o2)cc1 ZINC001461376826 1067841507 /nfs/dbraw/zinc/84/15/07/1067841507.db2.gz QDERVUQDLDKRQJ-YBHKSSGVSA-N 0 0 451.304 4.530 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461378894 1067841897 /nfs/dbraw/zinc/84/18/97/1067841897.db2.gz HGJGMVSVFPUMLA-CEXJFXJFSA-N 0 0 470.532 4.917 20 0 JJADRN O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCOc2cc(Br)ccc21 ZINC001461383357 1067843768 /nfs/dbraw/zinc/84/37/68/1067843768.db2.gz WLOPZXMOKSKIJG-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)C(F)(F)F ZINC001461387377 1067844604 /nfs/dbraw/zinc/84/46/04/1067844604.db2.gz MWYYDBYSAZOJSE-QGZVFWFLSA-N 0 0 452.454 4.734 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC001461392935 1067845558 /nfs/dbraw/zinc/84/55/58/1067845558.db2.gz XMHPZGHXSMVYDL-UHFFFAOYSA-N 0 0 450.560 4.729 20 0 JJADRN COc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc2c1O[C@H](C)C2 ZINC001461396419 1067845916 /nfs/dbraw/zinc/84/59/16/1067845916.db2.gz HHXSDYGFQWNHDX-OXQOHEQNSA-N 0 0 452.551 4.505 20 0 JJADRN C[C@@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461400070 1067846659 /nfs/dbraw/zinc/84/66/59/1067846659.db2.gz WUWYJSNWKUKCKY-NHCUHLMSSA-N 0 0 453.542 4.928 20 0 JJADRN C[C@@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461400075 1067846678 /nfs/dbraw/zinc/84/66/78/1067846678.db2.gz WUWYJSNWKUKCKY-RTWAWAEBSA-N 0 0 453.542 4.928 20 0 JJADRN Cn1cnn(-c2ccc(NCc3ccc(Oc4cccc(Br)c4)cc3)cc2)c1=O ZINC001461402739 1067847070 /nfs/dbraw/zinc/84/70/70/1067847070.db2.gz XBAAJKPRNKRLCU-UHFFFAOYSA-N 0 0 451.324 4.738 20 0 JJADRN CC(C)(C)c1cccc(OC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1Cl ZINC001461401897 1067847106 /nfs/dbraw/zinc/84/71/06/1067847106.db2.gz MICTXXGAJHANOZ-SFHVURJKSA-N 0 0 450.000 4.785 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001461406947 1067848142 /nfs/dbraw/zinc/84/81/42/1067848142.db2.gz CVSGGZZJTPOKHB-GFCCVEGCSA-N 0 0 454.151 4.767 20 0 JJADRN CCCO[C@@H](C(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1C ZINC001461410112 1067848585 /nfs/dbraw/zinc/84/85/85/1067848585.db2.gz KAKSJCRQTQPTMG-LEWJYISDSA-N 0 0 450.348 4.964 20 0 JJADRN O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001461410471 1067849277 /nfs/dbraw/zinc/84/92/77/1067849277.db2.gz MPSILIYQFKBXRA-LJQANCHMSA-N 0 0 458.743 4.773 20 0 JJADRN CCOc1cc(CNc2ccc3c(c2)nc(C(C)(C)C)n3C)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461413697 1067850046 /nfs/dbraw/zinc/85/00/46/1067850046.db2.gz XCEGEYMRTJDVSU-KRWDZBQOSA-N 0 0 452.599 4.737 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001461415602 1067850364 /nfs/dbraw/zinc/85/03/64/1067850364.db2.gz FVBRDKMJVISKLI-UHFFFAOYSA-N 0 0 459.587 4.795 20 0 JJADRN CC(C)CN1C[C@@H](C(=O)O[C@@H](c2ccc(Br)cc2Cl)C(F)(F)F)CC1=O ZINC001461415142 1067850479 /nfs/dbraw/zinc/85/04/79/1067850479.db2.gz XSTJSYRZBAXTDT-BONVTDFDSA-N 0 0 456.686 4.754 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC001461417406 1067850861 /nfs/dbraw/zinc/85/08/61/1067850861.db2.gz SDWHELBNGYAYMV-VGSWGCGISA-N 0 0 450.432 4.774 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001461417842 1067851176 /nfs/dbraw/zinc/85/11/76/1067851176.db2.gz WAELZHVXOZDUKD-GCJKJVERSA-N 0 0 450.432 4.774 20 0 JJADRN O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCc1ccc(-c2cccs2)cc1 ZINC001461418530 1067851666 /nfs/dbraw/zinc/85/16/66/1067851666.db2.gz NFVJPFBMQXCBNE-UHFFFAOYSA-N 0 0 453.614 4.973 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)COC(c2ccccc2)c2ccccc2)C2CCC2)C1 ZINC001461418851 1067851866 /nfs/dbraw/zinc/85/18/66/1067851866.db2.gz RPCZSQMUULLZEE-UHFFFAOYSA-N 0 0 450.579 4.793 20 0 JJADRN Cc1cc(C(=O)Nc2cc(Cl)c(Br)cc2C)cc(S(=O)(=O)N(C)C)c1C ZINC001461421036 1067852622 /nfs/dbraw/zinc/85/26/22/1067852622.db2.gz LNNRQEFEYSZYOM-UHFFFAOYSA-N 0 0 459.793 4.530 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)cc2)c1C(F)(F)F ZINC001461428254 1067853588 /nfs/dbraw/zinc/85/35/88/1067853588.db2.gz OMDPGTWEIFRXFL-VBKZILBWSA-N 0 0 457.452 4.526 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001461431007 1067854344 /nfs/dbraw/zinc/85/43/44/1067854344.db2.gz MXQCWSIAENRKQG-OYHNWAKOSA-N 0 0 474.424 4.650 20 0 JJADRN Cc1cc(Br)ccc1CNc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001461431078 1067854428 /nfs/dbraw/zinc/85/44/28/1067854428.db2.gz BFTNYHCOEMUTIO-UHFFFAOYSA-N 0 0 453.222 4.884 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)cc1CNc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001461432367 1067854907 /nfs/dbraw/zinc/85/49/07/1067854907.db2.gz GZWLRXNPPPPEML-UHFFFAOYSA-N 0 0 454.416 4.616 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)nn1-c1ccc(F)cc1 ZINC001461433495 1067855408 /nfs/dbraw/zinc/85/54/08/1067855408.db2.gz SWEPWTIRBCAGMB-YCRPNKLZSA-N 0 0 458.331 4.685 20 0 JJADRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461434865 1067855416 /nfs/dbraw/zinc/85/54/16/1067855416.db2.gz YZJOWOUEBZVVKS-HKUYNNGSSA-N 0 0 453.423 4.661 20 0 JJADRN O=C(Nc1cncc(OCC(F)(F)F)n1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001461434346 1067855514 /nfs/dbraw/zinc/85/55/14/1067855514.db2.gz BOILRTHRZMDPFK-UHFFFAOYSA-N 0 0 450.642 4.504 20 0 JJADRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461434867 1067855517 /nfs/dbraw/zinc/85/55/17/1067855517.db2.gz YZJOWOUEBZVVKS-IEBWSBKVSA-N 0 0 453.423 4.661 20 0 JJADRN CC1(C)CC(CNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC001461438191 1067856819 /nfs/dbraw/zinc/85/68/19/1067856819.db2.gz PZUYAGBYNVAQEL-UHFFFAOYSA-N 0 0 458.462 4.972 20 0 JJADRN COC(=O)CN(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CCCCC1 ZINC001461440694 1067857187 /nfs/dbraw/zinc/85/71/87/1067857187.db2.gz DXBJFXFTVPCTBS-UHFFFAOYSA-N 0 0 454.596 4.997 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001461444800 1067858100 /nfs/dbraw/zinc/85/81/00/1067858100.db2.gz MBTYTYRAVVQHHG-MRXNPFEDSA-N 0 0 450.417 4.714 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1F)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461450436 1067859431 /nfs/dbraw/zinc/85/94/31/1067859431.db2.gz WMAASKLOFOCHGU-NHYWBVRUSA-N 0 0 455.279 4.928 20 0 JJADRN COCC(=O)N1CCc2cc(NCc3cnc(-c4ccc(Br)cc4)s3)ccc21 ZINC001461452396 1067860481 /nfs/dbraw/zinc/86/04/81/1067860481.db2.gz GVDHITNSNNYRTN-UHFFFAOYSA-N 0 0 458.381 4.720 20 0 JJADRN O=C(Nc1nc(Br)cc2ccccc21)c1csc(I)c1 ZINC001461455402 1067860883 /nfs/dbraw/zinc/86/08/83/1067860883.db2.gz HSANKHKKHPQZTA-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cn1 ZINC001461457978 1067861187 /nfs/dbraw/zinc/86/11/87/1067861187.db2.gz UIQQKMOAUQFXEX-GOSISDBHSA-N 0 0 451.340 4.966 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001461468289 1067864891 /nfs/dbraw/zinc/86/48/91/1067864891.db2.gz FHDJTTDCYFJRKC-UHFFFAOYSA-N 0 0 459.453 4.834 20 0 JJADRN Cc1cc(CNCc2c(F)ccc(Br)c2F)ccc1I ZINC001461469147 1067864906 /nfs/dbraw/zinc/86/49/06/1067864906.db2.gz AKNJDOQNAFAYSO-UHFFFAOYSA-N 0 0 452.080 4.930 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC001461471133 1067866109 /nfs/dbraw/zinc/86/61/09/1067866109.db2.gz BSNHKVRBUUAPQL-LPHOPBHVSA-N 0 0 464.484 4.636 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001461473949 1067867240 /nfs/dbraw/zinc/86/72/40/1067867240.db2.gz GVCIECSVJMNGJL-QLBRKBSLSA-N 0 0 474.642 4.890 20 0 JJADRN CCOc1ccccc1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461474003 1067867253 /nfs/dbraw/zinc/86/72/53/1067867253.db2.gz DLRGCRVCVUWVDM-NHCUHLMSSA-N 0 0 472.557 4.513 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001461474833 1067867264 /nfs/dbraw/zinc/86/72/64/1067867264.db2.gz HRHJNLMCONFQSS-ROUUACIJSA-N 0 0 456.505 4.637 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2cccc(F)c2F)cc1 ZINC001461473773 1067867280 /nfs/dbraw/zinc/86/72/80/1067867280.db2.gz FTURGGXRLAXIBN-UNMCSNQZSA-N 0 0 474.548 4.815 20 0 JJADRN COCC[C@H](CNc1ccc(OC(F)(F)F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461474580 1067867647 /nfs/dbraw/zinc/86/76/47/1067867647.db2.gz YACJFZCNUDVCSN-GFCCVEGCSA-N 0 0 457.287 4.689 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(I)c(Cl)c2)ccn1 ZINC001461475476 1067868122 /nfs/dbraw/zinc/86/81/22/1067868122.db2.gz RHTOWSMRVXVCIV-UHFFFAOYSA-N 0 0 458.683 4.547 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461476847 1067868769 /nfs/dbraw/zinc/86/87/69/1067868769.db2.gz ZOCWYVTZRPYYPG-VWLOTQADSA-N 0 0 458.986 4.645 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H](C)c2c(C)noc2C)cc1 ZINC001461479084 1067870059 /nfs/dbraw/zinc/87/00/59/1067870059.db2.gz SBZYLJHMHNXSLS-SSKFGXFMSA-N 0 0 471.598 4.703 20 0 JJADRN CC[C@@H](C(=O)N[C@H](C(=O)OC)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001461480325 1067870365 /nfs/dbraw/zinc/87/03/65/1067870365.db2.gz BFKTVQRPFCDABC-PBHICJAKSA-N 0 0 458.274 4.992 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC001461481378 1067870965 /nfs/dbraw/zinc/87/09/65/1067870965.db2.gz ZBIYKAGTWLEVOD-GOTSBHOMSA-N 0 0 477.561 4.873 20 0 JJADRN CCCCOc1ccc(C(=O)N[C@@H](C(=O)OC)c2ccccc2Br)c(Cl)c1 ZINC001461482041 1067871256 /nfs/dbraw/zinc/87/12/56/1067871256.db2.gz GICQRUHLSBLONY-GOSISDBHSA-N 0 0 454.748 4.926 20 0 JJADRN CCOc1cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F ZINC001461482803 1067871744 /nfs/dbraw/zinc/87/17/44/1067871744.db2.gz GWLJLITZSRBPTL-HNNXBMFYSA-N 0 0 453.379 4.748 20 0 JJADRN CCOc1cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F ZINC001461482809 1067871850 /nfs/dbraw/zinc/87/18/50/1067871850.db2.gz GWLJLITZSRBPTL-OAHLLOKOSA-N 0 0 453.379 4.748 20 0 JJADRN COc1ccc(-c2nc(CNc3cccc(S(=O)(=O)NCc4ccco4)c3)cs2)cc1 ZINC001461488158 1067873458 /nfs/dbraw/zinc/87/34/58/1067873458.db2.gz OSBBDYDTPMGBBY-UHFFFAOYSA-N 0 0 455.561 4.502 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001461490919 1067874537 /nfs/dbraw/zinc/87/45/37/1067874537.db2.gz FJCHHKPOFJHWJF-LLVKDONJSA-N 0 0 451.310 4.643 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3ccccc3)nc2)cc1 ZINC001461495113 1067875940 /nfs/dbraw/zinc/87/59/40/1067875940.db2.gz MNFYJCUCJCEJQC-BGYRXZFFSA-N 0 0 459.546 4.669 20 0 JJADRN O=C(Cn1ccc2ccccc2c1=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001461504746 1067878218 /nfs/dbraw/zinc/87/82/18/1067878218.db2.gz KXLCRDKBOJFRFR-UHFFFAOYSA-N 0 0 454.408 4.677 20 0 JJADRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001461504975 1067878454 /nfs/dbraw/zinc/87/84/54/1067878454.db2.gz MBXIGHOWSPHOKA-UHFFFAOYSA-N 0 0 454.412 4.865 20 0 JJADRN O=C(Nc1ccc2c(c1)CCNC2=O)c1cccc(OCc2ccccc2Br)c1 ZINC001461506197 1067878629 /nfs/dbraw/zinc/87/86/29/1067878629.db2.gz ZSZSPXZWHUOBKZ-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN O=C(Nc1ccc(-n2ccccc2=O)cc1F)c1cc(-c2ccc(Br)cc2)no1 ZINC001461510510 1067879253 /nfs/dbraw/zinc/87/92/53/1067879253.db2.gz VZWFPHVHAJZXQZ-UHFFFAOYSA-N 0 0 454.255 4.646 20 0 JJADRN COc1ccc(NCc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(Br)c1 ZINC001461513653 1067879533 /nfs/dbraw/zinc/87/95/33/1067879533.db2.gz MWCMFVSALPVMDS-UHFFFAOYSA-N 0 0 454.390 4.820 20 0 JJADRN COC[C@@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)C1CCOCC1 ZINC001461521373 1067881132 /nfs/dbraw/zinc/88/11/32/1067881132.db2.gz IMTBQUNUINYJKL-MRXNPFEDSA-N 0 0 457.423 4.952 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)NCc2cc(Cl)ccc2I)c1 ZINC001461527114 1067881463 /nfs/dbraw/zinc/88/14/63/1067881463.db2.gz IVOXJVPEXHOAGU-UHFFFAOYSA-N 0 0 450.103 4.602 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1cccn(CC(F)(F)F)c1=O ZINC001461530255 1067882249 /nfs/dbraw/zinc/88/22/49/1067882249.db2.gz AZZGHMMLPYWMSH-UHFFFAOYSA-N 0 0 457.290 4.763 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461532252 1067882831 /nfs/dbraw/zinc/88/28/31/1067882831.db2.gz XXVMIVDNOKFJIV-IBGZPJMESA-N 0 0 455.396 4.887 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCO[C@@](C)(C4CC4)C3)cs2)cc1 ZINC001461532853 1067882889 /nfs/dbraw/zinc/88/28/89/1067882889.db2.gz WUAXLRUJRSAOMT-XMMPIXPASA-N 0 0 457.596 4.722 20 0 JJADRN O=C(Nc1nccc(F)c1I)c1cc2ccccc2cc1OC(F)F ZINC001461546549 1067885737 /nfs/dbraw/zinc/88/57/37/1067885737.db2.gz DRKCWZUUSNFYON-UHFFFAOYSA-N 0 0 458.177 4.832 20 0 JJADRN COc1cccc(COC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1C ZINC001461546355 1067885815 /nfs/dbraw/zinc/88/58/15/1067885815.db2.gz GKWVPCRFUOOSRA-UHFFFAOYSA-N 0 0 451.544 4.502 20 0 JJADRN CCc1ccccc1[C@@H](CNCc1c(F)cncc1Br)NC(=O)OC(C)(C)C ZINC001461548952 1067886291 /nfs/dbraw/zinc/88/62/91/1067886291.db2.gz JFWVXGSZLKZXRB-LJQANCHMSA-N 0 0 452.368 4.901 20 0 JJADRN O=C(Nc1ncc(F)cc1Br)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001461546756 1067886309 /nfs/dbraw/zinc/88/63/09/1067886309.db2.gz CUXSBWAMFVRKPB-HNNXBMFYSA-N 0 0 456.315 4.627 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)c1cc(F)ccc1Cl)CN(C(=O)OC(C)(C)C)C2 ZINC001461551439 1067886564 /nfs/dbraw/zinc/88/65/64/1067886564.db2.gz SHGQHPBDADMBJR-UHFFFAOYSA-N 0 0 454.907 4.830 20 0 JJADRN COc1cc(-c2cc(C(=O)Nc3cnn(C)c3Cl)c3ccccc3n2)cc(OC)c1OC ZINC001461560790 1067888523 /nfs/dbraw/zinc/88/85/23/1067888523.db2.gz XRHCMZZPJKLLKE-UHFFFAOYSA-N 0 0 452.898 4.567 20 0 JJADRN COc1ccc(CNc2ccc(C(=O)NCCc3ccccc3)cc2)c(Br)c1O ZINC001461562643 1067888744 /nfs/dbraw/zinc/88/87/44/1067888744.db2.gz BTMNAMDWQWMBOB-UHFFFAOYSA-N 0 0 455.352 4.748 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 ZINC001546125327 1067888762 /nfs/dbraw/zinc/88/87/62/1067888762.db2.gz BRXPWHRTZGBMPU-ZWKOTPCHSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)ccc1C(=O)NC(C)C ZINC001461563086 1067888976 /nfs/dbraw/zinc/88/89/76/1067888976.db2.gz AYGAWDWCPZELIZ-IBGZPJMESA-N 0 0 455.599 4.896 20 0 JJADRN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001461563986 1067889189 /nfs/dbraw/zinc/88/91/89/1067889189.db2.gz ISWNCBLGZAWTEI-HZPDHXFCSA-N 0 0 454.521 4.629 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)(C1CC1)C(F)(F)F ZINC001461564205 1067889928 /nfs/dbraw/zinc/88/99/28/1067889928.db2.gz KFFLMWBMUCEXDD-NRFANRHFSA-N 0 0 455.860 4.923 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc1)CO2 ZINC001461567775 1067890289 /nfs/dbraw/zinc/89/02/89/1067890289.db2.gz DZSHSXASKPIGNC-GGAORHGYSA-N 0 0 452.551 4.727 20 0 JJADRN Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cnc1C(F)(F)F ZINC001461573402 1067891208 /nfs/dbraw/zinc/89/12/08/1067891208.db2.gz YSBKJXUJBZWMTQ-UHFFFAOYSA-N 0 0 459.453 4.980 20 0 JJADRN Cc1cc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)ccc1Br ZINC001461575732 1067891550 /nfs/dbraw/zinc/89/15/50/1067891550.db2.gz MGZGHCAVMOQWTP-SFHVURJKSA-N 0 0 451.405 4.738 20 0 JJADRN CNS(=O)(=O)c1cc(NCc2ccc(-c3cccc(Br)c3)s2)ccc1F ZINC001461574093 1067891882 /nfs/dbraw/zinc/89/18/82/1067891882.db2.gz YHMOSAMULRYLHF-UHFFFAOYSA-N 0 0 455.374 4.837 20 0 JJADRN O=C1C[C@@H](Oc2cccc(NCc3ccc(OCc4ccccc4)c(Br)c3)c2)N1 ZINC001461577238 1067892558 /nfs/dbraw/zinc/89/25/58/1067892558.db2.gz BYGHXXGCBOBXRA-HSZRJFAPSA-N 0 0 453.336 4.865 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)CCC1 ZINC001546125496 1067893395 /nfs/dbraw/zinc/89/33/95/1067893395.db2.gz FYLIHAPVPBBNNR-GOSISDBHSA-N 0 0 465.063 4.837 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[C@H](C)C2 ZINC001461583163 1067893939 /nfs/dbraw/zinc/89/39/39/1067893939.db2.gz VMSXTMBCFUNRPC-RJADORODSA-N 0 0 452.595 4.843 20 0 JJADRN COc1ccc(CCCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001461585085 1067894413 /nfs/dbraw/zinc/89/44/13/1067894413.db2.gz WPGDPHSAXZVLNW-VWLOTQADSA-N 0 0 458.558 4.540 20 0 JJADRN COc1ccc(CCCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001461585083 1067894441 /nfs/dbraw/zinc/89/44/41/1067894441.db2.gz WPGDPHSAXZVLNW-RUZDIDTESA-N 0 0 458.558 4.540 20 0 JJADRN Brc1cc(NCc2cn(C[C@@H]3CCOC3)nn2)ccc1SCc1ccccc1 ZINC001461593048 1067896249 /nfs/dbraw/zinc/89/62/49/1067896249.db2.gz SADKRTRPPAHPHF-KRWDZBQOSA-N 0 0 459.413 4.982 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)ccn1 ZINC001461596092 1067896932 /nfs/dbraw/zinc/89/69/32/1067896932.db2.gz HJFMEUQDLCPASM-HXUWFJFHSA-N 0 0 459.974 4.752 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461595323 1067896948 /nfs/dbraw/zinc/89/69/48/1067896948.db2.gz DTBBJYCSXCHOLQ-SFHVURJKSA-N 0 0 453.174 4.744 20 0 JJADRN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C12CCC2 ZINC001461596872 1067897711 /nfs/dbraw/zinc/89/77/11/1067897711.db2.gz KTLYRUIBLYFYID-IRXDYDNUSA-N 0 0 450.352 4.630 20 0 JJADRN O=C(N1CCc2sc(Br)cc2C1)C(F)(F)c1ccc(Br)cc1 ZINC001461602454 1067899386 /nfs/dbraw/zinc/89/93/86/1067899386.db2.gz SSSCBTIKVKQVPR-UHFFFAOYSA-N 0 0 451.130 4.950 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)C2)cc1 ZINC001461602134 1067899504 /nfs/dbraw/zinc/89/95/04/1067899504.db2.gz CMEWWWFRAGKFMX-KRWDZBQOSA-N 0 0 455.530 4.811 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1(C)CCC(F)(F)CC1 ZINC001461605134 1067899923 /nfs/dbraw/zinc/89/99/23/1067899923.db2.gz FMGXOLRXPLLIAU-UHFFFAOYSA-N 0 0 456.489 4.579 20 0 JJADRN CC[C@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001461610325 1067901159 /nfs/dbraw/zinc/90/11/59/1067901159.db2.gz SXKFUWUFZXOGBG-QFIPXVFZSA-N 0 0 451.539 4.988 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001461613028 1067901860 /nfs/dbraw/zinc/90/18/60/1067901860.db2.gz LACSOOIODJYIEY-HXUWFJFHSA-N 0 0 458.331 4.766 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NCc2cc3cccc(OC)c3o2)c1 ZINC001461614052 1067902254 /nfs/dbraw/zinc/90/22/54/1067902254.db2.gz WQJAXUQVGKAELQ-UHFFFAOYSA-N 0 0 457.596 4.684 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 ZINC001546125738 1067902636 /nfs/dbraw/zinc/90/26/36/1067902636.db2.gz KEHSNUBVKWTEAD-MSOLQXFVSA-N 0 0 460.022 4.744 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N3Cc4ccccc4N(C)C[C@@H]3C)[nH]c(=O)c2c1C ZINC001461619750 1067902879 /nfs/dbraw/zinc/90/28/79/1067902879.db2.gz GJPKATFIMAACGY-XJKSGUPXSA-N 0 0 456.637 4.503 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Br)c3ncccc23)nc1 ZINC001461624790 1067904036 /nfs/dbraw/zinc/90/40/36/1067904036.db2.gz KBFRRWFYZVIDHP-UHFFFAOYSA-N 0 0 457.328 4.921 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC1=O ZINC001461626716 1067904418 /nfs/dbraw/zinc/90/44/18/1067904418.db2.gz GJBMXDQPWNGTHW-HNNXBMFYSA-N 0 0 457.368 4.525 20 0 JJADRN COCCCOc1ccc(C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1 ZINC001461629078 1067905293 /nfs/dbraw/zinc/90/52/93/1067905293.db2.gz HUBRSGIKEACVAU-UHFFFAOYSA-N 0 0 454.567 4.720 20 0 JJADRN COc1cc(CNCc2cc(Cl)ccc2I)ccc1OC(F)F ZINC001461628610 1067905333 /nfs/dbraw/zinc/90/53/33/1067905333.db2.gz HDIYZTUDAOTMDI-UHFFFAOYSA-N 0 0 453.654 4.844 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCC1 ZINC001546125835 1067905668 /nfs/dbraw/zinc/90/56/68/1067905668.db2.gz MCLMLZNUNOGRST-ICSRJNTNSA-N 0 0 495.089 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC001461633074 1067906034 /nfs/dbraw/zinc/90/60/34/1067906034.db2.gz XJCLZQNRHAAJTP-SUMWQHHRSA-N 0 0 455.368 4.668 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@@H]1COc3ccc(Cl)cc3C1)CCC2 ZINC001461635536 1067906505 /nfs/dbraw/zinc/90/65/05/1067906505.db2.gz RNKZTAOVPCWXCK-IBGZPJMESA-N 0 0 456.970 4.895 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@H]1COc3ccc(Cl)cc3C1)CCC2 ZINC001461635550 1067906560 /nfs/dbraw/zinc/90/65/60/1067906560.db2.gz RNKZTAOVPCWXCK-LJQANCHMSA-N 0 0 456.970 4.895 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001461636460 1067906929 /nfs/dbraw/zinc/90/69/29/1067906929.db2.gz XMOMVNXJRUCFJL-UHFFFAOYSA-N 0 0 455.690 4.859 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 ZINC001461637464 1067907349 /nfs/dbraw/zinc/90/73/49/1067907349.db2.gz LRKJLRLALRSBJK-FPOVZHCZSA-N 0 0 457.958 4.869 20 0 JJADRN CC(=O)N(C)c1ccc(CNC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 ZINC001461639812 1067907629 /nfs/dbraw/zinc/90/76/29/1067907629.db2.gz BEYWYZBXMOYIQY-UHFFFAOYSA-N 0 0 452.967 4.962 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461646150 1067908497 /nfs/dbraw/zinc/90/84/97/1067908497.db2.gz CXMJJSHUOHYHIQ-UHFFFAOYSA-N 0 0 453.659 4.831 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC001461646339 1067908898 /nfs/dbraw/zinc/90/88/98/1067908898.db2.gz CNVUPHPLMBQNPJ-VYDXJSESSA-N 0 0 457.621 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNC[C@@H](O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC001461647512 1067908907 /nfs/dbraw/zinc/90/89/07/1067908907.db2.gz IUEKQRKOJPCDMY-MRXNPFEDSA-N 0 0 458.411 4.566 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC001461646335 1067908939 /nfs/dbraw/zinc/90/89/39/1067908939.db2.gz CNVUPHPLMBQNPJ-BFYDXBDKSA-N 0 0 457.621 4.759 20 0 JJADRN COc1ccc(-n2c(SCC(=O)NC[C@]3(C)CC3(F)F)nnc2-c2ccc(C)cc2)cc1 ZINC001461648186 1067909370 /nfs/dbraw/zinc/90/93/70/1067909370.db2.gz JKSMKLHFOQSTNP-QFIPXVFZSA-N 0 0 458.534 4.505 20 0 JJADRN C[C@@H]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461650026 1067909712 /nfs/dbraw/zinc/90/97/12/1067909712.db2.gz CKHZBWOPWYYLJL-RTBURBONSA-N 0 0 467.651 4.756 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461649984 1067909778 /nfs/dbraw/zinc/90/97/78/1067909778.db2.gz BFEZIVNGZCTTCA-IERDGZPVSA-N 0 0 475.033 4.837 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc3c(Br)cnn3c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461650074 1067909831 /nfs/dbraw/zinc/90/98/31/1067909831.db2.gz DHCCCCWBJGMROY-CRAIPNDOSA-N 0 0 479.419 4.642 20 0 JJADRN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2cccnc2Oc2cccc(Br)c2)cn1 ZINC001461651427 1067910160 /nfs/dbraw/zinc/91/01/60/1067910160.db2.gz WVIZNOGWFPKHTR-JXFKEZNVSA-N 0 0 455.356 4.511 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001461652642 1067910424 /nfs/dbraw/zinc/91/04/24/1067910424.db2.gz BPVIDLJMFVZKOK-UHFFFAOYSA-N 0 0 457.397 4.926 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001461653269 1067910469 /nfs/dbraw/zinc/91/04/69/1067910469.db2.gz CXFNUIYJAUTSTI-JSJGNVMISA-N 0 0 453.583 4.941 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461653711 1067910878 /nfs/dbraw/zinc/91/08/78/1067910878.db2.gz WUTKWVBWNNLPME-SJLPKXTDSA-N 0 0 462.616 4.663 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461654231 1067910976 /nfs/dbraw/zinc/91/09/76/1067910976.db2.gz ZYVJQSCEWLESSI-IKGGRYGDSA-N 0 0 469.420 4.677 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CCN1C(=O)OC(C)(C)C ZINC001461658531 1067911708 /nfs/dbraw/zinc/91/17/08/1067911708.db2.gz LRWGJVWGQMTQGX-FGCOXFRFSA-N 0 0 479.621 4.596 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1nc2ccccc2cc1Br ZINC001461659133 1067912094 /nfs/dbraw/zinc/91/20/94/1067912094.db2.gz KAJIQDKIKTUFKC-CRAIPNDOSA-N 0 0 451.242 4.662 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461660301 1067912507 /nfs/dbraw/zinc/91/25/07/1067912507.db2.gz KUXSDAJKMXSRSB-KGLIPLIRSA-N 0 0 451.926 4.900 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461660462 1067912515 /nfs/dbraw/zinc/91/25/15/1067912515.db2.gz NBIWTVNKCMUCPR-RGYTYGDFSA-N 0 0 460.315 4.981 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)ccc1Br ZINC001461661881 1067912848 /nfs/dbraw/zinc/91/28/48/1067912848.db2.gz SMGOWLZSFATUMK-CRAIPNDOSA-N 0 0 458.274 4.901 20 0 JJADRN COC(=O)[C@]1(OC)CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)C1 ZINC001461664162 1067913429 /nfs/dbraw/zinc/91/34/29/1067913429.db2.gz WUZSCCDVYDOXGA-QHCPKHFHSA-N 0 0 459.951 4.783 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N(Cc2ccccc2F)CC2CC2)[C@H]1c1ccc(OC)cc1 ZINC001461664742 1067913466 /nfs/dbraw/zinc/91/34/66/1067913466.db2.gz KJSHDQPFTXETKO-JYFHCDHNSA-N 0 0 452.570 4.963 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2scc(Br)c2Br)CCCC(C)(C)C1 ZINC001461664427 1067913536 /nfs/dbraw/zinc/91/35/36/1067913536.db2.gz QCGBGCSIRHEMSM-OAHLLOKOSA-N 0 0 453.196 4.515 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001461665089 1067913894 /nfs/dbraw/zinc/91/38/94/1067913894.db2.gz UTULLAACPLXVMT-AEFFLSMTSA-N 0 0 457.372 4.541 20 0 JJADRN Cc1cccc(CNc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)c1Br ZINC001461665227 1067913911 /nfs/dbraw/zinc/91/39/11/1067913911.db2.gz BULLEULAVWUCIQ-CQSZACIVSA-N 0 0 454.206 4.951 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676365 1067915916 /nfs/dbraw/zinc/91/59/16/1067915916.db2.gz FBRXCDINPCLFPS-OAQYLSRUSA-N 0 0 452.986 4.662 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 ZINC001461676359 1067916012 /nfs/dbraw/zinc/91/60/12/1067916012.db2.gz FBRXCDINPCLFPS-NRFANRHFSA-N 0 0 452.986 4.662 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC001546126226 1067916330 /nfs/dbraw/zinc/91/63/30/1067916330.db2.gz SYNKTEQVIBCUDI-QAPCUYQASA-N 0 0 456.484 4.905 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461681341 1067917423 /nfs/dbraw/zinc/91/74/23/1067917423.db2.gz AWKIVRIHNQJMAQ-XLIONFOSSA-N 0 0 457.571 4.751 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(F)F)C3CCCCC3)CC2)cc1 ZINC001461683981 1067917873 /nfs/dbraw/zinc/91/78/73/1067917873.db2.gz SRSJCLCNFDCGRW-NRFANRHFSA-N 0 0 456.599 4.541 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC001461685456 1067918340 /nfs/dbraw/zinc/91/83/40/1067918340.db2.gz JMDDDBMAVHVKKO-OAQYLSRUSA-N 0 0 459.587 4.642 20 0 JJADRN Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001461692056 1067919053 /nfs/dbraw/zinc/91/90/53/1067919053.db2.gz HEBHKCWBHSSMFT-SFHVURJKSA-N 0 0 451.473 4.951 20 0 JJADRN Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001461692051 1067919092 /nfs/dbraw/zinc/91/90/92/1067919092.db2.gz HEBHKCWBHSSMFT-GOSISDBHSA-N 0 0 451.473 4.951 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)N[C@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)CC2=O)CC1 ZINC001461695167 1067920391 /nfs/dbraw/zinc/92/03/91/1067920391.db2.gz ZTNFGOUXJJBBLU-VSBGUDHJSA-N 0 0 455.599 4.564 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461695239 1067920467 /nfs/dbraw/zinc/92/04/67/1067920467.db2.gz YWPBGUZRMLYYJY-GDIGMMSISA-N 0 0 479.802 4.727 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001461700067 1067921259 /nfs/dbraw/zinc/92/12/59/1067921259.db2.gz PIYZZYUACBQAEI-MOUTVQLLSA-N 0 0 468.569 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2csc(-c3cccs3)n2)CC[C@H]1F ZINC001461702628 1067921528 /nfs/dbraw/zinc/92/15/28/1067921528.db2.gz QDSVGLNROHJHMO-ZIAGYGMSSA-N 0 0 453.605 4.613 20 0 JJADRN COc1c(Br)cc(Br)cc1CNc1ccc2c(c1)SCC(=O)N2 ZINC001461700904 1067921630 /nfs/dbraw/zinc/92/16/30/1067921630.db2.gz YHIRDIXIJAGYRY-UHFFFAOYSA-N 0 0 458.175 4.877 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)c1 ZINC001461715039 1067923650 /nfs/dbraw/zinc/92/36/50/1067923650.db2.gz MTODQXLZWTXPBQ-FQEVSTJZSA-N 0 0 450.398 4.829 20 0 JJADRN O=C(Cc1ccc(I)c(Br)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001461718449 1067924382 /nfs/dbraw/zinc/92/43/82/1067924382.db2.gz UZIPKXLXLWWBDZ-BBRMVZONSA-N 0 0 462.169 4.777 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC001461717953 1067924413 /nfs/dbraw/zinc/92/44/13/1067924413.db2.gz OUZRCVTUHMRNOT-KZULUSFZSA-N 0 0 459.276 4.762 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cl)c(I)c2)ccc1OC(F)F ZINC001461718045 1067924516 /nfs/dbraw/zinc/92/45/16/1067924516.db2.gz PDVKYTBVQQAXGW-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)o1 ZINC001461718385 1067924798 /nfs/dbraw/zinc/92/47/98/1067924798.db2.gz WTGJDQUUTIVMEH-XSEIIIHRSA-N 0 0 453.535 4.716 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461719720 1067924845 /nfs/dbraw/zinc/92/48/45/1067924845.db2.gz STTZQSGBUIUHHG-GOSISDBHSA-N 0 0 455.318 4.791 20 0 JJADRN CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001461720799 1067925248 /nfs/dbraw/zinc/92/52/48/1067925248.db2.gz LJEALPDPFYEVHW-UHFFFAOYSA-N 0 0 457.459 4.518 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)ccc1F ZINC001461722045 1067925512 /nfs/dbraw/zinc/92/55/12/1067925512.db2.gz XPGRWHSKSXSTSO-IERDGZPVSA-N 0 0 459.359 4.833 20 0 JJADRN O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001461722752 1067925886 /nfs/dbraw/zinc/92/58/86/1067925886.db2.gz ZNXMFJUVSZHMOB-KRWDZBQOSA-N 0 0 458.324 4.643 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001461725114 1067926351 /nfs/dbraw/zinc/92/63/51/1067926351.db2.gz SCSMRFZPTLAXEE-MORSLUCNSA-N 0 0 455.577 4.862 20 0 JJADRN COc1cccc2c1nc(NCc1cc(Br)cc(Br)c1OC)n2C ZINC001461727479 1067926659 /nfs/dbraw/zinc/92/66/59/1067926659.db2.gz GYMDCHOAMRFSFS-UHFFFAOYSA-N 0 0 455.150 4.728 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)NCC(F)(F)c2ccc(Br)cc2)cs1 ZINC001461728012 1067926677 /nfs/dbraw/zinc/92/66/77/1067926677.db2.gz JSDGVZLEMMSJAE-UHFFFAOYSA-N 0 0 454.340 4.764 20 0 JJADRN Cn1c(SCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)nnc1-c1cccs1 ZINC001461735753 1067927798 /nfs/dbraw/zinc/92/77/98/1067927798.db2.gz MTAKKJRSSSKFBF-UHFFFAOYSA-N 0 0 452.527 4.850 20 0 JJADRN COCCC[C@H](C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461739196 1067928089 /nfs/dbraw/zinc/92/80/89/1067928089.db2.gz APOIFRZGJGXVRI-NRFANRHFSA-N 0 0 450.579 4.766 20 0 JJADRN Cc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C(C)(C)C)cc1 ZINC001461738730 1067928146 /nfs/dbraw/zinc/92/81/46/1067928146.db2.gz GIXYDSJVGFTYEK-UHFFFAOYSA-N 0 0 456.652 4.840 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC001546126737 1067929447 /nfs/dbraw/zinc/92/94/47/1067929447.db2.gz CWBIGOLNVPFSSH-SFHVURJKSA-N 0 0 454.924 4.992 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C2)cc1 ZINC001546126736 1067929456 /nfs/dbraw/zinc/92/94/56/1067929456.db2.gz CWBIGOLNVPFSSH-GOSISDBHSA-N 0 0 454.924 4.992 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3csc(COc4ccccc4)n3)cc2)C1 ZINC001461747183 1067929815 /nfs/dbraw/zinc/92/98/15/1067929815.db2.gz UQLPMIUNLNOMLW-SFHVURJKSA-N 0 0 457.621 4.755 20 0 JJADRN O=S(=O)(c1ccc(NCc2c(F)cc(Br)cc2F)cc1)N1CCCCCC1 ZINC001461750944 1067930303 /nfs/dbraw/zinc/93/03/03/1067930303.db2.gz FBLMGSFEPRPYRZ-UHFFFAOYSA-N 0 0 459.356 4.904 20 0 JJADRN Cc1cccc2c1C[C@@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)CO2 ZINC001461749028 1067930352 /nfs/dbraw/zinc/93/03/52/1067930352.db2.gz YRDIILMBOHHTCM-LJQANCHMSA-N 0 0 452.620 4.612 20 0 JJADRN NC(=O)c1cc(NCc2ccc3c(n2)CCC3)ccc1OCc1cccc(Br)c1 ZINC001461756423 1067931499 /nfs/dbraw/zinc/93/14/99/1067931499.db2.gz UDRGZXGMIWDYAT-UHFFFAOYSA-N 0 0 452.352 4.623 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001461758090 1067931812 /nfs/dbraw/zinc/93/18/12/1067931812.db2.gz XBQKMYQGFZEDHA-KRWDZBQOSA-N 0 0 459.015 4.867 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC001546126913 1067932335 /nfs/dbraw/zinc/93/23/35/1067932335.db2.gz HYGXVIAZYILJGR-XMMPIXPASA-N 0 0 457.574 4.645 20 0 JJADRN CC1(C)[C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1(F)F ZINC001461763324 1067932593 /nfs/dbraw/zinc/93/25/93/1067932593.db2.gz JZQKMBJAIMFPSZ-MRXNPFEDSA-N 0 0 453.272 4.815 20 0 JJADRN CC[C@H](c1ccccc1)N(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(C)C ZINC001461763156 1067932707 /nfs/dbraw/zinc/93/27/07/1067932707.db2.gz JKLASFYRJGGVNJ-QGZVFWFLSA-N 0 0 456.377 4.994 20 0 JJADRN O=C(Nc1nc2cc(I)ccc2[nH]1)c1occc1COc1ccccc1 ZINC001461769713 1067933355 /nfs/dbraw/zinc/93/33/55/1067933355.db2.gz FBUCJXLWLBDHRB-UHFFFAOYSA-N 0 0 459.243 4.592 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1nc2cc(I)ccc2[nH]1 ZINC001461768098 1067933386 /nfs/dbraw/zinc/93/33/86/1067933386.db2.gz BUIAAZFXZMOKJO-UHFFFAOYSA-N 0 0 456.287 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1ccc(F)c(Br)c1F ZINC001461771861 1067933819 /nfs/dbraw/zinc/93/38/19/1067933819.db2.gz CTTGOISQILAELQ-INIZCTEOSA-N 0 0 457.271 4.793 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)N3CC[C@H](Sc4ccc(Br)cc4)C3)cnc21 ZINC001461772455 1067934501 /nfs/dbraw/zinc/93/45/01/1067934501.db2.gz ZROUXQALEFLCHT-IBGZPJMESA-N 0 0 459.413 4.857 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1)NC(C)=O ZINC001461772762 1067934587 /nfs/dbraw/zinc/93/45/87/1067934587.db2.gz XUZXXKGPJWBKNK-NRFANRHFSA-N 0 0 455.555 4.947 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001461774320 1067934874 /nfs/dbraw/zinc/93/48/74/1067934874.db2.gz VDHVAKNNUMPWRT-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)c1cccc(C)c1I)C2 ZINC001461776280 1067935270 /nfs/dbraw/zinc/93/52/70/1067935270.db2.gz IJRIEYDDNRMEFU-UHFFFAOYSA-N 0 0 456.121 4.827 20 0 JJADRN COc1cc(CCNC(=O)Cn2cc(C)c3ccccc32)cc(OC)c1OCc1ccccc1 ZINC001461776918 1067935285 /nfs/dbraw/zinc/93/52/85/1067935285.db2.gz KDUXTBGXWXLBIE-UHFFFAOYSA-N 0 0 458.558 4.905 20 0 JJADRN CN1c2cc(NCc3ccc(OCCn4ccnc4)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC001461775085 1067935370 /nfs/dbraw/zinc/93/53/70/1067935370.db2.gz KGTXMFHMOHWEKE-UHFFFAOYSA-N 0 0 454.958 4.609 20 0 JJADRN COc1cc(CCNC(=O)Cc2ccc(F)cc2Cl)cc(OC)c1OCc1ccccc1 ZINC001461779468 1067935602 /nfs/dbraw/zinc/93/56/02/1067935602.db2.gz UAZHPYXHWDPDHF-UHFFFAOYSA-N 0 0 457.929 4.977 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)C2 ZINC001461780067 1067936105 /nfs/dbraw/zinc/93/61/05/1067936105.db2.gz UZJIDOKFHLPNQY-HXUWFJFHSA-N 0 0 457.368 4.791 20 0 JJADRN CCOc1cc(CNc2n[nH]cc2C(=O)N(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC001461783220 1067936559 /nfs/dbraw/zinc/93/65/59/1067936559.db2.gz RTUKROSUGQCGMI-UHFFFAOYSA-N 0 0 450.583 4.999 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2cccc(-c3ccccc3)c2)c1 ZINC001461785982 1067936874 /nfs/dbraw/zinc/93/68/74/1067936874.db2.gz FBNBUHCSYOXQNK-UHFFFAOYSA-N 0 0 450.604 4.665 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Oc2ccc3cccnc3c2Br)C1)OCc1ccccc1 ZINC001461790041 1067937616 /nfs/dbraw/zinc/93/76/16/1067937616.db2.gz RJTVKVDQGNOBOK-CALCHBBNSA-N 0 0 455.308 4.608 20 0 JJADRN CCc1nc(COc2ccc(C(=O)NCC/C=C/c3ccc(Br)cc3)cc2)no1 ZINC001461801093 1067939031 /nfs/dbraw/zinc/93/90/31/1067939031.db2.gz UQSFVOWRHIGCMP-HWKANZROSA-N 0 0 456.340 4.807 20 0 JJADRN CCc1nc(COc2ccc(C(=O)NCC/C=C\c3ccc(Br)cc3)cc2)no1 ZINC001461801094 1067939066 /nfs/dbraw/zinc/93/90/66/1067939066.db2.gz UQSFVOWRHIGCMP-HYXAFXHYSA-N 0 0 456.340 4.807 20 0 JJADRN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001461803165 1067939278 /nfs/dbraw/zinc/93/92/78/1067939278.db2.gz CWKKXZREWUBOHT-CYFREDJKSA-N 0 0 453.926 4.909 20 0 JJADRN Cc1cccc(COCC(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001461804751 1067939776 /nfs/dbraw/zinc/93/97/76/1067939776.db2.gz NVJKPIXHVRZXLD-UHFFFAOYSA-N 0 0 453.174 4.622 20 0 JJADRN COCCOc1ccc(NCc2cnn(Cc3ccccc3Cl)c2)cc1Br ZINC001461803242 1067939826 /nfs/dbraw/zinc/93/98/26/1067939826.db2.gz YKOPUIJEPPUHJO-UHFFFAOYSA-N 0 0 450.764 4.985 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(F)(F)c3ccccc3C)c2)cc1 ZINC001461813560 1067940867 /nfs/dbraw/zinc/94/08/67/1067940867.db2.gz NXSUUDVFSOKXAB-UHFFFAOYSA-N 0 0 458.530 4.650 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N3C[C@@H](C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461812525 1067940907 /nfs/dbraw/zinc/94/09/07/1067940907.db2.gz JFZYTPZFGLSJTE-WBVHZDCISA-N 0 0 457.368 4.569 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)CCN1C(=O)OC(C)(C)C ZINC001461812476 1067940997 /nfs/dbraw/zinc/94/09/97/1067940997.db2.gz JERBLZZMFKEAPW-VNQPRFMTSA-N 0 0 453.377 4.599 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)cc(C(F)(F)F)c1 ZINC001461816478 1067941315 /nfs/dbraw/zinc/94/13/15/1067941315.db2.gz SLTDZZNNYQLMSF-SNVBAGLBSA-N 0 0 457.246 4.854 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCCc1nsc3ccccc13)N2C(=O)OC(C)(C)C ZINC001461816782 1067941328 /nfs/dbraw/zinc/94/13/28/1067941328.db2.gz VPBXKZBMGCQGQL-HXUWFJFHSA-N 0 0 455.555 4.769 20 0 JJADRN Cc1ncc(NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1Br ZINC001461823970 1067942168 /nfs/dbraw/zinc/94/21/68/1067942168.db2.gz DQNOGCBJAXJGIK-OAHLLOKOSA-N 0 0 450.377 4.916 20 0 JJADRN O=C(Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2ccccc2Cl)CC1 ZINC001461831971 1067943262 /nfs/dbraw/zinc/94/32/62/1067943262.db2.gz QVHLLPQXFXDCBH-UHFFFAOYSA-N 0 0 450.347 4.511 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)cc1 ZINC001461838019 1067944564 /nfs/dbraw/zinc/94/45/64/1067944564.db2.gz XKMXOTQJBAEHIQ-UHFFFAOYSA-N 0 0 452.979 4.844 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC(C)C)no1 ZINC001461840394 1067944927 /nfs/dbraw/zinc/94/49/27/1067944927.db2.gz XGUGIXBVIYQYNW-HNNXBMFYSA-N 0 0 457.518 4.747 20 0 JJADRN O=C(NCc1cc(F)ccc1OC(F)F)C1(c2ccc(Br)cc2)CCOCC1 ZINC001461841700 1067944940 /nfs/dbraw/zinc/94/49/40/1067944940.db2.gz HZBHMOCYJYATIS-UHFFFAOYSA-N 0 0 458.274 4.554 20 0 JJADRN O=C(NCc1cc(F)ccc1OC(F)F)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001461844200 1067945317 /nfs/dbraw/zinc/94/53/17/1067945317.db2.gz NJCZVQZMZGYMAU-UHFFFAOYSA-N 0 0 456.346 4.910 20 0 JJADRN O=C(COCc1nc2ccccc2s1)Nc1cc(Br)cc(Br)c1 ZINC001461845963 1067945688 /nfs/dbraw/zinc/94/56/88/1067945688.db2.gz RDIMYYGYRQHLJO-UHFFFAOYSA-N 0 0 456.159 4.977 20 0 JJADRN C[C@H](CC(=O)Nc1csc(-c2ccc(Br)cc2)n1)NC(=O)C1CCCCC1 ZINC001461852005 1067947089 /nfs/dbraw/zinc/94/70/89/1067947089.db2.gz LPIUWSJGZVNLJV-CYBMUJFWSA-N 0 0 450.402 4.986 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001461854212 1067947796 /nfs/dbraw/zinc/94/77/96/1067947796.db2.gz SAVUGVKXRWWGFJ-HIFRSBDPSA-N 0 0 450.402 4.796 20 0 JJADRN COC(=O)c1cc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)[nH]c1C ZINC001461854915 1067948178 /nfs/dbraw/zinc/94/81/78/1067948178.db2.gz SHHCXGNULOKRRP-XMMPIXPASA-N 0 0 452.599 4.798 20 0 JJADRN O=C(Nc1cc(Cl)c(Br)cc1F)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001461856524 1067948478 /nfs/dbraw/zinc/94/84/78/1067948478.db2.gz WQAKTLUJKJKECY-KRWDZBQOSA-N 0 0 455.711 4.981 20 0 JJADRN C[C@@H]1C[C@@H](OC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC(C)(C)C1 ZINC001461859104 1067948893 /nfs/dbraw/zinc/94/88/93/1067948893.db2.gz OANJKXUIXUILHE-SZVBFZGTSA-N 0 0 459.446 4.801 20 0 JJADRN COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 ZINC001461861747 1067949344 /nfs/dbraw/zinc/94/93/44/1067949344.db2.gz LOOWIHCCOIEEBS-HXUWFJFHSA-N 0 0 450.373 4.948 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)OCc2ccc(O[C@H]3CCOC3)cc2)c2ccccc2)cc1 ZINC001461862843 1067949668 /nfs/dbraw/zinc/94/96/68/1067949668.db2.gz BMJNTDWRCUGGRV-UIOOFZCWSA-N 0 0 459.542 4.767 20 0 JJADRN Brc1cc(Br)cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC001461864786 1067950104 /nfs/dbraw/zinc/95/01/04/1067950104.db2.gz HZZPXJOFXLROMT-CQSZACIVSA-N 0 0 450.178 4.634 20 0 JJADRN COc1ccc(NC(=O)CCOc2ccc(Cl)cc2Br)c(C(F)(F)F)n1 ZINC001461868114 1067950435 /nfs/dbraw/zinc/95/04/35/1067950435.db2.gz MBDYQHWHKFPOLT-UHFFFAOYSA-N 0 0 453.642 4.933 20 0 JJADRN Cc1c(NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)nnn1-c1ccc(F)cc1 ZINC001461868707 1067950825 /nfs/dbraw/zinc/95/08/25/1067950825.db2.gz UMVIMACIEKVKBO-HXUWFJFHSA-N 0 0 451.502 4.535 20 0 JJADRN Cc1c(NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)nnn1-c1ccc(F)cc1 ZINC001461868700 1067950837 /nfs/dbraw/zinc/95/08/37/1067950837.db2.gz UMVIMACIEKVKBO-FQEVSTJZSA-N 0 0 451.502 4.535 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2nc(C)ncc2Br)c1 ZINC001546127482 1067950965 /nfs/dbraw/zinc/95/09/65/1067950965.db2.gz VSUGURCLPSRHIJ-SIKLNZKXSA-N 0 0 452.352 4.927 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001461871802 1067951343 /nfs/dbraw/zinc/95/13/43/1067951343.db2.gz PLSZOBGAOXXMDA-FQEVSTJZSA-N 0 0 454.311 4.914 20 0 JJADRN CN(Cc1cn(-c2ccc(Cl)cc2Cl)nn1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001461872322 1067952130 /nfs/dbraw/zinc/95/21/30/1067952130.db2.gz UYDDUUIMXFYQEW-UHFFFAOYSA-N 0 0 457.264 4.536 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)CCc2cccc(Br)c2)[C@H]1C ZINC001461875724 1067952567 /nfs/dbraw/zinc/95/25/67/1067952567.db2.gz JGIHXZZLZDGALR-GJYPPUQNSA-N 0 0 453.421 4.922 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)Cc2ccc(Br)c(F)c2)[C@@H]1C ZINC001461879211 1067953304 /nfs/dbraw/zinc/95/33/04/1067953304.db2.gz VRZIQJLVHVHISW-IIAWOOMASA-N 0 0 457.384 4.671 20 0 JJADRN Cn1nc2c(c1NC(=O)c1ccc(NC(=O)c3cccc(Br)c3)cc1)CCCC2 ZINC001461882034 1067953632 /nfs/dbraw/zinc/95/36/32/1067953632.db2.gz JIKGTIJTZJDLRD-UHFFFAOYSA-N 0 0 453.340 4.566 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1c2c(nn1C)CCCC2 ZINC001461880915 1067953684 /nfs/dbraw/zinc/95/36/84/1067953684.db2.gz GYHFQQHSOWQNOY-CQSZACIVSA-N 0 0 451.352 4.501 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)O[C@H](C)c1cc(OC)cc(OC)c1 ZINC001461883783 1067954057 /nfs/dbraw/zinc/95/40/57/1067954057.db2.gz MGOACUICSJQQTN-WBVHZDCISA-N 0 0 451.357 4.966 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC001461886181 1067955004 /nfs/dbraw/zinc/95/50/04/1067955004.db2.gz CTUJJYXVTSHADW-MRXNPFEDSA-N 0 0 458.521 4.865 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H]2CCCCO2)CCC1 ZINC001546127864 1067955045 /nfs/dbraw/zinc/95/50/45/1067955045.db2.gz HLBWHHQOOFMUAP-KRWDZBQOSA-N 0 0 450.425 4.632 20 0 JJADRN CCOc1cc(CN2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890119 1067955335 /nfs/dbraw/zinc/95/53/35/1067955335.db2.gz YBJVUUAYWDTALO-YOEHRIQHSA-N 0 0 457.409 4.821 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1Cc1c(Cl)ccnc1Cl ZINC001461891051 1067955700 /nfs/dbraw/zinc/95/57/00/1067955700.db2.gz XMQDWMSQMDKUIP-JOCHJYFZSA-N 0 0 458.364 4.813 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1c(Cl)ccnc1Cl ZINC001461891052 1067955896 /nfs/dbraw/zinc/95/58/96/1067955896.db2.gz XMQDWMSQMDKUIP-QFIPXVFZSA-N 0 0 458.364 4.813 20 0 JJADRN COC(=O)C(C)(C)c1cccc(OC(=O)c2cc(OC)ccc2OCC(F)(F)C(F)F)c1 ZINC001461896729 1067956561 /nfs/dbraw/zinc/95/65/61/1067956561.db2.gz ONRLGGRYWXTMQC-UHFFFAOYSA-N 0 0 458.404 4.644 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001461898464 1067957174 /nfs/dbraw/zinc/95/71/74/1067957174.db2.gz GJJPKGHMQUULPT-FVJLSDCUSA-N 0 0 455.860 4.633 20 0 JJADRN Cc1cnc(Cl)c(C(=O)Nc2cc(Br)cc(I)c2)c1 ZINC001461898260 1067957223 /nfs/dbraw/zinc/95/72/23/1067957223.db2.gz FZCJGWDTBBAEFS-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CCOC(=O)Cn1cc(CN(Cc2ccccc2)Cc2ccccc2F)c(-c2cccnc2)n1 ZINC001461901341 1067957979 /nfs/dbraw/zinc/95/79/79/1067957979.db2.gz WROXVPBQXLVGGP-UHFFFAOYSA-N 0 0 458.537 4.850 20 0 JJADRN COc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1C(F)(F)F ZINC001461901708 1067958101 /nfs/dbraw/zinc/95/81/01/1067958101.db2.gz UIEJESCPZLHPCL-OAQYLSRUSA-N 0 0 457.404 4.875 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001461902612 1067958472 /nfs/dbraw/zinc/95/84/72/1067958472.db2.gz QYONKDDRDMBOKC-HSZRJFAPSA-N 0 0 456.951 4.558 20 0 JJADRN O=C(/C=C/COc1ccccc1)Nc1cc(Br)cc(I)c1 ZINC001461905416 1067958849 /nfs/dbraw/zinc/95/88/49/1067958849.db2.gz VJCHKFHTXYQUMZ-QPJJXVBHSA-N 0 0 458.093 4.627 20 0 JJADRN O=C(Nc1cc(Br)cc(I)c1)C(F)(F)c1ccccc1 ZINC001461907299 1067959289 /nfs/dbraw/zinc/95/92/89/1067959289.db2.gz YTBJTEVLGCKPHD-UHFFFAOYSA-N 0 0 452.036 4.784 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001461915353 1067960790 /nfs/dbraw/zinc/96/07/90/1067960790.db2.gz VAUKGQCWFXIXNP-LBPRGKRZSA-N 0 0 458.347 4.837 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001461921012 1067961546 /nfs/dbraw/zinc/96/15/46/1067961546.db2.gz WVCQKWFMXJJEFJ-ZZXKWVIFSA-N 0 0 455.601 4.886 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2nc(COc3ccccc3)cs2)CC[C@H]1c1ccc(C)o1 ZINC001461922327 1067961940 /nfs/dbraw/zinc/96/19/40/1067961940.db2.gz TUAVVXPHIRYQKJ-OALUTQOASA-N 0 0 455.536 4.924 20 0 JJADRN COC(=O)[C@@H](C)CN(Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl)Cc1ccccc1 ZINC001461921777 1067961944 /nfs/dbraw/zinc/96/19/44/1067961944.db2.gz UCHLYMUNQAQCGB-IBGZPJMESA-N 0 0 455.002 4.711 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461931306 1067963275 /nfs/dbraw/zinc/96/32/75/1067963275.db2.gz ITWUYAFMXQIRLA-JQOQJDEVSA-N 0 0 457.398 4.866 20 0 JJADRN O=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001461934700 1067964048 /nfs/dbraw/zinc/96/40/48/1067964048.db2.gz HWCQNKZBPGGUHK-CQSZACIVSA-N 0 0 456.255 4.795 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN2CCO[C@H](c3cccc(Br)c3)C2)s1 ZINC001461938022 1067964366 /nfs/dbraw/zinc/96/43/66/1067964366.db2.gz KWHSKIZTGOZFEV-INIZCTEOSA-N 0 0 454.390 4.826 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN2CCO[C@@H](c3cccc(Br)c3)C2)s1 ZINC001461938038 1067964474 /nfs/dbraw/zinc/96/44/74/1067964474.db2.gz KWHSKIZTGOZFEV-MRXNPFEDSA-N 0 0 454.390 4.826 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(-c4ccc(Br)cc4)n3C)CCO2)cc1 ZINC001461936916 1067964526 /nfs/dbraw/zinc/96/45/26/1067964526.db2.gz PKKLNFQYZYJRQZ-QFIPXVFZSA-N 0 0 455.352 4.677 20 0 JJADRN Cc1cc(OCC(=O)Oc2cc(Cl)cnc2I)cc(C)c1Cl ZINC001461945397 1067966391 /nfs/dbraw/zinc/96/63/91/1067966391.db2.gz HZZJNUGUBCCCSD-UHFFFAOYSA-N 0 0 452.075 4.594 20 0 JJADRN CN(C)c1cccc2sc(C(=O)Oc3cc(Cl)cnc3I)cc21 ZINC001461946710 1067966844 /nfs/dbraw/zinc/96/68/44/1067966844.db2.gz MGDGCELLQDQBEY-UHFFFAOYSA-N 0 0 458.708 4.840 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001461949341 1067967455 /nfs/dbraw/zinc/96/74/55/1067967455.db2.gz MDUTZUPFUBYYGQ-DOTOQJQBSA-N 0 0 459.384 4.753 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955293 1067968280 /nfs/dbraw/zinc/96/82/80/1067968280.db2.gz NAZPFOFRVQYLKM-JOCHJYFZSA-N 0 0 453.583 4.631 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CCN1C(=O)OC(C)(C)C ZINC001461960327 1067969919 /nfs/dbraw/zinc/96/99/19/1067969919.db2.gz GHFVVMXLEXCOBR-PBHICJAKSA-N 0 0 456.587 4.817 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001461965205 1067970458 /nfs/dbraw/zinc/97/04/58/1067970458.db2.gz TWFJYVOACCRVKO-JPYJTQIMSA-N 0 0 476.577 4.676 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1Br ZINC001461964774 1067970542 /nfs/dbraw/zinc/97/05/42/1067970542.db2.gz PKJRQUQFGFOWGC-SPLOXXLWSA-N 0 0 456.327 4.982 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(s1)c(Br)ccc2F ZINC001461967722 1067970956 /nfs/dbraw/zinc/97/09/56/1067970956.db2.gz REXFGCOHVZHKCD-UHFFFAOYSA-N 0 0 457.346 4.634 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)c12 ZINC001461966176 1067970997 /nfs/dbraw/zinc/97/09/97/1067970997.db2.gz ZUBJWQUXRGMKDY-AEFFLSMTSA-N 0 0 457.619 4.746 20 0 JJADRN COc1ccc(CCC(=O)N2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)cc1 ZINC001461970545 1067972099 /nfs/dbraw/zinc/97/20/99/1067972099.db2.gz XXSQGJBXUYNOCP-UHFFFAOYSA-N 0 0 456.011 4.749 20 0 JJADRN O=C(O[C@H]1CCCc2ccc(Cl)cc21)c1ccc2ncc(I)n2c1 ZINC001461972771 1067972623 /nfs/dbraw/zinc/97/26/23/1067972623.db2.gz MUMJESMBLVQCEI-HNNXBMFYSA-N 0 0 452.679 4.827 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)ccc1OCc1ccc(Cl)cc1Cl ZINC001461976902 1067973427 /nfs/dbraw/zinc/97/34/27/1067973427.db2.gz TZMKMHUXSMJZMD-FXAWDEMLSA-N 0 0 478.332 4.532 20 0 JJADRN CC(C)(CCCc1ccccc1)C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC001461979070 1067974028 /nfs/dbraw/zinc/97/40/28/1067974028.db2.gz NKJFTPGJSQZNGZ-UHFFFAOYSA-N 0 0 450.398 4.767 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(COc3cccc(Br)c3)o2)C2CC2)cn1 ZINC001461984453 1067974952 /nfs/dbraw/zinc/97/49/52/1067974952.db2.gz WVXAKOZUDYOZRL-OAQYLSRUSA-N 0 0 457.324 4.906 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CN(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001461988413 1067975907 /nfs/dbraw/zinc/97/59/07/1067975907.db2.gz QAFZCVKPFGULOM-UHFFFAOYSA-N 0 0 457.578 4.792 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCc2ccccc2CC(F)(F)F)cc1 ZINC001461993129 1067976661 /nfs/dbraw/zinc/97/66/61/1067976661.db2.gz BOGPVRZZWYBMAG-UHFFFAOYSA-N 0 0 452.274 4.978 20 0 JJADRN CN(C)c1nc(CN[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c(Cl)n1-c1ccccc1 ZINC001461990116 1067976667 /nfs/dbraw/zinc/97/66/67/1067976667.db2.gz CVHWUZXBCWZSIM-HXUWFJFHSA-N 0 0 455.002 4.634 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001461989314 1067976682 /nfs/dbraw/zinc/97/66/82/1067976682.db2.gz BBZCZRRWGNTYQG-XMMPIXPASA-N 0 0 458.602 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC001461996948 1067977178 /nfs/dbraw/zinc/97/71/78/1067977178.db2.gz CQHQWSGRIDPNIN-GOSISDBHSA-N 0 0 451.405 4.777 20 0 JJADRN CCCN(Cc1c(Br)cncc1Br)C[C@@H]1COc2ccccc2O1 ZINC001461998772 1067977611 /nfs/dbraw/zinc/97/76/11/1067977611.db2.gz FXPMJYPXCACUET-CYBMUJFWSA-N 0 0 456.178 4.659 20 0 JJADRN Cc1ccc(N(CC2CC2)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)cc1F ZINC001461999801 1067978030 /nfs/dbraw/zinc/97/80/30/1067978030.db2.gz JDTHULSFMZYGMJ-HSZRJFAPSA-N 0 0 451.542 4.854 20 0 JJADRN CCOC(=O)CN(Cc1cnc([C@@H]2CCCO2)s1)[C@@H](C)c1cccc(Br)c1 ZINC001462003255 1067978071 /nfs/dbraw/zinc/97/80/71/1067978071.db2.gz UPTCEVGVLVESJI-KSSFIOAISA-N 0 0 453.402 4.883 20 0 JJADRN CCc1c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)OC)cc2)cnn1-c1ccc(Br)cc1 ZINC001462011658 1067980111 /nfs/dbraw/zinc/98/01/11/1067980111.db2.gz UAJFGQHWTSQHQB-RBUKOAKNSA-N 0 0 468.351 4.726 20 0 JJADRN COCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(Br)c2cccnc12 ZINC001462010937 1067980116 /nfs/dbraw/zinc/98/01/16/1067980116.db2.gz SZTJQJOSTHFRCD-UHFFFAOYSA-N 0 0 459.369 4.757 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001462013137 1067980533 /nfs/dbraw/zinc/98/05/33/1067980533.db2.gz RBPRHODEZPRDGW-UCKMRUJXSA-N 0 0 454.542 4.585 20 0 JJADRN CO[C@@H](C(=O)N(C)Cc1ccc(Br)cc1F)c1ccc(Br)s1 ZINC001462014768 1067980914 /nfs/dbraw/zinc/98/09/14/1067980914.db2.gz QIFFPCAQKAHHLG-CQSZACIVSA-N 0 0 451.155 4.758 20 0 JJADRN CCn1nc(C)c(CN(C)C(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)c1C ZINC001462015304 1067981505 /nfs/dbraw/zinc/98/15/05/1067981505.db2.gz RRPRLJHMNAHBLG-UHFFFAOYSA-N 0 0 457.578 4.962 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CCc2cc(Br)c(Cl)cc21 ZINC001462017730 1067981945 /nfs/dbraw/zinc/98/19/45/1067981945.db2.gz CHWKAPMXRAMWDT-GFCCVEGCSA-N 0 0 457.549 4.930 20 0 JJADRN Cc1ccc(CN(Cc2ccc(Br)cc2SCCS(C)(=O)=O)C2CC2)o1 ZINC001462018150 1067982425 /nfs/dbraw/zinc/98/24/25/1067982425.db2.gz LKVQZIKUFIRRFX-UHFFFAOYSA-N 0 0 458.443 4.652 20 0 JJADRN COC(=O)c1cc(I)cc(NCc2cscc2Br)c1 ZINC001462022545 1067982765 /nfs/dbraw/zinc/98/27/65/1067982765.db2.gz DSYUIVYEBHHYQR-UHFFFAOYSA-N 0 0 452.111 4.514 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c1 ZINC001462022706 1067983334 /nfs/dbraw/zinc/98/33/34/1067983334.db2.gz WHOQZDARBGKFPN-NRFANRHFSA-N 0 0 459.999 4.659 20 0 JJADRN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462026401 1067984227 /nfs/dbraw/zinc/98/42/27/1067984227.db2.gz PBGBJTMQBQLTMC-QFBILLFUSA-N 0 0 454.368 4.504 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)cc1 ZINC001462028248 1067984464 /nfs/dbraw/zinc/98/44/64/1067984464.db2.gz GUULLYHGERBXHC-UHFFFAOYSA-N 0 0 456.376 4.946 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CC[C@@H]1c1ccc(C)o1 ZINC001462028666 1067984601 /nfs/dbraw/zinc/98/46/01/1067984601.db2.gz KFIYHQZVKJLFOR-RTBURBONSA-N 0 0 450.457 4.854 20 0 JJADRN C/C(=C\c1ccccc1OC(F)F)CN1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC001462032973 1067984901 /nfs/dbraw/zinc/98/49/01/1067984901.db2.gz XAEVHMNGJMSCQT-XDJHFCHBSA-N 0 0 454.521 4.868 20 0 JJADRN O=C(CSc1cccc(Br)c1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001462033108 1067984987 /nfs/dbraw/zinc/98/49/87/1067984987.db2.gz OTHZLZQEEGNKJV-FHLIZLRMSA-N 0 0 453.199 4.758 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462037836 1067986004 /nfs/dbraw/zinc/98/60/04/1067986004.db2.gz UUPCBRSWXSQTKN-SFHVURJKSA-N 0 0 458.624 4.576 20 0 JJADRN COc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)cc1OC ZINC001462037714 1067986183 /nfs/dbraw/zinc/98/61/83/1067986183.db2.gz UKFWHVALXJUOGC-UHFFFAOYSA-N 0 0 450.966 4.982 20 0 JJADRN O=C(CN1CCN(C/C=C\c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001462037894 1067986634 /nfs/dbraw/zinc/98/66/34/1067986634.db2.gz LCOTYXGCSNSPLM-UPHRSURJSA-N 0 0 455.883 4.767 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)Cc3ccc(Br)c(Cl)c3)n2)s1 ZINC001462039478 1067986792 /nfs/dbraw/zinc/98/67/92/1067986792.db2.gz HRYLIJMQCVGMFK-UHFFFAOYSA-N 0 0 451.777 4.838 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)Cc3ccc(Cl)cc3Br)n2)s1 ZINC001462041105 1067987251 /nfs/dbraw/zinc/98/72/51/1067987251.db2.gz ORWCVJCRNAUMIL-UHFFFAOYSA-N 0 0 451.777 4.838 20 0 JJADRN COc1ccc([C@@H]2CCCN2Cc2c(F)ccc(I)c2F)c(OC)c1 ZINC001462053939 1067991795 /nfs/dbraw/zinc/99/17/95/1067991795.db2.gz LNVTZJJMPHILDY-KRWDZBQOSA-N 0 0 459.274 4.924 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)n1 ZINC001462063323 1067993797 /nfs/dbraw/zinc/99/37/97/1067993797.db2.gz HSYYCHTUZKOUNF-UHFFFAOYSA-N 0 0 459.453 4.979 20 0 JJADRN CCCSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC001462061577 1067993992 /nfs/dbraw/zinc/99/39/92/1067993992.db2.gz ULVQOTQSLBQKIN-UHFFFAOYSA-N 0 0 455.605 4.970 20 0 JJADRN COc1ccc(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)nc1Br ZINC001462065839 1067994643 /nfs/dbraw/zinc/99/46/43/1067994643.db2.gz OTYISTHORYPHQN-UHFFFAOYSA-N 0 0 459.247 4.642 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)[C@@H]3c3ccco3)CC2)cc1 ZINC001462072041 1067996916 /nfs/dbraw/zinc/99/69/16/1067996916.db2.gz OPGCSDZIUWDVMC-QFIPXVFZSA-N 0 0 458.624 4.588 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CCOCC1 ZINC001546129286 1067997625 /nfs/dbraw/zinc/99/76/25/1067997625.db2.gz AFTHSHDRENKZJX-HXUWFJFHSA-N 0 0 499.656 4.606 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c(Cl)cccc1OCC1CC1 ZINC001462089675 1067999433 /nfs/dbraw/zinc/99/94/33/1067999433.db2.gz ABYWXVQEVFVGJY-KRWDZBQOSA-N 0 0 452.860 4.683 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001462092429 1068000627 /nfs/dbraw/zinc/00/06/27/1068000627.db2.gz DZEOINAYXBSBEW-IBGZPJMESA-N 0 0 459.399 4.567 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462099594 1068001619 /nfs/dbraw/zinc/00/16/19/1068001619.db2.gz RHVQLBAASZKJQD-ACJLOTCBSA-N 0 0 458.402 4.825 20 0 JJADRN COC(=O)c1cnc(Cl)c(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1 ZINC001462098733 1068001751 /nfs/dbraw/zinc/00/17/51/1068001751.db2.gz QYFQEWJCDPMIQE-UHFFFAOYSA-N 0 0 452.829 4.630 20 0 JJADRN CC[C@@](C)(NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1)c1ccc(F)cc1 ZINC001462102259 1068002901 /nfs/dbraw/zinc/00/29/01/1068002901.db2.gz SXBKMYPXTCJSLY-AREMUKBSSA-N 0 0 450.510 4.907 20 0 JJADRN COC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)c2ccccc12 ZINC001462102491 1068003414 /nfs/dbraw/zinc/00/34/14/1068003414.db2.gz GQWCLGBZTYOVGH-OAQYLSRUSA-N 0 0 455.352 4.863 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC001462104492 1068003755 /nfs/dbraw/zinc/00/37/55/1068003755.db2.gz OKXVBOSGCPFWLS-VWQFJMCTSA-N 0 0 455.396 4.848 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCN(C2CC2)c2c(C)cccc21 ZINC001462106372 1068004076 /nfs/dbraw/zinc/00/40/76/1068004076.db2.gz RXUCODFDTKFBPS-UHFFFAOYSA-N 0 0 454.210 4.725 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)ccc1Br ZINC001462107234 1068004583 /nfs/dbraw/zinc/00/45/83/1068004583.db2.gz WNEKBGAIRMSFCQ-MRXNPFEDSA-N 0 0 451.386 4.931 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001546129454 1068004720 /nfs/dbraw/zinc/00/47/20/1068004720.db2.gz HIAXQCCEGMTDDF-UHFFFAOYSA-N 0 0 461.383 4.715 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)CC[C@H]2C)CCOCC1 ZINC001546129457 1068005461 /nfs/dbraw/zinc/00/54/61/1068005461.db2.gz HIJCDHGBUMIALF-IAGOWNOFSA-N 0 0 464.452 4.878 20 0 JJADRN CC(=O)N1CC[C@@H](OC(=O)c2cc(Br)ccc2Br)c2ccccc21 ZINC001462109137 1068006040 /nfs/dbraw/zinc/00/60/40/1068006040.db2.gz ODEMTWWJVRMQGX-QGZVFWFLSA-N 0 0 453.130 4.866 20 0 JJADRN CCCCSc1ccc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)cc1C(F)(F)F ZINC001462116420 1068007217 /nfs/dbraw/zinc/00/72/17/1068007217.db2.gz SYERQTLRERVYOW-UHFFFAOYSA-N 0 0 450.526 4.824 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)c1sc(COc3ccc(Cl)cc3)nc1C)CC2 ZINC001462116984 1068007421 /nfs/dbraw/zinc/00/74/21/1068007421.db2.gz WYRPVQGAHQPJFC-UHFFFAOYSA-N 0 0 455.967 4.841 20 0 JJADRN COC(=O)[C@@H](NCc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(OC)c(Cl)c1 ZINC001462118425 1068008042 /nfs/dbraw/zinc/00/80/42/1068008042.db2.gz PFVFMCUPORVXKR-SFHVURJKSA-N 0 0 455.711 4.735 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCO[C@@H]1C ZINC001462120773 1068008318 /nfs/dbraw/zinc/00/83/18/1068008318.db2.gz SYORMVPBMGSERN-QVKFZJNVSA-N 0 0 458.331 4.907 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@@H](C)[C@@H]2C)CCOCC1 ZINC001546129525 1068009087 /nfs/dbraw/zinc/00/90/87/1068009087.db2.gz JFYDDJXMCHEUFD-GJZGRUSLSA-N 0 0 468.465 4.573 20 0 JJADRN Cc1c(F)cccc1N(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCO[C@H]1C ZINC001462123190 1068009924 /nfs/dbraw/zinc/00/99/24/1068009924.db2.gz ZXCMLSKYBXWGDO-NBGIEHNGSA-N 0 0 452.570 4.516 20 0 JJADRN CCOC(=O)[C@@H](N[C@@H](C)COc1ccc2cc(Br)ccc2c1)c1cccc(O)c1 ZINC001462129736 1068011627 /nfs/dbraw/zinc/01/16/27/1068011627.db2.gz MPEUEGDQPKUCEM-NYHFZMIOSA-N 0 0 458.352 4.969 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CCC1 ZINC001546129562 1068012437 /nfs/dbraw/zinc/01/24/37/1068012437.db2.gz KNIWUMDBQHRPHM-HXUWFJFHSA-N 0 0 453.631 4.523 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c2ccccc12 ZINC001462132947 1068012522 /nfs/dbraw/zinc/01/25/22/1068012522.db2.gz ZBFQCYMVORNUDG-VGOFRKELSA-N 0 0 454.885 4.577 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OCc1ccccc1 ZINC001462134184 1068012814 /nfs/dbraw/zinc/01/28/14/1068012814.db2.gz BEBBFAOPOVCBDR-QFIPXVFZSA-N 0 0 456.583 4.542 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546129592 1068012828 /nfs/dbraw/zinc/01/28/28/1068012828.db2.gz LOEHBBKIKKMRNX-MRXNPFEDSA-N 0 0 491.478 4.605 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001462134381 1068012944 /nfs/dbraw/zinc/01/29/44/1068012944.db2.gz ZWKBWAINXWOBFP-FQEVSTJZSA-N 0 0 450.485 4.555 20 0 JJADRN CC(C)c1nc(C(=O)NCCCCC(=O)OC(C)(C)C)nn1-c1c(Cl)cccc1Cl ZINC001462136210 1068013286 /nfs/dbraw/zinc/01/32/86/1068013286.db2.gz FUKXMGAKPYYRLU-UHFFFAOYSA-N 0 0 455.386 4.939 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001546129661 1068014240 /nfs/dbraw/zinc/01/42/40/1068014240.db2.gz NUEYCOODUAHBEM-UHFFFAOYSA-N 0 0 456.388 4.938 20 0 JJADRN CN(CCCC(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)C(=O)c1ccncc1 ZINC001462146430 1068014834 /nfs/dbraw/zinc/01/48/34/1068014834.db2.gz NWRLIKWYFJQSCP-CVEARBPZSA-N 0 0 454.518 4.865 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462147933 1068015273 /nfs/dbraw/zinc/01/52/73/1068015273.db2.gz RCJBOKPEVRPTBB-UIAACRFSSA-N 0 0 470.591 4.973 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462149456 1068015580 /nfs/dbraw/zinc/01/55/80/1068015580.db2.gz WAUINBXJROFIQX-UMGRQFOVSA-N 0 0 451.470 4.962 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462149454 1068015671 /nfs/dbraw/zinc/01/56/71/1068015671.db2.gz WAUINBXJROFIQX-RKWPFYGESA-N 0 0 451.470 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 ZINC001462150482 1068016221 /nfs/dbraw/zinc/01/62/21/1068016221.db2.gz YLUVQOCCECRXQK-JTHBVZDNSA-N 0 0 479.577 4.750 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cnn1-c1cccc(F)c1 ZINC001546130027 1068017275 /nfs/dbraw/zinc/01/72/75/1068017275.db2.gz BVGSTDXKVTWGIQ-CQSZACIVSA-N 0 0 458.896 4.748 20 0 JJADRN CCOCCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCc2ccccc21 ZINC001462153474 1068017728 /nfs/dbraw/zinc/01/77/28/1068017728.db2.gz SMHMLEDCMZGQIK-OAQYLSRUSA-N 0 0 452.576 4.994 20 0 JJADRN O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001462153275 1068017744 /nfs/dbraw/zinc/01/77/44/1068017744.db2.gz RDEXQZQWHRHYSP-OAGGEKHMSA-N 0 0 482.159 4.929 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 ZINC001462155042 1068018228 /nfs/dbraw/zinc/01/82/28/1068018228.db2.gz PZUMXJSRTQMUDV-UHFFFAOYSA-N 0 0 453.568 4.962 20 0 JJADRN CC(C)c1nn(C)cc1NCc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC001462158265 1068018639 /nfs/dbraw/zinc/01/86/39/1068018639.db2.gz RSRHKTZFDWCNHZ-UHFFFAOYSA-N 0 0 451.800 4.823 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1nc(C2CCCCC2)cs1 ZINC001462159836 1068019006 /nfs/dbraw/zinc/01/90/06/1068019006.db2.gz CEDHRWRVVMYNDQ-UHFFFAOYSA-N 0 0 454.365 4.851 20 0 JJADRN CN(C(=O)c1cccc2[nH]c(=O)n(CC(C)(C)C)c21)c1nc2cc(Br)ccc2o1 ZINC001462160655 1068019036 /nfs/dbraw/zinc/01/90/36/1068019036.db2.gz BPZRZGXOHZHZGS-UHFFFAOYSA-N 0 0 457.328 4.968 20 0 JJADRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC001462163331 1068019895 /nfs/dbraw/zinc/01/98/95/1068019895.db2.gz XFHOLXUISNFWEM-XLIONFOSSA-N 0 0 453.970 4.797 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001462165819 1068020127 /nfs/dbraw/zinc/02/01/27/1068020127.db2.gz GWMMSMOEBOZXKY-PKTZIBPZSA-N 0 0 455.963 4.574 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cs2)cc1OC ZINC001462165850 1068020303 /nfs/dbraw/zinc/02/03/03/1068020303.db2.gz HZCQAKXUAXADKS-GCJKJVERSA-N 0 0 476.957 4.809 20 0 JJADRN COC(=O)c1ccc(COc2ccc(CNCc3cc(F)c(Cl)cc3F)cc2OC)o1 ZINC001462167314 1068020594 /nfs/dbraw/zinc/02/05/94/1068020594.db2.gz CKCVCUQCFLDGDV-UHFFFAOYSA-N 0 0 451.853 4.875 20 0 JJADRN COC(=O)c1cc2c(cc1NC(=O)c1csc(Cc3ccc(Cl)cc3)n1)OCCCO2 ZINC001462166779 1068020799 /nfs/dbraw/zinc/02/07/99/1068020799.db2.gz CYFOGZOWPDRJIL-UHFFFAOYSA-N 0 0 458.923 4.588 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC001462167664 1068021013 /nfs/dbraw/zinc/02/10/13/1068021013.db2.gz OVCQRKIUQPHLKY-QHCPKHFHSA-N 0 0 452.551 4.597 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1 ZINC001462174318 1068021803 /nfs/dbraw/zinc/02/18/03/1068021803.db2.gz ACSUHOKWBQJZQZ-GFCCVEGCSA-N 0 0 455.363 4.787 20 0 JJADRN COc1cc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)cc(C(F)(F)F)c1 ZINC001462175517 1068022433 /nfs/dbraw/zinc/02/24/33/1068022433.db2.gz PHPALPOJEUVMMN-UHFFFAOYSA-N 0 0 455.278 4.689 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178377 1068022997 /nfs/dbraw/zinc/02/29/97/1068022997.db2.gz PLPSAJUWEJKBIN-QFIPXVFZSA-N 0 0 452.986 4.723 20 0 JJADRN C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181497 1068023217 /nfs/dbraw/zinc/02/32/17/1068023217.db2.gz ARUHNYAGMBHERK-CZUORRHYSA-N 0 0 451.365 4.549 20 0 JJADRN C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181500 1068023308 /nfs/dbraw/zinc/02/33/08/1068023308.db2.gz ARUHNYAGMBHERK-XJKSGUPXSA-N 0 0 451.365 4.549 20 0 JJADRN CCc1ccccc1Oc1ccc(CNCc2ccc(S(=O)(=O)CCO)cc2)c(Cl)c1 ZINC001462180027 1068023373 /nfs/dbraw/zinc/02/33/73/1068023373.db2.gz USOQNDYCGVIUQH-UHFFFAOYSA-N 0 0 459.995 4.751 20 0 JJADRN O=C(NCc1cc(F)c(Br)cc1F)c1cc2sc(N3CCCC3)nc2s1 ZINC001462183711 1068024200 /nfs/dbraw/zinc/02/42/00/1068024200.db2.gz ANOBWUYUOHYRSM-UHFFFAOYSA-N 0 0 458.353 4.929 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001462182649 1068024307 /nfs/dbraw/zinc/02/43/07/1068024307.db2.gz WMJIZGXLNOXFHD-AQNXPRMDSA-N 0 0 469.315 4.523 20 0 JJADRN COc1cc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OC)c1OCC(F)F ZINC001462182848 1068024453 /nfs/dbraw/zinc/02/44/53/1068024453.db2.gz GLGGKODSMFPBCE-ZDUSSCGKSA-N 0 0 451.445 4.696 20 0 JJADRN COc1ccc(C(=O)Nc2ccc3occc3c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001462185540 1068024699 /nfs/dbraw/zinc/02/46/99/1068024699.db2.gz FFYLQNJSDWZDHY-UHFFFAOYSA-N 0 0 450.516 4.514 20 0 JJADRN CCOc1cc(C(=O)NCc2cc(F)c(Br)cc2F)cc(OCC)c1OCC ZINC001462186967 1068024866 /nfs/dbraw/zinc/02/48/66/1068024866.db2.gz RFIDPFUOXIFBMY-UHFFFAOYSA-N 0 0 458.299 4.853 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOCC2CC2)CCOCC1 ZINC001546129946 1068025378 /nfs/dbraw/zinc/02/53/78/1068025378.db2.gz ZLOQYHQDZRCREN-UHFFFAOYSA-N 0 0 495.437 4.916 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(F)(F)C[C@@H]2C)c1 ZINC001462193140 1068026270 /nfs/dbraw/zinc/02/62/70/1068026270.db2.gz FFNFQVKVQRQBSL-HNNXBMFYSA-N 0 0 456.942 4.815 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)Nc1cc(OC)cc(-n2cccn2)c1 ZINC001462194977 1068026630 /nfs/dbraw/zinc/02/66/30/1068026630.db2.gz DYZKOHWUFLUODH-AWEZNQCLSA-N 0 0 456.568 4.565 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2CCSC2)ccc1OCc1ccc(Br)s1 ZINC001462197411 1068026951 /nfs/dbraw/zinc/02/69/51/1068026951.db2.gz VTJUJDUTKNLHLO-CYBMUJFWSA-N 0 0 456.427 4.971 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC001462199724 1068027876 /nfs/dbraw/zinc/02/78/76/1068027876.db2.gz MAFQGWMTMZDFKQ-SFHVURJKSA-N 0 0 450.486 4.861 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001462203292 1068028502 /nfs/dbraw/zinc/02/85/02/1068028502.db2.gz MGKFSNQKCHWOBW-UHFFFAOYSA-N 0 0 458.152 4.759 20 0 JJADRN CCOC(=O)c1csc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)c1C(=O)OCC ZINC001462206180 1068029007 /nfs/dbraw/zinc/02/90/07/1068029007.db2.gz SSDABOJPCAIMMA-MDZDMXLPSA-N 0 0 457.426 4.652 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N(CCN1CCOCC1)c1ccccc1F ZINC001462204735 1068029042 /nfs/dbraw/zinc/02/90/42/1068029042.db2.gz SFIONOZEMRYXBJ-OBGWFSINSA-N 0 0 456.867 4.790 20 0 JJADRN Cc1cccn2cc(COc3ccccc3C(=O)NCc3ccc(OC(F)F)cc3F)nc12 ZINC001462208230 1068029351 /nfs/dbraw/zinc/02/93/51/1068029351.db2.gz NXFYEQATGAZGKA-UHFFFAOYSA-N 0 0 455.436 4.892 20 0 JJADRN CC(C)c1cccc(COC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC001462211343 1068029703 /nfs/dbraw/zinc/02/97/03/1068029703.db2.gz SPHJDNVQPFQOAK-UHFFFAOYSA-N 0 0 455.601 4.976 20 0 JJADRN COc1cc(C(=O)n2c3ccccc3c(=O)n2C)ccc1OCc1ccc(Cl)cc1Cl ZINC001462211066 1068029821 /nfs/dbraw/zinc/02/98/21/1068029821.db2.gz UELDIXHMSNWBOQ-UHFFFAOYSA-N 0 0 457.313 4.923 20 0 JJADRN CCSc1ccc(COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c(Br)c1 ZINC001462212845 1068030117 /nfs/dbraw/zinc/03/01/17/1068030117.db2.gz VPGFWQYODBFJHO-AWEZNQCLSA-N 0 0 452.345 4.797 20 0 JJADRN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001462215256 1068030132 /nfs/dbraw/zinc/03/01/32/1068030132.db2.gz BHMXKJAAPMQXFM-FPOVZHCZSA-N 0 0 459.512 4.747 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216232 1068030218 /nfs/dbraw/zinc/03/02/18/1068030218.db2.gz PHGDHCXPOMAZPV-INIZCTEOSA-N 0 0 454.402 4.843 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(F)F)c(Cl)cc1Cl ZINC001462218745 1068030698 /nfs/dbraw/zinc/03/06/98/1068030698.db2.gz PLBRDEWEXVPQCU-LLVKDONJSA-N 0 0 459.386 4.872 20 0 JJADRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCCSCCC(F)(F)F)cc3C2=O)c1 ZINC001462217915 1068030881 /nfs/dbraw/zinc/03/08/81/1068030881.db2.gz NJVFFCJYTUBTAL-UHFFFAOYSA-N 0 0 450.482 4.519 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222841 1068031901 /nfs/dbraw/zinc/03/19/01/1068031901.db2.gz CTOZIYFMRLIOTG-SJORKVTESA-N 0 0 452.621 4.713 20 0 JJADRN Clc1ccc(-n2cc(CNc3ccc4nccnc4c3Br)nn2)c(Cl)c1 ZINC001462227556 1068033264 /nfs/dbraw/zinc/03/32/64/1068033264.db2.gz VCVJXORPDRZWRP-UHFFFAOYSA-N 0 0 450.127 4.892 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230095 1068034013 /nfs/dbraw/zinc/03/40/13/1068034013.db2.gz UDKSONPIUIDAFF-NZQKXSOJSA-N 0 0 453.583 4.595 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230100 1068034067 /nfs/dbraw/zinc/03/40/67/1068034067.db2.gz UDKSONPIUIDAFF-OFNKIYASSA-N 0 0 453.583 4.595 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001462240589 1068035724 /nfs/dbraw/zinc/03/57/24/1068035724.db2.gz NWZJSCJQTJTMHN-NRFANRHFSA-N 0 0 458.599 4.763 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NCc1cn(Cc2ccccc2)nc1C(C)(C)C)C(F)F ZINC001462249045 1068038064 /nfs/dbraw/zinc/03/80/64/1068038064.db2.gz SOYWHHUPEGCVBF-LJQANCHMSA-N 0 0 450.574 4.867 20 0 JJADRN Cn1cc(C(F)F)c(CNC(=O)c2ccccc2Sc2ccc(Br)cn2)n1 ZINC001462249442 1068038075 /nfs/dbraw/zinc/03/80/75/1068038075.db2.gz PXBMWRFSWRTWAJ-UHFFFAOYSA-N 0 0 453.312 4.596 20 0 JJADRN CC(C)[C@@H]1N(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC12CCCCCC2 ZINC001462252447 1068038440 /nfs/dbraw/zinc/03/84/40/1068038440.db2.gz XZWWRWRLOYKMAY-FQEVSTJZSA-N 0 0 456.446 4.571 20 0 JJADRN COc1ccc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1S(C)(=O)=O ZINC001462254465 1068038850 /nfs/dbraw/zinc/03/88/50/1068038850.db2.gz KAQAVQNNGCSSDA-QGZVFWFLSA-N 0 0 455.498 4.526 20 0 JJADRN CC[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)OC)c1cccc(I)c1 ZINC001462257295 1068039514 /nfs/dbraw/zinc/03/95/14/1068039514.db2.gz JCUFUNQLHYLGGG-CRAIPNDOSA-N 0 0 457.352 4.618 20 0 JJADRN CC1(c2cccc(Br)c2)CCC(Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC001462278472 1068042567 /nfs/dbraw/zinc/04/25/67/1068042567.db2.gz OYYRQZWUVDAZLI-UHFFFAOYSA-N 0 0 456.428 4.693 20 0 JJADRN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001462281537 1068043270 /nfs/dbraw/zinc/04/32/70/1068043270.db2.gz UUARAMFWOQSLHA-CXAGYDPISA-N 0 0 455.395 4.504 20 0 JJADRN Cc1cc(C(C)(C)C)c(C)cc1OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001462286458 1068044072 /nfs/dbraw/zinc/04/40/72/1068044072.db2.gz ZFCBMRXMDBERMX-KDURUIRLSA-N 0 0 459.608 4.618 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)c1 ZINC001462287903 1068044094 /nfs/dbraw/zinc/04/40/94/1068044094.db2.gz KNBWFHUTOOMMJR-RUZDIDTESA-N 0 0 452.551 4.613 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc(F)cc1I ZINC001462287066 1068044235 /nfs/dbraw/zinc/04/42/35/1068044235.db2.gz DTIPOIAPNRUXMM-IBGZPJMESA-N 0 0 459.249 4.946 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001462288085 1068044581 /nfs/dbraw/zinc/04/45/81/1068044581.db2.gz MVWMAIVSSNHJEX-VWLOTQADSA-N 0 0 457.448 4.874 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3cc(F)c(F)c(F)c3F)cc2)c1 ZINC001462292464 1068045125 /nfs/dbraw/zinc/04/51/25/1068045125.db2.gz LSLIMLIEPRKZGW-UHFFFAOYSA-N 0 0 453.413 4.880 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3ccc4c(c3)CCC(=O)N4C)c2)c1 ZINC001462295359 1068046078 /nfs/dbraw/zinc/04/60/78/1068046078.db2.gz KMZXVDJTTJAPFX-UHFFFAOYSA-N 0 0 457.530 4.637 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(F)c(F)c(F)c3F)cc2)cc1 ZINC001462297547 1068046468 /nfs/dbraw/zinc/04/64/68/1068046468.db2.gz YBHZUBDSXKABJU-UHFFFAOYSA-N 0 0 452.429 4.629 20 0 JJADRN CCOC(=O)Cn1cc(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)c(-c2ccccc2)n1 ZINC001462310946 1068048580 /nfs/dbraw/zinc/04/85/80/1068048580.db2.gz OQMNZOGXKMKUTC-UHFFFAOYSA-N 0 0 458.484 4.603 20 0 JJADRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC001462314354 1068049597 /nfs/dbraw/zinc/04/95/97/1068049597.db2.gz HKKLHRQMBSZRNI-AREMUKBSSA-N 0 0 458.558 4.891 20 0 JJADRN COC[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Br)c1 ZINC001462320243 1068050568 /nfs/dbraw/zinc/05/05/68/1068050568.db2.gz CHWILZSDQGLYBE-OAQYLSRUSA-N 0 0 453.336 4.819 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C(C)C)CC2)CCC1 ZINC001546130800 1068050684 /nfs/dbraw/zinc/05/06/84/1068050684.db2.gz DUAZQSGDXKCRDE-UHFFFAOYSA-N 0 0 473.687 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CSCc1coc(-c2ccccc2)n1 ZINC001462323104 1068051096 /nfs/dbraw/zinc/05/10/96/1068051096.db2.gz GEOADMIWWUQDLJ-PMACEKPBSA-N 0 0 457.596 4.575 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1ccc(-c2ccc(C)nn2)cc1 ZINC001462327911 1068051960 /nfs/dbraw/zinc/05/19/60/1068051960.db2.gz ABRNYIXXEZNUCU-UHFFFAOYSA-N 0 0 454.324 4.952 20 0 JJADRN CC(=O)N(c1nc(CNCc2nnc(C(C)(C)C)[nH]2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462330420 1068052671 /nfs/dbraw/zinc/05/26/71/1068052671.db2.gz CKWCMCWKGBWFHL-UHFFFAOYSA-N 0 0 452.506 4.552 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ncnn2CC(F)F)CCC1 ZINC001546130877 1068052902 /nfs/dbraw/zinc/05/29/02/1068052902.db2.gz HLXBKBSZJQCXLR-UHFFFAOYSA-N 0 0 494.388 4.781 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Br)c(Br)c2)nnn1-c1ccc(C)cc1 ZINC001462336619 1068053439 /nfs/dbraw/zinc/05/34/39/1068053439.db2.gz AUOSBWDNSIRGQT-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN O=C1C[C@]2(CCN(Cc3cc(Br)sc3Br)C2)Oc2ccccc21 ZINC001462338847 1068053998 /nfs/dbraw/zinc/05/39/98/1068053998.db2.gz QWBYVBLQKVLRPM-KRWDZBQOSA-N 0 0 457.187 4.883 20 0 JJADRN Cn1c(=O)cccc1C(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 ZINC001462338280 1068054072 /nfs/dbraw/zinc/05/40/72/1068054072.db2.gz YGTNPZIHFQQJAS-UHFFFAOYSA-N 0 0 453.329 4.856 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(O)c2Br)C[C@H]1c1ccccc1F ZINC001462341500 1068054827 /nfs/dbraw/zinc/05/48/27/1068054827.db2.gz WQLJPUOWGRDVPZ-FUHWJXTLSA-N 0 0 465.363 4.787 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)c(Br)c2)c1 ZINC001462341631 1068055099 /nfs/dbraw/zinc/05/50/99/1068055099.db2.gz OZXOBOUEEYADRK-GXTWGEPZSA-N 0 0 455.146 4.971 20 0 JJADRN COCc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC ZINC001462344176 1068055453 /nfs/dbraw/zinc/05/54/53/1068055453.db2.gz WGFDWICHYLAILI-HNNXBMFYSA-N 0 0 451.350 4.639 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(COC)c2)[C@H]1c1ccccc1OC ZINC001462343831 1068055471 /nfs/dbraw/zinc/05/54/71/1068055471.db2.gz SODYBEHFMPZUSR-PXDATVDWSA-N 0 0 454.567 4.569 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(COC)c2)[C@@H]1c1ccccc1OC ZINC001462343817 1068055520 /nfs/dbraw/zinc/05/55/20/1068055520.db2.gz SODYBEHFMPZUSR-BWKNWUBXSA-N 0 0 454.567 4.569 20 0 JJADRN CC(F)(F)c1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001462345197 1068055997 /nfs/dbraw/zinc/05/59/97/1068055997.db2.gz FUAYZOVLZDFRBE-OAHLLOKOSA-N 0 0 451.514 4.828 20 0 JJADRN CC(=O)N1CCN(c2ccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3C)cc2)CC1 ZINC001462347654 1068056171 /nfs/dbraw/zinc/05/61/71/1068056171.db2.gz ZVKUUSKOJPOAKE-UHFFFAOYSA-N 0 0 451.611 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Oc3ccccc3F)nc2)C1 ZINC001462348052 1068056583 /nfs/dbraw/zinc/05/65/83/1068056583.db2.gz GOEADMOVJNVYRW-UYAOXDASSA-N 0 0 455.530 4.875 20 0 JJADRN Cc1cccc(CC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1Br ZINC001462349544 1068056957 /nfs/dbraw/zinc/05/69/57/1068056957.db2.gz OKONVIRELJVMLH-MSOLQXFVSA-N 0 0 451.405 4.548 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462350149 1068057181 /nfs/dbraw/zinc/05/71/81/1068057181.db2.gz RBTNFENSVZILNA-HKUYNNGSSA-N 0 0 451.405 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001462351575 1068057532 /nfs/dbraw/zinc/05/75/32/1068057532.db2.gz YFZAYIFAPHPNCF-IEBWSBKVSA-N 0 0 459.587 4.735 20 0 JJADRN Cc1c(Br)cc(CN2CCNC(=O)[C@H]2CC2CCCCC2)cc1Br ZINC001462354917 1068057991 /nfs/dbraw/zinc/05/79/91/1068057991.db2.gz GQKLJHNQOORFNN-GOSISDBHSA-N 0 0 458.238 4.791 20 0 JJADRN O=C(Cc1ccc(I)cc1)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC001462356173 1068058375 /nfs/dbraw/zinc/05/83/75/1068058375.db2.gz PKORLHZUXVHDFE-MJGOQNOKSA-N 0 0 455.723 4.524 20 0 JJADRN O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1csc(I)c1Br ZINC001462356615 1068058426 /nfs/dbraw/zinc/05/84/26/1068058426.db2.gz BNROIKPHVNWGQJ-HTQZYQBOSA-N 0 0 480.087 4.742 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CCCC1 ZINC001546131078 1068059183 /nfs/dbraw/zinc/05/91/83/1068059183.db2.gz OGHBGLNRIFZFDT-SFHVURJKSA-N 0 0 474.447 4.640 20 0 JJADRN O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(Br)c1I ZINC001462368907 1068061765 /nfs/dbraw/zinc/06/17/65/1068061765.db2.gz SLBWLIMFLZTCOR-MWLCHTKSSA-N 0 0 474.058 4.681 20 0 JJADRN COCCC1(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372572 1068061962 /nfs/dbraw/zinc/06/19/62/1068061962.db2.gz LPCACSFVJWALPQ-XZOQPEGZSA-N 0 0 452.595 4.866 20 0 JJADRN COCCC1(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372570 1068062113 /nfs/dbraw/zinc/06/21/13/1068062113.db2.gz LPCACSFVJWALPQ-PKTZIBPZSA-N 0 0 452.595 4.866 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)no1 ZINC001462375129 1068062507 /nfs/dbraw/zinc/06/25/07/1068062507.db2.gz NCTDEQOOIVKYAL-UHFFFAOYSA-N 0 0 453.564 4.657 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc2c1NC(=O)CO2 ZINC001462384264 1068063748 /nfs/dbraw/zinc/06/37/48/1068063748.db2.gz HMNOVKGFVBNTIY-UHFFFAOYSA-N 0 0 459.886 4.685 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(CN2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 ZINC001462383371 1068063929 /nfs/dbraw/zinc/06/39/29/1068063929.db2.gz NWDAHXXHKPQUQI-CQSZACIVSA-N 0 0 457.785 4.909 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001462387986 1068064342 /nfs/dbraw/zinc/06/43/42/1068064342.db2.gz MKVOFGODOMYQJV-FDDCHVKYSA-N 0 0 454.567 4.919 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCOC[C@@H]3c3ccc(OC)cc3)s2)cc1 ZINC001462390262 1068064628 /nfs/dbraw/zinc/06/46/28/1068064628.db2.gz RCLPREXQMDXUNS-JOCHJYFZSA-N 0 0 452.576 4.994 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001462391970 1068064697 /nfs/dbraw/zinc/06/46/97/1068064697.db2.gz AFFZHZSRGLJEID-MDWZMJQESA-N 0 0 453.901 4.982 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)[C@@H]1c1cccc(C)c1 ZINC001462396603 1068065273 /nfs/dbraw/zinc/06/52/73/1068065273.db2.gz MTGBKTUXSLMBBY-BVAGGSTKSA-N 0 0 456.542 4.783 20 0 JJADRN COc1ccc(NC(=O)c2ccc3c(Br)cnn3c2)cc1C(=O)c1ccccc1 ZINC001462400915 1068065963 /nfs/dbraw/zinc/06/59/63/1068065963.db2.gz ZEUMVDVEMOSFIS-UHFFFAOYSA-N 0 0 450.292 4.589 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462422237 1068071119 /nfs/dbraw/zinc/07/11/19/1068071119.db2.gz MDBMSAZIJORYFZ-NZSAHSFTSA-N 0 0 455.396 4.985 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@@H]2CCCOC2)c1 ZINC001462422137 1068071306 /nfs/dbraw/zinc/07/13/06/1068071306.db2.gz DKOVGQYFAPNPIJ-ZJSXRUAMSA-N 0 0 458.624 4.617 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001462423264 1068071932 /nfs/dbraw/zinc/07/19/32/1068071932.db2.gz GHGWMAYUMNBHAJ-MRXNPFEDSA-N 0 0 453.789 4.898 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001462423455 1068071961 /nfs/dbraw/zinc/07/19/61/1068071961.db2.gz AEDWOCVCPOYKAV-LAUBAEHRSA-N 0 0 452.448 4.906 20 0 JJADRN C[C@]12CCN(Cc3nc(Cl)ccc3Br)C[C@H]1C2(Br)Br ZINC001462426126 1068072311 /nfs/dbraw/zinc/07/23/11/1068072311.db2.gz JAKVTPHJGDHVBI-PWSUYJOCSA-N 0 0 473.434 4.825 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)c1I ZINC001462426562 1068072359 /nfs/dbraw/zinc/07/23/59/1068072359.db2.gz IXZACWYTNNYDCQ-LBPRGKRZSA-N 0 0 455.193 4.894 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cs1)C(N)=O ZINC001462444750 1068075725 /nfs/dbraw/zinc/07/57/25/1068075725.db2.gz UQHMHEPLDLFEEC-JSGCOSHPSA-N 0 0 452.907 4.542 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445666 1068076163 /nfs/dbraw/zinc/07/61/63/1068076163.db2.gz QEONOPQVYJCMEN-HIHYSUTISA-N 0 0 450.526 4.672 20 0 JJADRN Clc1ccc(Oc2ccc(CN3CCN(c4nccnn4)CC3)c(Cl)c2)c(Cl)c1 ZINC001462451089 1068077289 /nfs/dbraw/zinc/07/72/89/1068077289.db2.gz BOQIIYIIHCNZKC-UHFFFAOYSA-N 0 0 450.757 4.946 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](c4ccccc4Cl)C3(C)C)C2=O)c1 ZINC001462453808 1068077779 /nfs/dbraw/zinc/07/77/79/1068077779.db2.gz QFWUIBIBXQPAKC-TZIWHRDSSA-N 0 0 453.970 4.648 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001462453083 1068077960 /nfs/dbraw/zinc/07/79/60/1068077960.db2.gz TYBUQFAPAGZMPR-IBGZPJMESA-N 0 0 450.963 4.931 20 0 JJADRN COc1ccc(Cc2nc3cc(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)ccc3[nH]2)cc1 ZINC001462457061 1068078650 /nfs/dbraw/zinc/07/86/50/1068078650.db2.gz GVNRLFCRGWWTJY-QFIPXVFZSA-N 0 0 450.583 4.678 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC001462459743 1068078893 /nfs/dbraw/zinc/07/88/93/1068078893.db2.gz SBPDCBJHRGRXSQ-INIZCTEOSA-N 0 0 454.368 4.672 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC001462462022 1068079289 /nfs/dbraw/zinc/07/92/89/1068079289.db2.gz KMEKSSBNSXVUBX-KRWDZBQOSA-N 0 0 453.564 4.595 20 0 JJADRN COc1ccc(Cc2nc3cc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)ccc3[nH]2)cc1 ZINC001462460948 1068079431 /nfs/dbraw/zinc/07/94/31/1068079431.db2.gz YXODMWQRFGTGPH-NRFANRHFSA-N 0 0 450.539 4.500 20 0 JJADRN C[C@@]1(c2ccccc2)CCCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001462463458 1068079879 /nfs/dbraw/zinc/07/98/79/1068079879.db2.gz BWPDGSIEQYYHHU-NRFANRHFSA-N 0 0 457.315 4.628 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)C2)nc1C ZINC001462464240 1068080084 /nfs/dbraw/zinc/08/00/84/1068080084.db2.gz OXQHWJBQBKBHRG-BBRMVZONSA-N 0 0 454.514 4.842 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1sccc1Br ZINC001462470132 1068081036 /nfs/dbraw/zinc/08/10/36/1068081036.db2.gz NUUNEHZBTMAPGD-UHFFFAOYSA-N 0 0 455.374 4.966 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001462473170 1068081467 /nfs/dbraw/zinc/08/14/67/1068081467.db2.gz QRGWFQWBYJFFMZ-KRWDZBQOSA-N 0 0 454.112 4.739 20 0 JJADRN COC(=O)[C@@H]1CN(Cc2cc(Br)c(C)c(Br)c2)Cc2ccccc21 ZINC001462479583 1068082577 /nfs/dbraw/zinc/08/25/77/1068082577.db2.gz LWRXRCXSCZMPJA-MRXNPFEDSA-N 0 0 453.174 4.792 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1CCc2cc(F)cc(Br)c2C1 ZINC001462483105 1068083019 /nfs/dbraw/zinc/08/30/19/1068083019.db2.gz VNURMBXRFZHXKS-UHFFFAOYSA-N 0 0 456.153 4.867 20 0 JJADRN CCOC(=O)[C@]1(NCc2cc(Br)sc2Br)CCc2ccccc21 ZINC001462486238 1068083488 /nfs/dbraw/zinc/08/34/88/1068083488.db2.gz QAMFLUJGBVHVNB-KRWDZBQOSA-N 0 0 459.203 4.768 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)c2ccccc2OCC(N)=O)ccc1Cl ZINC001462489728 1068084028 /nfs/dbraw/zinc/08/40/28/1068084028.db2.gz TUGCFWZOFKNDOS-UHFFFAOYSA-N 0 0 459.329 4.888 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)ccc1Cl ZINC001462490208 1068084251 /nfs/dbraw/zinc/08/42/51/1068084251.db2.gz ZLXDREAEBZLLGL-OAQYLSRUSA-N 0 0 459.333 4.637 20 0 JJADRN CN(C)C(=O)NCCc1ccc(N[C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490907 1068084342 /nfs/dbraw/zinc/08/43/42/1068084342.db2.gz KGXSPIQAKCEEKW-YADHBBJMSA-N 0 0 459.432 4.510 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3C[C@@H](C)CC3(C)C)nnc2-c2ccc(C)cc2)cc1 ZINC001462491180 1068084588 /nfs/dbraw/zinc/08/45/88/1068084588.db2.gz QWJMKOQGDMLICE-SFHVURJKSA-N 0 0 450.608 4.990 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC001462494680 1068084853 /nfs/dbraw/zinc/08/48/53/1068084853.db2.gz FICVZOFOTVELKM-HXUWFJFHSA-N 0 0 459.612 4.823 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3ccc4c(c3)CCCCC4=O)CC2)nc1C ZINC001462495042 1068084878 /nfs/dbraw/zinc/08/48/78/1068084878.db2.gz IFXXNDYTJOUASY-UHFFFAOYSA-N 0 0 454.592 4.632 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC001462493119 1068085006 /nfs/dbraw/zinc/08/50/06/1068085006.db2.gz BDXBWWXFTCYXEC-GOSISDBHSA-N 0 0 458.555 4.729 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)cc1 ZINC001462499374 1068085881 /nfs/dbraw/zinc/08/58/81/1068085881.db2.gz CXJXARSEIUHIBQ-RBZQAINGSA-N 0 0 466.578 4.628 20 0 JJADRN CCC(=O)N(C)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001462499356 1068085992 /nfs/dbraw/zinc/08/59/92/1068085992.db2.gz OHQJSTDNUYQPRJ-UHFFFAOYSA-N 0 0 450.560 4.594 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC001462499962 1068086436 /nfs/dbraw/zinc/08/64/36/1068086436.db2.gz DWPFVQOYZDHMEJ-KRWDZBQOSA-N 0 0 453.345 4.620 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001462500726 1068086651 /nfs/dbraw/zinc/08/66/51/1068086651.db2.gz OAQRTHLYYJQCSJ-MOPGFXCFSA-N 0 0 455.640 4.564 20 0 JJADRN COC(=O)c1ccn(CCCC(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)n1 ZINC001462501061 1068086779 /nfs/dbraw/zinc/08/67/79/1068086779.db2.gz GIQMNOXCHGAPRB-UHFFFAOYSA-N 0 0 459.905 4.660 20 0 JJADRN COC(=O)c1cnc(CC2CCN(C(=O)/C=C(\C)c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001462511319 1068087967 /nfs/dbraw/zinc/08/79/67/1068087967.db2.gz CZZMCBIPSFRIGB-SDNWHVSQSA-N 0 0 452.498 4.833 20 0 JJADRN O=C(c1ccccc1I)N1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001462514125 1068089691 /nfs/dbraw/zinc/08/96/91/1068089691.db2.gz QMYVLLKZFLZNQR-MRXNPFEDSA-N 0 0 457.315 4.701 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC001462518009 1068089915 /nfs/dbraw/zinc/08/99/15/1068089915.db2.gz SGLYUPYVNGZBDE-VXNXHJTFSA-N 0 0 450.579 4.928 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CCCc3sccc32)c1 ZINC001462519265 1068090199 /nfs/dbraw/zinc/09/01/99/1068090199.db2.gz YJAVYTBDUBDGNO-NHCUHLMSSA-N 0 0 456.608 4.997 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCN(C)C(C)(C)C3)cc12 ZINC001462524550 1068091497 /nfs/dbraw/zinc/09/14/97/1068091497.db2.gz IEHVUYKSUBAXCT-UHFFFAOYSA-N 0 0 451.423 4.928 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001462530248 1068092687 /nfs/dbraw/zinc/09/26/87/1068092687.db2.gz LBNBHUSCPACZMK-OFQRWUPVSA-N 0 0 453.258 4.566 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)NCc2cc3cc(Br)ccc3o2)n1 ZINC001462535030 1068093152 /nfs/dbraw/zinc/09/31/52/1068093152.db2.gz NSHACSSGOMIREX-UHFFFAOYSA-N 0 0 455.150 4.839 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)CCc2cnccn2)CCC1 ZINC001546132309 1068094279 /nfs/dbraw/zinc/09/42/79/1068094279.db2.gz DFZHEKFKYRSTFD-UHFFFAOYSA-N 0 0 485.430 4.765 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)cs1 ZINC001462540555 1068094671 /nfs/dbraw/zinc/09/46/71/1068094671.db2.gz FYXWEDSYLMNKME-AWEZNQCLSA-N 0 0 451.539 4.854 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001462542872 1068095120 /nfs/dbraw/zinc/09/51/20/1068095120.db2.gz NWBCKESBQCEUMS-SFHVURJKSA-N 0 0 455.954 4.967 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC001462543779 1068095207 /nfs/dbraw/zinc/09/52/07/1068095207.db2.gz RHSHKDNYTIPDTB-FQEVSTJZSA-N 0 0 452.505 4.598 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNc1ccccc1[C@H]1CCC(=O)N1 ZINC001462549235 1068096155 /nfs/dbraw/zinc/09/61/55/1068096155.db2.gz UJMDAHUHCYXKBJ-LJQANCHMSA-N 0 0 459.333 4.529 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(Cc3cc(OC)c(OC)cc3Cl)CC2)nc1C ZINC001462550838 1068096553 /nfs/dbraw/zinc/09/65/53/1068096553.db2.gz QYMBAPLLJSHEFY-UHFFFAOYSA-N 0 0 453.004 4.754 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CCCC1 ZINC001546132391 1068096788 /nfs/dbraw/zinc/09/67/88/1068096788.db2.gz HGSFGFRNNFAHAW-IEBWSBKVSA-N 0 0 463.022 4.818 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC001546132405 1068096914 /nfs/dbraw/zinc/09/69/14/1068096914.db2.gz HPXDGSLZBKTJMY-GOSISDBHSA-N 0 0 471.627 4.662 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H](O)Cc2cccc(Cl)c2)cs1)c1cccc(Cl)c1 ZINC001462554475 1068097604 /nfs/dbraw/zinc/09/76/04/1068097604.db2.gz NRPFAFBHTRYIEB-FQEVSTJZSA-N 0 0 450.391 4.828 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C(=O)c1ccc(C)c(C)c1Cl)C(C)C ZINC001462557141 1068098146 /nfs/dbraw/zinc/09/81/46/1068098146.db2.gz YOCHSAPUUIQBOJ-HNNXBMFYSA-N 0 0 450.988 4.991 20 0 JJADRN CC(=O)N(c1nc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cs1)c1ccccc1 ZINC001462560921 1068098613 /nfs/dbraw/zinc/09/86/13/1068098613.db2.gz UFUBALBDHJDDAL-UHFFFAOYSA-N 0 0 456.612 4.661 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001462565495 1068099575 /nfs/dbraw/zinc/09/95/75/1068099575.db2.gz FPIKQNRNYWLAGG-JTHBVZDNSA-N 0 0 455.961 4.802 20 0 JJADRN COC(=O)c1c(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc(C)c1C ZINC001462570097 1068099956 /nfs/dbraw/zinc/09/99/56/1068099956.db2.gz RBBZLMXVQBNMSD-AWEZNQCLSA-N 0 0 459.593 4.678 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccncc3)s2)c2ccccc21 ZINC001462567933 1068100069 /nfs/dbraw/zinc/10/00/69/1068100069.db2.gz NXEJYSYFEREOCR-KRWDZBQOSA-N 0 0 450.564 4.864 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CCCC1 ZINC001546132576 1068101941 /nfs/dbraw/zinc/10/19/41/1068101941.db2.gz NKRAATZJZJNDSI-IBGZPJMESA-N 0 0 488.474 4.949 20 0 JJADRN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CNc2ccc3c(c2)C=CC2(CCC2)O3)cnn1C ZINC001462576750 1068102462 /nfs/dbraw/zinc/10/24/62/1068102462.db2.gz FZUNRBGQNRVJFJ-LJQANCHMSA-N 0 0 452.599 4.852 20 0 JJADRN CCOc1cc(CN2C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1O ZINC001462579515 1068103133 /nfs/dbraw/zinc/10/31/33/1068103133.db2.gz VUZGPONEJIERBY-KBPBESRZSA-N 0 0 452.901 4.579 20 0 JJADRN COC(=O)[C@H](NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1cccc2ccccc21 ZINC001462589818 1068105821 /nfs/dbraw/zinc/10/58/21/1068105821.db2.gz VXGFYQSOZFZHGW-OAQYLSRUSA-N 0 0 453.539 4.592 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](OCCOC)C2)CC1 ZINC001546132637 1068105826 /nfs/dbraw/zinc/10/58/26/1068105826.db2.gz OZYHLOMVHDLSJY-KRWDZBQOSA-N 0 0 481.410 4.669 20 0 JJADRN Cc1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1-c1ccsc1 ZINC001462590642 1068106482 /nfs/dbraw/zinc/10/64/82/1068106482.db2.gz UDPVCZSAUMMIEV-UHFFFAOYSA-N 0 0 455.333 4.721 20 0 JJADRN CSCC[C@H](C(=O)Nc1ccc(C)c(-c2ccsc2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001462591053 1068106596 /nfs/dbraw/zinc/10/65/96/1068106596.db2.gz XKRDHUAHPGRTRG-SVFBPWRDSA-N 0 0 456.633 4.959 20 0 JJADRN C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)nc1 ZINC001462592019 1068107556 /nfs/dbraw/zinc/10/75/56/1068107556.db2.gz WGOUOJCUCHZEIY-AWEZNQCLSA-N 0 0 455.415 4.978 20 0 JJADRN Cc1ccc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1Br ZINC001462596768 1068108191 /nfs/dbraw/zinc/10/81/91/1068108191.db2.gz JOPXDWJGHLHZBO-PGRDOPGGSA-N 0 0 451.405 4.944 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c(-c3ccccc3)nc3sccn23)C[C@H]1C(F)(F)F ZINC001462595684 1068108299 /nfs/dbraw/zinc/10/82/99/1068108299.db2.gz XQRZZSLUHXTUTM-HZPDHXFCSA-N 0 0 466.529 4.950 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1nn(-c2ccccc2)cc1Br ZINC001462596491 1068108329 /nfs/dbraw/zinc/10/83/29/1068108329.db2.gz IKVNIPJFOPRTRV-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC001462596098 1068108337 /nfs/dbraw/zinc/10/83/37/1068108337.db2.gz LEEZSZQJSMSZBU-SFHVURJKSA-N 0 0 455.860 4.561 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)s2)cc1OC ZINC001462598536 1068108764 /nfs/dbraw/zinc/10/87/64/1068108764.db2.gz RXCICZUKJRUGAK-UHFFFAOYSA-N 0 0 457.861 4.825 20 0 JJADRN CC(C)OC1(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CCC1 ZINC001462598964 1068108785 /nfs/dbraw/zinc/10/87/85/1068108785.db2.gz VSDGWBGZLWJRMI-UHFFFAOYSA-N 0 0 459.384 4.708 20 0 JJADRN Cc1ccc2c(n1)N(C(=O)c1cc(S(=O)(=O)Nc3ccccc3F)ccc1Cl)CCC2 ZINC001462597950 1068108875 /nfs/dbraw/zinc/10/88/75/1068108875.db2.gz RNTYZRVLGHMVIA-UHFFFAOYSA-N 0 0 459.930 4.576 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC001462611511 1068111565 /nfs/dbraw/zinc/11/15/65/1068111565.db2.gz PLDNLSUEUSNKPX-SECBINFHSA-N 0 0 453.173 4.820 20 0 JJADRN O=C(Nc1cnc2ccccc2c1Br)c1nc(NCc2ccco2)ncc1Cl ZINC001462612637 1068112314 /nfs/dbraw/zinc/11/23/14/1068112314.db2.gz JEIXTGKLUPHNDI-UHFFFAOYSA-N 0 0 458.703 4.898 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](OCCOC)C2)CCC1 ZINC001546132881 1068114210 /nfs/dbraw/zinc/11/42/10/1068114210.db2.gz YOWUKRPBCPCPKU-GOSISDBHSA-N 0 0 450.986 4.950 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](OCCOC)C2)CCC1 ZINC001546132882 1068114232 /nfs/dbraw/zinc/11/42/32/1068114232.db2.gz YOWUKRPBCPCPKU-SFHVURJKSA-N 0 0 450.986 4.950 20 0 JJADRN Cc1cc(C(=O)NCC(F)(F)c2ccc(F)cc2F)nn1-c1ccccc1Br ZINC001462627139 1068116278 /nfs/dbraw/zinc/11/62/78/1068116278.db2.gz UVIYHWDCNFCPSX-UHFFFAOYSA-N 0 0 456.237 4.743 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(C)c(N3CCCC3)c2)CC1 ZINC001462628731 1068116960 /nfs/dbraw/zinc/11/69/60/1068116960.db2.gz NYZUIOPWKOIPOD-UHFFFAOYSA-N 0 0 455.986 4.748 20 0 JJADRN Cc1nc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c2ccccn12 ZINC001462633486 1068118910 /nfs/dbraw/zinc/11/89/10/1068118910.db2.gz GMEGWEJAIXRMHQ-CTNGQTDRSA-N 0 0 454.615 4.969 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001462639833 1068121629 /nfs/dbraw/zinc/12/16/29/1068121629.db2.gz FSDYTTXTTJVEAY-CQSZACIVSA-N 0 0 457.246 4.565 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccc3ccccc3c1Br)CC2 ZINC001462642537 1068121638 /nfs/dbraw/zinc/12/16/38/1068121638.db2.gz GPGOWGNFFDZBPC-UHFFFAOYSA-N 0 0 453.336 4.524 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CCO[C@H]3C)CCC2=O)c1 ZINC001462647005 1068122861 /nfs/dbraw/zinc/12/28/61/1068122861.db2.gz AAJFUUCIAWDZFS-AVRDEDQJSA-N 0 0 453.970 4.959 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)C[C@@H]3CN(c4ccccc4)C(=O)O3)c(F)c2)c(F)c1 ZINC001462646273 1068123085 /nfs/dbraw/zinc/12/30/85/1068123085.db2.gz OJIYZAGTCRWNET-LJQANCHMSA-N 0 0 452.457 4.738 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462653141 1068125301 /nfs/dbraw/zinc/12/53/01/1068125301.db2.gz GOTDPMHOCUQZOR-YADHBBJMSA-N 0 0 451.485 4.693 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001462657729 1068125954 /nfs/dbraw/zinc/12/59/54/1068125954.db2.gz KBAOMUAFZAKXLW-CQSZACIVSA-N 0 0 450.638 4.765 20 0 JJADRN Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC001462660602 1068126476 /nfs/dbraw/zinc/12/64/76/1068126476.db2.gz CYDXXWUOFLYLMS-HOCLYGCPSA-N 0 0 452.979 4.699 20 0 JJADRN C[C@H]1Cc2cc(CNC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)ccc2O1 ZINC001462658602 1068126559 /nfs/dbraw/zinc/12/65/59/1068126559.db2.gz HPQQOBIISDNEAR-ZDUSSCGKSA-N 0 0 455.308 4.548 20 0 JJADRN CCSc1ccccc1CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001462661679 1068127274 /nfs/dbraw/zinc/12/72/74/1068127274.db2.gz IFNVYUCXPRMSCX-OAQYLSRUSA-N 0 0 456.677 4.970 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC001462669170 1068127295 /nfs/dbraw/zinc/12/72/95/1068127295.db2.gz NTOKWOFKPVQNTE-IBGZPJMESA-N 0 0 451.372 4.661 20 0 JJADRN CCSc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001462667643 1068127902 /nfs/dbraw/zinc/12/79/02/1068127902.db2.gz ZTYUTQDLYVTLOJ-UHFFFAOYSA-N 0 0 454.617 4.596 20 0 JJADRN COc1ccc([C@H]2CN(Cc3cc(OC(F)F)ccc3Br)CCO2)cc1OC ZINC001462674091 1068128639 /nfs/dbraw/zinc/12/86/39/1068128639.db2.gz KCEHRJDJNSWLRA-LJQANCHMSA-N 0 0 458.299 4.641 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001462679389 1068129804 /nfs/dbraw/zinc/12/98/04/1068129804.db2.gz MTCCWMKHWYDGHW-UHFFFAOYSA-N 0 0 456.995 4.770 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(C)c1 ZINC001462679236 1068129898 /nfs/dbraw/zinc/12/98/98/1068129898.db2.gz RXASDWHUTUOKMD-OWZKRDHZSA-N 0 0 453.608 4.692 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001462686364 1068131264 /nfs/dbraw/zinc/13/12/64/1068131264.db2.gz GHXACMBPHHFGRL-FZMZJTMJSA-N 0 0 451.308 4.608 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001462684740 1068131333 /nfs/dbraw/zinc/13/13/33/1068131333.db2.gz UYMJPVWVWDMUHW-LJQANCHMSA-N 0 0 451.493 4.501 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC2 ZINC001462682888 1068131423 /nfs/dbraw/zinc/13/14/23/1068131423.db2.gz JBUIOBVHNHZQEQ-MRXNPFEDSA-N 0 0 455.546 4.940 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)cc12 ZINC001462686522 1068132087 /nfs/dbraw/zinc/13/20/87/1068132087.db2.gz YTDDMPBAPLTMFE-QGZVFWFLSA-N 0 0 458.937 4.720 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001462690384 1068132184 /nfs/dbraw/zinc/13/21/84/1068132184.db2.gz AJYWKVJWLDEPEC-JOYOIKCWSA-N 0 0 451.798 4.961 20 0 JJADRN COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001462693539 1068133433 /nfs/dbraw/zinc/13/34/33/1068133433.db2.gz FKBKYNOODWWPMA-UHFFFAOYSA-N 0 0 454.125 4.735 20 0 JJADRN CN(c1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC001462695493 1068134130 /nfs/dbraw/zinc/13/41/30/1068134130.db2.gz MYGWBDYZVXQMHN-UHFFFAOYSA-N 0 0 459.589 4.577 20 0 JJADRN C[C@H](NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)c1ccc(Br)cc1 ZINC001462694240 1068134205 /nfs/dbraw/zinc/13/42/05/1068134205.db2.gz HZAUKICWCLGNRI-ZDUSSCGKSA-N 0 0 458.337 4.692 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(NC(C)=O)c4ccccc43)ccc12 ZINC001462695716 1068134216 /nfs/dbraw/zinc/13/42/16/1068134216.db2.gz WABDPXFZDHWZIX-UHFFFAOYSA-N 0 0 451.500 4.625 20 0 JJADRN O=c1oc2cc(OS(=O)(=O)c3cscc3Br)ccc2c2c1CCCCC2 ZINC001462697136 1068134803 /nfs/dbraw/zinc/13/48/03/1068134803.db2.gz ZUWMZWMQIMDHSJ-UHFFFAOYSA-N 0 0 455.351 4.654 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC001462704851 1068136988 /nfs/dbraw/zinc/13/69/88/1068136988.db2.gz APOOQPJLSARXBM-CYBMUJFWSA-N 0 0 456.511 4.892 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)nc2)cc1 ZINC001462704652 1068137103 /nfs/dbraw/zinc/13/71/03/1068137103.db2.gz XJXKYVPMIZBGEC-LJQANCHMSA-N 0 0 455.308 4.899 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001462704634 1068137134 /nfs/dbraw/zinc/13/71/34/1068137134.db2.gz VQBUBHTVDCTAQE-ABAIWWIYSA-N 0 0 455.146 4.619 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)N[C@@H]1CCOc2ccc(Br)cc21 ZINC001462704639 1068137149 /nfs/dbraw/zinc/13/71/49/1068137149.db2.gz VTALVQFVOFIUHY-MRXNPFEDSA-N 0 0 457.137 4.923 20 0 JJADRN CC(C)COc1ncc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc1Cl ZINC001462706742 1068137800 /nfs/dbraw/zinc/13/78/00/1068137800.db2.gz IFRUKHDIAVBGSU-NYVOZVTQSA-N 0 0 456.970 4.896 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12 ZINC001462708050 1068138275 /nfs/dbraw/zinc/13/82/75/1068138275.db2.gz LKDIDPOVWQDFSJ-UHFFFAOYSA-N 0 0 459.011 4.787 20 0 JJADRN O=C(N1CC[C@@H](c2c(F)cccc2F)C1)C1(c2ccc(I)cc2)CC1 ZINC001462711613 1068139492 /nfs/dbraw/zinc/13/94/92/1068139492.db2.gz FMIUTCZEOHLCAM-CYBMUJFWSA-N 0 0 453.270 4.617 20 0 JJADRN O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001462714526 1068140070 /nfs/dbraw/zinc/14/00/70/1068140070.db2.gz IMPPIIMNQAAZQC-UHFFFAOYSA-N 0 0 459.882 4.874 20 0 JJADRN CCOCCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC001462715318 1068140100 /nfs/dbraw/zinc/14/01/00/1068140100.db2.gz WNMKAYPMDIIODE-UHFFFAOYSA-N 0 0 451.338 4.785 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)c(Br)c2)cc1)c1cccs1 ZINC001462714235 1068140150 /nfs/dbraw/zinc/14/01/50/1068140150.db2.gz HBMMYJIWSGRIBQ-UHFFFAOYSA-N 0 0 456.314 4.670 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1Cl ZINC001462717357 1068140628 /nfs/dbraw/zinc/14/06/28/1068140628.db2.gz WRASALDUGDGMOR-UHFFFAOYSA-N 0 0 458.967 4.952 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c(Cl)cc1NC(C)=O ZINC001462720353 1068141659 /nfs/dbraw/zinc/14/16/59/1068141659.db2.gz HCHLUPZDBYJTHX-UHFFFAOYSA-N 0 0 452.898 4.500 20 0 JJADRN CCOC(=O)COc1ccc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)cc1 ZINC001546133583 1068141669 /nfs/dbraw/zinc/14/16/69/1068141669.db2.gz SXTYFVPGRXMXDS-UHFFFAOYSA-N 0 0 454.914 4.685 20 0 JJADRN CC(C)c1cc(=O)oc2cc(OS(=O)(=O)Cc3ccc(F)cc3Br)ccc21 ZINC001462723858 1068143422 /nfs/dbraw/zinc/14/34/22/1068143422.db2.gz JLCNPBNGLCDXNI-UHFFFAOYSA-N 0 0 455.301 4.727 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2ccc3oc4c(c3c2)CCCC4)cnc1C(F)F ZINC001462727439 1068144646 /nfs/dbraw/zinc/14/46/46/1068144646.db2.gz YGYZLCFPEWCZDL-UHFFFAOYSA-N 0 0 451.447 4.589 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 ZINC001462728994 1068145887 /nfs/dbraw/zinc/14/58/87/1068145887.db2.gz GUPGOWAMCWRAME-UHFFFAOYSA-N 0 0 459.589 4.797 20 0 JJADRN O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1nc(Cc2ccccc2F)no1 ZINC001462730162 1068146415 /nfs/dbraw/zinc/14/64/15/1068146415.db2.gz LJDFTSPVCBYLTM-UHFFFAOYSA-N 0 0 456.930 4.800 20 0 JJADRN O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001462732633 1068147188 /nfs/dbraw/zinc/14/71/88/1068147188.db2.gz NMFIYJLXKWDPGZ-FUHWJXTLSA-N 0 0 454.013 4.803 20 0 JJADRN COC(=O)c1coc(S(=O)(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)c1 ZINC001462734348 1068147719 /nfs/dbraw/zinc/14/77/19/1068147719.db2.gz ZKKOYNVHGIADMJ-CQSZACIVSA-N 0 0 453.969 4.603 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001462739726 1068150056 /nfs/dbraw/zinc/15/00/56/1068150056.db2.gz ZTEMFJWTLJLAFI-UHFFFAOYSA-N 0 0 457.477 4.777 20 0 JJADRN Cc1ccc(CSCCNS(=O)(=O)c2cnc3c(Br)csc3c2)cc1 ZINC001462740329 1068150613 /nfs/dbraw/zinc/15/06/13/1068150613.db2.gz BJPQEORLUMATRR-UHFFFAOYSA-N 0 0 457.440 4.579 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001462742323 1068151316 /nfs/dbraw/zinc/15/13/16/1068151316.db2.gz VQMZKVCQUABFHR-XEKQOVJPSA-N 0 0 466.759 4.637 20 0 JJADRN CCCCc1oc2ccccc2c1CN(C)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC001462742239 1068151372 /nfs/dbraw/zinc/15/13/72/1068151372.db2.gz YGSOJBPFRWVOFB-UHFFFAOYSA-N 0 0 451.491 4.661 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC001462743349 1068151680 /nfs/dbraw/zinc/15/16/80/1068151680.db2.gz GJVFPPRPDOHBMZ-FQEVSTJZSA-N 0 0 456.402 4.922 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCN(C(=O)C(C)C)CC2)CCCC1 ZINC001546133993 1068151777 /nfs/dbraw/zinc/15/17/77/1068151777.db2.gz HWBWPTCJGHSUFF-UHFFFAOYSA-N 0 0 483.657 4.627 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC001462746237 1068153067 /nfs/dbraw/zinc/15/30/67/1068153067.db2.gz ISXJLUZCTTVXTI-UHFFFAOYSA-N 0 0 450.604 4.674 20 0 JJADRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c(C(C)C)c1 ZINC001462749862 1068154329 /nfs/dbraw/zinc/15/43/29/1068154329.db2.gz AFCBILCKARCDJI-OAQYLSRUSA-N 0 0 454.702 4.987 20 0 JJADRN O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750024 1068154439 /nfs/dbraw/zinc/15/44/39/1068154439.db2.gz RTQLOAHLEMOTKC-VQTJNVASSA-N 0 0 451.419 4.882 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC001462759041 1068157622 /nfs/dbraw/zinc/15/76/22/1068157622.db2.gz ONRINSFXTDTROK-IFMALSPDSA-N 0 0 452.551 4.824 20 0 JJADRN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 ZINC001462759981 1068158214 /nfs/dbraw/zinc/15/82/14/1068158214.db2.gz RGGSALDGWLFNBP-UHFFFAOYSA-N 0 0 453.560 4.822 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc4nc(C)cc(C)c4c3)cc2)cc1 ZINC001462760756 1068158265 /nfs/dbraw/zinc/15/82/65/1068158265.db2.gz CSRSSJLOSYXCBM-UHFFFAOYSA-N 0 0 453.542 4.971 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCC[C@H](SC)C2)CCOCC1 ZINC001546134092 1068158931 /nfs/dbraw/zinc/15/89/31/1068158931.db2.gz LDMRDBAJDOOVGD-FQEVSTJZSA-N 0 0 474.671 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC001462766367 1068160209 /nfs/dbraw/zinc/16/02/09/1068160209.db2.gz HZPIYPZSPIGWOV-JKSUJKDBSA-N 0 0 450.448 4.731 20 0 JJADRN COc1ccc(CCCCCC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001462766410 1068160255 /nfs/dbraw/zinc/16/02/55/1068160255.db2.gz ITMAUGVIDKFHKS-IBGZPJMESA-N 0 0 454.558 4.807 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462769025 1068161194 /nfs/dbraw/zinc/16/11/94/1068161194.db2.gz GATWLYNVEGCJDQ-JFIYKMOQSA-N 0 0 453.421 4.637 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1Cl ZINC001462769715 1068161877 /nfs/dbraw/zinc/16/18/77/1068161877.db2.gz WIJKLIGFTYWLLX-HXUWFJFHSA-N 0 0 459.823 4.872 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)s1 ZINC001462769583 1068161892 /nfs/dbraw/zinc/16/18/92/1068161892.db2.gz VTJURLFNYRAWCR-INIZCTEOSA-N 0 0 451.539 4.741 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2)ccn1 ZINC001462774355 1068163750 /nfs/dbraw/zinc/16/37/50/1068163750.db2.gz ATVFKBLKNWPFIO-XMMPIXPASA-N 0 0 457.486 4.563 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC001462773164 1068163756 /nfs/dbraw/zinc/16/37/56/1068163756.db2.gz YVPWLMRJXLEBTO-UHFFFAOYSA-N 0 0 453.516 4.554 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001546133824 1068165306 /nfs/dbraw/zinc/16/53/06/1068165306.db2.gz AZNNWGRBILAVBO-QFIPXVFZSA-N 0 0 474.671 4.574 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546133853 1068166496 /nfs/dbraw/zinc/16/64/96/1068166496.db2.gz BWUBBQOOFDEMKV-QFIPXVFZSA-N 0 0 499.656 4.654 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCCC1 ZINC001546133907 1068167485 /nfs/dbraw/zinc/16/74/85/1068167485.db2.gz DXNNOSNLRHCICF-HXUWFJFHSA-N 0 0 483.657 4.626 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2cccc(Cl)c2nc1C)c1ccccc1OC(F)(F)F ZINC001462794544 1068169616 /nfs/dbraw/zinc/16/96/16/1068169616.db2.gz VULXRILKSCNAFW-SFHVURJKSA-N 0 0 452.816 4.739 20 0 JJADRN COc1cc(CNS(=O)(=O)CC[C@@H]2CCc3ccccc32)ccc1OCc1ccccc1 ZINC001462795433 1068169632 /nfs/dbraw/zinc/16/96/32/1068169632.db2.gz KSVXMTCTKPDKNR-QHCPKHFHSA-N 0 0 451.588 4.814 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2F)c1)c1ccc(Br)cc1-n1cnnn1 ZINC001462798456 1068170669 /nfs/dbraw/zinc/17/06/69/1068170669.db2.gz RXUKGKMYFACBOE-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CC(C)(CCS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)C1CC1 ZINC001462805675 1068172207 /nfs/dbraw/zinc/17/22/07/1068172207.db2.gz LSMLKIUYORFMFO-UHFFFAOYSA-N 0 0 450.645 4.828 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(Br)c1 ZINC001462805768 1068172254 /nfs/dbraw/zinc/17/22/54/1068172254.db2.gz OEYMOQOQPYHGNV-UHFFFAOYSA-N 0 0 454.773 4.921 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CCC1 ZINC001546134182 1068172268 /nfs/dbraw/zinc/17/22/68/1068172268.db2.gz OGFBXNFENBVVFN-NRFANRHFSA-N 0 0 454.615 4.950 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(F)cc1F ZINC001462804394 1068172291 /nfs/dbraw/zinc/17/22/91/1068172291.db2.gz GMLXRURYQRNWFU-IBGZPJMESA-N 0 0 452.885 4.637 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCO[C@@H](c2ccccc2)C1 ZINC001462806119 1068172337 /nfs/dbraw/zinc/17/23/37/1068172337.db2.gz UERFOGBUCOHAJB-OAHLLOKOSA-N 0 0 451.169 4.518 20 0 JJADRN O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC(OCc2ccccc2)CC1 ZINC001462811754 1068173323 /nfs/dbraw/zinc/17/33/23/1068173323.db2.gz FGTPJFITSJUDDA-UHFFFAOYSA-N 0 0 458.805 4.614 20 0 JJADRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2C)cc1OCC ZINC001462811614 1068173359 /nfs/dbraw/zinc/17/33/59/1068173359.db2.gz DDEGOEWTQGTNIB-HNNXBMFYSA-N 0 0 456.402 4.736 20 0 JJADRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1OCC ZINC001462811588 1068173403 /nfs/dbraw/zinc/17/34/03/1068173403.db2.gz CQRQRXKPAVXYSK-MRXNPFEDSA-N 0 0 456.564 4.635 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001462812964 1068174042 /nfs/dbraw/zinc/17/40/42/1068174042.db2.gz CZPGSFQONBKKIQ-HXUWFJFHSA-N 0 0 453.391 4.664 20 0 JJADRN CCOCc1ccc(CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1 ZINC001462813391 1068174599 /nfs/dbraw/zinc/17/45/99/1068174599.db2.gz IXDJQCVEMVUJSJ-UHFFFAOYSA-N 0 0 453.185 4.771 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001462816044 1068175010 /nfs/dbraw/zinc/17/50/10/1068175010.db2.gz FDPKAKAPLXYNBI-IBGZPJMESA-N 0 0 456.539 4.857 20 0 JJADRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC001462816195 1068175069 /nfs/dbraw/zinc/17/50/69/1068175069.db2.gz MFTGZHVEJHORPL-CQSZACIVSA-N 0 0 451.734 4.578 20 0 JJADRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cscc1C(F)F ZINC001462820424 1068175749 /nfs/dbraw/zinc/17/57/49/1068175749.db2.gz WUNOGOCHWCPDLY-CYBMUJFWSA-N 0 0 455.335 4.784 20 0 JJADRN O=S(=O)(CC[C@@H]1CCc2ccccc21)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001462821844 1068176856 /nfs/dbraw/zinc/17/68/56/1068176856.db2.gz GVVNGXATZOLGKG-PGRDOPGGSA-N 0 0 451.007 4.656 20 0 JJADRN Cc1ccc(SCCNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC001462824638 1068178056 /nfs/dbraw/zinc/17/80/56/1068178056.db2.gz OFIDDDXPFKMGNF-UHFFFAOYSA-N 0 0 454.333 4.847 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC001462824279 1068178083 /nfs/dbraw/zinc/17/80/83/1068178083.db2.gz LUUMDCRNPTUUEV-ZIAGYGMSSA-N 0 0 454.461 4.919 20 0 JJADRN CCN(CC)[C@@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 ZINC001462825613 1068178413 /nfs/dbraw/zinc/17/84/13/1068178413.db2.gz HYYCJGMZOAKNET-KRWDZBQOSA-N 0 0 456.058 4.886 20 0 JJADRN O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001462825366 1068178473 /nfs/dbraw/zinc/17/84/73/1068178473.db2.gz NDAANTHCEQYQPH-OAHLLOKOSA-N 0 0 453.844 4.965 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)COc2ccc(-c3ccccc3)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC001462825879 1068178507 /nfs/dbraw/zinc/17/85/07/1068178507.db2.gz MUKLICNJTMHHSO-SQJMNOBHSA-N 0 0 470.903 4.752 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CCC1 ZINC001546134353 1068178551 /nfs/dbraw/zinc/17/85/51/1068178551.db2.gz UDFIBNDBNQYMDW-KRWDZBQOSA-N 0 0 451.537 4.607 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1cccc(OC(F)F)c1 ZINC001462826324 1068179203 /nfs/dbraw/zinc/17/92/03/1068179203.db2.gz QVKTZCRMVAALDN-SNVBAGLBSA-N 0 0 454.720 4.885 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC001462827022 1068179565 /nfs/dbraw/zinc/17/95/65/1068179565.db2.gz WQPKWOIMIXVHGI-FSBBVQABSA-N 0 0 458.814 4.652 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)n1 ZINC001462828514 1068180214 /nfs/dbraw/zinc/18/02/14/1068180214.db2.gz AVXPQJSKVWAVOZ-UHFFFAOYSA-N 0 0 457.905 4.682 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 ZINC001462829456 1068180798 /nfs/dbraw/zinc/18/07/98/1068180798.db2.gz GBLDJINSEUWFKU-UIOOFZCWSA-N 0 0 451.588 4.525 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc2)cc1 ZINC001462829711 1068180883 /nfs/dbraw/zinc/18/08/83/1068180883.db2.gz HZYZMTIILSNUQR-HXUWFJFHSA-N 0 0 459.980 4.811 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCc2ccc(Br)c(F)c2C1 ZINC001462829567 1068180897 /nfs/dbraw/zinc/18/08/97/1068180897.db2.gz RASDWQCJDDCMQG-UHFFFAOYSA-N 0 0 457.299 4.739 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@@H]1CCCC2(CCC2)O1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830709 1068182043 /nfs/dbraw/zinc/18/20/43/1068182043.db2.gz GWJODMLXXDBQDJ-GCJKJVERSA-N 0 0 457.596 4.803 20 0 JJADRN C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)CCCn1c(=O)oc2ccccc21 ZINC001462831469 1068182548 /nfs/dbraw/zinc/18/25/48/1068182548.db2.gz PPRKNCCCMGDXGG-QHCPKHFHSA-N 0 0 457.368 4.761 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462831639 1068182648 /nfs/dbraw/zinc/18/26/48/1068182648.db2.gz RYRVQJKVXIYLSD-CXAGYDPISA-N 0 0 467.397 4.532 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(I)cc1 ZINC001462833560 1068183759 /nfs/dbraw/zinc/18/37/59/1068183759.db2.gz UYQLSXREXXCQMC-LJQANCHMSA-N 0 0 455.361 4.891 20 0 JJADRN CCC1(Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546134483 1068185773 /nfs/dbraw/zinc/18/57/73/1068185773.db2.gz YSAOHPRVYHOUIG-JOCHJYFZSA-N 0 0 483.657 4.988 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)C1(c3ccccc3Br)CCCCC1)O2 ZINC001462838675 1068185793 /nfs/dbraw/zinc/18/57/93/1068185793.db2.gz HTGSADBYFZVVRS-SCYDXJQRSA-N 0 0 450.417 4.740 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N(C)CC(F)(F)F)CCOCC1 ZINC001546134480 1068185847 /nfs/dbraw/zinc/18/58/47/1068185847.db2.gz YOTRWKQPVXLJAA-UHFFFAOYSA-N 0 0 461.326 4.913 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)nn1-c1ccccc1F ZINC001462841087 1068186384 /nfs/dbraw/zinc/18/63/84/1068186384.db2.gz REKIWIIBEZONDE-CYBMUJFWSA-N 0 0 451.445 4.783 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C)cc3)o2)c1 ZINC001462842737 1068186891 /nfs/dbraw/zinc/18/68/91/1068186891.db2.gz KWHJWUDOOVJZIM-XMSQKQJNSA-N 0 0 476.577 4.945 20 0 JJADRN CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001462845508 1068188003 /nfs/dbraw/zinc/18/80/03/1068188003.db2.gz NPRGGWDKSFMBTI-GGAORHGYSA-N 0 0 479.404 4.624 20 0 JJADRN COC(=O)C[C@@H](C)CC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F ZINC001462845523 1068188057 /nfs/dbraw/zinc/18/80/57/1068188057.db2.gz NYCFQRAXJACCFO-AWEZNQCLSA-N 0 0 452.320 4.928 20 0 JJADRN O=S(=O)(Cc1ccsc1Br)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001462846849 1068188614 /nfs/dbraw/zinc/18/86/14/1068188614.db2.gz PFSQYYJJJJDOPV-UHFFFAOYSA-N 0 0 455.374 4.750 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2cccc(Sc3ccccc3)c2)cc(OC)c1OC ZINC001462849035 1068189307 /nfs/dbraw/zinc/18/93/07/1068189307.db2.gz XVDYUCXGKNFFCC-MRXNPFEDSA-N 0 0 459.589 4.903 20 0 JJADRN Cc1cn(CC(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)nc1C(F)(F)F ZINC001462851717 1068190470 /nfs/dbraw/zinc/19/04/70/1068190470.db2.gz SUWUNWMLDFIWSL-AWEZNQCLSA-N 0 0 458.278 4.536 20 0 JJADRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3cc(C(=O)OC)ccc3C)ccc21 ZINC001462854933 1068192422 /nfs/dbraw/zinc/19/24/22/1068192422.db2.gz NNHPRCBNWRLSIA-UHFFFAOYSA-N 0 0 450.560 4.730 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001462858908 1068193305 /nfs/dbraw/zinc/19/33/05/1068193305.db2.gz GPCCYNBISHOSAB-KRWDZBQOSA-N 0 0 459.319 4.720 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1OCCC(C)C ZINC001462858462 1068193342 /nfs/dbraw/zinc/19/33/42/1068193342.db2.gz PHNWACRLCZXYOV-AWEZNQCLSA-N 0 0 452.960 4.954 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1OCCC(C)C ZINC001462858463 1068193476 /nfs/dbraw/zinc/19/34/76/1068193476.db2.gz PHNWACRLCZXYOV-CQSZACIVSA-N 0 0 452.960 4.954 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546134656 1068194324 /nfs/dbraw/zinc/19/43/24/1068194324.db2.gz DJTYLYIILWCYNY-QFBILLFUSA-N 0 0 458.839 4.684 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462861439 1068194373 /nfs/dbraw/zinc/19/43/73/1068194373.db2.gz HUHFSNCQGIXORJ-UHFFFAOYSA-N 0 0 453.185 4.975 20 0 JJADRN COc1c(F)cc(Br)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462865328 1068195633 /nfs/dbraw/zinc/19/56/33/1068195633.db2.gz VXNGEOSYEMPILX-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1C(C)C ZINC001462864609 1068195687 /nfs/dbraw/zinc/19/56/87/1068195687.db2.gz FSDAXFMNBIVBJW-UHFFFAOYSA-N 0 0 455.624 4.781 20 0 JJADRN O=S(=O)(c1cccc2c1OCCO2)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001462865884 1068196085 /nfs/dbraw/zinc/19/60/85/1068196085.db2.gz PRBAIRSRNMWDJG-UHFFFAOYSA-N 0 0 455.498 4.510 20 0 JJADRN CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001462865498 1068196097 /nfs/dbraw/zinc/19/60/97/1068196097.db2.gz YURBEXCRNSTEMD-UHFFFAOYSA-N 0 0 452.292 4.687 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc(OC3CC3)cc2)ccc1OCc1ccccc1 ZINC001462867061 1068196743 /nfs/dbraw/zinc/19/67/43/1068196743.db2.gz GEWIOPLGAGMKSZ-GOSISDBHSA-N 0 0 453.560 4.855 20 0 JJADRN COc1cc(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)sc1Br ZINC001462868574 1068197374 /nfs/dbraw/zinc/19/73/74/1068197374.db2.gz DYWBYVJMCUFRKC-OAQYLSRUSA-N 0 0 453.177 4.579 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@H](C2CC2)O1)N(Cc1cccs1)c1ccc(Br)cc1 ZINC001462871901 1068198407 /nfs/dbraw/zinc/19/84/07/1068198407.db2.gz DPNDZWWFNOKRIJ-IEBWSBKVSA-N 0 0 456.427 4.805 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1C ZINC001462876276 1068199565 /nfs/dbraw/zinc/19/95/65/1068199565.db2.gz WAKOJEXOYJUZMG-MRXNPFEDSA-N 0 0 457.514 4.953 20 0 JJADRN Cc1ccnc(NC(=O)[C@@H]2COc3ccc(Br)cc32)c1C(=O)c1ccccc1F ZINC001462877876 1068200186 /nfs/dbraw/zinc/20/01/86/1068200186.db2.gz FLDCGVFWUWTFDS-MRXNPFEDSA-N 0 0 455.283 4.637 20 0 JJADRN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001462877974 1068200635 /nfs/dbraw/zinc/20/06/35/1068200635.db2.gz ZEQMQWUFWSJAOK-AOHZBQACSA-N 0 0 456.608 4.557 20 0 JJADRN CSc1cc(Br)ccc1C(=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F ZINC001462882385 1068202086 /nfs/dbraw/zinc/20/20/86/1068202086.db2.gz IGAZYXHOEAUGIY-UHFFFAOYSA-N 0 0 459.287 4.875 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N=[S@](C)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462883117 1068202148 /nfs/dbraw/zinc/20/21/48/1068202148.db2.gz WHFCTMWWGGDHRJ-KGFWSFAHSA-N 0 0 450.963 4.851 20 0 JJADRN CO[C@H](CS(=O)(=O)N(CCC(C)C)Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001462882183 1068202227 /nfs/dbraw/zinc/20/22/27/1068202227.db2.gz ZCWVETJOCQMCAW-HXUWFJFHSA-N 0 0 452.444 4.613 20 0 JJADRN Cc1ccc(CCC(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(Br)c1 ZINC001462882371 1068202257 /nfs/dbraw/zinc/20/22/57/1068202257.db2.gz IDVWQTPHXXKWRE-UHFFFAOYSA-N 0 0 455.274 4.780 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCC1)c1c(Cl)ccnc1Cl ZINC001462885230 1068202749 /nfs/dbraw/zinc/20/27/49/1068202749.db2.gz GFPVNZRLIPHMCJ-UHFFFAOYSA-N 0 0 450.185 4.551 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC001462886144 1068203193 /nfs/dbraw/zinc/20/31/93/1068203193.db2.gz IUMQGNLCTPTGIT-GFCCVEGCSA-N 0 0 456.789 4.531 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)c1 ZINC001462886094 1068203227 /nfs/dbraw/zinc/20/32/27/1068203227.db2.gz MVLYLQCNKMAJCQ-NRFANRHFSA-N 0 0 453.336 4.592 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc(Br)c1 ZINC001462886903 1068203418 /nfs/dbraw/zinc/20/34/18/1068203418.db2.gz XZSSQBJUXVSHDW-MUUNZHRXSA-N 0 0 457.349 4.999 20 0 JJADRN CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC001462888394 1068203824 /nfs/dbraw/zinc/20/38/24/1068203824.db2.gz OXLLTIGUPQGPEG-IBGZPJMESA-N 0 0 456.530 4.658 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)Nc3cc(Br)ccc3C(C)=O)n2)cc1 ZINC001462891517 1068204927 /nfs/dbraw/zinc/20/49/27/1068204927.db2.gz XNOKKZKQUUZAJJ-UHFFFAOYSA-N 0 0 458.312 4.672 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001462892149 1068205428 /nfs/dbraw/zinc/20/54/28/1068205428.db2.gz XWOWWDKZKRAMTM-UHFFFAOYSA-N 0 0 459.321 4.799 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001462893964 1068205941 /nfs/dbraw/zinc/20/59/41/1068205941.db2.gz NZDLYHRBFMVKDZ-KRWDZBQOSA-N 0 0 455.576 4.670 20 0 JJADRN CCCN(CC1CCCCC1)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC001462894399 1068206057 /nfs/dbraw/zinc/20/60/57/1068206057.db2.gz QWLATIXHZDJUFZ-UHFFFAOYSA-N 0 0 457.434 4.705 20 0 JJADRN O=C1OCCN1c1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001462895051 1068206533 /nfs/dbraw/zinc/20/65/33/1068206533.db2.gz TUDONXGJEFWBJW-JOCHJYFZSA-N 0 0 456.951 4.559 20 0 JJADRN O=C1OCCN1c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001462895052 1068206598 /nfs/dbraw/zinc/20/65/98/1068206598.db2.gz TUDONXGJEFWBJW-QFIPXVFZSA-N 0 0 456.951 4.559 20 0 JJADRN COc1ccc(S(=O)(=O)NCC2(c3cccc(F)c3)CCCCC2)c(Br)c1 ZINC001462895967 1068207086 /nfs/dbraw/zinc/20/70/86/1068207086.db2.gz FBHWHDOGTASZKO-UHFFFAOYSA-N 0 0 456.377 4.777 20 0 JJADRN CC(C)Oc1ccccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC001462897868 1068207576 /nfs/dbraw/zinc/20/75/76/1068207576.db2.gz DIZTYJQJWRPXBR-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)OCc1ccccc1I ZINC001462897094 1068207587 /nfs/dbraw/zinc/20/75/87/1068207587.db2.gz YRCOMILWMMOBMR-UHFFFAOYSA-N 0 0 450.194 4.866 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cc(F)ccc2OC(F)F)c2ccc(F)cc2)cc1 ZINC001462897589 1068207648 /nfs/dbraw/zinc/20/76/48/1068207648.db2.gz CRTPLERYDKGQCE-FQEVSTJZSA-N 0 0 455.429 4.643 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2cc(F)ccc2OC(F)F)c2ccc(F)cc2)cc1 ZINC001462897592 1068207683 /nfs/dbraw/zinc/20/76/83/1068207683.db2.gz CRTPLERYDKGQCE-HXUWFJFHSA-N 0 0 455.429 4.643 20 0 JJADRN C[C@H](COc1ccccc1F)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462901645 1068209281 /nfs/dbraw/zinc/20/92/81/1068209281.db2.gz NTPJLPWKXYPHNY-SECBINFHSA-N 0 0 457.148 4.641 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC001462903247 1068209721 /nfs/dbraw/zinc/20/97/21/1068209721.db2.gz XHXCHVQFPXOPPU-CQSZACIVSA-N 0 0 453.992 4.938 20 0 JJADRN CN(C)[S@@](=O)(=NS(=O)(=O)N(CC1CCCCC1)CC1CCCCC1)c1ccccc1 ZINC001462902981 1068209814 /nfs/dbraw/zinc/20/98/14/1068209814.db2.gz UYXKYAFLYHFFNR-LJAQVGFWSA-N 0 0 455.690 4.698 20 0 JJADRN COC(=O)CCOc1ccc(S(=O)(=O)N(CC2CCCCC2)CC2CCCCC2)cc1 ZINC001462903707 1068209967 /nfs/dbraw/zinc/20/99/67/1068209967.db2.gz YPEURYMJLVCWNR-UHFFFAOYSA-N 0 0 451.629 4.780 20 0 JJADRN CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001462905592 1068210392 /nfs/dbraw/zinc/21/03/92/1068210392.db2.gz FUECECPVYJHFNF-KRWDZBQOSA-N 0 0 458.555 4.970 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135087 1068211115 /nfs/dbraw/zinc/21/11/15/1068211115.db2.gz NCZUHLKOZZTLEG-VQIMIIECSA-N 0 0 458.839 4.684 20 0 JJADRN O=S(=O)(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC001462910037 1068211571 /nfs/dbraw/zinc/21/15/71/1068211571.db2.gz PEOZPJSXRDUKSL-UHFFFAOYSA-N 0 0 459.461 4.754 20 0 JJADRN CCCCc1nc(-c2ccc(OS(=O)(=O)c3cccc(C)c3Br)cc2)no1 ZINC001462910488 1068211723 /nfs/dbraw/zinc/21/17/23/1068211723.db2.gz QPMODSBGMQHLAI-UHFFFAOYSA-N 0 0 451.342 4.918 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1 ZINC001462910746 1068212290 /nfs/dbraw/zinc/21/22/90/1068212290.db2.gz IRQPGWVGCKWNND-LBPRGKRZSA-N 0 0 452.292 4.522 20 0 JJADRN CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462912163 1068212511 /nfs/dbraw/zinc/21/25/11/1068212511.db2.gz ZPSYPSLHNGZGQG-IEBWSBKVSA-N 0 0 450.601 4.935 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001462912708 1068212593 /nfs/dbraw/zinc/21/25/93/1068212593.db2.gz YSBUSXRWHYNRKI-GOSISDBHSA-N 0 0 458.805 4.614 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001462912489 1068212605 /nfs/dbraw/zinc/21/26/05/1068212605.db2.gz WAZDHWDRSHTMMJ-JOCHJYFZSA-N 0 0 456.518 4.589 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccc2ccccc2n1 ZINC001462913689 1068213082 /nfs/dbraw/zinc/21/30/82/1068213082.db2.gz HYUHWTOCQJCQFD-UHFFFAOYSA-N 0 0 452.555 4.798 20 0 JJADRN C[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)c1c(F)cccc1F ZINC001462916748 1068213157 /nfs/dbraw/zinc/21/31/57/1068213157.db2.gz OAZZCBWSPVXKJJ-GFCCVEGCSA-N 0 0 452.242 4.851 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)oc2c1C(=O)CCC2 ZINC001462917165 1068213650 /nfs/dbraw/zinc/21/36/50/1068213650.db2.gz LBKZHVFIWCWXML-OAHLLOKOSA-N 0 0 456.514 4.590 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N(Cc2cccc(Br)c2)C(C)C)c1 ZINC001462917095 1068213807 /nfs/dbraw/zinc/21/38/07/1068213807.db2.gz UKQZKEUBJHDXDE-UHFFFAOYSA-N 0 0 454.386 4.534 20 0 JJADRN O=C(Nc1cc(Br)ccc1C1=NCCO1)c1cc(Cl)ccc1Br ZINC001462919969 1068214376 /nfs/dbraw/zinc/21/43/76/1068214376.db2.gz RWKJWCMEXZVGGY-UHFFFAOYSA-N 0 0 458.537 4.894 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cc(F)c(F)c(F)c2)[C@@H]1C ZINC001462921838 1068215330 /nfs/dbraw/zinc/21/53/30/1068215330.db2.gz QZMQVAKCSZKYQC-LPMFXHHGSA-N 0 0 455.498 4.848 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC001462922394 1068215347 /nfs/dbraw/zinc/21/53/47/1068215347.db2.gz CDAVSXPYDTXUKR-UHFFFAOYSA-N 0 0 453.560 4.593 20 0 JJADRN CC(C)(C)[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001462923041 1068216076 /nfs/dbraw/zinc/21/60/76/1068216076.db2.gz VRBLXKNEYFIXEE-WTIAFYNJSA-N 0 0 476.614 4.927 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(Cl)c(N(C)C)c3)cc2)cc1 ZINC001462924162 1068216101 /nfs/dbraw/zinc/21/61/01/1068216101.db2.gz DOMUVCHACZTZPD-UHFFFAOYSA-N 0 0 451.954 4.526 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cc(F)cc3cccnc32)C1 ZINC001462925226 1068216547 /nfs/dbraw/zinc/21/65/47/1068216547.db2.gz AIIVMXNFVLSAAL-HNNXBMFYSA-N 0 0 453.489 4.857 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(OCc2cccnc2)cc1 ZINC001462925269 1068216587 /nfs/dbraw/zinc/21/65/87/1068216587.db2.gz NOFMUDZQPGRQFM-CQSZACIVSA-N 0 0 454.445 4.858 20 0 JJADRN CCN(c1cccc(Br)c1)S(=O)(=O)c1c[nH]c2c1cccc2Br ZINC001462926416 1068216717 /nfs/dbraw/zinc/21/67/17/1068216717.db2.gz KKYRESWFUSERCG-UHFFFAOYSA-N 0 0 458.175 4.908 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C)c3)c(C(F)(F)F)c2)n1 ZINC001462926857 1068217143 /nfs/dbraw/zinc/21/71/43/1068217143.db2.gz NKTJRIIAVNBJSM-UHFFFAOYSA-N 0 0 457.905 4.948 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)c1c(F)ccc(I)c1Cl ZINC001462928786 1068217709 /nfs/dbraw/zinc/21/77/09/1068217709.db2.gz HPKNMLUTSVLRJW-LLVKDONJSA-N 0 0 453.723 4.799 20 0 JJADRN O=S(=O)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl ZINC001462929551 1068218156 /nfs/dbraw/zinc/21/81/56/1068218156.db2.gz XKGKJBOHMSCZNW-UHFFFAOYSA-N 0 0 450.269 4.676 20 0 JJADRN Cc1nc(S(=O)(=O)NCCc2cc(Br)ccc2F)c(-c2ccccc2)s1 ZINC001462930583 1068218571 /nfs/dbraw/zinc/21/85/71/1068218571.db2.gz QVENIJNQWIGVPE-UHFFFAOYSA-N 0 0 455.374 4.541 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@H]1CCc2cccc3cccc1c32 ZINC001462931243 1068218589 /nfs/dbraw/zinc/21/85/89/1068218589.db2.gz XVGMUMMOZRERFK-FQEVSTJZSA-N 0 0 455.327 4.665 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)Cn2ccc3ccc(F)cc32)C1 ZINC001462930384 1068218596 /nfs/dbraw/zinc/21/85/96/1068218596.db2.gz KTMUHRXBKNRZOZ-INIZCTEOSA-N 0 0 455.505 4.650 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001462930406 1068218634 /nfs/dbraw/zinc/21/86/34/1068218634.db2.gz KWROXRWUIAEVRT-KWOQKUFVSA-N 0 0 468.569 4.646 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)ccc1SC ZINC001462930907 1068218668 /nfs/dbraw/zinc/21/86/68/1068218668.db2.gz ODKSDQVLEIJKBQ-UHFFFAOYSA-N 0 0 455.470 4.892 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)c2cc(Cl)cc(Br)c2)ccc1SC ZINC001462930879 1068218701 /nfs/dbraw/zinc/21/87/01/1068218701.db2.gz NQYLQRRLZVZCQB-UHFFFAOYSA-N 0 0 450.807 4.654 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462932012 1068219776 /nfs/dbraw/zinc/21/97/76/1068219776.db2.gz RJRCINHGFJTJSL-QUCCMNQESA-N 0 0 456.558 4.769 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001462933787 1068220215 /nfs/dbraw/zinc/22/02/15/1068220215.db2.gz XAEAZGMXOWISOQ-AWEZNQCLSA-N 0 0 450.913 4.891 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc(Cl)nc1F ZINC001462933911 1068220293 /nfs/dbraw/zinc/22/02/93/1068220293.db2.gz GJWWANVHNSGVMN-UHFFFAOYSA-N 0 0 455.914 4.702 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC001462934702 1068220675 /nfs/dbraw/zinc/22/06/75/1068220675.db2.gz IYJXVNABQQFKLY-GFCCVEGCSA-N 0 0 450.807 4.568 20 0 JJADRN CC1(C)CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c2ccccc21 ZINC001462936849 1068221417 /nfs/dbraw/zinc/22/14/17/1068221417.db2.gz PJUFOMJWSQZPTM-OXJNMPFZSA-N 0 0 450.000 4.846 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001462938545 1068221928 /nfs/dbraw/zinc/22/19/28/1068221928.db2.gz WIXUFFBKCCYPNS-LJQANCHMSA-N 0 0 457.036 4.757 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC001462938062 1068221941 /nfs/dbraw/zinc/22/19/41/1068221941.db2.gz QQVJCRWABIVSSC-UHFFFAOYSA-N 0 0 459.589 4.943 20 0 JJADRN CN(C)c1cc(NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)ccc1Cl ZINC001462939143 1068222082 /nfs/dbraw/zinc/22/20/82/1068222082.db2.gz ZRIXXKJICOWUGK-HXUWFJFHSA-N 0 0 456.974 4.962 20 0 JJADRN CC(C)c1ccc(NC(=O)Cc2ccc(I)c(Br)c2)cn1 ZINC001462941258 1068222521 /nfs/dbraw/zinc/22/25/21/1068222521.db2.gz IAMFLKMZRHCSNH-UHFFFAOYSA-N 0 0 459.125 4.753 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Oc3ccc(C(C)=O)c(Cl)c3)cc2)c1 ZINC001462942940 1068222885 /nfs/dbraw/zinc/22/28/85/1068222885.db2.gz SLGRHGATDRMARC-UHFFFAOYSA-N 0 0 453.878 4.788 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(C)c3ncccc23)cc1 ZINC001462944795 1068223294 /nfs/dbraw/zinc/22/32/94/1068223294.db2.gz GLFGYDUGJIMZRH-QHCPKHFHSA-N 0 0 450.535 4.953 20 0 JJADRN COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)ccc2ncccc21 ZINC001462944513 1068223356 /nfs/dbraw/zinc/22/33/56/1068223356.db2.gz FOSPHHBGJFGDQM-MRXNPFEDSA-N 0 0 452.498 4.960 20 0 JJADRN CC(C)O[C@]1(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCOC1 ZINC001462945469 1068223919 /nfs/dbraw/zinc/22/39/19/1068223919.db2.gz YAADUNPICNROMA-VWLOTQADSA-N 0 0 453.970 4.566 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@H](C2CC2)O1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462945676 1068223969 /nfs/dbraw/zinc/22/39/69/1068223969.db2.gz BQLCZXLXBXSHAS-WIYYLYMNSA-N 0 0 455.407 4.678 20 0 JJADRN COc1cccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1F ZINC001462946327 1068224591 /nfs/dbraw/zinc/22/45/91/1068224591.db2.gz DWBGNZSKVFLEOC-UHFFFAOYSA-N 0 0 455.338 4.927 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)N(CCc2ccccc2F)C2CCCC2)cc1)C(F)(F)F ZINC001462947646 1068225117 /nfs/dbraw/zinc/22/51/17/1068225117.db2.gz RGFCQQBIIARTJF-UHFFFAOYSA-N 0 0 458.477 4.503 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@H](CC)c2ccccc2)c(Br)c1 ZINC001462951188 1068226159 /nfs/dbraw/zinc/22/61/59/1068226159.db2.gz AUZWCAWSTHAESW-GOSISDBHSA-N 0 0 454.386 4.788 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@@H](CC)c2ccccc2)c(Br)c1 ZINC001462951191 1068226308 /nfs/dbraw/zinc/22/63/08/1068226308.db2.gz AUZWCAWSTHAESW-SFHVURJKSA-N 0 0 454.386 4.788 20 0 JJADRN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N(Cc1cccc(Br)c1)C1CC1 ZINC001462952652 1068226900 /nfs/dbraw/zinc/22/69/00/1068226900.db2.gz DTKOWBXOHWMCLJ-UHFFFAOYSA-N 0 0 452.267 4.960 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(COc3cccc(Br)c3)o1)[C@@H]2C ZINC001462953459 1068227608 /nfs/dbraw/zinc/22/76/08/1068227608.db2.gz NUECOAIIUYYVHU-CQSZACIVSA-N 0 0 459.344 4.553 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)NCc1csc(Br)c1 ZINC001462952893 1068227645 /nfs/dbraw/zinc/22/76/45/1068227645.db2.gz HPVWONKMBVQREA-UHFFFAOYSA-N 0 0 459.612 4.546 20 0 JJADRN COc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)ncn2C(C)C)cc1N1CCNC1=O ZINC001462954148 1068228150 /nfs/dbraw/zinc/22/81/50/1068228150.db2.gz SBLOWDKYGSXZEZ-UHFFFAOYSA-N 0 0 453.930 4.575 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135356 1068228173 /nfs/dbraw/zinc/22/81/73/1068228173.db2.gz UUPYGBHFDWPASU-RBBKRZOGSA-N 0 0 455.917 4.538 20 0 JJADRN CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC001462954652 1068228267 /nfs/dbraw/zinc/22/82/67/1068228267.db2.gz NMBVECSCBPMNDK-OAHLLOKOSA-N 0 0 456.793 4.912 20 0 JJADRN Cc1nc(-c2ccc(CNS(=O)(=O)c3cc(F)c(Br)cc3C)cc2)cs1 ZINC001462957183 1068229739 /nfs/dbraw/zinc/22/97/39/1068229739.db2.gz CTHICLMISWHCSW-UHFFFAOYSA-N 0 0 455.374 4.807 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cccc(-c2nc(C)cs2)c1)c1cccc(Br)c1 ZINC001462961862 1068230056 /nfs/dbraw/zinc/23/00/56/1068230056.db2.gz KIHFVOLBSHZEEQ-OAQYLSRUSA-N 0 0 459.365 4.699 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cccc(-c2nc(C)cs2)c1)c1cccc(Br)c1 ZINC001462961861 1068230286 /nfs/dbraw/zinc/23/02/86/1068230286.db2.gz KIHFVOLBSHZEEQ-NRFANRHFSA-N 0 0 459.365 4.699 20 0 JJADRN O=C(NCC[C@H]1CCC2(CCC2)O1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001462965324 1068231434 /nfs/dbraw/zinc/23/14/34/1068231434.db2.gz GVBKNDSXRQPDJG-HXUWFJFHSA-N 0 0 457.368 4.923 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1C(F)(F)F ZINC001462964840 1068231677 /nfs/dbraw/zinc/23/16/77/1068231677.db2.gz XFOHBBBUPRCQJF-LJQANCHMSA-N 0 0 459.461 4.841 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)cc1Br ZINC001462969151 1068232725 /nfs/dbraw/zinc/23/27/25/1068232725.db2.gz HRYJNLOPBXZELJ-UHFFFAOYSA-N 0 0 453.383 4.700 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)c2c(F)cccc2F)c2ccccc21 ZINC001462974116 1068234457 /nfs/dbraw/zinc/23/44/57/1068234457.db2.gz JGSDIJWWNFOBFO-IRXDYDNUSA-N 0 0 458.505 4.735 20 0 JJADRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001462975886 1068234941 /nfs/dbraw/zinc/23/49/41/1068234941.db2.gz ISRJGVNAKYXMES-UHFFFAOYSA-N 0 0 452.458 4.896 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@H]1c1ccccc1OC ZINC001462976367 1068235059 /nfs/dbraw/zinc/23/50/59/1068235059.db2.gz NKCASIKHWJDEOH-QFQXNSOFSA-N 0 0 458.562 4.871 20 0 JJADRN O=S(=O)(c1ccc(C(F)F)cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001462977886 1068236295 /nfs/dbraw/zinc/23/62/95/1068236295.db2.gz QAKLVVCTGAQBRQ-HNNXBMFYSA-N 0 0 453.898 4.896 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N(C)CCCc1cc(-c3ccc(F)cc3)no1)=C2 ZINC001462978016 1068236321 /nfs/dbraw/zinc/23/63/21/1068236321.db2.gz QKPRXNXPVFAZDN-UHFFFAOYSA-N 0 0 456.539 4.671 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC001462978151 1068236399 /nfs/dbraw/zinc/23/63/99/1068236399.db2.gz GKQWBEGPHBLTHC-UHFFFAOYSA-N 0 0 455.399 4.727 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2)cc1Br ZINC001462978461 1068236427 /nfs/dbraw/zinc/23/64/27/1068236427.db2.gz XIYHJHYEKAEJPX-FQEVSTJZSA-N 0 0 451.386 4.714 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cc(F)c1F ZINC001462978545 1068236955 /nfs/dbraw/zinc/23/69/55/1068236955.db2.gz BRGOBSJYFLSODL-CQSZACIVSA-N 0 0 450.507 4.863 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc2nc(Cl)ccc2s1)c1cccc(Br)c1 ZINC001462981483 1068238113 /nfs/dbraw/zinc/23/81/13/1068238113.db2.gz PVNLCQOKSUHSPK-UHFFFAOYSA-N 0 0 459.818 4.968 20 0 JJADRN COc1c(F)cc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC001462981372 1068238180 /nfs/dbraw/zinc/23/81/80/1068238180.db2.gz ISHZPTQEQIDBJL-SFHVURJKSA-N 0 0 454.361 4.828 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC001462982948 1068238650 /nfs/dbraw/zinc/23/86/50/1068238650.db2.gz XLPBBDZFKRBWIU-HSZRJFAPSA-N 0 0 454.979 4.938 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)c1c(Cl)cccc1Cl ZINC001462984220 1068239303 /nfs/dbraw/zinc/23/93/03/1068239303.db2.gz RUBRVLDOQQMZIV-JTQLQIEISA-N 0 0 455.285 4.576 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC001462985434 1068239936 /nfs/dbraw/zinc/23/99/36/1068239936.db2.gz WTPFWOVQMCKHRE-KRWDZBQOSA-N 0 0 455.532 4.704 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001462988559 1068240999 /nfs/dbraw/zinc/24/09/99/1068240999.db2.gz FFZMSYKQCMGMHZ-FUHWJXTLSA-N 0 0 459.543 4.621 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cc4ccccc4c(OC)c3)cc2)cc1 ZINC001462989543 1068241637 /nfs/dbraw/zinc/24/16/37/1068241637.db2.gz HQARCUSSENNNKD-UHFFFAOYSA-N 0 0 454.526 4.968 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001462991257 1068242127 /nfs/dbraw/zinc/24/21/27/1068242127.db2.gz NGNZGXAWDIJSIN-AEFFLSMTSA-N 0 0 459.543 4.621 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001462991108 1068242207 /nfs/dbraw/zinc/24/22/07/1068242207.db2.gz KZOWAKKODZOVIM-MRXNPFEDSA-N 0 0 453.010 4.565 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC3([C@H]4CCCCO4)CC3)cs2)cc1 ZINC001462996385 1068243144 /nfs/dbraw/zinc/24/31/44/1068243144.db2.gz XZJLXJHYINRVTO-LJQANCHMSA-N 0 0 457.596 4.912 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)CC[C@H]2CCc3ccccc32)cc1OC ZINC001462994262 1068243377 /nfs/dbraw/zinc/24/33/77/1068243377.db2.gz XNMHPLNHAOTGCW-PKTZIBPZSA-N 0 0 457.636 4.941 20 0 JJADRN O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCc2cc(Br)cc(F)c21 ZINC001463000442 1068245171 /nfs/dbraw/zinc/24/51/71/1068245171.db2.gz UZIGRIPWJZIBRP-UHFFFAOYSA-N 0 0 452.267 4.835 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3F)C2)cc(C)c1OCc1ccccc1 ZINC001463002879 1068245624 /nfs/dbraw/zinc/24/56/24/1068245624.db2.gz CCXTYFONLGXFJZ-XMMPIXPASA-N 0 0 455.551 4.784 20 0 JJADRN O=S(=O)(Cc1cccc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001463001697 1068245652 /nfs/dbraw/zinc/24/56/52/1068245652.db2.gz QREHPJLAXWQDJM-DEOSSOPVSA-N 0 0 458.986 4.716 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1cnn(-c2ccccc2OC)c1)c1cccc(C(F)(F)F)c1 ZINC001463001966 1068245832 /nfs/dbraw/zinc/24/58/32/1068245832.db2.gz MHRSWYVUHKFYJT-SFHVURJKSA-N 0 0 453.486 4.719 20 0 JJADRN NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 ZINC001463004202 1068246166 /nfs/dbraw/zinc/24/61/66/1068246166.db2.gz JWJZGOYNIKBOSN-HXUWFJFHSA-N 0 0 455.407 4.562 20 0 JJADRN O=S(=O)(C[C@@H]1COc2ccccc2O1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463006008 1068247587 /nfs/dbraw/zinc/24/75/87/1068247587.db2.gz NXOXSDVSZUYGIB-LEWJYISDSA-N 0 0 450.000 4.591 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c1 ZINC001463008660 1068248719 /nfs/dbraw/zinc/24/87/19/1068248719.db2.gz MIWWMHZKOLGEBM-UQBPGWFLSA-N 0 0 453.539 4.530 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)c2cccc(C(N)=O)c2)[C@H]1C ZINC001463009733 1068249207 /nfs/dbraw/zinc/24/92/07/1068249207.db2.gz LCZSMWBKZKOOST-WIEQDCTASA-N 0 0 452.979 4.594 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1C(F)(F)F ZINC001463010085 1068249826 /nfs/dbraw/zinc/24/98/26/1068249826.db2.gz WHQOZXYLDLYDNB-PBHICJAKSA-N 0 0 458.521 4.981 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NC1(c2ccc(OC)cc2)CCCC1 ZINC001463014161 1068251633 /nfs/dbraw/zinc/25/16/33/1068251633.db2.gz KJFOKHHSIQDHFD-UHFFFAOYSA-N 0 0 454.386 4.604 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)[C@H](C)NC(=O)OC(C)(C)C ZINC001463015005 1068251974 /nfs/dbraw/zinc/25/19/74/1068251974.db2.gz AAGUPJFNHXGKCE-ZQIUZPCESA-N 0 0 450.967 4.753 20 0 JJADRN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463016363 1068252731 /nfs/dbraw/zinc/25/27/31/1068252731.db2.gz PTCFJHFAWCPSMV-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN Cc1ccccc1CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001463019125 1068253990 /nfs/dbraw/zinc/25/39/90/1068253990.db2.gz LNYWVGMOAIGWGM-FQEVSTJZSA-N 0 0 452.016 4.896 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)S(=O)(=O)c1c(C)cc(C)c(F)c1C ZINC001463020733 1068254587 /nfs/dbraw/zinc/25/45/87/1068254587.db2.gz WFSKRZLGSYCUTH-UHFFFAOYSA-N 0 0 459.587 4.627 20 0 JJADRN COC(=O)c1cccc2c1CCN2C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC001463020469 1068254763 /nfs/dbraw/zinc/25/47/63/1068254763.db2.gz WGMQLPTXRVQGLI-UHFFFAOYSA-N 0 0 451.906 4.917 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001463023709 1068255875 /nfs/dbraw/zinc/25/58/75/1068255875.db2.gz FQXBBHAQFDCGQP-PKOBYXMFSA-N 0 0 452.414 4.928 20 0 JJADRN O=S(=O)(N[C@@H]1CCc2c1cccc2Br)c1ccc(OCc2ccccc2)cc1 ZINC001463025812 1068256343 /nfs/dbraw/zinc/25/63/43/1068256343.db2.gz PZUKRZXGGVFGFM-JOCHJYFZSA-N 0 0 458.377 4.994 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc2c(c1)CCC(=O)N2 ZINC001463028407 1068256887 /nfs/dbraw/zinc/25/68/87/1068256887.db2.gz XOVDLYMEVQAALY-CYBMUJFWSA-N 0 0 459.365 4.527 20 0 JJADRN Cn1nc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1C(F)(F)F ZINC001463029780 1068256964 /nfs/dbraw/zinc/25/69/64/1068256964.db2.gz DSZKIABGBWSPNA-QGZVFWFLSA-N 0 0 454.246 4.960 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001463029794 1068257021 /nfs/dbraw/zinc/25/70/21/1068257021.db2.gz CUGNBGFVJKCZRE-UHFFFAOYSA-N 0 0 452.718 4.714 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2cc(C)cs2)c2ccccc2)cc1Br ZINC001463039845 1068260916 /nfs/dbraw/zinc/26/09/16/1068260916.db2.gz HAQKWWPNIWFXJQ-LJQANCHMSA-N 0 0 452.395 4.896 20 0 JJADRN CCOC(=O)c1ccc(CS(=O)(=O)N(CC)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC001463042823 1068261790 /nfs/dbraw/zinc/26/17/90/1068261790.db2.gz VJZWHPXBXVXHPH-XMMPIXPASA-N 0 0 455.551 4.944 20 0 JJADRN CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001463043939 1068262452 /nfs/dbraw/zinc/26/24/52/1068262452.db2.gz YRRFMHPRJVUEOD-FQEVSTJZSA-N 0 0 456.608 4.668 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@@H]2CCSC(C)(C)C2)cc1OC ZINC001463045728 1068263159 /nfs/dbraw/zinc/26/31/59/1068263159.db2.gz DPSTXQUDYVVXND-GOSISDBHSA-N 0 0 451.592 4.961 20 0 JJADRN C[C@H]1[C@H](C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001463045852 1068263171 /nfs/dbraw/zinc/26/31/71/1068263171.db2.gz COCTZJPHZAHMHK-FDDCHVKYSA-N 0 0 456.558 4.709 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001463045525 1068263222 /nfs/dbraw/zinc/26/32/22/1068263222.db2.gz JPLUVLOXKCDCIC-HNNXBMFYSA-N 0 0 453.516 4.729 20 0 JJADRN CC(C)c1ccc([C@@H](CNS(=O)(=O)CCc2cccs2)NC(=O)OC(C)(C)C)cc1 ZINC001463048208 1068264951 /nfs/dbraw/zinc/26/49/51/1068264951.db2.gz RCWBJNDQVJTLPH-HXUWFJFHSA-N 0 0 452.642 4.599 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)c1 ZINC001463048993 1068265057 /nfs/dbraw/zinc/26/50/57/1068265057.db2.gz NZRWCXYBRGFXQQ-LJAQVGFWSA-N 0 0 453.841 4.925 20 0 JJADRN Cc1cccc2c1CC[C@@H]2NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001463055260 1068268043 /nfs/dbraw/zinc/26/80/43/1068268043.db2.gz JTZVVCMMEMSSRM-HNNXBMFYSA-N 0 0 450.276 4.622 20 0 JJADRN O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC001463055233 1068268077 /nfs/dbraw/zinc/26/80/77/1068268077.db2.gz JFOJZAAELAJVRQ-NRFANRHFSA-N 0 0 453.048 4.596 20 0 JJADRN O=S(=O)(c1ccnn1CC1CCC1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001463055292 1068268085 /nfs/dbraw/zinc/26/80/85/1068268085.db2.gz KYBCLLPDVNFXJT-UHFFFAOYSA-N 0 0 457.518 4.715 20 0 JJADRN CCCCCC[C@](C)(NS(=O)(=O)c1cc(Cl)cc(Br)c1)C(=O)OCC ZINC001463056673 1068268593 /nfs/dbraw/zinc/26/85/93/1068268593.db2.gz VVWFQBGYNAZHME-KRWDZBQOSA-N 0 0 454.814 4.673 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001463055770 1068268683 /nfs/dbraw/zinc/26/86/83/1068268683.db2.gz LYBGTVFVZLCARP-HXUWFJFHSA-N 0 0 451.430 4.524 20 0 JJADRN O=S(=O)(N[C@@H](COc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001463056265 1068268695 /nfs/dbraw/zinc/26/86/95/1068268695.db2.gz URZVPKPUQZPIRO-IBGZPJMESA-N 0 0 450.329 4.687 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1Cl ZINC001463057350 1068269164 /nfs/dbraw/zinc/26/91/64/1068269164.db2.gz PIOCHQKNKJJNDI-QWHCGFSZSA-N 0 0 456.819 4.603 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cs2)cc1OC ZINC001463057441 1068269174 /nfs/dbraw/zinc/26/91/74/1068269174.db2.gz NFXJKQRZGBJFCL-XVTZWQNCSA-N 0 0 452.576 4.747 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cs2)cc1OC ZINC001463057418 1068269414 /nfs/dbraw/zinc/26/94/14/1068269414.db2.gz NFXJKQRZGBJFCL-HOZJOUCCSA-N 0 0 452.576 4.747 20 0 JJADRN CCSc1ccc([C@H](C)NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058897 1068269961 /nfs/dbraw/zinc/26/99/61/1068269961.db2.gz JCZQOBWZKTYIFX-CEXHIMGSSA-N 0 0 452.545 4.741 20 0 JJADRN CC(C)N(CCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463059993 1068270544 /nfs/dbraw/zinc/27/05/44/1068270544.db2.gz MRLNAVMSPYWKMJ-UHFFFAOYSA-N 0 0 458.930 4.673 20 0 JJADRN Cc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@@H]3C3(CNC(=O)OC(C)(C)C)CCC3)C2)cc1 ZINC001463063508 1068271975 /nfs/dbraw/zinc/27/19/75/1068271975.db2.gz MGTDPUUFPJEBCM-FGZHOGPDSA-N 0 0 455.599 4.564 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C)c1 ZINC001463064605 1068272736 /nfs/dbraw/zinc/27/27/36/1068272736.db2.gz TXUHCJPYEPWDNE-HXUWFJFHSA-N 0 0 459.587 4.863 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2nscc2Br)CCC1 ZINC001463064894 1068272790 /nfs/dbraw/zinc/27/27/90/1068272790.db2.gz URDXBZCTDLRDMT-AWEZNQCLSA-N 0 0 458.422 4.595 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001463063979 1068272838 /nfs/dbraw/zinc/27/28/38/1068272838.db2.gz LTDSADKRWYMBHO-BJKOFHAPSA-N 0 0 454.636 4.636 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001463065196 1068273253 /nfs/dbraw/zinc/27/32/53/1068273253.db2.gz IHIXLFWYSUTYFK-TZIWHRDSSA-N 0 0 451.498 4.710 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001463066337 1068273956 /nfs/dbraw/zinc/27/39/56/1068273956.db2.gz OZCAAIRKFVAURJ-CQSZACIVSA-N 0 0 459.033 4.741 20 0 JJADRN C=Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 ZINC001463069318 1068275297 /nfs/dbraw/zinc/27/52/97/1068275297.db2.gz SFJPAGUVXIDGGD-CJFMBICVSA-N 0 0 454.636 4.504 20 0 JJADRN C=Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 ZINC001463069324 1068275386 /nfs/dbraw/zinc/27/53/86/1068275386.db2.gz SFJPAGUVXIDGGD-CPJSRVTESA-N 0 0 454.636 4.504 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001463068765 1068275489 /nfs/dbraw/zinc/27/54/89/1068275489.db2.gz VKLPTLHPGLBHSG-GOSISDBHSA-N 0 0 450.595 4.947 20 0 JJADRN COc1cccc(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1OC1CCCC1 ZINC001463069990 1068276157 /nfs/dbraw/zinc/27/61/57/1068276157.db2.gz GFWTWQFCOYOTPU-UHFFFAOYSA-N 0 0 459.486 4.535 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001463070407 1068276595 /nfs/dbraw/zinc/27/65/95/1068276595.db2.gz WWIJZHXPSLLIAD-SZNDQCEHSA-N 0 0 455.368 4.806 20 0 JJADRN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)c1OC1CCCC1 ZINC001463072992 1068277234 /nfs/dbraw/zinc/27/72/34/1068277234.db2.gz SULVKUZMDQDOKH-UHFFFAOYSA-N 0 0 456.564 4.767 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463072974 1068277368 /nfs/dbraw/zinc/27/73/68/1068277368.db2.gz GSEFNNDSZGSRDI-LPHOPBHVSA-N 0 0 458.407 4.708 20 0 JJADRN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001463074577 1068278621 /nfs/dbraw/zinc/27/86/21/1068278621.db2.gz VKHDGFFPVLRPEH-QGZVFWFLSA-N 0 0 451.919 4.859 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC001463076808 1068279091 /nfs/dbraw/zinc/27/90/91/1068279091.db2.gz PSBKTTXLTNLICS-IBGZPJMESA-N 0 0 453.482 4.923 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC001463076816 1068279107 /nfs/dbraw/zinc/27/91/07/1068279107.db2.gz PSBKTTXLTNLICS-LJQANCHMSA-N 0 0 453.482 4.923 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1OC ZINC001463077746 1068279602 /nfs/dbraw/zinc/27/96/02/1068279602.db2.gz DPJRBTMTTJNDDK-UHFFFAOYSA-N 0 0 456.402 4.501 20 0 JJADRN CCc1ccc(S(=O)(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1CC ZINC001463077826 1068279661 /nfs/dbraw/zinc/27/96/61/1068279661.db2.gz FOXWLMVVRCGMTI-UHFFFAOYSA-N 0 0 455.601 4.839 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)cc1Br ZINC001463078924 1068280046 /nfs/dbraw/zinc/28/00/46/1068280046.db2.gz TVZHTQCZBSHVML-UHFFFAOYSA-N 0 0 454.230 4.571 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CCC(C)(C)[C@@H](c4ccccc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001463079166 1068280213 /nfs/dbraw/zinc/28/02/13/1068280213.db2.gz GHRICGMPRXWYAD-GHTZIAJQSA-N 0 0 452.599 4.678 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Cl)c2ccccc21 ZINC001463080211 1068280696 /nfs/dbraw/zinc/28/06/96/1068280696.db2.gz YUZYNJXUZDJFMI-CQSZACIVSA-N 0 0 452.910 4.652 20 0 JJADRN Cc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)OCO2 ZINC001463083764 1068281084 /nfs/dbraw/zinc/28/10/84/1068281084.db2.gz BOGGXXNHALRGAL-OAQYLSRUSA-N 0 0 451.878 4.723 20 0 JJADRN CCN([C@H](C)Cc1ccc(OC)cc1)S(=O)(=O)c1oc2ccccc2c1Br ZINC001463086805 1068282988 /nfs/dbraw/zinc/28/29/88/1068282988.db2.gz PUFROIOQRFHSKY-CQSZACIVSA-N 0 0 452.370 4.846 20 0 JJADRN CCN([C@@H](C)Cc1ccc(OC)cc1)S(=O)(=O)c1oc2ccccc2c1Br ZINC001463086782 1068283028 /nfs/dbraw/zinc/28/30/28/1068283028.db2.gz PUFROIOQRFHSKY-AWEZNQCLSA-N 0 0 452.370 4.846 20 0 JJADRN O=C(c1cc(F)c(Oc2ccccc2)c(F)c1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001463089832 1068283545 /nfs/dbraw/zinc/28/35/45/1068283545.db2.gz RVPVCZMTNPYAQZ-JOCHJYFZSA-N 0 0 457.498 4.759 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC001463095528 1068284723 /nfs/dbraw/zinc/28/47/23/1068284723.db2.gz WDVCFURXZNMVFB-QGZVFWFLSA-N 0 0 450.757 4.926 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC001463098925 1068285993 /nfs/dbraw/zinc/28/59/93/1068285993.db2.gz UNXYGRZVQJRPAK-UHFFFAOYSA-N 0 0 457.384 4.991 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCSC[C@H]3c3ccccc3)cc2)cc1 ZINC001463101275 1068287487 /nfs/dbraw/zinc/28/74/87/1068287487.db2.gz WUNPREDBWLVFOD-DEOSSOPVSA-N 0 0 452.601 4.791 20 0 JJADRN Cc1ccc([S@@](C)(=O)=NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cc1 ZINC001463101245 1068287498 /nfs/dbraw/zinc/28/74/98/1068287498.db2.gz OXXDGRKAVONVRC-GFJKYASSSA-N 0 0 455.580 4.596 20 0 JJADRN CCc1ccccc1S(=O)(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001463101040 1068287611 /nfs/dbraw/zinc/28/76/11/1068287611.db2.gz NIEMSYTXKDRVDG-UHFFFAOYSA-N 0 0 453.539 4.779 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(C)(C)C)c1ccccc1 ZINC001463102185 1068288076 /nfs/dbraw/zinc/28/80/76/1068288076.db2.gz UBXPMAYGAKDHFP-QHCPKHFHSA-N 0 0 450.604 4.537 20 0 JJADRN COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2C)c1 ZINC001463102718 1068288153 /nfs/dbraw/zinc/28/81/53/1068288153.db2.gz YZHCRVCEUUAUSK-SFHVURJKSA-N 0 0 454.386 4.610 20 0 JJADRN O=S(=O)(NCCCO[C@@H]1CCCc2ccccc21)c1c(Cl)cccc1Br ZINC001463103677 1068288780 /nfs/dbraw/zinc/28/87/80/1068288780.db2.gz BNMRUERRMMVLJP-GOSISDBHSA-N 0 0 458.805 4.865 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463105498 1068289395 /nfs/dbraw/zinc/28/93/95/1068289395.db2.gz SOTYXQGCGRPFCJ-FQEVSTJZSA-N 0 0 453.995 4.730 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001463109568 1068290155 /nfs/dbraw/zinc/29/01/55/1068290155.db2.gz POLHNQWSMVJNOL-IIMAJNMQSA-N 0 0 459.008 4.520 20 0 JJADRN CC[S@@](=O)(=NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)c1cccc(Cl)c1 ZINC001463111232 1068291171 /nfs/dbraw/zinc/29/11/71/1068291171.db2.gz TXSZJFPSICZUJC-PMERELPUSA-N 0 0 454.980 4.692 20 0 JJADRN C[C@@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)c1nc2ccccc2s1 ZINC001463111926 1068291181 /nfs/dbraw/zinc/29/11/81/1068291181.db2.gz SBBJEQHXNRSYAF-WBMJQRKESA-N 0 0 451.411 4.597 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1F ZINC001463115869 1068292117 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Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC001463126205 1068296227 /nfs/dbraw/zinc/29/62/27/1068296227.db2.gz LKBAPQZLDQLSFM-GHTZIAJQSA-N 0 0 450.000 4.980 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC001463130641 1068297306 /nfs/dbraw/zinc/29/73/06/1068297306.db2.gz VWGRJDCLIJQZMQ-DEOSSOPVSA-N 0 0 454.567 4.570 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC001463130644 1068297442 /nfs/dbraw/zinc/29/74/42/1068297442.db2.gz VWGRJDCLIJQZMQ-XMMPIXPASA-N 0 0 454.567 4.570 20 0 JJADRN CCOC(=O)C1([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CCOCC1 ZINC001463132102 1068297825 /nfs/dbraw/zinc/29/78/25/1068297825.db2.gz GVZDGGJOPNSFSN-QGZVFWFLSA-N 0 0 450.510 4.519 20 0 JJADRN CC(C)(C(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1)c1csc(-c2cccs2)n1 ZINC001463133534 1068298472 /nfs/dbraw/zinc/29/84/72/1068298472.db2.gz NVRWKGZAMHEEGI-LBPRGKRZSA-N 0 0 452.527 4.974 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1S(=O)(=O)c1c(C)csc1C ZINC001463135782 1068299030 /nfs/dbraw/zinc/29/90/30/1068299030.db2.gz VWQQFZMJODDHKL-VQTJNVASSA-N 0 0 450.626 4.565 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2c(C)csc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001463135773 1068299078 /nfs/dbraw/zinc/29/90/78/1068299078.db2.gz VWQQFZMJODDHKL-PMACEKPBSA-N 0 0 450.626 4.565 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463135807 1068299197 /nfs/dbraw/zinc/29/91/97/1068299197.db2.gz QEHMASARZNEHJM-CYBMUJFWSA-N 0 0 450.848 4.753 20 0 JJADRN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463137612 1068299500 /nfs/dbraw/zinc/29/95/00/1068299500.db2.gz USEHIMHNWPFKTH-NSHDSACASA-N 0 0 456.255 4.618 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463137276 1068299758 /nfs/dbraw/zinc/29/97/58/1068299758.db2.gz GFFNRUFCQOAWDR-HXUWFJFHSA-N 0 0 452.016 4.828 20 0 JJADRN C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)C1 ZINC001463142377 1068301178 /nfs/dbraw/zinc/30/11/78/1068301178.db2.gz LBSBECCDCKDBDB-LKUPVBHCSA-N 0 0 455.380 4.810 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1cccc2ccc(C)nc21 ZINC001463149559 1068303572 /nfs/dbraw/zinc/30/35/72/1068303572.db2.gz CZWCBNBTQDFAKM-UHFFFAOYSA-N 0 0 456.955 4.848 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N1CCc2cc(Br)c(F)cc2C1 ZINC001463151124 1068304039 /nfs/dbraw/zinc/30/40/39/1068304039.db2.gz WHGAESRJOJBXQJ-UHFFFAOYSA-N 0 0 451.283 4.667 20 0 JJADRN O=C(Nc1c(F)ccc(Br)c1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001463154306 1068305884 /nfs/dbraw/zinc/30/58/84/1068305884.db2.gz AAYSVMAUCDYMLB-UHFFFAOYSA-N 0 0 453.264 4.874 20 0 JJADRN O=S(=O)(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCC2CCCCC2)cc1 ZINC001463153831 1068305943 /nfs/dbraw/zinc/30/59/43/1068305943.db2.gz WZWOEVVAIWUJOC-OAQYLSRUSA-N 0 0 458.407 4.964 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001463159599 1068306501 /nfs/dbraw/zinc/30/65/01/1068306501.db2.gz 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COc1ccccc1[C@@H](NS(=O)(=O)C[C@@H](OC)C1CCCCC1)c1ccccc1Cl ZINC001463171694 1068309185 /nfs/dbraw/zinc/30/91/85/1068309185.db2.gz WUYXAVJHUICILE-PKTZIBPZSA-N 0 0 452.016 4.953 20 0 JJADRN CC(C)(C)OCCS(=O)(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC001463171565 1068309459 /nfs/dbraw/zinc/30/94/59/1068309459.db2.gz XLWVLJSPJAAIDL-NRFANRHFSA-N 0 0 454.430 4.642 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)cc1 ZINC001463174700 1068309634 /nfs/dbraw/zinc/30/96/34/1068309634.db2.gz DWXMXZLFXJDCKR-AZUAARDMSA-N 0 0 452.403 4.865 20 0 JJADRN Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)o1 ZINC001463177849 1068310756 /nfs/dbraw/zinc/31/07/56/1068310756.db2.gz QMAYKECSUSRESS-GFCCVEGCSA-N 0 0 455.399 4.774 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c1C ZINC001463180716 1068311204 /nfs/dbraw/zinc/31/12/04/1068311204.db2.gz IJYGHHNPUCFQHD-FQEVSTJZSA-N 0 0 454.514 4.511 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)cc1 ZINC001463182923 1068312438 /nfs/dbraw/zinc/31/24/38/1068312438.db2.gz OZTVHMBYPCSXKK-UHFFFAOYSA-N 0 0 453.652 4.531 20 0 JJADRN COCCOCCOc1ccc(NC(=O)/C=C(\C)c2ccc(F)cc2)cc1Br ZINC001463182177 1068312492 /nfs/dbraw/zinc/31/24/92/1068312492.db2.gz MEWHIVHYOOIETD-FYWRMAATSA-N 0 0 452.320 4.672 20 0 JJADRN C[C@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)Oc1ccc(F)cc1 ZINC001463183005 1068312510 /nfs/dbraw/zinc/31/25/10/1068312510.db2.gz LGUQJJJJDGDGHQ-SECBINFHSA-N 0 0 457.148 4.641 20 0 JJADRN CC1(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC2(CC1)OCCO2 ZINC001463190749 1068315120 /nfs/dbraw/zinc/31/51/20/1068315120.db2.gz HMFOMCHSQIFEAT-UHFFFAOYSA-N 0 0 454.514 4.811 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1cnn(C)c1 ZINC001463190906 1068315713 /nfs/dbraw/zinc/31/57/13/1068315713.db2.gz JSAQBNNPRGIRIG-XMMPIXPASA-N 0 0 456.656 4.868 20 0 JJADRN CO[C@@H](CS(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1)c1ccc(F)cc1 ZINC001463197581 1068317166 /nfs/dbraw/zinc/31/71/66/1068317166.db2.gz SKGFUGOLIBYPNA-CVDCTZTESA-N 0 0 459.587 4.653 20 0 JJADRN O=C(Nc1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)ccc1Cl)c1cccs1 ZINC001463199678 1068317867 /nfs/dbraw/zinc/31/78/67/1068317867.db2.gz GRLUPWSBOTYMRR-UHFFFAOYSA-N 0 0 455.902 4.754 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001463201242 1068318190 /nfs/dbraw/zinc/31/81/90/1068318190.db2.gz JEIHSMCVRNLOKO-SANMLTNESA-N 0 0 459.615 4.853 20 0 JJADRN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1(CC)CC ZINC001463201960 1068318825 /nfs/dbraw/zinc/31/88/25/1068318825.db2.gz KHYFACZMNHACMN-GJZGRUSLSA-N 0 0 458.340 4.730 20 0 JJADRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)C2)n1 ZINC001463202164 1068318843 /nfs/dbraw/zinc/31/88/43/1068318843.db2.gz RJZIITQWHBZIFF-XJKSGUPXSA-N 0 0 457.328 4.648 20 0 JJADRN CC[C@@H](C(=O)N[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463204753 1068319133 /nfs/dbraw/zinc/31/91/33/1068319133.db2.gz DDPVCPDBPIYOTL-SJORKVTESA-N 0 0 458.274 4.992 20 0 JJADRN CC[C@H](C(=O)N[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001463204749 1068319156 /nfs/dbraw/zinc/31/91/56/1068319156.db2.gz DDPVCPDBPIYOTL-IRXDYDNUSA-N 0 0 458.274 4.992 20 0 JJADRN COC(=O)[C@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC001463205164 1068319557 /nfs/dbraw/zinc/31/95/57/1068319557.db2.gz PUVGWRMUGVAWLD-QGZVFWFLSA-N 0 0 450.240 4.812 20 0 JJADRN CCc1noc([C@H]2CC[C@@H](NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC001463205046 1068319792 /nfs/dbraw/zinc/31/97/92/1068319792.db2.gz YHNFYHLSDZOHJO-DZGCQCFKSA-N 0 0 450.486 4.769 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccccc1 ZINC001463208124 1068320231 /nfs/dbraw/zinc/32/02/31/1068320231.db2.gz CKZRUHQRAVYHPZ-GOSISDBHSA-N 0 0 452.016 4.792 20 0 JJADRN C[C@]12CN(C(=O)c3cccc(CSc4cc(Cl)cc(Cl)c4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001463209013 1068320713 /nfs/dbraw/zinc/32/07/13/1068320713.db2.gz LFRFLNLNURXSJK-HRAATJIYSA-N 0 0 470.443 4.792 20 0 JJADRN C[C@@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)Oc1cccc(Br)c1 ZINC001463211135 1068321159 /nfs/dbraw/zinc/32/11/59/1068321159.db2.gz AAVHPIKQONYFOY-NSHDSACASA-N 0 0 453.185 4.643 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)C[C@@H](Cc2ccccc2)OC)cc1 ZINC001463212209 1068321845 /nfs/dbraw/zinc/32/18/45/1068321845.db2.gz DFRTWLSQCNUWQQ-HYBUGGRVSA-N 0 0 453.604 4.943 20 0 JJADRN COC(=O)CC1(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CCCC1 ZINC001463214536 1068322371 /nfs/dbraw/zinc/32/23/71/1068322371.db2.gz SGNPDDOGNYUTKO-UHFFFAOYSA-N 0 0 454.354 4.606 20 0 JJADRN O=S(=O)(c1c[nH]c2c1cccc2Br)N1CC[C@@H](CSc2ccccc2)C1 ZINC001463214178 1068322482 /nfs/dbraw/zinc/32/24/82/1068322482.db2.gz LMPQTIJAFVOSIL-CQSZACIVSA-N 0 0 451.411 4.733 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1C ZINC001463218108 1068323328 /nfs/dbraw/zinc/32/33/28/1068323328.db2.gz ZKZGVNLJJGVULO-IBGZPJMESA-N 0 0 456.649 4.687 20 0 JJADRN O=S(=O)(CCCC1CCOCC1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001463220254 1068324141 /nfs/dbraw/zinc/32/41/41/1068324141.db2.gz BCIXADPAFQCVER-UHFFFAOYSA-N 0 0 458.462 4.777 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001463224093 1068325670 /nfs/dbraw/zinc/32/56/70/1068325670.db2.gz QRGBYXIXAWCMNX-SANMLTNESA-N 0 0 456.567 4.769 20 0 JJADRN O=C(Oc1c(Br)ccc2ccccc21)c1cncc(I)c1 ZINC001463224176 1068325694 /nfs/dbraw/zinc/32/56/94/1068325694.db2.gz RHRPVPVRJAYTIF-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001463224090 1068325795 /nfs/dbraw/zinc/32/57/95/1068325795.db2.gz QRGBYXIXAWCMNX-AREMUKBSSA-N 0 0 456.567 4.769 20 0 JJADRN CC1(C)CCC[C@H](CS(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)O1 ZINC001463223754 1068325843 /nfs/dbraw/zinc/32/58/43/1068325843.db2.gz OJBWESJXUCTABS-LJQANCHMSA-N 0 0 458.462 4.918 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001463224335 1068326412 /nfs/dbraw/zinc/32/64/12/1068326412.db2.gz PGAHMXDLQQXBQX-UHFFFAOYSA-N 0 0 453.358 4.604 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1C(C)C ZINC001463225283 1068326424 /nfs/dbraw/zinc/32/64/24/1068326424.db2.gz TVBKJKFDNPBRCI-MRXNPFEDSA-N 0 0 459.568 4.697 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463228159 1068327838 /nfs/dbraw/zinc/32/78/38/1068327838.db2.gz ACPKFDMEPSUQQH-YUNKPMOVSA-N 0 0 452.345 4.565 20 0 JJADRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463229910 1068328297 /nfs/dbraw/zinc/32/82/97/1068328297.db2.gz GZWCHBJUFFJKMA-RPWUZVMVSA-N 0 0 454.636 4.702 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001463229335 1068328536 /nfs/dbraw/zinc/32/85/36/1068328536.db2.gz ZHMOBSXROCWKCP-HSZRJFAPSA-N 0 0 453.995 4.934 20 0 JJADRN O=C(Nc1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1)[C@]1(F)CCS(=O)(=O)C1 ZINC001463230257 1068329066 /nfs/dbraw/zinc/32/90/66/1068329066.db2.gz PWSGWPKQPVLGOC-FQEVSTJZSA-N 0 0 450.944 4.596 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCCc3cn4cccc(C)c4n3)cc2)cc1 ZINC001463232310 1068329292 /nfs/dbraw/zinc/32/92/92/1068329292.db2.gz XAGUKTNLTCJLIR-UHFFFAOYSA-N 0 0 453.589 4.678 20 0 JJADRN COc1cccc(C(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c2cccc(OC)c2)c1 ZINC001463232270 1068329567 /nfs/dbraw/zinc/32/95/67/1068329567.db2.gz RHPOMSIQQCFOAJ-UHFFFAOYSA-N 0 0 453.894 4.703 20 0 JJADRN CN(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)CC1 ZINC001463233433 1068329780 /nfs/dbraw/zinc/32/97/80/1068329780.db2.gz BSSLXRFQUFOJOS-UHFFFAOYSA-N 0 0 454.567 4.694 20 0 JJADRN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCOC[C@@H]1CC1CCOCC1 ZINC001463234410 1068329801 /nfs/dbraw/zinc/32/98/01/1068329801.db2.gz RQTLTFQGRGUJPK-KRWDZBQOSA-N 0 0 451.350 4.838 20 0 JJADRN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001463237614 1068330843 /nfs/dbraw/zinc/33/08/43/1068330843.db2.gz XWDONUZZBRYYHM-UHFFFAOYSA-N 0 0 456.820 4.519 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)c2ccccc21 ZINC001463237923 1068331267 /nfs/dbraw/zinc/33/12/67/1068331267.db2.gz ZGSGAEVTPSCKHC-OAHLLOKOSA-N 0 0 455.352 4.947 20 0 JJADRN Cn1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001463239111 1068331529 /nfs/dbraw/zinc/33/15/29/1068331529.db2.gz PQHCTHCRUFNRNG-OAHLLOKOSA-N 0 0 459.877 4.651 20 0 JJADRN Cn1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001463239105 1068331541 /nfs/dbraw/zinc/33/15/41/1068331541.db2.gz PQHCTHCRUFNRNG-HNNXBMFYSA-N 0 0 459.877 4.651 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cc(C)ccc2Br)c(OC2CCCC2)c1 ZINC001463241327 1068332285 /nfs/dbraw/zinc/33/22/85/1068332285.db2.gz UGIXYVHJJVIJDU-UHFFFAOYSA-N 0 0 454.386 4.566 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)cc1 ZINC001463240552 1068332381 /nfs/dbraw/zinc/33/23/81/1068332381.db2.gz PSWGAHJMBYEQPE-LJQANCHMSA-N 0 0 450.560 4.606 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001463242773 1068332962 /nfs/dbraw/zinc/33/29/62/1068332962.db2.gz NYLNUMFOWCQURQ-AKFKNWHVSA-N 0 0 452.595 4.516 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463246378 1068333161 /nfs/dbraw/zinc/33/31/61/1068333161.db2.gz BQLDAJIULHXIEO-VMGRFDJRSA-N 0 0 454.352 4.595 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCC2)c1 ZINC001463245275 1068333371 /nfs/dbraw/zinc/33/33/71/1068333371.db2.gz RLHRRNWDOITNBR-UHFFFAOYSA-N 0 0 458.971 4.729 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)Oc1cccc(F)c1 ZINC001463247596 1068333646 /nfs/dbraw/zinc/33/36/46/1068333646.db2.gz BCLIEQHUFBUHEN-LBPRGKRZSA-N 0 0 454.720 4.517 20 0 JJADRN C/C(=C/C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001463247126 1068333832 /nfs/dbraw/zinc/33/38/32/1068333832.db2.gz WRNWGDVHDCQDPC-UVTDQMKNSA-N 0 0 450.461 4.736 20 0 JJADRN C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001463248043 1068334378 /nfs/dbraw/zinc/33/43/78/1068334378.db2.gz CODLICNVVPJLQN-LBPRGKRZSA-N 0 0 457.440 4.886 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)nn1-c1cccc(Cl)c1 ZINC001463248141 1068334425 /nfs/dbraw/zinc/33/44/25/1068334425.db2.gz BGAVVMPHDDUJGJ-UHFFFAOYSA-N 0 0 453.329 4.950 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)C2)c1 ZINC001463252745 1068335261 /nfs/dbraw/zinc/33/52/61/1068335261.db2.gz JEULQDLPMTUSPO-OAQYLSRUSA-N 0 0 453.539 4.587 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252669 1068335614 /nfs/dbraw/zinc/33/56/14/1068335614.db2.gz PMCIOHKQRZKHSA-BDAKNGLRSA-N 0 0 452.695 4.889 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)cc21 ZINC001463253689 1068336036 /nfs/dbraw/zinc/33/60/36/1068336036.db2.gz SOLQEBRQDWUOLF-RYUDHWBXSA-N 0 0 453.324 4.588 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC001463253687 1068336139 /nfs/dbraw/zinc/33/61/39/1068336139.db2.gz SOLQEBRQDWUOLF-NWDGAFQWSA-N 0 0 453.324 4.588 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1)S(=O)(=O)c1ccns1 ZINC001463258562 1068336788 /nfs/dbraw/zinc/33/67/88/1068336788.db2.gz GIUQVOXQJRPIRI-KRWDZBQOSA-N 0 0 457.802 4.969 20 0 JJADRN CC[C@H](C(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCOC2)c1cccc(C(F)(F)F)c1 ZINC001463259399 1068337411 /nfs/dbraw/zinc/33/74/11/1068337411.db2.gz QWEPCUZVVPLGPH-HNNXBMFYSA-N 0 0 453.461 4.520 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)c(F)cc1Cl ZINC001463264674 1068339316 /nfs/dbraw/zinc/33/93/16/1068339316.db2.gz YPSFOPDVDANXGV-NVXWUHKLSA-N 0 0 453.963 4.860 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001463269586 1068340029 /nfs/dbraw/zinc/34/00/29/1068340029.db2.gz FOVDIMLEIZRQTN-LBPRGKRZSA-N 0 0 453.185 4.892 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC001463267646 1068340164 /nfs/dbraw/zinc/34/01/64/1068340164.db2.gz OVHUBWAXSHDRIA-LLVKDONJSA-N 0 0 459.818 4.930 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1F)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001463273114 1068340856 /nfs/dbraw/zinc/34/08/56/1068340856.db2.gz CUWJERKPRUASGB-UHFFFAOYSA-N 0 0 450.334 4.783 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N[C@@H](CC(=O)OC)c1ccc(C(F)(F)F)cc1 ZINC001463276859 1068341334 /nfs/dbraw/zinc/34/13/34/1068341334.db2.gz AWFNEFUJKVQLLS-IBGZPJMESA-N 0 0 453.457 4.927 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)s1 ZINC001463281562 1068343574 /nfs/dbraw/zinc/34/35/74/1068343574.db2.gz FGTVPMIGDRLMOP-SNVBAGLBSA-N 0 0 456.998 4.660 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 ZINC001546137769 1068344692 /nfs/dbraw/zinc/34/46/92/1068344692.db2.gz DHHNCZLWBMUVDA-BTYIYWSLSA-N 0 0 458.484 4.886 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@@H](C)c2csc3ccccc32)C1 ZINC001463287121 1068345220 /nfs/dbraw/zinc/34/52/20/1068345220.db2.gz LXHFBHASOIIQEK-KMEZTADASA-N 0 0 452.576 4.895 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3csc(CCc4ccccc4)n3)c2)n1 ZINC001463287940 1068345267 /nfs/dbraw/zinc/34/52/67/1068345267.db2.gz RRQRRVNOLUVTRZ-UHFFFAOYSA-N 0 0 453.589 4.679 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC001463289351 1068345680 /nfs/dbraw/zinc/34/56/80/1068345680.db2.gz VTBOTKRLMYUQKO-FQEVSTJZSA-N 0 0 456.377 4.948 20 0 JJADRN COC(=O)C(C)(C)[C@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)c1ccccc1 ZINC001463290657 1068346481 /nfs/dbraw/zinc/34/64/81/1068346481.db2.gz SLLLXULKBGDSCS-HSZRJFAPSA-N 0 0 453.560 4.581 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 ZINC001463293523 1068347019 /nfs/dbraw/zinc/34/70/19/1068347019.db2.gz LJHXFTUOLDTIAT-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001463293551 1068347666 /nfs/dbraw/zinc/34/76/66/1068347666.db2.gz LXSZBIYYYZCNJC-FQEVSTJZSA-N 0 0 452.320 4.936 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1ccccc1SC(F)(F)F ZINC001463298431 1068349290 /nfs/dbraw/zinc/34/92/90/1068349290.db2.gz KJDKDSSILZLKTH-UHFFFAOYSA-N 0 0 459.497 4.755 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 ZINC001463301466 1068349872 /nfs/dbraw/zinc/34/98/72/1068349872.db2.gz RMRLCFJMNQAZGP-FQEVSTJZSA-N 0 0 450.329 4.665 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001463305130 1068350382 /nfs/dbraw/zinc/35/03/82/1068350382.db2.gz DFTSJWCQRVEKDV-GFCCVEGCSA-N 0 0 458.930 4.721 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC001463305776 1068350914 /nfs/dbraw/zinc/35/09/14/1068350914.db2.gz DXJQBLKLCBUMPW-OAHLLOKOSA-N 0 0 451.720 4.692 20 0 JJADRN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463311515 1068352075 /nfs/dbraw/zinc/35/20/75/1068352075.db2.gz YUFSADNNMSJHND-UHFFFAOYSA-N 0 0 456.951 4.966 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2OCCCC(C)C)cc1Cl ZINC001463312067 1068352513 /nfs/dbraw/zinc/35/25/13/1068352513.db2.gz XVMMIMLBSDRZHK-UHFFFAOYSA-N 0 0 453.004 4.900 20 0 JJADRN CC(C)(C)c1coc(CNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC001463313295 1068352752 /nfs/dbraw/zinc/35/27/52/1068352752.db2.gz SMXHHKOLZYKJBE-UHFFFAOYSA-N 0 0 453.352 4.529 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Br)cc2OC(F)F)nnn1Cc1ccccc1 ZINC001463314629 1068353334 /nfs/dbraw/zinc/35/33/34/1068353334.db2.gz AEKXHEATRPMFQU-UHFFFAOYSA-N 0 0 451.271 4.505 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccc(F)cc1F ZINC001463320110 1068354876 /nfs/dbraw/zinc/35/48/76/1068354876.db2.gz IDSUTNIOWCKRGI-OAHLLOKOSA-N 0 0 452.292 4.695 20 0 JJADRN CC(C)C[C@H]1CCCN(S(=O)(=O)c2c(Br)cc(F)cc2Br)C1 ZINC001463320537 1068355015 /nfs/dbraw/zinc/35/50/15/1068355015.db2.gz MHKIWMWFEVBZQA-LLVKDONJSA-N 0 0 457.203 4.798 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1c(F)c(F)cc(F)c1F ZINC001463320267 1068355059 /nfs/dbraw/zinc/35/50/59/1068355059.db2.gz ARRUJJIVNBSOMQ-UHFFFAOYSA-N 0 0 452.448 4.903 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC001463320489 1068355133 /nfs/dbraw/zinc/35/51/33/1068355133.db2.gz NFFWNMQXODQTJN-UHFFFAOYSA-N 0 0 452.938 4.687 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(=O)n(Cc4cccc(Cl)c4)c3)c2)cc1 ZINC001463322707 1068355876 /nfs/dbraw/zinc/35/58/76/1068355876.db2.gz OMQXOGDSHGPHQH-UHFFFAOYSA-N 0 0 458.949 4.930 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NC(CCc1ccccc1)CCc1ccccc1 ZINC001463321787 1068355953 /nfs/dbraw/zinc/35/59/53/1068355953.db2.gz OEMLHKRBVWLVFL-FGZHOGPDSA-N 0 0 455.542 4.650 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001463323897 1068356448 /nfs/dbraw/zinc/35/64/48/1068356448.db2.gz GHGQKHUUTNWXLZ-IRXDYDNUSA-N 0 0 458.580 4.900 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001463327247 1068357043 /nfs/dbraw/zinc/35/70/43/1068357043.db2.gz WUHMXADSEJPALV-JOCHJYFZSA-N 0 0 459.502 4.765 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001463324647 1068357061 /nfs/dbraw/zinc/35/70/61/1068357061.db2.gz NLZANOZMHWUTMD-INIZCTEOSA-N 0 0 451.411 4.872 20 0 JJADRN CN(C)c1ccc(CCC(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001463328601 1068358087 /nfs/dbraw/zinc/35/80/87/1068358087.db2.gz OOCIFBSGSIUCDX-UHFFFAOYSA-N 0 0 451.611 4.732 20 0 JJADRN CC(C)(C)[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)c1ccc(F)cc1F ZINC001463331882 1068358857 /nfs/dbraw/zinc/35/88/57/1068358857.db2.gz MIMRJHSQDVUIPS-FQEVSTJZSA-N 0 0 456.942 4.959 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)Cc3c(C)cc(C)c(Br)c3C)oc2c1 ZINC001463334428 1068359644 /nfs/dbraw/zinc/35/96/44/1068359644.db2.gz IUKJFKAGEYBMQD-UHFFFAOYSA-N 0 0 458.352 4.809 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(c3cc(F)cc(C(F)(F)F)c3)CC1)C2 ZINC001463333417 1068359766 /nfs/dbraw/zinc/35/97/66/1068359766.db2.gz JGZZPKNJSHHKHO-KKXDTOCCSA-N 0 0 456.480 4.780 20 0 JJADRN CC1(C)CCC[C@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)C1 ZINC001463335064 1068360369 /nfs/dbraw/zinc/36/03/69/1068360369.db2.gz MIWWYRHOIKDLAG-QHCPKHFHSA-N 0 0 454.636 4.853 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(CCc2cccc(F)c2)C2CCCC2)c2ccccc12 ZINC001463335176 1068360556 /nfs/dbraw/zinc/36/05/56/1068360556.db2.gz QBJZLDPNLMNUNG-UHFFFAOYSA-N 0 0 455.551 4.942 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)nc1C ZINC001463337764 1068361181 /nfs/dbraw/zinc/36/11/81/1068361181.db2.gz WFVIPMYPXICVPZ-UHFFFAOYSA-N 0 0 450.278 4.611 20 0 JJADRN CN1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)c2cc(Br)ccc21 ZINC001463340307 1068362318 /nfs/dbraw/zinc/36/23/18/1068362318.db2.gz DUBAHAGBGDRGFI-MRXNPFEDSA-N 0 0 450.174 4.724 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC001463342134 1068362928 /nfs/dbraw/zinc/36/29/28/1068362928.db2.gz HCEUVYUFHJELOI-UHFFFAOYSA-N 0 0 451.169 4.512 20 0 JJADRN O=S(=O)(c1ccc(OCc2ccccc2)cc1)N1CCC(OCc2ccccc2F)CC1 ZINC001463342808 1068363646 /nfs/dbraw/zinc/36/36/46/1068363646.db2.gz OFQCVKHQUGJCMV-UHFFFAOYSA-N 0 0 455.551 4.775 20 0 JJADRN O=S(=O)(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC001463343569 1068363858 /nfs/dbraw/zinc/36/38/58/1068363858.db2.gz BXHUELKLQLFBAV-APWZRJJASA-N 0 0 453.461 4.645 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)cc(F)c1F ZINC001463348587 1068366264 /nfs/dbraw/zinc/36/62/64/1068366264.db2.gz GJISOPODNHBTOM-UHFFFAOYSA-N 0 0 451.535 4.797 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC001463350024 1068367019 /nfs/dbraw/zinc/36/70/19/1068367019.db2.gz TWMRLFHDGWBQFE-CYBMUJFWSA-N 0 0 456.377 4.730 20 0 JJADRN O=S(=O)(C[C@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001463354140 1068368554 /nfs/dbraw/zinc/36/85/54/1068368554.db2.gz AFQXHTIBGWLMFJ-PBHICJAKSA-N 0 0 457.967 4.726 20 0 JJADRN C[C@]1(CS(=O)(=O)NCC2(c3cccc(Br)c3)CCCC2)CC1(Cl)Cl ZINC001463355802 1068369616 /nfs/dbraw/zinc/36/96/16/1068369616.db2.gz DMJCHJWUILBVBM-OAHLLOKOSA-N 0 0 455.245 4.764 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CCc1nccc(C(F)(F)F)n1 ZINC001463358378 1068370142 /nfs/dbraw/zinc/37/01/42/1068370142.db2.gz IEIVNQUSORFVCD-UHFFFAOYSA-N 0 0 458.362 4.792 20 0 JJADRN CSc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc1Cl ZINC001463359071 1068370348 /nfs/dbraw/zinc/37/03/48/1068370348.db2.gz NOFZWNBGYNCXDH-JTQLQIEISA-N 0 0 452.798 4.873 20 0 JJADRN CSc1ccc(S(=O)(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1Cl ZINC001463359085 1068370651 /nfs/dbraw/zinc/37/06/51/1068370651.db2.gz NOFZWNBGYNCXDH-SNVBAGLBSA-N 0 0 452.798 4.873 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccccc2-c2ccno2)cc1OC ZINC001463359985 1068370751 /nfs/dbraw/zinc/37/07/51/1068370751.db2.gz VRFVBLCMQAHVDY-UHFFFAOYSA-N 0 0 456.564 4.882 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001463359486 1068370779 /nfs/dbraw/zinc/37/07/79/1068370779.db2.gz OYOLOTNXBUOVSI-OAQYLSRUSA-N 0 0 456.562 4.509 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(C)c1-c1ccccc1)CC2 ZINC001463360220 1068371275 /nfs/dbraw/zinc/37/12/75/1068371275.db2.gz QLLYFZUFSQYFHF-JOCHJYFZSA-N 0 0 452.599 4.585 20 0 JJADRN O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N(CCCO)Cc1cccc(Cl)c1 ZINC001463364044 1068372366 /nfs/dbraw/zinc/37/23/66/1068372366.db2.gz VSZKQTKZCQMDSI-UHFFFAOYSA-N 0 0 457.404 4.690 20 0 JJADRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001463364286 1068372913 /nfs/dbraw/zinc/37/29/13/1068372913.db2.gz ZOYGXSNOKFJZCR-LAUBAEHRSA-N 0 0 455.601 4.611 20 0 JJADRN CCC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCC1 ZINC001546138426 1068372926 /nfs/dbraw/zinc/37/29/26/1068372926.db2.gz ADGJMFJDAQTANS-UHFFFAOYSA-N 0 0 464.458 4.970 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)n2)cc1S(=O)(=O)NC1CCCC1 ZINC001463364980 1068373100 /nfs/dbraw/zinc/37/31/00/1068373100.db2.gz ADRPBFBHXXXPTR-UHFFFAOYSA-N 0 0 451.548 4.656 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccccc4)n3)cc2)C1 ZINC001463365307 1068373586 /nfs/dbraw/zinc/37/35/86/1068373586.db2.gz CDONMGIANPFJIN-SFHVURJKSA-N 0 0 451.548 4.547 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1cccs1)Cc1ccncc1 ZINC001463367366 1068374171 /nfs/dbraw/zinc/37/41/71/1068374171.db2.gz REMFKFNYPSPPKV-UHFFFAOYSA-N 0 0 453.365 4.934 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N(C)Cc1ccn(C)n1 ZINC001463368848 1068374732 /nfs/dbraw/zinc/37/47/32/1068374732.db2.gz WGQDZZMKMJUWRQ-UZKOGDIHSA-N 0 0 457.640 4.788 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@]34CCC[C@H]3CN(C(=O)OC(C)(C)C)C4)c2)cs1 ZINC001463375877 1068376629 /nfs/dbraw/zinc/37/66/29/1068376629.db2.gz QUMWNAAQJHFIDK-UUOWRZLLSA-N 0 0 457.596 4.550 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463379401 1068377448 /nfs/dbraw/zinc/37/74/48/1068377448.db2.gz FZUHHGYGSDYSJS-UHFFFAOYSA-N 0 0 458.868 4.909 20 0 JJADRN CN(C)[C@@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC001463380110 1068377960 /nfs/dbraw/zinc/37/79/60/1068377960.db2.gz KHZPIQXCLXICSF-OAHLLOKOSA-N 0 0 452.329 4.918 20 0 JJADRN COC(=O)c1cccc(CS(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC001463381287 1068378027 /nfs/dbraw/zinc/37/80/27/1068378027.db2.gz HQJLSGLORVQCHL-UHFFFAOYSA-N 0 0 455.498 4.771 20 0 JJADRN CN(C)c1cc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)nc2ccccc21 ZINC001463380214 1068378100 /nfs/dbraw/zinc/37/81/00/1068378100.db2.gz LMWWMNJXKDONOW-UHFFFAOYSA-N 0 0 454.905 4.890 20 0 JJADRN COC(=O)C1(CS(=O)(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CCCC1 ZINC001463383499 1068379138 /nfs/dbraw/zinc/37/91/38/1068379138.db2.gz XRRPLFBMYHRCGK-IBGZPJMESA-N 0 0 456.391 4.736 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001463385993 1068380059 /nfs/dbraw/zinc/38/00/59/1068380059.db2.gz CCSOXFNBYNMVSI-CXAGYDPISA-N 0 0 450.354 4.976 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Oc2ccccc2-c2nccs2)cc1)c1ccc(F)cc1 ZINC001463386578 1068380380 /nfs/dbraw/zinc/38/03/80/1068380380.db2.gz FDFCIQUAYOJRCE-UHFFFAOYSA-N 0 0 454.504 4.969 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC001463387652 1068381010 /nfs/dbraw/zinc/38/10/10/1068381010.db2.gz IZFQRXGFHYNTKG-GFCCVEGCSA-N 0 0 458.397 4.763 20 0 JJADRN O=S(=O)(c1cscc1Br)N1CCCCc2c(Br)cccc21 ZINC001463388805 1068381242 /nfs/dbraw/zinc/38/12/42/1068381242.db2.gz LBDNEWIIXZPPCA-UHFFFAOYSA-N 0 0 451.205 4.805 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463395011 1068383031 /nfs/dbraw/zinc/38/30/31/1068383031.db2.gz CNHCRBBOLZGKCM-WMZOPIPTSA-N 0 0 451.405 4.534 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC001463396144 1068383374 /nfs/dbraw/zinc/38/33/74/1068383374.db2.gz NHGLOALCVGCTBI-QPPBQGQZSA-N 0 0 453.560 4.632 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC001463396154 1068383413 /nfs/dbraw/zinc/38/34/13/1068383413.db2.gz NHGLOALCVGCTBI-XUZZJYLKSA-N 0 0 453.560 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)C2(c3c(F)cccc3F)CCC2)n1 ZINC001463398143 1068383801 /nfs/dbraw/zinc/38/38/01/1068383801.db2.gz WHZJCQCSGGJVJM-QGZVFWFLSA-N 0 0 458.509 4.887 20 0 JJADRN CC(C)Oc1cc(CN(C2CC2)S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)ccn1 ZINC001463398945 1068384479 /nfs/dbraw/zinc/38/44/79/1068384479.db2.gz UKLDBOOIONMCOH-UHFFFAOYSA-N 0 0 457.527 4.549 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC001463401774 1068385307 /nfs/dbraw/zinc/38/53/07/1068385307.db2.gz ZWTQOIIPNOAHQG-JTQLQIEISA-N 0 0 451.155 4.732 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405112 1068386098 /nfs/dbraw/zinc/38/60/98/1068386098.db2.gz ADSOWZOAVZKRMQ-ZUZCIYMTSA-N 0 0 453.185 4.810 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ncccc1Br ZINC001463406232 1068386376 /nfs/dbraw/zinc/38/63/76/1068386376.db2.gz DZQMIPBIZNTZDI-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1OC ZINC001463410033 1068387626 /nfs/dbraw/zinc/38/76/26/1068387626.db2.gz ILBSWNPJFKDMSE-KBXCAEBGSA-N 0 0 456.967 4.661 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)ccn2)C1 ZINC001463410118 1068387649 /nfs/dbraw/zinc/38/76/49/1068387649.db2.gz FCYYSMUEHMYOPM-FNZWTVRRSA-N 0 0 456.631 4.714 20 0 JJADRN O=C1c2ccc(S(=O)(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)cc2CC1(Cl)Cl ZINC001463412441 1068389168 /nfs/dbraw/zinc/38/91/68/1068389168.db2.gz SXTPOBTXPMTOGW-KRWDZBQOSA-N 0 0 454.350 4.653 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463412258 1068389186 /nfs/dbraw/zinc/38/91/86/1068389186.db2.gz OXJBMJKHFBALJL-NYHFZMIOSA-N 0 0 453.988 4.582 20 0 JJADRN CSc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC001463414842 1068390343 /nfs/dbraw/zinc/39/03/43/1068390343.db2.gz VZUQWAPKYDNASY-NSHDSACASA-N 0 0 451.828 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)COc2cccc3c2OC(C)(C)C3)C1 ZINC001463415024 1068390716 /nfs/dbraw/zinc/39/07/16/1068390716.db2.gz ZPCDODQXDUEILG-AREMUKBSSA-N 0 0 458.599 4.561 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(F)c2Br)n1C ZINC001463419482 1068391581 /nfs/dbraw/zinc/39/15/81/1068391581.db2.gz BWWLYQYIGJPVAN-HNNXBMFYSA-N 0 0 457.727 4.734 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001463420477 1068392211 /nfs/dbraw/zinc/39/22/11/1068392211.db2.gz BJNLMSNSXUNTDP-OALUTQOASA-N 0 0 450.457 4.659 20 0 JJADRN Cn1cc(-c2csc(NC(=O)C(F)(F)c3ccc(F)cc3)c2C(=O)OC(C)(C)C)cn1 ZINC001463421078 1068392329 /nfs/dbraw/zinc/39/23/29/1068392329.db2.gz DMJZKTQKBBZTEH-UHFFFAOYSA-N 0 0 451.470 4.974 20 0 JJADRN O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1 ZINC001463424485 1068392486 /nfs/dbraw/zinc/39/24/86/1068392486.db2.gz BGPPLBCFWFNYKN-RQZCQDPDSA-N 0 0 459.815 4.759 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546138936 1068392591 /nfs/dbraw/zinc/39/25/91/1068392591.db2.gz SEEMHYMYXLGBEH-NQIIRXRSSA-N 0 0 468.646 4.968 20 0 JJADRN Cn1cc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cn3)c2C(=O)OC(C)(C)C)cn1 ZINC001463428079 1068393735 /nfs/dbraw/zinc/39/37/35/1068393735.db2.gz ZXAKTNWEPLDKSJ-UHFFFAOYSA-N 0 0 452.458 4.770 20 0 JJADRN CN([C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001463428757 1068394135 /nfs/dbraw/zinc/39/41/35/1068394135.db2.gz DLLMBJQKGRWXRL-OALUTQOASA-N 0 0 451.466 4.769 20 0 JJADRN O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001463428867 1068394396 /nfs/dbraw/zinc/39/43/96/1068394396.db2.gz MRXSMSFIMKRDCH-QEEHTWDDSA-N 0 0 463.949 4.582 20 0 JJADRN Cc1c(Br)cccc1S(=O)(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001463429847 1068394838 /nfs/dbraw/zinc/39/48/38/1068394838.db2.gz CMHLYXQNKZXFTN-UHFFFAOYSA-N 0 0 453.185 4.559 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC001463433932 1068396021 /nfs/dbraw/zinc/39/60/21/1068396021.db2.gz KTLLXDORDAKNEL-JTQLQIEISA-N 0 0 453.185 4.674 20 0 JJADRN CN1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463434886 1068396373 /nfs/dbraw/zinc/39/63/73/1068396373.db2.gz QOTRURXYNZDZEG-KZULUSFZSA-N 0 0 451.778 4.757 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)cc12 ZINC001463436119 1068396677 /nfs/dbraw/zinc/39/66/77/1068396677.db2.gz NNQCKNAKNHWRCX-LPHOPBHVSA-N 0 0 453.486 4.761 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC001463435463 1068396758 /nfs/dbraw/zinc/39/67/58/1068396758.db2.gz MUBNGGGEYVJKMI-AWEZNQCLSA-N 0 0 452.407 4.765 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)Oc2c(C=O)cc(Cl)c3ccccc32)c(F)cc1Cl ZINC001463437450 1068397285 /nfs/dbraw/zinc/39/72/85/1068397285.db2.gz SGLNUANYKBRWHO-UHFFFAOYSA-N 0 0 457.262 4.653 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1Br ZINC001463437868 1068397574 /nfs/dbraw/zinc/39/75/74/1068397574.db2.gz OIQHDEAMTPEEDK-FQEVSTJZSA-N 0 0 451.386 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 ZINC001463438370 1068397716 /nfs/dbraw/zinc/39/77/16/1068397716.db2.gz LMVBHYGQIXPGIG-AWEZNQCLSA-N 0 0 451.539 4.855 20 0 JJADRN O=C(C[C@@H]1CCCN1S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001463438884 1068397735 /nfs/dbraw/zinc/39/77/35/1068397735.db2.gz VYUAHYNZRYTUGJ-FQEVSTJZSA-N 0 0 457.489 4.844 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1cc(Cl)ccc1OC(F)F ZINC001463439551 1068398132 /nfs/dbraw/zinc/39/81/32/1068398132.db2.gz WZGCDXWPOSPORT-MRVPVSSYSA-N 0 0 458.683 4.883 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)c2=O)n1 ZINC001463441023 1068398180 /nfs/dbraw/zinc/39/81/80/1068398180.db2.gz WWUNDHZTVDIMIU-HSZRJFAPSA-N 0 0 453.542 4.655 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)c(Br)c1 ZINC001463440543 1068398205 /nfs/dbraw/zinc/39/82/05/1068398205.db2.gz YOSBUJNNMNZHOU-SNVBAGLBSA-N 0 0 453.185 4.674 20 0 JJADRN Cn1cncc1C1CCN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001463439988 1068398329 /nfs/dbraw/zinc/39/83/29/1068398329.db2.gz WUIROHIAOGDQCX-QFIPXVFZSA-N 0 0 454.368 4.709 20 0 JJADRN CC(C)c1ncc(Cl)c(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)n1 ZINC001463443058 1068398607 /nfs/dbraw/zinc/39/86/07/1068398607.db2.gz DPPOLOTVOYUTJZ-UHFFFAOYSA-N 0 0 452.780 4.837 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463444587 1068399150 /nfs/dbraw/zinc/39/91/50/1068399150.db2.gz LCSUVWADEMPKGG-UHFFFAOYSA-N 0 0 459.340 4.756 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)C(F)(F)c1cc(F)cc(F)c1)CC2 ZINC001463450468 1068400912 /nfs/dbraw/zinc/40/09/12/1068400912.db2.gz JECCHIFLLKSJFF-OAHLLOKOSA-N 0 0 458.496 4.990 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC4(CCC[C@H]4CNC(=O)OC(C)(C)C)CC3)co2)ccn1 ZINC001463449777 1068400921 /nfs/dbraw/zinc/40/09/21/1068400921.db2.gz FGACBAAZGSGSPN-IBGZPJMESA-N 0 0 454.571 4.592 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)Oc1cc(Br)ccc1F ZINC001463449951 1068400965 /nfs/dbraw/zinc/40/09/65/1068400965.db2.gz ITMHUGYTTFEMFZ-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)co2)ccn1 ZINC001463449784 1068401021 /nfs/dbraw/zinc/40/10/21/1068401021.db2.gz FGACBAAZGSGSPN-LJQANCHMSA-N 0 0 454.571 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC001463453360 1068402868 /nfs/dbraw/zinc/40/28/68/1068402868.db2.gz MRVPRHCUSKZJCR-UHFFFAOYSA-N 0 0 451.489 4.881 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1 ZINC001463452685 1068402975 /nfs/dbraw/zinc/40/29/75/1068402975.db2.gz QGVOMQPGVDUSPS-HOCLYGCPSA-N 0 0 459.564 4.536 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N2CCO[C@@H](C(C)(C)C)CC2)s1 ZINC001463454351 1068403468 /nfs/dbraw/zinc/40/34/68/1068403468.db2.gz NLVLNGBYIMAPIQ-QGZVFWFLSA-N 0 0 453.402 4.858 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(Br)c(Cl)c1F)N1C(=O)c2ccccc2C1=O ZINC001463456205 1068404952 /nfs/dbraw/zinc/40/49/52/1068404952.db2.gz YOTVVZNKXYZBNL-MRXNPFEDSA-N 0 0 453.695 4.501 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)ccc1Cl ZINC001463456125 1068404971 /nfs/dbraw/zinc/40/49/71/1068404971.db2.gz MLYZWESXHYZERM-INIZCTEOSA-N 0 0 459.951 4.745 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)Oc1cc(Br)ccc1F ZINC001463455618 1068405027 /nfs/dbraw/zinc/40/50/27/1068405027.db2.gz TTZNQAVBTCHBRE-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC[C@@H](C)c2ccccc21 ZINC001463458064 1068406093 /nfs/dbraw/zinc/40/60/93/1068406093.db2.gz ZNIDZPLYHIJBEK-PUAOIOHZSA-N 0 0 452.938 4.835 20 0 JJADRN O=C(Nc1ccccc1O)C1CCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001463462869 1068407570 /nfs/dbraw/zinc/40/75/70/1068407570.db2.gz UHHJJUXDHCHGFB-UHFFFAOYSA-N 0 0 456.608 4.620 20 0 JJADRN Cc1ncc(NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1Br ZINC001463462399 1068407671 /nfs/dbraw/zinc/40/76/71/1068407671.db2.gz QPNOABWHYDWTMC-KRWDZBQOSA-N 0 0 453.178 4.691 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC001463461825 1068407734 /nfs/dbraw/zinc/40/77/34/1068407734.db2.gz DWNHZXYUDIISSC-SFHVURJKSA-N 0 0 450.604 4.983 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCCC[C@@]12CCCOC2 ZINC001463463583 1068408428 /nfs/dbraw/zinc/40/84/28/1068408428.db2.gz VXXRUXBZRXKHGY-UTKZUKDTSA-N 0 0 455.380 4.812 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC001463463868 1068408449 /nfs/dbraw/zinc/40/84/49/1068408449.db2.gz YXMAZNMFSYMIBZ-UHFFFAOYSA-N 0 0 450.757 4.851 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H](Cc1ccccc1)c1ccccn1)N1CCCC1 ZINC001463464833 1068410210 /nfs/dbraw/zinc/41/02/10/1068410210.db2.gz FTDDBBMXRVLEPR-QFIPXVFZSA-N 0 0 459.615 4.552 20 0 JJADRN O=S(=O)(NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(Br)cc1Cl ZINC001463468778 1068411559 /nfs/dbraw/zinc/41/15/59/1068411559.db2.gz FGVLVKIRXOBBES-UHFFFAOYSA-N 0 0 453.160 4.905 20 0 JJADRN O=C(Nc1nn(CC(F)F)c2ccccc12)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001463469983 1068411504 /nfs/dbraw/zinc/41/15/04/1068411504.db2.gz MPDCDBLDILRODS-UHFFFAOYSA-N 0 0 451.264 4.500 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c3ccc(C)cc3)cc21 ZINC001463469399 1068411642 /nfs/dbraw/zinc/41/16/42/1068411642.db2.gz HXVOMQOCGCSHNU-MGPUTAFESA-N 0 0 454.514 4.827 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cc(I)c(F)cc1F ZINC001463473347 1068413042 /nfs/dbraw/zinc/41/30/42/1068413042.db2.gz NBXMLGBXOGOABB-INIZCTEOSA-N 0 0 459.278 4.667 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001463475288 1068414375 /nfs/dbraw/zinc/41/43/75/1068414375.db2.gz FCMZVWSLPVEUKX-UHFFFAOYSA-N 0 0 459.395 4.709 20 0 JJADRN COC(=O)[C@]1(CNC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCOC1 ZINC001463478757 1068415004 /nfs/dbraw/zinc/41/50/04/1068415004.db2.gz GVIKGJWJPBMBPF-NRFANRHFSA-N 0 0 454.375 4.595 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3Br)C1)C2 ZINC001463480599 1068415839 /nfs/dbraw/zinc/41/58/39/1068415839.db2.gz CFEPYZRVVSEUSO-GOSISDBHSA-N 0 0 455.396 4.684 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCc3c(Br)ccc(F)c3C2)cc1C(F)(F)F ZINC001463485686 1068416434 /nfs/dbraw/zinc/41/64/34/1068416434.db2.gz OFBBFHPMGZOPHO-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN Cc1cccc(NC(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)c1I ZINC001463490502 1068417704 /nfs/dbraw/zinc/41/77/04/1068417704.db2.gz HIDZCXSOMOVMOS-PKNBQFBNSA-N 0 0 453.276 4.800 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001463489916 1068417728 /nfs/dbraw/zinc/41/77/28/1068417728.db2.gz WWOAIUBZHHNPHW-MRXNPFEDSA-N 0 0 450.923 4.539 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463490022 1068417736 /nfs/dbraw/zinc/41/77/36/1068417736.db2.gz CBNQRSOELLMILZ-NFBKMPQASA-N 0 0 457.636 4.931 20 0 JJADRN COc1cc(F)cc(F)c1S(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001463491307 1068417768 /nfs/dbraw/zinc/41/77/68/1068417768.db2.gz DYQCSEXJXUPUHM-HNNXBMFYSA-N 0 0 454.495 4.592 20 0 JJADRN COc1cc(CNC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)cc(Cl)c1OC ZINC001463494832 1068418445 /nfs/dbraw/zinc/41/84/45/1068418445.db2.gz CWGGYSMFAAIWBZ-HXUWFJFHSA-N 0 0 455.357 4.993 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)CC1=O ZINC001463495685 1068419130 /nfs/dbraw/zinc/41/91/30/1068419130.db2.gz VQMDNIOJPZKMIQ-MSOLQXFVSA-N 0 0 452.551 4.766 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(C)c2I)cc1 ZINC001463496121 1068419175 /nfs/dbraw/zinc/41/91/75/1068419175.db2.gz YWBGUKJTMIGKOL-UHFFFAOYSA-N 0 0 450.320 4.724 20 0 JJADRN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC001463505747 1068421895 /nfs/dbraw/zinc/42/18/95/1068421895.db2.gz OHBSKVXHRRLECL-HNNXBMFYSA-N 0 0 455.433 4.599 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(C)C ZINC001463504981 1068421907 /nfs/dbraw/zinc/42/19/07/1068421907.db2.gz NDRWIVUHPXUILL-HXUWFJFHSA-N 0 0 457.514 4.908 20 0 JJADRN O=S(=O)(c1cc(Br)ccc1Br)N1CC2(CCC2)c2ccccc21 ZINC001463505129 1068422004 /nfs/dbraw/zinc/42/20/04/1068422004.db2.gz KSWZKFPGTJJZJH-UHFFFAOYSA-N 0 0 457.187 4.842 20 0 JJADRN Cc1noc(C[C@@H](NS(=O)(=O)c2ccc(OC(C)C)c3ccccc32)c2ccccc2)n1 ZINC001463507761 1068423306 /nfs/dbraw/zinc/42/33/06/1068423306.db2.gz SYZRFZHFSQQRAC-OAQYLSRUSA-N 0 0 451.548 4.581 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)cc1OC ZINC001463510867 1068423906 /nfs/dbraw/zinc/42/39/06/1068423906.db2.gz GFMBIDLHMDNXRU-FQEVSTJZSA-N 0 0 456.402 4.624 20 0 JJADRN COc1cccc(Cl)c1CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463510413 1068423921 /nfs/dbraw/zinc/42/39/21/1068423921.db2.gz DLQHLWJTFUHJPS-UHFFFAOYSA-N 0 0 459.576 4.896 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(F)c(Cl)c2)cc1Cl ZINC001463510880 1068423959 /nfs/dbraw/zinc/42/39/59/1068423959.db2.gz HJIPPBMMOAMHAL-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001546139572 1068425222 /nfs/dbraw/zinc/42/52/22/1068425222.db2.gz KYJIKKYIMNTVID-UZUQRXQVSA-N 0 0 451.567 4.607 20 0 JJADRN COc1ccc(Br)c(CN(C)S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC001463517936 1068426593 /nfs/dbraw/zinc/42/65/93/1068426593.db2.gz HLOMWRAXEGSYEU-UHFFFAOYSA-N 0 0 450.807 4.654 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001546139755 1068428829 /nfs/dbraw/zinc/42/88/29/1068428829.db2.gz OZVFTLAWOGMCAP-PLNGDYQASA-N 0 0 451.354 4.943 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001463529735 1068429429 /nfs/dbraw/zinc/42/94/29/1068429429.db2.gz UUPJDVSGLVPIAS-GWCFXTLKSA-N 0 0 455.285 4.558 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463533180 1068430928 /nfs/dbraw/zinc/43/09/28/1068430928.db2.gz RNSMRXOVJBKDGL-MRXNPFEDSA-N 0 0 456.530 4.660 20 0 JJADRN CO[C@H](CS(=O)(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1)C1CCCC1 ZINC001463533369 1068430939 /nfs/dbraw/zinc/43/09/39/1068430939.db2.gz VLARKDTWYNAKIF-GOSISDBHSA-N 0 0 456.358 4.550 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)NCC1(c3cc(F)cc(C(F)(F)F)c3)CC1)=C2 ZINC001463534781 1068431377 /nfs/dbraw/zinc/43/13/77/1068431377.db2.gz XVEIONQFWWRUTQ-UHFFFAOYSA-N 0 0 455.473 4.791 20 0 JJADRN O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463534203 1068431562 /nfs/dbraw/zinc/43/15/62/1068431562.db2.gz DEXIBYZQWMLERX-FQEVSTJZSA-N 0 0 453.420 4.771 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c2cccc(F)c2O1 ZINC001463535454 1068431573 /nfs/dbraw/zinc/43/15/73/1068431573.db2.gz JEYUMAYNDRVAQK-QMMMGPOBSA-N 0 0 455.132 4.871 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)c1cc(F)cc(Br)c1 ZINC001463538148 1068432980 /nfs/dbraw/zinc/43/29/80/1068432980.db2.gz VGFOTOZYRLGFQF-GOSISDBHSA-N 0 0 453.333 4.981 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)C(F)F ZINC001463537611 1068433146 /nfs/dbraw/zinc/43/31/46/1068433146.db2.gz RCNAFKXDOISHPJ-AWEZNQCLSA-N 0 0 457.861 4.672 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)c1cc(F)cc(Br)c1 ZINC001463538161 1068433743 /nfs/dbraw/zinc/43/37/43/1068433743.db2.gz VGFOTOZYRLGFQF-SFHVURJKSA-N 0 0 453.333 4.981 20 0 JJADRN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001463539621 1068433899 /nfs/dbraw/zinc/43/38/99/1068433899.db2.gz XLPCDMUWDFFIDF-MRXNPFEDSA-N 0 0 455.882 4.853 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)Oc3cnc4ccc(Br)cc4c3)cc21 ZINC001463540771 1068435192 /nfs/dbraw/zinc/43/51/92/1068435192.db2.gz HRRVXALHCZQZJG-UHFFFAOYSA-N 0 0 452.713 4.547 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cc1OC ZINC001463542393 1068435197 /nfs/dbraw/zinc/43/51/97/1068435197.db2.gz WAUODMYEAQNKRV-UHFFFAOYSA-N 0 0 456.583 4.776 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC001463542733 1068435224 /nfs/dbraw/zinc/43/52/24/1068435224.db2.gz JOOSPHTVOQJBHK-GMAHTHKFSA-N 0 0 450.579 4.763 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1OC ZINC001463543106 1068435917 /nfs/dbraw/zinc/43/59/17/1068435917.db2.gz LEZFMOAOOGJTEV-LJQANCHMSA-N 0 0 456.340 4.629 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc4ccccc4c3)cc(C(C)C)nc21 ZINC001463543797 1068435950 /nfs/dbraw/zinc/43/59/50/1068435950.db2.gz NUWOLASZFQUFNB-UHFFFAOYSA-N 0 0 458.562 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1 ZINC001463542961 1068435993 /nfs/dbraw/zinc/43/59/93/1068435993.db2.gz YUSJJZGNTVWYRO-UHFFFAOYSA-N 0 0 451.571 4.567 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C(C)C ZINC001463545206 1068436658 /nfs/dbraw/zinc/43/66/58/1068436658.db2.gz YGOMSRSPTLYEHR-PZJWPPBQSA-N 0 0 458.407 4.794 20 0 JJADRN O=S(=O)(Cc1cccc2cccnc21)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001463544321 1068436702 /nfs/dbraw/zinc/43/67/02/1068436702.db2.gz WWJWEPPXZKALNJ-NRFANRHFSA-N 0 0 459.409 4.828 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)s1 ZINC001463555837 1068440023 /nfs/dbraw/zinc/44/00/23/1068440023.db2.gz COUFIRIQVWPFSR-GOSISDBHSA-N 0 0 451.411 4.785 20 0 JJADRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@H]1Oc1ccccc1 ZINC001463557267 1068440819 /nfs/dbraw/zinc/44/08/19/1068440819.db2.gz YGOBBWGVOOZUGO-RBZQAINGSA-N 0 0 455.601 4.741 20 0 JJADRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@@H]1Oc1ccccc1 ZINC001463557270 1068441016 /nfs/dbraw/zinc/44/10/16/1068441016.db2.gz YGOBBWGVOOZUGO-SMIHKQSGSA-N 0 0 455.601 4.741 20 0 JJADRN CC(=O)c1ccc(OS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(Cl)c1 ZINC001463560068 1068442426 /nfs/dbraw/zinc/44/24/26/1068442426.db2.gz YYWGIVPFDQUQQS-UHFFFAOYSA-N 0 0 454.825 4.727 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001463559740 1068442478 /nfs/dbraw/zinc/44/24/78/1068442478.db2.gz MADNTMLUQNIFJV-KRWDZBQOSA-N 0 0 456.530 4.832 20 0 JJADRN CN(C)[C@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558722 1068442528 /nfs/dbraw/zinc/44/25/28/1068442528.db2.gz BYHYSKGJKKTALJ-IFMALSPDSA-N 0 0 454.920 4.727 20 0 JJADRN CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561591 1068444226 /nfs/dbraw/zinc/44/42/26/1068444226.db2.gz QIYSDEWSKNIMGA-SFHVURJKSA-N 0 0 456.395 4.606 20 0 JJADRN CCn1nc(C2CC2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001463564553 1068446009 /nfs/dbraw/zinc/44/60/09/1068446009.db2.gz NQAYGMJGHKWIHW-UHFFFAOYSA-N 0 0 458.971 4.795 20 0 JJADRN CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC001463569433 1068449761 /nfs/dbraw/zinc/44/97/61/1068449761.db2.gz DIUPQWPUXQARDD-LLVKDONJSA-N 0 0 452.823 4.814 20 0 JJADRN CC(C)(NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)c1cccc(Cl)c1F ZINC001463570726 1068450506 /nfs/dbraw/zinc/45/05/06/1068450506.db2.gz WGQVREBQYBGMIH-UHFFFAOYSA-N 0 0 450.746 4.605 20 0 JJADRN COC(=O)CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001463570128 1068450518 /nfs/dbraw/zinc/45/05/18/1068450518.db2.gz WDUASVDVNTUCTR-UHFFFAOYSA-N 0 0 452.382 4.911 20 0 JJADRN CC(F)(F)C1(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1 ZINC001463581120 1068454453 /nfs/dbraw/zinc/45/44/53/1068454453.db2.gz IYNDNLBIXDBWDG-UHFFFAOYSA-N 0 0 459.312 4.624 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)S(=O)(=O)CC[C@H]2CCCO2)c(Br)c1 ZINC001463580635 1068454476 /nfs/dbraw/zinc/45/44/76/1068454476.db2.gz GDFICXPIJZDEFI-QGZVFWFLSA-N 0 0 458.443 4.720 20 0 JJADRN CCCOc1ccc(C(C)(C)NS(=O)(=O)c2cc(Br)c(C)cc2OC)cc1 ZINC001463581792 1068455400 /nfs/dbraw/zinc/45/54/00/1068455400.db2.gz AOJTYMHSOVUVHK-UHFFFAOYSA-N 0 0 456.402 4.769 20 0 JJADRN COc1cccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)c1OCc1ccccc1F ZINC001463583021 1068456175 /nfs/dbraw/zinc/45/61/75/1068456175.db2.gz OFBCRRUEACKOQQ-UHFFFAOYSA-N 0 0 455.960 4.949 20 0 JJADRN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001463582638 1068456188 /nfs/dbraw/zinc/45/61/88/1068456188.db2.gz DETJJMDLKUYXDX-BJWYYQGGSA-N 0 0 452.414 4.988 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)S(=O)(=O)N2CCCC[C@@H]2C)c(Br)c1 ZINC001463584906 1068456957 /nfs/dbraw/zinc/45/69/57/1068456957.db2.gz WOWCLXZGBDZKPN-INIZCTEOSA-N 0 0 457.459 4.940 20 0 JJADRN CCc1cc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2)c(C)cc1OC ZINC001463586646 1068457590 /nfs/dbraw/zinc/45/75/90/1068457590.db2.gz DNEURBUAXISBBO-UHFFFAOYSA-N 0 0 452.414 4.897 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC001463586675 1068457605 /nfs/dbraw/zinc/45/76/05/1068457605.db2.gz BUYKTHPDXYCUET-UHFFFAOYSA-N 0 0 459.011 4.796 20 0 JJADRN COCCOc1cccc(OS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 ZINC001463585323 1068457624 /nfs/dbraw/zinc/45/76/24/1068457624.db2.gz UTNLITHTDODBIZ-UHFFFAOYSA-N 0 0 456.141 4.549 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)cc1 ZINC001463587603 1068458107 /nfs/dbraw/zinc/45/81/07/1068458107.db2.gz FJFRTVUEGYVDBF-PMACEKPBSA-N 0 0 459.656 4.973 20 0 JJADRN CC1(C)CCc2c(OS(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cccc2O1 ZINC001463587898 1068458313 /nfs/dbraw/zinc/45/83/13/1068458313.db2.gz GFSJXWWXQIIVED-UHFFFAOYSA-N 0 0 455.507 4.949 20 0 JJADRN CN(Cc1ccc(Br)s1)C(=O)CCSCCCNC(=O)OC(C)(C)C ZINC001463590089 1068458910 /nfs/dbraw/zinc/45/89/10/1068458910.db2.gz IYJBWQLVWTTXFB-UHFFFAOYSA-N 0 0 451.452 4.507 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(Oc3cccc4ccccc43)cc2)s1 ZINC001463592931 1068459585 /nfs/dbraw/zinc/45/95/85/1068459585.db2.gz PMIIKXIZDOAKFJ-UHFFFAOYSA-N 0 0 453.541 4.959 20 0 JJADRN O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001463597241 1068460075 /nfs/dbraw/zinc/46/00/75/1068460075.db2.gz GQVQOGVEDCSNIA-UHFFFAOYSA-N 0 0 453.461 4.541 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463595562 1068460296 /nfs/dbraw/zinc/46/02/96/1068460296.db2.gz MNCJQDLTESPPAO-CHWSQXEVSA-N 0 0 457.294 4.701 20 0 JJADRN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001463600450 1068461078 /nfs/dbraw/zinc/46/10/78/1068461078.db2.gz UZMQAEGEPUEGGD-UHFFFAOYSA-N 0 0 459.461 4.516 20 0 JJADRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c1 ZINC001463603494 1068461735 /nfs/dbraw/zinc/46/17/35/1068461735.db2.gz KUZZUYIEQMNCIQ-AWEZNQCLSA-N 0 0 459.486 4.592 20 0 JJADRN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463603054 1068461818 /nfs/dbraw/zinc/46/18/18/1068461818.db2.gz GSKCMFYLPVIQDC-UHFFFAOYSA-N 0 0 457.785 4.639 20 0 JJADRN O=S(=O)(c1ccccc1OC(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001463601267 1068461924 /nfs/dbraw/zinc/46/19/24/1068461924.db2.gz ZXRIIKYPVHHQNY-UHFFFAOYSA-N 0 0 453.404 4.956 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1c(C)sc(C)c1Br ZINC001463607153 1068464050 /nfs/dbraw/zinc/46/40/50/1068464050.db2.gz MAOPVMOFBPXCDW-AWEZNQCLSA-N 0 0 452.823 4.789 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001463612405 1068466091 /nfs/dbraw/zinc/46/60/91/1068466091.db2.gz BQZMZKHGNKHVIQ-GBESFXJTSA-N 0 0 456.391 4.776 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001463611621 1068466179 /nfs/dbraw/zinc/46/61/79/1068466179.db2.gz MVDNSWRLCSDLQO-AREMUKBSSA-N 0 0 450.276 4.874 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001463612736 1068466256 /nfs/dbraw/zinc/46/62/56/1068466256.db2.gz YESWGWTXDCQROI-UHFFFAOYSA-N 0 0 451.032 4.569 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001463614941 1068467837 /nfs/dbraw/zinc/46/78/37/1068467837.db2.gz ZJRVYGUAPYXTCT-SMDDNHRTSA-N 0 0 451.169 4.599 20 0 JJADRN COc1ccc(CCNC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1 ZINC001463622395 1068470059 /nfs/dbraw/zinc/47/00/59/1068470059.db2.gz XBGVUIDBHPWPFA-UHFFFAOYSA-N 0 0 459.612 4.547 20 0 JJADRN CCOc1ccccc1N1CCN(C(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)CC1 ZINC001463624848 1068471362 /nfs/dbraw/zinc/47/13/62/1068471362.db2.gz LMICDTNTRJQFAT-FCDQGJHFSA-N 0 0 458.558 4.689 20 0 JJADRN CCOc1ccccc1N1CCN(C(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)CC1 ZINC001463624851 1068471492 /nfs/dbraw/zinc/47/14/92/1068471492.db2.gz LMICDTNTRJQFAT-NMWGTECJSA-N 0 0 458.558 4.689 20 0 JJADRN O=C(CCSc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001463627722 1068473669 /nfs/dbraw/zinc/47/36/69/1068473669.db2.gz XASPWSURZNFAKQ-UHFFFAOYSA-N 0 0 450.969 4.532 20 0 JJADRN O=C(Cc1ccc2cnccc2c1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463627195 1068473681 /nfs/dbraw/zinc/47/36/81/1068473681.db2.gz VVZSDQXUVDCWGG-UHFFFAOYSA-N 0 0 451.935 4.870 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)c(F)c2)c(Br)c1 ZINC001463628069 1068474205 /nfs/dbraw/zinc/47/42/05/1068474205.db2.gz APHGDJSJTMEMHD-KRWDZBQOSA-N 0 0 456.377 4.575 20 0 JJADRN CC(C)(C)[C@@H]1CN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc21 ZINC001463628423 1068474210 /nfs/dbraw/zinc/47/42/10/1068474210.db2.gz RSMBPJYSGBCEFR-IFMALSPDSA-N 0 0 456.608 4.767 20 0 JJADRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)c(Cl)c1 ZINC001463627934 1068474268 /nfs/dbraw/zinc/47/42/68/1068474268.db2.gz XREKHALJNIJNOX-ZDUSSCGKSA-N 0 0 453.347 4.807 20 0 JJADRN CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001463639976 1068478433 /nfs/dbraw/zinc/47/84/33/1068478433.db2.gz BOTXXWYRBXUSED-UHFFFAOYSA-N 0 0 454.368 4.650 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c1 ZINC001463642821 1068478922 /nfs/dbraw/zinc/47/89/22/1068478922.db2.gz UHKOCIWQIJZFBS-KRWDZBQOSA-N 0 0 457.523 4.539 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1nc(C2CCCC2)cs1 ZINC001463647872 1068480135 /nfs/dbraw/zinc/48/01/35/1068480135.db2.gz RTTKGTSQQGZMMX-UHFFFAOYSA-N 0 0 450.402 4.511 20 0 JJADRN CSc1ccccc1S(=O)(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC001463646225 1068480168 /nfs/dbraw/zinc/48/01/68/1068480168.db2.gz VZTUKBNUYHRIPH-UHFFFAOYSA-N 0 0 453.339 4.521 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001463651141 1068480787 /nfs/dbraw/zinc/48/07/87/1068480787.db2.gz NTLPIXODWDFFOV-JLCFBVMHSA-N 0 0 454.564 4.632 20 0 JJADRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001463650205 1068480806 /nfs/dbraw/zinc/48/08/06/1068480806.db2.gz QBCBMILVEFXZLJ-UHFFFAOYSA-N 0 0 452.432 4.774 20 0 JJADRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1OC ZINC001463652175 1068481367 /nfs/dbraw/zinc/48/13/67/1068481367.db2.gz QETHJINCJBAHIJ-OAQYLSRUSA-N 0 0 453.988 4.933 20 0 JJADRN CC[C@@H](C)c1nnc([C@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653493 1068482325 /nfs/dbraw/zinc/48/23/25/1068482325.db2.gz XYSJUJWKWBLYNF-MNOVXSKESA-N 0 0 459.519 4.500 20 0 JJADRN COc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)CC2)c1 ZINC001463653063 1068482507 /nfs/dbraw/zinc/48/25/07/1068482507.db2.gz JYPGZCYXDRFINM-UHFFFAOYSA-N 0 0 456.951 4.820 20 0 JJADRN CCCCc1ccc(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001463654928 1068483057 /nfs/dbraw/zinc/48/30/57/1068483057.db2.gz GPWAACZNBPTZGJ-AREMUKBSSA-N 0 0 458.558 4.867 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1(c2cccnc2)CCCC1 ZINC001463655181 1068483253 /nfs/dbraw/zinc/48/32/53/1068483253.db2.gz UGIMVYPDBXHGMU-UHFFFAOYSA-N 0 0 455.967 4.986 20 0 JJADRN CC(C)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001463654663 1068483265 /nfs/dbraw/zinc/48/32/65/1068483265.db2.gz HFMSMOGLRVNCBD-UHFFFAOYSA-N 0 0 451.611 4.566 20 0 JJADRN O=C(Nc1ccc(I)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001463656719 1068484339 /nfs/dbraw/zinc/48/43/39/1068484339.db2.gz NTPVFPHHDWSXGG-UHFFFAOYSA-N 0 0 458.177 4.816 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001463656585 1068484387 /nfs/dbraw/zinc/48/43/87/1068484387.db2.gz YPCWOOBNIJAVTA-NSHDSACASA-N 0 0 459.467 4.626 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)cc1Cl ZINC001463662645 1068486968 /nfs/dbraw/zinc/48/69/68/1068486968.db2.gz DDQHQYVWDILTNU-MRXNPFEDSA-N 0 0 458.407 4.814 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)Oc1ccc(SC(F)(F)F)cc1 ZINC001463662953 1068487087 /nfs/dbraw/zinc/48/70/87/1068487087.db2.gz IYTBSQIYPRJCPJ-UHFFFAOYSA-N 0 0 457.289 4.978 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463664350 1068487796 /nfs/dbraw/zinc/48/77/96/1068487796.db2.gz IQLOGDXIFCHTCZ-OAHLLOKOSA-N 0 0 451.416 4.593 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC001463663292 1068487807 /nfs/dbraw/zinc/48/78/07/1068487807.db2.gz YXVXCBVWKOLNTJ-SFHVURJKSA-N 0 0 458.386 4.522 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001463665087 1068487827 /nfs/dbraw/zinc/48/78/27/1068487827.db2.gz MQDHLMDTVRRNEQ-KRWDZBQOSA-N 0 0 453.564 4.898 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC001463666229 1068488533 /nfs/dbraw/zinc/48/85/33/1068488533.db2.gz PMYOCVAFYOPHHD-HSZRJFAPSA-N 0 0 456.608 4.765 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C4CC4)nc3C)ccc2C)cc1 ZINC001463667463 1068488989 /nfs/dbraw/zinc/48/89/89/1068488989.db2.gz VGRUXVXSEPTHAL-UHFFFAOYSA-N 0 0 451.548 4.638 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCCN(c2ccccc2F)CC1 ZINC001463669856 1068489063 /nfs/dbraw/zinc/48/90/63/1068489063.db2.gz VSWPBAUWRSJHIF-UHFFFAOYSA-N 0 0 452.979 4.559 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC001463677899 1068490996 /nfs/dbraw/zinc/49/09/96/1068490996.db2.gz DMXCFIWBYLMWCS-UGKGYDQZSA-N 0 0 458.624 4.729 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001463677101 1068491139 /nfs/dbraw/zinc/49/11/39/1068491139.db2.gz OIHKXEZUNYZPSZ-DNQXCXABSA-N 0 0 453.560 4.783 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N2Cc3ccccc3C3(CCC3)C2)cc1Cl ZINC001463682647 1068492273 /nfs/dbraw/zinc/49/22/73/1068492273.db2.gz UEUQAWUFSPALQK-UHFFFAOYSA-N 0 0 456.391 4.645 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001463682344 1068492301 /nfs/dbraw/zinc/49/23/01/1068492301.db2.gz UGFRRFRRNVKLME-IEBWSBKVSA-N 0 0 457.036 4.875 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001463683010 1068492359 /nfs/dbraw/zinc/49/23/59/1068492359.db2.gz FYXHQIZHTJGELO-OAHLLOKOSA-N 0 0 453.178 4.915 20 0 JJADRN Cc1ccc2c(c1)CN(S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)CCO2 ZINC001463684328 1068492943 /nfs/dbraw/zinc/49/29/43/1068492943.db2.gz PZLBYVRBYLRTKX-UHFFFAOYSA-N 0 0 451.169 4.648 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CCOCC1 ZINC001546140868 1068492995 /nfs/dbraw/zinc/49/29/95/1068492995.db2.gz PUARCJHMXYRCFJ-LJQANCHMSA-N 0 0 452.521 4.780 20 0 JJADRN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463685765 1068493592 /nfs/dbraw/zinc/49/35/92/1068493592.db2.gz CLAOBJBZDSLOQJ-MRXNPFEDSA-N 0 0 453.461 4.599 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463687987 1068494237 /nfs/dbraw/zinc/49/42/37/1068494237.db2.gz NBCWZZHTDCAXRH-XIRDDKMYSA-N 0 0 459.452 4.715 20 0 JJADRN O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001463690900 1068495463 /nfs/dbraw/zinc/49/54/63/1068495463.db2.gz HKLFOHLZAVHYRW-FKBYEOEOSA-N 0 0 456.048 4.652 20 0 JJADRN O=S(=O)(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001463692186 1068495504 /nfs/dbraw/zinc/49/55/04/1068495504.db2.gz ONYOMXXUURCLJM-CQSZACIVSA-N 0 0 450.807 4.610 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNS(=O)(=O)c3cnc4ccsc4c3)cc2)c1 ZINC001463691188 1068495624 /nfs/dbraw/zinc/49/56/24/1068495624.db2.gz PKPQZUFUTCLDNJ-UHFFFAOYSA-N 0 0 456.545 4.584 20 0 JJADRN COCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(COC)c1)c1ccc(Cl)c(Cl)c1 ZINC001463695948 1068497196 /nfs/dbraw/zinc/49/71/96/1068497196.db2.gz WKISIBMDOMISIA-GOSISDBHSA-N 0 0 452.787 4.849 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C)c(I)c1 ZINC001463697647 1068497219 /nfs/dbraw/zinc/49/72/19/1068497219.db2.gz RSMDYGGFULSJSV-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c(Br)c1 ZINC001463697744 1068497867 /nfs/dbraw/zinc/49/78/67/1068497867.db2.gz KQKTZCHFQJLOMM-SWLSCSKDSA-N 0 0 453.240 4.821 20 0 JJADRN COc1ccc(NC(=O)/C(C)=C\c2ccncc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463700097 1068498563 /nfs/dbraw/zinc/49/85/63/1068498563.db2.gz PAYDZSAZEBPKOZ-SQFISAMPSA-N 0 0 457.939 4.586 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699028 1068498650 /nfs/dbraw/zinc/49/86/50/1068498650.db2.gz PCDIZUOBMPRSRX-SFHVURJKSA-N 0 0 452.901 4.524 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C(=O)c1cccc(F)c1 ZINC001463701692 1068499883 /nfs/dbraw/zinc/49/98/83/1068499883.db2.gz UNCDTOBZNFGBQV-MRXNPFEDSA-N 0 0 453.539 4.633 20 0 JJADRN COCC[C@@H](NS(=O)(=O)c1ccc2ccnc(Cl)c2c1)c1cccc(C(F)(F)F)c1 ZINC001463706388 1068500733 /nfs/dbraw/zinc/50/07/33/1068500733.db2.gz DBPYKDHHZGBFCK-GOSISDBHSA-N 0 0 458.889 4.963 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1cccnc1 ZINC001463706703 1068500865 /nfs/dbraw/zinc/50/08/65/1068500865.db2.gz LESIMNNKVHCIFQ-HNNXBMFYSA-N 0 0 453.955 4.604 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1C ZINC001463709303 1068501350 /nfs/dbraw/zinc/50/13/50/1068501350.db2.gz DFEMRLRACZQWHF-UHFFFAOYSA-N 0 0 457.621 4.659 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)cn2)n1 ZINC001463708566 1068501441 /nfs/dbraw/zinc/50/14/41/1068501441.db2.gz DQEXACKFRJAPRC-UHFFFAOYSA-N 0 0 452.584 4.649 20 0 JJADRN COc1ccc(F)cc1CS(=O)(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001463710355 1068502048 /nfs/dbraw/zinc/50/20/48/1068502048.db2.gz OQPGGTDVSHPWQQ-UHFFFAOYSA-N 0 0 456.377 4.876 20 0 JJADRN O=C(CC1CCN(CC(F)(F)F)CC1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001463711490 1068502079 /nfs/dbraw/zinc/50/20/79/1068502079.db2.gz YTAFIQNDELCYAK-UHFFFAOYSA-N 0 0 456.512 4.820 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(Cl)c1 ZINC001463712549 1068502718 /nfs/dbraw/zinc/50/27/18/1068502718.db2.gz ZLEKMEDAJDRVJQ-UHFFFAOYSA-N 0 0 458.002 4.532 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)c1 ZINC001463714418 1068502745 /nfs/dbraw/zinc/50/27/45/1068502745.db2.gz YNURPTBZLZRUID-UHFFFAOYSA-N 0 0 459.436 4.572 20 0 JJADRN CCc1c(C(=O)NCc2ccc(OC(F)F)cc2)cnn1-c1ccc(Br)cc1 ZINC001463718144 1068503693 /nfs/dbraw/zinc/50/36/93/1068503693.db2.gz ADWOARBSBMYJSJ-UHFFFAOYSA-N 0 0 450.283 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463718242 1068503720 /nfs/dbraw/zinc/50/37/20/1068503720.db2.gz LIVWUENXFIWKBO-HNNXBMFYSA-N 0 0 451.416 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463718245 1068504293 /nfs/dbraw/zinc/50/42/93/1068504293.db2.gz LIVWUENXFIWKBO-OAHLLOKOSA-N 0 0 451.416 4.593 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC001463721122 1068504738 /nfs/dbraw/zinc/50/47/38/1068504738.db2.gz KNNRCDJRPQWHSG-HXUWFJFHSA-N 0 0 455.624 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001463725693 1068505374 /nfs/dbraw/zinc/50/53/74/1068505374.db2.gz NNXPAUXHDCRQIM-XMMPIXPASA-N 0 0 451.611 4.664 20 0 JJADRN CCCN(c1ccc(CC)cc1)S(=O)(=O)c1cc(C(=O)OCC)ccc1Br ZINC001463726850 1068505797 /nfs/dbraw/zinc/50/57/97/1068505797.db2.gz VXHPDRVETKBERY-UHFFFAOYSA-N 0 0 454.386 4.794 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC001463730688 1068506847 /nfs/dbraw/zinc/50/68/47/1068506847.db2.gz IFRRPWATGWFPBJ-UHFFFAOYSA-N 0 0 456.586 4.672 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Br)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001463731823 1068506944 /nfs/dbraw/zinc/50/69/44/1068506944.db2.gz STJRVHCSNMNZOR-MRXNPFEDSA-N 0 0 454.777 4.895 20 0 JJADRN O=S(=O)(NCCOc1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463731946 1068507068 /nfs/dbraw/zinc/50/70/68/1068507068.db2.gz NASALKGLRCGJQZ-UHFFFAOYSA-N 0 0 453.894 4.555 20 0 JJADRN O=S(=O)(N[C@@H]1CCc2c1ccc(F)c2Br)c1ccc2ccnc(Cl)c2c1 ZINC001463733500 1068507403 /nfs/dbraw/zinc/50/74/03/1068507403.db2.gz KDFRFXGVYRWJBO-MRXNPFEDSA-N 0 0 455.736 4.756 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC001463737690 1068508003 /nfs/dbraw/zinc/50/80/03/1068508003.db2.gz QTLWLCBDYMASFG-UHFFFAOYSA-N 0 0 457.412 4.532 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC001463738500 1068508696 /nfs/dbraw/zinc/50/86/96/1068508696.db2.gz OSZHDTVUYNMXKN-UHFFFAOYSA-N 0 0 452.501 4.510 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC001463743934 1068510204 /nfs/dbraw/zinc/51/02/04/1068510204.db2.gz JBXMTSNUEQCMJQ-UHFFFAOYSA-N 0 0 456.514 4.879 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001463744397 1068510360 /nfs/dbraw/zinc/51/03/60/1068510360.db2.gz PMMVEJXTGOHQFK-UHFFFAOYSA-N 0 0 456.321 4.938 20 0 JJADRN Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)c(C)c1 ZINC001463748148 1068511313 /nfs/dbraw/zinc/51/13/13/1068511313.db2.gz QYOVAFBNNJFKIN-UHFFFAOYSA-N 0 0 458.530 4.745 20 0 JJADRN O=C(NCCc1ccc2c(c1)OCO2)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001463746687 1068511341 /nfs/dbraw/zinc/51/13/41/1068511341.db2.gz XEGBBCYHKNVYEG-QFIPXVFZSA-N 0 0 454.320 4.657 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001463749991 1068511903 /nfs/dbraw/zinc/51/19/03/1068511903.db2.gz CAYCUKQWCCRTPT-UHFFFAOYSA-N 0 0 455.917 4.862 20 0 JJADRN O=S(=O)(N1CCC(c2nc(C(F)(F)F)cs2)CC1)N1CCC2(CCCCC2)CC1 ZINC001463748363 1068512067 /nfs/dbraw/zinc/51/20/67/1068512067.db2.gz RTNQZUFJGONWNB-UHFFFAOYSA-N 0 0 451.580 4.632 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)c3sc(C)cc3OCc3ccccc3)CC2)c(F)c1 ZINC001463752966 1068513072 /nfs/dbraw/zinc/51/30/72/1068513072.db2.gz PLOGCKHYHSWQHR-UHFFFAOYSA-N 0 0 452.551 4.940 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC001463760429 1068515422 /nfs/dbraw/zinc/51/54/22/1068515422.db2.gz CIVSCJXPDOOBIH-UHFFFAOYSA-N 0 0 452.937 4.898 20 0 JJADRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)Cc1ncsc1Br ZINC001463766476 1068517775 /nfs/dbraw/zinc/51/77/75/1068517775.db2.gz RVAMZOAMQWEPIO-INIZCTEOSA-N 0 0 451.839 4.636 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463766940 1068517784 /nfs/dbraw/zinc/51/77/84/1068517784.db2.gz YCDVKRXJRLDPMN-OPAMFIHVSA-N 0 0 453.526 4.602 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC001463768864 1068518271 /nfs/dbraw/zinc/51/82/71/1068518271.db2.gz SKUYVQXYNGVMJH-OAHLLOKOSA-N 0 0 450.276 4.703 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC001463770199 1068518661 /nfs/dbraw/zinc/51/86/61/1068518661.db2.gz YGMLWOOOBLOUTE-GDBMZVCRSA-N 0 0 458.805 4.973 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001463771387 1068520031 /nfs/dbraw/zinc/52/00/31/1068520031.db2.gz AJXBJPHBFBEKLC-CTNGQTDRSA-N 0 0 456.608 4.593 20 0 JJADRN C[C@@H](OCCCNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1ccccc1 ZINC001463777148 1068521651 /nfs/dbraw/zinc/52/16/51/1068521651.db2.gz LQJKNLZFADOPEY-BAYXNVEISA-N 0 0 459.575 4.684 20 0 JJADRN C[C@H](OCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001463778533 1068522204 /nfs/dbraw/zinc/52/22/04/1068522204.db2.gz WMRHNOZSOFWVJW-WMZHIEFXSA-N 0 0 454.636 4.783 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCOc3cc(F)c(Br)cc32)c1Cl ZINC001463780718 1068522464 /nfs/dbraw/zinc/52/24/64/1068522464.db2.gz FWROQZXVHSJKCA-UHFFFAOYSA-N 0 0 455.132 4.791 20 0 JJADRN CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC001463780057 1068522587 /nfs/dbraw/zinc/52/25/87/1068522587.db2.gz WATOXBWFNXAKDP-UHFFFAOYSA-N 0 0 451.573 4.822 20 0 JJADRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001463785676 1068523641 /nfs/dbraw/zinc/52/36/41/1068523641.db2.gz SIJMANLCURQGMB-QFIPXVFZSA-N 0 0 452.551 4.750 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1CC ZINC001463787732 1068524088 /nfs/dbraw/zinc/52/40/88/1068524088.db2.gz WOVDORVKYISVBG-UHFFFAOYSA-N 0 0 451.032 4.981 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1C ZINC001463788945 1068524841 /nfs/dbraw/zinc/52/48/41/1068524841.db2.gz AJTVEZIQWYGSFT-LJQANCHMSA-N 0 0 457.514 4.872 20 0 JJADRN CC(C)c1ccc(CN2CCN(S(=O)(=O)c3cccc4c3cccc4N(C)C)CC2)cc1 ZINC001463790114 1068525249 /nfs/dbraw/zinc/52/52/49/1068525249.db2.gz HEQPUYOOETTZMG-UHFFFAOYSA-N 0 0 451.636 4.536 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1 ZINC001463792963 1068525853 /nfs/dbraw/zinc/52/58/53/1068525853.db2.gz PIXCEZHYANJBJD-LJQANCHMSA-N 0 0 457.514 4.953 20 0 JJADRN CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC001463796885 1068527454 /nfs/dbraw/zinc/52/74/54/1068527454.db2.gz SPSCPMPUGTWLMY-UHFFFAOYSA-N 0 0 452.986 4.749 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001463797385 1068528016 /nfs/dbraw/zinc/52/80/16/1068528016.db2.gz QGQNJYOONNSQQV-AULYBMBSSA-N 0 0 452.267 4.832 20 0 JJADRN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1 ZINC001463798953 1068528675 /nfs/dbraw/zinc/52/86/75/1068528675.db2.gz FKXYBIQGEKHBCX-UHFFFAOYSA-N 0 0 455.407 4.654 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1 ZINC001463801620 1068530117 /nfs/dbraw/zinc/53/01/17/1068530117.db2.gz XZNWZSZXYGVGEZ-UHFFFAOYSA-N 0 0 459.458 4.994 20 0 JJADRN Cc1cc(CC(C)(C)NS(=O)(=O)C2=Cc3ccccc3OCC2)ccc1Br ZINC001463802332 1068530211 /nfs/dbraw/zinc/53/02/11/1068530211.db2.gz RURQZSSIDMAERI-UHFFFAOYSA-N 0 0 450.398 4.822 20 0 JJADRN O=C(COc1cc(F)cc(F)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463802646 1068530887 /nfs/dbraw/zinc/53/08/87/1068530887.db2.gz YULIBFUGOWZXCD-UHFFFAOYSA-N 0 0 458.455 4.556 20 0 JJADRN C[C@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Br)cc1 ZINC001463805208 1068531370 /nfs/dbraw/zinc/53/13/70/1068531370.db2.gz DLUXBAUPTNIZCB-HNNXBMFYSA-N 0 0 455.318 4.916 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)Oc3c(Cl)cc(Cl)c4cccnc43)cc2F)c1 ZINC001463806001 1068531882 /nfs/dbraw/zinc/53/18/82/1068531882.db2.gz IDKBCIWAPTXFAT-UHFFFAOYSA-N 0 0 452.294 4.943 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc(Cl)ccc1OC(F)F ZINC001463808658 1068532373 /nfs/dbraw/zinc/53/23/73/1068532373.db2.gz LPDWMXCSTMRNRR-VQTJNVASSA-N 0 0 453.894 4.695 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2=O)c1 ZINC001463810858 1068533423 /nfs/dbraw/zinc/53/34/23/1068533423.db2.gz UWBTYLDHRVQRCR-HNNXBMFYSA-N 0 0 457.646 4.614 20 0 JJADRN Cc1nc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(-c2ccccc2)s1 ZINC001463812413 1068534047 /nfs/dbraw/zinc/53/40/47/1068534047.db2.gz QZDBGLOVRDHITB-YADHBBJMSA-N 0 0 450.585 4.872 20 0 JJADRN Cc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001463816125 1068534677 /nfs/dbraw/zinc/53/46/77/1068534677.db2.gz HNXAKGGDTVKMBU-UHFFFAOYSA-N 0 0 453.468 4.717 20 0 JJADRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC001463817549 1068534754 /nfs/dbraw/zinc/53/47/54/1068534754.db2.gz NHDKOWHKSKGMHP-UHFFFAOYSA-N 0 0 454.530 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNS(=O)(=O)c3cccc4c3CCCC4)cccc21 ZINC001463819205 1068535236 /nfs/dbraw/zinc/53/52/36/1068535236.db2.gz LVENFADYXDKMMO-UHFFFAOYSA-N 0 0 456.608 4.732 20 0 JJADRN CCc1ccccc1[C@@H](CNS(=O)(=O)c1cccc(C)c1Cl)NC(=O)OC(C)(C)C ZINC001463823192 1068536144 /nfs/dbraw/zinc/53/61/44/1068536144.db2.gz BQHMRHDZYDOCBW-GOSISDBHSA-N 0 0 453.004 4.755 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)cc(F)c2N)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825420 1068537068 /nfs/dbraw/zinc/53/70/68/1068537068.db2.gz FVXSTADYDGAAIK-UHFFFAOYSA-N 0 0 451.882 4.562 20 0 JJADRN CC(C)c1nc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)nn1-c1cccc(F)c1 ZINC001463825423 1068537182 /nfs/dbraw/zinc/53/71/82/1068537182.db2.gz GBAWMCUGNDEHPL-NRFANRHFSA-N 0 0 455.965 4.750 20 0 JJADRN COc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC001463824886 1068537206 /nfs/dbraw/zinc/53/72/06/1068537206.db2.gz QOJPXQPIHNDQAD-UHFFFAOYSA-N 0 0 456.995 4.947 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC001463825651 1068537519 /nfs/dbraw/zinc/53/75/19/1068537519.db2.gz JBJZSKYSANWWPB-HSZRJFAPSA-N 0 0 452.938 4.891 20 0 JJADRN CCn1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1C1CC1 ZINC001463826474 1068538442 /nfs/dbraw/zinc/53/84/42/1068538442.db2.gz SQQRCVXHPLRBBC-UHFFFAOYSA-N 0 0 458.971 4.795 20 0 JJADRN CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001463829705 1068539835 /nfs/dbraw/zinc/53/98/35/1068539835.db2.gz NVKBLKUPPQNBOW-JOCHJYFZSA-N 0 0 454.473 4.914 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(OC)c1OC ZINC001463831715 1068539954 /nfs/dbraw/zinc/53/99/54/1068539954.db2.gz CSFPMPFRFJMEFS-UHFFFAOYSA-N 0 0 459.502 4.857 20 0 JJADRN O=S(=O)(NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)c1ccnn1CC1CCC1 ZINC001463829442 1068539973 /nfs/dbraw/zinc/53/99/73/1068539973.db2.gz IROFSKHPVJPABB-JOCHJYFZSA-N 0 0 459.999 4.573 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001463832469 1068540509 /nfs/dbraw/zinc/54/05/09/1068540509.db2.gz LQOJRNDDKNTZLC-QFBILLFUSA-N 0 0 452.661 4.772 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC001463833433 1068540540 /nfs/dbraw/zinc/54/05/40/1068540540.db2.gz JEYWWTABQZRKBM-JOCHJYFZSA-N 0 0 457.534 4.699 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001463832388 1068540710 /nfs/dbraw/zinc/54/07/10/1068540710.db2.gz NHRRVEPDTUPEMG-UHFFFAOYSA-N 0 0 457.596 4.776 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)OCc2cccc(Cl)c2)CC1 ZINC001463833717 1068541284 /nfs/dbraw/zinc/54/12/84/1068541284.db2.gz PYBFEYNGFIOUSB-PMACEKPBSA-N 0 0 452.979 4.761 20 0 JJADRN CN(c1ccc(OC(=O)c2cc3ccccc3cc2O)cc1)S(=O)(=O)c1ccccc1F ZINC001463840611 1068544105 /nfs/dbraw/zinc/54/41/05/1068544105.db2.gz AWOVGTSWFKKLEK-UHFFFAOYSA-N 0 0 451.475 4.729 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1OC ZINC001463841077 1068544235 /nfs/dbraw/zinc/54/42/35/1068544235.db2.gz RMZIVZWTLSAEMA-OAQYLSRUSA-N 0 0 454.567 4.635 20 0 JJADRN O=C(OCc1ccccc1)N1CCC(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC001463844622 1068545783 /nfs/dbraw/zinc/54/57/83/1068545783.db2.gz KTHZSBUYUXOGOO-QFIPXVFZSA-N 0 0 456.970 4.759 20 0 JJADRN COc1ccc(NC(=O)c2ccc(I)cc2N)cc1Cc1ccccc1 ZINC001463846544 1068546278 /nfs/dbraw/zinc/54/62/78/1068546278.db2.gz OEPPCMCSDAVDEP-UHFFFAOYSA-N 0 0 458.299 4.725 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1C(F)(F)F ZINC001463846343 1068546344 /nfs/dbraw/zinc/54/63/44/1068546344.db2.gz PBICQHOMGBZHSV-UHFFFAOYSA-N 0 0 454.495 4.806 20 0 JJADRN COc1ccc(NC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)cc1Cc1ccccc1 ZINC001463848863 1068547264 /nfs/dbraw/zinc/54/72/64/1068547264.db2.gz WWNDZXVWLWADON-HFZDXXHNSA-N 0 0 454.567 4.639 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)cc2)cc1 ZINC001463847507 1068547273 /nfs/dbraw/zinc/54/72/73/1068547273.db2.gz UNKHXQPKDPSOST-IFMALSPDSA-N 0 0 456.589 4.572 20 0 JJADRN O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CCc2cccc(Cl)c2C1 ZINC001463852285 1068548274 /nfs/dbraw/zinc/54/82/74/1068548274.db2.gz ZVCPWCJGHMDZID-UHFFFAOYSA-N 0 0 454.695 4.868 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CC2)cc1 ZINC001463857401 1068548645 /nfs/dbraw/zinc/54/86/45/1068548645.db2.gz DLQRGRIBVCSLOL-HXUWFJFHSA-N 0 0 454.558 4.805 20 0 JJADRN CC(C)(C)C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1(C)C ZINC001463857088 1068548718 /nfs/dbraw/zinc/54/87/18/1068548718.db2.gz KOLJBSXUOXOFPY-SFTDATJTSA-N 0 0 450.645 4.654 20 0 JJADRN CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(F)(F)F)CC2)cc1 ZINC001463858317 1068549285 /nfs/dbraw/zinc/54/92/85/1068549285.db2.gz GHIZQUHZQLVWPH-UHFFFAOYSA-N 0 0 456.512 4.983 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)N2CCC(Cc3cccc(F)c3F)CC2)cc1N ZINC001463864830 1068550338 /nfs/dbraw/zinc/55/03/38/1068550338.db2.gz BYWHLWVQURDRRY-UHFFFAOYSA-N 0 0 455.546 4.540 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463864737 1068550413 /nfs/dbraw/zinc/55/04/13/1068550413.db2.gz AREYIKXYOPXMLP-APWZRJJASA-N 0 0 451.972 4.530 20 0 JJADRN CO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)N(C)CC(C)C)C1 ZINC001463863822 1068550498 /nfs/dbraw/zinc/55/04/98/1068550498.db2.gz BHBYMZUERHYSQK-XHCCPWGMSA-N 0 0 450.579 4.529 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001463867341 1068550782 /nfs/dbraw/zinc/55/07/82/1068550782.db2.gz MNGWOWQJGLPVMY-UHFFFAOYSA-N 0 0 459.514 4.548 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001463865821 1068550797 /nfs/dbraw/zinc/55/07/97/1068550797.db2.gz XSQQNEXIFIKXOD-UHFFFAOYSA-N 0 0 457.393 4.841 20 0 JJADRN CCOCCN(c1ccc(Cl)cc1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC001463870767 1068551372 /nfs/dbraw/zinc/55/13/72/1068551372.db2.gz FBRAEPQUPJMYLM-UHFFFAOYSA-N 0 0 454.379 4.719 20 0 JJADRN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC001463868477 1068551453 /nfs/dbraw/zinc/55/14/53/1068551453.db2.gz FBZOJSWGNQCINC-UHFFFAOYSA-N 0 0 457.983 4.763 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001463871465 1068551999 /nfs/dbraw/zinc/55/19/99/1068551999.db2.gz IMMQXTUOWBAUNO-FHLIZLRMSA-N 0 0 450.988 4.558 20 0 JJADRN COc1ccc([C@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2sc(C)cc2C)cc1 ZINC001463872892 1068552527 /nfs/dbraw/zinc/55/25/27/1068552527.db2.gz PZJXMZGPUFSWOL-FDDCHVKYSA-N 0 0 459.633 4.729 20 0 JJADRN COc1ccc([C@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC001463874244 1068553089 /nfs/dbraw/zinc/55/30/89/1068553089.db2.gz WMORGNLPCLYWBT-GAJHUEQPSA-N 0 0 459.633 4.729 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC001463875666 1068553357 /nfs/dbraw/zinc/55/33/57/1068553357.db2.gz VSZBUDWOXXBOQY-UHFFFAOYSA-N 0 0 459.502 4.508 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)c2c[nH]nc2I)c2cccs2)cc1 ZINC001463876792 1068553532 /nfs/dbraw/zinc/55/35/32/1068553532.db2.gz QXGIGLKCXNVAAG-INIZCTEOSA-N 0 0 451.333 4.719 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)C1(CO)CCCCC1)c1ccc2nc(Cl)sc2c1 ZINC001463879347 1068553954 /nfs/dbraw/zinc/55/39/54/1068553954.db2.gz FJUAMWGRTZSYJA-IBGZPJMESA-N 0 0 451.013 4.912 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463881980 1068554645 /nfs/dbraw/zinc/55/46/45/1068554645.db2.gz HAWDBFCTGQRCIT-VGOFRKELSA-N 0 0 458.965 4.801 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl ZINC001463887902 1068556184 /nfs/dbraw/zinc/55/61/84/1068556184.db2.gz OSXZLSMISXHCFU-JOCHJYFZSA-N 0 0 451.910 4.504 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccn2c(I)cnc12)c1ccc(Cl)cc1 ZINC001463890911 1068556581 /nfs/dbraw/zinc/55/65/81/1068556581.db2.gz QWEGAXDJWPGELH-INIZCTEOSA-N 0 0 453.711 4.719 20 0 JJADRN COc1ccc(-c2nc(CN3CCN(C(=O)/C(C)=C/c4ccc(F)cc4)CC3)cs2)cc1 ZINC001463895023 1068558216 /nfs/dbraw/zinc/55/82/16/1068558216.db2.gz CQSKEPOMXIWVNH-OBGWFSINSA-N 0 0 451.567 4.706 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC001463901404 1068560548 /nfs/dbraw/zinc/56/05/48/1068560548.db2.gz XQAGWMOVTSEVJM-UHFFFAOYSA-N 0 0 450.604 4.506 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001463902170 1068560564 /nfs/dbraw/zinc/56/05/64/1068560564.db2.gz FPNFMRBXIUFQRE-KRWDZBQOSA-N 0 0 450.149 4.821 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001463907920 1068561167 /nfs/dbraw/zinc/56/11/67/1068561167.db2.gz NAURFGCTGAGUSV-OAHLLOKOSA-N 0 0 452.910 4.571 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001463907764 1068561614 /nfs/dbraw/zinc/56/16/14/1068561614.db2.gz MLDRZGAUHONJBJ-OALUTQOASA-N 0 0 453.645 4.977 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)c1nccn1C ZINC001463908487 1068561706 /nfs/dbraw/zinc/56/17/06/1068561706.db2.gz IRUUHLDVRHYFRY-XYSGSMRZSA-N 0 0 451.395 4.803 20 0 JJADRN COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)cc1 ZINC001463907006 1068561754 /nfs/dbraw/zinc/56/17/54/1068561754.db2.gz WPFLFIQIIQXVTC-UHFFFAOYSA-N 0 0 451.386 4.801 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1-c1nc2ccccc2s1 ZINC001463908889 1068562227 /nfs/dbraw/zinc/56/22/27/1068562227.db2.gz YWPWUHWDBXIEMU-UHFFFAOYSA-N 0 0 456.321 4.687 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2 ZINC001463917028 1068565007 /nfs/dbraw/zinc/56/50/07/1068565007.db2.gz UNBQRULONGSFAR-UHFFFAOYSA-N 0 0 454.958 4.657 20 0 JJADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC001463916770 1068565032 /nfs/dbraw/zinc/56/50/32/1068565032.db2.gz QQGZWASPMWIZEG-UHFFFAOYSA-N 0 0 458.502 4.681 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 ZINC001463919194 1068565653 /nfs/dbraw/zinc/56/56/53/1068565653.db2.gz ZVWKTFURIXTSEP-UHFFFAOYSA-N 0 0 452.436 4.844 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Br)N1CCc2c1cccc2Br ZINC001463921021 1068566052 /nfs/dbraw/zinc/56/60/52/1068566052.db2.gz SBAZFWOCXWISJD-UHFFFAOYSA-N 0 0 451.567 4.616 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)N2CCOCC2)cc1OC ZINC001463923218 1068566515 /nfs/dbraw/zinc/56/65/15/1068566515.db2.gz DRXJAKLUYGPZQI-HYBUGGRVSA-N 0 0 454.611 4.511 20 0 JJADRN C[C@H](COC1CCCC1)CS(=O)(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001463925605 1068567098 /nfs/dbraw/zinc/56/70/98/1068567098.db2.gz DIIXLETWKNHELE-XLIONFOSSA-N 0 0 458.462 4.771 20 0 JJADRN O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463924976 1068567283 /nfs/dbraw/zinc/56/72/83/1068567283.db2.gz MCNCJMWYMDTOPH-MSOLQXFVSA-N 0 0 455.462 4.955 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142755 1068568221 /nfs/dbraw/zinc/56/82/21/1068568221.db2.gz QHSDQHZUYGXSSV-PWRODBHTSA-N 0 0 475.678 4.882 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2S(=O)(=O)Cc1ccc(Br)cc1F ZINC001463930448 1068568495 /nfs/dbraw/zinc/56/84/95/1068568495.db2.gz OLWKQYXRYJVXNP-MRXNPFEDSA-N 0 0 456.377 4.762 20 0 JJADRN O=C(Nc1ccccc1S(=O)(=O)Oc1cccc(OCc2ccccc2)c1)C(F)(F)F ZINC001463932177 1068569249 /nfs/dbraw/zinc/56/92/49/1068569249.db2.gz MYRADXDCKBHPMQ-UHFFFAOYSA-N 0 0 451.422 4.534 20 0 JJADRN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 ZINC001463934550 1068570167 /nfs/dbraw/zinc/57/01/67/1068570167.db2.gz GTKJKDLKJGRVGJ-AWEZNQCLSA-N 0 0 452.736 4.655 20 0 JJADRN CCc1cc(Br)cc2c1N(S(=O)(=O)c1ccc3onc(Cl)c3c1)CCC2 ZINC001463934426 1068570225 /nfs/dbraw/zinc/57/02/25/1068570225.db2.gz WYHKQHBALFWXFC-UHFFFAOYSA-N 0 0 455.761 4.948 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001463952249 1068573220 /nfs/dbraw/zinc/57/32/20/1068573220.db2.gz PLIYKYAIHGSYOW-RKUWFUAISA-N 0 0 460.905 4.861 20 0 JJADRN Cc1ccccc1C1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001463952146 1068573241 /nfs/dbraw/zinc/57/32/41/1068573241.db2.gz XEIXOHCBIBSQKU-UHFFFAOYSA-N 0 0 450.276 4.624 20 0 JJADRN O=C(CCCC(=O)c1ccccc1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC001463953232 1068573631 /nfs/dbraw/zinc/57/36/31/1068573631.db2.gz RQXKGWLMRTWCCL-HKWRFOASSA-N 0 0 456.951 4.546 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC(F)(F)F)CCOCC1 ZINC001546142960 1068574722 /nfs/dbraw/zinc/57/47/22/1068574722.db2.gz VSZDSWDFGXJUGK-UHFFFAOYSA-N 0 0 489.583 4.598 20 0 JJADRN O=S(=O)(NCc1ccc(COc2cccc(F)c2)cc1)c1cccc(Br)c1 ZINC001463960068 1068575888 /nfs/dbraw/zinc/57/58/88/1068575888.db2.gz MXDQJBWMIUYJJB-UHFFFAOYSA-N 0 0 450.329 4.646 20 0 JJADRN O=S(=O)(NCc1ccc(COc2ccc(F)cc2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC001463964566 1068576326 /nfs/dbraw/zinc/57/63/26/1068576326.db2.gz ZJGHKMPTHFZTOH-UHFFFAOYSA-N 0 0 455.429 4.624 20 0 JJADRN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)c(N)c1F ZINC001463966049 1068577229 /nfs/dbraw/zinc/57/72/29/1068577229.db2.gz OHPUOEKKMMYOQS-FQEVSTJZSA-N 0 0 458.415 4.831 20 0 JJADRN CC(C)n1cccc1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001463968833 1068577835 /nfs/dbraw/zinc/57/78/35/1068577835.db2.gz CVQPHNJRHDQCLN-WJDWOHSUSA-N 0 0 452.363 4.842 20 0 JJADRN O=C(C=C(C1CC1)C1CC1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001463972330 1068578556 /nfs/dbraw/zinc/57/85/56/1068578556.db2.gz WRVUWASACCZHJC-GIJQJNRQSA-N 0 0 451.375 4.892 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1Br ZINC001463971407 1068578664 /nfs/dbraw/zinc/57/86/64/1068578664.db2.gz QNQOHBABNXHRSN-LEWSCRJBSA-N 0 0 480.490 4.798 20 0 JJADRN Cc1ccc(-c2c[nH]cc2C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)s1 ZINC001463971617 1068578740 /nfs/dbraw/zinc/57/87/40/1068578740.db2.gz SIWTZFUBRPHMFA-GRSHGNNSSA-N 0 0 455.536 4.657 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Sc2ccccc2)n1 ZINC001463972472 1068578782 /nfs/dbraw/zinc/57/87/82/1068578782.db2.gz BYZQRNXVHZBJGD-UHFFFAOYSA-N 0 0 451.979 4.793 20 0 JJADRN O=C(Nc1ccc2[nH]ccc2c1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001463981209 1068580807 /nfs/dbraw/zinc/58/08/07/1068580807.db2.gz WYQDFTHXJJUKPI-UHFFFAOYSA-N 0 0 452.363 4.514 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC001546143162 1068580917 /nfs/dbraw/zinc/58/09/17/1068580917.db2.gz ZSEUCNDWDJJQCU-BGYRXZFFSA-N 0 0 475.678 4.977 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463979912 1068580944 /nfs/dbraw/zinc/58/09/44/1068580944.db2.gz UDVZJWGMFNTGCS-UHFFFAOYSA-N 0 0 452.267 4.716 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001463980838 1068580979 /nfs/dbraw/zinc/58/09/79/1068580979.db2.gz ZRLOPZJFOGOCAB-UHFFFAOYSA-N 0 0 454.633 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C(C)(C)C1 ZINC001463989349 1068581751 /nfs/dbraw/zinc/58/17/51/1068581751.db2.gz PHXGEXNXWHXRSY-GOSISDBHSA-N 0 0 456.612 4.537 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001463989850 1068582379 /nfs/dbraw/zinc/58/23/79/1068582379.db2.gz CRAMJOPICUZQEK-UHFFFAOYSA-N 0 0 451.394 4.678 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC001463991216 1068582454 /nfs/dbraw/zinc/58/24/54/1068582454.db2.gz GQKOEVGZYGBVHT-IBGZPJMESA-N 0 0 452.938 4.616 20 0 JJADRN COc1cc(CNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC001463994835 1068583811 /nfs/dbraw/zinc/58/38/11/1068583811.db2.gz KQKZCJZGZYEASR-OAQYLSRUSA-N 0 0 459.464 4.513 20 0 JJADRN Cc1nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c(-c2ccccc2)s1 ZINC001463998440 1068584132 /nfs/dbraw/zinc/58/41/32/1068584132.db2.gz DSXYHDAWAXTTMN-OTWHNJEPSA-N 0 0 455.649 4.791 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1C ZINC001464004259 1068585993 /nfs/dbraw/zinc/58/59/93/1068585993.db2.gz DWFOBPFULYERKZ-MRXNPFEDSA-N 0 0 457.423 4.888 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC001464003905 1068586079 /nfs/dbraw/zinc/58/60/79/1068586079.db2.gz AJXNMGFRYWADJK-PMERPWLBSA-N 0 0 460.405 4.740 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001464004543 1068586127 /nfs/dbraw/zinc/58/61/27/1068586127.db2.gz XFFZAODFRCRASH-SWLSCSKDSA-N 0 0 459.033 4.929 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001464006351 1068586541 /nfs/dbraw/zinc/58/65/41/1068586541.db2.gz KRIOWCMYHAPEQH-UHFFFAOYSA-N 0 0 456.505 4.971 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001464005979 1068586628 /nfs/dbraw/zinc/58/66/28/1068586628.db2.gz GKZIQGMQYITOIC-OAQYLSRUSA-N 0 0 457.514 4.592 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006813 1068587077 /nfs/dbraw/zinc/58/70/77/1068587077.db2.gz VLYILQXSHXYZMD-OTWHNJEPSA-N 0 0 458.027 4.869 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3CNC(=O)Nc3ccccc3)s2)cc1 ZINC001464007521 1068587112 /nfs/dbraw/zinc/58/71/12/1068587112.db2.gz NJUAEKQBVZMRGS-LJQANCHMSA-N 0 0 450.564 4.635 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001464009568 1068587638 /nfs/dbraw/zinc/58/76/38/1068587638.db2.gz YZNMAKNNICWFMA-HXUWFJFHSA-N 0 0 451.958 4.557 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001464007983 1068587692 /nfs/dbraw/zinc/58/76/92/1068587692.db2.gz PIPDQZHQSOHNKL-OAQYLSRUSA-N 0 0 451.958 4.651 20 0 JJADRN COC(=O)c1n[nH]c2ccc(NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)cc21 ZINC001464011596 1068588238 /nfs/dbraw/zinc/58/82/38/1068588238.db2.gz JFLZCJOXUGJAFA-UHFFFAOYSA-N 0 0 455.396 4.759 20 0 JJADRN CC1(C)C[C@H](NS(=O)(=O)c2oc3ccccc3c2Br)c2cc(F)ccc2O1 ZINC001464013535 1068588727 /nfs/dbraw/zinc/58/87/27/1068588727.db2.gz HHWMOEPPYOEPJD-AWEZNQCLSA-N 0 0 454.317 4.915 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001464012635 1068588788 /nfs/dbraw/zinc/58/87/88/1068588788.db2.gz CEKMZYBQDIDYFL-SEYXRHQNSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001464014232 1068589434 /nfs/dbraw/zinc/58/94/34/1068589434.db2.gz HPJHGOYNFQQHBG-SFHVURJKSA-N 0 0 450.988 4.765 20 0 JJADRN Nc1c(Br)cccc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001546143666 1068591205 /nfs/dbraw/zinc/59/12/05/1068591205.db2.gz QSURSNVCGGCWGB-UHFFFAOYSA-N 0 0 457.199 4.733 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NS(=O)(=O)C[C@H]2COc3ccccc3O2)cc1)c1ccccc1 ZINC001464027129 1068592202 /nfs/dbraw/zinc/59/22/02/1068592202.db2.gz JGODTQNEYBCCGP-YCRNBWNJSA-N 0 0 453.560 4.647 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@H]1COc2ccccc2O1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464027125 1068592227 /nfs/dbraw/zinc/59/22/27/1068592227.db2.gz JGODTQNEYBCCGP-SFYKDHMMSA-N 0 0 453.560 4.647 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001464025894 1068592430 /nfs/dbraw/zinc/59/24/30/1068592430.db2.gz IIYPUMGLMSOFPV-WHOFXGATSA-N 0 0 452.420 4.653 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)CCn3ccc4cc(Cl)ccc43)c2)c1C ZINC001464026873 1068592441 /nfs/dbraw/zinc/59/24/41/1068592441.db2.gz FOIHIGYMMHSEOT-UHFFFAOYSA-N 0 0 450.926 4.994 20 0 JJADRN O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001464031557 1068594004 /nfs/dbraw/zinc/59/40/04/1068594004.db2.gz MSSRUDFDZZJDDK-IBGZPJMESA-N 0 0 454.979 4.991 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001464031820 1068594123 /nfs/dbraw/zinc/59/41/23/1068594123.db2.gz GTFZIRYMBQXCTJ-VXKWHMMOSA-N 0 0 457.615 4.905 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001464032084 1068594575 /nfs/dbraw/zinc/59/45/75/1068594575.db2.gz LKHMHOBPFCLFKU-XMMPIXPASA-N 0 0 456.612 4.682 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](c2ccccc2F)C(C)C)cc1Cl ZINC001464034648 1068595070 /nfs/dbraw/zinc/59/50/70/1068595070.db2.gz CQGBKIXZFRFAMH-SFHVURJKSA-N 0 0 450.359 4.833 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](c2ccccc2F)C(C)C)cc1Cl ZINC001464034643 1068595179 /nfs/dbraw/zinc/59/51/79/1068595179.db2.gz CQGBKIXZFRFAMH-GOSISDBHSA-N 0 0 450.359 4.833 20 0 JJADRN CC(C)(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC001464037343 1068595726 /nfs/dbraw/zinc/59/57/26/1068595726.db2.gz RLIGPIWRMXKXIP-UHFFFAOYSA-N 0 0 450.866 4.526 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1cccc(-c2nnco2)c1)NC(=O)OC(C)(C)C ZINC001464040067 1068596754 /nfs/dbraw/zinc/59/67/54/1068596754.db2.gz YNHLTTLSGDZTOY-LJQANCHMSA-N 0 0 452.511 4.730 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC001464041814 1068597592 /nfs/dbraw/zinc/59/75/92/1068597592.db2.gz ACAZIVOXEFYDKJ-LJQANCHMSA-N 0 0 457.785 4.605 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC001464044914 1068598487 /nfs/dbraw/zinc/59/84/87/1068598487.db2.gz OESSAGBZJBNPDZ-QHCPKHFHSA-N 0 0 457.014 4.827 20 0 JJADRN CCN(Cc1ccc(OC)cc1OC)C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001464046524 1068599011 /nfs/dbraw/zinc/59/90/11/1068599011.db2.gz IEJSMQGCHDVFJP-UHFFFAOYSA-N 0 0 458.555 4.503 20 0 JJADRN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1nscc1I ZINC001464047102 1068599063 /nfs/dbraw/zinc/59/90/63/1068599063.db2.gz VKVWISWKIZEALI-UHFFFAOYSA-N 0 0 454.264 4.718 20 0 JJADRN C[C@@](O)(C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1)c1ccc(F)cc1 ZINC001464046947 1068599217 /nfs/dbraw/zinc/59/92/17/1068599217.db2.gz LNADYUYWGGZKRA-DEOSSOPVSA-N 0 0 458.986 4.760 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](CCSC)NC(=O)Cc1ccccc1 ZINC001464048015 1068599707 /nfs/dbraw/zinc/59/97/07/1068599707.db2.gz VDNWRVSXNCIVTB-FQEVSTJZSA-N 0 0 452.542 4.535 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NS(=O)(=O)CCCC(C)(C)C)cc1 ZINC001464050598 1068600486 /nfs/dbraw/zinc/60/04/86/1068600486.db2.gz NJIUDEKZGXWWPS-SFTDATJTSA-N 0 0 468.660 4.534 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccccc2Cl)c(F)cc1C ZINC001464049930 1068600514 /nfs/dbraw/zinc/60/05/14/1068600514.db2.gz AONNKUNFWUHEEY-JOCHJYFZSA-N 0 0 453.963 4.750 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1c(Cl)cccc1Cl ZINC001464049479 1068600565 /nfs/dbraw/zinc/60/05/65/1068600565.db2.gz NRSKDOBRJJNYNJ-UHFFFAOYSA-N 0 0 450.343 4.734 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001464052267 1068601091 /nfs/dbraw/zinc/60/10/91/1068601091.db2.gz AJDRTYSEPZAZTI-CQSZACIVSA-N 0 0 450.757 4.550 20 0 JJADRN O=S(=O)(NC1(c2ccc(Br)cc2)CCCCC1)c1cccc2c1OCCC2 ZINC001464057416 1068601781 /nfs/dbraw/zinc/60/17/81/1068601781.db2.gz IHZSAIFXSFIJII-UHFFFAOYSA-N 0 0 450.398 4.912 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCCCC2)cc1 ZINC001464059008 1068602411 /nfs/dbraw/zinc/60/24/11/1068602411.db2.gz OHEJXXHBWOLZIR-UHFFFAOYSA-N 0 0 451.386 4.545 20 0 JJADRN O=C(NCCOc1ccc2ccccc2c1)c1cc(Br)ncc1Br ZINC001464065352 1068603646 /nfs/dbraw/zinc/60/36/46/1068603646.db2.gz ITIAWCLNRWAKQQ-UHFFFAOYSA-N 0 0 450.130 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C[C@@H]1[C@H]1CCCO1 ZINC001464069323 1068605035 /nfs/dbraw/zinc/60/50/35/1068605035.db2.gz ZOIZBGVCRRHRCP-VLCRHTCISA-N 0 0 458.555 4.596 20 0 JJADRN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c1O ZINC001464075361 1068606377 /nfs/dbraw/zinc/60/63/77/1068606377.db2.gz XGSDSHOMRQAOBQ-XMMPIXPASA-N 0 0 456.542 4.666 20 0 JJADRN CC[C@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1ccccc1OC(F)F ZINC001464076469 1068607104 /nfs/dbraw/zinc/60/71/04/1068607104.db2.gz BDTJUVWINFZQTE-AWEZNQCLSA-N 0 0 455.527 4.693 20 0 JJADRN COc1ccc(C(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccc(OC)cc2)cc1 ZINC001464080807 1068608502 /nfs/dbraw/zinc/60/85/02/1068608502.db2.gz YNWIEVFDYBOFCN-SFHVURJKSA-N 0 0 454.567 4.557 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@](C)(OC)C2)CCCC1 ZINC001546144251 1068609222 /nfs/dbraw/zinc/60/92/22/1068609222.db2.gz HFTHMSWYBDSHLD-NLFFAJNJSA-N 0 0 491.677 4.562 20 0 JJADRN CN(Cc1cccc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C ZINC001464089179 1068610822 /nfs/dbraw/zinc/61/08/22/1068610822.db2.gz SFXDEPFLFASBMS-CJAUYULYSA-N 0 0 459.587 4.782 20 0 JJADRN COc1ccccc1-c1nn(C)cc1C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC001464089182 1068610828 /nfs/dbraw/zinc/61/08/28/1068610828.db2.gz SGNGVMZIBIDOIM-UHFFFAOYSA-N 0 0 450.539 4.715 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(C)c(C=O)s3)c2)c1C(F)(F)F ZINC001464089107 1068610896 /nfs/dbraw/zinc/61/08/96/1068610896.db2.gz QYKMJKWMSZVUEJ-UHFFFAOYSA-N 0 0 451.426 4.503 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)c1)C(=O)OC(C)(C)C ZINC001464089796 1068610943 /nfs/dbraw/zinc/61/09/43/1068610943.db2.gz UUVADBJTDQXSPM-LJQANCHMSA-N 0 0 455.580 4.650 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001464090974 1068611559 /nfs/dbraw/zinc/61/15/59/1068611559.db2.gz OZDKIAISJLZVPI-LJQANCHMSA-N 0 0 457.926 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2cccc3ccccc32)C1 ZINC001464092633 1068612141 /nfs/dbraw/zinc/61/21/41/1068612141.db2.gz MTTKXSAVYGDQLM-FCHUYYIVSA-N 0 0 452.576 4.521 20 0 JJADRN NC(=O)c1cc(S(=O)(=O)Oc2cccc(C3CCCCC3)c2)c(F)cc1Br ZINC001464093827 1068612746 /nfs/dbraw/zinc/61/27/46/1068612746.db2.gz YFRCXABBZZMGAV-UHFFFAOYSA-N 0 0 456.333 4.503 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001464096180 1068613370 /nfs/dbraw/zinc/61/33/70/1068613370.db2.gz KEXAUZHYBIESNB-IBGZPJMESA-N 0 0 450.362 4.816 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001464100055 1068615493 /nfs/dbraw/zinc/61/54/93/1068615493.db2.gz YDFUKWBOYVTUJT-MRXNPFEDSA-N 0 0 457.155 4.581 20 0 JJADRN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccccc1SC1CCCC1 ZINC001464100278 1068615517 /nfs/dbraw/zinc/61/55/17/1068615517.db2.gz IICMEYIOYBUSSK-UHFFFAOYSA-N 0 0 458.527 4.657 20 0 JJADRN Cc1ccc(Br)cc1CNS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464101910 1068616176 /nfs/dbraw/zinc/61/61/76/1068616176.db2.gz KLBJJSRMUWTXIM-UHFFFAOYSA-N 0 0 450.320 4.829 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001464105664 1068617356 /nfs/dbraw/zinc/61/73/56/1068617356.db2.gz GVFUZJKFWMAIIG-CRAIPNDOSA-N 0 0 475.449 4.543 20 0 JJADRN O=S(=O)(N[C@@H]1CCCSc2ccc(Br)cc21)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001464106376 1068617393 /nfs/dbraw/zinc/61/73/93/1068617393.db2.gz GTODWRDSVVDXEA-SZVBFZGTSA-N 0 0 456.402 4.991 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3Cc3cnn(C)c3)cc2)cc1 ZINC001464105524 1068617526 /nfs/dbraw/zinc/61/75/26/1068617526.db2.gz FWZPQRLVNVKYEE-FDDCHVKYSA-N 0 0 457.621 4.624 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3Cc3cnn(C)c3)cc2)cc1 ZINC001464105525 1068617561 /nfs/dbraw/zinc/61/75/61/1068617561.db2.gz FWZPQRLVNVKYEE-JPYJTQIMSA-N 0 0 457.621 4.624 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)cc1OCC ZINC001464112076 1068618744 /nfs/dbraw/zinc/61/87/44/1068618744.db2.gz NJALZPCZPGMLPF-KRWDZBQOSA-N 0 0 450.539 4.831 20 0 JJADRN Cc1cc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c(C=O)cc1Cl 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ZINC001546146030 1068701810 /nfs/dbraw/zinc/70/18/10/1068701810.db2.gz BYMRWELOMQWJLR-SFHVURJKSA-N 0 0 473.612 4.859 20 0 JJADRN CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)CC1 ZINC001464315964 1068702047 /nfs/dbraw/zinc/70/20/47/1068702047.db2.gz BONREPYPNMMFPO-UHFFFAOYSA-N 0 0 450.583 4.796 20 0 JJADRN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001464315535 1068702228 /nfs/dbraw/zinc/70/22/28/1068702228.db2.gz KYEIJWROXKHJCM-APWZRJJASA-N 0 0 450.505 4.616 20 0 JJADRN O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001464317082 1068702683 /nfs/dbraw/zinc/70/26/83/1068702683.db2.gz HEUKRPPLFFNCDG-WOJBJXKFSA-N 0 0 456.384 4.605 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2cccc(C3CCCC3)c2)C1 ZINC001464316226 1068702781 /nfs/dbraw/zinc/70/27/81/1068702781.db2.gz FKFJQKSALOBRLK-LJQANCHMSA-N 0 0 456.384 4.993 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccc(Br)c3)cc2C1=O ZINC001464317589 1068703207 /nfs/dbraw/zinc/70/32/07/1068703207.db2.gz KYUPHGGSGLSYHW-HXUWFJFHSA-N 0 0 455.352 4.823 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)cc1Cl ZINC001464320441 1068704582 /nfs/dbraw/zinc/70/45/82/1068704582.db2.gz MGZSHIFUONSLSR-MRXNPFEDSA-N 0 0 450.988 4.541 20 0 JJADRN COc1cc(N)c(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1Br ZINC001464323664 1068705621 /nfs/dbraw/zinc/70/56/21/1068705621.db2.gz WHNGFVKFDQSIKU-UHFFFAOYSA-N 0 0 454.296 4.778 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC001464322497 1068705791 /nfs/dbraw/zinc/70/57/91/1068705791.db2.gz SHMZBWHWYGKXBG-OAHLLOKOSA-N 0 0 454.889 4.552 20 0 JJADRN CN(C(=O)Cc1ccc(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)cc1)c1ccccc1 ZINC001464322766 1068705801 /nfs/dbraw/zinc/70/58/01/1068705801.db2.gz MQUIIRSARRHHFQ-UHFFFAOYSA-N 0 0 452.436 4.811 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1Cl)C1CCCCC1 ZINC001464326546 1068706764 /nfs/dbraw/zinc/70/67/64/1068706764.db2.gz IVMTWJDZERCQPQ-OAHLLOKOSA-N 0 0 456.197 4.804 20 0 JJADRN C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1cccc(OCc2ccccn2)c1 ZINC001464325574 1068706818 /nfs/dbraw/zinc/70/68/18/1068706818.db2.gz CQKDFUCVCZSSJS-CQSZACIVSA-N 0 0 451.324 4.790 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H](C)OCc2ccncc2)ccc1Cl ZINC001464327180 1068707286 /nfs/dbraw/zinc/70/72/86/1068707286.db2.gz KCDOCQBCEUNWSP-SFHVURJKSA-N 0 0 451.954 4.941 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001464333502 1068709669 /nfs/dbraw/zinc/70/96/69/1068709669.db2.gz KJSPTKAGELPGOV-UHFFFAOYSA-N 0 0 450.514 4.777 20 0 JJADRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCC(=O)c3ccc(Cl)cn3)c2)c1 ZINC001464334646 1068710302 /nfs/dbraw/zinc/71/03/02/1068710302.db2.gz SDZPUDXFMUEVSC-UHFFFAOYSA-N 0 0 450.926 4.967 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC001464337592 1068711189 /nfs/dbraw/zinc/71/11/89/1068711189.db2.gz RQPQQGYUUZSUFL-XMMPIXPASA-N 0 0 450.966 4.609 20 0 JJADRN CC[C@H]1CCc2nc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)sc2C1 ZINC001464338176 1068711788 /nfs/dbraw/zinc/71/17/88/1068711788.db2.gz QWECTCLHZOPMAV-AWEZNQCLSA-N 0 0 452.605 4.697 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccccc1OC ZINC001464339486 1068712529 /nfs/dbraw/zinc/71/25/29/1068712529.db2.gz GYPLDXWZIGIAEJ-HNNXBMFYSA-N 0 0 452.292 4.906 20 0 JJADRN Cc1n[nH]c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1I ZINC001464341298 1068712866 /nfs/dbraw/zinc/71/28/66/1068712866.db2.gz YDOLGBXSQPFPAQ-UHFFFAOYSA-N 0 0 452.123 4.680 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1cccc(Br)c1 ZINC001464341435 1068712972 /nfs/dbraw/zinc/71/29/72/1068712972.db2.gz JJJXDYDHHVZPLN-GOSISDBHSA-N 0 0 456.402 4.556 20 0 JJADRN CCC1(Cn2c(CC(C)C)nnc2N2CCCN(c3cc(OC)cc(OC)c3)CC2)CCC1 ZINC001546146286 1068713430 /nfs/dbraw/zinc/71/34/30/1068713430.db2.gz LTPXXHKYVHLYSB-UHFFFAOYSA-N 0 0 455.647 4.791 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c(F)c1F ZINC001464346642 1068714073 /nfs/dbraw/zinc/71/40/73/1068714073.db2.gz DKQHBKMWSYLBHB-IBGZPJMESA-N 0 0 452.523 4.827 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(F)cc1Cl ZINC001464344321 1068714149 /nfs/dbraw/zinc/71/41/49/1068714149.db2.gz IHSPWYPNKNIUQC-VQIMIIECSA-N 0 0 453.963 4.907 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1C ZINC001464349299 1068715171 /nfs/dbraw/zinc/71/51/71/1068715171.db2.gz JVJBMEPFUJGXFX-UHFFFAOYSA-N 0 0 458.486 4.518 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1nccn2c(Br)cnc12 ZINC001464349456 1068715183 /nfs/dbraw/zinc/71/51/83/1068715183.db2.gz WSMBSCRETYLDBQ-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 ZINC001464353256 1068716807 /nfs/dbraw/zinc/71/68/07/1068716807.db2.gz ZQVVCDZVFXPTGB-OAQYLSRUSA-N 0 0 456.587 4.616 20 0 JJADRN O=C(c1ccsc1)N1CCCN(C(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 ZINC001464354234 1068717292 /nfs/dbraw/zinc/71/72/92/1068717292.db2.gz XXODMJGQYMGDNP-UHFFFAOYSA-N 0 0 456.514 4.594 20 0 JJADRN COc1c(F)cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F ZINC001464358218 1068718413 /nfs/dbraw/zinc/71/84/13/1068718413.db2.gz MFTDLPKVNVQART-CQSZACIVSA-N 0 0 452.457 4.839 20 0 JJADRN CC[C@@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccc2c(c1)OCCO2 ZINC001464360332 1068718947 /nfs/dbraw/zinc/71/89/47/1068718947.db2.gz KUMRQOJLSDSDLT-QGZVFWFLSA-N 0 0 458.580 4.694 20 0 JJADRN C[C@@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001464362048 1068719487 /nfs/dbraw/zinc/71/94/87/1068719487.db2.gz WXWZBYXMPAHQNA-MRXNPFEDSA-N 0 0 456.477 4.523 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)c3cccc(C)c3)cc2)cc1OC ZINC001464363856 1068720104 /nfs/dbraw/zinc/72/01/04/1068720104.db2.gz XGNQOTGGELUWMJ-KRWDZBQOSA-N 0 0 454.548 4.555 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC001464363250 1068720142 /nfs/dbraw/zinc/72/01/42/1068720142.db2.gz ZRTBILSGHOIQFN-UHFFFAOYSA-N 0 0 455.824 4.676 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccncc3)ccc2C)cc1 ZINC001464368586 1068720550 /nfs/dbraw/zinc/72/05/50/1068720550.db2.gz HUEWFLHIIOZUAO-UHFFFAOYSA-N 0 0 451.592 4.506 20 0 JJADRN CC1(C)Cc2nc(NC(=O)c3cnn(Cc4ccccc4)c3Br)sc2C(=O)C1 ZINC001464369040 1068721016 /nfs/dbraw/zinc/72/10/16/1068721016.db2.gz HEOUKRGOLXAUEY-UHFFFAOYSA-N 0 0 459.369 4.558 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cc(F)ccc3OC)CC2)CCOCC1 ZINC001546146486 1068721699 /nfs/dbraw/zinc/72/16/99/1068721699.db2.gz SMUINPNPLFNQFJ-UHFFFAOYSA-N 0 0 487.664 4.543 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001464371367 1068721760 /nfs/dbraw/zinc/72/17/60/1068721760.db2.gz HWDNALSASAEGKO-XMMPIXPASA-N 0 0 454.933 4.844 20 0 JJADRN O=C(Cc1coc2cc(Cl)ccc12)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001464373301 1068721812 /nfs/dbraw/zinc/72/18/12/1068721812.db2.gz KRXKMHZTJMRZOP-UHFFFAOYSA-N 0 0 451.737 4.920 20 0 JJADRN C[C@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)c1nnc2n1CCC2 ZINC001464373462 1068722405 /nfs/dbraw/zinc/72/24/05/1068722405.db2.gz LFAIUDIZEFNZHP-NSHDSACASA-N 0 0 450.395 4.810 20 0 JJADRN Cc1cccc(OC[C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC001464373939 1068722536 /nfs/dbraw/zinc/72/25/36/1068722536.db2.gz OZNKCFFBFMPMDQ-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cccc(COc2ccccc2)c1 ZINC001464375812 1068723640 /nfs/dbraw/zinc/72/36/40/1068723640.db2.gz GVSQQTSMKASUBU-GCJKJVERSA-N 0 0 454.567 4.642 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)ccc1Cl ZINC001464379305 1068724591 /nfs/dbraw/zinc/72/45/91/1068724591.db2.gz VPHFAIZORBZNBT-AWEZNQCLSA-N 0 0 455.769 4.707 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1C(C)C ZINC001464379340 1068724616 /nfs/dbraw/zinc/72/46/16/1068724616.db2.gz FMJMMONCAUVQEK-SFHVURJKSA-N 0 0 454.633 4.667 20 0 JJADRN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001464379980 1068725256 /nfs/dbraw/zinc/72/52/56/1068725256.db2.gz WPDNZJUAZCTAEI-DENIHFKCSA-N 0 0 455.599 4.993 20 0 JJADRN Cc1cccc(OC[C@H](C)NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001464380046 1068725304 /nfs/dbraw/zinc/72/53/04/1068725304.db2.gz WPDNZJUAZCTAEI-UGKGYDQZSA-N 0 0 455.599 4.993 20 0 JJADRN CC1(C)Cc2nc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)sc2C(=O)C1 ZINC001464381898 1068726342 /nfs/dbraw/zinc/72/63/42/1068726342.db2.gz OYDXDFWKRFPHBF-HXUWFJFHSA-N 0 0 450.560 4.939 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001464384966 1068726837 /nfs/dbraw/zinc/72/68/37/1068726837.db2.gz PZNGUFDKXTVVLW-UHFFFAOYSA-N 0 0 454.564 4.728 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC1(c3cccc(Cl)c3)CCOCC1)O2 ZINC001464384543 1068726916 /nfs/dbraw/zinc/72/69/16/1068726916.db2.gz LKMLNFOUXVHSKY-RUZDIDTESA-N 0 0 457.998 4.919 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Nc3nc(CN4CCCCC4)cs3)CC2(Cl)Cl)cc1 ZINC001464388398 1068727711 /nfs/dbraw/zinc/72/77/11/1068727711.db2.gz 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KNIQZOLWIGULTK-UHFFFAOYSA-N 0 0 456.533 4.596 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCc1ccn(-c2ccccc2)n1 ZINC001464599811 1068795280 /nfs/dbraw/zinc/79/52/80/1068795280.db2.gz VWGPRLAXXIZUNO-UHFFFAOYSA-N 0 0 456.930 4.811 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC001464601717 1068795890 /nfs/dbraw/zinc/79/58/90/1068795890.db2.gz STFSSTJPOPAZGT-UHFFFAOYSA-N 0 0 453.340 4.994 20 0 JJADRN O=C(c1cc(OCc2ccccc2)ccn1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001464613932 1068799092 /nfs/dbraw/zinc/79/90/92/1068799092.db2.gz LRAASRWKYWCKIE-JOCHJYFZSA-N 0 0 453.336 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCCCCOCc2ccccc2)(c2ccccc2)C1 ZINC001464612718 1068799154 /nfs/dbraw/zinc/79/91/54/1068799154.db2.gz ZJNPZEAHJFCOHB-MHZLTWQESA-N 0 0 452.595 4.678 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464616101 1068800058 /nfs/dbraw/zinc/80/00/58/1068800058.db2.gz RMGSZVSVLKCQMQ-NRFANRHFSA-N 0 0 456.336 4.849 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCS[C@@H](C(C)C)C2)CCOCC1 ZINC001546148218 1068800084 /nfs/dbraw/zinc/80/00/84/1068800084.db2.gz JEBPJAVHPFLNAM-JOCHJYFZSA-N 0 0 458.672 4.662 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(C(F)F)c1 ZINC001464617514 1068800938 /nfs/dbraw/zinc/80/09/38/1068800938.db2.gz HJYNIZVCEQTCGQ-XMMPIXPASA-N 0 0 454.477 4.924 20 0 JJADRN O=S(=O)(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1cc(Cl)ccc1F ZINC001464619291 1068801545 /nfs/dbraw/zinc/80/15/45/1068801545.db2.gz HLMBRYQCLBDULP-UHFFFAOYSA-N 0 0 451.857 4.551 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCCC1 ZINC001546148241 1068801791 /nfs/dbraw/zinc/80/17/91/1068801791.db2.gz JQRZUNRIFDMONF-FQEVSTJZSA-N 0 0 455.622 4.672 20 0 JJADRN Cc1noc2ncc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc12 ZINC001464622431 1068802010 /nfs/dbraw/zinc/80/20/10/1068802010.db2.gz JGVAEAWDZSUVMB-UHFFFAOYSA-N 0 0 457.556 4.663 20 0 JJADRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)C1 ZINC001464625060 1068802714 /nfs/dbraw/zinc/80/27/14/1068802714.db2.gz GYGAIHGFVXJQMJ-PZJWPPBQSA-N 0 0 456.656 4.631 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)cc1 ZINC001464626502 1068803050 /nfs/dbraw/zinc/80/30/50/1068803050.db2.gz LTYYFQXLMDMTBE-XMMPIXPASA-N 0 0 450.645 4.928 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(S(=O)(=O)CCCc2ccccc2)C1 ZINC001464626193 1068803102 /nfs/dbraw/zinc/80/31/02/1068803102.db2.gz RKHLSPATUGIKRL-OAQYLSRUSA-N 0 0 458.624 4.543 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C)c(N2CCOCC2)c1 ZINC001464631082 1068804012 /nfs/dbraw/zinc/80/40/12/1068804012.db2.gz NVOWLKGJSFNDKN-FQEVSTJZSA-N 0 0 459.384 4.580 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cs1 ZINC001464632153 1068804146 /nfs/dbraw/zinc/80/41/46/1068804146.db2.gz ZZIPMKNVGRFYLU-HIFRSBDPSA-N 0 0 455.502 4.515 20 0 JJADRN Cc1cc(C)cc(CS(=O)(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001464629970 1068804316 /nfs/dbraw/zinc/80/43/16/1068804316.db2.gz ZINAWYBLYNXTIF-FQEVSTJZSA-N 0 0 458.624 4.727 20 0 JJADRN CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464632524 1068804806 /nfs/dbraw/zinc/80/48/06/1068804806.db2.gz SXBJYLGOVOUAIJ-VQTJNVASSA-N 0 0 451.449 4.809 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H](C)Cc1cnc2ccccc2n1 ZINC001464632509 1068805018 /nfs/dbraw/zinc/80/50/18/1068805018.db2.gz ULEKMIFIVBYEDB-VFNWGFHPSA-N 0 0 454.368 4.943 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)no3)c2)n1 ZINC001464635016 1068806097 /nfs/dbraw/zinc/80/60/97/1068806097.db2.gz AAGSRFROHBITJH-CQSZACIVSA-N 0 0 458.927 4.701 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001464638897 1068807456 /nfs/dbraw/zinc/80/74/56/1068807456.db2.gz MADMIGNJZPCWTO-QGZVFWFLSA-N 0 0 458.436 4.880 20 0 JJADRN O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001464638876 1068807587 /nfs/dbraw/zinc/80/75/87/1068807587.db2.gz SWQRXTVWPKUFDF-MSEWRSJXSA-N 0 0 458.400 4.637 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCCCC[C@H]1c1ccccc1 ZINC001464640972 1068808185 /nfs/dbraw/zinc/80/81/85/1068808185.db2.gz FKJQALBDTMDQST-QHCPKHFHSA-N 0 0 454.617 4.984 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC001464641909 1068808753 /nfs/dbraw/zinc/80/87/53/1068808753.db2.gz ZOVUISBNXAIVJM-UHFFFAOYSA-N 0 0 450.296 4.982 20 0 JJADRN Cc1ccccc1C[C@@H](C)NC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001464645244 1068809874 /nfs/dbraw/zinc/80/98/74/1068809874.db2.gz NWTJZGGTPPYIFC-OAHLLOKOSA-N 0 0 455.352 4.885 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1)CC1CC1 ZINC001464649160 1068811010 /nfs/dbraw/zinc/81/10/10/1068811010.db2.gz NUYPOZWZRBSLQW-HXUWFJFHSA-N 0 0 454.571 4.827 20 0 JJADRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC001464651103 1068811676 /nfs/dbraw/zinc/81/16/76/1068811676.db2.gz WRRWOFCVAXUNAH-LJQANCHMSA-N 0 0 456.340 4.583 20 0 JJADRN CS(C)(=O)=Nc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC001464652287 1068812170 /nfs/dbraw/zinc/81/21/70/1068812170.db2.gz IWDORNZHEHBCFH-QGZVFWFLSA-N 0 0 458.971 4.769 20 0 JJADRN COc1ccc(COCCC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001464655521 1068813306 /nfs/dbraw/zinc/81/33/06/1068813306.db2.gz SVBGTFDMJUEOFL-IBGZPJMESA-N 0 0 455.942 4.712 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC001464655336 1068813432 /nfs/dbraw/zinc/81/34/32/1068813432.db2.gz GUAPWCQQVLUPNJ-UHFFFAOYSA-N 0 0 458.274 4.652 20 0 JJADRN COc1c(Cl)cc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1Cl ZINC001464657093 1068813825 /nfs/dbraw/zinc/81/38/25/1068813825.db2.gz UTETWCGXWZRXDM-CYBMUJFWSA-N 0 0 458.139 4.756 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2)nn1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001464657278 1068813854 /nfs/dbraw/zinc/81/38/54/1068813854.db2.gz NFGMPYAUUPOCCL-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)cc1Br ZINC001464659463 1068814940 /nfs/dbraw/zinc/81/49/40/1068814940.db2.gz RYRRJNITPRZZAH-VFNWGFHPSA-N 0 0 455.393 4.548 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc1Br ZINC001464660643 1068815458 /nfs/dbraw/zinc/81/54/58/1068815458.db2.gz XPJBNMZIKJCRNI-UHFFFAOYSA-N 0 0 453.308 4.874 20 0 JJADRN Cc1cc(C)cc(CS(=O)(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC001464660151 1068815624 /nfs/dbraw/zinc/81/56/24/1068815624.db2.gz DRUVDDGXWHRIQD-OAQYLSRUSA-N 0 0 450.645 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2C1 ZINC001464663815 1068816596 /nfs/dbraw/zinc/81/65/96/1068816596.db2.gz HHWFUCXJRISYNU-UHFFFAOYSA-N 0 0 451.498 4.704 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2CCCSC[C@@H]2c2cnn(C)c2)cc1C(C)C ZINC001464663264 1068816651 /nfs/dbraw/zinc/81/66/51/1068816651.db2.gz FFNHEQKIQXUYIE-OAQYLSRUSA-N 0 0 451.658 4.591 20 0 JJADRN Cc1ccc(CS(=O)(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1C ZINC001464663334 1068816792 /nfs/dbraw/zinc/81/67/92/1068816792.db2.gz NHPTUVLVXPCHJF-NRFANRHFSA-N 0 0 450.645 4.683 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CCC1 ZINC001546148538 1068817176 /nfs/dbraw/zinc/81/71/76/1068817176.db2.gz VBHKNCXVHSMSJY-WHUARKNTSA-N 0 0 451.640 4.779 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001464665967 1068817423 /nfs/dbraw/zinc/81/74/23/1068817423.db2.gz RPVHDGZTDXRNBX-FQEVSTJZSA-N 0 0 452.016 4.960 20 0 JJADRN Cc1cc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)ccc1O ZINC001464669165 1068818490 /nfs/dbraw/zinc/81/84/90/1068818490.db2.gz MYMAVNLWFMZQLF-FQEVSTJZSA-N 0 0 457.299 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC001464669121 1068818569 /nfs/dbraw/zinc/81/85/69/1068818569.db2.gz UNFMICCSNSFZMJ-UHFFFAOYSA-N 0 0 457.384 4.582 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3cc4c(ccc(F)c4Br)[nH]3)co2)cc1 ZINC001464669787 1068818821 /nfs/dbraw/zinc/81/88/21/1068818821.db2.gz OUGIEDNLXAMAAB-UHFFFAOYSA-N 0 0 458.287 4.706 20 0 JJADRN CCCN(C(=O)c1cc(Cl)nc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001464671183 1068818932 /nfs/dbraw/zinc/81/89/32/1068818932.db2.gz HDKFUSHRTQBEHF-UHFFFAOYSA-N 0 0 453.892 4.911 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCC2(c3ccc(F)cc3)CCC2)(c2ccccc2)C1 ZINC001464671289 1068819050 /nfs/dbraw/zinc/81/90/50/1068819050.db2.gz DVZVVTGVWAEFER-HHHXNRCGSA-N 0 0 452.570 4.942 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCC2(c3ccc(F)cc3)CCC2)(c2ccccc2)C1 ZINC001464671290 1068819133 /nfs/dbraw/zinc/81/91/33/1068819133.db2.gz DVZVVTGVWAEFER-MHZLTWQESA-N 0 0 452.570 4.942 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(C(=O)[C@H](CCc3ccccc3)C(C)C)CC2)cc1 ZINC001464673038 1068819631 /nfs/dbraw/zinc/81/96/31/1068819631.db2.gz FZYSJXCBXKWDEY-AREMUKBSSA-N 0 0 450.623 4.594 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)Nc1cccc(-c3cccs3)c1)CC2 ZINC001464674773 1068820251 /nfs/dbraw/zinc/82/02/51/1068820251.db2.gz ABMKOKIYEWAUCQ-UHFFFAOYSA-N 0 0 450.560 4.736 20 0 JJADRN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464676253 1068821481 /nfs/dbraw/zinc/82/14/81/1068821481.db2.gz IKDDTIRNKYBFFF-IRXDYDNUSA-N 0 0 452.636 4.532 20 0 JJADRN C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464676256 1068821512 /nfs/dbraw/zinc/82/15/12/1068821512.db2.gz IKDDTIRNKYBFFF-SJORKVTESA-N 0 0 452.636 4.532 20 0 JJADRN C[C@@](O)(C(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc(Cl)cc1 ZINC001464684029 1068824341 /nfs/dbraw/zinc/82/43/41/1068824341.db2.gz BQQVOUZIAZKROH-IBGZPJMESA-N 0 0 451.773 4.996 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001464690314 1068826328 /nfs/dbraw/zinc/82/63/28/1068826328.db2.gz LIYHULFZWNDENQ-LJQANCHMSA-N 0 0 454.773 4.732 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)c3cccc(Br)c3)C2)cc1 ZINC001464690297 1068826364 /nfs/dbraw/zinc/82/63/64/1068826364.db2.gz KANDYKXIMMZMCM-ROUUACIJSA-N 0 0 458.400 4.921 20 0 JJADRN CNc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(Cl)c1 ZINC001464689695 1068826434 /nfs/dbraw/zinc/82/64/34/1068826434.db2.gz YLXCJZYRZVMJAH-UHFFFAOYSA-N 0 0 450.764 4.635 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c(Cl)c1 ZINC001464695310 1068827910 /nfs/dbraw/zinc/82/79/10/1068827910.db2.gz RMXHLKUMJRWVGJ-MRXNPFEDSA-N 0 0 458.946 4.501 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC001464695447 1068828105 /nfs/dbraw/zinc/82/81/05/1068828105.db2.gz STQBJEHLRWGIDG-UYAOXDASSA-N 0 0 459.365 4.939 20 0 JJADRN Cc1ccc(O)cc1C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464699976 1068829173 /nfs/dbraw/zinc/82/91/73/1068829173.db2.gz FSECJULCHFLHNF-UHFFFAOYSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)c1 ZINC001464701456 1068829652 /nfs/dbraw/zinc/82/96/52/1068829652.db2.gz JHYITJJWEIKPNE-FQEVSTJZSA-N 0 0 450.645 4.741 20 0 JJADRN CC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001464703371 1068830373 /nfs/dbraw/zinc/83/03/73/1068830373.db2.gz KWPJPBRNISMGOI-XMMPIXPASA-N 0 0 457.014 4.691 20 0 JJADRN CC(C)COC[C@@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)c1ccco1 ZINC001464703053 1068830472 /nfs/dbraw/zinc/83/04/72/1068830472.db2.gz SIZDWZDWNFTPCM-JOCHJYFZSA-N 0 0 456.583 4.759 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001464701997 1068830535 /nfs/dbraw/zinc/83/05/35/1068830535.db2.gz DNDHBCFKGXYEFS-YZGWKJHDSA-N 0 0 472.561 4.665 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)C1 ZINC001464704510 1068831078 /nfs/dbraw/zinc/83/10/78/1068831078.db2.gz HBLBOMOJFRAKJI-UUOWRZLLSA-N 0 0 459.993 4.657 20 0 JJADRN Nc1c(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)ccc(Cl)c1Cl ZINC001464705284 1068831514 /nfs/dbraw/zinc/83/15/14/1068831514.db2.gz ICMKIRUANSLVGS-UHFFFAOYSA-N 0 0 453.333 4.724 20 0 JJADRN CCOC(=O)N(C)C1CCN(C(=O)C2(c3cccc(Br)c3)CCCCC2)CC1 ZINC001464705529 1068831698 /nfs/dbraw/zinc/83/16/98/1068831698.db2.gz DRGRGBBQAASGSA-UHFFFAOYSA-N 0 0 451.405 4.730 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCSCC1 ZINC001464709722 1068834235 /nfs/dbraw/zinc/83/42/35/1068834235.db2.gz PYZQOJWTMDSGDN-HSZRJFAPSA-N 0 0 452.620 4.952 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21)c1cc(F)ccc1F ZINC001464714055 1068835078 /nfs/dbraw/zinc/83/50/78/1068835078.db2.gz KVTFRGGPTFMONA-MGPUTAFESA-N 0 0 457.502 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc(CCCc3ccccc3)c2)C1 ZINC001464715236 1068836069 /nfs/dbraw/zinc/83/60/69/1068836069.db2.gz NCLYEENMHHHKGT-WXVAWEFUSA-N 0 0 450.579 4.826 20 0 JJADRN O=C(c1ccc(I)cc1F)N1CCC(Nc2ccccc2Cl)CC1 ZINC001464715849 1068836264 /nfs/dbraw/zinc/83/62/64/1068836264.db2.gz DIOCRPZQIQZESC-UHFFFAOYSA-N 0 0 458.702 4.800 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N(C)Cc1cc(Br)ccc1F)O2 ZINC001464718039 1068836879 /nfs/dbraw/zinc/83/68/79/1068836879.db2.gz DRBXQIJQQWWVDK-QFIPXVFZSA-N 0 0 450.348 4.961 20 0 JJADRN O=Cc1cc(F)c(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001464718944 1068837233 /nfs/dbraw/zinc/83/72/33/1068837233.db2.gz XJZYVDLLIODYIQ-XMMPIXPASA-N 0 0 454.904 4.978 20 0 JJADRN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC001464719450 1068837441 /nfs/dbraw/zinc/83/74/41/1068837441.db2.gz RVZURNFZCXAKEZ-CQSZACIVSA-N 0 0 459.424 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC001464721377 1068837738 /nfs/dbraw/zinc/83/77/38/1068837738.db2.gz URVHYTVNHIUVNQ-QGZVFWFLSA-N 0 0 450.564 4.750 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ncccc1Oc1ccccc1 ZINC001464719630 1068837953 /nfs/dbraw/zinc/83/79/53/1068837953.db2.gz HRYYAPABIFOBLX-UHFFFAOYSA-N 0 0 459.527 4.605 20 0 JJADRN O=C(Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)C1=CS(=O)(=O)CCC1 ZINC001464720550 1068838026 /nfs/dbraw/zinc/83/80/26/1068838026.db2.gz SYJUQYKRMYSUFX-UHFFFAOYSA-N 0 0 458.923 4.605 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cc(Br)c(C)cc2OC)C2CCC2)cc1 ZINC001464724762 1068838866 /nfs/dbraw/zinc/83/88/66/1068838866.db2.gz RROHOOWULNTNSQ-FQEVSTJZSA-N 0 0 454.386 4.594 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3C)[nH]c21 ZINC001464723036 1068839193 /nfs/dbraw/zinc/83/91/93/1068839193.db2.gz DYCNJZZRZZOKTQ-SFHVURJKSA-N 0 0 458.381 4.701 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)CSCc1cn2cc(C)ccc2n1 ZINC001464725382 1068839214 /nfs/dbraw/zinc/83/92/14/1068839214.db2.gz TVWBOBCAOPSBQQ-UHFFFAOYSA-N 0 0 450.377 4.826 20 0 JJADRN Cc1ccccc1-n1c2nnc(SCC(=O)Nc3c(C)cccc3C)n2c2ccccc2c1=O ZINC000003257548 194253875 /nfs/dbraw/zinc/25/38/75/194253875.db2.gz ISVJEZHTKGYCGW-UHFFFAOYSA-N 0 0 469.570 4.689 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2csc(-c3ccccc3)n2)c1C ZINC000009125393 194549914 /nfs/dbraw/zinc/54/99/14/194549914.db2.gz NPCPATFQWGBSMR-QFIPXVFZSA-N 0 0 463.603 4.616 20 0 JJADRN Cn1cccc1C(=O)COc1c(Br)cc(Br)cc1Br ZINC000048404422 527384396 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FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645253 719291557 /nfs/dbraw/zinc/29/15/57/719291557.db2.gz FBHORJDSBWJCOP-CYZMBNFOSA-N 0 0 469.970 4.671 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646697 719294141 /nfs/dbraw/zinc/29/41/41/719294141.db2.gz PNWRUSVQWHHPSW-IPJJNNNSSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656149 719295509 /nfs/dbraw/zinc/29/55/09/719295509.db2.gz WLQHDVAXEUSNCZ-BDTNDASRSA-N 0 0 472.923 4.690 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164649796 719295801 /nfs/dbraw/zinc/29/58/01/719295801.db2.gz HJKXYHHDJCWTFJ-ZLNRFVROSA-N 0 0 486.950 4.998 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c(Cl)nn2)cc1 ZINC001164650559 719295814 /nfs/dbraw/zinc/29/58/14/719295814.db2.gz JEAAYSHMZLACPI-FSSWDIPSSA-N 0 0 490.913 4.829 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@H]3O2)n1 ZINC001164654217 719298530 /nfs/dbraw/zinc/29/85/30/719298530.db2.gz QRDZXFXHHSSLSN-NZVBXONLSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc5nc(Cl)nc(Cl)c5c4)C[C@@H]3O2)n1 ZINC001164646331 719298721 /nfs/dbraw/zinc/29/87/21/719298721.db2.gz AIVWVUPFCFKKOJ-LKTVYLICSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@H]3O2)n1 ZINC001164656079 719299182 /nfs/dbraw/zinc/29/91/82/719299182.db2.gz VVGJACKKZIHPBE-LEWSCRJBSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164655384 719300387 /nfs/dbraw/zinc/30/03/87/719300387.db2.gz TUAWRWCEGWANOU-YZGWKJHDSA-N 0 0 494.665 4.604 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3O2)n1 ZINC001164655648 719300945 /nfs/dbraw/zinc/30/09/45/719300945.db2.gz ULRNWMRKUFMDLV-UXPWSPDFSA-N 0 0 476.911 4.907 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164646306 719301890 /nfs/dbraw/zinc/30/18/90/719301890.db2.gz ADRBZTGFVKKOAZ-JEBQAFNWSA-N 0 0 465.863 4.529 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164652200 719314653 /nfs/dbraw/zinc/31/46/53/719314653.db2.gz PGWPGLREBLHXAA-UHFFFAOYSA-N 0 0 452.764 4.988 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncnc3cc(OCc4ccccc4)ccc31)CC2 ZINC001164651893 719317487 /nfs/dbraw/zinc/31/74/87/719317487.db2.gz IFRKEAXDWMESEZ-UHFFFAOYSA-N 0 0 456.594 4.611 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(Cl)nn1 ZINC001164654524 719317799 /nfs/dbraw/zinc/31/77/99/719317799.db2.gz QYSJODVTCJBUMP-UHFFFAOYSA-N 0 0 490.986 4.752 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c(Cl)nn2)c1 ZINC001164654102 719318107 /nfs/dbraw/zinc/31/81/07/719318107.db2.gz ONTRWIBPELPUBT-UHFFFAOYSA-N 0 0 490.986 4.752 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656522 719322977 /nfs/dbraw/zinc/32/29/77/719322977.db2.gz XMVXWKWPAMZUCI-UHFFFAOYSA-N 0 0 496.949 4.971 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164654895 719322990 /nfs/dbraw/zinc/32/29/90/719322990.db2.gz NOCMYMMDSAAXOK-UHFFFAOYSA-N 0 0 496.949 4.971 20 0 JJADRN Fc1cnc(Cl)cc1C(F)(F)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164654007 719323057 /nfs/dbraw/zinc/32/30/57/719323057.db2.gz JGHLXSHTMPTFRZ-UHFFFAOYSA-N 0 0 463.891 4.562 20 0 JJADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164654767 719326652 /nfs/dbraw/zinc/32/66/52/719326652.db2.gz MUXZIPRSJZTWBO-KLHJMIIUSA-N 0 0 481.996 4.909 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164656321 719328171 /nfs/dbraw/zinc/32/81/71/719328171.db2.gz WRUDSELRKBTOGA-UHFFFAOYSA-N 0 0 488.951 4.984 20 0 JJADRN Clc1nc2c(c(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)n1)CN(Cc1ccccc1)CC2 ZINC001164663596 719342431 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JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164721799 720317671 /nfs/dbraw/zinc/31/76/71/720317671.db2.gz HWNOTCNCSFHQGB-HXUWFJFHSA-N 0 0 489.954 4.844 20 0 JJADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164724967 720318207 /nfs/dbraw/zinc/31/82/07/720318207.db2.gz UBLVDAYDAKFKLD-SFHVURJKSA-N 0 0 463.916 4.557 20 0 JJADRN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164724537 720325366 /nfs/dbraw/zinc/32/53/66/720325366.db2.gz KQRRRRORSABXIK-JBACZVJFSA-N 0 0 486.003 4.559 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164826053 720386720 /nfs/dbraw/zinc/38/67/20/720386720.db2.gz WJCMZHGOTOVTSI-OAGGEKHMSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164826861 720387453 /nfs/dbraw/zinc/38/74/53/720387453.db2.gz XXZOWNIPULZXEX-QRVBRYPASA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821806 720388994 /nfs/dbraw/zinc/38/89/94/720388994.db2.gz ISVPWRAUJMPBCB-KSZLIROESA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821861 720390437 /nfs/dbraw/zinc/39/04/37/720390437.db2.gz JZMSMXJEHZNELK-KZNAEPCWSA-N 0 0 466.941 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723780 720391509 /nfs/dbraw/zinc/39/15/09/720391509.db2.gz HIHIYLPVDINWIL-MSOLQXFVSA-N 0 0 450.320 4.730 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164823657 720393828 /nfs/dbraw/zinc/39/38/28/720393828.db2.gz PDZXUNSWUBQAFL-FQEVSTJZSA-N 0 0 486.897 4.594 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001164832113 720399059 /nfs/dbraw/zinc/39/90/59/720399059.db2.gz ZOYOVLLQZBUMRV-UHFFFAOYSA-N 0 0 461.948 4.574 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164831546 720404823 /nfs/dbraw/zinc/40/48/23/720404823.db2.gz WGLZEPASJZBQPG-KFWWJZLASA-N 0 0 472.279 4.552 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)O2)n1 ZINC001164831678 720405526 /nfs/dbraw/zinc/40/55/26/720405526.db2.gz XNJQAZGEQUYLSW-KFWWJZLASA-N 0 0 456.280 4.672 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](c5nc(C)no5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164828825 720411346 /nfs/dbraw/zinc/41/13/46/720411346.db2.gz LKSDECOMDSGULJ-GBESFXJTSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)O2)n1 ZINC001164832068 720411405 /nfs/dbraw/zinc/41/14/05/720411405.db2.gz YVWXHDUWNJFSNP-SQNIBIBYSA-N 0 0 465.863 4.671 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164725309 720484371 /nfs/dbraw/zinc/48/43/71/720484371.db2.gz JLZQJFMQVWNLMR-SFTDATJTSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164725307 720484655 /nfs/dbraw/zinc/48/46/55/720484655.db2.gz JLZQJFMQVWNLMR-NHCUHLMSSA-N 0 0 459.903 4.729 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725794 720485198 /nfs/dbraw/zinc/48/51/98/720485198.db2.gz KLCKGIIHTIDOAG-FCHUYYIVSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164730849 720491087 /nfs/dbraw/zinc/49/10/87/720491087.db2.gz VNFKNOWFJVGMTO-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2Cl)C3)c1 ZINC001164730178 720491161 /nfs/dbraw/zinc/49/11/61/720491161.db2.gz SQQPXBWKBVJXEM-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN CSc1ccc(C(F)(F)N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1Cl ZINC001164730082 720493966 /nfs/dbraw/zinc/49/39/66/720493966.db2.gz SGFIYAQNZBMASQ-VFNWGFHPSA-N 0 0 487.975 4.865 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]21)N1CCCCC1 ZINC001164832577 720499994 /nfs/dbraw/zinc/49/99/94/720499994.db2.gz JRWBMHJYLOVPPJ-QFUCXCTJSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164834464 720500201 /nfs/dbraw/zinc/50/02/01/720500201.db2.gz SHWPSONEQUFOAG-DSKINZAPSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164831915 720501347 /nfs/dbraw/zinc/50/13/47/720501347.db2.gz IFPFRUGTDCZJII-LQWHRVPQSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164836562 720502476 /nfs/dbraw/zinc/50/24/76/720502476.db2.gz NEUGBFVJBXPGDP-KNKQGSTJSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164730150 720502684 /nfs/dbraw/zinc/50/26/84/720502684.db2.gz SPQSWIRKBDQMPM-RDTXWAMCSA-N 0 0 477.726 4.606 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735984 720538328 /nfs/dbraw/zinc/53/83/28/720538328.db2.gz SZGGYPYBJYPEGD-VBKZILBWSA-N 0 0 466.941 4.739 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735985 720538806 /nfs/dbraw/zinc/53/88/06/720538806.db2.gz SZGGYPYBJYPEGD-VLIAUNLRSA-N 0 0 466.941 4.739 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735301 720542001 /nfs/dbraw/zinc/54/20/01/720542001.db2.gz OIXCAJIJUPOPFV-AOMKIAJQSA-N 0 0 460.912 4.678 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN([C@H](F)Oc1ccnc(Cl)c1)Cc1ccccc12 ZINC001164844318 720744476 /nfs/dbraw/zinc/74/44/76/720744476.db2.gz PIJHYNSQOUQDPS-QHCPKHFHSA-N 0 0 455.917 4.650 20 0 JJADRN Nc1cc(Cl)ncc1C(F)(F)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164843444 720745309 /nfs/dbraw/zinc/74/53/09/720745309.db2.gz JWCDDEZPQSQLNV-UHFFFAOYSA-N 0 0 472.923 4.649 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164845235 720746623 /nfs/dbraw/zinc/74/66/23/720746623.db2.gz XXBYUYQUOGZJSN-UHFFFAOYSA-N 0 0 489.979 4.544 20 0 JJADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccccc1 ZINC001164846106 720766811 /nfs/dbraw/zinc/76/68/11/720766811.db2.gz HKAWKPFBZAZZGY-QZTJIDSGSA-N 0 0 455.896 4.511 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848774 720771335 /nfs/dbraw/zinc/77/13/35/720771335.db2.gz QOQXOHLZWNFVCR-QMMLZNLJSA-N 0 0 460.912 4.566 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164847141 720773902 /nfs/dbraw/zinc/77/39/02/720773902.db2.gz LGLJHQJUJROOEV-VDGAXYAQSA-N 0 0 478.902 4.705 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC001164846429 720776714 /nfs/dbraw/zinc/77/67/14/720776714.db2.gz ITDKFAUAXBVDNT-SNRMKQJTSA-N 0 0 455.958 4.740 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164845685 720778109 /nfs/dbraw/zinc/77/81/09/720778109.db2.gz GDRLSCBOSHKNMA-SCWSEQNSSA-N 0 0 476.911 4.673 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845684 720778728 /nfs/dbraw/zinc/77/87/28/720778728.db2.gz GDRLSCBOSHKNMA-PBEJRMEISA-N 0 0 476.911 4.673 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164850010 720780119 /nfs/dbraw/zinc/78/01/19/720780119.db2.gz VNVZKMLEZDGHJL-XHSDSOJGSA-N 0 0 460.308 4.551 20 0 JJADRN COC[C@]12CCC[C@@H]1CN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164847231 720788560 /nfs/dbraw/zinc/78/85/60/720788560.db2.gz MEDXCUDDJMKFBS-ZQMYSKGWSA-N 0 0 465.400 4.670 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)C2=O)c1 ZINC001164849212 720807428 /nfs/dbraw/zinc/80/74/28/720807428.db2.gz FHRKDWJZXDAHMI-HSZRJFAPSA-N 0 0 474.914 4.905 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)C3)C2=O)c1 ZINC001164851943 720808155 /nfs/dbraw/zinc/80/81/55/720808155.db2.gz LWLNGCZBQCYUNI-XMMPIXPASA-N 0 0 483.950 4.674 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2=O)c1 ZINC001164850660 720808413 /nfs/dbraw/zinc/80/84/13/720808413.db2.gz JTVHPCFJWJAQBS-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164850544 720813376 /nfs/dbraw/zinc/81/33/76/720813376.db2.gz JFWGGSOFFYEEGR-UTKZUKDTSA-N 0 0 472.898 4.576 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@@H]43)cnc2Cl)c1 ZINC001164849535 720823984 /nfs/dbraw/zinc/82/39/84/720823984.db2.gz QPFGWTOSCHPRAW-ACRUOGEOSA-N 0 0 477.939 4.546 20 0 JJADRN COC[C@@]12CCCO[C@H]1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852171 720827739 /nfs/dbraw/zinc/82/77/39/720827739.db2.gz ZKWINCDLFIZVNN-LVXARBLLSA-N 0 0 470.683 4.578 20 0 JJADRN Cc1nc([C@@H]2COCCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164745479 720864498 /nfs/dbraw/zinc/86/44/98/720864498.db2.gz DSXSDMZXIYGUBM-IBGZPJMESA-N 0 0 469.680 4.899 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCOC[C@H]3c3csc(C)n3)c(Cl)nn2)c1 ZINC001164744588 720865673 /nfs/dbraw/zinc/86/56/73/720865673.db2.gz BVDQLIKLFKBGKN-SFHVURJKSA-N 0 0 452.914 4.693 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1)c1ccccc1 ZINC001164858746 720898243 /nfs/dbraw/zinc/89/82/43/720898243.db2.gz OOXNEYXNWJZTCQ-QMHKHESXSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1)c1ccccc1 ZINC001164863238 720899935 /nfs/dbraw/zinc/89/99/35/720899935.db2.gz XSRAHNCVCDJYIZ-YADARESESA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1)c1ccccc1 ZINC001164853999 720900024 /nfs/dbraw/zinc/90/00/24/720900024.db2.gz DOUGVJYZQOPBHO-NLFFAJNJSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1)c1ccccc1 ZINC001164855881 720901863 /nfs/dbraw/zinc/90/18/63/720901863.db2.gz JQQZFDGMAKWSKI-GBXCKJPGSA-N 0 0 471.935 4.991 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164756203 720977881 /nfs/dbraw/zinc/97/78/81/720977881.db2.gz GIBLQLFOQMZXPU-AWEZNQCLSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164755567 720979339 /nfs/dbraw/zinc/97/93/39/720979339.db2.gz ARSYGDIEGUPOKS-HNNXBMFYSA-N 0 0 465.957 4.663 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164756446 720979363 /nfs/dbraw/zinc/97/93/63/720979363.db2.gz IJDWWQXLZOEJRI-QGZVFWFLSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164759310 720979462 /nfs/dbraw/zinc/97/94/62/720979462.db2.gz ZYQRSSVCAQVOBG-QGZVFWFLSA-N 0 0 459.928 4.601 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)cnc1Cl ZINC001164759700 721009256 /nfs/dbraw/zinc/00/92/56/721009256.db2.gz NFBYGZAWRONLAR-FCEUIQTBSA-N 0 0 475.898 4.901 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)cnc1Cl ZINC001164759701 721009681 /nfs/dbraw/zinc/00/96/81/721009681.db2.gz NFBYGZAWRONLAR-HJNYFJLDSA-N 0 0 475.898 4.901 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164762880 721011044 /nfs/dbraw/zinc/01/10/44/721011044.db2.gz WNSMOIWSALMSIG-ZLNRFVROSA-N 0 0 487.934 4.771 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164757969 721012017 /nfs/dbraw/zinc/01/20/17/721012017.db2.gz GUEWAESCAYJLMR-QYZOEREBSA-N 0 0 463.937 4.824 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1=O ZINC001164858112 721026674 /nfs/dbraw/zinc/02/66/74/721026674.db2.gz GIOJHJDAORIFPF-HLAWJBBLSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164760277 721027438 /nfs/dbraw/zinc/02/74/38/721027438.db2.gz CMNXSPRETPBVGP-GCJKJVERSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164763766 721029861 /nfs/dbraw/zinc/02/98/61/721029861.db2.gz KWYSXFHGIZTETN-JTSKRJEESA-N 0 0 460.912 4.568 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767584 721031060 /nfs/dbraw/zinc/03/10/60/721031060.db2.gz SALSSULXVKXNHX-AMGIVPHBSA-N 0 0 495.693 4.890 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@H]2COCc1ccccc1 ZINC001164760644 721047488 /nfs/dbraw/zinc/04/74/88/721047488.db2.gz ZHISRWFDUIGRRG-FQEVSTJZSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cnc(Cl)cc1Cl)[C@H]2COCc1ccccc1 ZINC001164758775 721047525 /nfs/dbraw/zinc/04/75/25/721047525.db2.gz BGZNVAAWUCZTFD-SFHVURJKSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)[C@H]2COCc1ccccc1 ZINC001164771634 721048093 /nfs/dbraw/zinc/04/80/93/721048093.db2.gz NEVKBKNTAWIOBT-NRFANRHFSA-N 0 0 484.938 4.760 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001164769615 721052207 /nfs/dbraw/zinc/05/22/07/721052207.db2.gz JQQFAYGCHQUOSR-QZTJIDSGSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)cc1 ZINC001164764789 721056582 /nfs/dbraw/zinc/05/65/82/721056582.db2.gz BNCDKTBVCLUHOV-YADHBBJMSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)c1 ZINC001164773441 721056650 /nfs/dbraw/zinc/05/66/50/721056650.db2.gz RSMILEZCFXHTHU-FCHUYYIVSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)n1 ZINC001164774112 721057277 /nfs/dbraw/zinc/05/72/77/721057277.db2.gz UUNGHUIQJVLECQ-LEWJYISDSA-N 0 0 460.956 4.632 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164770924 721058582 /nfs/dbraw/zinc/05/85/82/721058582.db2.gz LHARJWJWCMCSDX-MBSDFSHPSA-N 0 0 477.939 4.785 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)c(Cl)nn1 ZINC001164875727 721222798 /nfs/dbraw/zinc/22/27/98/721222798.db2.gz XHXZRNQKKJUGBW-UHFFFAOYSA-N 0 0 489.929 4.752 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]32)N=C1C ZINC001164875739 721233277 /nfs/dbraw/zinc/23/32/77/721233277.db2.gz WLNNONBFMOTXDH-SNYIIPAISA-N 0 0 488.966 4.724 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]32)N=C1C ZINC001164871236 721235992 /nfs/dbraw/zinc/23/59/92/721235992.db2.gz FRFCNWKAVLBOAD-SOIKWTOOSA-N 0 0 464.969 4.874 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]21 ZINC001164767133 721252356 /nfs/dbraw/zinc/25/23/56/721252356.db2.gz VUMKCJSKDIDRLO-VLCRHTCISA-N 0 0 487.934 4.555 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)O1)c1ccccc1 ZINC001164873369 721255247 /nfs/dbraw/zinc/25/52/47/721255247.db2.gz HSCPXOYYKAXDAX-YADARESESA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)O1)c1ccccc1 ZINC001164876146 721260060 /nfs/dbraw/zinc/26/00/60/721260060.db2.gz OFUUBZMSJCOLNL-KOSHJBKYSA-N 0 0 475.967 4.717 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)O1)c1ccccc1 ZINC001164879306 721260071 /nfs/dbraw/zinc/26/00/71/721260071.db2.gz XXHNIFUHOIFKRJ-NZQKXSOJSA-N 0 0 475.967 4.803 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCc4c(COCc5ccccn5)cncc4C3)nc(Cl)c2c1 ZINC001164767418 721271213 /nfs/dbraw/zinc/27/12/13/721271213.db2.gz QWEBNMCZBFQIHX-UHFFFAOYSA-N 0 0 497.933 4.906 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164769981 721274058 /nfs/dbraw/zinc/27/40/58/721274058.db2.gz QOOXVWGUKPXUGS-AWEZNQCLSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766276 721274415 /nfs/dbraw/zinc/27/44/15/721274415.db2.gz BFLUVVCAJURDFU-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164768156 721274603 /nfs/dbraw/zinc/27/46/03/721274603.db2.gz KSUACZRCAYMMHD-AWEZNQCLSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164769187 721274765 /nfs/dbraw/zinc/27/47/65/721274765.db2.gz PPIKJXQBUAFKGD-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)n1 ZINC001164775311 721303869 /nfs/dbraw/zinc/30/38/69/721303869.db2.gz VCZJAGIBTFQELB-FQEVSTJZSA-N 0 0 454.974 4.581 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)c1 ZINC001164774505 721304791 /nfs/dbraw/zinc/30/47/91/721304791.db2.gz DHXJHBFHIPFQEG-HXUWFJFHSA-N 0 0 457.352 4.599 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)c(Cl)n1 ZINC001164775323 721305135 /nfs/dbraw/zinc/30/51/35/721305135.db2.gz VPDBZUJVKPPRMS-HSZRJFAPSA-N 0 0 479.955 4.641 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC2)N1CC1CC1 ZINC001164774426 721306186 /nfs/dbraw/zinc/30/61/86/721306186.db2.gz BRAQIVZKMFDYLT-UHFFFAOYSA-N 0 0 455.336 4.853 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC4(CCC(=O)N4CC4CC4)CC3)c(Cl)nn2)cc1 ZINC001164775762 721307480 /nfs/dbraw/zinc/30/74/80/721307480.db2.gz JPEUJCUNYQDMKB-UHFFFAOYSA-N 0 0 476.955 4.722 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881979 721311418 /nfs/dbraw/zinc/31/14/18/721311418.db2.gz YWJJZCLOVVNADB-FSPWUOQZSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880300 721311916 /nfs/dbraw/zinc/31/19/16/721311916.db2.gz QGPPXALINQRUSB-MORSLUCNSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880854 721312860 /nfs/dbraw/zinc/31/28/60/721312860.db2.gz SUCQJBLSOXUQPK-JEBQAFNWSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@@H]32)nn1 ZINC001164777213 721314354 /nfs/dbraw/zinc/31/43/54/721314354.db2.gz RSFMFBSJAZEZQL-VQTJNVASSA-N 0 0 463.960 4.520 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164873279 721314512 /nfs/dbraw/zinc/31/45/12/721314512.db2.gz AZABMNUVSAZRCE-BPLDGKMQSA-N 0 0 463.834 4.757 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881100 721314624 /nfs/dbraw/zinc/31/46/24/721314624.db2.gz USLYWMLEFBIGSK-TYCQWZJGSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881968 721314714 /nfs/dbraw/zinc/31/47/14/721314714.db2.gz YTDZSVSFPCJPKL-TYCQWZJGSA-N 0 0 472.923 4.800 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c(Cl)nn1 ZINC001164876396 721315493 /nfs/dbraw/zinc/31/54/93/721315493.db2.gz GYHQWMSZQMFGRO-IWMITWMQSA-N 0 0 490.913 4.939 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001164779556 721315991 /nfs/dbraw/zinc/31/59/91/721315991.db2.gz YYLLWDJENJCBAD-UHFFFAOYSA-N 0 0 477.874 4.573 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164877216 721316119 /nfs/dbraw/zinc/31/61/19/721316119.db2.gz JYUUEMGJXTUUET-IWMITWMQSA-N 0 0 490.913 4.939 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164879313 721316220 /nfs/dbraw/zinc/31/62/20/721316220.db2.gz RLXYVSJLGFPZDV-QKYXUNIQSA-N 0 0 461.896 4.998 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164878429 721317148 /nfs/dbraw/zinc/31/71/48/721317148.db2.gz OEVJQNCMENZPIS-FQEVSTJZSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164880588 721317690 /nfs/dbraw/zinc/31/76/90/721317690.db2.gz YOSHSUOMEYUJCN-INIZCTEOSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164873725 721319273 /nfs/dbraw/zinc/31/92/73/721319273.db2.gz AUEUXQGDAURJNI-OAHLLOKOSA-N 0 0 459.846 4.799 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c(Cl)nn1 ZINC001164879359 721319726 /nfs/dbraw/zinc/31/97/26/721319726.db2.gz RXULMHKJHWYRIW-FQEVSTJZSA-N 0 0 498.961 4.851 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164777021 721326520 /nfs/dbraw/zinc/32/65/20/721326520.db2.gz KIQVIUZYUUMVAE-AWEZNQCLSA-N 0 0 464.875 4.569 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164874706 721328409 /nfs/dbraw/zinc/32/84/09/721328409.db2.gz IFADMQSHQYHIDM-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN O=C(CC1CCC2(CC1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2)N1CC=CC1 ZINC001164778629 721328759 /nfs/dbraw/zinc/32/87/59/721328759.db2.gz XTULWBGFRFOBSM-QHCPKHFHSA-N 0 0 486.966 4.501 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164876805 721329233 /nfs/dbraw/zinc/32/92/33/721329233.db2.gz QHGJFPZZMNOFRG-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)cs1 ZINC001164875356 721330358 /nfs/dbraw/zinc/33/03/58/721330358.db2.gz KKHNUJZYHBFLNW-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)cs1 ZINC001164876268 721331083 /nfs/dbraw/zinc/33/10/83/721331083.db2.gz NGTSXNCWXWZPHO-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)cs1 ZINC001164876732 721331148 /nfs/dbraw/zinc/33/11/48/721331148.db2.gz PPUYWTSYEJMSNA-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)cs1 ZINC001164876703 721331968 /nfs/dbraw/zinc/33/19/68/721331968.db2.gz PMBGNKGVUVSWPN-CQSZACIVSA-N 0 0 478.956 4.576 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(Cl)(Cl)Oc3ccc(Cl)nc3)C2)cs1 ZINC001164876861 721332675 /nfs/dbraw/zinc/33/26/75/721332675.db2.gz QZBRXWUFNFALNS-CQSZACIVSA-N 0 0 488.828 4.513 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)cs1 ZINC001164877801 721333001 /nfs/dbraw/zinc/33/30/01/721333001.db2.gz WYESUHPHGDVIRC-OAHLLOKOSA-N 0 0 479.984 4.583 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778854 721335615 /nfs/dbraw/zinc/33/56/15/721335615.db2.gz ZIMCASDOXSVVPD-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776638 721337204 /nfs/dbraw/zinc/33/72/04/721337204.db2.gz HKYWTSXGFSKNDE-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]2C1 ZINC001164881815 721353299 /nfs/dbraw/zinc/35/32/99/721353299.db2.gz BHOLFNKUQCGGAU-FXAWDEMLSA-N 0 0 489.975 4.986 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)N1c1ccsc1 ZINC001164882641 721354275 /nfs/dbraw/zinc/35/42/75/721354275.db2.gz KJBGKBDHQAYKOI-HUUCEWRRSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164885846 721357717 /nfs/dbraw/zinc/35/77/17/721357717.db2.gz ZVVOOLCJKKGQST-OALUTQOASA-N 0 0 467.664 4.740 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882633 721358514 /nfs/dbraw/zinc/35/85/14/721358514.db2.gz KHUQBOWBCDRPJY-RBUKOAKNSA-N 0 0 479.675 4.612 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883987 721359898 /nfs/dbraw/zinc/35/98/98/721359898.db2.gz SIIYCYHTTMYAHH-RTBURBONSA-N 0 0 476.936 4.796 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779882 721382845 /nfs/dbraw/zinc/38/28/45/721382845.db2.gz CZPKBTMWDVMLGC-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779423 721383278 /nfs/dbraw/zinc/38/32/78/721383278.db2.gz ANEPYOGUOALMRT-CVDCTZTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779655 721383347 /nfs/dbraw/zinc/38/33/47/721383347.db2.gz BYBQWDJOXXBGDD-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164783069 721383433 /nfs/dbraw/zinc/38/34/33/721383433.db2.gz NLVRVCKAVNNMBN-FDDCHVKYSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164788528 721383802 /nfs/dbraw/zinc/38/38/02/721383802.db2.gz ZORJTVZMMXETKX-WMZHIEFXSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779850 721384263 /nfs/dbraw/zinc/38/42/63/721384263.db2.gz CSEFOOFEQFNOTP-AUSIDOKSSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779852 721384531 /nfs/dbraw/zinc/38/45/31/721384531.db2.gz CSEFOOFEQFNOTP-WMZHIEFXSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779709 721385457 /nfs/dbraw/zinc/38/54/57/721385457.db2.gz CFUZNZNOHLQOBQ-GCJKJVERSA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782561 721387476 /nfs/dbraw/zinc/38/74/76/721387476.db2.gz MIBTWILLYWWPIR-WZONZLPQSA-N 0 0 463.956 4.756 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164781161 721412674 /nfs/dbraw/zinc/41/26/74/721412674.db2.gz CEYMGXGHFCOSRU-VXGBXAGGSA-N 0 0 456.349 4.506 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164781727 721413266 /nfs/dbraw/zinc/41/32/66/721413266.db2.gz DJQDYFBLDRYQKF-VXGBXAGGSA-N 0 0 456.349 4.506 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164788084 721441294 /nfs/dbraw/zinc/44/12/94/721441294.db2.gz YVWGOQRSMGWAFO-FQEVSTJZSA-N 0 0 469.923 4.882 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)nc2Cl)CCO3)cs1 ZINC001164785835 721442943 /nfs/dbraw/zinc/44/29/43/721442943.db2.gz SYHREDUYIVEQIX-UGSOOPFHSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccc(F)c(Cl)n2)CCO3)cs1 ZINC001164788218 721443346 /nfs/dbraw/zinc/44/33/46/721443346.db2.gz ZYUZCXUDANNXDA-IFXJQAMLSA-N 0 0 461.937 4.776 20 0 JJADRN COc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)cc(Cl)n1 ZINC001164785842 721443369 /nfs/dbraw/zinc/44/33/69/721443369.db2.gz SZNQXEWXKIOJSE-MGPUTAFESA-N 0 0 473.973 4.646 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)c(Cl)n1 ZINC001164787250 721443757 /nfs/dbraw/zinc/44/37/57/721443757.db2.gz WQCXEXKDGADATO-QRWLVFNGSA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)ncc2F)CCO3)cs1 ZINC001164787439 721444090 /nfs/dbraw/zinc/44/40/90/721444090.db2.gz XBTNHOIKIMVQOU-LIRRHRJNSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(c2nc(Cl)ccc2CN2CCCC2)CCO3)cs1 ZINC001164788176 721444131 /nfs/dbraw/zinc/44/41/31/721444131.db2.gz ZGNLBOPJKURZFP-HYBUGGRVSA-N 0 0 477.074 4.688 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2C)CCO3)cs1 ZINC001164781504 721444412 /nfs/dbraw/zinc/44/44/12/721444412.db2.gz GBXVYXVDOPEFMM-OXJNMPFZSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164784150 721444962 /nfs/dbraw/zinc/44/49/62/721444962.db2.gz OYZOSPOELIPRQZ-LIRRHRJNSA-N 0 0 493.407 4.772 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164887105 721460114 /nfs/dbraw/zinc/46/01/14/721460114.db2.gz ISPIIRHYHIUWMI-FSSWDIPSSA-N 0 0 490.982 4.728 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)C2=O)cs1 ZINC001164885545 721460692 /nfs/dbraw/zinc/46/06/92/721460692.db2.gz FINIQRVOSBISMR-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1Cl ZINC001164885536 721461568 /nfs/dbraw/zinc/46/15/68/721461568.db2.gz FEDATJFLZROZIH-LJQANCHMSA-N 0 0 473.014 4.786 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)C2=O)cs1 ZINC001164889046 721461907 /nfs/dbraw/zinc/46/19/07/721461907.db2.gz HETIPVZEWATEDC-SFHVURJKSA-N 0 0 477.364 4.597 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@H]21 ZINC001164894670 721467114 /nfs/dbraw/zinc/46/71/14/721467114.db2.gz XGFLDTDZNFNKBF-PZJWPPBQSA-N 0 0 463.651 4.503 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164891267 721470380 /nfs/dbraw/zinc/47/03/80/721470380.db2.gz MKCRPTCKGNBSIH-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164887018 721470522 /nfs/dbraw/zinc/47/05/22/721470522.db2.gz BBCTXNAAPNBEDZ-KRWDZBQOSA-N 0 0 469.923 4.878 20 0 JJADRN CCOC[C@H]1CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cnn(C)c21 ZINC001164789069 721477721 /nfs/dbraw/zinc/47/77/21/721477721.db2.gz ARBWJZPYIWKMPC-UYAOXDASSA-N 0 0 494.709 4.676 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)cnc2Cl)c1 ZINC001164792635 721483982 /nfs/dbraw/zinc/48/39/82/721483982.db2.gz ODLPCZDEHLVBRG-HJNYFJLDSA-N 0 0 491.966 4.651 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164791825 721485330 /nfs/dbraw/zinc/48/53/30/721485330.db2.gz FKILPHWSIPSNSV-YUNKPMOVSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164793926 721485824 /nfs/dbraw/zinc/48/58/24/721485824.db2.gz XWGXKQQWYJLDTO-XCLFUZPHSA-N 0 0 485.293 4.547 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164895713 721486221 /nfs/dbraw/zinc/48/62/21/721486221.db2.gz MXTVGTDFBBPQAB-QGZVFWFLSA-N 0 0 454.912 4.677 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164893224 721486282 /nfs/dbraw/zinc/48/62/82/721486282.db2.gz BTMPRSLWRRDCTC-AWEZNQCLSA-N 0 0 463.319 4.816 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164792430 721486857 /nfs/dbraw/zinc/48/68/57/721486857.db2.gz IYTZXSOYFJCZOK-RNODOKPDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164791107 721488600 /nfs/dbraw/zinc/48/86/00/721488600.db2.gz AOXDPDOTKVJMTD-QRQCRPRQSA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164895937 721489004 /nfs/dbraw/zinc/48/90/04/721489004.db2.gz OITFJUZPMMGFAA-ZDUSSCGKSA-N 0 0 485.362 4.526 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164900724 721491686 /nfs/dbraw/zinc/49/16/86/721491686.db2.gz RMNBIDQFUUBTMZ-HNNXBMFYSA-N 0 0 470.351 4.549 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC2)c2ccc(C)cc21 ZINC001164899888 721492235 /nfs/dbraw/zinc/49/22/35/721492235.db2.gz LXOGJUWTMWCSDA-IBGZPJMESA-N 0 0 473.955 4.982 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)c2ccc(C)cc21 ZINC001164901994 721492415 /nfs/dbraw/zinc/49/24/15/721492415.db2.gz XWWGCEBHSRTAIV-FQEVSTJZSA-N 0 0 475.971 4.773 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164900176 721492690 /nfs/dbraw/zinc/49/26/90/721492690.db2.gz MZKGZJXSFGMWFH-SFHVURJKSA-N 0 0 473.955 4.982 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164901182 721496962 /nfs/dbraw/zinc/49/69/62/721496962.db2.gz TYPSOHQARIEZFS-AWRGLXIESA-N 0 0 453.030 4.720 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164899092 721500815 /nfs/dbraw/zinc/50/08/15/721500815.db2.gz WPNJSXGIKBDJAW-QGZVFWFLSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164897492 721501790 /nfs/dbraw/zinc/50/17/90/721501790.db2.gz MBXOHNZUOGGCMK-CQSZACIVSA-N 0 0 470.775 4.734 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164895556 721502821 /nfs/dbraw/zinc/50/28/21/721502821.db2.gz CUJXJYCGOZINHI-HXUWFJFHSA-N 0 0 496.961 4.629 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC2)N1Cc1ccncc1 ZINC001164899631 721506632 /nfs/dbraw/zinc/50/66/32/721506632.db2.gz LJKSZTWIOYUWFK-UHFFFAOYSA-N 0 0 489.979 4.960 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164801380 721538886 /nfs/dbraw/zinc/53/88/86/721538886.db2.gz FDESGBHAOIPXEO-AQNXPRMDSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164801382 721539299 /nfs/dbraw/zinc/53/92/99/721539299.db2.gz FDESGBHAOIPXEO-VAMGGRTRSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164803168 721558512 /nfs/dbraw/zinc/55/85/12/721558512.db2.gz JQNAUHNWCXMKLH-VAMGGRTRSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164801646 721562961 /nfs/dbraw/zinc/56/29/61/721562961.db2.gz GYYOLRVFGJYYFI-TUNNFDKTSA-N 0 0 458.940 4.696 20 0 JJADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164907602 721569787 /nfs/dbraw/zinc/56/97/87/721569787.db2.gz OWDUPRQVVLQAKY-SNVBAGLBSA-N 0 0 463.743 4.830 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164800312 721576190 /nfs/dbraw/zinc/57/61/90/721576190.db2.gz DTFNPFVSJZSHIH-CQOQZXRMSA-N 0 0 475.593 4.761 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164902658 721577943 /nfs/dbraw/zinc/57/79/43/721577943.db2.gz HKFCWGXCMKMRRD-LJQANCHMSA-N 0 0 479.959 4.525 20 0 JJADRN CSCc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810182 721578992 /nfs/dbraw/zinc/57/89/92/721578992.db2.gz UXVFAQBKOHMWMZ-SKPFHBQLSA-N 0 0 495.718 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799263 721580260 /nfs/dbraw/zinc/58/02/60/721580260.db2.gz AFKSSLZHXKEGAP-ZVDOUQERSA-N 0 0 491.995 4.667 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@H]2CCCO[C@H]12 ZINC001164806285 721586593 /nfs/dbraw/zinc/58/65/93/721586593.db2.gz MTWYSLJPYBWZKJ-ZRBLBEILSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806965 721588183 /nfs/dbraw/zinc/58/81/83/721588183.db2.gz OFKIAJCDYIZOFM-TXTKFYIRSA-N 0 0 488.394 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808906 721589694 /nfs/dbraw/zinc/58/96/94/721589694.db2.gz ROCIHFSYCCHAMY-DWLFOUALSA-N 0 0 486.403 4.839 20 0 JJADRN CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801643 721589750 /nfs/dbraw/zinc/58/97/50/721589750.db2.gz FDYKQUMPJNSXLR-SFLYRZDNSA-N 0 0 480.012 4.748 20 0 JJADRN CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810830 721589871 /nfs/dbraw/zinc/58/98/71/721589871.db2.gz WIRWEWRHHMCWKG-OEMFJLHTSA-N 0 0 480.012 4.748 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(Cl)nn2)c1 ZINC001164800886 721591855 /nfs/dbraw/zinc/59/18/55/721591855.db2.gz DAKGZPXKIHQVDA-KMDXXIMOSA-N 0 0 499.993 4.914 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)nc(Cl)n1 ZINC001164800326 721593064 /nfs/dbraw/zinc/59/30/64/721593064.db2.gz OYFKSEFZGVEUII-KRWDZBQOSA-N 0 0 478.971 4.803 20 0 JJADRN COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 ZINC001164798533 721593293 /nfs/dbraw/zinc/59/32/93/721593293.db2.gz JIXSSTJBWFXYRP-MRXNPFEDSA-N 0 0 494.970 4.504 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)Oc2ccccc21 ZINC001164804870 721593309 /nfs/dbraw/zinc/59/33/09/721593309.db2.gz ZHLBEYDHPIFVCI-GAJHUEQPSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803453 721593502 /nfs/dbraw/zinc/59/35/02/721593502.db2.gz WHSCQRIEFOGFKW-KRWDZBQOSA-N 0 0 479.955 4.980 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)n1 ZINC001164797784 721600447 /nfs/dbraw/zinc/60/04/47/721600447.db2.gz CDMUHZVWGHZBPX-UZLBHIALSA-N 0 0 454.974 4.924 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798804 721600796 /nfs/dbraw/zinc/60/07/96/721600796.db2.gz GIJSMTSJSVFORY-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)nc1Cl ZINC001164804218 721600933 /nfs/dbraw/zinc/60/09/33/721600933.db2.gz XEPZGZUNQYIFKF-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798271 721601460 /nfs/dbraw/zinc/60/14/60/721601460.db2.gz DDTPXXKFMJOLQN-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164797442 721601727 /nfs/dbraw/zinc/60/17/27/721601727.db2.gz AIZVVTCQKUALRD-AVRDEDQJSA-N 0 0 475.927 4.857 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164797531 721603782 /nfs/dbraw/zinc/60/37/82/721603782.db2.gz BIXANXRYAWPCHJ-LJQANCHMSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164804767 721603930 /nfs/dbraw/zinc/60/39/30/721603930.db2.gz ZBVWCSMQHZWMSW-QGZVFWFLSA-N 0 0 464.944 4.649 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164799985 721605524 /nfs/dbraw/zinc/60/55/24/721605524.db2.gz LTMSYUHLZIWHCI-LJQANCHMSA-N 0 0 473.282 4.826 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164800534 721607416 /nfs/dbraw/zinc/60/74/16/721607416.db2.gz DYUBSOPIUPIMJX-HRAATJIYSA-N 0 0 483.346 4.738 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010925 721691307 /nfs/dbraw/zinc/69/13/07/721691307.db2.gz XVOYEGNTTFVJOG-UVQUFPMPSA-N 0 0 475.927 4.559 20 0 JJADRN C[C@@H]1CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007879 721692320 /nfs/dbraw/zinc/69/23/20/721692320.db2.gz GGCXIPIAIJAWBX-AUJRIZCKSA-N 0 0 487.334 4.611 20 0 JJADRN C[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008879 721692581 /nfs/dbraw/zinc/69/25/81/721692581.db2.gz LLBFNQLZMUZOKT-CFLQYTFWSA-N 0 0 468.957 4.671 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008380 721692808 /nfs/dbraw/zinc/69/28/08/721692808.db2.gz ISGBSDKYAZXUNS-ZNRXUEPQSA-N 0 0 476.955 4.566 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001165011746 721718120 /nfs/dbraw/zinc/71/81/20/721718120.db2.gz SYQNMYZEPHUCHT-UHFFFAOYSA-N 0 0 478.950 4.928 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccnc(Cl)c1)C[C@H]2c1ccccc1 ZINC001164909095 721739046 /nfs/dbraw/zinc/73/90/46/721739046.db2.gz BCIGLCHZEPOPJI-REWPJTCUSA-N 0 0 454.908 4.702 20 0 JJADRN 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/nfs/dbraw/zinc/79/37/36/721793736.db2.gz ZXBVYDQNONHWDE-UTKZUKDTSA-N 0 0 454.908 4.750 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915048 721803066 /nfs/dbraw/zinc/80/30/66/721803066.db2.gz HHDFSQREGFREKL-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCc5ncnc(C6CC6)c5CC4)c23)C1 ZINC001164914801 721804121 /nfs/dbraw/zinc/80/41/21/721804121.db2.gz GPURTBBGJHSZOI-KRWDZBQOSA-N 0 0 474.678 4.685 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914789 721806327 /nfs/dbraw/zinc/80/63/27/721806327.db2.gz GJJYBZOKVQEOIZ-MGPUTAFESA-N 0 0 467.303 4.693 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918269 721808098 /nfs/dbraw/zinc/80/80/98/721808098.db2.gz QEYOGEIZORFOBH-HXOBKFHXSA-N 0 0 488.922 4.562 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918190 721808130 /nfs/dbraw/zinc/80/81/30/721808130.db2.gz PJZIICDOGJFSEL-OPAMFIHVSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164919589 721809393 /nfs/dbraw/zinc/80/93/93/721809393.db2.gz ZTZHYURRRULTKA-NJZAAPMLSA-N 0 0 472.970 4.547 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915397 721811025 /nfs/dbraw/zinc/81/10/25/721811025.db2.gz AGHFDPRTBSKGJK-ZWDAVXSWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164915396 721811177 /nfs/dbraw/zinc/81/11/77/721811177.db2.gz AGHFDPRTBSKGJK-XWFZLUIHSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164916725 721811438 /nfs/dbraw/zinc/81/14/38/721811438.db2.gz IZJPSYMKOVUDER-NORZTCDRSA-N 0 0 483.890 4.956 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917085 721811471 /nfs/dbraw/zinc/81/14/71/721811471.db2.gz KGOUXIZWOSCORZ-NBHGPNQESA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1)C1(c2ccc(Cl)nc2)CC1 ZINC001164918860 721811694 /nfs/dbraw/zinc/81/16/94/721811694.db2.gz UGRRRLPPRBLPIG-ZSZQSSIHSA-N 0 0 455.958 4.512 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3F)nc3ccc(C)cc32)CC1 ZINC001164918282 721816583 /nfs/dbraw/zinc/81/65/83/721816583.db2.gz LSDNNIGUCRYMPU-UHFFFAOYSA-N 0 0 456.569 4.690 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC001164917810 721819585 /nfs/dbraw/zinc/81/95/85/721819585.db2.gz HVJLOORJYSLVRQ-UHFFFAOYSA-N 0 0 476.675 4.855 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001165020908 721832857 /nfs/dbraw/zinc/83/28/57/721832857.db2.gz FRNFSKBMJLTGCG-UHFFFAOYSA-N 0 0 450.823 4.597 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164926861 721835346 /nfs/dbraw/zinc/83/53/46/721835346.db2.gz SSTLKGXFSFSQNT-BTYIYWSLSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164928157 721837522 /nfs/dbraw/zinc/83/75/22/721837522.db2.gz WXRMKZYLFAYFDK-JTSKRJEESA-N 0 0 475.927 4.594 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164922281 721839779 /nfs/dbraw/zinc/83/97/79/721839779.db2.gz GVISDGJTYRLPGT-XIKOKIGWSA-N 0 0 464.727 4.651 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2c[nH]c3nc(Cl)ccc23)CC1 ZINC001165021324 721841171 /nfs/dbraw/zinc/84/11/71/721841171.db2.gz LMTOCKZCIXTYJY-UHFFFAOYSA-N 0 0 464.944 4.879 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164922029 721841398 /nfs/dbraw/zinc/84/13/98/721841398.db2.gz PTWBZCXGWUZHNN-GAJHUEQPSA-N 0 0 490.913 4.546 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927160 721898545 /nfs/dbraw/zinc/89/85/45/721898545.db2.gz HDDCICOBLOVOEP-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927049 721898652 /nfs/dbraw/zinc/89/86/52/721898652.db2.gz FTUZMRBBXFIVLB-HSZRJFAPSA-N 0 0 467.907 4.897 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927162 721898664 /nfs/dbraw/zinc/89/86/64/721898664.db2.gz HDDCICOBLOVOEP-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930065 721898899 /nfs/dbraw/zinc/89/88/99/721898899.db2.gz YSHIMGKWEIRHEU-DEOSSOPVSA-N 0 0 495.917 4.843 20 0 JJADRN FC(F)(N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12)C1(c2ccnc(Cl)c2)CC1 ZINC001164926544 721899107 /nfs/dbraw/zinc/89/91/07/721899107.db2.gz DCJVQIKYEFDPJM-HSZRJFAPSA-N 0 0 468.935 4.990 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccccc21)N1CCCC1 ZINC001164927073 721899332 /nfs/dbraw/zinc/89/93/32/721899332.db2.gz GBELUNZBXCVHBM-UHFFFAOYSA-N 0 0 461.915 4.977 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164936013 721910761 /nfs/dbraw/zinc/91/07/61/721910761.db2.gz SGLOLLGTFKCRQR-WBMJQRKESA-N 0 0 481.305 4.972 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164939091 721911150 /nfs/dbraw/zinc/91/11/50/721911150.db2.gz MCOCYCZTNAZTFR-KUHUBIRLSA-N 0 0 490.888 4.971 20 0 JJADRN O=C(CO[C@H]1CO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1)N1CCCC1 ZINC001164939589 721919640 /nfs/dbraw/zinc/91/96/40/721919640.db2.gz VEKJMFZCQPMVPA-HYBUGGRVSA-N 0 0 498.014 4.704 20 0 JJADRN O=C(CO[C@@H]1CO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1)N1CCCC1 ZINC001164939588 721919852 /nfs/dbraw/zinc/91/98/52/721919852.db2.gz VEKJMFZCQPMVPA-GBXCKJPGSA-N 0 0 498.014 4.704 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H](c4ccncc4)C3)c2c1C ZINC001165040387 721929006 /nfs/dbraw/zinc/92/90/06/721929006.db2.gz BVJSFGLYWONJQU-IBGZPJMESA-N 0 0 465.623 4.551 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164943921 721949413 /nfs/dbraw/zinc/94/94/13/721949413.db2.gz PRNWHCNQGBRNFM-ZEQRLZLVSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@H]21 ZINC001164943257 721955817 /nfs/dbraw/zinc/95/58/17/721955817.db2.gz HHPKICRVUYZZFJ-DNQXCXABSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@H]21 ZINC001164943259 721955944 /nfs/dbraw/zinc/95/59/44/721955944.db2.gz HHPKICRVUYZZFJ-RPWUZVMVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C[C@@H]21 ZINC001164942720 721956042 /nfs/dbraw/zinc/95/60/42/721956042.db2.gz FOJRHJXCZHMGHC-UIOOFZCWSA-N 0 0 469.589 4.608 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C[C@H]21 ZINC001164942699 721956119 /nfs/dbraw/zinc/95/61/19/721956119.db2.gz FOJRHJXCZHMGHC-CLJLJLNGSA-N 0 0 469.589 4.608 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164942510 721956409 /nfs/dbraw/zinc/95/64/09/721956409.db2.gz DYBCTMBYYYMFQA-RTBURBONSA-N 0 0 493.658 4.603 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164942506 721956532 /nfs/dbraw/zinc/95/65/32/721956532.db2.gz DYBCTMBYYYMFQA-OALUTQOASA-N 0 0 493.658 4.603 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC001164942622 721960563 /nfs/dbraw/zinc/96/05/63/721960563.db2.gz FEFNQROINXKBAF-FCHUYYIVSA-N 0 0 492.929 4.780 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]12 ZINC001164942366 721965166 /nfs/dbraw/zinc/96/51/66/721965166.db2.gz BIVTZTKRZPXICO-NFBKMPQASA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@@H]12 ZINC001164946346 721965549 /nfs/dbraw/zinc/96/55/49/721965549.db2.gz NQFMKEGUUXIZAD-XXBNENTESA-N 0 0 474.914 4.736 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]12 ZINC001164948777 721965778 /nfs/dbraw/zinc/96/57/78/721965778.db2.gz VIDXURDNEUCMJA-FYYLOGMGSA-N 0 0 456.924 4.597 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)n1 ZINC001164949918 721967271 /nfs/dbraw/zinc/96/72/71/721967271.db2.gz ZITIEPDWXRBJGP-NEKDWFFYSA-N 0 0 491.705 4.919 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@H]12 ZINC001164944790 721967400 /nfs/dbraw/zinc/96/74/00/721967400.db2.gz JLGUJCVKQXUXSV-JTHBVZDNSA-N 0 0 472.923 4.704 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]12 ZINC001164949800 721967677 /nfs/dbraw/zinc/96/76/77/721967677.db2.gz YSVPVXLFGRTJIK-ZJSXRUAMSA-N 0 0 483.950 4.506 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164947741 721978071 /nfs/dbraw/zinc/97/80/71/721978071.db2.gz RYUFDBHWCMUXNJ-UHFFFAOYSA-N 0 0 489.781 4.558 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(Cl)nn1 ZINC001165051846 721993988 /nfs/dbraw/zinc/99/39/88/721993988.db2.gz MXSBWACXFMEAMA-CQSZACIVSA-N 0 0 453.917 4.909 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@@H]21 ZINC001164953550 722003729 /nfs/dbraw/zinc/00/37/29/722003729.db2.gz RCSOTBUGGJHFGI-FCHUYYIVSA-N 0 0 497.046 4.865 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001164953998 722004858 /nfs/dbraw/zinc/00/48/58/722004858.db2.gz UMGHZRQWYJHZDG-ROUUACIJSA-N 0 0 478.934 4.914 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)c(Cl)n1 ZINC001164953557 722005028 /nfs/dbraw/zinc/00/50/28/722005028.db2.gz REMRHRJOKJDIRG-HZPDHXFCSA-N 0 0 472.923 4.633 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001164950001 722005580 /nfs/dbraw/zinc/00/55/80/722005580.db2.gz BATXKBZXCMWMMO-CVEARBPZSA-N 0 0 473.911 4.549 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164950984 722006339 /nfs/dbraw/zinc/00/63/39/722006339.db2.gz FTYWIOPJLKVSEO-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)c(Cl)n1 ZINC001164954541 722006639 /nfs/dbraw/zinc/00/66/39/722006639.db2.gz XXIISNYJUKBVHW-UHFFFAOYSA-N 0 0 487.938 4.582 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cs1 ZINC001164953691 722006951 /nfs/dbraw/zinc/00/69/51/722006951.db2.gz TWQFYJJHHIHEAT-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)n1 ZINC001164962145 722025799 /nfs/dbraw/zinc/02/57/99/722025799.db2.gz QCOQXXUKFLMNNX-XLIONFOSSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)n1 ZINC001164960646 722026343 /nfs/dbraw/zinc/02/63/43/722026343.db2.gz MCLOWFFEROMOHG-FXAWDEMLSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)n1 ZINC001164961223 722026414 /nfs/dbraw/zinc/02/64/14/722026414.db2.gz MCLOWFFEROMOHG-YLJYHZDGSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(Cl)ncc2F)C3)n1 ZINC001164964137 722026510 /nfs/dbraw/zinc/02/65/10/722026510.db2.gz VNVRELSJOPSZIA-TZIWHRDSSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ccc2F)C3)n1 ZINC001164964312 722026523 /nfs/dbraw/zinc/02/65/23/722026523.db2.gz WHNSLNYRITVUHC-GHTZIAJQSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)cc2C)C3)n1 ZINC001164961399 722026572 /nfs/dbraw/zinc/02/65/72/722026572.db2.gz NPJPMZGLOKXMLZ-IRLDBZIGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)cc2C)C3)n1 ZINC001164961397 722026665 /nfs/dbraw/zinc/02/66/65/722026665.db2.gz NPJPMZGLOKXMLZ-IFMALSPDSA-N 0 0 451.945 4.884 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164958677 722028939 /nfs/dbraw/zinc/02/89/39/722028939.db2.gz PIRLOLFJGAAVLU-UXLLHSPISA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164958673 722029056 /nfs/dbraw/zinc/02/90/56/722029056.db2.gz PIRLOLFJGAAVLU-BFYDXBDKSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164957508 722029411 /nfs/dbraw/zinc/02/94/11/722029411.db2.gz MMCLQUAVTSRNMU-MJBXVCDLSA-N 0 0 468.690 4.936 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164957847 722029719 /nfs/dbraw/zinc/02/97/19/722029719.db2.gz NMRKOAUVIZTDAO-SFHLNBCPSA-N 0 0 476.886 4.691 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164961559 722033770 /nfs/dbraw/zinc/03/37/70/722033770.db2.gz WIJIUSXGRWHAPD-QPPBQGQZSA-N 0 0 484.934 4.755 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164962415 722034242 /nfs/dbraw/zinc/03/42/42/722034242.db2.gz XJFKKDMJNLDKRD-FZKQIMNGSA-N 0 0 461.727 4.515 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164956318 722034820 /nfs/dbraw/zinc/03/48/20/722034820.db2.gz DVAVORQOWOYOOC-WIOPSUGQSA-N 0 0 498.961 4.787 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164956512 722035482 /nfs/dbraw/zinc/03/54/82/722035482.db2.gz HJMGSUZNUSTOOC-HYBUGGRVSA-N 0 0 483.950 4.578 20 0 JJADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001164964471 722040036 /nfs/dbraw/zinc/04/00/36/722040036.db2.gz VIRQHOWXJSKDMN-YRWFTTLQSA-N 0 0 456.924 4.702 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3O2)n1 ZINC001164962249 722042385 /nfs/dbraw/zinc/04/23/85/722042385.db2.gz OAQKPCMTSMMYAS-DKSSEZFCSA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3O2)n1 ZINC001164962252 722042419 /nfs/dbraw/zinc/04/24/19/722042419.db2.gz OAQKPCMTSMMYAS-UCLAIMLFSA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3O2)n1 ZINC001164960100 722042448 /nfs/dbraw/zinc/04/24/48/722042448.db2.gz JADWNWGYPYPFPM-LJHODMEESA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3O2)n1 ZINC001164960441 722043281 /nfs/dbraw/zinc/04/32/81/722043281.db2.gz KTEVCEDYFHTSLR-INWMFGNUSA-N 0 0 452.914 4.536 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)CC2=O)s1 ZINC001164965626 722043863 /nfs/dbraw/zinc/04/38/63/722043863.db2.gz ZQBVZNYECORYLU-SFHVURJKSA-N 0 0 454.955 4.893 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)CC2=O)s1 ZINC001164965451 722044155 /nfs/dbraw/zinc/04/41/55/722044155.db2.gz YVXYNOSEYSULMG-NRFANRHFSA-N 0 0 475.952 4.740 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)CC2=O)s1 ZINC001164963491 722044522 /nfs/dbraw/zinc/04/45/22/722044522.db2.gz RCSGMKUTNAHYAW-FQEVSTJZSA-N 0 0 464.925 4.938 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)c(Cl)nn2)cc1 ZINC001164960425 722048947 /nfs/dbraw/zinc/04/89/47/722048947.db2.gz WDDHQZIDMWDAPJ-LPHOPBHVSA-N 0 0 458.896 4.594 20 0 JJADRN FC(F)(Oc1ccnc(Cl)c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956963 722049989 /nfs/dbraw/zinc/04/99/89/722049989.db2.gz FWQOZCVIFHSERE-UHFFFAOYSA-N 0 0 456.884 4.648 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@H]3C)c1 ZINC001164964462 722062713 /nfs/dbraw/zinc/06/27/13/722062713.db2.gz GXXLHQIDDDRKEY-ZDUSSCGKSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccnc(Cl)c2F)[C@@H]3C)c1 ZINC001164966455 722062821 /nfs/dbraw/zinc/06/28/21/722062821.db2.gz UDCXUPKTQQXREB-CQSZACIVSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)cc1 ZINC001164965491 722065908 /nfs/dbraw/zinc/06/59/08/722065908.db2.gz KJPBLBLXMZPVIX-RBUKOAKNSA-N 0 0 475.952 4.600 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)c1 ZINC001164966275 722066073 /nfs/dbraw/zinc/06/60/73/722066073.db2.gz POTDYTDFDYRHLQ-RBUKOAKNSA-N 0 0 475.952 4.600 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)Cc2ccccc2CNC3=O)n1 ZINC001164967401 722078537 /nfs/dbraw/zinc/07/85/37/722078537.db2.gz DWLJRJYSXJZMJR-UHFFFAOYSA-N 0 0 497.668 4.879 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)CC[C@@H]21 ZINC001164968655 722081325 /nfs/dbraw/zinc/08/13/25/722081325.db2.gz CYTXXOLRDKWTMC-KPFFTGBYSA-N 0 0 491.995 4.721 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164970210 722082098 /nfs/dbraw/zinc/08/20/98/722082098.db2.gz OJIMLMQOUMCCLC-PZJWPPBQSA-N 0 0 489.925 4.826 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@H]2C1 ZINC001164976651 722085087 /nfs/dbraw/zinc/08/50/87/722085087.db2.gz VZSRSBWDHTUPJZ-CHWSQXEVSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@@H]2C1 ZINC001164976661 722085136 /nfs/dbraw/zinc/08/51/36/722085136.db2.gz VZSRSBWDHTUPJZ-STQMWFEESA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]2C1 ZINC001164970034 722085701 /nfs/dbraw/zinc/08/57/01/722085701.db2.gz BWRRYRMMNZOZSU-BTTYYORXSA-N 0 0 452.958 4.535 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@H]2C1 ZINC001164977842 722086004 /nfs/dbraw/zinc/08/60/04/722086004.db2.gz YIYKGAGBHASMNS-BJWYYQGGSA-N 0 0 461.940 4.958 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164978447 722086137 /nfs/dbraw/zinc/08/61/37/722086137.db2.gz YYFFHENIOIXHCM-BCDXTJNWSA-N 0 0 460.956 4.781 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C[C@@H]2C1 ZINC001164972671 722086157 /nfs/dbraw/zinc/08/61/57/722086157.db2.gz MIYDMGLQIDCPFD-HOTGVXAUSA-N 0 0 464.919 4.612 20 0 JJADRN CC(C)C(=O)N1CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164979376 722088722 /nfs/dbraw/zinc/08/87/22/722088722.db2.gz ZDZULSSAYWYUTB-XMMPIXPASA-N 0 0 497.030 4.671 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]21 ZINC001164982109 722097667 /nfs/dbraw/zinc/09/76/67/722097667.db2.gz MVPLSYKZLZLVOZ-WAOWUJCRSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001164976498 722097833 /nfs/dbraw/zinc/09/78/33/722097833.db2.gz DNYNOGMFAFMPBF-XQBPLPMBSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]21 ZINC001164982824 722097907 /nfs/dbraw/zinc/09/79/07/722097907.db2.gz PGELQUGWHWOKBQ-TWOQFEAHSA-N 0 0 489.979 4.949 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4[C@@H](NC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164979144 722098003 /nfs/dbraw/zinc/09/80/03/722098003.db2.gz HFLAEYVBPHHHOD-PQNGQFLHSA-N 0 0 492.693 4.696 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]21 ZINC001164985817 722098036 /nfs/dbraw/zinc/09/80/36/722098036.db2.gz WZAFUTWOKQLEDP-NNMXDRDESA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nccc4c3)C[C@@H]21 ZINC001164979263 722098103 /nfs/dbraw/zinc/09/81/03/722098103.db2.gz HSFJWCMEDOPDGD-PCCBWWKXSA-N 0 0 456.924 4.979 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c(Cl)n1 ZINC001164972570 722160722 /nfs/dbraw/zinc/16/07/22/722160722.db2.gz IMJRRHPSFIWTEH-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN O=C1CC2(CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)c2ccccc2N1CC1CC1 ZINC001164971222 722161292 /nfs/dbraw/zinc/16/12/92/722161292.db2.gz BDBWJJCSPPTVFR-UHFFFAOYSA-N 0 0 472.967 4.849 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C3)c3ccccc3N(C)C4=O)c(Cl)nn2)cc1 ZINC001164980587 722163145 /nfs/dbraw/zinc/16/31/45/722163145.db2.gz NPWKBNOYSNLCHR-QHCPKHFHSA-N 0 0 454.908 4.775 20 0 JJADRN Clc1nc2c(c(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164977598 722164619 /nfs/dbraw/zinc/16/46/19/722164619.db2.gz GEWQXMAUKLZSGQ-AMGIVPHBSA-N 0 0 483.056 4.981 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164974368 722165384 /nfs/dbraw/zinc/16/53/84/722165384.db2.gz FNWNYBUOGKIXER-HNAYVOBHSA-N 0 0 450.357 4.749 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164982564 722165393 /nfs/dbraw/zinc/16/53/93/722165393.db2.gz WNIKWZFWYVKSGH-IERDGZPVSA-N 0 0 452.933 4.558 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164974589 722166317 /nfs/dbraw/zinc/16/63/17/722166317.db2.gz GFSCNROWEOAGSL-UWJYYQICSA-N 0 0 468.932 4.665 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976193 722166684 /nfs/dbraw/zinc/16/66/84/722166684.db2.gz KHHMWRKOBNGNAL-FOIQADDNSA-N 0 0 472.989 4.705 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc1Cl ZINC001164978767 722170233 /nfs/dbraw/zinc/17/02/33/722170233.db2.gz SFFSZDCPJSMEBJ-QYZOEREBSA-N 0 0 463.912 4.553 20 0 JJADRN c1ccc(CN2CCc3ncnc(N4C[C@@H]5[C@@H](OCC6CC6)c6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164973967 722170503 /nfs/dbraw/zinc/17/05/03/722170503.db2.gz DIVBYVBKAXMSIL-QQNWGBJXSA-N 0 0 452.602 4.736 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)CC[C@@H]32)cs1 ZINC001164984142 722176205 /nfs/dbraw/zinc/17/62/05/722176205.db2.gz DCXUXDDYMOEFJB-IRXDYDNUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@@H]32)cs1 ZINC001164989978 722180802 /nfs/dbraw/zinc/18/08/02/722180802.db2.gz MZPIVBHWZHLQBY-LOSJGSFVSA-N 0 0 498.656 4.840 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cncc(Sc5cccc(C)c5)n4)CC[C@@H]32)cs1 ZINC001164989897 722184555 /nfs/dbraw/zinc/18/45/55/722184555.db2.gz MMCAQNCGRLTMKD-FCHUYYIVSA-N 0 0 467.664 4.571 20 0 JJADRN CCCCOc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c(Cl)c1 ZINC001164992892 722184582 /nfs/dbraw/zinc/18/45/82/722184582.db2.gz XRCADDXCWITQIP-NHCUHLMSSA-N 0 0 451.036 4.549 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[C@@H]32)cs1 ZINC001164986656 722185310 /nfs/dbraw/zinc/18/53/10/722185310.db2.gz GBDRIKGLSHZQKX-ICSRJNTNSA-N 0 0 495.983 4.570 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[C@H]32)cs1 ZINC001164986658 722185322 /nfs/dbraw/zinc/18/53/22/722185322.db2.gz GBDRIKGLSHZQKX-QUCCMNQESA-N 0 0 495.983 4.570 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC[C@@H]32)cs1 ZINC001164987383 722185523 /nfs/dbraw/zinc/18/55/23/722185523.db2.gz KCVLMMAVQJPSDF-SFTDATJTSA-N 0 0 470.042 4.740 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)CC[C@H]32)cs1 ZINC001164988173 722185653 /nfs/dbraw/zinc/18/56/53/722185653.db2.gz MKXDIDCGKCPLBQ-UXHICEINSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)CC[C@@H]32)cs1 ZINC001164985269 722186236 /nfs/dbraw/zinc/18/62/36/722186236.db2.gz AZMHMGTWMYWLCF-JKSUJKDBSA-N 0 0 496.933 4.933 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5c(Cl)cccc5nc4Cl)CC[C@H]32)cs1 ZINC001164987321 722186251 /nfs/dbraw/zinc/18/62/51/722186251.db2.gz JMJGLLSCYCWLAM-QZTJIDSGSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5c(Cl)cccc5nc4Cl)CC[C@@H]32)cs1 ZINC001164987323 722186323 /nfs/dbraw/zinc/18/63/23/722186323.db2.gz JMJGLLSCYCWLAM-ZWKOTPCHSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)CC[C@H]32)cs1 ZINC001164986045 722186500 /nfs/dbraw/zinc/18/65/00/722186500.db2.gz CWXZLLNXFIMSIC-TZIWHRDSSA-N 0 0 490.004 4.696 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]12 ZINC001164993364 722187089 /nfs/dbraw/zinc/18/70/89/722187089.db2.gz ZAQUODHAIXKDNA-NFBKMPQASA-N 0 0 491.991 4.615 20 0 JJADRN 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ZINC001164993031 722187763 /nfs/dbraw/zinc/18/77/63/722187763.db2.gz XSFCWHPSHUKPSM-LJQANCHMSA-N 0 0 493.982 4.928 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC1)C(=O)N2 ZINC001164990824 722187850 /nfs/dbraw/zinc/18/78/50/722187850.db2.gz NZNBECYTNHMWBD-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001164992078 722189232 /nfs/dbraw/zinc/18/92/32/722189232.db2.gz VGSNXMYNMJICDJ-UHFFFAOYSA-N 0 0 472.923 4.962 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)n1 ZINC001164997383 722221015 /nfs/dbraw/zinc/22/10/15/722221015.db2.gz CTJJFWXGFUBLBE-LJQANCHMSA-N 0 0 478.996 4.977 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cnc1Cl ZINC001164999434 722221370 /nfs/dbraw/zinc/22/13/70/722221370.db2.gz QZPLWKQKMUOECZ-FQEVSTJZSA-N 0 0 489.950 4.647 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001165000246 722221639 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GVZZNLFPWFOUBD-UHFFFAOYSA-N 0 0 496.949 4.738 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CCO2 ZINC001165001165 722249100 /nfs/dbraw/zinc/24/91/00/722249100.db2.gz NDMLNTVXMVANPG-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cnc1Cl ZINC001165005926 722271469 /nfs/dbraw/zinc/27/14/69/722271469.db2.gz KLDWRIYXMOUEJZ-VQTJNVASSA-N 0 0 450.913 4.683 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165005803 722271675 /nfs/dbraw/zinc/27/16/75/722271675.db2.gz KETLMPIDDIONIY-RBUKOAKNSA-N 0 0 450.913 4.683 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)c(Cl)n1 ZINC001165007006 722271760 /nfs/dbraw/zinc/27/17/60/722271760.db2.gz SVRDKHJCIOMXIA-WOJBJXKFSA-N 0 0 450.913 4.683 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@H](OCc4csc(C)n4)CO3)CC2)n1 ZINC001165007863 722272258 /nfs/dbraw/zinc/27/22/58/722272258.db2.gz YNZXIWHICLIQEX-AWEZNQCLSA-N 0 0 477.002 4.506 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2nc4ccsc4c(Cl)n2)CC3)cs1 ZINC001165007963 722272600 /nfs/dbraw/zinc/27/26/00/722272600.db2.gz ZISXNJAPVSGUTH-AWEZNQCLSA-N 0 0 486.997 4.999 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009328 722273530 /nfs/dbraw/zinc/27/35/30/722273530.db2.gz OWIHTIWHMVTGNM-AUJRIZCKSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007490 722273535 /nfs/dbraw/zinc/27/35/35/722273535.db2.gz CMUANMXUNJWVSW-VOWSPCBNSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007162 722273930 /nfs/dbraw/zinc/27/39/30/722273930.db2.gz BUDGHDGVHGULAK-XLHILCRZSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010303 722274001 /nfs/dbraw/zinc/27/40/01/722274001.db2.gz VFDYRZHQYJKUEH-ZNRXUEPQSA-N 0 0 487.938 4.626 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)cc(I)c1C)[C@H]1CC1(C)C ZINC001436877544 1065462589 /nfs/dbraw/zinc/46/25/89/1065462589.db2.gz CAMUOYDPNWFQME-TZMCWYRMSA-N 0 0 450.158 4.917 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(I)c2Br)[C@H]2CCCC[C@H]12 ZINC001446738686 1066734603 /nfs/dbraw/zinc/73/46/03/1066734603.db2.gz HJOCFDASTMRBMM-KKZNHRDASA-N 0 0 454.171 4.766 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359711968 1064260289 /nfs/dbraw/zinc/26/02/89/1064260289.db2.gz ZTCMGPQPDYSSHV-FYYLOGMGSA-N 0 0 488.076 4.859 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCc1ccc(Cl)s1 ZINC001359711959 1064260530 /nfs/dbraw/zinc/26/05/30/1064260530.db2.gz ZJBPQEIBWHGRBR-UHFFFAOYSA-N 0 0 476.021 4.851 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1ccc(Cl)cc1OC ZINC001545850076 1064261230 /nfs/dbraw/zinc/26/12/30/1064261230.db2.gz YSZLYZCYSFAGMN-ORYQWCPZSA-N 0 0 474.049 4.922 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CC(C)(C)C(F)(F)F 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GLJDMYAKHPWQQA-NSHDSACASA-N 0 0 459.490 4.712 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CC1(CC(C)C)CC1 ZINC001545857431 1064266592 /nfs/dbraw/zinc/26/65/92/1064266592.db2.gz WKRPXINWBVZGNM-LJQANCHMSA-N 0 0 453.631 4.810 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC001545858867 1064266848 /nfs/dbraw/zinc/26/68/48/1064266848.db2.gz ZBEFXDCOHCFGLD-CVEARBPZSA-N 0 0 454.571 4.696 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 ZINC001545858868 1064267059 /nfs/dbraw/zinc/26/70/59/1064267059.db2.gz ZBEFXDCOHCFGLD-HOTGVXAUSA-N 0 0 454.571 4.696 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1Cc1cccc(Br)n1 ZINC001359719730 1064267282 /nfs/dbraw/zinc/26/72/82/1064267282.db2.gz VUYBTKDJTDKXNQ-UHFFFAOYSA-N 0 0 489.849 4.583 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CC1(OC)CCC(C)CC1 ZINC001545859447 1064267950 /nfs/dbraw/zinc/26/79/50/1064267950.db2.gz NGRFVFOOKNWWMY-UHFFFAOYSA-N 0 0 459.679 4.974 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001545859676 1064268225 /nfs/dbraw/zinc/26/82/25/1064268225.db2.gz RGBNQCSUQJTEPN-UHFFFAOYSA-N 0 0 484.592 4.903 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359722695 1064269031 /nfs/dbraw/zinc/26/90/31/1064269031.db2.gz AQQKJJSGZUKIDB-VQIMIIECSA-N 0 0 464.010 4.546 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCc1sc(C)nc1C ZINC001545860959 1064269056 /nfs/dbraw/zinc/26/90/56/1064269056.db2.gz LIEMRBGRZQLYBZ-UHFFFAOYSA-N 0 0 494.665 4.512 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1CC1(OC)CCCCC1 ZINC001545860830 1064269095 /nfs/dbraw/zinc/26/90/95/1064269095.db2.gz GWMJLBMPBKFMCR-UHFFFAOYSA-N 0 0 495.668 4.645 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CC[S@](=O)C(C)(C)C ZINC001359722698 1064269121 /nfs/dbraw/zinc/26/91/21/1064269121.db2.gz ARUHFQZTFFIRQD-JJCDCTGGSA-N 0 0 473.470 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001545862122 1064269638 /nfs/dbraw/zinc/26/96/38/1064269638.db2.gz AOIXFLHWEWWHMF-VWLOTQADSA-N 0 0 476.065 4.630 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001359723239 1064270123 /nfs/dbraw/zinc/27/01/23/1064270123.db2.gz NEHUKWUFWYFXAU-GTCCEBARSA-N 0 0 452.521 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001545862626 1064270636 /nfs/dbraw/zinc/27/06/36/1064270636.db2.gz NVWHXDNYCBIKNJ-UHFFFAOYSA-N 0 0 469.527 4.674 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359723430 1064270705 /nfs/dbraw/zinc/27/07/05/1064270705.db2.gz RQOUBZYZIDQBDO-MRXNPFEDSA-N 0 0 469.508 4.837 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359723706 1064271279 /nfs/dbraw/zinc/27/12/79/1064271279.db2.gz XOLFCBXSQPNNFC-LJQANCHMSA-N 0 0 464.010 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1c(F)cccc1OC(F)F ZINC001545862927 1064271297 /nfs/dbraw/zinc/27/12/97/1064271297.db2.gz XAIGBECXURDUKM-OAHLLOKOSA-N 0 0 481.563 4.858 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359723940 1064271751 /nfs/dbraw/zinc/27/17/51/1064271751.db2.gz CKDXRJYAYQAFHN-BJLQDIEVSA-N 0 0 452.521 4.979 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359723942 1064271783 /nfs/dbraw/zinc/27/17/83/1064271783.db2.gz CKDXRJYAYQAFHN-HBFSDRIKSA-N 0 0 452.521 4.979 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCOc1cccc(F)c1 ZINC001359724114 1064271910 /nfs/dbraw/zinc/27/19/10/1064271910.db2.gz GKNYCPROSOKFGH-IBGZPJMESA-N 0 0 473.618 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC1(C)CCC1 ZINC001545864549 1064272367 /nfs/dbraw/zinc/27/23/67/1064272367.db2.gz VNBRHJIIJCPHOK-UHFFFAOYSA-N 0 0 469.474 4.708 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCCc2ccncc2C)c1=S ZINC001545865120 1064272617 /nfs/dbraw/zinc/27/26/17/1064272617.db2.gz OUYNSRDNLDRBJJ-UHFFFAOYSA-N 0 0 458.031 4.987 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359725053 1064272944 /nfs/dbraw/zinc/27/29/44/1064272944.db2.gz ZMBDOOOUPXWVDA-MRXNPFEDSA-N 0 0 492.596 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001545865800 1064274405 /nfs/dbraw/zinc/27/44/05/1064274405.db2.gz MMWDZZLHUYNVJZ-XDHUDOTRSA-N 0 0 495.590 4.519 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccsc1 ZINC001359727798 1064274960 /nfs/dbraw/zinc/27/49/60/1064274960.db2.gz HNTCWOJLOSMZRW-WOJBJXKFSA-N 0 0 459.660 4.835 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@H]1CSc2ccccc21 ZINC001545865821 1064275096 /nfs/dbraw/zinc/27/50/96/1064275096.db2.gz MVWZJRXUYXWZIY-MSOLQXFVSA-N 0 0 455.672 4.958 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001545865956 1064275742 /nfs/dbraw/zinc/27/57/42/1064275742.db2.gz QJGDIOIZCWEJKV-SSOJOUAXSA-N 0 0 476.065 4.630 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CCCOC3CCCCC3)CC2)n1 ZINC001359728384 1064275985 /nfs/dbraw/zinc/27/59/85/1064275985.db2.gz CCQSKMZWZMGGBN-HXUWFJFHSA-N 0 0 473.666 4.531 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCc3ccsc3)CC2)n1 ZINC001359728412 1064276085 /nfs/dbraw/zinc/27/60/85/1064276085.db2.gz CPZHZFAAKBSOCX-SFHVURJKSA-N 0 0 471.675 4.561 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccccc1Br ZINC001545866119 1064276217 /nfs/dbraw/zinc/27/62/17/1064276217.db2.gz VSQKGUSDPLUBHD-INIZCTEOSA-N 0 0 476.463 4.880 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cc(Cl)cn2)C1 ZINC001359728529 1064276652 /nfs/dbraw/zinc/27/66/52/1064276652.db2.gz FQBMEWPOLDTQNB-QGZVFWFLSA-N 0 0 464.948 4.969 20 0 JJADRN 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CC(C)c1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC3(C)CCCC3)CC2)n1 ZINC001359729088 1064278563 /nfs/dbraw/zinc/27/85/63/1064278563.db2.gz RZJCNFYDISNEBZ-LJQANCHMSA-N 0 0 457.667 4.837 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545868238 1064278704 /nfs/dbraw/zinc/27/87/04/1064278704.db2.gz NMWPLNAEPWRNNZ-OXJNMPFZSA-N 0 0 481.563 4.811 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545868216 1064278733 /nfs/dbraw/zinc/27/87/33/1064278733.db2.gz NFAMDGLNEXWMKD-UZLBHIALSA-N 0 0 481.563 4.811 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545868215 1064278803 /nfs/dbraw/zinc/27/88/03/1064278803.db2.gz NFAMDGLNEXWMKD-OXQOHEQNSA-N 0 0 481.563 4.811 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCCCO4)n3CCCC(C)(C)C)CC2)n1 ZINC001359729344 1064279181 /nfs/dbraw/zinc/27/91/81/1064279181.db2.gz XMSLWXSZUUAJRD-WOJBJXKFSA-N 0 0 473.666 4.736 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001545868463 1064280017 /nfs/dbraw/zinc/28/00/17/1064280017.db2.gz QSLLEQJDUGWHDC-VQTJNVASSA-N 0 0 494.684 4.856 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359730195 1064281699 /nfs/dbraw/zinc/28/16/99/1064281699.db2.gz PKIBIAINDACIGW-LJQANCHMSA-N 0 0 474.531 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1C[C@H](C)c1ncc(C)s1 ZINC001545870054 1064282050 /nfs/dbraw/zinc/28/20/50/1064282050.db2.gz FOQRJSIVYQWYGM-FXAWDEMLSA-N 0 0 496.681 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001545870057 1064282110 /nfs/dbraw/zinc/28/21/10/1064282110.db2.gz FOQRJSIVYQWYGM-YLJYHZDGSA-N 0 0 496.681 4.768 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359730824 1064282431 /nfs/dbraw/zinc/28/24/31/1064282431.db2.gz CBKMSQJJVLQGTP-NRFANRHFSA-N 0 0 455.622 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CCSc1ccc(C)cc1 ZINC001545870159 1064282814 /nfs/dbraw/zinc/28/28/14/1064282814.db2.gz IAAQVMNFTWKTHG-LJQANCHMSA-N 0 0 467.639 4.884 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CCc1scnc1C ZINC001545870339 1064283502 /nfs/dbraw/zinc/28/35/02/1064283502.db2.gz MCGKKTOYOMCUFI-HXUWFJFHSA-N 0 0 466.655 4.506 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001359731286 1064283552 /nfs/dbraw/zinc/28/35/52/1064283552.db2.gz JWJGTGXGZUTTPQ-NRFANRHFSA-N 0 0 460.066 4.506 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1C[C@H](C)c1c(C)noc1C ZINC001545870419 1064283867 /nfs/dbraw/zinc/28/38/67/1064283867.db2.gz NISPGELENSXKBR-JXFKEZNVSA-N 0 0 482.604 4.738 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001359731527 1064284317 /nfs/dbraw/zinc/28/43/17/1064284317.db2.gz OBIZSXOTHDOVRU-YADHBBJMSA-N 0 0 473.662 4.612 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359731492 1064284374 /nfs/dbraw/zinc/28/43/74/1064284374.db2.gz NCYKTNYFLXBFBB-NRFANRHFSA-N 0 0 495.672 4.646 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCc2cc(C(F)(F)F)ccn2)C1 ZINC001359731426 1064284452 /nfs/dbraw/zinc/28/44/52/1064284452.db2.gz LYBQNCSJJKPRSY-IBGZPJMESA-N 0 0 458.532 4.793 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001359731524 1064284461 /nfs/dbraw/zinc/28/44/61/1064284461.db2.gz OBIZSXOTHDOVRU-FCHUYYIVSA-N 0 0 473.662 4.612 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@@H](C)Oc1ccc(C)cc1 ZINC001545870457 1064284560 /nfs/dbraw/zinc/28/45/60/1064284560.db2.gz OGODVMVIZDTELU-WOJBJXKFSA-N 0 0 465.598 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1C[C@@H](OC)C(C)(C)C ZINC001545870518 1064284610 /nfs/dbraw/zinc/28/46/10/1064284610.db2.gz PLVNLACCSFRFOE-YUXAGFNASA-N 0 0 455.647 4.640 20 0 JJADRN 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ZINC001359739085 1064305306 /nfs/dbraw/zinc/30/53/06/1064305306.db2.gz KXPLROUDLGLIPY-CQSZACIVSA-N 0 0 453.812 4.880 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2cnn(C)c2)C1 ZINC001359739631 1064308338 /nfs/dbraw/zinc/30/83/38/1064308338.db2.gz ZLAOATAXFSDGOY-IBGZPJMESA-N 0 0 457.420 4.556 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001434872313 1064308492 /nfs/dbraw/zinc/30/84/92/1064308492.db2.gz YXIKWSHKZCRLHD-PJSAGSTRSA-N 0 0 473.289 4.740 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001359740203 1064309105 /nfs/dbraw/zinc/30/91/05/1064309105.db2.gz OWPZVWRTNZTBIK-IBGZPJMESA-N 0 0 499.656 4.844 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)C(C)(C)C)CC1 ZINC001359740438 1064309784 /nfs/dbraw/zinc/30/97/84/1064309784.db2.gz VNSVQSZEUNPNGH-UHFFFAOYSA-N 0 0 476.463 4.742 20 0 JJADRN CCC(C)(C)OCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1C ZINC001434875334 1064309765 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QWDDCHUCXGUXIT-LEWJYISDSA-N 0 0 459.635 4.569 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1)[C@@H](C)c1cc2ccccc2o1 ZINC001434879168 1064311570 /nfs/dbraw/zinc/31/15/70/1064311570.db2.gz PEHDTVNEOXLSRR-PKOBYXMFSA-N 0 0 450.535 4.803 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)C1 ZINC001359742577 1064312005 /nfs/dbraw/zinc/31/20/05/1064312005.db2.gz RNNHKBVVDYYERO-LMMKCTJWSA-N 0 0 451.384 4.738 20 0 JJADRN CCCN(C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC001434879577 1064312239 /nfs/dbraw/zinc/31/22/39/1064312239.db2.gz ZBIZFXXLUZXNCN-LJQANCHMSA-N 0 0 454.592 4.905 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001434879966 1064312339 /nfs/dbraw/zinc/31/23/39/1064312339.db2.gz CWAGRIMMWPLYLM-DEOSSOPVSA-N 0 0 451.950 4.752 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc12)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC001434880497 1064312743 /nfs/dbraw/zinc/31/27/43/1064312743.db2.gz AWYXVQNZJUMFTL-UHFFFAOYSA-N 0 0 456.340 4.834 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C(C)C)CC1 ZINC001359742810 1064312745 /nfs/dbraw/zinc/31/27/45/1064312745.db2.gz VJSJNJBYCYPIKF-RLWLMLJZSA-N 0 0 477.694 4.672 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC001434881022 1064313815 /nfs/dbraw/zinc/31/38/15/1064313815.db2.gz GJANLLSJNMMRKC-DEOSSOPVSA-N 0 0 456.546 4.583 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359743614 1064314235 /nfs/dbraw/zinc/31/42/35/1064314235.db2.gz NZXVSHZYOTWJFO-AZUAARDMSA-N 0 0 459.610 4.746 20 0 JJADRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(Br)ncc1Br ZINC001434882177 1064314510 /nfs/dbraw/zinc/31/45/10/1064314510.db2.gz GVUKCBXDBZHRPB-GUYCJALGSA-N 0 0 454.162 4.504 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccncc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001359743757 1064314944 /nfs/dbraw/zinc/31/49/44/1064314944.db2.gz RBPPEGVMMYFOIN-UHFFFAOYSA-N 0 0 480.657 4.704 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)CCCC1 ZINC001434883045 1064315143 /nfs/dbraw/zinc/31/51/43/1064315143.db2.gz JTDNJVHYUFBKRH-HNNXBMFYSA-N 0 0 450.348 4.992 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CCOCC1 ZINC001434882694 1064315234 /nfs/dbraw/zinc/31/52/34/1064315234.db2.gz HWYVKNDWNPDSBA-UHFFFAOYSA-N 0 0 450.501 4.560 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001434883983 1064316092 /nfs/dbraw/zinc/31/60/92/1064316092.db2.gz LXOYDIXVKHZYHH-LLVKDONJSA-N 0 0 454.162 4.992 20 0 JJADRN CCCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC001434885086 1064316934 /nfs/dbraw/zinc/31/69/34/1064316934.db2.gz CIMOZCNEYARSIU-UHFFFAOYSA-N 0 0 453.560 4.966 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001359744746 1064317245 /nfs/dbraw/zinc/31/72/45/1064317245.db2.gz RBOYHDZPEZAIKN-UHFFFAOYSA-N 0 0 468.646 4.536 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccccc3F)n2CCOc2ccc(Cl)cn2)CC1 ZINC001359745254 1064318902 /nfs/dbraw/zinc/31/89/02/1064318902.db2.gz DGGOWORXWMJWFQ-UHFFFAOYSA-N 0 0 473.980 4.996 20 0 JJADRN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1S(C)(=O)=O ZINC001434888522 1064319255 /nfs/dbraw/zinc/31/92/55/1064319255.db2.gz DRWDXUCNODCNEX-UHFFFAOYSA-N 0 0 456.951 4.811 20 0 JJADRN CCCc1nc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)nn1-c1ccccc1Cl ZINC001434888216 1064319886 /nfs/dbraw/zinc/31/98/86/1064319886.db2.gz CVJFMWRQRGGXDK-UHFFFAOYSA-N 0 0 453.974 4.788 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc(C(F)(F)F)c1 ZINC001434888910 1064320032 /nfs/dbraw/zinc/32/00/32/1064320032.db2.gz GHZSGJWYEVBFLI-UHFFFAOYSA-N 0 0 451.445 4.798 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2OCCC2(C)C)C1 ZINC001359745833 1064321378 /nfs/dbraw/zinc/32/13/78/1064321378.db2.gz RRLQXFGLLDUQQI-UFYCRDLUSA-N 0 0 461.651 4.648 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001434891695 1064321388 /nfs/dbraw/zinc/32/13/88/1064321388.db2.gz XFNNKRSRUDSYNI-SFHVURJKSA-N 0 0 456.974 4.608 20 0 JJADRN CC(C)[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(C)C)C1)N1CCOCC1 ZINC001359746080 1064321937 /nfs/dbraw/zinc/32/19/37/1064321937.db2.gz YHESRZZCIOXFGX-ZEQKJWHPSA-N 0 0 497.728 4.994 20 0 JJADRN CC(C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(C)C)C1)N1CCOCC1 ZINC001359746077 1064322076 /nfs/dbraw/zinc/32/20/76/1064322076.db2.gz YHESRZZCIOXFGX-BVAGGSTKSA-N 0 0 497.728 4.994 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC=CO2)C1 ZINC001359745951 1064322124 /nfs/dbraw/zinc/32/21/24/1064322124.db2.gz VVMCGAAUPPEZJY-XLIONFOSSA-N 0 0 461.404 4.795 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001434893104 1064322197 /nfs/dbraw/zinc/32/21/97/1064322197.db2.gz HBXDSIICANCWOB-PFONDFGASA-N 0 0 456.391 4.728 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001434892300 1064322355 /nfs/dbraw/zinc/32/23/55/1064322355.db2.gz YUKCFISYHBYQBJ-UHFFFAOYSA-N 0 0 450.988 4.944 20 0 JJADRN COC(=O)c1ncoc1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC001434894028 1064322992 /nfs/dbraw/zinc/32/29/92/1064322992.db2.gz NYUQDVLOUBRPGJ-UHFFFAOYSA-N 0 0 452.360 4.983 20 0 JJADRN O=C(NCCCc1cccc(C(F)(F)F)c1)c1ccc(I)c(F)c1 ZINC001434894744 1064323051 /nfs/dbraw/zinc/32/30/51/1064323051.db2.gz YQPVBNRYHRPIQK-UHFFFAOYSA-N 0 0 451.201 4.812 20 0 JJADRN COc1cc(CCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)ccc1OCC(F)(F)F ZINC001434894505 1064323294 /nfs/dbraw/zinc/32/32/94/1064323294.db2.gz AAZQCWDCUWXSRC-IBGZPJMESA-N 0 0 453.457 4.765 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCS2)CCO1 ZINC001359746452 1064323443 /nfs/dbraw/zinc/32/34/43/1064323443.db2.gz GQAYQGGUEKQUMH-YJBOKZPZSA-N 0 0 469.424 4.604 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OCCC(C)C)c3)CC2)c(C)c1 ZINC001434896210 1064323822 /nfs/dbraw/zinc/32/38/22/1064323822.db2.gz IPICKMVDDPMHJH-UHFFFAOYSA-N 0 0 458.624 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](C)c1c(C)noc1C ZINC001545887149 1064323860 /nfs/dbraw/zinc/32/38/60/1064323860.db2.gz WYFQXSONIQFABX-OAHLLOKOSA-N 0 0 485.032 4.821 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCCC2(C)C)CCS1 ZINC001359747245 1064326715 /nfs/dbraw/zinc/32/67/15/1064326715.db2.gz XGPRNTGHLSUVLZ-AVRDEDQJSA-N 0 0 496.519 4.565 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C(C)(C)C)no2)CCS1 ZINC001359747199 1064326766 /nfs/dbraw/zinc/32/67/66/1064326766.db2.gz WGODQSMYIMJVQC-KRWDZBQOSA-N 0 0 493.475 4.947 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1C ZINC001434898230 1064326871 /nfs/dbraw/zinc/32/68/71/1064326871.db2.gz JIHYZGGZYMYVBA-FUHIMQAGSA-N 0 0 454.533 4.843 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC(F)(F)c2ccccc2)CCO1 ZINC001359747358 1064327594 /nfs/dbraw/zinc/32/75/94/1064327594.db2.gz ZOLGZCGGODYOIR-LJQANCHMSA-N 0 0 494.384 4.699 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccc(OC(C)C)n3)cc2Cl)n1 ZINC001434899358 1064327778 /nfs/dbraw/zinc/32/77/78/1064327778.db2.gz VRUOPEUHHWJMOI-INIZCTEOSA-N 0 0 455.946 4.788 20 0 JJADRN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cccc(OCC(F)(F)F)c1 ZINC001434900039 1064328272 /nfs/dbraw/zinc/32/82/72/1064328272.db2.gz LMNXNEXULUAQTF-UHFFFAOYSA-N 0 0 458.274 4.826 20 0 JJADRN C[C@@H](NC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC001434901558 1064328786 /nfs/dbraw/zinc/32/87/86/1064328786.db2.gz PJYYDHYEMBRFID-SJORKVTESA-N 0 0 453.539 4.720 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 ZINC001434901519 1064329683 /nfs/dbraw/zinc/32/96/83/1064329683.db2.gz OGHAHSNCCZUIKK-VQTJNVASSA-N 0 0 455.396 4.626 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2c(n1)OCCO2 ZINC001434901501 1064329698 /nfs/dbraw/zinc/32/96/98/1064329698.db2.gz SWRLIINBJGSYCX-UHFFFAOYSA-N 0 0 457.408 4.685 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)nn1-c1ccc(Cl)cc1Cl ZINC001434902868 1064330233 /nfs/dbraw/zinc/33/02/33/1064330233.db2.gz WWBJOTBKIYNAHH-AWEZNQCLSA-N 0 0 459.333 4.935 20 0 JJADRN Cc1c(I)cc(Br)cc1C(=O)Nc1cccc(F)c1F ZINC001434902273 1064330315 /nfs/dbraw/zinc/33/03/15/1064330315.db2.gz QVCXIIZEWVDFKS-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCC(CC)N(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)c1ccc(C)c(C)c1 ZINC001434902330 1064330483 /nfs/dbraw/zinc/33/04/83/1064330483.db2.gz ZPYCZSSTEPKLAN-UHFFFAOYSA-N 0 0 450.626 4.555 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)CCS1 ZINC001359747615 1064330502 /nfs/dbraw/zinc/33/05/02/1064330502.db2.gz FMCXWXBJESEPHB-FQEVSTJZSA-N 0 0 457.047 4.686 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NCC(=O)Nc3ccc(C)cc3Cl)CC2(Cl)Cl)cc1 ZINC001434902995 1064331196 /nfs/dbraw/zinc/33/11/96/1064331196.db2.gz YGQMWFKWMYTZCW-HXUWFJFHSA-N 0 0 455.769 4.617 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001359747865 1064331446 /nfs/dbraw/zinc/33/14/46/1064331446.db2.gz KIDZVINRSUZBFG-PBHICJAKSA-N 0 0 461.340 4.537 20 0 JJADRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001434904285 1064331766 /nfs/dbraw/zinc/33/17/66/1064331766.db2.gz HERKRNFQLIRPEB-UHFFFAOYSA-N 0 0 457.456 4.519 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@@H]2CCOC2)CCS1 ZINC001359747998 1064331946 /nfs/dbraw/zinc/33/19/46/1064331946.db2.gz MNWWDAFYSNUSQD-LAUBAEHRSA-N 0 0 483.053 4.759 20 0 JJADRN C[C@@H](C(=O)N1CCC(c2cccc3ccccc32)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001434904942 1064332617 /nfs/dbraw/zinc/33/26/17/1064332617.db2.gz PUBABNNYJNVUCI-LJQANCHMSA-N 0 0 450.604 4.600 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCC2)CCS1 ZINC001359748150 1064332747 /nfs/dbraw/zinc/33/27/47/1064332747.db2.gz PHWOFHXAUGOUGZ-SFHVURJKSA-N 0 0 465.461 4.591 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)CCS1 ZINC001359748269 1064333294 /nfs/dbraw/zinc/33/32/94/1064333294.db2.gz RUHJCGFNUBFIIP-INIZCTEOSA-N 0 0 497.413 4.925 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)CCO1 ZINC001359748233 1064333371 /nfs/dbraw/zinc/33/33/71/1064333371.db2.gz RIZXTSWQYRLLSF-GOSISDBHSA-N 0 0 450.345 4.696 20 0 JJADRN O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1cc2n(n1)CCCC2 ZINC001434908152 1064334617 /nfs/dbraw/zinc/33/46/17/1064334617.db2.gz BQZCTRGSROXQNC-UHFFFAOYSA-N 0 0 456.421 4.798 20 0 JJADRN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001434907820 1064334769 /nfs/dbraw/zinc/33/47/69/1064334769.db2.gz DZIGATPJRLGHAX-IBGZPJMESA-N 0 0 452.555 4.943 20 0 JJADRN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001434907829 1064334779 /nfs/dbraw/zinc/33/47/79/1064334779.db2.gz DZIGATPJRLGHAX-LJQANCHMSA-N 0 0 452.555 4.943 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCC2)CCS1 ZINC001359748469 1064334859 /nfs/dbraw/zinc/33/48/59/1064334859.db2.gz WEWQCNKDTWDRET-HNNXBMFYSA-N 0 0 471.490 4.652 20 0 JJADRN O=C(COCc1ccncc1)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC001434909258 1064335212 /nfs/dbraw/zinc/33/52/12/1064335212.db2.gz GKHPEIGVDHNLMF-UHFFFAOYSA-N 0 0 457.405 4.563 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N2CCOCC2)CCS1 ZINC001359748606 1064335588 /nfs/dbraw/zinc/33/55/88/1064335588.db2.gz ZYFKMAKKUQHQPI-REWPJTCUSA-N 0 0 471.715 4.541 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2CCCNc2ccc(C(F)(F)F)cn2)CCS1 ZINC001359749138 1064336208 /nfs/dbraw/zinc/33/62/08/1064336208.db2.gz LGBUDSFQRRNQIO-LJQANCHMSA-N 0 0 491.587 4.834 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COC(C)(C)C)c2)CCS1 ZINC001359748620 1064336281 /nfs/dbraw/zinc/33/62/81/1064336281.db2.gz AHECVDCZFYEMCI-QFIPXVFZSA-N 0 0 468.671 4.620 20 0 JJADRN CC(C)(C)n1c2ccccc2nc1NC(=O)c1nc(Br)ccc1Br ZINC001434910403 1064336812 /nfs/dbraw/zinc/33/68/12/1064336812.db2.gz NOANZRLXSPHYLQ-UHFFFAOYSA-N 0 0 452.150 4.964 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CCCOc1ccccc1Br)c1ccc(F)cc1 ZINC001434910873 1064336858 /nfs/dbraw/zinc/33/68/58/1064336858.db2.gz PERKBPAOTBFZPC-SFHVURJKSA-N 0 0 452.320 4.558 20 0 JJADRN COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001434910794 1064336999 /nfs/dbraw/zinc/33/69/99/1064336999.db2.gz AWIZHYWOTFGRRK-KRWDZBQOSA-N 0 0 457.452 4.951 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CCOc2ccc(F)c(Cl)c2)CCS1 ZINC001359749448 1064337030 /nfs/dbraw/zinc/33/70/30/1064337030.db2.gz RAGMKMLWADVXBC-HXUWFJFHSA-N 0 0 461.994 4.789 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1NC(=O)c1ccncc1 ZINC001434911340 1064337622 /nfs/dbraw/zinc/33/76/22/1064337622.db2.gz DFPJYNMEEJQIFI-HXUWFJFHSA-N 0 0 454.571 4.910 20 0 JJADRN C/C(=C\C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC001434911279 1064337667 /nfs/dbraw/zinc/33/76/67/1064337667.db2.gz PVYKDGFJOFBIQV-KPKJPENVSA-N 0 0 456.258 4.959 20 0 JJADRN COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1 ZINC001434911588 1064338220 /nfs/dbraw/zinc/33/82/20/1064338220.db2.gz KBSLWUPHYFOMIY-NRFANRHFSA-N 0 0 456.539 4.540 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c(=O)o1 ZINC001434911687 1064338261 /nfs/dbraw/zinc/33/82/61/1064338261.db2.gz RIQJWZLDTBWGKJ-UHFFFAOYSA-N 0 0 458.389 4.835 20 0 JJADRN O=C(Nc1cccc(CNC(=O)C2(c3ccc(F)cc3F)CCOCC2)c1)C1CCCCC1 ZINC001434911800 1064338276 /nfs/dbraw/zinc/33/82/76/1064338276.db2.gz FOJFICKBWJRYOB-UHFFFAOYSA-N 0 0 456.533 4.848 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2cc(-c3cccnc3)nn2C)cc1OC ZINC001434911909 1064338365 /nfs/dbraw/zinc/33/83/65/1064338365.db2.gz IDSKHSNUWAINAQ-JOCHJYFZSA-N 0 0 456.546 4.522 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2cc(Cl)c(Br)cc2OC)cc1 ZINC001434912630 1064339083 /nfs/dbraw/zinc/33/90/83/1064339083.db2.gz WAGUBCWKMFAJGZ-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCCCn2cc(Br)cn2)CCS1 ZINC001359751138 1064339317 /nfs/dbraw/zinc/33/93/17/1064339317.db2.gz YWAAJTDQIPOXTQ-SFHVURJKSA-N 0 0 467.481 4.563 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CCS1 ZINC001359751094 1064339387 /nfs/dbraw/zinc/33/93/87/1064339387.db2.gz YHWAZWATWDYJRJ-OAHLLOKOSA-N 0 0 477.000 4.968 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CN(C)C(=O)OCc2ccccc2)cc1 ZINC001434913031 1064339795 /nfs/dbraw/zinc/33/97/95/1064339795.db2.gz MEWAKTWODDQUBF-XMMPIXPASA-N 0 0 450.510 4.503 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CCO1 ZINC001359752554 1064340938 /nfs/dbraw/zinc/34/09/38/1064340938.db2.gz VFZALXUKAWSKFP-FKBYEOEOSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCS2)CCO1 ZINC001359752170 1064340949 /nfs/dbraw/zinc/34/09/49/1064340949.db2.gz PRQAVTSMBFHHKQ-RLSLOFABSA-N 0 0 493.718 4.540 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC001434915043 1064342029 /nfs/dbraw/zinc/34/20/29/1064342029.db2.gz NEEPLVCCHJYQNE-GFCCVEGCSA-N 0 0 451.777 4.862 20 0 JJADRN CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)C)C1)c1cccnc1 ZINC001359753285 1064342286 /nfs/dbraw/zinc/34/22/86/1064342286.db2.gz GQQSNWXCZACTNT-RPWUZVMVSA-N 0 0 451.590 4.704 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2ccccc2OC(F)F)CCS1 ZINC001359753256 1064342336 /nfs/dbraw/zinc/34/23/36/1064342336.db2.gz FXRQFEGNHNWRRF-OAQYLSRUSA-N 0 0 473.593 4.686 20 0 JJADRN CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)C)C1)c1cccnc1 ZINC001359753284 1064342352 /nfs/dbraw/zinc/34/23/52/1064342352.db2.gz GQQSNWXCZACTNT-DNQXCXABSA-N 0 0 451.590 4.704 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cc(COC(C)(C)C)on2)CCS1 ZINC001359753193 1064342421 /nfs/dbraw/zinc/34/24/21/1064342421.db2.gz DUDCUZXAMNRSRQ-FQEVSTJZSA-N 0 0 475.684 4.860 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCC(F)(F)F)CCO1 ZINC001359753321 1064342887 /nfs/dbraw/zinc/34/28/87/1064342887.db2.gz HLVDYLHZRNCNGX-IBGZPJMESA-N 0 0 467.561 4.507 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCc2nccc(C(F)(F)F)n2)CCS1 ZINC001359753547 1064342921 /nfs/dbraw/zinc/34/29/21/1064342921.db2.gz LVDBTXKWPZWKSY-GOSISDBHSA-N 0 0 494.562 4.637 20 0 JJADRN CN(C(=O)CSCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1CCCCC1 ZINC001434916561 1064343606 /nfs/dbraw/zinc/34/36/06/1064343606.db2.gz JFLBETRHPFFJSH-GOSISDBHSA-N 0 0 457.665 4.878 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001359753958 1064344421 /nfs/dbraw/zinc/34/44/21/1064344421.db2.gz VGPQWZTWYKNODX-QGZVFWFLSA-N 0 0 462.969 4.679 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@@](C)(O)c2ccccc2)CCS1 ZINC001359754151 1064344474 /nfs/dbraw/zinc/34/44/74/1064344474.db2.gz YVGKAYKBEDRGKM-XUZZJYLKSA-N 0 0 456.681 4.806 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cncn1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001434917835 1064345021 /nfs/dbraw/zinc/34/50/21/1064345021.db2.gz NUPOBDRBUPWDAA-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN COc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc(OC)c1OC(F)F ZINC001434918647 1064345578 /nfs/dbraw/zinc/34/55/78/1064345578.db2.gz BWFZQTYVXDGQLQ-SFHVURJKSA-N 0 0 457.477 4.988 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)s1 ZINC001434918669 1064345703 /nfs/dbraw/zinc/34/57/03/1064345703.db2.gz CBNFHGJDQVRSMK-UHFFFAOYSA-N 0 0 455.388 4.696 20 0 JJADRN CS(=O)(=O)C1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)CC1 ZINC001434918448 1064345733 /nfs/dbraw/zinc/34/57/33/1064345733.db2.gz AKDJBSTUCHGFDT-UHFFFAOYSA-N 0 0 455.407 4.521 20 0 JJADRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001434918986 1064346239 /nfs/dbraw/zinc/34/62/39/1064346239.db2.gz HOGPMJLRBGSKIZ-UHFFFAOYSA-N 0 0 457.918 4.985 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCS1 ZINC001359755089 1064346324 /nfs/dbraw/zinc/34/63/24/1064346324.db2.gz SEUKRUJTCFZXDO-GHTZIAJQSA-N 0 0 499.578 4.600 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001359755077 1064346437 /nfs/dbraw/zinc/34/64/37/1064346437.db2.gz RULOZAKEEOPJCM-PKTZIBPZSA-N 0 0 460.066 4.828 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C[S@](C)=O)cc2)CCS1 ZINC001359754932 1064346571 /nfs/dbraw/zinc/34/65/71/1064346571.db2.gz OTPJRWFMPVYEPQ-UGDMGKLASA-N 0 0 460.713 4.515 20 0 JJADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001434919784 1064347223 /nfs/dbraw/zinc/34/72/23/1064347223.db2.gz OBOUAQOPEHJGEK-WZONZLPQSA-N 0 0 457.368 4.610 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001359755203 1064347297 /nfs/dbraw/zinc/34/72/97/1064347297.db2.gz VFPYERBURRUHGD-RMTZWNOUSA-N 0 0 454.659 4.766 20 0 JJADRN O=C(COc1ccc(F)cc1Br)NCc1ccc(Br)cc1Cl ZINC001434920143 1064347375 /nfs/dbraw/zinc/34/73/75/1064347375.db2.gz OLMAKGXUTVYCHK-UHFFFAOYSA-N 0 0 451.517 4.699 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CCS1 ZINC001359755429 1064348572 /nfs/dbraw/zinc/34/85/72/1064348572.db2.gz ABUITWGEWVKCFG-RXVVDRJESA-N 0 0 496.146 4.522 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CCS1 ZINC001359755427 1064348678 /nfs/dbraw/zinc/34/86/78/1064348678.db2.gz ABUITWGEWVKCFG-GHTZIAJQSA-N 0 0 496.146 4.522 20 0 JJADRN CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(C)C)C1)c1cccnc1 ZINC001359755388 1064348748 /nfs/dbraw/zinc/34/87/48/1064348748.db2.gz ZEKGSRFXPYLVPS-RPBOFIJWSA-N 0 0 463.626 4.596 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)CCS1 ZINC001359755484 1064349538 /nfs/dbraw/zinc/34/95/38/1064349538.db2.gz AUAOSFGLIIEYKB-SFTDATJTSA-N 0 0 486.686 4.566 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1 ZINC001359755690 1064350175 /nfs/dbraw/zinc/35/01/75/1064350175.db2.gz FDUDTEQJKFNGCL-GUXCAODWSA-N 0 0 497.865 4.895 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1 ZINC001359755644 1064350189 /nfs/dbraw/zinc/35/01/89/1064350189.db2.gz DCFRCUKUVOVYFU-OXJNMPFZSA-N 0 0 476.394 4.872 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccn1 ZINC001359755595 1064350212 /nfs/dbraw/zinc/35/02/12/1064350212.db2.gz CLMOYQOATJZEOD-UTKZUKDTSA-N 0 0 487.446 4.561 20 0 JJADRN Cc1sc(=O)n(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1C ZINC001434922512 1064350653 /nfs/dbraw/zinc/35/06/53/1064350653.db2.gz ZWCFSGRDYUEUGS-UHFFFAOYSA-N 0 0 450.391 4.848 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@H]2C)CCO1 ZINC001359755879 1064351155 /nfs/dbraw/zinc/35/11/55/1064351155.db2.gz HZRMHZUQRBUJQF-CGYQNGNCSA-N 0 0 483.440 4.576 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccsc1 ZINC001359755895 1064351168 /nfs/dbraw/zinc/35/11/68/1064351168.db2.gz IEOBIHOVCPZFIO-QAPCUYQASA-N 0 0 464.433 4.795 20 0 JJADRN C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)CCN1C(=O)OC(C)(C)C ZINC001434922693 1064351340 /nfs/dbraw/zinc/35/13/40/1064351340.db2.gz XQTHZVIORONYDB-HIFRSBDPSA-N 0 0 450.992 4.809 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCOC(C)(C)C)CCO1 ZINC001359755907 1064351447 /nfs/dbraw/zinc/35/14/47/1064351447.db2.gz IIFCIUJNGMPGMT-IBGZPJMESA-N 0 0 453.052 4.900 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCSCc2ccccc2F)CCS1 ZINC001359755977 1064351736 /nfs/dbraw/zinc/35/17/36/1064351736.db2.gz JRDPOBXOIRTILF-UXHICEINSA-N 0 0 450.649 4.780 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2CCCCO2)CCS1 ZINC001359755900 1064351802 /nfs/dbraw/zinc/35/18/02/1064351802.db2.gz IFQHLUKIYZYVFP-UNMCSNQZSA-N 0 0 462.635 4.923 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)ccc21 ZINC001434923412 1064352022 /nfs/dbraw/zinc/35/20/22/1064352022.db2.gz FOANSXIDCRZGSO-UHFFFAOYSA-N 0 0 456.424 4.661 20 0 JJADRN CO[C@@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)c1ccc(Br)s1 ZINC001434923621 1064352257 /nfs/dbraw/zinc/35/22/57/1064352257.db2.gz YUQPUBUJGGFNLG-OAHLLOKOSA-N 0 0 456.362 4.861 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359756263 1064352520 /nfs/dbraw/zinc/35/25/20/1064352520.db2.gz OEOOJQVQHBQPIO-CXAGYDPISA-N 0 0 490.368 4.876 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359756266 1064352625 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RDLUPUJBWUSMAY-RBBKRZOGSA-N 0 0 458.986 4.766 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CCN1CCOCC1)c1ccccc1 ZINC001434926134 1064354394 /nfs/dbraw/zinc/35/43/94/1064354394.db2.gz GTOGHBSMZGNJTA-UHFFFAOYSA-N 0 0 459.468 4.648 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)COc3ccccc3OCc3ccccc3)ccc21 ZINC001434925775 1064354404 /nfs/dbraw/zinc/35/44/04/1064354404.db2.gz YXQYKHFTIQYDKS-UHFFFAOYSA-N 0 0 458.514 4.801 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001434926766 1064354439 /nfs/dbraw/zinc/35/44/39/1064354439.db2.gz FQXKHDCVCOTLQE-HNNXBMFYSA-N 0 0 450.970 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001434926620 1064354461 /nfs/dbraw/zinc/35/44/61/1064354461.db2.gz CWPVIWJNLQCSIC-KRWDZBQOSA-N 0 0 455.521 4.825 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccccc3-c3ccccc3C(=O)OC)ccc21 ZINC001434925766 1064354512 /nfs/dbraw/zinc/35/45/12/1064354512.db2.gz YVKGEWBNUXMCLE-UHFFFAOYSA-N 0 0 456.498 4.910 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccsc2)CCS1 ZINC001359756731 1064354551 /nfs/dbraw/zinc/35/45/51/1064354551.db2.gz XDZCXUDEQQMRPG-HSALFYBXSA-N 0 0 491.727 4.931 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCOCC2)CCO1 ZINC001359756577 1064354610 /nfs/dbraw/zinc/35/46/10/1064354610.db2.gz UYMNZEFCRHFSRX-FQEVSTJZSA-N 0 0 451.036 4.512 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359756695 1064354625 /nfs/dbraw/zinc/35/46/25/1064354625.db2.gz WTTRUVZDGOSSKC-HQRMLTQVSA-N 0 0 477.447 4.772 20 0 JJADRN CCCN(C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)[C@H](C)C(=O)Nc1ccccc1 ZINC001434926855 1064355075 /nfs/dbraw/zinc/35/50/75/1064355075.db2.gz WHKGAQAOONBYND-RTBURBONSA-N 0 0 450.608 4.779 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CCc2ccc(Cl)s2)CCO1 ZINC001359756850 1064355542 /nfs/dbraw/zinc/35/55/42/1064355542.db2.gz ZFLIUZXBHCBSJD-LJQANCHMSA-N 0 0 464.994 4.815 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001359757141 1064356289 /nfs/dbraw/zinc/35/62/89/1064356289.db2.gz CXOROZQSZPILHM-QRWLVFNGSA-N 0 0 488.410 4.700 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001359757308 1064356817 /nfs/dbraw/zinc/35/68/17/1064356817.db2.gz GFVIGLYJHCFALA-SPLQCWDRSA-N 0 0 469.374 4.702 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359757229 1064357061 /nfs/dbraw/zinc/35/70/61/1064357061.db2.gz FFDGUNWJNBBWNO-RXVVDRJESA-N 0 0 470.415 4.800 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCc2csc(Br)c2)cc1 ZINC001434930292 1064356891 /nfs/dbraw/zinc/35/68/91/1064356891.db2.gz UWEJXZRKQWVUQL-UHFFFAOYSA-N 0 0 455.175 4.697 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)ccc1Cl ZINC001434930159 1064356991 /nfs/dbraw/zinc/35/69/91/1064356991.db2.gz KFICLAHEIFFJAC-UHFFFAOYSA-N 0 0 453.341 4.585 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(CCC(C)C)cc2)cc1 ZINC001434929606 1064357143 /nfs/dbraw/zinc/35/71/43/1064357143.db2.gz FTGQJQVMVMHVHU-DEOSSOPVSA-N 0 0 456.608 4.660 20 0 JJADRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c2)C1 ZINC001434929646 1064357152 /nfs/dbraw/zinc/35/71/52/1064357152.db2.gz QZJCIBCFVOIIKQ-GHTZIAJQSA-N 0 0 454.567 4.538 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001359757531 1064357497 /nfs/dbraw/zinc/35/74/97/1064357497.db2.gz IMDGZJLJSKPBIH-FDDCHVKYSA-N 0 0 461.601 4.533 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001359757532 1064357722 /nfs/dbraw/zinc/35/77/22/1064357722.db2.gz IMDGZJLJSKPBIH-JPYJTQIMSA-N 0 0 461.601 4.533 20 0 JJADRN O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)CC1 ZINC001434932093 1064358219 /nfs/dbraw/zinc/35/82/19/1064358219.db2.gz YEPPQSUODLFLRC-NVXWUHKLSA-N 0 0 453.316 4.750 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001359757535 1064358249 /nfs/dbraw/zinc/35/82/49/1064358249.db2.gz INPJPLSCTALZFS-GIVPXCGWSA-N 0 0 477.447 4.980 20 0 JJADRN Cn1ccnc1Sc1ccccc1NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001434931685 1064358461 /nfs/dbraw/zinc/35/84/61/1064358461.db2.gz DQAGWYQIJFJTFV-UHFFFAOYSA-N 0 0 459.362 4.770 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCn1cccn1 ZINC001359757778 1064359026 /nfs/dbraw/zinc/35/90/26/1064359026.db2.gz LFTOPGXCELGCST-UZLBHIALSA-N 0 0 463.413 4.646 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NCc2c(C)cc(Br)cc2C)s1 ZINC001434933741 1064359972 /nfs/dbraw/zinc/35/99/72/1064359972.db2.gz SPKCNFRTLCUFGC-GOSISDBHSA-N 0 0 459.413 4.664 20 0 JJADRN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC001545887446 1064360474 /nfs/dbraw/zinc/36/04/74/1064360474.db2.gz DXXSKVDZWZOXRN-INIZCTEOSA-N 0 0 458.345 4.782 20 0 JJADRN O=C(COc1cccc(I)c1)N(CCc1ccccc1)c1ccccc1 ZINC001434934601 1064360520 /nfs/dbraw/zinc/36/05/20/1064360520.db2.gz VQLILPUUCRJFMH-UHFFFAOYSA-N 0 0 457.311 4.946 20 0 JJADRN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001545887447 1064360535 /nfs/dbraw/zinc/36/05/35/1064360535.db2.gz DXXSKVDZWZOXRN-MRXNPFEDSA-N 0 0 458.345 4.782 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001359758469 1064360494 /nfs/dbraw/zinc/36/04/94/1064360494.db2.gz UXVDMMSZLJCKLT-ILBGXUMGSA-N 0 0 497.684 4.633 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359758563 1064360552 /nfs/dbraw/zinc/36/05/52/1064360552.db2.gz VVKZTFTXWKMSLK-RRPUWOKSSA-N 0 0 498.672 4.531 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359759045 1064361221 /nfs/dbraw/zinc/36/12/21/1064361221.db2.gz BXSPGADDZBTJKG-GZGNHOFSSA-N 0 0 497.684 4.570 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCOc1ccccc1F ZINC001359759231 1064362540 /nfs/dbraw/zinc/36/25/40/1064362540.db2.gz FHBQERVOXQBOOJ-WMZHIEFXSA-N 0 0 458.603 4.646 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001359759329 1064363245 /nfs/dbraw/zinc/36/32/45/1064363245.db2.gz GRHYPSZYNBKHIU-NMMYMHLASA-N 0 0 474.621 4.841 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccccn1 ZINC001434940840 1064363508 /nfs/dbraw/zinc/36/35/08/1064363508.db2.gz QCTNLHRKHVGDLD-HNNXBMFYSA-N 0 0 453.955 4.604 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1OC(C)C ZINC001434940227 1064363527 /nfs/dbraw/zinc/36/35/27/1064363527.db2.gz NRTSQVUGLBDLEU-UHFFFAOYSA-N 0 0 452.320 4.581 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434940071 1064363565 /nfs/dbraw/zinc/36/35/65/1064363565.db2.gz UCTIKSCPSFIPCL-YBOAYWMSSA-N 0 0 451.405 4.534 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 ZINC001359759323 1064363506 /nfs/dbraw/zinc/36/35/06/1064363506.db2.gz GOBIFRVLMLNJJH-SIKLNZKXSA-N 0 0 490.048 4.623 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759642 1064364123 /nfs/dbraw/zinc/36/41/23/1064364123.db2.gz KKMMYVRHSNYRAR-IRLDBZIGSA-N 0 0 460.066 4.612 20 0 JJADRN CN(C(=O)c1cc(Cl)c(F)cc1Br)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001434942512 1064364230 /nfs/dbraw/zinc/36/42/30/1064364230.db2.gz BDGMJQIWWMMELD-GOSISDBHSA-N 0 0 454.702 4.976 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Cl ZINC001359759715 1064364752 /nfs/dbraw/zinc/36/47/52/1064364752.db2.gz LATAURIQQIEACL-SIKLNZKXSA-N 0 0 483.016 4.666 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3Sc3nnnn3C)cc2)c1 ZINC001434943252 1064364823 /nfs/dbraw/zinc/36/48/23/1064364823.db2.gz JJKLZFKMDXBLDZ-UHFFFAOYSA-N 0 0 452.927 4.763 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C ZINC001359759683 1064364916 /nfs/dbraw/zinc/36/49/16/1064364916.db2.gz KUYCGKBAUIHZDY-LZJOCLMNSA-N 0 0 463.420 4.669 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)nnn1Cc1ccccc1 ZINC001434943180 1064365022 /nfs/dbraw/zinc/36/50/22/1064365022.db2.gz CADSSSGXBGWZPU-UHFFFAOYSA-N 0 0 450.593 4.761 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(COc4cccc(F)c4)c3)CC2)s1 ZINC001434943002 1064365046 /nfs/dbraw/zinc/36/50/46/1064365046.db2.gz JULFUSWGQRSUGJ-UHFFFAOYSA-N 0 0 452.551 4.809 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359759856 1064366421 /nfs/dbraw/zinc/36/64/21/1064366421.db2.gz MCKUCHAMWXWWKN-UZUQRXQVSA-N 0 0 473.980 4.742 20 0 JJADRN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(Br)cc2c1OCCO2 ZINC001434945188 1064366623 /nfs/dbraw/zinc/36/66/23/1064366623.db2.gz NRGSHZKLMNEMQC-UHFFFAOYSA-N 0 0 452.717 4.645 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)nc3Sc3ccccc3)CC2)s1 ZINC001434945159 1064366666 /nfs/dbraw/zinc/36/66/66/1064366666.db2.gz XJMVUNBHAWJJIE-UHFFFAOYSA-N 0 0 451.617 4.946 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001434947260 1064367466 /nfs/dbraw/zinc/36/74/66/1064367466.db2.gz USFIINRLUPAUDU-MKKLKVPQSA-N 0 0 454.851 4.690 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359760214 1064367846 /nfs/dbraw/zinc/36/78/46/1064367846.db2.gz QNDNRKBZPAUPQG-CSEOROSGSA-N 0 0 462.679 4.509 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359760215 1064367855 /nfs/dbraw/zinc/36/78/55/1064367855.db2.gz QNDNRKBZPAUPQG-LILSUDLASA-N 0 0 462.679 4.509 20 0 JJADRN CCc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001434947360 1064367978 /nfs/dbraw/zinc/36/79/78/1064367978.db2.gz WAALGQLDXCKIMZ-AZUAARDMSA-N 0 0 458.484 4.922 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359760440 1064368677 /nfs/dbraw/zinc/36/86/77/1064368677.db2.gz UJLCZYAXWPPRGJ-TYPHKJRUSA-N 0 0 477.447 4.774 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)C ZINC001359760503 1064368693 /nfs/dbraw/zinc/36/86/93/1064368693.db2.gz VDAFKXWLUXSRFK-QFBILLFUSA-N 0 0 466.468 4.980 20 0 JJADRN O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001434948480 1064369592 /nfs/dbraw/zinc/36/95/92/1064369592.db2.gz CXXITHQGBDONRS-UHFFFAOYSA-N 0 0 458.484 4.987 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C)cn2)cc1)c1ccc(Br)cc1 ZINC001434949077 1064369704 /nfs/dbraw/zinc/36/97/04/1064369704.db2.gz VRNHVYQPVJHHRF-FQEVSTJZSA-N 0 0 455.308 4.589 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359761056 1064371061 /nfs/dbraw/zinc/37/10/61/1064371061.db2.gz CHLMSSZRULFWAB-GJZGRUSLSA-N 0 0 454.459 4.928 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc2c(cncc2Cl)s1 ZINC001434950656 1064372054 /nfs/dbraw/zinc/37/20/54/1064372054.db2.gz ZEHQJCJBKLTDTA-UHFFFAOYSA-N 0 0 450.847 4.504 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359761455 1064372392 /nfs/dbraw/zinc/37/23/92/1064372392.db2.gz HYSUMPJTACUISW-ZJOUEHCJSA-N 0 0 466.548 4.888 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)C1 ZINC001359762249 1064375102 /nfs/dbraw/zinc/37/51/02/1064375102.db2.gz RXDRCIHWKWWIQB-JXFKEZNVSA-N 0 0 495.437 4.913 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ncc(Br)cc1Br)O[C@H](C)C2 ZINC001434959717 1064375000 /nfs/dbraw/zinc/37/50/00/1064375000.db2.gz XBMRDSDQXBNUDY-SECBINFHSA-N 0 0 456.134 4.581 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359762312 1064375325 /nfs/dbraw/zinc/37/53/25/1064375325.db2.gz SSUCYNXTVZJXJG-KNQAVFIVSA-N 0 0 477.694 4.811 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCC[C@@H]3C)nnc2-c2ccco2)cc1 ZINC001434959368 1064375192 /nfs/dbraw/zinc/37/51/92/1064375192.db2.gz VLUYFGQRHRBVHR-ROUUACIJSA-N 0 0 454.596 4.961 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(I)c1)O[C@@H](C)C2 ZINC001434958599 1064375225 /nfs/dbraw/zinc/37/52/25/1064375225.db2.gz LFAFPNMCYRXVDP-JTQLQIEISA-N 0 0 457.695 4.919 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC001434960568 1064375988 /nfs/dbraw/zinc/37/59/88/1064375988.db2.gz BBPWHUZCAQQQKO-OAQYLSRUSA-N 0 0 451.394 4.651 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001434960647 1064376014 /nfs/dbraw/zinc/37/60/14/1064376014.db2.gz CHEZLCIUZOBNTA-UHFFFAOYSA-N 0 0 456.558 4.506 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1 ZINC001359762714 1064376510 /nfs/dbraw/zinc/37/65/10/1064376510.db2.gz YMJWFEPPCAXFRR-XWGVYQGASA-N 0 0 455.647 4.544 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Br)c(Cl)c1 ZINC001434961046 1064376686 /nfs/dbraw/zinc/37/66/86/1064376686.db2.gz FLDVRYFSNVIPBK-GOSISDBHSA-N 0 0 458.183 4.559 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)s1 ZINC001434961992 1064377352 /nfs/dbraw/zinc/37/73/52/1064377352.db2.gz IVHWVLURXKULCE-FOIQADDNSA-N 0 0 453.539 4.980 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762960 1064378154 /nfs/dbraw/zinc/37/81/54/1064378154.db2.gz BFVPULDQUCQEDU-RSXGOPAZSA-N 0 0 484.685 4.740 20 0 JJADRN O=C(N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1cnc(C2CC2)o1 ZINC001434962955 1064378277 /nfs/dbraw/zinc/37/82/77/1064378277.db2.gz AYIKHVZKGFNIQE-GOSISDBHSA-N 0 0 458.287 4.563 20 0 JJADRN O=C(N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1cnc(C2CC2)o1 ZINC001434962959 1064378291 /nfs/dbraw/zinc/37/82/91/1064378291.db2.gz AYIKHVZKGFNIQE-SFHVURJKSA-N 0 0 458.287 4.563 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001359763225 1064378742 /nfs/dbraw/zinc/37/87/42/1064378742.db2.gz HLKMQUWTSLQRCA-HXUWFJFHSA-N 0 0 468.552 4.855 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001359763232 1064378781 /nfs/dbraw/zinc/37/87/81/1064378781.db2.gz HRNDJPRIQUEYJX-MOUTVQLLSA-N 0 0 476.706 4.637 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001434963730 1064378861 /nfs/dbraw/zinc/37/88/61/1064378861.db2.gz UPBOFCOKIACPOB-UHFFFAOYSA-N 0 0 454.901 4.782 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359763218 1064378852 /nfs/dbraw/zinc/37/88/52/1064378852.db2.gz HHGIWDGYHNZVKF-AKFKNWHVSA-N 0 0 473.706 4.593 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359763291 1064379521 /nfs/dbraw/zinc/37/95/21/1064379521.db2.gz IGKGEFRXXBQPOY-XNMGPUDCSA-N 0 0 495.712 4.598 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763391 1064379683 /nfs/dbraw/zinc/37/96/83/1064379683.db2.gz JHPRYPMXIPULRE-AUSIDOKSSA-N 0 0 474.621 4.841 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccccc1 ZINC001434964397 1064379581 /nfs/dbraw/zinc/37/95/81/1064379581.db2.gz MAGBDJOXXPAQRM-QOKNQOGYSA-N 0 0 451.311 4.913 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)c(Br)c1 ZINC001434964531 1064379793 /nfs/dbraw/zinc/37/97/93/1064379793.db2.gz YQDOSXBQMGEWCO-GOSISDBHSA-N 0 0 458.183 4.559 20 0 JJADRN O=C(Nc1ccc(Br)cc1F)[C@@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC001434964394 1064379925 /nfs/dbraw/zinc/37/99/25/1064379925.db2.gz MAGBDJOXXPAQRM-OGWOLHLISA-N 0 0 451.311 4.913 20 0 JJADRN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001434965498 1064380466 /nfs/dbraw/zinc/38/04/66/1064380466.db2.gz AHRIFPCIVSVCQR-OAHLLOKOSA-N 0 0 455.393 4.501 20 0 JJADRN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001434965497 1064380514 /nfs/dbraw/zinc/38/05/14/1064380514.db2.gz AHRIFPCIVSVCQR-HNNXBMFYSA-N 0 0 455.393 4.501 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)cc1 ZINC001434965391 1064380614 /nfs/dbraw/zinc/38/06/14/1064380614.db2.gz JRTIOILJAZGFDN-KRWDZBQOSA-N 0 0 451.032 4.905 20 0 JJADRN COc1ccc(CCNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1OC(F)F ZINC001434966294 1064381366 /nfs/dbraw/zinc/38/13/66/1064381366.db2.gz OBXSBTLGPGBLSL-UHFFFAOYSA-N 0 0 455.505 4.859 20 0 JJADRN COc1ccc(CCNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1OC(F)F ZINC001434966392 1064382062 /nfs/dbraw/zinc/38/20/62/1064382062.db2.gz OWLMCFMCTUJXCG-UHFFFAOYSA-N 0 0 454.473 4.546 20 0 JJADRN Cc1ccc(CC(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1 ZINC001434966550 1064382096 /nfs/dbraw/zinc/38/20/96/1064382096.db2.gz GXNWEAJSKCLLKB-JOCHJYFZSA-N 0 0 452.551 4.733 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001359764077 1064382396 /nfs/dbraw/zinc/38/23/96/1064382396.db2.gz VBDXFOVPYMRXME-UPVQGACJSA-N 0 0 481.685 4.768 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NCc2ccc(OC)cc2C(F)(F)F)c1F ZINC001434966909 1064382669 /nfs/dbraw/zinc/38/26/69/1064382669.db2.gz JKZKWNRNABQJSX-UHFFFAOYSA-N 0 0 450.226 4.944 20 0 JJADRN Cc1nn(CC(=O)OCc2nnc(-c3ccccc3)o2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001434967660 1064382889 /nfs/dbraw/zinc/38/28/89/1064382889.db2.gz BELHLNSXMMMBSF-UHFFFAOYSA-N 0 0 459.428 4.675 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1 ZINC001434967869 1064383526 /nfs/dbraw/zinc/38/35/26/1064383526.db2.gz NGWRMZKBPAOLTA-UHFFFAOYSA-N 0 0 458.555 4.759 20 0 JJADRN Cc1cccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CCCC2)c1 ZINC001434968641 1064384088 /nfs/dbraw/zinc/38/40/88/1064384088.db2.gz RDHMUOHYKKOJMJ-SFHVURJKSA-N 0 0 455.396 4.739 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)C[C@@H](C)C2)c1 ZINC001359764770 1064385329 /nfs/dbraw/zinc/38/53/29/1064385329.db2.gz IZGONJQQBZHMEU-NHCUHLMSSA-N 0 0 460.626 4.779 20 0 JJADRN CC(C)C[C@H](C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001434969899 1064385641 /nfs/dbraw/zinc/38/56/41/1064385641.db2.gz WBTXIDGXTWWRDW-OAFZBRQQSA-N 0 0 451.394 4.579 20 0 JJADRN CC(C)[C@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1nc(-c2cccnc2)no1 ZINC001434970988 1064385708 /nfs/dbraw/zinc/38/57/08/1064385708.db2.gz DFRZNSJLFGFQBL-SFHVURJKSA-N 0 0 455.356 4.730 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1nc(-c2ccncc2)no1 ZINC001434972132 1064386405 /nfs/dbraw/zinc/38/64/05/1064386405.db2.gz SMSVNTWBQRJFFX-FQEVSTJZSA-N 0 0 451.527 4.535 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1 ZINC001434971447 1064386524 /nfs/dbraw/zinc/38/65/24/1064386524.db2.gz HDOMISNMYHCTRP-ROUUACIJSA-N 0 0 455.555 4.648 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001434972292 1064387157 /nfs/dbraw/zinc/38/71/57/1064387157.db2.gz BYFDWAISZGPPQI-UHFFFAOYSA-N 0 0 455.917 4.966 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1nc(-c2cccnc2)no1 ZINC001434972215 1064387279 /nfs/dbraw/zinc/38/72/79/1064387279.db2.gz VFLMOXOOEPTHCQ-OAHLLOKOSA-N 0 0 453.699 4.814 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)c1ccc(C)cc1 ZINC001434973264 1064387968 /nfs/dbraw/zinc/38/79/68/1064387968.db2.gz IFCPJUODCARALS-IFMALSPDSA-N 0 0 456.384 4.554 20 0 JJADRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001434973795 1064388082 /nfs/dbraw/zinc/38/80/82/1064388082.db2.gz DKEASLLSUOCHIP-UHFFFAOYSA-N 0 0 455.482 4.632 20 0 JJADRN COCCCOc1cccc(C(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c1C ZINC001434973161 1064388105 /nfs/dbraw/zinc/38/81/05/1064388105.db2.gz ICWYGUSQTZGMSS-HXUWFJFHSA-N 0 0 454.350 4.703 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)c2nccs2)c1 ZINC001359765567 1064388278 /nfs/dbraw/zinc/38/82/78/1064388278.db2.gz YQTKPXCAXWSLFC-CTNGQTDRSA-N 0 0 496.681 4.901 20 0 JJADRN Cc1cc(C)c(CC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1Br ZINC001434973991 1064388676 /nfs/dbraw/zinc/38/86/76/1064388676.db2.gz LGCTYMKJHCLKMD-UHFFFAOYSA-N 0 0 453.421 4.680 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)COc1cccc(C(F)(F)F)c1 ZINC001434975367 1064390463 /nfs/dbraw/zinc/39/04/63/1064390463.db2.gz PTRNUZWDNONXCI-KRWDZBQOSA-N 0 0 450.240 4.764 20 0 JJADRN C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)c1c(F)cccc1F ZINC001434976458 1064392069 /nfs/dbraw/zinc/39/20/69/1064392069.db2.gz LKGDXWPRNKUHGH-ZDUSSCGKSA-N 0 0 451.311 4.708 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001434976498 1064392205 /nfs/dbraw/zinc/39/22/05/1064392205.db2.gz VWOHBQKGOULGAS-OAQYLSRUSA-N 0 0 459.315 4.638 20 0 JJADRN NC(=O)c1ccn(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)cc2)n1 ZINC001434976895 1064392867 /nfs/dbraw/zinc/39/28/67/1064392867.db2.gz PBNPEUIIZGMZMZ-UHFFFAOYSA-N 0 0 456.468 4.831 20 0 JJADRN O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001434979714 1064395181 /nfs/dbraw/zinc/39/51/81/1064395181.db2.gz WDOFNJRZQNATFQ-UHFFFAOYSA-N 0 0 457.702 4.872 20 0 JJADRN COCc1c(Br)cccc1NC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434979273 1064395301 /nfs/dbraw/zinc/39/53/01/1064395301.db2.gz UXTBLNKWYBAIKX-VFNWGFHPSA-N 0 0 453.377 4.571 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)Cc3ccc(Br)cc3C)s2)c1 ZINC001434982565 1064398962 /nfs/dbraw/zinc/39/89/62/1064398962.db2.gz UOLWQDNIMPQRSE-UHFFFAOYSA-N 0 0 459.365 4.773 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 ZINC001434982870 1064399279 /nfs/dbraw/zinc/39/92/79/1064399279.db2.gz CRIOCHILCDTDPH-FGZHOGPDSA-N 0 0 464.606 4.569 20 0 JJADRN CCCCOc1ccc(C(=O)Oc2cc(C(=O)N3CCSCC3)ccc2C)cc1OCC ZINC001434983545 1064399315 /nfs/dbraw/zinc/39/93/15/1064399315.db2.gz AAJLCHCZHYIEMN-UHFFFAOYSA-N 0 0 457.592 4.981 20 0 JJADRN C/C(=C\C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001434982636 1064399405 /nfs/dbraw/zinc/39/94/05/1064399405.db2.gz XIKBRABCWDXFLJ-WUKNDPDISA-N 0 0 454.523 4.878 20 0 JJADRN CCC[C@H](OCC)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I ZINC001434984166 1064400282 /nfs/dbraw/zinc/40/02/82/1064400282.db2.gz BHKCKPUQPGQDMP-RBUKOAKNSA-N 0 0 455.311 4.841 20 0 JJADRN COc1cc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cc(Br)c1OC ZINC001434983865 1064400358 /nfs/dbraw/zinc/40/03/58/1064400358.db2.gz JKBUNTHATCGDCO-UHFFFAOYSA-N 0 0 456.764 4.904 20 0 JJADRN Cc1cccc(CCNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 ZINC001434985189 1064401009 /nfs/dbraw/zinc/40/10/09/1064401009.db2.gz WMXKXORBPILNIY-UHFFFAOYSA-N 0 0 451.364 4.911 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1C[C@H]1C1CCOCC1 ZINC001434985099 1064401073 /nfs/dbraw/zinc/40/10/73/1064401073.db2.gz DMYFQJRSZZGZQV-ZVDOUQERSA-N 0 0 479.333 4.699 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1OC ZINC001434985351 1064401116 /nfs/dbraw/zinc/40/11/16/1064401116.db2.gz DDCJHWJOIATMBN-LJQANCHMSA-N 0 0 458.558 4.653 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2(Sc3ccccc3)CC2)CC1 ZINC001434984617 1064401209 /nfs/dbraw/zinc/40/12/09/1064401209.db2.gz DAGBAGVDBHSHRK-UHFFFAOYSA-N 0 0 459.409 4.951 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1OC ZINC001434987027 1064402610 /nfs/dbraw/zinc/40/26/10/1064402610.db2.gz IQDREUZWNADNPM-FQEVSTJZSA-N 0 0 450.579 4.585 20 0 JJADRN O=C(Nc1cc(F)c(I)c(F)c1)c1ccc(Br)c(F)c1 ZINC001434988000 1064403743 /nfs/dbraw/zinc/40/37/43/1064403743.db2.gz HLAPGQOLBVQWCL-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3C(F)(F)F)CC2=O)cc1F ZINC001434988633 1064404486 /nfs/dbraw/zinc/40/44/86/1064404486.db2.gz QGDDCXNBUQLMBZ-MRXNPFEDSA-N 0 0 452.448 4.609 20 0 JJADRN Cc1c(Br)cccc1NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001434988551 1064404541 /nfs/dbraw/zinc/40/45/41/1064404541.db2.gz JZIIKTHVDWDPCT-KRWDZBQOSA-N 0 0 451.283 4.886 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC001434988857 1064405128 /nfs/dbraw/zinc/40/51/28/1064405128.db2.gz RTJWSJIDCZZBSZ-UHFFFAOYSA-N 0 0 450.745 4.993 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3C(F)(F)F)CC2=O)ccc1F ZINC001434989713 1064406268 /nfs/dbraw/zinc/40/62/68/1064406268.db2.gz WCCWRWBDJHRDIG-MRXNPFEDSA-N 0 0 452.448 4.609 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)NCCc2ccc(I)s2)c1 ZINC001434990801 1064406927 /nfs/dbraw/zinc/40/69/27/1064406927.db2.gz ZIMDVORTSITHMA-UHFFFAOYSA-N 0 0 457.377 4.878 20 0 JJADRN O=C(OCc1nc2cccnc2[nH]1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001434992301 1064407418 /nfs/dbraw/zinc/40/74/18/1064407418.db2.gz XVCLQTUDWRPBPN-UHFFFAOYSA-N 0 0 459.687 4.918 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1 ZINC001434993255 1064408385 /nfs/dbraw/zinc/40/83/85/1064408385.db2.gz VVCZQNHSAXZFLB-UHFFFAOYSA-N 0 0 455.532 4.687 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC001434994827 1064409926 /nfs/dbraw/zinc/40/99/26/1064409926.db2.gz DYXJSTHEMOXSFM-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN O=C(CCCc1ccccc1)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001434996007 1064410652 /nfs/dbraw/zinc/41/06/52/1064410652.db2.gz GKVPIDCOFSMMBO-UHFFFAOYSA-N 0 0 456.586 4.502 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccn(Cc2ccccn2)n1 ZINC001434996761 1064411575 /nfs/dbraw/zinc/41/15/75/1064411575.db2.gz AZPBSQACTQJKOT-UHFFFAOYSA-N 0 0 457.321 4.645 20 0 JJADRN CCC[C@H]1CCc2nc(NC(=O)[C@]3(COC)CCCCN3C(=O)OC(C)(C)C)sc2C1 ZINC001434996382 1064411722 /nfs/dbraw/zinc/41/17/22/1064411722.db2.gz JTAUSLVTVMUFFE-QMHKHESXSA-N 0 0 451.633 4.793 20 0 JJADRN CC(C)CC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCn2cccn2)CC1 ZINC001359773576 1064412995 /nfs/dbraw/zinc/41/29/95/1064412995.db2.gz SPMMVDYYIAHZIP-UHFFFAOYSA-N 0 0 457.420 4.867 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC001434999290 1064413675 /nfs/dbraw/zinc/41/36/75/1064413675.db2.gz WSBUNIOKNOKWBV-MRXNPFEDSA-N 0 0 454.368 4.629 20 0 JJADRN CC(C)CC1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cscn2)CC1 ZINC001359773887 1064413705 /nfs/dbraw/zinc/41/37/05/1064413705.db2.gz CHQQGKQGHIDMHG-HDICACEKSA-N 0 0 474.675 4.968 20 0 JJADRN COc1cc(OC)c(OC)cc1CNC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC001435000216 1064414560 /nfs/dbraw/zinc/41/45/60/1064414560.db2.gz VJHNAVUSVSMUFK-UHFFFAOYSA-N 0 0 451.548 4.660 20 0 JJADRN CC(C)CC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001359774083 1064414569 /nfs/dbraw/zinc/41/45/69/1064414569.db2.gz IAQIWWYMZAOCLG-NRFANRHFSA-N 0 0 475.678 4.740 20 0 JJADRN CC(C)CC1(Cn2c(CCc3ccccc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001359774173 1064414642 /nfs/dbraw/zinc/41/46/42/1064414642.db2.gz KOKOUYURHNPTLL-HXUWFJFHSA-N 0 0 463.592 4.962 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)Nc1ccc(N3CCSCC3)c(Cl)c1)CC2 ZINC001435000916 1064415499 /nfs/dbraw/zinc/41/54/99/1064415499.db2.gz KBXZZSWZUCDGQT-UHFFFAOYSA-N 0 0 452.020 4.764 20 0 JJADRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2c(F)ccc(F)c2F)c1 ZINC001435001842 1064416990 /nfs/dbraw/zinc/41/69/90/1064416990.db2.gz ULCBFNFYHJBYIF-UHFFFAOYSA-N 0 0 450.214 4.766 20 0 JJADRN CO[C@@](C)(C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)C(=O)OC(C)(C)C ZINC001435002317 1064417204 /nfs/dbraw/zinc/41/72/04/1064417204.db2.gz OODWZKMHWYXONO-QFIPXVFZSA-N 0 0 450.988 4.950 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)/C=C/c2cccc(OC3CCCC3)c2)ccc1Br ZINC001435003286 1064418530 /nfs/dbraw/zinc/41/85/30/1064418530.db2.gz CJTVRQDYBQOQFX-FMIVXFBMSA-N 0 0 457.368 4.847 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1Cc1ncnn1C(C)(C)C ZINC001359776467 1064419691 /nfs/dbraw/zinc/41/96/91/1064419691.db2.gz LDRHRKXVYSJMFP-SFHVURJKSA-N 0 0 492.441 4.781 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cc(F)ccc1F ZINC001359777373 1064421230 /nfs/dbraw/zinc/42/12/30/1064421230.db2.gz IGFRGSWVGOUSSY-UHFFFAOYSA-N 0 0 463.573 4.639 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCC3(c4c(F)cccc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435006291 1064421922 /nfs/dbraw/zinc/42/19/22/1064421922.db2.gz JMRYLFTUOHVIQO-DVECYGJZSA-N 0 0 456.533 4.511 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001359778165 1064422989 /nfs/dbraw/zinc/42/29/89/1064422989.db2.gz AFORKGYYAPDHMT-KRWDZBQOSA-N 0 0 453.553 4.721 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1C[C@H]1CCCc2cccnc21 ZINC001359778576 1064423515 /nfs/dbraw/zinc/42/35/15/1064423515.db2.gz MVGURGPBUGCHOI-ZJSXRUAMSA-N 0 0 474.653 4.648 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001435007678 1064423593 /nfs/dbraw/zinc/42/35/93/1064423593.db2.gz BPIZFGYVJSRXAP-UHFFFAOYSA-N 0 0 455.923 4.853 20 0 JJADRN CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1I ZINC001435008041 1064423617 /nfs/dbraw/zinc/42/36/17/1064423617.db2.gz DLXGQBSUEKJQIX-CQSZACIVSA-N 0 0 458.137 4.805 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)c1)c1ccoc1 ZINC001435007848 1064423707 /nfs/dbraw/zinc/42/37/07/1064423707.db2.gz XLPOAARSHSDDMD-UHFFFAOYSA-N 0 0 456.495 4.640 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)c1ccc(SC)cc1 ZINC001435008075 1064423783 /nfs/dbraw/zinc/42/37/83/1064423783.db2.gz IQQUANSTIRSBKX-QFIPXVFZSA-N 0 0 452.532 4.639 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1Cc1cccnc1OC1CCCC1 ZINC001359778443 1064423556 /nfs/dbraw/zinc/42/35/56/1064423556.db2.gz JLCYZJPJVXUWAY-UHFFFAOYSA-N 0 0 497.043 4.970 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1Cc1csc2ccccc12 ZINC001359778667 1064423841 /nfs/dbraw/zinc/42/38/41/1064423841.db2.gz PFLLLAVPOPSMOJ-UHFFFAOYSA-N 0 0 455.672 4.534 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1CCSC(C)C ZINC001545888158 1064426818 /nfs/dbraw/zinc/42/68/18/1064426818.db2.gz AUQDJUCXEPQLRQ-UHFFFAOYSA-N 0 0 450.052 4.554 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359779704 1064427102 /nfs/dbraw/zinc/42/71/02/1064427102.db2.gz WABGFRCYLCLHRW-FUMNGEBKSA-N 0 0 488.702 4.676 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CCSC(F)(F)F ZINC001359779809 1064427151 /nfs/dbraw/zinc/42/71/51/1064427151.db2.gz ZEXBPNZHOOTPGY-UHFFFAOYSA-N 0 0 482.475 4.696 20 0 JJADRN O=C([C@@H]1CCOc2ccc(Br)cc21)N(CCc1ccccc1)Cc1ccncc1 ZINC001435012367 1064428051 /nfs/dbraw/zinc/42/80/51/1064428051.db2.gz ALAOSMFMXBRTJY-OAQYLSRUSA-N 0 0 451.364 4.982 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc2cncc(Br)c2n1 ZINC001435012779 1064428613 /nfs/dbraw/zinc/42/86/13/1064428613.db2.gz DCJAWCMRULGQHV-UHFFFAOYSA-N 0 0 450.258 4.873 20 0 JJADRN CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(Br)ccc2Sc2nncn2C)CCO1 ZINC001435012479 1064428749 /nfs/dbraw/zinc/42/87/49/1064428749.db2.gz CKAJCNCRHKCFJF-XJKSGUPXSA-N 0 0 453.406 4.509 20 0 JJADRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001435014261 1064431623 /nfs/dbraw/zinc/43/16/23/1064431623.db2.gz RFWFUHKAFNAHCL-UHFFFAOYSA-N 0 0 458.736 4.787 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359781651 1064432237 /nfs/dbraw/zinc/43/22/37/1064432237.db2.gz PSNYWANYXHXQQT-JXFKEZNVSA-N 0 0 470.584 4.707 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359781545 1064432309 /nfs/dbraw/zinc/43/23/09/1064432309.db2.gz LQZMEYXXKNVJMW-UHFFFAOYSA-N 0 0 464.614 4.733 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2OC2CCCC2)c1 ZINC001435015470 1064432370 /nfs/dbraw/zinc/43/23/70/1064432370.db2.gz BBLIGTMLMFFVGM-UHFFFAOYSA-N 0 0 451.350 4.943 20 0 JJADRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc2)c1 ZINC001435014880 1064432470 /nfs/dbraw/zinc/43/24/70/1064432470.db2.gz MTTRUMJHXUYGGM-OAQYLSRUSA-N 0 0 453.542 4.919 20 0 JJADRN COCCOc1ccc(F)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001435015309 1064432612 /nfs/dbraw/zinc/43/26/12/1064432612.db2.gz KDAROMHZRDGMDS-UHFFFAOYSA-N 0 0 452.269 4.992 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359781666 1064433341 /nfs/dbraw/zinc/43/33/41/1064433341.db2.gz PWKXPCFVNQVJNV-FGZHOGPDSA-N 0 0 450.631 4.563 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359781998 1064433389 /nfs/dbraw/zinc/43/33/89/1064433389.db2.gz CPJLHHRHQYVQNG-IAGOWNOFSA-N 0 0 451.059 4.730 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2csc(Br)c2)n1Cc1nncn1-c1ccccc1 ZINC001359782053 1064434084 /nfs/dbraw/zinc/43/40/84/1064434084.db2.gz FCOSKNCVMHBABQ-UHFFFAOYSA-N 0 0 486.443 4.566 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc3ccccc3s2)n1Cc1ccc(OC(C)C)nc1 ZINC001359782227 1064434140 /nfs/dbraw/zinc/43/41/40/1064434140.db2.gz MDPPJEFRPQFLNN-UHFFFAOYSA-N 0 0 450.612 4.953 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1Cc1cscc1C(F)(F)F ZINC001359782211 1064434193 /nfs/dbraw/zinc/43/41/93/1064434193.db2.gz LNFGNRABTDARSI-UHFFFAOYSA-N 0 0 475.544 4.822 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1ccc(C(=O)NCc3cccc(C)c3)cc1)O[C@H](C)C2 ZINC001435017526 1064434404 /nfs/dbraw/zinc/43/44/04/1064434404.db2.gz HSIGKKPNYWHGFS-LJQANCHMSA-N 0 0 458.558 4.577 20 0 JJADRN CC(C)Cc1nnc(N(C)CCC(F)(F)F)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001359783499 1064435127 /nfs/dbraw/zinc/43/51/27/1064435127.db2.gz ATWMAHMYYFMYAX-UHFFFAOYSA-N 0 0 452.447 4.781 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001435018704 1064435008 /nfs/dbraw/zinc/43/50/08/1064435008.db2.gz XLLQMEAQJHWLQV-UHFFFAOYSA-N 0 0 453.308 4.961 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1cnc2c(F)ccc(F)c2c1)[C@H](C)c1ccccn1 ZINC001435017997 1064435034 /nfs/dbraw/zinc/43/50/34/1064435034.db2.gz MCHVNXNWPHHNCJ-CQSZACIVSA-N 0 0 451.429 4.691 20 0 JJADRN CC(C)Cc1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001359783967 1064436188 /nfs/dbraw/zinc/43/61/88/1064436188.db2.gz ONIQUHMRLVOQBJ-XUZZJYLKSA-N 0 0 491.474 4.646 20 0 JJADRN CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359784526 1064437632 /nfs/dbraw/zinc/43/76/32/1064437632.db2.gz FJLVSSGTZYIVNP-UHFFFAOYSA-N 0 0 465.429 4.732 20 0 JJADRN Cc1cccc(Cl)c1CC(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC001435020747 1064437825 /nfs/dbraw/zinc/43/78/25/1064437825.db2.gz XGZZCSRSOMXACV-UHFFFAOYSA-N 0 0 451.777 4.872 20 0 JJADRN O=C(NCCCc1nc2c(s1)CCCC2)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001435020730 1064437884 /nfs/dbraw/zinc/43/78/84/1064437884.db2.gz DILYMRKXMDORQJ-UHFFFAOYSA-N 0 0 452.477 4.728 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)o1 ZINC001435021030 1064438777 /nfs/dbraw/zinc/43/87/77/1064438777.db2.gz PJXXMJPIUTXBIY-UHFFFAOYSA-N 0 0 450.539 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC1CCC(OC)CC1 ZINC001545888218 1064438834 /nfs/dbraw/zinc/43/88/34/1064438834.db2.gz CPVYSWPLANPDMT-UHFFFAOYSA-N 0 0 474.049 4.618 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2cccc(N=S(C)(C)=O)c2)c2ccccc2)cc1OC ZINC001435021562 1064439689 /nfs/dbraw/zinc/43/96/89/1064439689.db2.gz ZNRCBNGUIJBIKO-QFIPXVFZSA-N 0 0 452.576 4.777 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359785788 1064439791 /nfs/dbraw/zinc/43/97/91/1064439791.db2.gz ZHNRPDSNQBFJAD-FQEVSTJZSA-N 0 0 489.636 4.778 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)cc1 ZINC001435022178 1064440207 /nfs/dbraw/zinc/44/02/07/1064440207.db2.gz XFXYMQBJGHLNCH-OAQYLSRUSA-N 0 0 455.558 4.804 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3c(C(F)F)nc4cnccn43)cc2)cc1 ZINC001435022199 1064440422 /nfs/dbraw/zinc/44/04/22/1064440422.db2.gz YHMQFLFYZCORDS-QGZVFWFLSA-N 0 0 450.489 4.915 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)Cc2ccco2)n1CCC(=O)N1CCCCCC1 ZINC001359786798 1064440670 /nfs/dbraw/zinc/44/06/70/1064440670.db2.gz JTCXRMNLFCZJOD-UHFFFAOYSA-N 0 0 453.587 4.662 20 0 JJADRN COc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1OCc1ccc2ccccc2n1 ZINC001435024324 1064441326 /nfs/dbraw/zinc/44/13/26/1064441326.db2.gz ABZRRVCLLKQBKB-UHFFFAOYSA-N 0 0 456.424 4.827 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001435025016 1064442136 /nfs/dbraw/zinc/44/21/36/1064442136.db2.gz OAHFWCZOIPXXET-UHFFFAOYSA-N 0 0 456.901 4.938 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CCc1ccsc1 ZINC001359787393 1064442191 /nfs/dbraw/zinc/44/21/91/1064442191.db2.gz BPVSRXKAYGNVCR-UHFFFAOYSA-N 0 0 481.435 4.681 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1=O ZINC001435026643 1064444665 /nfs/dbraw/zinc/44/46/65/1064444665.db2.gz GQGZULKMLZQORY-FQEVSTJZSA-N 0 0 458.514 4.605 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001359788902 1064444861 /nfs/dbraw/zinc/44/48/61/1064444861.db2.gz JRNCDTKXYXLTGV-XLIONFOSSA-N 0 0 475.515 4.868 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1SCCc2ccccc21 ZINC001359788908 1064444872 /nfs/dbraw/zinc/44/48/72/1064444872.db2.gz JVIKDTLLRRMBLJ-NYVOZVTQSA-N 0 0 485.698 4.857 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1cccc(Br)c1 ZINC001359788978 1064444959 /nfs/dbraw/zinc/44/49/59/1064444959.db2.gz AEGLZVUOAWBDBZ-MRXNPFEDSA-N 0 0 452.356 4.828 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001435028604 1064445447 /nfs/dbraw/zinc/44/54/47/1064445447.db2.gz RMTWZXZNRAFEJC-HXUWFJFHSA-N 0 0 453.341 4.521 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(Cl)cc1F ZINC001359789304 1064445458 /nfs/dbraw/zinc/44/54/58/1064445458.db2.gz MXXWBVIHCXBKCK-KXBFYZLASA-N 0 0 466.001 4.667 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCc1ccccc1F ZINC001359789427 1064445631 /nfs/dbraw/zinc/44/56/31/1064445631.db2.gz OCBQKYRCANSLGG-WIYYLYMNSA-N 0 0 459.610 4.598 20 0 JJADRN COc1ccc(Cl)c2c1N(C(=O)[C@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)CCC2 ZINC001435029280 1064446315 /nfs/dbraw/zinc/44/63/15/1064446315.db2.gz QAWXYPFVFNDTHB-LBPRGKRZSA-N 0 0 453.753 4.988 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CCC(C)(F)F ZINC001545888268 1064446347 /nfs/dbraw/zinc/44/63/47/1064446347.db2.gz FOCMMYKLFJGMNJ-ZDUSSCGKSA-N 0 0 455.500 4.644 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1sccc1Br ZINC001359789557 1064446360 /nfs/dbraw/zinc/44/63/60/1064446360.db2.gz PORUQWWBKKNMIP-SMDDNHRTSA-N 0 0 467.355 4.505 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001359790170 1064446582 /nfs/dbraw/zinc/44/65/82/1064446582.db2.gz UDAVTKYKZIWPMI-AVRDEDQJSA-N 0 0 466.630 4.550 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)cc1Cl ZINC001359790929 1064448144 /nfs/dbraw/zinc/44/81/44/1064448144.db2.gz ZNCJURSJDJJGNQ-UZLBHIALSA-N 0 0 480.028 4.861 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1)c1ccccc1 ZINC001359791045 1064448237 /nfs/dbraw/zinc/44/82/37/1064448237.db2.gz XCPOTYUEHJJUIJ-PMACEKPBSA-N 0 0 450.604 4.822 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001359791241 1064448304 /nfs/dbraw/zinc/44/83/04/1064448304.db2.gz APUSYCSRQAXBOY-PKOBYXMFSA-N 0 0 457.420 4.518 20 0 JJADRN CCOc1ccc(N(C(=O)Cc2nc(C)c(C)s2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435032245 1064449374 /nfs/dbraw/zinc/44/93/74/1064449374.db2.gz DDACAFSJESEPTI-UHFFFAOYSA-N 0 0 455.546 4.761 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001359792234 1064449271 /nfs/dbraw/zinc/44/92/71/1064449271.db2.gz ITLXOSSPFIOFFG-UQJUWTFNSA-N 0 0 458.603 4.551 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359792136 1064449418 /nfs/dbraw/zinc/44/94/18/1064449418.db2.gz HWFGLAPXPJQOBN-ICSRJNTNSA-N 0 0 493.599 4.603 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001359792233 1064449449 /nfs/dbraw/zinc/44/94/49/1064449449.db2.gz ITLXOSSPFIOFFG-JBUDQFAYSA-N 0 0 458.603 4.551 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359792424 1064450065 /nfs/dbraw/zinc/45/00/65/1064450065.db2.gz JQDLCPMATKGWJP-DYESRHJHSA-N 0 0 466.548 4.608 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359792741 1064450098 /nfs/dbraw/zinc/45/00/98/1064450098.db2.gz LXQMBJSXSSTECX-XTQVGHSUSA-N 0 0 495.437 4.724 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359792426 1064450139 /nfs/dbraw/zinc/45/01/39/1064450139.db2.gz JQDLCPMATKGWJP-UTKZUKDTSA-N 0 0 466.548 4.608 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359792739 1064450186 /nfs/dbraw/zinc/45/01/86/1064450186.db2.gz LXQMBJSXSSTECX-NYDSKATKSA-N 0 0 495.437 4.724 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)CCc4ccc(F)cc4F)cc32)c1 ZINC001435034168 1064450933 /nfs/dbraw/zinc/45/09/33/1064450933.db2.gz YYHMWHDVJFWWHX-UHFFFAOYSA-N 0 0 450.485 4.677 20 0 JJADRN CCC(CC)(CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC001435033849 1064450995 /nfs/dbraw/zinc/45/09/95/1064450995.db2.gz LLDZXIUARZOXML-XIRDDKMYSA-N 0 0 453.410 4.731 20 0 JJADRN CCN(C(=O)c1ccc(OCC(F)(F)F)cn1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034235 1064451005 /nfs/dbraw/zinc/45/10/05/1064451005.db2.gz HBWYEEXBQMJHOO-HXUWFJFHSA-N 0 0 451.395 4.948 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC001435033846 1064451056 /nfs/dbraw/zinc/45/10/56/1064451056.db2.gz LLDZXIUARZOXML-OIISXLGYSA-N 0 0 453.410 4.731 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 ZINC001435035036 1064452025 /nfs/dbraw/zinc/45/20/25/1064452025.db2.gz ZKPSTXGIVIOVAZ-INIZCTEOSA-N 0 0 459.493 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1[C@@H]1C[C@@H]1C ZINC001545888321 1064452664 /nfs/dbraw/zinc/45/26/64/1064452664.db2.gz HONDQERDYUOYBT-HTAPYJJXSA-N 0 0 453.631 4.765 20 0 JJADRN NC(=O)c1c(NC(=O)c2ccc(OCC(F)(F)F)o2)sc2c1-c1ccccc1CCC2 ZINC001435037672 1064453805 /nfs/dbraw/zinc/45/38/05/1064453805.db2.gz JTPLYWWMKHVONX-UHFFFAOYSA-N 0 0 450.438 4.789 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359795463 1064454276 /nfs/dbraw/zinc/45/42/76/1064454276.db2.gz IZUISCZTFJWCHE-IRXDYDNUSA-N 0 0 451.541 4.557 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC001435038333 1064454694 /nfs/dbraw/zinc/45/46/94/1064454694.db2.gz SEBFZHHOPSCXSB-JOCHJYFZSA-N 0 0 454.473 4.840 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001435039624 1064456247 /nfs/dbraw/zinc/45/62/47/1064456247.db2.gz QKNHNRULLCLWNN-NRFANRHFSA-N 0 0 455.603 4.860 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC001435039817 1064456356 /nfs/dbraw/zinc/45/63/56/1064456356.db2.gz MXBPNTOEIHBCRU-SECBINFHSA-N 0 0 459.237 4.983 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001359796719 1064457053 /nfs/dbraw/zinc/45/70/53/1064457053.db2.gz IQTGTNPWCMYZKM-FQEVSTJZSA-N 0 0 485.648 4.749 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC001435040530 1064457117 /nfs/dbraw/zinc/45/71/17/1064457117.db2.gz OJPQOOMVPNELEU-UHFFFAOYSA-N 0 0 458.537 4.957 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21)c1ccccc1 ZINC001435042215 1064458840 /nfs/dbraw/zinc/45/88/40/1064458840.db2.gz PKLFUKDQQYUICR-MUUNZHRXSA-N 0 0 456.542 4.825 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C3=Cc4cc(F)ccc4OC3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001359797667 1064459809 /nfs/dbraw/zinc/45/98/09/1064459809.db2.gz LAMAPUAPNKDHMI-ZIAGYGMSSA-N 0 0 450.432 4.873 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001359797673 1064459939 /nfs/dbraw/zinc/45/99/39/1064459939.db2.gz LFZBXEOUZOSQCP-FGTMMUONSA-N 0 0 450.501 4.905 20 0 JJADRN CCCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(OC2CCCC2)c1 ZINC001435043266 1064459964 /nfs/dbraw/zinc/45/99/64/1064459964.db2.gz FIXZHNUQUNNLPU-UHFFFAOYSA-N 0 0 450.579 4.849 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC001359798014 1064460763 /nfs/dbraw/zinc/46/07/63/1064460763.db2.gz RXEBGXGSCNTOEH-GOSISDBHSA-N 0 0 456.542 4.588 20 0 JJADRN COc1cc(C)c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1OC ZINC001359797840 1064460798 /nfs/dbraw/zinc/46/07/98/1064460798.db2.gz PRARYWSAPRNIAA-GASCZTMLSA-N 0 0 452.473 4.897 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001359798153 1064461331 /nfs/dbraw/zinc/46/13/31/1064461331.db2.gz DZYLFXWVQFLEIT-UHFFFAOYSA-N 0 0 483.501 4.589 20 0 JJADRN COC(=O)CC[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 ZINC001435047158 1064462755 /nfs/dbraw/zinc/46/27/55/1064462755.db2.gz VFWAOXQITHZMLV-NRFANRHFSA-N 0 0 456.336 4.792 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359798777 1064463136 /nfs/dbraw/zinc/46/31/36/1064463136.db2.gz PLTIXHOUFVZSFR-KURKYZTESA-N 0 0 455.594 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccccn1 ZINC001359798682 1064463147 /nfs/dbraw/zinc/46/31/47/1064463147.db2.gz NDRYMAJENHASGG-WOJBJXKFSA-N 0 0 470.662 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCOc1ccccc1Cl ZINC001359798884 1064463967 /nfs/dbraw/zinc/46/39/67/1064463967.db2.gz SHESQDBOYVASDU-NRFANRHFSA-N 0 0 474.955 4.739 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC ZINC001435048699 1064466284 /nfs/dbraw/zinc/46/62/84/1064466284.db2.gz GLBROIQWWIPIHR-UHFFFAOYSA-N 0 0 455.986 4.926 20 0 JJADRN CSc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cn1 ZINC001359800147 1064466826 /nfs/dbraw/zinc/46/68/26/1064466826.db2.gz CNBCSJUVYZXPEC-INIZCTEOSA-N 0 0 452.374 4.771 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001435049354 1064467188 /nfs/dbraw/zinc/46/71/88/1064467188.db2.gz ONPQQVHZMDSVIU-UHFFFAOYSA-N 0 0 456.424 4.978 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OCc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049411 1064467291 /nfs/dbraw/zinc/46/72/91/1064467291.db2.gz LWQGPFPLKPZHIA-XLNZFTOWSA-N 0 0 455.574 4.501 20 0 JJADRN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001359800326 1064467952 /nfs/dbraw/zinc/46/79/52/1064467952.db2.gz GAFQLQDAKCCIEU-TWMPVWRBSA-N 0 0 456.583 4.936 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC001435050275 1064468169 /nfs/dbraw/zinc/46/81/69/1064468169.db2.gz WOFUHNPVLSUXDM-UHFFFAOYSA-N 0 0 458.946 4.621 20 0 JJADRN C[C@@H](Cc1cccs1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001359801292 1064468771 /nfs/dbraw/zinc/46/87/71/1064468771.db2.gz RQESPDBIGZBMIR-SUMWQHHRSA-N 0 0 453.402 4.824 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001435050725 1064469312 /nfs/dbraw/zinc/46/93/12/1064469312.db2.gz FWQPUGZDWQRKFT-JSGCOSHPSA-N 0 0 458.183 4.918 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001435051345 1064469394 /nfs/dbraw/zinc/46/93/94/1064469394.db2.gz PEANIIHWUSHQSC-JOCHJYFZSA-N 0 0 453.558 4.837 20 0 JJADRN CN(C(=O)c1cc(F)c(F)cc1I)[C@H](c1ccccc1)C(F)(F)F ZINC001435052029 1064469823 /nfs/dbraw/zinc/46/98/23/1064469823.db2.gz YIKOOGQDWMLYIG-CQSZACIVSA-N 0 0 455.164 4.945 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001435052063 1064470034 /nfs/dbraw/zinc/47/00/34/1064470034.db2.gz KEFSOMFMYBPMEJ-OAQYLSRUSA-N 0 0 457.412 4.882 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052896 1064471163 /nfs/dbraw/zinc/47/11/63/1064471163.db2.gz LTTWNLIIZHHKNW-KCZVDYSFSA-N 0 0 466.931 4.993 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1Cc1cccc(Br)n1 ZINC001359802873 1064471560 /nfs/dbraw/zinc/47/15/60/1064471560.db2.gz XHMQBHLXWGJZOP-UHFFFAOYSA-N 0 0 484.442 4.559 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3ccco3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359802825 1064471767 /nfs/dbraw/zinc/47/17/67/1064471767.db2.gz WOUWQCAGQQVNEK-ZDUSSCGKSA-N 0 0 456.900 4.518 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1CCc1ccc(O)cc1 ZINC001545888439 1064472009 /nfs/dbraw/zinc/47/20/09/1064472009.db2.gz MEWMYUMIIKZJRC-NRFANRHFSA-N 0 0 467.639 4.720 20 0 JJADRN C[C@H](C(=O)Nc1ccc(SC(=O)N(C)C)cc1)c1ccc(I)cc1 ZINC001359803579 1064472876 /nfs/dbraw/zinc/47/28/76/1064472876.db2.gz KYPWBCZNEUOYCJ-LBPRGKRZSA-N 0 0 454.333 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3cnn(C)c3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359804641 1064473409 /nfs/dbraw/zinc/47/34/09/1064473409.db2.gz DFPUBMQTDAQOPV-UHFFFAOYSA-N 0 0 464.511 4.800 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1 ZINC001435055956 1064473590 /nfs/dbraw/zinc/47/35/90/1064473590.db2.gz UKZQGVGRHNLZMR-GOSISDBHSA-N 0 0 458.312 4.636 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)c3cnc(Nc4ccccc4)nc3C(F)(F)F)o2)c1 ZINC001435055431 1064473689 /nfs/dbraw/zinc/47/36/89/1064473689.db2.gz CJTNEOMSBJCXNX-UHFFFAOYSA-N 0 0 455.396 4.954 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359804969 1064474459 /nfs/dbraw/zinc/47/44/59/1064474459.db2.gz IONAJHCIEOTWMM-MRXNPFEDSA-N 0 0 461.573 4.901 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359805228 1064474477 /nfs/dbraw/zinc/47/44/77/1064474477.db2.gz KZNHOMRJUVQFMZ-GOSISDBHSA-N 0 0 456.635 4.882 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(F)ccc1I ZINC001435057110 1064475422 /nfs/dbraw/zinc/47/54/22/1064475422.db2.gz MFPKHVRDLMPRBR-JTQLQIEISA-N 0 0 451.201 4.810 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545888488 1064475498 /nfs/dbraw/zinc/47/54/98/1064475498.db2.gz ODZLWHKSBHKVGH-OFVILXPXSA-N 0 0 474.049 4.760 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)Cc3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC001435057448 1064475599 /nfs/dbraw/zinc/47/55/99/1064475599.db2.gz OZSPSYGKSYBHNP-KRWDZBQOSA-N 0 0 453.526 4.848 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCCCc2nc3c(s2)CCCC3)n1 ZINC001359806687 1064476175 /nfs/dbraw/zinc/47/61/75/1064476175.db2.gz NZAAFLNXGMJHIF-UHFFFAOYSA-N 0 0 450.608 4.877 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(I)c(F)c1 ZINC001435057810 1064476191 /nfs/dbraw/zinc/47/61/91/1064476191.db2.gz ULPJRBHFGFREME-SNVBAGLBSA-N 0 0 451.201 4.810 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1CCCN(C)CC(F)(F)F ZINC001359806534 1064476353 /nfs/dbraw/zinc/47/63/53/1064476353.db2.gz ZGLMYDDYVHSKCL-IBGZPJMESA-N 0 0 455.544 4.569 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CCCN(C)CC(F)(F)F ZINC001359806544 1064476385 /nfs/dbraw/zinc/47/63/85/1064476385.db2.gz ZGLMYDDYVHSKCL-LJQANCHMSA-N 0 0 455.544 4.569 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435057887 1064476334 /nfs/dbraw/zinc/47/63/34/1064476334.db2.gz YXFZYTPSTPGPIY-LZQZEXGQSA-N 0 0 459.543 4.679 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001435058365 1064477111 /nfs/dbraw/zinc/47/71/11/1064477111.db2.gz YMLTWHROCPSDFN-LSDHHAIUSA-N 0 0 459.782 4.929 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001359806884 1064477331 /nfs/dbraw/zinc/47/73/31/1064477331.db2.gz WUVPOCKXCOWYGI-KNQAVFIVSA-N 0 0 452.977 4.909 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001435058218 1064477250 /nfs/dbraw/zinc/47/72/50/1064477250.db2.gz XGSALQVQMKCVBI-GFCCVEGCSA-N 0 0 453.511 4.766 20 0 JJADRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001435059991 1064478134 /nfs/dbraw/zinc/47/81/34/1064478134.db2.gz ZLUPXGFNHGFLDB-HNNXBMFYSA-N 0 0 458.527 4.696 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001435060751 1064478821 /nfs/dbraw/zinc/47/88/21/1064478821.db2.gz OBOAIRXHQKXXDG-JOCHJYFZSA-N 0 0 451.592 4.668 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC001435060358 1064478964 /nfs/dbraw/zinc/47/89/64/1064478964.db2.gz ADPNHGQAIMXUMC-HXUWFJFHSA-N 0 0 453.589 4.589 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001435060698 1064479037 /nfs/dbraw/zinc/47/90/37/1064479037.db2.gz NITKKKVVURJJOW-YADARESESA-N 0 0 458.583 4.870 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)cc(Br)c2C)c1C ZINC001435061770 1064479924 /nfs/dbraw/zinc/47/99/24/1064479924.db2.gz UCUNYKDVVOLOMV-GOSISDBHSA-N 0 0 451.361 4.667 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435063325 1064481659 /nfs/dbraw/zinc/48/16/59/1064481659.db2.gz AVUOLPCOAGHRFZ-WNSKOXEYSA-N 0 0 451.995 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001359809194 1064482548 /nfs/dbraw/zinc/48/25/48/1064482548.db2.gz JRJSWRCBHBXLHG-QGZVFWFLSA-N 0 0 466.001 4.668 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSc2cc(Cl)ccc2Cl)cc1 ZINC001435063520 1064482578 /nfs/dbraw/zinc/48/25/78/1064482578.db2.gz 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454.636 4.993 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(Br)cc3c2OCCO3)c1 ZINC001359817208 1064498982 /nfs/dbraw/zinc/49/89/82/1064498982.db2.gz SSHYXBOLGASBBL-UHFFFAOYSA-N 0 0 456.340 4.841 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001435076983 1064499831 /nfs/dbraw/zinc/49/98/31/1064499831.db2.gz XBKUAYNVUXHEHU-UHFFFAOYSA-N 0 0 450.174 4.937 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359817426 1064500122 /nfs/dbraw/zinc/50/01/22/1064500122.db2.gz CLPVERDFOGWEJW-VWNXMTODSA-N 0 0 497.684 4.919 20 0 JJADRN COCc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001435077608 1064500319 /nfs/dbraw/zinc/50/03/19/1064500319.db2.gz ZENUQZIREWBIDX-XMMPIXPASA-N 0 0 452.595 4.804 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cccn(CC(F)(F)F)c1=O ZINC001435079131 1064501462 /nfs/dbraw/zinc/50/14/62/1064501462.db2.gz NRSSIAKNENGANQ-UHFFFAOYSA-N 0 0 457.330 4.869 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001435080271 1064502590 /nfs/dbraw/zinc/50/25/90/1064502590.db2.gz FPZMZEAIDJPXIN-UHFFFAOYSA-N 0 0 455.530 4.566 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1)C1CC1 ZINC001435081763 1064503088 /nfs/dbraw/zinc/50/30/88/1064503088.db2.gz UCNJKVKMKXAESP-QFIPXVFZSA-N 0 0 457.368 4.840 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435081737 1064503176 /nfs/dbraw/zinc/50/31/76/1064503176.db2.gz SGVNQPUMLAAIPA-QHCPKHFHSA-N 0 0 458.530 4.794 20 0 JJADRN CCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435081690 1064503220 /nfs/dbraw/zinc/50/32/20/1064503220.db2.gz RGPBWSRILJZJFN-RUZDIDTESA-N 0 0 454.567 4.503 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(CC2)C(F)(F)C32CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359819884 1064503405 /nfs/dbraw/zinc/50/34/05/1064503405.db2.gz YSVHPJMCDXXQOJ-GOSISDBHSA-N 0 0 481.632 4.995 20 0 JJADRN 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ZINC001435082795 1064505128 /nfs/dbraw/zinc/50/51/28/1064505128.db2.gz GOACNWBYEYGYRD-UHFFFAOYSA-N 0 0 454.405 4.631 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2=O)cc1 ZINC001435084235 1064505617 /nfs/dbraw/zinc/50/56/17/1064505617.db2.gz RMNDBLPUOBWGIF-SIKLNZKXSA-N 0 0 454.542 4.718 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1CCCN(C)CC(F)(F)F ZINC001359823226 1064505568 /nfs/dbraw/zinc/50/55/68/1064505568.db2.gz ORKHMZVKKNAIHG-UHFFFAOYSA-N 0 0 488.396 4.686 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC001435085189 1064506068 /nfs/dbraw/zinc/50/60/68/1064506068.db2.gz GBARAWHMNBDJJM-LJQANCHMSA-N 0 0 457.359 4.571 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2=O)cc1 ZINC001435085485 1064506591 /nfs/dbraw/zinc/50/65/91/1064506591.db2.gz HFGLCSJWQYKZOK-SFHVURJKSA-N 0 0 452.555 4.602 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC001435086834 1064507088 /nfs/dbraw/zinc/50/70/88/1064507088.db2.gz OQGRJPTVZUUOIW-QGZVFWFLSA-N 0 0 459.787 4.885 20 0 JJADRN COC(=O)CCc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 ZINC001435087133 1064507230 /nfs/dbraw/zinc/50/72/30/1064507230.db2.gz GYIQJLCUTYYBIR-UHFFFAOYSA-N 0 0 454.573 4.837 20 0 JJADRN COCCN(CC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)C(=O)OC(C)(C)C ZINC001435087809 1064507260 /nfs/dbraw/zinc/50/72/60/1064507260.db2.gz LDJUTNOEPGTZMM-UHFFFAOYSA-N 0 0 458.521 4.860 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cc3ccccc3F)n2)c1C ZINC001359824663 1064507274 /nfs/dbraw/zinc/50/72/74/1064507274.db2.gz RURLZBDFWKUCOB-FQEVSTJZSA-N 0 0 455.580 4.644 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c(C)c1 ZINC001359824471 1064507334 /nfs/dbraw/zinc/50/73/34/1064507334.db2.gz NYAXHADYFIEVLH-CRAIPNDOSA-N 0 0 452.498 4.630 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC001359824599 1064507347 /nfs/dbraw/zinc/50/73/47/1064507347.db2.gz QHKHISKRSJEZSE-FQEVSTJZSA-N 0 0 452.967 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1C[C@H](C)SC ZINC001545888659 1064507532 /nfs/dbraw/zinc/50/75/32/1064507532.db2.gz SZYQCSQGHZNIGU-SFHVURJKSA-N 0 0 487.714 4.936 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)c1cnn(-c2cccc(Br)c2)c1)C(=O)OCC ZINC001435089380 1064507730 /nfs/dbraw/zinc/50/77/30/1064507730.db2.gz CAUWSAQQKMVUBP-OAQYLSRUSA-N 0 0 450.377 4.657 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)c(OC)c1 ZINC001435092115 1064509325 /nfs/dbraw/zinc/50/93/25/1064509325.db2.gz XBNNZHPVKKEIDO-MHECFPHRSA-N 0 0 456.970 4.758 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc2nsnc2c1 ZINC001359827018 1064509470 /nfs/dbraw/zinc/50/94/70/1064509470.db2.gz UAYLJKIATIGEGZ-IEBWSBKVSA-N 0 0 499.685 4.659 20 0 JJADRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC001359827882 1064510038 /nfs/dbraw/zinc/51/00/38/1064510038.db2.gz SYLIVQMDJIPVKK-HSZRJFAPSA-N 0 0 455.551 4.870 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001435094347 1064510080 /nfs/dbraw/zinc/51/00/80/1064510080.db2.gz WTHSCAAILWIOMV-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC001359828528 1064510674 /nfs/dbraw/zinc/51/06/74/1064510674.db2.gz FXRKCIAEVMCXJX-FQEVSTJZSA-N 0 0 455.580 4.804 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001359828491 1064510744 /nfs/dbraw/zinc/51/07/44/1064510744.db2.gz FHQAEUZALYHYFV-MRXNPFEDSA-N 0 0 459.782 4.874 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C)ccc2Br ZINC001359829013 1064510904 /nfs/dbraw/zinc/51/09/04/1064510904.db2.gz KXPNEWQOXUDMMD-SFHVURJKSA-N 0 0 459.365 4.966 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Sc2ccccc2)cc1 ZINC001435095635 1064511046 /nfs/dbraw/zinc/51/10/46/1064511046.db2.gz XOOBOABKNUDECI-UHFFFAOYSA-N 0 0 454.617 4.845 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435095188 1064511172 /nfs/dbraw/zinc/51/11/72/1064511172.db2.gz JFAROWNRMJTRSJ-BBIZSYTBSA-N 0 0 457.014 4.806 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359829939 1064511996 /nfs/dbraw/zinc/51/19/96/1064511996.db2.gz AHAZLMGZSLYLSP-ZWKOTPCHSA-N 0 0 451.537 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359829937 1064512111 /nfs/dbraw/zinc/51/21/11/1064512111.db2.gz AHAZLMGZSLYLSP-ROUUACIJSA-N 0 0 451.537 4.582 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC001435097463 1064512311 /nfs/dbraw/zinc/51/23/11/1064512311.db2.gz GHFHSNHZJXTUQT-LADGPHEKSA-N 0 0 457.014 4.988 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 ZINC001435098164 1064512655 /nfs/dbraw/zinc/51/26/55/1064512655.db2.gz FZBVCVUKXWQKLU-UHFFFAOYSA-N 0 0 454.548 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359830210 1064512669 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4.661 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359830961 1064514241 /nfs/dbraw/zinc/51/42/41/1064514241.db2.gz UJLGCLFYZUZRKX-ZLNRFVROSA-N 0 0 489.705 4.767 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(N(C)C)c1 ZINC001359831155 1064514275 /nfs/dbraw/zinc/51/42/75/1064514275.db2.gz XZYJGFDIOBPFMO-QFIPXVFZSA-N 0 0 484.689 4.674 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001359831244 1064514305 /nfs/dbraw/zinc/51/43/05/1064514305.db2.gz ZMEFSMPNPHCOGO-MQFAKOPTSA-N 0 0 455.672 4.889 20 0 JJADRN CS(=O)(=O)c1ccc(-c2csc(CC(=O)Nc3ccc(F)cc3C(F)(F)F)n2)cc1 ZINC001359831496 1064514696 /nfs/dbraw/zinc/51/46/96/1064514696.db2.gz JBDLASVVJGEDNX-UHFFFAOYSA-N 0 0 458.458 4.553 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC001359831313 1064514808 /nfs/dbraw/zinc/51/48/08/1064514808.db2.gz BQMSMAKHBYWQDE-GOSISDBHSA-N 0 0 456.436 4.928 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001435102219 1064514829 /nfs/dbraw/zinc/51/48/29/1064514829.db2.gz ZZHWBGFOJHYWLN-ZDUSSCGKSA-N 0 0 455.477 4.796 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@H](C)Cc1cccs1 ZINC001545888418 1064514845 /nfs/dbraw/zinc/51/48/45/1064514845.db2.gz LHNCSCHBYHPANK-MRXNPFEDSA-N 0 0 487.620 4.978 20 0 JJADRN Cc1c(NC(=O)c2ccc(F)c(I)c2)cccc1OCC(F)(F)F ZINC001359831444 1064514890 /nfs/dbraw/zinc/51/48/90/1064514890.db2.gz HGMGSVUZJOPZDC-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1cscc1C(F)(F)F ZINC001359831850 1064515343 /nfs/dbraw/zinc/51/53/43/1064515343.db2.gz BVIWQRAELDHFSR-INIZCTEOSA-N 0 0 485.620 4.984 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3cncn3)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359832208 1064515358 /nfs/dbraw/zinc/51/53/58/1064515358.db2.gz GYXXTMHHLVRNKN-AZUAARDMSA-N 0 0 465.499 4.531 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)NCC2CCC(c3ccccc3)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001435103964 1064515425 /nfs/dbraw/zinc/51/54/25/1064515425.db2.gz FMLKJUZOYDIXAM-VYEPWSALSA-N 0 0 450.579 4.503 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)c2)c1 ZINC001435104247 1064515589 /nfs/dbraw/zinc/51/55/89/1064515589.db2.gz YDCZVKXTOCCNHY-QFIPXVFZSA-N 0 0 459.615 4.703 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)c1 ZINC001435105793 1064516270 /nfs/dbraw/zinc/51/62/70/1064516270.db2.gz XQEAQPPFFZHGIT-QFIPXVFZSA-N 0 0 458.558 4.830 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001359832718 1064516726 /nfs/dbraw/zinc/51/67/26/1064516726.db2.gz AZEJDRODEXKYGU-AUUYWEPGSA-N 0 0 452.498 4.748 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ncccc1CSC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107544 1064517228 /nfs/dbraw/zinc/51/72/28/1064517228.db2.gz AKWVIWIJWDHGDP-CVDCTZTESA-N 0 0 453.652 4.570 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107615 1064517409 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NWDIPLUZDSGRSK-OAQYLSRUSA-N 0 0 454.983 4.511 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1noc2c1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110647 1064519768 /nfs/dbraw/zinc/51/97/68/1064519768.db2.gz PXGHKRMKIBWWMX-NTKDMRAZSA-N 0 0 451.611 4.569 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1noc2c1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110642 1064519880 /nfs/dbraw/zinc/51/98/80/1064519880.db2.gz PXGHKRMKIBWWMX-DVECYGJZSA-N 0 0 451.611 4.569 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1noc2c1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110634 1064519937 /nfs/dbraw/zinc/51/99/37/1064519937.db2.gz PXGHKRMKIBWWMX-CYFREDJKSA-N 0 0 451.611 4.569 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110848 1064520477 /nfs/dbraw/zinc/52/04/77/1064520477.db2.gz ZKBFWLUWGJCJPK-VCVMUTABSA-N 0 0 475.677 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@]1(C)OCCc2sccc21 ZINC001359834428 1064520630 /nfs/dbraw/zinc/52/06/30/1064520630.db2.gz CVNDONIOBPOURB-IERDGZPVSA-N 0 0 472.577 4.574 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359834436 1064520694 /nfs/dbraw/zinc/52/06/94/1064520694.db2.gz DEUVNLQWNDRWLW-GOSISDBHSA-N 0 0 451.656 4.564 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359834728 1064520930 /nfs/dbraw/zinc/52/09/30/1064520930.db2.gz KAKMCTRSDQGXME-NJDAHSKKSA-N 0 0 475.722 4.838 20 0 JJADRN COCCc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)cc2)cc1 ZINC001435111994 1064521088 /nfs/dbraw/zinc/52/10/88/1064521088.db2.gz KPLIBGIYKJPREC-UHFFFAOYSA-N 0 0 451.544 4.856 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001359834800 1064521314 /nfs/dbraw/zinc/52/13/14/1064521314.db2.gz LTCGCUOBVSOQEZ-KRWDZBQOSA-N 0 0 489.089 4.919 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359834914 1064521400 /nfs/dbraw/zinc/52/14/00/1064521400.db2.gz OCQCAEJQDWVHFF-ACRUOGEOSA-N 0 0 477.694 4.906 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H](C)CSC(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435113082 1064521294 /nfs/dbraw/zinc/52/12/94/1064521294.db2.gz YOMIOLTZOAXPPO-QKLQHJQFSA-N 0 0 458.590 4.888 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC001435112351 1064521383 /nfs/dbraw/zinc/52/13/83/1064521383.db2.gz NEGIJYHJLQNKGZ-UHFFFAOYSA-N 0 0 454.548 4.799 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001435113517 1064521882 /nfs/dbraw/zinc/52/18/82/1064521882.db2.gz FPLGSHCQFQIZOU-UHFFFAOYSA-N 0 0 459.536 4.612 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1cnc(Cl)c(Br)c1 ZINC001435113742 1064521974 /nfs/dbraw/zinc/52/19/74/1064521974.db2.gz JOZRWJGUSVZTEH-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC001435113820 1064522010 /nfs/dbraw/zinc/52/20/10/1064522010.db2.gz WNMBFYRPYPWXAK-HSZRJFAPSA-N 0 0 453.568 4.724 20 0 JJADRN 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ZINC001359836392 1064523619 /nfs/dbraw/zinc/52/36/19/1064523619.db2.gz JJJSEFIMOWKFCL-NRFANRHFSA-N 0 0 471.612 4.536 20 0 JJADRN COc1cccc(CNC(=O)CC(C)(C)NC(=O)OCc2ccccc2)c1OC1CCCC1 ZINC001435115869 1064523570 /nfs/dbraw/zinc/52/35/70/1064523570.db2.gz JRRNOZFHQQBDBN-UHFFFAOYSA-N 0 0 454.567 4.728 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cc1ccccc1OCc1ccncc1 ZINC001435116187 1064523718 /nfs/dbraw/zinc/52/37/18/1064523718.db2.gz LZDCFZRXXFWSJZ-UHFFFAOYSA-N 0 0 451.954 4.734 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@]3(CNC(=O)OC(C)(C)C)CCCC[C@@H]3C)c2)cc1 ZINC001359837336 1064523773 /nfs/dbraw/zinc/52/37/73/1064523773.db2.gz CPEXBUXDISITSN-QYBDOPJKSA-N 0 0 453.583 4.961 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001359837668 1064524070 /nfs/dbraw/zinc/52/40/70/1064524070.db2.gz KFTBYOUAQKTBMK-OYHNWAKOSA-N 0 0 453.421 4.827 20 0 JJADRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCc2cscn2)c1 ZINC001359837570 1064524111 /nfs/dbraw/zinc/52/41/11/1064524111.db2.gz IGYCTUJFSDMRQY-XDHUDOTRSA-N 0 0 459.612 4.926 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)c1 ZINC001359837553 1064524230 /nfs/dbraw/zinc/52/42/30/1064524230.db2.gz HZDKVYBMBSVLIQ-SPLOXXLWSA-N 0 0 455.393 4.661 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)co1 ZINC001435117455 1064524613 /nfs/dbraw/zinc/52/46/13/1064524613.db2.gz FMDXFTKJGCYLMR-GOSISDBHSA-N 0 0 456.322 4.843 20 0 JJADRN CCSc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC001435117724 1064524928 /nfs/dbraw/zinc/52/49/28/1064524928.db2.gz HIQTZGXECDMXFY-UHFFFAOYSA-N 0 0 457.573 4.852 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC001359838313 1064525225 /nfs/dbraw/zinc/52/52/25/1064525225.db2.gz YLIUHNAQZMINHZ-SPLOXXLWSA-N 0 0 457.040 4.600 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2csc([C@@H]3CCCO3)n2)cc1)c1ccc(Cl)cc1 ZINC001435118650 1064525409 /nfs/dbraw/zinc/52/54/09/1064525409.db2.gz KVGHWFPJEIILAB-FQEVSTJZSA-N 0 0 456.951 4.840 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC001359838185 1064525400 /nfs/dbraw/zinc/52/54/00/1064525400.db2.gz VQIKTZLRKSNOFF-SZNDQCEHSA-N 0 0 457.384 4.721 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OC ZINC001435118807 1064526003 /nfs/dbraw/zinc/52/60/03/1064526003.db2.gz BMCPGMITSDCWRD-LLVKDONJSA-N 0 0 451.907 4.516 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1OC ZINC001435120150 1064526489 /nfs/dbraw/zinc/52/64/89/1064526489.db2.gz LJBFAGHCLPTDIA-LLVKDONJSA-N 0 0 455.383 4.678 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1Cc1ccc(OC(C)C)cc1 ZINC001359840736 1064526970 /nfs/dbraw/zinc/52/69/70/1064526970.db2.gz PJYXTTFPJUZCNL-UHFFFAOYSA-N 0 0 481.666 4.726 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)c3c(F)cccc3I)s2)c1 ZINC001435121512 1064527460 /nfs/dbraw/zinc/52/74/60/1064527460.db2.gz ZYYQCMHVWYDZJD-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC001435121239 1064527597 /nfs/dbraw/zinc/52/75/97/1064527597.db2.gz RYLKPUAPTQUXNX-JOCHJYFZSA-N 0 0 453.558 4.837 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1OC ZINC001435121711 1064527972 /nfs/dbraw/zinc/52/79/72/1064527972.db2.gz WJVWKWFLKGBGTF-IJHUGTEESA-N 0 0 450.551 4.590 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c(OC(F)F)c1 ZINC001359842148 1064528880 /nfs/dbraw/zinc/52/88/80/1064528880.db2.gz POYLWFMMAMBZSY-UHFFFAOYSA-N 0 0 455.339 4.531 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(F)c(F)c(F)c1F ZINC001435123234 1064529045 /nfs/dbraw/zinc/52/90/45/1064529045.db2.gz PICKYASFQHRWSP-UHFFFAOYSA-N 0 0 459.367 4.747 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC001435123798 1064529820 /nfs/dbraw/zinc/52/98/20/1064529820.db2.gz NHOKIORIPMYCPV-VQTJNVASSA-N 0 0 452.473 4.932 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1Cc1cccc(O)c1 ZINC001545888791 1064530070 /nfs/dbraw/zinc/53/00/70/1064530070.db2.gz XVVSHIMIJWIZRS-FQEVSTJZSA-N 0 0 453.612 4.526 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1)C(C)C ZINC001435124133 1064530277 /nfs/dbraw/zinc/53/02/77/1064530277.db2.gz BYBHDXLOXFRKSV-UHFFFAOYSA-N 0 0 451.567 4.993 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1ccccc1F ZINC001359843593 1064530111 /nfs/dbraw/zinc/53/01/11/1064530111.db2.gz SJNRWHCSARENMB-HXUWFJFHSA-N 0 0 459.610 4.742 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(F)c(F)c1F ZINC001359843596 1064530187 /nfs/dbraw/zinc/53/01/87/1064530187.db2.gz SKTFGWLDNVKPCQ-QGZVFWFLSA-N 0 0 481.563 4.630 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCOc1ccc(F)cc1 ZINC001359843807 1064530288 /nfs/dbraw/zinc/53/02/88/1064530288.db2.gz ZKEGWPJIVNPOAG-OAQYLSRUSA-N 0 0 489.636 4.968 20 0 JJADRN Cc1csc(C2(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)CCCC2)n1 ZINC001435124691 1064530602 /nfs/dbraw/zinc/53/06/02/1064530602.db2.gz UAPFPDAIYSGANU-UHFFFAOYSA-N 0 0 451.415 4.720 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359844253 1064530662 /nfs/dbraw/zinc/53/06/62/1064530662.db2.gz OYMVZIFCEKVBLX-URXFXBBRSA-N 0 0 488.076 4.544 20 0 JJADRN COc1cccc2cc(C(=O)Nc3cccc(CS(=O)(=O)c4ccc(F)cc4F)c3)oc21 ZINC001435125426 1064531134 /nfs/dbraw/zinc/53/11/34/1064531134.db2.gz HRVBACHKZGSRNA-UHFFFAOYSA-N 0 0 457.454 4.946 20 0 JJADRN O=C(Oc1ccccc1C(=O)OCc1ccc(Br)cc1)c1cnc2n1CCCC2 ZINC001359845238 1064531368 /nfs/dbraw/zinc/53/13/68/1064531368.db2.gz LRDIOZDQCHAITB-UHFFFAOYSA-N 0 0 455.308 4.558 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1Cc1ccsc1Br ZINC001359846169 1064531869 /nfs/dbraw/zinc/53/18/69/1064531869.db2.gz OGYZTECLHMVZJZ-UHFFFAOYSA-N 0 0 494.503 4.578 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1sccc1Br ZINC001359846713 1064532400 /nfs/dbraw/zinc/53/24/00/1064532400.db2.gz HOVWCHRQXKTMAO-OAHLLOKOSA-N 0 0 498.491 4.795 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001359846639 1064532419 /nfs/dbraw/zinc/53/24/19/1064532419.db2.gz FPBBLNIWPAGUKN-AABGKKOBSA-N 0 0 483.657 4.855 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359846603 1064532499 /nfs/dbraw/zinc/53/24/99/1064532499.db2.gz DKYOSFHGQJETJT-HXUWFJFHSA-N 0 0 498.569 4.728 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1sccc1Br ZINC001359846712 1064532578 /nfs/dbraw/zinc/53/25/78/1064532578.db2.gz HOVWCHRQXKTMAO-HNNXBMFYSA-N 0 0 498.491 4.795 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)cc1)C(C)C ZINC001435126630 1064532482 /nfs/dbraw/zinc/53/24/82/1064532482.db2.gz SMTMGJWSQDCHDA-UHFFFAOYSA-N 0 0 452.505 4.648 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)sc21 ZINC001435127748 1064533379 /nfs/dbraw/zinc/53/33/79/1064533379.db2.gz JQFKYYXRJANXBF-CQSZACIVSA-N 0 0 456.559 4.776 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)sc21 ZINC001435127668 1064533579 /nfs/dbraw/zinc/53/35/79/1064533579.db2.gz JQFKYYXRJANXBF-AWEZNQCLSA-N 0 0 456.559 4.776 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCc1cccs1 ZINC001359848662 1064534284 /nfs/dbraw/zinc/53/42/84/1064534284.db2.gz AQBIIOLDQUHQJK-SFHVURJKSA-N 0 0 459.610 4.942 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001435129285 1064534915 /nfs/dbraw/zinc/53/49/15/1064534915.db2.gz JRFDFHYZVQAVMG-AWEZNQCLSA-N 0 0 457.340 4.538 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC001435131333 1064536063 /nfs/dbraw/zinc/53/60/63/1064536063.db2.gz CAGMZYSYMUQNET-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 ZINC001435131276 1064536131 /nfs/dbraw/zinc/53/61/31/1064536131.db2.gz BRUKGBVPGXSFMV-UHFFFAOYSA-N 0 0 456.365 4.884 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359850442 1064536519 /nfs/dbraw/zinc/53/65/19/1064536519.db2.gz SXHOAVBGTOYHHV-ZCYQVOJMSA-N 0 0 497.684 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359850257 1064536676 /nfs/dbraw/zinc/53/66/76/1064536676.db2.gz RDFLEZRJCXVSGU-CYFREDJKSA-N 0 0 461.601 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001359850629 1064536978 /nfs/dbraw/zinc/53/69/78/1064536978.db2.gz VDZUNLZDIVZJLL-KRWDZBQOSA-N 0 0 489.487 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359850782 1064537015 /nfs/dbraw/zinc/53/70/15/1064537015.db2.gz WQJKHSPEBFJUIV-OALUTQOASA-N 0 0 479.620 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1cc(C2CC2)ccc1F ZINC001359850753 1064537070 /nfs/dbraw/zinc/53/70/70/1064537070.db2.gz VVMJYXGVYQPPPR-MRXNPFEDSA-N 0 0 453.528 4.614 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001359851474 1064538425 /nfs/dbraw/zinc/53/84/25/1064538425.db2.gz KFNBLPQORDMAGN-GOSISDBHSA-N 0 0 451.748 4.517 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1 ZINC001435134125 1064538510 /nfs/dbraw/zinc/53/85/10/1064538510.db2.gz MBHWBLYYSCDDIC-UHFFFAOYSA-N 0 0 458.605 4.632 20 0 JJADRN O=C(Cc1ccc(OC(F)F)cc1)N1c2ccccc2CC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC001359851771 1064538794 /nfs/dbraw/zinc/53/87/94/1064538794.db2.gz NESZNWGWMUOJMJ-QFIPXVFZSA-N 0 0 454.448 4.956 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC001435136439 1064539201 /nfs/dbraw/zinc/53/92/01/1064539201.db2.gz VYRMEAUQGGZOBA-HXUWFJFHSA-N 0 0 450.466 4.506 20 0 JJADRN COc1ccc(N(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C(C)C)cc1F ZINC001359852348 1064539499 /nfs/dbraw/zinc/53/94/99/1064539499.db2.gz UKQGFKNYMISGAW-UHFFFAOYSA-N 0 0 452.349 4.958 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)CCOc1ccc(F)c(Cl)c1 ZINC001435138065 1064539782 /nfs/dbraw/zinc/53/97/82/1064539782.db2.gz FGSMZDZEHFEVGS-UHFFFAOYSA-N 0 0 459.905 4.804 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)Cc1cccc(Br)c1 ZINC001435139063 1064540874 /nfs/dbraw/zinc/54/08/74/1064540874.db2.gz NCEKEZSCEZNYCU-UHFFFAOYSA-N 0 0 456.340 4.548 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)CCCc2ccccc2)c1 ZINC001435139092 1064540975 /nfs/dbraw/zinc/54/09/75/1064540975.db2.gz SNRDLPZPPYWECS-QHCPKHFHSA-N 0 0 450.579 4.842 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(C)(C)CCCc3ccccc3)CC2)cc1 ZINC001435140812 1064541351 /nfs/dbraw/zinc/54/13/51/1064541351.db2.gz ASBRSROKGSAIFB-QFIPXVFZSA-N 0 0 450.623 4.736 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2Br)c1cnnn1-c1c(Cl)cccc1Cl ZINC001359854654 1064541781 /nfs/dbraw/zinc/54/17/81/1064541781.db2.gz PPVLVNOVLCSMSZ-HNNXBMFYSA-N 0 0 452.139 4.754 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H]3CCc4c3cccc4Br)no2)c1 ZINC001359854695 1064541848 /nfs/dbraw/zinc/54/18/48/1064541848.db2.gz QLNXQYNZVDVBJN-FQEVSTJZSA-N 0 0 455.308 4.636 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CCNC(=O)C1CCCCC1 ZINC001435141154 1064541879 /nfs/dbraw/zinc/54/18/79/1064541879.db2.gz HAVQXUAOGXDFDI-UHFFFAOYSA-N 0 0 458.942 4.944 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c1 ZINC001435141713 1064541925 /nfs/dbraw/zinc/54/19/25/1064541925.db2.gz HYRIMFLLDXCTLW-UHFFFAOYSA-N 0 0 457.324 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C(C)(C)C1 ZINC001435141641 1064542059 /nfs/dbraw/zinc/54/20/59/1064542059.db2.gz ALKOWMQVYDPOCI-UHFFFAOYSA-N 0 0 453.370 4.651 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC001435142522 1064542561 /nfs/dbraw/zinc/54/25/61/1064542561.db2.gz RQJIEHZMSMPKQN-IBGZPJMESA-N 0 0 457.014 4.609 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC001435142277 1064542583 /nfs/dbraw/zinc/54/25/83/1064542583.db2.gz HDCXMLWZJKUFKT-IFXJQAMLSA-N 0 0 451.455 4.746 20 0 JJADRN C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)c1cn(C)c2ccccc12 ZINC001435142798 1064542944 /nfs/dbraw/zinc/54/29/44/1064542944.db2.gz JJLGIWOLQCADDX-ROUUACIJSA-N 0 0 454.412 4.950 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001435142587 1064543083 /nfs/dbraw/zinc/54/30/83/1064543083.db2.gz KANXWXPNODZEHN-NVXDSCFRSA-N 0 0 452.595 4.890 20 0 JJADRN C[C@@H](C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)c1cn(C)c2ccccc12 ZINC001435142797 1064543101 /nfs/dbraw/zinc/54/31/01/1064543101.db2.gz JJLGIWOLQCADDX-QZTJIDSGSA-N 0 0 454.412 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(C)(C)C1 ZINC001435142791 1064543225 /nfs/dbraw/zinc/54/32/25/1064543225.db2.gz LYCRXFHVPONQCP-UHFFFAOYSA-N 0 0 452.555 4.802 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)cc1 ZINC001435143299 1064543574 /nfs/dbraw/zinc/54/35/74/1064543574.db2.gz MHYVCBLGRSHTQK-UHFFFAOYSA-N 0 0 452.436 4.892 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCO[C@H](C)c1ccccc1 ZINC001359856179 1064544260 /nfs/dbraw/zinc/54/42/60/1064544260.db2.gz WTAJPJUPGCDZEB-OAQYLSRUSA-N 0 0 484.714 4.648 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)nn1-c1ccccc1Br ZINC001435144173 1064544833 /nfs/dbraw/zinc/54/48/33/1064544833.db2.gz YIDVFMXSAHGUPH-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(-c4nccc(C)n4)cc3)cc2)cc1 ZINC001435144257 1064544899 /nfs/dbraw/zinc/54/48/99/1064544899.db2.gz HGFYYLNUGVDOSH-UHFFFAOYSA-N 0 0 457.555 4.987 20 0 JJADRN CCc1c(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)nnn1Cc1ccccc1 ZINC001359857869 1064544680 /nfs/dbraw/zinc/54/46/80/1064544680.db2.gz FYMLCCLYRYUDHC-AREMUKBSSA-N 0 0 457.553 4.983 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435145010 1064545136 /nfs/dbraw/zinc/54/51/36/1064545136.db2.gz ZGRTXQFFZMUSDV-UWJYYQICSA-N 0 0 455.396 4.706 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@H](C)CCC4CCCCC4)cnc32)c(OC)c1 ZINC001435145851 1064546308 /nfs/dbraw/zinc/54/63/08/1064546308.db2.gz NDIAJNPOQFCJQN-GOSISDBHSA-N 0 0 450.583 4.976 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)C3CCN(C(=O)N(C)C)CC3)cc2C)cc1 ZINC001435145992 1064546424 /nfs/dbraw/zinc/54/64/24/1064546424.db2.gz WCRNXYUSQOGHNY-UHFFFAOYSA-N 0 0 451.611 4.543 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2)c1 ZINC001435146774 1064546886 /nfs/dbraw/zinc/54/68/86/1064546886.db2.gz CQJQZRWMMGFGCU-UHFFFAOYSA-N 0 0 454.530 4.518 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)C3(c4ccc(I)cc4)CC3)cc2)n1 ZINC001435146088 1064547189 /nfs/dbraw/zinc/54/71/89/1064547189.db2.gz YXXHXZTVYITQIC-UHFFFAOYSA-N 0 0 455.299 4.727 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CC1 ZINC001435147382 1064547427 /nfs/dbraw/zinc/54/74/27/1064547427.db2.gz GAWZNPPTMDTLMK-SFHVURJKSA-N 0 0 455.471 4.952 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001435147924 1064548086 /nfs/dbraw/zinc/54/80/86/1064548086.db2.gz IBQPCJNFGQRYKD-JOCHJYFZSA-N 0 0 452.551 4.578 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001435148094 1064548248 /nfs/dbraw/zinc/54/82/48/1064548248.db2.gz KEHDAKZAUNWFNI-DYESRHJHSA-N 0 0 455.345 4.917 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001359860170 1064548541 /nfs/dbraw/zinc/54/85/41/1064548541.db2.gz FXHLFPAMYPWDRD-UHFFFAOYSA-N 0 0 493.599 4.850 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCCC1CCOCC1 ZINC001359860629 1064549641 /nfs/dbraw/zinc/54/96/41/1064549641.db2.gz JZJSVJBUDASLSI-UHFFFAOYSA-N 0 0 488.746 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)[C@H]2Cc3cc(F)ccc3O2)c2ccccc2F)CC1 ZINC001435150056 1064549776 /nfs/dbraw/zinc/54/97/76/1064549776.db2.gz WWISFARLNVAWFA-JOCHJYFZSA-N 0 0 458.505 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)[C@@H]2Cc3cc(F)ccc3O2)c2ccccc2F)CC1 ZINC001435150057 1064549866 /nfs/dbraw/zinc/54/98/66/1064549866.db2.gz WWISFARLNVAWFA-QFIPXVFZSA-N 0 0 458.505 4.701 20 0 JJADRN CC1(C)CC[C@H](CC(=O)Nc2cc(I)ccc2Br)OC1 ZINC001359860733 1064550072 /nfs/dbraw/zinc/55/00/72/1064550072.db2.gz RKUFCNXVUSLESY-LLVKDONJSA-N 0 0 452.130 4.588 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC001435150287 1064550355 /nfs/dbraw/zinc/55/03/55/1064550355.db2.gz XHHLAWBXXIBIRY-VWLOTQADSA-N 0 0 458.558 4.682 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)c2)n1 ZINC001435150636 1064551106 /nfs/dbraw/zinc/55/11/06/1064551106.db2.gz YQZJPXOFZDZXET-OAQYLSRUSA-N 0 0 450.514 4.838 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cccc(C(=O)N2CCCC2)n1 ZINC001435152438 1064551493 /nfs/dbraw/zinc/55/14/93/1064551493.db2.gz DHJZEXNUKDYLQN-QFIPXVFZSA-N 0 0 455.892 4.769 20 0 JJADRN COc1ccc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(OC(F)F)c1 ZINC001435152339 1064551562 /nfs/dbraw/zinc/55/15/62/1064551562.db2.gz JIMZUHFCCILJJC-UHFFFAOYSA-N 0 0 459.783 4.825 20 0 JJADRN COc1ccc(COC(=O)c2cc3ccc(Br)cc3c(=O)o2)c(OC(F)F)c1 ZINC001435153134 1064552249 /nfs/dbraw/zinc/55/22/49/1064552249.db2.gz PVNQAPFNVSKUDU-UHFFFAOYSA-N 0 0 455.207 4.523 20 0 JJADRN COc1cc(C(=O)Nc2cccc3nccn32)ccc1OCc1ccc(Br)s1 ZINC001435154626 1064552605 /nfs/dbraw/zinc/55/26/05/1064552605.db2.gz JDWLLULENQKFBG-UHFFFAOYSA-N 0 0 458.337 4.998 20 0 JJADRN CCN(C(=O)Cn1cnc(-c2ccccc2)cc1=O)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001359862510 1064552727 /nfs/dbraw/zinc/55/27/27/1064552727.db2.gz VNKWQOZMHHBOBF-AREMUKBSSA-N 0 0 458.949 4.597 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001435154461 1064552795 /nfs/dbraw/zinc/55/27/95/1064552795.db2.gz DHRNWOXIGIELLH-HXUWFJFHSA-N 0 0 457.502 4.645 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cccc(CSC)c1)C2 ZINC001359861826 1064552919 /nfs/dbraw/zinc/55/29/19/1064552919.db2.gz JKENKADKCKSWPK-IBGZPJMESA-N 0 0 458.580 4.872 20 0 JJADRN C[C@H](C(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc(Br)s1 ZINC001359861959 1064553027 /nfs/dbraw/zinc/55/30/27/1064553027.db2.gz MNWOMAOMUOXYTG-ZDUSSCGKSA-N 0 0 450.427 4.568 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC001435155398 1064553184 /nfs/dbraw/zinc/55/31/84/1064553184.db2.gz NWHFXACACMQSBA-IBZMOEQTSA-N 0 0 452.979 4.635 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001435155399 1064553329 /nfs/dbraw/zinc/55/33/29/1064553329.db2.gz WYTPBWVKMOREAU-RAKYAITLSA-N 0 0 452.595 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CC(C)(C)c1ccccc1F ZINC001359863292 1064553459 /nfs/dbraw/zinc/55/34/59/1064553459.db2.gz VGDNPDNVBHWKTG-UHFFFAOYSA-N 0 0 464.511 4.829 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001435156288 1064553681 /nfs/dbraw/zinc/55/36/81/1064553681.db2.gz DKGHRHBCJQVWLN-FQEVSTJZSA-N 0 0 450.645 4.548 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(SC(F)(F)F)nc1)c1ccccc1 ZINC001435156877 1064554026 /nfs/dbraw/zinc/55/40/26/1064554026.db2.gz HTRKSSXYIMIJGB-IBGZPJMESA-N 0 0 459.493 4.698 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001359865003 1064554745 /nfs/dbraw/zinc/55/47/45/1064554745.db2.gz UXJJKPXMTWYKFB-HHHXNRCGSA-N 0 0 468.690 4.942 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC001435159350 1064555294 /nfs/dbraw/zinc/55/52/94/1064555294.db2.gz XTRCDNIUVGORDQ-PMERELPUSA-N 0 0 455.601 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCOC(F)(F)F ZINC001359865168 1064555410 /nfs/dbraw/zinc/55/54/10/1064555410.db2.gz COVCXAYMYSEASE-KRWDZBQOSA-N 0 0 480.453 5.000 20 0 JJADRN O=C(CCc1ccccc1Br)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001435159027 1064555364 /nfs/dbraw/zinc/55/53/64/1064555364.db2.gz KXFCICFJTXZUKU-UHFFFAOYSA-N 0 0 458.377 4.994 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359865793 1064555734 /nfs/dbraw/zinc/55/57/34/1064555734.db2.gz JCAAWMFOIWLFMV-XMTFNYHQSA-N 0 0 453.052 4.973 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001359865930 1064556547 /nfs/dbraw/zinc/55/65/47/1064556547.db2.gz KVGNFRUOWWGXEU-RDPSFJRHSA-N 0 0 491.474 4.758 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435161852 1064557472 /nfs/dbraw/zinc/55/74/72/1064557472.db2.gz GYOHSAQPCHIDEQ-ACJLOTCBSA-N 0 0 451.354 4.960 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2CCCC[C@H]2C)c1 ZINC001435161967 1064557938 /nfs/dbraw/zinc/55/79/38/1064557938.db2.gz PTJQXSGYUXPRHR-QRVBRYPASA-N 0 0 458.599 4.912 20 0 JJADRN CC[C@@H](NC(=O)CCc1cnn(C)c1)c1ccccc1OCc1ccccc1Br ZINC001435162208 1064557954 /nfs/dbraw/zinc/55/79/54/1064557954.db2.gz FCKPHGHFNWRTHV-OAQYLSRUSA-N 0 0 456.384 4.962 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@@H]1CSCCS1 ZINC001359866589 1064558249 /nfs/dbraw/zinc/55/82/49/1064558249.db2.gz VESKNSGSBRISMK-MOPGFXCFSA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001359866512 1064558260 /nfs/dbraw/zinc/55/82/60/1064558260.db2.gz SUJOYXXJKOMGBE-NWSQWKLXSA-N 0 0 491.474 4.878 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)/C=C/c2ccc(I)o2)c1 ZINC001435162256 1064558453 /nfs/dbraw/zinc/55/84/53/1064558453.db2.gz QPUWRCZQUTUSLL-DRBUTMMVSA-N 0 0 457.333 4.583 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)/C=C\c2ccc(I)o2)c1 ZINC001435162260 1064558533 /nfs/dbraw/zinc/55/85/33/1064558533.db2.gz QPUWRCZQUTUSLL-SINIUOCSSA-N 0 0 457.333 4.583 20 0 JJADRN O=C(CCc1ccc2c(c1)CCO2)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435162731 1064558772 /nfs/dbraw/zinc/55/87/72/1064558772.db2.gz PIBKOPMJYIHIFM-UHFFFAOYSA-N 0 0 457.317 4.542 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c2ccccn2)cc1 ZINC001435163315 1064559585 /nfs/dbraw/zinc/55/95/85/1064559585.db2.gz XHONGZHNADIFFY-NRFANRHFSA-N 0 0 451.452 4.703 20 0 JJADRN COc1ccc(NC(=O)c2cnn3c2nc(C)cc3C(F)F)cc1NC(=O)C1CCCCC1 ZINC001435163599 1064559631 /nfs/dbraw/zinc/55/96/31/1064559631.db2.gz YDFFBUBWYLAZIT-UHFFFAOYSA-N 0 0 457.481 4.755 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nccs3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359867558 1064559790 /nfs/dbraw/zinc/55/97/90/1064559790.db2.gz CHUFYHITAINENI-GOSISDBHSA-N 0 0 481.544 4.652 20 0 JJADRN C[C@@H]1CCCC[C@H]1CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001435163901 1064560079 /nfs/dbraw/zinc/56/00/79/1064560079.db2.gz ZZJXNKQBBIOMPQ-OLZOCXBDSA-N 0 0 459.310 4.995 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1nccc(C(F)F)n1 ZINC001359868705 1064560790 /nfs/dbraw/zinc/56/07/90/1064560790.db2.gz MZJZCFGCWILXSG-MRXNPFEDSA-N 0 0 491.612 4.584 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435165032 1064561192 /nfs/dbraw/zinc/56/11/92/1064561192.db2.gz VHXRXSKFGUVDBN-IYBDPMFKSA-N 0 0 453.421 4.874 20 0 JJADRN C[C@@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435165053 1064561208 /nfs/dbraw/zinc/56/12/08/1064561208.db2.gz VRDOYTRDZJFTNV-IYBDPMFKSA-N 0 0 456.505 4.764 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435165031 1064561221 /nfs/dbraw/zinc/56/12/21/1064561221.db2.gz VHXRXSKFGUVDBN-HZPDHXFCSA-N 0 0 453.421 4.874 20 0 JJADRN CCOCc1nc(C)c(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)s1 ZINC001435165653 1064561508 /nfs/dbraw/zinc/56/15/08/1064561508.db2.gz OBFQXWRWHPADJA-JOCHJYFZSA-N 0 0 456.564 4.533 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CCOCC1 ZINC001435166124 1064561622 /nfs/dbraw/zinc/56/16/22/1064561622.db2.gz SZRBAUAQTPIMLT-UHFFFAOYSA-N 0 0 452.429 4.581 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C=C/c2cnc3ccccc3n2)c2ccc(OC)cc2OC)cc1 ZINC001435166185 1064562199 /nfs/dbraw/zinc/56/21/99/1064562199.db2.gz ULCSPJPCRYKZNS-UDKPXMKSSA-N 0 0 455.514 4.575 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001359869514 1064562168 /nfs/dbraw/zinc/56/21/68/1064562168.db2.gz ZVGXKUQABUELCZ-OAQYLSRUSA-N 0 0 493.599 4.638 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1CCCSC1 ZINC001359869362 1064562274 /nfs/dbraw/zinc/56/22/74/1064562274.db2.gz WPCAMUWNDWCMFH-YLJYHZDGSA-N 0 0 466.598 4.799 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(CCCCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359869742 1064562399 /nfs/dbraw/zinc/56/23/99/1064562399.db2.gz FOWYHYNQOJMISV-UHFFFAOYSA-N 0 0 481.563 4.595 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001359871343 1064562780 /nfs/dbraw/zinc/56/27/80/1064562780.db2.gz WZGSYQOBKIDQBZ-DEOSSOPVSA-N 0 0 461.050 4.967 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359871450 1064563414 /nfs/dbraw/zinc/56/34/14/1064563414.db2.gz UQZBLLMIIOZTSJ-WSFQBVJLSA-N 0 0 455.549 4.725 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cn2)c1C ZINC001435167890 1064563701 /nfs/dbraw/zinc/56/37/01/1064563701.db2.gz ISPUZNANNILUNK-UHFFFAOYSA-N 0 0 459.955 4.647 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168188 1064564022 /nfs/dbraw/zinc/56/40/22/1064564022.db2.gz ATIIPLOONKOVCZ-MRXNPFEDSA-N 0 0 457.290 4.675 20 0 JJADRN CCc1ccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C(=O)OC)c1 ZINC001435168768 1064564077 /nfs/dbraw/zinc/56/40/77/1064564077.db2.gz CXZNAJKFZSILFA-ZDUSSCGKSA-N 0 0 459.593 4.623 20 0 JJADRN COC[C@]1(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435168698 1064564244 /nfs/dbraw/zinc/56/42/44/1064564244.db2.gz LPMPCOOZJAARHG-VWLOTQADSA-N 0 0 455.555 4.703 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n(-c2nc(C)cc(C)n2)n1 ZINC001359873612 1064564266 /nfs/dbraw/zinc/56/42/66/1064564266.db2.gz XYLKNXWHTPAFQQ-OAHLLOKOSA-N 0 0 452.971 4.908 20 0 JJADRN CC(C)Cc1nnc(N2CCSC3(CCCCC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001359873504 1064564334 /nfs/dbraw/zinc/56/43/34/1064564334.db2.gz MOCVLOXCSYKSPG-WJOKGBTCSA-N 0 0 460.713 4.660 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)n1 ZINC001435169071 1064564788 /nfs/dbraw/zinc/56/47/88/1064564788.db2.gz GOJXUNKTMCKECZ-UHFFFAOYSA-N 0 0 457.577 4.843 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)Sc1ccccc1 ZINC001359874182 1064564846 /nfs/dbraw/zinc/56/48/46/1064564846.db2.gz XGDGUJBMQNISJC-RBUKOAKNSA-N 0 0 459.660 4.761 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001359875182 1064565255 /nfs/dbraw/zinc/56/52/55/1064565255.db2.gz FDLAMTCQSXKYQG-JBACZVJFSA-N 0 0 457.594 4.838 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)Cc4cccc(C(F)F)c4)cc32)c1 ZINC001359875336 1064565424 /nfs/dbraw/zinc/56/54/24/1064565424.db2.gz NHADZALDJWBVFR-UHFFFAOYSA-N 0 0 450.485 4.946 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 ZINC001359875261 1064565440 /nfs/dbraw/zinc/56/54/40/1064565440.db2.gz MPZFPSBQHKHAOF-AREMUKBSSA-N 0 0 458.558 4.932 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1 ZINC001359876161 1064566662 /nfs/dbraw/zinc/56/66/62/1064566662.db2.gz SYXODYCTNQUANQ-FGZHOGPDSA-N 0 0 453.631 4.655 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn(CC3CCC3)c2)n1Cc1ccc(I)cc1 ZINC001359877003 1064567110 /nfs/dbraw/zinc/56/71/10/1064567110.db2.gz KXCYQEAUOMVWHX-UHFFFAOYSA-N 0 0 490.393 4.870 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001435173335 1064567322 /nfs/dbraw/zinc/56/73/22/1064567322.db2.gz RURUVPGFLUNWQH-ZOYWYXQUSA-N 0 0 452.620 4.743 20 0 JJADRN Cc1sc2ncn(CCC(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)c(=O)c2c1C ZINC001435173692 1064567911 /nfs/dbraw/zinc/56/79/11/1064567911.db2.gz ASYBELAESWPNRI-UHFFFAOYSA-N 0 0 453.564 4.589 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1Cc1ccc(Cl)s1 ZINC001359877527 1064567751 /nfs/dbraw/zinc/56/77/51/1064567751.db2.gz TUXKYQFDFMWHAP-IYBDPMFKSA-N 0 0 466.051 4.543 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2)C1 ZINC001359877361 1064567837 /nfs/dbraw/zinc/56/78/37/1064567837.db2.gz AXOVWUXPGUTUOR-ICSRJNTNSA-N 0 0 462.685 4.507 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435173966 1064568175 /nfs/dbraw/zinc/56/81/75/1064568175.db2.gz VHSWNXFNCYOCRE-YTTGMZPUSA-N 0 0 452.620 4.759 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001435174764 1064568233 /nfs/dbraw/zinc/56/82/33/1064568233.db2.gz YJBHJFZJBIPCHX-PMACEKPBSA-N 0 0 459.489 4.961 20 0 JJADRN COC(=O)[C@H](NC(=O)CCCSc1ccc(Br)cc1)c1cc(F)ccc1F ZINC001359878113 1064568853 /nfs/dbraw/zinc/56/88/53/1064568853.db2.gz NTAOYKGIWYILLS-GOSISDBHSA-N 0 0 458.324 4.630 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2=O)c1 ZINC001435175844 1064569029 /nfs/dbraw/zinc/56/90/29/1064569029.db2.gz YDKVULQIXIXFAQ-GOSISDBHSA-N 0 0 452.576 4.886 20 0 JJADRN CCCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001359878096 1064569082 /nfs/dbraw/zinc/56/90/82/1064569082.db2.gz NMJDKDGCIGIJLS-UHFFFAOYSA-N 0 0 452.624 4.915 20 0 JJADRN Cc1ccc(C(=O)NCCNC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC001435177138 1064570000 /nfs/dbraw/zinc/57/00/00/1064570000.db2.gz VIMMDGQSKPVJKR-HAVVHWLPSA-N 0 0 450.485 4.683 20 0 JJADRN Cc1ccc(C(=O)NCCNC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC001435177139 1064570080 /nfs/dbraw/zinc/57/00/80/1064570080.db2.gz VIMMDGQSKPVJKR-QJOMJCCJSA-N 0 0 450.485 4.683 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C ZINC001435177159 1064570154 /nfs/dbraw/zinc/57/01/54/1064570154.db2.gz VXKVKKGZCAWADR-UHFFFAOYSA-N 0 0 456.542 4.689 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cccc(OCc4ccc(C)cc4)c3)CC2=O)cc1 ZINC001435177585 1064570500 /nfs/dbraw/zinc/57/05/00/1064570500.db2.gz FTAQLGKUZMVCGJ-NRFANRHFSA-N 0 0 457.530 4.524 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001359878828 1064570649 /nfs/dbraw/zinc/57/06/49/1064570649.db2.gz WXLZADVJIJAARQ-UHFFFAOYSA-N 0 0 452.967 4.547 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)C1 ZINC001359879093 1064570782 /nfs/dbraw/zinc/57/07/82/1064570782.db2.gz PGLSJUQTVXMECI-QZTJIDSGSA-N 0 0 460.985 4.980 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC(C)C)C1 ZINC001359879319 1064571667 /nfs/dbraw/zinc/57/16/67/1064571667.db2.gz SZXKMVGZILBDAU-QGZVFWFLSA-N 0 0 452.441 4.734 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC001435179599 1064571736 /nfs/dbraw/zinc/57/17/36/1064571736.db2.gz BBBKMYIRQVUBSH-LJQANCHMSA-N 0 0 454.571 4.825 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001435180266 1064572009 /nfs/dbraw/zinc/57/20/09/1064572009.db2.gz RGVUHZXXLPXRRV-UHFFFAOYSA-N 0 0 459.271 4.682 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc(C(F)(F)F)c1 ZINC001435180224 1064572117 /nfs/dbraw/zinc/57/21/17/1064572117.db2.gz QTMRYOLFUOQBNS-UHFFFAOYSA-N 0 0 457.408 4.749 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359879387 1064572401 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RYAYXEAHHJBCDG-QFIPXVFZSA-N 0 0 452.551 4.813 20 0 JJADRN C[C@H](NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185812 1064575140 /nfs/dbraw/zinc/57/51/40/1064575140.db2.gz SPNSKFLEPGTAAW-NYHFZMIOSA-N 0 0 454.933 4.607 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CC1 ZINC001359881889 1064576066 /nfs/dbraw/zinc/57/60/66/1064576066.db2.gz ZGWVQDTZNDXRSH-JOCHJYFZSA-N 0 0 450.510 4.579 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001359882216 1064576076 /nfs/dbraw/zinc/57/60/76/1064576076.db2.gz ZMRKYOHTFDQAFI-IBGZPJMESA-N 0 0 459.038 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435186769 1064576106 /nfs/dbraw/zinc/57/61/06/1064576106.db2.gz ZPOONKWMCLCBAY-IBGZPJMESA-N 0 0 459.587 4.564 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)C1 ZINC001359883020 1064577136 /nfs/dbraw/zinc/57/71/36/1064577136.db2.gz FSMJYGKRFWENLU-OALUTQOASA-N 0 0 485.620 4.547 20 0 JJADRN CC(C)(C)Oc1ccccc1NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001435188350 1064577110 /nfs/dbraw/zinc/57/71/10/1064577110.db2.gz GZAMHWTWUIUNTR-UHFFFAOYSA-N 0 0 454.386 4.819 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC001435188389 1064577128 /nfs/dbraw/zinc/57/71/28/1064577128.db2.gz IAYNRKMBZZSTER-FOIQADDNSA-N 0 0 450.398 4.517 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001359883405 1064577776 /nfs/dbraw/zinc/57/77/76/1064577776.db2.gz JWJZZQZLEYXRIV-FXAWDEMLSA-N 0 0 453.023 4.690 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC001359883893 1064578706 /nfs/dbraw/zinc/57/87/06/1064578706.db2.gz SGFASTYTCIQNMF-UHFFFAOYSA-N 0 0 454.324 4.563 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001359884019 1064578776 /nfs/dbraw/zinc/57/87/76/1064578776.db2.gz RKFYELQEKJBWIB-OAHLLOKOSA-N 0 0 452.776 4.734 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C3CCC3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359883940 1064578791 /nfs/dbraw/zinc/57/87/91/1064578791.db2.gz KVRXXWDHNCALLK-GOSISDBHSA-N 0 0 451.537 4.997 20 0 JJADRN COc1cccc([C@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c2ccccc2Cl)c1 ZINC001435189383 1064578959 /nfs/dbraw/zinc/57/89/59/1064578959.db2.gz CFBBOVFQECEUJX-DEOSSOPVSA-N 0 0 457.979 4.727 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)s2)cc1 ZINC001435189250 1064579115 /nfs/dbraw/zinc/57/91/15/1064579115.db2.gz QNRKMEHMXWXGEQ-CQSZACIVSA-N 0 0 452.580 4.998 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)C1 ZINC001359884773 1064579113 /nfs/dbraw/zinc/57/91/13/1064579113.db2.gz QHPWEMBQTWYNSK-RBBKRZOGSA-N 0 0 487.620 4.646 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 ZINC001359884746 1064579333 /nfs/dbraw/zinc/57/93/33/1064579333.db2.gz QBQAQVJSPWTTSC-MYGLTJDJSA-N 0 0 489.705 4.764 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001435190137 1064579487 /nfs/dbraw/zinc/57/94/87/1064579487.db2.gz GHVGPBDUCXLWOC-LULLPPNCSA-N 0 0 456.505 4.888 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001435190625 1064580060 /nfs/dbraw/zinc/58/00/60/1064580060.db2.gz HPKAEOHQXDSRFV-FGZHOGPDSA-N 0 0 459.631 4.762 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001435190621 1064580149 /nfs/dbraw/zinc/58/01/49/1064580149.db2.gz HPKAEOHQXDSRFV-FCHUYYIVSA-N 0 0 459.631 4.762 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC001435190375 1064580261 /nfs/dbraw/zinc/58/02/61/1064580261.db2.gz XKSXGVQRKWLCNC-AWEZNQCLSA-N 0 0 458.605 4.584 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)C1 ZINC001359885531 1064580833 /nfs/dbraw/zinc/58/08/33/1064580833.db2.gz BZSNILGXKXJEQT-QUCCMNQESA-N 0 0 465.063 4.902 20 0 JJADRN Cc1nc(C(C)(C)NC(=O)CCc2nc(-c3cc(Br)cs3)no2)sc1C ZINC001435192285 1064581639 /nfs/dbraw/zinc/58/16/39/1064581639.db2.gz BIEBWDYBJYKLAO-UHFFFAOYSA-N 0 0 455.403 4.618 20 0 JJADRN COc1cccc([C@@H](NC(=O)CN(CCc2ccccc2)C(C)=O)c2ccccc2Cl)c1 ZINC001435192923 1064581677 /nfs/dbraw/zinc/58/16/77/1064581677.db2.gz RWQRFMBQBATHRB-AREMUKBSSA-N 0 0 450.966 4.645 20 0 JJADRN CCSc1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001435193197 1064582144 /nfs/dbraw/zinc/58/21/44/1064582144.db2.gz GPDZENSJPFMQQC-QGZVFWFLSA-N 0 0 452.363 4.949 20 0 JJADRN Cc1cc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)nn1-c1ccc(Cl)cc1 ZINC001435194311 1064582976 /nfs/dbraw/zinc/58/29/76/1064582976.db2.gz JJBWNEKJMABTGX-UHFFFAOYSA-N 0 0 453.930 4.886 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)C1 ZINC001359886718 1064583099 /nfs/dbraw/zinc/58/30/99/1064583099.db2.gz OGHPVOJPDAHYMS-QGZVFWFLSA-N 0 0 473.971 4.877 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359887280 1064583440 /nfs/dbraw/zinc/58/34/40/1064583440.db2.gz UMGJRPYREOFOAL-QHCPKHFHSA-N 0 0 451.659 4.828 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC001435195323 1064583518 /nfs/dbraw/zinc/58/35/18/1064583518.db2.gz HZUGVCPMRSBGSR-NLFFAJNJSA-N 0 0 451.588 4.688 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359887487 1064583881 /nfs/dbraw/zinc/58/38/81/1064583881.db2.gz WGRBGNXYQKUMBW-PWRODBHTSA-N 0 0 477.694 4.936 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccccc2F)C1 ZINC001359887739 1064583923 /nfs/dbraw/zinc/58/39/23/1064583923.db2.gz YABUEZWRWJNCFG-MOPGFXCFSA-N 0 0 485.629 4.749 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888151 1064584952 /nfs/dbraw/zinc/58/49/52/1064584952.db2.gz WCMGLKYYRLUGAE-KRWDZBQOSA-N 0 0 454.246 4.945 20 0 JJADRN O=C(Cc1ccc(-n2cnnc2)cc1)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888296 1064585072 /nfs/dbraw/zinc/58/50/72/1064585072.db2.gz ZZNZDFVRMMVSOZ-KRWDZBQOSA-N 0 0 454.246 4.809 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001435196654 1064585154 /nfs/dbraw/zinc/58/51/54/1064585154.db2.gz TVQOBZLYELUJQV-INIZCTEOSA-N 0 0 453.461 4.798 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@@H](C)Oc3cccc(C)c3)cc2Br)on1 ZINC001435196851 1064585367 /nfs/dbraw/zinc/58/53/67/1064585367.db2.gz AZYTZTBUKJXSCF-MRXNPFEDSA-N 0 0 459.340 4.830 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435197842 1064585870 /nfs/dbraw/zinc/58/58/70/1064585870.db2.gz JLVMOYVCEGKLSM-UHFFFAOYSA-N 0 0 450.720 4.628 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCSC1 ZINC001359888594 1064585941 /nfs/dbraw/zinc/58/59/41/1064585941.db2.gz GIWQVYRNYPDHJV-VGOFRKELSA-N 0 0 454.587 4.675 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccn4)cc3)cc2)C1 ZINC001435197980 1064586270 /nfs/dbraw/zinc/58/62/70/1064586270.db2.gz HLYZPUZYKXWYGM-GOSISDBHSA-N 0 0 451.548 4.547 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC[C@H]1C ZINC001359888800 1064586340 /nfs/dbraw/zinc/58/63/40/1064586340.db2.gz INLWQCSBGUNBTO-OPAMFIHVSA-N 0 0 454.587 4.675 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nscc1Br ZINC001435199039 1064586685 /nfs/dbraw/zinc/58/66/85/1064586685.db2.gz NMXSIIZHWXXJNT-UHFFFAOYSA-N 0 0 457.328 4.827 20 0 JJADRN CCn1nc(C(C)C)cc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001435198984 1064586746 /nfs/dbraw/zinc/58/67/46/1064586746.db2.gz UWPXHJOHODBAOL-DEOSSOPVSA-N 0 0 453.608 4.566 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001359889046 1064586988 /nfs/dbraw/zinc/58/69/88/1064586988.db2.gz KUFMCTQFSHEYNB-RUZDIDTESA-N 0 0 487.023 4.646 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 ZINC001435200144 1064587243 /nfs/dbraw/zinc/58/72/43/1064587243.db2.gz RXSYMAKDPOEIAA-UHFFFAOYSA-N 0 0 453.564 4.937 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001359889646 1064587857 /nfs/dbraw/zinc/58/78/57/1064587857.db2.gz DEBNOYZGWQIKHF-AREMUKBSSA-N 0 0 485.579 4.853 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)cn2)cc1 ZINC001435200807 1064588179 /nfs/dbraw/zinc/58/81/79/1064588179.db2.gz XGWFRGXTJRRUQV-CQSZACIVSA-N 0 0 455.873 4.667 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](C)C1 ZINC001359889991 1064588253 /nfs/dbraw/zinc/58/82/53/1064588253.db2.gz QQKXJSNFFYNAIC-VGOFRKELSA-N 0 0 466.468 4.860 20 0 JJADRN O=C(CO[C@@H]1CCCc2ccccc21)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435202000 1064588499 /nfs/dbraw/zinc/58/84/99/1064588499.db2.gz SRGJCQAUOQVVKX-MRXNPFEDSA-N 0 0 459.262 4.818 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435201369 1064588586 /nfs/dbraw/zinc/58/85/86/1064588586.db2.gz LEVVJMHUFGNRIZ-WQLSENKSSA-N 0 0 459.262 4.921 20 0 JJADRN Cc1c(C(=O)N2CCCCC[C@H]2c2ccco2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001435201798 1064588652 /nfs/dbraw/zinc/58/86/52/1064588652.db2.gz DQXKLLVGMHEXOQ-IBGZPJMESA-N 0 0 457.575 4.509 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cncc(Br)c2)n1C ZINC001435201497 1064588729 /nfs/dbraw/zinc/58/87/29/1064588729.db2.gz XSYALAAGQZEIKX-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001359890073 1064588886 /nfs/dbraw/zinc/58/88/86/1064588886.db2.gz RJJFUQSPGNKCSE-FHJLPGHOSA-N 0 0 450.624 4.686 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001359890371 1064589717 /nfs/dbraw/zinc/58/97/17/1064589717.db2.gz TVQLURSKGNYODJ-SYVJQLTCSA-N 0 0 488.698 4.695 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1 ZINC001359890314 1064589781 /nfs/dbraw/zinc/58/97/81/1064589781.db2.gz SAMYXPOGXFWCOS-JOCHJYFZSA-N 0 0 460.420 4.859 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359890652 1064590256 /nfs/dbraw/zinc/59/02/56/1064590256.db2.gz UVJBSXZDVFATHH-RRQZXNHTSA-N 0 0 462.610 4.748 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1 ZINC001359890887 1064590560 /nfs/dbraw/zinc/59/05/60/1064590560.db2.gz VVHFPZFELMYXTA-KUHUBIRLSA-N 0 0 473.506 4.898 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2sccc2C1 ZINC001359890954 1064590669 /nfs/dbraw/zinc/59/06/69/1064590669.db2.gz WZEGOEVWNSYDIR-OAQYLSRUSA-N 0 0 478.460 4.847 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)c1C ZINC001435205081 1064590670 /nfs/dbraw/zinc/59/06/70/1064590670.db2.gz CNSPRQWLDCMISY-CQSZACIVSA-N 0 0 454.372 4.745 20 0 JJADRN CCCN(C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001435205259 1064591486 /nfs/dbraw/zinc/59/14/86/1064591486.db2.gz CLHCXAPZNUJKEN-WMQCIHAUSA-N 0 0 457.640 4.934 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001359891213 1064591573 /nfs/dbraw/zinc/59/15/73/1064591573.db2.gz PGBOQCXLEOQTNG-CPJSRVTESA-N 0 0 470.017 4.838 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359891328 1064591798 /nfs/dbraw/zinc/59/17/98/1064591798.db2.gz QCQYPOCQLUIRRO-HTAPYJJXSA-N 0 0 468.520 4.640 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)c2cc(I)c(Cl)cc2Cl)c1 ZINC001435207982 1064592667 /nfs/dbraw/zinc/59/26/67/1064592667.db2.gz XUFABMJBIZLOFX-OAQYLSRUSA-N 0 0 454.116 4.588 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359891875 1064593232 /nfs/dbraw/zinc/59/32/32/1064593232.db2.gz YQGBMCKGBBASTQ-MRUHUIDDSA-N 0 0 455.981 4.908 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001359891745 1064593273 /nfs/dbraw/zinc/59/32/73/1064593273.db2.gz WSASSGUEHQKSAK-CLOONOSVSA-N 0 0 486.661 4.611 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC001359891790 1064593320 /nfs/dbraw/zinc/59/33/20/1064593320.db2.gz XKDXCNPUVVHTKF-IERDGZPVSA-N 0 0 467.477 4.837 20 0 JJADRN CCc1ccc([C@H](COC)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)o1 ZINC001435209017 1064593278 /nfs/dbraw/zinc/59/32/78/1064593278.db2.gz UFDPFVJFZGXMOA-KXBFYZLASA-N 0 0 453.366 4.505 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2ccc3c(Br)cnn3c2)cc1 ZINC001435210324 1064593743 /nfs/dbraw/zinc/59/37/43/1064593743.db2.gz FSISPQSQSAMNFC-UHFFFAOYSA-N 0 0 450.336 4.995 20 0 JJADRN CCN(C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001359892580 1064593789 /nfs/dbraw/zinc/59/37/89/1064593789.db2.gz PKIALYZMNIIURP-XMSQKQJNSA-N 0 0 451.567 4.540 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001435211007 1064593817 /nfs/dbraw/zinc/59/38/17/1064593817.db2.gz KZWNKSODDBIYCD-UHFFFAOYSA-N 0 0 456.542 4.737 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001359892721 1064594118 /nfs/dbraw/zinc/59/41/18/1064594118.db2.gz AFWWLRHNNIUJLS-BPUGDSSMSA-N 0 0 477.694 4.815 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359892745 1064594176 /nfs/dbraw/zinc/59/41/76/1064594176.db2.gz AMCMVRBQMAZZPY-FNZWTVRRSA-N 0 0 461.695 4.500 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC=C(Br)C1 ZINC001359893732 1064594575 /nfs/dbraw/zinc/59/45/75/1064594575.db2.gz HQOCVPMBHNPIIA-DEOSSOPVSA-N 0 0 499.457 4.807 20 0 JJADRN Cc1cc(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)ccc1OC1CCOCC1 ZINC001435213248 1064594556 /nfs/dbraw/zinc/59/45/56/1064594556.db2.gz OCXKZGFZWDXJAV-SANMLTNESA-N 0 0 452.551 4.540 20 0 JJADRN Cc1cc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)ccc1OC1CCOCC1 ZINC001435213247 1064594602 /nfs/dbraw/zinc/59/46/02/1064594602.db2.gz OCXKZGFZWDXJAV-AREMUKBSSA-N 0 0 452.551 4.540 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 ZINC001359893163 1064594674 /nfs/dbraw/zinc/59/46/74/1064594674.db2.gz CVUDKIAIMSIFPG-QFQXNSOFSA-N 0 0 477.694 4.816 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 ZINC001359893162 1064594721 /nfs/dbraw/zinc/59/47/21/1064594721.db2.gz CVUDKIAIMSIFPG-LVXARBLLSA-N 0 0 477.694 4.816 20 0 JJADRN CCCN(C(=O)CC1(Cn2cnnn2)CCCCC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435213633 1064595005 /nfs/dbraw/zinc/59/50/05/1064595005.db2.gz QDQIQUSZZBMWEE-DEOSSOPVSA-N 0 0 450.562 4.576 20 0 JJADRN O=C(NCCS(=O)(=O)Cc1ccccc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001435213770 1064595098 /nfs/dbraw/zinc/59/50/98/1064595098.db2.gz SIGUZQHFICRPGG-UHFFFAOYSA-N 0 0 454.419 4.927 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC001435213863 1064595148 /nfs/dbraw/zinc/59/51/48/1064595148.db2.gz MBXUBADCEMGWQB-XMMPIXPASA-N 0 0 459.521 4.750 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359894603 1064595620 /nfs/dbraw/zinc/59/56/20/1064595620.db2.gz OVYRLMOFONIQEP-YBVWCTEOSA-N 0 0 479.547 4.770 20 0 JJADRN 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ZINC001435249763 1064626587 /nfs/dbraw/zinc/62/65/87/1064626587.db2.gz HJDTVABXWYTXTJ-MHZLTWQESA-N 0 0 457.553 4.989 20 0 JJADRN CCc1ccc2occ(C(=O)NCc3cccnc3Oc3cccc(S(C)(=O)=O)c3)c2c1 ZINC001435249867 1064626668 /nfs/dbraw/zinc/62/66/68/1064626668.db2.gz YWIUWWHZRLQIRW-UHFFFAOYSA-N 0 0 450.516 4.516 20 0 JJADRN CN(CCOc1ccccc1C(=O)N1CCCO[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001359909399 1064626722 /nfs/dbraw/zinc/62/67/22/1064626722.db2.gz OLUPZUYUQAHSHQ-HSZRJFAPSA-N 0 0 454.567 4.536 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001359910840 1064627593 /nfs/dbraw/zinc/62/75/93/1064627593.db2.gz DMJQEQQVJYUBBP-KRWDZBQOSA-N 0 0 485.995 4.978 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCC2(c3ccccc3Br)CC2)CCCCC1 ZINC001435251908 1064628271 /nfs/dbraw/zinc/62/82/71/1064628271.db2.gz JBAGBHHSDOLGRO-UHFFFAOYSA-N 0 0 451.405 4.825 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1cnc2c(Cl)cnn2c1 ZINC001359911378 1064628309 /nfs/dbraw/zinc/62/83/09/1064628309.db2.gz PLBVWJLXCVEFLA-QGZVFWFLSA-N 0 0 485.995 4.978 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)C1CCCC1 ZINC001435251569 1064628350 /nfs/dbraw/zinc/62/83/50/1064628350.db2.gz FUDZLSHDIQXTPV-UHFFFAOYSA-N 0 0 458.599 4.909 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001359911607 1064628516 /nfs/dbraw/zinc/62/85/16/1064628516.db2.gz CCLVRTFALKBYGP-NRFANRHFSA-N 0 0 484.645 4.522 20 0 JJADRN CC(C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 ZINC001359912034 1064630058 /nfs/dbraw/zinc/63/00/58/1064630058.db2.gz KFCCWXBKOJXCFY-UHFFFAOYSA-N 0 0 472.062 4.777 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001359912146 1064630090 /nfs/dbraw/zinc/63/00/90/1064630090.db2.gz NKFBISAAOMYXIY-RTWAWAEBSA-N 0 0 475.678 4.918 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc(Br)ccc1C1CC1 ZINC001435254229 1064631124 /nfs/dbraw/zinc/63/11/24/1064631124.db2.gz HQAVMXWNCIFVJK-UHFFFAOYSA-N 0 0 454.267 4.929 20 0 JJADRN CC(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001359912496 1064631371 /nfs/dbraw/zinc/63/13/71/1064631371.db2.gz ZKEQOVQRMNDSIJ-NRFANRHFSA-N 0 0 467.639 4.674 20 0 JJADRN CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001359912638 1064631390 /nfs/dbraw/zinc/63/13/90/1064631390.db2.gz DXOBBNIWWKXDSB-UHFFFAOYSA-N 0 0 457.452 4.922 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ncn(-c2ccccc2)n1 ZINC001359912659 1064631445 /nfs/dbraw/zinc/63/14/45/1064631445.db2.gz FUMUFFGBGKQAJT-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)NCC1(c2ccccc2Br)CC1 ZINC001435254741 1064631779 /nfs/dbraw/zinc/63/17/79/1064631779.db2.gz RCULOWICZCTOOK-UHFFFAOYSA-N 0 0 459.128 4.880 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001359912757 1064632039 /nfs/dbraw/zinc/63/20/39/1064632039.db2.gz KBCCYFZFAOCDNR-HXUWFJFHSA-N 0 0 454.567 4.746 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001435255058 1064632620 /nfs/dbraw/zinc/63/26/20/1064632620.db2.gz JULSSXQMZQKCIN-UHFFFAOYSA-N 0 0 451.626 4.945 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)c1ccco1 ZINC001359914098 1064632996 /nfs/dbraw/zinc/63/29/96/1064632996.db2.gz BVPRBLCDGLKYBK-NRFANRHFSA-N 0 0 465.367 4.830 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccccc1C(=O)OC ZINC001435256406 1064633207 /nfs/dbraw/zinc/63/32/07/1064633207.db2.gz ZFBDBJHJSHSAIT-SFHVURJKSA-N 0 0 452.551 4.601 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)cc2)C1 ZINC001359914527 1064633911 /nfs/dbraw/zinc/63/39/11/1064633911.db2.gz WIEAEQJTVCYMDC-QFZRFWILSA-N 0 0 454.636 4.639 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)OC(C)(C)C ZINC001359914433 1064634042 /nfs/dbraw/zinc/63/40/42/1064634042.db2.gz HMKVUIMHXDQNTC-UHFFFAOYSA-N 0 0 484.414 4.854 20 0 JJADRN CN(C(=O)C(C)(C)Oc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001435257536 1064634340 /nfs/dbraw/zinc/63/43/40/1064634340.db2.gz CSOIEZIPPDKKJB-SFHVURJKSA-N 0 0 454.876 4.780 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(-n2cccn2)cc1 ZINC001359914960 1064634713 /nfs/dbraw/zinc/63/47/13/1064634713.db2.gz RPEGPULMLGPUNF-UHFFFAOYSA-N 0 0 482.430 4.946 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(n1)CCCC2 ZINC001359914980 1064635699 /nfs/dbraw/zinc/63/56/99/1064635699.db2.gz SKNRSKYNDXJZPX-UHFFFAOYSA-N 0 0 471.447 4.851 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359915285 1064636532 /nfs/dbraw/zinc/63/65/32/1064636532.db2.gz GRJUVNJOVANLTI-LJQANCHMSA-N 0 0 473.618 4.705 20 0 JJADRN CCSCc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)no1 ZINC001359916417 1064638115 /nfs/dbraw/zinc/63/81/15/1064638115.db2.gz AJTBPLABZBEUMO-LJQANCHMSA-N 0 0 459.612 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001359916933 1064638237 /nfs/dbraw/zinc/63/82/37/1064638237.db2.gz MLVVQOWEJQKTQP-VWNXMTODSA-N 0 0 450.579 4.729 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435262346 1064638216 /nfs/dbraw/zinc/63/82/16/1064638216.db2.gz VYYSRZFTKGDWEM-HKUYNNGSSA-N 0 0 453.174 4.609 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc4nn(C(C)C)cc4c3)cc2)c1 ZINC001435261910 1064638439 /nfs/dbraw/zinc/63/84/39/1064638439.db2.gz UVNZOVXXODUJKI-UHFFFAOYSA-N 0 0 458.518 4.896 20 0 JJADRN COCc1nc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(-c2ccccc2)s1 ZINC001359917286 1064639476 /nfs/dbraw/zinc/63/94/76/1064639476.db2.gz XSSGEPWXGUEUIO-UHFFFAOYSA-N 0 0 455.433 4.883 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001359917126 1064639529 /nfs/dbraw/zinc/63/95/29/1064639529.db2.gz SPYIJCJBHJTCMF-UHFFFAOYSA-N 0 0 454.449 4.806 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(F)F)c1 ZINC001359917887 1064639875 /nfs/dbraw/zinc/63/98/75/1064639875.db2.gz RFZLIHXSPSJBCI-UHFFFAOYSA-N 0 0 476.597 4.706 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC12CCOCC2 ZINC001359918178 1064641030 /nfs/dbraw/zinc/64/10/30/1064641030.db2.gz BSCJVXZFXKCSDM-SFTDATJTSA-N 0 0 475.678 4.692 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC(C)(C)C ZINC001359918723 1064642569 /nfs/dbraw/zinc/64/25/69/1064642569.db2.gz NRIWJDNORIJLNR-IBGZPJMESA-N 0 0 451.656 4.690 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1 ZINC001435266052 1064643283 /nfs/dbraw/zinc/64/32/83/1064643283.db2.gz PTVRWIKAFHOJKH-AWEZNQCLSA-N 0 0 455.769 4.707 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001359918986 1064643391 /nfs/dbraw/zinc/64/33/91/1064643391.db2.gz UCLKADUBYKSSFW-YPAWHYETSA-N 0 0 477.694 4.936 20 0 JJADRN COC(=O)c1ccccc1CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C ZINC001359919418 1064643419 /nfs/dbraw/zinc/64/34/19/1064643419.db2.gz GJGDEKCZBKFEDG-UHFFFAOYSA-N 0 0 451.832 4.727 20 0 JJADRN COC(=O)c1ccc(CC(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1 ZINC001359919298 1064643438 /nfs/dbraw/zinc/64/34/38/1064643438.db2.gz BKGACEXNQKHIJJ-UHFFFAOYSA-N 0 0 451.832 4.727 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435265485 1064643421 /nfs/dbraw/zinc/64/34/21/1064643421.db2.gz PBOXKSVSBCKLAU-UHFFFAOYSA-N 0 0 452.454 4.765 20 0 JJADRN COc1cc2c(cc1C(=O)Nc1c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn1C)OCO2 ZINC001359919525 1064643492 /nfs/dbraw/zinc/64/34/92/1064643492.db2.gz JYHSYMVIQRWXFI-UHFFFAOYSA-N 0 0 453.804 4.749 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435266157 1064644054 /nfs/dbraw/zinc/64/40/54/1064644054.db2.gz QYUKUJVBFQXWTG-MRXNPFEDSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)n2)cc1F ZINC001435266419 1064644305 /nfs/dbraw/zinc/64/43/05/1064644305.db2.gz OOZBRDJCZAVJFL-UHFFFAOYSA-N 0 0 453.514 4.869 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001435267124 1064644870 /nfs/dbraw/zinc/64/48/70/1064644870.db2.gz SSTAAXYUGMTVQJ-LVXARBLLSA-N 0 0 454.636 4.712 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2)cs1 ZINC001435267271 1064645030 /nfs/dbraw/zinc/64/50/30/1064645030.db2.gz VXEDQEYQTQKFAB-HXUWFJFHSA-N 0 0 455.967 4.609 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC001435267134 1064645054 /nfs/dbraw/zinc/64/50/54/1064645054.db2.gz TWDHCWDXIKDYOO-CYFREDJKSA-N 0 0 458.599 4.535 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCN(C(=O)[C@@H](C)Oc4ccc(C)cc4Cl)CC3)CCC2)cc1 ZINC001435267658 1064646055 /nfs/dbraw/zinc/64/60/55/1064646055.db2.gz YZYGWNYTCBGNMF-HXUWFJFHSA-N 0 0 454.998 4.517 20 0 JJADRN CC(C)CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1 ZINC001359921384 1064646996 /nfs/dbraw/zinc/64/69/96/1064646996.db2.gz GUWLFDOBAPNFMK-MSOLQXFVSA-N 0 0 465.436 4.917 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1)c1ccccc1 ZINC001435269774 1064648632 /nfs/dbraw/zinc/64/86/32/1064648632.db2.gz FNCQQEZNWLBVLN-SFHVURJKSA-N 0 0 459.493 4.864 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)COc1ccccc1Cc1ccccc1 ZINC001435271598 1064649267 /nfs/dbraw/zinc/64/92/67/1064649267.db2.gz SRQKXDORXDFAPW-NFBKMPQASA-N 0 0 452.595 4.951 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(SC)cc4)ns3)cc2C1=O ZINC001435271683 1064649444 /nfs/dbraw/zinc/64/94/44/1064649444.db2.gz HHWGZEHUDAXOBJ-UHFFFAOYSA-N 0 0 452.561 4.575 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)cs2)cc1OC ZINC001435272191 1064650254 /nfs/dbraw/zinc/65/02/54/1064650254.db2.gz WFZQHKSWNKEYGZ-INIZCTEOSA-N 0 0 457.983 4.880 20 0 JJADRN COc1ccc(-c2nc(COC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)cs2)cc1 ZINC001435272804 1064650662 /nfs/dbraw/zinc/65/06/62/1064650662.db2.gz LHPYUHLMARJAOT-ROUUACIJSA-N 0 0 452.576 4.785 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001435272790 1064650725 /nfs/dbraw/zinc/65/07/25/1064650725.db2.gz KYARHVDJYVNEET-GFCCVEGCSA-N 0 0 453.720 4.774 20 0 JJADRN CC(C)CCN(c1nnc(-c2cccn2C)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC001359923285 1064651404 /nfs/dbraw/zinc/65/14/04/1064651404.db2.gz FFJUNQKBNHNPAQ-UHFFFAOYSA-N 0 0 466.596 4.963 20 0 JJADRN Cc1nc([C@@H]2CCCCN2C(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)no1 ZINC001435274144 1064652187 /nfs/dbraw/zinc/65/21/87/1064652187.db2.gz OJWHNCPUDIXSKM-KRWDZBQOSA-N 0 0 459.344 4.790 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)N1CCCC[C@@H]1c1ncon1 ZINC001435273919 1064652437 /nfs/dbraw/zinc/65/24/37/1064652437.db2.gz LIKZATNRUNSIAN-QGZVFWFLSA-N 0 0 453.324 4.531 20 0 JJADRN CC(C)CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 ZINC001359923607 1064653056 /nfs/dbraw/zinc/65/30/56/1064653056.db2.gz PNOUGGKBHWPKEQ-CVEARBPZSA-N 0 0 450.425 4.723 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)n2)cc1 ZINC001435274748 1064653307 /nfs/dbraw/zinc/65/33/07/1064653307.db2.gz XEFLSDPFZNQBNN-UHFFFAOYSA-N 0 0 455.540 4.996 20 0 JJADRN CC(C)CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1C)C1CC1 ZINC001359923741 1064653505 /nfs/dbraw/zinc/65/35/05/1064653505.db2.gz UKPCMWIMGDZVMO-UYAOXDASSA-N 0 0 474.049 4.549 20 0 JJADRN CC(C)CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 ZINC001359923662 1064653514 /nfs/dbraw/zinc/65/35/14/1064653514.db2.gz RSAIFWKFWFWHDD-JOCHJYFZSA-N 0 0 453.631 4.756 20 0 JJADRN CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC001359923709 1064653577 /nfs/dbraw/zinc/65/35/77/1064653577.db2.gz SZXPBGGPJJFNRU-VQIMIIECSA-N 0 0 464.452 4.612 20 0 JJADRN NC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)n1 ZINC001435275508 1064654144 /nfs/dbraw/zinc/65/41/44/1064654144.db2.gz YKYTZIBBFLVGDC-UHFFFAOYSA-N 0 0 458.330 4.654 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C(C)C)C1CC1 ZINC001359923935 1064654399 /nfs/dbraw/zinc/65/43/99/1064654399.db2.gz BQXWJYDFNIILHO-PWRODBHTSA-N 0 0 461.651 4.818 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC001359924346 1064655137 /nfs/dbraw/zinc/65/51/37/1064655137.db2.gz MQGWAAROKJDNDT-IBGZPJMESA-N 0 0 467.536 4.919 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001359924701 1064655821 /nfs/dbraw/zinc/65/58/21/1064655821.db2.gz WVGZUMYPWBDIHT-RTWAWAEBSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)N(C)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC001359925027 1064655957 /nfs/dbraw/zinc/65/59/57/1064655957.db2.gz KDTMGQOVMXNIMX-UHFFFAOYSA-N 0 0 451.552 4.755 20 0 JJADRN Cc1noc2ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(C(F)(F)F)c3)cc12 ZINC001435279196 1064657180 /nfs/dbraw/zinc/65/71/80/1064657180.db2.gz TZPUQWWPKCAYIV-INIZCTEOSA-N 0 0 450.417 4.755 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1CCOCC1)C1CC1 ZINC001359926056 1064657256 /nfs/dbraw/zinc/65/72/56/1064657256.db2.gz AQURTWPHKDJJTM-OYRHEFFESA-N 0 0 475.678 4.880 20 0 JJADRN CC(C)CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC001359926307 1064657958 /nfs/dbraw/zinc/65/79/58/1064657958.db2.gz JWOGRWCRWGYMCD-QFIPXVFZSA-N 0 0 468.646 4.678 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c(F)c1 ZINC001435282235 1064659489 /nfs/dbraw/zinc/65/94/89/1064659489.db2.gz AZSWQGNYTPKMEP-UHFFFAOYSA-N 0 0 450.392 4.588 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)s1 ZINC001435282686 1064659579 /nfs/dbraw/zinc/65/95/79/1064659579.db2.gz NFRZUOKQBKKQQA-UHFFFAOYSA-N 0 0 451.292 4.736 20 0 JJADRN COc1cc(C(=O)NC[C@H](OC)C(C)(C)C)ccc1OCc1ccc(Br)s1 ZINC001435283451 1064661051 /nfs/dbraw/zinc/66/10/51/1064661051.db2.gz WFOCAIQYAYEYEZ-KRWDZBQOSA-N 0 0 456.402 4.889 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n1 ZINC001435284310 1064662000 /nfs/dbraw/zinc/66/20/00/1064662000.db2.gz RYULTFNQYMFGDH-LJQANCHMSA-N 0 0 459.550 4.928 20 0 JJADRN Cc1nc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)ccc1Br ZINC001435285093 1064662612 /nfs/dbraw/zinc/66/26/12/1064662612.db2.gz XOPXWMMLFFTPFL-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)n2)cc1 ZINC001359928567 1064664486 /nfs/dbraw/zinc/66/44/86/1064664486.db2.gz IRPODYYJHUJFAG-QHCPKHFHSA-N 0 0 458.580 4.553 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c2cc(Br)ccc2n1 ZINC001359928201 1064664616 /nfs/dbraw/zinc/66/46/16/1064664616.db2.gz UCVINUZEXJIJMK-OAQYLSRUSA-N 0 0 453.336 4.654 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)n1 ZINC001435288247 1064664652 /nfs/dbraw/zinc/66/46/52/1064664652.db2.gz HTOMGSJLEWXVIM-SFHVURJKSA-N 0 0 459.550 4.854 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CCOc1cccc(I)c1 ZINC001435288308 1064664879 /nfs/dbraw/zinc/66/48/79/1064664879.db2.gz HNQXGCOSINGHFV-LJQANCHMSA-N 0 0 455.311 4.583 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CCOc1cccc(I)c1 ZINC001435288304 1064664921 /nfs/dbraw/zinc/66/49/21/1064664921.db2.gz HNQXGCOSINGHFV-IBGZPJMESA-N 0 0 455.311 4.583 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccn(C3CCOCC3)n2)c(C(F)(F)F)c1 ZINC001359929170 1064665566 /nfs/dbraw/zinc/66/55/66/1064665566.db2.gz YDVBRNLPTXKEGG-UHFFFAOYSA-N 0 0 454.449 4.853 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)Oc1ccccc1F ZINC001435289675 1064665631 /nfs/dbraw/zinc/66/56/31/1064665631.db2.gz JAUCZOBVDYLYJP-CYBMUJFWSA-N 0 0 455.839 4.940 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001359928978 1064665607 /nfs/dbraw/zinc/66/56/07/1064665607.db2.gz RYQFGNHIWBUXIV-WFASDCNBSA-N 0 0 459.493 4.766 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCCc3ccn(-c4ccc(F)cc4)n3)s2)c(F)c1 ZINC001435290346 1064666655 /nfs/dbraw/zinc/66/66/55/1064666655.db2.gz LBAAFYZMPAFENY-UHFFFAOYSA-N 0 0 454.502 4.564 20 0 JJADRN CC(C)(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)c1csc(-c2ccccc2F)n1 ZINC001435291706 1064667188 /nfs/dbraw/zinc/66/71/88/1064667188.db2.gz PQPVNQUSOZMURJ-UHFFFAOYSA-N 0 0 452.530 4.911 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 ZINC001435291143 1064667274 /nfs/dbraw/zinc/66/72/74/1064667274.db2.gz LHZAFTNKQJZLOQ-JOCHJYFZSA-N 0 0 450.516 4.729 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001435292520 1064668316 /nfs/dbraw/zinc/66/83/16/1064668316.db2.gz ZBQZHTWOVZBIJQ-IBGZPJMESA-N 0 0 458.444 4.869 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1 ZINC001435292675 1064668723 /nfs/dbraw/zinc/66/87/23/1064668723.db2.gz COQLVBQEMSWYFV-RRBXVBTKSA-N 0 0 455.769 4.750 20 0 JJADRN CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001359930549 1064669102 /nfs/dbraw/zinc/66/91/02/1064669102.db2.gz LGHHSHHDUJYIIZ-LAUBAEHRSA-N 0 0 488.057 4.936 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1 ZINC001435293359 1064669555 /nfs/dbraw/zinc/66/95/55/1064669555.db2.gz XHPHBBQBEUCCSF-IEXUWNMDSA-N 0 0 452.595 4.783 20 0 JJADRN COc1ccc(SCCC(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1OC ZINC001435293482 1064669575 /nfs/dbraw/zinc/66/95/75/1064669575.db2.gz GXVZWIZFCGUKAK-AWEZNQCLSA-N 0 0 454.386 4.532 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 ZINC001435293357 1064669623 /nfs/dbraw/zinc/66/96/23/1064669623.db2.gz XHPHBBQBEUCCSF-FOVJLYNBSA-N 0 0 452.595 4.783 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(NC(C)=O)c(F)c2)cc1 ZINC001435293353 1064669668 /nfs/dbraw/zinc/66/96/68/1064669668.db2.gz UCGTULUKRVKMCE-UHFFFAOYSA-N 0 0 456.495 4.622 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)nc1 ZINC001435294243 1064669777 /nfs/dbraw/zinc/66/97/77/1064669777.db2.gz MVDDKFNCZLTFAA-HNNXBMFYSA-N 0 0 457.324 4.842 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001359932070 1064669943 /nfs/dbraw/zinc/66/99/43/1064669943.db2.gz GXQSNILVJGFSLB-LSDHHAIUSA-N 0 0 476.923 4.902 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@H]1C[C@]1(C)Br ZINC001359932220 1064669951 /nfs/dbraw/zinc/66/99/51/1064669951.db2.gz KRSKIAASJIWJIK-WBMJQRKESA-N 0 0 455.702 4.708 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)C2)ncn1 ZINC001359931810 1064669955 /nfs/dbraw/zinc/66/99/55/1064669955.db2.gz COJSLOUPWJIHGG-MRXNPFEDSA-N 0 0 452.908 4.528 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(C(=O)OC)c(F)c1)C1CC1 ZINC001359932254 1064669965 /nfs/dbraw/zinc/66/99/65/1064669965.db2.gz MCGJRWGBMDJKAF-UHFFFAOYSA-N 0 0 450.304 4.578 20 0 JJADRN Cc1cnc2cc(C(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)ccn12 ZINC001359932168 1064669976 /nfs/dbraw/zinc/66/99/76/1064669976.db2.gz JMEJHGJVMBHZBU-UHFFFAOYSA-N 0 0 452.864 4.804 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1NC(=O)c1ccco1 ZINC001435294556 1064670069 /nfs/dbraw/zinc/67/00/69/1064670069.db2.gz RAKZSYLUEDROCQ-HNNXBMFYSA-N 0 0 457.324 4.800 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001435294488 1064670151 /nfs/dbraw/zinc/67/01/51/1064670151.db2.gz AZRDIYKIVVBWMB-MPGHIAIKSA-N 0 0 452.393 4.907 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1NC(=O)c1ccco1 ZINC001435294558 1064670176 /nfs/dbraw/zinc/67/01/76/1064670176.db2.gz RAKZSYLUEDROCQ-OAHLLOKOSA-N 0 0 457.324 4.800 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001435294487 1064670201 /nfs/dbraw/zinc/67/02/01/1064670201.db2.gz AZRDIYKIVVBWMB-DAYGRLMNSA-N 0 0 452.393 4.907 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc(-n2cncn2)cc1C)C1CC1 ZINC001359932588 1064670492 /nfs/dbraw/zinc/67/04/92/1064670492.db2.gz YRPHBETUGBYRPN-UHFFFAOYSA-N 0 0 455.356 4.542 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1cc(Cl)nc(N(C)C)c1)C1CC1 ZINC001359932404 1064670685 /nfs/dbraw/zinc/67/06/85/1064670685.db2.gz RBTCSDWFKMWUBQ-UHFFFAOYSA-N 0 0 452.780 4.767 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001359932834 1064671502 /nfs/dbraw/zinc/67/15/02/1064671502.db2.gz GUEZGTQYVJWISB-GOSISDBHSA-N 0 0 458.010 4.626 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001435296108 1064672971 /nfs/dbraw/zinc/67/29/71/1064672971.db2.gz AQRNVKKESOZONH-HXUWFJFHSA-N 0 0 452.555 4.720 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001435297082 1064673000 /nfs/dbraw/zinc/67/30/00/1064673000.db2.gz KNCXDQNYMUOAEE-QVKFZJNVSA-N 0 0 457.361 4.661 20 0 JJADRN C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(-n2cccn2)c1 ZINC001435298005 1064673643 /nfs/dbraw/zinc/67/36/43/1064673643.db2.gz RRCPPOMQFKDDTI-INIZCTEOSA-N 0 0 452.967 4.981 20 0 JJADRN CC[C@@H](C(=O)Nc1ncc(I)cc1C)c1ccc(Br)cc1 ZINC001435299476 1064674331 /nfs/dbraw/zinc/67/43/31/1064674331.db2.gz AMVUFNGJTCKUMY-CQSZACIVSA-N 0 0 459.125 4.889 20 0 JJADRN CN(C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435298485 1064674417 /nfs/dbraw/zinc/67/44/17/1064674417.db2.gz XJBAAHWHWXWCQU-IBGZPJMESA-N 0 0 454.958 4.760 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001435299338 1064674485 /nfs/dbraw/zinc/67/44/85/1064674485.db2.gz IQQGHKYOLYIHFT-UHFFFAOYSA-N 0 0 457.500 4.653 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359933422 1064674564 /nfs/dbraw/zinc/67/45/64/1064674564.db2.gz RUWZDBFKCNECKI-GOSISDBHSA-N 0 0 477.053 4.748 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001435300212 1064675235 /nfs/dbraw/zinc/67/52/35/1064675235.db2.gz GTNWXYCISNXVBN-UHFFFAOYSA-N 0 0 459.209 4.764 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001359933638 1064675507 /nfs/dbraw/zinc/67/55/07/1064675507.db2.gz VIWUDQJBMFWERP-SFHVURJKSA-N 0 0 477.447 4.776 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001435300441 1064676044 /nfs/dbraw/zinc/67/60/44/1064676044.db2.gz MGSDXMKQENGNBP-IBGZPJMESA-N 0 0 454.368 4.622 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001359933775 1064676123 /nfs/dbraw/zinc/67/61/23/1064676123.db2.gz MSUNNLPNLQPQKO-UHFFFAOYSA-N 0 0 465.429 4.682 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001359933752 1064676187 /nfs/dbraw/zinc/67/61/87/1064676187.db2.gz XHWDFHMWQVIXQX-IBGZPJMESA-N 0 0 493.837 4.719 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC001435302309 1064676949 /nfs/dbraw/zinc/67/69/49/1064676949.db2.gz FHIINNZOCMOVSE-UZLBHIALSA-N 0 0 456.999 4.699 20 0 JJADRN Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1NC(=O)c1ccccc1F ZINC001435301457 1064676961 /nfs/dbraw/zinc/67/69/61/1064676961.db2.gz NAVZMSSZSICDEI-UHFFFAOYSA-N 0 0 451.445 4.834 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001359933906 1064677043 /nfs/dbraw/zinc/67/70/43/1064677043.db2.gz OKSIYKCWKCNGQC-UHFFFAOYSA-N 0 0 454.022 4.885 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359933926 1064677091 /nfs/dbraw/zinc/67/70/91/1064677091.db2.gz OYHYCODWZNLTSK-LBPRGKRZSA-N 0 0 453.328 4.583 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001359933986 1064677099 /nfs/dbraw/zinc/67/70/99/1064677099.db2.gz RIYOYBFXVGPSIG-MRXNPFEDSA-N 0 0 482.492 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001435302143 1064677763 /nfs/dbraw/zinc/67/77/63/1064677763.db2.gz QNHJMBFCDMAARW-KRWDZBQOSA-N 0 0 458.546 4.943 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC001435302355 1064677831 /nfs/dbraw/zinc/67/78/31/1064677831.db2.gz QOYDKDMNVOSMIN-SECBINFHSA-N 0 0 451.091 4.707 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001359934189 1064677797 /nfs/dbraw/zinc/67/77/97/1064677797.db2.gz ZDYTXHYRNVDQER-ZDUSSCGKSA-N 0 0 480.398 4.888 20 0 JJADRN Cc1c(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cccc1N1CCOC1=O ZINC001435304282 1064678389 /nfs/dbraw/zinc/67/83/89/1064678389.db2.gz WDVHGBBKPGQLRZ-UHFFFAOYSA-N 0 0 453.539 4.613 20 0 JJADRN CSc1ncc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)n1-c1ccc(F)cc1 ZINC001359934621 1064678697 /nfs/dbraw/zinc/67/86/97/1064678697.db2.gz ONNOSWMVJBEKQB-UHFFFAOYSA-N 0 0 450.543 4.864 20 0 JJADRN CCCN(C(=O)c1cc(NC(=O)OCC)ccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359935751 1064679410 /nfs/dbraw/zinc/67/94/10/1064679410.db2.gz LJKMMGIDSLFIQH-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC001435305611 1064680029 /nfs/dbraw/zinc/68/00/29/1064680029.db2.gz CGSHHUDNLQYOHF-CVDCTZTESA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(OC(C)C)CC1 ZINC001359937014 1064680096 /nfs/dbraw/zinc/68/00/96/1064680096.db2.gz KAMMREYPCYIDAQ-UHFFFAOYSA-N 0 0 466.630 4.676 20 0 JJADRN CCC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359936302 1064680139 /nfs/dbraw/zinc/68/01/39/1064680139.db2.gz UATYTHMSNZKKDE-HSZRJFAPSA-N 0 0 451.611 4.887 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001359937746 1064680976 /nfs/dbraw/zinc/68/09/76/1064680976.db2.gz CLIIYJWONINNQB-OAQYLSRUSA-N 0 0 485.677 4.556 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001359937911 1064681024 /nfs/dbraw/zinc/68/10/24/1064681024.db2.gz FLPKIKSTDAUCIJ-LEWJYISDSA-N 0 0 485.677 4.556 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359937522 1064681030 /nfs/dbraw/zinc/68/10/30/1064681030.db2.gz CHLILHLQEIWQNB-NRVHTZAHSA-N 0 0 462.638 4.626 20 0 JJADRN CC(C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359937247 1064681042 /nfs/dbraw/zinc/68/10/42/1064681042.db2.gz SJGFJLOLGTYOQN-SFHVURJKSA-N 0 0 452.603 4.966 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c1 ZINC001435307346 1064681047 /nfs/dbraw/zinc/68/10/47/1064681047.db2.gz RMWPWGBCXKAWLA-UHFFFAOYSA-N 0 0 456.909 4.569 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)c2ccc3ncc(I)n3c2)c1C ZINC001435307655 1064681386 /nfs/dbraw/zinc/68/13/86/1064681386.db2.gz NNYSOVFHUASQMI-GOSISDBHSA-N 0 0 459.331 4.923 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 ZINC001435307809 1064681399 /nfs/dbraw/zinc/68/13/99/1064681399.db2.gz IVVTUAQWESYQAU-ISKFKSNPSA-N 0 0 455.620 4.674 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(OCc2ccccc2)ccn1 ZINC001435308091 1064681558 /nfs/dbraw/zinc/68/15/58/1064681558.db2.gz UNVGVOSMCPZYHC-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938376 1064681536 /nfs/dbraw/zinc/68/15/36/1064681536.db2.gz MMYJMTACJJIAPT-KOSHJBKYSA-N 0 0 454.615 4.675 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C)c2cccnc2)n1-c1ccccc1 ZINC001359938595 1064682586 /nfs/dbraw/zinc/68/25/86/1064682586.db2.gz MMMWHEGNEHCDCR-UHFFFAOYSA-N 0 0 459.575 4.613 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939254 1064682613 /nfs/dbraw/zinc/68/26/13/1064682613.db2.gz VBRWYRIAMMUKHH-IFXJQAMLSA-N 0 0 451.489 4.990 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC001435308484 1064682562 /nfs/dbraw/zinc/68/25/62/1064682562.db2.gz CDRQGTWOLKDTRA-GOSISDBHSA-N 0 0 453.327 4.960 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC001435309252 1064683226 /nfs/dbraw/zinc/68/32/26/1064683226.db2.gz WFKHARZOLROJAP-PGRDOPGGSA-N 0 0 454.368 4.841 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCOc1ccc(C)c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939518 1064683280 /nfs/dbraw/zinc/68/32/80/1064683280.db2.gz YHHZWDSZOMQCPJ-AFMDSPMNSA-N 0 0 451.611 4.842 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(Br)cnc2OCC2CC2)cc1 ZINC001435308932 1064683376 /nfs/dbraw/zinc/68/33/76/1064683376.db2.gz RXHLMAQXYKQTRR-GHTZIAJQSA-N 0 0 459.384 4.839 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001435309291 1064683444 /nfs/dbraw/zinc/68/34/44/1064683444.db2.gz XEBGWTVUXUIOCK-CTNGQTDRSA-N 0 0 456.587 4.558 20 0 JJADRN CC(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001359940142 1064684010 /nfs/dbraw/zinc/68/40/10/1064684010.db2.gz GTZGALMNVRMWGT-UHFFFAOYSA-N 0 0 484.048 4.667 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC001435310080 1064684108 /nfs/dbraw/zinc/68/41/08/1064684108.db2.gz RUQBHOFBFIHIRQ-CVEARBPZSA-N 0 0 451.792 4.775 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001435309686 1064684172 /nfs/dbraw/zinc/68/41/72/1064684172.db2.gz NDFWMXZPPLJMGL-ZDUSSCGKSA-N 0 0 455.755 4.769 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)nnc1-c1ccccc1 ZINC001435310441 1064684228 /nfs/dbraw/zinc/68/42/28/1064684228.db2.gz XEZXWPMWQPRQFQ-CMKODMSKSA-N 0 0 454.596 4.837 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 ZINC001435309631 1064684302 /nfs/dbraw/zinc/68/43/02/1064684302.db2.gz MADNLTIEABCENO-GOSISDBHSA-N 0 0 458.986 4.580 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001359940516 1064684993 /nfs/dbraw/zinc/68/49/93/1064684993.db2.gz LIBSYFDXCBRMCF-YADHBBJMSA-N 0 0 469.630 4.627 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(F)c(F)cc2I)cc1 ZINC001435312076 1064685019 /nfs/dbraw/zinc/68/50/19/1064685019.db2.gz LAKLFNOTEPWCAR-UHFFFAOYSA-N 0 0 459.230 4.777 20 0 JJADRN CC(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359941146 1064685684 /nfs/dbraw/zinc/68/56/84/1064685684.db2.gz QQLPHMAJSSPTBS-SFHVURJKSA-N 0 0 461.601 4.570 20 0 JJADRN CC(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001359941624 1064685730 /nfs/dbraw/zinc/68/57/30/1064685730.db2.gz VIYNCUNBAMITJV-NRFANRHFSA-N 0 0 485.629 4.720 20 0 JJADRN Cc1cccc(C2(CNC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CCCC2)c1 ZINC001359940750 1064685762 /nfs/dbraw/zinc/68/57/62/1064685762.db2.gz JIJAIAAXBHWCOG-UHFFFAOYSA-N 0 0 454.636 4.802 20 0 JJADRN CC(C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001359941611 1064685821 /nfs/dbraw/zinc/68/58/21/1064685821.db2.gz UTMPQXZYEACCTE-UHFFFAOYSA-N 0 0 450.002 4.668 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1 ZINC001435313477 1064685812 /nfs/dbraw/zinc/68/58/12/1064685812.db2.gz PXUCMTXVBUVZNU-PWHSHALESA-N 0 0 458.624 4.876 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001359941691 1064686826 /nfs/dbraw/zinc/68/68/26/1064686826.db2.gz WKBZUJXCAXQCJS-FGZHOGPDSA-N 0 0 485.629 4.680 20 0 JJADRN CC(C)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1Br ZINC001359942855 1064687336 /nfs/dbraw/zinc/68/73/36/1064687336.db2.gz LHJCXZKOQQJRKW-UHFFFAOYSA-N 0 0 467.415 4.962 20 0 JJADRN CC(C)CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359943676 1064688417 /nfs/dbraw/zinc/68/84/17/1064688417.db2.gz DSWWTOAPJUBLMA-OAQYLSRUSA-N 0 0 471.646 4.687 20 0 JJADRN CC(C)CCn1c(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359944026 1064689037 /nfs/dbraw/zinc/68/90/37/1064689037.db2.gz MZMDXSDTADQVMJ-FNZWTVRRSA-N 0 0 485.629 4.519 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cn3ccc(Br)cc3n2)cc1 ZINC001435316542 1064689227 /nfs/dbraw/zinc/68/92/27/1064689227.db2.gz ITBQQWFYSGUVFH-CYBMUJFWSA-N 0 0 459.344 4.935 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](C)Oc3cccc(F)c3)[C@@H]2c2cccs2)cc1 ZINC001435316619 1064689243 /nfs/dbraw/zinc/68/92/43/1064689243.db2.gz RRHFQPXUORSSIP-QATBIIFWSA-N 0 0 452.551 4.874 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001359944190 1064689988 /nfs/dbraw/zinc/68/99/88/1064689988.db2.gz OYDYJGLLZNVWLB-PMACEKPBSA-N 0 0 469.413 4.594 20 0 JJADRN CC(C)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001359944064 1064690048 /nfs/dbraw/zinc/69/00/48/1064690048.db2.gz NTKOTJFTIQQFNM-GOSISDBHSA-N 0 0 456.566 4.933 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)cc1OC ZINC001435317998 1064690943 /nfs/dbraw/zinc/69/09/43/1064690943.db2.gz CEDUMOZXQCUBLT-CQSZACIVSA-N 0 0 457.933 4.532 20 0 JJADRN COc1cc(-c2cc(C(=O)N[C@@H](C)CC(C)(C)OC)c3ccccc3n2)cc(OC)c1OC ZINC001435318069 1064691013 /nfs/dbraw/zinc/69/10/13/1064691013.db2.gz GZHYXZUSUOQXHO-INIZCTEOSA-N 0 0 452.551 4.861 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359944594 1064691656 /nfs/dbraw/zinc/69/16/56/1064691656.db2.gz WTMRGIKLQOWCPW-XLIONFOSSA-N 0 0 478.037 4.906 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)c(=O)oc2c1 ZINC001435318886 1064691899 /nfs/dbraw/zinc/69/18/99/1064691899.db2.gz VOXCRQSMZFTEIF-UHFFFAOYSA-N 0 0 455.312 4.530 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2cc(Br)ccc2Br)cc1OC ZINC001435318309 1064691952 /nfs/dbraw/zinc/69/19/52/1064691952.db2.gz FKJIDVBMKWGMPN-NSHDSACASA-N 0 0 457.162 4.590 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c(C)c12 ZINC001435318355 1064692046 /nfs/dbraw/zinc/69/20/46/1064692046.db2.gz UEYMJBWLADLUOJ-HNNXBMFYSA-N 0 0 451.571 4.660 20 0 JJADRN Cc1cccc2cc(C(=O)N3CCN(C(=O)Cc4cccc(Cl)c4)[C@@H](C)C3)c(Cl)nc12 ZINC001435319380 1064692610 /nfs/dbraw/zinc/69/26/10/1064692610.db2.gz BJZXPSQQDPOFRG-INIZCTEOSA-N 0 0 456.373 4.766 20 0 JJADRN CCC(=O)N1CC[C@H](C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)C1 ZINC001359945359 1064693360 /nfs/dbraw/zinc/69/33/60/1064693360.db2.gz MIBBJVLBLDLJEW-HNNXBMFYSA-N 0 0 451.514 4.827 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)ccc1N1CCCC1 ZINC001359945781 1064693550 /nfs/dbraw/zinc/69/35/50/1064693550.db2.gz AQASIESWBGTBNC-OALUTQOASA-N 0 0 455.624 4.514 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2c(Br)cccc2Br)cc1OC ZINC001435319781 1064693745 /nfs/dbraw/zinc/69/37/45/1064693745.db2.gz SLZARUZEUSDYIP-LLVKDONJSA-N 0 0 457.162 4.590 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC001359946709 1064693975 /nfs/dbraw/zinc/69/39/75/1064693975.db2.gz OIJSKIJXRWOOLT-XMMPIXPASA-N 0 0 450.627 4.813 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC001359946837 1064695035 /nfs/dbraw/zinc/69/50/35/1064695035.db2.gz QSEVEZMXHXFBJD-OAQYLSRUSA-N 0 0 458.400 4.641 20 0 JJADRN Cc1cccc(OCCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435320493 1064695063 /nfs/dbraw/zinc/69/50/63/1064695063.db2.gz RZVHSWUAKUGYFJ-XMMPIXPASA-N 0 0 457.979 4.727 20 0 JJADRN Cc1ccn(C[C@@H](C)C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC001359946771 1064695098 /nfs/dbraw/zinc/69/50/98/1064695098.db2.gz OWQWSDZARUYYRM-YKSBVNFPSA-N 0 0 451.615 4.543 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320564 1064695175 /nfs/dbraw/zinc/69/51/75/1064695175.db2.gz WKTHRGFEDYYZIA-ONGXBYRLSA-N 0 0 475.814 4.508 20 0 JJADRN COC(=O)c1cnc(C(=O)Oc2ccc(Sc3ccnc4cc(Cl)ccc43)cc2)cn1 ZINC001435321929 1064695782 /nfs/dbraw/zinc/69/57/82/1064695782.db2.gz AKWIEDFUBQMEEA-UHFFFAOYSA-N 0 0 451.891 4.835 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)c1ccccc1C ZINC001435322480 1064695845 /nfs/dbraw/zinc/69/58/45/1064695845.db2.gz FPBMVWGQJPXBFX-IBGZPJMESA-N 0 0 457.324 4.837 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435322121 1064695983 /nfs/dbraw/zinc/69/59/83/1064695983.db2.gz JOTFKNPMPKECQM-LJQANCHMSA-N 0 0 450.966 4.835 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1OC ZINC001435322941 1064695999 /nfs/dbraw/zinc/69/59/99/1064695999.db2.gz GUFHVHDZUNULAS-DEOSSOPVSA-N 0 0 450.560 4.530 20 0 JJADRN CC(C)CCn1c(N2CCC(OCc3ccccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359947442 1064696442 /nfs/dbraw/zinc/69/64/42/1064696442.db2.gz LTQMIMLJQKDZID-AREMUKBSSA-N 0 0 474.621 4.690 20 0 JJADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001359947451 1064696512 /nfs/dbraw/zinc/69/65/12/1064696512.db2.gz LYHWBMFABOQDJW-CEXWTWQISA-N 0 0 451.681 4.673 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1 ZINC001435324925 1064697355 /nfs/dbraw/zinc/69/73/55/1064697355.db2.gz PAJHVKFEDSMAAG-UHFFFAOYSA-N 0 0 453.699 4.862 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]3SCCc4ccccc43)[nH]c(=O)c2c1C ZINC001435325455 1064697831 /nfs/dbraw/zinc/69/78/31/1064697831.db2.gz PTXZRWVKUUKIGB-PBHICJAKSA-N 0 0 459.662 4.782 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cnc(N(C)C)c(Cl)c2)cc1OC ZINC001435325124 1064697839 /nfs/dbraw/zinc/69/78/39/1064697839.db2.gz OVLXKDPQSSICIV-UHFFFAOYSA-N 0 0 459.999 4.765 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)n2)CCCCCC1 ZINC001435326119 1064698839 /nfs/dbraw/zinc/69/88/39/1064698839.db2.gz XYGYELHJMWWPAY-UHFFFAOYSA-N 0 0 454.571 4.555 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)c1 ZINC001435326780 1064699267 /nfs/dbraw/zinc/69/92/67/1064699267.db2.gz YICNVFNVMBQPME-UHFFFAOYSA-N 0 0 457.250 4.789 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC001435326818 1064699426 /nfs/dbraw/zinc/69/94/26/1064699426.db2.gz YXQPRUKIWYZWCK-CYBMUJFWSA-N 0 0 458.349 4.566 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(C3CC3)cnc2Cl)c2ccc(F)cc2)c1 ZINC001435328880 1064700253 /nfs/dbraw/zinc/70/02/53/1064700253.db2.gz OAMFHEBYGZFVSP-NRFANRHFSA-N 0 0 458.942 4.674 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)N1CCN(C)c2ccc(F)cc21)C1CCCCC1 ZINC001435328891 1064700282 /nfs/dbraw/zinc/70/02/82/1064700282.db2.gz MZGXKYLHHGTVQV-UHFFFAOYSA-N 0 0 455.599 4.806 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001435328852 1064700347 /nfs/dbraw/zinc/70/03/47/1064700347.db2.gz NKLHXTHTTCCLKB-AHWVRZQESA-N 0 0 456.586 4.833 20 0 JJADRN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001359948629 1064700589 /nfs/dbraw/zinc/70/05/89/1064700589.db2.gz WXQWPVKYCQMBAK-DNQXCXABSA-N 0 0 497.684 4.948 20 0 JJADRN C[C@H](N1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1)C(F)(F)F ZINC001435330082 1064701113 /nfs/dbraw/zinc/70/11/13/1064701113.db2.gz JZQQAGZDSIPRLY-JTQLQIEISA-N 0 0 453.349 4.948 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc2)c1 ZINC001435330538 1064701676 /nfs/dbraw/zinc/70/16/76/1064701676.db2.gz PROOTYBGVLFSPV-FQEVSTJZSA-N 0 0 451.441 4.767 20 0 JJADRN C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330252 1064701832 /nfs/dbraw/zinc/70/18/32/1064701832.db2.gz UPGKCEHLHAWDMO-OSPHWJPCSA-N 0 0 457.542 4.843 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330429 1064701892 /nfs/dbraw/zinc/70/18/92/1064701892.db2.gz WKTFDVUYQSFWLI-ZEQRLZLVSA-N 0 0 455.551 4.601 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330428 1064701905 /nfs/dbraw/zinc/70/19/05/1064701905.db2.gz WKTFDVUYQSFWLI-RPWUZVMVSA-N 0 0 455.551 4.601 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001359949906 1064702757 /nfs/dbraw/zinc/70/27/57/1064702757.db2.gz YQTSQEMUVUGIKP-HXUWFJFHSA-N 0 0 453.542 4.738 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)NCC3(C(=O)Nc4ccc(C)c(C)c4)CCCC3)c2n1 ZINC001435331424 1064702750 /nfs/dbraw/zinc/70/27/50/1064702750.db2.gz XRLSRWIOZHWJMO-UHFFFAOYSA-N 0 0 455.509 4.521 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)[C@H]2CCCO[C@@H]21 ZINC001435331614 1064703126 /nfs/dbraw/zinc/70/31/26/1064703126.db2.gz GCLKPICDVXBYCR-AQNXPRMDSA-N 0 0 457.368 4.635 20 0 JJADRN CN(C(=O)c1nc(Br)sc1C1CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435331804 1064703719 /nfs/dbraw/zinc/70/37/19/1064703719.db2.gz GEKRQAPHENBIPG-UHFFFAOYSA-N 0 0 458.422 4.691 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC3CCOCC3)n2C[C@]2(C)CCCO2)cc1 ZINC001359950107 1064703720 /nfs/dbraw/zinc/70/37/20/1064703720.db2.gz FBAOAKAAUQSXBQ-SANMLTNESA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[C@@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359950119 1064703873 /nfs/dbraw/zinc/70/38/73/1064703873.db2.gz FDBIDCFAJKOTMY-UNMCSNQZSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H]2CCCCO2)cc1 ZINC001359950293 1064704197 /nfs/dbraw/zinc/70/41/97/1064704197.db2.gz GXQVOEJLVPCXGE-OAQYLSRUSA-N 0 0 487.048 4.962 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc(Cl)cc3Br)ccc2NC1=O ZINC001435332579 1064704681 /nfs/dbraw/zinc/70/46/81/1064704681.db2.gz KYSUXNIYQPZAMV-GTNSWQLSSA-N 0 0 451.748 4.632 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc(Cl)cc3Br)ccc2NC1=O ZINC001435332578 1064704715 /nfs/dbraw/zinc/70/47/15/1064704715.db2.gz KYSUXNIYQPZAMV-DIFFPNOSSA-N 0 0 451.748 4.632 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001435332649 1064704824 /nfs/dbraw/zinc/70/48/24/1064704824.db2.gz KXRDSAKCSDIMPB-DEOSSOPVSA-N 0 0 455.601 4.637 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NC(C)(C)Cc2cccc(Br)c2)c1 ZINC001435333718 1064705848 /nfs/dbraw/zinc/70/58/48/1064705848.db2.gz RMEMBJXGAJNVOK-UHFFFAOYSA-N 0 0 456.377 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC2CCCCC2)cc1 ZINC001359950711 1064706617 /nfs/dbraw/zinc/70/66/17/1064706617.db2.gz NAVVOMPCQPBQAS-FQEVSTJZSA-N 0 0 453.631 4.617 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1cccc(N2CCOC2=O)c1)C(F)(F)F ZINC001435337190 1064708109 /nfs/dbraw/zinc/70/81/09/1064708109.db2.gz ZCIHCPRAECVSJM-HXUWFJFHSA-N 0 0 459.424 4.906 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)s2)cc1OC ZINC001435337009 1064708135 /nfs/dbraw/zinc/70/81/35/1064708135.db2.gz PYNVSPFSQAIEHS-UHFFFAOYSA-N 0 0 454.548 4.964 20 0 JJADRN CCC(CC)(CNC(=O)CCOc1cccc(I)c1)c1ccccc1 ZINC001435337767 1064708573 /nfs/dbraw/zinc/70/85/73/1064708573.db2.gz UZKFMFOLNXYGDA-UHFFFAOYSA-N 0 0 451.348 4.934 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)ccc1C(F)(F)F ZINC001435338667 1064708670 /nfs/dbraw/zinc/70/86/70/1064708670.db2.gz FMVSBRWLIRBBIY-HUUCEWRRSA-N 0 0 454.514 4.933 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2Cc2cccs2)cc1 ZINC001359951283 1064709354 /nfs/dbraw/zinc/70/93/54/1064709354.db2.gz UVWLOGLJFNYPJL-UHFFFAOYSA-N 0 0 450.612 4.850 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC2(CC(C)C)CC2)cc1 ZINC001359951538 1064709794 /nfs/dbraw/zinc/70/97/94/1064709794.db2.gz YPQQLJMFCFPUID-NRFANRHFSA-N 0 0 467.658 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001359951484 1064709853 /nfs/dbraw/zinc/70/98/53/1064709853.db2.gz XJYKIHMMABVFQY-IPJJNNNSSA-N 0 0 485.698 4.615 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001359951651 1064710150 /nfs/dbraw/zinc/71/01/50/1064710150.db2.gz AVZDGPMXUIMSAR-HFZDXXHNSA-N 0 0 456.631 4.802 20 0 JJADRN CCCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435341369 1064710547 /nfs/dbraw/zinc/71/05/47/1064710547.db2.gz WGRITEVPWLYBSQ-PWRODBHTSA-N 0 0 454.652 4.671 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCNC(=O)c2cc(F)ccc2Br)o1 ZINC001435341826 1064710560 /nfs/dbraw/zinc/71/05/60/1064710560.db2.gz LIYJITMLQJKWGM-ACJLOTCBSA-N 0 0 451.336 4.609 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(C)cc4)C3=O)c(F)c2)c(F)c1 ZINC001435341885 1064711013 /nfs/dbraw/zinc/71/10/13/1064711013.db2.gz LOTMYJMZYQLISK-DEOSSOPVSA-N 0 0 450.485 4.874 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCN1C(=O)OC(C)(C)C ZINC001435342163 1064711174 /nfs/dbraw/zinc/71/11/74/1064711174.db2.gz CFTBFYZTWGFVEI-JKSUJKDBSA-N 0 0 450.992 4.756 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001359951794 1064711137 /nfs/dbraw/zinc/71/11/37/1064711137.db2.gz FYBUAOZUWKTZAD-HHHXNRCGSA-N 0 0 499.656 4.512 20 0 JJADRN CO[C@@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc(Br)s1 ZINC001435342522 1064711563 /nfs/dbraw/zinc/71/15/63/1064711563.db2.gz HLJBHVRPSIPYKU-CQSZACIVSA-N 0 0 458.790 4.933 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001435342691 1064711597 /nfs/dbraw/zinc/71/15/97/1064711597.db2.gz MXGBXDXGJMHBBW-AZUAARDMSA-N 0 0 451.592 4.913 20 0 JJADRN C[C@@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC001435343051 1064711661 /nfs/dbraw/zinc/71/16/61/1064711661.db2.gz NNPZCYVETVBOER-HSZRJFAPSA-N 0 0 454.983 4.663 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c1 ZINC001435342693 1064711691 /nfs/dbraw/zinc/71/16/91/1064711691.db2.gz MXGBXDXGJMHBBW-QUCCMNQESA-N 0 0 451.592 4.913 20 0 JJADRN O=C(CCC(=O)N1CCOc2ccccc21)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001435343555 1064712214 /nfs/dbraw/zinc/71/22/14/1064712214.db2.gz FMDYXEINDGMFHT-UHFFFAOYSA-N 0 0 457.246 4.612 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1c(C)cccc1Cl ZINC001435343843 1064712396 /nfs/dbraw/zinc/71/23/96/1064712396.db2.gz BTOOKGMCTZHAMT-UHFFFAOYSA-N 0 0 456.951 4.661 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC2CCOCC2)cc1 ZINC001359951954 1064712292 /nfs/dbraw/zinc/71/22/92/1064712292.db2.gz KDQPYELSYSGAHW-OAQYLSRUSA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@]2(C)CCCS2)cc1 ZINC001359952067 1064712892 /nfs/dbraw/zinc/71/28/92/1064712892.db2.gz MECQHMYPEJYVBE-RXFWQSSRSA-N 0 0 485.698 4.748 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001359952040 1064712902 /nfs/dbraw/zinc/71/29/02/1064712902.db2.gz LVCRNIBZZMUEKM-NOZRDPDXSA-N 0 0 483.701 4.963 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@]2(O)CCOC2)cc1 ZINC001359952087 1064713270 /nfs/dbraw/zinc/71/32/70/1064713270.db2.gz MNPGTIRIIDUJKD-XMMPIXPASA-N 0 0 496.574 4.690 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1NC(=O)c1ccco1 ZINC001435346210 1064713980 /nfs/dbraw/zinc/71/39/80/1064713980.db2.gz MALNVPDVBNSGRG-HNNXBMFYSA-N 0 0 457.324 4.800 20 0 JJADRN Cc1nsc(N2CCCN(C(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)n1 ZINC001435345875 1064714096 /nfs/dbraw/zinc/71/40/96/1064714096.db2.gz KFVPAYKVOLFZPL-RCCKNPSSSA-N 0 0 456.974 4.919 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCOC(C)C)cc1 ZINC001359952165 1064714071 /nfs/dbraw/zinc/71/40/71/1064714071.db2.gz OEQRTMXTTUYSHG-VWNXMTODSA-N 0 0 456.631 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C4CC4)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359952409 1064714956 /nfs/dbraw/zinc/71/49/56/1064714956.db2.gz VIYAWGWCDJWBLH-QFIPXVFZSA-N 0 0 488.698 4.820 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1 ZINC001435348000 1064715157 /nfs/dbraw/zinc/71/51/57/1064715157.db2.gz BRWZILKVTUHMFB-KRWDZBQOSA-N 0 0 456.502 4.513 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCCC2 ZINC001435348322 1064715194 /nfs/dbraw/zinc/71/51/94/1064715194.db2.gz FDYIIYSKBMMYOA-URXJJBOYSA-N 0 0 454.567 4.746 20 0 JJADRN C[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)Oc1cccc(Br)c1 ZINC001435348432 1064715208 /nfs/dbraw/zinc/71/52/08/1064715208.db2.gz WOJMFAQUQJHIIH-BTCOZLQPSA-N 0 0 481.431 4.902 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H]2COCCO2)cc1 ZINC001359952512 1064715719 /nfs/dbraw/zinc/71/57/19/1064715719.db2.gz XIGHPGZVLMJUAN-REWPJTCUSA-N 0 0 456.631 4.658 20 0 JJADRN CCc1nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)cc2nc1CC ZINC001359953797 1064717403 /nfs/dbraw/zinc/71/74/03/1064717403.db2.gz VYPIQOAJZDHIBA-SANMLTNESA-N 0 0 452.558 4.734 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c2ccccc2n1 ZINC001435351660 1064717756 /nfs/dbraw/zinc/71/77/56/1064717756.db2.gz YUEKIBKAWFKBHE-FYYLOGMGSA-N 0 0 475.589 4.585 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)COC2)CC1 ZINC001359953979 1064717870 /nfs/dbraw/zinc/71/78/70/1064717870.db2.gz BFGNYOBPNKDFGP-UHFFFAOYSA-N 0 0 483.476 4.837 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001359954150 1064718589 /nfs/dbraw/zinc/71/85/89/1064718589.db2.gz DLNUAOOOMWXYFM-UHFFFAOYSA-N 0 0 463.626 4.647 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@](C)(O)C(C)C)cc1 ZINC001359954260 1064718824 /nfs/dbraw/zinc/71/88/24/1064718824.db2.gz DEJLFNUCPIBYBF-IBVKSMDESA-N 0 0 458.647 4.781 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)CC1 ZINC001359954204 1064718977 /nfs/dbraw/zinc/71/89/77/1064718977.db2.gz GPAMHGIMYZCJNL-UHFFFAOYSA-N 0 0 483.016 4.659 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC001435355387 1064720163 /nfs/dbraw/zinc/72/01/63/1064720163.db2.gz ANXVPRWUTFCKRE-IBGZPJMESA-N 0 0 451.592 4.784 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001359954447 1064720107 /nfs/dbraw/zinc/72/01/07/1064720107.db2.gz JXEFWZUHMAWYJP-UHFFFAOYSA-N 0 0 470.662 4.749 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001359954538 1064720432 /nfs/dbraw/zinc/72/04/32/1064720432.db2.gz KSTJGJHISXCXEQ-SANMLTNESA-N 0 0 457.663 4.646 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCC(C)C)cc1 ZINC001359954509 1064720462 /nfs/dbraw/zinc/72/04/62/1064720462.db2.gz IMSDWLZBZOZSGL-UHFFFAOYSA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)[C@@H](C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1)n1nnc(-c2ccccc2)n1 ZINC001435355838 1064720509 /nfs/dbraw/zinc/72/05/09/1064720509.db2.gz FMVWEWYALXDTOF-FQEVSTJZSA-N 0 0 451.527 4.514 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(F)(F)F)CC1 ZINC001359954731 1064720616 /nfs/dbraw/zinc/72/06/16/1064720616.db2.gz OFJGQDFITWHDKA-UHFFFAOYSA-N 0 0 462.520 4.929 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001359954621 1064720628 /nfs/dbraw/zinc/72/06/28/1064720628.db2.gz NZEJXOYJVHLJDY-HSZRJFAPSA-N 0 0 497.728 4.995 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001359954683 1064721111 /nfs/dbraw/zinc/72/11/11/1064721111.db2.gz KLEKJHJDAYQDSY-RZUBCFFCSA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001435357381 1064721441 /nfs/dbraw/zinc/72/14/41/1064721441.db2.gz QOAHYBFLVWZISE-NRFANRHFSA-N 0 0 454.567 4.567 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC(c3ccccc3)C2)CC1 ZINC001359954750 1064721660 /nfs/dbraw/zinc/72/16/60/1064721660.db2.gz OWUASIJBDCKFGR-UHFFFAOYSA-N 0 0 467.658 4.642 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)n2)c1 ZINC001435357287 1064721596 /nfs/dbraw/zinc/72/15/96/1064721596.db2.gz OVYXWCQEALHISY-CYBMUJFWSA-N 0 0 452.417 4.702 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)n2)c1 ZINC001435357666 1064722256 /nfs/dbraw/zinc/72/22/56/1064722256.db2.gz LZIDMUSDFVSUAG-CQSZACIVSA-N 0 0 456.930 4.996 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)cc1 ZINC001359954887 1064722242 /nfs/dbraw/zinc/72/22/42/1064722242.db2.gz MZJPFPLCUXRUFQ-RBBKRZOGSA-N 0 0 499.656 4.510 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C(C)(C)C)CC1 ZINC001359954990 1064722690 /nfs/dbraw/zinc/72/26/90/1064722690.db2.gz SYVWCBCOXMRMFE-UHFFFAOYSA-N 0 0 476.065 4.792 20 0 JJADRN C[C@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1nc(-c2cccc(F)c2)no1 ZINC001435358470 1064722804 /nfs/dbraw/zinc/72/28/04/1064722804.db2.gz WBYCFQPOIUGGFS-VIFPVBQESA-N 0 0 456.218 4.731 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001359955099 1064723164 /nfs/dbraw/zinc/72/31/64/1064723164.db2.gz VXZHAICRXDIBOX-GOSISDBHSA-N 0 0 491.562 4.731 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359955132 1064723224 /nfs/dbraw/zinc/72/32/24/1064723224.db2.gz QOWKYWQMKSDEDQ-IBGZPJMESA-N 0 0 494.727 4.525 20 0 JJADRN O=C(N1CCS[C@@H]2CCCC[C@@H]21)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435359871 1064723772 /nfs/dbraw/zinc/72/37/72/1064723772.db2.gz HLBMTMCXKRUJOT-RBUKOAKNSA-N 0 0 456.421 4.814 20 0 JJADRN O=C(N1CCS[C@H]2CCCC[C@H]21)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001435359866 1064723803 /nfs/dbraw/zinc/72/38/03/1064723803.db2.gz HLBMTMCXKRUJOT-MOPGFXCFSA-N 0 0 456.421 4.814 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[C@H]2CCOC2)cc1 ZINC001359955245 1064723958 /nfs/dbraw/zinc/72/39/58/1064723958.db2.gz SHCZENYOUPNJCI-GHTZIAJQSA-N 0 0 482.547 4.564 20 0 JJADRN O=C(NCCOCc1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001435362754 1064724581 /nfs/dbraw/zinc/72/45/81/1064724581.db2.gz SBTDWZOYAZIECD-UHFFFAOYSA-N 0 0 454.452 4.628 20 0 JJADRN O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001359956542 1064724938 /nfs/dbraw/zinc/72/49/38/1064724938.db2.gz UAFSGAAXCCBCID-UHFFFAOYSA-N 0 0 459.443 4.975 20 0 JJADRN CSCC[C@H](C(=O)O[C@H](C)c1ccc(OCC(C)C)cc1)N1C(=O)c2ccccc2C1=O ZINC001435364184 1064725023 /nfs/dbraw/zinc/72/50/23/1064725023.db2.gz XZCPAXZNTBSMHI-VGOFRKELSA-N 0 0 455.576 4.744 20 0 JJADRN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001435364317 1064725099 /nfs/dbraw/zinc/72/50/99/1064725099.db2.gz XENZNEJOIZMUCN-GPZRYRNASA-N 0 0 453.535 4.981 20 0 JJADRN COC(=O)CCc1ccc(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)cc1 ZINC001359956800 1064725300 /nfs/dbraw/zinc/72/53/00/1064725300.db2.gz ZPRROKMETQDCBL-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)Cc3cccc(Cl)c3Cl)CCCC2)cc1OC ZINC001435367148 1064726662 /nfs/dbraw/zinc/72/66/62/1064726662.db2.gz TUDCMAKHBDOULF-UHFFFAOYSA-N 0 0 451.350 4.621 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C3CCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001359958083 1064726847 /nfs/dbraw/zinc/72/68/47/1064726847.db2.gz MBCDBIVFCBQCCA-UHFFFAOYSA-N 0 0 468.646 4.719 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001359958086 1064727005 /nfs/dbraw/zinc/72/70/05/1064727005.db2.gz MDKDQVXSFGYPDM-OZXSUGGESA-N 0 0 469.674 4.747 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccccc1 ZINC001435369163 1064727572 /nfs/dbraw/zinc/72/75/72/1064727572.db2.gz IFDKTHICSVUGRW-OAHLLOKOSA-N 0 0 453.739 4.666 20 0 JJADRN CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c2cc(Cl)ccc21 ZINC001435370142 1064727618 /nfs/dbraw/zinc/72/76/18/1064727618.db2.gz YSJWIMUKCTXKKK-UHFFFAOYSA-N 0 0 453.391 4.563 20 0 JJADRN CCc1c(C(=O)N2CCN(C)c3ccc(Cl)cc32)cnn1-c1ccc(Br)cc1 ZINC001435369599 1064727731 /nfs/dbraw/zinc/72/77/31/1064727731.db2.gz VYQLUOPZQNQRST-UHFFFAOYSA-N 0 0 459.775 4.947 20 0 JJADRN CN1CCN(C(=O)Cc2ccc(Br)c(Br)c2)c2cc(Cl)ccc21 ZINC001435371605 1064728134 /nfs/dbraw/zinc/72/81/34/1064728134.db2.gz STZDQAPRJBOHQQ-UHFFFAOYSA-N 0 0 458.581 4.891 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001359958466 1064728233 /nfs/dbraw/zinc/72/82/33/1064728233.db2.gz XBENZCZCWSFPDD-QHCPKHFHSA-N 0 0 458.622 4.855 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(C)C ZINC001435372232 1064728303 /nfs/dbraw/zinc/72/83/03/1064728303.db2.gz VHPLKMGWFPOEBM-GOSISDBHSA-N 0 0 451.350 4.572 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001359958546 1064728501 /nfs/dbraw/zinc/72/85/01/1064728501.db2.gz ZJBUMRRCPRZMKA-ZEQKJWHPSA-N 0 0 462.679 4.883 20 0 JJADRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001435372445 1064728383 /nfs/dbraw/zinc/72/83/83/1064728383.db2.gz JZFGYYKYKXEIJY-DEOSSOPVSA-N 0 0 454.636 4.695 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001359958702 1064729114 /nfs/dbraw/zinc/72/91/14/1064729114.db2.gz FFPDQGDHFGDTBK-HXUWFJFHSA-N 0 0 476.000 4.660 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001359958762 1064729235 /nfs/dbraw/zinc/72/92/35/1064729235.db2.gz GZOIJGXYTOXLKA-UHFFFAOYSA-N 0 0 472.037 4.564 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001435375811 1064729796 /nfs/dbraw/zinc/72/97/96/1064729796.db2.gz DNAINYKIQRIANY-RRPNLBNLSA-N 0 0 456.586 4.798 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(F)cc(Br)c1F ZINC001435377057 1064730242 /nfs/dbraw/zinc/73/02/42/1064730242.db2.gz SDHWPAUBZBIMTM-UHFFFAOYSA-N 0 0 457.278 4.967 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC3CCCC3)n2Cc2ncccc2N(C)C)CC1 ZINC001359958971 1064730267 /nfs/dbraw/zinc/73/02/67/1064730267.db2.gz MTEPSJJWNIHWPK-UHFFFAOYSA-N 0 0 454.663 4.552 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@H]2C)CC1 ZINC001359958949 1064730396 /nfs/dbraw/zinc/73/03/96/1064730396.db2.gz MIJDCTFXHLKMFB-GIVPXCGWSA-N 0 0 461.651 4.963 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001359959234 1064731177 /nfs/dbraw/zinc/73/11/77/1064731177.db2.gz VRTFFZGUAUUQQV-ILBGXUMGSA-N 0 0 498.716 4.738 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001359959237 1064731277 /nfs/dbraw/zinc/73/12/77/1064731277.db2.gz VSYXIZLLAUCWMH-SBHAEUEKSA-N 0 0 460.688 4.791 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001359959223 1064731330 /nfs/dbraw/zinc/73/13/30/1064731330.db2.gz VJLLKVVFCFYFOI-HZPDHXFCSA-N 0 0 470.481 4.819 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001435382300 1064731852 /nfs/dbraw/zinc/73/18/52/1064731852.db2.gz BKJSJORXDJJFOW-SANMLTNESA-N 0 0 450.276 4.874 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCO2)CC1 ZINC001359959350 1064731836 /nfs/dbraw/zinc/73/18/36/1064731836.db2.gz YQMMOMBABZFRFR-JOCHJYFZSA-N 0 0 463.022 4.721 20 0 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KVYCNZWFTLYGCC-UHFFFAOYSA-N 0 0 450.720 4.902 20 0 JJADRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001435386803 1064734290 /nfs/dbraw/zinc/73/42/90/1064734290.db2.gz PEXZYRKFSARBIV-UHFFFAOYSA-N 0 0 456.337 4.725 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)OCc2ccc(Cl)cc2Cl)C1 ZINC001435386976 1064735046 /nfs/dbraw/zinc/73/50/46/1064735046.db2.gz OJGGNUXPCHCUJX-XMSQKQJNSA-N 0 0 452.334 4.853 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 ZINC001359961973 1064735363 /nfs/dbraw/zinc/73/53/63/1064735363.db2.gz JUYSBSWIXYXJET-JOCHJYFZSA-N 0 0 493.693 4.810 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001359962947 1064735787 /nfs/dbraw/zinc/73/57/87/1064735787.db2.gz QBOHVGGTNGBUEM-UHFFFAOYSA-N 0 0 452.399 4.708 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359962424 1064735940 /nfs/dbraw/zinc/73/59/40/1064735940.db2.gz XQWFGPATCPRBIJ-YPAWHYETSA-N 0 0 464.695 4.901 20 0 JJADRN 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CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001435398051 1064739197 /nfs/dbraw/zinc/73/91/97/1064739197.db2.gz OSALRYFFHVGWCR-UZLBHIALSA-N 0 0 454.876 4.684 20 0 JJADRN CC(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001359964717 1064739545 /nfs/dbraw/zinc/73/95/45/1064739545.db2.gz DMRGZXPZYVHCJG-HXUWFJFHSA-N 0 0 476.547 4.972 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001359965098 1064739905 /nfs/dbraw/zinc/73/99/05/1064739905.db2.gz QKDZIJQIJXMKLR-MOPGFXCFSA-N 0 0 455.628 4.993 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccn1 ZINC001359965175 1064740464 /nfs/dbraw/zinc/74/04/64/1064740464.db2.gz TVOSDYRGMMVZPW-UHFFFAOYSA-N 0 0 458.404 4.802 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001359965245 1064740523 /nfs/dbraw/zinc/74/05/23/1064740523.db2.gz VXTSMVLZXAZHLW-UHFFFAOYSA-N 0 0 488.057 4.685 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001359965307 1064741083 /nfs/dbraw/zinc/74/10/83/1064741083.db2.gz XUOLJBKLJUDKMW-HXUWFJFHSA-N 0 0 484.595 4.564 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359966399 1064741635 /nfs/dbraw/zinc/74/16/35/1064741635.db2.gz TVIXNOAWVXAFMU-ZDUSSCGKSA-N 0 0 456.153 4.668 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359966398 1064741652 /nfs/dbraw/zinc/74/16/52/1064741652.db2.gz TVIXNOAWVXAFMU-CYBMUJFWSA-N 0 0 456.153 4.668 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001359966754 1064741978 /nfs/dbraw/zinc/74/19/78/1064741978.db2.gz DPOCABYBOLGGOT-BJKOFHAPSA-N 0 0 474.621 4.672 20 0 JJADRN C[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)c1ccc(-c2ccncc2)cc1 ZINC001435405216 1064742154 /nfs/dbraw/zinc/74/21/54/1064742154.db2.gz QLCRBWBKIMVZJI-HNNXBMFYSA-N 0 0 456.514 4.702 20 0 JJADRN CC(C)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001359967292 1064742213 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ZINC001435413786 1064745455 /nfs/dbraw/zinc/74/54/55/1064745455.db2.gz OKYGPWPGJVYGFE-UHFFFAOYSA-N 0 0 451.789 4.704 20 0 JJADRN CCn1c(SCC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC001435414212 1064745546 /nfs/dbraw/zinc/74/55/46/1064745546.db2.gz SVUDKYGQUGQVPR-AWEZNQCLSA-N 0 0 452.502 4.979 20 0 JJADRN CC(C)CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001359970219 1064745845 /nfs/dbraw/zinc/74/58/45/1064745845.db2.gz KGWVNKGJQWQYJU-NCYKPQTJSA-N 0 0 463.667 4.594 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359970091 1064746021 /nfs/dbraw/zinc/74/60/21/1064746021.db2.gz GEXHPUKKIMGOTI-SFTDATJTSA-N 0 0 493.693 4.664 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)COCc1ccccc1 ZINC001359971489 1064748004 /nfs/dbraw/zinc/74/80/04/1064748004.db2.gz XTYRSWBGSUMOBR-QGZVFWFLSA-N 0 0 460.420 4.981 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N(C)C1CCCCC1 ZINC001359971368 1064748098 /nfs/dbraw/zinc/74/80/98/1064748098.db2.gz UYYGQQFDUAWEHZ-UHFFFAOYSA-N 0 0 480.426 4.730 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC001435418877 1064748192 /nfs/dbraw/zinc/74/81/92/1064748192.db2.gz CIKOKIDTKULTBA-NOZRDPDXSA-N 0 0 456.627 4.631 20 0 JJADRN CN1CCOc2ccc(NC(=O)Cc3csc(-c4sccc4Br)n3)cc21 ZINC001435419309 1064748232 /nfs/dbraw/zinc/74/82/32/1064748232.db2.gz KSNUSEQYSCTNSG-UHFFFAOYSA-N 0 0 450.383 4.644 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H](C)c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)cc1 ZINC001435419115 1064748255 /nfs/dbraw/zinc/74/82/55/1064748255.db2.gz HRCCYMKVMODVNH-GOSISDBHSA-N 0 0 458.530 4.736 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCCC1(C)C ZINC001359971422 1064748203 /nfs/dbraw/zinc/74/82/03/1064748203.db2.gz VZCXAKBWHBAUKS-NRFANRHFSA-N 0 0 453.400 4.880 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359971449 1064748226 /nfs/dbraw/zinc/74/82/26/1064748226.db2.gz WSHDPFASVCNIFQ-MRXNPFEDSA-N 0 0 467.561 4.894 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(I)ccc1F ZINC001359972143 1064748745 /nfs/dbraw/zinc/74/87/45/1064748745.db2.gz IDOXBVXOUZXBLR-JTQLQIEISA-N 0 0 451.201 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)o2)CC1 ZINC001435420244 1064748627 /nfs/dbraw/zinc/74/86/27/1064748627.db2.gz WKBIRQAKPBGXLF-GOEBONIOSA-N 0 0 459.509 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)o2)CC1 ZINC001435420240 1064748791 /nfs/dbraw/zinc/74/87/91/1064748791.db2.gz WKBIRQAKPBGXLF-GDBMZVCRSA-N 0 0 459.509 4.888 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)nc21 ZINC001359972124 1064748812 /nfs/dbraw/zinc/74/88/12/1064748812.db2.gz PESRDZFLNFGUDT-VIFPVBQESA-N 0 0 454.310 4.742 20 0 JJADRN C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC001435420891 1064749232 /nfs/dbraw/zinc/74/92/32/1064749232.db2.gz AKLUZNWDXSZWCU-DXPJPUQTSA-N 0 0 452.526 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ZINC001435428349 1064751689 /nfs/dbraw/zinc/75/16/89/1064751689.db2.gz MZRVEZJIGZQGPW-UHFFFAOYSA-N 0 0 454.548 4.871 20 0 JJADRN Cc1ccc(I)c(OC(=O)Cc2ccc(OCc3ccncc3)cc2)c1 ZINC001435429876 1064752058 /nfs/dbraw/zinc/75/20/58/1064752058.db2.gz SAAOLOXMYFJDSX-UHFFFAOYSA-N 0 0 459.283 4.722 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001359974960 1064752118 /nfs/dbraw/zinc/75/21/18/1064752118.db2.gz CMEXRRALQCHODR-ABAIWWIYSA-N 0 0 455.274 4.641 20 0 JJADRN CC(C)CNC(=O)C1(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 ZINC001435428750 1064752202 /nfs/dbraw/zinc/75/22/02/1064752202.db2.gz XKHROQFURCWWFD-AATRIKPKSA-N 0 0 450.423 4.939 20 0 JJADRN CN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001435430799 1064752766 /nfs/dbraw/zinc/75/27/66/1064752766.db2.gz JEODQMZWNADUTD-QFIPXVFZSA-N 0 0 457.361 4.541 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC001359975829 1064752700 /nfs/dbraw/zinc/75/27/00/1064752700.db2.gz VHSRLGWQDZDEDE-UHFFFAOYSA-N 0 0 452.001 4.666 20 0 JJADRN CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1Cc1nc(C(C)C)cs1 ZINC001359976580 1064752933 /nfs/dbraw/zinc/75/29/33/1064752933.db2.gz WTDJNKXITPJVJN-UHFFFAOYSA-N 0 0 479.654 4.956 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)C2CCCC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435432332 1064753714 /nfs/dbraw/zinc/75/37/14/1064753714.db2.gz DEHFAPRXKDWOLN-AWEZNQCLSA-N 0 0 450.601 4.983 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435432752 1064754012 /nfs/dbraw/zinc/75/40/12/1064754012.db2.gz DWLMRFYYNALLIP-MKTHODDLSA-N 0 0 450.589 4.566 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359977796 1064754046 /nfs/dbraw/zinc/75/40/46/1064754046.db2.gz MAMCEZXGDCHZSD-AREMUKBSSA-N 0 0 477.694 4.816 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCC(F)(F)F ZINC001359977983 1064754278 /nfs/dbraw/zinc/75/42/78/1064754278.db2.gz OFULDODFYDIKCO-INIZCTEOSA-N 0 0 479.613 4.780 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359978458 1064754617 /nfs/dbraw/zinc/75/46/17/1064754617.db2.gz YMDMECBTXXECFK-QHAWAJNXSA-N 0 0 463.667 4.690 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001359978456 1064754668 /nfs/dbraw/zinc/75/46/68/1064754668.db2.gz YMDMECBTXXECFK-PCCBWWKXSA-N 0 0 463.667 4.690 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359979414 1064755015 /nfs/dbraw/zinc/75/50/15/1064755015.db2.gz FQCIQOHQESCFJP-SIKLNZKXSA-N 0 0 485.629 4.530 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)s2)cc1OC ZINC001435436360 1064756091 /nfs/dbraw/zinc/75/60/91/1064756091.db2.gz QMGSMHRCFCBGDW-LHEBDHONSA-N 0 0 458.605 4.706 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)Oc1cccc(C(F)(F)F)c1 ZINC001435436458 1064756123 /nfs/dbraw/zinc/75/61/23/1064756123.db2.gz PKUHSXQPGVXERP-RHSMWYFYSA-N 0 0 458.274 4.918 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981124 1064756499 /nfs/dbraw/zinc/75/64/99/1064756499.db2.gz QXBJLJDASYPGLZ-OXQOHEQNSA-N 0 0 451.394 4.729 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@](C)(O)c1ccsc1 ZINC001359981097 1064756578 /nfs/dbraw/zinc/75/65/78/1064756578.db2.gz PNZIIJVAMMEPKO-OAQYLSRUSA-N 0 0 479.444 4.681 20 0 JJADRN CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359981401 1064756731 /nfs/dbraw/zinc/75/67/31/1064756731.db2.gz UUYXWSVNZSDZJY-UHFFFAOYSA-N 0 0 479.938 4.827 20 0 JJADRN CC[C@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)Oc1cccc(C(F)(F)F)c1 ZINC001435436837 1064756714 /nfs/dbraw/zinc/75/67/14/1064756714.db2.gz QIYCISQMXJEJIK-OAQYLSRUSA-N 0 0 458.480 4.952 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001435437885 1064756930 /nfs/dbraw/zinc/75/69/30/1064756930.db2.gz UOFWLNAZGIYESB-UHFFFAOYSA-N 0 0 457.409 4.616 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)Oc1cccc(C(F)(F)F)c1 ZINC001435437979 1064756976 /nfs/dbraw/zinc/75/69/76/1064756976.db2.gz USBOAMOAQDDJGW-QAPCUYQASA-N 0 0 458.274 4.745 20 0 JJADRN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(F)c(F)cc1I ZINC001359982190 1064757053 /nfs/dbraw/zinc/75/70/53/1064757053.db2.gz TYAXMENQFPOFGS-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981720 1064757182 /nfs/dbraw/zinc/75/71/82/1064757182.db2.gz ZVMUYGYZPDEKRH-HXUWFJFHSA-N 0 0 451.394 4.649 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCOc1ccc(C)cc1Br)c1ccc(Cl)cc1 ZINC001435438824 1064757491 /nfs/dbraw/zinc/75/74/91/1064757491.db2.gz NEFNPHZAZGNDMW-KRWDZBQOSA-N 0 0 454.748 4.600 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359982376 1064757597 /nfs/dbraw/zinc/75/75/97/1064757597.db2.gz BDCBLXQESLCVKU-AZUAARDMSA-N 0 0 475.609 4.734 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359982379 1064757672 /nfs/dbraw/zinc/75/76/72/1064757672.db2.gz 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C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC001435462600 1064772427 /nfs/dbraw/zinc/77/24/27/1064772427.db2.gz HJCFJWRUAFGQFH-QGZVFWFLSA-N 0 0 450.539 4.571 20 0 JJADRN CC(C)CN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCCC1=O)C1CCCC1 ZINC001359991033 1064772582 /nfs/dbraw/zinc/77/25/82/1064772582.db2.gz UMTFMZNXEKPBSO-UHFFFAOYSA-N 0 0 473.612 4.955 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001435463509 1064772861 /nfs/dbraw/zinc/77/28/61/1064772861.db2.gz IQSVTYJCUBGNLE-OAQYLSRUSA-N 0 0 458.599 4.560 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001435465491 1064773319 /nfs/dbraw/zinc/77/33/19/1064773319.db2.gz CBTKNWQICZMMJP-UHFFFAOYSA-N 0 0 453.576 4.621 20 0 JJADRN O=C(Nc1ccc2cc(Br)ccc2c1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001435465731 1064773742 /nfs/dbraw/zinc/77/37/42/1064773742.db2.gz ZXUAMRKAIYWXET-UHFFFAOYSA-N 0 0 454.292 4.992 20 0 JJADRN CC(C)CN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC001359991833 1064773835 /nfs/dbraw/zinc/77/38/35/1064773835.db2.gz GWFBUFVQBKSFFD-VWLOTQADSA-N 0 0 466.674 4.578 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)CC1=O ZINC001435465699 1064773954 /nfs/dbraw/zinc/77/39/54/1064773954.db2.gz ZQRXTBUKLOIVHM-GOSISDBHSA-N 0 0 458.480 4.773 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc(F)cc2C)c1 ZINC001435466726 1064774237 /nfs/dbraw/zinc/77/42/37/1064774237.db2.gz RFUSFZIKJXZHFS-UHFFFAOYSA-N 0 0 459.521 4.977 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1 ZINC001435466547 1064774275 /nfs/dbraw/zinc/77/42/75/1064774275.db2.gz BYTKLDBXDQDZGZ-HXUWFJFHSA-N 0 0 458.986 4.673 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435466412 1064774456 /nfs/dbraw/zinc/77/44/56/1064774456.db2.gz SAOXYSMDQUBBQY-HXUWFJFHSA-N 0 0 451.405 4.905 20 0 JJADRN CC(C)CN(c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cccs1)C(C)C ZINC001359992120 1064774486 /nfs/dbraw/zinc/77/44/86/1064774486.db2.gz NOZMMFOTBGOINU-UHFFFAOYSA-N 0 0 464.639 4.713 20 0 JJADRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359992702 1064774852 /nfs/dbraw/zinc/77/48/52/1064774852.db2.gz IOORAYHPZZDIGW-NSHDSACASA-N 0 0 459.456 4.621 20 0 JJADRN CC(C)CN(c1nnc(CN2CCCC2=O)n1Cc1nc2cc(Cl)ccc2s1)C(C)C ZINC001359992574 1064774883 /nfs/dbraw/zinc/77/48/83/1064774883.db2.gz XSHYPWYGUIANLO-UHFFFAOYSA-N 0 0 461.035 4.583 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)NCCc3nc4cc(Cl)ccc4s3)n2)cc1 ZINC001435467114 1064774952 /nfs/dbraw/zinc/77/49/52/1064774952.db2.gz HVDDIKKPSXQCMC-UHFFFAOYSA-N 0 0 456.955 4.690 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 ZINC001435468185 1064775291 /nfs/dbraw/zinc/77/52/91/1064775291.db2.gz YHUUWHUFUCDISU-IRLDBZIGSA-N 0 0 454.567 4.699 20 0 JJADRN CNS(=O)(=O)c1cccc(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)c1C ZINC001435469060 1064776034 /nfs/dbraw/zinc/77/60/34/1064776034.db2.gz AFGRIMUEAIUSGA-UHFFFAOYSA-N 0 0 456.376 4.586 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC001435469092 1064776082 /nfs/dbraw/zinc/77/60/82/1064776082.db2.gz BWPKKYXAHJAJPI-HSZRJFAPSA-N 0 0 454.571 4.863 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CSCCS1)C1CCCC1 ZINC001359993054 1064776171 /nfs/dbraw/zinc/77/61/71/1064776171.db2.gz LMPKXUDRDNFHPX-GOSISDBHSA-N 0 0 479.741 4.523 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)nc1-c1ccc(Cl)cc1 ZINC001435471505 1064776899 /nfs/dbraw/zinc/77/68/99/1064776899.db2.gz WDTZGARDQWZGFB-CQSZACIVSA-N 0 0 452.971 4.611 20 0 JJADRN CNS(=O)(=O)c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1C ZINC001435470995 1064777036 /nfs/dbraw/zinc/77/70/36/1064777036.db2.gz QUMRSXNGVCFXDD-UHFFFAOYSA-N 0 0 454.514 4.763 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1)C1CCCC1 ZINC001359993513 1064777318 /nfs/dbraw/zinc/77/73/18/1064777318.db2.gz VOYYKESKIPEPBF-IBGZPJMESA-N 0 0 461.701 4.960 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCCC1)C(C)C ZINC001359993527 1064777346 /nfs/dbraw/zinc/77/73/46/1064777346.db2.gz WISHHKDYRVSBCN-UHFFFAOYSA-N 0 0 465.436 4.796 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001435473071 1064777491 /nfs/dbraw/zinc/77/74/91/1064777491.db2.gz DBMQFDMSRWLLNN-UHFFFAOYSA-N 0 0 450.720 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC001435472589 1064777559 /nfs/dbraw/zinc/77/75/59/1064777559.db2.gz ARJWGWYDALUVCS-LLVKDONJSA-N 0 0 453.711 4.933 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc1 ZINC001435472103 1064777590 /nfs/dbraw/zinc/77/75/90/1064777590.db2.gz BAGCTELSABZTES-ZBFHGGJFSA-N 0 0 450.348 4.625 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nccn1C(F)F)C(C)C ZINC001359993541 1064777738 /nfs/dbraw/zinc/77/77/38/1064777738.db2.gz XBACAGFYYJMTTE-CALCHBBNSA-N 0 0 481.592 4.560 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)cc1 ZINC001435472924 1064777920 /nfs/dbraw/zinc/77/79/20/1064777920.db2.gz VNKYPHRVSVWATA-KGLIPLIRSA-N 0 0 455.407 4.830 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC001435473355 1064777999 /nfs/dbraw/zinc/77/79/99/1064777999.db2.gz HBXWEINSGPEHTA-HNNXBMFYSA-N 0 0 455.352 4.955 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001359994816 1064778112 /nfs/dbraw/zinc/77/81/12/1064778112.db2.gz GUHASULWTZDFPH-KGLIPLIRSA-N 0 0 455.049 4.727 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1 ZINC001435474527 1064779101 /nfs/dbraw/zinc/77/91/01/1064779101.db2.gz HNGPRVBZPHMJBK-UHFFFAOYSA-N 0 0 450.493 4.829 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC001435475306 1064779116 /nfs/dbraw/zinc/77/91/16/1064779116.db2.gz ZWVVSBBLWQIVOQ-CWTRNNRKSA-N 0 0 455.755 4.556 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C)cc3OC[C@@H]3CCOC3)s2)cc1 ZINC001435476227 1064779693 /nfs/dbraw/zinc/77/96/93/1064779693.db2.gz GJGMPNNTBJBRID-GOSISDBHSA-N 0 0 452.576 4.781 20 0 JJADRN CCOC(=O)C1(N(C)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCCCC1 ZINC001435477332 1064780278 /nfs/dbraw/zinc/78/02/78/1064780278.db2.gz LIKQVVFPHBGKSB-UHFFFAOYSA-N 0 0 452.267 4.686 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)Nc3c(C)cc(Br)c4ccccc43)ccc2c1=O ZINC001435477655 1064780722 /nfs/dbraw/zinc/78/07/22/1064780722.db2.gz PGPOKSUTUZGDPJ-UHFFFAOYSA-N 0 0 452.308 4.598 20 0 JJADRN Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC[C@@H]2CCOC2)c1 ZINC001435478302 1064780742 /nfs/dbraw/zinc/78/07/42/1064780742.db2.gz VYYTVDOFXLOERB-GOSISDBHSA-N 0 0 454.954 4.968 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)c1 ZINC001435478685 1064781178 /nfs/dbraw/zinc/78/11/78/1064781178.db2.gz LMGBOUZNOSSMAV-CYBMUJFWSA-N 0 0 454.564 4.796 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359995674 1064781172 /nfs/dbraw/zinc/78/11/72/1064781172.db2.gz BUVGNFGHGKDFOF-NSHDSACASA-N 0 0 459.456 4.526 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001359995479 1064781209 /nfs/dbraw/zinc/78/12/09/1064781209.db2.gz UQEBUIQDBLJWOO-INIZCTEOSA-N 0 0 451.384 4.756 20 0 JJADRN C[C@H](C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)c1cnn(C)c1 ZINC001435480044 1064781706 /nfs/dbraw/zinc/78/17/06/1064781706.db2.gz RWWIELVUJMAIGE-ZDUSSCGKSA-N 0 0 453.296 4.609 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001359997457 1064782775 /nfs/dbraw/zinc/78/27/75/1064782775.db2.gz BMHMTPFHCDRZPV-IBGZPJMESA-N 0 0 451.384 4.898 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359997443 1064782953 /nfs/dbraw/zinc/78/29/53/1064782953.db2.gz APDDDVCDXGURAB-INIZCTEOSA-N 0 0 496.425 4.948 20 0 JJADRN COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c(C)c1 ZINC001435482876 1064783255 /nfs/dbraw/zinc/78/32/55/1064783255.db2.gz JWGFOYITSZGGEG-LJQANCHMSA-N 0 0 452.473 4.905 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359997570 1064783536 /nfs/dbraw/zinc/78/35/36/1064783536.db2.gz JIGHLDQPMANPCP-UHFFFAOYSA-N 0 0 450.336 4.982 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC001435484036 1064783907 /nfs/dbraw/zinc/78/39/07/1064783907.db2.gz LXLYLJVUVQWJEC-UHFFFAOYSA-N 0 0 459.490 4.978 20 0 JJADRN COc1cc(OC)c(OC)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001435484066 1064783949 /nfs/dbraw/zinc/78/39/49/1064783949.db2.gz UGSZZUMAWWZHQP-UHFFFAOYSA-N 0 0 455.355 4.912 20 0 JJADRN CC(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359998075 1064783873 /nfs/dbraw/zinc/78/38/73/1064783873.db2.gz MKHKGFKTFSJKQR-HXUWFJFHSA-N 0 0 493.656 4.916 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)nn1-c1cccc(Cl)c1 ZINC001359998011 1064783935 /nfs/dbraw/zinc/78/39/35/1064783935.db2.gz BLPLCECTJFHORY-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN CCCOc1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)cc1OCCC ZINC001359998415 1064784407 /nfs/dbraw/zinc/78/44/07/1064784407.db2.gz HRJHXMJPOVWPQP-OAQYLSRUSA-N 0 0 456.608 4.655 20 0 JJADRN C[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435484905 1064784525 /nfs/dbraw/zinc/78/45/25/1064784525.db2.gz XCFLKFAMNJANHC-GFCCVEGCSA-N 0 0 459.344 4.779 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001435485449 1064784746 /nfs/dbraw/zinc/78/47/46/1064784746.db2.gz UWJZWVXKSUFYNO-DEOSSOPVSA-N 0 0 451.588 4.819 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@H]1CCN(c2ncccc2F)C1 ZINC001435485437 1064784757 /nfs/dbraw/zinc/78/47/57/1064784757.db2.gz SRKXZRZJWJNVGP-ZDUSSCGKSA-N 0 0 451.354 4.589 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001359998666 1064784792 /nfs/dbraw/zinc/78/47/92/1064784792.db2.gz FCADMGXHHDQVGU-UHFFFAOYSA-N 0 0 454.880 4.770 20 0 JJADRN CO[C@H](CNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC001435485509 1064784816 /nfs/dbraw/zinc/78/48/16/1064784816.db2.gz ULJKJDNMCIDMLT-HSZRJFAPSA-N 0 0 450.966 4.830 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001435485450 1064784963 /nfs/dbraw/zinc/78/49/63/1064784963.db2.gz UWJZWVXKSUFYNO-XMMPIXPASA-N 0 0 451.588 4.819 20 0 JJADRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001359999214 1064785313 /nfs/dbraw/zinc/78/53/13/1064785313.db2.gz ROBWKVFLGZDIRE-GOSISDBHSA-N 0 0 450.322 4.835 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001359999187 1064785476 /nfs/dbraw/zinc/78/54/76/1064785476.db2.gz QYJXPVJEYXRGBN-LJQANCHMSA-N 0 0 458.008 4.855 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OC(=O)c2ccn(CCC(F)(F)F)n2)cc1 ZINC001435486792 1064785331 /nfs/dbraw/zinc/78/53/31/1064785331.db2.gz FMEBULVYZLLKRS-UHFFFAOYSA-N 0 0 455.440 4.919 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001359999793 1064785820 /nfs/dbraw/zinc/78/58/20/1064785820.db2.gz YQRLYHOINLASHD-GOSISDBHSA-N 0 0 459.543 4.859 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)cc1OCC ZINC001359999702 1064785915 /nfs/dbraw/zinc/78/59/15/1064785915.db2.gz XICUJDQJTSVSSL-NRFANRHFSA-N 0 0 456.608 4.655 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2oc3ccccc3c2Br)c1C ZINC001359999730 1064785929 /nfs/dbraw/zinc/78/59/29/1064785929.db2.gz XUTGYZUZJOKQPH-INIZCTEOSA-N 0 0 459.365 4.966 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Br)c(F)cc2C)c(C)c1 ZINC001359999751 1064785984 /nfs/dbraw/zinc/78/59/84/1064785984.db2.gz YAGQTLFSOBKLME-GOSISDBHSA-N 0 0 451.361 4.667 20 0 JJADRN CCc1nc(C(=O)Nc2ccccc2-n2nc(C)nc2C)nn1-c1c(Cl)cccc1Cl ZINC001435487502 1064785897 /nfs/dbraw/zinc/78/58/97/1064785897.db2.gz JCMOHCFQAWUBMB-UHFFFAOYSA-N 0 0 456.337 4.586 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)CCC2 ZINC001435487765 1064786078 /nfs/dbraw/zinc/78/60/78/1064786078.db2.gz FMSFDLALMSTHQH-PXAZEXFGSA-N 0 0 452.407 4.901 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000399 1064786451 /nfs/dbraw/zinc/78/64/51/1064786451.db2.gz JEYRSQXUHQJRFV-AZUAARDMSA-N 0 0 459.610 4.794 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Oc2ccccc2)c1 ZINC001435488805 1064786396 /nfs/dbraw/zinc/78/63/96/1064786396.db2.gz JQTKZJBKOULJMK-UHFFFAOYSA-N 0 0 450.560 4.502 20 0 JJADRN Cc1c(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nnn1-c1cccc(Cl)c1 ZINC001435490347 1064786852 /nfs/dbraw/zinc/78/68/52/1064786852.db2.gz WOJLKTGUIHVWCG-UHFFFAOYSA-N 0 0 455.946 4.549 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 ZINC001360000890 1064786894 /nfs/dbraw/zinc/78/68/94/1064786894.db2.gz WKDZQUHMGOGHDP-UHFFFAOYSA-N 0 0 458.514 4.573 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc(F)cc2C1 ZINC001360001075 1064786919 /nfs/dbraw/zinc/78/69/19/1064786919.db2.gz DCDMMKGHQUMMPM-LJQANCHMSA-N 0 0 457.594 4.750 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001360001322 1064787010 /nfs/dbraw/zinc/78/70/10/1064787010.db2.gz JIJCFLLBLYPCDA-MHZLTWQESA-N 0 0 483.657 4.801 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001360001361 1064787539 /nfs/dbraw/zinc/78/75/39/1064787539.db2.gz LDRMYUYWOFMLJM-FDFHNCONSA-N 0 0 475.678 4.692 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)c1ccccc1Cl ZINC001435493099 1064787904 /nfs/dbraw/zinc/78/79/04/1064787904.db2.gz YVEFDLLBHJHTEE-HXUWFJFHSA-N 0 0 453.329 4.679 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cc(F)ccc2Br)c1Cl ZINC001435492357 1064787920 /nfs/dbraw/zinc/78/79/20/1064787920.db2.gz UKVOSYOYCWKASA-UHFFFAOYSA-N 0 0 456.116 4.908 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)cs1 ZINC001435492483 1064788070 /nfs/dbraw/zinc/78/80/70/1064788070.db2.gz ZXGLEPKISPFWAD-GOSISDBHSA-N 0 0 459.974 4.922 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001360001655 1064788096 /nfs/dbraw/zinc/78/80/96/1064788096.db2.gz YVYVGQXTEOUSOL-RBBKRZOGSA-N 0 0 487.620 4.766 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1Cc1c(C)cc(C)cc1C ZINC001545891434 1064788509 /nfs/dbraw/zinc/78/85/09/1064788509.db2.gz AIWIUBPURJNBKE-UHFFFAOYSA-N 0 0 474.447 4.659 20 0 JJADRN COc1cc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc(OC)c1OC(F)F ZINC001360002342 1064788543 /nfs/dbraw/zinc/78/85/43/1064788543.db2.gz JROGNYLMSSSINI-UHFFFAOYSA-N 0 0 453.438 4.549 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C2(Cc3ccccc3Br)CC2)c1 ZINC001360002570 1064788636 /nfs/dbraw/zinc/78/86/36/1064788636.db2.gz LVHTVJOUVBKLQC-IBGZPJMESA-N 0 0 459.409 4.620 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC001360002280 1064788666 /nfs/dbraw/zinc/78/86/66/1064788666.db2.gz IJEQQWHACSSWRA-YADARESESA-N 0 0 458.583 4.870 20 0 JJADRN COc1ccc(Br)c(CC(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1 ZINC001360002320 1064788716 /nfs/dbraw/zinc/78/87/16/1064788716.db2.gz IUTKZTIWCVWTTF-UHFFFAOYSA-N 0 0 450.329 4.631 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 ZINC001360002646 1064789062 /nfs/dbraw/zinc/78/90/62/1064789062.db2.gz NCGHCROUKXFKCW-YPMHNXCESA-N 0 0 450.655 4.928 20 0 JJADRN O=C(COc1cccc2cccnc21)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001435495673 1064789603 /nfs/dbraw/zinc/78/96/03/1064789603.db2.gz RADVHHJYCLKSBE-UHFFFAOYSA-N 0 0 451.280 4.597 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCC3(Cc4ccccc4)CCC3)CC2=O)ccc1Br ZINC001435497291 1064790113 /nfs/dbraw/zinc/79/01/13/1064790113.db2.gz ICKVYWSLEAHXKK-LJQANCHMSA-N 0 0 455.396 4.640 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360004161 1064790155 /nfs/dbraw/zinc/79/01/55/1064790155.db2.gz CCKJTCSVSWRCTC-GOSISDBHSA-N 0 0 478.037 4.860 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001360004262 1064790754 /nfs/dbraw/zinc/79/07/54/1064790754.db2.gz FOEFCWPRJHHXLD-FQEVSTJZSA-N 0 0 450.631 4.928 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001360004490 1064790769 /nfs/dbraw/zinc/79/07/69/1064790769.db2.gz LSSFUZGMQMPRFZ-HXUWFJFHSA-N 0 0 463.420 4.671 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001360004271 1064790821 /nfs/dbraw/zinc/79/08/21/1064790821.db2.gz GKYUPSUGPMRSME-LJQANCHMSA-N 0 0 472.062 4.775 20 0 JJADRN COc1cnc(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)c(F)c1 ZINC001435498739 1064791106 /nfs/dbraw/zinc/79/11/06/1064791106.db2.gz QWICYEBDBUJPMJ-SNVBAGLBSA-N 0 0 450.333 4.915 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCCC3(C)C)c2)cc1 ZINC001435500076 1064791298 /nfs/dbraw/zinc/79/12/98/1064791298.db2.gz WAUXJKMAZWFNGE-QHCPKHFHSA-N 0 0 458.624 4.917 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(OCCF)c3)C2)c2ccccc12 ZINC001435498979 1064791331 /nfs/dbraw/zinc/79/13/31/1064791331.db2.gz RXENERQBUCSEQU-SFHVURJKSA-N 0 0 450.510 4.688 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)N1CCc2cccc(F)c21 ZINC001435501115 1064791729 /nfs/dbraw/zinc/79/17/29/1064791729.db2.gz QUBIQMJJWDLOKT-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c(N2CCOCC2)c1 ZINC001435501576 1064791740 /nfs/dbraw/zinc/79/17/40/1064791740.db2.gz FVUDZLYRUFGIFV-UHFFFAOYSA-N 0 0 451.592 4.672 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)OCc1noc(-c2ccc(Cl)cc2)n1 ZINC001435501494 1064791777 /nfs/dbraw/zinc/79/17/77/1064791777.db2.gz BDOXLDDTOXHPEG-UHFFFAOYSA-N 0 0 458.095 4.928 20 0 JJADRN CC(C)C1CCC(CNC(=O)c2cnn(-c3ccccc3)c2I)CC1 ZINC001435501513 1064791792 /nfs/dbraw/zinc/79/17/92/1064791792.db2.gz DYNVUIMGPDBNSR-UHFFFAOYSA-N 0 0 451.352 4.669 20 0 JJADRN CC(C)(CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC001360004947 1064791733 /nfs/dbraw/zinc/79/17/33/1064791733.db2.gz VZVUPAZFNBCJPU-UHFFFAOYSA-N 0 0 457.324 4.583 20 0 JJADRN C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435502028 1064792200 /nfs/dbraw/zinc/79/22/00/1064792200.db2.gz DZKHFBTWNDOGIQ-NSYGIPOTSA-N 0 0 458.505 4.543 20 0 JJADRN CC(C)Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360005765 1064792266 /nfs/dbraw/zinc/79/22/66/1064792266.db2.gz ANLZOBWRJIOYOB-OAQYLSRUSA-N 0 0 453.631 4.850 20 0 JJADRN CC(C)Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360005832 1064792512 /nfs/dbraw/zinc/79/25/12/1064792512.db2.gz CZUNFANSBPHBKW-OAQYLSRUSA-N 0 0 453.631 4.898 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435503335 1064792695 /nfs/dbraw/zinc/79/26/95/1064792695.db2.gz LMWAJLRAAVCHQT-DWXRJYCRSA-N 0 0 454.542 4.841 20 0 JJADRN Cc1cc(C)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c(Br)c1 ZINC001435503618 1064792724 /nfs/dbraw/zinc/79/27/24/1064792724.db2.gz DHUJJAYZFNPWLV-UHFFFAOYSA-N 0 0 455.146 4.781 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001435503006 1064792736 /nfs/dbraw/zinc/79/27/36/1064792736.db2.gz QOBJTUJTABLOSZ-IRLDBZIGSA-N 0 0 456.514 4.512 20 0 JJADRN C[C@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435503340 1064792757 /nfs/dbraw/zinc/79/27/57/1064792757.db2.gz LMWAJLRAAVCHQT-QYBDOPJKSA-N 0 0 454.542 4.841 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ncn(-c2ccccc2)n1 ZINC001435503103 1064792839 /nfs/dbraw/zinc/79/28/39/1064792839.db2.gz MEKLDDXZDIJGHG-HXUWFJFHSA-N 0 0 451.299 4.688 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C1CC1 ZINC001360006145 1064792908 /nfs/dbraw/zinc/79/29/08/1064792908.db2.gz CJYUVHUGQLNBFM-AREMUKBSSA-N 0 0 452.599 4.700 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)N[C@H](c3cccc(F)c3)c3cccc(Br)c3)n2n1 ZINC001435504340 1064793350 /nfs/dbraw/zinc/79/33/50/1064793350.db2.gz SYPOLWSHFYLLSI-NRFANRHFSA-N 0 0 453.315 4.767 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001360006587 1064793546 /nfs/dbraw/zinc/79/35/46/1064793546.db2.gz RVWKOSNWZOXKJZ-SESVDKBCSA-N 0 0 471.646 4.868 20 0 JJADRN O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001435505773 1064793776 /nfs/dbraw/zinc/79/37/76/1064793776.db2.gz QUXJYUNDMQAYOE-UHFFFAOYSA-N 0 0 452.816 4.574 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)cc2)no1 ZINC001360007317 1064794524 /nfs/dbraw/zinc/79/45/24/1064794524.db2.gz SMMSPAYTDCURFB-RUZDIDTESA-N 0 0 456.587 4.748 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)cc2)n1 ZINC001435506640 1064794541 /nfs/dbraw/zinc/79/45/41/1064794541.db2.gz DTGDAAKSPADTFL-UHFFFAOYSA-N 0 0 459.527 4.804 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@H](OCC1CCCC1)c1ccccc1)CC2 ZINC001435507474 1064794649 /nfs/dbraw/zinc/79/46/49/1064794649.db2.gz ADLWSPOPHPNWIL-XMMPIXPASA-N 0 0 453.579 4.588 20 0 JJADRN Cc1nn(CC(=O)N[C@@H]2COc3c2cccc3Cl)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001435507955 1064795103 /nfs/dbraw/zinc/79/51/03/1064795103.db2.gz QTOHOMRAGMICPY-MRXNPFEDSA-N 0 0 452.864 4.785 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(OC[C@@H]2CCCO2)c1 ZINC001435508602 1064795506 /nfs/dbraw/zinc/79/55/06/1064795506.db2.gz QXPRSGOBRIRKMD-VWLOTQADSA-N 0 0 458.558 4.759 20 0 JJADRN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1cc(I)ccc1Cl ZINC001435510225 1064796669 /nfs/dbraw/zinc/79/66/69/1064796669.db2.gz OOKKAKDYWJOXJJ-OAHLLOKOSA-N 0 0 455.679 4.616 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c1Cl ZINC001435512984 1064798248 /nfs/dbraw/zinc/79/82/48/1064798248.db2.gz IUVHBSDFTBDGCA-CYBMUJFWSA-N 0 0 452.363 4.845 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001360008934 1064798862 /nfs/dbraw/zinc/79/88/62/1064798862.db2.gz BEFJZQWCPPYLTI-NHYWBVRUSA-N 0 0 458.830 4.823 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)sc2C)cc1 ZINC001435513634 1064798885 /nfs/dbraw/zinc/79/88/85/1064798885.db2.gz MYVQXARRBBKSKZ-UHFFFAOYSA-N 0 0 450.560 4.893 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c(Cl)nc1Cl ZINC001435515661 1064799154 /nfs/dbraw/zinc/79/91/54/1064799154.db2.gz XACLFIVVZIKFPY-CYBMUJFWSA-N 0 0 454.112 4.739 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)n1 ZINC001435515770 1064799880 /nfs/dbraw/zinc/79/98/80/1064799880.db2.gz DZSKOIBSIUWNNA-CQSZACIVSA-N 0 0 454.303 4.832 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001435518260 1064801800 /nfs/dbraw/zinc/80/18/00/1064801800.db2.gz ZUHIUWYNIWTXRW-SRVWHDFXSA-N 0 0 457.361 4.957 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(Br)c(C)c1 ZINC001435518234 1064801811 /nfs/dbraw/zinc/80/18/11/1064801811.db2.gz ZESJYVQXLQOAHA-KRWDZBQOSA-N 0 0 459.167 4.969 20 0 JJADRN CC(C)CO[C@@H]1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001435518663 1064801825 /nfs/dbraw/zinc/80/18/25/1064801825.db2.gz HOEQSQMSJROHEY-OAHLLOKOSA-N 0 0 455.908 4.920 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001435520612 1064803304 /nfs/dbraw/zinc/80/33/04/1064803304.db2.gz YODDDRUEJVWVDP-UHFFFAOYSA-N 0 0 450.438 4.752 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435520124 1064803408 /nfs/dbraw/zinc/80/34/08/1064803408.db2.gz SOAZBYBPBYIFTF-QGZVFWFLSA-N 0 0 454.876 4.749 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc(Br)cc1Cl ZINC001435521466 1064804013 /nfs/dbraw/zinc/80/40/13/1064804013.db2.gz SONHEQKHXDEUKN-IBGZPJMESA-N 0 0 450.760 4.929 20 0 JJADRN COC(=O)CCc1csc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)n1 ZINC001435520785 1064804246 /nfs/dbraw/zinc/80/42/46/1064804246.db2.gz YUMMVTIWDWZMTM-UHFFFAOYSA-N 0 0 458.971 4.609 20 0 JJADRN CO[C@H](C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccccc1Br ZINC001435522634 1064804905 /nfs/dbraw/zinc/80/49/05/1064804905.db2.gz KILFLWVCQISWRZ-KRWDZBQOSA-N 0 0 457.137 4.623 20 0 JJADRN CCCC1(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)CC1 ZINC001435523239 1064805655 /nfs/dbraw/zinc/80/56/55/1064805655.db2.gz KNIRCJIGHNKLHR-RCZVLFRGSA-N 0 0 450.579 4.885 20 0 JJADRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(Br)cnc1Br ZINC001435525067 1064807149 /nfs/dbraw/zinc/80/71/49/1064807149.db2.gz ITFVWHQGOFNIMU-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001435524529 1064807345 /nfs/dbraw/zinc/80/73/45/1064807345.db2.gz IHCWBRIZAVCUHD-KRWDZBQOSA-N 0 0 453.421 4.972 20 0 JJADRN O=C(NCc1nnc(-c2ccccc2)s1)c1c(Br)cccc1Br ZINC001435528192 1064809542 /nfs/dbraw/zinc/80/95/42/1064809542.db2.gz XKAQVAGDGJJVAZ-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC001435528326 1064809618 /nfs/dbraw/zinc/80/96/18/1064809618.db2.gz YBEYBSPVMNXAMS-GFCCVEGCSA-N 0 0 452.702 4.764 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC001435528330 1064809765 /nfs/dbraw/zinc/80/97/65/1064809765.db2.gz YBEYBSPVMNXAMS-LBPRGKRZSA-N 0 0 452.702 4.764 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)[C@@H](C)C(=O)OC(C)C)c(OC)c1 ZINC001435529550 1064810354 /nfs/dbraw/zinc/81/03/54/1064810354.db2.gz WTVCFQPBEPPDCE-KRWDZBQOSA-N 0 0 452.551 4.583 20 0 JJADRN CCC[C@H]1CCc2ccccc2N1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001435530630 1064812100 /nfs/dbraw/zinc/81/21/00/1064812100.db2.gz SXZDROOYKILWMP-SFHVURJKSA-N 0 0 457.368 4.713 20 0 JJADRN CC(C)C[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)C1 ZINC001435531000 1064812818 /nfs/dbraw/zinc/81/28/18/1064812818.db2.gz QAPUVIAYYDVZJO-QGZVFWFLSA-N 0 0 456.446 4.820 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC(F)(F)C2)[C@@H](C)C1=O ZINC001360015282 1064813794 /nfs/dbraw/zinc/81/37/94/1064813794.db2.gz PEDULLJFQFSBMI-FHWLQOOXSA-N 0 0 493.574 4.686 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2=CCCCC2)CC1=O ZINC001360015158 1064813837 /nfs/dbraw/zinc/81/38/37/1064813837.db2.gz NQJOJJIVAXWRRA-FQEVSTJZSA-N 0 0 469.605 4.752 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)c1 ZINC001435534737 1064814481 /nfs/dbraw/zinc/81/44/81/1064814481.db2.gz GQPYVDUVFURKPH-UHFFFAOYSA-N 0 0 457.983 4.833 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3ccc(N(C)S(C)(=O)=O)cc3)c3ccccc3n2)cc1 ZINC001360016260 1064815370 /nfs/dbraw/zinc/81/53/70/1064815370.db2.gz MJZKRPUWEJTGJN-UHFFFAOYSA-N 0 0 459.571 4.536 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CCCS2)[C@H](C)C1=O ZINC001360016297 1064815383 /nfs/dbraw/zinc/81/53/83/1064815383.db2.gz YSXKWYYHEKDMEG-HHJKRLRDSA-N 0 0 489.661 4.536 20 0 JJADRN Cc1c(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435537386 1064816083 /nfs/dbraw/zinc/81/60/83/1064816083.db2.gz RGKRRQPBHIKGTD-HXUWFJFHSA-N 0 0 459.468 4.606 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC001360016998 1064816119 /nfs/dbraw/zinc/81/61/19/1064816119.db2.gz KGJBCUCXDOUQMQ-XMMPIXPASA-N 0 0 450.579 4.641 20 0 JJADRN CN(c1ccc(CNC(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)cc1)S(C)(=O)=O ZINC001360016634 1064816187 /nfs/dbraw/zinc/81/61/87/1064816187.db2.gz XGOJAKLVJZSCHO-OVCLIPMQSA-N 0 0 454.979 4.732 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1=O ZINC001360017138 1064816841 /nfs/dbraw/zinc/81/68/41/1064816841.db2.gz AQNMCLQXNOLWKF-OFNKIYASSA-N 0 0 488.076 4.744 20 0 JJADRN CC(C)CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001435541893 1064819211 /nfs/dbraw/zinc/81/92/11/1064819211.db2.gz GCPQPAQLBZXQBP-MRXNPFEDSA-N 0 0 451.352 4.908 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC001435543577 1064819835 /nfs/dbraw/zinc/81/98/35/1064819835.db2.gz WTOHCIDWSDOUAY-ZDUSSCGKSA-N 0 0 451.955 4.502 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)c2nccs2)CC1=O ZINC001360018595 1064820254 /nfs/dbraw/zinc/82/02/54/1064820254.db2.gz SLPUOSSKZQLRFH-LJQANCHMSA-N 0 0 480.682 4.807 20 0 JJADRN O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc2ccc(Br)cc2s1 ZINC001435544852 1064820483 /nfs/dbraw/zinc/82/04/83/1064820483.db2.gz GSTKYASJAAVUKS-UHFFFAOYSA-N 0 0 456.264 4.924 20 0 JJADRN CN(CCOCc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001435544196 1064820614 /nfs/dbraw/zinc/82/06/14/1064820614.db2.gz ZVQZRRMEINDTFT-XMMPIXPASA-N 0 0 450.966 4.876 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)[C@@H](C)C1=O ZINC001360018743 1064821055 /nfs/dbraw/zinc/82/10/55/1064821055.db2.gz VRSWNLUSBTZHPT-QMHKHESXSA-N 0 0 480.440 4.514 20 0 JJADRN O=C(Nc1ncc(Br)cc1I)c1ccc2c(c1)CCC=C2 ZINC001435546993 1064821943 /nfs/dbraw/zinc/82/19/43/1064821943.db2.gz LJUWHYBKFJTYHK-UHFFFAOYSA-N 0 0 455.093 4.660 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCCOC(C)C)CC1=O ZINC001360019030 1064822071 /nfs/dbraw/zinc/82/20/71/1064822071.db2.gz YDIGOSFBRVQIOA-FQEVSTJZSA-N 0 0 487.714 4.641 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 ZINC001435547087 1064822069 /nfs/dbraw/zinc/82/20/69/1064822069.db2.gz WJCXGVIZSSDPTB-UHFFFAOYSA-N 0 0 456.474 4.536 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCOC1CCCCCC1 ZINC001545891753 1064822213 /nfs/dbraw/zinc/82/22/13/1064822213.db2.gz HKCBTGNDTGWTPE-LEWJYISDSA-N 0 0 459.679 4.952 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)cc1 ZINC001360019852 1064822858 /nfs/dbraw/zinc/82/28/58/1064822858.db2.gz GAACGWTXFMYPRI-CYBMUJFWSA-N 0 0 451.379 4.804 20 0 JJADRN CC(C)Sc1ccccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001435548185 1064822855 /nfs/dbraw/zinc/82/28/55/1064822855.db2.gz BXSLFPKDRMDBEL-AWEZNQCLSA-N 0 0 456.427 4.998 20 0 JJADRN O=C(Nc1ncc(F)cc1I)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001435547867 1064822911 /nfs/dbraw/zinc/82/29/11/1064822911.db2.gz DIWPSDFSPZANAY-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)cc1 ZINC001360020291 1064823657 /nfs/dbraw/zinc/82/36/57/1064823657.db2.gz UNHUMTGJTDDCRH-AUUYWEPGSA-N 0 0 455.045 4.772 20 0 JJADRN CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1c(F)cccc1Cl ZINC001435549260 1064823725 /nfs/dbraw/zinc/82/37/25/1064823725.db2.gz DQVXXNQKTYHWPX-FQEVSTJZSA-N 0 0 453.963 4.883 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1F ZINC001435549850 1064823799 /nfs/dbraw/zinc/82/37/99/1064823799.db2.gz AAMNYRXNNFFZCM-NRFANRHFSA-N 0 0 450.551 4.657 20 0 JJADRN CN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001435549610 1064823846 /nfs/dbraw/zinc/82/38/46/1064823846.db2.gz MPOHSMMBODBEQM-KRWDZBQOSA-N 0 0 454.297 4.919 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)n2)ccc1F ZINC001435549525 1064823927 /nfs/dbraw/zinc/82/39/27/1064823927.db2.gz LDEMREOUNHFPLP-IYJATWDHSA-N 0 0 472.561 4.931 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC001360021132 1064824480 /nfs/dbraw/zinc/82/44/80/1064824480.db2.gz YFRVPPWRLVTKLA-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)C1 ZINC001360021022 1064824502 /nfs/dbraw/zinc/82/45/02/1064824502.db2.gz UURLLLSETXCFSC-KBMIEXCESA-N 0 0 457.530 4.854 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2cscc2C(F)(F)F)[C@@H](C)C1=O ZINC001360021532 1064825307 /nfs/dbraw/zinc/82/53/07/1064825307.db2.gz LLBMLZDCVRDIHI-HNNXBMFYSA-N 0 0 495.546 4.906 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OCC)c1OCC ZINC001435552342 1064826067 /nfs/dbraw/zinc/82/60/67/1064826067.db2.gz WAEWKJNMBSKOAE-HNNXBMFYSA-N 0 0 457.502 4.871 20 0 JJADRN COc1ccc(C[C@@](C)(NC(C)=O)C(=O)OCc2ccc(C3CCCCC3)cc2)cc1OC ZINC001435552987 1064826147 /nfs/dbraw/zinc/82/61/47/1064826147.db2.gz YPGYHTPFTNANAU-HHHXNRCGSA-N 0 0 453.579 4.932 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ccc1F ZINC001435553676 1064827040 /nfs/dbraw/zinc/82/70/40/1064827040.db2.gz YLWMFZNJCVMFFG-FQEVSTJZSA-N 0 0 456.530 4.652 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1)c1cccc(Br)c1 ZINC001435555196 1064827615 /nfs/dbraw/zinc/82/76/15/1064827615.db2.gz VNZLZLHRYIMYGG-HXUWFJFHSA-N 0 0 457.368 4.923 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)ccc1C ZINC001435554828 1064827632 /nfs/dbraw/zinc/82/76/32/1064827632.db2.gz MNINFWIDOXTIPU-FQEVSTJZSA-N 0 0 457.640 4.965 20 0 JJADRN CC(C)CN1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1=O ZINC001360024552 1064827556 /nfs/dbraw/zinc/82/75/56/1064827556.db2.gz KMVODXOQEVWANP-KRWDZBQOSA-N 0 0 463.548 4.696 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](C)C1=O ZINC001360024486 1064827657 /nfs/dbraw/zinc/82/76/57/1064827657.db2.gz JMRRYUVZOROIOI-FYQPLNBISA-N 0 0 485.595 4.582 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(C)C)[C@@H](C)C1=O ZINC001360024647 1064827716 /nfs/dbraw/zinc/82/77/16/1064827716.db2.gz APPDSRQCIRKFAL-FQEVSTJZSA-N 0 0 478.641 4.975 20 0 JJADRN COC(=O)COc1ccc(NC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)c2ccccc12 ZINC001435555446 1064828344 /nfs/dbraw/zinc/82/83/44/1064828344.db2.gz XENMFWZDNVAYPZ-UVTDQMKNSA-N 0 0 451.475 4.592 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)c2)n1 ZINC001435555442 1064828426 /nfs/dbraw/zinc/82/84/26/1064828426.db2.gz WZOKRPKKXCDARC-SFHVURJKSA-N 0 0 453.564 4.774 20 0 JJADRN CC(C)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1=O ZINC001360025871 1064828508 /nfs/dbraw/zinc/82/85/08/1064828508.db2.gz XIFJPVCXLSFQIT-CVDCTZTESA-N 0 0 487.092 4.585 20 0 JJADRN CCOc1cccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1OC(F)F ZINC001435556125 1064829198 /nfs/dbraw/zinc/82/91/98/1064829198.db2.gz KIFGWTOEYIFOQW-UHFFFAOYSA-N 0 0 455.383 4.821 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc3cccc(Br)c3n2)nc1 ZINC001435558161 1064829760 /nfs/dbraw/zinc/82/97/60/1064829760.db2.gz NZNMYOYUMDPFRR-UHFFFAOYSA-N 0 0 457.328 4.921 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](C)C2)[C@H](C)C1=O ZINC001360029886 1064831766 /nfs/dbraw/zinc/83/17/66/1064831766.db2.gz BBHYLLHLAXNHRW-QKNQBKEWSA-N 0 0 458.050 4.652 20 0 JJADRN CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360030272 1064832080 /nfs/dbraw/zinc/83/20/80/1064832080.db2.gz GXXCWKBMTMKJQO-RBBKRZOGSA-N 0 0 460.066 4.506 20 0 JJADRN CC(C)C[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360029829 1064832118 /nfs/dbraw/zinc/83/21/18/1064832118.db2.gz ANTAPXMEOUMAJW-QHCPKHFHSA-N 0 0 490.549 4.663 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC(OCc3ccccc3F)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435560375 1064832045 /nfs/dbraw/zinc/83/20/45/1064832045.db2.gz XCPUHSJWYAUKIA-VXKWHMMOSA-N 0 0 458.530 4.597 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(OCc3ccccc3F)CC2)CC[C@@H]1c1ccc(C)o1 ZINC001435560374 1064832078 /nfs/dbraw/zinc/83/20/78/1064832078.db2.gz XCPUHSJWYAUKIA-FGZHOGPDSA-N 0 0 458.530 4.597 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1=O ZINC001360031034 1064832985 /nfs/dbraw/zinc/83/29/85/1064832985.db2.gz VBOXNTTVLIGEHY-HFSMHLIXSA-N 0 0 495.565 4.995 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC001435561887 1064833626 /nfs/dbraw/zinc/83/36/26/1064833626.db2.gz HLZXBMBQNGEUFB-UHFFFAOYSA-N 0 0 451.367 4.619 20 0 JJADRN 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JJADRN CC(C)CSCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001360077152 1064929723 /nfs/dbraw/zinc/92/97/23/1064929723.db2.gz ZOPHVLTZATYRRS-GOSISDBHSA-N 0 0 453.450 4.712 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001360077066 1064929779 /nfs/dbraw/zinc/92/97/79/1064929779.db2.gz JBIAOUODFQODOA-KRWDZBQOSA-N 0 0 499.512 4.590 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001435678765 1064929817 /nfs/dbraw/zinc/92/98/17/1064929817.db2.gz CTLRZURVOBTWLJ-BVZFJXPGSA-N 0 0 454.636 4.777 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360077175 1064930232 /nfs/dbraw/zinc/93/02/32/1064930232.db2.gz KMOHZSIMXZIVDI-SFTDATJTSA-N 0 0 495.734 4.645 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)[C@H]1CCc2c1cccc2Cl ZINC001435680167 1064930356 /nfs/dbraw/zinc/93/03/56/1064930356.db2.gz BOWXXWMPRKAPDE-ICSRJNTNSA-N 0 0 450.888 4.696 20 0 JJADRN CC(C)CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360077360 1064930852 /nfs/dbraw/zinc/93/08/52/1064930852.db2.gz OMMCHPGYBQZIDQ-INIZCTEOSA-N 0 0 476.597 4.855 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001360077513 1064930906 /nfs/dbraw/zinc/93/09/06/1064930906.db2.gz SHOBUMRTYMDSOR-GGAORHGYSA-N 0 0 485.698 4.788 20 0 JJADRN CCOCCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC001435681387 1064931135 /nfs/dbraw/zinc/93/11/35/1064931135.db2.gz OPEUDLNEEUWDTC-UHFFFAOYSA-N 0 0 458.356 4.919 20 0 JJADRN CC(C)CSCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSC[C@H]1C ZINC001360077883 1064931497 /nfs/dbraw/zinc/93/14/97/1064931497.db2.gz ZFWZTUGLPXRAGR-LJQANCHMSA-N 0 0 456.685 4.852 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)/C=C\c1cc(C(=O)OC)co1 ZINC001435682135 1064931453 /nfs/dbraw/zinc/93/14/53/1064931453.db2.gz VPRYKXDFSHYFOI-QWUACUGRSA-N 0 0 450.457 4.616 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001435683616 1064932236 /nfs/dbraw/zinc/93/22/36/1064932236.db2.gz UETIFXCXMWHERD-IVCQMTBJSA-N 0 0 455.913 4.981 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001435683416 1064932284 /nfs/dbraw/zinc/93/22/84/1064932284.db2.gz RMWDJWKODWRCRQ-UHFFFAOYSA-N 0 0 458.562 4.704 20 0 JJADRN CC(C)CSCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360079032 1064932725 /nfs/dbraw/zinc/93/27/25/1064932725.db2.gz BICHOQZTHOUBKY-OAQYLSRUSA-N 0 0 450.599 4.866 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2ccnc(OC3CCC3)c2)cc1)c1ccc(Cl)cc1 ZINC001360078868 1064932800 /nfs/dbraw/zinc/93/28/00/1064932800.db2.gz JLZORAWTXDBZAI-UHFFFAOYSA-N 0 0 450.922 4.858 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)[C@H]1CC(c2ccccc2C)=NO1)C(F)(F)F ZINC001435684150 1064932858 /nfs/dbraw/zinc/93/28/58/1064932858.db2.gz NOZVDXSRJXJVGD-IRLDBZIGSA-N 0 0 456.468 4.710 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)[C@@H]1CC(c2ccccc2C)=NO1)C(F)(F)F ZINC001435684152 1064932914 /nfs/dbraw/zinc/93/29/14/1064932914.db2.gz NOZVDXSRJXJVGD-UNMCSNQZSA-N 0 0 456.468 4.710 20 0 JJADRN CCn1cc(CC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC001435686877 1064933863 /nfs/dbraw/zinc/93/38/63/1064933863.db2.gz YQYZYBPGMQQVPJ-NRFANRHFSA-N 0 0 457.496 4.530 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001360079400 1064934027 /nfs/dbraw/zinc/93/40/27/1064934027.db2.gz HUYMTBDPBRXDBW-FQEVSTJZSA-N 0 0 450.693 4.564 20 0 JJADRN CC(C)CSCCCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360079459 1064934146 /nfs/dbraw/zinc/93/41/46/1064934146.db2.gz JMTIUKYVCKANKJ-OPYAIIAOSA-N 0 0 478.625 4.733 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 ZINC001360079422 1064934170 /nfs/dbraw/zinc/93/41/70/1064934170.db2.gz ILSKTBGWRRCDNZ-QRVBRYPASA-N 0 0 451.681 4.674 20 0 JJADRN Cc1cc(NC(=O)c2cc(I)c(F)cc2F)nn1-c1ccc(C)cc1 ZINC001435687164 1064934152 /nfs/dbraw/zinc/93/41/52/1064934152.db2.gz ZOCXHODTWZWWCN-UHFFFAOYSA-N 0 0 453.230 4.624 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360079646 1064934615 /nfs/dbraw/zinc/93/46/15/1064934615.db2.gz LZGOLKOYBBGJMX-XMSQKQJNSA-N 0 0 464.626 4.932 20 0 JJADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360079670 1064934641 /nfs/dbraw/zinc/93/46/41/1064934641.db2.gz UVMHEHZFNVUGGD-FGZHOGPDSA-N 0 0 452.352 4.861 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001360079885 1064935161 /nfs/dbraw/zinc/93/51/61/1064935161.db2.gz QAZWLRYBDFCPNQ-JOCHJYFZSA-N 0 0 498.741 4.518 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC001435689256 1064935126 /nfs/dbraw/zinc/93/51/26/1064935126.db2.gz MDJFORYSRLXIES-MRXNPFEDSA-N 0 0 453.404 4.921 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001360079763 1064935240 /nfs/dbraw/zinc/93/52/40/1064935240.db2.gz OFSLGXHKOAIIRY-QHCPKHFHSA-N 0 0 451.640 4.621 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2ncc3cc(Cl)ccn32)cc1)c1ccc(Cl)cc1 ZINC001360079948 1064935971 /nfs/dbraw/zinc/93/59/71/1064935971.db2.gz ZBWFOHMCCFSVHX-UHFFFAOYSA-N 0 0 454.313 4.833 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC001435690184 1064935969 /nfs/dbraw/zinc/93/59/69/1064935969.db2.gz ZFFCLJLPWGYLFW-YJBOKZPZSA-N 0 0 450.988 4.809 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435691072 1064937154 /nfs/dbraw/zinc/93/71/54/1064937154.db2.gz IMGQCVBJRVBIRI-BFUOFWGJSA-N 0 0 456.340 4.883 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001435691333 1064937167 /nfs/dbraw/zinc/93/71/67/1064937167.db2.gz PHEJTMLFQBBWMP-JPYJTQIMSA-N 0 0 456.583 4.755 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001360080213 1064937170 /nfs/dbraw/zinc/93/71/70/1064937170.db2.gz CNGSWTIFDWRSCM-AZUAARDMSA-N 0 0 490.077 4.894 20 0 JJADRN CC(C)CSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)(F)C1 ZINC001360080212 1064937232 /nfs/dbraw/zinc/93/72/32/1064937232.db2.gz CGAIEZHXPOUKNU-UHFFFAOYSA-N 0 0 462.408 4.906 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1 ZINC001360080197 1064937330 /nfs/dbraw/zinc/93/73/30/1064937330.db2.gz CBLBCRGWPFTFRH-UHFFFAOYSA-N 0 0 473.868 4.977 20 0 JJADRN CC(C)CSCCCn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C ZINC001360080161 1064937375 /nfs/dbraw/zinc/93/73/75/1064937375.db2.gz WLXRGTLWDGXFAD-FQEVSTJZSA-N 0 0 457.688 4.844 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001435691467 1064937847 /nfs/dbraw/zinc/93/78/47/1064937847.db2.gz KRGJZPOAQJSVCR-ZHRRBRCNSA-N 0 0 455.352 4.929 20 0 JJADRN CC(C)CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CCC2)C1 ZINC001360080274 1064937867 /nfs/dbraw/zinc/93/78/67/1064937867.db2.gz YARSUKVDLWPKSO-UHFFFAOYSA-N 0 0 464.626 4.933 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360080259 1064937898 /nfs/dbraw/zinc/93/78/98/1064937898.db2.gz XRCGNLHTHRCDQM-HBMCJLEFSA-N 0 0 495.734 4.689 20 0 JJADRN CC(C)CSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360080397 1064938358 /nfs/dbraw/zinc/93/83/58/1064938358.db2.gz GUCALALUUZGTSZ-UHFFFAOYSA-N 0 0 492.571 4.970 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001435692343 1064938846 /nfs/dbraw/zinc/93/88/46/1064938846.db2.gz ZZSRURGOPGDPCB-SFHVURJKSA-N 0 0 451.279 4.561 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Br)c2ccccc12 ZINC001435692037 1064939068 /nfs/dbraw/zinc/93/90/68/1064939068.db2.gz BILXCTFNVZGMBQ-UHFFFAOYSA-N 0 0 450.336 4.958 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2SCCc3ccccc32)CC1 ZINC001360081140 1064940214 /nfs/dbraw/zinc/94/02/14/1064940214.db2.gz BXBKXSCGUYEDEE-FQEVSTJZSA-N 0 0 459.409 4.657 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001360081084 1064940439 /nfs/dbraw/zinc/94/04/39/1064940439.db2.gz ZWLGSLJEYUNGCT-URXFXBBRSA-N 0 0 485.742 4.789 20 0 JJADRN C[C@]1(C(=O)Nc2cccc(OCc3cscn3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001360081816 1064940916 /nfs/dbraw/zinc/94/09/16/1064940916.db2.gz SENOYFYKXIYPBV-DEOSSOPVSA-N 0 0 451.548 4.709 20 0 JJADRN C[C@@]1(C(=O)Nc2cccc(OCc3cscn3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001360081817 1064940987 /nfs/dbraw/zinc/94/09/87/1064940987.db2.gz SENOYFYKXIYPBV-XMMPIXPASA-N 0 0 451.548 4.709 20 0 JJADRN Cc1cc(F)c(NC(=O)c2cnn(-c3ccccc3Cl)c2)c(I)c1 ZINC001435694090 1064940855 /nfs/dbraw/zinc/94/08/55/1064940855.db2.gz PHUDZRLVDBKBQT-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)o2)cc1 ZINC001435694471 1064941357 /nfs/dbraw/zinc/94/13/57/1064941357.db2.gz KSFIHFFQDZWWLI-XMMPIXPASA-N 0 0 450.535 4.557 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001435694614 1064941395 /nfs/dbraw/zinc/94/13/95/1064941395.db2.gz USZORXBDWQKMCI-UHFFFAOYSA-N 0 0 456.421 4.693 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC001360081894 1064941493 /nfs/dbraw/zinc/94/14/93/1064941493.db2.gz ULXITKURUAKDKP-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC001360082417 1064941569 /nfs/dbraw/zinc/94/15/69/1064941569.db2.gz ZUCMBEDXNZJNFX-UHFFFAOYSA-N 0 0 452.511 4.633 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)OCc1ccccc1 ZINC001435694568 1064941494 /nfs/dbraw/zinc/94/14/94/1064941494.db2.gz NJKZDUYTUDHOHT-HXUWFJFHSA-N 0 0 459.468 4.779 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Br)c4ccccc34)CC(=O)N2C)cc1 ZINC001435694219 1064941508 /nfs/dbraw/zinc/94/15/08/1064941508.db2.gz XCYYWDUVKKGRDS-XMSQKQJNSA-N 0 0 453.336 4.769 20 0 JJADRN CCc1c(C(=O)N2CCc3cc(Br)cc(C)c3C2)nnn1-c1cccc(Cl)c1 ZINC001435695662 1064942084 /nfs/dbraw/zinc/94/20/84/1064942084.db2.gz FSKKCMGRHKGDHD-UHFFFAOYSA-N 0 0 459.775 4.753 20 0 JJADRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001360082481 1064942194 /nfs/dbraw/zinc/94/21/94/1064942194.db2.gz CBAPDZQVYXFIDK-LJQANCHMSA-N 0 0 455.632 4.620 20 0 JJADRN Cc1nnc(N(CCC(C)C)C(=O)CCCCN2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC001435696178 1064942699 /nfs/dbraw/zinc/94/26/99/1064942699.db2.gz BTOKJWQEIUHCSF-UHFFFAOYSA-N 0 0 458.562 4.784 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001360082847 1064942920 /nfs/dbraw/zinc/94/29/20/1064942920.db2.gz NYWBJVDYSORLHD-PMACEKPBSA-N 0 0 469.026 4.511 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001435697171 1064943343 /nfs/dbraw/zinc/94/33/43/1064943343.db2.gz OPUPBOBMSZNOCT-SBUREZEXSA-N 0 0 455.549 4.893 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001435697173 1064943397 /nfs/dbraw/zinc/94/33/97/1064943397.db2.gz OPUPBOBMSZNOCT-UZUQRXQVSA-N 0 0 455.549 4.893 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)Cc1ccccc1OCc1ccncc1)CC2 ZINC001435697022 1064943470 /nfs/dbraw/zinc/94/34/70/1064943470.db2.gz PWCSSHZHAORFGT-UHFFFAOYSA-N 0 0 451.364 4.859 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360082931 1064943517 /nfs/dbraw/zinc/94/35/17/1064943517.db2.gz QMNGKWIGDFFHJH-HXUWFJFHSA-N 0 0 492.011 4.912 20 0 JJADRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001360082873 1064943604 /nfs/dbraw/zinc/94/36/04/1064943604.db2.gz OPTGVJFYOQPECK-UHFFFAOYSA-N 0 0 492.480 4.758 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccccc1Nc1c(F)cccc1F ZINC001435697873 1064943976 /nfs/dbraw/zinc/94/39/76/1064943976.db2.gz WDCAIVHGULZAKU-UHFFFAOYSA-N 0 0 452.429 4.886 20 0 JJADRN Cc1nnc(N(CCC(C)C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c2ccccc12 ZINC001435697426 1064944068 /nfs/dbraw/zinc/94/40/68/1064944068.db2.gz MHJRWOMUDNVSFG-UHFFFAOYSA-N 0 0 452.942 4.969 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)cc1 ZINC001435698754 1064944610 /nfs/dbraw/zinc/94/46/10/1064944610.db2.gz FOASFALRCPQBKP-WMZHIEFXSA-N 0 0 450.579 4.727 20 0 JJADRN CC(C)CSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccccc1F ZINC001360083589 1064945294 /nfs/dbraw/zinc/94/52/94/1064945294.db2.gz LNEDSJVLTQGCTO-MRXNPFEDSA-N 0 0 459.591 4.732 20 0 JJADRN CC(C)CSCCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360083598 1064945874 /nfs/dbraw/zinc/94/58/74/1064945874.db2.gz LYEKEWPDEWUCCO-GOSISDBHSA-N 0 0 484.670 4.919 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001360083887 1064945945 /nfs/dbraw/zinc/94/59/45/1064945945.db2.gz AJRAAONIKWDTOH-LYASGUKUSA-N 0 0 459.736 4.868 20 0 JJADRN CCCCn1cc(CNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c(C)n1 ZINC001435700646 1064946251 /nfs/dbraw/zinc/94/62/51/1064946251.db2.gz KLFDUPJYMCOBEN-UHFFFAOYSA-N 0 0 450.967 4.931 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)nn1-c1cccc(F)c1 ZINC001435700839 1064947010 /nfs/dbraw/zinc/94/70/10/1064947010.db2.gz VNQRLBMKFAXHBA-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)co1 ZINC001435703306 1064947348 /nfs/dbraw/zinc/94/73/48/1064947348.db2.gz 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454.526 4.915 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)CCC2 ZINC001435741984 1064966905 /nfs/dbraw/zinc/96/69/05/1064966905.db2.gz ZNLGXJXBWMKGES-DLBZAZTESA-N 0 0 452.389 4.564 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)N(C(=O)OCc2ccccc2)C1 ZINC001435744255 1064968084 /nfs/dbraw/zinc/96/80/84/1064968084.db2.gz BDEHWSUCRPZMDA-RLLQIKCJSA-N 0 0 459.612 4.520 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001435744201 1064968134 /nfs/dbraw/zinc/96/81/34/1064968134.db2.gz AIKDXHRLERUXDD-WOJBJXKFSA-N 0 0 459.974 4.713 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001435744189 1064968177 /nfs/dbraw/zinc/96/81/77/1064968177.db2.gz AIKDXHRLERUXDD-UXHICEINSA-N 0 0 459.974 4.713 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC001435744562 1064968818 /nfs/dbraw/zinc/96/88/18/1064968818.db2.gz BDDHFJMIFJECAQ-LEWJYISDSA-N 0 0 456.011 4.882 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001435744569 1064969287 /nfs/dbraw/zinc/96/92/87/1064969287.db2.gz BDDHFJMIFJECAQ-RTWAWAEBSA-N 0 0 456.011 4.882 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745636 1064969755 /nfs/dbraw/zinc/96/97/55/1064969755.db2.gz FFBUBPXNHFXXFV-IZZBFERCSA-N 0 0 453.797 4.938 20 0 JJADRN O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1sccc1-c1ccccc1 ZINC001435746881 1064970603 /nfs/dbraw/zinc/97/06/03/1064970603.db2.gz NFPFMFPBLXBKCZ-UHFFFAOYSA-N 0 0 458.580 4.527 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435746735 1064970630 /nfs/dbraw/zinc/97/06/30/1064970630.db2.gz HWBDIFWQJSPXRO-ACJLOTCBSA-N 0 0 459.871 4.714 20 0 JJADRN CCc1noc(C)c1C(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC001435746450 1064970801 /nfs/dbraw/zinc/97/08/01/1064970801.db2.gz PBPMPDXCNOKQAV-UHFFFAOYSA-N 0 0 459.340 4.826 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360097096 1064972905 /nfs/dbraw/zinc/97/29/05/1064972905.db2.gz VRQFSUVHMKOIRS-OAHLLOKOSA-N 0 0 459.346 4.892 20 0 JJADRN COc1ccc(Cl)cc1N(C)C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001360096887 1064973276 /nfs/dbraw/zinc/97/32/76/1064973276.db2.gz OAPKXLIMMGTEOT-GFCCVEGCSA-N 0 0 452.001 4.960 20 0 JJADRN C[C@H](Oc1ccccc1F)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001435750223 1064974574 /nfs/dbraw/zinc/97/45/74/1064974574.db2.gz KHSZSGKXHFXGAX-JTQLQIEISA-N 0 0 451.119 4.858 20 0 JJADRN Cc1ccc(CC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)c(Cl)n1 ZINC001435750184 1064974617 /nfs/dbraw/zinc/97/46/17/1064974617.db2.gz JWGWZDTXNYXFFU-UHFFFAOYSA-N 0 0 452.563 4.850 20 0 JJADRN CC(C)c1c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccn1 ZINC001435751865 1064976036 /nfs/dbraw/zinc/97/60/36/1064976036.db2.gz ZTEOMFXGVVKNKI-GAJHUEQPSA-N 0 0 455.965 4.606 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001435751782 1064976526 /nfs/dbraw/zinc/97/65/26/1064976526.db2.gz SSPUNCFULJAPDF-DUXPYHPUSA-N 0 0 459.123 4.693 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)ccc1OC ZINC001435752675 1064977063 /nfs/dbraw/zinc/97/70/63/1064977063.db2.gz MZMCOENFNILWDR-UHFFFAOYSA-N 0 0 458.624 4.937 20 0 JJADRN CCCc1sc(C(=O)N2CC(=O)Nc3ccc(Br)cc32)cc1Br ZINC001435753401 1064977562 /nfs/dbraw/zinc/97/75/62/1064977562.db2.gz SDTZHFSFWRRNNS-UHFFFAOYSA-N 0 0 458.175 4.825 20 0 JJADRN COC(=O)Cc1cccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 ZINC001360099331 1064977908 /nfs/dbraw/zinc/97/79/08/1064977908.db2.gz CVJNVZOXIYGZAO-UHFFFAOYSA-N 0 0 458.301 4.609 20 0 JJADRN CC(C)C[C@H](C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001435754531 1064978285 /nfs/dbraw/zinc/97/82/85/1064978285.db2.gz VUQUEHSLFIOERT-RJGXRXQPSA-N 0 0 452.639 4.744 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC001435757020 1064978745 /nfs/dbraw/zinc/97/87/45/1064978745.db2.gz LUEWKLWBEMVWEH-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3ccc(C(F)(F)F)nc3)cc2Br)on1 ZINC001435755756 1064978928 /nfs/dbraw/zinc/97/89/28/1064978928.db2.gz XSMWDLJBCZHITI-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)cc1OC ZINC001360100388 1064980281 /nfs/dbraw/zinc/98/02/81/1064980281.db2.gz ZXWNLJDBHWSTIW-ZDUSSCGKSA-N 0 0 451.420 4.847 20 0 JJADRN O=C(O[C@@H]1CCc2c1cc(Cl)cc2Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001435760071 1064980395 /nfs/dbraw/zinc/98/03/95/1064980395.db2.gz MQANHRQFQJPTOV-VQTJNVASSA-N 0 0 454.375 4.767 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001435760937 1064980739 /nfs/dbraw/zinc/98/07/39/1064980739.db2.gz ZMBKGVNMMXHYRH-LBPRGKRZSA-N 0 0 453.536 4.804 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)COCCOc2ccccc2)cc1 ZINC001435762390 1064981124 /nfs/dbraw/zinc/98/11/24/1064981124.db2.gz LXEDXZPFMLHMLR-UHFFFAOYSA-N 0 0 455.558 4.930 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2(c3ccccc3OC)CCCCC2)c1 ZINC001435762625 1064981163 /nfs/dbraw/zinc/98/11/63/1064981163.db2.gz CQJOOSDRWJTJMO-IBGZPJMESA-N 0 0 458.624 4.754 20 0 JJADRN CC(C)c1cc(Br)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC001435765795 1064982181 /nfs/dbraw/zinc/98/21/81/1064982181.db2.gz SPVJQTDHAXIVHD-UHFFFAOYSA-N 0 0 453.402 4.854 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cccc(C)c1I)c1ccccn1 ZINC001435766937 1064982789 /nfs/dbraw/zinc/98/27/89/1064982789.db2.gz BLOWUZQOVHYHOR-FQEVSTJZSA-N 0 0 458.299 4.523 20 0 JJADRN C[C@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(F)cc1OC(F)F ZINC001435767548 1064982943 /nfs/dbraw/zinc/98/29/43/1064982943.db2.gz WFSCTHLVIAJLJX-NSHDSACASA-N 0 0 450.438 4.699 20 0 JJADRN CC(C)(C)[C@H]1C[C@H](NC(=O)CCc2cc(Br)c(Br)s2)CCO1 ZINC001435767342 1064983050 /nfs/dbraw/zinc/98/30/50/1064983050.db2.gz RAMXSOHLAONLLX-ZWNOBZJWSA-N 0 0 453.240 4.916 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001435766931 1064983101 /nfs/dbraw/zinc/98/31/01/1064983101.db2.gz VCHFSHFJYQVWIL-BOUXLOLZSA-N 0 0 452.979 4.829 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H]4CCO[C@H](C(C)(C)C)C4)c(=O)c23)cc1 ZINC001435768181 1064983476 /nfs/dbraw/zinc/98/34/76/1064983476.db2.gz URHSHZQUJKITAF-QUCCMNQESA-N 0 0 453.608 4.533 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)s1 ZINC001435768874 1064984265 /nfs/dbraw/zinc/98/42/65/1064984265.db2.gz ZBYFULUEDMFFOM-GUYCJALGSA-N 0 0 453.402 4.905 20 0 JJADRN CC(C)[C@@H](OC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)c1cccc(C(F)(F)F)c1 ZINC001435770065 1064984694 /nfs/dbraw/zinc/98/46/94/1064984694.db2.gz MYRCNDRSWFJPOO-IEBWSBKVSA-N 0 0 457.489 4.526 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(F)cc1OC(F)F ZINC001435770839 1064985219 /nfs/dbraw/zinc/98/52/19/1064985219.db2.gz MGQSEIDDRAFOCA-MRVPVSSYSA-N 0 0 453.173 4.662 20 0 JJADRN O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1)Nc1ccc(Cl)cc1 ZINC001435773178 1064986098 /nfs/dbraw/zinc/98/60/98/1064986098.db2.gz JPXAUUJIKBUJKC-UHFFFAOYSA-N 0 0 457.958 4.604 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(C)nc2cc(F)ccc21)c1ccc(Br)cc1 ZINC001435774173 1064986486 /nfs/dbraw/zinc/98/64/86/1064986486.db2.gz BNYLVYTXKWQOCR-IBGZPJMESA-N 0 0 459.315 4.869 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)c4cnc(C(=O)OC(C)(C)C)cn4)cc32)c1 ZINC001435775278 1064986603 /nfs/dbraw/zinc/98/66/03/1064986603.db2.gz CLKFFCNJERXPEA-UHFFFAOYSA-N 0 0 458.518 4.696 20 0 JJADRN CCCCCn1cc(CNC(=O)c2cc(C)c(Cl)cc2I)c(C)n1 ZINC001435774996 1064986772 /nfs/dbraw/zinc/98/67/72/1064986772.db2.gz BDQAFRUQGBKXAK-UHFFFAOYSA-N 0 0 459.759 4.878 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)n1 ZINC001435775402 1064986789 /nfs/dbraw/zinc/98/67/89/1064986789.db2.gz GZXXZNCBNKUBBP-UHFFFAOYSA-N 0 0 455.356 4.583 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001360106115 1064987205 /nfs/dbraw/zinc/98/72/05/1064987205.db2.gz SESTWDWLYZGKNB-GOSISDBHSA-N 0 0 453.365 4.805 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)cn1 ZINC001435776516 1064987248 /nfs/dbraw/zinc/98/72/48/1064987248.db2.gz KLWMCAJLRHJJGH-UHFFFAOYSA-N 0 0 453.365 4.903 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)ccc1C(=O)OC(C)(C)C ZINC001435778597 1064987826 /nfs/dbraw/zinc/98/78/26/1064987826.db2.gz LUOBNCFGMVYVFR-INIZCTEOSA-N 0 0 459.340 4.777 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001435777641 1064988008 /nfs/dbraw/zinc/98/80/08/1064988008.db2.gz YZDGGVFKRYAHJT-UHFFFAOYSA-N 0 0 459.370 4.579 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@]4(C)CCN(C(=O)OC(C)(C)C)C4)cc3)ccc2O1 ZINC001435779235 1064988302 /nfs/dbraw/zinc/98/83/02/1064988302.db2.gz BGFJSLGAFUVURB-XRHLQHRESA-N 0 0 450.579 4.940 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CCCOc1cccc(F)c1)c1ccc(Br)cc1 ZINC001435779588 1064988333 /nfs/dbraw/zinc/98/83/33/1064988333.db2.gz VLIBWBAECZXTLH-IBGZPJMESA-N 0 0 452.320 4.558 20 0 JJADRN COc1ccc(OC)c(CCCNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)c1 ZINC001435780644 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CCCCCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(Br)cc1 ZINC001435822968 1065009796 /nfs/dbraw/zinc/00/97/96/1065009796.db2.gz XISMNYBGENVCKK-GOSISDBHSA-N 0 0 458.400 4.806 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2ccncc2)n1Cc1cccnc1OCC(F)(F)F ZINC001360121520 1065010442 /nfs/dbraw/zinc/01/04/42/1065010442.db2.gz XZUYMEPYBIEPGE-UHFFFAOYSA-N 0 0 486.498 4.656 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001360122226 1065010617 /nfs/dbraw/zinc/01/06/17/1065010617.db2.gz ACPVBSAXQWNGJG-HSZRJFAPSA-N 0 0 481.666 4.941 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1=O ZINC001360121676 1065010725 /nfs/dbraw/zinc/01/07/25/1065010725.db2.gz DSXMCBSYISPILL-WBVHZDCISA-N 0 0 452.555 4.773 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCCN(C)c1ccccc1F ZINC001360122284 1065011284 /nfs/dbraw/zinc/01/12/84/1065011284.db2.gz BKSFJCYBEAPXJJ-IBGZPJMESA-N 0 0 457.619 4.924 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cs1 ZINC001435827117 1065011286 /nfs/dbraw/zinc/01/12/86/1065011286.db2.gz JXFACMDVGXEMKQ-FXAWDEMLSA-N 0 0 451.386 4.516 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CCCn1cccn1 ZINC001360122332 1065011399 /nfs/dbraw/zinc/01/13/99/1065011399.db2.gz CQXDWHJVYSIJNH-UHFFFAOYSA-N 0 0 456.566 4.910 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cs1 ZINC001435827119 1065011324 /nfs/dbraw/zinc/01/13/24/1065011324.db2.gz JXFACMDVGXEMKQ-PXNSSMCTSA-N 0 0 451.386 4.516 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC001435826414 1065011480 /nfs/dbraw/zinc/01/14/80/1065011480.db2.gz FUENERRHALQIHE-SOFGYWHQSA-N 0 0 457.958 4.769 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ncc(-c3ccccc3Br)o1)CCO2 ZINC001435825838 1065011497 /nfs/dbraw/zinc/01/14/97/1065011497.db2.gz BIIWLHJARGVZCB-SFHVURJKSA-N 0 0 457.324 4.685 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001545893587 1065012384 /nfs/dbraw/zinc/01/23/84/1065012384.db2.gz CUPBZPXIUGOSLI-PZJWPPBQSA-N 0 0 492.709 4.618 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001435828620 1065012588 /nfs/dbraw/zinc/01/25/88/1065012588.db2.gz WKDJPWUZTWONCD-HNNXBMFYSA-N 0 0 458.331 4.632 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C ZINC001360122923 1065012814 /nfs/dbraw/zinc/01/28/14/1065012814.db2.gz SXHPBFCAPPRQOB-UHFFFAOYSA-N 0 0 489.711 4.611 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccccn2)n1CCCn1cc(Br)cn1 ZINC001360122973 1065012957 /nfs/dbraw/zinc/01/29/57/1065012957.db2.gz UWTBRNHUAOOCOY-UHFFFAOYSA-N 0 0 486.443 4.866 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1ccc2c(c1)CCCC2 ZINC001435829424 1065013283 /nfs/dbraw/zinc/01/32/83/1065013283.db2.gz FPGLBAPVKPKPJK-UFYCRDLUSA-N 0 0 454.636 4.723 20 0 JJADRN Cc1csc([C@H](C)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC001435834747 1065015482 /nfs/dbraw/zinc/01/54/82/1065015482.db2.gz ILWZORDLLNGGSW-ZMYBRWDISA-N 0 0 464.031 4.975 20 0 JJADRN CN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435835026 1065015563 /nfs/dbraw/zinc/01/55/63/1065015563.db2.gz QPJSBLSUDYZHGP-APWZRJJASA-N 0 0 456.739 4.999 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1nccc(C(F)F)n1 ZINC001360123960 1065015774 /nfs/dbraw/zinc/01/57/74/1065015774.db2.gz QWGGUBPFKNWCCL-UHFFFAOYSA-N 0 0 455.538 4.516 20 0 JJADRN CC1CCC(OCC(=O)Oc2ccc(I)c(Br)c2)CC1 ZINC001435835653 1065015882 /nfs/dbraw/zinc/01/58/82/1065015882.db2.gz GQJFNIJSYBOKBK-UHFFFAOYSA-N 0 0 453.114 4.554 20 0 JJADRN COC(=O)C[C@]1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCOC1 ZINC001435835476 1065015972 /nfs/dbraw/zinc/01/59/72/1065015972.db2.gz WWEKCVDJXLPQLR-OAQYLSRUSA-N 0 0 454.375 4.738 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001360124071 1065016327 /nfs/dbraw/zinc/01/63/27/1065016327.db2.gz UMBVCWGFFXOTMO-MGBGTMOVSA-N 0 0 479.675 4.667 20 0 JJADRN CCc1c(C(=O)N2CCc3c(Br)ccc(F)c3C2)cnn1-c1ccccc1OC ZINC001435837256 1065016463 /nfs/dbraw/zinc/01/64/63/1065016463.db2.gz QZESYHCIGMZJLL-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)CC2CCC3(CC2)OCCO3)c1 ZINC001435838270 1065016797 /nfs/dbraw/zinc/01/67/97/1065016797.db2.gz ZALBSACYTZVTIQ-UHFFFAOYSA-N 0 0 454.361 4.666 20 0 JJADRN COC1CCC(CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001435837779 1065016840 /nfs/dbraw/zinc/01/68/40/1065016840.db2.gz MXONWVAKDOUPKB-HVXYMJQESA-N 0 0 452.998 4.879 20 0 JJADRN O=C(Oc1ccc(I)c(Br)c1)c1ccc2ccncc2c1 ZINC001435837921 1065016913 /nfs/dbraw/zinc/01/69/13/1065016913.db2.gz WCTYYCAPEFFNPZ-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc3c(ccnc3Cl)s2)c1 ZINC001360124964 1065017061 /nfs/dbraw/zinc/01/70/61/1065017061.db2.gz SHFPDMBPCKMYIQ-UHFFFAOYSA-N 0 0 450.951 4.694 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)CCCC2)c1 ZINC001435838279 1065017211 /nfs/dbraw/zinc/01/72/11/1065017211.db2.gz ZCNYCGDFPDRVFH-FGZHOGPDSA-N 0 0 459.583 4.566 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)N[C@H](CC(F)(F)F)c3cccc(C(F)(F)F)c3)cnc12 ZINC001435841772 1065018759 /nfs/dbraw/zinc/01/87/59/1065018759.db2.gz RLPXEYZVSYVFRU-MRXNPFEDSA-N 0 0 457.374 4.534 20 0 JJADRN O=C(CCS(=O)(=O)c1cccc(Br)c1)Nc1cccc(C(F)F)c1Cl ZINC001435841432 1065018782 /nfs/dbraw/zinc/01/87/82/1065018782.db2.gz NHRZCRQCETUMKF-UHFFFAOYSA-N 0 0 452.704 4.843 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC001435841626 1065018803 /nfs/dbraw/zinc/01/88/03/1065018803.db2.gz MFUXARMEHNHYDX-UHFFFAOYSA-N 0 0 457.250 4.980 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)nc3n2CCC3)cc1 ZINC001435841577 1065018842 /nfs/dbraw/zinc/01/88/42/1065018842.db2.gz KNXZLSVLIUGPOP-AWEZNQCLSA-N 0 0 457.452 4.987 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)OCc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC001435842278 1065019296 /nfs/dbraw/zinc/01/92/96/1065019296.db2.gz DWSJYMCNVNCFGH-LJQANCHMSA-N 0 0 453.564 4.667 20 0 JJADRN Cc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(Br)n1 ZINC001435842936 1065019472 /nfs/dbraw/zinc/01/94/72/1065019472.db2.gz HDMPOJABKAPMDD-AWEZNQCLSA-N 0 0 458.139 4.670 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2csc(-c3ccncc3)n2)cc1 ZINC001435843415 1065020023 /nfs/dbraw/zinc/02/00/23/1065020023.db2.gz OJZDLEMKGFOCTP-GOSISDBHSA-N 0 0 452.605 4.656 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOc3ncc(Br)cc32)cc1 ZINC001435845334 1065020330 /nfs/dbraw/zinc/02/03/30/1065020330.db2.gz ILQKRPAFVWJZEX-UHFFFAOYSA-N 0 0 453.296 4.527 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccc(SCc3ccccc3)cc1)C2=O ZINC001435844560 1065020526 /nfs/dbraw/zinc/02/05/26/1065020526.db2.gz AUKAZHBZZOTFGR-CJAUYULYSA-N 0 0 452.576 4.523 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H]3CCN(c4ccccc4OC(F)F)C3)c2)c(C)c1 ZINC001360126537 1065020729 /nfs/dbraw/zinc/02/07/29/1065020729.db2.gz AGGYOTZDHGHBKK-IBGZPJMESA-N 0 0 453.489 4.676 20 0 JJADRN Cc1cnc([C@H](C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)s1 ZINC001435845745 1065020768 /nfs/dbraw/zinc/02/07/68/1065020768.db2.gz MARBJLOIJZVBKJ-WBMJQRKESA-N 0 0 457.518 4.956 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@@H](C)c3ncc(C)s3)cc2Br)on1 ZINC001435846807 1065020876 /nfs/dbraw/zinc/02/08/76/1065020876.db2.gz XCXCQOVKVHIFFI-LLVKDONJSA-N 0 0 450.358 4.623 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3Oc3cccnc3)nc12 ZINC001435847199 1065021126 /nfs/dbraw/zinc/02/11/26/1065021126.db2.gz CRUXKXUVZGKARW-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545893716 1065021481 /nfs/dbraw/zinc/02/14/81/1065021481.db2.gz GHZNFIOIBWNYFL-HXUWFJFHSA-N 0 0 459.610 4.820 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CSC)c2)cc1 ZINC001435847491 1065021580 /nfs/dbraw/zinc/02/15/80/1065021580.db2.gz GBVXCCHEUMIQBZ-UHFFFAOYSA-N 0 0 456.589 4.636 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)Nc2sc3c(c2C(=O)c2ccc(C)c(F)c2)CCC3)c1 ZINC001435849956 1065022617 /nfs/dbraw/zinc/02/26/17/1065022617.db2.gz AWUDUHPAUICCHP-HJWRWDBZSA-N 0 0 453.491 4.947 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccncc2)c1 ZINC001435851969 1065023703 /nfs/dbraw/zinc/02/37/03/1065023703.db2.gz IJLBEKOICMSYGY-XLGIIRLISA-N 0 0 452.551 4.760 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)c2)no1 ZINC001435852246 1065024315 /nfs/dbraw/zinc/02/43/15/1065024315.db2.gz UCHFYUBOBYDKCG-QGZVFWFLSA-N 0 0 457.355 4.592 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2nc(NCc3ccco3)ncc2Cl)c2ccncc2)c1 ZINC001435853058 1065025051 /nfs/dbraw/zinc/02/50/51/1065025051.db2.gz RJYDYJRVNKILBX-NRFANRHFSA-N 0 0 450.882 4.685 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1nc(-c2c(F)cccc2F)cs1 ZINC001435853553 1065025116 /nfs/dbraw/zinc/02/51/16/1065025116.db2.gz VYMMJMHIZCASRG-UHFFFAOYSA-N 0 0 457.907 4.649 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(Br)nc(Br)c1)[C@H]2C ZINC001435853087 1065025145 /nfs/dbraw/zinc/02/51/45/1065025145.db2.gz HXZZFUIBKDOTRL-QWRGUYRKSA-N 0 0 454.162 4.763 20 0 JJADRN CC(C)c1cnc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 ZINC001435854211 1065025509 /nfs/dbraw/zinc/02/55/09/1065025509.db2.gz CAESYCOEMSHQET-UHFFFAOYSA-N 0 0 450.626 4.507 20 0 JJADRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435856200 1065026936 /nfs/dbraw/zinc/02/69/36/1065026936.db2.gz VGESNLUAOLCOHB-SJORKVTESA-N 0 0 450.295 4.709 20 0 JJADRN Cc1cc(C)n(CCCC(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)n1 ZINC001435855798 1065027016 /nfs/dbraw/zinc/02/70/16/1065027016.db2.gz PGKRTNHTAWZCNX-UHFFFAOYSA-N 0 0 450.608 4.508 20 0 JJADRN CN(CC(=O)N(Cc1ccccc1Cl)C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001360133257 1065028124 /nfs/dbraw/zinc/02/81/24/1065028124.db2.gz XHLGGWCGVJVBMX-UHFFFAOYSA-N 0 0 455.407 4.585 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cc2ccccc2n1CC(F)(F)F ZINC001435857510 1065028302 /nfs/dbraw/zinc/02/83/02/1065028302.db2.gz UXKTUHONGMXWII-UHFFFAOYSA-N 0 0 451.876 4.942 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c(-c2ccc(Cl)s2)n1 ZINC001435857113 1065028316 /nfs/dbraw/zinc/02/83/16/1065028316.db2.gz CPFGZIRHQWNYRK-UHFFFAOYSA-N 0 0 451.379 4.540 20 0 JJADRN CC(C)[C@H]1CCC[C@H](NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001360133341 1065028766 /nfs/dbraw/zinc/02/87/66/1065028766.db2.gz YIBKMJOGFIGQQH-JSGCOSHPSA-N 0 0 459.310 4.993 20 0 JJADRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001360133340 1065028895 /nfs/dbraw/zinc/02/88/95/1065028895.db2.gz YIBKMJOGFIGQQH-GXTWGEPZSA-N 0 0 459.310 4.993 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC001360133923 1065029492 /nfs/dbraw/zinc/02/94/92/1065029492.db2.gz HEYNPTSZFHIFNJ-UHFFFAOYSA-N 0 0 456.589 4.672 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3ccsc3C(F)(F)F)c12 ZINC001435861147 1065029968 /nfs/dbraw/zinc/02/99/68/1065029968.db2.gz MDVGOZZCCHZTDN-YVACAVLKSA-N 0 0 450.486 4.959 20 0 JJADRN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001435861585 1065030047 /nfs/dbraw/zinc/03/00/47/1065030047.db2.gz CTBOMVFGBFHCHH-UHFFFAOYSA-N 0 0 451.901 4.839 20 0 JJADRN CC(=O)NC1CCC(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC001435861709 1065030124 /nfs/dbraw/zinc/03/01/24/1065030124.db2.gz DZZNACWZFWQGFB-UHFFFAOYSA-N 0 0 450.970 4.712 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1C[C@@H](C)CSc2ccc(Cl)cc21 ZINC001435862096 1065030160 /nfs/dbraw/zinc/03/01/60/1065030160.db2.gz HTZFKLRALKBGPA-CYBMUJFWSA-N 0 0 456.015 4.867 20 0 JJADRN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001435863567 1065031080 /nfs/dbraw/zinc/03/10/80/1065031080.db2.gz VOWIXUUUNQRHBP-UHFFFAOYSA-N 0 0 451.395 4.814 20 0 JJADRN CCOc1cnc(C(=O)Nc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)cn1 ZINC001435863799 1065031139 /nfs/dbraw/zinc/03/11/39/1065031139.db2.gz XDCTWZRDYRVEPR-UHFFFAOYSA-N 0 0 451.321 4.546 20 0 JJADRN COCc1ncc(C(=O)Nc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)s1 ZINC001435863855 1065031164 /nfs/dbraw/zinc/03/11/64/1065031164.db2.gz XPXGUQINRSBFRF-UHFFFAOYSA-N 0 0 456.362 4.960 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864414 1065031549 /nfs/dbraw/zinc/03/15/49/1065031549.db2.gz IERFHAVIXYSTOQ-SJLPKXTDSA-N 0 0 458.402 4.930 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC001435864494 1065031662 /nfs/dbraw/zinc/03/16/62/1065031662.db2.gz KJDOSFQPTWZEIT-UHFFFAOYSA-N 0 0 455.349 4.773 20 0 JJADRN O=C(COc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCC2)Nc1ccccc1F ZINC001435864526 1065031712 /nfs/dbraw/zinc/03/17/12/1065031712.db2.gz LSDFVSHHCFGQAA-UHFFFAOYSA-N 0 0 455.869 4.789 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(Br)cc1 ZINC001360135275 1065031514 /nfs/dbraw/zinc/03/15/14/1065031514.db2.gz XMFPIBIQTHHWQU-QFIPXVFZSA-N 0 0 451.364 4.669 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001435865952 1065033020 /nfs/dbraw/zinc/03/30/20/1065033020.db2.gz OOAHHABFXBBNGR-UHFFFAOYSA-N 0 0 453.300 4.591 20 0 JJADRN CCOc1cc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)ccc1OCCOc1ccccc1 ZINC001435866255 1065033812 /nfs/dbraw/zinc/03/38/12/1065033812.db2.gz SHMPOQRSVPWYJF-FQEVSTJZSA-N 0 0 455.457 4.685 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2s1)c1cccnc1OCC(F)(F)F ZINC001435867795 1065034703 /nfs/dbraw/zinc/03/47/03/1065034703.db2.gz AIRXWRSCEZRJMR-UHFFFAOYSA-N 0 0 450.211 4.786 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)Nc3ccc(OCCNC(=O)OC(C)(C)C)cc3)c2nc1C ZINC001435867634 1065034859 /nfs/dbraw/zinc/03/48/59/1065034859.db2.gz ACEZOEBAZKHKMZ-UHFFFAOYSA-N 0 0 454.502 4.542 20 0 JJADRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCCC3)cc1N1CCOCC1 ZINC001435868045 1065034902 /nfs/dbraw/zinc/03/49/02/1065034902.db2.gz JHLPEKDQPUIPRP-UHFFFAOYSA-N 0 0 456.608 4.980 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2cccc(I)c2C)CCN1C(=O)OC(C)(C)C ZINC001435870506 1065035784 /nfs/dbraw/zinc/03/57/84/1065035784.db2.gz RTJBCJYTEQSRKM-BBRMVZONSA-N 0 0 458.340 4.574 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435870841 1065036063 /nfs/dbraw/zinc/03/60/63/1065036063.db2.gz SCHUXXFKABSUAU-STAYPELNSA-N 0 0 451.611 4.875 20 0 JJADRN Cc1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cnc(Cl)c1Br ZINC001435870598 1065036147 /nfs/dbraw/zinc/03/61/47/1065036147.db2.gz SAIAYHPQAOJQCX-UHFFFAOYSA-N 0 0 457.712 4.726 20 0 JJADRN Cc1c(Br)cc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c(=O)n1C ZINC001435870613 1065036179 /nfs/dbraw/zinc/03/61/79/1065036179.db2.gz BITZFFYXYNLMBZ-UHFFFAOYSA-N 0 0 457.290 4.674 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cc2C1 ZINC001435871537 1065036566 /nfs/dbraw/zinc/03/65/66/1065036566.db2.gz OHRHBIJGZNDYBB-OAQYLSRUSA-N 0 0 450.535 4.922 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(F)c(Cl)nc3Cl)CC2)no1 ZINC001435872175 1065036759 /nfs/dbraw/zinc/03/67/59/1065036759.db2.gz MFAOVQRXRGQRHI-UHFFFAOYSA-N 0 0 451.285 4.606 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1 ZINC001435872731 1065037070 /nfs/dbraw/zinc/03/70/70/1065037070.db2.gz SLYQWMLPUBRSNH-UHFFFAOYSA-N 0 0 457.474 4.849 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435874382 1065037688 /nfs/dbraw/zinc/03/76/88/1065037688.db2.gz XXDWWZLLCWXQQU-QGZVFWFLSA-N 0 0 450.526 4.952 20 0 JJADRN CCOc1ccc(OCCCC(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001360141335 1065039762 /nfs/dbraw/zinc/03/97/62/1065039762.db2.gz ISHWQVFMLAXPQZ-NRFANRHFSA-N 0 0 454.350 4.924 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)CC1=O ZINC001435879950 1065041034 /nfs/dbraw/zinc/04/10/34/1065041034.db2.gz SMPFSXIJDCSLOT-QHCPKHFHSA-N 0 0 458.558 4.560 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C)c(Br)s2)cc(Br)c1F ZINC001435881355 1065041790 /nfs/dbraw/zinc/04/17/90/1065041790.db2.gz TVOZMSMEOIKJTM-UHFFFAOYSA-N 0 0 451.111 4.760 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001360142276 1065042348 /nfs/dbraw/zinc/04/23/48/1065042348.db2.gz RPTSNOLQRGXQPL-KRWDZBQOSA-N 0 0 459.370 4.503 20 0 JJADRN Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c12 ZINC001435881955 1065042468 /nfs/dbraw/zinc/04/24/68/1065042468.db2.gz NDLLBEDJWSHINF-UHFFFAOYSA-N 0 0 451.571 4.930 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)COc1ccc(F)cc1F)C1CC1 ZINC001435881694 1065042529 /nfs/dbraw/zinc/04/25/29/1065042529.db2.gz LRHUZLFKWZOWFN-FQEVSTJZSA-N 0 0 458.288 4.946 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)Cc1c(F)ccc(Br)c1F ZINC001435882902 1065043015 /nfs/dbraw/zinc/04/30/15/1065043015.db2.gz GLAYOSDGWLRPAU-UHFFFAOYSA-N 0 0 451.080 4.830 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001435881972 1065043057 /nfs/dbraw/zinc/04/30/57/1065043057.db2.gz FYBYPUZBUBNXDL-OAHLLOKOSA-N 0 0 459.377 4.660 20 0 JJADRN CCCN1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c2ccc(F)cc21 ZINC001435884070 1065043289 /nfs/dbraw/zinc/04/32/89/1065043289.db2.gz QTDQAWHFLOHIRF-UHFFFAOYSA-N 0 0 458.599 4.792 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCN(CCC)c3cc(F)ccc32)c2ccccc2c1=O ZINC001435883320 1065043352 /nfs/dbraw/zinc/04/33/52/1065043352.db2.gz NNHREBGOHCHDAC-UHFFFAOYSA-N 0 0 450.558 4.993 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCc1ccc(I)c(Cl)c1 ZINC001435885686 1065043787 /nfs/dbraw/zinc/04/37/87/1065043787.db2.gz WLCORHYMBMBADB-SECBINFHSA-N 0 0 452.622 4.734 20 0 JJADRN Cc1c2ccccc2oc1[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001435886240 1065044610 /nfs/dbraw/zinc/04/46/10/1065044610.db2.gz XBGMMIPYBMNTFH-ZAMGYDSWSA-N 0 0 458.873 4.605 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)c3c(C)onc3-c3cccc(Br)c3)cc2)nn1 ZINC001435887227 1065045085 /nfs/dbraw/zinc/04/50/85/1065045085.db2.gz PTZFPDDXTUWXTA-UHFFFAOYSA-N 0 0 453.296 4.910 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435888698 1065045402 /nfs/dbraw/zinc/04/54/02/1065045402.db2.gz HKQUZTWLOFWRCE-DLBZAZTESA-N 0 0 458.430 4.687 20 0 JJADRN CC(C)Oc1ccc(N(C)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001435888169 1065045506 /nfs/dbraw/zinc/04/55/06/1065045506.db2.gz QNEPLLASKAJFQT-UHFFFAOYSA-N 0 0 459.384 4.752 20 0 JJADRN CC[C@H](CN(C)C(=O)CCCn1c(=O)oc2ccccc21)Oc1ccc(Cl)c(Cl)c1 ZINC001435888466 1065045611 /nfs/dbraw/zinc/04/56/11/1065045611.db2.gz CPLOGZSJTYJMCV-OAHLLOKOSA-N 0 0 451.350 4.998 20 0 JJADRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435889245 1065045937 /nfs/dbraw/zinc/04/59/37/1065045937.db2.gz HYZPMXWUKYGOLR-CYBMUJFWSA-N 0 0 455.362 4.894 20 0 JJADRN CC[C@@H](CN(C)C(=O)c1cccn(CC(F)(F)F)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC001435889587 1065046613 /nfs/dbraw/zinc/04/66/13/1065046613.db2.gz HWZUYGCLZJTCDK-LBPRGKRZSA-N 0 0 451.272 4.647 20 0 JJADRN CCCCNC(=O)c1c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)nc(C)n1C ZINC001435889784 1065047046 /nfs/dbraw/zinc/04/70/46/1065047046.db2.gz JTBFFBIEBBLYJW-UHFFFAOYSA-N 0 0 453.612 4.687 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC001435890005 1065047147 /nfs/dbraw/zinc/04/71/47/1065047147.db2.gz QVIXZPFQOTVQHE-ZDUSSCGKSA-N 0 0 450.379 4.889 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001360145782 1065047469 /nfs/dbraw/zinc/04/74/69/1065047469.db2.gz WNGROYTTZCDGFD-UHFFFAOYSA-N 0 0 455.498 4.870 20 0 JJADRN CC(C)[C@](C)(NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccc(Br)cc1 ZINC001435890598 1065047569 /nfs/dbraw/zinc/04/75/69/1065047569.db2.gz MGYMZIFJHJMROQ-DEOSSOPVSA-N 0 0 453.380 4.960 20 0 JJADRN CC(C)[C@@](C)(NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccc(Br)cc1 ZINC001435890600 1065047618 /nfs/dbraw/zinc/04/76/18/1065047618.db2.gz MGYMZIFJHJMROQ-XMMPIXPASA-N 0 0 453.380 4.960 20 0 JJADRN O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 ZINC001435890804 1065047932 /nfs/dbraw/zinc/04/79/32/1065047932.db2.gz SOQAXDCTBDZVNM-UHFFFAOYSA-N 0 0 456.424 4.528 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1 ZINC001435891005 1065048128 /nfs/dbraw/zinc/04/81/28/1065048128.db2.gz NWSCZRYFUCCIAQ-FQEVSTJZSA-N 0 0 450.938 4.582 20 0 JJADRN Cc1cc(Br)c(CC(=O)Oc2cc(F)cc(I)c2)s1 ZINC001435893212 1065049195 /nfs/dbraw/zinc/04/91/95/1065049195.db2.gz QMXFEULHRIEBPI-UHFFFAOYSA-N 0 0 455.086 4.711 20 0 JJADRN C/C(=C\c1ccccc1)CN(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001435892136 1065048578 /nfs/dbraw/zinc/04/85/78/1065048578.db2.gz SGURHVSMVKKTPH-DTQAZKPQSA-N 0 0 457.315 4.652 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2c(Cl)cccc2OC)[C@@H]1c1ccc(OC)cc1 ZINC001435892447 1065048667 /nfs/dbraw/zinc/04/86/67/1065048667.db2.gz VQNBICYKSFHSIC-CYFREDJKSA-N 0 0 458.986 4.753 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C/C(C)=C\c2ccccc2)c1Cl ZINC001435892854 1065048915 /nfs/dbraw/zinc/04/89/15/1065048915.db2.gz YIDRWFSVJOMEGQ-SQFISAMPSA-N 0 0 456.391 4.589 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2F)CCCC1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001435893649 1065049382 /nfs/dbraw/zinc/04/93/82/1065049382.db2.gz CKFSNCSVTRMCGZ-UHFFFAOYSA-N 0 0 459.917 4.858 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)NCC1(c2cccc(Cl)c2F)CCCC1)c1ccccc1 ZINC001435895235 1065049906 /nfs/dbraw/zinc/04/99/06/1065049906.db2.gz MULDRWDBHMNTEJ-GOSISDBHSA-N 0 0 451.991 4.626 20 0 JJADRN CO[C@H]1CCC[C@@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)C1 ZINC001435895967 1065050529 /nfs/dbraw/zinc/05/05/29/1065050529.db2.gz UZVZYIKYFWUGGG-YPMHNXCESA-N 0 0 456.242 4.949 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)nn1-c1ccccc1Cl ZINC001360148124 1065050541 /nfs/dbraw/zinc/05/05/41/1065050541.db2.gz BDQFLYODMMFTAN-QGZVFWFLSA-N 0 0 453.974 4.690 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2(C(=O)N(C)C)CCCC2)cc1C ZINC001360147784 1065050645 /nfs/dbraw/zinc/05/06/45/1065050645.db2.gz HWXJLHHNGBPUKJ-UHFFFAOYSA-N 0 0 458.606 4.594 20 0 JJADRN COC(=O)c1ncccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c21 ZINC001435897599 1065051002 /nfs/dbraw/zinc/05/10/02/1065051002.db2.gz RNMQPQWRQHBGMU-UHFFFAOYSA-N 0 0 456.380 4.651 20 0 JJADRN O=C(Oc1cc(Cl)c(Br)cc1Cl)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001435898407 1065051380 /nfs/dbraw/zinc/05/13/80/1065051380.db2.gz UMSUOTKOMWNNCZ-GFCCVEGCSA-N 0 0 458.139 4.609 20 0 JJADRN COc1ccc(-c2nc(COC(=O)c3ccc(Br)cc3C(F)(F)F)no2)cc1 ZINC001360148810 1065051501 /nfs/dbraw/zinc/05/15/01/1065051501.db2.gz OTRSSHSJRODBLJ-UHFFFAOYSA-N 0 0 457.202 4.884 20 0 JJADRN C[C@@H](c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1)N1CCOCC1 ZINC001360148781 1065051866 /nfs/dbraw/zinc/05/18/66/1065051866.db2.gz NQLPHRVBPSZAEW-HNNXBMFYSA-N 0 0 456.340 4.750 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)[C@@H](OC)c2ccccc2Br)c1 ZINC001435900168 1065052734 /nfs/dbraw/zinc/05/27/34/1065052734.db2.gz FISPISDMSCWGLU-KRWDZBQOSA-N 0 0 457.162 4.566 20 0 JJADRN O=C(COc1ccccc1C(=O)OCc1nc(C(F)(F)F)cs1)Nc1ccccc1F ZINC001435901325 1065053154 /nfs/dbraw/zinc/05/31/54/1065053154.db2.gz GGYDNZHDZRWSNU-UHFFFAOYSA-N 0 0 454.401 4.676 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C ZINC001435901417 1065053522 /nfs/dbraw/zinc/05/35/22/1065053522.db2.gz IBHWFGFAIHPFJR-UHFFFAOYSA-N 0 0 454.399 4.783 20 0 JJADRN Cc1c(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)nnn1Cc1ccccc1F ZINC001435903605 1065054531 /nfs/dbraw/zinc/05/45/31/1065054531.db2.gz PRCWHJUZGJGLDL-UHFFFAOYSA-N 0 0 453.905 4.666 20 0 JJADRN CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H](C)Cc1ccc(OC)cc1 ZINC001360150727 1065054613 /nfs/dbraw/zinc/05/46/13/1065054613.db2.gz KHMRREYXDQZHBG-KRWDZBQOSA-N 0 0 456.384 4.796 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC001360150900 1065054969 /nfs/dbraw/zinc/05/49/69/1065054969.db2.gz NSKQKCCTKBVDIR-XXBNENTESA-N 0 0 454.592 4.655 20 0 JJADRN C[C@H](CCNC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)CC(C)(C)C ZINC001435904978 1065055517 /nfs/dbraw/zinc/05/55/17/1065055517.db2.gz QLSUAPFMBBJBQF-MRXNPFEDSA-N 0 0 457.596 4.733 20 0 JJADRN CC(C)[C@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)Cc1ccc(Cl)cc1Cl ZINC001360151332 1065055520 /nfs/dbraw/zinc/05/55/20/1065055520.db2.gz YIDFUXVYZFGONJ-KRWDZBQOSA-N 0 0 454.419 4.931 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)c(I)c1 ZINC001435906438 1065055933 /nfs/dbraw/zinc/05/59/33/1065055933.db2.gz HDTAPWSBZFMENI-APPDUMDISA-N 0 0 459.686 4.686 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC001435907285 1065056160 /nfs/dbraw/zinc/05/61/60/1065056160.db2.gz OVTKRICQOYKYCW-ACJLOTCBSA-N 0 0 455.723 4.855 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC001435907720 1065056730 /nfs/dbraw/zinc/05/67/30/1065056730.db2.gz YMPLSNJPZKMOJE-UHFFFAOYSA-N 0 0 456.867 4.796 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@H](Oc2ccccc2)c2ccccc2)c(Br)c1 ZINC001435907806 1065056740 /nfs/dbraw/zinc/05/67/40/1065056740.db2.gz CORJWXNEBHUADI-OAQYLSRUSA-N 0 0 454.320 4.672 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 ZINC001360153680 1065056749 /nfs/dbraw/zinc/05/67/49/1065056749.db2.gz CUSZUNILLMKKPY-FQEVSTJZSA-N 0 0 457.603 4.786 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001360154887 1065057424 /nfs/dbraw/zinc/05/74/24/1065057424.db2.gz KEQBOPNCMPVOTF-HXUWFJFHSA-N 0 0 450.336 4.955 20 0 JJADRN Cc1ccc(I)c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC001435908908 1065057604 /nfs/dbraw/zinc/05/76/04/1065057604.db2.gz VSCXBELTJDLFCZ-SCLBCKFNSA-N 0 0 455.723 4.855 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001545894107 1065058080 /nfs/dbraw/zinc/05/80/80/1065058080.db2.gz OUAYAHXSKONZGE-NUJGCVRESA-N 0 0 475.584 4.611 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001435909275 1065058206 /nfs/dbraw/zinc/05/82/06/1065058206.db2.gz JDTYHBMQTSWEKI-HJPURHCSSA-N 0 0 459.384 4.577 20 0 JJADRN O=C(NC1CCC(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1)C1CCCC1 ZINC001435910110 1065058429 /nfs/dbraw/zinc/05/84/29/1065058429.db2.gz DYHOIEVCRZGNJS-UHFFFAOYSA-N 0 0 454.508 4.858 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 ZINC001435909876 1065058580 /nfs/dbraw/zinc/05/85/80/1065058580.db2.gz NAQPOPQFSUQIAS-UHFFFAOYSA-N 0 0 450.638 4.838 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3cc(F)cc(F)c3Br)c(=O)oc2c1 ZINC001435910864 1065058916 /nfs/dbraw/zinc/05/89/16/1065058916.db2.gz YAHGAULCNNEVAX-UHFFFAOYSA-N 0 0 452.251 4.722 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)cc1 ZINC001360157042 1065059002 /nfs/dbraw/zinc/05/90/02/1065059002.db2.gz CPVBNVUXJOFWPS-JTHBVZDNSA-N 0 0 454.636 4.714 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1 ZINC001360157040 1065059052 /nfs/dbraw/zinc/05/90/52/1065059052.db2.gz CPVBNVUXJOFWPS-GGAORHGYSA-N 0 0 454.636 4.714 20 0 JJADRN Cc1cnc(Cl)c(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001435911394 1065059409 /nfs/dbraw/zinc/05/94/09/1065059409.db2.gz UKYXMWRNRZMTBL-UHFFFAOYSA-N 0 0 455.923 4.755 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc4ccc(Br)cc4s3)c2)CC1 ZINC001435912120 1065059454 /nfs/dbraw/zinc/05/94/54/1065059454.db2.gz OKFKQRRZUHUALK-UHFFFAOYSA-N 0 0 458.381 4.585 20 0 JJADRN COc1ccc(-c2cc(C(=O)O[C@H](Cc3ccc(F)cc3)C(F)(F)F)nn2C)cc1OC ZINC001435911887 1065059484 /nfs/dbraw/zinc/05/94/84/1065059484.db2.gz LZIAQROYHVGUTO-HXUWFJFHSA-N 0 0 452.404 4.574 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(F)c(F)cc1I ZINC001360157940 1065059404 /nfs/dbraw/zinc/05/94/04/1065059404.db2.gz ANJMMDZACWUCJS-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN CCCCCC[C@](C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)OCC ZINC001360158619 1065059500 /nfs/dbraw/zinc/05/95/00/1065059500.db2.gz VIYPUZYENDZLQJ-QFIPXVFZSA-N 0 0 457.537 4.725 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360162046 1065060923 /nfs/dbraw/zinc/06/09/23/1065060923.db2.gz JIANKIBUGNTKQV-IAGOWNOFSA-N 0 0 451.537 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CCCOC1CCCCC1 ZINC001360162258 1065061380 /nfs/dbraw/zinc/06/13/80/1065061380.db2.gz LIUDEDDBBJWXJV-QGZVFWFLSA-N 0 0 463.573 4.631 20 0 JJADRN CCc1cccc2c(CC(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)c[nH]c21 ZINC001360162397 1065061440 /nfs/dbraw/zinc/06/14/40/1065061440.db2.gz YALZHJIHMXNQRP-HSZRJFAPSA-N 0 0 454.014 4.895 20 0 JJADRN O=C(CCc1nc(-c2ccccn2)no1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001435914950 1065061318 /nfs/dbraw/zinc/06/13/18/1065061318.db2.gz LBRCSXGAUBQJLR-OAHLLOKOSA-N 0 0 458.362 4.893 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)CCSc1ccccc1Br)c1ccccc1 ZINC001435914715 1065061395 /nfs/dbraw/zinc/06/13/95/1065061395.db2.gz ZSRQQMZSGPFGKZ-OAQYLSRUSA-N 0 0 450.398 4.569 20 0 JJADRN CC/C(=C/C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccc(OC)cc1 ZINC001435916688 1065061757 /nfs/dbraw/zinc/06/17/57/1065061757.db2.gz VOFCPJIYLKXITR-ICFOKQHNSA-N 0 0 458.400 4.642 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC1CCC(C(F)(F)F)CC1 ZINC001360164722 1065062289 /nfs/dbraw/zinc/06/22/89/1065062289.db2.gz YDHCSUGWCPNCLL-NLPFYKDJSA-N 0 0 463.548 4.909 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1sc(-c2ccccn2)nc1C ZINC001435917115 1065062260 /nfs/dbraw/zinc/06/22/60/1065062260.db2.gz GHVCUKONARYEQR-UHFFFAOYSA-N 0 0 452.580 4.780 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001360166511 1065062635 /nfs/dbraw/zinc/06/26/35/1065062635.db2.gz COYDUHFMFAFOJH-GRNBYLDVSA-N 0 0 454.375 4.988 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001360166519 1065062701 /nfs/dbraw/zinc/06/27/01/1065062701.db2.gz COYDUHFMFAFOJH-HECSCLNYSA-N 0 0 454.375 4.988 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Oc2c(Cl)cc(Br)cc2Cl)c1 ZINC001360167126 1065062752 /nfs/dbraw/zinc/06/27/52/1065062752.db2.gz MCDVKDGCFSIYBW-UHFFFAOYSA-N 0 0 456.116 4.908 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1Cc1ccccc1Cl ZINC001360167932 1065063135 /nfs/dbraw/zinc/06/31/35/1065063135.db2.gz HIQNJXOWPGZIGP-UHFFFAOYSA-N 0 0 482.835 4.578 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360168011 1065063256 /nfs/dbraw/zinc/06/32/56/1065063256.db2.gz HXFNILFBJIPVEP-VRKFHHGPSA-N 0 0 455.647 4.640 20 0 JJADRN Cc1cccc(CNC(=O)[C@@H](C)c2ccc(I)cc2)c1Br ZINC001435919545 1065063384 /nfs/dbraw/zinc/06/33/84/1065063384.db2.gz IARBACZNDAQARM-LBPRGKRZSA-N 0 0 458.137 4.782 20 0 JJADRN COC1CCC(C(=O)N2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001435919213 1065063470 /nfs/dbraw/zinc/06/34/70/1065063470.db2.gz BFFLXXXODXFVSB-KTKPDYKZSA-N 0 0 458.643 4.956 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360169331 1065063785 /nfs/dbraw/zinc/06/37/85/1065063785.db2.gz ARMJQSQKBDDEML-UHFFFAOYSA-N 0 0 464.010 4.885 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919959 1065063885 /nfs/dbraw/zinc/06/38/85/1065063885.db2.gz GCMFJYGNFVMEJV-IRLDBZIGSA-N 0 0 455.599 4.924 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1CCOC1CCCCCC1 ZINC001360169521 1065064228 /nfs/dbraw/zinc/06/42/28/1065064228.db2.gz IULZFURQUKDGGS-UHFFFAOYSA-N 0 0 492.462 4.555 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001360169882 1065064583 /nfs/dbraw/zinc/06/45/83/1065064583.db2.gz WHXYRNXBFOZZCU-HXUWFJFHSA-N 0 0 493.574 4.953 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@H]1CCC[C@H]1C ZINC001360169913 1065064780 /nfs/dbraw/zinc/06/47/80/1065064780.db2.gz XBKBXSOCVHZWPQ-GDBMZVCRSA-N 0 0 455.500 4.647 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC001435923609 1065065710 /nfs/dbraw/zinc/06/57/10/1065065710.db2.gz CIMVDACKNFYGKZ-UHFFFAOYSA-N 0 0 457.372 4.738 20 0 JJADRN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2)C1=O ZINC001435923281 1065065779 /nfs/dbraw/zinc/06/57/79/1065065779.db2.gz WILNANIPKGPKJG-XMMPIXPASA-N 0 0 451.885 4.552 20 0 JJADRN C[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC001360173869 1065065901 /nfs/dbraw/zinc/06/59/01/1065065901.db2.gz QOMSWOAWGIJCPO-GFCCVEGCSA-N 0 0 458.183 4.796 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001360173419 1065065986 /nfs/dbraw/zinc/06/59/86/1065065986.db2.gz XQUZFSAKPNTTTR-QUCCMNQESA-N 0 0 462.038 4.547 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC001360173601 1065066036 /nfs/dbraw/zinc/06/60/36/1065066036.db2.gz FEWTXTFADMRDST-UHFFFAOYSA-N 0 0 455.805 4.764 20 0 JJADRN CCOc1ccc2ccccc2c1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC001360173803 1065066061 /nfs/dbraw/zinc/06/60/61/1065066061.db2.gz NLJPFLUAHHZEQR-UHFFFAOYSA-N 0 0 455.352 4.551 20 0 JJADRN O=C(/C=C\c1ccc(F)c2ccccc12)NCCCNC(=O)c1cccc(Br)c1 ZINC001360173768 1065066088 /nfs/dbraw/zinc/06/60/88/1065066088.db2.gz MDEOGNOUFGSNIA-BENRWUELSA-N 0 0 455.327 4.691 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)c(Cl)c1 ZINC001360174412 1065066360 /nfs/dbraw/zinc/06/63/60/1065066360.db2.gz HXQCDVJLXBNPHJ-LJQANCHMSA-N 0 0 458.986 4.579 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cc3csc4ccc(Cl)cc34)CC2)c1 ZINC001360174188 1065066573 /nfs/dbraw/zinc/06/65/73/1065066573.db2.gz CLBFGEBLLNKQIR-KRWDZBQOSA-N 0 0 456.995 4.544 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 ZINC001360178069 1065066741 /nfs/dbraw/zinc/06/67/41/1065066741.db2.gz OFSAVJPKIHCSMM-SDNWHVSQSA-N 0 0 455.558 4.594 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001435926047 1065067168 /nfs/dbraw/zinc/06/71/68/1065067168.db2.gz UFZCBOIZSLYZLJ-JCEJCQQGSA-N 0 0 452.979 4.729 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(C)c1I ZINC001435926073 1065067209 /nfs/dbraw/zinc/06/72/09/1065067209.db2.gz UTJQHYAPYGMVFX-GFCCVEGCSA-N 0 0 459.711 4.919 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001360178892 1065067437 /nfs/dbraw/zinc/06/74/37/1065067437.db2.gz OKEGWKGEMSLJJY-KESTWPANSA-N 0 0 467.017 4.652 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC001435927127 1065067554 /nfs/dbraw/zinc/06/75/54/1065067554.db2.gz VPWXCFNMUXZUPD-LBPRGKRZSA-N 0 0 456.178 4.679 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)NCCc1ccccc1OC(F)F ZINC001435928731 1065068028 /nfs/dbraw/zinc/06/80/28/1065068028.db2.gz MVIPLOLDFMFCRL-UHFFFAOYSA-N 0 0 450.279 4.941 20 0 JJADRN COC(=O)[C@](C)(NC(=O)Cc1nc(-c2cccs2)oc1C)c1ccc(Cl)c(Cl)c1 ZINC001435930865 1065068577 /nfs/dbraw/zinc/06/85/77/1065068577.db2.gz MNADBAWHKLJMBQ-HXUWFJFHSA-N 0 0 453.347 4.765 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1coc(-c2c(F)cccc2F)n1)c1ccc(Cl)c(Cl)c1 ZINC001435932005 1065069067 /nfs/dbraw/zinc/06/90/67/1065069067.db2.gz XLELYAGQJWOOTQ-FQEVSTJZSA-N 0 0 455.244 4.745 20 0 JJADRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932642 1065069611 /nfs/dbraw/zinc/06/96/11/1065069611.db2.gz JHWSXWNZVQJTKH-TZIWHRDSSA-N 0 0 455.396 4.868 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(OCC(F)(F)F)nc1 ZINC001435932210 1065069696 /nfs/dbraw/zinc/06/96/96/1065069696.db2.gz FAPQGFHGVLRGHH-QGZVFWFLSA-N 0 0 457.290 4.926 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cccnc1-c1ccc(Cl)s1)C[C@@H]1CCCO1 ZINC001435935569 1065071103 /nfs/dbraw/zinc/07/11/03/1065071103.db2.gz YGSPZIQVISADEU-AWEZNQCLSA-N 0 0 451.976 4.818 20 0 JJADRN O=C(Nc1nnc(CC2CCCCC2)s1)c1cc(Br)cnc1OCC1CC1 ZINC001360184603 1065071140 /nfs/dbraw/zinc/07/11/40/1065071140.db2.gz ARRDLTBWULDVFY-UHFFFAOYSA-N 0 0 451.390 4.860 20 0 JJADRN O=C(Cc1ccc(Br)s1)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435935519 1065071208 /nfs/dbraw/zinc/07/12/08/1065071208.db2.gz XVENHETYIVUNNN-LJQANCHMSA-N 0 0 458.377 4.697 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC001435935470 1065071228 /nfs/dbraw/zinc/07/12/28/1065071228.db2.gz UEWNZLJMQAUSDV-KRWDZBQOSA-N 0 0 459.516 4.709 20 0 JJADRN CN(C)[C@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935585 1065071259 /nfs/dbraw/zinc/07/12/59/1065071259.db2.gz YLNBHSSHHPMTGG-ZEQRLZLVSA-N 0 0 450.966 4.586 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360185214 1065071511 /nfs/dbraw/zinc/07/15/11/1065071511.db2.gz LKMMBYHNINMVPC-CQSZACIVSA-N 0 0 450.329 4.847 20 0 JJADRN O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001360185004 1065071660 /nfs/dbraw/zinc/07/16/60/1065071660.db2.gz IIBLUMCIGBUCJA-QGZVFWFLSA-N 0 0 459.394 4.731 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360186037 1065072035 /nfs/dbraw/zinc/07/20/35/1065072035.db2.gz FMRCQGWSVDAMFJ-WBAXXEDZSA-N 0 0 481.975 4.734 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC001435937579 1065072040 /nfs/dbraw/zinc/07/20/40/1065072040.db2.gz PZEDYJJVQUXJOJ-UHFFFAOYSA-N 0 0 453.524 4.567 20 0 JJADRN O=C(COc1ccc(F)cc1Br)Oc1cnc2ccc(Br)cc2c1 ZINC001435936911 1065072196 /nfs/dbraw/zinc/07/21/96/1065072196.db2.gz AIMDNJZGTJILSR-UHFFFAOYSA-N 0 0 455.077 4.883 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 ZINC001360187674 1065072578 /nfs/dbraw/zinc/07/25/78/1065072578.db2.gz HMAYGETWVFAUAL-XMSQKQJNSA-N 0 0 457.412 4.862 20 0 JJADRN COCCCOc1ccc(C(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001435938051 1065072800 /nfs/dbraw/zinc/07/28/00/1065072800.db2.gz SUCBVIIECZBRHZ-UHFFFAOYSA-N 0 0 457.162 4.557 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC001360188217 1065072641 /nfs/dbraw/zinc/07/26/41/1065072641.db2.gz OTKSXMGHSHKIMG-OAHLLOKOSA-N 0 0 455.318 4.916 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1CCC(C)(C)C1CC1 ZINC001360189320 1065073544 /nfs/dbraw/zinc/07/35/44/1065073544.db2.gz SBHRSKMMHCAERV-UHFFFAOYSA-N 0 0 460.420 4.525 20 0 JJADRN Cc1oc(C(=O)Nc2cc(C)cc(Br)c2)cc1CN1C(=O)c2ccccc2C1=O ZINC001435940254 1065073623 /nfs/dbraw/zinc/07/36/23/1065073623.db2.gz FJPQEFJBNNNLMN-UHFFFAOYSA-N 0 0 453.292 4.707 20 0 JJADRN Cc1nc2ccc(C(=O)N3CCN([C@@H](C)c4ccc(Br)cc4)CC3)cc2nc1C ZINC001360189045 1065073744 /nfs/dbraw/zinc/07/37/44/1065073744.db2.gz ZPCADKFMOLWXCV-KRWDZBQOSA-N 0 0 453.384 4.528 20 0 JJADRN COC(=O)c1ccc2ccccc2c1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001435940166 1065073647 /nfs/dbraw/zinc/07/36/47/1065073647.db2.gz MZBZYBWKOWSVND-UHFFFAOYSA-N 0 0 452.260 4.748 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC001435939955 1065073701 /nfs/dbraw/zinc/07/37/01/1065073701.db2.gz HJPLCJQBXCCPRE-QHCPKHFHSA-N 0 0 456.539 4.538 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001360190029 1065074155 /nfs/dbraw/zinc/07/41/55/1065074155.db2.gz IWXBWIHVYHCTAF-HEHGZKQESA-N 0 0 457.434 4.994 20 0 JJADRN CC(C)c1cccc(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)c1 ZINC001435941229 1065074275 /nfs/dbraw/zinc/07/42/75/1065074275.db2.gz NDZFHKSWFZWKSG-NRFANRHFSA-N 0 0 459.384 4.990 20 0 JJADRN C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1C(F)(F)F ZINC001435940875 1065074323 /nfs/dbraw/zinc/07/43/23/1065074323.db2.gz LCQBIEAMATYCTD-VLIAUNLRSA-N 0 0 454.439 4.785 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cc(F)cc(Br)c1 ZINC001435941520 1065074764 /nfs/dbraw/zinc/07/47/64/1065074764.db2.gz NWEHRYSVQBSAJH-MRXNPFEDSA-N 0 0 454.727 4.652 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)[C@@H]1c1cccc(C)c1 ZINC001360190200 1065074683 /nfs/dbraw/zinc/07/46/83/1065074683.db2.gz OFEPTMLZDGVVNO-GMAHTHKFSA-N 0 0 452.551 4.535 20 0 JJADRN Cc1c(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)nnn1Cc1ccc(F)cc1F ZINC001435944071 1065075660 /nfs/dbraw/zinc/07/56/60/1065075660.db2.gz JNMQIYFSNPRHFD-UHFFFAOYSA-N 0 0 452.427 4.639 20 0 JJADRN CC[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1cc(F)cc(Br)c1 ZINC001435944044 1065075707 /nfs/dbraw/zinc/07/57/07/1065075707.db2.gz WBQSJOYABKTEFI-DOTOQJQBSA-N 0 0 457.137 4.922 20 0 JJADRN CC(C)n1nc(C(=O)N2CCC(c3ccccc3Br)CC2)c2ccccc2c1=O ZINC001435944026 1065075748 /nfs/dbraw/zinc/07/57/48/1065075748.db2.gz VPKIAAMRBLETEN-UHFFFAOYSA-N 0 0 454.368 4.760 20 0 JJADRN CCCCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(C)(C)C ZINC001360195021 1065076783 /nfs/dbraw/zinc/07/67/83/1065076783.db2.gz OHFBPAPQKVQREL-QFIPXVFZSA-N 0 0 452.661 4.985 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N3CCCCC[C@H]3C)nnc2-c2cccnc2)cc1 ZINC001435948210 1065077100 /nfs/dbraw/zinc/07/71/00/1065077100.db2.gz HAJOQLYUARKQMU-GOSISDBHSA-N 0 0 451.596 4.611 20 0 JJADRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001435949088 1065077532 /nfs/dbraw/zinc/07/75/32/1065077532.db2.gz KCHQZGRBHIGODR-NRFANRHFSA-N 0 0 451.448 4.521 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC001360198396 1065077709 /nfs/dbraw/zinc/07/77/09/1065077709.db2.gz WGFTYIKWECTKIW-KRWDZBQOSA-N 0 0 457.452 4.910 20 0 JJADRN CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360198526 1065077768 /nfs/dbraw/zinc/07/77/68/1065077768.db2.gz YWLAJLCTTOFQQY-MRXNPFEDSA-N 0 0 452.190 4.953 20 0 JJADRN COCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cn2)CCC3)cc1 ZINC001435949620 1065077956 /nfs/dbraw/zinc/07/79/56/1065077956.db2.gz VIRTWHXHLSNJIN-UHFFFAOYSA-N 0 0 456.951 4.794 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)Cn2cc(Cl)cn2)CCC3)cc1Cl ZINC001435950555 1065078096 /nfs/dbraw/zinc/07/80/96/1065078096.db2.gz ZXVRACZHMMGTOK-UHFFFAOYSA-N 0 0 450.347 4.618 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC(C)(C)c1cccs1 ZINC001360200468 1065078295 /nfs/dbraw/zinc/07/82/95/1065078295.db2.gz UWIZBVFUQZOOOF-SFHVURJKSA-N 0 0 455.603 4.589 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3nc4ccccc4o3)CC2)n1CC(C)(C)C(F)(F)F ZINC001360201617 1065078855 /nfs/dbraw/zinc/07/88/55/1065078855.db2.gz ZLXBDUXKPZVOGQ-UHFFFAOYSA-N 0 0 478.519 4.530 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC001360203328 1065079148 /nfs/dbraw/zinc/07/91/48/1065079148.db2.gz YDMKDRMUHKVOAZ-VHRBIJSZSA-N 0 0 451.778 4.754 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001360203917 1065079684 /nfs/dbraw/zinc/07/96/84/1065079684.db2.gz VGFMUHIKNAHTGX-SFTDATJTSA-N 0 0 493.574 4.753 20 0 JJADRN CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)cc1 ZINC001360205754 1065080155 /nfs/dbraw/zinc/08/01/55/1065080155.db2.gz MPFWAAWJSPXBCO-ZDUSSCGKSA-N 0 0 456.427 4.844 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC001360206351 1065080235 /nfs/dbraw/zinc/08/02/35/1065080235.db2.gz XRBGKRSBDRTYQU-LBPRGKRZSA-N 0 0 451.004 4.873 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cc1 ZINC001435955776 1065080171 /nfs/dbraw/zinc/08/01/71/1065080171.db2.gz HZYVAEHEHDRGPM-UHFFFAOYSA-N 0 0 452.576 4.601 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H](C)c3ccc4ncsc4c3)CC2=O)ccc1Br ZINC001435956248 1065080324 /nfs/dbraw/zinc/08/03/24/1065080324.db2.gz YWSXXBRSUULLQM-DZGCQCFKSA-N 0 0 458.381 4.598 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435956939 1065080656 /nfs/dbraw/zinc/08/06/56/1065080656.db2.gz PMRLZEYWSSLZNC-HNNXBMFYSA-N 0 0 459.880 4.981 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001360207038 1065080685 /nfs/dbraw/zinc/08/06/85/1065080685.db2.gz ONQCCAWQXJUDTG-OAQYLSRUSA-N 0 0 453.631 4.538 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)CCOc2cccc(I)c2)cc1 ZINC001435957333 1065080674 /nfs/dbraw/zinc/08/06/74/1065080674.db2.gz UPRGRPYFBLYGFR-OAHLLOKOSA-N 0 0 455.361 4.666 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545894463 1065080740 /nfs/dbraw/zinc/08/07/40/1065080740.db2.gz XFLAPNYRXYVBNU-SFHVURJKSA-N 0 0 462.038 4.779 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 ZINC001435957037 1065080838 /nfs/dbraw/zinc/08/08/38/1065080838.db2.gz QZWUCMBKBHNHNX-UHFFFAOYSA-N 0 0 455.595 4.871 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(OCc2ccccc2)c1 ZINC001435957144 1065080848 /nfs/dbraw/zinc/08/08/48/1065080848.db2.gz KSENSTGUXRXNIU-QGZVFWFLSA-N 0 0 452.457 4.544 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc3scc(Br)c3c2)cc1 ZINC001435957634 1065081157 /nfs/dbraw/zinc/08/11/57/1065081157.db2.gz PGQCKLLUNOINBT-CYBMUJFWSA-N 0 0 452.395 4.564 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@](C)(OC)c1ccccc1F ZINC001435957581 1065081182 /nfs/dbraw/zinc/08/11/82/1065081182.db2.gz OIICWMJZNYHPMY-GCJKJVERSA-N 0 0 452.364 4.604 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 ZINC001360210874 1065081348 /nfs/dbraw/zinc/08/13/48/1065081348.db2.gz RYDUYXYPGNVXTH-DEOSSOPVSA-N 0 0 459.498 4.725 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC001360210875 1065081359 /nfs/dbraw/zinc/08/13/59/1065081359.db2.gz RYDUYXYPGNVXTH-XMMPIXPASA-N 0 0 459.498 4.725 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCc1cc2ccccc2o1 ZINC001545894471 1065081712 /nfs/dbraw/zinc/08/17/12/1065081712.db2.gz XHFGUOFYZRRCNW-QGZVFWFLSA-N 0 0 459.541 4.667 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360211657 1065081977 /nfs/dbraw/zinc/08/19/77/1065081977.db2.gz LNLPLGUPMJMOMK-PMACEKPBSA-N 0 0 493.574 4.896 20 0 JJADRN CC(C)(C)OCc1cc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)no1 ZINC001435958631 1065082089 /nfs/dbraw/zinc/08/20/89/1065082089.db2.gz XIKQFNIZICVXMN-UHFFFAOYSA-N 0 0 456.926 4.569 20 0 JJADRN CC[C@H](CN(CC)C(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccccc1 ZINC001435958993 1065082749 /nfs/dbraw/zinc/08/27/49/1065082749.db2.gz CSKJZOPFAWOOTE-QGZVFWFLSA-N 0 0 459.384 4.607 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001435959696 1065083116 /nfs/dbraw/zinc/08/31/16/1065083116.db2.gz ZBBBWZVOXCVGKP-WZONZLPQSA-N 0 0 457.979 4.747 20 0 JJADRN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCCc2c(Br)ccc(Cl)c21 ZINC001435960315 1065083127 /nfs/dbraw/zinc/08/31/27/1065083127.db2.gz JKCNGTYLKBFAHF-UHFFFAOYSA-N 0 0 457.755 4.906 20 0 JJADRN COc1cc(C)c(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1OC ZINC001435960085 1065083170 /nfs/dbraw/zinc/08/31/70/1065083170.db2.gz JVCDNQHACANIRD-FQEVSTJZSA-N 0 0 455.352 4.884 20 0 JJADRN COc1ccc(SCCC(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc1OC ZINC001435961405 1065083365 /nfs/dbraw/zinc/08/33/65/1065083365.db2.gz AYPPOUPULPFLCT-UHFFFAOYSA-N 0 0 451.592 4.880 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214564 1065083431 /nfs/dbraw/zinc/08/34/31/1065083431.db2.gz MGMMUAZCHXKGHW-SJORKVTESA-N 0 0 453.421 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360214716 1065083742 /nfs/dbraw/zinc/08/37/42/1065083742.db2.gz AOOQVDLLHZSODK-UHFFFAOYSA-N 0 0 467.658 4.940 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)[C@@H]2CCCCO2)cc1OC ZINC001435962096 1065083945 /nfs/dbraw/zinc/08/39/45/1065083945.db2.gz HEGZPGJIUXOXAM-FQEVSTJZSA-N 0 0 455.942 4.777 20 0 JJADRN COCCOc1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001435961705 1065084041 /nfs/dbraw/zinc/08/40/41/1065084041.db2.gz SJMWCJJZZKQMQY-QFIPXVFZSA-N 0 0 455.352 4.583 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N1CCCc2c(Br)ccc(Cl)c21 ZINC001435961880 1065084054 /nfs/dbraw/zinc/08/40/54/1065084054.db2.gz RUIYYSFNIRBSJB-UHFFFAOYSA-N 0 0 454.748 4.729 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)cc2)n1 ZINC001360216222 1065084148 /nfs/dbraw/zinc/08/41/48/1065084148.db2.gz CJKQADBDZLLBRZ-BGYRXZFFSA-N 0 0 458.562 4.873 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)ccc1F ZINC001360216272 1065084333 /nfs/dbraw/zinc/08/43/33/1065084333.db2.gz DDEQPWQPCXHHJL-UHFFFAOYSA-N 0 0 459.886 4.581 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)c1c(C)c3cc(Br)ccc3oc1=O)CCO2 ZINC001435965419 1065084708 /nfs/dbraw/zinc/08/47/08/1065084708.db2.gz ZLULQXXBHHYODO-QGZVFWFLSA-N 0 0 458.308 4.516 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001435966128 1065084876 /nfs/dbraw/zinc/08/48/76/1065084876.db2.gz NRCXBXVGMWEUND-CQSZACIVSA-N 0 0 452.383 4.702 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001435965678 1065085013 /nfs/dbraw/zinc/08/50/13/1065085013.db2.gz KANDYHOPFNLRJA-OAHLLOKOSA-N 0 0 459.281 4.935 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001360217889 1065085276 /nfs/dbraw/zinc/08/52/76/1065085276.db2.gz ATSGIDPJJQCXLV-LRXVAGHRSA-N 0 0 471.621 4.520 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC001435966854 1065085379 /nfs/dbraw/zinc/08/53/79/1065085379.db2.gz RNTSONIXUHUJGM-HXUWFJFHSA-N 0 0 453.464 4.966 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 ZINC001435966851 1065085456 /nfs/dbraw/zinc/08/54/56/1065085456.db2.gz RNTSONIXUHUJGM-FQEVSTJZSA-N 0 0 453.464 4.966 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1CCc1ccccc1C(F)(F)F ZINC001360218188 1065085523 /nfs/dbraw/zinc/08/55/23/1065085523.db2.gz FRJMWBCNMIHKMC-IEBWSBKVSA-N 0 0 463.548 4.694 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC=C(Br)C2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360219945 1065085597 /nfs/dbraw/zinc/08/55/97/1065085597.db2.gz WZWLDHWEFFQMCO-RZDIXWSQSA-N 0 0 478.822 4.677 20 0 JJADRN O=C(CCn1cnc2sccc2c1=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360220310 1065085639 /nfs/dbraw/zinc/08/56/39/1065085639.db2.gz DIQICWOJEVOOQL-FQEVSTJZSA-N 0 0 459.905 4.686 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCc1ccccc1C(F)(F)F ZINC001360218187 1065085737 /nfs/dbraw/zinc/08/57/37/1065085737.db2.gz FRJMWBCNMIHKMC-HKUYNNGSSA-N 0 0 463.548 4.694 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCc1ccccc1C(F)(F)F ZINC001360218191 1065085754 /nfs/dbraw/zinc/08/57/54/1065085754.db2.gz FRJMWBCNMIHKMC-PKOBYXMFSA-N 0 0 463.548 4.694 20 0 JJADRN COc1ccc(-c2nc(C(=O)OCc3ccc(OCC(F)(F)F)nc3)cs2)cc1OC ZINC001435968061 1065085733 /nfs/dbraw/zinc/08/57/33/1065085733.db2.gz VPVAGVLHYDSIFX-UHFFFAOYSA-N 0 0 454.426 4.520 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)CCO2 ZINC001435969170 1065086144 /nfs/dbraw/zinc/08/61/44/1065086144.db2.gz GBHDNTMIIFBZRG-IFMALSPDSA-N 0 0 459.384 4.625 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1nn(-c2ccccc2F)cc1Br ZINC001360220896 1065086169 /nfs/dbraw/zinc/08/61/69/1065086169.db2.gz WXPUFGFPCIKYJH-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)c1ccccc1I)CC2 ZINC001435970803 1065086934 /nfs/dbraw/zinc/08/69/34/1065086934.db2.gz AZGVVFBOWBTOAJ-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCc3c(Br)cc(C)cc3C2)cc1 ZINC001435971930 1065087342 /nfs/dbraw/zinc/08/73/42/1065087342.db2.gz UXAPZNJQXRGRRR-UHFFFAOYSA-N 0 0 450.398 4.530 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001360224801 1065087737 /nfs/dbraw/zinc/08/77/37/1065087737.db2.gz JYQBMYXHAOEDHB-UHFFFAOYSA-N 0 0 459.593 4.733 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C(C)(C)C)c(OC)c1 ZINC001435975847 1065088487 /nfs/dbraw/zinc/08/84/87/1065088487.db2.gz JEINMVPADJQHEG-UHFFFAOYSA-N 0 0 457.571 4.816 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCNc1ncc(Cl)cc1Cl ZINC001360227154 1065089484 /nfs/dbraw/zinc/08/94/84/1065089484.db2.gz JYSBFTGDAZNMSQ-MRXNPFEDSA-N 0 0 494.452 4.633 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1Cc1cc(Br)cs1 ZINC001360227284 1065089580 /nfs/dbraw/zinc/08/95/80/1065089580.db2.gz VNUMKTAQCYAYPW-OAHLLOKOSA-N 0 0 480.457 4.692 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360227240 1065089681 /nfs/dbraw/zinc/08/96/81/1065089681.db2.gz 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ZINC001435981720 1065091550 /nfs/dbraw/zinc/09/15/50/1065091550.db2.gz YPIGAADTXXERRS-MVERNJQCSA-N 0 0 455.526 4.884 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c2ccccc21 ZINC001435982804 1065091566 /nfs/dbraw/zinc/09/15/66/1065091566.db2.gz KDEXFXQUNREZKE-HZPDHXFCSA-N 0 0 455.274 4.709 20 0 JJADRN Cc1ccc([C@H]2CCC[C@H]2OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC001435982809 1065091610 /nfs/dbraw/zinc/09/16/10/1065091610.db2.gz KFHZLIJZMOBXRD-WOJBJXKFSA-N 0 0 451.382 4.552 20 0 JJADRN COc1ccc(COC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(OC(F)F)c1 ZINC001360229472 1065091603 /nfs/dbraw/zinc/09/16/03/1065091603.db2.gz MENIBGVJUPXSCM-UHFFFAOYSA-N 0 0 457.458 4.963 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360231657 1065091869 /nfs/dbraw/zinc/09/18/69/1065091869.db2.gz PNDQRFGUDYCNDU-BBWFWOEESA-N 0 0 469.577 4.983 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001360230368 1065092004 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ZINC001435988518 1065095250 /nfs/dbraw/zinc/09/52/50/1065095250.db2.gz SBMMOMKDGREFAG-UHFFFAOYSA-N 0 0 454.929 4.810 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC001435989010 1065095643 /nfs/dbraw/zinc/09/56/43/1065095643.db2.gz RIWDFXGFDNZRKO-VWMXVWASSA-N 0 0 456.945 4.962 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)C1 ZINC001435989937 1065096098 /nfs/dbraw/zinc/09/60/98/1065096098.db2.gz RGQLGSYPZXRYIM-KPLVRAHFSA-N 0 0 457.615 4.812 20 0 JJADRN O=C([C@H]1CCCN(c2ncnc3sccc32)C1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001360242493 1065096308 /nfs/dbraw/zinc/09/63/08/1065096308.db2.gz GAPUPTXQBAMMJH-HNNXBMFYSA-N 0 0 452.477 4.638 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)C1 ZINC001435989935 1065096233 /nfs/dbraw/zinc/09/62/33/1065096233.db2.gz RGQLGSYPZXRYIM-JLMWRMLUSA-N 0 0 457.615 4.812 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CCC[C@H]2Cc2cccc(Cl)c2)c1 ZINC001435990705 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CCOc1ccccc1CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001436020319 1065118305 /nfs/dbraw/zinc/11/83/05/1065118305.db2.gz SJFDFQKPYHJWFB-IRXDYDNUSA-N 0 0 451.394 4.892 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 ZINC001360278042 1065118761 /nfs/dbraw/zinc/11/87/61/1065118761.db2.gz BIQDGTGQJIWBGH-UHFFFAOYSA-N 0 0 456.296 4.745 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC001436021737 1065118798 /nfs/dbraw/zinc/11/87/98/1065118798.db2.gz YOJZJULGCKYKFQ-QFIPXVFZSA-N 0 0 450.623 4.856 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC001436021736 1065118945 /nfs/dbraw/zinc/11/89/45/1065118945.db2.gz YOJZJULGCKYKFQ-JOCHJYFZSA-N 0 0 450.623 4.856 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(=O)OC)c3)s2)cc1OCC ZINC001360277105 1065118860 /nfs/dbraw/zinc/11/88/60/1065118860.db2.gz YGSPXPOJUFEFMZ-UHFFFAOYSA-N 0 0 454.548 4.960 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(OC(C)(C)C)cn2)c2ccc(OC)cc2OC)cc1 ZINC001360278646 1065120155 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JJADRN COc1ccc([C@H](NC(=O)c2cnn(CCC(C)C)c2C)c2ccc(OC)cc2OC)cc1 ZINC001360278950 1065120957 /nfs/dbraw/zinc/12/09/57/1065120957.db2.gz SSZYGCZVBHMFRO-VWLOTQADSA-N 0 0 451.567 4.783 20 0 JJADRN C[C@@H]1C[C@@H](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC001436023857 1065121028 /nfs/dbraw/zinc/12/10/28/1065121028.db2.gz SYEHSLAKFRGKAM-YYAJDYIMSA-N 0 0 458.521 4.981 20 0 JJADRN Cc1sc2ncn(CCC(=O)Nc3cccc(CSC4CCOCC4)c3)c(=O)c2c1C ZINC001360280072 1065121451 /nfs/dbraw/zinc/12/14/51/1065121451.db2.gz KVJUSHKDLWBJOH-UHFFFAOYSA-N 0 0 457.621 4.516 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c(Br)c1 ZINC001436024188 1065121477 /nfs/dbraw/zinc/12/14/77/1065121477.db2.gz XKKNWEZLEVFNOW-XLIONFOSSA-N 0 0 450.373 4.854 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1 ZINC001436025147 1065121532 /nfs/dbraw/zinc/12/15/32/1065121532.db2.gz GKJQHNXXAWCDLJ-UHFFFAOYSA-N 0 0 456.564 4.538 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1cc(C)cc(C)c1 ZINC001436024402 1065121584 /nfs/dbraw/zinc/12/15/84/1065121584.db2.gz UGCLYKGPAWEWBS-FQEVSTJZSA-N 0 0 458.967 4.945 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)c1ccc(SC)cc1)C2 ZINC001360280579 1065122248 /nfs/dbraw/zinc/12/22/48/1065122248.db2.gz SXUKBKLYXOVAJE-IBGZPJMESA-N 0 0 458.580 4.755 20 0 JJADRN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436026999 1065122851 /nfs/dbraw/zinc/12/28/51/1065122851.db2.gz AQDOCBHAKAXDMG-HXUWFJFHSA-N 0 0 455.839 4.599 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COCc2ccc(C)cc2)cc1 ZINC001436028206 1065123400 /nfs/dbraw/zinc/12/34/00/1065123400.db2.gz DUJLUHBKZIDZQW-XMMPIXPASA-N 0 0 452.595 4.895 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001436027805 1065123468 /nfs/dbraw/zinc/12/34/68/1065123468.db2.gz NNWCZCMWBZUFRA-UHFFFAOYSA-N 0 0 457.315 4.672 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccnn2C2CCCC2)cc1 ZINC001436028375 1065124129 /nfs/dbraw/zinc/12/41/29/1065124129.db2.gz FIPKUJDFAKCQKN-QHCPKHFHSA-N 0 0 452.599 4.995 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H](c3ccccc3)C(C)C)c2)cc1 ZINC001360284938 1065124276 /nfs/dbraw/zinc/12/42/76/1065124276.db2.gz PPXRDRFMWXSUFN-XMMPIXPASA-N 0 0 452.576 4.552 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(C1)CCCCC2 ZINC001360285320 1065124293 /nfs/dbraw/zinc/12/42/93/1065124293.db2.gz CBCYNIFBBXYNKI-UHFFFAOYSA-N 0 0 478.410 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)[C@H](c2ccccc2Cl)C1 ZINC001436029551 1065125417 /nfs/dbraw/zinc/12/54/17/1065125417.db2.gz OWTUXNOSAMADQE-FPOVZHCZSA-N 0 0 454.954 4.831 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC001436029442 1065125453 /nfs/dbraw/zinc/12/54/53/1065125453.db2.gz OAKVFHYUZCKNNW-QFIPXVFZSA-N 0 0 454.567 4.700 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N(Cc3ccncc3)c3ccc(F)c(Br)c3)c12 ZINC001436029590 1065125481 /nfs/dbraw/zinc/12/54/81/1065125481.db2.gz MIAMCMSQMBNIMP-UHFFFAOYSA-N 0 0 454.303 4.718 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001360286881 1065125573 /nfs/dbraw/zinc/12/55/73/1065125573.db2.gz URGRYARMZDUWNZ-KNQAVFIVSA-N 0 0 455.986 4.754 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1Cl ZINC001436030196 1065126018 /nfs/dbraw/zinc/12/60/18/1065126018.db2.gz UEBFGEVJXNFPRX-GOSISDBHSA-N 0 0 450.942 4.691 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC1CCCC1 ZINC001360287498 1065126203 /nfs/dbraw/zinc/12/62/03/1065126203.db2.gz OGGTVCKKWPVNHK-UHFFFAOYSA-N 0 0 455.603 4.964 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1 ZINC001436030398 1065126613 /nfs/dbraw/zinc/12/66/13/1065126613.db2.gz USLMTIYDIYDYNS-AUSIDOKSSA-N 0 0 456.558 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc3c(F)cccn32)[C@H](c2ccccc2Cl)C1 ZINC001436030403 1065126620 /nfs/dbraw/zinc/12/66/20/1065126620.db2.gz UTEVSAOTGWCMPG-IBGZPJMESA-N 0 0 458.921 4.561 20 0 JJADRN O=C(c1cc(Br)c2nccn2c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436030659 1065126661 /nfs/dbraw/zinc/12/66/61/1065126661.db2.gz OKZKTWOBSVXDBL-SFHVURJKSA-N 0 0 456.237 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@H](c2ccccc2Cl)C1 ZINC001436030500 1065126678 /nfs/dbraw/zinc/12/66/78/1065126678.db2.gz WMGXNOHSZTYHFZ-NQIIRXRSSA-N 0 0 456.970 4.712 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@](F)(c4cccc(C(F)(F)F)c4)C3)CC2=O)cc1F ZINC001436031437 1065127249 /nfs/dbraw/zinc/12/72/49/1065127249.db2.gz PVMPGHUSTYQFSA-NYHFZMIOSA-N 0 0 452.423 4.603 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)CC2=O)cc1F ZINC001436031438 1065127343 /nfs/dbraw/zinc/12/73/43/1065127343.db2.gz PVMPGHUSTYQFSA-OYHNWAKOSA-N 0 0 452.423 4.603 20 0 JJADRN CCc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c(C(=O)OC)c1 ZINC001360291767 1065127364 /nfs/dbraw/zinc/12/73/64/1065127364.db2.gz QZEQXCSUAICHOT-UHFFFAOYSA-N 0 0 456.340 4.853 20 0 JJADRN COc1ccc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccncc3)sc2c1 ZINC001436031720 1065128031 /nfs/dbraw/zinc/12/80/31/1065128031.db2.gz ANOXBTNRMVLWRQ-IBGZPJMESA-N 0 0 453.564 4.739 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(C)cc(Cl)n2)c1 ZINC001436031984 1065128063 /nfs/dbraw/zinc/12/80/63/1065128063.db2.gz UTUZCANDOUZGDB-UHFFFAOYSA-N 0 0 455.967 4.713 20 0 JJADRN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360293784 1065128219 /nfs/dbraw/zinc/12/82/19/1065128219.db2.gz SINPATOLAHMPEY-KRWDZBQOSA-N 0 0 454.246 4.967 20 0 JJADRN COC[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)c1cccc(C(F)(F)F)c1 ZINC001360293588 1065128246 /nfs/dbraw/zinc/12/82/46/1065128246.db2.gz LTFHMGMQDKTEEM-MRXNPFEDSA-N 0 0 454.246 4.529 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cnn(CC(F)(F)F)c3)c3ccccc3n2)cc1OC ZINC001360293873 1065128798 /nfs/dbraw/zinc/12/87/98/1065128798.db2.gz VZGWOWOWWNSLOX-UHFFFAOYSA-N 0 0 456.424 4.930 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001436032559 1065129259 /nfs/dbraw/zinc/12/92/59/1065129259.db2.gz HYWSQJACXXWWEY-OAQYLSRUSA-N 0 0 456.311 4.960 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC001436032202 1065129312 /nfs/dbraw/zinc/12/93/12/1065129312.db2.gz FBWIRJZNZYMPCZ-INIZCTEOSA-N 0 0 451.292 4.799 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCc2nc(-c3ccccn3)cs2)c1 ZINC001436032239 1065129342 /nfs/dbraw/zinc/12/93/42/1065129342.db2.gz FKEADYCGCNDROS-UHFFFAOYSA-N 0 0 456.417 4.850 20 0 JJADRN O=C(COc1cc(F)cc(F)c1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001360296341 1065129374 /nfs/dbraw/zinc/12/93/74/1065129374.db2.gz JOGXQPGXKCGIJA-UHFFFAOYSA-N 0 0 452.244 4.936 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001360295940 1065129404 /nfs/dbraw/zinc/12/94/04/1065129404.db2.gz SQHANFBHKWOWRF-UHFFFAOYSA-N 0 0 497.684 4.607 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001360295701 1065129501 /nfs/dbraw/zinc/12/95/01/1065129501.db2.gz KTILMXKTBRNPAY-OAHLLOKOSA-N 0 0 468.429 4.561 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001360295700 1065129508 /nfs/dbraw/zinc/12/95/08/1065129508.db2.gz KTILMXKTBRNPAY-HNNXBMFYSA-N 0 0 468.429 4.561 20 0 JJADRN O=C(CCc1ccc(F)c2c1CCCC2)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360296862 1065130194 /nfs/dbraw/zinc/13/01/94/1065130194.db2.gz DILVTRMCLXDELD-QGZVFWFLSA-N 0 0 450.476 4.931 20 0 JJADRN CC(C)(CNC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1cccc(F)c1 ZINC001360296814 1065130228 /nfs/dbraw/zinc/13/02/28/1065130228.db2.gz YDKBBIQYBIUCAS-UHFFFAOYSA-N 0 0 451.727 4.530 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cnc(C(F)(F)F)nc2)cc1Cl)c1ccncc1 ZINC001360296588 1065130259 /nfs/dbraw/zinc/13/02/59/1065130259.db2.gz SBLHAMJFXSYVJD-UHFFFAOYSA-N 0 0 456.211 4.702 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Br)c1 ZINC001360297329 1065130680 /nfs/dbraw/zinc/13/06/80/1065130680.db2.gz QNDIIUPIJBFQIQ-CZUORRHYSA-N 0 0 457.290 4.846 20 0 JJADRN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC001436034459 1065131393 /nfs/dbraw/zinc/13/13/93/1065131393.db2.gz QNQUOFUFUSVGIE-DEOSSOPVSA-N 0 0 458.562 4.886 20 0 JJADRN Cn1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c(-c2ccccc2Cl)n1 ZINC001436034954 1065132000 /nfs/dbraw/zinc/13/20/00/1065132000.db2.gz SLAJHAQSSCZIEM-INIZCTEOSA-N 0 0 450.695 4.506 20 0 JJADRN COCCCCN(C(=O)[C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(Br)cn1 ZINC001436035810 1065132017 /nfs/dbraw/zinc/13/20/17/1065132017.db2.gz QRCPPSBWQFDQPX-LIRRHRJNSA-N 0 0 453.402 4.615 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccc(Cn2ccnn2)o1 ZINC001436037241 1065132889 /nfs/dbraw/zinc/13/28/89/1065132889.db2.gz HSNUCOKDUWEGGO-UHFFFAOYSA-N 0 0 457.745 4.811 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001360300310 1065132965 /nfs/dbraw/zinc/13/29/65/1065132965.db2.gz LIJIJDWMHUUTGQ-AYLZSAKASA-N 0 0 450.535 4.515 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)c2)cn1 ZINC001436038203 1065133441 /nfs/dbraw/zinc/13/34/41/1065133441.db2.gz HQQFOXPKVZXZJP-UKTHLTGXSA-N 0 0 455.558 4.956 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)OCc3c(F)ccc(Br)c3F)c(C)c12 ZINC001436038017 1065133449 /nfs/dbraw/zinc/13/34/49/1065133449.db2.gz YIFPJEOFEKOWCH-UHFFFAOYSA-N 0 0 452.299 4.610 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC001436038122 1065133481 /nfs/dbraw/zinc/13/34/81/1065133481.db2.gz NKPYPFDGYCYVTF-XMMPIXPASA-N 0 0 452.514 4.664 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001360300669 1065133487 /nfs/dbraw/zinc/13/34/87/1065133487.db2.gz WHDYHDGMKKMJTK-WBBHLRKXSA-N 0 0 450.629 4.723 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001436038968 1065134199 /nfs/dbraw/zinc/13/41/99/1065134199.db2.gz XHZGWIFNKSLUQQ-PGRDOPGGSA-N 0 0 453.380 4.737 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ncc(-c3ccccc3F)s2)c1I ZINC001436039167 1065134254 /nfs/dbraw/zinc/13/42/54/1065134254.db2.gz ZXXMDTZBPJBQME-UHFFFAOYSA-N 0 0 456.284 4.584 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H]2C)cc1 ZINC001360301675 1065134269 /nfs/dbraw/zinc/13/42/69/1065134269.db2.gz DRYVAUJMMDAIOT-OAHLLOKOSA-N 0 0 486.418 4.603 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001360300743 1065134355 /nfs/dbraw/zinc/13/43/55/1065134355.db2.gz YNGGKUQCFGVLQX-NWDGAFQWSA-N 0 0 456.431 4.857 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001360302082 1065134368 /nfs/dbraw/zinc/13/43/68/1065134368.db2.gz ROZOFOWVSALEEG-JOCHJYFZSA-N 0 0 493.656 4.646 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(C(F)(F)F)CC2)cc1 ZINC001360301880 1065134432 /nfs/dbraw/zinc/13/44/32/1065134432.db2.gz JRKRTWWXXSCOKV-UHFFFAOYSA-N 0 0 487.530 4.697 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F ZINC001436040311 1065134957 /nfs/dbraw/zinc/13/49/57/1065134957.db2.gz JNPGBNSKJHSCPS-XMMPIXPASA-N 0 0 459.464 4.905 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC001360303114 1065135718 /nfs/dbraw/zinc/13/57/18/1065135718.db2.gz VGHMNWZHQBUARW-LADGPHEKSA-N 0 0 450.579 4.849 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001360303329 1065135818 /nfs/dbraw/zinc/13/58/18/1065135818.db2.gz AETGDMWUPVZOFI-CTNGQTDRSA-N 0 0 455.551 4.631 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360303559 1065136426 /nfs/dbraw/zinc/13/64/26/1065136426.db2.gz HSPXSQTWNMQVEP-SIBVEZHUSA-N 0 0 452.551 4.751 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)cc1 ZINC001360303569 1065136449 /nfs/dbraw/zinc/13/64/49/1065136449.db2.gz IELVPYNSANWAEW-UHFFFAOYSA-N 0 0 451.544 4.744 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)ccc1N1C(=O)CCC1=O ZINC001360304401 1065137105 /nfs/dbraw/zinc/13/71/05/1065137105.db2.gz ZMAFSVNFCRLOJP-UHFFFAOYSA-N 0 0 451.910 4.540 20 0 JJADRN CCOc1cc(C(=O)N2CCc3ccccc3[C@H]2CC)ccc1OCC(=O)N1CCCCC1 ZINC001360303955 1065137165 /nfs/dbraw/zinc/13/71/65/1065137165.db2.gz QVKAJFZETDTTKV-HSZRJFAPSA-N 0 0 450.579 4.626 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)cc1F ZINC001436042900 1065137224 /nfs/dbraw/zinc/13/72/24/1065137224.db2.gz FQYGCDVILFLGIC-UHFFFAOYSA-N 0 0 455.457 4.781 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)[C@H](C)C2CC2)c(OC)c1 ZINC001436043479 1065138036 /nfs/dbraw/zinc/13/80/36/1065138036.db2.gz GUJRDVHKHHVICT-MRXNPFEDSA-N 0 0 455.555 4.887 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N(C)C[C@H](C)c2nccs2)cc1 ZINC001360304770 1065138556 /nfs/dbraw/zinc/13/85/56/1065138556.db2.gz PNMNJAPAOYMQCH-KRWDZBQOSA-N 0 0 467.643 4.505 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccc(Br)c4cccnc34)CC2=O)c(C)c1 ZINC001436044131 1065138545 /nfs/dbraw/zinc/13/85/45/1065138545.db2.gz OHDNICYYGYSNBU-INIZCTEOSA-N 0 0 452.352 4.914 20 0 JJADRN O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCOc2c(Br)cccc21 ZINC001436043658 1065138642 /nfs/dbraw/zinc/13/86/42/1065138642.db2.gz SEIATZWKTTTXIA-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C(C)(C)C1 ZINC001436044761 1065139863 /nfs/dbraw/zinc/13/98/63/1065139863.db2.gz VSOGVEAJKJECRC-JZXOWHBKSA-N 0 0 456.505 4.841 20 0 JJADRN COc1cccc(C(=O)NCc2ccc(I)c(Cl)c2)c1OC(C)C ZINC001436044966 1065139923 /nfs/dbraw/zinc/13/99/23/1065139923.db2.gz CWFZEKJXPUVWAI-UHFFFAOYSA-N 0 0 459.711 4.670 20 0 JJADRN O=C([C@@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001436045386 1065140748 /nfs/dbraw/zinc/14/07/48/1065140748.db2.gz HUOVUWAFKUPSBK-GOSISDBHSA-N 0 0 459.359 4.737 20 0 JJADRN O=C(CN(C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccccc1)N1CCCCC1 ZINC001360306035 1065141196 /nfs/dbraw/zinc/14/11/96/1065141196.db2.gz PIDSNXRTMXSRRE-UHFFFAOYSA-N 0 0 456.468 4.550 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)cc1)c1ccccc1 ZINC001360305818 1065141252 /nfs/dbraw/zinc/14/12/52/1065141252.db2.gz GKHPJRVPKIASFB-UHFFFAOYSA-N 0 0 455.558 4.623 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)NCc2ccc(I)c(Cl)c2)c1C1CC1 ZINC001436046355 1065141203 /nfs/dbraw/zinc/14/12/03/1065141203.db2.gz VONMQWFGHRRXTL-NSHDSACASA-N 0 0 457.743 4.920 20 0 JJADRN CC(C)(C)n1ncnc1CNC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001436047136 1065141228 /nfs/dbraw/zinc/14/12/28/1065141228.db2.gz ASWXLBYFAAJCKG-UHFFFAOYSA-N 0 0 457.365 4.673 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)nn1-c1ccccc1Cl ZINC001360307158 1065142702 /nfs/dbraw/zinc/14/27/02/1065142702.db2.gz LDZKLXJAOYWHBK-UHFFFAOYSA-N 0 0 455.946 4.760 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)s1 ZINC001360307913 1065143196 /nfs/dbraw/zinc/14/31/96/1065143196.db2.gz CEQZSCCXTIAQRA-IBGZPJMESA-N 0 0 451.596 4.900 20 0 JJADRN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1NC(=O)C(C)(C)C ZINC001360308513 1065143919 /nfs/dbraw/zinc/14/39/19/1065143919.db2.gz MSNFFXDNQULMBA-MRXNPFEDSA-N 0 0 458.356 4.807 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC001436050177 1065144109 /nfs/dbraw/zinc/14/41/09/1065144109.db2.gz UAGZENNSYVMAGS-UHFFFAOYSA-N 0 0 450.297 4.566 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308682 1065144516 /nfs/dbraw/zinc/14/45/16/1065144516.db2.gz PSWJEWNIGMPTCJ-UHFFFAOYSA-N 0 0 454.498 4.991 20 0 JJADRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001436050982 1065145239 /nfs/dbraw/zinc/14/52/39/1065145239.db2.gz QRHLYDRMGINMGE-DYZYQPBXSA-N 0 0 450.766 4.530 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001436052117 1065146046 /nfs/dbraw/zinc/14/60/46/1065146046.db2.gz CXIAFMVHQBGTJK-OAQYLSRUSA-N 0 0 451.364 4.890 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1ccc(OCc2noc(C)n2)cc1 ZINC001436051860 1065146051 /nfs/dbraw/zinc/14/60/51/1065146051.db2.gz BYSRCUOTFBHYSO-QGZVFWFLSA-N 0 0 456.340 4.697 20 0 JJADRN Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001436052180 1065146087 /nfs/dbraw/zinc/14/60/87/1065146087.db2.gz QJOIJRFBNARJTI-UHFFFAOYSA-N 0 0 458.305 4.666 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1cc(F)ccc1I ZINC001436053378 1065146566 /nfs/dbraw/zinc/14/65/66/1065146566.db2.gz DBLCGGBNCUWWNH-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360310784 1065147806 /nfs/dbraw/zinc/14/78/06/1065147806.db2.gz JLGWJDVRVMWKAB-IBGZPJMESA-N 0 0 459.384 4.895 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1Oc1ccncc1 ZINC001436054592 1065148071 /nfs/dbraw/zinc/14/80/71/1065148071.db2.gz IOELWMKCBVTHEW-IBGZPJMESA-N 0 0 452.352 4.954 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1 ZINC001360311928 1065148393 /nfs/dbraw/zinc/14/83/93/1065148393.db2.gz ZEKFWEHXJPFSBX-UHFFFAOYSA-N 0 0 457.534 4.703 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001436055811 1065148638 /nfs/dbraw/zinc/14/86/38/1065148638.db2.gz ISJPCOJVRSXTFU-OAQYLSRUSA-N 0 0 457.958 4.617 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001436056236 1065148770 /nfs/dbraw/zinc/14/87/70/1065148770.db2.gz PPVINRWBFZQRKX-HNNXBMFYSA-N 0 0 452.190 4.837 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCCCc1ccc(Br)cc1F ZINC001360316932 1065149827 /nfs/dbraw/zinc/14/98/27/1065149827.db2.gz BLVVSWPIZVBOEQ-FUHWJXTLSA-N 0 0 457.384 4.721 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2oc3ccc(F)cc3c2C)c1 ZINC001360315028 1065149928 /nfs/dbraw/zinc/14/99/28/1065149928.db2.gz ZVTFFRBEXWEZRW-HXUWFJFHSA-N 0 0 456.514 4.641 20 0 JJADRN Cc1cc(Br)c(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1Cl ZINC001436057829 1065150414 /nfs/dbraw/zinc/15/04/14/1065150414.db2.gz MDTOUYRATRIUAD-UHFFFAOYSA-N 0 0 458.183 4.831 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001436058075 1065150426 /nfs/dbraw/zinc/15/04/26/1065150426.db2.gz XRVJMTJYHWCAOI-FQEVSTJZSA-N 0 0 455.967 4.558 20 0 JJADRN C[C@@H](CC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360317222 1065150524 /nfs/dbraw/zinc/15/05/24/1065150524.db2.gz LYRBADSIRIDJOU-SJCJKPOMSA-N 0 0 452.853 4.748 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1 ZINC001360317043 1065150578 /nfs/dbraw/zinc/15/05/78/1065150578.db2.gz FBTYCVNRTJDPKT-UHFFFAOYSA-N 0 0 456.408 4.999 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1 ZINC001436059014 1065150580 /nfs/dbraw/zinc/15/05/80/1065150580.db2.gz GZIKUEXJVCHADM-UHFFFAOYSA-N 0 0 450.320 4.641 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC001360317816 1065151147 /nfs/dbraw/zinc/15/11/47/1065151147.db2.gz IHYVSIYOTKSJEE-QGZVFWFLSA-N 0 0 455.725 4.677 20 0 JJADRN CC(C)(NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nccs1 ZINC001360317639 1065151173 /nfs/dbraw/zinc/15/11/73/1065151173.db2.gz ZZPPLHSZWKUYQT-UHFFFAOYSA-N 0 0 458.381 4.752 20 0 JJADRN C[C@@H](CCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC001436059476 1065151297 /nfs/dbraw/zinc/15/12/97/1065151297.db2.gz WAATUARKRHSMMG-IBGZPJMESA-N 0 0 453.583 4.539 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001360317924 1065152060 /nfs/dbraw/zinc/15/20/60/1065152060.db2.gz DJIBPFFYSVYKFV-HXOBKFHXSA-N 0 0 458.961 4.634 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC001436060180 1065151975 /nfs/dbraw/zinc/15/19/75/1065151975.db2.gz CJJALYYRWLENFC-FQEVSTJZSA-N 0 0 451.972 4.830 20 0 JJADRN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 ZINC001436060517 1065152084 /nfs/dbraw/zinc/15/20/84/1065152084.db2.gz NYRWFJXLHSPYPC-UHFFFAOYSA-N 0 0 451.548 4.810 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC001436060617 1065152165 /nfs/dbraw/zinc/15/21/65/1065152165.db2.gz QAMGLUHOJVYPHU-LJQANCHMSA-N 0 0 451.567 4.739 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCc2ccsc2)CCOC1 ZINC001360319060 1065152830 /nfs/dbraw/zinc/15/28/30/1065152830.db2.gz CDXRUIGJAWSOKY-HOYKHHGWSA-N 0 0 456.612 4.526 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC001436062307 1065153396 /nfs/dbraw/zinc/15/33/96/1065153396.db2.gz KMMODWNXCHKHMQ-GOSISDBHSA-N 0 0 457.530 4.518 20 0 JJADRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001436062072 1065153412 /nfs/dbraw/zinc/15/34/12/1065153412.db2.gz KVHIUGRSMIFXQG-HNNXBMFYSA-N 0 0 453.783 4.765 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccco3)n2Cc2ccccc2Br)CCOC1 ZINC001360319463 1065153475 /nfs/dbraw/zinc/15/34/75/1065153475.db2.gz IICYGJDWRQGORP-GAJHUEQPSA-N 0 0 489.414 4.920 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H]2CSCCS2)CCOC1 ZINC001360319458 1065153539 /nfs/dbraw/zinc/15/35/39/1065153539.db2.gz IHOJXZRUGDELTJ-DHJUGAMNSA-N 0 0 480.675 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2Cc2ccc(F)cc2F)CCOC1 ZINC001360319567 1065154061 /nfs/dbraw/zinc/15/40/61/1065154061.db2.gz KCNOPUXEKMMFHT-WAIKUNEKSA-N 0 0 462.566 4.904 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CC(C)(C)Oc4ccccc43)c2)C1 ZINC001436063179 1065154046 /nfs/dbraw/zinc/15/40/46/1065154046.db2.gz MMMVNWHREWKPCF-PNCHPQGNSA-N 0 0 457.592 4.812 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@](C)(O)c2ccsc2)CCOC1 ZINC001360319731 1065154188 /nfs/dbraw/zinc/15/41/88/1065154188.db2.gz MIFBSSHSVOARCX-AYCKEJKLSA-N 0 0 488.629 4.624 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001360319880 1065154856 /nfs/dbraw/zinc/15/48/56/1065154856.db2.gz OEMBHMDCXXIRKK-MHECFPHRSA-N 0 0 489.542 4.978 20 0 JJADRN CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)c1ccc(Cl)c(F)c1 ZINC001436064190 1065154986 /nfs/dbraw/zinc/15/49/86/1065154986.db2.gz OKCMPRJNALUNLD-UHFFFAOYSA-N 0 0 451.970 4.749 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)Cc1ccc(I)cc1 ZINC001436064701 1065155006 /nfs/dbraw/zinc/15/50/06/1065155006.db2.gz HWHJPJBBEHUIOM-UHFFFAOYSA-N 0 0 459.283 4.802 20 0 JJADRN Cc1cc(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1OC(F)(F)F ZINC001436065006 1065155762 /nfs/dbraw/zinc/15/57/62/1065155762.db2.gz QHODMLIFKRSVHA-UHFFFAOYSA-N 0 0 459.468 4.943 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360320256 1065156222 /nfs/dbraw/zinc/15/62/22/1065156222.db2.gz VFARZPFTFGIULK-QFWMQHCXSA-N 0 0 462.660 4.519 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC[C@H]2CCCCO2)CCOC1 ZINC001360320407 1065156226 /nfs/dbraw/zinc/15/62/26/1065156226.db2.gz XFRUYIHSJJHLJA-UWUFEASWSA-N 0 0 460.594 4.614 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H]3CCc4ccccc43)n2CCCC(F)(F)F)CCOC1 ZINC001360320565 1065157300 /nfs/dbraw/zinc/15/73/00/1065157300.db2.gz CCGBTAWWSACPAZ-UGKGYDQZSA-N 0 0 452.521 4.785 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001436067866 1065157342 /nfs/dbraw/zinc/15/73/42/1065157342.db2.gz FGXJQKKQRKTJIS-HNNXBMFYSA-N 0 0 457.514 4.624 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC001436067072 1065157505 /nfs/dbraw/zinc/15/75/05/1065157505.db2.gz SLALUMXKLZOXGI-QFBILLFUSA-N 0 0 450.343 4.846 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360320865 1065157757 /nfs/dbraw/zinc/15/77/57/1065157757.db2.gz GXMKHHGVCKTSNH-YYULODDRSA-N 0 0 496.574 4.578 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2ccc(Cl)nc2)CCOC1 ZINC001360321030 1065158735 /nfs/dbraw/zinc/15/87/35/1065158735.db2.gz IXEWQLUXCBAKDR-HSZRJFAPSA-N 0 0 494.398 4.844 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2ccc3sccc3c2)CCOC1 ZINC001360322266 1065159318 /nfs/dbraw/zinc/15/93/18/1065159318.db2.gz TVJRTQRXMWLRSJ-FQEVSTJZSA-N 0 0 454.518 4.580 20 0 JJADRN CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1F ZINC001436070948 1065159633 /nfs/dbraw/zinc/15/96/33/1065159633.db2.gz VFDPHQFAGGWQBM-OAHLLOKOSA-N 0 0 458.704 4.654 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC001360323016 1065160006 /nfs/dbraw/zinc/16/00/06/1065160006.db2.gz PUUXESDSGHZFDH-UHFFFAOYSA-N 0 0 458.755 4.972 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1OC ZINC001360323079 1065160067 /nfs/dbraw/zinc/16/00/67/1065160067.db2.gz SCDIYAFXBWAFRR-DEOSSOPVSA-N 0 0 450.579 4.695 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1OC ZINC001360323080 1065160087 /nfs/dbraw/zinc/16/00/87/1065160087.db2.gz SCDIYAFXBWAFRR-XMMPIXPASA-N 0 0 450.579 4.695 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2CCC2CC2)CCOC1 ZINC001360323702 1065161323 /nfs/dbraw/zinc/16/13/23/1065161323.db2.gz HAOADVYMPYTVAW-JOCHJYFZSA-N 0 0 463.420 4.518 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360323672 1065161333 /nfs/dbraw/zinc/16/13/33/1065161333.db2.gz GPVBQRNDCGUIRE-KOSHJBKYSA-N 0 0 474.602 4.623 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)c2)cc1 ZINC001360323539 1065161391 /nfs/dbraw/zinc/16/13/91/1065161391.db2.gz BSWYYBQWWLQFMP-UHFFFAOYSA-N 0 0 458.558 4.830 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC2(C)CC2)CCOC1 ZINC001360323710 1065161413 /nfs/dbraw/zinc/16/14/13/1065161413.db2.gz HAPJKZKPTCEENC-QFIPXVFZSA-N 0 0 470.511 4.913 20 0 JJADRN COc1cccc(C)c1NC(=O)c1csc(I)c1Br ZINC001436073919 1065162368 /nfs/dbraw/zinc/16/23/68/1065162368.db2.gz POXBEPTUTNPTBL-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)OCc2noc(C(C)(C)C)n2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436074206 1065163067 /nfs/dbraw/zinc/16/30/67/1065163067.db2.gz RQSKEKPMTUFNAF-SJORKVTESA-N 0 0 463.962 4.714 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360324708 1065164866 /nfs/dbraw/zinc/16/48/66/1065164866.db2.gz RGASSFZVTZVJDE-RPWUZVMVSA-N 0 0 496.624 4.842 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360324707 1065164903 /nfs/dbraw/zinc/16/49/03/1065164903.db2.gz RGASSFZVTZVJDE-DNQXCXABSA-N 0 0 496.624 4.842 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CCSC2)CCOC1 ZINC001360324799 1065164980 /nfs/dbraw/zinc/16/49/80/1065164980.db2.gz SAEIKCRPTVYLLL-PGRDOPGGSA-N 0 0 484.588 4.727 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CCCC1 ZINC001436078153 1065165914 /nfs/dbraw/zinc/16/59/14/1065165914.db2.gz QWRPEWDADBSEOE-OTWHNJEPSA-N 0 0 451.405 4.752 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001436078662 1065166439 /nfs/dbraw/zinc/16/64/39/1065166439.db2.gz LYSGVJDMZFHCSN-UHFFFAOYSA-N 0 0 457.317 4.884 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360325447 1065166862 /nfs/dbraw/zinc/16/68/62/1065166862.db2.gz FSXALLRQWDIFFK-HSZRJFAPSA-N 0 0 497.656 4.797 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2CC=CCC2)CCOC1 ZINC001360325319 1065166986 /nfs/dbraw/zinc/16/69/86/1065166986.db2.gz CCIFIPMHKGJMLF-HRAATJIYSA-N 0 0 485.576 4.787 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1Br ZINC001436079948 1065167111 /nfs/dbraw/zinc/16/71/11/1065167111.db2.gz PWUQCJMPXKVVEF-QGZVFWFLSA-N 0 0 458.324 4.731 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001436080771 1065167189 /nfs/dbraw/zinc/16/71/89/1065167189.db2.gz ISGVGZULNYOJRT-UHFFFAOYSA-N 0 0 455.301 4.825 20 0 JJADRN CCc1c(C(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001436081486 1065167715 /nfs/dbraw/zinc/16/77/15/1065167715.db2.gz WTFYBFKVZNHMMT-JOCHJYFZSA-N 0 0 456.974 4.730 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2CCCCC2(F)F)CCOC1 ZINC001360325977 1065168043 /nfs/dbraw/zinc/16/80/43/1065168043.db2.gz PPMKPOVBGIAURH-XLIONFOSSA-N 0 0 462.532 4.626 20 0 JJADRN O=C(Nc1cccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1)c1ccco1 ZINC001436082724 1065168287 /nfs/dbraw/zinc/16/82/87/1065168287.db2.gz AJFOBQFJNQLIJB-UHFFFAOYSA-N 0 0 458.436 4.986 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001436082392 1065168309 /nfs/dbraw/zinc/16/83/09/1065168309.db2.gz YRSXJDVLLWVVFN-INIZCTEOSA-N 0 0 450.333 4.996 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001436082395 1065168371 /nfs/dbraw/zinc/16/83/71/1065168371.db2.gz YRSXJDVLLWVVFN-MRXNPFEDSA-N 0 0 450.333 4.996 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)nc1I ZINC001436082285 1065168389 /nfs/dbraw/zinc/16/83/89/1065168389.db2.gz XNAQVWCWOQMYBN-OAHLLOKOSA-N 0 0 456.711 4.716 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001436084039 1065169653 /nfs/dbraw/zinc/16/96/53/1065169653.db2.gz QAOFQTRMFJFPDW-UHFFFAOYSA-N 0 0 459.411 4.941 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CCCCCC1 ZINC001360327548 1065170001 /nfs/dbraw/zinc/17/00/01/1065170001.db2.gz XLMJCPDYUXJQSE-QGZVFWFLSA-N 0 0 452.542 4.665 20 0 JJADRN CCCOc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(OC)c1 ZINC001436084305 1065170175 /nfs/dbraw/zinc/17/01/75/1065170175.db2.gz WFVOGNKBMBECBS-UHFFFAOYSA-N 0 0 453.457 4.818 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001436085886 1065170839 /nfs/dbraw/zinc/17/08/39/1065170839.db2.gz JAJOKQNKUCNZEE-DDUZABMNSA-N 0 0 454.851 4.519 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360328785 1065171172 /nfs/dbraw/zinc/17/11/72/1065171172.db2.gz LTVVQVQGYLBMOV-SFHVURJKSA-N 0 0 466.957 4.665 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3cccs3)n2CCc2ccc(F)c(F)c2F)CCOC1 ZINC001360328654 1065171195 /nfs/dbraw/zinc/17/11/95/1065171195.db2.gz JYBVKUOPYZSMFM-DEOSSOPVSA-N 0 0 494.583 4.719 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cc(Br)cc(I)c2)[C@@H]1C ZINC001436087742 1065171536 /nfs/dbraw/zinc/17/15/36/1065171536.db2.gz TXOIDXZAQCLYSG-IJLUTSLNSA-N 0 0 450.158 4.856 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001360329087 1065171899 /nfs/dbraw/zinc/17/18/99/1065171899.db2.gz RHDIWUMJVYMKQG-JPYJTQIMSA-N 0 0 466.548 4.572 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(Br)c2I)[C@@H]1C ZINC001436087859 1065172067 /nfs/dbraw/zinc/17/20/67/1065172067.db2.gz UOHHCMGLWOPONZ-UTUOFQBUSA-N 0 0 450.158 4.856 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCc3nccs3)n2CC(C)(C)c2cccc(F)c2)CCOC1 ZINC001360329529 1065172245 /nfs/dbraw/zinc/17/22/45/1065172245.db2.gz ZNTAMBXYDAFPJI-VWLOTQADSA-N 0 0 487.645 4.571 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3cccs3)C(C)C)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360329640 1065172273 /nfs/dbraw/zinc/17/22/73/1065172273.db2.gz BFJPFESBKOAENK-DQEYMECFSA-N 0 0 476.687 4.736 20 0 JJADRN Cn1cc([C@H](NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C(F)(F)F)cn1 ZINC001436089802 1065172909 /nfs/dbraw/zinc/17/29/09/1065172909.db2.gz WAQJSZXZJWOWFC-FQEVSTJZSA-N 0 0 459.859 4.960 20 0 JJADRN CSc1ccc(CCNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001436089307 1065172924 /nfs/dbraw/zinc/17/29/24/1065172924.db2.gz SSNNTTMJWIPMIJ-UHFFFAOYSA-N 0 0 457.642 4.936 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@]2(O)CCCC2(C)C)CCOC1 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JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)cn1 ZINC001360354561 1065203795 /nfs/dbraw/zinc/20/37/95/1065203795.db2.gz SJLUMRYHASLLEO-UHFFFAOYSA-N 0 0 463.626 4.860 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC001360354791 1065204336 /nfs/dbraw/zinc/20/43/36/1065204336.db2.gz XCBXHCVMKWTNEG-CVCYQNGTSA-N 0 0 455.628 4.567 20 0 JJADRN CO[C@@H]1CCC[C@H](C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)C1 ZINC001436131610 1065204354 /nfs/dbraw/zinc/20/43/54/1065204354.db2.gz KHFOJSQUULVJDW-HQRMLTQVSA-N 0 0 456.446 4.757 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)c2)C1 ZINC001436131945 1065204437 /nfs/dbraw/zinc/20/44/37/1065204437.db2.gz ZEGBZGLOSDTEHK-KQZHTCIUSA-N 0 0 458.599 4.558 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC001360355353 1065204726 /nfs/dbraw/zinc/20/47/26/1065204726.db2.gz SQCKALNMWNKIAN-GGAORHGYSA-N 0 0 452.551 4.886 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(C)C ZINC001360355437 1065205394 /nfs/dbraw/zinc/20/53/94/1065205394.db2.gz VTYIVBRBLSXCKY-IBGZPJMESA-N 0 0 454.328 4.607 20 0 JJADRN CCc1c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001436134422 1065205803 /nfs/dbraw/zinc/20/58/03/1065205803.db2.gz GMWSGUZGDLFGNW-MRXNPFEDSA-N 0 0 450.486 4.721 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC001360356066 1065205826 /nfs/dbraw/zinc/20/58/26/1065205826.db2.gz NBSSMOUEWHFLFU-GDTDKIKOSA-N 0 0 467.639 4.711 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001360355861 1065205845 /nfs/dbraw/zinc/20/58/45/1065205845.db2.gz IBFLRSOCZDEDFB-GOSISDBHSA-N 0 0 484.645 4.516 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001360355996 1065205885 /nfs/dbraw/zinc/20/58/85/1065205885.db2.gz LNUUYTWBPLJZKX-UHFFFAOYSA-N 0 0 493.574 4.666 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cn1 ZINC001360355872 1065205964 /nfs/dbraw/zinc/20/59/64/1065205964.db2.gz ILGNXQQSPHJCIC-LJQANCHMSA-N 0 0 484.645 4.612 20 0 JJADRN COc1cc(C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC001436134055 1065205930 /nfs/dbraw/zinc/20/59/30/1065205930.db2.gz GVYSPQCAYPRTEM-OAQYLSRUSA-N 0 0 452.938 4.616 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001360356238 1065206418 /nfs/dbraw/zinc/20/64/18/1065206418.db2.gz RKRJZYMOVWPFBQ-UHFFFAOYSA-N 0 0 489.527 4.682 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1 ZINC001436135428 1065206997 /nfs/dbraw/zinc/20/69/97/1065206997.db2.gz ODYNVQAFHJNPFW-UHFFFAOYSA-N 0 0 459.252 4.786 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@H](C(C)C)C2)cn1 ZINC001360356953 1065207596 /nfs/dbraw/zinc/20/75/96/1065207596.db2.gz AZDHLCPODCBUSB-FQEVSTJZSA-N 0 0 457.669 4.739 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2F)cn1 ZINC001360356981 1065207628 /nfs/dbraw/zinc/20/76/28/1065207628.db2.gz BTJKTSGGROHZKV-UHFFFAOYSA-N 0 0 451.571 4.936 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@@H](C(C)C)C2)cn1 ZINC001360356954 1065207658 /nfs/dbraw/zinc/20/76/58/1065207658.db2.gz AZDHLCPODCBUSB-HXUWFJFHSA-N 0 0 457.669 4.739 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001360357089 1065207781 /nfs/dbraw/zinc/20/77/81/1065207781.db2.gz NPCGUGDTRZTRRV-PBHICJAKSA-N 0 0 455.530 4.935 20 0 JJADRN O=C(COc1ccc2ccccc2c1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001436137504 1065208626 /nfs/dbraw/zinc/20/86/26/1065208626.db2.gz JDDIKPDTPDONDR-UHFFFAOYSA-N 0 0 453.336 4.856 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N3CCCCC[C@H]3c3ccc(C(F)(F)F)cc3)ccc2c1=O ZINC001436138556 1065209181 /nfs/dbraw/zinc/20/91/81/1065209181.db2.gz QMZWINMYJRTMMO-FQEVSTJZSA-N 0 0 459.468 4.898 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccn2)CC1 ZINC001360357817 1065209430 /nfs/dbraw/zinc/20/94/30/1065209430.db2.gz YQYYFWKJBLKYRM-WWUKTEJISA-N 0 0 455.986 4.528 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCC(C(=O)c4ccc(O)cc4)CC3)nnc2C(C)(C)C)cn1 ZINC001360357718 1065209454 /nfs/dbraw/zinc/20/94/54/1065209454.db2.gz OGPPKJZLTGIVDG-UHFFFAOYSA-N 0 0 477.609 4.611 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)c3ccnn3CC(F)(F)F)CC2)n1 ZINC001436139203 1065209717 /nfs/dbraw/zinc/20/97/17/1065209717.db2.gz VCTAVGCRMGLYEC-UHFFFAOYSA-N 0 0 450.486 4.597 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)Oc2ccccc21 ZINC001436139604 1065209872 /nfs/dbraw/zinc/20/98/72/1065209872.db2.gz YIOYTSJHSKLMJF-FYYLOGMGSA-N 0 0 459.384 4.641 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCn3cc(C(F)(F)F)nc3C2)cc1 ZINC001360357944 1065209917 /nfs/dbraw/zinc/20/99/17/1065209917.db2.gz RLBXUOLMQYJUOE-UHFFFAOYSA-N 0 0 476.547 4.938 20 0 JJADRN Cc1ccc(Br)c(OC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1F ZINC001436140116 1065210311 /nfs/dbraw/zinc/21/03/11/1065210311.db2.gz FEUSJWNTWAVYPX-NSHDSACASA-N 0 0 457.093 4.691 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc(OCc2ccccc2)c1 ZINC001436139943 1065210399 /nfs/dbraw/zinc/21/03/99/1065210399.db2.gz CLJOWYIWTPERET-FXAWDEMLSA-N 0 0 450.485 4.774 20 0 JJADRN CC(C)(NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001436140310 1065210494 /nfs/dbraw/zinc/21/04/94/1065210494.db2.gz FWGZWTRFBMWZGL-UHFFFAOYSA-N 0 0 455.498 4.967 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)cn1 ZINC001360358173 1065210429 /nfs/dbraw/zinc/21/04/29/1065210429.db2.gz ZJXXKBHUOOBMLO-JOCHJYFZSA-N 0 0 470.017 4.758 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001360358324 1065210601 /nfs/dbraw/zinc/21/06/01/1065210601.db2.gz CZSZOKDZVOUCOX-UHFFFAOYSA-N 0 0 455.530 4.632 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1)n1nnc(-c2ccccc2)n1 ZINC001436140650 1065210801 /nfs/dbraw/zinc/21/08/01/1065210801.db2.gz JSMBVTCBDRHAAR-NBGIEHNGSA-N 0 0 455.562 4.994 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC001360358759 1065210818 /nfs/dbraw/zinc/21/08/18/1065210818.db2.gz NXFSPOYUOMZKOX-UHFFFAOYSA-N 0 0 451.542 4.972 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc(C(F)(F)F)c1 ZINC001360358997 1065211009 /nfs/dbraw/zinc/21/10/09/1065211009.db2.gz UQPBFRWMVFXKSW-UHFFFAOYSA-N 0 0 459.428 4.731 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1 ZINC001360359264 1065211353 /nfs/dbraw/zinc/21/13/53/1065211353.db2.gz BXNVYARWNZQDHL-UHFFFAOYSA-N 0 0 450.608 4.900 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001436141695 1065211539 /nfs/dbraw/zinc/21/15/39/1065211539.db2.gz ALDICHKMEBPCFA-GUAAGHCTSA-N 0 0 452.570 4.977 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001360359749 1065211914 /nfs/dbraw/zinc/21/19/14/1065211914.db2.gz JJGMGCZEEWUZRP-UHFFFAOYSA-N 0 0 468.508 4.742 20 0 JJADRN C[C@@H](CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)Oc1ccccc1 ZINC001360360030 1065212747 /nfs/dbraw/zinc/21/27/47/1065212747.db2.gz MOJQLMCNACBLFY-IBGZPJMESA-N 0 0 451.567 4.753 20 0 JJADRN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC001436146052 1065213237 /nfs/dbraw/zinc/21/32/37/1065213237.db2.gz GZWODVHUUJXGJN-MRXNPFEDSA-N 0 0 455.498 4.939 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001360360160 1065213292 /nfs/dbraw/zinc/21/32/92/1065213292.db2.gz PFIJFGBNRMNBQO-QGZVFWFLSA-N 0 0 495.571 4.924 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1C[C@@H](OC)C(C)C ZINC001545895775 1065213697 /nfs/dbraw/zinc/21/36/97/1065213697.db2.gz FHUJCLBEJJAAHO-GBXCKJPGSA-N 0 0 480.657 4.733 20 0 JJADRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC001436148089 1065214325 /nfs/dbraw/zinc/21/43/25/1065214325.db2.gz DRIZNIUMAOWODF-DJJJIMSYSA-N 0 0 454.061 4.941 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1NC(=O)c1ccccc1F ZINC001436149528 1065214860 /nfs/dbraw/zinc/21/48/60/1065214860.db2.gz XYAZMBKAJOGHHF-SFHVURJKSA-N 0 0 451.473 4.604 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(CN(C)Cc4cscn4)c3)cc2)C[C@@H](C)O1 ZINC001360360827 1065215005 /nfs/dbraw/zinc/21/50/05/1065215005.db2.gz XOFZPYFZAGRCMN-RTBURBONSA-N 0 0 450.608 4.641 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cc1NC(=O)c1ccccc1F ZINC001436149526 1065215135 /nfs/dbraw/zinc/21/51/35/1065215135.db2.gz XYAZMBKAJOGHHF-GOSISDBHSA-N 0 0 451.473 4.604 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360361692 1065216123 /nfs/dbraw/zinc/21/61/23/1065216123.db2.gz XGSWZUCNQDXJKI-HXUWFJFHSA-N 0 0 494.640 4.565 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001360361712 1065216199 /nfs/dbraw/zinc/21/61/99/1065216199.db2.gz YAFBEWIKBWMRBF-HXUWFJFHSA-N 0 0 481.645 4.627 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 ZINC001436150990 1065216131 /nfs/dbraw/zinc/21/61/31/1065216131.db2.gz OLKLEXGCBTTXKC-KSSFIOAISA-N 0 0 456.384 4.919 20 0 JJADRN O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001436151685 1065216596 /nfs/dbraw/zinc/21/65/96/1065216596.db2.gz KBHDMBGBYGMBMH-INIZCTEOSA-N 0 0 457.299 4.958 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001436151745 1065216613 /nfs/dbraw/zinc/21/66/13/1065216613.db2.gz LAYYCNJTYUGASD-AWEZNQCLSA-N 0 0 453.461 4.538 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001360362077 1065217070 /nfs/dbraw/zinc/21/70/70/1065217070.db2.gz JJNCBDDUEINAID-DEOSSOPVSA-N 0 0 481.012 4.553 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001360362126 1065217083 /nfs/dbraw/zinc/21/70/83/1065217083.db2.gz KZDFYPYUHWREFG-ZIEJVCCYSA-N 0 0 483.657 4.977 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1C ZINC001436153675 1065217624 /nfs/dbraw/zinc/21/76/24/1065217624.db2.gz CLXHZSLQFVOUGI-XJKSGUPXSA-N 0 0 469.376 4.566 20 0 JJADRN COc1ccc(NC(=O)c2ccc(OC(C)C)c(C(C)=O)c2)c(I)c1 ZINC001436153391 1065217697 /nfs/dbraw/zinc/21/76/97/1065217697.db2.gz BQUGYZQZKORQRK-UHFFFAOYSA-N 0 0 453.276 4.542 20 0 JJADRN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001436153646 1065217836 /nfs/dbraw/zinc/21/78/36/1065217836.db2.gz DXACDVYFYOMTST-LLVKDONJSA-N 0 0 458.814 4.795 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)CCC2=O)cc1C ZINC001436154691 1065218251 /nfs/dbraw/zinc/21/82/51/1065218251.db2.gz MTVJQQZHDCDKOB-AWEZNQCLSA-N 0 0 458.946 4.996 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001436154173 1065218280 /nfs/dbraw/zinc/21/82/80/1065218280.db2.gz CHGSSILYZRCSLE-KRWDZBQOSA-N 0 0 455.408 4.636 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1C(C)(C)C ZINC001360362773 1065218338 /nfs/dbraw/zinc/21/83/38/1065218338.db2.gz WZQKUKHQGPNUFU-UHFFFAOYSA-N 0 0 462.520 4.647 20 0 JJADRN CC(C)OC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360362870 1065218589 /nfs/dbraw/zinc/21/85/89/1065218589.db2.gz YTRKZANOYNNUQF-IBGZPJMESA-N 0 0 463.667 4.617 20 0 JJADRN COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(I)c1 ZINC001436155261 1065218598 /nfs/dbraw/zinc/21/85/98/1065218598.db2.gz MCLIOQBNEHVEIK-UHFFFAOYSA-N 0 0 454.651 4.861 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC001436155098 1065218772 /nfs/dbraw/zinc/21/87/72/1065218772.db2.gz PHTTZUZTZFYZKR-QGZVFWFLSA-N 0 0 458.333 4.829 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(Br)n2)CC1 ZINC001360363644 1065219260 /nfs/dbraw/zinc/21/92/60/1065219260.db2.gz BFQSMUBRGYVBGR-UHFFFAOYSA-N 0 0 491.821 4.593 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NCCCc2cccc(Br)c2)c1 ZINC001360363176 1065219416 /nfs/dbraw/zinc/21/94/16/1065219416.db2.gz UDMJKXOZDKONRM-UHFFFAOYSA-N 0 0 457.162 4.591 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001436156420 1065219363 /nfs/dbraw/zinc/21/93/63/1065219363.db2.gz WNWICOUOQJABSK-RMLVOYDJSA-N 0 0 457.137 4.790 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCc2cc(Br)ccc2F)n1 ZINC001436155690 1065219428 /nfs/dbraw/zinc/21/94/28/1065219428.db2.gz YPOVLSBUNKNQEC-INIZCTEOSA-N 0 0 455.349 4.518 20 0 JJADRN Cc1nc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)nn1-c1ccccc1C(C)C ZINC001436156505 1065219438 /nfs/dbraw/zinc/21/94/38/1065219438.db2.gz XWXROGPTOVWGHW-QFBILLFUSA-N 0 0 457.347 4.887 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)C(F)(F)c2ccc(Br)cc2)n1 ZINC001436155711 1065219462 /nfs/dbraw/zinc/21/94/62/1065219462.db2.gz YRSQLIXVXLSDPW-CQSZACIVSA-N 0 0 459.312 4.538 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CC(F)(F)F)CC1 ZINC001360363747 1065219927 /nfs/dbraw/zinc/21/99/27/1065219927.db2.gz CSNMKTMAPTZHSU-UHFFFAOYSA-N 0 0 477.934 4.626 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(F)cc1I ZINC001360364300 1065220396 /nfs/dbraw/zinc/22/03/96/1065220396.db2.gz LBADBLNSDPXRNW-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCO2)CC1 ZINC001360364158 1065220973 /nfs/dbraw/zinc/22/09/73/1065220973.db2.gz JZYGDMYSNKWSOF-MRXNPFEDSA-N 0 0 469.449 4.732 20 0 JJADRN CC(C)(C)n1cc(C(=O)Nc2cc3ccccc3nc2Br)c(Br)n1 ZINC001436159312 1065221439 /nfs/dbraw/zinc/22/14/39/1065221439.db2.gz SAMKUCRYXJPNTP-UHFFFAOYSA-N 0 0 452.150 4.964 20 0 JJADRN Cc1ccc(Br)c(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC001436160773 1065221998 /nfs/dbraw/zinc/22/19/98/1065221998.db2.gz MBYMOIRDEFXZBD-INIZCTEOSA-N 0 0 456.167 4.990 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c1Br ZINC001436161018 1065222157 /nfs/dbraw/zinc/22/21/57/1065222157.db2.gz DWGINMPERKTKDM-UHFFFAOYSA-N 0 0 457.328 4.501 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360364795 1065222144 /nfs/dbraw/zinc/22/21/44/1065222144.db2.gz RPSMKVMOKXWXPK-FQEVSTJZSA-N 0 0 463.022 4.578 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1CCc1ccccc1C(F)(F)F ZINC001545895825 1065222573 /nfs/dbraw/zinc/22/25/73/1065222573.db2.gz GHZSSSBNGFOSCG-MRXNPFEDSA-N 0 0 451.537 4.694 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)c1Br ZINC001436161419 1065222736 /nfs/dbraw/zinc/22/27/36/1065222736.db2.gz IIGFMSNDOLQGBM-UHFFFAOYSA-N 0 0 454.733 4.603 20 0 JJADRN COC(=O)c1cccc(NC(=O)C2(c3ccccc3Br)CC2)c1Br ZINC001436162213 1065222804 /nfs/dbraw/zinc/22/28/04/1065222804.db2.gz QSYZTYBPMCOMLZ-UHFFFAOYSA-N 0 0 453.130 4.669 20 0 JJADRN O=C(Cc1csc(-c2ccoc2)n1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001436162292 1065223273 /nfs/dbraw/zinc/22/32/73/1065223273.db2.gz XAKZIWYRBDZKNC-MRXNPFEDSA-N 0 0 450.347 4.564 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC001360365841 1065223716 /nfs/dbraw/zinc/22/37/16/1065223716.db2.gz CEGAWMYAQBMFRH-HFMPRLQTSA-N 0 0 454.636 4.509 20 0 JJADRN CNC(=O)CC[C@@H]1CCCCN1C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC001436165350 1065224438 /nfs/dbraw/zinc/22/44/38/1065224438.db2.gz CJRZCZUCSJONSD-FQEVSTJZSA-N 0 0 453.533 4.953 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360366396 1065224520 /nfs/dbraw/zinc/22/45/20/1065224520.db2.gz AFBSHSLHJLGTQF-DFBJGRDBSA-N 0 0 476.612 4.992 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC001436165894 1065224842 /nfs/dbraw/zinc/22/48/42/1065224842.db2.gz RCWCLUNMTNZMGV-XMMPIXPASA-N 0 0 452.595 4.976 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC001436165451 1065225039 /nfs/dbraw/zinc/22/50/39/1065225039.db2.gz CQGZHZAGANPVRI-QMTMVMCOSA-N 0 0 451.995 4.698 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)N1C(=O)c2ccccc2C1=O ZINC001436166888 1065225300 /nfs/dbraw/zinc/22/53/00/1065225300.db2.gz KGJOGMUCJMPPFF-RHGYRFJNSA-N 0 0 457.530 4.762 20 0 JJADRN Cn1c2ccc(OC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)cc2n(C)c1=O ZINC001436167064 1065225432 /nfs/dbraw/zinc/22/54/32/1065225432.db2.gz HWHFEGUIVDAFQO-UHFFFAOYSA-N 0 0 457.313 4.982 20 0 JJADRN CC(C)OC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360366740 1065225556 /nfs/dbraw/zinc/22/55/56/1065225556.db2.gz HMPKVHOAWWIFFL-JOCHJYFZSA-N 0 0 493.618 4.731 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360366910 1065225584 /nfs/dbraw/zinc/22/55/84/1065225584.db2.gz MOPIVTTWXURUEK-UHFFFAOYSA-N 0 0 471.574 4.848 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)c2c1 ZINC001436169561 1065226916 /nfs/dbraw/zinc/22/69/16/1065226916.db2.gz MYQNGEXQMBAAKM-VBURHUQHSA-N 0 0 453.583 4.885 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)O[C@@H](c1ccc(Br)c(C)c1)C(F)(F)F ZINC001436169760 1065227067 /nfs/dbraw/zinc/22/70/67/1065227067.db2.gz ORKWQWXTZIXPSD-AWEZNQCLSA-N 0 0 455.248 4.523 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCC2)CCO1 ZINC001360367832 1065227339 /nfs/dbraw/zinc/22/73/39/1065227339.db2.gz NAYCBJQPSZHISK-ACRUOGEOSA-N 0 0 458.578 4.544 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001436170562 1065227413 /nfs/dbraw/zinc/22/74/13/1065227413.db2.gz MPQPWKCQBTVZOS-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN Cc1cc(-c2cc(C(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)c3c(C)noc3n2)c(C)o1 ZINC001436170627 1065227438 /nfs/dbraw/zinc/22/74/38/1065227438.db2.gz MYSKGAWRILCHPW-QGZVFWFLSA-N 0 0 454.527 4.537 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)CCc1cccc(F)c1Br ZINC001436171586 1065228115 /nfs/dbraw/zinc/22/81/15/1065228115.db2.gz WIOVENROFCBSBM-TYILLQQXSA-N 0 0 457.384 4.671 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001436171497 1065228161 /nfs/dbraw/zinc/22/81/61/1065228161.db2.gz RZMBGWZDSQFIFF-CYBMUJFWSA-N 0 0 451.283 4.551 20 0 JJADRN C[C@@H](NC(=O)CCOc1ccccc1I)c1nc2ccccc2s1 ZINC001360368625 1065228254 /nfs/dbraw/zinc/22/82/54/1065228254.db2.gz JBIUSIOEMCGWKY-GFCCVEGCSA-N 0 0 452.317 4.547 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H](C)c3nc4ccccc4s3)CC2=O)ccc1Br ZINC001360368953 1065228281 /nfs/dbraw/zinc/22/82/81/1065228281.db2.gz SWUYKOPCQNTIQC-KGLIPLIRSA-N 0 0 458.381 4.598 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC2CCC(C(F)(F)F)CC2)CCO1 ZINC001360370086 1065228948 /nfs/dbraw/zinc/22/89/48/1065228948.db2.gz DDTMNPSJFTUFGK-MNLRITNHSA-N 0 0 466.548 4.944 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001360370016 1065229026 /nfs/dbraw/zinc/22/90/26/1065229026.db2.gz BZMQOMFDIYXZLU-WBVHZDCISA-N 0 0 481.410 4.523 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001436173604 1065229166 /nfs/dbraw/zinc/22/91/66/1065229166.db2.gz JHFYBHONVPZHRV-DEOSSOPVSA-N 0 0 457.496 4.568 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 ZINC001436175101 1065229628 /nfs/dbraw/zinc/22/96/28/1065229628.db2.gz LLPVFSNFPFPMJA-HZPDHXFCSA-N 0 0 452.580 4.559 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CSCCS2)CCO1 ZINC001360370543 1065229930 /nfs/dbraw/zinc/22/99/30/1065229930.db2.gz NNVRDRNHWOSRHY-FCHUYYIVSA-N 0 0 490.739 4.721 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(-c2c(F)cccc2F)no1 ZINC001436176312 1065230314 /nfs/dbraw/zinc/23/03/14/1065230314.db2.gz DWJZXYBBIYOSEU-NRFANRHFSA-N 0 0 452.379 4.770 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccccn2)CCO1 ZINC001360370884 1065230490 /nfs/dbraw/zinc/23/04/90/1065230490.db2.gz ULMXPHSZFLQGHZ-XMMPIXPASA-N 0 0 463.626 4.511 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)CCO1 ZINC001360371222 1065231769 /nfs/dbraw/zinc/23/17/69/1065231769.db2.gz ARJKGKZQARQWEG-UNMCSNQZSA-N 0 0 458.672 4.528 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(C(F)(F)F)cnc1Cl ZINC001436178154 1065231702 /nfs/dbraw/zinc/23/17/02/1065231702.db2.gz RVLDBOJWQPUXTK-KRWDZBQOSA-N 0 0 452.782 4.904 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360374046 1065231978 /nfs/dbraw/zinc/23/19/78/1065231978.db2.gz LHVLYSPITVCBRU-AZUAARDMSA-N 0 0 455.498 4.790 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360374049 1065232240 /nfs/dbraw/zinc/23/22/40/1065232240.db2.gz LHVLYSPITVCBRU-UYAOXDASSA-N 0 0 455.498 4.790 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccc(C)o1)c1ccc(F)cc1 ZINC001360374189 1065232639 /nfs/dbraw/zinc/23/26/39/1065232639.db2.gz QQNSYXFOTWRAEU-HSZRJFAPSA-N 0 0 454.498 4.592 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(F)(F)F)CCO1 ZINC001360374696 1065232783 /nfs/dbraw/zinc/23/27/83/1065232783.db2.gz FPOWPKZRIUOUGI-HXUWFJFHSA-N 0 0 468.564 4.672 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)[C@H](c3c(F)cccc3Cl)N3CCCCC3)cn2)cc1 ZINC001436180593 1065232698 /nfs/dbraw/zinc/23/26/98/1065232698.db2.gz ALYQGPAKMAKDER-QHCPKHFHSA-N 0 0 456.949 4.898 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001436180573 1065232793 /nfs/dbraw/zinc/23/27/93/1065232793.db2.gz DFSDBRPGWJMDCS-NRFANRHFSA-N 0 0 457.412 4.719 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360376269 1065233809 /nfs/dbraw/zinc/23/38/09/1065233809.db2.gz ZDJDCOHKCUIKGP-IBGZPJMESA-N 0 0 460.669 4.600 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccsc2)CCO1 ZINC001360376242 1065233911 /nfs/dbraw/zinc/23/39/11/1065233911.db2.gz YVHZGSUAJVBECJ-LJQANCHMSA-N 0 0 479.071 4.964 20 0 JJADRN Cc1cc(I)cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC001436181730 1065233832 /nfs/dbraw/zinc/23/38/32/1065233832.db2.gz JMNPSOJUABFDHM-UHFFFAOYSA-N 0 0 459.209 4.607 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)c3cc(Br)ccc3OC(F)F)cn2)cc1 ZINC001436182149 1065233884 /nfs/dbraw/zinc/23/38/84/1065233884.db2.gz LQCTVJHSBPURGU-UHFFFAOYSA-N 0 0 452.255 4.556 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001436182226 1065233916 /nfs/dbraw/zinc/23/39/16/1065233916.db2.gz MHJCLCKWIYKNGY-HXUWFJFHSA-N 0 0 453.384 4.650 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)cn2)cc1 ZINC001436182250 1065233930 /nfs/dbraw/zinc/23/39/30/1065233930.db2.gz MXBZBBZXODPMSR-UHFFFAOYSA-N 0 0 457.534 4.685 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001436182819 1065234305 /nfs/dbraw/zinc/23/43/05/1065234305.db2.gz OOHLJWKEIOUXFY-FQEVSTJZSA-N 0 0 453.384 4.650 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC001436182764 1065234440 /nfs/dbraw/zinc/23/44/40/1065234440.db2.gz NZOTVGCGDVXFSY-QSAZIKIQSA-N 0 0 465.432 4.519 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001436184107 1065235737 /nfs/dbraw/zinc/23/57/37/1065235737.db2.gz YHECDIIQWDNYJU-GOSISDBHSA-N 0 0 455.352 4.571 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001360376555 1065235644 /nfs/dbraw/zinc/23/56/44/1065235644.db2.gz HGHCSOKGRRHHLC-UHFFFAOYSA-N 0 0 480.028 4.638 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCc2ccccc2Br)C1 ZINC001436184710 1065236241 /nfs/dbraw/zinc/23/62/41/1065236241.db2.gz AFSWTTKPBFDDNX-HKUYNNGSSA-N 0 0 451.405 4.631 20 0 JJADRN CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001360376749 1065236233 /nfs/dbraw/zinc/23/62/33/1065236233.db2.gz NDSCKYDQRRTUAP-RBBKRZOGSA-N 0 0 462.598 4.513 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001360376735 1065236301 /nfs/dbraw/zinc/23/63/01/1065236301.db2.gz MXONBFIMPBCMCQ-RUZDIDTESA-N 0 0 494.583 4.526 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC001436186064 1065236875 /nfs/dbraw/zinc/23/68/75/1065236875.db2.gz NQFYGQIHBDPTEX-MRXNPFEDSA-N 0 0 455.967 4.973 20 0 JJADRN CC(C)OCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001360376842 1065236816 /nfs/dbraw/zinc/23/68/16/1065236816.db2.gz PSMQHYNDUVHBKA-HXUWFJFHSA-N 0 0 488.702 4.683 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001545895966 1065237424 /nfs/dbraw/zinc/23/74/24/1065237424.db2.gz IOTPLUHUQOOVIW-ZBLYBZFDSA-N 0 0 467.658 4.712 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H](Oc3ccccc3OC)C2)CC1=O ZINC001436187127 1065237470 /nfs/dbraw/zinc/23/74/70/1065237470.db2.gz YRGXBHTVLIFBEW-HBMCJLEFSA-N 0 0 450.579 4.632 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(C)(C)C1 ZINC001360377006 1065237477 /nfs/dbraw/zinc/23/74/77/1065237477.db2.gz USRRMULBMOYRMR-UHFFFAOYSA-N 0 0 456.454 4.573 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001360377098 1065237505 /nfs/dbraw/zinc/23/75/05/1065237505.db2.gz XHMGGMFEQLWREF-IBGZPJMESA-N 0 0 462.019 4.838 20 0 JJADRN CC(C)c1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)nn1-c1ccccc1 ZINC001436187360 1065237561 /nfs/dbraw/zinc/23/75/61/1065237561.db2.gz SXGFAVACOQSXCQ-QFIPXVFZSA-N 0 0 452.599 4.859 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC001436187292 1065237581 /nfs/dbraw/zinc/23/75/81/1065237581.db2.gz SKSVIMYNAQUPJY-CQSZACIVSA-N 0 0 459.331 4.591 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001436187764 1065238072 /nfs/dbraw/zinc/23/80/72/1065238072.db2.gz FXDBUGWCAAJMMR-SCLBCKFNSA-N 0 0 454.354 4.792 20 0 JJADRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC001436187779 1065238207 /nfs/dbraw/zinc/23/82/07/1065238207.db2.gz WVOZYRZJUPHQQQ-IFMALSPDSA-N 0 0 452.599 4.859 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001360377163 1065238202 /nfs/dbraw/zinc/23/82/02/1065238202.db2.gz ZFYGQEWZOQICBP-LJQANCHMSA-N 0 0 485.629 4.720 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)NCC(=O)Nc2cc(Br)ccc2C)s1 ZINC001360377460 1065238664 /nfs/dbraw/zinc/23/86/64/1065238664.db2.gz KJRWAGRJMQNROE-UHFFFAOYSA-N 0 0 459.365 4.863 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001360377673 1065238691 /nfs/dbraw/zinc/23/86/91/1065238691.db2.gz RGRAKWXLHVITCG-UHFFFAOYSA-N 0 0 455.377 4.953 20 0 JJADRN O=C(Oc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001360378246 1065238761 /nfs/dbraw/zinc/23/87/61/1065238761.db2.gz KYFVOHQAZTVSDZ-LLVKDONJSA-N 0 0 450.160 4.589 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC001436188907 1065239218 /nfs/dbraw/zinc/23/92/18/1065239218.db2.gz ANBHMPKCKCMLOR-FQEVSTJZSA-N 0 0 458.624 4.572 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360379023 1065239133 /nfs/dbraw/zinc/23/91/33/1065239133.db2.gz IWOFLLWPMSFEDO-IBGZPJMESA-N 0 0 475.609 4.783 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360379284 1065239735 /nfs/dbraw/zinc/23/97/35/1065239735.db2.gz RLYGFGPOXQWCJU-HXUWFJFHSA-N 0 0 483.426 4.913 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360379283 1065239763 /nfs/dbraw/zinc/23/97/63/1065239763.db2.gz RLYGFGPOXQWCJU-FQEVSTJZSA-N 0 0 483.426 4.913 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccccc2OC(C)C)C1=O ZINC001436189286 1065239807 /nfs/dbraw/zinc/23/98/07/1065239807.db2.gz HHESBBWOBFFSFF-LJQANCHMSA-N 0 0 459.384 4.779 20 0 JJADRN COC(=O)C(C)(C)CCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001436190293 1065240315 /nfs/dbraw/zinc/24/03/15/1065240315.db2.gz DSOBRMJLJDLAIN-UHFFFAOYSA-N 0 0 455.352 4.983 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC001436190452 1065240393 /nfs/dbraw/zinc/24/03/93/1065240393.db2.gz IIMYUHCINUUHLU-UHFFFAOYSA-N 0 0 455.864 4.808 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001360379511 1065240427 /nfs/dbraw/zinc/24/04/27/1065240427.db2.gz ZJNBQVHCRSZRJN-RTBURBONSA-N 0 0 477.447 4.776 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c(C)cc1Br ZINC001436191405 1065240742 /nfs/dbraw/zinc/24/07/42/1065240742.db2.gz LFYAUMUOSORVAJ-UONOGXRCSA-N 0 0 454.267 4.888 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379708 1065240962 /nfs/dbraw/zinc/24/09/62/1065240962.db2.gz DRVKTIRBKQYKGB-FCHUYYIVSA-N 0 0 472.605 4.616 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379709 1065241005 /nfs/dbraw/zinc/24/10/05/1065241005.db2.gz DRVKTIRBKQYKGB-FGZHOGPDSA-N 0 0 472.605 4.616 20 0 JJADRN O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001436191675 1065241435 /nfs/dbraw/zinc/24/14/35/1065241435.db2.gz PYJRGNBJAJSNNI-UHFFFAOYSA-N 0 0 451.247 4.879 20 0 JJADRN CCCOc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1OCCC ZINC001436191438 1065241483 /nfs/dbraw/zinc/24/14/83/1065241483.db2.gz SGDHSNQPFLOXNG-FQEVSTJZSA-N 0 0 457.571 4.909 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCC(=O)OC(C)(C)C)cc12 ZINC001360380663 1065242085 /nfs/dbraw/zinc/24/20/85/1065242085.db2.gz CFFCZXRKZGJEHJ-UHFFFAOYSA-N 0 0 454.379 4.833 20 0 JJADRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC001360380684 1065242094 /nfs/dbraw/zinc/24/20/94/1065242094.db2.gz DCBRXQKLTCUEJT-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545896012 1065242252 /nfs/dbraw/zinc/24/22/52/1065242252.db2.gz JLDCJDABZIUNTB-DEOSSOPVSA-N 0 0 477.600 4.752 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)cc1N1CCCCC1 ZINC001360381517 1065242570 /nfs/dbraw/zinc/24/25/70/1065242570.db2.gz LAFCHZICOKEECR-UHFFFAOYSA-N 0 0 450.926 4.869 20 0 JJADRN CC(C)OCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 ZINC001360382447 1065244150 /nfs/dbraw/zinc/24/41/50/1065244150.db2.gz PRWGCNOWDSRBEI-OAQYLSRUSA-N 0 0 479.666 4.561 20 0 JJADRN CC(C)OCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360382736 1065244610 /nfs/dbraw/zinc/24/46/10/1065244610.db2.gz ZZJPQJHUSOJIPB-UHFFFAOYSA-N 0 0 450.574 4.746 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cnc(C(C)C)s2)C1=O ZINC001436197620 1065245376 /nfs/dbraw/zinc/24/53/76/1065245376.db2.gz XJJLXMHIUAMYLT-HNNXBMFYSA-N 0 0 450.402 4.571 20 0 JJADRN Cc1c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001436197675 1065245668 /nfs/dbraw/zinc/24/56/68/1065245668.db2.gz YSVQLFVJNWICHU-UHFFFAOYSA-N 0 0 451.926 4.668 20 0 JJADRN CSc1cccc(F)c1CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001436198864 1065246137 /nfs/dbraw/zinc/24/61/37/1065246137.db2.gz FTEQSKGOSWGWBC-UHFFFAOYSA-N 0 0 454.910 4.932 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1ncc(-c3cccnc3)s1)N2C(=O)OC(C)(C)C ZINC001436199075 1065246198 /nfs/dbraw/zinc/24/61/98/1065246198.db2.gz MJDFMNADBLVJHK-SFHVURJKSA-N 0 0 454.527 4.958 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2OC(C)(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360383757 1065246340 /nfs/dbraw/zinc/24/63/40/1065246340.db2.gz CWBSAMBZPHANNV-UHFFFAOYSA-N 0 0 457.575 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001360383658 1065246405 /nfs/dbraw/zinc/24/64/05/1065246405.db2.gz AHJHZVSEAYWSIB-LJQANCHMSA-N 0 0 456.562 4.545 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)C1 ZINC001436200353 1065246732 /nfs/dbraw/zinc/24/67/32/1065246732.db2.gz MVYZZZQMMBFODT-PXNSSMCTSA-N 0 0 459.823 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001360384635 1065247492 /nfs/dbraw/zinc/24/74/92/1065247492.db2.gz ZPBVXOKTHMSCDD-FQEVSTJZSA-N 0 0 451.542 4.958 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1 ZINC001436201439 1065247998 /nfs/dbraw/zinc/24/79/98/1065247998.db2.gz RKPSSAGBIHPHMC-UHFFFAOYSA-N 0 0 453.398 4.891 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545896066 1065248451 /nfs/dbraw/zinc/24/84/51/1065248451.db2.gz KNAZYLFSWPPNKV-MUUNZHRXSA-N 0 0 499.700 4.955 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360385681 1065249106 /nfs/dbraw/zinc/24/91/06/1065249106.db2.gz IOQSIGLSUGDFSF-OCCSQVGLSA-N 0 0 497.381 4.740 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001360385796 1065249157 /nfs/dbraw/zinc/24/91/57/1065249157.db2.gz KOHKIDGPNWPVJC-SFHVURJKSA-N 0 0 450.986 4.684 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C(F)F)NCC1(c2ccc(Br)s2)CCC1 ZINC001436204562 1065249596 /nfs/dbraw/zinc/24/95/96/1065249596.db2.gz OLHQNBDZISJHLX-UHFFFAOYSA-N 0 0 454.287 4.820 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC2CC2)CC1 ZINC001360386019 1065249589 /nfs/dbraw/zinc/24/95/89/1065249589.db2.gz ONYVZSJLSMJYRL-UHFFFAOYSA-N 0 0 450.986 4.948 20 0 JJADRN C[C@]1(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1(Br)Br ZINC001436204750 1065249946 /nfs/dbraw/zinc/24/99/46/1065249946.db2.gz ONDFHDHWAACWEK-GDBMZVCRSA-N 0 0 451.149 4.971 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)Nc2nc(-c3ccc(Br)cn3)cs2)CC1 ZINC001436207043 1065251702 /nfs/dbraw/zinc/25/17/02/1065251702.db2.gz YRLHZNAXDPPLLX-UHFFFAOYSA-N 0 0 452.374 4.666 20 0 JJADRN NC(=O)c1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(Cl)cc1Cl ZINC001436207497 1065251738 /nfs/dbraw/zinc/25/17/38/1065251738.db2.gz IDOUFDONYGQDJL-UHFFFAOYSA-N 0 0 454.766 4.974 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001436209114 1065252269 /nfs/dbraw/zinc/25/22/69/1065252269.db2.gz MVTWWPNVRDNVAI-AWEZNQCLSA-N 0 0 457.290 4.584 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001436209255 1065252629 /nfs/dbraw/zinc/25/26/29/1065252629.db2.gz NNTAJHBCLBMREM-IBGZPJMESA-N 0 0 454.324 4.737 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001436209681 1065252693 /nfs/dbraw/zinc/25/26/93/1065252693.db2.gz QWQFOAZHDUNYRM-MHECFPHRSA-N 0 0 450.579 4.593 20 0 JJADRN O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCN(c2cccc(Br)c2)CC1 ZINC001436210124 1065252993 /nfs/dbraw/zinc/25/29/93/1065252993.db2.gz VLDVMPWVQZFQEP-QHCPKHFHSA-N 0 0 451.364 4.918 20 0 JJADRN CC(C)OCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360389212 1065253134 /nfs/dbraw/zinc/25/31/34/1065253134.db2.gz GPWDPUVWNAKGQN-PMACEKPBSA-N 0 0 466.630 4.533 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001436210394 1065253221 /nfs/dbraw/zinc/25/32/21/1065253221.db2.gz KEOZIOFJGGHLCN-QGZVFWFLSA-N 0 0 454.324 4.595 20 0 JJADRN O=C(NCc1ccc(OC2CCCC2)cc1)c1ncc(Br)cc1Br ZINC001436210765 1065253845 /nfs/dbraw/zinc/25/38/45/1065253845.db2.gz MMGHIOHXEOPPGU-UHFFFAOYSA-N 0 0 454.162 4.858 20 0 JJADRN CC(C)OCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1Cc2ccccc2C1 ZINC001360389775 1065253676 /nfs/dbraw/zinc/25/36/76/1065253676.db2.gz WNQFDXJKYYAPMH-QHCPKHFHSA-N 0 0 497.684 4.811 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1Cc2ccccc2C1 ZINC001360389774 1065253830 /nfs/dbraw/zinc/25/38/30/1065253830.db2.gz WNQFDXJKYYAPMH-HSZRJFAPSA-N 0 0 497.684 4.811 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(OC3CCCC3)cc2)c1 ZINC001436211427 1065254484 /nfs/dbraw/zinc/25/44/84/1065254484.db2.gz QSQAYFBKHPOKIS-QHCPKHFHSA-N 0 0 454.567 4.899 20 0 JJADRN CC(C)OCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360390377 1065254787 /nfs/dbraw/zinc/25/47/87/1065254787.db2.gz KQCVMTJLNVRUEN-QGZVFWFLSA-N 0 0 497.543 4.717 20 0 JJADRN CC(C)OCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360390551 1065254862 /nfs/dbraw/zinc/25/48/62/1065254862.db2.gz NVDDPLITVOHBFI-ZCNNSNEGSA-N 0 0 499.647 4.935 20 0 JJADRN CC(C)OCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC1CCCC1 ZINC001360390758 1065255191 /nfs/dbraw/zinc/25/51/91/1065255191.db2.gz PTZMOYXMWQYSCV-IBGZPJMESA-N 0 0 465.639 4.518 20 0 JJADRN COCCCOc1ccc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1OC ZINC001436213043 1065255304 /nfs/dbraw/zinc/25/53/04/1065255304.db2.gz RWNJXNJOXSKRCD-SQJMNOBHSA-N 0 0 462.587 4.619 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360390943 1065255314 /nfs/dbraw/zinc/25/53/14/1065255314.db2.gz RBDIDYZOTKFNLZ-RBZQAINGSA-N 0 0 456.631 4.591 20 0 JJADRN CC(C)OCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360391299 1065255395 /nfs/dbraw/zinc/25/53/95/1065255395.db2.gz XDNRDPCPTXFMCQ-UHFFFAOYSA-N 0 0 464.433 4.539 20 0 JJADRN CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001360391329 1065255433 /nfs/dbraw/zinc/25/54/33/1065255433.db2.gz XIWLYURKVKJWMH-NRFANRHFSA-N 0 0 485.629 4.507 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1 ZINC001360392176 1065255805 /nfs/dbraw/zinc/25/58/05/1065255805.db2.gz JYVRQZQBVBCCEN-HSZRJFAPSA-N 0 0 451.592 4.732 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCC3=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001436213406 1065255931 /nfs/dbraw/zinc/25/59/31/1065255931.db2.gz LNRFLKFQSKGONF-VGSWGCGISA-N 0 0 457.933 4.543 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001436216028 1065257550 /nfs/dbraw/zinc/25/75/50/1065257550.db2.gz KZFCRBDYPPCJDT-OAHLLOKOSA-N 0 0 456.452 4.774 20 0 JJADRN CC(C)OCCCn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360393793 1065257612 /nfs/dbraw/zinc/25/76/12/1065257612.db2.gz ZGFSTONVFKBLJB-UHFFFAOYSA-N 0 0 495.462 4.829 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC001436215808 1065257763 /nfs/dbraw/zinc/25/77/63/1065257763.db2.gz BDZMSJVPJXVVIM-AWEZNQCLSA-N 0 0 458.950 4.546 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@H]2C)CC1 ZINC001360394213 1065258192 /nfs/dbraw/zinc/25/81/92/1065258192.db2.gz MQLGHEDKAGEIAK-HYBUGGRVSA-N 0 0 481.685 4.971 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3cc(Br)c(C)cc3OC)CC2)cc1Cl ZINC001436216489 1065258110 /nfs/dbraw/zinc/25/81/10/1065258110.db2.gz COXMENRINLLRNJ-UHFFFAOYSA-N 0 0 451.792 4.944 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1 ZINC001436216926 1065258248 /nfs/dbraw/zinc/25/82/48/1065258248.db2.gz YKQFSAOMHYLQIX-NRFANRHFSA-N 0 0 456.999 4.605 20 0 JJADRN CC(C)OCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360394160 1065258254 /nfs/dbraw/zinc/25/82/54/1065258254.db2.gz LFYOYARGNNANJD-QGFMHUBQSA-N 0 0 485.620 4.591 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1=O ZINC001436217296 1065258494 /nfs/dbraw/zinc/25/84/94/1065258494.db2.gz SCUTUWGLMXCJMD-MSOLQXFVSA-N 0 0 454.542 4.889 20 0 JJADRN COc1cc(C(=O)Nc2cncc(Cl)c2Br)ccc1OCc1cscn1 ZINC001436217105 1065258591 /nfs/dbraw/zinc/25/85/91/1065258591.db2.gz MYIFLSGBMHAPTJ-UHFFFAOYSA-N 0 0 454.733 4.794 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001360394587 1065258988 /nfs/dbraw/zinc/25/89/88/1065258988.db2.gz YPSQEXMFVYMVRA-FQEVSTJZSA-N 0 0 497.675 4.939 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(I)c(Cl)c1 ZINC001360394970 1065259033 /nfs/dbraw/zinc/25/90/33/1065259033.db2.gz NHKRWJYHGGRJSX-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001436217916 1065259052 /nfs/dbraw/zinc/25/90/52/1065259052.db2.gz RDCMSEZAJPBLIT-HXUWFJFHSA-N 0 0 456.587 4.601 20 0 JJADRN O=C(Nc1cncc(Cl)c1Br)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001436218045 1065259534 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O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc(Br)ccn1 ZINC001436222417 1065262674 /nfs/dbraw/zinc/26/26/74/1065262674.db2.gz JWAIUOJUYHGRRV-GOSISDBHSA-N 0 0 458.743 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3cnc(-c4cccnc4)s3)c2F)C1 ZINC001436222366 1065262707 /nfs/dbraw/zinc/26/27/07/1065262707.db2.gz LMCRSPOSMGIFIF-UHFFFAOYSA-N 0 0 454.527 4.890 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001360397770 1065262714 /nfs/dbraw/zinc/26/27/14/1065262714.db2.gz WZAILGGMYNWSHG-GFCCVEGCSA-N 0 0 467.355 4.973 20 0 JJADRN COC(=O)/C=C\c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C(=O)OC)o1 ZINC001360398184 1065262753 /nfs/dbraw/zinc/26/27/53/1065262753.db2.gz MLTREOISXKFLAV-XFXZXTDPSA-N 0 0 455.850 4.950 20 0 JJADRN CCc1nc2ccccc2c(C(=O)OCc2cn(-c3ccccc3Br)nn2)c1C ZINC001436222534 1065262784 /nfs/dbraw/zinc/26/27/84/1065262784.db2.gz MCFNJWZGLFTUTG-UHFFFAOYSA-N 0 0 451.324 4.806 20 0 JJADRN CC(C)OCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360398587 1065263276 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FPFGNNHTMXPSQH-UHFFFAOYSA-N 0 0 456.380 4.585 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1oc2ccccc2c1OC ZINC001545896254 1065264624 /nfs/dbraw/zinc/26/46/24/1065264624.db2.gz OMGNOCZHGYTEAC-QGZVFWFLSA-N 0 0 453.587 4.626 20 0 JJADRN Cc1ccc(OCC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c(C)c1 ZINC001360400673 1065265069 /nfs/dbraw/zinc/26/50/69/1065265069.db2.gz QINGLLGLHCKVIH-AREMUKBSSA-N 0 0 451.588 4.608 20 0 JJADRN Cc1ccc([C@H](NC(=O)COc2c(C)cccc2C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360401421 1065265090 /nfs/dbraw/zinc/26/50/90/1065265090.db2.gz ZPMKGLHIMYEZKO-RUZDIDTESA-N 0 0 451.588 4.608 20 0 JJADRN Cc1c(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)cnn1C1CCCCC1 ZINC001360401860 1065265504 /nfs/dbraw/zinc/26/55/04/1065265504.db2.gz FTQVEVWKEIUTLQ-QGZVFWFLSA-N 0 0 459.432 4.978 20 0 JJADRN O=C(Nc1nccn1Cc1ccccc1Cl)c1cc(F)ccc1I ZINC001436227197 1065265683 /nfs/dbraw/zinc/26/56/83/1065265683.db2.gz OBGUNOYNQLGIGI-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1nccn1Cc1ccccc1Cl ZINC001436227199 1065265753 /nfs/dbraw/zinc/26/57/53/1065265753.db2.gz ODYZZZMUBPWSTP-UHFFFAOYSA-N 0 0 451.695 4.750 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCCC(=O)OC(C)(C)C)CC1 ZINC001360401512 1065265629 /nfs/dbraw/zinc/26/56/29/1065265629.db2.gz BDMXAZDYPOZVFK-QGZVFWFLSA-N 0 0 453.421 4.556 20 0 JJADRN CC(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1 ZINC001360402357 1065266068 /nfs/dbraw/zinc/26/60/68/1065266068.db2.gz JNOFRRBTOKNYKN-NRFANRHFSA-N 0 0 487.620 4.519 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360402829 1065266100 /nfs/dbraw/zinc/26/61/00/1065266100.db2.gz PKYMXWOYFOXKHO-UNMCSNQZSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360403713 1065267084 /nfs/dbraw/zinc/26/70/84/1065267084.db2.gz WHNKNOUUHGHRNR-LEWJYISDSA-N 0 0 461.651 4.610 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 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CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)cc1 ZINC001436366311 1065303217 /nfs/dbraw/zinc/30/32/17/1065303217.db2.gz NIEPIRGFKMZAIY-VOQZNFBZSA-N 0 0 474.386 4.552 20 0 JJADRN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N[C@H](CC(=O)N(C)C)c3ccccc3)cc2)n1 ZINC001436366355 1065303271 /nfs/dbraw/zinc/30/32/71/1065303271.db2.gz RWKAIWVTYSJAEX-RUZDIDTESA-N 0 0 452.558 4.797 20 0 JJADRN COc1ccccc1-c1nnc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)s1 ZINC001436368370 1065303577 /nfs/dbraw/zinc/30/35/77/1065303577.db2.gz DZVOLKPTFFPTQN-FQEVSTJZSA-N 0 0 458.543 4.714 20 0 JJADRN C[C@H](Cn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001360429888 1065305040 /nfs/dbraw/zinc/30/50/40/1065305040.db2.gz ZAMXNWARHNVYOI-CABCVRRESA-N 0 0 451.562 4.964 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CC2)n1CCCn1cc(Br)cn1 ZINC001360429885 1065305074 /nfs/dbraw/zinc/30/50/74/1065305074.db2.gz YZIJICKMLQSBQC-CQSZACIVSA-N 0 0 479.373 4.756 20 0 JJADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)Cc1cc(Br)ccc1Cl ZINC001436378048 1065305325 /nfs/dbraw/zinc/30/53/25/1065305325.db2.gz BMBKLAILZPPQQI-UHFFFAOYSA-N 0 0 453.745 4.988 20 0 JJADRN O=C(c1ccccc1[S@@](=O)C(F)(F)F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001436377757 1065305384 /nfs/dbraw/zinc/30/53/84/1065305384.db2.gz CPXMXDIGKVIKJM-GDLZYMKVSA-N 0 0 456.433 4.809 20 0 JJADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001436380745 1065305910 /nfs/dbraw/zinc/30/59/10/1065305910.db2.gz RVQWVMJVRITQNM-UHFFFAOYSA-N 0 0 459.527 4.920 20 0 JJADRN CC(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001360430877 1065306052 /nfs/dbraw/zinc/30/60/52/1065306052.db2.gz APDZNFQGKSQKFB-INIZCTEOSA-N 0 0 454.525 4.837 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001360430310 1065306111 /nfs/dbraw/zinc/30/61/11/1065306111.db2.gz KWNZULPKBBBRCU-KIFXHHALSA-N 0 0 452.595 4.604 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC001360430434 1065306222 /nfs/dbraw/zinc/30/62/22/1065306222.db2.gz OGLXMPRLSVOZGI-UHFFFAOYSA-N 0 0 451.364 4.678 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccs1 ZINC001360431024 1065306892 /nfs/dbraw/zinc/30/68/92/1065306892.db2.gz DFMLHOFLLKCKKE-OAHLLOKOSA-N 0 0 468.533 4.705 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2csc(N(C)c3ccccc3)n2)sc1C(F)(F)F ZINC001436387565 1065307085 /nfs/dbraw/zinc/30/70/85/1065307085.db2.gz UVABEZVGRMGJJF-UHFFFAOYSA-N 0 0 456.471 4.815 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)o1 ZINC001360431617 1065307489 /nfs/dbraw/zinc/30/74/89/1065307489.db2.gz DGNWWCYEPBPUDG-OWBHPGMISA-N 0 0 458.470 4.737 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1CCC(=O)NC1CCCCC1 ZINC001360431271 1065307542 /nfs/dbraw/zinc/30/75/42/1065307542.db2.gz BZYFOHVMCZXKFD-SFHVURJKSA-N 0 0 450.562 4.516 20 0 JJADRN COc1cccc(N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC001436393494 1065307639 /nfs/dbraw/zinc/30/76/39/1065307639.db2.gz ZSUJVVSCXXKGOE-UHFFFAOYSA-N 0 0 450.560 4.848 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 ZINC001436388992 1065307654 /nfs/dbraw/zinc/30/76/54/1065307654.db2.gz ZXEWHIAOFUMWRR-DEOSSOPVSA-N 0 0 453.485 4.712 20 0 JJADRN C[C@H](c1cc2ccccc2o1)N(C)c1nnc([C@H]2CCOC2)n1CCCN(C)CC(F)(F)F ZINC001360431755 1065307939 /nfs/dbraw/zinc/30/79/39/1065307939.db2.gz LCKRLVWYVZHZPW-AEFFLSMTSA-N 0 0 465.520 4.610 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCOC2)n1CCSCC(F)(F)F ZINC001360431746 1065308060 /nfs/dbraw/zinc/30/80/60/1065308060.db2.gz KVWPJIHIAUYCAG-OCCSQVGLSA-N 0 0 450.477 4.553 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1 ZINC001436398920 1065309727 /nfs/dbraw/zinc/30/97/27/1065309727.db2.gz PZHRRXJVSBSGEJ-UHFFFAOYSA-N 0 0 454.592 4.546 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c(Cl)c1 ZINC001436403627 1065310260 /nfs/dbraw/zinc/31/02/60/1065310260.db2.gz QVCDDBPHTBMRFH-AWEZNQCLSA-N 0 0 451.748 4.986 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC1(C)C ZINC001360432792 1065310619 /nfs/dbraw/zinc/31/06/19/1065310619.db2.gz MBUJURJXJPPGEG-GOEBONIOSA-N 0 0 459.566 4.791 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCCc3c(F)cc(F)cc32)ccc1Cl ZINC001436407084 1065311660 /nfs/dbraw/zinc/31/16/60/1065311660.db2.gz YUCOIYIUNAQMPY-GOSISDBHSA-N 0 0 457.926 4.929 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)O[C@H]1CCCc2c(F)cc(F)cc21 ZINC001436408125 1065311902 /nfs/dbraw/zinc/31/19/02/1065311902.db2.gz HTYSPHHKTPZBTM-SFHVURJKSA-N 0 0 453.283 4.860 20 0 JJADRN O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3ccc(F)c(Br)c3)cc21 ZINC001436411553 1065312658 /nfs/dbraw/zinc/31/26/58/1065312658.db2.gz DQUCHZQXESJLNU-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001436418939 1065313043 /nfs/dbraw/zinc/31/30/43/1065313043.db2.gz WELKYFRTHZKFCU-WMQCIHAUSA-N 0 0 453.587 4.687 20 0 JJADRN Cc1nc(NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)ccc1-c1cnn(C)c1 ZINC001436417331 1065313091 /nfs/dbraw/zinc/31/30/91/1065313091.db2.gz RXMCKVICSQULSE-UHFFFAOYSA-N 0 0 457.225 4.963 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3c4ccccc4NC(=O)C3(C)C)cc2)c(C)c1Br ZINC001436418238 1065313109 /nfs/dbraw/zinc/31/31/09/1065313109.db2.gz ZJGXCGNOGBTIKP-UHFFFAOYSA-N 0 0 453.340 4.629 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccs1 ZINC001360433783 1065313084 /nfs/dbraw/zinc/31/30/84/1065313084.db2.gz XKSIZNSNAPCLAV-HNNXBMFYSA-N 0 0 461.582 4.834 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C ZINC001360433760 1065313127 /nfs/dbraw/zinc/31/31/27/1065313127.db2.gz VRXMCRFZDAHZIP-MRXNPFEDSA-N 0 0 457.573 4.881 20 0 JJADRN CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)n1 ZINC001436417327 1065313192 /nfs/dbraw/zinc/31/31/92/1065313192.db2.gz RWSNVMAXJMZZKY-UHFFFAOYSA-N 0 0 457.574 4.962 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001436418932 1065313278 /nfs/dbraw/zinc/31/32/78/1065313278.db2.gz WELKYFRTHZKFCU-QMMLZNLJSA-N 0 0 453.587 4.687 20 0 JJADRN COc1ccccc1-c1cc(C(=O)Nc2cc(Cl)ccc2I)no1 ZINC001436419135 1065313919 /nfs/dbraw/zinc/31/39/19/1065313919.db2.gz YZEIANKDIBMSGI-UHFFFAOYSA-N 0 0 454.651 4.861 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCO1 ZINC001360434053 1065314038 /nfs/dbraw/zinc/31/40/38/1065314038.db2.gz YFIJQUKWCNIZFX-OYHNWAKOSA-N 0 0 476.394 4.952 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)n1C ZINC001360434197 1065314461 /nfs/dbraw/zinc/31/44/61/1065314461.db2.gz BFECMXLOQOMWCO-MRXNPFEDSA-N 0 0 457.347 4.762 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1)[C@H]1C[C@H]1C ZINC001436424632 1065314466 /nfs/dbraw/zinc/31/44/66/1065314466.db2.gz CFWYPOQWHFHBPG-DKLXNKCPSA-N 0 0 451.567 4.728 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)CCNC(=O)c3ccco3)cc21 ZINC001360434645 1065314467 /nfs/dbraw/zinc/31/44/67/1065314467.db2.gz NKQOSVTVRUNAEL-UHFFFAOYSA-N 0 0 452.507 4.560 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc(Cn3ccnc3)c2)n1C ZINC001360434723 1065314633 /nfs/dbraw/zinc/31/46/33/1065314633.db2.gz PLMKYHVQFLAASM-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN Cc1ccc(F)c(Br)c1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001436423906 1065314696 /nfs/dbraw/zinc/31/46/96/1065314696.db2.gz GVNSCYYFAOGOEM-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC001436427264 1065315797 /nfs/dbraw/zinc/31/57/97/1065315797.db2.gz QMCAHBQTQUKTKO-SANMLTNESA-N 0 0 457.014 4.731 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c2ccccc2)c(C)c1 ZINC001436426919 1065316074 /nfs/dbraw/zinc/31/60/74/1065316074.db2.gz NQSUFLGLDLEGGS-HYBUGGRVSA-N 0 0 451.613 4.824 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001360436341 1065316460 /nfs/dbraw/zinc/31/64/60/1065316460.db2.gz OJYUTFMTVGMEDP-UZUQRXQVSA-N 0 0 454.904 4.986 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)C2(CCCOCc3ccccc3)CC2)C1=O ZINC001436428808 1065316581 /nfs/dbraw/zinc/31/65/81/1065316581.db2.gz QBQPHMSXUYQWAA-HYBUGGRVSA-N 0 0 452.570 4.771 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)C2(CCCOCc3ccccc3)CC2)C1=O ZINC001436428811 1065316672 /nfs/dbraw/zinc/31/66/72/1065316672.db2.gz QBQPHMSXUYQWAA-RDPSFJRHSA-N 0 0 452.570 4.771 20 0 JJADRN O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001360436338 1065316638 /nfs/dbraw/zinc/31/66/38/1065316638.db2.gz OJYUTFMTVGMEDP-GAJHUEQPSA-N 0 0 454.904 4.986 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001360436444 1065316648 /nfs/dbraw/zinc/31/66/48/1065316648.db2.gz UTLMORPGMBUZPO-JWQCQUIFSA-N 0 0 457.014 4.778 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(C3CCC3)n2CC(F)(F)Br)CC1 ZINC001360437030 1065317106 /nfs/dbraw/zinc/31/71/06/1065317106.db2.gz BBLFGGMBKRMQQR-CYBMUJFWSA-N 0 0 490.343 4.695 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccs1 ZINC001360437181 1065317881 /nfs/dbraw/zinc/31/78/81/1065317881.db2.gz FAOHJGBUQUJBBY-QGZVFWFLSA-N 0 0 455.603 4.776 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 ZINC001360437261 1065317932 /nfs/dbraw/zinc/31/79/32/1065317932.db2.gz GMMZURBXDSSNBJ-ICSRJNTNSA-N 0 0 461.601 4.696 20 0 JJADRN CC1(C)CCC[C@H]1CNC(=O)Cc1ccc(I)c(Br)c1 ZINC001436432213 1065317895 /nfs/dbraw/zinc/31/78/95/1065317895.db2.gz BGESRJUILUUFOL-LBPRGKRZSA-N 0 0 450.158 4.539 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[C@H](C)c1ccccc1 ZINC001545897506 1065318090 /nfs/dbraw/zinc/31/80/90/1065318090.db2.gz AQMOXIBJGGTURI-URXFXBBRSA-N 0 0 477.657 4.737 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 ZINC001360437427 1065318550 /nfs/dbraw/zinc/31/85/50/1065318550.db2.gz JBPWWFQTGQYJBJ-UWJYYQICSA-N 0 0 483.592 4.652 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1 ZINC001360437872 1065319212 /nfs/dbraw/zinc/31/92/12/1065319212.db2.gz RQCUYEBTLDPBKK-SJLPKXTDSA-N 0 0 476.643 4.556 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CCCO2)CC1 ZINC001360437820 1065319237 /nfs/dbraw/zinc/31/92/37/1065319237.db2.gz QPBNSGWWUWXPPD-CJAUYULYSA-N 0 0 461.601 4.597 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545898206 1065319505 /nfs/dbraw/zinc/31/95/05/1065319505.db2.gz PMDOHDNZWSYKGG-SFTDATJTSA-N 0 0 499.675 4.956 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC001360438385 1065320492 /nfs/dbraw/zinc/32/04/92/1065320492.db2.gz DXWURGWEYPQZHK-QHCPKHFHSA-N 0 0 458.624 4.921 20 0 JJADRN CC[C@@H](COCC(F)(F)F)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001436445031 1065320939 /nfs/dbraw/zinc/32/09/39/1065320939.db2.gz NFBJWFNMVOLZTM-VIFPVBQESA-N 0 0 457.337 4.650 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001436444950 1065320960 /nfs/dbraw/zinc/32/09/60/1065320960.db2.gz HFIHRCSNISCUGF-NSHDSACASA-N 0 0 459.686 4.722 20 0 JJADRN O=C(NC/C=C\c1ccc(Br)cc1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001436446509 1065320977 /nfs/dbraw/zinc/32/09/77/1065320977.db2.gz IUQXIBLUYWUAIA-ZSCXUVNLSA-N 0 0 466.173 4.514 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)NC/C=C\c1ccc(Br)cc1 ZINC001436445805 1065321015 /nfs/dbraw/zinc/32/10/15/1065321015.db2.gz QTFGHFIVEPPWHO-RQOWECAXSA-N 0 0 455.308 4.503 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@@]1(O)CCCC1(C)C ZINC001360438964 1065321142 /nfs/dbraw/zinc/32/11/42/1065321142.db2.gz FGGNXESUTLNBFN-OVUFZDSYSA-N 0 0 458.672 4.812 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1CCCCO1 ZINC001360438825 1065321215 /nfs/dbraw/zinc/32/12/15/1065321215.db2.gz ZOOWJTFTUQIGMU-FXAWDEMLSA-N 0 0 471.602 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545898342 1065321462 /nfs/dbraw/zinc/32/14/62/1065321462.db2.gz RSTWEXIBSBLTSX-YDPTZXBUSA-N 0 0 459.679 4.837 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CC2)n1Cc1ccc(Cl)s1 ZINC001360439629 1065322121 /nfs/dbraw/zinc/32/21/21/1065322121.db2.gz KXJGASJBOZKJOY-CQSZACIVSA-N 0 0 465.044 4.595 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360439845 1065322329 /nfs/dbraw/zinc/32/23/29/1065322329.db2.gz MQPMKUTUASPWCT-YQOWMOTDSA-N 0 0 458.672 4.932 20 0 JJADRN COCc1c(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cnn1-c1ccccc1 ZINC001436449951 1065322470 /nfs/dbraw/zinc/32/24/70/1065322470.db2.gz QGNNUYVZYOBSJZ-KSFYIVLOSA-N 0 0 459.468 4.640 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc(Br)cc1 ZINC001436451212 1065322487 /nfs/dbraw/zinc/32/24/87/1065322487.db2.gz UHYTVZAADRKQRR-SCLBCKFNSA-N 0 0 458.274 4.835 20 0 JJADRN CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001436457947 1065322887 /nfs/dbraw/zinc/32/28/87/1065322887.db2.gz FMMKHWSWPFTUMW-KRWDZBQOSA-N 0 0 459.384 4.935 20 0 JJADRN Cc1nc(C(C)C)ccc1COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC001436458799 1065323048 /nfs/dbraw/zinc/32/30/48/1065323048.db2.gz GGCGZYNKDMGPOZ-LJQANCHMSA-N 0 0 452.576 4.910 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 ZINC001360440071 1065322954 /nfs/dbraw/zinc/32/29/54/1065322954.db2.gz OBGUFWKCXDHNDR-JSRFKQPZSA-N 0 0 482.679 4.653 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001360440379 1065323430 /nfs/dbraw/zinc/32/34/30/1065323430.db2.gz RBQQWUJGDXTEGM-YPSMLTEGSA-N 0 0 483.585 4.570 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1Cc1ccncc1Cl ZINC001360440781 1065324273 /nfs/dbraw/zinc/32/42/73/1065324273.db2.gz XEHTZIMBRRFJHB-AZYRPFHASA-N 0 0 458.031 4.967 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)nn1 ZINC001436462998 1065324353 /nfs/dbraw/zinc/32/43/53/1065324353.db2.gz IMIMBTNLYNTNEX-UHFFFAOYSA-N 0 0 459.775 4.707 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001436463014 1065324485 /nfs/dbraw/zinc/32/44/85/1065324485.db2.gz ITLOAVLNCFMFOJ-AWEZNQCLSA-N 0 0 451.723 4.515 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF ZINC001360440873 1065325020 /nfs/dbraw/zinc/32/50/20/1065325020.db2.gz YPZCIRHKOTYZPR-TXZYXUMCSA-N 0 0 480.407 4.501 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1CCC1=CCCCC1 ZINC001360441257 1065325480 /nfs/dbraw/zinc/32/54/80/1065325480.db2.gz BAOGQGWMFUXBAS-YGHBDQSPSA-N 0 0 456.656 4.997 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001436468172 1065326419 /nfs/dbraw/zinc/32/64/19/1065326419.db2.gz QWDXTIWYLXQVRS-OAHLLOKOSA-N 0 0 454.773 4.881 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)n1 ZINC001436467937 1065326445 /nfs/dbraw/zinc/32/64/45/1065326445.db2.gz WSTXJJYVPBMLRL-UHFFFAOYSA-N 0 0 454.796 4.954 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CCCCC1 ZINC001360441850 1065326487 /nfs/dbraw/zinc/32/64/87/1065326487.db2.gz GZWFQEASTIXQRV-WHOQAUPSSA-N 0 0 495.693 4.530 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360441610 1065326500 /nfs/dbraw/zinc/32/65/00/1065326500.db2.gz DVAITFYEQDUOAF-LPZZXHBQSA-N 0 0 473.593 4.634 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436469807 1065327046 /nfs/dbraw/zinc/32/70/46/1065327046.db2.gz SVIMYLYEBJADCU-GOTSBHOMSA-N 0 0 451.519 4.585 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436469822 1065327062 /nfs/dbraw/zinc/32/70/62/1065327062.db2.gz SVIMYLYEBJADCU-XZOQPEGZSA-N 0 0 451.519 4.585 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC001436470011 1065327236 /nfs/dbraw/zinc/32/72/36/1065327236.db2.gz FFKMZWUWJZIEFP-KOSHJBKYSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC1(F)F ZINC001360442330 1065327526 /nfs/dbraw/zinc/32/75/26/1065327526.db2.gz METVARKHRUMEOO-UEEIFYBMSA-N 0 0 466.598 4.542 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1 ZINC001360442349 1065327551 /nfs/dbraw/zinc/32/75/51/1065327551.db2.gz MMPDTIKWEJSYBN-QYMZFMKZSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c1)C(C)(C)C2 ZINC001436475420 1065328376 /nfs/dbraw/zinc/32/83/76/1065328376.db2.gz SDIVNGJAJNKMCX-BGYRXZFFSA-N 0 0 454.636 4.639 20 0 JJADRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC001436476617 1065328392 /nfs/dbraw/zinc/32/83/92/1065328392.db2.gz VBWVSISTNDTZOK-JLTOFOAXSA-N 0 0 455.917 4.925 20 0 JJADRN Cc1cccc(CN(C)C(=O)c2cccc(Br)c2I)c1C ZINC001436476966 1065329007 /nfs/dbraw/zinc/32/90/07/1065329007.db2.gz LLUJPACOKPXDHU-UHFFFAOYSA-N 0 0 458.137 4.943 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001436477427 1065329111 /nfs/dbraw/zinc/32/91/11/1065329111.db2.gz ILZVKXIPZRFXDJ-UHFFFAOYSA-N 0 0 457.470 4.953 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001360443115 1065329380 /nfs/dbraw/zinc/32/93/80/1065329380.db2.gz WNBFEYPJGGACSS-YIIPXUJASA-N 0 0 488.698 4.530 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)/C=C\c2ccccc2OC(F)(F)F)C1=O ZINC001436477924 1065329670 /nfs/dbraw/zinc/32/96/70/1065329670.db2.gz XLNSTRRUNOOCJR-YZURYREVSA-N 0 0 450.432 4.606 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCOCC1CCOCC1 ZINC001360443559 1065329848 /nfs/dbraw/zinc/32/98/48/1065329848.db2.gz BQUCMBALGUMMTA-SFHVURJKSA-N 0 0 486.016 4.730 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(C)COC1 ZINC001360443668 1065330009 /nfs/dbraw/zinc/33/00/09/1065330009.db2.gz DQQRYYGXJZSPIG-CYBMUJFWSA-N 0 0 463.401 4.709 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1c(C)cc(C)cc1C ZINC001545898703 1065330414 /nfs/dbraw/zinc/33/04/14/1065330414.db2.gz YXEKNZPWMCEUHO-DHIUTWEWSA-N 0 0 481.685 4.813 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1c(C)cc(C)cc1C ZINC001545898706 1065330641 /nfs/dbraw/zinc/33/06/41/1065330641.db2.gz YXEKNZPWMCEUHO-XZOQPEGZSA-N 0 0 481.685 4.813 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360444114 1065330623 /nfs/dbraw/zinc/33/06/23/1065330623.db2.gz NBKHFTAEYNBIBK-NQIIRXRSSA-N 0 0 478.597 4.643 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(Br)c(C)cc1C ZINC001436486802 1065331869 /nfs/dbraw/zinc/33/18/69/1065331869.db2.gz MTUHWXIFHVWNLH-UHFFFAOYSA-N 0 0 456.340 4.745 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001360444719 1065331867 /nfs/dbraw/zinc/33/18/67/1065331867.db2.gz GZXRPTOEQZLVTA-GOSISDBHSA-N 0 0 451.466 4.996 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360444607 1065331982 /nfs/dbraw/zinc/33/19/82/1065331982.db2.gz VYIBONXXCRUBRP-CZTZKLFOSA-N 0 0 483.657 4.647 20 0 JJADRN CN(CCCC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001436486974 1065331952 /nfs/dbraw/zinc/33/19/52/1065331952.db2.gz ZIFGTQWBDZWISH-UHFFFAOYSA-N 0 0 456.580 4.895 20 0 JJADRN CC(=O)c1ccsc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001436488581 1065332639 /nfs/dbraw/zinc/33/26/39/1065332639.db2.gz ABKXDHDDQZUCEU-OAHLLOKOSA-N 0 0 453.358 4.918 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCSC1 ZINC001360444854 1065332547 /nfs/dbraw/zinc/33/25/47/1065332547.db2.gz YSOHRDHWTWYEIC-GJZGRUSLSA-N 0 0 476.444 4.702 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)c2ccccc2)cc1 ZINC001436488624 1065333155 /nfs/dbraw/zinc/33/31/55/1065333155.db2.gz IBQWXIMJMQCVOB-DEOSSOPVSA-N 0 0 453.542 4.655 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)COc1cc(Cl)ccc1Cl ZINC001436490323 1065333628 /nfs/dbraw/zinc/33/36/28/1065333628.db2.gz HUSLMOXATZVPBZ-UHFFFAOYSA-N 0 0 457.357 4.736 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C ZINC001360445569 1065333677 /nfs/dbraw/zinc/33/36/77/1065333677.db2.gz FKXBLQBFEBXWGC-RXVVDRJESA-N 0 0 473.618 4.728 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@H]1CCSC1(C)C ZINC001360445518 1065333689 /nfs/dbraw/zinc/33/36/89/1065333689.db2.gz DMQBNPNVXVZYEC-UYAOXDASSA-N 0 0 457.688 4.763 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360445713 1065334417 /nfs/dbraw/zinc/33/44/17/1065334417.db2.gz HTNRUFIBEMTFNK-ROUUACIJSA-N 0 0 461.557 4.519 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001436492454 1065334471 /nfs/dbraw/zinc/33/44/71/1065334471.db2.gz MBAYGAVXYSEFAG-ZFYQMVEDSA-N 0 0 472.416 4.762 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001436491862 1065334567 /nfs/dbraw/zinc/33/45/67/1065334567.db2.gz REXOQXXRFYDKDS-OKILXGFUSA-N 0 0 455.546 4.742 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C(C)(C)C)no1 ZINC001360445843 1065334483 /nfs/dbraw/zinc/33/44/83/1065334483.db2.gz KEAKECUFVSPHJQ-INIZCTEOSA-N 0 0 494.621 4.506 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N(C)Cc1cccc(C)c1C)C2 ZINC001436494304 1065335102 /nfs/dbraw/zinc/33/51/02/1065335102.db2.gz ZYGLUOJZNAATTK-NRFANRHFSA-N 0 0 454.567 4.645 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360446154 1065335485 /nfs/dbraw/zinc/33/54/85/1065335485.db2.gz PSTJNCNDJHOQCE-WMZOPIPTSA-N 0 0 491.514 4.568 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)OCc3cc(Br)cnc3Cl)CCC2=O)cc1C ZINC001436499629 1065335502 /nfs/dbraw/zinc/33/55/02/1065335502.db2.gz KSQHRHYDULWMKC-AWEZNQCLSA-N 0 0 451.748 4.601 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)cc2)c1C ZINC001436504253 1065336091 /nfs/dbraw/zinc/33/60/91/1065336091.db2.gz WQDDRPOQBDGXKJ-ZEQKJWHPSA-N 0 0 459.590 4.908 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCCC1=O ZINC001360446735 1065336744 /nfs/dbraw/zinc/33/67/44/1065336744.db2.gz YGYWJJAJHIUQSS-BPUDTRNYSA-N 0 0 483.657 4.502 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC001360447315 1065336805 /nfs/dbraw/zinc/33/68/05/1065336805.db2.gz RFRODNORMDDPKN-UHFFFAOYSA-N 0 0 458.558 4.660 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccsc2)n1CC(F)(F)Br ZINC001360446779 1065336818 /nfs/dbraw/zinc/33/68/18/1065336818.db2.gz ZGBKWXDAKJIVFT-GFCCVEGCSA-N 0 0 457.344 4.821 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c(C)c1 ZINC001436506298 1065336861 /nfs/dbraw/zinc/33/68/61/1065336861.db2.gz MVWGMYUTFRBMOO-WOJBJXKFSA-N 0 0 456.652 4.678 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCOC1 ZINC001360447810 1065337361 /nfs/dbraw/zinc/33/73/61/1065337361.db2.gz DSLOZWKBLCAHAA-SJORKVTESA-N 0 0 458.404 4.670 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360447693 1065337444 /nfs/dbraw/zinc/33/74/44/1065337444.db2.gz CTTWCPQZLQRZIJ-URVUXULASA-N 0 0 489.611 4.653 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360447689 1065337509 /nfs/dbraw/zinc/33/75/09/1065337509.db2.gz CTTWCPQZLQRZIJ-RZUBCFFCSA-N 0 0 489.611 4.653 20 0 JJADRN O=C(NCCCC1CCOCC1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001436507180 1065337441 /nfs/dbraw/zinc/33/74/41/1065337441.db2.gz MUNQSXJMFNRXOA-UHFFFAOYSA-N 0 0 458.484 4.890 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCOC2=O)cc1 ZINC001436507663 1065337588 /nfs/dbraw/zinc/33/75/88/1065337588.db2.gz BXAJLMMVJXGHDF-KSSFIOAISA-N 0 0 459.340 4.539 20 0 JJADRN CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001360448132 1065338100 /nfs/dbraw/zinc/33/81/00/1065338100.db2.gz KXOMEVLOTPOMGG-OAQYLSRUSA-N 0 0 462.642 4.602 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1 ZINC001360448317 1065338772 /nfs/dbraw/zinc/33/87/72/1065338772.db2.gz OBGLCVCRZGDCMR-DENIHFKCSA-N 0 0 483.707 4.872 20 0 JJADRN COc1ccc(CCNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c(Cl)c1OC ZINC001436515093 1065339394 /nfs/dbraw/zinc/33/93/94/1065339394.db2.gz FHXXYWZKLZOLKT-UHFFFAOYSA-N 0 0 454.741 4.822 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2CCOc3cc(F)c(Br)cc32)cc1F ZINC001436515697 1065339499 /nfs/dbraw/zinc/33/94/99/1065339499.db2.gz IZGUCNYKKMIIAQ-UHFFFAOYSA-N 0 0 453.283 4.751 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c1Cl ZINC001436515315 1065339558 /nfs/dbraw/zinc/33/95/58/1065339558.db2.gz VGCFFRCDVBWFMB-ZDUSSCGKSA-N 0 0 456.391 4.782 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@@]1(C)CCCS1 ZINC001360448618 1065339597 /nfs/dbraw/zinc/33/95/97/1065339597.db2.gz VBKWEBHQTNMLMK-RXFWQSSRSA-N 0 0 469.699 4.952 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F ZINC001360448832 1065340049 /nfs/dbraw/zinc/34/00/49/1065340049.db2.gz XXSLSXAVMFWVJJ-MRXNPFEDSA-N 0 0 462.520 4.518 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)CC(F)(F)F ZINC001360449889 1065340567 /nfs/dbraw/zinc/34/05/67/1065340567.db2.gz BPJZFBVESPCRIC-MISYRCLQSA-N 0 0 467.580 4.888 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)CC(F)(F)F ZINC001360449871 1065340726 /nfs/dbraw/zinc/34/07/26/1065340726.db2.gz BNQGNTOEGKCXSS-LJQANCHMSA-N 0 0 485.558 4.598 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)cc1 ZINC001436519848 1065340637 /nfs/dbraw/zinc/34/06/37/1065340637.db2.gz DIVLPVZKZAWFAB-UHFFFAOYSA-N 0 0 452.399 4.989 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001436520701 1065340732 /nfs/dbraw/zinc/34/07/32/1065340732.db2.gz QFRFINAIRFAYQY-SFHVURJKSA-N 0 0 454.379 4.596 20 0 JJADRN CC(C)Oc1cc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)ccn1 ZINC001436521264 1065340852 /nfs/dbraw/zinc/34/08/52/1065340852.db2.gz ZBMFVQMFPYDSJN-UHFFFAOYSA-N 0 0 457.264 4.748 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N[C@@H]3c4cccc(Br)c4CC3(C)C)CC2=O)cc1 ZINC001436519907 1065340867 /nfs/dbraw/zinc/34/08/67/1065340867.db2.gz GPSZPWLHDSNMQB-KSFYIVLOSA-N 0 0 455.396 4.804 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(CC(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360450222 1065341324 /nfs/dbraw/zinc/34/13/24/1065341324.db2.gz IYROWMAHPVQQHJ-INIZCTEOSA-N 0 0 461.536 4.985 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360450082 1065341349 /nfs/dbraw/zinc/34/13/49/1065341349.db2.gz GVFQNTYVSGYAAV-RXVVDRJESA-N 0 0 465.564 4.644 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 ZINC001436522208 1065341562 /nfs/dbraw/zinc/34/15/62/1065341562.db2.gz KNUCSPDJJXWPAX-UHFFFAOYSA-N 0 0 450.808 4.910 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360450493 1065341943 /nfs/dbraw/zinc/34/19/43/1065341943.db2.gz NIXSTGPGUIBUQN-QGZVFWFLSA-N 0 0 452.484 4.923 20 0 JJADRN COc1ccc(NC(=O)c2ccc(I)cc2OC)c(C(F)(F)F)c1 ZINC001436524349 1065342870 /nfs/dbraw/zinc/34/28/70/1065342870.db2.gz PCUHDUNJMCEFRB-UHFFFAOYSA-N 0 0 451.182 4.580 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)c3ccccc3F)ccc2Cl)C1 ZINC001436525648 1065343648 /nfs/dbraw/zinc/34/36/48/1065343648.db2.gz WFESCZCOAVOQAI-HNNXBMFYSA-N 0 0 452.979 4.565 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360451244 1065343653 /nfs/dbraw/zinc/34/36/53/1065343653.db2.gz XWZJLMKJAKRYDX-HNNXBMFYSA-N 0 0 489.933 4.915 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 ZINC001360451406 1065343717 /nfs/dbraw/zinc/34/37/17/1065343717.db2.gz ZYMCTJQPKAQWFC-ICSRJNTNSA-N 0 0 455.603 4.584 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCOCC1 ZINC001360451989 1065344749 /nfs/dbraw/zinc/34/47/49/1065344749.db2.gz DOIGKTHRPRLSLO-AWEZNQCLSA-N 0 0 495.418 4.647 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(F)(F)F ZINC001360451991 1065344777 /nfs/dbraw/zinc/34/47/77/1065344777.db2.gz DPVUTTLMRBNFDC-AWEZNQCLSA-N 0 0 464.467 4.850 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F ZINC001360452383 1065345432 /nfs/dbraw/zinc/34/54/32/1065345432.db2.gz KWRKCCQNNMXNQM-DOTOQJQBSA-N 0 0 479.478 4.503 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001436528729 1065346090 /nfs/dbraw/zinc/34/60/90/1065346090.db2.gz VTPZJGMRNWPYAT-PAXLWEDBSA-N 0 0 453.316 4.985 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)c1ccco1 ZINC001360452488 1065345998 /nfs/dbraw/zinc/34/59/98/1065345998.db2.gz MWKJJLRPRPMEDP-JLCFBVMHSA-N 0 0 488.361 4.873 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4c(F)cccc4F)c(=O)c23)cc1 ZINC001436529539 1065346447 /nfs/dbraw/zinc/34/64/47/1065346447.db2.gz SVDAZEQUBSMHFB-UHFFFAOYSA-N 0 0 453.514 4.760 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c2ccccc2)cc1 ZINC001436530785 1065347125 /nfs/dbraw/zinc/34/71/25/1065347125.db2.gz GIBMKORUCCQNLF-OFVILXPXSA-N 0 0 459.565 4.638 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ncccc1Cl ZINC001360452795 1065347204 /nfs/dbraw/zinc/34/72/04/1065347204.db2.gz SHNOYSBISDQZTJ-DLBZAZTESA-N 0 0 459.953 4.636 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c1 ZINC001360453006 1065347913 /nfs/dbraw/zinc/34/79/13/1065347913.db2.gz CITHDNHPDDWJER-UHFFFAOYSA-N 0 0 458.558 4.536 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc[nH]2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360453332 1065347959 /nfs/dbraw/zinc/34/79/59/1065347959.db2.gz ZGRWHPRWVZPHPY-QGZVFWFLSA-N 0 0 456.566 4.867 20 0 JJADRN Cc1ccc(Cl)cc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001436533861 1065347923 /nfs/dbraw/zinc/34/79/23/1065347923.db2.gz MVOFPJQIIKFENI-UHFFFAOYSA-N 0 0 459.370 4.505 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CCO1 ZINC001360453855 1065348556 /nfs/dbraw/zinc/34/85/56/1065348556.db2.gz WOQQDECPMOHIQH-CVDCTZTESA-N 0 0 453.583 4.896 20 0 JJADRN O=C(Nc1nccc2cc(Br)ccc21)c1cc2c(cc1Br)OCO2 ZINC001436534942 1065348561 /nfs/dbraw/zinc/34/85/61/1065348561.db2.gz NQENQGQTMPQCQW-UHFFFAOYSA-N 0 0 450.086 4.741 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3nccc4cc(Br)ccc43)n2)cc1 ZINC001436535617 1065348749 /nfs/dbraw/zinc/34/87/49/1065348749.db2.gz XTUKKGGRQZCKFB-UHFFFAOYSA-N 0 0 453.296 4.627 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cn1 ZINC001360453361 1065348697 /nfs/dbraw/zinc/34/86/97/1065348697.db2.gz ZNJHVPHXQJPJJA-CQSZACIVSA-N 0 0 487.352 4.965 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c(Cl)c1 ZINC001436536074 1065349345 /nfs/dbraw/zinc/34/93/45/1065349345.db2.gz LQKIPDFETVQQIZ-UHFFFAOYSA-N 0 0 451.836 4.890 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1=CCCOC1 ZINC001360454165 1065350635 /nfs/dbraw/zinc/35/06/35/1065350635.db2.gz DYAXSOQBXKKDPT-CQSZACIVSA-N 0 0 461.335 4.984 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)nc1 ZINC001360454370 1065351322 /nfs/dbraw/zinc/35/13/22/1065351322.db2.gz IMDZTFTVEQHRNE-INIZCTEOSA-N 0 0 468.508 4.846 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCCC1 ZINC001360454281 1065351426 /nfs/dbraw/zinc/35/14/26/1065351426.db2.gz GTHKXEDLAITTKK-OAHLLOKOSA-N 0 0 472.387 4.544 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C(=O)OC)c1Cl ZINC001436540036 1065351344 /nfs/dbraw/zinc/35/13/44/1065351344.db2.gz IWLARAYKGPKVLC-AWEZNQCLSA-N 0 0 454.748 4.723 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCCCS(C)(=O)=O ZINC001360454523 1065352035 /nfs/dbraw/zinc/35/20/35/1065352035.db2.gz LTQOEOKQTDTHSX-MRXNPFEDSA-N 0 0 450.992 4.604 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC001436541472 1065352479 /nfs/dbraw/zinc/35/24/79/1065352479.db2.gz DOOMOHDWSHYDLQ-DEOSSOPVSA-N 0 0 458.599 4.544 20 0 JJADRN CCCc1c(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1Cc1ccccc1 ZINC001436543107 1065353331 /nfs/dbraw/zinc/35/33/31/1065353331.db2.gz YOCAVTSUEGZGLK-UHFFFAOYSA-N 0 0 459.377 4.949 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2scc(Br)c2Br)c1Cl ZINC001436543282 1065353343 /nfs/dbraw/zinc/35/33/43/1065353343.db2.gz UXMXRYXGCUFJCW-UHFFFAOYSA-N 0 0 453.539 4.965 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360454752 1065353457 /nfs/dbraw/zinc/35/34/57/1065353457.db2.gz QNYMRVQAQBQPFX-IKGGRYGDSA-N 0 0 453.509 4.673 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC1CCCCC1 ZINC001360454963 1065354176 /nfs/dbraw/zinc/35/41/76/1065354176.db2.gz WCUHRYYRXXIYDU-MRXNPFEDSA-N 0 0 486.414 4.947 20 0 JJADRN COC(=O)c1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)cc1F 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ZINC001436606957 1065396610 /nfs/dbraw/zinc/39/66/10/1065396610.db2.gz JWEOOOYDIUGBQN-CJAUYULYSA-N 0 0 456.608 4.535 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC001360479706 1065397461 /nfs/dbraw/zinc/39/74/61/1065397461.db2.gz BISXCQOSFQSQNJ-HHHXNRCGSA-N 0 0 452.370 4.535 20 0 JJADRN CC1(C)C[C@H](CNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CCO1 ZINC001436612054 1065397512 /nfs/dbraw/zinc/39/75/12/1065397512.db2.gz YBSLVGXYOIXTJB-OAHLLOKOSA-N 0 0 457.621 4.619 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CC(C)(C)c1cccs1 ZINC001545899851 1065397608 /nfs/dbraw/zinc/39/76/08/1065397608.db2.gz AHWUYMFBGBBRPY-NRFANRHFSA-N 0 0 497.713 4.891 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC001436612369 1065397629 /nfs/dbraw/zinc/39/76/29/1065397629.db2.gz LOYNYIJVMKYTHN-NQIIRXRSSA-N 0 0 459.428 4.518 20 0 JJADRN CC1(C)C[C@@H](CNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CCO1 ZINC001436612048 1065397721 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0 450.686 4.914 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)CCS(=O)(=O)c1cccc(Br)c1)CCC2 ZINC001436617375 1065399785 /nfs/dbraw/zinc/39/97/85/1065399785.db2.gz NCKDDPYBKXHZQL-UHFFFAOYSA-N 0 0 456.789 4.554 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)[C@@H]1Cc3cc(Br)ccc3O1)CCC2 ZINC001436617384 1065399909 /nfs/dbraw/zinc/39/99/09/1065399909.db2.gz NKORVWUMOFRLNU-KRWDZBQOSA-N 0 0 451.158 4.803 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCc1ccccc1 ZINC001545899925 1065400907 /nfs/dbraw/zinc/40/09/07/1065400907.db2.gz BXGXDGNWBNGCNW-JOCHJYFZSA-N 0 0 455.647 4.613 20 0 JJADRN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC001360482178 1065401400 /nfs/dbraw/zinc/40/14/00/1065401400.db2.gz VRUQMUKMLGEFMN-YUNKPMOVSA-N 0 0 458.427 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(OC3CCCC3)nc2)[C@H](c2ccccc2)C1 ZINC001436622961 1065402217 /nfs/dbraw/zinc/40/22/17/1065402217.db2.gz QTSRBDQJJXRDBJ-QFIPXVFZSA-N 0 0 451.567 4.837 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1C[C@@H](C)c1nc(C)cs1 ZINC001545899976 1065403009 /nfs/dbraw/zinc/40/30/09/1065403009.db2.gz CYXZFQRIMZIXMM-GCJKJVERSA-N 0 0 495.697 4.846 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)CC[C@H]1c1ccc(F)cc1 ZINC001436626302 1065403076 /nfs/dbraw/zinc/40/30/76/1065403076.db2.gz BCCMPMPSGXUIKJ-ZWKOTPCHSA-N 0 0 467.463 4.763 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCc2cc(F)c(F)c(F)c21 ZINC001436625597 1065403116 /nfs/dbraw/zinc/40/31/16/1065403116.db2.gz RVEVVCHZNOELOO-CYBMUJFWSA-N 0 0 457.539 4.748 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2=Cc3cc(F)ccc3OC2)CC[C@H]1c1ccc(F)cc1 ZINC001436626709 1065403830 /nfs/dbraw/zinc/40/38/30/1065403830.db2.gz FZVDIEWYXLUVTQ-FCHUYYIVSA-N 0 0 470.516 4.650 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCSC(F)(F)F ZINC001360483721 1065404624 /nfs/dbraw/zinc/40/46/24/1065404624.db2.gz ZWELUYSNVQBHOK-SNVBAGLBSA-N 0 0 477.965 4.766 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436627049 1065404872 /nfs/dbraw/zinc/40/48/72/1065404872.db2.gz JIVONRZCYPOMMS-WQFQCULDSA-N 0 0 478.511 4.781 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)cnc2c1 ZINC001436627616 1065405548 /nfs/dbraw/zinc/40/55/48/1065405548.db2.gz QEAJSZAXWYUCDQ-LADGPHEKSA-N 0 0 479.552 4.906 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC001360486478 1065405533 /nfs/dbraw/zinc/40/55/33/1065405533.db2.gz UYAVRBXKXZEAHY-RUZDIDTESA-N 0 0 455.562 4.780 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1OC ZINC001360486812 1065406587 /nfs/dbraw/zinc/40/65/87/1065406587.db2.gz XLNFLBDWAMNKBJ-ROUUACIJSA-N 0 0 451.592 4.582 20 0 JJADRN CCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001360488387 1065407370 /nfs/dbraw/zinc/40/73/70/1065407370.db2.gz FBCGHXNDNOTVAV-XZOQPEGZSA-N 0 0 458.624 4.568 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H]3C[C@@H](OC(C)C)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436630216 1065407331 /nfs/dbraw/zinc/40/73/31/1065407331.db2.gz XTADGVBCRWWASA-FKIWKMFDSA-N 0 0 450.579 4.560 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC001436630194 1065407338 /nfs/dbraw/zinc/40/73/38/1065407338.db2.gz XHAQIGZARYKHRM-NQIIRXRSSA-N 0 0 456.562 4.653 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)OC(C)C ZINC001360488923 1065408038 /nfs/dbraw/zinc/40/80/38/1065408038.db2.gz CIJMYRCPOLNMCC-AWEZNQCLSA-N 0 0 459.431 4.659 20 0 JJADRN CCCN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1C[C@H](OCC)C1(C)C ZINC001360489264 1065408084 /nfs/dbraw/zinc/40/80/84/1065408084.db2.gz SISGVGAJDDFSIR-CVEARBPZSA-N 0 0 451.295 4.625 20 0 JJADRN CC(C)c1nc(COC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)co1 ZINC001436631980 1065408108 /nfs/dbraw/zinc/40/81/08/1065408108.db2.gz VUAHCLKIWVZZIN-UHFFFAOYSA-N 0 0 454.958 4.526 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)cc1-n1cnnn1 ZINC001360488873 1065408148 /nfs/dbraw/zinc/40/81/48/1065408148.db2.gz ODWUDUZXQUNRIW-UHFFFAOYSA-N 0 0 457.534 4.934 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N(CCc3ccccc3)c3ccc(OC)cc3)cc2C1=O ZINC001360489452 1065408795 /nfs/dbraw/zinc/40/87/95/1065408795.db2.gz VCSDKGLTLRHSKG-UHFFFAOYSA-N 0 0 456.542 4.981 20 0 JJADRN Cc1cc(Br)c(COC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1Cl ZINC001436634291 1065409721 /nfs/dbraw/zinc/40/97/21/1065409721.db2.gz MJPMPWHJWBQZMM-INIZCTEOSA-N 0 0 459.789 4.673 20 0 JJADRN C[C@@H](OC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ncccc1Br ZINC001436635959 1065409731 /nfs/dbraw/zinc/40/97/31/1065409731.db2.gz PKUCDRZIRXWWBM-SECBINFHSA-N 0 0 459.197 4.501 20 0 JJADRN COc1ccc(/C=C(\C(=O)NCc2cc(F)ccc2N2CCOCC2)c2cccs2)cc1 ZINC001360493909 1065410284 /nfs/dbraw/zinc/41/02/84/1065410284.db2.gz JZUYZAOGTXBXIG-JCMHNJIXSA-N 0 0 452.551 4.589 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(F)cc1F ZINC001360494046 1065410401 /nfs/dbraw/zinc/41/04/01/1065410401.db2.gz OVKZLLDWIXASJR-AUUYWEPGSA-N 0 0 452.448 4.686 20 0 JJADRN CCOc1c(Br)cc(C(=O)O[C@H](C)c2ncccc2Br)cc1OC ZINC001436636270 1065410482 /nfs/dbraw/zinc/41/04/82/1065410482.db2.gz UZAGBIBRWWAXAH-SNVBAGLBSA-N 0 0 459.134 4.932 20 0 JJADRN O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCc2cc(Cl)cc(Br)c21 ZINC001436637208 1065410495 /nfs/dbraw/zinc/41/04/95/1065410495.db2.gz ZLAKFYDVXXPJHT-UHFFFAOYSA-N 0 0 459.653 4.757 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCCc2c(Cl)ccc(Br)c21 ZINC001436636124 1065410526 /nfs/dbraw/zinc/41/05/26/1065410526.db2.gz NZLUPZARYQXWLG-UHFFFAOYSA-N 0 0 459.775 4.822 20 0 JJADRN COc1cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc(OC)c1Br ZINC001360494132 1065411527 /nfs/dbraw/zinc/41/15/27/1065411527.db2.gz RRFXNDKPFQQLIP-UHFFFAOYSA-N 0 0 450.329 4.585 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1=O ZINC001436638403 1065411549 /nfs/dbraw/zinc/41/15/49/1065411549.db2.gz OTVISVMSNRYLMN-HXUWFJFHSA-N 0 0 457.615 4.777 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1F ZINC001360494059 1065411551 /nfs/dbraw/zinc/41/15/51/1065411551.db2.gz PHCKMEOVERLANH-IBGZPJMESA-N 0 0 456.942 4.674 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N[C@@H]3C[C@H]3CC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436640346 1065412343 /nfs/dbraw/zinc/41/23/43/1065412343.db2.gz GDBBBTVCMJSJRS-XVZHEKKHSA-N 0 0 450.579 4.739 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnccn1 ZINC001360496923 1065412961 /nfs/dbraw/zinc/41/29/61/1065412961.db2.gz CLFISVHQXOJSML-QZTJIDSGSA-N 0 0 466.586 4.924 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360497068 1065414145 /nfs/dbraw/zinc/41/41/45/1065414145.db2.gz DVKUXNJGMBJZSD-SOUVJXGZSA-N 0 0 464.433 4.590 20 0 JJADRN COc1cc(NC(=O)c2nn(-c3ccccc3F)cc2Br)cc(OC)c1Cl ZINC001436641697 1065414128 /nfs/dbraw/zinc/41/41/28/1065414128.db2.gz VHLGMLITLJXXGN-UHFFFAOYSA-N 0 0 454.683 4.697 20 0 JJADRN 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451.596 4.515 20 0 JJADRN COC(=O)[C@H](C)c1cccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 ZINC001436705857 1065425144 /nfs/dbraw/zinc/42/51/44/1065425144.db2.gz GJVKFKXXLKPNBI-CYBMUJFWSA-N 0 0 458.440 4.692 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCc2c(Br)c(F)cc(F)c21 ZINC001436705826 1065425202 /nfs/dbraw/zinc/42/52/02/1065425202.db2.gz GBDHMGQUCPJJOT-UHFFFAOYSA-N 0 0 450.258 4.954 20 0 JJADRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001436702199 1065425256 /nfs/dbraw/zinc/42/52/56/1065425256.db2.gz QJBKYCOZMQSJAC-UHFFFAOYSA-N 0 0 452.479 4.552 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360501576 1065425797 /nfs/dbraw/zinc/42/57/97/1065425797.db2.gz SPZINVRBBPPPRH-WSTZPKSXSA-N 0 0 473.687 4.910 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360501575 1065425903 /nfs/dbraw/zinc/42/59/03/1065425903.db2.gz SPZINVRBBPPPRH-QWFCFKBJSA-N 0 0 473.687 4.910 20 0 JJADRN 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CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001360503129 1065430580 /nfs/dbraw/zinc/43/05/80/1065430580.db2.gz DQLGYUUHTISNKW-UHFFFAOYSA-N 0 0 457.452 4.922 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001360503264 1065430762 /nfs/dbraw/zinc/43/07/62/1065430762.db2.gz GLZWFTQTXHJIKN-UHFFFAOYSA-N 0 0 455.392 4.798 20 0 JJADRN O=C(CSc1ccc(Cl)cc1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001436729694 1065431165 /nfs/dbraw/zinc/43/11/65/1065431165.db2.gz APLRPVZTELNJFN-UHFFFAOYSA-N 0 0 459.768 4.809 20 0 JJADRN O=C(Nc1ccc(Oc2cccnc2)nc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001436727693 1065431200 /nfs/dbraw/zinc/43/12/00/1065431200.db2.gz UDIQCYZQKAUVTJ-UHFFFAOYSA-N 0 0 457.939 4.648 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001436727128 1065431324 /nfs/dbraw/zinc/43/13/24/1065431324.db2.gz OQTGPRYPWABSDJ-IBGZPJMESA-N 0 0 455.551 4.838 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCO1 ZINC001360503265 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CCn1cc(Br)c(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC001436922830 1065472037 /nfs/dbraw/zinc/47/20/37/1065472037.db2.gz FMSCCNVIXRNXQM-OAHLLOKOSA-N 0 0 455.194 4.665 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001436925842 1065473111 /nfs/dbraw/zinc/47/31/11/1065473111.db2.gz YLZQRVRUENCFEX-UHFFFAOYSA-N 0 0 451.470 4.773 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001360515325 1065473243 /nfs/dbraw/zinc/47/32/43/1065473243.db2.gz HBLMCCPNDZUDCC-RTWAWAEBSA-N 0 0 490.652 4.891 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N(CC1CC1)C1CCC1 ZINC001360515411 1065473258 /nfs/dbraw/zinc/47/32/58/1065473258.db2.gz HVEJOHFRPJCOET-LJQANCHMSA-N 0 0 468.646 4.536 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001360515303 1065473276 /nfs/dbraw/zinc/47/32/76/1065473276.db2.gz GZBXQTNYDXVVFY-NCYKPQTJSA-N 0 0 461.651 4.792 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N(C)CCc1ccccc1F ZINC001360515434 1065474005 /nfs/dbraw/zinc/47/40/05/1065474005.db2.gz HXZVQPPGBKQJDC-FQEVSTJZSA-N 0 0 496.631 4.585 20 0 JJADRN O=C(Oc1cccc(OCc2ccccc2)c1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001436931763 1065473988 /nfs/dbraw/zinc/47/39/88/1065473988.db2.gz CANYWJGBYHJOOW-UHFFFAOYSA-N 0 0 450.292 4.828 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(F)(F)C1 ZINC001360515821 1065474531 /nfs/dbraw/zinc/47/45/31/1065474531.db2.gz LQVRXOMSSVRUNA-INIZCTEOSA-N 0 0 474.556 4.775 20 0 JJADRN CC(=O)N[C@H](C(=O)Oc1cccc(OCc2ccccc2)c1)c1cccc(Br)c1 ZINC001436934052 1065474617 /nfs/dbraw/zinc/47/46/17/1065474617.db2.gz QQWOXQGSSUQRLS-QFIPXVFZSA-N 0 0 454.320 4.811 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2oc3ccc(OC)cc3c2C)C[C@H]1c1ccc(Br)cc1 ZINC001436935583 1065475542 /nfs/dbraw/zinc/47/55/42/1065475542.db2.gz ILQSNDQXLZLPLE-RBUKOAKNSA-N 0 0 472.335 4.541 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001360516126 1065475799 /nfs/dbraw/zinc/47/57/99/1065475799.db2.gz OEMIOFJHPVAIHQ-FXAWDEMLSA-N 0 0 494.105 4.967 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)C[C@H]1c1ccc(F)cc1F ZINC001436937181 1065476638 /nfs/dbraw/zinc/47/66/38/1065476638.db2.gz VIZVONZFSCLQCM-RBUKOAKNSA-N 0 0 456.514 4.734 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N3CC[C@@H](C)C[C@H]3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436936841 1065476697 /nfs/dbraw/zinc/47/66/97/1065476697.db2.gz AZLFNHGVNNWFFC-IJBLBXRYSA-N 0 0 450.579 4.835 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1Cc2cccc(Br)c2C1 ZINC001360516209 1065476689 /nfs/dbraw/zinc/47/66/89/1065476689.db2.gz ORSMROLDBMGZCG-HNNXBMFYSA-N 0 0 490.446 4.941 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360516515 1065477501 /nfs/dbraw/zinc/47/75/01/1065477501.db2.gz SHSPWBXOKVLBDG-YRXWBPOGSA-N 0 0 485.620 4.750 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360516852 1065478287 /nfs/dbraw/zinc/47/82/87/1065478287.db2.gz VQOHZOHVABWDEJ-BFYDXBDKSA-N 0 0 459.557 4.683 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001360516757 1065478488 /nfs/dbraw/zinc/47/84/88/1065478488.db2.gz VBJQZLUNSJMCEX-RLLQIKCJSA-N 0 0 471.621 4.603 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1cnc(Oc2ccccc2)cn1 ZINC001436948207 1065478438 /nfs/dbraw/zinc/47/84/38/1065478438.db2.gz CFQOTXHOXXBKED-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCc2sccc2C1 ZINC001360517091 1065479187 /nfs/dbraw/zinc/47/91/87/1065479187.db2.gz WXNFRVJLJXVQLD-KRWDZBQOSA-N 0 0 461.676 4.994 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1Nc1cnn(CC2CCC2)c1 ZINC001360517279 1065480917 /nfs/dbraw/zinc/48/09/17/1065480917.db2.gz ZWGBIMWTJQWDFL-IBGZPJMESA-N 0 0 494.644 4.507 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cc1)C1CC1 ZINC001360518368 1065481931 /nfs/dbraw/zinc/48/19/31/1065481931.db2.gz LCMJGYNVPUEUIH-UHFFFAOYSA-N 0 0 456.468 4.963 20 0 JJADRN O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001436965017 1065481909 /nfs/dbraw/zinc/48/19/09/1065481909.db2.gz BLMFAOYFEZYREU-GOSISDBHSA-N 0 0 451.260 4.648 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@@H](C)O1 ZINC001436967045 1065482802 /nfs/dbraw/zinc/48/28/02/1065482802.db2.gz SUYBIQNYZFQZGO-IAGOWNOFSA-N 0 0 456.949 4.585 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC001436967080 1065482832 /nfs/dbraw/zinc/48/28/32/1065482832.db2.gz IQUDVPSQRFLBPY-UHFFFAOYSA-N 0 0 450.223 4.540 20 0 JJADRN Cc1ccc(C2(NC(=O)c3ccc(-n4cnnn4)c(C)c3)CCCCC2)c(Br)c1 ZINC001436965256 1065483053 /nfs/dbraw/zinc/48/30/53/1065483053.db2.gz ZCCVIUQNJLYUAU-UHFFFAOYSA-N 0 0 454.372 4.631 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N(C)C2Cc3ccccc3C2)nnc1C(C)(C)C ZINC001360519196 1065484238 /nfs/dbraw/zinc/48/42/38/1065484238.db2.gz ILQCCZFNWQLPOQ-SFHVURJKSA-N 0 0 455.647 4.682 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nccs1)c1nccs1 ZINC001360519039 1065484340 /nfs/dbraw/zinc/48/43/40/1065484340.db2.gz HGDZLKLQPDEGTD-HOTGVXAUSA-N 0 0 472.615 4.953 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1)C1CC1 ZINC001360518931 1065484431 /nfs/dbraw/zinc/48/44/31/1065484431.db2.gz UUUVXCZRAXMCTP-UHFFFAOYSA-N 0 0 451.748 4.631 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001545903603 1065484642 /nfs/dbraw/zinc/48/46/42/1065484642.db2.gz DQHAUWRJYUGHEO-NRFANRHFSA-N 0 0 474.049 4.870 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1C(C)(C)C ZINC001360519363 1065485252 /nfs/dbraw/zinc/48/52/52/1065485252.db2.gz LLJXMTUTQVOXDC-INIZCTEOSA-N 0 0 465.589 4.993 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ccn(C)n1)c1nccs1 ZINC001360519370 1065485993 /nfs/dbraw/zinc/48/59/93/1065485993.db2.gz LMLYSVWDLXUJLG-IAGOWNOFSA-N 0 0 486.045 4.744 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N(C)C)c1ccccc1 ZINC001360519471 1065486788 /nfs/dbraw/zinc/48/67/88/1065486788.db2.gz NRGGTINQOWRORD-IBGZPJMESA-N 0 0 465.667 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCc1csc(C(C)(C)C)n1 ZINC001545903651 1065486898 /nfs/dbraw/zinc/48/68/98/1065486898.db2.gz FPQBIDIEHXFQGU-FQEVSTJZSA-N 0 0 472.703 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1Cc1ccccc1OC(C)C ZINC001545903642 1065486940 /nfs/dbraw/zinc/48/69/40/1065486940.db2.gz FGXSCLKDFIAELB-QFIPXVFZSA-N 0 0 453.631 4.801 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCc1csc(C(C)(C)C)n1 ZINC001545903652 1065487001 /nfs/dbraw/zinc/48/70/01/1065487001.db2.gz FPQBIDIEHXFQGU-HXUWFJFHSA-N 0 0 472.703 4.962 20 0 JJADRN Cc1onc(-c2ccccc2)c1C(=O)NCc1cc(Cl)cc(I)c1 ZINC001436979946 1065487019 /nfs/dbraw/zinc/48/70/19/1065487019.db2.gz RGAZSVYEFQGLOW-UHFFFAOYSA-N 0 0 452.679 4.838 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001436987203 1065488503 /nfs/dbraw/zinc/48/85/03/1065488503.db2.gz BJJNHJRPXVVTRQ-GOEBONIOSA-N 0 0 458.368 4.859 20 0 JJADRN CCc1cc(C(=O)OC)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)s1 ZINC001436987971 1065488522 /nfs/dbraw/zinc/48/85/22/1065488522.db2.gz GXIBBHSGJOKPAJ-HZPDHXFCSA-N 0 0 458.580 4.518 20 0 JJADRN C[C@@H](CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC=CCC1)c1nccs1 ZINC001360519759 1065488975 /nfs/dbraw/zinc/48/89/75/1065488975.db2.gz SUDPLJINWHJHRZ-HKUYNNGSSA-N 0 0 485.057 4.914 20 0 JJADRN C[C@H](CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CC1)c1nccs1 ZINC001360519977 1065489956 /nfs/dbraw/zinc/48/99/56/1065489956.db2.gz WOVRNDIJQNRNLO-DFMDNHFBSA-N 0 0 494.086 4.679 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1)c1nccs1 ZINC001360519975 1065490013 /nfs/dbraw/zinc/49/00/13/1065490013.db2.gz WNXKOOXOYUSIIH-OYHNWAKOSA-N 0 0 457.987 4.796 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)c(=O)oc2c1 ZINC001436992423 1065490163 /nfs/dbraw/zinc/49/01/63/1065490163.db2.gz MVHNVSYAIDOXSU-IBGZPJMESA-N 0 0 456.583 4.756 20 0 JJADRN O=C(c1cnc(Cc2ccccc2)s1)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001436990777 1065490253 /nfs/dbraw/zinc/49/02/53/1065490253.db2.gz UQIQSMWDUJCVTE-QGZVFWFLSA-N 0 0 458.381 4.717 20 0 JJADRN C[C@H](CN(C)c1nnc(C(C)(C)C)n1CCCc1ccnc(C(C)(C)C)n1)c1nccs1 ZINC001360519986 1065490615 /nfs/dbraw/zinc/49/06/15/1065490615.db2.gz WVSJPBJTEWFBHY-QGZVFWFLSA-N 0 0 455.676 4.992 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F)c1ccccc1 ZINC001360520001 1065490649 /nfs/dbraw/zinc/49/06/49/1065490649.db2.gz XIHKHZFTJFQLPT-HNNXBMFYSA-N 0 0 482.373 4.915 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CC1)c1nccs1 ZINC001360519980 1065490742 /nfs/dbraw/zinc/49/07/42/1065490742.db2.gz WOVRNDIJQNRNLO-ZPHPJUETSA-N 0 0 494.086 4.679 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001360520102 1065491176 /nfs/dbraw/zinc/49/11/76/1065491176.db2.gz YWILFQORLJCQEN-HXOBKFHXSA-N 0 0 474.447 4.693 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)ncc2Br)cnn1-c1cccc(C)c1 ZINC001437000474 1065491985 /nfs/dbraw/zinc/49/19/85/1065491985.db2.gz RAZHNOIIPLUYNX-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cnn(-c2cccc(C)c2)c1C ZINC001437002072 1065492151 /nfs/dbraw/zinc/49/21/51/1065492151.db2.gz YHHSRGTVUJEEOF-SFHVURJKSA-N 0 0 457.621 4.792 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1)c1nccs1 ZINC001360520282 1065492193 /nfs/dbraw/zinc/49/21/93/1065492193.db2.gz CZISBQMSDMURDV-CJNGLKHVSA-N 0 0 453.946 4.719 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360520269 1065492245 /nfs/dbraw/zinc/49/22/45/1065492245.db2.gz CTJVVDQYUTWENR-ROUUACIJSA-N 0 0 485.658 4.617 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001360520421 1065492884 /nfs/dbraw/zinc/49/28/84/1065492884.db2.gz GRIPNSOFLSAVBY-KRWDZBQOSA-N 0 0 465.005 4.628 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccccc2F)n1CCCNC(=O)OC(C)(C)C)c1nccs1 ZINC001360520413 1065493005 /nfs/dbraw/zinc/49/30/05/1065493005.db2.gz GIMOULSDNDXFAR-INIZCTEOSA-N 0 0 474.606 4.695 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCOCC1)c1nccs1 ZINC001360520605 1065493879 /nfs/dbraw/zinc/49/38/79/1065493879.db2.gz JRICMTWHWNQCSQ-INIZCTEOSA-N 0 0 495.480 4.671 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360520684 1065493935 /nfs/dbraw/zinc/49/39/35/1065493935.db2.gz LAIFAEMLWGZKMS-QGZVFWFLSA-N 0 0 468.627 4.508 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC001437010133 1065494626 /nfs/dbraw/zinc/49/46/26/1065494626.db2.gz HMIAHQZWCGCEQK-UHFFFAOYSA-N 0 0 451.498 4.968 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccn2)n1CCOc1ccccc1Cl)c1nccs1 ZINC001360520893 1065494742 /nfs/dbraw/zinc/49/47/42/1065494742.db2.gz OCAZDUIQEBWNSM-MRXNPFEDSA-N 0 0 454.987 4.769 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360521008 1065494752 /nfs/dbraw/zinc/49/47/52/1065494752.db2.gz PNRMGBFSHBXAGZ-HHXXYDBFSA-N 0 0 461.035 4.751 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)n2)cc1 ZINC001437012377 1065495123 /nfs/dbraw/zinc/49/51/23/1065495123.db2.gz YYYOCZFDBADGJH-MJGOQNOKSA-N 0 0 461.584 4.610 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCSC(F)(F)F)c1nccs1 ZINC001360521374 1065495697 /nfs/dbraw/zinc/49/56/97/1065495697.db2.gz URADMPLFEXXKNB-CYBMUJFWSA-N 0 0 485.557 4.666 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1nccs1 ZINC001360521226 1065495843 /nfs/dbraw/zinc/49/58/43/1065495843.db2.gz RXNSVXZWZLBHKS-QZTJIDSGSA-N 0 0 470.643 4.897 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001437016870 1065496195 /nfs/dbraw/zinc/49/61/95/1065496195.db2.gz MGVHYGWBPNKMHS-WZONZLPQSA-N 0 0 460.578 4.968 20 0 JJADRN Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)c(I)cc1Cl ZINC001437018549 1065496238 /nfs/dbraw/zinc/49/62/38/1065496238.db2.gz RHKJBZRHGVYABS-MLGOLLRUSA-N 0 0 477.770 4.978 20 0 JJADRN O=C(OCc1cc(Cl)ccc1I)c1cnn(-c2ccccc2F)c1 ZINC001437021614 1065497058 /nfs/dbraw/zinc/49/70/58/1065497058.db2.gz JWLJSLDJFRAHKP-UHFFFAOYSA-N 0 0 456.642 4.626 20 0 JJADRN Cn1cc(-c2cccc(C(=O)OCc3cc(Cl)ccc3I)c2)cn1 ZINC001437022746 1065497117 /nfs/dbraw/zinc/49/71/17/1065497117.db2.gz QPBKOBQYWCRAGC-UHFFFAOYSA-N 0 0 452.679 4.702 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001360522418 1065497354 /nfs/dbraw/zinc/49/73/54/1065497354.db2.gz DKRBLLOJVTXZDI-JWZKTCGFSA-N 0 0 458.602 4.984 20 0 JJADRN O=C(NCCCCSc1ccccc1Br)c1cn(CCc2ccccc2)nn1 ZINC001360523253 1065498187 /nfs/dbraw/zinc/49/81/87/1065498187.db2.gz VWWSCBAKIILBMF-UHFFFAOYSA-N 0 0 459.413 4.586 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCCCCSc2ccccc2Br)[C@H]1c1cccc(F)c1 ZINC001360522641 1065498235 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Cc1noc([C@H](C)N(C)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 ZINC001437157219 1065516056 /nfs/dbraw/zinc/51/60/56/1065516056.db2.gz UMQQUGLBOVAVSK-AWEZNQCLSA-N 0 0 455.971 4.741 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001437178813 1065516502 /nfs/dbraw/zinc/51/65/02/1065516502.db2.gz GAELBFZDRYAMNK-NRFANRHFSA-N 0 0 457.574 4.811 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)[C@@H]1C)Oc1ccccc1F ZINC001360535218 1065516791 /nfs/dbraw/zinc/51/67/91/1065516791.db2.gz BCIKURPUIWGXRD-QLFBSQMISA-N 0 0 494.434 4.973 20 0 JJADRN CCCCOC(=O)C(C)(C)NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001437175742 1065516819 /nfs/dbraw/zinc/51/68/19/1065516819.db2.gz VOQOLGXVERBBOP-UHFFFAOYSA-N 0 0 457.621 4.997 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1F ZINC001437181400 1065517324 /nfs/dbraw/zinc/51/73/24/1065517324.db2.gz SCBZQDACKBNLCD-UHFFFAOYSA-N 0 0 451.336 4.772 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001545905416 1065517780 /nfs/dbraw/zinc/51/77/80/1065517780.db2.gz ATOILLQBQGGDJM-PIKZIKFNSA-N 0 0 495.668 4.999 20 0 JJADRN C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)Cc1ccc(Cl)cc1 ZINC001437183241 1065517919 /nfs/dbraw/zinc/51/79/19/1065517919.db2.gz OTAHFIIXGVPWKV-CQSZACIVSA-N 0 0 453.892 4.502 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C[C@H]1c1ccccc1 ZINC001437191641 1065518431 /nfs/dbraw/zinc/51/84/31/1065518431.db2.gz NQZFMZZGMNLYFH-VQTJNVASSA-N 0 0 456.970 4.744 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC)C3)cs2)cc1 ZINC001437190247 1065518468 /nfs/dbraw/zinc/51/84/68/1065518468.db2.gz FOBIITHFQKGISZ-LEWJYISDSA-N 0 0 450.560 4.628 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001360536364 1065519074 /nfs/dbraw/zinc/51/90/74/1065519074.db2.gz MGFFNUGOPKJDNK-HNNXBMFYSA-N 0 0 495.466 4.918 20 0 JJADRN COC(=O)c1cc(NC(=O)c2scc(Br)c2Br)ccc1Cl ZINC001437213155 1065519496 /nfs/dbraw/zinc/51/94/96/1065519496.db2.gz FDJGSOGWFKLACR-UHFFFAOYSA-N 0 0 453.539 4.965 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1nccs1 ZINC001360536747 1065519555 /nfs/dbraw/zinc/51/95/55/1065519555.db2.gz PONNKDXCFCSOOG-GJZGRUSLSA-N 0 0 484.979 4.932 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccc(F)cc1 ZINC001360536520 1065519566 /nfs/dbraw/zinc/51/95/66/1065519566.db2.gz YFCCVVBJUUZRKW-HOTGVXAUSA-N 0 0 492.393 4.505 20 0 JJADRN C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1nccs1 ZINC001360536599 1065519593 /nfs/dbraw/zinc/51/95/93/1065519593.db2.gz YXKHNQQSVYJEME-JEWRLFTDSA-N 0 0 462.019 4.539 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOCC2(CCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360536788 1065520026 /nfs/dbraw/zinc/52/00/26/1065520026.db2.gz QLMVIQUGYAOQAM-GOSISDBHSA-N 0 0 490.048 4.861 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cl)ccc1OC(F)F ZINC001360537521 1065521161 /nfs/dbraw/zinc/52/11/61/1065521161.db2.gz GMCAJVOOECAEAZ-LBPRGKRZSA-N 0 0 450.791 4.849 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001545905581 1065521205 /nfs/dbraw/zinc/52/12/05/1065521205.db2.gz DYKVDHNAYLMVKE-IBGZPJMESA-N 0 0 480.682 4.736 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cnn2cccc(Br)c12 ZINC001360537501 1065521355 /nfs/dbraw/zinc/52/13/55/1065521355.db2.gz FYLYUWCBPQDSSS-MUUNZHRXSA-N 0 0 454.349 4.657 20 0 JJADRN C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001360538171 1065522208 /nfs/dbraw/zinc/52/22/08/1065522208.db2.gz DOBIIWXEJQXNLQ-HKUYNNGSSA-N 0 0 456.624 4.997 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC001437224380 1065522549 /nfs/dbraw/zinc/52/25/49/1065522549.db2.gz MGLMWMYVEMIPQZ-YHDSQAASSA-N 0 0 456.583 4.562 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1Br ZINC001360539109 1065523257 /nfs/dbraw/zinc/52/32/57/1065523257.db2.gz VZMYEMOFKOHPCU-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001360538889 1065523295 /nfs/dbraw/zinc/52/32/95/1065523295.db2.gz XQZOIGYEAGHWAB-WRGVRERRSA-N 0 0 450.670 4.544 20 0 JJADRN Cc1c(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001437231574 1065523804 /nfs/dbraw/zinc/52/38/04/1065523804.db2.gz ZDZHONBWUVMFPE-UHFFFAOYSA-N 0 0 455.518 4.845 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)Nc3cc(C(F)(F)F)no3)ccc21 ZINC001437239653 1065524256 /nfs/dbraw/zinc/52/42/56/1065524256.db2.gz CAAWGHBODJICGB-UHFFFAOYSA-N 0 0 452.433 4.815 20 0 JJADRN C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001360540072 1065524269 /nfs/dbraw/zinc/52/42/69/1065524269.db2.gz DEBXEYGCEUKHGO-LJQANCHMSA-N 0 0 453.656 4.661 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC1CCOCC1)Oc1ccc(F)cc1 ZINC001360540078 1065524499 /nfs/dbraw/zinc/52/44/99/1065524499.db2.gz ADCWBODQUHAJOI-KRWDZBQOSA-N 0 0 473.980 4.853 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545905663 1065524817 /nfs/dbraw/zinc/52/48/17/1065524817.db2.gz GUTRDNKNRSCOOF-KAYWLYCHSA-N 0 0 471.690 4.855 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC2(CCCCC2)O1 ZINC001437244817 1065524848 /nfs/dbraw/zinc/52/48/48/1065524848.db2.gz NNNQJUUNKZRBQH-PGRDOPGGSA-N 0 0 455.599 4.554 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001545905664 1065524982 /nfs/dbraw/zinc/52/49/82/1065524982.db2.gz GUTRDNKNRSCOOF-RRPNLBNLSA-N 0 0 471.690 4.855 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1)N(C)c1ccccc1 ZINC001360540537 1065525448 /nfs/dbraw/zinc/52/54/48/1065525448.db2.gz HAERRWDQNFFDBX-HNNXBMFYSA-N 0 0 478.485 4.847 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)C1(c2cncc(Br)c2)CC1 ZINC001437250137 1065525605 /nfs/dbraw/zinc/52/56/05/1065525605.db2.gz CPZSPZJIIGGNCQ-UHFFFAOYSA-N 0 0 456.727 4.794 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1nccs1 ZINC001360540845 1065526825 /nfs/dbraw/zinc/52/68/25/1065526825.db2.gz JLLYCLQSANBWFR-INIZCTEOSA-N 0 0 473.046 4.553 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCc4ccc(F)cc4[C@H](C)C3)[nH]c(=O)c2c1C ZINC001437268182 1065527267 /nfs/dbraw/zinc/52/72/67/1065527267.db2.gz NKPGEUAZCNYUCI-DOMZBBRYSA-N 0 0 459.612 4.963 20 0 JJADRN O=C(c1cccc(F)c1I)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001437275260 1065528234 /nfs/dbraw/zinc/52/82/34/1065528234.db2.gz JYEPKNVYTDMWNG-KZNAEPCWSA-N 0 0 451.279 4.565 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCC[C@H]2CC2(Cl)Cl)[C@H]1c1ccccc1OC ZINC001437272707 1065528280 /nfs/dbraw/zinc/52/82/80/1065528280.db2.gz LSYXOCWVRMFYDP-DJPFJPOOSA-N 0 0 455.426 4.865 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1C[C@H](C)c1nc(C)cs1 ZINC001545905861 1065528477 /nfs/dbraw/zinc/52/84/77/1065528477.db2.gz KUCINXIKQYABGN-KRWDZBQOSA-N 0 0 458.676 4.926 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOC(C)(C)C)Oc1ccccc1F ZINC001360541553 1065528513 /nfs/dbraw/zinc/52/85/13/1065528513.db2.gz LUTSCPHPDFHDAL-MRXNPFEDSA-N 0 0 461.969 4.851 20 0 JJADRN C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541610 1065528618 /nfs/dbraw/zinc/52/86/18/1065528618.db2.gz MWTCPIHVKKJPHF-OALUTQOASA-N 0 0 499.656 4.844 20 0 JJADRN Cc1c(NC(=O)c2nn(-c3ccccc3F)cc2Br)cnn1-c1ccc(C)cc1 ZINC001437279268 1065528994 /nfs/dbraw/zinc/52/89/94/1065528994.db2.gz IKOPWQSVYDIBJT-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)C1CCN(c2nc3ccccc3s2)CC1 ZINC001437283525 1065529509 /nfs/dbraw/zinc/52/95/09/1065529509.db2.gz KCIUSNWYVFEAKW-UHFFFAOYSA-N 0 0 451.777 4.962 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Oc1ccccc1 ZINC001360541811 1065529619 /nfs/dbraw/zinc/52/96/19/1065529619.db2.gz OCPYSSQIVZIFMK-UYAOXDASSA-N 0 0 497.043 4.592 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cc(Cl)ccn1)N1CCOCC1 ZINC001360541786 1065529671 /nfs/dbraw/zinc/52/96/71/1065529671.db2.gz TZWFNKSSDJKRRO-IBGZPJMESA-N 0 0 483.060 4.648 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360541844 1065529910 /nfs/dbraw/zinc/52/99/10/1065529910.db2.gz OMCXIBOSDQGBBT-PXNSSMCTSA-N 0 0 483.016 4.901 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1 ZINC001437283991 1065529999 /nfs/dbraw/zinc/52/99/99/1065529999.db2.gz NNRJAZAAWACABD-BHDDXSALSA-N 0 0 456.970 4.594 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1)c1nccs1 ZINC001360541923 1065530381 /nfs/dbraw/zinc/53/03/81/1065530381.db2.gz VDROZNZUZHJPAH-ZDUSSCGKSA-N 0 0 482.835 4.848 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)c1 ZINC001437285760 1065530443 /nfs/dbraw/zinc/53/04/43/1065530443.db2.gz BXJZBIMLPWBEQU-SFHVURJKSA-N 0 0 456.391 4.945 20 0 JJADRN C[C@@H]1CN(c2cc(F)cc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)c2)C[C@H](C)O1 ZINC001437285162 1065530700 /nfs/dbraw/zinc/53/07/00/1065530700.db2.gz RRDHCEULEYQUHM-CALCHBBNSA-N 0 0 457.546 4.968 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)CC1=O ZINC001437286207 1065531078 /nfs/dbraw/zinc/53/10/78/1065531078.db2.gz GCAAFYROJNDQLW-OXQOHEQNSA-N 0 0 456.970 4.636 20 0 JJADRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001437286928 1065531484 /nfs/dbraw/zinc/53/14/84/1065531484.db2.gz JIWCLWJPYVVUCM-CSMMYAOASA-N 0 0 450.485 4.721 20 0 JJADRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001437286933 1065531499 /nfs/dbraw/zinc/53/14/99/1065531499.db2.gz JIWCLWJPYVVUCM-QEQIRTOISA-N 0 0 450.485 4.721 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc(Cl)c1OCC(C)C ZINC001437286707 1065531541 /nfs/dbraw/zinc/53/15/41/1065531541.db2.gz IALJYWLTBXHVBV-RDJZCZTQSA-N 0 0 454.995 4.901 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCOC1)Oc1ccc(Cl)cc1 ZINC001360542512 1065531839 /nfs/dbraw/zinc/53/18/39/1065531839.db2.gz XQIDXEFOPPRTAF-IAGOWNOFSA-N 0 0 476.408 4.977 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccc(Cl)cc1 ZINC001360542514 1065531858 /nfs/dbraw/zinc/53/18/58/1065531858.db2.gz XQIDXEFOPPRTAF-SJORKVTESA-N 0 0 476.408 4.977 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1ccnc(N2CCCCC2)n1 ZINC001360543090 1065532707 /nfs/dbraw/zinc/53/27/07/1065532707.db2.gz PPQAIVSIZOVMEA-UHFFFAOYSA-N 0 0 450.387 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CC3)C2)n1CCOc1ccccc1C(C)C ZINC001545906045 1065532616 /nfs/dbraw/zinc/53/26/16/1065532616.db2.gz OSHJVDODUBTKCN-UHFFFAOYSA-N 0 0 453.631 4.779 20 0 JJADRN COc1ccc(CCC(=O)N(C)c2nccc(-c3sccc3Br)n2)cc1F ZINC001437296227 1065533273 /nfs/dbraw/zinc/53/32/73/1065533273.db2.gz HEOAGLMXLZIIBZ-UHFFFAOYSA-N 0 0 450.333 4.711 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC001437292105 1065533332 /nfs/dbraw/zinc/53/33/32/1065533332.db2.gz ZYPUWYNGPCRHNE-WBVHZDCISA-N 0 0 455.393 4.512 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC001437292104 1065533424 /nfs/dbraw/zinc/53/34/24/1065533424.db2.gz ZYPUWYNGPCRHNE-RDJZCZTQSA-N 0 0 455.393 4.512 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544692 1065534362 /nfs/dbraw/zinc/53/43/62/1065534362.db2.gz OFIUFVUHLSPJHK-IEBWSBKVSA-N 0 0 497.562 4.748 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1nccs1)Oc1ccc(Cl)cc1 ZINC001360544437 1065534445 /nfs/dbraw/zinc/53/44/45/1065534445.db2.gz JIIAKBBONADQMC-INIZCTEOSA-N 0 0 454.987 4.596 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CC2 ZINC001437301324 1065534502 /nfs/dbraw/zinc/53/45/02/1065534502.db2.gz RSSBWFVKUOVBOT-GCJKJVERSA-N 0 0 455.396 4.722 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C(C)C)cc1Br ZINC001437301310 1065534552 /nfs/dbraw/zinc/53/45/52/1065534552.db2.gz LOUSVWHCPLJROH-UHFFFAOYSA-N 0 0 450.764 4.996 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCOc3c1cc(Br)cc3C(F)(F)F)CO2 ZINC001437306000 1065534918 /nfs/dbraw/zinc/53/49/18/1065534918.db2.gz VADLJZQFHZZFFD-AWEZNQCLSA-N 0 0 456.258 4.986 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360545366 1065536019 /nfs/dbraw/zinc/53/60/19/1065536019.db2.gz CBMJDKBUAIENEP-NRFANRHFSA-N 0 0 480.657 4.998 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001360545315 1065536032 /nfs/dbraw/zinc/53/60/32/1065536032.db2.gz BQTHGDMUMBYWDO-HOTGVXAUSA-N 0 0 451.468 4.669 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360545330 1065536191 /nfs/dbraw/zinc/53/61/91/1065536191.db2.gz ZJMWQJNWBKHDQU-MSOLQXFVSA-N 0 0 450.587 4.737 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)C1 ZINC001437314215 1065536255 /nfs/dbraw/zinc/53/62/55/1065536255.db2.gz DQBSMMALGVGPCG-SIKLNZKXSA-N 0 0 450.526 4.664 20 0 JJADRN COCCN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437314107 1065536316 /nfs/dbraw/zinc/53/63/16/1065536316.db2.gz JUFGPXKEWPESTB-RPBOFIJWSA-N 0 0 464.606 4.702 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CSC)n1CC[C@H]1CCc2ccccc21 ZINC001545906234 1065536333 /nfs/dbraw/zinc/53/63/33/1065536333.db2.gz URORUUGJDHMXPS-CTNGQTDRSA-N 0 0 455.672 4.648 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CC3)C2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545906220 1065536413 /nfs/dbraw/zinc/53/64/13/1065536413.db2.gz UHZKQGUKNWIELR-UHFFFAOYSA-N 0 0 453.631 4.563 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360545668 1065536668 /nfs/dbraw/zinc/53/66/68/1065536668.db2.gz HZPPQCUOTDRBKN-IRLDBZIGSA-N 0 0 478.641 4.923 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360545848 1065537040 /nfs/dbraw/zinc/53/70/40/1065537040.db2.gz LQXRIQJQXVQUEX-QYZOEREBSA-N 0 0 499.685 4.673 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)NC3(c4ccccc4Br)CCC3)CC2=O)c1 ZINC001437318180 1065537107 /nfs/dbraw/zinc/53/71/07/1065537107.db2.gz GXPJBUKMEBELMD-HNNXBMFYSA-N 0 0 459.409 4.720 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Cl)ccn1)Oc1ccc(F)cc1 ZINC001360546320 1065537587 /nfs/dbraw/zinc/53/75/87/1065537587.db2.gz QUSVBHJRCSIVHN-MRXNPFEDSA-N 0 0 454.937 4.575 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360546265 1065537703 /nfs/dbraw/zinc/53/77/03/1065537703.db2.gz PYNLICGXJZQOCE-MSOLQXFVSA-N 0 0 470.643 4.942 20 0 JJADRN COC(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1OC ZINC001437338441 1065538125 /nfs/dbraw/zinc/53/81/25/1065538125.db2.gz PNTNMAKKJVEULW-UHFFFAOYSA-N 0 0 458.470 4.662 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001437333544 1065538141 /nfs/dbraw/zinc/53/81/41/1065538141.db2.gz LGBLICMXPKMISV-WMLDXEAASA-N 0 0 452.477 4.784 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001437333537 1065538339 /nfs/dbraw/zinc/53/83/39/1065538339.db2.gz LGBLICMXPKMISV-RHSMWYFYSA-N 0 0 452.477 4.784 20 0 JJADRN Cc1cc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)ccc1N1C(=O)CCC1=O ZINC001360546987 1065538618 /nfs/dbraw/zinc/53/86/18/1065538618.db2.gz VSTYHAYBDMXBAM-UHFFFAOYSA-N 0 0 450.441 4.758 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360547137 1065538665 /nfs/dbraw/zinc/53/86/65/1065538665.db2.gz ZAUJHZYWLSTHIY-FPOVZHCZSA-N 0 0 494.615 4.804 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360547086 1065538817 /nfs/dbraw/zinc/53/88/17/1065538817.db2.gz YEDJUEKRQFMEIC-RTWAWAEBSA-N 0 0 476.625 4.885 20 0 JJADRN Cc1cc(NC(=O)c2csc(-c3ccc(Br)s3)n2)ccc1C(=O)N(C)C ZINC001360547323 1065539151 /nfs/dbraw/zinc/53/91/51/1065539151.db2.gz CNIQXRRWKBRCQA-UHFFFAOYSA-N 0 0 450.383 4.897 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360547146 1065539247 /nfs/dbraw/zinc/53/92/47/1065539247.db2.gz ZBBAGGJSKJISOK-UWJYYQICSA-N 0 0 455.990 4.712 20 0 JJADRN CNC(=O)[C@H](CNC(=O)C1(c2ccccc2Cl)CCC1)Cc1ccc(C(F)(F)F)cc1 ZINC001437341624 1065539467 /nfs/dbraw/zinc/53/94/67/1065539467.db2.gz BYYWJEBIVGACGV-INIZCTEOSA-N 0 0 452.904 4.502 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1C[C@H](C)Oc1ccc(OC)cc1 ZINC001545906410 1065540311 /nfs/dbraw/zinc/54/03/11/1065540311.db2.gz YFVKNOXABOABLG-SFHVURJKSA-N 0 0 497.665 4.687 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCc1ccc(SC)cc1 ZINC001545906408 1065540409 /nfs/dbraw/zinc/54/04/09/1065540409.db2.gz YFFBHJZVWIOELG-UHFFFAOYSA-N 0 0 485.698 4.558 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H](C)c1nccs1)Oc1ccc(F)cc1 ZINC001360549638 1065541257 /nfs/dbraw/zinc/54/12/57/1065541257.db2.gz WCWDXXMLRAUKKZ-DLBZAZTESA-N 0 0 452.559 4.643 20 0 JJADRN CNC(=O)[C@H](CNC(=O)[C@H](C)Sc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC001437356204 1065541516 /nfs/dbraw/zinc/54/15/16/1065541516.db2.gz XOSDUHAPDJEYJW-ZFWWWQNUSA-N 0 0 458.933 4.561 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1ccc(Br)c(F)c1)c1ccccc1 ZINC001437363533 1065542076 /nfs/dbraw/zinc/54/20/76/1065542076.db2.gz NNMGHHRMIGUJAA-QFIPXVFZSA-N 0 0 450.348 4.547 20 0 JJADRN COc1ccc(SCCC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001437364679 1065542136 /nfs/dbraw/zinc/54/21/36/1065542136.db2.gz PFICLTIRARFBIL-RUZDIDTESA-N 0 0 459.608 4.602 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)NC3(C(=O)OC(C)(C)C)CCCCCC3)c3c2CCC3)c1 ZINC001437363779 1065542202 /nfs/dbraw/zinc/54/22/02/1065542202.db2.gz KSRBMTLXJISJIB-UHFFFAOYSA-N 0 0 455.574 4.973 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001360552226 1065543661 /nfs/dbraw/zinc/54/36/61/1065543661.db2.gz MXEZNCHOCHEFTD-SFHVURJKSA-N 0 0 459.855 4.956 20 0 JJADRN C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1)Oc1ccccc1 ZINC001360553402 1065543925 /nfs/dbraw/zinc/54/39/25/1065543925.db2.gz NBSXEKDYQJUSQD-HNNXBMFYSA-N 0 0 485.411 4.663 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)s2)cc1 ZINC001437376212 1065544065 /nfs/dbraw/zinc/54/40/65/1065544065.db2.gz JVWMYDBPORSKPH-LPHOPBHVSA-N 0 0 459.612 4.974 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(F)cc43)CCCC2)c1 ZINC001437378290 1065544599 /nfs/dbraw/zinc/54/45/99/1065544599.db2.gz GODJAXDUOPNEFF-HXUWFJFHSA-N 0 0 459.583 4.948 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001360553679 1065544713 /nfs/dbraw/zinc/54/47/13/1065544713.db2.gz CCKZYFFRWNNCNV-KRWDZBQOSA-N 0 0 473.593 4.646 20 0 JJADRN C[C@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC001437379283 1065544869 /nfs/dbraw/zinc/54/48/69/1065544869.db2.gz MKALKWYZPFFMAC-MAUKXSAKSA-N 0 0 456.505 4.831 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360554853 1065545883 /nfs/dbraw/zinc/54/58/83/1065545883.db2.gz OQZPCOFBQVUYMZ-LAUBAEHRSA-N 0 0 457.594 4.934 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC001437382654 1065546083 /nfs/dbraw/zinc/54/60/83/1065546083.db2.gz JASXMKUDEKAPEV-UHFFFAOYSA-N 0 0 453.951 4.858 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437383605 1065546145 /nfs/dbraw/zinc/54/61/45/1065546145.db2.gz XDKBFQWSELJJME-SJLPKXTDSA-N 0 0 456.414 4.726 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)o1 ZINC001360556719 1065546240 /nfs/dbraw/zinc/54/62/40/1065546240.db2.gz AQAANFWJXYLLAH-UHFFFAOYSA-N 0 0 457.483 4.556 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360557441 1065546840 /nfs/dbraw/zinc/54/68/40/1065546840.db2.gz AHMIBIFCGNQVLU-HKUYNNGSSA-N 0 0 457.644 4.830 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c(Cl)c1 ZINC001437390917 1065547406 /nfs/dbraw/zinc/54/74/06/1065547406.db2.gz ITAVCHFANCAWPA-UHFFFAOYSA-N 0 0 453.257 4.889 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccc(Cl)cc1 ZINC001360558815 1065548003 /nfs/dbraw/zinc/54/80/03/1065548003.db2.gz CMJRWSXHPNKNPO-APWZRJJASA-N 0 0 462.019 4.776 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558696 1065548042 /nfs/dbraw/zinc/54/80/42/1065548042.db2.gz BKIDMARONGYNMJ-PGRDOPGGSA-N 0 0 487.620 4.908 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001360558790 1065548061 /nfs/dbraw/zinc/54/80/61/1065548061.db2.gz CJEJUHUPRXOZKX-MISYRCLQSA-N 0 0 452.521 4.871 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(SC2CCCC2)cc1 ZINC001545906679 1065548085 /nfs/dbraw/zinc/54/80/85/1065548085.db2.gz ISXGBOVXWLHSNM-UHFFFAOYSA-N 0 0 459.420 4.945 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(CC(C)C)c3ccc(C)cc3C)CC2)c1 ZINC001437413011 1065548371 /nfs/dbraw/zinc/54/83/71/1065548371.db2.gz KDOIWWUZSZAXOA-UHFFFAOYSA-N 0 0 452.595 4.862 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559213 1065548430 /nfs/dbraw/zinc/54/84/30/1065548430.db2.gz GMHNYFQNZFLSFS-AVRWGWEMSA-N 0 0 463.667 4.833 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(F)c2)cn1 ZINC001360559194 1065548487 /nfs/dbraw/zinc/54/84/87/1065548487.db2.gz GITPQTIIZBDJBD-GCJKJVERSA-N 0 0 468.577 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C12CCCC2 ZINC001437413036 1065548414 /nfs/dbraw/zinc/54/84/14/1065548414.db2.gz FTXCQDPACVYRFY-BHIYHBOVSA-N 0 0 468.516 4.607 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(F)c2)cn1 ZINC001360559193 1065548666 /nfs/dbraw/zinc/54/86/66/1065548666.db2.gz GITPQTIIZBDJBD-AVRDEDQJSA-N 0 0 468.577 4.676 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437416438 1065548692 /nfs/dbraw/zinc/54/86/92/1065548692.db2.gz NPZYSIMTJRLUCH-PXNSSMCTSA-N 0 0 455.603 4.763 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001360559697 1065549010 /nfs/dbraw/zinc/54/90/10/1065549010.db2.gz LLJLNFAMVWCOJR-RTWAWAEBSA-N 0 0 467.658 4.780 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559216 1065549278 /nfs/dbraw/zinc/54/92/78/1065549278.db2.gz GMHNYFQNZFLSFS-IQGLISFBSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)nn1-c1cccc(Cl)c1 ZINC001437417447 1065549249 /nfs/dbraw/zinc/54/92/49/1065549249.db2.gz RIHWWXOGARXRQW-HXUWFJFHSA-N 0 0 458.990 4.886 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)cc2nc1CC ZINC001437421068 1065550200 /nfs/dbraw/zinc/55/02/00/1065550200.db2.gz HPJAMNIVWLXXCA-QYBDOPJKSA-N 0 0 452.599 4.522 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cnc(-c3c(F)cccc3F)s1)C2 ZINC001437421040 1065550366 /nfs/dbraw/zinc/55/03/66/1065550366.db2.gz FWIKCRBBNYRSNT-PSLXWICFSA-N 0 0 463.550 4.855 20 0 JJADRN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)n1 ZINC001437421856 1065550605 /nfs/dbraw/zinc/55/06/05/1065550605.db2.gz QIZKVLXOJMAAHV-GUYCJALGSA-N 0 0 450.352 4.509 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1nccs1 ZINC001360560441 1065550956 /nfs/dbraw/zinc/55/09/56/1065550956.db2.gz WWNPZJCXLVWFRK-MSOLQXFVSA-N 0 0 490.674 4.664 20 0 JJADRN C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)n1 ZINC001437426395 1065551033 /nfs/dbraw/zinc/55/10/33/1065551033.db2.gz ZIVZMLWTVPXINN-UZLBHIALSA-N 0 0 454.571 4.564 20 0 JJADRN COCc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C(F)(F)F ZINC001437435537 1065551073 /nfs/dbraw/zinc/55/10/73/1065551073.db2.gz DRWRUBXANLEJMR-HNNXBMFYSA-N 0 0 452.420 4.683 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CCc1cc(Br)ccc1F)C2 ZINC001437425020 1065551168 /nfs/dbraw/zinc/55/11/68/1065551168.db2.gz WPKOZSWBPBHYNO-AOMKIAJQSA-N 0 0 469.395 4.674 20 0 JJADRN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)n1 ZINC001437426387 1065551225 /nfs/dbraw/zinc/55/12/25/1065551225.db2.gz ZIVZMLWTVPXINN-OXJNMPFZSA-N 0 0 454.571 4.564 20 0 JJADRN COCc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1C(F)(F)F ZINC001437435538 1065551324 /nfs/dbraw/zinc/55/13/24/1065551324.db2.gz DRWRUBXANLEJMR-OAHLLOKOSA-N 0 0 452.420 4.683 20 0 JJADRN C[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccccc1-c1ccc(Cl)cc1 ZINC001360560886 1065552004 /nfs/dbraw/zinc/55/20/04/1065552004.db2.gz JFKKJSRAGWUVNY-OAHLLOKOSA-N 0 0 453.951 4.549 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)Cc1cnn2ccccc12 ZINC001360561210 1065552020 /nfs/dbraw/zinc/55/20/20/1065552020.db2.gz VFOYFYZLHHOHMH-ZDUSSCGKSA-N 0 0 455.381 4.949 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)Oc1ccc(F)cc1 ZINC001360562744 1065552535 /nfs/dbraw/zinc/55/25/35/1065552535.db2.gz FPAVJNYLXZCANS-WTLGNFPFSA-N 0 0 456.484 4.761 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)Oc1cccc(F)c1 ZINC001360562799 1065553156 /nfs/dbraw/zinc/55/31/56/1065553156.db2.gz GBIUVHMPPFQWNB-QUCCMNQESA-N 0 0 487.620 4.845 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCc3ccc(C(C)C)cc3C2)C1 ZINC001437448357 1065553646 /nfs/dbraw/zinc/55/36/46/1065553646.db2.gz SMIFRRBVKMJLRY-RPLLCQBOSA-N 0 0 450.579 4.511 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC001360563761 1065553652 /nfs/dbraw/zinc/55/36/52/1065553652.db2.gz METSDVFTTBLWQH-KZNAEPCWSA-N 0 0 476.046 4.989 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC001360563762 1065553931 /nfs/dbraw/zinc/55/39/31/1065553931.db2.gz METSDVFTTBLWQH-RCCFBDPRSA-N 0 0 476.046 4.989 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C)c1nccs1 ZINC001360563952 1065554333 /nfs/dbraw/zinc/55/43/33/1065554333.db2.gz NDRGSNBCJDEQKS-NCXUSEDFSA-N 0 0 474.675 4.888 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001437456890 1065554707 /nfs/dbraw/zinc/55/47/07/1065554707.db2.gz WEJJPHPBINISJU-IBGZPJMESA-N 0 0 454.567 4.970 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001437457737 1065554891 /nfs/dbraw/zinc/55/48/91/1065554891.db2.gz YBGZRXZWITUYJJ-ZCNNSNEGSA-N 0 0 458.599 4.617 20 0 JJADRN COc1ccc(Br)cc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437457855 1065554908 /nfs/dbraw/zinc/55/49/08/1065554908.db2.gz AYLIZLNDQGQFGS-OAHLLOKOSA-N 0 0 457.187 4.938 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccc(F)cc1 ZINC001360564186 1065555056 /nfs/dbraw/zinc/55/50/56/1065555056.db2.gz MPKOSNJEFIQFIU-KBPBESRZSA-N 0 0 485.507 4.500 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437462195 1065555475 /nfs/dbraw/zinc/55/54/75/1065555475.db2.gz MXGZGIOATNSTQM-RTWAWAEBSA-N 0 0 457.393 4.817 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1)Oc1ccc(F)cc1 ZINC001360564969 1065555536 /nfs/dbraw/zinc/55/55/36/1065555536.db2.gz UCYBKPOYKVCXBU-OALUTQOASA-N 0 0 473.593 4.599 20 0 JJADRN O=C(N[C@H]1CSCc2ccc(Br)cc21)C1(c2cccc(F)c2)CCOCC1 ZINC001437462827 1065556016 /nfs/dbraw/zinc/55/60/16/1065556016.db2.gz PQIQKNUSPOGDSV-IBGZPJMESA-N 0 0 450.373 4.741 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)N(C)c1ccccc1 ZINC001360565718 1065556706 /nfs/dbraw/zinc/55/67/06/1065556706.db2.gz YWBZBYSALNEZAI-RQNQAMLKSA-N 0 0 455.647 4.686 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001360566369 1065557429 /nfs/dbraw/zinc/55/74/29/1065557429.db2.gz MISKNSIFXQWVIU-UHFFFAOYSA-N 0 0 459.587 4.669 20 0 JJADRN O=C(C[C@@H]1CCCCO1)N[C@@H](c1ccc(F)cc1)c1ccccc1I ZINC001360567311 1065558056 /nfs/dbraw/zinc/55/80/56/1065558056.db2.gz DPNWUMRSUHGOFY-JXFKEZNVSA-N 0 0 453.295 4.595 20 0 JJADRN COCCOc1ccc(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001437473856 1065558034 /nfs/dbraw/zinc/55/80/34/1065558034.db2.gz UCIOGJYVIXURJW-QHCPKHFHSA-N 0 0 451.485 4.777 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001545907131 1065558187 /nfs/dbraw/zinc/55/81/87/1065558187.db2.gz AUUXILFFGHGOQH-QGZVFWFLSA-N 0 0 499.603 4.707 20 0 JJADRN Cc1csc(CCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n1 ZINC001360567504 1065558486 /nfs/dbraw/zinc/55/84/86/1065558486.db2.gz IPNBXINRFFXLNV-KRWDZBQOSA-N 0 0 457.518 4.785 20 0 JJADRN COc1cccc(C[C@H](C(=O)Nc2ccc(CCCc3ccccc3)cc2)n2nnnc2C)c1 ZINC001360567800 1065558990 /nfs/dbraw/zinc/55/89/90/1065558990.db2.gz UVWUCECHVMPURZ-AREMUKBSSA-N 0 0 455.562 4.588 20 0 JJADRN O=C(CCCc1ccc2c(c1)CCCC2)NCCc1ccc(I)s1 ZINC001360567624 1065559054 /nfs/dbraw/zinc/55/90/54/1065559054.db2.gz ODSKUKUNWNELPX-UHFFFAOYSA-N 0 0 453.389 4.913 20 0 JJADRN CCC[C@H](C)N(C(=O)c1csc(N2CCCCC2)n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360568064 1065559391 /nfs/dbraw/zinc/55/93/91/1065559391.db2.gz AGNZRKDZCYUAPH-AWEZNQCLSA-N 0 0 450.630 4.910 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001360568069 1065559591 /nfs/dbraw/zinc/55/95/91/1065559591.db2.gz BJDVVDJJSOYFIT-PMACEKPBSA-N 0 0 487.664 4.850 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N(C3CCC3)C3CN(C(=O)OC(C)(C)C)C3)c2)cn1 ZINC001437476896 1065560051 /nfs/dbraw/zinc/56/00/51/1065560051.db2.gz FCZUDIYLIQWUJT-UHFFFAOYSA-N 0 0 451.567 4.583 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC001360568194 1065560221 /nfs/dbraw/zinc/56/02/21/1065560221.db2.gz BQQUFTORNCOVNI-SIKLNZKXSA-N 0 0 465.621 4.705 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc(C(F)(F)F)c1 ZINC001360568629 1065560587 /nfs/dbraw/zinc/56/05/87/1065560587.db2.gz HPGKCJWDKGVLSJ-UHFFFAOYSA-N 0 0 459.424 4.788 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1)Oc1ccccc1F ZINC001360568643 1065560663 /nfs/dbraw/zinc/56/06/63/1065560663.db2.gz DYXMLCICJDEYLI-RTBURBONSA-N 0 0 486.661 4.813 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001437482468 1065560745 /nfs/dbraw/zinc/56/07/45/1065560745.db2.gz ZDRNPTBLXJJGQB-OALUTQOASA-N 0 0 452.576 4.568 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccc(F)cc1 ZINC001360569171 1065561917 /nfs/dbraw/zinc/56/19/17/1065561917.db2.gz IOLAAGMBKHCTCA-ICSRJNTNSA-N 0 0 489.636 4.967 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360569761 1065563072 /nfs/dbraw/zinc/56/30/72/1065563072.db2.gz LPMVDXNTLCXQKH-IAGOWNOFSA-N 0 0 462.664 4.620 20 0 JJADRN CCc1c(Br)cc(C(=O)Oc2cccc(OC(=O)NC)c2)cc1Br ZINC001437505620 1065563573 /nfs/dbraw/zinc/56/35/73/1065563573.db2.gz RXWVBQTYONRLLJ-UHFFFAOYSA-N 0 0 457.118 4.711 20 0 JJADRN CC(C)c1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)CCO2)no1 ZINC001360570694 1065563709 /nfs/dbraw/zinc/56/37/09/1065563709.db2.gz UUKLWPKBIQVUSD-FXAWDEMLSA-N 0 0 486.592 4.558 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(C(=O)N(C)c3ccccc3)c1)CCC2 ZINC001437506413 1065564387 /nfs/dbraw/zinc/56/43/87/1065564387.db2.gz HYAFKXARUXZOLG-HSZRJFAPSA-N 0 0 456.542 4.600 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001360570735 1065564363 /nfs/dbraw/zinc/56/43/63/1065564363.db2.gz OLBBHIDFLAVWJQ-OAHLLOKOSA-N 0 0 470.511 4.821 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccs2)CC1)N(C)c1ccccc1 ZINC001360570896 1065564466 /nfs/dbraw/zinc/56/44/66/1065564466.db2.gz XFHHEBNNAWNXRE-NRFANRHFSA-N 0 0 466.699 4.775 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1)Oc1ccccc1 ZINC001360571064 1065565194 /nfs/dbraw/zinc/56/51/94/1065565194.db2.gz YOWNCZXSFPUEPZ-FQEVSTJZSA-N 0 0 466.605 4.585 20 0 JJADRN CC(C)(NC(=O)c1cc(I)ccc1Br)c1cccs1 ZINC001360572017 1065565786 /nfs/dbraw/zinc/56/57/86/1065565786.db2.gz ORZFEWMYRRONDT-UHFFFAOYSA-N 0 0 450.139 4.780 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CCOc1cccc(Cl)c1)c1nccs1 ZINC001360572916 1065566615 /nfs/dbraw/zinc/56/66/15/1065566615.db2.gz AYDMHQUXPZWZIL-KRWDZBQOSA-N 0 0 469.014 4.693 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CCOc1cccc(Cl)c1)c1nccs1 ZINC001360572917 1065566685 /nfs/dbraw/zinc/56/66/85/1065566685.db2.gz AYDMHQUXPZWZIL-QGZVFWFLSA-N 0 0 469.014 4.693 20 0 JJADRN C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1)N(C)C(=O)OC(C)(C)C ZINC001360573041 1065566801 /nfs/dbraw/zinc/56/68/01/1065566801.db2.gz DKBSHGFOCSBDDQ-MRXNPFEDSA-N 0 0 497.537 4.962 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360573531 1065567220 /nfs/dbraw/zinc/56/72/20/1065567220.db2.gz NONRFGBVPZTDJV-OALUTQOASA-N 0 0 494.615 4.782 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccsc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360573197 1065567360 /nfs/dbraw/zinc/56/73/60/1065567360.db2.gz HFZHSYYOLQWFCD-LJQANCHMSA-N 0 0 496.681 4.965 20 0 JJADRN C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1nccs1 ZINC001360573691 1065567631 /nfs/dbraw/zinc/56/76/31/1065567631.db2.gz QPRDHRYSNQUDAV-CJNGLKHVSA-N 0 0 471.936 4.550 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360573815 1065567641 /nfs/dbraw/zinc/56/76/41/1065567641.db2.gz TYUPERAYXRXPCZ-KSZLIROESA-N 0 0 459.516 4.598 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360573840 1065567778 /nfs/dbraw/zinc/56/77/78/1065567778.db2.gz UIPKIGWBJWJORQ-WMZHIEFXSA-N 0 0 467.589 4.654 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360574100 1065568231 /nfs/dbraw/zinc/56/82/31/1065568231.db2.gz ZGQXTVWOCLQDKX-NFBKMPQASA-N 0 0 476.625 4.513 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(Br)cc3ccccc32)cc1 ZINC001437528463 1065568256 /nfs/dbraw/zinc/56/82/56/1065568256.db2.gz UJCXUHAUFAIQTH-UHFFFAOYSA-N 0 0 454.353 4.617 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCSC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001360573961 1065568444 /nfs/dbraw/zinc/56/84/44/1065568444.db2.gz WOCWZAUZHFSECT-QGZVFWFLSA-N 0 0 458.031 4.717 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1ccc(Cl)cc1 ZINC001360574365 1065568910 /nfs/dbraw/zinc/56/89/10/1065568910.db2.gz FIWPIADHBWRUPW-SFHVURJKSA-N 0 0 470.017 4.779 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360574503 1065569629 /nfs/dbraw/zinc/56/96/29/1065569629.db2.gz IEWHDBQWLSTDID-WOJBJXKFSA-N 0 0 464.614 4.717 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1CCCc1cccc(F)c1 ZINC001545907633 1065569927 /nfs/dbraw/zinc/56/99/27/1065569927.db2.gz NPMZUDVZVLGRAE-NRFANRHFSA-N 0 0 461.651 4.690 20 0 JJADRN CCOC(=O)[C@](NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1)(C1CCC1)C(F)(F)F ZINC001437546246 1065570502 /nfs/dbraw/zinc/57/05/02/1065570502.db2.gz PPIQMXQIWDXFCX-YUIUBULTSA-N 0 0 453.379 4.769 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360575010 1065570643 /nfs/dbraw/zinc/57/06/43/1065570643.db2.gz SBGBNLJKGKLWSE-NRFANRHFSA-N 0 0 490.652 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001437547349 1065570848 /nfs/dbraw/zinc/57/08/48/1065570848.db2.gz HDUFQRRJFDCEHO-WXFUMESZSA-N 0 0 450.579 4.714 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)Nc2cccc(OCc3ccc(C)cc3)c2)cs1)C(N)=O ZINC001360575279 1065571251 /nfs/dbraw/zinc/57/12/51/1065571251.db2.gz FWNYXZDNJBRQFF-FQEVSTJZSA-N 0 0 455.605 4.568 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(F)cc1)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360575408 1065571359 /nfs/dbraw/zinc/57/13/59/1065571359.db2.gz VTWHNHPYFAQREP-IBGZPJMESA-N 0 0 494.615 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2cccc(Br)c2)C1 ZINC001437551236 1065572071 /nfs/dbraw/zinc/57/20/71/1065572071.db2.gz PULOUNCSSRVFLT-NHCUHLMSSA-N 0 0 473.411 4.901 20 0 JJADRN C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCCCC1)N(C)C(=O)OC(C)(C)C ZINC001360577453 1065572562 /nfs/dbraw/zinc/57/25/62/1065572562.db2.gz BJDIPXREGKRYMV-IBGZPJMESA-N 0 0 481.645 4.541 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cnn1-c1ccc(F)cc1 ZINC001437552697 1065572664 /nfs/dbraw/zinc/57/26/64/1065572664.db2.gz QRKQLUMYNGYYSE-ISKFKSNPSA-N 0 0 478.568 4.843 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccncc2Br)C1 ZINC001437553994 1065573068 /nfs/dbraw/zinc/57/30/68/1065573068.db2.gz VZFTYRBJVIHKLN-VQIMIIECSA-N 0 0 478.362 4.506 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC1COC(C)(C)OC1)Oc1ccc(Cl)cc1 ZINC001360578352 1065573350 /nfs/dbraw/zinc/57/33/50/1065573350.db2.gz IHPPWGUMARMAGR-SFHVURJKSA-N 0 0 477.049 4.967 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Oc1cccc(F)c1 ZINC001360578141 1065573513 /nfs/dbraw/zinc/57/35/13/1065573513.db2.gz GIXYDHLVSJYGJH-QZTJIDSGSA-N 0 0 483.554 4.690 20 0 JJADRN CO[C@](C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)COCc1ccccc1 ZINC001437554373 1065573514 /nfs/dbraw/zinc/57/35/14/1065573514.db2.gz OMUWGHSWJLERAR-MUUNZHRXSA-N 0 0 455.558 4.891 20 0 JJADRN CCCCCCO[C@@H](C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001437554929 1065573630 /nfs/dbraw/zinc/57/36/30/1065573630.db2.gz GBNNMGGFLLTRNA-VJBMBRPKSA-N 0 0 462.631 4.890 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1nccs1 ZINC001360578559 1065574050 /nfs/dbraw/zinc/57/40/50/1065574050.db2.gz KKIDXVBSASUHMQ-CQSZACIVSA-N 0 0 467.565 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001437555015 1065574016 /nfs/dbraw/zinc/57/40/16/1065574016.db2.gz YTMNNFUTGLMAFG-FGZHOGPDSA-N 0 0 451.542 4.690 20 0 JJADRN CO[C@@](C)(CNC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21)COCc1ccccc1 ZINC001437556021 1065574258 /nfs/dbraw/zinc/57/42/58/1065574258.db2.gz RPYHMWNUDVXNTM-MHZLTWQESA-N 0 0 459.546 4.858 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360578913 1065574487 /nfs/dbraw/zinc/57/44/87/1065574487.db2.gz OBMLROJFBDRHGS-ICSRJNTNSA-N 0 0 487.620 4.721 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360578915 1065574589 /nfs/dbraw/zinc/57/45/89/1065574589.db2.gz OBMLROJFBDRHGS-QUCCMNQESA-N 0 0 487.620 4.721 20 0 JJADRN CCCCS[C@@H](C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001437556623 1065574623 /nfs/dbraw/zinc/57/46/23/1065574623.db2.gz KBQUQQPKPRJWKO-YYWHXJBOSA-N 0 0 450.645 4.826 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360579076 1065575063 /nfs/dbraw/zinc/57/50/63/1065575063.db2.gz PQLMGQQKNBZFPG-REWPJTCUSA-N 0 0 483.657 4.544 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2scnc2CC)cc1 ZINC001437557769 1065575192 /nfs/dbraw/zinc/57/51/92/1065575192.db2.gz MJGJBGRMEIWKLU-ICSRJNTNSA-N 0 0 459.612 4.627 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CCc3ccc(OC)cc32)cc1 ZINC001437557579 1065575376 /nfs/dbraw/zinc/57/53/76/1065575376.db2.gz LPCCOKCBOAESKA-LSQMVHIFSA-N 0 0 480.605 4.643 20 0 JJADRN Cc1ccn(-c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)cc2)n1 ZINC001437557340 1065575450 /nfs/dbraw/zinc/57/54/50/1065575450.db2.gz LGKGBFJKCDPCLJ-DNQXCXABSA-N 0 0 478.568 4.843 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360579211 1065575775 /nfs/dbraw/zinc/57/57/75/1065575775.db2.gz QRFHOBLGMHOGNZ-QGZVFWFLSA-N 0 0 495.565 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)/C=C\COc2ccccc2)C1 ZINC001437559116 1065575655 /nfs/dbraw/zinc/57/56/55/1065575655.db2.gz PLYDPFYISFIODI-ONLBCIRFSA-N 0 0 454.542 4.670 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001437559541 1065576305 /nfs/dbraw/zinc/57/63/05/1065576305.db2.gz UWQKEYUKGMOAMR-UEQSERJNSA-N 0 0 468.569 4.847 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)Cc2ccc(C)cc2)cc1 ZINC001437560559 1065576903 /nfs/dbraw/zinc/57/69/03/1065576903.db2.gz UNGHLXOLHCLFPL-ZEQRLZLVSA-N 0 0 452.595 4.846 20 0 JJADRN C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC001360579770 1065576839 /nfs/dbraw/zinc/57/68/39/1065576839.db2.gz UPIRGTYDYWMEEG-IBGZPJMESA-N 0 0 484.670 4.650 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579904 1065577377 /nfs/dbraw/zinc/57/73/77/1065577377.db2.gz YHLYJCMKUOBSMB-AZUAARDMSA-N 0 0 455.672 4.543 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC001437561587 1065577468 /nfs/dbraw/zinc/57/74/68/1065577468.db2.gz FTIQOZDHSSGUQY-SJKOYZFVSA-N 0 0 458.274 4.677 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccnc(Cl)c2)cc1 ZINC001437562726 1065577891 /nfs/dbraw/zinc/57/78/91/1065577891.db2.gz ZNDPODRPIOYUTA-PMACEKPBSA-N 0 0 459.974 4.657 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1sc(-c2cccs2)nc1C)c1ccccc1Br ZINC001437569423 1065578527 /nfs/dbraw/zinc/57/85/27/1065578527.db2.gz ZGHXOVWXMXDOSU-AWEZNQCLSA-N 0 0 451.367 4.587 20 0 JJADRN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N(C)Cc1nccs1)N(C)C(=O)OC(C)(C)C ZINC001360581270 1065579029 /nfs/dbraw/zinc/57/90/29/1065579029.db2.gz CXICIQOGFPGBHS-IBGZPJMESA-N 0 0 484.670 4.802 20 0 JJADRN CCc1cc(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)c2c(CC(C)(C)C)noc2n1 ZINC001360581906 1065579043 /nfs/dbraw/zinc/57/90/43/1065579043.db2.gz NHMMVQWCBCOZRK-YTTGMZPUSA-N 0 0 457.596 4.521 20 0 JJADRN CO[C@H](CNC(=O)c1ccccc1SCc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC001437571375 1065579042 /nfs/dbraw/zinc/57/90/42/1065579042.db2.gz GAWVFARQYRNZFM-VQIMIIECSA-N 0 0 450.398 4.523 20 0 JJADRN C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1nccs1 ZINC001360582452 1065579491 /nfs/dbraw/zinc/57/94/91/1065579491.db2.gz OLAUWWHNADUVIT-PZJWPPBQSA-N 0 0 469.655 4.944 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc3ccc(Br)cc3s2)c1 ZINC001360582588 1065580027 /nfs/dbraw/zinc/58/00/27/1065580027.db2.gz VJMPYRWQHRQLSJ-SANMLTNESA-N 0 0 452.395 4.811 20 0 JJADRN COc1ccc(/C=C/C(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001437577580 1065580142 /nfs/dbraw/zinc/58/01/42/1065580142.db2.gz CIFJPWGLWCEYHX-RNTFSAEZSA-N 0 0 452.551 4.590 20 0 JJADRN COc1ccc([C@H](NC(=O)/C=C/c2ccc(I)o2)c2ccccc2)cc1 ZINC001437576893 1065580173 /nfs/dbraw/zinc/58/01/73/1065580173.db2.gz KSVWPGXOUBACAV-ZISLFAKRSA-N 0 0 459.283 4.812 20 0 JJADRN CC(C)(C)N(Cc1ccsc1)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC001437579609 1065580653 /nfs/dbraw/zinc/58/06/53/1065580653.db2.gz LJQXVFNBPWWKCO-UHFFFAOYSA-N 0 0 458.443 4.892 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)c(C)s2)cc1 ZINC001437581871 1065581331 /nfs/dbraw/zinc/58/13/31/1065581331.db2.gz RYPFZSSBSOFGIW-UHFFFAOYSA-N 0 0 459.593 4.661 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001437587261 1065582405 /nfs/dbraw/zinc/58/24/05/1065582405.db2.gz UHBFVOCMFKSZFS-GMKZXUHWSA-N 0 0 454.586 4.989 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)c1nccs1 ZINC001360583867 1065582322 /nfs/dbraw/zinc/58/23/22/1065582322.db2.gz LZFKXJNJDNLJKH-IRXDYDNUSA-N 0 0 462.019 4.634 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC001437598681 1065583485 /nfs/dbraw/zinc/58/34/85/1065583485.db2.gz HAOFJXDGLBGQBZ-NSHDSACASA-N 0 0 455.736 4.859 20 0 JJADRN O=C(Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001437602230 1065583520 /nfs/dbraw/zinc/58/35/20/1065583520.db2.gz JHFMDSZJFKEKGU-HNNXBMFYSA-N 0 0 456.424 4.715 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360584232 1065583631 /nfs/dbraw/zinc/58/36/31/1065583631.db2.gz UDFOZFDETHDBJK-OAHLLOKOSA-N 0 0 493.530 4.911 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NCC[S@](=O)CC(F)(F)F)c2C1 ZINC001437604638 1065584187 /nfs/dbraw/zinc/58/41/87/1065584187.db2.gz ODWBBGYZLDLVJM-IWAYBZMOSA-N 0 0 454.558 4.817 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001360584496 1065584444 /nfs/dbraw/zinc/58/44/44/1065584444.db2.gz WVAILOUTHPANOB-QZTJIDSGSA-N 0 0 496.483 4.757 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)Cc3csc(-c4ccoc4)n3)nc21 ZINC001437614744 1065584815 /nfs/dbraw/zinc/58/48/15/1065584815.db2.gz NIUQRVJICHBKOO-UHFFFAOYSA-N 0 0 450.339 4.965 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)c3cc(N(C)C)nc4ccccc43)nc21 ZINC001437614316 1065584878 /nfs/dbraw/zinc/58/48/78/1065584878.db2.gz MDVWBGAOGYSIIM-UHFFFAOYSA-N 0 0 457.353 4.934 20 0 JJADRN Cc1c(Br)c(C(=O)NC2(c3ccc(Br)cc3)CCCCC2)nn1C ZINC001437621355 1065585162 /nfs/dbraw/zinc/58/51/62/1065585162.db2.gz QLQSNTNXUWBXSK-UHFFFAOYSA-N 0 0 455.194 4.843 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)O[C@@H](c2ccc(Br)cc2C)C(F)(F)F)cc1 ZINC001437622353 1065585431 /nfs/dbraw/zinc/58/54/31/1065585431.db2.gz OGMPFRGGTCEOCZ-INIZCTEOSA-N 0 0 455.234 4.502 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)c(C(C)(C)C)n2)cc1 ZINC001360585346 1065585288 /nfs/dbraw/zinc/58/52/88/1065585288.db2.gz ZWNMJXSWKCMQLX-OAQYLSRUSA-N 0 0 450.970 4.667 20 0 JJADRN C[C@@H](Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C)c1nccs1 ZINC001360586279 1065585928 /nfs/dbraw/zinc/58/59/28/1065585928.db2.gz CKWLRVDCXKBPOX-LSDHHAIUSA-N 0 0 467.565 4.893 20 0 JJADRN C[C@@H](Cn1c(N2CCC(CO)(Cc3ccccc3)CC2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360585996 1065586073 /nfs/dbraw/zinc/58/60/73/1065586073.db2.gz ANBUYHUJRLNHPH-NRFANRHFSA-N 0 0 499.700 4.653 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1cc(-c2cccc(F)c2)no1 ZINC001437629783 1065586472 /nfs/dbraw/zinc/58/64/72/1065586472.db2.gz ZLMMBBZXHXZXME-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN C[C@H](Cn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360586289 1065586681 /nfs/dbraw/zinc/58/66/81/1065586681.db2.gz CTMGKJSSMMAKED-MJGOQNOKSA-N 0 0 495.628 4.533 20 0 JJADRN COC[C@@]1(C(=O)OC)CCCN1C(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC001437636979 1065587066 /nfs/dbraw/zinc/58/70/66/1065587066.db2.gz YAFBENIMZXKUGI-OAQYLSRUSA-N 0 0 454.375 4.939 20 0 JJADRN COC[C@]1(C(=O)OC)CCCN1C(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC001437636969 1065587201 /nfs/dbraw/zinc/58/72/01/1065587201.db2.gz YAFBENIMZXKUGI-NRFANRHFSA-N 0 0 454.375 4.939 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC001437663979 1065588943 /nfs/dbraw/zinc/58/89/43/1065588943.db2.gz LEZNNMBTIPBQJY-QCLDULSCSA-N 0 0 454.379 4.750 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCS[C@@H]1C(F)(F)F ZINC001437662146 1065588991 /nfs/dbraw/zinc/58/89/91/1065588991.db2.gz CYZSGANSSVRYTF-SNVBAGLBSA-N 0 0 456.054 4.675 20 0 JJADRN CCC(=O)c1ccc(C(=O)Nc2c3c(sc2C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001437665071 1065589009 /nfs/dbraw/zinc/58/90/09/1065589009.db2.gz IAEZJVVHAPMBFR-UHFFFAOYSA-N 0 0 458.536 4.630 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)/C=C\c1ccc(Cl)s1 ZINC001437669531 1065589674 /nfs/dbraw/zinc/58/96/74/1065589674.db2.gz SZYIJKJXFKDDHP-UXHZXRBQSA-N 0 0 458.761 4.559 20 0 JJADRN CC(C)(C)OC(=O)c1cccnc1NC(=O)c1cc(Br)ccc1Br ZINC001437665999 1065589844 /nfs/dbraw/zinc/58/98/44/1065589844.db2.gz VEQAKJFGWPWFJN-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)c1ccccc1 ZINC001360587612 1065589772 /nfs/dbraw/zinc/58/97/72/1065589772.db2.gz NUEYZKYCBDHOOC-RLLQIKCJSA-N 0 0 482.654 4.945 20 0 JJADRN C[C@H](Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360587944 1065590396 /nfs/dbraw/zinc/59/03/96/1065590396.db2.gz VGVREJKYALWQPH-HZPDHXFCSA-N 0 0 473.971 4.769 20 0 JJADRN C[C@@H](Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360587942 1065590590 /nfs/dbraw/zinc/59/05/90/1065590590.db2.gz VGVREJKYALWQPH-CVEARBPZSA-N 0 0 473.971 4.769 20 0 JJADRN CCOc1cccc(CCC(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1 ZINC001437685517 1065590741 /nfs/dbraw/zinc/59/07/41/1065590741.db2.gz IBZJZYVBSHEDMZ-HSZRJFAPSA-N 0 0 454.567 4.965 20 0 JJADRN CCN(C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC001437680252 1065591027 /nfs/dbraw/zinc/59/10/27/1065591027.db2.gz RUVDXHPCADTZQD-UHFFFAOYSA-N 0 0 457.290 4.971 20 0 JJADRN CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)CCc1cc(Cl)ccc1Br ZINC001437685557 1065591482 /nfs/dbraw/zinc/59/14/82/1065591482.db2.gz IYTFBOYCVPRNSC-UHFFFAOYSA-N 0 0 457.796 4.551 20 0 JJADRN C[C@H](Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C)c1nccs1 ZINC001360588295 1065591769 /nfs/dbraw/zinc/59/17/69/1065591769.db2.gz ZKGLDMAFLDYEIW-QGZVFWFLSA-N 0 0 487.073 4.842 20 0 JJADRN Cc1cc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cnc1C(F)(F)F ZINC001437695710 1065592782 /nfs/dbraw/zinc/59/27/82/1065592782.db2.gz QVLHGJWHKUWGQB-GZTJUZNOSA-N 0 0 456.453 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC[C@H]12 ZINC001437692132 1065592793 /nfs/dbraw/zinc/59/27/93/1065592793.db2.gz FIPUXDWIZUMFBG-XHNVNVPESA-N 0 0 477.646 4.605 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1OC ZINC001360588632 1065592783 /nfs/dbraw/zinc/59/27/83/1065592783.db2.gz AHPIVJJEONSJBN-KRWDZBQOSA-N 0 0 450.329 4.667 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001360588571 1065592828 /nfs/dbraw/zinc/59/28/28/1065592828.db2.gz ZBPDVXUCMWCRRZ-OALUTQOASA-N 0 0 473.637 4.559 20 0 JJADRN C[C@H](Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360588557 1065592861 /nfs/dbraw/zinc/59/28/61/1065592861.db2.gz YTRRENZDOKQAQB-WOJBJXKFSA-N 0 0 465.671 4.652 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001437701754 1065593379 /nfs/dbraw/zinc/59/33/79/1065593379.db2.gz RHLVOJSYTWAFOG-OTWHNJEPSA-N 0 0 465.635 4.508 20 0 JJADRN Cc1c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588936 1065593401 /nfs/dbraw/zinc/59/34/01/1065593401.db2.gz LNGFUFMLUHYOJK-UHFFFAOYSA-N 0 0 454.514 4.761 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cnc1C(F)(F)F ZINC001437698822 1065593521 /nfs/dbraw/zinc/59/35/21/1065593521.db2.gz WYSNFBNWAWWNLA-CYBMUJFWSA-N 0 0 457.399 4.501 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C ZINC001360589210 1065593836 /nfs/dbraw/zinc/59/38/36/1065593836.db2.gz WJLRXJJPACHTAT-UHFFFAOYSA-N 0 0 453.402 4.703 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001437703923 1065593910 /nfs/dbraw/zinc/59/39/10/1065593910.db2.gz URRUSQPJXAABBS-CRAIPNDOSA-N 0 0 456.505 4.812 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2c(Cl)oc3ccccc32)cc1 ZINC001437703408 1065594018 /nfs/dbraw/zinc/59/40/18/1065594018.db2.gz SXCLPDOCJDYSSF-UHFFFAOYSA-N 0 0 454.935 4.841 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2c(Cl)oc3ccccc32)c1 ZINC001437707341 1065594659 /nfs/dbraw/zinc/59/46/59/1065594659.db2.gz TYGGLJXIKGDPBY-LJQANCHMSA-N 0 0 458.942 4.847 20 0 JJADRN Cn1nnnc1-c1ccc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC001437714727 1065595150 /nfs/dbraw/zinc/59/51/50/1065595150.db2.gz MWSCOHYHKZJYRW-HXUWFJFHSA-N 0 0 454.317 4.943 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)Oc1ccccc1 ZINC001360590441 1065595672 /nfs/dbraw/zinc/59/56/72/1065595672.db2.gz JKQWGKVVWWVMBO-ZVDOUQERSA-N 0 0 487.670 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)(c2ccccc2)C1 ZINC001437720595 1065595836 /nfs/dbraw/zinc/59/58/36/1065595836.db2.gz GLNODSJRCPCLPR-NOMHHCBYSA-N 0 0 456.627 4.808 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccccc1 ZINC001360590661 1065596193 /nfs/dbraw/zinc/59/61/93/1065596193.db2.gz NTAKXDOKLHZXGV-GIWBLDEGSA-N 0 0 499.656 4.680 20 0 JJADRN O=C(c1cnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001437730828 1065596443 /nfs/dbraw/zinc/59/64/43/1065596443.db2.gz HSGOTHAPGXNIKC-SFHVURJKSA-N 0 0 455.358 4.522 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)C12CCC2 ZINC001437724066 1065596587 /nfs/dbraw/zinc/59/65/87/1065596587.db2.gz KOGDQGVPFGAOFQ-HZPDHXFCSA-N 0 0 459.222 4.997 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437728750 1065596612 /nfs/dbraw/zinc/59/66/12/1065596612.db2.gz PFOOFODLOLFQND-IBGZPJMESA-N 0 0 458.628 4.781 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(F)(F)F)Oc1ccccc1F ZINC001360590809 1065596770 /nfs/dbraw/zinc/59/67/70/1065596770.db2.gz QUUSWLJWDZBWQL-IIDMSEBBSA-N 0 0 458.500 4.802 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C(C)C)C3)cc2)c1 ZINC001437731592 1065597147 /nfs/dbraw/zinc/59/71/47/1065597147.db2.gz VPOYFVBPALGHRN-HHHXNRCGSA-N 0 0 456.586 4.909 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCSC1)Oc1ccccc1F ZINC001360590905 1065597397 /nfs/dbraw/zinc/59/73/97/1065597397.db2.gz SKJUWSDFZLYRJR-LXGFNABISA-N 0 0 462.635 4.745 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cscn1)Oc1ccc(F)cc1 ZINC001360590927 1065597504 /nfs/dbraw/zinc/59/75/04/1065597504.db2.gz STMOCAAZHQUKIM-ZLGUVYLKSA-N 0 0 473.618 4.896 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC3)c(Cl)cc1Cl ZINC001437741238 1065598293 /nfs/dbraw/zinc/59/82/93/1065598293.db2.gz ZLVRFPINEPHBIX-LBPRGKRZSA-N 0 0 457.379 4.648 20 0 JJADRN O=C(c1cnc(-c2ccccc2Cl)nc1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001437741296 1065598385 /nfs/dbraw/zinc/59/83/85/1065598385.db2.gz CWVFNRUFNNADPE-LJQANCHMSA-N 0 0 458.743 4.773 20 0 JJADRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001437745480 1065598922 /nfs/dbraw/zinc/59/89/22/1065598922.db2.gz MBRHIIADWOYPLO-HNNXBMFYSA-N 0 0 450.201 4.960 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n(-c2ccccc2)n1 ZINC001545909216 1065599369 /nfs/dbraw/zinc/59/93/69/1065599369.db2.gz YTEUXTLJEVKYDF-GCJKJVERSA-N 0 0 456.631 4.803 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001437747243 1065599384 /nfs/dbraw/zinc/59/93/84/1065599384.db2.gz QHLCSDUAUJPDIX-LJQANCHMSA-N 0 0 451.281 4.913 20 0 JJADRN O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001437753767 1065601448 /nfs/dbraw/zinc/60/14/48/1065601448.db2.gz SDZIYSPMJNDPFX-ZDUSSCGKSA-N 0 0 458.830 4.858 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2C)ccc1OCC(=O)OC ZINC001437769106 1065603065 /nfs/dbraw/zinc/60/30/65/1065603065.db2.gz PHWCIGCAPNNMKL-UHFFFAOYSA-N 0 0 458.511 4.545 20 0 JJADRN Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001437766485 1065603126 /nfs/dbraw/zinc/60/31/26/1065603126.db2.gz IIKHTYDGZUYCLO-SFHVURJKSA-N 0 0 455.530 4.972 20 0 JJADRN CC1CCN(C(=S)SCC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC001437771080 1065603704 /nfs/dbraw/zinc/60/37/04/1065603704.db2.gz QOJCRRDHTWSPHH-UHFFFAOYSA-N 0 0 455.487 4.638 20 0 JJADRN Cc1c(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)nnn1-c1ccccc1 ZINC001437776340 1065604677 /nfs/dbraw/zinc/60/46/77/1065604677.db2.gz SGKZCQUXNGRWTI-UHFFFAOYSA-N 0 0 459.197 4.628 20 0 JJADRN COc1cc(N2C[C@H](C(=O)Oc3cccc(C4CCCCC4)c3)CC2=O)cc(OC)c1OC ZINC001437777875 1065604703 /nfs/dbraw/zinc/60/47/03/1065604703.db2.gz OWGDULIVPYKADF-LJQANCHMSA-N 0 0 453.535 4.719 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001437774216 1065604746 /nfs/dbraw/zinc/60/47/46/1065604746.db2.gz XMNDUSGPLZCUHC-LJQANCHMSA-N 0 0 451.773 4.656 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001437781822 1065605269 /nfs/dbraw/zinc/60/52/69/1065605269.db2.gz NFBKEYICNVAJPB-HNNXBMFYSA-N 0 0 456.315 4.627 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCOC2)c1ccc(C(F)(F)F)cc1 ZINC001437778799 1065605341 /nfs/dbraw/zinc/60/53/41/1065605341.db2.gz VCVQQLQSWTZTAV-IBGZPJMESA-N 0 0 450.457 4.983 20 0 JJADRN Cc1sc(Br)nc1C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001437789555 1065606020 /nfs/dbraw/zinc/60/60/20/1065606020.db2.gz FAQOVTDUVASJNO-TZMCWYRMSA-N 0 0 460.438 4.760 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001437790958 1065606754 /nfs/dbraw/zinc/60/67/54/1065606754.db2.gz JQTJGANWOAIKOR-JZZBYWGLSA-N 0 0 457.615 4.827 20 0 JJADRN O=C(Nc1ccn(C2CCOCC2)n1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001437790296 1065606806 /nfs/dbraw/zinc/60/68/06/1065606806.db2.gz JRTBNSBPHIQUFN-UHFFFAOYSA-N 0 0 459.369 4.796 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001437790964 1065606876 /nfs/dbraw/zinc/60/68/76/1065606876.db2.gz JQTJGANWOAIKOR-MCEIDBOGSA-N 0 0 457.615 4.827 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCC[C@@H]3c3cccc(C)c3)C2)cc1 ZINC001360595661 1065607557 /nfs/dbraw/zinc/60/75/57/1065607557.db2.gz BSKIBCZUUIVTHP-UKILVPOCSA-N 0 0 454.636 4.848 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc3cc(Br)cc(C)c3o2)cc1F ZINC001437792505 1065607712 /nfs/dbraw/zinc/60/77/12/1065607712.db2.gz HVINDDWYSOUIKW-LLVKDONJSA-N 0 0 450.260 4.835 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001437792311 1065607828 /nfs/dbraw/zinc/60/78/28/1065607828.db2.gz NRHBAEDACUDRQX-RYRKJORJSA-N 0 0 458.521 4.916 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCc1ccc([Si](C)(C)C)cc1)c1ccccc1 ZINC001437794086 1065608381 /nfs/dbraw/zinc/60/83/81/1065608381.db2.gz JUFDBOLGQFEWHS-HSZRJFAPSA-N 0 0 454.687 4.937 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCc1ccc([Si](C)(C)C)cc1)c1ccccc1 ZINC001437794090 1065608406 /nfs/dbraw/zinc/60/84/06/1065608406.db2.gz JUFDBOLGQFEWHS-QHCPKHFHSA-N 0 0 454.687 4.937 20 0 JJADRN C[Si](C)(C)c1ccc(CCNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC001437793841 1065608434 /nfs/dbraw/zinc/60/84/34/1065608434.db2.gz JMBNQQFRUHOMGD-UHFFFAOYSA-N 0 0 457.650 4.519 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1F ZINC001437793809 1065608607 /nfs/dbraw/zinc/60/86/07/1065608607.db2.gz WSQLWPXHNKBPMB-AWEZNQCLSA-N 0 0 459.420 4.876 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001437796107 1065609328 /nfs/dbraw/zinc/60/93/28/1065609328.db2.gz ZCMXJHSPVXWUSQ-NFBKMPQASA-N 0 0 473.658 4.847 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001437798518 1065610920 /nfs/dbraw/zinc/61/09/20/1065610920.db2.gz MNGINPBZLBPNGB-DNVCBOLYSA-N 0 0 453.258 4.524 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc([Si](C)(C)C)cc3)s2)cc1OC ZINC001437801306 1065611586 /nfs/dbraw/zinc/61/15/86/1065611586.db2.gz ZYYQLEOABWICPQ-UHFFFAOYSA-N 0 0 454.668 4.653 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC001437800994 1065611623 /nfs/dbraw/zinc/61/16/23/1065611623.db2.gz QWQAWVUFVGITGO-MEMLXQNLSA-N 0 0 453.620 4.792 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC001437809023 1065612684 /nfs/dbraw/zinc/61/26/84/1065612684.db2.gz BKCKHMRPCHQHDH-QWRGUYRKSA-N 0 0 458.324 4.872 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)N3CC(C)(C)c4ccc(Br)cc43)CCC2=O)c1 ZINC001437804880 1065612694 /nfs/dbraw/zinc/61/26/94/1065612694.db2.gz MLWUNSKDPGZPFF-UHFFFAOYSA-N 0 0 454.368 4.873 20 0 JJADRN O=C(c1cccn(CC(F)(F)F)c1=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001437814320 1065614241 /nfs/dbraw/zinc/61/42/41/1065614241.db2.gz HRMNUXLAZZLKOF-SFHVURJKSA-N 0 0 452.885 4.913 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC001437817306 1065614955 /nfs/dbraw/zinc/61/49/55/1065614955.db2.gz CDUVNCHENHHSKV-RDJZCZTQSA-N 0 0 450.373 4.539 20 0 JJADRN Cn1ccnc1C(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nccn1C ZINC001437821310 1065615919 /nfs/dbraw/zinc/61/59/19/1065615919.db2.gz ZKRPGRNTADMMKC-UHFFFAOYSA-N 0 0 451.983 4.619 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N2CC3(CC3)c3ccc(Br)cc32)n1 ZINC001437821808 1065615956 /nfs/dbraw/zinc/61/59/56/1065615956.db2.gz BTQDATBEMFLXMF-UHFFFAOYSA-N 0 0 453.178 4.855 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)CCCC(C)(C)C1 ZINC001437827831 1065616765 /nfs/dbraw/zinc/61/67/65/1065616765.db2.gz KLRPXUWSXRTHCY-HHHXNRCGSA-N 0 0 453.579 4.705 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC001437841684 1065618451 /nfs/dbraw/zinc/61/84/51/1065618451.db2.gz PFBCMSOPTGZXIE-UHFFFAOYSA-N 0 0 451.523 4.504 20 0 JJADRN O=C(N[C@H]1CCCSc2ccc(Br)cc21)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001437845536 1065619053 /nfs/dbraw/zinc/61/90/53/1065619053.db2.gz DCNRSUASVGFRBA-WFASDCNBSA-N 0 0 451.352 4.767 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@H]1CCCSc2ccc(Br)cc21)N1CCCCC1=O ZINC001437849578 1065619907 /nfs/dbraw/zinc/61/99/07/1065619907.db2.gz NAOBEWOLGNUHEK-ZWKOTPCHSA-N 0 0 453.446 4.920 20 0 JJADRN COC(=O)c1ccc(NC(=O)C/C=C/c2ccc(Br)cc2)c(OCC(F)F)c1 ZINC001437850078 1065619942 /nfs/dbraw/zinc/61/99/42/1065619942.db2.gz NTNGVKMTZUYKFU-NSCUHMNNSA-N 0 0 454.267 4.922 20 0 JJADRN COC(=O)c1ccc(NC(=O)C/C=C\c2ccc(Br)cc2)c(OCC(F)F)c1 ZINC001437850071 1065620008 /nfs/dbraw/zinc/62/00/08/1065620008.db2.gz NTNGVKMTZUYKFU-IHWYPQMZSA-N 0 0 454.267 4.922 20 0 JJADRN O=C(OCc1cccc(F)c1OC(F)F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001437860543 1065621484 /nfs/dbraw/zinc/62/14/84/1065621484.db2.gz VQXLYXVQCCRENC-UHFFFAOYSA-N 0 0 455.388 4.580 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2cc(Cl)n3nc(C)cc3n2)nnc1-c1ccccc1 ZINC001437862074 1065621625 /nfs/dbraw/zinc/62/16/25/1065621625.db2.gz KJCCYBZQWQHXEC-CQSZACIVSA-N 0 0 455.975 4.651 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC001437867109 1065621649 /nfs/dbraw/zinc/62/16/49/1065621649.db2.gz BGENBDUWLPUHHE-WOJBJXKFSA-N 0 0 459.587 4.927 20 0 JJADRN Cc1cc2nc(NC(=O)c3cccnc3Oc3cccc(Br)c3)cc(Cl)n2n1 ZINC001437862130 1065621725 /nfs/dbraw/zinc/62/17/25/1065621725.db2.gz MTDZOZMLSKLFBE-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001360601002 1065623163 /nfs/dbraw/zinc/62/31/63/1065623163.db2.gz WVIFSNFDRABETN-RHSMWYFYSA-N 0 0 458.946 4.571 20 0 JJADRN COc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)ccc1OC(F)F ZINC001437873207 1065623134 /nfs/dbraw/zinc/62/31/34/1065623134.db2.gz MGLVSOXPNYLIRU-WWMCIYDGSA-N 0 0 454.514 4.955 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[C@H]1F ZINC001437875333 1065623160 /nfs/dbraw/zinc/62/31/60/1065623160.db2.gz YHCVLZBWFXUTAS-NHCUHLMSSA-N 0 0 462.949 4.996 20 0 JJADRN C[C@@H]1c2ccccc2OCCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001437877740 1065624160 /nfs/dbraw/zinc/62/41/60/1065624160.db2.gz NTHXVWYYVXRONH-CQSZACIVSA-N 0 0 455.308 4.890 20 0 JJADRN COc1cc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(C)cc4)CCCC3)cc2cc1OC ZINC001437891257 1065625968 /nfs/dbraw/zinc/62/59/68/1065625968.db2.gz OKXQCYQWTXARPY-UHFFFAOYSA-N 0 0 453.560 4.891 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)cnc1Br ZINC001437897749 1065627669 /nfs/dbraw/zinc/62/76/69/1065627669.db2.gz VPSKVJQLMZAYIQ-HNNXBMFYSA-N 0 0 454.162 4.813 20 0 JJADRN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001437903069 1065628410 /nfs/dbraw/zinc/62/84/10/1065628410.db2.gz DFKQKXYTUOCZPA-QFIPXVFZSA-N 0 0 459.468 4.517 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)nc1 ZINC001437903131 1065628426 /nfs/dbraw/zinc/62/84/26/1065628426.db2.gz XVWUMSPYJDJAOM-AWEZNQCLSA-N 0 0 459.930 4.944 20 0 JJADRN CCS(=O)(=O)C1(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001437901776 1065628434 /nfs/dbraw/zinc/62/84/34/1065628434.db2.gz IQIILNJRGSTHLY-GOSISDBHSA-N 0 0 458.432 4.910 20 0 JJADRN Cn1nc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001437903973 1065629399 /nfs/dbraw/zinc/62/93/99/1065629399.db2.gz LIINVWCVINULDT-AVRDEDQJSA-N 0 0 456.468 4.558 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1S(=O)(=O)N1CCCCC1 ZINC001360605286 1065630810 /nfs/dbraw/zinc/63/08/10/1065630810.db2.gz QDRVDDDHRYTFST-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(Br)cc2)C(C)(C)C)c1 ZINC001437927016 1065630906 /nfs/dbraw/zinc/63/09/06/1065630906.db2.gz ABWKWQDXYPSEIC-UHFFFAOYSA-N 0 0 456.377 4.823 20 0 JJADRN CCCn1c(CCC(=O)N2[C@H](CC)CCC[C@@H]2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC001437917039 1065631043 /nfs/dbraw/zinc/63/10/43/1065631043.db2.gz YXFSKWXKCSQGRY-VQTJNVASSA-N 0 0 476.687 4.589 20 0 JJADRN Cc1nc(C(=O)N2CCc3ccc(F)c(Br)c3C2)nn1-c1ccccc1C(C)C ZINC001437930038 1065631842 /nfs/dbraw/zinc/63/18/42/1065631842.db2.gz QLYLZGNNJYFQKO-UHFFFAOYSA-N 0 0 457.347 4.799 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cc(C(F)(F)F)c1 ZINC001437930247 1065632029 /nfs/dbraw/zinc/63/20/29/1065632029.db2.gz RIPAYQUDKZEOHS-UHFFFAOYSA-N 0 0 459.237 4.764 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 ZINC001360606984 1065632640 /nfs/dbraw/zinc/63/26/40/1065632640.db2.gz GOUZIEZFCNHJDL-CYBMUJFWSA-N 0 0 484.464 4.776 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc3cccnc32)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360607400 1065633727 /nfs/dbraw/zinc/63/37/27/1065633727.db2.gz JIXWVFCGJMLHSZ-MOPGFXCFSA-N 0 0 494.640 4.658 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@H](CC)Cc3ccc(Br)cc3)CC2=O)cc1 ZINC001437947006 1065634347 /nfs/dbraw/zinc/63/43/47/1065634347.db2.gz JJSLZTNREZTMPB-TZIWHRDSSA-N 0 0 457.412 4.892 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1CCc1ccc(C)cc1 ZINC001545911268 1065635423 /nfs/dbraw/zinc/63/54/23/1065635423.db2.gz ZPPHYJQKJSHABJ-JOCHJYFZSA-N 0 0 466.655 4.854 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360608245 1065635453 /nfs/dbraw/zinc/63/54/53/1065635453.db2.gz NZJUOJIFULXMMI-MRXNPFEDSA-N 0 0 488.995 4.930 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001437962884 1065636899 /nfs/dbraw/zinc/63/68/99/1065636899.db2.gz POMRPKXZZGVWOC-KRWDZBQOSA-N 0 0 450.402 4.816 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2)nnc1N1CCC(c2nccs2)CC1 ZINC001360608742 1065636989 /nfs/dbraw/zinc/63/69/89/1065636989.db2.gz SMBAHYMFFYDXHK-SFHVURJKSA-N 0 0 482.654 4.946 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccon1 ZINC001360608762 1065637030 /nfs/dbraw/zinc/63/70/30/1065637030.db2.gz SZLAQKAWBMWYJX-CQSZACIVSA-N 0 0 478.956 4.523 20 0 JJADRN 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Cc1nnc(-c2cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)c2)n1C ZINC001545917905 1065747813 /nfs/dbraw/zinc/74/78/13/1065747813.db2.gz YLBVSLGIKDCRPU-IBGZPJMESA-N 0 0 455.946 4.648 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCO2)CC1)C(F)(F)F ZINC001360722182 1065748245 /nfs/dbraw/zinc/74/82/45/1065748245.db2.gz LHJFGCBKXSFKEJ-NQIIRXRSSA-N 0 0 472.939 4.697 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2=CCCOC2)CC1)C(F)(F)F ZINC001360722004 1065748277 /nfs/dbraw/zinc/74/82/77/1065748277.db2.gz IHPPUEWKAWDEKM-OAQYLSRUSA-N 0 0 488.913 4.614 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(C3CC3)n2CCc2ccccc2C(F)(F)F)CC1)C(F)(F)F ZINC001360722369 1065748732 /nfs/dbraw/zinc/74/87/32/1065748732.db2.gz OSHAHDWZYCTBIQ-FQEVSTJZSA-N 0 0 476.465 4.947 20 0 JJADRN COCCC1(NC(=O)c2cncc(-c3cccc(C)c3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001438745420 1065748766 /nfs/dbraw/zinc/74/87/66/1065748766.db2.gz MIGCTFRYBJPSIE-UHFFFAOYSA-N 0 0 453.583 4.593 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCC[C@@H]1CC ZINC001545918202 1065751437 /nfs/dbraw/zinc/75/14/37/1065751437.db2.gz JNANDDJVBPEMLG-RBUKOAKNSA-N 0 0 488.627 4.628 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCC[C@H]1CC ZINC001545918219 1065751567 /nfs/dbraw/zinc/75/15/67/1065751567.db2.gz KCCWZYWLFMWAMD-MOPGFXCFSA-N 0 0 488.627 4.628 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001438775996 1065751592 /nfs/dbraw/zinc/75/15/92/1065751592.db2.gz BTFMVDOJHUBQSV-UHFFFAOYSA-N 0 0 450.276 4.664 20 0 JJADRN O=C(Nc1cccc2c1NC(=O)CO2)c1ccccc1OCc1ccccc1Br ZINC001438785228 1065752062 /nfs/dbraw/zinc/75/20/62/1065752062.db2.gz OAJPHSWTISHOIF-UHFFFAOYSA-N 0 0 453.292 4.611 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC001360724542 1065752152 /nfs/dbraw/zinc/75/21/52/1065752152.db2.gz RNONAWLOWRYZTE-YLJYHZDGSA-N 0 0 476.902 4.500 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(Cc3ccncc3)n2CCCCc2ccccc2)CC1)C(F)(F)F ZINC001360724464 1065752193 /nfs/dbraw/zinc/75/21/93/1065752193.db2.gz PYYVHKPCAVNBLE-VWLOTQADSA-N 0 0 487.570 4.817 20 0 JJADRN COc1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)cc1C(=O)c1ccccc1 ZINC001438786721 1065752153 /nfs/dbraw/zinc/75/21/53/1065752153.db2.gz DKNALRQVMYWDDF-OAQYLSRUSA-N 0 0 452.304 4.631 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)NC(c2cccs2)c2cccs2)CC1 ZINC001360724934 1065752506 /nfs/dbraw/zinc/75/25/06/1065752506.db2.gz APFVPVWLNRIHLQ-UHFFFAOYSA-N 0 0 454.617 4.723 20 0 JJADRN Cc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)C2CC2)cc1C ZINC001360725151 1065752565 /nfs/dbraw/zinc/75/25/65/1065752565.db2.gz GCEBTCSPQIVRAO-NRFANRHFSA-N 0 0 454.636 4.980 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cnn1-c1ccccc1OC ZINC001360725955 1065752602 /nfs/dbraw/zinc/75/26/02/1065752602.db2.gz FQQKWJBEAUIGOJ-UHFFFAOYSA-N 0 0 451.954 4.832 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)cc1 ZINC001438791339 1065752495 /nfs/dbraw/zinc/75/24/95/1065752495.db2.gz UXUVFFIMKZNXAT-UHFFFAOYSA-N 0 0 451.544 4.752 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Br)ccc1C(C)(C)C ZINC001438813803 1065753558 /nfs/dbraw/zinc/75/35/58/1065753558.db2.gz LYDPTTLQXPBACL-ZDUSSCGKSA-N 0 0 456.377 4.934 20 0 JJADRN COc1ccc2onc(CC(=O)N[C@@H]3c4ccccc4N(C(=O)OC(C)(C)C)C3(C)C)c2c1 ZINC001438810019 1065753688 /nfs/dbraw/zinc/75/36/88/1065753688.db2.gz CINMUGSIVHPLGL-JOCHJYFZSA-N 0 0 451.523 4.770 20 0 JJADRN C[C@](O)(Cn1c(-c2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC001360726789 1065753560 /nfs/dbraw/zinc/75/35/60/1065753560.db2.gz IGVMIIBNXBIIIY-IBGZPJMESA-N 0 0 485.432 4.569 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001438816242 1065754124 /nfs/dbraw/zinc/75/41/24/1065754124.db2.gz BQZIJBGXVLJRDW-PXDATVDWSA-N 0 0 468.663 4.977 20 0 JJADRN O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001438819989 1065754834 /nfs/dbraw/zinc/75/48/34/1065754834.db2.gz FGVMIGJLZZMACH-SFTDATJTSA-N 0 0 456.384 4.578 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COc1ccccc1SCC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730522 1065757569 /nfs/dbraw/zinc/75/75/69/1065757569.db2.gz LVRYDNPDWSWMHT-UHFFFAOYSA-N 0 0 451.264 4.525 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001438850574 1065757774 /nfs/dbraw/zinc/75/77/74/1065757774.db2.gz UMIFXCNMBCOACV-NRFANRHFSA-N 0 0 452.448 4.906 20 0 JJADRN Cn1cc(CN(C(=O)c2csc(Br)c2)c2ccc(Br)cc2)cn1 ZINC001438853969 1065758177 /nfs/dbraw/zinc/75/81/77/1065758177.db2.gz KXELZMKZIFNNMN-UHFFFAOYSA-N 0 0 455.175 4.854 20 0 JJADRN Cn1cc(Cl)c(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)n1 ZINC001438853978 1065758508 /nfs/dbraw/zinc/75/85/08/1065758508.db2.gz AWLXTVRZEIUKAW-UHFFFAOYSA-N 0 0 454.186 4.818 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001360731330 1065758822 /nfs/dbraw/zinc/75/88/22/1065758822.db2.gz CZBITCPFEICJDX-FPOVZHCZSA-N 0 0 485.673 4.662 20 0 JJADRN C[C@@](O)(Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001360731029 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O=C(CCNC(=O)c1cccs1)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001438915015 1065765449 /nfs/dbraw/zinc/76/54/49/1065765449.db2.gz LWGYJPOYABOBPH-UHFFFAOYSA-N 0 0 450.894 4.908 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(cncc2Br)s1 ZINC001438913313 1065765528 /nfs/dbraw/zinc/76/55/28/1065765528.db2.gz AOYPGOBFQCRSPO-LBPRGKRZSA-N 0 0 454.390 4.578 20 0 JJADRN O=C(NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)c1ccnc(-n2cncn2)c1 ZINC001438915547 1065766154 /nfs/dbraw/zinc/76/61/54/1065766154.db2.gz MXDULDWXJLVSHO-UHFFFAOYSA-N 0 0 458.280 4.831 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001438915558 1065766224 /nfs/dbraw/zinc/76/62/24/1065766224.db2.gz JOBGWVHLAUCCAS-ZBFHGGJFSA-N 0 0 457.434 4.836 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1CCCCO1 ZINC001360736816 1065766327 /nfs/dbraw/zinc/76/63/27/1065766327.db2.gz IAZTVSPVESGRGP-HRAATJIYSA-N 0 0 459.953 4.811 20 0 JJADRN CCSc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)ccn1 ZINC001438917410 1065766853 /nfs/dbraw/zinc/76/68/53/1065766853.db2.gz PVOKRDXHYJJWEZ-HXUWFJFHSA-N 0 0 457.596 4.636 20 0 JJADRN CCSc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)ccn1 ZINC001438917404 1065766875 /nfs/dbraw/zinc/76/68/75/1065766875.db2.gz PVOKRDXHYJJWEZ-FQEVSTJZSA-N 0 0 457.596 4.636 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccco2)n1CCOc1ncccc1Cl ZINC001360737291 1065766928 /nfs/dbraw/zinc/76/69/28/1065766928.db2.gz KWCXTVRCTMJRJZ-MRXNPFEDSA-N 0 0 471.920 4.914 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)Cn3ccc4ccc(Cl)cc43)CC2)nc1C ZINC001438922145 1065767307 /nfs/dbraw/zinc/76/73/07/1065767307.db2.gz XMDCMOLSOYPVMO-UHFFFAOYSA-N 0 0 459.999 4.718 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC1(C)CC1 ZINC001360737496 1065767195 /nfs/dbraw/zinc/76/71/95/1065767195.db2.gz FTCCZOPFMOXUPJ-AWEZNQCLSA-N 0 0 466.483 4.746 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Br)cs2)n1CC1(O)CCC1 ZINC001360737319 1065767362 /nfs/dbraw/zinc/76/73/62/1065767362.db2.gz LJSRRSJMBCSUDO-CQSZACIVSA-N 0 0 495.418 4.933 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Br)cs2)n1CC1(O)CCC1 ZINC001360737318 1065767404 /nfs/dbraw/zinc/76/74/04/1065767404.db2.gz LJSRRSJMBCSUDO-AWEZNQCLSA-N 0 0 495.418 4.933 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001438921949 1065767485 /nfs/dbraw/zinc/76/74/85/1065767485.db2.gz YRPXECSPQMLHLM-HNAYVOBHSA-N 0 0 452.357 4.840 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)Cc1c(Cl)cccc1Br)CC2 ZINC001438924674 1065767993 /nfs/dbraw/zinc/76/79/93/1065767993.db2.gz ALGJBOMFGJDOJG-UHFFFAOYSA-N 0 0 452.776 4.982 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)c1Br ZINC001438932545 1065768048 /nfs/dbraw/zinc/76/80/48/1065768048.db2.gz DSIWWNZIKVMZFF-MRXNPFEDSA-N 0 0 456.388 4.811 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(Cl)nc1 ZINC001360738489 1065768633 /nfs/dbraw/zinc/76/86/33/1065768633.db2.gz LXGWUUWDSFPKKM-OXJNMPFZSA-N 0 0 459.953 4.659 20 0 JJADRN C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001438937095 1065768975 /nfs/dbraw/zinc/76/89/75/1065768975.db2.gz VNRZTJKPDOGHSA-OAHLLOKOSA-N 0 0 450.926 4.749 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCC2)n1CCC(=O)NC1CCCCC1 ZINC001360738538 1065768960 /nfs/dbraw/zinc/76/89/60/1065768960.db2.gz NIMMCEWECLIBAH-GOSISDBHSA-N 0 0 457.594 4.633 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CC(F)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360738496 1065769197 /nfs/dbraw/zinc/76/91/97/1065769197.db2.gz MATHOJYBQWSANM-PGYGNJIDSA-N 0 0 493.599 4.999 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001438937263 1065769053 /nfs/dbraw/zinc/76/90/53/1065769053.db2.gz GMZQGBKSIMTLQA-CABCVRRESA-N 0 0 458.839 4.544 20 0 JJADRN COc1coc(C(=O)N(C)Cc2ccc(Br)cc2Oc2ccc(C)cc2)cc1=O ZINC001438937452 1065769089 /nfs/dbraw/zinc/76/90/89/1065769089.db2.gz XRXFQCFSQOQFGJ-UHFFFAOYSA-N 0 0 458.308 4.784 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001360738415 1065769237 /nfs/dbraw/zinc/76/92/37/1065769237.db2.gz PVRJYRZQJWEPKE-FGTMMUONSA-N 0 0 492.642 4.641 20 0 JJADRN O=C(NC1(c2cc(Cl)cc(Br)c2)CC1)c1cnc(OCc2ccccc2)cn1 ZINC001438938269 1065769649 /nfs/dbraw/zinc/76/96/49/1065769649.db2.gz VWXVPYUMRNTMHJ-UHFFFAOYSA-N 0 0 458.743 4.891 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001438938587 1065769716 /nfs/dbraw/zinc/76/97/16/1065769716.db2.gz HKBHPZBLBAYKFL-IPMKNSEASA-N 0 0 481.312 4.631 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1C[C@@](C)(O)C1CCCCC1 ZINC001360738685 1065769760 /nfs/dbraw/zinc/76/97/60/1065769760.db2.gz RTSOOQYPMJJCML-YCRPNKLZSA-N 0 0 458.500 4.887 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)Cn1c(=O)oc2ccccc21 ZINC001438939653 1065770247 /nfs/dbraw/zinc/77/02/47/1065770247.db2.gz KWYGKKBBLFYGHG-UHFFFAOYSA-N 0 0 458.848 4.977 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2CCCC2)n1CCC(=O)N1CCCCC1 ZINC001360739305 1065770462 /nfs/dbraw/zinc/77/04/62/1065770462.db2.gz RXRYYUYAMULKNW-IBGZPJMESA-N 0 0 457.594 4.586 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccsc1 ZINC001360739293 1065770473 /nfs/dbraw/zinc/77/04/73/1065770473.db2.gz RVVVPLACKNYRGM-INIZCTEOSA-N 0 0 460.575 4.502 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360739385 1065771043 /nfs/dbraw/zinc/77/10/43/1065771043.db2.gz WSVPGDNKTVRFFU-JYYAWHABSA-N 0 0 471.499 4.551 20 0 JJADRN CCc1ccccc1Oc1ccc(CN(C)C(=O)c2ccccc2OCC(N)=O)c(Cl)c1 ZINC001438952157 1065771299 /nfs/dbraw/zinc/77/12/99/1065771299.db2.gz XVWRSLAFLGJALR-UHFFFAOYSA-N 0 0 452.938 4.831 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360739622 1065771371 /nfs/dbraw/zinc/77/13/71/1065771371.db2.gz YVZXPONUHHYQTK-OYHNWAKOSA-N 0 0 495.393 4.956 20 0 JJADRN CC(=O)c1c(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1C ZINC001438952420 1065771379 /nfs/dbraw/zinc/77/13/79/1065771379.db2.gz ZELRHIWFSIDDAN-UHFFFAOYSA-N 0 0 456.608 4.669 20 0 JJADRN CN(Cc1cscc1Br)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001438951241 1065771443 /nfs/dbraw/zinc/77/14/43/1065771443.db2.gz XKZZQZJCNBEJEI-UHFFFAOYSA-N 0 0 458.790 4.965 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CCCS1 ZINC001360739846 1065771838 /nfs/dbraw/zinc/77/18/38/1065771838.db2.gz XUAUTKBYLVVANP-RDTXWAMCSA-N 0 0 498.550 4.842 20 0 JJADRN C=C/C=C/CCNC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001438970885 1065772598 /nfs/dbraw/zinc/77/25/98/1065772598.db2.gz DZCULZJEMDMMQJ-ITKZLYELSA-N 0 0 456.711 4.509 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC001438973968 1065772892 /nfs/dbraw/zinc/77/28/92/1065772892.db2.gz VSFIIVLMPPKOIO-OAHLLOKOSA-N 0 0 452.295 4.907 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)Cc1ccc(I)cc1 ZINC001438975273 1065773715 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Cc1ccc(N(C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439118373 1065789539 /nfs/dbraw/zinc/78/95/39/1065789539.db2.gz SXAKHHXXGHZCIU-VKRLORBYSA-N 0 0 451.991 4.686 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC001439118284 1065789694 /nfs/dbraw/zinc/78/96/94/1065789694.db2.gz QSPGEUJEIXPKJD-IBGZPJMESA-N 0 0 451.350 4.882 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Br)c(OC(F)(F)F)c1)CC2 ZINC001439118299 1065789768 /nfs/dbraw/zinc/78/97/68/1065789768.db2.gz KQLKQCGJXYTAHQ-UHFFFAOYSA-N 0 0 457.246 4.505 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)(C(F)(F)F)CC1 ZINC001439121922 1065790066 /nfs/dbraw/zinc/79/00/66/1065790066.db2.gz AALKMWZJVWZTAS-VGOFRKELSA-N 0 0 459.574 4.993 20 0 JJADRN Cc1cc(OCC(=O)NCC2(c3ccc(Br)cc3)CC2)ccc1Br ZINC001439120179 1065790166 /nfs/dbraw/zinc/79/01/66/1065790166.db2.gz XXOOJRSYLHYPJM-UHFFFAOYSA-N 0 0 453.174 4.747 20 0 JJADRN Cc1cc(C(F)(F)F)cc(C)c1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC001439118917 1065790231 /nfs/dbraw/zinc/79/02/31/1065790231.db2.gz PMCINPSHEAUUCR-UHFFFAOYSA-N 0 0 459.394 4.967 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360748606 1065790396 /nfs/dbraw/zinc/79/03/96/1065790396.db2.gz CJYYWOOPZIYVMI-PFRQMTDMSA-N 0 0 477.556 4.533 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CC1CCC(F)(F)CC1 ZINC001360749182 1065791548 /nfs/dbraw/zinc/79/15/48/1065791548.db2.gz LUJOKTJKQWMTTA-INIZCTEOSA-N 0 0 452.521 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001439146089 1065792386 /nfs/dbraw/zinc/79/23/86/1065792386.db2.gz YYBYFGAGZNAPLV-RGDDUWESSA-N 0 0 452.395 4.863 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCc3ccc4c(c3)C[C@H](C)O4)cc2Br)on1 ZINC001439143880 1065792456 /nfs/dbraw/zinc/79/24/56/1065792456.db2.gz YJQLTVIMQOXBHJ-AWEZNQCLSA-N 0 0 457.324 4.578 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360749652 1065792545 /nfs/dbraw/zinc/79/25/45/1065792545.db2.gz PBSSZTFJGVILCN-YAJHFMINSA-N 0 0 469.527 4.847 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001360749876 1065793269 /nfs/dbraw/zinc/79/32/69/1065793269.db2.gz IRDMHGMJEZCNTD-UWVAXJGDSA-N 0 0 479.572 4.656 20 0 JJADRN CN(C)[C@H](CCNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(F)(F)F ZINC001439159952 1065793423 /nfs/dbraw/zinc/79/34/23/1065793423.db2.gz LPQPJMWAIAIIJH-MSOLQXFVSA-N 0 0 459.306 4.568 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1 ZINC001360749903 1065793543 /nfs/dbraw/zinc/79/35/43/1065793543.db2.gz IZAWSBYAFLHFOG-QGZVKYPTSA-N 0 0 491.583 4.799 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001360750228 1065794227 /nfs/dbraw/zinc/79/42/27/1065794227.db2.gz UWNPAXIWFWDAQP-IBGZPJMESA-N 0 0 488.652 4.870 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS1 ZINC001360750166 1065794276 /nfs/dbraw/zinc/79/42/76/1065794276.db2.gz LCQDWWQOEGFIME-IMFGXOCKSA-N 0 0 491.633 4.556 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001439174275 1065794442 /nfs/dbraw/zinc/79/44/42/1065794442.db2.gz DQUGMABTXFGUSW-OALUTQOASA-N 0 0 455.860 4.566 20 0 JJADRN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001439172018 1065794456 /nfs/dbraw/zinc/79/44/56/1065794456.db2.gz CCUNFGGXPJCTKG-XJKSGUPXSA-N 0 0 459.262 4.866 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001439172239 1065794563 /nfs/dbraw/zinc/79/45/63/1065794563.db2.gz AGGBNXYRANKWLQ-UHFFFAOYSA-N 0 0 454.246 4.799 20 0 JJADRN Cc1c(NC(=O)[C@H]2CCOC3(CCC3)C2)cc(I)cc1C(F)(F)F ZINC001439179397 1065794919 /nfs/dbraw/zinc/79/49/19/1065794919.db2.gz BNSNIJOEXFCQIS-NSHDSACASA-N 0 0 453.242 4.906 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360750428 1065795125 /nfs/dbraw/zinc/79/51/25/1065795125.db2.gz MQNJRTPWTGDVHD-SFHVURJKSA-N 0 0 489.661 4.538 20 0 JJADRN Cc1ccn([C@H](C)CC(=O)Nc2cc(I)cc(C(F)(F)F)c2C)n1 ZINC001439179950 1065795482 /nfs/dbraw/zinc/79/54/82/1065795482.db2.gz KNYFHOGFPOPPLM-SNVBAGLBSA-N 0 0 451.230 4.713 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC[C@@H]3CC[C@@H](C(F)(F)F)O3)nn2-c2ccccc2)cc1 ZINC001439180300 1065795647 /nfs/dbraw/zinc/79/56/47/1065795647.db2.gz PYMFBOZGYRPIRH-UGKGYDQZSA-N 0 0 459.468 4.778 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC[C@H]3CC[C@H](C(F)(F)F)O3)nn2-c2ccccc2)cc1 ZINC001439180286 1065795666 /nfs/dbraw/zinc/79/56/66/1065795666.db2.gz PYMFBOZGYRPIRH-DENIHFKCSA-N 0 0 459.468 4.778 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@]1(C)CCCS1 ZINC001360750755 1065795807 /nfs/dbraw/zinc/79/58/07/1065795807.db2.gz ZZLYIZJKFUGVGB-HRAATJIYSA-N 0 0 487.567 4.527 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H](C)NC(=O)OC(C)(C)C ZINC001439185109 1065796053 /nfs/dbraw/zinc/79/60/53/1065796053.db2.gz ZMGMGAZNISGXGZ-QBIMZIAESA-N 0 0 455.393 4.574 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001439193290 1065796392 /nfs/dbraw/zinc/79/63/92/1065796392.db2.gz BUEDILNHURLFBH-QFQXNSOFSA-N 0 0 450.529 4.817 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3nc4c(cccc4Br)[nH]3)cc2)c1 ZINC001439192284 1065796497 /nfs/dbraw/zinc/79/64/97/1065796497.db2.gz OJCTYKLKTCBFOB-UHFFFAOYSA-N 0 0 450.292 4.817 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CCOc1ncccc1F ZINC001360751064 1065796630 /nfs/dbraw/zinc/79/66/30/1065796630.db2.gz UOLCVPOUHLEVQY-MRXNPFEDSA-N 0 0 475.565 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360751017 1065796736 /nfs/dbraw/zinc/79/67/36/1065796736.db2.gz TVUNOCNZXIRHMN-BBWFWOEESA-N 0 0 473.618 4.973 20 0 JJADRN C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)c2cccn(CC(F)(F)F)c2=O)C1 ZINC001439200788 1065797527 /nfs/dbraw/zinc/79/75/27/1065797527.db2.gz MAZLUJDUKQFGPN-SNVBAGLBSA-N 0 0 452.782 4.922 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC001439204103 1065797856 /nfs/dbraw/zinc/79/78/56/1065797856.db2.gz MXFVNIAKTCOORC-UHFFFAOYSA-N 0 0 455.986 4.994 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001439204198 1065797924 /nfs/dbraw/zinc/79/79/24/1065797924.db2.gz UOLFUHDWYFAXGU-CXAGYDPISA-N 0 0 450.288 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2ccc(C(C)(C)C)cc2)CC2(CCOCC2)C1 ZINC001439202753 1065797978 /nfs/dbraw/zinc/79/79/78/1065797978.db2.gz VEBGHVACIKXSRU-JOCHJYFZSA-N 0 0 458.643 4.839 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001439204369 1065798045 /nfs/dbraw/zinc/79/80/45/1065798045.db2.gz VEVKSESWMAKVSH-CXAGYDPISA-N 0 0 450.288 4.565 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(Br)cc3)c2)n1 ZINC001360752744 1065798333 /nfs/dbraw/zinc/79/83/33/1065798333.db2.gz TWRMYAJZMNSDHX-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(C)c(Cl)cc1I ZINC001360752853 1065798347 /nfs/dbraw/zinc/79/83/47/1065798347.db2.gz STYVQUBGPVRLDJ-PKOBYXMFSA-N 0 0 455.723 4.722 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(C)c(Cl)cc1I ZINC001360752848 1065798357 /nfs/dbraw/zinc/79/83/57/1065798357.db2.gz STYVQUBGPVRLDJ-HKUYNNGSSA-N 0 0 455.723 4.722 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC001439205146 1065798558 /nfs/dbraw/zinc/79/85/58/1065798558.db2.gz VNNQWTPSASWPHU-YADARESESA-N 0 0 457.526 4.691 20 0 JJADRN COC(=O)c1cc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(Cl)cc1NC(C)=O ZINC001439206164 1065798796 /nfs/dbraw/zinc/79/87/96/1065798796.db2.gz YRSCBGBPZOSGEX-UHFFFAOYSA-N 0 0 458.942 4.978 20 0 JJADRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001360752975 1065798878 /nfs/dbraw/zinc/79/88/78/1065798878.db2.gz WHMDJYCIKYKGND-PMACEKPBSA-N 0 0 450.505 4.876 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccco2)n1C[C@@](C)(O)c1ccco1 ZINC001360753262 1065798996 /nfs/dbraw/zinc/79/89/96/1065798996.db2.gz ABAPHKQYQFBCAM-WAIKUNEKSA-N 0 0 456.930 4.802 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CCN1CCOC[C@H]1C ZINC001360753408 1065799298 /nfs/dbraw/zinc/79/92/98/1065799298.db2.gz CHGCIRNBGBHQFD-RTBURBONSA-N 0 0 462.038 4.561 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC001439213840 1065799342 /nfs/dbraw/zinc/79/93/42/1065799342.db2.gz CJWXRFFXZJIKAF-DJJJIMSYSA-N 0 0 451.304 4.532 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC001439213850 1065799412 /nfs/dbraw/zinc/79/94/12/1065799412.db2.gz CJWXRFFXZJIKAF-YJYMSZOUSA-N 0 0 451.304 4.532 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c(C)c2c1 ZINC001439214913 1065799493 /nfs/dbraw/zinc/79/94/93/1065799493.db2.gz SUPUFSYHZOXCLK-OXQOHEQNSA-N 0 0 456.583 4.886 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001439215693 1065799887 /nfs/dbraw/zinc/79/98/87/1065799887.db2.gz BYLPZAVDMRSGBT-ZAEZVXHUSA-N 0 0 465.432 4.736 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC001439220732 1065800751 /nfs/dbraw/zinc/80/07/51/1065800751.db2.gz UBUCACUOHFBMTK-MHECFPHRSA-N 0 0 454.592 4.535 20 0 JJADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCC1(C)C ZINC001360753828 1065801304 /nfs/dbraw/zinc/80/13/04/1065801304.db2.gz JPQYAVHGXZEZQN-FGTMMUONSA-N 0 0 483.078 4.767 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360753997 1065802158 /nfs/dbraw/zinc/80/21/58/1065802158.db2.gz MHSGPRMZETZHHH-IVZQSRNASA-N 0 0 481.428 4.502 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001439231192 1065802466 /nfs/dbraw/zinc/80/24/66/1065802466.db2.gz GCJIAVCDMKJSPQ-GSHUGGBRSA-N 0 0 452.551 4.653 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1 ZINC001360754024 1065802424 /nfs/dbraw/zinc/80/24/24/1065802424.db2.gz NBYOZRJXCSRDIT-NVXWUHKLSA-N 0 0 459.978 4.630 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCSC2)n1CCCOC(F)(F)F ZINC001360754131 1065802721 /nfs/dbraw/zinc/80/27/21/1065802721.db2.gz ORTRSPGNJASCJY-UKRRQHHQSA-N 0 0 464.941 4.940 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001439234909 1065803135 /nfs/dbraw/zinc/80/31/35/1065803135.db2.gz CKNIAXXLFXFJME-ZJSXRUAMSA-N 0 0 454.542 4.841 20 0 JJADRN CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC1 ZINC001439240340 1065803164 /nfs/dbraw/zinc/80/31/64/1065803164.db2.gz ZYIYWSGNCAMURM-UHFFFAOYSA-N 0 0 450.988 4.503 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cnccc3-c3ccc(N(C)C)cc3)C2)c1 ZINC001439241305 1065803855 /nfs/dbraw/zinc/80/38/55/1065803855.db2.gz POLSNYJCHRTYSI-QFIPXVFZSA-N 0 0 456.590 4.922 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O ZINC001360754445 1065804901 /nfs/dbraw/zinc/80/49/01/1065804901.db2.gz UUADNEIQWOUEFZ-QFBILLFUSA-N 0 0 469.051 4.521 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC001439260147 1065805094 /nfs/dbraw/zinc/80/50/94/1065805094.db2.gz YPPVVJVAUAQDNN-UHFFFAOYSA-N 0 0 457.715 4.873 20 0 JJADRN CCN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439254930 1065805296 /nfs/dbraw/zinc/80/52/96/1065805296.db2.gz YLNOFXSCWXODHK-CYBMUJFWSA-N 0 0 451.778 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(N3CCCCCC3)cc2)C1 ZINC001439262923 1065805662 /nfs/dbraw/zinc/80/56/62/1065805662.db2.gz GJURDTFUUVJSHV-LJQANCHMSA-N 0 0 451.558 4.689 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1Cl ZINC001439264576 1065805907 /nfs/dbraw/zinc/80/59/07/1065805907.db2.gz VRZGPQPYHMDTHV-IBGZPJMESA-N 0 0 453.853 4.972 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cs1 ZINC001439268333 1065806593 /nfs/dbraw/zinc/80/65/93/1065806593.db2.gz BFUBBGAEBRWVGD-QZTJIDSGSA-N 0 0 461.509 4.611 20 0 JJADRN Cc1ccc(N(CC2CC2)C(=O)c2cnn(-c3ccccc3)c2I)cc1 ZINC001439269459 1065806696 /nfs/dbraw/zinc/80/66/96/1065806696.db2.gz ALQFNOFFCIHPPX-UHFFFAOYSA-N 0 0 457.315 4.842 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)CC1=O ZINC001439269347 1065806721 /nfs/dbraw/zinc/80/67/21/1065806721.db2.gz AMKOBBFPBJJCKS-DOTOQJQBSA-N 0 0 450.489 4.927 20 0 JJADRN O=C(CCc1ccccc1Br)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439269030 1065806841 /nfs/dbraw/zinc/80/68/41/1065806841.db2.gz GFKBOEFHXHPTOT-IEBWSBKVSA-N 0 0 455.318 4.561 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439268806 1065806884 /nfs/dbraw/zinc/80/68/84/1065806884.db2.gz DQMJTACPIJUQFG-BMGDILEWSA-N 0 0 460.418 4.652 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001439269468 1065806938 /nfs/dbraw/zinc/80/69/38/1065806938.db2.gz YLJHZARTRWJKJE-KRWDZBQOSA-N 0 0 454.583 4.958 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270897 1065807455 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AZRZCQQPODQTCJ-NSHDSACASA-N 0 0 457.474 4.718 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)c(F)c(F)c1F ZINC001439455518 1065830665 /nfs/dbraw/zinc/83/06/65/1065830665.db2.gz FCXQECGORKZYSB-UHFFFAOYSA-N 0 0 459.465 4.789 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC(F)(F)F ZINC001360760194 1065831149 /nfs/dbraw/zinc/83/11/49/1065831149.db2.gz IPWUKCMFVLMDTL-HOCLYGCPSA-N 0 0 458.912 4.887 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CCCN(C)CC(F)(F)F ZINC001360760235 1065831232 /nfs/dbraw/zinc/83/12/32/1065831232.db2.gz IZNYLXFWFNVOJU-MRXNPFEDSA-N 0 0 489.970 4.571 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCc1ccc(Cl)s1 ZINC001360760290 1065831959 /nfs/dbraw/zinc/83/19/59/1065831959.db2.gz JSMQKVUHWRQWIZ-CABCVRRESA-N 0 0 494.448 4.696 20 0 JJADRN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC001439469545 1065832301 /nfs/dbraw/zinc/83/23/01/1065832301.db2.gz WOGXEJMSXIFIBQ-UHFFFAOYSA-N 0 0 452.319 4.622 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC1CC1 ZINC001360760579 1065832461 /nfs/dbraw/zinc/83/24/61/1065832461.db2.gz PCUNZLUUUFFCOZ-LSDHHAIUSA-N 0 0 457.928 4.554 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCOCC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360760531 1065832573 /nfs/dbraw/zinc/83/25/73/1065832573.db2.gz ODNPXOIOCRYERT-OAHLLOKOSA-N 0 0 481.906 4.760 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCCCC[C@H]3C(F)(F)F)cc2)c1C ZINC001439484827 1065833318 /nfs/dbraw/zinc/83/33/18/1065833318.db2.gz LCXPYLBZLZGPRY-FQEVSTJZSA-N 0 0 451.489 4.542 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360760678 1065833159 /nfs/dbraw/zinc/83/31/59/1065833159.db2.gz RBGIGOHSKIGEDW-YRBFXIGRSA-N 0 0 475.918 4.675 20 0 JJADRN O=C(Nc1cc(Br)ccc1C1=NCCO1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001439493404 1065833798 /nfs/dbraw/zinc/83/37/98/1065833798.db2.gz PDFCVRYJENWISD-UHFFFAOYSA-N 0 0 457.715 4.589 20 0 JJADRN 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ZINC001439506817 1065836910 /nfs/dbraw/zinc/83/69/10/1065836910.db2.gz ACHKHQHCYIJYBN-UHFFFAOYSA-N 0 0 454.523 4.729 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC3(CCCCC3)C2)n1CCSCCCO ZINC001360761177 1065836955 /nfs/dbraw/zinc/83/69/55/1065836955.db2.gz ZZJRCXJEQLTQBZ-LJQANCHMSA-N 0 0 495.089 4.727 20 0 JJADRN Cc1cnc2nc(C(=O)Nc3ccc(Br)c(OCCC4CCCCC4)c3)nn2c1 ZINC001439530505 1065838396 /nfs/dbraw/zinc/83/83/96/1065838396.db2.gz RSMIMQBPHUWMNO-UHFFFAOYSA-N 0 0 458.360 4.797 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@@H]2C)n1C[C@@](C)(O)c1cccs1 ZINC001360762424 1065838620 /nfs/dbraw/zinc/83/86/20/1065838620.db2.gz FRVDNYKRPSACDE-PONJGIIJSA-N 0 0 479.071 4.982 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1cnn(C)c1 ZINC001360762438 1065838777 /nfs/dbraw/zinc/83/87/77/1065838777.db2.gz FUQHTBTUHWZYIO-OWCLPIDISA-N 0 0 464.948 4.581 20 0 JJADRN CC(C)[C@@H](C(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21)n1nnc(-c2ccccc2)n1 ZINC001439538327 1065839011 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FQTMOSDQYUHWBA-QGZVFWFLSA-N 0 0 459.468 4.890 20 0 JJADRN CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001439547567 1065839832 /nfs/dbraw/zinc/83/98/32/1065839832.db2.gz TZFOVMRWKJWJJK-HSZRJFAPSA-N 0 0 456.583 4.656 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC1CCOCC1 ZINC001360762641 1065840125 /nfs/dbraw/zinc/84/01/25/1065840125.db2.gz JBRFKKCZZNIHLI-YESZJQIVSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@@]1(O)CCCC1(C)C ZINC001360762743 1065840639 /nfs/dbraw/zinc/84/06/39/1065840639.db2.gz KWPULQSULULTNK-ZHRRBRCNSA-N 0 0 451.036 4.566 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)c1 ZINC001439554766 1065841017 /nfs/dbraw/zinc/84/10/17/1065841017.db2.gz OOLZMMFDMGUJOC-NRFANRHFSA-N 0 0 458.530 4.914 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C)c1cccnc1 ZINC001360762789 1065841329 /nfs/dbraw/zinc/84/13/29/1065841329.db2.gz LGLBOCMMDJLMGU-FPOVZHCZSA-N 0 0 496.631 4.743 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccc(Br)c(Cl)c1 ZINC001439568745 1065841938 /nfs/dbraw/zinc/84/19/38/1065841938.db2.gz DPGDSYGHYVAPEB-CRAIPNDOSA-N 0 0 454.723 4.692 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@](C)(O)c1cccs1 ZINC001360763012 1065842120 /nfs/dbraw/zinc/84/21/20/1065842120.db2.gz OOCCOQVCRSBRAB-BMCPXHGSSA-N 0 0 477.030 4.654 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccn(C(CC)CC)n1)c1ccc(Br)c(Cl)c1 ZINC001439575845 1065842406 /nfs/dbraw/zinc/84/24/06/1065842406.db2.gz OAADFPMSVADHIW-QGZVFWFLSA-N 0 0 456.768 4.694 20 0 JJADRN C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001439577291 1065842524 /nfs/dbraw/zinc/84/25/24/1065842524.db2.gz YSYLXJAHXKRVLF-CQSZACIVSA-N 0 0 458.432 4.935 20 0 JJADRN O=C(COc1ccc(Oc2ccccc2)cc1)NC1(c2ncc(Br)cn2)CCC1 ZINC001439577482 1065842686 /nfs/dbraw/zinc/84/26/86/1065842686.db2.gz ZLKDPKPXBWAEIA-UHFFFAOYSA-N 0 0 454.324 4.606 20 0 JJADRN 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CS(=O)(=O)c1ccsc1NC(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001360763797 1065844494 /nfs/dbraw/zinc/84/44/94/1065844494.db2.gz DTBVURWLLIWJPM-UHFFFAOYSA-N 0 0 456.305 4.504 20 0 JJADRN CN1c2cc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cc3)ccc2OCC(C)(C)C1=O ZINC001439585972 1065844840 /nfs/dbraw/zinc/84/48/40/1065844840.db2.gz INYRREVCXZBAOE-UHFFFAOYSA-N 0 0 450.457 4.883 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H]1CCC(F)(F)C1 ZINC001360764717 1065845492 /nfs/dbraw/zinc/84/54/92/1065845492.db2.gz DSAQLAHDWHHKHC-IRXDYDNUSA-N 0 0 482.547 4.828 20 0 JJADRN CO[C@@](C)(C(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1F ZINC001439587968 1065845481 /nfs/dbraw/zinc/84/54/81/1065845481.db2.gz VCRPXIIAKYWFQW-WXTAPIANSA-N 0 0 456.558 4.808 20 0 JJADRN CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC001439594474 1065846607 /nfs/dbraw/zinc/84/66/07/1065846607.db2.gz GVRPXPBUXSGFDA-UHFFFAOYSA-N 0 0 450.276 4.822 20 0 JJADRN COCCCOc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)cc1 ZINC001439607390 1065846853 /nfs/dbraw/zinc/84/68/53/1065846853.db2.gz DBRYDWKJXZQOLF-UHFFFAOYSA-N 0 0 451.473 4.625 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc(Br)cc1C(F)(F)F ZINC001439599532 1065846892 /nfs/dbraw/zinc/84/68/92/1065846892.db2.gz WGQQORPEIFMYMH-LLVKDONJSA-N 0 0 459.237 4.907 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccs2)n1Cc1ncccc1N(C)C ZINC001360764904 1065846717 /nfs/dbraw/zinc/84/67/17/1065846717.db2.gz HHOWVYHTMCGQNJ-KRWDZBQOSA-N 0 0 466.586 4.764 20 0 JJADRN COC[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC)C(C)C ZINC001439608892 1065847832 /nfs/dbraw/zinc/84/78/32/1065847832.db2.gz IAEPSGBZNJUPOJ-VAPDBKPJSA-N 0 0 452.595 4.523 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1 ZINC001360764982 1065847735 /nfs/dbraw/zinc/84/77/35/1065847735.db2.gz IXCXMQREISTNAG-INIZCTEOSA-N 0 0 485.995 4.978 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H]1CCSC1(C)C ZINC001360765060 1065848235 /nfs/dbraw/zinc/84/82/35/1065848235.db2.gz KKYHCYSVFSQVOH-IPMKNSEASA-N 0 0 462.635 4.952 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CCCN1CCCCC1=O ZINC001360765263 1065848434 /nfs/dbraw/zinc/84/84/34/1065848434.db2.gz NYVVQFMNQBOEEA-HXUWFJFHSA-N 0 0 471.621 4.976 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCc1ccccn1 ZINC001360765037 1065848449 /nfs/dbraw/zinc/84/84/49/1065848449.db2.gz KEKJXXGQKLRIND-QGZVFWFLSA-N 0 0 466.948 4.880 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C ZINC001360765061 1065848459 /nfs/dbraw/zinc/84/84/59/1065848459.db2.gz KKYHCYSVFSQVOH-OTWHNJEPSA-N 0 0 462.635 4.952 20 0 JJADRN C[C@@H](CC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1cnn(C)c1 ZINC001439627838 1065849909 /nfs/dbraw/zinc/84/99/09/1065849909.db2.gz NVJJNIHDYJDOSX-AWEZNQCLSA-N 0 0 459.447 4.703 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439635878 1065851156 /nfs/dbraw/zinc/85/11/56/1065851156.db2.gz DKVXASXRLCWOOB-AWEZNQCLSA-N 0 0 453.905 4.752 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c(C)c1 ZINC001439638023 1065851410 /nfs/dbraw/zinc/85/14/10/1065851410.db2.gz MMVXBOIOXACZIJ-SJLPKXTDSA-N 0 0 452.942 4.546 20 0 JJADRN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001439638660 1065851668 /nfs/dbraw/zinc/85/16/68/1065851668.db2.gz PGAZDPKYYUCCDG-UHFFFAOYSA-N 0 0 452.686 4.765 20 0 JJADRN CCC(=O)N1CCc2ccc(NC(=O)c3cc(Br)sc3Br)cc21 ZINC001439645814 1065852991 /nfs/dbraw/zinc/85/29/91/1065852991.db2.gz SXWWRZIVBMEHPG-UHFFFAOYSA-N 0 0 458.175 4.825 20 0 JJADRN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001439659711 1065853892 /nfs/dbraw/zinc/85/38/92/1065853892.db2.gz NFQBDHOUQVAQSO-QGZVFWFLSA-N 0 0 456.420 4.885 20 0 JJADRN Cn1cc(Br)c(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1=O ZINC001439666414 1065854242 /nfs/dbraw/zinc/85/42/42/1065854242.db2.gz HXVJVNCDYZQUTO-UHFFFAOYSA-N 0 0 458.259 4.542 20 0 JJADRN C[S@](=O)(=NC(=O)c1cc(Cl)ccc1I)c1cccc(Cl)c1 ZINC001439670942 1065854325 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TZRQYJLPNJHCQU-ABSDTBQOSA-N 0 0 473.593 4.707 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([C@@H](C)CC(N)=O)cc2)c1 ZINC001439691077 1065858602 /nfs/dbraw/zinc/85/86/02/1065858602.db2.gz FQAIQKOWUGJAOO-SFHVURJKSA-N 0 0 454.530 4.779 20 0 JJADRN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001439692817 1065858615 /nfs/dbraw/zinc/85/86/15/1065858615.db2.gz JWNPDEDLJNBUQS-BJKOFHAPSA-N 0 0 451.613 4.908 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc([C@H](C)CC(N)=O)cc1 ZINC001439695670 1065859365 /nfs/dbraw/zinc/85/93/65/1065859365.db2.gz VUFUVPSITDSIKO-CYBMUJFWSA-N 0 0 456.340 4.898 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c(C)c1Br ZINC001439696337 1065859489 /nfs/dbraw/zinc/85/94/89/1065859489.db2.gz RQUOLXZLYITYKO-ZHRRBRCNSA-N 0 0 451.405 4.975 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769030 1065859693 /nfs/dbraw/zinc/85/96/93/1065859693.db2.gz CJRWOMCWERANPC-IBVKSMDESA-N 0 0 473.637 4.685 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001439699165 1065860105 /nfs/dbraw/zinc/86/01/05/1065860105.db2.gz BMQLOAZRXCPNIB-TZIWHRDSSA-N 0 0 453.926 4.916 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)CCC1 ZINC001439699397 1065860550 /nfs/dbraw/zinc/86/05/50/1065860550.db2.gz BQTRWRDUFSWONF-OAQYLSRUSA-N 0 0 456.562 4.701 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)cc1 ZINC001439699912 1065860607 /nfs/dbraw/zinc/86/06/07/1065860607.db2.gz BEHOIKSYDWQLTB-UHFFFAOYSA-N 0 0 459.521 4.666 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)ccc1Br ZINC001439699781 1065860768 /nfs/dbraw/zinc/86/07/68/1065860768.db2.gz ADKODAULOLUDHO-QGZVFWFLSA-N 0 0 455.393 4.612 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCOc1ncccc1Cl ZINC001360769184 1065861042 /nfs/dbraw/zinc/86/10/42/1065861042.db2.gz FLQOTWPTZRKRNO-ULQDDVLXSA-N 0 0 459.953 4.919 20 0 JJADRN CN(Cc1c(OCc2ccccc2)ccc2ccccc21)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC001439700726 1065861191 /nfs/dbraw/zinc/86/11/91/1065861191.db2.gz FIWYXFLZQZGIFV-UHFFFAOYSA-N 0 0 459.933 4.838 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360769438 1065861826 /nfs/dbraw/zinc/86/18/26/1065861826.db2.gz ISNMKNUZZYBRMJ-QRVBRYPASA-N 0 0 487.620 4.906 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cs2)cc1 ZINC001439703609 1065862091 /nfs/dbraw/zinc/86/20/91/1065862091.db2.gz TVJSLKTZZLAGPS-IBGZPJMESA-N 0 0 459.612 4.974 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3cccc(N=S(C)(C)=O)c3)n2c1 ZINC001439707846 1065862320 /nfs/dbraw/zinc/86/23/20/1065862320.db2.gz RLWVKGXRJCIXTM-UHFFFAOYSA-N 0 0 450.539 4.738 20 0 JJADRN COc1cccc2c1OCC(C(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)=C2 ZINC001439706805 1065862518 /nfs/dbraw/zinc/86/25/18/1065862518.db2.gz QCNKLWHHQNDWBY-NRFANRHFSA-N 0 0 456.583 4.547 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1CCCC1CCOCC1 ZINC001360769972 1065864160 /nfs/dbraw/zinc/86/41/60/1065864160.db2.gz QYMRUEJIEVEXDU-KRWDZBQOSA-N 0 0 452.521 5.000 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2CC2)CC1 ZINC001360769959 1065864176 /nfs/dbraw/zinc/86/41/76/1065864176.db2.gz QOLOQEUWOHVOLM-RTBURBONSA-N 0 0 471.621 4.734 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)NCCc1cc(Br)ccc1SC ZINC001439727596 1065864644 /nfs/dbraw/zinc/86/46/44/1065864644.db2.gz KOOUQHIPQDQEBA-UHFFFAOYSA-N 0 0 458.805 4.822 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2cccc(Cl)c2OC)[C@H]1c1ccccc1OC ZINC001439728407 1065864689 /nfs/dbraw/zinc/86/46/89/1065864689.db2.gz WHPGIHHXBBVNIQ-WMZHIEFXSA-N 0 0 458.986 4.753 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCSC(F)(F)F ZINC001360770057 1065864717 /nfs/dbraw/zinc/86/47/17/1065864717.db2.gz SFDAYYSSOIFNJA-OAHLLOKOSA-N 0 0 498.550 4.928 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC001439731586 1065865841 /nfs/dbraw/zinc/86/58/41/1065865841.db2.gz DJHHWNPBPVURSL-QFBILLFUSA-N 0 0 457.396 4.962 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCN1CCCCC1=O ZINC001360770388 1065866889 /nfs/dbraw/zinc/86/68/89/1065866889.db2.gz YBAHWAPCGWBELS-WOJBJXKFSA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439734067 1065867197 /nfs/dbraw/zinc/86/71/97/1065867197.db2.gz JDFFWRLXAFXMOQ-GOSISDBHSA-N 0 0 450.913 4.640 20 0 JJADRN O=C(CCSc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001360771138 1065868026 /nfs/dbraw/zinc/86/80/26/1065868026.db2.gz UDZXUHSPDZGJKW-HSZRJFAPSA-N 0 0 453.007 4.866 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC001360771540 1065868120 /nfs/dbraw/zinc/86/81/20/1065868120.db2.gz BGXZVSPHRWPWMI-IIBYNOLFSA-N 0 0 459.015 4.911 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC001360771538 1065868288 /nfs/dbraw/zinc/86/82/88/1065868288.db2.gz BGXZVSPHRWPWMI-HRAATJIYSA-N 0 0 459.015 4.911 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3CC[C@H](c4nccc(C(F)(F)F)n4)C3)c(C(C)(C)C)n2)cc1 ZINC001439740135 1065868607 /nfs/dbraw/zinc/86/86/07/1065868607.db2.gz MQKPTTOGCSDOJU-INIZCTEOSA-N 0 0 457.500 4.917 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)c(C(C)(C)C)n2)cc1 ZINC001439740137 1065868667 /nfs/dbraw/zinc/86/86/67/1065868667.db2.gz MQKPTTOGCSDOJU-MRXNPFEDSA-N 0 0 457.500 4.917 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C ZINC001360771680 1065868672 /nfs/dbraw/zinc/86/86/72/1065868672.db2.gz BURTWIGTBIPWTH-PKOBYXMFSA-N 0 0 455.582 4.709 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001360771697 1065868943 /nfs/dbraw/zinc/86/89/43/1065868943.db2.gz BZNHFIUGOQDGJI-RBUKOAKNSA-N 0 0 489.636 4.503 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC(=O)NCC(F)(F)F ZINC001360771700 1065868999 /nfs/dbraw/zinc/86/89/99/1065868999.db2.gz BZVPLGPOLYBLCQ-GOEBONIOSA-N 0 0 497.518 4.639 20 0 JJADRN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001439746022 1065869520 /nfs/dbraw/zinc/86/95/20/1065869520.db2.gz PEZBTTGGOJHMQN-SJORKVTESA-N 0 0 451.748 4.977 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360771885 1065869387 /nfs/dbraw/zinc/86/93/87/1065869387.db2.gz DNFSGHZMECSRIG-DGUDUIIESA-N 0 0 474.621 4.892 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001439750196 1065870124 /nfs/dbraw/zinc/87/01/24/1065870124.db2.gz PZCQREAYCLIJSD-KRWDZBQOSA-N 0 0 450.760 4.650 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 ZINC001439749887 1065870190 /nfs/dbraw/zinc/87/01/90/1065870190.db2.gz SVBZXUNRWRYVAG-ZRBLBEILSA-N 0 0 470.610 4.560 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC001439749483 1065870373 /nfs/dbraw/zinc/87/03/73/1065870373.db2.gz YVYBHOFZXINAMW-GVFCZYSGSA-N 0 0 456.608 4.767 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC1(F)CCC1 ZINC001360772530 1065870357 /nfs/dbraw/zinc/87/03/57/1065870357.db2.gz IIYUORRQWSDLOF-OAHLLOKOSA-N 0 0 474.474 4.733 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)cc1OC(F)F ZINC001439758437 1065871953 /nfs/dbraw/zinc/87/19/53/1065871953.db2.gz RDOGSYBHRJJRFW-UHFFFAOYSA-N 0 0 451.857 4.775 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001439761982 1065872311 /nfs/dbraw/zinc/87/23/11/1065872311.db2.gz ZYPOOTZAGLTDKO-DUQGCJEPSA-N 0 0 459.011 4.833 20 0 JJADRN O=C([C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001439759746 1065872398 /nfs/dbraw/zinc/87/23/98/1065872398.db2.gz NAYHWQHDNLZHKU-USXIJHARSA-N 0 0 450.295 4.567 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(COC(C)(C)C)c3)cc2)C1 ZINC001439770804 1065873026 /nfs/dbraw/zinc/87/30/26/1065873026.db2.gz KPDJDKYQVOMMTD-KDURUIRLSA-N 0 0 458.624 4.921 20 0 JJADRN CC(C)COc1cc(NC(=O)COc2ccc(Br)cn2)ccc1Br ZINC001439770726 1065873034 /nfs/dbraw/zinc/87/30/34/1065873034.db2.gz IPMQJYWJOWYJMI-UHFFFAOYSA-N 0 0 458.150 4.659 20 0 JJADRN COc1ccc(COCCCC(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1 ZINC001439767548 1065873066 /nfs/dbraw/zinc/87/30/66/1065873066.db2.gz BVKSHEORCJOYBR-UHFFFAOYSA-N 0 0 452.776 4.993 20 0 JJADRN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001439766563 1065873137 /nfs/dbraw/zinc/87/31/37/1065873137.db2.gz MVFRIROXCQPCTJ-UHFFFAOYSA-N 0 0 457.755 4.511 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001360774368 1065873289 /nfs/dbraw/zinc/87/32/89/1065873289.db2.gz ZELGYRCWYMHGQZ-LAUBAEHRSA-N 0 0 450.000 4.709 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Oc3ccccc3C)c2)s1 ZINC001439773361 1065873620 /nfs/dbraw/zinc/87/36/20/1065873620.db2.gz JNTXKGUAGPJBHJ-FQEVSTJZSA-N 0 0 456.589 4.949 20 0 JJADRN C[C@@H](N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCC2)CC1)C(F)(F)F ZINC001360774656 1065873832 /nfs/dbraw/zinc/87/38/32/1065873832.db2.gz SFUNQVDCLUVZGH-OTWHNJEPSA-N 0 0 481.538 4.986 20 0 JJADRN C[C@H]1Cc2cc(NC(=O)c3ccc(Br)cc3I)ccc2O1 ZINC001439773244 1065873871 /nfs/dbraw/zinc/87/38/71/1065873871.db2.gz TWYCVFIBZPWHHA-VIFPVBQESA-N 0 0 458.093 4.629 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360774533 1065874058 /nfs/dbraw/zinc/87/40/58/1065874058.db2.gz OBUQMAXOSAIYAF-MKCYZYCBSA-N 0 0 478.634 4.568 20 0 JJADRN CCOC(=O)C1([C@@H](C)NC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)CCOCC1 ZINC001439776435 1065874155 /nfs/dbraw/zinc/87/41/55/1065874155.db2.gz OFEVWXPOBBJBST-YKSBVNFPSA-N 0 0 453.579 4.795 20 0 JJADRN O=C(NC[C@@H]1CCC2(CCOCC2)O1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001439778260 1065875003 /nfs/dbraw/zinc/87/50/03/1065875003.db2.gz NUKXFOCIKKQNFH-RXVVDRJESA-N 0 0 450.362 4.958 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCCOC1 ZINC001360774902 1065875351 /nfs/dbraw/zinc/87/53/51/1065875351.db2.gz PVOVPYRXPBORFF-YESZJQIVSA-N 0 0 456.484 4.763 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360774997 1065876254 /nfs/dbraw/zinc/87/62/54/1065876254.db2.gz QGUHAPIRTGZGPT-RBUKOAKNSA-N 0 0 499.587 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)c3cc4c(cccc4Cl)s3)CC2)C1 ZINC001439787392 1065876856 /nfs/dbraw/zinc/87/68/56/1065876856.db2.gz HELRCPDZXHENES-UHFFFAOYSA-N 0 0 450.988 4.795 20 0 JJADRN Cc1cccc([C@H](NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)C(=O)OC(C)(C)C)c1 ZINC001439788867 1065877272 /nfs/dbraw/zinc/87/72/72/1065877272.db2.gz LHHYGJWANDSOEK-QFIPXVFZSA-N 0 0 453.514 4.624 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC(C)(C)C2)n1CCNC(=O)c1cccs1 ZINC001360775462 1065878196 /nfs/dbraw/zinc/87/81/96/1065878196.db2.gz VGOZKTPSBQDMCS-KRWDZBQOSA-N 0 0 471.602 4.675 20 0 JJADRN Cc1cccc([C@@H](NC(=O)c2cccnc2OCc2ccccc2F)C(=O)OC(C)(C)C)c1 ZINC001439791598 1065878117 /nfs/dbraw/zinc/87/81/17/1065878117.db2.gz TVVDVQPRDPSLCO-JOCHJYFZSA-N 0 0 450.510 4.921 20 0 JJADRN CC(C)n1c2ccc(C(=O)Nc3ccccc3S(=O)(=O)C3CC3)cc2nc1C(F)(F)F ZINC001439792293 1065878131 /nfs/dbraw/zinc/87/81/31/1065878131.db2.gz GPVNHNJIHIOWRQ-UHFFFAOYSA-N 0 0 451.470 4.824 20 0 JJADRN NC(=O)c1c(F)cc(Cl)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001439792207 1065878238 /nfs/dbraw/zinc/87/82/38/1065878238.db2.gz OMSSBYHDPPGQNG-UHFFFAOYSA-N 0 0 459.930 4.853 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001360775626 1065878692 /nfs/dbraw/zinc/87/86/92/1065878692.db2.gz WXPSFIKCULBMLS-XLIONFOSSA-N 0 0 499.553 4.589 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360775570 1065878730 /nfs/dbraw/zinc/87/87/30/1065878730.db2.gz WGVRCBMWYLITNJ-MOPGFXCFSA-N 0 0 471.621 4.879 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3ccc(I)c(Cl)c3)cn2)CC1 ZINC001439796503 1065879343 /nfs/dbraw/zinc/87/93/43/1065879343.db2.gz CDGQXVYZQCKBGM-UHFFFAOYSA-N 0 0 455.727 4.828 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360775733 1065879263 /nfs/dbraw/zinc/87/92/63/1065879263.db2.gz YZIIIVHCLKWCID-SJORKVTESA-N 0 0 470.536 4.970 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1[C@H]1C[C@H]1C ZINC001360775685 1065879447 /nfs/dbraw/zinc/87/94/47/1065879447.db2.gz YBCDIFCXPORIEA-RMJJICAUSA-N 0 0 457.594 4.517 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1OCCC1(C)C ZINC001360775706 1065879471 /nfs/dbraw/zinc/87/94/71/1065879471.db2.gz YLJAJHLWLFLBLU-FRQCXROJSA-N 0 0 452.521 4.854 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccccc1Oc1ccccn1 ZINC001439798674 1065880057 /nfs/dbraw/zinc/88/00/57/1065880057.db2.gz XFIYZCQLSRMHDG-UHFFFAOYSA-N 0 0 455.312 4.787 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC1(F)CCC1 ZINC001360775740 1065880018 /nfs/dbraw/zinc/88/00/18/1065880018.db2.gz ZBMISNLOKGXLBG-RBUKOAKNSA-N 0 0 489.611 4.971 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001360776205 1065880066 /nfs/dbraw/zinc/88/00/66/1065880066.db2.gz JPEOLVSZUWGCHF-KRWDZBQOSA-N 0 0 452.860 4.582 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cc(OC(F)(F)F)ccc2Br)[C@H]1c1ccc(F)cc1 ZINC001439801254 1065880752 /nfs/dbraw/zinc/88/07/52/1065880752.db2.gz UMIHYZZQVXYFGF-SUMWQHHRSA-N 0 0 475.236 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)N2CCn3nc(C(C)(C)C)cc3C2)CC1 ZINC001439821373 1065882317 /nfs/dbraw/zinc/88/23/17/1065882317.db2.gz HSJZELPHIXIESU-HXUWFJFHSA-N 0 0 458.647 4.730 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC(C)(C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001360777860 1065882682 /nfs/dbraw/zinc/88/26/82/1065882682.db2.gz HBJKIAJRRWLKFD-WAIKUNEKSA-N 0 0 476.643 4.858 20 0 JJADRN COCCOCCOc1ccc(NC(=O)Cc2c(C)cccc2Cl)cc1Br ZINC001439822206 1065882886 /nfs/dbraw/zinc/88/28/86/1065882886.db2.gz KTWJBJQWVZBKEC-UHFFFAOYSA-N 0 0 456.764 4.634 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001439824606 1065883065 /nfs/dbraw/zinc/88/30/65/1065883065.db2.gz SZFPAOYLHDVLOF-OAQYLSRUSA-N 0 0 455.624 4.679 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC001439825940 1065883769 /nfs/dbraw/zinc/88/37/69/1065883769.db2.gz OESRPDWJEXIJJH-CQSZACIVSA-N 0 0 453.391 4.971 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001360778309 1065884432 /nfs/dbraw/zinc/88/44/32/1065884432.db2.gz NSDHHMIVNMHPKM-CEYNDMKZSA-N 0 0 460.594 4.624 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001360778238 1065884462 /nfs/dbraw/zinc/88/44/62/1065884462.db2.gz MLKIDQBPSFHNHR-LSDHHAIUSA-N 0 0 492.418 4.705 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCOC(F)F ZINC001360778277 1065884539 /nfs/dbraw/zinc/88/45/39/1065884539.db2.gz NGQMVBAXVMEFCE-QMHKHESXSA-N 0 0 470.536 4.828 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C2CCC2)cc1 ZINC001439837436 1065885004 /nfs/dbraw/zinc/88/50/04/1065885004.db2.gz VXRJTUSYGRGQGD-QFIPXVFZSA-N 0 0 453.539 4.743 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360778611 1065885041 /nfs/dbraw/zinc/88/50/41/1065885041.db2.gz QICNEDUFAMGMOF-HNNXBMFYSA-N 0 0 479.478 4.635 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001360779348 1065886272 /nfs/dbraw/zinc/88/62/72/1065886272.db2.gz KNHAYPZKYVDCEG-INIZCTEOSA-N 0 0 456.505 4.591 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2)n1 ZINC001439848380 1065886428 /nfs/dbraw/zinc/88/64/28/1065886428.db2.gz AYZYWTLICIRENZ-HKUYNNGSSA-N 0 0 455.942 4.939 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001439852367 1065886474 /nfs/dbraw/zinc/88/64/74/1065886474.db2.gz HHGPEONBDHLQCI-GOSISDBHSA-N 0 0 452.429 4.541 20 0 JJADRN CCc1ccc([C@@H](C)CC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001360779336 1065886452 /nfs/dbraw/zinc/88/64/52/1065886452.db2.gz KDIKQSJWZPJHCV-VQTJNVASSA-N 0 0 457.014 4.843 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 ZINC001360779226 1065886480 /nfs/dbraw/zinc/88/64/80/1065886480.db2.gz VMDBYAUMOJWGKP-ZWKOTPCHSA-N 0 0 491.583 4.943 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)c(Cl)c1 ZINC001360779373 1065886862 /nfs/dbraw/zinc/88/68/62/1065886862.db2.gz KYIOAKMEABRTHR-SFHVURJKSA-N 0 0 452.938 4.660 20 0 JJADRN CC[C@H](Cc1ccccc1C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001360779383 1065887146 /nfs/dbraw/zinc/88/71/46/1065887146.db2.gz LDRXSJCSDMRHSC-NHCUHLMSSA-N 0 0 457.014 4.664 20 0 JJADRN Cc1c2cc(F)ccc2oc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001360779642 1065887168 /nfs/dbraw/zinc/88/71/68/1065887168.db2.gz NEYXPHFXEVWBDL-MRXNPFEDSA-N 0 0 458.917 4.594 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)C2)n1 ZINC001439859122 1065887180 /nfs/dbraw/zinc/88/71/80/1065887180.db2.gz LLUOVDLLCWIHHJ-CJNGLKHVSA-N 0 0 457.328 4.648 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)c1ccc(C(F)(F)F)cc1 ZINC001439862151 1065887201 /nfs/dbraw/zinc/88/72/01/1065887201.db2.gz ZOEIMLJYRYNZIH-KRWDZBQOSA-N 0 0 456.779 4.797 20 0 JJADRN C[C@@H](OCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccccc1 ZINC001360779786 1065887713 /nfs/dbraw/zinc/88/77/13/1065887713.db2.gz AWKGEBGUPUCIJP-OAQYLSRUSA-N 0 0 482.698 4.813 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC(=O)NC(C)(C)C ZINC001360779994 1065888352 /nfs/dbraw/zinc/88/83/52/1065888352.db2.gz DBPCICXZRDAWIZ-GAKIBJFNSA-N 0 0 457.594 4.631 20 0 JJADRN O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(Br)nn1-c1ncccc1Cl ZINC001439880934 1065888500 /nfs/dbraw/zinc/88/85/00/1065888500.db2.gz VBBQYCMMPNMGGN-HZPDHXFCSA-N 0 0 459.775 4.682 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC001360780355 1065888719 /nfs/dbraw/zinc/88/87/19/1065888719.db2.gz XJCCCRPPZIKEPG-CABCVRRESA-N 0 0 455.407 4.605 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC(=O)N(C)c2cc(C(F)(F)F)ccc21 ZINC001439891291 1065889091 /nfs/dbraw/zinc/88/90/91/1065889091.db2.gz AOPOSVUXSGHLIR-NSHDSACASA-N 0 0 451.495 4.805 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC(=O)N(C)c2cc(C(F)(F)F)ccc21 ZINC001439891290 1065889201 /nfs/dbraw/zinc/88/92/01/1065889201.db2.gz AOPOSVUXSGHLIR-LLVKDONJSA-N 0 0 451.495 4.805 20 0 JJADRN O=C(NCc1ncc(Br)cn1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001439892613 1065889676 /nfs/dbraw/zinc/88/96/76/1065889676.db2.gz GMYLVSHXBIACKH-SFHVURJKSA-N 0 0 450.308 4.667 20 0 JJADRN CN1C(=O)CN(C(=O)CSc2ccccc2Br)c2ccc(C(F)(F)F)cc21 ZINC001439893129 1065889743 /nfs/dbraw/zinc/88/97/43/1065889743.db2.gz FPZDYXPGUVJFBO-UHFFFAOYSA-N 0 0 459.287 4.570 20 0 JJADRN CN1C(=O)CN(C(=O)c2cc3ccccc3n2CC(F)(F)F)c2ccc(C(F)(F)F)cc21 ZINC001439896604 1065889759 /nfs/dbraw/zinc/88/97/59/1065889759.db2.gz NDELBIMTNOJCTJ-UHFFFAOYSA-N 0 0 455.358 4.846 20 0 JJADRN CN(CCOc1ccccc1C(=O)NCc1ccc(-c2cnco2)cc1)C(=O)OC(C)(C)C ZINC001439899953 1065890306 /nfs/dbraw/zinc/89/03/06/1065890306.db2.gz VPPWVZPLOSJPNH-UHFFFAOYSA-N 0 0 451.523 4.517 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cn(-c3ccccc3Br)nn2)cc2ccccc21 ZINC001439905348 1065890569 /nfs/dbraw/zinc/89/05/69/1065890569.db2.gz JRQPXAOVVKVAGI-AWEZNQCLSA-N 0 0 451.324 4.683 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001439915031 1065891145 /nfs/dbraw/zinc/89/11/45/1065891145.db2.gz BFVBTQXPGLHCGX-UHFFFAOYSA-N 0 0 451.365 4.503 20 0 JJADRN CCC(CC)(C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccc(OC)c(OC)c1 ZINC001439916596 1065891226 /nfs/dbraw/zinc/89/12/26/1065891226.db2.gz FGBJPNVBIGXGLA-UHFFFAOYSA-N 0 0 452.526 4.749 20 0 JJADRN C[C@H](OCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001360781480 1065892629 /nfs/dbraw/zinc/89/26/29/1065892629.db2.gz ZKWHTSFFBFUCKA-UNMCSNQZSA-N 0 0 478.641 4.572 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)Cc1ccc(Br)cc1Cl ZINC001439926129 1065892989 /nfs/dbraw/zinc/89/29/89/1065892989.db2.gz RMQMNIMIZKETJJ-JLTOFOAXSA-N 0 0 457.796 4.551 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C2 ZINC001439922490 1065893056 /nfs/dbraw/zinc/89/30/56/1065893056.db2.gz KOTXNPPHTOIXSI-SANMLTNESA-N 0 0 452.551 4.865 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc1 ZINC001360782950 1065893944 /nfs/dbraw/zinc/89/39/44/1065893944.db2.gz YLVCLNSHIMCUPA-UHFFFAOYSA-N 0 0 459.955 4.809 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccc(OCc3cccc(Cl)c3)c1)CCS2 ZINC001439931865 1065893980 /nfs/dbraw/zinc/89/39/80/1065893980.db2.gz HCZJBCSQOXFWIJ-WLBKGHODSA-N 0 0 459.995 4.866 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001439936952 1065894275 /nfs/dbraw/zinc/89/42/75/1065894275.db2.gz DXKGKSLWAUFSEV-MSOLQXFVSA-N 0 0 474.627 4.762 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001439937205 1065894297 /nfs/dbraw/zinc/89/42/97/1065894297.db2.gz IRPKAOVNDDJCOH-SJORKVTESA-N 0 0 450.988 4.924 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCCCOc2cccc(F)c2)cc1 ZINC001439939371 1065894352 /nfs/dbraw/zinc/89/43/52/1065894352.db2.gz JQKGGOSMQCYVST-UHFFFAOYSA-N 0 0 459.564 4.579 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001439939909 1065894514 /nfs/dbraw/zinc/89/45/14/1065894514.db2.gz RZRSEQZRMCQIIV-RTWAWAEBSA-N 0 0 456.608 4.950 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NCc1ccc(Br)cc1F ZINC001439944078 1065895249 /nfs/dbraw/zinc/89/52/49/1065895249.db2.gz UWYKUARRYGEQMB-UHFFFAOYSA-N 0 0 451.517 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001439953761 1065895819 /nfs/dbraw/zinc/89/58/19/1065895819.db2.gz FUZYKTJCLYEKRI-AWEZNQCLSA-N 0 0 459.490 4.821 20 0 JJADRN C[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)c1cccc(C(=O)c2ccccc2)c1 ZINC001439958917 1065896495 /nfs/dbraw/zinc/89/64/95/1065896495.db2.gz XXBYKKPPBLVFLV-BXKMTCNYSA-N 0 0 459.496 4.939 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(F)(F)F)cc2)cc1OC ZINC001439959945 1065897442 /nfs/dbraw/zinc/89/74/42/1065897442.db2.gz IRAKLFSASJJGIA-INIZCTEOSA-N 0 0 459.848 4.800 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1OCC(C)C)c1ccc(C(F)(F)F)cc1 ZINC001439960264 1065897502 /nfs/dbraw/zinc/89/75/02/1065897502.db2.gz LIIKAVQITMDXPS-LJQANCHMSA-N 0 0 453.457 4.783 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ncc3c(n2)CC[C@@H](C)C3)cc1Br ZINC001439960368 1065897511 /nfs/dbraw/zinc/89/75/11/1065897511.db2.gz NZWAVHVBCLEMEM-SNVBAGLBSA-N 0 0 453.178 4.941 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c2ncccc2C)C(C)(C)C)c1 ZINC001439960978 1065898077 /nfs/dbraw/zinc/89/80/77/1065898077.db2.gz AUVDGMCITJUUGT-IFMALSPDSA-N 0 0 455.599 4.738 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)CC1 ZINC001439963132 1065898823 /nfs/dbraw/zinc/89/88/23/1065898823.db2.gz TZFJDGUTMIRAPJ-QFIPXVFZSA-N 0 0 458.002 4.808 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1cc(Br)cc2cccnc21)c1ccc(F)c(F)c1 ZINC001439965004 1065899466 /nfs/dbraw/zinc/89/94/66/1065899466.db2.gz KLBDATKGPFBXLW-IBGZPJMESA-N 0 0 457.278 4.528 20 0 JJADRN CCCCCCN(Cc1ccco1)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC001439967739 1065899494 /nfs/dbraw/zinc/89/94/94/1065899494.db2.gz DUUVTRBAWZETGU-UHFFFAOYSA-N 0 0 451.493 4.895 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)c(C)c1 ZINC001360786173 1065899937 /nfs/dbraw/zinc/89/99/37/1065899937.db2.gz QZZVOADUSJKCGE-FQEVSTJZSA-N 0 0 454.636 4.776 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NC3CCN(c4cccc(F)c4)CC3)CC2(Cl)Cl)cc1 ZINC001360786346 1065900492 /nfs/dbraw/zinc/90/04/92/1065900492.db2.gz XFRQTJVAFUJNRW-JOCHJYFZSA-N 0 0 451.369 4.825 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 ZINC001439994596 1065900472 /nfs/dbraw/zinc/90/04/72/1065900472.db2.gz ZCOHXJSODDUIAW-UHFFFAOYSA-N 0 0 458.393 4.968 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)COc3ccc(C4SCCCS4)cc3)nc21 ZINC001439994748 1065900607 /nfs/dbraw/zinc/90/06/07/1065900607.db2.gz AAXNNGDBLDDPPS-UHFFFAOYSA-N 0 0 457.577 4.626 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)co1 ZINC001439997053 1065900686 /nfs/dbraw/zinc/90/06/86/1065900686.db2.gz BASKWBIPZUBYFG-CSKARUKUSA-N 0 0 454.910 4.750 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)[C@@H]1c1ccccc1OC ZINC001440001246 1065901386 /nfs/dbraw/zinc/90/13/86/1065901386.db2.gz PQNOPXKAMWPRQR-XTJBDQBJSA-N 0 0 454.998 4.712 20 0 JJADRN O=C(NC1(C2CCCCC2)CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001439998291 1065901471 /nfs/dbraw/zinc/90/14/71/1065901471.db2.gz HASYJMZLCCSSFP-UHFFFAOYSA-N 0 0 459.439 4.623 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NCc3nc(C(C)(C)C)co3)ccc21 ZINC001440002080 1065901789 /nfs/dbraw/zinc/90/17/89/1065901789.db2.gz YYPSITOJUPZKBP-UHFFFAOYSA-N 0 0 454.571 4.772 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(-c4ccccc4F)nn3)cs2)cc1OC ZINC001440010092 1065901818 /nfs/dbraw/zinc/90/18/18/1065901818.db2.gz HBNPSMKRMUKXIG-UHFFFAOYSA-N 0 0 450.495 4.605 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc(=O)n(Cc4cccc(Cl)c4)c3)CCC2)cc1OC ZINC001440005912 1065901936 /nfs/dbraw/zinc/90/19/36/1065901936.db2.gz ZIFMRAXRKCWUNP-UHFFFAOYSA-N 0 0 452.938 4.628 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)c2cnn(C(C)C)c2n1 ZINC001440002815 1065901973 /nfs/dbraw/zinc/90/19/73/1065901973.db2.gz RVUJYHKIGOUJLR-UHFFFAOYSA-N 0 0 456.472 4.670 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001440013802 1065902662 /nfs/dbraw/zinc/90/26/62/1065902662.db2.gz PTJOYLPCMKLTOZ-RPWUZVMVSA-N 0 0 456.627 4.919 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1cccc2c1OCCCO2 ZINC001440018750 1065902882 /nfs/dbraw/zinc/90/28/82/1065902882.db2.gz NFPNTSPSBIUFKG-UHFFFAOYSA-N 0 0 452.551 4.508 20 0 JJADRN CCOc1ccccc1OCC(=O)N1CCCc2cc(CCNC(=O)OC(C)(C)C)ccc21 ZINC001440022650 1065903588 /nfs/dbraw/zinc/90/35/88/1065903588.db2.gz YSMNEPAOLCCNIZ-UHFFFAOYSA-N 0 0 454.567 4.511 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001440021169 1065903657 /nfs/dbraw/zinc/90/36/57/1065903657.db2.gz UHQZKTKOUBJLET-XZOQPEGZSA-N 0 0 450.579 4.845 20 0 JJADRN C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1cnn(CC2CCC2)c1 ZINC001440022904 1065903758 /nfs/dbraw/zinc/90/37/58/1065903758.db2.gz YYVOTFOHUFIHSR-HNNXBMFYSA-N 0 0 457.372 4.911 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)[C@@H](C)Cc3cccc(Cl)c3)[nH]c2c(Br)c1 ZINC001440025979 1065903984 /nfs/dbraw/zinc/90/39/84/1065903984.db2.gz CXAMFUDPPUTIBR-JTQLQIEISA-N 0 0 450.720 4.583 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)NC3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cs2)c1 ZINC001440031469 1065905092 /nfs/dbraw/zinc/90/50/92/1065905092.db2.gz MXWOEXYJOUBDPE-UHFFFAOYSA-N 0 0 455.624 4.957 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)C3(c4ccccc4C)CCCC3)[nH]c2c(Br)c1 ZINC001440031276 1065905133 /nfs/dbraw/zinc/90/51/33/1065905133.db2.gz ZHPYZXDOGHALTI-UHFFFAOYSA-N 0 0 456.340 4.871 20 0 JJADRN CCC(CC)(C(=O)NCCc1cc2ccc(C(=O)OC)cc2o1)c1ccc(OC)c(OC)c1 ZINC001440041634 1065905927 /nfs/dbraw/zinc/90/59/27/1065905927.db2.gz BPFHUMZWMSYRFP-UHFFFAOYSA-N 0 0 453.535 4.653 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)c1cc(F)c(N3CCOCC3)c(F)c1)C[C@@H](C)C2 ZINC001440055903 1065907548 /nfs/dbraw/zinc/90/75/48/1065907548.db2.gz CAHBYAZDUCDKPW-ZDUSSCGKSA-N 0 0 454.439 4.968 20 0 JJADRN Cc1c(Cl)cccc1OCC(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001440064462 1065908275 /nfs/dbraw/zinc/90/82/75/1065908275.db2.gz LLSTYFFAVLUULF-NRFANRHFSA-N 0 0 451.007 4.911 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1 ZINC001360794487 1065908695 /nfs/dbraw/zinc/90/86/95/1065908695.db2.gz WWDHIRFKCFKDFT-QFIPXVFZSA-N 0 0 450.922 4.935 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccc(Cl)s2)C1 ZINC001360794246 1065908704 /nfs/dbraw/zinc/90/87/04/1065908704.db2.gz MSCYTXYSOJVGQX-FQEVSTJZSA-N 0 0 484.840 4.911 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCC(F)(F)C2)C1 ZINC001360794315 1065908759 /nfs/dbraw/zinc/90/87/59/1065908759.db2.gz NALBMYHQVAFMCJ-BTYIYWSLSA-N 0 0 496.400 4.625 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001360795138 1065909452 /nfs/dbraw/zinc/90/94/52/1065909452.db2.gz ZEIZFJFPUYPDBF-VFNWGFHPSA-N 0 0 496.400 4.625 20 0 JJADRN Cc1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)n2)cc1 ZINC001360795245 1065909738 /nfs/dbraw/zinc/90/97/38/1065909738.db2.gz CGJAOUVRRIUPQU-UHFFFAOYSA-N 0 0 457.428 4.663 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 ZINC001440076618 1065910055 /nfs/dbraw/zinc/91/00/55/1065910055.db2.gz DMQQKTOARHXQJL-UHFFFAOYSA-N 0 0 458.649 4.682 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC001360796559 1065910093 /nfs/dbraw/zinc/91/00/93/1065910093.db2.gz ZCSONIOHTDCSAD-QFIPXVFZSA-N 0 0 452.595 4.681 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC1CC1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001360799580 1065910543 /nfs/dbraw/zinc/91/05/43/1065910543.db2.gz HVWPCHKXSVJHOL-UHFFFAOYSA-N 0 0 455.799 4.515 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1)C1CC1 ZINC001360800027 1065911205 /nfs/dbraw/zinc/91/12/05/1065911205.db2.gz SSNIMDDUOCHJGU-QHCPKHFHSA-N 0 0 451.567 4.792 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br ZINC001360800623 1065911716 /nfs/dbraw/zinc/91/17/16/1065911716.db2.gz IEBPULRLEWQRCS-CXAGYDPISA-N 0 0 459.812 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)c2ccc(OC(F)F)cc2F)n1 ZINC001440107622 1065912310 /nfs/dbraw/zinc/91/23/10/1065912310.db2.gz KZRGRMZILXSVOK-HNNXBMFYSA-N 0 0 452.433 4.541 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001360801774 1065912665 /nfs/dbraw/zinc/91/26/65/1065912665.db2.gz NOALIDKRJLJIAJ-QWHCGFSZSA-N 0 0 490.357 4.803 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2CC(C)(C)C2)CCO1 ZINC001360801636 1065912709 /nfs/dbraw/zinc/91/27/09/1065912709.db2.gz JLPKPRGUHUMEOG-FQEVSTJZSA-N 0 0 490.048 4.765 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC001440115677 1065913374 /nfs/dbraw/zinc/91/33/74/1065913374.db2.gz WCFPQKZHPBZXHT-IHPCNDPISA-N 0 0 452.555 4.690 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360802341 1065913662 /nfs/dbraw/zinc/91/36/62/1065913662.db2.gz DSPMEFDLAWVUNL-JOCHJYFZSA-N 0 0 470.511 4.716 20 0 JJADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC(C)(C)C2)CC1 ZINC001360802132 1065913708 /nfs/dbraw/zinc/91/37/08/1065913708.db2.gz YWCFPAFJQVWWAJ-HXUWFJFHSA-N 0 0 461.651 4.697 20 0 JJADRN CC1(C)CC(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001360802123 1065913735 /nfs/dbraw/zinc/91/37/35/1065913735.db2.gz YRPZTIZCIKNVBL-UHFFFAOYSA-N 0 0 469.577 4.875 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001440119485 1065913814 /nfs/dbraw/zinc/91/38/14/1065913814.db2.gz UIMHBRJDZZRGJB-HSZRJFAPSA-N 0 0 450.963 4.522 20 0 JJADRN 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CC1(C)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 ZINC001360805068 1065916368 /nfs/dbraw/zinc/91/63/68/1065916368.db2.gz HCXXFGULQKZHJP-IBGZPJMESA-N 0 0 462.063 4.774 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001440144124 1065916387 /nfs/dbraw/zinc/91/63/87/1065916387.db2.gz FISTWYKRRCWURT-XLIONFOSSA-N 0 0 453.652 4.786 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001440143986 1065916596 /nfs/dbraw/zinc/91/65/96/1065916596.db2.gz DJSHQFKCZWZBJR-GFCCVEGCSA-N 0 0 450.486 4.999 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccc(Cl)s2)C1 ZINC001360805117 1065916818 /nfs/dbraw/zinc/91/68/18/1065916818.db2.gz IJJPAEBIIMEYDV-UHFFFAOYSA-N 0 0 479.071 4.933 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001360805339 1065916825 /nfs/dbraw/zinc/91/68/25/1065916825.db2.gz OJXXGBQKYKQUIK-GJZGRUSLSA-N 0 0 450.414 4.780 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2cc(Br)ccc2Cl)CC[C@@H](C)c2ccccc21 ZINC001440146740 1065917089 /nfs/dbraw/zinc/91/70/89/1065917089.db2.gz LJBDZDFGWCSKPD-LRTDBIEQSA-N 0 0 450.760 4.727 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2cc(Br)ccc2Cl)CC[C@H](C)c2ccccc21 ZINC001440146742 1065917098 /nfs/dbraw/zinc/91/70/98/1065917098.db2.gz LJBDZDFGWCSKPD-YEJXKQKISA-N 0 0 450.760 4.727 20 0 JJADRN CSc1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)ccc1Br ZINC001440150222 1065917443 /nfs/dbraw/zinc/91/74/43/1065917443.db2.gz JMELSMJPSDZNSE-AWEZNQCLSA-N 0 0 457.434 4.938 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360805627 1065917791 /nfs/dbraw/zinc/91/77/91/1065917791.db2.gz VVCAXBBYKDFEHI-HOTGVXAUSA-N 0 0 451.587 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001440156540 1065918077 /nfs/dbraw/zinc/91/80/77/1065918077.db2.gz WIMKRBHKDQSVBO-SFHVURJKSA-N 0 0 451.007 4.542 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccccc3Br)n2CCCN2CCCCC2=O)C1 ZINC001360805826 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CZGVJSDKVWFDRF-UHFFFAOYSA-N 0 0 458.511 4.990 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(OC)c(C)c(OC)c2)c2ccc(OC)cc2)n1 ZINC001360807219 1065919562 /nfs/dbraw/zinc/91/95/62/1065919562.db2.gz DDKYHCWQZUKHFI-UHFFFAOYSA-N 0 0 456.520 4.633 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cn1 ZINC001440170290 1065920043 /nfs/dbraw/zinc/92/00/43/1065920043.db2.gz KPYOPMQRFBWISA-NRFANRHFSA-N 0 0 452.599 4.728 20 0 JJADRN COc1ccc2oc(C(=O)Nc3nccc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n3)c(C)c2c1 ZINC001440170728 1065920216 /nfs/dbraw/zinc/92/02/16/1065920216.db2.gz HJXCUCANVBESPB-HNNXBMFYSA-N 0 0 452.511 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)Cc3cc4cc(Cl)ccc4[nH]3)n2)C1 ZINC001440174889 1065920717 /nfs/dbraw/zinc/92/07/17/1065920717.db2.gz PVSKMCFULFDWFC-AWEZNQCLSA-N 0 0 455.946 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccc(Br)c(Cl)c2F)C1 ZINC001440179630 1065921329 /nfs/dbraw/zinc/92/13/29/1065921329.db2.gz IXCJJZWFJYDTLU-ZANVPECISA-N 0 0 453.711 4.775 20 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CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCCC(C)(C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360809015 1065923380 /nfs/dbraw/zinc/92/33/80/1065923380.db2.gz YWQKECZMFIBONE-XHVUARLKSA-N 0 0 481.707 4.524 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001360810837 1065924156 /nfs/dbraw/zinc/92/41/56/1065924156.db2.gz YCWLBGDZJSBYDP-NSHDSACASA-N 0 0 456.896 4.598 20 0 JJADRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C[C@@H]1NC(=O)C(F)(F)F ZINC001440216373 1065924718 /nfs/dbraw/zinc/92/47/18/1065924718.db2.gz TYPDOLARBWGIJO-CEIRLDKZSA-N 0 0 456.917 4.997 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOC[C@H]1CCOC1 ZINC001360811343 1065924687 /nfs/dbraw/zinc/92/46/87/1065924687.db2.gz OSGDXBKWKAYVMP-QGZVFWFLSA-N 0 0 463.420 4.530 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[C@@H](C)c1ccc(OC)cc1 ZINC001545929291 1065925219 /nfs/dbraw/zinc/92/52/19/1065925219.db2.gz VXNCVRZVKRNBTF-AUSIDOKSSA-N 0 0 485.673 4.650 20 0 JJADRN 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494.503 4.729 20 0 JJADRN COc1ccc(C)cc1CCNC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001440650265 1065958664 /nfs/dbraw/zinc/95/86/64/1065958664.db2.gz LOAGTTACVTUYPN-UHFFFAOYSA-N 0 0 459.612 4.547 20 0 JJADRN CC12CCC(CC1)N2c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCC(F)F ZINC001360849083 1065958698 /nfs/dbraw/zinc/95/86/98/1065958698.db2.gz MYDWKJPNBMYJSH-UHFFFAOYSA-N 0 0 461.340 4.967 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001360849247 1065959151 /nfs/dbraw/zinc/95/91/51/1065959151.db2.gz AOUGFGPSNHBXBU-UHFFFAOYSA-N 0 0 452.436 4.805 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)C(F)(F)c3ccc(OCC(=O)N(C)C)cc3)cc2)c1 ZINC001360849272 1065959185 /nfs/dbraw/zinc/95/91/85/1065959185.db2.gz BHSXDEHXWBVJJS-UHFFFAOYSA-N 0 0 452.501 4.537 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C)CC2)c1Br ZINC001360849499 1065959399 /nfs/dbraw/zinc/95/93/99/1065959399.db2.gz TZNXZKUPNZWHMJ-CYBMUJFWSA-N 0 0 463.449 4.794 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C)CC2)c1Br 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20 0 JJADRN Cc1sc(C)c(Cn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)c1Br ZINC001360850770 1065962014 /nfs/dbraw/zinc/96/20/14/1065962014.db2.gz PGAYFSLORQIQET-UHFFFAOYSA-N 0 0 485.492 4.900 20 0 JJADRN Cc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)=C(Br)C2)c(C)c1 ZINC001360850900 1065962977 /nfs/dbraw/zinc/96/29/77/1065962977.db2.gz UENAJDZNXFOUOJ-UHFFFAOYSA-N 0 0 495.425 4.664 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001360850952 1065962993 /nfs/dbraw/zinc/96/29/93/1065962993.db2.gz WLAZAQXSAAHQDQ-SJLPKXTDSA-N 0 0 482.467 4.926 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCCO)CC1 ZINC001360851158 1065963756 /nfs/dbraw/zinc/96/37/56/1065963756.db2.gz DEJXLHPKGTZXOM-UHFFFAOYSA-N 0 0 490.229 4.530 20 0 JJADRN C[C@H](C(=O)NCC(C)(C)Sc1ccc(Br)cc1)n1ccc(C(F)(F)F)n1 ZINC001360851268 1065963783 /nfs/dbraw/zinc/96/37/83/1065963783.db2.gz BYPDDPDKXKHRLF-LLVKDONJSA-N 0 0 450.324 4.913 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)F)CC1 ZINC001360851317 1065964174 /nfs/dbraw/zinc/96/41/74/1065964174.db2.gz GYEJYPIYGIQKCO-UHFFFAOYSA-N 0 0 462.726 4.502 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3Cl)nnc2N2CCC(C)=C(Br)C2)cnn1C ZINC001360851267 1065964195 /nfs/dbraw/zinc/96/41/95/1065964195.db2.gz FXVIBYJKXJGKDY-UHFFFAOYSA-N 0 0 461.795 4.568 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC001440679256 1065964361 /nfs/dbraw/zinc/96/43/61/1065964361.db2.gz FMZHIVCKPQVBPC-HXUWFJFHSA-N 0 0 450.529 4.974 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccn3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001360851424 1065964633 /nfs/dbraw/zinc/96/46/33/1065964633.db2.gz JZMRLWMSWMKCFU-MRXNPFEDSA-N 0 0 472.362 4.826 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccn3)n2C[C@H](C)Oc2ccccc2F)CC1 ZINC001360851423 1065964647 /nfs/dbraw/zinc/96/46/47/1065964647.db2.gz JZMRLWMSWMKCFU-INIZCTEOSA-N 0 0 472.362 4.826 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2CCCOCC2CCOCC2)CC1 ZINC001360851495 1065964664 /nfs/dbraw/zinc/96/46/64/1065964664.db2.gz LVWHIPUXUROAKR-UHFFFAOYSA-N 0 0 493.421 4.797 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2CCCN(C)c2ccccc2F)CC1 ZINC001360851465 1065964675 /nfs/dbraw/zinc/96/46/75/1065964675.db2.gz LAPGWGHWGSJGEI-UHFFFAOYSA-N 0 0 473.394 4.818 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001360851448 1065964779 /nfs/dbraw/zinc/96/47/79/1065964779.db2.gz KRPFJODKJHTCQS-UHFFFAOYSA-N 0 0 476.419 4.739 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)NCC(C)(C)Sc1ccc(Br)cc1)C2 ZINC001360851521 1065965186 /nfs/dbraw/zinc/96/51/86/1065965186.db2.gz FTZLBUHECKYOAX-OAHLLOKOSA-N 0 0 450.398 4.696 20 0 JJADRN Cn1cc(-c2nc(C(=O)NCC(C)(C)Sc3ccc(Br)cc3)cs2)cn1 ZINC001360851760 1065965457 /nfs/dbraw/zinc/96/54/57/1065965457.db2.gz KMBMVTKVBXOISR-UHFFFAOYSA-N 0 0 451.415 4.607 20 0 JJADRN O=C(NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001440683322 1065965882 /nfs/dbraw/zinc/96/58/82/1065965882.db2.gz YKSNIEXZFFYIAU-UHFFFAOYSA-N 0 0 450.380 4.501 20 0 JJADRN CO[C@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC001440682864 1065965989 /nfs/dbraw/zinc/96/59/89/1065965989.db2.gz TVTAGKLISGRLLM-VWLOTQADSA-N 0 0 454.492 4.725 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001360851861 1065965921 /nfs/dbraw/zinc/96/59/21/1065965921.db2.gz SWLPAURJULCLIU-HXUWFJFHSA-N 0 0 496.247 4.748 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc(Cl)c3)n2CC2CCOCC2)CC1 ZINC001360851964 1065966524 /nfs/dbraw/zinc/96/65/24/1065966524.db2.gz UJXABYNQYCGHNY-UHFFFAOYSA-N 0 0 451.796 4.904 20 0 JJADRN CCSCc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)no1 ZINC001440684501 1065966418 /nfs/dbraw/zinc/96/64/18/1065966418.db2.gz YUSDXKLWSHJUAI-UHFFFAOYSA-N 0 0 457.546 4.753 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001360852119 1065967532 /nfs/dbraw/zinc/96/75/32/1065967532.db2.gz YJIVHVMDZIMXPQ-UHFFFAOYSA-N 0 0 479.304 4.681 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001440702372 1065967732 /nfs/dbraw/zinc/96/77/32/1065967732.db2.gz CPWKGZZCVACVAW-KAGYGMCKSA-N 0 0 456.608 4.975 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC001360852893 1065967899 /nfs/dbraw/zinc/96/78/99/1065967899.db2.gz ULEFULQWDBUXLM-UHFFFAOYSA-N 0 0 450.947 4.759 20 0 JJADRN Cc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2Cc2ccc(Cl)nc2)n1 ZINC001360853043 1065968359 /nfs/dbraw/zinc/96/83/59/1065968359.db2.gz AZRZCMJQBXNPBI-UHFFFAOYSA-N 0 0 459.779 4.624 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360853148 1065968460 /nfs/dbraw/zinc/96/84/60/1065968460.db2.gz FHKOZNNKSCWALT-OAHLLOKOSA-N 0 0 484.483 4.907 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360853028 1065968509 /nfs/dbraw/zinc/96/85/09/1065968509.db2.gz ALBLQCWKFLWGLC-HOTGVXAUSA-N 0 0 481.822 4.782 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001360853322 1065968900 /nfs/dbraw/zinc/96/89/00/1065968900.db2.gz ACMOTXHNWHNTBA-OAQYLSRUSA-N 0 0 481.442 4.978 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360853413 1065969515 /nfs/dbraw/zinc/96/95/15/1065969515.db2.gz KJLOQMDXYIAXIK-JKSUJKDBSA-N 0 0 459.379 4.877 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360853411 1065969530 /nfs/dbraw/zinc/96/95/30/1065969530.db2.gz KJLOQMDXYIAXIK-HZPDHXFCSA-N 0 0 459.379 4.877 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 ZINC001360853555 1065969851 /nfs/dbraw/zinc/96/98/51/1065969851.db2.gz GXIBJEOXOOLQTC-UHFFFAOYSA-N 0 0 456.363 4.639 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001360853560 1065970203 /nfs/dbraw/zinc/97/02/03/1065970203.db2.gz HCDIDMIUCIOQOJ-GHTZIAJQSA-N 0 0 474.447 4.738 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360853667 1065970630 /nfs/dbraw/zinc/97/06/30/1065970630.db2.gz NAXSIZJCLZJYTN-AEFFLSMTSA-N 0 0 498.466 4.654 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCC(C)=C(Br)C2)cc1 ZINC001360853727 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CC(C)C[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccccc1 ZINC001440792248 1065979506 /nfs/dbraw/zinc/97/95/06/1065979506.db2.gz WAZQWBREKGQXMA-LEWJYISDSA-N 0 0 455.603 4.757 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001360861860 1065979535 /nfs/dbraw/zinc/97/95/35/1065979535.db2.gz XKOJHYSPTUJPDD-GHTZIAJQSA-N 0 0 469.561 4.578 20 0 JJADRN CCC(CC)[C@H](CNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21)N1CCOCC1 ZINC001440796233 1065979735 /nfs/dbraw/zinc/97/97/35/1065979735.db2.gz INHWNXUVJJVLOA-IERDGZPVSA-N 0 0 450.048 4.622 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360861933 1065979822 /nfs/dbraw/zinc/97/98/22/1065979822.db2.gz ZGUFVMBIOXQZPJ-UHFFFAOYSA-N 0 0 475.515 4.922 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001360861934 1065979968 /nfs/dbraw/zinc/97/99/68/1065979968.db2.gz ZHHASIMWNBYIAU-UHFFFAOYSA-N 0 0 499.059 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)NCc3ccc(Cl)s3)s2)CC1 ZINC001440797920 1065979984 /nfs/dbraw/zinc/97/99/84/1065979984.db2.gz XREVEYPGCPBQJB-UHFFFAOYSA-N 0 0 456.033 4.978 20 0 JJADRN CC(C)Oc1ccc(CNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC001440798759 1065980001 /nfs/dbraw/zinc/98/00/01/1065980001.db2.gz UVGIKPWVSNHEDR-UHFFFAOYSA-N 0 0 459.612 4.975 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC[C@H](F)C2)c1C ZINC001360862225 1065980214 /nfs/dbraw/zinc/98/02/14/1065980214.db2.gz JGWZKEIAFBRVML-HKUYNNGSSA-N 0 0 470.980 4.823 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001360862273 1065980288 /nfs/dbraw/zinc/98/02/88/1065980288.db2.gz KWWOLIWJVRRGPC-OAQYLSRUSA-N 0 0 486.016 4.857 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCCCCC2)c1C ZINC001360862221 1065980310 /nfs/dbraw/zinc/98/03/10/1065980310.db2.gz JDCYLQJLINRKNP-UHFFFAOYSA-N 0 0 497.043 4.771 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)c1C ZINC001360862308 1065980853 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JNPNLICTTFBRGJ-UHFFFAOYSA-N 0 0 454.328 4.655 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2ccnc(C(F)(F)F)c2)c1C ZINC001360864845 1065983237 /nfs/dbraw/zinc/98/32/37/1065983237.db2.gz JZEMVXQDIYTLCM-UHFFFAOYSA-N 0 0 472.515 4.699 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N[C@H]3CCCc4[nH]c(=O)ccc43)cc21 ZINC001440850740 1065983489 /nfs/dbraw/zinc/98/34/89/1065983489.db2.gz HRJIEQLIMXDYEJ-GCJKJVERSA-N 0 0 451.567 4.539 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC001440838274 1065983645 /nfs/dbraw/zinc/98/36/45/1065983645.db2.gz WTNZHYFEBCWCEF-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC001440839822 1065983711 /nfs/dbraw/zinc/98/37/11/1065983711.db2.gz DUVLRELHIKWQMC-HXUWFJFHSA-N 0 0 457.958 4.781 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCCOc1ccc(C)cc1 ZINC001545936109 1065983731 /nfs/dbraw/zinc/98/37/31/1065983731.db2.gz BSZZWVXWZKABPB-UHFFFAOYSA-N 0 0 483.657 4.514 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC2(O)CCOCC2)c1C ZINC001360865433 1065984080 /nfs/dbraw/zinc/98/40/80/1065984080.db2.gz BFQCGXONRJOELE-STZQEDGTSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360865503 1065984628 /nfs/dbraw/zinc/98/46/28/1065984628.db2.gz CPXLKXFAHBRXEU-VQTJNVASSA-N 0 0 453.587 4.598 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001360865500 1065984872 /nfs/dbraw/zinc/98/48/72/1065984872.db2.gz CPPJOPLVBQJYHX-OAQYLSRUSA-N 0 0 477.613 4.675 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001360865587 1065985089 /nfs/dbraw/zinc/98/50/89/1065985089.db2.gz DYTFHKPCAPIHLZ-NRSPTQNISA-N 0 0 488.654 4.551 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)c1C ZINC001360865652 1065985265 /nfs/dbraw/zinc/98/52/65/1065985265.db2.gz GJKWGDAKYXFPLG-JOCHJYFZSA-N 0 0 492.668 4.797 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(Br)c(F)cc2N)cc1 ZINC001440867068 1065985420 /nfs/dbraw/zinc/98/54/20/1065985420.db2.gz NLISDGCDYHWNIP-UHFFFAOYSA-N 0 0 456.315 4.661 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC3)n2CCCN2CCCCCC2=O)c1C ZINC001360865672 1065985466 /nfs/dbraw/zinc/98/54/66/1065985466.db2.gz GRMCGUXVFTZGMW-NRFANRHFSA-N 0 0 453.631 4.816 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC001440869148 1065985703 /nfs/dbraw/zinc/98/57/03/1065985703.db2.gz WOZKQEZBIYJKDG-HSZRJFAPSA-N 0 0 452.599 4.832 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)s1 ZINC001440867579 1065985843 /nfs/dbraw/zinc/98/58/43/1065985843.db2.gz RWSUJDIDZUKQQH-NRFANRHFSA-N 0 0 458.624 4.654 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3cccs3)n2CCCS(C)(=O)=O)c1C ZINC001360865877 1065986400 /nfs/dbraw/zinc/98/64/00/1065986400.db2.gz JUVLEKRTWPDETA-RBUKOAKNSA-N 0 0 476.668 4.729 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001440870818 1065986422 /nfs/dbraw/zinc/98/64/22/1065986422.db2.gz KYYQBVVMLXVZTH-INIZCTEOSA-N 0 0 451.792 4.604 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 ZINC001440872230 1065986837 /nfs/dbraw/zinc/98/68/37/1065986837.db2.gz VQMOHBNWNBBYIN-UHFFFAOYSA-N 0 0 459.377 4.536 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1=CCCOC1 ZINC001360866010 1065987025 /nfs/dbraw/zinc/98/70/25/1065987025.db2.gz LDOSCVYTPMWRGI-HXUWFJFHSA-N 0 0 451.571 4.623 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001440871708 1065987045 /nfs/dbraw/zinc/98/70/45/1065987045.db2.gz SSPNFEGHPZATNF-UHFFFAOYSA-N 0 0 455.027 4.661 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(C)CCCC2)c1C ZINC001360866299 1065988032 /nfs/dbraw/zinc/98/80/32/1065988032.db2.gz QLPFOZNTOAOAOW-NJDAHSKKSA-N 0 0 476.687 4.873 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CSCCS2)c1C ZINC001360866185 1065988067 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WRJPDOWJIGEDCU-NHCUHLMSSA-N 0 0 453.631 4.742 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC(C)(C)c1cccc(OC)c1 ZINC001545936494 1065989760 /nfs/dbraw/zinc/98/97/60/1065989760.db2.gz NCCPAAOVYVJWNK-UHFFFAOYSA-N 0 0 497.684 4.722 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2cnnn2C)c1C ZINC001360866645 1065989895 /nfs/dbraw/zinc/98/98/95/1065989895.db2.gz WSMPQZASLGIUNW-MRXNPFEDSA-N 0 0 472.018 4.563 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)c1C ZINC001360866886 1065990470 /nfs/dbraw/zinc/99/04/70/1065990470.db2.gz ZFVWGIOMTUTGGQ-AZKZNFPZSA-N 0 0 456.631 4.711 20 0 JJADRN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC001440886761 1065990576 /nfs/dbraw/zinc/99/05/76/1065990576.db2.gz FLDJTPOSZWVHJT-UHFFFAOYSA-N 0 0 458.027 4.996 20 0 JJADRN C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)c1 ZINC001440895057 1065990833 /nfs/dbraw/zinc/99/08/33/1065990833.db2.gz OOJOBFBRKBNJHP-QFIPXVFZSA-N 0 0 455.514 4.569 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2cc(C)cc(C=O)c2O)c2c[nH]c3ccccc32)c1OC ZINC001440893827 1065991068 /nfs/dbraw/zinc/99/10/68/1065991068.db2.gz LOSYHEHLKQIGOV-JOCHJYFZSA-N 0 0 458.514 4.574 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC001360868008 1065991308 /nfs/dbraw/zinc/99/13/08/1065991308.db2.gz PYFHAMPIRGIZPA-GOSISDBHSA-N 0 0 458.946 4.735 20 0 JJADRN COc1ccc([C@@H](CNC(=O)Cn2nc(C(F)(F)F)cc2C)c2c[nH]c3ccccc32)cc1 ZINC001440898257 1065992095 /nfs/dbraw/zinc/99/20/95/1065992095.db2.gz WKCLROQROSUAAX-LJQANCHMSA-N 0 0 456.468 4.649 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001440898513 1065992105 /nfs/dbraw/zinc/99/21/05/1065992105.db2.gz FJUSBAQQRJYVHE-SFHVURJKSA-N 0 0 451.552 4.748 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccc(F)cn2)c1C ZINC001360868411 1065992086 /nfs/dbraw/zinc/99/20/86/1065992086.db2.gz DNFDJLMIRJGCIO-KNQAVFIVSA-N 0 0 453.562 4.623 20 0 JJADRN CCCc1cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)cc(=O)[nH]1 ZINC001440899330 1065992337 /nfs/dbraw/zinc/99/23/37/1065992337.db2.gz YNNJTPUDMQCSOR-QFIPXVFZSA-N 0 0 459.546 4.800 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)ccc1NC(=O)CC(C)C ZINC001440899485 1065992367 /nfs/dbraw/zinc/99/23/67/1065992367.db2.gz PXVPQIDYJOYYGL-OAQYLSRUSA-N 0 0 452.555 4.532 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001440900281 1065992750 /nfs/dbraw/zinc/99/27/50/1065992750.db2.gz UCHXPAKSLHJMIW-KFHAODIQSA-N 0 0 459.768 4.743 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360868709 1065993310 /nfs/dbraw/zinc/99/33/10/1065993310.db2.gz ARNMVIGLVPOUMB-JZXOWHBKSA-N 0 0 456.541 4.903 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CC(C)C)C3CCCC3)n2C[C@@]2(O)CCOC2)c1C ZINC001360868677 1065993426 /nfs/dbraw/zinc/99/34/26/1065993426.db2.gz ACYQIBSJYOYHHE-LVXARBLLSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cc(C)cc(C2(C(=O)NCCN3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)CC2)c1 ZINC001440918869 1065993287 /nfs/dbraw/zinc/99/32/87/1065993287.db2.gz DDTYAUDCFQDSHC-XSFVSMFZSA-N 0 0 454.979 4.841 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)C1 ZINC001440903544 1065993344 /nfs/dbraw/zinc/99/33/44/1065993344.db2.gz ZUPGUYPGWOANTH-OXQOHEQNSA-N 0 0 456.543 4.575 20 0 JJADRN Cc1ccnc2ccc(C(=O)NCCN3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)cc12 ZINC001440919608 1065993844 /nfs/dbraw/zinc/99/38/44/1065993844.db2.gz GKSKMYXMWUFMBV-UDWIEESQSA-N 0 0 451.935 4.663 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360868712 1065993933 /nfs/dbraw/zinc/99/39/33/1065993933.db2.gz ARXXEPLOTOBRDP-AFMDSPMNSA-N 0 0 456.631 4.590 20 0 JJADRN Cc1ccnc2ccc(C(=O)NCCN3C(=O)S/C(=C\c4ccc(Cl)cc4)C3=O)cc12 ZINC001440919602 1065994008 /nfs/dbraw/zinc/99/40/08/1065994008.db2.gz GKSKMYXMWUFMBV-NDENLUEZSA-N 0 0 451.935 4.663 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2CCc2ccsc2)c1C ZINC001360868846 1065994585 /nfs/dbraw/zinc/99/45/85/1065994585.db2.gz KRBNIDMXFUGUDA-HXUWFJFHSA-N 0 0 450.612 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360868954 1065994856 /nfs/dbraw/zinc/99/48/56/1065994856.db2.gz CVIATFVLMYWILD-UXLLHSPISA-N 0 0 458.550 4.902 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2CCC[C@H]2CCCCO2)c1C ZINC001360868865 1065995024 /nfs/dbraw/zinc/99/50/24/1065995024.db2.gz LBEFMQGKVCALCE-DNVJHFABSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC(C)(C)C)CC2)c1C ZINC001440928064 1065995312 /nfs/dbraw/zinc/99/53/12/1065995312.db2.gz WFYIERGTKJDCFA-UHFFFAOYSA-N 0 0 456.652 4.656 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@](C)(O)c2cccs2)c1C ZINC001360869015 1065995360 /nfs/dbraw/zinc/99/53/60/1065995360.db2.gz DASASTYFDWWQRE-WZOHSFFVSA-N 0 0 470.639 4.619 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1C ZINC001360869029 1065995413 /nfs/dbraw/zinc/99/54/13/1065995413.db2.gz LTLUQYDMDIFEKQ-VDKIKQQVSA-N 0 0 480.657 4.819 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCO[C@H](C)C2)c1C ZINC001360868979 1065995478 /nfs/dbraw/zinc/99/54/78/1065995478.db2.gz LNFYUJHXXNTXKZ-HMXCVIKNSA-N 0 0 469.655 4.985 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360869050 1065995990 /nfs/dbraw/zinc/99/59/90/1065995990.db2.gz LXUAWMHAZIPUIY-IRLDBZIGSA-N 0 0 497.606 4.780 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869083 1065996045 /nfs/dbraw/zinc/99/60/45/1065996045.db2.gz DZSACIUQQYFCDN-AZUAARDMSA-N 0 0 487.645 4.563 20 0 JJADRN CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C(C)C)cc1 ZINC001440947488 1065996231 /nfs/dbraw/zinc/99/62/31/1065996231.db2.gz SCHNBPVUEDMFFE-MZNJEOGPSA-N 0 0 458.624 4.777 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3nccs3)n2Cc2ccc(F)cn2)c1C ZINC001360869192 1065996393 /nfs/dbraw/zinc/99/63/93/1065996393.db2.gz MQOVTKDCFULXIH-SFHVURJKSA-N 0 0 466.586 4.753 20 0 JJADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Nc4cccnc4)cc3)C2=O)cc1 ZINC001440965227 1065997180 /nfs/dbraw/zinc/99/71/80/1065997180.db2.gz FHTFQJKNGRJVLW-JCMHNJIXSA-N 0 0 458.543 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CCC(C)C)C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1C ZINC001360869414 1065997479 /nfs/dbraw/zinc/99/74/79/1065997479.db2.gz HHJIJFAJOZMTLK-FGZHOGPDSA-N 0 0 488.698 4.875 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3cccs3)n2CCNC(=O)C(C)(C)C)c1C ZINC001360869330 1065997583 /nfs/dbraw/zinc/99/75/83/1065997583.db2.gz ODHHMJPPJXVZCH-HXUWFJFHSA-N 0 0 483.682 4.938 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC001440969675 1065997659 /nfs/dbraw/zinc/99/76/59/1065997659.db2.gz WQGBSZUIXLGTTO-UHFFFAOYSA-N 0 0 453.749 4.643 20 0 JJADRN CSc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)co1 ZINC001440971174 1065997693 /nfs/dbraw/zinc/99/76/93/1065997693.db2.gz SKLLLDHDPCTENU-MKMNVTDBSA-N 0 0 457.360 4.775 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001440969969 1065997798 /nfs/dbraw/zinc/99/77/98/1065997798.db2.gz YTBGYVRIXDSIQY-LJQANCHMSA-N 0 0 453.568 4.561 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1C ZINC001360869448 1065997987 /nfs/dbraw/zinc/99/79/87/1065997987.db2.gz HNIGQVPUHRPYHU-NNXSRULWSA-N 0 0 497.684 4.576 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC001440973150 1065998244 /nfs/dbraw/zinc/99/82/44/1065998244.db2.gz VSHFZNFBTZFKCL-QGZVFWFLSA-N 0 0 453.587 4.706 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CSCCS2)c1C ZINC001360869699 1065998592 /nfs/dbraw/zinc/99/85/92/1065998592.db2.gz QIJURHZTGAIGGM-TZIWHRDSSA-N 0 0 469.680 4.915 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3cnccn3)n2CC2CC(F)(F)C2)c1C ZINC001360869720 1065998721 /nfs/dbraw/zinc/99/87/21/1065998721.db2.gz QOQHZDRFKDETJM-GOSISDBHSA-N 0 0 456.541 4.549 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)c1C ZINC001360869747 1065999170 /nfs/dbraw/zinc/99/91/70/1065999170.db2.gz QXTKLUWVQBTGNM-JTHBVZDNSA-N 0 0 479.625 4.738 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC2=CCCCC2)c1C ZINC001360869793 1065999282 /nfs/dbraw/zinc/99/92/82/1065999282.db2.gz KCEVUYFNFDDIEV-FPOVZHCZSA-N 0 0 451.615 4.592 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[C@@H]43)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360869802 1065999661 /nfs/dbraw/zinc/99/96/61/1065999661.db2.gz KGJZKUVZKUOGSW-HKBOAZHASA-N 0 0 469.630 4.938 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1C ZINC001360869814 1065999675 /nfs/dbraw/zinc/99/96/75/1065999675.db2.gz KNLSSWXERPFSGT-IBGZPJMESA-N 0 0 491.583 4.961 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=CCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1C ZINC001360869815 1065999839 /nfs/dbraw/zinc/99/98/39/1065999839.db2.gz KNLSSWXERPFSGT-LJQANCHMSA-N 0 0 491.583 4.961 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@H](CCCc3ccccc3)C2)cc1 ZINC001545937292 1065999967 /nfs/dbraw/zinc/99/99/67/1065999967.db2.gz JPMVUQSYUXOWCZ-FQEVSTJZSA-N 0 0 450.608 4.504 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](c3ccccc3)C3CC3)ccc2C)cc1 ZINC001441014379 1066000537 /nfs/dbraw/zinc/00/05/37/1066000537.db2.gz UPKCGEIHCFODSD-XMMPIXPASA-N 0 0 450.560 4.686 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3cccs3)C(C)C)n2CCC(=O)N(C)C)c1C ZINC001360870024 1066000810 /nfs/dbraw/zinc/00/08/10/1066000810.db2.gz MAEXHYQEVPQKTP-FQEVSTJZSA-N 0 0 469.655 4.990 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)ccc2OC)cc1 ZINC001441016711 1066000879 /nfs/dbraw/zinc/00/08/79/1066000879.db2.gz GAIKRJKXGBELGQ-GOSISDBHSA-N 0 0 450.482 4.858 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)c1C ZINC001360870150 1066001033 /nfs/dbraw/zinc/00/10/33/1066001033.db2.gz VRCBSZFGZTYCFE-BJKOFHAPSA-N 0 0 497.684 4.690 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCc2cccnc2)c1C ZINC001360870149 1066001239 /nfs/dbraw/zinc/00/12/39/1066001239.db2.gz VPTBHDINEQQZBF-LJQANCHMSA-N 0 0 480.016 4.696 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2c1 ZINC001441018153 1066001355 /nfs/dbraw/zinc/00/13/55/1066001355.db2.gz YEGFPOVZVYGLCW-HYBUGGRVSA-N 0 0 454.929 4.819 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(F)c3)ccc2c1 ZINC001441018161 1066001406 /nfs/dbraw/zinc/00/14/06/1066001406.db2.gz YEGFPOVZVYGLCW-YKSBVNFPSA-N 0 0 454.929 4.819 20 0 JJADRN C/C(=C/C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1C(F)(F)F ZINC001441023542 1066001796 /nfs/dbraw/zinc/00/17/96/1066001796.db2.gz AUYCOFMBVKBLNH-QBFSEMIESA-N 0 0 455.274 4.968 20 0 JJADRN COc1cc(CNC(=O)c2cccn3cc(C(F)(F)F)nc23)ccc1OCc1ccccc1 ZINC001441029024 1066002091 /nfs/dbraw/zinc/00/20/91/1066002091.db2.gz IESVEKLRIGCXPX-UHFFFAOYSA-N 0 0 455.436 4.871 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC001441033322 1066002268 /nfs/dbraw/zinc/00/22/68/1066002268.db2.gz YPSANDAXXIYDSO-FQEVSTJZSA-N 0 0 451.489 4.789 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001441035607 1066002718 /nfs/dbraw/zinc/00/27/18/1066002718.db2.gz XVUKQONOTDQRIX-UHFFFAOYSA-N 0 0 452.382 4.931 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 ZINC001360870633 1066002748 /nfs/dbraw/zinc/00/27/48/1066002748.db2.gz CGTOTGRCCVMOKA-UHFFFAOYSA-N 0 0 451.523 4.533 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CC(F)C3)n2CCc2nccnc2C)c1C ZINC001360870552 1066002782 /nfs/dbraw/zinc/00/27/82/1066002782.db2.gz YDHYHHUUFLFJSP-QNGMFEMESA-N 0 0 452.578 4.560 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001441044786 1066002984 /nfs/dbraw/zinc/00/29/84/1066002984.db2.gz QIJKXOCQPKRXRT-SFHVURJKSA-N 0 0 454.445 4.671 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCOCC(F)F)c1C ZINC001360870683 1066003352 /nfs/dbraw/zinc/00/33/52/1066003352.db2.gz PVAMQSPPOQWGLG-XYJFISCASA-N 0 0 454.587 4.647 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001441045258 1066003513 /nfs/dbraw/zinc/00/35/13/1066003513.db2.gz AQZPXHAQWXBIES-DNVCBOLYSA-N 0 0 450.366 4.964 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001441047420 1066003521 /nfs/dbraw/zinc/00/35/21/1066003521.db2.gz YYSMEWMLJUBJEJ-LJQANCHMSA-N 0 0 457.412 4.701 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360870982 1066004125 /nfs/dbraw/zinc/00/41/25/1066004125.db2.gz RWUOZYGUYAQQHM-MZKRTTBSSA-N 0 0 469.674 4.628 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCOC[C@H]2CCOC2)c1C ZINC001360870943 1066004206 /nfs/dbraw/zinc/00/42/06/1066004206.db2.gz RCKPTOVYSAFKIZ-WNXIRNOKSA-N 0 0 470.658 4.960 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001441053390 1066004238 /nfs/dbraw/zinc/00/42/38/1066004238.db2.gz WRWHNBGEHUEIQM-OAQYLSRUSA-N 0 0 451.571 4.935 20 0 JJADRN C/C(=C/C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1cccc(C(F)(F)F)c1 ZINC001441051237 1066004345 /nfs/dbraw/zinc/00/43/45/1066004345.db2.gz ATRXLXUACHZXEG-VKAVYKQESA-N 0 0 456.468 4.503 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001441052535 1066004370 /nfs/dbraw/zinc/00/43/70/1066004370.db2.gz SIDJCEVDJSLRQW-LJQANCHMSA-N 0 0 451.958 4.651 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)s1 ZINC001441055893 1066004896 /nfs/dbraw/zinc/00/48/96/1066004896.db2.gz RHGPMRPNVSSTHD-UHFFFAOYSA-N 0 0 454.518 4.665 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC2CCCC2)c1C ZINC001360871599 1066005595 /nfs/dbraw/zinc/00/55/95/1066005595.db2.gz XYPJPWODVVYTPI-PZJWPPBQSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCCNC(=O)C(C)C)c1C ZINC001360871758 1066005920 /nfs/dbraw/zinc/00/59/20/1066005920.db2.gz ZYXJKLDXLAHRAG-IBGZPJMESA-N 0 0 493.574 4.896 20 0 JJADRN C[C@@H](C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)n1cccc1 ZINC001441081676 1066006180 /nfs/dbraw/zinc/00/61/80/1066006180.db2.gz HETCKNJSCNEYBS-AWEZNQCLSA-N 0 0 453.848 4.982 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001441075716 1066006194 /nfs/dbraw/zinc/00/61/94/1066006194.db2.gz HGSPLTDTQDFECU-HXUWFJFHSA-N 0 0 452.551 4.785 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001360872117 1066006255 /nfs/dbraw/zinc/00/62/55/1066006255.db2.gz HPHNURBYLUEEHB-GOSISDBHSA-N 0 0 457.502 4.649 20 0 JJADRN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OCCC(C)C ZINC001360872309 1066006397 /nfs/dbraw/zinc/00/63/97/1066006397.db2.gz NCOIQAVVCPRVIL-UHFFFAOYSA-N 0 0 450.626 4.908 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001360872549 1066006411 /nfs/dbraw/zinc/00/64/11/1066006411.db2.gz TVIPTRKEAGTQOH-QGZVFWFLSA-N 0 0 457.477 4.532 20 0 JJADRN CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001441086241 1066006477 /nfs/dbraw/zinc/00/64/77/1066006477.db2.gz JEIOTBDWVQGASI-QGZVFWFLSA-N 0 0 455.393 4.954 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CCCc4c(F)cccc4F)CC3)n2)cc1 ZINC001441087197 1066006553 /nfs/dbraw/zinc/00/65/53/1066006553.db2.gz DEPPIRUUGPNRPG-SFHVURJKSA-N 0 0 454.521 4.551 20 0 JJADRN O=C(c1ccccc1O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001441099574 1066007364 /nfs/dbraw/zinc/00/73/64/1066007364.db2.gz FECDDMSTJDYQNO-UHFFFAOYSA-N 0 0 457.393 4.841 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1C ZINC001360872942 1066007625 /nfs/dbraw/zinc/00/76/25/1066007625.db2.gz CWGXALASRXLDJQ-UXHICEINSA-N 0 0 469.630 4.938 20 0 JJADRN O=C(Nc1cccc(CN2CCCC2=O)c1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001441099332 1066007574 /nfs/dbraw/zinc/00/75/74/1066007574.db2.gz QDHHYNGMODHHNJ-UHFFFAOYSA-N 0 0 455.440 4.614 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccco1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001441104411 1066007905 /nfs/dbraw/zinc/00/79/05/1066007905.db2.gz ZFSNKRBXWHRVFG-SFHVURJKSA-N 0 0 452.938 4.548 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](c4ccco4)C3)n2CCC(=O)NC(C)C)c1C ZINC001360873072 1066007966 /nfs/dbraw/zinc/00/79/66/1066007966.db2.gz DYDFIJPWOMZSCU-RTWAWAEBSA-N 0 0 465.598 4.537 20 0 JJADRN Cn1ncc(C2CCC2)c1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441108133 1066008209 /nfs/dbraw/zinc/00/82/09/1066008209.db2.gz JTDDFZOLASZALC-UHFFFAOYSA-N 0 0 453.970 4.555 20 0 JJADRN O=C(c1nc2cnccc2s1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441108243 1066008442 /nfs/dbraw/zinc/00/84/42/1066008442.db2.gz KQEVNUHLOQQSHP-UHFFFAOYSA-N 0 0 453.951 4.558 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCCC(C)C)c1C ZINC001360873465 1066008941 /nfs/dbraw/zinc/00/89/41/1066008941.db2.gz HOWLSXZYJNBKDP-QFIPXVFZSA-N 0 0 482.673 4.855 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2CCS(=O)(=O)CC2)c1C ZINC001360873444 1066008954 /nfs/dbraw/zinc/00/89/54/1066008954.db2.gz FLGJVOVMWITMEA-FYYLOGMGSA-N 0 0 488.698 4.732 20 0 JJADRN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441120593 1066009200 /nfs/dbraw/zinc/00/92/00/1066009200.db2.gz WFHLYOVDHRDLAU-UHFFFAOYSA-N 0 0 454.905 4.768 20 0 JJADRN Cc1nc(NC(=O)/C(=C/c2cccc(Cl)c2)c2cccs2)sc1SCC(N)=O ZINC001441120424 1066009231 /nfs/dbraw/zinc/00/92/31/1066009231.db2.gz AGJTWWCIRXBJDK-NTEUORMPSA-N 0 0 450.010 4.923 20 0 JJADRN Cc1nc(NC(=O)/C(=C\c2cccc(Cl)c2)c2cccs2)sc1SCC(N)=O ZINC001441120765 1066009286 /nfs/dbraw/zinc/00/92/86/1066009286.db2.gz AGJTWWCIRXBJDK-ZROIWOOFSA-N 0 0 450.010 4.923 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCCOC(F)F)c1C ZINC001360873522 1066009210 /nfs/dbraw/zinc/00/92/10/1066009210.db2.gz IIGIQDMSAQMLQS-CTNGQTDRSA-N 0 0 478.584 4.917 20 0 JJADRN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC001441133952 1066010097 /nfs/dbraw/zinc/01/00/97/1066010097.db2.gz BPSNDGJWHMXWKF-UHFFFAOYSA-N 0 0 451.495 4.980 20 0 JJADRN O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001441136431 1066010211 /nfs/dbraw/zinc/01/02/11/1066010211.db2.gz HVQKMRQKVPVIRY-UHFFFAOYSA-N 0 0 453.269 4.949 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2=CCCCC2)c1C ZINC001360873635 1066010353 /nfs/dbraw/zinc/01/03/53/1066010353.db2.gz HGXQSTYJJIZKBN-IRLDBZIGSA-N 0 0 451.615 4.627 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2CCCCC2)c1C ZINC001360873644 1066010384 /nfs/dbraw/zinc/01/03/84/1066010384.db2.gz HNRSADJOPPTKCT-FQEVSTJZSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)cc2c1Br ZINC001441143155 1066010495 /nfs/dbraw/zinc/01/04/95/1066010495.db2.gz XTRWPHRYIDRZTI-UHFFFAOYSA-N 0 0 454.246 4.783 20 0 JJADRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001441158426 1066010907 /nfs/dbraw/zinc/01/09/07/1066010907.db2.gz ZUNJZFVNBLENDQ-PBASOCQRSA-N 0 0 458.599 4.811 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)NCc2cc3cccnc3cc2Br)o1 ZINC001545938963 1066010950 /nfs/dbraw/zinc/01/09/50/1066010950.db2.gz LLWDNRDETHEJPB-UHFFFAOYSA-N 0 0 457.353 4.546 20 0 JJADRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001441158424 1066010994 /nfs/dbraw/zinc/01/09/94/1066010994.db2.gz ZUNJZFVNBLENDQ-HZEGPAAWSA-N 0 0 458.599 4.811 20 0 JJADRN CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1 ZINC001441167047 1066011018 /nfs/dbraw/zinc/01/10/18/1066011018.db2.gz BACHBZGZOKQPMR-UHFFFAOYSA-N 0 0 450.485 4.608 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)c(C)c1 ZINC001441172460 1066011538 /nfs/dbraw/zinc/01/15/38/1066011538.db2.gz GVUJZIKVFKJFKV-UHFFFAOYSA-N 0 0 451.567 4.620 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC2(C)CC2)c1C ZINC001360874094 1066011866 /nfs/dbraw/zinc/01/18/66/1066011866.db2.gz MMCJMLKSNREQAQ-FQEVSTJZSA-N 0 0 453.631 4.530 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC2CCCCC2)c1C ZINC001360874219 1066012306 /nfs/dbraw/zinc/01/23/06/1066012306.db2.gz KXOZJFRWSBNGHZ-IRLDBZIGSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCCC(C)(C)C)c1C ZINC001360874206 1066012337 /nfs/dbraw/zinc/01/23/37/1066012337.db2.gz KTIGEIHCOLFKRD-HMXCVIKNSA-N 0 0 456.587 4.975 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC2=CCCCC2)c1C ZINC001360874252 1066012799 /nfs/dbraw/zinc/01/27/99/1066012799.db2.gz LIRRAKQXZMVOJH-IFMALSPDSA-N 0 0 451.615 4.627 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001441186376 1066012952 /nfs/dbraw/zinc/01/29/52/1066012952.db2.gz HMIXMGZHHMHDQE-YTTGMZPUSA-N 0 0 456.608 4.749 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360874310 1066013025 /nfs/dbraw/zinc/01/30/25/1066013025.db2.gz ODWFMUSOMPAIPB-INIZCTEOSA-N 0 0 488.501 4.974 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3coc4cc(O)ccc43)c2)c1C(F)(F)F ZINC001441186395 1066013111 /nfs/dbraw/zinc/01/31/11/1066013111.db2.gz HOPFRMORWSENFI-UHFFFAOYSA-N 0 0 459.380 4.772 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874388 1066013469 /nfs/dbraw/zinc/01/34/69/1066013469.db2.gz MECCOZUSFNHMTQ-CTNGQTDRSA-N 0 0 499.656 4.517 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2coc(Sc3ncccn3)n2)c1)C(=O)OC(C)(C)C ZINC001441192479 1066013993 /nfs/dbraw/zinc/01/39/93/1066013993.db2.gz YUZWACGBGFMYCT-UHFFFAOYSA-N 0 0 455.540 4.625 20 0 JJADRN CCN(Cc1cccc(NC(=O)C[C@@H](c2nccn2C)C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001441192446 1066014188 /nfs/dbraw/zinc/01/41/88/1066014188.db2.gz YOLLYNKCRNCGCS-KRWDZBQOSA-N 0 0 454.493 4.852 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(CNC(=O)C4)CC3)n2CC(C)(C)C(F)(F)F)c1C ZINC001360874634 1066014599 /nfs/dbraw/zinc/01/45/99/1066014599.db2.gz NQNDEPQUQHVIDS-SFHVURJKSA-N 0 0 493.574 4.730 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874729 1066014939 /nfs/dbraw/zinc/01/49/39/1066014939.db2.gz OENHJXUBEOXPJW-GGAORHGYSA-N 0 0 495.672 4.580 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2cccs2)c1C ZINC001360874822 1066015451 /nfs/dbraw/zinc/01/54/51/1066015451.db2.gz UUHSFMLMMAWBTC-FQEVSTJZSA-N 0 0 481.666 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874905 1066015474 /nfs/dbraw/zinc/01/54/74/1066015474.db2.gz PDTBLELXSGOIGI-LJQANCHMSA-N 0 0 455.603 4.502 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN2CCOCC2)c1C ZINC001360875028 1066016019 /nfs/dbraw/zinc/01/60/19/1066016019.db2.gz WPJVCJAEEJWOCF-GMAHTHKFSA-N 0 0 469.674 4.630 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360875081 1066016368 /nfs/dbraw/zinc/01/63/68/1066016368.db2.gz PXCVBFZCQLNCSN-WMZOPIPTSA-N 0 0 497.384 4.948 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)c1C ZINC001360875076 1066016478 /nfs/dbraw/zinc/01/64/78/1066016478.db2.gz PTFOJNGZRZAEPJ-RTWAWAEBSA-N 0 0 491.627 4.770 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2([S@](C)=O)CCC2)c1C ZINC001360875121 1066016871 /nfs/dbraw/zinc/01/68/71/1066016871.db2.gz QOSZIVZOGYRIOE-OKZYMOFSSA-N 0 0 480.625 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@H]2CCCO2)c1C ZINC001360875101 1066016883 /nfs/dbraw/zinc/01/68/83/1066016883.db2.gz QCWYEEOZPLTEMI-YPAWHYETSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H]2CSCCS2)c1C ZINC001360875207 1066016894 /nfs/dbraw/zinc/01/68/94/1066016894.db2.gz XRJHLQLCULSXCS-IAGOWNOFSA-N 0 0 454.612 4.729 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441234481 1066017358 /nfs/dbraw/zinc/01/73/58/1066017358.db2.gz CARJJSZAGOWQBC-IBGZPJMESA-N 0 0 456.414 4.742 20 0 JJADRN Cn1cnnc1-c1cccc(NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1 ZINC001441237791 1066018188 /nfs/dbraw/zinc/01/81/88/1066018188.db2.gz DOICZDMHFWGDPC-DEOSSOPVSA-N 0 0 456.546 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1Cc1cc(C)cc(OC)c1 ZINC001545939616 1066018398 /nfs/dbraw/zinc/01/83/98/1066018398.db2.gz GMWVWBLSKCNMRS-UHFFFAOYSA-N 0 0 473.687 4.674 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545939650 1066018568 /nfs/dbraw/zinc/01/85/68/1066018568.db2.gz HKVPLOZXHBOPEE-CVDCTZTESA-N 0 0 465.708 4.656 20 0 JJADRN O=C(CCC(=O)Nc1cccc(Oc2cnccn2)c1)Nc1nnc(C2CCCCC2)s1 ZINC001441240906 1066018632 /nfs/dbraw/zinc/01/86/32/1066018632.db2.gz JOITWTCRRQCPIB-UHFFFAOYSA-N 0 0 452.540 4.526 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360875632 1066018593 /nfs/dbraw/zinc/01/85/93/1066018593.db2.gz WOPXYVDUNYEGBA-DHIUTWEWSA-N 0 0 477.653 4.963 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001545939635 1066018669 /nfs/dbraw/zinc/01/86/69/1066018669.db2.gz HCRAIPUIPYJFJM-OAQYLSRUSA-N 0 0 498.741 4.978 20 0 JJADRN O=C(N[C@@H](C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1)OCc1ccccc1 ZINC001441242462 1066018944 /nfs/dbraw/zinc/01/89/44/1066018944.db2.gz LISICZOMOFPNLK-XMMPIXPASA-N 0 0 454.486 4.875 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC001441242586 1066019026 /nfs/dbraw/zinc/01/90/26/1066019026.db2.gz ADJMZMAQOUPJHG-RTCDDDCJSA-N 0 0 454.611 4.784 20 0 JJADRN CC[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC001360876016 1066019953 /nfs/dbraw/zinc/01/99/53/1066019953.db2.gz FOCUWTSJWCSJEA-KRWDZBQOSA-N 0 0 453.530 4.601 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001360875902 1066020227 /nfs/dbraw/zinc/02/02/27/1066020227.db2.gz AYPBFLBECBGOFL-WFASDCNBSA-N 0 0 459.490 4.857 20 0 JJADRN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441249617 1066020308 /nfs/dbraw/zinc/02/03/08/1066020308.db2.gz DOQKWPCQBKTAQJ-AUSIDOKSSA-N 0 0 453.583 4.672 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)cc2)cc1 ZINC001441247080 1066020395 /nfs/dbraw/zinc/02/03/95/1066020395.db2.gz UDBMKZXODDWTTF-NWVWQQAFSA-N 0 0 456.608 4.927 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001360876202 1066020610 /nfs/dbraw/zinc/02/06/10/1066020610.db2.gz KSUSUHYBMUNJHQ-CVDCTZTESA-N 0 0 454.533 4.966 20 0 JJADRN CC[C@H]1CCCN(C(=O)[C@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001441250847 1066020699 /nfs/dbraw/zinc/02/06/99/1066020699.db2.gz UWVLYUMGMLJVRK-DFBJGRDBSA-N 0 0 450.579 4.579 20 0 JJADRN COc1c(C)ccc(NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1C ZINC001441251803 1066020826 /nfs/dbraw/zinc/02/08/26/1066020826.db2.gz QORJZZKTFAQPMK-CQSZACIVSA-N 0 0 451.308 4.968 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCOC(C)C)c1C ZINC001360876706 1066021107 /nfs/dbraw/zinc/02/11/07/1066021107.db2.gz AAZYXNNINMNNOF-OAQYLSRUSA-N 0 0 499.059 4.835 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC001360876748 1066021138 /nfs/dbraw/zinc/02/11/38/1066021138.db2.gz AOWBQJGOLCAYLY-ZGXWSNOMSA-N 0 0 493.574 4.995 20 0 JJADRN O=C(c1ccccc1CCC(F)(F)F)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441256150 1066021922 /nfs/dbraw/zinc/02/19/22/1066021922.db2.gz PGXDOUBDRNZQRB-UHFFFAOYSA-N 0 0 458.402 4.799 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360876892 1066021973 /nfs/dbraw/zinc/02/19/73/1066021973.db2.gz CWQHBHVPUFVPRN-WOJBJXKFSA-N 0 0 475.584 4.529 20 0 JJADRN O=C(c1cc2c(cncc2Cl)s1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441276591 1066022231 /nfs/dbraw/zinc/02/22/31/1066022231.db2.gz IGDVGLACBRJJSI-UHFFFAOYSA-N 0 0 453.873 4.567 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441281510 1066022260 /nfs/dbraw/zinc/02/22/60/1066022260.db2.gz APIHFYACNDUNOX-KRWDZBQOSA-N 0 0 452.551 4.808 20 0 JJADRN COc1ccc(NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)cc1OCc1cccnc1 ZINC001441280352 1066022274 /nfs/dbraw/zinc/02/22/74/1066022274.db2.gz PDKVUIROZQHYOB-VQTJNVASSA-N 0 0 451.489 4.707 20 0 JJADRN CC(C)(C)c1nc2cc(NC(=O)c3cc(F)cc(I)c3N)ccc2o1 ZINC001441279970 1066022301 /nfs/dbraw/zinc/02/23/01/1066022301.db2.gz NTLFFMAFRXDLPD-UHFFFAOYSA-N 0 0 453.255 4.704 20 0 JJADRN O=C(c1csc(C2CCCCC2)n1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441276874 1066022329 /nfs/dbraw/zinc/02/23/29/1066022329.db2.gz JPRLUKVCOCISGI-UHFFFAOYSA-N 0 0 451.514 4.808 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc2)CC1 ZINC001441280043 1066022361 /nfs/dbraw/zinc/02/23/61/1066022361.db2.gz OCEQSDYWYUMDAJ-UHFFFAOYSA-N 0 0 455.580 4.798 20 0 JJADRN CCCCc1ccc(CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)cc1 ZINC001360877264 1066022516 /nfs/dbraw/zinc/02/25/16/1066022516.db2.gz BRWJDLGYCNFHDZ-UHFFFAOYSA-N 0 0 450.579 4.626 20 0 JJADRN COc1cc(NC(=O)c2coc3cc(O)ccc23)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441291639 1066022658 /nfs/dbraw/zinc/02/26/58/1066022658.db2.gz SGXWGIVTCGIPNE-GASCZTMLSA-N 0 0 452.507 4.811 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC001441288669 1066022728 /nfs/dbraw/zinc/02/27/28/1066022728.db2.gz BRVVAAYCBHKMBE-UHFFFAOYSA-N 0 0 455.443 4.958 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@]2(C)CCCO2)c1C ZINC001360877361 1066022933 /nfs/dbraw/zinc/02/29/33/1066022933.db2.gz KLVNPENFCGQYAJ-NRYAXDJKSA-N 0 0 495.590 4.677 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1Cl ZINC001441292995 1066023160 /nfs/dbraw/zinc/02/31/60/1066023160.db2.gz GITCWQIUKGRGKJ-JOCHJYFZSA-N 0 0 458.002 4.580 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1c(F)cccc1F ZINC001441292618 1066023219 /nfs/dbraw/zinc/02/32/19/1066023219.db2.gz IJMALMLFXMVPCV-SFHVURJKSA-N 0 0 454.857 4.594 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[C@H]2CCCCO2)c1C ZINC001360877664 1066023953 /nfs/dbraw/zinc/02/39/53/1066023953.db2.gz NMRPNCCUWBVADP-NHCUHLMSSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)c2cccs2)c1C ZINC001360877822 1066023960 /nfs/dbraw/zinc/02/39/60/1066023960.db2.gz OEZXFMFUYLQQMV-UXHICEINSA-N 0 0 481.666 4.776 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[C@H]2CCCCO2)c1C ZINC001360877663 1066024064 /nfs/dbraw/zinc/02/40/64/1066024064.db2.gz NMRPNCCUWBVADP-LEWJYISDSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cc(C)n(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)n1 ZINC001441305367 1066024313 /nfs/dbraw/zinc/02/43/13/1066024313.db2.gz FJKQCDHZXCZYGF-RUZDIDTESA-N 0 0 454.530 4.695 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCSC2(C)C)c1C ZINC001360877846 1066024484 /nfs/dbraw/zinc/02/44/84/1066024484.db2.gz OONXHRVEELDNMA-YADHBBJMSA-N 0 0 499.725 4.871 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC001441309530 1066024435 /nfs/dbraw/zinc/02/44/35/1066024435.db2.gz KWAFLGATVARKRX-UHFFFAOYSA-N 0 0 456.999 4.959 20 0 JJADRN O=C(NCc1cccnc1OC1CCCC1)c1ccc(I)c(Cl)c1 ZINC001441311678 1066024851 /nfs/dbraw/zinc/02/48/51/1066024851.db2.gz MLHWLIVLJKSTAX-UHFFFAOYSA-N 0 0 456.711 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CC(C)C)c1C ZINC001360878298 1066025355 /nfs/dbraw/zinc/02/53/55/1066025355.db2.gz UENOHPDNFAUPOG-QGZVFWFLSA-N 0 0 462.520 4.926 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CCC=CO2)c1C ZINC001360878291 1066025539 /nfs/dbraw/zinc/02/55/39/1066025539.db2.gz UCGOTGSRWAVZEM-PKTZIBPZSA-N 0 0 497.640 4.642 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CCCC2CCOCC2)c1C ZINC001360878252 1066025587 /nfs/dbraw/zinc/02/55/87/1066025587.db2.gz SOHHAMFVLPBNKD-OAQYLSRUSA-N 0 0 491.627 4.629 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001441318274 1066027292 /nfs/dbraw/zinc/02/72/92/1066027292.db2.gz KCZHXDQQNGVTTQ-RXVVDRJESA-N 0 0 450.888 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2cccc(COCc3ccco3)c2)CC[C@H]1C1CC1 ZINC001441320086 1066027402 /nfs/dbraw/zinc/02/74/02/1066027402.db2.gz ZURKNXITDYXESG-XZOQPEGZSA-N 0 0 454.567 4.791 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCSCC(C)C)c1C ZINC001360878914 1066027780 /nfs/dbraw/zinc/02/77/80/1066027780.db2.gz CAXOMFMGNUFQJF-URXFXBBRSA-N 0 0 498.697 4.736 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2C[C@](C)(O)c2ccsc2)c1C ZINC001360878875 1066027883 /nfs/dbraw/zinc/02/78/83/1066027883.db2.gz BPGDBXOEBLTONJ-PDOGEWKWSA-N 0 0 472.680 4.946 20 0 JJADRN Cc1cccc([C@@H](CNC(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)N2CCOCC2)c1 ZINC001441321700 1066027798 /nfs/dbraw/zinc/02/77/98/1066027798.db2.gz VVIORRIVJKOMHS-NNVROAHOSA-N 0 0 454.439 4.653 20 0 JJADRN COc1cc(NC(=O)[C@@H](CC(C)C)n2ccnc2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441321923 1066027808 /nfs/dbraw/zinc/02/78/08/1066027808.db2.gz LWFRUVDYDRISAB-LVCYWYKZSA-N 0 0 456.587 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCCn1ccc2ccccc21 ZINC001545940251 1066027861 /nfs/dbraw/zinc/02/78/61/1066027861.db2.gz VKVSUBNUHHQGJK-OALUTQOASA-N 0 0 468.671 4.572 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CCCC(F)(F)F)c1C ZINC001360878982 1066028023 /nfs/dbraw/zinc/02/80/23/1066028023.db2.gz DHTIPVYIEJJFKJ-WIYYLYMNSA-N 0 0 492.546 4.689 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@@H]3C)n2CCCOC2CCOCC2)c1C ZINC001360879059 1066028172 /nfs/dbraw/zinc/02/81/72/1066028172.db2.gz FLVFDOXDQUKZCC-PZJWPPBQSA-N 0 0 474.671 4.562 20 0 JJADRN Cc1noc(C)c1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360879043 1066028250 /nfs/dbraw/zinc/02/82/50/1066028250.db2.gz FFHMVUGWXKXWNC-VQTJNVASSA-N 0 0 453.587 4.692 20 0 JJADRN CCCCn1ncc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)c1C ZINC001441323447 1066028357 /nfs/dbraw/zinc/02/83/57/1066028357.db2.gz NMWFNFHDLRVIBX-IAGOWNOFSA-N 0 0 456.587 4.664 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@@H]3C)n2Cc2nccc(C(F)F)n2)c1C ZINC001360879083 1066028498 /nfs/dbraw/zinc/02/84/98/1066028498.db2.gz FUSXBDINTDPFGC-RDJZCZTQSA-N 0 0 474.581 4.753 20 0 JJADRN CO[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1Br ZINC001441323610 1066028479 /nfs/dbraw/zinc/02/84/79/1066028479.db2.gz DFBAMWFNEFJXBE-PMACEKPBSA-N 0 0 451.792 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1Cc1ccccc1COC ZINC001545940294 1066028602 /nfs/dbraw/zinc/02/86/02/1066028602.db2.gz WWWFWEMSRQRNAX-UHFFFAOYSA-N 0 0 485.698 4.647 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2ncccc2N(C)C)c1C ZINC001360879135 1066028997 /nfs/dbraw/zinc/02/89/97/1066028997.db2.gz GXWWXCDVCAGENU-LEWJYISDSA-N 0 0 478.641 4.548 20 0 JJADRN C[C@@H](Nc1ccc(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1Cl)c1ccccc1 ZINC001441328746 1066029048 /nfs/dbraw/zinc/02/90/48/1066029048.db2.gz QYGGHMYCIWRQJQ-AEFFLSMTSA-N 0 0 451.958 4.628 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2(O)CCCC2)c1C ZINC001360879213 1066029610 /nfs/dbraw/zinc/02/96/10/1066029610.db2.gz IAUBVKGCNATGLV-HFZDXXHNSA-N 0 0 470.658 4.981 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545940407 1066029896 /nfs/dbraw/zinc/02/98/96/1066029896.db2.gz ZCGVUVGAZQEQSO-ROUUACIJSA-N 0 0 473.687 4.513 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441336194 1066029918 /nfs/dbraw/zinc/02/99/18/1066029918.db2.gz AQDQMTDHVPSDNH-BEFAXECRSA-N 0 0 455.908 4.940 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545940408 1066030009 /nfs/dbraw/zinc/03/00/09/1066030009.db2.gz ZCGVUVGAZQEQSO-ZWKOTPCHSA-N 0 0 473.687 4.513 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441336196 1066030035 /nfs/dbraw/zinc/03/00/35/1066030035.db2.gz AQDQMTDHVPSDNH-DNVCBOLYSA-N 0 0 455.908 4.940 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCOC[C@H]2C)c1C ZINC001360879466 1066030367 /nfs/dbraw/zinc/03/03/67/1066030367.db2.gz LKVJSSRJQFOFES-YJMBLLCNSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC4(CCOCC4)C3)n2CCCCOC(C)C)c1C ZINC001360879486 1066030648 /nfs/dbraw/zinc/03/06/48/1066030648.db2.gz LRIPRHMDMCCLBG-QHCPKHFHSA-N 0 0 486.657 4.626 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)c1C ZINC001360879714 1066031188 /nfs/dbraw/zinc/03/11/88/1066031188.db2.gz OXIOPGSEUYXAFA-FPOVZHCZSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)Cc1csc2ccccc12 ZINC001441346298 1066031497 /nfs/dbraw/zinc/03/14/97/1066031497.db2.gz DADMZDWZXSBAJI-UHFFFAOYSA-N 0 0 452.395 4.648 20 0 JJADRN Cc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC001441345846 1066031575 /nfs/dbraw/zinc/03/15/75/1066031575.db2.gz FNDDYIZTGDDMNA-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC001441349417 1066031615 /nfs/dbraw/zinc/03/16/15/1066031615.db2.gz QXKWONOZEOFPTF-VLGSPTGOSA-N 0 0 450.560 4.932 20 0 JJADRN Cc1ccc(NC(=O)Cc2c(C)cc(N(C)C)cc2C)cc1NS(=O)(=O)c1ccccc1 ZINC001441351458 1066031972 /nfs/dbraw/zinc/03/19/72/1066031972.db2.gz JUBDJENOLSDSAX-UHFFFAOYSA-N 0 0 451.592 4.660 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)c1C ZINC001360880161 1066032295 /nfs/dbraw/zinc/03/22/95/1066032295.db2.gz XCWVIPYCUOCIGM-BDTNDASRSA-N 0 0 499.656 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCSC(C)C)c1C ZINC001360880054 1066032470 /nfs/dbraw/zinc/03/24/70/1066032470.db2.gz VHVZCCDNDKUCCV-DNRQZRRGSA-N 0 0 474.671 4.561 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCSc2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC001441355128 1066032712 /nfs/dbraw/zinc/03/27/12/1066032712.db2.gz RXDHAONWLZUYQB-RDGATRHJSA-N 0 0 454.636 4.992 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2cn[nH]c2)c1C ZINC001360880359 1066033239 /nfs/dbraw/zinc/03/32/39/1066033239.db2.gz ZWGCHHVWGOPZCE-IBVKSMDESA-N 0 0 466.630 4.642 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001441357402 1066033158 /nfs/dbraw/zinc/03/31/58/1066033158.db2.gz QXEAGVCEQKPSHW-JOCHJYFZSA-N 0 0 451.295 4.949 20 0 JJADRN Cc1c(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)cnn1-c1cc(C)ccc1C ZINC001545940707 1066033287 /nfs/dbraw/zinc/03/32/87/1066033287.db2.gz LWOZWINDAWYQIF-UHFFFAOYSA-N 0 0 455.584 4.574 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)CCC(C)C)c1C ZINC001360880767 1066033495 /nfs/dbraw/zinc/03/34/95/1066033495.db2.gz CUKYZOJHAMOBPL-JCISHKRCSA-N 0 0 458.647 4.836 20 0 JJADRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1 ZINC001441358284 1066033587 /nfs/dbraw/zinc/03/35/87/1066033587.db2.gz JQVPQJLYGDHXDV-FNORWQNLSA-N 0 0 452.407 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC001441357701 1066033739 /nfs/dbraw/zinc/03/37/39/1066033739.db2.gz KRFNGJAYVGFVDU-GOSISDBHSA-N 0 0 454.464 4.987 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC(F)(F)Br)c1C ZINC001360881183 1066033953 /nfs/dbraw/zinc/03/39/53/1066033953.db2.gz GVNSSSFHIFKTMM-YUELXQCFSA-N 0 0 461.326 4.817 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4C[C@]3(C)CCC4)n2CCCC(=O)N(C)C)c1C ZINC001360881246 1066034192 /nfs/dbraw/zinc/03/41/92/1066034192.db2.gz JCTWMVYSUBCGMC-YPCDYVTLSA-N 0 0 453.631 4.672 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3cc(F)c(Br)c(Cl)c3)CC2)cc1 ZINC001360881676 1066034382 /nfs/dbraw/zinc/03/43/82/1066034382.db2.gz UXXSMJYYRKOLCU-UHFFFAOYSA-N 0 0 454.771 4.706 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC001441360820 1066034682 /nfs/dbraw/zinc/03/46/82/1066034682.db2.gz MDJPWBJXGVPBLH-UHFFFAOYSA-N 0 0 457.412 4.839 20 0 JJADRN CCCC(=O)NC1CCN(C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)CC1 ZINC001441363745 1066035196 /nfs/dbraw/zinc/03/51/96/1066035196.db2.gz UPUNZAZEWUMLJI-UHFFFAOYSA-N 0 0 453.530 4.967 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(Nc3ccn(C)n3)n2CCOc2ncccc2Cl)c1C ZINC001360881922 1066035075 /nfs/dbraw/zinc/03/50/75/1066035075.db2.gz SCFNPZWBSFCCRQ-KRWDZBQOSA-N 0 0 467.961 4.639 20 0 JJADRN CC1=C(C)CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001360882060 1066035414 /nfs/dbraw/zinc/03/54/14/1066035414.db2.gz WPMNDZDVYZJINV-UHFFFAOYSA-N 0 0 474.609 4.835 20 0 JJADRN Cn1c(C=O)c(Br)cc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC001441367774 1066035388 /nfs/dbraw/zinc/03/53/88/1066035388.db2.gz DGGGHQVEXSBQCE-UHFFFAOYSA-N 0 0 450.308 4.510 20 0 JJADRN COc1ccc2oc(C)c(C(=O)Nc3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)c2c1 ZINC001360882301 1066035719 /nfs/dbraw/zinc/03/57/19/1066035719.db2.gz FMDXNFUTFTXHRT-UHFFFAOYSA-N 0 0 456.564 4.955 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(N(C)CC(C)(C)C)nnc3[C@]3(OC(C)C)CCOC3)cc2c1C ZINC001360882086 1066035823 /nfs/dbraw/zinc/03/58/23/1066035823.db2.gz XLFFJTCYHSCJOL-SANMLTNESA-N 0 0 453.631 4.947 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC001441370338 1066035909 /nfs/dbraw/zinc/03/59/09/1066035909.db2.gz ZGPZEZNNYLXKFX-NRFANRHFSA-N 0 0 451.596 4.562 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cn(C)nc2C2CCCCC2)c1 ZINC001360882604 1066036214 /nfs/dbraw/zinc/03/62/14/1066036214.db2.gz QSZXOCPIBCJMFX-UHFFFAOYSA-N 0 0 458.628 4.673 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCOCC2CCOCC2)CC1 ZINC001360882990 1066036482 /nfs/dbraw/zinc/03/64/82/1066036482.db2.gz HJDLBRSKRUAKAL-OAQYLSRUSA-N 0 0 472.605 4.937 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CCC(C)=C(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001360882955 1066036574 /nfs/dbraw/zinc/03/65/74/1066036574.db2.gz FOZGUVVCYMFJFS-GJZUVCINSA-N 0 0 454.615 4.641 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)CC1 ZINC001360883424 1066036882 /nfs/dbraw/zinc/03/68/82/1066036882.db2.gz RCNRMFULGZYXOH-MRXNPFEDSA-N 0 0 458.488 4.880 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)=C(C)C1 ZINC001360883396 1066036920 /nfs/dbraw/zinc/03/69/20/1066036920.db2.gz QKQINPHTRNVHAE-UHFFFAOYSA-N 0 0 498.425 4.976 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001360883192 1066036982 /nfs/dbraw/zinc/03/69/82/1066036982.db2.gz LPIMQMSWBVHSOK-HSZRJFAPSA-N 0 0 488.405 4.639 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360883244 1066037069 /nfs/dbraw/zinc/03/70/69/1066037069.db2.gz MRCMLOAZUGIZEE-AREMUKBSSA-N 0 0 454.615 4.643 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)C(C)C)CC1 ZINC001360883255 1066037097 /nfs/dbraw/zinc/03/70/97/1066037097.db2.gz MYLJPEXJEBLQQT-IBGZPJMESA-N 0 0 460.022 4.780 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360883453 1066037500 /nfs/dbraw/zinc/03/75/00/1066037500.db2.gz SENDWKMDCZZCLY-QFIPXVFZSA-N 0 0 462.436 4.914 20 0 JJADRN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360883510 1066037534 /nfs/dbraw/zinc/03/75/34/1066037534.db2.gz UUASNQSOSQEXSW-VQTJNVASSA-N 0 0 472.033 4.613 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360883699 1066037929 /nfs/dbraw/zinc/03/79/29/1066037929.db2.gz WSVWHGPTEAYUFB-HSZRJFAPSA-N 0 0 467.658 4.692 20 0 JJADRN CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360883838 1066037969 /nfs/dbraw/zinc/03/79/69/1066037969.db2.gz YPJJXZZLSBBOFI-VWLOTQADSA-N 0 0 473.687 4.862 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001360884717 1066038696 /nfs/dbraw/zinc/03/86/96/1066038696.db2.gz DNFSMNKVHQLIET-HHHXNRCGSA-N 0 0 469.474 4.617 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)c2cc3c([nH]2)c(Cl)ccc3Br)CC1 ZINC001441411864 1066038746 /nfs/dbraw/zinc/03/87/46/1066038746.db2.gz MZCWTKRZYDIAAJ-UHFFFAOYSA-N 0 0 454.796 4.742 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001360884697 1066038801 /nfs/dbraw/zinc/03/88/01/1066038801.db2.gz CQOIQIYJVRHWQS-UHFFFAOYSA-N 0 0 476.448 4.710 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001360884473 1066038850 /nfs/dbraw/zinc/03/88/50/1066038850.db2.gz VJPZLRXKUGHFED-ZQRMPTRQSA-N 0 0 455.643 4.896 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC001441416870 1066039140 /nfs/dbraw/zinc/03/91/40/1066039140.db2.gz GSKJPGJCAXQGFB-UHFFFAOYSA-N 0 0 453.999 4.791 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001360884909 1066039297 /nfs/dbraw/zinc/03/92/97/1066039297.db2.gz LLTKOTPYJKWNDI-SANMLTNESA-N 0 0 454.615 4.722 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC001441417089 1066039301 /nfs/dbraw/zinc/03/93/01/1066039301.db2.gz GNTYGFVBANXMTE-HNNXBMFYSA-N 0 0 451.276 4.561 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441419115 1066039752 /nfs/dbraw/zinc/03/97/52/1066039752.db2.gz JJBZHROWLMHNTJ-OAQYLSRUSA-N 0 0 450.583 4.897 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)CC1 ZINC001441419272 1066039804 /nfs/dbraw/zinc/03/98/04/1066039804.db2.gz XXHMIUSAZDRQJK-UHFFFAOYSA-N 0 0 459.590 4.568 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCNC(=O)C(C)C)CC1 ZINC001360885124 1066040004 /nfs/dbraw/zinc/04/00/04/1066040004.db2.gz UFXYNRKQINNWDP-UHFFFAOYSA-N 0 0 480.838 4.680 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC001441426518 1066040402 /nfs/dbraw/zinc/04/04/02/1066040402.db2.gz UTVKMLQHSNBVAZ-UHFFFAOYSA-N 0 0 456.757 4.882 20 0 JJADRN C[C@H](NC(=O)c1ccc(NCc2nccn2C)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441428584 1066040916 /nfs/dbraw/zinc/04/09/16/1066040916.db2.gz OSQQSVAPMHEPIA-IBGZPJMESA-N 0 0 453.546 4.776 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001360887011 1066041052 /nfs/dbraw/zinc/04/10/52/1066041052.db2.gz LZEOLXLMLDBMHE-QGZVFWFLSA-N 0 0 452.530 4.570 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC001360889156 1066042389 /nfs/dbraw/zinc/04/23/89/1066042389.db2.gz VOAALRSMCMTFFO-UONOGXRCSA-N 0 0 452.407 4.982 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001360890563 1066043136 /nfs/dbraw/zinc/04/31/36/1066043136.db2.gz MGJXVKGTTVMCBU-MSOLQXFVSA-N 0 0 459.077 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001360892125 1066043613 /nfs/dbraw/zinc/04/36/13/1066043613.db2.gz MNAZEPROELTUFK-RUZDIDTESA-N 0 0 452.624 4.990 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CCN2CCOC[C@@H]2C)c1 ZINC001360892124 1066043628 /nfs/dbraw/zinc/04/36/28/1066043628.db2.gz MKBBLCKVZCFEFN-QHCPKHFHSA-N 0 0 467.658 4.556 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CCSc2ccccc2)CC1 ZINC001360892307 1066044084 /nfs/dbraw/zinc/04/40/84/1066044084.db2.gz STAYRNQHHBFKAG-UHFFFAOYSA-N 0 0 453.637 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001545942187 1066044048 /nfs/dbraw/zinc/04/40/48/1066044048.db2.gz MYODZWYCWVFJGJ-DHIUTWEWSA-N 0 0 452.595 4.787 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001360892512 1066044432 /nfs/dbraw/zinc/04/44/32/1066044432.db2.gz BTUXYUHMOPAHMZ-JQXZYWDBSA-N 0 0 499.631 4.642 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NCCNc3ncc(Cl)cc3Cl)c2c1C ZINC001441474517 1066044627 /nfs/dbraw/zinc/04/46/27/1066044627.db2.gz QCWOMFCTAOBSBU-UHFFFAOYSA-N 0 0 456.424 4.639 20 0 JJADRN CCOC(=O)Nc1ccc(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1 ZINC001441478989 1066045424 /nfs/dbraw/zinc/04/54/24/1066045424.db2.gz JWROXVQPVLXXHO-HHHXNRCGSA-N 0 0 453.358 4.544 20 0 JJADRN CCOC(=O)Nc1ccc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1 ZINC001441478990 1066045514 /nfs/dbraw/zinc/04/55/14/1066045514.db2.gz JWROXVQPVLXXHO-MHZLTWQESA-N 0 0 453.358 4.544 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCC(=O)NC(C)C)C2)sc1C ZINC001360893907 1066046158 /nfs/dbraw/zinc/04/61/58/1066046158.db2.gz ACRDKLYUAGCUBR-IBGZPJMESA-N 0 0 487.073 4.971 20 0 JJADRN CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC001441490934 1066046157 /nfs/dbraw/zinc/04/61/57/1066046157.db2.gz HALTXDVAEFXXME-UHFFFAOYSA-N 0 0 458.967 4.778 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCCSCC(C)C)C2)sc1C ZINC001360894169 1066046406 /nfs/dbraw/zinc/04/64/06/1066046406.db2.gz JVNSYXXDMRCPHL-FQEVSTJZSA-N 0 0 490.743 4.751 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC(C)C)C2)sc1C ZINC001360894162 1066046488 /nfs/dbraw/zinc/04/64/88/1066046488.db2.gz JQZDVTGQPSXQIQ-INIZCTEOSA-N 0 0 493.475 4.918 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CCCN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360894273 1066046777 /nfs/dbraw/zinc/04/67/77/1066046777.db2.gz MDOMJQKRVIDEAO-IBGZPJMESA-N 0 0 499.685 4.988 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCO[C@H](c3ccccc3)O2)cc1NC(=O)c1cccc(F)c1 ZINC001441510833 1066047495 /nfs/dbraw/zinc/04/74/95/1066047495.db2.gz STVVYQJNZDALHY-RDGATRHJSA-N 0 0 450.466 4.529 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N(c1cccc(F)c1)C1CCOCC1 ZINC001360895303 1066047719 /nfs/dbraw/zinc/04/77/19/1066047719.db2.gz XPWVBMVIEIPSDR-UHFFFAOYSA-N 0 0 458.125 4.572 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC4CC4)n3CCN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360895549 1066047947 /nfs/dbraw/zinc/04/79/47/1066047947.db2.gz GNLGWAVHFYXJIW-IBGZPJMESA-N 0 0 474.675 4.555 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(Cc4cccnc4)n3C[C@](C)(O)CCC(C)C)C2)sc1C ZINC001360895429 1066048001 /nfs/dbraw/zinc/04/80/01/1066048001.db2.gz BYMDFUXDADMEIL-BKMJKUGQSA-N 0 0 482.698 4.908 20 0 JJADRN C[C@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441526000 1066048425 /nfs/dbraw/zinc/04/84/25/1066048425.db2.gz VGHDJLNKYBTDPR-NPMABZOXSA-N 0 0 458.921 4.524 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCCOCC2)sc1C ZINC001360895712 1066048604 /nfs/dbraw/zinc/04/86/04/1066048604.db2.gz JZUNCAKMRVGFMV-INIZCTEOSA-N 0 0 462.019 4.614 20 0 JJADRN C[C@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441538269 1066049301 /nfs/dbraw/zinc/04/93/01/1066049301.db2.gz VPJOYTGJMGTYAE-LMKMVOKYSA-N 0 0 454.929 4.745 20 0 JJADRN C[C@@H]1CN([C@@H](CNC(=O)CCSc2ccc(F)cc2)c2c(F)cccc2Cl)CCO1 ZINC001441545521 1066049737 /nfs/dbraw/zinc/04/97/37/1066049737.db2.gz VUJMQYAGCXIAJF-QRWLVFNGSA-N 0 0 454.970 4.679 20 0 JJADRN C[C@H]1CN([C@@H](CNC(=O)CCSc2ccc(F)cc2)c2c(F)cccc2Cl)CCO1 ZINC001441545525 1066049849 /nfs/dbraw/zinc/04/98/49/1066049849.db2.gz VUJMQYAGCXIAJF-YWZLYKJASA-N 0 0 454.970 4.679 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2ccc3c(c2)CCN3C)cc1 ZINC001441545411 1066049891 /nfs/dbraw/zinc/04/98/91/1066049891.db2.gz AXBSCNRTEWVONE-UHFFFAOYSA-N 0 0 457.574 4.715 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(Cc4ccccn4)n3CCCCOC(C)C)C2)sc1C ZINC001360896093 1066049779 /nfs/dbraw/zinc/04/97/79/1066049779.db2.gz UGGAFEACICRQMS-NRFANRHFSA-N 0 0 468.671 4.926 20 0 JJADRN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)C1 ZINC001441552471 1066050307 /nfs/dbraw/zinc/05/03/07/1066050307.db2.gz YZGDNRMUXGBULN-INIZCTEOSA-N 0 0 452.294 4.606 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC001441558509 1066050622 /nfs/dbraw/zinc/05/06/22/1066050622.db2.gz TUIIHVHDDJRJID-LOSJGSFVSA-N 0 0 458.558 4.918 20 0 JJADRN Cc1nc(CCn2c(-c3cccnc3)nnc2N(C)CCCOc2ccc(F)cc2)sc1C ZINC001360897739 1066050606 /nfs/dbraw/zinc/05/06/06/1066050606.db2.gz IFRLLTFXCCMHDR-UHFFFAOYSA-N 0 0 466.586 4.701 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2F)C[C@@H](C)O1 ZINC001441558063 1066050661 /nfs/dbraw/zinc/05/06/61/1066050661.db2.gz JSBOBLUBGNVSSW-QZTJIDSGSA-N 0 0 450.510 4.976 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001441556342 1066050804 /nfs/dbraw/zinc/05/08/04/1066050804.db2.gz CCHJGMRUTSWVNH-UHFFFAOYSA-N 0 0 453.967 4.816 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)sc1C ZINC001360897337 1066050770 /nfs/dbraw/zinc/05/07/70/1066050770.db2.gz BVUADVIOXAPUDM-NVXWUHKLSA-N 0 0 461.582 4.964 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2Cl)cc1 ZINC001360898283 1066051064 /nfs/dbraw/zinc/05/10/64/1066051064.db2.gz XVNNVKONCDTGBE-HSZRJFAPSA-N 0 0 450.901 4.896 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1)C(=O)N1CCCC1 ZINC001360898027 1066051139 /nfs/dbraw/zinc/05/11/39/1066051139.db2.gz SXSAIEUKUUYTNG-LJQANCHMSA-N 0 0 452.624 4.673 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)C2)sc1C ZINC001360898766 1066051824 /nfs/dbraw/zinc/05/18/24/1066051824.db2.gz CGUZDFJMQAZCGF-CQSZACIVSA-N 0 0 464.060 4.768 20 0 JJADRN O=C(Cc1nc(C2CCCCC2)cs1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001441574876 1066052072 /nfs/dbraw/zinc/05/20/72/1066052072.db2.gz UFOFXQPRDHIVGJ-UHFFFAOYSA-N 0 0 457.909 4.765 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441593701 1066052437 /nfs/dbraw/zinc/05/24/37/1066052437.db2.gz UJYMQLPHAMJQQC-XQBPLPMBSA-N 0 0 459.631 4.504 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N(C)CCN(C)c2ccccc2)sc1C ZINC001360899510 1066052597 /nfs/dbraw/zinc/05/25/97/1066052597.db2.gz OFVXJHSZMKSAGK-UHFFFAOYSA-N 0 0 452.672 4.899 20 0 JJADRN Cc1nc(CCn2c(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)sc1C ZINC001360899515 1066052712 /nfs/dbraw/zinc/05/27/12/1066052712.db2.gz OMRWLOGLSSOLEL-GOSISDBHSA-N 0 0 476.691 4.633 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360899643 1066053007 /nfs/dbraw/zinc/05/30/07/1066053007.db2.gz PLAMXMKOQLLDKB-FQEVSTJZSA-N 0 0 488.702 4.772 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C)(C)CC2)sc1C ZINC001360900034 1066053511 /nfs/dbraw/zinc/05/35/11/1066053511.db2.gz WEKQPQSTYDSWFY-KDURUIRLSA-N 0 0 488.702 4.991 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2nc(C)ccc2Br)CC1 ZINC001441611098 1066053795 /nfs/dbraw/zinc/05/37/95/1066053795.db2.gz GXMODLVDXXLHMT-LJQANCHMSA-N 0 0 459.384 4.742 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H](CC(C)C)NCC(F)(F)F)CC1 ZINC001441612678 1066053806 /nfs/dbraw/zinc/05/38/06/1066053806.db2.gz JMXLLMBNDUNVSR-RTWAWAEBSA-N 0 0 456.549 4.529 20 0 JJADRN Cc1nc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)sc1C ZINC001360900993 1066054138 /nfs/dbraw/zinc/05/41/38/1066054138.db2.gz BJZNOESAAGHXAX-INIZCTEOSA-N 0 0 459.591 4.542 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](CC(C)C)C2)sc1C ZINC001360901033 1066054219 /nfs/dbraw/zinc/05/42/19/1066054219.db2.gz CMQCGLNZMDSRBJ-LJQANCHMSA-N 0 0 487.073 4.856 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)sc1C ZINC001360901011 1066054246 /nfs/dbraw/zinc/05/42/46/1066054246.db2.gz CANREEBSFGVVJO-UZLBHIALSA-N 0 0 473.618 4.930 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(F)(F)F)C2)sc1C ZINC001360901387 1066054505 /nfs/dbraw/zinc/05/45/05/1066054505.db2.gz PLDTVEYXXPKEQR-LBPRGKRZSA-N 0 0 489.365 4.936 20 0 JJADRN CCCCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC001441616737 1066054567 /nfs/dbraw/zinc/05/45/67/1066054567.db2.gz NNEQWMGSEMQNML-UHFFFAOYSA-N 0 0 452.576 4.905 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(Br)c3)nnc2N2CCOC(C)(C)[C@H]2C)sc1C ZINC001360901545 1066055072 /nfs/dbraw/zinc/05/50/72/1066055072.db2.gz ULRJGORSNIOGRW-OAHLLOKOSA-N 0 0 476.444 4.833 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)sc1C ZINC001360901652 1066055375 /nfs/dbraw/zinc/05/53/75/1066055375.db2.gz XWJCLZBXBUJZKW-NRFANRHFSA-N 0 0 493.475 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CC1 ZINC001441622294 1066055571 /nfs/dbraw/zinc/05/55/71/1066055571.db2.gz JBULKUGDGRPMJS-HXUWFJFHSA-N 0 0 454.523 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCOc3ccc(C(F)(F)F)cc3)CCCC[C@H]12 ZINC001441636807 1066056609 /nfs/dbraw/zinc/05/66/09/1066056609.db2.gz AWLMXANIFWLCSL-PGRDOPGGSA-N 0 0 456.505 4.770 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)sc1C ZINC001360904391 1066057882 /nfs/dbraw/zinc/05/78/82/1066057882.db2.gz HJPOFSKMANENJT-HXUWFJFHSA-N 0 0 460.047 4.895 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3Cl)CC2)sc1C ZINC001360904409 1066057910 /nfs/dbraw/zinc/05/79/10/1066057910.db2.gz HQQQDELCTBRVJU-UHFFFAOYSA-N 0 0 459.063 4.968 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)sc1C ZINC001360904465 1066057938 /nfs/dbraw/zinc/05/79/38/1066057938.db2.gz JIPPLCGHPUUWEH-QGZVFWFLSA-N 0 0 462.623 4.549 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccccc3Br)CC2)sc1C ZINC001360904697 1066058230 /nfs/dbraw/zinc/05/82/30/1066058230.db2.gz CSFGVJPYDSCWFS-UHFFFAOYSA-N 0 0 489.487 4.786 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001441663009 1066059160 /nfs/dbraw/zinc/05/91/60/1066059160.db2.gz HAWGKSCELXAFNQ-UHFFFAOYSA-N 0 0 451.542 4.791 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001441667666 1066059205 /nfs/dbraw/zinc/05/92/05/1066059205.db2.gz POSQTDBZYMQNIV-UHFFFAOYSA-N 0 0 454.543 4.929 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1OCCC(C)C ZINC001441668546 1066059599 /nfs/dbraw/zinc/05/95/99/1066059599.db2.gz DXOHONDLNQOSAZ-INIZCTEOSA-N 0 0 451.523 4.730 20 0 JJADRN Cc1nc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360905327 1066059701 /nfs/dbraw/zinc/05/97/01/1066059701.db2.gz XBTFCGKCUGPQIA-UHFFFAOYSA-N 0 0 483.439 4.784 20 0 JJADRN C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1cccc(-n2cccn2)c1 ZINC001360906390 1066060371 /nfs/dbraw/zinc/06/03/71/1066060371.db2.gz RSIMMHVNWMPODN-KRWDZBQOSA-N 0 0 454.368 4.560 20 0 JJADRN CC(C)(C(=O)NCc1cccc(N2CCOC2=O)c1)c1csc(-c2cc(F)ccc2F)n1 ZINC001441678559 1066060666 /nfs/dbraw/zinc/06/06/66/1066060666.db2.gz CRUODUXDQBUADE-UHFFFAOYSA-N 0 0 457.502 4.639 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](CC(=O)N(C)C)c4cc(Cl)ccc43)o2)cc1 ZINC001360906687 1066060758 /nfs/dbraw/zinc/06/07/58/1066060758.db2.gz JEPXNRHSNHFMIF-SFHVURJKSA-N 0 0 451.954 4.845 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001441684832 1066061079 /nfs/dbraw/zinc/06/10/79/1066061079.db2.gz ZJVDHRNNHJZNNC-HSZRJFAPSA-N 0 0 454.567 4.713 20 0 JJADRN CO[C@@H](C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1C(F)(F)F ZINC001360907096 1066061251 /nfs/dbraw/zinc/06/12/51/1066061251.db2.gz UFKZEWVPAAOEGC-ZUOKHONESA-N 0 0 454.876 4.655 20 0 JJADRN CCc1c(C(=O)N(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)cnn1CCC(C)C ZINC001360907078 1066061405 /nfs/dbraw/zinc/06/14/05/1066061405.db2.gz UCBSQZBXJMNMFD-UHFFFAOYSA-N 0 0 454.663 4.845 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001441690915 1066061519 /nfs/dbraw/zinc/06/15/19/1066061519.db2.gz ZBXJXQHBHAOLST-HXUWFJFHSA-N 0 0 450.457 4.610 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001441690912 1066061660 /nfs/dbraw/zinc/06/16/60/1066061660.db2.gz ZBXJXQHBHAOLST-FQEVSTJZSA-N 0 0 450.457 4.610 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)CC2)sc1C ZINC001360907378 1066061657 /nfs/dbraw/zinc/06/16/57/1066061657.db2.gz DJELRZAYQXAGSP-UHFFFAOYSA-N 0 0 494.587 4.823 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)ccc1OCc1ccncc1 ZINC001441694462 1066061984 /nfs/dbraw/zinc/06/19/84/1066061984.db2.gz ZFRWDZJESMMYPZ-OSPHWJPCSA-N 0 0 453.970 4.803 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCSC(C)C ZINC001360907998 1066062738 /nfs/dbraw/zinc/06/27/38/1066062738.db2.gz XLQSNYZIEFRIGR-MJGOQNOKSA-N 0 0 478.732 4.703 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccccc1F ZINC001441704286 1066062906 /nfs/dbraw/zinc/06/29/06/1066062906.db2.gz SDGRDHAJGGLDOH-UHFFFAOYSA-N 0 0 454.811 4.502 20 0 JJADRN CCCn1cc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1=O ZINC001441703224 1066063008 /nfs/dbraw/zinc/06/30/08/1066063008.db2.gz ORXHQFAPUOYRNP-UHFFFAOYSA-N 0 0 459.546 4.514 20 0 JJADRN O=C(c1ccc2ncc(I)n2c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001441711605 1066063296 /nfs/dbraw/zinc/06/32/96/1066063296.db2.gz NIKSYAZSIYAZGG-HNNXBMFYSA-N 0 0 451.695 4.570 20 0 JJADRN O=C(CCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001441711169 1066063338 /nfs/dbraw/zinc/06/33/38/1066063338.db2.gz QMMNKQJXAFYDKY-BJKOFHAPSA-N 0 0 472.004 4.608 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@H](CCc3ccccc3)c3ccccc3)cc2C=O)cc1 ZINC001441709208 1066063375 /nfs/dbraw/zinc/06/33/75/1066063375.db2.gz CFTJZKVMQWYMEF-AREMUKBSSA-N 0 0 453.542 4.862 20 0 JJADRN Nc1ccc(I)cc1C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC001441711161 1066063407 /nfs/dbraw/zinc/06/34/07/1066063407.db2.gz HUFYNXUQLHXMHL-NRFANRHFSA-N 0 0 456.327 4.977 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360908601 1066064072 /nfs/dbraw/zinc/06/40/72/1066064072.db2.gz NGNZDFRSVFXXHN-UHFFFAOYSA-N 0 0 490.718 4.623 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001441723076 1066064330 /nfs/dbraw/zinc/06/43/30/1066064330.db2.gz KXZCOJMEVNQGEH-HYFFOGBASA-N 0 0 457.615 4.745 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCCC1 ZINC001441729705 1066064786 /nfs/dbraw/zinc/06/47/86/1066064786.db2.gz VLNGJGFAHHQYFB-UHFFFAOYSA-N 0 0 452.555 4.624 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCOCC2)n1C[C@](C)(O)C(C)C ZINC001360908980 1066064958 /nfs/dbraw/zinc/06/49/58/1066064958.db2.gz UCERJXDXGJIPJH-VWLOTQADSA-N 0 0 469.655 4.647 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)C(F)(F)F ZINC001360910476 1066066696 /nfs/dbraw/zinc/06/66/96/1066066696.db2.gz HPLPCZOGDDVLHB-INIZCTEOSA-N 0 0 486.608 4.617 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3CCc3ccccc3)c2)C1 ZINC001441742456 1066066947 /nfs/dbraw/zinc/06/69/47/1066066947.db2.gz MPQBZKIGMQRHMY-ZFGGDYGUSA-N 0 0 454.636 4.591 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cnc2c(c1)NC(=O)CS2 ZINC001441746903 1066067226 /nfs/dbraw/zinc/06/72/26/1066067226.db2.gz JQBMXWHFPVWMIE-UHFFFAOYSA-N 0 0 451.360 4.732 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCCC(C)(C)C2)n1CCC(=O)NC(C)C ZINC001360910874 1066067328 /nfs/dbraw/zinc/06/73/28/1066067328.db2.gz RQULRDDGBREMDR-UHFFFAOYSA-N 0 0 466.655 4.918 20 0 JJADRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2=O ZINC001441745091 1066067442 /nfs/dbraw/zinc/06/74/42/1066067442.db2.gz WXJFAVSVOLRLFO-HTAPYJJXSA-N 0 0 452.382 4.548 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910965 1066067918 /nfs/dbraw/zinc/06/79/18/1066067918.db2.gz UIRRWLPNQWVOSG-IAGOWNOFSA-N 0 0 484.695 4.622 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCCC(C)(C)C ZINC001360911054 1066067931 /nfs/dbraw/zinc/06/79/31/1066067931.db2.gz VGNLAGIWZVWZRI-VWLOTQADSA-N 0 0 466.655 4.905 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1N)NC(=O)OC(C)(C)C ZINC001441757821 1066068305 /nfs/dbraw/zinc/06/83/05/1066068305.db2.gz ZQPRZJYZEDEESJ-HNNXBMFYSA-N 0 0 454.354 4.580 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360911174 1066068362 /nfs/dbraw/zinc/06/83/62/1066068362.db2.gz FAMQZZULABLBGK-PGRDOPGGSA-N 0 0 473.021 4.597 20 0 JJADRN COc1cc(CNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)ccc1OCCO ZINC001441765623 1066068497 /nfs/dbraw/zinc/06/84/97/1066068497.db2.gz LTYSGDGVEYVCMV-UHFFFAOYSA-N 0 0 456.542 4.828 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360911750 1066068905 /nfs/dbraw/zinc/06/89/05/1066068905.db2.gz VSWUSGGYZKRWAR-XMSQKQJNSA-N 0 0 473.021 4.741 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)C2)n1 ZINC001441773451 1066068930 /nfs/dbraw/zinc/06/89/30/1066068930.db2.gz NZQVTIBMLVXNDK-KRWDZBQOSA-N 0 0 456.974 4.519 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(Oc4ccc(Cl)cn4)c3)C2)n1 ZINC001441773183 1066068964 /nfs/dbraw/zinc/06/89/64/1066068964.db2.gz MTEJPIXECRZBPV-SFHVURJKSA-N 0 0 450.926 4.722 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360911749 1066068943 /nfs/dbraw/zinc/06/89/43/1066068943.db2.gz VSWUSGGYZKRWAR-PGRDOPGGSA-N 0 0 473.021 4.741 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1 ZINC001360911785 1066069106 /nfs/dbraw/zinc/06/91/06/1066069106.db2.gz WTZBSCOJPATVND-UHFFFAOYSA-N 0 0 490.406 4.604 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001545944495 1066069260 /nfs/dbraw/zinc/06/92/60/1066069260.db2.gz KACUFGIBFRXFGF-XMTFNYHQSA-N 0 0 489.611 4.857 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3CCCN(C)c4ccc(Cl)cc43)cs2)cc1OC ZINC001360911934 1066069268 /nfs/dbraw/zinc/06/92/68/1066069268.db2.gz BPEXHNWJPRAZKU-UHFFFAOYSA-N 0 0 457.983 4.896 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360912982 1066069441 /nfs/dbraw/zinc/06/94/41/1066069441.db2.gz IYWCDGOTWVXLBH-UHFFFAOYSA-N 0 0 492.937 4.652 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001360912877 1066069471 /nfs/dbraw/zinc/06/94/71/1066069471.db2.gz FMKQPKLMSONDBR-UHFFFAOYSA-N 0 0 486.407 4.826 20 0 JJADRN CCOC(=O)N[C@H](C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1)C(C)C ZINC001441800075 1066070274 /nfs/dbraw/zinc/07/02/74/1066070274.db2.gz NDRUJNXMRRZGDN-INIZCTEOSA-N 0 0 454.390 4.514 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001360914841 1066071090 /nfs/dbraw/zinc/07/10/90/1066071090.db2.gz PFGOYDCICRLMSL-ZCYQVOJMSA-N 0 0 450.631 4.745 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001441810330 1066071556 /nfs/dbraw/zinc/07/15/56/1066071556.db2.gz LYBYPDYEVIXDOD-SFHVURJKSA-N 0 0 450.926 4.722 20 0 JJADRN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(C2CCCCC2)no1 ZINC001360915785 1066071846 /nfs/dbraw/zinc/07/18/46/1066071846.db2.gz RBXGIAAZFPMRHC-GFCCVEGCSA-N 0 0 451.424 4.952 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCc2ccccc2OC2CCCC2)cc1 ZINC001441813077 1066072212 /nfs/dbraw/zinc/07/22/12/1066072212.db2.gz HGJCEXYXRQOHDN-DEOSSOPVSA-N 0 0 451.611 4.847 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001360916641 1066072238 /nfs/dbraw/zinc/07/22/38/1066072238.db2.gz VKHHOQHLSUWXLM-PTUXOGIPSA-N 0 0 493.656 4.911 20 0 JJADRN CCOc1c(Cl)cc(CNC(=O)c2c3ccccc3nc3c2CN(CC)CC3)cc1OC ZINC001441814862 1066072488 /nfs/dbraw/zinc/07/24/88/1066072488.db2.gz MGQMJTZTMNMDEO-UHFFFAOYSA-N 0 0 453.970 4.604 20 0 JJADRN COc1ccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC001360917430 1066072597 /nfs/dbraw/zinc/07/25/97/1066072597.db2.gz PYBZBKAUBAINHV-GOSISDBHSA-N 0 0 453.004 4.506 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)c1ccc(Cl)cc1 ZINC001360917263 1066072692 /nfs/dbraw/zinc/07/26/92/1066072692.db2.gz MSFFLISUCRZGQW-CRAIPNDOSA-N 0 0 455.045 4.535 20 0 JJADRN C[C@@H](NC(=O)Cc1nc(-c2ccccc2)cs1)c1cc2c(cc1Br)OCCO2 ZINC001441816263 1066072938 /nfs/dbraw/zinc/07/29/38/1066072938.db2.gz JSDNSDFRLOOPBX-CYBMUJFWSA-N 0 0 459.365 4.764 20 0 JJADRN C[C@H](NC(=O)Cc1nc(-c2ccccc2)cs1)c1cc2c(cc1Br)OCCO2 ZINC001441816265 1066072951 /nfs/dbraw/zinc/07/29/51/1066072951.db2.gz JSDNSDFRLOOPBX-ZDUSSCGKSA-N 0 0 459.365 4.764 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)c3cn(C)nc3-c3ccccc3OC)ccn2)cc1 ZINC001441817833 1066073035 /nfs/dbraw/zinc/07/30/35/1066073035.db2.gz OPSLJZLKBSFZOM-UHFFFAOYSA-N 0 0 458.518 4.612 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001360917878 1066072993 /nfs/dbraw/zinc/07/29/93/1066072993.db2.gz DHVZIIOUGVGVQC-QZTJIDSGSA-N 0 0 459.591 4.570 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001360917824 1066073030 /nfs/dbraw/zinc/07/30/30/1066073030.db2.gz YBRXLXRFXLLWIT-FBPXKMNZSA-N 0 0 450.417 4.694 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360917879 1066073129 /nfs/dbraw/zinc/07/31/29/1066073129.db2.gz DHVZIIOUGVGVQC-ROUUACIJSA-N 0 0 459.591 4.570 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001441820852 1066073403 /nfs/dbraw/zinc/07/34/03/1066073403.db2.gz PZTQQBDZCUYKCV-OGEJUEGTSA-N 0 0 455.599 4.843 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001360918181 1066073764 /nfs/dbraw/zinc/07/37/64/1066073764.db2.gz LORVXAUTAXQCTO-ZWKOTPCHSA-N 0 0 476.046 4.942 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360918219 1066073928 /nfs/dbraw/zinc/07/39/28/1066073928.db2.gz MDPLIIWEMQLGOO-LJQANCHMSA-N 0 0 499.656 4.865 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 ZINC001360918317 1066073960 /nfs/dbraw/zinc/07/39/60/1066073960.db2.gz PDDKCZZKNKTPOT-UHFFFAOYSA-N 0 0 457.401 4.680 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360918365 1066074166 /nfs/dbraw/zinc/07/41/66/1066074166.db2.gz QAGDOASUHYXJMP-HNAYVOBHSA-N 0 0 484.519 4.937 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C ZINC001360918471 1066074293 /nfs/dbraw/zinc/07/42/93/1066074293.db2.gz SXMQLXDZIKMIQR-ZDUSSCGKSA-N 0 0 452.447 4.590 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@@H]2CCOc3cc(OC)ccc32)nnc1-c1ccccc1 ZINC001360919072 1066074612 /nfs/dbraw/zinc/07/46/12/1066074612.db2.gz JNEVMWPJYCWQAD-OXQOHEQNSA-N 0 0 452.580 4.657 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001360919833 1066074962 /nfs/dbraw/zinc/07/49/62/1066074962.db2.gz COTLOVHMWFYRIV-CHWSQXEVSA-N 0 0 496.862 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001545944719 1066075005 /nfs/dbraw/zinc/07/50/05/1066075005.db2.gz SCEGQVWHCBBYMJ-BBWFWOEESA-N 0 0 481.563 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001441857661 1066075205 /nfs/dbraw/zinc/07/52/05/1066075205.db2.gz XZLYZTWTOIHIET-RBUKOAKNSA-N 0 0 451.995 4.649 20 0 JJADRN COc1ccc(NC(=O)c2cnn3ccc(C)cc23)cc1NC(=O)c1ccc(Cl)cc1F ZINC001441854637 1066075275 /nfs/dbraw/zinc/07/52/75/1066075275.db2.gz OYUDQQHZQKXEQS-UHFFFAOYSA-N 0 0 452.873 4.948 20 0 JJADRN O=C(CCCNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)Nc1ccc(Cl)cc1 ZINC001441850610 1066075315 /nfs/dbraw/zinc/07/53/15/1066075315.db2.gz DCTFOAHMURGENL-UHFFFAOYSA-N 0 0 450.848 4.693 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC001441850649 1066075384 /nfs/dbraw/zinc/07/53/84/1066075384.db2.gz DTXPVRSCUFZGCC-HXUWFJFHSA-N 0 0 459.974 4.831 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC001441850648 1066075497 /nfs/dbraw/zinc/07/54/97/1066075497.db2.gz DTXPVRSCUFZGCC-FQEVSTJZSA-N 0 0 459.974 4.831 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC001441866162 1066075885 /nfs/dbraw/zinc/07/58/85/1066075885.db2.gz MVTBQJLFSPAXTG-HSZRJFAPSA-N 0 0 454.979 4.796 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001360920111 1066075969 /nfs/dbraw/zinc/07/59/69/1066075969.db2.gz OAMAEPHLPDHMOC-UHFFFAOYSA-N 0 0 468.371 4.951 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001360920158 1066076256 /nfs/dbraw/zinc/07/62/56/1066076256.db2.gz PUBPWEWCDDPWLB-OAQYLSRUSA-N 0 0 490.720 4.539 20 0 JJADRN CCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)c(OCc2ccccc2)c1 ZINC001441875619 1066076319 /nfs/dbraw/zinc/07/63/19/1066076319.db2.gz MSOXQIVDEMHXRR-UHFFFAOYSA-N 0 0 456.546 4.874 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360920234 1066076383 /nfs/dbraw/zinc/07/63/83/1066076383.db2.gz SQOBIANCBPHJBF-HXUWFJFHSA-N 0 0 499.706 4.601 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360921119 1066077053 /nfs/dbraw/zinc/07/70/53/1066077053.db2.gz BJUXPSOIFLHWNH-VQIMIIECSA-N 0 0 474.675 4.683 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360921116 1066077107 /nfs/dbraw/zinc/07/71/07/1066077107.db2.gz BJUXPSOIFLHWNH-APWZRJJASA-N 0 0 474.675 4.683 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001360921103 1066077113 /nfs/dbraw/zinc/07/71/13/1066077113.db2.gz AXPFONBTEGQQLW-UHFFFAOYSA-N 0 0 458.538 4.529 20 0 JJADRN O=C(Cc1ccccc1I)OCc1cc(Cl)ccc1OC(F)F ZINC001360921045 1066077157 /nfs/dbraw/zinc/07/71/57/1066077157.db2.gz ZOLVYQIOBZSARS-UHFFFAOYSA-N 0 0 452.622 4.832 20 0 JJADRN O=C(OCc1cc(Cl)ccc1OC(F)F)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001360920817 1066077174 /nfs/dbraw/zinc/07/71/74/1066077174.db2.gz PPQSYJMELIXYGL-LBPRGKRZSA-N 0 0 453.898 4.906 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1C ZINC001360922629 1066077891 /nfs/dbraw/zinc/07/78/91/1066077891.db2.gz YKPXQCBAIUTJFT-UHFFFAOYSA-N 0 0 457.514 4.833 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360922044 1066078053 /nfs/dbraw/zinc/07/80/53/1066078053.db2.gz SNSUXQIFSXHVQY-UHFFFAOYSA-N 0 0 474.675 4.779 20 0 JJADRN CN(C(=O)c1ccccc1NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)C1CCCCC1 ZINC001441886573 1066078179 /nfs/dbraw/zinc/07/81/79/1066078179.db2.gz SPMZJEHJIKOAGB-DWLFOUALSA-N 0 0 455.599 4.533 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)c1cccc(OCc2ccccn2)c1 ZINC001441886395 1066078213 /nfs/dbraw/zinc/07/82/13/1066078213.db2.gz CEULIYOGJBJYRM-SBHAEUEKSA-N 0 0 453.583 4.921 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001360923063 1066078330 /nfs/dbraw/zinc/07/83/30/1066078330.db2.gz JTJJUGGFZITYGT-UHFFFAOYSA-N 0 0 465.667 4.830 20 0 JJADRN Cc1ccsc1CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360923155 1066078675 /nfs/dbraw/zinc/07/86/75/1066078675.db2.gz LYMOXZDJCZOJSQ-UHFFFAOYSA-N 0 0 476.984 4.783 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)cc1C ZINC001441891882 1066079321 /nfs/dbraw/zinc/07/93/21/1066079321.db2.gz ZUMBJUOSFPYVFR-UHFFFAOYSA-N 0 0 454.596 4.793 20 0 JJADRN Cc1ncsc1CCn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360923959 1066079820 /nfs/dbraw/zinc/07/98/20/1066079820.db2.gz GSMVKHCEDLUABR-UHFFFAOYSA-N 0 0 490.477 4.593 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001441911186 1066080438 /nfs/dbraw/zinc/08/04/38/1066080438.db2.gz FXRCJUZLEQXRGC-NHCUHLMSSA-N 0 0 454.935 4.562 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360924639 1066080743 /nfs/dbraw/zinc/08/07/43/1066080743.db2.gz TZXIOAZYYBQJHE-XMMPIXPASA-N 0 0 457.619 4.657 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360924688 1066080764 /nfs/dbraw/zinc/08/07/64/1066080764.db2.gz WDPSDQQSLNJNGY-CXAGYDPISA-N 0 0 453.509 4.650 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1 ZINC001441918597 1066081025 /nfs/dbraw/zinc/08/10/25/1066081025.db2.gz SCPJHANBRWHFLV-UHFFFAOYSA-N 0 0 458.967 4.858 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001441932050 1066081331 /nfs/dbraw/zinc/08/13/31/1066081331.db2.gz QBMGPGLNXNFNLT-UHFFFAOYSA-N 0 0 453.461 4.752 20 0 JJADRN C[C@H](NC(=O)c1cccc(Br)c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441923386 1066081356 /nfs/dbraw/zinc/08/13/56/1066081356.db2.gz BNKROCUXFJKTLF-ZDUSSCGKSA-N 0 0 456.315 4.914 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(I)ccc2F)cc1 ZINC001360925534 1066081432 /nfs/dbraw/zinc/08/14/32/1066081432.db2.gz JBKJDSJVCQGQBH-BEFAXECRSA-N 0 0 453.295 4.636 20 0 JJADRN C[C@H](NC(=O)Cc1nc(C(F)(F)F)cs1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441936250 1066081767 /nfs/dbraw/zinc/08/17/67/1066081767.db2.gz ZCTFFSMFQKEHSN-LBPRGKRZSA-N 0 0 451.445 4.973 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441942689 1066081897 /nfs/dbraw/zinc/08/18/97/1066081897.db2.gz BEEYLJSCBBWFLX-SBUREZEXSA-N 0 0 451.567 4.826 20 0 JJADRN O=C(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001360925689 1066081841 /nfs/dbraw/zinc/08/18/41/1066081841.db2.gz NYCOLDZTXYFFAH-KRWDZBQOSA-N 0 0 459.420 4.832 20 0 JJADRN CCCc1c(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cnn1-c1cccc(C)c1 ZINC001441960031 1066083005 /nfs/dbraw/zinc/08/30/05/1066083005.db2.gz UBECTUFESIZHRF-UHFFFAOYSA-N 0 0 450.627 4.778 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCC(F)(F)F ZINC001441958889 1066083055 /nfs/dbraw/zinc/08/30/55/1066083055.db2.gz MUVFFLWUIKVJEI-IBGZPJMESA-N 0 0 452.473 4.818 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 ZINC001360926525 1066083197 /nfs/dbraw/zinc/08/31/97/1066083197.db2.gz RTCZQHUSQQRKHT-FQEVSTJZSA-N 0 0 461.632 4.582 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001441976442 1066083480 /nfs/dbraw/zinc/08/34/80/1066083480.db2.gz ANPKMZKREBUUST-UHFFFAOYSA-N 0 0 453.518 4.663 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360926562 1066083423 /nfs/dbraw/zinc/08/34/23/1066083423.db2.gz SWAIEAUQKRQPBF-OAHLLOKOSA-N 0 0 462.019 4.522 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCc1ccccn1 ZINC001360926603 1066083548 /nfs/dbraw/zinc/08/35/48/1066083548.db2.gz VAMGLLUBMIYFOT-IFMALSPDSA-N 0 0 468.671 4.668 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C(C)(C)C)no1 ZINC001360926780 1066083587 /nfs/dbraw/zinc/08/35/87/1066083587.db2.gz AFIRSRQNACLBKN-UHFFFAOYSA-N 0 0 496.999 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3ccc(Br)cc3)cc2CC1 ZINC001441966553 1066083566 /nfs/dbraw/zinc/08/35/66/1066083566.db2.gz KBMRKMNNTHIXBB-UHFFFAOYSA-N 0 0 459.384 4.715 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001360927850 1066083847 /nfs/dbraw/zinc/08/38/47/1066083847.db2.gz OTANLYRSXYDIBO-ZBFHGGJFSA-N 0 0 459.109 4.567 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(C)(C)C)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001360927126 1066083883 /nfs/dbraw/zinc/08/38/83/1066083883.db2.gz NTPJGNPECANWRH-OAHLLOKOSA-N 0 0 451.600 4.831 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001441979360 1066083965 /nfs/dbraw/zinc/08/39/65/1066083965.db2.gz HXJCHPXSIMIHTK-NHCUHLMSSA-N 0 0 458.578 4.690 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ncc(Br)s1 ZINC001441994303 1066085017 /nfs/dbraw/zinc/08/50/17/1066085017.db2.gz ZPIDDNJRHBNSKH-UHFFFAOYSA-N 0 0 451.729 4.808 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCOc1ncccc1F ZINC001360929547 1066085266 /nfs/dbraw/zinc/08/52/66/1066085266.db2.gz IRTQWTUDWHLYHD-MRXNPFEDSA-N 0 0 486.548 4.572 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1ccnc1C ZINC001360929786 1066085540 /nfs/dbraw/zinc/08/55/40/1066085540.db2.gz MGCIFEBVOAUOOQ-MRXNPFEDSA-N 0 0 472.018 4.678 20 0 JJADRN C[C@H]1CCCN(Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017714 1066085797 /nfs/dbraw/zinc/08/57/97/1066085797.db2.gz IVKCLMZTSGXMDG-LBPRGKRZSA-N 0 0 450.486 4.900 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001442021597 1066085918 /nfs/dbraw/zinc/08/59/18/1066085918.db2.gz QWWJQPUWZHJLIA-GFCCVEGCSA-N 0 0 455.365 4.540 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([S@@](C)=O)CC1 ZINC001360929807 1066086051 /nfs/dbraw/zinc/08/60/51/1066086051.db2.gz MWSJDOBOMYENFF-AZYRPFHASA-N 0 0 463.003 4.520 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CC1 ZINC001360929810 1066086230 /nfs/dbraw/zinc/08/62/30/1066086230.db2.gz MWSJDOBOMYENFF-ZYSBOAIWSA-N 0 0 463.003 4.520 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2nc(CN3CCCCC3)cs2)c2ccccc21 ZINC001442026409 1066086604 /nfs/dbraw/zinc/08/66/04/1066086604.db2.gz ZUGVETDYCQAGCB-QGZVFWFLSA-N 0 0 456.612 4.997 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)nc2)C1(C)C ZINC001442029593 1066086656 /nfs/dbraw/zinc/08/66/56/1066086656.db2.gz DIGORSVZBBMORX-DFBJGRDBSA-N 0 0 455.555 4.911 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360929865 1066086572 /nfs/dbraw/zinc/08/65/72/1066086572.db2.gz ODQRMNINSZJQCL-DEOSSOPVSA-N 0 0 491.608 4.880 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC[C@H](O)C1 ZINC001360930327 1066087094 /nfs/dbraw/zinc/08/70/94/1066087094.db2.gz TVUUMXKNRTVNLF-BZSNNMDCSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1 ZINC001360930642 1066087422 /nfs/dbraw/zinc/08/74/22/1066087422.db2.gz VTNVCCBEZKAXDY-VWLOTQADSA-N 0 0 487.645 4.837 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCN(c4ccc(Br)cc4)C3)[nH]n2)cc1C ZINC001442041013 1066087474 /nfs/dbraw/zinc/08/74/74/1066087474.db2.gz DRXMKHRIGUEYLK-KRWDZBQOSA-N 0 0 453.384 4.712 20 0 JJADRN Cc1c(Br)csc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442054057 1066088242 /nfs/dbraw/zinc/08/82/42/1066088242.db2.gz SEYIVMJDJQKCJV-GFCCVEGCSA-N 0 0 458.219 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC001442063339 1066088663 /nfs/dbraw/zinc/08/86/63/1066088663.db2.gz PGFIZTSJQNEAEB-SFHVURJKSA-N 0 0 451.405 4.777 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@H]1CCCCO1 ZINC001360932069 1066088983 /nfs/dbraw/zinc/08/89/83/1066088983.db2.gz DONCLFXKANKUOX-MRXNPFEDSA-N 0 0 479.448 4.786 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCC1CCOCC1 ZINC001360932128 1066089347 /nfs/dbraw/zinc/08/93/47/1066089347.db2.gz GQTDIRZTLZLKBL-UHFFFAOYSA-N 0 0 493.475 4.654 20 0 JJADRN O=C(Cc1nsc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442070443 1066089618 /nfs/dbraw/zinc/08/96/18/1066089618.db2.gz PDQCVDWZRPJRRC-UHFFFAOYSA-N 0 0 459.499 4.557 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC001442072364 1066089659 /nfs/dbraw/zinc/08/96/59/1066089659.db2.gz KJLHTFZYOWDDNE-GOSISDBHSA-N 0 0 453.421 4.926 20 0 JJADRN O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(OC(F)(F)F)cc1Br ZINC001442072953 1066090273 /nfs/dbraw/zinc/09/02/73/1066090273.db2.gz VXHJHXHHIVRIBS-UHFFFAOYSA-N 0 0 454.246 4.523 20 0 JJADRN CN1CCCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c2cc(F)ccc21 ZINC001360932965 1066091076 /nfs/dbraw/zinc/09/10/76/1066091076.db2.gz AQBUXZPMADVPFU-UHFFFAOYSA-N 0 0 452.913 4.962 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)cc1)C1CCCCC1 ZINC001442085116 1066091704 /nfs/dbraw/zinc/09/17/04/1066091704.db2.gz SSJULCCIQXLHLT-UHFFFAOYSA-N 0 0 455.356 4.982 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)c2c[nH]c3ncc(Br)cc23)cc1)C1CCCCC1 ZINC001442083277 1066091958 /nfs/dbraw/zinc/09/19/58/1066091958.db2.gz ISQMSBBZHXBWDY-UHFFFAOYSA-N 0 0 455.356 4.982 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC001360934292 1066092163 /nfs/dbraw/zinc/09/21/63/1066092163.db2.gz ZQLDOVHXMBFBIP-UHFFFAOYSA-N 0 0 453.564 4.774 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC001442087036 1066092268 /nfs/dbraw/zinc/09/22/68/1066092268.db2.gz SIZBBYGDZGDTOX-OAQYLSRUSA-N 0 0 457.412 4.515 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC(F)(F)CO1 ZINC001360934669 1066092779 /nfs/dbraw/zinc/09/27/79/1066092779.db2.gz HNCDKFXZFXFOBP-HNNXBMFYSA-N 0 0 485.304 4.809 20 0 JJADRN CN(CCCCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001442097952 1066093076 /nfs/dbraw/zinc/09/30/76/1066093076.db2.gz WPQBIGKTGZMTJN-UHFFFAOYSA-N 0 0 457.537 4.599 20 0 JJADRN CC(C)c1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001442102046 1066093467 /nfs/dbraw/zinc/09/34/67/1066093467.db2.gz BJDFLCJYMIFCCB-QFIPXVFZSA-N 0 0 454.368 4.972 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(COc4ccccc4)o3)n2CCOC(C)(C)C)cnn1C ZINC001360934832 1066093540 /nfs/dbraw/zinc/09/35/40/1066093540.db2.gz NHUJSLVCUMAEIK-UHFFFAOYSA-N 0 0 478.597 4.611 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@](C)(O)c1ccccc1 ZINC001360934790 1066093580 /nfs/dbraw/zinc/09/35/80/1066093580.db2.gz LTXWSIZKINPJMV-XMMPIXPASA-N 0 0 451.958 4.829 20 0 JJADRN COCCN(Cc1ccccn1)C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001442104037 1066093839 /nfs/dbraw/zinc/09/38/39/1066093839.db2.gz HKCOSGZKALLEJE-JOCHJYFZSA-N 0 0 455.352 4.639 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001442104560 1066093901 /nfs/dbraw/zinc/09/39/01/1066093901.db2.gz MMMLBFSHMBKGEY-GUSDDNLUSA-N 0 0 458.961 4.766 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)cnn1C ZINC001360934944 1066094016 /nfs/dbraw/zinc/09/40/16/1066094016.db2.gz RIDRQVQHSHWPQY-DEOSSOPVSA-N 0 0 457.022 4.608 20 0 JJADRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001442107345 1066094227 /nfs/dbraw/zinc/09/42/27/1066094227.db2.gz WSCMEMYNMIHANE-IBGZPJMESA-N 0 0 458.603 4.744 20 0 JJADRN CO[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1C(F)(F)F ZINC001442109589 1066094293 /nfs/dbraw/zinc/09/42/93/1066094293.db2.gz TUGXEEDAUIJPDV-MSOLQXFVSA-N 0 0 458.274 4.756 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)C(C)C ZINC001360935046 1066094278 /nfs/dbraw/zinc/09/42/78/1066094278.db2.gz VKTJMTRGMZYGEQ-GOSISDBHSA-N 0 0 470.462 4.577 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC001442107861 1066094338 /nfs/dbraw/zinc/09/43/38/1066094338.db2.gz ZIWJCRCOTWTEQL-UHFFFAOYSA-N 0 0 459.502 4.679 20 0 JJADRN CCOc1ccc(C2(CNC(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)CCOCC2)cc1 ZINC001442110260 1066094583 /nfs/dbraw/zinc/09/45/83/1066094583.db2.gz FBAXNLIFGGOWEY-UHFFFAOYSA-N 0 0 456.892 4.560 20 0 JJADRN O=C(c1nccnc1Sc1ccccc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442109781 1066094690 /nfs/dbraw/zinc/09/46/90/1066094690.db2.gz UUBGFIRNQBUWCX-GOSISDBHSA-N 0 0 456.365 4.604 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCOC1=O ZINC001360935212 1066094776 /nfs/dbraw/zinc/09/47/76/1066094776.db2.gz XHSFDHKZLRTTOQ-UHFFFAOYSA-N 0 0 451.571 4.623 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442110476 1066095021 /nfs/dbraw/zinc/09/50/21/1066095021.db2.gz VRTZXCHRLAOYEY-UGSOOPFHSA-N 0 0 458.274 4.835 20 0 JJADRN C[C@H](C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111741 1066095198 /nfs/dbraw/zinc/09/51/98/1066095198.db2.gz KWIJIHJQHAQTPA-VXKWHMMOSA-N 0 0 456.586 4.558 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3F)n2Cc2cc(Br)cs2)cnn1C ZINC001360935810 1066095458 /nfs/dbraw/zinc/09/54/58/1066095458.db2.gz XUINLSHUHGKKRR-UHFFFAOYSA-N 0 0 475.391 4.635 20 0 JJADRN O=C(CCCc1ccccc1)N1CCN(C(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC001360936053 1066095879 /nfs/dbraw/zinc/09/58/79/1066095879.db2.gz HUAQZSQVBDPTCZ-UHFFFAOYSA-N 0 0 459.373 4.976 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001442114776 1066096006 /nfs/dbraw/zinc/09/60/06/1066096006.db2.gz DUCGTGODFYGCPZ-QHCPKHFHSA-N 0 0 451.611 4.799 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001442115690 1066096088 /nfs/dbraw/zinc/09/60/88/1066096088.db2.gz IFTAKZDUTVASEU-SLFFLAALSA-N 0 0 467.651 4.566 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccn2C)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001360937049 1066096333 /nfs/dbraw/zinc/09/63/33/1066096333.db2.gz KQTWARBNTYUFET-UHFFFAOYSA-N 0 0 476.528 4.674 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1csc(Br)c1 ZINC001442117501 1066096565 /nfs/dbraw/zinc/09/65/65/1066096565.db2.gz FYFLVPYHMQYLRF-INIZCTEOSA-N 0 0 457.821 4.967 20 0 JJADRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001360937498 1066096689 /nfs/dbraw/zinc/09/66/89/1066096689.db2.gz LWRMYQRABTUYNC-OAQYLSRUSA-N 0 0 453.951 4.690 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC001360937526 1066096790 /nfs/dbraw/zinc/09/67/90/1066096790.db2.gz MJIMJQCKUDQRTM-HRAATJIYSA-N 0 0 450.970 4.882 20 0 JJADRN CCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC001442121345 1066096822 /nfs/dbraw/zinc/09/68/22/1066096822.db2.gz KSGYPSKQDUDSLD-UHFFFAOYSA-N 0 0 455.429 4.732 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)nc2)cc1 ZINC001442124482 1066096854 /nfs/dbraw/zinc/09/68/54/1066096854.db2.gz WCMZFMUCLZCVAI-SFHVURJKSA-N 0 0 455.555 4.602 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC(F)(F)F ZINC001360937942 1066097243 /nfs/dbraw/zinc/09/72/43/1066097243.db2.gz FNGWOVILSFGFEN-UHFFFAOYSA-N 0 0 460.460 4.595 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)cc1 ZINC001442133345 1066097238 /nfs/dbraw/zinc/09/72/38/1066097238.db2.gz VLQNYRNTOLJEAX-KRWDZBQOSA-N 0 0 453.564 4.635 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001360940532 1066097419 /nfs/dbraw/zinc/09/74/19/1066097419.db2.gz NFNMXJZQDCLINI-MOPGFXCFSA-N 0 0 476.597 4.502 20 0 JJADRN Cc1occc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1CCOCC1 ZINC001360941180 1066097910 /nfs/dbraw/zinc/09/79/10/1066097910.db2.gz NIJJRJIUQYWJOE-UHFFFAOYSA-N 0 0 487.645 4.747 20 0 JJADRN COc1cccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1Cl ZINC001442159261 1066098340 /nfs/dbraw/zinc/09/83/40/1066098340.db2.gz YDPVYDLXRVLZIK-SFHVURJKSA-N 0 0 450.922 4.605 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001360942624 1066098680 /nfs/dbraw/zinc/09/86/80/1066098680.db2.gz VBJPLXWZZPJHTB-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001442171091 1066098679 /nfs/dbraw/zinc/09/86/79/1066098679.db2.gz DEZBJRPDYQLUCE-MRXNPFEDSA-N 0 0 453.674 4.792 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001442171088 1066098730 /nfs/dbraw/zinc/09/87/30/1066098730.db2.gz DEZBJRPDYQLUCE-INIZCTEOSA-N 0 0 453.674 4.792 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C1CCCCC1 ZINC001360944661 1066099278 /nfs/dbraw/zinc/09/92/78/1066099278.db2.gz FBTRERYCYBAWCM-DEOSSOPVSA-N 0 0 457.619 4.741 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc2cc(Br)ccc2c1 ZINC001442180714 1066099511 /nfs/dbraw/zinc/09/95/11/1066099511.db2.gz JPTMMASYFDNPDG-NRFANRHFSA-N 0 0 453.336 4.650 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc2cc(Br)ccc2c1 ZINC001442180720 1066099590 /nfs/dbraw/zinc/09/95/90/1066099590.db2.gz JPTMMASYFDNPDG-OAQYLSRUSA-N 0 0 453.336 4.650 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442179122 1066099615 /nfs/dbraw/zinc/09/96/15/1066099615.db2.gz CQEXRWSAIYETCE-WETRKIQUSA-N 0 0 454.558 4.891 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001360944776 1066099669 /nfs/dbraw/zinc/09/96/69/1066099669.db2.gz IWUGQUZLTBYZHS-WMZHIEFXSA-N 0 0 457.619 4.861 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 ZINC001360944857 1066099844 /nfs/dbraw/zinc/09/98/44/1066099844.db2.gz LLAXRRPBTNYGJL-UHFFFAOYSA-N 0 0 484.601 4.761 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1F ZINC001442184326 1066100129 /nfs/dbraw/zinc/10/01/29/1066100129.db2.gz MUOXVCDPIMEENL-IRXDYDNUSA-N 0 0 451.498 4.888 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360945228 1066100262 /nfs/dbraw/zinc/10/02/62/1066100262.db2.gz YZSZXKLVJBCVDK-UHFFFAOYSA-N 0 0 474.462 4.597 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001442190130 1066100588 /nfs/dbraw/zinc/10/05/88/1066100588.db2.gz XHCMQTQBVAZMRF-OVCORXIESA-N 0 0 452.860 4.720 20 0 JJADRN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl ZINC001442188131 1066100591 /nfs/dbraw/zinc/10/05/91/1066100591.db2.gz VMGJILUMSKNOHW-LJQANCHMSA-N 0 0 455.407 4.653 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2F)cc1F ZINC001442189935 1066100612 /nfs/dbraw/zinc/10/06/12/1066100612.db2.gz WPROKHVGPCYDDR-UHFFFAOYSA-N 0 0 453.445 4.856 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC001360946251 1066100688 /nfs/dbraw/zinc/10/06/88/1066100688.db2.gz GDSAERGBVSLOBW-MSOLQXFVSA-N 0 0 452.550 4.902 20 0 JJADRN Cc1ccc(F)c(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1Br ZINC001442203676 1066101247 /nfs/dbraw/zinc/10/12/47/1066101247.db2.gz BGAFMJGBMCWKOI-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2ccccc2NCc2cccnc2)nc1-c1ccccc1 ZINC001442200780 1066101420 /nfs/dbraw/zinc/10/14/20/1066101420.db2.gz MZJUUBUWEFJZPT-UHFFFAOYSA-N 0 0 458.543 4.785 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001360946425 1066101367 /nfs/dbraw/zinc/10/13/67/1066101367.db2.gz IVOYFFJGGRLCIX-QFIPXVFZSA-N 0 0 479.572 4.862 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(F)(F)Br ZINC001360947000 1066101911 /nfs/dbraw/zinc/10/19/11/1066101911.db2.gz VPALNBHUZFAFTO-UHFFFAOYSA-N 0 0 464.314 4.876 20 0 JJADRN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001442207251 1066101971 /nfs/dbraw/zinc/10/19/71/1066101971.db2.gz LICUJJZMKCVXAP-FQEVSTJZSA-N 0 0 457.448 4.660 20 0 JJADRN Cc1c(CN(C)c2nnc(CC3CCCC3)n2CCc2ccc(Br)s2)cnn1C ZINC001360947354 1066102341 /nfs/dbraw/zinc/10/23/41/1066102341.db2.gz JACVCNFDNNGPIU-UHFFFAOYSA-N 0 0 477.476 4.756 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(Sc2ccccc2)n1 ZINC001442210613 1066102333 /nfs/dbraw/zinc/10/23/33/1066102333.db2.gz HMCRHJYXVGGDNH-UHFFFAOYSA-N 0 0 452.624 4.778 20 0 JJADRN Cc1c(CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)cnn1C ZINC001360947551 1066102349 /nfs/dbraw/zinc/10/23/49/1066102349.db2.gz PNUOYWJMOAVUNO-UGKGYDQZSA-N 0 0 490.574 4.947 20 0 JJADRN Cc1cc(C)cc(OCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC001442207924 1066102485 /nfs/dbraw/zinc/10/24/85/1066102485.db2.gz IMIXKCVCPDZLAL-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN CCc1c(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001442212527 1066102510 /nfs/dbraw/zinc/10/25/10/1066102510.db2.gz UFPXMZMPOROVOJ-UHFFFAOYSA-N 0 0 451.958 4.514 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCc2ccccc2)n1C[C@](C)(O)c1ccsc1 ZINC001360947750 1066103125 /nfs/dbraw/zinc/10/31/25/1066103125.db2.gz YDXWYDFAUOTUCV-DEOSSOPVSA-N 0 0 467.664 4.824 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)cnn1C ZINC001360949309 1066103656 /nfs/dbraw/zinc/10/36/56/1066103656.db2.gz BUOVRNQSEWFCFL-LVXARBLLSA-N 0 0 494.684 4.894 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC[C@@H]2CCCCO2)cnn1C ZINC001360949333 1066104233 /nfs/dbraw/zinc/10/42/33/1066104233.db2.gz CKWIJUGSTOWVCK-NRFANRHFSA-N 0 0 473.021 4.538 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)CN(Cc2ccccc2)c2ccccc2)CCOCC1 ZINC001442227161 1066104296 /nfs/dbraw/zinc/10/42/96/1066104296.db2.gz OEPACCQLODTESG-UHFFFAOYSA-N 0 0 458.602 4.875 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC001442225774 1066104305 /nfs/dbraw/zinc/10/43/05/1066104305.db2.gz YTTMYKVBHQVFKM-OAQYLSRUSA-N 0 0 452.457 4.869 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001360949596 1066105497 /nfs/dbraw/zinc/10/54/97/1066105497.db2.gz LXWNONWIRVYTEJ-RDPSFJRHSA-N 0 0 456.562 4.985 20 0 JJADRN CCNc1ncc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)s1 ZINC001442235686 1066105787 /nfs/dbraw/zinc/10/57/87/1066105787.db2.gz QSWNLAWGSCFECS-UHFFFAOYSA-N 0 0 456.015 4.803 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1 ZINC001360949677 1066106278 /nfs/dbraw/zinc/10/62/78/1066106278.db2.gz OXLSFFQCZIMUFI-IBGZPJMESA-N 0 0 468.627 4.800 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCn1ccnc1C ZINC001360949700 1066106313 /nfs/dbraw/zinc/10/63/13/1066106313.db2.gz PQDTXGDGIMOIDC-TZIWHRDSSA-N 0 0 471.675 4.583 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)[nH]c1C ZINC001442238152 1066106623 /nfs/dbraw/zinc/10/66/23/1066106623.db2.gz ZZTLDRDZTAYHCM-DEOSSOPVSA-N 0 0 454.530 4.899 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CCCO1 ZINC001360949828 1066106860 /nfs/dbraw/zinc/10/68/60/1066106860.db2.gz UZZIDSGTSAHOAT-NRFANRHFSA-N 0 0 492.443 4.590 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)nc1 ZINC001360950871 1066108045 /nfs/dbraw/zinc/10/80/45/1066108045.db2.gz TZNCHHZULHMBKE-KDURUIRLSA-N 0 0 487.004 4.683 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 ZINC001360950032 1066108117 /nfs/dbraw/zinc/10/81/17/1066108117.db2.gz COCLERZZGCLZDW-QRVBRYPASA-N 0 0 472.659 4.806 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC001442248531 1066108366 /nfs/dbraw/zinc/10/83/66/1066108366.db2.gz LQLAKVTWZANAMJ-LBPRGKRZSA-N 0 0 455.736 4.503 20 0 JJADRN COc1ccc(SCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1OC ZINC001442254428 1066109007 /nfs/dbraw/zinc/10/90/07/1066109007.db2.gz DVBCWHHHWQQWAL-UHFFFAOYSA-N 0 0 453.608 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N3CCC[C@@H]3c3ccccn3)s2)CC1 ZINC001442253813 1066109014 /nfs/dbraw/zinc/10/90/14/1066109014.db2.gz XHGSSVUMSNSFCL-LJQANCHMSA-N 0 0 456.612 4.705 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC001442254375 1066109076 /nfs/dbraw/zinc/10/90/76/1066109076.db2.gz DQAZHTDPAYYGGA-UHFFFAOYSA-N 0 0 453.896 4.633 20 0 JJADRN COc1ccccc1C1(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CCCC1 ZINC001442263109 1066109479 /nfs/dbraw/zinc/10/94/79/1066109479.db2.gz OCGOCHLAGTWPST-UHFFFAOYSA-N 0 0 456.380 4.687 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cnn1CC(C)C ZINC001360952360 1066109688 /nfs/dbraw/zinc/10/96/88/1066109688.db2.gz CWFVMWVYZDZQLV-UHFFFAOYSA-N 0 0 489.590 4.956 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)cnn1CC(C)C ZINC001360952933 1066109738 /nfs/dbraw/zinc/10/97/38/1066109738.db2.gz OKMMTPMZKQGGIS-XMMPIXPASA-N 0 0 468.621 4.700 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCN([C@H](C)c3ccsc3)CC2)cnn1CC(C)C ZINC001360953100 1066109792 /nfs/dbraw/zinc/10/97/92/1066109792.db2.gz PVPCHQXUZIHUEK-LJQANCHMSA-N 0 0 455.676 4.555 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC001442263702 1066110068 /nfs/dbraw/zinc/11/00/68/1066110068.db2.gz KIJDHJKOVHHSPT-INIZCTEOSA-N 0 0 450.004 4.977 20 0 JJADRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)s1 ZINC001442268267 1066110670 /nfs/dbraw/zinc/11/06/70/1066110670.db2.gz YJMIGQMAXZYUHF-DYVFJYSZSA-N 0 0 453.377 4.830 20 0 JJADRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)s1 ZINC001442268268 1066110689 /nfs/dbraw/zinc/11/06/89/1066110689.db2.gz YJMIGQMAXZYUHF-GUYCJALGSA-N 0 0 453.377 4.830 20 0 JJADRN O=C(COc1cccc(I)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC001442266229 1066110829 /nfs/dbraw/zinc/11/08/29/1066110829.db2.gz PLYXLTSKEWUOFC-INIZCTEOSA-N 0 0 455.723 4.557 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001360954735 1066110982 /nfs/dbraw/zinc/11/09/82/1066110982.db2.gz XUVCWLCZMCJNMH-UHFFFAOYSA-N 0 0 459.367 4.606 20 0 JJADRN Cc1ccoc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001360954043 1066110986 /nfs/dbraw/zinc/11/09/86/1066110986.db2.gz ORWFKQCLRICQLN-UHFFFAOYSA-N 0 0 470.455 4.530 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)cnn1CC(C)C ZINC001360955526 1066111496 /nfs/dbraw/zinc/11/14/96/1066111496.db2.gz DZOPJIOMDJARFO-AZUAARDMSA-N 0 0 484.620 4.770 20 0 JJADRN Cc1ccc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1NS(C)(=O)=O ZINC001442290786 1066111846 /nfs/dbraw/zinc/11/18/46/1066111846.db2.gz DGHMCWIJPIQJLO-UHFFFAOYSA-N 0 0 458.967 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC001442293003 1066112453 /nfs/dbraw/zinc/11/24/53/1066112453.db2.gz LAIJWKUCJDCTTE-UHFFFAOYSA-N 0 0 455.555 4.968 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001442291750 1066112531 /nfs/dbraw/zinc/11/25/31/1066112531.db2.gz DRPBBKMFVNPNRC-FTJBHMTQSA-N 0 0 459.565 4.968 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc1 ZINC001360955893 1066112514 /nfs/dbraw/zinc/11/25/14/1066112514.db2.gz DTTRPVOILZETOJ-UHFFFAOYSA-N 0 0 451.748 4.671 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001360956809 1066113508 /nfs/dbraw/zinc/11/35/08/1066113508.db2.gz QWGSKRIKFCFSDF-FQEVSTJZSA-N 0 0 487.645 4.522 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001442300677 1066113601 /nfs/dbraw/zinc/11/36/01/1066113601.db2.gz UXOJXWWCMPVNGV-CLJLJLNGSA-N 0 0 459.565 4.824 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001360957401 1066113990 /nfs/dbraw/zinc/11/39/90/1066113990.db2.gz BIIJMOPHJVBLKD-UHFFFAOYSA-N 0 0 456.384 4.852 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CCCO)CC1 ZINC001360957249 1066114026 /nfs/dbraw/zinc/11/40/26/1066114026.db2.gz XQIRHDWGZVGAOS-NRFANRHFSA-N 0 0 452.599 4.974 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001442301455 1066114010 /nfs/dbraw/zinc/11/40/10/1066114010.db2.gz JOJWGPIFNZGZIO-XMMPIXPASA-N 0 0 454.998 4.963 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360957786 1066114531 /nfs/dbraw/zinc/11/45/31/1066114531.db2.gz AYINEXRNJJKFJP-QGZVFWFLSA-N 0 0 458.031 4.710 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001360957897 1066114598 /nfs/dbraw/zinc/11/45/98/1066114598.db2.gz SDBWMURPXZSISH-UHFFFAOYSA-N 0 0 457.324 4.580 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F ZINC001360958320 1066115124 /nfs/dbraw/zinc/11/51/24/1066115124.db2.gz ABHDYVYXIBEWKT-UHFFFAOYSA-N 0 0 455.820 4.530 20 0 JJADRN Cc1c(Cn2c(-c3cc(F)ccc3Br)nnc2N(CC(C)C)C(C)C)cnn1C ZINC001360958488 1066115130 /nfs/dbraw/zinc/11/51/30/1066115130.db2.gz ODCWYSMBELHNSV-UHFFFAOYSA-N 0 0 463.399 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC001442307850 1066115309 /nfs/dbraw/zinc/11/53/09/1066115309.db2.gz LVHNYZFVKSKOJF-DLBZAZTESA-N 0 0 466.504 4.591 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001545948097 1066115337 /nfs/dbraw/zinc/11/53/37/1066115337.db2.gz JWSLUOGFVGIEJV-NFQMXDRXSA-N 0 0 476.625 4.761 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(C(C)(C)C)c1O ZINC001442306342 1066115364 /nfs/dbraw/zinc/11/53/64/1066115364.db2.gz LQFWTECGLUKQJL-LJQANCHMSA-N 0 0 456.602 4.519 20 0 JJADRN Cc1c(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCc2cccs2)cnn1C ZINC001360958765 1066115713 /nfs/dbraw/zinc/11/57/13/1066115713.db2.gz SWWHPAJBDBNBGG-UHFFFAOYSA-N 0 0 489.418 4.677 20 0 JJADRN COC(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)c(OCC(F)(F)F)c1 ZINC001360959269 1066116273 /nfs/dbraw/zinc/11/62/73/1066116273.db2.gz VQAROLQKGGHSGF-UHFFFAOYSA-N 0 0 452.212 4.739 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c(OCC(F)(F)F)c1 ZINC001360959082 1066116294 /nfs/dbraw/zinc/11/62/94/1066116294.db2.gz OUQVWTQVRPYSLH-UHFFFAOYSA-N 0 0 453.413 4.622 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001442325661 1066116555 /nfs/dbraw/zinc/11/65/55/1066116555.db2.gz GDVGIGQBFKPXOV-BEFAXECRSA-N 0 0 450.564 4.919 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC001442335523 1066117522 /nfs/dbraw/zinc/11/75/22/1066117522.db2.gz JMGKWLXLPRCNRV-MBSDFSHPSA-N 0 0 451.567 4.565 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC001442335514 1066117534 /nfs/dbraw/zinc/11/75/34/1066117534.db2.gz JMGKWLXLPRCNRV-JPYJTQIMSA-N 0 0 451.567 4.565 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccccn2)cnn1CC(C)C ZINC001360959878 1066117559 /nfs/dbraw/zinc/11/75/59/1066117559.db2.gz SFJHJXQNLLCKNC-UHFFFAOYSA-N 0 0 494.441 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)C1 ZINC001442336520 1066118154 /nfs/dbraw/zinc/11/81/54/1066118154.db2.gz KMOHNZFNSGVILM-UHFFFAOYSA-N 0 0 450.366 4.784 20 0 JJADRN O=C(c1ccccn1)N1CCN(C(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1 ZINC001442343137 1066118233 /nfs/dbraw/zinc/11/82/33/1066118233.db2.gz GKYQBYRVFSGCCZ-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360960177 1066118567 /nfs/dbraw/zinc/11/85/67/1066118567.db2.gz CVMSXCWHZBEFDY-OAQYLSRUSA-N 0 0 464.998 4.587 20 0 JJADRN COc1cc(N)c(C(=O)NC2(c3cccc(Br)c3)CCC2)cc1Br ZINC001442348775 1066118673 /nfs/dbraw/zinc/11/86/73/1066118673.db2.gz CEJNAKINFOSQJF-UHFFFAOYSA-N 0 0 454.162 4.612 20 0 JJADRN C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001442353216 1066119138 /nfs/dbraw/zinc/11/91/38/1066119138.db2.gz NWWQMFHZYVENET-IBGZPJMESA-N 0 0 451.611 4.881 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)cnn1CC(C)C ZINC001360960525 1066119723 /nfs/dbraw/zinc/11/97/23/1066119723.db2.gz OSVGESRYSFCBAK-UHFFFAOYSA-N 0 0 463.413 4.688 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360960572 1066119777 /nfs/dbraw/zinc/11/97/77/1066119777.db2.gz RDFYVCUJOMEMMU-UHFFFAOYSA-N 0 0 469.920 4.760 20 0 JJADRN C[C@@H](CNC(=O)c1cc(Cl)ccc1I)Oc1ccccc1Cl ZINC001360962162 1066121773 /nfs/dbraw/zinc/12/17/73/1066121773.db2.gz VIXMWIHYCUMKNU-JTQLQIEISA-N 0 0 450.103 4.795 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)ccc1SC ZINC001442385903 1066122075 /nfs/dbraw/zinc/12/20/75/1066122075.db2.gz DJSUXGXKGCASKV-HXUWFJFHSA-N 0 0 456.608 4.910 20 0 JJADRN C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360963234 1066122687 /nfs/dbraw/zinc/12/26/87/1066122687.db2.gz CIVBWFQPSMBPDN-LPHOPBHVSA-N 0 0 457.546 4.767 20 0 JJADRN C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360963233 1066122800 /nfs/dbraw/zinc/12/28/00/1066122800.db2.gz CIVBWFQPSMBPDN-APWZRJJASA-N 0 0 457.546 4.767 20 0 JJADRN CCC[C@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001442391446 1066122944 /nfs/dbraw/zinc/12/29/44/1066122944.db2.gz AXJSJDSGWKTUKY-IBGZPJMESA-N 0 0 458.430 4.940 20 0 JJADRN C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360964402 1066123244 /nfs/dbraw/zinc/12/32/44/1066123244.db2.gz PVYHONZGKIUACI-VGOFRKELSA-N 0 0 458.389 4.803 20 0 JJADRN Cc1c(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2csc(Br)c2)cnn1CC(C)C ZINC001360963582 1066123331 /nfs/dbraw/zinc/12/33/31/1066123331.db2.gz LEVOARNNFRJZHC-UHFFFAOYSA-N 0 0 488.459 4.943 20 0 JJADRN CCOc1ccc2c(c1)CN(C(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C)CC2 ZINC001442394613 1066123644 /nfs/dbraw/zinc/12/36/44/1066123644.db2.gz QCOGGZXFIQGTFZ-UHFFFAOYSA-N 0 0 454.567 4.530 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCCc2ccccc2)cnn1CC(C)C ZINC001360967818 1066124967 /nfs/dbraw/zinc/12/49/67/1066124967.db2.gz QOGUBADKDCFDHE-DEOSSOPVSA-N 0 0 450.631 4.798 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C1CC1 ZINC001360967709 1066124975 /nfs/dbraw/zinc/12/49/75/1066124975.db2.gz KYMFQJLHDUUSDC-QFIPXVFZSA-N 0 0 458.986 4.881 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC001442407501 1066125752 /nfs/dbraw/zinc/12/57/52/1066125752.db2.gz CGQJULKVIMXAHC-IBGZPJMESA-N 0 0 454.567 4.745 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001442409243 1066125788 /nfs/dbraw/zinc/12/57/88/1066125788.db2.gz DQYIBFIBRHLGQM-AVCGJXAMSA-N 0 0 471.573 4.907 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCN(c4ccccc4C)CC3)cc2)c(C)c1Br ZINC001442404774 1066125797 /nfs/dbraw/zinc/12/57/97/1066125797.db2.gz JHBKTVHPUVERGB-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001360969379 1066125970 /nfs/dbraw/zinc/12/59/70/1066125970.db2.gz QGSRELMGSQJJEU-PMACEKPBSA-N 0 0 457.412 4.899 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001360968786 1066125989 /nfs/dbraw/zinc/12/59/89/1066125989.db2.gz FYMFPBCCHYLSMU-YWZLYKJASA-N 0 0 458.605 4.657 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001360968785 1066126017 /nfs/dbraw/zinc/12/60/17/1066126017.db2.gz FYMFPBCCHYLSMU-QRWLVFNGSA-N 0 0 458.605 4.657 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001360969098 1066126022 /nfs/dbraw/zinc/12/60/22/1066126022.db2.gz JVNPDMKVQXHDQH-XMMPIXPASA-N 0 0 454.448 4.572 20 0 JJADRN C[C@@H]1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)C[C@@H](C)O1 ZINC000028940069 1066126448 /nfs/dbraw/zinc/12/64/48/1066126448.db2.gz IOEVWBHZDFSNAO-QZTJIDSGSA-N 0 0 465.623 4.595 20 0 JJADRN C[C@@H]1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)C[C@H](C)O1 ZINC000028940071 1066126511 /nfs/dbraw/zinc/12/65/11/1066126511.db2.gz IOEVWBHZDFSNAO-HDICACEKSA-N 0 0 465.623 4.595 20 0 JJADRN CC(C)n1c2ccc(C(=O)NCCNc3ccc(C(F)(F)F)cn3)cc2nc1C(F)(F)F ZINC001442431026 1066126851 /nfs/dbraw/zinc/12/68/51/1066126851.db2.gz LZKJIYXCWHALAH-UHFFFAOYSA-N 0 0 459.394 4.892 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC001442451081 1066127171 /nfs/dbraw/zinc/12/71/71/1066127171.db2.gz SDSDTCPNXMDKLC-CQSZACIVSA-N 0 0 451.539 4.654 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442451104 1066127238 /nfs/dbraw/zinc/12/72/38/1066127238.db2.gz SEWISPIHWDVBPS-JXFKEZNVSA-N 0 0 453.574 4.579 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442464329 1066128069 /nfs/dbraw/zinc/12/80/69/1066128069.db2.gz KPZVNYABMGZMCS-DZGCQCFKSA-N 0 0 455.318 4.688 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360972599 1066128396 /nfs/dbraw/zinc/12/83/96/1066128396.db2.gz DYZZKOOXHISUGS-LJQANCHMSA-N 0 0 467.614 4.931 20 0 JJADRN Cc1ccoc1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001360972294 1066128417 /nfs/dbraw/zinc/12/84/17/1066128417.db2.gz UCSBETYUOWCJKP-UHFFFAOYSA-N 0 0 450.587 4.607 20 0 JJADRN Cc1ccsc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360972635 1066128429 /nfs/dbraw/zinc/12/84/29/1066128429.db2.gz GDLBGPWKJYFPLI-UHFFFAOYSA-N 0 0 489.592 4.622 20 0 JJADRN Cc1ccoc1Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360972301 1066128494 /nfs/dbraw/zinc/12/84/94/1066128494.db2.gz UIFSVZGDYIKZQG-UHFFFAOYSA-N 0 0 459.635 4.900 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)cnn1CC(C)C ZINC001360972922 1066129144 /nfs/dbraw/zinc/12/91/44/1066129144.db2.gz QJMGNAPHFOLRST-UHFFFAOYSA-N 0 0 492.594 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC001442473011 1066129272 /nfs/dbraw/zinc/12/92/72/1066129272.db2.gz GKFUEXMQXSPNOF-NRFANRHFSA-N 0 0 457.615 4.857 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001442474755 1066129792 /nfs/dbraw/zinc/12/97/92/1066129792.db2.gz LYLQSRWUCNNEJH-SBUREZEXSA-N 0 0 456.558 4.737 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360973379 1066130179 /nfs/dbraw/zinc/13/01/79/1066130179.db2.gz AAAFZKBEBGPXMA-LJQANCHMSA-N 0 0 483.657 4.803 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360973378 1066130254 /nfs/dbraw/zinc/13/02/54/1066130254.db2.gz AAAFZKBEBGPXMA-IBGZPJMESA-N 0 0 483.657 4.803 20 0 JJADRN Cc1ccsc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360973431 1066130259 /nfs/dbraw/zinc/13/02/59/1066130259.db2.gz BSYIQKRRRQVNKB-UHFFFAOYSA-N 0 0 464.542 4.794 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001442475490 1066130403 /nfs/dbraw/zinc/13/04/03/1066130403.db2.gz RPOGZMRSHSSMSB-INIZCTEOSA-N 0 0 455.555 4.737 20 0 JJADRN Cc1ccsc1Cn1c(CC2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360974089 1066130651 /nfs/dbraw/zinc/13/06/51/1066130651.db2.gz WUEMGLWEFXWIJR-IBGZPJMESA-N 0 0 459.660 4.875 20 0 JJADRN O=C(CCNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccccc1 ZINC001442497443 1066131539 /nfs/dbraw/zinc/13/15/39/1066131539.db2.gz NVNVYZGMCOJCGQ-VWLOTQADSA-N 0 0 453.007 4.985 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001360975371 1066131695 /nfs/dbraw/zinc/13/16/95/1066131695.db2.gz TYMUXQXEXVFQPB-LJQANCHMSA-N 0 0 457.452 4.903 20 0 JJADRN COc1nsc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1Br ZINC001442507244 1066131941 /nfs/dbraw/zinc/13/19/41/1066131941.db2.gz ZGRREZIWCQNSLU-NSHDSACASA-N 0 0 450.383 4.896 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001360976527 1066132144 /nfs/dbraw/zinc/13/21/44/1066132144.db2.gz JVMNAQVPAQLOPX-IRXDYDNUSA-N 0 0 454.644 4.988 20 0 JJADRN Cc1ccoc1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360976646 1066132162 /nfs/dbraw/zinc/13/21/62/1066132162.db2.gz NVXHBKQMLCACFA-UHFFFAOYSA-N 0 0 477.512 4.961 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC001442526952 1066132631 /nfs/dbraw/zinc/13/26/31/1066132631.db2.gz IWHVLZVSJCEXPA-ILZDJORESA-N 0 0 459.612 4.969 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)CC2=O)cc1 ZINC001442527217 1066133035 /nfs/dbraw/zinc/13/30/35/1066133035.db2.gz HJWSPRJTVFAOQB-RTWAWAEBSA-N 0 0 454.014 4.678 20 0 JJADRN Cc1ccsc1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360976964 1066133081 /nfs/dbraw/zinc/13/30/81/1066133081.db2.gz ZTYOZSPJRABNFQ-FQEVSTJZSA-N 0 0 497.665 4.669 20 0 JJADRN Cc1ccsc1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360976965 1066133091 /nfs/dbraw/zinc/13/30/91/1066133091.db2.gz ZTYOZSPJRABNFQ-HXUWFJFHSA-N 0 0 497.665 4.669 20 0 JJADRN Cc1ccoc1Cn1c(N(C)Cc2ccc(Br)s2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360976990 1066133686 /nfs/dbraw/zinc/13/36/86/1066133686.db2.gz ATFOKUUTIGHORB-NRFANRHFSA-N 0 0 495.443 4.729 20 0 JJADRN Cc1c(Cn2c(COc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)cnn1CC(C)C ZINC001360977003 1066133741 /nfs/dbraw/zinc/13/37/41/1066133741.db2.gz BEBINZFTTFORIT-UHFFFAOYSA-N 0 0 484.620 4.599 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360977012 1066133787 /nfs/dbraw/zinc/13/37/87/1066133787.db2.gz BJCDNZHXMMBVQA-OKZBNKHCSA-N 0 0 455.559 4.789 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC001442532044 1066133778 /nfs/dbraw/zinc/13/37/78/1066133778.db2.gz MVIWRTBKGHYNQV-INIZCTEOSA-N 0 0 455.352 4.832 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)(F)C2)cnn1C ZINC001360977141 1066134298 /nfs/dbraw/zinc/13/42/98/1066134298.db2.gz FUGNKICKAFEWGP-UHFFFAOYSA-N 0 0 466.989 4.796 20 0 JJADRN Cc1csc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1I ZINC001442538025 1066134297 /nfs/dbraw/zinc/13/42/97/1066134297.db2.gz RUPJWBNUTLOSFP-NVXWUHKLSA-N 0 0 455.361 4.901 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(F)(F)F)cnn1CC(C)C ZINC001360977397 1066134684 /nfs/dbraw/zinc/13/46/84/1066134684.db2.gz ODKMMCIMZUVWRY-UHFFFAOYSA-N 0 0 470.927 4.718 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC001442542185 1066134699 /nfs/dbraw/zinc/13/46/99/1066134699.db2.gz GTKPOARQKDMOHG-LEWJYISDSA-N 0 0 455.555 4.744 20 0 JJADRN Cc1ccoc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001360977336 1066134734 /nfs/dbraw/zinc/13/47/34/1066134734.db2.gz MNRPVIRGSMLLTB-UHFFFAOYSA-N 0 0 490.073 4.721 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)cnn1CC(C)C ZINC001360977257 1066134745 /nfs/dbraw/zinc/13/47/45/1066134745.db2.gz KJNOMMZHDNFISO-UHFFFAOYSA-N 0 0 482.698 4.917 20 0 JJADRN Cc1ccsc1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360977568 1066135182 /nfs/dbraw/zinc/13/51/82/1066135182.db2.gz VFJXRIMQFLZLFM-QHCPKHFHSA-N 0 0 462.566 4.652 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCSCC2)cnn1CC(C)C ZINC001360977615 1066135747 /nfs/dbraw/zinc/13/57/47/1066135747.db2.gz WVYZFZVCLHBHHX-UHFFFAOYSA-N 0 0 495.480 4.926 20 0 JJADRN Cc1ccsc1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360977655 1066135752 /nfs/dbraw/zinc/13/57/52/1066135752.db2.gz YAJWOMGCNBTVJF-CJFMBICVSA-N 0 0 454.640 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001442547989 1066135851 /nfs/dbraw/zinc/13/58/51/1066135851.db2.gz PCFMHAKGIHYRKE-DHIUTWEWSA-N 0 0 458.599 4.639 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2[nH]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360978194 1066136060 /nfs/dbraw/zinc/13/60/60/1066136060.db2.gz OGORRBRSJWHWTD-UHFFFAOYSA-N 0 0 453.109 4.897 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@H]2COc3ccccc3O2)c2ccccc2Cl)c(OC)c1 ZINC001360978149 1066136092 /nfs/dbraw/zinc/13/60/92/1066136092.db2.gz MWYAQGPXCOHLSO-GKVSMKOHSA-N 0 0 453.922 4.793 20 0 JJADRN COc1ccc(C(=O)C[C@H](C)C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001442551048 1066136261 /nfs/dbraw/zinc/13/62/61/1066136261.db2.gz UQISLXDEFFQIAI-BWAGFHJFSA-N 0 0 458.599 4.685 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)c2ccccc2Cl)c(OC)c1 ZINC001360978536 1066136778 /nfs/dbraw/zinc/13/67/78/1066136778.db2.gz WVXYTGPUOKEMRJ-QHCPKHFHSA-N 0 0 451.910 4.870 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccn2)C1 ZINC001442552196 1066136940 /nfs/dbraw/zinc/13/69/40/1066136940.db2.gz XKIBQULTWBSHRE-FCEUIQTBSA-N 0 0 456.631 4.712 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C(=O)NCCc3ccccc3)n[nH]2)cc1 ZINC001442554552 1066137262 /nfs/dbraw/zinc/13/72/62/1066137262.db2.gz SBVDXDMCPKCBRX-UHFFFAOYSA-N 0 0 454.530 4.619 20 0 JJADRN CN(C)c1ccccc1CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001442552314 1066137283 /nfs/dbraw/zinc/13/72/83/1066137283.db2.gz YEQOOIQKPRONDF-UHFFFAOYSA-N 0 0 458.271 4.589 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N(C)Cc3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2)cc1 ZINC001360979461 1066137570 /nfs/dbraw/zinc/13/75/70/1066137570.db2.gz JIEVLQASCIKKDH-UHFFFAOYSA-N 0 0 459.571 4.523 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(OC(C)C)CC1 ZINC001360979370 1066137614 /nfs/dbraw/zinc/13/76/14/1066137614.db2.gz NEJSQFVPPYINFI-KDURUIRLSA-N 0 0 489.686 4.861 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC001442556984 1066137845 /nfs/dbraw/zinc/13/78/45/1066137845.db2.gz GTEMHXCBKLWWNN-PXDATVDWSA-N 0 0 458.986 4.502 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC(C)C)CC1 ZINC001360979585 1066138086 /nfs/dbraw/zinc/13/80/86/1066138086.db2.gz QLXVMUFBQZWDOZ-FQEVSTJZSA-N 0 0 473.618 4.694 20 0 JJADRN CC[C@@H](C)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545949966 1066138415 /nfs/dbraw/zinc/13/84/15/1066138415.db2.gz IOIDPSBQAYBCDS-BBGBUTGUSA-N 0 0 459.610 4.672 20 0 JJADRN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1NCCC1=CCCCC1 ZINC001442564901 1066138425 /nfs/dbraw/zinc/13/84/25/1066138425.db2.gz CASFHBWIGGUSTB-SANMLTNESA-N 0 0 451.586 4.931 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(Cl)c2C)cnn1C ZINC001360980623 1066138561 /nfs/dbraw/zinc/13/85/61/1066138561.db2.gz CFHKQZDGYGBTDZ-UHFFFAOYSA-N 0 0 456.381 4.682 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001360980359 1066138615 /nfs/dbraw/zinc/13/86/15/1066138615.db2.gz VJRZRGGSKNRMDE-WOJBJXKFSA-N 0 0 459.384 4.977 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 ZINC001360980477 1066138626 /nfs/dbraw/zinc/13/86/26/1066138626.db2.gz YCEQPVCKARPZGF-UHFFFAOYSA-N 0 0 454.514 4.997 20 0 JJADRN CCSCc1cccc(NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)c1 ZINC001360980463 1066138632 /nfs/dbraw/zinc/13/86/32/1066138632.db2.gz XUZIVNYRPWCLQX-UHFFFAOYSA-N 0 0 450.601 4.699 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360980655 1066139110 /nfs/dbraw/zinc/13/91/10/1066139110.db2.gz DQDULTHXUJWMKW-GOSISDBHSA-N 0 0 471.005 4.729 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360980779 1066139118 /nfs/dbraw/zinc/13/91/18/1066139118.db2.gz GXNGQQWFLKYOOC-JOCHJYFZSA-N 0 0 479.934 4.880 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981072 1066139421 /nfs/dbraw/zinc/13/94/21/1066139421.db2.gz GVDLEELGBVJZNG-HNVPCBRESA-N 0 0 463.599 4.888 20 0 JJADRN Cc1cc([C@H](C)NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)o1 ZINC001442570546 1066139635 /nfs/dbraw/zinc/13/96/35/1066139635.db2.gz MNEMSSFEGYIDSA-FQEVSTJZSA-N 0 0 454.592 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001360981493 1066140092 /nfs/dbraw/zinc/14/00/92/1066140092.db2.gz PGPHZDKCSJKCGA-FQEVSTJZSA-N 0 0 452.555 4.698 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2c(C)cccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981911 1066140655 /nfs/dbraw/zinc/14/06/55/1066140655.db2.gz YEODIPKSFHARET-DEOSSOPVSA-N 0 0 457.979 4.509 20 0 JJADRN Cc1c(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(Br)c2)cnn1CC(C)C ZINC001360981730 1066140704 /nfs/dbraw/zinc/14/07/04/1066140704.db2.gz VGCKZDSFQULGRT-OAQYLSRUSA-N 0 0 487.446 4.738 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360982182 1066141218 /nfs/dbraw/zinc/14/12/18/1066141218.db2.gz CSILWFICSSZWFT-FUHWJXTLSA-N 0 0 458.912 4.687 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C ZINC001360982002 1066141291 /nfs/dbraw/zinc/14/12/91/1066141291.db2.gz XYKJVMLVQVEHLN-CYBMUJFWSA-N 0 0 480.863 4.998 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)OC)C1 ZINC001442588264 1066141335 /nfs/dbraw/zinc/14/13/35/1066141335.db2.gz XDVBEQXZKPODHK-FQEVSTJZSA-N 0 0 450.579 4.689 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360982197 1066141588 /nfs/dbraw/zinc/14/15/88/1066141588.db2.gz DFOMDAHZUMQWFY-CVEARBPZSA-N 0 0 458.031 4.762 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360982189 1066141601 /nfs/dbraw/zinc/14/16/01/1066141601.db2.gz DBMWORDVIDXUJV-UTKZUKDTSA-N 0 0 490.048 4.975 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cnccn2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360982384 1066142099 /nfs/dbraw/zinc/14/20/99/1066142099.db2.gz KDQPDSRPGNNKAA-UHFFFAOYSA-N 0 0 450.896 4.914 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360982520 1066142146 /nfs/dbraw/zinc/14/21/46/1066142146.db2.gz NUNNXRJZHSRBOY-OXQOHEQNSA-N 0 0 476.021 4.585 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCCCC1 ZINC001360982484 1066142158 /nfs/dbraw/zinc/14/21/58/1066142158.db2.gz MZEFMMSLQIBHTJ-UHFFFAOYSA-N 0 0 487.048 4.521 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545950181 1066142230 /nfs/dbraw/zinc/14/22/30/1066142230.db2.gz MEJZMFHRAJERNM-SFHVURJKSA-N 0 0 494.681 4.588 20 0 JJADRN CCOC(=O)N1CCCN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC001442595528 1066142248 /nfs/dbraw/zinc/14/22/48/1066142248.db2.gz GHQFJXKRWKYOGC-HXUWFJFHSA-N 0 0 451.350 4.804 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCOC(C)(C)C ZINC001360982652 1066142688 /nfs/dbraw/zinc/14/26/88/1066142688.db2.gz QXKAWJWHLYIQGI-UHFFFAOYSA-N 0 0 467.017 4.778 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360982641 1066142780 /nfs/dbraw/zinc/14/27/80/1066142780.db2.gz QLLSMAJBODQPQB-QQMNAOGKSA-N 0 0 465.063 4.659 20 0 JJADRN O=C(c1ccc(NCc2ccsc2)cc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001442599552 1066142893 /nfs/dbraw/zinc/14/28/93/1066142893.db2.gz YVINBTONTIDIOC-UHFFFAOYSA-N 0 0 457.958 4.751 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001360982859 1066143121 /nfs/dbraw/zinc/14/31/21/1066143121.db2.gz XGQOVWFVXNZSJI-HXUWFJFHSA-N 0 0 490.048 4.975 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360983540 1066143836 /nfs/dbraw/zinc/14/38/36/1066143836.db2.gz COYLFYCZAXMLCG-GHTZIAJQSA-N 0 0 460.022 4.993 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360983543 1066143888 /nfs/dbraw/zinc/14/38/88/1066143888.db2.gz COYLFYCZAXMLCG-WIYYLYMNSA-N 0 0 460.022 4.993 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001360983699 1066144179 /nfs/dbraw/zinc/14/41/79/1066144179.db2.gz FQKPWSNVANJGMN-JENIJYKNSA-N 0 0 460.022 4.645 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001442606953 1066144346 /nfs/dbraw/zinc/14/43/46/1066144346.db2.gz DBISDLMXSDEWBB-QRFQSNJMSA-N 0 0 453.421 4.970 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001360984054 1066144922 /nfs/dbraw/zinc/14/49/22/1066144922.db2.gz LVPKTPPUFGLZNM-UHFFFAOYSA-N 0 0 490.048 4.589 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001360984208 1066145236 /nfs/dbraw/zinc/14/52/36/1066145236.db2.gz PBTBMVSBFCRNAZ-AEFFLSMTSA-N 0 0 468.005 4.741 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950429 1066145210 /nfs/dbraw/zinc/14/52/10/1066145210.db2.gz PWPAJFTXFJJMFM-SFTDATJTSA-N 0 0 457.619 4.500 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001360984211 1066145265 /nfs/dbraw/zinc/14/52/65/1066145265.db2.gz PBTBMVSBFCRNAZ-WMZOPIPTSA-N 0 0 468.005 4.741 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001360984209 1066145291 /nfs/dbraw/zinc/14/52/91/1066145291.db2.gz PBTBMVSBFCRNAZ-FUHWJXTLSA-N 0 0 468.005 4.741 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360984357 1066145787 /nfs/dbraw/zinc/14/57/87/1066145787.db2.gz UCTYQISZNUGSOK-HDICACEKSA-N 0 0 467.017 4.737 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360984237 1066145850 /nfs/dbraw/zinc/14/58/50/1066145850.db2.gz PYYBLTITCPVTCI-MRXNPFEDSA-N 0 0 484.029 4.928 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC2CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001360984364 1066146211 /nfs/dbraw/zinc/14/62/11/1066146211.db2.gz UKJQMAIBGCWOCO-UHFFFAOYSA-N 0 0 460.022 4.615 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360984422 1066146249 /nfs/dbraw/zinc/14/62/49/1066146249.db2.gz WIWSXJSLZHGFTA-UHFFFAOYSA-N 0 0 477.657 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)[nH]n2)C1 ZINC001442625539 1066146269 /nfs/dbraw/zinc/14/62/69/1066146269.db2.gz RXGVZHLMHSZFHL-XMSQKQJNSA-N 0 0 456.562 4.935 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442625486 1066146319 /nfs/dbraw/zinc/14/63/19/1066146319.db2.gz RCFZNDMFNMFNLS-UHFFFAOYSA-N 0 0 450.922 4.504 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ncccc2F)CC1)Oc1ccccc1F ZINC001545950574 1066146910 /nfs/dbraw/zinc/14/69/10/1066146910.db2.gz SBRNKCMGTXAHLC-GOSISDBHSA-N 0 0 471.552 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)OCc2ccc(Br)cc2Cl)C1 ZINC001360984917 1066147185 /nfs/dbraw/zinc/14/71/85/1066147185.db2.gz LBDIQEJMIJGZFA-XHDPSFHLSA-N 0 0 450.732 4.741 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc(C(F)(F)F)c1 ZINC001442657464 1066147560 /nfs/dbraw/zinc/14/75/60/1066147560.db2.gz PFJOWKLJBFPYEU-FQEVSTJZSA-N 0 0 452.498 4.759 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC1(C)C ZINC001360985545 1066147738 /nfs/dbraw/zinc/14/77/38/1066147738.db2.gz DXJOEKSVYKFJHH-LEWJYISDSA-N 0 0 453.631 4.690 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC1(C)C ZINC001360985547 1066147879 /nfs/dbraw/zinc/14/78/79/1066147879.db2.gz DXJOEKSVYKFJHH-RTWAWAEBSA-N 0 0 453.631 4.690 20 0 JJADRN CSc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)OCCO2 ZINC001442661377 1066148786 /nfs/dbraw/zinc/14/87/86/1066148786.db2.gz XEKGDBKBDOIRSL-CQSZACIVSA-N 0 0 459.568 4.545 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360985789 1066149061 /nfs/dbraw/zinc/14/90/61/1066149061.db2.gz LLRGXCPSFMCGBJ-OIBXWCBGSA-N 0 0 483.657 4.807 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545950731 1066149359 /nfs/dbraw/zinc/14/93/59/1066149359.db2.gz VQBDXVGQKZPXAP-OALUTQOASA-N 0 0 457.619 4.707 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@@H]1C ZINC001360985937 1066149600 /nfs/dbraw/zinc/14/96/00/1066149600.db2.gz PEEFVBRSSZYOCJ-PZJWPPBQSA-N 0 0 496.656 4.665 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001360986050 1066149606 /nfs/dbraw/zinc/14/96/06/1066149606.db2.gz SHXCPLYGVMCGJY-RDPSFJRHSA-N 0 0 455.647 4.620 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@H]1C(C)C ZINC001360986051 1066149617 /nfs/dbraw/zinc/14/96/17/1066149617.db2.gz SHXCPLYGVMCGJY-YKSBVNFPSA-N 0 0 455.647 4.620 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001360986048 1066149645 /nfs/dbraw/zinc/14/96/45/1066149645.db2.gz SHXCPLYGVMCGJY-GBXCKJPGSA-N 0 0 455.647 4.620 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)cc1 ZINC001442670559 1066150654 /nfs/dbraw/zinc/15/06/54/1066150654.db2.gz CFKHUCGLXGZIGA-HXUWFJFHSA-N 0 0 453.951 4.990 20 0 JJADRN Cc1noc(C)c1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986330 1066151487 /nfs/dbraw/zinc/15/14/87/1066151487.db2.gz AXEFTNWAFXHSMV-ICSRJNTNSA-N 0 0 474.005 4.761 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N(CC)C[C@H](O)c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545950810 1066151868 /nfs/dbraw/zinc/15/18/68/1066151868.db2.gz WNBBCWORTRPSKT-RTWAWAEBSA-N 0 0 459.635 4.573 20 0 JJADRN CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001442695118 1066151975 /nfs/dbraw/zinc/15/19/75/1066151975.db2.gz LBJSZIIGEMRWAI-QHCPKHFHSA-N 0 0 458.578 4.534 20 0 JJADRN Nc1nnnn1-c1cccc(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c1 ZINC001442683373 1066152007 /nfs/dbraw/zinc/15/20/07/1066152007.db2.gz VOXWYYRNBJQNRJ-UHFFFAOYSA-N 0 0 459.268 4.565 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986417 1066152134 /nfs/dbraw/zinc/15/21/34/1066152134.db2.gz CNNJSGINCZZMNY-WIYYLYMNSA-N 0 0 473.021 4.509 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1CCSC(C)C ZINC001360986407 1066152162 /nfs/dbraw/zinc/15/21/62/1066152162.db2.gz CLMGRZBKFURGOJ-UHFFFAOYSA-N 0 0 457.669 4.764 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360986480 1066152638 /nfs/dbraw/zinc/15/26/38/1066152638.db2.gz DUZHRZHKXFMBHU-GCJKJVERSA-N 0 0 453.631 4.518 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCOC2)n1CC1=CCCOC1 ZINC001360986548 1066152684 /nfs/dbraw/zinc/15/26/84/1066152684.db2.gz GGJCLWLJKAOWFD-WOJBJXKFSA-N 0 0 475.033 4.898 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CCc4cc(C(C)(C)C)ccc4C3)cc2CN1C(=O)OC(C)(C)C ZINC001442707077 1066153148 /nfs/dbraw/zinc/15/31/48/1066153148.db2.gz WKQAXZJVPJJEDB-QGZVFWFLSA-N 0 0 452.599 4.518 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCN(c3ccccc3Br)C1=O)C2 ZINC001442703758 1066153167 /nfs/dbraw/zinc/15/31/67/1066153167.db2.gz NPDHNBOQXQJGJF-IBGZPJMESA-N 0 0 455.396 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001442703151 1066153181 /nfs/dbraw/zinc/15/31/81/1066153181.db2.gz NMVFLVQTMASQNS-QHCPKHFHSA-N 0 0 450.579 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccco2)n1CCCc1cnn(C)n1 ZINC001360986596 1066153216 /nfs/dbraw/zinc/15/32/16/1066153216.db2.gz HVAVOLHEKDJYJR-SFHVURJKSA-N 0 0 484.004 4.679 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1COCCO1 ZINC001360986606 1066153261 /nfs/dbraw/zinc/15/32/61/1066153261.db2.gz IHFPHGMPXXHUBY-GHTZIAJQSA-N 0 0 474.989 4.642 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CCCC(=O)NC1CC1 ZINC001360986669 1066153619 /nfs/dbraw/zinc/15/36/19/1066153619.db2.gz JNOHEVKYOZQMCA-YLJYHZDGSA-N 0 0 492.089 4.689 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cs1)C(N)=O ZINC001442709167 1066153622 /nfs/dbraw/zinc/15/36/22/1066153622.db2.gz OBONIFIPMVQPOW-FOIQADDNSA-N 0 0 454.621 4.853 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001442708956 1066153630 /nfs/dbraw/zinc/15/36/30/1066153630.db2.gz NOZBTDDMHRITRU-AFMDSPMNSA-N 0 0 453.583 4.950 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCc1nccnc1C ZINC001360986677 1066153639 /nfs/dbraw/zinc/15/36/39/1066153639.db2.gz JPYAKHRFCQDFMW-VQTJNVASSA-N 0 0 485.032 4.502 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC001442711013 1066154291 /nfs/dbraw/zinc/15/42/91/1066154291.db2.gz UGZXJZTWYQCALD-KBMIEXCESA-N 0 0 455.555 4.622 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC(F)C2)n1Cc1ccn(C)n1 ZINC001360986704 1066154340 /nfs/dbraw/zinc/15/43/40/1066154340.db2.gz JZTFAUHHYICMAN-LRYGQEGESA-N 0 0 460.985 4.654 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)C2)n1CCc1ccn(C)n1 ZINC001360986745 1066154657 /nfs/dbraw/zinc/15/46/57/1066154657.db2.gz LBJVLOZDIIMTKL-ZJRDLVKKSA-N 0 0 475.012 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1(C)CCC1 ZINC001360986776 1066154716 /nfs/dbraw/zinc/15/47/16/1066154716.db2.gz LSNWPDDZSXKPQO-ZWKOTPCHSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1CCC(C)(C)C1CC1 ZINC001360986782 1066154728 /nfs/dbraw/zinc/15/47/28/1066154728.db2.gz LYPYCJJPLRMOQV-UHFFFAOYSA-N 0 0 460.626 4.782 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 ZINC001360986916 1066155547 /nfs/dbraw/zinc/15/55/47/1066155547.db2.gz OXEJIVLDLGIFAG-SFHVURJKSA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360986872 1066155569 /nfs/dbraw/zinc/15/55/69/1066155569.db2.gz OESSPOFIDBWIRK-KRWDZBQOSA-N 0 0 483.078 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2nccs2)n1CC1(C)COC1 ZINC001360986976 1066156035 /nfs/dbraw/zinc/15/60/35/1066156035.db2.gz QFTMVNOXYDCWMW-INIZCTEOSA-N 0 0 462.019 4.818 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccnc1)C(C)C ZINC001360986985 1066156063 /nfs/dbraw/zinc/15/60/63/1066156063.db2.gz QHPAUDFEMHEKKG-XZOQPEGZSA-N 0 0 476.625 4.656 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001360987017 1066156309 /nfs/dbraw/zinc/15/63/09/1066156309.db2.gz QXFZBRVTHHTZKP-BWKNWUBXSA-N 0 0 481.666 4.683 20 0 JJADRN C[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC001442745384 1066156421 /nfs/dbraw/zinc/15/64/21/1066156421.db2.gz CHGPIRGRXYRXBM-LBPRGKRZSA-N 0 0 454.365 4.566 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCC1(C)CC1 ZINC001360987080 1066156618 /nfs/dbraw/zinc/15/66/18/1066156618.db2.gz RWRAUXOSKJUTHP-MSOLQXFVSA-N 0 0 483.078 4.748 20 0 JJADRN CC(C)CCOC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC001442748659 1066156880 /nfs/dbraw/zinc/15/68/80/1066156880.db2.gz LVSHCEFEXXEGRL-VWLOTQADSA-N 0 0 452.595 4.578 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1cnnn1C ZINC001360987093 1066156972 /nfs/dbraw/zinc/15/69/72/1066156972.db2.gz RZXJLYNKDMCFMR-SJORKVTESA-N 0 0 469.977 4.656 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(C)(C)c1ccccn1 ZINC001360987155 1066157369 /nfs/dbraw/zinc/15/73/69/1066157369.db2.gz UAGUYGFSIQAAJA-OALUTQOASA-N 0 0 499.059 4.761 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC001442760782 1066157535 /nfs/dbraw/zinc/15/75/35/1066157535.db2.gz CHWAYLNTSRYBMR-YQQAZPJKSA-N 0 0 452.946 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC001442759731 1066157559 /nfs/dbraw/zinc/15/75/59/1066157559.db2.gz MECJZPIHENYGFB-UXHICEINSA-N 0 0 454.571 4.827 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC001442760196 1066157769 /nfs/dbraw/zinc/15/77/69/1066157769.db2.gz SAAPXKQRGZPRLH-LJQANCHMSA-N 0 0 458.400 4.703 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001442760777 1066157779 /nfs/dbraw/zinc/15/77/79/1066157779.db2.gz NBSKKAZBVBWXFI-SFHVURJKSA-N 0 0 458.356 4.523 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H]1CCOC1 ZINC001360987265 1066158089 /nfs/dbraw/zinc/15/80/89/1066158089.db2.gz WLWCXAQPPOOFQW-AABGKKOBSA-N 0 0 463.022 4.588 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC001442762509 1066158238 /nfs/dbraw/zinc/15/82/38/1066158238.db2.gz HXYIOIOABPQMEY-RPWUZVMVSA-N 0 0 459.030 4.641 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001545951755 1066158587 /nfs/dbraw/zinc/15/85/87/1066158587.db2.gz CCJPGQQSRSYZMQ-PMACEKPBSA-N 0 0 457.619 4.938 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001545951756 1066158608 /nfs/dbraw/zinc/15/86/08/1066158608.db2.gz CCJPGQQSRSYZMQ-UXHICEINSA-N 0 0 457.619 4.938 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccccc1Cl)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360988550 1066159046 /nfs/dbraw/zinc/15/90/46/1066159046.db2.gz IWWGPIKINZASMY-JOCHJYFZSA-N 0 0 452.913 4.936 20 0 JJADRN CC(C)n1cc2cc(NC(=O)[C@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2n1 ZINC001360988940 1066159067 /nfs/dbraw/zinc/15/90/67/1066159067.db2.gz UMBCAYCIIWMERT-HXUWFJFHSA-N 0 0 455.356 4.509 20 0 JJADRN COc1cccc(COC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1OC(F)F ZINC001360988320 1066159076 /nfs/dbraw/zinc/15/90/76/1066159076.db2.gz AHSSOOPBUMDZFN-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN CN(C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001360989046 1066159508 /nfs/dbraw/zinc/15/95/08/1066159508.db2.gz XMXPQEGDRGQBNK-QGZVFWFLSA-N 0 0 459.493 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001360989194 1066159826 /nfs/dbraw/zinc/15/98/26/1066159826.db2.gz AOTYGBBJILKCLS-VQIMIIECSA-N 0 0 462.038 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1[C@H]1C[C@@H]1C ZINC001360989236 1066160078 /nfs/dbraw/zinc/16/00/78/1066160078.db2.gz BFEIOSQGOHLZMJ-NQYLQCIDSA-N 0 0 460.022 4.751 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1nccn1C(F)F ZINC001360989400 1066161172 /nfs/dbraw/zinc/16/11/72/1066161172.db2.gz DNMTYPIMMOPOFB-BRWVUGGUSA-N 0 0 494.974 4.942 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@]1(C)COCCO1 ZINC001360989518 1066161871 /nfs/dbraw/zinc/16/18/71/1066161871.db2.gz GNZAYDGNJUGLMO-NRAIQUKZSA-N 0 0 495.089 4.824 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCc1ccn(C)n1 ZINC001360989536 1066161908 /nfs/dbraw/zinc/16/19/08/1066161908.db2.gz GTCRYVVJZHUIPK-LPHOPBHVSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001360989620 1066162498 /nfs/dbraw/zinc/16/24/98/1066162498.db2.gz HVPVEDHGODCCKX-KURKYZTESA-N 0 0 496.002 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001360989619 1066162504 /nfs/dbraw/zinc/16/25/04/1066162504.db2.gz HVPVEDHGODCCKX-KSZLIROESA-N 0 0 496.002 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CC(=O)NC1CCCCC1 ZINC001360989618 1066162554 /nfs/dbraw/zinc/16/25/54/1066162554.db2.gz HUDPKSFONKBKKR-QGZVFWFLSA-N 0 0 496.002 4.983 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(CCC(C)C)C2CC2)n1C[C@@]1(O)CCOC1 ZINC001360989678 1066162805 /nfs/dbraw/zinc/16/28/05/1066162805.db2.gz JAWZWEZFHHMUEM-DFBJGRDBSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CC1=CCCCC1 ZINC001360989674 1066162838 /nfs/dbraw/zinc/16/28/38/1066162838.db2.gz IYYQOXWGIDARBS-SFHVURJKSA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360989702 1066163181 /nfs/dbraw/zinc/16/31/81/1066163181.db2.gz JKSHVEBTBXJUOM-WMZOPIPTSA-N 0 0 452.933 4.879 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C)CC2)n1CC(=O)NC(C)C ZINC001360989802 1066163935 /nfs/dbraw/zinc/16/39/35/1066163935.db2.gz KXZNGAIUCXXMPV-LPHOPBHVSA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCCN1CCOC1=O ZINC001360989833 1066164209 /nfs/dbraw/zinc/16/42/09/1066164209.db2.gz LJTADFMNGRHRKZ-KFKAGJAMSA-N 0 0 476.021 4.765 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]2C(C)C)n1CCNC(=O)C1CC1 ZINC001360989860 1066164214 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/nfs/dbraw/zinc/16/72/25/1066167225.db2.gz SXAJZUNCSHVQAT-YSIASYRMSA-N 0 0 483.078 4.776 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CC1(O)CCCCC1 ZINC001360990315 1066167276 /nfs/dbraw/zinc/16/72/76/1066167276.db2.gz SUYUODZJUPEZOR-FQEVSTJZSA-N 0 0 487.048 4.716 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCn1cncn1 ZINC001360990294 1066167315 /nfs/dbraw/zinc/16/73/15/1066167315.db2.gz SEANUJRDBDZYPG-RTBURBONSA-N 0 0 472.037 4.852 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001360990427 1066167566 /nfs/dbraw/zinc/16/75/66/1066167566.db2.gz VMEMUUZQHLJGDP-AAIMPIBUSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC(=O)NC(C)C ZINC001360990557 1066168253 /nfs/dbraw/zinc/16/82/53/1066168253.db2.gz XKKQNWHIMDABHG-HNNXBMFYSA-N 0 0 475.943 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCC1CC1 ZINC001360990627 1066168452 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Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@H]2C)n1C[C@H]1NC(=O)CC1(C)C ZINC001360992795 1066172605 /nfs/dbraw/zinc/17/26/05/1066172605.db2.gz UTYOSAIGCBYXGB-ZHALLVOQSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCOCC2)n1C[C@H]1CCOC[C@@H]1C ZINC001360993048 1066172862 /nfs/dbraw/zinc/17/28/62/1066172862.db2.gz XQCRRHLOVKMHLC-XUVXKRRUSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCCO1 ZINC001360993111 1066173078 /nfs/dbraw/zinc/17/30/78/1066173078.db2.gz YXDUKDPVIRLOTQ-NXHRZFHOSA-N 0 0 488.938 4.635 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@@H]3C)CC2)c(C)o1 ZINC001360995135 1066174287 /nfs/dbraw/zinc/17/42/87/1066174287.db2.gz NOKJZLALOHQMFT-FXAWDEMLSA-N 0 0 455.647 4.912 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCO[C@H](C)C3)CC2)c(C)o1 ZINC001360995078 1066174315 /nfs/dbraw/zinc/17/43/15/1066174315.db2.gz LLTMWDSRYXZIGF-NQIIRXRSSA-N 0 0 485.673 4.681 20 0 JJADRN 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Cc1cc([C@@](C)(O)Cn2c(C)nnc2N2Cc3cc(Br)ccc3[C@H](C)C2)c(C)o1 ZINC001360998095 1066177035 /nfs/dbraw/zinc/17/70/35/1066177035.db2.gz UKXGJQUWDSNECB-DMZKTXOQSA-N 0 0 459.388 4.590 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)OC2CCCC2)c(C)o1 ZINC001360998104 1066177343 /nfs/dbraw/zinc/17/73/43/1066177343.db2.gz UMEOHVAWSDFXBK-IQGLISFBSA-N 0 0 472.561 4.985 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)OC2CCCC2)c(C)o1 ZINC001360998102 1066177367 /nfs/dbraw/zinc/17/73/67/1066177367.db2.gz UMEOHVAWSDFXBK-BVZFJXPGSA-N 0 0 472.561 4.985 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)o1 ZINC001360998422 1066177728 /nfs/dbraw/zinc/17/77/28/1066177728.db2.gz BGDZPJFVMYEDTN-IZWRIEGDSA-N 0 0 470.639 4.598 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)c(C)o1 ZINC001360998328 1066177737 /nfs/dbraw/zinc/17/77/37/1066177737.db2.gz ZFYBMLHAYIWDLV-HHJKRLRDSA-N 0 0 489.016 4.662 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@@H](C)C2)c(C)o1 ZINC001360998333 1066177756 /nfs/dbraw/zinc/17/77/56/1066177756.db2.gz ZGRRIBQGFMSHEL-QKKBWIMNSA-N 0 0 495.443 4.502 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccnc3)nnc2N(C)CCCOc2ccc(F)cc2)c(C)o1 ZINC001360999448 1066177963 /nfs/dbraw/zinc/17/79/63/1066177963.db2.gz MOISRTSWZUAQIC-AREMUKBSSA-N 0 0 479.556 4.502 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)o1 ZINC001360998579 1066177969 /nfs/dbraw/zinc/17/79/69/1066177969.db2.gz DPEYEQSANNBNJU-SIBVEZHUSA-N 0 0 484.645 4.875 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N(Cc2ccco2)C[C@@H]2CCCO2)c(C)o1 ZINC001361000354 1066178615 /nfs/dbraw/zinc/17/86/15/1066178615.db2.gz TZWKQIFUBVJQSQ-LVXARBLLSA-N 0 0 470.614 4.763 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001361001606 1066179096 /nfs/dbraw/zinc/17/90/96/1066179096.db2.gz WDXGYVNKWRJQBS-UGKGYDQZSA-N 0 0 457.393 4.970 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361002132 1066179101 /nfs/dbraw/zinc/17/91/01/1066179101.db2.gz AIMGBOJJBHAQTB-HSZRJFAPSA-N 0 0 472.014 4.733 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001361001603 1066179117 /nfs/dbraw/zinc/17/91/17/1066179117.db2.gz WDXGYVNKWRJQBS-DENIHFKCSA-N 0 0 457.393 4.970 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N2CCCC(C)(C)C2)c(C)o1 ZINC001361002537 1066179569 /nfs/dbraw/zinc/17/95/69/1066179569.db2.gz FEKRGOARLCNDOK-VWLOTQADSA-N 0 0 458.553 4.891 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361002559 1066179581 /nfs/dbraw/zinc/17/95/81/1066179581.db2.gz FPCVVDGLSOYETD-QHCPKHFHSA-N 0 0 472.014 4.733 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccc3F)nnc2N2CCC(OC(C)C)CC2)c(C)o1 ZINC001361002802 1066179727 /nfs/dbraw/zinc/17/97/27/1066179727.db2.gz IOYWNIHDWUSKGY-SANMLTNESA-N 0 0 470.589 4.519 20 0 JJADRN 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Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)c(C)o1 ZINC001361003426 1066181186 /nfs/dbraw/zinc/18/11/86/1066181186.db2.gz ULJXVOIXDPRBNQ-UZUQRXQVSA-N 0 0 496.505 4.892 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCC[C@@H](Nc4ccccc4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361003617 1066181412 /nfs/dbraw/zinc/18/14/12/1066181412.db2.gz XWHXNAWJVHTYLJ-QFQXNSOFSA-N 0 0 451.615 4.774 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)CCCc2ccccc2)c(C)o1 ZINC001361003709 1066181945 /nfs/dbraw/zinc/18/19/45/1066181945.db2.gz ZOUDGSSVEPIWSD-AREMUKBSSA-N 0 0 479.650 4.820 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccc3C)nnc2N(C)CCOC(C)(C)C)c(C)o1 ZINC001361003714 1066181966 /nfs/dbraw/zinc/18/19/66/1066181966.db2.gz ZPNCUDFJQXLTLS-SANMLTNESA-N 0 0 454.615 4.546 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001361004305 1066182527 /nfs/dbraw/zinc/18/25/27/1066182527.db2.gz LHGQBYPKPYKHTK-KRWDZBQOSA-N 0 0 470.499 4.736 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccoc2C)c(C)o1 ZINC001361004050 1066182534 /nfs/dbraw/zinc/18/25/34/1066182534.db2.gz HDOSSISBTLMLHQ-RQNQAMLKSA-N 0 0 470.614 4.852 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361004698 1066183118 /nfs/dbraw/zinc/18/31/18/1066183118.db2.gz RGUIQZFFGJMIJP-TZIWHRDSSA-N 0 0 464.614 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H](C)c2cccc(C)c2)o1 ZINC001361005031 1066183558 /nfs/dbraw/zinc/18/35/58/1066183558.db2.gz XPFWYNILJGTRFM-KRWDZBQOSA-N 0 0 479.522 4.981 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)ccn1 ZINC001361006661 1066184617 /nfs/dbraw/zinc/18/46/17/1066184617.db2.gz UYRLBFPZLBMYTD-ZWKOTPCHSA-N 0 0 453.445 4.577 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC001361006751 1066185353 /nfs/dbraw/zinc/18/53/53/1066185353.db2.gz AIQULPJBRYEZAB-HSALFYBXSA-N 0 0 451.640 4.864 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1 ZINC001361007450 1066187011 /nfs/dbraw/zinc/18/70/11/1066187011.db2.gz KZIWCJWETBBVKR-INIZCTEOSA-N 0 0 472.515 4.927 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007946 1066187473 /nfs/dbraw/zinc/18/74/73/1066187473.db2.gz RSANLFXNQRUXDD-XUZZJYLKSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001361007928 1066187523 /nfs/dbraw/zinc/18/75/23/1066187523.db2.gz DLMQBAAIDOLSSC-XUVXKRRUSA-N 0 0 466.548 4.797 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361007790 1066187567 /nfs/dbraw/zinc/18/75/67/1066187567.db2.gz POQLNFBWPCDGKK-MQSCRBSSSA-N 0 0 483.657 4.730 20 0 JJADRN Cc1cc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccsc3)CC2)c(C)c1 ZINC001361007899 1066187666 /nfs/dbraw/zinc/18/76/66/1066187666.db2.gz DILIUZZQGTXARK-UHFFFAOYSA-N 0 0 451.640 4.835 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC001361008088 1066188139 /nfs/dbraw/zinc/18/81/39/1066188139.db2.gz SZDIHAUSLGATOK-QFIPXVFZSA-N 0 0 451.659 4.818 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001361008241 1066188712 /nfs/dbraw/zinc/18/87/12/1066188712.db2.gz KEZWZSIWZMMLJZ-UHFFFAOYSA-N 0 0 479.572 4.657 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001361008236 1066188779 /nfs/dbraw/zinc/18/87/79/1066188779.db2.gz JXIUOTNPBTZCAF-MHECFPHRSA-N 0 0 496.574 4.698 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001361008365 1066189331 /nfs/dbraw/zinc/18/93/31/1066189331.db2.gz LHXFNRUDQVQTEZ-GOSISDBHSA-N 0 0 460.548 4.970 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001361008389 1066189374 /nfs/dbraw/zinc/18/93/74/1066189374.db2.gz LNHNWVJIYUBCMJ-UHFFFAOYSA-N 0 0 481.607 4.789 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001361008525 1066189729 /nfs/dbraw/zinc/18/97/29/1066189729.db2.gz OHWPXDCMYSSGHD-IBGZPJMESA-N 0 0 481.563 4.956 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(N(C)CC3CC(F)(F)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361008465 1066189814 /nfs/dbraw/zinc/18/98/14/1066189814.db2.gz XJDCDRRDXMXMJH-DVECYGJZSA-N 0 0 462.585 4.912 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001361008612 1066189820 /nfs/dbraw/zinc/18/98/20/1066189820.db2.gz PODBBRFXQUMALE-UHFFFAOYSA-N 0 0 481.607 4.647 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001361008842 1066190827 /nfs/dbraw/zinc/19/08/27/1066190827.db2.gz VUIDIZBYDZYADO-IBGZPJMESA-N 0 0 474.531 4.895 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001361008840 1066190942 /nfs/dbraw/zinc/19/09/42/1066190942.db2.gz VPPXALKMRXJICE-XIKOKIGWSA-N 0 0 498.347 4.618 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@H]1SCCc2ccccc21)Nc1ccccc1F ZINC001361009821 1066192015 /nfs/dbraw/zinc/19/20/15/1066192015.db2.gz HNWFWWWLBGHSDN-HSZRJFAPSA-N 0 0 450.535 4.604 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361010384 1066192674 /nfs/dbraw/zinc/19/26/74/1066192674.db2.gz BYNJQDQICGEXHV-GMAHTHKFSA-N 0 0 483.657 4.987 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361010954 1066193301 /nfs/dbraw/zinc/19/33/01/1066193301.db2.gz FJOKJEFYFFJZBJ-QFIPXVFZSA-N 0 0 490.652 4.973 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001361010501 1066193391 /nfs/dbraw/zinc/19/33/91/1066193391.db2.gz WZQMNLYUAWYOTQ-XMMPIXPASA-N 0 0 456.652 4.622 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H]2C)c(C)c1 ZINC001361011221 1066194005 /nfs/dbraw/zinc/19/40/05/1066194005.db2.gz LZNFUFZVTUBSJS-IFMALSPDSA-N 0 0 469.630 4.549 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)c(C)c1 ZINC001361011652 1066194741 /nfs/dbraw/zinc/19/47/41/1066194741.db2.gz YKDPMBGRHBIERY-UHFFFAOYSA-N 0 0 464.614 4.551 20 0 JJADRN Cc1cc(C)c(Cn2c(N3CCN(C(=O)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001361011844 1066195449 /nfs/dbraw/zinc/19/54/49/1066195449.db2.gz GGLOIUNHSDZIBC-UHFFFAOYSA-N 0 0 451.640 4.573 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCOC2CCCC2)c(C)c1 ZINC001361012166 1066196689 /nfs/dbraw/zinc/19/66/89/1066196689.db2.gz QXOXXMGXWITXMY-UHFFFAOYSA-N 0 0 455.647 4.925 20 0 JJADRN Cc1cc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C)c1 ZINC001361012186 1066196906 /nfs/dbraw/zinc/19/69/06/1066196906.db2.gz RQCXUKJZHCMDJG-KDURUIRLSA-N 0 0 487.620 4.971 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361013954 1066198966 /nfs/dbraw/zinc/19/89/66/1066198966.db2.gz ASRHIXOSAZIIPM-UHFFFAOYSA-N 0 0 463.630 4.531 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)cs1 ZINC001361014007 1066199594 /nfs/dbraw/zinc/19/95/94/1066199594.db2.gz CPSXDRZEXAOPOM-UHFFFAOYSA-N 0 0 468.671 4.874 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(C)CCCS2)c(C)c1 ZINC001361014261 1066200674 /nfs/dbraw/zinc/20/06/74/1066200674.db2.gz LFMLWQYXUODROV-SANMLTNESA-N 0 0 478.666 4.934 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2C)c(C)c1 ZINC001361014327 1066200681 /nfs/dbraw/zinc/20/06/81/1066200681.db2.gz BCNGCLRBNZXNCN-JRGCBEDISA-N 0 0 496.656 4.931 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2ccsc2)c(C)c1 ZINC001361014518 1066201123 /nfs/dbraw/zinc/20/11/23/1066201123.db2.gz PFEIKNWIGDMVFG-SANMLTNESA-N 0 0 483.682 4.836 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361014535 1066201220 /nfs/dbraw/zinc/20/12/20/1066201220.db2.gz PKMVLKJFCAYFRO-KOUNCHBCSA-N 0 0 455.647 4.680 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2)c(C)c1 ZINC001361014726 1066201833 /nfs/dbraw/zinc/20/18/33/1066201833.db2.gz TVQCTMKFASMOKD-OAQYLSRUSA-N 0 0 464.639 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCc2cc(C)cc(C)c2)o1 ZINC001361014792 1066201848 /nfs/dbraw/zinc/20/18/48/1066201848.db2.gz IVGSOWCKCLBBCV-QHCPKHFHSA-N 0 0 463.626 4.695 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)CC2)c(C)c1 ZINC001361014752 1066201866 /nfs/dbraw/zinc/20/18/66/1066201866.db2.gz HPCXVDKKBCBMPK-NFBKMPQASA-N 0 0 467.658 4.997 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361015021 1066202169 /nfs/dbraw/zinc/20/21/69/1066202169.db2.gz NKDYCMJHMHYXSR-NRFANRHFSA-N 0 0 453.631 4.708 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(CC(C)C)CC2)c(C)c1 ZINC001361014846 1066202384 /nfs/dbraw/zinc/20/23/84/1066202384.db2.gz ULOKXAXFNPURJC-UHFFFAOYSA-N 0 0 461.614 4.562 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361015171 1066202699 /nfs/dbraw/zinc/20/26/99/1066202699.db2.gz PJLIPQRYIKQDNH-NZQKXSOJSA-N 0 0 476.625 4.549 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)c(C)c1 ZINC001361015106 1066202949 /nfs/dbraw/zinc/20/29/49/1066202949.db2.gz ZMCWBEHPSPXWBQ-RBISFHTESA-N 0 0 497.684 4.595 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCC2(C)C)c(C)c1 ZINC001361015423 1066203466 /nfs/dbraw/zinc/20/34/66/1066203466.db2.gz YAGOVUZXJQDFCL-LEWJYISDSA-N 0 0 453.631 4.956 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC001361015905 1066203893 /nfs/dbraw/zinc/20/38/93/1066203893.db2.gz DHFLHWHBQSAEPP-FQEVSTJZSA-N 0 0 456.589 4.731 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccn(CC(F)(F)F)n1)C1CC1 ZINC001361016070 1066203930 /nfs/dbraw/zinc/20/39/30/1066203930.db2.gz GRKVGGXHRWLJJL-UHFFFAOYSA-N 0 0 452.477 4.588 20 0 JJADRN O=C(CCc1ccc(F)c2ccccc12)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361016322 1066204288 /nfs/dbraw/zinc/20/42/88/1066204288.db2.gz LUTRTIGCHVWLAZ-HHHXNRCGSA-N 0 0 454.545 4.955 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361017103 1066205136 /nfs/dbraw/zinc/20/51/36/1066205136.db2.gz JKOSTHVNSXQAEE-SZPZYZBQSA-N 0 0 497.684 4.866 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCc2cc(C)cc(C)c2)cs1 ZINC001361017187 1066205599 /nfs/dbraw/zinc/20/55/99/1066205599.db2.gz LOGGQELBCSAGSI-UHFFFAOYSA-N 0 0 492.615 4.568 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2(C)C)c1 ZINC001361017331 1066206184 /nfs/dbraw/zinc/20/61/84/1066206184.db2.gz PSTABRWLFAEGCX-QFIPXVFZSA-N 0 0 483.657 4.825 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361017707 1066206757 /nfs/dbraw/zinc/20/67/57/1066206757.db2.gz AXTDUONUQSQESJ-GHTZIAJQSA-N 0 0 476.687 4.702 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361018584 1066207968 /nfs/dbraw/zinc/20/79/68/1066207968.db2.gz PFDTZIBNRBGUJM-HXUWFJFHSA-N 0 0 451.640 4.788 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2Cc2nccn2C(F)F)c1 ZINC001361018817 1066208554 /nfs/dbraw/zinc/20/85/54/1066208554.db2.gz SUYOKHNOSRZCPV-KRWDZBQOSA-N 0 0 456.497 4.904 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[C@@H]2COCCO2)c1 ZINC001361019383 1066209347 /nfs/dbraw/zinc/20/93/47/1066209347.db2.gz ZUTQANKPFWDIRT-VQTJNVASSA-N 0 0 456.612 4.538 20 0 JJADRN C[C@H]1CSCCN1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC001361019996 1066209908 /nfs/dbraw/zinc/20/99/08/1066209908.db2.gz MPMNCESIMOEZPA-AWEZNQCLSA-N 0 0 452.548 4.596 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001361020076 1066209958 /nfs/dbraw/zinc/20/99/58/1066209958.db2.gz NUMKXDDCKBWPSV-HXUWFJFHSA-N 0 0 450.922 4.542 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC001361019864 1066210073 /nfs/dbraw/zinc/21/00/73/1066210073.db2.gz JUEXSTYPLDJBBN-LJQANCHMSA-N 0 0 457.958 4.637 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361020632 1066210359 /nfs/dbraw/zinc/21/03/59/1066210359.db2.gz BGCYWLXJIVCSGO-JIPXPUAJSA-N 0 0 478.641 4.575 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2scnc2C)cs1 ZINC001361020623 1066210370 /nfs/dbraw/zinc/21/03/70/1066210370.db2.gz AWXYUDQYQPHMDS-UHFFFAOYSA-N 0 0 468.652 4.883 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001361020647 1066210679 /nfs/dbraw/zinc/21/06/79/1066210679.db2.gz BQXURJVYFVATKF-SFHVURJKSA-N 0 0 479.654 4.721 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361020741 1066211025 /nfs/dbraw/zinc/21/10/25/1066211025.db2.gz FYAXQXZPKNYLNH-GOSISDBHSA-N 0 0 499.578 4.975 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)noc2C)s1 ZINC001361020849 1066211991 /nfs/dbraw/zinc/21/19/91/1066211991.db2.gz KERRNQSDERAMAE-UHFFFAOYSA-N 0 0 452.584 4.528 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001361021148 1066213822 /nfs/dbraw/zinc/21/38/22/1066213822.db2.gz RLJHTQDATAZWFH-UXHICEINSA-N 0 0 455.628 4.772 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361021369 1066214488 /nfs/dbraw/zinc/21/44/88/1066214488.db2.gz VXYALDPACMCHSS-HSZRJFAPSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2CCCCO2)c1 ZINC001361021393 1066215189 /nfs/dbraw/zinc/21/51/89/1066215189.db2.gz WRPGVANVMDFJCC-OAQYLSRUSA-N 0 0 455.990 4.728 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361022221 1066216884 /nfs/dbraw/zinc/21/68/84/1066216884.db2.gz JJXIYKOUUONFIV-HXUWFJFHSA-N 0 0 489.542 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361022166 1066216908 /nfs/dbraw/zinc/21/69/08/1066216908.db2.gz IEQARWOOYFQSNQ-OTNCWRBYSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CC3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361022398 1066218043 /nfs/dbraw/zinc/21/80/43/1066218043.db2.gz PCBDQMQBNVPQIW-UHFFFAOYSA-N 0 0 453.631 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCC(=O)N2CCCCC2)c1 ZINC001361022503 1066218122 /nfs/dbraw/zinc/21/81/22/1066218122.db2.gz SMBYAEGHAPQPSB-HSZRJFAPSA-N 0 0 465.642 4.669 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361022681 1066218629 /nfs/dbraw/zinc/21/86/29/1066218629.db2.gz YLURVHDOLSAXCR-FQEVSTJZSA-N 0 0 469.655 4.965 20 0 JJADRN Cc1ccc(C)c(OCCC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361022846 1066219215 /nfs/dbraw/zinc/21/92/15/1066219215.db2.gz BUWGSTPODBSPFB-RUZDIDTESA-N 0 0 455.551 4.521 20 0 JJADRN Cc1ccc(C)c(OCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361022847 1066219231 /nfs/dbraw/zinc/21/92/31/1066219231.db2.gz BUWGSTPODBSPFB-VWLOTQADSA-N 0 0 455.551 4.521 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)s1 ZINC001442775006 1066220997 /nfs/dbraw/zinc/22/09/97/1066220997.db2.gz FQOKZSRWCJWKGN-IRXDYDNUSA-N 0 0 450.605 4.619 20 0 JJADRN Cc1cc(N2CCC(NC(=O)CCSc3ccnc4cc(Cl)ccc43)CC2)nc(C)n1 ZINC001361024390 1066221748 /nfs/dbraw/zinc/22/17/48/1066221748.db2.gz VMFLLROPIGSNED-UHFFFAOYSA-N 0 0 456.015 4.562 20 0 JJADRN O=C(NCC1(O)CCC(F)(F)CC1)c1cc(Br)ccc1OCc1ccccc1 ZINC001453932068 1066221983 /nfs/dbraw/zinc/22/19/83/1066221983.db2.gz MCIXTLPDXYMKQR-UHFFFAOYSA-N 0 0 454.311 4.698 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2OC)O1 ZINC001546056102 1066222157 /nfs/dbraw/zinc/22/21/57/1066222157.db2.gz AQRNFXBQLUSDGG-SQJMNOBHSA-N 0 0 454.640 4.966 20 0 JJADRN CN1CCC[C@@H]1c1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC001442776298 1066222148 /nfs/dbraw/zinc/22/21/48/1066222148.db2.gz YPQZGSYTYQRREO-HXUWFJFHSA-N 0 0 457.456 4.700 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N(C)C)s1 ZINC001361024710 1066222600 /nfs/dbraw/zinc/22/26/00/1066222600.db2.gz PBHFMQDZLBVDOM-UHFFFAOYSA-N 0 0 493.633 4.732 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)O1 ZINC001546056195 1066222620 /nfs/dbraw/zinc/22/26/20/1066222620.db2.gz CEGIQLCGVFPCTM-PXDATVDWSA-N 0 0 469.655 4.935 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCCC2CCOCC2)c1 ZINC001361024798 1066222628 /nfs/dbraw/zinc/22/26/28/1066222628.db2.gz QFXZPSLKINSPDL-DENIHFKCSA-N 0 0 496.574 4.837 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442797850 1066223372 /nfs/dbraw/zinc/22/33/72/1066223372.db2.gz JVTHDYBLZMYOGT-MBSDFSHPSA-N 0 0 453.558 4.558 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(Nc2cccnc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442796284 1066223431 /nfs/dbraw/zinc/22/34/31/1066223431.db2.gz GQYOKMIBPIRYFQ-RUZDIDTESA-N 0 0 457.578 4.963 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1=CCSC1 ZINC001453944628 1066223932 /nfs/dbraw/zinc/22/39/32/1066223932.db2.gz ONPLIQRRWBLPQZ-DEOSSOPVSA-N 0 0 450.604 4.681 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCc4ccc(F)c(Br)c4C3)C2=O)cc1 ZINC001453942138 1066224026 /nfs/dbraw/zinc/22/40/26/1066224026.db2.gz IVMHSOFDWGLJMO-SFHVURJKSA-N 0 0 459.359 4.649 20 0 JJADRN C[C@H](CNC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1c(Cl)cccc1Cl ZINC001442802124 1066224094 /nfs/dbraw/zinc/22/40/94/1066224094.db2.gz VHOYZPKUOCSMBZ-CABCVRRESA-N 0 0 459.414 4.923 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCC1(c2cccc(C)c2)CCCC1)c1ccc(Br)cc1 ZINC001442805907 1066224662 /nfs/dbraw/zinc/22/46/62/1066224662.db2.gz BTPXCSTVCBUHQV-JOCHJYFZSA-N 0 0 457.412 4.953 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)C2)c(O)cc1Cl ZINC001453953120 1066224740 /nfs/dbraw/zinc/22/47/40/1066224740.db2.gz XZTOVIYCAHZETB-CLOONOSVSA-N 0 0 456.970 4.719 20 0 JJADRN CCCc1c(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)cnn1Cc1ccccc1 ZINC001361025549 1066224788 /nfs/dbraw/zinc/22/47/88/1066224788.db2.gz HGTQOGBSUWRRBP-UHFFFAOYSA-N 0 0 453.608 4.895 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC001361026215 1066225280 /nfs/dbraw/zinc/22/52/80/1066225280.db2.gz BNOXNSWFMODJIS-TZRRMPRUSA-N 0 0 455.526 4.768 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c(O)c1 ZINC001442807615 1066225548 /nfs/dbraw/zinc/22/55/48/1066225548.db2.gz YSKOSCQWENNAFE-FQEVSTJZSA-N 0 0 457.299 4.712 20 0 JJADRN C[C@@H](CC(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001453960699 1066226025 /nfs/dbraw/zinc/22/60/25/1066226025.db2.gz NCWKQLKQYDZQDQ-RBUKOAKNSA-N 0 0 454.652 4.876 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 ZINC001453965298 1066226083 /nfs/dbraw/zinc/22/60/83/1066226083.db2.gz MHXQJZXTEFFQPR-GOSISDBHSA-N 0 0 458.381 4.855 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc(Br)cc(N2CCCC2)c1 ZINC001442814305 1066226153 /nfs/dbraw/zinc/22/61/53/1066226153.db2.gz QBGPSKQAMLVXFX-UHFFFAOYSA-N 0 0 457.397 4.540 20 0 JJADRN CCc1ccc([C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026253 1066226307 /nfs/dbraw/zinc/22/63/07/1066226307.db2.gz CCNDXCBRWQQICD-IVCQMTBJSA-N 0 0 454.592 4.657 20 0 JJADRN O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442811961 1066226448 /nfs/dbraw/zinc/22/64/48/1066226448.db2.gz NASZXYFSCSCBJH-GFCCVEGCSA-N 0 0 452.820 4.529 20 0 JJADRN Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1C(C)C ZINC001361026524 1066226648 /nfs/dbraw/zinc/22/66/48/1066226648.db2.gz HJPHDFHWFYTWTD-AREMUKBSSA-N 0 0 451.588 4.807 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)C3)n2Cc2cccc(Br)n2)c1 ZINC001361026570 1066226664 /nfs/dbraw/zinc/22/66/64/1066226664.db2.gz CDLQYDLKJMZGBS-UHFFFAOYSA-N 0 0 478.341 4.525 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCCCS2)c1 ZINC001361026703 1066226840 /nfs/dbraw/zinc/22/68/40/1066226840.db2.gz FJJJAZBXGOANDQ-HSZRJFAPSA-N 0 0 458.672 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC([C@H]4CCCO4)CC3)n2CCCOC(F)(F)F)c1 ZINC001361026455 1066226945 /nfs/dbraw/zinc/22/69/45/1066226945.db2.gz CACBESNECZZBEO-OAQYLSRUSA-N 0 0 482.547 4.796 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545952137 1066227165 /nfs/dbraw/zinc/22/71/65/1066227165.db2.gz HXXIGPRCPSGJES-DOTOQJQBSA-N 0 0 483.535 4.706 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCC(Oc2cccc(F)c2)CC1 ZINC001453970784 1066227465 /nfs/dbraw/zinc/22/74/65/1066227465.db2.gz LOQJVBYUDXOJFE-UHFFFAOYSA-N 0 0 458.331 4.517 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@H]2Cc3ccccc3S2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027068 1066227727 /nfs/dbraw/zinc/22/77/27/1066227727.db2.gz MSCYNCDZGODZCK-DNQXCXABSA-N 0 0 451.613 4.575 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001545952214 1066227655 /nfs/dbraw/zinc/22/76/55/1066227655.db2.gz ITNONLOIEDNPAF-NHCUHLMSSA-N 0 0 470.662 4.812 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1Br ZINC001453978829 1066228435 /nfs/dbraw/zinc/22/84/35/1066228435.db2.gz LHEUXSNFDKACSD-UHFFFAOYSA-N 0 0 450.333 4.948 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCCS2)c1 ZINC001361027268 1066228861 /nfs/dbraw/zinc/22/88/61/1066228861.db2.gz ABAKNHAXWYJHNZ-LJQANCHMSA-N 0 0 482.572 4.717 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)CC3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361027201 1066229098 /nfs/dbraw/zinc/22/90/98/1066229098.db2.gz LSIXWMZXRQZBQF-UHFFFAOYSA-N 0 0 453.631 4.503 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)CCc2ccccc2C(F)(F)F)C1)Nc1cccc(F)c1 ZINC001442832566 1066229099 /nfs/dbraw/zinc/22/90/99/1066229099.db2.gz QTSAOAXTLIHPDT-INIZCTEOSA-N 0 0 451.464 4.837 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)c(=O)[nH]c2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001442834231 1066229147 /nfs/dbraw/zinc/22/91/47/1066229147.db2.gz GZNIHZGXDIDKGD-UHFFFAOYSA-N 0 0 455.234 4.623 20 0 JJADRN CC(C)(CNC(=O)CN(Cc1cccnc1)c1ccccc1)c1cccc(Br)c1 ZINC001442833091 1066229269 /nfs/dbraw/zinc/22/92/69/1066229269.db2.gz CBQQUERLZBJSDW-UHFFFAOYSA-N 0 0 452.396 4.945 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N(CCN1CCOCC1)CC1CC1 ZINC001453984066 1066229198 /nfs/dbraw/zinc/22/91/98/1066229198.db2.gz MOOXFQFMVNRTNZ-UKGKJFFASA-N 0 0 451.438 4.763 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)C3=Cc4ccccc4O[C@H]3C(F)F)CC2)c(OC)c1 ZINC001453982217 1066229284 /nfs/dbraw/zinc/22/92/84/1066229284.db2.gz SVYSGOCXGCADES-HSZRJFAPSA-N 0 0 459.489 4.528 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001361027372 1066229459 /nfs/dbraw/zinc/22/94/59/1066229459.db2.gz BVZVWLLSSYDICX-UHFFFAOYSA-N 0 0 493.555 4.635 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361027356 1066229660 /nfs/dbraw/zinc/22/96/60/1066229660.db2.gz BRIXHOILEWPLNG-AZUAARDMSA-N 0 0 464.532 4.724 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c(F)cc1F ZINC001442839861 1066229699 /nfs/dbraw/zinc/22/96/99/1066229699.db2.gz OMIZGYVJRASJSW-NSHDSACASA-N 0 0 450.429 4.878 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)O1 ZINC001546056583 1066229833 /nfs/dbraw/zinc/22/98/33/1066229833.db2.gz HOAQNXNITFOFCY-LZCXECNNSA-N 0 0 456.631 4.862 20 0 JJADRN CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)no1 ZINC001442847594 1066230653 /nfs/dbraw/zinc/23/06/53/1066230653.db2.gz RGHCMQOTOVQEEZ-DDHLJCNDSA-N 0 0 451.398 4.688 20 0 JJADRN CCC(CC)(CNC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001453991966 1066230778 /nfs/dbraw/zinc/23/07/78/1066230778.db2.gz YYJVQBNWJZSLTH-QGZVFWFLSA-N 0 0 458.578 4.761 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546057209 1066231047 /nfs/dbraw/zinc/23/10/47/1066231047.db2.gz OTTAXURTYJRQPF-PRKAKTJASA-N 0 0 497.684 4.857 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361027876 1066231342 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MXNDMGUXEOCMPS-UHFFFAOYSA-N 0 0 458.312 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001361030521 1066238039 /nfs/dbraw/zinc/23/80/39/1066238039.db2.gz PYTGDIXDUPJNTE-ZUEVXXBESA-N 0 0 474.355 4.830 20 0 JJADRN CNc1cc(C(=O)N2CCc3cc(Br)c(Br)cc3C2)cc(Cl)n1 ZINC001454039164 1066238286 /nfs/dbraw/zinc/23/82/86/1066238286.db2.gz RUICCFPRRWKCNT-UHFFFAOYSA-N 0 0 459.569 4.500 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CCCCC1 ZINC001442907648 1066238655 /nfs/dbraw/zinc/23/86/55/1066238655.db2.gz KLHRYEYWARJVAY-UHFFFAOYSA-N 0 0 452.551 4.581 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCc2ccncc2)c1 ZINC001361030910 1066238808 /nfs/dbraw/zinc/23/88/08/1066238808.db2.gz ASILBGRXRHAQRW-FQEVSTJZSA-N 0 0 459.516 4.890 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001361030766 1066238870 /nfs/dbraw/zinc/23/88/70/1066238870.db2.gz XCVHTZNTUCUQRF-UHFFFAOYSA-N 0 0 454.324 4.785 20 0 JJADRN 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ZINC001454058285 1066241617 /nfs/dbraw/zinc/24/16/17/1066241617.db2.gz IONACJKKSYXBHN-UHFFFAOYSA-N 0 0 457.571 4.835 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2cc(OCc3ccccc3)ccn2)CC1)c1ccccc1 ZINC001442927120 1066242309 /nfs/dbraw/zinc/24/23/09/1066242309.db2.gz WVFPNVPKNPQPQS-VWLOTQADSA-N 0 0 457.574 4.575 20 0 JJADRN CC(C)COC(=O)N1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001442928841 1066242571 /nfs/dbraw/zinc/24/25/71/1066242571.db2.gz QVHGFFNXFNGJKC-CJLVFECKSA-N 0 0 458.505 4.765 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)[nH]n2)c1C ZINC001442928056 1066242587 /nfs/dbraw/zinc/24/25/87/1066242587.db2.gz JVSPGXNADGJZRY-UHFFFAOYSA-N 0 0 455.990 4.779 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)O1 ZINC001546057579 1066242612 /nfs/dbraw/zinc/24/26/12/1066242612.db2.gz UVLQLSIXPFBMOP-QPPBQGQZSA-N 0 0 455.990 4.890 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(I)c[nH]1 ZINC001454066960 1066242699 /nfs/dbraw/zinc/24/26/99/1066242699.db2.gz YJONXTHDPPXKLL-UHFFFAOYSA-N 0 0 450.242 4.937 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361031691 1066243164 /nfs/dbraw/zinc/24/31/64/1066243164.db2.gz YQDJENHFMPVALL-JOCHJYFZSA-N 0 0 462.642 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC001442934096 1066243128 /nfs/dbraw/zinc/24/31/28/1066243128.db2.gz AEWYARWGSBKYLM-CQSZACIVSA-N 0 0 454.449 4.731 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361031692 1066243199 /nfs/dbraw/zinc/24/31/99/1066243199.db2.gz YQDJENHFMPVALL-QFIPXVFZSA-N 0 0 462.642 4.856 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCc4sccc4C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361031892 1066243769 /nfs/dbraw/zinc/24/37/69/1066243769.db2.gz FBQGTMREBGTVOS-UHFFFAOYSA-N 0 0 481.666 4.651 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)O1 ZINC001546057795 1066243981 /nfs/dbraw/zinc/24/39/81/1066243981.db2.gz XHWHJUNOANFYNS-CJAUYULYSA-N 0 0 460.594 4.738 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361032010 1066244302 /nfs/dbraw/zinc/24/43/02/1066244302.db2.gz HTRZKQLWJJMXHJ-VLKRCARLSA-N 0 0 458.672 4.790 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC2=CCCCC2)c1 ZINC001361031974 1066244450 /nfs/dbraw/zinc/24/44/50/1066244450.db2.gz GWARSOPBBYSOFO-DEOSSOPVSA-N 0 0 479.669 4.963 20 0 JJADRN O=C(NCc1cc(Br)ccc1OC(F)F)c1c[nH]nc1-c1c(F)cccc1F ZINC001442944174 1066244557 /nfs/dbraw/zinc/24/45/57/1066244557.db2.gz UEDULGJELHUTBZ-UHFFFAOYSA-N 0 0 458.209 4.649 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546057954 1066244742 /nfs/dbraw/zinc/24/47/42/1066244742.db2.gz ZCACGSZAEXLGBZ-YLJYHZDGSA-N 0 0 457.566 4.760 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cc3sccc3c(O)c2)CC1 ZINC001442952648 1066245012 /nfs/dbraw/zinc/24/50/12/1066245012.db2.gz BONRLMZYMJIQBP-UHFFFAOYSA-N 0 0 459.365 4.860 20 0 JJADRN O=C(Nc1cc(F)c(I)c(F)c1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001442950443 1066245052 /nfs/dbraw/zinc/24/50/52/1066245052.db2.gz FVBSXPHWTFUHHC-CYBMUJFWSA-N 0 0 458.029 4.548 20 0 JJADRN Cc1noc([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001361032111 1066245090 /nfs/dbraw/zinc/24/50/90/1066245090.db2.gz LQXPOMSPDIXQCH-WXVAWEFUSA-N 0 0 496.656 4.737 20 0 JJADRN CCN(CCOc1ccccc1OC)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 ZINC001454096037 1066245255 /nfs/dbraw/zinc/24/52/55/1066245255.db2.gz CKQRUAJDYOSOPL-UHFFFAOYSA-N 0 0 459.546 4.771 20 0 JJADRN C[C@H](O)[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 ZINC001454100118 1066245370 /nfs/dbraw/zinc/24/53/70/1066245370.db2.gz JSAQGSLGKVPIBH-KKSFZXQISA-N 0 0 451.348 4.632 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC4(CCCC4)C3)n2CCCC(=O)N(C)C)c1 ZINC001361032274 1066245464 /nfs/dbraw/zinc/24/54/64/1066245464.db2.gz PCTIMFGINJYUCM-UHFFFAOYSA-N 0 0 453.631 4.503 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCC(C)C)c1 ZINC001361032200 1066245662 /nfs/dbraw/zinc/24/56/62/1066245662.db2.gz NOSUFFFHMDSIED-JOCHJYFZSA-N 0 0 455.647 4.651 20 0 JJADRN CNc1cc(Cl)ccc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001442956496 1066245757 /nfs/dbraw/zinc/24/57/57/1066245757.db2.gz IWRCHROOEOUHFQ-UHFFFAOYSA-N 0 0 450.764 4.635 20 0 JJADRN CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1C[C@H](CC)Oc1ccccc1F ZINC001545952901 1066246300 /nfs/dbraw/zinc/24/63/00/1066246300.db2.gz QLYGFZRGLIWJHO-RXVVDRJESA-N 0 0 481.620 4.522 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCCC(C)(C)C)c1 ZINC001361032715 1066246918 /nfs/dbraw/zinc/24/69/18/1066246918.db2.gz UJWFDONUOZQSLS-JOCHJYFZSA-N 0 0 467.658 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001454117581 1066246969 /nfs/dbraw/zinc/24/69/69/1066246969.db2.gz LMZYZAGGPSUUDB-ZLVIQSSNSA-N 0 0 458.599 4.563 20 0 JJADRN CCn1c(SCC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)nnc1-c1ccccc1C ZINC001546058101 1066247060 /nfs/dbraw/zinc/24/70/60/1066247060.db2.gz CDYXJSVFRZFOGD-QGZVFWFLSA-N 0 0 456.999 4.699 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001361032868 1066247494 /nfs/dbraw/zinc/24/74/94/1066247494.db2.gz VHKPXKPYTLFWNH-QFIPXVFZSA-N 0 0 480.657 4.656 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H]2CCCSC2)c1 ZINC001361032886 1066247517 /nfs/dbraw/zinc/24/75/17/1066247517.db2.gz VMWQHUOFYRYMHC-DHIUTWEWSA-N 0 0 499.725 4.606 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001442966734 1066247559 /nfs/dbraw/zinc/24/75/59/1066247559.db2.gz FHNKEJBBATVCLR-MBSDFSHPSA-N 0 0 457.615 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361032890 1066247678 /nfs/dbraw/zinc/24/76/78/1066247678.db2.gz VMWQHUOFYRYMHC-PKTZIBPZSA-N 0 0 499.725 4.606 20 0 JJADRN C[C@@]1(CCC(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)CCC(=O)N1 ZINC001442970087 1066247654 /nfs/dbraw/zinc/24/76/54/1066247654.db2.gz SQJATQBRPUDYPW-OAQYLSRUSA-N 0 0 456.411 4.841 20 0 JJADRN CC(C)(C)n1c2ccccc2nc1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001442970352 1066247796 /nfs/dbraw/zinc/24/77/96/1066247796.db2.gz VADVNTIRWIARSG-MRXNPFEDSA-N 0 0 455.356 4.545 20 0 JJADRN Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC(C)(C)[N@H+](Cc4ccccc4)CC3(C)C)n2)c1 ZINC001454120737 1066247665 /nfs/dbraw/zinc/24/76/65/1066247665.db2.gz QMBAOUMUOPDFLS-UHFFFAOYSA-N 0 0 450.558 4.541 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Br)c2C)C1(C)C ZINC001442972917 1066248527 /nfs/dbraw/zinc/24/85/27/1066248527.db2.gz BTNUFAJXIWGJAI-IIBYNOLFSA-N 0 0 455.393 4.795 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3CCC(C)(F)F)C2)c1 ZINC001361033088 1066248815 /nfs/dbraw/zinc/24/88/15/1066248815.db2.gz XYRZGCFIZJTCRE-HXUWFJFHSA-N 0 0 458.557 4.866 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C)C3)n2Cc2cccc(Br)n2)c1 ZINC001361033181 1066248889 /nfs/dbraw/zinc/24/88/89/1066248889.db2.gz ZEBSJRCZAKUBHL-MRXNPFEDSA-N 0 0 470.415 4.916 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361033077 1066248918 /nfs/dbraw/zinc/24/89/18/1066248918.db2.gz XREFRMXPVJVQRK-UXHICEINSA-N 0 0 482.547 4.591 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[C@@H](N(C)C(=O)N(C)C)C3)c2C1 ZINC001454137997 1066249316 /nfs/dbraw/zinc/24/93/16/1066249316.db2.gz WXYGTTDTIKDJCH-RBUKOAKNSA-N 0 0 450.627 4.604 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC[C@@H](N(C)C(=O)N(C)C)C3)c2C1 ZINC001454137999 1066249436 /nfs/dbraw/zinc/24/94/36/1066249436.db2.gz WXYGTTDTIKDJCH-RTBURBONSA-N 0 0 450.627 4.604 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCS2)c1 ZINC001361033223 1066249513 /nfs/dbraw/zinc/24/95/13/1066249513.db2.gz ZXCBXCZMJVSCQG-UNMCSNQZSA-N 0 0 485.698 4.501 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001442977926 1066249822 /nfs/dbraw/zinc/24/98/22/1066249822.db2.gz SSMSCSYQKQSNIV-UHFFFAOYSA-N 0 0 455.407 4.650 20 0 JJADRN COC(=O)C(C)(C)n1cc(NC(=O)c2ccccc2Oc2cccc(Br)c2)cn1 ZINC001454146613 1066249885 /nfs/dbraw/zinc/24/98/85/1066249885.db2.gz KYMAXNDUDYLASE-UHFFFAOYSA-N 0 0 458.312 4.598 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001361034649 1066250384 /nfs/dbraw/zinc/25/03/84/1066250384.db2.gz ZOYBFFKCEARXHF-INIZCTEOSA-N 0 0 458.345 4.991 20 0 JJADRN O=C(Nc1ccc([C@H]2NC(=O)NC2=O)cc1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001454164719 1066250616 /nfs/dbraw/zinc/25/06/16/1066250616.db2.gz UNHWYZPXGXRJLN-LJQANCHMSA-N 0 0 456.285 4.919 20 0 JJADRN O=C(Nc1ccc([C@@H]2NC(=O)NC2=O)cc1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001454159361 1066250656 /nfs/dbraw/zinc/25/06/56/1066250656.db2.gz LKTNRXAIQHBNRT-AWEZNQCLSA-N 0 0 453.829 4.706 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361034776 1066250947 /nfs/dbraw/zinc/25/09/47/1066250947.db2.gz CSYODKUQBQILNO-PKTZIBPZSA-N 0 0 467.658 4.605 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001443001914 1066250994 /nfs/dbraw/zinc/25/09/94/1066250994.db2.gz ATOGCIZYCPAHTR-UHFFFAOYSA-N 0 0 450.535 4.658 20 0 JJADRN CCCc1ccc([C@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001442996456 1066251364 /nfs/dbraw/zinc/25/13/64/1066251364.db2.gz MKKYOVHKNJNUPT-GJZUVCINSA-N 0 0 457.615 4.998 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)C(C)(C)C ZINC001454181996 1066251395 /nfs/dbraw/zinc/25/13/95/1066251395.db2.gz IZJPFVOQQAISKE-OAQYLSRUSA-N 0 0 455.574 4.993 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361034987 1066251600 /nfs/dbraw/zinc/25/16/00/1066251600.db2.gz LUOATNKPQUKVGW-FCHUYYIVSA-N 0 0 467.658 4.605 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)Cc2cccs2)c1 ZINC001361034828 1066251642 /nfs/dbraw/zinc/25/16/42/1066251642.db2.gz FOHYFWJGJIJCBN-QFIPXVFZSA-N 0 0 495.693 4.719 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001443005735 1066251837 /nfs/dbraw/zinc/25/18/37/1066251837.db2.gz CCCNFCHFFZXNDA-QGZVFWFLSA-N 0 0 450.391 4.538 20 0 JJADRN CCC[C@@H](C(=O)NC1(C)CCOCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001546058576 1066251880 /nfs/dbraw/zinc/25/18/80/1066251880.db2.gz SFVCPFYOSRUDSM-DEOSSOPVSA-N 0 0 450.579 4.721 20 0 JJADRN O=C(c1cc2ccc(F)cc2s1)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001454189299 1066251991 /nfs/dbraw/zinc/25/19/91/1066251991.db2.gz IGOMYDDAQOLPLD-UHFFFAOYSA-N 0 0 451.445 4.636 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001454184900 1066252005 /nfs/dbraw/zinc/25/20/05/1066252005.db2.gz WNDSAGBERIFBAZ-UHFFFAOYSA-N 0 0 455.331 4.647 20 0 JJADRN CCCc1sc(C(=O)N2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)cc1CC ZINC001454192309 1066252537 /nfs/dbraw/zinc/25/25/37/1066252537.db2.gz RCDXIXQJEWCDOA-UHFFFAOYSA-N 0 0 453.530 4.858 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001443010122 1066252569 /nfs/dbraw/zinc/25/25/69/1066252569.db2.gz UYEGCAVUYYUTNG-UHFFFAOYSA-N 0 0 455.417 4.531 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001443010644 1066252830 /nfs/dbraw/zinc/25/28/30/1066252830.db2.gz WNPKRBYDHPEACD-UHFFFAOYSA-N 0 0 452.507 4.564 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@]2(C)CCCS2)c1 ZINC001361035151 1066253089 /nfs/dbraw/zinc/25/30/89/1066253089.db2.gz RIYSRCYZXBXVMZ-CVDCTZTESA-N 0 0 497.631 4.832 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CC1 ZINC001443015198 1066253336 /nfs/dbraw/zinc/25/33/36/1066253336.db2.gz LAEHSJKVTBATEP-HNNXBMFYSA-N 0 0 455.462 4.719 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC001454198322 1066253337 /nfs/dbraw/zinc/25/33/37/1066253337.db2.gz SHIILNFNCGWMNH-HNNXBMFYSA-N 0 0 458.393 4.769 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(C)o1 ZINC001361035776 1066254430 /nfs/dbraw/zinc/25/44/30/1066254430.db2.gz NCHFDQWKLUGJTR-UFHPHHKVSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001361035576 1066254446 /nfs/dbraw/zinc/25/44/46/1066254446.db2.gz ZSWNTWSHGNHZSZ-QUCCMNQESA-N 0 0 484.588 4.775 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(c2nc(C)no2)CC1)OC ZINC001545953191 1066254974 /nfs/dbraw/zinc/25/49/74/1066254974.db2.gz UZZDCWYAACBRKY-PZJWPPBQSA-N 0 0 482.629 4.709 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001443025146 1066255375 /nfs/dbraw/zinc/25/53/75/1066255375.db2.gz YUGNHNXXDHLWRY-IFMALSPDSA-N 0 0 456.514 4.528 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC001454217388 1066255747 /nfs/dbraw/zinc/25/57/47/1066255747.db2.gz JMZPGFCVLWUVQB-LBPRGKRZSA-N 0 0 458.747 4.964 20 0 JJADRN CC(C)c1ccc(Sc2ccc(NC(=O)CCNS(=O)(=O)c3cccnc3)cc2)cc1 ZINC001443022698 1066255630 /nfs/dbraw/zinc/25/56/30/1066255630.db2.gz SLGGWBRXNPIIHY-UHFFFAOYSA-N 0 0 455.605 4.663 20 0 JJADRN Cn1cc(-c2nc(C(=O)NCC3(c4ccc(Br)cc4)CCCCC3)cs2)cn1 ZINC001361037703 1066255781 /nfs/dbraw/zinc/25/57/81/1066255781.db2.gz OGMZMYUFRUQHPB-UHFFFAOYSA-N 0 0 459.413 4.938 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC(C)(C)C2)c(C)o1 ZINC001361037907 1066255810 /nfs/dbraw/zinc/25/58/10/1066255810.db2.gz CAPJZCADVOJIOM-AREMUKBSSA-N 0 0 484.666 4.923 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC(C)(C)C2)c(C)o1 ZINC001361037908 1066255870 /nfs/dbraw/zinc/25/58/70/1066255870.db2.gz CAPJZCADVOJIOM-SANMLTNESA-N 0 0 484.666 4.923 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCC(c2ccc(F)cn2)CC1 ZINC001454225756 1066256432 /nfs/dbraw/zinc/25/64/32/1066256432.db2.gz DPTPRTXRDNXTSG-UHFFFAOYSA-N 0 0 454.523 4.912 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(C)nc2)c1 ZINC001361038047 1066256471 /nfs/dbraw/zinc/25/64/71/1066256471.db2.gz DAFRVCYKRCPKOS-HSZRJFAPSA-N 0 0 451.640 4.803 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](c4nccs4)C3)n2CCSC(C)C)c1 ZINC001361038125 1066256573 /nfs/dbraw/zinc/25/65/73/1066256573.db2.gz FXJQZORTQDZBJV-HXUWFJFHSA-N 0 0 473.668 4.650 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001443033252 1066256834 /nfs/dbraw/zinc/25/68/34/1066256834.db2.gz XIHSQBRPSDYYDD-HMWXGYMHSA-N 0 0 455.146 4.808 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)OC ZINC001545953583 1066256923 /nfs/dbraw/zinc/25/69/23/1066256923.db2.gz ZXBQMHULMRRDMC-DFQSSKMNSA-N 0 0 483.579 4.533 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361038295 1066256949 /nfs/dbraw/zinc/25/69/49/1066256949.db2.gz HHGREZWEWLMIOL-LLZJGCNPSA-N 0 0 470.658 4.786 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H]2CCSC2)c1 ZINC001361038283 1066256969 /nfs/dbraw/zinc/25/69/69/1066256969.db2.gz HDKFCPPGWIENHX-CJFMBICVSA-N 0 0 458.672 4.868 20 0 JJADRN O=C(NCC1(c2c(F)cccc2F)CCCC1)c1ccc(I)c(O)c1 ZINC001443039348 1066257508 /nfs/dbraw/zinc/25/75/08/1066257508.db2.gz CNAJKAKKYWPCGC-UHFFFAOYSA-N 0 0 457.258 4.517 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C)C3)n2Cc2cscc2C(F)(F)F)c1 ZINC001361038758 1066257627 /nfs/dbraw/zinc/25/76/27/1066257627.db2.gz OFJLNHCLPVEIAV-MRXNPFEDSA-N 0 0 466.529 4.828 20 0 JJADRN Cn1cc([C@@H]2N(C(=O)c3cccnc3Sc3ccc(Br)cc3)CC2(C)C)cn1 ZINC001454249319 1066257832 /nfs/dbraw/zinc/25/78/32/1066257832.db2.gz SRAIDBKRRIMJDJ-SFHVURJKSA-N 0 0 457.397 4.952 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2CCC(F)(F)CC2)c1 ZINC001361038895 1066258435 /nfs/dbraw/zinc/25/84/35/1066258435.db2.gz SAYCLXNDVCOZDX-QHCPKHFHSA-N 0 0 492.611 4.930 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001361038909 1066258533 /nfs/dbraw/zinc/25/85/33/1066258533.db2.gz SKOJVGLCSVOWGD-QFQXNSOFSA-N 0 0 456.631 4.542 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(O)c3)CC2)n1 ZINC001454254498 1066258579 /nfs/dbraw/zinc/25/85/79/1066258579.db2.gz ZSUWJFQRCLDTCW-UHFFFAOYSA-N 0 0 457.452 4.896 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)ccc1Br ZINC001443053127 1066258888 /nfs/dbraw/zinc/25/88/88/1066258888.db2.gz YTIZRTFMWXNYGV-CXUHLZMHSA-N 0 0 459.237 4.842 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)O1 ZINC001546059066 1066259190 /nfs/dbraw/zinc/25/91/90/1066259190.db2.gz DVBJKPVAAGAPPV-MTPWMDRRSA-N 0 0 470.658 4.543 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001443052954 1066259279 /nfs/dbraw/zinc/25/92/79/1066259279.db2.gz LIXNSPLWINBSMB-IAGOWNOFSA-N 0 0 464.006 4.940 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361039124 1066259680 /nfs/dbraw/zinc/25/96/80/1066259680.db2.gz YEEPEPFEHFVNSN-LJQANCHMSA-N 0 0 485.654 4.767 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(C)nc2)c1 ZINC001361039126 1066259701 /nfs/dbraw/zinc/25/97/01/1066259701.db2.gz YEPOOLPJTLPDIB-HHHXNRCGSA-N 0 0 463.626 4.867 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(Nc3cnn(C)c3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361039251 1066259722 /nfs/dbraw/zinc/25/97/22/1066259722.db2.gz BODBCAWNLCCNJP-UHFFFAOYSA-N 0 0 451.600 4.753 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001454264201 1066259897 /nfs/dbraw/zinc/25/98/97/1066259897.db2.gz JKUJHIZTKRRWNR-VWLOTQADSA-N 0 0 450.966 4.513 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001454266021 1066260065 /nfs/dbraw/zinc/26/00/65/1066260065.db2.gz OZIGAVGJYGGSFI-MRXNPFEDSA-N 0 0 458.581 4.652 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCOC(C)(C)[C@H]2C)cnn1CC(C)C ZINC001361039190 1066260006 /nfs/dbraw/zinc/26/00/06/1066260006.db2.gz ZZLTXBMXBIKRQX-JOCHJYFZSA-N 0 0 480.657 4.687 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443057383 1066260313 /nfs/dbraw/zinc/26/03/13/1066260313.db2.gz UABOARDNZWMQPR-VGOFRKELSA-N 0 0 451.567 4.810 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC001443055079 1066260531 /nfs/dbraw/zinc/26/05/31/1066260531.db2.gz DRSWBNIUMGLYEO-HZPDHXFCSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361039356 1066260388 /nfs/dbraw/zinc/26/03/88/1066260388.db2.gz FTZBALKZFMVSNJ-CGXNFDGLSA-N 0 0 462.585 4.874 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001361039275 1066260610 /nfs/dbraw/zinc/26/06/10/1066260610.db2.gz CFIWWSYKLFPWBK-MSOLQXFVSA-N 0 0 472.684 4.597 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001454267150 1066260758 /nfs/dbraw/zinc/26/07/58/1066260758.db2.gz HTFZKMWNQNPEEB-TZBSWOFLSA-N 0 0 478.633 4.949 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361039515 1066261076 /nfs/dbraw/zinc/26/10/76/1066261076.db2.gz KRYNNMFWTFYMRX-NRFANRHFSA-N 0 0 471.646 4.933 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001443058409 1066261148 /nfs/dbraw/zinc/26/11/48/1066261148.db2.gz YEZRKBDIXJIDCW-ZWKOTPCHSA-N 0 0 451.567 4.904 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCc2csc(C(C)C)n2)c1 ZINC001361039727 1066261574 /nfs/dbraw/zinc/26/15/74/1066261574.db2.gz RTXZNZQVMIEXTA-KNQAVFIVSA-N 0 0 469.655 4.504 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C1 ZINC001443060754 1066261664 /nfs/dbraw/zinc/26/16/64/1066261664.db2.gz SGOXRDNKFMEWAG-SFHVURJKSA-N 0 0 458.986 4.625 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCOc2ncccc2F)c1 ZINC001361039734 1066261632 /nfs/dbraw/zinc/26/16/32/1066261632.db2.gz SAFVJXMYICPUGO-IEBWSBKVSA-N 0 0 493.505 4.722 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(=O)NC(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)c1 ZINC001361039893 1066262545 /nfs/dbraw/zinc/26/25/45/1066262545.db2.gz YLMSOYKBUQIYOS-UHFFFAOYSA-N 0 0 497.684 4.676 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)C)c(O)cc3C)c2)cc1 ZINC001545953928 1066262600 /nfs/dbraw/zinc/26/26/00/1066262600.db2.gz PQMOTTPJUQZLRD-UHFFFAOYSA-N 0 0 454.548 4.886 20 0 JJADRN COC(CNC(=O)c1csc(-c2cc(Br)cs2)n1)(OC)c1ccccc1 ZINC001454275029 1066263024 /nfs/dbraw/zinc/26/30/24/1066263024.db2.gz KUBXPHOKBRDRRO-UHFFFAOYSA-N 0 0 453.383 4.510 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059231 1066263112 /nfs/dbraw/zinc/26/31/12/1066263112.db2.gz GVZPKAQUJAWYDX-PXDATVDWSA-N 0 0 460.066 4.899 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)O1 ZINC001546059285 1066263131 /nfs/dbraw/zinc/26/31/31/1066263131.db2.gz HTQZDCHGMXITHJ-JBYIUTFZSA-N 0 0 451.036 4.797 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccccc3OC)nnc2N(C)CCC(F)(F)F)O1 ZINC001546059278 1066263132 /nfs/dbraw/zinc/26/31/32/1066263132.db2.gz HOUOBFDEOJBZTK-IERDGZPVSA-N 0 0 456.509 4.602 20 0 JJADRN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001545953989 1066263439 /nfs/dbraw/zinc/26/34/39/1066263439.db2.gz SXJJCZFBHPWXMP-XMMPIXPASA-N 0 0 454.592 4.919 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361040764 1066263570 /nfs/dbraw/zinc/26/35/70/1066263570.db2.gz HKFXXRGHOJJZGC-YADHBBJMSA-N 0 0 458.986 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC001361041042 1066263664 /nfs/dbraw/zinc/26/36/64/1066263664.db2.gz OPLUFZUFYBROIA-OALUTQOASA-N 0 0 450.023 4.852 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cnc(Cl)c(Br)c1)c1ccc(C(C)(C)C)cc1 ZINC001361041277 1066263736 /nfs/dbraw/zinc/26/37/36/1066263736.db2.gz UTPAAVMUISVKAA-INIZCTEOSA-N 0 0 453.764 4.829 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc(C(F)(F)F)c1 ZINC001443085421 1066263867 /nfs/dbraw/zinc/26/38/67/1066263867.db2.gz DOMWOFBMKVFVTE-QGZVFWFLSA-N 0 0 450.413 4.632 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 ZINC001443084953 1066263950 /nfs/dbraw/zinc/26/39/50/1066263950.db2.gz GRVQAVHOXOHFIL-ALKREAHSSA-N 0 0 461.559 4.769 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3ccc[nH]3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361041556 1066264140 /nfs/dbraw/zinc/26/41/40/1066264140.db2.gz CDCGERZVNIIHKR-OAQYLSRUSA-N 0 0 494.640 4.662 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC(N)=O)c1 ZINC001361041532 1066264355 /nfs/dbraw/zinc/26/43/55/1066264355.db2.gz BLMPFBLGTJHRTQ-VQIMIIECSA-N 0 0 481.666 4.527 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)O1 ZINC001546059336 1066264329 /nfs/dbraw/zinc/26/43/29/1066264329.db2.gz INQNCUNUJSRIIX-RMUDUWAUSA-N 0 0 460.663 4.849 20 0 JJADRN Cc1cc2c(NC(=O)c3cccnc3OCc3ccccc3F)n[nH]c2c(Br)c1 ZINC001454281532 1066264486 /nfs/dbraw/zinc/26/44/86/1066264486.db2.gz ZKYQHCZDFOJFRE-UHFFFAOYSA-N 0 0 455.287 4.999 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)c1 ZINC001443088040 1066264705 /nfs/dbraw/zinc/26/47/05/1066264705.db2.gz QEXYGCWEDIZIOI-UHFFFAOYSA-N 0 0 458.511 4.661 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361041949 1066265020 /nfs/dbraw/zinc/26/50/20/1066265020.db2.gz OHYACIQYIORIGH-FYYLOGMGSA-N 0 0 499.656 4.709 20 0 JJADRN COc1ccccc1-c1nnc(CC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)o1 ZINC001443090061 1066265179 /nfs/dbraw/zinc/26/51/79/1066265179.db2.gz LSTQNAASESIJBG-UHFFFAOYSA-N 0 0 458.446 4.651 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546059451 1066265602 /nfs/dbraw/zinc/26/56/02/1066265602.db2.gz KIWOPWGXHHOQHB-RUVYJUSOSA-N 0 0 487.645 4.934 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361042116 1066265665 /nfs/dbraw/zinc/26/56/65/1066265665.db2.gz SMDBEOYTFCSMDU-OAQYLSRUSA-N 0 0 483.657 4.935 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c2)n1 ZINC001443092709 1066265826 /nfs/dbraw/zinc/26/58/26/1066265826.db2.gz HZJFTYPMKMRHKL-OAQYLSRUSA-N 0 0 457.361 4.918 20 0 JJADRN COCCOc1ccc(F)cc1NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001443097932 1066266701 /nfs/dbraw/zinc/26/67/01/1066266701.db2.gz WEXWYOGRZAWGJG-UHFFFAOYSA-N 0 0 452.567 4.997 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)c(N)cc2F)c1 ZINC001443095135 1066266747 /nfs/dbraw/zinc/26/67/47/1066266747.db2.gz ZBQIMXMAKLWEMC-UHFFFAOYSA-N 0 0 459.453 4.879 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1)NC(=O)OC(C)(C)C ZINC001545954348 1066266785 /nfs/dbraw/zinc/26/67/85/1066266785.db2.gz CNXUMVREWBXFAS-ZWKOTPCHSA-N 0 0 474.675 4.609 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)c2nccc(C)c2c1 ZINC001454306347 1066267056 /nfs/dbraw/zinc/26/70/56/1066267056.db2.gz YWQXEXOWIIHIIG-INIZCTEOSA-N 0 0 454.368 4.685 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC=CCC2)c1 ZINC001361042951 1066267347 /nfs/dbraw/zinc/26/73/47/1066267347.db2.gz WLVSQAMMAMXAAQ-OYRHEFFESA-N 0 0 467.614 4.511 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001361042955 1066267387 /nfs/dbraw/zinc/26/73/87/1066267387.db2.gz WNTUDLYJXOYFFR-UHFFFAOYSA-N 0 0 471.646 4.765 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)NC2CCC(C)(C)CC2)cc1 ZINC001361044376 1066268199 /nfs/dbraw/zinc/26/81/99/1066268199.db2.gz VUYRCQBLNJSXBT-UHFFFAOYSA-N 0 0 454.592 4.903 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)O1 ZINC001546059677 1066268546 /nfs/dbraw/zinc/26/85/46/1066268546.db2.gz OBWBBDVNLJRZAB-CYFREDJKSA-N 0 0 492.089 4.663 20 0 JJADRN O=C(c1cc(Br)cn2ccnc12)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443101769 1066268534 /nfs/dbraw/zinc/26/85/34/1066268534.db2.gz UWDKSVPEFPBJAS-MRXNPFEDSA-N 0 0 455.139 4.617 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361045148 1066269218 /nfs/dbraw/zinc/26/92/18/1066269218.db2.gz OWKRXLVJVGHVSU-HNNXBMFYSA-N 0 0 483.535 4.660 20 0 JJADRN Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@](C)(CO)Cc3ccc(Br)cc3)c2c1 ZINC001454314209 1066269620 /nfs/dbraw/zinc/26/96/20/1066269620.db2.gz WQZZWBFBTCUVMB-XMMPIXPASA-N 0 0 453.380 4.907 20 0 JJADRN O=C(NCCn1cncc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1Br ZINC001454323001 1066269636 /nfs/dbraw/zinc/26/96/36/1066269636.db2.gz TYUNHVFUOLMRBJ-UHFFFAOYSA-N 0 0 454.246 4.641 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC1(c2ccc(Cl)cc2)CC1 ZINC001443105534 1066269686 /nfs/dbraw/zinc/26/96/86/1066269686.db2.gz OVOVFGYJJLGEHU-SANMLTNESA-N 0 0 454.817 4.838 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2=CCCCC2)c2ccccc2n1 ZINC001361045322 1066269930 /nfs/dbraw/zinc/26/99/30/1066269930.db2.gz TYZVQLHLHOHHAR-RBUKOAKNSA-N 0 0 467.639 4.560 20 0 JJADRN CC(C)(C(=O)N[C@@H](CO)c1ccc(Cl)cc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001454326347 1066270255 /nfs/dbraw/zinc/27/02/55/1066270255.db2.gz QGRRVZQTTPXXIH-BJKOFHAPSA-N 0 0 453.966 4.828 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCc3cccs3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361045612 1066271058 /nfs/dbraw/zinc/27/10/58/1066271058.db2.gz DINFRQOJRQFMFJ-UHFFFAOYSA-N 0 0 476.650 4.847 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cn1)c1ccccc1 ZINC001443129480 1066271574 /nfs/dbraw/zinc/27/15/74/1066271574.db2.gz CCNVBKFZBRBRSK-IIBYNOLFSA-N 0 0 451.523 4.515 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136333 1066272169 /nfs/dbraw/zinc/27/21/69/1066272169.db2.gz JYAWETKJECRNNC-CJAUYULYSA-N 0 0 455.574 4.624 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCN[C@H](c4ccc(O)cc4)C3)cc2c1 ZINC001454340710 1066272311 /nfs/dbraw/zinc/27/23/11/1066272311.db2.gz WPKWWGMQPNLCJT-IBGZPJMESA-N 0 0 453.564 4.741 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(F)c1F)c1ccccc1Br ZINC001454341763 1066272478 /nfs/dbraw/zinc/27/24/78/1066272478.db2.gz MKEYTWKFTFKZKO-KRWDZBQOSA-N 0 0 455.299 4.610 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccon3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045908 1066273224 /nfs/dbraw/zinc/27/32/24/1066273224.db2.gz OBWFZUAACRCAHJ-QGZVFWFLSA-N 0 0 491.596 4.587 20 0 JJADRN O=C(Cc1ccc(NC(=O)C2CC(O)(c3cccc(Cl)c3)C2)cc1)Nc1ccccc1F ZINC001443151661 1066273647 /nfs/dbraw/zinc/27/36/47/1066273647.db2.gz AIEXSRRXPWMEDY-UHFFFAOYSA-N 0 0 452.913 4.897 20 0 JJADRN CN(CCc1ccccn1)C(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001443149067 1066273742 /nfs/dbraw/zinc/27/37/42/1066273742.db2.gz QLNSXFLSFCGYIA-UHFFFAOYSA-N 0 0 457.574 4.792 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C(F)F)C2)O1 ZINC001546060303 1066274004 /nfs/dbraw/zinc/27/40/04/1066274004.db2.gz XXYSNRXNVKKUNP-KQFNAULVSA-N 0 0 497.631 4.878 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)O1 ZINC001546060304 1066274030 /nfs/dbraw/zinc/27/40/30/1066274030.db2.gz XXYSNRXNVKKUNP-QEYOZYPLSA-N 0 0 497.631 4.878 20 0 JJADRN CCN(CCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001443152222 1066274473 /nfs/dbraw/zinc/27/44/73/1066274473.db2.gz HMAAGHYLNZQGKW-UHFFFAOYSA-N 0 0 452.477 4.831 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2CCn2cc(Cl)cn2)c2ccccc2n1 ZINC001361046099 1066274441 /nfs/dbraw/zinc/27/44/41/1066274441.db2.gz VLDDZMWSLMGWLW-UHFFFAOYSA-N 0 0 463.895 4.740 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(OC)c(Br)c2)O1 ZINC001546060382 1066274454 /nfs/dbraw/zinc/27/44/54/1066274454.db2.gz ZEORUOIAUIKLBR-YCRPNKLZSA-N 0 0 475.391 4.541 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OCCCOC)CC2)O1 ZINC001546060367 1066274568 /nfs/dbraw/zinc/27/45/68/1066274568.db2.gz ZBOFDYNRYSHYIH-ANAFOTAVSA-N 0 0 492.705 4.566 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443155226 1066274981 /nfs/dbraw/zinc/27/49/81/1066274981.db2.gz RRDPEPNEOGMBEH-MEODZPNASA-N 0 0 453.377 4.990 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1Br ZINC001361046317 1066275294 /nfs/dbraw/zinc/27/52/94/1066275294.db2.gz BXBRXHSPQLHAKK-GUYCJALGSA-N 0 0 459.812 4.939 20 0 JJADRN CCN(CCNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)C(=O)OC(C)(C)C ZINC001443158497 1066275155 /nfs/dbraw/zinc/27/51/55/1066275155.db2.gz TUMFTKIJWFCYSB-UHFFFAOYSA-N 0 0 457.262 4.594 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3nnn(Cc4ccc(C(F)(F)F)cc4)c3C)cc2)n1 ZINC001454372460 1066275863 /nfs/dbraw/zinc/27/58/63/1066275863.db2.gz MOPQAKSPHBVQSC-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCOc2cc(F)ccc2C1 ZINC001454364176 1066275905 /nfs/dbraw/zinc/27/59/05/1066275905.db2.gz QKHLDGAGAQDDTG-UHFFFAOYSA-N 0 0 457.855 4.531 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)no1 ZINC001361046729 1066276537 /nfs/dbraw/zinc/27/65/37/1066276537.db2.gz KYBFOISPMYOKKZ-QGZVFWFLSA-N 0 0 456.593 4.792 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545955110 1066277930 /nfs/dbraw/zinc/27/79/30/1066277930.db2.gz PDASKDYKYXFTQX-UWJYYQICSA-N 0 0 475.609 4.713 20 0 JJADRN Cc1cc(C)c(C(=O)CCCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(C)c1 ZINC001443190915 1066277967 /nfs/dbraw/zinc/27/79/67/1066277967.db2.gz SWEKSHCIZDRLGB-UHFFFAOYSA-N 0 0 458.961 4.742 20 0 JJADRN O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001443196817 1066278651 /nfs/dbraw/zinc/27/86/51/1066278651.db2.gz DOXPUOXFTOITIN-UHFFFAOYSA-N 0 0 457.255 4.964 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H](c2cccnc2)C(C)C)c2ccccc2n1 ZINC001361048789 1066279053 /nfs/dbraw/zinc/27/90/53/1066279053.db2.gz JLVBNEILHQKWGM-RUZDIDTESA-N 0 0 499.663 4.845 20 0 JJADRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC001443205772 1066279112 /nfs/dbraw/zinc/27/91/12/1066279112.db2.gz PZFCUBFKYBOXSI-UHFFFAOYSA-N 0 0 457.328 4.670 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC001443204903 1066279692 /nfs/dbraw/zinc/27/96/92/1066279692.db2.gz LPOMMRABXMHYSP-AWEZNQCLSA-N 0 0 457.958 4.992 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001443210635 1066280106 /nfs/dbraw/zinc/28/01/06/1066280106.db2.gz SILGBBLVRNWWBP-MRXNPFEDSA-N 0 0 450.530 4.716 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049098 1066280200 /nfs/dbraw/zinc/28/02/00/1066280200.db2.gz SIDLDFMFGWWQRW-BGYRXZFFSA-N 0 0 494.640 4.672 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC001443211440 1066280378 /nfs/dbraw/zinc/28/03/78/1066280378.db2.gz CSWUOZFOOABYBF-MRXNPFEDSA-N 0 0 453.514 4.670 20 0 JJADRN C/C=C/C[C@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001454410102 1066280337 /nfs/dbraw/zinc/28/03/37/1066280337.db2.gz KFPOUCXOJDLNLU-DCKQQPRJSA-N 0 0 452.576 4.965 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCSCC(F)(F)F)c2ccccc2n1 ZINC001361049230 1066280660 /nfs/dbraw/zinc/28/06/60/1066280660.db2.gz WZOFFSJTKXXBRG-HOTGVXAUSA-N 0 0 465.545 4.711 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)c2ccccc2n1 ZINC001361049182 1066280684 /nfs/dbraw/zinc/28/06/84/1066280684.db2.gz VRDUYAWEYWAKHV-SFHVURJKSA-N 0 0 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CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545955643 1066282143 /nfs/dbraw/zinc/28/21/43/1066282143.db2.gz YTQCXAUXOXUQCS-GNADVCDUSA-N 0 0 497.684 4.842 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC001443221665 1066282318 /nfs/dbraw/zinc/28/23/18/1066282318.db2.gz XOIMLGTUGTZEOB-UHFFFAOYSA-N 0 0 454.454 4.915 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454438373 1066282173 /nfs/dbraw/zinc/28/21/73/1066282173.db2.gz ZXUQAEHCCXIZBD-FDDCHVKYSA-N 0 0 458.961 4.783 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC(C)C)c2ccccc2n1 ZINC001361049507 1066282633 /nfs/dbraw/zinc/28/26/33/1066282633.db2.gz GMFLZAPIQDGXJV-HXUWFJFHSA-N 0 0 462.642 4.836 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(CC)C1)OC ZINC001546061755 1066282840 /nfs/dbraw/zinc/28/28/40/1066282840.db2.gz FLCBPTHSPIYATL-HSZRJFAPSA-N 0 0 462.038 4.693 20 0 JJADRN 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CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2sccn2Cc2ccccc2F)c2ccccc21 ZINC001443287862 1066289777 /nfs/dbraw/zinc/28/97/77/1066289777.db2.gz DTBKLRQBZDUUSD-SFHVURJKSA-N 0 0 453.539 4.703 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)ccc1Br ZINC001454477736 1066290044 /nfs/dbraw/zinc/29/00/44/1066290044.db2.gz WMOBFUDEZMPKMS-JQHSSLGASA-N 0 0 451.405 4.911 20 0 JJADRN CCC(CC)(CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)c1ccccc1 ZINC001361054255 1066290121 /nfs/dbraw/zinc/29/01/21/1066290121.db2.gz IVWGMOLBVCJLQB-UHFFFAOYSA-N 0 0 451.032 4.905 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1 ZINC001361054145 1066290274 /nfs/dbraw/zinc/29/02/74/1066290274.db2.gz DLPAHNCCWFPWQX-OAQYLSRUSA-N 0 0 454.958 4.832 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545956709 1066290398 /nfs/dbraw/zinc/29/03/98/1066290398.db2.gz HPEMMCJIZAXMKC-RZUBCFFCSA-N 0 0 487.620 4.713 20 0 JJADRN 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Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cs1 ZINC001361070158 1066309480 /nfs/dbraw/zinc/30/94/80/1066309480.db2.gz DQBOAGIWWOXQFJ-SLFFLAALSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cs1 ZINC001361070072 1066309517 /nfs/dbraw/zinc/30/95/17/1066309517.db2.gz BKIYUYZINCGKLL-UXHICEINSA-N 0 0 499.656 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)C[C@@H]3CCc4sccc4C3=O)ccc2C1 ZINC001454608655 1066309764 /nfs/dbraw/zinc/30/97/64/1066309764.db2.gz CRRRNXHTGMMVBA-HNNXBMFYSA-N 0 0 456.564 4.652 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)no1 ZINC001361070485 1066309903 /nfs/dbraw/zinc/30/99/03/1066309903.db2.gz NKRJKNLQOBFJIA-BXKMTCNYSA-N 0 0 457.550 4.543 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H]2CCCCO2)ccc1F ZINC001361070520 1066310049 /nfs/dbraw/zinc/31/00/49/1066310049.db2.gz OAACMZOTGXZHRQ-SFHVURJKSA-N 0 0 476.394 4.547 20 0 JJADRN COc1cccc(CC2(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)CCCCC2)c1 ZINC001454615736 1066310275 /nfs/dbraw/zinc/31/02/75/1066310275.db2.gz HSHRRVJTQXWKQJ-OAQYLSRUSA-N 0 0 458.961 4.902 20 0 JJADRN CC1(c2ccc(CNC(=O)c3ccsc3NC(=O)c3ccccc3Cl)cc2)OCCO1 ZINC001454617732 1066310433 /nfs/dbraw/zinc/31/04/33/1066310433.db2.gz RZSQIRVCPPGFIC-UHFFFAOYSA-N 0 0 456.951 4.803 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001454626832 1066310694 /nfs/dbraw/zinc/31/06/94/1066310694.db2.gz SVHXEHLNJZXOKD-GOSISDBHSA-N 0 0 455.295 4.811 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C)[C@H]2C)cs1 ZINC001361071026 1066310915 /nfs/dbraw/zinc/31/09/15/1066310915.db2.gz BTUUXMZPAFGXPD-ZIAGYGMSSA-N 0 0 466.474 4.795 20 0 JJADRN COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC001454626409 1066310976 /nfs/dbraw/zinc/31/09/76/1066310976.db2.gz HLHJMIVVLYDKHJ-VWLOTQADSA-N 0 0 459.970 4.593 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)CC1 ZINC001492597864 1066311093 /nfs/dbraw/zinc/31/10/93/1066311093.db2.gz HDTIWHXMZYAUOG-QUCCMNQESA-N 0 0 467.639 4.672 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001545958500 1066311127 /nfs/dbraw/zinc/31/11/27/1066311127.db2.gz FOPBXGWSCIDFDG-SFHVURJKSA-N 0 0 465.602 4.627 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCC1(O)CCN(c2ccccc2)CC1 ZINC001454627649 1066311210 /nfs/dbraw/zinc/31/12/10/1066311210.db2.gz YNHKQMGURUPQIN-QHCPKHFHSA-N 0 0 458.602 4.583 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C1 ZINC001546063912 1066311476 /nfs/dbraw/zinc/31/14/76/1066311476.db2.gz FSAWZUIWTIXKMN-YCRPNKLZSA-N 0 0 451.384 4.900 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(S(C)(=O)=O)CC2)cs1 ZINC001361071180 1066311445 /nfs/dbraw/zinc/31/14/45/1066311445.db2.gz DSOPWTVBMAGZNL-UHFFFAOYSA-N 0 0 485.462 4.684 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(Br)C1)OC ZINC001545958678 1066311818 /nfs/dbraw/zinc/31/18/18/1066311818.db2.gz IZWIURYQMKTTAO-CQSZACIVSA-N 0 0 488.199 4.761 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C[S@](C)=O)cc2)C1 ZINC001546063925 1066311979 /nfs/dbraw/zinc/31/19/79/1066311979.db2.gz GAFFSUOUWTWUAB-CHJDUVSTSA-N 0 0 490.471 4.589 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@H]2C)ccc1F ZINC001361071808 1066312373 /nfs/dbraw/zinc/31/23/73/1066312373.db2.gz PMTKNMZTZINFOT-CQSZACIVSA-N 0 0 462.367 4.535 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(C)(C)COC)C1 ZINC001546063986 1066312885 /nfs/dbraw/zinc/31/28/85/1066312885.db2.gz HMSLXBLSHUZGRS-VWLOTQADSA-N 0 0 490.718 4.626 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)NCCC1(O)CCN(c2ccccc2)CC1 ZINC001454634391 1066312931 /nfs/dbraw/zinc/31/29/31/1066312931.db2.gz NVBDEOQILQDVMZ-UHFFFAOYSA-N 0 0 451.394 4.690 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)c2ccccc2)no1 ZINC001361072181 1066313051 /nfs/dbraw/zinc/31/30/51/1066313051.db2.gz YGBZTFJSUCPGDV-CQSZACIVSA-N 0 0 455.360 4.620 20 0 JJADRN COC(=O)[C@H](CNC(=O)COc1ccc(Cl)cc1C1CCCCC1)Cc1ccc(O)cc1 ZINC001443452499 1066313383 /nfs/dbraw/zinc/31/33/83/1066313383.db2.gz BJSJKNQQEKJQFW-IBGZPJMESA-N 0 0 459.970 4.620 20 0 JJADRN Cc1cn2cc(CC(=O)N3CCCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)nc2s1 ZINC001443452903 1066313420 /nfs/dbraw/zinc/31/34/20/1066313420.db2.gz BNXLHZBDLIKXQT-KRWDZBQOSA-N 0 0 451.379 4.573 20 0 JJADRN O=C(c1cccc(COc2cccc(F)c2)c1)N1CC(O)(c2cccc(Br)c2)C1 ZINC001454645834 1066313665 /nfs/dbraw/zinc/31/36/65/1066313665.db2.gz IQJJWKAXRJMGKH-UHFFFAOYSA-N 0 0 456.311 4.511 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492597892 1066314429 /nfs/dbraw/zinc/31/44/29/1066314429.db2.gz HNTVVHAWXDZXSM-YADARESESA-N 0 0 478.584 4.576 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)no1 ZINC001361073684 1066314688 /nfs/dbraw/zinc/31/46/88/1066314688.db2.gz NRJZEAVRHKZKNQ-UHFFFAOYSA-N 0 0 477.613 4.701 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)Cc1ccc(O)cc1 ZINC001443463094 1066314620 /nfs/dbraw/zinc/31/46/20/1066314620.db2.gz PDAOCZDRYCYWAV-MKYLKIGJSA-N 0 0 455.963 4.796 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001454652754 1066314687 /nfs/dbraw/zinc/31/46/87/1066314687.db2.gz CAMCNCWHTQPLBK-RTBURBONSA-N 0 0 462.493 4.710 20 0 JJADRN Cc1cc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)ccc1F ZINC001361073912 1066315128 /nfs/dbraw/zinc/31/51/28/1066315128.db2.gz SJIHEFVHQVVPPR-FQEVSTJZSA-N 0 0 482.604 4.615 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnn(CC)c1)NC(=O)OC(C)(C)C ZINC001545959471 1066315263 /nfs/dbraw/zinc/31/52/63/1066315263.db2.gz WOCQZRDMXBPURR-FQEVSTJZSA-N 0 0 488.036 4.755 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001454653512 1066315323 /nfs/dbraw/zinc/31/53/23/1066315323.db2.gz BNQPKDZOPUAXBE-SZVBFZGTSA-N 0 0 451.405 4.943 20 0 JJADRN Cc1cc(Cn2c(-c3cccnc3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cs1 ZINC001361074582 1066315717 /nfs/dbraw/zinc/31/57/17/1066315717.db2.gz IBTQHPOMYKJGOR-UHFFFAOYSA-N 0 0 468.627 4.642 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC001454655900 1066315971 /nfs/dbraw/zinc/31/59/71/1066315971.db2.gz NHKGJYYCCGUDGD-OAHLLOKOSA-N 0 0 459.125 4.668 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)C1 ZINC001454655634 1066316034 /nfs/dbraw/zinc/31/60/34/1066316034.db2.gz JVSKRPOOBNENHC-APWZRJJASA-N 0 0 454.489 4.689 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC001454656539 1066316159 /nfs/dbraw/zinc/31/61/59/1066316159.db2.gz OUJDLTHMAWJISL-RTWAWAEBSA-N 0 0 450.023 4.600 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C ZINC001492597918 1066316227 /nfs/dbraw/zinc/31/62/27/1066316227.db2.gz DTBYFOUZVORWRN-NBGIEHNGSA-N 0 0 454.640 4.695 20 0 JJADRN CC(C)(C)c1ncc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cn1 ZINC001443481173 1066316424 /nfs/dbraw/zinc/31/64/24/1066316424.db2.gz RKNGMDWYZHQEOB-UHFFFAOYSA-N 0 0 457.347 4.913 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C(C)C)C2)cs1 ZINC001361076662 1066316443 /nfs/dbraw/zinc/31/64/43/1066316443.db2.gz AAPFXFWUBFXAJO-NHCUHLMSSA-N 0 0 489.686 4.672 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)ccc1F ZINC001361076739 1066316471 /nfs/dbraw/zinc/31/64/71/1066316471.db2.gz BUGBIKGWJGJURS-QFUCXCTJSA-N 0 0 475.584 4.683 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC001454657010 1066316520 /nfs/dbraw/zinc/31/65/20/1066316520.db2.gz DHXZDYAAPNAALH-YLJYHZDGSA-N 0 0 453.384 4.776 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2nc([C@@H](C)OCC(C)C)no2)ccc1F ZINC001361077304 1066316636 /nfs/dbraw/zinc/31/66/36/1066316636.db2.gz MWXBUIZOSWOEIH-WIYYLYMNSA-N 0 0 486.592 4.769 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454660821 1066317049 /nfs/dbraw/zinc/31/70/49/1066317049.db2.gz PWDSRQJVUHMWIK-WBVHZDCISA-N 0 0 455.393 4.512 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)ccc1F ZINC001361077508 1066317079 /nfs/dbraw/zinc/31/70/79/1066317079.db2.gz RNABHXMPINNDPE-PKOBYXMFSA-N 0 0 456.484 4.563 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC(C)(C)C)C1 ZINC001546064225 1066317219 /nfs/dbraw/zinc/31/72/19/1066317219.db2.gz LFOZKUZTPPAXKZ-HSZRJFAPSA-N 0 0 492.462 4.647 20 0 JJADRN Cc1cc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cs1 ZINC001361077951 1066317470 /nfs/dbraw/zinc/31/74/70/1066317470.db2.gz FTVOMCDSIAGZAQ-UHFFFAOYSA-N 0 0 470.618 4.824 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cs1 ZINC001361078043 1066317532 /nfs/dbraw/zinc/31/75/32/1066317532.db2.gz IOAWBRLSLYNJAY-IBGZPJMESA-N 0 0 453.656 4.941 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC001361078072 1066317679 /nfs/dbraw/zinc/31/76/79/1066317679.db2.gz JFVQGKUKIHISQN-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 ZINC001443491052 1066317672 /nfs/dbraw/zinc/31/76/72/1066317672.db2.gz BNDQXXWSRXQRSJ-JBACZVJFSA-N 0 0 459.635 4.523 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 ZINC001443491045 1066317712 /nfs/dbraw/zinc/31/77/12/1066317712.db2.gz BNDQXXWSRXQRSJ-GIVPXCGWSA-N 0 0 459.635 4.523 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 ZINC001443491065 1066317907 /nfs/dbraw/zinc/31/79/07/1066317907.db2.gz BNDQXXWSRXQRSJ-TYPHKJRUSA-N 0 0 459.635 4.523 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001545959227 1066318350 /nfs/dbraw/zinc/31/83/50/1066318350.db2.gz SABNMKDINKVXIY-UXLLHSPISA-N 0 0 492.393 4.646 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CCC2)C1 ZINC001546064303 1066318134 /nfs/dbraw/zinc/31/81/34/1066318134.db2.gz MSJKSYJEGYUPFE-IBGZPJMESA-N 0 0 452.466 4.958 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)c(C)c2)CC1 ZINC001361078472 1066318189 /nfs/dbraw/zinc/31/81/89/1066318189.db2.gz USRCHHUKZVPFDW-UHFFFAOYSA-N 0 0 467.589 4.663 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2CCOC2)C1 ZINC001546064258 1066318372 /nfs/dbraw/zinc/31/83/72/1066318372.db2.gz LXDKPCKLAKJKOB-YCRPNKLZSA-N 0 0 451.384 4.900 20 0 JJADRN Cc1ccc(C)c2sc(NC(=O)CCNS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)nc21 ZINC001443493105 1066318518 /nfs/dbraw/zinc/31/85/18/1066318518.db2.gz RFWSVXYWJRUAEC-UHFFFAOYSA-N 0 0 459.637 4.762 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)Cc1cccc(F)c1 ZINC001443495208 1066318797 /nfs/dbraw/zinc/31/87/97/1066318797.db2.gz ZRBUXOKKDPFSGM-FQEVSTJZSA-N 0 0 455.913 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)/C=C/Sc3cc(F)ccc3F)sc2C1 ZINC001443494645 1066318949 /nfs/dbraw/zinc/31/89/49/1066318949.db2.gz UMJXWSDLBRPTTC-VQHVLOKHSA-N 0 0 453.536 4.959 20 0 JJADRN Cc1cc(Cn2c(Cc3cccnc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001361080264 1066319053 /nfs/dbraw/zinc/31/90/53/1066319053.db2.gz BPGJCAPHWJNULB-UHFFFAOYSA-N 0 0 482.654 4.518 20 0 JJADRN Cc1cc(Cn2c(Cc3csc(C)n3)nnc2N(C)CCOc2ccccc2F)cs1 ZINC001361080281 1066319374 /nfs/dbraw/zinc/31/93/74/1066319374.db2.gz BZABHRYSGRRFAD-UHFFFAOYSA-N 0 0 457.600 4.706 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)ccc1F ZINC001361080606 1066319873 /nfs/dbraw/zinc/31/98/73/1066319873.db2.gz PMDGFNGHMRKWPB-UHFFFAOYSA-N 0 0 494.615 4.501 20 0 JJADRN C[C@]1(CO)CN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)C[C@@]1(C)CO ZINC001454692708 1066319983 /nfs/dbraw/zinc/31/99/83/1066319983.db2.gz SGPVMPFQLQFFGP-SZPZYZBQSA-N 0 0 454.419 4.739 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@@]2(O)CCCC(C)(C)CC2)cc1OCC ZINC001454690895 1066320003 /nfs/dbraw/zinc/32/00/03/1066320003.db2.gz SIUPRNVTYOHOPU-JOCHJYFZSA-N 0 0 456.421 4.627 20 0 JJADRN CC(C)=CCOc1cccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 ZINC001443504439 1066320032 /nfs/dbraw/zinc/32/00/32/1066320032.db2.gz MXTLXSKYZKFHGA-UHFFFAOYSA-N 0 0 457.577 4.779 20 0 JJADRN Cc1cc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC001361081243 1066320121 /nfs/dbraw/zinc/32/01/21/1066320121.db2.gz KVXQYWMSMBPNCU-QGZVFWFLSA-N 0 0 459.660 4.875 20 0 JJADRN CC1(C)CCC[C@](O)(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001454692923 1066320544 /nfs/dbraw/zinc/32/05/44/1066320544.db2.gz ZECHFBCVBUAUDQ-OAQYLSRUSA-N 0 0 455.546 4.821 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)NCC(=O)c3cccc(Cl)c3Cl)cc21 ZINC001454695756 1066320913 /nfs/dbraw/zinc/32/09/13/1066320913.db2.gz FHYWDXDEORHHHG-UHFFFAOYSA-N 0 0 456.123 4.859 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccco2)ccc1F ZINC001361081810 1066321029 /nfs/dbraw/zinc/32/10/29/1066321029.db2.gz UMILMGYNGHUZMH-INIZCTEOSA-N 0 0 453.543 4.556 20 0 JJADRN CC(C)(C(=O)NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001443513299 1066321101 /nfs/dbraw/zinc/32/11/01/1066321101.db2.gz GDARUEWBNQTBKG-FCHUYYIVSA-N 0 0 458.528 4.800 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)OC ZINC001545959377 1066321156 /nfs/dbraw/zinc/32/11/56/1066321156.db2.gz VDFVKWNCTHTYDX-JOCHJYFZSA-N 0 0 474.049 4.643 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)Nc2ccccc2)C1 ZINC001546064551 1066321125 /nfs/dbraw/zinc/32/11/25/1066321125.db2.gz RJZMBBYNUWPHOC-HSZRJFAPSA-N 0 0 485.430 4.701 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCC(=O)c3cccc(Cl)c3Cl)c12 ZINC001454695039 1066321174 /nfs/dbraw/zinc/32/11/74/1066321174.db2.gz IFTDTAVYFFNDEH-UHFFFAOYSA-N 0 0 459.358 4.925 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC(F)(F)F ZINC001492597964 1066321234 /nfs/dbraw/zinc/32/12/34/1066321234.db2.gz IGUHRJRCIRDSLP-KURKYZTESA-N 0 0 497.562 4.823 20 0 JJADRN CCOC(=O)NCCCC(=O)Nc1nc2cc(Br)ccc2n1-c1ccc(C)cc1 ZINC001361082532 1066321820 /nfs/dbraw/zinc/32/18/20/1066321820.db2.gz FOTNVWQZVPTJAO-UHFFFAOYSA-N 0 0 459.344 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC001443514096 1066321784 /nfs/dbraw/zinc/32/17/84/1066321784.db2.gz CPOPDDURQBNGCB-WQVCFCJDSA-N 0 0 451.495 4.748 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc4ccnc(Cl)c4s3)cc2)cc1 ZINC001443514039 1066321867 /nfs/dbraw/zinc/32/18/67/1066321867.db2.gz JEALKVLDQSYYSQ-UHFFFAOYSA-N 0 0 459.936 4.642 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545959395 1066321922 /nfs/dbraw/zinc/32/19/22/1066321922.db2.gz VGNNGQMKWUJAMF-QUCCMNQESA-N 0 0 485.629 4.502 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)c2ccccc2)no1 ZINC001361083489 1066322021 /nfs/dbraw/zinc/32/20/21/1066322021.db2.gz FIYJYCJJPTYWSA-DZFGPLHGSA-N 0 0 480.613 4.633 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCOc2ncccc2Cl)C1 ZINC001546064594 1066322271 /nfs/dbraw/zinc/32/22/71/1066322271.db2.gz SGANAIQUCKNJRF-OAQYLSRUSA-N 0 0 493.837 4.800 20 0 JJADRN O=C(COc1ccccc1Br)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC001443516565 1066322103 /nfs/dbraw/zinc/32/21/03/1066322103.db2.gz IUWZMGGCFXZNFQ-UHFFFAOYSA-N 0 0 450.336 4.542 20 0 JJADRN Cc1cc(Cn2c(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)ccc1F ZINC001361083456 1066322152 /nfs/dbraw/zinc/32/21/52/1066322152.db2.gz DZLRTRBIMOJMDX-IEBWSBKVSA-N 0 0 459.610 4.811 20 0 JJADRN CC(C)CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC001443517692 1066322358 /nfs/dbraw/zinc/32/23/58/1066322358.db2.gz SHEQMZXBNWWOEG-UHFFFAOYSA-N 0 0 454.548 4.804 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cscn2)cs1 ZINC001361084098 1066322455 /nfs/dbraw/zinc/32/24/55/1066322455.db2.gz MZNVGFSYKDEPEJ-CALCHBBNSA-N 0 0 474.656 4.560 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)c(O)c1 ZINC001454706062 1066322640 /nfs/dbraw/zinc/32/26/40/1066322640.db2.gz FUCXUDSSFQAHOQ-KBPBESRZSA-N 0 0 455.502 4.752 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)c(O)c1 ZINC001454706064 1066322830 /nfs/dbraw/zinc/32/28/30/1066322830.db2.gz FUCXUDSSFQAHOQ-KGLIPLIRSA-N 0 0 455.502 4.752 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)OC ZINC001545959603 1066322748 /nfs/dbraw/zinc/32/27/48/1066322748.db2.gz ZEJXSQYFLQBDJT-JOCHJYFZSA-N 0 0 474.049 4.689 20 0 JJADRN CCOCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCc2ccccc21 ZINC001454704979 1066322896 /nfs/dbraw/zinc/32/28/96/1066322896.db2.gz CEBQFWRVCCQXNY-LJQANCHMSA-N 0 0 456.995 4.837 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454706896 1066323300 /nfs/dbraw/zinc/32/33/00/1066323300.db2.gz HGNLPGNXOSNWTE-SIKLNZKXSA-N 0 0 477.561 4.906 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCC(C)C)CC2)no1 ZINC001361084617 1066323180 /nfs/dbraw/zinc/32/31/80/1066323180.db2.gz SPFHCUDSIHKEKS-UHFFFAOYSA-N 0 0 460.985 4.792 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)Sc1ccc(Br)cc1 ZINC001443530661 1066323463 /nfs/dbraw/zinc/32/34/63/1066323463.db2.gz IRNVCEIHWVPUHZ-LKIBZCMFSA-N 0 0 469.445 4.595 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC001361084934 1066323713 /nfs/dbraw/zinc/32/37/13/1066323713.db2.gz BBLDGNPBSIQWHB-WOJBJXKFSA-N 0 0 458.649 4.504 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)(C)C)C2)no1 ZINC001361084647 1066323757 /nfs/dbraw/zinc/32/37/57/1066323757.db2.gz UCXVTLDVMAXGFI-MJGOQNOKSA-N 0 0 458.607 4.567 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cs1 ZINC001361084695 1066323772 /nfs/dbraw/zinc/32/37/72/1066323772.db2.gz YCZHVKPBTOLINQ-GOSISDBHSA-N 0 0 488.057 4.622 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454712780 1066325003 /nfs/dbraw/zinc/32/50/03/1066325003.db2.gz ZUGASOFRXBXGQA-YTFSRNRJSA-N 0 0 480.609 4.530 20 0 JJADRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)nc2c1 ZINC001443535260 1066326078 /nfs/dbraw/zinc/32/60/78/1066326078.db2.gz WXQMTCNNXDFKQH-RDTXWAMCSA-N 0 0 455.584 4.891 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CCOCC2)n1CC1(O)CCCCC1 ZINC001361087360 1066326673 /nfs/dbraw/zinc/32/66/73/1066326673.db2.gz IIWYVOZPWXBOPM-UHFFFAOYSA-N 0 0 491.076 4.810 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1(CC(C)C)CC1 ZINC001361087377 1066326760 /nfs/dbraw/zinc/32/67/60/1066326760.db2.gz ISMAMVQCIVJQGX-HXUWFJFHSA-N 0 0 488.076 4.745 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCCOC1 ZINC001361087424 1066326777 /nfs/dbraw/zinc/32/67/77/1066326777.db2.gz KFJCYQHRKZMGKA-INIZCTEOSA-N 0 0 460.928 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC001454727394 1066326804 /nfs/dbraw/zinc/32/68/04/1066326804.db2.gz BMRPDTXKICOIIR-CQSZACIVSA-N 0 0 454.493 4.509 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnccn2)n1[C@@H]1C[C@H]1C(C)C ZINC001361087444 1066326870 /nfs/dbraw/zinc/32/68/70/1066326870.db2.gz KYFHNADMPXWMPO-LEWJYISDSA-N 0 0 455.006 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC001454727388 1066326907 /nfs/dbraw/zinc/32/69/07/1066326907.db2.gz BMRPDTXKICOIIR-AWEZNQCLSA-N 0 0 454.493 4.509 20 0 JJADRN O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)C2 ZINC001443545043 1066327681 /nfs/dbraw/zinc/32/76/81/1066327681.db2.gz UQPUOBACGRFUPU-UHFFFAOYSA-N 0 0 456.424 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1-n1ccc(C2CC2)n1 ZINC001454733101 1066327914 /nfs/dbraw/zinc/32/79/14/1066327914.db2.gz NWFAHOWOICGCIB-IBGZPJMESA-N 0 0 452.599 4.905 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCO[C@H](C)C2)n1CC[C@@H]1CCCCO1 ZINC001361087698 1066327807 /nfs/dbraw/zinc/32/78/07/1066327807.db2.gz AUENBXKHCHUNQX-IRLDBZIGSA-N 0 0 477.049 4.826 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 ZINC001443544236 1066327963 /nfs/dbraw/zinc/32/79/63/1066327963.db2.gz DWAAKPVNJXAMIK-UHFFFAOYSA-N 0 0 453.546 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001454733185 1066328393 /nfs/dbraw/zinc/32/83/93/1066328393.db2.gz OLHZLOKLGDGZFS-APWZRJJASA-N 0 0 450.526 4.638 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC001454734198 1066328515 /nfs/dbraw/zinc/32/85/15/1066328515.db2.gz DQUBADIESRJSRO-CQSZACIVSA-N 0 0 455.338 4.768 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)ccn1 ZINC001443566205 1066328539 /nfs/dbraw/zinc/32/85/39/1066328539.db2.gz DRDJDDDOHWOVGU-UHFFFAOYSA-N 0 0 453.520 4.639 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1 ZINC001443565908 1066328701 /nfs/dbraw/zinc/32/87/01/1066328701.db2.gz BVNXRTKZPYKFBR-LJQANCHMSA-N 0 0 456.564 4.943 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC1CCOCC1 ZINC001361088072 1066329033 /nfs/dbraw/zinc/32/90/33/1066329033.db2.gz FQUFEPZBUNRKRO-PMACEKPBSA-N 0 0 477.049 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001454737602 1066329389 /nfs/dbraw/zinc/32/93/89/1066329389.db2.gz VQFJSPJUFQACET-AWEZNQCLSA-N 0 0 455.386 4.797 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2)cc1 ZINC001443568180 1066329578 /nfs/dbraw/zinc/32/95/78/1066329578.db2.gz TZEUDKSZLMKJCB-UHFFFAOYSA-N 0 0 455.536 4.633 20 0 JJADRN CCc1ccc([C@@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC001443571858 1066329966 /nfs/dbraw/zinc/32/99/66/1066329966.db2.gz TVYONTXPYFJCCW-NFQMXDRXSA-N 0 0 458.577 4.804 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088291 1066330080 /nfs/dbraw/zinc/33/00/80/1066330080.db2.gz HOUVJHCLJRVJPV-AZUAARDMSA-N 0 0 483.060 4.996 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCO2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001361088198 1066330223 /nfs/dbraw/zinc/33/02/23/1066330223.db2.gz SZAVWRSXYOSHNL-JAXLGGSGSA-N 0 0 477.049 4.682 20 0 JJADRN CCc1ccc([C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC001443571850 1066330224 /nfs/dbraw/zinc/33/02/24/1066330224.db2.gz TVYONTXPYFJCCW-HRFSGMKKSA-N 0 0 458.577 4.804 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](COC)OC)C1 ZINC001546064964 1066330482 /nfs/dbraw/zinc/33/04/82/1066330482.db2.gz ZVOJIUKEQWABSD-DVECYGJZSA-N 0 0 455.628 4.665 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC[C@H](C)C2)n1C[C@]1(O)CCSC1 ZINC001361088352 1066330577 /nfs/dbraw/zinc/33/05/77/1066330577.db2.gz IROGBIWRLYNIHG-MHECFPHRSA-N 0 0 479.090 4.746 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCC(=O)N(C)C ZINC001361088323 1066330736 /nfs/dbraw/zinc/33/07/36/1066330736.db2.gz IDGLFJBWCMNGFQ-RBBKRZOGSA-N 0 0 488.076 4.889 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001454747851 1066331164 /nfs/dbraw/zinc/33/11/64/1066331164.db2.gz XAWAYZDFKPXCRW-ZDUSSCGKSA-N 0 0 454.247 4.972 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)c3cc(I)ccc3O)c(C)c2c1 ZINC001443579229 1066331231 /nfs/dbraw/zinc/33/12/31/1066331231.db2.gz LJSXWZKBFXRRQA-NSHDSACASA-N 0 0 451.260 4.551 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccon2)n1C[C@H]1CCSC1 ZINC001361088429 1066331113 /nfs/dbraw/zinc/33/11/13/1066331113.db2.gz VHOSKYVXZMXEIF-QGZVFWFLSA-N 0 0 462.019 4.629 20 0 JJADRN O=C(N1CCCc2sccc2C1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001443578843 1066331367 /nfs/dbraw/zinc/33/13/67/1066331367.db2.gz KIKZMBFTZVKJIF-UHFFFAOYSA-N 0 0 452.389 4.964 20 0 JJADRN O=Cc1ccc(OCC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)c(Br)c1 ZINC001454767109 1066331564 /nfs/dbraw/zinc/33/15/64/1066331564.db2.gz DTFQEYOLVAYAME-NRFANRHFSA-N 0 0 453.336 4.526 20 0 JJADRN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(F)cc(I)c2N)C1 ZINC001454764340 1066331585 /nfs/dbraw/zinc/33/15/85/1066331585.db2.gz SHEHSNODFXZGSF-ZDUSSCGKSA-N 0 0 452.311 4.878 20 0 JJADRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC001443581838 1066331674 /nfs/dbraw/zinc/33/16/74/1066331674.db2.gz JXKXRNUNBHZXCS-SFHVURJKSA-N 0 0 458.484 4.826 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001454770888 1066332260 /nfs/dbraw/zinc/33/22/60/1066332260.db2.gz NWXVEPIGVANQIT-UHFFFAOYSA-N 0 0 452.580 4.594 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001361088741 1066332611 /nfs/dbraw/zinc/33/26/11/1066332611.db2.gz LBIRXEHOCZOBCA-IBGZPJMESA-N 0 0 498.071 4.933 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)nc1 ZINC001454773737 1066332787 /nfs/dbraw/zinc/33/27/87/1066332787.db2.gz YJQXGGTWWMRQFG-UHFFFAOYSA-N 0 0 454.527 4.737 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)n1 ZINC001454775311 1066332900 /nfs/dbraw/zinc/33/29/00/1066332900.db2.gz FCEWCSKTOLCXNZ-ZWKOTPCHSA-N 0 0 477.468 4.903 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 ZINC001443587951 1066332886 /nfs/dbraw/zinc/33/28/86/1066332886.db2.gz RMCKAVNYSNTESR-HCLVMJGWSA-N 0 0 454.542 4.812 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc(OC(F)F)cc2F)cc1 ZINC001454773157 1066333069 /nfs/dbraw/zinc/33/30/69/1066333069.db2.gz HWBCJEXALVEODP-UHFFFAOYSA-N 0 0 450.486 4.540 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1CCOc1ncccc1F ZINC001361089031 1066334366 /nfs/dbraw/zinc/33/43/66/1066334366.db2.gz OZEOOZXSNLMHAG-KRWDZBQOSA-N 0 0 473.980 4.711 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001454785166 1066334280 /nfs/dbraw/zinc/33/42/80/1066334280.db2.gz GEKPCKJMNVFWKM-OAQYLSRUSA-N 0 0 452.983 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)C2 ZINC001454813676 1066334601 /nfs/dbraw/zinc/33/46/01/1066334601.db2.gz DNQNVFKTVVOTQR-MUJYYYPQSA-N 0 0 459.568 4.501 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCOC(C)(C)C ZINC001361089071 1066334526 /nfs/dbraw/zinc/33/45/26/1066334526.db2.gz PIVCKZCEWLPHMC-SFTDATJTSA-N 0 0 491.076 4.929 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443593775 1066334744 /nfs/dbraw/zinc/33/47/44/1066334744.db2.gz WVMDYIDUAIEHEL-ZVBPTUHVSA-N 0 0 451.405 4.653 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001443600189 1066335037 /nfs/dbraw/zinc/33/50/37/1066335037.db2.gz GKZIUPPZXUEWHY-FPTDNZKUSA-N 0 0 451.539 4.784 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccc(F)cc2)cc1 ZINC001361089299 1066335161 /nfs/dbraw/zinc/33/51/61/1066335161.db2.gz YBOSLZFYKOAJMR-HOYKHHGWSA-N 0 0 452.913 4.746 20 0 JJADRN O=C(N1CCC(OC[C@@H]2CCCO2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001454819648 1066335185 /nfs/dbraw/zinc/33/51/85/1066335185.db2.gz XWIAGBSTHOSNDX-NRFANRHFSA-N 0 0 450.417 4.838 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCC(Nc2ccccc2)CC1 ZINC001443595464 1066335226 /nfs/dbraw/zinc/33/52/26/1066335226.db2.gz CNJQOSPUMDRSMR-UHFFFAOYSA-N 0 0 452.190 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC001443596026 1066335306 /nfs/dbraw/zinc/33/53/06/1066335306.db2.gz FSNQKQGUHQCXAE-UHFFFAOYSA-N 0 0 456.543 4.502 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001361089405 1066335314 /nfs/dbraw/zinc/33/53/14/1066335314.db2.gz SSDVMXDGZMYXRI-UHFFFAOYSA-N 0 0 490.048 4.719 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC1(C)CC1 ZINC001361089375 1066335383 /nfs/dbraw/zinc/33/53/83/1066335383.db2.gz SGHFVAJYNKQSKO-UHFFFAOYSA-N 0 0 486.966 4.945 20 0 JJADRN Cc1cccc(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1Br ZINC001454827356 1066335719 /nfs/dbraw/zinc/33/57/19/1066335719.db2.gz JPVLPMFTODQKOW-VBUUOAMHSA-N 0 0 451.405 4.594 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001443600193 1066335698 /nfs/dbraw/zinc/33/56/98/1066335698.db2.gz GKZIUPPZXUEWHY-PEBXRYMYSA-N 0 0 451.539 4.784 20 0 JJADRN CCN(C(=O)C[C@H](NC(N)=O)c1cccc(C)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443604371 1066336204 /nfs/dbraw/zinc/33/62/04/1066336204.db2.gz MSNANZADBYGARE-LADGPHEKSA-N 0 0 450.970 4.781 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)C1 ZINC001454835141 1066336205 /nfs/dbraw/zinc/33/62/05/1066336205.db2.gz MDOMPYWMPLUMSH-HYBUGGRVSA-N 0 0 451.007 4.536 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)C1 ZINC001454835161 1066336458 /nfs/dbraw/zinc/33/64/58/1066336458.db2.gz MDOMPYWMPLUMSH-YKSBVNFPSA-N 0 0 451.007 4.536 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001454853612 1066336496 /nfs/dbraw/zinc/33/64/96/1066336496.db2.gz NHRXVPBPRBWHRC-UHFFFAOYSA-N 0 0 452.002 4.573 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443607169 1066336823 /nfs/dbraw/zinc/33/68/23/1066336823.db2.gz WYVDOFIGHBAXNL-BKMJKUGQSA-N 0 0 455.574 4.931 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443607172 1066336863 /nfs/dbraw/zinc/33/68/63/1066336863.db2.gz WYVDOFIGHBAXNL-NVQXNPDNSA-N 0 0 455.574 4.931 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)cs1 ZINC001454860238 1066336809 /nfs/dbraw/zinc/33/68/09/1066336809.db2.gz UCEVJUBIZSMOGD-UHFFFAOYSA-N 0 0 450.004 4.916 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546065871 1066337023 /nfs/dbraw/zinc/33/70/23/1066337023.db2.gz BDVONRCODDJBNK-WAIKUNEKSA-N 0 0 463.026 4.875 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001361089579 1066336885 /nfs/dbraw/zinc/33/68/85/1066336885.db2.gz XXAPBMMOZHAVOQ-BCHFMIIMSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C(C)C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001361089690 1066337261 /nfs/dbraw/zinc/33/72/61/1066337261.db2.gz ZWPKGDHGWXTSRF-SANMLTNESA-N 0 0 488.076 4.602 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCCCC2)n1CCCc1cnn(C)c1 ZINC001361089608 1066337560 /nfs/dbraw/zinc/33/75/60/1066337560.db2.gz YLAVEMLUEYKPMM-UHFFFAOYSA-N 0 0 471.049 4.998 20 0 JJADRN CCc1c[nH]c(=O)c(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 ZINC001443616175 1066337965 /nfs/dbraw/zinc/33/79/65/1066337965.db2.gz FERIPNCXGIPEEE-HSZRJFAPSA-N 0 0 450.583 4.679 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC001361090112 1066338047 /nfs/dbraw/zinc/33/80/47/1066338047.db2.gz AKOGIIMPKHZXSO-CALCHBBNSA-N 0 0 490.073 4.987 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001546065980 1066337946 /nfs/dbraw/zinc/33/79/46/1066337946.db2.gz DIJPCHLHVNIGEI-HSZRJFAPSA-N 0 0 488.405 4.529 20 0 JJADRN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454882879 1066338003 /nfs/dbraw/zinc/33/80/03/1066338003.db2.gz UVESNGKAJIVRKY-INIZCTEOSA-N 0 0 452.636 4.532 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3CC[C@H](c4ccccc4F)C3(C)C)cc21 ZINC001454882043 1066338136 /nfs/dbraw/zinc/33/81/36/1066338136.db2.gz SCSFGEUIVGGDMI-IEBWSBKVSA-N 0 0 456.562 4.790 20 0 JJADRN CCCN(C(=O)c1ccc(NCCc2ccccn2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443620149 1066338252 /nfs/dbraw/zinc/33/82/52/1066338252.db2.gz DEBOPYTVGTWUHB-HSZRJFAPSA-N 0 0 452.599 4.598 20 0 JJADRN Nc1c(F)cc(F)cc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001443620652 1066338392 /nfs/dbraw/zinc/33/83/92/1066338392.db2.gz RGMCQSRFTHCPIP-JOCHJYFZSA-N 0 0 456.537 4.876 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC001443617150 1066338514 /nfs/dbraw/zinc/33/85/14/1066338514.db2.gz NVSYEGHEDOWPNI-NRFANRHFSA-N 0 0 454.691 4.760 20 0 JJADRN CCc1sc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1Br ZINC001454887238 1066338717 /nfs/dbraw/zinc/33/87/17/1066338717.db2.gz IZFDAANYDVOKHO-UHFFFAOYSA-N 0 0 451.386 4.604 20 0 JJADRN O=C([C@H](O)c1ccc(Cl)cc1F)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443627897 1066339027 /nfs/dbraw/zinc/33/90/27/1066339027.db2.gz APBMZLQTLTZPPN-HXUWFJFHSA-N 0 0 454.304 4.621 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C1CC1 ZINC001361090437 1066339034 /nfs/dbraw/zinc/33/90/34/1066339034.db2.gz DLDQRFUYIAOCDM-MRXNPFEDSA-N 0 0 471.955 4.659 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@@H]2C)n1CC1(O)CCCCCC1 ZINC001361090658 1066339055 /nfs/dbraw/zinc/33/90/55/1066339055.db2.gz GXZHRUULXXMGQY-FQEVSTJZSA-N 0 0 477.049 4.562 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3C[C@H]3C3CCOCC3)c2)cc1C ZINC001454890095 1066339250 /nfs/dbraw/zinc/33/92/50/1066339250.db2.gz PDKVYOTUJHMPTL-RXVVDRJESA-N 0 0 477.026 4.550 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N1CC[C@@H](CSc2ccccc2)C1 ZINC001361090825 1066339368 /nfs/dbraw/zinc/33/93/68/1066339368.db2.gz RHUBCUOMQNYGAS-GFCCVEGCSA-N 0 0 456.203 4.861 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H]1CCC(F)(F)C1 ZINC001361090777 1066339440 /nfs/dbraw/zinc/33/94/40/1066339440.db2.gz JTDCVDUGULXVJG-POAQFYNOSA-N 0 0 483.003 4.894 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC001361090872 1066339553 /nfs/dbraw/zinc/33/95/53/1066339553.db2.gz SAXCUGNMWKSRLL-JOCHJYFZSA-N 0 0 451.636 4.591 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)n1 ZINC001361090941 1066340022 /nfs/dbraw/zinc/34/00/22/1066340022.db2.gz LMQDHQXPEDUUPW-LLVKDONJSA-N 0 0 455.367 4.799 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001361090900 1066340049 /nfs/dbraw/zinc/34/00/49/1066340049.db2.gz LDGAZUFJUSTRFT-OPAMFIHVSA-N 0 0 459.493 4.860 20 0 JJADRN CCCc1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)n[nH]1 ZINC001443629727 1066340420 /nfs/dbraw/zinc/34/04/20/1066340420.db2.gz DXYXWPLGCPFLON-UHFFFAOYSA-N 0 0 455.356 4.930 20 0 JJADRN Cc1c(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)sc2cccc(F)c12 ZINC001454902469 1066340755 /nfs/dbraw/zinc/34/07/55/1066340755.db2.gz BCQLXBKOIQCAAU-JKSUJKDBSA-N 0 0 457.571 4.670 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001361091182 1066340795 /nfs/dbraw/zinc/34/07/95/1066340795.db2.gz NSAIFENWEZSTQX-YKSBVNFPSA-N 0 0 491.076 4.929 20 0 JJADRN O=C(C[C@@H](O)c1ccc(Cl)cc1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443633604 1066341222 /nfs/dbraw/zinc/34/12/22/1066341222.db2.gz OZYLFRBEPNIQRX-OAQYLSRUSA-N 0 0 450.341 4.872 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCOCCCO)C1 ZINC001546066467 1066341237 /nfs/dbraw/zinc/34/12/37/1066341237.db2.gz OIOWYHXTXIMESI-XMMPIXPASA-N 0 0 458.603 4.838 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001361091707 1066341371 /nfs/dbraw/zinc/34/13/71/1066341371.db2.gz SRLYYRYYZSTRSK-UHFFFAOYSA-N 0 0 463.479 4.796 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2c(C)nn(C)c2C)C1 ZINC001546066510 1066341474 /nfs/dbraw/zinc/34/14/74/1066341474.db2.gz PNJALTFYADWBLN-AREMUKBSSA-N 0 0 466.630 4.766 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCOC2)C1 ZINC001546066540 1066341571 /nfs/dbraw/zinc/34/15/71/1066341571.db2.gz QBYCZBAZYNFDGL-OPAMFIHVSA-N 0 0 463.420 4.769 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C)C2)n1CCCc1nccs1 ZINC001361091769 1066341906 /nfs/dbraw/zinc/34/19/06/1066341906.db2.gz TYYQKGLPSOZMCK-SFHVURJKSA-N 0 0 476.046 4.566 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCn2cc(C)cn2)C1 ZINC001546066567 1066342079 /nfs/dbraw/zinc/34/20/79/1066342079.db2.gz QUWUFZQZSLSYRP-VWLOTQADSA-N 0 0 452.603 4.572 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC(F)(F)F ZINC001361091830 1066341983 /nfs/dbraw/zinc/34/19/83/1066341983.db2.gz VFTCOJRPUAEOLG-HNNXBMFYSA-N 0 0 460.928 4.818 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H]1CCC=CO1 ZINC001361091798 1066342035 /nfs/dbraw/zinc/34/20/35/1066342035.db2.gz UMPSBABUNAPBCJ-TZIWHRDSSA-N 0 0 475.033 4.948 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1C[C@](C)(O)c1ccco1 ZINC001361091782 1066342139 /nfs/dbraw/zinc/34/21/39/1066342139.db2.gz UJERAHNPOJNULS-KOSHJBKYSA-N 0 0 491.057 4.694 20 0 JJADRN Cc1ncsc1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSCC1 ZINC001361091861 1066342392 /nfs/dbraw/zinc/34/23/92/1066342392.db2.gz WBYCRKKRWCJZIZ-UHFFFAOYSA-N 0 0 478.087 4.812 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001454921499 1066342532 /nfs/dbraw/zinc/34/25/32/1066342532.db2.gz WUDXBGUQHVCNFI-QGZVFWFLSA-N 0 0 458.002 4.989 20 0 JJADRN C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)CCN1CSCCSC1 ZINC001454921989 1066342659 /nfs/dbraw/zinc/34/26/59/1066342659.db2.gz KYBFSUFKMHHJBX-LJQANCHMSA-N 0 0 450.567 4.855 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1C(C)C)OC ZINC001545960741 1066342874 /nfs/dbraw/zinc/34/28/74/1066342874.db2.gz IWEJQISQAKFCKR-HNAYVOBHSA-N 0 0 451.409 4.766 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@H]2C)n1C[C@H](C)c1nccs1 ZINC001361092074 1066343093 /nfs/dbraw/zinc/34/30/93/1066343093.db2.gz ZJRWGNAJGYJUHX-ZWKOTPCHSA-N 0 0 476.046 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC001443643480 1066343325 /nfs/dbraw/zinc/34/33/25/1066343325.db2.gz FRVFRRLKRINXSO-IBGZPJMESA-N 0 0 456.612 4.701 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001361092788 1066343597 /nfs/dbraw/zinc/34/35/97/1066343597.db2.gz SOEQIUHAGJTRKF-IBGZPJMESA-N 0 0 476.394 4.731 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCCC1)CC2 ZINC001361092299 1066343649 /nfs/dbraw/zinc/34/36/49/1066343649.db2.gz FPTQOVVOXDWWQX-UHFFFAOYSA-N 0 0 455.622 4.670 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)cc1 ZINC001443640321 1066343612 /nfs/dbraw/zinc/34/36/12/1066343612.db2.gz GFRCDQVZWKLIPP-HSZRJFAPSA-N 0 0 452.624 4.649 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc([C@H]3CCCCO3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2 ZINC001361093384 1066344001 /nfs/dbraw/zinc/34/40/01/1066344001.db2.gz YTJZWNTYDWJHOR-XMSQKQJNSA-N 0 0 487.620 4.785 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(CO)c2)C1 ZINC001546066666 1066344323 /nfs/dbraw/zinc/34/43/23/1066344323.db2.gz SHXPBNHMQZYEFM-NRFANRHFSA-N 0 0 461.429 4.936 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@](F)(c4ccccc4)C3)c2)cc1 ZINC001454940959 1066344342 /nfs/dbraw/zinc/34/43/42/1066344342.db2.gz ZBQFSXWNZVVAAJ-RUZDIDTESA-N 0 0 452.551 4.897 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC(C)C)C1 ZINC001546066656 1066344439 /nfs/dbraw/zinc/34/44/39/1066344439.db2.gz SBZQMRNACSARKZ-JOCHJYFZSA-N 0 0 462.436 4.557 20 0 JJADRN CCCO[C@@H](C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1C ZINC001361093764 1066344512 /nfs/dbraw/zinc/34/45/12/1066344512.db2.gz OQCGXOMNQAETQW-UQBPGWFLSA-N 0 0 455.574 4.736 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2nnc(C)s2)C1 ZINC001546066691 1066344986 /nfs/dbraw/zinc/34/49/86/1066344986.db2.gz SWOTZWRCVDVTQZ-HXUWFJFHSA-N 0 0 479.423 4.876 20 0 JJADRN COC(C)(C)CCNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001454951286 1066345051 /nfs/dbraw/zinc/34/50/51/1066345051.db2.gz ZQNFNQUNUXNJJH-UHFFFAOYSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001361095238 1066345410 /nfs/dbraw/zinc/34/54/10/1066345410.db2.gz STIIHYFHCQVSFR-UHFFFAOYSA-N 0 0 476.522 4.928 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3sccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962665 1066345534 /nfs/dbraw/zinc/34/55/34/1066345534.db2.gz AUBVGTLEEAGOQL-IVAOSVALSA-N 0 0 456.608 4.688 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001361094934 1066345550 /nfs/dbraw/zinc/34/55/50/1066345550.db2.gz AYSASUGPYZWUBH-OAQYLSRUSA-N 0 0 487.670 4.538 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001361095183 1066345596 /nfs/dbraw/zinc/34/55/96/1066345596.db2.gz RNXPFOLBHIUYDO-JOCHJYFZSA-N 0 0 458.622 4.894 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)ccn3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962599 1066345791 /nfs/dbraw/zinc/34/57/91/1066345791.db2.gz AMAAOKHSFWISRL-UKILVPOCSA-N 0 0 473.573 4.890 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H](SC)c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964249 1066346285 /nfs/dbraw/zinc/34/62/85/1066346285.db2.gz NNVIOYPFYIAMRC-BHDDXSALSA-N 0 0 456.608 4.619 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(C(F)F)cc2)c2cc(F)ccc2F)c1 ZINC001361096076 1066346253 /nfs/dbraw/zinc/34/62/53/1066346253.db2.gz CAFQXKNIGWIYIW-FQEVSTJZSA-N 0 0 451.441 4.825 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(C(F)F)cc2)c2cc(F)ccc2F)c1 ZINC001361096077 1066346517 /nfs/dbraw/zinc/34/65/17/1066346517.db2.gz CAFQXKNIGWIYIW-HXUWFJFHSA-N 0 0 451.441 4.825 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C(C)=C/c3ccc(F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965595 1066346524 /nfs/dbraw/zinc/34/65/24/1066346524.db2.gz SJTWDIYGWJXJQA-XUADXGKJSA-N 0 0 454.542 4.757 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCC(=O)c3cc(C)ccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964483 1066346579 /nfs/dbraw/zinc/34/65/79/1066346579.db2.gz PIBLTOOTDUTANR-BJKOFHAPSA-N 0 0 480.605 4.794 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c2c1CCC2 ZINC001361096362 1066346663 /nfs/dbraw/zinc/34/66/63/1066346663.db2.gz GTYWLEIVZFEVBG-DEOSSOPVSA-N 0 0 455.526 4.685 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cccc(Br)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965605 1066346861 /nfs/dbraw/zinc/34/68/61/1066346861.db2.gz SQQACYNURDROSI-VQTJNVASSA-N 0 0 475.383 4.591 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001361096791 1066347145 /nfs/dbraw/zinc/34/71/45/1066347145.db2.gz POECFMRQPZPTAZ-RKVPGOIHSA-N 0 0 457.409 4.518 20 0 JJADRN Cc1ccc(C[C@@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 ZINC001361096537 1066347198 /nfs/dbraw/zinc/34/71/98/1066347198.db2.gz KPOVZRAYDUNGNA-OSPHWJPCSA-N 0 0 457.542 4.761 20 0 JJADRN Cc1ccc(C[C@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 ZINC001361096535 1066347274 /nfs/dbraw/zinc/34/72/74/1066347274.db2.gz KPOVZRAYDUNGNA-BXKMTCNYSA-N 0 0 457.542 4.761 20 0 JJADRN COc1c(C)cc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1C ZINC001361096738 1066347376 /nfs/dbraw/zinc/34/73/76/1066347376.db2.gz OUHFNAADYMNDTF-QFIPXVFZSA-N 0 0 459.514 4.513 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)c(N)c3Cl)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966979 1066347322 /nfs/dbraw/zinc/34/73/22/1066347322.db2.gz ZQRNEJLQYNVDPZ-FUHWJXTLSA-N 0 0 480.392 4.717 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(Cc1ccnn1C)C1CC1)OC ZINC001545960939 1066347744 /nfs/dbraw/zinc/34/77/44/1066347744.db2.gz MCNLCHWFPRMELB-KRWDZBQOSA-N 0 0 493.837 4.689 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(F)c(F)c(F)c3F)cc2)c1C ZINC001454967975 1066347658 /nfs/dbraw/zinc/34/76/58/1066347658.db2.gz ACFNKGJNIYIFQR-UHFFFAOYSA-N 0 0 452.429 4.913 20 0 JJADRN Cc1c(C(=O)N[C@](C)(CO)Cc2ccc(Cl)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001454969158 1066347814 /nfs/dbraw/zinc/34/78/14/1066347814.db2.gz SVKWNXMRYDHABE-NRFANRHFSA-N 0 0 451.876 4.576 20 0 JJADRN Cc1c2ccccc2oc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001361096906 1066347801 /nfs/dbraw/zinc/34/78/01/1066347801.db2.gz ROHOJLOLFVGXOS-QFIPXVFZSA-N 0 0 455.482 4.942 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)CNC(=O)c2cccc(Br)c2)cc1 ZINC001443676987 1066347868 /nfs/dbraw/zinc/34/78/68/1066347868.db2.gz BHMCLXXMFLPHLI-UHFFFAOYSA-N 0 0 453.336 4.596 20 0 JJADRN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)Cc1csc2ccc(Br)cc12 ZINC001454971570 1066348091 /nfs/dbraw/zinc/34/80/91/1066348091.db2.gz WTXZYKYEMQFULO-FQEVSTJZSA-N 0 0 452.801 4.970 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001454972775 1066348311 /nfs/dbraw/zinc/34/83/11/1066348311.db2.gz DQPDJCLNDNECOP-ZDUSSCGKSA-N 0 0 455.408 4.616 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CCC[C@H]21)OC ZINC001545960989 1066348214 /nfs/dbraw/zinc/34/82/14/1066348214.db2.gz MVCLPLBQGPPXJI-RZQQEMMASA-N 0 0 463.420 4.910 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)Cc1cccc(C)c1 ZINC001443678890 1066348307 /nfs/dbraw/zinc/34/83/07/1066348307.db2.gz ZLQRZYWEEWTOOH-AWEZNQCLSA-N 0 0 458.274 4.538 20 0 JJADRN C[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)[C@H](C)N1CCOCC1 ZINC001443679669 1066348427 /nfs/dbraw/zinc/34/84/27/1066348427.db2.gz MJCIIKFFIVWIAX-UXHICEINSA-N 0 0 450.604 4.833 20 0 JJADRN CC[C@H](CO)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC001454978294 1066348676 /nfs/dbraw/zinc/34/86/76/1066348676.db2.gz PGCQPLZVZCUNGR-HXUWFJFHSA-N 0 0 459.015 4.510 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361099392 1066349228 /nfs/dbraw/zinc/34/92/28/1066349228.db2.gz GBWSCEQUXUUTEJ-GDLZYMKVSA-N 0 0 478.460 4.670 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)c3cccc(C)c3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001361099169 1066349437 /nfs/dbraw/zinc/34/94/37/1066349437.db2.gz BSHDMZWIHSYYHE-HOYKHHGWSA-N 0 0 455.628 4.964 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492598100 1066349955 /nfs/dbraw/zinc/34/99/55/1066349955.db2.gz JJWQZDKGLJNMCM-LEWJYISDSA-N 0 0 471.646 4.746 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1cc2c([nH]c1=O)CCCC2)CC1CCCCC1 ZINC001454992977 1066349905 /nfs/dbraw/zinc/34/99/05/1066349905.db2.gz TZOSNVFCZLGJKS-NRFANRHFSA-N 0 0 459.631 4.926 20 0 JJADRN CC[C@@H](C[C@H](C)O)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001454984163 1066349917 /nfs/dbraw/zinc/34/99/17/1066349917.db2.gz SQJIJSUYJYKOCJ-OALUTQOASA-N 0 0 450.579 4.504 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 ZINC001361100365 1066350272 /nfs/dbraw/zinc/35/02/72/1066350272.db2.gz GVYGACOWJDZDGH-SFHVURJKSA-N 0 0 457.505 4.847 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)c2)c1 ZINC001361101072 1066350553 /nfs/dbraw/zinc/35/05/53/1066350553.db2.gz AREABXSDVGFLNQ-QFIPXVFZSA-N 0 0 493.656 4.835 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361101503 1066351168 /nfs/dbraw/zinc/35/11/68/1066351168.db2.gz MMQRTBMVYAOIPD-VWLOTQADSA-N 0 0 484.670 4.502 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001361101967 1066351504 /nfs/dbraw/zinc/35/15/04/1066351504.db2.gz HWUPEYWQQULKCK-HOTGVXAUSA-N 0 0 455.462 4.721 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001545961187 1066351739 /nfs/dbraw/zinc/35/17/39/1066351739.db2.gz QLQWIOXRJWEGCU-APWZRJJASA-N 0 0 493.837 4.861 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001455006253 1066352117 /nfs/dbraw/zinc/35/21/17/1066352117.db2.gz PRLFPHYMANVSKM-PMACEKPBSA-N 0 0 459.587 4.956 20 0 JJADRN COC(=O)[C@@H](CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)c1ccc(C)cc1 ZINC001443696691 1066351996 /nfs/dbraw/zinc/35/19/96/1066351996.db2.gz ZJTWILKRCHUVPZ-SFHVURJKSA-N 0 0 450.760 4.516 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455006713 1066352435 /nfs/dbraw/zinc/35/24/35/1066352435.db2.gz WVWQTRBNOANKMJ-AOMKIAJQSA-N 0 0 457.571 4.550 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccncc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001361103061 1066352745 /nfs/dbraw/zinc/35/27/45/1066352745.db2.gz POGPAWADFZPRNV-UHFFFAOYSA-N 0 0 474.609 4.907 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C(=O)c1ccccc1 ZINC001455009783 1066353074 /nfs/dbraw/zinc/35/30/74/1066353074.db2.gz YHFOZGNKKKMNIZ-NRFANRHFSA-N 0 0 452.551 4.581 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001443701379 1066353081 /nfs/dbraw/zinc/35/30/81/1066353081.db2.gz DYVZETMEEYOSOS-HHHXNRCGSA-N 0 0 458.643 4.994 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(SC)cc1 ZINC001361103684 1066353123 /nfs/dbraw/zinc/35/31/23/1066353123.db2.gz GQVRONKZVSEXGU-KRWDZBQOSA-N 0 0 456.789 4.788 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443702288 1066353172 /nfs/dbraw/zinc/35/31/72/1066353172.db2.gz BHPZMMLLICBLHB-LJQANCHMSA-N 0 0 451.567 4.624 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NCC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001443702292 1066353211 /nfs/dbraw/zinc/35/32/11/1066353211.db2.gz BJXFUPSJTWBDNU-QGZVFWFLSA-N 0 0 459.612 4.976 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001443702191 1066353382 /nfs/dbraw/zinc/35/33/82/1066353382.db2.gz ACIJUTLYXZHOCN-UHFFFAOYSA-N 0 0 452.923 4.579 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361103202 1066353198 /nfs/dbraw/zinc/35/31/98/1066353198.db2.gz VOKFPTYAFVMQQE-HEKZAOSPSA-N 0 0 469.630 4.978 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCc4c3cccc4C)c2)cc1 ZINC001455011205 1066353604 /nfs/dbraw/zinc/35/36/04/1066353604.db2.gz CEBXDERSXPCQIN-UHFFFAOYSA-N 0 0 450.560 4.706 20 0 JJADRN Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001443703025 1066353676 /nfs/dbraw/zinc/35/36/76/1066353676.db2.gz DMZDZGGIRARMAC-LJQANCHMSA-N 0 0 451.567 4.624 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(CC3CC3)[nH]n2)nnc1-c1ccc(Cl)cc1Cl ZINC001455029392 1066354034 /nfs/dbraw/zinc/35/40/34/1066354034.db2.gz CIVOSVITFHRUKK-UHFFFAOYSA-N 0 0 451.383 4.678 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC001443704279 1066354227 /nfs/dbraw/zinc/35/42/27/1066354227.db2.gz ZSNNSUSGYIIMCJ-KRWDZBQOSA-N 0 0 455.805 4.886 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc3ncccc23)CC1 ZINC001443704038 1066354265 /nfs/dbraw/zinc/35/42/65/1066354265.db2.gz WWTYPMCMPAMXCS-QHCPKHFHSA-N 0 0 452.396 4.835 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]c21 ZINC001443704811 1066354485 /nfs/dbraw/zinc/35/44/85/1066354485.db2.gz MSUSLEAAOMAQDI-AWEZNQCLSA-N 0 0 450.377 4.616 20 0 JJADRN COc1n[nH]c(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1Br ZINC001455037514 1066354612 /nfs/dbraw/zinc/35/46/12/1066354612.db2.gz KVPGTAOALUZHHV-UHFFFAOYSA-N 0 0 450.720 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001443706251 1066354883 /nfs/dbraw/zinc/35/48/83/1066354883.db2.gz UKUFTQMFUOUBRP-KDOFPFPSSA-N 0 0 459.414 4.816 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC(c2nccc(C3CCOCC3)n2)CC1 ZINC001455047734 1066355045 /nfs/dbraw/zinc/35/50/45/1066355045.db2.gz JFEJVDDLZORQIC-UHFFFAOYSA-N 0 0 459.537 4.656 20 0 JJADRN CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1(C)C ZINC001361106090 1066355650 /nfs/dbraw/zinc/35/56/50/1066355650.db2.gz DAUJPSQCEJWXFJ-WMZHIEFXSA-N 0 0 459.384 4.977 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)n1 ZINC001455051336 1066355558 /nfs/dbraw/zinc/35/55/58/1066355558.db2.gz YFXJLLGSQVZEGI-UHFFFAOYSA-N 0 0 456.593 4.684 20 0 JJADRN CN(CCc1ccccc1C(=O)NCC(=O)c1cc2ccccc2s1)C(=O)OC(C)(C)C ZINC001455055850 1066355915 /nfs/dbraw/zinc/35/59/15/1066355915.db2.gz RWVYPOCFHIXMFQ-UHFFFAOYSA-N 0 0 452.576 4.923 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361106829 1066355898 /nfs/dbraw/zinc/35/58/98/1066355898.db2.gz IFUHUNZKLZCACQ-PZJWPPBQSA-N 0 0 469.630 4.815 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001443717661 1066356499 /nfs/dbraw/zinc/35/64/99/1066356499.db2.gz ZYJBOLDAKBOUCO-RCDICMHDSA-N 0 0 450.963 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361108282 1066356855 /nfs/dbraw/zinc/35/68/55/1066356855.db2.gz VLMQHUJZXBAEAB-VXKWHMMOSA-N 0 0 479.625 4.611 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2csc(-c3cc(Br)cs3)n2)c1 ZINC001361107814 1066357142 /nfs/dbraw/zinc/35/71/42/1066357142.db2.gz WYMZTGHCAJADRL-NSHDSACASA-N 0 0 453.383 4.840 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001455067913 1066357247 /nfs/dbraw/zinc/35/72/47/1066357247.db2.gz UGMNZOOJGJFEQO-URVUXULASA-N 0 0 479.802 4.706 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)nc21 ZINC001455071003 1066357263 /nfs/dbraw/zinc/35/72/63/1066357263.db2.gz KAZAIQJQIWNAPN-AWEZNQCLSA-N 0 0 451.589 4.829 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC001443724354 1066357387 /nfs/dbraw/zinc/35/73/87/1066357387.db2.gz FJEYKGGEUWJQJF-CYBMUJFWSA-N 0 0 457.746 4.829 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001443725556 1066357577 /nfs/dbraw/zinc/35/75/77/1066357577.db2.gz INQCRZOIFRDFLD-NRFANRHFSA-N 0 0 454.325 4.633 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546068341 1066357800 /nfs/dbraw/zinc/35/78/00/1066357800.db2.gz MYQKBFJFKHNQDN-VWLOTQADSA-N 0 0 453.587 4.932 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)c(Cl)cc1Cl ZINC001455074942 1066357928 /nfs/dbraw/zinc/35/79/28/1066357928.db2.gz HSBGSJDMOPYILH-CZUORRHYSA-N 0 0 481.323 4.889 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CC2)c1 ZINC001443726056 1066357827 /nfs/dbraw/zinc/35/78/27/1066357827.db2.gz DOSBDDRQBKWFIN-OAHLLOKOSA-N 0 0 455.908 4.842 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)c2n1 ZINC001443727181 1066358125 /nfs/dbraw/zinc/35/81/25/1066358125.db2.gz LBEYIEKXJJULFW-MRXNPFEDSA-N 0 0 459.255 4.635 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)[C@@H](c2ccccc2)C1 ZINC001455083418 1066358320 /nfs/dbraw/zinc/35/83/20/1066358320.db2.gz JEIKPAXZAYNQAZ-ISKFKSNPSA-N 0 0 453.602 4.662 20 0 JJADRN CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)cn2)CC1 ZINC001443727505 1066358304 /nfs/dbraw/zinc/35/83/04/1066358304.db2.gz LVXMDFLLVAKDEX-HXUWFJFHSA-N 0 0 452.357 4.978 20 0 JJADRN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443727485 1066358334 /nfs/dbraw/zinc/35/83/34/1066358334.db2.gz LOFPWKSIKLTZHX-IERDGZPVSA-N 0 0 454.325 4.904 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)cs1 ZINC001361109817 1066358488 /nfs/dbraw/zinc/35/84/88/1066358488.db2.gz GLTIRBHWPYOVAR-AUSIDOKSSA-N 0 0 469.655 4.661 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443728194 1066359028 /nfs/dbraw/zinc/35/90/28/1066359028.db2.gz INTVSTLEIQUDNY-IRXDYDNUSA-N 0 0 453.421 4.733 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C4CCC4)CC3)ccc2C)cc1 ZINC001455086156 1066358808 /nfs/dbraw/zinc/35/88/08/1066358808.db2.gz OWLJKTOVUNZOGS-FQEVSTJZSA-N 0 0 456.608 4.847 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001361110367 1066359447 /nfs/dbraw/zinc/35/94/47/1066359447.db2.gz NISWBTKYCRJXRZ-ISKFKSNPSA-N 0 0 480.657 4.700 20 0 JJADRN C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)cs1 ZINC001443730556 1066359295 /nfs/dbraw/zinc/35/92/95/1066359295.db2.gz QUKSYLIGLFMXFR-NRRJATNASA-N 0 0 457.459 4.968 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC001443729965 1066359393 /nfs/dbraw/zinc/35/93/93/1066359393.db2.gz NRPAVKNVVHLYMI-KRWDZBQOSA-N 0 0 459.612 4.727 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)Cc2ccccc2Br)C1 ZINC001455095429 1066359436 /nfs/dbraw/zinc/35/94/36/1066359436.db2.gz FZVLPFDGYDJPEE-QFIPXVFZSA-N 0 0 453.421 4.781 20 0 JJADRN O=C(CCC(=O)N[C@H](Cc1cccnc1)C1CCCC1)Nc1nnc(C2CCCCC2)s1 ZINC001455095532 1066359599 /nfs/dbraw/zinc/35/95/99/1066359599.db2.gz WGLIBZVBEHZMFZ-HXUWFJFHSA-N 0 0 455.628 4.617 20 0 JJADRN CN(C[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1)C(=O)OC(C)(C)C ZINC001443731520 1066359960 /nfs/dbraw/zinc/35/99/60/1066359960.db2.gz NQKNWFUYDGCDSF-CQSZACIVSA-N 0 0 459.812 4.751 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598144 1066359848 /nfs/dbraw/zinc/35/98/48/1066359848.db2.gz JTDSEIRQJCUMOV-JJTGBXKASA-N 0 0 488.698 4.672 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443731577 1066360007 /nfs/dbraw/zinc/36/00/07/1066360007.db2.gz PONUVVMVXJLIBC-INIZCTEOSA-N 0 0 453.674 4.744 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)c1 ZINC001361110818 1066360427 /nfs/dbraw/zinc/36/04/27/1066360427.db2.gz UBGYPGFCRRFLNO-JFJDKTSWSA-N 0 0 470.658 4.976 20 0 JJADRN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443732105 1066360363 /nfs/dbraw/zinc/36/03/63/1066360363.db2.gz UEBIPZQWWBZBTP-SFHVURJKSA-N 0 0 455.704 4.580 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455100156 1066360489 /nfs/dbraw/zinc/36/04/89/1066360489.db2.gz GZXVVPLJNHHKOS-WXTAPIANSA-N 0 0 454.615 4.598 20 0 JJADRN O=C(c1cc(Br)cnc1OCC1CC1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001443734160 1066360739 /nfs/dbraw/zinc/36/07/39/1066360739.db2.gz WQCSVQIWBYRUJW-GOSISDBHSA-N 0 0 451.748 4.500 20 0 JJADRN O=C(COCc1nc2ccccc2s1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443733542 1066360904 /nfs/dbraw/zinc/36/09/04/1066360904.db2.gz XEQSVVKSMFMASJ-QGZVFWFLSA-N 0 0 455.338 4.859 20 0 JJADRN COc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(OC(F)F)c1 ZINC001443733392 1066360942 /nfs/dbraw/zinc/36/09/42/1066360942.db2.gz VXXYDBGMAJZKAG-KRWDZBQOSA-N 0 0 450.240 4.956 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001361111015 1066360863 /nfs/dbraw/zinc/36/08/63/1066360863.db2.gz VMMYHDKTRPRPOA-RTBURBONSA-N 0 0 493.599 4.779 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N(C)CC3CCCC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361110987 1066360898 /nfs/dbraw/zinc/36/08/98/1066360898.db2.gz VEHMSAHUCBIBTR-RLWLMLJZSA-N 0 0 456.631 4.721 20 0 JJADRN COC(=O)c1c(C)sc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001455101580 1066361150 /nfs/dbraw/zinc/36/11/50/1066361150.db2.gz QJOZSPZWXUGSBP-UHFFFAOYSA-N 0 0 458.561 4.513 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)c3cc(Cl)c(F)cc3Br)CC2)c1 ZINC001443739271 1066361653 /nfs/dbraw/zinc/36/16/53/1066361653.db2.gz YEACZLVPYQUKNA-ZDUSSCGKSA-N 0 0 455.755 4.769 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCC3)n2CCOc2cccc(C(F)(F)F)n2)c1 ZINC001361111775 1066362030 /nfs/dbraw/zinc/36/20/30/1066362030.db2.gz BGTFVGZASGZNDC-UHFFFAOYSA-N 0 0 475.515 4.862 20 0 JJADRN C[C@H](CC(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1)C(=O)c1cccc(F)c1 ZINC001455110309 1066362357 /nfs/dbraw/zinc/36/23/57/1066362357.db2.gz QZLJXVZVLWMXMR-MRXNPFEDSA-N 0 0 456.514 4.803 20 0 JJADRN Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001443755931 1066362519 /nfs/dbraw/zinc/36/25/19/1066362519.db2.gz FGYXZMJCJZHMBC-RMKNXTFCSA-N 0 0 454.496 4.671 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443753699 1066362652 /nfs/dbraw/zinc/36/26/52/1066362652.db2.gz FAJYURTWDZYHKM-RXFWQSSRSA-N 0 0 458.606 4.703 20 0 JJADRN CCCCn1ncc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)c1C ZINC001443756556 1066362700 /nfs/dbraw/zinc/36/27/00/1066362700.db2.gz LZMMTHOAQWHQDC-NBGIEHNGSA-N 0 0 452.643 4.617 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443753676 1066362714 /nfs/dbraw/zinc/36/27/14/1066362714.db2.gz FAJYURTWDZYHKM-FNZWTVRRSA-N 0 0 458.606 4.703 20 0 JJADRN Cc1ccc(N(C)C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1Cl ZINC001443759917 1066363117 /nfs/dbraw/zinc/36/31/17/1066363117.db2.gz NBEGDSSQOXBUOH-UHFFFAOYSA-N 0 0 453.955 4.698 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)n1 ZINC001361112608 1066363598 /nfs/dbraw/zinc/36/35/98/1066363598.db2.gz CEEVQNCVMHDVOO-GFCCVEGCSA-N 0 0 456.474 4.946 20 0 JJADRN CC[C@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)C(=O)c1ccccc1 ZINC001455122631 1066363705 /nfs/dbraw/zinc/36/37/05/1066363705.db2.gz IBUNAKHMSWTAAZ-INIZCTEOSA-N 0 0 459.365 4.973 20 0 JJADRN CCC(C)(C)c1ccc(OCC(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)c(C(C)(C)CC)c1 ZINC001455129628 1066364110 /nfs/dbraw/zinc/36/41/10/1066364110.db2.gz YZSWSCSHVMCYQQ-UHFFFAOYSA-N 0 0 457.615 4.600 20 0 JJADRN C[C@H](CCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)N(C)C(=O)OC(C)(C)C ZINC001443765371 1066364298 /nfs/dbraw/zinc/36/42/98/1066364298.db2.gz HDVCPEDGJUOABQ-CYBMUJFWSA-N 0 0 459.812 4.896 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2Cc2ccc(Cl)nc2)cs1 ZINC001361113331 1066364373 /nfs/dbraw/zinc/36/43/73/1066364373.db2.gz JEEOSPHCEFEFTM-UHFFFAOYSA-N 0 0 469.014 4.554 20 0 JJADRN COc1ccc(SCCCC(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001455138764 1066364473 /nfs/dbraw/zinc/36/44/73/1066364473.db2.gz IARREDUCHSTKLM-UHFFFAOYSA-N 0 0 456.608 4.830 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccccc1 ZINC001443766345 1066364522 /nfs/dbraw/zinc/36/45/22/1066364522.db2.gz OIOSCHSOJOYMHI-DQEYMECFSA-N 0 0 458.558 4.948 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361113577 1066364561 /nfs/dbraw/zinc/36/45/61/1066364561.db2.gz LZQRICCNDHOCRK-UHFFFAOYSA-N 0 0 482.510 4.550 20 0 JJADRN CCS[C@H]1CCCCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC001443766818 1066365089 /nfs/dbraw/zinc/36/50/89/1066365089.db2.gz JFRMFGQQIPYNQM-AWEZNQCLSA-N 0 0 451.683 4.643 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001443767286 1066365142 /nfs/dbraw/zinc/36/51/42/1066365142.db2.gz KTWRUNCKBVZNAN-JKSUJKDBSA-N 0 0 453.332 4.822 20 0 JJADRN Cc1cc2cc(Cn3c(C(C)C)nnc3N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)ccc2[nH]1 ZINC001361113695 1066365038 /nfs/dbraw/zinc/36/50/38/1066365038.db2.gz PHGGCKIVTWSPMX-ICSRJNTNSA-N 0 0 466.630 4.979 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(CC(C)C)n2CCc2nc3c(s2)CCCC3)c1 ZINC001361113864 1066365092 /nfs/dbraw/zinc/36/50/92/1066365092.db2.gz VNESTMXAEWFVPZ-UHFFFAOYSA-N 0 0 453.656 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)(c2ccccc2)C1 ZINC001455142048 1066365255 /nfs/dbraw/zinc/36/52/55/1066365255.db2.gz QYKQHDVNQQCOHY-SFHVURJKSA-N 0 0 452.448 4.978 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001361114140 1066365295 /nfs/dbraw/zinc/36/52/95/1066365295.db2.gz CANIJLVAPMPYLB-IIDMSEBBSA-N 0 0 457.409 4.518 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361113968 1066365372 /nfs/dbraw/zinc/36/53/72/1066365372.db2.gz YDXRJPNFPLAYGZ-XJUOHMSHSA-N 0 0 497.640 4.565 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccoc2COc2ccc(C=O)cc2)c1 ZINC001443770060 1066365341 /nfs/dbraw/zinc/36/53/41/1066365341.db2.gz JVLAGAOVYCQEDL-UHFFFAOYSA-N 0 0 455.532 4.637 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)NC[C@@H]1CCN(CC(F)F)C1 ZINC001455150656 1066365675 /nfs/dbraw/zinc/36/56/75/1066365675.db2.gz JECAQTQNSUWQDN-ZDUSSCGKSA-N 0 0 458.372 4.506 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)Oc1ccc(Cl)cc1 ZINC001361114541 1066365995 /nfs/dbraw/zinc/36/59/95/1066365995.db2.gz LXUPISVUYWVWIJ-KKLQWCBXSA-N 0 0 473.013 4.949 20 0 JJADRN Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCCCN(C)c1ccccn1 ZINC001455156045 1066366409 /nfs/dbraw/zinc/36/64/09/1066366409.db2.gz YMWYDAHASSHHBA-UHFFFAOYSA-N 0 0 453.384 4.834 20 0 JJADRN COc1cc2cc(C(=O)NCC(=O)c3sc4ccccc4c3Cl)[nH]c2c(OC)c1OC ZINC001455167561 1066367201 /nfs/dbraw/zinc/36/72/01/1066367201.db2.gz WSXBJIDTWVJALM-UHFFFAOYSA-N 0 0 458.923 4.675 20 0 JJADRN Cc1ccn2cc(Cn3c(C(C)C)nnc3N(C)CCc3ccc(Br)cc3)nc2c1 ZINC001361116070 1066367543 /nfs/dbraw/zinc/36/75/43/1066367543.db2.gz WMXVGYJRULAYLB-UHFFFAOYSA-N 0 0 467.415 4.847 20 0 JJADRN Cc1ccn2cc(Cn3c(-c4ccccc4Br)nnc3N(C)CCC(F)F)nc2c1 ZINC001361116115 1066367660 /nfs/dbraw/zinc/36/76/60/1066367660.db2.gz XFCCLKGPQIUROO-UHFFFAOYSA-N 0 0 475.341 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)C1(C)C ZINC001455166026 1066367531 /nfs/dbraw/zinc/36/75/31/1066367531.db2.gz KQEMRCSWJWBPOJ-MRXNPFEDSA-N 0 0 451.445 4.811 20 0 JJADRN Cc1nn(C2CCOCC2)cc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001455170523 1066367905 /nfs/dbraw/zinc/36/79/05/1066367905.db2.gz XOUUFWLSKLKFTR-UHFFFAOYSA-N 0 0 457.328 4.745 20 0 JJADRN Cc1cc(C)c(OCC(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c(C)c1 ZINC001443784818 1066367904 /nfs/dbraw/zinc/36/79/04/1066367904.db2.gz BGYPORHUVPGSGZ-UHFFFAOYSA-N 0 0 451.954 4.707 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC001361117054 1066368327 /nfs/dbraw/zinc/36/83/27/1066368327.db2.gz ZFKMNDXPGVAHHU-IBGZPJMESA-N 0 0 480.682 4.706 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4ccccc4C)n3CCC(C)C)CC2)s1 ZINC001361117302 1066368401 /nfs/dbraw/zinc/36/84/01/1066368401.db2.gz DSJITSAVUKOGMY-UHFFFAOYSA-N 0 0 465.667 4.992 20 0 JJADRN Cc1cccc(CSCC(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1 ZINC001443787581 1066368422 /nfs/dbraw/zinc/36/84/22/1066368422.db2.gz JHXSRKPJRJXGBP-UHFFFAOYSA-N 0 0 453.995 4.944 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC001443787028 1066368594 /nfs/dbraw/zinc/36/85/94/1066368594.db2.gz IIBCVSIDYDDUEV-OAQYLSRUSA-N 0 0 456.308 4.822 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCSc3ccccc3)CC2)s1 ZINC001361117838 1066369028 /nfs/dbraw/zinc/36/90/28/1066369028.db2.gz OMSJDQJFSJTEQC-UHFFFAOYSA-N 0 0 469.680 4.601 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)CC2)s1 ZINC001361117844 1066369075 /nfs/dbraw/zinc/36/90/75/1066369075.db2.gz OTDRXLUGASEEGJ-UHFFFAOYSA-N 0 0 457.566 4.687 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCCCO3)CC2)s1 ZINC001361117446 1066369128 /nfs/dbraw/zinc/36/91/28/1066369128.db2.gz GXCGOGKVJQOGOR-HXUWFJFHSA-N 0 0 473.687 4.595 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001455193116 1066369385 /nfs/dbraw/zinc/36/93/85/1066369385.db2.gz GUPLJYAGWQGSAS-KRWDZBQOSA-N 0 0 453.417 4.855 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3sccc3C)CC2)s1 ZINC001361118046 1066369391 /nfs/dbraw/zinc/36/93/91/1066369391.db2.gz RRYWRPPZKFJJOB-UHFFFAOYSA-N 0 0 457.669 4.783 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCC(=O)OCc3ccccc3Cl)c12 ZINC001443795049 1066369614 /nfs/dbraw/zinc/36/96/14/1066369614.db2.gz PBPSTCWIMQEWTH-UHFFFAOYSA-N 0 0 456.974 4.745 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)C3CCCCC3)CC2)s1 ZINC001361118091 1066369533 /nfs/dbraw/zinc/36/95/33/1066369533.db2.gz SHKCANKYIBQKJZ-SANMLTNESA-N 0 0 487.714 4.676 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C4CCCC4)n3CCCOC(F)(F)F)CC2)s1 ZINC001361118469 1066369793 /nfs/dbraw/zinc/36/97/93/1066369793.db2.gz ZHDFCNHSKSOFGT-UHFFFAOYSA-N 0 0 485.576 4.631 20 0 JJADRN CC[C@@H](C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001361118906 1066369816 /nfs/dbraw/zinc/36/98/16/1066369816.db2.gz JXVBSBDUVISDRO-CABCVRRESA-N 0 0 452.729 4.501 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1C ZINC001361118414 1066369940 /nfs/dbraw/zinc/36/99/40/1066369940.db2.gz WSOCOAGDEIZQQD-NOZRDPDXSA-N 0 0 454.636 4.599 20 0 JJADRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cn(-c2ccc(Br)cc2)cn1 ZINC001361118762 1066370015 /nfs/dbraw/zinc/37/00/15/1066370015.db2.gz FKCOJPADVKRVFC-HNNXBMFYSA-N 0 0 453.123 4.805 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)Nc3ccc(CNC(C)=O)cc3)cc2s1 ZINC001443809862 1066370492 /nfs/dbraw/zinc/37/04/92/1066370492.db2.gz BSOSROQKHPACBF-UHFFFAOYSA-N 0 0 452.561 4.998 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)cc1F ZINC001361119529 1066370618 /nfs/dbraw/zinc/37/06/18/1066370618.db2.gz CGRPSPGQXHANRK-UHFFFAOYSA-N 0 0 494.434 4.739 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCC[C@@]3(CC=CCC3)C2)cc1F ZINC001361119824 1066371049 /nfs/dbraw/zinc/37/10/49/1066371049.db2.gz BSPAXNCJCLGGML-SANMLTNESA-N 0 0 453.606 4.681 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC001443815371 1066371086 /nfs/dbraw/zinc/37/10/86/1066371086.db2.gz IBRMUKQSHVQWEX-YTTGMZPUSA-N 0 0 452.576 4.704 20 0 JJADRN COC(=O)[C@@H](CNC(=O)Cc1cc(Br)ccc1C)Cc1cccc2ccccc21 ZINC001443818337 1066371113 /nfs/dbraw/zinc/37/11/13/1066371113.db2.gz MTDQBBGJZSSLAA-HXUWFJFHSA-N 0 0 454.364 4.601 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(C3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1F ZINC001361120846 1066371411 /nfs/dbraw/zinc/37/14/11/1066371411.db2.gz QVIKRVNVTFLMPF-SFHVURJKSA-N 0 0 467.511 4.592 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(C3CCC3)nnc2N(C)Cc2csc(Br)c2)cc1 ZINC001361121046 1066371468 /nfs/dbraw/zinc/37/14/68/1066371468.db2.gz XCHAXZPPSMZKHT-UHFFFAOYSA-N 0 0 488.455 4.744 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N(C)C2CCC(C)CC2)cc1 ZINC001361121965 1066371901 /nfs/dbraw/zinc/37/19/01/1066371901.db2.gz AAHJTWAMOIEQPQ-UHFFFAOYSA-N 0 0 451.640 4.684 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H](c2nccs2)C1)c1ccc(C(F)(F)F)cc1 ZINC001455221573 1066371862 /nfs/dbraw/zinc/37/18/62/1066371862.db2.gz NANMHSJDOFLEPE-GDBMZVCRSA-N 0 0 455.502 4.744 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1Br ZINC001443822013 1066371943 /nfs/dbraw/zinc/37/19/43/1066371943.db2.gz AZKXHEYXAQXLTB-GOSISDBHSA-N 0 0 455.437 4.992 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@]2(O)CCSC2)c1 ZINC001361122006 1066372100 /nfs/dbraw/zinc/37/21/00/1066372100.db2.gz BKSOOVJYDNHDSE-CLOONOSVSA-N 0 0 470.639 4.947 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001443824524 1066372218 /nfs/dbraw/zinc/37/22/18/1066372218.db2.gz RACKLXOIHCKTRK-AUUYWEPGSA-N 0 0 453.004 4.856 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC001443824499 1066372410 /nfs/dbraw/zinc/37/24/10/1066372410.db2.gz QSVLOCBHVSGGMU-UHFFFAOYSA-N 0 0 452.551 4.782 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001443824536 1066372477 /nfs/dbraw/zinc/37/24/77/1066372477.db2.gz RACKLXOIHCKTRK-LIRRHRJNSA-N 0 0 453.004 4.856 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001455222838 1066372624 /nfs/dbraw/zinc/37/26/24/1066372624.db2.gz GBVPPAXPMGWGKH-GOSISDBHSA-N 0 0 458.274 4.671 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545962541 1066372922 /nfs/dbraw/zinc/37/29/22/1066372922.db2.gz FKCFHLZZFIUYFU-FCHUYYIVSA-N 0 0 495.624 4.598 20 0 JJADRN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001455224549 1066372775 /nfs/dbraw/zinc/37/27/75/1066372775.db2.gz JUBALSFXYNGQMK-KRWDZBQOSA-N 0 0 458.358 4.658 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)CC[C@H]2C)cc1F ZINC001361122661 1066372849 /nfs/dbraw/zinc/37/28/49/1066372849.db2.gz NDRCLCQZAPHNND-ICGULJKJSA-N 0 0 485.648 4.699 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCCC2 ZINC001455224725 1066372958 /nfs/dbraw/zinc/37/29/58/1066372958.db2.gz JUMVKRPKWKXIGD-AVHDXFAHSA-N 0 0 458.599 4.791 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1)NC(=O)OC(C)(C)C ZINC001443832022 1066373265 /nfs/dbraw/zinc/37/32/65/1066373265.db2.gz OKDJUEYAVGMATP-LJQANCHMSA-N 0 0 458.990 4.954 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnc(C)c(C)c1 ZINC001455228427 1066373354 /nfs/dbraw/zinc/37/33/54/1066373354.db2.gz VDLFIYBSKLZOHS-VWLOTQADSA-N 0 0 459.546 4.581 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001361123414 1066373497 /nfs/dbraw/zinc/37/34/97/1066373497.db2.gz AGDLYFGFUZZSTQ-PKOBYXMFSA-N 0 0 477.600 4.685 20 0 JJADRN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC001443830925 1066373500 /nfs/dbraw/zinc/37/35/00/1066373500.db2.gz MPQXBZSVAGQFJE-QHCPKHFHSA-N 0 0 452.601 4.726 20 0 JJADRN CC(C)C(=O)Nc1cccc(OC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC001443835581 1066373833 /nfs/dbraw/zinc/37/38/33/1066373833.db2.gz XPQCUZCVPVJNGB-UHFFFAOYSA-N 0 0 450.495 4.949 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C3CCCCC3)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001361123574 1066373876 /nfs/dbraw/zinc/37/38/76/1066373876.db2.gz GAPPDFUGCMAKAS-FQRUVTKNSA-N 0 0 456.631 4.598 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545962661 1066373885 /nfs/dbraw/zinc/37/38/85/1066373885.db2.gz HVKQWWLJSUSHQN-IBGZPJMESA-N 0 0 469.586 4.795 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)CCNC(=O)Nc3ccc(Br)cc3)cc2)[nH]c1C ZINC001455248392 1066374620 /nfs/dbraw/zinc/37/46/20/1066374620.db2.gz PLAGXAXHKPGOLZ-UHFFFAOYSA-N 0 0 456.344 4.606 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c(Cl)n1 ZINC001455239252 1066374685 /nfs/dbraw/zinc/37/46/85/1066374685.db2.gz ADKKLHMVINVQJX-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1F ZINC001455248713 1066374861 /nfs/dbraw/zinc/37/48/61/1066374861.db2.gz JRWJTAXHAMEDGT-UHFFFAOYSA-N 0 0 451.889 4.550 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C=C(\C)c1ccccc1OC(F)F)Cc1ccc2ccccc2c1 ZINC001443843874 1066374835 /nfs/dbraw/zinc/37/48/35/1066374835.db2.gz YEFKDQRESABRTF-RYEVTAHJSA-N 0 0 453.485 4.993 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)CCC(F)(F)F)cnn1C ZINC001361123773 1066375413 /nfs/dbraw/zinc/37/54/13/1066375413.db2.gz MMNYMJPETMZBBY-UHFFFAOYSA-N 0 0 464.536 4.768 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)N2CCOCC2)o1 ZINC001361123898 1066375630 /nfs/dbraw/zinc/37/56/30/1066375630.db2.gz QKICPEPAKAGGHE-NRFANRHFSA-N 0 0 481.641 4.547 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001443847800 1066375895 /nfs/dbraw/zinc/37/58/95/1066375895.db2.gz KWPFPDSEOWFBIL-ISKFKSNPSA-N 0 0 450.966 4.957 20 0 JJADRN CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)Cc1ccccc1Cl ZINC001455254337 1066375905 /nfs/dbraw/zinc/37/59/05/1066375905.db2.gz CDOOKNJUPGIUCV-UHFFFAOYSA-N 0 0 450.023 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[C@@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001455258196 1066376446 /nfs/dbraw/zinc/37/64/46/1066376446.db2.gz YZEGZDKECXFJNO-BTYIYWSLSA-N 0 0 450.448 4.576 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCOCC3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361123999 1066376616 /nfs/dbraw/zinc/37/66/16/1066376616.db2.gz SYNAEJNFRFCIBA-UHFFFAOYSA-N 0 0 495.672 4.547 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546070690 1066376775 /nfs/dbraw/zinc/37/67/75/1066376775.db2.gz NPVJVCFSSMWJSW-WZOHSFFVSA-N 0 0 461.651 4.793 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)on1 ZINC001455266087 1066377070 /nfs/dbraw/zinc/37/70/70/1066377070.db2.gz MVAAGILWFGEGEU-UHFFFAOYSA-N 0 0 457.596 4.748 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC001443852724 1066376841 /nfs/dbraw/zinc/37/68/41/1066376841.db2.gz UKQUJKCDAPVDGE-SFHVURJKSA-N 0 0 459.546 4.982 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001361124091 1066377100 /nfs/dbraw/zinc/37/71/00/1066377100.db2.gz WUPNUTWECCKXQQ-NRFANRHFSA-N 0 0 488.636 4.624 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC001443860236 1066377535 /nfs/dbraw/zinc/37/75/35/1066377535.db2.gz LCZBILZNRDDVPA-ZDUSSCGKSA-N 0 0 453.992 4.669 20 0 JJADRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001455273210 1066378578 /nfs/dbraw/zinc/37/85/78/1066378578.db2.gz IDQKFFDUIRIEKD-INIZCTEOSA-N 0 0 456.514 4.803 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC[C@H]1c1ccc(C)o1 ZINC001361125086 1066378638 /nfs/dbraw/zinc/37/86/38/1066378638.db2.gz QCGAEJQSVMMCIF-IHRRRGAJSA-N 0 0 459.490 4.993 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCCc1ccc(Br)cc1)c1ccc(SC)cc1 ZINC001361125210 1066378694 /nfs/dbraw/zinc/37/86/94/1066378694.db2.gz SIZJVYHJQGLPTN-IBGZPJMESA-N 0 0 450.398 4.914 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001455276454 1066379021 /nfs/dbraw/zinc/37/90/21/1066379021.db2.gz SEASLSXLEZRDHB-IRXDYDNUSA-N 0 0 456.505 4.985 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C2CC2)c1 ZINC001361125750 1066379035 /nfs/dbraw/zinc/37/90/35/1066379035.db2.gz CECFEZCAIMUEJH-UHFFFAOYSA-N 0 0 450.505 4.972 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC001443873980 1066379022 /nfs/dbraw/zinc/37/90/22/1066379022.db2.gz AYGAZLAOAPRXFE-DBVUQKKJSA-N 0 0 468.013 4.643 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@@H](Cc3ccccc3)c3cccs3)n2)c1 ZINC001443872992 1066379077 /nfs/dbraw/zinc/37/90/77/1066379077.db2.gz NZPJXWPQIOHGEG-IBGZPJMESA-N 0 0 451.573 4.999 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001361125714 1066379261 /nfs/dbraw/zinc/37/92/61/1066379261.db2.gz AZPDMXYGNDIEJV-DEOSSOPVSA-N 0 0 493.574 4.546 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCc1nc2ccccc2n1C ZINC001443873373 1066379388 /nfs/dbraw/zinc/37/93/88/1066379388.db2.gz PBIASLZYTYQXLH-ZDUSSCGKSA-N 0 0 450.764 4.506 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001361125796 1066379834 /nfs/dbraw/zinc/37/98/34/1066379834.db2.gz DMFRXLNBXDDXSH-IDISGSTGSA-N 0 0 482.625 4.837 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 ZINC001361125802 1066379884 /nfs/dbraw/zinc/37/98/84/1066379884.db2.gz DVQQRUIXNTVAPS-FDFHNCONSA-N 0 0 470.658 4.701 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001361125824 1066380157 /nfs/dbraw/zinc/38/01/57/1066380157.db2.gz FFRJTLUZZGFQGF-IDISGSTGSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001361125827 1066380324 /nfs/dbraw/zinc/38/03/24/1066380324.db2.gz FFRJTLUZZGFQGF-ZBLYBZFDSA-N 0 0 470.658 4.967 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3c(C)[nH]c4ccc(OC)cc43)CC2)nc1C ZINC001455286670 1066380400 /nfs/dbraw/zinc/38/04/00/1066380400.db2.gz HYYGDOXIMSXWFW-UHFFFAOYSA-N 0 0 455.580 4.521 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C2(C)C)cc1 ZINC001455283626 1066380509 /nfs/dbraw/zinc/38/05/09/1066380509.db2.gz KAKKOMQXFDGYBQ-RTBURBONSA-N 0 0 455.396 4.905 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1Br)C(=O)OC(C)(C)C ZINC001455286534 1066380529 /nfs/dbraw/zinc/38/05/29/1066380529.db2.gz HYFYKXSQYYQMSM-CQSZACIVSA-N 0 0 450.377 4.792 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC001443880875 1066380614 /nfs/dbraw/zinc/38/06/14/1066380614.db2.gz ISEVIJBBPXNKST-TZIWHRDSSA-N 0 0 458.942 4.580 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)C2(C)C)cc1 ZINC001455287924 1066380849 /nfs/dbraw/zinc/38/08/49/1066380849.db2.gz ZRSMBDYGJLRUGX-VQTJNVASSA-N 0 0 452.599 4.851 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443888222 1066380972 /nfs/dbraw/zinc/38/09/72/1066380972.db2.gz NAJGCZBHPOCHAD-KRWDZBQOSA-N 0 0 457.746 4.704 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546071124 1066381068 /nfs/dbraw/zinc/38/10/68/1066381068.db2.gz WGQRQJADWKMRKF-DENIHFKCSA-N 0 0 463.420 4.966 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccsc4[C@@H]3C)cc2)cc1 ZINC001455291613 1066381105 /nfs/dbraw/zinc/38/11/05/1066381105.db2.gz CMIBUVDFPOPOAC-INIZCTEOSA-N 0 0 456.589 4.707 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883233 1066381416 /nfs/dbraw/zinc/38/14/16/1066381416.db2.gz KLUDVWSQQCBZNH-AHRSYUTCSA-N 0 0 468.013 4.643 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2CNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)cc1C ZINC001455291899 1066381722 /nfs/dbraw/zinc/38/17/22/1066381722.db2.gz SORAPDRRLASVRB-UHFFFAOYSA-N 0 0 458.967 4.635 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccsc4[C@H]3C)ccc2C)cc1 ZINC001455293117 1066381830 /nfs/dbraw/zinc/38/18/30/1066381830.db2.gz LRSGWFURRKBLHZ-MRXNPFEDSA-N 0 0 456.589 4.625 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CCN2CCOC[C@@H]2C)c1 ZINC001361126046 1066381852 /nfs/dbraw/zinc/38/18/52/1066381852.db2.gz JPRWYCLEGYNHGG-BJKOFHAPSA-N 0 0 483.701 4.882 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[C@H]43)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361126005 1066382054 /nfs/dbraw/zinc/38/20/54/1066382054.db2.gz ITUFQGJKCGVMQW-TZIWHRDSSA-N 0 0 469.630 4.802 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001361126021 1066382076 /nfs/dbraw/zinc/38/20/76/1066382076.db2.gz JGXBWWZBIKJWLC-CALCHBBNSA-N 0 0 472.684 4.827 20 0 JJADRN O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC001455307780 1066382245 /nfs/dbraw/zinc/38/22/45/1066382245.db2.gz GTZVTVABAXFGRO-HSZRJFAPSA-N 0 0 459.304 4.759 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC2CCC(F)(F)CC2)c1 ZINC001361126078 1066382278 /nfs/dbraw/zinc/38/22/78/1066382278.db2.gz KMGIURJSUDENCH-LJQANCHMSA-N 0 0 489.611 4.781 20 0 JJADRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)c1 ZINC001455314064 1066382742 /nfs/dbraw/zinc/38/27/42/1066382742.db2.gz BMEJWIUKIZXSEO-XMMPIXPASA-N 0 0 452.963 4.759 20 0 JJADRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)c1 ZINC001455314063 1066382837 /nfs/dbraw/zinc/38/28/37/1066382837.db2.gz BMEJWIUKIZXSEO-DEOSSOPVSA-N 0 0 452.963 4.759 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001361126200 1066382866 /nfs/dbraw/zinc/38/28/66/1066382866.db2.gz NKWYMEQLCGTTFT-UHFFFAOYSA-N 0 0 484.670 4.891 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@H](C)N2CCOCC2)c1 ZINC001361126246 1066383038 /nfs/dbraw/zinc/38/30/38/1066383038.db2.gz OZILTCXQUJJYFJ-ZEQRLZLVSA-N 0 0 483.701 4.882 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC001455326315 1066383460 /nfs/dbraw/zinc/38/34/60/1066383460.db2.gz OIFQFSCKJGMOLR-UHFFFAOYSA-N 0 0 458.399 4.547 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=CCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361126465 1066384023 /nfs/dbraw/zinc/38/40/23/1066384023.db2.gz RZFVGBYABWQYAD-HXUWFJFHSA-N 0 0 477.575 4.939 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCn3ccnc3C2)c1 ZINC001361126387 1066384108 /nfs/dbraw/zinc/38/41/08/1066384108.db2.gz RBFBUCDZUHUGSX-QFIPXVFZSA-N 0 0 494.684 4.999 20 0 JJADRN Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CN(C(=O)OC(C)(C)C)C2)cc1C ZINC001455347324 1066384385 /nfs/dbraw/zinc/38/43/85/1066384385.db2.gz KZRWNXUHJYNSAI-UHFFFAOYSA-N 0 0 459.384 4.942 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1 ZINC001443913521 1066384649 /nfs/dbraw/zinc/38/46/49/1066384649.db2.gz IHHPXGQZKBIPGH-IBGZPJMESA-N 0 0 454.633 4.620 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2[C@H]2C[C@H]2C)c1 ZINC001361126499 1066384662 /nfs/dbraw/zinc/38/46/62/1066384662.db2.gz SWYHTHCTINWVBU-OFNKIYASSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001361126484 1066384876 /nfs/dbraw/zinc/38/48/76/1066384876.db2.gz SOVDGJHGGVHEAR-QZTJIDSGSA-N 0 0 454.644 4.979 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)cc1 ZINC001443913186 1066384714 /nfs/dbraw/zinc/38/47/14/1066384714.db2.gz PHDGXFWSNWYEIP-UEQSERJNSA-N 0 0 456.627 4.723 20 0 JJADRN Cn1nccc1C1(O)CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC001455369251 1066384795 /nfs/dbraw/zinc/38/47/95/1066384795.db2.gz DLNARANZLWYFHP-OAQYLSRUSA-N 0 0 459.974 4.556 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCCC(F)(F)C2)c1 ZINC001361126633 1066385469 /nfs/dbraw/zinc/38/54/69/1066385469.db2.gz WTMVKHARAGHGKN-PMACEKPBSA-N 0 0 489.611 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCCc3ccc(F)cc3F)cs2)CC1 ZINC001443921736 1066385665 /nfs/dbraw/zinc/38/56/65/1066385665.db2.gz VCPRBALVNMLXFI-UHFFFAOYSA-N 0 0 451.539 4.508 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1)C(C)C ZINC001443923998 1066385712 /nfs/dbraw/zinc/38/57/12/1066385712.db2.gz GUVXWJZCRDDBNS-GMAHTHKFSA-N 0 0 450.583 4.585 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCC(=O)N(C)C)c1 ZINC001361126649 1066385749 /nfs/dbraw/zinc/38/57/49/1066385749.db2.gz WZNULIJINJLKGM-UHFFFAOYSA-N 0 0 467.658 4.950 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361126658 1066385848 /nfs/dbraw/zinc/38/58/48/1066385848.db2.gz XHJQAJSVGZGANW-IZVMNLJQSA-N 0 0 470.658 4.844 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc21 ZINC001455402537 1066386353 /nfs/dbraw/zinc/38/63/53/1066386353.db2.gz XKGJIILIKGTCPV-AOMKIAJQSA-N 0 0 459.377 4.760 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1sc(-c3ccc(F)c(C)c3)nc1C)C2 ZINC001455399384 1066386367 /nfs/dbraw/zinc/38/63/67/1066386367.db2.gz LSLQNIBPXJZWDQ-UHFFFAOYSA-N 0 0 454.523 4.560 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2ccn(C)n2)c1 ZINC001361126911 1066386282 /nfs/dbraw/zinc/38/62/82/1066386282.db2.gz BSCVXIPRURARMP-SFHVURJKSA-N 0 0 476.547 4.849 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC001443929348 1066386587 /nfs/dbraw/zinc/38/65/87/1066386587.db2.gz BESLVEWGWNRJTG-SFHVURJKSA-N 0 0 455.603 4.797 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Nc4cccnn4)CC3)n2CC(F)(F)F)c1 ZINC001361127128 1066386791 /nfs/dbraw/zinc/38/67/91/1066386791.db2.gz FQJWAUQCQCIBRI-UHFFFAOYSA-N 0 0 489.546 4.722 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC=CO2)c1 ZINC001361127132 1066386886 /nfs/dbraw/zinc/38/68/86/1066386886.db2.gz FSPKDNMLUDITGG-HSZRJFAPSA-N 0 0 495.668 4.676 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001455405402 1066387029 /nfs/dbraw/zinc/38/70/29/1066387029.db2.gz DYDGTPDDTOGNAY-UHFFFAOYSA-N 0 0 450.417 4.601 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CCC(C)C)c1 ZINC001361127151 1066387575 /nfs/dbraw/zinc/38/75/75/1066387575.db2.gz GEQCADIPFCKNAH-OAQYLSRUSA-N 0 0 451.619 4.805 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)OC ZINC001545963369 1066387429 /nfs/dbraw/zinc/38/74/29/1066387429.db2.gz VIFCPRRINZIJKM-OFNKIYASSA-N 0 0 470.658 4.690 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 ZINC001455409880 1066387381 /nfs/dbraw/zinc/38/73/81/1066387381.db2.gz GMXGXFCHSOBZTR-QHCPKHFHSA-N 0 0 452.595 4.941 20 0 JJADRN CCN(C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001443947931 1066387594 /nfs/dbraw/zinc/38/75/94/1066387594.db2.gz OXVDCTXHOHBFPA-UWJYYQICSA-N 0 0 458.400 4.770 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455411933 1066387567 /nfs/dbraw/zinc/38/75/67/1066387567.db2.gz KCWIRAUXWLFPED-QHCPKHFHSA-N 0 0 452.595 4.859 20 0 JJADRN O=C(NCc1ccc(C(F)(F)F)s1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001455416161 1066387919 /nfs/dbraw/zinc/38/79/19/1066387919.db2.gz KJYFZBUSWCIQJH-UHFFFAOYSA-N 0 0 458.458 4.637 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001361127301 1066388014 /nfs/dbraw/zinc/38/80/14/1066388014.db2.gz HFWDRTHAQCNVKR-ISKFKSNPSA-N 0 0 469.674 4.634 20 0 JJADRN C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)c1cccc(F)c1 ZINC001455416944 1066388123 /nfs/dbraw/zinc/38/81/23/1066388123.db2.gz SXKZEZNGNSFSPR-JTSKRJEESA-N 0 0 454.542 4.513 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@H]3C[C@H](C(=O)OC(C)(C)C)C3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001455417950 1066388160 /nfs/dbraw/zinc/38/81/60/1066388160.db2.gz UHSXCJPQRLBGOO-QAQDUYKDSA-N 0 0 452.555 4.739 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001361127385 1066388185 /nfs/dbraw/zinc/38/81/85/1066388185.db2.gz INCQYDGCKAWHQL-LVXARBLLSA-N 0 0 456.631 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC001455419209 1066388421 /nfs/dbraw/zinc/38/84/21/1066388421.db2.gz VTOPVSWJIRBXBA-UHFFFAOYSA-N 0 0 459.974 4.787 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)C1 ZINC001546072539 1066388479 /nfs/dbraw/zinc/38/84/79/1066388479.db2.gz GOYIPLRZFJCQMR-UUOWRZLLSA-N 0 0 492.068 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443967210 1066388630 /nfs/dbraw/zinc/38/86/30/1066388630.db2.gz ANYVFWLKOJEZBX-HKUYNNGSSA-N 0 0 455.521 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443967221 1066388661 /nfs/dbraw/zinc/38/86/61/1066388661.db2.gz ANYVFWLKOJEZBX-PKOBYXMFSA-N 0 0 455.521 4.580 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)Nc1ncc(Cl)s1 ZINC001443964229 1066388679 /nfs/dbraw/zinc/38/86/79/1066388679.db2.gz RMMUVFFYGUSIHB-UHFFFAOYSA-N 0 0 450.745 4.993 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001443964913 1066388722 /nfs/dbraw/zinc/38/87/22/1066388722.db2.gz JJBHCVLOMAKQPV-UHFFFAOYSA-N 0 0 452.555 4.684 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361127535 1066389098 /nfs/dbraw/zinc/38/90/98/1066389098.db2.gz LDYOFPGDNRHWQX-PKTZIBPZSA-N 0 0 495.668 4.723 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCSc1ncnc3sc(C)c(C)c31)CC2 ZINC001455430310 1066389434 /nfs/dbraw/zinc/38/94/34/1066389434.db2.gz BSIICQZEWPFLBB-CQSZACIVSA-N 0 0 457.621 4.953 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)CC2 ZINC001455434455 1066389656 /nfs/dbraw/zinc/38/96/56/1066389656.db2.gz RNHAUMDJNZUKSS-CYBMUJFWSA-N 0 0 456.340 4.616 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)SC)C1 ZINC001546072743 1066390143 /nfs/dbraw/zinc/39/01/43/1066390143.db2.gz JNRODHWPDRAKHA-UZUQRXQVSA-N 0 0 451.681 4.771 20 0 JJADRN CCCCCN(CC(=O)NCc1ncccn1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001455440423 1066390257 /nfs/dbraw/zinc/39/02/57/1066390257.db2.gz JRXDMXXDOSXTIQ-UHFFFAOYSA-N 0 0 458.562 4.534 20 0 JJADRN COc1cc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2nccc(OC)c2c1 ZINC001455443674 1066390686 /nfs/dbraw/zinc/39/06/86/1066390686.db2.gz IVIWAISIHZLKDJ-IRXDYDNUSA-N 0 0 457.571 4.864 20 0 JJADRN COc1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC001443987400 1066390641 /nfs/dbraw/zinc/39/06/41/1066390641.db2.gz ARRIXPPBUMDHFR-BGOLNKOXSA-N 0 0 457.979 4.777 20 0 JJADRN COc1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC001443987407 1066390722 /nfs/dbraw/zinc/39/07/22/1066390722.db2.gz ARRIXPPBUMDHFR-ROTAYESASA-N 0 0 457.979 4.777 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(Br)c(F)cc1F)c1ccccc1 ZINC001443986186 1066390788 /nfs/dbraw/zinc/39/07/88/1066390788.db2.gz CJXMMCTYIKFOSX-QGZVFWFLSA-N 0 0 455.299 4.723 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2CCCO2)c1 ZINC001361128173 1066391061 /nfs/dbraw/zinc/39/10/61/1066391061.db2.gz UWIRAQJCZZENQZ-YADHBBJMSA-N 0 0 456.631 4.719 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2nc(C)no2)CC1)OC ZINC001545963547 1066391888 /nfs/dbraw/zinc/39/18/88/1066391888.db2.gz YCVRJDSLKPCWIL-NRFANRHFSA-N 0 0 452.603 4.743 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccncc1Br ZINC001455456388 1066392330 /nfs/dbraw/zinc/39/23/30/1066392330.db2.gz IBIVTCBRWGYBSX-GFCCVEGCSA-N 0 0 450.789 4.965 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001361128546 1066392365 /nfs/dbraw/zinc/39/23/65/1066392365.db2.gz YYDGUAHIVYSXDF-JOCHJYFZSA-N 0 0 488.698 4.881 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@H](C(C)C)C2)n[nH]1 ZINC001361128568 1066392691 /nfs/dbraw/zinc/39/26/91/1066392691.db2.gz ZMODLQDIKUIIKF-NRFANRHFSA-N 0 0 465.646 4.831 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001455456863 1066392810 /nfs/dbraw/zinc/39/28/10/1066392810.db2.gz XSNSJXMRAVBXPS-SBUREZEXSA-N 0 0 454.364 4.957 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460469 1066393250 /nfs/dbraw/zinc/39/32/50/1066393250.db2.gz BTYZANJYMRXSEG-JWQCQUIFSA-N 0 0 453.602 4.574 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC001361129204 1066393534 /nfs/dbraw/zinc/39/35/34/1066393534.db2.gz RLXHQCKKPFVSAO-XZOQPEGZSA-N 0 0 450.608 4.780 20 0 JJADRN Cc1noc([C@@H](C)N2CCN(c3nnc(COc4cc(C)ccc4C(C)C)n3CCC(C)C)CC2)n1 ZINC001361129763 1066393841 /nfs/dbraw/zinc/39/38/41/1066393841.db2.gz DBNODSHFAUQIPE-OAQYLSRUSA-N 0 0 495.672 4.910 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3ccc(I)cc3O)cc2)c1 ZINC001444005050 1066394018 /nfs/dbraw/zinc/39/40/18/1066394018.db2.gz XNBHEDBJJJEVAN-UHFFFAOYSA-N 0 0 459.283 4.602 20 0 JJADRN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2ccc(C)c(-c3ccsc3)c2)CCCC1 ZINC001455462311 1066393947 /nfs/dbraw/zinc/39/39/47/1066393947.db2.gz HYGFMTMUQKNONU-UHFFFAOYSA-N 0 0 459.593 4.558 20 0 JJADRN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)[nH]n1 ZINC001455463351 1066394050 /nfs/dbraw/zinc/39/40/50/1066394050.db2.gz HZTZHCKTAJXWMR-TZIWHRDSSA-N 0 0 452.599 4.774 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCC(C)C)c1 ZINC001361129842 1066394078 /nfs/dbraw/zinc/39/40/78/1066394078.db2.gz FNKUQDWREBIOLN-QFQXNSOFSA-N 0 0 456.631 4.719 20 0 JJADRN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)[nH]n1 ZINC001455463346 1066394190 /nfs/dbraw/zinc/39/41/90/1066394190.db2.gz HZTZHCKTAJXWMR-FPOVZHCZSA-N 0 0 452.599 4.774 20 0 JJADRN Cc1c2ccccc2oc1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001444012721 1066394361 /nfs/dbraw/zinc/39/43/61/1066394361.db2.gz BVKCUVZVNCJUEN-UHFFFAOYSA-N 0 0 452.507 4.540 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C(F)(F)F)C2)s1 ZINC001361130051 1066394446 /nfs/dbraw/zinc/39/44/46/1066394446.db2.gz HRMYWOSDQSQHDG-FQEVSTJZSA-N 0 0 495.571 4.870 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001361129952 1066394462 /nfs/dbraw/zinc/39/44/62/1066394462.db2.gz HRXMFGJISVLZRF-QFIPXVFZSA-N 0 0 453.945 4.946 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1OC ZINC001361129943 1066394558 /nfs/dbraw/zinc/39/45/58/1066394558.db2.gz HJDDPCUAPKAOIC-GOSISDBHSA-N 0 0 454.567 4.666 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001455464824 1066394696 /nfs/dbraw/zinc/39/46/96/1066394696.db2.gz MKVTZOOXBXUWQA-QFIPXVFZSA-N 0 0 454.521 4.633 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001455465979 1066394721 /nfs/dbraw/zinc/39/47/21/1066394721.db2.gz XEWAUNKQZHFHDX-UHFFFAOYSA-N 0 0 459.377 4.934 20 0 JJADRN COCCCOc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)c1C ZINC001361129949 1066394607 /nfs/dbraw/zinc/39/46/07/1066394607.db2.gz HRAYTGVQMSNQGX-UHFFFAOYSA-N 0 0 454.567 4.808 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC001455469658 1066395266 /nfs/dbraw/zinc/39/52/66/1066395266.db2.gz WFQAEYWDMXHHJB-QFIPXVFZSA-N 0 0 457.546 4.909 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@](C)(C(F)(F)F)C2)c(OC)c1 ZINC001455471693 1066395475 /nfs/dbraw/zinc/39/54/75/1066395475.db2.gz PKVWRLWZBAJUMJ-HSZRJFAPSA-N 0 0 459.468 4.971 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3Cc4ccccc4[C@@H](C)C3)ccc2C)cc1 ZINC001455472288 1066395530 /nfs/dbraw/zinc/39/55/30/1066395530.db2.gz QPWLAEDPAYNGMP-SFHVURJKSA-N 0 0 450.560 4.564 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ccco2)c1 ZINC001361130470 1066395557 /nfs/dbraw/zinc/39/55/57/1066395557.db2.gz NMLWTSFGPAKDQT-UHFFFAOYSA-N 0 0 477.531 4.615 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccc(O)cc2)C1 ZINC001546073082 1066395704 /nfs/dbraw/zinc/39/57/04/1066395704.db2.gz OMAMZXYWJYDIAT-HHHXNRCGSA-N 0 0 483.657 4.967 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001361130390 1066395813 /nfs/dbraw/zinc/39/58/13/1066395813.db2.gz PMZSBZHNEJQAQE-UHFFFAOYSA-N 0 0 455.530 4.774 20 0 JJADRN CN(C(=O)c1ccc2ccc(Br)cc2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001361130372 1066395827 /nfs/dbraw/zinc/39/58/27/1066395827.db2.gz OZPVACZAIPOVKQ-UHFFFAOYSA-N 0 0 451.364 4.979 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)cc1 ZINC001444025843 1066396065 /nfs/dbraw/zinc/39/60/65/1066396065.db2.gz LOMBWTWXQGQSJM-KBJGYGKASA-N 0 0 458.967 4.539 20 0 JJADRN C[C@@H]1C[C@H]1[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)cc1 ZINC001444025870 1066396126 /nfs/dbraw/zinc/39/61/26/1066396126.db2.gz LOMBWTWXQGQSJM-UJUVCNOISA-N 0 0 458.967 4.539 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3nc4cc(Cl)ccc4[nH]3)ccc2C)c1 ZINC001455481857 1066396366 /nfs/dbraw/zinc/39/63/66/1066396366.db2.gz SHSUXKLWVPPVHT-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)CC[C@H](O)c3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC001444033443 1066396568 /nfs/dbraw/zinc/39/65/68/1066396568.db2.gz NATMXYQBWZCSGS-QHCPKHFHSA-N 0 0 457.684 4.845 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001455482239 1066396567 /nfs/dbraw/zinc/39/65/67/1066396567.db2.gz PHCGQKOGVZCJGE-VGOFRKELSA-N 0 0 456.464 4.804 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1 ZINC001444036606 1066396863 /nfs/dbraw/zinc/39/68/63/1066396863.db2.gz XOFKCZWFNUGYOD-XWRIVVANSA-N 0 0 456.999 4.799 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361130971 1066397319 /nfs/dbraw/zinc/39/73/19/1066397319.db2.gz UIMHGKLLJCHGFP-QHCPKHFHSA-N 0 0 497.615 4.502 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC2(O)CCC2)c1 ZINC001361131075 1066397801 /nfs/dbraw/zinc/39/78/01/1066397801.db2.gz XRRCFAOQRUBEIY-HSZRJFAPSA-N 0 0 470.658 4.845 20 0 JJADRN CC[C@H](C)CN(C)C(=O)c1sccc1NC(=O)c1ccccc1I ZINC001444057307 1066398002 /nfs/dbraw/zinc/39/80/02/1066398002.db2.gz OKQUEBTZSCKIPR-LBPRGKRZSA-N 0 0 456.349 4.723 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001455498943 1066398096 /nfs/dbraw/zinc/39/80/96/1066398096.db2.gz CCZIKKRPLNZDRV-LBEPJEHYSA-N 0 0 458.327 4.947 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)s1 ZINC001455495954 1066398166 /nfs/dbraw/zinc/39/81/66/1066398166.db2.gz BPTLBWFCHVQAAM-YVSFHVDLSA-N 0 0 453.674 4.961 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1Cl)c1cnccn1 ZINC001444059534 1066398237 /nfs/dbraw/zinc/39/82/37/1066398237.db2.gz PQVBESWNKSNIIO-UHFFFAOYSA-N 0 0 454.273 4.542 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3ccn(C)n3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361131155 1066398516 /nfs/dbraw/zinc/39/85/16/1066398516.db2.gz AFKTUSTWXKBNKS-UHFFFAOYSA-N 0 0 468.512 4.542 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@H]2N(C(=O)OCc3ccccc3)CC2(C)C)c1 ZINC001444061919 1066398510 /nfs/dbraw/zinc/39/85/10/1066398510.db2.gz BCKGOTOXXHVDLA-KTBRYMIGSA-N 0 0 456.608 4.720 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)C2=O)cc1 ZINC001455500440 1066398751 /nfs/dbraw/zinc/39/87/51/1066398751.db2.gz CWWCBAOXTPWBCB-JOCHJYFZSA-N 0 0 459.631 4.706 20 0 JJADRN NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC001444066852 1066398725 /nfs/dbraw/zinc/39/87/25/1066398725.db2.gz IRQAPTONSUFEMD-UHFFFAOYSA-N 0 0 452.913 4.931 20 0 JJADRN CCC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC001444068410 1066398791 /nfs/dbraw/zinc/39/87/91/1066398791.db2.gz UZQJQUQOFCVZBT-AOYPEHQESA-N 0 0 450.579 4.837 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001444067019 1066398845 /nfs/dbraw/zinc/39/88/45/1066398845.db2.gz VNSUVKPALGSJHU-OAQYLSRUSA-N 0 0 451.523 4.895 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1F ZINC001444066786 1066398898 /nfs/dbraw/zinc/39/88/98/1066398898.db2.gz XNGPDIOPFDFREI-UHFFFAOYSA-N 0 0 456.514 4.963 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc21 ZINC001444067230 1066399033 /nfs/dbraw/zinc/39/90/33/1066399033.db2.gz JXQSLHPIEHLTIG-VWLOTQADSA-N 0 0 450.579 4.811 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CCCC(C)C)c1 ZINC001361131245 1066398960 /nfs/dbraw/zinc/39/89/60/1066398960.db2.gz CGOIIVOZVZPEJH-JTHBVZDNSA-N 0 0 467.658 4.782 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC[C@@H]2COCCO2)c1 ZINC001361131253 1066399035 /nfs/dbraw/zinc/39/90/35/1066399035.db2.gz CNXGKYDFMCPRCQ-QHAWAJNXSA-N 0 0 492.611 4.822 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)[C@H]1c1ccccc1 ZINC001444070692 1066399531 /nfs/dbraw/zinc/39/95/31/1066399531.db2.gz PIKOSEDMABXYRB-FZKQIMNGSA-N 0 0 454.470 4.822 20 0 JJADRN O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)c1cc(-c2ccc(Cl)s2)on1 ZINC001455507723 1066399557 /nfs/dbraw/zinc/39/95/57/1066399557.db2.gz ZCOSPCQAGDJORB-HEHXSTRBSA-N 0 0 453.745 4.599 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC001361131573 1066399566 /nfs/dbraw/zinc/39/95/66/1066399566.db2.gz LBODOIQPFRQKSD-KNKQGSTJSA-N 0 0 467.639 4.556 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCCO2)C1 ZINC001546073302 1066399668 /nfs/dbraw/zinc/39/96/68/1066399668.db2.gz QYBBCCAQGARLHT-NBGIEHNGSA-N 0 0 461.651 4.588 20 0 JJADRN COc1ccc(C[C@@](C)(CO)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC ZINC001455506912 1066399677 /nfs/dbraw/zinc/39/96/77/1066399677.db2.gz JTXQTKBAMDDLFR-VWLOTQADSA-N 0 0 455.938 4.873 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 ZINC001361131704 1066399929 /nfs/dbraw/zinc/39/99/29/1066399929.db2.gz OEVGPVCNPROQCJ-OAQYLSRUSA-N 0 0 485.698 4.535 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2CC(C)(C)O)c1 ZINC001361131667 1066400150 /nfs/dbraw/zinc/40/01/50/1066400150.db2.gz NPHMNLDAIZZVIA-LJQANCHMSA-N 0 0 460.529 4.580 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)/C=C(\C)c3ccccc3C)c2)cc1 ZINC001444081079 1066400760 /nfs/dbraw/zinc/40/07/60/1066400760.db2.gz NJADWBBLBFAVNW-XDJHFCHBSA-N 0 0 450.560 4.524 20 0 JJADRN C[C@@H]1CCc2[nH]nc(C(=O)N3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001455510108 1066401485 /nfs/dbraw/zinc/40/14/85/1066401485.db2.gz MQVBDFBQBBIXFW-HMFYCAOWSA-N 0 0 458.647 4.860 20 0 JJADRN Cn1c(CCNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 ZINC001444083212 1066401641 /nfs/dbraw/zinc/40/16/41/1066401641.db2.gz TZFNDTMNJQTXKV-AREMUKBSSA-N 0 0 457.574 4.571 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(F)(F)F)CC2)cc1 ZINC001361132244 1066402187 /nfs/dbraw/zinc/40/21/87/1066402187.db2.gz WVRXPVLAKXNQEM-KRWDZBQOSA-N 0 0 472.515 4.816 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2cnn(C)c2)c1 ZINC001361132228 1066402305 /nfs/dbraw/zinc/40/23/05/1066402305.db2.gz WNSGMPMKSZFTQD-KDURUIRLSA-N 0 0 472.584 4.798 20 0 JJADRN COc1ccc(C[C@](C)(CO)NC(=O)c2ccc(-c3cccc4cccnc43)cc2)cc1OC ZINC001455513920 1066402320 /nfs/dbraw/zinc/40/23/20/1066402320.db2.gz WYSGANKWPZOXRH-MUUNZHRXSA-N 0 0 456.542 4.643 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2N)C1)C1CCCC1 ZINC001455512091 1066402398 /nfs/dbraw/zinc/40/23/98/1066402398.db2.gz UGMYYIIAFRSJJY-YWZLYKJASA-N 0 0 451.558 4.873 20 0 JJADRN CSC1(CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CCOCC1 ZINC001361133040 1066403742 /nfs/dbraw/zinc/40/37/42/1066403742.db2.gz FXVJIRNEMISTOL-LJQANCHMSA-N 0 0 450.398 4.598 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455521975 1066403746 /nfs/dbraw/zinc/40/37/46/1066403746.db2.gz MEERIOQUFIBNIB-UGKGYDQZSA-N 0 0 456.631 4.508 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Cl)ccc3I)C2)cc1 ZINC001361132806 1066403959 /nfs/dbraw/zinc/40/39/59/1066403959.db2.gz BXOWDNYMHVXHLA-OAHLLOKOSA-N 0 0 454.739 4.652 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545964285 1066404693 /nfs/dbraw/zinc/40/46/93/1066404693.db2.gz AXTZEUKWQXTWMS-YQQAZPJKSA-N 0 0 481.066 4.627 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C4N=NC(=S)N4C(C)C)C3)c(F)c2)cc1 ZINC001444095253 1066405600 /nfs/dbraw/zinc/40/56/00/1066405600.db2.gz UAQGQZNUCGQMGG-GOSISDBHSA-N 0 0 454.571 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC001444095672 1066405667 /nfs/dbraw/zinc/40/56/67/1066405667.db2.gz ASHPAKMUXRWHJI-QTYPKTMWSA-N 0 0 456.608 4.970 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001455533180 1066405734 /nfs/dbraw/zinc/40/57/34/1066405734.db2.gz QVHBTGLBHROEOH-QXATTWAWSA-N 0 0 456.505 4.769 20 0 JJADRN Cc1nc(CCC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)oc1-c1ccccc1 ZINC001455532514 1066405831 /nfs/dbraw/zinc/40/58/31/1066405831.db2.gz MOCPFPZPSQXVKT-FQRUVTKNSA-N 0 0 453.583 4.879 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001444101452 1066406266 /nfs/dbraw/zinc/40/62/66/1066406266.db2.gz PNJPZXRWENRKNT-JCOAXYOVSA-N 0 0 453.526 4.829 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1 ZINC001444097013 1066406333 /nfs/dbraw/zinc/40/63/33/1066406333.db2.gz ZHKGUIKCPXYARE-NRFANRHFSA-N 0 0 450.608 4.660 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001444096257 1066406438 /nfs/dbraw/zinc/40/64/38/1066406438.db2.gz CMIHSNCPJLAOHJ-WTPASJBYSA-N 0 0 458.571 4.755 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134595 1066406498 /nfs/dbraw/zinc/40/64/98/1066406498.db2.gz FLOQIVMCOLHMHY-RZUBCFFCSA-N 0 0 469.630 4.593 20 0 JJADRN Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001444102280 1066406779 /nfs/dbraw/zinc/40/67/79/1066406779.db2.gz KFBBZTYCTXRXIB-UHFFFAOYSA-N 0 0 450.558 4.627 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001444107687 1066407683 /nfs/dbraw/zinc/40/76/83/1066407683.db2.gz AKHMAZUQDUCNIS-UVDDSOTQSA-N 0 0 451.569 4.654 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)OCC(C)C)CC1)OC ZINC001545964479 1066407802 /nfs/dbraw/zinc/40/78/02/1066407802.db2.gz FEUNLODVYUSOOO-SFHVURJKSA-N 0 0 498.455 4.982 20 0 JJADRN Cc1cc(C)c(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1Br ZINC001455538275 1066407707 /nfs/dbraw/zinc/40/77/07/1066407707.db2.gz OKBFSSXEBOPBRW-XMSQKQJNSA-N 0 0 451.405 4.975 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001361134927 1066407743 /nfs/dbraw/zinc/40/77/43/1066407743.db2.gz OGAAAWKGCKQVJO-DOTOQJQBSA-N 0 0 488.455 4.583 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001361135087 1066408706 /nfs/dbraw/zinc/40/87/06/1066408706.db2.gz PDOUZOFLYHLBED-HSZRJFAPSA-N 0 0 467.702 4.918 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)ccc1OCc1ccccc1Cl ZINC001455543723 1066408629 /nfs/dbraw/zinc/40/86/29/1066408629.db2.gz LOAJUEXLWOALKR-QGZVFWFLSA-N 0 0 456.892 4.684 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001444120151 1066408755 /nfs/dbraw/zinc/40/87/55/1066408755.db2.gz QCAZVXODIHHSHV-CZTZKLFOSA-N 0 0 458.599 4.826 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)cc1O)c1cc(Cl)cc(Cl)c1F ZINC001455543421 1066408885 /nfs/dbraw/zinc/40/88/85/1066408885.db2.gz CCVDIZDEFXTKMI-SSDOTTSWSA-N 0 0 454.066 4.934 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361135310 1066409299 /nfs/dbraw/zinc/40/92/99/1066409299.db2.gz RCZURYRLVGTBFB-SFHVURJKSA-N 0 0 483.542 4.765 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccccc2C)N2CCOCC2)o1 ZINC001361135368 1066409351 /nfs/dbraw/zinc/40/93/51/1066409351.db2.gz MMVIYHNAKFNNBJ-GGAORHGYSA-N 0 0 451.615 4.882 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1)OCC3 ZINC001455545544 1066409574 /nfs/dbraw/zinc/40/95/74/1066409574.db2.gz NDTKCOWIGTVDCD-QUZZAMIASA-N 0 0 452.517 4.915 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)OCC3 ZINC001455545520 1066409624 /nfs/dbraw/zinc/40/96/24/1066409624.db2.gz NDTKCOWIGTVDCD-NVVBAYIOSA-N 0 0 452.517 4.915 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001444128093 1066410366 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JANSXZFRRAPGTI-MRXNPFEDSA-N 0 0 460.966 4.526 20 0 JJADRN COc1ccc(C2(CNC(=O)c3csc(Nc4ccccn4)n3)CCCCC2)cc1OC ZINC001444134293 1066411851 /nfs/dbraw/zinc/41/18/51/1066411851.db2.gz HPIJVEOWKXROSS-UHFFFAOYSA-N 0 0 452.580 4.931 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCO[C@H](C)C2)cc1 ZINC001361136837 1066411901 /nfs/dbraw/zinc/41/19/01/1066411901.db2.gz UXKVQSQZBRVDML-PRTQVNTJSA-N 0 0 483.657 4.776 20 0 JJADRN CN(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001361137544 1066413004 /nfs/dbraw/zinc/41/30/04/1066413004.db2.gz GONUNGHPGAAZQL-UHFFFAOYSA-N 0 0 455.986 4.823 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C3OCCO3)cc2)cc1 ZINC001361137607 1066413086 /nfs/dbraw/zinc/41/30/86/1066413086.db2.gz DODNSCYRJSOEIW-UHFFFAOYSA-N 0 0 453.516 4.570 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001361137543 1066413117 /nfs/dbraw/zinc/41/31/17/1066413117.db2.gz GMUNFQIPQQDTJQ-UHFFFAOYSA-N 0 0 455.708 4.644 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCSC[C@@H]3c3ccccc3)c2)cc1 ZINC001444138561 1066413195 /nfs/dbraw/zinc/41/31/95/1066413195.db2.gz PGLRFGMTPXMIJA-HSZRJFAPSA-N 0 0 452.601 4.726 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545964803 1066413208 /nfs/dbraw/zinc/41/32/08/1066413208.db2.gz KKFFNLKECUXUNM-TZIWHRDSSA-N 0 0 483.016 4.582 20 0 JJADRN CC(C)Oc1cc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)ccc1Br ZINC001361137676 1066413155 /nfs/dbraw/zinc/41/31/55/1066413155.db2.gz HQFJYHWZODWOPR-UHFFFAOYSA-N 0 0 459.384 4.613 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001444138443 1066413288 /nfs/dbraw/zinc/41/32/88/1066413288.db2.gz OWOIRPBPLXUJEL-NRFANRHFSA-N 0 0 455.555 4.834 20 0 JJADRN CC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)c1ccc(Cl)s1 ZINC001444139321 1066413956 /nfs/dbraw/zinc/41/39/56/1066413956.db2.gz LKDZNZMFAWEYOK-KRWDZBQOSA-N 0 0 452.985 4.663 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N1CC[C@H](c2ccco2)C1 ZINC001444139560 1066413985 /nfs/dbraw/zinc/41/39/85/1066413985.db2.gz ALIVYIIHDSSJTL-SFHVURJKSA-N 0 0 453.336 4.853 20 0 JJADRN Cc1ccc(Oc2cc(Cl)ccc2CN(C)C(=O)CNc2ccccc2C(N)=O)c(C)c1 ZINC001455587369 1066414075 /nfs/dbraw/zinc/41/40/75/1066414075.db2.gz XLGJYOIOHRGTFU-UHFFFAOYSA-N 0 0 451.954 4.919 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC001545964880 1066414680 /nfs/dbraw/zinc/41/46/80/1066414680.db2.gz LTAPDZZLEOODNN-VQTJNVASSA-N 0 0 481.044 4.880 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)(c2ccccc2)C1 ZINC001455606588 1066414726 /nfs/dbraw/zinc/41/47/26/1066414726.db2.gz ONSFEFMTICHKDK-WXTAPIANSA-N 0 0 456.533 4.860 20 0 JJADRN COc1cccc2[nH]cc(CCNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)c21 ZINC001455600783 1066414739 /nfs/dbraw/zinc/41/47/39/1066414739.db2.gz YEPTYYFQFVRXLH-FGZHOGPDSA-N 0 0 477.605 4.561 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@@H](C)c3cc4ccccc4o3)c2)cc1 ZINC001444143837 1066416207 /nfs/dbraw/zinc/41/62/07/1066416207.db2.gz CJJMWRLWRPNFEC-SFHVURJKSA-N 0 0 458.514 4.992 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001455620853 1066416260 /nfs/dbraw/zinc/41/62/60/1066416260.db2.gz ZQCAJHFGZCQYGJ-QGZVFWFLSA-N 0 0 457.502 4.770 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)CC[C@H]3CCc4ccccc43)c2)cc1 ZINC001444144346 1066417032 /nfs/dbraw/zinc/41/70/32/1066417032.db2.gz DGSPZMXDKDCOCY-OAQYLSRUSA-N 0 0 458.558 4.953 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cccnc2-c2csc(C)c2)cc1 ZINC001455631288 1066417369 /nfs/dbraw/zinc/41/73/69/1066417369.db2.gz RVSDKLZAMIKFDV-UHFFFAOYSA-N 0 0 451.577 4.703 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965120 1066417868 /nfs/dbraw/zinc/41/78/68/1066417868.db2.gz QHGOXJQNBMJHKQ-GDBMZVCRSA-N 0 0 484.428 4.780 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC001455634255 1066418216 /nfs/dbraw/zinc/41/82/16/1066418216.db2.gz KWZKRKHWIZQWKG-UHFFFAOYSA-N 0 0 452.334 4.752 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001455635171 1066418290 /nfs/dbraw/zinc/41/82/90/1066418290.db2.gz PDCISJBNQRKITD-UHFFFAOYSA-N 0 0 454.910 4.743 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3csc4c3CCCC4)c2)cc1 ZINC001444148816 1066418680 /nfs/dbraw/zinc/41/86/80/1066418680.db2.gz OMPJXYKKCXVWQN-UHFFFAOYSA-N 0 0 450.560 4.697 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3ccc(F)c(SC)c3)c2)cc1 ZINC001444151003 1066418721 /nfs/dbraw/zinc/41/87/21/1066418721.db2.gz SKFBDUQQCLXUMR-UHFFFAOYSA-N 0 0 454.523 4.617 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001444152596 1066419229 /nfs/dbraw/zinc/41/92/29/1066419229.db2.gz URSPUYVTNLWCGH-UHFFFAOYSA-N 0 0 458.436 4.775 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2c(O)cnc3c(Br)cccc32)cc1 ZINC001455649664 1066419598 /nfs/dbraw/zinc/41/95/98/1066419598.db2.gz CQUOQAQBORWOFW-UHFFFAOYSA-N 0 0 451.324 4.592 20 0 JJADRN Cc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC(F)(F)F)N2CCOCC2)cc1 ZINC001361141244 1066419956 /nfs/dbraw/zinc/41/99/56/1066419956.db2.gz LRTSZAGFJMNLRM-NRFANRHFSA-N 0 0 493.599 4.701 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001455651228 1066420172 /nfs/dbraw/zinc/42/01/72/1066420172.db2.gz WNCCAUKNLDXXBN-SFHLNBCPSA-N 0 0 467.610 4.854 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC001455651647 1066420332 /nfs/dbraw/zinc/42/03/32/1066420332.db2.gz KHXVJAAJCWYYSP-IBGZPJMESA-N 0 0 457.361 4.622 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1CC ZINC001455651444 1066420382 /nfs/dbraw/zinc/42/03/82/1066420382.db2.gz KGYGJMNQQBFHOD-YEJXKQKISA-N 0 0 472.344 4.506 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H](c4ncc(Br)cn4)C3)o2)cc1 ZINC001455665373 1066420857 /nfs/dbraw/zinc/42/08/57/1066420857.db2.gz NUZAAFCVARCFSL-KRWDZBQOSA-N 0 0 454.324 4.722 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cn(-c4ccc(Br)cc4)nc3C)CCC2)cc1 ZINC001546074757 1066420892 /nfs/dbraw/zinc/42/08/92/1066420892.db2.gz ZKAVJJJGMGCEIF-UHFFFAOYSA-N 0 0 454.368 4.804 20 0 JJADRN O=C(/C=C\c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001455660096 1066421005 /nfs/dbraw/zinc/42/10/05/1066421005.db2.gz CVHVKIOMIUHUKK-RXQFDZFGSA-N 0 0 456.384 4.980 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1CC ZINC001455652155 1066421037 /nfs/dbraw/zinc/42/10/37/1066421037.db2.gz SOUMOARVNUSHMR-KHJUTWJGSA-N 0 0 468.978 4.757 20 0 JJADRN CCOC(=O)Cc1csc(CNC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)n1 ZINC001455662259 1066421063 /nfs/dbraw/zinc/42/10/63/1066421063.db2.gz QACPBFBLADJJQY-JOCHJYFZSA-N 0 0 458.967 4.647 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCc2ccccc2)CC1)OC ZINC001545965378 1066421760 /nfs/dbraw/zinc/42/17/60/1066421760.db2.gz WSWAZHCFSPQBNI-FQEVSTJZSA-N 0 0 455.990 4.604 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)cc1 ZINC001455670421 1066422398 /nfs/dbraw/zinc/42/23/98/1066422398.db2.gz VMGAXNWUISELLM-CQSZACIVSA-N 0 0 458.385 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC001444162181 1066422369 /nfs/dbraw/zinc/42/23/69/1066422369.db2.gz BDCLTFIVXSUKFU-UHFFFAOYSA-N 0 0 453.564 4.666 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC001444162259 1066422383 /nfs/dbraw/zinc/42/23/83/1066422383.db2.gz ZUKPXSQBMWQMNV-UHFFFAOYSA-N 0 0 459.413 4.870 20 0 JJADRN CCCn1ncc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c1C ZINC001444163692 1066422397 /nfs/dbraw/zinc/42/23/97/1066422397.db2.gz GYOTWLWGZLTMTE-UHFFFAOYSA-N 0 0 455.356 4.546 20 0 JJADRN CCOC[C@H]1CCCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001444162491 1066422437 /nfs/dbraw/zinc/42/24/37/1066422437.db2.gz DQQXGIXGABXVON-NRFANRHFSA-N 0 0 458.624 4.610 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001361142055 1066422531 /nfs/dbraw/zinc/42/25/31/1066422531.db2.gz UNOLQZCLSHKAIM-NRFANRHFSA-N 0 0 484.689 4.774 20 0 JJADRN O=C(N1CCC[C@@H](c2ncc(Br)cn2)C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001455670761 1066422463 /nfs/dbraw/zinc/42/24/63/1066422463.db2.gz XTHFGNDNWMUONG-CYBMUJFWSA-N 0 0 454.290 4.696 20 0 JJADRN Cc1cccc(-c2noc(CC3CCN(C(=O)CSCc4ccc(Cl)cc4)CC3)n2)n1 ZINC001455673260 1066422511 /nfs/dbraw/zinc/42/25/11/1066422511.db2.gz DVXTZSJTFBAFCZ-UHFFFAOYSA-N 0 0 456.999 4.808 20 0 JJADRN CC(C)c1nc(CCNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n(C)n1 ZINC001455670762 1066422553 /nfs/dbraw/zinc/42/25/53/1066422553.db2.gz FESBTEILWPWKEL-UHFFFAOYSA-N 0 0 452.942 4.890 20 0 JJADRN CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001444162512 1066422612 /nfs/dbraw/zinc/42/26/12/1066422612.db2.gz DQQXGIXGABXVON-OAQYLSRUSA-N 0 0 458.624 4.610 20 0 JJADRN Cc1cccc(-c2noc(CC3CCN(C(=O)COc4cc(C)c(Cl)c(C)c4)CC3)n2)n1 ZINC001455674927 1066423374 /nfs/dbraw/zinc/42/33/74/1066423374.db2.gz JIVVEFLVAOFQNG-UHFFFAOYSA-N 0 0 454.958 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001444165091 1066423705 /nfs/dbraw/zinc/42/37/05/1066423705.db2.gz MYYBPYSIJQZRKO-IBGZPJMESA-N 0 0 450.457 4.671 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001455690942 1066424278 /nfs/dbraw/zinc/42/42/78/1066424278.db2.gz YEVWBHBGFVUXJX-GFCCVEGCSA-N 0 0 451.379 4.788 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2OCCOC)C1 ZINC001546075034 1066424354 /nfs/dbraw/zinc/42/43/54/1066424354.db2.gz GDKQSVXZCHEWJF-VWLOTQADSA-N 0 0 454.640 4.939 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001444169877 1066424787 /nfs/dbraw/zinc/42/47/87/1066424787.db2.gz FSAOJCNEBKGGIL-AWEZNQCLSA-N 0 0 455.584 4.998 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)CC2=O)ccc1Br ZINC001361143309 1066424817 /nfs/dbraw/zinc/42/48/17/1066424817.db2.gz PHTYEZFOICBNTB-YFVAEKQCSA-N 0 0 455.396 4.763 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455713445 1066425556 /nfs/dbraw/zinc/42/55/56/1066425556.db2.gz BQNHNZFUHQLWHE-MEDUHNTESA-N 0 0 452.349 4.629 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455713446 1066425562 /nfs/dbraw/zinc/42/55/62/1066425562.db2.gz BQNHNZFUHQLWHE-ZBEGNZNMSA-N 0 0 452.349 4.629 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2c(C)cc(Br)cc2Cl)cc1 ZINC001444173303 1066425685 /nfs/dbraw/zinc/42/56/85/1066425685.db2.gz JZHQTPBIIFAXME-UHFFFAOYSA-N 0 0 454.748 4.673 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC001455714220 1066426157 /nfs/dbraw/zinc/42/61/57/1066426157.db2.gz BEIKHXLBATWSNK-WMZHIEFXSA-N 0 0 450.362 4.970 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC001546075296 1066426205 /nfs/dbraw/zinc/42/62/05/1066426205.db2.gz LNFFTHBQVJJXIK-DCFHFQCYSA-N 0 0 463.626 4.786 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCCCC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361144268 1066426281 /nfs/dbraw/zinc/42/62/81/1066426281.db2.gz GALNZCDFPGJDNH-UHFFFAOYSA-N 0 0 453.553 4.737 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361144141 1066426310 /nfs/dbraw/zinc/42/63/10/1066426310.db2.gz CWILBAMUCYGTQN-KBMIEXCESA-N 0 0 450.539 4.765 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CCOCC1 ZINC001361144891 1066427385 /nfs/dbraw/zinc/42/73/85/1066427385.db2.gz UASXPMNHYZHYAY-UHFFFAOYSA-N 0 0 452.482 4.855 20 0 JJADRN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001361145024 1066427405 /nfs/dbraw/zinc/42/74/05/1066427405.db2.gz WRVMGMPFTMFMFN-SFTDATJTSA-N 0 0 459.384 4.688 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)c1ccnc(Cl)c1Br)CC2 ZINC001455724539 1066427422 /nfs/dbraw/zinc/42/74/22/1066427422.db2.gz QYVQUQJVBKGIAL-GOSISDBHSA-N 0 0 451.748 4.664 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCC1)NC(=O)OC(C)(C)C ZINC001545965521 1066427622 /nfs/dbraw/zinc/42/76/22/1066427622.db2.gz YWZVXDFOTQRLBF-MRXNPFEDSA-N 0 0 464.010 4.899 20 0 JJADRN Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)C2)n1 ZINC001455757562 1066427917 /nfs/dbraw/zinc/42/79/17/1066427917.db2.gz FRPXGVYEKAHRHE-HNNXBMFYSA-N 0 0 459.333 4.598 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001455769500 1066428995 /nfs/dbraw/zinc/42/89/95/1066428995.db2.gz KMEFASOYADVXPD-UHFFFAOYSA-N 0 0 455.388 4.759 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001455766829 1066429113 /nfs/dbraw/zinc/42/91/13/1066429113.db2.gz ORWXEPAXKLMOEP-MRXNPFEDSA-N 0 0 456.365 4.623 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001361145790 1066429532 /nfs/dbraw/zinc/42/95/32/1066429532.db2.gz JITYYIKELMNMDY-INIZCTEOSA-N 0 0 485.551 4.633 20 0 JJADRN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001455772695 1066429876 /nfs/dbraw/zinc/42/98/76/1066429876.db2.gz UOUMOUDMCXEDHR-SFTDATJTSA-N 0 0 456.512 4.778 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)Nc3ccccc3OC(C)(C)C)ccn2)CC1 ZINC001444213612 1066430752 /nfs/dbraw/zinc/43/07/52/1066430752.db2.gz IKQYTRRCWVPHPQ-UHFFFAOYSA-N 0 0 454.571 4.568 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](CC3CC3)NC(=O)OC(C)(C)C)s2)cc1 ZINC001444215314 1066430834 /nfs/dbraw/zinc/43/08/34/1066430834.db2.gz LCIHGMAQFAPMNV-LIRRHRJNSA-N 0 0 459.612 4.998 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCOc2ncccc2Cl)c1 ZINC001361145983 1066430816 /nfs/dbraw/zinc/43/08/16/1066430816.db2.gz OEQWYRZRLBKFAV-UHFFFAOYSA-N 0 0 469.895 4.600 20 0 JJADRN O=C(c1ccc(Br)c(Cl)c1F)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC001455790094 1066431571 /nfs/dbraw/zinc/43/15/71/1066431571.db2.gz NUVMVWAPJQTQFN-UHFFFAOYSA-N 0 0 454.723 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCC3C[C@H]4CC[C@@H](C3)S4)cs2)CC1 ZINC001455790536 1066431618 /nfs/dbraw/zinc/43/16/18/1066431618.db2.gz UGUNIXCNZFVCMW-ZXFUBFMLSA-N 0 0 451.658 4.662 20 0 JJADRN CCSc1ccc(CC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c(Br)c1 ZINC001444219243 1066431735 /nfs/dbraw/zinc/43/17/35/1066431735.db2.gz DCRKGFKSZLDQEP-MRXNPFEDSA-N 0 0 459.413 4.553 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001455793122 1066432263 /nfs/dbraw/zinc/43/22/63/1066432263.db2.gz NPKJTOYFJOCSNE-LJQANCHMSA-N 0 0 451.007 4.933 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001361147596 1066432893 /nfs/dbraw/zinc/43/28/93/1066432893.db2.gz NKCNJRYXBBEVSM-QFIPXVFZSA-N 0 0 454.368 4.628 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc2ccc(OCC)cc2[nH]1)c1cccc(Br)c1 ZINC001546076264 1066432953 /nfs/dbraw/zinc/43/29/53/1066432953.db2.gz JPMPTXKBCPAKIK-IBGZPJMESA-N 0 0 459.340 4.753 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C1 ZINC001455804781 1066433736 /nfs/dbraw/zinc/43/37/36/1066433736.db2.gz AJQZBNSMVBEOIK-AWEZNQCLSA-N 0 0 450.457 4.747 20 0 JJADRN Cc1cc(C(C)(C)C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)ccc1Br ZINC001455804685 1066433881 /nfs/dbraw/zinc/43/38/81/1066433881.db2.gz VVHRWBLLOSKLCU-QGZVFWFLSA-N 0 0 453.421 4.797 20 0 JJADRN O=C(CNC(=O)c1ccccc1Cl)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444246530 1066433878 /nfs/dbraw/zinc/43/38/78/1066433878.db2.gz DTGURSJBMISDEY-UHFFFAOYSA-N 0 0 455.769 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001444247148 1066433886 /nfs/dbraw/zinc/43/38/86/1066433886.db2.gz IELWTZQWAUIZDT-RZUBCFFCSA-N 0 0 458.647 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC001444247110 1066433933 /nfs/dbraw/zinc/43/39/33/1066433933.db2.gz HRISEFOMNDROLE-PKOBYXMFSA-N 0 0 456.587 4.670 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCc2cccc(C)n2)s1 ZINC001361148341 1066434323 /nfs/dbraw/zinc/43/43/23/1066434323.db2.gz HVWIRKGLRSLKKJ-UHFFFAOYSA-N 0 0 462.623 4.821 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(Cl)cc(C)c2N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444248322 1066434457 /nfs/dbraw/zinc/43/44/57/1066434457.db2.gz MUISRQZFCKTUKE-QHCPKHFHSA-N 0 0 456.995 4.770 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)c2ccsc2)s1 ZINC001361148489 1066435062 /nfs/dbraw/zinc/43/50/62/1066435062.db2.gz MHGCXAWYVCPABA-XMMPIXPASA-N 0 0 483.663 4.844 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001455808950 1066435087 /nfs/dbraw/zinc/43/50/87/1066435087.db2.gz OJWKIIMRBTXJQO-UZLBHIALSA-N 0 0 452.526 4.579 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)c2ccsc2)s1 ZINC001361148488 1066435132 /nfs/dbraw/zinc/43/51/32/1066435132.db2.gz MHGCXAWYVCPABA-DEOSSOPVSA-N 0 0 483.663 4.844 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361148436 1066435148 /nfs/dbraw/zinc/43/51/48/1066435148.db2.gz KQZURGDMNLTIKL-UHFFFAOYSA-N 0 0 471.646 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361148563 1066435200 /nfs/dbraw/zinc/43/52/00/1066435200.db2.gz OXKUKIWVBDAVPZ-CVDCTZTESA-N 0 0 455.628 4.628 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)c2ccccn2)c1 ZINC001361148525 1066435246 /nfs/dbraw/zinc/43/52/46/1066435246.db2.gz NQGNHQMOKIMOGG-QFIPXVFZSA-N 0 0 463.626 4.852 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H]1CCCOC1 ZINC001361148665 1066435859 /nfs/dbraw/zinc/43/58/59/1066435859.db2.gz RPLQFFGCQXSAEB-SIKLNZKXSA-N 0 0 467.614 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361148637 1066435910 /nfs/dbraw/zinc/43/59/10/1066435910.db2.gz QTQQQTPCUBKSIR-OAQYLSRUSA-N 0 0 469.630 4.791 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3nccs3)n2CCCC2CCOCC2)c1 ZINC001361148760 1066436677 /nfs/dbraw/zinc/43/66/77/1066436677.db2.gz VXGJDIDEVCPSAR-UHFFFAOYSA-N 0 0 455.628 4.774 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2O)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455815261 1066436804 /nfs/dbraw/zinc/43/68/04/1066436804.db2.gz ZDXAISOOPDRLIK-DENIHFKCSA-N 0 0 452.595 4.800 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCCC3)n2CCN2CCOC(C)(C)C2)c1 ZINC001361148725 1066436806 /nfs/dbraw/zinc/43/68/06/1066436806.db2.gz URIHGQGIZURETQ-UHFFFAOYSA-N 0 0 469.674 4.601 20 0 JJADRN CCC(=O)N[C@H](CCSC)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001444258078 1066436848 /nfs/dbraw/zinc/43/68/48/1066436848.db2.gz GVHUOFAUPDHCLJ-QGZVFWFLSA-N 0 0 455.502 4.503 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001361148777 1066437287 /nfs/dbraw/zinc/43/72/87/1066437287.db2.gz WDZYRYQVBKFIDR-ICSRJNTNSA-N 0 0 455.628 4.515 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001361148778 1066437451 /nfs/dbraw/zinc/43/74/51/1066437451.db2.gz WDZYRYQVBKFIDR-QUCCMNQESA-N 0 0 455.628 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(O[C@@H]3CC3(F)F)cc1)C2 ZINC001455816261 1066437505 /nfs/dbraw/zinc/43/75/05/1066437505.db2.gz HNZUZOQRNNKAPA-XXBNENTESA-N 0 0 450.526 4.726 20 0 JJADRN CC(C)C[C@@H](CC(=O)NCC1(c2cccc(Br)c2)CC1)NC(=O)OC(C)(C)C ZINC001444259681 1066437709 /nfs/dbraw/zinc/43/77/09/1066437709.db2.gz HOTGRKQLDGQZIY-SFHVURJKSA-N 0 0 453.421 4.926 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1 ZINC001455821423 1066438245 /nfs/dbraw/zinc/43/82/45/1066438245.db2.gz FYTXTRZAOTXQOQ-QYBDOPJKSA-N 0 0 457.615 4.555 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001455820980 1066438362 /nfs/dbraw/zinc/43/83/62/1066438362.db2.gz CTJCZJGOZQSISS-AREMUKBSSA-N 0 0 452.599 4.742 20 0 JJADRN CC(C)c1cnc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001444264597 1066438369 /nfs/dbraw/zinc/43/83/69/1066438369.db2.gz IUARWLWFIGXGAD-GJZGRUSLSA-N 0 0 457.625 4.554 20 0 JJADRN CC[C@@](C)(NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)c1nc(C)cs1 ZINC001444264737 1066438516 /nfs/dbraw/zinc/43/85/16/1066438516.db2.gz NPBYKOKEHKRZCO-BCPOHWRISA-N 0 0 453.674 4.762 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361149038 1066438641 /nfs/dbraw/zinc/43/86/41/1066438641.db2.gz GDIXGQANKFBRPC-VXKWHMMOSA-N 0 0 485.673 4.672 20 0 JJADRN Cc1ccccc1-c1cnc(NC(=O)COc2ccc(I)cc2)s1 ZINC001361149437 1066439371 /nfs/dbraw/zinc/43/93/71/1066439371.db2.gz AIRBCQRKECKIES-UHFFFAOYSA-N 0 0 450.301 4.741 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)ccc3C)nnc2N(C)OC2CCCC2)n1 ZINC001361149308 1066439487 /nfs/dbraw/zinc/43/94/87/1066439487.db2.gz QIBPIHZZKFCIND-UHFFFAOYSA-N 0 0 452.603 4.688 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001455831015 1066439609 /nfs/dbraw/zinc/43/96/09/1066439609.db2.gz OZDKYQZJEMUXCU-SMDDNHRTSA-N 0 0 459.431 4.661 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCc1coc(-c2ccccc2)n1 ZINC001444268620 1066439726 /nfs/dbraw/zinc/43/97/26/1066439726.db2.gz WKAZHAOJNAWAKN-UHFFFAOYSA-N 0 0 458.465 4.955 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N(C)CC2CCOCC2)s1 ZINC001361149523 1066439907 /nfs/dbraw/zinc/43/99/07/1066439907.db2.gz VYEUEDSPRFEQQY-UHFFFAOYSA-N 0 0 469.655 4.653 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361149685 1066440051 /nfs/dbraw/zinc/44/00/51/1066440051.db2.gz YHRVZCKMUJAUOF-UHFFFAOYSA-N 0 0 479.625 4.567 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(Cc3ccco3)C(C)C)n2CCC(=O)N2CCCCC2)c1 ZINC001361149497 1066440065 /nfs/dbraw/zinc/44/00/65/1066440065.db2.gz VRFCVBUQAVXMOT-UHFFFAOYSA-N 0 0 479.625 4.885 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cnn1-c1ccccc1C ZINC001455835361 1066440239 /nfs/dbraw/zinc/44/02/39/1066440239.db2.gz XPSRAHGIMPXKHT-AREMUKBSSA-N 0 0 452.599 4.742 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N(C)[C@H](CO)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001455838365 1066440264 /nfs/dbraw/zinc/44/02/64/1066440264.db2.gz RQJHJLVYFRPPPC-FCHUYYIVSA-N 0 0 456.583 4.542 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001444268768 1066440369 /nfs/dbraw/zinc/44/03/69/1066440369.db2.gz OBSWGSXZFGUSAJ-INIZCTEOSA-N 0 0 450.539 4.761 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(Cn3ccnc3)cc2)n1C ZINC001444269981 1066440460 /nfs/dbraw/zinc/44/04/60/1066440460.db2.gz ZOYBBAOJCGRLNN-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1csc(-c2ncccn2)n1 ZINC001361149722 1066440884 /nfs/dbraw/zinc/44/08/84/1066440884.db2.gz HBLDEWUOICTVPD-UHFFFAOYSA-N 0 0 457.397 4.995 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361151074 1066441212 /nfs/dbraw/zinc/44/12/12/1066441212.db2.gz BHJOYFLGSCBMHK-QQURRQIPSA-N 0 0 496.574 4.691 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCc2ccccn2)c1 ZINC001361151139 1066441306 /nfs/dbraw/zinc/44/13/06/1066441306.db2.gz CEHKQLHWHBSGEV-UHFFFAOYSA-N 0 0 457.500 4.810 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccs2)c1 ZINC001361151039 1066441379 /nfs/dbraw/zinc/44/13/79/1066441379.db2.gz AOHCBMAKCYGDKZ-PZJWPPBQSA-N 0 0 497.665 4.933 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](O)Cc2ccccc2F)cc1C ZINC001455846415 1066441372 /nfs/dbraw/zinc/44/13/72/1066441372.db2.gz OJFONZQQZSLOIH-DEOSSOPVSA-N 0 0 457.549 4.688 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001546076884 1066441985 /nfs/dbraw/zinc/44/19/85/1066441985.db2.gz CHLXBHRQPFEQMK-QFIPXVFZSA-N 0 0 493.555 4.843 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 ZINC001444276609 1066442122 /nfs/dbraw/zinc/44/21/22/1066442122.db2.gz YFWZRMRPYHSSCQ-FCHUYYIVSA-N 0 0 451.592 4.573 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCSC2)c1 ZINC001361151535 1066443196 /nfs/dbraw/zinc/44/31/96/1066443196.db2.gz JKTQJAATZGYTQA-QGZVFWFLSA-N 0 0 452.546 4.926 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361151489 1066443240 /nfs/dbraw/zinc/44/32/40/1066443240.db2.gz BMBJASUFJJSXOG-ICSRJNTNSA-N 0 0 479.591 4.983 20 0 JJADRN O=C([C@@H](Oc1ccc(Br)cc1)c1ccccc1)N1CCC[C@@H](c2ncccn2)C1 ZINC001455867601 1066443490 /nfs/dbraw/zinc/44/34/90/1066443490.db2.gz PNTRSMKNFPUHHX-NQIIRXRSSA-N 0 0 452.352 4.765 20 0 JJADRN Cc1csc(-c2cccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)c2)n1 ZINC001455868657 1066443516 /nfs/dbraw/zinc/44/35/16/1066443516.db2.gz AZNPLLLNKAWTQF-HZPDHXFCSA-N 0 0 455.502 4.646 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361151691 1066443787 /nfs/dbraw/zinc/44/37/87/1066443787.db2.gz DPRUPNGXCIPMBD-RDPSFJRHSA-N 0 0 494.558 4.696 20 0 JJADRN C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)ccc2N1C ZINC001444287822 1066444095 /nfs/dbraw/zinc/44/40/95/1066444095.db2.gz ZBROCWXELAMZOI-ZDUSSCGKSA-N 0 0 455.440 4.873 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N3C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC001455880691 1066445383 /nfs/dbraw/zinc/44/53/83/1066445383.db2.gz VUHKGKHHOLGFQV-AUVQFFENSA-N 0 0 464.484 4.776 20 0 JJADRN CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC)c1cccc2ccccc21 ZINC001455884616 1066445400 /nfs/dbraw/zinc/44/54/00/1066445400.db2.gz CASJAVFFNVALGZ-XZOQPEGZSA-N 0 0 450.604 4.967 20 0 JJADRN O=C(CCOc1ccccc1Cl)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001444303079 1066445386 /nfs/dbraw/zinc/44/53/86/1066445386.db2.gz IUBJQDVRCXPUBW-UHFFFAOYSA-N 0 0 453.642 4.846 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2(C)CCCO2)c1 ZINC001361152173 1066446000 /nfs/dbraw/zinc/44/60/00/1066446000.db2.gz QFJUSTYAZNJXJK-JOCHJYFZSA-N 0 0 450.505 4.742 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545966689 1066446079 /nfs/dbraw/zinc/44/60/79/1066446079.db2.gz IPWKGTOTALUIMQ-SFHVURJKSA-N 0 0 486.642 4.658 20 0 JJADRN CC[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc2ccccc21 ZINC001455885783 1066446183 /nfs/dbraw/zinc/44/61/83/1066446183.db2.gz FUSWMIOVEWZHQG-QFIPXVFZSA-N 0 0 459.575 4.580 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCCCS(C)(=O)=O)c1 ZINC001361152702 1066446427 /nfs/dbraw/zinc/44/64/27/1066446427.db2.gz PIHFABTUWYBMQM-NRFANRHFSA-N 0 0 476.687 4.561 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC2(C)COC2)c1 ZINC001361152475 1066446572 /nfs/dbraw/zinc/44/65/72/1066446572.db2.gz MIGLKZOPSPMFRE-UHFFFAOYSA-N 0 0 492.464 4.832 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001444316928 1066446683 /nfs/dbraw/zinc/44/66/83/1066446683.db2.gz DGOZZODTTFSJDW-AMIZOPFISA-N 0 0 450.558 4.699 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)c2ccccc2c1=O ZINC001455890918 1066446743 /nfs/dbraw/zinc/44/67/43/1066446743.db2.gz SIBXORKQBLMJAF-IBGZPJMESA-N 0 0 452.624 4.837 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361152814 1066447180 /nfs/dbraw/zinc/44/71/80/1066447180.db2.gz RMECYBLFVWPDRO-UHFFFAOYSA-N 0 0 453.553 4.594 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC001444318461 1066447402 /nfs/dbraw/zinc/44/74/02/1066447402.db2.gz ISNFDKFPFMDORK-DNVJHFABSA-N 0 0 458.986 4.802 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC001455893089 1066447312 /nfs/dbraw/zinc/44/73/12/1066447312.db2.gz WGUFGKXGSJGKTQ-DHIUTWEWSA-N 0 0 456.633 4.507 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccc(F)cc2)C1 ZINC001546077373 1066448094 /nfs/dbraw/zinc/44/80/94/1066448094.db2.gz NHCMSXLBNDDMTQ-OSPHWJPCSA-N 0 0 455.603 4.839 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccc(F)cc2)C1 ZINC001546077372 1066448102 /nfs/dbraw/zinc/44/81/02/1066448102.db2.gz NHCMSXLBNDDMTQ-MZNJEOGPSA-N 0 0 455.603 4.839 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001444318627 1066448103 /nfs/dbraw/zinc/44/81/03/1066448103.db2.gz IJTCOIXLDXMAGT-OPAMFIHVSA-N 0 0 458.967 4.647 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001444318623 1066448142 /nfs/dbraw/zinc/44/81/42/1066448142.db2.gz IJTCOIXLDXMAGT-AOMKIAJQSA-N 0 0 458.967 4.647 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N1CCC[C@H](Cc3nccs3)C1)N2C(=O)OC(C)(C)C ZINC001455904331 1066448857 /nfs/dbraw/zinc/44/88/57/1066448857.db2.gz ICNYYUWVRXIAOF-UZLBHIALSA-N 0 0 459.587 4.738 20 0 JJADRN C[C@@]1([C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)C2)COC(=O)N1 ZINC001455907381 1066449357 /nfs/dbraw/zinc/44/93/57/1066449357.db2.gz GXUSQYLJBRCANY-ZHRRBRCNSA-N 0 0 450.432 4.862 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)C1 ZINC001361153572 1066449980 /nfs/dbraw/zinc/44/99/80/1066449980.db2.gz JQZSWKQNDSJHFR-OXJNMPFZSA-N 0 0 455.860 4.804 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)O2 ZINC001455912919 1066450024 /nfs/dbraw/zinc/45/00/24/1066450024.db2.gz CKZZPLBQJGJPKL-ZKHYOSDHSA-N 0 0 450.366 4.834 20 0 JJADRN CC(C)C(=O)N1CCC(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)CC1 ZINC001361153606 1066450392 /nfs/dbraw/zinc/45/03/92/1066450392.db2.gz KIHAMZXIJVLYEQ-OAHLLOKOSA-N 0 0 454.258 4.629 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)O[C@@H](c3ccc(Br)cc3)C(F)(F)F)C2)c1 ZINC001361153578 1066450403 /nfs/dbraw/zinc/45/04/03/1066450403.db2.gz JSACIXFZKHAVRT-SJORKVTESA-N 0 0 458.230 4.798 20 0 JJADRN CCn1c(SCC(=O)N2CCS[C@@]2(C)Cc2ccccc2)nnc1-c1ccccc1C ZINC001455913386 1066450472 /nfs/dbraw/zinc/45/04/72/1066450472.db2.gz AJDXHBNQXPNKPC-DEOSSOPVSA-N 0 0 452.649 4.900 20 0 JJADRN O=C(N[C@H](CO)CCc1ccccc1)c1cccnc1Sc1ccc(Br)cc1 ZINC001455915026 1066450502 /nfs/dbraw/zinc/45/05/02/1066450502.db2.gz SQEKWKZWCHOYDB-SFHVURJKSA-N 0 0 457.393 4.719 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](NC(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001455921932 1066451127 /nfs/dbraw/zinc/45/11/27/1066451127.db2.gz MDLFNIOXGPDWTI-MOPGFXCFSA-N 0 0 478.589 4.542 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(Cl)cc1Cl ZINC001455919396 1066451210 /nfs/dbraw/zinc/45/12/10/1066451210.db2.gz MVKJLSQHNXRPOX-BCEDRHLLSA-N 0 0 467.418 4.983 20 0 JJADRN Cc1cccc2c(CCNC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)c[nH]c21 ZINC001444337314 1066451217 /nfs/dbraw/zinc/45/12/17/1066451217.db2.gz LCLKMYMVFGWUDN-UHFFFAOYSA-N 0 0 453.505 4.715 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CSC)c2)C1 ZINC001546077580 1066451304 /nfs/dbraw/zinc/45/13/04/1066451304.db2.gz RCGMRRCKGSARAO-XMMPIXPASA-N 0 0 469.680 4.807 20 0 JJADRN CCN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccncc1 ZINC001455924117 1066451717 /nfs/dbraw/zinc/45/17/17/1066451717.db2.gz BQGYFBAYEGTINC-UHFFFAOYSA-N 0 0 458.345 4.959 20 0 JJADRN O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[C@H](O)c1ccc(Cl)cc1 ZINC001444344036 1066451792 /nfs/dbraw/zinc/45/17/92/1066451792.db2.gz USLKDUKYVRHHBG-XMMPIXPASA-N 0 0 451.950 4.775 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361154768 1066451786 /nfs/dbraw/zinc/45/17/86/1066451786.db2.gz GDEWNSPMMKWMJQ-OAQYLSRUSA-N 0 0 499.725 4.747 20 0 JJADRN O=C(/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ncnc3ccsc32)CC1 ZINC001444345610 1066452463 /nfs/dbraw/zinc/45/24/63/1066452463.db2.gz WOGYJFURBPVLBX-XNTDXEJSSA-N 0 0 454.424 4.508 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361154987 1066452486 /nfs/dbraw/zinc/45/24/86/1066452486.db2.gz IDZGELRIRHWJGX-QFIPXVFZSA-N 0 0 467.658 4.782 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3c(OC)ccnc3OC)cc2)CC1 ZINC001455928471 1066452494 /nfs/dbraw/zinc/45/24/94/1066452494.db2.gz QEKVGJYJAFCCBQ-UHFFFAOYSA-N 0 0 453.583 4.964 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1ccc(C(N)=O)cc1 ZINC001455926707 1066452583 /nfs/dbraw/zinc/45/25/83/1066452583.db2.gz LJJKHDZULGGMFB-UHFFFAOYSA-N 0 0 457.299 4.752 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001455927376 1066452592 /nfs/dbraw/zinc/45/25/92/1066452592.db2.gz MDKWTOKAJXMQSZ-SIIHOXLZSA-N 0 0 459.414 4.672 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001455929025 1066453136 /nfs/dbraw/zinc/45/31/36/1066453136.db2.gz OYTKOCZWCNBDOW-YRXWBPOGSA-N 0 0 455.624 4.965 20 0 JJADRN CC[C@@H](CC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348655 1066453104 /nfs/dbraw/zinc/45/31/04/1066453104.db2.gz DGEKBPVDIGSQQI-IBGZPJMESA-N 0 0 455.002 4.615 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCCC(F)(F)C2)c1 ZINC001361155314 1066453706 /nfs/dbraw/zinc/45/37/06/1066453706.db2.gz RZVOPPINKRIMAB-NRFANRHFSA-N 0 0 462.585 4.898 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H]2CC=CCO2)c1 ZINC001361155305 1066453829 /nfs/dbraw/zinc/45/38/29/1066453829.db2.gz AJQXNHYWAWBOSS-RBUKOAKNSA-N 0 0 450.505 4.598 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCC2(F)CCC2)c1 ZINC001361155299 1066453855 /nfs/dbraw/zinc/45/38/55/1066453855.db2.gz AJQDBPGWIDAJSO-JOCHJYFZSA-N 0 0 485.648 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361155263 1066453863 /nfs/dbraw/zinc/45/38/63/1066453863.db2.gz QYVGFTKOZMVRLO-UHFFFAOYSA-N 0 0 467.658 4.651 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCSCC(C)C)c1 ZINC001361155400 1066454406 /nfs/dbraw/zinc/45/44/06/1066454406.db2.gz BOKCZBVEZUMMGQ-YADHBBJMSA-N 0 0 458.672 4.868 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(C)C)CC1 ZINC001361155468 1066455129 /nfs/dbraw/zinc/45/51/29/1066455129.db2.gz UQTPUSVUAAQUIU-UHFFFAOYSA-N 0 0 479.625 4.820 20 0 JJADRN C[C@H]1[C@@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C(=O)OC(C)(C)C ZINC001455936272 1066455238 /nfs/dbraw/zinc/45/52/38/1066455238.db2.gz YRXWBIFFZGTZFZ-LPHOPBHVSA-N 0 0 455.530 4.591 20 0 JJADRN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC001444364699 1066455241 /nfs/dbraw/zinc/45/52/41/1066455241.db2.gz UYXBPZMRFLCJBU-QFIPXVFZSA-N 0 0 453.384 4.737 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361155761 1066455541 /nfs/dbraw/zinc/45/55/41/1066455541.db2.gz GFDAJPXTFWBNEJ-IBGZPJMESA-N 0 0 458.557 4.986 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(C)n(-c2ccn(C)n2)c1C ZINC001444369244 1066456071 /nfs/dbraw/zinc/45/60/71/1066456071.db2.gz YNLUYPNAXSEGEH-UHFFFAOYSA-N 0 0 452.946 4.583 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCCC(C)(C)C)c1 ZINC001361155792 1066456318 /nfs/dbraw/zinc/45/63/18/1066456318.db2.gz GNQMMGXEKYPXTO-OAQYLSRUSA-N 0 0 451.619 4.733 20 0 JJADRN O=C(NC1CN(c2ccc(C(F)(F)F)cc2)C1)C1(Cc2ccccc2Br)CC1 ZINC001455939240 1066456451 /nfs/dbraw/zinc/45/64/51/1066456451.db2.gz BVBQZOMGUFVTKS-UHFFFAOYSA-N 0 0 453.302 4.796 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Br)cn3)c(F)c2)cc1 ZINC001455943507 1066456877 /nfs/dbraw/zinc/45/68/77/1066456877.db2.gz HPSJSFHRPVDKNW-UHFFFAOYSA-N 0 0 456.315 4.669 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Oc3cccc(C(=O)Nc4ccc(C)cc4)c3)cc2C1=O ZINC001455943643 1066457044 /nfs/dbraw/zinc/45/70/44/1066457044.db2.gz IXADVSQPLMGPGA-UHFFFAOYSA-N 0 0 456.498 4.863 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361156189 1066457660 /nfs/dbraw/zinc/45/76/60/1066457660.db2.gz PUHDIGNLHKRZKC-LJQANCHMSA-N 0 0 495.590 4.803 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC=C(Br)C3)n2CCCOC(F)(F)F)c1 ZINC001361156136 1066457679 /nfs/dbraw/zinc/45/76/79/1066457679.db2.gz OLLPRDWMHIIBNA-UHFFFAOYSA-N 0 0 489.336 4.889 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 ZINC001455946787 1066457711 /nfs/dbraw/zinc/45/77/11/1066457711.db2.gz BXGUEUBTCAHWOV-ZHRRBRCNSA-N 0 0 458.521 4.712 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967032 1066458117 /nfs/dbraw/zinc/45/81/17/1066458117.db2.gz OTZAQTYKWYPLAP-HKUYNNGSSA-N 0 0 471.602 4.604 20 0 JJADRN O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC001455949270 1066458233 /nfs/dbraw/zinc/45/82/33/1066458233.db2.gz ODVXVKXGQAMWDV-UHFFFAOYSA-N 0 0 455.744 4.802 20 0 JJADRN COc1cc(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)ccc1OCc1ccccc1 ZINC001455951556 1066458833 /nfs/dbraw/zinc/45/88/33/1066458833.db2.gz SPMLBNPPHQGBID-UHFFFAOYSA-N 0 0 456.464 4.912 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001455950797 1066458930 /nfs/dbraw/zinc/45/89/30/1066458930.db2.gz XKAXHLGLGRWXML-UHFFFAOYSA-N 0 0 457.433 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)c1cc(Cl)cc(Cl)c1N)C(F)(F)F ZINC001455951741 1066459000 /nfs/dbraw/zinc/45/90/00/1066459000.db2.gz SVRVMOCYICIMLD-QGZVFWFLSA-N 0 0 456.292 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156577 1066459350 /nfs/dbraw/zinc/45/93/50/1066459350.db2.gz YTNYZFAGMXUMHH-UYAOXDASSA-N 0 0 465.564 4.594 20 0 JJADRN O=C(c1c(F)cccc1Cl)N1CCN(C(=O)c2c(Cl)cccc2OCC2CC2)CC1 ZINC001455955127 1066459388 /nfs/dbraw/zinc/45/93/88/1066459388.db2.gz ASFAUDYOWHYTQU-UHFFFAOYSA-N 0 0 451.325 4.520 20 0 JJADRN CCc1nc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)nn1-c1c(Cl)cccc1Cl ZINC001455955603 1066459473 /nfs/dbraw/zinc/45/94/73/1066459473.db2.gz JVIDMAYMKVGSOP-UHFFFAOYSA-N 0 0 455.349 4.942 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NC[C@@]3(C(F)(F)F)CCCN3C(=O)OC(C)(C)C)c2)cs1 ZINC001455956419 1066459936 /nfs/dbraw/zinc/45/99/36/1066459936.db2.gz REKVYLBTSZHANL-LJQANCHMSA-N 0 0 458.506 4.508 20 0 JJADRN CC(C)(C)c1cc(C(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)nc2ncnn21 ZINC001361156963 1066459860 /nfs/dbraw/zinc/45/98/60/1066459860.db2.gz KMQAPRQMBYLEHF-CQSZACIVSA-N 0 0 457.250 4.645 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 ZINC001361157760 1066460608 /nfs/dbraw/zinc/46/06/08/1066460608.db2.gz IPOPUPKXDGDUFE-SFHVURJKSA-N 0 0 454.596 4.536 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc2cc(Cl)ccc2n1C ZINC001361157368 1066460642 /nfs/dbraw/zinc/46/06/42/1066460642.db2.gz QZFAETAMUMZHNL-TZMCWYRMSA-N 0 0 457.905 4.723 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001455957085 1066460724 /nfs/dbraw/zinc/46/07/24/1066460724.db2.gz AYHPMFHNTKXAEQ-FQEVSTJZSA-N 0 0 453.341 4.521 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC001444414162 1066460672 /nfs/dbraw/zinc/46/06/72/1066460672.db2.gz WHCMGLGGJCTHDK-CYBMUJFWSA-N 0 0 451.386 4.727 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)CCC(=O)c1ccc(I)cc1 ZINC001444415364 1066460718 /nfs/dbraw/zinc/46/07/18/1066460718.db2.gz VTFWYGKYYCOPLN-SFHVURJKSA-N 0 0 450.320 4.649 20 0 JJADRN CN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158588 1066461254 /nfs/dbraw/zinc/46/12/54/1066461254.db2.gz UMKXSUAXMWFDOS-FQEVSTJZSA-N 0 0 451.542 4.910 20 0 JJADRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC001444443020 1066461720 /nfs/dbraw/zinc/46/17/20/1066461720.db2.gz PCKYDCMVXBIEPS-SFHVURJKSA-N 0 0 452.505 4.946 20 0 JJADRN C[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1cccc(Cl)c1Cl ZINC001444443000 1066461891 /nfs/dbraw/zinc/46/18/91/1066461891.db2.gz VDNSNBPKJJLIRQ-STQMWFEESA-N 0 0 453.370 4.932 20 0 JJADRN CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455962685 1066461946 /nfs/dbraw/zinc/46/19/46/1066461946.db2.gz OISDEBHDRDGJEI-VWLOTQADSA-N 0 0 459.496 4.822 20 0 JJADRN COCc1cncc(C(=O)Oc2ccccc2C(=O)OCc2ccc(Br)cc2)c1 ZINC001455965179 1066462477 /nfs/dbraw/zinc/46/24/77/1066462477.db2.gz SXKFNWYPDSBKSG-UHFFFAOYSA-N 0 0 456.292 4.567 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCC(C)(C)C ZINC001444459521 1066462654 /nfs/dbraw/zinc/46/26/54/1066462654.db2.gz LSEPTNKSYAAARU-QGZVFWFLSA-N 0 0 457.409 4.966 20 0 JJADRN COc1cc(CNC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)ccc1OCc1cccnc1 ZINC001444467950 1066463046 /nfs/dbraw/zinc/46/30/46/1066463046.db2.gz KDUJVHXMMDEGJP-KRWDZBQOSA-N 0 0 452.938 4.848 20 0 JJADRN CCCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1 ZINC001444468755 1066463150 /nfs/dbraw/zinc/46/31/50/1066463150.db2.gz DQLKREPNCSDYOA-UHFFFAOYSA-N 0 0 452.576 4.784 20 0 JJADRN COc1cc(CNC(=O)c2coc(-c3c(F)cccc3F)n2)ccc1OCc1cccnc1 ZINC001444471564 1066463940 /nfs/dbraw/zinc/46/39/40/1066463940.db2.gz WNRNRJMSKVHFEU-UHFFFAOYSA-N 0 0 451.429 4.532 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361159445 1066463909 /nfs/dbraw/zinc/46/39/09/1066463909.db2.gz ZLIQJTAIGXKIKR-GOSISDBHSA-N 0 0 475.515 4.551 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCCCC3)n2CCCn2cc(Br)cn2)c1 ZINC001361159370 1066464071 /nfs/dbraw/zinc/46/40/71/1066464071.db2.gz XKKPJKORICXXKX-UHFFFAOYSA-N 0 0 487.446 4.904 20 0 JJADRN NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC001455971970 1066464043 /nfs/dbraw/zinc/46/40/43/1066464043.db2.gz NKMKZMHHTDDLKZ-QGZVFWFLSA-N 0 0 451.320 4.546 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CC[C@H](C)C2)c1 ZINC001361159710 1066464342 /nfs/dbraw/zinc/46/43/42/1066464342.db2.gz IHHPZOVXRGHBDH-PXNSSMCTSA-N 0 0 465.564 4.594 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCC2=CCCCC2)c1 ZINC001361159603 1066464538 /nfs/dbraw/zinc/46/45/38/1066464538.db2.gz DFSJLIFZEXJAMM-UHFFFAOYSA-N 0 0 494.684 4.995 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC2(C(C)C)CC2)c1 ZINC001361159798 1066465091 /nfs/dbraw/zinc/46/50/91/1066465091.db2.gz KLRAKCLHFLHQCQ-UHFFFAOYSA-N 0 0 483.657 4.825 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2CCCC2(C)C)c1 ZINC001361159822 1066465105 /nfs/dbraw/zinc/46/51/05/1066465105.db2.gz LDUSEYVZWOCXJU-XZOQPEGZSA-N 0 0 481.685 4.993 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC001444480257 1066465208 /nfs/dbraw/zinc/46/52/08/1066465208.db2.gz HDDBZYMOLPCOAC-ADSBAMQRSA-N 0 0 450.000 4.903 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)C2)c1 ZINC001444478860 1066465222 /nfs/dbraw/zinc/46/52/22/1066465222.db2.gz ITOPLYLCXZGBLM-GHTZIAJQSA-N 0 0 454.546 4.608 20 0 JJADRN O=C(CSc1nnnn1C1CC1)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001444486817 1066465918 /nfs/dbraw/zinc/46/59/18/1066465918.db2.gz TWCFNLSXKOSZBN-UHFFFAOYSA-N 0 0 450.351 4.516 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)n2CCC(C)C)c1 ZINC001361159998 1066465862 /nfs/dbraw/zinc/46/58/62/1066465862.db2.gz QZCKXRJRJBKVNR-QFIPXVFZSA-N 0 0 495.672 4.910 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C ZINC001361160150 1066466531 /nfs/dbraw/zinc/46/65/31/1066466531.db2.gz BWAAOYHZUCWRQF-AWEZNQCLSA-N 0 0 454.910 4.887 20 0 JJADRN COc1cc(CN(C)C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)c(SC)cc1OC ZINC001444489727 1066466769 /nfs/dbraw/zinc/46/67/69/1066466769.db2.gz QDZKVGORKWSPFL-FQEVSTJZSA-N 0 0 453.482 4.791 20 0 JJADRN CC(C)COc1ccccc1C(=O)NCc1cc(Br)cc(Br)c1N ZINC001455986812 1066467135 /nfs/dbraw/zinc/46/71/35/1066467135.db2.gz MMAPEUBYRRXSPD-UHFFFAOYSA-N 0 0 456.178 4.759 20 0 JJADRN C[C@H](OC(=O)[C@]1(C)CC1(Br)Br)c1nc2cc(Cl)ccc2n1C ZINC001361161319 1066467076 /nfs/dbraw/zinc/46/70/76/1066467076.db2.gz WYMALVAHXQEZMP-RTHLEPHNSA-N 0 0 450.558 4.727 20 0 JJADRN Cc1ccc(OCCC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493790 1066467631 /nfs/dbraw/zinc/46/76/31/1066467631.db2.gz YYIPEOCVSTUCAQ-INIZCTEOSA-N 0 0 451.336 4.895 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](COCc3ccccc3)C2)cnn1-c1cccc(Br)c1 ZINC001361161669 1066467770 /nfs/dbraw/zinc/46/77/70/1066467770.db2.gz UNBSZNUVIMGOPC-IBGZPJMESA-N 0 0 454.368 4.622 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001455988823 1066467921 /nfs/dbraw/zinc/46/79/21/1066467921.db2.gz IIBYSVUIHVIRGW-LBPRGKRZSA-N 0 0 454.324 4.788 20 0 JJADRN CCc1c(C(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)nnn1Cc1ccccc1 ZINC001444498375 1066468153 /nfs/dbraw/zinc/46/81/53/1066468153.db2.gz BPMWCZVUDMRBTB-IBGZPJMESA-N 0 0 452.986 4.646 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC4(CCCCC4)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001361161969 1066468414 /nfs/dbraw/zinc/46/84/14/1066468414.db2.gz DMIKUPKGOHSJPD-UUWRZZSWSA-N 0 0 488.698 4.561 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001361161932 1066468452 /nfs/dbraw/zinc/46/84/52/1066468452.db2.gz CRYNPBKVHQZARE-OXQOHEQNSA-N 0 0 493.530 4.650 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCCSCC(C)C)c1 ZINC001361162196 1066468960 /nfs/dbraw/zinc/46/89/60/1066468960.db2.gz KGDFHMWIMUFMJN-GJZUVCINSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361162155 1066469006 /nfs/dbraw/zinc/46/90/06/1066469006.db2.gz JJEDMBYCLLOGRZ-QFQXNSOFSA-N 0 0 454.615 4.808 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCCSCC(C)C)c1 ZINC001361162195 1066469012 /nfs/dbraw/zinc/46/90/12/1066469012.db2.gz KGDFHMWIMUFMJN-BKMJKUGQSA-N 0 0 488.698 4.637 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1)c1ccc(Br)cc1 ZINC001455993852 1066469258 /nfs/dbraw/zinc/46/92/58/1066469258.db2.gz VSJDTFYMVAVWRI-CQSZACIVSA-N 0 0 459.413 4.553 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001361162237 1066469439 /nfs/dbraw/zinc/46/94/39/1066469439.db2.gz LGVRIXRLNXQSTR-LJQANCHMSA-N 0 0 469.655 4.794 20 0 JJADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCCCc2ccccc21 ZINC001444507951 1066469535 /nfs/dbraw/zinc/46/95/35/1066469535.db2.gz LBEIGQKGPUEQAO-UHFFFAOYSA-N 0 0 454.514 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC2(F)CCC2)c1 ZINC001361162223 1066469492 /nfs/dbraw/zinc/46/94/92/1066469492.db2.gz KUVADYSTCFJWTG-GOSISDBHSA-N 0 0 456.484 4.524 20 0 JJADRN CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001455997647 1066469756 /nfs/dbraw/zinc/46/97/56/1066469756.db2.gz MDGASSPLIDNFEJ-UHFFFAOYSA-N 0 0 459.527 4.509 20 0 JJADRN CC[C@H](CNC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C(=O)OC(C)(C)C ZINC001456003062 1066470304 /nfs/dbraw/zinc/47/03/04/1066470304.db2.gz UWPUJMNQBUPLOV-OAHLLOKOSA-N 0 0 457.621 4.935 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001361162411 1066470227 /nfs/dbraw/zinc/47/02/27/1066470227.db2.gz OEBXCURJMQKXBH-HHHXNRCGSA-N 0 0 481.641 4.963 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c2)cc1 ZINC001444509955 1066470315 /nfs/dbraw/zinc/47/03/15/1066470315.db2.gz QXHSLBJWYPKFNQ-LJQANCHMSA-N 0 0 458.502 4.511 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444511871 1066470915 /nfs/dbraw/zinc/47/09/15/1066470915.db2.gz HJXODNJTLBXTLL-WEVXLUSXSA-N 0 0 459.587 4.858 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2nccs2)c1 ZINC001361162873 1066470951 /nfs/dbraw/zinc/47/09/51/1066470951.db2.gz STZJRLAWDZJUED-DEOSSOPVSA-N 0 0 455.628 4.620 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)C[C@@H](C)n2ccnc2)cc1 ZINC001456008210 1066471111 /nfs/dbraw/zinc/47/11/11/1066471111.db2.gz MREDUYZFJBUPOV-MRXNPFEDSA-N 0 0 455.356 4.789 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC001456006054 1066471119 /nfs/dbraw/zinc/47/11/19/1066471119.db2.gz IYPXQIVJRSCKRJ-UHFFFAOYSA-N 0 0 458.558 4.873 20 0 JJADRN O=C(CCCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC001444513455 1066471465 /nfs/dbraw/zinc/47/14/65/1066471465.db2.gz JEYIPPCYFMAQPD-QFIPXVFZSA-N 0 0 452.526 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2cccc(C)n2)c1 ZINC001361163037 1066471552 /nfs/dbraw/zinc/47/15/52/1066471552.db2.gz JZOKLWHYMGKCCW-DEOSSOPVSA-N 0 0 465.667 4.998 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@H](C)CC(=O)c2ccccc2F)CC1 ZINC001444513537 1066471544 /nfs/dbraw/zinc/47/15/44/1066471544.db2.gz ZVWSMKUHUNEVSB-MRXNPFEDSA-N 0 0 452.551 4.542 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2O)C1 ZINC001444513946 1066471640 /nfs/dbraw/zinc/47/16/40/1066471640.db2.gz VFMCLZXCGYTTNV-AWEZNQCLSA-N 0 0 452.776 4.841 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1)c1cccs1 ZINC001456010186 1066471708 /nfs/dbraw/zinc/47/17/08/1066471708.db2.gz PIXHUJMSTABWAM-UHFFFAOYSA-N 0 0 452.923 4.676 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC001456011358 1066471757 /nfs/dbraw/zinc/47/17/57/1066471757.db2.gz SOEZNSUATLJPFU-UHFFFAOYSA-N 0 0 452.729 4.538 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361163173 1066471922 /nfs/dbraw/zinc/47/19/22/1066471922.db2.gz VMWHSXMMMVXIIE-IGKIAQTJSA-N 0 0 470.658 4.666 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(=O)NC2CCCCC2)c1 ZINC001361163291 1066472701 /nfs/dbraw/zinc/47/27/01/1066472701.db2.gz MGFZGWIIHVTLIM-UYAOXDASSA-N 0 0 493.574 4.557 20 0 JJADRN Cc1ccccc1[C@H](C)C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001444544176 1066473348 /nfs/dbraw/zinc/47/33/48/1066473348.db2.gz AYMGMSAZLZBRBG-KRWDZBQOSA-N 0 0 450.476 4.933 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1nccc2c(Br)cccc21 ZINC001456015173 1066473386 /nfs/dbraw/zinc/47/33/86/1066473386.db2.gz BCVYKWYWGJTVLP-UHFFFAOYSA-N 0 0 450.377 4.811 20 0 JJADRN Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC001456015462 1066474010 /nfs/dbraw/zinc/47/40/10/1066474010.db2.gz JRKZDXLGHDIVNH-SFHVURJKSA-N 0 0 453.564 4.719 20 0 JJADRN Cc1cccc([C@H](C)C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 ZINC001444551258 1066474336 /nfs/dbraw/zinc/47/43/36/1066474336.db2.gz MLTWAKMRIXZRRL-KRWDZBQOSA-N 0 0 450.476 4.933 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCSc1ccccc1Br ZINC001456017141 1066474653 /nfs/dbraw/zinc/47/46/53/1066474653.db2.gz HZTIMEYNYHYCFF-HNNXBMFYSA-N 0 0 459.450 4.987 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCC1 ZINC001456016413 1066474706 /nfs/dbraw/zinc/47/47/06/1066474706.db2.gz HEVKRQWWAGJSOH-UHFFFAOYSA-N 0 0 458.946 4.763 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCSc1ccccc1Br ZINC001456017147 1066474945 /nfs/dbraw/zinc/47/49/45/1066474945.db2.gz HZTIMEYNYHYCFF-OAHLLOKOSA-N 0 0 459.450 4.987 20 0 JJADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)CC2 ZINC001444551823 1066475046 /nfs/dbraw/zinc/47/50/46/1066475046.db2.gz HJTHDMUBGCEKQO-MOPGFXCFSA-N 0 0 450.366 4.524 20 0 JJADRN C[C@@H](O)CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001444558386 1066475697 /nfs/dbraw/zinc/47/56/97/1066475697.db2.gz DOWQRZNZRGVQEJ-DVECYGJZSA-N 0 0 450.966 4.611 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1(C)C ZINC001444559399 1066475812 /nfs/dbraw/zinc/47/58/12/1066475812.db2.gz FEVGRVWHMHGMNE-NHCUHLMSSA-N 0 0 459.631 4.530 20 0 JJADRN Cc1nnnn1-c1cc(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)ccc1F ZINC001361164542 1066475782 /nfs/dbraw/zinc/47/57/82/1066475782.db2.gz NLKWHSUIDMDPQI-QFIPXVFZSA-N 0 0 451.889 4.830 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cc(Br)c(Cl)cc2OC)cc1OC ZINC001456018831 1066476323 /nfs/dbraw/zinc/47/63/23/1066476323.db2.gz RHGJSHYGLBTHGY-UHFFFAOYSA-N 0 0 456.764 4.836 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC001456018672 1066476350 /nfs/dbraw/zinc/47/63/50/1066476350.db2.gz PPZXVIRUTKNPDH-UHFFFAOYSA-N 0 0 453.901 4.813 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C(C)C)n3Cc3cc(Br)cs3)C2)cc1 ZINC001361165010 1066476300 /nfs/dbraw/zinc/47/63/00/1066476300.db2.gz BVAMZPLYGVIEJM-OAQYLSRUSA-N 0 0 461.429 4.680 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(Cc4ccccn4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001361165699 1066476318 /nfs/dbraw/zinc/47/63/18/1066476318.db2.gz KUVGXOGBHLKPRA-UHFFFAOYSA-N 0 0 486.586 4.625 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)[C@H]3CCCc4sccc43)cc2)[nH]1 ZINC001444561630 1066476513 /nfs/dbraw/zinc/47/65/13/1066476513.db2.gz CZPIFRMXXBBSPA-KRWDZBQOSA-N 0 0 453.568 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC001444564512 1066477076 /nfs/dbraw/zinc/47/70/76/1066477076.db2.gz UBRLTDMCXGHIRW-NRFANRHFSA-N 0 0 451.405 4.634 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC3=CCCCC3)CC2)cc1 ZINC001361166060 1066477183 /nfs/dbraw/zinc/47/71/83/1066477183.db2.gz PGMBHBSGXJPRSL-OAQYLSRUSA-N 0 0 485.698 4.645 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C(=O)OC(C)(C)C ZINC001456019499 1066477068 /nfs/dbraw/zinc/47/70/68/1066477068.db2.gz SELGSCXNUOGIIB-PWSUYJOCSA-N 0 0 455.483 4.592 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC ZINC001456019966 1066477129 /nfs/dbraw/zinc/47/71/29/1066477129.db2.gz NXHAMBFSGZEBQF-KRWDZBQOSA-N 0 0 453.608 4.624 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001444568155 1066477588 /nfs/dbraw/zinc/47/75/88/1066477588.db2.gz XUPASIOMPLTXPL-UHFFFAOYSA-N 0 0 451.939 4.507 20 0 JJADRN CC[C@]1(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001444568374 1066477664 /nfs/dbraw/zinc/47/76/64/1066477664.db2.gz PLHVCVWUHCPEKV-GBXCKJPGSA-N 0 0 451.007 4.792 20 0 JJADRN Cc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1Br ZINC001456020583 1066477678 /nfs/dbraw/zinc/47/76/78/1066477678.db2.gz WNENNDXEUBFIPD-NRFANRHFSA-N 0 0 451.364 4.666 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1)C1CCCC1 ZINC001444567648 1066477815 /nfs/dbraw/zinc/47/78/15/1066477815.db2.gz NRYOAPUUVBGQCU-XMMPIXPASA-N 0 0 454.998 4.732 20 0 JJADRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595890 1066479380 /nfs/dbraw/zinc/47/93/80/1066479380.db2.gz GGISYYPYJLSCEQ-SFHVURJKSA-N 0 0 455.917 4.973 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(C(C)C)nnc3N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)co2)cc1 ZINC001361166948 1066479389 /nfs/dbraw/zinc/47/93/89/1066479389.db2.gz CGWBSYKPFPUGQB-VQIMIIECSA-N 0 0 463.504 4.764 20 0 JJADRN CCSCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 ZINC001444581175 1066479410 /nfs/dbraw/zinc/47/94/10/1066479410.db2.gz KTDBJUGFKXHLKU-UHFFFAOYSA-N 0 0 459.420 4.940 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC001444594637 1066479517 /nfs/dbraw/zinc/47/95/17/1066479517.db2.gz AJVLNYLFZWVHEU-SMDDNHRTSA-N 0 0 450.885 4.849 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)sc(C)c1CC ZINC001444601083 1066480261 /nfs/dbraw/zinc/48/02/61/1066480261.db2.gz ISAOEBMXBAKWPG-CYBMUJFWSA-N 0 0 452.573 4.634 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)NC[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)s2)c(C)c1 ZINC001444602203 1066480853 /nfs/dbraw/zinc/48/08/53/1066480853.db2.gz GOJJOODABMKNID-SJLPKXTDSA-N 0 0 459.612 4.917 20 0 JJADRN CCOC(=O)c1ccccc1N(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001456028353 1066481396 /nfs/dbraw/zinc/48/13/96/1066481396.db2.gz AIAOAWLCZQOGKD-UHFFFAOYSA-N 0 0 457.695 4.706 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CCC(C)C)C2)cc1 ZINC001361167809 1066481491 /nfs/dbraw/zinc/48/14/91/1066481491.db2.gz WUWARTGENOSLHG-SBQVMTCPSA-N 0 0 483.657 4.501 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)NC[C@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)cs2)c1 ZINC001444608721 1066481630 /nfs/dbraw/zinc/48/16/30/1066481630.db2.gz MMQZJIJRFRYWJZ-LPHOPBHVSA-N 0 0 459.612 4.538 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC001361168113 1066481981 /nfs/dbraw/zinc/48/19/81/1066481981.db2.gz KNCHBSOHFVLLOB-INIZCTEOSA-N 0 0 453.174 4.825 20 0 JJADRN Cc1c(I)ccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1C ZINC001456028914 1066482206 /nfs/dbraw/zinc/48/22/06/1066482206.db2.gz CYOJZYYXPPRMGL-WMLDXEAASA-N 0 0 472.367 4.930 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361169378 1066482835 /nfs/dbraw/zinc/48/28/35/1066482835.db2.gz CDKYMNSUYQVSBU-MAIKQXBRSA-N 0 0 470.639 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@]2(C)CCCS2)o1 ZINC001361169466 1066482938 /nfs/dbraw/zinc/48/29/38/1066482938.db2.gz FMIZZLIKUFOUER-GAJHUEQPSA-N 0 0 474.652 4.733 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cc(Br)cnc1Cl ZINC001456030747 1066482975 /nfs/dbraw/zinc/48/29/75/1066482975.db2.gz QBDFXEXTYSWTJE-INIZCTEOSA-N 0 0 457.199 4.935 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)nn1-c1cccc(F)c1 ZINC001456030800 1066483000 /nfs/dbraw/zinc/48/30/00/1066483000.db2.gz KOCYKNPHHMYUND-UHFFFAOYSA-N 0 0 459.481 4.673 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@]2(C)CCCS2)o1 ZINC001361169468 1066483568 /nfs/dbraw/zinc/48/35/68/1066483568.db2.gz FMIZZLIKUFOUER-SBUREZEXSA-N 0 0 474.652 4.733 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001456032130 1066483730 /nfs/dbraw/zinc/48/37/30/1066483730.db2.gz TYGCIIFLEPPLFA-QHCPKHFHSA-N 0 0 454.473 4.902 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(CCc2ccccc2)[nH]n1 ZINC001444616154 1066483749 /nfs/dbraw/zinc/48/37/49/1066483749.db2.gz MEUDMAVWUBUHHZ-MHZLTWQESA-N 0 0 454.574 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2CCNC(=O)C(C)C)o1 ZINC001361169731 1066484208 /nfs/dbraw/zinc/48/42/08/1066484208.db2.gz AKZWGQWRIVQUJS-GOSISDBHSA-N 0 0 492.393 4.528 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001444616906 1066484178 /nfs/dbraw/zinc/48/41/78/1066484178.db2.gz FCCYNLPPGQCIRC-YVEFUNNKSA-N 0 0 451.539 4.772 20 0 JJADRN COc1cccc(C[C@@H](O)C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1 ZINC001444617341 1066484292 /nfs/dbraw/zinc/48/42/92/1066484292.db2.gz RBVZQRJIFJERFE-OAHLLOKOSA-N 0 0 453.404 4.911 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361169752 1066484647 /nfs/dbraw/zinc/48/46/47/1066484647.db2.gz JYQOAQRTRZMPFW-HNAYVOBHSA-N 0 0 486.414 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@H]2CCO[C@@H](C)C2)o1 ZINC001361169745 1066484686 /nfs/dbraw/zinc/48/46/86/1066484686.db2.gz JVAIQOXDXBKTBD-QIPOMELMSA-N 0 0 470.639 4.987 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2Cc2ccn(C)n2)cc1Br ZINC001361169806 1066484715 /nfs/dbraw/zinc/48/47/15/1066484715.db2.gz BJQCCROVWGSUNP-HNAYVOBHSA-N 0 0 457.420 4.813 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC001456034499 1066485056 /nfs/dbraw/zinc/48/50/56/1066485056.db2.gz PJVFKPKSKRLXRV-UHFFFAOYSA-N 0 0 450.474 4.702 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC3)n2CCCNc2ccccn2)cc1Br ZINC001361170379 1066485071 /nfs/dbraw/zinc/48/50/71/1066485071.db2.gz HAXRXAWGQIVNCM-UHFFFAOYSA-N 0 0 455.404 4.902 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCCCC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361170409 1066485208 /nfs/dbraw/zinc/48/52/08/1066485208.db2.gz HINQTVCAGRMHOZ-IBGZPJMESA-N 0 0 474.447 4.700 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001361169998 1066485274 /nfs/dbraw/zinc/48/52/74/1066485274.db2.gz BFLNPWSWPFKNKK-LBPRGKRZSA-N 0 0 457.702 4.872 20 0 JJADRN CCCC[C@H](NC(=O)c1cnn(C(C)C)c1I)c1ccc(OC)cc1 ZINC001456036403 1066485805 /nfs/dbraw/zinc/48/58/05/1066485805.db2.gz FOFISNHDNMHVFR-KRWDZBQOSA-N 0 0 455.340 4.739 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2ncc(Br)cc2Br)cc1 ZINC001456035926 1066485854 /nfs/dbraw/zinc/48/58/54/1066485854.db2.gz PHJGTOIQUOAIAL-UHFFFAOYSA-N 0 0 459.163 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccc(N4CCOC4=O)c3)n2CCCOC(F)(F)F)o1 ZINC001361170640 1066485844 /nfs/dbraw/zinc/48/58/44/1066485844.db2.gz PHDRINVQRMZMPW-MRXNPFEDSA-N 0 0 493.486 4.927 20 0 JJADRN CCCC[C@@H](NC(=O)c1cnn(C(C)C)c1I)c1ccc(OC)cc1 ZINC001456036405 1066485937 /nfs/dbraw/zinc/48/59/37/1066485937.db2.gz FOFISNHDNMHVFR-QGZVFWFLSA-N 0 0 455.340 4.739 20 0 JJADRN Cc1c(C(=O)N2CCSC[C@H]2C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001444627719 1066486114 /nfs/dbraw/zinc/48/61/14/1066486114.db2.gz SFVSHTPXZKBQHC-CQSZACIVSA-N 0 0 459.662 4.780 20 0 JJADRN CC(C)n1c(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nc2ccccc21 ZINC001444631593 1066486145 /nfs/dbraw/zinc/48/61/45/1066486145.db2.gz NRCAALKPAJKHEG-LJQANCHMSA-N 0 0 454.546 4.681 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444631974 1066486635 /nfs/dbraw/zinc/48/66/35/1066486635.db2.gz XJTFNMJBUSGGPA-YOEHRIQHSA-N 0 0 451.539 4.548 20 0 JJADRN COc1ccc(-c2nc(CC(=O)NCc3nc4ccccc4n3C(C)C)cs2)cc1OC ZINC001444634538 1066486647 /nfs/dbraw/zinc/48/66/47/1066486647.db2.gz TWOKSKXKAUTTON-UHFFFAOYSA-N 0 0 450.564 4.617 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001456038732 1066487259 /nfs/dbraw/zinc/48/72/59/1066487259.db2.gz NEBDVWDDTZLIKE-KUHUBIRLSA-N 0 0 452.473 4.880 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2CC(C)C)cc1Br ZINC001361171339 1066487393 /nfs/dbraw/zinc/48/73/93/1066487393.db2.gz OCGYAFSOKOOGGE-IBGZPJMESA-N 0 0 457.420 4.919 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001456039034 1066487965 /nfs/dbraw/zinc/48/79/65/1066487965.db2.gz RFTYFWHZWWPUKB-FPOVZHCZSA-N 0 0 450.476 4.848 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC3)n2CCOc2ncccc2F)cc1Br ZINC001361172030 1066488754 /nfs/dbraw/zinc/48/87/54/1066488754.db2.gz VWEUYVJSVQSQBR-UHFFFAOYSA-N 0 0 460.351 4.618 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001444653770 1066488880 /nfs/dbraw/zinc/48/88/80/1066488880.db2.gz VRKJLLGQMKXPBZ-CPJSRVTESA-N 0 0 456.652 4.961 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001456041986 1066488913 /nfs/dbraw/zinc/48/89/13/1066488913.db2.gz ZTPNFOAAEUITLN-GCJKJVERSA-N 0 0 459.468 4.528 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)o2)c1 ZINC001456041839 1066488937 /nfs/dbraw/zinc/48/89/37/1066488937.db2.gz XGTQXQBIVHJICH-FQEVSTJZSA-N 0 0 456.340 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2CCc2c(C)noc2C)o1 ZINC001361172046 1066489382 /nfs/dbraw/zinc/48/93/82/1066489382.db2.gz YKLOKUFGGPLXNF-GTOJURISSA-N 0 0 467.595 4.629 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456045317 1066490026 /nfs/dbraw/zinc/49/00/26/1066490026.db2.gz ARELQKIDIWEMTE-ZWCUEREDSA-N 0 0 459.409 4.575 20 0 JJADRN CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)C1CC1 ZINC001456044821 1066490064 /nfs/dbraw/zinc/49/00/64/1066490064.db2.gz DSVJDZUTFCQTJW-QGZVFWFLSA-N 0 0 451.375 4.922 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(F)c3)c(F)c2)cc1 ZINC001456044965 1066490087 /nfs/dbraw/zinc/49/00/87/1066490087.db2.gz BKMKSRXGPMOJSY-QFIPXVFZSA-N 0 0 454.498 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361173385 1066490626 /nfs/dbraw/zinc/49/06/26/1066490626.db2.gz GSIMYNZNLYDZJO-WOJBJXKFSA-N 0 0 465.598 4.742 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001361173083 1066490632 /nfs/dbraw/zinc/49/06/32/1066490632.db2.gz NCZPSBSCBAFIOA-MSOLQXFVSA-N 0 0 451.394 4.510 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361173862 1066490682 /nfs/dbraw/zinc/49/06/82/1066490682.db2.gz KPDHCAKKNVFRHT-AWEZNQCLSA-N 0 0 453.399 4.602 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCCOCC(F)F)cc1Br ZINC001361173762 1066490694 /nfs/dbraw/zinc/49/06/94/1066490694.db2.gz JASPENAXZVFJQO-OAHLLOKOSA-N 0 0 475.403 4.630 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC001456045391 1066490748 /nfs/dbraw/zinc/49/07/48/1066490748.db2.gz BCIDAFGAKRBPFL-RHSMWYFYSA-N 0 0 453.391 4.918 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C ZINC001456046274 1066490767 /nfs/dbraw/zinc/49/07/67/1066490767.db2.gz FAAMMDLQKIDSBX-ILCZHQDMSA-N 0 0 450.482 4.837 20 0 JJADRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001444668520 1066490828 /nfs/dbraw/zinc/49/08/28/1066490828.db2.gz SOENLRVUZAOIJM-JXMROGBWSA-N 0 0 451.920 4.653 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1Cl ZINC001444669744 1066490918 /nfs/dbraw/zinc/49/09/18/1066490918.db2.gz SCZMJOQSZCCFGO-WIYYLYMNSA-N 0 0 456.970 4.811 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001456046611 1066491204 /nfs/dbraw/zinc/49/12/04/1066491204.db2.gz GNWGHPKGGDSOGG-LJQANCHMSA-N 0 0 459.543 4.635 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(N(C)c3ccccc3)n2)c1C ZINC001456047401 1066491518 /nfs/dbraw/zinc/49/15/18/1066491518.db2.gz IOERIXGAQRSIKN-FQEVSTJZSA-N 0 0 452.605 4.682 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001456046930 1066491631 /nfs/dbraw/zinc/49/16/31/1066491631.db2.gz OFZOPLYRRATGDR-QFIPXVFZSA-N 0 0 453.583 4.580 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCOc2ncccc2F)cc1Br ZINC001361174729 1066491641 /nfs/dbraw/zinc/49/16/41/1066491641.db2.gz WBRUYBGGAHPSSS-MRXNPFEDSA-N 0 0 492.418 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCO[C@H](C)C2)cc1Br ZINC001361175083 1066492129 /nfs/dbraw/zinc/49/21/29/1066492129.db2.gz BOZMRTCLVSHKAA-ZIAGYGMSSA-N 0 0 461.326 4.830 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(C)c3C)cc2c1 ZINC001456048775 1066492258 /nfs/dbraw/zinc/49/22/58/1066492258.db2.gz MOTGTOQOQOEZKD-FQEVSTJZSA-N 0 0 455.967 4.667 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)c1cc(Br)c(C)cc1Br ZINC001456049052 1066492321 /nfs/dbraw/zinc/49/23/21/1066492321.db2.gz QWJDRUHBRQEAKM-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1F ZINC001444678600 1066492223 /nfs/dbraw/zinc/49/22/23/1066492223.db2.gz VWXGQWSMEKKANM-CYBMUJFWSA-N 0 0 451.119 4.757 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCOc2cccc3ccccc32)cc1 ZINC001456049768 1066492802 /nfs/dbraw/zinc/49/28/02/1066492802.db2.gz KMLUZKPRRNGBTJ-JOCHJYFZSA-N 0 0 450.560 4.548 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCOc2cc(Cl)ccc2Cl)c(C)c1 ZINC001456050575 1066493465 /nfs/dbraw/zinc/49/34/65/1066493465.db2.gz QFBWZDYNXRRMNJ-GOSISDBHSA-N 0 0 453.391 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)cc1Br ZINC001361175925 1066493815 /nfs/dbraw/zinc/49/38/15/1066493815.db2.gz YJJSUAFGWDNHJM-UHFFFAOYSA-N 0 0 497.503 4.856 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC2(CCOCC2)CC[C@@H]1CO ZINC001456053833 1066493646 /nfs/dbraw/zinc/49/36/46/1066493646.db2.gz CSPZOFYVWFOSFC-CYBMUJFWSA-N 0 0 456.427 4.633 20 0 JJADRN CCc1sc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)cc1Br ZINC001456053633 1066494623 /nfs/dbraw/zinc/49/46/23/1066494623.db2.gz VYEVEZGKEXAJII-HNNXBMFYSA-N 0 0 453.427 4.844 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)n1 ZINC001444704717 1066495053 /nfs/dbraw/zinc/49/50/53/1066495053.db2.gz LPHPEXFOWPYRAV-OAHLLOKOSA-N 0 0 451.552 4.608 20 0 JJADRN CN1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c2cc(Cl)ccc21 ZINC001361176953 1066495207 /nfs/dbraw/zinc/49/52/07/1066495207.db2.gz OADIDBKOFOCFNC-UHFFFAOYSA-N 0 0 454.979 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361177462 1066495896 /nfs/dbraw/zinc/49/58/96/1066495896.db2.gz FHIIWWOTNJOUEA-LJQANCHMSA-N 0 0 472.590 4.637 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3cccc(F)c3)n2)c1C ZINC001456055353 1066495966 /nfs/dbraw/zinc/49/59/66/1066495966.db2.gz XXWPQZAPCBSQEI-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN COc1cccc([C@@H](O)C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001444712476 1066496552 /nfs/dbraw/zinc/49/65/52/1066496552.db2.gz WCBAADWKKNGILO-VWNXMTODSA-N 0 0 454.364 4.765 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccoc1C ZINC001361177619 1066496578 /nfs/dbraw/zinc/49/65/78/1066496578.db2.gz KQSURSKAKWTIRZ-UHFFFAOYSA-N 0 0 483.414 4.952 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001444723345 1066497423 /nfs/dbraw/zinc/49/74/23/1066497423.db2.gz NFRKXLYUZVFIHC-LJQANCHMSA-N 0 0 453.583 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NCCc2nc3cc(F)ccc3[nH]2)CC1 ZINC001444726282 1066497432 /nfs/dbraw/zinc/49/74/32/1066497432.db2.gz FLQQLUNLGDKADP-SFHVURJKSA-N 0 0 458.578 4.568 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001444723262 1066497454 /nfs/dbraw/zinc/49/74/54/1066497454.db2.gz NFRKXLYUZVFIHC-IBGZPJMESA-N 0 0 453.583 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2C[C@@H]2CCC[C@H](O)C2)o1 ZINC001361178048 1066497698 /nfs/dbraw/zinc/49/76/98/1066497698.db2.gz YBTKQBHIHIKJEX-CABCVRRESA-N 0 0 465.417 4.858 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@H]1C ZINC001361177962 1066497721 /nfs/dbraw/zinc/49/77/21/1066497721.db2.gz WHYDQLQJPFGNSM-CMJOXMDJSA-N 0 0 488.430 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001444727131 1066497973 /nfs/dbraw/zinc/49/79/73/1066497973.db2.gz RAVUWHFDYBMABK-OTVXOJSOSA-N 0 0 457.434 4.739 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2C[C@@H]2CCC[C@@H](O)C2)o1 ZINC001361178050 1066498166 /nfs/dbraw/zinc/49/81/66/1066498166.db2.gz YBTKQBHIHIKJEX-HUUCEWRRSA-N 0 0 465.417 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CC(F)(F)CO2)o1 ZINC001361178162 1066498234 /nfs/dbraw/zinc/49/82/34/1066498234.db2.gz HBDWYBOJMPNMET-INIZCTEOSA-N 0 0 467.314 4.670 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1C ZINC001444733374 1066498863 /nfs/dbraw/zinc/49/88/63/1066498863.db2.gz JHAGWZGTBLSEID-QHMKHHNBSA-N 0 0 453.627 4.884 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CCc2nccc(C(F)(F)F)n2)o1 ZINC001361178581 1066498942 /nfs/dbraw/zinc/49/89/42/1066498942.db2.gz OYSPPIQJNVXZKM-UHFFFAOYSA-N 0 0 462.501 4.904 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361178768 1066499474 /nfs/dbraw/zinc/49/94/74/1066499474.db2.gz RVTUBNNOACTQJY-YTTGMZPUSA-N 0 0 466.554 4.632 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546078983 1066499681 /nfs/dbraw/zinc/49/96/81/1066499681.db2.gz CXPIYUYBSNKBDV-GTYOFVGBSA-N 0 0 464.701 4.753 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCOCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001361179023 1066500015 /nfs/dbraw/zinc/50/00/15/1066500015.db2.gz NMQRPUVFQUNMHF-IBGZPJMESA-N 0 0 452.473 4.604 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCCc2cnn(C)c2)o1 ZINC001361178977 1066500042 /nfs/dbraw/zinc/50/00/42/1066500042.db2.gz WKBBKEXOAVSOQQ-UHFFFAOYSA-N 0 0 458.488 4.868 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC001444738835 1066500281 /nfs/dbraw/zinc/50/02/81/1066500281.db2.gz QAFZMTDTNGWJQC-FQEVSTJZSA-N 0 0 455.407 4.642 20 0 JJADRN CCC[C@@](C)(O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC ZINC001444738372 1066500296 /nfs/dbraw/zinc/50/02/96/1066500296.db2.gz MMFWCGUASCYVCX-RTFHYFGRSA-N 0 0 452.595 4.607 20 0 JJADRN CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067009 1066500620 /nfs/dbraw/zinc/50/06/20/1066500620.db2.gz PMMXSGKVZBOPKT-SXOMAYOGSA-N 0 0 457.574 4.957 20 0 JJADRN CCSCC[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001361180235 1066500667 /nfs/dbraw/zinc/50/06/67/1066500667.db2.gz RYGNVVJWHDBSRD-AWEZNQCLSA-N 0 0 451.017 4.921 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3CCC[C@@H]3c3cncc(Br)c3)n2)c1 ZINC001456066993 1066500676 /nfs/dbraw/zinc/50/06/76/1066500676.db2.gz LMXVXJNLEFNIJW-QGZVFWFLSA-N 0 0 459.369 4.658 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001456068168 1066501057 /nfs/dbraw/zinc/50/10/57/1066501057.db2.gz RPCWXRABHDKQLA-QGZVFWFLSA-N 0 0 453.514 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001456068161 1066501176 /nfs/dbraw/zinc/50/11/76/1066501176.db2.gz RPCWXRABHDKQLA-KRWDZBQOSA-N 0 0 453.514 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@H](C)OCC(C)C)no3)n2C[C@@]2(O)CCCC2(C)C)o1 ZINC001361180919 1066501516 /nfs/dbraw/zinc/50/15/16/1066501516.db2.gz AYHQHZPIQAHFHN-BVZFJXPGSA-N 0 0 486.617 4.541 20 0 JJADRN C[C@](O)(CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)cc1F ZINC001444754421 1066501717 /nfs/dbraw/zinc/50/17/17/1066501717.db2.gz PSUZBBUDCBUSFZ-NRFANRHFSA-N 0 0 452.379 4.808 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001456069221 1066501806 /nfs/dbraw/zinc/50/18/06/1066501806.db2.gz XFNONOWJIGOQPU-UHFFFAOYSA-N 0 0 456.652 4.957 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CCN2CCOCC2(C)C)o1 ZINC001361180936 1066502013 /nfs/dbraw/zinc/50/20/13/1066502013.db2.gz LWXPVNSHJIEHBN-UHFFFAOYSA-N 0 0 477.531 4.613 20 0 JJADRN CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456071189 1066502119 /nfs/dbraw/zinc/50/21/19/1066502119.db2.gz HNUGOJHDPYEQDR-DEOSSOPVSA-N 0 0 454.954 4.941 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC001444760840 1066502146 /nfs/dbraw/zinc/50/21/46/1066502146.db2.gz YZASIJURIWCPOP-OAQYLSRUSA-N 0 0 452.910 4.600 20 0 JJADRN Cc1cc([C@](C)(O)CNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(C)o1 ZINC001444761206 1066502257 /nfs/dbraw/zinc/50/22/57/1066502257.db2.gz TXBOGBJGCJQWKV-HSZRJFAPSA-N 0 0 457.983 4.955 20 0 JJADRN CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456072059 1066502211 /nfs/dbraw/zinc/50/22/11/1066502211.db2.gz HNUGOJHDPYEQDR-XMMPIXPASA-N 0 0 454.954 4.941 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181229 1066502370 /nfs/dbraw/zinc/50/23/70/1066502370.db2.gz IABBYHFGMRFDRO-APWZRJJASA-N 0 0 455.559 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccco3)n2CCNC(=O)OC(C)(C)C)cc1Br ZINC001361181121 1066502475 /nfs/dbraw/zinc/50/24/75/1066502475.db2.gz QRTFWWIISFIDNJ-UHFFFAOYSA-N 0 0 490.402 4.770 20 0 JJADRN CC(C)COc1ccc(CC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1 ZINC001456073213 1066503090 /nfs/dbraw/zinc/50/30/90/1066503090.db2.gz UWNDEYUAXOZTKM-UHFFFAOYSA-N 0 0 450.579 4.668 20 0 JJADRN CCN(CC1CCN(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1)C(=O)OC(C)(C)C ZINC001444768946 1066503100 /nfs/dbraw/zinc/50/31/00/1066503100.db2.gz MNTSELNVDAXYMQ-RXFWQSSRSA-N 0 0 479.662 4.662 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361181476 1066503239 /nfs/dbraw/zinc/50/32/39/1066503239.db2.gz YATPUPKULJHTOW-UHFFFAOYSA-N 0 0 475.450 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CC[C@H](F)C2)cc1Br ZINC001361181409 1066503382 /nfs/dbraw/zinc/50/33/82/1066503382.db2.gz LJWAAPSSBNCSSB-RDJZCZTQSA-N 0 0 459.367 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)c2ncc(C)s2)o1 ZINC001361181467 1066503407 /nfs/dbraw/zinc/50/34/07/1066503407.db2.gz XSGGJPRPEZKCNY-GFCCVEGCSA-N 0 0 479.532 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@H](C)OCC(C)C)no3)n2Cc2ccc(F)cc2)o1 ZINC001361181414 1066503413 /nfs/dbraw/zinc/50/34/13/1066503413.db2.gz LLSDDYVJACXUQP-KRWDZBQOSA-N 0 0 468.533 4.787 20 0 JJADRN CCN(C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075433 1066503573 /nfs/dbraw/zinc/50/35/73/1066503573.db2.gz OYGJEYMHSADEKE-NZQKXSOJSA-N 0 0 454.979 4.634 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001444782918 1066503582 /nfs/dbraw/zinc/50/35/82/1066503582.db2.gz FYRXLZLXMVYVDK-HNNXBMFYSA-N 0 0 450.888 4.950 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2sc(NC3CC3)nc2C)cc1 ZINC001444776803 1066503776 /nfs/dbraw/zinc/50/37/76/1066503776.db2.gz IXOAUERFTTXPOH-UHFFFAOYSA-N 0 0 457.577 4.864 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545969123 1066503788 /nfs/dbraw/zinc/50/37/88/1066503788.db2.gz RMRPTFYRYVICLW-IAGOWNOFSA-N 0 0 478.037 4.906 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181573 1066503856 /nfs/dbraw/zinc/50/38/56/1066503856.db2.gz OWJHOXRQRXSSJL-CRAIPNDOSA-N 0 0 472.615 4.585 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)CCc2cccc(F)c2Br)C2CC2)nc1C ZINC001456076059 1066504091 /nfs/dbraw/zinc/50/40/91/1066504091.db2.gz NGILGQNLNLWBER-UHFFFAOYSA-N 0 0 455.349 4.658 20 0 JJADRN Cn1nc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1NC(=O)OC(C)(C)C ZINC001444789570 1066504209 /nfs/dbraw/zinc/50/42/09/1066504209.db2.gz VTTSUKMTCUZNHM-UHFFFAOYSA-N 0 0 452.477 4.638 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cscn1 ZINC001361181799 1066504365 /nfs/dbraw/zinc/50/43/65/1066504365.db2.gz XATIYWGKGSHUQC-UHFFFAOYSA-N 0 0 486.443 4.704 20 0 JJADRN CN(C(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001456077316 1066504540 /nfs/dbraw/zinc/50/45/40/1066504540.db2.gz OADDTLFDDLOMEB-FZMZJTMJSA-N 0 0 451.283 4.600 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)Cc2ccc(Br)c(Cl)c2)C2CC2)nc1C ZINC001456077814 1066504676 /nfs/dbraw/zinc/50/46/76/1066504676.db2.gz RYGUGQVFMZWPOS-UHFFFAOYSA-N 0 0 457.777 4.782 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccc(OC)cc2)c1C)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001456076945 1066504688 /nfs/dbraw/zinc/50/46/88/1066504688.db2.gz SUUGGLOBGQRDRE-SANMLTNESA-N 0 0 455.562 4.599 20 0 JJADRN O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001444790954 1066504749 /nfs/dbraw/zinc/50/47/49/1066504749.db2.gz CRKJBGDFQOIHET-UHFFFAOYSA-N 0 0 452.457 4.579 20 0 JJADRN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)cc1 ZINC001456079195 1066505001 /nfs/dbraw/zinc/50/50/01/1066505001.db2.gz XMCTWTMOCVFVKT-JWQCQUIFSA-N 0 0 454.636 4.539 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2CCCC2CCOCC2)cc1Br ZINC001361182982 1066505125 /nfs/dbraw/zinc/50/51/25/1066505125.db2.gz DKLWWAMXRMGYDW-UHFFFAOYSA-N 0 0 474.403 4.847 20 0 JJADRN CCN(C(=O)CSCC(=O)N(C)C1CCCCC1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001456078888 1066505211 /nfs/dbraw/zinc/50/52/11/1066505211.db2.gz WRRNVDRBFLQVIG-SANMLTNESA-N 0 0 453.652 4.852 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)Nc1ncc(I)cc1C ZINC001361183437 1066505481 /nfs/dbraw/zinc/50/54/81/1066505481.db2.gz SULVXOQHXQMNDX-UHFFFAOYSA-N 0 0 452.336 4.956 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccccc1C(=O)c1ccc(OC)cc1 ZINC001444801014 1066505666 /nfs/dbraw/zinc/50/56/66/1066505666.db2.gz IACJVCNOVMHCEO-UHFFFAOYSA-N 0 0 457.574 4.700 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)c2)o1 ZINC001361183812 1066506068 /nfs/dbraw/zinc/50/60/68/1066506068.db2.gz ZLZDWLFDZICLAT-UHFFFAOYSA-N 0 0 452.312 4.808 20 0 JJADRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001456081222 1066505998 /nfs/dbraw/zinc/50/59/98/1066505998.db2.gz XMIGWADEEFOFLL-FQEVSTJZSA-N 0 0 454.492 4.711 20 0 JJADRN C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001444807364 1066507149 /nfs/dbraw/zinc/50/71/49/1066507149.db2.gz JPWOJLICQLFTKZ-IERDGZPVSA-N 0 0 454.958 4.969 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c1=O ZINC001456088769 1066507182 /nfs/dbraw/zinc/50/71/82/1066507182.db2.gz YGFOZPTZWNUIGA-IBGZPJMESA-N 0 0 455.002 4.607 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)C1 ZINC001546079308 1066507504 /nfs/dbraw/zinc/50/75/04/1066507504.db2.gz JLIQLOMIUBRZDR-RUZDIDTESA-N 0 0 457.688 4.616 20 0 JJADRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001444810161 1066507611 /nfs/dbraw/zinc/50/76/11/1066507611.db2.gz UEUDJKFZWULQNM-BJKOFHAPSA-N 0 0 452.576 4.557 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2Cc2cc(C(C)(C)C)no2)cc1Br ZINC001361184453 1066507684 /nfs/dbraw/zinc/50/76/84/1066507684.db2.gz KPIMMDHQLGNEFQ-INIZCTEOSA-N 0 0 488.430 4.823 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CCN1C(=O)OC(C)(C)C ZINC001444808663 1066507677 /nfs/dbraw/zinc/50/76/77/1066507677.db2.gz LGTMKWVHNZJCLG-INIZCTEOSA-N 0 0 454.958 4.760 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC001456089732 1066507720 /nfs/dbraw/zinc/50/77/20/1066507720.db2.gz FUTPJFWZVKYNEI-JOCHJYFZSA-N 0 0 459.329 4.877 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCCO[C@H]2CCOC2)cc1Br ZINC001361184935 1066508627 /nfs/dbraw/zinc/50/86/27/1066508627.db2.gz WAKJLEHZRROBIZ-IBGZPJMESA-N 0 0 465.436 4.694 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1 ZINC001456098776 1066508673 /nfs/dbraw/zinc/50/86/73/1066508673.db2.gz MVVJOQTVOISRBX-TZIWHRDSSA-N 0 0 459.537 4.706 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815030 1066508826 /nfs/dbraw/zinc/50/88/26/1066508826.db2.gz SXLIBUCXLYZPAM-IAGOWNOFSA-N 0 0 454.564 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)C1 ZINC001456095767 1066508995 /nfs/dbraw/zinc/50/89/95/1066508995.db2.gz AGFVYLWYNCMNDN-QGZVFWFLSA-N 0 0 459.493 4.514 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C1CC1 ZINC001456100262 1066509492 /nfs/dbraw/zinc/50/94/92/1066509492.db2.gz AUVOTQNEKVJEEW-HNAYVOBHSA-N 0 0 450.362 4.926 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cs1 ZINC001361186244 1066509663 /nfs/dbraw/zinc/50/96/63/1066509663.db2.gz SRBIOZDXBWPKNI-UHFFFAOYSA-N 0 0 457.518 4.793 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC001361185733 1066509706 /nfs/dbraw/zinc/50/97/06/1066509706.db2.gz MKRRSKBKLDEFLN-SFHVURJKSA-N 0 0 452.473 4.787 20 0 JJADRN COc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)ccc1Br ZINC001456101972 1066509882 /nfs/dbraw/zinc/50/98/82/1066509882.db2.gz JPOTWXZHQOEDAN-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545969563 1066509990 /nfs/dbraw/zinc/50/99/90/1066509990.db2.gz ZRXICVJXROBYOE-IAGOWNOFSA-N 0 0 464.010 4.517 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC001444827146 1066510005 /nfs/dbraw/zinc/51/00/05/1066510005.db2.gz KNAUQVRRUJVREW-YKSBVNFPSA-N 0 0 451.592 4.566 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444829491 1066510435 /nfs/dbraw/zinc/51/04/35/1066510435.db2.gz SOUOQJAFZQHPKJ-SFHVURJKSA-N 0 0 458.521 4.563 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)NC(N)=O ZINC001444831258 1066510500 /nfs/dbraw/zinc/51/05/00/1066510500.db2.gz ZFOKATPWLBLAJX-LJQANCHMSA-N 0 0 451.489 4.607 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001444829525 1066510528 /nfs/dbraw/zinc/51/05/28/1066510528.db2.gz SWHCICJJUBDBHN-LGVFNWMJSA-N 0 0 453.558 4.662 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C ZINC001361186935 1066510423 /nfs/dbraw/zinc/51/04/23/1066510423.db2.gz ZLAXYMBPRGXJHS-OAQYLSRUSA-N 0 0 453.366 4.859 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 ZINC001361186939 1066510563 /nfs/dbraw/zinc/51/05/63/1066510563.db2.gz ZMUQWADJXSZXLD-RTBURBONSA-N 0 0 453.560 4.775 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 ZINC001444836857 1066510999 /nfs/dbraw/zinc/51/09/99/1066510999.db2.gz FVVPDGLHNWDUEN-INIZCTEOSA-N 0 0 450.482 4.711 20 0 JJADRN COc1ccc(CN(C(=O)c2ccn(CCC(F)(F)F)n2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001456107010 1066511082 /nfs/dbraw/zinc/51/10/82/1066511082.db2.gz LHDTWALRBBKAMP-UHFFFAOYSA-N 0 0 457.456 4.876 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@]2(O)CCC[C@H]2C)cc1Br ZINC001361187097 1066510935 /nfs/dbraw/zinc/51/09/35/1066510935.db2.gz FLXBXYGAIOVCQQ-OPAMFIHVSA-N 0 0 490.471 4.703 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CC3)n2CCNC(=O)OC(C)(C)C)cc1Br ZINC001361187089 1066510967 /nfs/dbraw/zinc/51/09/67/1066510967.db2.gz FGJAOHLPGMKZOH-UHFFFAOYSA-N 0 0 478.435 4.777 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CCc2cc(C(F)(F)F)ccn2)o1 ZINC001361187317 1066511524 /nfs/dbraw/zinc/51/15/24/1066511524.db2.gz MLWSQCOUHLOJJC-UHFFFAOYSA-N 0 0 462.501 4.638 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001546079494 1066511492 /nfs/dbraw/zinc/51/14/92/1066511492.db2.gz NQHSWNDDYYVVIM-PXDATVDWSA-N 0 0 493.668 4.861 20 0 JJADRN O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(Cl)nc(C2CC2)c1 ZINC001444849648 1066511974 /nfs/dbraw/zinc/51/19/74/1066511974.db2.gz OIHHJQSSFHOUGI-QGZVFWFLSA-N 0 0 452.782 4.811 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)[C@H]1c1ccccc1 ZINC001444850240 1066512083 /nfs/dbraw/zinc/51/20/83/1066512083.db2.gz AONIAZIPYLIHRJ-FYINFDKHSA-N 0 0 459.359 4.660 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001444849409 1066512156 /nfs/dbraw/zinc/51/21/56/1066512156.db2.gz MTXDHHBMUZVJFU-FQEVSTJZSA-N 0 0 452.523 4.924 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NCCOc1ccccc1C(F)(F)F ZINC001456115589 1066512047 /nfs/dbraw/zinc/51/20/47/1066512047.db2.gz CHOVKQAQQCGGFB-UHFFFAOYSA-N 0 0 452.654 4.695 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)CC2)n1 ZINC001456114647 1066512084 /nfs/dbraw/zinc/51/20/84/1066512084.db2.gz CNENQVLJDJOFSK-UHFFFAOYSA-N 0 0 453.892 4.533 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001546079556 1066512391 /nfs/dbraw/zinc/51/23/91/1066512391.db2.gz OWFCEKSCAOHNKK-DEOSSOPVSA-N 0 0 474.049 4.786 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCO[C@@H]2CCOC2)C1 ZINC001546079575 1066512403 /nfs/dbraw/zinc/51/24/03/1066512403.db2.gz PEJGCFNFGAFQAN-YIXXDRMTSA-N 0 0 470.658 4.977 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(OC)CCOC2)C1 ZINC001546079568 1066512580 /nfs/dbraw/zinc/51/25/80/1066512580.db2.gz PBEILWWECCLEBX-FCHUYYIVSA-N 0 0 469.413 4.596 20 0 JJADRN CC[C@@](C)(CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)C1OCCO1 ZINC001444851071 1066512577 /nfs/dbraw/zinc/51/25/77/1066512577.db2.gz ICCLXMBSCBAGIB-SANMLTNESA-N 0 0 451.567 4.521 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC(C)(C)C)c2)c1 ZINC001444850761 1066512738 /nfs/dbraw/zinc/51/27/38/1066512738.db2.gz BQZMXMHHFPLLPJ-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001456117369 1066512920 /nfs/dbraw/zinc/51/29/20/1066512920.db2.gz IBCSRHSJSZRGKT-LEWJYISDSA-N 0 0 450.348 4.636 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001444853794 1066513195 /nfs/dbraw/zinc/51/31/95/1066513195.db2.gz QEJOBISGPHBXCH-IFMALSPDSA-N 0 0 451.391 4.651 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC001456117073 1066513213 /nfs/dbraw/zinc/51/32/13/1066513213.db2.gz UBVFXKNFQYCWMO-REWPJTCUSA-N 0 0 459.656 4.695 20 0 JJADRN CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001361188095 1066513525 /nfs/dbraw/zinc/51/35/25/1066513525.db2.gz DHSVXRALKSDWKT-UHFFFAOYSA-N 0 0 456.549 4.733 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC001456119230 1066513539 /nfs/dbraw/zinc/51/35/39/1066513539.db2.gz RDKQUYUAMTYTOB-CMDGGOBGSA-N 0 0 458.392 4.989 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3C)n2CC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC001361188197 1066513667 /nfs/dbraw/zinc/51/36/67/1066513667.db2.gz NYJAWNJQNHIXIK-UHFFFAOYSA-N 0 0 495.624 4.927 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1 ZINC001361188499 1066514064 /nfs/dbraw/zinc/51/40/64/1066514064.db2.gz JTUNAALCAIBHTD-XPIZARPCSA-N 0 0 450.348 4.948 20 0 JJADRN C[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC001444863163 1066514231 /nfs/dbraw/zinc/51/42/31/1066514231.db2.gz BNOVHGFLXYEDKP-BFUOFWGJSA-N 0 0 454.901 4.768 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc1 ZINC001456121359 1066514757 /nfs/dbraw/zinc/51/47/57/1066514757.db2.gz UZRPUFXRDXKACV-RUZDIDTESA-N 0 0 452.595 4.660 20 0 JJADRN O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001444866474 1066514668 /nfs/dbraw/zinc/51/46/68/1066514668.db2.gz PKTZXUNOMXHXAR-UHFFFAOYSA-N 0 0 454.401 4.619 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1 ZINC001444870544 1066514812 /nfs/dbraw/zinc/51/48/12/1066514812.db2.gz KQTVPLDIJFTETJ-UHFFFAOYSA-N 0 0 459.593 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3C)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361190026 1066515094 /nfs/dbraw/zinc/51/50/94/1066515094.db2.gz AZFNJTYDCHAADD-UHFFFAOYSA-N 0 0 483.613 4.927 20 0 JJADRN C[C@@H](CNC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)Oc1ccccc1Cl ZINC001444874736 1066515428 /nfs/dbraw/zinc/51/54/28/1066515428.db2.gz RHUFNIGAXOLCFK-AWEZNQCLSA-N 0 0 450.992 4.542 20 0 JJADRN Cc1cc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC001444874788 1066515513 /nfs/dbraw/zinc/51/55/13/1066515513.db2.gz XAENUQGZCXONFB-LJQANCHMSA-N 0 0 458.267 4.667 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546079769 1066515718 /nfs/dbraw/zinc/51/57/18/1066515718.db2.gz SUROOLJQFMYYJU-DCFHFQCYSA-N 0 0 499.656 4.892 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546079768 1066515815 /nfs/dbraw/zinc/51/58/15/1066515815.db2.gz SUROOLJQFMYYJU-CCLHPLFOSA-N 0 0 499.656 4.892 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c(O)c1 ZINC001444878633 1066515858 /nfs/dbraw/zinc/51/58/58/1066515858.db2.gz GWDGKEUDNWYACL-UHFFFAOYSA-N 0 0 452.551 4.785 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1C(F)(F)F ZINC001456128059 1066516138 /nfs/dbraw/zinc/51/61/38/1066516138.db2.gz LHMATKCTJSCTRC-JKSUJKDBSA-N 0 0 466.504 4.623 20 0 JJADRN COc1cc(OC)cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456128069 1066516172 /nfs/dbraw/zinc/51/61/72/1066516172.db2.gz XMYRZDOVMBLDCO-OAQYLSRUSA-N 0 0 454.567 4.746 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444891105 1066516473 /nfs/dbraw/zinc/51/64/73/1066516473.db2.gz OMNCCFFUHUFVMG-SFHVURJKSA-N 0 0 453.530 4.872 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2C[C@H]2COCCO2)cc1Br ZINC001361190917 1066516630 /nfs/dbraw/zinc/51/66/30/1066516630.db2.gz BJHAODACEUCZRI-FQEVSTJZSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCC3CC3)n2Cc2ccc(F)cc2C(F)(F)F)o1 ZINC001361190843 1066516779 /nfs/dbraw/zinc/51/67/79/1066516779.db2.gz VFAKGTKABJULNB-UHFFFAOYSA-N 0 0 452.452 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)/C=C/c1ccccc1OC(F)(F)F)C2 ZINC001456129451 1066516855 /nfs/dbraw/zinc/51/68/55/1066516855.db2.gz IOCRRFOSGWUTIX-NELJVSICSA-N 0 0 454.489 4.991 20 0 JJADRN Cc1c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cnn1C1CCOCC1 ZINC001444897661 1066516884 /nfs/dbraw/zinc/51/68/84/1066516884.db2.gz XRZUBXVBQUKWQW-UHFFFAOYSA-N 0 0 450.486 4.615 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H]2CCC[C@H](O)C2)cc1Br ZINC001361191093 1066517214 /nfs/dbraw/zinc/51/72/14/1066517214.db2.gz GDABOJNZNJULJV-WMZOPIPTSA-N 0 0 463.420 4.878 20 0 JJADRN CN(C)c1cc(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)cc(C(F)(F)F)c1 ZINC001456131297 1066517302 /nfs/dbraw/zinc/51/73/02/1066517302.db2.gz BLZLXLJLGIGIHZ-UHFFFAOYSA-N 0 0 458.506 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1c(Cl)ccnc1Br)C2 ZINC001456130465 1066517368 /nfs/dbraw/zinc/51/73/68/1066517368.db2.gz LNMPXJQEULQPAE-LJQANCHMSA-N 0 0 458.784 4.503 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444904480 1066517427 /nfs/dbraw/zinc/51/74/27/1066517427.db2.gz JBEYJLBSLNOLNO-YJYMSZOUSA-N 0 0 450.457 4.955 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1OC ZINC001444910392 1066517686 /nfs/dbraw/zinc/51/76/86/1066517686.db2.gz TVBFWRYCPOMYNK-VNHYZAJKSA-N 0 0 450.457 4.808 20 0 JJADRN Cc1cc(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c(C)n1CC1CC1 ZINC001456135048 1066518110 /nfs/dbraw/zinc/51/81/10/1066518110.db2.gz DNYBBFFASJCYIK-JAQLMMITSA-N 0 0 451.611 4.870 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001456134389 1066518241 /nfs/dbraw/zinc/51/82/41/1066518241.db2.gz FJYWIQDSPZITNT-UHFFFAOYSA-N 0 0 456.896 4.936 20 0 JJADRN Cc1nn(CC(=O)N2CCC[C@H](C3CCOCC3)C2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001456135667 1066518275 /nfs/dbraw/zinc/51/82/75/1066518275.db2.gz DGDGIWICDHERHN-KRWDZBQOSA-N 0 0 452.521 4.547 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)o1 ZINC001361191455 1066518252 /nfs/dbraw/zinc/51/82/52/1066518252.db2.gz UKGHKITVAOURAZ-UHFFFAOYSA-N 0 0 499.662 4.622 20 0 JJADRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001444925224 1066518371 /nfs/dbraw/zinc/51/83/71/1066518371.db2.gz UPFXDSTZXXBQJB-QGZVFWFLSA-N 0 0 451.954 4.527 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC001444916026 1066518379 /nfs/dbraw/zinc/51/83/79/1066518379.db2.gz KDMJKVGUJMBBDQ-XMMPIXPASA-N 0 0 454.929 4.822 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(F)cc2Br)CC1 ZINC001361191761 1066518737 /nfs/dbraw/zinc/51/87/37/1066518737.db2.gz CTBFBZVWNRUKBI-AWEZNQCLSA-N 0 0 455.755 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccco3)Cc3ccc(C)s3)n2CC(=O)NC(C)C)o1 ZINC001361191598 1066518909 /nfs/dbraw/zinc/51/89/09/1066518909.db2.gz ZMRVOWJRZVXGOS-UHFFFAOYSA-N 0 0 453.568 4.541 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc43)C2)ncn1 ZINC001456139556 1066519666 /nfs/dbraw/zinc/51/96/66/1066519666.db2.gz RAOSJCHGXJGILI-QAPCUYQASA-N 0 0 456.015 4.506 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)C1(c2ccccc2Br)CC1)NC(=O)OC(C)(C)C ZINC001444938671 1066519858 /nfs/dbraw/zinc/51/98/58/1066519858.db2.gz VRZAMAABUWMLOT-GOSISDBHSA-N 0 0 453.421 4.879 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCC[C@H](C)[C@H]3CNC(=O)OC(C)(C)C)nc2)c1 ZINC001361193656 1066519991 /nfs/dbraw/zinc/51/99/91/1066519991.db2.gz VVUAXXJOMHDUAK-HTAPYJJXSA-N 0 0 455.555 4.648 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001456140406 1066520142 /nfs/dbraw/zinc/52/01/42/1066520142.db2.gz YVTLXMXEYGNCFW-ZSQTZEJBSA-N 0 0 450.579 4.973 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(C)c1 ZINC001444943722 1066520374 /nfs/dbraw/zinc/52/03/74/1066520374.db2.gz KRVRFKNTHPXSIG-UHFFFAOYSA-N 0 0 452.576 4.580 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(Cc1cccs1)C1CC1)NC(=O)OC(C)(C)C ZINC001545970492 1066520383 /nfs/dbraw/zinc/52/03/83/1066520383.db2.gz FRIKJTQCPDTAEW-KRWDZBQOSA-N 0 0 468.627 4.874 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444943665 1066520490 /nfs/dbraw/zinc/52/04/90/1066520490.db2.gz KGFDHMOMZRFBJM-ROUUACIJSA-N 0 0 454.514 4.862 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001546079972 1066520584 /nfs/dbraw/zinc/52/05/84/1066520584.db2.gz XULRPKJODCMSOJ-KDYSTLNUSA-N 0 0 469.674 4.502 20 0 JJADRN CC(C)Cn1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cn1 ZINC001444941430 1066520640 /nfs/dbraw/zinc/52/06/40/1066520640.db2.gz YJSSQSLWWUAQPF-QGZVFWFLSA-N 0 0 451.365 4.506 20 0 JJADRN CCCN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456143074 1066520720 /nfs/dbraw/zinc/52/07/20/1066520720.db2.gz MZJXEAGURQXLCV-SFHVURJKSA-N 0 0 455.020 4.504 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001444946338 1066520917 /nfs/dbraw/zinc/52/09/17/1066520917.db2.gz NDHFUXDNAJPOIK-HXUWFJFHSA-N 0 0 452.555 4.720 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCc2nccnc2C)cc1Br ZINC001361194653 1066520971 /nfs/dbraw/zinc/52/09/71/1066520971.db2.gz SRCNMFLKAKMZAM-UHFFFAOYSA-N 0 0 499.457 4.751 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)CCSCc2ccccn2)C1 ZINC001456144735 1066521114 /nfs/dbraw/zinc/52/11/14/1066521114.db2.gz LHMZRJBURKNQPQ-IBGZPJMESA-N 0 0 455.624 4.825 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCc2cc(Br)ccc2F)o1 ZINC001361194571 1066521093 /nfs/dbraw/zinc/52/10/93/1066521093.db2.gz QZOWEBFTUVTKPY-AWEZNQCLSA-N 0 0 477.378 4.995 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001456144836 1066521232 /nfs/dbraw/zinc/52/12/32/1066521232.db2.gz MFNLSNWSZDJZQK-PMACEKPBSA-N 0 0 454.571 4.526 20 0 JJADRN CCN(C(=O)c1cccc(N2CCCS2(=O)=O)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001456146807 1066521365 /nfs/dbraw/zinc/52/13/65/1066521365.db2.gz SMZOGSNMNMTSEJ-DEOSSOPVSA-N 0 0 452.551 4.617 20 0 JJADRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H](O)Cc1ccccc1Cl ZINC001444950598 1066521548 /nfs/dbraw/zinc/52/15/48/1066521548.db2.gz AOJPXFFNCVMCNJ-OFNKIYASSA-N 0 0 458.341 4.574 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCC3)n2)c(C(F)(F)F)c1 ZINC001456147737 1066521428 /nfs/dbraw/zinc/52/14/28/1066521428.db2.gz LJICRIRGJIQQIM-UHFFFAOYSA-N 0 0 451.449 4.695 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC[C@@H]2COCCO2)cc1Br ZINC001361195537 1066522149 /nfs/dbraw/zinc/52/21/49/1066522149.db2.gz CNQRHBMILFBTTH-VQIMIIECSA-N 0 0 477.447 4.694 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456147749 1066522058 /nfs/dbraw/zinc/52/20/58/1066522058.db2.gz TXPGKOCRDJDUHF-UXHICEINSA-N 0 0 458.599 4.538 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC001456148172 1066522114 /nfs/dbraw/zinc/52/21/14/1066522114.db2.gz HOPFQOLAUKRZGI-OAQYLSRUSA-N 0 0 454.508 4.906 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361195566 1066522466 /nfs/dbraw/zinc/52/24/66/1066522466.db2.gz CXHTUONUQGVKIC-ACJLOTCBSA-N 0 0 488.869 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](c4ccsc4)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361195675 1066522491 /nfs/dbraw/zinc/52/24/91/1066522491.db2.gz DTDVKPWVPKSTMW-APWZRJJASA-N 0 0 483.560 4.759 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361195912 1066522812 /nfs/dbraw/zinc/52/28/12/1066522812.db2.gz HAVUYJXQQGPIEN-TYPHKJRUSA-N 0 0 495.624 4.972 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC001456149581 1066522895 /nfs/dbraw/zinc/52/28/95/1066522895.db2.gz PNMGQWBXNRDIKO-GFCCVEGCSA-N 0 0 450.532 4.681 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)OC ZINC001545970598 1066522962 /nfs/dbraw/zinc/52/29/62/1066522962.db2.gz HVUQMOZGHVEQKT-FQEVSTJZSA-N 0 0 489.636 4.983 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1ccc(Br)cc1 ZINC001444958936 1066522990 /nfs/dbraw/zinc/52/29/90/1066522990.db2.gz XRMGKOACNFFQKW-YDHSSHFGSA-N 0 0 459.384 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)o1 ZINC001361196036 1066522983 /nfs/dbraw/zinc/52/29/83/1066522983.db2.gz JIOGUOGOAAMMEO-HNAYVOBHSA-N 0 0 471.989 4.898 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(I)cc1O ZINC001444964908 1066523545 /nfs/dbraw/zinc/52/35/45/1066523545.db2.gz YLDTUBCYPSXQIE-GOSISDBHSA-N 0 0 457.311 4.753 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361196453 1066523846 /nfs/dbraw/zinc/52/38/46/1066523846.db2.gz QCFQFUNUHVBQLR-FWQZJQRASA-N 0 0 479.488 4.942 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC001545970962 1066523891 /nfs/dbraw/zinc/52/38/91/1066523891.db2.gz POHUUBXPHMFTFT-VXKWHMMOSA-N 0 0 474.653 4.911 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 ZINC001444970615 1066524461 /nfs/dbraw/zinc/52/44/61/1066524461.db2.gz KKISATQTWYQFOE-QMHKHESXSA-N 0 0 456.514 4.989 20 0 JJADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2I)C1 ZINC001456152988 1066524509 /nfs/dbraw/zinc/52/45/09/1066524509.db2.gz XXSFWVLOKSWRDA-DGCLKSJQSA-N 0 0 450.158 4.998 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC001444974397 1066524891 /nfs/dbraw/zinc/52/48/91/1066524891.db2.gz JMIPISUXELBAFB-UFYCRDLUSA-N 0 0 450.421 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccc(C)n(C)c2=O)cc1Br ZINC001361197228 1066525370 /nfs/dbraw/zinc/52/53/70/1066525370.db2.gz YLQWPTAPUPFINY-IYBDPMFKSA-N 0 0 484.442 4.554 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361197090 1066525402 /nfs/dbraw/zinc/52/54/02/1066525402.db2.gz XQQGJWXYXHEKOS-HDICACEKSA-N 0 0 488.474 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361197239 1066525447 /nfs/dbraw/zinc/52/54/47/1066525447.db2.gz YOEZRSHROLRRLR-KSSFIOAISA-N 0 0 486.642 4.512 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C)COCc2ccccc2)o1 ZINC001361197894 1066525987 /nfs/dbraw/zinc/52/59/87/1066525987.db2.gz AQJKLGBYJCWNPJ-NRFANRHFSA-N 0 0 493.652 4.783 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc4c(ccc(Br)c4C)[nH]3)ccc2NC1=O ZINC001444981729 1066526096 /nfs/dbraw/zinc/52/60/96/1066526096.db2.gz AZQWRGJDHKGGOC-CWTRNNRKSA-N 0 0 456.340 4.839 20 0 JJADRN CCCCCC[C@](C)(NC(=O)[C@@H](C)c1ccc(I)cc1)C(=O)OCC ZINC001456161584 1066526166 /nfs/dbraw/zinc/52/61/66/1066526166.db2.gz HDBXDPQSGDSEDV-YWZLYKJASA-N 0 0 459.368 4.803 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1I ZINC001456161549 1066526281 /nfs/dbraw/zinc/52/62/81/1066526281.db2.gz GMQHFOWANSGKRW-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCCc2ccccc2F)o1 ZINC001361198023 1066526348 /nfs/dbraw/zinc/52/63/48/1066526348.db2.gz FUAMHXHTGMQALD-FQEVSTJZSA-N 0 0 481.616 4.996 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001444988050 1066526360 /nfs/dbraw/zinc/52/63/60/1066526360.db2.gz AHFRWMIBKKUMFH-GOEBONIOSA-N 0 0 450.992 4.804 20 0 JJADRN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444986505 1066526557 /nfs/dbraw/zinc/52/65/57/1066526557.db2.gz LJPTUPSCPWUXCU-LRYHZEFKSA-N 0 0 450.579 4.576 20 0 JJADRN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444986500 1066526584 /nfs/dbraw/zinc/52/65/84/1066526584.db2.gz LJPTUPSCPWUXCU-FRBSRZPYSA-N 0 0 450.579 4.576 20 0 JJADRN C[C@@H](C(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)n1nnc(-c2ccccc2)n1 ZINC001456164040 1066526666 /nfs/dbraw/zinc/52/66/66/1066526666.db2.gz LEVFPHHLVHTJOA-INIZCTEOSA-N 0 0 459.472 4.771 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2[C@@H]2C[C@@H]2C)cc1Br ZINC001361198168 1066526925 /nfs/dbraw/zinc/52/69/25/1066526925.db2.gz KOUKBWVYVRXBMV-BLLLJJGKSA-N 0 0 471.321 4.945 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Sc2ccccc2)cc1 ZINC001456168285 1066526901 /nfs/dbraw/zinc/52/69/01/1066526901.db2.gz DVMBVDWJZCNZFY-SFHVURJKSA-N 0 0 454.617 4.845 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccc(F)nc3Br)cc12 ZINC001456166493 1066526919 /nfs/dbraw/zinc/52/69/19/1066526919.db2.gz RDLIWIQIUOESTR-UHFFFAOYSA-N 0 0 459.344 4.930 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1n[nH]c(-c2ccccc2)c1Br ZINC001444988986 1066526946 /nfs/dbraw/zinc/52/69/46/1066526946.db2.gz SGXWQQQYIGPAHC-UHFFFAOYSA-N 0 0 456.731 4.990 20 0 JJADRN O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(Br)cc2c1OCCO2 ZINC001456166307 1066527032 /nfs/dbraw/zinc/52/70/32/1066527032.db2.gz VKUJCEFWTRLWAO-FQEVSTJZSA-N 0 0 454.320 4.770 20 0 JJADRN O=C(NCc1ccccc1Sc1ccccc1)c1sccc1S(=O)(=O)N1CCCC1 ZINC001456168271 1066527168 /nfs/dbraw/zinc/52/71/68/1066527168.db2.gz DRHGFCDHKTUUJI-UHFFFAOYSA-N 0 0 458.630 4.614 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)[C@]3(CNC(=O)OC(C)(C)C)CCCOC3)ccc2C)c1 ZINC001361198751 1066527599 /nfs/dbraw/zinc/52/75/99/1066527599.db2.gz BXSAINBMFHSNMD-VWLOTQADSA-N 0 0 455.555 4.751 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545971282 1066527580 /nfs/dbraw/zinc/52/75/80/1066527580.db2.gz UXMPPCWRSVJAMD-RBBKRZOGSA-N 0 0 494.615 4.852 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)c4ccc(F)cc4)CC3)n2CCCOC(C)C)o1 ZINC001361198580 1066527622 /nfs/dbraw/zinc/52/76/22/1066527622.db2.gz XAOWBPHWAGBTMU-UHFFFAOYSA-N 0 0 454.546 4.900 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2ccc(F)cc2C)o1 ZINC001361198621 1066527641 /nfs/dbraw/zinc/52/76/41/1066527641.db2.gz YGEJCRGSWUEWDL-UHFFFAOYSA-N 0 0 467.589 4.620 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cc1 ZINC001444995413 1066527929 /nfs/dbraw/zinc/52/79/29/1066527929.db2.gz ATJFJIBCZHLFPT-UHFFFAOYSA-N 0 0 455.470 4.515 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2NC1=O ZINC001444993916 1066527999 /nfs/dbraw/zinc/52/79/99/1066527999.db2.gz YPJYWLBGSPBKQA-WZONZLPQSA-N 0 0 459.546 4.878 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCCCn2ccnc2C)o1 ZINC001361199188 1066528062 /nfs/dbraw/zinc/52/80/62/1066528062.db2.gz ACERESVVUXIIFF-TZIWHRDSSA-N 0 0 497.644 4.571 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(Cl)c(Cl)c1Cl ZINC001456171988 1066528368 /nfs/dbraw/zinc/52/83/68/1066528368.db2.gz LWKKWWAFNJEEIK-SNVBAGLBSA-N 0 0 451.759 4.515 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C)s1)NC(=O)OC(C)(C)C ZINC001545971345 1066528456 /nfs/dbraw/zinc/52/84/56/1066528456.db2.gz WCMQSZZBXOLAQZ-QGZVFWFLSA-N 0 0 456.616 4.650 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C)s1)NC(=O)OC(C)(C)C ZINC001545971344 1066528465 /nfs/dbraw/zinc/52/84/65/1066528465.db2.gz WCMQSZZBXOLAQZ-KRWDZBQOSA-N 0 0 456.616 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361199531 1066528599 /nfs/dbraw/zinc/52/85/99/1066528599.db2.gz FXWNSQADXWBBST-MCMMXHMISA-N 0 0 481.519 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)o1 ZINC001361199897 1066528848 /nfs/dbraw/zinc/52/88/48/1066528848.db2.gz KGFTWXVJWSTDCH-MSOLQXFVSA-N 0 0 455.559 4.536 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC001456175456 1066528889 /nfs/dbraw/zinc/52/88/89/1066528889.db2.gz BPNDWOULZPEFKI-ZDUSSCGKSA-N 0 0 458.049 4.614 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC001456175898 1066528962 /nfs/dbraw/zinc/52/89/62/1066528962.db2.gz AKELHDGMJDVISQ-WBMJQRKESA-N 0 0 452.045 4.897 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)o1 ZINC001361199904 1066528993 /nfs/dbraw/zinc/52/89/93/1066528993.db2.gz KJPVZNDLENHEJT-DOTOQJQBSA-N 0 0 465.545 4.631 20 0 JJADRN COc1cc(CC(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc(OC)c1O ZINC001444999991 1066529081 /nfs/dbraw/zinc/52/90/81/1066529081.db2.gz MFVSCYNGBRGRBS-QHCPKHFHSA-N 0 0 459.514 4.858 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccccc2Cl)C1 ZINC001445005663 1066529139 /nfs/dbraw/zinc/52/91/39/1066529139.db2.gz AWCJOBORNYIRBC-HUUCEWRRSA-N 0 0 450.954 4.860 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)CCCc2c(F)cccc2F)c2ccc(Cl)cc2)CCO1 ZINC001456176315 1066529561 /nfs/dbraw/zinc/52/95/61/1066529561.db2.gz VTRWNSBEHKRWKC-QFIPXVFZSA-N 0 0 450.957 4.909 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)CCO1 ZINC001456177476 1066529878 /nfs/dbraw/zinc/52/98/78/1066529878.db2.gz YYEHKGPBGFMIPD-HXUWFJFHSA-N 0 0 454.920 4.870 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361200204 1066529996 /nfs/dbraw/zinc/52/99/96/1066529996.db2.gz PPKAOAADCCGMCT-KNBMTAEXSA-N 0 0 498.628 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361200242 1066530078 /nfs/dbraw/zinc/53/00/78/1066530078.db2.gz QJMFILIXJQDISS-HXUWFJFHSA-N 0 0 482.478 4.862 20 0 JJADRN CC(C)(C)c1nc2ccc(NC(=O)[C@](C)(O)CN3c4ccccc4C(C)(C)C3=O)cc2s1 ZINC001445011385 1066530029 /nfs/dbraw/zinc/53/00/29/1066530029.db2.gz YYLBGCUWCUMCQF-RUZDIDTESA-N 0 0 451.592 4.608 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC001445011295 1066530100 /nfs/dbraw/zinc/53/01/00/1066530100.db2.gz SNWZBKFSWZCERH-HNNXBMFYSA-N 0 0 457.493 4.602 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC001445026765 1066530474 /nfs/dbraw/zinc/53/04/74/1066530474.db2.gz FUDIXDJLCVVCPD-INYSMAPRSA-N 0 0 450.579 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)o1 ZINC001361200396 1066530475 /nfs/dbraw/zinc/53/04/75/1066530475.db2.gz VLTMJBSQHFNYSC-CQSZACIVSA-N 0 0 457.497 4.538 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCc2csc(C)n2)o1 ZINC001361200417 1066530543 /nfs/dbraw/zinc/53/05/43/1066530543.db2.gz WBBRSIQGKXGGFK-AEFFLSMTSA-N 0 0 486.642 4.594 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)c(C)n2n1 ZINC001456178667 1066530486 /nfs/dbraw/zinc/53/04/86/1066530486.db2.gz OENLKNVLYMAXAF-UHFFFAOYSA-N 0 0 453.974 4.505 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CC[C@@H](CSc4ccccc4)C3)nc2C1 ZINC001445024290 1066530530 /nfs/dbraw/zinc/53/05/30/1066530530.db2.gz DZUOVVGLYRQPDO-GOSISDBHSA-N 0 0 453.608 4.629 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001456180357 1066530879 /nfs/dbraw/zinc/53/08/79/1066530879.db2.gz ZWKJTCGWSPSPST-MZTNWIODSA-N 0 0 459.999 4.513 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361201452 1066530918 /nfs/dbraw/zinc/53/09/18/1066530918.db2.gz BMQARCFJZNSPRV-GTGNFJGRSA-N 0 0 465.461 4.552 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2cnc3ncc(Br)cc3c2)c1 ZINC001456180119 1066531058 /nfs/dbraw/zinc/53/10/58/1066531058.db2.gz TVSUMHPRCVBYCH-UHFFFAOYSA-N 0 0 458.312 4.636 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H]2CCc3ccc(F)cc32)S(=O)(=O)c2ccccc2)cc1 ZINC001456181741 1066531426 /nfs/dbraw/zinc/53/14/26/1066531426.db2.gz AIRBEKLFOYPODC-DEOSSOPVSA-N 0 0 452.551 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)Nc1nc(Cc2ccccc2)ns1 ZINC001456181480 1066531537 /nfs/dbraw/zinc/53/15/37/1066531537.db2.gz UBWWASCWUZOMBF-IBGZPJMESA-N 0 0 450.564 4.950 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@@H]2CCc3ccc(F)cc32)S(=O)(=O)c2ccccc2)cc1 ZINC001456181748 1066531801 /nfs/dbraw/zinc/53/18/01/1066531801.db2.gz AIRBEKLFOYPODC-XMMPIXPASA-N 0 0 452.551 4.523 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCc2ccc(F)c3c2CCCC3)C1 ZINC001445039921 1066532088 /nfs/dbraw/zinc/53/20/88/1066532088.db2.gz PTJNTBKHYNMTDJ-SFHVURJKSA-N 0 0 456.524 4.677 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361202476 1066532355 /nfs/dbraw/zinc/53/23/55/1066532355.db2.gz PECHEMDGBRIHDY-MRXNPFEDSA-N 0 0 470.442 4.897 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cs1 ZINC001445042203 1066532400 /nfs/dbraw/zinc/53/24/00/1066532400.db2.gz BYCFKLVCBXUSKO-VQTJNVASSA-N 0 0 459.656 4.784 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cs1 ZINC001445042196 1066532619 /nfs/dbraw/zinc/53/26/19/1066532619.db2.gz BYCFKLVCBXUSKO-PMACEKPBSA-N 0 0 459.656 4.784 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ccccc4CO)CC3)n2CCOCCC(C)C)o1 ZINC001361202629 1066532868 /nfs/dbraw/zinc/53/28/68/1066532868.db2.gz RHPXTRUOGAHVAY-UHFFFAOYSA-N 0 0 452.599 4.786 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccccc3C)c2)cc1 ZINC001456188488 1066533033 /nfs/dbraw/zinc/53/30/33/1066533033.db2.gz WZKOCZXPYPEMEC-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)c1cc(F)ccc1O ZINC001445044188 1066533260 /nfs/dbraw/zinc/53/32/60/1066533260.db2.gz DKYYELKWHNCPNA-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCS(=O)(=O)Cc2ccccc2)o1 ZINC001361203372 1066533282 /nfs/dbraw/zinc/53/32/82/1066533282.db2.gz ZUMCVQNZAIJBFU-IBGZPJMESA-N 0 0 470.639 4.724 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4ccco4)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361203086 1066533373 /nfs/dbraw/zinc/53/33/73/1066533373.db2.gz WUBQZYDNWJFVHE-RTBURBONSA-N 0 0 469.586 4.983 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001456189043 1066533457 /nfs/dbraw/zinc/53/34/57/1066533457.db2.gz UZFLXVRDGLUJJK-FGSXEWAUSA-N 0 0 452.998 4.975 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCN(C)C(=O)c2ccncc2)c2ccc(F)cc2Cl)cc1 ZINC001456188710 1066533463 /nfs/dbraw/zinc/53/34/63/1066533463.db2.gz QIRDHTREDVMKIL-DEOSSOPVSA-N 0 0 453.945 4.941 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361203881 1066533643 /nfs/dbraw/zinc/53/36/43/1066533643.db2.gz DVARFHRKHOLVIJ-QGZVFWFLSA-N 0 0 457.420 4.670 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001456193596 1066533958 /nfs/dbraw/zinc/53/39/58/1066533958.db2.gz HLECUKAWSKBGSI-UHFFFAOYSA-N 0 0 454.523 4.522 20 0 JJADRN CN(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2NCCc2ccc(Cl)cc2)cc1 ZINC001445051709 1066534216 /nfs/dbraw/zinc/53/42/16/1066534216.db2.gz CTKHPZZFSPIXBR-UHFFFAOYSA-N 0 0 450.970 4.747 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2 ZINC001456196879 1066534665 /nfs/dbraw/zinc/53/46/65/1066534665.db2.gz OGRWYHFBKKUCCS-NVXWUHKLSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001445055941 1066534701 /nfs/dbraw/zinc/53/47/01/1066534701.db2.gz YSBQNPFBPHTWJL-AREMUKBSSA-N 0 0 454.567 4.698 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)cc1 ZINC001456197819 1066535218 /nfs/dbraw/zinc/53/52/18/1066535218.db2.gz IZRWSRYODFBBJU-UHFFFAOYSA-N 0 0 459.631 4.555 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@H](c3ccccc3C)C2)cnn1-c1cc(F)c(OC)cc1F ZINC001445057711 1066535303 /nfs/dbraw/zinc/53/53/03/1066535303.db2.gz LXVYKPKVWSVXPL-DEOSSOPVSA-N 0 0 455.505 4.634 20 0 JJADRN O=C(/C=C\C1CCOCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445060108 1066535795 /nfs/dbraw/zinc/53/57/95/1066535795.db2.gz ZRROIGJZUSVKIH-YVMONPNESA-N 0 0 455.363 4.716 20 0 JJADRN Cc1nc(NC(=O)c2ccc(Cl)c(Br)c2)ccc1I ZINC001361205055 1066535986 /nfs/dbraw/zinc/53/59/86/1066535986.db2.gz RNVAUFZGTLALRO-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2)o1 ZINC001361205364 1066536485 /nfs/dbraw/zinc/53/64/85/1066536485.db2.gz HWOFGUQJGGCUMO-IBGZPJMESA-N 0 0 469.561 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCCC(C)C)cc1Br ZINC001361205413 1066536872 /nfs/dbraw/zinc/53/68/72/1066536872.db2.gz IPDQYWZYDASFRS-FQEVSTJZSA-N 0 0 490.490 4.611 20 0 JJADRN CCOc1ccc(CC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 ZINC001456202372 1066536896 /nfs/dbraw/zinc/53/68/96/1066536896.db2.gz LAFPVZGFNRKHNG-IDISGSTGSA-N 0 0 450.623 4.640 20 0 JJADRN C[C@@H](C(=O)N1CC(OCCCc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445079351 1066536825 /nfs/dbraw/zinc/53/68/25/1066536825.db2.gz MIJDFQTVSYSWBK-YKSBVNFPSA-N 0 0 452.595 4.749 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)CC2)cc1 ZINC001445080958 1066536936 /nfs/dbraw/zinc/53/69/36/1066536936.db2.gz IOMANQPESSGUES-UHFFFAOYSA-N 0 0 458.524 4.991 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)NCCc1ccc(Br)cc1F ZINC001456207304 1066537632 /nfs/dbraw/zinc/53/76/32/1066537632.db2.gz TZIHVUIZRLHHEX-UHFFFAOYSA-N 0 0 458.327 4.905 20 0 JJADRN CCCc1nc(C(=O)NCc2ccc(Br)c(F)c2)nn1-c1ccccc1Cl ZINC001456206331 1066537715 /nfs/dbraw/zinc/53/77/15/1066537715.db2.gz ZSSLPMBWYJJTGG-UHFFFAOYSA-N 0 0 451.727 4.705 20 0 JJADRN CC(C)c1c(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cnn1-c1ccccc1 ZINC001445085345 1066537925 /nfs/dbraw/zinc/53/79/25/1066537925.db2.gz BXLHZAVONRYGMI-GOSISDBHSA-N 0 0 450.558 4.587 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001456210912 1066538214 /nfs/dbraw/zinc/53/82/14/1066538214.db2.gz DIKSCHPYFMNMEI-UHFFFAOYSA-N 0 0 457.939 4.683 20 0 JJADRN Cc1cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)ccc1C(=O)NC(C)C ZINC001456210739 1066538224 /nfs/dbraw/zinc/53/82/24/1066538224.db2.gz JUVYYEYVCJBHCX-UHFFFAOYSA-N 0 0 457.574 4.758 20 0 JJADRN O=C(NCC1CCSCC1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001456210657 1066538241 /nfs/dbraw/zinc/53/82/41/1066538241.db2.gz IKGWLITZWRRNIU-UHFFFAOYSA-N 0 0 454.852 4.750 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)o1 ZINC001361206329 1066538355 /nfs/dbraw/zinc/53/83/55/1066538355.db2.gz KCRKWHROBMNMMG-FTRWYGJKSA-N 0 0 459.384 4.957 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)o1 ZINC001361205984 1066538411 /nfs/dbraw/zinc/53/84/11/1066538411.db2.gz ZTSHXWFSBRHVGU-OMCJBDSBSA-N 0 0 463.582 4.911 20 0 JJADRN C[C@H](NC(=O)/C=C/c1ccccc1OC(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445091773 1066538549 /nfs/dbraw/zinc/53/85/49/1066538549.db2.gz KCNCBMQFTLFLNQ-PPYMECGQSA-N 0 0 452.448 4.576 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001456213983 1066538635 /nfs/dbraw/zinc/53/86/35/1066538635.db2.gz ONNAKUSWMBGQQP-UHFFFAOYSA-N 0 0 456.970 4.800 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC(OCCCOc3ccccc3)C2)s1)Nc1ccccc1 ZINC001445091149 1066538679 /nfs/dbraw/zinc/53/86/79/1066538679.db2.gz PIGOFNRHWURGSC-UHFFFAOYSA-N 0 0 451.548 4.702 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 ZINC001445096310 1066539289 /nfs/dbraw/zinc/53/92/89/1066539289.db2.gz ZAOJXNAICDPDBE-UHFFFAOYSA-N 0 0 459.974 4.570 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)ccc1C(=O)NC(C)C ZINC001456217275 1066539546 /nfs/dbraw/zinc/53/95/46/1066539546.db2.gz UMMYHYWXMSPLNJ-UHFFFAOYSA-N 0 0 454.933 4.852 20 0 JJADRN Cc1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001456217584 1066539608 /nfs/dbraw/zinc/53/96/08/1066539608.db2.gz BGNQVRMMUHXPSP-HNNXBMFYSA-N 0 0 453.370 4.569 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)c2ncc(C)s2)o1 ZINC001361207117 1066539716 /nfs/dbraw/zinc/53/97/16/1066539716.db2.gz JNCFGJWNODMBNB-YJBOKZPZSA-N 0 0 486.642 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2OC(F)F)o1 ZINC001361207176 1066539738 /nfs/dbraw/zinc/53/97/38/1066539738.db2.gz LVXVDJNPSLONMP-QGZVFWFLSA-N 0 0 489.523 4.600 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)s2)cc1 ZINC001456221375 1066539959 /nfs/dbraw/zinc/53/99/59/1066539959.db2.gz XAUPNLAPCAFBSW-SFHVURJKSA-N 0 0 456.612 4.803 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CC1 ZINC001456221416 1066540018 /nfs/dbraw/zinc/54/00/18/1066540018.db2.gz XIWNBYMQOGQJBQ-UHFFFAOYSA-N 0 0 458.381 4.879 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccccc3NCc3ccco3)ccc2C)ccn1 ZINC001445120251 1066540233 /nfs/dbraw/zinc/54/02/33/1066540233.db2.gz IGDVUVRBGZLBEU-UHFFFAOYSA-N 0 0 456.502 4.999 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)cc1C ZINC001456222043 1066540406 /nfs/dbraw/zinc/54/04/06/1066540406.db2.gz ZOFLDSIXJPUWMW-UHFFFAOYSA-N 0 0 456.652 4.676 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001456225141 1066540505 /nfs/dbraw/zinc/54/05/05/1066540505.db2.gz MDYUKAYAJMFNDJ-UHFFFAOYSA-N 0 0 455.498 4.970 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccn2ncc(Br)c12 ZINC001456228135 1066540924 /nfs/dbraw/zinc/54/09/24/1066540924.db2.gz TWGLZSKEKZMDHZ-UHFFFAOYSA-N 0 0 450.358 4.885 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cc(CCc3ccccc3)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001361208301 1066540979 /nfs/dbraw/zinc/54/09/79/1066540979.db2.gz PPODDTXIOAJYGU-NTKDMRAZSA-N 0 0 451.929 4.817 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001456237566 1066541629 /nfs/dbraw/zinc/54/16/29/1066541629.db2.gz IPBVXHCNEPWGLD-NRFANRHFSA-N 0 0 452.352 4.934 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCOC(C)C)cc1Br ZINC001361209066 1066541702 /nfs/dbraw/zinc/54/17/02/1066541702.db2.gz KILRLEVEBUVRRT-LJQANCHMSA-N 0 0 465.436 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(c4ccccc4Cl)CC3)n2CCCCCCO)o1 ZINC001361208990 1066541748 /nfs/dbraw/zinc/54/17/48/1066541748.db2.gz IYDIYQFDGJYVHG-UHFFFAOYSA-N 0 0 458.990 4.541 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1Cl)NC(=O)OC(C)(C)C ZINC001545972405 1066542364 /nfs/dbraw/zinc/54/23/64/1066542364.db2.gz FNOLDFTWVCQUAU-IBGZPJMESA-N 0 0 471.005 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCCOCc2ccccc2)o1 ZINC001361209368 1066542624 /nfs/dbraw/zinc/54/26/24/1066542624.db2.gz VOZXXLOLMOITDQ-UHFFFAOYSA-N 0 0 478.515 4.737 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cccnc3-n3cc(Br)cn3)cc2)nc1 ZINC001456240112 1066542810 /nfs/dbraw/zinc/54/28/10/1066542810.db2.gz JEBNFDJBBPSKQJ-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NC[C@@H]2OCCc3ccccc32)cs1 ZINC001456240535 1066542853 /nfs/dbraw/zinc/54/28/53/1066542853.db2.gz CCASXGHZGGSBII-IBGZPJMESA-N 0 0 459.365 4.625 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cc(Br)ccc1F ZINC001361209566 1066542709 /nfs/dbraw/zinc/54/27/09/1066542709.db2.gz CABKUYPOTANLKE-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2CC(C)C)cc1Br ZINC001361209521 1066542746 /nfs/dbraw/zinc/54/27/46/1066542746.db2.gz ZYRPGAQIAVCGOE-GOSISDBHSA-N 0 0 456.388 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361209327 1066542781 /nfs/dbraw/zinc/54/27/81/1066542781.db2.gz UNUUHOWZEJCZRR-NRFANRHFSA-N 0 0 485.629 4.665 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1 ZINC001456240572 1066542874 /nfs/dbraw/zinc/54/28/74/1066542874.db2.gz CKCKXAFUZRCCGG-UHFFFAOYSA-N 0 0 457.983 4.841 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)n2CCCOC(C)C)o1 ZINC001361210135 1066543300 /nfs/dbraw/zinc/54/33/00/1066543300.db2.gz BMXZFAXSLKKVSP-SFHVURJKSA-N 0 0 487.004 4.565 20 0 JJADRN CC(C)(NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1 ZINC001445173948 1066543326 /nfs/dbraw/zinc/54/33/26/1066543326.db2.gz MRUZNCQHEDZEFE-JOCHJYFZSA-N 0 0 453.489 4.908 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2)s1 ZINC001445174891 1066543458 /nfs/dbraw/zinc/54/34/58/1066543458.db2.gz OCKNZLZGPZTXRY-QGZVFWFLSA-N 0 0 458.461 4.782 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@@H](C(C)C)C2)cnn1C ZINC001361210166 1066543817 /nfs/dbraw/zinc/54/38/17/1066543817.db2.gz CIBZIFUSGYVQKL-LJQANCHMSA-N 0 0 471.447 4.979 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)cc1)C(C)C ZINC001456243380 1066543850 /nfs/dbraw/zinc/54/38/50/1066543850.db2.gz ACPBLKJEHMKEFX-UHFFFAOYSA-N 0 0 452.505 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2CCSC(C)C)cc1Br ZINC001361210610 1066544203 /nfs/dbraw/zinc/54/42/03/1066544203.db2.gz PLNOIZSRLNHAMZ-NRFANRHFSA-N 0 0 465.461 4.774 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC001445183387 1066544331 /nfs/dbraw/zinc/54/43/31/1066544331.db2.gz PXKLUNMRCXBION-UHFFFAOYSA-N 0 0 458.990 4.982 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)C2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545972479 1066544346 /nfs/dbraw/zinc/54/43/46/1066544346.db2.gz GYWDNAKNCWXXTK-RBUKOAKNSA-N 0 0 456.635 4.603 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001456244502 1066544291 /nfs/dbraw/zinc/54/42/91/1066544291.db2.gz KFPIELIMINPNJR-FCHUYYIVSA-N 0 0 451.485 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4c(C)cccc4C3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361210928 1066544637 /nfs/dbraw/zinc/54/46/37/1066544637.db2.gz VXCBFBHVEWZPEY-UHFFFAOYSA-N 0 0 451.571 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4ccccc4CC3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361210738 1066544643 /nfs/dbraw/zinc/54/46/43/1066544643.db2.gz SZZXDAIZUWUXOJ-UHFFFAOYSA-N 0 0 465.598 4.709 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001361211288 1066545042 /nfs/dbraw/zinc/54/50/42/1066545042.db2.gz ZVNABSUCOKMEPA-KRWDZBQOSA-N 0 0 493.400 4.896 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3csc(-c4ccc(C(C)C)cc4)n3)C2)c1 ZINC001361211186 1066545106 /nfs/dbraw/zinc/54/51/06/1066545106.db2.gz HZKQXZYJHWAHPM-IBGZPJMESA-N 0 0 451.592 4.959 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)s2)c1 ZINC001456246765 1066545174 /nfs/dbraw/zinc/54/51/74/1066545174.db2.gz GLHIBDOWTFXRKQ-UHFFFAOYSA-N 0 0 456.518 4.591 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001456246247 1066545276 /nfs/dbraw/zinc/54/52/76/1066545276.db2.gz SVLZEQRCRPMMHO-VQTJNVASSA-N 0 0 471.981 4.976 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1)OCC(F)(F)F ZINC001456247091 1066545288 /nfs/dbraw/zinc/54/52/88/1066545288.db2.gz QTYPQZWQTKWTPZ-UHFFFAOYSA-N 0 0 450.457 4.661 20 0 JJADRN COc1cccc(N(CC(=O)N2CCCC[C@H]2c2noc(C(C)C)n2)C(=O)OC(C)(C)C)c1 ZINC001445213146 1066545328 /nfs/dbraw/zinc/54/53/28/1066545328.db2.gz UKVRZTJQCWHCNA-IBGZPJMESA-N 0 0 458.559 4.697 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545972588 1066545342 /nfs/dbraw/zinc/54/53/42/1066545342.db2.gz IVFVCRFMGDOJKH-NNWRFLSQSA-N 0 0 478.641 4.969 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cn1 ZINC001456247261 1066545344 /nfs/dbraw/zinc/54/53/44/1066545344.db2.gz KWTUECRRWXQEIV-OAQYLSRUSA-N 0 0 452.555 4.672 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2)cs1 ZINC001445213735 1066545365 /nfs/dbraw/zinc/54/53/65/1066545365.db2.gz LOCQWKVHYJHPLV-MRXNPFEDSA-N 0 0 455.546 4.536 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(Br)cnc1F ZINC001456248294 1066545720 /nfs/dbraw/zinc/54/57/20/1066545720.db2.gz SNVMTXRPDPENPM-UHFFFAOYSA-N 0 0 459.315 4.713 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C ZINC001456248066 1066545762 /nfs/dbraw/zinc/54/57/62/1066545762.db2.gz DHOPCFWCRUAGPT-UONOGXRCSA-N 0 0 458.475 4.571 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)ccn1 ZINC001456247679 1066545770 /nfs/dbraw/zinc/54/57/70/1066545770.db2.gz VHNGRVITXLUCOV-UHFFFAOYSA-N 0 0 451.376 4.704 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(C)(COC)CC1)Oc1cccc(F)c1 ZINC001545972615 1066545730 /nfs/dbraw/zinc/54/57/30/1066545730.db2.gz JGQFSNUROYIMMQ-NRFANRHFSA-N 0 0 453.562 4.590 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(C)CCCS2)o1 ZINC001361211888 1066545887 /nfs/dbraw/zinc/54/58/87/1066545887.db2.gz CLOFZTNBQARHPJ-KOSHJBKYSA-N 0 0 459.660 4.511 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(C)CCCS2)o1 ZINC001361211889 1066545974 /nfs/dbraw/zinc/54/59/74/1066545974.db2.gz CLOFZTNBQARHPJ-MHECFPHRSA-N 0 0 459.660 4.511 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(C)CCCS2)o1 ZINC001361211887 1066545988 /nfs/dbraw/zinc/54/59/88/1066545988.db2.gz CLOFZTNBQARHPJ-HOYKHHGWSA-N 0 0 459.660 4.511 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001456250128 1066546099 /nfs/dbraw/zinc/54/60/99/1066546099.db2.gz UEIRGWXCELOAMQ-HKRNCWMRSA-N 0 0 450.560 4.694 20 0 JJADRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456251473 1066546131 /nfs/dbraw/zinc/54/61/31/1066546131.db2.gz QEPZTZHZECIUBJ-MPBGBICISA-N 0 0 458.301 4.808 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001456249688 1066546164 /nfs/dbraw/zinc/54/61/64/1066546164.db2.gz KLTANZHULPPBHX-UHFFFAOYSA-N 0 0 455.526 4.851 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC001456249871 1066546204 /nfs/dbraw/zinc/54/62/04/1066546204.db2.gz SWINENWJCGZPJZ-UHFFFAOYSA-N 0 0 454.495 4.804 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)C(C)(C)Cc3ccc(Cl)cc3)CC2)cs1 ZINC001445216386 1066546264 /nfs/dbraw/zinc/54/62/64/1066546264.db2.gz PUZIVRMDXMWYON-QGZVFWFLSA-N 0 0 450.048 4.807 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC001456251487 1066546573 /nfs/dbraw/zinc/54/65/73/1066546573.db2.gz WIXUKBQOIAMBHY-NHCUHLMSSA-N 0 0 454.596 4.761 20 0 JJADRN O=C(CNC(=O)CC1CCCCC1)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC001445220591 1066546572 /nfs/dbraw/zinc/54/65/72/1066546572.db2.gz XPIUUUWTVDLOFX-UHFFFAOYSA-N 0 0 456.974 4.687 20 0 JJADRN COc1cc(CCC(=O)Nc2cc(Br)ccc2NC(C)C)cc(OC)c1OC ZINC001445221179 1066546584 /nfs/dbraw/zinc/54/65/84/1066546584.db2.gz IXSXINGZVQOFPQ-UHFFFAOYSA-N 0 0 451.361 4.867 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC001456251410 1066546628 /nfs/dbraw/zinc/54/66/28/1066546628.db2.gz WGPNYBITPPEVOU-LEWJYISDSA-N 0 0 458.990 4.639 20 0 JJADRN COc1cccc(C(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c2cccc(OC)c2)c1 ZINC001445221262 1066546645 /nfs/dbraw/zinc/54/66/45/1066546645.db2.gz KVPUCVBWNCLLET-JOCHJYFZSA-N 0 0 459.464 4.532 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCCC2(C)C)cc1Br ZINC001361212180 1066546923 /nfs/dbraw/zinc/54/69/23/1066546923.db2.gz ISVWHYDYWFVHJO-IEBWSBKVSA-N 0 0 488.474 4.934 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC001445223064 1066547164 /nfs/dbraw/zinc/54/71/64/1066547164.db2.gz UNQJNVJEHCEPLY-WMZOPIPTSA-N 0 0 472.973 4.761 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)NC[C@@H]1OCCc2ccccc21 ZINC001456253376 1066547405 /nfs/dbraw/zinc/54/74/05/1066547405.db2.gz QAHAVKVDWLEILG-HNNXBMFYSA-N 0 0 459.203 4.636 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)NC[C@H]1OCCc2ccccc21 ZINC001456253378 1066547420 /nfs/dbraw/zinc/54/74/20/1066547420.db2.gz QAHAVKVDWLEILG-OAHLLOKOSA-N 0 0 459.203 4.636 20 0 JJADRN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001456253686 1066547453 /nfs/dbraw/zinc/54/74/53/1066547453.db2.gz WJSFLHVBGBWERA-KGLIPLIRSA-N 0 0 450.322 4.559 20 0 JJADRN Cn1nc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)c(Br)c1C(F)(F)F ZINC001456254101 1066547466 /nfs/dbraw/zinc/54/74/66/1066547466.db2.gz SSXWXWITUHUBIR-GFCCVEGCSA-N 0 0 458.303 4.977 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229862 1066547717 /nfs/dbraw/zinc/54/77/17/1066547717.db2.gz DAEIFOOUIRXUCN-IKJKTIMPSA-N 0 0 457.423 4.621 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc(F)c(F)cc2I)c(C)n1 ZINC001361212825 1066547829 /nfs/dbraw/zinc/54/78/29/1066547829.db2.gz KHYUASRLBVGTCH-VIFPVBQESA-N 0 0 459.278 4.671 20 0 JJADRN CCc1ccc(CC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC001361213361 1066547845 /nfs/dbraw/zinc/54/78/45/1066547845.db2.gz QSAYDYADSVENPZ-UHFFFAOYSA-N 0 0 452.979 4.643 20 0 JJADRN O=C(OCc1ccccc1)N1C[C@H](F)C[C@@H]1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001456256282 1066547944 /nfs/dbraw/zinc/54/79/44/1066547944.db2.gz YZQJEXNNPMZGMN-DHIUTWEWSA-N 0 0 458.961 4.870 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(C)c2C)cc1 ZINC001456254885 1066548040 /nfs/dbraw/zinc/54/80/40/1066548040.db2.gz KCYXYFYGNHZNOH-LJQANCHMSA-N 0 0 452.576 4.628 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)cc1 ZINC001445231829 1066548113 /nfs/dbraw/zinc/54/81/13/1066548113.db2.gz IWMWMYSKAFGQOI-LJQANCHMSA-N 0 0 455.967 4.563 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccccc1NCCc1ccc(Cl)cc1)c1ccccc1Cl ZINC001445233309 1066548440 /nfs/dbraw/zinc/54/84/40/1066548440.db2.gz QFOJULZJRFSVSA-JOCHJYFZSA-N 0 0 456.373 4.995 20 0 JJADRN O=C(N(Cc1ccccc1)C[C@H](O)c1ccco1)C(F)(F)c1cccc(Br)c1 ZINC001445242551 1066548464 /nfs/dbraw/zinc/54/84/64/1066548464.db2.gz NHCFONYEXSNLSC-SFHVURJKSA-N 0 0 450.279 4.896 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC001445239444 1066548590 /nfs/dbraw/zinc/54/85/90/1066548590.db2.gz KACPCGLNXVOYCZ-JOCHJYFZSA-N 0 0 450.535 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@](C)(O)C2CCCCC2)o1 ZINC001361213831 1066548731 /nfs/dbraw/zinc/54/87/31/1066548731.db2.gz BNKCHWVPOZDBCF-PGRDOPGGSA-N 0 0 470.536 4.726 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCOc2ccccc2C)o1 ZINC001361213771 1066548780 /nfs/dbraw/zinc/54/87/80/1066548780.db2.gz AMFBFYZNSFURAA-FQEVSTJZSA-N 0 0 481.597 4.727 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C(C)(C)C)n2Cc2cccnc2Oc2cccc(F)c2)CCO1 ZINC001546081102 1066548940 /nfs/dbraw/zinc/54/89/40/1066548940.db2.gz ISTLXBPBMXFSJS-RUZDIDTESA-N 0 0 453.562 4.956 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cc4ccccc4[nH]3)cc2)ccc1F ZINC001445247463 1066548991 /nfs/dbraw/zinc/54/89/91/1066548991.db2.gz VZCIMKATPNIIET-UHFFFAOYSA-N 0 0 451.523 4.688 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC001456263147 1066549413 /nfs/dbraw/zinc/54/94/13/1066549413.db2.gz DYQCXWPMAYWWJQ-MRXNPFEDSA-N 0 0 453.564 4.991 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1OC ZINC001456264068 1066549444 /nfs/dbraw/zinc/54/94/44/1066549444.db2.gz BMJPECWWUSJFIE-QGZVFWFLSA-N 0 0 457.530 4.511 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973147 1066549492 /nfs/dbraw/zinc/54/94/92/1066549492.db2.gz TVCZRBBJSMLZNW-IFMALSPDSA-N 0 0 492.624 4.549 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cs1 ZINC001445258182 1066549626 /nfs/dbraw/zinc/54/96/26/1066549626.db2.gz HSHSRSWQBJUNFE-VWLOTQADSA-N 0 0 455.624 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361214133 1066549540 /nfs/dbraw/zinc/54/95/40/1066549540.db2.gz JKBKVRJBCPBCFG-GOSISDBHSA-N 0 0 486.642 4.656 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cccs2)o1 ZINC001361214065 1066549717 /nfs/dbraw/zinc/54/97/17/1066549717.db2.gz HXPZKXFZKOCGKG-KRWDZBQOSA-N 0 0 457.600 4.792 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c2ccccc21 ZINC001456265681 1066549730 /nfs/dbraw/zinc/54/97/30/1066549730.db2.gz GOSGKYQSCYTFQQ-OAQYLSRUSA-N 0 0 459.546 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[C@H]2CCO[C@H](C)C2)o1 ZINC001361214203 1066549807 /nfs/dbraw/zinc/54/98/07/1066549807.db2.gz KQIMOHNBXHFVBD-HKBOAZHASA-N 0 0 487.645 4.887 20 0 JJADRN C[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(F)cc1F ZINC001456268204 1066550011 /nfs/dbraw/zinc/55/00/11/1066550011.db2.gz HADVLNLCHCLEJJ-ZDUSSCGKSA-N 0 0 451.441 4.959 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](Oc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361214293 1066550254 /nfs/dbraw/zinc/55/02/54/1066550254.db2.gz MCOIFQVDVYLSAK-MRXNPFEDSA-N 0 0 467.314 4.882 20 0 JJADRN Cc1cccc(C)c1OCCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001456269492 1066550316 /nfs/dbraw/zinc/55/03/16/1066550316.db2.gz JAOYDNLUVQTQAN-UHFFFAOYSA-N 0 0 459.514 4.963 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1)c1ccc(Br)o1 ZINC001445267378 1066550320 /nfs/dbraw/zinc/55/03/20/1066550320.db2.gz CLTOPBGMQOQPJU-IAGOWNOFSA-N 0 0 459.340 4.658 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC001445270900 1066550654 /nfs/dbraw/zinc/55/06/54/1066550654.db2.gz JTDXTJZMIXTXDB-QGZVFWFLSA-N 0 0 458.381 4.882 20 0 JJADRN CO[C@@H](C)c1nc(CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cs1 ZINC001445268571 1066550738 /nfs/dbraw/zinc/55/07/38/1066550738.db2.gz DRSQTUUIDFTGRR-AWEZNQCLSA-N 0 0 455.605 4.973 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCCC2(F)F)o1 ZINC001361214658 1066551109 /nfs/dbraw/zinc/55/11/09/1066551109.db2.gz ULUNVHFKWCBMPY-ROUUACIJSA-N 0 0 463.573 4.803 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1 ZINC001456270793 1066551165 /nfs/dbraw/zinc/55/11/65/1066551165.db2.gz VDNVZDUTXFUNPR-UHFFFAOYSA-N 0 0 458.518 4.672 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O)NC(=O)OC(C)(C)C ZINC001445274216 1066551364 /nfs/dbraw/zinc/55/13/64/1066551364.db2.gz NCSBTKZIZDJZHB-ACRUOGEOSA-N 0 0 458.599 4.792 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O)NC(=O)OC(C)(C)C ZINC001445274222 1066551524 /nfs/dbraw/zinc/55/15/24/1066551524.db2.gz NCSBTKZIZDJZHB-HKBOAZHASA-N 0 0 458.599 4.792 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCS2)o1 ZINC001361214757 1066551745 /nfs/dbraw/zinc/55/17/45/1066551745.db2.gz WNYJXWPILQERQK-ZWKOTPCHSA-N 0 0 461.632 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@H](C)O)cc2)o1 ZINC001361214868 1066552167 /nfs/dbraw/zinc/55/21/67/1066552167.db2.gz ZAOMODZJVNSRPI-UGKGYDQZSA-N 0 0 495.624 4.784 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccccc1 ZINC001445278226 1066552225 /nfs/dbraw/zinc/55/22/25/1066552225.db2.gz UJBNDUJRLRUIMM-HXUWFJFHSA-N 0 0 456.970 4.951 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973245 1066552246 /nfs/dbraw/zinc/55/22/46/1066552246.db2.gz VFOCPVUXWVSOLW-VXKWHMMOSA-N 0 0 462.598 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361217162 1066552458 /nfs/dbraw/zinc/55/24/58/1066552458.db2.gz HIXFXWPWJUXLJI-OPAMFIHVSA-N 0 0 491.455 4.600 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@H](C)Oc2ccccc2)o1 ZINC001361217675 1066552888 /nfs/dbraw/zinc/55/28/88/1066552888.db2.gz LDALLUPVTKXZAF-NRFANRHFSA-N 0 0 481.597 4.619 20 0 JJADRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n2)c1 ZINC001445285659 1066553438 /nfs/dbraw/zinc/55/34/38/1066553438.db2.gz PLKWZMXHKVJYHK-FQEVSTJZSA-N 0 0 454.571 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3)n2Cc2cc(COC(C)(C)C)on2)cc1Br ZINC001361217543 1066553401 /nfs/dbraw/zinc/55/34/01/1066553401.db2.gz FAHUYRNIWICSIL-UHFFFAOYSA-N 0 0 474.403 4.968 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001445288174 1066553788 /nfs/dbraw/zinc/55/37/88/1066553788.db2.gz PHPXZMVXOHWRTH-JOCHJYFZSA-N 0 0 456.505 4.885 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)c4ccccc4)CC3)n2CCCOCCC(C)C)o1 ZINC001361217952 1066554008 /nfs/dbraw/zinc/55/40/08/1066554008.db2.gz OBNKFITZJGGHPO-UHFFFAOYSA-N 0 0 479.625 4.652 20 0 JJADRN Cc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c(Br)n1 ZINC001456279354 1066554409 /nfs/dbraw/zinc/55/44/09/1066554409.db2.gz TXAGABSLEOBOPX-UHFFFAOYSA-N 0 0 457.349 4.632 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2CCC(=O)N(C)C)cc1Br ZINC001361218368 1066554373 /nfs/dbraw/zinc/55/43/73/1066554373.db2.gz MSQQXZZCFNBLHQ-IBGZPJMESA-N 0 0 488.455 4.897 20 0 JJADRN O=C(NCCc1cccc(F)c1F)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001456283472 1066555380 /nfs/dbraw/zinc/55/53/80/1066555380.db2.gz HVXHWVBZEVXXOA-UHFFFAOYSA-N 0 0 451.513 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCCn2cccn2)cc1Br ZINC001361218637 1066555304 /nfs/dbraw/zinc/55/53/04/1066555304.db2.gz PNFHCRKESXFVSI-HXUWFJFHSA-N 0 0 457.420 4.928 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001456287145 1066555760 /nfs/dbraw/zinc/55/57/60/1066555760.db2.gz WGMKXLZNFCNYRB-HXUWFJFHSA-N 0 0 456.468 4.981 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1csc(-c2c(F)cccc2F)n1 ZINC001456286368 1066555895 /nfs/dbraw/zinc/55/58/95/1066555895.db2.gz VIBAASWFXRKFGB-GFCCVEGCSA-N 0 0 451.445 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(C)o3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361219225 1066556196 /nfs/dbraw/zinc/55/61/96/1066556196.db2.gz WQXPUDMBFMGNNM-QGZVFWFLSA-N 0 0 451.493 4.974 20 0 JJADRN C[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccc(F)c(Br)c1 ZINC001456288829 1066556331 /nfs/dbraw/zinc/55/63/31/1066556331.db2.gz FCLNIEGDPLIAJC-CQSZACIVSA-N 0 0 453.315 4.872 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CCOCC1 ZINC001456289416 1066556345 /nfs/dbraw/zinc/55/63/45/1066556345.db2.gz VGOUMHRNVWUCBC-MQNTZWLQSA-N 0 0 457.596 4.962 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(C)o3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361219224 1066556350 /nfs/dbraw/zinc/55/63/50/1066556350.db2.gz WQXPUDMBFMGNNM-KRWDZBQOSA-N 0 0 451.493 4.974 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CC(F)(F)F)cc1Br ZINC001361219330 1066556403 /nfs/dbraw/zinc/55/64/03/1066556403.db2.gz XNWPAQLWSNBULZ-INIZCTEOSA-N 0 0 469.309 4.653 20 0 JJADRN Cc1csc([C@@](O)(CC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001445321051 1066556582 /nfs/dbraw/zinc/55/65/82/1066556582.db2.gz DEYLKADFCRYMJS-GTNSWQLSSA-N 0 0 454.436 4.920 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973780 1066556673 /nfs/dbraw/zinc/55/66/73/1066556673.db2.gz HPNJPHAMXWPHGJ-BOFPYLFWSA-N 0 0 454.311 4.609 20 0 JJADRN CN(C(=O)CCS(=O)(=O)c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC001456294178 1066556622 /nfs/dbraw/zinc/55/66/22/1066556622.db2.gz FHVXTLPWTKLRBF-UHFFFAOYSA-N 0 0 451.169 4.583 20 0 JJADRN Cc1csc([C@@](O)(CC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001445321050 1066556782 /nfs/dbraw/zinc/55/67/82/1066556782.db2.gz DEYLKADFCRYMJS-DIFFPNOSSA-N 0 0 454.436 4.920 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC001456291250 1066556953 /nfs/dbraw/zinc/55/69/53/1066556953.db2.gz YCFJCJALSCRRSO-UHFFFAOYSA-N 0 0 458.558 4.830 20 0 JJADRN Cc1nc(-c2ccc(C)c(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)c2)n[nH]1 ZINC001445323566 1066557291 /nfs/dbraw/zinc/55/72/91/1066557291.db2.gz KSXMKBSFLQPLTN-UHFFFAOYSA-N 0 0 453.568 4.696 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC001456295935 1066557191 /nfs/dbraw/zinc/55/71/91/1066557191.db2.gz CGRBBBUDGGIRHP-RUZDIDTESA-N 0 0 455.603 4.797 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)OCc2nc(C)cs2)CCC(=O)N1c1ccc(C)cc1 ZINC001361220496 1066557548 /nfs/dbraw/zinc/55/75/48/1066557548.db2.gz SHZBXMXEJSYKOB-GBXCKJPGSA-N 0 0 450.560 4.996 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC001445331094 1066557658 /nfs/dbraw/zinc/55/76/58/1066557658.db2.gz QYOZKAHNXLJIJT-UHFFFAOYSA-N 0 0 451.007 4.585 20 0 JJADRN CC[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)Oc1ccccc1Cl ZINC001445329095 1066557724 /nfs/dbraw/zinc/55/77/24/1066557724.db2.gz VKHBBYXFIDDUHT-LJQANCHMSA-N 0 0 458.967 4.728 20 0 JJADRN CO[C@H](C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1)C(=O)OC(C)(C)C ZINC001456301108 1066558405 /nfs/dbraw/zinc/55/84/05/1066558405.db2.gz QVKDFQDHWQLZKI-OAQYLSRUSA-N 0 0 453.539 4.505 20 0 JJADRN C[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)Oc1ccccc1Br ZINC001445338878 1066559299 /nfs/dbraw/zinc/55/92/99/1066559299.db2.gz PDZRVDGBBLUYFX-AWEZNQCLSA-N 0 0 458.356 4.817 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341102 1066559399 /nfs/dbraw/zinc/55/93/99/1066559399.db2.gz YLOBIMPDUPZPBN-HNAYVOBHSA-N 0 0 451.792 4.651 20 0 JJADRN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001445341672 1066559429 /nfs/dbraw/zinc/55/94/29/1066559429.db2.gz ZJVZVBAFXYKPHS-UHFFFAOYSA-N 0 0 458.515 4.669 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973951 1066559547 /nfs/dbraw/zinc/55/95/47/1066559547.db2.gz LWOHIEMNBHAQAH-ACRUOGEOSA-N 0 0 450.595 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCc2ccsc2)o1 ZINC001361221103 1066559492 /nfs/dbraw/zinc/55/94/92/1066559492.db2.gz NSKBJTTVYYGVMM-MRXNPFEDSA-N 0 0 457.600 4.596 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H]2CCCCC2(F)F)o1 ZINC001361221454 1066560443 /nfs/dbraw/zinc/56/04/43/1066560443.db2.gz YWLRTMXJIXLJLV-HZPDHXFCSA-N 0 0 461.479 4.745 20 0 JJADRN CC(C)CN(CC(=O)Nc1nc2ccccc2n1CCc1ccccn1)C(=O)OC(C)(C)C ZINC001361222000 1066560528 /nfs/dbraw/zinc/56/05/28/1066560528.db2.gz PLSQYISJRLKGEK-UHFFFAOYSA-N 0 0 451.571 4.506 20 0 JJADRN CO[C@@H](C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001445345098 1066560498 /nfs/dbraw/zinc/56/04/98/1066560498.db2.gz JDGRABMVPRMESR-WBVHZDCISA-N 0 0 455.782 4.613 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445352528 1066561136 /nfs/dbraw/zinc/56/11/36/1066561136.db2.gz SSOQBDCBYSVFAL-QFIPXVFZSA-N 0 0 453.888 4.748 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)c3cccc(CC(C)C)c3)CC2)cc1 ZINC001456314692 1066561093 /nfs/dbraw/zinc/56/10/93/1066561093.db2.gz AYUBAKWEDNHGGA-FGZHOGPDSA-N 0 0 450.623 4.689 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2cc(Cl)ccc2O1 ZINC001361223247 1066561366 /nfs/dbraw/zinc/56/13/66/1066561366.db2.gz IEUBMGRSOAEDID-NSHDSACASA-N 0 0 452.761 4.837 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cc(Cl)nc(N(C)C)c1)CCO2 ZINC001361223591 1066561425 /nfs/dbraw/zinc/56/14/25/1066561425.db2.gz RPFWRVGBPREGFO-OAQYLSRUSA-N 0 0 451.954 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCSCC(C)C)o1 ZINC001361224054 1066561923 /nfs/dbraw/zinc/56/19/23/1066561923.db2.gz IAAGECAISPGPJN-INIZCTEOSA-N 0 0 459.582 4.699 20 0 JJADRN O=C(NCc1cccs1)c1cc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)ccc1Cl ZINC001445359307 1066562035 /nfs/dbraw/zinc/56/20/35/1066562035.db2.gz PFBRTIOBGQGZTR-UHFFFAOYSA-N 0 0 455.967 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2Cc2cscc2C(F)(F)F)o1 ZINC001361224006 1066562055 /nfs/dbraw/zinc/56/20/55/1066562055.db2.gz GSYIYQPIIUHKJB-OAHLLOKOSA-N 0 0 481.544 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2Cc2cccc(C(F)F)c2)o1 ZINC001361224174 1066562386 /nfs/dbraw/zinc/56/23/86/1066562386.db2.gz LGMIDOMLYPRMQW-AWEZNQCLSA-N 0 0 469.458 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(C(F)(F)F)cc2C)o1 ZINC001361224099 1066562532 /nfs/dbraw/zinc/56/25/32/1066562532.db2.gz JGFNLXGUSGIBEQ-UHFFFAOYSA-N 0 0 475.515 4.527 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001546081441 1066562786 /nfs/dbraw/zinc/56/27/86/1066562786.db2.gz OZPYAZQRDHVCCW-ZLGIVVLRSA-N 0 0 458.569 4.997 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC[C@@H]3c3cccn3C)cc2)cc1 ZINC001445363012 1066562803 /nfs/dbraw/zinc/56/28/03/1066562803.db2.gz QYKKDPHUAFNNGN-XMMPIXPASA-N 0 0 451.592 4.526 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC[C@H]3c3cccn3C)cc2)cc1 ZINC001445362971 1066562859 /nfs/dbraw/zinc/56/28/59/1066562859.db2.gz QYKKDPHUAFNNGN-DEOSSOPVSA-N 0 0 451.592 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CCC[C@@H]2C)cc1Br ZINC001361224391 1066562852 /nfs/dbraw/zinc/56/28/52/1066562852.db2.gz SLMZSEGRKBQZSC-PXNSSMCTSA-N 0 0 488.474 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC(F)(F)c2ccccc2)o1 ZINC001361224451 1066562920 /nfs/dbraw/zinc/56/29/20/1066562920.db2.gz UWPITJBEXHZZTR-HNNXBMFYSA-N 0 0 469.458 4.711 20 0 JJADRN Cc1sc(CC(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)nc1C(C)C ZINC001445370575 1066563160 /nfs/dbraw/zinc/56/31/60/1066563160.db2.gz LFIYMBMSBHCWLT-UHFFFAOYSA-N 0 0 457.577 4.841 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001456325919 1066563281 /nfs/dbraw/zinc/56/32/81/1066563281.db2.gz ALFPRBSSSFPFPE-CQSZACIVSA-N 0 0 457.290 4.867 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Br)cc(OC)c2)CC1 ZINC001456326296 1066563295 /nfs/dbraw/zinc/56/32/95/1066563295.db2.gz CPJBYZOJDDWIFC-FQEVSTJZSA-N 0 0 453.327 4.645 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2Cc2ccc(F)c(Cl)c2)o1 ZINC001361224550 1066563498 /nfs/dbraw/zinc/56/34/98/1066563498.db2.gz XQPLVYDOZFSOKR-ZDUSSCGKSA-N 0 0 471.886 4.760 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001456329954 1066563789 /nfs/dbraw/zinc/56/37/89/1066563789.db2.gz KEDOUOMWZAVSPH-INIZCTEOSA-N 0 0 451.792 4.695 20 0 JJADRN C[C@@H](CCC1CCCCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001456329262 1066563863 /nfs/dbraw/zinc/56/38/63/1066563863.db2.gz DXDTZVYVJNLXGG-INIZCTEOSA-N 0 0 459.027 4.745 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001361225111 1066563872 /nfs/dbraw/zinc/56/38/72/1066563872.db2.gz QRKXXYPPVZNBAO-HSZRJFAPSA-N 0 0 454.611 4.787 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 ZINC001361225021 1066564042 /nfs/dbraw/zinc/56/40/42/1066564042.db2.gz OLFRWPRJAILJNE-UHFFFAOYSA-N 0 0 456.652 4.910 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC001456333410 1066564457 /nfs/dbraw/zinc/56/44/57/1066564457.db2.gz QMFZVRFEELPPAM-HNNXBMFYSA-N 0 0 458.331 4.762 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)/C=C\c3ccc(I)o3)cc2)cc1 ZINC001456335796 1066564894 /nfs/dbraw/zinc/56/48/94/1066564894.db2.gz VWHATVKVPDCNRF-QBFSEMIESA-N 0 0 459.283 4.889 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)CSc3nnc(-c4cccs4)n3C)cc2)cc1 ZINC001456338384 1066565395 /nfs/dbraw/zinc/56/53/95/1066565395.db2.gz ZOGHVIRKWOXYAL-UHFFFAOYSA-N 0 0 450.589 4.628 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)c2cc(F)ccc2OC)c1 ZINC001445386592 1066565340 /nfs/dbraw/zinc/56/53/40/1066565340.db2.gz AOBFFDDMFLBKMD-PZJWPPBQSA-N 0 0 456.480 4.615 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)NC(=O)OC(C)(C)C ZINC001545974616 1066565408 /nfs/dbraw/zinc/56/54/08/1066565408.db2.gz BORZUTSLINVDRJ-NRFANRHFSA-N 0 0 493.656 4.520 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545974653 1066565483 /nfs/dbraw/zinc/56/54/83/1066565483.db2.gz CKOGBTBBYCAXLW-QZTJIDSGSA-N 0 0 452.603 4.729 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 ZINC001456341856 1066565771 /nfs/dbraw/zinc/56/57/71/1066565771.db2.gz QZCPAAPMYSCNQQ-QHCPKHFHSA-N 0 0 457.530 4.600 20 0 JJADRN Cc1c([C@H](C)NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cnn1C ZINC001456340996 1066565826 /nfs/dbraw/zinc/56/58/26/1066565826.db2.gz QCWRWUSYDRCSJY-HNNXBMFYSA-N 0 0 453.999 4.749 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)o1 ZINC001361227584 1066565959 /nfs/dbraw/zinc/56/59/59/1066565959.db2.gz QKBZEZLMNKZWLS-AREMUKBSSA-N 0 0 452.599 4.764 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)cc(Br)c2)C2(CCCCC2)C1 ZINC001456340664 1066566017 /nfs/dbraw/zinc/56/60/17/1066566017.db2.gz RWHPQLVZUCDYBP-UHFFFAOYSA-N 0 0 455.368 4.984 20 0 JJADRN COc1cccc([C@@H](NC(=O)Cc2c[nH]c3cnc(Cl)cc23)c2cc(F)ccc2OC)c1 ZINC001445389677 1066565961 /nfs/dbraw/zinc/56/59/61/1066565961.db2.gz IEYHCRXJXXHGMG-XMMPIXPASA-N 0 0 453.901 4.821 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(C(C)(C)O)cc2)o1 ZINC001361227585 1066566128 /nfs/dbraw/zinc/56/61/28/1066566128.db2.gz QKBZEZLMNKZWLS-SANMLTNESA-N 0 0 452.599 4.764 20 0 JJADRN CC[C@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(C(F)(F)F)c1 ZINC001445390299 1066566143 /nfs/dbraw/zinc/56/61/43/1066566143.db2.gz JQQCYUAHCQZEJH-GOSISDBHSA-N 0 0 456.505 4.936 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ncccc2C)cc1Br ZINC001361227725 1066566666 /nfs/dbraw/zinc/56/66/66/1066566666.db2.gz UBQMVQKMEFIABQ-OAQYLSRUSA-N 0 0 470.415 4.629 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001456346717 1066566733 /nfs/dbraw/zinc/56/67/33/1066566733.db2.gz WEHCOFGBENXMNB-NZSAHSFTSA-N 0 0 453.302 4.967 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](CCc4ccccc4)C3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361228838 1066567453 /nfs/dbraw/zinc/56/74/53/1066567453.db2.gz GTFVEMFSENKMQC-YIXXDRMTSA-N 0 0 466.626 4.872 20 0 JJADRN CCOC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001445402995 1066567608 /nfs/dbraw/zinc/56/76/08/1066567608.db2.gz MAQPVNNLBARBJL-NRFANRHFSA-N 0 0 458.624 4.528 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545974720 1066567717 /nfs/dbraw/zinc/56/77/17/1066567717.db2.gz DJTSYYJMNKGVQA-IBGZPJMESA-N 0 0 464.614 4.961 20 0 JJADRN COc1cc(OC)cc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001456352178 1066567661 /nfs/dbraw/zinc/56/76/61/1066567661.db2.gz OVGMULBLQXLCKI-UHFFFAOYSA-N 0 0 458.530 4.889 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001445408115 1066568128 /nfs/dbraw/zinc/56/81/28/1066568128.db2.gz HZISSLDALYBPNF-QZASHXROSA-N 0 0 451.485 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4cccc(Br)c4)C3)n2CC(F)(F)F)o1 ZINC001361228965 1066568279 /nfs/dbraw/zinc/56/82/79/1066568279.db2.gz JSDRLLIMSNVBTE-INIZCTEOSA-N 0 0 471.277 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C(C)(C)C1 ZINC001456358219 1066569379 /nfs/dbraw/zinc/56/93/79/1066569379.db2.gz UBQPFIYSFNJGLF-UHFFFAOYSA-N 0 0 453.461 4.832 20 0 JJADRN COC(C)(C)C[C@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001361230312 1066569416 /nfs/dbraw/zinc/56/94/16/1066569416.db2.gz RJZOXVGOPJVWFC-HNNXBMFYSA-N 0 0 452.473 4.656 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(N2CCCC2=O)cc1 ZINC001456358581 1066569451 /nfs/dbraw/zinc/56/94/51/1066569451.db2.gz IWVMDHDOUKUFRA-UHFFFAOYSA-N 0 0 455.436 4.950 20 0 JJADRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001445426518 1066570000 /nfs/dbraw/zinc/57/00/00/1066570000.db2.gz QBESPQCSJOYMQV-LBPRGKRZSA-N 0 0 455.782 4.890 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c1-c1cccc(Br)c1 ZINC001445424011 1066570024 /nfs/dbraw/zinc/57/00/24/1066570024.db2.gz GXBMYLUPKOXVIC-INIZCTEOSA-N 0 0 454.246 4.839 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1ccnc(-n2cncn2)c1 ZINC001456359882 1066570214 /nfs/dbraw/zinc/57/02/14/1066570214.db2.gz LUQCDVSLSHRGFL-UHFFFAOYSA-N 0 0 455.562 4.829 20 0 JJADRN C=CC(=O)Nc1cccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2COCC[Si](C)(C)C)c1 ZINC001456361503 1066570266 /nfs/dbraw/zinc/57/02/66/1066570266.db2.gz QMIMNJQNDACMGC-OAQYLSRUSA-N 0 0 454.647 4.543 20 0 JJADRN O=C(Cc1ccn(CC(F)(F)F)n1)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001456360472 1066570346 /nfs/dbraw/zinc/57/03/46/1066570346.db2.gz NYUSXABUHXQIRG-UHFFFAOYSA-N 0 0 458.362 4.510 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1-c1cccc(Br)c1 ZINC001445429431 1066570429 /nfs/dbraw/zinc/57/04/29/1066570429.db2.gz STLRUWVQMNTCIH-IKGGRYGDSA-N 0 0 475.387 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCc2ccncc2)cc1Br ZINC001361231206 1066570931 /nfs/dbraw/zinc/57/09/31/1066570931.db2.gz NZVXZNWJXUYAGD-MRXNPFEDSA-N 0 0 458.429 4.595 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)s2)cc1 ZINC001445431656 1066570984 /nfs/dbraw/zinc/57/09/84/1066570984.db2.gz WADCCBHSFUMPFR-UHFFFAOYSA-N 0 0 452.532 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361231161 1066570979 /nfs/dbraw/zinc/57/09/79/1066570979.db2.gz MTOCJNYDMWEHFP-DUOAEJKSSA-N 0 0 497.528 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@]2(O)CCC[C@@H]2C)cc1Br ZINC001361231201 1066571013 /nfs/dbraw/zinc/57/10/13/1066571013.db2.gz NUKIYPWOFSZGLB-QYWGDWMGSA-N 0 0 465.461 4.509 20 0 JJADRN CCc1c(Br)cc(C(=O)NCc2ccc(F)c(COC)c2)cc1Br ZINC001456362340 1066571141 /nfs/dbraw/zinc/57/11/41/1066571141.db2.gz JAEBRVAOAIDCCY-UHFFFAOYSA-N 0 0 459.153 4.990 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001456362817 1066571348 /nfs/dbraw/zinc/57/13/48/1066571348.db2.gz LCJFGMIQCAKVJR-QPJJXVBHSA-N 0 0 452.860 4.792 20 0 JJADRN COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccc1 ZINC001445437925 1066571363 /nfs/dbraw/zinc/57/13/63/1066571363.db2.gz OBPBAYMEKVWFTP-WZONZLPQSA-N 0 0 455.514 4.992 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@@H]2C)cc1Br ZINC001361231405 1066571386 /nfs/dbraw/zinc/57/13/86/1066571386.db2.gz ATXDICOOTGVSMP-QILLFSRXSA-N 0 0 476.419 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361231482 1066571460 /nfs/dbraw/zinc/57/14/60/1066571460.db2.gz RFVIPHJTZCUSIF-IBGZPJMESA-N 0 0 463.648 4.729 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)n1 ZINC001445439427 1066571489 /nfs/dbraw/zinc/57/14/89/1066571489.db2.gz UWZRASFVAOZBBF-QHCPKHFHSA-N 0 0 454.530 4.587 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438993 1066571551 /nfs/dbraw/zinc/57/15/51/1066571551.db2.gz ITVKTXOMJDPEOP-GFCCVEGCSA-N 0 0 458.902 4.934 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)cc1 ZINC001445439007 1066571586 /nfs/dbraw/zinc/57/15/86/1066571586.db2.gz IXYIFSIPTNYHLP-UHFFFAOYSA-N 0 0 452.555 4.926 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001456364258 1066571640 /nfs/dbraw/zinc/57/16/40/1066571640.db2.gz XSMRFMCQLHNTGA-UHFFFAOYSA-N 0 0 455.576 4.850 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC(C)(C)O)cc1Br ZINC001361231662 1066571893 /nfs/dbraw/zinc/57/18/93/1066571893.db2.gz SGWCQABPNDJATH-CABCVRRESA-N 0 0 453.450 4.507 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001445441040 1066572090 /nfs/dbraw/zinc/57/20/90/1066572090.db2.gz MXJZMRSPXMMISN-BRWVUGGUSA-N 0 0 457.434 4.805 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c(OC)c1OC ZINC001445441632 1066572118 /nfs/dbraw/zinc/57/21/18/1066572118.db2.gz PLWUZVOJNCIUJR-UHFFFAOYSA-N 0 0 452.334 4.567 20 0 JJADRN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001445441708 1066572181 /nfs/dbraw/zinc/57/21/81/1066572181.db2.gz RCGONEYQMPIKHK-OALUTQOASA-N 0 0 453.029 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@](C)(O)c2ccccc2Cl)o1 ZINC001361232003 1066572290 /nfs/dbraw/zinc/57/22/90/1066572290.db2.gz UXNBXDNQLDKVPW-OFNKIYASSA-N 0 0 461.031 4.985 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC001456369362 1066572462 /nfs/dbraw/zinc/57/24/62/1066572462.db2.gz DJUHSDAHJWHIHX-UHFFFAOYSA-N 0 0 450.501 4.856 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC001456368868 1066572821 /nfs/dbraw/zinc/57/28/21/1066572821.db2.gz CCZHTOCFIAQWSP-ZVTCDHROSA-N 0 0 459.575 4.718 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)[C@H](CC)CN1C(C)=O ZINC001361232254 1066572932 /nfs/dbraw/zinc/57/29/32/1066572932.db2.gz SFKHTTQWKYSIIG-QZTJIDSGSA-N 0 0 459.015 4.910 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361232023 1066572956 /nfs/dbraw/zinc/57/29/56/1066572956.db2.gz VJIMOPHQXKYFOH-YCRPNKLZSA-N 0 0 493.496 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361232636 1066573403 /nfs/dbraw/zinc/57/34/03/1066573403.db2.gz RROWSAIPSWFAAH-PMACEKPBSA-N 0 0 481.597 4.726 20 0 JJADRN O=C(c1ccc(I)cc1F)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001456377364 1066573618 /nfs/dbraw/zinc/57/36/18/1066573618.db2.gz APJASJKZOUXZPG-UHFFFAOYSA-N 0 0 455.164 4.774 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCOCC2CCOCC2)cc1Br ZINC001361232810 1066573759 /nfs/dbraw/zinc/57/37/59/1066573759.db2.gz YVAYQKJVJNIVJX-UTKZUKDTSA-N 0 0 495.437 4.644 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)o1 ZINC001361233274 1066573861 /nfs/dbraw/zinc/57/38/61/1066573861.db2.gz DCBCIDFQRWCDCR-GOSISDBHSA-N 0 0 491.514 4.649 20 0 JJADRN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001361233609 1066574381 /nfs/dbraw/zinc/57/43/81/1066574381.db2.gz JTRHWVAOPBWMTJ-UHFFFAOYSA-N 0 0 452.486 4.590 20 0 JJADRN CN(CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001456382937 1066574427 /nfs/dbraw/zinc/57/44/27/1066574427.db2.gz LGWJPRZCKAKQOI-HXUWFJFHSA-N 0 0 455.407 4.758 20 0 JJADRN Cc1cccc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1I ZINC001445465737 1066574460 /nfs/dbraw/zinc/57/44/60/1066574460.db2.gz PBKZZKHJSRXQQD-UHFFFAOYSA-N 0 0 459.249 4.933 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c(OC(F)F)c1 ZINC001445465721 1066574583 /nfs/dbraw/zinc/57/45/83/1066574583.db2.gz PBKSWQMEXMRHDO-UHFFFAOYSA-N 0 0 455.457 4.943 20 0 JJADRN O=C(c1ccc2c(c1)SCC(=O)N2)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445467167 1066574670 /nfs/dbraw/zinc/57/46/70/1066574670.db2.gz VNYFBACWAAXNRH-UHFFFAOYSA-N 0 0 451.375 4.859 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC(F)F)o1 ZINC001361233991 1066574800 /nfs/dbraw/zinc/57/48/00/1066574800.db2.gz KNPMWDGVWFJJAH-GOSISDBHSA-N 0 0 473.524 4.503 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001445469523 1066575177 /nfs/dbraw/zinc/57/51/77/1066575177.db2.gz SXAYTOUGYYRBKI-YLJYHZDGSA-N 0 0 451.007 4.683 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)n[nH]3)cc12 ZINC001456384557 1066575138 /nfs/dbraw/zinc/57/51/38/1066575138.db2.gz MXZNWLPWCVWCNW-VIFPVBQESA-N 0 0 454.865 4.677 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)F)o1 ZINC001361235280 1066575439 /nfs/dbraw/zinc/57/54/39/1066575439.db2.gz UAOXFNOHKNIBSP-QAPCUYQASA-N 0 0 493.942 4.696 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456388877 1066575483 /nfs/dbraw/zinc/57/54/83/1066575483.db2.gz AOSAWLGJPDZSOH-IYBDPMFKSA-N 0 0 451.405 4.727 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456388874 1066575497 /nfs/dbraw/zinc/57/54/97/1066575497.db2.gz AOSAWLGJPDZSOH-HZPDHXFCSA-N 0 0 451.405 4.727 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445482081 1066575902 /nfs/dbraw/zinc/57/59/02/1066575902.db2.gz DGMAATAUVUFBQV-MRXNPFEDSA-N 0 0 456.258 4.525 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1OCc1ccc(Cl)cc1 ZINC001456390710 1066575971 /nfs/dbraw/zinc/57/59/71/1066575971.db2.gz XGKDMHUOAQZZIR-NSHDSACASA-N 0 0 454.836 4.556 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)o1 ZINC001361235762 1066576269 /nfs/dbraw/zinc/57/62/69/1066576269.db2.gz ZBPNKHFTPDIFCH-AZUAARDMSA-N 0 0 469.561 4.715 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)o1 ZINC001361235763 1066576331 /nfs/dbraw/zinc/57/63/31/1066576331.db2.gz ZBPNKHFTPDIFCH-ICSRJNTNSA-N 0 0 469.561 4.715 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2F)s1)c1ccccc1 ZINC001456393065 1066576445 /nfs/dbraw/zinc/57/64/45/1066576445.db2.gz RWKHXMBKTWZXHZ-QFIPXVFZSA-N 0 0 459.546 4.953 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361236018 1066576829 /nfs/dbraw/zinc/57/68/29/1066576829.db2.gz CGQVYFFOJIDXQX-AQNXPRMDSA-N 0 0 473.618 4.574 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445486872 1066576980 /nfs/dbraw/zinc/57/69/80/1066576980.db2.gz RTAGMOJODWFVTB-UHFFFAOYSA-N 0 0 456.464 4.803 20 0 JJADRN CC(C)(CNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC001456394174 1066577039 /nfs/dbraw/zinc/57/70/39/1066577039.db2.gz LDXUFBAQQFPORL-HSZRJFAPSA-N 0 0 450.913 4.624 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cnc(OCc2ccccc2)cn1 ZINC001456393870 1066577074 /nfs/dbraw/zinc/57/70/74/1066577074.db2.gz VRCPYKXXWYQTRE-MGBGTMOVSA-N 0 0 457.555 4.757 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N(CCC(C)C)C2CC2)cc1 ZINC001361236778 1066577140 /nfs/dbraw/zinc/57/71/40/1066577140.db2.gz KVVWVGCNBYCKIP-ISKFKSNPSA-N 0 0 467.658 4.908 20 0 JJADRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001456394465 1066577148 /nfs/dbraw/zinc/57/71/48/1066577148.db2.gz GXBRTEQEXNZFLZ-UHFFFAOYSA-N 0 0 454.910 4.726 20 0 JJADRN CC(C)Oc1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1Br ZINC001456394221 1066577246 /nfs/dbraw/zinc/57/72/46/1066577246.db2.gz FWLKEFAFAXCMEX-GASCZTMLSA-N 0 0 455.393 4.706 20 0 JJADRN CN1CCc2ccc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2C1=O ZINC001445489600 1066577326 /nfs/dbraw/zinc/57/73/26/1066577326.db2.gz KDOYAKPPZOLMEG-OAQYLSRUSA-N 0 0 451.567 4.545 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001445491294 1066577506 /nfs/dbraw/zinc/57/75/06/1066577506.db2.gz JJROLMUSWKHESN-HNAYVOBHSA-N 0 0 458.440 4.517 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)no1 ZINC001361236934 1066577552 /nfs/dbraw/zinc/57/75/52/1066577552.db2.gz IFQZSLDNWOKBAF-DYVFJYSZSA-N 0 0 451.354 4.607 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1 ZINC001361237042 1066577707 /nfs/dbraw/zinc/57/77/07/1066577707.db2.gz LWDCZQWBTXKPOP-PUHATCMVSA-N 0 0 467.658 4.765 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC001456395889 1066578103 /nfs/dbraw/zinc/57/81/03/1066578103.db2.gz IGVUGMIJCTVYIN-UHFFFAOYSA-N 0 0 458.923 4.745 20 0 JJADRN C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001445499033 1066578283 /nfs/dbraw/zinc/57/82/83/1066578283.db2.gz VZCJLCYLZXOABD-WIYYLYMNSA-N 0 0 458.624 4.843 20 0 JJADRN Cc1c(C(=O)N2CCC(Cc3ccccc3F)CC2)nnn1-c1cccc(Br)c1 ZINC001445510454 1066578769 /nfs/dbraw/zinc/57/87/69/1066578769.db2.gz CHFVAYDDTMBBQI-UHFFFAOYSA-N 0 0 457.347 4.572 20 0 JJADRN O=C(C[C@H]1CCCC1(F)F)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361238210 1066578741 /nfs/dbraw/zinc/57/87/41/1066578741.db2.gz OWHGCYYKTOVPSS-GFCCVEGCSA-N 0 0 455.265 4.942 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361238307 1066578798 /nfs/dbraw/zinc/57/87/98/1066578798.db2.gz UYJVLRYBCCPRGE-KRWDZBQOSA-N 0 0 456.978 4.541 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 ZINC001361238339 1066579161 /nfs/dbraw/zinc/57/91/61/1066579161.db2.gz VIVKQINAWFPOIY-OFNKIYASSA-N 0 0 497.043 4.577 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1coc(Br)c1 ZINC001456404642 1066579120 /nfs/dbraw/zinc/57/91/20/1066579120.db2.gz GWXIFWMPDZCBAO-UHFFFAOYSA-N 0 0 456.083 4.644 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3COCC[C@@H]3c3ccccc3)c2)c1 ZINC001456404172 1066579220 /nfs/dbraw/zinc/57/92/20/1066579220.db2.gz WMIOEZMIBSNIBF-XMMPIXPASA-N 0 0 450.560 4.666 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361238738 1066579625 /nfs/dbraw/zinc/57/96/25/1066579625.db2.gz XQGQECSURUEAED-UYAOXDASSA-N 0 0 459.591 4.630 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cnccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001361238745 1066579862 /nfs/dbraw/zinc/57/98/62/1066579862.db2.gz XRLCPYZJOSWSDO-UGKGYDQZSA-N 0 0 477.613 4.546 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC001361238918 1066580196 /nfs/dbraw/zinc/58/01/96/1066580196.db2.gz YWZDLCIESSSHSY-OAQYLSRUSA-N 0 0 477.613 4.688 20 0 JJADRN CCc1c(C(=O)N2CCC(Cc3ccccc3F)CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001445517580 1066580321 /nfs/dbraw/zinc/58/03/21/1066580321.db2.gz XBUCFJGXXRKEAJ-UHFFFAOYSA-N 0 0 450.558 4.851 20 0 JJADRN COc1ccc(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)cc1NC(=O)C1CCCCC1 ZINC001456409063 1066580471 /nfs/dbraw/zinc/58/04/71/1066580471.db2.gz JEGOEYHQCODAJW-UHFFFAOYSA-N 0 0 454.477 4.930 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)OC2(C)C)cc1NC(=O)C1CCCCC1 ZINC001456409850 1066580482 /nfs/dbraw/zinc/58/04/82/1066580482.db2.gz JTCMKQLFXANMDP-QFIPXVFZSA-N 0 0 450.535 4.885 20 0 JJADRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001456409730 1066580488 /nfs/dbraw/zinc/58/04/88/1066580488.db2.gz JJBKHZXIKVPDCC-OAHLLOKOSA-N 0 0 453.486 4.779 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC001445519353 1066580462 /nfs/dbraw/zinc/58/04/62/1066580462.db2.gz MNDQHOWNWSYMRL-INIZCTEOSA-N 0 0 454.958 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC001456410457 1066580784 /nfs/dbraw/zinc/58/07/84/1066580784.db2.gz KMNJRFXAHKQSMO-RBZFPXEDSA-N 0 0 479.400 4.553 20 0 JJADRN C[S@@](=O)Cc1cc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)ccc1Cl ZINC001456413222 1066580902 /nfs/dbraw/zinc/58/09/02/1066580902.db2.gz ORJSKOGHVXIDGF-AREMUKBSSA-N 0 0 455.805 4.834 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC001445521591 1066580891 /nfs/dbraw/zinc/58/08/91/1066580891.db2.gz APDXAEPLTHYAJY-VXKWHMMOSA-N 0 0 458.986 4.896 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccccc3F)n2CCOCC(F)F)o1 ZINC001361238931 1066580901 /nfs/dbraw/zinc/58/09/01/1066580901.db2.gz YZIQLRZARDHGTC-KRWDZBQOSA-N 0 0 450.461 4.521 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)cc1NC(=O)C1CCCCC1 ZINC001456414316 1066581293 /nfs/dbraw/zinc/58/12/93/1066581293.db2.gz SEQPWFJDDJAIHG-UHFFFAOYSA-N 0 0 452.555 4.846 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001445523938 1066581321 /nfs/dbraw/zinc/58/13/21/1066581321.db2.gz CZCZYYPCSOEFKE-LVCYWYKZSA-N 0 0 475.630 4.782 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N(C)CCn2cccn2)cc1 ZINC001361239270 1066581327 /nfs/dbraw/zinc/58/13/27/1066581327.db2.gz ARIFLARPYQIYED-ISKFKSNPSA-N 0 0 450.631 4.676 20 0 JJADRN CCOC(=O)N1CCC(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001361239968 1066581708 /nfs/dbraw/zinc/58/17/08/1066581708.db2.gz GMPPAVUMVFXURW-UHFFFAOYSA-N 0 0 450.457 4.982 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361240008 1066581750 /nfs/dbraw/zinc/58/17/50/1066581750.db2.gz MNSXDRDVGITBHF-UHFFFAOYSA-N 0 0 474.447 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC001445526708 1066581921 /nfs/dbraw/zinc/58/19/21/1066581921.db2.gz MLZIBPGSLTXJHS-XXBNENTESA-N 0 0 450.501 4.968 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)cc1 ZINC001456423646 1066581963 /nfs/dbraw/zinc/58/19/63/1066581963.db2.gz AOXSLYQAWMQMAT-QFIPXVFZSA-N 0 0 454.320 4.870 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC001445524616 1066581986 /nfs/dbraw/zinc/58/19/86/1066581986.db2.gz GWSGHKZFKOFUGI-JPYJTQIMSA-N 0 0 455.574 4.692 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(N(C)CC(C)C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361240601 1066582245 /nfs/dbraw/zinc/58/22/45/1066582245.db2.gz VBTFQJKJQQUBAO-NLJOTIRTSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(N(C)CC(C)C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361240599 1066582286 /nfs/dbraw/zinc/58/22/86/1066582286.db2.gz VBTFQJKJQQUBAO-DPZBCOQUSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1ccc([C@@H](C)C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001456426573 1066582419 /nfs/dbraw/zinc/58/24/19/1066582419.db2.gz VZCVCHQLIWOEKC-LJQANCHMSA-N 0 0 454.567 4.882 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001456426266 1066582566 /nfs/dbraw/zinc/58/25/66/1066582566.db2.gz DWZXLKWXHHBFFI-UHFFFAOYSA-N 0 0 456.373 4.925 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)ccc1-n1cnnn1 ZINC001361241196 1066582549 /nfs/dbraw/zinc/58/25/49/1066582549.db2.gz YONTVWQMKPWZOK-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)C3(c4ccc(Br)cc4)CCCC3)C2=O)cc1 ZINC001361240768 1066582675 /nfs/dbraw/zinc/58/26/75/1066582675.db2.gz RLXRCPUVIVIXJS-OAQYLSRUSA-N 0 0 455.396 4.881 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCCCNC(=O)c1cccc(F)c1)c(C)n2C1CCCC1 ZINC001456429892 1066583067 /nfs/dbraw/zinc/58/30/67/1066583067.db2.gz KAMGVVAPLQZVLR-UHFFFAOYSA-N 0 0 451.542 4.762 20 0 JJADRN Cc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361241462 1066583097 /nfs/dbraw/zinc/58/30/97/1066583097.db2.gz FUQXPWWTEQIHBM-HSZRJFAPSA-N 0 0 476.625 4.727 20 0 JJADRN Cc1ccc(CCn2c(C3CCC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361241499 1066583116 /nfs/dbraw/zinc/58/31/16/1066583116.db2.gz GYKIAIMBZCOYHB-JOCHJYFZSA-N 0 0 453.631 4.932 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCCO[C@H](C)C2)c(C)c1 ZINC001361241325 1066583127 /nfs/dbraw/zinc/58/31/27/1066583127.db2.gz AUYQCWVCZYLDPM-QGZVFWFLSA-N 0 0 458.404 4.510 20 0 JJADRN Cc1ccc(CCn2c(C3CCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361241500 1066583156 /nfs/dbraw/zinc/58/31/56/1066583156.db2.gz GYKIAIMBZCOYHB-QFIPXVFZSA-N 0 0 453.631 4.932 20 0 JJADRN Cc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c(C)c1 ZINC001361241478 1066583302 /nfs/dbraw/zinc/58/33/02/1066583302.db2.gz GGOTUMSYXCPLFQ-UHFFFAOYSA-N 0 0 457.500 4.547 20 0 JJADRN CCCOc1ccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(OC)c1 ZINC001456430708 1066583505 /nfs/dbraw/zinc/58/35/05/1066583505.db2.gz HUMXXMBXMJVNQU-UHFFFAOYSA-N 0 0 453.560 4.851 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361241654 1066583638 /nfs/dbraw/zinc/58/36/38/1066583638.db2.gz LESDQWVTBZFYKC-UHFFFAOYSA-N 0 0 476.625 4.693 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)N(Cc2cncs2)Cc2cncs2)cc1C ZINC001456432966 1066583917 /nfs/dbraw/zinc/58/39/17/1066583917.db2.gz BZRFTDMHLZLSCQ-UHFFFAOYSA-N 0 0 455.634 4.723 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1N1C(=O)CCC1=O ZINC001456432442 1066583933 /nfs/dbraw/zinc/58/39/33/1066583933.db2.gz PRPXHZYBSPFLAV-UHFFFAOYSA-N 0 0 455.230 4.682 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cnn(C)c2)c(C)c1 ZINC001361241982 1066584161 /nfs/dbraw/zinc/58/41/61/1066584161.db2.gz XEANEAXNOQPWGY-UHFFFAOYSA-N 0 0 485.455 4.999 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC001361243221 1066584644 /nfs/dbraw/zinc/58/46/44/1066584644.db2.gz KGZPEJFMUQTWLN-QHCPKHFHSA-N 0 0 481.710 4.989 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)c1 ZINC001445538091 1066585343 /nfs/dbraw/zinc/58/53/43/1066585343.db2.gz GGMCYBCPXGUJJG-UHFFFAOYSA-N 0 0 451.479 4.609 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC001445544746 1066586302 /nfs/dbraw/zinc/58/63/02/1066586302.db2.gz TZZBMXYUBXAOJP-ILBGXUMGSA-N 0 0 451.950 4.884 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001361244714 1066586487 /nfs/dbraw/zinc/58/64/87/1066586487.db2.gz SDDZUOOKUBPWQU-XMMPIXPASA-N 0 0 456.652 4.817 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001361244477 1066586587 /nfs/dbraw/zinc/58/65/87/1066586587.db2.gz MHAYCHYIAKNYJA-KRWDZBQOSA-N 0 0 459.331 4.570 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCO3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361245041 1066586643 /nfs/dbraw/zinc/58/66/43/1066586643.db2.gz BZLNYVBTTYHYHK-HSZRJFAPSA-N 0 0 483.657 4.825 20 0 JJADRN COCCNc1nc(CC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cs1 ZINC001445552597 1066586702 /nfs/dbraw/zinc/58/67/02/1066586702.db2.gz QQLZUXLWJAGGGE-GFCCVEGCSA-N 0 0 451.017 4.707 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)CCCCC2)cc1OC ZINC001456440506 1066586841 /nfs/dbraw/zinc/58/68/41/1066586841.db2.gz DOKXMZQORFSLFV-PGRDOPGGSA-N 0 0 450.579 4.930 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2ccc(OCc3nc(C)no3)cc2)c1F ZINC001456439802 1066586890 /nfs/dbraw/zinc/58/68/90/1066586890.db2.gz IXTNHTZWJGWCMR-UHFFFAOYSA-N 0 0 450.264 4.510 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCSC[C@H]3c3ccccc3)cc2)cc1 ZINC001456439799 1066587046 /nfs/dbraw/zinc/58/70/46/1066587046.db2.gz DYKCWXKDXNIISB-DEOSSOPVSA-N 0 0 451.613 4.899 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)NCc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2=O)c1 ZINC001445545904 1066586973 /nfs/dbraw/zinc/58/69/73/1066586973.db2.gz PDPAENBCGYALFD-MRXNPFEDSA-N 0 0 455.967 4.695 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC001445563747 1066587750 /nfs/dbraw/zinc/58/77/50/1066587750.db2.gz QIEVNGPXJPLTFI-UTKZUKDTSA-N 0 0 455.400 4.760 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361245826 1066587886 /nfs/dbraw/zinc/58/78/86/1066587886.db2.gz HEGRRYDBMCYXIO-AUMHUTNHSA-N 0 0 456.486 4.594 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361246318 1066588312 /nfs/dbraw/zinc/58/83/12/1066588312.db2.gz PTJVFMPSIXFMAJ-JGCGQSQUSA-N 0 0 457.477 4.893 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cccc(S(=O)(=O)C(C)C)c3)CCCCC2)cc1OC ZINC001456446593 1066588599 /nfs/dbraw/zinc/58/85/99/1066588599.db2.gz MYCBRQTVDQXVPF-UHFFFAOYSA-N 0 0 459.608 4.518 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361246168 1066588591 /nfs/dbraw/zinc/58/85/91/1066588591.db2.gz ZOIWBNSGZFGZSN-NRFANRHFSA-N 0 0 467.639 4.585 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)NCCc3nc(-c4cccc(Cl)c4)no3)cs2)cc1 ZINC001456448228 1066589040 /nfs/dbraw/zinc/58/90/40/1066589040.db2.gz KCNHRWJSPCCJIA-UHFFFAOYSA-N 0 0 454.939 4.885 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001445573397 1066589414 /nfs/dbraw/zinc/58/94/14/1066589414.db2.gz NAVAYJPDXHJGKD-GFCCVEGCSA-N 0 0 452.324 4.691 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)s1 ZINC001361247304 1066589882 /nfs/dbraw/zinc/58/98/82/1066589882.db2.gz YHVNAJIVCWFTBD-WSTZPKSXSA-N 0 0 489.686 4.606 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)s1 ZINC001361247303 1066589923 /nfs/dbraw/zinc/58/99/23/1066589923.db2.gz YHVNAJIVCWFTBD-HBFSDRIKSA-N 0 0 489.686 4.606 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001445581011 1066589957 /nfs/dbraw/zinc/58/99/57/1066589957.db2.gz BJSFIKHHTCBTKV-NLFFAJNJSA-N 0 0 456.587 4.751 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001445581009 1066589967 /nfs/dbraw/zinc/58/99/67/1066589967.db2.gz BJSFIKHHTCBTKV-NBGIEHNGSA-N 0 0 456.587 4.751 20 0 JJADRN COc1ccc([C@H](NC(=O)CC(C)(C)CC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247700 1066590356 /nfs/dbraw/zinc/59/03/56/1066590356.db2.gz LGSJKLHBZGSAAI-FQEVSTJZSA-N 0 0 457.514 4.673 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001361247730 1066590414 /nfs/dbraw/zinc/59/04/14/1066590414.db2.gz LYQMQUISGQRAPH-UTKZUKDTSA-N 0 0 455.555 4.568 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2)no1 ZINC001456451403 1066590503 /nfs/dbraw/zinc/59/05/03/1066590503.db2.gz VEOHVCZZCGUYOK-GOSISDBHSA-N 0 0 452.942 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2csc(-c3ccco3)n2)C1 ZINC001445582508 1066590550 /nfs/dbraw/zinc/59/05/50/1066590550.db2.gz IYBWONVWZWBGQY-UYAOXDASSA-N 0 0 467.591 4.745 20 0 JJADRN COc1ccc([C@@H](NC(=O)CC(C)(C)CC(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247701 1066590531 /nfs/dbraw/zinc/59/05/31/1066590531.db2.gz LGSJKLHBZGSAAI-HXUWFJFHSA-N 0 0 457.514 4.673 20 0 JJADRN COc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cnc1Br ZINC001361247965 1066590794 /nfs/dbraw/zinc/59/07/94/1066590794.db2.gz PRYSHSYJLRTRLY-GFCCVEGCSA-N 0 0 450.333 4.691 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)s1 ZINC001361248153 1066591362 /nfs/dbraw/zinc/59/13/62/1066591362.db2.gz HQRXPKNXMUUTHZ-UHFFFAOYSA-N 0 0 450.511 4.786 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586587 1066591589 /nfs/dbraw/zinc/59/15/89/1066591589.db2.gz VZTCOZMDNMDVLY-PKTZIBPZSA-N 0 0 456.608 4.524 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586356 1066591611 /nfs/dbraw/zinc/59/16/11/1066591611.db2.gz UPOBEYSPDYSHHM-XZOQPEGZSA-N 0 0 456.608 4.524 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001445585880 1066591780 /nfs/dbraw/zinc/59/17/80/1066591780.db2.gz NXVVWNYUPDIXBS-UHFFFAOYSA-N 0 0 456.587 4.705 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586355 1066591804 /nfs/dbraw/zinc/59/18/04/1066591804.db2.gz UPOBEYSPDYSHHM-PKTZIBPZSA-N 0 0 456.608 4.524 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC001456459497 1066591956 /nfs/dbraw/zinc/59/19/56/1066591956.db2.gz BUWKCDKJNMJNRM-DNOBIOAJSA-N 0 0 452.414 4.552 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1-c1ccccc1 ZINC001456461777 1066592225 /nfs/dbraw/zinc/59/22/25/1066592225.db2.gz KHZPHBAUXBPQGK-UHFFFAOYSA-N 0 0 454.933 4.718 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc3cc(Br)ccc3s2)c1 ZINC001456463877 1066592269 /nfs/dbraw/zinc/59/22/69/1066592269.db2.gz KRBZCPRRBJVFRF-SANMLTNESA-N 0 0 452.395 4.811 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc3cc(F)ccc3o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361248599 1066592238 /nfs/dbraw/zinc/59/22/38/1066592238.db2.gz XRFBSMGAGHYTCZ-HSZRJFAPSA-N 0 0 453.491 4.503 20 0 JJADRN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590202 1066592632 /nfs/dbraw/zinc/59/26/32/1066592632.db2.gz IRQILRHZZOIGFV-GBXCKJPGSA-N 0 0 454.574 4.952 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361248885 1066592758 /nfs/dbraw/zinc/59/27/58/1066592758.db2.gz VGXBQQDNVDCNSN-HFZDXXHNSA-N 0 0 468.598 4.632 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)C)n2CCCCn2cc(Br)cn2)s1 ZINC001361249062 1066592809 /nfs/dbraw/zinc/59/28/09/1066592809.db2.gz ZCRXKDCIVDAUFX-UHFFFAOYSA-N 0 0 451.438 4.847 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001456466989 1066592855 /nfs/dbraw/zinc/59/28/55/1066592855.db2.gz RQDFCTGSHFBARL-HKBQPEDESA-N 0 0 452.454 4.508 20 0 JJADRN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1-c1ccc(C)cc1 ZINC001456468040 1066593176 /nfs/dbraw/zinc/59/31/76/1066593176.db2.gz ZRILWMSMIXFGCV-UHFFFAOYSA-N 0 0 454.933 4.773 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CC(OC(C)(C)C)C2)o1 ZINC001361249677 1066593496 /nfs/dbraw/zinc/59/34/96/1066593496.db2.gz ARRNEHFTRBXADN-YDJYNLAZSA-N 0 0 474.646 4.840 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@@H]2C)o1 ZINC001361249746 1066593647 /nfs/dbraw/zinc/59/36/47/1066593647.db2.gz DFOWPVXQWNHSJI-MAUKXSAKSA-N 0 0 459.388 4.918 20 0 JJADRN O=C(NCCCO[C@H]1CCCc2ccccc21)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001456474913 1066593677 /nfs/dbraw/zinc/59/36/77/1066593677.db2.gz GAMGDSQWQXYHMK-VWLOTQADSA-N 0 0 450.579 4.636 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)ccn2)CC1 ZINC001456473336 1066593723 /nfs/dbraw/zinc/59/37/23/1066593723.db2.gz CINVJXCKILHJTQ-URSIVYNOSA-N 0 0 459.949 4.501 20 0 JJADRN C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445599623 1066593701 /nfs/dbraw/zinc/59/37/01/1066593701.db2.gz IRAGTVMHPBLYBB-CYBMUJFWSA-N 0 0 452.418 4.692 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)c3ccc(Br)cc3)C2)c1 ZINC001456477692 1066594205 /nfs/dbraw/zinc/59/42/05/1066594205.db2.gz FPPHNSSIRXERIQ-IEBWSBKVSA-N 0 0 458.400 4.921 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCC(C)(C)O)s1 ZINC001361249857 1066594424 /nfs/dbraw/zinc/59/44/24/1066594424.db2.gz HWDOAUQMKXFFGC-UHFFFAOYSA-N 0 0 455.447 4.936 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)o1 ZINC001361249883 1066594527 /nfs/dbraw/zinc/59/45/27/1066594527.db2.gz IUHFOYWAIPZSBJ-UHFFFAOYSA-N 0 0 456.612 4.713 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)Cc2cccs2)o1 ZINC001361249814 1066594570 /nfs/dbraw/zinc/59/45/70/1066594570.db2.gz GRHJMQDTVOFZIP-KRWDZBQOSA-N 0 0 484.647 4.827 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3c(C)cccc3C)cc2)cc1 ZINC001456480924 1066594697 /nfs/dbraw/zinc/59/46/97/1066594697.db2.gz VEMHVOSFYAUBJN-UHFFFAOYSA-N 0 0 452.576 4.775 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)s1 ZINC001361249891 1066595024 /nfs/dbraw/zinc/59/50/24/1066595024.db2.gz JEOFURHBECAIDF-UHFFFAOYSA-N 0 0 494.459 4.628 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N2CCOCC2)o1 ZINC001361249969 1066595184 /nfs/dbraw/zinc/59/51/84/1066595184.db2.gz MJSMUZDVIFWQFZ-IBGZPJMESA-N 0 0 451.615 4.501 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001445618873 1066595720 /nfs/dbraw/zinc/59/57/20/1066595720.db2.gz WYBOPZSDUTWYRU-BVUSGXHMSA-N 0 0 473.614 4.752 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC001445626528 1066595748 /nfs/dbraw/zinc/59/57/48/1066595748.db2.gz PMOSIGWTGYMXCJ-IAGOWNOFSA-N 0 0 454.571 4.925 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001456484053 1066595877 /nfs/dbraw/zinc/59/58/77/1066595877.db2.gz YRLMJOACWPFRAU-LPHOPBHVSA-N 0 0 459.612 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001456485189 1066596151 /nfs/dbraw/zinc/59/61/51/1066596151.db2.gz CRMYCFBLWAECDW-CQSZACIVSA-N 0 0 451.283 4.597 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001456486624 1066596301 /nfs/dbraw/zinc/59/63/01/1066596301.db2.gz FTRKWHCONRHANR-NRFANRHFSA-N 0 0 452.393 4.529 20 0 JJADRN Cc1cc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)nn1-c1ccc(F)cc1 ZINC001456487035 1066596912 /nfs/dbraw/zinc/59/69/12/1066596912.db2.gz GOWBIXFHJBFYHI-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Cc1csc2ccc(Br)cc12 ZINC001456490527 1066597252 /nfs/dbraw/zinc/59/72/52/1066597252.db2.gz JXRGPQLICIRNQE-HNNXBMFYSA-N 0 0 453.402 4.722 20 0 JJADRN O=C(Cc1csc2nccn12)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456489939 1066597567 /nfs/dbraw/zinc/59/75/67/1066597567.db2.gz JDTUCQRBJJVZPK-UHFFFAOYSA-N 0 0 458.465 4.526 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CCN1C(=O)OC(C)(C)C ZINC001456489180 1066597581 /nfs/dbraw/zinc/59/75/81/1066597581.db2.gz HCXBWENTSQJYKS-RTWAWAEBSA-N 0 0 458.628 4.749 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCc2nccnc2C)o1 ZINC001361250905 1066597869 /nfs/dbraw/zinc/59/78/69/1066597869.db2.gz DJNLKXPKLZXVPN-UHFFFAOYSA-N 0 0 485.361 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)Cc1csc2ccc(Br)cc12 ZINC001456490534 1066598018 /nfs/dbraw/zinc/59/80/18/1066598018.db2.gz JXRGPQLICIRNQE-OAHLLOKOSA-N 0 0 453.402 4.722 20 0 JJADRN C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456492608 1066598362 /nfs/dbraw/zinc/59/83/62/1066598362.db2.gz MQNJSMJWHUKXRU-QFBILLFUSA-N 0 0 455.274 4.747 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCc1ccc2c(c1)COC2 ZINC001445653877 1066598458 /nfs/dbraw/zinc/59/84/58/1066598458.db2.gz IYFQBTHHJLXVFL-UHFFFAOYSA-N 0 0 457.596 4.526 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977495 1066599112 /nfs/dbraw/zinc/59/91/12/1066599112.db2.gz MQUFPAHWESETDD-IRFCIJBXSA-N 0 0 479.629 4.526 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1OC ZINC001456495478 1066599347 /nfs/dbraw/zinc/59/93/47/1066599347.db2.gz SDJRCGHYRLGRGR-HNNXBMFYSA-N 0 0 453.926 4.886 20 0 JJADRN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001445661869 1066599465 /nfs/dbraw/zinc/59/94/65/1066599465.db2.gz VTMGZKDWPKNWMY-NSHDSACASA-N 0 0 459.301 4.565 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)c1 ZINC001445666214 1066599476 /nfs/dbraw/zinc/59/94/76/1066599476.db2.gz HEETVVADECHUNT-JOCHJYFZSA-N 0 0 451.567 4.939 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001456495507 1066599430 /nfs/dbraw/zinc/59/94/30/1066599430.db2.gz SHVZUTUTIAIKHS-INIZCTEOSA-N 0 0 452.448 4.875 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977839 1066599798 /nfs/dbraw/zinc/59/97/98/1066599798.db2.gz SASVETXIGPQMKY-CTNGQTDRSA-N 0 0 479.629 4.670 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(S(C)(=O)=O)cc(C)c3C)s2)cc1 ZINC001456496674 1066599856 /nfs/dbraw/zinc/59/98/56/1066599856.db2.gz CWFZVXGNFNTJAI-HNNXBMFYSA-N 0 0 458.605 4.638 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001445671649 1066599869 /nfs/dbraw/zinc/59/98/69/1066599869.db2.gz OGCAOEKWXVIVKG-YSZBQJHXSA-N 0 0 456.583 4.526 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)CCOc2ccc(Cl)cc2Br)c1 ZINC001445675840 1066600479 /nfs/dbraw/zinc/60/04/79/1066600479.db2.gz YKGKYCIWLZHLEM-GOSISDBHSA-N 0 0 456.764 4.508 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)c(Br)c1 ZINC001445674525 1066600564 /nfs/dbraw/zinc/60/05/64/1066600564.db2.gz VUSYSUGPDGXPJQ-FQEVSTJZSA-N 0 0 452.414 4.741 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N2CCCC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598192 1066600447 /nfs/dbraw/zinc/60/04/47/1066600447.db2.gz KKJRDVXGUXTEEX-LVXARBLLSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)s1 ZINC001361252719 1066600530 /nfs/dbraw/zinc/60/05/30/1066600530.db2.gz QFMISHXBPCVHOL-UTKZUKDTSA-N 0 0 484.670 4.935 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001456498592 1066600929 /nfs/dbraw/zinc/60/09/29/1066600929.db2.gz BTDUOJOYHPADJD-GFCCVEGCSA-N 0 0 456.153 4.668 20 0 JJADRN O=C(Nc1cc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)ccc1Cl)c1cccs1 ZINC001445677998 1066601051 /nfs/dbraw/zinc/60/10/51/1066601051.db2.gz JOCKGKBQEZTHCS-INIZCTEOSA-N 0 0 453.322 4.910 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC001445679245 1066601168 /nfs/dbraw/zinc/60/11/68/1066601168.db2.gz NFWWMOPUQAHYSY-XPTSAGLGSA-N 0 0 451.119 4.512 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001361254089 1066601792 /nfs/dbraw/zinc/60/17/92/1066601792.db2.gz FZICXNYSWLGTCU-UHFFFAOYSA-N 0 0 456.900 4.928 20 0 JJADRN C[C@@H](O)C[C@@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 ZINC001445679474 1066601756 /nfs/dbraw/zinc/60/17/56/1066601756.db2.gz ASWZVNHDBRJRHX-AEFFLSMTSA-N 0 0 458.352 4.906 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3S(=O)(=O)C(C)C)s2)cc1 ZINC001456501223 1066602300 /nfs/dbraw/zinc/60/23/00/1066602300.db2.gz VCUVLZLBUUQDSP-OAHLLOKOSA-N 0 0 458.605 4.800 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](CC(C)C)C(=O)OCc3ccccc3)cc12 ZINC001456500950 1066602436 /nfs/dbraw/zinc/60/24/36/1066602436.db2.gz LTCSDUVBMFLGPN-DEOSSOPVSA-N 0 0 456.546 4.617 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC001361254847 1066602496 /nfs/dbraw/zinc/60/24/96/1066602496.db2.gz DDBTXSZXZBAGHB-BQFCYCMXSA-N 0 0 490.617 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)s1 ZINC001361254310 1066602534 /nfs/dbraw/zinc/60/25/34/1066602534.db2.gz ITPIHMUWOBUIRV-INIZCTEOSA-N 0 0 481.956 4.539 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)C2)cc(OC)c1 ZINC001445682448 1066602463 /nfs/dbraw/zinc/60/24/63/1066602463.db2.gz AYJWOVNGNKWWMQ-OAHLLOKOSA-N 0 0 459.518 4.822 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2ccccc2)o1 ZINC001361254971 1066602855 /nfs/dbraw/zinc/60/28/55/1066602855.db2.gz FLZOTVLZNUUTBK-QHCPKHFHSA-N 0 0 495.624 4.757 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCC3)n2CCCS(=O)(=O)Cc2ccccc2)s1 ZINC001361255146 1066602908 /nfs/dbraw/zinc/60/29/08/1066602908.db2.gz SLYGNAWZNRXMLA-UHFFFAOYSA-N 0 0 458.653 4.557 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)cc1 ZINC001456502548 1066603014 /nfs/dbraw/zinc/60/30/14/1066603014.db2.gz HAZSNQFIYYNCBH-HXUWFJFHSA-N 0 0 453.652 4.699 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC001445686753 1066603725 /nfs/dbraw/zinc/60/37/25/1066603725.db2.gz POTLXQOGQCZEMD-OAHLLOKOSA-N 0 0 452.979 4.851 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(C(F)(F)F)CC2)s1 ZINC001361255429 1066603833 /nfs/dbraw/zinc/60/38/33/1066603833.db2.gz LLOJADPCODDADO-AQFXKWCLSA-N 0 0 490.617 4.555 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)Cc3c4ccc(C)cc4oc3C(C)=O)C2)cc(OC)c1 ZINC001445688810 1066603818 /nfs/dbraw/zinc/60/38/18/1066603818.db2.gz KGSWVSFYVJECST-SFHVURJKSA-N 0 0 450.535 4.607 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)[C@@H](C)Sc3nc4ccccc4s3)C2)cc(OC)c1 ZINC001445687154 1066603875 /nfs/dbraw/zinc/60/38/75/1066603875.db2.gz JWBSZZSYPIPAPV-HZPDHXFCSA-N 0 0 457.621 4.897 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001456504782 1066604177 /nfs/dbraw/zinc/60/41/77/1066604177.db2.gz ORNYFFYHOYYKBQ-HNNXBMFYSA-N 0 0 457.290 4.675 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001361256374 1066604215 /nfs/dbraw/zinc/60/42/15/1066604215.db2.gz ATTBUKHDOWVRAI-ZDUSSCGKSA-N 0 0 455.769 4.571 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001445689279 1066604227 /nfs/dbraw/zinc/60/42/27/1066604227.db2.gz PKTPQRPRAFYOTG-LADGPHEKSA-N 0 0 451.469 4.525 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)o1 ZINC001361255897 1066604376 /nfs/dbraw/zinc/60/43/76/1066604376.db2.gz SDXNDIXZSBRVFZ-HKUYNNGSSA-N 0 0 452.452 4.941 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCS2)o1 ZINC001361255856 1066604413 /nfs/dbraw/zinc/60/44/13/1066604413.db2.gz RFIRSOCTLZKIAS-HXUWFJFHSA-N 0 0 475.659 4.826 20 0 JJADRN Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001456506606 1066604985 /nfs/dbraw/zinc/60/49/85/1066604985.db2.gz LGFLGVCMIZTTCD-KKSFZXQISA-N 0 0 459.384 4.681 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)NCCc2cc(Br)ccc2SC)cc1 ZINC001456506618 1066605005 /nfs/dbraw/zinc/60/50/05/1066605005.db2.gz NJKYRQLSAGUCPD-UHFFFAOYSA-N 0 0 450.398 4.892 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C)CC1 ZINC001445691781 1066605003 /nfs/dbraw/zinc/60/50/03/1066605003.db2.gz XUEJBHPIZIEYOR-UHFFFAOYSA-N 0 0 450.608 4.708 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc3ccncc3c2)c2ccc(Cl)cc2)c1 ZINC001361256645 1066605042 /nfs/dbraw/zinc/60/50/42/1066605042.db2.gz DYHUALJFNFXGRP-QHCPKHFHSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cnn1C(C)(C)C ZINC001361256445 1066605050 /nfs/dbraw/zinc/60/50/50/1066605050.db2.gz CERDRPXADVXABX-OAQYLSRUSA-N 0 0 459.999 4.523 20 0 JJADRN C[C@@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256636 1066605081 /nfs/dbraw/zinc/60/50/81/1066605081.db2.gz DUGJRGZDVHOJFK-MRXNPFEDSA-N 0 0 451.419 4.778 20 0 JJADRN C[C@]12CN(C(=O)[C@H](NCC(F)(F)F)c3cc(Br)cs3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001456506162 1066605089 /nfs/dbraw/zinc/60/50/89/1066605089.db2.gz IZCCJNXWGIHMCM-FHSYMAMWSA-N 0 0 451.352 4.598 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2c(=O)[nH]nc(CC)c2CC)cc1 ZINC001445696787 1066605622 /nfs/dbraw/zinc/60/56/22/1066605622.db2.gz YDCCEDZSCMFICQ-UHFFFAOYSA-N 0 0 455.562 4.652 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256956 1066605665 /nfs/dbraw/zinc/60/56/65/1066605665.db2.gz IWGFKJJBJJPEIK-SIKDUDHDSA-N 0 0 450.941 4.948 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256954 1066605672 /nfs/dbraw/zinc/60/56/72/1066605672.db2.gz IWGFKJJBJJPEIK-NCUBBLFSSA-N 0 0 450.941 4.948 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546082933 1066605687 /nfs/dbraw/zinc/60/56/87/1066605687.db2.gz GFUMTMWGAYBEOB-FQRUVTKNSA-N 0 0 483.657 4.667 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC001445695431 1066605667 /nfs/dbraw/zinc/60/56/67/1066605667.db2.gz CRSLUIWXFZADTG-JXXFODFXSA-N 0 0 454.546 4.785 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(I)cc2)o1 ZINC001361257668 1066605683 /nfs/dbraw/zinc/60/56/83/1066605683.db2.gz GDIBRIZZYVTQQL-UHFFFAOYSA-N 0 0 464.351 4.667 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2cccc(Cl)c2)CCCCC1 ZINC001445701306 1066606345 /nfs/dbraw/zinc/60/63/45/1066606345.db2.gz CYPYFBDYVCBIQE-LJQANCHMSA-N 0 0 450.362 4.816 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001445703578 1066606364 /nfs/dbraw/zinc/60/63/64/1066606364.db2.gz FNWHOYJKXCZTKE-LJQANCHMSA-N 0 0 450.362 4.717 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CCOc2ccc(Cl)cn2)o1 ZINC001361258119 1066606975 /nfs/dbraw/zinc/60/69/75/1066606975.db2.gz OVOJNKIVCPWVPI-UHFFFAOYSA-N 0 0 451.958 4.843 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001445703859 1066607014 /nfs/dbraw/zinc/60/70/14/1066607014.db2.gz PSFJQCDZLLPOCQ-IEBWSBKVSA-N 0 0 458.356 4.736 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001445703853 1066607023 /nfs/dbraw/zinc/60/70/23/1066607023.db2.gz PSFJQCDZLLPOCQ-HKUYNNGSSA-N 0 0 458.356 4.736 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001445703867 1066607093 /nfs/dbraw/zinc/60/70/93/1066607093.db2.gz PSFJQCDZLLPOCQ-MJGOQNOKSA-N 0 0 458.356 4.736 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001445705934 1066607459 /nfs/dbraw/zinc/60/74/59/1066607459.db2.gz HUTIDOVMXLFVKE-CQSZACIVSA-N 0 0 457.857 4.808 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc(C)c1OCc1cccnc1 ZINC001456512186 1066607447 /nfs/dbraw/zinc/60/74/47/1066607447.db2.gz HTUHHANXXKQIQH-GOSISDBHSA-N 0 0 456.468 4.716 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCSCC(F)(F)F)CCO1 ZINC001546082954 1066607479 /nfs/dbraw/zinc/60/74/79/1066607479.db2.gz GTJGRPHOMWZWNC-MGPUTAFESA-N 0 0 476.540 4.858 20 0 JJADRN CCC(CC)n1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)n1 ZINC001361258426 1066607494 /nfs/dbraw/zinc/60/74/94/1066607494.db2.gz XCJFWTNYTCVVJG-JOCHJYFZSA-N 0 0 459.999 4.821 20 0 JJADRN C/C=C\COc1cccc(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445705588 1066607695 /nfs/dbraw/zinc/60/76/95/1066607695.db2.gz CLDUOERHDIULOT-BAHPRDJBSA-N 0 0 453.892 4.646 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc(C)c1OCc1cccnc1 ZINC001456512188 1066607672 /nfs/dbraw/zinc/60/76/72/1066607672.db2.gz HTUHHANXXKQIQH-SFHVURJKSA-N 0 0 456.468 4.716 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)COc2cccc(Br)c2)c1 ZINC001456513914 1066608476 /nfs/dbraw/zinc/60/84/76/1066608476.db2.gz IQJDTVQEIRLEMH-UHFFFAOYSA-N 0 0 452.308 4.814 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC2CCOCC2)CCO1 ZINC001546082965 1066608574 /nfs/dbraw/zinc/60/85/74/1066608574.db2.gz GYTYOMRBCKUJPM-CLOONOSVSA-N 0 0 493.048 4.663 20 0 JJADRN CCOC(=O)N1CCC(C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)CC1 ZINC001456515017 1066608587 /nfs/dbraw/zinc/60/85/87/1066608587.db2.gz ATSOFQXJWMANKZ-UHFFFAOYSA-N 0 0 452.536 4.804 20 0 JJADRN CC1(C)C[C@@H](C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccccc2O1 ZINC001445715800 1066609125 /nfs/dbraw/zinc/60/91/25/1066609125.db2.gz XZCZMYNRNAFOBJ-GOEBONIOSA-N 0 0 453.892 4.794 20 0 JJADRN CC1(C)C[C@H](C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccccc2O1 ZINC001445715801 1066609149 /nfs/dbraw/zinc/60/91/49/1066609149.db2.gz XZCZMYNRNAFOBJ-HOCLYGCPSA-N 0 0 453.892 4.794 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(=O)N(C)C)cc2)s1 ZINC001361259132 1066609731 /nfs/dbraw/zinc/60/97/31/1066609731.db2.gz RKHUOVXFRFNBRE-UHFFFAOYSA-N 0 0 495.678 4.782 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361259153 1066609799 /nfs/dbraw/zinc/60/97/99/1066609799.db2.gz SCHWAFRJFZQIRX-UHFFFAOYSA-N 0 0 457.456 4.749 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)C(C)(C)C)s1 ZINC001361259134 1066609842 /nfs/dbraw/zinc/60/98/42/1066609842.db2.gz RMKYGIXYUDBKRC-UHFFFAOYSA-N 0 0 485.679 4.501 20 0 JJADRN CC[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)c1ccccc1 ZINC001545978186 1066609874 /nfs/dbraw/zinc/60/98/74/1066609874.db2.gz YPRWIVXPPKYCRW-QGZVFWFLSA-N 0 0 476.597 4.523 20 0 JJADRN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001445716460 1066609897 /nfs/dbraw/zinc/60/98/97/1066609897.db2.gz WADSWMWYCAOLIB-INIZCTEOSA-N 0 0 459.450 4.567 20 0 JJADRN COc1cccc2c1CC[C@@H]2NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001445717172 1066609962 /nfs/dbraw/zinc/60/99/62/1066609962.db2.gz BSNZKRSXUCTZGW-SFHVURJKSA-N 0 0 457.596 4.684 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOCC2(C)C)o1 ZINC001361260929 1066610303 /nfs/dbraw/zinc/61/03/03/1066610303.db2.gz AQGOUQSSWRUAJG-UHFFFAOYSA-N 0 0 495.668 4.803 20 0 JJADRN CC(C)(C(=O)NCc1ccc(Br)cc1N1CCOCC1)c1ccccc1Cl ZINC001445719827 1066610364 /nfs/dbraw/zinc/61/03/64/1066610364.db2.gz MFMGSBGZAWLMLQ-UHFFFAOYSA-N 0 0 451.792 4.533 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)nc2)cc1 ZINC001456519361 1066610451 /nfs/dbraw/zinc/61/04/51/1066610451.db2.gz NSGPSHNVQKJGTO-LAUBAEHRSA-N 0 0 455.555 4.696 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)c1noc(C)n1 ZINC001456518316 1066610523 /nfs/dbraw/zinc/61/05/23/1066610523.db2.gz LUXWXEMENHTDBU-GOSISDBHSA-N 0 0 454.939 4.991 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1noc(C)n1 ZINC001456519365 1066610529 /nfs/dbraw/zinc/61/05/29/1066610529.db2.gz PWDYGAPINNOVAW-NRFANRHFSA-N 0 0 450.882 4.747 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001456521307 1066611216 /nfs/dbraw/zinc/61/12/16/1066611216.db2.gz WVARIIQVFQPLCX-AHKZPQOWSA-N 0 0 456.586 4.761 20 0 JJADRN CN(C)c1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c(F)c1 ZINC001456520589 1066611241 /nfs/dbraw/zinc/61/12/41/1066611241.db2.gz ZZEDKYTWCUTIEQ-UHFFFAOYSA-N 0 0 455.574 4.590 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001456523508 1066612295 /nfs/dbraw/zinc/61/22/95/1066612295.db2.gz RHTOYQVJEOKYTK-XMMPIXPASA-N 0 0 455.938 4.902 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ncc(C)s2)s1 ZINC001361261259 1066612365 /nfs/dbraw/zinc/61/23/65/1066612365.db2.gz MQQICCHIHHNVDF-AWEZNQCLSA-N 0 0 486.692 4.845 20 0 JJADRN O=C(NCc1cnn(CCF)c1)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001456523803 1066612434 /nfs/dbraw/zinc/61/24/34/1066612434.db2.gz LDWLGYKHIQJGRJ-UHFFFAOYSA-N 0 0 458.493 4.827 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445729558 1066612533 /nfs/dbraw/zinc/61/25/33/1066612533.db2.gz ZMTNCBMWPQILTK-QFIPXVFZSA-N 0 0 450.336 4.560 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3csc(N(C)c4ccccc4)n3)C2)cc(OC)c1 ZINC001445731058 1066612556 /nfs/dbraw/zinc/61/25/56/1066612556.db2.gz RWWBAXMBOIROKH-QGZVFWFLSA-N 0 0 452.580 4.645 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC001445731601 1066612561 /nfs/dbraw/zinc/61/25/61/1066612561.db2.gz PJFDSYSPXCMUEE-MCMMXHMISA-N 0 0 450.341 4.716 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1C ZINC001456524457 1066612806 /nfs/dbraw/zinc/61/28/06/1066612806.db2.gz LVNKMVCHZNIPPN-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCNC(=O)OC(C)(C)C)s1 ZINC001361261379 1066612873 /nfs/dbraw/zinc/61/28/73/1066612873.db2.gz RAGKHKCXBJNWHJ-UHFFFAOYSA-N 0 0 475.590 4.527 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)NC[C@@H](CO)Cc3ccccc3C(F)(F)F)c2C(C)C)cc1 ZINC001445737817 1066613050 /nfs/dbraw/zinc/61/30/50/1066613050.db2.gz FSSRKHLBIXVASO-SFHVURJKSA-N 0 0 459.512 4.904 20 0 JJADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C2CCC(C)CC2)c(OCC(F)(F)F)c1 ZINC001361261426 1066613728 /nfs/dbraw/zinc/61/37/28/1066613728.db2.gz ANBAOXCKSXDUEW-UHFFFAOYSA-N 0 0 493.574 4.827 20 0 JJADRN COC(=O)Cc1csc(N(C)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC001456529342 1066614079 /nfs/dbraw/zinc/61/40/79/1066614079.db2.gz QHHLAPRTKJZDKN-ONEGZZNKSA-N 0 0 452.376 4.572 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@H](O)c1ccc(F)cc1 ZINC001445750996 1066614671 /nfs/dbraw/zinc/61/46/71/1066614671.db2.gz YPVYSXGCAZIYNE-BTYIYWSLSA-N 0 0 458.559 4.513 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCOc2ccccc2C)s1 ZINC001361261886 1066615008 /nfs/dbraw/zinc/61/50/08/1066615008.db2.gz ZRJDMCLPJXAVLP-UHFFFAOYSA-N 0 0 481.647 4.663 20 0 JJADRN Nc1cc(Br)c(F)cc1C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456531782 1066615057 /nfs/dbraw/zinc/61/50/57/1066615057.db2.gz SAROVOYYVJRSNT-ZDUSSCGKSA-N 0 0 456.153 4.780 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(CC(C)C)n2CCc2nccnc2C)s1 ZINC001361262168 1066615360 /nfs/dbraw/zinc/61/53/60/1066615360.db2.gz UUBAHXXMCGJLNN-UHFFFAOYSA-N 0 0 450.612 4.987 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)C)s1 ZINC001361262116 1066615399 /nfs/dbraw/zinc/61/53/99/1066615399.db2.gz SAQGEEXBWWCHTK-LJQANCHMSA-N 0 0 476.668 4.786 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361262086 1066615423 /nfs/dbraw/zinc/61/54/23/1066615423.db2.gz QHOORWJJNNIHAJ-OYRHEFFESA-N 0 0 494.640 4.701 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)o1 ZINC001361262212 1066615459 /nfs/dbraw/zinc/61/54/59/1066615459.db2.gz WQBQWILKFOCACC-SLFFLAALSA-N 0 0 455.603 4.943 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)Nc3c(-c4ccc(Br)cc4)nc(C)n3C)cc2)c1 ZINC001456533843 1066615395 /nfs/dbraw/zinc/61/53/95/1066615395.db2.gz FROVSULJSPRJET-UHFFFAOYSA-N 0 0 450.340 4.904 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 ZINC001456533462 1066615508 /nfs/dbraw/zinc/61/55/08/1066615508.db2.gz VYCHFEMZFVRKEP-HXUWFJFHSA-N 0 0 452.507 4.602 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC[C@@H]1c1ccc(C)o1 ZINC001456532622 1066615536 /nfs/dbraw/zinc/61/55/36/1066615536.db2.gz DEVPORFTDDTXHM-WOJBJXKFSA-N 0 0 450.495 4.779 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)C)s1 ZINC001361262115 1066615492 /nfs/dbraw/zinc/61/54/92/1066615492.db2.gz SAQGEEXBWWCHTK-IBGZPJMESA-N 0 0 476.668 4.786 20 0 JJADRN Cc1ccccc1-c1nc(CNC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)no1 ZINC001445777907 1066615836 /nfs/dbraw/zinc/61/58/36/1066615836.db2.gz LUMVGBYJCWXKEM-DEOSSOPVSA-N 0 0 458.537 4.702 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CSc1nc(C)nc2sc(C)c(C)c21)c1ccccc1C ZINC001361262392 1066616042 /nfs/dbraw/zinc/61/60/42/1066616042.db2.gz FDYPVHUHPZDAKP-SFHVURJKSA-N 0 0 457.621 4.828 20 0 JJADRN COC[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C ZINC001456535323 1066616157 /nfs/dbraw/zinc/61/61/57/1066616157.db2.gz JMLGQPQTJCCQAW-QGZVFWFLSA-N 0 0 459.443 4.787 20 0 JJADRN COC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(C)C ZINC001456537090 1066616791 /nfs/dbraw/zinc/61/67/91/1066616791.db2.gz SHKPXQZJJBRILQ-QFIPXVFZSA-N 0 0 456.970 4.630 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC001361264979 1066617402 /nfs/dbraw/zinc/61/74/02/1066617402.db2.gz APQHYNFFQOXEQE-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001445787484 1066617550 /nfs/dbraw/zinc/61/75/50/1066617550.db2.gz XRSVMHGLUGGCAH-DVECYGJZSA-N 0 0 457.542 4.971 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 ZINC001456537844 1066618047 /nfs/dbraw/zinc/61/80/47/1066618047.db2.gz WLMVYDOMVFNMEH-UHFFFAOYSA-N 0 0 457.328 4.979 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2)n1C ZINC001456537625 1066618059 /nfs/dbraw/zinc/61/80/59/1066618059.db2.gz WXEPCGMMCPYKLM-UHFFFAOYSA-N 0 0 454.303 4.735 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc2C)ccn1 ZINC001361265531 1066617974 /nfs/dbraw/zinc/61/79/74/1066617974.db2.gz BUQIEAPJBYZAGO-UHFFFAOYSA-N 0 0 459.531 4.621 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001445790411 1066617976 /nfs/dbraw/zinc/61/79/76/1066617976.db2.gz AVZUZSKBLMEXEI-GMVOTWDCSA-N 0 0 455.357 4.515 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001445792154 1066618133 /nfs/dbraw/zinc/61/81/33/1066618133.db2.gz CJWFQYHISUGLDN-ASSNKEHSSA-N 0 0 456.905 4.917 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C=O)o2)ccc1O ZINC001445791651 1066618180 /nfs/dbraw/zinc/61/81/80/1066618180.db2.gz FOCWWPQFEBLDET-AYHJJNSGSA-N 0 0 454.523 4.515 20 0 JJADRN COc1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC001361266377 1066618600 /nfs/dbraw/zinc/61/86/00/1066618600.db2.gz SYYLFNYGUWRPPX-UHFFFAOYSA-N 0 0 456.608 4.707 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(NC(C)=O)c(F)c2)cc1OC ZINC001361267321 1066619278 /nfs/dbraw/zinc/61/92/78/1066619278.db2.gz IDTUARYFANXNGJ-UHFFFAOYSA-N 0 0 456.539 4.748 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)s1 ZINC001361267025 1066619387 /nfs/dbraw/zinc/61/93/87/1066619387.db2.gz JHFIYQGTXZYJHS-MRXNPFEDSA-N 0 0 476.046 4.841 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](O)COCC2CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001445797516 1066620040 /nfs/dbraw/zinc/62/00/40/1066620040.db2.gz IYFDXIMESWNSRH-HNAYVOBHSA-N 0 0 451.394 4.992 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC001445797802 1066620081 /nfs/dbraw/zinc/62/00/81/1066620081.db2.gz IGUUZNSBWMODME-ZMZPIMSZSA-N 0 0 456.739 4.520 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC001445797800 1066620089 /nfs/dbraw/zinc/62/00/89/1066620089.db2.gz IGUUZNSBWMODME-VOJFVSQTSA-N 0 0 456.739 4.520 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CCO1 ZINC001546083187 1066620660 /nfs/dbraw/zinc/62/06/60/1066620660.db2.gz JUDBCBOBMMKHGQ-QMHKHESXSA-N 0 0 459.591 4.684 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCOC(C)(C)[C@@H]2C)c(F)c1 ZINC001361268020 1066620560 /nfs/dbraw/zinc/62/05/60/1066620560.db2.gz GSLLPOFGTMHIOT-HNNXBMFYSA-N 0 0 476.394 4.546 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1OCC1CC1 ZINC001361267985 1066620645 /nfs/dbraw/zinc/62/06/45/1066620645.db2.gz FYODRAPOCSXSPY-QFIPXVFZSA-N 0 0 483.657 4.815 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(=O)n1C ZINC001361267858 1066620766 /nfs/dbraw/zinc/62/07/66/1066620766.db2.gz PSLMDPRRGVANKI-PKOBYXMFSA-N 0 0 484.044 4.999 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)o2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361268254 1066621319 /nfs/dbraw/zinc/62/13/19/1066621319.db2.gz RLEXVUGJXAXGCT-UHFFFAOYSA-N 0 0 473.293 4.876 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 ZINC001361268239 1066621376 /nfs/dbraw/zinc/62/13/76/1066621376.db2.gz IMAXCXFNLYGBET-OAHLLOKOSA-N 0 0 483.947 4.522 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1ccc(Br)c(OC)c1 ZINC001456544789 1066621402 /nfs/dbraw/zinc/62/14/02/1066621402.db2.gz MDRGEVUJCHTTJP-UHFFFAOYSA-N 0 0 456.178 4.801 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(CCC(C)C)C2CC2)c(=O)n1C ZINC001361268970 1066622495 /nfs/dbraw/zinc/62/24/95/1066622495.db2.gz ZCIXWBUKSYOHAO-LJQANCHMSA-N 0 0 467.589 4.628 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOC(C)(C)C)c(F)c1 ZINC001361268831 1066622593 /nfs/dbraw/zinc/62/25/93/1066622593.db2.gz RRMJQMUKKFSSCN-UHFFFAOYSA-N 0 0 464.383 4.783 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445815195 1066622639 /nfs/dbraw/zinc/62/26/39/1066622639.db2.gz KSUROXJQRRLVBV-CZIZLABSSA-N 0 0 451.272 4.878 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001445815149 1066622677 /nfs/dbraw/zinc/62/26/77/1066622677.db2.gz GLSGGHPCENTUQO-ZBFHGGJFSA-N 0 0 459.400 4.967 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001456547848 1066622676 /nfs/dbraw/zinc/62/26/76/1066622676.db2.gz RVZJNOKVVSWRFI-YADARESESA-N 0 0 459.428 4.959 20 0 JJADRN CC1(C)CN(C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C(C)(C)CO1 ZINC001456547783 1066622693 /nfs/dbraw/zinc/62/26/93/1066622693.db2.gz QFVLSOXWCPHTRR-UHFFFAOYSA-N 0 0 457.621 4.713 20 0 JJADRN CN(c1ccccc1)C1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001361269365 1066622918 /nfs/dbraw/zinc/62/29/18/1066622918.db2.gz IFXDFCKBFASZPQ-HSZRJFAPSA-N 0 0 455.574 4.561 20 0 JJADRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001456550298 1066622962 /nfs/dbraw/zinc/62/29/62/1066622962.db2.gz HGGVHWLIBITPHF-RTWAWAEBSA-N 0 0 456.048 4.870 20 0 JJADRN C[C@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445818749 1066623016 /nfs/dbraw/zinc/62/30/16/1066623016.db2.gz ZDNLKZWBLSBCQL-VBKZILBWSA-N 0 0 451.394 4.963 20 0 JJADRN C[C@@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445818767 1066623107 /nfs/dbraw/zinc/62/31/07/1066623107.db2.gz ZDNLKZWBLSBCQL-VLIAUNLRSA-N 0 0 451.394 4.963 20 0 JJADRN O=C(CCc1cccc(OC2CCCC2)c1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC001445820058 1066623654 /nfs/dbraw/zinc/62/36/54/1066623654.db2.gz JVXFGRADWSHWPL-KRWDZBQOSA-N 0 0 452.378 4.804 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC001361269523 1066623861 /nfs/dbraw/zinc/62/38/61/1066623861.db2.gz KPSPALVCRSDERB-MUUNZHRXSA-N 0 0 457.618 4.651 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445827408 1066624269 /nfs/dbraw/zinc/62/42/69/1066624269.db2.gz SCTBFWARGIYQPD-OALUTQOASA-N 0 0 455.640 4.660 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)cc2cccnc21 ZINC001445831815 1066624360 /nfs/dbraw/zinc/62/43/60/1066624360.db2.gz WWMGJEMSKDNSAM-INIZCTEOSA-N 0 0 450.377 4.811 20 0 JJADRN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001456561655 1066624848 /nfs/dbraw/zinc/62/48/48/1066624848.db2.gz NNXWMRAKHYZTED-UHFFFAOYSA-N 0 0 459.653 4.892 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2c3nc[nH]c3ccc2F)c1 ZINC001445842577 1066625572 /nfs/dbraw/zinc/62/55/72/1066625572.db2.gz IWHREQAGKVXOLL-UHFFFAOYSA-N 0 0 456.886 4.941 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)c2cccs2)c(=O)n1C ZINC001361271969 1066625598 /nfs/dbraw/zinc/62/55/98/1066625598.db2.gz HCAGVVXMCNKKFE-INIZCTEOSA-N 0 0 453.999 4.913 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001456562830 1066625707 /nfs/dbraw/zinc/62/57/07/1066625707.db2.gz PBOAUUQAKLQMMF-UHFFFAOYSA-N 0 0 455.395 4.597 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H](C)c2nccs2)cn1 ZINC001361272085 1066625627 /nfs/dbraw/zinc/62/56/27/1066625627.db2.gz BXZPBONTQKHENJ-HNNXBMFYSA-N 0 0 470.549 4.995 20 0 JJADRN CC(C)c1nnc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)s1 ZINC001456564450 1066626481 /nfs/dbraw/zinc/62/64/81/1066626481.db2.gz JSAUDGFKPIDRII-SFHVURJKSA-N 0 0 455.365 4.504 20 0 JJADRN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001456564950 1066627052 /nfs/dbraw/zinc/62/70/52/1066627052.db2.gz HGKCUJWVDJZAHC-LJQANCHMSA-N 0 0 454.617 4.551 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H](c2ccsc2)O1 ZINC001445860967 1066627897 /nfs/dbraw/zinc/62/78/97/1066627897.db2.gz WZMASQNVTMTWGT-BEFAXECRSA-N 0 0 450.398 4.547 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1 ZINC001445864467 1066627915 /nfs/dbraw/zinc/62/79/15/1066627915.db2.gz HNUOXRPCEFCQQF-QFBILLFUSA-N 0 0 452.356 4.727 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2cscn2)cn1 ZINC001361272932 1066628117 /nfs/dbraw/zinc/62/81/17/1066628117.db2.gz MDGQFIXBXFGTSG-UHFFFAOYSA-N 0 0 469.412 4.861 20 0 JJADRN Cc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC001361272971 1066628187 /nfs/dbraw/zinc/62/81/87/1066628187.db2.gz MLLMEBZWOVMICL-FHWLQOOXSA-N 0 0 486.707 4.746 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCN(CC(F)(F)F)CC2)c(F)c1 ZINC001361273119 1066628217 /nfs/dbraw/zinc/62/82/17/1066628217.db2.gz WDJLUKDXQFFHIR-UHFFFAOYSA-N 0 0 482.913 4.564 20 0 JJADRN O=C(Nc1c(F)cccc1F)C1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001445864565 1066628471 /nfs/dbraw/zinc/62/84/71/1066628471.db2.gz OJHNWOIVNNWSGI-ZDUSSCGKSA-N 0 0 455.288 4.670 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1cc(F)ccc1F ZINC001456570614 1066628447 /nfs/dbraw/zinc/62/84/47/1066628447.db2.gz UDRAFVAWMLGYLH-AWEZNQCLSA-N 0 0 455.690 4.843 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)COC)CCO1 ZINC001546083511 1066629078 /nfs/dbraw/zinc/62/90/78/1066629078.db2.gz OPWLWSOPUGZRCM-OSPHWJPCSA-N 0 0 455.628 4.665 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC001545979430 1066629106 /nfs/dbraw/zinc/62/91/06/1066629106.db2.gz AGEXWQILAYZDQU-SFHVURJKSA-N 0 0 459.516 4.736 20 0 JJADRN COc1ccc(-c2cncc(C(=O)NC[C@@H](CO)Cc3ccc(C(F)(F)F)cc3)c2)c(C)c1 ZINC001445868403 1066629195 /nfs/dbraw/zinc/62/91/95/1066629195.db2.gz MADNHUYNIHVSNK-SFHVURJKSA-N 0 0 458.480 4.665 20 0 JJADRN CCOc1cc(CCCNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)ccc1OC ZINC001456572855 1066629157 /nfs/dbraw/zinc/62/91/57/1066629157.db2.gz YPOLZTSVCYATEH-UHFFFAOYSA-N 0 0 458.562 4.714 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2ccc(C)cc2F)o1 ZINC001361273281 1066629446 /nfs/dbraw/zinc/62/94/46/1066629446.db2.gz QJCSVHSRFLMVLL-KRWDZBQOSA-N 0 0 452.452 4.890 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n1 ZINC001361273388 1066629459 /nfs/dbraw/zinc/62/94/59/1066629459.db2.gz PLASPSKMPQHFHN-ZDUSSCGKSA-N 0 0 450.322 4.947 20 0 JJADRN CCCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001456577001 1066629671 /nfs/dbraw/zinc/62/96/71/1066629671.db2.gz KBVOCTQSFCFEMT-VQTJNVASSA-N 0 0 458.672 4.967 20 0 JJADRN COc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(OC2CCCC2)c1 ZINC001445871649 1066629664 /nfs/dbraw/zinc/62/96/64/1066629664.db2.gz SSJUEPPCTTWCKL-KRWDZBQOSA-N 0 0 451.485 4.616 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1cc(Br)cc(N)c1N)[C@H](c1ccccc1)C2 ZINC001445875992 1066629699 /nfs/dbraw/zinc/62/96/99/1066629699.db2.gz ZEMPSPHWERKJAD-NRFANRHFSA-N 0 0 452.352 4.562 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC001445871700 1066629734 /nfs/dbraw/zinc/62/97/34/1066629734.db2.gz UHMZYGPQMNEOBX-AWEZNQCLSA-N 0 0 456.386 4.853 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCS[C@H](C)[C@H]2C)cn1 ZINC001361273518 1066630215 /nfs/dbraw/zinc/63/02/15/1066630215.db2.gz SOGSXKVUQSXZJG-HUUCEWRRSA-N 0 0 476.419 4.929 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)COc2c(Cl)cccc2Cl)n1 ZINC001361273514 1066630299 /nfs/dbraw/zinc/63/02/99/1066630299.db2.gz RKSAHKCBENPYRO-UHFFFAOYSA-N 0 0 456.713 4.903 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC001445883992 1066630435 /nfs/dbraw/zinc/63/04/35/1066630435.db2.gz DXQAFYBPQNZJQM-ZNZDAUKMSA-N 0 0 452.523 4.581 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2nc(Br)c3ccccn32)cc1 ZINC001456580886 1066630929 /nfs/dbraw/zinc/63/09/29/1066630929.db2.gz CQXLLJCMMMDSFC-UHFFFAOYSA-N 0 0 450.336 4.995 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001456581828 1066631693 /nfs/dbraw/zinc/63/16/93/1066631693.db2.gz DAVKEAOJPCNRHM-XUZZJYLKSA-N 0 0 453.579 4.798 20 0 JJADRN CCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)cc1S(C)(=O)=O ZINC001361274691 1066631724 /nfs/dbraw/zinc/63/17/24/1066631724.db2.gz MHUYKAKSTBFIHI-UHFFFAOYSA-N 0 0 457.592 4.602 20 0 JJADRN COc1cc(-c2noc(CCCCCNC(=O)c3cc(C4CC4)cnc3Cl)n2)ccc1O ZINC001445895020 1066631838 /nfs/dbraw/zinc/63/18/38/1066631838.db2.gz UBTJEFBCCGWHII-UHFFFAOYSA-N 0 0 456.930 4.519 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(CCO)Cc2ccc(Br)s2)s1 ZINC001361275341 1066632102 /nfs/dbraw/zinc/63/21/02/1066632102.db2.gz PYNTZTVRWNMUFB-UHFFFAOYSA-N 0 0 490.452 4.581 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361275106 1066632286 /nfs/dbraw/zinc/63/22/86/1066632286.db2.gz OBAIPQHVYLLIAO-UHFFFAOYSA-N 0 0 476.625 4.841 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[C@H](Nc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001445904949 1066632921 /nfs/dbraw/zinc/63/29/21/1066632921.db2.gz UPMPVIURIKBBGT-WMZOPIPTSA-N 0 0 456.637 4.739 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001361276090 1066633621 /nfs/dbraw/zinc/63/36/21/1066633621.db2.gz TYMDKNIKUJXLLM-INIZCTEOSA-N 0 0 451.910 4.992 20 0 JJADRN Cc1cccc([C@@H](O)CNC(=O)CCCCCc2ccc(I)cc2)c1 ZINC001445908865 1066633766 /nfs/dbraw/zinc/63/37/66/1066633766.db2.gz LVSRJXKLKMEVMN-FQEVSTJZSA-N 0 0 451.348 4.552 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001445911846 1066633778 /nfs/dbraw/zinc/63/37/78/1066633778.db2.gz QWUHWUQVNVYCRS-AWEZNQCLSA-N 0 0 459.390 4.667 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CSc1ccccc1Cl ZINC001445911734 1066633817 /nfs/dbraw/zinc/63/38/17/1066633817.db2.gz OWGKJDMTVRHRSZ-UHFFFAOYSA-N 0 0 452.907 4.796 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001445912744 1066633826 /nfs/dbraw/zinc/63/38/26/1066633826.db2.gz RHBAAAMYJIPFES-GHMZBOCLSA-N 0 0 452.907 4.869 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc([C@H](C)OCC(C)C)no2)c(C)c1 ZINC001361276688 1066634083 /nfs/dbraw/zinc/63/40/83/1066634083.db2.gz IZVZBGFCKOETQV-IBGZPJMESA-N 0 0 463.586 4.691 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCC[C@@H](CC)C3)c2)cc1 ZINC001456588329 1066634362 /nfs/dbraw/zinc/63/43/62/1066634362.db2.gz DSRLMKWSQZUEQJ-WOJBJXKFSA-N 0 0 458.624 4.917 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCC[C@H](CC)C3)c2)cc1 ZINC001456588325 1066634489 /nfs/dbraw/zinc/63/44/89/1066634489.db2.gz DSRLMKWSQZUEQJ-VQTJNVASSA-N 0 0 458.624 4.917 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001445916494 1066635070 /nfs/dbraw/zinc/63/50/70/1066635070.db2.gz DIEPNHVOELAMAR-HNNXBMFYSA-N 0 0 452.860 4.815 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC001456590013 1066635016 /nfs/dbraw/zinc/63/50/16/1066635016.db2.gz FSMDEPRCOJNCPW-UHFFFAOYSA-N 0 0 459.568 4.567 20 0 JJADRN CCc1cc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)ccc1Br ZINC001456589569 1066635059 /nfs/dbraw/zinc/63/50/59/1066635059.db2.gz KVUYBONGNDVQMI-UHFFFAOYSA-N 0 0 452.352 4.613 20 0 JJADRN CSCC[C@H](C)N(C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C ZINC001456590859 1066635078 /nfs/dbraw/zinc/63/50/78/1066635078.db2.gz HEFUAPSYTBVOTD-INIZCTEOSA-N 0 0 454.596 4.664 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361278134 1066635466 /nfs/dbraw/zinc/63/54/66/1066635466.db2.gz OOTHXTUOFBRHCA-VQTJNVASSA-N 0 0 494.615 4.884 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)C1 ZINC001456591279 1066635600 /nfs/dbraw/zinc/63/56/00/1066635600.db2.gz MBLFWLYFSCESHR-QFIPXVFZSA-N 0 0 452.473 4.933 20 0 JJADRN CC(C)CO[C@@H]1CCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445934391 1066636807 /nfs/dbraw/zinc/63/68/07/1066636807.db2.gz NBEVEZIJPGSJRA-HXUWFJFHSA-N 0 0 450.579 4.531 20 0 JJADRN CCOc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc(I)cc1 ZINC001445932222 1066636854 /nfs/dbraw/zinc/63/68/54/1066636854.db2.gz LIZBUVFZEWENSU-UHFFFAOYSA-N 0 0 457.695 4.945 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC001361280140 1066637425 /nfs/dbraw/zinc/63/74/25/1066637425.db2.gz XDTUFTHBBNERTL-BKMJKUGQSA-N 0 0 456.586 4.670 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](COC)C1)Oc1ccccc1F ZINC001545979917 1066637483 /nfs/dbraw/zinc/63/74/83/1066637483.db2.gz KTZHMWLPZDHAKO-VQTJNVASSA-N 0 0 453.562 4.508 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC001445941230 1066637514 /nfs/dbraw/zinc/63/75/14/1066637514.db2.gz VHILFRQWKVCTKL-LEWJYISDSA-N 0 0 457.496 4.850 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001456599492 1066637985 /nfs/dbraw/zinc/63/79/85/1066637985.db2.gz RECNGVOKMBANHY-IBGZPJMESA-N 0 0 453.452 4.834 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC001456600100 1066638047 /nfs/dbraw/zinc/63/80/47/1066638047.db2.gz ZRDQQEGBCJANIS-UHFFFAOYSA-N 0 0 450.510 4.783 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001445942770 1066638159 /nfs/dbraw/zinc/63/81/59/1066638159.db2.gz XYKXGYXGBDTZAS-RPBOFIJWSA-N 0 0 450.485 4.529 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1 ZINC001361280933 1066638177 /nfs/dbraw/zinc/63/81/77/1066638177.db2.gz SDRTWUBQWLVKLS-QFIPXVFZSA-N 0 0 494.640 4.991 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001445942764 1066638202 /nfs/dbraw/zinc/63/82/02/1066638202.db2.gz XYKXGYXGBDTZAS-JWQCQUIFSA-N 0 0 450.485 4.529 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)o1 ZINC001456600350 1066638652 /nfs/dbraw/zinc/63/86/52/1066638652.db2.gz KSTHTLKIPIALKW-QFIPXVFZSA-N 0 0 452.555 4.514 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456600563 1066638672 /nfs/dbraw/zinc/63/86/72/1066638672.db2.gz FDXPAENOLRJHML-NQHRYMMQSA-N 0 0 452.595 4.938 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCC2CCOCC2)CCO1 ZINC001546083638 1066638696 /nfs/dbraw/zinc/63/86/96/1066638696.db2.gz QNGCIYHPYKLWHL-QFIPXVFZSA-N 0 0 463.420 4.530 20 0 JJADRN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001445945261 1066638819 /nfs/dbraw/zinc/63/88/19/1066638819.db2.gz UEUZTIPPQYYSME-MHWRWJLKSA-N 0 0 453.367 4.771 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361281302 1066639291 /nfs/dbraw/zinc/63/92/91/1066639291.db2.gz BQHFLJGXNLSBCS-SFTDATJTSA-N 0 0 496.574 4.721 20 0 JJADRN COc1cc(/C=C\C(=O)N2CCc3c(F)ccc(F)c3C2)ccc1OCc1c(C)noc1C ZINC001361281642 1066639380 /nfs/dbraw/zinc/63/93/80/1066639380.db2.gz ATCHWQJVJDWEFQ-UITAMQMPSA-N 0 0 454.473 4.755 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)c(F)c1 ZINC001361282215 1066640100 /nfs/dbraw/zinc/64/01/00/1066640100.db2.gz PQEMCXWOTUKFMR-AZUAARDMSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)c(F)c1 ZINC001361282216 1066640178 /nfs/dbraw/zinc/64/01/78/1066640178.db2.gz PQEMCXWOTUKFMR-ICSRJNTNSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001361282035 1066640193 /nfs/dbraw/zinc/64/01/93/1066640193.db2.gz NIMJRYCCOMBLLG-PKOBYXMFSA-N 0 0 489.686 4.815 20 0 JJADRN COc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1CO ZINC001445967475 1066640412 /nfs/dbraw/zinc/64/04/12/1066640412.db2.gz GDNJRBBZRXQGOC-UHFFFAOYSA-N 0 0 455.102 4.711 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCSC[C@@H]2C)c(F)c1 ZINC001361283041 1066640914 /nfs/dbraw/zinc/64/09/14/1066640914.db2.gz YXLFBIKTTKJALF-ICSRJNTNSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCS[C@@H](C)C2)c(F)c1 ZINC001361282759 1066640951 /nfs/dbraw/zinc/64/09/51/1066640951.db2.gz WQDPCZWCBVKHAB-SFHVURJKSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361283079 1066641426 /nfs/dbraw/zinc/64/14/26/1066641426.db2.gz ZPADUWXQXDHNGC-XMMPIXPASA-N 0 0 497.684 4.921 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361283068 1066641441 /nfs/dbraw/zinc/64/14/41/1066641441.db2.gz ZJRCUEWUAGGGLV-GMAHTHKFSA-N 0 0 483.657 4.530 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC001456606151 1066641491 /nfs/dbraw/zinc/64/14/91/1066641491.db2.gz LWVNGSKQZVEELQ-IYBDPMFKSA-N 0 0 458.942 4.547 20 0 JJADRN CCn1ncc(C(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)c1Br ZINC001361283819 1066641564 /nfs/dbraw/zinc/64/15/64/1066641564.db2.gz HFEKHRMTALFPJB-QGZVFWFLSA-N 0 0 456.384 4.914 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361283069 1066641603 /nfs/dbraw/zinc/64/16/03/1066641603.db2.gz ZJRCUEWUAGGGLV-JTHBVZDNSA-N 0 0 483.657 4.530 20 0 JJADRN CCn1ncc(C(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)c1Br ZINC001361283816 1066641637 /nfs/dbraw/zinc/64/16/37/1066641637.db2.gz HFEKHRMTALFPJB-KRWDZBQOSA-N 0 0 456.384 4.914 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC001445987631 1066641693 /nfs/dbraw/zinc/64/16/93/1066641693.db2.gz PFPKOLXFCWZGHV-KRWDZBQOSA-N 0 0 454.571 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC001445982035 1066641755 /nfs/dbraw/zinc/64/17/55/1066641755.db2.gz MVBBWUIPBDAPHS-LJQANCHMSA-N 0 0 454.914 4.536 20 0 JJADRN C[C@H](CC(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(Br)c1 ZINC001456611739 1066643003 /nfs/dbraw/zinc/64/30/03/1066643003.db2.gz WXXKXYUSTHSALN-HUUCEWRRSA-N 0 0 457.384 4.845 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)NCCCOc1ccc2ccccc2c1 ZINC001445998042 1066643227 /nfs/dbraw/zinc/64/32/27/1066643227.db2.gz NUFAEOOMFGRBTE-UHFFFAOYSA-N 0 0 456.336 4.501 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 ZINC001456612874 1066643646 /nfs/dbraw/zinc/64/36/46/1066643646.db2.gz ZONDQJRRNOLVQA-MRXNPFEDSA-N 0 0 455.521 4.683 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CC2(CSc3ccccc3)CC2)ccc1F ZINC001456613550 1066643687 /nfs/dbraw/zinc/64/36/87/1066643687.db2.gz FDCJZDLKFXJHGA-UHFFFAOYSA-N 0 0 450.601 4.804 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)c(F)c1 ZINC001361285463 1066643873 /nfs/dbraw/zinc/64/38/73/1066643873.db2.gz ZNCZSCQBLZCHFC-LJQANCHMSA-N 0 0 483.636 4.752 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)c(O[C@@H]2CCOC2)c1 ZINC001361285486 1066644297 /nfs/dbraw/zinc/64/42/97/1066644297.db2.gz AKPCZSFDVNURCT-XZOQPEGZSA-N 0 0 470.658 4.785 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3C)CC2)s1 ZINC001361285937 1066644319 /nfs/dbraw/zinc/64/43/19/1066644319.db2.gz IUSGAWDXKCWEGO-UHFFFAOYSA-N 0 0 465.667 4.910 20 0 JJADRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446005893 1066645000 /nfs/dbraw/zinc/64/50/00/1066645000.db2.gz SETWGNNVPUIFJT-HXUWFJFHSA-N 0 0 454.567 4.820 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446006023 1066645034 /nfs/dbraw/zinc/64/50/34/1066645034.db2.gz VBHUVSAJDBYLFP-OAHLLOKOSA-N 0 0 451.792 4.651 20 0 JJADRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001361286236 1066645027 /nfs/dbraw/zinc/64/50/27/1066645027.db2.gz LFXHQDVKULNXNX-OAHLLOKOSA-N 0 0 450.324 4.996 20 0 JJADRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC001446011612 1066645144 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JAIBEBZVSLGAAN-OAQYLSRUSA-N 0 0 494.640 4.744 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC001446058464 1066652732 /nfs/dbraw/zinc/65/27/32/1066652732.db2.gz AEHAFXHQBGRBDH-CABCVRRESA-N 0 0 459.450 4.985 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001492600323 1066653193 /nfs/dbraw/zinc/65/31/93/1066653193.db2.gz KPUQWNOGQKSQTR-LJQANCHMSA-N 0 0 455.990 4.634 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O ZINC001492600400 1066653274 /nfs/dbraw/zinc/65/32/74/1066653274.db2.gz LZRDVWPCYVUERX-HKUYNNGSSA-N 0 0 481.666 4.609 20 0 JJADRN CCOc1cccc(CNC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1OC(F)F ZINC001446058564 1066653352 /nfs/dbraw/zinc/65/33/52/1066653352.db2.gz AYVNLGZEHKJHMS-INIZCTEOSA-N 0 0 458.546 4.975 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(Cc1ccccc1F)C1CCC1 ZINC001446060464 1066653372 /nfs/dbraw/zinc/65/33/72/1066653372.db2.gz LFKUWGYXPLJBFE-UHFFFAOYSA-N 0 0 456.514 4.961 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC001446060184 1066653392 /nfs/dbraw/zinc/65/33/92/1066653392.db2.gz DOGKEZARUUXCJZ-DLBZAZTESA-N 0 0 457.596 4.766 20 0 JJADRN Cc1cc(F)ccc1-n1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)nn1 ZINC001456636997 1066653496 /nfs/dbraw/zinc/65/34/96/1066653496.db2.gz GSHSTAHYYFVKQF-UHFFFAOYSA-N 0 0 451.502 4.507 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492600507 1066653736 /nfs/dbraw/zinc/65/37/36/1066653736.db2.gz NCNWSWGXXNVJOB-JOCHJYFZSA-N 0 0 485.673 4.947 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492600654 1066653743 /nfs/dbraw/zinc/65/37/43/1066653743.db2.gz PGLOSFJQBLVUMT-NRFANRHFSA-N 0 0 494.640 4.886 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492600644 1066653764 /nfs/dbraw/zinc/65/37/64/1066653764.db2.gz PAIUWDSHPDRRPW-AMGIVPHBSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001492600723 1066654486 /nfs/dbraw/zinc/65/44/86/1066654486.db2.gz QUEMKHBWCITCJS-UNMCSNQZSA-N 0 0 499.656 4.600 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc[nH]2)n1CCNc1ncc(Cl)cc1Cl ZINC001492600787 1066654510 /nfs/dbraw/zinc/65/45/10/1066654510.db2.gz SHSZQCNYDJKUJE-UHFFFAOYSA-N 0 0 486.407 4.911 20 0 JJADRN CCOc1cccc(CNC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c1OC(F)F ZINC001446068186 1066654626 /nfs/dbraw/zinc/65/46/26/1066654626.db2.gz NOWABLWCBHZGEW-UHFFFAOYSA-N 0 0 450.482 4.745 20 0 JJADRN O=C(c1ccc(NCCN2CCOCC2)c(Cl)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC001446068888 1066654744 /nfs/dbraw/zinc/65/47/44/1066654744.db2.gz LKHBNGYZQIIFBS-UHFFFAOYSA-N 0 0 457.977 4.543 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)ccc1OCCO ZINC001446068327 1066654792 /nfs/dbraw/zinc/65/47/92/1066654792.db2.gz KGDIGLWUKRYNJW-INIZCTEOSA-N 0 0 457.958 4.520 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C[C@H]1NC(=O)OC(C)(C)C 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CC(C)c1c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456648205 1066657984 /nfs/dbraw/zinc/65/79/84/1066657984.db2.gz TXPZUMILKLAWCM-FQEVSTJZSA-N 0 0 457.361 4.838 20 0 JJADRN Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001492602498 1066658330 /nfs/dbraw/zinc/65/83/30/1066658330.db2.gz SIZXQTFEYYYLTD-FQEVSTJZSA-N 0 0 496.681 4.768 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492602418 1066658443 /nfs/dbraw/zinc/65/84/43/1066658443.db2.gz OSBJZOHKZXDOSM-HSZRJFAPSA-N 0 0 499.656 4.648 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1Br ZINC001446093099 1066658770 /nfs/dbraw/zinc/65/87/70/1066658770.db2.gz GYSFHSLDSOHRKI-UHFFFAOYSA-N 0 0 456.163 4.927 20 0 JJADRN O=C(CSc1ccncc1)Nc1nc(-c2ccc(I)cc2)cs1 ZINC001446092936 1066658810 /nfs/dbraw/zinc/65/88/10/1066658810.db2.gz GEVKSFZKFLOIHK-UHFFFAOYSA-N 0 0 453.330 4.541 20 0 JJADRN CC(C)(C)c1[nH]ncc1C(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC001446091517 1066658829 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CGAZPGMCVGOWFU-LJQANCHMSA-N 0 0 457.423 4.908 20 0 JJADRN Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001446186534 1066670402 /nfs/dbraw/zinc/67/04/02/1066670402.db2.gz VRSVLGVXAJXQJE-UHFFFAOYSA-N 0 0 457.983 4.763 20 0 JJADRN CCCN(C(=O)c1nn(C2CCOCC2)cc1C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456705174 1066670821 /nfs/dbraw/zinc/67/08/21/1066670821.db2.gz WJBPSHJQUBEJGE-XMMPIXPASA-N 0 0 454.521 4.858 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC001446188401 1066671088 /nfs/dbraw/zinc/67/10/88/1066671088.db2.gz WXKLGIKCXYFZJE-BOCKYXSRSA-N 0 0 478.593 4.562 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001446190026 1066671743 /nfs/dbraw/zinc/67/17/43/1066671743.db2.gz ISZATCLLZSLRBQ-NQIIRXRSSA-N 0 0 458.331 4.727 20 0 JJADRN CC1=CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCOC2CCOCC2)C1 ZINC001492609881 1066671844 /nfs/dbraw/zinc/67/18/44/1066671844.db2.gz ZLKJTELVMUJLOQ-JOCHJYFZSA-N 0 0 454.615 4.777 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CSCCS2)C1 ZINC001492610161 1066671912 /nfs/dbraw/zinc/67/19/12/1066671912.db2.gz JMMNWOGZJMPEFN-OAHLLOKOSA-N 0 0 451.459 4.713 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001456710518 1066672269 /nfs/dbraw/zinc/67/22/69/1066672269.db2.gz VJJPADURWLILOC-OAHLLOKOSA-N 0 0 456.306 4.732 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2)C1 ZINC001492610820 1066672717 /nfs/dbraw/zinc/67/27/17/1066672717.db2.gz IPESKVLVQCNCDB-NRFANRHFSA-N 0 0 469.605 4.931 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1 ZINC001456713542 1066673043 /nfs/dbraw/zinc/67/30/43/1066673043.db2.gz ZWVBUUOCOJKWMS-CYNGKWMKSA-N 0 0 450.576 4.694 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CCN(C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192139 1066673328 /nfs/dbraw/zinc/67/33/28/1066673328.db2.gz FUPGPUHHODCFCV-VXKWHMMOSA-N 0 0 453.949 4.805 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)C(C)(C)C ZINC001446192577 1066673370 /nfs/dbraw/zinc/67/33/70/1066673370.db2.gz ZNXDAEZVLZPEQA-OAQYLSRUSA-N 0 0 453.583 4.885 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[C@@H]2CCCCO2)C1 ZINC001492611170 1066673425 /nfs/dbraw/zinc/67/34/25/1066673425.db2.gz TYBCTQNAFBQIFZ-VXKWHMMOSA-N 0 0 473.662 4.898 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)Nc3cc(Cl)ccc3OCCS(C)(=O)=O)ccc2c1 ZINC001456722775 1066673641 /nfs/dbraw/zinc/67/36/41/1066673641.db2.gz DOEVULOQAXWCEH-ONNFQVAWSA-N 0 0 459.951 4.577 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 ZINC001456719674 1066673804 /nfs/dbraw/zinc/67/38/04/1066673804.db2.gz NYFVHWBZZDFNGK-GOSISDBHSA-N 0 0 459.377 4.746 20 0 JJADRN CN1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446196248 1066674166 /nfs/dbraw/zinc/67/41/66/1066674166.db2.gz QHNYXUYJJAAEQK-GMAHTHKFSA-N 0 0 453.558 4.689 20 0 JJADRN CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 ZINC001492611499 1066674320 /nfs/dbraw/zinc/67/43/20/1066674320.db2.gz CZHOAXGAFIJLFR-HHHXNRCGSA-N 0 0 499.631 4.596 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)c2ccccc2)C1 ZINC001492611614 1066674325 /nfs/dbraw/zinc/67/43/25/1066674325.db2.gz GZQQIHODQKDNND-IRLDBZIGSA-N 0 0 467.614 4.547 20 0 JJADRN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCc1cc(Br)ccc1F ZINC001456724014 1066674431 /nfs/dbraw/zinc/67/44/31/1066674431.db2.gz SQYFXAANYXSNKL-UHFFFAOYSA-N 0 0 450.285 4.726 20 0 JJADRN CC(C)Cn1ncc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1-c1ccccc1 ZINC001456725273 1066674490 /nfs/dbraw/zinc/67/44/90/1066674490.db2.gz JTZQFCDPVFODME-UHFFFAOYSA-N 0 0 457.477 4.808 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccncc3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001492612733 1066674915 /nfs/dbraw/zinc/67/49/15/1066674915.db2.gz RMFPNNJGSAQQMY-JOCHJYFZSA-N 0 0 466.630 4.600 20 0 JJADRN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001456728637 1066675095 /nfs/dbraw/zinc/67/50/95/1066675095.db2.gz ORQZMIPRIHJETI-UONOGXRCSA-N 0 0 462.782 4.812 20 0 JJADRN CCOC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)COC(F)(F)F ZINC001456726641 1066675120 /nfs/dbraw/zinc/67/51/20/1066675120.db2.gz IAAHLBJNRMYOAE-UHFFFAOYSA-N 0 0 452.248 4.829 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC=C(C)C2)n1CCN(C)CC(F)(F)F ZINC001492613196 1066675661 /nfs/dbraw/zinc/67/56/61/1066675661.db2.gz KXWGFKDIDXNJIH-UHFFFAOYSA-N 0 0 485.982 4.902 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545982705 1066675787 /nfs/dbraw/zinc/67/57/87/1066675787.db2.gz PWFFCPGMRBOLAS-GHTZIAJQSA-N 0 0 487.620 4.893 20 0 JJADRN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC001446231431 1066675789 /nfs/dbraw/zinc/67/57/89/1066675789.db2.gz LNQLIIOGEHQNPU-UHFFFAOYSA-N 0 0 454.379 4.746 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)c1 ZINC001456730602 1066675862 /nfs/dbraw/zinc/67/58/62/1066675862.db2.gz ZFYIZEXUXJLZSP-UHFFFAOYSA-N 0 0 452.551 4.980 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ncc(CC)s2)c(Cl)cc1Cl ZINC001456730939 1066675876 /nfs/dbraw/zinc/67/58/76/1066675876.db2.gz MMKVRDYLAVKXSL-JTQLQIEISA-N 0 0 450.413 4.732 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001492613583 1066675962 /nfs/dbraw/zinc/67/59/62/1066675962.db2.gz ADYBSHMCIMOZIU-FQEVSTJZSA-N 0 0 471.577 4.552 20 0 JJADRN CN(CCN(C)C(=O)c1ccccc1SCc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC001446236980 1066676340 /nfs/dbraw/zinc/67/63/40/1066676340.db2.gz FBUIXVXBGMLEMZ-UHFFFAOYSA-N 0 0 454.596 4.566 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)CCCOc2ccc(C)c(C)c2)CC1 ZINC001456732780 1066676802 /nfs/dbraw/zinc/67/68/02/1066676802.db2.gz RTAADOYTTAVENU-UHFFFAOYSA-N 0 0 450.604 4.970 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001492613760 1066677048 /nfs/dbraw/zinc/67/70/48/1066677048.db2.gz HOVDECZZMNSQQW-REHUZNOOSA-N 0 0 478.559 4.803 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cc1 ZINC001456734877 1066677520 /nfs/dbraw/zinc/67/75/20/1066677520.db2.gz WRPBWTSCWOLJGM-UHFFFAOYSA-N 0 0 450.335 4.755 20 0 JJADRN Cn1c(C(=O)N2CCC(c3cccnc3)CC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001446241212 1066678207 /nfs/dbraw/zinc/67/82/07/1066678207.db2.gz ARVBHRBZRQPQDN-QFIPXVFZSA-N 0 0 452.599 4.902 20 0 JJADRN COc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc(OC)c1OC(F)F ZINC001456739507 1066678344 /nfs/dbraw/zinc/67/83/44/1066678344.db2.gz SLQRHQAGNLHMJS-UHFFFAOYSA-N 0 0 453.492 4.798 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC=C(C)CC2)n1 ZINC001492614152 1066678428 /nfs/dbraw/zinc/67/84/28/1066678428.db2.gz WABPVVXQWXQZSL-SFHVURJKSA-N 0 0 450.612 4.872 20 0 JJADRN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC001446244362 1066678665 /nfs/dbraw/zinc/67/86/65/1066678665.db2.gz VTMAZNATLWKCLD-PGRDOPGGSA-N 0 0 454.636 4.518 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)C(C)(C)c1ccccc1 ZINC001456743337 1066678802 /nfs/dbraw/zinc/67/88/02/1066678802.db2.gz FEYCWYHFHVQVQX-JXALWOEJSA-N 0 0 456.652 4.839 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001492614441 1066679008 /nfs/dbraw/zinc/67/90/08/1066679008.db2.gz FQWMMZCMHHPVML-INIZCTEOSA-N 0 0 491.493 4.635 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC=C(C)CC2)cnn1CC(C)C ZINC001492614379 1066679161 /nfs/dbraw/zinc/67/91/61/1066679161.db2.gz DGRFGESUDGHOME-FQEVSTJZSA-N 0 0 452.578 4.923 20 0 JJADRN C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456746389 1066679609 /nfs/dbraw/zinc/67/96/09/1066679609.db2.gz KKNVNYCRHRHSHE-MGPUTAFESA-N 0 0 459.409 4.683 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CC(=O)NCc1ccco1 ZINC001492614796 1066679675 /nfs/dbraw/zinc/67/96/75/1066679675.db2.gz PRUXNNFKJYFJTK-IBGZPJMESA-N 0 0 484.000 4.754 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492614732 1066679727 /nfs/dbraw/zinc/67/97/27/1066679727.db2.gz NXIKFGVFZTUGJD-KBMIEXCESA-N 0 0 454.546 4.831 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCCN1CCOCC1 ZINC001492615086 1066679731 /nfs/dbraw/zinc/67/97/31/1066679731.db2.gz ZEJHLPDMGHAKKY-NRFANRHFSA-N 0 0 474.049 4.567 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)Oc1cccc(F)c1 ZINC001545982778 1066680461 /nfs/dbraw/zinc/68/04/61/1066680461.db2.gz RANPVJDUODLQCV-GCJKJVERSA-N 0 0 471.621 4.529 20 0 JJADRN CC(C)(C)OC(=O)C1CCC(NC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001446253213 1066680500 /nfs/dbraw/zinc/68/05/00/1066680500.db2.gz DYQUPESYLLJMMQ-UBVWURDFSA-N 0 0 453.579 4.706 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545982941 1066681179 /nfs/dbraw/zinc/68/11/79/1066681179.db2.gz ULPSYCKMZBOGQG-CTNGQTDRSA-N 0 0 455.603 4.507 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)c2C2CC2)cc1Cl ZINC001456751311 1066681326 /nfs/dbraw/zinc/68/13/26/1066681326.db2.gz TYNLPPKOQLIIRS-FQEVSTJZSA-N 0 0 458.990 4.745 20 0 JJADRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446260691 1066681254 /nfs/dbraw/zinc/68/12/54/1066681254.db2.gz SUJKGYGHJHDABT-ULQDDVLXSA-N 0 0 458.521 4.730 20 0 JJADRN CC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001492615476 1066681224 /nfs/dbraw/zinc/68/12/24/1066681224.db2.gz OFAYDGZDNIGQLH-JOCHJYFZSA-N 0 0 450.505 4.542 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCCCCC2=O)CC1 ZINC001492615614 1066681548 /nfs/dbraw/zinc/68/15/48/1066681548.db2.gz SNNUFJPUBHJIEX-UHFFFAOYSA-N 0 0 478.460 4.718 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001492615509 1066681564 /nfs/dbraw/zinc/68/15/64/1066681564.db2.gz OZDXJDPQNJWFPC-UHFFFAOYSA-N 0 0 461.433 4.994 20 0 JJADRN COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001446269303 1066681695 /nfs/dbraw/zinc/68/16/95/1066681695.db2.gz QJOBAWVLKMDEIR-CQSZACIVSA-N 0 0 451.388 4.922 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOc2ccc(F)cc2)CC1 ZINC001492615545 1066681719 /nfs/dbraw/zinc/68/17/19/1066681719.db2.gz QGBMFEAJZLEFSV-UHFFFAOYSA-N 0 0 474.378 4.811 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001456757730 1066681805 /nfs/dbraw/zinc/68/18/05/1066681805.db2.gz AZXGNUIPLHHRHP-UHFFFAOYSA-N 0 0 456.296 4.806 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001456760594 1066681831 /nfs/dbraw/zinc/68/18/31/1066681831.db2.gz AEGPTSWQCLBKMD-QGZVFWFLSA-N 0 0 452.414 4.692 20 0 JJADRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001456759530 1066681859 /nfs/dbraw/zinc/68/18/59/1066681859.db2.gz JMNUTISPFDYZGR-UHFFFAOYSA-N 0 0 454.998 4.927 20 0 JJADRN CC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001492615655 1066682434 /nfs/dbraw/zinc/68/24/34/1066682434.db2.gz UPVSIKLSTMIVES-QFIPXVFZSA-N 0 0 468.495 4.681 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCOc2ccccc2Cl)CC1 ZINC001492615732 1066682488 /nfs/dbraw/zinc/68/24/88/1066682488.db2.gz XCPLLEYXSNDUKW-UHFFFAOYSA-N 0 0 476.806 4.935 20 0 JJADRN Cc1cccc(C(=O)NCCn2c(-c3ccc(Br)s3)nnc2N2CC=C(C)CC2)c1 ZINC001492615725 1066682527 /nfs/dbraw/zinc/68/25/27/1066682527.db2.gz WYXNEGNUAWUWTB-UHFFFAOYSA-N 0 0 486.439 4.664 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1c(CC)nc2ccc(Cl)cn21 ZINC001456763404 1066682646 /nfs/dbraw/zinc/68/26/46/1066682646.db2.gz UGNZRLQTZDRSPZ-UHFFFAOYSA-N 0 0 450.720 4.742 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(C)CC1 ZINC001492615996 1066683152 /nfs/dbraw/zinc/68/31/52/1066683152.db2.gz HASGJKBSQUNBQZ-UHFFFAOYSA-N 0 0 459.367 4.667 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001492615831 1066683182 /nfs/dbraw/zinc/68/31/82/1066683182.db2.gz ZXYYGNRNURPHKS-ICSRJNTNSA-N 0 0 482.572 4.874 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc(Br)cn2)CC1 ZINC001492616414 1066683915 /nfs/dbraw/zinc/68/39/15/1066683915.db2.gz XPWRSPJZAIEVFW-UHFFFAOYSA-N 0 0 465.758 4.553 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001492617385 1066684537 /nfs/dbraw/zinc/68/45/37/1066684537.db2.gz FELQFLMOEBEFKZ-RTWAWAEBSA-N 0 0 473.662 4.754 20 0 JJADRN CN(C(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001456769292 1066684678 /nfs/dbraw/zinc/68/46/78/1066684678.db2.gz MVVNGQXSRRXZPC-INIZCTEOSA-N 0 0 451.316 4.817 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC001446279030 1066684562 /nfs/dbraw/zinc/68/45/62/1066684562.db2.gz ZEAFRAYFEXZIOO-UHFFFAOYSA-N 0 0 458.562 4.921 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(NC(=O)OC)cc1Cl ZINC001456770913 1066685355 /nfs/dbraw/zinc/68/53/55/1066685355.db2.gz ZESHJXDFOCICHQ-UHFFFAOYSA-N 0 0 455.692 4.710 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC(c2cccs2)c2cccs2)CC1 ZINC001456770950 1066685453 /nfs/dbraw/zinc/68/54/53/1066685453.db2.gz ZTMONGLTGPWZRW-UHFFFAOYSA-N 0 0 453.633 4.979 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(C)CC2)s1 ZINC001492618156 1066685975 /nfs/dbraw/zinc/68/59/75/1066685975.db2.gz YROQGSOFJXTUFY-UHFFFAOYSA-N 0 0 472.659 4.671 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492618172 1066686005 /nfs/dbraw/zinc/68/60/05/1066686005.db2.gz ZFVWLFWDVRPZOL-JIPXPUAJSA-N 0 0 499.656 4.667 20 0 JJADRN C[C@@H](O)CNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl ZINC001446287729 1066686056 /nfs/dbraw/zinc/68/60/56/1066686056.db2.gz GJANHGTYMQZHQF-OAHLLOKOSA-N 0 0 450.922 4.812 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2cccc(C)c2Br)c(Br)cc1F ZINC001456771530 1066686326 /nfs/dbraw/zinc/68/63/26/1066686326.db2.gz FBSNOAOCMNGYIJ-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=C(C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001492619281 1066686504 /nfs/dbraw/zinc/68/65/04/1066686504.db2.gz OZZAMFDGJZZEBT-JGCGQSQUSA-N 0 0 477.074 4.709 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=C(C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001492619282 1066686561 /nfs/dbraw/zinc/68/65/61/1066686561.db2.gz OZZAMFDGJZZEBT-YTTGMZPUSA-N 0 0 477.074 4.709 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446295481 1066686803 /nfs/dbraw/zinc/68/68/03/1066686803.db2.gz VZHCDYCAFQDONE-QFIPXVFZSA-N 0 0 457.018 4.576 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1sc(Cl)nc1C(F)(F)F ZINC001456773119 1066687056 /nfs/dbraw/zinc/68/70/56/1066687056.db2.gz DDHSJCRFBLTORP-UHFFFAOYSA-N 0 0 454.179 4.691 20 0 JJADRN Cc1csc(CCCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)n1 ZINC001492619999 1066687344 /nfs/dbraw/zinc/68/73/44/1066687344.db2.gz RDCZTURFAAYTHH-BGYRXZFFSA-N 0 0 486.686 4.993 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001492619787 1066688197 /nfs/dbraw/zinc/68/81/97/1066688197.db2.gz JQYSWCCCXRDXDY-SANMLTNESA-N 0 0 450.583 4.812 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001446298821 1066688403 /nfs/dbraw/zinc/68/84/03/1066688403.db2.gz JUEQCYWCAREGEU-QKKBWIMNSA-N 0 0 457.384 4.673 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545984044 1066688416 /nfs/dbraw/zinc/68/84/16/1066688416.db2.gz CDJHCTQFQCWMQB-LEWJYISDSA-N 0 0 473.593 4.566 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001492619975 1066688665 /nfs/dbraw/zinc/68/86/65/1066688665.db2.gz QDPXYWIKSJRIMK-SJORKVTESA-N 0 0 451.398 4.993 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)CCC(=O)c2ccc(Cl)cc2)c1C ZINC001446306842 1066688987 /nfs/dbraw/zinc/68/89/87/1066688987.db2.gz DBZSUHBIDREYGV-OAQYLSRUSA-N 0 0 456.970 4.566 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1C ZINC001446310354 1066689637 /nfs/dbraw/zinc/68/96/37/1066689637.db2.gz OVEKVOSCDCKCAO-ZEQRLZLVSA-N 0 0 450.579 4.539 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001456786001 1066689866 /nfs/dbraw/zinc/68/98/66/1066689866.db2.gz JLORUPWVFRGPKQ-UHFFFAOYSA-N 0 0 457.481 4.611 20 0 JJADRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001456784314 1066690005 /nfs/dbraw/zinc/69/00/05/1066690005.db2.gz NZCVWORBAYLOIM-UHFFFAOYSA-N 0 0 453.438 4.521 20 0 JJADRN CCCCCC[C@@H](CC)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001456785640 1066690046 /nfs/dbraw/zinc/69/00/46/1066690046.db2.gz RNKZFSWACIPDOV-XXBNENTESA-N 0 0 453.465 4.797 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001456787556 1066690758 /nfs/dbraw/zinc/69/07/58/1066690758.db2.gz OBPOHWUJPKZLER-UHFFFAOYSA-N 0 0 453.996 4.599 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(OC)C2CC2)CCO1 ZINC001546084940 1066690851 /nfs/dbraw/zinc/69/08/51/1066690851.db2.gz ASPHLHIOAXLGDO-WOJBJXKFSA-N 0 0 469.449 4.590 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CC(F)(F)Br)C2)c1 ZINC001492621010 1066691437 /nfs/dbraw/zinc/69/14/37/1066691437.db2.gz QIRMLYZUGVSQBK-MRXNPFEDSA-N 0 0 485.764 4.933 20 0 JJADRN Cc1ccnn1CC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001456792408 1066691577 /nfs/dbraw/zinc/69/15/77/1066691577.db2.gz VJUGVUCCOSEWHC-LJQANCHMSA-N 0 0 450.739 4.847 20 0 JJADRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CCOc1cccc(Br)c1 ZINC001446330707 1066691931 /nfs/dbraw/zinc/69/19/31/1066691931.db2.gz JJPDRJJYSKKKLF-ZDUSSCGKSA-N 0 0 453.174 4.954 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C ZINC001446332352 1066691961 /nfs/dbraw/zinc/69/19/61/1066691961.db2.gz GCFNMKXHIFEIAC-YESZJQIVSA-N 0 0 456.978 4.795 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492621573 1066692104 /nfs/dbraw/zinc/69/21/04/1066692104.db2.gz BMSUCBTVWGSLKH-QGZVFWFLSA-N 0 0 480.510 4.931 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(C)c(OC)c2)CCO1 ZINC001546084998 1066692203 /nfs/dbraw/zinc/69/22/03/1066692203.db2.gz CFQOEWRKWNVHRH-QHCPKHFHSA-N 0 0 488.430 4.601 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(F)c(F)c3F)CC2)c1 ZINC001492621606 1066692868 /nfs/dbraw/zinc/69/28/68/1066692868.db2.gz CPAZYHLSBXKLGW-UHFFFAOYSA-N 0 0 460.548 4.657 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCCC(C)(C)C)CC2)c1 ZINC001492621856 1066692949 /nfs/dbraw/zinc/69/29/49/1066692949.db2.gz IBTVVGOSMQFNAQ-UHFFFAOYSA-N 0 0 498.697 4.596 20 0 JJADRN O=C(NCCc1ccsc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC001446334006 1066692894 /nfs/dbraw/zinc/69/28/94/1066692894.db2.gz OFOMAOBVNYZMCE-UHFFFAOYSA-N 0 0 455.388 4.828 20 0 JJADRN CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)n[nH]1)c1csc(-c2cccs2)n1 ZINC001456796543 1066692889 /nfs/dbraw/zinc/69/28/89/1066692889.db2.gz HSQQWNKGFOSMDZ-UHFFFAOYSA-N 0 0 452.561 4.868 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ccc([C@H](C)O)c(C)n2)c1 ZINC001446336256 1066693072 /nfs/dbraw/zinc/69/30/72/1066693072.db2.gz PQODGZSLZSCODT-IBGZPJMESA-N 0 0 456.546 4.543 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001456800233 1066693580 /nfs/dbraw/zinc/69/35/80/1066693580.db2.gz BOOLCOUWARNNRN-NRFANRHFSA-N 0 0 456.329 4.850 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001456800658 1066693629 /nfs/dbraw/zinc/69/36/29/1066693629.db2.gz KEOMPAOZUDJKGL-LSTHTHJFSA-N 0 0 461.389 4.544 20 0 JJADRN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446338977 1066693597 /nfs/dbraw/zinc/69/35/97/1066693597.db2.gz NOLNAPRWOVFDOY-UUOWRZLLSA-N 0 0 452.913 4.800 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCSCc3ccccc3F)CC2)c1 ZINC001492622635 1066694144 /nfs/dbraw/zinc/69/41/44/1066694144.db2.gz PQCKEKXMAYIWDU-UHFFFAOYSA-N 0 0 470.662 4.971 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1F ZINC001545984708 1066694380 /nfs/dbraw/zinc/69/43/80/1066694380.db2.gz NXVKYYHJYSEWAO-KRWDZBQOSA-N 0 0 460.985 4.956 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[C@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492622833 1066694664 /nfs/dbraw/zinc/69/46/64/1066694664.db2.gz STYXHDSGRZWCDZ-IRLDBZIGSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CCOc4ccccc4)n3CCSCC(F)(F)F)C2)c1 ZINC001492622914 1066694773 /nfs/dbraw/zinc/69/47/73/1066694773.db2.gz UWJSVRYAACYWCA-IBGZPJMESA-N 0 0 494.587 4.542 20 0 JJADRN COc1nsc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)c1Br ZINC001456804395 1066695237 /nfs/dbraw/zinc/69/52/37/1066695237.db2.gz LQXXDZAFXYHYFZ-UHFFFAOYSA-N 0 0 454.733 4.685 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccccc3OCC(C)C)C2)c1 ZINC001492623189 1066695391 /nfs/dbraw/zinc/69/53/91/1066695391.db2.gz YXAZQFIUYOGZSH-QHCPKHFHSA-N 0 0 450.631 4.906 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)C)n3CCc3ccccc3OC(F)F)C2)c1 ZINC001492623181 1066695419 /nfs/dbraw/zinc/69/54/19/1066695419.db2.gz YKWBMIKPOXXWNH-FQEVSTJZSA-N 0 0 458.557 4.667 20 0 JJADRN COc1ccccc1OC[C@H](C)CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001446355412 1066695582 /nfs/dbraw/zinc/69/55/82/1066695582.db2.gz BFZKRIOKABJJBX-OAHLLOKOSA-N 0 0 456.564 4.589 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001545984952 1066696486 /nfs/dbraw/zinc/69/64/86/1066696486.db2.gz SQOWNJXRPKMAAS-NFBKMPQASA-N 0 0 485.648 4.921 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSC(C)(C)C2)c1 ZINC001492624616 1066697415 /nfs/dbraw/zinc/69/74/15/1066697415.db2.gz YAHKMCHCCXXXLB-UHFFFAOYSA-N 0 0 475.460 4.553 20 0 JJADRN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)[C@H]1CSC(c2ccccc2O)=N1 ZINC001446378456 1066697678 /nfs/dbraw/zinc/69/76/78/1066697678.db2.gz LOEJGSQSFXZKFV-JOCHJYFZSA-N 0 0 452.526 4.503 20 0 JJADRN Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001492626689 1066698106 /nfs/dbraw/zinc/69/81/06/1066698106.db2.gz RHVVSHLXJAFNBB-QHCPKHFHSA-N 0 0 471.049 4.675 20 0 JJADRN COc1cc2c(cc1CNC(=O)CSc1nccn1-c1cccc(Cl)c1C)O[C@H](C)C2 ZINC001446378842 1066698519 /nfs/dbraw/zinc/69/85/19/1066698519.db2.gz MGCSSNQLNXTMOC-CQSZACIVSA-N 0 0 457.983 4.575 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001456812848 1066698584 /nfs/dbraw/zinc/69/85/84/1066698584.db2.gz PHAQRSSZUZCSIR-IBGZPJMESA-N 0 0 458.942 4.672 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2c(F)cccc2Cl)c1 ZINC001492627256 1066698673 /nfs/dbraw/zinc/69/86/73/1066698673.db2.gz RYJUIKLYGIGKFX-UHFFFAOYSA-N 0 0 460.344 4.628 20 0 JJADRN Cc1cnn(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)c1 ZINC001492627484 1066698754 /nfs/dbraw/zinc/69/87/54/1066698754.db2.gz AFTJRPHTKZCJDP-UHFFFAOYSA-N 0 0 463.076 4.761 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cnc(C2CCCC2)nc1N)C(F)(F)F ZINC001446381496 1066699047 /nfs/dbraw/zinc/69/90/47/1066699047.db2.gz JFNOTXOJSUWPLL-IBGZPJMESA-N 0 0 458.488 4.552 20 0 JJADRN CCn1c(=O)[nH]c2ccc(C(=O)N[C@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)cc21 ZINC001446380008 1066699066 /nfs/dbraw/zinc/69/90/66/1066699066.db2.gz DTYHSZFFEHERSU-HXUWFJFHSA-N 0 0 457.456 4.598 20 0 JJADRN Cc1cnn(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)c2ccccc2F)c1 ZINC001492628080 1066699135 /nfs/dbraw/zinc/69/91/35/1066699135.db2.gz VIXJIERVSZXHAI-SLFFLAALSA-N 0 0 497.619 4.590 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC001456815109 1066699307 /nfs/dbraw/zinc/69/93/07/1066699307.db2.gz SEOHYBJSMIXJQM-MRXNPFEDSA-N 0 0 453.764 4.829 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC001492628739 1066700303 /nfs/dbraw/zinc/70/03/03/1066700303.db2.gz LTYXSMZRCQPNQS-SFGWALBWSA-N 0 0 472.584 4.877 20 0 JJADRN Cn1c(=O)cc(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c2ccccc21 ZINC001456819221 1066700663 /nfs/dbraw/zinc/70/06/63/1066700663.db2.gz JWZACOWXSREQOM-UHFFFAOYSA-N 0 0 453.380 4.933 20 0 JJADRN CCCCOCCN(C(=O)[C@H]1CC(=O)N(C)c2ccccc21)c1ccc(Br)cc1 ZINC001456817366 1066700707 /nfs/dbraw/zinc/70/07/07/1066700707.db2.gz GKNHDXYACFHOHC-FQEVSTJZSA-N 0 0 459.384 4.749 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(COc3ccc(Cl)cc3)nnc1N(C)CCOC(C)(C)C)CCC2 ZINC001492628851 1066700801 /nfs/dbraw/zinc/70/08/01/1066700801.db2.gz ODZIWPHEUBUOEE-IBGZPJMESA-N 0 0 487.048 4.844 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546085097 1066701168 /nfs/dbraw/zinc/70/11/68/1066701168.db2.gz DXGXVZJFPAUUDQ-CXAGYDPISA-N 0 0 497.381 4.742 20 0 JJADRN CCCO[C@@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1C ZINC001456819767 1066701197 /nfs/dbraw/zinc/70/11/97/1066701197.db2.gz LYPCNWGNJUGSLQ-LADGPHEKSA-N 0 0 454.542 4.557 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001456819819 1066701208 /nfs/dbraw/zinc/70/12/08/1066701208.db2.gz LZVIZQRAFPTTSE-ICSRJNTNSA-N 0 0 450.432 4.671 20 0 JJADRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)c1ccccc1Br ZINC001446394098 1066701570 /nfs/dbraw/zinc/70/15/70/1066701570.db2.gz OFWCANYFNSEUNW-NRFANRHFSA-N 0 0 459.428 4.996 20 0 JJADRN O=C(NC1CCC(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1)C1CC1 ZINC001456827078 1066701703 /nfs/dbraw/zinc/70/17/03/1066701703.db2.gz WXXDUSMTCWVKRA-UHFFFAOYSA-N 0 0 458.356 4.660 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546085100 1066701773 /nfs/dbraw/zinc/70/17/73/1066701773.db2.gz DXGXVZJFPAUUDQ-SUMWQHHRSA-N 0 0 497.381 4.742 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cc2)cc1 ZINC001456827219 1066701785 /nfs/dbraw/zinc/70/17/85/1066701785.db2.gz HTFQFZQIDRKLRE-UHFFFAOYSA-N 0 0 453.564 4.831 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 ZINC001492629868 1066701993 /nfs/dbraw/zinc/70/19/93/1066701993.db2.gz JGXXIYGSRWNQKX-XUSGNXJCSA-N 0 0 479.437 4.522 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001446402944 1066702471 /nfs/dbraw/zinc/70/24/71/1066702471.db2.gz YZPOXTVISGYCDO-UHFFFAOYSA-N 0 0 456.917 4.872 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001545985622 1066702541 /nfs/dbraw/zinc/70/25/41/1066702541.db2.gz ICXGPTPKYQCORZ-HXUWFJFHSA-N 0 0 453.848 4.985 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)c2ccc(OC)cc2)n1 ZINC001456833799 1066702842 /nfs/dbraw/zinc/70/28/42/1066702842.db2.gz JWQWVXCVGNPFHO-VQTJNVASSA-N 0 0 452.532 4.805 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cc(Cl)cc(Br)c2F)o1 ZINC001456830866 1066702947 /nfs/dbraw/zinc/70/29/47/1066702947.db2.gz OZTYZEAEVUIPNP-MRXNPFEDSA-N 0 0 450.695 4.873 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492630004 1066702973 /nfs/dbraw/zinc/70/29/73/1066702973.db2.gz LSYYGGXFCUZWGF-HGHGUNKESA-N 0 0 473.618 4.987 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC001456835699 1066703391 /nfs/dbraw/zinc/70/33/91/1066703391.db2.gz WBBLFOHOFPCXQU-QYZOEREBSA-N 0 0 455.640 4.610 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)CCc3ccccc3NC(=O)OC(C)(C)C)cc21 ZINC001456835211 1066703532 /nfs/dbraw/zinc/70/35/32/1066703532.db2.gz ATKMIJUGWQFTKY-UHFFFAOYSA-N 0 0 452.555 4.697 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492630199 1066703552 /nfs/dbraw/zinc/70/35/52/1066703552.db2.gz PPWSJLTVNAQGQN-HNNXBMFYSA-N 0 0 482.013 4.637 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492630108 1066703561 /nfs/dbraw/zinc/70/35/61/1066703561.db2.gz OBLZZAIKSHJAPE-KGLIPLIRSA-N 0 0 462.417 4.501 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc3ccccc3)c1)CCC2 ZINC001446423681 1066703642 /nfs/dbraw/zinc/70/36/42/1066703642.db2.gz PBJWDCGPAVTMNS-DQEYMECFSA-N 0 0 459.546 4.781 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC001492630293 1066704028 /nfs/dbraw/zinc/70/40/28/1066704028.db2.gz RIXLLAUGDZSEMY-DOTOQJQBSA-N 0 0 488.061 4.874 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC001456839177 1066704098 /nfs/dbraw/zinc/70/40/98/1066704098.db2.gz UHOLHSYDGPPWBD-IBGZPJMESA-N 0 0 455.480 4.782 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncnn2CC(F)F)s1 ZINC001492630442 1066704667 /nfs/dbraw/zinc/70/46/67/1066704667.db2.gz ULQRGOZMVXBJFK-ZDUSSCGKSA-N 0 0 492.987 4.660 20 0 JJADRN Cc1ccc(C)c(C2CCN(C(=O)C3=NO[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)CC2)c1 ZINC001456849214 1066705206 /nfs/dbraw/zinc/70/52/06/1066705206.db2.gz VASRQPRVISMAAW-AREMUKBSSA-N 0 0 455.599 4.555 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)n3)c2)cc1 ZINC001446431503 1066705201 /nfs/dbraw/zinc/70/52/01/1066705201.db2.gz YRDBOAIWTDUCOI-UHFFFAOYSA-N 0 0 459.955 4.804 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC001456843909 1066705218 /nfs/dbraw/zinc/70/52/18/1066705218.db2.gz PPBUXWVKVBUIFO-NRFANRHFSA-N 0 0 456.546 4.583 20 0 JJADRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001456843411 1066705228 /nfs/dbraw/zinc/70/52/28/1066705228.db2.gz NOGCIIBVUYYMAU-QHCPKHFHSA-N 0 0 451.950 4.752 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC001456851709 1066705656 /nfs/dbraw/zinc/70/56/56/1066705656.db2.gz SODXZEIGLNDYDV-AZOSJMHDSA-N 0 0 455.380 4.714 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1Cl ZINC001456851756 1066705783 /nfs/dbraw/zinc/70/57/83/1066705783.db2.gz HIEHJSVTQLDNAJ-FYSMJZIKSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cnn1-c1cc(C)ccc1C ZINC001446437217 1066705781 /nfs/dbraw/zinc/70/57/81/1066705781.db2.gz ZNNDVHOWTVDAIK-UHFFFAOYSA-N 0 0 451.324 4.654 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)c1ccccc1Cl ZINC001456852925 1066706182 /nfs/dbraw/zinc/70/61/82/1066706182.db2.gz ITOSEYJBGIWKQT-FDDCHVKYSA-N 0 0 458.002 4.632 20 0 JJADRN CN(C)c1cccc(COC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 ZINC001456853034 1066706271 /nfs/dbraw/zinc/70/62/71/1066706271.db2.gz KCDUXISMVTXGLT-UHFFFAOYSA-N 0 0 454.368 4.937 20 0 JJADRN COc1cc(CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc(OC)c1OC ZINC001446454249 1066706378 /nfs/dbraw/zinc/70/63/78/1066706378.db2.gz ADSHSVQZSMTCBK-UHFFFAOYSA-N 0 0 450.516 4.876 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492630930 1066706772 /nfs/dbraw/zinc/70/67/72/1066706772.db2.gz CGAAQSHGBJPQMQ-LQWHRVPQSA-N 0 0 469.655 4.904 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492631256 1066707298 /nfs/dbraw/zinc/70/72/98/1066707298.db2.gz IDGBNDARRGBTPD-WFASDCNBSA-N 0 0 482.473 4.811 20 0 JJADRN CC(=O)NC1CCC(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)CC1 ZINC001456859464 1066707271 /nfs/dbraw/zinc/70/72/71/1066707271.db2.gz IPFWFZUGTCSCKW-HTIOENIKSA-N 0 0 457.412 4.718 20 0 JJADRN Cc1cc(C)cc(C2CCN(C(=O)c3c[nH]nc3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001456858333 1066707308 /nfs/dbraw/zinc/70/73/08/1066707308.db2.gz PFJTUHQKCIMABN-HXUWFJFHSA-N 0 0 452.599 4.771 20 0 JJADRN C[C@@H](C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cccc(Br)c1 ZINC001456860496 1066707819 /nfs/dbraw/zinc/70/78/19/1066707819.db2.gz DYVGLPNYBQXTKB-WPUWVODUSA-N 0 0 456.302 4.694 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631391 1066707860 /nfs/dbraw/zinc/70/78/60/1066707860.db2.gz JWPHMAUQVRLAAB-HKUYNNGSSA-N 0 0 476.691 4.786 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001492631401 1066707893 /nfs/dbraw/zinc/70/78/93/1066707893.db2.gz KFOIFYOVBLUYIC-CYBMUJFWSA-N 0 0 459.982 4.676 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001492631298 1066707907 /nfs/dbraw/zinc/70/79/07/1066707907.db2.gz ITBSCJHANNACFY-LSDHHAIUSA-N 0 0 461.582 4.719 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC001456859796 1066707827 /nfs/dbraw/zinc/70/78/27/1066707827.db2.gz FUBOQUHPDDCUCC-GDBMZVCRSA-N 0 0 454.411 4.930 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC001456859830 1066707931 /nfs/dbraw/zinc/70/79/31/1066707931.db2.gz FUBOQUHPDDCUCC-ZBFHGGJFSA-N 0 0 454.411 4.930 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1F ZINC001456860794 1066707942 /nfs/dbraw/zinc/70/79/42/1066707942.db2.gz VNCGZECCRPAMQI-MRXNPFEDSA-N 0 0 459.539 4.936 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545986428 1066707925 /nfs/dbraw/zinc/70/79/25/1066707925.db2.gz FQKXXWRJPGNHCF-MALNDZBISA-N 0 0 499.656 4.789 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001456861024 1066708411 /nfs/dbraw/zinc/70/84/11/1066708411.db2.gz KAGZDDDIRRANOB-ZDUSSCGKSA-N 0 0 452.433 4.749 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631454 1066708334 /nfs/dbraw/zinc/70/83/34/1066708334.db2.gz KXLGYBIWEGJFSH-WMZOPIPTSA-N 0 0 474.675 4.855 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2c(C)cccc2C1)NC(=O)OC(C)(C)C ZINC001545986563 1066708408 /nfs/dbraw/zinc/70/84/08/1066708408.db2.gz HPHBGBKEFRIBCV-UNMCSNQZSA-N 0 0 469.630 4.694 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2c(C)cccc2C1)NC(=O)OC(C)(C)C ZINC001545986562 1066708459 /nfs/dbraw/zinc/70/84/59/1066708459.db2.gz HPHBGBKEFRIBCV-RBBKRZOGSA-N 0 0 469.630 4.694 20 0 JJADRN COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)O1 ZINC001456862676 1066708913 /nfs/dbraw/zinc/70/89/13/1066708913.db2.gz NBYUIVCSHBRPHY-YZUZCNPQSA-N 0 0 474.395 4.524 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC=C(Br)C2)s1 ZINC001492631956 1066709431 /nfs/dbraw/zinc/70/94/31/1066709431.db2.gz UVAMYMPAMQBNCJ-XJKSGUPXSA-N 0 0 452.422 4.577 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC001492632017 1066709452 /nfs/dbraw/zinc/70/94/52/1066709452.db2.gz VUJXLXRVAHZEGG-CYBMUJFWSA-N 0 0 469.581 4.824 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2Br)s1 ZINC001492631918 1066709491 /nfs/dbraw/zinc/70/94/91/1066709491.db2.gz UGRDZBPCPZEZDQ-CQSZACIVSA-N 0 0 484.427 4.703 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC001446487316 1066709573 /nfs/dbraw/zinc/70/95/73/1066709573.db2.gz BAPLDCQKDLJUIH-QPPBQGQZSA-N 0 0 450.554 4.785 20 0 JJADRN CN(C)c1cccc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)c1 ZINC001456866355 1066709684 /nfs/dbraw/zinc/70/96/84/1066709684.db2.gz MHORLRRKYWNMNE-UHFFFAOYSA-N 0 0 458.381 4.524 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCc1ccccc1Br)[C@@H](O)Cc1ccccc1 ZINC001446488734 1066710235 /nfs/dbraw/zinc/71/02/35/1066710235.db2.gz CDZNEAKMGNTEML-JTSKRJEESA-N 0 0 454.364 4.750 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCc2c(C)noc2C)CCO1 ZINC001546085321 1066710162 /nfs/dbraw/zinc/71/01/62/1066710162.db2.gz JHEODAPSWGWMEP-JOCHJYFZSA-N 0 0 474.403 4.560 20 0 JJADRN Cc1cnc(C2CCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(=O)NC(C)C)CC2)s1 ZINC001492632415 1066710323 /nfs/dbraw/zinc/71/03/23/1066710323.db2.gz DSVCCPHQQHSWCA-FQEVSTJZSA-N 0 0 496.681 4.708 20 0 JJADRN Cc1ccc(-n2c3ccc(Br)cc3nc2NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1 ZINC001456870785 1066711125 /nfs/dbraw/zinc/71/11/25/1066711125.db2.gz YBTVVAVVOFSMND-YJBOKZPZSA-N 0 0 458.356 4.619 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@@H]1C)OC ZINC001545986983 1066711235 /nfs/dbraw/zinc/71/12/35/1066711235.db2.gz NENWJTWAQQSPBP-SESVDKBCSA-N 0 0 469.630 4.899 20 0 JJADRN O=C(COc1ccccc1C(=O)N1CC2(C1)CC(F)(F)C2)Nc1cccc(C(F)(F)F)c1 ZINC001446501134 1066711354 /nfs/dbraw/zinc/71/13/54/1066711354.db2.gz MFUMHKFAZZQBMF-UHFFFAOYSA-N 0 0 454.395 4.594 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)C1 ZINC001446504254 1066711543 /nfs/dbraw/zinc/71/15/43/1066711543.db2.gz DVVFFOLYAOFWGF-SFHVURJKSA-N 0 0 452.986 4.580 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492632478 1066711509 /nfs/dbraw/zinc/71/15/09/1066711509.db2.gz FVJCXAVAQXCQDL-YJBOKZPZSA-N 0 0 488.683 4.602 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 ZINC001456873962 1066711526 /nfs/dbraw/zinc/71/15/26/1066711526.db2.gz MBKZFIZSHIYYAX-LJQANCHMSA-N 0 0 459.550 4.909 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)c2N1 ZINC001456873313 1066711732 /nfs/dbraw/zinc/71/17/32/1066711732.db2.gz QBTXEKZJUILUFH-CXAGYDPISA-N 0 0 463.529 4.906 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC001446505948 1066711730 /nfs/dbraw/zinc/71/17/30/1066711730.db2.gz PLJVVFIUSBGCCS-OAHLLOKOSA-N 0 0 451.926 4.501 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)C1 ZINC001446504247 1066711803 /nfs/dbraw/zinc/71/18/03/1066711803.db2.gz DVVFFOLYAOFWGF-GOSISDBHSA-N 0 0 452.986 4.580 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)COc1ncccc1Br ZINC001446508694 1066712132 /nfs/dbraw/zinc/71/21/32/1066712132.db2.gz GKTRKISVTXAVGK-CYBMUJFWSA-N 0 0 453.764 4.680 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001456876803 1066712311 /nfs/dbraw/zinc/71/23/11/1066712311.db2.gz KRTHUCPJLYAFHP-YJYMSZOUSA-N 0 0 455.769 4.835 20 0 JJADRN C[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Oc1cccc(Cl)c1 ZINC001456876386 1066712332 /nfs/dbraw/zinc/71/23/32/1066712332.db2.gz ZNHKHMXTJTVFFD-HNNXBMFYSA-N 0 0 456.391 4.664 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC001492632930 1066712407 /nfs/dbraw/zinc/71/24/07/1066712407.db2.gz QJVQHGKGBKHZGP-JFIYKMOQSA-N 0 0 472.684 4.853 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492632976 1066712605 /nfs/dbraw/zinc/71/26/05/1066712605.db2.gz RLOFYPHSIFRSRT-JXFKEZNVSA-N 0 0 473.618 4.816 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC001446514070 1066712743 /nfs/dbraw/zinc/71/27/43/1066712743.db2.gz HMGYTIJLNFRRFI-UHFFFAOYSA-N 0 0 454.372 4.558 20 0 JJADRN CCC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCO1 ZINC001456878880 1066712802 /nfs/dbraw/zinc/71/28/02/1066712802.db2.gz GQAWVPFNABMFSL-RHSKZQIJSA-N 0 0 458.599 4.601 20 0 JJADRN C[C@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)[C@@H](c2ccco2)C1 ZINC001456877635 1066712883 /nfs/dbraw/zinc/71/28/83/1066712883.db2.gz DEVOCSRXTGVFHY-MAUKXSAKSA-N 0 0 454.386 4.596 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001446512074 1066712917 /nfs/dbraw/zinc/71/29/17/1066712917.db2.gz WNSSXEBZQMADFG-UHFFFAOYSA-N 0 0 456.534 4.818 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)Cc2cscn2)s1 ZINC001492633086 1066712932 /nfs/dbraw/zinc/71/29/32/1066712932.db2.gz UKVMUDJKCVIOMR-CQSZACIVSA-N 0 0 458.588 4.658 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492633108 1066712985 /nfs/dbraw/zinc/71/29/85/1066712985.db2.gz UWCFHXAICIVMPS-IEBWSBKVSA-N 0 0 466.655 4.634 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)Cc2cscn2)s1 ZINC001492633085 1066713066 /nfs/dbraw/zinc/71/30/66/1066713066.db2.gz UKVMUDJKCVIOMR-AWEZNQCLSA-N 0 0 458.588 4.658 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492633128 1066713079 /nfs/dbraw/zinc/71/30/79/1066713079.db2.gz VEPXRVDCOQLTCX-AWEZNQCLSA-N 0 0 450.534 4.611 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633393 1066713903 /nfs/dbraw/zinc/71/39/03/1066713903.db2.gz ZIRGWBXKILWPQN-ICDONNSOSA-N 0 0 487.592 4.522 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633394 1066714073 /nfs/dbraw/zinc/71/40/73/1066714073.db2.gz ZIRGWBXKILWPQN-QJLMEOIESA-N 0 0 487.592 4.522 20 0 JJADRN CC(C)[C@@H]1CCc2nc(NC(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)sc2C1 ZINC001456887822 1066714315 /nfs/dbraw/zinc/71/43/15/1066714315.db2.gz NHINCVJFFZQIFR-CYBMUJFWSA-N 0 0 450.630 4.680 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCCc1ccccn1 ZINC001492633828 1066714355 /nfs/dbraw/zinc/71/43/55/1066714355.db2.gz QBCSYOXRXRPODR-UHFFFAOYSA-N 0 0 493.011 4.584 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633446 1066714375 /nfs/dbraw/zinc/71/43/75/1066714375.db2.gz ZUNRFRUBQNPJHX-NXMSCROESA-N 0 0 461.676 4.760 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccccc4F)n3CC[S@@](=O)C(C)(C)C)CC2)s1 ZINC001492633781 1066714404 /nfs/dbraw/zinc/71/44/04/1066714404.db2.gz ORZULWIVUGHOMU-JGCGQSQUSA-N 0 0 475.659 4.780 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)CC1 ZINC001492633775 1066714424 /nfs/dbraw/zinc/71/44/24/1066714424.db2.gz ONBKQHBUNRYYDN-INIZCTEOSA-N 0 0 455.990 4.746 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446520615 1066714680 /nfs/dbraw/zinc/71/46/80/1066714680.db2.gz PXCRPEARXMHYDJ-JTSKRJEESA-N 0 0 458.965 4.801 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCCCN3C(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001456889958 1066714647 /nfs/dbraw/zinc/71/46/47/1066714647.db2.gz UXJXUFVOURUQNZ-HXUWFJFHSA-N 0 0 452.599 4.579 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccncc2Cl)CCO1 ZINC001546085456 1066714807 /nfs/dbraw/zinc/71/48/07/1066714807.db2.gz LPXAZQRSAMJWBW-QFIPXVFZSA-N 0 0 463.916 4.649 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)c1nccs1)OC ZINC001545987148 1066714854 /nfs/dbraw/zinc/71/48/54/1066714854.db2.gz PLROLSHZMIMFFC-CEXWTWQISA-N 0 0 492.690 4.514 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520135 1066714866 /nfs/dbraw/zinc/71/48/66/1066714866.db2.gz YPHCGKDCPPXFSV-MZNJEOGPSA-N 0 0 452.002 4.806 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)C)n3Cc3nnc(C(C)(C)C)s3)CC2)s1 ZINC001492633610 1066714818 /nfs/dbraw/zinc/71/48/18/1066714818.db2.gz IJUWYKYLCSMZBM-UHFFFAOYSA-N 0 0 459.689 4.823 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccc(Br)s4)n3CC(C)(C)O)CC2)s1 ZINC001492633661 1066714932 /nfs/dbraw/zinc/71/49/32/1066714932.db2.gz KJMRSFLNPLUZBQ-UHFFFAOYSA-N 0 0 482.473 4.689 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633673 1066715002 /nfs/dbraw/zinc/71/50/02/1066715002.db2.gz KTMKCUWOEBGVQW-MRXNPFEDSA-N 0 0 485.658 4.678 20 0 JJADRN C[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456890580 1066715233 /nfs/dbraw/zinc/71/52/33/1066715233.db2.gz QWRTUEYCSSPCLD-FBIATWESSA-N 0 0 450.579 4.885 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC001456891655 1066715253 /nfs/dbraw/zinc/71/52/53/1066715253.db2.gz GADLAFWHTDXXPY-UHFFFAOYSA-N 0 0 457.578 4.536 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001456890318 1066715418 /nfs/dbraw/zinc/71/54/18/1066715418.db2.gz DKOAEOUZTTWPJJ-NRFANRHFSA-N 0 0 453.583 4.747 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546085474 1066715451 /nfs/dbraw/zinc/71/54/51/1066715451.db2.gz LUOQTUAODRQLPY-QNLPTKCRSA-N 0 0 478.728 4.828 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@](C)(O)C(C)C)CC2)s1 ZINC001492633889 1066715473 /nfs/dbraw/zinc/71/54/73/1066715473.db2.gz SQLGEGOOXCMZRP-XMMPIXPASA-N 0 0 457.619 4.564 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4cccnc4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633681 1066715495 /nfs/dbraw/zinc/71/54/95/1066715495.db2.gz KZJZMOMXSHMUGH-KRWDZBQOSA-N 0 0 497.669 4.744 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@](C)(O)C(C)C)CC2)s1 ZINC001492633888 1066715622 /nfs/dbraw/zinc/71/56/22/1066715622.db2.gz SQLGEGOOXCMZRP-DEOSSOPVSA-N 0 0 457.619 4.564 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001456893599 1066715799 /nfs/dbraw/zinc/71/57/99/1066715799.db2.gz IUYIFIIYFQKWGM-UHFFFAOYSA-N 0 0 458.002 4.720 20 0 JJADRN O=C(c1ccc(OC(F)F)cc1F)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456892701 1066715871 /nfs/dbraw/zinc/71/58/71/1066715871.db2.gz BOUZSBCRIXTAPB-UHFFFAOYSA-N 0 0 450.638 4.878 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2cc(Br)c(C)cc2Br)c1 ZINC001456896877 1066716305 /nfs/dbraw/zinc/71/63/05/1066716305.db2.gz PAUKICRDHIBCGC-GFCCVEGCSA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]c(CNC(=O)C2(c3ccc(Br)cc3)CC2)cs1 ZINC001456896716 1066716347 /nfs/dbraw/zinc/71/63/47/1066716347.db2.gz FLMGYUBBISYCDV-UHFFFAOYSA-N 0 0 452.374 4.601 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-c3cccc(F)c3)s2)ccc1Cl ZINC001456895868 1066716381 /nfs/dbraw/zinc/71/63/81/1066716381.db2.gz MIGITOQKTWMIIY-UHFFFAOYSA-N 0 0 454.932 4.642 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc3C2)s1)C1CC1 ZINC001456897359 1066716427 /nfs/dbraw/zinc/71/64/27/1066716427.db2.gz HCSRQPCZKRXZSB-UHFFFAOYSA-N 0 0 455.761 4.547 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001446531299 1066716512 /nfs/dbraw/zinc/71/65/12/1066716512.db2.gz FJRALOWBHJGPSG-VWLOTQADSA-N 0 0 455.476 4.991 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOCc1ccccc1 ZINC001492634307 1066716475 /nfs/dbraw/zinc/71/64/75/1066716475.db2.gz JUIDRHYYFUMIHT-UHFFFAOYSA-N 0 0 451.958 4.905 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492634322 1066716545 /nfs/dbraw/zinc/71/65/45/1066716545.db2.gz KCVUUKYYGCKNPI-MRXNPFEDSA-N 0 0 472.952 4.839 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001492634162 1066716688 /nfs/dbraw/zinc/71/66/88/1066716688.db2.gz DGEGHNCFMOIONV-SFHVURJKSA-N 0 0 495.521 4.890 20 0 JJADRN CN(C)[C@@H](C(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(Cl)cc1 ZINC001456898545 1066716944 /nfs/dbraw/zinc/71/69/44/1066716944.db2.gz WTHQAHAWUULRCQ-QGZVFWFLSA-N 0 0 458.183 4.780 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1C ZINC001456897107 1066716973 /nfs/dbraw/zinc/71/69/73/1066716973.db2.gz YDOAIUYRDPBDBR-UHFFFAOYSA-N 0 0 454.958 4.912 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001492634489 1066717242 /nfs/dbraw/zinc/71/72/42/1066717242.db2.gz PIMFULQWLRSWJJ-VQTJNVASSA-N 0 0 497.615 4.946 20 0 JJADRN O=C(c1c[nH]c(Br)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446533452 1066717192 /nfs/dbraw/zinc/71/71/92/1066717192.db2.gz ZVDUDPCCJYGRPL-OAQYLSRUSA-N 0 0 458.787 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@@H](c3ccncc3)C3CC3)s2)CC1 ZINC001456901097 1066717319 /nfs/dbraw/zinc/71/73/19/1066717319.db2.gz SJDKYJZMFVXREX-OAQYLSRUSA-N 0 0 456.612 4.609 20 0 JJADRN O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1cccc(CNc2ccncn2)c1 ZINC001456900124 1066717405 /nfs/dbraw/zinc/71/74/05/1066717405.db2.gz FSCAYIPQVZTEDO-UHFFFAOYSA-N 0 0 459.453 4.892 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001492634830 1066717675 /nfs/dbraw/zinc/71/76/75/1066717675.db2.gz YQIITXSXAWDRLA-FQEVSTJZSA-N 0 0 489.414 4.596 20 0 JJADRN COCc1cncc(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)c1 ZINC001456906184 1066717833 /nfs/dbraw/zinc/71/78/33/1066717833.db2.gz PYVMUGOKUYTKDV-UHFFFAOYSA-N 0 0 451.324 4.641 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001492635250 1066718158 /nfs/dbraw/zinc/71/81/58/1066718158.db2.gz LVHNXHQGRAXJKQ-IMFGXOCKSA-N 0 0 457.619 4.885 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]c(CNC(=O)C(C)(C)c2ccccc2Br)cs1 ZINC001456908726 1066718457 /nfs/dbraw/zinc/71/84/57/1066718457.db2.gz YFTNKADJYUNTEN-UHFFFAOYSA-N 0 0 454.390 4.847 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1C ZINC001492635757 1066718880 /nfs/dbraw/zinc/71/88/80/1066718880.db2.gz ZXYJXEFUPICILG-FUHWJXTLSA-N 0 0 457.619 4.885 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001446541767 1066718937 /nfs/dbraw/zinc/71/89/37/1066718937.db2.gz JUFOCYZSYHAFLB-FQEVSTJZSA-N 0 0 457.640 4.988 20 0 JJADRN CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001456910646 1066719018 /nfs/dbraw/zinc/71/90/18/1066719018.db2.gz HOBFNQDYYZYANE-QFIPXVFZSA-N 0 0 453.558 4.973 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001492636003 1066719297 /nfs/dbraw/zinc/71/92/97/1066719297.db2.gz HZKKSQFVUPWNQU-LIRRHRJNSA-N 0 0 468.907 4.936 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492635893 1066719348 /nfs/dbraw/zinc/71/93/48/1066719348.db2.gz DDDSHDYNULVGGH-HXUWFJFHSA-N 0 0 489.414 4.883 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001446550839 1066719567 /nfs/dbraw/zinc/71/95/67/1066719567.db2.gz FCUNRFTXHAWSGK-TZYHBYERSA-N 0 0 458.599 4.781 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2nccs2)n1 ZINC001492636183 1066719920 /nfs/dbraw/zinc/71/99/20/1066719920.db2.gz AKXDCPIONOHFMP-NSHDSACASA-N 0 0 478.445 4.697 20 0 JJADRN CC[C@@H](NC(=O)c1cc(I)ccc1F)c1nc(C(F)(F)F)cs1 ZINC001456914516 1066720090 /nfs/dbraw/zinc/72/00/90/1066720090.db2.gz KJMQFXIPCPFMCP-SNVBAGLBSA-N 0 0 458.218 4.787 20 0 JJADRN O=C(Nc1nc2c(cc(F)cc2Br)s1)c1cnc2cc(F)c(F)cc2c1O ZINC001456911914 1066720161 /nfs/dbraw/zinc/72/01/61/1066720161.db2.gz AFPADVSHQUISHG-UHFFFAOYSA-N 0 0 454.227 4.570 20 0 JJADRN C[C@@](CO)(NC(=O)c1cc(CCc2ccccc2)ccc1O)c1cccc(Br)c1 ZINC001456913169 1066720234 /nfs/dbraw/zinc/72/02/34/1066720234.db2.gz ISDBOOHFOFMVQW-DEOSSOPVSA-N 0 0 454.364 4.577 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC001492636366 1066720613 /nfs/dbraw/zinc/72/06/13/1066720613.db2.gz BTQZBVDWSZXTEI-WDSOQIARSA-N 0 0 474.675 4.806 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccccc1F ZINC001545987370 1066720689 /nfs/dbraw/zinc/72/06/89/1066720689.db2.gz SFDVAAHBCCZZEF-XLIONFOSSA-N 0 0 459.591 4.652 20 0 JJADRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001456915521 1066720677 /nfs/dbraw/zinc/72/06/77/1066720677.db2.gz QBLVZIDGTDEFRH-UHFFFAOYSA-N 0 0 451.388 4.808 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCOC[C@H]2C)n1 ZINC001492636399 1066721053 /nfs/dbraw/zinc/72/10/53/1066721053.db2.gz CICFFRGNSUEITQ-GOEBONIOSA-N 0 0 476.444 4.810 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492636406 1066721062 /nfs/dbraw/zinc/72/10/62/1066721062.db2.gz CJNGNBYYQSAESK-BNOWGMLFSA-N 0 0 482.473 4.951 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Br)cc12)NCc1cccc(COCC(F)(F)F)c1 ZINC001446565789 1066721175 /nfs/dbraw/zinc/72/11/75/1066721175.db2.gz JSGDAEVCDFXLRV-UHFFFAOYSA-N 0 0 455.274 4.868 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)O[C@H](C)C2)n1 ZINC001492636408 1066721129 /nfs/dbraw/zinc/72/11/29/1066721129.db2.gz CJNGNBYYQSAESK-MRVWCRGKSA-N 0 0 482.473 4.951 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001446564709 1066721193 /nfs/dbraw/zinc/72/11/93/1066721193.db2.gz HEERLTBZTHCNIH-CYBMUJFWSA-N 0 0 453.555 4.643 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492636714 1066721655 /nfs/dbraw/zinc/72/16/55/1066721655.db2.gz FPJGFZGOSUYIRZ-RDJZCZTQSA-N 0 0 494.587 4.513 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)n1 ZINC001492636899 1066722170 /nfs/dbraw/zinc/72/21/70/1066722170.db2.gz HJBBDZTWRKHJTL-UKRRQHHQSA-N 0 0 493.464 4.912 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001446570914 1066722295 /nfs/dbraw/zinc/72/22/95/1066722295.db2.gz SVNNRJYNMKBIOR-INIZCTEOSA-N 0 0 454.596 4.746 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492636923 1066722556 /nfs/dbraw/zinc/72/25/56/1066722556.db2.gz HUFTUAOIUWKJLJ-HIFRSBDPSA-N 0 0 493.475 4.618 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCN(c2nc3ccccc3s2)CC1 ZINC001446583259 1066723362 /nfs/dbraw/zinc/72/33/62/1066723362.db2.gz YRTUNDIAJJNGRA-UHFFFAOYSA-N 0 0 450.789 4.604 20 0 JJADRN O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccc1Nc1ccccc1 ZINC001446585534 1066723410 /nfs/dbraw/zinc/72/34/10/1066723410.db2.gz KMXZHXBYHQRNHK-UHFFFAOYSA-N 0 0 459.365 4.746 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)n1 ZINC001492637486 1066723506 /nfs/dbraw/zinc/72/35/06/1066723506.db2.gz SAYWTPINNGJREL-SFHVURJKSA-N 0 0 489.089 4.825 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C)C2)n1 ZINC001492637561 1066724038 /nfs/dbraw/zinc/72/40/38/1066724038.db2.gz USGAFUALXMQXMW-JSGCOSHPSA-N 0 0 480.407 4.640 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2)cc1 ZINC001456926776 1066724055 /nfs/dbraw/zinc/72/40/55/1066724055.db2.gz UEJSYCJSULAPPA-UHFFFAOYSA-N 0 0 459.527 4.982 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCSC[C@@H]2C)n1 ZINC001492637626 1066724065 /nfs/dbraw/zinc/72/40/65/1066724065.db2.gz VXQXQTUJKOXTAJ-AEFFLSMTSA-N 0 0 470.668 4.658 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C)C2)n1 ZINC001492637560 1066724120 /nfs/dbraw/zinc/72/41/20/1066724120.db2.gz USGAFUALXMQXMW-GXTWGEPZSA-N 0 0 480.407 4.640 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C)C2)n1 ZINC001492637563 1066724131 /nfs/dbraw/zinc/72/41/31/1066724131.db2.gz USGAFUALXMQXMW-TZMCWYRMSA-N 0 0 480.407 4.640 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456932253 1066724933 /nfs/dbraw/zinc/72/49/33/1066724933.db2.gz LHXBYAUMXDVWQK-QUCCMNQESA-N 0 0 452.473 4.509 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492637885 1066725086 /nfs/dbraw/zinc/72/50/86/1066725086.db2.gz APSGTSNCOMZHGF-OIISXLGYSA-N 0 0 461.632 4.895 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NOCc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC001446593134 1066725165 /nfs/dbraw/zinc/72/51/65/1066725165.db2.gz RUUIAMUXJDTQBD-IBGZPJMESA-N 0 0 452.473 4.779 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC001492638162 1066725477 /nfs/dbraw/zinc/72/54/77/1066725477.db2.gz CLJRZHFHSZEAKA-UYAOXDASSA-N 0 0 480.682 4.925 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCc2cccs2)n1 ZINC001492638124 1066725657 /nfs/dbraw/zinc/72/56/57/1066725657.db2.gz CYPTVXURCYVKKB-OAHLLOKOSA-N 0 0 486.692 4.579 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOC[C@H]2C)n1 ZINC001492638224 1066726001 /nfs/dbraw/zinc/72/60/01/1066726001.db2.gz DARHHNWKRQTEHK-DZGCQCFKSA-N 0 0 462.417 4.501 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001446626911 1066726466 /nfs/dbraw/zinc/72/64/66/1066726466.db2.gz DSBCIVYOYHRLDT-SFHVURJKSA-N 0 0 457.537 4.684 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492638475 1066726468 /nfs/dbraw/zinc/72/64/68/1066726468.db2.gz GHQWJVZSXBVZQK-YOEHRIQHSA-N 0 0 463.554 4.588 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC001545987810 1066726487 /nfs/dbraw/zinc/72/64/87/1066726487.db2.gz XEDAXEFTVHJNFC-XTKMRXRUSA-N 0 0 453.631 4.597 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cc(Br)ccc1F ZINC001456939708 1066726519 /nfs/dbraw/zinc/72/65/19/1066726519.db2.gz ZKNDZPYKSYOLEH-KDOFPFPSSA-N 0 0 457.384 4.815 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cc(Br)ccc1F ZINC001456939716 1066726534 /nfs/dbraw/zinc/72/65/34/1066726534.db2.gz ZKNDZPYKSYOLEH-KSSFIOAISA-N 0 0 457.384 4.815 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1c(F)cc(Br)cc1F ZINC001456940728 1066726949 /nfs/dbraw/zinc/72/69/49/1066726949.db2.gz BYGUWYSKJOMJOT-UHFFFAOYSA-N 0 0 458.309 4.679 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(I)c(F)c1 ZINC001456945978 1066727605 /nfs/dbraw/zinc/72/76/05/1066727605.db2.gz WOEMNLTTZMZKJJ-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)n1 ZINC001492638753 1066727505 /nfs/dbraw/zinc/72/75/05/1066727505.db2.gz IXOMDXHSZBOHIC-CTNGQTDRSA-N 0 0 469.655 4.954 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)n1 ZINC001492638754 1066727587 /nfs/dbraw/zinc/72/75/87/1066727587.db2.gz IXOMDXHSZBOHIC-FPOVZHCZSA-N 0 0 469.655 4.954 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492639246 1066728099 /nfs/dbraw/zinc/72/80/99/1066728099.db2.gz MTRGZVQEVVOSLC-SJLPKXTDSA-N 0 0 474.675 4.807 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001446643584 1066728373 /nfs/dbraw/zinc/72/83/73/1066728373.db2.gz QMSBWKPRTPISCM-GLEZIHRCSA-N 0 0 455.210 4.810 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@H](C)C2)n1 ZINC001492639292 1066728621 /nfs/dbraw/zinc/72/86/21/1066728621.db2.gz ORCQYBKJQUVBRX-IEBWSBKVSA-N 0 0 457.669 4.984 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001456950920 1066728731 /nfs/dbraw/zinc/72/87/31/1066728731.db2.gz KAXWJTRTBPQZML-LJQANCHMSA-N 0 0 458.549 4.885 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@@H](C)C2)n1 ZINC001492639294 1066728694 /nfs/dbraw/zinc/72/86/94/1066728694.db2.gz ORCQYBKJQUVBRX-MJGOQNOKSA-N 0 0 457.669 4.984 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)nn1-c1ccc(Br)cc1 ZINC001456950926 1066728802 /nfs/dbraw/zinc/72/88/02/1066728802.db2.gz KICBUZPMYZWVNV-INIZCTEOSA-N 0 0 450.340 4.620 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492639540 1066729105 /nfs/dbraw/zinc/72/91/05/1066729105.db2.gz PKKCGMHRFSYRMF-VFVRVIDISA-N 0 0 494.434 4.622 20 0 JJADRN COc1cc(/C=C/C(=O)NC[C@@H](C)Oc2ccccc2C)ccc1OCc1c(C)noc1C ZINC001456956482 1066729258 /nfs/dbraw/zinc/72/92/58/1066729258.db2.gz FMBJUIDLBDXWLE-IYPOZPNPSA-N 0 0 450.535 4.784 20 0 JJADRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC001446654423 1066729199 /nfs/dbraw/zinc/72/91/99/1066729199.db2.gz WCMRJWNTKKEUDN-QHCPKHFHSA-N 0 0 455.558 4.961 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@H]21 ZINC001446651628 1066729373 /nfs/dbraw/zinc/72/93/73/1066729373.db2.gz GIMXVOAZBDYAMP-NWANDNLSSA-N 0 0 450.992 4.557 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(Br)c2)n1 ZINC001492639930 1066729682 /nfs/dbraw/zinc/72/96/82/1066729682.db2.gz SCSLDSYROWZCRF-AWEZNQCLSA-N 0 0 484.427 4.703 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492639838 1066729689 /nfs/dbraw/zinc/72/96/89/1066729689.db2.gz UARMXQDGXXYMTE-CQSZACIVSA-N 0 0 460.673 4.596 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC001456957572 1066729732 /nfs/dbraw/zinc/72/97/32/1066729732.db2.gz GGYWRDFXXWWDHR-UHFFFAOYSA-N 0 0 454.464 4.848 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NCC3(NC(=O)OC(C)(C)C)CCC3)c12 ZINC001446658209 1066729805 /nfs/dbraw/zinc/72/98/05/1066729805.db2.gz KHEYOSGJDNTAOL-UHFFFAOYSA-N 0 0 454.527 4.613 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccco2)n1 ZINC001492640280 1066730604 /nfs/dbraw/zinc/73/06/04/1066730604.db2.gz YNYZTEMEOCNJTE-GOEBONIOSA-N 0 0 470.624 4.629 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001492640221 1066730676 /nfs/dbraw/zinc/73/06/76/1066730676.db2.gz XKECSIFFSJAHJV-XLIONFOSSA-N 0 0 454.644 4.616 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cnc1Br)c1nc(C2CCCCC2)no1 ZINC001456963635 1066730682 /nfs/dbraw/zinc/73/06/82/1066730682.db2.gz QTOWNSHNCWOAJK-VIFPVBQESA-N 0 0 458.154 4.528 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492640274 1066730765 /nfs/dbraw/zinc/73/07/65/1066730765.db2.gz YLMSANNPSAIUGQ-NQIIRXRSSA-N 0 0 469.655 4.720 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2Br)on1 ZINC001456964586 1066730806 /nfs/dbraw/zinc/73/08/06/1066730806.db2.gz SVGLCNPMLXYGSF-FQEVSTJZSA-N 0 0 457.324 4.538 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2Br)on1 ZINC001456964590 1066731151 /nfs/dbraw/zinc/73/11/51/1066731151.db2.gz SVGLCNPMLXYGSF-HXUWFJFHSA-N 0 0 457.324 4.538 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCC(NC(=O)c4ccc(C)s4)CC3)nnc2C(C)(C)C)n1 ZINC001492640474 1066731663 /nfs/dbraw/zinc/73/16/63/1066731663.db2.gz ZVSBJEPOJSSGOO-OAHLLOKOSA-N 0 0 486.711 4.913 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)c1ccc(I)cc1)c1nc(C2CCCCC2)no1 ZINC001456965692 1066731772 /nfs/dbraw/zinc/73/17/72/1066731772.db2.gz XGYYZBUTYCWFSJ-QWHCGFSZSA-N 0 0 453.324 4.703 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Br)o2)n1 ZINC001492640566 1066731697 /nfs/dbraw/zinc/73/16/97/1066731697.db2.gz YOKVAAGKOXMKEX-ZDUSSCGKSA-N 0 0 473.400 4.901 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001456967308 1066731864 /nfs/dbraw/zinc/73/18/64/1066731864.db2.gz DRNPRHCNMRARKM-HOYKHHGWSA-N 0 0 450.023 4.771 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N[C@@H](CO)c1cccc(Br)c1)ccc2Br ZINC001446706022 1066732501 /nfs/dbraw/zinc/73/25/01/1066732501.db2.gz ZLODDOKZLNOLAM-INIZCTEOSA-N 0 0 453.130 4.730 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)COCc3ccccc3)CCO2)n1 ZINC001492640827 1066732738 /nfs/dbraw/zinc/73/27/38/1066732738.db2.gz DZISZVYXPJBYFT-RXVVDRJESA-N 0 0 469.655 4.771 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccc(Cl)cc4)n3CCCOC(C)C)CCO2)n1 ZINC001492640887 1066732808 /nfs/dbraw/zinc/73/28/08/1066732808.db2.gz GNJFHDMLAIBCKA-FQEVSTJZSA-N 0 0 476.046 4.680 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C(=O)N1c1ccccc1 ZINC001456971790 1066732825 /nfs/dbraw/zinc/73/28/25/1066732825.db2.gz GTRMYMYRKNKOTF-AVIJNYRZSA-N 0 0 452.913 4.909 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC001456969858 1066732939 /nfs/dbraw/zinc/73/29/39/1066732939.db2.gz DRCOIVVHYCSOSX-DFBJGRDBSA-N 0 0 455.555 4.844 20 0 JJADRN O=C(N[C@H](CO)c1c(F)cccc1F)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001446706371 1066733047 /nfs/dbraw/zinc/73/30/47/1066733047.db2.gz KRKUHZLJXFDXKN-OAQYLSRUSA-N 0 0 453.876 4.934 20 0 JJADRN CC(C)(C)[C@@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001446711371 1066733104 /nfs/dbraw/zinc/73/31/04/1066733104.db2.gz KAJKUWGEHXBLGY-MRXNPFEDSA-N 0 0 459.384 4.975 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)CCO2)n1 ZINC001492640902 1066733353 /nfs/dbraw/zinc/73/33/53/1066733353.db2.gz GWDKBCMHUWYZID-SFHVURJKSA-N 0 0 481.544 4.766 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC001456973083 1066733446 /nfs/dbraw/zinc/73/34/46/1066733446.db2.gz CWCCRSZNYYTTMX-XMSQKQJNSA-N 0 0 458.624 4.938 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c1 ZINC001446715394 1066733663 /nfs/dbraw/zinc/73/36/63/1066733663.db2.gz UCILVCNCPZTURP-VQTJNVASSA-N 0 0 472.950 4.597 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492641213 1066733806 /nfs/dbraw/zinc/73/38/06/1066733806.db2.gz CZYZNMJPJPSBCS-FQRUVTKNSA-N 0 0 496.681 4.703 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC3CCC(C(F)(F)F)CC3)C2)n1 ZINC001492641135 1066733880 /nfs/dbraw/zinc/73/38/80/1066733880.db2.gz CERKIGMKJGEQTJ-ADKAHSJRSA-N 0 0 498.619 4.934 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCSCC(C)C)CCO2)n1 ZINC001492641174 1066733936 /nfs/dbraw/zinc/73/39/36/1066733936.db2.gz KAJHGWQLXAVGDL-IBGZPJMESA-N 0 0 461.657 4.969 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C(=O)N1c1ccccc1 ZINC001456977223 1066733929 /nfs/dbraw/zinc/73/39/29/1066733929.db2.gz PICGOGZKQSOAGT-AUUYWEPGSA-N 0 0 453.951 4.578 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCSCc2ccnc(Cl)c2)cc1 ZINC001446743804 1066735272 /nfs/dbraw/zinc/73/52/72/1066735272.db2.gz AEYATOUCZVJBOJ-HNNXBMFYSA-N 0 0 450.004 4.984 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001456981865 1066735457 /nfs/dbraw/zinc/73/54/57/1066735457.db2.gz MBDLURCJRAOBAY-SFHVURJKSA-N 0 0 458.986 4.616 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492641849 1066735401 /nfs/dbraw/zinc/73/54/01/1066735401.db2.gz KDWSZIDCGQMBMK-ZWKOTPCHSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)CCO2)n1 ZINC001492642048 1066735487 /nfs/dbraw/zinc/73/54/87/1066735487.db2.gz QYILVBGXMLZSCM-GOSISDBHSA-N 0 0 481.544 4.734 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H](COc3ccccc3)C2)cnn1-c1cc(F)c(OC)cc1F ZINC001446754693 1066735786 /nfs/dbraw/zinc/73/57/86/1066735786.db2.gz OBDLOVYLCAZKPG-KRWDZBQOSA-N 0 0 455.505 4.653 20 0 JJADRN CCCc1c(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)cnn1-c1cccc(F)c1 ZINC001446754558 1066735960 /nfs/dbraw/zinc/73/59/60/1066735960.db2.gz MPLHIDCECQWHSN-UHFFFAOYSA-N 0 0 458.291 4.561 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)c(F)c3F)CCO2)n1 ZINC001492642184 1066735916 /nfs/dbraw/zinc/73/59/16/1066735916.db2.gz SNGIXQDVYAQTEU-KRWDZBQOSA-N 0 0 479.572 4.870 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)OCc3nc(C)cs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456983994 1066736063 /nfs/dbraw/zinc/73/60/63/1066736063.db2.gz MPMGDLVWMMWXNI-URXFXBBRSA-N 0 0 450.560 4.996 20 0 JJADRN Cc1cc(OCC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)ccc1Br ZINC001456986257 1066736112 /nfs/dbraw/zinc/73/61/12/1066736112.db2.gz QKZPAHDBEZPWQI-INIZCTEOSA-N 0 0 451.792 4.695 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CC(C)(C)C(F)(F)F)CCO2)n1 ZINC001492642431 1066736374 /nfs/dbraw/zinc/73/63/74/1066736374.db2.gz VTUXFVDZEXEMOP-HNNXBMFYSA-N 0 0 455.506 4.778 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCCOCC(F)F)C2)n1 ZINC001492642470 1066736466 /nfs/dbraw/zinc/73/64/66/1066736466.db2.gz PUWYMRXOWGHRSX-FQEVSTJZSA-N 0 0 475.609 4.998 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456987536 1066736488 /nfs/dbraw/zinc/73/64/88/1066736488.db2.gz DMVMKGUHEJLFJP-HJYNVTMCSA-N 0 0 461.566 4.727 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cn4nc(C)cc4C)n3CCSCC(F)(F)F)C2)n1 ZINC001492642862 1066736703 /nfs/dbraw/zinc/73/67/03/1066736703.db2.gz UBDXPQCHEDABCW-QGZVFWFLSA-N 0 0 499.632 4.584 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)CC1 ZINC001456989153 1066736843 /nfs/dbraw/zinc/73/68/43/1066736843.db2.gz VBYDGVFTJBFRMQ-KRWDZBQOSA-N 0 0 455.002 4.960 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)C2)cc1 ZINC001446778503 1066737892 /nfs/dbraw/zinc/73/78/92/1066737892.db2.gz GNIHSJMBHKKJKY-NRFANRHFSA-N 0 0 459.512 4.882 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545989458 1066737918 /nfs/dbraw/zinc/73/79/18/1066737918.db2.gz GLPARGJRHQTRQC-KJXAQDMKSA-N 0 0 474.621 4.953 20 0 JJADRN CSc1ncc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1-c1ccc(F)cc1 ZINC001456994343 1066738096 /nfs/dbraw/zinc/73/80/96/1066738096.db2.gz XAIHDCJEYSPFRB-MRXNPFEDSA-N 0 0 458.990 4.906 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCOCC(F)(F)C(F)F)CCO2 ZINC001456993501 1066738128 /nfs/dbraw/zinc/73/81/28/1066738128.db2.gz UJCRYPADPCXDLQ-LJQANCHMSA-N 0 0 455.448 4.855 20 0 JJADRN Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)nc1-c1ccc2c(c1)CCC2 ZINC001456996147 1066738144 /nfs/dbraw/zinc/73/81/44/1066738144.db2.gz UWWCWDXQBJWWII-INIZCTEOSA-N 0 0 453.486 4.709 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)nnc1-c1cccc(C)c1 ZINC001446784999 1066738431 /nfs/dbraw/zinc/73/84/31/1066738431.db2.gz BIROATYCIYIFPJ-XMSQKQJNSA-N 0 0 450.608 4.984 20 0 JJADRN Cc1sc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)nc1-c1ccc2c(c1)CCC2 ZINC001456996153 1066738459 /nfs/dbraw/zinc/73/84/59/1066738459.db2.gz UWWCWDXQBJWWII-MRXNPFEDSA-N 0 0 453.486 4.709 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCC=CCCC2)cc1OC ZINC001456997239 1066738655 /nfs/dbraw/zinc/73/86/55/1066738655.db2.gz YYKXZGYVZLDPMG-LJQANCHMSA-N 0 0 452.551 4.588 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492643187 1066738734 /nfs/dbraw/zinc/73/87/34/1066738734.db2.gz BAHFXVVVNBVIEM-OAQYLSRUSA-N 0 0 475.609 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)C1 ZINC001457001012 1066739200 /nfs/dbraw/zinc/73/92/00/1066739200.db2.gz NNEDZZPAULTJBL-OAQYLSRUSA-N 0 0 453.461 4.682 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC001446790293 1066740066 /nfs/dbraw/zinc/74/00/66/1066740066.db2.gz ORKPOVMCHKHIKK-CYFREDJKSA-N 0 0 458.624 4.729 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC001446789917 1066740134 /nfs/dbraw/zinc/74/01/34/1066740134.db2.gz GWUYEZLSONNTMJ-VQTJNVASSA-N 0 0 458.599 4.799 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001457007712 1066740086 /nfs/dbraw/zinc/74/00/86/1066740086.db2.gz IWDZNPBWIJAALV-HSQYWUDLSA-N 0 0 453.583 4.818 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)CCO2)n1 ZINC001492643958 1066740723 /nfs/dbraw/zinc/74/07/23/1066740723.db2.gz DZKDWMPTISAHRL-FQEVSTJZSA-N 0 0 457.669 4.548 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)o1 ZINC001457010796 1066741170 /nfs/dbraw/zinc/74/11/70/1066741170.db2.gz MODGGGCEVSCVDU-NHYWBVRUSA-N 0 0 458.349 4.507 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3CCC(C(=O)c4ccccc4Cl)CC3)cc21 ZINC001457012434 1066741582 /nfs/dbraw/zinc/74/15/82/1066741582.db2.gz YTXMURCMOKFBLQ-UHFFFAOYSA-N 0 0 456.926 4.582 20 0 JJADRN Cc1csc(CCCCn2c(CC3CCCC3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492644309 1066741729 /nfs/dbraw/zinc/74/17/29/1066741729.db2.gz ZZVOLTSZIUTQMR-UHFFFAOYSA-N 0 0 484.636 4.873 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC001446801290 1066741782 /nfs/dbraw/zinc/74/17/82/1066741782.db2.gz WRZPEVXKDZFXOO-LAUBAEHRSA-N 0 0 453.549 4.608 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCC(C)C)n1 ZINC001492644443 1066742146 /nfs/dbraw/zinc/74/21/46/1066742146.db2.gz OJAOJUXGFFGZNF-UHFFFAOYSA-N 0 0 455.628 4.986 20 0 JJADRN O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC001446803049 1066742248 /nfs/dbraw/zinc/74/22/48/1066742248.db2.gz CAOOVUJWRYPQAT-VWLOTQADSA-N 0 0 450.579 4.791 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)C2=O)cc1 ZINC001457013752 1066742887 /nfs/dbraw/zinc/74/28/87/1066742887.db2.gz RIPLKLWCJVBCSY-AVRDEDQJSA-N 0 0 451.567 4.506 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc(Br)c1O ZINC001446806115 1066742875 /nfs/dbraw/zinc/74/28/75/1066742875.db2.gz MYKCHPJXTHFDKK-IEXSPKMKSA-N 0 0 452.732 4.860 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)n1 ZINC001492644720 1066743254 /nfs/dbraw/zinc/74/32/54/1066743254.db2.gz XOTUTJWNJPYMCG-XIFFEERXSA-N 0 0 480.663 4.502 20 0 JJADRN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001446812081 1066743267 /nfs/dbraw/zinc/74/32/67/1066743267.db2.gz DPDKXTHEDHPDFX-UHFFFAOYSA-N 0 0 459.446 4.592 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)c(Br)c1 ZINC001446810106 1066743394 /nfs/dbraw/zinc/74/33/94/1066743394.db2.gz BBUXDAMHTKLSIV-CQSZACIVSA-N 0 0 455.393 4.672 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001457014920 1066743449 /nfs/dbraw/zinc/74/34/49/1066743449.db2.gz LDMSVBZKUBGDDK-QMMMGPOBSA-N 0 0 457.097 4.633 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC001457015438 1066743488 /nfs/dbraw/zinc/74/34/88/1066743488.db2.gz BQVCMLPGTOMLET-NRFANRHFSA-N 0 0 454.567 4.999 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001457014918 1066743499 /nfs/dbraw/zinc/74/34/99/1066743499.db2.gz LDMSVBZKUBGDDK-MRVPVSSYSA-N 0 0 457.097 4.633 20 0 JJADRN COc1cc([C@H](NC(=O)Cc2nc(C3CCCC3)cs2)C(F)(F)F)cc(OC)c1OC ZINC001446809804 1066743485 /nfs/dbraw/zinc/74/34/85/1066743485.db2.gz XERGJWVJGHTMPH-FQEVSTJZSA-N 0 0 458.502 4.789 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3ccccc3)ccc21 ZINC001446813140 1066743922 /nfs/dbraw/zinc/74/39/22/1066743922.db2.gz LDEMIWDPUDMYTB-SANMLTNESA-N 0 0 451.567 4.754 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001457018555 1066744352 /nfs/dbraw/zinc/74/43/52/1066744352.db2.gz VUJMLQVXOSSSKS-IBGZPJMESA-N 0 0 457.452 4.903 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(F)cc2)c1 ZINC001492644983 1066744342 /nfs/dbraw/zinc/74/43/42/1066744342.db2.gz HFNYNGLTIBGBTN-KRWDZBQOSA-N 0 0 480.569 4.538 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492644920 1066744473 /nfs/dbraw/zinc/74/44/73/1066744473.db2.gz FRQQFRXFFHPYJA-OFVILXPXSA-N 0 0 475.703 4.979 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)c(Br)c1 ZINC001446816756 1066744505 /nfs/dbraw/zinc/74/45/05/1066744505.db2.gz WHKSSFDYLRDCHJ-CQSZACIVSA-N 0 0 454.324 4.596 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446817578 1066744527 /nfs/dbraw/zinc/74/45/27/1066744527.db2.gz ZEJXGOVJZZANHW-OPAMFIHVSA-N 0 0 456.464 4.738 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC001457019548 1066744824 /nfs/dbraw/zinc/74/48/24/1066744824.db2.gz MTDRPKCLOOPBHH-WOJBJXKFSA-N 0 0 451.588 4.992 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)nc1C ZINC001457019522 1066744847 /nfs/dbraw/zinc/74/48/47/1066744847.db2.gz SMZMBXSFSQHDDY-KRWDZBQOSA-N 0 0 453.539 4.743 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@@H]3CC)c2)cc1 ZINC001457019778 1066744930 /nfs/dbraw/zinc/74/49/30/1066744930.db2.gz WCHQCPICXCMWDX-DEOSSOPVSA-N 0 0 450.560 4.993 20 0 JJADRN CN1C[C@H](C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc2C1=O ZINC001457019835 1066745037 /nfs/dbraw/zinc/74/50/37/1066745037.db2.gz XTJBKSWAQASSAN-QFIPXVFZSA-N 0 0 454.448 4.983 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Sc4ccccc4Cl)nn3)C2=O)cc1 ZINC001457019422 1066745057 /nfs/dbraw/zinc/74/50/57/1066745057.db2.gz WVDPHBRFBLJFLX-LJQANCHMSA-N 0 0 452.967 4.515 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)n[nH]1 ZINC001446824922 1066745222 /nfs/dbraw/zinc/74/52/22/1066745222.db2.gz AATGPVWBWIFULK-JRGCBEDISA-N 0 0 454.571 4.518 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)c1 ZINC001492645222 1066745375 /nfs/dbraw/zinc/74/53/75/1066745375.db2.gz OJXNBBBBZKOVEC-KRWDZBQOSA-N 0 0 454.575 4.540 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001446827649 1066745570 /nfs/dbraw/zinc/74/55/70/1066745570.db2.gz RWFKTQSESOMZOL-XDHUDOTRSA-N 0 0 456.558 4.554 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](F)C2)n1 ZINC001492645487 1066745914 /nfs/dbraw/zinc/74/59/14/1066745914.db2.gz XHSOVEVLJKAALV-NEWSRXKRSA-N 0 0 492.665 4.932 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001457022124 1066746045 /nfs/dbraw/zinc/74/60/45/1066746045.db2.gz OXNSOZCXCGXLMZ-UHFFFAOYSA-N 0 0 451.470 4.597 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1OC ZINC001457022773 1066746072 /nfs/dbraw/zinc/74/60/72/1066746072.db2.gz WJVSIZDVNPAKGQ-YVMONPNESA-N 0 0 451.544 4.779 20 0 JJADRN Cc1csc(CCCCn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)cc2)n1 ZINC001492645451 1066746053 /nfs/dbraw/zinc/74/60/53/1066746053.db2.gz WKYYWHBJZYQZOW-UHFFFAOYSA-N 0 0 472.416 4.973 20 0 JJADRN COc1ccccc1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457023911 1066746586 /nfs/dbraw/zinc/74/65/86/1066746586.db2.gz BZVYKBFSOJLMTK-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)c2ccc(Cl)cc2)c1 ZINC001457025384 1066747130 /nfs/dbraw/zinc/74/71/30/1066747130.db2.gz GNTJXJXLTKUVMS-DHIUTWEWSA-N 0 0 457.954 4.818 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2COCCO2)c1 ZINC001492645690 1066747110 /nfs/dbraw/zinc/74/71/10/1066747110.db2.gz FPOLREWXIUMRBE-OAHLLOKOSA-N 0 0 497.846 4.783 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)c2)n1 ZINC001446846434 1066747348 /nfs/dbraw/zinc/74/73/48/1066747348.db2.gz CTWLQRIZNHCXSO-JOCHJYFZSA-N 0 0 451.592 4.952 20 0 JJADRN CCC(CC)n1nccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457026899 1066747464 /nfs/dbraw/zinc/74/74/64/1066747464.db2.gz KPYCLGSNUDWNTI-QFIPXVFZSA-N 0 0 459.999 4.821 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)C1CCCCC1 ZINC001446848159 1066747846 /nfs/dbraw/zinc/74/78/46/1066747846.db2.gz UGSGKJISAMEORE-HSZRJFAPSA-N 0 0 456.583 4.547 20 0 JJADRN CC(C)[C@@H](O)C1(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 ZINC001446848714 1066748335 /nfs/dbraw/zinc/74/83/35/1066748335.db2.gz YUHUHDBITNOTDX-HXUWFJFHSA-N 0 0 459.612 4.608 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)c1 ZINC001492646032 1066748434 /nfs/dbraw/zinc/74/84/34/1066748434.db2.gz SLIJMPPFURBVQE-UHFFFAOYSA-N 0 0 481.025 4.658 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001492646113 1066748525 /nfs/dbraw/zinc/74/85/25/1066748525.db2.gz VYVPAGXXHWVBKR-DEOSSOPVSA-N 0 0 490.695 4.542 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 ZINC001457032625 1066748542 /nfs/dbraw/zinc/74/85/42/1066748542.db2.gz CJYXXIVQMSMEBJ-KRWDZBQOSA-N 0 0 455.146 4.941 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)CC2 ZINC001446857263 1066748841 /nfs/dbraw/zinc/74/88/41/1066748841.db2.gz QCLZJSRHSLXPRP-HKUYNNGSSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1ccccc1OCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457032921 1066748922 /nfs/dbraw/zinc/74/89/22/1066748922.db2.gz WNCHXHOZJCQCBU-XMMPIXPASA-N 0 0 457.979 4.727 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCSC2)c1 ZINC001492646182 1066749046 /nfs/dbraw/zinc/74/90/46/1066749046.db2.gz YRJNIQAOWDBCLQ-ZDUSSCGKSA-N 0 0 452.447 4.795 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)c1 ZINC001492646136 1066749061 /nfs/dbraw/zinc/74/90/61/1066749061.db2.gz WTZPPXUDEYWWAA-DEOSSOPVSA-N 0 0 494.583 4.985 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001457033678 1066749041 /nfs/dbraw/zinc/74/90/41/1066749041.db2.gz MBZOJCOICOCUPR-UHFFFAOYSA-N 0 0 458.990 4.744 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457033731 1066749108 /nfs/dbraw/zinc/74/91/08/1066749108.db2.gz ZOFWCMMUYBQZBV-SONWIMMPSA-N 0 0 453.991 4.927 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C)Oc2ccccc2OC)c1 ZINC001457034040 1066749427 /nfs/dbraw/zinc/74/94/27/1066749427.db2.gz YZBARCPOAZLZMR-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(OC(C)C)CC2)c1 ZINC001457033768 1066749527 /nfs/dbraw/zinc/74/95/27/1066749527.db2.gz XWYLDVKFHATTTA-UHFFFAOYSA-N 0 0 458.624 4.712 20 0 JJADRN O=C(NC[C@H]1SCCc2ccccc21)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001457033911 1066749637 /nfs/dbraw/zinc/74/96/37/1066749637.db2.gz YSKDPLKXMGAQTE-NHCUHLMSSA-N 0 0 451.419 4.514 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)c1 ZINC001492646776 1066750020 /nfs/dbraw/zinc/75/00/20/1066750020.db2.gz RFELTAWGICWWNO-OALUTQOASA-N 0 0 475.659 4.578 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001457038090 1066749990 /nfs/dbraw/zinc/74/99/90/1066749990.db2.gz XAMLSWRQDICHCB-LIRRHRJNSA-N 0 0 451.336 4.957 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)c1 ZINC001492646839 1066750363 /nfs/dbraw/zinc/75/03/63/1066750363.db2.gz SYICYWPYUVPKJS-IQGLISFBSA-N 0 0 489.686 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)c1 ZINC001492646893 1066750371 /nfs/dbraw/zinc/75/03/71/1066750371.db2.gz VEOHBQLZAFSZHA-LJQANCHMSA-N 0 0 477.675 4.562 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC ZINC001545990373 1066750546 /nfs/dbraw/zinc/75/05/46/1066750546.db2.gz RRFBSVRUMIVLJX-UXHICEINSA-N 0 0 463.667 4.690 20 0 JJADRN CCc1cnccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001446873239 1066750566 /nfs/dbraw/zinc/75/05/66/1066750566.db2.gz WQSYGBPABZJAGC-INIZCTEOSA-N 0 0 457.983 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001446873607 1066750996 /nfs/dbraw/zinc/75/09/96/1066750996.db2.gz OTWJXQZFPKVLII-NNMXDRDESA-N 0 0 456.583 4.534 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001446874317 1066751011 /nfs/dbraw/zinc/75/10/11/1066751011.db2.gz RCMKCGKUQSUJOE-CVEARBPZSA-N 0 0 459.940 4.635 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3ccc4[nH]c(=S)[nH]c4c3)cc2Br)on1 ZINC001546086409 1066751067 /nfs/dbraw/zinc/75/10/67/1066751067.db2.gz JRTAAIJWUURTST-UHFFFAOYSA-N 0 0 459.325 4.742 20 0 JJADRN CCCOc1ccc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c(OC2CCCC2)c1 ZINC001457046861 1066751095 /nfs/dbraw/zinc/75/10/95/1066751095.db2.gz APNMPEDJBQREIA-UHFFFAOYSA-N 0 0 452.599 4.602 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457052884 1066751628 /nfs/dbraw/zinc/75/16/28/1066751628.db2.gz CJEHVNKWJKBAGU-DEOSSOPVSA-N 0 0 457.592 4.790 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC001446877639 1066751894 /nfs/dbraw/zinc/75/18/94/1066751894.db2.gz HEDAERQFTICEKI-LLVKDONJSA-N 0 0 457.383 4.806 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446880513 1066752432 /nfs/dbraw/zinc/75/24/32/1066752432.db2.gz OJVFGVRANVBWNY-IBGZPJMESA-N 0 0 455.389 4.790 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)c1 ZINC001492647778 1066752452 /nfs/dbraw/zinc/75/24/52/1066752452.db2.gz WNNLMFQEQJHNNK-LJQANCHMSA-N 0 0 489.667 4.703 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCO2)c1 ZINC001492647867 1066752467 /nfs/dbraw/zinc/75/24/67/1066752467.db2.gz ZDHGUGVYFSNOSY-IBGZPJMESA-N 0 0 475.659 4.578 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)c1 ZINC001446880904 1066752812 /nfs/dbraw/zinc/75/28/12/1066752812.db2.gz PUNMSBYDAFABQW-JTSKRJEESA-N 0 0 454.567 4.805 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001446884301 1066753370 /nfs/dbraw/zinc/75/33/70/1066753370.db2.gz VKQVVNLEYFUHCS-VCBZYWHSSA-N 0 0 456.414 4.724 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)c1 ZINC001492648125 1066753413 /nfs/dbraw/zinc/75/34/13/1066753413.db2.gz KLQXYDSWNLPZJP-QGZVFWFLSA-N 0 0 467.517 4.520 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001457065704 1066753607 /nfs/dbraw/zinc/75/36/07/1066753607.db2.gz UAQYZCAZHZXENR-XVBLOMQNSA-N 0 0 451.567 4.693 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1-c1ccc(F)cc1 ZINC001457066947 1066753665 /nfs/dbraw/zinc/75/36/65/1066753665.db2.gz HESURINEDAVQQY-UHFFFAOYSA-N 0 0 456.930 4.561 20 0 JJADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886819 1066753807 /nfs/dbraw/zinc/75/38/07/1066753807.db2.gz YAKBZUXWVCAVQI-KBXCAEBGSA-N 0 0 451.386 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(COc3ccc(Br)cc3)o1)C2 ZINC001457066027 1066754145 /nfs/dbraw/zinc/75/41/45/1066754145.db2.gz VJEQMQCTNLNTIP-MNEFBYGVSA-N 0 0 491.382 4.891 20 0 JJADRN CCCCn1cc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c(C)n1 ZINC001446891684 1066754160 /nfs/dbraw/zinc/75/41/60/1066754160.db2.gz KZROMIHLZOYBAL-UHFFFAOYSA-N 0 0 451.518 4.605 20 0 JJADRN C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1ccc(Br)cc1 ZINC001446887232 1066754210 /nfs/dbraw/zinc/75/42/10/1066754210.db2.gz CHPODCRYTZCOSR-HUUCEWRRSA-N 0 0 457.434 4.788 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886833 1066754265 /nfs/dbraw/zinc/75/42/65/1066754265.db2.gz YAKBZUXWVCAVQI-RDTXWAMCSA-N 0 0 451.386 4.653 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2CCCn2nc(C)cc2C)c1 ZINC001492648442 1066754610 /nfs/dbraw/zinc/75/46/10/1066754610.db2.gz WFQDWUCJIUDCGT-UHFFFAOYSA-N 0 0 468.602 4.906 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)CCCC2)cc1C ZINC001457069857 1066754781 /nfs/dbraw/zinc/75/47/81/1066754781.db2.gz XWFUFVKZASPMNP-UHFFFAOYSA-N 0 0 457.615 4.756 20 0 JJADRN COCC1(C)CCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001446901191 1066754740 /nfs/dbraw/zinc/75/47/40/1066754740.db2.gz VBRVZMOETWBJCB-UHFFFAOYSA-N 0 0 450.579 4.533 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001457072290 1066755339 /nfs/dbraw/zinc/75/53/39/1066755339.db2.gz KNEUYEBAOULZNH-JKSBSHDWSA-N 0 0 457.954 4.685 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1 ZINC001492648952 1066755525 /nfs/dbraw/zinc/75/55/25/1066755525.db2.gz NENJERKAQRQNOR-GRDNDAEWSA-N 0 0 485.507 4.526 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC001492648828 1066755589 /nfs/dbraw/zinc/75/55/89/1066755589.db2.gz JKXZGXJCYQRBLF-TXEJJXNPSA-N 0 0 485.402 4.587 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001457073927 1066755732 /nfs/dbraw/zinc/75/57/32/1066755732.db2.gz JBPRLEMTFFSYHN-SPLOXXLWSA-N 0 0 453.576 4.897 20 0 JJADRN C[C@@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908308 1066755771 /nfs/dbraw/zinc/75/57/71/1066755771.db2.gz IZJLRHFYHMDJTD-CQSZACIVSA-N 0 0 452.967 4.942 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]3C)oc21 ZINC001446909615 1066755807 /nfs/dbraw/zinc/75/58/07/1066755807.db2.gz ZKELNWZQIOPGLD-UONOGXRCSA-N 0 0 451.361 4.974 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]3C)oc21 ZINC001446909609 1066755824 /nfs/dbraw/zinc/75/58/24/1066755824.db2.gz ZKELNWZQIOPGLD-KGLIPLIRSA-N 0 0 451.361 4.974 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545990609 1066755964 /nfs/dbraw/zinc/75/59/64/1066755964.db2.gz VKYNMLKIIKLHIL-XPNTWCBSSA-N 0 0 483.657 4.717 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC001446912116 1066756369 /nfs/dbraw/zinc/75/63/69/1066756369.db2.gz HNDPOBQBNZTVQA-CZUORRHYSA-N 0 0 456.008 4.771 20 0 JJADRN COCCOc1ccccc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001457077856 1066756758 /nfs/dbraw/zinc/75/67/58/1066756758.db2.gz QWBHVLMSVIALLP-XMMPIXPASA-N 0 0 453.922 4.656 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccsc2C(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457078604 1066756776 /nfs/dbraw/zinc/75/67/76/1066756776.db2.gz XQZVLKRSQWVDTI-SFHVURJKSA-N 0 0 453.507 4.998 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545990677 1066756967 /nfs/dbraw/zinc/75/69/67/1066756967.db2.gz WNMIJPUNSUHTHE-JTHBVZDNSA-N 0 0 483.657 4.717 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001446921573 1066757015 /nfs/dbraw/zinc/75/70/15/1066757015.db2.gz FRHCDRHWECRPKA-UHFFFAOYSA-N 0 0 454.573 4.837 20 0 JJADRN C[C@H](c1ccccc1)N(CCO)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001446926299 1066757113 /nfs/dbraw/zinc/75/71/13/1066757113.db2.gz XXBLKSRWXOSYNZ-OAHLLOKOSA-N 0 0 455.908 4.552 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001492649658 1066756997 /nfs/dbraw/zinc/75/69/97/1066756997.db2.gz LCVTYFSRBSIXKK-UHFFFAOYSA-N 0 0 479.437 4.547 20 0 JJADRN Cc1c(Br)cccc1C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001457079738 1066757153 /nfs/dbraw/zinc/75/71/53/1066757153.db2.gz UZLGGGABXKJLNN-OAQYLSRUSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457081802 1066757741 /nfs/dbraw/zinc/75/77/41/1066757741.db2.gz XDDGEZCKKCWDFS-SBUREZEXSA-N 0 0 457.979 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)NCc2ccc(OC(C)(C)C)nc2)CC1 ZINC001446950809 1066758049 /nfs/dbraw/zinc/75/80/49/1066758049.db2.gz AKQTYIVIXKSXFT-UHFFFAOYSA-N 0 0 456.587 4.562 20 0 JJADRN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1nn(-c2ccccc2F)cc1Br ZINC001446952321 1066758104 /nfs/dbraw/zinc/75/81/04/1066758104.db2.gz UWGYOSKYZFZTLS-INIZCTEOSA-N 0 0 458.209 4.622 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546086901 1066758312 /nfs/dbraw/zinc/75/83/12/1066758312.db2.gz AXLUJHOEWDZPLM-NLGDKJDOSA-N 0 0 460.688 4.795 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(Cl)=C(Cl)C2)n1 ZINC001492651180 1066758443 /nfs/dbraw/zinc/75/84/43/1066758443.db2.gz HCQCFTIWXJNXPR-UHFFFAOYSA-N 0 0 454.358 4.709 20 0 JJADRN CN(C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)nc1 ZINC001457088355 1066758662 /nfs/dbraw/zinc/75/86/62/1066758662.db2.gz KHHTYHRFCKZXLZ-UHFFFAOYSA-N 0 0 457.168 4.924 20 0 JJADRN CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001446962992 1066758771 /nfs/dbraw/zinc/75/87/71/1066758771.db2.gz OCWXBDAEYXNIMO-INIZCTEOSA-N 0 0 455.139 4.536 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@@H](C)O1 ZINC001457088998 1066758833 /nfs/dbraw/zinc/75/88/33/1066758833.db2.gz FILDTZTZRYOYPZ-QZTJIDSGSA-N 0 0 459.428 4.809 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCN(C)[C@@H](C)[C@H]3C)cc12 ZINC001446963413 1066759072 /nfs/dbraw/zinc/75/90/72/1066759072.db2.gz FDEUFMZJPWXRBY-UONOGXRCSA-N 0 0 451.423 4.926 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2cccc(O)c2)n1 ZINC001492651862 1066759220 /nfs/dbraw/zinc/75/92/20/1066759220.db2.gz GIGOBHKFIVIDCJ-OZOXKJRCSA-N 0 0 455.628 4.913 20 0 JJADRN Cc1csc(Cn2c(N3CCO[C@@H](c4ccccc4Br)C3)nnc2C(C)(C)C)n1 ZINC001492651866 1066759234 /nfs/dbraw/zinc/75/92/34/1066759234.db2.gz GLUSOTKVWUNYNG-QGZVFWFLSA-N 0 0 476.444 4.729 20 0 JJADRN Cc1csc(Cn2c(N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)n1 ZINC001492651674 1066759306 /nfs/dbraw/zinc/75/93/06/1066759306.db2.gz YYDJLPZUDCZGJR-FQEVSTJZSA-N 0 0 460.047 4.992 20 0 JJADRN Cc1csc(Cn2c(N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)nnc2C(C)(C)C)n1 ZINC001492651675 1066759363 /nfs/dbraw/zinc/75/93/63/1066759363.db2.gz YYDJLPZUDCZGJR-HXUWFJFHSA-N 0 0 460.047 4.992 20 0 JJADRN Cc1csc(Cn2c(N3CCO[C@H](c4ccc(Br)cc4)C3)nnc2C(C)(C)C)n1 ZINC001492652088 1066759773 /nfs/dbraw/zinc/75/97/73/1066759773.db2.gz NYNPRAPNSOSOME-KRWDZBQOSA-N 0 0 476.444 4.729 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492652323 1066759853 /nfs/dbraw/zinc/75/98/53/1066759853.db2.gz CMHQDMVGSIUISU-MRXNPFEDSA-N 0 0 483.535 4.660 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3Cc3c(C)sc(C)c3Br)CC2)n1 ZINC001492652092 1066759894 /nfs/dbraw/zinc/75/98/94/1066759894.db2.gz OAEHIJIIBMRMLF-UHFFFAOYSA-N 0 0 495.516 4.982 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC=CO2)CCO1 ZINC001546086987 1066760200 /nfs/dbraw/zinc/76/02/00/1066760200.db2.gz CRSYICDJJXQJLW-XMSQKQJNSA-N 0 0 461.404 4.714 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC001446973325 1066760315 /nfs/dbraw/zinc/76/03/15/1066760315.db2.gz JXZBSFFQOJKQJV-OPAMFIHVSA-N 0 0 452.551 4.988 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC001457097121 1066760788 /nfs/dbraw/zinc/76/07/88/1066760788.db2.gz IMONTNQANCIIDS-JPZYQRIQSA-N 0 0 454.979 4.755 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCCOC3CCCCC3)CC2)n1 ZINC001492652936 1066760767 /nfs/dbraw/zinc/76/07/67/1066760767.db2.gz RLQLUUWSARNROG-UHFFFAOYSA-N 0 0 460.692 4.698 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1 ZINC001457096354 1066760892 /nfs/dbraw/zinc/76/08/92/1066760892.db2.gz GQHGEFPNSKLERS-UHFFFAOYSA-N 0 0 450.604 4.980 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c(O)c1)c1cc(F)cc(F)c1 ZINC001446978642 1066761011 /nfs/dbraw/zinc/76/10/11/1066761011.db2.gz GJZFJGOONCLKIC-HXUWFJFHSA-N 0 0 456.420 4.706 20 0 JJADRN O=C(N[C@H]1CC12CCCCC2)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001446977589 1066761031 /nfs/dbraw/zinc/76/10/31/1066761031.db2.gz BLLRHDBOJXVXOW-IBGZPJMESA-N 0 0 452.498 4.959 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001492653338 1066761483 /nfs/dbraw/zinc/76/14/83/1066761483.db2.gz FCQZRNJXDABGHC-INIZCTEOSA-N 0 0 469.602 4.902 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001492653495 1066761838 /nfs/dbraw/zinc/76/18/38/1066761838.db2.gz AULSGYOFCIJUOP-UHFFFAOYSA-N 0 0 481.666 4.880 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492653574 1066761911 /nfs/dbraw/zinc/76/19/11/1066761911.db2.gz JMNGQKMDRBZKFQ-HNNXBMFYSA-N 0 0 454.493 4.995 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001492653458 1066761950 /nfs/dbraw/zinc/76/19/50/1066761950.db2.gz IMRJCABSSFTPEQ-GOSISDBHSA-N 0 0 471.675 4.675 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)C1 ZINC001457099473 1066761964 /nfs/dbraw/zinc/76/19/64/1066761964.db2.gz JDTOHGNEHANKQZ-RFWILCRPSA-N 0 0 459.406 4.516 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001492653819 1066762432 /nfs/dbraw/zinc/76/24/32/1066762432.db2.gz HFQVUAGPOMFETK-UHFFFAOYSA-N 0 0 477.556 4.567 20 0 JJADRN COCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(OC)c(OC)c1 ZINC001457101988 1066762373 /nfs/dbraw/zinc/76/23/73/1066762373.db2.gz ZKRURZDVTMOXGQ-UHFFFAOYSA-N 0 0 451.548 4.706 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446989544 1066762484 /nfs/dbraw/zinc/76/24/84/1066762484.db2.gz UUUABTWJOSXDCK-INIZCTEOSA-N 0 0 455.356 4.571 20 0 JJADRN CC[S@@](=O)(=NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)c1cccc(Cl)c1 ZINC001457102792 1066762916 /nfs/dbraw/zinc/76/29/16/1066762916.db2.gz WSUWPZUEOKNPEW-HKBQPEDESA-N 0 0 457.983 4.884 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492653912 1066762970 /nfs/dbraw/zinc/76/29/70/1066762970.db2.gz IHZZOEAWDDRTHV-LJQANCHMSA-N 0 0 482.654 4.842 20 0 JJADRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446990839 1066763146 /nfs/dbraw/zinc/76/31/46/1066763146.db2.gz OQDIYLAVWTXIOG-PKOBYXMFSA-N 0 0 455.640 4.517 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001492654114 1066763406 /nfs/dbraw/zinc/76/34/06/1066763406.db2.gz MHBBHWSAWQNHIO-INIZCTEOSA-N 0 0 461.429 4.989 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC001457104526 1066763563 /nfs/dbraw/zinc/76/35/63/1066763563.db2.gz VVXBGDSLMAOOPO-JLZZUVOBSA-N 0 0 451.386 4.515 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc21 ZINC001457105515 1066763567 /nfs/dbraw/zinc/76/35/67/1066763567.db2.gz ZHHBUYVRWLVFGG-IRJMIRDBSA-N 0 0 458.514 4.524 20 0 JJADRN CCCN(C(=O)c1ccc(I)cn1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001457105877 1066763935 /nfs/dbraw/zinc/76/39/35/1066763935.db2.gz IAOKFOKPYBMGOW-ZWKOTPCHSA-N 0 0 456.368 4.666 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1 ZINC001457108944 1066763958 /nfs/dbraw/zinc/76/39/58/1066763958.db2.gz NPPOJRPCBSAEKO-UHFFFAOYSA-N 0 0 457.530 4.604 20 0 JJADRN CC(C)(C(=O)N1CCO[C@H](Cc2ccccc2)C1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001446996900 1066764062 /nfs/dbraw/zinc/76/40/62/1066764062.db2.gz OBPXISRNLNOBIH-SXOMAYOGSA-N 0 0 459.586 4.795 20 0 JJADRN Cc1cscc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492654718 1066764244 /nfs/dbraw/zinc/76/42/44/1066764244.db2.gz ZRXLBMCSYOTZMU-RBUKOAKNSA-N 0 0 484.670 4.831 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)[C@H]2CC[C@@H](SC)C2)cc1OC ZINC001457109488 1066764240 /nfs/dbraw/zinc/76/42/40/1066764240.db2.gz JQYVWWMEJSBZMN-VQTJNVASSA-N 0 0 451.592 4.913 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)s1 ZINC001492654730 1066764389 /nfs/dbraw/zinc/76/43/89/1066764389.db2.gz AEHDEOAPKKGFSC-LJQANCHMSA-N 0 0 455.628 4.578 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 ZINC001447000174 1066764413 /nfs/dbraw/zinc/76/44/13/1066764413.db2.gz YOVWKEXVEFMFRY-UHFFFAOYSA-N 0 0 453.955 4.759 20 0 JJADRN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)c1ccc(Cl)s1 ZINC001447005786 1066764574 /nfs/dbraw/zinc/76/45/74/1066764574.db2.gz WDMOVTUAGGTRKE-NSHDSACASA-N 0 0 456.923 4.972 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001457112316 1066764841 /nfs/dbraw/zinc/76/48/41/1066764841.db2.gz JWKQIWSATVJIOP-NSHDSACASA-N 0 0 452.761 4.951 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001457112307 1066764919 /nfs/dbraw/zinc/76/49/19/1066764919.db2.gz JUVDRDWLELHNLO-AWEZNQCLSA-N 0 0 455.786 4.692 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)ccc1S(N)(=O)=O ZINC001447006205 1066765053 /nfs/dbraw/zinc/76/50/53/1066765053.db2.gz DPUZXSCXJFKYAZ-MJGOQNOKSA-N 0 0 454.514 4.508 20 0 JJADRN CC[C@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001457113890 1066765405 /nfs/dbraw/zinc/76/54/05/1066765405.db2.gz PLKHYXDYMFEJLC-NRFANRHFSA-N 0 0 450.992 4.758 20 0 JJADRN CC(C)[C@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001457113589 1066765419 /nfs/dbraw/zinc/76/54/19/1066765419.db2.gz NSUFRJPJXHASPR-DYVFJYSZSA-N 0 0 453.008 4.906 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001457114074 1066765455 /nfs/dbraw/zinc/76/54/55/1066765455.db2.gz TUHPKZRTKBZBEH-UHFFFAOYSA-N 0 0 451.466 4.767 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cc(O)ccc1C(F)(F)F)CC2 ZINC001457114518 1066765481 /nfs/dbraw/zinc/76/54/81/1066765481.db2.gz JIHQSNNYTGFHKI-SFHVURJKSA-N 0 0 456.505 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001447011295 1066765586 /nfs/dbraw/zinc/76/55/86/1066765586.db2.gz RHVUQTYWMZDXLU-LHSJRXKWSA-N 0 0 451.354 4.765 20 0 JJADRN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3nc(C(C)(C)C)sc3c1)C2=O ZINC001457115487 1066765901 /nfs/dbraw/zinc/76/59/01/1066765901.db2.gz SYQDVDWZPKNYTA-LFPIHBKWSA-N 0 0 456.612 4.669 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CCOCC1 ZINC001492655470 1066766234 /nfs/dbraw/zinc/76/62/34/1066766234.db2.gz IQINHPXZGRRSKG-TYKWCNGQSA-N 0 0 489.686 4.720 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1c(Cl)cnn1C ZINC001457117416 1066766441 /nfs/dbraw/zinc/76/64/41/1066766441.db2.gz ZQNWTSSALQIEOZ-UHFFFAOYSA-N 0 0 450.764 4.919 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991707 1066766508 /nfs/dbraw/zinc/76/65/08/1066766508.db2.gz XJXASUSSLJPGFM-OSPHWJPCSA-N 0 0 452.002 4.806 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)cc2)n1 ZINC001457120081 1066766633 /nfs/dbraw/zinc/76/66/33/1066766633.db2.gz CYDKAKMDQOXUMD-UHFFFAOYSA-N 0 0 451.523 4.548 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)C12CCCCC2 ZINC001457123595 1066767102 /nfs/dbraw/zinc/76/71/02/1066767102.db2.gz YYKGIBMEUABWOE-PKTZIBPZSA-N 0 0 454.615 4.817 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)[C@@H](C)[C@@H]1OC ZINC001447023284 1066767210 /nfs/dbraw/zinc/76/72/10/1066767210.db2.gz LHFBYEKRWBVDAB-LPTQZCDUSA-N 0 0 455.624 4.844 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2F)s1 ZINC001492655653 1066767398 /nfs/dbraw/zinc/76/73/98/1066767398.db2.gz VMDNKYANWZRGIZ-INIZCTEOSA-N 0 0 479.585 4.578 20 0 JJADRN CCC1(CC)[C@H](NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)[C@H](C)[C@H]1OC ZINC001447029132 1066767806 /nfs/dbraw/zinc/76/78/06/1066767806.db2.gz SSBBRIORQFXSSH-NTSGDEEZSA-N 0 0 458.599 4.825 20 0 JJADRN O=C(COc1cccc2ccccc21)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001447027021 1066768021 /nfs/dbraw/zinc/76/80/21/1066768021.db2.gz JGYJAHLEPVXLBQ-UHFFFAOYSA-N 0 0 459.464 4.713 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC=CCO2)CCO1 ZINC001546087471 1066768158 /nfs/dbraw/zinc/76/81/58/1066768158.db2.gz MWSSYBQOZTUQAM-JYFHCDHNSA-N 0 0 454.615 4.720 20 0 JJADRN CCCN(CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001447046359 1066768450 /nfs/dbraw/zinc/76/84/50/1066768450.db2.gz BKPDLYGPCGSREI-LJQANCHMSA-N 0 0 455.640 4.613 20 0 JJADRN CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)N1CCO[C@@H](CC)C1 ZINC001447035105 1066768621 /nfs/dbraw/zinc/76/86/21/1066768621.db2.gz XYJDHSQGHKYDFU-GOTSBHOMSA-N 0 0 459.428 4.867 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2sccc2S(=O)(=O)C(F)F)cc1 ZINC001457129674 1066768749 /nfs/dbraw/zinc/76/87/49/1066768749.db2.gz RKQTWHGAOXRHHX-CYBMUJFWSA-N 0 0 451.516 4.911 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492656442 1066768933 /nfs/dbraw/zinc/76/89/33/1066768933.db2.gz IBZGNZMVGAAFOC-LJQANCHMSA-N 0 0 474.675 4.745 20 0 JJADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001457132498 1066769143 /nfs/dbraw/zinc/76/91/43/1066769143.db2.gz HIMMZPLKWPTKMP-LBPRGKRZSA-N 0 0 451.864 4.529 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CCO1 ZINC001546087515 1066769264 /nfs/dbraw/zinc/76/92/64/1066769264.db2.gz NQGRVALCWZBNSZ-OAQYLSRUSA-N 0 0 450.345 4.840 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001457134444 1066769631 /nfs/dbraw/zinc/76/96/31/1066769631.db2.gz KYLOYLFUTRDDCG-CQSZACIVSA-N 0 0 451.432 4.591 20 0 JJADRN Cc1nc(C)c(CCn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492656978 1066769926 /nfs/dbraw/zinc/76/99/26/1066769926.db2.gz KPYJLPSWYCBDCU-UHFFFAOYSA-N 0 0 467.683 4.713 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001457135565 1066770138 /nfs/dbraw/zinc/77/01/38/1066770138.db2.gz PSFYBSIOKOLTJH-GFCCVEGCSA-N 0 0 453.317 4.901 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(O)c1 ZINC001447057040 1066770330 /nfs/dbraw/zinc/77/03/30/1066770330.db2.gz DBFBVFFKIQYWDV-UHFFFAOYSA-N 0 0 457.280 4.771 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc[nH]3)nnc2N(C)CCOc2cccc(Cl)c2)s1 ZINC001492657061 1066770355 /nfs/dbraw/zinc/77/03/55/1066770355.db2.gz QOIVLNVKJYIIFR-UHFFFAOYSA-N 0 0 457.003 4.758 20 0 JJADRN Cc1sc2ncn(CCC(=O)Nc3ccc(SCc4ccccc4)cn3)c(=O)c2c1C ZINC001447068560 1066770754 /nfs/dbraw/zinc/77/07/54/1066770754.db2.gz KTTOETJDERTDKF-UHFFFAOYSA-N 0 0 450.589 4.791 20 0 JJADRN CC(C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 ZINC001457138967 1066771071 /nfs/dbraw/zinc/77/10/71/1066771071.db2.gz KVJHOTFAFWWAFH-INIZCTEOSA-N 0 0 452.979 4.812 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1C ZINC001447070363 1066771338 /nfs/dbraw/zinc/77/13/38/1066771338.db2.gz MRKUWOCTGILVAY-QGZVFWFLSA-N 0 0 458.990 4.769 20 0 JJADRN CC(C)(C)OC(=O)Cn1cccc(C(=O)N(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1=O ZINC001457142827 1066771447 /nfs/dbraw/zinc/77/14/47/1066771447.db2.gz VHSVPTHKGMOMNA-FYYLOGMGSA-N 0 0 456.627 4.934 20 0 JJADRN COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001457142381 1066771484 /nfs/dbraw/zinc/77/14/84/1066771484.db2.gz ZRKVHQIKMMHJTF-XJKSGUPXSA-N 0 0 459.637 4.734 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@H]2C)CCO1 ZINC001546087113 1066771536 /nfs/dbraw/zinc/77/15/36/1066771536.db2.gz GRPMNKVKMKMNMC-ZMPRRUGASA-N 0 0 453.414 4.930 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545992307 1066771505 /nfs/dbraw/zinc/77/15/05/1066771505.db2.gz HJPNWBKLIHKVTO-YLJYHZDGSA-N 0 0 473.618 4.576 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2F)CCO1 ZINC001546087135 1066771594 /nfs/dbraw/zinc/77/15/94/1066771594.db2.gz GZQWBLLOIDQMHP-WAIKUNEKSA-N 0 0 459.953 4.605 20 0 JJADRN COc1cc(CCC(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)ccc1OCC(F)(F)F ZINC001457144277 1066771917 /nfs/dbraw/zinc/77/19/17/1066771917.db2.gz XDKXQWIBYYGRBR-IBGZPJMESA-N 0 0 459.468 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001457143855 1066771974 /nfs/dbraw/zinc/77/19/74/1066771974.db2.gz LXHBCFUPIODSLR-JKSUJKDBSA-N 0 0 455.382 4.683 20 0 JJADRN CCOc1cc(C(=O)N2CCN(C)c3cc(F)ccc32)ccc1OCCOc1ccccc1 ZINC001457144185 1066772148 /nfs/dbraw/zinc/77/21/48/1066772148.db2.gz WJURBNRPSNFDOI-UHFFFAOYSA-N 0 0 450.510 4.779 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cc2ccccc2)ccc1O)c1ccccc1 ZINC001447092618 1066772100 /nfs/dbraw/zinc/77/21/00/1066772100.db2.gz JWIQAOJUGDREFJ-SANMLTNESA-N 0 0 450.538 4.963 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 ZINC001492658306 1066772527 /nfs/dbraw/zinc/77/25/27/1066772527.db2.gz ARTYLOYDGHNXNE-AWEZNQCLSA-N 0 0 456.925 4.894 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546087248 1066772569 /nfs/dbraw/zinc/77/25/69/1066772569.db2.gz IVIFFWMKKGGGBJ-QFBILLFUSA-N 0 0 464.891 4.710 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)s1 ZINC001492657950 1066772611 /nfs/dbraw/zinc/77/26/11/1066772611.db2.gz HAAQVYRYMQBSED-SFHVURJKSA-N 0 0 476.691 4.997 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)c3cc(Br)cn4ccnc34)ccn2)c1C ZINC001457148341 1066773023 /nfs/dbraw/zinc/77/30/23/1066773023.db2.gz LHBFYZMLHYECBX-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546087570 1066773647 /nfs/dbraw/zinc/77/36/47/1066773647.db2.gz OHXOLIMUWRIQAJ-UYSSGXRJSA-N 0 0 456.631 4.943 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492659131 1066774805 /nfs/dbraw/zinc/77/48/05/1066774805.db2.gz RGPXRVODCXMGRA-HXUWFJFHSA-N 0 0 452.628 4.894 20 0 JJADRN CCc1ccc(N2CCN(C(=O)C[C@H](NC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC001457154076 1066774741 /nfs/dbraw/zinc/77/47/41/1066774741.db2.gz BMIXQBGWFUXRET-MHZLTWQESA-N 0 0 455.602 4.767 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnc(C)s2)CCO1 ZINC001546087757 1066775276 /nfs/dbraw/zinc/77/52/76/1066775276.db2.gz SHJPGGOBWWNLJZ-XMMPIXPASA-N 0 0 471.627 4.559 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCO[C@H](C)C2)CCO1 ZINC001546087807 1066775590 /nfs/dbraw/zinc/77/55/90/1066775590.db2.gz UGEUUNFKJBUPCD-QZTZHPFYSA-N 0 0 463.022 4.818 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659458 1066775850 /nfs/dbraw/zinc/77/58/50/1066775850.db2.gz BQVLWEOYGSSJDF-YJBOKZPZSA-N 0 0 476.691 4.728 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546087819 1066775677 /nfs/dbraw/zinc/77/56/77/1066775677.db2.gz UNBXEKSTWROYPS-XMMPIXPASA-N 0 0 457.022 4.813 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC001492659612 1066776448 /nfs/dbraw/zinc/77/64/48/1066776448.db2.gz HBUPNMCWXAZSCM-IBGZPJMESA-N 0 0 494.709 4.562 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c(Br)c1 ZINC001447126106 1066776694 /nfs/dbraw/zinc/77/66/94/1066776694.db2.gz GJLRVPHPVRWVPU-KRWDZBQOSA-N 0 0 457.434 4.523 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)s1 ZINC001492659965 1066776834 /nfs/dbraw/zinc/77/68/34/1066776834.db2.gz FXVIEQRIEZKLOV-KBPBESRZSA-N 0 0 476.444 4.833 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC001457161965 1066776864 /nfs/dbraw/zinc/77/68/64/1066776864.db2.gz JOBGCJAXZMTWCJ-RDJZCZTQSA-N 0 0 451.350 4.852 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)Oc1ccc(F)cc1 ZINC001447133424 1066777269 /nfs/dbraw/zinc/77/72/69/1066777269.db2.gz FBFDIDCPDJAMNX-QRRJMBGHSA-N 0 0 459.926 4.818 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n2)n1 ZINC001457164825 1066777305 /nfs/dbraw/zinc/77/73/05/1066777305.db2.gz HXTPDDIODXITCP-UHFFFAOYSA-N 0 0 455.946 4.815 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492660187 1066777506 /nfs/dbraw/zinc/77/75/06/1066777506.db2.gz KIBHZRRHJZLQQM-UHFFFAOYSA-N 0 0 469.655 4.989 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccc(Cn2cncn2)cc1 ZINC001457165443 1066777623 /nfs/dbraw/zinc/77/76/23/1066777623.db2.gz GEHRHCCEJXNKPC-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(Cl)ccc1SC1CCCC1)Oc1ccc(F)cc1 ZINC001447143745 1066777949 /nfs/dbraw/zinc/77/79/49/1066777949.db2.gz OYDPIAPUQGOQEI-IBGZPJMESA-N 0 0 451.947 4.864 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)n2)c1 ZINC001457166915 1066778075 /nfs/dbraw/zinc/77/80/75/1066778075.db2.gz FTTFQTXOGFEKRF-AWEZNQCLSA-N 0 0 450.520 4.580 20 0 JJADRN CC[C@@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1C1CC1 ZINC001447141457 1066778018 /nfs/dbraw/zinc/77/80/18/1066778018.db2.gz LVBSUYRMNWRCHJ-OAHLLOKOSA-N 0 0 456.543 4.924 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492660762 1066778468 /nfs/dbraw/zinc/77/84/68/1066778468.db2.gz UFSAPTZLMBPSHD-YZGWKJHDSA-N 0 0 461.676 4.570 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(CC(C)C)nnc3N3CCC(OCCC(C)C)CC3)cc2)n[nH]1 ZINC001492660786 1066778609 /nfs/dbraw/zinc/77/86/09/1066778609.db2.gz VBOCDVILYHZYAP-UHFFFAOYSA-N 0 0 465.646 4.650 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 ZINC001457168456 1066778712 /nfs/dbraw/zinc/77/87/12/1066778712.db2.gz KNNCDRWWJHWEDH-OAHLLOKOSA-N 0 0 452.511 4.512 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccc(-c2ncco2)c1 ZINC001447163010 1066779207 /nfs/dbraw/zinc/77/92/07/1066779207.db2.gz IKHJOVWDLAVXCF-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)s1 ZINC001492660867 1066779365 /nfs/dbraw/zinc/77/93/65/1066779365.db2.gz XIBZACVDMDHDQX-CQSZACIVSA-N 0 0 472.615 4.814 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(N(C)Cc4ccc(Br)o4)nnc3C(C)(C)C)cc2)n[nH]1 ZINC001492660855 1066779376 /nfs/dbraw/zinc/77/93/76/1066779376.db2.gz XCDIUJNVDQGBRP-UHFFFAOYSA-N 0 0 484.402 4.709 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CCCS2)CCO1 ZINC001546088026 1066779656 /nfs/dbraw/zinc/77/96/56/1066779656.db2.gz YHBOYAUDXZNTMM-VXKWHMMOSA-N 0 0 451.036 4.898 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)[C@H](O)C1CCCCCCC1 ZINC001447167343 1066779715 /nfs/dbraw/zinc/77/97/15/1066779715.db2.gz QSSNSEXXHFKKTP-QGZVFWFLSA-N 0 0 452.311 4.684 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@@]2(O)CCCC2(C)C)cs1 ZINC001492661086 1066779798 /nfs/dbraw/zinc/77/97/98/1066779798.db2.gz CRMAEYNJOYFNJB-DWXRJYCRSA-N 0 0 483.682 4.738 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@]2(O)CCCC2(C)C)cs1 ZINC001492661089 1066779808 /nfs/dbraw/zinc/77/98/08/1066779808.db2.gz CRMAEYNJOYFNJB-WXTAPIANSA-N 0 0 483.682 4.738 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001447167001 1066779758 /nfs/dbraw/zinc/77/97/58/1066779758.db2.gz FGJJVMGXHHHBTC-HXUWFJFHSA-N 0 0 455.942 4.916 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC001457172128 1066780194 /nfs/dbraw/zinc/78/01/94/1066780194.db2.gz UHLBQVMGKWMHRO-UHFFFAOYSA-N 0 0 451.866 4.798 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492661066 1066780240 /nfs/dbraw/zinc/78/02/40/1066780240.db2.gz CHQKDTBZMFIKSY-AWEZNQCLSA-N 0 0 474.537 4.511 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001447169781 1066780361 /nfs/dbraw/zinc/78/03/61/1066780361.db2.gz JBDGZGLCJUEGOZ-LBPRGKRZSA-N 0 0 458.608 4.863 20 0 JJADRN CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1S(C)(=O)=O ZINC001457178397 1066780738 /nfs/dbraw/zinc/78/07/38/1066780738.db2.gz MXEFZUXQKXYEFU-UHFFFAOYSA-N 0 0 450.438 4.573 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001457177089 1066780811 /nfs/dbraw/zinc/78/08/11/1066780811.db2.gz VUXDHPFWDPFDRG-AWEZNQCLSA-N 0 0 453.905 4.752 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCCCn2ccnc2C)cs1 ZINC001492661596 1066780745 /nfs/dbraw/zinc/78/07/45/1066780745.db2.gz KDOXKUGVYRWEAC-KRWDZBQOSA-N 0 0 467.618 4.956 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001447176696 1066780935 /nfs/dbraw/zinc/78/09/35/1066780935.db2.gz UGFLEWKDMOMFFD-KRWDZBQOSA-N 0 0 456.732 4.803 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545993343 1066781417 /nfs/dbraw/zinc/78/14/17/1066781417.db2.gz VTKMDMHYNVEWQD-DNVCBOLYSA-N 0 0 493.427 4.676 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492661758 1066781320 /nfs/dbraw/zinc/78/13/20/1066781320.db2.gz LZJDNCFWSSMRFR-MRXNPFEDSA-N 0 0 488.633 4.885 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)CC2=O)c1C ZINC001447198225 1066781825 /nfs/dbraw/zinc/78/18/25/1066781825.db2.gz JTVDMKLDPKIMFA-GOSISDBHSA-N 0 0 453.995 4.792 20 0 JJADRN CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)CC1=O ZINC001447198642 1066781836 /nfs/dbraw/zinc/78/18/36/1066781836.db2.gz MDYMCACYPXVGDN-GDBMZVCRSA-N 0 0 454.518 4.519 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)CC2=O)c1C ZINC001447198231 1066781862 /nfs/dbraw/zinc/78/18/62/1066781862.db2.gz JTVDMKLDPKIMFA-SFHVURJKSA-N 0 0 453.995 4.792 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)c1 ZINC001457186620 1066782248 /nfs/dbraw/zinc/78/22/48/1066782248.db2.gz CYYUVDKOMIVDNG-UJAVWCLSSA-N 0 0 451.166 4.828 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1nnc(C(C)(C)C)s1)C(F)(F)F ZINC001457186440 1066782263 /nfs/dbraw/zinc/78/22/63/1066782263.db2.gz JKUPZMRHWXNKKL-HNNXBMFYSA-N 0 0 451.518 4.714 20 0 JJADRN C[C@H](OC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1nc2cc(Cl)ccc2n1C ZINC001457186335 1066782302 /nfs/dbraw/zinc/78/23/02/1066782302.db2.gz LRTOHPBKBULOGL-LBPRGKRZSA-N 0 0 450.322 4.751 20 0 JJADRN C[C@@H](OC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1nc2cc(Cl)ccc2n1C ZINC001457186331 1066782342 /nfs/dbraw/zinc/78/23/42/1066782342.db2.gz LRTOHPBKBULOGL-GFCCVEGCSA-N 0 0 450.322 4.751 20 0 JJADRN CCN(C(=O)c1cccc(COc2ccc(C)nc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457187184 1066782364 /nfs/dbraw/zinc/78/23/64/1066782364.db2.gz OGXANYNGRRTMJG-UHFFFAOYSA-N 0 0 453.583 4.831 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)n2CCc2cccs2)cs1 ZINC001492662669 1066782368 /nfs/dbraw/zinc/78/23/68/1066782368.db2.gz WTQOYJCMFAWEKA-KNTRGWTASA-N 0 0 485.704 4.873 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1cccn1-c1c(Cl)cccc1Cl ZINC001447203382 1066782385 /nfs/dbraw/zinc/78/23/85/1066782385.db2.gz QGSZYBVOFZAJPQ-UHFFFAOYSA-N 0 0 458.345 4.633 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CCO2)no1 ZINC001492662988 1066782870 /nfs/dbraw/zinc/78/28/70/1066782870.db2.gz PIYXMLAUKNNLEY-OXJNMPFZSA-N 0 0 472.565 4.653 20 0 JJADRN C[C@@H](OC(=O)c1ccc(I)cc1F)c1nc2ccc(Cl)cc2n1C ZINC001457190499 1066782951 /nfs/dbraw/zinc/78/29/51/1066782951.db2.gz RQYYQEMRTOVQNB-SECBINFHSA-N 0 0 458.658 4.888 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC001447222219 1066783398 /nfs/dbraw/zinc/78/33/98/1066783398.db2.gz PXVGDTAATQPLOR-UHFFFAOYSA-N 0 0 458.465 4.911 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCOCCC(C)C)CCO2)no1 ZINC001492663005 1066783462 /nfs/dbraw/zinc/78/34/62/1066783462.db2.gz PRMKFMKJNKDJED-IBGZPJMESA-N 0 0 495.411 4.584 20 0 JJADRN COCC[C@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)c2ccccc21 ZINC001457193184 1066783851 /nfs/dbraw/zinc/78/38/51/1066783851.db2.gz RVDPUSXZABWMRK-CQSZACIVSA-N 0 0 452.429 4.674 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001447232825 1066784017 /nfs/dbraw/zinc/78/40/17/1066784017.db2.gz QMUWCTMQVKXIRF-ZDUSSCGKSA-N 0 0 450.486 4.540 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001447246061 1066784462 /nfs/dbraw/zinc/78/44/62/1066784462.db2.gz LCTBEJPAEZAQOZ-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC001447232948 1066784486 /nfs/dbraw/zinc/78/44/86/1066784486.db2.gz RWBIPCABZIWRDO-DOPJRALCSA-N 0 0 456.505 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001457195894 1066785045 /nfs/dbraw/zinc/78/50/45/1066785045.db2.gz MJYRPRGXKYYUAF-KRWDZBQOSA-N 0 0 458.521 4.714 20 0 JJADRN O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447249578 1066784998 /nfs/dbraw/zinc/78/49/98/1066784998.db2.gz IKMKMIXNELUAIH-GOSISDBHSA-N 0 0 456.367 4.882 20 0 JJADRN O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(I)cc(C(F)(F)F)c1 ZINC001447246311 1066785030 /nfs/dbraw/zinc/78/50/30/1066785030.db2.gz MYIUFGJCIRRSLA-UHFFFAOYSA-N 0 0 457.193 4.952 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492664610 1066785064 /nfs/dbraw/zinc/78/50/64/1066785064.db2.gz MWIUJYNRGNLFJW-SJLPKXTDSA-N 0 0 481.592 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCCC(F)(F)F)cs1 ZINC001492665104 1066785612 /nfs/dbraw/zinc/78/56/12/1066785612.db2.gz XIEGENOQMJVECA-UHFFFAOYSA-N 0 0 486.951 4.705 20 0 JJADRN C[C@@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)cc1OC(F)F ZINC001447265713 1066786197 /nfs/dbraw/zinc/78/61/97/1066786197.db2.gz MGJFREIYKLZOFG-GFCCVEGCSA-N 0 0 451.445 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001492665280 1066786194 /nfs/dbraw/zinc/78/61/94/1066786194.db2.gz CLMUKQJFEGFSQZ-UHFFFAOYSA-N 0 0 463.655 4.788 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199497 1066786605 /nfs/dbraw/zinc/78/66/05/1066786605.db2.gz SRLGTVLXYJSLSU-OALUTQOASA-N 0 0 455.640 4.566 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001457198863 1066786643 /nfs/dbraw/zinc/78/66/43/1066786643.db2.gz LKBKVFLARJTPIN-IBGZPJMESA-N 0 0 451.954 4.739 20 0 JJADRN O=C(Nc1ccc(Cl)cc1O)c1cccc(Br)c1I ZINC001447272963 1066786740 /nfs/dbraw/zinc/78/67/40/1066786740.db2.gz GHIZHMKCBIRNGQ-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001457199250 1066786850 /nfs/dbraw/zinc/78/68/50/1066786850.db2.gz KUGWLRKXKFIIIV-UHFFFAOYSA-N 0 0 459.333 4.526 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)cc1 ZINC001457199641 1066786895 /nfs/dbraw/zinc/78/68/95/1066786895.db2.gz UYHRCWKGMZXVGH-QFIPXVFZSA-N 0 0 455.507 4.504 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC2)cc1C ZINC001447275494 1066786949 /nfs/dbraw/zinc/78/69/49/1066786949.db2.gz STRIKMVAHNDBIX-UHFFFAOYSA-N 0 0 455.624 4.621 20 0 JJADRN COc1ccc(/C=C(\C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c2cccs2)cc1 ZINC001457200812 1066787112 /nfs/dbraw/zinc/78/71/12/1066787112.db2.gz RBDUXFKVBOKJJI-OKPNHQCWSA-N 0 0 452.963 4.872 20 0 JJADRN COC(=O)CC1(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCCCC1 ZINC001457201117 1066787197 /nfs/dbraw/zinc/78/71/97/1066787197.db2.gz UWTSYHWHVYJDBZ-NRFANRHFSA-N 0 0 456.970 4.583 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3F)n2Cc2cccc(Br)n2)cs1 ZINC001492665512 1066787358 /nfs/dbraw/zinc/78/73/58/1066787358.db2.gz LKUCLAUSFDEVTA-UHFFFAOYSA-N 0 0 487.402 4.615 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(Br)ccc1O ZINC001447277836 1066787270 /nfs/dbraw/zinc/78/72/70/1066787270.db2.gz NYOBPFIZTJUONZ-JOCHJYFZSA-N 0 0 455.352 4.630 20 0 JJADRN O=C(Nc1cc(Br)ccc1O)c1ccc(I)c(Cl)c1 ZINC001447277857 1066787429 /nfs/dbraw/zinc/78/74/29/1066787429.db2.gz OHDXVXKACZGSSW-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cc(Br)ccc2O)c2ccccc2)cc1 ZINC001447279928 1066787567 /nfs/dbraw/zinc/78/75/67/1066787567.db2.gz WOVDHWDEVCUKAN-IBGZPJMESA-N 0 0 453.336 4.963 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@H]2CCCOC2)cs1 ZINC001492665851 1066787757 /nfs/dbraw/zinc/78/77/57/1066787757.db2.gz WFDQSOSHXVYIIJ-INIZCTEOSA-N 0 0 465.545 4.716 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CCC[C@@H](O)C2)cs1 ZINC001492665664 1066787838 /nfs/dbraw/zinc/78/78/38/1066787838.db2.gz QPGGYEYSUIRNPV-YLJYHZDGSA-N 0 0 490.471 4.584 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)C(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC001447280990 1066788017 /nfs/dbraw/zinc/78/80/17/1066788017.db2.gz BPRPESKUJXROMH-UHFFFAOYSA-N 0 0 459.768 4.572 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001492666095 1066789290 /nfs/dbraw/zinc/78/92/90/1066789290.db2.gz ZYSAPGWPRSZWSZ-UHFFFAOYSA-N 0 0 467.517 4.936 20 0 JJADRN Cc1nnc(CCCn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2Cl)s1 ZINC001492666093 1066789534 /nfs/dbraw/zinc/78/95/34/1066789534.db2.gz ZXXRLQOVONSBMS-UHFFFAOYSA-N 0 0 474.059 4.716 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)cc1-c1ccccc1 ZINC001447303192 1066789743 /nfs/dbraw/zinc/78/97/43/1066789743.db2.gz LUZZAXCRLYGIIQ-UHFFFAOYSA-N 0 0 452.514 4.726 20 0 JJADRN COC[C@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccc(C)o1 ZINC001457207803 1066790403 /nfs/dbraw/zinc/79/04/03/1066790403.db2.gz LBNCZWRQWQJTCY-KSSFIOAISA-N 0 0 455.336 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@@H]2CCC[C@H](O)C2)cs1 ZINC001492666224 1066790492 /nfs/dbraw/zinc/79/04/92/1066790492.db2.gz LOTIEYJOIUMPPW-PBHICJAKSA-N 0 0 496.500 4.645 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457208553 1066790763 /nfs/dbraw/zinc/79/07/63/1066790763.db2.gz PWJSZUMJDVFIFY-CZUORRHYSA-N 0 0 451.361 4.961 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001457208528 1066790790 /nfs/dbraw/zinc/79/07/90/1066790790.db2.gz PSQBOPFZLZIJMG-QAPCUYQASA-N 0 0 454.995 4.903 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)c2=O)n1 ZINC001457208817 1066790810 /nfs/dbraw/zinc/79/08/10/1066790810.db2.gz NLDNASFKWKKKHD-LJQANCHMSA-N 0 0 456.546 4.580 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)[C@H]1CNC(=O)OC(C)(C)C ZINC001457209169 1066790835 /nfs/dbraw/zinc/79/08/35/1066790835.db2.gz RZZKSCWIWIOIOL-SPUZQDLCSA-N 0 0 456.505 4.841 20 0 JJADRN CC[C@@H](C)c1ccc(-c2cc(C(=O)NCC3CCS(=O)(=O)CC3)c3ccccc3n2)cc1 ZINC001447317161 1066790853 /nfs/dbraw/zinc/79/08/53/1066790853.db2.gz YTVYEACUABOXEV-GOSISDBHSA-N 0 0 450.604 4.970 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC001447315802 1066791147 /nfs/dbraw/zinc/79/11/47/1066791147.db2.gz PSDTWNXERPIUNX-BHDDXSALSA-N 0 0 451.485 4.648 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(OC)c(OC)c4)C3)sc2C)cc1 ZINC001457210360 1066791234 /nfs/dbraw/zinc/79/12/34/1066791234.db2.gz DTCPXJMQIISMQL-HSZRJFAPSA-N 0 0 453.560 4.963 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](C)[C@H]3CNC(=O)OC(C)(C)C)s2)cc1 ZINC001457209524 1066791318 /nfs/dbraw/zinc/79/13/18/1066791318.db2.gz UGSWHQWSRWDYRK-DNVCBOLYSA-N 0 0 459.612 4.893 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCO[C@H](c4ccc(OC)c(OC)c4)C3)sc2C)cc1 ZINC001457210366 1066791334 /nfs/dbraw/zinc/79/13/34/1066791334.db2.gz DTCPXJMQIISMQL-QHCPKHFHSA-N 0 0 453.560 4.963 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cccc4cccc(Br)c43)CCO2)cc1OC ZINC001457210093 1066791343 /nfs/dbraw/zinc/79/13/43/1066791343.db2.gz CMAMKZVSNJXONL-NRFANRHFSA-N 0 0 456.336 4.833 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)Oc1cccc(F)c1 ZINC001545994475 1066791483 /nfs/dbraw/zinc/79/14/83/1066791483.db2.gz ABPUMPVWJMMCCX-GGAORHGYSA-N 0 0 484.620 4.658 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001447319522 1066791539 /nfs/dbraw/zinc/79/15/39/1066791539.db2.gz IJXHNRAPLBTXBU-UHFFFAOYSA-N 0 0 456.542 4.736 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447319108 1066791568 /nfs/dbraw/zinc/79/15/68/1066791568.db2.gz JANVMXCIXRTGMG-UHFFFAOYSA-N 0 0 452.769 4.835 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)s1 ZINC001457212904 1066792175 /nfs/dbraw/zinc/79/21/75/1066792175.db2.gz KPLTXLFDTUVINY-VQIMIIECSA-N 0 0 450.626 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCOC[C@H]2C)cs1 ZINC001492666577 1066792371 /nfs/dbraw/zinc/79/23/71/1066792371.db2.gz ZCERGUIDXYTHJG-UKRRQHHQSA-N 0 0 452.049 4.658 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CCO2)cc1OC ZINC001457216247 1066792421 /nfs/dbraw/zinc/79/24/21/1066792421.db2.gz XEWXPRXBBNNBLC-PGNDWZGLSA-N 0 0 455.860 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC001447325560 1066792886 /nfs/dbraw/zinc/79/28/86/1066792886.db2.gz GYDZIJXTPKSNJS-UUOWRZLLSA-N 0 0 451.007 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC001447325555 1066792954 /nfs/dbraw/zinc/79/29/54/1066792954.db2.gz GYDZIJXTPKSNJS-HOYKHHGWSA-N 0 0 451.007 4.995 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492667344 1066793437 /nfs/dbraw/zinc/79/34/37/1066793437.db2.gz CPMJVIZOHOVDMC-INIZCTEOSA-N 0 0 476.046 4.618 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001457222547 1066793500 /nfs/dbraw/zinc/79/35/00/1066793500.db2.gz IFIQDUCRUSHVAN-SDLDRHLBSA-N 0 0 454.876 4.698 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCc2c(C)cccc2C)cs1 ZINC001492667203 1066793662 /nfs/dbraw/zinc/79/36/62/1066793662.db2.gz XYEUWCJOVFRSKS-UHFFFAOYSA-N 0 0 470.046 4.517 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492667239 1066793670 /nfs/dbraw/zinc/79/36/70/1066793670.db2.gz ZEJHULLPJFRRKN-GOSISDBHSA-N 0 0 486.642 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CCC2CC(OC(C)(C)C)C2)cs1 ZINC001492666768 1066793899 /nfs/dbraw/zinc/79/38/99/1066793899.db2.gz HBXCAPJSKXEKIN-UHFFFAOYSA-N 0 0 460.673 4.711 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492666780 1066793938 /nfs/dbraw/zinc/79/39/38/1066793938.db2.gz HMPYQODSQOUTTI-OXQOHEQNSA-N 0 0 486.642 4.509 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)ccn1 ZINC001447329402 1066794148 /nfs/dbraw/zinc/79/41/48/1066794148.db2.gz YIHHYJVGFYODFU-QGZVFWFLSA-N 0 0 459.974 4.691 20 0 JJADRN CC[C@@H]1CN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC)CN1C(C)=O ZINC001457223507 1066794163 /nfs/dbraw/zinc/79/41/63/1066794163.db2.gz ADBAZYWULXQMCD-IKSUFZCESA-N 0 0 450.423 4.985 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492667646 1066794338 /nfs/dbraw/zinc/79/43/38/1066794338.db2.gz LDECWMOGBNABKH-LJQANCHMSA-N 0 0 464.680 4.665 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447332759 1066794563 /nfs/dbraw/zinc/79/45/63/1066794563.db2.gz PEIOQXCLYBGQDK-RXVVDRJESA-N 0 0 451.567 4.704 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447332762 1066794616 /nfs/dbraw/zinc/79/46/16/1066794616.db2.gz PEIOQXCLYBGQDK-WIYYLYMNSA-N 0 0 451.567 4.704 20 0 JJADRN COc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccn2)cc1I ZINC001457226200 1066794645 /nfs/dbraw/zinc/79/46/45/1066794645.db2.gz FZKBBYWHCQUBSJ-UHFFFAOYSA-N 0 0 458.299 4.732 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447333530 1066794990 /nfs/dbraw/zinc/79/49/90/1066794990.db2.gz QRXLDTQUTYSXHR-HKUYNNGSSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCC3)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492667935 1066794958 /nfs/dbraw/zinc/79/49/58/1066794958.db2.gz TXVFXFZFDDFIHC-UHFFFAOYSA-N 0 0 454.644 4.881 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001447333460 1066795007 /nfs/dbraw/zinc/79/50/07/1066795007.db2.gz HQXHLDWQGXIDIV-SZNDQCEHSA-N 0 0 459.974 4.756 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447333531 1066795025 /nfs/dbraw/zinc/79/50/25/1066795025.db2.gz QRXLDTQUTYSXHR-IEBWSBKVSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC001492668143 1066795321 /nfs/dbraw/zinc/79/53/21/1066795321.db2.gz ZMPHUCNSYYDHOJ-UHFFFAOYSA-N 0 0 484.645 4.851 20 0 JJADRN C[C@@H](NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)c1cc(Cl)ccc1F ZINC001447335080 1066795333 /nfs/dbraw/zinc/79/53/33/1066795333.db2.gz QTRNHOMKRFKLGE-CMJOXMDJSA-N 0 0 454.970 4.589 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001447335187 1066795416 /nfs/dbraw/zinc/79/54/16/1066795416.db2.gz RSNDMKBPNYQDGC-CQSZACIVSA-N 0 0 456.180 4.837 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccn3)n2Cc2nc(C(C)C)cs2)cs1 ZINC001492668629 1066795504 /nfs/dbraw/zinc/79/55/04/1066795504.db2.gz RZWQTGFPSNVFJR-UHFFFAOYSA-N 0 0 467.668 4.726 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2Cc2ccccc2OCC(C)C)cs1 ZINC001492668043 1066795523 /nfs/dbraw/zinc/79/55/23/1066795523.db2.gz XCVKYCITHOIEGV-UHFFFAOYSA-N 0 0 469.655 4.580 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492668197 1066795532 /nfs/dbraw/zinc/79/55/32/1066795532.db2.gz BNHSCKMASRIYRM-UHFFFAOYSA-N 0 0 451.490 4.854 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)cs1 ZINC001492668299 1066795800 /nfs/dbraw/zinc/79/58/00/1066795800.db2.gz FWNPWLROSYHREQ-HSZRJFAPSA-N 0 0 488.082 4.935 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)CCC(C)C)CCO1 ZINC001546089056 1066795913 /nfs/dbraw/zinc/79/59/13/1066795913.db2.gz GVDHAISCBOJNIS-XZOQPEGZSA-N 0 0 479.463 4.900 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1F ZINC001457233234 1066795928 /nfs/dbraw/zinc/79/59/28/1066795928.db2.gz OQDYYELJNPPYGA-KRWDZBQOSA-N 0 0 450.348 4.851 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492668392 1066795936 /nfs/dbraw/zinc/79/59/36/1066795936.db2.gz JBSNABYACDTTMQ-MAUKXSAKSA-N 0 0 459.582 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2CC2(c3ccc(F)cc3)CC2)cs1 ZINC001492668486 1066796450 /nfs/dbraw/zinc/79/64/50/1066796450.db2.gz MTXXLISWKDINCR-UHFFFAOYSA-N 0 0 453.509 4.893 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C ZINC001457236866 1066796598 /nfs/dbraw/zinc/79/65/98/1066796598.db2.gz ZUWSQQRNQWWUPQ-RBUKOAKNSA-N 0 0 451.567 4.506 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492668777 1066796810 /nfs/dbraw/zinc/79/68/10/1066796810.db2.gz XFFKFPOPRLPOMW-UHFFFAOYSA-N 0 0 475.487 4.715 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3c3ccccc3)cc2)cc1 ZINC001447349418 1066796978 /nfs/dbraw/zinc/79/69/78/1066796978.db2.gz XEZFNVNZXXUIGK-DEOSSOPVSA-N 0 0 450.560 4.863 20 0 JJADRN Cc1ccc(N(CCC(=O)N2CCCc3c(F)cccc32)S(=O)(=O)c2ccccc2)cc1 ZINC001457240072 1066797277 /nfs/dbraw/zinc/79/72/77/1066797277.db2.gz REMMZTGZZYYYJO-UHFFFAOYSA-N 0 0 452.551 4.699 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001492669092 1066797291 /nfs/dbraw/zinc/79/72/91/1066797291.db2.gz IZEVHSWDYMATPP-UHFFFAOYSA-N 0 0 469.586 4.936 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3C)n2C[C@@]2(O)CCCC2(C)C)cs1 ZINC001492669088 1066797300 /nfs/dbraw/zinc/79/73/00/1066797300.db2.gz IWZDPUPZNJDIBA-SANMLTNESA-N 0 0 483.682 4.789 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(F)c(Cl)c2)cs1 ZINC001492668909 1066797446 /nfs/dbraw/zinc/79/74/46/1066797446.db2.gz BSZKEEYOEZJSPT-UHFFFAOYSA-N 0 0 451.999 4.726 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001457245027 1066797743 /nfs/dbraw/zinc/79/77/43/1066797743.db2.gz ICBLFLCUQMUYJO-HKBQPEDESA-N 0 0 455.408 4.519 20 0 JJADRN Cc1ncc(Cn2c(Cc3csc(C)n3)nnc2N(C)CCOc2ccccc2Cl)s1 ZINC001492669431 1066797636 /nfs/dbraw/zinc/79/76/36/1066797636.db2.gz VHPCVXYMDWWVLN-UHFFFAOYSA-N 0 0 475.043 4.616 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)NC[C@@H](O)c3ccc(-c4ccccc4)cc3)c(=O)oc2c1 ZINC001447359322 1066798009 /nfs/dbraw/zinc/79/80/09/1066798009.db2.gz GLAKFAHYNVKHRU-RUZDIDTESA-N 0 0 457.526 4.559 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001447359966 1066798048 /nfs/dbraw/zinc/79/80/48/1066798048.db2.gz IUYKUBCMEXOYJI-OAQYLSRUSA-N 0 0 453.329 4.705 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)ccc2C)c(C)c1 ZINC001457248233 1066798211 /nfs/dbraw/zinc/79/82/11/1066798211.db2.gz XHMKASWNRMMZQR-UHFFFAOYSA-N 0 0 454.596 4.994 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492669644 1066798594 /nfs/dbraw/zinc/79/85/94/1066798594.db2.gz FPODQZPAHNPYDY-CRAIPNDOSA-N 0 0 457.566 4.669 20 0 JJADRN Cc1nc(Cc2nnc(N(CC3CC3)CC3CCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492669852 1066798770 /nfs/dbraw/zinc/79/87/70/1066798770.db2.gz JICZPNSIGXUPMD-UHFFFAOYSA-N 0 0 488.702 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2Cc2cscc2C(F)(F)F)cs1 ZINC001492669868 1066798785 /nfs/dbraw/zinc/79/87/85/1066798785.db2.gz JUINORIGAVLGDR-UHFFFAOYSA-N 0 0 471.574 4.504 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001447365405 1066799207 /nfs/dbraw/zinc/79/92/07/1066799207.db2.gz HCYXDPRWYKSHLV-QMMLZNLJSA-N 0 0 458.624 4.612 20 0 JJADRN COc1cccc(C(NC(=O)Cc2ccc(OC)c(OC(F)F)c2)c2cccc(OC)c2)c1 ZINC001457268492 1066800155 /nfs/dbraw/zinc/80/01/55/1066800155.db2.gz MHMDCLIHIPZOOM-UHFFFAOYSA-N 0 0 457.473 4.762 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccc2C)ccn1 ZINC001457268599 1066800301 /nfs/dbraw/zinc/80/03/01/1066800301.db2.gz NEVIBYAYZLYGHM-UHFFFAOYSA-N 0 0 457.534 4.626 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001447369051 1066800330 /nfs/dbraw/zinc/80/03/30/1066800330.db2.gz WGFHNBOEMPFDIZ-QGZVFWFLSA-N 0 0 455.462 4.585 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCc2nccc(C(F)(F)F)n2)cs1 ZINC001492670755 1066800610 /nfs/dbraw/zinc/80/06/10/1066800610.db2.gz JXCTXZKAOJRIED-CQSZACIVSA-N 0 0 479.576 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccc(Cl)s2)cs1 ZINC001492670775 1066800756 /nfs/dbraw/zinc/80/07/56/1066800756.db2.gz KEPCTHLMFYMLCS-IINYFYTJSA-N 0 0 477.965 4.553 20 0 JJADRN CSc1cc(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br ZINC001457270095 1066800732 /nfs/dbraw/zinc/80/07/32/1066800732.db2.gz IQGIHYAXGPJZGI-UHFFFAOYSA-N 0 0 457.434 4.890 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)C1(C)C ZINC001447370701 1066800813 /nfs/dbraw/zinc/80/08/13/1066800813.db2.gz UKQKRBNSRSNDDE-IRLDBZIGSA-N 0 0 456.558 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](F)c2ccc(Br)cc2)cs1 ZINC001492671006 1066801208 /nfs/dbraw/zinc/80/12/08/1066801208.db2.gz OIPNLUDFTOEALH-BIENJYKASA-N 0 0 494.434 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2ccccc2OC(F)F)cs1 ZINC001492670988 1066801369 /nfs/dbraw/zinc/80/13/69/1066801369.db2.gz ODOCTAQQWDCMGX-UHFFFAOYSA-N 0 0 477.581 4.677 20 0 JJADRN CCC1(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)CCN(C(=O)c2ccccc2)CC1 ZINC001457275520 1066801446 /nfs/dbraw/zinc/80/14/46/1066801446.db2.gz HUXVGKXNNYWYBY-UHFFFAOYSA-N 0 0 459.512 4.735 20 0 JJADRN CCCc1c(NC(=O)CCc2ccc(OC)c(Br)c2)cnn1-c1cc(C)ccn1 ZINC001447383117 1066801979 /nfs/dbraw/zinc/80/19/79/1066801979.db2.gz WHVGRGODNRJZEP-UHFFFAOYSA-N 0 0 457.372 4.871 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545995225 1066802014 /nfs/dbraw/zinc/80/20/14/1066802014.db2.gz OJMTVRGTOMUDPW-UXHICEINSA-N 0 0 475.609 4.577 20 0 JJADRN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CSCC(=O)N(C)C1CCCCC1 ZINC001447382212 1066802141 /nfs/dbraw/zinc/80/21/41/1066802141.db2.gz WAIQUHKJQCGSHP-FQEVSTJZSA-N 0 0 457.684 4.869 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cs1 ZINC001447390109 1066802590 /nfs/dbraw/zinc/80/25/90/1066802590.db2.gz CWSDJZWJROSABA-INIZCTEOSA-N 0 0 454.365 4.545 20 0 JJADRN C[C@](O)(C1CCN(C(=O)CCCSc2ccc(Br)cc2)CC1)C(F)(F)F ZINC001447390623 1066802621 /nfs/dbraw/zinc/80/26/21/1066802621.db2.gz FJWLGYCKXOKZCB-KRWDZBQOSA-N 0 0 454.352 4.873 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)c2cc(I)ccc2O)cc1Cl ZINC001447389927 1066802815 /nfs/dbraw/zinc/80/28/15/1066802815.db2.gz BNQLSYCNLIOEPH-UHFFFAOYSA-N 0 0 452.075 4.955 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@@H](c4ccsc4)C3)n2CCOCCC(C)C)cs1 ZINC001492671788 1066803177 /nfs/dbraw/zinc/80/31/77/1066803177.db2.gz FNIRAJDOOOTIEG-LAUBAEHRSA-N 0 0 475.684 4.724 20 0 JJADRN CCC1(CNC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)CCCCC1 ZINC001447398588 1066803337 /nfs/dbraw/zinc/80/33/37/1066803337.db2.gz DHFKQEPZMUXRED-UHFFFAOYSA-N 0 0 454.567 4.812 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1Cl ZINC001447395949 1066803383 /nfs/dbraw/zinc/80/33/83/1066803383.db2.gz UZYHITOHPHGNNN-UHFFFAOYSA-N 0 0 459.395 4.543 20 0 JJADRN O=C(N[C@H](CO)Cc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001447398070 1066803800 /nfs/dbraw/zinc/80/38/00/1066803800.db2.gz GLQKYTUJJKTUFI-SFHVURJKSA-N 0 0 458.389 4.781 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)OCc3ccc(OC)c(SC(F)(F)F)c3)c2)o1 ZINC001457286982 1066803963 /nfs/dbraw/zinc/80/39/63/1066803963.db2.gz AELYAEGGOKNGKC-UHFFFAOYSA-N 0 0 454.426 4.861 20 0 JJADRN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC001447398122 1066804097 /nfs/dbraw/zinc/80/40/97/1066804097.db2.gz HQAGJULHZLJLEU-QFBILLFUSA-N 0 0 451.558 4.893 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)cc(Br)c2N)ccc1OC(C)C ZINC001447399499 1066804109 /nfs/dbraw/zinc/80/41/09/1066804109.db2.gz JYQWVHOESLZSOP-UHFFFAOYSA-N 0 0 458.150 4.842 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)c1 ZINC001447398543 1066804143 /nfs/dbraw/zinc/80/41/43/1066804143.db2.gz JOANCISXKGQSJU-NRFANRHFSA-N 0 0 454.636 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2CCCCC2(F)F)cs1 ZINC001492672738 1066804992 /nfs/dbraw/zinc/80/49/92/1066804992.db2.gz XKOSIZRYDRMEGZ-LJQANCHMSA-N 0 0 494.656 4.543 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2CCc2ccccc2OC(F)F)cs1 ZINC001492672743 1066805033 /nfs/dbraw/zinc/80/50/33/1066805033.db2.gz FTDVGIYMTDUJEV-GOSISDBHSA-N 0 0 461.582 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492672737 1066805058 /nfs/dbraw/zinc/80/50/58/1066805058.db2.gz FTDLPEMBEIXAQI-LWCVALJOSA-N 0 0 474.675 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@]2(C)CCCO2)cs1 ZINC001492672702 1066805083 /nfs/dbraw/zinc/80/50/83/1066805083.db2.gz FJKSBAGGJKVAGI-INIZCTEOSA-N 0 0 483.482 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C3CCC3)c2)CCN1C(=O)OC(C)(C)C ZINC001457291759 1066805121 /nfs/dbraw/zinc/80/51/21/1066805121.db2.gz IBSGJYXBFGMSOF-UHFFFAOYSA-N 0 0 459.587 4.799 20 0 JJADRN COc1cc(NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)ccc1OC(C)C ZINC001447409038 1066805164 /nfs/dbraw/zinc/80/51/64/1066805164.db2.gz YFTBDLWQNWCBSI-UHFFFAOYSA-N 0 0 454.479 4.597 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)Cn2nc(C)c3c2nc(C(C)C)cc3C(F)(F)F)cc1F ZINC001457292200 1066805174 /nfs/dbraw/zinc/80/51/74/1066805174.db2.gz KBBHYEWIWCKRPS-GFCCVEGCSA-N 0 0 452.452 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492673180 1066805505 /nfs/dbraw/zinc/80/55/05/1066805505.db2.gz NRGSCSFXJPKUJA-NQIIRXRSSA-N 0 0 496.681 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001492673070 1066805516 /nfs/dbraw/zinc/80/55/16/1066805516.db2.gz LHWRBJVNPCCHST-UHFFFAOYSA-N 0 0 474.675 4.660 20 0 JJADRN COCCOc1ccccc1COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC001457295472 1066805603 /nfs/dbraw/zinc/80/56/03/1066805603.db2.gz UUMUUPNWXMFVBB-UHFFFAOYSA-N 0 0 450.516 4.897 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC001447413339 1066805740 /nfs/dbraw/zinc/80/57/40/1066805740.db2.gz RTCGCUPWQPETPR-LEWJYISDSA-N 0 0 467.614 4.617 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673361 1066806233 /nfs/dbraw/zinc/80/62/33/1066806233.db2.gz RLJGIZHMDXHNRH-UYAOXDASSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673358 1066806280 /nfs/dbraw/zinc/80/62/80/1066806280.db2.gz RLJGIZHMDXHNRH-AZUAARDMSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673459 1066806827 /nfs/dbraw/zinc/80/68/27/1066806827.db2.gz UKKLKBLTCXVCHC-QKLQHJQFSA-N 0 0 474.675 4.516 20 0 JJADRN CSc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1Br ZINC001447422476 1066806902 /nfs/dbraw/zinc/80/69/02/1066806902.db2.gz ZGUSDGMMFNNKSR-HXUWFJFHSA-N 0 0 455.418 4.644 20 0 JJADRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC001457300947 1066806956 /nfs/dbraw/zinc/80/69/56/1066806956.db2.gz YTKGFUPNVANDFC-CVEARBPZSA-N 0 0 459.377 4.875 20 0 JJADRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001457299213 1066807028 /nfs/dbraw/zinc/80/70/28/1066807028.db2.gz TULDWJTWVFSEFT-UHFFFAOYSA-N 0 0 455.352 4.833 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c(OC2CCCC2)c1 ZINC001457300363 1066807089 /nfs/dbraw/zinc/80/70/89/1066807089.db2.gz RHKWCQFMFKCIKK-UHFFFAOYSA-N 0 0 456.436 4.621 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c32)cn1C ZINC001457300013 1066807105 /nfs/dbraw/zinc/80/71/05/1066807105.db2.gz RSCHXRWGGXUFLQ-UHFFFAOYSA-N 0 0 458.396 4.594 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](Cc4ccc(F)cc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492673737 1066807370 /nfs/dbraw/zinc/80/73/70/1066807370.db2.gz ARZHLSFRVHTJJF-KRWDZBQOSA-N 0 0 483.535 4.768 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492673652 1066807496 /nfs/dbraw/zinc/80/74/96/1066807496.db2.gz YUXMBGWIGZHWRM-PKOBYXMFSA-N 0 0 488.702 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492673954 1066807960 /nfs/dbraw/zinc/80/79/60/1066807960.db2.gz GXHSSGRZXKRZFI-CABCVRRESA-N 0 0 465.545 4.858 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674071 1066808059 /nfs/dbraw/zinc/80/80/59/1066808059.db2.gz JMHKDZCEPALDNF-JENIJYKNSA-N 0 0 474.675 4.516 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC001447430617 1066808669 /nfs/dbraw/zinc/80/86/69/1066808669.db2.gz BDQSRNBCMUSJSN-JXFKEZNVSA-N 0 0 450.362 4.930 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674114 1066808671 /nfs/dbraw/zinc/80/86/71/1066808671.db2.gz KZMRLYOVNXHWAZ-LNLFQRSKSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492674490 1066809077 /nfs/dbraw/zinc/80/90/77/1066809077.db2.gz CVAYJJYKVKVSJK-APWZRJJASA-N 0 0 498.619 4.668 20 0 JJADRN C[C@]1(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC001447437571 1066809212 /nfs/dbraw/zinc/80/92/12/1066809212.db2.gz PUCVRZCXCOGCPF-NFBKMPQASA-N 0 0 457.368 4.636 20 0 JJADRN CCc1c(C(=O)Nc2ccc(F)cc2I)cnn1-c1ccc(F)cc1 ZINC001457317537 1066809180 /nfs/dbraw/zinc/80/91/80/1066809180.db2.gz VMNFDPYQQDAJEL-UHFFFAOYSA-N 0 0 453.230 4.570 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2)c1 ZINC001457317677 1066809233 /nfs/dbraw/zinc/80/92/33/1066809233.db2.gz BUDRHTPLONYEKZ-SFHVURJKSA-N 0 0 455.436 4.736 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC001447440894 1066809687 /nfs/dbraw/zinc/80/96/87/1066809687.db2.gz BRRHJIZWTFZECG-GOSISDBHSA-N 0 0 456.587 4.671 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457318708 1066809865 /nfs/dbraw/zinc/80/98/65/1066809865.db2.gz RUGSCENXJSYOLP-HNNXBMFYSA-N 0 0 455.356 4.580 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001447447804 1066810288 /nfs/dbraw/zinc/81/02/88/1066810288.db2.gz RGKDSQNXTATMNR-HMFYCAOWSA-N 0 0 454.567 4.879 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)cs1 ZINC001492675366 1066810823 /nfs/dbraw/zinc/81/08/23/1066810823.db2.gz VVZYAYNNWJPSRF-DFQSSKMNSA-N 0 0 488.702 4.763 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001447452682 1066811070 /nfs/dbraw/zinc/81/10/70/1066811070.db2.gz YQXHXGWEDVETQM-SFHVURJKSA-N 0 0 458.628 4.963 20 0 JJADRN CC(C)c1n[nH]c(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c1Br ZINC001447455512 1066811479 /nfs/dbraw/zinc/81/14/79/1066811479.db2.gz UMMYYUJCYRRSBC-UHFFFAOYSA-N 0 0 453.178 4.988 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCSc2ccccc2)cs1 ZINC001492675882 1066811556 /nfs/dbraw/zinc/81/15/56/1066811556.db2.gz NYVKVFDUULTZAK-FQEVSTJZSA-N 0 0 457.669 4.677 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc2occc(=O)c2c1)NC(=O)OC(C)(C)C ZINC001457333444 1066811892 /nfs/dbraw/zinc/81/18/92/1066811892.db2.gz JOBMWXKWUAPSLV-LJQANCHMSA-N 0 0 452.507 4.786 20 0 JJADRN C[C@H](C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)n1ccc(C(F)(F)F)n1 ZINC001447462361 1066812066 /nfs/dbraw/zinc/81/20/66/1066812066.db2.gz OEEVUASACVOOGN-CJNGLKHVSA-N 0 0 451.424 4.796 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)cc1 ZINC001447461064 1066812092 /nfs/dbraw/zinc/81/20/92/1066812092.db2.gz KZPBPLPDDPERGC-LJQANCHMSA-N 0 0 452.576 4.728 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2CCCc2ccnc(C(C)(C)C)n2)cs1 ZINC001492676160 1066812011 /nfs/dbraw/zinc/81/20/11/1066812011.db2.gz WUOXNKJMRHGPOY-UHFFFAOYSA-N 0 0 497.713 4.748 20 0 JJADRN O=C(Nc1cccc2ccc(O)cc21)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001545996038 1066812152 /nfs/dbraw/zinc/81/21/52/1066812152.db2.gz GFDUSSWLZSDTNY-UHFFFAOYSA-N 0 0 453.336 4.799 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492676282 1066812617 /nfs/dbraw/zinc/81/26/17/1066812617.db2.gz AVMPKFOFIHIGTJ-CYBMUJFWSA-N 0 0 485.605 4.610 20 0 JJADRN O=C(NCCCc1ccc(Cl)cc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001457341221 1066812954 /nfs/dbraw/zinc/81/29/54/1066812954.db2.gz OALKESCCTMIGFY-UHFFFAOYSA-N 0 0 452.359 4.923 20 0 JJADRN CC[C@@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)Oc1ccccc1C(F)(F)F ZINC001457341123 1066813014 /nfs/dbraw/zinc/81/30/14/1066813014.db2.gz UKNRCGDVXCKLBY-FQEVSTJZSA-N 0 0 458.480 4.952 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)cs1 ZINC001492675552 1066813258 /nfs/dbraw/zinc/81/32/58/1066813258.db2.gz BWPPMZJRYNGFJB-TVRKMHQQSA-N 0 0 474.675 4.734 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)CCC1 ZINC001447476775 1066813438 /nfs/dbraw/zinc/81/34/38/1066813438.db2.gz IABDQCWQFVVSOJ-UHFFFAOYSA-N 0 0 452.595 4.956 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[C@H](C)O2 ZINC001457342677 1066813501 /nfs/dbraw/zinc/81/35/01/1066813501.db2.gz IFCFRYDMZCHHJT-LHSJRXKWSA-N 0 0 453.377 4.519 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492676510 1066813719 /nfs/dbraw/zinc/81/37/19/1066813719.db2.gz HLYHDVNUJSBBJL-UWVAXJGDSA-N 0 0 467.630 4.957 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC4(C3)CCCCC4)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492676497 1066813793 /nfs/dbraw/zinc/81/37/93/1066813793.db2.gz HHMWRQCKQOCYTR-UHFFFAOYSA-N 0 0 474.675 4.709 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CCOCC1 ZINC001457348027 1066814155 /nfs/dbraw/zinc/81/41/55/1066814155.db2.gz JMUDLWITHJMHEH-RBUKOAKNSA-N 0 0 453.583 4.636 20 0 JJADRN CC[C@@H](CNC(=O)c1cn(C)nc1-c1cc(F)ccc1F)Oc1ccccc1C(F)(F)F ZINC001457345157 1066814165 /nfs/dbraw/zinc/81/41/65/1066814165.db2.gz RCBVFTMEOPZJNO-AWEZNQCLSA-N 0 0 453.411 4.972 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC4(CCCC4)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492676733 1066814341 /nfs/dbraw/zinc/81/43/41/1066814341.db2.gz NHGBTBQPKPHMBX-HXUWFJFHSA-N 0 0 488.702 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCc2cccc(F)c2F)cs1 ZINC001492676752 1066814376 /nfs/dbraw/zinc/81/43/76/1066814376.db2.gz NXQNSJBEQNDJPB-OAHLLOKOSA-N 0 0 471.499 4.933 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC001457349422 1066814578 /nfs/dbraw/zinc/81/45/78/1066814578.db2.gz YEUQLZBRCBPFOD-AWEZNQCLSA-N 0 0 456.905 4.719 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N(Cc1cccs1)CC(F)(F)F ZINC001457354038 1066814682 /nfs/dbraw/zinc/81/46/82/1066814682.db2.gz RMAUDGNTOCCEFM-LLVKDONJSA-N 0 0 451.297 4.999 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)OC ZINC001545996714 1066815415 /nfs/dbraw/zinc/81/54/15/1066815415.db2.gz CIPXNZVNVBUWRQ-QHCPKHFHSA-N 0 0 488.076 4.566 20 0 JJADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001457356347 1066815350 /nfs/dbraw/zinc/81/53/50/1066815350.db2.gz FWMZVCAZNBWJKM-ALKREAHSSA-N 0 0 453.396 4.771 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC001457354347 1066815461 /nfs/dbraw/zinc/81/54/61/1066815461.db2.gz XGHHNSQJRQNXDR-UHFFFAOYSA-N 0 0 454.596 4.849 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492677005 1066815501 /nfs/dbraw/zinc/81/55/01/1066815501.db2.gz TWQDFKKTVDETSW-PKOBYXMFSA-N 0 0 476.691 4.762 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001447510518 1066816758 /nfs/dbraw/zinc/81/67/58/1066816758.db2.gz MYZFEWVFIBSKGQ-VQIMIIECSA-N 0 0 455.382 4.539 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC3(C)C)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492677978 1066817064 /nfs/dbraw/zinc/81/70/64/1066817064.db2.gz PBCDLMQCJTXNPZ-UHFFFAOYSA-N 0 0 451.518 4.960 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)no1 ZINC001457363657 1066817120 /nfs/dbraw/zinc/81/71/20/1066817120.db2.gz MYTISPHZFWNXOW-SSOJOUAXSA-N 0 0 455.555 4.507 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)no1 ZINC001457363653 1066817205 /nfs/dbraw/zinc/81/72/05/1066817205.db2.gz MYTISPHZFWNXOW-NSYGIPOTSA-N 0 0 455.555 4.507 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)NC[Si](C)(C)c3ccccc3)cc2s1 ZINC001447513643 1066817377 /nfs/dbraw/zinc/81/73/77/1066817377.db2.gz LIRYJPVTIJESDS-UHFFFAOYSA-N 0 0 453.665 4.995 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492678253 1066817823 /nfs/dbraw/zinc/81/78/23/1066817823.db2.gz VAUCTSZPZNTVLN-LBPRGKRZSA-N 0 0 456.563 4.784 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457369283 1066818323 /nfs/dbraw/zinc/81/83/23/1066818323.db2.gz VABZDCUNIBHXMR-NXHTTZLHSA-N 0 0 454.970 4.790 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC4(CC4)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492678441 1066818367 /nfs/dbraw/zinc/81/83/67/1066818367.db2.gz XPPMXQJFWSQCOL-LJQANCHMSA-N 0 0 474.675 4.564 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)c1ccc(OCC(F)(F)F)cn1)CC2 ZINC001457369922 1066818404 /nfs/dbraw/zinc/81/84/04/1066818404.db2.gz LZUSEDPTDZXEDX-UHFFFAOYSA-N 0 0 451.445 4.568 20 0 JJADRN O=C(Nc1cc(Cl)ccc1NCC1CCCCC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001447523066 1066818477 /nfs/dbraw/zinc/81/84/77/1066818477.db2.gz KYBARCCWBCQZDN-UHFFFAOYSA-N 0 0 454.958 4.636 20 0 JJADRN Cc1cc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)nn1-c1ccc(F)cc1 ZINC001457371869 1066818702 /nfs/dbraw/zinc/81/87/02/1066818702.db2.gz OJOTUUGPLYOSPI-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN COc1cc(CNC(=O)Cn2c(C)c(Br)c3ccccc32)cc(Cl)c1OC ZINC001457373204 1066818812 /nfs/dbraw/zinc/81/88/12/1066818812.db2.gz COQXVBMCGKPSGA-UHFFFAOYSA-N 0 0 451.748 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492678643 1066818846 /nfs/dbraw/zinc/81/88/46/1066818846.db2.gz LIIAHILVINDFOE-CQSZACIVSA-N 0 0 450.534 4.527 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 ZINC001447527444 1066819055 /nfs/dbraw/zinc/81/90/55/1066819055.db2.gz RYUINGZTVZRLSF-SFHVURJKSA-N 0 0 458.427 4.735 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001457379548 1066819368 /nfs/dbraw/zinc/81/93/68/1066819368.db2.gz NKYVBFXRFXUBEI-LJQANCHMSA-N 0 0 459.859 4.760 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492678726 1066819440 /nfs/dbraw/zinc/81/94/40/1066819440.db2.gz MYSLKVLMDUSDNR-SJORKVTESA-N 0 0 462.664 4.516 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545997079 1066819755 /nfs/dbraw/zinc/81/97/55/1066819755.db2.gz JIRNTOXASYLELY-CEMLEFRQSA-N 0 0 453.631 4.859 20 0 JJADRN Cc1cc(-c2csc(NC(=O)CSCC(=O)N(C)C3CCCCC3)n2)c(F)cc1F ZINC001457389039 1066819929 /nfs/dbraw/zinc/81/99/29/1066819929.db2.gz RWCRFEMEFGYIKD-UHFFFAOYSA-N 0 0 453.580 4.860 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)CC1=O ZINC001457382963 1066820015 /nfs/dbraw/zinc/82/00/15/1066820015.db2.gz HKGRRBSXLZYATD-AWEZNQCLSA-N 0 0 457.502 4.705 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001447540363 1066820303 /nfs/dbraw/zinc/82/03/03/1066820303.db2.gz ZXLDKLXRMCFOKM-UHFFFAOYSA-N 0 0 451.527 4.536 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCOc2ccc(Cl)cn2)cs1 ZINC001492679003 1066820568 /nfs/dbraw/zinc/82/05/68/1066820568.db2.gz RYYSZWKPJHNQES-LJQANCHMSA-N 0 0 491.061 4.545 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492679142 1066820588 /nfs/dbraw/zinc/82/05/88/1066820588.db2.gz WAAALDVVKAWAJW-FXAWDEMLSA-N 0 0 474.675 4.660 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC001457391787 1066820762 /nfs/dbraw/zinc/82/07/62/1066820762.db2.gz XCULVPSFQOKLLZ-MRXNPFEDSA-N 0 0 456.530 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2ccc(F)cc2F)cs1 ZINC001492679245 1066821366 /nfs/dbraw/zinc/82/13/66/1066821366.db2.gz XSMCENCGUXBTAA-IBGZPJMESA-N 0 0 461.582 4.744 20 0 JJADRN Cc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cnc1Br ZINC001447557445 1066821468 /nfs/dbraw/zinc/82/14/68/1066821468.db2.gz GPGBHKUSWVKSQA-UHFFFAOYSA-N 0 0 454.162 4.599 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NOCc3ccc(F)cc3)c2)cc1 ZINC001447557462 1066821473 /nfs/dbraw/zinc/82/14/73/1066821473.db2.gz LILRVAWMHACYBI-UHFFFAOYSA-N 0 0 456.539 4.831 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NC[C@@H](C)Oc3ccccc3Br)c2)cn1 ZINC001457396480 1066821943 /nfs/dbraw/zinc/82/19/43/1066821943.db2.gz XLGDDMPJLWVFTR-QGZVFWFLSA-N 0 0 455.352 4.929 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545997272 1066821971 /nfs/dbraw/zinc/82/19/71/1066821971.db2.gz MIRPNGOJXSYNAM-PKOBYXMFSA-N 0 0 462.664 4.886 20 0 JJADRN O=C(c1ccc(NCc2ccsc2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC001447563752 1066822019 /nfs/dbraw/zinc/82/20/19/1066822019.db2.gz VMHYSTLLFZYUDG-FQEVSTJZSA-N 0 0 459.493 4.692 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCC2(C)C)cs1 ZINC001492679898 1066822015 /nfs/dbraw/zinc/82/20/15/1066822015.db2.gz UNDYKNRKTAALIV-KRWDZBQOSA-N 0 0 470.609 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCC(F)(F)C2)cs1 ZINC001492680188 1066822360 /nfs/dbraw/zinc/82/23/60/1066822360.db2.gz DEGSTSAQGKTQDV-RDJZCZTQSA-N 0 0 496.628 4.515 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4cccs4)CC3)n2CCCSCC(C)C)cs1 ZINC001492680437 1066822435 /nfs/dbraw/zinc/82/24/35/1066822435.db2.gz NNFJXDIKOPWQCF-UHFFFAOYSA-N 0 0 476.741 4.801 20 0 JJADRN CC(C)n1ncc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c1I ZINC001457399435 1066822470 /nfs/dbraw/zinc/82/24/70/1066822470.db2.gz NQFPMZCOWQDGSJ-HXUWFJFHSA-N 0 0 451.352 4.554 20 0 JJADRN CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC[C@H]1c1ccccc1 ZINC001457398873 1066822561 /nfs/dbraw/zinc/82/25/61/1066822561.db2.gz XLKYMYZICXULCJ-SQJMNOBHSA-N 0 0 454.636 4.907 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001447564396 1066822603 /nfs/dbraw/zinc/82/26/03/1066822603.db2.gz QXNRRRQTBPKLSF-OAHLLOKOSA-N 0 0 454.645 4.807 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCO[C@H](c4ccccc4)C3)n2CCCCOC(C)C)cs1 ZINC001492679993 1066822596 /nfs/dbraw/zinc/82/25/96/1066822596.db2.gz XFSDZRWRXKVGET-QHCPKHFHSA-N 0 0 469.655 4.807 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001447564981 1066822672 /nfs/dbraw/zinc/82/26/72/1066822672.db2.gz RNZFDTFWODYKTQ-GOSISDBHSA-N 0 0 454.901 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@H]2CC[C@@H](C)C2)cs1 ZINC001492680780 1066823179 /nfs/dbraw/zinc/82/31/79/1066823179.db2.gz ZIXDUPFTHOWEDD-ZHALLVOQSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(Cc4ccsc4)CC3)n2CC(C)(C)C(C)C)cs1 ZINC001492680833 1066823206 /nfs/dbraw/zinc/82/32/06/1066823206.db2.gz BDIJOSNSNKPUCE-UHFFFAOYSA-N 0 0 458.701 4.700 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCCC2(F)F)cs1 ZINC001492680765 1066823259 /nfs/dbraw/zinc/82/32/59/1066823259.db2.gz ZAHLMILSXFVIKO-KRWDZBQOSA-N 0 0 496.628 4.516 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1F ZINC001457407643 1066823705 /nfs/dbraw/zinc/82/37/05/1066823705.db2.gz PYYZESQBUWKNMR-KRWDZBQOSA-N 0 0 454.857 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001457403263 1066823758 /nfs/dbraw/zinc/82/37/58/1066823758.db2.gz AABMGJVRWWWJHJ-DSKINZAPSA-N 0 0 477.026 4.517 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H](C)Oc2ccccc2Br)n1 ZINC001457409504 1066824095 /nfs/dbraw/zinc/82/40/95/1066824095.db2.gz QRQWHCTWGOXADQ-GOSISDBHSA-N 0 0 454.368 4.852 20 0 JJADRN Cc1ccc(SCc2cccc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)c2)c(C)c1 ZINC001457409784 1066824160 /nfs/dbraw/zinc/82/41/60/1066824160.db2.gz PPUYZMSGCRUFQA-FCHUYYIVSA-N 0 0 470.635 4.553 20 0 JJADRN O=C(c1cccn(C2CC2)c1=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447576515 1066824256 /nfs/dbraw/zinc/82/42/56/1066824256.db2.gz JVGRWUWNKACLQS-QFIPXVFZSA-N 0 0 456.464 4.578 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N(Cc3cccc(C)n3)Cc3cccc(C)n3)CC2=O)cc1 ZINC001457410650 1066824858 /nfs/dbraw/zinc/82/48/58/1066824858.db2.gz SHESCMRKACDVIW-HSZRJFAPSA-N 0 0 456.590 4.628 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545997894 1066824772 /nfs/dbraw/zinc/82/47/72/1066824772.db2.gz YKJUGZZCFXUZLJ-MRXNPFEDSA-N 0 0 467.795 4.939 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545997893 1066824828 /nfs/dbraw/zinc/82/48/28/1066824828.db2.gz YKJUGZZCFXUZLJ-INIZCTEOSA-N 0 0 467.795 4.939 20 0 JJADRN O=C(N[C@H](CCO)c1ccccc1Br)c1oc2ccccc2c1Br ZINC001447579860 1066824944 /nfs/dbraw/zinc/82/49/44/1066824944.db2.gz CRBWPAZQZINQKZ-CQSZACIVSA-N 0 0 453.130 4.811 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492682707 1066825409 /nfs/dbraw/zinc/82/54/09/1066825409.db2.gz DUFZDWJLJZZSTP-OAHLLOKOSA-N 0 0 495.571 4.627 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCSCc2ccccc2)cs1 ZINC001492683569 1066825862 /nfs/dbraw/zinc/82/58/62/1066825862.db2.gz BVDZAGRFTLPHAP-UHFFFAOYSA-N 0 0 459.710 4.899 20 0 JJADRN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[C@H](COC)Cc1ccccc1 ZINC001457415287 1066826081 /nfs/dbraw/zinc/82/60/81/1066826081.db2.gz NAOMRPUZJJBQIW-YJBOKZPZSA-N 0 0 454.792 4.976 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1-c1ccc(Br)cc1 ZINC001457415485 1066826096 /nfs/dbraw/zinc/82/60/96/1066826096.db2.gz CPWHYNPQYBEEGF-UHFFFAOYSA-N 0 0 455.234 4.736 20 0 JJADRN C[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)c1ccc(F)cc1F ZINC001457417578 1066826802 /nfs/dbraw/zinc/82/68/02/1066826802.db2.gz VFBXXAVLAMZPQE-GFCCVEGCSA-N 0 0 452.242 4.851 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(OC(F)F)cc2)cs1 ZINC001492683615 1066826764 /nfs/dbraw/zinc/82/67/64/1066826764.db2.gz DEJHAPCUUFBVIY-LJQANCHMSA-N 0 0 479.622 4.861 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCOc2ccccc2C(C)C)cs1 ZINC001492683767 1066827176 /nfs/dbraw/zinc/82/71/76/1066827176.db2.gz IALSUASNIORNOC-KRWDZBQOSA-N 0 0 457.669 4.778 20 0 JJADRN Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1n[nH]c(C)c1-c1ccc(Br)cc1 ZINC001457419107 1066827417 /nfs/dbraw/zinc/82/74/17/1066827417.db2.gz YIPULBLOCGMGHB-UHFFFAOYSA-N 0 0 458.360 4.565 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnccc3-c3cccc(F)c3)cc2)CC1 ZINC001457422492 1066827891 /nfs/dbraw/zinc/82/78/91/1066827891.db2.gz XJRSWDXAYNEQEF-UHFFFAOYSA-N 0 0 453.539 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492684109 1066827917 /nfs/dbraw/zinc/82/79/17/1066827917.db2.gz RMEIIJAVJNZTDW-GBESFXJTSA-N 0 0 471.696 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2Cc2ccc(OCC(F)(F)F)cc2)cs1 ZINC001492684102 1066827991 /nfs/dbraw/zinc/82/79/91/1066827991.db2.gz RIAHDIBSPDXXAT-CQSZACIVSA-N 0 0 483.585 4.565 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC001492684107 1066828003 /nfs/dbraw/zinc/82/80/03/1066828003.db2.gz RLKBLVSNNHZGMZ-UHFFFAOYSA-N 0 0 498.722 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)C1 ZINC001447608798 1066828065 /nfs/dbraw/zinc/82/80/65/1066828065.db2.gz OHZUSAZRBKAZFU-FQEVSTJZSA-N 0 0 454.571 4.827 20 0 JJADRN COc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)nc1Br ZINC001447607682 1066828099 /nfs/dbraw/zinc/82/80/99/1066828099.db2.gz NNHUMDRKLJAAOZ-INIZCTEOSA-N 0 0 457.328 4.660 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3CCc3csc(C(C)(C)C)n3)C2)no1 ZINC001492684461 1066828530 /nfs/dbraw/zinc/82/85/30/1066828530.db2.gz ABXAMFVGCDLANJ-GOSISDBHSA-N 0 0 471.675 4.624 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCC(C)C)C2)no1 ZINC001492684787 1066828689 /nfs/dbraw/zinc/82/86/89/1066828689.db2.gz JIJKQDDPJDVJFN-IBGZPJMESA-N 0 0 456.566 4.583 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1c(C(F)F)nc2cnccn21 ZINC001457422736 1066828595 /nfs/dbraw/zinc/82/85/95/1066828595.db2.gz QTCMROOOOLPBQJ-UHFFFAOYSA-N 0 0 456.762 4.982 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC[C@](C)(O)c2ccccc2)cs1 ZINC001492684963 1066829089 /nfs/dbraw/zinc/82/90/89/1066829089.db2.gz ACYIXJXLMHIGEH-MFEFFIJZSA-N 0 0 475.609 4.659 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC001447616512 1066829167 /nfs/dbraw/zinc/82/91/67/1066829167.db2.gz ZUFDUWRKQNZDQW-UXHICEINSA-N 0 0 454.571 4.874 20 0 JJADRN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997445 1066829207 /nfs/dbraw/zinc/82/92/07/1066829207.db2.gz OSQJFNFXADEPKO-IRXDYDNUSA-N 0 0 463.573 4.687 20 0 JJADRN COC1CCC(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)CC1 ZINC001457424778 1066829278 /nfs/dbraw/zinc/82/92/78/1066829278.db2.gz CMKJQVXJZPQPES-GZNCHQMQSA-N 0 0 458.599 4.601 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC001447616514 1066829308 /nfs/dbraw/zinc/82/93/08/1066829308.db2.gz ZUFDUWRKQNZDQW-VQTJNVASSA-N 0 0 454.571 4.874 20 0 JJADRN CC(C)c1nc([C@H]2COCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)no1 ZINC001447619590 1066829850 /nfs/dbraw/zinc/82/98/50/1066829850.db2.gz UVUWWSIDERGUGI-CYBMUJFWSA-N 0 0 453.351 4.837 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001447621910 1066830207 /nfs/dbraw/zinc/83/02/07/1066830207.db2.gz PDDGRZXPEXTUIK-HXUWFJFHSA-N 0 0 452.599 4.755 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)c2nccs2)cs1 ZINC001492685909 1066830213 /nfs/dbraw/zinc/83/02/13/1066830213.db2.gz NYBOSKPRBXZPGA-MCIONIFRSA-N 0 0 452.600 4.622 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3ccc(Br)cc3)C2)no1 ZINC001492685724 1066830327 /nfs/dbraw/zinc/83/03/27/1066830327.db2.gz YKJMQMYYTSGLPT-IBGZPJMESA-N 0 0 487.446 4.632 20 0 JJADRN COC(=O)CC1(CC(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)CCCC1 ZINC001457430427 1066830703 /nfs/dbraw/zinc/83/07/03/1066830703.db2.gz RHNANPVOUKLODG-UHFFFAOYSA-N 0 0 452.526 4.871 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C ZINC001447623589 1066830849 /nfs/dbraw/zinc/83/08/49/1066830849.db2.gz UYRHKDCHDOVEGH-OAQYLSRUSA-N 0 0 450.583 4.524 20 0 JJADRN CO[C@H](C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1Br ZINC001447627460 1066830874 /nfs/dbraw/zinc/83/08/74/1066830874.db2.gz BEEPGGHPZASGQP-MSOLQXFVSA-N 0 0 458.274 4.756 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001457430103 1066830835 /nfs/dbraw/zinc/83/08/35/1066830835.db2.gz XDICQCMVLBNKHU-CYBMUJFWSA-N 0 0 451.441 4.959 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)c1-c1ccc(C)cc1 ZINC001457429826 1066830887 /nfs/dbraw/zinc/83/08/87/1066830887.db2.gz QSDITAHUNYFHRL-UHFFFAOYSA-N 0 0 454.456 4.792 20 0 JJADRN O=C(NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(-c2cccc(F)c2)s1 ZINC001457430249 1066830899 /nfs/dbraw/zinc/83/08/99/1066830899.db2.gz QUBCSHPEUDBILQ-UHFFFAOYSA-N 0 0 451.548 4.871 20 0 JJADRN O=C(NCc1nc(CNC(=O)c2ccccc2SC(F)(F)F)cs1)c1ccccc1 ZINC001457430347 1066830913 /nfs/dbraw/zinc/83/09/13/1066830913.db2.gz SDNAUPZRENDZFE-UHFFFAOYSA-N 0 0 451.495 4.615 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3ccccc3OC(F)F)C2)no1 ZINC001492686068 1066830929 /nfs/dbraw/zinc/83/09/29/1066830929.db2.gz RZEUOFIRCGXLEM-QGZVFWFLSA-N 0 0 474.556 4.570 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)n[nH]1 ZINC001492686435 1066831302 /nfs/dbraw/zinc/83/13/02/1066831302.db2.gz AYSYRMZSVMOYQY-MRXNPFEDSA-N 0 0 458.010 4.613 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](COC(C)C)C2)cs1 ZINC001492686914 1066831417 /nfs/dbraw/zinc/83/14/17/1066831417.db2.gz OONMRQXBVIWVAF-NFBKMPQASA-N 0 0 499.681 4.673 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)[C@@H](C)Sc2ccc(OC)cc2)ccn1 ZINC001457435700 1066832006 /nfs/dbraw/zinc/83/20/06/1066832006.db2.gz MWXOCQLYIBWNKX-MRXNPFEDSA-N 0 0 451.548 4.670 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cs1 ZINC001492687086 1066832049 /nfs/dbraw/zinc/83/20/49/1066832049.db2.gz AMOWRLQKTVEPMA-TXEJJXNPSA-N 0 0 485.402 4.771 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCS[C@H](C)C2)cs1 ZINC001492687149 1066832548 /nfs/dbraw/zinc/83/25/48/1066832548.db2.gz UCVRSONCIYIXCI-AEFFLSMTSA-N 0 0 457.669 4.984 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 ZINC001447632021 1066832686 /nfs/dbraw/zinc/83/26/86/1066832686.db2.gz JCCLBWWMJSQNGA-WOJBJXKFSA-N 0 0 454.876 4.526 20 0 JJADRN Cc1nn(C)cc1CNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001447631551 1066832720 /nfs/dbraw/zinc/83/27/20/1066832720.db2.gz ULGDCULHCRFUPJ-UCNVEGJOSA-N 0 0 457.640 4.755 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2)NC(=O)OC(C)(C)C ZINC001447632476 1066832732 /nfs/dbraw/zinc/83/27/32/1066832732.db2.gz XARUPICLDKSLMP-UNMCSNQZSA-N 0 0 454.567 4.794 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 ZINC001447632019 1066832738 /nfs/dbraw/zinc/83/27/38/1066832738.db2.gz JCCLBWWMJSQNGA-VQTJNVASSA-N 0 0 454.876 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1sc3cc(F)ccc3c1Cl)CCO2 ZINC001457449988 1066832965 /nfs/dbraw/zinc/83/29/65/1066832965.db2.gz OBMYMIHUHOWGHI-NRFANRHFSA-N 0 0 454.951 4.546 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CC2CC(F)C2)cs1 ZINC001492687644 1066832938 /nfs/dbraw/zinc/83/29/38/1066832938.db2.gz LTUSAIRHDGVYDF-UHFFFAOYSA-N 0 0 464.408 4.900 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCCCCCC2)n[nH]1 ZINC001492687534 1066832994 /nfs/dbraw/zinc/83/29/94/1066832994.db2.gz ILPRYKKKQKLSAT-UHFFFAOYSA-N 0 0 478.826 4.801 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447633894 1066833000 /nfs/dbraw/zinc/83/30/00/1066833000.db2.gz OOUJFRPWSLCSFU-NKKNLYITSA-N 0 0 468.516 4.665 20 0 JJADRN Cc1ccc(I)c(OC(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001457445594 1066833057 /nfs/dbraw/zinc/83/30/57/1066833057.db2.gz PLODZEOXFDGHLR-JXMROGBWSA-N 0 0 454.260 4.767 20 0 JJADRN CCCCO[C@H]1C[C@@H](NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1(C)C ZINC001457454773 1066833659 /nfs/dbraw/zinc/83/36/59/1066833659.db2.gz SOKOBKSEGXFIFE-MSOLQXFVSA-N 0 0 450.505 4.877 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cs1 ZINC001492687646 1066833890 /nfs/dbraw/zinc/83/38/90/1066833890.db2.gz LUMGJGTZUKBYON-NRFANRHFSA-N 0 0 493.475 4.685 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 ZINC001457456004 1066834118 /nfs/dbraw/zinc/83/41/18/1066834118.db2.gz CKSJNGXZKXVOMQ-OFNKIYASSA-N 0 0 457.361 4.599 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447637667 1066834378 /nfs/dbraw/zinc/83/43/78/1066834378.db2.gz ZOYSQSHJLZHWCJ-OTWHNJEPSA-N 0 0 456.505 4.689 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCOc2ccccc2)cs1 ZINC001492688093 1066834446 /nfs/dbraw/zinc/83/44/46/1066834446.db2.gz CBQZDBLIKSLBTN-UHFFFAOYSA-N 0 0 469.014 4.906 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2NCCCc2ccccc2)c1 ZINC001447645920 1066835035 /nfs/dbraw/zinc/83/50/35/1066835035.db2.gz SENWHSSOJBKJTP-UHFFFAOYSA-N 0 0 451.592 4.670 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3F)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001492689016 1066835067 /nfs/dbraw/zinc/83/50/67/1066835067.db2.gz WXRHRCJAMPQSCM-SFHVURJKSA-N 0 0 486.617 4.537 20 0 JJADRN O=C(N(CCO)Cc1cc(Br)cs1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001447648323 1066835041 /nfs/dbraw/zinc/83/50/41/1066835041.db2.gz FORRSGBOMIWMQM-UHFFFAOYSA-N 0 0 459.139 4.930 20 0 JJADRN Cc1cccc2c1CN(C(=O)c1cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s1)CC2 ZINC001447648946 1066835325 /nfs/dbraw/zinc/83/53/25/1066835325.db2.gz AFAVZPCQHSPZNW-UHFFFAOYSA-N 0 0 455.624 4.840 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)CCCc2ccccc2)cs1 ZINC001492690214 1066835586 /nfs/dbraw/zinc/83/55/86/1066835586.db2.gz LXFFYFOKSKZPOY-UHFFFAOYSA-N 0 0 452.653 4.710 20 0 JJADRN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001457460893 1066835882 /nfs/dbraw/zinc/83/58/82/1066835882.db2.gz RHQCDHIEBUOYRE-UHFFFAOYSA-N 0 0 451.383 4.659 20 0 JJADRN O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc(I)ccc1O ZINC001447650980 1066835976 /nfs/dbraw/zinc/83/59/76/1066835976.db2.gz ONOLYBUPXGWTCZ-UHFFFAOYSA-N 0 0 457.258 4.517 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC(Oc3ccc(F)cc3F)CC2)cs1 ZINC001492690607 1066836185 /nfs/dbraw/zinc/83/61/85/1066836185.db2.gz NYJLHQWQHQVSOG-UHFFFAOYSA-N 0 0 461.582 4.810 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(Cc2cccc(F)c2)C(C)C)cs1 ZINC001492690475 1066836230 /nfs/dbraw/zinc/83/62/30/1066836230.db2.gz QGASOKKVGAZRET-UHFFFAOYSA-N 0 0 450.587 4.826 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3ccccc3[S@](=O)C(F)(F)F)n2)cc1 ZINC001457465127 1066836378 /nfs/dbraw/zinc/83/63/78/1066836378.db2.gz VFVWJHKYTYJKSH-LJAQVGFWSA-N 0 0 459.496 4.578 20 0 JJADRN O=C(C/C=C\c1ccc(Br)cc1)N(CCO)Cc1cc(Br)cs1 ZINC001447653344 1066836775 /nfs/dbraw/zinc/83/67/75/1066836775.db2.gz QTYJLLZLEBHWJV-UPHRSURJSA-N 0 0 459.203 4.698 20 0 JJADRN O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001447655916 1066837322 /nfs/dbraw/zinc/83/73/22/1066837322.db2.gz LUOZQONZXIFGNH-CYBMUJFWSA-N 0 0 455.274 4.530 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCc4cc(Cl)ccc4C3)ccc2C)c1 ZINC001447656181 1066837509 /nfs/dbraw/zinc/83/75/09/1066837509.db2.gz ICNQKAIDVXLIJJ-UHFFFAOYSA-N 0 0 454.979 4.956 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1NC(=O)c1ccccc1F ZINC001457469616 1066837422 /nfs/dbraw/zinc/83/74/22/1066837422.db2.gz AYUGRIRTQNVFBN-IQVDJAOASA-N 0 0 452.551 4.957 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)cs1 ZINC001492692005 1066837632 /nfs/dbraw/zinc/83/76/32/1066837632.db2.gz QXTFXZOEZLJMTC-HXUWFJFHSA-N 0 0 461.632 4.582 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001457470391 1066837946 /nfs/dbraw/zinc/83/79/46/1066837946.db2.gz CYRKOIYGBOZFLM-CGKQSPDFSA-N 0 0 451.636 4.746 20 0 JJADRN Cc1nc(CCn2c(CCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001492692361 1066837934 /nfs/dbraw/zinc/83/79/34/1066837934.db2.gz YAXZJFPTVKNTKT-OAQYLSRUSA-N 0 0 496.681 4.564 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC(C)(C)C2)cs1 ZINC001492692526 1066837970 /nfs/dbraw/zinc/83/79/70/1066837970.db2.gz WCTWINZRZVSQEJ-IZAXUBKRSA-N 0 0 474.675 4.683 20 0 JJADRN Cc1nc(CN2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCCC(C)(C)C)CC2)no1 ZINC001492692538 1066838073 /nfs/dbraw/zinc/83/80/73/1066838073.db2.gz WPYBLCSFJBEPHG-IBGZPJMESA-N 0 0 499.635 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(Cl)ccc2C1 ZINC001447660578 1066838541 /nfs/dbraw/zinc/83/85/41/1066838541.db2.gz UAGGJZMCPQKGGV-QFIPXVFZSA-N 0 0 453.970 4.842 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447660137 1066838598 /nfs/dbraw/zinc/83/85/98/1066838598.db2.gz KDUJGKRXIHPFMI-QMMLZNLJSA-N 0 0 457.533 4.873 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)C(C)C)CC2)cs1 ZINC001492693697 1066838790 /nfs/dbraw/zinc/83/87/90/1066838790.db2.gz NSAPQVYWFMFRIA-UHFFFAOYSA-N 0 0 486.661 4.766 20 0 JJADRN Cc1cccc(C(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)c2cccc(C)c2)c1 ZINC001457472794 1066839085 /nfs/dbraw/zinc/83/90/85/1066839085.db2.gz PZFVBRYAXGNBHX-UHFFFAOYSA-N 0 0 454.567 4.649 20 0 JJADRN CCCn1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 ZINC001447663321 1066839162 /nfs/dbraw/zinc/83/91/62/1066839162.db2.gz VACXHVYELKGTPK-UHFFFAOYSA-N 0 0 453.608 4.863 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4ccccc4F)n3CCCSCC(C)C)CC2)cs1 ZINC001492693787 1066839254 /nfs/dbraw/zinc/83/92/54/1066839254.db2.gz QVDSKKNNYNUMOK-UHFFFAOYSA-N 0 0 488.702 4.951 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ccc(C2SCCS2)cc1 ZINC001447669857 1066839931 /nfs/dbraw/zinc/83/99/31/1066839931.db2.gz VLSCSAHGWFJZJU-HNNXBMFYSA-N 0 0 452.439 4.509 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001457480487 1066840557 /nfs/dbraw/zinc/84/05/57/1066840557.db2.gz PODWRYCDBUBXNH-UHFFFAOYSA-N 0 0 458.549 4.568 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001545999313 1066840946 /nfs/dbraw/zinc/84/09/46/1066840946.db2.gz KYVFVAQASIWMQH-OAQYLSRUSA-N 0 0 456.635 4.584 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC001447685986 1066841007 /nfs/dbraw/zinc/84/10/07/1066841007.db2.gz ADZXRGAKDBKZQL-INIZCTEOSA-N 0 0 454.958 4.836 20 0 JJADRN CCc1nc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1Cl ZINC001447688659 1066841545 /nfs/dbraw/zinc/84/15/45/1066841545.db2.gz BZUCNMXQALGQMN-QGZVFWFLSA-N 0 0 453.757 4.643 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492695286 1066841575 /nfs/dbraw/zinc/84/15/75/1066841575.db2.gz VZAHDUSWCDCGKG-QFBILLFUSA-N 0 0 485.658 4.551 20 0 JJADRN C[C@](O)(CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C1CCCCC1 ZINC001447687173 1066841576 /nfs/dbraw/zinc/84/15/76/1066841576.db2.gz TVCOARGDYOPLCQ-VWLOTQADSA-N 0 0 455.986 4.716 20 0 JJADRN C[C@@](O)(CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C1CCCCC1 ZINC001447687169 1066841663 /nfs/dbraw/zinc/84/16/63/1066841663.db2.gz TVCOARGDYOPLCQ-RUZDIDTESA-N 0 0 455.986 4.716 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001457491474 1066841845 /nfs/dbraw/zinc/84/18/45/1066841845.db2.gz CPDUYXARUBMECZ-IAGOWNOFSA-N 0 0 451.032 4.822 20 0 JJADRN C[C@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CCS1 ZINC001447689648 1066842073 /nfs/dbraw/zinc/84/20/73/1066842073.db2.gz DAPNZSXYXCLNJA-SFHVURJKSA-N 0 0 458.649 4.774 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)CCO2)cc1 ZINC001447690265 1066842170 /nfs/dbraw/zinc/84/21/70/1066842170.db2.gz SAZYNQLTGOMKKQ-FQEVSTJZSA-N 0 0 458.331 4.550 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1 ZINC001457490813 1066842256 /nfs/dbraw/zinc/84/22/56/1066842256.db2.gz KDFIYGHFQOICRH-CQSZACIVSA-N 0 0 454.527 4.760 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC001457492229 1066842387 /nfs/dbraw/zinc/84/23/87/1066842387.db2.gz PUEKGWMNVRZRQO-PNLZDCPESA-N 0 0 458.986 4.612 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(F)(F)C2)s1 ZINC001492695610 1066842754 /nfs/dbraw/zinc/84/27/54/1066842754.db2.gz IHCQUFYFBQUXQK-UHFFFAOYSA-N 0 0 455.481 4.993 20 0 JJADRN O=C(N[C@@H](C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC001447691981 1066842870 /nfs/dbraw/zinc/84/28/70/1066842870.db2.gz JEZASTHNVKWNPN-FGZHOGPDSA-N 0 0 457.357 4.704 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCN(C)c2ccccc2)s1 ZINC001492695661 1066843349 /nfs/dbraw/zinc/84/33/49/1066843349.db2.gz KJHZTPRUVQDYFO-UHFFFAOYSA-N 0 0 454.003 4.531 20 0 JJADRN O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N1CCN(c2cc(F)ccc2F)CC1 ZINC001457498973 1066843485 /nfs/dbraw/zinc/84/34/85/1066843485.db2.gz VIRVVKVZFAWEIG-UHFFFAOYSA-N 0 0 455.452 4.875 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC001457496382 1066843521 /nfs/dbraw/zinc/84/35/21/1066843521.db2.gz NYPUJRHQDPDJMT-UHFFFAOYSA-N 0 0 457.596 4.535 20 0 JJADRN CCCCc1ccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC001457499871 1066843584 /nfs/dbraw/zinc/84/35/84/1066843584.db2.gz WJQJSCYUFUAYEX-UHFFFAOYSA-N 0 0 458.624 4.879 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@H]2C(C)C)s1 ZINC001492695821 1066843466 /nfs/dbraw/zinc/84/34/66/1066843466.db2.gz NZDBXQDEOCQOCP-PXNSSMCTSA-N 0 0 461.035 4.846 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)s1 ZINC001492695867 1066843996 /nfs/dbraw/zinc/84/39/96/1066843996.db2.gz OPCDFVGTWLVLAE-UHFFFAOYSA-N 0 0 478.569 4.506 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)s1 ZINC001492695910 1066844201 /nfs/dbraw/zinc/84/42/01/1066844201.db2.gz PJLKIERFWNETCL-HNNXBMFYSA-N 0 0 474.606 4.646 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545999494 1066844498 /nfs/dbraw/zinc/84/44/98/1066844498.db2.gz OWKYPAIBHXLYAH-HKUYNNGSSA-N 0 0 477.030 4.595 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1Br)C1(Cc2cccs2)CCCCC1 ZINC001447700189 1066844547 /nfs/dbraw/zinc/84/45/47/1066844547.db2.gz WXWDDGYUXFXLSP-QGZVFWFLSA-N 0 0 450.442 4.971 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC(F)(F)CO2)s1 ZINC001492695952 1066844561 /nfs/dbraw/zinc/84/45/61/1066844561.db2.gz RKHGVYIZUBHHIH-OAHLLOKOSA-N 0 0 498.397 4.842 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001457502820 1066844791 /nfs/dbraw/zinc/84/47/91/1066844791.db2.gz AHAWKACKWYCBDY-KXBFYZLASA-N 0 0 458.352 4.793 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001457502808 1066844906 /nfs/dbraw/zinc/84/49/06/1066844906.db2.gz AHAWKACKWYCBDY-HNAYVOBHSA-N 0 0 458.352 4.793 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001447705402 1066845064 /nfs/dbraw/zinc/84/50/64/1066845064.db2.gz PSNGARMCXZUMDE-KPZWWZAWSA-N 0 0 450.284 4.842 20 0 JJADRN COc1cc2ncc(C(=O)NCC3(c4cccc(Cl)c4F)CCCC3)c(O)c2c(OC)c1 ZINC001447715166 1066845764 /nfs/dbraw/zinc/84/57/64/1066845764.db2.gz DELXFWRXOUZQSV-UHFFFAOYSA-N 0 0 458.917 4.580 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CCC(C)(C)O)s1 ZINC001492696236 1066845784 /nfs/dbraw/zinc/84/57/84/1066845784.db2.gz ZHRDVGXXYGRXKG-UHFFFAOYSA-N 0 0 464.433 4.578 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)c2)n1 ZINC001457507605 1066845968 /nfs/dbraw/zinc/84/59/68/1066845968.db2.gz IRMDIJVQNATTAL-AWEZNQCLSA-N 0 0 459.333 4.906 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001447717492 1066846281 /nfs/dbraw/zinc/84/62/81/1066846281.db2.gz GPPJTKBTGKWKCN-NHCUHLMSSA-N 0 0 456.970 4.534 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H]2C)s1 ZINC001492696300 1066846397 /nfs/dbraw/zinc/84/63/97/1066846397.db2.gz IZLOCCLNLKUMNV-LPHOPBHVSA-N 0 0 452.628 4.985 20 0 JJADRN C[C@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457508690 1066846659 /nfs/dbraw/zinc/84/66/59/1066846659.db2.gz LCKLSXRMQUEQCT-HNNXBMFYSA-N 0 0 452.942 4.687 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCCC2)s1 ZINC001492696561 1066847216 /nfs/dbraw/zinc/84/72/16/1066847216.db2.gz QAACVYVSUHJLOJ-UHFFFAOYSA-N 0 0 493.475 4.797 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnn(C)c2C)s1 ZINC001492696658 1066847782 /nfs/dbraw/zinc/84/77/82/1066847782.db2.gz TTXVOOGSLGKWKP-GOSISDBHSA-N 0 0 465.627 4.526 20 0 JJADRN CC(C)[C@](C)(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1ccc(Br)cc1 ZINC001447727690 1066848378 /nfs/dbraw/zinc/84/83/78/1066848378.db2.gz RYXUQBGZLIQCLP-LVBDUCALSA-N 0 0 465.432 4.940 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cnn(CCC(F)(F)F)c1 ZINC001457515137 1066848336 /nfs/dbraw/zinc/84/83/36/1066848336.db2.gz DQWHTLRFIPWTTI-UHFFFAOYSA-N 0 0 456.877 4.733 20 0 JJADRN CC(C)[C@](C)(NC(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)c1ccc(Br)cc1 ZINC001447728767 1066848428 /nfs/dbraw/zinc/84/84/28/1066848428.db2.gz TUDHHFXVUZUZOC-QINHECLXSA-N 0 0 475.374 4.843 20 0 JJADRN CC(C)c1c(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cnn1-c1ccc(F)cc1 ZINC001447736274 1066849638 /nfs/dbraw/zinc/84/96/38/1066849638.db2.gz RKNXHIYULFOUAN-JYFHCDHNSA-N 0 0 453.533 4.778 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccc(Br)s1 ZINC001457518450 1066849596 /nfs/dbraw/zinc/84/95/96/1066849596.db2.gz MFVREIBUTLIWCD-UHFFFAOYSA-N 0 0 457.560 4.849 20 0 JJADRN CCc1c(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cnn1-c1ccc(Br)cc1 ZINC001457520645 1066850232 /nfs/dbraw/zinc/85/02/32/1066850232.db2.gz PMLJUDHBSALJAH-UHFFFAOYSA-N 0 0 451.328 4.543 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447740246 1066850174 /nfs/dbraw/zinc/85/01/74/1066850174.db2.gz WYASXXDYEWCWMR-NRFANRHFSA-N 0 0 459.377 4.820 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001447740475 1066850836 /nfs/dbraw/zinc/85/08/36/1066850836.db2.gz FSQHTZYDQCFBTQ-VQTJNVASSA-N 0 0 479.662 4.710 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccs2)s1 ZINC001492697771 1066850840 /nfs/dbraw/zinc/85/08/40/1066850840.db2.gz ZSXKGHGNSLSSQT-QGZVFWFLSA-N 0 0 488.683 4.904 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001546000000 1066850849 /nfs/dbraw/zinc/85/08/49/1066850849.db2.gz YPSIDMLSXFBVKW-PWRODBHTSA-N 0 0 468.646 4.584 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3c[nH]c4ccccc43)n2CCN(C)C(=O)OC(C)(C)C)s1 ZINC001492697758 1066850980 /nfs/dbraw/zinc/85/09/80/1066850980.db2.gz ZEMZQXLAECSHCQ-UHFFFAOYSA-N 0 0 481.626 4.695 20 0 JJADRN CCn1cc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(-c2ccccc2)n1 ZINC001447745721 1066851591 /nfs/dbraw/zinc/85/15/91/1066851591.db2.gz ZLPDDLUBTRCIKK-UHFFFAOYSA-N 0 0 452.599 4.823 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001546000031 1066851612 /nfs/dbraw/zinc/85/16/12/1066851612.db2.gz YZVOBMXWPDRZMD-NHCUHLMSSA-N 0 0 471.646 4.806 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC001457527136 1066852259 /nfs/dbraw/zinc/85/22/59/1066852259.db2.gz TWDVTXJYYQAWRL-CABCVRRESA-N 0 0 457.368 4.884 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC2)s1 ZINC001492698702 1066852424 /nfs/dbraw/zinc/85/24/24/1066852424.db2.gz IUJGNTLSJPVJLN-GOSISDBHSA-N 0 0 455.628 4.592 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)s1 ZINC001492698777 1066852945 /nfs/dbraw/zinc/85/29/45/1066852945.db2.gz LHTQKIZZZHMLCI-UHFFFAOYSA-N 0 0 479.654 4.532 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001447753012 1066853058 /nfs/dbraw/zinc/85/30/58/1066853058.db2.gz KXASWNGRZYIOEP-LBPRGKRZSA-N 0 0 459.295 4.979 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)s1 ZINC001492698917 1066853662 /nfs/dbraw/zinc/85/36/62/1066853662.db2.gz QNLZAZIGYSLNKH-UHFFFAOYSA-N 0 0 488.539 4.763 20 0 JJADRN CCCCOc1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1Cl ZINC001447754898 1066854238 /nfs/dbraw/zinc/85/42/38/1066854238.db2.gz ZSIWIJUKKUTSCD-UHFFFAOYSA-N 0 0 457.914 4.703 20 0 JJADRN Cc1ccc(Cn2ccccc2=NC(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)cc1 ZINC001457536177 1066854274 /nfs/dbraw/zinc/85/42/74/1066854274.db2.gz SPQFZKQLLVUDQA-UHFFFAOYSA-N 0 0 452.580 4.708 20 0 JJADRN O=C(c1nccc(Cl)c1F)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001447761535 1066855074 /nfs/dbraw/zinc/85/50/74/1066855074.db2.gz JYAJOUNLXFQFEF-ZDUSSCGKSA-N 0 0 451.683 4.664 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC001457539256 1066855085 /nfs/dbraw/zinc/85/50/85/1066855085.db2.gz ADNKBZSXDUEDER-HXUWFJFHSA-N 0 0 455.555 4.948 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1 ZINC001447774455 1066855741 /nfs/dbraw/zinc/85/57/41/1066855741.db2.gz AZIDPAHJNSSELD-HRAATJIYSA-N 0 0 457.983 4.615 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1 ZINC001447774487 1066855752 /nfs/dbraw/zinc/85/57/52/1066855752.db2.gz AZIDPAHJNSSELD-KKSFZXQISA-N 0 0 457.983 4.615 20 0 JJADRN CC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)ccc1C ZINC001447767321 1066855790 /nfs/dbraw/zinc/85/57/90/1066855790.db2.gz YLWWEHKXCDNTKH-LJQANCHMSA-N 0 0 454.324 4.987 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001447777975 1066856422 /nfs/dbraw/zinc/85/64/22/1066856422.db2.gz HHZCJVBSYMWXTF-MGPUTAFESA-N 0 0 457.983 4.601 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c(OC(F)F)c1 ZINC001457541683 1066856515 /nfs/dbraw/zinc/85/65/15/1066856515.db2.gz MNHPLJGCLVUISY-UHFFFAOYSA-N 0 0 453.392 4.994 20 0 JJADRN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 ZINC001457542602 1066856581 /nfs/dbraw/zinc/85/65/81/1066856581.db2.gz NGRPGVXKRXNSAV-VQIMIIECSA-N 0 0 452.407 4.747 20 0 JJADRN Cc1ncc(Cn2c(-c3cccnc3)nnc2N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492700732 1066856709 /nfs/dbraw/zinc/85/67/09/1066856709.db2.gz QYRGJLHXKIYMNM-UHFFFAOYSA-N 0 0 497.669 4.627 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492700904 1066857251 /nfs/dbraw/zinc/85/72/51/1066857251.db2.gz SQDCFSVDOPDVNS-HNNXBMFYSA-N 0 0 462.417 4.526 20 0 JJADRN Cc1ncc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492700817 1066857349 /nfs/dbraw/zinc/85/73/49/1066857349.db2.gz IPSHDWFIIQUESJ-QGZVFWFLSA-N 0 0 496.628 4.687 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001447789283 1066857649 /nfs/dbraw/zinc/85/76/49/1066857649.db2.gz CQIJKICLZTYGSE-UHFFFAOYSA-N 0 0 455.393 4.756 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@H](C)c2ccc(Cl)cn2)c2ccccc2)cc1 ZINC001447790519 1066858434 /nfs/dbraw/zinc/85/84/34/1066858434.db2.gz ADMVRTAZRNYHEW-GOSISDBHSA-N 0 0 457.983 4.506 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457549098 1066858607 /nfs/dbraw/zinc/85/86/07/1066858607.db2.gz DSLVWMJUOIBWPE-NFBKMPQASA-N 0 0 451.611 4.990 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC001492701739 1066859286 /nfs/dbraw/zinc/85/92/86/1066859286.db2.gz DWSFWBHFSDULGY-ZWKOTPCHSA-N 0 0 470.609 4.857 20 0 JJADRN Cc1ncc(Cn2c(N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)nnc2C(C)(C)C)s1 ZINC001492702154 1066859819 /nfs/dbraw/zinc/85/98/19/1066859819.db2.gz UBYGMKVQSQICRL-GOSISDBHSA-N 0 0 465.545 4.986 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@@H](C)C2)s1 ZINC001492702019 1066859868 /nfs/dbraw/zinc/85/98/68/1066859868.db2.gz PCLANWLDPONAIZ-BXWFABGCSA-N 0 0 460.648 4.646 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3ccc(F)cc3)CC2)s1 ZINC001492702037 1066859873 /nfs/dbraw/zinc/85/98/73/1066859873.db2.gz PVUZKMPCCHTXCC-KRWDZBQOSA-N 0 0 456.635 4.606 20 0 JJADRN Cc1ncc(Cn2c(N(C)Cc3ccc(F)c(Cl)c3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492702560 1066860517 /nfs/dbraw/zinc/86/05/17/1066860517.db2.gz IXFWYISCDATBLK-QFIPXVFZSA-N 0 0 480.009 4.561 20 0 JJADRN Cc1ncc(Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492702518 1066860619 /nfs/dbraw/zinc/86/06/19/1066860619.db2.gz HJYQNBBSWDVPSN-NRFANRHFSA-N 0 0 496.681 4.570 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(-c4ccccc4C)n3CCSCC(F)(F)F)CC2)s1 ZINC001492702340 1066860630 /nfs/dbraw/zinc/86/06/30/1066860630.db2.gz YIPFGCUXTASLRZ-UHFFFAOYSA-N 0 0 496.628 4.636 20 0 JJADRN C[C@@H](NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001457558037 1066860682 /nfs/dbraw/zinc/86/06/82/1066860682.db2.gz QXFLACQKOMPETQ-CMJOXMDJSA-N 0 0 459.443 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)cc21 ZINC001457555723 1066860715 /nfs/dbraw/zinc/86/07/15/1066860715.db2.gz KXWJSXSMBJHQHB-UHFFFAOYSA-N 0 0 453.930 4.604 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)NOCc2ccc(F)cc2Br)cc1 ZINC001447801517 1066861633 /nfs/dbraw/zinc/86/16/33/1066861633.db2.gz IHBUJLIQSKYGEY-UHFFFAOYSA-N 0 0 452.320 4.834 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(COc4ccc(Cl)cc4Cl)n3CC(C)C)CC2)s1 ZINC001492703691 1066861838 /nfs/dbraw/zinc/86/18/38/1066861838.db2.gz XEPJQPFAHIQUSX-UHFFFAOYSA-N 0 0 495.480 4.907 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2cccc(Br)c2)cn1 ZINC001492703628 1066861852 /nfs/dbraw/zinc/86/18/52/1066861852.db2.gz CIKJEPOIHSHLLM-UHFFFAOYSA-N 0 0 494.441 4.813 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(N3CCCCCC3)cc2)cc1 ZINC001457563246 1066862093 /nfs/dbraw/zinc/86/20/93/1066862093.db2.gz FTUDJJFCFWJYLI-NRFANRHFSA-N 0 0 451.611 4.853 20 0 JJADRN COC(=O)c1csc(NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)c1 ZINC001457562543 1066862225 /nfs/dbraw/zinc/86/22/25/1066862225.db2.gz ITZXCOFPMROYNK-UHFFFAOYSA-N 0 0 453.339 4.682 20 0 JJADRN O=C(Nc1ccccc1C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)OCc1ccccc1 ZINC001447801836 1066862272 /nfs/dbraw/zinc/86/22/72/1066862272.db2.gz NBXAZODYBMHELC-JTSKRJEESA-N 0 0 450.457 4.649 20 0 JJADRN O=C(NOCc1ccc(F)cc1Br)c1nc(Br)sc1C1CC1 ZINC001447806692 1066862829 /nfs/dbraw/zinc/86/28/29/1066862829.db2.gz XVKPRQDNZGEDJX-UHFFFAOYSA-N 0 0 450.127 4.546 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2Br)nnc1N(C)CC(F)(F)F ZINC001492704438 1066863227 /nfs/dbraw/zinc/86/32/27/1066863227.db2.gz BUOJQOYEFHKCOU-UHFFFAOYSA-N 0 0 471.325 4.691 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C)[C@H]2C)cc1F ZINC001492704334 1066863283 /nfs/dbraw/zinc/86/32/83/1066863283.db2.gz ZEQJIFXWHBZGNE-IAGOWNOFSA-N 0 0 456.635 4.878 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1I ZINC001457565329 1066863373 /nfs/dbraw/zinc/86/33/73/1066863373.db2.gz NEXBNZDRMYWIQK-UHFFFAOYSA-N 0 0 455.601 4.981 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001457564652 1066863495 /nfs/dbraw/zinc/86/34/95/1066863495.db2.gz PEYIZGVIDMLKBH-KPZWWZAWSA-N 0 0 454.329 4.863 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)cn2)c(C)c1 ZINC001447813191 1066865122 /nfs/dbraw/zinc/86/51/22/1066865122.db2.gz PHGINNRCDUJBGS-UHFFFAOYSA-N 0 0 452.971 4.762 20 0 JJADRN CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c2)CC1 ZINC001447813204 1066865157 /nfs/dbraw/zinc/86/51/57/1066865157.db2.gz YNOMZWLYYDKOAR-OAQYLSRUSA-N 0 0 453.652 4.816 20 0 JJADRN CCc1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)c2c(CC(C)(C)C)noc2n1 ZINC001457568819 1066865337 /nfs/dbraw/zinc/86/53/37/1066865337.db2.gz WMXLNMLHVYZVCZ-UHFFFAOYSA-N 0 0 453.930 4.965 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)/C=C/COC3CCOCC3)cc2Cl)n1 ZINC001447817553 1066865601 /nfs/dbraw/zinc/86/56/01/1066865601.db2.gz YLLJVEQWAPDJDR-SNAWJCMRSA-N 0 0 451.976 4.972 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)C1 ZINC001492705190 1066866037 /nfs/dbraw/zinc/86/60/37/1066866037.db2.gz YILPKEMUAHNHMZ-FQEVSTJZSA-N 0 0 485.677 4.614 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(N(C)Cc3cccc(OC(C)C)c3)nnc2C(C)(C)C)cn1 ZINC001492705792 1066866085 /nfs/dbraw/zinc/86/60/85/1066866085.db2.gz RFVYZAPOPMPGPG-UHFFFAOYSA-N 0 0 473.625 4.937 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCSC(C)(C)C1)Oc1cccc(F)c1 ZINC001546000760 1066866213 /nfs/dbraw/zinc/86/62/13/1066866213.db2.gz AIVLTCJUSNCLKI-FQEVSTJZSA-N 0 0 455.603 4.592 20 0 JJADRN CN(C)Cc1ccc(NC(=O)c2nc(Br)sc2Cl)cc1Br ZINC001447827346 1066866404 /nfs/dbraw/zinc/86/64/04/1066866404.db2.gz YUCGILALTYBXNI-UHFFFAOYSA-N 0 0 453.587 4.635 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC001457569804 1066866734 /nfs/dbraw/zinc/86/67/34/1066866734.db2.gz HSBVIBIVWQIENT-UHFFFAOYSA-N 0 0 459.312 4.901 20 0 JJADRN CNc1ncccc1C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001447831394 1066867039 /nfs/dbraw/zinc/86/70/39/1066867039.db2.gz AEBDEYKQZWGPRH-RBBKRZOGSA-N 0 0 452.599 4.502 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1c1ccc(C)o1 ZINC001457571559 1066867108 /nfs/dbraw/zinc/86/71/08/1066867108.db2.gz FKARNCJXZKOYQD-KBPBESRZSA-N 0 0 456.724 4.700 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 ZINC001447844594 1066867819 /nfs/dbraw/zinc/86/78/19/1066867819.db2.gz UDHSWFYAZGUSKB-HXUWFJFHSA-N 0 0 451.567 4.708 20 0 JJADRN CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001457572320 1066867696 /nfs/dbraw/zinc/86/76/96/1066867696.db2.gz OSQGZNGVLNRIQR-JKIFEVAISA-N 0 0 455.049 4.556 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 ZINC001492706300 1066868421 /nfs/dbraw/zinc/86/84/21/1066868421.db2.gz IVZGHKXAMVCJAB-FPOVZHCZSA-N 0 0 471.650 4.572 20 0 JJADRN Cc1c(C(=O)NCc2ccc(C)cc2OCCC(C)C)nnn1-c1ccc(OC(F)F)cc1 ZINC001457575381 1066868537 /nfs/dbraw/zinc/86/85/37/1066868537.db2.gz POSGMGMEZNUWCS-UHFFFAOYSA-N 0 0 458.509 4.840 20 0 JJADRN O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001457576596 1066868931 /nfs/dbraw/zinc/86/89/31/1066868931.db2.gz UTRURHMEKINLFK-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492706534 1066869094 /nfs/dbraw/zinc/86/90/94/1066869094.db2.gz QPEYKPMHNUKLRA-UHFFFAOYSA-N 0 0 480.485 4.831 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC[C@@H](C)C3)c2)cc1 ZINC001447846906 1066869109 /nfs/dbraw/zinc/86/91/09/1066869109.db2.gz MYEHUWKCRHXIPL-MRXNPFEDSA-N 0 0 450.988 4.802 20 0 JJADRN COCc1[nH]nc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1-c1ccc(Cl)cc1 ZINC001457578045 1066869747 /nfs/dbraw/zinc/86/97/47/1066869747.db2.gz ZYAPHZDTCYKKAS-DOTOQJQBSA-N 0 0 462.978 4.899 20 0 JJADRN C[C@@H](C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)n1ccc2ccccc2c1=O ZINC001447850002 1066869831 /nfs/dbraw/zinc/86/98/31/1066869831.db2.gz VJZCOVCTUDUOTL-HRAATJIYSA-N 0 0 453.380 4.853 20 0 JJADRN Cc1nccn1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706857 1066870016 /nfs/dbraw/zinc/87/00/16/1066870016.db2.gz CJFXUWUJEYHXKD-NRFANRHFSA-N 0 0 457.022 4.978 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492707191 1066870055 /nfs/dbraw/zinc/87/00/55/1066870055.db2.gz NQGFEWDCHDOPPG-OYRHEFFESA-N 0 0 466.630 4.579 20 0 JJADRN O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001447854511 1066870217 /nfs/dbraw/zinc/87/02/17/1066870217.db2.gz FTRZAUITDBRNDO-OAQYLSRUSA-N 0 0 457.299 4.989 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492707456 1066870832 /nfs/dbraw/zinc/87/08/32/1066870832.db2.gz WBPQDDVXJNYHAR-UHFFFAOYSA-N 0 0 457.022 4.978 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492707464 1066870871 /nfs/dbraw/zinc/87/08/71/1066870871.db2.gz WOJUNOXPYFXBIE-INIZCTEOSA-N 0 0 463.449 4.847 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cnc(Cl)c(Br)c3)c(=O)oc2c1 ZINC001457581318 1066870883 /nfs/dbraw/zinc/87/08/83/1066870883.db2.gz WJELXMIVUKZJNV-UHFFFAOYSA-N 0 0 450.720 4.702 20 0 JJADRN COc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1OC(C)C ZINC001447859676 1066870853 /nfs/dbraw/zinc/87/08/53/1066870853.db2.gz PLTWVRAHQJIRAO-LJQANCHMSA-N 0 0 452.320 4.598 20 0 JJADRN Cc1ccc(I)cc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001447861460 1066870895 /nfs/dbraw/zinc/87/08/95/1066870895.db2.gz BGAFJEHIYWQDOZ-AWEZNQCLSA-N 0 0 458.340 4.575 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001457585115 1066871472 /nfs/dbraw/zinc/87/14/72/1066871472.db2.gz AFOAZYCESRIVLQ-NVXWUHKLSA-N 0 0 474.001 4.561 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)n1Cc1ccccc1 ZINC001447863849 1066871479 /nfs/dbraw/zinc/87/14/79/1066871479.db2.gz HMFFOHVWTBMFKN-OAQYLSRUSA-N 0 0 455.480 4.707 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492707773 1066871697 /nfs/dbraw/zinc/87/16/97/1066871697.db2.gz HFURBVFBDIYJEY-FQEVSTJZSA-N 0 0 473.419 4.514 20 0 JJADRN O=C(CCC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)c1ccc(Cl)cc1 ZINC001447866108 1066871624 /nfs/dbraw/zinc/87/16/24/1066871624.db2.gz XHPYPRFXXWTKOO-LJQANCHMSA-N 0 0 454.723 4.805 20 0 JJADRN O=C(NCC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC001447864992 1066871681 /nfs/dbraw/zinc/87/16/81/1066871681.db2.gz IIEUZSLPCDNQMH-KRWDZBQOSA-N 0 0 457.905 4.797 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001457586668 1066872113 /nfs/dbraw/zinc/87/21/13/1066872113.db2.gz XSLMAULWVUCVQD-QHCPKHFHSA-N 0 0 450.535 4.561 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492708773 1066872199 /nfs/dbraw/zinc/87/21/99/1066872199.db2.gz LTXUFPNJKLJPRQ-UHFFFAOYSA-N 0 0 473.463 4.903 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C1(c2ccccc2)CCCC1 ZINC001447869214 1066872151 /nfs/dbraw/zinc/87/21/51/1066872151.db2.gz SICDLDKMQPCTLE-QGZVFWFLSA-N 0 0 455.555 4.585 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001447867601 1066872191 /nfs/dbraw/zinc/87/21/91/1066872191.db2.gz OTAOIHQZRMOOAS-QGZVFWFLSA-N 0 0 452.523 4.789 20 0 JJADRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C ZINC001447866765 1066872364 /nfs/dbraw/zinc/87/23/64/1066872364.db2.gz HDGIFWNOVOFAIC-SHCJBYGUSA-N 0 0 458.643 4.896 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001457586663 1066872368 /nfs/dbraw/zinc/87/23/68/1066872368.db2.gz XSLMAULWVUCVQD-HSZRJFAPSA-N 0 0 450.535 4.561 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546001091 1066873259 /nfs/dbraw/zinc/87/32/59/1066873259.db2.gz GYHNENYYXDCZSQ-WAOWUJCRSA-N 0 0 455.603 4.591 20 0 JJADRN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CC[C@@H](O)C(C)(C)C3)cc12 ZINC001447882784 1066873339 /nfs/dbraw/zinc/87/33/39/1066873339.db2.gz ZZXZQVTXLFMQMX-GOSISDBHSA-N 0 0 452.407 4.994 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001546001090 1066873395 /nfs/dbraw/zinc/87/33/95/1066873395.db2.gz GYHNENYYXDCZSQ-LVCYWYKZSA-N 0 0 455.603 4.591 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 ZINC001492709639 1066873779 /nfs/dbraw/zinc/87/37/79/1066873779.db2.gz OYVFPMLYXRHVHF-UEVCKROQSA-N 0 0 450.631 4.989 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709302 1066873811 /nfs/dbraw/zinc/87/38/11/1066873811.db2.gz FFVNJNFAWCTBJD-GOSISDBHSA-N 0 0 452.578 4.945 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492709436 1066873892 /nfs/dbraw/zinc/87/38/92/1066873892.db2.gz IUQRNXQNCNRTOQ-OAHLLOKOSA-N 0 0 464.948 4.758 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001447896388 1066873975 /nfs/dbraw/zinc/87/39/75/1066873975.db2.gz QEVCGGGNCNYCEJ-HHHXNRCGSA-N 0 0 450.579 4.563 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447899131 1066874015 /nfs/dbraw/zinc/87/40/15/1066874015.db2.gz GYYNHAOZGSMCSN-HXUWFJFHSA-N 0 0 450.844 4.945 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447899130 1066874066 /nfs/dbraw/zinc/87/40/66/1066874066.db2.gz GYYNHAOZGSMCSN-FQEVSTJZSA-N 0 0 450.844 4.945 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)NCCc1nc2cc(Cl)ccc2s1 ZINC001457593991 1066874036 /nfs/dbraw/zinc/87/40/36/1066874036.db2.gz MYYICDKVSVLKHV-UHFFFAOYSA-N 0 0 451.036 4.801 20 0 JJADRN Cc1nccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492709736 1066874516 /nfs/dbraw/zinc/87/45/16/1066874516.db2.gz SNASGFQKVNCBGH-FQEVSTJZSA-N 0 0 475.062 4.824 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)C2)c1 ZINC001447904763 1066874821 /nfs/dbraw/zinc/87/48/21/1066874821.db2.gz LTPVDZNOFKMUNS-JTSKRJEESA-N 0 0 459.949 4.632 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492710272 1066875220 /nfs/dbraw/zinc/87/52/20/1066875220.db2.gz JNXTZOPRUNQJEX-IBGZPJMESA-N 0 0 493.450 4.630 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(c3ccccc3Br)CC2)CCC1 ZINC001447905801 1066875299 /nfs/dbraw/zinc/87/52/99/1066875299.db2.gz NWIBXWXKFIDUCP-UHFFFAOYSA-N 0 0 451.405 4.945 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447908727 1066875455 /nfs/dbraw/zinc/87/54/55/1066875455.db2.gz VXASDPUJTGNPQZ-APPDUMDISA-N 0 0 459.732 4.504 20 0 JJADRN C[C@@H](CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)NC(=O)OC(C)(C)C ZINC001457603064 1066875891 /nfs/dbraw/zinc/87/58/91/1066875891.db2.gz CXRVVYNSNXYNJD-JTQLQIEISA-N 0 0 457.756 4.734 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](Cc1nnc[nH]1)c1ccccc1 ZINC001447917004 1066876023 /nfs/dbraw/zinc/87/60/23/1066876023.db2.gz UNAHDWPTQBCGQX-QGZVFWFLSA-N 0 0 457.481 4.969 20 0 JJADRN CSc1ncc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)n1-c1ccc(F)cc1 ZINC001447913862 1066876122 /nfs/dbraw/zinc/87/61/22/1066876122.db2.gz NDIZYVFCRIJSDY-UHFFFAOYSA-N 0 0 450.461 4.864 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@@H](Cc1nnc[nH]1)c1ccccc1 ZINC001447912407 1066876166 /nfs/dbraw/zinc/87/61/66/1066876166.db2.gz KITZKMMMFGZQOR-SFHVURJKSA-N 0 0 457.481 4.590 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(OC)c(Cl)c1 ZINC001447910574 1066876195 /nfs/dbraw/zinc/87/61/95/1066876195.db2.gz YIFCTLGAPPXERT-IBGZPJMESA-N 0 0 456.907 4.862 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492710607 1066876193 /nfs/dbraw/zinc/87/61/93/1066876193.db2.gz VXDHFSHUEYQYHR-CQSZACIVSA-N 0 0 483.336 4.533 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492711694 1066876791 /nfs/dbraw/zinc/87/67/91/1066876791.db2.gz BXLNTYUWTOYCOK-QHCPKHFHSA-N 0 0 480.657 4.611 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001447918700 1066876737 /nfs/dbraw/zinc/87/67/37/1066876737.db2.gz LSSSCIDYDCCDGU-DEOSSOPVSA-N 0 0 452.510 4.503 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)c2)n1 ZINC001447918547 1066876948 /nfs/dbraw/zinc/87/69/48/1066876948.db2.gz YKKSCVHFBZCPQZ-UHFFFAOYSA-N 0 0 457.456 4.673 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001447918701 1066876956 /nfs/dbraw/zinc/87/69/56/1066876956.db2.gz LSSSCIDYDCCDGU-XMMPIXPASA-N 0 0 452.510 4.503 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492712352 1066877537 /nfs/dbraw/zinc/87/75/37/1066877537.db2.gz AMSGTEBBRKFRGX-PGRDOPGGSA-N 0 0 487.073 4.990 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1 ZINC001492712260 1066877650 /nfs/dbraw/zinc/87/76/50/1066877650.db2.gz XDFFARCYCHLUCC-UHFFFAOYSA-N 0 0 458.557 4.595 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492712075 1066877855 /nfs/dbraw/zinc/87/78/55/1066877855.db2.gz RJUKSBBSSWKYKQ-UHFFFAOYSA-N 0 0 493.439 4.763 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cccc(S(N)(=O)=O)c1 ZINC001447935635 1066878151 /nfs/dbraw/zinc/87/81/51/1066878151.db2.gz BEXFMTBRBZJIJD-OAHLLOKOSA-N 0 0 457.602 4.553 20 0 JJADRN Cc1nccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001492712893 1066878449 /nfs/dbraw/zinc/87/84/49/1066878449.db2.gz QLTZBYXSMUNNIR-DHIUTWEWSA-N 0 0 468.621 4.956 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC001457613310 1066878510 /nfs/dbraw/zinc/87/85/10/1066878510.db2.gz KKBFXZXOVWYXGB-LTBCBRHQSA-N 0 0 454.983 4.564 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492712977 1066878554 /nfs/dbraw/zinc/87/85/54/1066878554.db2.gz SVHDDLYWQCJDHG-OALUTQOASA-N 0 0 452.578 4.771 20 0 JJADRN CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447938828 1066878705 /nfs/dbraw/zinc/87/87/05/1066878705.db2.gz FFACFTIZHNZQOR-PXNSSMCTSA-N 0 0 458.794 4.679 20 0 JJADRN CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447938830 1066878733 /nfs/dbraw/zinc/87/87/33/1066878733.db2.gz FFACFTIZHNZQOR-XLIONFOSSA-N 0 0 458.794 4.679 20 0 JJADRN CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447938825 1066878745 /nfs/dbraw/zinc/87/87/45/1066878745.db2.gz FFACFTIZHNZQOR-FXAWDEMLSA-N 0 0 458.794 4.679 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2cncc(F)c2Cl)cc1 ZINC001457614265 1066879102 /nfs/dbraw/zinc/87/91/02/1066879102.db2.gz WFMHRFRAZQLIAC-UHFFFAOYSA-N 0 0 455.917 4.910 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447943649 1066879390 /nfs/dbraw/zinc/87/93/90/1066879390.db2.gz LMUDBXKBBLIZFK-NQIIRXRSSA-N 0 0 451.350 4.915 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001492713559 1066879678 /nfs/dbraw/zinc/87/96/78/1066879678.db2.gz NUYXWEJGICWCTP-UHFFFAOYSA-N 0 0 484.391 4.503 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492713599 1066879707 /nfs/dbraw/zinc/87/97/07/1066879707.db2.gz OURAHHXNNMNGFI-UHFFFAOYSA-N 0 0 455.006 4.724 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2c(C)coc2C)CCO1 ZINC001546092525 1066879709 /nfs/dbraw/zinc/87/97/09/1066879709.db2.gz BGZSYELFPPBNOT-SANMLTNESA-N 0 0 487.645 4.656 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492713516 1066879796 /nfs/dbraw/zinc/87/97/96/1066879796.db2.gz MSMWWPBPSOWPJU-INIZCTEOSA-N 0 0 498.912 4.626 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cs1 ZINC001447947685 1066880037 /nfs/dbraw/zinc/88/00/37/1066880037.db2.gz OUKPKVNLZSXAKF-AZUAARDMSA-N 0 0 450.391 4.517 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)c1ccco1 ZINC001492713675 1066880235 /nfs/dbraw/zinc/88/02/35/1066880235.db2.gz RJLBHKPBRCJTJD-CQSZACIVSA-N 0 0 473.400 4.901 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@@H](C)c3nc(-c4ccc(Cl)cc4)c(C)s3)nn2)cc1 ZINC001457616655 1066880196 /nfs/dbraw/zinc/88/01/96/1066880196.db2.gz QCTYDZNANBLDCX-ZDUSSCGKSA-N 0 0 453.955 4.852 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)c(C)s3)nn2)cc1 ZINC001457616649 1066880366 /nfs/dbraw/zinc/88/03/66/1066880366.db2.gz QCTYDZNANBLDCX-CYBMUJFWSA-N 0 0 453.955 4.852 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447952054 1066880535 /nfs/dbraw/zinc/88/05/35/1066880535.db2.gz VJXOCKMFOBBCBX-PMACEKPBSA-N 0 0 450.753 4.871 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)(C)C ZINC001492713895 1066880958 /nfs/dbraw/zinc/88/09/58/1066880958.db2.gz ZPLXIBAQVIDJHZ-UHFFFAOYSA-N 0 0 461.383 4.670 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3nccnc3C)C2)sc1C ZINC001492713927 1066881027 /nfs/dbraw/zinc/88/10/27/1066881027.db2.gz AYAKLIFIHWZMPT-IBGZPJMESA-N 0 0 453.660 4.665 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001447956090 1066881581 /nfs/dbraw/zinc/88/15/81/1066881581.db2.gz HQOKPDZGGLIXMA-NHCUHLMSSA-N 0 0 451.567 4.529 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc2S1 ZINC001457621185 1066882000 /nfs/dbraw/zinc/88/20/00/1066882000.db2.gz RKEHNAPHTFBHBY-HNNXBMFYSA-N 0 0 451.013 4.656 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)c(OC[C@H]2CCOC2)c1 ZINC001457620266 1066882039 /nfs/dbraw/zinc/88/20/39/1066882039.db2.gz DCKGNUMTYUSXFI-INIZCTEOSA-N 0 0 457.368 4.513 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c(F)ccc(Br)c1F ZINC001457620784 1066882074 /nfs/dbraw/zinc/88/20/74/1066882074.db2.gz DYLXYPQFXYQKHG-MRVPVSSYSA-N 0 0 451.080 4.990 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1-c1ncco1 ZINC001457621904 1066882635 /nfs/dbraw/zinc/88/26/35/1066882635.db2.gz HLIXLBRKCCKOMN-LJQANCHMSA-N 0 0 454.324 4.656 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C ZINC001457621949 1066882650 /nfs/dbraw/zinc/88/26/50/1066882650.db2.gz WJYXJNMGOFHOEU-CYBMUJFWSA-N 0 0 453.593 4.918 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001457622117 1066883165 /nfs/dbraw/zinc/88/31/65/1066883165.db2.gz ILGBUJFWWAHOLP-LLVKDONJSA-N 0 0 452.274 4.628 20 0 JJADRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(F)(F)c1cccc(Cl)c1Cl)CC3 ZINC001447959871 1066883293 /nfs/dbraw/zinc/88/32/93/1066883293.db2.gz ROQLUYYCFAQPDT-UHFFFAOYSA-N 0 0 453.272 4.938 20 0 JJADRN CCCc1nc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)s1 ZINC001447960786 1066883352 /nfs/dbraw/zinc/88/33/52/1066883352.db2.gz XCFSOSABUVSAIC-UHFFFAOYSA-N 0 0 451.520 4.735 20 0 JJADRN CCc1nc(-c2ccc(C(=O)N3CCC(COc4ccccc4C(F)(F)F)CC3)cc2)n[nH]1 ZINC001447961070 1066883383 /nfs/dbraw/zinc/88/33/83/1066883383.db2.gz DRGJZZIMNNHMDY-UHFFFAOYSA-N 0 0 458.484 4.984 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001457622124 1066883373 /nfs/dbraw/zinc/88/33/73/1066883373.db2.gz ILXHLFZALGGEIP-JTQLQIEISA-N 0 0 454.246 4.937 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)C)cc1 ZINC001492717183 1066883694 /nfs/dbraw/zinc/88/36/94/1066883694.db2.gz MEJOYZXXCYYUCK-UHFFFAOYSA-N 0 0 480.016 4.816 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@H](C)C1 ZINC001492717309 1066883854 /nfs/dbraw/zinc/88/38/54/1066883854.db2.gz QSGAFLOFDKGGKU-MAUKXSAKSA-N 0 0 458.557 4.969 20 0 JJADRN Cc1c(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)nnn1CC1CCCC1 ZINC001447964074 1066883927 /nfs/dbraw/zinc/88/39/27/1066883927.db2.gz LWEOJIBMMBSUGH-UHFFFAOYSA-N 0 0 450.505 4.727 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492717435 1066884231 /nfs/dbraw/zinc/88/42/31/1066884231.db2.gz DXTPIVQUOZUGMP-UHFFFAOYSA-N 0 0 450.631 4.916 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001492717471 1066884359 /nfs/dbraw/zinc/88/43/59/1066884359.db2.gz RSTWTXVPDPTCEQ-YJBOKZPZSA-N 0 0 475.012 4.930 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492717799 1066884838 /nfs/dbraw/zinc/88/48/38/1066884838.db2.gz WMRJAGKSXVSGKN-FOIQADDNSA-N 0 0 495.603 4.952 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(OC(C)C)CC1)Oc1ccccc1F ZINC001546001648 1066884902 /nfs/dbraw/zinc/88/49/02/1066884902.db2.gz QUUBYJAQZJRFAU-NRFANRHFSA-N 0 0 467.589 4.654 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001457626304 1066884911 /nfs/dbraw/zinc/88/49/11/1066884911.db2.gz VKZJQLKJFJZEEG-INIZCTEOSA-N 0 0 457.343 4.852 20 0 JJADRN CCOC(=O)C1(N(C)C(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CCCCC1 ZINC001457627327 1066885014 /nfs/dbraw/zinc/88/50/14/1066885014.db2.gz PKQUSKUSDDWRNK-HSZRJFAPSA-N 0 0 450.579 4.581 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC(C)(C)C ZINC001492717765 1066884953 /nfs/dbraw/zinc/88/49/53/1066884953.db2.gz VQJKFZVPTZKTGR-UHFFFAOYSA-N 0 0 492.624 4.919 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c(OCc2ccccc2)c1 ZINC001457628278 1066885412 /nfs/dbraw/zinc/88/54/12/1066885412.db2.gz MKISJXQYVCWMNU-UHFFFAOYSA-N 0 0 451.544 4.637 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001447969989 1066885414 /nfs/dbraw/zinc/88/54/14/1066885414.db2.gz SIZHTPSCPXLZJJ-AWEZNQCLSA-N 0 0 453.370 4.569 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2COCc2ccccc2)c1 ZINC001457629857 1066885606 /nfs/dbraw/zinc/88/56/06/1066885606.db2.gz IPIGJVHJVNPOMR-LJQANCHMSA-N 0 0 452.576 4.733 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001492717810 1066885523 /nfs/dbraw/zinc/88/55/23/1066885523.db2.gz WRARSHSPKJHCGO-VWNXMTODSA-N 0 0 494.684 4.908 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(C)O ZINC001492717818 1066885554 /nfs/dbraw/zinc/88/55/54/1066885554.db2.gz XDXBDTWEFHLQNP-UHFFFAOYSA-N 0 0 495.853 4.509 20 0 JJADRN Cc1cc(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c(C)c(C)c1O ZINC001447968952 1066885553 /nfs/dbraw/zinc/88/55/53/1066885553.db2.gz RXJCFPIIGRUAME-UHFFFAOYSA-N 0 0 450.988 4.591 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1 ZINC001492717956 1066886066 /nfs/dbraw/zinc/88/60/66/1066886066.db2.gz YOKIGPIEABZBLA-MOPGFXCFSA-N 0 0 472.634 4.830 20 0 JJADRN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001457630533 1066886075 /nfs/dbraw/zinc/88/60/75/1066886075.db2.gz WLMITUAOVHEMNI-KGENOOAVSA-N 0 0 455.482 4.797 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001447975433 1066886231 /nfs/dbraw/zinc/88/62/31/1066886231.db2.gz VGWWIJRJTHSYGJ-HXUWFJFHSA-N 0 0 454.368 4.605 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001447975498 1066886243 /nfs/dbraw/zinc/88/62/43/1066886243.db2.gz WEQTZYBLRFRMJA-FPOVZHCZSA-N 0 0 457.412 4.899 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001546001849 1066886972 /nfs/dbraw/zinc/88/69/72/1066886972.db2.gz VBOYOKUWYSKWNC-GOTSBHOMSA-N 0 0 490.652 4.809 20 0 JJADRN Cc1noc(C)c1CC(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC001457631832 1066886947 /nfs/dbraw/zinc/88/69/47/1066886947.db2.gz GLEMWSGKIJPCJN-UHFFFAOYSA-N 0 0 454.280 4.919 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001457633484 1066887369 /nfs/dbraw/zinc/88/73/69/1066887369.db2.gz LRXVTEOTJXTALI-NRFANRHFSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001492718965 1066887850 /nfs/dbraw/zinc/88/78/50/1066887850.db2.gz BMUSMKMLPYJSKO-UHFFFAOYSA-N 0 0 481.645 4.859 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001492718981 1066887906 /nfs/dbraw/zinc/88/79/06/1066887906.db2.gz BWMUMWZELVETGD-UHFFFAOYSA-N 0 0 477.657 4.640 20 0 JJADRN O=C(c1ccc2[nH]cnc2c1F)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447984688 1066888052 /nfs/dbraw/zinc/88/80/52/1066888052.db2.gz RGNSCZGHIKPKIY-FQEVSTJZSA-N 0 0 455.436 4.679 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492719276 1066888357 /nfs/dbraw/zinc/88/83/57/1066888357.db2.gz GPYDILPDLCYDNL-UHFFFAOYSA-N 0 0 461.536 4.579 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001492719054 1066888398 /nfs/dbraw/zinc/88/83/98/1066888398.db2.gz YAAGBCLEYNLOOV-UUOWRZLLSA-N 0 0 468.621 4.590 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCCO2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492719325 1066888415 /nfs/dbraw/zinc/88/84/15/1066888415.db2.gz HPQJOQBSSBDWNG-IBGZPJMESA-N 0 0 471.675 4.503 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001546002015 1066888530 /nfs/dbraw/zinc/88/85/30/1066888530.db2.gz YFEWQLCLWSVAPU-CPJSRVTESA-N 0 0 487.570 4.987 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc4ncsc4c3)cc2)cc1 ZINC001448003293 1066889195 /nfs/dbraw/zinc/88/91/95/1066889195.db2.gz DQDXIGCAJUNGFV-MRXNPFEDSA-N 0 0 451.573 4.897 20 0 JJADRN CO[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC001457640590 1066889666 /nfs/dbraw/zinc/88/96/66/1066889666.db2.gz BVAFGRVGGRQOPP-RTBURBONSA-N 0 0 455.769 4.755 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C)s2)CCO1 ZINC001546092549 1066889679 /nfs/dbraw/zinc/88/96/79/1066889679.db2.gz BLPGARPQFOFEIJ-VWLOTQADSA-N 0 0 489.686 4.816 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C ZINC001457640994 1066889736 /nfs/dbraw/zinc/88/97/36/1066889736.db2.gz YAQWNQPGSQFPFG-UHFFFAOYSA-N 0 0 453.402 4.649 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492720445 1066889905 /nfs/dbraw/zinc/88/99/05/1066889905.db2.gz PAWSGEJPJVATNM-PGRDOPGGSA-N 0 0 487.048 4.721 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492720467 1066890064 /nfs/dbraw/zinc/89/00/64/1066890064.db2.gz PNAIILYRJQAPLN-JTDSTZFVSA-N 0 0 457.022 4.952 20 0 JJADRN COC(CCCC(C)(C)CNC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)OC ZINC001448019563 1066890499 /nfs/dbraw/zinc/89/04/99/1066890499.db2.gz NRXFPOHJYKLOEI-UHFFFAOYSA-N 0 0 450.963 4.652 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492720539 1066890591 /nfs/dbraw/zinc/89/05/91/1066890591.db2.gz RJRUZWMOSHUWDQ-SJORKVTESA-N 0 0 480.510 4.735 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1 ZINC001492720643 1066890600 /nfs/dbraw/zinc/89/06/00/1066890600.db2.gz WDKUUPRPWQZBBP-IBGZPJMESA-N 0 0 454.594 4.972 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001492720795 1066890950 /nfs/dbraw/zinc/89/09/50/1066890950.db2.gz AZEQBZYFCSGKIX-OAHLLOKOSA-N 0 0 468.403 4.632 20 0 JJADRN CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC001448021155 1066890927 /nfs/dbraw/zinc/89/09/27/1066890927.db2.gz MDRLWKQBCYCCOY-ZHRRBRCNSA-N 0 0 455.521 4.580 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3cc(-c4ccc(OC(F)F)cc4)no3)c2)n1 ZINC001457657490 1066891656 /nfs/dbraw/zinc/89/16/56/1066891656.db2.gz KLEKTQHGDGNWJE-UHFFFAOYSA-N 0 0 451.433 4.906 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C(C)(C)C ZINC001448024278 1066891612 /nfs/dbraw/zinc/89/16/12/1066891612.db2.gz UVYSUQHERQCDAV-QAPCUYQASA-N 0 0 457.537 4.730 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C(C)(C)C ZINC001448024279 1066891618 /nfs/dbraw/zinc/89/16/18/1066891618.db2.gz UVYSUQHERQCDAV-YJBOKZPZSA-N 0 0 457.537 4.730 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC001546092749 1066892191 /nfs/dbraw/zinc/89/21/91/1066892191.db2.gz FGDYLORCKBETKL-NQIIRXRSSA-N 0 0 456.484 4.731 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)cc2)n1 ZINC001448027349 1066892281 /nfs/dbraw/zinc/89/22/81/1066892281.db2.gz LVVUXMZZOMKGOF-UHFFFAOYSA-N 0 0 457.568 4.634 20 0 JJADRN O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001448026885 1066892313 /nfs/dbraw/zinc/89/23/13/1066892313.db2.gz FYEVDUWTCVLDTF-UHFFFAOYSA-N 0 0 456.468 4.653 20 0 JJADRN O=C(N1CCO[C@@H](c2ccc(F)cc2F)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001448028199 1066892361 /nfs/dbraw/zinc/89/23/61/1066892361.db2.gz YHOHXDPCKISQEE-IFMALSPDSA-N 0 0 455.423 4.533 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001457662419 1066892652 /nfs/dbraw/zinc/89/26/52/1066892652.db2.gz VYMOEQVDWPJXLX-WBMJQRKESA-N 0 0 459.413 4.826 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001448034625 1066892772 /nfs/dbraw/zinc/89/27/72/1066892772.db2.gz XLSCQXVNCZVTIV-JOCHJYFZSA-N 0 0 451.405 4.679 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492721488 1066892840 /nfs/dbraw/zinc/89/28/40/1066892840.db2.gz AFRHXWHVWCMJJD-FGZHOGPDSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)CSc1nccn1-c1ccccc1C)CC2 ZINC001448031327 1066892834 /nfs/dbraw/zinc/89/28/34/1066892834.db2.gz OMIWNMHXPLJHJT-UHFFFAOYSA-N 0 0 456.409 4.929 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc(Br)c(F)cc1N)CC2 ZINC001448031337 1066892919 /nfs/dbraw/zinc/89/29/19/1066892919.db2.gz OWDICFHKUWMLFP-UHFFFAOYSA-N 0 0 450.308 4.720 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3CCc4c(Br)cc(C)cc4C3)n2)c1 ZINC001448031234 1066892933 /nfs/dbraw/zinc/89/29/33/1066892933.db2.gz NJOPBGASXLDUGA-UHFFFAOYSA-N 0 0 458.381 4.793 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H](C1CCCCC1)C2 ZINC001457664234 1066893291 /nfs/dbraw/zinc/89/32/91/1066893291.db2.gz QAADMAWDMVDLJT-CJAUYULYSA-N 0 0 455.620 4.736 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)OC(C)C ZINC001448048898 1066893351 /nfs/dbraw/zinc/89/33/51/1066893351.db2.gz IMSIFRZBHFVYEM-PKTZIBPZSA-N 0 0 456.583 4.852 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001448049199 1066893445 /nfs/dbraw/zinc/89/34/45/1066893445.db2.gz NONQKBPBZUAXLP-HXOBKFHXSA-N 0 0 451.950 4.993 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CCCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492722865 1066893765 /nfs/dbraw/zinc/89/37/65/1066893765.db2.gz SLUDETLTIPUTJT-UHFFFAOYSA-N 0 0 464.658 4.636 20 0 JJADRN CC1(C)[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@H]1OCc1ccccc1 ZINC001448053275 1066894079 /nfs/dbraw/zinc/89/40/79/1066894079.db2.gz SFFBGANDOPAARX-SFTDATJTSA-N 0 0 454.368 4.953 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001448053726 1066894086 /nfs/dbraw/zinc/89/40/86/1066894086.db2.gz YGQJRAKAXGCQIN-VWLOTQADSA-N 0 0 454.526 4.820 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492723013 1066894298 /nfs/dbraw/zinc/89/42/98/1066894298.db2.gz XOVBTJJUMOOFPV-BFUOFWGJSA-N 0 0 466.939 4.556 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC001457669724 1066894443 /nfs/dbraw/zinc/89/44/43/1066894443.db2.gz QVXMLFKFTRYWRK-ZDUSSCGKSA-N 0 0 458.381 4.951 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC(C)C ZINC001492723001 1066894445 /nfs/dbraw/zinc/89/44/45/1066894445.db2.gz XELMDOOVGQHLGR-UHFFFAOYSA-N 0 0 451.402 4.655 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 ZINC001492723434 1066894453 /nfs/dbraw/zinc/89/44/53/1066894453.db2.gz NSMUXUILHWAZOV-ICSRJNTNSA-N 0 0 483.617 4.539 20 0 JJADRN NC(=O)C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1Cl ZINC001457675473 1066895328 /nfs/dbraw/zinc/89/53/28/1066895328.db2.gz OWPRDRMOIVXVGE-QHCPKHFHSA-N 0 0 458.949 4.598 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)C2CCCCC2)n(C)n1 ZINC001492725116 1066895829 /nfs/dbraw/zinc/89/58/29/1066895829.db2.gz SMORTPFYFLPRLF-UHFFFAOYSA-N 0 0 457.420 4.875 20 0 JJADRN Cn1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc(Cl)c1=O ZINC001457682521 1066896507 /nfs/dbraw/zinc/89/65/07/1066896507.db2.gz NVFFQGIJVVOLAG-UHFFFAOYSA-N 0 0 451.679 4.985 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@@H](C)[C@@H](C)C2)n(C)n1 ZINC001492725835 1066896546 /nfs/dbraw/zinc/89/65/46/1066896546.db2.gz VLBQLRRDJGACKD-MJGOQNOKSA-N 0 0 471.049 4.824 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H]2CC=CCC2)n(C)n1 ZINC001492727162 1066896634 /nfs/dbraw/zinc/89/66/34/1066896634.db2.gz JSHAINSBCLKJSD-GOSISDBHSA-N 0 0 485.430 4.502 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001492727703 1066896997 /nfs/dbraw/zinc/89/69/97/1066896997.db2.gz DJUZHQORJZNKKT-QFIPXVFZSA-N 0 0 491.684 4.631 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccoc2C)n(C)n1 ZINC001492727340 1066897036 /nfs/dbraw/zinc/89/70/36/1066897036.db2.gz OZMZUVBBRKKXIV-UHFFFAOYSA-N 0 0 462.598 4.783 20 0 JJADRN Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(F)F)C2)n(C)n1 ZINC001492727222 1066897155 /nfs/dbraw/zinc/89/71/55/1066897155.db2.gz LBJJITAPZCRZKO-HNNXBMFYSA-N 0 0 466.989 4.796 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(C)C)C2)n(C)n1 ZINC001492727597 1066897177 /nfs/dbraw/zinc/89/71/77/1066897177.db2.gz ZTVCUEAWRFOWAT-INIZCTEOSA-N 0 0 463.413 4.736 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1)c1cccc(Br)c1 ZINC001448077610 1066897473 /nfs/dbraw/zinc/89/74/73/1066897473.db2.gz HLVKXRPXBKHDST-NRFANRHFSA-N 0 0 457.368 4.733 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492728125 1066897556 /nfs/dbraw/zinc/89/75/56/1066897556.db2.gz UHUNEZXXFZNGQX-UHFFFAOYSA-N 0 0 498.056 4.618 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[C@@](C)(O)c3ccccc3)C2)n1 ZINC001492728359 1066897726 /nfs/dbraw/zinc/89/77/26/1066897726.db2.gz BHDYDXPKMJANSX-BKMJKUGQSA-N 0 0 450.631 4.528 20 0 JJADRN COCCNc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001457688637 1066897848 /nfs/dbraw/zinc/89/78/48/1066897848.db2.gz IFEXFIZHZHJUCS-UHFFFAOYSA-N 0 0 452.555 4.582 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OCC ZINC001448081270 1066898084 /nfs/dbraw/zinc/89/80/84/1066898084.db2.gz YHZMQNYQXMBGIR-SFHVURJKSA-N 0 0 454.995 4.903 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1OCC ZINC001448081268 1066898125 /nfs/dbraw/zinc/89/81/25/1066898125.db2.gz YHZMQNYQXMBGIR-GOSISDBHSA-N 0 0 454.995 4.903 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c(Cl)c1 ZINC001457689523 1066898377 /nfs/dbraw/zinc/89/83/77/1066898377.db2.gz GHBOGXZVKQRASP-IBGZPJMESA-N 0 0 454.954 4.975 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccccc3Cl)C2)n1 ZINC001492729098 1066898649 /nfs/dbraw/zinc/89/86/49/1066898649.db2.gz UNTLDXZVALGROH-DVECYGJZSA-N 0 0 457.022 4.617 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)C)nnc2N(C)CCC2CCOCC2)n1 ZINC001492729109 1066898663 /nfs/dbraw/zinc/89/86/63/1066898663.db2.gz UYGVSBIWDAFZED-UHFFFAOYSA-N 0 0 450.631 4.580 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)F)n1 ZINC001492729010 1066898745 /nfs/dbraw/zinc/89/87/45/1066898745.db2.gz RWEXYKSPDVTWCQ-UHFFFAOYSA-N 0 0 471.943 4.936 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2Br)c2ccccc2OC)cc1 ZINC001546002670 1066898792 /nfs/dbraw/zinc/89/87/92/1066898792.db2.gz RVQLZOJGRYUKSU-HXUWFJFHSA-N 0 0 458.356 4.832 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC001457692899 1066899043 /nfs/dbraw/zinc/89/90/43/1066899043.db2.gz ICUDJHZHBXMTRB-HNNXBMFYSA-N 0 0 450.461 4.680 20 0 JJADRN COc1cccc2c1CC[C@H]2NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457692751 1066899065 /nfs/dbraw/zinc/89/90/65/1066899065.db2.gz OPLZEGOPRKJTMA-OAQYLSRUSA-N 0 0 456.951 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[C@H]2C[C@H]21 ZINC001448098118 1066899331 /nfs/dbraw/zinc/89/93/31/1066899331.db2.gz SOQIUJHORXZGLW-MTHXSQLBSA-N 0 0 464.990 4.776 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ccccc2N1 ZINC001457696094 1066899425 /nfs/dbraw/zinc/89/94/25/1066899425.db2.gz PRZZWZSFZFXYRO-QHCPKHFHSA-N 0 0 455.624 4.737 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cn1)c1ccccc1 ZINC001448097894 1066899476 /nfs/dbraw/zinc/89/94/76/1066899476.db2.gz HSYXSMCTOOGVTM-QGZVFWFLSA-N 0 0 456.468 4.598 20 0 JJADRN O=C(CCc1ccccc1)N1CCCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC001457699053 1066899484 /nfs/dbraw/zinc/89/94/84/1066899484.db2.gz YILKKMWGVQBLQY-UHFFFAOYSA-N 0 0 458.558 4.551 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492729810 1066899859 /nfs/dbraw/zinc/89/98/59/1066899859.db2.gz KOZSNXPOXFJCEW-VQIMIIECSA-N 0 0 477.535 4.647 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCSCC(F)(F)F)C2)n1 ZINC001492730416 1066900659 /nfs/dbraw/zinc/90/06/59/1066900659.db2.gz VUTDYKDCVODLEH-SFHVURJKSA-N 0 0 499.994 4.944 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492730382 1066900768 /nfs/dbraw/zinc/90/07/68/1066900768.db2.gz VHWOHWWKPXOGDL-URXFXBBRSA-N 0 0 457.022 4.660 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NOC1CCCCC1 ZINC001448109782 1066900851 /nfs/dbraw/zinc/90/08/51/1066900851.db2.gz JULBWQFIOWCWGE-UHFFFAOYSA-N 0 0 457.379 4.717 20 0 JJADRN CC(=O)Nc1sc(NC(=O)c2cc(Br)cc3[nH]cnc32)nc1-c1ccccc1 ZINC001448112083 1066900949 /nfs/dbraw/zinc/90/09/49/1066900949.db2.gz AJNJZYYBJHVZBR-UHFFFAOYSA-N 0 0 456.325 4.660 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC001457709604 1066901155 /nfs/dbraw/zinc/90/11/55/1066901155.db2.gz QIZBTVHIEJEWNM-UHFFFAOYSA-N 0 0 459.453 4.673 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1 ZINC001448116357 1066901348 /nfs/dbraw/zinc/90/13/48/1066901348.db2.gz GTZLFZQBBIINBD-UHFFFAOYSA-N 0 0 450.442 4.833 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448115622 1066901364 /nfs/dbraw/zinc/90/13/64/1066901364.db2.gz FDKJOWKFRZPOML-MGPUTAFESA-N 0 0 450.526 4.731 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2ccn(C3CCCC3)n2)ccc1OCc1c(C)noc1C ZINC001457709500 1066901412 /nfs/dbraw/zinc/90/14/12/1066901412.db2.gz ADPGEYLTTJISCV-PKNBQFBNSA-N 0 0 450.539 4.520 20 0 JJADRN CCNC(=O)c1cc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)nc2ccccc21 ZINC001457708801 1066901442 /nfs/dbraw/zinc/90/14/42/1066901442.db2.gz KZRYCILYEKPTPX-UHFFFAOYSA-N 0 0 459.575 4.518 20 0 JJADRN CC[C@@]1(CO)CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001448118207 1066901615 /nfs/dbraw/zinc/90/16/15/1066901615.db2.gz YBGBDUPLROPVGD-RBBKRZOGSA-N 0 0 450.348 4.719 20 0 JJADRN Cn1cc(-c2cccc(C(=O)Nc3cccc(Oc4ncc(Br)cn4)c3)c2)cn1 ZINC001457709758 1066901725 /nfs/dbraw/zinc/90/17/25/1066901725.db2.gz FXHNOLNCUYXVMR-UHFFFAOYSA-N 0 0 450.296 4.684 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CSc4ccc(Cl)cc4)n3CC(F)(F)F)C2)n1 ZINC001492731173 1066901891 /nfs/dbraw/zinc/90/18/91/1066901891.db2.gz NABDSXZLZAMQGJ-MRXNPFEDSA-N 0 0 485.967 4.836 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC001448120566 1066901931 /nfs/dbraw/zinc/90/19/31/1066901931.db2.gz ONLRWRSYYACETD-UHFFFAOYSA-N 0 0 450.279 4.834 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)c3cc(Br)ccc3Br)nc2c1 ZINC001448123646 1066901972 /nfs/dbraw/zinc/90/19/72/1066901972.db2.gz OUUQOIRFEAUCCM-VIFPVBQESA-N 0 0 453.134 4.588 20 0 JJADRN CC(=O)Nc1sc(NC(=O)C2(c3cncc(Br)c3)CC2)nc1-c1ccccc1 ZINC001448123051 1066902021 /nfs/dbraw/zinc/90/20/21/1066902021.db2.gz OWERZNCHTZYITM-UHFFFAOYSA-N 0 0 457.353 4.596 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001492731215 1066901947 /nfs/dbraw/zinc/90/19/47/1066901947.db2.gz ODBFFKRVYAGOQE-NRFANRHFSA-N 0 0 490.574 4.544 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(CS(C)(=O)=O)c(F)c3)c21 ZINC001457712880 1066902146 /nfs/dbraw/zinc/90/21/46/1066902146.db2.gz QTSGAOBUEHJXCQ-UHFFFAOYSA-N 0 0 457.483 4.542 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001546002928 1066902457 /nfs/dbraw/zinc/90/24/57/1066902457.db2.gz ACICTSWZPPUMCE-FCHUYYIVSA-N 0 0 499.656 4.668 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCSC1)NC(=O)OC(C)(C)C ZINC001546002923 1066902515 /nfs/dbraw/zinc/90/25/15/1066902515.db2.gz AAEIFBVYXGWDOA-RTBURBONSA-N 0 0 484.670 4.595 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)NCc1ccn(C2CCCC2)n1 ZINC001457713118 1066902561 /nfs/dbraw/zinc/90/25/61/1066902561.db2.gz WLEASCCMZGRKGB-UHFFFAOYSA-N 0 0 451.352 4.632 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC(C)(C)C(F)(F)F)n1 ZINC001492732085 1066903789 /nfs/dbraw/zinc/90/37/89/1066903789.db2.gz IYRXZTMEAYFRRW-INIZCTEOSA-N 0 0 450.509 4.631 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC(C)(C)C(F)(F)F)n1 ZINC001492732086 1066903800 /nfs/dbraw/zinc/90/38/00/1066903800.db2.gz IYRXZTMEAYFRRW-MRXNPFEDSA-N 0 0 450.509 4.631 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2Cc2cccc(C(C)(C)O)c2)n1 ZINC001492732028 1066903825 /nfs/dbraw/zinc/90/38/25/1066903825.db2.gz HMFJKSNHPGWXQO-LJQANCHMSA-N 0 0 464.639 4.674 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(F)ccc1I)c1ccco1 ZINC001457717269 1066903870 /nfs/dbraw/zinc/90/38/70/1066903870.db2.gz FXKYJPJTQYWWFG-SFHVURJKSA-N 0 0 451.235 4.551 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001457717362 1066903913 /nfs/dbraw/zinc/90/39/13/1066903913.db2.gz SESSAVVVRGRGEI-GOSISDBHSA-N 0 0 452.408 4.858 20 0 JJADRN C[C@@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c2ccccc21 ZINC001448133141 1066903918 /nfs/dbraw/zinc/90/39/18/1066903918.db2.gz RQHIRFVIEACSGD-OYLFLEFRSA-N 0 0 457.958 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCc2cc(F)cc(F)c2)n1 ZINC001492732131 1066904112 /nfs/dbraw/zinc/90/41/12/1066904112.db2.gz JMXBIKWNCZLCAV-KRWDZBQOSA-N 0 0 456.566 4.920 20 0 JJADRN COc1ccc(N(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1Cl ZINC001457720102 1066904339 /nfs/dbraw/zinc/90/43/39/1066904339.db2.gz HHPVESJXQCQVNX-UHFFFAOYSA-N 0 0 454.939 4.944 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2C[C@@H](C)c2nccs2)n1 ZINC001492732259 1066904567 /nfs/dbraw/zinc/90/45/67/1066904567.db2.gz MEVXJEWZYZHRFY-PBHICJAKSA-N 0 0 471.581 4.876 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC[C@H]2CCCCO2)n1 ZINC001492732302 1066904747 /nfs/dbraw/zinc/90/47/47/1066904747.db2.gz MTCRIOJVJWWYNO-UYAOXDASSA-N 0 0 458.557 4.575 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)c1ccco1 ZINC001457724240 1066904718 /nfs/dbraw/zinc/90/47/18/1066904718.db2.gz YEGRZIZQEIXIPH-JOCHJYFZSA-N 0 0 452.507 4.532 20 0 JJADRN O=C(c1ccccc1SCc1ccc(Br)cc1)N1CCC(O)(C(F)F)CC1 ZINC001448161380 1066905187 /nfs/dbraw/zinc/90/51/87/1066905187.db2.gz GLLOHQGBTJKZKI-UHFFFAOYSA-N 0 0 456.352 4.974 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC001457724710 1066905173 /nfs/dbraw/zinc/90/51/73/1066905173.db2.gz KVOAKENOZOZOKV-HMNCIZAVSA-N 0 0 452.599 4.865 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001457729326 1066905574 /nfs/dbraw/zinc/90/55/74/1066905574.db2.gz TWCBHUZETKVKCF-XMMPIXPASA-N 0 0 450.579 4.837 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)CCCCCNC(=O)OC(C)(C)C ZINC001457729301 1066905595 /nfs/dbraw/zinc/90/55/95/1066905595.db2.gz DTDTZGWVMJRPIM-UHFFFAOYSA-N 0 0 453.381 4.842 20 0 JJADRN C[C@@H](C1CC1)n1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cn1 ZINC001448163265 1066905650 /nfs/dbraw/zinc/90/56/50/1066905650.db2.gz LWNKTGNOYGXLFG-ZDUSSCGKSA-N 0 0 457.328 4.643 20 0 JJADRN COC(=O)c1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 ZINC001457729153 1066905681 /nfs/dbraw/zinc/90/56/81/1066905681.db2.gz YMHVBOOWIXIRST-UHFFFAOYSA-N 0 0 453.951 4.825 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)cc1 ZINC001457730926 1066905811 /nfs/dbraw/zinc/90/58/11/1066905811.db2.gz KXKUPYNOORCKFM-MRDQGFSESA-N 0 0 458.514 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@@H](C)c2c(C)noc2C)n1 ZINC001492732860 1066906181 /nfs/dbraw/zinc/90/61/81/1066906181.db2.gz XCOPGMQNBFPXOI-BEFAXECRSA-N 0 0 465.577 4.885 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001546003210 1066906289 /nfs/dbraw/zinc/90/62/89/1066906289.db2.gz FOAHXOPPKQKMJM-OXQOHEQNSA-N 0 0 473.618 4.634 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)[C@H]1Oc1ccccc1 ZINC001448168609 1066906348 /nfs/dbraw/zinc/90/63/48/1066906348.db2.gz XMXZWEXXMQBWKF-MDNUFGMLSA-N 0 0 452.576 4.952 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCSC3)n2Cc2c(C)sc(C)c2Br)n1 ZINC001492733122 1066906471 /nfs/dbraw/zinc/90/64/71/1066906471.db2.gz CFOPYZYQGYULHI-MRXNPFEDSA-N 0 0 495.516 4.571 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCCCC3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492733238 1066906524 /nfs/dbraw/zinc/90/65/24/1066906524.db2.gz GCDPIVSDLNNFCQ-UHFFFAOYSA-N 0 0 477.657 4.942 20 0 JJADRN CCOC1CC2(C[C@H]2C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC001448173278 1066906613 /nfs/dbraw/zinc/90/66/13/1066906613.db2.gz MKFZPLJNGVLBGU-VIHIWDAPSA-N 0 0 451.407 4.829 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)cc1 ZINC001457734543 1066906770 /nfs/dbraw/zinc/90/67/70/1066906770.db2.gz BPXKAIZGUOJFEI-DEOSSOPVSA-N 0 0 454.636 4.750 20 0 JJADRN CCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001448178940 1066907045 /nfs/dbraw/zinc/90/70/45/1066907045.db2.gz SKISQCYCNQUZFL-GOSISDBHSA-N 0 0 452.580 4.793 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC001457738296 1066907864 /nfs/dbraw/zinc/90/78/64/1066907864.db2.gz LXAWLMIDIADALT-CTNGQTDRSA-N 0 0 458.942 4.540 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCO[C@H]2CCCC[C@H]2C)n1 ZINC001492735027 1066908337 /nfs/dbraw/zinc/90/83/37/1066908337.db2.gz HXSOBIKNQODKNR-HXOBKFHXSA-N 0 0 472.584 4.650 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001448190061 1066908442 /nfs/dbraw/zinc/90/84/42/1066908442.db2.gz NQSULVFZZDEOOE-FQEVSTJZSA-N 0 0 459.631 4.530 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)OC ZINC001546003338 1066908607 /nfs/dbraw/zinc/90/86/07/1066908607.db2.gz HUWDUEDQJBYHCR-GMAHTHKFSA-N 0 0 496.681 4.702 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC001457742866 1066908580 /nfs/dbraw/zinc/90/85/80/1066908580.db2.gz CTGZPZWKNGBYDJ-CYFREDJKSA-N 0 0 456.533 4.726 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)OCc3noc(-c4cccc(Cl)c4)n3)CC2=O)cc1 ZINC001457743229 1066908899 /nfs/dbraw/zinc/90/88/99/1066908899.db2.gz SKGARNDUCLEGLS-GOSISDBHSA-N 0 0 453.926 4.829 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001457743758 1066908956 /nfs/dbraw/zinc/90/89/56/1066908956.db2.gz KMRJWCLLKQEPFO-UHFFFAOYSA-N 0 0 455.845 4.807 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001546003478 1066909394 /nfs/dbraw/zinc/90/93/94/1066909394.db2.gz KGOAWKVLACMEIL-DENIHFKCSA-N 0 0 487.645 4.883 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@H]2CCC[C@@H]2C)n1 ZINC001492735611 1066909515 /nfs/dbraw/zinc/90/95/15/1066909515.db2.gz CHOXXMLBOLRDAT-WMLDXEAASA-N 0 0 461.408 4.568 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001457746855 1066909760 /nfs/dbraw/zinc/90/97/60/1066909760.db2.gz KXQHOABKVMAEQM-XOBRGWDASA-N 0 0 450.760 4.912 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](c3cccc(F)c3)c3cccc(Br)c3)c12 ZINC001457747079 1066909878 /nfs/dbraw/zinc/90/98/78/1066909878.db2.gz HOVDEUZZQCSNPP-FQEVSTJZSA-N 0 0 453.315 4.996 20 0 JJADRN CN(CCO)Cc1cc(NC(=O)c2cc3cc(Br)ccc3s2)ccc1Cl ZINC001448215300 1066909789 /nfs/dbraw/zinc/90/97/89/1066909789.db2.gz BTLPNOQLFJVWFD-UHFFFAOYSA-N 0 0 453.789 4.994 20 0 JJADRN Cn1c2cccc(Cl)c2nc1NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001457750165 1066910580 /nfs/dbraw/zinc/91/05/80/1066910580.db2.gz YNEXWZNBOSAOFX-UHFFFAOYSA-N 0 0 456.930 4.609 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 ZINC001448225253 1066910587 /nfs/dbraw/zinc/91/05/87/1066910587.db2.gz HGYHVOPDYORPCF-LJQANCHMSA-N 0 0 452.982 4.761 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CC[C@@H](F)C2)n1 ZINC001492736236 1066910619 /nfs/dbraw/zinc/91/06/19/1066910619.db2.gz YVMKOCORGVGWQC-AZUAARDMSA-N 0 0 464.511 4.933 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492736200 1066910807 /nfs/dbraw/zinc/91/08/07/1066910807.db2.gz XWZQFIRJZXTVFS-QZTJIDSGSA-N 0 0 450.509 4.971 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(C)c1N ZINC001448224430 1066910780 /nfs/dbraw/zinc/91/07/80/1066910780.db2.gz BSXVKNISLFLFQM-IBGZPJMESA-N 0 0 459.974 4.673 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(Cl)cc(C)c1N ZINC001448224520 1066910892 /nfs/dbraw/zinc/91/08/92/1066910892.db2.gz BSXVKNISLFLFQM-LJQANCHMSA-N 0 0 459.974 4.673 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Cl)n2Cc2cnn(CC(C)C)c2C)n1 ZINC001492736407 1066911129 /nfs/dbraw/zinc/91/11/29/1066911129.db2.gz FSJAKSLUADJQMU-UHFFFAOYSA-N 0 0 481.048 4.639 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492736295 1066911205 /nfs/dbraw/zinc/91/12/05/1066911205.db2.gz BIYAORIFTIGDDL-UGKGYDQZSA-N 0 0 456.660 4.679 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492736292 1066911219 /nfs/dbraw/zinc/91/12/19/1066911219.db2.gz BIYAORIFTIGDDL-DENIHFKCSA-N 0 0 456.660 4.679 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC001492736299 1066911244 /nfs/dbraw/zinc/91/12/44/1066911244.db2.gz BJSROCATSVHVRD-ZCYQVOJMSA-N 0 0 450.631 4.536 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 ZINC001448229345 1066911178 /nfs/dbraw/zinc/91/11/78/1066911178.db2.gz QMTWXNYFWIKLBL-OAHLLOKOSA-N 0 0 453.808 4.734 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546003850 1066911233 /nfs/dbraw/zinc/91/12/33/1066911233.db2.gz RFSQBZSPMLRMLY-RTWAWAEBSA-N 0 0 496.656 4.659 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc(I)ccc1Cl)C(C)(C)C ZINC001457752047 1066911649 /nfs/dbraw/zinc/91/16/49/1066911649.db2.gz FGKLRGYFFNOCSO-ZDUSSCGKSA-N 0 0 451.732 4.887 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3c2cccc3Cl)[C@H]1c1ccc(OC)cc1 ZINC001457752637 1066911670 /nfs/dbraw/zinc/91/16/70/1066911670.db2.gz BXAVEQJQJGPVAM-XKCSPQBFSA-N 0 0 456.970 4.678 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(OC)C1)Oc1cccc(F)c1 ZINC001546003902 1066911567 /nfs/dbraw/zinc/91/15/67/1066911567.db2.gz SATHJOWNVRARAL-RDPSFJRHSA-N 0 0 473.618 4.636 20 0 JJADRN CN(CCO)Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)ccc1Cl ZINC001448229414 1066911598 /nfs/dbraw/zinc/91/15/98/1066911598.db2.gz RSJAOLKNCXNHBB-UHFFFAOYSA-N 0 0 451.792 4.587 20 0 JJADRN CO[C@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C1 ZINC001448229549 1066911690 /nfs/dbraw/zinc/91/16/90/1066911690.db2.gz MMBYOXRAMIJTJB-UXHICEINSA-N 0 0 450.579 4.721 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(OC)C1)Oc1cccc(F)c1 ZINC001546003903 1066911745 /nfs/dbraw/zinc/91/17/45/1066911745.db2.gz SATHJOWNVRARAL-YKSBVNFPSA-N 0 0 473.618 4.636 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001448230179 1066911795 /nfs/dbraw/zinc/91/17/95/1066911795.db2.gz ONSDZSPFYGRGPL-BDTNDASRSA-N 0 0 454.542 4.758 20 0 JJADRN COc1cc(C(=O)Nc2cc(I)ccc2Cl)ccc1OC(F)F ZINC001457752985 1066911991 /nfs/dbraw/zinc/91/19/91/1066911991.db2.gz MRRICKLBPVETLL-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[C@@H]2CCCCO2)n1 ZINC001492736841 1066912070 /nfs/dbraw/zinc/91/20/70/1066912070.db2.gz WCNQZLFLNKWTKV-QFIPXVFZSA-N 0 0 457.022 4.779 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492737041 1066912436 /nfs/dbraw/zinc/91/24/36/1066912436.db2.gz CNIVDXMQPPKXHN-SJORKVTESA-N 0 0 467.565 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492736988 1066912447 /nfs/dbraw/zinc/91/24/47/1066912447.db2.gz ASCMQKOGFCYXDO-BBRMVZONSA-N 0 0 467.565 4.688 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)c1 ZINC001457757291 1066912817 /nfs/dbraw/zinc/91/28/17/1066912817.db2.gz BPOIYSCIVCKUHZ-FOWTUZBSSA-N 0 0 453.457 4.933 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001492737410 1066912831 /nfs/dbraw/zinc/91/28/31/1066912831.db2.gz RLYSJIHVUQRCIF-UHFFFAOYSA-N 0 0 479.654 4.624 20 0 JJADRN CCn1ncc(C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)c1Br ZINC001457758319 1066913105 /nfs/dbraw/zinc/91/31/05/1066913105.db2.gz AARZPFFPQAXJDX-UHFFFAOYSA-N 0 0 453.178 4.900 20 0 JJADRN C[C@@H](CC(=O)Nc1ncc(C2(O)CCCCC2)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457762072 1066913417 /nfs/dbraw/zinc/91/34/17/1066913417.db2.gz NZLRRAJYBNLRPN-IRXDYDNUSA-N 0 0 451.633 4.907 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)c1 ZINC001457762461 1066913502 /nfs/dbraw/zinc/91/35/02/1066913502.db2.gz MUSNTWXGTMZLQY-UHFFFAOYSA-N 0 0 455.473 4.808 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(C)C)cc12 ZINC001448236961 1066913482 /nfs/dbraw/zinc/91/34/82/1066913482.db2.gz ADDFTYGIIGCOQJ-HRAATJIYSA-N 0 0 454.640 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c2ccccc21 ZINC001448237122 1066913635 /nfs/dbraw/zinc/91/36/35/1066913635.db2.gz UTJNBLDGBDEMBL-YMPZKCBVSA-N 0 0 452.551 4.846 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492739064 1066913683 /nfs/dbraw/zinc/91/36/83/1066913683.db2.gz TWRRREXYEKPNQA-HUUCEWRRSA-N 0 0 452.447 4.822 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)Cc2ccc(Cl)cc2Br)c1 ZINC001457764633 1066913858 /nfs/dbraw/zinc/91/38/58/1066913858.db2.gz QHXQXZSWZKHPGG-UHFFFAOYSA-N 0 0 456.764 4.590 20 0 JJADRN O=C(Nc1ncc(C2(O)CCCCC2)s1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001457764191 1066913976 /nfs/dbraw/zinc/91/39/76/1066913976.db2.gz WVENNQHZHVSCCH-CYBMUJFWSA-N 0 0 454.379 4.593 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC001492740059 1066914943 /nfs/dbraw/zinc/91/49/43/1066914943.db2.gz GYRVURLXHDEMFV-UHFFFAOYSA-N 0 0 478.563 5.000 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2Cc2ccc(C)s2)n1 ZINC001492740079 1066915017 /nfs/dbraw/zinc/91/50/17/1066915017.db2.gz HOSANVIADSVNGA-UHFFFAOYSA-N 0 0 471.030 4.727 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 ZINC001457771117 1066915151 /nfs/dbraw/zinc/91/51/51/1066915151.db2.gz BEUBSHFHVLFUAH-PXNSSMCTSA-N 0 0 455.769 4.894 20 0 JJADRN Cc1c(Br)cncc1C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 ZINC001457770034 1066915192 /nfs/dbraw/zinc/91/51/92/1066915192.db2.gz NHCGCTGZPVTCLK-UHFFFAOYSA-N 0 0 458.341 4.506 20 0 JJADRN CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)c(O)c(C(C)C)c1 ZINC001448279574 1066915793 /nfs/dbraw/zinc/91/57/93/1066915793.db2.gz NSOBTOVINQQOML-HXUWFJFHSA-N 0 0 459.384 4.715 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)N1CCN[C@H](c2ccccc2Cl)C1 ZINC001448280592 1066916208 /nfs/dbraw/zinc/91/62/08/1066916208.db2.gz OEEXZYYLFXZZIC-FQEVSTJZSA-N 0 0 451.792 4.825 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC001448280597 1066916229 /nfs/dbraw/zinc/91/62/29/1066916229.db2.gz OEEXZYYLFXZZIC-HXUWFJFHSA-N 0 0 451.792 4.825 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001492740735 1066916188 /nfs/dbraw/zinc/91/61/88/1066916188.db2.gz GJAHIFZPUAUSIU-WMZHIEFXSA-N 0 0 454.619 4.743 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001457774138 1066916494 /nfs/dbraw/zinc/91/64/94/1066916494.db2.gz CXYFGPHPDFSMCL-QHCPKHFHSA-N 0 0 458.942 4.852 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1ccc(OC)c(Br)n1)[C@@H](c1ccccc1)C2 ZINC001457774522 1066916582 /nfs/dbraw/zinc/91/65/82/1066916582.db2.gz OUKFXMLXILNYAG-HXUWFJFHSA-N 0 0 453.336 4.801 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001492741097 1066916538 /nfs/dbraw/zinc/91/65/38/1066916538.db2.gz SCWXESCLIQQJBM-JOCHJYFZSA-N 0 0 499.660 4.697 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2nccc(Cl)c2F)[C@@H](c2cccc(Cl)c2)C1 ZINC001448292739 1066916752 /nfs/dbraw/zinc/91/67/52/1066916752.db2.gz HRXQEZDBWBTWFN-MRXNPFEDSA-N 0 0 454.329 4.962 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001457775589 1066917056 /nfs/dbraw/zinc/91/70/56/1066917056.db2.gz UGKOZGILWFDOCC-UZLBHIALSA-N 0 0 450.362 4.962 20 0 JJADRN COc1ccc(C=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 ZINC001448307216 1066917008 /nfs/dbraw/zinc/91/70/08/1066917008.db2.gz XJFNQIFIISCVCO-HXUWFJFHSA-N 0 0 458.942 4.595 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001448306771 1066917052 /nfs/dbraw/zinc/91/70/52/1066917052.db2.gz OKFGGRBOJKKBIQ-JOCHJYFZSA-N 0 0 451.364 4.969 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCC2)cc1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775901 1066917333 /nfs/dbraw/zinc/91/73/33/1066917333.db2.gz VVXXIXZBLMMVBZ-INIZCTEOSA-N 0 0 454.375 4.613 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775942 1066917445 /nfs/dbraw/zinc/91/74/45/1066917445.db2.gz WAFVYAFUVBRHCZ-GOSISDBHSA-N 0 0 458.345 4.659 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H](C)COCc2ccccc2)n1 ZINC001492741899 1066917518 /nfs/dbraw/zinc/91/75/18/1066917518.db2.gz IQNZRKZVFLDZFF-NHCUHLMSSA-N 0 0 464.658 4.865 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCCO[C@@H](C)c2ccccc2)n1 ZINC001492742076 1066917579 /nfs/dbraw/zinc/91/75/79/1066917579.db2.gz LGKRLTOWAFIOHK-VIZSFHNOSA-N 0 0 450.631 4.790 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC001457778610 1066917916 /nfs/dbraw/zinc/91/79/16/1066917916.db2.gz YWNNYOCYTHCDLT-LLVKDONJSA-N 0 0 452.761 4.983 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1OCC(F)F ZINC001457781304 1066918379 /nfs/dbraw/zinc/91/83/79/1066918379.db2.gz IBPUTMAMVVUMNL-LJQANCHMSA-N 0 0 459.493 4.886 20 0 JJADRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001457780519 1066918386 /nfs/dbraw/zinc/91/83/86/1066918386.db2.gz HAEZEMXGYHHBPU-UHFFFAOYSA-N 0 0 456.468 4.895 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492742919 1066918497 /nfs/dbraw/zinc/91/84/97/1066918497.db2.gz JVBJXOJNJKLGRR-RBKXMNCYSA-N 0 0 483.705 4.514 20 0 JJADRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001457784126 1066918880 /nfs/dbraw/zinc/91/88/80/1066918880.db2.gz XVWSFARMAOPPJG-HSZRJFAPSA-N 0 0 455.518 4.916 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001492743137 1066918781 /nfs/dbraw/zinc/91/87/81/1066918781.db2.gz MXJXSZZUUQZRIS-GOSISDBHSA-N 0 0 475.012 4.884 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2Cc2sccc2Br)n1 ZINC001492743134 1066918867 /nfs/dbraw/zinc/91/88/67/1066918867.db2.gz VVMWMZUHUKVAQH-UKRRQHHQSA-N 0 0 463.449 4.637 20 0 JJADRN O=C(c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)N(CCO)Cc1cccnc1Cl ZINC001448355714 1066919072 /nfs/dbraw/zinc/91/90/72/1066919072.db2.gz NSUBMJNEYWUVRV-UHFFFAOYSA-N 0 0 451.741 4.815 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](CC(C)C)n2ccnc2)cc1 ZINC001448354228 1066919081 /nfs/dbraw/zinc/91/90/81/1066919081.db2.gz MKKAQNYDSHMZKW-PKTZIBPZSA-N 0 0 454.615 4.853 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)s1)Nc1ccccc1 ZINC001448358770 1066919497 /nfs/dbraw/zinc/91/94/97/1066919497.db2.gz WFCRNJYHJXSUQA-FQEVSTJZSA-N 0 0 458.543 4.725 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C[C@H](O)c2cccc(F)c2)cc1 ZINC001448359784 1066919902 /nfs/dbraw/zinc/91/99/02/1066919902.db2.gz UORNDZDOKUIMAQ-PKTZIBPZSA-N 0 0 456.558 4.632 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492744561 1066920055 /nfs/dbraw/zinc/92/00/55/1066920055.db2.gz RZWXOSZMIXUOMK-VWLOTQADSA-N 0 0 482.648 4.911 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@H]2C)n1 ZINC001492744443 1066920128 /nfs/dbraw/zinc/92/01/28/1066920128.db2.gz OVQMMEVSGUWHBM-OXQOHEQNSA-N 0 0 468.568 4.514 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492744560 1066920159 /nfs/dbraw/zinc/92/01/59/1066920159.db2.gz RZWXOSZMIXUOMK-RUZDIDTESA-N 0 0 482.648 4.911 20 0 JJADRN O=C(Nc1cc(O)c(Br)cc1Br)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001457788244 1066920182 /nfs/dbraw/zinc/92/01/82/1066920182.db2.gz RGXWITURLUAWJJ-UHFFFAOYSA-N 0 0 455.081 4.699 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c(C)n1 ZINC001457788627 1066920238 /nfs/dbraw/zinc/92/02/38/1066920238.db2.gz LFNHVNZLXWCHTB-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2cccc(OCC(F)(F)F)c2)n1 ZINC001492744736 1066920439 /nfs/dbraw/zinc/92/04/39/1066920439.db2.gz XBMOSBCCBXQDAC-SJORKVTESA-N 0 0 476.547 4.611 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCSCc2ccccc2F)n1 ZINC001492745160 1066920621 /nfs/dbraw/zinc/92/06/21/1066920621.db2.gz IESIUAVLGHVGCY-QZTJIDSGSA-N 0 0 456.635 4.695 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3ccc(Cl)cc32)[C@@H]1c1ccc(OC)cc1 ZINC001457789017 1066920646 /nfs/dbraw/zinc/92/06/46/1066920646.db2.gz LBTHOLFAGLAKSE-LEEZEASISA-N 0 0 456.970 4.678 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492745207 1066920899 /nfs/dbraw/zinc/92/08/99/1066920899.db2.gz JEYMHVBAWQPJKC-LJQANCHMSA-N 0 0 455.676 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492745194 1066921012 /nfs/dbraw/zinc/92/10/12/1066921012.db2.gz JDCXSCJHCHMLBS-DHIUTWEWSA-N 0 0 499.704 4.659 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCc2cc(Br)ccc2F)n1 ZINC001492745256 1066921039 /nfs/dbraw/zinc/92/10/39/1066921039.db2.gz KANHVLFLJZYBHA-HOTGVXAUSA-N 0 0 489.437 4.766 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3ccc4[nH]c(=O)n(CC(F)(F)F)c4c3)c2)cn1 ZINC001448381945 1066921264 /nfs/dbraw/zinc/92/12/64/1066921264.db2.gz MXOOCZSGWYTHMY-UHFFFAOYSA-N 0 0 456.424 4.936 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(c4ccccc4)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001492745432 1066921247 /nfs/dbraw/zinc/92/12/47/1066921247.db2.gz OQJAZDAOQYJAHU-MHZLTWQESA-N 0 0 464.658 4.711 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccc(OC(F)F)cc2)n1 ZINC001492745403 1066921262 /nfs/dbraw/zinc/92/12/62/1066921262.db2.gz NGSFNPOLWMOIRY-UHFFFAOYSA-N 0 0 498.500 4.958 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457790849 1066921630 /nfs/dbraw/zinc/92/16/30/1066921630.db2.gz NNOIDUFPEOBLKQ-GFCCVEGCSA-N 0 0 453.262 4.866 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cnc(Cc2ccc(F)cc2)s1 ZINC001457790684 1066921697 /nfs/dbraw/zinc/92/16/97/1066921697.db2.gz LXMGVGPGOLSTPQ-NRFANRHFSA-N 0 0 452.551 4.700 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001457790902 1066921791 /nfs/dbraw/zinc/92/17/91/1066921791.db2.gz NWYKMGSSDSSAFJ-QWHCGFSZSA-N 0 0 456.346 4.927 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)C(C)(C)C ZINC001448387345 1066922028 /nfs/dbraw/zinc/92/20/28/1066922028.db2.gz XHWSAGBFLSYRQL-OAHLLOKOSA-N 0 0 455.477 4.628 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1cccc(Br)c1Cl ZINC001457793466 1066922128 /nfs/dbraw/zinc/92/21/28/1066922128.db2.gz VNABHFDEHDBDDV-SFHVURJKSA-N 0 0 450.760 4.929 20 0 JJADRN COc1ccc(CCCCC(=O)N2CCc3c(F)cc(Br)cc3C2)cc1OC ZINC001457791391 1066922210 /nfs/dbraw/zinc/92/22/10/1066922210.db2.gz UNPXQFMYWWOMRW-UHFFFAOYSA-N 0 0 450.348 4.903 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)n2CCCC(C)C)n1 ZINC001492746929 1066922117 /nfs/dbraw/zinc/92/21/17/1066922117.db2.gz KDMLDLRKXXTDFE-UHFFFAOYSA-N 0 0 496.635 4.506 20 0 JJADRN COc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c(Cl)c1 ZINC001448394700 1066922552 /nfs/dbraw/zinc/92/25/52/1066922552.db2.gz POHFIJCTXWMSQM-OAHLLOKOSA-N 0 0 452.654 4.593 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4cccc(F)c4[C@H]3C)n2CCCC(F)(F)F)n1 ZINC001492747711 1066922541 /nfs/dbraw/zinc/92/25/41/1066922541.db2.gz JXDIMLXRBMAPJC-MRXNPFEDSA-N 0 0 450.484 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)[C@H](c2cccnc2)C1 ZINC001448398840 1066922921 /nfs/dbraw/zinc/92/29/21/1066922921.db2.gz DOIUWAMWAJRALG-SFTDATJTSA-N 0 0 457.958 4.517 20 0 JJADRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001457798323 1066922989 /nfs/dbraw/zinc/92/29/89/1066922989.db2.gz RVEKPVFHJBMSHN-UHFFFAOYSA-N 0 0 450.535 4.754 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)CC[C@@H]3CC3(Cl)Cl)c2C(=O)N2CCOCC2)C1 ZINC001457799388 1066923205 /nfs/dbraw/zinc/92/32/05/1066923205.db2.gz YFDXIJSDEFITTG-CYBMUJFWSA-N 0 0 459.439 4.648 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F ZINC001448403727 1066923603 /nfs/dbraw/zinc/92/36/03/1066923603.db2.gz ZDQZKLZTKHPTRU-GFCCVEGCSA-N 0 0 458.608 4.863 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546005563 1066923799 /nfs/dbraw/zinc/92/37/99/1066923799.db2.gz FBVDIMRNTXANFR-FCHUYYIVSA-N 0 0 487.714 4.944 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)[C@@H](C)C(=O)Nc1ncccc1O ZINC001457800510 1066923758 /nfs/dbraw/zinc/92/37/58/1066923758.db2.gz CLBWYZXWFAQGHE-HZPDHXFCSA-N 0 0 458.493 4.535 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)CC2)c1 ZINC001448403854 1066923839 /nfs/dbraw/zinc/92/38/39/1066923839.db2.gz AVTINGSKCBQHSS-UHFFFAOYSA-N 0 0 450.510 4.881 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492749038 1066923877 /nfs/dbraw/zinc/92/38/77/1066923877.db2.gz SNQMLJWLIDPDAI-PKTZIBPZSA-N 0 0 450.631 4.788 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1nnc(-c2ccccc2)s1)c1ccccc1 ZINC001457803972 1066924038 /nfs/dbraw/zinc/92/40/38/1066924038.db2.gz NFUKCOSAHOUXAH-LJQANCHMSA-N 0 0 452.580 4.868 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1nnc(-c2ccccc2)s1)c1ccccc1 ZINC001457803951 1066924050 /nfs/dbraw/zinc/92/40/50/1066924050.db2.gz NFUKCOSAHOUXAH-IBGZPJMESA-N 0 0 452.580 4.868 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC001457803381 1066924096 /nfs/dbraw/zinc/92/40/96/1066924096.db2.gz OVQMXKZTLRDYHH-JOCHJYFZSA-N 0 0 457.534 4.699 20 0 JJADRN CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)OC ZINC001546005621 1066924097 /nfs/dbraw/zinc/92/40/97/1066924097.db2.gz GDENZBLYFWGUAP-NRFANRHFSA-N 0 0 490.574 4.935 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Br)c(CC)c2)c1 ZINC001448406821 1066924191 /nfs/dbraw/zinc/92/41/91/1066924191.db2.gz SYMFHMUCFQUNSY-UHFFFAOYSA-N 0 0 453.402 4.651 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]1CSC)NC(=O)OC(C)(C)C ZINC001546005618 1066924219 /nfs/dbraw/zinc/92/42/19/1066924219.db2.gz GBHOVZGBBSLCTQ-SFTDATJTSA-N 0 0 473.687 4.698 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492749213 1066924215 /nfs/dbraw/zinc/92/42/15/1066924215.db2.gz WLRVEYHVLBRNJL-HSZRJFAPSA-N 0 0 492.672 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448408417 1066924601 /nfs/dbraw/zinc/92/46/01/1066924601.db2.gz HVFLFJSIEHPFKX-ZSEKCTLFSA-N 0 0 451.976 4.864 20 0 JJADRN CC/C(=C/C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)c1ccc(OC)cc1 ZINC001448408079 1066924638 /nfs/dbraw/zinc/92/46/38/1066924638.db2.gz UMRAPJNAORNFNG-NMJXDZPISA-N 0 0 451.567 4.704 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC001457807269 1066924886 /nfs/dbraw/zinc/92/48/86/1066924886.db2.gz QYNJITHOMNTIEF-UHFFFAOYSA-N 0 0 454.979 4.997 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@H]1CCCN1c1ncccn1 ZINC001448409220 1066924926 /nfs/dbraw/zinc/92/49/26/1066924926.db2.gz XMNUQQJJVZDXHF-GOSISDBHSA-N 0 0 457.303 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492750100 1066925075 /nfs/dbraw/zinc/92/50/75/1066925075.db2.gz PVVPJVBQOIHWNU-NQIIRXRSSA-N 0 0 470.687 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)C1 ZINC001457808454 1066925321 /nfs/dbraw/zinc/92/53/21/1066925321.db2.gz VOFPHMHVKDXXLO-PHIMTYICSA-N 0 0 454.752 4.893 20 0 JJADRN CC[C@@H](CNc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001457811744 1066925796 /nfs/dbraw/zinc/92/57/96/1066925796.db2.gz CVYDKZPHTLOYBX-UXHICEINSA-N 0 0 457.574 4.921 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC001457811407 1066925809 /nfs/dbraw/zinc/92/58/09/1066925809.db2.gz CCSNOVZNXXVYEK-LJQANCHMSA-N 0 0 451.489 4.793 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@H](NCc1ccccc1)C(F)(F)F ZINC001457811404 1066925875 /nfs/dbraw/zinc/92/58/75/1066925875.db2.gz CCSNOVZNXXVYEK-IBGZPJMESA-N 0 0 451.489 4.793 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001546005942 1066926370 /nfs/dbraw/zinc/92/63/70/1066926370.db2.gz MCVMSFNJTKRMLB-SFHVURJKSA-N 0 0 463.445 4.949 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)n2CCC(C)C)n1 ZINC001492752227 1066926387 /nfs/dbraw/zinc/92/63/87/1066926387.db2.gz GDNWTTLFBQFHBE-UHFFFAOYSA-N 0 0 475.563 4.531 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCc2ccccc2OC(F)F)n1 ZINC001492751332 1066926506 /nfs/dbraw/zinc/92/65/06/1066926506.db2.gz YEBREKULOPQPOC-QGZVFWFLSA-N 0 0 458.557 4.610 20 0 JJADRN Cc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC001448432733 1066926701 /nfs/dbraw/zinc/92/67/01/1066926701.db2.gz QPOUAXBRXBTYRX-GOSISDBHSA-N 0 0 458.267 4.970 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)s1 ZINC001448432187 1066926744 /nfs/dbraw/zinc/92/67/44/1066926744.db2.gz DMLHULVOLOWRDO-UHFFFAOYSA-N 0 0 459.587 4.926 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001448435749 1066927090 /nfs/dbraw/zinc/92/70/90/1066927090.db2.gz JGAOUDVIYUBGQG-YFROGGPOSA-N 0 0 452.422 4.876 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(Cl)s4)C3)n2CCCC(C)C)n1 ZINC001492754789 1066927152 /nfs/dbraw/zinc/92/71/52/1066927152.db2.gz IKBAFXVXVXZMKJ-SFHVURJKSA-N 0 0 463.051 4.869 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2CCC(C(F)(F)F)CC2)n1 ZINC001492754798 1066927190 /nfs/dbraw/zinc/92/71/90/1066927190.db2.gz IREICGTXKDERFP-VIQWUECVSA-N 0 0 468.568 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001448434860 1066927233 /nfs/dbraw/zinc/92/72/33/1066927233.db2.gz SSTRRYLGUDLZHK-IBGZPJMESA-N 0 0 451.405 4.945 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492755644 1066927636 /nfs/dbraw/zinc/92/76/36/1066927636.db2.gz FTCDXWPMJZNTOX-HXUWFJFHSA-N 0 0 496.578 4.924 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2CCCCC(F)(F)C2)n1 ZINC001492756336 1066927959 /nfs/dbraw/zinc/92/79/59/1066927959.db2.gz YEFWXNGQMPLQAS-VQTJNVASSA-N 0 0 466.646 4.933 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546006055 1066928036 /nfs/dbraw/zinc/92/80/36/1066928036.db2.gz OCWLOFVBFYSEFJ-VQTJNVASSA-N 0 0 457.619 4.901 20 0 JJADRN O=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CC(c2ccc(Cl)cc2)C1 ZINC001457825557 1066928443 /nfs/dbraw/zinc/92/84/43/1066928443.db2.gz ZPNRSFXPFYVLAG-UHFFFAOYSA-N 0 0 453.029 4.642 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001457822030 1066928518 /nfs/dbraw/zinc/92/85/18/1066928518.db2.gz ZCSPUGBYRSSOKG-LBPRGKRZSA-N 0 0 454.151 4.987 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CCN2)cc1 ZINC001448447715 1066928448 /nfs/dbraw/zinc/92/84/48/1066928448.db2.gz GCVVGTWQCDOIIN-MRXNPFEDSA-N 0 0 459.281 4.956 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@@H](C)COCc3ccccc3)CC2)n1 ZINC001492757695 1066928497 /nfs/dbraw/zinc/92/84/97/1066928497.db2.gz KKTJPUJCGKRNHO-OAQYLSRUSA-N 0 0 464.658 4.984 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)NC[C@@H](NCc3ccccc3)C(F)(F)F)cc21 ZINC001457825834 1066928857 /nfs/dbraw/zinc/92/88/57/1066928857.db2.gz LHZBBTVDTWPYRN-QGZVFWFLSA-N 0 0 454.290 4.689 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(F)cc3C(F)(F)F)C2)n1 ZINC001492758028 1066929288 /nfs/dbraw/zinc/92/92/88/1066929288.db2.gz SRTSUQWOKQVNIL-GOSISDBHSA-N 0 0 493.553 4.808 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CCN2)cc1 ZINC001448454270 1066929290 /nfs/dbraw/zinc/92/92/90/1066929290.db2.gz ULVGONAXSNMUDQ-NRFANRHFSA-N 0 0 454.640 4.548 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC001457827665 1066929416 /nfs/dbraw/zinc/92/94/16/1066929416.db2.gz HHJOCVDAOMHYOW-CQSZACIVSA-N 0 0 459.534 4.746 20 0 JJADRN CCCOc1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cc1OCCC ZINC001448451744 1066929488 /nfs/dbraw/zinc/92/94/88/1066929488.db2.gz DENLTVPJOFLJHS-QFIPXVFZSA-N 0 0 450.373 4.664 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546006150 1066929524 /nfs/dbraw/zinc/92/95/24/1066929524.db2.gz QANMWXVOYGDSBQ-FGZHOGPDSA-N 0 0 475.678 4.567 20 0 JJADRN O=C([C@H]1C[C@H](c2ccccc2)OC1=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448461045 1066929806 /nfs/dbraw/zinc/92/98/06/1066929806.db2.gz USHQFZKBDSHNLV-VQIMIIECSA-N 0 0 451.416 4.677 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448460793 1066929819 /nfs/dbraw/zinc/92/98/19/1066929819.db2.gz QHZABVSBUUHABN-GJZGRUSLSA-N 0 0 460.468 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448455720 1066929900 /nfs/dbraw/zinc/92/99/00/1066929900.db2.gz LGLGQJYGAZXVSU-RLFYNMQTSA-N 0 0 472.479 4.628 20 0 JJADRN Cc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2Br)c(Sc2ccccc2)n1 ZINC001448465447 1066930401 /nfs/dbraw/zinc/93/04/01/1066930401.db2.gz XOFCARWKVYPKBU-JOCHJYFZSA-N 0 0 457.393 4.941 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCCC(C)C)C2)n1 ZINC001492757843 1066930481 /nfs/dbraw/zinc/93/04/81/1066930481.db2.gz ONEHZYATBUMIHQ-JOCHJYFZSA-N 0 0 453.610 4.569 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(COc4ccc(C)c(C)c4)n3CC(F)(F)F)CC2)n1 ZINC001492759121 1066930531 /nfs/dbraw/zinc/93/05/31/1066930531.db2.gz WRXNCNUECDUVCG-UHFFFAOYSA-N 0 0 476.547 4.766 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCC[C@H](C)CCO)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457833028 1066930540 /nfs/dbraw/zinc/93/05/40/1066930540.db2.gz KHDKZSDOPOPVRN-SFHVURJKSA-N 0 0 452.624 4.795 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457834534 1066930579 /nfs/dbraw/zinc/93/05/79/1066930579.db2.gz QKFSKNLXPSBDLZ-WTNAPCKOSA-N 0 0 451.449 4.904 20 0 JJADRN Cc1ccccc1-c1nc(COC(=O)c2cc(Br)ccc2Br)no1 ZINC001457837399 1066930945 /nfs/dbraw/zinc/93/09/45/1066930945.db2.gz CLVWOHPFSPDDIL-UHFFFAOYSA-N 0 0 452.102 4.927 20 0 JJADRN O=C(NCCc1cccc(C(F)(F)F)n1)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC001457835654 1066931024 /nfs/dbraw/zinc/93/10/24/1066931024.db2.gz SLIIUQNLDWDHRL-UHFFFAOYSA-N 0 0 453.420 4.707 20 0 JJADRN CC[C@@H](COCC(F)(F)F)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC001457837071 1066931044 /nfs/dbraw/zinc/93/10/44/1066931044.db2.gz WQNMXVQTNMFAFV-XJKSGUPXSA-N 0 0 457.320 4.612 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448478286 1066931010 /nfs/dbraw/zinc/93/10/10/1066931010.db2.gz DREJSKOMFCBWBC-HNNXBMFYSA-N 0 0 450.942 4.898 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CC2)n1 ZINC001492758919 1066931236 /nfs/dbraw/zinc/93/12/36/1066931236.db2.gz PZLAMOOMUAXDJH-AREMUKBSSA-N 0 0 485.076 4.768 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc(Br)c4)n3CC(F)(F)F)CC2)n1 ZINC001492758809 1066931294 /nfs/dbraw/zinc/93/12/94/1066931294.db2.gz NSDRRAFVWJUISN-UHFFFAOYSA-N 0 0 497.363 5.000 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001546006564 1066931470 /nfs/dbraw/zinc/93/14/70/1066931470.db2.gz XLUWEXUNYUGQGI-TUNNFDKTSA-N 0 0 455.647 4.991 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006731 1066931561 /nfs/dbraw/zinc/93/15/61/1066931561.db2.gz ZUCMABUACCRGIK-IFMALSPDSA-N 0 0 469.630 4.582 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)c3ccccc3F)CCO2)n1 ZINC001492759612 1066931645 /nfs/dbraw/zinc/93/16/45/1066931645.db2.gz IRBVFTISKHEVTH-NRFANRHFSA-N 0 0 482.648 4.702 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC001457847309 1066931941 /nfs/dbraw/zinc/93/19/41/1066931941.db2.gz DLPIBEWASZPRCT-UYAOXDASSA-N 0 0 474.579 4.647 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492760343 1066931890 /nfs/dbraw/zinc/93/18/90/1066931890.db2.gz BGZUFQZJZAOQIM-SFTDATJTSA-N 0 0 487.048 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001448485832 1066932012 /nfs/dbraw/zinc/93/20/12/1066932012.db2.gz JTEMSQXMPJNHHS-YZGWKJHDSA-N 0 0 480.447 4.618 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2C)n1 ZINC001492760329 1066931958 /nfs/dbraw/zinc/93/19/58/1066931958.db2.gz BBMPZBSCZIZWAI-HSZRJFAPSA-N 0 0 490.656 4.617 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2CCOC(C)(C)[C@@H]2C)n1 ZINC001492760356 1066931979 /nfs/dbraw/zinc/93/19/79/1066931979.db2.gz BTKQAQYEHMYGEZ-SFHVURJKSA-N 0 0 487.446 4.615 20 0 JJADRN CCC1(c2ccccc2)CN(C(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC001457848178 1066931984 /nfs/dbraw/zinc/93/19/84/1066931984.db2.gz ASFCUYQDCWCOIQ-UHFFFAOYSA-N 0 0 452.551 4.739 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N(C)Cc2cscn2)n1 ZINC001492760388 1066932212 /nfs/dbraw/zinc/93/22/12/1066932212.db2.gz CYVSWASLSWLLRE-UHFFFAOYSA-N 0 0 486.443 4.704 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NCCCO[C@@H]2CCOC2)c2nc3ccccc3s2)c1 ZINC001457856702 1066932336 /nfs/dbraw/zinc/93/23/36/1066932336.db2.gz JSPOMCQTAHURGE-LUDQZLGDSA-N 0 0 452.576 4.547 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC001448490592 1066932606 /nfs/dbraw/zinc/93/26/06/1066932606.db2.gz ZURIWPIKINWTJN-CQSZACIVSA-N 0 0 453.376 4.897 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1(C)C ZINC001448490489 1066932815 /nfs/dbraw/zinc/93/28/15/1066932815.db2.gz YFSSHWUBWWIAER-RJESQKRESA-N 0 0 452.595 4.910 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cn(C)nc3-c3ccc(Cl)s3)cc2c(OC)c1 ZINC001457859789 1066932911 /nfs/dbraw/zinc/93/29/11/1066932911.db2.gz NMWWILOYXRWKHH-UHFFFAOYSA-N 0 0 458.971 4.663 20 0 JJADRN C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448490693 1066932851 /nfs/dbraw/zinc/93/28/51/1066932851.db2.gz WFTNBHGXKHGXBG-MRXNPFEDSA-N 0 0 451.464 4.790 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[C@H](C)C2)n1 ZINC001492760737 1066933147 /nfs/dbraw/zinc/93/31/47/1066933147.db2.gz PGMHMHGQHFBQDW-IYBDPMFKSA-N 0 0 457.420 4.703 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492760753 1066933196 /nfs/dbraw/zinc/93/31/96/1066933196.db2.gz PUCHBNVNOZQZTG-QGZVFWFLSA-N 0 0 475.460 4.553 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1Br ZINC001457867354 1066933179 /nfs/dbraw/zinc/93/31/79/1066933179.db2.gz FUSZXLDTZIGMJQ-UHFFFAOYSA-N 0 0 457.168 4.691 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)[C@@H]2C)n1 ZINC001492760588 1066933204 /nfs/dbraw/zinc/93/32/04/1066933204.db2.gz KLCLWVYKGQIEJB-YJBOKZPZSA-N 0 0 457.420 4.846 20 0 JJADRN O=C(NCCc1ccccc1OC(F)(F)F)c1cc(Br)ccc1OC(F)F ZINC001457860818 1066933310 /nfs/dbraw/zinc/93/33/10/1066933310.db2.gz IPWKSXGKZGDZEU-UHFFFAOYSA-N 0 0 454.189 4.922 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001457869494 1066933710 /nfs/dbraw/zinc/93/37/10/1066933710.db2.gz AOQUAILWNZOBKC-UHFFFAOYSA-N 0 0 454.611 4.899 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCCc1ccccc1OC(F)(F)F ZINC001457868141 1066933730 /nfs/dbraw/zinc/93/37/30/1066933730.db2.gz QMWGDPREEHDNMO-SJORKVTESA-N 0 0 454.445 4.508 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(F)cc2)n1 ZINC001492761053 1066933939 /nfs/dbraw/zinc/93/39/39/1066933939.db2.gz YQHLUOMUTAESDR-UHFFFAOYSA-N 0 0 486.393 4.715 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)[C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001457870692 1066933956 /nfs/dbraw/zinc/93/39/56/1066933956.db2.gz CZHGXERKMUFQAG-QGZVFWFLSA-N 0 0 450.501 4.640 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001448504021 1066934067 /nfs/dbraw/zinc/93/40/67/1066934067.db2.gz SLQMZZYCSWIDAP-ZDUSSCGKSA-N 0 0 454.552 4.536 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(C)cc2OCC)[C@H]1c1ccc(OC)cc1 ZINC001457872377 1066934062 /nfs/dbraw/zinc/93/40/62/1066934062.db2.gz VLJPUVFZDFKMFR-JYFHCDHNSA-N 0 0 452.595 4.799 20 0 JJADRN Cc1cc(C)n(CCCn2c(C3CCCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492761416 1066934316 /nfs/dbraw/zinc/93/43/16/1066934316.db2.gz LYXZZPSVAOXXEZ-QFIPXVFZSA-N 0 0 485.677 4.675 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC001492761412 1066934327 /nfs/dbraw/zinc/93/43/27/1066934327.db2.gz LYBULTDQCSQSTL-IBGZPJMESA-N 0 0 494.537 4.870 20 0 JJADRN Cc1ccc([C@@H](O)CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC001448506621 1066934638 /nfs/dbraw/zinc/93/46/38/1066934638.db2.gz GZIMMNNWLFESMN-HNNXBMFYSA-N 0 0 457.374 4.682 20 0 JJADRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001448507201 1066934698 /nfs/dbraw/zinc/93/46/98/1066934698.db2.gz HJQFSKVVWPSFIM-CTYIDZIISA-N 0 0 457.374 4.999 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Br)cc2)n1 ZINC001492762190 1066934674 /nfs/dbraw/zinc/93/46/74/1066934674.db2.gz IVKMKFYGHDYILK-UHFFFAOYSA-N 0 0 494.441 4.566 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001457877039 1066934830 /nfs/dbraw/zinc/93/48/30/1066934830.db2.gz OAGAWFFPZIIWRL-UHFFFAOYSA-N 0 0 450.501 4.784 20 0 JJADRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC001457879142 1066934848 /nfs/dbraw/zinc/93/48/48/1066934848.db2.gz GWXVKGVNPIEFLW-LLVKDONJSA-N 0 0 452.324 4.793 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492762224 1066935135 /nfs/dbraw/zinc/93/51/35/1066935135.db2.gz KBGLIEPLRVPQRG-UHFFFAOYSA-N 0 0 462.598 4.915 20 0 JJADRN C[C@H](NC(=O)[C@H]1SCCc2sccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881840 1066935261 /nfs/dbraw/zinc/93/52/61/1066935261.db2.gz BQFLXKFAZBRAPE-BONVTDFDSA-N 0 0 450.383 4.768 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001492762455 1066935453 /nfs/dbraw/zinc/93/54/53/1066935453.db2.gz RXXXGVKXONWODF-UHFFFAOYSA-N 0 0 464.511 4.690 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC001492762618 1066935464 /nfs/dbraw/zinc/93/54/64/1066935464.db2.gz YJQDJTRRZOCCLV-TWHAJKEOSA-N 0 0 499.704 4.967 20 0 JJADRN COCc1c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)cnn1-c1ccccc1 ZINC001457884684 1066936086 /nfs/dbraw/zinc/93/60/86/1066936086.db2.gz HGRBEGJNTGPJFV-UHFFFAOYSA-N 0 0 456.276 4.857 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(Br)cc4)n3CC(C)(C)C(C)C)CCO2)o1 ZINC001492764583 1066936108 /nfs/dbraw/zinc/93/61/08/1066936108.db2.gz JVLGBZRFFVVRHC-SFHVURJKSA-N 0 0 489.418 4.659 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)cc1 ZINC001448534159 1066936296 /nfs/dbraw/zinc/93/62/96/1066936296.db2.gz BNXDOBDXWOEKJL-GVAUOCQISA-N 0 0 450.604 4.514 20 0 JJADRN C[C@@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457886727 1066936560 /nfs/dbraw/zinc/93/65/60/1066936560.db2.gz RNKUDGOIDLHUNQ-RDTXWAMCSA-N 0 0 456.340 4.884 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001492765298 1066936548 /nfs/dbraw/zinc/93/65/48/1066936548.db2.gz CGEDUTURPWJAIW-LBPRGKRZSA-N 0 0 497.488 4.566 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC001448536279 1066936801 /nfs/dbraw/zinc/93/68/01/1066936801.db2.gz GHLSMZXOWIHMNJ-GOSISDBHSA-N 0 0 457.502 4.642 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)N(C(=O)OCc2ccccc2)C1 ZINC001457889363 1066936776 /nfs/dbraw/zinc/93/67/76/1066936776.db2.gz ZCEOGHVGCXVFPZ-QUCCMNQESA-N 0 0 450.457 4.546 20 0 JJADRN Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)ccc12 ZINC001457888011 1066936788 /nfs/dbraw/zinc/93/67/88/1066936788.db2.gz PTLNXHFFQUQQLR-UHFFFAOYSA-N 0 0 458.244 4.705 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC001492765455 1066936913 /nfs/dbraw/zinc/93/69/13/1066936913.db2.gz HPXNWJCIDIGNSK-RHSMWYFYSA-N 0 0 492.491 4.854 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2C[C@H](C)[C@@H](C)C2)s1 ZINC001492765438 1066937020 /nfs/dbraw/zinc/93/70/20/1066937020.db2.gz HFMQHBUOBDEGSP-KBPBESRZSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc(Cl)n1 ZINC001457891597 1066937151 /nfs/dbraw/zinc/93/71/51/1066937151.db2.gz BHPSHUKWZIRZCE-QGZVFWFLSA-N 0 0 457.880 4.944 20 0 JJADRN Cc1cc(C(=O)NCc2cc(C)ccc2OC(F)F)nn1-c1ccccc1Br ZINC001457891860 1066937207 /nfs/dbraw/zinc/93/72/07/1066937207.db2.gz ZFBKEMOECWOULH-UHFFFAOYSA-N 0 0 450.283 4.783 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001448536824 1066937227 /nfs/dbraw/zinc/93/72/27/1066937227.db2.gz RVIPIHLDPJYNKJ-QFIPXVFZSA-N 0 0 451.567 4.642 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546007785 1066937678 /nfs/dbraw/zinc/93/76/78/1066937678.db2.gz FFNXNCAHLGGILO-PZJWPPBQSA-N 0 0 466.630 4.821 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N(CCc3ccc(F)cc3)C3CCCC3)cn2)cc1OC ZINC001457892841 1066937704 /nfs/dbraw/zinc/93/77/04/1066937704.db2.gz QSKNHBCBTWTAAV-UHFFFAOYSA-N 0 0 451.542 4.715 20 0 JJADRN COC(C)(C)CN(C)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001457894568 1066937739 /nfs/dbraw/zinc/93/77/39/1066937739.db2.gz ZLIBSSZYTASJBX-IBGZPJMESA-N 0 0 450.579 4.531 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1 ZINC001448541939 1066937890 /nfs/dbraw/zinc/93/78/90/1066937890.db2.gz RPMWGWOYLIGWDA-UHFFFAOYSA-N 0 0 453.474 4.646 20 0 JJADRN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)n[nH]1 ZINC001457895150 1066938005 /nfs/dbraw/zinc/93/80/05/1066938005.db2.gz SSYWLUYCOCTFBM-UHFFFAOYSA-N 0 0 459.735 4.643 20 0 JJADRN O=C(CCc1ccccc1Br)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001448544171 1066938262 /nfs/dbraw/zinc/93/82/62/1066938262.db2.gz AVODDQPJZKGJQA-UHFFFAOYSA-N 0 0 459.384 4.547 20 0 JJADRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001448544163 1066938281 /nfs/dbraw/zinc/93/82/81/1066938281.db2.gz AVHZLSMYBLKPFW-UHFFFAOYSA-N 0 0 451.527 4.665 20 0 JJADRN Cc1cc(C(=O)CCC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(C)s1 ZINC001448544819 1066938321 /nfs/dbraw/zinc/93/83/21/1066938321.db2.gz LEVFNAWDLZMRCN-UHFFFAOYSA-N 0 0 451.592 4.764 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001448553446 1066938698 /nfs/dbraw/zinc/93/86/98/1066938698.db2.gz RCCJUOIWOOKERI-QHCPKHFHSA-N 0 0 458.986 4.908 20 0 JJADRN COC(=O)c1c(Cl)ccc(C)c1NC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC001457901253 1066938782 /nfs/dbraw/zinc/93/87/82/1066938782.db2.gz GWDKRVIEPFGEHT-UHFFFAOYSA-N 0 0 454.939 4.855 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)NCc3cc4c(cc3OC(F)F)OCO4)c2)c1 ZINC001457902573 1066938860 /nfs/dbraw/zinc/93/88/60/1066938860.db2.gz GRDHTAUXCGYIBN-UHFFFAOYSA-N 0 0 455.457 4.763 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001492766442 1066938933 /nfs/dbraw/zinc/93/89/33/1066938933.db2.gz MRLMPGJQHSGSJU-SFHVURJKSA-N 0 0 464.998 4.741 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001492766418 1066939064 /nfs/dbraw/zinc/93/90/64/1066939064.db2.gz LWIBTEZXOXZHQS-UHFFFAOYSA-N 0 0 464.586 4.897 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)C3=Cc4cc(Br)ccc4OC3)n2)ccc1F ZINC001457904636 1066939194 /nfs/dbraw/zinc/93/91/94/1066939194.db2.gz NKMUZIFICNPBHH-GFCCVEGCSA-N 0 0 458.287 4.600 20 0 JJADRN CCc1noc(CCCC(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)n1 ZINC001448554086 1066939269 /nfs/dbraw/zinc/93/92/69/1066939269.db2.gz WSJNXIDTKYOHBI-UHFFFAOYSA-N 0 0 456.465 4.637 20 0 JJADRN CCOC[C@@H](C(=O)OC)N(C)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C)cc1)CC2 ZINC001457904269 1066939396 /nfs/dbraw/zinc/93/93/96/1066939396.db2.gz HZCFTXGTQUHXAK-JTENEOOYSA-N 0 0 458.558 4.680 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492766789 1066939325 /nfs/dbraw/zinc/93/93/25/1066939325.db2.gz WPFSKQYFBNXTDN-GOSISDBHSA-N 0 0 464.561 4.749 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)s1 ZINC001492766755 1066939338 /nfs/dbraw/zinc/93/93/38/1066939338.db2.gz VTUBCAWIPIZJTF-YJBOKZPZSA-N 0 0 460.673 4.687 20 0 JJADRN Cc1nnc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492766731 1066939361 /nfs/dbraw/zinc/93/93/61/1066939361.db2.gz VHVVTAYXTTZTGA-UHFFFAOYSA-N 0 0 467.401 4.700 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC001492766763 1066939461 /nfs/dbraw/zinc/93/94/61/1066939461.db2.gz VYXWPAYTZMMVRH-URXFXBBRSA-N 0 0 468.671 4.873 20 0 JJADRN CC(=O)Nc1cccc(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1 ZINC001448554241 1066939334 /nfs/dbraw/zinc/93/93/34/1066939334.db2.gz XQELLNQUGDQJQN-UHFFFAOYSA-N 0 0 451.445 4.941 20 0 JJADRN CN(C)[C@@H](C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)c1ccccc1 ZINC001448554001 1066939473 /nfs/dbraw/zinc/93/94/73/1066939473.db2.gz WCFIGRFAQOBZCU-LJQANCHMSA-N 0 0 451.489 4.972 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)s1 ZINC001492766752 1066939527 /nfs/dbraw/zinc/93/95/27/1066939527.db2.gz VTUBCAWIPIZJTF-CRAIPNDOSA-N 0 0 460.673 4.687 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC001492766764 1066939536 /nfs/dbraw/zinc/93/95/36/1066939536.db2.gz VYXWPAYTZMMVRH-XUZZJYLKSA-N 0 0 468.671 4.873 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001457909922 1066940077 /nfs/dbraw/zinc/94/00/77/1066940077.db2.gz GHQJZADIOIBHEH-YWZLYKJASA-N 0 0 454.876 4.854 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492767211 1066940097 /nfs/dbraw/zinc/94/00/97/1066940097.db2.gz KIYCUGQIRMEDIQ-SCTDSRPQSA-N 0 0 489.690 4.625 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)CC2CCOCC2)s1 ZINC001492767297 1066940119 /nfs/dbraw/zinc/94/01/19/1066940119.db2.gz MMPWRWZADIKHAN-UHFFFAOYSA-N 0 0 498.697 4.810 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492767318 1066940160 /nfs/dbraw/zinc/94/01/60/1066940160.db2.gz NJVWZNMJJAVAKK-OAQYLSRUSA-N 0 0 484.670 4.518 20 0 JJADRN Cc1nnc(CCCn2c(CC3CC3)nnc2N(C)Cc2ccccc2C(F)(F)F)s1 ZINC001492767195 1066940183 /nfs/dbraw/zinc/94/01/83/1066940183.db2.gz KDCWWTOWGILYMN-UHFFFAOYSA-N 0 0 450.534 4.679 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccs2)s1 ZINC001492767337 1066940256 /nfs/dbraw/zinc/94/02/56/1066940256.db2.gz NYTUPPBULUBAQS-IEBWSBKVSA-N 0 0 460.673 4.687 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)c1ccc(N2CCCCC2)cc1 ZINC001448583086 1066940218 /nfs/dbraw/zinc/94/02/18/1066940218.db2.gz PNPBQHVSFUEJAG-UHFFFAOYSA-N 0 0 454.739 4.865 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)s1 ZINC001448579322 1066940331 /nfs/dbraw/zinc/94/03/31/1066940331.db2.gz VWRFKGAPWFAEEZ-CTYIDZIISA-N 0 0 455.502 4.863 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC001457915798 1066940860 /nfs/dbraw/zinc/94/08/60/1066940860.db2.gz SAQMDSZTIBCBIA-FOIQADDNSA-N 0 0 451.548 4.610 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC001457916844 1066941332 /nfs/dbraw/zinc/94/13/32/1066941332.db2.gz VJLHXFRHLPLVDV-SECBINFHSA-N 0 0 452.296 4.937 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3CCC(C)C)c2)cc1 ZINC001457915936 1066941373 /nfs/dbraw/zinc/94/13/73/1066941373.db2.gz UFGIWBMPQVZQJE-JOCHJYFZSA-N 0 0 458.624 4.951 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492767904 1066941444 /nfs/dbraw/zinc/94/14/44/1066941444.db2.gz GICYDTOURQSYBZ-DNVCBOLYSA-N 0 0 491.061 4.725 20 0 JJADRN O=C(Nc1ncc(F)cc1I)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001457920485 1066941919 /nfs/dbraw/zinc/94/19/19/1066941919.db2.gz VXAPPTQWSGGQEY-KRWDZBQOSA-N 0 0 454.283 4.712 20 0 JJADRN O=C(Nc1ncc(F)cc1I)c1cc2c(s1)-c1ccccc1CC2 ZINC001457920356 1066941933 /nfs/dbraw/zinc/94/19/33/1066941933.db2.gz UNWYFGJVXXXXCT-UHFFFAOYSA-N 0 0 450.276 4.905 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492768060 1066941874 /nfs/dbraw/zinc/94/18/74/1066941874.db2.gz MDDMVRRXNFUEMR-IXDOHACOSA-N 0 0 491.061 4.705 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492768154 1066941996 /nfs/dbraw/zinc/94/19/96/1066941996.db2.gz OUJMGRZBTDUAMB-OKILXGFUSA-N 0 0 493.500 4.749 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H](C)CC2)s1 ZINC001492768320 1066942309 /nfs/dbraw/zinc/94/23/09/1066942309.db2.gz UBPUBUGDXVGBQP-CQSZACIVSA-N 0 0 461.433 4.737 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)ccn1 ZINC001457925157 1066942381 /nfs/dbraw/zinc/94/23/81/1066942381.db2.gz JUPLMNZROJBYBX-UHFFFAOYSA-N 0 0 457.486 4.923 20 0 JJADRN O=C(NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457933112 1066942669 /nfs/dbraw/zinc/94/26/69/1066942669.db2.gz OIZQJZFMAZEPHM-LJQANCHMSA-N 0 0 459.855 4.881 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nccc4cc[nH]c43)c2)cc1C ZINC001457930868 1066942738 /nfs/dbraw/zinc/94/27/38/1066942738.db2.gz CBVKCLYUKZXKEM-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001448618365 1066942904 /nfs/dbraw/zinc/94/29/04/1066942904.db2.gz ATHSHYIMOQEIFR-QFIPXVFZSA-N 0 0 456.652 4.681 20 0 JJADRN Cc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccc(Cl)s2)s1 ZINC001492769843 1066943052 /nfs/dbraw/zinc/94/30/52/1066943052.db2.gz JHYZTARCJQSFFJ-UHFFFAOYSA-N 0 0 488.042 4.707 20 0 JJADRN C[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001448619924 1066943285 /nfs/dbraw/zinc/94/32/85/1066943285.db2.gz JGLPTWVXWZQBOV-BPLDGKMQSA-N 0 0 455.368 4.738 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N3CCC(Nc4cccc(Br)c4)CC3)c21 ZINC001448619570 1066943454 /nfs/dbraw/zinc/94/34/54/1066943454.db2.gz HSMJVOQVALZOCM-UHFFFAOYSA-N 0 0 456.384 4.975 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H]2CC=CCC2)s1 ZINC001492770832 1066943567 /nfs/dbraw/zinc/94/35/67/1066943567.db2.gz BERHRGOELDLRQZ-CYBMUJFWSA-N 0 0 465.446 4.770 20 0 JJADRN Cc1nc(SCC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)[nH]c1Cc1ccccc1 ZINC001457936775 1066943723 /nfs/dbraw/zinc/94/37/23/1066943723.db2.gz NPCOPFDDRMTEJX-GOSISDBHSA-N 0 0 450.391 4.558 20 0 JJADRN COCCCOc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1C ZINC001448621042 1066943791 /nfs/dbraw/zinc/94/37/91/1066943791.db2.gz PKYBYKOEZBMLMB-QAQDUYKDSA-N 0 0 450.348 4.988 20 0 JJADRN O=C(c1cc(Cl)ncc1Br)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001448620982 1066943944 /nfs/dbraw/zinc/94/39/44/1066943944.db2.gz OUOZKEZVNLMYMG-UHFFFAOYSA-N 0 0 454.155 4.690 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492771764 1066944368 /nfs/dbraw/zinc/94/43/68/1066944368.db2.gz LVBVEAUDFWULOR-NRFANRHFSA-N 0 0 484.670 4.830 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC001492771692 1066944472 /nfs/dbraw/zinc/94/44/72/1066944472.db2.gz SGDLELHQZPAPRW-OCCSQVGLSA-N 0 0 461.433 4.707 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(C)(C)C ZINC001448621897 1066944482 /nfs/dbraw/zinc/94/44/82/1066944482.db2.gz SLFKZFXPHKLAFI-CKEIUWERSA-N 0 0 457.384 4.890 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)s1 ZINC001492771691 1066944502 /nfs/dbraw/zinc/94/45/02/1066944502.db2.gz SGDLELHQZPAPRW-JSGCOSHPSA-N 0 0 461.433 4.707 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](C)C(C)(C)C2)s1 ZINC001492772048 1066944830 /nfs/dbraw/zinc/94/48/30/1066944830.db2.gz QDBJVTLVCUYHPT-LBPRGKRZSA-N 0 0 479.423 4.927 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cnn(C2CCCC2)c1C ZINC001448624437 1066944769 /nfs/dbraw/zinc/94/47/69/1066944769.db2.gz ZEVDILFAAVAUSW-IBGZPJMESA-N 0 0 456.591 4.636 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1F ZINC001448623147 1066944855 /nfs/dbraw/zinc/94/48/55/1066944855.db2.gz ZCEVYRXADZUWCD-SHTZXODSSA-N 0 0 452.295 4.761 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492772329 1066944903 /nfs/dbraw/zinc/94/49/03/1066944903.db2.gz XFSLVODJHUZDKM-UHFFFAOYSA-N 0 0 479.025 4.977 20 0 JJADRN Cc1c(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cnn1C1CCCC1 ZINC001448624117 1066944954 /nfs/dbraw/zinc/94/49/54/1066944954.db2.gz WAVMBFCINAOEGF-UHFFFAOYSA-N 0 0 452.580 4.977 20 0 JJADRN C[C@@H](NC(=O)c1ccc(-c2ccc(Br)cc2)n1C)c1noc(-c2ccccc2)n1 ZINC001457943712 1066945169 /nfs/dbraw/zinc/94/51/69/1066945169.db2.gz ZNVVWDHECUXRDR-CQSZACIVSA-N 0 0 451.324 4.996 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2C)s1 ZINC001492772621 1066945323 /nfs/dbraw/zinc/94/53/23/1066945323.db2.gz FTSNPOMVSGCDHM-HXUWFJFHSA-N 0 0 497.669 4.546 20 0 JJADRN Cc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OCC(C)(C)F)ccc3C2)s1 ZINC001492773195 1066945369 /nfs/dbraw/zinc/94/53/69/1066945369.db2.gz YFZMITHMCWOOOI-UHFFFAOYSA-N 0 0 472.634 4.765 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(F)cc1F ZINC001457946371 1066945489 /nfs/dbraw/zinc/94/54/89/1066945489.db2.gz PSOWVURHDCDYKQ-NRFANRHFSA-N 0 0 450.476 4.999 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c2ccccc12 ZINC001457947903 1066945817 /nfs/dbraw/zinc/94/58/17/1066945817.db2.gz LFFWAERJAXAACZ-CQSZACIVSA-N 0 0 458.308 4.560 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCCCOc1ccc(F)cc1 ZINC001492775478 1066946093 /nfs/dbraw/zinc/94/60/93/1066946093.db2.gz ASYHVOMDBQLITB-CBQGHPETSA-N 0 0 487.620 4.952 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C)s1)Oc1cccc(F)c1 ZINC001546008436 1066946402 /nfs/dbraw/zinc/94/64/02/1066946402.db2.gz QPWRIKCBDBWZPS-HXUWFJFHSA-N 0 0 483.617 4.538 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001457951322 1066946677 /nfs/dbraw/zinc/94/66/77/1066946677.db2.gz GCWUMYUPYNXIKH-MSOLQXFVSA-N 0 0 456.505 4.879 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c1C ZINC001448657262 1066946885 /nfs/dbraw/zinc/94/68/85/1066946885.db2.gz DFGHCAWYYJGOIP-XMSQKQJNSA-N 0 0 456.514 4.668 20 0 JJADRN O=C(Cc1ccccc1I)N(CCc1cccc(F)c1)C1CCCC1 ZINC001457950343 1066946878 /nfs/dbraw/zinc/94/68/78/1066946878.db2.gz LSFJJWXRALSSLI-UHFFFAOYSA-N 0 0 451.323 4.987 20 0 JJADRN CN(C(=O)c1nccc2c1cccc2S(N)(=O)=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448664741 1066947270 /nfs/dbraw/zinc/94/72/70/1066947270.db2.gz VQXFHLOGOCVNQV-JOCHJYFZSA-N 0 0 457.983 4.539 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)c2)c1 ZINC001448662099 1066947288 /nfs/dbraw/zinc/94/72/88/1066947288.db2.gz PVEPQWBJLOAOMP-WIYYLYMNSA-N 0 0 456.514 4.668 20 0 JJADRN CN(C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001448659718 1066947377 /nfs/dbraw/zinc/94/73/77/1066947377.db2.gz GYFMEHVRJPCHBU-ZJSXRUAMSA-N 0 0 451.007 4.792 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H](O)c1ccc(F)cc1)NC1CCCCCCC1 ZINC001448657824 1066947383 /nfs/dbraw/zinc/94/73/83/1066947383.db2.gz APWGMCDWARZOGS-QFIPXVFZSA-N 0 0 458.599 4.610 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3C[C@H](c4ccccc4C)C3)c2)cc1F ZINC001448660171 1066947393 /nfs/dbraw/zinc/94/73/93/1066947393.db2.gz INRLYWUABNPBQL-XUTJKUGGSA-N 0 0 452.551 4.919 20 0 JJADRN COCCOCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC001457953342 1066947614 /nfs/dbraw/zinc/94/76/14/1066947614.db2.gz RTCHMRLKUOAYSP-UHFFFAOYSA-N 0 0 459.546 4.812 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001457953435 1066947659 /nfs/dbraw/zinc/94/76/59/1066947659.db2.gz KNWKTQAMQFINQM-INIZCTEOSA-N 0 0 454.372 4.969 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001457955830 1066948063 /nfs/dbraw/zinc/94/80/63/1066948063.db2.gz YDKRZGIARCKFMJ-FCHUYYIVSA-N 0 0 469.557 4.778 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)c2)n1 ZINC001457955119 1066948073 /nfs/dbraw/zinc/94/80/73/1066948073.db2.gz NOMYJKZDHWMTEN-CALCHBBNSA-N 0 0 453.564 4.569 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)cc(Cl)c2N)c(Br)c1 ZINC001448673901 1066948605 /nfs/dbraw/zinc/94/86/05/1066948605.db2.gz XSQOYZBBSGNYEM-OAHLLOKOSA-N 0 0 455.755 4.954 20 0 JJADRN Cn1cc(-c2nc3ccccn3c2NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cn1 ZINC001457960267 1066948809 /nfs/dbraw/zinc/94/88/09/1066948809.db2.gz LQZUTKRAKAEVDG-UHFFFAOYSA-N 0 0 450.713 4.713 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001457957547 1066948828 /nfs/dbraw/zinc/94/88/28/1066948828.db2.gz SRKSGDNAXXDQBS-CUVVAGTFSA-N 0 0 457.615 4.586 20 0 JJADRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(I)c(Cl)cc1Cl ZINC001457958265 1066948850 /nfs/dbraw/zinc/94/88/50/1066948850.db2.gz TYOZECBOBGVDAQ-JTQLQIEISA-N 0 0 454.135 4.820 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C(C)(C)C ZINC001457964930 1066949144 /nfs/dbraw/zinc/94/91/44/1066949144.db2.gz TXUYXYFLPMWAMA-QGZVFWFLSA-N 0 0 458.045 4.543 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)C1 ZINC001457969381 1066949565 /nfs/dbraw/zinc/94/95/65/1066949565.db2.gz RXMCGTSTFYUXRU-HXUWFJFHSA-N 0 0 450.485 4.721 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)cc1 ZINC001457966588 1066949697 /nfs/dbraw/zinc/94/96/97/1066949697.db2.gz JSIDIYRMXUWRLI-RUZDIDTESA-N 0 0 450.608 4.565 20 0 JJADRN Cc1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492788548 1066949957 /nfs/dbraw/zinc/94/99/57/1066949957.db2.gz UHBVGHIPBWNVMQ-QFIPXVFZSA-N 0 0 453.562 4.532 20 0 JJADRN CCCc1c(NC(=O)CCc2nnc(C3CCCC3)o2)cnn1-c1cc(F)c(OC)cc1F ZINC001448680302 1066949925 /nfs/dbraw/zinc/94/99/25/1066949925.db2.gz XBRGMCLTHSKREU-UHFFFAOYSA-N 0 0 459.497 4.724 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC001457976085 1066950139 /nfs/dbraw/zinc/95/01/39/1066950139.db2.gz DXKYEEJMGSKDLE-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 ZINC001546008897 1066950350 /nfs/dbraw/zinc/95/03/50/1066950350.db2.gz ZAJMKJKJYGTJLC-JOCHJYFZSA-N 0 0 450.631 4.727 20 0 JJADRN Cc1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001492789624 1066950363 /nfs/dbraw/zinc/95/03/63/1066950363.db2.gz DRMKCTSOKLDOPE-QGZVFWFLSA-N 0 0 457.541 4.545 20 0 JJADRN Cc1c(C(=O)NCc2noc(-c3cccc(Br)c3)n2)ccn1Cc1ccccc1 ZINC001448683657 1066950394 /nfs/dbraw/zinc/95/03/94/1066950394.db2.gz JAHVGTSARYUDOV-UHFFFAOYSA-N 0 0 451.324 4.587 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001492790481 1066950451 /nfs/dbraw/zinc/95/04/51/1066950451.db2.gz HONDPKXKIGSKAK-NQIIRXRSSA-N 0 0 491.455 4.577 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001448684207 1066950428 /nfs/dbraw/zinc/95/04/28/1066950428.db2.gz JSBQYYFKMCJZMH-MRXNPFEDSA-N 0 0 451.405 4.630 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2nc(C)cs2)CCO1 ZINC001546095558 1066950657 /nfs/dbraw/zinc/95/06/57/1066950657.db2.gz OZJSEDBLCYQGDE-IQMFZBJNSA-N 0 0 461.582 4.721 20 0 JJADRN Cc1nnc(N2Cc3ccc(Br)cc3C2)n1Cc1ccsc1Br ZINC001492795183 1066950771 /nfs/dbraw/zinc/95/07/71/1066950771.db2.gz RJZCFFWFOUSQMX-UHFFFAOYSA-N 0 0 454.191 4.742 20 0 JJADRN CCO[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC001448686223 1066950823 /nfs/dbraw/zinc/95/08/23/1066950823.db2.gz GCWCCEMPWKCBOO-JOCHJYFZSA-N 0 0 458.967 4.648 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001492796995 1066951335 /nfs/dbraw/zinc/95/13/35/1066951335.db2.gz OWSUNJAPYXIJAG-UHFFFAOYSA-N 0 0 455.603 4.822 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492797982 1066951394 /nfs/dbraw/zinc/95/13/94/1066951394.db2.gz UTQUIZHLRYPYBZ-NVXWUHKLSA-N 0 0 470.927 4.784 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)c2C)c1 ZINC001457983200 1066951571 /nfs/dbraw/zinc/95/15/71/1066951571.db2.gz NOKWNLDIGHHDQF-UHFFFAOYSA-N 0 0 453.564 4.815 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001457981234 1066951599 /nfs/dbraw/zinc/95/15/99/1066951599.db2.gz NWMLJKGZCSRGAM-FYYLOGMGSA-N 0 0 452.595 4.927 20 0 JJADRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001448689164 1066951823 /nfs/dbraw/zinc/95/18/23/1066951823.db2.gz VKKFXXCGLFJFOP-AVRDEDQJSA-N 0 0 454.615 4.601 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001492798416 1066951875 /nfs/dbraw/zinc/95/18/75/1066951875.db2.gz GEYRRJZGCSXPNS-OKZBNKHCSA-N 0 0 469.630 4.649 20 0 JJADRN O=C(Nc1cc(F)c(Br)cc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001457984932 1066952411 /nfs/dbraw/zinc/95/24/11/1066952411.db2.gz VOAOZGCVIGXCKO-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492799133 1066952505 /nfs/dbraw/zinc/95/25/05/1066952505.db2.gz WAMYSKPAOHTTJF-INIZCTEOSA-N 0 0 497.562 4.706 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1CCc1ccc(Cl)s1 ZINC001492799053 1066952522 /nfs/dbraw/zinc/95/25/22/1066952522.db2.gz TUFGXBQUQCUXCA-CQSZACIVSA-N 0 0 454.040 4.674 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001492799956 1066952963 /nfs/dbraw/zinc/95/29/63/1066952963.db2.gz SSAJNUJYLYZSGJ-UHFFFAOYSA-N 0 0 496.656 4.647 20 0 JJADRN COC(=O)COc1cccc(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1 ZINC001457989553 1066953144 /nfs/dbraw/zinc/95/31/44/1066953144.db2.gz TWGYVENJBAQUFZ-UHFFFAOYSA-N 0 0 455.555 4.649 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](C)COCc1ccccc1 ZINC001492804315 1066953473 /nfs/dbraw/zinc/95/34/73/1066953473.db2.gz HSJWQXNVADOENQ-FQEVSTJZSA-N 0 0 471.646 4.523 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC001448721405 1066953505 /nfs/dbraw/zinc/95/35/05/1066953505.db2.gz NSUIOHFSTDMNQM-UBFVSLLYSA-N 0 0 455.643 4.574 20 0 JJADRN CC(C)(C)Oc1cc(F)ccc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001457994935 1066954114 /nfs/dbraw/zinc/95/41/14/1066954114.db2.gz UJBHEMUEJVBHNM-UHFFFAOYSA-N 0 0 452.324 4.916 20 0 JJADRN CC(=O)c1ccc(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1C ZINC001457995563 1066954152 /nfs/dbraw/zinc/95/41/52/1066954152.db2.gz YATBCTDNMUAVMJ-UHFFFAOYSA-N 0 0 450.560 4.730 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1OC(C)C ZINC001448728845 1066954393 /nfs/dbraw/zinc/95/43/93/1066954393.db2.gz OIRYYVZWJWEKJV-DEOSSOPVSA-N 0 0 454.592 4.877 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001457997260 1066954569 /nfs/dbraw/zinc/95/45/69/1066954569.db2.gz BBHGLKCJZUGCTR-UHFFFAOYSA-N 0 0 454.636 4.681 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997868 1066954619 /nfs/dbraw/zinc/95/46/19/1066954619.db2.gz IKECOIVDRKCNLK-MSOLQXFVSA-N 0 0 451.592 4.562 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001457996538 1066954684 /nfs/dbraw/zinc/95/46/84/1066954684.db2.gz KWNCBHLGUNJNKP-AWEZNQCLSA-N 0 0 451.445 4.688 20 0 JJADRN CCCc1c(NC(=O)c2nc3ccc(Br)cn3c2F)cnn1-c1cccc(C)c1 ZINC001448732396 1066954909 /nfs/dbraw/zinc/95/49/09/1066954909.db2.gz HBILJGMPUPKQJJ-UHFFFAOYSA-N 0 0 456.319 4.935 20 0 JJADRN Cc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492829714 1066955236 /nfs/dbraw/zinc/95/52/36/1066955236.db2.gz AFFDWWBUUSUAKW-UHFFFAOYSA-N 0 0 471.646 4.831 20 0 JJADRN Cc1c(Br)ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1F ZINC001448736231 1066955310 /nfs/dbraw/zinc/95/53/10/1066955310.db2.gz MJYHTSHVKLTSNJ-HXUWFJFHSA-N 0 0 455.327 4.876 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1OC ZINC001448739477 1066955332 /nfs/dbraw/zinc/95/53/32/1066955332.db2.gz PPMLZQVUFWTEPU-WQCNXYOZSA-N 0 0 454.405 4.648 20 0 JJADRN C[C@@]1(c2ccc(C(=O)Nc3ccc(Cl)cc3-c3cccc(Cl)c3)cc2)NC(=O)NC1=O ZINC001448738404 1066955365 /nfs/dbraw/zinc/95/53/65/1066955365.db2.gz WVMUUVDDPOBJNL-QHCPKHFHSA-N 0 0 454.313 4.967 20 0 JJADRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc2[nH]cc(I)c2c1 ZINC001448735973 1066955429 /nfs/dbraw/zinc/95/54/29/1066955429.db2.gz RLDNJBQIAHRQML-UHFFFAOYSA-N 0 0 455.259 4.558 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001492837091 1066955750 /nfs/dbraw/zinc/95/57/50/1066955750.db2.gz DFTFUCBXLBHDIE-TZYHBYERSA-N 0 0 453.631 4.910 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492836676 1066955790 /nfs/dbraw/zinc/95/57/90/1066955790.db2.gz AXMRKADYNFKNEI-YOEHRIQHSA-N 0 0 483.535 4.505 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1OC(F)F ZINC001492839355 1066956275 /nfs/dbraw/zinc/95/62/75/1066956275.db2.gz SWIZAVNEMHAXCC-QFBILLFUSA-N 0 0 479.572 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)C1CC1 ZINC001448774069 1066956528 /nfs/dbraw/zinc/95/65/28/1066956528.db2.gz FSKZGCDWUHZHQJ-TZIWHRDSSA-N 0 0 456.562 4.963 20 0 JJADRN CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1 ZINC001458014545 1066956648 /nfs/dbraw/zinc/95/66/48/1066956648.db2.gz RCEMBHKXUXHWCE-UHFFFAOYSA-N 0 0 454.548 4.561 20 0 JJADRN Cc1nc(COC(=O)c2cc(I)ccc2N2CCCCC2)c(C)s1 ZINC001458013121 1066956693 /nfs/dbraw/zinc/95/66/93/1066956693.db2.gz NFIFGWJEXDDENH-UHFFFAOYSA-N 0 0 456.349 4.712 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492844668 1066956826 /nfs/dbraw/zinc/95/68/26/1066956826.db2.gz QKIQHBCOUMEIOD-GFOJFJKKSA-N 0 0 477.694 4.946 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001448781169 1066957073 /nfs/dbraw/zinc/95/70/73/1066957073.db2.gz VLZPNASKKMPPPA-FYYLOGMGSA-N 0 0 458.643 4.564 20 0 JJADRN CN(C)c1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc(C(F)(F)F)c1 ZINC001458020904 1066957583 /nfs/dbraw/zinc/95/75/83/1066957583.db2.gz GYUSHHMWDFMHJJ-UHFFFAOYSA-N 0 0 450.486 4.542 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)c(O)c1)c1cc(F)cc(F)c1 ZINC001458021725 1066957628 /nfs/dbraw/zinc/95/76/28/1066957628.db2.gz DNRPYNHDGQONAS-UHFFFAOYSA-N 0 0 454.820 4.772 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492847712 1066957740 /nfs/dbraw/zinc/95/77/40/1066957740.db2.gz KYGFQQLHJXVXBE-JOCHJYFZSA-N 0 0 498.672 4.703 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC001458019146 1066957645 /nfs/dbraw/zinc/95/76/45/1066957645.db2.gz KGPIMTCYKKDEGH-UHFFFAOYSA-N 0 0 452.960 4.648 20 0 JJADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC001458024267 1066957976 /nfs/dbraw/zinc/95/79/76/1066957976.db2.gz UQYVQMUKUHVUHO-UHFFFAOYSA-N 0 0 452.294 4.679 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC001458026004 1066958143 /nfs/dbraw/zinc/95/81/43/1066958143.db2.gz XDGJAUVEWXKRFR-FQEVSTJZSA-N 0 0 457.958 4.608 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)NC[C@H](CO)Cc3ccncc3Cl)c2c1 ZINC001448786384 1066958044 /nfs/dbraw/zinc/95/80/44/1066958044.db2.gz NXAYOKKSBSRYFN-MRXNPFEDSA-N 0 0 451.979 4.901 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001492851200 1066958383 /nfs/dbraw/zinc/95/83/83/1066958383.db2.gz AIPNTBOJGWACIT-HXUWFJFHSA-N 0 0 496.587 4.797 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001492851196 1066958567 /nfs/dbraw/zinc/95/85/67/1066958567.db2.gz AIPNTBOJGWACIT-FQEVSTJZSA-N 0 0 496.587 4.797 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC001448809059 1066959070 /nfs/dbraw/zinc/95/90/70/1066959070.db2.gz ZVQVGRYHJIWFDO-UHFFFAOYSA-N 0 0 459.974 4.887 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC[C@@H](NC1CC1)C(F)(F)F ZINC001458035832 1066958991 /nfs/dbraw/zinc/95/89/91/1066958991.db2.gz FYRBHXJKTXAUNQ-OAHLLOKOSA-N 0 0 451.436 4.561 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)Cc1sc(=S)[nH]c1C)C(F)(F)F ZINC001458036479 1066959102 /nfs/dbraw/zinc/95/91/02/1066959102.db2.gz GKVOGFRCNPJPDZ-HNNXBMFYSA-N 0 0 454.543 4.548 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O[C@H]1CCc2c1cccc2OCC1CC1 ZINC001458034189 1066959113 /nfs/dbraw/zinc/95/91/13/1066959113.db2.gz IMMHMLHWZJBPBU-QHCPKHFHSA-N 0 0 457.592 4.705 20 0 JJADRN Cc1nnc(N2CCC[C@@H]2c2nc3ccccc3s2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492862718 1066959322 /nfs/dbraw/zinc/95/93/22/1066959322.db2.gz LNNGYWJOVPUFTQ-GOSISDBHSA-N 0 0 456.616 4.795 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)CC1 ZINC001458041066 1066959485 /nfs/dbraw/zinc/95/94/85/1066959485.db2.gz IBXLPARYYZOUQH-OAQYLSRUSA-N 0 0 458.396 4.740 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001458045991 1066960281 /nfs/dbraw/zinc/96/02/81/1066960281.db2.gz UAIWQIDCTJNQHR-PZJWPPBQSA-N 0 0 453.526 4.505 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448832856 1066960791 /nfs/dbraw/zinc/96/07/91/1066960791.db2.gz BOLYCLQXLGHBNT-GDBMZVCRSA-N 0 0 451.539 4.691 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492940756 1066960865 /nfs/dbraw/zinc/96/08/65/1066960865.db2.gz CQTRLYJIZIJNKL-CQSZACIVSA-N 0 0 477.434 4.707 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C2 ZINC001458050307 1066961199 /nfs/dbraw/zinc/96/11/99/1066961199.db2.gz TUYGKPZBOIXOPI-SFHVURJKSA-N 0 0 458.230 4.766 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458050865 1066961224 /nfs/dbraw/zinc/96/12/24/1066961224.db2.gz YPTDWNWKHADOQR-LLVKDONJSA-N 0 0 451.283 4.761 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001458049172 1066961333 /nfs/dbraw/zinc/96/13/33/1066961333.db2.gz NZEHYMCGOCOVMN-LLVKDONJSA-N 0 0 451.283 4.571 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001492944911 1066961287 /nfs/dbraw/zinc/96/12/87/1066961287.db2.gz UYJDSVLXIQMIRD-SFHVURJKSA-N 0 0 450.370 4.805 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Oc3cc(Br)ccc3Cl)c(C)c12 ZINC001458051604 1066961605 /nfs/dbraw/zinc/96/16/05/1066961605.db2.gz PUUVPQNMKMVAAA-UHFFFAOYSA-N 0 0 452.736 4.548 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001458051769 1066961695 /nfs/dbraw/zinc/96/16/95/1066961695.db2.gz FLSQCVVQZDTWQD-YVEFUNNKSA-N 0 0 458.274 4.944 20 0 JJADRN CCc1c(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cnn1C(CC)CC ZINC001448838161 1066961648 /nfs/dbraw/zinc/96/16/48/1066961648.db2.gz NMJWGGZPXSPFLQ-UHFFFAOYSA-N 0 0 455.024 4.743 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001458052885 1066961742 /nfs/dbraw/zinc/96/17/42/1066961742.db2.gz VELYSQBCOYWWRG-ARFHVFGLSA-N 0 0 456.530 4.704 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)Cc1cccc2ccc(OC)cc21 ZINC001458054155 1066962033 /nfs/dbraw/zinc/96/20/33/1066962033.db2.gz PNUJIGVPBYLZCG-JOCHJYFZSA-N 0 0 456.336 4.526 20 0 JJADRN COc1cc(F)cc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001458053931 1066962093 /nfs/dbraw/zinc/96/20/93/1066962093.db2.gz GINISQIMMIQGCD-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(C)c1OCc1cccnc1 ZINC001448840207 1066962105 /nfs/dbraw/zinc/96/21/05/1066962105.db2.gz HQNBHBPMVWPIFI-SIKLNZKXSA-N 0 0 453.583 4.795 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC001458052968 1066962158 /nfs/dbraw/zinc/96/21/58/1066962158.db2.gz WMFKTOIMWDFCBJ-KBPBESRZSA-N 0 0 452.502 4.977 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC001458055304 1066962442 /nfs/dbraw/zinc/96/24/42/1066962442.db2.gz LLDNBNYJFLCGND-ROUUACIJSA-N 0 0 455.551 4.789 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458054770 1066962454 /nfs/dbraw/zinc/96/24/54/1066962454.db2.gz IKZHRVFGKNYNMK-QGZVFWFLSA-N 0 0 452.551 4.696 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(Cl)c1OCC(C)C ZINC001448843622 1066962547 /nfs/dbraw/zinc/96/25/47/1066962547.db2.gz MDUIKIZXZPIFOP-DOTOQJQBSA-N 0 0 454.995 4.901 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448843341 1066962610 /nfs/dbraw/zinc/96/26/10/1066962610.db2.gz LVHXVWJWKZKGGC-WBVHZDCISA-N 0 0 455.521 4.823 20 0 JJADRN Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001492967308 1066962582 /nfs/dbraw/zinc/96/25/82/1066962582.db2.gz LRSFDLXKYFQOFT-DENIHFKCSA-N 0 0 471.621 4.833 20 0 JJADRN Cc1[nH]c2c(cccc2C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C ZINC001545695474 1066962604 /nfs/dbraw/zinc/96/26/04/1066962604.db2.gz UEIZODKEFPCANL-UHFFFAOYSA-N 0 0 451.523 4.655 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001545695710 1066963061 /nfs/dbraw/zinc/96/30/61/1066963061.db2.gz BVSLTYIOHWAQNW-KSZLIROESA-N 0 0 486.567 4.632 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001545696160 1066963208 /nfs/dbraw/zinc/96/32/08/1066963208.db2.gz LKEYZBGMFRMCCU-OALUTQOASA-N 0 0 464.614 4.777 20 0 JJADRN C[C@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458057193 1066963628 /nfs/dbraw/zinc/96/36/28/1066963628.db2.gz QESJJTSJMQHOCF-ZDUSSCGKSA-N 0 0 452.429 4.672 20 0 JJADRN COc1cc(F)cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 ZINC001458058412 1066964081 /nfs/dbraw/zinc/96/40/81/1066964081.db2.gz WXMXCZLOJRUDTM-SFHVURJKSA-N 0 0 456.436 4.735 20 0 JJADRN COc1cc(OC)c(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1OC ZINC001458058994 1066964097 /nfs/dbraw/zinc/96/40/97/1066964097.db2.gz NAAGGCAMGMGNMD-KRWDZBQOSA-N 0 0 457.571 4.628 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458060218 1066964318 /nfs/dbraw/zinc/96/43/18/1066964318.db2.gz QYBAZPSQMFLAIQ-FPOVZHCZSA-N 0 0 458.647 4.573 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458060213 1066964565 /nfs/dbraw/zinc/96/45/65/1066964565.db2.gz QYBAZPSQMFLAIQ-CTNGQTDRSA-N 0 0 458.647 4.573 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 ZINC001545701769 1066964764 /nfs/dbraw/zinc/96/47/64/1066964764.db2.gz PSUHDPDTPIDHFX-PXNSSMCTSA-N 0 0 455.990 4.762 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)C1)NC(=O)OC(C)(C)C ZINC001546010043 1066964896 /nfs/dbraw/zinc/96/48/96/1066964896.db2.gz DMRBEEBBTJBKNJ-MHJFOBGBSA-N 0 0 475.609 4.653 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC001458063079 1066964812 /nfs/dbraw/zinc/96/48/12/1066964812.db2.gz QMWIHMAYVCAFIL-LBPRGKRZSA-N 0 0 456.365 4.501 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F ZINC001448863838 1066965264 /nfs/dbraw/zinc/96/52/64/1066965264.db2.gz FSRPOSPRCQEZFU-JTSKRJEESA-N 0 0 459.537 4.563 20 0 JJADRN CCN(C(=O)c1ccc(S(N)(=O)=O)c(C)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702514 1066965293 /nfs/dbraw/zinc/96/52/93/1066965293.db2.gz FKNMFDZGGDBKAN-SFHVURJKSA-N 0 0 452.576 4.541 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001546010127 1066965576 /nfs/dbraw/zinc/96/55/76/1066965576.db2.gz GIXDDOSHRVAIBN-VQTJNVASSA-N 0 0 497.606 4.787 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(F)c(F)cc1Br ZINC001458065697 1066965740 /nfs/dbraw/zinc/96/57/40/1066965740.db2.gz BFUDXEPIBUXUBQ-QMMMGPOBSA-N 0 0 451.080 4.990 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458066786 1066965751 /nfs/dbraw/zinc/96/57/51/1066965751.db2.gz IDXIMJGHRGLIFN-UHFFFAOYSA-N 0 0 450.110 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 ZINC001448869123 1066965825 /nfs/dbraw/zinc/96/58/25/1066965825.db2.gz XZZYIXMVNJNUCG-HNNXBMFYSA-N 0 0 459.465 4.972 20 0 JJADRN C[C@@H]1c2ccc(C(=O)NCc3sccc3Br)n2CCN1C(=O)OC(C)(C)C ZINC001448873186 1066965862 /nfs/dbraw/zinc/96/58/62/1066965862.db2.gz XDXGKDLWEOPNIT-GFCCVEGCSA-N 0 0 454.390 4.554 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1CC)Oc1ccccc1F ZINC001546010220 1066965870 /nfs/dbraw/zinc/96/58/70/1066965870.db2.gz IHGDNKFITQNPGZ-NLWGTHIKSA-N 0 0 485.629 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc2c1CCO2)Cc1cc(F)c(F)cc1F ZINC001448871096 1066965905 /nfs/dbraw/zinc/96/59/05/1066965905.db2.gz LAYMEBIKQMXNPF-CQSZACIVSA-N 0 0 450.457 4.503 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001545704335 1066966003 /nfs/dbraw/zinc/96/60/03/1066966003.db2.gz XEEIVEZICOOZHO-TZIWHRDSSA-N 0 0 495.697 4.533 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001458068775 1066966167 /nfs/dbraw/zinc/96/61/67/1066966167.db2.gz YDSDNZCGZULELF-LLVKDONJSA-N 0 0 452.700 4.869 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)CC3(CNC(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001458068045 1066966198 /nfs/dbraw/zinc/96/61/98/1066966198.db2.gz BGDWTGXENLJJFX-UHFFFAOYSA-N 0 0 454.567 4.841 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c(Cl)c1 ZINC001448878528 1066966266 /nfs/dbraw/zinc/96/62/66/1066966266.db2.gz XWLZTLJJGJTANX-UHFFFAOYSA-N 0 0 457.914 4.983 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001545705427 1066966346 /nfs/dbraw/zinc/96/63/46/1066966346.db2.gz ABTBMECVRKDOQC-FPOVZHCZSA-N 0 0 489.611 4.650 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001545705426 1066966550 /nfs/dbraw/zinc/96/65/50/1066966550.db2.gz ABTBMECVRKDOQC-CTNGQTDRSA-N 0 0 489.611 4.650 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001458068886 1066966579 /nfs/dbraw/zinc/96/65/79/1066966579.db2.gz KTJCWCPNKJOQBL-QGZVFWFLSA-N 0 0 454.752 4.912 20 0 JJADRN CN(C)[C@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882294 1066966682 /nfs/dbraw/zinc/96/66/82/1066966682.db2.gz APPHCGZLUGUDHY-PMACEKPBSA-N 0 0 450.808 4.808 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)CC1CCCCC1 ZINC001545705440 1066966720 /nfs/dbraw/zinc/96/67/20/1066966720.db2.gz AFDCRQVWCAIVBQ-FQEVSTJZSA-N 0 0 450.631 4.602 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001545705613 1066966770 /nfs/dbraw/zinc/96/67/70/1066966770.db2.gz CZMSNDWUPZKVRW-FGZHOGPDSA-N 0 0 455.647 4.651 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCSC2(CCCCC2)C1 ZINC001545705446 1066966805 /nfs/dbraw/zinc/96/68/05/1066966805.db2.gz AHIBLIGYXAKIJZ-NRFANRHFSA-N 0 0 485.698 4.726 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)CC1CCCCC1 ZINC001545705441 1066966842 /nfs/dbraw/zinc/96/68/42/1066966842.db2.gz AFDCRQVWCAIVBQ-HXUWFJFHSA-N 0 0 450.631 4.602 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SC)C1 ZINC001545705503 1066966929 /nfs/dbraw/zinc/96/69/29/1066966929.db2.gz BJTHGESTSGANLS-UNMCSNQZSA-N 0 0 473.687 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458071219 1066966839 /nfs/dbraw/zinc/96/68/39/1066966839.db2.gz ZLRNESINODKNQG-IBGZPJMESA-N 0 0 453.986 4.553 20 0 JJADRN FC(F)(F)Oc1ccc(-n2nnnc2Sc2cc(-c3cccc(Cl)c3)ncn2)cc1 ZINC001458070125 1066966940 /nfs/dbraw/zinc/96/69/40/1066966940.db2.gz MZQCRYNDDIAGHO-UHFFFAOYSA-N 0 0 450.833 4.823 20 0 JJADRN CCCCOc1ccc(C(=O)Oc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1OC ZINC001458070629 1066966968 /nfs/dbraw/zinc/96/69/68/1066966968.db2.gz KYTKLISGODNCLR-UHFFFAOYSA-N 0 0 450.491 4.640 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H]3CSc4ccc(Br)cc43)C2=O)cc1 ZINC001448885032 1066967084 /nfs/dbraw/zinc/96/70/84/1066967084.db2.gz KIWRORCWNYHQIQ-IEBWSBKVSA-N 0 0 459.409 4.889 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)c2cn(C)nc2-c2cccs2)nc(N2CCCCC2)n1 ZINC001458072786 1066967144 /nfs/dbraw/zinc/96/71/44/1066967144.db2.gz YOPITWMDYFDZKX-UHFFFAOYSA-N 0 0 452.628 4.536 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001458072779 1066967287 /nfs/dbraw/zinc/96/72/87/1066967287.db2.gz YOLBGPZZCPAAEQ-UHFFFAOYSA-N 0 0 457.227 4.520 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(F)c(C(F)(F)F)cc3F)c2)ccn1 ZINC001458073849 1066967594 /nfs/dbraw/zinc/96/75/94/1066967594.db2.gz UVMVSTTYKRHDIP-UHFFFAOYSA-N 0 0 452.335 4.750 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)c1ccc(Cl)c(F)c1 ZINC001458074760 1066967609 /nfs/dbraw/zinc/96/76/09/1066967609.db2.gz HCCAPKFNDYTHRY-IBGZPJMESA-N 0 0 455.313 4.761 20 0 JJADRN O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448890900 1066967613 /nfs/dbraw/zinc/96/76/13/1066967613.db2.gz LDASOSKZRWNWLQ-QAPCUYQASA-N 0 0 458.183 4.892 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CNc2nc(C)nc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC001458074301 1066967731 /nfs/dbraw/zinc/96/77/31/1066967731.db2.gz HPTWAKFYBWAERF-HNNXBMFYSA-N 0 0 458.653 4.767 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448897354 1066968056 /nfs/dbraw/zinc/96/80/56/1066968056.db2.gz SOJMSMWODRYIQL-FQEVSTJZSA-N 0 0 451.368 4.931 20 0 JJADRN COC(=O)[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(F)c1 ZINC001458076343 1066968122 /nfs/dbraw/zinc/96/81/22/1066968122.db2.gz NQCFFLFUDBYXGR-OAHLLOKOSA-N 0 0 455.096 4.849 20 0 JJADRN CC(C)[C@@H](OC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(F)c(F)c1 ZINC001458075040 1066968181 /nfs/dbraw/zinc/96/81/81/1066968181.db2.gz JHEUOUPRDOBUBD-KSFYIVLOSA-N 0 0 451.897 4.786 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CCSC2)C1 ZINC001545706453 1066968306 /nfs/dbraw/zinc/96/83/06/1066968306.db2.gz RSARBDJPTVXATP-ZBLYBZFDSA-N 0 0 499.725 4.927 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001545706740 1066968317 /nfs/dbraw/zinc/96/83/17/1066968317.db2.gz XSWJTEZCYRFERY-HNNXBMFYSA-N 0 0 487.954 4.594 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001448901768 1066968492 /nfs/dbraw/zinc/96/84/92/1066968492.db2.gz DIIMGJRLQXKMSC-KNQAVFIVSA-N 0 0 458.942 4.874 20 0 JJADRN COc1ncc(Br)cc1COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001458076413 1066968379 /nfs/dbraw/zinc/96/83/79/1066968379.db2.gz BVIVQBMENLDMIQ-UHFFFAOYSA-N 0 0 451.317 4.865 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC001545707315 1066968612 /nfs/dbraw/zinc/96/86/12/1066968612.db2.gz KBHCPFYADYIEST-BJKOFHAPSA-N 0 0 450.604 4.739 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001545706808 1066968708 /nfs/dbraw/zinc/96/87/08/1066968708.db2.gz YQVGVBAEABNZEM-DZFGPLHGSA-N 0 0 492.089 4.676 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001448909339 1066968803 /nfs/dbraw/zinc/96/88/03/1066968803.db2.gz OEQSAZAGDDTGNM-AZUAARDMSA-N 0 0 454.571 4.614 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1sc2ccccc2c1Cl ZINC001545708241 1066969088 /nfs/dbraw/zinc/96/90/88/1066969088.db2.gz FMEYPJHDMCSHNW-ZDUSSCGKSA-N 0 0 457.991 4.595 20 0 JJADRN COc1ccc(CN(C(=O)c2nc(N3CCCC3)ncc2Cl)C2CCCCC2)cc1OC ZINC001458079609 1066969232 /nfs/dbraw/zinc/96/92/32/1066969232.db2.gz FBIRLIKLHWXPFC-UHFFFAOYSA-N 0 0 458.990 4.723 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC2(CCOCC2)O1 ZINC001448912202 1066969306 /nfs/dbraw/zinc/96/93/06/1066969306.db2.gz DCPIFWNVQGTGFE-IERDGZPVSA-N 0 0 450.362 4.910 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001545709263 1066969328 /nfs/dbraw/zinc/96/93/28/1066969328.db2.gz YTXDPWIBGLDVIE-CZAYHTPWSA-N 0 0 498.672 4.551 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001545709262 1066969503 /nfs/dbraw/zinc/96/95/03/1066969503.db2.gz YTXDPWIBGLDVIE-BLKABHOGSA-N 0 0 498.672 4.551 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)NC(=O)OC(C)(C)C ZINC001546010480 1066969729 /nfs/dbraw/zinc/96/97/29/1066969729.db2.gz MMALQYQAAXHOMT-ILWGZMRPSA-N 0 0 483.657 4.869 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1OC ZINC001448921159 1066969952 /nfs/dbraw/zinc/96/99/52/1066969952.db2.gz LACDMVJYDYYAIC-PBHICJAKSA-N 0 0 452.482 4.627 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@H]1CCCC1(C)C)c1ccccc1 ZINC001545710614 1066970127 /nfs/dbraw/zinc/97/01/27/1066970127.db2.gz DNNDABAUTHQNOZ-ICDZXHCJSA-N 0 0 494.728 4.683 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCCCC2)CC1 ZINC001545710741 1066970264 /nfs/dbraw/zinc/97/02/64/1066970264.db2.gz GPCRJEOPGJOVAJ-QFIPXVFZSA-N 0 0 494.728 4.860 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cn2)c1 ZINC001448927051 1066970547 /nfs/dbraw/zinc/97/05/47/1066970547.db2.gz ALWDLVOKMGCXCD-UHFFFAOYSA-N 0 0 451.592 4.658 20 0 JJADRN Cc1cc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C2CC2)ccc1F ZINC001458084031 1066970518 /nfs/dbraw/zinc/97/05/18/1066970518.db2.gz NPJLBOXZPUGFJJ-GOTSBHOMSA-N 0 0 451.542 4.678 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NCc3ccccc3CO)cs2)cc1 ZINC001545712541 1066970633 /nfs/dbraw/zinc/97/06/33/1066970633.db2.gz ZLJUWKFCBYCDCO-UHFFFAOYSA-N 0 0 453.564 4.503 20 0 JJADRN C[C@@H]1CN(CCN(C)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927619 1066970946 /nfs/dbraw/zinc/97/09/46/1066970946.db2.gz DJAZDOITDNEKJI-HYFFOGBASA-N 0 0 451.394 4.681 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)cc1 ZINC001448929985 1066971156 /nfs/dbraw/zinc/97/11/56/1066971156.db2.gz ICGYDSBZDOQERZ-PGRDOPGGSA-N 0 0 454.357 4.956 20 0 JJADRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(Cl)c(Br)cc1F ZINC001448931317 1066971507 /nfs/dbraw/zinc/97/15/07/1066971507.db2.gz CARCCNGWTFXWCW-ZDUSSCGKSA-N 0 0 456.617 4.604 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001458088946 1066971373 /nfs/dbraw/zinc/97/13/73/1066971373.db2.gz PDGKRUPNJTVIIP-UHFFFAOYSA-N 0 0 455.356 4.584 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1C[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC001545717192 1066971829 /nfs/dbraw/zinc/97/18/29/1066971829.db2.gz HLHIJJBZCLSJAY-JAXLGGSGSA-N 0 0 452.672 4.857 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1)NC(=O)OC(C)(C)C ZINC001546010595 1066971974 /nfs/dbraw/zinc/97/19/74/1066971974.db2.gz OECDLZQAKPNOIS-FQEVSTJZSA-N 0 0 469.586 4.698 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)cc1 ZINC001448937178 1066972263 /nfs/dbraw/zinc/97/22/63/1066972263.db2.gz NKFQJBJFROXHRA-UHFFFAOYSA-N 0 0 456.546 4.682 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001448937032 1066972276 /nfs/dbraw/zinc/97/22/76/1066972276.db2.gz MPETXJXZGSXGAW-IFMALSPDSA-N 0 0 467.610 4.555 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1Cl ZINC001448943698 1066972298 /nfs/dbraw/zinc/97/22/98/1066972298.db2.gz WHDMSFJYIAXUFZ-CQSZACIVSA-N 0 0 452.654 4.773 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545717376 1066972247 /nfs/dbraw/zinc/97/22/47/1066972247.db2.gz KOWFKYPVCVKECV-BMRYZAIJSA-N 0 0 490.714 4.529 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545717378 1066972259 /nfs/dbraw/zinc/97/22/59/1066972259.db2.gz KOWFKYPVCVKECV-WPMOPGCQSA-N 0 0 490.714 4.529 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1 ZINC001545717377 1066972344 /nfs/dbraw/zinc/97/23/44/1066972344.db2.gz KOWFKYPVCVKECV-LXCVFVNYSA-N 0 0 490.714 4.529 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccc(O)cc2)cc1OC ZINC001545718337 1066972354 /nfs/dbraw/zinc/97/23/54/1066972354.db2.gz CWXGLSKNMIERKB-UHFFFAOYSA-N 0 0 457.530 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3ccccc3[C@@H](O)c3ccccn3)cc21 ZINC001448942254 1066972349 /nfs/dbraw/zinc/97/23/49/1066972349.db2.gz RIFLTAABULGEAK-RUZDIDTESA-N 0 0 459.546 4.642 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)cc2s1 ZINC001448943870 1066972625 /nfs/dbraw/zinc/97/26/25/1066972625.db2.gz YCBMMOWFCWNIIQ-GFCCVEGCSA-N 0 0 459.515 4.566 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC001546010728 1066972752 /nfs/dbraw/zinc/97/27/52/1066972752.db2.gz QRZJXQMPBCZKRV-UXHICEINSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](SC)C1)Oc1ccccc1F ZINC001546010711 1066972775 /nfs/dbraw/zinc/97/27/75/1066972775.db2.gz QIBIWVONLWVMHJ-RTWAWAEBSA-N 0 0 486.661 4.858 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545719255 1066972790 /nfs/dbraw/zinc/97/27/90/1066972790.db2.gz CRHQHJFOTQLQNE-UXHICEINSA-N 0 0 473.593 4.849 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)cc21 ZINC001546096921 1066972861 /nfs/dbraw/zinc/97/28/61/1066972861.db2.gz YAYYWUZENGVLJL-CYBMUJFWSA-N 0 0 456.877 4.750 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001545719397 1066973109 /nfs/dbraw/zinc/97/31/09/1066973109.db2.gz GHEFFIXTOYUNFK-IJXRJRJASA-N 0 0 465.564 4.932 20 0 JJADRN COc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc(OC)c1Br ZINC001458094195 1066973328 /nfs/dbraw/zinc/97/33/28/1066973328.db2.gz KQGORTKXIXHRAZ-UHFFFAOYSA-N 0 0 454.292 4.813 20 0 JJADRN O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001458094501 1066973347 /nfs/dbraw/zinc/97/33/47/1066973347.db2.gz ABTFIXXVLHDMNS-IBGZPJMESA-N 0 0 450.651 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)cn2)C1 ZINC001448962608 1066973676 /nfs/dbraw/zinc/97/36/76/1066973676.db2.gz GRFRQPILLXXNTE-BWAGFHJFSA-N 0 0 456.562 4.660 20 0 JJADRN CC(C)c1nc(N(C)C)nc(N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC001458095622 1066973541 /nfs/dbraw/zinc/97/35/41/1066973541.db2.gz KVQOKXYMJXYYJS-UHFFFAOYSA-N 0 0 457.047 4.765 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458095003 1066973777 /nfs/dbraw/zinc/97/37/77/1066973777.db2.gz NUDOOMITOPSJHW-CXSQMQJXSA-N 0 0 454.498 4.740 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)N(CCO)Cc1ccc(Br)s1 ZINC001448964636 1066974103 /nfs/dbraw/zinc/97/41/03/1066974103.db2.gz BMNANHKLBXBSFH-UHFFFAOYSA-N 0 0 453.427 4.854 20 0 JJADRN Cc1ncc(I)c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC001458095842 1066974049 /nfs/dbraw/zinc/97/40/49/1066974049.db2.gz ICIITXJFBPKTAI-HTQZYQBOSA-N 0 0 453.168 4.711 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)o2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458096668 1066974079 /nfs/dbraw/zinc/97/40/79/1066974079.db2.gz STJLYYVYLBZEMG-HNNXBMFYSA-N 0 0 454.502 4.605 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545719786 1066974099 /nfs/dbraw/zinc/97/40/99/1066974099.db2.gz MBSAMHVNVLPVCK-IRXDYDNUSA-N 0 0 465.545 4.763 20 0 JJADRN Cc1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1Oc1ncccc1Br ZINC001448972934 1066974394 /nfs/dbraw/zinc/97/43/94/1066974394.db2.gz VGIGGNDMLSITBC-QRTMHTFLSA-N 0 0 453.336 4.976 20 0 JJADRN CC(C)c1ccc(OCCC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)cc1 ZINC001448971258 1066974404 /nfs/dbraw/zinc/97/44/04/1066974404.db2.gz NCXIHFXSUZSFMJ-UHFFFAOYSA-N 0 0 453.564 4.555 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCOC2(CCCCC2)C1)c1cccc(Br)c1 ZINC001448972571 1066974450 /nfs/dbraw/zinc/97/44/50/1066974450.db2.gz OCMJEOLFBOTXMJ-UHFFFAOYSA-N 0 0 457.368 4.877 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1 ZINC001545720453 1066974780 /nfs/dbraw/zinc/97/47/80/1066974780.db2.gz XEIIQFNZWVCQEX-YADHBBJMSA-N 0 0 476.673 4.803 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCc2cnn(Cc3ccccc3)c2)n1 ZINC001458098930 1066974956 /nfs/dbraw/zinc/97/49/56/1066974956.db2.gz KOGOZVLSJMERFI-UHFFFAOYSA-N 0 0 458.225 4.562 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(SC3CCCC3)cc2)s1 ZINC001458100087 1066975094 /nfs/dbraw/zinc/97/50/94/1066975094.db2.gz ZIGOAFKRPJHSDT-LJQANCHMSA-N 0 0 450.651 4.883 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)c1ccccc1 ZINC001545720443 1066974995 /nfs/dbraw/zinc/97/49/95/1066974995.db2.gz XCKFOIUFNZMNRW-OALUTQOASA-N 0 0 475.424 4.859 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001448977352 1066975065 /nfs/dbraw/zinc/97/50/65/1066975065.db2.gz DTLFBQMOACVSOZ-FQEVSTJZSA-N 0 0 451.007 4.636 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccnc(CSc3ccccc3)n2)CC1 ZINC001458100106 1066975137 /nfs/dbraw/zinc/97/51/37/1066975137.db2.gz IOHBAVAKFCLASU-UHFFFAOYSA-N 0 0 458.509 4.750 20 0 JJADRN O=C(c1cc2c([nH]1)c(Cl)ccc2Br)N1CCC[C@H](Oc2ncccc2F)C1 ZINC001448984854 1066975402 /nfs/dbraw/zinc/97/54/02/1066975402.db2.gz AAKMIOMSLFSAGO-NSHDSACASA-N 0 0 452.711 4.802 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001545721119 1066975589 /nfs/dbraw/zinc/97/55/89/1066975589.db2.gz PEYIFBCHGQDQCM-UHFFFAOYSA-N 0 0 456.539 4.572 20 0 JJADRN Cc1cc(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)n(C2CCOCC2)n1 ZINC001458101843 1066975723 /nfs/dbraw/zinc/97/57/23/1066975723.db2.gz GGOLOLNJDIOKJQ-UHFFFAOYSA-N 0 0 457.328 4.745 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N(C)c1ncccc1F ZINC001458102101 1066975737 /nfs/dbraw/zinc/97/57/37/1066975737.db2.gz MVNGQODBSHVUOE-CYBMUJFWSA-N 0 0 454.552 4.883 20 0 JJADRN CC(C)(CO)[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC001448993549 1066976092 /nfs/dbraw/zinc/97/60/92/1066976092.db2.gz CRWFCXKHHUZMJE-FQEVSTJZSA-N 0 0 459.409 4.991 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccccn2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545721805 1066976536 /nfs/dbraw/zinc/97/65/36/1066976536.db2.gz HGXPRWPUIDWHFU-DEOSSOPVSA-N 0 0 460.626 4.644 20 0 JJADRN C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458103750 1066976550 /nfs/dbraw/zinc/97/65/50/1066976550.db2.gz HXAUUQHJYYWNER-NBGIEHNGSA-N 0 0 455.570 4.607 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1CCn1cc(Br)cn1)c1ccccc1 ZINC001545722037 1066976832 /nfs/dbraw/zinc/97/68/32/1066976832.db2.gz MFGNBFVUPYNJIK-FQEVSTJZSA-N 0 0 498.429 4.720 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccco2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545722025 1066976939 /nfs/dbraw/zinc/97/69/39/1066976939.db2.gz MBWPAJBYLQGFHM-NRFANRHFSA-N 0 0 453.587 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001449010793 1066976958 /nfs/dbraw/zinc/97/69/58/1066976958.db2.gz JUKMKPQHOSMHQX-XKQJLSEDSA-N 0 0 455.368 4.596 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C(F)(F)F)cc1 ZINC001458104732 1066977084 /nfs/dbraw/zinc/97/70/84/1066977084.db2.gz MVJUJXLQXNGYNV-LJQANCHMSA-N 0 0 451.441 4.548 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnn(CC)c2)n1Cc1cccc(Br)n1)c1ccccc1 ZINC001545722163 1066977319 /nfs/dbraw/zinc/97/73/19/1066977319.db2.gz PKTMXOQIISZFNB-NRFANRHFSA-N 0 0 494.441 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449019958 1066977248 /nfs/dbraw/zinc/97/72/48/1066977248.db2.gz DSNJVGQRIQODLL-JIBOQIRGSA-N 0 0 468.425 4.772 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC001449018576 1066977290 /nfs/dbraw/zinc/97/72/90/1066977290.db2.gz MYTYHLQXIOSUGO-RDJZCZTQSA-N 0 0 458.253 4.841 20 0 JJADRN CC(C)(C)n1nc(Br)c2c1ncnc2NCCOc1ccc(C(F)(F)F)cc1 ZINC001458106773 1066977348 /nfs/dbraw/zinc/97/73/48/1066977348.db2.gz QVTLNBWKQDTFLT-UHFFFAOYSA-N 0 0 458.282 4.854 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C(F)(F)F)cc1 ZINC001458106719 1066977729 /nfs/dbraw/zinc/97/77/29/1066977729.db2.gz RUWSOLCTBZSCLF-SXGZJXTBSA-N 0 0 451.441 4.547 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2scnc2C)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545722485 1066978314 /nfs/dbraw/zinc/97/83/14/1066978314.db2.gz VLCVEGYPSYUKIY-IBGZPJMESA-N 0 0 464.643 4.616 20 0 JJADRN O=C(c1ccc(OCc2ccccc2)cn1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449038988 1066978549 /nfs/dbraw/zinc/97/85/49/1066978549.db2.gz DALQYVKZYHNRBS-UHFFFAOYSA-N 0 0 456.464 4.803 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC001458111433 1066978894 /nfs/dbraw/zinc/97/88/94/1066978894.db2.gz OSSGFVWGSINCGD-JOCHJYFZSA-N 0 0 455.620 4.638 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001458111209 1066978940 /nfs/dbraw/zinc/97/89/40/1066978940.db2.gz JZUNNUNZNOIYEY-UHFFFAOYSA-N 0 0 456.530 4.781 20 0 JJADRN O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449043049 1066978946 /nfs/dbraw/zinc/97/89/46/1066978946.db2.gz LZZKZOSWOHBZTC-UHFFFAOYSA-N 0 0 451.832 4.533 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC001449047221 1066979009 /nfs/dbraw/zinc/97/90/09/1066979009.db2.gz RGZRWTMHZFGQIO-SFHVURJKSA-N 0 0 450.764 4.757 20 0 JJADRN CC(C)(C)n1nc(Br)c2c1ncnc2NCCOc1cccc(C(F)(F)F)c1 ZINC001458112049 1066979454 /nfs/dbraw/zinc/97/94/54/1066979454.db2.gz OYLKUKISFNUXRM-UHFFFAOYSA-N 0 0 458.282 4.854 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC001458111684 1066979569 /nfs/dbraw/zinc/97/95/69/1066979569.db2.gz RBIGRIWHFALBPG-UHFFFAOYSA-N 0 0 452.041 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001449050146 1066979816 /nfs/dbraw/zinc/97/98/16/1066979816.db2.gz RLFNBFINFKHZLE-UHFFFAOYSA-N 0 0 458.321 4.548 20 0 JJADRN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449049739 1066979997 /nfs/dbraw/zinc/97/99/97/1066979997.db2.gz XGXLIVCKRFXTSW-UHFFFAOYSA-N 0 0 451.723 4.847 20 0 JJADRN CCCOc1cccc(CCNC(=O)Cc2ccc(Br)c(Br)c2)c1 ZINC001458115922 1066980262 /nfs/dbraw/zinc/98/02/62/1066980262.db2.gz QBHKHGYVFYDTSZ-UHFFFAOYSA-N 0 0 455.190 4.902 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545724115 1066980534 /nfs/dbraw/zinc/98/05/34/1066980534.db2.gz MCZWJPOPGZQPDH-DLBZAZTESA-N 0 0 457.363 4.813 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cscc2C)c1 ZINC001458118427 1066980627 /nfs/dbraw/zinc/98/06/27/1066980627.db2.gz XXIOALNJQVEVRW-UHFFFAOYSA-N 0 0 450.969 4.796 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc2cc(C)cn2c1 ZINC001546011312 1066980803 /nfs/dbraw/zinc/98/08/03/1066980803.db2.gz CEGCOFNJBLGHSL-UHFFFAOYSA-N 0 0 456.612 4.743 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545724277 1066980786 /nfs/dbraw/zinc/98/07/86/1066980786.db2.gz OKHUVRBCTFHHCP-SIKLNZKXSA-N 0 0 459.585 4.560 20 0 JJADRN COC(=O)COc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1Cl ZINC001458120095 1066981072 /nfs/dbraw/zinc/98/10/72/1066981072.db2.gz AMHQXXZFXBRYOE-UHFFFAOYSA-N 0 0 451.331 4.850 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001449072649 1066981132 /nfs/dbraw/zinc/98/11/32/1066981132.db2.gz GYVMXDOTBBNIPW-MOPGFXCFSA-N 0 0 455.640 4.518 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@@H]1CCCCO1)c1ccccc1 ZINC001545724542 1066981322 /nfs/dbraw/zinc/98/13/22/1066981322.db2.gz SHGWQDAPQDGVKO-XZOQPEGZSA-N 0 0 456.631 4.615 20 0 JJADRN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001449072372 1066981307 /nfs/dbraw/zinc/98/13/07/1066981307.db2.gz IFOALNNPEWOQQS-HNNXBMFYSA-N 0 0 456.980 4.581 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001449080404 1066981489 /nfs/dbraw/zinc/98/14/89/1066981489.db2.gz UVODERGTTWKWKC-PKOBYXMFSA-N 0 0 454.617 4.697 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1Cc1ccnc(-n2cccn2)c1)c1ccccc1 ZINC001545725811 1066982320 /nfs/dbraw/zinc/98/23/20/1066982320.db2.gz DACOSMLKOWYMGR-HXUWFJFHSA-N 0 0 469.515 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1nc2c(cccc2Br)s1 ZINC001449102015 1066982401 /nfs/dbraw/zinc/98/24/01/1066982401.db2.gz AOWOMZBPSMIHNH-VIFPVBQESA-N 0 0 450.305 4.546 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccn(CC(F)(F)F)n2)cc1Br ZINC001458123768 1066982396 /nfs/dbraw/zinc/98/23/96/1066982396.db2.gz NNQROKOADSUYIU-UHFFFAOYSA-N 0 0 455.072 4.785 20 0 JJADRN CC[C@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545725977 1066982688 /nfs/dbraw/zinc/98/26/88/1066982688.db2.gz HFORPMRPGHNQAG-YKSBVNFPSA-N 0 0 494.684 4.776 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545726129 1066982748 /nfs/dbraw/zinc/98/27/48/1066982748.db2.gz JUUXCJCHIOBMIL-LJQANCHMSA-N 0 0 465.564 4.857 20 0 JJADRN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC001458124685 1066982728 /nfs/dbraw/zinc/98/27/28/1066982728.db2.gz UKYUWVBYHSHSPB-WMZOPIPTSA-N 0 0 456.917 4.843 20 0 JJADRN O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2ccc3ccc(Br)cc3c2)C1 ZINC001449105981 1066982745 /nfs/dbraw/zinc/98/27/45/1066982745.db2.gz RLJNKYNKYQMZCI-QGZVFWFLSA-N 0 0 457.290 4.666 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NCc1cc(F)c(F)cc1Br ZINC001449107608 1066982774 /nfs/dbraw/zinc/98/27/74/1066982774.db2.gz KWMINWZGMYIKEE-UHFFFAOYSA-N 0 0 459.287 4.583 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H](C)c1cccc(F)c1F ZINC001458124373 1066982829 /nfs/dbraw/zinc/98/28/29/1066982829.db2.gz VSJICIFINDZFML-LLVKDONJSA-N 0 0 451.395 4.846 20 0 JJADRN CCN(CC(=O)N1CCCCCC1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001449106718 1066982835 /nfs/dbraw/zinc/98/28/35/1066982835.db2.gz KWBXFNKNXFDDJK-UHFFFAOYSA-N 0 0 450.608 4.525 20 0 JJADRN CCN(CC(=O)N1CCCCCC1)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001449108024 1066982977 /nfs/dbraw/zinc/98/29/77/1066982977.db2.gz PAGOBHCXYNDSIH-UHFFFAOYSA-N 0 0 457.018 4.659 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001449103400 1066983022 /nfs/dbraw/zinc/98/30/22/1066983022.db2.gz OAULRFSHPAEFGG-MDZRGWNJSA-N 0 0 450.649 4.580 20 0 JJADRN CC[C@H](c1nnc(N(C)CCc2cccs2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545725915 1066982953 /nfs/dbraw/zinc/98/29/53/1066982953.db2.gz GIOBRNBCIFGADM-QHCPKHFHSA-N 0 0 465.667 4.963 20 0 JJADRN Cc1c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cnn1-c1ccccc1F ZINC001458125383 1066983013 /nfs/dbraw/zinc/98/30/13/1066983013.db2.gz AREFQFKOHMUKQG-RPIYSHSISA-N 0 0 456.562 4.978 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC(F)F)n1Cc1ccnc(-n2cccn2)c1)c1ccccc1 ZINC001545726006 1066983075 /nfs/dbraw/zinc/98/30/75/1066983075.db2.gz HWYLKINJHRXSFK-FQEVSTJZSA-N 0 0 451.525 4.540 20 0 JJADRN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458126036 1066983106 /nfs/dbraw/zinc/98/31/06/1066983106.db2.gz WEIJJQCTUBJHKN-KBPBESRZSA-N 0 0 457.543 4.624 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)cc1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC001449112183 1066983305 /nfs/dbraw/zinc/98/33/05/1066983305.db2.gz XAKOLNBAXUSKAN-UHFFFAOYSA-N 0 0 456.167 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3c(Cl)n[nH]c3C3CC3)s2)CC1 ZINC001449114384 1066983448 /nfs/dbraw/zinc/98/34/48/1066983448.db2.gz DJRFPRNQNGNXKI-UHFFFAOYSA-N 0 0 451.980 4.764 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)c2)n1C ZINC001458126900 1066983495 /nfs/dbraw/zinc/98/34/95/1066983495.db2.gz LXKSQYNPMLOHPM-OAQYLSRUSA-N 0 0 455.603 4.840 20 0 JJADRN COc1ccccc1/C=C(/C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)c1ccccc1 ZINC001449120244 1066983722 /nfs/dbraw/zinc/98/37/22/1066983722.db2.gz MKUWMZDRYRWSOR-HMMYKYKNSA-N 0 0 450.485 4.989 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545726774 1066983799 /nfs/dbraw/zinc/98/37/99/1066983799.db2.gz WYVOLFHSCLOLOM-ZLNRFVROSA-N 0 0 490.714 4.532 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)c3c(C)onc3-c3cccc(Br)c3)c2)n1C ZINC001458127805 1066983939 /nfs/dbraw/zinc/98/39/39/1066983939.db2.gz RNHSGVSEEPVNFR-UHFFFAOYSA-N 0 0 452.312 4.769 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 ZINC001458128397 1066984040 /nfs/dbraw/zinc/98/40/40/1066984040.db2.gz FMMHVSLJBLSPOV-UHFFFAOYSA-N 0 0 456.474 4.509 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c(O[C@@H]2CCOC2)c1 ZINC001545727448 1066984183 /nfs/dbraw/zinc/98/41/83/1066984183.db2.gz OWIARUDXJLHTPT-GOSISDBHSA-N 0 0 459.974 4.666 20 0 JJADRN CC(C)NS(=O)(=O)CCNc1nc(-c2ccsc2)nc2scc(-c3ccccc3)c21 ZINC001458130555 1066984273 /nfs/dbraw/zinc/98/42/73/1066984273.db2.gz AVAZMEBHQQJYIJ-UHFFFAOYSA-N 0 0 458.634 4.827 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)OCc1cn(-c2ccccc2)nn1 ZINC001458130771 1066984306 /nfs/dbraw/zinc/98/43/06/1066984306.db2.gz LFCKZJTXHFPWIZ-UHFFFAOYSA-N 0 0 456.333 4.663 20 0 JJADRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncnc2scc(-c3cccs3)c21 ZINC001458131263 1066984348 /nfs/dbraw/zinc/98/43/48/1066984348.db2.gz UQYFXWFCCBFFLR-UHFFFAOYSA-N 0 0 459.618 4.729 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1CCN1CCOCC1(C)C)c1ccccc1 ZINC001545727868 1066984698 /nfs/dbraw/zinc/98/46/98/1066984698.db2.gz AVDFCEFUEAVZAR-ZJSXRUAMSA-N 0 0 453.675 4.946 20 0 JJADRN CC[C@@H](c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545727820 1066984817 /nfs/dbraw/zinc/98/48/17/1066984817.db2.gz AAOYMUWPSPDYIX-LJQANCHMSA-N 0 0 479.071 4.597 20 0 JJADRN CS(=O)(=O)c1ccc(NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC001458134752 1066985229 /nfs/dbraw/zinc/98/52/29/1066985229.db2.gz BFKOSISXBZRKEC-UHFFFAOYSA-N 0 0 452.967 4.646 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1CC1CC(C)(C)C1)c1ccccc1 ZINC001545728308 1066985587 /nfs/dbraw/zinc/98/55/87/1066985587.db2.gz JSINAUKROAAEQZ-FGCOXFRFSA-N 0 0 481.685 4.624 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cccs2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728182 1066985613 /nfs/dbraw/zinc/98/56/13/1066985613.db2.gz HFVQEGSCMUUGAY-YADHBBJMSA-N 0 0 472.680 4.875 20 0 JJADRN CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CCN1CCOC[C@@H]1C)c1ccccc1 ZINC001545728558 1066985813 /nfs/dbraw/zinc/98/58/13/1066985813.db2.gz NKWBYEOUHRHWJG-WIOPSUGQSA-N 0 0 453.675 4.946 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccnc1)C(C)C)c1ccccc1 ZINC001545728455 1066986104 /nfs/dbraw/zinc/98/61/04/1066986104.db2.gz LPOJSHFFGBHCIU-GVAUOCQISA-N 0 0 495.693 4.668 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC001449161545 1066986261 /nfs/dbraw/zinc/98/62/61/1066986261.db2.gz MBOQRBRFDWDHGQ-QGZVFWFLSA-N 0 0 459.974 4.952 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728701 1066986395 /nfs/dbraw/zinc/98/63/95/1066986395.db2.gz PUAVQHDFVCXMHF-WTIAFYNJSA-N 0 0 458.672 4.802 20 0 JJADRN CC[C@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC1(CC(C)C)CC1)c1ccccc1 ZINC001545728625 1066986444 /nfs/dbraw/zinc/98/64/44/1066986444.db2.gz OQJSSPPGPNJVOQ-VXKWHMMOSA-N 0 0 458.672 4.660 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001449167604 1066986709 /nfs/dbraw/zinc/98/67/09/1066986709.db2.gz CNXPMSZWIGARCU-OAHLLOKOSA-N 0 0 451.539 4.998 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3ccncc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001449171292 1066987104 /nfs/dbraw/zinc/98/71/04/1066987104.db2.gz BRKFEBKQASPBCS-SELNLUPBSA-N 0 0 457.977 4.968 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCCN(c4ccccc4Cl)CC3)[nH]n2)c1C ZINC001449168136 1066987120 /nfs/dbraw/zinc/98/71/20/1066987120.db2.gz DFDMYRIURISJDJ-INIZCTEOSA-N 0 0 455.006 4.867 20 0 JJADRN CCNC(=O)C(C)(C)CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2 ZINC001458145573 1066987163 /nfs/dbraw/zinc/98/71/63/1066987163.db2.gz KEAUDDRWSIPBQB-KNTRCKAVSA-N 0 0 457.574 4.622 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CCC[C@@H](c2ccncc2)C1)NCC1CCCCC1 ZINC001449174737 1066987369 /nfs/dbraw/zinc/98/73/69/1066987369.db2.gz IGMBEENRZWRXND-JOCHJYFZSA-N 0 0 451.636 4.890 20 0 JJADRN CC(C)[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1 ZINC001458146320 1066987475 /nfs/dbraw/zinc/98/74/75/1066987475.db2.gz JWMUYIKOUYUPCU-SFHVURJKSA-N 0 0 455.527 4.522 20 0 JJADRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001545730321 1066987541 /nfs/dbraw/zinc/98/75/41/1066987541.db2.gz XHCYODVRLYURCB-ZDUSSCGKSA-N 0 0 452.312 4.689 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545730544 1066987801 /nfs/dbraw/zinc/98/78/01/1066987801.db2.gz BJKBPBCHOCERLZ-YUELXQCFSA-N 0 0 497.306 4.964 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC001458146907 1066987897 /nfs/dbraw/zinc/98/78/97/1066987897.db2.gz YIFGXDRUWGIFKV-RUZDIDTESA-N 0 0 452.938 4.709 20 0 JJADRN CCCc1c(C(=O)N2CCCN(c3ccccc3Cl)CC2)nnn1-c1cccc(Cl)c1 ZINC001449179750 1066988071 /nfs/dbraw/zinc/98/80/71/1066988071.db2.gz XYTNPMOVTOOJKX-UHFFFAOYSA-N 0 0 458.393 4.879 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001458148384 1066988414 /nfs/dbraw/zinc/98/84/14/1066988414.db2.gz KINCONGTJLDNMD-AWEZNQCLSA-N 0 0 459.333 4.608 20 0 JJADRN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001449191704 1066988601 /nfs/dbraw/zinc/98/86/01/1066988601.db2.gz MKSQOCZVKGOPNK-CABCVRRESA-N 0 0 457.452 4.866 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001545730859 1066988827 /nfs/dbraw/zinc/98/88/27/1066988827.db2.gz HEBYLNLBIKAJJX-AOXNNKNRSA-N 0 0 484.666 4.635 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NC[C@H](O)Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449202584 1066988901 /nfs/dbraw/zinc/98/89/01/1066988901.db2.gz JKCIIFNLOOBNJN-ZPWPBLDLSA-N 0 0 458.583 4.955 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3C)c2)cc1 ZINC001449204525 1066989158 /nfs/dbraw/zinc/98/91/58/1066989158.db2.gz NKSLLUJQEZLVFS-UHFFFAOYSA-N 0 0 451.592 4.975 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152121 1066989216 /nfs/dbraw/zinc/98/92/16/1066989216.db2.gz GHFOLHJEFWXAGQ-UZTOHYMASA-N 0 0 459.638 4.831 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC001449208445 1066989322 /nfs/dbraw/zinc/98/93/22/1066989322.db2.gz GBAGTXVWBNWWRU-UHFFFAOYSA-N 0 0 453.583 4.793 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)CCc1cc(Br)ccc1F ZINC001458153005 1066989724 /nfs/dbraw/zinc/98/97/24/1066989724.db2.gz IWCNMPNHWDHZNY-UHFFFAOYSA-N 0 0 459.153 4.951 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001449209453 1066989766 /nfs/dbraw/zinc/98/97/66/1066989766.db2.gz JIRZCPXYCGKTCJ-UHFFFAOYSA-N 0 0 456.587 4.624 20 0 JJADRN COC1(c2ccccc2)CN(C(=O)CCc2cc(Br)c(Br)s2)C1 ZINC001449218514 1066989922 /nfs/dbraw/zinc/98/99/22/1066989922.db2.gz WHSVAHHIXHJRDA-UHFFFAOYSA-N 0 0 459.203 4.590 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1 ZINC001449214724 1066990042 /nfs/dbraw/zinc/99/00/42/1066990042.db2.gz HRZVLZWLEVMRCJ-QGZVFWFLSA-N 0 0 450.501 4.704 20 0 JJADRN C[S@@](=O)Cc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC001449218589 1066990139 /nfs/dbraw/zinc/99/01/39/1066990139.db2.gz SXTRNFVKCQSRLX-WJOKGBTCSA-N 0 0 453.951 4.594 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154598 1066990295 /nfs/dbraw/zinc/99/02/95/1066990295.db2.gz OMEMKPQZPKMLRW-CYFREDJKSA-N 0 0 451.611 4.718 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](CC)[C@H](N3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731299 1066990574 /nfs/dbraw/zinc/99/05/74/1066990574.db2.gz MPNISWYTMLSFKA-KSEOMHKRSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155682 1066990827 /nfs/dbraw/zinc/99/08/27/1066990827.db2.gz RDLBXPOKSHERPT-FDDCHVKYSA-N 0 0 459.034 4.846 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546012233 1066990828 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BNMKTCTZSIOZLQ-UHFFFAOYSA-N 0 0 458.649 4.816 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545731924 1066991918 /nfs/dbraw/zinc/99/19/18/1066991918.db2.gz VGVRVCSMNYLQPO-CXTNQITHSA-N 0 0 470.658 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449241600 1066992188 /nfs/dbraw/zinc/99/21/88/1066992188.db2.gz OJIISHUIDIFGTD-LRPGSQBCSA-N 0 0 457.398 4.736 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158326 1066992218 /nfs/dbraw/zinc/99/22/18/1066992218.db2.gz ZZGWEWSGRHZJNE-VGSWGCGISA-N 0 0 452.624 4.717 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545731984 1066992703 /nfs/dbraw/zinc/99/27/03/1066992703.db2.gz VYITZOQWVCZVCK-HQRMLTQVSA-N 0 0 493.505 4.589 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545731987 1066992743 /nfs/dbraw/zinc/99/27/43/1066992743.db2.gz 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4.906 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001458234907 1067009374 /nfs/dbraw/zinc/00/93/74/1067009374.db2.gz ZPJXHCKEMFEJEF-AWEZNQCLSA-N 0 0 453.568 4.707 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)C(F)(F)F)cc1 ZINC001458234546 1067009412 /nfs/dbraw/zinc/00/94/12/1067009412.db2.gz YPMFPVJWFMIWDD-GOSISDBHSA-N 0 0 457.374 4.992 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743055 1067009444 /nfs/dbraw/zinc/00/94/44/1067009444.db2.gz CTZQGHWSKRPXLY-URXFXBBRSA-N 0 0 479.591 4.711 20 0 JJADRN CN(CCC(=O)Nc1ccc(O)c(F)c1F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449449351 1067009613 /nfs/dbraw/zinc/00/96/13/1067009613.db2.gz QIOLYWAFPKEGOT-UHFFFAOYSA-N 0 0 452.457 4.880 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2=O)CC1)OC ZINC001546014271 1067009643 /nfs/dbraw/zinc/00/96/43/1067009643.db2.gz FMPNAVKUIDCPLB-FQEVSTJZSA-N 0 0 492.089 4.630 20 0 JJADRN CC[C@@H](c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCCCCO)c1ccccc1 ZINC001545743175 1067009743 /nfs/dbraw/zinc/00/97/43/1067009743.db2.gz FNNFOKSIAWBEKV-HXUWFJFHSA-N 0 0 488.558 4.744 20 0 JJADRN Cc1cccnc1CCCNC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449455838 1067010012 /nfs/dbraw/zinc/01/00/12/1067010012.db2.gz PQNNKTJEEWFFNZ-FQEVSTJZSA-N 0 0 457.574 4.614 20 0 JJADRN CC[C@H](c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545743401 1067010018 /nfs/dbraw/zinc/01/00/18/1067010018.db2.gz JPYDFUOJRAYVGM-SFHVURJKSA-N 0 0 481.588 4.522 20 0 JJADRN CCOc1ccc(-n2c(Sc3nc(C)cc(C(F)(F)F)n3)nnc2-c2ccccn2)cc1 ZINC001458240837 1067010162 /nfs/dbraw/zinc/01/01/62/1067010162.db2.gz BRUAIUPGMHMURN-UHFFFAOYSA-N 0 0 458.469 4.996 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743644 1067010111 /nfs/dbraw/zinc/01/01/11/1067010111.db2.gz OLLQRRGAVKKNCJ-AJTFRIOCSA-N 0 0 483.657 4.742 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC001545743758 1067010788 /nfs/dbraw/zinc/01/07/88/1067010788.db2.gz QFHSGPBONMRYJW-DENIHFKCSA-N 0 0 466.548 4.529 20 0 JJADRN CC1(C)CCC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001585180173 1067010984 /nfs/dbraw/zinc/01/09/84/1067010984.db2.gz YUHNGDWNVDXBBL-VIFPVBQESA-N 0 0 454.121 4.891 20 0 JJADRN CC[C@@H](c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001545744120 1067010995 /nfs/dbraw/zinc/01/09/95/1067010995.db2.gz WTOCGDCNYBQJTD-GOSISDBHSA-N 0 0 499.528 4.904 20 0 JJADRN Cn1cc([C@H](NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c2ccccc2)cn1 ZINC001458245401 1067011185 /nfs/dbraw/zinc/01/11/85/1067011185.db2.gz MXPSOIHJUNIBJT-QGZVFWFLSA-N 0 0 456.237 4.860 20 0 JJADRN CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545744306 1067011422 /nfs/dbraw/zinc/01/14/22/1067011422.db2.gz ZVIZLQXYPIHGQG-IRXDYDNUSA-N 0 0 494.480 4.681 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545745369 1067011730 /nfs/dbraw/zinc/01/17/30/1067011730.db2.gz ALVKHCRRRPQZHY-RDQXJMKESA-N 0 0 468.642 4.805 20 0 JJADRN CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001546014755 1067011764 /nfs/dbraw/zinc/01/17/64/1067011764.db2.gz NLRHPGQPWDAFET-NIYFSFCBSA-N 0 0 487.645 4.795 20 0 JJADRN O=C(Nc1cc(O)cc(Br)c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001449492246 1067011899 /nfs/dbraw/zinc/01/18/99/1067011899.db2.gz IDZPUEGEIXAYNG-MRXNPFEDSA-N 0 0 458.139 4.705 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545745526 1067012161 /nfs/dbraw/zinc/01/21/61/1067012161.db2.gz CCGBXAIZABQMRM-FGZHOGPDSA-N 0 0 460.688 4.906 20 0 JJADRN CC[C@@H](Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014943 1067012295 /nfs/dbraw/zinc/01/22/95/1067012295.db2.gz QOVUKVHOHGEPOU-MOPGFXCFSA-N 0 0 471.646 4.881 20 0 JJADRN CC[C@@H](Cn1c(N(C)CC2CCOCC2)nnc1C1(c2ccccc2)CCC1)NC(=O)OC(C)(C)C ZINC001546014974 1067012382 /nfs/dbraw/zinc/01/23/82/1067012382.db2.gz RDUFXEYHCOCWHR-QHCPKHFHSA-N 0 0 497.684 4.914 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@](C)(OC)C(=O)OC(C)(C)C)ccc1Sc1ccccc1 ZINC001458252464 1067012511 /nfs/dbraw/zinc/01/25/11/1067012511.db2.gz KFJJPTZWTYMONE-DEOSSOPVSA-N 0 0 459.564 4.700 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCc1ccc(F)c(F)c1F ZINC001458251695 1067012607 /nfs/dbraw/zinc/01/26/07/1067012607.db2.gz BSCLSIHXXHCPNL-UHFFFAOYSA-N 0 0 455.299 4.891 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C(=O)CC)c2)cc1 ZINC001449528199 1067012992 /nfs/dbraw/zinc/01/29/92/1067012992.db2.gz BHFNYGCIZJMAMQ-QHCPKHFHSA-N 0 0 456.608 4.722 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnc1N1CCCC[C@H]1C ZINC001458254544 1067013228 /nfs/dbraw/zinc/01/32/28/1067013228.db2.gz NFKNBQHZTKAQFJ-QUCCMNQESA-N 0 0 455.002 4.913 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnc1N1CCCC[C@@H]1C ZINC001458254542 1067013278 /nfs/dbraw/zinc/01/32/78/1067013278.db2.gz NFKNBQHZTKAQFJ-ICSRJNTNSA-N 0 0 455.002 4.913 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CCc1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC001458253672 1067013332 /nfs/dbraw/zinc/01/33/32/1067013332.db2.gz MUOZHBGJGLIKPR-QGZVFWFLSA-N 0 0 458.274 4.821 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C)C2)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545746030 1067013467 /nfs/dbraw/zinc/01/34/67/1067013467.db2.gz JKKMCFNFOUVVPB-FPOVZHCZSA-N 0 0 462.585 4.887 20 0 JJADRN CC[C@H](Cn1c(N(CC)C[C@@H]2COc3ccccc3O2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015146 1067013420 /nfs/dbraw/zinc/01/34/20/1067013420.db2.gz VCNUBJVEDLQJBN-RTBURBONSA-N 0 0 487.645 4.545 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)COc2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458255176 1067013497 /nfs/dbraw/zinc/01/34/97/1067013497.db2.gz ISUFEYGLINWSJV-RDGATRHJSA-N 0 0 458.961 4.604 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746281 1067013854 /nfs/dbraw/zinc/01/38/54/1067013854.db2.gz MNTJIMVSDIXMMF-ISKFKSNPSA-N 0 0 479.673 4.760 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCCc1cccc(C)n1)c1ccccc1 ZINC001545746361 1067014138 /nfs/dbraw/zinc/01/41/38/1067014138.db2.gz NQBRRQPDWWTZQC-OZXSUGGESA-N 0 0 474.653 4.509 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458256451 1067014230 /nfs/dbraw/zinc/01/42/30/1067014230.db2.gz KRIYBSCJXNLTGC-IDAANNSESA-N 0 0 458.961 4.843 20 0 JJADRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccc(SC(F)(F)F)cc1 ZINC001458257329 1067014299 /nfs/dbraw/zinc/01/42/99/1067014299.db2.gz XMZZQCGTPODSFI-LLVKDONJSA-N 0 0 451.488 4.886 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015388 1067014487 /nfs/dbraw/zinc/01/44/87/1067014487.db2.gz ZCLNVCAKOJDTLI-OZAHESQGSA-N 0 0 460.594 4.550 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1CCCNC(C)=O)c1ccccc1 ZINC001545746571 1067014621 /nfs/dbraw/zinc/01/46/21/1067014621.db2.gz RBCIORVZSFCZBP-PKTZIBPZSA-N 0 0 480.682 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545746470 1067014708 /nfs/dbraw/zinc/01/47/08/1067014708.db2.gz PHNSWKJTBMRMRP-YHDXRRJDSA-N 0 0 471.696 4.738 20 0 JJADRN Cc1cc(N(C)C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)ccn1 ZINC001458259070 1067014898 /nfs/dbraw/zinc/01/48/98/1067014898.db2.gz RTFZTKZDRNKSTR-UHFFFAOYSA-N 0 0 453.955 4.698 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@H]1CCSC1(C)C)c1ccccc1 ZINC001545746602 1067014937 /nfs/dbraw/zinc/01/49/37/1067014937.db2.gz RKLVSMGDXRBVIG-YMPZKCBVSA-N 0 0 469.699 4.704 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545746694 1067015248 /nfs/dbraw/zinc/01/52/48/1067015248.db2.gz SVTJQXAUBNMXML-XZOQPEGZSA-N 0 0 491.636 4.830 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545746680 1067015262 /nfs/dbraw/zinc/01/52/62/1067015262.db2.gz SSYZBWZQDKARBD-UNMCSNQZSA-N 0 0 485.673 4.722 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458260629 1067015738 /nfs/dbraw/zinc/01/57/38/1067015738.db2.gz UNDQPCQECXQILU-XUZZJYLKSA-N 0 0 457.977 4.868 20 0 JJADRN Cc1c2ccccc2c(=O)oc1C(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001449574707 1067015786 /nfs/dbraw/zinc/01/57/86/1067015786.db2.gz DGXAGPFWCUIUEY-OAQYLSRUSA-N 0 0 454.567 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ncoc2CCC(F)(F)F)CC1 ZINC001449584252 1067016092 /nfs/dbraw/zinc/01/60/92/1067016092.db2.gz JCIKQSYFSMBVNU-KRWDZBQOSA-N 0 0 459.509 4.667 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC001449586421 1067016110 /nfs/dbraw/zinc/01/61/10/1067016110.db2.gz SCLRJSJVVFHCTI-OAQYLSRUSA-N 0 0 457.546 4.978 20 0 JJADRN COCC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001449582527 1067016255 /nfs/dbraw/zinc/01/62/55/1067016255.db2.gz NWDQZEWDLJAACE-UHOSZYNNSA-N 0 0 458.521 4.983 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458265521 1067016286 /nfs/dbraw/zinc/01/62/86/1067016286.db2.gz MBSAWRHEDFXUDQ-MJGOQNOKSA-N 0 0 458.839 4.858 20 0 JJADRN Cc1c2ccc(F)cc2sc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC001449594089 1067016548 /nfs/dbraw/zinc/01/65/48/1067016548.db2.gz KPAWFPMWLWEPCY-ZDUSSCGKSA-N 0 0 454.336 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC001449589005 1067016591 /nfs/dbraw/zinc/01/65/91/1067016591.db2.gz MBMPXYHWCXINKB-FQEVSTJZSA-N 0 0 458.628 4.539 20 0 JJADRN CCC(CC)Oc1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC001449593777 1067016630 /nfs/dbraw/zinc/01/66/30/1067016630.db2.gz JTBRZWDOQUWQPM-MRXNPFEDSA-N 0 0 452.364 4.737 20 0 JJADRN 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Cc1c(CC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1-c1ccc(C)cc1 ZINC001458313785 1067027375 /nfs/dbraw/zinc/02/73/75/1067027375.db2.gz FCFHGGAAHSWCCW-LJQANCHMSA-N 0 0 456.390 4.865 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC001449775249 1067027454 /nfs/dbraw/zinc/02/74/54/1067027454.db2.gz LJYIHHJRQFPNEV-UXHICEINSA-N 0 0 470.532 4.716 20 0 JJADRN CC[C@@H](c1nnc(N2CCCO[C@H](C)C2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545752310 1067027623 /nfs/dbraw/zinc/02/76/23/1067027623.db2.gz UYKHHZBQAFMTLG-IEBWSBKVSA-N 0 0 454.644 4.633 20 0 JJADRN CN(C)c1cccc2sc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)OC(C)(C)C)CC3)cc21 ZINC001449779309 1067027782 /nfs/dbraw/zinc/02/77/82/1067027782.db2.gz DCIUUAODFNLRJR-GCJKJVERSA-N 0 0 473.639 4.502 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001458314516 1067027747 /nfs/dbraw/zinc/02/77/47/1067027747.db2.gz IPRYRPARFUMNBN-UHFFFAOYSA-N 0 0 451.880 4.586 20 0 JJADRN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC001449786928 1067028167 /nfs/dbraw/zinc/02/81/67/1067028167.db2.gz JSPGLUJTNLCKKG-NBZDVZLHSA-N 0 0 450.689 4.566 20 0 JJADRN C[C@@H](CO)n1c2ccc(NC(=O)Cc3nc(C4CCCC4)cs3)cc2nc1C(F)(F)F ZINC001449787858 1067028267 /nfs/dbraw/zinc/02/82/67/1067028267.db2.gz CVSBSXDQNGDOJS-LBPRGKRZSA-N 0 0 452.502 4.904 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C ZINC001449788833 1067028283 /nfs/dbraw/zinc/02/82/83/1067028283.db2.gz XAPRBWICUQLZGW-QZTJIDSGSA-N 0 0 452.636 4.676 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1oc(=O)c2ccccc2c1C)C(F)(F)F ZINC001458318386 1067028873 /nfs/dbraw/zinc/02/88/73/1067028873.db2.gz OUSLEKOFRFNVJD-OAQYLSRUSA-N 0 0 455.436 4.937 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001458319042 1067028891 /nfs/dbraw/zinc/02/88/91/1067028891.db2.gz AXPNWGIDKDEEEO-SJKOYZFVSA-N 0 0 451.386 4.674 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2c(F)cc(C)cc2I)c(OC)c1 ZINC001458319711 1067029073 /nfs/dbraw/zinc/02/90/73/1067029073.db2.gz KBOOFYRXPLCZCY-PLNGDYQASA-N 0 0 455.267 4.798 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3ccnc(OCC(F)(F)C(F)F)c3)c2)cs1 ZINC001458319940 1067029303 /nfs/dbraw/zinc/02/93/03/1067029303.db2.gz KYNSEQHQKQACLB-UHFFFAOYSA-N 0 0 455.433 4.957 20 0 JJADRN CC[C@@H](Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546016929 1067029350 /nfs/dbraw/zinc/02/93/50/1067029350.db2.gz LNYKXHOPSYKARX-PKOBYXMFSA-N 0 0 459.591 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449797195 1067029515 /nfs/dbraw/zinc/02/95/15/1067029515.db2.gz ZJDKHUFLRRJCQL-AHIWAGSCSA-N 0 0 455.368 4.775 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCOC)c1ccccc1 ZINC001545753917 1067029681 /nfs/dbraw/zinc/02/96/81/1067029681.db2.gz AVXOYNIFMCSFQS-UNMCSNQZSA-N 0 0 471.646 4.692 20 0 JJADRN CON(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[C@H](C)c1csc(C)n1 ZINC001449801599 1067029717 /nfs/dbraw/zinc/02/97/17/1067029717.db2.gz USTWQSJULFFTTF-PWSUYJOCSA-N 0 0 452.627 4.552 20 0 JJADRN CC1(CNC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CCCCCC1 ZINC001458320582 1067029734 /nfs/dbraw/zinc/02/97/34/1067029734.db2.gz KPGNUGIILHPKCN-UHFFFAOYSA-N 0 0 455.580 4.631 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458320793 1067029815 /nfs/dbraw/zinc/02/98/15/1067029815.db2.gz DWPYIEXSHDMBAY-INIZCTEOSA-N 0 0 452.423 4.743 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)c1 ZINC001449801751 1067029975 /nfs/dbraw/zinc/02/99/75/1067029975.db2.gz QSAZWHMKFMWJJD-STQMWFEESA-N 0 0 455.864 4.976 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545753930 1067029797 /nfs/dbraw/zinc/02/97/97/1067029797.db2.gz BBKYYHWTNCMBDC-SIKLNZKXSA-N 0 0 480.613 4.610 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)COC)c1ccccc1 ZINC001545754038 1067030106 /nfs/dbraw/zinc/03/01/06/1067030106.db2.gz DIIFVHAYJRHHGC-ONTIZHBOSA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1CCCC1)c1ccccc1 ZINC001545754100 1067030184 /nfs/dbraw/zinc/03/01/84/1067030184.db2.gz FTVYYPYVSMBSFR-JOCHJYFZSA-N 0 0 452.647 4.640 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(C(C)(F)F)cc1)c1ccc(OC)c(Br)c1 ZINC001458321752 1067030188 /nfs/dbraw/zinc/03/01/88/1067030188.db2.gz XHUMDDBEYMCUEW-QGZVFWFLSA-N 0 0 456.283 4.604 20 0 JJADRN CC[C@H](Cn1c(N2CCCC2(C)C)nnc1[C@@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017456 1067030241 /nfs/dbraw/zinc/03/02/41/1067030241.db2.gz VDRWHZMGZWEVJW-KBMIEXCESA-N 0 0 460.594 4.694 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCCCCSC)c1ccccc1 ZINC001545754221 1067030495 /nfs/dbraw/zinc/03/04/95/1067030495.db2.gz IMKSSAGTMZEJBV-QHCPKHFHSA-N 0 0 484.714 4.691 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC001449832127 1067030771 /nfs/dbraw/zinc/03/07/71/1067030771.db2.gz UAVBCWSWTCUHAB-UHFFFAOYSA-N 0 0 453.327 4.624 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC001458324124 1067031125 /nfs/dbraw/zinc/03/11/25/1067031125.db2.gz QDMKWFILEXCNNU-KSFYIVLOSA-N 0 0 459.384 4.538 20 0 JJADRN CC(C)(C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C1)C(N)=O ZINC001449838064 1067031067 /nfs/dbraw/zinc/03/10/67/1067031067.db2.gz FLPCRBHLAYEATA-INIZCTEOSA-N 0 0 454.958 4.540 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545754690 1067031124 /nfs/dbraw/zinc/03/11/24/1067031124.db2.gz SLVUHEPEQSAPDC-XPWALMASSA-N 0 0 485.673 4.985 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017566 1067031229 /nfs/dbraw/zinc/03/12/29/1067031229.db2.gz XCJCKZNJMJNVKO-QUCCMNQESA-N 0 0 457.619 4.926 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545754622 1067031345 /nfs/dbraw/zinc/03/13/45/1067031345.db2.gz QXBODNBPQMRJET-XMMPIXPASA-N 0 0 481.685 4.600 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC001458326608 1067031374 /nfs/dbraw/zinc/03/13/74/1067031374.db2.gz NAKIRHGEOMXTPW-UHFFFAOYSA-N 0 0 450.686 4.520 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCc1nccs1)c1ccccc1 ZINC001545754985 1067031929 /nfs/dbraw/zinc/03/19/29/1067031929.db2.gz ZUSXUHUGUFQAIL-NRFANRHFSA-N 0 0 480.682 4.604 20 0 JJADRN Cc1cc(N2CCC(COc3ccccc3C(F)(F)F)CC2)n2nc(C(F)(F)F)nc2n1 ZINC001458327868 1067032172 /nfs/dbraw/zinc/03/21/72/1067032172.db2.gz NQRZENUTFMXPRX-UHFFFAOYSA-N 0 0 459.394 4.766 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[C@H]1C)c1ccccc1 ZINC001545754900 1067032049 /nfs/dbraw/zinc/03/20/49/1067032049.db2.gz YFSQBJSJGXYGFJ-YFNKSVMNSA-N 0 0 466.674 4.840 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cn1 ZINC001449844350 1067032026 /nfs/dbraw/zinc/03/20/26/1067032026.db2.gz VURVIVPIPIZAKP-HNNXBMFYSA-N 0 0 457.456 4.745 20 0 JJADRN CN(C)C(=O)O[C@H]1CCCN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001449847825 1067032059 /nfs/dbraw/zinc/03/20/59/1067032059.db2.gz CPNVIKFGSZRJLG-OXJNMPFZSA-N 0 0 451.350 4.803 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017648 1067032282 /nfs/dbraw/zinc/03/22/82/1067032282.db2.gz YVRZPXIDHOCAJO-MOPGFXCFSA-N 0 0 488.652 4.733 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 ZINC001449854700 1067032321 /nfs/dbraw/zinc/03/23/21/1067032321.db2.gz OHVFRCKMQIOVGX-UHFFFAOYSA-N 0 0 458.514 4.542 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545756076 1067032629 /nfs/dbraw/zinc/03/26/29/1067032629.db2.gz AKBCCHKPIUSOLG-FPOVZHCZSA-N 0 0 468.671 4.585 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756175 1067032750 /nfs/dbraw/zinc/03/27/50/1067032750.db2.gz BYVCLQHCHPXFRK-MDNUFGMLSA-N 0 0 482.698 4.831 20 0 JJADRN COc1ccc(N(CC2CC2)C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001449865663 1067032853 /nfs/dbraw/zinc/03/28/53/1067032853.db2.gz LPVTVNBYIRKDPL-NRFANRHFSA-N 0 0 454.571 4.521 20 0 JJADRN Cn1cnn(-c2ccc(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)cc2)c1=O ZINC001458333582 1067033265 /nfs/dbraw/zinc/03/32/65/1067033265.db2.gz RJPLSEWFCUKMOR-UHFFFAOYSA-N 0 0 453.738 4.998 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CC(C)(C)COC)c1ccccc1 ZINC001545756328 1067033349 /nfs/dbraw/zinc/03/33/49/1067033349.db2.gz FSUSSFCRXURPIX-QFIPXVFZSA-N 0 0 482.698 4.893 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545756397 1067033446 /nfs/dbraw/zinc/03/34/46/1067033446.db2.gz HFKQIUPBTKCBCT-AANQFLQQSA-N 0 0 497.684 4.938 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cccc3c2ccn3CC(C)C)c1 ZINC001546017852 1067033603 /nfs/dbraw/zinc/03/36/03/1067033603.db2.gz FZSJGYJBPSCAOQ-UHFFFAOYSA-N 0 0 456.612 4.622 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1(C)C ZINC001449874576 1067033706 /nfs/dbraw/zinc/03/37/06/1067033706.db2.gz DHORJKXSYOSRHR-KBAYOESNSA-N 0 0 451.405 4.704 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC001449883189 1067033847 /nfs/dbraw/zinc/03/38/47/1067033847.db2.gz ZMPWTXWORNPMNU-KVSKMBFKSA-N 0 0 451.405 4.849 20 0 JJADRN CC[C@H](C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)nc(C)n1 ZINC001458334925 1067033870 /nfs/dbraw/zinc/03/38/70/1067033870.db2.gz JEJKPPWUVFDBMH-FXAWDEMLSA-N 0 0 456.587 4.769 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458336561 1067033915 /nfs/dbraw/zinc/03/39/15/1067033915.db2.gz WBAXOSCZYMHURG-IBGZPJMESA-N 0 0 454.929 4.832 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3cnccn3)CC2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545756434 1067033845 /nfs/dbraw/zinc/03/38/45/1067033845.db2.gz HWGWTEWXGDXTAZ-LJQANCHMSA-N 0 0 473.547 4.525 20 0 JJADRN CCc1nnc(N2CCCC3(CCCC3)C2)n1Cc1ccc(I)cc1 ZINC001546513392 1067033953 /nfs/dbraw/zinc/03/39/53/1067033953.db2.gz SCFLNAZFNFLAHD-UHFFFAOYSA-N 0 0 450.368 4.654 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 ZINC001449890476 1067034084 /nfs/dbraw/zinc/03/40/84/1067034084.db2.gz GAASTPQNILGAMM-HSZRJFAPSA-N 0 0 458.537 4.759 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(Cc4ccc(F)cc4)nc3c2)cc1 ZINC001449891257 1067034178 /nfs/dbraw/zinc/03/41/78/1067034178.db2.gz IXRNNWGYTOEYTG-UHFFFAOYSA-N 0 0 451.523 4.727 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546099568 1067034258 /nfs/dbraw/zinc/03/42/58/1067034258.db2.gz HZONDVWPHLJPMP-SFRLIIPVSA-N 0 0 490.714 4.707 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546099569 1067034272 /nfs/dbraw/zinc/03/42/72/1067034272.db2.gz HZONDVWPHLJPMP-UVMFRMCBSA-N 0 0 490.714 4.707 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 ZINC001449890489 1067034205 /nfs/dbraw/zinc/03/42/05/1067034205.db2.gz GAASTPQNILGAMM-QHCPKHFHSA-N 0 0 458.537 4.759 20 0 JJADRN C[C@@H](N(C)C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O ZINC001449889045 1067034397 /nfs/dbraw/zinc/03/43/97/1067034397.db2.gz LJGHUPHVRGAKFU-GOSISDBHSA-N 0 0 452.595 4.702 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756778 1067034331 /nfs/dbraw/zinc/03/43/31/1067034331.db2.gz OAPWAJQANBRODY-URXFXBBRSA-N 0 0 494.709 4.679 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 ZINC001449891467 1067034640 /nfs/dbraw/zinc/03/46/40/1067034640.db2.gz JZUJAAGJZHGBST-UHFFFAOYSA-N 0 0 455.287 4.717 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3cc(C)n(-c4ccc(Cl)cc4Cl)n3)c2)o1 ZINC001458338935 1067034643 /nfs/dbraw/zinc/03/46/43/1067034643.db2.gz FJXWDKCZVDSTTR-UHFFFAOYSA-N 0 0 458.305 4.936 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)nn1-c1ccc(Cl)cc1Cl ZINC001458340548 1067034934 /nfs/dbraw/zinc/03/49/34/1067034934.db2.gz MBAVNPJBBLFHBH-UHFFFAOYSA-N 0 0 452.363 4.922 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458339339 1067034952 /nfs/dbraw/zinc/03/49/52/1067034952.db2.gz DTVBSEQBLGFMML-CQSZACIVSA-N 0 0 452.839 4.692 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)nn1-c1ccc(Cl)cc1Cl ZINC001458340469 1067035026 /nfs/dbraw/zinc/03/50/26/1067035026.db2.gz LHBPLDFUWCRHKA-GOSISDBHSA-N 0 0 451.260 4.897 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 ZINC001546018068 1067035371 /nfs/dbraw/zinc/03/53/71/1067035371.db2.gz OHPOEYCMFOCPKH-RMKNXTFCSA-N 0 0 456.395 4.718 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)nn1-c1cc(C)cc(C)c1 ZINC001458341663 1067035662 /nfs/dbraw/zinc/03/56/62/1067035662.db2.gz QLOPTQOFRDEJPM-UHFFFAOYSA-N 0 0 452.363 4.760 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCSC)c1ccccc1 ZINC001545757335 1067035706 /nfs/dbraw/zinc/03/57/06/1067035706.db2.gz XNIBPJPRAFUCMW-FQEVSTJZSA-N 0 0 472.728 4.577 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3ncccc3F)CC2)n1CCSC(C)C)c1ccccc1 ZINC001545757282 1067035833 /nfs/dbraw/zinc/03/58/33/1067035833.db2.gz WSFJKYVFUPYGBU-OAQYLSRUSA-N 0 0 468.646 4.822 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCC=C(C)C)c1ccccc1 ZINC001545758160 1067036160 /nfs/dbraw/zinc/03/61/60/1067036160.db2.gz ATDYCOLINIUFNB-AREMUKBSSA-N 0 0 492.712 4.701 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545758142 1067036173 /nfs/dbraw/zinc/03/61/73/1067036173.db2.gz APSPSMFKCPKUSV-ZHALLVOQSA-N 0 0 455.594 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(Cc4ccc(F)cc4)nc3c2)CC1 ZINC001449904473 1067036422 /nfs/dbraw/zinc/03/64/22/1067036422.db2.gz WYQNBWZJFQETJX-UHFFFAOYSA-N 0 0 452.530 4.878 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)cs2)cc1 ZINC001458343906 1067036461 /nfs/dbraw/zinc/03/64/61/1067036461.db2.gz UPDBOZRWEQLVHG-INIZCTEOSA-N 0 0 459.974 4.761 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCOc2ccc3ccccc3c2)c1 ZINC001449908402 1067036757 /nfs/dbraw/zinc/03/67/57/1067036757.db2.gz CELLXLILDWEHEB-QFIPXVFZSA-N 0 0 458.352 4.572 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001458346149 1067037271 /nfs/dbraw/zinc/03/72/71/1067037271.db2.gz LPTGJFWYCULJRG-BBATYDOGSA-N 0 0 456.732 4.674 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)c1ncnc(CC(C)C)c1I ZINC001458346530 1067037412 /nfs/dbraw/zinc/03/74/12/1067037412.db2.gz OBDHCSWNTMQGGT-INIZCTEOSA-N 0 0 459.759 4.757 20 0 JJADRN COc1ccc(CN(C(=O)CCCn2c(C)cc(=O)cc2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458345778 1067037513 /nfs/dbraw/zinc/03/75/13/1067037513.db2.gz LBRZBMPTVDUSBT-NTKDMRAZSA-N 0 0 454.611 4.870 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)NC(=O)OC(C)(C)C ZINC001449934699 1067037808 /nfs/dbraw/zinc/03/78/08/1067037808.db2.gz DXMRJAZDPYOTJG-FQEVSTJZSA-N 0 0 450.539 4.745 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)c1ncnc2ccc(I)cc21 ZINC001458348008 1067038196 /nfs/dbraw/zinc/03/81/96/1067038196.db2.gz XGZIKJBGHNDRQV-KRWDZBQOSA-N 0 0 453.711 4.712 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001458347680 1067038338 /nfs/dbraw/zinc/03/83/38/1067038338.db2.gz IBZPFKSAESCYJN-PIGZYNQJSA-N 0 0 457.162 4.726 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)c2nccs2)CCO1 ZINC001546099684 1067038475 /nfs/dbraw/zinc/03/84/75/1067038475.db2.gz KRDFIMLJXGKXOJ-CYFREDJKSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001546018469 1067038628 /nfs/dbraw/zinc/03/86/28/1067038628.db2.gz CKVYIQKSFODFBG-BAGYTPMASA-N 0 0 487.620 4.641 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4cc(N(C)C)ccc4c3)cc2)C1 ZINC001449966297 1067039194 /nfs/dbraw/zinc/03/91/94/1067039194.db2.gz NGUFIVZEENZTGA-GOSISDBHSA-N 0 0 451.592 4.579 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458349723 1067039253 /nfs/dbraw/zinc/03/92/53/1067039253.db2.gz UYTJXNOABRDZBN-MBSDFSHPSA-N 0 0 450.579 4.817 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)ccc2c1 ZINC001449966345 1067039401 /nfs/dbraw/zinc/03/94/01/1067039401.db2.gz PDFCPBBRUDNGGL-KRWDZBQOSA-N 0 0 452.352 4.660 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@@H]1CCCSC1)c1ccccc1 ZINC001545758568 1067039287 /nfs/dbraw/zinc/03/92/87/1067039287.db2.gz JCSMXEAOBSRBDW-UPVQGACJSA-N 0 0 471.715 4.510 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC ZINC001449970677 1067039809 /nfs/dbraw/zinc/03/98/09/1067039809.db2.gz OLQTYIAPLRXIDB-NSHDSACASA-N 0 0 450.322 4.727 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC001458352220 1067040160 /nfs/dbraw/zinc/04/01/60/1067040160.db2.gz BXDYTPUQPSJDBF-RDJZCZTQSA-N 0 0 459.974 4.831 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 ZINC001458353569 1067040430 /nfs/dbraw/zinc/04/04/30/1067040430.db2.gz ZVTDDPXAKMTUOT-VLXJIEOASA-N 0 0 456.764 4.771 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3ccsc3)CC2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545759096 1067040996 /nfs/dbraw/zinc/04/09/96/1067040996.db2.gz RRRXVNLDRRREGF-NHOCJEJCSA-N 0 0 499.750 4.751 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cc2C1 ZINC001458355483 1067040792 /nfs/dbraw/zinc/04/07/92/1067040792.db2.gz PMAGAZULIQMJTD-LSTHTHJFSA-N 0 0 473.520 4.807 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1nc(-c2ccccn2)nc2c1CCC2 ZINC001458356941 1067041170 /nfs/dbraw/zinc/04/11/70/1067041170.db2.gz NNTPLKGSCAUMKR-UHFFFAOYSA-N 0 0 459.594 4.949 20 0 JJADRN C[C@@H](CC(=O)NCCSCc1ccc(Cl)cc1Cl)n1cc(Br)cn1 ZINC001458357799 1067041215 /nfs/dbraw/zinc/04/12/15/1067041215.db2.gz KVOTXBLZFARGHF-NSHDSACASA-N 0 0 451.217 4.953 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)c2)c1 ZINC001450011062 1067041366 /nfs/dbraw/zinc/04/13/66/1067041366.db2.gz UJFZWKRYOPVKJQ-SJLPKXTDSA-N 0 0 454.514 4.907 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1)OC ZINC001546018829 1067041402 /nfs/dbraw/zinc/04/14/02/1067041402.db2.gz JCTTXMYRPMDIEK-FCJDFRRUSA-N 0 0 456.631 4.972 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545759280 1067041278 /nfs/dbraw/zinc/04/12/78/1067041278.db2.gz VUXFJEAKDILZDW-NFBKMPQASA-N 0 0 486.586 4.839 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC1(Cc2ccc(F)cc2)CC1)Nc1ccccc1F ZINC001458356353 1067041371 /nfs/dbraw/zinc/04/13/71/1067041371.db2.gz PMWVCTYVTKMLCZ-UHFFFAOYSA-N 0 0 450.485 4.735 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cccc(F)c1I ZINC001458356106 1067041419 /nfs/dbraw/zinc/04/14/19/1067041419.db2.gz JMKHLCZATJJXOY-CQSZACIVSA-N 0 0 451.201 4.724 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2Cc2nc(C(F)(F)F)cs2)CCO1 ZINC001546099724 1067041598 /nfs/dbraw/zinc/04/15/98/1067041598.db2.gz LNQYJGYOZKJQHI-NRFANRHFSA-N 0 0 481.544 4.694 20 0 JJADRN O=C(c1conc1C1CCCC1)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001450017841 1067041927 /nfs/dbraw/zinc/04/19/27/1067041927.db2.gz SYXMDOAHLONHJO-HNNXBMFYSA-N 0 0 450.320 4.642 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545759307 1067041999 /nfs/dbraw/zinc/04/19/99/1067041999.db2.gz WDMRSBPCKAORRT-YFNKSVMNSA-N 0 0 457.638 4.505 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c(C)c2c1 ZINC001450022167 1067042376 /nfs/dbraw/zinc/04/23/76/1067042376.db2.gz DNGIXHGLFDNKHB-QGZVFWFLSA-N 0 0 452.498 4.541 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC)CC2)n1C[C@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759553 1067042734 /nfs/dbraw/zinc/04/27/34/1067042734.db2.gz ZLFVXXDQERVCPV-JTHBVZDNSA-N 0 0 475.628 4.804 20 0 JJADRN COCC1(CNc2nc(C(F)(F)F)nc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001458366555 1067042894 /nfs/dbraw/zinc/04/28/94/1067042894.db2.gz HAEAMMSNOOHVCI-UHFFFAOYSA-N 0 0 454.493 4.724 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 ZINC001450032725 1067043100 /nfs/dbraw/zinc/04/31/00/1067043100.db2.gz PCROWOMZQMGDHG-UHFFFAOYSA-N 0 0 457.349 4.745 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1csc(COc2ccc(F)cc2)n1 ZINC001450030771 1067043116 /nfs/dbraw/zinc/04/31/16/1067043116.db2.gz QTRYVBWAEBFZAV-QGZVFWFLSA-N 0 0 454.445 4.734 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC001450032939 1067043210 /nfs/dbraw/zinc/04/32/10/1067043210.db2.gz RZRBVCPMYRSJIK-AYJWMTRPSA-N 0 0 452.420 4.653 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759555 1067043141 /nfs/dbraw/zinc/04/31/41/1067043141.db2.gz ZLRFRNBJWWFPIH-FGZHOGPDSA-N 0 0 471.715 4.902 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545760439 1067043279 /nfs/dbraw/zinc/04/32/79/1067043279.db2.gz CVTLCKPVOCPZIF-ATIYNZHBSA-N 0 0 450.631 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2C1 ZINC001458368154 1067043530 /nfs/dbraw/zinc/04/35/30/1067043530.db2.gz JYJNMWMXCAOCJD-ZDUSSCGKSA-N 0 0 453.436 4.874 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)OC ZINC001546018972 1067043567 /nfs/dbraw/zinc/04/35/67/1067043567.db2.gz LXAUZGWUFQGSIE-VQQMMKBISA-N 0 0 477.049 4.933 20 0 JJADRN Cc1cccc(F)c1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC001458369315 1067043761 /nfs/dbraw/zinc/04/37/61/1067043761.db2.gz KPPKCNKTPXFNNH-UHFFFAOYSA-N 0 0 459.587 4.551 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)C3(c4ccc(F)cc4F)CCC3)cc2C1 ZINC001458370790 1067044083 /nfs/dbraw/zinc/04/40/83/1067044083.db2.gz SLUGGNOPFNCFGJ-QGZVFWFLSA-N 0 0 457.521 4.802 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)C3(c4ccc(F)cc4F)CCC3)cc2C1 ZINC001458370788 1067044238 /nfs/dbraw/zinc/04/42/38/1067044238.db2.gz SLUGGNOPFNCFGJ-KRWDZBQOSA-N 0 0 457.521 4.802 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1)OC ZINC001546019000 1067044100 /nfs/dbraw/zinc/04/41/00/1067044100.db2.gz MGXCULFLCARDFE-YTFSRNRJSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)C1CCCC1 ZINC001450046669 1067044381 /nfs/dbraw/zinc/04/43/81/1067044381.db2.gz KDWHJYGXVWMGSK-DNVCBOLYSA-N 0 0 458.555 4.697 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001458370874 1067044541 /nfs/dbraw/zinc/04/45/41/1067044541.db2.gz YITCVHXZDGILJS-ZDUSSCGKSA-N 0 0 458.278 4.819 20 0 JJADRN CN(C)c1cc(C(F)(F)F)nc(NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)n1 ZINC001458372145 1067044936 /nfs/dbraw/zinc/04/49/36/1067044936.db2.gz MQUOQJBJYNZFMM-INIZCTEOSA-N 0 0 451.493 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCSCC(F)(F)F)c1ccccc1 ZINC001545761559 1067045181 /nfs/dbraw/zinc/04/51/81/1067045181.db2.gz TZKWUGQJCTYREV-HZPDHXFCSA-N 0 0 482.494 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4.666 20 0 JJADRN C[C@@H]1CN(C(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145479 1067054009 /nfs/dbraw/zinc/05/40/09/1067054009.db2.gz MANPHIKWPYWANG-QRFQSNJMSA-N 0 0 456.505 4.783 20 0 JJADRN CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(F)c2[C@@H]1C)SC ZINC001545768351 1067054047 /nfs/dbraw/zinc/05/40/47/1067054047.db2.gz TXCRRMZQFGUJNN-KRWDZBQOSA-N 0 0 459.635 4.699 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001458406615 1067054093 /nfs/dbraw/zinc/05/40/93/1067054093.db2.gz QOASUXNJTGFAMK-QZTJIDSGSA-N 0 0 452.551 4.516 20 0 JJADRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](c3ccccc3OC(F)F)C(F)(F)F)c12 ZINC001458408140 1067054168 /nfs/dbraw/zinc/05/41/68/1067054168.db2.gz UMLLKDWAVWFYRG-KRWDZBQOSA-N 0 0 454.399 4.789 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)cs1)NC(=O)OC(C)(C)C ZINC001545768371 1067054126 /nfs/dbraw/zinc/05/41/26/1067054126.db2.gz UQGWQDSOYFADSO-UHFFFAOYSA-N 0 0 492.690 4.506 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001450150182 1067054367 /nfs/dbraw/zinc/05/43/67/1067054367.db2.gz PXWMWUPAYOYAFA-SBUREZEXSA-N 0 0 451.542 4.759 20 0 JJADRN CCC1(CC)[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[C@@H](C)[C@H]1OC ZINC001458408262 1067054436 /nfs/dbraw/zinc/05/44/36/1067054436.db2.gz GWQFJVKIHJCNRU-CDHQVMDDSA-N 0 0 454.533 4.514 20 0 JJADRN C[C@@H]1CN(c2cc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc(Oc3ccccc3)n2)[C@@H]1C ZINC001458408818 1067054511 /nfs/dbraw/zinc/05/45/11/1067054511.db2.gz PURUHFOSYCPYRD-GUDVDZBRSA-N 0 0 453.587 4.607 20 0 JJADRN COCCOc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 ZINC001450145542 1067054586 /nfs/dbraw/zinc/05/45/86/1067054586.db2.gz MKLOZGMUYSKVRE-VLIAUNLRSA-N 0 0 457.876 4.986 20 0 JJADRN CCOC(=O)CCc1cc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc(C)n1 ZINC001458409751 1067054864 /nfs/dbraw/zinc/05/48/64/1067054864.db2.gz RGGQZZXMPCVAKD-LJQANCHMSA-N 0 0 451.489 4.656 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@@H]1c1ccc(OC)cc1 ZINC001545769307 1067054808 /nfs/dbraw/zinc/05/48/08/1067054808.db2.gz WGSXHKAYBQRMME-CPJSRVTESA-N 0 0 456.533 4.638 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1)OC ZINC001545769705 1067055353 /nfs/dbraw/zinc/05/53/53/1067055353.db2.gz IDOJVODXSURLEN-QZTJIDSGSA-N 0 0 462.038 4.549 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1 ZINC001450157680 1067055581 /nfs/dbraw/zinc/05/55/81/1067055581.db2.gz MSTPWNMAUTWZDM-UHFFFAOYSA-N 0 0 453.520 4.968 20 0 JJADRN O=C(NC[C@@H]1CCCCC1(F)F)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001450155831 1067055595 /nfs/dbraw/zinc/05/55/95/1067055595.db2.gz RKLGSTFUHDFJCS-ZDUSSCGKSA-N 0 0 455.299 4.771 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC001450161903 1067056352 /nfs/dbraw/zinc/05/63/52/1067056352.db2.gz GRXKAONUKPTNEM-DFBJGRDBSA-N 0 0 458.533 4.847 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC001450161914 1067056395 /nfs/dbraw/zinc/05/63/95/1067056395.db2.gz GRXKAONUKPTNEM-UQBPGWFLSA-N 0 0 458.533 4.847 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(OC(F)F)c(F)c1)c1cccc(Cl)c1 ZINC001450161682 1067056485 /nfs/dbraw/zinc/05/64/85/1067056485.db2.gz FYHPHEDUKXICNV-KRWDZBQOSA-N 0 0 458.864 4.963 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)c1cc(Cl)ccc1OC(F)F ZINC001458419804 1067056673 /nfs/dbraw/zinc/05/66/73/1067056673.db2.gz FCZADSGRYGEEBX-SNVBAGLBSA-N 0 0 453.841 4.570 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC ZINC001545771037 1067057056 /nfs/dbraw/zinc/05/70/56/1067057056.db2.gz DAYUZIDVZRSFCC-YIXXDRMTSA-N 0 0 499.700 4.541 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCOCC1)OC ZINC001545771012 1067057092 /nfs/dbraw/zinc/05/70/92/1067057092.db2.gz CNHZEBMYKYBVGI-UHFFFAOYSA-N 0 0 465.436 4.776 20 0 JJADRN COc1ccc(-c2nnc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)s2)cc1 ZINC001458420523 1067057275 /nfs/dbraw/zinc/05/72/75/1067057275.db2.gz HBOZTIXEJGLYLY-UHFFFAOYSA-N 0 0 453.955 4.981 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](OCC(C)C)C1)OC ZINC001545771113 1067057554 /nfs/dbraw/zinc/05/75/54/1067057554.db2.gz GFOVOEDXLVPJKO-SFHVURJKSA-N 0 0 482.467 4.503 20 0 JJADRN COC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1ccc(F)c(F)c1 ZINC001458424609 1067057545 /nfs/dbraw/zinc/05/75/45/1067057545.db2.gz TYXXGEYHHGQFRN-HXUWFJFHSA-N 0 0 459.493 4.989 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](OC)C(C)(C)C1)SC ZINC001545771272 1067057819 /nfs/dbraw/zinc/05/78/19/1067057819.db2.gz KNEUGQBTCQYYQJ-QGZVFWFLSA-N 0 0 484.508 4.829 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)SC ZINC001545771306 1067058079 /nfs/dbraw/zinc/05/80/79/1067058079.db2.gz LIUSCGSLYRIBLX-DFNIBXOVSA-N 0 0 451.681 4.875 20 0 JJADRN CN(Cc1ccccc1S(N)(=O)=O)C(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001450192207 1067058177 /nfs/dbraw/zinc/05/81/77/1067058177.db2.gz NAQCROOGALFPLA-UHFFFAOYSA-N 0 0 455.407 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)[C@H](C)C1)SC ZINC001545771420 1067058271 /nfs/dbraw/zinc/05/82/71/1067058271.db2.gz OOTNZQQNGUBDGT-CALCHBBNSA-N 0 0 478.732 4.561 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@@H](O)c3ccc(OC)cc3)CC2)cnn1-c1cccc(F)c1 ZINC001450192089 1067058490 /nfs/dbraw/zinc/05/84/90/1067058490.db2.gz GBMMKSMOVYTVBF-VWLOTQADSA-N 0 0 451.542 4.558 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC(C)(OC)CC2)c1=S ZINC001450193362 1067058766 /nfs/dbraw/zinc/05/87/66/1067058766.db2.gz ODXLHGUQZBPBSD-UHFFFAOYSA-N 0 0 451.036 4.952 20 0 JJADRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001450195749 1067059004 /nfs/dbraw/zinc/05/90/04/1067059004.db2.gz IJFGKAWIYCENPO-GOSISDBHSA-N 0 0 455.640 4.661 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1nn(CC(C)C)c(=O)c3ccccc31)CCC2 ZINC001458430318 1067058928 /nfs/dbraw/zinc/05/89/28/1067058928.db2.gz GVOHMVATDDFVCA-UHFFFAOYSA-N 0 0 454.368 4.716 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)CCCOc3cccc(Br)c3)c2=O)cc1 ZINC001458431495 1067059017 /nfs/dbraw/zinc/05/90/17/1067059017.db2.gz MOOMTCKPJDGSHK-UHFFFAOYSA-N 0 0 455.352 4.765 20 0 JJADRN CCC(O)(CC)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001546020385 1067059428 /nfs/dbraw/zinc/05/94/28/1067059428.db2.gz COOLAQHERLMSTH-VWLOTQADSA-N 0 0 486.060 4.739 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001458436240 1067059554 /nfs/dbraw/zinc/05/95/54/1067059554.db2.gz BLLFKZVBXIJPEZ-KPUJOQBXSA-N 0 0 454.998 4.738 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)Cc3ccc(Br)c(Cl)c3)CC2)cc1 ZINC001450200459 1067059678 /nfs/dbraw/zinc/05/96/78/1067059678.db2.gz SSQICKHDGAZKSK-OAQYLSRUSA-N 0 0 452.776 4.626 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC ZINC001545771732 1067059724 /nfs/dbraw/zinc/05/97/24/1067059724.db2.gz YLBHXJXCKBBXDY-UHFFFAOYSA-N 0 0 492.668 4.702 20 0 JJADRN COc1cccc(/C=C(/CC(=O)N2CCC(F)(F)[C@H](CO)C2)c2nc3ccccc3s2)c1 ZINC001450201940 1067059835 /nfs/dbraw/zinc/05/98/35/1067059835.db2.gz WYLAQGBQJAOANS-PNDHZVEESA-N 0 0 458.530 4.712 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)CC2)cc1 ZINC001450200254 1067059911 /nfs/dbraw/zinc/05/99/11/1067059911.db2.gz RVGFEHPBOVNXQM-QHCPKHFHSA-N 0 0 454.567 4.936 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1)OC ZINC001545771689 1067059825 /nfs/dbraw/zinc/05/98/25/1067059825.db2.gz XBWAJPLQUFHEGK-VCOUNFBDSA-N 0 0 460.594 4.910 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1)SC ZINC001545771697 1067059887 /nfs/dbraw/zinc/05/98/87/1067059887.db2.gz XECPCJVXVJHXAX-UYAOXDASSA-N 0 0 494.105 4.514 20 0 JJADRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC001458436958 1067059927 /nfs/dbraw/zinc/05/99/27/1067059927.db2.gz QVKKSJAOKMEHOZ-LLVKDONJSA-N 0 0 454.155 4.698 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001458436243 1067059943 /nfs/dbraw/zinc/05/99/43/1067059943.db2.gz BLLFKZVBXIJPEZ-ZGQVVAJMSA-N 0 0 454.998 4.738 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)SC ZINC001545771761 1067060239 /nfs/dbraw/zinc/06/02/39/1067060239.db2.gz ZFHOPXFUYWMWAV-RCCFBDPRSA-N 0 0 496.519 4.687 20 0 JJADRN CC(C)[C@H]1CN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)CCCO1 ZINC001450206755 1067060371 /nfs/dbraw/zinc/06/03/71/1067060371.db2.gz FMTKGUCYWFXBBF-RUZDIDTESA-N 0 0 450.579 4.531 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1)c1cccc(Br)c1 ZINC001458439257 1067060624 /nfs/dbraw/zinc/06/06/24/1067060624.db2.gz XQWSMBIJFGFIDI-OAQYLSRUSA-N 0 0 450.336 4.978 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)c1 ZINC001458438878 1067060664 /nfs/dbraw/zinc/06/06/64/1067060664.db2.gz CHPMLISGRAQZBL-NSHDSACASA-N 0 0 457.695 4.549 20 0 JJADRN Cc1cnc(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c(Br)c1 ZINC001458438770 1067060688 /nfs/dbraw/zinc/06/06/88/1067060688.db2.gz ANWWHUQWPGWFNI-UHFFFAOYSA-N 0 0 452.234 4.957 20 0 JJADRN Cc1nc(C(C)C)oc1CNC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001450218313 1067060715 /nfs/dbraw/zinc/06/07/15/1067060715.db2.gz WPGXSKWBJFRIHH-UHFFFAOYSA-N 0 0 456.587 4.604 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)SC ZINC001545772486 1067060691 /nfs/dbraw/zinc/06/06/91/1067060691.db2.gz BQAZOGCZGORQFY-OSWQYVSFSA-N 0 0 474.671 4.648 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3Cl)CC2)c1 ZINC001458440282 1067061144 /nfs/dbraw/zinc/06/11/44/1067061144.db2.gz FSOQIPPROMPTAA-UHFFFAOYSA-N 0 0 451.350 4.810 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)NCC2(c3ccccc3Cl)CCCCC2)no1 ZINC001458442353 1067061298 /nfs/dbraw/zinc/06/12/98/1067061298.db2.gz ONZITZAJXGAQON-INIZCTEOSA-N 0 0 450.004 4.715 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCC3(c4ccccc4Cl)CCCCC3)CC(=O)N2C)cc1 ZINC001458442388 1067061331 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CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001458472059 1067070973 /nfs/dbraw/zinc/07/09/73/1067070973.db2.gz XLNWTHUUMPZCEZ-SFHVURJKSA-N 0 0 458.465 4.810 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545777489 1067071132 /nfs/dbraw/zinc/07/11/32/1067071132.db2.gz BXYIONSSLCXIPF-LJQANCHMSA-N 0 0 458.651 4.994 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)SC ZINC001545777495 1067071214 /nfs/dbraw/zinc/07/12/14/1067071214.db2.gz CFWDAYWHHLRXJF-FQEVSTJZSA-N 0 0 495.697 4.771 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001450334741 1067071313 /nfs/dbraw/zinc/07/13/13/1067071313.db2.gz KZDATPAQNJXPIG-UPVQGACJSA-N 0 0 452.396 4.970 20 0 JJADRN CC(C)Oc1cccc(CN(C)C(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c1 ZINC001458476154 1067071393 /nfs/dbraw/zinc/07/13/93/1067071393.db2.gz LDZMCZCEXWUVSD-UHFFFAOYSA-N 0 0 452.864 4.999 20 0 JJADRN CSc1ncc(I)c(N2CCc3ccc(Cl)c(Cl)c3C2)n1 ZINC001458475387 1067071403 /nfs/dbraw/zinc/07/14/03/1067071403.db2.gz XQYIRGBPNYRBGZ-UHFFFAOYSA-N 0 0 452.148 4.673 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)c3ccccc3F)c2)cc1 ZINC001450339000 1067071411 /nfs/dbraw/zinc/07/14/11/1067071411.db2.gz ZFRSZBBRBUKMRN-UHFFFAOYSA-N 0 0 456.539 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)Nc2cscc2Br)CC1 ZINC001450325657 1067071518 /nfs/dbraw/zinc/07/15/18/1067071518.db2.gz JTLURJZZUDLVDQ-UHFFFAOYSA-N 0 0 456.362 4.865 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1)SC ZINC001545777518 1067071673 /nfs/dbraw/zinc/07/16/73/1067071673.db2.gz CXXOVUUVQHCLTD-UHFFFAOYSA-N 0 0 471.602 4.561 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)OC ZINC001545777584 1067071721 /nfs/dbraw/zinc/07/17/21/1067071721.db2.gz GNYQEGHXLGELGM-LJQANCHMSA-N 0 0 459.591 4.632 20 0 JJADRN CCCOc1ccnc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)n1 ZINC001458477071 1067071959 /nfs/dbraw/zinc/07/19/59/1067071959.db2.gz KPPXJBZYAKCMPT-SFTDATJTSA-N 0 0 456.587 4.869 20 0 JJADRN COCCOCc1ccc(CNC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001450342439 1067072010 /nfs/dbraw/zinc/07/20/10/1067072010.db2.gz DMRKVJZSQZIIIS-NRFANRHFSA-N 0 0 451.592 4.786 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1C ZINC001450346912 1067072229 /nfs/dbraw/zinc/07/22/29/1067072229.db2.gz NSBLFALJPXEIJF-SFHVURJKSA-N 0 0 450.391 4.738 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1C ZINC001450346906 1067072336 /nfs/dbraw/zinc/07/23/36/1067072336.db2.gz NSBLFALJPXEIJF-GOSISDBHSA-N 0 0 450.391 4.738 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC001450344763 1067072401 /nfs/dbraw/zinc/07/24/01/1067072401.db2.gz KEKGJWUWHWRROO-KRWDZBQOSA-N 0 0 452.769 4.972 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ncnc3c(F)cccc23)cc1 ZINC001458479692 1067072313 /nfs/dbraw/zinc/07/23/13/1067072313.db2.gz SDQRFZZWONAKEU-RXVVDRJESA-N 0 0 452.530 4.983 20 0 JJADRN Cc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cn2ccnc12 ZINC001450352718 1067072652 /nfs/dbraw/zinc/07/26/52/1067072652.db2.gz OMQZDGWYIZRSEZ-KRWDZBQOSA-N 0 0 459.344 4.610 20 0 JJADRN CN(Cc1ccccc1CNc1nn2cc(-c3cccnc3)nc2s1)C(=O)OC(C)(C)C ZINC001458480667 1067072709 /nfs/dbraw/zinc/07/27/09/1067072709.db2.gz JIDAZAZECAKHTC-UHFFFAOYSA-N 0 0 450.568 4.832 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC001450350736 1067072757 /nfs/dbraw/zinc/07/27/57/1067072757.db2.gz UVXOGQGOZAWSMZ-JTSKRJEESA-N 0 0 453.366 4.583 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)SC ZINC001545778013 1067072999 /nfs/dbraw/zinc/07/29/99/1067072999.db2.gz UHGFZMNUPCDIAY-GAJHUEQPSA-N 0 0 465.063 4.905 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545778090 1067073174 /nfs/dbraw/zinc/07/31/74/1067073174.db2.gz WNHMPHVHWVTUEP-APWZRJJASA-N 0 0 463.573 4.962 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1cccc(OCC(F)F)n1 ZINC001458485175 1067073201 /nfs/dbraw/zinc/07/32/01/1067073201.db2.gz ZSADKQFZUVVPCI-UHFFFAOYSA-N 0 0 452.255 4.714 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCOC2(CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545778170 1067073293 /nfs/dbraw/zinc/07/32/93/1067073293.db2.gz ZMYCERRACODDEZ-UHFFFAOYSA-N 0 0 498.672 4.963 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001545778142 1067073303 /nfs/dbraw/zinc/07/33/03/1067073303.db2.gz YOAFRIOCCOBYNM-UHFFFAOYSA-N 0 0 469.033 4.827 20 0 JJADRN CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001458488051 1067073447 /nfs/dbraw/zinc/07/34/47/1067073447.db2.gz MXULQTPQIQLHSS-HXUWFJFHSA-N 0 0 451.947 4.744 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ncc(Br)cc2F)CC[C@@H]1C(F)(F)F ZINC001458488470 1067073683 /nfs/dbraw/zinc/07/36/83/1067073683.db2.gz ACYAECBZGQIXHV-PWSUYJOCSA-N 0 0 456.278 4.513 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(cccc2OC)C1)NC(=O)OC(C)(C)C ZINC001545779308 1067074067 /nfs/dbraw/zinc/07/40/67/1067074067.db2.gz KJJSHUFOIGMCPH-UHFFFAOYSA-N 0 0 494.640 4.928 20 0 JJADRN CCc1nc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nn1-c1ccccc1Cl ZINC001546022228 1067074243 /nfs/dbraw/zinc/07/42/43/1067074243.db2.gz ZSYSUVOUJZCVCM-KNQAVFIVSA-N 0 0 452.986 4.992 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001546022384 1067074544 /nfs/dbraw/zinc/07/45/44/1067074544.db2.gz DSFCRTUGYXZWSG-IBGZPJMESA-N 0 0 458.404 4.711 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001546022314 1067074718 /nfs/dbraw/zinc/07/47/18/1067074718.db2.gz BWYPTTPPWSMTPC-IBGZPJMESA-N 0 0 490.718 4.503 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)o2)cc1 ZINC001450385509 1067074935 /nfs/dbraw/zinc/07/49/35/1067074935.db2.gz LLFHVDRMKKPFAN-UHFFFAOYSA-N 0 0 453.583 4.832 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1)SC ZINC001545779618 1067074861 /nfs/dbraw/zinc/07/48/61/1067074861.db2.gz UJXUGSUIRUCDAP-UHFFFAOYSA-N 0 0 487.695 4.638 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545779667 1067075062 /nfs/dbraw/zinc/07/50/62/1067075062.db2.gz WPJVIHPZRPQJPA-FQEVSTJZSA-N 0 0 456.635 4.906 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)SC ZINC001545779648 1067075159 /nfs/dbraw/zinc/07/51/59/1067075159.db2.gz VOOAMCMRCLGSBA-LJQANCHMSA-N 0 0 459.582 4.725 20 0 JJADRN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc(I)cc1Cl ZINC001458499501 1067075291 /nfs/dbraw/zinc/07/52/91/1067075291.db2.gz KMVAWPCSRIYMHI-UHFFFAOYSA-N 0 0 455.723 4.814 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545779754 1067075649 /nfs/dbraw/zinc/07/56/49/1067075649.db2.gz ZRMVCGRVSMPDOT-CEWLAPEOSA-N 0 0 485.677 4.777 20 0 JJADRN C[C@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)n1ccc2ccccc2c1=O ZINC001450397422 1067075778 /nfs/dbraw/zinc/07/57/78/1067075778.db2.gz CTPAJEUCFRLZTN-IIBYNOLFSA-N 0 0 458.480 4.960 20 0 JJADRN CC1(C)CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450399684 1067075940 /nfs/dbraw/zinc/07/59/40/1067075940.db2.gz NHBFXEWVPKZVLY-QGZVFWFLSA-N 0 0 450.482 4.742 20 0 JJADRN CCc1ccc([C@H]2CCN(C(=O)c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)C2)cc1 ZINC001450395238 1067075956 /nfs/dbraw/zinc/07/59/56/1067075956.db2.gz KATWCGJXTPQIBC-QHCPKHFHSA-N 0 0 458.558 4.905 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nn1 ZINC001450401774 1067076210 /nfs/dbraw/zinc/07/62/10/1067076210.db2.gz GTMZNBXYNBXUON-NRFANRHFSA-N 0 0 458.484 4.841 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 ZINC001450402067 1067076334 /nfs/dbraw/zinc/07/63/34/1067076334.db2.gz BKBBNSHKMWKXFA-DEOSSOPVSA-N 0 0 457.998 4.759 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)C/C(C)=C\c1ccccc1)OC ZINC001545780757 1067076491 /nfs/dbraw/zinc/07/64/91/1067076491.db2.gz HAOHHQWSAQYPDZ-CYVLTUHYSA-N 0 0 465.598 4.751 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1CNC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC001450403724 1067076651 /nfs/dbraw/zinc/07/66/51/1067076651.db2.gz GZOLFEKSCHAPAW-VNTMZGSJSA-N 0 0 456.656 4.668 20 0 JJADRN CC(C)[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC001450403973 1067076750 /nfs/dbraw/zinc/07/67/50/1067076750.db2.gz HZQVVPUQKYITSQ-DGQTTZFYSA-N 0 0 456.549 4.518 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@H](c2ccccn2)c2ccccc2OC)cc1 ZINC001458503701 1067076656 /nfs/dbraw/zinc/07/66/56/1067076656.db2.gz XRFGMPFDWPSJES-SANMLTNESA-N 0 0 459.571 4.979 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)c2ccccc2n1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450404382 1067076929 /nfs/dbraw/zinc/07/69/29/1067076929.db2.gz BHZSOZJMDFUHHL-XMMPIXPASA-N 0 0 458.480 4.633 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001450404740 1067076955 /nfs/dbraw/zinc/07/69/55/1067076955.db2.gz QRMQKXSXFXJNMC-FQEVSTJZSA-N 0 0 458.883 4.580 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001450405253 1067077246 /nfs/dbraw/zinc/07/72/46/1067077246.db2.gz FNCYDQYIMFHKQQ-AWTHQZBNSA-N 0 0 458.599 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC001450409264 1067077585 /nfs/dbraw/zinc/07/75/85/1067077585.db2.gz LJWWYSLUSMDKCI-LPHOPBHVSA-N 0 0 454.970 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC001450408144 1067077665 /nfs/dbraw/zinc/07/76/65/1067077665.db2.gz JVPGCWUDYSYKHW-RTWAWAEBSA-N 0 0 452.551 4.762 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1)SC ZINC001545782452 1067077797 /nfs/dbraw/zinc/07/77/97/1067077797.db2.gz NLQLMTXWEMKDOE-OAQYLSRUSA-N 0 0 470.687 4.540 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(C)(C)C)C1)SC ZINC001545782018 1067077844 /nfs/dbraw/zinc/07/78/44/1067077844.db2.gz BHXOUISFAVJUTH-LJQANCHMSA-N 0 0 484.670 4.767 20 0 JJADRN Cc1cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1C[C@H]1CCCOC1 ZINC001450409292 1067078178 /nfs/dbraw/zinc/07/81/78/1067078178.db2.gz KSOHTBKGBUSYHE-MRXNPFEDSA-N 0 0 452.382 4.597 20 0 JJADRN Cc1sc(CC(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccco1 ZINC001450411016 1067078198 /nfs/dbraw/zinc/07/81/98/1067078198.db2.gz NSGGBMAWRGIGFD-QZTJIDSGSA-N 0 0 459.612 4.892 20 0 JJADRN COc1ccc(-n2ccc(C(=O)N3C[C@H](c4cccc(C(F)(F)F)c4)OC(C)(C)C3)n2)cc1 ZINC001450411163 1067078244 /nfs/dbraw/zinc/07/82/44/1067078244.db2.gz OYYMNWAMBYZHRQ-OAQYLSRUSA-N 0 0 459.468 4.892 20 0 JJADRN C[C@H](NC(=O)c1nccn2c(Br)cnc12)c1ccccc1OCc1ccccc1 ZINC001458507215 1067078240 /nfs/dbraw/zinc/07/82/40/1067078240.db2.gz NGSQVLQZMCYVFC-HNNXBMFYSA-N 0 0 451.324 4.562 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CC2)cc1 ZINC001450413287 1067078634 /nfs/dbraw/zinc/07/86/34/1067078634.db2.gz PXWMHYPSBIQHPP-XMMPIXPASA-N 0 0 453.970 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC001450412234 1067078649 /nfs/dbraw/zinc/07/86/49/1067078649.db2.gz OPRXQTTVMIIZNR-IRLDBZIGSA-N 0 0 453.583 4.511 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccnc(OCc2ccccc2)c1 ZINC001545783605 1067078666 /nfs/dbraw/zinc/07/86/66/1067078666.db2.gz XZGFSYVCLPPDRA-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001546101582 1067078692 /nfs/dbraw/zinc/07/86/92/1067078692.db2.gz GNFHAIAGWHXJJL-VWLOTQADSA-N 0 0 489.686 4.751 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C)SC ZINC001545783818 1067079137 /nfs/dbraw/zinc/07/91/37/1067079137.db2.gz CZZVUCHMIJDFIR-MOPGFXCFSA-N 0 0 481.707 4.540 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001546022658 1067079510 /nfs/dbraw/zinc/07/95/10/1067079510.db2.gz KBSFRPYGGSVTGF-KRWDZBQOSA-N 0 0 490.073 4.717 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450418103 1067079565 /nfs/dbraw/zinc/07/95/65/1067079565.db2.gz VFBOLYLPMQVXSU-BQJUDKOJSA-N 0 0 479.662 4.708 20 0 JJADRN C[C@H]1CC[C@@H](OC(=O)c2ccc(Br)c(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC001458516658 1067079535 /nfs/dbraw/zinc/07/95/35/1067079535.db2.gz HYAHGNAHULCQLV-WMLDXEAASA-N 0 0 452.370 4.620 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1)SC ZINC001545784037 1067079554 /nfs/dbraw/zinc/07/95/54/1067079554.db2.gz IQKPOGKAIMGRGS-QFIPXVFZSA-N 0 0 485.698 4.712 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)CC2)cc1 ZINC001450418038 1067079679 /nfs/dbraw/zinc/07/96/79/1067079679.db2.gz VCNBWKOKUBJXRT-IZZNHLLZSA-N 0 0 454.586 4.551 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(Br)c(F)cc3C)CC2)cc1 ZINC001450421883 1067079892 /nfs/dbraw/zinc/07/98/92/1067079892.db2.gz YIPLTHPEBLWCRX-OAQYLSRUSA-N 0 0 450.348 4.881 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784110 1067079935 /nfs/dbraw/zinc/07/99/35/1067079935.db2.gz KWLXRMPXDAIRTL-VQTJNVASSA-N 0 0 463.667 4.882 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ncncc1-c1ccc(Br)cc1 ZINC001458519855 1067079923 /nfs/dbraw/zinc/07/99/23/1067079923.db2.gz CTYGLMVZKRJYQF-UHFFFAOYSA-N 0 0 459.388 4.932 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCSC)CCO1 ZINC001546101670 1067080350 /nfs/dbraw/zinc/08/03/50/1067080350.db2.gz IKYMQBJSVXONHF-YADARESESA-N 0 0 481.707 4.889 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784356 1067080453 /nfs/dbraw/zinc/08/04/53/1067080453.db2.gz REUWHGJDPFZKFK-MSOLQXFVSA-N 0 0 467.680 4.545 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC001458524171 1067080659 /nfs/dbraw/zinc/08/06/59/1067080659.db2.gz XUPCLJSZBGLSQV-INMHGKMJSA-N 0 0 455.468 4.611 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1)SC ZINC001545784614 1067081108 /nfs/dbraw/zinc/08/11/08/1067081108.db2.gz WVYWJOIEWDXWHD-VQTJNVASSA-N 0 0 495.734 4.930 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)SC ZINC001545784656 1067081195 /nfs/dbraw/zinc/08/11/95/1067081195.db2.gz XXTWSBWUBVBDSR-UHFFFAOYSA-N 0 0 477.704 4.564 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784594 1067081261 /nfs/dbraw/zinc/08/12/61/1067081261.db2.gz WOFYZVJXZKSSJC-CJFMBICVSA-N 0 0 491.677 4.610 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784597 1067081351 /nfs/dbraw/zinc/08/13/51/1067081351.db2.gz WOFYZVJXZKSSJC-NLFFAJNJSA-N 0 0 491.677 4.610 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001450451601 1067081458 /nfs/dbraw/zinc/08/14/58/1067081458.db2.gz SIDMSGFECFGYIG-OAHLLOKOSA-N 0 0 454.792 4.982 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001546022925 1067081595 /nfs/dbraw/zinc/08/15/95/1067081595.db2.gz QYPXLUFNKNZGGV-HOYKHHGWSA-N 0 0 462.610 4.750 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc(Br)cc1OCCCO ZINC001450455208 1067081881 /nfs/dbraw/zinc/08/18/81/1067081881.db2.gz XWFDRAJGBJIJBH-RYGJVYDSSA-N 0 0 464.425 4.534 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)CC[C@@H](C)c1ccccc1 ZINC001458528919 1067081952 /nfs/dbraw/zinc/08/19/52/1067081952.db2.gz SCHFIQVUALXXFR-FOIQADDNSA-N 0 0 457.368 4.715 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545786229 1067081966 /nfs/dbraw/zinc/08/19/66/1067081966.db2.gz KYXRIRWPLOTCAV-IPJJNNNSSA-N 0 0 499.656 4.966 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccsc1)NC(=O)OC(C)(C)C ZINC001545786187 1067082132 /nfs/dbraw/zinc/08/21/32/1067082132.db2.gz KADWJXDQTIPRNA-GOSISDBHSA-N 0 0 463.648 4.563 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(C)ccc1F)NC(=O)OC(C)(C)C ZINC001545786524 1067082285 /nfs/dbraw/zinc/08/22/85/1067082285.db2.gz QVCUQXVDLNHGGF-IBGZPJMESA-N 0 0 489.636 4.949 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)SC ZINC001545786610 1067082374 /nfs/dbraw/zinc/08/23/74/1067082374.db2.gz SQNPEUQYCQKDAV-RBUKOAKNSA-N 0 0 481.707 4.540 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1)SC ZINC001545786559 1067082444 /nfs/dbraw/zinc/08/24/44/1067082444.db2.gz RMZFROWCTYRSNZ-FQEVSTJZSA-N 0 0 457.688 4.809 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccccn1 ZINC001546023089 1067082388 /nfs/dbraw/zinc/08/23/88/1067082388.db2.gz VTAXRJGRQKVAIK-UHFFFAOYSA-N 0 0 462.623 4.960 20 0 JJADRN Cc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3Br)CC2)cc1C ZINC001458531960 1067082603 /nfs/dbraw/zinc/08/26/03/1067082603.db2.gz KXTSBZQVHHMURO-UHFFFAOYSA-N 0 0 453.380 4.947 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C(C)C)C1)OC ZINC001545786685 1067082825 /nfs/dbraw/zinc/08/28/25/1067082825.db2.gz UUWKTRHXZYHLMX-RTWAWAEBSA-N 0 0 460.644 4.574 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC001458533276 1067082974 /nfs/dbraw/zinc/08/29/74/1067082974.db2.gz OFVODNYNXZALMH-UHFFFAOYSA-N 0 0 454.979 4.754 20 0 JJADRN Cc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccccn2)c1 ZINC001458533197 1067083040 /nfs/dbraw/zinc/08/30/40/1067083040.db2.gz NYFXLUKTGPNMHU-GAJHUEQPSA-N 0 0 454.357 4.956 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1)NC(=O)OC(C)(C)C ZINC001545787929 1067083077 /nfs/dbraw/zinc/08/30/77/1067083077.db2.gz BWISZVIESHTZFL-NRFANRHFSA-N 0 0 487.693 4.907 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)SC ZINC001545787918 1067083158 /nfs/dbraw/zinc/08/31/58/1067083158.db2.gz BPEOETMTGJLGDR-UHFFFAOYSA-N 0 0 453.697 4.703 20 0 JJADRN CN(C)[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc(Cl)c1 ZINC001450471690 1067083362 /nfs/dbraw/zinc/08/33/62/1067083362.db2.gz RIFKXBFRWZGVGM-OAQYLSRUSA-N 0 0 459.974 4.711 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](COC)C1)SC ZINC001545787916 1067083174 /nfs/dbraw/zinc/08/31/74/1067083174.db2.gz BOSACEMNRQZUEQ-XLIONFOSSA-N 0 0 467.079 4.684 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1)SC ZINC001545787915 1067083390 /nfs/dbraw/zinc/08/33/90/1067083390.db2.gz BOSACEMNRQZUEQ-PXNSSMCTSA-N 0 0 467.079 4.684 20 0 JJADRN Cc1cccc(CSCC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450467483 1067083405 /nfs/dbraw/zinc/08/34/05/1067083405.db2.gz FOVGXLASMFATOP-RPWUZVMVSA-N 0 0 452.620 4.782 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001545788127 1067083545 /nfs/dbraw/zinc/08/35/45/1067083545.db2.gz KAINJXBHTMLOEI-XMMPIXPASA-N 0 0 465.683 4.956 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cnccn1)NC(=O)OC(C)(C)C ZINC001545788099 1067083679 /nfs/dbraw/zinc/08/36/79/1067083679.db2.gz IPEZKWBOSSOBAN-UHFFFAOYSA-N 0 0 497.619 4.518 20 0 JJADRN C[C@]1(C(=O)N2CCc3c(F)ccc(Br)c3C2)CC(c2ccccc2Cl)=NO1 ZINC001450477316 1067084014 /nfs/dbraw/zinc/08/40/14/1067084014.db2.gz CCMPQTAAQYRNKS-HXUWFJFHSA-N 0 0 451.723 4.710 20 0 JJADRN CSCc1cc(C(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)ccc1F ZINC001450480069 1067084122 /nfs/dbraw/zinc/08/41/22/1067084122.db2.gz XZOLQCHOKKMMIY-GGAORHGYSA-N 0 0 456.583 4.856 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450479997 1067084172 /nfs/dbraw/zinc/08/41/72/1067084172.db2.gz XRGWBQMBHJUIJX-LOSJGSFVSA-N 0 0 450.579 4.571 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450479998 1067084235 /nfs/dbraw/zinc/08/42/35/1067084235.db2.gz XRGWBQMBHJUIJX-RPBOFIJWSA-N 0 0 450.579 4.571 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1C ZINC001458537962 1067084512 /nfs/dbraw/zinc/08/45/12/1067084512.db2.gz NUXWJXTUMLZRGV-UHFFFAOYSA-N 0 0 457.530 4.630 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C)OC ZINC001545788347 1067084531 /nfs/dbraw/zinc/08/45/31/1067084531.db2.gz RGWURSFQUJHTBQ-UHFFFAOYSA-N 0 0 459.038 4.714 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)SC ZINC001545788332 1067084649 /nfs/dbraw/zinc/08/46/49/1067084649.db2.gz QVHFFHJVZSSULK-GOSISDBHSA-N 0 0 465.063 4.834 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCc3c(F)ccc(Br)c3C2)n1 ZINC001450483163 1067084717 /nfs/dbraw/zinc/08/47/17/1067084717.db2.gz KVGUDOVQFAJESJ-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1)OC ZINC001545788525 1067084850 /nfs/dbraw/zinc/08/48/50/1067084850.db2.gz XQHILZOPHZLORI-UHFFFAOYSA-N 0 0 460.638 4.785 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1)SC ZINC001545788472 1067084892 /nfs/dbraw/zinc/08/48/92/1067084892.db2.gz WLGYDLORBNVTBT-UHFFFAOYSA-N 0 0 483.730 4.758 20 0 JJADRN COc1ccc([C@@H]2CN(c3ncnc4cc(Cl)ccc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001458541363 1067084930 /nfs/dbraw/zinc/08/49/30/1067084930.db2.gz BQPLUNPJDJMATL-PZJWPPBQSA-N 0 0 454.958 4.789 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545788410 1067085085 /nfs/dbraw/zinc/08/50/85/1067085085.db2.gz TWPNFDRNSSKFPE-RUZDIDTESA-N 0 0 477.694 4.957 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC=C(C)CC1)NC(=O)OC(C)(C)C ZINC001545789263 1067085246 /nfs/dbraw/zinc/08/52/46/1067085246.db2.gz AOGKCZIVLLEVLP-UHFFFAOYSA-N 0 0 454.619 4.504 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@H](C)c2ccc(F)c(C)c2)cc1OC ZINC001450506130 1067085643 /nfs/dbraw/zinc/08/56/43/1067085643.db2.gz HUMVURRMPSIKBH-OAHLLOKOSA-N 0 0 456.539 4.885 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)SC ZINC001545789451 1067085584 /nfs/dbraw/zinc/08/55/84/1067085584.db2.gz IEPTUDRJIKRIQR-UHFFFAOYSA-N 0 0 492.693 4.585 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1)SC ZINC001545789482 1067085671 /nfs/dbraw/zinc/08/56/71/1067085671.db2.gz JCKDLPLYHTVQFA-FQEVSTJZSA-N 0 0 468.671 4.527 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCC(c2ncc(C)s2)CC1)OC ZINC001545789655 1067086103 /nfs/dbraw/zinc/08/61/03/1067086103.db2.gz OPBWIAKBOLZBFN-UHFFFAOYSA-N 0 0 454.644 4.618 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC001458549154 1067086202 /nfs/dbraw/zinc/08/62/02/1067086202.db2.gz WAHDMXSCGWHRCR-FQEVSTJZSA-N 0 0 451.611 4.797 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(Br)ncc1Cl ZINC001458549729 1067086508 /nfs/dbraw/zinc/08/65/08/1067086508.db2.gz XAIYBCYRDCAILG-CYBMUJFWSA-N 0 0 452.780 4.994 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450532729 1067086673 /nfs/dbraw/zinc/08/66/73/1067086673.db2.gz WQQBLGFTBCXAFL-UHFFFAOYSA-N 0 0 455.805 4.801 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546102059 1067086943 /nfs/dbraw/zinc/08/69/43/1067086943.db2.gz QFMPNBJUCORERJ-RUZDIDTESA-N 0 0 485.654 4.673 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCc2cc(Br)ccc2C1)OC ZINC001545789913 1067086952 /nfs/dbraw/zinc/08/69/52/1067086952.db2.gz YCSBZOFCSXZDOI-UHFFFAOYSA-N 0 0 484.442 4.794 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc4cccc(Br)c4n3)n[nH]2)cc1OC ZINC001545790031 1067087112 /nfs/dbraw/zinc/08/71/12/1067087112.db2.gz BEJNHFZXYPIFNV-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)O[C@H]1CCSc2ccccc21 ZINC001458554565 1067087122 /nfs/dbraw/zinc/08/71/22/1067087122.db2.gz DUSMDYMDNKYWOX-KRWDZBQOSA-N 0 0 455.395 4.783 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2)CC1)OC ZINC001545790911 1067087424 /nfs/dbraw/zinc/08/74/24/1067087424.db2.gz AXRSLSRKKRTKOH-UHFFFAOYSA-N 0 0 453.656 4.852 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CCc2ccsc2)CCO1 ZINC001546102112 1067087790 /nfs/dbraw/zinc/08/77/90/1067087790.db2.gz RKMVXIWBBJSTOR-QHCPKHFHSA-N 0 0 458.653 4.889 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)SC ZINC001545791092 1067087818 /nfs/dbraw/zinc/08/78/18/1067087818.db2.gz HLDPLMSQYCJNMD-BBRMVZONSA-N 0 0 477.622 4.712 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)SC ZINC001545791093 1067087850 /nfs/dbraw/zinc/08/78/50/1067087850.db2.gz HLDPLMSQYCJNMD-CJNGLKHVSA-N 0 0 477.622 4.712 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545791125 1067087959 /nfs/dbraw/zinc/08/79/59/1067087959.db2.gz HXUVJSVYRBMZAM-JXFKEZNVSA-N 0 0 479.547 4.711 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)SC ZINC001545791095 1067087973 /nfs/dbraw/zinc/08/79/73/1067087973.db2.gz HLDPLMSQYCJNMD-XJKSGUPXSA-N 0 0 477.622 4.712 20 0 JJADRN Cc1ccc(C2(C(=O)NCCCOc3ncc(C(F)(F)F)cc3Cl)CCOCC2)cc1 ZINC001458566301 1067088171 /nfs/dbraw/zinc/08/81/71/1067088171.db2.gz APCRKHVCCBRFCA-UHFFFAOYSA-N 0 0 456.892 4.696 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccccn2)CC1)SC ZINC001545791321 1067088789 /nfs/dbraw/zinc/08/87/89/1067088789.db2.gz OCKHARMAMKBMOI-UHFFFAOYSA-N 0 0 464.683 4.707 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001545791331 1067088868 /nfs/dbraw/zinc/08/88/68/1067088868.db2.gz OLTOJWAGTUJRMK-HXUWFJFHSA-N 0 0 474.593 4.665 20 0 JJADRN CC(=O)N1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC12CCCCC2 ZINC001458568059 1067088818 /nfs/dbraw/zinc/08/88/18/1067088818.db2.gz KAGATAPBFLNTTK-UHFFFAOYSA-N 0 0 450.366 4.964 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)NC(=O)OC(C)(C)C ZINC001545791547 1067089212 /nfs/dbraw/zinc/08/92/12/1067089212.db2.gz WYXSXYMDEZOFSI-QFIPXVFZSA-N 0 0 499.704 4.969 20 0 JJADRN Cc1cc(N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)nc(-c2ccc(Br)cc2)n1 ZINC001458569134 1067089496 /nfs/dbraw/zinc/08/94/96/1067089496.db2.gz DMTZCAXJLWVITK-IBGZPJMESA-N 0 0 453.340 4.676 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](COC)C1)OC ZINC001545791612 1067089639 /nfs/dbraw/zinc/08/96/39/1067089639.db2.gz ZXKBTCHSTUNGOS-HXUWFJFHSA-N 0 0 453.631 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1)C1CCCC1 ZINC001458574182 1067089804 /nfs/dbraw/zinc/08/98/04/1067089804.db2.gz OPMRIAWCHGRCHV-BEFAXECRSA-N 0 0 451.011 4.524 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1)C1CCCC1 ZINC001458574198 1067089860 /nfs/dbraw/zinc/08/98/60/1067089860.db2.gz OPMRIAWCHGRCHV-KXBFYZLASA-N 0 0 451.011 4.524 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1)C1CCCC1 ZINC001458574188 1067089873 /nfs/dbraw/zinc/08/98/73/1067089873.db2.gz OPMRIAWCHGRCHV-DNVCBOLYSA-N 0 0 451.011 4.524 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450551231 1067089989 /nfs/dbraw/zinc/08/99/89/1067089989.db2.gz KATZTTRSEKOQOW-YJBOKZPZSA-N 0 0 457.398 4.629 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c3c2CCCC3)cc1 ZINC001450553221 1067090704 /nfs/dbraw/zinc/09/07/04/1067090704.db2.gz WXVIPDVWHYACLW-LJQANCHMSA-N 0 0 454.615 4.873 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458585219 1067090912 /nfs/dbraw/zinc/09/09/12/1067090912.db2.gz IXLHPOGLIYTLGN-MRXNPFEDSA-N 0 0 455.700 4.996 20 0 JJADRN C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1nccn1-c1ccccc1 ZINC001450553991 1067090927 /nfs/dbraw/zinc/09/09/27/1067090927.db2.gz YWSHYZOVRURBPR-YWZLYKJASA-N 0 0 456.493 4.594 20 0 JJADRN COCc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)sc2cccc(F)c21 ZINC001458588876 1067091189 /nfs/dbraw/zinc/09/11/89/1067091189.db2.gz CYBVCXNNHBYRER-INIZCTEOSA-N 0 0 450.894 4.515 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)c1c(F)cccc1F ZINC001458588221 1067091229 /nfs/dbraw/zinc/09/12/29/1067091229.db2.gz BIUBWKALTZKFME-OXJNMPFZSA-N 0 0 450.913 4.503 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1C(C)C ZINC001458587266 1067091314 /nfs/dbraw/zinc/09/13/14/1067091314.db2.gz NMBWMOKLYOSTSE-HXUWFJFHSA-N 0 0 454.933 4.632 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cc1NS(C)(=O)=O ZINC001450557253 1067091519 /nfs/dbraw/zinc/09/15/19/1067091519.db2.gz XYDHNNBPTKNOPZ-IBGZPJMESA-N 0 0 456.530 4.773 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c(C)c1OC ZINC001450559739 1067091603 /nfs/dbraw/zinc/09/16/03/1067091603.db2.gz CMNLZAULQKODOD-UWJYYQICSA-N 0 0 454.567 4.724 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)cc1 ZINC001458592276 1067091801 /nfs/dbraw/zinc/09/18/01/1067091801.db2.gz XGPJBMZZGBQLOD-UHFFFAOYSA-N 0 0 459.612 4.575 20 0 JJADRN CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1)SC ZINC001545793138 1067091695 /nfs/dbraw/zinc/09/16/95/1067091695.db2.gz XHCZLSRYPHCICJ-FQEVSTJZSA-N 0 0 469.655 4.592 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccccc2CO)CC1)SC ZINC001545792974 1067091754 /nfs/dbraw/zinc/09/17/54/1067091754.db2.gz SGXCSQRMZHDLJE-UHFFFAOYSA-N 0 0 496.725 4.938 20 0 JJADRN CCC(CC)(Cn1c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nnc1C(C)(C)C)SC ZINC001545794354 1067092224 /nfs/dbraw/zinc/09/22/24/1067092224.db2.gz AOMRZLAYFPORIJ-SFHVURJKSA-N 0 0 451.725 4.875 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)SC ZINC001545794370 1067092463 /nfs/dbraw/zinc/09/24/63/1067092463.db2.gz BFRHOZPXKUBMCN-CYFREDJKSA-N 0 0 492.661 4.692 20 0 JJADRN O=C(Nc1cccc2c1OCCO2)c1cc(I)c(Cl)cc1Cl ZINC001458598815 1067092462 /nfs/dbraw/zinc/09/24/62/1067092462.db2.gz MMBUUVKILISEHI-UHFFFAOYSA-N 0 0 450.059 4.622 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)OC ZINC001545794478 1067092478 /nfs/dbraw/zinc/09/24/78/1067092478.db2.gz DUEWTMMYQJDFAV-UHFFFAOYSA-N 0 0 484.563 4.573 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)SC ZINC001545794371 1067092528 /nfs/dbraw/zinc/09/25/28/1067092528.db2.gz BFRHOZPXKUBMCN-DVECYGJZSA-N 0 0 492.661 4.692 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1c(C(F)(F)F)nc2ccccn21 ZINC001458603868 1067092875 /nfs/dbraw/zinc/09/28/75/1067092875.db2.gz MFZQSCYDPUDVSS-UHFFFAOYSA-N 0 0 456.211 4.598 20 0 JJADRN CCOC(=O)[C@@H]1[C@@H]2CCN(c3cc(C(F)(F)F)nc4c(F)cc(Br)cc34)C[C@@H]21 ZINC001458601792 1067092891 /nfs/dbraw/zinc/09/28/91/1067092891.db2.gz CMAXOYRTTCPFTI-RSAASHCRSA-N 0 0 461.253 4.791 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)OC ZINC001545794554 1067092962 /nfs/dbraw/zinc/09/29/62/1067092962.db2.gz HAEFGFRSXMJPKS-HXUWFJFHSA-N 0 0 497.606 4.752 20 0 JJADRN CCC(CC)(Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545794605 1067093063 /nfs/dbraw/zinc/09/30/63/1067093063.db2.gz IUPPYJQREFIKNW-SANMLTNESA-N 0 0 474.646 4.706 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)OCc3cn(-c4ccc(F)cc4Cl)nn3)nc2)c1 ZINC001458601144 1067092980 /nfs/dbraw/zinc/09/29/80/1067092980.db2.gz HXDRIGVURWWQIU-UHFFFAOYSA-N 0 0 454.845 4.613 20 0 JJADRN COCCCOc1cccc(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)c1C ZINC001458602351 1067093095 /nfs/dbraw/zinc/09/30/95/1067093095.db2.gz DBDVFWMGSNYNEJ-UHFFFAOYSA-N 0 0 450.322 4.655 20 0 JJADRN O=C(c1oc(C2CC2)nc1C(F)F)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450597465 1067093205 /nfs/dbraw/zinc/09/32/05/1067093205.db2.gz CNOFWMJIAWYXHZ-XJKSGUPXSA-N 0 0 455.299 4.838 20 0 JJADRN CCOc1cc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc(OCC)c1OCC ZINC001450598052 1067093218 /nfs/dbraw/zinc/09/32/18/1067093218.db2.gz LVBNSLCKZLGWGH-UHFFFAOYSA-N 0 0 451.567 4.854 20 0 JJADRN O=C(Nc1ccc(C(=O)OCc2cn(-c3ccc(F)cc3Cl)nn2)cc1)c1ccccc1 ZINC001458606396 1067093292 /nfs/dbraw/zinc/09/32/92/1067093292.db2.gz VZJZSOGHHLQEIY-UHFFFAOYSA-N 0 0 450.857 4.669 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1)SC ZINC001545794738 1067093270 /nfs/dbraw/zinc/09/32/70/1067093270.db2.gz NCRIKEKSKWOEJY-UHFFFAOYSA-N 0 0 484.645 4.640 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545794681 1067093307 /nfs/dbraw/zinc/09/33/07/1067093307.db2.gz KQTMVBPGRHJCLY-UHFFFAOYSA-N 0 0 486.016 4.682 20 0 JJADRN CCC(CC)(Cn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1C(C)(C)C)SC ZINC001545794742 1067093320 /nfs/dbraw/zinc/09/33/20/1067093320.db2.gz NHNQEAVAENCDRM-UHFFFAOYSA-N 0 0 459.704 4.970 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545794813 1067093580 /nfs/dbraw/zinc/09/35/80/1067093580.db2.gz PCNYOICPCINJPO-CALCHBBNSA-N 0 0 454.537 4.929 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cnn(CC(C)C)c3C3CC3)c2)c1 ZINC001450599963 1067093738 /nfs/dbraw/zinc/09/37/38/1067093738.db2.gz WQVWSVABXNIDSY-UHFFFAOYSA-N 0 0 452.580 4.778 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(c2nccs2)CC1)OC ZINC001545794834 1067093780 /nfs/dbraw/zinc/09/37/80/1067093780.db2.gz POZVURVQZSVCBB-UHFFFAOYSA-N 0 0 498.697 4.852 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C[C@H](C)CSc4ccccc43)c2)C1 ZINC001458608948 1067094101 /nfs/dbraw/zinc/09/41/01/1067094101.db2.gz OWWXCEBZFJHGHP-OTWHNJEPSA-N 0 0 458.649 4.742 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3Br)CC2=O)ccc1F ZINC001458608842 1067094143 /nfs/dbraw/zinc/09/41/43/1067094143.db2.gz KKDXMDOYOJEPCT-NSHDSACASA-N 0 0 459.237 4.907 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)SC ZINC001545794909 1067094173 /nfs/dbraw/zinc/09/41/73/1067094173.db2.gz RMNGERKPKZYOIS-RTWAWAEBSA-N 0 0 458.672 4.950 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC[C@@H]([C@@H](O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC001450605682 1067094592 /nfs/dbraw/zinc/09/45/92/1067094592.db2.gz LKHQZFINPXNFAX-KNQAVFIVSA-N 0 0 456.384 4.621 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611016 1067094615 /nfs/dbraw/zinc/09/46/15/1067094615.db2.gz URHRNXJFGYOIFJ-ZBFHGGJFSA-N 0 0 459.461 4.550 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCSC2)C1)OC ZINC001545794979 1067094699 /nfs/dbraw/zinc/09/46/99/1067094699.db2.gz TUPPQRZDVLLTDQ-YDIMBITNSA-N 0 0 493.718 4.587 20 0 JJADRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611224 1067094977 /nfs/dbraw/zinc/09/49/77/1067094977.db2.gz VKYIZKFQHIBZEO-CQSZACIVSA-N 0 0 459.461 4.937 20 0 JJADRN C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001458611392 1067094992 /nfs/dbraw/zinc/09/49/92/1067094992.db2.gz WAHAWBKJAGLMPW-CQSZACIVSA-N 0 0 453.029 4.805 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C1)CCCOC2)OC ZINC001545795139 1067094883 /nfs/dbraw/zinc/09/48/83/1067094883.db2.gz ZBCXGWUXMZHJAA-RUZDIDTESA-N 0 0 456.631 4.686 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1)OC ZINC001545795130 1067095179 /nfs/dbraw/zinc/09/51/79/1067095179.db2.gz YQIXNWUQLMEETE-IBGZPJMESA-N 0 0 462.610 4.985 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1Cl ZINC001450610909 1067095650 /nfs/dbraw/zinc/09/56/50/1067095650.db2.gz RHEFCDKVLSYQHG-UHFFFAOYSA-N 0 0 453.996 4.941 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC001458612904 1067095823 /nfs/dbraw/zinc/09/58/23/1067095823.db2.gz GCVJWCGHBIFEQV-KZULUSFZSA-N 0 0 453.739 4.610 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCc2ccc(OC)cc2C1)NC(=O)OC(C)(C)C ZINC001545796376 1067095883 /nfs/dbraw/zinc/09/58/83/1067095883.db2.gz DCVPMLNVJBFCRZ-JOCHJYFZSA-N 0 0 499.656 4.784 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)SC ZINC001545796353 1067095897 /nfs/dbraw/zinc/09/58/97/1067095897.db2.gz BYDYXUXLASYWNK-PNJWGLBASA-N 0 0 488.698 4.890 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C2CCOCC2)C1)OC ZINC001545796324 1067095941 /nfs/dbraw/zinc/09/59/41/1067095941.db2.gz BFJGMLCQFQRZJM-BHDDXSALSA-N 0 0 462.679 4.655 20 0 JJADRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450615687 1067095903 /nfs/dbraw/zinc/09/59/03/1067095903.db2.gz GVGSHHXSVMZCCN-FXAWDEMLSA-N 0 0 459.635 4.703 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1 ZINC001450611527 1067096091 /nfs/dbraw/zinc/09/60/91/1067096091.db2.gz YGSIFXVYFDGDIY-SFHVURJKSA-N 0 0 450.284 4.675 20 0 JJADRN O=C(c1cccc(Br)c1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450617355 1067096291 /nfs/dbraw/zinc/09/62/91/1067096291.db2.gz ZHSZZXMIRPIBEW-CRAIPNDOSA-N 0 0 453.174 4.797 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546102413 1067096378 /nfs/dbraw/zinc/09/63/78/1067096378.db2.gz XUCZSCUSYAZFBN-FCHUYYIVSA-N 0 0 451.036 4.802 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccsc2Br)CCO1 ZINC001546102411 1067096429 /nfs/dbraw/zinc/09/64/29/1067096429.db2.gz XTTYYQDUXJQEKQ-NRFANRHFSA-N 0 0 495.418 4.874 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2OC)CC1)OC ZINC001545796516 1067096434 /nfs/dbraw/zinc/09/64/34/1067096434.db2.gz HUIRIEFMVIAKPI-ZJSXRUAMSA-N 0 0 499.700 4.737 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C(C)C)C1)SC ZINC001545796855 1067096995 /nfs/dbraw/zinc/09/69/95/1067096995.db2.gz RDQNAUFUTJHLHS-FHWLQOOXSA-N 0 0 456.722 4.502 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(F)c1)NC(=O)OC(C)(C)C ZINC001545796913 1067097009 /nfs/dbraw/zinc/09/70/09/1067097009.db2.gz SETGFFHAXJWCLE-HXUWFJFHSA-N 0 0 475.609 4.989 20 0 JJADRN CCC(CC)(Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545796824 1067097166 /nfs/dbraw/zinc/09/71/66/1067097166.db2.gz QOWRZRQPPHSUIX-KRWDZBQOSA-N 0 0 492.690 4.694 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545797908 1067097387 /nfs/dbraw/zinc/09/73/87/1067097387.db2.gz BWWOWTHTVGJPII-VWNXMTODSA-N 0 0 467.662 4.780 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001450632256 1067097837 /nfs/dbraw/zinc/09/78/37/1067097837.db2.gz YKRQUCNXEYMFRU-UBGDJQHYSA-N 0 0 481.559 4.824 20 0 JJADRN CC(C)c1ccnc(N2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)CC2)n1 ZINC001458627590 1067097927 /nfs/dbraw/zinc/09/79/27/1067097927.db2.gz QDUWMKZHDRYBCP-UHFFFAOYSA-N 0 0 459.978 4.563 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(Cl)s2)CCO1 ZINC001546102454 1067097957 /nfs/dbraw/zinc/09/79/57/1067097957.db2.gz YKVFZNAZEHRAHK-RADWXHQJSA-N 0 0 453.052 4.965 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)c1 ZINC001458626195 1067098035 /nfs/dbraw/zinc/09/80/35/1067098035.db2.gz PHDXAVADRYSFHB-UHFFFAOYSA-N 0 0 458.558 4.636 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(Cl)s2)CCO1 ZINC001546102453 1067098089 /nfs/dbraw/zinc/09/80/89/1067098089.db2.gz YKVFZNAZEHRAHK-CDMIOBSGSA-N 0 0 453.052 4.965 20 0 JJADRN O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CC[C@@H]1C(F)(F)F ZINC001450638838 1067097988 /nfs/dbraw/zinc/09/79/88/1067097988.db2.gz KMQUMZFYFIXMNA-OAHLLOKOSA-N 0 0 453.269 4.571 20 0 JJADRN COC(=O)c1cc(C(C)(C)NC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)no1 ZINC001450636309 1067098161 /nfs/dbraw/zinc/09/81/61/1067098161.db2.gz WNSPZGJRPUKAST-UHFFFAOYSA-N 0 0 459.524 4.688 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)OC ZINC001545798089 1067098204 /nfs/dbraw/zinc/09/82/04/1067098204.db2.gz FULHGRPTKXPSNV-GQWLDOHISA-N 0 0 453.002 4.786 20 0 JJADRN CCOc1cc(C(=O)N(OC)[C@@H](C)c2ccccc2C)ccc1OCC(=O)N1CCCCC1 ZINC001450638784 1067098315 /nfs/dbraw/zinc/09/83/15/1067098315.db2.gz KDZACWPGBLALQN-FQEVSTJZSA-N 0 0 454.567 4.550 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001546024667 1067098630 /nfs/dbraw/zinc/09/86/30/1067098630.db2.gz MPFICBXPACDFKC-LSDHHAIUSA-N 0 0 453.400 4.880 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ccncc1OC[C@H]1CCOC1 ZINC001450642776 1067098671 /nfs/dbraw/zinc/09/86/71/1067098671.db2.gz BJOPXVCXKPXMCF-SFHVURJKSA-N 0 0 453.608 4.772 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCOC1)OC ZINC001545798244 1067098653 /nfs/dbraw/zinc/09/86/53/1067098653.db2.gz HZJBUEGLTALYNN-YLJYHZDGSA-N 0 0 483.426 4.913 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545798245 1067098735 /nfs/dbraw/zinc/09/87/35/1067098735.db2.gz IAJSJDXGSGAJDR-NFBKMPQASA-N 0 0 472.630 4.766 20 0 JJADRN O=C(Nc1ccc(Cl)cc1OC(F)F)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001458629506 1067099119 /nfs/dbraw/zinc/09/91/19/1067099119.db2.gz VOJBERXGUTYTAO-UHFFFAOYSA-N 0 0 455.848 4.952 20 0 JJADRN O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(F)(F)c1ccccc1 ZINC001450650458 1067099060 /nfs/dbraw/zinc/09/90/60/1067099060.db2.gz GFAZZESQYLMYOZ-UHFFFAOYSA-N 0 0 450.485 4.823 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)OC(C)(C)C1)OC ZINC001545798251 1067099260 /nfs/dbraw/zinc/09/92/60/1067099260.db2.gz IBXVTEUWSODZHB-JXFKEZNVSA-N 0 0 496.494 4.891 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001546024774 1067099354 /nfs/dbraw/zinc/09/93/54/1067099354.db2.gz PVTXZOGVAJXTPB-UHFFFAOYSA-N 0 0 492.064 4.985 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1C)OC ZINC001545798308 1067099389 /nfs/dbraw/zinc/09/93/89/1067099389.db2.gz JBCKVSKHGHIRJR-KXBFYZLASA-N 0 0 452.441 4.876 20 0 JJADRN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCCC[C@H]1c1ccccc1 ZINC001458633959 1067099706 /nfs/dbraw/zinc/09/97/06/1067099706.db2.gz VTXMREOGZHLBLC-FQEVSTJZSA-N 0 0 455.352 4.579 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001546024900 1067099860 /nfs/dbraw/zinc/09/98/60/1067099860.db2.gz UUJCGKBTUGOKSD-RTBURBONSA-N 0 0 478.584 4.741 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC ZINC001545798401 1067099806 /nfs/dbraw/zinc/09/98/06/1067099806.db2.gz KNRGQMGSQSVWDR-FYYLOGMGSA-N 0 0 480.661 4.635 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C)C1)OC ZINC001545798411 1067100058 /nfs/dbraw/zinc/10/00/58/1067100058.db2.gz KQJKLGUKNYLPJU-HRAATJIYSA-N 0 0 495.462 4.783 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001546024856 1067100015 /nfs/dbraw/zinc/10/00/15/1067100015.db2.gz SJOWPMVONKYLKI-HXUWFJFHSA-N 0 0 483.838 4.529 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC(C)(C)C1 ZINC001546024935 1067100683 /nfs/dbraw/zinc/10/06/83/1067100683.db2.gz VQQIYJDYUOFCNU-UHFFFAOYSA-N 0 0 465.436 4.894 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001458652043 1067100627 /nfs/dbraw/zinc/10/06/27/1067100627.db2.gz PMLWVKZNYBTSGG-OAQYLSRUSA-N 0 0 456.652 4.900 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)c2ccccc2)CCO1 ZINC001546102530 1067100739 /nfs/dbraw/zinc/10/07/39/1067100739.db2.gz ZRBKNKXDHQUYIS-WAHZDWKKSA-N 0 0 469.674 4.727 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](OC)C1)OC ZINC001545798604 1067101180 /nfs/dbraw/zinc/10/11/80/1067101180.db2.gz OAEGOYLIBHMNNQ-NDXORKPFSA-N 0 0 496.494 4.749 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](OC)C1)OC ZINC001545798605 1067101215 /nfs/dbraw/zinc/10/12/15/1067101215.db2.gz OAEGOYLIBHMNNQ-ORYQWCPZSA-N 0 0 496.494 4.749 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)=C(Br)C1 ZINC001546024956 1067101221 /nfs/dbraw/zinc/10/12/21/1067101221.db2.gz WDIJKDRBMJKBPV-UHFFFAOYSA-N 0 0 485.373 4.977 20 0 JJADRN CC(C)n1ncc2c1[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CCC2 ZINC001458657353 1067101280 /nfs/dbraw/zinc/10/12/80/1067101280.db2.gz JYJUFOSMSWJOES-KBEBWBJJSA-N 0 0 455.002 4.706 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1cc(Br)c(F)cc1N ZINC001450671340 1067101271 /nfs/dbraw/zinc/10/12/71/1067101271.db2.gz LXOGVDGZIQZMAZ-UHFFFAOYSA-N 0 0 450.077 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC001450671750 1067101472 /nfs/dbraw/zinc/10/14/72/1067101472.db2.gz ITOYKQSKPDVBLW-QRWLVFNGSA-N 0 0 457.398 4.977 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1)OC ZINC001545798691 1067101939 /nfs/dbraw/zinc/10/19/39/1067101939.db2.gz PNUIDTKGNBOJMH-HFSMHLIXSA-N 0 0 487.714 4.674 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CCSC ZINC001546025076 1067101963 /nfs/dbraw/zinc/10/19/63/1067101963.db2.gz ZWSSRQTUIXJSBZ-CQSZACIVSA-N 0 0 473.456 4.976 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001458660462 1067102519 /nfs/dbraw/zinc/10/25/19/1067102519.db2.gz TWYRLKHDVHKBLG-UHFFFAOYSA-N 0 0 459.340 4.806 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)COC ZINC001450683492 1067102677 /nfs/dbraw/zinc/10/26/77/1067102677.db2.gz ZYYBRPMZNOHNGC-UUOWRZLLSA-N 0 0 452.595 4.729 20 0 JJADRN Cc1c(Cl)cc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl ZINC001450683773 1067102692 /nfs/dbraw/zinc/10/26/92/1067102692.db2.gz OQGKPAYPAYZKSA-UHFFFAOYSA-N 0 0 456.395 4.673 20 0 JJADRN Cc1c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)nnn1-c1ccccc1Cl ZINC001458660866 1067103015 /nfs/dbraw/zinc/10/30/15/1067103015.db2.gz XPUYJSUKGKRKSY-UHFFFAOYSA-N 0 0 450.901 4.877 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2nc3cc(Br)ccc3o2)cc1 ZINC001450687922 1067103285 /nfs/dbraw/zinc/10/32/85/1067103285.db2.gz HHPNUEDOQKORFD-UHFFFAOYSA-N 0 0 459.340 4.904 20 0 JJADRN CCOc1cccc(N2CCC(Nc3ncncc3-c3ccc(Br)cc3)CC2)n1 ZINC001458664397 1067103798 /nfs/dbraw/zinc/10/37/98/1067103798.db2.gz SGAKQLBREAFIGW-UHFFFAOYSA-N 0 0 454.372 4.781 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1 ZINC001458663542 1067103901 /nfs/dbraw/zinc/10/39/01/1067103901.db2.gz UUKZGRCPIGQGFA-IBGZPJMESA-N 0 0 456.608 4.602 20 0 JJADRN Clc1cc(Oc2cc(Br)cnc2I)nc(C2CC2)n1 ZINC001458665418 1067103928 /nfs/dbraw/zinc/10/39/28/1067103928.db2.gz GBGPFMPNYHGWNX-UHFFFAOYSA-N 0 0 452.477 4.562 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545799114 1067104176 /nfs/dbraw/zinc/10/41/76/1067104176.db2.gz WYQYWHTWPDBCPW-YADHBBJMSA-N 0 0 471.646 4.890 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3sccc32)c1 ZINC001458666457 1067104191 /nfs/dbraw/zinc/10/41/91/1067104191.db2.gz ZKZLDAVGIWOFIC-LJQANCHMSA-N 0 0 457.573 4.722 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C)OC ZINC001545799185 1067104432 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/nfs/dbraw/zinc/12/36/16/1067123616.db2.gz PYGGPZDQAHXKLA-RTWAWAEBSA-N 0 0 456.329 4.709 20 0 JJADRN Cc1sc2nc(SCC(=O)Nc3ccccn3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC001458733449 1067124068 /nfs/dbraw/zinc/12/40/68/1067124068.db2.gz QANATBZRISBETC-UHFFFAOYSA-N 0 0 456.980 4.843 20 0 JJADRN CCOC(=O)[C@@H]1C[C@H]1CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC001458733211 1067124096 /nfs/dbraw/zinc/12/40/96/1067124096.db2.gz SCJMSGLLJNUSBU-LSDHHAIUSA-N 0 0 462.369 4.640 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCOCc3ccccc3)c2)c1 ZINC001450805048 1067124296 /nfs/dbraw/zinc/12/42/96/1067124296.db2.gz PKUITFVIYLUXJD-FQEVSTJZSA-N 0 0 452.576 4.521 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001546026400 1067125710 /nfs/dbraw/zinc/12/57/10/1067125710.db2.gz NQUIGNFOGKUYEN-FQEVSTJZSA-N 0 0 497.043 4.708 20 0 JJADRN Cc1c2cc(C)c(C)cc2sc1C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450821763 1067125721 /nfs/dbraw/zinc/12/57/21/1067125721.db2.gz DIZDWWLWTVZWFP-LJQANCHMSA-N 0 0 457.640 4.594 20 0 JJADRN COC(=O)C1(c2ccc(CSc3nnc([C@H](C)N(C)C)n3-c3ccc(F)cc3)cc2)CC1 ZINC001458736636 1067126088 /nfs/dbraw/zinc/12/60/88/1067126088.db2.gz PPFPZBGMRYQSRS-INIZCTEOSA-N 0 0 454.571 4.526 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)N(C)C(=O)OC(C)(C)C ZINC001450823245 1067126382 /nfs/dbraw/zinc/12/63/82/1067126382.db2.gz AHGOJNOHDKTKBS-YVEFUNNKSA-N 0 0 450.377 4.679 20 0 JJADRN Cc1cccc(C2(C(=O)N3CCC([C@@H]4OCCC[C@@H]4NC(=O)OC(C)(C)C)CC3)CCC2)c1 ZINC001450827061 1067126436 /nfs/dbraw/zinc/12/64/36/1067126436.db2.gz FFHFVPARJRSACL-GOTSBHOMSA-N 0 0 456.627 4.728 20 0 JJADRN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450823472 1067126480 /nfs/dbraw/zinc/12/64/80/1067126480.db2.gz CIIPHERWXGIFJZ-CTNGQTDRSA-N 0 0 457.368 4.643 20 0 JJADRN CCCn1c2nnc(SCc3cccc(SC(=O)N(C)C)c3)n2c2ccccc2c1=O ZINC001458738143 1067127036 /nfs/dbraw/zinc/12/70/36/1067127036.db2.gz RRBGLFGAIIGXCF-UHFFFAOYSA-N 0 0 453.593 4.520 20 0 JJADRN Cc1cccc(C2(C(=O)N3CCC([C@H]4OCCC[C@@H]4NC(=O)OC(C)(C)C)CC3)CCC2)c1 ZINC001450827068 1067127200 /nfs/dbraw/zinc/12/72/00/1067127200.db2.gz FFHFVPARJRSACL-XZOQPEGZSA-N 0 0 456.627 4.728 20 0 JJADRN Cc1cccn(Cc2c(F)cccc2NC(=O)c2c[nH]c3cccc(Br)c32)c1=O ZINC001450831544 1067127662 /nfs/dbraw/zinc/12/76/62/1067127662.db2.gz HKBXXBJBGMKPAO-UHFFFAOYSA-N 0 0 454.299 4.840 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c2cccs2)cc1 ZINC001458739132 1067128271 /nfs/dbraw/zinc/12/82/71/1067128271.db2.gz ZKIDPEOATNMNGQ-JOCHJYFZSA-N 0 0 453.608 4.551 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001458742685 1067128946 /nfs/dbraw/zinc/12/89/46/1067128946.db2.gz YZLGETZPLVKYGW-KXBFYZLASA-N 0 0 456.514 4.870 20 0 JJADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC001450838096 1067129421 /nfs/dbraw/zinc/12/94/21/1067129421.db2.gz UQFGZPYCWJNCGU-VXGBXAGGSA-N 0 0 457.340 4.665 20 0 JJADRN Nn1c(SCc2cc(F)cc(Br)c2)nnc1-c1ccccc1Br ZINC001458744954 1067129511 /nfs/dbraw/zinc/12/95/11/1067129511.db2.gz HIJPCKOEXZYEQX-UHFFFAOYSA-N 0 0 458.154 4.615 20 0 JJADRN C[C@@H]1Oc2c(cccc2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)NC1=O ZINC001450840230 1067130210 /nfs/dbraw/zinc/13/02/10/1067130210.db2.gz YDFSCNDSEAMSPL-AOMKIAJQSA-N 0 0 450.922 4.747 20 0 JJADRN Cc1ccc(F)c(N2CCC[C@H](Sc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)C2=O)c1 ZINC001458751504 1067131613 /nfs/dbraw/zinc/13/16/13/1067131613.db2.gz UZUHNVWGIMSLSX-FQEVSTJZSA-N 0 0 453.587 4.692 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(c3cccc(F)c3)CC2)ccc1Cl ZINC001450854804 1067132414 /nfs/dbraw/zinc/13/24/14/1067132414.db2.gz ZWWABZANJNCOIP-UHFFFAOYSA-N 0 0 452.979 4.576 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001450851275 1067132500 /nfs/dbraw/zinc/13/25/00/1067132500.db2.gz POYZQIAFUCSFPH-UHFFFAOYSA-N 0 0 452.551 4.671 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCc1c(C)nsc1C ZINC001458756692 1067132770 /nfs/dbraw/zinc/13/27/70/1067132770.db2.gz YYLQOCWAQSXDSZ-UHFFFAOYSA-N 0 0 450.655 4.596 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C(C)C)cs2)C1 ZINC001546103268 1067132782 /nfs/dbraw/zinc/13/27/82/1067132782.db2.gz FDIJEKSBRYDJJV-UHFFFAOYSA-N 0 0 453.616 4.570 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C1 ZINC001546103214 1067132926 /nfs/dbraw/zinc/13/29/26/1067132926.db2.gz CSSQCCLCDGAJMU-UHFFFAOYSA-N 0 0 453.631 4.614 20 0 JJADRN Cc1ccsc1CCCC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001450860745 1067133116 /nfs/dbraw/zinc/13/31/16/1067133116.db2.gz QANWZZLHCDLCMD-DENIHFKCSA-N 0 0 450.645 4.690 20 0 JJADRN CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458760930 1067133524 /nfs/dbraw/zinc/13/35/24/1067133524.db2.gz GLUFBLQIPKVOKQ-CRAIPNDOSA-N 0 0 457.258 4.562 20 0 JJADRN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cc(Br)ncc1Br ZINC001450883540 1067133689 /nfs/dbraw/zinc/13/36/89/1067133689.db2.gz FPJMPTQGTTWTLI-UHFFFAOYSA-N 0 0 458.060 4.527 20 0 JJADRN CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Br)c2ncccc12 ZINC001458762187 1067134113 /nfs/dbraw/zinc/13/41/13/1067134113.db2.gz RGHMXHMTRSEXDG-UHFFFAOYSA-N 0 0 451.324 4.893 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458762175 1067134178 /nfs/dbraw/zinc/13/41/78/1067134178.db2.gz LORKEJYZQSIUQP-LLVKDONJSA-N 0 0 455.146 4.816 20 0 JJADRN CN(C(=O)c1c(F)cccc1I)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458762751 1067134199 /nfs/dbraw/zinc/13/41/99/1067134199.db2.gz NAUCFSRILOAWLL-YOEHRIQHSA-N 0 0 457.258 4.562 20 0 JJADRN Cc1ccc(C[C@H](CO)NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C ZINC001450902176 1067134763 /nfs/dbraw/zinc/13/47/63/1067134763.db2.gz JDAWZBUVSNICIC-FGZHOGPDSA-N 0 0 452.595 4.642 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(COC(=O)c2cc(I)ccc2F)cc1 ZINC001458763832 1067134798 /nfs/dbraw/zinc/13/47/98/1067134798.db2.gz ALLSALDESYHSKA-UHFFFAOYSA-N 0 0 456.251 4.743 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)cc1 ZINC001458763527 1067134843 /nfs/dbraw/zinc/13/48/43/1067134843.db2.gz PXZSUTDJFQLGHP-OAHLLOKOSA-N 0 0 452.532 4.613 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1 ZINC001450908209 1067135261 /nfs/dbraw/zinc/13/52/61/1067135261.db2.gz JFDSGUJSWHMXPD-GOTSBHOMSA-N 0 0 455.396 4.544 20 0 JJADRN O=C(C=Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC001450910808 1067135441 /nfs/dbraw/zinc/13/54/41/1067135441.db2.gz KRUUNHDPRWSNDM-HSSRVXSRSA-N 0 0 457.361 4.580 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC001458767308 1067135952 /nfs/dbraw/zinc/13/59/52/1067135952.db2.gz NRDKKPXDHLYPDN-UHFFFAOYSA-N 0 0 450.398 4.528 20 0 JJADRN CCCOC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 ZINC001458769682 1067136736 /nfs/dbraw/zinc/13/67/36/1067136736.db2.gz LRQQHWWVSOHZDX-AWEZNQCLSA-N 0 0 458.605 4.768 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)Cn2c3ccccc3nc2SC(F)F)CCCCC1 ZINC001450950496 1067136769 /nfs/dbraw/zinc/13/67/69/1067136769.db2.gz VLAKIGGPHKBPFX-UHFFFAOYSA-N 0 0 453.555 4.902 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC001450947412 1067136856 /nfs/dbraw/zinc/13/68/56/1067136856.db2.gz PZGDMRHNOFOGDD-IBGZPJMESA-N 0 0 452.636 4.965 20 0 JJADRN CCOC(=O)[C@@H]1C[C@H]1CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1 ZINC001458770827 1067137778 /nfs/dbraw/zinc/13/77/78/1067137778.db2.gz NXEAJLJQVIHUBP-ZWKOTPCHSA-N 0 0 472.607 4.596 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)c2ccnc(-c3ccccn3)n2)c1 ZINC001458771776 1067138526 /nfs/dbraw/zinc/13/85/26/1067138526.db2.gz DIMFRVBJSIXDOJ-UHFFFAOYSA-N 0 0 455.312 4.509 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)cc2)nc1C(F)(F)F ZINC001545811255 1067139535 /nfs/dbraw/zinc/13/95/35/1067139535.db2.gz QKLDNKQYKQQPFD-UHFFFAOYSA-N 0 0 450.371 4.599 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545811140 1067139544 /nfs/dbraw/zinc/13/95/44/1067139544.db2.gz NFJMGAUDJFNLQA-HHHXNRCGSA-N 0 0 456.312 4.790 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)c2ccco2)C1 ZINC001546103446 1067139653 /nfs/dbraw/zinc/13/96/53/1067139653.db2.gz KRVZDBHFIAYOCE-SFHVURJKSA-N 0 0 469.561 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C(=O)c3ccccc3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC001451028617 1067140609 /nfs/dbraw/zinc/14/06/09/1067140609.db2.gz KIDSUQLNLFJPOC-HSZRJFAPSA-N 0 0 459.546 4.680 20 0 JJADRN CCn1c(SCC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)nnc1-c1cccc(C)c1 ZINC001458775485 1067140619 /nfs/dbraw/zinc/14/06/19/1067140619.db2.gz KILQFLCXNBJBMM-RTWAWAEBSA-N 0 0 454.571 4.541 20 0 JJADRN CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC ZINC001458775404 1067140767 /nfs/dbraw/zinc/14/07/67/1067140767.db2.gz NVULLXJAZVDXJV-KRWDZBQOSA-N 0 0 451.470 4.999 20 0 JJADRN NC(=O)N[C@@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(Oc2ccccc2)c1 ZINC001451026870 1067140790 /nfs/dbraw/zinc/14/07/90/1067140790.db2.gz BPRPZMVQHHTNRZ-BVYCBKJFSA-N 0 0 465.575 4.676 20 0 JJADRN Cc1ccc(OC(=O)c2cc(Br)sc2Br)c(Br)n1 ZINC001458776142 1067141090 /nfs/dbraw/zinc/14/10/90/1067141090.db2.gz IRPZUYINAFZETE-UHFFFAOYSA-N 0 0 455.953 4.958 20 0 JJADRN COc1ccc(-c2nnc(SCCCCS(C)(=O)=O)n2-c2ccc(Cl)cc2)cc1 ZINC001458776384 1067141130 /nfs/dbraw/zinc/14/11/30/1067141130.db2.gz QYAGXUZSXGMSAS-UHFFFAOYSA-N 0 0 452.001 4.513 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)(C)CC1 ZINC001546027791 1067141213 /nfs/dbraw/zinc/14/12/13/1067141213.db2.gz LOAWYZMXRAQPNN-UHFFFAOYSA-N 0 0 465.436 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CSc2nc3ccccc3o2)[C@@H](c2ccccc2)C1 ZINC001451035441 1067141221 /nfs/dbraw/zinc/14/12/21/1067141221.db2.gz WIDOVXGBZKFXCW-LJQANCHMSA-N 0 0 453.564 4.741 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@H](CC(F)(F)F)c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC001458777396 1067141829 /nfs/dbraw/zinc/14/18/29/1067141829.db2.gz CIICZSCTAIHDDT-MRXNPFEDSA-N 0 0 458.362 4.718 20 0 JJADRN O=C(Oc1ccc(I)c(Br)c1)c1cccc(Cl)c1O ZINC001458778742 1067142284 /nfs/dbraw/zinc/14/22/84/1067142284.db2.gz CEYZURHSHOYVAO-UHFFFAOYSA-N 0 0 453.457 4.632 20 0 JJADRN CO[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545813375 1067142397 /nfs/dbraw/zinc/14/23/97/1067142397.db2.gz GAMYXZXZLXCESN-CLOONOSVSA-N 0 0 450.579 4.529 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC001458779378 1067142408 /nfs/dbraw/zinc/14/24/08/1067142408.db2.gz DJNOAYNNIPDKMG-HOTGVXAUSA-N 0 0 450.398 4.789 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001451045622 1067142650 /nfs/dbraw/zinc/14/26/50/1067142650.db2.gz GXDJLXOVRMBOPN-UHFFFAOYSA-N 0 0 458.599 4.688 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccc(Br)cc1 ZINC001458780306 1067142969 /nfs/dbraw/zinc/14/29/69/1067142969.db2.gz QCOBPWYDOAZQLH-WIYYLYMNSA-N 0 0 458.331 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451047640 1067143252 /nfs/dbraw/zinc/14/32/52/1067143252.db2.gz LNAJMISOWGKWQW-FCHUYYIVSA-N 0 0 454.542 4.698 20 0 JJADRN CCc1ccc(OCc2nnc(S[C@H]3CCCN(C)C3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC001458780564 1067143480 /nfs/dbraw/zinc/14/34/80/1067143480.db2.gz IGJDDVFLXFKBNK-AVRDEDQJSA-N 0 0 450.608 4.742 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001451051816 1067144025 /nfs/dbraw/zinc/14/40/25/1067144025.db2.gz YJEWBJIWVOFIKE-WOJBJXKFSA-N 0 0 479.662 4.662 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSc2ccc(O)cc2)CC[C@H]1c1ccc(F)cc1 ZINC001451051727 1067144034 /nfs/dbraw/zinc/14/40/34/1067144034.db2.gz XWHBUEOCRDMWCT-LEWJYISDSA-N 0 0 460.571 4.533 20 0 JJADRN Cc1cccc(-n2c3ccccc3nc2SCCN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC001458781666 1067144138 /nfs/dbraw/zinc/14/41/38/1067144138.db2.gz NZLSFFWSEUKHNF-UHFFFAOYSA-N 0 0 451.617 4.888 20 0 JJADRN O=C(NCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)OCC(F)(F)F ZINC001458781158 1067144177 /nfs/dbraw/zinc/14/41/77/1067144177.db2.gz QNHIQCCVBZRERF-UHFFFAOYSA-N 0 0 458.412 4.593 20 0 JJADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC001451055557 1067144691 /nfs/dbraw/zinc/14/46/91/1067144691.db2.gz UYJFMIPURCASTQ-QHCPKHFHSA-N 0 0 456.533 4.779 20 0 JJADRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001458781961 1067144738 /nfs/dbraw/zinc/14/47/38/1067144738.db2.gz STRJJHLRGZVQJD-FUPPJEDESA-N 0 0 451.460 4.830 20 0 JJADRN COC(=O)c1ccc(OCC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)cc1 ZINC001458782620 1067144758 /nfs/dbraw/zinc/14/47/58/1067144758.db2.gz PKPOWPISCRUVRN-UHFFFAOYSA-N 0 0 455.514 4.960 20 0 JJADRN Cc1cc(Cl)cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1N ZINC001451065908 1067144820 /nfs/dbraw/zinc/14/48/20/1067144820.db2.gz RKURUHSKKASPTR-AZUAARDMSA-N 0 0 461.965 4.893 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)[C@@H](O)C(F)(F)F ZINC001451076974 1067145392 /nfs/dbraw/zinc/14/53/92/1067145392.db2.gz BHODMXKJMDEZPB-ADLMAVQZSA-N 0 0 453.258 4.706 20 0 JJADRN CCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 ZINC001545816403 1067145933 /nfs/dbraw/zinc/14/59/33/1067145933.db2.gz JINMPXJRMHRNCF-UHFFFAOYSA-N 0 0 452.532 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC001451107804 1067146836 /nfs/dbraw/zinc/14/68/36/1067146836.db2.gz BMKJPJACIRNCRD-ACRUOGEOSA-N 0 0 457.640 4.577 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451129643 1067148067 /nfs/dbraw/zinc/14/80/67/1067148067.db2.gz HJQBFVJZKVZSQV-QLFBSQMISA-N 0 0 455.368 4.662 20 0 JJADRN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2scnc2Cl)cc1OC ZINC001458790120 1067148072 /nfs/dbraw/zinc/14/80/72/1067148072.db2.gz BLZCFWUUCWLVNT-UHFFFAOYSA-N 0 0 459.980 4.864 20 0 JJADRN COC(=O)C1=C(COc2cc(Cl)c(Cl)cc2Cl)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC001458793180 1067148759 /nfs/dbraw/zinc/14/87/59/1067148759.db2.gz LYGOGHGPHQWYIS-GOSISDBHSA-N 0 0 455.725 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C[C@H]2C1 ZINC001451131745 1067148811 /nfs/dbraw/zinc/14/88/11/1067148811.db2.gz IMGIUCCBPVHPPD-BXWFABGCSA-N 0 0 452.517 4.889 20 0 JJADRN C[C@@H]1CCCC[C@H]1OCCNC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC001458795529 1067149359 /nfs/dbraw/zinc/14/93/59/1067149359.db2.gz WFEWFAGOYGEWIU-IEBWSBKVSA-N 0 0 456.637 4.799 20 0 JJADRN O=C(c1ccc(Cl)cc1)c1ccc(OCc2nnnn2-c2ccc(OC(F)F)cc2)cc1 ZINC001458795934 1067149387 /nfs/dbraw/zinc/14/93/87/1067149387.db2.gz SFSIDFGDNUGFFH-UHFFFAOYSA-N 0 0 456.836 4.727 20 0 JJADRN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ncc(Cl)s2)cc1OC ZINC001458793483 1067149401 /nfs/dbraw/zinc/14/94/01/1067149401.db2.gz RIKRJAKZXUQZCA-UHFFFAOYSA-N 0 0 459.980 4.864 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC001458806718 1067150496 /nfs/dbraw/zinc/15/04/96/1067150496.db2.gz COILCULZZYUHKD-QFIPXVFZSA-N 0 0 456.011 4.976 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)CC(=O)N2C)cc1 ZINC001458806713 1067150541 /nfs/dbraw/zinc/15/05/41/1067150541.db2.gz BZJBPVCSFNPULY-XXBNENTESA-N 0 0 459.373 4.837 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC001451151919 1067150652 /nfs/dbraw/zinc/15/06/52/1067150652.db2.gz RPUPEZHLBAMPQV-VQTJNVASSA-N 0 0 457.574 4.836 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)nc2)c1 ZINC001451155476 1067151317 /nfs/dbraw/zinc/15/13/17/1067151317.db2.gz GRHUNFYDEVPDCV-FQEVSTJZSA-N 0 0 450.457 4.704 20 0 JJADRN O=C([C@@H](NCC(F)(F)F)c1cc(Br)cs1)N1Cc2ccc(Cl)cc2C1 ZINC001451166462 1067151390 /nfs/dbraw/zinc/15/13/90/1067151390.db2.gz MBWJBALVDKLGQF-AWEZNQCLSA-N 0 0 453.711 4.899 20 0 JJADRN O=C(CSc1ccccc1Br)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451178927 1067151781 /nfs/dbraw/zinc/15/17/81/1067151781.db2.gz MPBFTKUTRWJPMS-OAHLLOKOSA-N 0 0 452.336 4.749 20 0 JJADRN Cc1c(C(=O)Nc2ncccc2OCc2ccccc2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001451176990 1067151879 /nfs/dbraw/zinc/15/18/79/1067151879.db2.gz SPYSGBISYVIKOK-UHFFFAOYSA-N 0 0 450.539 4.585 20 0 JJADRN O=C([C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N(CCCCc1ccccc1)c1ccccc1 ZINC001451194775 1067153212 /nfs/dbraw/zinc/15/32/12/1067153212.db2.gz UIBCUBPPOVIOJW-NOZRDPDXSA-N 0 0 457.492 4.854 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc12 ZINC001458817030 1067153775 /nfs/dbraw/zinc/15/37/75/1067153775.db2.gz UIIYNFNAKMTCPA-CWFSZBLJSA-N 0 0 450.421 4.541 20 0 JJADRN COc1cccc([C@H](OC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c2ccncc2)c1 ZINC001458817384 1067154300 /nfs/dbraw/zinc/15/43/00/1067154300.db2.gz OGISSARADQIRBT-JOCHJYFZSA-N 0 0 454.910 4.643 20 0 JJADRN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC001458818905 1067154924 /nfs/dbraw/zinc/15/49/24/1067154924.db2.gz OOQLCFWFHKPKTC-CQSZACIVSA-N 0 0 455.049 4.954 20 0 JJADRN C[C@H](CN(C)C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)OC(C)(C)C ZINC001451246762 1067155681 /nfs/dbraw/zinc/15/56/81/1067155681.db2.gz ADEIYEFDRABKSL-CYBMUJFWSA-N 0 0 453.402 4.551 20 0 JJADRN COC(=O)[C@@H](Sc1nnc(-c2cccc(OC)c2)n1Cc1ccco1)c1ccc(F)cc1 ZINC001458821731 1067156110 /nfs/dbraw/zinc/15/61/10/1067156110.db2.gz ZDSCTPPERKZICQ-FQEVSTJZSA-N 0 0 453.495 4.741 20 0 JJADRN O=C(OCc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001458821052 1067156228 /nfs/dbraw/zinc/15/62/28/1067156228.db2.gz YKBHBYHVTUNOCG-INIZCTEOSA-N 0 0 458.486 4.790 20 0 JJADRN CCC(CC)[C@H](Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819928 1067156520 /nfs/dbraw/zinc/15/65/20/1067156520.db2.gz OWJTVKRPSXSHMH-VWLOTQADSA-N 0 0 495.712 4.812 20 0 JJADRN CC(C)[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC001458822583 1067156597 /nfs/dbraw/zinc/15/65/97/1067156597.db2.gz CTIYEABTJMXMHU-INIZCTEOSA-N 0 0 455.649 4.638 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001546029825 1067157111 /nfs/dbraw/zinc/15/71/11/1067157111.db2.gz RWYLNEFXVNMIDD-LJQANCHMSA-N 0 0 469.655 4.962 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)nn1-c1c(Cl)cccc1Cl ZINC001451270926 1067157117 /nfs/dbraw/zinc/15/71/17/1067157117.db2.gz VWTILVDRXXFOLE-GDLZYMKVSA-N 0 0 452.367 4.985 20 0 JJADRN CCc1cccc(CC)c1-n1c(SCCC(=O)Nc2cccnc2)nnc1-c1cccnc1 ZINC001458823854 1067157126 /nfs/dbraw/zinc/15/71/26/1067157126.db2.gz KDLUXEFOEPBJBG-UHFFFAOYSA-N 0 0 458.591 4.970 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001546029770 1067157123 /nfs/dbraw/zinc/15/71/23/1067157123.db2.gz QDEMZXXHDSHKFB-INIZCTEOSA-N 0 0 480.510 4.692 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 ZINC001458824683 1067157916 /nfs/dbraw/zinc/15/79/16/1067157916.db2.gz XZPXDTWTNDZJMU-KRWDZBQOSA-N 0 0 458.427 4.984 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCCOC1CCCCCC1)n(Cc1ccco1)c2=O ZINC001458824817 1067157947 /nfs/dbraw/zinc/15/79/47/1067157947.db2.gz OGJWMSMAAHCXCX-UHFFFAOYSA-N 0 0 456.564 4.656 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001451298385 1067157885 /nfs/dbraw/zinc/15/78/85/1067157885.db2.gz HQUJCUKSOZWJOM-HTAPYJJXSA-N 0 0 450.595 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CC2(C)C)(c2ccc(Br)cc2)CC1 ZINC001451290051 1067157995 /nfs/dbraw/zinc/15/79/95/1067157995.db2.gz HIBNQDTUBAQRLH-KRWDZBQOSA-N 0 0 451.405 4.633 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458824695 1067158010 /nfs/dbraw/zinc/15/80/10/1067158010.db2.gz XZYNFERLHBHSFY-QUCCMNQESA-N 0 0 454.395 4.972 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458824692 1067158017 /nfs/dbraw/zinc/15/80/17/1067158017.db2.gz XZYNFERLHBHSFY-ICSRJNTNSA-N 0 0 454.395 4.972 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)c2)c1 ZINC001451290215 1067158074 /nfs/dbraw/zinc/15/80/74/1067158074.db2.gz CHEFBUHNZURUBB-FCHUYYIVSA-N 0 0 458.624 4.816 20 0 JJADRN Cc1c(NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cnc(Cl)c1Br ZINC001458825779 1067159197 /nfs/dbraw/zinc/15/91/97/1067159197.db2.gz RQUWXFFKVXHLII-UHFFFAOYSA-N 0 0 455.736 4.779 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cnc(Cl)c(Br)c3C)CC2=O)c(C)c1 ZINC001458826348 1067159226 /nfs/dbraw/zinc/15/92/26/1067159226.db2.gz VOOVLYANPBLDJZ-CQSZACIVSA-N 0 0 450.764 4.723 20 0 JJADRN Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)NCCc3ccccc3)nc3ccccc3c2=O)c1 ZINC001458825633 1067159247 /nfs/dbraw/zinc/15/92/47/1067159247.db2.gz YXFIVISAXGSYNL-FQEVSTJZSA-N 0 0 457.599 4.842 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 ZINC001451313618 1067159475 /nfs/dbraw/zinc/15/94/75/1067159475.db2.gz SYDQEJZECHEVPB-XOBRGWDASA-N 0 0 450.938 4.801 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)c3nc4ccccc4o3)o2)c1 ZINC001458828096 1067160383 /nfs/dbraw/zinc/16/03/83/1067160383.db2.gz ZKQWQOLCZQIGGW-AWEZNQCLSA-N 0 0 458.565 4.762 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545821419 1067161188 /nfs/dbraw/zinc/16/11/88/1067161188.db2.gz CLGCPWPAXIGRFM-OXQOHEQNSA-N 0 0 460.623 4.691 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545821418 1067161281 /nfs/dbraw/zinc/16/12/81/1067161281.db2.gz CLGCPWPAXIGRFM-OXJNMPFZSA-N 0 0 460.623 4.691 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451375562 1067161298 /nfs/dbraw/zinc/16/12/98/1067161298.db2.gz FUWMETXKJZJQEM-RBUKOAKNSA-N 0 0 461.311 4.909 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1SCc1ccnc(F)c1 ZINC001458830692 1067161423 /nfs/dbraw/zinc/16/14/23/1067161423.db2.gz BQORRYHZTMZHIK-UHFFFAOYSA-N 0 0 450.605 4.693 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccc(OC)cc3)CC2)on1 ZINC001545821587 1067161548 /nfs/dbraw/zinc/16/15/48/1067161548.db2.gz HASKHTBPWNPOOU-UHFFFAOYSA-N 0 0 494.640 4.749 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)[C@@H]1CCCOC1 ZINC001458833449 1067161753 /nfs/dbraw/zinc/16/17/53/1067161753.db2.gz BRAUXKFLLMKSGP-FOIQADDNSA-N 0 0 459.589 4.875 20 0 JJADRN CC(C)c1ccc(-n2ccnc2S[C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC001458832342 1067161843 /nfs/dbraw/zinc/16/18/43/1067161843.db2.gz CMGHIVJCWSVBBH-WIYYLYMNSA-N 0 0 451.592 4.775 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(Cl)cccc3C2)on1 ZINC001545821970 1067162448 /nfs/dbraw/zinc/16/24/48/1067162448.db2.gz PQWWKEBNVWEMBP-UHFFFAOYSA-N 0 0 471.005 4.572 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)on1 ZINC001545821830 1067162503 /nfs/dbraw/zinc/16/25/03/1067162503.db2.gz MYLOMVZYCGYMHT-UHFFFAOYSA-N 0 0 495.534 4.780 20 0 JJADRN CCn1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1-c1ccccc1 ZINC001451387579 1067162930 /nfs/dbraw/zinc/16/29/30/1067162930.db2.gz GWGCRIBVUWEYKO-XZOQPEGZSA-N 0 0 478.568 4.842 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451387891 1067163030 /nfs/dbraw/zinc/16/30/30/1067163030.db2.gz INSIVFOELJUERK-YMPRXVIZSA-N 0 0 481.568 4.553 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3nc(C)cs3)C2)on1 ZINC001545822338 1067164217 /nfs/dbraw/zinc/16/42/17/1067164217.db2.gz ZUTLOXDDFNRYBC-GOSISDBHSA-N 0 0 485.658 4.505 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N2C[C@@H](OC)C(C)(C)C2)on1 ZINC001545823261 1067164329 /nfs/dbraw/zinc/16/43/29/1067164329.db2.gz GNIFIEWMXZVVKZ-JOCHJYFZSA-N 0 0 453.587 4.755 20 0 JJADRN COC[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001451401347 1067165000 /nfs/dbraw/zinc/16/50/00/1067165000.db2.gz WYXGQKSBTFARFU-HSZRJFAPSA-N 0 0 458.624 4.671 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](C(=O)NC)C2)on1 ZINC001545823087 1067164937 /nfs/dbraw/zinc/16/49/37/1067164937.db2.gz AGIZGXMKQWPLKV-QGZVFWFLSA-N 0 0 471.005 4.501 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)OC)C2)on1 ZINC001545823104 1067164964 /nfs/dbraw/zinc/16/49/64/1067164964.db2.gz ARIORGICLZBUDS-KRWDZBQOSA-N 0 0 457.962 4.538 20 0 JJADRN Cc1ccc(-n2c(S[C@@H](C)C(=O)N(C)C(C)C)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC001458837772 1067165519 /nfs/dbraw/zinc/16/55/19/1067165519.db2.gz SDDVSARZQJCCJV-INIZCTEOSA-N 0 0 455.649 4.900 20 0 JJADRN CCCn1c(=O)c2ccccc2nc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001458837089 1067165535 /nfs/dbraw/zinc/16/55/35/1067165535.db2.gz SKXXNYFGOZLBOB-UHFFFAOYSA-N 0 0 453.583 4.666 20 0 JJADRN CCOCCCn1c(SCC(=O)C(C)(C)CC)nc2ccc(Br)cc2c1=O ZINC001458837052 1067165612 /nfs/dbraw/zinc/16/56/12/1067165612.db2.gz XKOXFVPEEVDWGP-UHFFFAOYSA-N 0 0 455.418 4.683 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC001458837094 1067165626 /nfs/dbraw/zinc/16/56/26/1067165626.db2.gz JLXVNRAYVCKFCW-KZULUSFZSA-N 0 0 459.295 4.891 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001451406573 1067165584 /nfs/dbraw/zinc/16/55/84/1067165584.db2.gz OSLKTNJXNDNUNZ-WTIAFYNJSA-N 0 0 450.579 4.513 20 0 JJADRN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC001458838056 1067166201 /nfs/dbraw/zinc/16/62/01/1067166201.db2.gz KKKQZPSJKNAYPV-FQEVSTJZSA-N 0 0 459.855 4.734 20 0 JJADRN COc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)c(OC)c1 ZINC001458838616 1067166220 /nfs/dbraw/zinc/16/62/20/1067166220.db2.gz RQUNLDIGWQHSMX-UHFFFAOYSA-N 0 0 450.560 4.545 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1c1ccccc1F ZINC001451408761 1067166333 /nfs/dbraw/zinc/16/63/33/1067166333.db2.gz AHUDZPVSDWHHIM-OXJNMPFZSA-N 0 0 450.913 4.680 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)n1 ZINC001451407723 1067166390 /nfs/dbraw/zinc/16/63/90/1067166390.db2.gz UDYLRKLVJRGPIG-RBUKOAKNSA-N 0 0 459.637 4.825 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3OC)nnc2N(C)Cc2cscn2)on1 ZINC001545823340 1067166327 /nfs/dbraw/zinc/16/63/27/1067166327.db2.gz JDUATKJCTNXLON-UHFFFAOYSA-N 0 0 452.584 4.987 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](C)(C(=O)NC)C2)on1 ZINC001545823327 1067166350 /nfs/dbraw/zinc/16/63/50/1067166350.db2.gz ITHSYSBRANTTGQ-XMMPIXPASA-N 0 0 471.005 4.501 20 0 JJADRN CN(C)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 ZINC001458838199 1067166302 /nfs/dbraw/zinc/16/63/02/1067166302.db2.gz KXIHATOPIRJKCB-UHFFFAOYSA-N 0 0 451.983 4.930 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451408324 1067166417 /nfs/dbraw/zinc/16/64/17/1067166417.db2.gz ZNYACESGZRTBJC-LEWJYISDSA-N 0 0 465.525 4.521 20 0 JJADRN CCCCc1ccc(-n2c(S[C@@H](C)C(=O)CC(=O)OCC)nc3ccccc3c2=O)cc1 ZINC001458839267 1067166822 /nfs/dbraw/zinc/16/68/22/1067166822.db2.gz ZYEDMKMSJALBJO-KRWDZBQOSA-N 0 0 452.576 4.731 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)on1 ZINC001545823409 1067166750 /nfs/dbraw/zinc/16/67/50/1067166750.db2.gz LXEFUGCXLZLHRF-OAQYLSRUSA-N 0 0 455.525 4.625 20 0 JJADRN COc1cc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)ccc1OCCC(C)C ZINC001451410059 1067167434 /nfs/dbraw/zinc/16/74/34/1067167434.db2.gz FIFXSGKFVXTCGC-LJQANCHMSA-N 0 0 450.373 4.688 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C)C2)on1 ZINC001545823484 1067167513 /nfs/dbraw/zinc/16/75/13/1067167513.db2.gz NYMUYXANWRKYLY-ZDUSSCGKSA-N 0 0 480.432 4.934 20 0 JJADRN CC(C)COc1ccc(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451411952 1067168095 /nfs/dbraw/zinc/16/80/95/1067168095.db2.gz NXIVYDCVBAEBAE-LADGPHEKSA-N 0 0 470.585 4.922 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)/C=C/c2ccnc(Cl)c2)CN(C)CC3)cc1 ZINC001458841521 1067168097 /nfs/dbraw/zinc/16/80/97/1067168097.db2.gz ZIEKVZLLKXFCCF-VMPITWQZSA-N 0 0 451.979 4.976 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)on1 ZINC001545823738 1067168228 /nfs/dbraw/zinc/16/82/28/1067168228.db2.gz WZNHDXPDTUWMDJ-UHFFFAOYSA-N 0 0 453.978 4.908 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001451412373 1067168498 /nfs/dbraw/zinc/16/84/98/1067168498.db2.gz QXNAMVDEKSHDSG-LADGPHEKSA-N 0 0 478.568 4.761 20 0 JJADRN CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458842672 1067168673 /nfs/dbraw/zinc/16/86/73/1067168673.db2.gz YQDVHMOXFVENSA-UHFFFAOYSA-N 0 0 454.405 4.967 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@H](O)c3cccc(Br)c3)c2c1 ZINC001451413012 1067168731 /nfs/dbraw/zinc/16/87/31/1067168731.db2.gz MNINYNAVXYWCRO-QFIPXVFZSA-N 0 0 455.352 4.689 20 0 JJADRN C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)C1 ZINC001458845231 1067169172 /nfs/dbraw/zinc/16/91/72/1067169172.db2.gz DDGGQRKBNDJBSG-KRWDZBQOSA-N 0 0 451.032 4.614 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)on1 ZINC001545824546 1067169324 /nfs/dbraw/zinc/16/93/24/1067169324.db2.gz BMJLNOFFRRGVRD-UHFFFAOYSA-N 0 0 470.662 4.645 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC=C(Br)C2)on1 ZINC001545824577 1067169330 /nfs/dbraw/zinc/16/93/30/1067169330.db2.gz CHCINURMFOTGQV-IBGZPJMESA-N 0 0 464.408 4.949 20 0 JJADRN CCN(Cc1c(CO)cnc(C)c1O)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001451413386 1067169282 /nfs/dbraw/zinc/16/92/82/1067169282.db2.gz TXNSHLHGPCLXDW-UHFFFAOYSA-N 0 0 454.577 4.665 20 0 JJADRN C[C@H](c1nnc(SCc2cccc(S(C)(=O)=O)c2)n1-c1ccccc1)N1CCCCC1 ZINC001458844091 1067169333 /nfs/dbraw/zinc/16/93/33/1067169333.db2.gz JNMISWUVZDKIAE-GOSISDBHSA-N 0 0 456.637 4.510 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)on1 ZINC001545824744 1067169812 /nfs/dbraw/zinc/16/98/12/1067169812.db2.gz IDTYNMBHENICMW-LJQANCHMSA-N 0 0 472.678 4.795 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)on1 ZINC001545824743 1067169861 /nfs/dbraw/zinc/16/98/61/1067169861.db2.gz IDTYNMBHENICMW-IBGZPJMESA-N 0 0 472.678 4.795 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccccc3C)nnc2N(C)CC2COC(C)(C)OC2)on1 ZINC001545824976 1067170474 /nfs/dbraw/zinc/17/04/74/1067170474.db2.gz OXKGPFBCTOINCR-UHFFFAOYSA-N 0 0 481.641 4.953 20 0 JJADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCCc1ccccc1Oc1ccc(C)cc1 ZINC001451429395 1067170638 /nfs/dbraw/zinc/17/06/38/1067170638.db2.gz BXMYGWMAGMQFAH-ULJHMMPZSA-N 0 0 457.509 4.578 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458846692 1067170614 /nfs/dbraw/zinc/17/06/14/1067170614.db2.gz CVMSGIMDRWRYPW-INIZCTEOSA-N 0 0 457.452 4.833 20 0 JJADRN CN(C(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCN(CC(F)(F)F)CC1 ZINC001451426568 1067170708 /nfs/dbraw/zinc/17/07/08/1067170708.db2.gz QVKVQJNGFHEXTN-UHFFFAOYSA-N 0 0 451.436 4.928 20 0 JJADRN COc1ccccc1-n1cnnc1SC[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001458847576 1067171293 /nfs/dbraw/zinc/17/12/93/1067171293.db2.gz SLQFFXFUGQFGHK-QGZVFWFLSA-N 0 0 458.559 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)C1 ZINC001451430921 1067171316 /nfs/dbraw/zinc/17/13/16/1067171316.db2.gz KPYNKMYVPKOQMN-GMAHTHKFSA-N 0 0 452.570 4.604 20 0 JJADRN CCn1cc(C(=O)N2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c2ccccc21 ZINC001451432577 1067171361 /nfs/dbraw/zinc/17/13/61/1067171361.db2.gz RNLYQMGXRLPMOK-AUSIDOKSSA-N 0 0 455.599 4.586 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)cc1 ZINC001451433762 1067171365 /nfs/dbraw/zinc/17/13/65/1067171365.db2.gz JJSLDNJQQCLSQA-UHFFFAOYSA-N 0 0 450.539 4.840 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)on1 ZINC001545825232 1067171641 /nfs/dbraw/zinc/17/16/41/1067171641.db2.gz WLTOAVVKCBRLRT-SFHVURJKSA-N 0 0 453.635 4.609 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)on1 ZINC001545825220 1067171678 /nfs/dbraw/zinc/17/16/78/1067171678.db2.gz WGQJTLJLLVACNZ-LJQANCHMSA-N 0 0 492.546 4.752 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)C1 ZINC001451435770 1067171955 /nfs/dbraw/zinc/17/19/55/1067171955.db2.gz LJLWMTWBHVSRCQ-MBDNFAEBSA-N 0 0 463.018 4.754 20 0 JJADRN CCC(O)(CC)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CCc1cccs1 ZINC001546031282 1067172524 /nfs/dbraw/zinc/17/25/24/1067172524.db2.gz BHPSZYLUHKXCAK-UHFFFAOYSA-N 0 0 494.665 4.527 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1(C)C ZINC001451453931 1067172601 /nfs/dbraw/zinc/17/26/01/1067172601.db2.gz DDNWLIKXTHNWCZ-HXUWFJFHSA-N 0 0 452.555 4.848 20 0 JJADRN Cc1cc(COCC(=O)Nc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)no1 ZINC001458851246 1067172580 /nfs/dbraw/zinc/17/25/80/1067172580.db2.gz RLEAVRMTFOJYKW-UHFFFAOYSA-N 0 0 454.321 4.556 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CC[C@@H](Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1=O ZINC001458852653 1067173103 /nfs/dbraw/zinc/17/31/03/1067173103.db2.gz ODQLCXGFRATXGS-MEBBXXQBSA-N 0 0 458.868 4.995 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2oc(SCc3ccc(OCc4ccccc4)cc3)nc2c1 ZINC001458852103 1067173179 /nfs/dbraw/zinc/17/31/79/1067173179.db2.gz LLXQYESSJPBHGD-UHFFFAOYSA-N 0 0 454.573 4.949 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001451472842 1067173955 /nfs/dbraw/zinc/17/39/55/1067173955.db2.gz NUQBMEXMOUJMAI-QHCPKHFHSA-N 0 0 454.364 4.746 20 0 JJADRN CC[C@H](C)c1ccc(-n2c3nnc(SC[C@](C)(O)C(F)F)n3c3ccccc3c2=O)cc1 ZINC001458854666 1067174182 /nfs/dbraw/zinc/17/41/82/1067174182.db2.gz NGDQIIMOGGHSMC-PSLXWICFSA-N 0 0 458.534 4.655 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545826416 1067174458 /nfs/dbraw/zinc/17/44/58/1067174458.db2.gz MIONTEDLZPYLJH-INIZCTEOSA-N 0 0 471.552 4.997 20 0 JJADRN CSc1cc(NC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)ccc1Cl ZINC001451483621 1067174778 /nfs/dbraw/zinc/17/47/78/1067174778.db2.gz IOBDEBBXYAQPGG-QFIPXVFZSA-N 0 0 455.020 4.933 20 0 JJADRN CC[C@@H](Sc1ncc(-c2ccc3c(c2)OCCO3)n1CC)C(=O)Nc1ccc(OC)cc1 ZINC001458856284 1067175016 /nfs/dbraw/zinc/17/50/16/1067175016.db2.gz MOAQNFBGJAHTGY-JOCHJYFZSA-N 0 0 453.564 4.859 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1Cc1nc(C)cs1 ZINC001545826656 1067175084 /nfs/dbraw/zinc/17/50/84/1067175084.db2.gz RHVCMTHWRNDACV-MRXNPFEDSA-N 0 0 466.611 4.953 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3C[C@H](C)C[C@H]3CC)nnc2[C@]2(OC(C)C)CCOC2)on1 ZINC001545826578 1067175108 /nfs/dbraw/zinc/17/51/08/1067175108.db2.gz QJINIMXTENPMQQ-BSWQBHCVSA-N 0 0 459.635 4.883 20 0 JJADRN CSc1cc(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1Cl ZINC001451492398 1067175328 /nfs/dbraw/zinc/17/53/28/1067175328.db2.gz ZTNVKWVAQIGTKV-UHFFFAOYSA-N 0 0 453.800 4.676 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1OCC ZINC001458858931 1067175544 /nfs/dbraw/zinc/17/55/44/1067175544.db2.gz WGEXJBIVBNURTL-GXTWGEPZSA-N 0 0 452.311 4.978 20 0 JJADRN CNC(=O)[C@@H](Cc1ccccc1)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC001458858938 1067175593 /nfs/dbraw/zinc/17/55/93/1067175593.db2.gz XPLKTEIXFGVCJH-YTMAHBJJSA-N 0 0 459.546 4.660 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001545826694 1067175762 /nfs/dbraw/zinc/17/57/62/1067175762.db2.gz RVERXXRDMYATIN-HNNXBMFYSA-N 0 0 478.519 4.643 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)c2ccccc12 ZINC001451519835 1067176096 /nfs/dbraw/zinc/17/60/96/1067176096.db2.gz CJWRIYWEOCHTEM-YGOYIFOWSA-N 0 0 452.595 4.959 20 0 JJADRN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(C(F)(F)F)nc3Cl)C2=O)cc1 ZINC001458859177 1067176150 /nfs/dbraw/zinc/17/61/50/1067176150.db2.gz OGMWHVNKPLLTHR-HXUWFJFHSA-N 0 0 453.848 4.527 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1N ZINC001451526390 1067176654 /nfs/dbraw/zinc/17/66/54/1067176654.db2.gz HOEVXFYUUCWIMM-UHFFFAOYSA-N 0 0 453.749 4.676 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC001451525538 1067176765 /nfs/dbraw/zinc/17/67/65/1067176765.db2.gz RVUGPCPBWOLEOT-IBGZPJMESA-N 0 0 452.979 4.973 20 0 JJADRN COC(=O)c1cccc([C@H](Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(=O)OC)c1 ZINC001458862082 1067176762 /nfs/dbraw/zinc/17/67/62/1067176762.db2.gz LBDXTXSZICVWJS-NRFANRHFSA-N 0 0 459.527 4.727 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1Cc1cccc2c1OCCCO2 ZINC001545826946 1067176839 /nfs/dbraw/zinc/17/68/39/1067176839.db2.gz XOMDRCPUGDKJGM-QGZVFWFLSA-N 0 0 483.638 4.665 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C)=C(Br)C2)on1 ZINC001545826863 1067176862 /nfs/dbraw/zinc/17/68/62/1067176862.db2.gz VPTMOQSWEQNBDU-LJQANCHMSA-N 0 0 464.408 4.949 20 0 JJADRN Cc1cccc(CN(C)C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC001451532278 1067177178 /nfs/dbraw/zinc/17/71/78/1067177178.db2.gz SSHWCZQMBVLGPS-UHFFFAOYSA-N 0 0 453.205 4.802 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001458863153 1067177310 /nfs/dbraw/zinc/17/73/10/1067177310.db2.gz LBAQGSCHHDDOCT-QGZVFWFLSA-N 0 0 457.151 4.990 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001458863151 1067177332 /nfs/dbraw/zinc/17/73/32/1067177332.db2.gz LBAQGSCHHDDOCT-KRWDZBQOSA-N 0 0 457.151 4.990 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001545826989 1067177266 /nfs/dbraw/zinc/17/72/66/1067177266.db2.gz YMKRVXFUXRPAJA-KSZLIROESA-N 0 0 477.600 4.877 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1(C)C ZINC001451537263 1067177383 /nfs/dbraw/zinc/17/73/83/1067177383.db2.gz KVOOCGKLCPBOLL-UHFFFAOYSA-N 0 0 452.599 4.748 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC ZINC001458864736 1067177748 /nfs/dbraw/zinc/17/77/48/1067177748.db2.gz NNYJBKVXODYJMK-UHFFFAOYSA-N 0 0 455.357 4.888 20 0 JJADRN CN(C(=O)Cc1nnc(-c2ccccc2)n1C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458863881 1067177790 /nfs/dbraw/zinc/17/77/90/1067177790.db2.gz LCSDDKPYMPVYPW-GOSISDBHSA-N 0 0 456.390 4.805 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)on1 ZINC001545827054 1067177765 /nfs/dbraw/zinc/17/77/65/1067177765.db2.gz ZGIPHKRHTSZVEO-KRWDZBQOSA-N 0 0 474.650 4.867 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCN(c4c(F)cccc4OC)CC3)nnc2C(C)(C)C)on1 ZINC001545827072 1067177840 /nfs/dbraw/zinc/17/78/40/1067177840.db2.gz ZQRLALWIIJUTIE-UHFFFAOYSA-N 0 0 484.620 4.990 20 0 JJADRN O=C(OCc1cc(Cl)cc2c1OCC2)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001458863888 1067177913 /nfs/dbraw/zinc/17/79/13/1067177913.db2.gz LCTFRXDZSIDQGH-LJQANCHMSA-N 0 0 450.760 4.918 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC001451570126 1067178316 /nfs/dbraw/zinc/17/83/16/1067178316.db2.gz ANLAGWXEBKVAEK-DOTOQJQBSA-N 0 0 451.405 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1(C)C ZINC001451558577 1067178369 /nfs/dbraw/zinc/17/83/69/1067178369.db2.gz WZOLHRZVZYCJOK-UHFFFAOYSA-N 0 0 452.527 4.636 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001545828395 1067179087 /nfs/dbraw/zinc/17/90/87/1067179087.db2.gz SRPSIGIYCHQDFE-GOSISDBHSA-N 0 0 466.399 4.659 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001545828594 1067179110 /nfs/dbraw/zinc/17/91/10/1067179110.db2.gz ZIFQCSPHZXTTPJ-UHFFFAOYSA-N 0 0 496.656 4.840 20 0 JJADRN CC(C)(C)c1cccc(OCCCN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001458870979 1067180360 /nfs/dbraw/zinc/18/03/60/1067180360.db2.gz DNTUNYSYLRGXQQ-QHCPKHFHSA-N 0 0 459.384 4.983 20 0 JJADRN CCOC(=O)c1ncc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)s1 ZINC001458869970 1067180384 /nfs/dbraw/zinc/18/03/84/1067180384.db2.gz NHSSPAKTCFKBNP-UHFFFAOYSA-N 0 0 455.536 4.759 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001458870804 1067180407 /nfs/dbraw/zinc/18/04/07/1067180407.db2.gz CKPADIBQOCKFLD-MRXNPFEDSA-N 0 0 450.543 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001545829731 1067180509 /nfs/dbraw/zinc/18/05/09/1067180509.db2.gz FFKXTROVZCPCHT-XMSQKQJNSA-N 0 0 495.647 4.893 20 0 JJADRN CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001451624969 1067180947 /nfs/dbraw/zinc/18/09/47/1067180947.db2.gz XLEXCLVVDYQZAP-UHFFFAOYSA-N 0 0 456.340 4.508 20 0 JJADRN COc1cc(OC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc(OC)c1OC ZINC001458873472 1067181627 /nfs/dbraw/zinc/18/16/27/1067181627.db2.gz ITOLBOQAKODGHR-UHFFFAOYSA-N 0 0 450.422 4.788 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C ZINC001458872874 1067181662 /nfs/dbraw/zinc/18/16/62/1067181662.db2.gz CGBRVGQCFYGHFR-MRXNPFEDSA-N 0 0 453.404 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001545830340 1067181681 /nfs/dbraw/zinc/18/16/81/1067181681.db2.gz RWNJOIYHDXFROP-IQOKHDRSSA-N 0 0 495.590 4.662 20 0 JJADRN C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)C1CC1 ZINC001451644444 1067181684 /nfs/dbraw/zinc/18/16/84/1067181684.db2.gz XAJRXRCHUUVNMS-ZDUSSCGKSA-N 0 0 450.461 4.574 20 0 JJADRN CCCc1c(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)nnn1-c1cccc(C(C)C)c1 ZINC001458875533 1067182307 /nfs/dbraw/zinc/18/23/07/1067182307.db2.gz NBJZARDDQAYFRP-UHFFFAOYSA-N 0 0 452.628 4.819 20 0 JJADRN COC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)C1 ZINC001451647790 1067182516 /nfs/dbraw/zinc/18/25/16/1067182516.db2.gz GIIIHGTVUKSOQG-HSZRJFAPSA-N 0 0 455.605 4.875 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC001458875777 1067183073 /nfs/dbraw/zinc/18/30/73/1067183073.db2.gz JZVOCKAGGFPADV-INIZCTEOSA-N 0 0 454.411 4.930 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C1 ZINC001451650447 1067183166 /nfs/dbraw/zinc/18/31/66/1067183166.db2.gz YCVISOIPGIHLLJ-SFHVURJKSA-N 0 0 458.599 4.958 20 0 JJADRN COc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1Br ZINC001458875833 1067183167 /nfs/dbraw/zinc/18/31/67/1067183167.db2.gz LCUJVXJMLXHXBK-GFCCVEGCSA-N 0 0 457.168 4.905 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001545833799 1067183513 /nfs/dbraw/zinc/18/35/13/1067183513.db2.gz LADZPKLHYNFPRB-UKRRQHHQSA-N 0 0 486.455 4.795 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)CC1=O ZINC001451657219 1067183643 /nfs/dbraw/zinc/18/36/43/1067183643.db2.gz WMVTZUWLAHBDJQ-HBMCJLEFSA-N 0 0 456.627 4.914 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1C ZINC001451658391 1067183740 /nfs/dbraw/zinc/18/37/40/1067183740.db2.gz ZEEHVDQJYSDGMF-FQEVSTJZSA-N 0 0 457.640 4.942 20 0 JJADRN COC(=O)c1cn(CC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccccc12 ZINC001458880710 1067184422 /nfs/dbraw/zinc/18/44/22/1067184422.db2.gz TXKNUTUCIUIVCG-GOSISDBHSA-N 0 0 458.358 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001545834847 1067184612 /nfs/dbraw/zinc/18/46/12/1067184612.db2.gz CAIUMHJTGUWDRB-MOPGFXCFSA-N 0 0 467.614 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001545834850 1067184686 /nfs/dbraw/zinc/18/46/86/1067184686.db2.gz CAIUMHJTGUWDRB-RTBURBONSA-N 0 0 467.614 4.784 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N([C@H](C)C(=O)OC(C)(C)C)C2CC2)c2ccccc2)cc1 ZINC001451659553 1067184723 /nfs/dbraw/zinc/18/47/23/1067184723.db2.gz HZYNWZQGWQEFGI-XXBNENTESA-N 0 0 450.579 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)cs2)n1CC1(c2ccccc2)CC1 ZINC001545834079 1067184818 /nfs/dbraw/zinc/18/48/18/1067184818.db2.gz WFYDVANWTNHZTO-UHFFFAOYSA-N 0 0 451.640 4.935 20 0 JJADRN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458879837 1067184954 /nfs/dbraw/zinc/18/49/54/1067184954.db2.gz IEDJXDUCOHYPPD-ZMYBRWDISA-N 0 0 469.301 4.957 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CCc1ccsc1 ZINC001545834948 1067185447 /nfs/dbraw/zinc/18/54/47/1067185447.db2.gz GNEDDSAONHTXNY-UHFFFAOYSA-N 0 0 450.612 4.618 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1Cc1c(C)noc1C ZINC001545834869 1067185512 /nfs/dbraw/zinc/18/55/12/1067185512.db2.gz CYQGYIZKQRXCEB-UHFFFAOYSA-N 0 0 478.519 4.505 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(OC)c2)n1Cc1ccc(Cl)s1 ZINC001545834986 1067185891 /nfs/dbraw/zinc/18/58/91/1067185891.db2.gz HQNQIXRRVBQDDX-UHFFFAOYSA-N 0 0 462.019 4.605 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458884953 1067186112 /nfs/dbraw/zinc/18/61/12/1067186112.db2.gz QDKCVPQFOLAGKP-CABCVRRESA-N 0 0 454.851 4.867 20 0 JJADRN COc1ccc(Oc2ccc(COC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)cc2)cc1 ZINC001458883206 1067186152 /nfs/dbraw/zinc/18/61/52/1067186152.db2.gz WFXMBJFPGIKSFG-SANMLTNESA-N 0 0 458.514 4.759 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1C ZINC001458885452 1067186561 /nfs/dbraw/zinc/18/65/61/1067186561.db2.gz DFCMTBOPDZRDHY-CYBMUJFWSA-N 0 0 454.621 4.505 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCc2cc(Br)ccc2C1 ZINC001458885739 1067186598 /nfs/dbraw/zinc/18/65/98/1067186598.db2.gz KSMFKLDTYALADI-UHFFFAOYSA-N 0 0 452.230 4.716 20 0 JJADRN Cc1ccc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1Br ZINC001458887817 1067187354 /nfs/dbraw/zinc/18/73/54/1067187354.db2.gz GTMMAPUYZJJZTR-QGZVFWFLSA-N 0 0 451.434 4.811 20 0 JJADRN CCc1ccc(-c2cc(NC(=O)COc3cccc(OC)c3C=O)n(-c3ccccc3)n2)cc1 ZINC001458889184 1067187723 /nfs/dbraw/zinc/18/77/23/1067187723.db2.gz KHQONPHDWODEDG-UHFFFAOYSA-N 0 0 455.514 4.940 20 0 JJADRN COc1cncc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 ZINC001458890136 1067187787 /nfs/dbraw/zinc/18/77/87/1067187787.db2.gz RXJCZDQRLRLDQE-UHFFFAOYSA-N 0 0 454.353 4.788 20 0 JJADRN COC1(C(F)(F)F)CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC001451700583 1067187742 /nfs/dbraw/zinc/18/77/42/1067187742.db2.gz SZOBOEWELDPNKF-UHFFFAOYSA-N 0 0 450.288 4.730 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001451700717 1067187752 /nfs/dbraw/zinc/18/77/52/1067187752.db2.gz PJXOFSWDLFLVOV-UHFFFAOYSA-N 0 0 459.974 4.755 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC001451724189 1067188366 /nfs/dbraw/zinc/18/83/66/1067188366.db2.gz JLCPFWYIAFBEOM-MRXNPFEDSA-N 0 0 452.942 4.826 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001545836039 1067188515 /nfs/dbraw/zinc/18/85/15/1067188515.db2.gz YWLODUIACITPFF-NYVOZVTQSA-N 0 0 458.599 4.733 20 0 JJADRN FC(F)(F)Oc1cccc(CCSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)c1 ZINC001458894089 1067188537 /nfs/dbraw/zinc/18/85/37/1067188537.db2.gz SNEMOINIFWWZCX-SFHVURJKSA-N 0 0 456.534 4.681 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001545836038 1067188549 /nfs/dbraw/zinc/18/85/49/1067188549.db2.gz YWLODUIACITPFF-COPCDDAFSA-N 0 0 458.599 4.733 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(Br)ccc3C)CC2)no1 ZINC001458895005 1067188582 /nfs/dbraw/zinc/18/85/82/1067188582.db2.gz OQAPLJFJJJJVEN-UHFFFAOYSA-N 0 0 456.340 4.836 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1Cc1ccc(N2CCCC2)nc1 ZINC001545836225 1067188923 /nfs/dbraw/zinc/18/89/23/1067188923.db2.gz GPKKDROFUSWVPO-UHFFFAOYSA-N 0 0 496.059 4.530 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H]1CCCc2cccnc21 ZINC001545836254 1067188955 /nfs/dbraw/zinc/18/89/55/1067188955.db2.gz HGQDWOPMAPUJQS-IBGZPJMESA-N 0 0 482.579 4.626 20 0 JJADRN C[C@@H]1[C@H](NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001451741931 1067190840 /nfs/dbraw/zinc/19/08/40/1067190840.db2.gz YBQJNPULTAEMAY-HYBUGGRVSA-N 0 0 468.594 4.591 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2SC)n1C[C@H]1C(F)(F)C12CCC2 ZINC001545837460 1067190934 /nfs/dbraw/zinc/19/09/34/1067190934.db2.gz DBIIASZVNDNWNG-LJQANCHMSA-N 0 0 477.625 4.990 20 0 JJADRN CC1CCN(c2nnc(SCc3cscc3Br)n2C[C@@H]2CCCO2)CC1 ZINC001458903301 1067190873 /nfs/dbraw/zinc/19/08/73/1067190873.db2.gz TXHQFNLSQMPNAA-HNNXBMFYSA-N 0 0 457.463 4.810 20 0 JJADRN CC(=O)Nc1cccc(Nc2nnc(SCc3ccn(CCc4ccccc4)n3)s2)c1 ZINC001458902459 1067190902 /nfs/dbraw/zinc/19/09/02/1067190902.db2.gz ZEPCYQUINDLOGS-UHFFFAOYSA-N 0 0 450.593 4.972 20 0 JJADRN C[C@@H]1[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001451742110 1067190981 /nfs/dbraw/zinc/19/09/81/1067190981.db2.gz UVPIOOXJJGXEGL-NRSPTQNISA-N 0 0 475.630 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnc(C)s2)n1CCc1c[nH]c2c1cccc2C ZINC001545837726 1067191332 /nfs/dbraw/zinc/19/13/32/1067191332.db2.gz OBNZESOYYFBSET-UHFFFAOYSA-N 0 0 479.654 4.630 20 0 JJADRN CC(C)[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)ONC(=O)OC(C)(C)C ZINC001451794106 1067191400 /nfs/dbraw/zinc/19/14/00/1067191400.db2.gz LIPIMPPCMINLJS-AWEZNQCLSA-N 0 0 458.399 4.935 20 0 JJADRN Cc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCCC3)n1 ZINC001458903914 1067191398 /nfs/dbraw/zinc/19/13/98/1067191398.db2.gz JKLMSONCIXIZIR-UHFFFAOYSA-N 0 0 452.374 4.695 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C\c1cc(C)c(C)cc1C)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904691 1067191944 /nfs/dbraw/zinc/19/19/44/1067191944.db2.gz NMSARXJCZYUEHX-ZYRNGQCSSA-N 0 0 459.590 4.907 20 0 JJADRN Cc1nc(NC(=O)CSc2n[nH]c(Cc3cccs3)n2)sc1Cc1ccc(C)cc1 ZINC001458904766 1067191988 /nfs/dbraw/zinc/19/19/88/1067191988.db2.gz UFWMKVPSMNCZAM-UHFFFAOYSA-N 0 0 455.634 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC[C@]3(C)Cc3ccc(F)cc3)nc2C1 ZINC001451797491 1067192126 /nfs/dbraw/zinc/19/21/26/1067192126.db2.gz LLXGCGSTPRFNOP-AREMUKBSSA-N 0 0 453.558 4.751 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001545838801 1067192074 /nfs/dbraw/zinc/19/20/74/1067192074.db2.gz DXNLQBFIBKUJMW-UHFFFAOYSA-N 0 0 465.564 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CCc1cc2ccccc2o1 ZINC001545838799 1067192093 /nfs/dbraw/zinc/19/20/93/1067192093.db2.gz DTOUMCQJCJKSRL-UHFFFAOYSA-N 0 0 451.596 4.883 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905916 1067192094 /nfs/dbraw/zinc/19/20/94/1067192094.db2.gz RSHCTDORLUWVLR-ZDXQCDESSA-N 0 0 465.981 4.726 20 0 JJADRN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccnc(Cl)c1I ZINC001451796416 1067192183 /nfs/dbraw/zinc/19/21/83/1067192183.db2.gz KIVLIDFFMGNUAF-SFHVURJKSA-N 0 0 458.702 4.716 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nccc(C)n1 ZINC001451805694 1067192656 /nfs/dbraw/zinc/19/26/56/1067192656.db2.gz WJDLZRSVOSWJHC-MYUZEXMDSA-N 0 0 458.562 4.670 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545839030 1067192620 /nfs/dbraw/zinc/19/26/20/1067192620.db2.gz MQEGCZXFGIISJG-KGLIPLIRSA-N 0 0 472.581 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H]1CC[C@H](C)C1 ZINC001545839029 1067192625 /nfs/dbraw/zinc/19/26/25/1067192625.db2.gz MQEGCZXFGIISJG-KBPBESRZSA-N 0 0 472.581 4.744 20 0 JJADRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001451807625 1067193125 /nfs/dbraw/zinc/19/31/25/1067193125.db2.gz ZHRRIJQQUMQCSX-IOBDMEKBSA-N 0 0 450.620 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N3CCSC[C@@H]3C3CCC3)cs2)CC1 ZINC001451816705 1067193146 /nfs/dbraw/zinc/19/31/46/1067193146.db2.gz GRRDOCMONAADGJ-GOSISDBHSA-N 0 0 451.658 4.615 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)nc2C1 ZINC001451822840 1067193259 /nfs/dbraw/zinc/19/32/59/1067193259.db2.gz HSHBPYVMHWFMBG-LBPRGKRZSA-N 0 0 455.363 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001545840480 1067193889 /nfs/dbraw/zinc/19/38/89/1067193889.db2.gz DTDFZUNMCQAYCN-GOSISDBHSA-N 0 0 472.703 4.986 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545842009 1067194441 /nfs/dbraw/zinc/19/44/41/1067194441.db2.gz IBZPTXUOVFFHKB-MJGOQNOKSA-N 0 0 473.584 4.743 20 0 JJADRN C[C@@H]1CN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)c2ccccc21 ZINC001451859507 1067194578 /nfs/dbraw/zinc/19/45/78/1067194578.db2.gz JYUSDMLCZDQLES-MRXNPFEDSA-N 0 0 456.384 4.711 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCCC[C@H]3Cc3cccc(Br)c3)c2N1 ZINC001451872693 1067195375 /nfs/dbraw/zinc/19/53/75/1067195375.db2.gz LBNYQISOWSSRHJ-RPVQJOFSSA-N 0 0 467.358 4.893 20 0 JJADRN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N(Cc1c(F)cccc1F)C1CC1 ZINC001458914636 1067195461 /nfs/dbraw/zinc/19/54/61/1067195461.db2.gz QILOZXGTXHGXEK-UHFFFAOYSA-N 0 0 458.892 4.664 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC001545843421 1067195649 /nfs/dbraw/zinc/19/56/49/1067195649.db2.gz WRULYGRMCZWLTB-FQEVSTJZSA-N 0 0 455.308 4.623 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@H]2C)C1 ZINC001546104696 1067195883 /nfs/dbraw/zinc/19/58/83/1067195883.db2.gz GTJBXTQEPYXDNH-CVEARBPZSA-N 0 0 450.425 4.725 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001546104698 1067195967 /nfs/dbraw/zinc/19/59/67/1067195967.db2.gz GTJBXTQEPYXDNH-HZPDHXFCSA-N 0 0 450.425 4.725 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2C)C1 ZINC001546104697 1067196015 /nfs/dbraw/zinc/19/60/15/1067196015.db2.gz GTJBXTQEPYXDNH-HOTGVXAUSA-N 0 0 450.425 4.725 20 0 JJADRN Cc1cc2cc(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)oc2c(Br)c1 ZINC001458918049 1067196433 /nfs/dbraw/zinc/19/64/33/1067196433.db2.gz ZRZPPAKZEGAHHP-GOSISDBHSA-N 0 0 459.409 4.851 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc21 ZINC001451895736 1067196484 /nfs/dbraw/zinc/19/64/84/1067196484.db2.gz CLNSLCQOEQABQL-HUUCEWRRSA-N 0 0 466.376 4.505 20 0 JJADRN CCOC(=O)c1[nH]c(C)c(C(=O)COc2c(Br)cccc2Br)c1C ZINC001458918018 1067196521 /nfs/dbraw/zinc/19/65/21/1067196521.db2.gz AUEQERIUIJRLEL-UHFFFAOYSA-N 0 0 459.134 4.595 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545845363 1067196713 /nfs/dbraw/zinc/19/67/13/1067196713.db2.gz DMEZYMOYNJUAQZ-UHFFFAOYSA-N 0 0 453.631 4.704 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(F)cc2)n1CC1CC2(C1)CCOCC2 ZINC001545845309 1067196726 /nfs/dbraw/zinc/19/67/26/1067196726.db2.gz CLBVMCBMCHZPDI-UHFFFAOYSA-N 0 0 471.621 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545845475 1067197403 /nfs/dbraw/zinc/19/74/03/1067197403.db2.gz HUTGYXWSIZXOPO-IAGOWNOFSA-N 0 0 459.660 4.631 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@H](C)c2oc3ccccc3c2C)C1 ZINC001458920492 1067197736 /nfs/dbraw/zinc/19/77/36/1067197736.db2.gz HCJBVMIQHBQBFM-YMJPAYASSA-N 0 0 450.535 4.735 20 0 JJADRN CC(C)c1ccc(SCC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001458920540 1067197774 /nfs/dbraw/zinc/19/77/74/1067197774.db2.gz HYVPOMLYRCCJQY-HXUWFJFHSA-N 0 0 452.498 4.500 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CCOc1ccc(F)c(Cl)c1 ZINC001545845624 1067197907 /nfs/dbraw/zinc/19/79/07/1067197907.db2.gz MWHNGHBRWBVAML-UHFFFAOYSA-N 0 0 463.985 4.589 20 0 JJADRN O=C(c1cc(Cl)nc(Cl)c1)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC001451915246 1067198007 /nfs/dbraw/zinc/19/80/07/1067198007.db2.gz CBZNOTNWYYLCJD-QGZVFWFLSA-N 0 0 452.139 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCCC1(C)C ZINC001545845820 1067198059 /nfs/dbraw/zinc/19/80/59/1067198059.db2.gz SYKUAIALQTUVDA-MHZLTWQESA-N 0 0 480.657 4.646 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1OCC ZINC001451918234 1067198205 /nfs/dbraw/zinc/19/82/05/1067198205.db2.gz UJTIWDRRSSVOGE-CRAIPNDOSA-N 0 0 452.979 4.609 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC001451914394 1067198233 /nfs/dbraw/zinc/19/82/33/1067198233.db2.gz ALCLAZKQVYXONL-LJQANCHMSA-N 0 0 454.905 4.731 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001451920377 1067198659 /nfs/dbraw/zinc/19/86/59/1067198659.db2.gz NRXHKSVEMULNOH-CDXJDZJCSA-N 0 0 458.990 4.621 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@H]1OCCC1(C)C ZINC001545846003 1067198707 /nfs/dbraw/zinc/19/87/07/1067198707.db2.gz YITXBYABZHOUBK-OAQYLSRUSA-N 0 0 459.610 4.566 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001546104774 1067198845 /nfs/dbraw/zinc/19/88/45/1067198845.db2.gz IUGVPOWSGJFUPI-GJZUVCINSA-N 0 0 456.631 4.723 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1ccc(C)c(OC)c1 ZINC001545848404 1067199143 /nfs/dbraw/zinc/19/91/43/1067199143.db2.gz AJKLUJPUGPSXDB-NYVOZVTQSA-N 0 0 453.631 4.577 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(OC)CCOC2)C1 ZINC001546104794 1067199194 /nfs/dbraw/zinc/19/91/94/1067199194.db2.gz JJFIKHAYHKWDKI-HSZRJFAPSA-N 0 0 477.447 4.838 20 0 JJADRN Cc1sc2nc(S[C@@H]([C@@H]3CCOC3)C(F)(F)F)n(Cc3ccccn3)c(=O)c2c1C ZINC001458925530 1067199364 /nfs/dbraw/zinc/19/93/64/1067199364.db2.gz VGDNDTJYQZLTRW-CJNGLKHVSA-N 0 0 455.527 4.578 20 0 JJADRN C[C@@H](S[C@H](C)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458927229 1067200020 /nfs/dbraw/zinc/20/00/20/1067200020.db2.gz AYHACWZIMRMAOZ-IAGOWNOFSA-N 0 0 450.601 4.822 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccc(OC2CCCC2)nc1 ZINC001545848702 1067200328 /nfs/dbraw/zinc/20/03/28/1067200328.db2.gz DYQFFXUWIGUQRK-WIYYLYMNSA-N 0 0 468.646 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@@H]1CCOc2ccccc21 ZINC001545848711 1067200424 /nfs/dbraw/zinc/20/04/24/1067200424.db2.gz FEUAKCZVCNNFEA-HSALFYBXSA-N 0 0 453.631 4.635 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1nc(-c2ccccc2)oc1C ZINC001458932533 1067200460 /nfs/dbraw/zinc/20/04/60/1067200460.db2.gz SCGOMFXYSUXJKA-UHFFFAOYSA-N 0 0 457.324 4.618 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451943305 1067200547 /nfs/dbraw/zinc/20/05/47/1067200547.db2.gz IEUJCVJUCGOHLM-SFTDATJTSA-N 0 0 453.583 4.856 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1(C)C ZINC001451950899 1067200605 /nfs/dbraw/zinc/20/06/05/1067200605.db2.gz SPWURTPDDIXSIC-DLBZAZTESA-N 0 0 451.405 4.679 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC001458934130 1067201119 /nfs/dbraw/zinc/20/11/19/1067201119.db2.gz VVHYGSQGXMHFTE-UHFFFAOYSA-N 0 0 453.949 4.960 20 0 JJADRN CC[C@]1(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001458933333 1067201151 /nfs/dbraw/zinc/20/11/51/1067201151.db2.gz RCBWIUUGLAMEEG-UUOWRZLLSA-N 0 0 456.612 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1cc(-c2ccccc2)no1 ZINC001545848768 1067201186 /nfs/dbraw/zinc/20/11/86/1067201186.db2.gz GDBNKPGLQINWGK-XLIONFOSSA-N 0 0 450.587 4.525 20 0 JJADRN CC(C)(C)c1cccc(OCCCSc2nnc(N3CCOCC3)n2CC(F)(F)F)c1 ZINC001458932886 1067201207 /nfs/dbraw/zinc/20/12/07/1067201207.db2.gz NAMFFRSIYRBVCV-UHFFFAOYSA-N 0 0 458.550 4.536 20 0 JJADRN COc1cc(NC(=O)[C@]2(c3ccccc3)CCCO2)c(Br)cc1Br ZINC001458934755 1067201572 /nfs/dbraw/zinc/20/15/72/1067201572.db2.gz TVHYYSDQEIBYFH-GOSISDBHSA-N 0 0 455.146 4.865 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC001458934225 1067201697 /nfs/dbraw/zinc/20/16/97/1067201697.db2.gz WWTJVPSPDMMPAQ-LEWJYISDSA-N 0 0 452.555 4.564 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC001458934231 1067201855 /nfs/dbraw/zinc/20/18/55/1067201855.db2.gz WWTJVPSPDMMPAQ-SFTDATJTSA-N 0 0 452.555 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCn1c(C)nc2ccccc21 ZINC001545848995 1067202151 /nfs/dbraw/zinc/20/21/51/1067202151.db2.gz IRMJWKSURWMPSW-LJQANCHMSA-N 0 0 479.673 4.817 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1C[C@H](C)SC ZINC001545848983 1067202221 /nfs/dbraw/zinc/20/22/21/1067202221.db2.gz IOVQFYSHUOGDQX-LLGFUMIMSA-N 0 0 459.660 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545849062 1067202245 /nfs/dbraw/zinc/20/22/45/1067202245.db2.gz JPRHUCRQTUZPIZ-HZPDHXFCSA-N 0 0 481.563 4.897 20 0 JJADRN O=C(CSc1nnc(CCC2CCCCC2)o1)NCCOc1cccc(C(F)(F)F)c1 ZINC001458935814 1067202381 /nfs/dbraw/zinc/20/23/81/1067202381.db2.gz MHKUHWLWLJAQFN-UHFFFAOYSA-N 0 0 457.518 4.889 20 0 JJADRN O=C(CSc1nnc(Cc2ccccc2F)o1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC001458935337 1067202447 /nfs/dbraw/zinc/20/24/47/1067202447.db2.gz IOVYZFWWEAUDEC-OAQYLSRUSA-N 0 0 457.527 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1CC1(CC)CCOCC1 ZINC001545849393 1067203230 /nfs/dbraw/zinc/20/32/30/1067203230.db2.gz ODIAJTWKQUJDQL-YKSBVNFPSA-N 0 0 497.684 4.999 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001452011756 1067203191 /nfs/dbraw/zinc/20/31/91/1067203191.db2.gz MUSCMPLGMIHRKL-HZPDHXFCSA-N 0 0 462.114 4.546 20 0 JJADRN C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC001458940340 1067203351 /nfs/dbraw/zinc/20/33/51/1067203351.db2.gz KYQBDONCIBUBGF-GOSISDBHSA-N 0 0 454.415 4.982 20 0 JJADRN C[C@@H]1CC2(CN1C(=O)CCOc1ccc(F)cc1Cl)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452013029 1067203738 /nfs/dbraw/zinc/20/37/38/1067203738.db2.gz JSLRJEJLBKDWBG-MRXNPFEDSA-N 0 0 454.970 4.886 20 0 JJADRN CC(C)Cc1ccc([C@@]2(C)NC(=O)N(CCc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 ZINC001458942627 1067203886 /nfs/dbraw/zinc/20/38/86/1067203886.db2.gz IDBFHWXDKZLZOX-RUZDIDTESA-N 0 0 456.970 4.710 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545849795 1067204099 /nfs/dbraw/zinc/20/40/99/1067204099.db2.gz UXTCJZHNMPHLBW-BEFAXECRSA-N 0 0 451.537 4.888 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCCC2)C1 ZINC001546035264 1067204774 /nfs/dbraw/zinc/20/47/74/1067204774.db2.gz OWAJRJQXGLXXIM-UHFFFAOYSA-N 0 0 475.678 4.714 20 0 JJADRN O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC001452030990 1067204785 /nfs/dbraw/zinc/20/47/85/1067204785.db2.gz RQYGXCYEWQRKLJ-AWEZNQCLSA-N 0 0 459.281 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545850012 1067204843 /nfs/dbraw/zinc/20/48/43/1067204843.db2.gz YAVVIESPVJIFRM-GCJKJVERSA-N 0 0 492.624 4.715 20 0 JJADRN CCCc1c(NC(=O)COc2ccc(F)cc2Br)cnn1-c1ccc(F)cc1 ZINC001458947775 1067205163 /nfs/dbraw/zinc/20/51/63/1067205163.db2.gz XDZXKLJKVYKRNX-UHFFFAOYSA-N 0 0 450.283 4.883 20 0 JJADRN C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1noc(C(F)(F)F)n1 ZINC001452061376 1067206075 /nfs/dbraw/zinc/20/60/75/1067206075.db2.gz GDECUUZOGDCUSD-ZETCQYMHSA-N 0 0 451.257 4.939 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)CC2)s1 ZINC001458950950 1067206270 /nfs/dbraw/zinc/20/62/70/1067206270.db2.gz KMSZMCCLMLSZRF-ROUUACIJSA-N 0 0 455.624 4.640 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001452092126 1067206454 /nfs/dbraw/zinc/20/64/54/1067206454.db2.gz BOHFTYXRAWQLBI-UHFFFAOYSA-N 0 0 455.386 4.994 20 0 JJADRN CCCCc1nc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c(C(=O)OCC)[nH]1 ZINC001458952504 1067206777 /nfs/dbraw/zinc/20/67/77/1067206777.db2.gz HMCZIGZTJQSLBF-UHFFFAOYSA-N 0 0 450.326 4.674 20 0 JJADRN Cc1c(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001458954053 1067207371 /nfs/dbraw/zinc/20/73/71/1067207371.db2.gz FXSOIFIXPOSILL-CYBMUJFWSA-N 0 0 451.329 4.620 20 0 JJADRN Cc1c(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001458954060 1067207439 /nfs/dbraw/zinc/20/74/39/1067207439.db2.gz FXSOIFIXPOSILL-ZDUSSCGKSA-N 0 0 451.329 4.620 20 0 JJADRN CCOC(=O)c1c(C(F)(F)F)coc1COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001458954729 1067207543 /nfs/dbraw/zinc/20/75/43/1067207543.db2.gz IGTMUGMXLGHFSV-OAHLLOKOSA-N 0 0 452.385 4.956 20 0 JJADRN CCN(CC)C(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c1 ZINC001458955887 1067207839 /nfs/dbraw/zinc/20/78/39/1067207839.db2.gz BQGPIWPTTFMIAR-UHFFFAOYSA-N 0 0 450.973 4.664 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC001452137356 1067208235 /nfs/dbraw/zinc/20/82/35/1067208235.db2.gz NARGLZOKPORNFQ-DQEYMECFSA-N 0 0 459.590 4.826 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)CSc2nnc(C)n2-c2cccc(OC)c2)cc1 ZINC001452140667 1067208914 /nfs/dbraw/zinc/20/89/14/1067208914.db2.gz YUVHSKBTNMLBGK-UHFFFAOYSA-N 0 0 452.624 4.924 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSC[C@H](C)C(=O)OC ZINC001458958636 1067208916 /nfs/dbraw/zinc/20/89/16/1067208916.db2.gz OKMCBKROIMLBCP-LBPRGKRZSA-N 0 0 455.985 4.726 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Br)s2)nc1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001452152355 1067210428 /nfs/dbraw/zinc/21/04/28/1067210428.db2.gz RDPCWPWQWHAMNK-AWEZNQCLSA-N 0 0 458.259 4.659 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001546105136 1067210614 /nfs/dbraw/zinc/21/06/14/1067210614.db2.gz WDNLWQBETQQOJI-AREMUKBSSA-N 0 0 471.646 4.566 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001458964237 1067211049 /nfs/dbraw/zinc/21/10/49/1067211049.db2.gz GXMVUJYGLBYOFK-GFCCVEGCSA-N 0 0 452.001 4.614 20 0 JJADRN COc1cccc([C@@H]2[C@@H](C(=O)Oc3cc(C)c(Br)c(C)c3)CC(=O)N2C2CC2)c1 ZINC001458965547 1067211440 /nfs/dbraw/zinc/21/14/40/1067211440.db2.gz ZHYJEKDTRLBSRK-SIKLNZKXSA-N 0 0 458.352 4.732 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C1CC1 ZINC001452161963 1067211706 /nfs/dbraw/zinc/21/17/06/1067211706.db2.gz RYVXWSGLQAIDIW-UHFFFAOYSA-N 0 0 450.004 4.907 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C(C)(C)C)nn1C)C1CC1 ZINC001458965671 1067212035 /nfs/dbraw/zinc/21/20/35/1067212035.db2.gz UMVANTGHLZMREF-IBGZPJMESA-N 0 0 452.382 4.933 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cnc(Cc2ccccc2F)s1 ZINC001452179213 1067212685 /nfs/dbraw/zinc/21/26/85/1067212685.db2.gz LRGCZZNGIWOFGX-KRWDZBQOSA-N 0 0 454.445 4.625 20 0 JJADRN O=C(NC1CCN(c2cccnn2)CC1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001458968901 1067213039 /nfs/dbraw/zinc/21/30/39/1067213039.db2.gz WLRDKBXMRVLCLC-JOCHJYFZSA-N 0 0 457.361 4.689 20 0 JJADRN O=C(N[C@H](C1CCC1)C1CCCCC1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC001452185267 1067213227 /nfs/dbraw/zinc/21/32/27/1067213227.db2.gz JELNFZRIHVWNQX-IBGZPJMESA-N 0 0 452.667 4.767 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(CO)cc1 ZINC001452197921 1067213615 /nfs/dbraw/zinc/21/36/15/1067213615.db2.gz AWUBDWQSZMBFNO-NDEPHWFRSA-N 0 0 458.558 4.503 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)[C@@H]1SC ZINC001452203101 1067214235 /nfs/dbraw/zinc/21/42/35/1067214235.db2.gz HUXQTGPQYUSNNC-QRQLOZEOSA-N 0 0 469.390 4.590 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001546036879 1067214678 /nfs/dbraw/zinc/21/46/78/1067214678.db2.gz LZQGTQROJRDXPH-INIZCTEOSA-N 0 0 494.587 4.674 20 0 JJADRN COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nccs3)nnc2-c2ccc(C)cc2)cc1 ZINC001458976632 1067215160 /nfs/dbraw/zinc/21/51/60/1067215160.db2.gz GUFQYSHIWZNOHS-OAHLLOKOSA-N 0 0 451.577 4.827 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC001458976460 1067215306 /nfs/dbraw/zinc/21/53/06/1067215306.db2.gz YPWZNJUKSYYDEK-AWEZNQCLSA-N 0 0 457.347 4.534 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1scc(Br)c1Br ZINC001458979001 1067216393 /nfs/dbraw/zinc/21/63/93/1067216393.db2.gz VRYRTWLBEJYUNE-LLVKDONJSA-N 0 0 453.196 4.515 20 0 JJADRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC001458978681 1067216403 /nfs/dbraw/zinc/21/64/03/1067216403.db2.gz OFZOFZQUPURLND-UHFFFAOYSA-N 0 0 452.511 4.855 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001458980746 1067216688 /nfs/dbraw/zinc/21/66/88/1067216688.db2.gz USQXPFYFICFUBN-SFHVURJKSA-N 0 0 452.334 4.956 20 0 JJADRN Cc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)c1C ZINC001458980956 1067217092 /nfs/dbraw/zinc/21/70/92/1067217092.db2.gz IXYBLCSGQBJBPT-UHFFFAOYSA-N 0 0 450.955 4.725 20 0 JJADRN C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)N(C)Cc1cccc(F)c1 ZINC001458981612 1067217263 /nfs/dbraw/zinc/21/72/63/1067217263.db2.gz ZTTRMGMWARDJJO-HNNXBMFYSA-N 0 0 456.568 4.926 20 0 JJADRN O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC001452269967 1067217395 /nfs/dbraw/zinc/21/73/95/1067217395.db2.gz PYJKZMOTSOJIRM-FQEVSTJZSA-N 0 0 450.332 4.974 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)c2cccc(Oc3nccs3)c2)C1)NCc1ccc(F)cc1 ZINC001452272868 1067217758 /nfs/dbraw/zinc/21/77/58/1067217758.db2.gz GJXBFRHMXRIPJK-GOSISDBHSA-N 0 0 453.539 4.633 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1)NCc1ccc(F)cc1 ZINC001452280073 1067218304 /nfs/dbraw/zinc/21/83/04/1067218304.db2.gz PTOXECSPQLJXBO-GOSISDBHSA-N 0 0 450.476 4.879 20 0 JJADRN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001458983451 1067218665 /nfs/dbraw/zinc/21/86/65/1067218665.db2.gz XAJGNZSIWSCHGE-SFHVURJKSA-N 0 0 456.502 4.505 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)CCc2ccccc2C(F)(F)F)C1)NCc1ccc(F)cc1 ZINC001452287125 1067218802 /nfs/dbraw/zinc/21/88/02/1067218802.db2.gz IHSPHXLHJREGKA-GOSISDBHSA-N 0 0 450.476 4.722 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCS(C)(=O)=O)C1 ZINC001546104888 1067219112 /nfs/dbraw/zinc/21/91/12/1067219112.db2.gz MNAPDDNGDRLBRK-UHFFFAOYSA-N 0 0 464.701 4.727 20 0 JJADRN Cc1nc2[nH]c(S[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)nc2cc1Br ZINC001458984209 1067219245 /nfs/dbraw/zinc/21/92/45/1067219245.db2.gz YPXHNWXSIHMVFY-CQSZACIVSA-N 0 0 455.740 4.719 20 0 JJADRN CC(=O)Oc1ccc(CC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1 ZINC001458985395 1067219651 /nfs/dbraw/zinc/21/96/51/1067219651.db2.gz OLIIGSCQKDKMIH-UHFFFAOYSA-N 0 0 450.564 4.675 20 0 JJADRN CCOC(=O)[C@H](CC)S[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC001458985777 1067219700 /nfs/dbraw/zinc/21/97/00/1067219700.db2.gz ZCOZWZQYSOPGIT-ZANVPECISA-N 0 0 453.196 4.614 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(SCc4cccc(Br)c4C)n3N)n[nH]2)cc1 ZINC001458986626 1067220217 /nfs/dbraw/zinc/22/02/17/1067220217.db2.gz FLXJNRUWUPGPSU-UHFFFAOYSA-N 0 0 455.385 4.721 20 0 JJADRN CCN1C(=O)N=NC1C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001452348417 1067220775 /nfs/dbraw/zinc/22/07/75/1067220775.db2.gz KELHKVKSHQPJBC-UHFFFAOYSA-N 0 0 450.505 4.631 20 0 JJADRN CCOc1ccc(NC(=O)[C@H](C)Sc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC001458987500 1067221052 /nfs/dbraw/zinc/22/10/52/1067221052.db2.gz YYQOCQNDXBJGFA-AWEZNQCLSA-N 0 0 453.955 4.987 20 0 JJADRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)n2N)c1 ZINC001458987748 1067221168 /nfs/dbraw/zinc/22/11/68/1067221168.db2.gz JXNHGPLSMZMXRS-OLZOCXBDSA-N 0 0 450.395 4.632 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC001458987503 1067221235 /nfs/dbraw/zinc/22/12/35/1067221235.db2.gz YYQOCQNDXBJGFA-CQSZACIVSA-N 0 0 453.955 4.987 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncco1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452400759 1067221398 /nfs/dbraw/zinc/22/13/98/1067221398.db2.gz GHBUSQVSDAHSPD-UXHICEINSA-N 0 0 458.345 4.686 20 0 JJADRN CC(=O)c1ccc(Br)cc1OCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC001458990300 1067221609 /nfs/dbraw/zinc/22/16/09/1067221609.db2.gz ACUJVTXLFNAWBL-UHFFFAOYSA-N 0 0 456.340 4.780 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)Oc2cc(Cl)c(Br)cc2Cl)c1 ZINC001458988985 1067221638 /nfs/dbraw/zinc/22/16/38/1067221638.db2.gz CPPNCOFYTKVONR-UHFFFAOYSA-N 0 0 456.116 4.908 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncco1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001452401826 1067221867 /nfs/dbraw/zinc/22/18/67/1067221867.db2.gz IOLLNSMCLWQLSV-VQTJNVASSA-N 0 0 458.345 4.686 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H]2CCC3(CCCCC3)O2)[C@H]1c1ccccc1OC ZINC001458990455 1067222036 /nfs/dbraw/zinc/22/20/36/1067222036.db2.gz PSPDQHDNRZJQSK-JLRUASKGSA-N 0 0 456.627 4.773 20 0 JJADRN FC(F)(F)c1ccc(-c2noc(Cn3nnc(Cc4ccc(Cl)c(Cl)c4)n3)n2)cc1 ZINC001458992497 1067222605 /nfs/dbraw/zinc/22/26/05/1067222605.db2.gz BSYCCMIRGYVIPK-UHFFFAOYSA-N 0 0 455.227 4.688 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1cccc(Br)c1 ZINC001452425880 1067223298 /nfs/dbraw/zinc/22/32/98/1067223298.db2.gz CRZSZRFSMMINQZ-OAHLLOKOSA-N 0 0 450.340 4.826 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001546038575 1067223307 /nfs/dbraw/zinc/22/33/07/1067223307.db2.gz RZQSGGRZWKDSSK-UHFFFAOYSA-N 0 0 461.448 4.887 20 0 JJADRN COc1ccc(Br)cc1-c1nc(Cn2nnnc2/C=C\c2ccccc2)cs1 ZINC001458994160 1067223346 /nfs/dbraw/zinc/22/33/46/1067223346.db2.gz GGWDOVFIKVIFPO-YFHOEESVSA-N 0 0 454.353 4.786 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC001458995582 1067223398 /nfs/dbraw/zinc/22/33/98/1067223398.db2.gz PVPALRTXVHLXOU-SUMWQHHRSA-N 0 0 459.237 4.765 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001452438544 1067223798 /nfs/dbraw/zinc/22/37/98/1067223798.db2.gz MQSZMEOMKNWTCX-OALUTQOASA-N 0 0 452.776 4.709 20 0 JJADRN C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2ccccc2o1 ZINC001458995754 1067223790 /nfs/dbraw/zinc/22/37/90/1067223790.db2.gz QYMSSNAXTKYFAK-LJQANCHMSA-N 0 0 451.567 4.637 20 0 JJADRN CCn1c(=O)c2cc(F)ccc2nc1SCc1csc(-c2cccc(OC)c2OC)n1 ZINC001458995466 1067223910 /nfs/dbraw/zinc/22/39/10/1067223910.db2.gz IQUUFDBWLDDESC-UHFFFAOYSA-N 0 0 457.552 4.989 20 0 JJADRN COC(=O)c1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)c(F)c1 ZINC001458996778 1067224417 /nfs/dbraw/zinc/22/44/17/1067224417.db2.gz GFUBSSUSXOMRDV-UHFFFAOYSA-N 0 0 453.495 4.716 20 0 JJADRN O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001452445132 1067224377 /nfs/dbraw/zinc/22/43/77/1067224377.db2.gz SZCFUGDDJLUTRV-RTWAWAEBSA-N 0 0 455.352 4.702 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001458996969 1067224424 /nfs/dbraw/zinc/22/44/24/1067224424.db2.gz VFLJVEKNHBALRF-UHFFFAOYSA-N 0 0 458.202 4.717 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccccc3)C3(CO)CCCCC3)CC2=O)cc1 ZINC001452455717 1067225197 /nfs/dbraw/zinc/22/51/97/1067225197.db2.gz CPLWMBSGYMZDSA-YKSBVNFPSA-N 0 0 452.620 4.562 20 0 JJADRN CC(C)[C@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)C(=O)N1CCOCC1 ZINC001458998851 1067225307 /nfs/dbraw/zinc/22/53/07/1067225307.db2.gz RFBGGVABBCPQDQ-FQEVSTJZSA-N 0 0 456.999 4.563 20 0 JJADRN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001452461737 1067225774 /nfs/dbraw/zinc/22/57/74/1067225774.db2.gz JXRGTTLCHGIXME-SFHVURJKSA-N 0 0 455.407 4.805 20 0 JJADRN C[C@@H](NC(=O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)c(Cl)c1 ZINC001458999553 1067225818 /nfs/dbraw/zinc/22/58/18/1067225818.db2.gz OZMFVYVXUNEINE-SNVBAGLBSA-N 0 0 459.164 4.755 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C[C@H]1c1ccc(O)cc1 ZINC001452463264 1067225844 /nfs/dbraw/zinc/22/58/44/1067225844.db2.gz QTRJSEAYFIOVNW-BJKOFHAPSA-N 0 0 460.530 4.732 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)ccc1F ZINC001546039051 1067226128 /nfs/dbraw/zinc/22/61/28/1067226128.db2.gz KRSIKCLDKQVLLE-URXFXBBRSA-N 0 0 452.551 4.788 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3OC)nnc2-c2ccco2)cc1 ZINC001459000860 1067226261 /nfs/dbraw/zinc/22/62/61/1067226261.db2.gz ZZYUTRJWHNXEDX-HNNXBMFYSA-N 0 0 450.520 4.664 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)ccc1F ZINC001546039050 1067226294 /nfs/dbraw/zinc/22/62/94/1067226294.db2.gz KRSIKCLDKQVLLE-QPPBQGQZSA-N 0 0 452.551 4.788 20 0 JJADRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)C1 ZINC001452481619 1067226786 /nfs/dbraw/zinc/22/67/86/1067226786.db2.gz LTALOTVPMBQRCD-QFBILLFUSA-N 0 0 454.380 4.709 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3(c4cccc(OC(F)(F)F)c4)CC3)n2)n1 ZINC001452486936 1067227244 /nfs/dbraw/zinc/22/72/44/1067227244.db2.gz SZHMVNGDOWIDHH-UHFFFAOYSA-N 0 0 450.848 4.855 20 0 JJADRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O ZINC001459003373 1067227215 /nfs/dbraw/zinc/22/72/15/1067227215.db2.gz XFJGJGMNPOXLFQ-QFIPXVFZSA-N 0 0 450.457 4.649 20 0 JJADRN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1cccc(NC(=O)c2cccnc2)c1 ZINC001452489651 1067227668 /nfs/dbraw/zinc/22/76/68/1067227668.db2.gz DGDFZCNSRWGWJP-UHFFFAOYSA-N 0 0 457.559 4.605 20 0 JJADRN Cc1ccn(-c2cccc(C(=O)N(Cc3cccc(Br)c3)C3CCOCC3)c2)n1 ZINC001459004209 1067227720 /nfs/dbraw/zinc/22/77/20/1067227720.db2.gz LCHKHAQUIWXUIN-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN CC(=O)c1ccc(Br)cc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC001459003825 1067227808 /nfs/dbraw/zinc/22/78/08/1067227808.db2.gz ZIJLDSSXHAKTQR-QGZVFWFLSA-N 0 0 457.280 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)NCCCc2nc(-c3ccccn3)cs2)C1 ZINC001452493834 1067228286 /nfs/dbraw/zinc/22/82/86/1067228286.db2.gz JBOHUANJMKYFLA-GOSISDBHSA-N 0 0 458.628 4.681 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)O[C@@H]1CCOC1 ZINC001452498047 1067229023 /nfs/dbraw/zinc/22/90/23/1067229023.db2.gz JELAFAJVBZIXDU-DNVKUUNQSA-N 0 0 457.998 4.973 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)NCCCc1nc(-c2ccccn2)cs1 ZINC001452498644 1067229052 /nfs/dbraw/zinc/22/90/52/1067229052.db2.gz SNSUUKKNEWFOCQ-UHFFFAOYSA-N 0 0 450.789 4.913 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498848 1067229172 /nfs/dbraw/zinc/22/91/72/1067229172.db2.gz PPAPOYRXHFHYRY-XDNAFOTISA-N 0 0 452.636 4.531 20 0 JJADRN Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c1 ZINC001546105518 1067229227 /nfs/dbraw/zinc/22/92/27/1067229227.db2.gz LKIHXKPBOWESQJ-ZWKOTPCHSA-N 0 0 456.951 4.897 20 0 JJADRN Clc1cc(Cl)c2nc(CSc3nnnn3-c3ccc(Br)cc3)cn2c1 ZINC001459014257 1067229272 /nfs/dbraw/zinc/22/92/72/1067229272.db2.gz YZDDXGSQHHDBRO-UHFFFAOYSA-N 0 0 456.156 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCc1nc(-c2ccccn2)cs1 ZINC001452504152 1067230032 /nfs/dbraw/zinc/23/00/32/1067230032.db2.gz WBMZDPHNRUPLFK-XGHQBKJUSA-N 0 0 456.612 4.637 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c3ccccc3n2)cc1 ZINC001452512608 1067230097 /nfs/dbraw/zinc/23/00/97/1067230097.db2.gz FKKQDXJNDJXRSX-QGZVFWFLSA-N 0 0 455.480 4.741 20 0 JJADRN Cc1ccc(OCc2nc(COc3ccc(C)nc3I)cs2)cc1 ZINC001459020258 1067230707 /nfs/dbraw/zinc/23/07/07/1067230707.db2.gz QHEHJGSYXKBUFV-UHFFFAOYSA-N 0 0 452.317 4.918 20 0 JJADRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001452520421 1067231087 /nfs/dbraw/zinc/23/10/87/1067231087.db2.gz UEWWSBAOCJLSHX-XDHUDOTRSA-N 0 0 452.913 4.943 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(Br)c1 ZINC001459027095 1067231784 /nfs/dbraw/zinc/23/17/84/1067231784.db2.gz RRRWNZWUAGGFGY-ZDUSSCGKSA-N 0 0 455.352 4.772 20 0 JJADRN O=C(NCC=C(Cl)Cl)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001452535835 1067232672 /nfs/dbraw/zinc/23/26/72/1067232672.db2.gz JRJQZDAOKBVFQW-UHFFFAOYSA-N 0 0 459.782 4.530 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC001459028920 1067232659 /nfs/dbraw/zinc/23/26/59/1067232659.db2.gz BLZJUWYJSVQXIV-MRXNPFEDSA-N 0 0 455.352 4.852 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC(CCCn4ccnc4)CC3)CC2(Cl)Cl)cc1 ZINC001546105721 1067233376 /nfs/dbraw/zinc/23/33/76/1067233376.db2.gz TXFUMCCVLZBHHX-QFIPXVFZSA-N 0 0 450.410 4.816 20 0 JJADRN O=C(NCc1nc2ccc(Br)cc2o1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001452551720 1067233654 /nfs/dbraw/zinc/23/36/54/1067233654.db2.gz IMVUVYUOVOLDGL-UHFFFAOYSA-N 0 0 450.651 4.968 20 0 JJADRN CS[C@H](C)CNC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001546040261 1067233699 /nfs/dbraw/zinc/23/36/99/1067233699.db2.gz BATMWOHBWNIFNU-MRXNPFEDSA-N 0 0 450.560 4.800 20 0 JJADRN CCCc1c(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)nnn1-c1cccc(C(C)C)c1 ZINC001452555276 1067233727 /nfs/dbraw/zinc/23/37/27/1067233727.db2.gz BZQZLCHWNMZXSS-QHCPKHFHSA-N 0 0 454.615 4.593 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459030840 1067233817 /nfs/dbraw/zinc/23/38/17/1067233817.db2.gz GAWIVGLPABVNIG-BKGUAONASA-N 0 0 458.274 4.817 20 0 JJADRN COc1cc(CN(C)C(=O)CSc2nnc(C)n2C(C)C)ccc1OCc1ccccc1 ZINC001459030674 1067233903 /nfs/dbraw/zinc/23/39/03/1067233903.db2.gz CKUOSQKGQOQCAZ-UHFFFAOYSA-N 0 0 454.596 4.506 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)C12CCC2 ZINC001452562079 1067234074 /nfs/dbraw/zinc/23/40/74/1067234074.db2.gz GRBMRTQAHMPMDY-PMACEKPBSA-N 0 0 452.599 4.871 20 0 JJADRN CC(C)[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1(CO)CC=CC1 ZINC001452560171 1067234127 /nfs/dbraw/zinc/23/41/27/1067234127.db2.gz CRXGIUZFGKEUOA-NRFANRHFSA-N 0 0 458.628 4.605 20 0 JJADRN COC1(OC)CC2(CN(C(=O)/C=C/c3ccc(C(=O)OC(C)(C)C)o3)[C@@H]2c2ccccc2)C1 ZINC001452561856 1067234215 /nfs/dbraw/zinc/23/42/15/1067234215.db2.gz PQUKJIVMNXMDTB-XSEIIIHRSA-N 0 0 453.535 4.601 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC001452561524 1067234227 /nfs/dbraw/zinc/23/42/27/1067234227.db2.gz FHYHGFWCSZTRTG-IRXDYDNUSA-N 0 0 456.505 4.815 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C12CCC2 ZINC001452568313 1067234684 /nfs/dbraw/zinc/23/46/84/1067234684.db2.gz OMHYEKBGIYYMKF-CVEARBPZSA-N 0 0 457.796 4.597 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC001459033358 1067234751 /nfs/dbraw/zinc/23/47/51/1067234751.db2.gz YQMNHKJFIXPHBG-NEPJUHHUSA-N 0 0 452.454 4.991 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccccc1 ZINC001459033518 1067234785 /nfs/dbraw/zinc/23/47/85/1067234785.db2.gz KNRYKFHURYYQFR-QHCPKHFHSA-N 0 0 458.396 4.898 20 0 JJADRN C[C@@]1(CO)CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001546040524 1067235667 /nfs/dbraw/zinc/23/56/67/1067235667.db2.gz GVYZBEWTBXNDOZ-HSZRJFAPSA-N 0 0 454.368 4.536 20 0 JJADRN O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC001452593542 1067235676 /nfs/dbraw/zinc/23/56/76/1067235676.db2.gz IZTRFYIXRKVVHN-TZIWHRDSSA-N 0 0 458.331 4.502 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc(Br)c1OC ZINC001459035737 1067235878 /nfs/dbraw/zinc/23/58/78/1067235878.db2.gz OXPTXYAEDWQHCL-XIKOKIGWSA-N 0 0 454.748 4.722 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC001459037715 1067236278 /nfs/dbraw/zinc/23/62/78/1067236278.db2.gz RWXPQXZGFVBBSW-SNVBAGLBSA-N 0 0 454.162 4.984 20 0 JJADRN CCCOc1ccc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC001452603503 1067236264 /nfs/dbraw/zinc/23/62/64/1067236264.db2.gz KVVFLQQSTLUUDY-UHFFFAOYSA-N 0 0 459.608 4.634 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)[C@]1(C)CCc2ccccc21 ZINC001459042075 1067237374 /nfs/dbraw/zinc/23/73/74/1067237374.db2.gz BMPMBQXDBYROCW-YADARESESA-N 0 0 458.396 4.869 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)C[C@H]1c1ccc(Cl)cc1 ZINC001452621815 1067237724 /nfs/dbraw/zinc/23/77/24/1067237724.db2.gz SMERMOGPQZEHOO-ZWKOTPCHSA-N 0 0 478.854 4.641 20 0 JJADRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001546041004 1067237926 /nfs/dbraw/zinc/23/79/26/1067237926.db2.gz QSBSTARSXQDYJU-MAODMQOUSA-N 0 0 456.995 4.891 20 0 JJADRN CCN(CC(=O)NCc1cccc(C)c1OC)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452623571 1067238300 /nfs/dbraw/zinc/23/83/00/1067238300.db2.gz ALXZAJIUBZAVEF-UHFFFAOYSA-N 0 0 458.558 4.891 20 0 JJADRN Cc1nc(Cl)sc1C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001459046691 1067238407 /nfs/dbraw/zinc/23/84/07/1067238407.db2.gz MAGMTOKBVRVAFG-ZDUSSCGKSA-N 0 0 459.793 4.697 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)n[nH]1 ZINC001452631469 1067238882 /nfs/dbraw/zinc/23/88/82/1067238882.db2.gz IQYUQBRWCZMIHP-UHFFFAOYSA-N 0 0 451.592 4.619 20 0 JJADRN CC[C@H](CC(F)(F)F)C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001459050241 1067239294 /nfs/dbraw/zinc/23/92/94/1067239294.db2.gz VYMNOGIBIGMMSR-HIFRSBDPSA-N 0 0 452.311 4.944 20 0 JJADRN O=C(Cn1c(Br)nc(Br)c1Br)c1cccc(Cl)c1 ZINC001459055840 1067239727 /nfs/dbraw/zinc/23/97/27/1067239727.db2.gz PYYWQCXRWSFOOQ-UHFFFAOYSA-N 0 0 457.347 4.707 20 0 JJADRN O=C(O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459051173 1067239748 /nfs/dbraw/zinc/23/97/48/1067239748.db2.gz NEEUKMTUPGGZNT-FQEVSTJZSA-N 0 0 454.347 4.827 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)OCc1ccccc1 ZINC001452645462 1067239860 /nfs/dbraw/zinc/23/98/60/1067239860.db2.gz XJOPIBNFZXOOIU-NQIIRXRSSA-N 0 0 454.567 4.527 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)OCc1ccccc1 ZINC001452645465 1067239891 /nfs/dbraw/zinc/23/98/91/1067239891.db2.gz XJOPIBNFZXOOIU-WIYYLYMNSA-N 0 0 454.567 4.527 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001546041595 1067239903 /nfs/dbraw/zinc/23/99/03/1067239903.db2.gz IFEDIWRBIANNSM-GOSISDBHSA-N 0 0 489.089 4.892 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)C1 ZINC001459052996 1067240133 /nfs/dbraw/zinc/24/01/33/1067240133.db2.gz ONFRNAHFCSYKTP-ZDUSSCGKSA-N 0 0 450.992 4.868 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)NC(C)=O ZINC001452650741 1067240251 /nfs/dbraw/zinc/24/02/51/1067240251.db2.gz CTWPDAMTVYEVOS-XMMPIXPASA-N 0 0 458.549 4.802 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3ccc(I)cc3F)CC2)n1 ZINC001452650040 1067240410 /nfs/dbraw/zinc/24/04/10/1067240410.db2.gz AFZVXCXFBHAGJP-UHFFFAOYSA-N 0 0 458.340 4.544 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)N1CCCC1=O ZINC001459055789 1067240534 /nfs/dbraw/zinc/24/05/34/1067240534.db2.gz WCSUOOSLUSBEFL-QGZVFWFLSA-N 0 0 450.992 4.867 20 0 JJADRN COc1ccc(-c2ccn(-c3ccc(S[C@H](C)C(=O)N(C)C4CCCCC4)nn3)n2)cc1 ZINC001459054575 1067240547 /nfs/dbraw/zinc/24/05/47/1067240547.db2.gz AKBUOZDFYHQDCS-QGZVFWFLSA-N 0 0 451.596 4.610 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001546041796 1067240977 /nfs/dbraw/zinc/24/09/77/1067240977.db2.gz OCFFLDDALFMUDD-HXUWFJFHSA-N 0 0 458.672 4.561 20 0 JJADRN CCOC(=O)C[C@H](S[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC ZINC001459059009 1067241243 /nfs/dbraw/zinc/24/12/43/1067241243.db2.gz RXFFVUWLRPJJNX-RNCFNFMXSA-N 0 0 456.775 4.592 20 0 JJADRN CCOC(=O)Nc1ccc2c(COc3cc(Br)cc(F)c3F)cc(=O)oc2c1 ZINC001459059100 1067241324 /nfs/dbraw/zinc/24/13/24/1067241324.db2.gz UQLFFBLNTAUEIP-UHFFFAOYSA-N 0 0 454.223 4.981 20 0 JJADRN Cn1ncc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C(F)(F)F ZINC001459058502 1067241374 /nfs/dbraw/zinc/24/13/74/1067241374.db2.gz LQXGGWDAAVYDAT-INIZCTEOSA-N 0 0 450.848 4.592 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)cc1 ZINC001452661851 1067241855 /nfs/dbraw/zinc/24/18/55/1067241855.db2.gz ZMGYZPADOBWOHJ-IBGZPJMESA-N 0 0 459.384 4.890 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2nc(C)cc2C)C1 ZINC001546106160 1067241863 /nfs/dbraw/zinc/24/18/63/1067241863.db2.gz LGHMDONQLDBJDE-UHFFFAOYSA-N 0 0 466.630 4.882 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)Nc3cc(Br)cc(C(C)(C)C)c3O)c(C)c12 ZINC001452661326 1067241962 /nfs/dbraw/zinc/24/19/62/1067241962.db2.gz YPDGQSXOBWWWSL-UHFFFAOYSA-N 0 0 459.388 4.840 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001546041912 1067241992 /nfs/dbraw/zinc/24/19/92/1067241992.db2.gz RJOLZCMJSNFWHE-GOSISDBHSA-N 0 0 497.467 4.968 20 0 JJADRN CCc1csc(CC2CCN(C(=O)CCCc3nc(-c4ccc(OC)cc4)no3)CC2)n1 ZINC001452661342 1067242023 /nfs/dbraw/zinc/24/20/23/1067242023.db2.gz WUNJUNDBYHBOIE-UHFFFAOYSA-N 0 0 454.596 4.568 20 0 JJADRN O=C(O[C@H]1CCc2ccc(OC(F)(F)F)cc21)c1cc(Br)cn(C2CC2)c1=O ZINC001459065330 1067242448 /nfs/dbraw/zinc/24/24/48/1067242448.db2.gz BFMRYRJAIGBRRW-INIZCTEOSA-N 0 0 458.230 4.689 20 0 JJADRN Cc1ccc(-n2ccc(NC(=O)c3cccc(OCCN(C)C(=O)OC(C)(C)C)c3)n2)cc1 ZINC001452664385 1067242535 /nfs/dbraw/zinc/24/25/35/1067242535.db2.gz REQFHWABKNSYJO-UHFFFAOYSA-N 0 0 450.539 4.679 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC001459065531 1067242896 /nfs/dbraw/zinc/24/28/96/1067242896.db2.gz CWAGKIHGASZPEV-SFHVURJKSA-N 0 0 457.470 4.506 20 0 JJADRN CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c2ccccc21 ZINC001452681418 1067242949 /nfs/dbraw/zinc/24/29/49/1067242949.db2.gz LINRRRVKYXJXMF-CDNPAEQRSA-N 0 0 455.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001452682289 1067243435 /nfs/dbraw/zinc/24/34/35/1067243435.db2.gz NKRPOHSNAZJMON-TZRRMPRUSA-N 0 0 456.627 4.950 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)c2)c1 ZINC001452686186 1067243446 /nfs/dbraw/zinc/24/34/46/1067243446.db2.gz AVWVQDMLVSBLBE-KRWDZBQOSA-N 0 0 455.407 4.808 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)c2ccccc21 ZINC001459069623 1067243839 /nfs/dbraw/zinc/24/38/39/1067243839.db2.gz LKUKYBIFTJNOFQ-QGZVFWFLSA-N 0 0 455.605 4.792 20 0 JJADRN CN(C)Cc1ccc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cc1Br ZINC001459071478 1067244232 /nfs/dbraw/zinc/24/42/32/1067244232.db2.gz JNALPZLITIQJEW-UHFFFAOYSA-N 0 0 453.768 4.510 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC[C@@H]3CC3(Cl)Cl)cc2)cc1C ZINC001452690920 1067244288 /nfs/dbraw/zinc/24/42/88/1067244288.db2.gz KLWMWQFWVDVUGW-QGZVFWFLSA-N 0 0 455.407 4.808 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)ccc1Br ZINC001459071343 1067244263 /nfs/dbraw/zinc/24/42/63/1067244263.db2.gz QAAKEGFSDQWFBY-MRXNPFEDSA-N 0 0 457.365 4.504 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001452692140 1067244887 /nfs/dbraw/zinc/24/48/87/1067244887.db2.gz RDVUFYKFHSMGLT-QFIPXVFZSA-N 0 0 457.636 4.992 20 0 JJADRN CN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452693293 1067245064 /nfs/dbraw/zinc/24/50/64/1067245064.db2.gz IWIUSCBGKZCSED-JVPYDEADSA-N 0 0 454.590 4.742 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC001459074357 1067245298 /nfs/dbraw/zinc/24/52/98/1067245298.db2.gz ZLYUGVGAFXLUMX-IBGZPJMESA-N 0 0 453.926 4.796 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)NCc3cccc(-c4cnco4)c3)C2)C1 ZINC001452716426 1067245999 /nfs/dbraw/zinc/24/59/99/1067245999.db2.gz PRWPKPRILAIUNI-IQJRZOLZSA-N 0 0 457.596 4.527 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc1 ZINC001459077070 1067246465 /nfs/dbraw/zinc/24/64/65/1067246465.db2.gz LKSBRIIANDYEGG-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CC1(C)[C@@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C[C@@H]1N1CCOCC1 ZINC001452725576 1067246666 /nfs/dbraw/zinc/24/66/66/1067246666.db2.gz IYBARYAJHISTCP-OALUTQOASA-N 0 0 454.514 4.543 20 0 JJADRN CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(Cl)c1 ZINC001459078376 1067246859 /nfs/dbraw/zinc/24/68/59/1067246859.db2.gz RGFDXWACWJDDBJ-HNNXBMFYSA-N 0 0 451.350 4.647 20 0 JJADRN Cc1c(NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c(=O)n(C2CCCCC2)n1C ZINC001452734954 1067247128 /nfs/dbraw/zinc/24/71/28/1067247128.db2.gz UBHKRFBVURDGPS-GOSISDBHSA-N 0 0 450.624 4.611 20 0 JJADRN O=C1c2ccccc2C(=O)N1CCOCCS[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC001459080780 1067247441 /nfs/dbraw/zinc/24/74/41/1067247441.db2.gz WYCGDXQUVHXZHQ-QFIPXVFZSA-N 0 0 459.995 4.854 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1Br ZINC001459080935 1067247758 /nfs/dbraw/zinc/24/77/58/1067247758.db2.gz HOTVAJLAUGGYLN-UHFFFAOYSA-N 0 0 455.352 4.616 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1coc(C2CC2)n1 ZINC001459083645 1067248455 /nfs/dbraw/zinc/24/84/55/1067248455.db2.gz IMMRRRUJKIVZPY-RBBKRZOGSA-N 0 0 453.583 4.930 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(C)cccc2C1 ZINC001546043439 1067248568 /nfs/dbraw/zinc/24/85/68/1067248568.db2.gz SNYICGIJFQQTKE-QFIPXVFZSA-N 0 0 483.657 4.772 20 0 JJADRN FC(F)(F)c1cc(Br)ccc1-c1nnn(Cc2c(Cl)cncc2Cl)n1 ZINC001459088774 1067248856 /nfs/dbraw/zinc/24/88/56/1067248856.db2.gz QNMYZJWBPKNHKJ-UHFFFAOYSA-N 0 0 453.049 4.872 20 0 JJADRN Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[nH]c1=O ZINC001459089463 1067249186 /nfs/dbraw/zinc/24/91/86/1067249186.db2.gz CZOFDTFBXKBTRB-XAUMDUMWSA-N 0 0 457.596 4.839 20 0 JJADRN COc1cc(N)c(C(=O)NC2(c3ccccc3Br)CCC2)cc1Br ZINC001452766207 1067249450 /nfs/dbraw/zinc/24/94/50/1067249450.db2.gz KVRFGKURAAZWCI-UHFFFAOYSA-N 0 0 454.162 4.612 20 0 JJADRN CS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001452766099 1067249646 /nfs/dbraw/zinc/24/96/46/1067249646.db2.gz KATGFDKIUBYGJZ-RTBURBONSA-N 0 0 472.554 4.910 20 0 JJADRN CCOC(=O)[C@H](COC)N(C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CC1 ZINC001459098505 1067249668 /nfs/dbraw/zinc/24/96/68/1067249668.db2.gz MFDQYQLGXWTZJK-DEOSSOPVSA-N 0 0 453.579 4.746 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001546106009 1067249787 /nfs/dbraw/zinc/24/97/87/1067249787.db2.gz GINHUQWAZSCJQZ-QGZVFWFLSA-N 0 0 495.487 4.549 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(C2SCCS2)cc1 ZINC001459099669 1067250108 /nfs/dbraw/zinc/25/01/08/1067250108.db2.gz ODRFCEVQXVJMIG-MRXNPFEDSA-N 0 0 452.523 4.719 20 0 JJADRN O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cc(Br)cnc1Br ZINC001459103036 1067251139 /nfs/dbraw/zinc/25/11/39/1067251139.db2.gz ZGIDTBXIUIYXOP-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cc(C)nn2C)C1 ZINC001546106305 1067251575 /nfs/dbraw/zinc/25/15/75/1067251575.db2.gz RAOZTJMNSKLAOX-UHFFFAOYSA-N 0 0 487.446 4.823 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2c(C)noc2C)C1 ZINC001546106332 1067252066 /nfs/dbraw/zinc/25/20/66/1067252066.db2.gz SNEAGRNDYCZRMK-UHFFFAOYSA-N 0 0 453.587 4.826 20 0 JJADRN COc1ccc(CN(C(=O)Cn2cnc3c2C[C@H](C)[C@H](C)C3)[C@@H](C)Cc2cccs2)cc1 ZINC001459108295 1067252148 /nfs/dbraw/zinc/25/21/48/1067252148.db2.gz WUBGNETWUBMRQP-AABGKKOBSA-N 0 0 451.636 4.984 20 0 JJADRN COc1ccc([C@H](CC(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)NC(C)=O)cc1 ZINC001459110036 1067252501 /nfs/dbraw/zinc/25/25/01/1067252501.db2.gz HXINUEISHLXZJZ-NLFFAJNJSA-N 0 0 457.574 4.704 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)c2nc1C ZINC001459108938 1067252587 /nfs/dbraw/zinc/25/25/87/1067252587.db2.gz FPLHEMLMSMNBBQ-QHCPKHFHSA-N 0 0 457.505 4.643 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546044375 1067252609 /nfs/dbraw/zinc/25/26/09/1067252609.db2.gz AGEOHGSLCXKLJW-KLGLLFHNSA-N 0 0 471.671 4.825 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnn(C)c2C)O1 ZINC001546044662 1067252749 /nfs/dbraw/zinc/25/27/49/1067252749.db2.gz DUXUXCLBGRFLHY-DMJCMNNJSA-N 0 0 470.593 4.583 20 0 JJADRN NC(=O)c1cccc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)c1 ZINC001459113320 1067253127 /nfs/dbraw/zinc/25/31/27/1067253127.db2.gz PIEUHWXLNOQGSF-UHFFFAOYSA-N 0 0 450.585 4.688 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)c1ccccc1I ZINC001459112357 1067253173 /nfs/dbraw/zinc/25/31/73/1067253173.db2.gz DFSQYBLGLJWDMM-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)O1 ZINC001546044429 1067253246 /nfs/dbraw/zinc/25/32/46/1067253246.db2.gz BDULAMXCCGSATQ-ZHRRBRCNSA-N 0 0 485.526 4.558 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)C[C@H](C)O1 ZINC001452798089 1067253287 /nfs/dbraw/zinc/25/32/87/1067253287.db2.gz NWLQFYGPCJCGSI-UGSOOPFHSA-N 0 0 454.375 4.688 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)O1 ZINC001546044512 1067253321 /nfs/dbraw/zinc/25/33/21/1067253321.db2.gz CBXDELGJMAHUDK-VVZHRXSXSA-N 0 0 466.630 4.716 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC001459114173 1067253420 /nfs/dbraw/zinc/25/34/20/1067253420.db2.gz HQDDQOYFXDZFKR-UHFFFAOYSA-N 0 0 457.911 4.571 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001459117302 1067253915 /nfs/dbraw/zinc/25/39/15/1067253915.db2.gz CRAWJLYTXAPWDU-NRFANRHFSA-N 0 0 456.325 4.820 20 0 JJADRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc2c(c(Br)c1)OCO2 ZINC001459117726 1067253969 /nfs/dbraw/zinc/25/39/69/1067253969.db2.gz ODAYHDDMTYKFTN-UHFFFAOYSA-N 0 0 456.680 4.741 20 0 JJADRN COC(=O)[C@](C)(NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001459117913 1067254507 /nfs/dbraw/zinc/25/45/07/1067254507.db2.gz DIEXLUNVDXYOIH-GOSISDBHSA-N 0 0 450.240 4.596 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1 ZINC001452815949 1067254966 /nfs/dbraw/zinc/25/49/66/1067254966.db2.gz NKGSOXHADXMJJT-JTSKRJEESA-N 0 0 451.567 4.578 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459119685 1067255037 /nfs/dbraw/zinc/25/50/37/1067255037.db2.gz RUTUILUJWXZIDM-OAHLLOKOSA-N 0 0 459.727 4.605 20 0 JJADRN COC(=O)[C@](C)(NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(Cl)c(Cl)c1 ZINC001459120026 1067255093 /nfs/dbraw/zinc/25/50/93/1067255093.db2.gz HLRGSNPWPWKBTO-YEJXKQKISA-N 0 0 455.769 4.678 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)c1ccc(Cl)c(Cl)c1 ZINC001459123281 1067255674 /nfs/dbraw/zinc/25/56/74/1067255674.db2.gz MFOLLPWTKPZFQP-FQEVSTJZSA-N 0 0 454.693 4.571 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001459123839 1067256132 /nfs/dbraw/zinc/25/61/32/1067256132.db2.gz ZCTPTBXMZMSFOZ-JOCHJYFZSA-N 0 0 457.615 4.937 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC001452832193 1067256142 /nfs/dbraw/zinc/25/61/42/1067256142.db2.gz VQDVLFIPSHEATP-DEOSSOPVSA-N 0 0 451.586 4.591 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001452826612 1067256172 /nfs/dbraw/zinc/25/61/72/1067256172.db2.gz CXWRQZMKRYSBEU-WMZHIEFXSA-N 0 0 452.599 4.849 20 0 JJADRN Cc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)n1-c1cc(C)ccc1C ZINC001452832242 1067256235 /nfs/dbraw/zinc/25/62/35/1067256235.db2.gz GSVGTAVJZSFZFZ-LJQANCHMSA-N 0 0 454.571 4.842 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)C(C)(C)C ZINC001459126754 1067256411 /nfs/dbraw/zinc/25/64/11/1067256411.db2.gz QTNYBOJCNPAQTE-FCHUYYIVSA-N 0 0 453.579 4.634 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)C(C)(C)C ZINC001459126769 1067256518 /nfs/dbraw/zinc/25/65/18/1067256518.db2.gz QTNYBOJCNPAQTE-FGZHOGPDSA-N 0 0 453.579 4.634 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)C(C)(C)C ZINC001459126794 1067256906 /nfs/dbraw/zinc/25/69/06/1067256906.db2.gz QTNYBOJCNPAQTE-YADHBBJMSA-N 0 0 453.579 4.634 20 0 JJADRN Cc1ccc(C2(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)CCC2)cc1 ZINC001452843393 1067257023 /nfs/dbraw/zinc/25/70/23/1067257023.db2.gz IBEITYCOMJKYSG-UHFFFAOYSA-N 0 0 456.514 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2csc(-c3ccccc3)n2)C[C@@H]1[C@@H]1CCCO1 ZINC001452840022 1067257071 /nfs/dbraw/zinc/25/70/71/1067257071.db2.gz JMFBVKRXGCOTAQ-OTWHNJEPSA-N 0 0 457.596 4.943 20 0 JJADRN CCc1ccncc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 ZINC001452861949 1067258042 /nfs/dbraw/zinc/25/80/42/1067258042.db2.gz KUQNVQUNXNIMRJ-UHFFFAOYSA-N 0 0 451.502 4.901 20 0 JJADRN COc1cc(CNC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)c(Br)cc1O ZINC001452869069 1067258560 /nfs/dbraw/zinc/25/85/60/1067258560.db2.gz YYWSBOOQWAYETB-UHFFFAOYSA-N 0 0 450.373 4.792 20 0 JJADRN C[C@H](Sc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001459139041 1067258905 /nfs/dbraw/zinc/25/89/05/1067258905.db2.gz FZRFNBWUUHIBOG-SFHVURJKSA-N 0 0 458.649 4.859 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC001452872343 1067259185 /nfs/dbraw/zinc/25/91/85/1067259185.db2.gz XNWIFTJTTFIATF-UHFFFAOYSA-N 0 0 455.599 4.535 20 0 JJADRN CCO[C@@H]1CN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452876647 1067259287 /nfs/dbraw/zinc/25/92/87/1067259287.db2.gz LCZVPOMEWHQRKD-HOYKHHGWSA-N 0 0 479.577 4.805 20 0 JJADRN CC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cc(F)cc(Br)c1 ZINC001459140584 1067259210 /nfs/dbraw/zinc/25/92/10/1067259210.db2.gz LDWYEUAZIADMFR-QGZVFWFLSA-N 0 0 454.727 4.652 20 0 JJADRN Cc1ccc(-c2ncccc2NC(=O)c2cc(S(C)(=O)=O)ccc2Br)s1 ZINC001459142081 1067259488 /nfs/dbraw/zinc/25/94/88/1067259488.db2.gz DBNUITSCHZRHMI-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(Cl)c2cc(Cl)ccc2n1)c1ccc(OC)c(F)c1 ZINC001459143384 1067259546 /nfs/dbraw/zinc/25/95/46/1067259546.db2.gz YJTBXPCOWBNXSO-IBGZPJMESA-N 0 0 451.281 4.724 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C(=O)NC)O1 ZINC001546045774 1067260099 /nfs/dbraw/zinc/26/00/99/1067260099.db2.gz SFZGRCREUPJNDC-ADLZZSLISA-N 0 0 496.681 4.543 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N(C)[C@@H](C)c3ccc(N4CCCS4(=O)=O)cc3)c2n1 ZINC001459145877 1067260646 /nfs/dbraw/zinc/26/06/46/1067260646.db2.gz DHTSQMKWIJOXFQ-INIZCTEOSA-N 0 0 457.983 4.570 20 0 JJADRN CC(C)c1ccc(OCC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC001459147067 1067261014 /nfs/dbraw/zinc/26/10/14/1067261014.db2.gz JBHBREXOGGCTCD-UHFFFAOYSA-N 0 0 458.514 4.503 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001452898510 1067261179 /nfs/dbraw/zinc/26/11/79/1067261179.db2.gz AAZIVNLLVVHSCY-PMXSJFBMSA-N 0 0 493.044 4.917 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)s3)C2)C1 ZINC001452899056 1067261259 /nfs/dbraw/zinc/26/12/59/1067261259.db2.gz BDTFDFCSQMRHBK-KZNAEPCWSA-N 0 0 450.645 4.970 20 0 JJADRN COc1cc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cc(Br)c1OC ZINC001459149143 1067261524 /nfs/dbraw/zinc/26/15/24/1067261524.db2.gz QWVHVBVZADOHAM-UHFFFAOYSA-N 0 0 450.354 4.862 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546045842 1067261730 /nfs/dbraw/zinc/26/17/30/1067261730.db2.gz UBBGYINVNLNZMB-DKYNXLSCSA-N 0 0 460.594 4.768 20 0 JJADRN CC(=O)c1ccc(OCC(=O)c2c[nH]c3ncc(Br)cc23)c(Br)c1 ZINC001459155292 1067263094 /nfs/dbraw/zinc/26/30/94/1067263094.db2.gz MATBDBRMHXXHCH-UHFFFAOYSA-N 0 0 452.102 4.552 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3cc(Br)cnc3Cl)CC2=O)cc1 ZINC001459155257 1067263102 /nfs/dbraw/zinc/26/31/02/1067263102.db2.gz DADKWDDGOANRGW-CQSZACIVSA-N 0 0 450.764 4.832 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc3ccccc3n1CC(F)(F)F)C2 ZINC001452917534 1067264097 /nfs/dbraw/zinc/26/40/97/1067264097.db2.gz AYVCMRVAHBZRMX-SBUREZEXSA-N 0 0 465.516 4.971 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)CC(C)C ZINC001452915299 1067264137 /nfs/dbraw/zinc/26/41/37/1067264137.db2.gz AQUHMTSIMCSOKK-IRMYBRCSSA-N 0 0 456.627 4.502 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@H](C)c3cccs3)nnc2-c2ccco2)cc1 ZINC001459162471 1067264021 /nfs/dbraw/zinc/26/40/21/1067264021.db2.gz NDYOMAYZSUMNSF-OAHLLOKOSA-N 0 0 454.577 4.957 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)CC(C)C ZINC001452923360 1067264583 /nfs/dbraw/zinc/26/45/83/1067264583.db2.gz LMRHLDXEBCJZPG-BURNTYAHSA-N 0 0 452.636 4.676 20 0 JJADRN CC(C)[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)Cc1ccccc1 ZINC001459163620 1067264593 /nfs/dbraw/zinc/26/45/93/1067264593.db2.gz QNHBOUKDLVHWIP-QFIPXVFZSA-N 0 0 452.982 4.825 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2C(=O)OC(C)(C)C)C1 ZINC001459163579 1067264600 /nfs/dbraw/zinc/26/46/00/1067264600.db2.gz MYEDBECEPNRGMY-RDTXWAMCSA-N 0 0 455.576 4.939 20 0 JJADRN CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(Cl)c1F ZINC001459164951 1067264676 /nfs/dbraw/zinc/26/46/76/1067264676.db2.gz PJWIHZNHBYLXIX-FQEVSTJZSA-N 0 0 453.963 4.883 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1csc(Nc3cc(F)cc(F)c3)n1)C2 ZINC001452919952 1067264678 /nfs/dbraw/zinc/26/46/78/1067264678.db2.gz ILNNPWLBUQTXQJ-PSLXWICFSA-N 0 0 478.565 4.932 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001452923216 1067264719 /nfs/dbraw/zinc/26/47/19/1067264719.db2.gz VKTWDACYTLSTBC-GOHWNWGWSA-N 0 0 479.662 4.567 20 0 JJADRN CC(C)(C)c1cccc(OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1Cl ZINC001459168708 1067265639 /nfs/dbraw/zinc/26/56/39/1067265639.db2.gz XNBXUIVVMROVIP-UHFFFAOYSA-N 0 0 457.014 4.756 20 0 JJADRN C[C@@H](CO)C1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001452940650 1067265981 /nfs/dbraw/zinc/26/59/81/1067265981.db2.gz ILYRJCAUYJUOBF-IFXJQAMLSA-N 0 0 459.414 4.768 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)c2c(O)cnc3c(Br)cccc32)cc1 ZINC001452946416 1067266085 /nfs/dbraw/zinc/26/60/85/1067266085.db2.gz YCASTUIDPNKTCC-MRXNPFEDSA-N 0 0 455.352 4.949 20 0 JJADRN O=C(OCc1cn(Cc2ccccc2)nn1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001459179373 1067266459 /nfs/dbraw/zinc/26/64/59/1067266459.db2.gz AMXYDDNKNJNJBY-UHFFFAOYSA-N 0 0 458.209 4.604 20 0 JJADRN O=C(c1cc2c(cncc2Br)s1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001452949923 1067266468 /nfs/dbraw/zinc/26/64/68/1067266468.db2.gz DLFVALTXLHPNRJ-LLVKDONJSA-N 0 0 457.275 4.845 20 0 JJADRN O=Cc1ccc(Br)cc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC001459179455 1067266542 /nfs/dbraw/zinc/26/65/42/1067266542.db2.gz LNXFGEQUMQNOOT-INIZCTEOSA-N 0 0 459.321 4.673 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001459180350 1067267003 /nfs/dbraw/zinc/26/70/03/1067267003.db2.gz ZFVIMMGQSZQWDZ-FOIQADDNSA-N 0 0 451.311 4.700 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H](C4CCCCC4)C3)ccc2C)cc1 ZINC001452952768 1067267188 /nfs/dbraw/zinc/26/71/88/1067267188.db2.gz KIBCTSUFRWHLJJ-OAQYLSRUSA-N 0 0 456.608 4.847 20 0 JJADRN Cc1nn(-c2ccccc2)c2nc(C(=O)N(C)[C@@H](CO)c3cccc(Cl)c3Cl)ccc12 ZINC001452952862 1067267248 /nfs/dbraw/zinc/26/72/48/1067267248.db2.gz CGHDFDYQDDKVIF-FQEVSTJZSA-N 0 0 455.345 4.841 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)cn21 ZINC001459184959 1067267791 /nfs/dbraw/zinc/26/77/91/1067267791.db2.gz AAEVZRCOXQKLKL-VPLQDYMCSA-N 0 0 451.958 4.539 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CS1(=O)=O ZINC001452965666 1067268538 /nfs/dbraw/zinc/26/85/38/1067268538.db2.gz QTZCNCQRFWNZRO-VVFCZOMOSA-N 0 0 458.432 4.909 20 0 JJADRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452963125 1067268553 /nfs/dbraw/zinc/26/85/53/1067268553.db2.gz UWUFHIIKASJCOP-RJCYBWKVSA-N 0 0 453.546 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001459187724 1067268568 /nfs/dbraw/zinc/26/85/68/1067268568.db2.gz LBBSYALTQBBHGI-IBGZPJMESA-N 0 0 459.449 4.902 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)OC[C@@H]3C)c2)cc1 ZINC001452963916 1067268606 /nfs/dbraw/zinc/26/86/06/1067268606.db2.gz VWYOTOSOZVYWHC-IBGZPJMESA-N 0 0 456.608 4.614 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001452964441 1067268624 /nfs/dbraw/zinc/26/86/24/1067268624.db2.gz WVBRSINXLWJFTE-HUUCEWRRSA-N 0 0 458.525 4.831 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459188610 1067269068 /nfs/dbraw/zinc/26/90/68/1067269068.db2.gz OECMSFOXQHSRCA-HSZRJFAPSA-N 0 0 459.424 4.526 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001452977440 1067269660 /nfs/dbraw/zinc/26/96/60/1067269660.db2.gz MTLIXALOAGAZGD-SJORKVTESA-N 0 0 455.418 4.547 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC001546107111 1067270471 /nfs/dbraw/zinc/27/04/71/1067270471.db2.gz APZXUEBWVYEOQP-UHFFFAOYSA-N 0 0 460.504 4.827 20 0 JJADRN Cc1ccc(C2=NN(C(=O)COc3cc(CO)cc(C(F)(F)F)c3)[C@H](c3ccco3)C2)cc1 ZINC001459199146 1067270551 /nfs/dbraw/zinc/27/05/51/1067270551.db2.gz USSGYLUCTUQNMM-NRFANRHFSA-N 0 0 458.436 4.856 20 0 JJADRN O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CCSC[C@H]1c1nccs1 ZINC001459199047 1067270574 /nfs/dbraw/zinc/27/05/74/1067270574.db2.gz AUYIVGAWMHPEPN-AWEZNQCLSA-N 0 0 451.499 4.626 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)c(I)c1)CC3 ZINC001452985670 1067270554 /nfs/dbraw/zinc/27/05/54/1067270554.db2.gz USCPOQWTJSENKD-UHFFFAOYSA-N 0 0 450.707 4.933 20 0 JJADRN Cn1cc([C@@H](NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c2ccc(F)cc2)cn1 ZINC001459203922 1067271105 /nfs/dbraw/zinc/27/11/05/1067271105.db2.gz LIWNYJLPFCLWDD-QHCPKHFHSA-N 0 0 454.958 4.708 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1 ZINC001459205636 1067271143 /nfs/dbraw/zinc/27/11/43/1067271143.db2.gz PQSSJEVIUHDBBE-WZONZLPQSA-N 0 0 457.592 4.946 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCSCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC001459204464 1067271158 /nfs/dbraw/zinc/27/11/58/1067271158.db2.gz BDRMVMHEPRQAMY-UHFFFAOYSA-N 0 0 459.538 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC(c3ccco3)CC2)CC1 ZINC001452991802 1067271202 /nfs/dbraw/zinc/27/12/02/1067271202.db2.gz SIQGJMWIUSHZCH-UHFFFAOYSA-N 0 0 453.583 4.867 20 0 JJADRN COC(=O)c1cc(Br)ccc1SCC(=O)c1cnc(N2CCCCC2)s1 ZINC001459209440 1067271514 /nfs/dbraw/zinc/27/15/14/1067271514.db2.gz DTNHOYMOOORVOI-UHFFFAOYSA-N 0 0 455.399 4.658 20 0 JJADRN C[C@H](C(=O)N1CCCc2c(Br)ccc(Cl)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001459207820 1067271530 /nfs/dbraw/zinc/27/15/30/1067271530.db2.gz DRXVITCCUFCQFA-LBPRGKRZSA-N 0 0 456.789 4.589 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993279 1067271586 /nfs/dbraw/zinc/27/15/86/1067271586.db2.gz HSQIIPKZXPWQDG-CQSZACIVSA-N 0 0 453.391 4.609 20 0 JJADRN O=C(c1cc(F)c(Br)cc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993103 1067271597 /nfs/dbraw/zinc/27/15/97/1067271597.db2.gz GCZXAGJWVYZOEF-UHFFFAOYSA-N 0 0 450.110 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1(C)C ZINC001452993700 1067271651 /nfs/dbraw/zinc/27/16/51/1067271651.db2.gz JJDQVXIAJQKWHQ-QAPCUYQASA-N 0 0 456.414 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1(C)C ZINC001452993687 1067271666 /nfs/dbraw/zinc/27/16/66/1067271666.db2.gz JJDQVXIAJQKWHQ-CRAIPNDOSA-N 0 0 456.414 4.581 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001452993309 1067271714 /nfs/dbraw/zinc/27/17/14/1067271714.db2.gz CYBGMPBPLZVBPW-CYBMUJFWSA-N 0 0 457.279 4.661 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3cnn(-c4ccccc4Cl)c3C(C)C)ccc21 ZINC001459213377 1067272266 /nfs/dbraw/zinc/27/22/66/1067272266.db2.gz XKOJFWSMRZPRCJ-UHFFFAOYSA-N 0 0 452.942 4.785 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC001452998117 1067272672 /nfs/dbraw/zinc/27/26/72/1067272672.db2.gz OZRCGUWUCVTXNT-NRFANRHFSA-N 0 0 454.876 4.592 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccc2ncsc2c1 ZINC001459225977 1067273202 /nfs/dbraw/zinc/27/32/02/1067273202.db2.gz ODHMQBUXCXWSPL-INIZCTEOSA-N 0 0 457.621 4.741 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](Cc3ccccn3)c3ccc(Br)cc3)cc12 ZINC001459225255 1067273217 /nfs/dbraw/zinc/27/32/17/1067273217.db2.gz LXJZBMUPBBRYQL-GOSISDBHSA-N 0 0 455.381 4.815 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001452998444 1067273291 /nfs/dbraw/zinc/27/32/91/1067273291.db2.gz NDCYTZOWCWIMAW-IKGGRYGDSA-N 0 0 457.279 4.733 20 0 JJADRN CC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)[C@@H]1C ZINC001459225917 1067273253 /nfs/dbraw/zinc/27/32/53/1067273253.db2.gz MSTDERWGQOCUHK-SMSYUXSASA-N 0 0 450.579 4.835 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001452999040 1067273719 /nfs/dbraw/zinc/27/37/19/1067273719.db2.gz OEAIXEAHNUVPHF-SFHVURJKSA-N 0 0 453.464 4.705 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC001459227012 1067273911 /nfs/dbraw/zinc/27/39/11/1067273911.db2.gz GPUQHASVIZIVSB-JKSUJKDBSA-N 0 0 457.434 4.531 20 0 JJADRN CC[C@@H](CN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 ZINC001459230004 1067274308 /nfs/dbraw/zinc/27/43/08/1067274308.db2.gz SBAPEOALRIGRRW-QFIPXVFZSA-N 0 0 456.652 4.746 20 0 JJADRN CC1CC(C(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)(c2cccc(Cl)c2)C1 ZINC001453003410 1067274415 /nfs/dbraw/zinc/27/44/15/1067274415.db2.gz YGQBSUWDUJJOIN-PYGWLIJMSA-N 0 0 450.888 4.644 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC001459232066 1067274734 /nfs/dbraw/zinc/27/47/34/1067274734.db2.gz XLFCQAKDBILHQY-AWEZNQCLSA-N 0 0 452.546 4.832 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cnc1Br ZINC001453029976 1067275079 /nfs/dbraw/zinc/27/50/79/1067275079.db2.gz HGEAPINYPSFHCY-BLLLJJGKSA-N 0 0 454.162 4.517 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1Br ZINC001459233687 1067275094 /nfs/dbraw/zinc/27/50/94/1067275094.db2.gz AHIYXNUGPPMSBQ-UHFFFAOYSA-N 0 0 455.308 4.716 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCN(c2ccccc2)C1 ZINC001459232957 1067275141 /nfs/dbraw/zinc/27/51/41/1067275141.db2.gz YQMLOPBHUXUBQM-XXBNENTESA-N 0 0 450.380 4.771 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1 ZINC001459232954 1067275176 /nfs/dbraw/zinc/27/51/76/1067275176.db2.gz YQMLOPBHUXUBQM-WMZHIEFXSA-N 0 0 450.380 4.771 20 0 JJADRN O=C(c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)N1CC[C@H](O)C(F)(F)C1 ZINC001453045187 1067275535 /nfs/dbraw/zinc/27/55/35/1067275535.db2.gz RHLFAJWUGOCDNU-KRWDZBQOSA-N 0 0 458.317 4.750 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C3CC(C)(C)CC(C)(C)C3)cc(C(C)C)nc21 ZINC001453059586 1067276069 /nfs/dbraw/zinc/27/60/69/1067276069.db2.gz PFPAZIZPNCCQLL-UHFFFAOYSA-N 0 0 456.631 4.953 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001453075118 1067277190 /nfs/dbraw/zinc/27/71/90/1067277190.db2.gz PVCGPDZCPMXYTQ-CQSZACIVSA-N 0 0 457.434 4.883 20 0 JJADRN COc1cc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc2c1OCCO2 ZINC001459246282 1067277117 /nfs/dbraw/zinc/27/71/17/1067277117.db2.gz UIXZNMPCWQBSPO-QGZVFWFLSA-N 0 0 450.304 4.639 20 0 JJADRN Cc1cc(C(=O)CCC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(C)s1 ZINC001453077338 1067277642 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MPZOUWNYQXQUIZ-JOIKAWEESA-N 0 0 454.615 4.644 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](COC)C2)O1 ZINC001546047679 1067278782 /nfs/dbraw/zinc/27/87/82/1067278782.db2.gz BUJCOCSLDBHUEK-GEQKSPFYSA-N 0 0 477.447 4.836 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccnc(Cl)c2Cl)C1 ZINC001453116086 1067279849 /nfs/dbraw/zinc/27/98/49/1067279849.db2.gz QGRXURXGFOOUGY-NVXWUHKLSA-N 0 0 450.366 4.911 20 0 JJADRN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)c1ccc2ncc(I)n2c1 ZINC001459266995 1067279999 /nfs/dbraw/zinc/27/99/99/1067279999.db2.gz HZTUTFRVMPFVAJ-UHFFFAOYSA-N 0 0 451.283 4.519 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)CCCOC)O1 ZINC001546047815 1067280867 /nfs/dbraw/zinc/28/08/67/1067280867.db2.gz DTCLBPGLWKNWAH-HTAPYJJXSA-N 0 0 481.435 4.537 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)=NN1c1ccccc1 ZINC001459274548 1067280971 /nfs/dbraw/zinc/28/09/71/1067280971.db2.gz XMLHQGOCNPEVGF-JOCHJYFZSA-N 0 0 453.558 4.929 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)Cc1ccc(C)c(Br)c1 ZINC001459278067 1067281457 /nfs/dbraw/zinc/28/14/57/1067281457.db2.gz RRWBTPIPMCYYKK-JOCHJYFZSA-N 0 0 454.364 4.744 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOc2ccccc2)O1 ZINC001546047842 1067281517 /nfs/dbraw/zinc/28/15/17/1067281517.db2.gz FAVVVVSDUWOJSS-XXBNENTESA-N 0 0 488.430 4.899 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(OC)cc(OC)c2)O1 ZINC001546047873 1067281926 /nfs/dbraw/zinc/28/19/26/1067281926.db2.gz FNMDWAXYRUXSCQ-KBMIEXCESA-N 0 0 486.016 4.995 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001546107770 1067282592 /nfs/dbraw/zinc/28/25/92/1067282592.db2.gz YFPBYKGUHDGWPH-FQEVSTJZSA-N 0 0 482.629 4.641 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)n2)cc1 ZINC001459288018 1067282945 /nfs/dbraw/zinc/28/29/45/1067282945.db2.gz NJYLDSAWSMFWIM-UHFFFAOYSA-N 0 0 454.246 4.974 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H]3C[C@H](OCc4ccccc4)C3(C)C)cs2)cc1OC ZINC001459287775 1067283120 /nfs/dbraw/zinc/28/31/20/1067283120.db2.gz MXGIPOXKLXJZIH-VXKWHMMOSA-N 0 0 452.576 4.941 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@](C)(OC)CC2)O1 ZINC001546047977 1067283691 /nfs/dbraw/zinc/28/36/91/1067283691.db2.gz GTTACYFVOZBXAR-CDNPAEQRSA-N 0 0 494.478 4.789 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)O1 ZINC001546047981 1067283697 /nfs/dbraw/zinc/28/36/97/1067283697.db2.gz GUAOIIFOBATENH-FDDCHVKYSA-N 0 0 477.447 4.918 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(OC)CC2)O1 ZINC001546047978 1067283798 /nfs/dbraw/zinc/28/37/98/1067283798.db2.gz GTTACYFVOZBXAR-NMNUPHIUSA-N 0 0 494.478 4.789 20 0 JJADRN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc(F)ccc1I ZINC001459293168 1067283993 /nfs/dbraw/zinc/28/39/93/1067283993.db2.gz ZLPPCJAQVAOFKM-UHFFFAOYSA-N 0 0 453.295 4.547 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001459292411 1067284082 /nfs/dbraw/zinc/28/40/82/1067284082.db2.gz ANBVAAGNBGDEHO-OAQYLSRUSA-N 0 0 457.409 4.651 20 0 JJADRN Cc1c(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)cnn1-c1cccc(Br)c1 ZINC001459295261 1067284311 /nfs/dbraw/zinc/28/43/11/1067284311.db2.gz CUNNZMAJLOBLOX-HNNXBMFYSA-N 0 0 459.413 4.524 20 0 JJADRN Cc1cc(C2CCN(C(=O)Cc3cccc(N4CCCC4=O)c3)CC2)ccc1Br ZINC001459294470 1067284446 /nfs/dbraw/zinc/28/44/46/1067284446.db2.gz FCPWFPPAOZWYFB-UHFFFAOYSA-N 0 0 455.396 4.833 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC=C(Br)C2)O1 ZINC001546048040 1067284805 /nfs/dbraw/zinc/28/48/05/1067284805.db2.gz HDYSJYKSJPNVIR-WZONZLPQSA-N 0 0 491.430 4.799 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC=C(Br)C2)O1 ZINC001546048038 1067284847 /nfs/dbraw/zinc/28/48/47/1067284847.db2.gz HDYSJYKSJPNVIR-JPYJTQIMSA-N 0 0 491.430 4.799 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)O1 ZINC001546048050 1067284911 /nfs/dbraw/zinc/28/49/11/1067284911.db2.gz HLCXDSIIOUDUID-IATMXGELSA-N 0 0 488.076 4.935 20 0 JJADRN Cn1cc(CCNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c2ccc(F)cc21 ZINC001459295672 1067284877 /nfs/dbraw/zinc/28/48/77/1067284877.db2.gz DHVVKNWGYHGQOV-UHFFFAOYSA-N 0 0 457.549 4.662 20 0 JJADRN CCCN1CCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)C(C)(C)C1=O ZINC001459295639 1067284928 /nfs/dbraw/zinc/28/49/28/1067284928.db2.gz KFNUNDLQBRJZAD-UHFFFAOYSA-N 0 0 453.633 4.941 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc2c(c1)OCCO2 ZINC001459297622 1067285283 /nfs/dbraw/zinc/28/52/83/1067285283.db2.gz MPVNZMCREHFKQO-NRFANRHFSA-N 0 0 452.551 4.931 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)OCc3ccc(C(F)(F)C(F)(F)F)cc3)CC(=O)N2C)cc1 ZINC001459297782 1067285503 /nfs/dbraw/zinc/28/55/03/1067285503.db2.gz HMUQFFYLTFFBLA-IEBWSBKVSA-N 0 0 457.395 4.612 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)ccc21 ZINC001459299251 1067286404 /nfs/dbraw/zinc/28/64/04/1067286404.db2.gz VUQLPOKFEPGCPJ-UHFFFAOYSA-N 0 0 457.958 4.503 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C(C)C)C2)O1 ZINC001546048184 1067286479 /nfs/dbraw/zinc/28/64/79/1067286479.db2.gz JEDBMISZEPRAHR-ZRCGQRJVSA-N 0 0 477.447 4.917 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001459299538 1067286518 /nfs/dbraw/zinc/28/65/18/1067286518.db2.gz XNJNGLMMXLAXMH-JOCHJYFZSA-N 0 0 452.551 4.981 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C(C)C)C2)O1 ZINC001546048243 1067287080 /nfs/dbraw/zinc/28/70/80/1067287080.db2.gz JWDSOEVHXXECID-VWKPWSFCSA-N 0 0 483.476 4.978 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)OCc1ccc(Cl)cc1Br)NC(C)=O ZINC001459301090 1067287448 /nfs/dbraw/zinc/28/74/48/1067287448.db2.gz YPXLLZMQTDHEMT-GOSISDBHSA-N 0 0 454.748 4.812 20 0 JJADRN O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001459301075 1067287477 /nfs/dbraw/zinc/28/74/77/1067287477.db2.gz YNADHAYUQMVJDT-INIZCTEOSA-N 0 0 459.386 4.614 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@H]2Cc2ccccc2OC)ccc1C ZINC001459301256 1067287484 /nfs/dbraw/zinc/28/74/84/1067287484.db2.gz OVSDPDPNNNYUGZ-NZQKXSOJSA-N 0 0 459.608 4.602 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)cc2)no1 ZINC001459302741 1067287878 /nfs/dbraw/zinc/28/78/78/1067287878.db2.gz JTWUGWBUZMVAFR-LJQANCHMSA-N 0 0 457.914 4.811 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c2ccccc12 ZINC001459304387 1067288231 /nfs/dbraw/zinc/28/82/31/1067288231.db2.gz RAOKIGCOVJTBBC-KRWDZBQOSA-N 0 0 456.926 4.668 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)CC(=O)NC(C)(C)C)O1 ZINC001546048402 1067288251 /nfs/dbraw/zinc/28/82/51/1067288251.db2.gz LODJBXKZYDUBIN-QKSGUBBWSA-N 0 0 487.714 4.830 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1C(F)F ZINC001459305294 1067288392 /nfs/dbraw/zinc/28/83/92/1067288392.db2.gz WFSOBZNKUWHPCZ-UHFFFAOYSA-N 0 0 456.415 4.801 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)Nc2nc3ccc(I)cc3s2)c1 ZINC001459305233 1067288681 /nfs/dbraw/zinc/28/86/81/1067288681.db2.gz NWUBHIXROSUBAQ-UHFFFAOYSA-N 0 0 451.289 4.502 20 0 JJADRN COc1ccc(SCC(=O)Nc2nc3ccc(I)cc3s2)cc1 ZINC001459306074 1067288696 /nfs/dbraw/zinc/28/86/96/1067288696.db2.gz SOHVYHRRBDFKHK-UHFFFAOYSA-N 0 0 456.330 4.640 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CCSc1ccccc1Br ZINC001459305826 1067288723 /nfs/dbraw/zinc/28/87/23/1067288723.db2.gz RDUHYJPYOIAPDF-GOSISDBHSA-N 0 0 450.398 4.564 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)c1cccc([C@@H]2CCOC2)c1 ZINC001459306176 1067289218 /nfs/dbraw/zinc/28/92/18/1067289218.db2.gz UGBOSXMVHLHOKZ-CYBMUJFWSA-N 0 0 450.301 4.657 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048553 1067289270 /nfs/dbraw/zinc/28/92/70/1067289270.db2.gz NQDFERGJTLYMIJ-QRWLVFNGSA-N 0 0 468.465 4.715 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC001459307177 1067289305 /nfs/dbraw/zinc/28/93/05/1067289305.db2.gz RCKCPDVFOOHSLX-MGPUTAFESA-N 0 0 451.792 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1sc3cc(Cl)ccc3c1Cl)CO2 ZINC001453220402 1067289746 /nfs/dbraw/zinc/28/97/46/1067289746.db2.gz DKRQFNCXMNWGEV-GFCCVEGCSA-N 0 0 457.379 4.716 20 0 JJADRN CC(C)Nc1ccc(Cl)cc1NC(=O)c1cccn2c(I)cnc12 ZINC001453215539 1067289804 /nfs/dbraw/zinc/28/98/04/1067289804.db2.gz SPHHFTICGRYEIG-UHFFFAOYSA-N 0 0 454.699 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@]3(C)Cc3ccccc3Cl)c2C1 ZINC001453226199 1067290238 /nfs/dbraw/zinc/29/02/38/1067290238.db2.gz MHFVTMIRGRFFPQ-XMMPIXPASA-N 0 0 458.990 4.594 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001453226572 1067290261 /nfs/dbraw/zinc/29/02/61/1067290261.db2.gz KAEWDLHWSLZNII-JOCHJYFZSA-N 0 0 454.567 4.994 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@@H](C)CC(N)=O)O1 ZINC001546048634 1067290318 /nfs/dbraw/zinc/29/03/18/1067290318.db2.gz OLPBNJMTVYXCIB-RSLCBRBSSA-N 0 0 485.629 4.861 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546048636 1067290391 /nfs/dbraw/zinc/29/03/91/1067290391.db2.gz OLWPJLZUKGLBSX-JIPXPUAJSA-N 0 0 494.640 4.860 20 0 JJADRN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001459310758 1067290466 /nfs/dbraw/zinc/29/04/66/1067290466.db2.gz FLAFUOKKVBVAOV-UHFFFAOYSA-N 0 0 455.308 4.782 20 0 JJADRN CCC(O)(CC)C(C)(C)CNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001453230878 1067290792 /nfs/dbraw/zinc/29/07/92/1067290792.db2.gz YWRNERTZLTZOTJ-INIZCTEOSA-N 0 0 459.412 4.944 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001459313199 1067290899 /nfs/dbraw/zinc/29/08/99/1067290899.db2.gz BEPDERIPUOCECZ-DEOSSOPVSA-N 0 0 451.998 4.911 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCOc4ccc(Br)cc43)n[nH]2)c1C ZINC001453259583 1067291258 /nfs/dbraw/zinc/29/12/58/1067291258.db2.gz MRSZHJYBOVNKSA-GFCCVEGCSA-N 0 0 458.360 4.663 20 0 JJADRN COCCC1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC001459313618 1067291464 /nfs/dbraw/zinc/29/14/64/1067291464.db2.gz JAVJUVIYWPUJFX-GOSISDBHSA-N 0 0 455.426 4.949 20 0 JJADRN O=C(c1cc(F)ccc1F)C1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001459314329 1067291481 /nfs/dbraw/zinc/29/14/81/1067291481.db2.gz QNAVJKGDWLXHTJ-HXUWFJFHSA-N 0 0 452.423 4.684 20 0 JJADRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001459314371 1067291506 /nfs/dbraw/zinc/29/15/06/1067291506.db2.gz OQHBPKISTWYTGO-MDASCCDHSA-N 0 0 467.418 4.856 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1Br ZINC001459315956 1067292118 /nfs/dbraw/zinc/29/21/18/1067292118.db2.gz RXPUJGPCWPTJMV-LBPRGKRZSA-N 0 0 456.768 4.722 20 0 JJADRN COC(=O)c1sc2[nH]c(CN(Cc3ccc(Cl)c(Cl)c3)C(C)C)nc(=O)c2c1C ZINC001459316620 1067292195 /nfs/dbraw/zinc/29/21/95/1067292195.db2.gz ALXPSOFWUYFLCR-UHFFFAOYSA-N 0 0 454.379 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(Oc3ccccc3Cl)cc1)CO2 ZINC001453267687 1067292391 /nfs/dbraw/zinc/29/23/91/1067292391.db2.gz ZPWJVWNOBBZVJV-KRWDZBQOSA-N 0 0 458.942 4.641 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)CC2)n1 ZINC001453279337 1067293018 /nfs/dbraw/zinc/29/30/18/1067293018.db2.gz JCBJOMSNTUCAGH-UHFFFAOYSA-N 0 0 454.562 4.626 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1ccc2cc(OC)c(OC)cc2c1 ZINC001459317827 1067293026 /nfs/dbraw/zinc/29/30/26/1067293026.db2.gz AFKZDBGEYXTFCJ-DEOSSOPVSA-N 0 0 457.526 4.914 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001459317905 1067293039 /nfs/dbraw/zinc/29/30/39/1067293039.db2.gz BRIPAUPKEPTHSH-HSZRJFAPSA-N 0 0 459.933 4.854 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001459317908 1067293086 /nfs/dbraw/zinc/29/30/86/1067293086.db2.gz BRIPAUPKEPTHSH-QHCPKHFHSA-N 0 0 459.933 4.854 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453285410 1067293487 /nfs/dbraw/zinc/29/34/87/1067293487.db2.gz BMGMQVMPETZWSJ-VQTJNVASSA-N 0 0 465.571 4.597 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453281975 1067293685 /nfs/dbraw/zinc/29/36/85/1067293685.db2.gz KVVOTJBTILRARM-PGRDOPGGSA-N 0 0 456.995 4.543 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3cc(F)ccc3I)CC2)cc1 ZINC001459324743 1067294957 /nfs/dbraw/zinc/29/49/57/1067294957.db2.gz LPJAEPNWVVDQAT-UHFFFAOYSA-N 0 0 452.311 4.516 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cc(F)c(Br)cc2C)cs1 ZINC001459324676 1067294983 /nfs/dbraw/zinc/29/49/83/1067294983.db2.gz IWWSBBGVBQCVDI-UHFFFAOYSA-N 0 0 452.305 4.688 20 0 JJADRN O=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(-n2cccn2)ccn1 ZINC001459325090 1067295319 /nfs/dbraw/zinc/29/53/19/1067295319.db2.gz QWPMUMYCJFZNMP-UHFFFAOYSA-N 0 0 450.930 4.504 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CO)CC2)O1 ZINC001546049258 1067295338 /nfs/dbraw/zinc/29/53/38/1067295338.db2.gz XQPWDXFXSBHYRP-VGSWGCGISA-N 0 0 453.414 4.808 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSCC2)O1 ZINC001546049381 1067296307 /nfs/dbraw/zinc/29/63/07/1067296307.db2.gz YTNVIGVLBNQJDF-QRWLVFNGSA-N 0 0 469.424 4.748 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)ccc21 ZINC001459330948 1067296396 /nfs/dbraw/zinc/29/63/96/1067296396.db2.gz PANXMYDTIZGXOV-UHFFFAOYSA-N 0 0 457.741 4.590 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)O1 ZINC001546049391 1067296411 /nfs/dbraw/zinc/29/64/11/1067296411.db2.gz YYCXZGHQJRAGLW-ATIYNZHBSA-N 0 0 464.614 4.851 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)cc1 ZINC001459328753 1067296431 /nfs/dbraw/zinc/29/64/31/1067296431.db2.gz MWWIPNKGBVWUPQ-UHFFFAOYSA-N 0 0 457.574 4.891 20 0 JJADRN Cc1cc(CNC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccccc1 ZINC001459331126 1067296443 /nfs/dbraw/zinc/29/64/43/1067296443.db2.gz VHLACCIXBNPICV-UHFFFAOYSA-N 0 0 451.588 4.931 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC001459330641 1067296601 /nfs/dbraw/zinc/29/66/01/1067296601.db2.gz HTEDQUDLUKMBLY-UHFFFAOYSA-N 0 0 459.930 4.636 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC001459331363 1067296956 /nfs/dbraw/zinc/29/69/56/1067296956.db2.gz LTHNXBRSNQMYRK-UZLBHIALSA-N 0 0 454.514 4.705 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)CC2 ZINC001459331955 1067296964 /nfs/dbraw/zinc/29/69/64/1067296964.db2.gz QTFINHNNQBNSKP-VXKWHMMOSA-N 0 0 455.396 4.867 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC001459331361 1067296988 /nfs/dbraw/zinc/29/69/88/1067296988.db2.gz LTHNXBRSNQMYRK-OXQOHEQNSA-N 0 0 454.514 4.705 20 0 JJADRN Cn1ncc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1-c1ccccc1 ZINC001453320721 1067297194 /nfs/dbraw/zinc/29/71/94/1067297194.db2.gz FGVKKOLBWAUTSV-NRFANRHFSA-N 0 0 452.599 4.586 20 0 JJADRN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC001459333359 1067297507 /nfs/dbraw/zinc/29/75/07/1067297507.db2.gz KFKILKSJMPQWBZ-UHFFFAOYSA-N 0 0 458.562 4.902 20 0 JJADRN Cn1cc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(-c2cccs2)n1 ZINC001453328825 1067297692 /nfs/dbraw/zinc/29/76/92/1067297692.db2.gz DEIKSHYBRAKNDB-GOSISDBHSA-N 0 0 458.628 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(OC(F)F)c(F)c3)CC2)C1 ZINC001453327823 1067297782 /nfs/dbraw/zinc/29/77/82/1067297782.db2.gz SASOVSLYLOWEGR-KRWDZBQOSA-N 0 0 456.505 4.926 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001459338126 1067298013 /nfs/dbraw/zinc/29/80/13/1067298013.db2.gz RMFSAMCAYVZIPF-UHFFFAOYSA-N 0 0 451.013 4.576 20 0 JJADRN Cc1nc(CSCC(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cs1 ZINC001453334998 1067298554 /nfs/dbraw/zinc/29/85/54/1067298554.db2.gz IMRKDFYRTKVCGI-GOSISDBHSA-N 0 0 453.674 4.570 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(Oc3cc(C)ccc3C)CC2)c(OC)c1 ZINC001459344537 1067298893 /nfs/dbraw/zinc/29/88/93/1067298893.db2.gz MEMJMTIOGYVVBY-DEOSSOPVSA-N 0 0 452.595 4.528 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)[nH]n2)cc1 ZINC001453341704 1067299436 /nfs/dbraw/zinc/29/94/36/1067299436.db2.gz SJXNUHPGSYSPLL-OAQYLSRUSA-N 0 0 452.599 4.884 20 0 JJADRN Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC001453344187 1067299590 /nfs/dbraw/zinc/29/95/90/1067299590.db2.gz YGTKNUMJVVUXRC-LJQANCHMSA-N 0 0 454.571 4.544 20 0 JJADRN Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001459348848 1067299999 /nfs/dbraw/zinc/29/99/99/1067299999.db2.gz QKPQAVABAVQQFH-XMMPIXPASA-N 0 0 452.551 4.743 20 0 JJADRN C[C@]12CCN(C(=O)C(F)(F)c3ccc(Cl)cc3)C[C@H]1C2(Br)Br ZINC001453354921 1067300054 /nfs/dbraw/zinc/30/00/54/1067300054.db2.gz JEJVJTDDORRLQH-YPMHNXCESA-N 0 0 457.540 4.786 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)[C@@H](C)C(=O)OC(C)(C)C ZINC001453357644 1067300399 /nfs/dbraw/zinc/30/03/99/1067300399.db2.gz NQXGIMHZHPVWOQ-HNNXBMFYSA-N 0 0 454.398 4.917 20 0 JJADRN COc1ccc(S[C@@H](C)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001453357768 1067300423 /nfs/dbraw/zinc/30/04/23/1067300423.db2.gz OEYBLHOQUIEOPF-PEYYIBSZSA-N 0 0 463.235 4.530 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC001453358205 1067300474 /nfs/dbraw/zinc/30/04/74/1067300474.db2.gz BXGJMPDDCZMUMU-UHFFFAOYSA-N 0 0 453.848 4.591 20 0 JJADRN CCN(CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)Cc1ccccc1Cl ZINC001453363914 1067300839 /nfs/dbraw/zinc/30/08/39/1067300839.db2.gz FPSDEXXIJHWZOL-WBVHZDCISA-N 0 0 478.656 4.516 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)c2)n1 ZINC001453360013 1067300915 /nfs/dbraw/zinc/30/09/15/1067300915.db2.gz VHRMIXSNKYOYMN-MJGOQNOKSA-N 0 0 481.232 4.516 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)C1 ZINC001453370220 1067301447 /nfs/dbraw/zinc/30/14/47/1067301447.db2.gz SSHIPFAYPHIGDB-ZWKOTPCHSA-N 0 0 450.457 4.811 20 0 JJADRN C[C@]12CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]1C2(Br)Br ZINC001453366013 1067301504 /nfs/dbraw/zinc/30/15/04/1067301504.db2.gz KEIVCJRWTZDXTA-NHIYQJMISA-N 0 0 492.049 4.907 20 0 JJADRN FC(F)(F)COc1cccc(CN2CCCN(c3nccs3)CC2)c1Br ZINC001459354413 1067301566 /nfs/dbraw/zinc/30/15/66/1067301566.db2.gz MXDGJQHGWVFUGX-UHFFFAOYSA-N 0 0 450.324 4.559 20 0 JJADRN COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001459353929 1067301620 /nfs/dbraw/zinc/30/16/20/1067301620.db2.gz WQTDGCXQKPRKCU-QZTJIDSGSA-N 0 0 458.274 4.756 20 0 JJADRN CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC001453375544 1067301850 /nfs/dbraw/zinc/30/18/50/1067301850.db2.gz LUJUHJZAYMCYGL-UHFFFAOYSA-N 0 0 455.393 4.564 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(CCC(C)C)s3)cc2)cc1C ZINC001453377668 1067302078 /nfs/dbraw/zinc/30/20/78/1067302078.db2.gz RBJLXAQEPWLMEY-UHFFFAOYSA-N 0 0 458.609 4.797 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001459356637 1067302258 /nfs/dbraw/zinc/30/22/58/1067302258.db2.gz WVGDZCRBTGZUKR-VWLOTQADSA-N 0 0 459.619 4.592 20 0 JJADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC001459361205 1067303022 /nfs/dbraw/zinc/30/30/22/1067303022.db2.gz BINZAYRLYQNDSU-MRXNPFEDSA-N 0 0 454.995 4.760 20 0 JJADRN Cc1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CN(C(=O)OC(C)(C)C)CCO4)cc3)n[nH]2)o1 ZINC001453393271 1067303211 /nfs/dbraw/zinc/30/32/11/1067303211.db2.gz DDZVNYNHTYMOCL-OAQYLSRUSA-N 0 0 452.511 4.539 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 ZINC001459364017 1067303322 /nfs/dbraw/zinc/30/33/22/1067303322.db2.gz DRLKIAFGPSVCSE-UHFFFAOYSA-N 0 0 451.573 4.819 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC001453396035 1067303966 /nfs/dbraw/zinc/30/39/66/1067303966.db2.gz FPPMHFPQKXYDJS-LJQANCHMSA-N 0 0 457.372 4.836 20 0 JJADRN Cn1cc(-c2ccc(C(=O)N(Cc3ccncc3)c3ccc(F)c(Br)c3)o2)cn1 ZINC001459367052 1067304288 /nfs/dbraw/zinc/30/42/88/1067304288.db2.gz ISICOFZENWQDLC-UHFFFAOYSA-N 0 0 455.287 4.824 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)C3(c4cccnc4)CCCC3)cc2)C1 ZINC001453400376 1067304538 /nfs/dbraw/zinc/30/45/38/1067304538.db2.gz NDBKUPYQTTVTIT-JOCHJYFZSA-N 0 0 451.567 4.841 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c1 ZINC001459367260 1067304906 /nfs/dbraw/zinc/30/49/06/1067304906.db2.gz OMOYGZDNSOAVDJ-LJQANCHMSA-N 0 0 453.564 4.881 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)CC1 ZINC001459368292 1067304979 /nfs/dbraw/zinc/30/49/79/1067304979.db2.gz VOYYQHUEXPNXFE-SFHVURJKSA-N 0 0 452.555 4.626 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)O1 ZINC001546050786 1067304914 /nfs/dbraw/zinc/30/49/14/1067304914.db2.gz BMUIWODALSMFPV-SXSPYAJSSA-N 0 0 481.563 4.526 20 0 JJADRN O=C(c1csc(-c2ncc[nH]2)n1)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459372377 1067305718 /nfs/dbraw/zinc/30/57/18/1067305718.db2.gz VHEUSEYUAQTRLB-UHFFFAOYSA-N 0 0 458.316 4.677 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453436444 1067306165 /nfs/dbraw/zinc/30/61/65/1067306165.db2.gz HCEACBAWYLEZDA-HXUWFJFHSA-N 0 0 453.564 4.512 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)O1 ZINC001546050965 1067306243 /nfs/dbraw/zinc/30/62/43/1067306243.db2.gz DXURFVBTLRMSIT-BVZFJXPGSA-N 0 0 487.551 4.934 20 0 JJADRN COCCN(CC(=O)N[C@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373358 1067306366 /nfs/dbraw/zinc/30/63/66/1067306366.db2.gz BEOAVSMRQLMKAD-HZPDHXFCSA-N 0 0 458.471 4.740 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCOc2ccccc2OC)O1 ZINC001546051072 1067306693 /nfs/dbraw/zinc/30/66/93/1067306693.db2.gz GKTVCAAKMABOKS-FNZWTVRRSA-N 0 0 465.598 4.520 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546051284 1067306718 /nfs/dbraw/zinc/30/67/18/1067306718.db2.gz IVNMZTYOQGXWGQ-HFZDXXHNSA-N 0 0 453.631 4.893 20 0 JJADRN O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc2c(c(Br)c1)OCO2 ZINC001459373741 1067306742 /nfs/dbraw/zinc/30/67/42/1067306742.db2.gz KNSVAUFBKMECTM-UHFFFAOYSA-N 0 0 450.182 4.900 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CCOc2ccccc2OC)O1 ZINC001546051074 1067306849 /nfs/dbraw/zinc/30/68/49/1067306849.db2.gz GKTVCAAKMABOKS-IBVKSMDESA-N 0 0 465.598 4.520 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC001459375531 1067306947 /nfs/dbraw/zinc/30/69/47/1067306947.db2.gz LPHXDLOBNUGZOJ-GOSISDBHSA-N 0 0 455.396 4.920 20 0 JJADRN CC(C)c1c(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cnn1-c1ccccc1Cl ZINC001459375643 1067306973 /nfs/dbraw/zinc/30/69/73/1067306973.db2.gz JXIUVQMJQJMWLZ-GOSISDBHSA-N 0 0 452.986 4.941 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)C2)c1 ZINC001453472780 1067307624 /nfs/dbraw/zinc/30/76/24/1067307624.db2.gz CGHZROGKOBNFFO-XMMPIXPASA-N 0 0 456.612 4.503 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC001459378919 1067307844 /nfs/dbraw/zinc/30/78/44/1067307844.db2.gz QXBOCRWCZFBFDX-SFHVURJKSA-N 0 0 458.649 4.612 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H](c4cccc(F)c4)OCC3(C)C)[nH]n2)c1C ZINC001453480019 1067308156 /nfs/dbraw/zinc/30/81/56/1067308156.db2.gz RWYOZAGCTHEZAQ-OYHNWAKOSA-N 0 0 453.562 4.992 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480374 1067308222 /nfs/dbraw/zinc/30/82/22/1067308222.db2.gz VCMFJVSYTQZGHI-SIBVEZHUSA-N 0 0 458.599 4.685 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480403 1067308250 /nfs/dbraw/zinc/30/82/50/1067308250.db2.gz VNFJEJPVYMNKCY-RUZDIDTESA-N 0 0 454.498 4.813 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1cc(-c2cncc(F)c2)ccc1C)c1cccc(Br)c1 ZINC001459379247 1067308195 /nfs/dbraw/zinc/30/81/95/1067308195.db2.gz UYRRQGRVQWHBPU-NRFANRHFSA-N 0 0 456.315 4.775 20 0 JJADRN O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC001459379353 1067308269 /nfs/dbraw/zinc/30/82/69/1067308269.db2.gz XGZJEJALXHWDMN-UHFFFAOYSA-N 0 0 452.360 4.835 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001453480632 1067308383 /nfs/dbraw/zinc/30/83/83/1067308383.db2.gz UASVZAJEMFJAAH-INIZCTEOSA-N 0 0 457.568 4.597 20 0 JJADRN CC(C)(CNC(=O)c1cc(I)ccc1N1CCCCC1)C(F)(F)F ZINC001459381151 1067308441 /nfs/dbraw/zinc/30/84/41/1067308441.db2.gz ZGJPTPVILHQAIP-UHFFFAOYSA-N 0 0 454.274 4.600 20 0 JJADRN CC[C@@H](C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(Br)cc1 ZINC001453482060 1067308666 /nfs/dbraw/zinc/30/86/66/1067308666.db2.gz SMRSFJRAOZFUFV-WOJBJXKFSA-N 0 0 451.792 4.618 20 0 JJADRN Cc1cc(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)nn1-c1ccc(Cl)cc1Cl ZINC001459380910 1067308748 /nfs/dbraw/zinc/30/87/48/1067308748.db2.gz VIVBUYVZEPRYCQ-MRXNPFEDSA-N 0 0 459.377 4.779 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)O1 ZINC001546051772 1067309057 /nfs/dbraw/zinc/30/90/57/1067309057.db2.gz ONWYFIUTMJQHJU-DENIHFKCSA-N 0 0 462.520 4.867 20 0 JJADRN C[C@@H](OC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC001459382745 1067309284 /nfs/dbraw/zinc/30/92/84/1067309284.db2.gz SJBYRDUYTFVQCK-VCRXTVNUSA-N 0 0 455.396 4.649 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)NCc2ccc(I)cc2Cl)c1C1CC1 ZINC001459386293 1067310089 /nfs/dbraw/zinc/31/00/89/1067310089.db2.gz MDOKEBOJKABVES-NSHDSACASA-N 0 0 457.743 4.920 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001453510762 1067310296 /nfs/dbraw/zinc/31/02/96/1067310296.db2.gz LKVHWJATZMHINP-PXNSSMCTSA-N 0 0 461.509 4.672 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)O1 ZINC001546052239 1067310841 /nfs/dbraw/zinc/31/08/41/1067310841.db2.gz TZAPFBZYQJTSIW-NPPFBWRTSA-N 0 0 467.536 4.544 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(Br)c2)C1 ZINC001546108503 1067311145 /nfs/dbraw/zinc/31/11/45/1067311145.db2.gz DGOSQUDPINTFFK-KRWDZBQOSA-N 0 0 463.420 4.618 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2cc(Br)ccc2C)cc(Br)c1O ZINC001453532454 1067311276 /nfs/dbraw/zinc/31/12/76/1067311276.db2.gz MCPJASBHHWPGIC-GQCTYLIASA-N 0 0 455.146 4.564 20 0 JJADRN O=C(CCN1CCO[C@H](c2ccccc2Br)C1)Nc1ccccc1C(F)(F)F ZINC001459390281 1067311438 /nfs/dbraw/zinc/31/14/38/1067311438.db2.gz FWAKBUWJTJNJLB-SFHVURJKSA-N 0 0 457.290 4.870 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2)cc1 ZINC001459393560 1067312095 /nfs/dbraw/zinc/31/20/95/1067312095.db2.gz OFHHSRFBJXVGFR-UGKGYDQZSA-N 0 0 459.512 4.556 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2CCC([C@H]3CCCCO3)CC2)cc1OCC ZINC001453540865 1067312480 /nfs/dbraw/zinc/31/24/80/1067312480.db2.gz REHICZSJQXFQDJ-LJQANCHMSA-N 0 0 454.405 4.597 20 0 JJADRN CC(C)(C)[C@H](NC(=O)CN1CCO[C@@H](c2ccccc2Br)C1)c1cccs1 ZINC001459396647 1067312612 /nfs/dbraw/zinc/31/26/12/1067312612.db2.gz SPIBZAUXRYFKEP-YLJYHZDGSA-N 0 0 451.430 4.788 20 0 JJADRN CC(C)(C)[C@H](NC(=O)CN1CCO[C@H](c2ccccc2Br)C1)c1cccs1 ZINC001459396644 1067312649 /nfs/dbraw/zinc/31/26/49/1067312649.db2.gz SPIBZAUXRYFKEP-FXAWDEMLSA-N 0 0 451.430 4.788 20 0 JJADRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1ccn(-c2ccccc2)n1 ZINC001459394445 1067312663 /nfs/dbraw/zinc/31/26/63/1067312663.db2.gz WKIIRQFZHAPQGI-GOSISDBHSA-N 0 0 459.575 4.645 20 0 JJADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCc2cccc(CNC(=O)OC(C)(C)C)c21 ZINC001453539805 1067312561 /nfs/dbraw/zinc/31/25/61/1067312561.db2.gz HOCOXYCTFHRAGY-SFHVURJKSA-N 0 0 457.537 4.557 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001453548891 1067313568 /nfs/dbraw/zinc/31/35/68/1067313568.db2.gz KNBWUHHQVBILQT-VIFPVBQESA-N 0 0 450.185 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1[C@@H]1CCCO1 ZINC001453549592 1067313749 /nfs/dbraw/zinc/31/37/49/1067313749.db2.gz KMBGGZGFMYKHQK-SNRMKQJTSA-N 0 0 457.398 4.804 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1Br ZINC001453554425 1067314364 /nfs/dbraw/zinc/31/43/64/1067314364.db2.gz NASIEKUPGCKGDD-UHFFFAOYSA-N 0 0 450.333 4.664 20 0 JJADRN O=C(Cn1ncc2ccccc2c1=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC001459407258 1067314592 /nfs/dbraw/zinc/31/45/92/1067314592.db2.gz WCINBTCUMTXUDW-UHFFFAOYSA-N 0 0 454.313 4.812 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407593 1067314659 /nfs/dbraw/zinc/31/46/59/1067314659.db2.gz URBQICOXKXHQGC-XUZZJYLKSA-N 0 0 451.611 4.988 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407597 1067314746 /nfs/dbraw/zinc/31/47/46/1067314746.db2.gz URBQICOXKXHQGC-ZJSXRUAMSA-N 0 0 451.611 4.988 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c(OC)c1 ZINC001459405123 1067314837 /nfs/dbraw/zinc/31/48/37/1067314837.db2.gz BTJVCEGXNLGUOK-VWLOTQADSA-N 0 0 452.595 4.596 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1F ZINC001453568623 1067314855 /nfs/dbraw/zinc/31/48/55/1067314855.db2.gz MXXALMSBNKAZDR-HNNXBMFYSA-N 0 0 458.511 4.915 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2ccccc2[S@@](=O)C(F)(F)F)c(OC)c1 ZINC001459408546 1067315232 /nfs/dbraw/zinc/31/52/32/1067315232.db2.gz LUUKHFJXTZOQAD-WJOKGBTCSA-N 0 0 455.498 4.774 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[C@H](C)C1 ZINC001459409555 1067315305 /nfs/dbraw/zinc/31/53/05/1067315305.db2.gz RBUQJJLXOGOHCL-BFYDXBDKSA-N 0 0 457.621 4.712 20 0 JJADRN Cc1ccccc1CC(=O)N1CCN([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001459411356 1067316265 /nfs/dbraw/zinc/31/62/65/1067316265.db2.gz DCZXJYYTJQEOTE-INIZCTEOSA-N 0 0 459.377 4.800 20 0 JJADRN CC[C@](C)(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001453581303 1067316312 /nfs/dbraw/zinc/31/63/12/1067316312.db2.gz HCGBSVDUPBSWLV-FQEVSTJZSA-N 0 0 451.386 4.558 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001453582476 1067316721 /nfs/dbraw/zinc/31/67/21/1067316721.db2.gz RJDMSIYLBDDQEA-DENIHFKCSA-N 0 0 460.615 4.980 20 0 JJADRN Cc1ccsc1CNC(=O)CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459411959 1067316797 /nfs/dbraw/zinc/31/67/97/1067316797.db2.gz BCQNNIMPWMMZEV-VWLOTQADSA-N 0 0 454.039 4.733 20 0 JJADRN Cc1cc(C(=O)NC2CCN(CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)c(C)o1 ZINC001459411765 1067316865 /nfs/dbraw/zinc/31/68/65/1067316865.db2.gz ATJQXEJISMSAML-QHCPKHFHSA-N 0 0 457.590 4.523 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)CN(C)C(=O)OC(C)(C)C)c(Br)c1 ZINC001459413064 1067317238 /nfs/dbraw/zinc/31/72/38/1067317238.db2.gz BPEMHKQABYGXEX-UHFFFAOYSA-N 0 0 451.361 4.746 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC001459413373 1067317362 /nfs/dbraw/zinc/31/73/62/1067317362.db2.gz FTCRSLRMDNXBGV-HNNXBMFYSA-N 0 0 451.792 4.848 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001453599848 1067317382 /nfs/dbraw/zinc/31/73/82/1067317382.db2.gz COYVGMYUPIQRBV-MXVIHJGJSA-N 0 0 456.656 4.812 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CC2)s1 ZINC001453599769 1067317502 /nfs/dbraw/zinc/31/75/02/1067317502.db2.gz DUYCZJOHMSECJE-UHFFFAOYSA-N 0 0 456.461 4.525 20 0 JJADRN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413763 1067317932 /nfs/dbraw/zinc/31/79/32/1067317932.db2.gz GUGYBYBKWKIISL-FQEVSTJZSA-N 0 0 451.592 4.563 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001453602855 1067317911 /nfs/dbraw/zinc/31/79/11/1067317911.db2.gz ADDHTQQFNGISBQ-ZWKOTPCHSA-N 0 0 467.010 4.778 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C ZINC001459414560 1067318134 /nfs/dbraw/zinc/31/81/34/1067318134.db2.gz KODQGONPCVRDAP-UHFFFAOYSA-N 0 0 452.986 4.579 20 0 JJADRN O=C(c1nc2ccccc2cc1Cl)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453605267 1067318388 /nfs/dbraw/zinc/31/83/88/1067318388.db2.gz MFEDBVLBEWIXNC-MRXNPFEDSA-N 0 0 453.892 4.541 20 0 JJADRN O=C(c1nc2ccccc2cc1Cl)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453605254 1067318400 /nfs/dbraw/zinc/31/84/00/1067318400.db2.gz MFEDBVLBEWIXNC-INIZCTEOSA-N 0 0 453.892 4.541 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[C@](F)(c2ccccc2)C1 ZINC001459415601 1067318406 /nfs/dbraw/zinc/31/84/06/1067318406.db2.gz RXYMNTILUWGERJ-LJQANCHMSA-N 0 0 450.333 4.591 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453607262 1067318616 /nfs/dbraw/zinc/31/86/16/1067318616.db2.gz PGDMASCLLYGSNJ-FXAWDEMLSA-N 0 0 456.574 4.595 20 0 JJADRN O=C1Nc2ccccc2[C@H]1C1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC001459417410 1067318808 /nfs/dbraw/zinc/31/88/08/1067318808.db2.gz KZPQSEVYHCYABZ-GOSISDBHSA-N 0 0 451.311 4.998 20 0 JJADRN CC(C)[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001459416841 1067318911 /nfs/dbraw/zinc/31/89/11/1067318911.db2.gz SNDVUJYUHFEVAY-RUZDIDTESA-N 0 0 456.652 4.970 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)O1 ZINC001546053467 1067319183 /nfs/dbraw/zinc/31/91/83/1067319183.db2.gz BATUGZVKLVLBQP-RCZVLFRGSA-N 0 0 470.017 4.780 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453608253 1067319197 /nfs/dbraw/zinc/31/91/97/1067319197.db2.gz RBQVFSDFYWQKMA-SFHVURJKSA-N 0 0 454.533 4.655 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)NN2Cc3ccc(Br)cc3C2=O)c1 ZINC001453611551 1067319212 /nfs/dbraw/zinc/31/92/12/1067319212.db2.gz BDRWCNVIAXRCFS-UHFFFAOYSA-N 0 0 451.320 4.816 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)O1 ZINC001546053587 1067319545 /nfs/dbraw/zinc/31/95/45/1067319545.db2.gz CMKQOGSIXGWZBW-KOSHJBKYSA-N 0 0 459.516 4.665 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546053625 1067319987 /nfs/dbraw/zinc/31/99/87/1067319987.db2.gz DAZRBLDZDZVMIY-YADARESESA-N 0 0 497.631 4.976 20 0 JJADRN C[C@@H]1CC(=O)Nc2ccc(C(=O)N[C@@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)cc2N1 ZINC001453645728 1067320385 /nfs/dbraw/zinc/32/03/85/1067320385.db2.gz VKLGEFRCDXYVNR-AUUYWEPGSA-N 0 0 450.539 4.594 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCC3C[C@H](C)O[C@@H](C)C3)cc2Br)on1 ZINC001459421321 1067320539 /nfs/dbraw/zinc/32/05/39/1067320539.db2.gz UYEUICZYYGGTSB-GJZGRUSLSA-N 0 0 451.361 4.648 20 0 JJADRN O=C(OCc1c(F)ccc(Br)c1F)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001459423509 1067321868 /nfs/dbraw/zinc/32/18/68/1067321868.db2.gz BWLCTSSHSIMVJA-UHFFFAOYSA-N 0 0 458.262 4.877 20 0 JJADRN CCn1ncc(Cl)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 ZINC001459424034 1067321892 /nfs/dbraw/zinc/32/18/92/1067321892.db2.gz DPHRKLKCLRWGOE-QGZVFWFLSA-N 0 0 453.370 4.644 20 0 JJADRN CCCCOc1cccc(CNC(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001459424085 1067321924 /nfs/dbraw/zinc/32/19/24/1067321924.db2.gz GQHSFAWYPCWBAG-QFIPXVFZSA-N 0 0 451.394 4.862 20 0 JJADRN CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1C(N)=O ZINC001459424992 1067322130 /nfs/dbraw/zinc/32/21/30/1067322130.db2.gz IJYSCBTYLANVLG-UHFFFAOYSA-N 0 0 457.939 4.792 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2COC(C)(C)OC2)O1 ZINC001546053898 1067322256 /nfs/dbraw/zinc/32/22/56/1067322256.db2.gz GUPKCIHPQFESEO-BWKNWUBXSA-N 0 0 477.049 4.705 20 0 JJADRN C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C[C@](C)(C(F)F)O1 ZINC001453686905 1067322307 /nfs/dbraw/zinc/32/23/07/1067322307.db2.gz AQMYBGUEEHAHCD-JEOXALJRSA-N 0 0 459.262 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)[C@@H](c2cccc(Cl)c2)C1 ZINC001459425656 1067322671 /nfs/dbraw/zinc/32/26/71/1067322671.db2.gz KLBPGDGGAFWZSM-OAQYLSRUSA-N 0 0 454.958 4.510 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459427442 1067323035 /nfs/dbraw/zinc/32/30/35/1067323035.db2.gz SFUHAFUXYRKYEL-XMMPIXPASA-N 0 0 459.612 4.976 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459427456 1067323088 /nfs/dbraw/zinc/32/30/88/1067323088.db2.gz SKLMJUJDBDSTAY-HRFSGMKKSA-N 0 0 452.595 4.808 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459427458 1067323103 /nfs/dbraw/zinc/32/31/03/1067323103.db2.gz SKLMJUJDBDSTAY-NFQMXDRXSA-N 0 0 452.595 4.808 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)Cc3nnn(-c4ccccc4)c3C)nc21 ZINC001459426621 1067323169 /nfs/dbraw/zinc/32/31/69/1067323169.db2.gz UQIVFMOQIGRSKE-UHFFFAOYSA-N 0 0 456.369 4.692 20 0 JJADRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001459429145 1067323665 /nfs/dbraw/zinc/32/36/65/1067323665.db2.gz RSIWDEHEXOCOGT-IERDGZPVSA-N 0 0 453.539 4.540 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)no1 ZINC001453700583 1067323626 /nfs/dbraw/zinc/32/36/26/1067323626.db2.gz DODDMJHQNUTPAR-HNNXBMFYSA-N 0 0 456.123 4.874 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)ccn1 ZINC001459429157 1067323856 /nfs/dbraw/zinc/32/38/56/1067323856.db2.gz XERPMVDCNUEUQP-HXUWFJFHSA-N 0 0 459.974 4.956 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001459429600 1067323964 /nfs/dbraw/zinc/32/39/64/1067323964.db2.gz ULYPXSWOWQJPAV-QPUJVOFHSA-N 0 0 452.782 4.575 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2scnc2C)O1 ZINC001546054034 1067323915 /nfs/dbraw/zinc/32/39/15/1067323915.db2.gz IWPKUCLVODJYFR-CYFREDJKSA-N 0 0 455.628 4.627 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001453705910 1067323947 /nfs/dbraw/zinc/32/39/47/1067323947.db2.gz JXFTYCVRONKZRK-QGZVFWFLSA-N 0 0 457.785 4.773 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@](C)(CO)c3cccc(C(F)(F)F)c3)cc2c1Br ZINC001453705849 1067323989 /nfs/dbraw/zinc/32/39/89/1067323989.db2.gz XPYCWAGDZJCLMB-LJQANCHMSA-N 0 0 455.274 4.895 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)O1 ZINC001546054053 1067324440 /nfs/dbraw/zinc/32/44/40/1067324440.db2.gz JCMKHRGAZDYLAE-LVXARBLLSA-N 0 0 455.647 4.966 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC001459436389 1067324935 /nfs/dbraw/zinc/32/49/35/1067324935.db2.gz HQJCBVHNKCWYNG-NVXWUHKLSA-N 0 0 458.624 4.826 20 0 JJADRN Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c(C)n1C1CC1 ZINC001453742037 1067325903 /nfs/dbraw/zinc/32/59/03/1067325903.db2.gz YKFFBQZGNICDEQ-UHFFFAOYSA-N 0 0 459.388 4.629 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)n2)cc1 ZINC001459450416 1067326542 /nfs/dbraw/zinc/32/65/42/1067326542.db2.gz MYEXJNYLOUTOLN-UHFFFAOYSA-N 0 0 453.392 4.787 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N(OC)[C@@H](C)c3cccc(C(F)(F)F)c3)cc21 ZINC001453745760 1067326705 /nfs/dbraw/zinc/32/67/05/1067326705.db2.gz ZLUYDXZYKNIMED-LBPRGKRZSA-N 0 0 452.429 4.977 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)O1 ZINC001546054500 1067327108 /nfs/dbraw/zinc/32/71/08/1067327108.db2.gz OWLYQKWSONMWFA-MEKIYTOJSA-N 0 0 463.022 4.688 20 0 JJADRN Clc1cccc(-c2nc(CN3CCC(n4cc(Br)cn4)CC3)no2)c1Cl ZINC001459453741 1067327163 /nfs/dbraw/zinc/32/71/63/1067327163.db2.gz PLNOCMGWUAZDHN-UHFFFAOYSA-N 0 0 457.159 4.840 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN1CCC([C@H](O)c3ccc(Cl)cc3)CC1)n2CC ZINC001459453607 1067327174 /nfs/dbraw/zinc/32/71/74/1067327174.db2.gz IXEPLIKUFZMKDA-XMMPIXPASA-N 0 0 455.986 4.832 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(F)cccc3OC)CC2)O1 ZINC001546054597 1067327183 /nfs/dbraw/zinc/32/71/83/1067327183.db2.gz PLWIYQBMKJRYGQ-BCHFMIIMSA-N 0 0 473.637 4.689 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546054593 1067327257 /nfs/dbraw/zinc/32/72/57/1067327257.db2.gz PLGSUFKIMAKMOM-KNQAVFIVSA-N 0 0 463.395 4.845 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)O1 ZINC001546054741 1067327910 /nfs/dbraw/zinc/32/79/10/1067327910.db2.gz RVHYPUXBOWNCCC-KKPNIWNPSA-N 0 0 491.677 4.561 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)O1 ZINC001546054742 1067328134 /nfs/dbraw/zinc/32/81/34/1067328134.db2.gz RVHYPUXBOWNCCC-VLECTGLKSA-N 0 0 491.677 4.561 20 0 JJADRN O[C@@H]([C@@H]1CCCN1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455884 1067328266 /nfs/dbraw/zinc/32/82/66/1067328266.db2.gz MRFVYZSYRBKYPO-RDJZCZTQSA-N 0 0 456.262 4.540 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001546109013 1067328544 /nfs/dbraw/zinc/32/85/44/1067328544.db2.gz RAOJWZDQPRCCBE-OAQYLSRUSA-N 0 0 497.581 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458507 1067328682 /nfs/dbraw/zinc/32/86/82/1067328682.db2.gz PMCDKWXCUUDNLD-HXUWFJFHSA-N 0 0 458.990 4.575 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC001453774368 1067329034 /nfs/dbraw/zinc/32/90/34/1067329034.db2.gz WQYFQQWKQLKPLJ-NRFANRHFSA-N 0 0 453.514 4.603 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N1CCc2cc(F)cc(C)c2C1 ZINC001459458707 1067328901 /nfs/dbraw/zinc/32/89/01/1067328901.db2.gz KUZKKVKZHCDIKZ-UHFFFAOYSA-N 0 0 459.686 4.599 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458961 1067329056 /nfs/dbraw/zinc/32/90/56/1067329056.db2.gz VGTCZKUHDGRWEQ-VBKZILBWSA-N 0 0 451.792 4.875 20 0 JJADRN Cn1cc(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(Br)n1 ZINC001459459082 1067329084 /nfs/dbraw/zinc/32/90/84/1067329084.db2.gz WBNZGSOWOHENIM-UHFFFAOYSA-N 0 0 458.335 4.524 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001453783202 1067329210 /nfs/dbraw/zinc/32/92/10/1067329210.db2.gz LMPJERIXCFDODE-NRFANRHFSA-N 0 0 455.338 4.897 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2cccc(COC)c2)cc1 ZINC001459460575 1067329331 /nfs/dbraw/zinc/32/93/31/1067329331.db2.gz CHJYNYKEYGOABM-XMMPIXPASA-N 0 0 452.595 4.759 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H]2CCSC2)O1 ZINC001546055171 1067330204 /nfs/dbraw/zinc/33/02/04/1067330204.db2.gz XRXMVFCCKYVKIZ-UMEGOILYSA-N 0 0 493.718 4.682 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC001459463479 1067330326 /nfs/dbraw/zinc/33/03/26/1067330326.db2.gz XZTIDYAUTNTUTL-KGVIQGDOSA-N 0 0 451.405 4.543 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCCC(=O)OC1CCCCC1 ZINC001459463197 1067330340 /nfs/dbraw/zinc/33/03/40/1067330340.db2.gz JYXKVQMVGVUEAQ-UHFFFAOYSA-N 0 0 457.415 4.559 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)O1 ZINC001546055199 1067330655 /nfs/dbraw/zinc/33/06/55/1067330655.db2.gz XZYMKKARVIHEDW-VHFRWLAGSA-N 0 0 483.657 4.628 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)[C@@H](O)c1ccc(Cl)cc1 ZINC001453822876 1067330974 /nfs/dbraw/zinc/33/09/74/1067330974.db2.gz RITOCYDIJQGLSK-ZEQRLZLVSA-N 0 0 457.954 4.842 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)[C@H](O)c1ccc(Cl)cc1 ZINC001453822845 1067331022 /nfs/dbraw/zinc/33/10/22/1067331022.db2.gz RITOCYDIJQGLSK-BJKOFHAPSA-N 0 0 457.954 4.842 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001453821791 1067331059 /nfs/dbraw/zinc/33/10/59/1067331059.db2.gz YYJCBGFMCBUBPP-INIZCTEOSA-N 0 0 459.852 4.708 20 0 JJADRN COc1nsc(CNC(=O)C2(Cc3cccc(OC)c3)CCCCC2)c1Br ZINC001453827784 1067331314 /nfs/dbraw/zinc/33/13/14/1067331314.db2.gz VRFCRLQZGVPBLS-UHFFFAOYSA-N 0 0 453.402 4.732 20 0 JJADRN COc1cc2ncc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)c(O)c2c(OC)c1 ZINC001453829246 1067331581 /nfs/dbraw/zinc/33/15/81/1067331581.db2.gz XCQKHTJGKNQWKN-IBGZPJMESA-N 0 0 456.542 4.819 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2CC(C)(C)C2)n1-c1ccccc1 ZINC001453834869 1067332020 /nfs/dbraw/zinc/33/20/20/1067332020.db2.gz RFDXNZAYJUVXNR-UHFFFAOYSA-N 0 0 450.608 4.860 20 0 JJADRN CN(C)c1cc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1 ZINC001459467627 1067332059 /nfs/dbraw/zinc/33/20/59/1067332059.db2.gz LDLFLWHHBXLDNC-JOCHJYFZSA-N 0 0 455.521 4.635 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)Cc4cc(Cl)cc(Cl)c4)CC3)n2)CCCC1 ZINC001453872282 1067333181 /nfs/dbraw/zinc/33/31/81/1067333181.db2.gz LYLKIFSYOOZXKH-UHFFFAOYSA-N 0 0 452.382 4.816 20 0 JJADRN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1CSC1=NCCS1 ZINC001453877169 1067333455 /nfs/dbraw/zinc/33/34/55/1067333455.db2.gz YRQHLVZFRAXYSH-NRFANRHFSA-N 0 0 456.633 4.648 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001546109103 1067334197 /nfs/dbraw/zinc/33/41/97/1067334197.db2.gz TWNKDXSUUPJZEN-SFHVURJKSA-N 0 0 452.521 4.940 20 0 JJADRN CN(C[C@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474682 1067334320 /nfs/dbraw/zinc/33/43/20/1067334320.db2.gz HOSUYVHMKDQZAK-OAHLLOKOSA-N 0 0 450.377 4.793 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476076 1067334784 /nfs/dbraw/zinc/33/47/84/1067334784.db2.gz LEUCPALDLHTSJR-VQTJNVASSA-N 0 0 453.583 4.995 20 0 JJADRN COc1ccc2oc(C)c(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccncc3)c2c1 ZINC001459477511 1067334883 /nfs/dbraw/zinc/33/48/83/1067334883.db2.gz HJHVNYNNQDNTSD-FQEVSTJZSA-N 0 0 451.523 4.579 20 0 JJADRN CN(C[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1)C(=O)OC(C)(C)C ZINC001459478373 1067335317 /nfs/dbraw/zinc/33/53/17/1067335317.db2.gz NTKVVIQTCVINFO-HNNXBMFYSA-N 0 0 450.377 4.793 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cc(F)c(C(F)(F)F)cc3F)CC2)cc1 ZINC001459486086 1067336566 /nfs/dbraw/zinc/33/65/66/1067336566.db2.gz NROALQKBGVPCPO-OAHLLOKOSA-N 0 0 456.455 4.658 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cs2)cc1 ZINC001459486311 1067336791 /nfs/dbraw/zinc/33/67/91/1067336791.db2.gz SHCIMFKFGAMGBO-UHFFFAOYSA-N 0 0 451.436 4.949 20 0 JJADRN Cc1cccc2oc(CCNC(=O)[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)nc21 ZINC001459494274 1067336944 /nfs/dbraw/zinc/33/69/44/1067336944.db2.gz TUFJKROXAVSGFT-HJPURHCSSA-N 0 0 457.933 4.586 20 0 JJADRN O=C(Nc1ncc(C(F)(F)F)cc1Br)c1cnc(Cl)c(Br)c1 ZINC001459490621 1067337581 /nfs/dbraw/zinc/33/75/81/1067337581.db2.gz YWKBVQIDQBZJBE-UHFFFAOYSA-N 0 0 459.447 4.926 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001459491849 1067338032 /nfs/dbraw/zinc/33/80/32/1067338032.db2.gz WHNDZKWAKOCKLZ-XPTSAGLGSA-N 0 0 453.358 4.928 20 0 JJADRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496214 1067338851 /nfs/dbraw/zinc/33/88/51/1067338851.db2.gz ZSJBZPIOGFZYEX-CXAGYDPISA-N 0 0 455.864 4.842 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2OCc2ccccc2)cc1 ZINC001459497325 1067338916 /nfs/dbraw/zinc/33/89/16/1067338916.db2.gz ZIYRFPPDALVSON-UHFFFAOYSA-N 0 0 450.560 4.893 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001459507623 1067340545 /nfs/dbraw/zinc/34/05/45/1067340545.db2.gz ICBAOWUWDHATDA-JZXOWHBKSA-N 0 0 457.983 4.768 20 0 JJADRN COc1ccc(-c2nccnc2NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1 ZINC001459507824 1067340619 /nfs/dbraw/zinc/34/06/19/1067340619.db2.gz ZSAXBHNGXOEZBM-UHFFFAOYSA-N 0 0 450.239 4.768 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC001459507972 1067340972 /nfs/dbraw/zinc/34/09/72/1067340972.db2.gz FBCXSIOZZYCXTE-UHFFFAOYSA-N 0 0 453.384 4.595 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(C)(C)C ZINC001459510764 1067341359 /nfs/dbraw/zinc/34/13/59/1067341359.db2.gz BAHAZFBSJMKTRD-KRWDZBQOSA-N 0 0 452.393 4.529 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001459510116 1067341532 /nfs/dbraw/zinc/34/15/32/1067341532.db2.gz NXFWLMGTWMYDQP-UHFFFAOYSA-N 0 0 455.415 4.972 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)c2)cn1 ZINC001459510303 1067341690 /nfs/dbraw/zinc/34/16/90/1067341690.db2.gz ADOBXRPIVDOTTM-UHFFFAOYSA-N 0 0 458.967 4.912 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cnc(OCC(C)C)c(Cl)c3)CC2)c1 ZINC001459517828 1067343115 /nfs/dbraw/zinc/34/31/15/1067343115.db2.gz YLTCKDRHVCAYRF-UHFFFAOYSA-N 0 0 450.938 4.888 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cc(-c4ccccc4Cl)on3)CC2)c(C)c1 ZINC001459520306 1067343458 /nfs/dbraw/zinc/34/34/58/1067343458.db2.gz RSMCOEYKHCHDJZ-IBGZPJMESA-N 0 0 453.970 4.724 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(I)c(Cl)c1 ZINC001459522612 1067344233 /nfs/dbraw/zinc/34/42/33/1067344233.db2.gz FJGIJIVAWVLZMD-JLHYYAGUSA-N 0 0 455.723 4.758 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(Br)c2Cl)C1 ZINC001459523621 1067344270 /nfs/dbraw/zinc/34/42/70/1067344270.db2.gz IOMRWMOYYXWUMB-SNVBAGLBSA-N 0 0 453.711 4.933 20 0 JJADRN COc1cc(CN(C)CC(=O)Nc2ccc(Br)c(C)c2)c(SC)cc1OC ZINC001459525746 1067344776 /nfs/dbraw/zinc/34/47/76/1067344776.db2.gz JENGXKOGCKJXIK-UHFFFAOYSA-N 0 0 453.402 4.567 20 0 JJADRN COc1ccc(CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459529522 1067345129 /nfs/dbraw/zinc/34/51/29/1067345129.db2.gz KXNOTTGBWYLCGL-SFHVURJKSA-N 0 0 453.608 4.938 20 0 JJADRN COc1cc(CN(C)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(SC)cc1OC ZINC001459528984 1067345452 /nfs/dbraw/zinc/34/54/52/1067345452.db2.gz QJPUXHNAIKPUEA-UHFFFAOYSA-N 0 0 453.395 4.945 20 0 JJADRN COc1cc(CN(C)CC(=O)NCCc2cccc(Cl)c2Cl)c(SC)cc1OC ZINC001459528793 1067345497 /nfs/dbraw/zinc/34/54/97/1067345497.db2.gz OMQPHVZKKWLMJD-UHFFFAOYSA-N 0 0 457.423 4.523 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)C(C)(C)C ZINC001459528123 1067345552 /nfs/dbraw/zinc/34/55/52/1067345552.db2.gz VECROPCHXBVKBX-HNNXBMFYSA-N 0 0 452.646 4.627 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)cc1F ZINC001459530074 1067345940 /nfs/dbraw/zinc/34/59/40/1067345940.db2.gz MXMHVELIQQBZHT-UHFFFAOYSA-N 0 0 456.136 4.924 20 0 JJADRN COc1ccc(CN(C(=O)c2cnn(C(C)C)c2Br)[C@@H](C)C2CC2)c(OC)c1 ZINC001459533401 1067347021 /nfs/dbraw/zinc/34/70/21/1067347021.db2.gz RZHFPTAMOXBNJH-AWEZNQCLSA-N 0 0 450.377 4.685 20 0 JJADRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459534261 1067347150 /nfs/dbraw/zinc/34/71/50/1067347150.db2.gz XHXZCEIMZORZLP-IBGZPJMESA-N 0 0 454.374 4.762 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc2c(c1)CCC2 ZINC001459547111 1067348487 /nfs/dbraw/zinc/34/84/87/1067348487.db2.gz GYUVHKHAUPDHMZ-UHFFFAOYSA-N 0 0 451.419 4.739 20 0 JJADRN O=C(c1csc(-c2cnccn2)n1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001459554883 1067349825 /nfs/dbraw/zinc/34/98/25/1067349825.db2.gz HJFYCABKNBLABU-UHFFFAOYSA-N 0 0 452.433 4.600 20 0 JJADRN CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2s1 ZINC001459556329 1067350266 /nfs/dbraw/zinc/35/02/66/1067350266.db2.gz OIACXYJOXFNYBA-OAHLLOKOSA-N 0 0 452.388 4.781 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@]1(C)CC1(Br)Br ZINC001459560460 1067351279 /nfs/dbraw/zinc/35/12/79/1067351279.db2.gz SFPDBHADTICIQJ-LBPRGKRZSA-N 0 0 453.587 4.637 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@@]1(C)CC1(Br)Br ZINC001459560456 1067351335 /nfs/dbraw/zinc/35/13/35/1067351335.db2.gz SFPDBHADTICIQJ-GFCCVEGCSA-N 0 0 453.587 4.637 20 0 JJADRN C[C@@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@@H](C(F)(F)F)O1 ZINC001459559634 1067351447 /nfs/dbraw/zinc/35/14/47/1067351447.db2.gz HHTVXXPXMFMHKO-BZNIZROVSA-N 0 0 456.262 4.804 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001459561078 1067351963 /nfs/dbraw/zinc/35/19/63/1067351963.db2.gz CHERZPPUDHTTLV-ZDUSSCGKSA-N 0 0 456.153 4.668 20 0 JJADRN COC(=O)[C@H](c1ccccc1Br)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001459564156 1067352214 /nfs/dbraw/zinc/35/22/14/1067352214.db2.gz KPSFAVDKOVUBMW-MSOLQXFVSA-N 0 0 457.409 4.534 20 0 JJADRN CCOC(=O)C1=C(CN2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563729 1067352223 /nfs/dbraw/zinc/35/22/23/1067352223.db2.gz NCEHQRXYVHYQGU-VQPPSCEASA-N 0 0 457.958 4.577 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001459562938 1067352457 /nfs/dbraw/zinc/35/24/57/1067352457.db2.gz XOFRNKCJJIXJEA-UHFFFAOYSA-N 0 0 451.767 4.838 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001459564770 1067352918 /nfs/dbraw/zinc/35/29/18/1067352918.db2.gz QOBNMRRYCPZERS-HLRDLLSLSA-N 0 0 455.274 4.756 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)nc(Br)c1)c1nc(C(F)(F)F)cs1 ZINC001459565234 1067353295 /nfs/dbraw/zinc/35/32/95/1067353295.db2.gz TXSZBYQNMWAPEN-YFKPBYRVSA-N 0 0 459.085 4.573 20 0 JJADRN O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC001459566388 1067353707 /nfs/dbraw/zinc/35/37/07/1067353707.db2.gz CIBXBVUCQUKWFT-UHFFFAOYSA-N 0 0 453.873 4.567 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)OCc3cc(Cl)ccc3OCC3CC3)CCC(=O)N2C)cc1 ZINC001459566214 1067353757 /nfs/dbraw/zinc/35/37/57/1067353757.db2.gz ASARVDKQIAXZKW-XUZZJYLKSA-N 0 0 457.954 4.790 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1c(F)cccc1I ZINC001459567317 1067354070 /nfs/dbraw/zinc/35/40/70/1067354070.db2.gz FQKWNLISRGIXQW-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459569033 1067354340 /nfs/dbraw/zinc/35/43/40/1067354340.db2.gz KDQOQVUVJLQNIW-SNVBAGLBSA-N 0 0 454.296 4.554 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001459568698 1067354359 /nfs/dbraw/zinc/35/43/59/1067354359.db2.gz GPOXENXNIWGTLG-OAHLLOKOSA-N 0 0 455.343 4.648 20 0 JJADRN Cc1cc(C)c2cc(C(=O)N(C)Cc3cn(-c4cccc(Br)c4)nn3)sc2n1 ZINC001459572435 1067354907 /nfs/dbraw/zinc/35/49/07/1067354907.db2.gz VFHBNOKOUOBTBW-UHFFFAOYSA-N 0 0 456.369 4.529 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc(OCCc4ccccc4)c3)c(C)c12 ZINC001459574709 1067355480 /nfs/dbraw/zinc/35/54/80/1067355480.db2.gz HGBMEKGALPSZDJ-UHFFFAOYSA-N 0 0 458.562 4.787 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Oc3cc(Br)cc(F)c3F)no2)c1 ZINC001459582398 1067356402 /nfs/dbraw/zinc/35/64/02/1067356402.db2.gz CQCSNOHVXLADAG-UHFFFAOYSA-N 0 0 452.207 4.716 20 0 JJADRN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1Cl ZINC001459583801 1067356956 /nfs/dbraw/zinc/35/69/56/1067356956.db2.gz PDUWRVBJNBAGGZ-UHFFFAOYSA-N 0 0 454.939 4.867 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)cn2)C[C@H](C)O1 ZINC001459588082 1067358220 /nfs/dbraw/zinc/35/82/20/1067358220.db2.gz AQEPPSGBEVVIGK-HDICACEKSA-N 0 0 454.958 4.587 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)NCc2cc(Cl)ccc2N2CCOCC2)on1 ZINC001459588676 1067358361 /nfs/dbraw/zinc/35/83/61/1067358361.db2.gz SMLBFXCXCVUAHK-UHFFFAOYSA-N 0 0 457.983 4.695 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(F)(F)c1ccccc1Br ZINC001459588356 1067358423 /nfs/dbraw/zinc/35/84/23/1067358423.db2.gz BGAANDDPIPTGHO-ZDUSSCGKSA-N 0 0 453.283 4.717 20 0 JJADRN O=C(c1scnc1C1CCCC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459591262 1067359079 /nfs/dbraw/zinc/35/90/79/1067359079.db2.gz STKCTXHLIYRSNR-UHFFFAOYSA-N 0 0 452.393 4.660 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(Cc3cccc(Cl)c3Br)CC2)cs1 ZINC001459591832 1067359143 /nfs/dbraw/zinc/35/91/43/1067359143.db2.gz JAGDKGHUWSKPSB-CQSZACIVSA-N 0 0 458.853 4.974 20 0 JJADRN Cn1c(=O)ccc2ccc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)cc21 ZINC001459595123 1067360001 /nfs/dbraw/zinc/36/00/01/1067360001.db2.gz GPFGRTOLFXGUGW-UHFFFAOYSA-N 0 0 450.292 4.741 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccncc4C)CC3)s2)cc1OC ZINC001459596859 1067360409 /nfs/dbraw/zinc/36/04/09/1067360409.db2.gz WXSUNCVMNRIJSO-UHFFFAOYSA-N 0 0 453.564 4.523 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](CO)c1c(F)cccc1F ZINC001546110379 1067361253 /nfs/dbraw/zinc/36/12/53/1067361253.db2.gz XVPZFGFDVFVONF-SJCJKPOMSA-N 0 0 452.910 4.745 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)no1 ZINC001459605206 1067361439 /nfs/dbraw/zinc/36/14/39/1067361439.db2.gz NOCFGQYOTCTDEK-GOSISDBHSA-N 0 0 453.568 4.673 20 0 JJADRN C[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459607289 1067361796 /nfs/dbraw/zinc/36/17/96/1067361796.db2.gz HZPPHOQPSZQQQQ-DNVCBOLYSA-N 0 0 458.430 4.577 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610427 1067363201 /nfs/dbraw/zinc/36/32/01/1067363201.db2.gz APJCTOYAPXYRDU-WMLDXEAASA-N 0 0 453.366 4.881 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001459610876 1067363255 /nfs/dbraw/zinc/36/32/55/1067363255.db2.gz QETGPZFWFKVFDT-MOPGFXCFSA-N 0 0 457.640 4.642 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)Oc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c(C)n2n1 ZINC001459614899 1067364467 /nfs/dbraw/zinc/36/44/67/1067364467.db2.gz HNWDAUOYWWFQOM-INIZCTEOSA-N 0 0 452.555 4.778 20 0 JJADRN CCc1c(C(=O)N[C@H](C)c2ccc(Br)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001459613810 1067364549 /nfs/dbraw/zinc/36/45/49/1067364549.db2.gz ISBOZAHQCNUVRW-OAHLLOKOSA-N 0 0 457.372 4.870 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)Oc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c(C)n2n1 ZINC001459614902 1067364552 /nfs/dbraw/zinc/36/45/52/1067364552.db2.gz HNWDAUOYWWFQOM-MRXNPFEDSA-N 0 0 452.555 4.778 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)C(F)(F)F ZINC001459615846 1067365074 /nfs/dbraw/zinc/36/50/74/1067365074.db2.gz MKNUMBRRCFFYBS-CKJXQJPGSA-N 0 0 450.501 4.794 20 0 JJADRN Cc1ccc(OC(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC001459617443 1067365241 /nfs/dbraw/zinc/36/52/41/1067365241.db2.gz HYUFVMUDJMYLNB-UHFFFAOYSA-N 0 0 453.285 4.683 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)N1Cc2ccccc2C1=O ZINC001459618673 1067365519 /nfs/dbraw/zinc/36/55/19/1067365519.db2.gz KSAUPRVOMSJPHW-SFTDATJTSA-N 0 0 459.359 4.932 20 0 JJADRN CC(C)n1nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c2ccccc2c1=O ZINC001459617506 1067365586 /nfs/dbraw/zinc/36/55/86/1067365586.db2.gz IBRVLWWGKUSTEF-IBGZPJMESA-N 0 0 458.331 4.856 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)c1ccccc1 ZINC001459619156 1067365602 /nfs/dbraw/zinc/36/56/02/1067365602.db2.gz STSPWYAGARSIHB-HSZRJFAPSA-N 0 0 457.530 4.843 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1OC ZINC001459618646 1067365615 /nfs/dbraw/zinc/36/56/15/1067365615.db2.gz RRRLFXFQBVNOSN-UHFFFAOYSA-N 0 0 459.930 4.615 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001459617529 1067365653 /nfs/dbraw/zinc/36/56/53/1067365653.db2.gz IRSBDLGTPMNSEZ-GOSISDBHSA-N 0 0 452.274 4.888 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC001459618832 1067365693 /nfs/dbraw/zinc/36/56/93/1067365693.db2.gz RNTVCIBIEYTZQJ-CYBMUJFWSA-N 0 0 454.423 4.751 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)CSCc3ccc(Cl)cc3Cl)c2)C1=O ZINC001459620528 1067366133 /nfs/dbraw/zinc/36/61/33/1067366133.db2.gz VZFUNSCYKUFRGE-UHFFFAOYSA-N 0 0 452.363 4.700 20 0 JJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC001459624180 1067366771 /nfs/dbraw/zinc/36/67/71/1067366771.db2.gz OFUTYVQZIYNWNW-VWLOTQADSA-N 0 0 456.608 4.719 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC001459624236 1067367340 /nfs/dbraw/zinc/36/73/40/1067367340.db2.gz ADXMOUQWCKSAKG-QHCPKHFHSA-N 0 0 453.970 4.609 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001459637423 1067369802 /nfs/dbraw/zinc/36/98/02/1067369802.db2.gz LXHSLJZCKQPLJV-CNOZUTPLSA-N 0 0 455.723 4.619 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001459638318 1067370000 /nfs/dbraw/zinc/37/00/00/1067370000.db2.gz QAACDJZOTABPJY-HXUWFJFHSA-N 0 0 457.546 4.787 20 0 JJADRN CCc1ccc([C@@H](C)C(=O)NCc2cc(Cl)c(I)cc2OC)cc1 ZINC001459637489 1067370069 /nfs/dbraw/zinc/37/00/69/1067370069.db2.gz MZWMBZXPMQRDFP-GFCCVEGCSA-N 0 0 457.739 4.936 20 0 JJADRN O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(Cl)cc1I ZINC001459644216 1067371056 /nfs/dbraw/zinc/37/10/56/1067371056.db2.gz LQDQGTOTGNXSKH-BQYQJAHWSA-N 0 0 454.720 4.884 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001459644599 1067371081 /nfs/dbraw/zinc/37/10/81/1067371081.db2.gz PEOKATKUSIZAIY-PXNSSMCTSA-N 0 0 451.735 4.855 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647564 1067371392 /nfs/dbraw/zinc/37/13/92/1067371392.db2.gz JXCIDZLTIMFOEM-IBGZPJMESA-N 0 0 450.482 4.821 20 0 JJADRN COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC001459648678 1067371525 /nfs/dbraw/zinc/37/15/25/1067371525.db2.gz KZIWFECPHFFUDP-NRFANRHFSA-N 0 0 450.901 4.844 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(Cl)cc1I ZINC001459648602 1067371544 /nfs/dbraw/zinc/37/15/44/1067371544.db2.gz ZXKLXVMNWOULHM-UHFFFAOYSA-N 0 0 459.114 4.938 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)C1CCCC1 ZINC001459659856 1067373788 /nfs/dbraw/zinc/37/37/88/1067373788.db2.gz HYCUGZBLCIZGLL-OAQYLSRUSA-N 0 0 457.546 4.613 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCO[C@@H]2C)C1 ZINC001546110810 1067373892 /nfs/dbraw/zinc/37/38/92/1067373892.db2.gz OFQYIWBXZXVMCB-FQRUVTKNSA-N 0 0 491.076 4.808 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CCO1 ZINC001459659676 1067374114 /nfs/dbraw/zinc/37/41/14/1067374114.db2.gz XQJRZZFCXFHMAK-FIKGOQFSSA-N 0 0 452.555 4.565 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C1CCCC1 ZINC001459661128 1067374439 /nfs/dbraw/zinc/37/44/39/1067374439.db2.gz JVZIBKLHUXSVEG-GOSISDBHSA-N 0 0 453.421 4.926 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(F)(F)c1ncccc1Br ZINC001459661584 1067374517 /nfs/dbraw/zinc/37/45/17/1067374517.db2.gz FJROIYPTYJRODH-UHFFFAOYSA-N 0 0 454.054 4.668 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546110877 1067375039 /nfs/dbraw/zinc/37/50/39/1067375039.db2.gz QWJPLUUWWWBOOT-IRLDBZIGSA-N 0 0 482.673 4.926 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459663437 1067375435 /nfs/dbraw/zinc/37/54/35/1067375435.db2.gz VOOQRNQDZIVHIP-FZKQIMNGSA-N 0 0 458.805 4.624 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1ccc2cncc(Br)c2n1 ZINC001459664257 1067375671 /nfs/dbraw/zinc/37/56/71/1067375671.db2.gz PJVNJAIBCSGVMT-UHFFFAOYSA-N 0 0 455.095 4.738 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1cccc(F)c1Br)C1CCCC1 ZINC001459665804 1067376541 /nfs/dbraw/zinc/37/65/41/1067376541.db2.gz WLKDXQCPRRHPSQ-QGZVFWFLSA-N 0 0 457.384 4.721 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC001459667683 1067377129 /nfs/dbraw/zinc/37/71/29/1067377129.db2.gz AINRBDPQSLVHIM-SFTDATJTSA-N 0 0 450.560 4.575 20 0 JJADRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001459668379 1067377618 /nfs/dbraw/zinc/37/76/18/1067377618.db2.gz QTJDYPWPDZDPMJ-RISCZKNCSA-N 0 0 454.811 4.746 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(Br)ccc2OC(F)F)C1 ZINC001459669163 1067378097 /nfs/dbraw/zinc/37/80/97/1067378097.db2.gz XREODZYARGCNID-INIZCTEOSA-N 0 0 458.278 4.586 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(Br)ccc2OC(F)F)C1 ZINC001459669167 1067378650 /nfs/dbraw/zinc/37/86/50/1067378650.db2.gz XREODZYARGCNID-MRXNPFEDSA-N 0 0 458.278 4.586 20 0 JJADRN CN(CCOc1ccccc1C(C)(C)C)C(=O)/C=C/c1ccc(I)o1 ZINC001459670548 1067378676 /nfs/dbraw/zinc/37/86/76/1067378676.db2.gz HYVLOSOVZXCLRH-ZRDIBKRKSA-N 0 0 453.320 4.732 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCCc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 ZINC001546111053 1067379851 /nfs/dbraw/zinc/37/98/51/1067379851.db2.gz XKNUZKASNXTJNZ-UHFFFAOYSA-N 0 0 497.684 4.764 20 0 JJADRN O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001459677422 1067381212 /nfs/dbraw/zinc/38/12/12/1067381212.db2.gz NMBVNOHDRSNAHN-UHFFFAOYSA-N 0 0 454.880 4.583 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001459682709 1067382001 /nfs/dbraw/zinc/38/20/01/1067382001.db2.gz STGOCMWDBOYWCK-OAHLLOKOSA-N 0 0 454.596 4.570 20 0 JJADRN Cc1cc(Br)c(C(=O)N(C)c2ccc(C(F)(F)F)nn2)cc1Br ZINC001459684159 1067382500 /nfs/dbraw/zinc/38/25/00/1067382500.db2.gz ROFSVNMMDCWMPU-UHFFFAOYSA-N 0 0 453.056 4.605 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC001459684464 1067382723 /nfs/dbraw/zinc/38/27/23/1067382723.db2.gz DNYCCSZEWAFBEX-OAHLLOKOSA-N 0 0 450.505 4.739 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC001459685129 1067382980 /nfs/dbraw/zinc/38/29/80/1067382980.db2.gz KTPATWJWWPSVQH-UHFFFAOYSA-N 0 0 452.551 4.594 20 0 JJADRN CCn1ncc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1C(F)(F)F ZINC001459684688 1067383075 /nfs/dbraw/zinc/38/30/75/1067383075.db2.gz SPPLIIQYVSIXCN-UHFFFAOYSA-N 0 0 450.421 4.622 20 0 JJADRN Cc1ccc(N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)Cc2cccs2)cc1 ZINC001459685836 1067383253 /nfs/dbraw/zinc/38/32/53/1067383253.db2.gz CMYQWRWFHXPAQL-UHFFFAOYSA-N 0 0 451.548 4.573 20 0 JJADRN CC1CCC(N(C(=O)CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C2CC2)CC1 ZINC001459687195 1067383756 /nfs/dbraw/zinc/38/37/56/1067383756.db2.gz GSAQYTGSNWEQEY-FFYTWODTSA-N 0 0 452.426 4.966 20 0 JJADRN Cc1ccc(CN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c2ccc(F)cc2)o1 ZINC001459687520 1067383766 /nfs/dbraw/zinc/38/37/66/1067383766.db2.gz QWXRYUAOKGFZQE-UHFFFAOYSA-N 0 0 454.502 4.855 20 0 JJADRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001459688559 1067384136 /nfs/dbraw/zinc/38/41/36/1067384136.db2.gz OTYVTMQOJNXJJC-UHFFFAOYSA-N 0 0 459.346 4.610 20 0 JJADRN COc1ccc(-c2cc(NC(=O)CCCNC(=O)c3cccnc3)ccc2OC(F)F)cc1 ZINC001459688985 1067384451 /nfs/dbraw/zinc/38/44/51/1067384451.db2.gz ZTOHJHCRRRAINI-UHFFFAOYSA-N 0 0 455.461 4.507 20 0 JJADRN CCCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1CC)[C@H](C)C(=O)Nc1ccccc1C ZINC001459688890 1067384627 /nfs/dbraw/zinc/38/46/27/1067384627.db2.gz CSPBVTSICNRAKS-QGZVFWFLSA-N 0 0 453.974 4.671 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001459689696 1067384853 /nfs/dbraw/zinc/38/48/53/1067384853.db2.gz FOHCNPHWZKFXJT-FQEVSTJZSA-N 0 0 451.350 4.567 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(F)c(F)cc1I ZINC001459689992 1067384931 /nfs/dbraw/zinc/38/49/31/1067384931.db2.gz LOTQQQQMDCPOQI-XLKFXECMSA-N 0 0 451.613 4.648 20 0 JJADRN CCCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459693362 1067385646 /nfs/dbraw/zinc/38/56/46/1067385646.db2.gz LOPGGAJMRGSKGD-SFHVURJKSA-N 0 0 454.571 4.545 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001459693788 1067386020 /nfs/dbraw/zinc/38/60/20/1067386020.db2.gz IEKLOVWIFJEKCZ-IBGZPJMESA-N 0 0 459.631 4.814 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1=O ZINC001459695298 1067386199 /nfs/dbraw/zinc/38/61/99/1067386199.db2.gz YDUVQBCGFCGPFD-STRKUORWSA-N 0 0 455.396 4.988 20 0 JJADRN COc1ccccc1C[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC001459695200 1067386210 /nfs/dbraw/zinc/38/62/10/1067386210.db2.gz MIWNDZZJJDWAOL-KRWDZBQOSA-N 0 0 452.551 4.926 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001459695535 1067386661 /nfs/dbraw/zinc/38/66/61/1067386661.db2.gz QMGYZUBDYZBAOF-UHFFFAOYSA-N 0 0 452.498 4.980 20 0 JJADRN CCCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459696112 1067386950 /nfs/dbraw/zinc/38/69/50/1067386950.db2.gz QELGCPADJWETQH-INIZCTEOSA-N 0 0 457.937 4.556 20 0 JJADRN Cc1ccc(C2=NN(C(=O)CNC3(C(=O)OC(C)(C)C)CCCC3)[C@@H](c3ccco3)C2)cc1 ZINC001459698688 1067387201 /nfs/dbraw/zinc/38/72/01/1067387201.db2.gz ISZCZEAHGVOMBW-OAQYLSRUSA-N 0 0 451.567 4.510 20 0 JJADRN COc1ccccc1C[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001459698178 1067387436 /nfs/dbraw/zinc/38/74/36/1067387436.db2.gz ZAHDWLGAHHXNHN-KRWDZBQOSA-N 0 0 454.596 4.891 20 0 JJADRN C[C@@H]1C[C@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC001459699784 1067387755 /nfs/dbraw/zinc/38/77/55/1067387755.db2.gz KEZBHJSXXFKGBM-CVEARBPZSA-N 0 0 458.462 4.970 20 0 JJADRN Cc1cc(CNC(=O)CCc2ccc(Br)cc2)ccc1I ZINC001459699393 1067387766 /nfs/dbraw/zinc/38/77/66/1067387766.db2.gz IJGQGEOEZIZKDT-UHFFFAOYSA-N 0 0 458.137 4.611 20 0 JJADRN COc1ccccc1CN(C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001459699205 1067387776 /nfs/dbraw/zinc/38/77/76/1067387776.db2.gz QOGNIOIETYOMIQ-IEBWSBKVSA-N 0 0 466.582 4.787 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC001459699950 1067387814 /nfs/dbraw/zinc/38/78/14/1067387814.db2.gz JJJGRDBJAXXNGT-CABCVRRESA-N 0 0 457.368 4.824 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)cc2)c1C ZINC001459700531 1067388032 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JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(CCc1ccccn1)Cc1cccnc1 ZINC001459709921 1067391155 /nfs/dbraw/zinc/39/11/55/1067391155.db2.gz JFJSPHCKSVWXOG-UHFFFAOYSA-N 0 0 451.452 4.566 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC001459711702 1067391805 /nfs/dbraw/zinc/39/18/05/1067391805.db2.gz YPEVRIKUVKTOSR-UHFFFAOYSA-N 0 0 455.461 4.700 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459712340 1067391884 /nfs/dbraw/zinc/39/18/84/1067391884.db2.gz BJVHNDBEFGPQPL-HOCLYGCPSA-N 0 0 458.921 4.744 20 0 JJADRN COCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001459713618 1067392582 /nfs/dbraw/zinc/39/25/82/1067392582.db2.gz CFYYCRHCVGNFKV-SFHVURJKSA-N 0 0 454.445 4.893 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC001459716175 1067393577 /nfs/dbraw/zinc/39/35/77/1067393577.db2.gz GGHZYXSXWMVRQN-JOCHJYFZSA-N 0 0 456.539 4.699 20 0 JJADRN CC(C)c1oc([C@H]2CCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC001459718195 1067394803 /nfs/dbraw/zinc/39/48/03/1067394803.db2.gz RFIGIZIVHDWHEY-YADHBBJMSA-N 0 0 454.592 4.739 20 0 JJADRN NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC001459720790 1067395464 /nfs/dbraw/zinc/39/54/64/1067395464.db2.gz JEHSEFCILXEODK-QGZVFWFLSA-N 0 0 451.979 4.594 20 0 JJADRN Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001459721244 1067395574 /nfs/dbraw/zinc/39/55/74/1067395574.db2.gz XHHXHGNREIDWGA-UHFFFAOYSA-N 0 0 453.892 4.500 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN(C)[C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722500 1067395778 /nfs/dbraw/zinc/39/57/78/1067395778.db2.gz RDMXPLVLYOYIHB-LBPRGKRZSA-N 0 0 456.178 4.857 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN(C)[C@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722495 1067396021 /nfs/dbraw/zinc/39/60/21/1067396021.db2.gz RDMXPLVLYOYIHB-GFCCVEGCSA-N 0 0 456.178 4.857 20 0 JJADRN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001459724031 1067396249 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CO[C@H]1CCOc2c(NC(=O)Cc3ccc(Br)c(Br)c3)cccc21 ZINC001459728972 1067398107 /nfs/dbraw/zinc/39/81/07/1067398107.db2.gz CBBRUECCLZDGSL-INIZCTEOSA-N 0 0 455.146 4.863 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001459729872 1067398292 /nfs/dbraw/zinc/39/82/92/1067398292.db2.gz OMSMFUZUBCKUDP-LBPRGKRZSA-N 0 0 452.329 4.882 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730098 1067398379 /nfs/dbraw/zinc/39/83/79/1067398379.db2.gz KGGWDLKNPXVFND-ZDUSSCGKSA-N 0 0 456.306 4.900 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3cccc(NC(=O)N(C)C)c3C)cn2c1 ZINC001459732119 1067399124 /nfs/dbraw/zinc/39/91/24/1067399124.db2.gz QDANMRJTXKBNQH-UHFFFAOYSA-N 0 0 457.534 4.876 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc(Cl)c1F ZINC001459734476 1067399346 /nfs/dbraw/zinc/39/93/46/1067399346.db2.gz PMGFHIOSDPZBHW-UHFFFAOYSA-N 0 0 459.758 4.862 20 0 JJADRN COC(=O)c1cc(F)cc(NC(=O)c2ccc(OC(F)(F)F)cc2Br)c1F ZINC001459735579 1067399509 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BTUAXTHUSSKEGY-JOCHJYFZSA-N 0 0 452.982 4.663 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)C1CC1 ZINC001459742806 1067402482 /nfs/dbraw/zinc/40/24/82/1067402482.db2.gz PZXMJWGPBJTEIR-YDFBLROQSA-N 0 0 454.954 4.844 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC)C1CC1 ZINC001459744027 1067403070 /nfs/dbraw/zinc/40/30/70/1067403070.db2.gz SECKNSDANXHVGE-NWSQWKLXSA-N 0 0 457.954 4.756 20 0 JJADRN O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001459744955 1067403326 /nfs/dbraw/zinc/40/33/26/1067403326.db2.gz UXUCHVHVSXBAIH-HNNXBMFYSA-N 0 0 453.302 4.911 20 0 JJADRN CCN(CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1OC ZINC001459744821 1067403342 /nfs/dbraw/zinc/40/33/42/1067403342.db2.gz ZCFAGAUKYMYMOY-UHFFFAOYSA-N 0 0 454.574 4.750 20 0 JJADRN CCN(CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1cccc(Br)c1 ZINC001459746531 1067403956 /nfs/dbraw/zinc/40/39/56/1067403956.db2.gz AJEDRPRCGIHCNO-UHFFFAOYSA-N 0 0 458.444 4.743 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)Nc3ccnn3-c3ccc(Br)cn3)cc2)c1 ZINC001459747327 1067404513 /nfs/dbraw/zinc/40/45/13/1067404513.db2.gz GOLBSYJJVQRWIG-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC(C)(C)N(C)c2cc(Br)ccc21 ZINC001459748236 1067404991 /nfs/dbraw/zinc/40/49/91/1067404991.db2.gz LAPBHUPLTQCJPB-HNNXBMFYSA-N 0 0 453.384 4.833 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC(C)(C)N(C)c2cc(Br)ccc21 ZINC001459748243 1067405028 /nfs/dbraw/zinc/40/50/28/1067405028.db2.gz LAPBHUPLTQCJPB-OAHLLOKOSA-N 0 0 453.384 4.833 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)c1 ZINC001459749396 1067405346 /nfs/dbraw/zinc/40/53/46/1067405346.db2.gz RNWHXJQKELHJTJ-UHFFFAOYSA-N 0 0 451.748 4.764 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1)OCc1ccccc1 ZINC001459752792 1067406872 /nfs/dbraw/zinc/40/68/72/1067406872.db2.gz GUTXAQRNYMKPNF-GOSISDBHSA-N 0 0 453.539 4.728 20 0 JJADRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(I)cc1Cl ZINC001459754461 1067407955 /nfs/dbraw/zinc/40/79/55/1067407955.db2.gz LBZNZECQCYIVEC-AWEZNQCLSA-N 0 0 454.739 4.591 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)COc1ccc(Br)cc1Cl ZINC001459756704 1067408843 /nfs/dbraw/zinc/40/88/43/1067408843.db2.gz FVORRGGJVSXYNS-UHFFFAOYSA-N 0 0 456.674 4.799 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(Br)cn3)C2)n1 ZINC001459756757 1067408917 /nfs/dbraw/zinc/40/89/17/1067408917.db2.gz DPBMVKBPQBDSHP-CQSZACIVSA-N 0 0 458.381 4.996 20 0 JJADRN O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1scc(Br)c1Br ZINC001459757431 1067409462 /nfs/dbraw/zinc/40/94/62/1067409462.db2.gz IHLIYFUQVZPDPY-LDWIPMOCSA-N 0 0 452.086 4.787 20 0 JJADRN C[C@@H](OCCCNC(=O)CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757868 1067409908 /nfs/dbraw/zinc/40/99/08/1067409908.db2.gz AMOQDEWIKITVSN-XLIONFOSSA-N 0 0 451.394 4.731 20 0 JJADRN COc1ccccc1N1C[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)CC1=O ZINC001459758632 1067410303 /nfs/dbraw/zinc/41/03/03/1067410303.db2.gz CMTOLGSQYXJKTC-MRXNPFEDSA-N 0 0 452.942 4.649 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccnc(Br)c3)C2)n1 ZINC001459758865 1067410335 /nfs/dbraw/zinc/41/03/35/1067410335.db2.gz NDVLLDPTHKYVKH-OAHLLOKOSA-N 0 0 458.381 4.996 20 0 JJADRN COc1ccc2c(c1)CN(CC(=O)NCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)C2 ZINC001459759637 1067410801 /nfs/dbraw/zinc/41/08/01/1067410801.db2.gz ICALGQVWWYKREQ-XMMPIXPASA-N 0 0 452.501 4.712 20 0 JJADRN COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)sc1C ZINC001459760163 1067411401 /nfs/dbraw/zinc/41/14/01/1067411401.db2.gz FDNAVVJZCBBIJK-WBMJQRKESA-N 0 0 456.486 4.679 20 0 JJADRN CC(C)c1c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cnn1-c1ccccc1Cl ZINC001459760409 1067411806 /nfs/dbraw/zinc/41/18/06/1067411806.db2.gz NIPNADGFDYTENK-MRXNPFEDSA-N 0 0 452.942 4.792 20 0 JJADRN CC(C)c1c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cnn1-c1ccccc1Cl ZINC001459760405 1067411935 /nfs/dbraw/zinc/41/19/35/1067411935.db2.gz NIPNADGFDYTENK-INIZCTEOSA-N 0 0 452.942 4.792 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1cc(F)c(Cl)cc1F ZINC001459763429 1067412827 /nfs/dbraw/zinc/41/28/27/1067412827.db2.gz NEZIJCXDAQBBSF-NSDNCLLMSA-N 0 0 453.316 4.982 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 ZINC001459764520 1067413411 /nfs/dbraw/zinc/41/34/11/1067413411.db2.gz LXQAWJZZMGNSIQ-UHFFFAOYSA-N 0 0 457.470 4.507 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC001459765116 1067413510 /nfs/dbraw/zinc/41/35/10/1067413510.db2.gz UFLKOXWSPURPOI-GJZGRUSLSA-N 0 0 450.913 4.717 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H]3CC[C@H](C)C3)[C@@H]2c2ccccc2OC)cc1 ZINC001459767812 1067414434 /nfs/dbraw/zinc/41/44/34/1067414434.db2.gz HCYSYMVMWPRGMO-JRNKBRHVSA-N 0 0 450.579 4.741 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC001459768010 1067414458 /nfs/dbraw/zinc/41/44/58/1067414458.db2.gz HBMLUKIEIRFTTO-HXOBKFHXSA-N 0 0 456.587 4.703 20 0 JJADRN CCOC(=O)Nc1ccc2c(CN(Cc3ccnc(OC(C)C)c3)C3CC3)cc(=O)oc2c1 ZINC001459771772 1067415470 /nfs/dbraw/zinc/41/54/70/1067415470.db2.gz APFYPNMOLNARHR-UHFFFAOYSA-N 0 0 451.523 4.708 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(OC(C)(C)C)CC2)cc1 ZINC001459776758 1067417259 /nfs/dbraw/zinc/41/72/59/1067417259.db2.gz UKZGTVSOWRDOQY-SFHVURJKSA-N 0 0 453.583 4.554 20 0 JJADRN C[C@@H](CC(=O)OCc1ccc(OC(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC001459778390 1067417587 /nfs/dbraw/zinc/41/75/87/1067417587.db2.gz QHRNNCLWZKDMRS-NSHDSACASA-N 0 0 454.825 4.673 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3CSc4ccc(Br)cc43)c(C)c12 ZINC001459778623 1067417827 /nfs/dbraw/zinc/41/78/27/1067417827.db2.gz HLBBGUKFIHBWRI-QGZVFWFLSA-N 0 0 459.413 4.552 20 0 JJADRN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@H]1CSc2ccc(Br)cc21 ZINC001459783938 1067420986 /nfs/dbraw/zinc/42/09/86/1067420986.db2.gz YYNAPOWHDFYUMW-HNNXBMFYSA-N 0 0 456.814 4.982 20 0 JJADRN CCCN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c2cc(F)ccc21 ZINC001459787166 1067422193 /nfs/dbraw/zinc/42/21/93/1067422193.db2.gz BGQIIGGUTDUWGF-JOCHJYFZSA-N 0 0 457.546 4.663 20 0 JJADRN O=C1[C@@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788366 1067422957 /nfs/dbraw/zinc/42/29/57/1067422957.db2.gz PEGKLVWTPVYNDV-YOEHRIQHSA-N 0 0 459.484 4.811 20 0 JJADRN CCc1c(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC001459790415 1067423943 /nfs/dbraw/zinc/42/39/43/1067423943.db2.gz GMMWLHFZDWNPAA-AUUYWEPGSA-N 0 0 450.942 4.622 20 0 JJADRN O=C(Cn1cc(Br)ccc1=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459791100 1067423955 /nfs/dbraw/zinc/42/39/55/1067423955.db2.gz DMEFKYHGJKVHRK-KRWDZBQOSA-N 0 0 457.290 4.774 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC001459791300 1067424506 /nfs/dbraw/zinc/42/45/06/1067424506.db2.gz JZARUYYVMJLESI-CGTJXYLNSA-N 0 0 453.149 4.895 20 0 JJADRN CC(C)C[C@@](C)(NC(=O)c1ccc(Cn2ccccc2=O)o1)c1cccc(Br)c1 ZINC001459792285 1067424817 /nfs/dbraw/zinc/42/48/17/1067424817.db2.gz MEZSDHDZADGJQC-HSZRJFAPSA-N 0 0 457.368 4.943 20 0 JJADRN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001459792175 1067424853 /nfs/dbraw/zinc/42/48/53/1067424853.db2.gz MDBXLXLRLUSDNZ-ZDUSSCGKSA-N 0 0 459.340 4.866 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)NCc3nc(-c4cccc(Br)c4)no3)c2n1 ZINC001459792527 1067425567 /nfs/dbraw/zinc/42/55/67/1067425567.db2.gz NWVLAWQRFVVLKB-UHFFFAOYSA-N 0 0 457.715 4.939 20 0 JJADRN CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1cc(Br)cn1C ZINC001459798881 1067427609 /nfs/dbraw/zinc/42/76/09/1067427609.db2.gz DIVVDYQKMHHBRJ-SFHVURJKSA-N 0 0 459.215 4.890 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001459795305 1067427666 /nfs/dbraw/zinc/42/76/66/1067427666.db2.gz KGDDFUCILSYDKW-YJBOKZPZSA-N 0 0 450.284 4.762 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC001459798211 1067428189 /nfs/dbraw/zinc/42/81/89/1067428189.db2.gz MTIWKQBIGVAQHF-PGRDOPGGSA-N 0 0 451.394 4.695 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001459798248 1067428585 /nfs/dbraw/zinc/42/85/85/1067428585.db2.gz SIOISMWNGSSDPM-LBPRGKRZSA-N 0 0 451.778 4.853 20 0 JJADRN C[C@H](O)[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799548 1067429152 /nfs/dbraw/zinc/42/91/52/1067429152.db2.gz UAYWYJHQSWTVEU-RXVVDRJESA-N 0 0 453.583 4.575 20 0 JJADRN C[C@@H](O)[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799542 1067429211 /nfs/dbraw/zinc/42/92/11/1067429211.db2.gz UAYWYJHQSWTVEU-NQIIRXRSSA-N 0 0 453.583 4.575 20 0 JJADRN CC(C)(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(OC(F)(F)F)cc1 ZINC001459802666 1067430244 /nfs/dbraw/zinc/43/02/44/1067430244.db2.gz WZVRJSOFPAXRJJ-UHFFFAOYSA-N 0 0 450.457 4.680 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC001459810527 1067432691 /nfs/dbraw/zinc/43/26/91/1067432691.db2.gz QPEMVUGPFIMOCC-QWHCGFSZSA-N 0 0 452.780 4.874 20 0 JJADRN COc1cc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)ccc1C(F)(F)F ZINC001459810953 1067433342 /nfs/dbraw/zinc/43/33/42/1067433342.db2.gz SYWHRYFPCNXFIY-OAQYLSRUSA-N 0 0 456.420 4.909 20 0 JJADRN COC(=O)c1ccc2c(c1)CN(CC(=O)Nc1ccc(Oc3cccc(Cl)c3)cc1)CC2 ZINC001459811419 1067433347 /nfs/dbraw/zinc/43/33/47/1067433347.db2.gz CEIPYZQEQIKENN-UHFFFAOYSA-N 0 0 450.922 4.916 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001546112051 1067434860 /nfs/dbraw/zinc/43/48/60/1067434860.db2.gz ATHDVSLDRCJGND-UHFFFAOYSA-N 0 0 483.078 4.740 20 0 JJADRN C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)NCCC1(C)CC1 ZINC001459813293 1067434912 /nfs/dbraw/zinc/43/49/12/1067434912.db2.gz WCRUZSQNKQMDQV-NSHDSACASA-N 0 0 458.727 4.567 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459815859 1067435379 /nfs/dbraw/zinc/43/53/79/1067435379.db2.gz AXBJOWIQKPTTKG-MRXNPFEDSA-N 0 0 450.385 4.791 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1 ZINC001459816774 1067435999 /nfs/dbraw/zinc/43/59/99/1067435999.db2.gz IRUVDMMNVLWZTB-HSZRJFAPSA-N 0 0 457.574 4.777 20 0 JJADRN Cc1cc(=O)c(C(=O)OCc2ncc(C(C)(C)C)s2)nn1-c1cccc(C(F)(F)F)c1 ZINC001459816173 1067436040 /nfs/dbraw/zinc/43/60/40/1067436040.db2.gz ZVNYEIZUAFNNCL-UHFFFAOYSA-N 0 0 451.470 4.671 20 0 JJADRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001459818121 1067437069 /nfs/dbraw/zinc/43/70/69/1067437069.db2.gz FEUMZPRBQGJTCS-KXBFYZLASA-N 0 0 452.473 4.898 20 0 JJADRN O=S(=O)(NC1CCCC1)[C@@H]1CCCN([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819562 1067437792 /nfs/dbraw/zinc/43/77/92/1067437792.db2.gz OBTRZXMOINBCIW-DHIUTWEWSA-N 0 0 451.007 4.895 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001459820047 1067438333 /nfs/dbraw/zinc/43/83/33/1067438333.db2.gz NHOLPHIBRPTANA-NSHDSACASA-N 0 0 452.407 4.590 20 0 JJADRN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1cc(Cl)ccc1OC(F)F ZINC001459824374 1067440225 /nfs/dbraw/zinc/44/02/25/1067440225.db2.gz KHWJELLZLDTMQY-AYVTZFPOSA-N 0 0 451.670 4.720 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC001459826533 1067441302 /nfs/dbraw/zinc/44/13/02/1067441302.db2.gz OQOLGMAEXWFCEX-VXKWHMMOSA-N 0 0 455.601 4.541 20 0 JJADRN COC(=O)C(C)(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1 ZINC001459827246 1067441662 /nfs/dbraw/zinc/44/16/62/1067441662.db2.gz YSXTUGVXQNFVHR-OAQYLSRUSA-N 0 0 455.555 4.997 20 0 JJADRN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001459828269 1067442250 /nfs/dbraw/zinc/44/22/50/1067442250.db2.gz RMTAJJYRZIXMLX-DLBZAZTESA-N 0 0 450.564 4.552 20 0 JJADRN O=C(CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC001459829953 1067443337 /nfs/dbraw/zinc/44/33/37/1067443337.db2.gz GXYJVGFYYBYDBF-CQSZACIVSA-N 0 0 458.817 4.700 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCc2cc(F)ccc2Br)n1 ZINC001459833748 1067445408 /nfs/dbraw/zinc/44/54/08/1067445408.db2.gz GGLSSWKLCNTJNP-INIZCTEOSA-N 0 0 455.349 4.518 20 0 JJADRN Cc1ccc(/C=C/C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cn1 ZINC001459834500 1067445449 /nfs/dbraw/zinc/44/54/49/1067445449.db2.gz SMWOSTKDRNYMSK-CMDGGOBGSA-N 0 0 453.340 4.622 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)n1 ZINC001459834668 1067445901 /nfs/dbraw/zinc/44/59/01/1067445901.db2.gz KIGMPSAPJYRDEO-KRWDZBQOSA-N 0 0 458.971 4.504 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC001459835572 1067446502 /nfs/dbraw/zinc/44/65/02/1067446502.db2.gz WWCQEJVESWTUOU-LJQANCHMSA-N 0 0 451.773 4.690 20 0 JJADRN Cc1cc(Br)cc2c1CN(CC(=O)NCc1ccccc1OC1CCCC1)CC2 ZINC001459839068 1067447553 /nfs/dbraw/zinc/44/75/53/1067447553.db2.gz VXLZUBCOJUCNNP-UHFFFAOYSA-N 0 0 457.412 4.753 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001459840641 1067448093 /nfs/dbraw/zinc/44/80/93/1067448093.db2.gz MOIZSSLKIZYVRG-INIZCTEOSA-N 0 0 456.167 4.990 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)OC ZINC001459841806 1067448541 /nfs/dbraw/zinc/44/85/41/1067448541.db2.gz PTRZUNHIRULSMG-QFIPXVFZSA-N 0 0 454.954 4.843 20 0 JJADRN O=C(Cn1ccc2ccc(Cl)cc21)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001459841954 1067448684 /nfs/dbraw/zinc/44/86/84/1067448684.db2.gz QHFURLUMSYLERY-QGZVFWFLSA-N 0 0 450.753 4.913 20 0 JJADRN COCC1(C)CCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)CC1 ZINC001459842772 1067449548 /nfs/dbraw/zinc/44/95/48/1067449548.db2.gz PFJQNDREZJDVNK-UHFFFAOYSA-N 0 0 450.988 4.542 20 0 JJADRN CCn1c(CNC(=O)c2ccnc(Oc3ccccc3)c2)nc2cc(Br)ccc21 ZINC001459842792 1067450054 /nfs/dbraw/zinc/45/00/54/1067450054.db2.gz VDDPNRIIUOZSIV-UHFFFAOYSA-N 0 0 451.324 4.936 20 0 JJADRN COC(=O)c1c(C)c(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)ccc1Br ZINC001459844565 1067450584 /nfs/dbraw/zinc/45/05/84/1067450584.db2.gz IZEPYHBFEPMNBY-UHFFFAOYSA-N 0 0 457.111 4.751 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)Cc2ccc(Br)cc2C)c1C ZINC001459843964 1067450648 /nfs/dbraw/zinc/45/06/48/1067450648.db2.gz HFEINUMFDQKMLP-UHFFFAOYSA-N 0 0 455.146 4.796 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC001459846283 1067452073 /nfs/dbraw/zinc/45/20/73/1067452073.db2.gz WDAFFWSIOQQOEA-JOCHJYFZSA-N 0 0 451.592 4.759 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001459848092 1067453115 /nfs/dbraw/zinc/45/31/15/1067453115.db2.gz AMCFECQVQNZJKM-FIXSFTCYSA-N 0 0 452.595 4.974 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N(CCOC)Cc2cc(Br)cs2)c1 ZINC001459851039 1067456181 /nfs/dbraw/zinc/45/61/81/1067456181.db2.gz SJBDEALQQMPFTD-UHFFFAOYSA-N 0 0 459.337 4.507 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1c(F)cccc1F)c1ccc2ccccc2c1 ZINC001459853163 1067457841 /nfs/dbraw/zinc/45/78/41/1067457841.db2.gz SXLNISJOHPAZON-OAQYLSRUSA-N 0 0 455.505 4.912 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)CCCOc2cccc3ccccc32)cc1 ZINC001459855115 1067458701 /nfs/dbraw/zinc/45/87/01/1067458701.db2.gz IPWVJHHGJXEFDP-UHFFFAOYSA-N 0 0 454.592 4.691 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)c1ccc(Oc2cccnc2)cc1 ZINC001459855265 1067458775 /nfs/dbraw/zinc/45/87/75/1067458775.db2.gz AUQOTBMGSQDDAJ-AWEZNQCLSA-N 0 0 455.308 4.899 20 0 JJADRN CCOC(=O)c1c(NC(=O)CNC2(c3ccccc3OC)CCC2)sc2c1CC[C@H](C)C2 ZINC001459858094 1067460317 /nfs/dbraw/zinc/46/03/17/1067460317.db2.gz ABVFYGRHXLTKCF-INIZCTEOSA-N 0 0 456.608 4.666 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)c3ccc(Oc4cccnc4)cc3)CCC(=O)N2C)cc1 ZINC001459858560 1067460811 /nfs/dbraw/zinc/46/08/11/1067460811.db2.gz YJAUMGLBXILDRM-GJECAEJISA-N 0 0 459.546 4.669 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2=O)ccc1Br ZINC001459859145 1067460864 /nfs/dbraw/zinc/46/08/64/1067460864.db2.gz SFHIVQLXMIEEMC-XUVXKRRUSA-N 0 0 455.396 4.953 20 0 JJADRN COc1cc(F)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860494 1067461450 /nfs/dbraw/zinc/46/14/50/1067461450.db2.gz XYDJFORYSDEKIY-DLBZAZTESA-N 0 0 450.510 4.752 20 0 JJADRN COC(=O)[C@@H](N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001459860452 1067461469 /nfs/dbraw/zinc/46/14/69/1067461469.db2.gz WYQDEGSJERMYIN-BTYIYWSLSA-N 0 0 457.452 4.918 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)o1 ZINC001459861408 1067461807 /nfs/dbraw/zinc/46/18/07/1067461807.db2.gz RTRVMWLFTOJUPX-IRXDYDNUSA-N 0 0 452.555 4.728 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001459862219 1067461943 /nfs/dbraw/zinc/46/19/43/1067461943.db2.gz DCFWGGPIKWNYSK-HXUWFJFHSA-N 0 0 456.562 4.547 20 0 JJADRN Cc1cc([C@@H](OC(=O)CCNC(=O)c2cccs2)C(F)(F)F)ccc1Br ZINC001459864185 1067463061 /nfs/dbraw/zinc/46/30/61/1067463061.db2.gz NHXWFHHDGPNQHL-OAHLLOKOSA-N 0 0 450.276 4.786 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2cn(Cc3ccccc3)nn2)C(F)(F)F)ccc1Br ZINC001459865905 1067463642 /nfs/dbraw/zinc/46/36/42/1067463642.db2.gz RKTGNTNFZBVWMS-QGZVFWFLSA-N 0 0 454.246 4.858 20 0 JJADRN Brc1ccc(-c2nc(CN[C@H](CN3CCOCC3)c3ccccc3)cs2)cc1 ZINC001459865511 1067463681 /nfs/dbraw/zinc/46/36/81/1067463681.db2.gz XARSBBLFKXRMQS-OAQYLSRUSA-N 0 0 458.425 4.736 20 0 JJADRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001459867052 1067464721 /nfs/dbraw/zinc/46/47/21/1067464721.db2.gz SIJCWKWAGJSCNE-OAHLLOKOSA-N 0 0 453.852 4.566 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CCCC1 ZINC001459868606 1067465266 /nfs/dbraw/zinc/46/52/66/1067465266.db2.gz JRJGGTLZZIKMRV-IBGZPJMESA-N 0 0 456.391 4.587 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1cccc2c1CNC2=O)NC1CCCCCCC1 ZINC001459868508 1067465327 /nfs/dbraw/zinc/46/53/27/1067465327.db2.gz WYMSDTBMLBKQMG-UHFFFAOYSA-N 0 0 451.592 4.504 20 0 JJADRN CC(C)(C)c1ccc(C2CCC(NC(=O)CCOc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC001459869119 1067465860 /nfs/dbraw/zinc/46/58/60/1067465860.db2.gz ILIVPRHSNXXOSA-UHFFFAOYSA-N 0 0 457.636 4.999 20 0 JJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC=C(c2ccc(CC)cc2)CC1 ZINC001459871527 1067467743 /nfs/dbraw/zinc/46/77/43/1067467743.db2.gz AZNHJPODJQFWEZ-UHFFFAOYSA-N 0 0 454.592 4.726 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001459872482 1067467809 /nfs/dbraw/zinc/46/78/09/1067467809.db2.gz ROYRVHDKTYIDCW-QGZVFWFLSA-N 0 0 456.587 4.772 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001459873172 1067468359 /nfs/dbraw/zinc/46/83/59/1067468359.db2.gz VUNANLLCLMUHGN-MRXNPFEDSA-N 0 0 453.370 4.617 20 0 JJADRN COC(=O)c1cc(Br)c(CN(Cc2cccs2)CC(F)(F)F)cc1OC ZINC001459875545 1067469400 /nfs/dbraw/zinc/46/94/00/1067469400.db2.gz LMJKXZZDKXTQND-UHFFFAOYSA-N 0 0 452.292 4.870 20 0 JJADRN COc1cc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc(OC)c1C(C)C ZINC001459881520 1067471709 /nfs/dbraw/zinc/47/17/09/1067471709.db2.gz ORYHISLQEVWYRI-HSZRJFAPSA-N 0 0 451.485 4.978 20 0 JJADRN COC1(CNC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CCC(c2ccccc2)CC1 ZINC001459883597 1067472303 /nfs/dbraw/zinc/47/23/03/1067472303.db2.gz YOUSSPWGTGREHI-UHFFFAOYSA-N 0 0 451.542 4.976 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)cc1F ZINC001459885837 1067473189 /nfs/dbraw/zinc/47/31/89/1067473189.db2.gz ZUOQOSXVEYASAC-CQSZACIVSA-N 0 0 458.921 4.955 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCc2cccc(F)c2C1 ZINC001459887676 1067473592 /nfs/dbraw/zinc/47/35/92/1067473592.db2.gz YRGAZAIKDYVCCY-NSHDSACASA-N 0 0 456.153 4.736 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)c2ccco2)C1 ZINC001546112532 1067474101 /nfs/dbraw/zinc/47/41/01/1067474101.db2.gz VHMPRIAXSCGQAY-UHFFFAOYSA-N 0 0 465.598 4.513 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc(Cl)c(F)c2)cc1 ZINC001459888742 1067474218 /nfs/dbraw/zinc/47/42/18/1067474218.db2.gz KSKXIQSJAXMZHO-UHFFFAOYSA-N 0 0 453.945 4.788 20 0 JJADRN CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459889801 1067474672 /nfs/dbraw/zinc/47/46/72/1067474672.db2.gz IJMPZJYUMAUXCW-OXJNMPFZSA-N 0 0 459.612 4.722 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cnc1Br)O[C@@H](C)C2 ZINC001459889392 1067474683 /nfs/dbraw/zinc/47/46/83/1067474683.db2.gz HOZFIVJKHHXQJS-XEGUGMAKSA-N 0 0 451.748 4.962 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cnc1Br)O[C@H](C)C2 ZINC001459889385 1067474700 /nfs/dbraw/zinc/47/47/00/1067474700.db2.gz HOZFIVJKHHXQJS-RIEGTJTDSA-N 0 0 451.748 4.962 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)ccc12 ZINC001459889530 1067474717 /nfs/dbraw/zinc/47/47/17/1067474717.db2.gz GLPKCLQEELJFIL-LLBVYWAGSA-N 0 0 454.567 4.880 20 0 JJADRN CCOC(=O)CN(CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC001459891630 1067475668 /nfs/dbraw/zinc/47/56/68/1067475668.db2.gz OAEQSYRZPRXAJF-SQJMNOBHSA-N 0 0 452.595 4.765 20 0 JJADRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001459892105 1067475809 /nfs/dbraw/zinc/47/58/09/1067475809.db2.gz VMDLBRPNEHRZQD-MRXNPFEDSA-N 0 0 457.294 4.708 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1 ZINC001459892655 1067476308 /nfs/dbraw/zinc/47/63/08/1067476308.db2.gz FEABZKMQKVOXOO-XMMPIXPASA-N 0 0 454.526 4.934 20 0 JJADRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001459892743 1067476371 /nfs/dbraw/zinc/47/63/71/1067476371.db2.gz XGTAIGIEJLYLNN-GOSISDBHSA-N 0 0 452.864 4.985 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)ccc12 ZINC001459893449 1067476616 /nfs/dbraw/zinc/47/66/16/1067476616.db2.gz GTUBLKOWVTTYBG-UHFFFAOYSA-N 0 0 459.951 4.504 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)s1 ZINC001459893835 1067476705 /nfs/dbraw/zinc/47/67/05/1067476705.db2.gz DYSLTGXXPMRQJP-NEPJUHHUSA-N 0 0 457.987 4.573 20 0 JJADRN Cc1cc(Cl)c(OC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1F ZINC001459898839 1067478580 /nfs/dbraw/zinc/47/85/80/1067478580.db2.gz LXZWVOBKMHTBIC-UHFFFAOYSA-N 0 0 453.963 4.890 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CCc2ccc3c(c2)CCO3)C1 ZINC001459899258 1067479362 /nfs/dbraw/zinc/47/93/62/1067479362.db2.gz IRHHLRYNYYRZGE-NRFANRHFSA-N 0 0 457.412 4.719 20 0 JJADRN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ncc(-c2ccccc2)o1 ZINC001459900931 1067479652 /nfs/dbraw/zinc/47/96/52/1067479652.db2.gz ZDQZDMMQBMNMEJ-ZWKOTPCHSA-N 0 0 458.518 4.542 20 0 JJADRN C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900917 1067479729 /nfs/dbraw/zinc/47/97/29/1067479729.db2.gz ZDQZDMMQBMNMEJ-MSOLQXFVSA-N 0 0 458.518 4.542 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc(C)cc2Sc2ccccc2)s1 ZINC001459900934 1067480319 /nfs/dbraw/zinc/48/03/19/1067480319.db2.gz WNQIFMSJBRSORX-CVEARBPZSA-N 0 0 454.621 4.953 20 0 JJADRN COc1cc(-c2noc(CN[C@@H](CC(F)(F)F)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC001459905159 1067482439 /nfs/dbraw/zinc/48/24/39/1067482439.db2.gz RCWIIDMZLAMILA-INIZCTEOSA-N 0 0 451.445 4.854 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1nnnn1-c1ccccc1Br ZINC001459905647 1067482656 /nfs/dbraw/zinc/48/26/56/1067482656.db2.gz KPRGGHPDEJKHED-ZDUSSCGKSA-N 0 0 455.385 4.708 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001459907812 1067484153 /nfs/dbraw/zinc/48/41/53/1067484153.db2.gz CXTDHTTWBFRYIB-NHCUHLMSSA-N 0 0 454.567 4.721 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2cccn3ncc(Br)c23)ccc1Cl ZINC001459909501 1067484560 /nfs/dbraw/zinc/48/45/60/1067484560.db2.gz VDFFZZRJELEFNA-UHFFFAOYSA-N 0 0 453.749 4.776 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC001459909323 1067484602 /nfs/dbraw/zinc/48/46/02/1067484602.db2.gz IMQPYAQTSWUASS-VGSWGCGISA-N 0 0 452.530 4.679 20 0 JJADRN CCc1ccc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)C2)cc1 ZINC001459910317 1067485887 /nfs/dbraw/zinc/48/58/87/1067485887.db2.gz FBFBEARTLBEUOU-HYBUGGRVSA-N 0 0 454.636 4.689 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001459912027 1067486748 /nfs/dbraw/zinc/48/67/48/1067486748.db2.gz QVFOQDNAODQBRL-IBGZPJMESA-N 0 0 459.468 4.892 20 0 JJADRN C[C@@H](NCC(=O)Nc1cccc2ccccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001459912728 1067487297 /nfs/dbraw/zinc/48/72/97/1067487297.db2.gz RWAUJJWMAOIUKC-CQSZACIVSA-N 0 0 451.324 4.942 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC001459913130 1067487367 /nfs/dbraw/zinc/48/73/67/1067487367.db2.gz VXUWDKFIYQZBAL-MWTRTKDXSA-N 0 0 452.530 4.583 20 0 JJADRN CCc1ccc([C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3I)C2)cc1 ZINC001459913798 1067487878 /nfs/dbraw/zinc/48/78/78/1067487878.db2.gz QGEVGELSXQJDRM-QGZVFWFLSA-N 0 0 451.352 4.651 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC001459915556 1067488924 /nfs/dbraw/zinc/48/89/24/1067488924.db2.gz AHGKQBWXTKYNMQ-QFIPXVFZSA-N 0 0 455.624 4.526 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001459916758 1067489417 /nfs/dbraw/zinc/48/94/17/1067489417.db2.gz DPPRAJMQJYGTFB-NASSWSRMSA-N 0 0 463.416 4.802 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 ZINC001459917688 1067489942 /nfs/dbraw/zinc/48/99/42/1067489942.db2.gz FQXYSQIVRBSQSN-SESVDKBCSA-N 0 0 450.526 4.641 20 0 JJADRN Cc1cccc(CCCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)n1 ZINC001459917239 1067489982 /nfs/dbraw/zinc/48/99/82/1067489982.db2.gz FBZRTMBVXQEGKG-UHFFFAOYSA-N 0 0 452.352 4.767 20 0 JJADRN Cc1cccc(CCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n1 ZINC001459919863 1067491266 /nfs/dbraw/zinc/49/12/66/1067491266.db2.gz OKYSLANKTKSXNP-LJQANCHMSA-N 0 0 451.489 4.724 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459920312 1067491282 /nfs/dbraw/zinc/49/12/82/1067491282.db2.gz LNGSYXNDYJJHBZ-FGTMMUONSA-N 0 0 456.505 4.722 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1C ZINC001459921257 1067492243 /nfs/dbraw/zinc/49/22/43/1067492243.db2.gz NQHGUSISIORQLU-IBGZPJMESA-N 0 0 451.405 4.929 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC001459922343 1067492757 /nfs/dbraw/zinc/49/27/57/1067492757.db2.gz POQSHUMHLASWEI-AZUAARDMSA-N 0 0 458.530 4.861 20 0 JJADRN COC[C@H](NCC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)c1ccc(C)o1 ZINC001459921969 1067492782 /nfs/dbraw/zinc/49/27/82/1067492782.db2.gz COSVVHKSXYLUMB-DEOSSOPVSA-N 0 0 458.562 4.973 20 0 JJADRN COC[C@@H](NCC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)c1ccc(C)o1 ZINC001459921975 1067492793 /nfs/dbraw/zinc/49/27/93/1067492793.db2.gz COSVVHKSXYLUMB-XMMPIXPASA-N 0 0 458.562 4.973 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC001459925842 1067494406 /nfs/dbraw/zinc/49/44/06/1067494406.db2.gz ZZRYJDAMBAIFKT-UWVAXJGDSA-N 0 0 451.405 4.802 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001459925658 1067494440 /nfs/dbraw/zinc/49/44/40/1067494440.db2.gz PYPKRQCOMUKRKV-OAHLLOKOSA-N 0 0 451.489 4.828 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459932281 1067496925 /nfs/dbraw/zinc/49/69/25/1067496925.db2.gz MQKSDAMFUWNICT-OAHLLOKOSA-N 0 0 452.904 4.964 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932373 1067496931 /nfs/dbraw/zinc/49/69/31/1067496931.db2.gz OGZSYKBZPKJCHK-XZOQPEGZSA-N 0 0 459.512 4.674 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)C(F)(F)c1ccccc1Br)N1CCCCC1 ZINC001459933585 1067497383 /nfs/dbraw/zinc/49/73/83/1067497383.db2.gz IFOAAPIWXRFFOW-HNNXBMFYSA-N 0 0 459.331 4.545 20 0 JJADRN COCCN(C(C)=O)c1nc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cs1 ZINC001459936844 1067499179 /nfs/dbraw/zinc/49/91/79/1067499179.db2.gz RJBRKFGYMVWGCP-HNNXBMFYSA-N 0 0 455.424 4.554 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(OCc4ccccc4)c3)CCC(=O)N2C)cc1 ZINC001459939098 1067499670 /nfs/dbraw/zinc/49/96/70/1067499670.db2.gz CSUYYNXXWWESKX-AHKZPQOWSA-N 0 0 458.558 4.500 20 0 JJADRN CC(C)OC(=O)C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC001459939548 1067500242 /nfs/dbraw/zinc/50/02/42/1067500242.db2.gz XQSBPKBYPPZFMB-XMMPIXPASA-N 0 0 459.546 4.550 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC001459943047 1067501012 /nfs/dbraw/zinc/50/10/12/1067501012.db2.gz QFKYBLSYTXPUJD-UHFFFAOYSA-N 0 0 456.586 4.753 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(-c3cccnc3)s2)cc1 ZINC001459944584 1067501383 /nfs/dbraw/zinc/50/13/83/1067501383.db2.gz SCHSBAMMTBAXOR-GOSISDBHSA-N 0 0 452.605 4.656 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3C[C@@H](C(F)(F)F)OC[C@H]3C)cc12 ZINC001459945075 1067501924 /nfs/dbraw/zinc/50/19/24/1067501924.db2.gz FMEBOTFDUVFCRL-DIFFPNOSSA-N 0 0 457.905 4.900 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ncc(-c3ccccn3)s2)(c2ccccc2)C1 ZINC001459945675 1067502247 /nfs/dbraw/zinc/50/22/47/1067502247.db2.gz VZRJHSPGHZATBW-XMMPIXPASA-N 0 0 450.564 4.722 20 0 JJADRN COCCC[C@@H](CNC(=O)COc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC001459947168 1067502498 /nfs/dbraw/zinc/50/24/98/1067502498.db2.gz RVYNSXBTZMDXDX-HNNXBMFYSA-N 0 0 458.755 4.947 20 0 JJADRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001459948425 1067502964 /nfs/dbraw/zinc/50/29/64/1067502964.db2.gz XWJYYFMCFKOLDZ-ACJLOTCBSA-N 0 0 458.274 4.820 20 0 JJADRN CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC(c2cccc(OC)c2)CC1 ZINC001459952843 1067504840 /nfs/dbraw/zinc/50/48/40/1067504840.db2.gz LVHAWLDVKJAEJA-SFHVURJKSA-N 0 0 453.402 4.706 20 0 JJADRN C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953679 1067505133 /nfs/dbraw/zinc/50/51/33/1067505133.db2.gz XLRGYCYFFHBVPI-HPGBDJQBSA-N 0 0 458.425 4.502 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459952900 1067505243 /nfs/dbraw/zinc/50/52/43/1067505243.db2.gz UWSUUTJICWHYKK-NQIIRXRSSA-N 0 0 456.320 4.550 20 0 JJADRN Cc1nc(CN(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)nc2ccccc12 ZINC001459955271 1067505771 /nfs/dbraw/zinc/50/57/71/1067505771.db2.gz AZNAFKSRYHRMTD-SFHVURJKSA-N 0 0 456.384 4.891 20 0 JJADRN Cc1sc(NC(=O)CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954321 1067505933 /nfs/dbraw/zinc/50/59/33/1067505933.db2.gz YYQYQCKZECIONL-NQIIRXRSSA-N 0 0 451.995 4.745 20 0 JJADRN Cc1nc(CN(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)nc2ccccc12 ZINC001459955266 1067506014 /nfs/dbraw/zinc/50/60/14/1067506014.db2.gz AZNAFKSRYHRMTD-GOSISDBHSA-N 0 0 456.384 4.891 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001459957197 1067506678 /nfs/dbraw/zinc/50/66/78/1067506678.db2.gz CIZRZVVMGKUERC-DJKXOVBDSA-N 0 0 457.368 4.883 20 0 JJADRN COc1cc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001459956692 1067506756 /nfs/dbraw/zinc/50/67/56/1067506756.db2.gz HARRKENGGWFQHO-KRWDZBQOSA-N 0 0 450.379 4.944 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960199 1067508086 /nfs/dbraw/zinc/50/80/86/1067508086.db2.gz MATROWNBIHJRCS-HXUWFJFHSA-N 0 0 452.555 4.634 20 0 JJADRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459961051 1067508458 /nfs/dbraw/zinc/50/84/58/1067508458.db2.gz PBGVSMNEHMPANZ-XMSQKQJNSA-N 0 0 453.560 4.876 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC001459962159 1067508741 /nfs/dbraw/zinc/50/87/41/1067508741.db2.gz QXIGHAZHZBPFGN-WTQUMQLASA-N 0 0 452.576 4.708 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC001459962066 1067508929 /nfs/dbraw/zinc/50/89/29/1067508929.db2.gz DNUOVTIQIXPZBX-DEOSSOPVSA-N 0 0 459.594 4.724 20 0 JJADRN FC(F)C(F)(F)COCCN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963789 1067509200 /nfs/dbraw/zinc/50/92/00/1067509200.db2.gz NCJMCGDZCUDCAL-CYBMUJFWSA-N 0 0 452.246 4.553 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001459965755 1067510085 /nfs/dbraw/zinc/51/00/85/1067510085.db2.gz XGAFYKLFUPVHBA-RTBURBONSA-N 0 0 453.739 4.568 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 ZINC001459970206 1067510648 /nfs/dbraw/zinc/51/06/48/1067510648.db2.gz AFTNUHVLTGUAFH-UHFFFAOYSA-N 0 0 456.768 4.728 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCOCC1 ZINC001459970118 1067510682 /nfs/dbraw/zinc/51/06/82/1067510682.db2.gz WNJFDXSESAMNST-KRWDZBQOSA-N 0 0 451.007 4.789 20 0 JJADRN O=C(NCCn1ccc2cc(Cl)ccc21)c1cnc(Br)c(Br)c1 ZINC001459972660 1067511138 /nfs/dbraw/zinc/51/11/38/1067511138.db2.gz NSUZCAVOQFYRPX-UHFFFAOYSA-N 0 0 457.553 4.645 20 0 JJADRN Cc1cccc(C)c1OCCNC(=O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001459973333 1067511585 /nfs/dbraw/zinc/51/15/85/1067511585.db2.gz YFLRUMHCBLPHDR-HXUWFJFHSA-N 0 0 452.542 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CCCCCC1 ZINC001459975212 1067512311 /nfs/dbraw/zinc/51/23/11/1067512311.db2.gz FZCBIJVDOONLIL-LWSSLDFYSA-N 0 0 456.627 4.881 20 0 JJADRN CN1CCN(C(=O)Cc2ccc(Cl)cc2Br)c2ccc(Br)cc21 ZINC001459977838 1067513291 /nfs/dbraw/zinc/51/32/91/1067513291.db2.gz UWTLINLVIWUNPJ-UHFFFAOYSA-N 0 0 458.581 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)Cc1cccc(Br)c1 ZINC001459978639 1067514048 /nfs/dbraw/zinc/51/40/48/1067514048.db2.gz YGLPCOLDVGTNIY-FQEVSTJZSA-N 0 0 459.384 4.642 20 0 JJADRN CC[C@@](NC(=O)[C@H]1CCc2cc(Br)ccc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981493 1067514781 /nfs/dbraw/zinc/51/47/81/1067514781.db2.gz WZHRURTXUPJERO-RXVVDRJESA-N 0 0 450.760 4.727 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001459981672 1067515188 /nfs/dbraw/zinc/51/51/88/1067515188.db2.gz BFPWCNKMIJTELW-RTBURBONSA-N 0 0 458.274 4.544 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982509 1067515241 /nfs/dbraw/zinc/51/52/41/1067515241.db2.gz FMAQZVLKRNAHSS-XXBNENTESA-N 0 0 455.480 4.711 20 0 JJADRN COCCNC(=O)c1cccc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c1 ZINC001459983954 1067515574 /nfs/dbraw/zinc/51/55/74/1067515574.db2.gz AVQNMDCBWSFQNN-JOCHJYFZSA-N 0 0 456.514 4.813 20 0 JJADRN COc1c(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc(Cl)cc1C(=O)N(C)C ZINC001459985248 1067515646 /nfs/dbraw/zinc/51/56/46/1067515646.db2.gz JYRSAUFGAGBAIC-MHECFPHRSA-N 0 0 480.005 4.559 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(F)cc1C ZINC001459986746 1067516385 /nfs/dbraw/zinc/51/63/85/1067516385.db2.gz DHJWHDDMOLKWQZ-UHFFFAOYSA-N 0 0 456.514 4.856 20 0 JJADRN COCC1(CNC(=O)[C@H](C)Sc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459988553 1067516619 /nfs/dbraw/zinc/51/66/19/1067516619.db2.gz OHGFYZYZGBHKLI-INIZCTEOSA-N 0 0 457.036 4.601 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN(C)CC1(O)CCCCCC1 ZINC001459987811 1067516812 /nfs/dbraw/zinc/51/68/12/1067516812.db2.gz UWRDLFVFIBZMNT-UHFFFAOYSA-N 0 0 458.624 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)Cc3cc(-c4ccccc4)on3)c2F)C1 ZINC001459989529 1067517175 /nfs/dbraw/zinc/51/71/75/1067517175.db2.gz LNXPVKUSALUZSJ-UHFFFAOYSA-N 0 0 451.498 4.955 20 0 JJADRN CC(C)c1nc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)nn1-c1ccccc1F ZINC001459990943 1067517479 /nfs/dbraw/zinc/51/74/79/1067517479.db2.gz HNKJSEQEIIRWDS-UHFFFAOYSA-N 0 0 450.436 4.743 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(Br)cc(F)c1F ZINC001459992983 1067518327 /nfs/dbraw/zinc/51/83/27/1067518327.db2.gz QESBNWAABYOVSS-UHFFFAOYSA-N 0 0 452.217 4.921 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3cncn3-c3ccc(F)cc3)c2F)C1 ZINC001459995239 1067519092 /nfs/dbraw/zinc/51/90/92/1067519092.db2.gz WRMBNPLGLVRIKU-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN Cn1nc(I)cc1C(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001459996037 1067519151 /nfs/dbraw/zinc/51/91/51/1067519151.db2.gz JODYDZRAUHUZLW-HUUCEWRRSA-N 0 0 457.743 4.524 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001459995763 1067519454 /nfs/dbraw/zinc/51/94/54/1067519454.db2.gz LWLBBMUAWWIRRW-MRXNPFEDSA-N 0 0 455.502 4.878 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)CC2=O)cc1F ZINC001459998932 1067520681 /nfs/dbraw/zinc/52/06/81/1067520681.db2.gz SVSHPJYCYBCFHP-HRAATJIYSA-N 0 0 450.432 4.653 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Oc1cc(F)c(F)cc1C ZINC001459999932 1067520944 /nfs/dbraw/zinc/52/09/44/1067520944.db2.gz PUUPZSMCESBRGP-UHFFFAOYSA-N 0 0 451.425 4.687 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460002482 1067522446 /nfs/dbraw/zinc/52/24/46/1067522446.db2.gz CXENKMSZODMIME-CYBMUJFWSA-N 0 0 450.720 4.502 20 0 JJADRN CC(C)OCc1noc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460004612 1067523185 /nfs/dbraw/zinc/52/31/85/1067523185.db2.gz SYZYGHCDAMOWNN-HNNXBMFYSA-N 0 0 453.383 4.606 20 0 JJADRN Cc1sc(C(=O)OCc2cn(-c3ccccc3Br)nn2)cc1Br ZINC001460004556 1067523236 /nfs/dbraw/zinc/52/32/36/1067523236.db2.gz HUZORYSLQYUBAV-UHFFFAOYSA-N 0 0 457.147 4.519 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460007687 1067524729 /nfs/dbraw/zinc/52/47/29/1067524729.db2.gz JLEWFHSBUHYWDN-AREMUKBSSA-N 0 0 453.583 4.963 20 0 JJADRN Cc1c(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)nnn1CCOc1ccc(F)cc1 ZINC001460007755 1067524769 /nfs/dbraw/zinc/52/47/69/1067524769.db2.gz IKPOXMRSJSIQDL-CQSZACIVSA-N 0 0 450.436 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC3(CCOCC3)O2)[C@@H](c2ccccc2Cl)C1 ZINC001460010367 1067526001 /nfs/dbraw/zinc/52/60/01/1067526001.db2.gz GIPCYUQDWMCUDM-GHTZIAJQSA-N 0 0 451.007 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC3(CCOCC3)O2)[C@H](c2ccccc2Cl)C1 ZINC001460010368 1067526075 /nfs/dbraw/zinc/52/60/75/1067526075.db2.gz GIPCYUQDWMCUDM-NQIIRXRSSA-N 0 0 451.007 4.662 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC001460011226 1067526356 /nfs/dbraw/zinc/52/63/56/1067526356.db2.gz NMKMXLGKTBKQHI-DVECYGJZSA-N 0 0 455.643 4.632 20 0 JJADRN O=C(NC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001460011687 1067526519 /nfs/dbraw/zinc/52/65/19/1067526519.db2.gz PVVTYLNGNLRHHC-MRXNPFEDSA-N 0 0 450.888 4.903 20 0 JJADRN O=C(Cc1ccccc1I)Oc1ccc(-c2ncc3n2CCCC3)cc1 ZINC001460012976 1067526820 /nfs/dbraw/zinc/52/68/20/1067526820.db2.gz DAPGVBFESGZMHY-UHFFFAOYSA-N 0 0 458.299 4.639 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1 ZINC001460013571 1067527220 /nfs/dbraw/zinc/52/72/20/1067527220.db2.gz JBOUXKHVBPOSRM-IBGZPJMESA-N 0 0 456.892 4.790 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014297 1067527668 /nfs/dbraw/zinc/52/76/68/1067527668.db2.gz LXNSOBVFZRTHRX-SFHVURJKSA-N 0 0 454.855 4.778 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1cc(F)cc2nccnc21)c1ccc(Cl)cc1 ZINC001460014292 1067527694 /nfs/dbraw/zinc/52/76/94/1067527694.db2.gz LXNSOBVFZRTHRX-GOSISDBHSA-N 0 0 454.855 4.778 20 0 JJADRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001460015243 1067528421 /nfs/dbraw/zinc/52/84/21/1067528421.db2.gz IQVDFTVMBDHCRF-OAQYLSRUSA-N 0 0 455.542 4.972 20 0 JJADRN CCc1nc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)nn1-c1ccccc1Cl ZINC001460016130 1067528691 /nfs/dbraw/zinc/52/86/91/1067528691.db2.gz QRVPWUPHIPMXJM-UHFFFAOYSA-N 0 0 458.393 4.797 20 0 JJADRN O=c1ccccn1C[C@@H](NCc1ncc(-c2ccccc2Br)o1)c1ccccc1 ZINC001460016762 1067529352 /nfs/dbraw/zinc/52/93/52/1067529352.db2.gz MAPXYFKVLAWXAP-HXUWFJFHSA-N 0 0 450.336 4.797 20 0 JJADRN CCOC(=O)[C@@H](c1cccc(Cl)c1)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460018123 1067529546 /nfs/dbraw/zinc/52/95/46/1067529546.db2.gz PIIUHSWIRSLOLK-BHDDXSALSA-N 0 0 458.986 4.937 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC001460017699 1067529593 /nfs/dbraw/zinc/52/95/93/1067529593.db2.gz SPWIZFTWYMWERV-HXUWFJFHSA-N 0 0 450.892 4.881 20 0 JJADRN CC(C)c1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)nn1-c1ccccc1 ZINC001460019142 1067530191 /nfs/dbraw/zinc/53/01/91/1067530191.db2.gz MAKMEBNGOGLTIU-UHFFFAOYSA-N 0 0 456.518 4.952 20 0 JJADRN Cc1cccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)c1Br ZINC001460024716 1067532733 /nfs/dbraw/zinc/53/27/33/1067532733.db2.gz RVOUJUTYEOVPGA-UHFFFAOYSA-N 0 0 456.197 4.977 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)NCc3cc(C)cc(NC(=O)OC(C)(C)C)c3)CC2=O)cc1 ZINC001460026471 1067532747 /nfs/dbraw/zinc/53/27/47/1067532747.db2.gz IXOSFAUKTQFSNC-HXUWFJFHSA-N 0 0 451.567 4.574 20 0 JJADRN Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 ZINC001460027084 1067533146 /nfs/dbraw/zinc/53/31/46/1067533146.db2.gz GMYXUKLNHZCARK-GOSISDBHSA-N 0 0 457.351 4.745 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N1CCc2ccc(Br)cc2C1 ZINC001460030328 1067534044 /nfs/dbraw/zinc/53/40/44/1067534044.db2.gz HTUGBMTULQMKAC-UHFFFAOYSA-N 0 0 453.174 4.956 20 0 JJADRN Cn1cc([C@H](NCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)C(F)(F)F)cn1 ZINC001460031310 1067534448 /nfs/dbraw/zinc/53/44/48/1067534448.db2.gz SFZVAIWVEYSFBS-SFHVURJKSA-N 0 0 451.518 4.673 20 0 JJADRN CN(CCOc1ccccc1C(C)(C)C)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460032446 1067534766 /nfs/dbraw/zinc/53/47/66/1067534766.db2.gz UHOSRPWBNIUBRO-UHFFFAOYSA-N 0 0 452.517 4.552 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001460033482 1067534816 /nfs/dbraw/zinc/53/48/16/1067534816.db2.gz JBNUOVVFFOIMKU-CQSZACIVSA-N 0 0 459.999 4.938 20 0 JJADRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2nc(-c3cccc(Cl)c3Cl)cs2)cn1 ZINC001460042020 1067537149 /nfs/dbraw/zinc/53/71/49/1067537149.db2.gz YCYQBYXRBBCBDW-YMGMXPECSA-N 0 0 455.436 4.639 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c(Cl)nccc23)c1 ZINC001460043769 1067537507 /nfs/dbraw/zinc/53/75/07/1067537507.db2.gz LDAJDSIJPVTBEQ-UHFFFAOYSA-N 0 0 452.363 4.823 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2noc(-c3c(F)cccc3Cl)n2)C1)OCc1ccccc1 ZINC001460044019 1067537515 /nfs/dbraw/zinc/53/75/15/1067537515.db2.gz GEBYOOJHGSAJKZ-KRWDZBQOSA-N 0 0 458.921 4.668 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)C3CCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001460044857 1067537545 /nfs/dbraw/zinc/53/75/45/1067537545.db2.gz ZMJIKLZNBBONEF-DETVKUJNSA-N 0 0 450.579 4.883 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)C3CCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001460044873 1067537909 /nfs/dbraw/zinc/53/79/09/1067537909.db2.gz ZMJIKLZNBBONEF-VLGQDORFSA-N 0 0 450.579 4.883 20 0 JJADRN O=C(CNC1(c2c(Cl)cccc2Cl)CCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC001460048696 1067538786 /nfs/dbraw/zinc/53/87/86/1067538786.db2.gz IBNCCAICFWVLTF-UHFFFAOYSA-N 0 0 450.757 4.835 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC001460056313 1067540609 /nfs/dbraw/zinc/54/06/09/1067540609.db2.gz SSPOVIYIRIITTK-HTAPYJJXSA-N 0 0 453.535 4.892 20 0 JJADRN CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC001460057270 1067541044 /nfs/dbraw/zinc/54/10/44/1067541044.db2.gz YHDOQMUXXMOGTB-FPOVZHCZSA-N 0 0 459.608 4.959 20 0 JJADRN C[C@@H](OC(=O)COc1cccc2cccnc21)c1ccc(F)c(I)c1 ZINC001460059520 1067541842 /nfs/dbraw/zinc/54/18/42/1067541842.db2.gz ANWVINXOJNGIRM-GFCCVEGCSA-N 0 0 451.235 4.662 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1 ZINC001460059627 1067541848 /nfs/dbraw/zinc/54/18/48/1067541848.db2.gz FUIVKPRBEXNWHP-WYMLVPIESA-N 0 0 452.463 4.719 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1cnc(Br)c(Cl)c1 ZINC001460060746 1067542241 /nfs/dbraw/zinc/54/22/41/1067542241.db2.gz KQOPVOAFPBLGNZ-UHFFFAOYSA-N 0 0 450.676 4.582 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC001460061352 1067542420 /nfs/dbraw/zinc/54/24/20/1067542420.db2.gz OEZBZDUHMJWYNE-UHFFFAOYSA-N 0 0 450.882 4.918 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCCC[C@@H]3COC(=O)NC(C)C)n2)cc1C ZINC001460063118 1067542931 /nfs/dbraw/zinc/54/29/31/1067542931.db2.gz RLCHNIYGUSGSOL-LJQANCHMSA-N 0 0 458.628 4.663 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Oc3ccccc3)nc2)CCS1 ZINC001546113630 1067543603 /nfs/dbraw/zinc/54/36/03/1067543603.db2.gz FMCMJJIKRBOCJD-UHFFFAOYSA-N 0 0 494.665 4.764 20 0 JJADRN CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001460065449 1067544091 /nfs/dbraw/zinc/54/40/91/1067544091.db2.gz GIPCLUWXTRZYKO-ADFCJHRQSA-N 0 0 458.451 4.864 20 0 JJADRN O=C(N1C[C@H]2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCCC3)C[C@H]2C1)C(F)(F)F ZINC001460067069 1067544779 /nfs/dbraw/zinc/54/47/79/1067544779.db2.gz BCCUKPUMSIDQPF-MSOLQXFVSA-N 0 0 456.936 4.702 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)CCCCC2)cc1 ZINC001460070359 1067545560 /nfs/dbraw/zinc/54/55/60/1067545560.db2.gz ISNNCCPSKGKVGL-WOJBJXKFSA-N 0 0 450.545 4.881 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCC[C@@H]2C)CCS1 ZINC001546113647 1067545709 /nfs/dbraw/zinc/54/57/09/1067545709.db2.gz GAHLJKMZLNSTLU-FNZWTVRRSA-N 0 0 485.698 4.810 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1C ZINC001460073352 1067546737 /nfs/dbraw/zinc/54/67/37/1067546737.db2.gz AWFJMEZDZPNIHN-AWEZNQCLSA-N 0 0 455.908 4.900 20 0 JJADRN O=C(CN1CCCC[C@@H]1COC(=O)N1CCCCC1)Nc1ccccc1Oc1ccccc1 ZINC001460073444 1067546910 /nfs/dbraw/zinc/54/69/10/1067546910.db2.gz YWJUURRJBWBXLO-OAQYLSRUSA-N 0 0 451.567 4.894 20 0 JJADRN O=C(CN1CC[C@H](C(F)(F)F)[C@H](CO)C1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460083182 1067549488 /nfs/dbraw/zinc/54/94/88/1067549488.db2.gz IXAPOJMPVRJHBJ-YUMQZZPRSA-N 0 0 454.103 4.731 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001460088055 1067550854 /nfs/dbraw/zinc/55/08/54/1067550854.db2.gz DQDXPKJSOPNTAE-OPAMFIHVSA-N 0 0 459.377 4.770 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H](C)c1ccccc1Cl ZINC001460089010 1067551196 /nfs/dbraw/zinc/55/11/96/1067551196.db2.gz QNUHAZFFXZEAGB-OAHLLOKOSA-N 0 0 458.958 4.994 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN3CCc4ccc(Br)cc4C3)s2)cc1 ZINC001460093064 1067552519 /nfs/dbraw/zinc/55/25/19/1067552519.db2.gz IBCYNUUXALNWMA-UHFFFAOYSA-N 0 0 457.397 4.674 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001460096384 1067553802 /nfs/dbraw/zinc/55/38/02/1067553802.db2.gz ZHBCEBBXHOAZGG-UHFFFAOYSA-N 0 0 455.194 4.843 20 0 JJADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001460097156 1067553863 /nfs/dbraw/zinc/55/38/63/1067553863.db2.gz GALFCBZLZXVPLG-BJKOFHAPSA-N 0 0 451.014 4.960 20 0 JJADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001460097179 1067554371 /nfs/dbraw/zinc/55/43/71/1067554371.db2.gz GALFCBZLZXVPLG-ZEQRLZLVSA-N 0 0 451.014 4.960 20 0 JJADRN CO[C@H]([C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CC1 ZINC001460097431 1067554401 /nfs/dbraw/zinc/55/44/01/1067554401.db2.gz MYTZEDOKVQRVIE-IVZQSRNASA-N 0 0 454.368 4.845 20 0 JJADRN CC(C)(C)c1csc(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)n1 ZINC001460098299 1067554580 /nfs/dbraw/zinc/55/45/80/1067554580.db2.gz CFPJAFJQICADJN-UHFFFAOYSA-N 0 0 456.033 4.714 20 0 JJADRN CO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001460098860 1067554973 /nfs/dbraw/zinc/55/49/73/1067554973.db2.gz FGNQECXTDWEVTJ-XJRBWHPUSA-N 0 0 450.982 4.583 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(CN[C@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001460102276 1067555447 /nfs/dbraw/zinc/55/54/47/1067555447.db2.gz LDGRYBBDBXMHHC-JOCHJYFZSA-N 0 0 451.617 4.620 20 0 JJADRN Cc1cccc(N(CC(C)(C)C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 ZINC001460102087 1067555490 /nfs/dbraw/zinc/55/54/90/1067555490.db2.gz XXTHVIGMOXGGBL-UHFFFAOYSA-N 0 0 451.592 4.908 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)cc1 ZINC001460102456 1067555609 /nfs/dbraw/zinc/55/56/09/1067555609.db2.gz WOSOZGQWXUPSBZ-UHFFFAOYSA-N 0 0 457.596 4.706 20 0 JJADRN Cc1nc(-c2cccc(C(=O)Nc3cc(N4CCOCC4)ccc3Br)c2)cs1 ZINC001460106124 1067556138 /nfs/dbraw/zinc/55/61/38/1067556138.db2.gz REDSRTRCJKOBTQ-UHFFFAOYSA-N 0 0 458.381 4.970 20 0 JJADRN COc1cc(C2(C(=O)Nc3cc(N4CCOCC4)ccc3Br)CCC2)ccc1C ZINC001460105216 1067556307 /nfs/dbraw/zinc/55/63/07/1067556307.db2.gz MILJKUMJQYTLHC-UHFFFAOYSA-N 0 0 459.384 4.663 20 0 JJADRN NC(=O)CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1CCOc2ccccc21 ZINC001460108671 1067556537 /nfs/dbraw/zinc/55/65/37/1067556537.db2.gz CRRGRQWCWJFYDW-INIZCTEOSA-N 0 0 457.502 4.589 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001460112351 1067557387 /nfs/dbraw/zinc/55/73/87/1067557387.db2.gz NKWJNDKFICYFQL-JTQLQIEISA-N 0 0 450.686 4.864 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)nc1C(C)C ZINC001460112607 1067557697 /nfs/dbraw/zinc/55/76/97/1067557697.db2.gz SIYAZEVWHLXIFD-UHFFFAOYSA-N 0 0 454.483 4.956 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2C1=O ZINC001460115231 1067558321 /nfs/dbraw/zinc/55/83/21/1067558321.db2.gz LVGYXIUFNYQJON-UHFFFAOYSA-N 0 0 452.308 4.646 20 0 JJADRN O=C(Nc1cccc2c(Br)ccnc12)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001460117288 1067558747 /nfs/dbraw/zinc/55/87/47/1067558747.db2.gz UJIYRPMUSWYTMQ-UHFFFAOYSA-N 0 0 458.209 4.924 20 0 JJADRN C[C@@]1(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1(Cl)Cl ZINC001460117527 1067558983 /nfs/dbraw/zinc/55/89/83/1067558983.db2.gz CEKVQAWCQSYRBR-SCLBCKFNSA-N 0 0 452.209 4.936 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)OCCOC)n2CC2(C)Cc3ccccc3C2)CCS1 ZINC001546114014 1067559272 /nfs/dbraw/zinc/55/92/72/1067559272.db2.gz SCDLVWLOLILJHO-HXUWFJFHSA-N 0 0 472.699 4.919 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC(C)C)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001460123044 1067559628 /nfs/dbraw/zinc/55/96/28/1067559628.db2.gz OHYROPNAQZYKMG-OAQYLSRUSA-N 0 0 450.457 4.905 20 0 JJADRN CC(C)(C)n1cc(C(=O)NCc2c(F)cccc2-n2cccn2)c(-c2ccc(F)cc2F)n1 ZINC001460128520 1067560905 /nfs/dbraw/zinc/56/09/05/1067560905.db2.gz FBWLYOBDBJPAHO-UHFFFAOYSA-N 0 0 453.468 4.838 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)c2ccc(OC)cc2)CCS1 ZINC001546114076 1067561172 /nfs/dbraw/zinc/56/11/72/1067561172.db2.gz UWWVNOLGMHVERO-LJQANCHMSA-N 0 0 473.687 4.731 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)C[C@H](C)O1 ZINC001460131498 1067561211 /nfs/dbraw/zinc/56/12/11/1067561211.db2.gz PPJACXQXDWDECE-ROUUACIJSA-N 0 0 451.567 4.803 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)s1 ZINC001460141122 1067563479 /nfs/dbraw/zinc/56/34/79/1067563479.db2.gz HKJWDWIEZALKDN-WMLDXEAASA-N 0 0 456.534 4.690 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1 ZINC001460142205 1067563593 /nfs/dbraw/zinc/56/35/93/1067563593.db2.gz AXHXXYYSTACBTM-SANMLTNESA-N 0 0 451.567 4.610 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)Nc3ncccc3CNC(=O)OC(C)(C)C)c(C)c2c1 ZINC001460143854 1067563879 /nfs/dbraw/zinc/56/38/79/1067563879.db2.gz DYULPWGNUSKYFI-UHFFFAOYSA-N 0 0 451.523 4.935 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccccn2)CCS1 ZINC001546114182 1067564137 /nfs/dbraw/zinc/56/41/37/1067564137.db2.gz YANQENSJLPUZNS-UHFFFAOYSA-N 0 0 499.084 4.611 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2n[nH]c(C)n2)CCS1 ZINC001546114198 1067564573 /nfs/dbraw/zinc/56/45/73/1067564573.db2.gz YTQOSEWHBANFLX-LJQANCHMSA-N 0 0 483.686 4.816 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CCC=C(c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460147325 1067564986 /nfs/dbraw/zinc/56/49/86/1067564986.db2.gz RQWNFPCYYQRLRZ-DLBZAZTESA-N 0 0 453.608 4.561 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)n2)cc1C ZINC001460147169 1067565019 /nfs/dbraw/zinc/56/50/19/1067565019.db2.gz AQDBKLWZWCJMNI-KDURUIRLSA-N 0 0 456.656 4.641 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001460148492 1067565312 /nfs/dbraw/zinc/56/53/12/1067565312.db2.gz FLVVXIRFZHYMPD-LPHOPBHVSA-N 0 0 453.421 4.924 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc(OC)c1C(C)C ZINC001460148712 1067565407 /nfs/dbraw/zinc/56/54/07/1067565407.db2.gz CUXMYQDHUNLJHH-QGZVFWFLSA-N 0 0 455.505 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)CCc1cc(F)ccc1Br ZINC001460151931 1067565617 /nfs/dbraw/zinc/56/56/17/1067565617.db2.gz NMQWVLBUSNOOPP-KRWDZBQOSA-N 0 0 457.384 4.817 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001460154366 1067566022 /nfs/dbraw/zinc/56/60/22/1067566022.db2.gz UZILQIDWOXJPPQ-GOSISDBHSA-N 0 0 455.603 4.799 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(Br)c1 ZINC001460157418 1067566830 /nfs/dbraw/zinc/56/68/30/1067566830.db2.gz GUBLFXBGSMJQLY-OALUTQOASA-N 0 0 453.739 4.686 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@H](C)N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)n2)cc1 ZINC001460159632 1067567146 /nfs/dbraw/zinc/56/71/46/1067567146.db2.gz UGWAKRPABCWUCR-RNODOKPDSA-N 0 0 457.518 4.578 20 0 JJADRN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001460158693 1067567279 /nfs/dbraw/zinc/56/72/79/1067567279.db2.gz KYOCHAGMYUBUEH-OAQYLSRUSA-N 0 0 450.963 4.535 20 0 JJADRN CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br)C(C)(C)C ZINC001460162572 1067567912 /nfs/dbraw/zinc/56/79/12/1067567912.db2.gz AHFFUUJDGCIKGN-SFHVURJKSA-N 0 0 459.450 4.568 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1cccc(C)c1Br ZINC001460167203 1067568364 /nfs/dbraw/zinc/56/83/64/1067568364.db2.gz FPYHQIJCBZRYKE-KRWDZBQOSA-N 0 0 453.174 4.620 20 0 JJADRN COc1cc(OC)c(C[C@H](C)NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c(OC)c1 ZINC001460168096 1067568694 /nfs/dbraw/zinc/56/86/94/1067568694.db2.gz UBJLJLOVRFFGCE-INIZCTEOSA-N 0 0 454.592 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@]1(C)CC1(Cl)Cl)c1cccc(C(F)(F)F)c1 ZINC001460168043 1067568703 /nfs/dbraw/zinc/56/87/03/1067568703.db2.gz SPYPBTSCRZEPKL-CXAGYDPISA-N 0 0 455.304 4.971 20 0 JJADRN Cc1ccc(C2=NN(C(=O)CN[C@@H](CCO)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 ZINC001460172545 1067570144 /nfs/dbraw/zinc/57/01/44/1067570144.db2.gz ONVFYKJRAQCJGU-GMAHTHKFSA-N 0 0 451.954 4.632 20 0 JJADRN Cc1ccc(CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)C2CC2)o1 ZINC001460174821 1067570672 /nfs/dbraw/zinc/57/06/72/1067570672.db2.gz XTBRWQXTFGSPEV-XMMPIXPASA-N 0 0 458.046 4.965 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1CCOc1cc(Cl)cc(Cl)c1 ZINC001460174859 1067570927 /nfs/dbraw/zinc/57/09/27/1067570927.db2.gz YLXMOIRSBUERPC-GOSISDBHSA-N 0 0 459.167 4.735 20 0 JJADRN C[C@H](N[C@@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175595 1067571021 /nfs/dbraw/zinc/57/10/21/1067571021.db2.gz VLMWJKJOAMYOOG-FVMDXXJSSA-N 0 0 450.135 4.545 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)OC(C)(C)C ZINC001460177827 1067571842 /nfs/dbraw/zinc/57/18/42/1067571842.db2.gz BCETXHKOFPZBSL-QGZVFWFLSA-N 0 0 452.389 4.878 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC001460179120 1067571881 /nfs/dbraw/zinc/57/18/81/1067571881.db2.gz HYLSWFZEZKEVLS-GOSISDBHSA-N 0 0 450.645 4.570 20 0 JJADRN O=C(CN1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)Nc1ccc2ccccc2c1 ZINC001460179390 1067572269 /nfs/dbraw/zinc/57/22/69/1067572269.db2.gz NENGCMQIWWSWJR-GBXCKJPGSA-N 0 0 453.380 4.986 20 0 JJADRN O=C(Nc1nc2cc(Br)ccn2n1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001460181653 1067572997 /nfs/dbraw/zinc/57/29/97/1067572997.db2.gz JUYSFWAQNNNGGN-UHFFFAOYSA-N 0 0 453.262 4.961 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(c2ccc(Br)cc2)C2CC2)CC1 ZINC001460182438 1067573050 /nfs/dbraw/zinc/57/30/50/1067573050.db2.gz NRFWLVQPENNRHA-AWNIVKPZSA-N 0 0 453.380 4.897 20 0 JJADRN COC[C@@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(Cl)cc1 ZINC001460185015 1067574304 /nfs/dbraw/zinc/57/43/04/1067574304.db2.gz DMIMMQUILBYFDC-CQSZACIVSA-N 0 0 455.839 4.844 20 0 JJADRN O=C(NCc1ccnc(C(F)(F)F)c1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460189942 1067574817 /nfs/dbraw/zinc/57/48/17/1067574817.db2.gz UYJWQEVVZZPLJK-UHFFFAOYSA-N 0 0 455.230 4.965 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1Br ZINC001460190293 1067575238 /nfs/dbraw/zinc/57/52/38/1067575238.db2.gz PELXLLLEPAJGFA-UHFFFAOYSA-N 0 0 459.793 4.692 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193467 1067575996 /nfs/dbraw/zinc/57/59/96/1067575996.db2.gz IWYQKFVAXFMKNL-KGLIPLIRSA-N 0 0 454.771 4.779 20 0 JJADRN COC[C@@H]([NH2+]Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1cccc(Cl)c1 ZINC001460195988 1067576497 /nfs/dbraw/zinc/57/64/97/1067576497.db2.gz JUIFSRLXLVZVMQ-LJQANCHMSA-N 0 0 455.967 4.791 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(Cc2ccccc2Cl)OC)cc1 ZINC001460198354 1067577291 /nfs/dbraw/zinc/57/72/91/1067577291.db2.gz TWAKQHSUPSJLOB-UHFFFAOYSA-N 0 0 453.926 4.603 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(Cc2csc(Br)c2)CC1 ZINC001460200593 1067577867 /nfs/dbraw/zinc/57/78/67/1067577867.db2.gz ZGTVRVZQQLZAMW-AEFFLSMTSA-N 0 0 459.450 4.795 20 0 JJADRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201536 1067578322 /nfs/dbraw/zinc/57/83/22/1067578322.db2.gz ZHHVGPXBTHLIAE-UGKGYDQZSA-N 0 0 455.599 4.866 20 0 JJADRN CC(C)c1sc(NC(=O)CN2CCCC[C@@H]2COC(=O)NC2CC2)nc1-c1ccccc1 ZINC001460204528 1067578640 /nfs/dbraw/zinc/57/86/40/1067578640.db2.gz OWSDZLHXMINZCA-LJQANCHMSA-N 0 0 456.612 4.615 20 0 JJADRN CC(C)[C@H](C(=O)N1CC[C@H](c2cccc(Br)c2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001460207837 1067579377 /nfs/dbraw/zinc/57/93/77/1067579377.db2.gz BCLZANQNNQLPHZ-IEZWGBDMSA-N 0 0 453.421 4.950 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cc1)C1CCCC1 ZINC001460207929 1067579378 /nfs/dbraw/zinc/57/93/78/1067579378.db2.gz BUDDVHJBGXNSAK-NRFANRHFSA-N 0 0 455.396 4.885 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ncc(C(F)(F)F)cn2)c1 ZINC001460211681 1067580301 /nfs/dbraw/zinc/58/03/01/1067580301.db2.gz OMXLFPQUSLTMIC-UHFFFAOYSA-N 0 0 455.415 4.726 20 0 JJADRN O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001460213782 1067581078 /nfs/dbraw/zinc/58/10/78/1067581078.db2.gz MTGBMKLGYGIYKM-CTNGQTDRSA-N 0 0 457.368 4.566 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3)n2CC(F)(F)C2(OC)CCOCC2)CCS1 ZINC001546114730 1067582164 /nfs/dbraw/zinc/58/21/64/1067582164.db2.gz DPKGTKRIXYMDGV-UHFFFAOYSA-N 0 0 480.625 4.888 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN[C@H](C)c1cc(C)ccc1OC ZINC001460218828 1067582430 /nfs/dbraw/zinc/58/24/30/1067582430.db2.gz QJCVKHNOURRPMA-MRXNPFEDSA-N 0 0 455.580 4.696 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(OC)C2CC2)CCS1 ZINC001546114783 1067582475 /nfs/dbraw/zinc/58/24/75/1067582475.db2.gz GLQDWEHJTPXSTF-HXUWFJFHSA-N 0 0 482.492 4.963 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001460219848 1067582855 /nfs/dbraw/zinc/58/28/55/1067582855.db2.gz YGOCNUFXIVKTMX-BPUDTRNYSA-N 0 0 458.961 4.550 20 0 JJADRN COC[C@@]1(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001460222306 1067583379 /nfs/dbraw/zinc/58/33/79/1067583379.db2.gz LUPAVPXENVTKPM-HHHXNRCGSA-N 0 0 458.643 4.964 20 0 JJADRN O=C(CN(CCCCc1ccccc1)c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC001460226182 1067583732 /nfs/dbraw/zinc/58/37/32/1067583732.db2.gz YGIHCHMKZCJOLD-UHFFFAOYSA-N 0 0 459.546 4.635 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2c(Br)cncc2Br)c1 ZINC001460227830 1067584257 /nfs/dbraw/zinc/58/42/57/1067584257.db2.gz PTCGCUWLWYRVQT-LBPRGKRZSA-N 0 0 456.178 4.814 20 0 JJADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)cc2)C1 ZINC001460228057 1067584266 /nfs/dbraw/zinc/58/42/66/1067584266.db2.gz APAFOMZGMXNSNS-HXUWFJFHSA-N 0 0 454.014 4.674 20 0 JJADRN CCOc1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1 ZINC001460229805 1067585046 /nfs/dbraw/zinc/58/50/46/1067585046.db2.gz FZQSXFLPAPRUTB-NFBKMPQASA-N 0 0 456.558 4.995 20 0 JJADRN COc1ccccc1CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460229749 1067585073 /nfs/dbraw/zinc/58/50/73/1067585073.db2.gz FRLQDRHNIKERNI-IFMALSPDSA-N 0 0 456.558 4.534 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CCS1 ZINC001546114859 1067585363 /nfs/dbraw/zinc/58/53/63/1067585363.db2.gz IRGLDXSRAZBPAO-PGRDOPGGSA-N 0 0 474.671 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001460231428 1067585368 /nfs/dbraw/zinc/58/53/68/1067585368.db2.gz KFRHPJIFHHNNBC-YMPZKCBVSA-N 0 0 468.569 4.676 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCO2)CCS1 ZINC001546114887 1067585623 /nfs/dbraw/zinc/58/56/23/1067585623.db2.gz JVSQQGKBEWPEQJ-GOSISDBHSA-N 0 0 465.461 4.999 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccn2C(F)F)CCS1 ZINC001546114916 1067585630 /nfs/dbraw/zinc/58/56/30/1067585630.db2.gz KQYVPIIARIYMLA-UHFFFAOYSA-N 0 0 492.596 4.714 20 0 JJADRN COC(=O)[C@H](N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccc(Cl)c1Cl ZINC001460232307 1067585671 /nfs/dbraw/zinc/58/56/71/1067585671.db2.gz AZOAZPAZRZAWKI-KVSKMBFKSA-N 0 0 461.311 4.827 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCOC2)CCS1 ZINC001546114918 1067585878 /nfs/dbraw/zinc/58/58/78/1067585878.db2.gz KSBPONIPVFTVHI-GOSISDBHSA-N 0 0 460.644 4.501 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](F)COC)CCS1 ZINC001546114949 1067585967 /nfs/dbraw/zinc/58/59/67/1067585967.db2.gz LZGDVYNLBXPAOE-MRXNPFEDSA-N 0 0 457.015 4.704 20 0 JJADRN C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460234989 1067586691 /nfs/dbraw/zinc/58/66/91/1067586691.db2.gz XYIUDRFLQHFFIC-JXHRLWIKSA-N 0 0 456.558 4.750 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237351 1067587249 /nfs/dbraw/zinc/58/72/49/1067587249.db2.gz LPGKDERWDZGESI-RXVVDRJESA-N 0 0 456.656 4.670 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2ccnc2C)CCS1 ZINC001546115011 1067587285 /nfs/dbraw/zinc/58/72/85/1067587285.db2.gz OONOGRRNFNITKO-UHFFFAOYSA-N 0 0 460.051 4.701 20 0 JJADRN CCc1cc(Oc2ccc(F)cc2CN2CCN(C(COC)COC)CC2)ccc1Cl ZINC001460238514 1067587942 /nfs/dbraw/zinc/58/79/42/1067587942.db2.gz QHMQHYPKOKKNJC-UHFFFAOYSA-N 0 0 450.982 4.613 20 0 JJADRN CCn1c(SCC(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)nnc1-c1cccs1 ZINC001460239385 1067588710 /nfs/dbraw/zinc/58/87/10/1067588710.db2.gz HPPZXRVWYWBEBU-SFHVURJKSA-N 0 0 456.637 4.609 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@@H](c2ccccc2)C1 ZINC001460241101 1067589261 /nfs/dbraw/zinc/58/92/61/1067589261.db2.gz PVIKJPBZFSVHJD-XMMPIXPASA-N 0 0 454.636 4.590 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001460243113 1067589515 /nfs/dbraw/zinc/58/95/15/1067589515.db2.gz VGDGARUUOITCBF-DRMXPCRNSA-N 0 0 450.645 4.593 20 0 JJADRN CN(Cc1noc(-c2cccc(Cl)c2Cl)n1)C[C@@H](O)c1ccccc1Br ZINC001460243369 1067589584 /nfs/dbraw/zinc/58/95/84/1067589584.db2.gz DGLMFDGYDMDSIE-OAHLLOKOSA-N 0 0 457.155 4.971 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(OC)nc2)CCS1 ZINC001546115032 1067589925 /nfs/dbraw/zinc/58/99/25/1067589925.db2.gz PHCPLLFAVWJYLH-UHFFFAOYSA-N 0 0 483.638 4.526 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3C)n2CC2(COC)CCOCC2)CCS1 ZINC001546115031 1067590040 /nfs/dbraw/zinc/59/00/40/1067590040.db2.gz PFUUMISOVSMFRI-UHFFFAOYSA-N 0 0 458.672 4.809 20 0 JJADRN O=C(c1ccc2c(c1)CCCC2=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001460246133 1067590293 /nfs/dbraw/zinc/59/02/93/1067590293.db2.gz DNKMHXYBEQOQFU-MRXNPFEDSA-N 0 0 459.327 4.515 20 0 JJADRN O=C(c1ccc2c(c1)CCCC2=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001460246129 1067590328 /nfs/dbraw/zinc/59/03/28/1067590328.db2.gz DNKMHXYBEQOQFU-INIZCTEOSA-N 0 0 459.327 4.515 20 0 JJADRN CN(C)C(=O)O[C@@H]1CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001460246210 1067590399 /nfs/dbraw/zinc/59/03/99/1067590399.db2.gz FEPGMOGGUCQOPI-OAQYLSRUSA-N 0 0 453.970 4.575 20 0 JJADRN CSc1ccccc1OC[C@@H](O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C ZINC001460247961 1067590652 /nfs/dbraw/zinc/59/06/52/1067590652.db2.gz WSUCBJCGDFCLHH-NRFANRHFSA-N 0 0 451.636 4.733 20 0 JJADRN COc1cc2c(cc1NC(=O)CN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251719 1067591508 /nfs/dbraw/zinc/59/15/08/1067591508.db2.gz AOYDXFPQDYMQPT-IRXDYDNUSA-N 0 0 452.551 4.833 20 0 JJADRN Cc1ncc(Br)cc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC001460251314 1067591617 /nfs/dbraw/zinc/59/16/17/1067591617.db2.gz AVCMQMUFXVEYMG-UHFFFAOYSA-N 0 0 458.287 4.561 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC=CO2)CCS1 ZINC001546115068 1067591962 /nfs/dbraw/zinc/59/19/62/1067591962.db2.gz QJJQMRCIWNPOKJ-LJQANCHMSA-N 0 0 458.628 4.767 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC001460254760 1067592186 /nfs/dbraw/zinc/59/21/86/1067592186.db2.gz ATRSLUMGMNGTHB-XMMPIXPASA-N 0 0 451.611 4.804 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001460259674 1067592862 /nfs/dbraw/zinc/59/28/62/1067592862.db2.gz YSBPRMCWDWUYCB-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CCS1 ZINC001546115117 1067592973 /nfs/dbraw/zinc/59/29/73/1067592973.db2.gz SOKAZCPCNPOMSW-XXBNENTESA-N 0 0 468.733 4.574 20 0 JJADRN COc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C)c(I)cn1 ZINC001460262326 1067593262 /nfs/dbraw/zinc/59/32/62/1067593262.db2.gz LDFIJBNHEKNBTO-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCSC2)CCS1 ZINC001546115137 1067593292 /nfs/dbraw/zinc/59/32/92/1067593292.db2.gz TZIJXNRKYCQSIR-HXUWFJFHSA-N 0 0 471.067 4.718 20 0 JJADRN Cc1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)ncc1I ZINC001460262414 1067593294 /nfs/dbraw/zinc/59/32/94/1067593294.db2.gz LJYUGKXDILAXOB-UHFFFAOYSA-N 0 0 459.125 4.673 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)CCS1 ZINC001546115130 1067593311 /nfs/dbraw/zinc/59/33/11/1067593311.db2.gz TUEDVPLAGMAHHQ-HXUWFJFHSA-N 0 0 496.665 4.726 20 0 JJADRN CC[C@](C)(CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)OC ZINC001460263971 1067593535 /nfs/dbraw/zinc/59/35/35/1067593535.db2.gz ILNGZJJFCRDZQM-HXUWFJFHSA-N 0 0 459.443 4.931 20 0 JJADRN O=C(C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccc(Br)s1 ZINC001460269351 1067594239 /nfs/dbraw/zinc/59/42/39/1067594239.db2.gz LKSKGCDSINXVDV-UHFFFAOYSA-N 0 0 453.305 4.575 20 0 JJADRN Cc1ccc(C(=O)OCc2ccc(OC(F)F)c(Br)c2)c(Br)n1 ZINC001460270533 1067594523 /nfs/dbraw/zinc/59/45/23/1067594523.db2.gz DSSLKYSFLMWWGV-UHFFFAOYSA-N 0 0 451.061 4.873 20 0 JJADRN CC[C@@H](C)n1c2ccc(NC(=O)c3cn(-c4cccc(OC)c4)nn3)cc2nc1C(F)(F)F ZINC001460271566 1067594649 /nfs/dbraw/zinc/59/46/49/1067594649.db2.gz SOESVGSTKJDGKT-CYBMUJFWSA-N 0 0 458.444 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279474 1067596530 /nfs/dbraw/zinc/59/65/30/1067596530.db2.gz LDLGZOGZNIWARB-AKIFATBCSA-N 0 0 455.643 4.589 20 0 JJADRN CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001460285575 1067598630 /nfs/dbraw/zinc/59/86/30/1067598630.db2.gz ZGTHEUNVXZWTIU-AWEZNQCLSA-N 0 0 451.336 4.663 20 0 JJADRN COc1ccc(Br)c(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1 ZINC001460286958 1067598862 /nfs/dbraw/zinc/59/88/62/1067598862.db2.gz OESSBZCFFFSYCA-UHFFFAOYSA-N 0 0 452.370 4.735 20 0 JJADRN COc1cc(-c2nc(CN[C@@H](CCO)c3cccc(OC(F)(F)F)c3)cs2)ccc1O ZINC001460288329 1067599544 /nfs/dbraw/zinc/59/95/44/1067599544.db2.gz BOCUEUKWTGWZLD-KRWDZBQOSA-N 0 0 454.470 4.636 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@]1(C)Cc1ccccc1F ZINC001460290567 1067599913 /nfs/dbraw/zinc/59/99/13/1067599913.db2.gz SFRUHMGMKJQUOA-QFIPXVFZSA-N 0 0 453.341 4.955 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001460291976 1067599958 /nfs/dbraw/zinc/59/99/58/1067599958.db2.gz ZOLRPEURGKQILL-IBGZPJMESA-N 0 0 450.560 4.839 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001460294736 1067600549 /nfs/dbraw/zinc/60/05/49/1067600549.db2.gz GLITXWKXIWFYHK-BHIFYINESA-N 0 0 451.611 4.938 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCC(C)C)CCS1 ZINC001546115311 1067600586 /nfs/dbraw/zinc/60/05/86/1067600586.db2.gz ZTNPXFNGJNGCOD-XMMPIXPASA-N 0 0 474.671 4.973 20 0 JJADRN O=C(C[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300549 1067601911 /nfs/dbraw/zinc/60/19/11/1067601911.db2.gz FZUIQJYZUNWMMX-HNNXBMFYSA-N 0 0 455.318 4.785 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301157 1067601954 /nfs/dbraw/zinc/60/19/54/1067601954.db2.gz BRAKJHKMFHXETQ-JENIJYKNSA-N 0 0 455.624 4.651 20 0 JJADRN Cc1nn(C)c(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)c1Br ZINC001460302330 1067602231 /nfs/dbraw/zinc/60/22/31/1067602231.db2.gz KMOMRTJVRKHSEL-UHFFFAOYSA-N 0 0 450.340 4.904 20 0 JJADRN Cc1ccc2nc(NC(=O)CN3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)sc2c1 ZINC001460303224 1067602739 /nfs/dbraw/zinc/60/27/39/1067602739.db2.gz WGABWIRCJXYFLS-RBUKOAKNSA-N 0 0 451.592 4.601 20 0 JJADRN Cn1c(=O)c(COC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc2ccccc21 ZINC001460303844 1067603327 /nfs/dbraw/zinc/60/33/27/1067603327.db2.gz JCYPNOAGRJZZLO-UHFFFAOYSA-N 0 0 456.214 4.557 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309272 1067604616 /nfs/dbraw/zinc/60/46/16/1067604616.db2.gz WLXGAJKPIYQAIA-FGZHOGPDSA-N 0 0 450.583 4.618 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cn(CC(F)(F)c3ccccc3)nn2)cc1 ZINC001460311289 1067604734 /nfs/dbraw/zinc/60/47/34/1067604734.db2.gz DROQGRNFUIRCJU-UHFFFAOYSA-N 0 0 458.465 4.774 20 0 JJADRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309916 1067605034 /nfs/dbraw/zinc/60/50/34/1067605034.db2.gz YQZVVGLJQVWOKL-DWLFOUALSA-N 0 0 458.647 4.547 20 0 JJADRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309914 1067605054 /nfs/dbraw/zinc/60/50/54/1067605054.db2.gz YQZVVGLJQVWOKL-CBQOVEMMSA-N 0 0 458.647 4.547 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001460312645 1067605371 /nfs/dbraw/zinc/60/53/71/1067605371.db2.gz GUMXMZGDMOTVOZ-NSHDSACASA-N 0 0 450.411 4.532 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N[C@@](C)(Cc3ccc(Cl)cc3)C(C)C)cn2)cc1OC ZINC001460315536 1067605881 /nfs/dbraw/zinc/60/58/81/1067605881.db2.gz XVEKVKRDULGRHU-VWLOTQADSA-N 0 0 455.986 4.989 20 0 JJADRN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001460317602 1067606372 /nfs/dbraw/zinc/60/63/72/1067606372.db2.gz FLCGNYJWFVMIDP-SNVBAGLBSA-N 0 0 459.898 4.874 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)c(Br)c3)CC2=O)cc1 ZINC001460319948 1067607232 /nfs/dbraw/zinc/60/72/32/1067607232.db2.gz ABWUIWDDMLQKRI-JSGCOSHPSA-N 0 0 451.361 4.540 20 0 JJADRN O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC001460322281 1067607664 /nfs/dbraw/zinc/60/76/64/1067607664.db2.gz SXJFGRWMURURHB-JTSKRJEESA-N 0 0 458.004 4.861 20 0 JJADRN CC(=O)N(c1nc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325058 1067608570 /nfs/dbraw/zinc/60/85/70/1067608570.db2.gz GHOSOULUBYUWME-PMACEKPBSA-N 0 0 458.628 4.918 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCCc1cccc(C(F)(F)F)n1 ZINC001460326807 1067608852 /nfs/dbraw/zinc/60/88/52/1067608852.db2.gz WUWPLWXKEUEECJ-UHFFFAOYSA-N 0 0 458.303 4.764 20 0 JJADRN O=C(CN1c2cc(F)ccc2OC[C@H]1CCO)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460330513 1067609928 /nfs/dbraw/zinc/60/99/28/1067609928.db2.gz DKBSHUAQMKFJHD-GOSISDBHSA-N 0 0 456.901 4.860 20 0 JJADRN CCOc1ccc(-c2nc(CN3CCC(N(CCOC)C(=O)OC(C)(C)C)CC3)co2)cc1 ZINC001460335506 1067610907 /nfs/dbraw/zinc/61/09/07/1067610907.db2.gz KWZWABNPTHHRPS-UHFFFAOYSA-N 0 0 459.587 4.588 20 0 JJADRN O=C(NC/C=C\c1ccc(Br)cc1)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001460335731 1067610972 /nfs/dbraw/zinc/61/09/72/1067610972.db2.gz ACQKBRFFFHAWII-ARJAWSKDSA-N 0 0 458.306 4.845 20 0 JJADRN CSc1cc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)ccc1F ZINC001460340537 1067611928 /nfs/dbraw/zinc/61/19/28/1067611928.db2.gz IVGIPGZPDCSJHG-UHFFFAOYSA-N 0 0 456.352 4.971 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NC/C=C\c2ccc(Br)cc2)c1 ZINC001460344121 1067612933 /nfs/dbraw/zinc/61/29/33/1067612933.db2.gz PLOZVWXTJYTBGE-ARJAWSKDSA-N 0 0 455.146 4.672 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc(C(F)(F)F)c1 ZINC001460345093 1067613460 /nfs/dbraw/zinc/61/34/60/1067613460.db2.gz TZQMYYWXMHUSKM-UHFFFAOYSA-N 0 0 452.820 4.653 20 0 JJADRN CS(=O)(=O)CC1CCC(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC001460349563 1067614164 /nfs/dbraw/zinc/61/41/64/1067614164.db2.gz MYPFOVSHIUPIDV-GRXDXKALSA-N 0 0 453.576 4.518 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001460351261 1067614465 /nfs/dbraw/zinc/61/44/65/1067614465.db2.gz SFYVBHQGDDSUFA-DYVFJYSZSA-N 0 0 451.470 4.738 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)cc1 ZINC001460350863 1067614548 /nfs/dbraw/zinc/61/45/48/1067614548.db2.gz MKRRGIQXHDJFOX-UHFFFAOYSA-N 0 0 458.805 4.604 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc2c(c1)NC(=O)CS2 ZINC001460352708 1067615082 /nfs/dbraw/zinc/61/50/82/1067615082.db2.gz ZMZWMHNAMVRUCY-UHFFFAOYSA-N 0 0 451.773 4.608 20 0 JJADRN COc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)nc1 ZINC001460354545 1067615319 /nfs/dbraw/zinc/61/53/19/1067615319.db2.gz USZRYBLKUYQMCM-UHFFFAOYSA-N 0 0 457.269 4.555 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@H](C)c3cccc(C)c32)cc1OC ZINC001460354695 1067615341 /nfs/dbraw/zinc/61/53/41/1067615341.db2.gz VSGNNHFKYZBAJW-LBPRGKRZSA-N 0 0 451.304 4.771 20 0 JJADRN CCCCCn1nc(C(=O)Nc2cc(C(=O)OCC)nc3ccccc32)c2ccccc2c1=O ZINC001460353740 1067615369 /nfs/dbraw/zinc/61/53/69/1067615369.db2.gz DQUVABYSMQFVFI-UHFFFAOYSA-N 0 0 458.518 4.564 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1 ZINC001460355318 1067615813 /nfs/dbraw/zinc/61/58/13/1067615813.db2.gz CJBDGKGSVRDZTI-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN COc1ccc(-c2nc(CN3CCC[C@@H]3c3nccc(C(F)(F)F)n3)cs2)c(OC)c1 ZINC001460372293 1067620864 /nfs/dbraw/zinc/62/08/64/1067620864.db2.gz ZCRAEYHTSRYPOH-MRXNPFEDSA-N 0 0 450.486 4.973 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc(Br)ccc2Cl)C1=O ZINC001460372991 1067620891 /nfs/dbraw/zinc/62/08/91/1067620891.db2.gz HMXPBIKLDLOBFA-KPZWWZAWSA-N 0 0 453.739 4.724 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccccc2OCc2cccs2)C1=O ZINC001460373948 1067620901 /nfs/dbraw/zinc/62/09/01/1067620901.db2.gz JOXJQIKCGNBYIP-HTAPYJJXSA-N 0 0 452.551 4.948 20 0 JJADRN CC(C)(C)Sc1ccc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1F ZINC001460377772 1067622177 /nfs/dbraw/zinc/62/21/77/1067622177.db2.gz IVGZGVYEYFHWAC-UHFFFAOYSA-N 0 0 450.601 4.828 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(N2CCC(C)CC2)cc1 ZINC001460381535 1067622826 /nfs/dbraw/zinc/62/28/26/1067622826.db2.gz HKSIMJWKLXMMCA-UHFFFAOYSA-N 0 0 450.320 4.788 20 0 JJADRN O=C(NCc1ccc(OC(F)F)c(F)c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001460382747 1067622836 /nfs/dbraw/zinc/62/28/36/1067622836.db2.gz YCFIQXDLXRMMEZ-SFHVURJKSA-N 0 0 457.290 4.643 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccccc1[S@](=O)C(F)(F)F ZINC001460385058 1067623344 /nfs/dbraw/zinc/62/33/44/1067623344.db2.gz QPARZAWRUGOUCL-LJAQVGFWSA-N 0 0 459.511 4.673 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001460386623 1067623711 /nfs/dbraw/zinc/62/37/11/1067623711.db2.gz YCUYFDXWNGWXJS-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN COc1cc(I)ccc1NC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001460386797 1067623749 /nfs/dbraw/zinc/62/37/49/1067623749.db2.gz ZKGDKHYKONABQR-IBGZPJMESA-N 0 0 450.320 4.997 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2nnc(C(C)C)s2)cc1F ZINC001460388415 1067624245 /nfs/dbraw/zinc/62/42/45/1067624245.db2.gz GKESSQWRBHGNMN-WMZOPIPTSA-N 0 0 464.607 4.692 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1C ZINC001460390322 1067624469 /nfs/dbraw/zinc/62/44/69/1067624469.db2.gz UXGVKGJJSINBQA-QFIPXVFZSA-N 0 0 450.604 4.714 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001460391269 1067624896 /nfs/dbraw/zinc/62/48/96/1067624896.db2.gz PMUCJBKDCXWHMO-VABKMULXSA-N 0 0 474.642 4.888 20 0 JJADRN Cc1ccccc1Cc1noc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)n1 ZINC001460392436 1067625257 /nfs/dbraw/zinc/62/52/57/1067625257.db2.gz SJUPWENQXHFIIC-DHIUTWEWSA-N 0 0 480.584 4.991 20 0 JJADRN CCn1c(SCC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)nnc1-c1cccc(C)c1 ZINC001460398444 1067626922 /nfs/dbraw/zinc/62/69/22/1067626922.db2.gz NBJQVIIDSDSJPM-HXUWFJFHSA-N 0 0 456.999 4.699 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC001460401302 1067627229 /nfs/dbraw/zinc/62/72/29/1067627229.db2.gz SQJQHDGMTMCNDQ-FJIJXJHWSA-N 0 0 454.636 4.872 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460401318 1067627302 /nfs/dbraw/zinc/62/73/02/1067627302.db2.gz SQJQHDGMTMCNDQ-SSPYTLHUSA-N 0 0 454.636 4.872 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccn3C)n2Cc2cccc(Br)n2)CCS1 ZINC001546116033 1067627752 /nfs/dbraw/zinc/62/77/52/1067627752.db2.gz FESSZBMTHOOCCZ-UHFFFAOYSA-N 0 0 475.460 4.601 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)CC2=O)ccc1Br ZINC001460404813 1067628191 /nfs/dbraw/zinc/62/81/91/1067628191.db2.gz WISDQSWCDSXZBJ-QKNQBKEWSA-N 0 0 455.396 4.811 20 0 JJADRN O=C(Nc1cc2c(cn1)CCCC2)c1cc(Br)cc(I)c1 ZINC001460405984 1067628217 /nfs/dbraw/zinc/62/82/17/1067628217.db2.gz XIPCXBZKIFCEOL-UHFFFAOYSA-N 0 0 457.109 4.580 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)CC2=O)ccc1Br ZINC001460404823 1067628224 /nfs/dbraw/zinc/62/82/24/1067628224.db2.gz WISDQSWCDSXZBJ-SFHLNBCPSA-N 0 0 455.396 4.811 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405347 1067628259 /nfs/dbraw/zinc/62/82/59/1067628259.db2.gz QWXLLQKXCVMVAT-VGSWGCGISA-N 0 0 452.576 4.948 20 0 JJADRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001460409667 1067629175 /nfs/dbraw/zinc/62/91/75/1067629175.db2.gz SYKMZNGECOPQEB-LEWJYISDSA-N 0 0 450.604 4.830 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C1 ZINC001460412486 1067630111 /nfs/dbraw/zinc/63/01/11/1067630111.db2.gz BYPUKMRETNVMBR-JKSUJKDBSA-N 0 0 479.524 4.854 20 0 JJADRN Cc1ccccc1Cc1noc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)n1 ZINC001460412250 1067630209 /nfs/dbraw/zinc/63/02/09/1067630209.db2.gz UOXBWCDXPTVXOR-DHIUTWEWSA-N 0 0 462.594 4.852 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCO[C@@](C)(C2CC2)C1 ZINC001460414065 1067630846 /nfs/dbraw/zinc/63/08/46/1067630846.db2.gz VQVRFTXIYUIUQQ-RUZDIDTESA-N 0 0 456.608 4.648 20 0 JJADRN CN(C)C(=O)c1ccc(OC2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)nc1 ZINC001460413716 1067630850 /nfs/dbraw/zinc/63/08/50/1067630850.db2.gz ZAMXXHDTYADBAS-UHFFFAOYSA-N 0 0 456.999 4.604 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001460415713 1067631316 /nfs/dbraw/zinc/63/13/16/1067631316.db2.gz NAHAMBYDEBWGHX-JOCHJYFZSA-N 0 0 459.656 4.751 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001460417102 1067631351 /nfs/dbraw/zinc/63/13/51/1067631351.db2.gz KMRSOHCETZQUEK-KBXCAEBGSA-N 0 0 455.555 4.704 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)c(OC)c2)CCS1 ZINC001546116160 1067631779 /nfs/dbraw/zinc/63/17/79/1067631779.db2.gz JGZKBRHDIYPPSO-UHFFFAOYSA-N 0 0 459.019 4.557 20 0 JJADRN COc1cccc([C@@]2(C)CCN(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426376 1067632745 /nfs/dbraw/zinc/63/27/45/1067632745.db2.gz LKBLYDCRNCLUJV-FQEVSTJZSA-N 0 0 451.880 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)Cc3ccc(Br)cc3)ccc21 ZINC001460429760 1067633198 /nfs/dbraw/zinc/63/31/98/1067633198.db2.gz OUENAPMUYVZTLE-UHFFFAOYSA-N 0 0 459.384 4.996 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(F)cc1Cl ZINC001460429233 1067633232 /nfs/dbraw/zinc/63/32/32/1067633232.db2.gz GMYHSMLVYDAAFO-KGLIPLIRSA-N 0 0 454.876 4.810 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3Cl)CC2=O)ccc1Br ZINC001460431367 1067633613 /nfs/dbraw/zinc/63/36/13/1067633613.db2.gz SPMJOOSPAZCGFN-OLZOCXBDSA-N 0 0 453.739 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2nc(CC(F)(F)F)cs2)(c2ccccc2)C1 ZINC001460435747 1067634310 /nfs/dbraw/zinc/63/43/10/1067634310.db2.gz QMZAHGFLWPCFOI-HXUWFJFHSA-N 0 0 455.502 4.765 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001460434753 1067634411 /nfs/dbraw/zinc/63/44/11/1067634411.db2.gz VQXAUSJSTZSUNB-GFCCVEGCSA-N 0 0 450.322 4.791 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437473 1067634801 /nfs/dbraw/zinc/63/48/01/1067634801.db2.gz PSYVPDDMONOOSI-DEOSSOPVSA-N 0 0 456.030 4.609 20 0 JJADRN COc1cc(-c2noc(CCC(=O)NC[C@H](c3ccccc3)C3CC3)n2)cc(Cl)c1OC ZINC001460438043 1067634852 /nfs/dbraw/zinc/63/48/52/1067634852.db2.gz XMNHZAGGJSMDAQ-GOSISDBHSA-N 0 0 455.942 4.650 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3c4cccc(Br)c4CC3(C)C)CC2=O)ccc1F ZINC001460441005 1067635414 /nfs/dbraw/zinc/63/54/14/1067635414.db2.gz AQFIZJSPJUUOCR-SPLOXXLWSA-N 0 0 459.359 4.689 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)CCS1 ZINC001546116321 1067635453 /nfs/dbraw/zinc/63/54/53/1067635453.db2.gz PRYGEBDLYBLRLD-UHFFFAOYSA-N 0 0 485.698 4.857 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441050 1067635656 /nfs/dbraw/zinc/63/56/56/1067635656.db2.gz AQVRWZBFUNXXAX-GOSISDBHSA-N 0 0 450.808 4.870 20 0 JJADRN O=C(N1CCC[C@H](C2CCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1)C(F)(F)F ZINC001460444934 1067636198 /nfs/dbraw/zinc/63/61/98/1067636198.db2.gz JCKWEKGNSCBZAU-KRWDZBQOSA-N 0 0 454.924 4.539 20 0 JJADRN COc1ccc2c(c1)CCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447488 1067636553 /nfs/dbraw/zinc/63/65/53/1067636553.db2.gz ZQQQECQNZGNYGF-FQEVSTJZSA-N 0 0 457.574 4.525 20 0 JJADRN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)C(=O)c1ccc(Br)s1 ZINC001460450355 1067637096 /nfs/dbraw/zinc/63/70/96/1067637096.db2.gz HVZRCCVJTPSMCV-OAHLLOKOSA-N 0 0 457.187 4.896 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457590 1067637445 /nfs/dbraw/zinc/63/74/45/1067637445.db2.gz PELGCXOUYOPXPQ-IBGZPJMESA-N 0 0 450.808 4.870 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN[C@H](C(F)F)C1CCCCC1 ZINC001460460072 1067638133 /nfs/dbraw/zinc/63/81/33/1067638133.db2.gz GCPJQFAEUNDXDV-KRWDZBQOSA-N 0 0 453.555 4.832 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001460464000 1067639051 /nfs/dbraw/zinc/63/90/51/1067639051.db2.gz VVIQASZOEYOPNM-RDGATRHJSA-N 0 0 455.476 4.994 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465872 1067639114 /nfs/dbraw/zinc/63/91/14/1067639114.db2.gz YROZWKIMUOQNHM-QFIPXVFZSA-N 0 0 457.018 4.702 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC001460467511 1067639552 /nfs/dbraw/zinc/63/95/52/1067639552.db2.gz JLFJWEATDVSXJI-KRWDZBQOSA-N 0 0 451.158 4.978 20 0 JJADRN C[C@@H](N[C@@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468829 1067639587 /nfs/dbraw/zinc/63/95/87/1067639587.db2.gz FLWDYVASLSQWNO-BZNIZROVSA-N 0 0 454.354 4.906 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001460471787 1067639944 /nfs/dbraw/zinc/63/99/44/1067639944.db2.gz LNFLHOHGBVIHLE-QHCPKHFHSA-N 0 0 450.579 4.822 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NC2(Cc3ccccc3Br)CC2)n1 ZINC001460470012 1067640013 /nfs/dbraw/zinc/64/00/13/1067640013.db2.gz GULIDRXTAKVWEQ-UHFFFAOYSA-N 0 0 453.178 4.630 20 0 JJADRN O=C(CN[C@@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001460474711 1067640840 /nfs/dbraw/zinc/64/08/40/1067640840.db2.gz WBZGPKDFQALKKU-GGAORHGYSA-N 0 0 455.385 4.791 20 0 JJADRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCCc1cnc(SC2CCCC2)nc1 ZINC001460478690 1067641666 /nfs/dbraw/zinc/64/16/66/1067641666.db2.gz NQSMQBHWNXZINO-UHFFFAOYSA-N 0 0 457.987 4.506 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001460478006 1067641738 /nfs/dbraw/zinc/64/17/38/1067641738.db2.gz INZNTGYQZIJVEW-HNNXBMFYSA-N 0 0 451.792 4.997 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001460478008 1067641742 /nfs/dbraw/zinc/64/17/42/1067641742.db2.gz INZNTGYQZIJVEW-OAHLLOKOSA-N 0 0 451.792 4.997 20 0 JJADRN Cc1ccccc1[C@@H](C)C(=O)Nc1ncc(Br)c(C)c1I ZINC001460479529 1067642356 /nfs/dbraw/zinc/64/23/56/1067642356.db2.gz PDLDGLUQVSOVBR-SNVBAGLBSA-N 0 0 459.125 4.808 20 0 JJADRN CCOC(=O)c1c(CN2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)occ1C(F)(F)F ZINC001460481828 1067642738 /nfs/dbraw/zinc/64/27/38/1067642738.db2.gz RROYUEWUQOIWHI-LJQANCHMSA-N 0 0 453.457 4.916 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001460480846 1067642756 /nfs/dbraw/zinc/64/27/56/1067642756.db2.gz UQXZAFCDVFIWSH-UHFFFAOYSA-N 0 0 454.155 4.651 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)CC2=O)cc1 ZINC001460482280 1067643210 /nfs/dbraw/zinc/64/32/10/1067643210.db2.gz NUZCFGOADFNSGB-FCHUYYIVSA-N 0 0 454.998 4.711 20 0 JJADRN CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001460483650 1067643290 /nfs/dbraw/zinc/64/32/90/1067643290.db2.gz YPAMMBDADRIUEX-UHFFFAOYSA-N 0 0 459.871 4.755 20 0 JJADRN COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)c(C(F)(F)F)c1 ZINC001460487074 1067644049 /nfs/dbraw/zinc/64/40/49/1067644049.db2.gz WJVQYTPOFFHXTF-UHFFFAOYSA-N 0 0 458.392 4.664 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)o2)cc1 ZINC001460487449 1067644062 /nfs/dbraw/zinc/64/40/62/1067644062.db2.gz VGCOKIKNWCBCJO-FQEVSTJZSA-N 0 0 456.587 4.937 20 0 JJADRN CC(C)(C)CN(CC(=O)OC(C)(C)C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC001460497052 1067645311 /nfs/dbraw/zinc/64/53/11/1067645311.db2.gz UFSCGTNYCAAVGE-XMMPIXPASA-N 0 0 456.652 4.912 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(Br)nn2C)c1 ZINC001460502147 1067645581 /nfs/dbraw/zinc/64/55/81/1067645581.db2.gz WIHHHGHDANPCDH-UHFFFAOYSA-N 0 0 454.303 4.735 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3cc(Br)nn3C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001460501210 1067645592 /nfs/dbraw/zinc/64/55/92/1067645592.db2.gz SZERPEFHOXHRNO-UHFFFAOYSA-N 0 0 457.332 4.637 20 0 JJADRN COc1cc(OC)c(C2CCN(Cc3ncc(Br)cc3Cl)CC2)c(OC)c1 ZINC001460509592 1067646564 /nfs/dbraw/zinc/64/65/64/1067646564.db2.gz KYRNUHSLSGJBGH-UHFFFAOYSA-N 0 0 455.780 4.903 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001460520827 1067648178 /nfs/dbraw/zinc/64/81/78/1067648178.db2.gz JROGBNXCGICHBE-IINYFYTJSA-N 0 0 458.308 4.708 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001460520820 1067648189 /nfs/dbraw/zinc/64/81/89/1067648189.db2.gz JROGBNXCGICHBE-HZMBPMFUSA-N 0 0 458.308 4.708 20 0 JJADRN CC(C)c1ccc(CN(C(=O)CN2CCOc3cc(Br)ccc3C2)C2CC2)cc1 ZINC001460521932 1067648597 /nfs/dbraw/zinc/64/85/97/1067648597.db2.gz ZQBDSLVFHUUSOM-UHFFFAOYSA-N 0 0 457.412 4.958 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522352 1067648630 /nfs/dbraw/zinc/64/86/30/1067648630.db2.gz BYEBZFRAKUOXDL-NSHDSACASA-N 0 0 453.351 4.666 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)c3cc(C)nc4cc(Br)ccc43)n2C)cc1 ZINC001460526812 1067650757 /nfs/dbraw/zinc/65/07/57/1067650757.db2.gz INWWIRUYTZAAER-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)n2C)cc1 ZINC001460529187 1067651244 /nfs/dbraw/zinc/65/12/44/1067651244.db2.gz SYPHKANASVAKOR-UHFFFAOYSA-N 0 0 455.440 4.861 20 0 JJADRN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001460530826 1067652198 /nfs/dbraw/zinc/65/21/98/1067652198.db2.gz HPSSDTJXWVOGLP-UHLUBPPHSA-N 0 0 454.649 4.533 20 0 JJADRN Cc1cc(Cl)cnc1NC(=O)c1cccc(Br)c1I ZINC001460535796 1067652739 /nfs/dbraw/zinc/65/27/39/1067652739.db2.gz UDHCPUWQOYSWLF-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)[C@H](C)c3ccc(Br)cc3)c2)ccn1 ZINC001460538966 1067653213 /nfs/dbraw/zinc/65/32/13/1067653213.db2.gz AVBVLIDWQSFSHA-CQSZACIVSA-N 0 0 454.324 4.738 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)/C=C(\C)c3ccccc3OC(F)F)c2)ccn1 ZINC001460539419 1067653337 /nfs/dbraw/zinc/65/33/37/1067653337.db2.gz GEHKRXWJMBAFTH-NTCAYCPXSA-N 0 0 453.445 4.877 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCC[C@@H]1CCc2ccccc21 ZINC001460547130 1067654260 /nfs/dbraw/zinc/65/42/60/1067654260.db2.gz QPUOIPVWDNZZCV-SFHVURJKSA-N 0 0 455.480 4.927 20 0 JJADRN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001460546159 1067654265 /nfs/dbraw/zinc/65/42/65/1067654265.db2.gz YMKKNEVSYXWHGQ-UNMCSNQZSA-N 0 0 452.595 4.988 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC001460547620 1067654300 /nfs/dbraw/zinc/65/43/00/1067654300.db2.gz SAMGFZZERDIFKX-FOIQADDNSA-N 0 0 451.489 4.536 20 0 JJADRN O=C(Nc1nccc2cc(Br)ccc21)c1ccc(I)cc1 ZINC001460551351 1067654658 /nfs/dbraw/zinc/65/46/58/1067654658.db2.gz LJWSAPXHYRNOQR-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCCc2c(F)cccc21 ZINC001460553039 1067655321 /nfs/dbraw/zinc/65/53/21/1067655321.db2.gz IDOWTNLYBUPOFL-LJQANCHMSA-N 0 0 453.295 4.783 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CCS1 ZINC001546117272 1067655872 /nfs/dbraw/zinc/65/58/72/1067655872.db2.gz APALKJFCSZXPON-UHFFFAOYSA-N 0 0 478.728 4.572 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3c(F)ccc(Br)c3C2)cn1 ZINC001460560009 1067655881 /nfs/dbraw/zinc/65/58/81/1067655881.db2.gz OAKYKNUBAOWIBN-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCC[C@@H]1CCc2ccccc21 ZINC001460562226 1067656615 /nfs/dbraw/zinc/65/66/15/1067656615.db2.gz VDBQCGVAZVHFAS-ZDUSSCGKSA-N 0 0 455.723 4.803 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N1CCc2cc(F)cc(Br)c2C1 ZINC001460567578 1067657541 /nfs/dbraw/zinc/65/75/41/1067657541.db2.gz RXOIQVXNSUFAIM-QGZVFWFLSA-N 0 0 457.137 4.623 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN3CCC([C@H](O)c4cccc(OC)c4)CC3)o2)cc1 ZINC001460568599 1067657550 /nfs/dbraw/zinc/65/75/50/1067657550.db2.gz JGOMLFNESIDQQN-VWLOTQADSA-N 0 0 451.567 4.870 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC001460580371 1067660517 /nfs/dbraw/zinc/66/05/17/1067660517.db2.gz JVXRYOZOMCINJI-MRXNPFEDSA-N 0 0 451.548 4.910 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001460582005 1067661218 /nfs/dbraw/zinc/66/12/18/1067661218.db2.gz OLTVKERHXMOHGB-IBGZPJMESA-N 0 0 450.760 4.885 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(C)n(C4CCCCC4)n3)cc2F)ccn1 ZINC001460583637 1067661768 /nfs/dbraw/zinc/66/17/68/1067661768.db2.gz GWZPDPLJLLGIDR-UHFFFAOYSA-N 0 0 451.502 4.635 20 0 JJADRN CCOC(=O)c1cc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)[nH]c1C ZINC001460583322 1067661772 /nfs/dbraw/zinc/66/17/72/1067661772.db2.gz VJWLORVJUIYDQY-HNNXBMFYSA-N 0 0 451.498 4.691 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(C)c(OC(F)F)c(C)c3)cc2F)ccn1 ZINC001460585618 1067662736 /nfs/dbraw/zinc/66/27/36/1067662736.db2.gz SEONVFKCFRPHRE-UHFFFAOYSA-N 0 0 459.424 4.843 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1Br ZINC001460587761 1067663191 /nfs/dbraw/zinc/66/31/91/1067663191.db2.gz XALUSRXINMJRFP-UHFFFAOYSA-N 0 0 458.352 4.689 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC001460588607 1067663606 /nfs/dbraw/zinc/66/36/06/1067663606.db2.gz AZEUZGLNDQTVMF-GOSISDBHSA-N 0 0 457.785 4.966 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001460588776 1067663639 /nfs/dbraw/zinc/66/36/39/1067663639.db2.gz BNXIMKFBXWZFTR-YADHBBJMSA-N 0 0 454.929 4.502 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC001460588466 1067663662 /nfs/dbraw/zinc/66/36/62/1067663662.db2.gz AGIIKVXTFRVITQ-UKILVPOCSA-N 0 0 457.014 4.842 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ncc(-c3ccc(Br)cc3)s2)CC1 ZINC001460590140 1067664231 /nfs/dbraw/zinc/66/42/31/1067664231.db2.gz NXZQIYIDKPAMHG-UHFFFAOYSA-N 0 0 452.374 4.959 20 0 JJADRN CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001460592412 1067664503 /nfs/dbraw/zinc/66/45/03/1067664503.db2.gz QKYYADYRSROYPN-UHFFFAOYSA-N 0 0 450.988 4.913 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(Br)cc3F)CC2=O)cc1 ZINC001460597157 1067665562 /nfs/dbraw/zinc/66/55/62/1067665562.db2.gz CWOJMWRFTZRFLF-QWHCGFSZSA-N 0 0 451.361 4.540 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)OC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC001460597429 1067665609 /nfs/dbraw/zinc/66/56/09/1067665609.db2.gz JEZRIBKJTMUQIF-JOCHJYFZSA-N 0 0 451.560 4.807 20 0 JJADRN COc1cccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccc(Br)cc2Cl)c1 ZINC001460600399 1067667011 /nfs/dbraw/zinc/66/70/11/1067667011.db2.gz FGUVPXIKZQPETC-LJQANCHMSA-N 0 0 458.805 4.722 20 0 JJADRN Cn1cc(Br)cc1C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001460603302 1067668112 /nfs/dbraw/zinc/66/81/12/1067668112.db2.gz DFKLDDVFYSGXTR-QGZVFWFLSA-N 0 0 450.377 4.564 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1nccn1-c1ccccc1 ZINC001460605308 1067669219 /nfs/dbraw/zinc/66/92/19/1067669219.db2.gz FZJUWOUAENEOEZ-LBPRGKRZSA-N 0 0 451.695 4.621 20 0 JJADRN O[C@H](c1ccccc1)[C@H]1CCCN1CCOc1c(Br)cccc1Br ZINC001460606935 1067669638 /nfs/dbraw/zinc/66/96/38/1067669638.db2.gz IEGSTEWQFZMWSR-QZTJIDSGSA-N 0 0 455.190 4.788 20 0 JJADRN CCOC(=O)c1nnn(C2CCN(Cc3nc(C4CCCCC4)cs3)CC2)c1C(F)F ZINC001460606989 1067669702 /nfs/dbraw/zinc/66/97/02/1067669702.db2.gz WBYDPNDJPIHIAL-UHFFFAOYSA-N 0 0 453.559 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC001460607854 1067670163 /nfs/dbraw/zinc/67/01/63/1067670163.db2.gz PNXVXTASOZSVGE-RCCFBDPRSA-N 0 0 454.489 4.595 20 0 JJADRN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001460608194 1067670195 /nfs/dbraw/zinc/67/01/95/1067670195.db2.gz JKAGQVHMVNZTNG-OXQOHEQNSA-N 0 0 450.476 4.971 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC001460609166 1067670846 /nfs/dbraw/zinc/67/08/46/1067670846.db2.gz ODAWOWBKWBTSKJ-FHWLQOOXSA-N 0 0 458.521 4.896 20 0 JJADRN Cc1c(I)cc(Br)cc1C(=O)Nc1cc(C2CC2)ccn1 ZINC001460612497 1067671877 /nfs/dbraw/zinc/67/18/77/1067671877.db2.gz KMCYXRLEYJMGNY-UHFFFAOYSA-N 0 0 457.109 4.887 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612531 1067672449 /nfs/dbraw/zinc/67/24/49/1067672449.db2.gz VTCNGHSECCILIU-ZBFHGGJFSA-N 0 0 457.397 4.931 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccncc1OC[C@H]1CCOC1 ZINC001460612944 1067672515 /nfs/dbraw/zinc/67/25/15/1067672515.db2.gz AFKQVGMZJVWWHO-SFHVURJKSA-N 0 0 458.986 4.893 20 0 JJADRN CCOCc1nc([C@@H](C)NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)no1 ZINC001460614328 1067673015 /nfs/dbraw/zinc/67/30/15/1067673015.db2.gz ZXONMCGMHCJHBN-OAHLLOKOSA-N 0 0 451.914 4.603 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001460615634 1067673514 /nfs/dbraw/zinc/67/35/14/1067673514.db2.gz YRAMMYULRWGTJB-ATZDWAIDSA-N 0 0 453.505 4.935 20 0 JJADRN CC(C)(C)[C@H]1Cc2ccccc2N(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC001460618177 1067674660 /nfs/dbraw/zinc/67/46/60/1067674660.db2.gz SUDUIOSGKAJABW-SFHVURJKSA-N 0 0 457.500 4.950 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001460619833 1067675204 /nfs/dbraw/zinc/67/52/04/1067675204.db2.gz QYUDMCKHNYBHAP-SFHVURJKSA-N 0 0 452.979 4.657 20 0 JJADRN O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)NCCCc1nccs1 ZINC001460621173 1067675234 /nfs/dbraw/zinc/67/52/34/1067675234.db2.gz YPPUSCWELIPLCX-UHFFFAOYSA-N 0 0 456.618 4.503 20 0 JJADRN Cc1c(F)cccc1N(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCO[C@H]1C ZINC001460622682 1067675703 /nfs/dbraw/zinc/67/57/03/1067675703.db2.gz VLVCDWIWNARUTK-XFQAVAEZSA-N 0 0 454.464 4.894 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC001460621546 1067675771 /nfs/dbraw/zinc/67/57/71/1067675771.db2.gz TYWRMMMNBKVWKX-UHFFFAOYSA-N 0 0 450.913 4.794 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCC(F)(F)c1ccccc1 ZINC001460622464 1067675785 /nfs/dbraw/zinc/67/57/85/1067675785.db2.gz HWOVLPHNVYTBTQ-UHFFFAOYSA-N 0 0 451.395 4.599 20 0 JJADRN CCOCC(C)(C)CNC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001460623217 1067676252 /nfs/dbraw/zinc/67/62/52/1067676252.db2.gz ZBFFWZKCYIWNFH-UHFFFAOYSA-N 0 0 452.473 4.515 20 0 JJADRN OC[C@@H](NCc1cc(Cl)ccc1I)c1cccc(C(F)(F)F)c1 ZINC001460625896 1067676725 /nfs/dbraw/zinc/67/67/25/1067676725.db2.gz CTSBVLYDWNMWNZ-OAHLLOKOSA-N 0 0 455.645 4.787 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001460625275 1067676855 /nfs/dbraw/zinc/67/68/55/1067676855.db2.gz GVVGTRATZKVJBY-UHFFFAOYSA-N 0 0 451.348 4.862 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCC1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001460625727 1067676866 /nfs/dbraw/zinc/67/68/66/1067676866.db2.gz LFODBKQUXAISPZ-UHFFFAOYSA-N 0 0 456.306 4.852 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC001460633075 1067678926 /nfs/dbraw/zinc/67/89/26/1067678926.db2.gz DWMLZTFJKSQGAQ-CYBMUJFWSA-N 0 0 457.470 4.871 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001460633786 1067679572 /nfs/dbraw/zinc/67/95/72/1067679572.db2.gz JGOATLKYCPZXFK-ZDUSSCGKSA-N 0 0 454.470 4.552 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccn1 ZINC001460637325 1067680929 /nfs/dbraw/zinc/68/09/29/1067680929.db2.gz ACAPCYSRGIAAQR-JOCHJYFZSA-N 0 0 451.567 4.714 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)cs2)cc1 ZINC001460637912 1067681009 /nfs/dbraw/zinc/68/10/09/1067681009.db2.gz GKDVHCOYTOOXHS-UHFFFAOYSA-N 0 0 454.527 4.910 20 0 JJADRN CCc1ccc([C@H](NC(=O)CN2CCO[C@@H](c3ccc(OC)cc3)C2)c2cccs2)cc1 ZINC001460639067 1067681561 /nfs/dbraw/zinc/68/15/61/1067681561.db2.gz HVDCCDUUXALCCW-BVAGGSTKSA-N 0 0 450.604 4.598 20 0 JJADRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 ZINC001460640546 1067681951 /nfs/dbraw/zinc/68/19/51/1067681951.db2.gz NOYRASJFGQWYOO-OAHLLOKOSA-N 0 0 455.045 4.591 20 0 JJADRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460644728 1067684137 /nfs/dbraw/zinc/68/41/37/1067684137.db2.gz NUVPFDBURUCXLX-OWDMVUQNSA-N 0 0 456.867 4.698 20 0 JJADRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001460645885 1067684765 /nfs/dbraw/zinc/68/47/65/1067684765.db2.gz KHFMGULMWLWNOE-QGZVFWFLSA-N 0 0 459.993 4.634 20 0 JJADRN CC[C@@H](C)[C@@H](OC)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001460647629 1067685242 /nfs/dbraw/zinc/68/52/42/1067685242.db2.gz CCAAHOPWPKKNQO-ZAZKGPHZSA-N 0 0 457.542 4.627 20 0 JJADRN CC[C@@H](C)[C@H](OC)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001460647626 1067685349 /nfs/dbraw/zinc/68/53/49/1067685349.db2.gz CCAAHOPWPKKNQO-NHGJLWFOSA-N 0 0 457.542 4.627 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc2c1COC2=O)c1cccc(C(F)(F)F)c1 ZINC001460648319 1067685729 /nfs/dbraw/zinc/68/57/29/1067685729.db2.gz AFNJHGLDAKLKDO-KRWDZBQOSA-N 0 0 450.413 4.580 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CCS1 ZINC001546117922 1067686228 /nfs/dbraw/zinc/68/62/28/1067686228.db2.gz SQZRECMYDGOBOF-CTNGQTDRSA-N 0 0 471.671 4.509 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC001460648762 1067686261 /nfs/dbraw/zinc/68/62/61/1067686261.db2.gz KYUXGTLEAHYRFG-NRFANRHFSA-N 0 0 458.990 4.577 20 0 JJADRN CC(C)OCc1nc([C@H](C)NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)no1 ZINC001460649358 1067686272 /nfs/dbraw/zinc/68/62/72/1067686272.db2.gz BXIAQKPCKYQARQ-LBPRGKRZSA-N 0 0 454.474 4.552 20 0 JJADRN O=C(CC1(CC(=O)N2CCOCC2)CCCC1)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001460649759 1067686278 /nfs/dbraw/zinc/68/62/78/1067686278.db2.gz FLWVCNLNQZSFHQ-UHFFFAOYSA-N 0 0 452.517 4.648 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3cc4c(cc3Cl)OCCO4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460650477 1067686728 /nfs/dbraw/zinc/68/67/28/1067686728.db2.gz KALGVDMVFWCILF-PZJWPPBQSA-N 0 0 474.985 4.613 20 0 JJADRN COc1ccc(CN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)C(C)(C)C)cc1 ZINC001460653966 1067688244 /nfs/dbraw/zinc/68/82/44/1067688244.db2.gz SEBOPXJJNJOLIA-UHFFFAOYSA-N 0 0 453.608 4.942 20 0 JJADRN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 ZINC001460654232 1067688251 /nfs/dbraw/zinc/68/82/51/1067688251.db2.gz YLVDSXMMELCVCF-INIZCTEOSA-N 0 0 451.498 4.904 20 0 JJADRN CC[C@@H](C)CCC(=O)Nc1cc(I)cc(I)c1 ZINC001460654255 1067688867 /nfs/dbraw/zinc/68/88/67/1067688867.db2.gz YSYNKRZUDICNEA-SECBINFHSA-N 0 0 457.093 4.661 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccc(F)cc3)n2Cc2csc(COC)n2)CCS1 ZINC001546117972 1067688891 /nfs/dbraw/zinc/68/88/91/1067688891.db2.gz UENSPCHPKHYXLO-UHFFFAOYSA-N 0 0 475.659 4.771 20 0 JJADRN O=C(NCC[C@@H]1CN(CCOc2ccccc2Br)c2ccccc21)C(F)(F)F ZINC001460654420 1067688911 /nfs/dbraw/zinc/68/89/11/1067688911.db2.gz VLDSANCGOSWKBB-CQSZACIVSA-N 0 0 457.290 4.500 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC001460654194 1067688919 /nfs/dbraw/zinc/68/89/19/1067688919.db2.gz OMDSJSWJOWWBAD-CQSZACIVSA-N 0 0 450.276 4.602 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)C1(c2ccc(N(C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC001460654909 1067689290 /nfs/dbraw/zinc/68/92/90/1067689290.db2.gz MCBAJOYMKDWRRG-QHCPKHFHSA-N 0 0 451.611 4.729 20 0 JJADRN O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1I ZINC001460655834 1067689840 /nfs/dbraw/zinc/68/98/40/1067689840.db2.gz SKAWFGFIDLJFTE-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCS1 ZINC001546117979 1067689888 /nfs/dbraw/zinc/68/98/88/1067689888.db2.gz UMVUAUDSGVHYAK-VAMGGRTRSA-N 0 0 450.693 4.735 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460659294 1067691316 /nfs/dbraw/zinc/69/13/16/1067691316.db2.gz DDFAOBVBRUSYBU-KRWDZBQOSA-N 0 0 454.386 4.812 20 0 JJADRN C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666672 1067693568 /nfs/dbraw/zinc/69/35/68/1067693568.db2.gz SBPDIQKSOJVOBZ-UKRRQHHQSA-N 0 0 451.311 4.900 20 0 JJADRN C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666675 1067693615 /nfs/dbraw/zinc/69/36/15/1067693615.db2.gz SBPDIQKSOJVOBZ-ZFWWWQNUSA-N 0 0 451.311 4.900 20 0 JJADRN O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)C(F)(F)c1cccc(Br)c1 ZINC001460666684 1067694001 /nfs/dbraw/zinc/69/40/01/1067694001.db2.gz ZZOHPMMYCWQDQN-UHFFFAOYSA-N 0 0 458.324 4.896 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)C)nc2)CCS1 ZINC001546118115 1067694663 /nfs/dbraw/zinc/69/46/63/1067694663.db2.gz XRUWCCNYRPQXRF-HXUWFJFHSA-N 0 0 459.660 4.862 20 0 JJADRN CC[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F)c1cccc(C(F)(F)F)c1 ZINC001460671062 1067694995 /nfs/dbraw/zinc/69/49/95/1067694995.db2.gz LRHICLJWOKMYRN-JKSUJKDBSA-N 0 0 450.448 4.912 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@H]1C(F)F)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460672675 1067695568 /nfs/dbraw/zinc/69/55/68/1067695568.db2.gz GDAHMJXJQZBZFZ-MRXNPFEDSA-N 0 0 456.670 4.938 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674477 1067696065 /nfs/dbraw/zinc/69/60/65/1067696065.db2.gz HBBWWVAHQYHVJD-LJQANCHMSA-N 0 0 452.473 4.980 20 0 JJADRN CCOC(=O)c1sc(C2CCN([C@H](C(=O)OCC)c3cccc(Cl)c3)CC2)nc1C ZINC001460674678 1067696598 /nfs/dbraw/zinc/69/65/98/1067696598.db2.gz DOWIDDBHNKLQCT-SFHVURJKSA-N 0 0 450.988 4.765 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC001460676067 1067697042 /nfs/dbraw/zinc/69/70/42/1067697042.db2.gz QISLKCQXLBZFIF-LJQANCHMSA-N 0 0 452.555 4.778 20 0 JJADRN COc1cc(C(=O)NCc2ccncc2OCCC(C)(C)C)cc(Br)c1OC ZINC001460675387 1067697077 /nfs/dbraw/zinc/69/70/77/1067697077.db2.gz RVTJSSLMESXWAW-UHFFFAOYSA-N 0 0 451.361 4.606 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc1NC(=O)c1ccco1 ZINC001460677846 1067698086 /nfs/dbraw/zinc/69/80/86/1067698086.db2.gz XZQFDHCGEZWMAL-UHFFFAOYSA-N 0 0 452.532 4.809 20 0 JJADRN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460680689 1067699106 /nfs/dbraw/zinc/69/91/06/1067699106.db2.gz HUWAEZFWGBLTIO-UHOSZYNNSA-N 0 0 454.489 4.739 20 0 JJADRN CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460680483 1067699222 /nfs/dbraw/zinc/69/92/22/1067699222.db2.gz GKUCBVRVUSFDAN-IHPCNDPISA-N 0 0 457.368 4.579 20 0 JJADRN COC[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1cccc(Cl)c1 ZINC001460681128 1067699612 /nfs/dbraw/zinc/69/96/12/1067699612.db2.gz MOWIWLRIALOXAL-OAQYLSRUSA-N 0 0 450.901 4.844 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(Br)cc3F)n2)cc1F ZINC001460681561 1067699663 /nfs/dbraw/zinc/69/96/63/1067699663.db2.gz PAJCNIMRPMVFCL-GFCCVEGCSA-N 0 0 450.283 4.896 20 0 JJADRN O=C(Nc1cc(Cl)cc(Br)c1)c1cccnc1-n1cc(Br)cn1 ZINC001460685129 1067701383 /nfs/dbraw/zinc/70/13/83/1067701383.db2.gz MMKHDURFLWCVJW-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(Br)cc3F)CC2=O)c1 ZINC001460688041 1067701614 /nfs/dbraw/zinc/70/16/14/1067701614.db2.gz GVMNCVPKYOZWAZ-CHWSQXEVSA-N 0 0 451.361 4.540 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)N(CCCc2ccccc2)c2ccccc2)C1 ZINC001460688242 1067702058 /nfs/dbraw/zinc/70/20/58/1067702058.db2.gz KJQFNPYSPHWLKD-VWLOTQADSA-N 0 0 456.586 4.970 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CCS1 ZINC001546118161 1067702279 /nfs/dbraw/zinc/70/22/79/1067702279.db2.gz YSQJZZITZRSZNP-NZQKXSOJSA-N 0 0 462.635 4.679 20 0 JJADRN CCc1ccccc1Oc1ccc(Cl)cc1CN(C)Cc1nnc(S(C)(=O)=O)s1 ZINC001460691440 1067702849 /nfs/dbraw/zinc/70/28/49/1067702849.db2.gz AKXPBRKIQVBUTE-UHFFFAOYSA-N 0 0 452.001 4.582 20 0 JJADRN COC(=O)c1cccc2c1CCN(C(=O)c1cnc(-c3ccccc3Br)s1)C2 ZINC001460693241 1067703281 /nfs/dbraw/zinc/70/32/81/1067703281.db2.gz SRBZGCGSMYRZQS-UHFFFAOYSA-N 0 0 457.349 4.558 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2cccnc2C(F)(F)F)cc1 ZINC001460702122 1067704424 /nfs/dbraw/zinc/70/44/24/1067704424.db2.gz AJYWRABKHBPUGH-IBGZPJMESA-N 0 0 451.489 4.903 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC001460699736 1067704455 /nfs/dbraw/zinc/70/44/55/1067704455.db2.gz WUIFWHQQKHWKRF-HSZRJFAPSA-N 0 0 452.576 4.513 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nc(CN(C)C)cs3)[C@H]2c2cccs2)cc1 ZINC001460702211 1067704964 /nfs/dbraw/zinc/70/49/64/1067704964.db2.gz METFJZGCFZZWPB-RXVVDRJESA-N 0 0 454.621 4.698 20 0 JJADRN COc1ccc(-c2cc(C(=O)N(Cc3cnn(C)c3)CC(C)C)c3ccccc3n2)cc1OC ZINC001460714720 1067707688 /nfs/dbraw/zinc/70/76/88/1067707688.db2.gz HXOBABAGPWOGQG-UHFFFAOYSA-N 0 0 458.562 4.951 20 0 JJADRN C[C@@H](NC(=O)CN(C)Cc1cscc1Br)c1ccc(OC(F)(F)F)cc1 ZINC001460717251 1067708119 /nfs/dbraw/zinc/70/81/19/1067708119.db2.gz QSBSAICDZQGXFG-LLVKDONJSA-N 0 0 451.308 4.718 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1nc(-c3ccc(F)c(F)c3)cs1)CC2 ZINC001460721617 1067709539 /nfs/dbraw/zinc/70/95/39/1067709539.db2.gz CUBBXZMKQMRHOD-ZDUSSCGKSA-N 0 0 459.518 4.663 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001460723596 1067709815 /nfs/dbraw/zinc/70/98/15/1067709815.db2.gz ZQAVCXOBAVKFRI-GOSISDBHSA-N 0 0 456.455 4.747 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1CCCc2ccc(Br)c(C)c21 ZINC001460723743 1067709855 /nfs/dbraw/zinc/70/98/55/1067709855.db2.gz KYTMSGFDEIXLTG-UHFFFAOYSA-N 0 0 459.384 4.646 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001460725819 1067710270 /nfs/dbraw/zinc/71/02/70/1067710270.db2.gz JLNAFRHDLXEEJG-VGSWGCGISA-N 0 0 455.986 4.964 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731481 1067711731 /nfs/dbraw/zinc/71/17/31/1067711731.db2.gz OQKWYYDTXZWQRU-FCHUYYIVSA-N 0 0 453.371 4.704 20 0 JJADRN O=C(NCCc1cccc(Br)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC001460739595 1067713039 /nfs/dbraw/zinc/71/30/39/1067713039.db2.gz ICLUOCFCNAIWDM-UHFFFAOYSA-N 0 0 456.237 4.765 20 0 JJADRN Cc1c(C(=O)NCCc2cccc(Br)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001460742333 1067713342 /nfs/dbraw/zinc/71/33/42/1067713342.db2.gz UYVKLNWJSPDHEU-UHFFFAOYSA-N 0 0 452.274 4.935 20 0 JJADRN CS(=O)(=O)c1cccc2c1N(C(=O)c1cc(-c3ccc(Cl)cc3Cl)on1)CCC2 ZINC001460741064 1067713406 /nfs/dbraw/zinc/71/34/06/1067713406.db2.gz KXMZYEFOSIVBGP-UHFFFAOYSA-N 0 0 451.331 4.645 20 0 JJADRN CCOc1ccc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001460745338 1067714096 /nfs/dbraw/zinc/71/40/96/1067714096.db2.gz OCMFIEVDFZEEKE-XZOQPEGZSA-N 0 0 456.558 4.676 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)[C@H]2CCCC[C@@H]12 ZINC001546118706 1067716021 /nfs/dbraw/zinc/71/60/21/1067716021.db2.gz LFWQLQQVUYUOLX-IBZMOEQTSA-N 0 0 450.963 4.931 20 0 JJADRN 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O=C1[C@@H](N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460760160 1067718423 /nfs/dbraw/zinc/71/84/23/1067718423.db2.gz VWOOXLJAHPIPMM-SFHVURJKSA-N 0 0 457.855 4.542 20 0 JJADRN COc1cc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc(Cl)n1 ZINC001460759823 1067718452 /nfs/dbraw/zinc/71/84/52/1067718452.db2.gz RLOABQWOAFPABI-SJORKVTESA-N 0 0 466.365 4.986 20 0 JJADRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCc2c(Cl)ccc(Br)c21 ZINC001460760993 1067718508 /nfs/dbraw/zinc/71/85/08/1067718508.db2.gz ABMJVFRSPVPOGS-ZDUSSCGKSA-N 0 0 451.748 4.697 20 0 JJADRN COc1ccc2c(ccn2CC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001460765023 1067719340 /nfs/dbraw/zinc/71/93/40/1067719340.db2.gz NETXFTTYNXVSSI-REWPJTCUSA-N 0 0 455.599 4.678 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460765218 1067719354 /nfs/dbraw/zinc/71/93/54/1067719354.db2.gz OWLXGONIFLTYQL-HKUYNNGSSA-N 0 0 452.542 4.815 20 0 JJADRN Cc1ccc2c(c1Br)N(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)CCC2 ZINC001460764927 1067719483 /nfs/dbraw/zinc/71/94/83/1067719483.db2.gz RFEIXYWQJIQHRT-UHFFFAOYSA-N 0 0 454.361 4.672 20 0 JJADRN C[C@H](C(=O)N1CCCc2c(Cl)ccc(Br)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001460763760 1067719501 /nfs/dbraw/zinc/71/95/01/1067719501.db2.gz GZKKZMIPBGYDRE-LBPRGKRZSA-N 0 0 456.789 4.589 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC001460770285 1067720192 /nfs/dbraw/zinc/72/01/92/1067720192.db2.gz YOQSOLLRHJHFCA-NFBKMPQASA-N 0 0 452.599 4.823 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1(C)C ZINC001460770882 1067720619 /nfs/dbraw/zinc/72/06/19/1067720619.db2.gz CQUVHGJCKKPFHT-HNNXBMFYSA-N 0 0 450.794 4.820 20 0 JJADRN COc1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc(OC)c1Cl ZINC001460781155 1067722576 /nfs/dbraw/zinc/72/25/76/1067722576.db2.gz MICFEHJPVAQQFL-UHFFFAOYSA-N 0 0 451.910 4.925 20 0 JJADRN C[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)N(c1nccs1)C1CCCCC1 ZINC001460782814 1067722600 /nfs/dbraw/zinc/72/26/00/1067722600.db2.gz ZYGVDQSPHWPJFH-IOMROCGXSA-N 0 0 480.600 4.850 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cnc(-c3ccc(OC)cc3)s2)c1 ZINC001460784750 1067723272 /nfs/dbraw/zinc/72/32/72/1067723272.db2.gz CGZAGJCAFBXMDG-UHFFFAOYSA-N 0 0 451.953 4.623 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC001460786535 1067723312 /nfs/dbraw/zinc/72/33/12/1067723312.db2.gz IZFIGJJPFYQDCQ-UHFFFAOYSA-N 0 0 457.935 4.743 20 0 JJADRN CC(C)(C)C[C@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC001460786676 1067723613 /nfs/dbraw/zinc/72/36/13/1067723613.db2.gz GBCZNQNLPSGLGH-ZFWWWQNUSA-N 0 0 450.295 4.880 20 0 JJADRN COc1ccc(F)cc1-c1cncc(CN2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460787320 1067723705 /nfs/dbraw/zinc/72/37/05/1067723705.db2.gz POGRLQBUBWPMNY-RTBURBONSA-N 0 0 469.479 4.784 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)OCc2cccc(Br)c2Cl)C1 ZINC001460789604 1067723991 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JPEJTWWVAVYKBC-IBGZPJMESA-N 0 0 455.580 4.685 20 0 JJADRN C[C@H](C(=O)N1CCCc2cc(Cl)cc(Br)c21)c1ccc(S(C)(=O)=O)cc1 ZINC001460817758 1067728924 /nfs/dbraw/zinc/72/89/24/1067728924.db2.gz YQDZHHUUADZHPT-LBPRGKRZSA-N 0 0 456.789 4.589 20 0 JJADRN CN(CCCN1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21)C(=O)OC(C)(C)C ZINC001460816752 1067728935 /nfs/dbraw/zinc/72/89/35/1067728935.db2.gz VMWJTVNYRGMBDK-QGZVFWFLSA-N 0 0 451.583 4.586 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460824356 1067729860 /nfs/dbraw/zinc/72/98/60/1067729860.db2.gz BCKZHPMAEAWULF-SJORKVTESA-N 0 0 458.990 4.656 20 0 JJADRN CCOC(=O)[C@@H](N[C@@H](C)c1cc(Cl)cc2c1OCC2)c1nc(Br)sc1C ZINC001460827879 1067730356 /nfs/dbraw/zinc/73/03/56/1067730356.db2.gz QZLRWBITGILXBN-VFZGTOFNSA-N 0 0 459.793 4.757 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC001460828699 1067730705 /nfs/dbraw/zinc/73/07/05/1067730705.db2.gz KCINSJFDMHDZIN-HOTGVXAUSA-N 0 0 450.486 4.521 20 0 JJADRN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)C(C)(C)CN1CCOCC1 ZINC001460828708 1067730740 /nfs/dbraw/zinc/73/07/40/1067730740.db2.gz RJHGWZKNKITVPG-UHFFFAOYSA-N 0 0 455.549 4.615 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(Cc1ccccn1)CC(C)C ZINC001460831120 1067731083 /nfs/dbraw/zinc/73/10/83/1067731083.db2.gz PCRRIJBHCCJPBM-UHFFFAOYSA-N 0 0 454.596 4.582 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N(Cc1ccccn1)CC(C)C)C[C@H](C)CC2 ZINC001460833587 1067731522 /nfs/dbraw/zinc/73/15/22/1067731522.db2.gz RMLAHPDEBZUBEK-QZTJIDSGSA-N 0 0 457.640 4.930 20 0 JJADRN CC(C)OC(=O)Cc1nc(CN2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cs1 ZINC001460835346 1067731966 /nfs/dbraw/zinc/73/19/66/1067731966.db2.gz LLPHHZXPHAAPKZ-QGZVFWFLSA-N 0 0 459.612 4.656 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)c2ccccc21 ZINC001460837479 1067732273 /nfs/dbraw/zinc/73/22/73/1067732273.db2.gz PBBJDQJMDLZHTD-QHCPKHFHSA-N 0 0 451.611 4.537 20 0 JJADRN 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CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2ccccc2)CCS1 ZINC001546120873 1067763057 /nfs/dbraw/zinc/76/30/57/1067763057.db2.gz CEGPROBRXZUEEX-BVSLBCMMSA-N 0 0 458.672 4.918 20 0 JJADRN O=C(COc1cccc(I)c1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001461022451 1067763678 /nfs/dbraw/zinc/76/36/78/1067763678.db2.gz KBJDDQRPMHJBAQ-YOEHRIQHSA-N 0 0 455.723 4.776 20 0 JJADRN COc1ccccc1[C@@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nccn1C ZINC001461025319 1067764380 /nfs/dbraw/zinc/76/43/80/1067764380.db2.gz YWDZZBWNXGMPBS-JOCHJYFZSA-N 0 0 455.484 4.572 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3ccnc(Cl)c3c2)c1 ZINC001461028547 1067764638 /nfs/dbraw/zinc/76/46/38/1067764638.db2.gz BFDLRDJCRRCKMZ-UHFFFAOYSA-N 0 0 452.363 4.824 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F ZINC001461028168 1067764659 /nfs/dbraw/zinc/76/46/59/1067764659.db2.gz XNQFUGAKRWAEQG-INIZCTEOSA-N 0 0 456.917 4.849 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccccc2)c(C)c1 ZINC001461027147 1067764675 /nfs/dbraw/zinc/76/46/75/1067764675.db2.gz RBLXJDMSQBFXDO-UHFFFAOYSA-N 0 0 452.558 4.545 20 0 JJADRN CN(CC(=O)NCc1ccccc1)C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001461027164 1067764787 /nfs/dbraw/zinc/76/47/87/1067764787.db2.gz RHNKWTSZVYARRV-UHFFFAOYSA-N 0 0 453.336 4.630 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)COc3ccc(Oc4ccc(C)cc4)cc3)nc2C1 ZINC001461033348 1067765848 /nfs/dbraw/zinc/76/58/48/1067765848.db2.gz RUVSXXFXLRJDBV-INIZCTEOSA-N 0 0 452.532 4.539 20 0 JJADRN C[C@@H](C(=O)NC1(c2cccc(Br)c2)CCCCC1)n1nnc(-c2ccccc2)n1 ZINC001461031930 1067765952 /nfs/dbraw/zinc/76/59/52/1067765952.db2.gz WIESRTIATBEGDK-INIZCTEOSA-N 0 0 454.372 4.639 20 0 JJADRN CCc1cc(NC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)nn1C ZINC001461035301 1067766563 /nfs/dbraw/zinc/76/65/63/1067766563.db2.gz CAVVJOVNUZASPQ-UHFFFAOYSA-N 0 0 450.358 4.646 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N2CCc3c2cccc3Br)CC1 ZINC001461036132 1067766671 /nfs/dbraw/zinc/76/66/71/1067766671.db2.gz JXVNNRFCXDFQIJ-UHFFFAOYSA-N 0 0 451.158 4.841 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001461035362 1067766682 /nfs/dbraw/zinc/76/66/82/1067766682.db2.gz CSTLBYXGVWLUNI-FXAWDEMLSA-N 0 0 459.359 4.565 20 0 JJADRN COc1ccc(-n2ccc(C(=O)N3CCCC[C@H]3Cc3cccc(Br)c3)n2)cc1 ZINC001461037013 1067766975 /nfs/dbraw/zinc/76/69/75/1067766975.db2.gz LYOZWIDYXHXMDG-FQEVSTJZSA-N 0 0 454.368 4.881 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1Cl ZINC001461036901 1067767041 /nfs/dbraw/zinc/76/70/41/1067767041.db2.gz HVKBCAZTDAIYFL-BQFCYCMXSA-N 0 0 454.011 4.781 20 0 JJADRN O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001461038737 1067767258 /nfs/dbraw/zinc/76/72/58/1067767258.db2.gz SJNVQEPIMOCAAN-UHFFFAOYSA-N 0 0 453.391 4.587 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461039715 1067767668 /nfs/dbraw/zinc/76/76/68/1067767668.db2.gz MESSIYALEFSELB-IIAWOOMASA-N 0 0 457.384 4.529 20 0 JJADRN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)cc2)n1 ZINC001461040552 1067767870 /nfs/dbraw/zinc/76/78/70/1067767870.db2.gz PTWGFQCRCSFDFA-UHFFFAOYSA-N 0 0 454.530 4.986 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2csc(Br)c2)CCC1 ZINC001546121030 1067768633 /nfs/dbraw/zinc/76/86/33/1067768633.db2.gz IDPWESUEZWNZKN-UHFFFAOYSA-N 0 0 466.449 4.555 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]3C)cs2)cc1 ZINC001461043436 1067768679 /nfs/dbraw/zinc/76/86/79/1067768679.db2.gz RXGJNOCYBLFSOT-BQFCYCMXSA-N 0 0 459.612 4.830 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]3C)cc2nc1CC ZINC001461045316 1067768874 /nfs/dbraw/zinc/76/88/74/1067768874.db2.gz ZZVODZQGZAJHCR-SCTDSRPQSA-N 0 0 454.615 4.766 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 ZINC001546121036 1067768903 /nfs/dbraw/zinc/76/89/03/1067768903.db2.gz IORJSYBNQLBFPR-PMACEKPBSA-N 0 0 474.671 4.650 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(-c3ccc(Br)s3)s2)s1 ZINC001461045907 1067768972 /nfs/dbraw/zinc/76/89/72/1067768972.db2.gz FKRZEDOPUIFIKO-QMMMGPOBSA-N 0 0 457.396 4.973 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001461048418 1067769192 /nfs/dbraw/zinc/76/91/92/1067769192.db2.gz GFECDRSRWLQUAT-RBUKOAKNSA-N 0 0 478.923 4.754 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccc(OCC=C(C)C)c2)C[C@H]1c1ccc(Br)cc1 ZINC001461049712 1067769664 /nfs/dbraw/zinc/76/96/64/1067769664.db2.gz JEFVGKVWULIIQB-FCHUYYIVSA-N 0 0 472.379 4.823 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC001461052988 1067770614 /nfs/dbraw/zinc/77/06/14/1067770614.db2.gz YESHAFNUERVTBO-TXFDXIRMSA-N 0 0 480.511 4.730 20 0 JJADRN COc1ccc(C(=O)NC(C)(C)c2cc(Cl)ccc2OC)cc1I ZINC001461055685 1067771440 /nfs/dbraw/zinc/77/14/40/1067771440.db2.gz RMCNLBNZVHXDRV-UHFFFAOYSA-N 0 0 459.711 4.627 20 0 JJADRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC001461058389 1067771832 /nfs/dbraw/zinc/77/18/32/1067771832.db2.gz FDAPVLPNBIYATA-JGCGQSQUSA-N 0 0 453.520 4.546 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461058998 1067772072 /nfs/dbraw/zinc/77/20/72/1067772072.db2.gz OQWYWIZNLOCAMS-REDKUUPNSA-N 0 0 456.410 4.870 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(F)cn2)CCS1 ZINC001546121240 1067773464 /nfs/dbraw/zinc/77/34/64/1067773464.db2.gz QGJKGKCOISOHRJ-UHFFFAOYSA-N 0 0 471.602 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cccc(OCC(F)(F)F)c2)C1 ZINC001461062579 1067773526 /nfs/dbraw/zinc/77/35/26/1067773526.db2.gz HMRBJSTZWPMIRT-QGZVFWFLSA-N 0 0 450.457 4.724 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccnc2)CCS1 ZINC001546121232 1067773572 /nfs/dbraw/zinc/77/35/72/1067773572.db2.gz PZHWWOCHOKHJLX-NHCUHLMSSA-N 0 0 457.688 4.946 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001461069296 1067775395 /nfs/dbraw/zinc/77/53/95/1067775395.db2.gz MCDPVLXDWXIEEU-IBGZPJMESA-N 0 0 454.567 4.725 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC001461073224 1067776391 /nfs/dbraw/zinc/77/63/91/1067776391.db2.gz XWDULJMXFLGNMC-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(Cc2nc3ccccc3[nH]2)c1)S(=O)(=O)C1CCCCC1 ZINC001461073249 1067776500 /nfs/dbraw/zinc/77/65/00/1067776500.db2.gz WOGINIDQZNVMKJ-DEOSSOPVSA-N 0 0 453.608 4.864 20 0 JJADRN COc1cc(NCc2cc(C)c(I)cc2C)ccc1N1CCCC1=O ZINC001461076257 1067776736 /nfs/dbraw/zinc/77/67/36/1067776736.db2.gz OUNALHCTWYZVIH-UHFFFAOYSA-N 0 0 450.320 4.656 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c1 ZINC001461075356 1067776745 /nfs/dbraw/zinc/77/67/45/1067776745.db2.gz FIJNFLJTHIENJA-KCJUWKMLSA-N 0 0 459.237 4.530 20 0 JJADRN CCc1c(C(=O)Nc2cc(Br)cc(C(=O)OC)c2C)cnn1Cc1ccccc1 ZINC001461078184 1067777371 /nfs/dbraw/zinc/77/73/71/1067777371.db2.gz VHNGFTZFDCDPMN-UHFFFAOYSA-N 0 0 456.340 4.604 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)C[C@@H]3c3ccccc3)CC2)cc1C ZINC001461080098 1067777593 /nfs/dbraw/zinc/77/75/93/1067777593.db2.gz NNUPORJGWBHICS-XMMPIXPASA-N 0 0 454.636 4.704 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(NC(C)=O)nc2)CCS1 ZINC001546121446 1067778034 /nfs/dbraw/zinc/77/80/34/1067778034.db2.gz YKBJSTVATMISRB-UHFFFAOYSA-N 0 0 498.628 4.510 20 0 JJADRN O=C(N(CCCn1ccnc1)c1ccc(Br)cn1)C1(Sc2ccccc2)CC1 ZINC001461086432 1067778808 /nfs/dbraw/zinc/77/88/08/1067778808.db2.gz IUBHSEBOQQMAJZ-UHFFFAOYSA-N 0 0 457.397 4.789 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001461086755 1067779140 /nfs/dbraw/zinc/77/91/40/1067779140.db2.gz RMKRQGWTTDAPOI-MRXNPFEDSA-N 0 0 459.537 4.756 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)nc1 ZINC001461086980 1067779209 /nfs/dbraw/zinc/77/92/09/1067779209.db2.gz OZDYFTMTCBTVTC-UHFFFAOYSA-N 0 0 455.356 4.701 20 0 JJADRN COCCCN(C(=O)CCc1nc(C)c(-c2ccccc2)o1)c1ccc(Br)cn1 ZINC001461088716 1067779436 /nfs/dbraw/zinc/77/94/36/1067779436.db2.gz SNCCNUDATPGMMX-UHFFFAOYSA-N 0 0 458.356 4.810 20 0 JJADRN C[C@@H](c1ccccc1)n1cc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cn1 ZINC001461090809 1067780327 /nfs/dbraw/zinc/78/03/27/1067780327.db2.gz DXTHWWPFTZHWHL-SFHVURJKSA-N 0 0 455.555 4.747 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1NC(=O)CC(C)C ZINC001461097103 1067781382 /nfs/dbraw/zinc/78/13/82/1067781382.db2.gz QBQKFUZWKNXAKJ-UHFFFAOYSA-N 0 0 453.583 4.934 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(C)cc3C)CC(C)C)C2)cc1 ZINC001461098959 1067781584 /nfs/dbraw/zinc/78/15/84/1067781584.db2.gz GKOHDSVBYYJXDZ-XMMPIXPASA-N 0 0 456.652 4.697 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3)cn2)cc1 ZINC001461101472 1067781942 /nfs/dbraw/zinc/78/19/42/1067781942.db2.gz TYKYEJFHUYTTTC-UHFFFAOYSA-N 0 0 451.498 4.968 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1 ZINC001461105131 1067782668 /nfs/dbraw/zinc/78/26/68/1067782668.db2.gz MMIGXCJJLQFMKC-UHFFFAOYSA-N 0 0 450.623 4.941 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1cc(Cl)ccc1I ZINC001461105089 1067782682 /nfs/dbraw/zinc/78/26/82/1067782682.db2.gz QHUXPTKOSNOWBR-LBPRGKRZSA-N 0 0 456.707 4.944 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001461107956 1067783408 /nfs/dbraw/zinc/78/34/08/1067783408.db2.gz NNJVPVXUGYOVNW-QFIPXVFZSA-N 0 0 455.986 4.847 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc(Cl)cc1 ZINC001461110299 1067783697 /nfs/dbraw/zinc/78/36/97/1067783697.db2.gz BVBIBTZBIMFXRE-PXNSSMCTSA-N 0 0 455.839 4.948 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cccn2ncc(Br)c12 ZINC001461115880 1067784478 /nfs/dbraw/zinc/78/44/78/1067784478.db2.gz QWKQNXZJUJEQHG-MRXNPFEDSA-N 0 0 455.209 4.751 20 0 JJADRN CCOc1cncc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)n1 ZINC001461121654 1067785368 /nfs/dbraw/zinc/78/53/68/1067785368.db2.gz LCVCHEKHYTYUAM-UHFFFAOYSA-N 0 0 450.296 4.500 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)nnc1-c1ccccc1 ZINC001461124421 1067786105 /nfs/dbraw/zinc/78/61/05/1067786105.db2.gz OVLMIVAKNDRBFZ-CEWLAPEOSA-N 0 0 456.656 4.919 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001461128208 1067786797 /nfs/dbraw/zinc/78/67/97/1067786797.db2.gz PRXQOCFCOMQENS-UHFFFAOYSA-N 0 0 450.833 4.710 20 0 JJADRN Cc1cccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)CCC2)c1 ZINC001461136000 1067787784 /nfs/dbraw/zinc/78/77/84/1067787784.db2.gz MTHJPBVLJCSTQG-NZQKXSOJSA-N 0 0 452.595 4.989 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)/C=C/c2ccccc2OCc2ccccc2)CCOCC1 ZINC001461137003 1067787817 /nfs/dbraw/zinc/78/78/17/1067787817.db2.gz MZXASUIXSGPAJJ-BUHFOSPRSA-N 0 0 451.563 4.534 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CC[C@@H](c2cccnc2)C1 ZINC001461136037 1067787899 /nfs/dbraw/zinc/78/78/99/1067787899.db2.gz SQXGZCJRHPZJDU-GFCCVEGCSA-N 0 0 450.130 4.983 20 0 JJADRN CC(C)O[C@@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001461145024 1067788515 /nfs/dbraw/zinc/78/85/15/1067788515.db2.gz ARLAALYKTTXXDE-MRXNPFEDSA-N 0 0 450.486 4.654 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001461146518 1067789181 /nfs/dbraw/zinc/78/91/81/1067789181.db2.gz DGLOKBCDPGGEDD-SFHVURJKSA-N 0 0 458.440 4.650 20 0 JJADRN CC(C)O[C@@H]1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 ZINC001461151512 1067789999 /nfs/dbraw/zinc/78/99/99/1067789999.db2.gz QZMYZSKCYVWHTN-CYBMUJFWSA-N 0 0 451.823 4.819 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(COc3cccc(F)c3)cc2)CCOCC1 ZINC001461159461 1067791406 /nfs/dbraw/zinc/79/14/06/1067791406.db2.gz IPOQRFKBQRJYBJ-UHFFFAOYSA-N 0 0 457.542 4.550 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001461170809 1067792239 /nfs/dbraw/zinc/79/22/39/1067792239.db2.gz NPKQVTYNFSAQEC-UHFFFAOYSA-N 0 0 457.172 4.667 20 0 JJADRN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC001461182530 1067794175 /nfs/dbraw/zinc/79/41/75/1067794175.db2.gz HGYSPLKJZCULJU-GUDVDZBRSA-N 0 0 451.998 4.742 20 0 JJADRN C[C@@H]1[C@@H](C)N(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)[C@@H](C)C(=O)N1C ZINC001461182531 1067794186 /nfs/dbraw/zinc/79/41/86/1067794186.db2.gz HGYSPLKJZCULJU-QRVBRYPASA-N 0 0 451.998 4.742 20 0 JJADRN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC001461182529 1067794216 /nfs/dbraw/zinc/79/42/16/1067794216.db2.gz HGYSPLKJZCULJU-CEXWTWQISA-N 0 0 451.998 4.742 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC001461182588 1067794256 /nfs/dbraw/zinc/79/42/56/1067794256.db2.gz APEANXNUWNSKQY-UHFFFAOYSA-N 0 0 459.477 4.938 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccc2OC)CCC1 ZINC001546122300 1067794601 /nfs/dbraw/zinc/79/46/01/1067794601.db2.gz GAXYNQWYPGGPSQ-UHFFFAOYSA-N 0 0 468.989 4.804 20 0 JJADRN CC(C)(CC(=O)Nc1cccc(Br)c1I)C(F)(F)F ZINC001461182917 1067794673 /nfs/dbraw/zinc/79/46/73/1067794673.db2.gz DBKAUOYDQSSXRN-UHFFFAOYSA-N 0 0 450.036 4.971 20 0 JJADRN COc1ccc([C@@H](NCc2c3c(nn2C)CCSC3)c2ccccc2)cc1Br ZINC001461190378 1067795912 /nfs/dbraw/zinc/79/59/12/1067795912.db2.gz QENCFDHICQBEDK-QFIPXVFZSA-N 0 0 458.425 4.860 20 0 JJADRN C[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461190703 1067796298 /nfs/dbraw/zinc/79/62/98/1067796298.db2.gz FAQIKACFHOTEMO-URZJWIJPSA-N 0 0 476.573 4.610 20 0 JJADRN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193829 1067796828 /nfs/dbraw/zinc/79/68/28/1067796828.db2.gz QQCWZFHQJAXWBE-PXTJIMPNSA-N 0 0 479.042 4.778 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)o1 ZINC001461194507 1067796876 /nfs/dbraw/zinc/79/68/76/1067796876.db2.gz MDBGDZHPQNCUPM-NZSAHSFTSA-N 0 0 457.567 4.990 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)c(=O)oc2c1 ZINC001461195304 1067797113 /nfs/dbraw/zinc/79/71/13/1067797113.db2.gz WRUWIFLESUGQSM-ORYQWCPZSA-N 0 0 471.594 4.551 20 0 JJADRN CC(C)[C@@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)C(=O)OC(C)(C)C ZINC001461198575 1067797799 /nfs/dbraw/zinc/79/77/99/1067797799.db2.gz VEVKDVIAQYDTPA-MRXNPFEDSA-N 0 0 454.995 4.960 20 0 JJADRN O=C1[C@H](NCc2cc(Br)ccc2Cl)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209527 1067799901 /nfs/dbraw/zinc/79/99/01/1067799901.db2.gz MHUXOMMAMVDBTO-QGZVFWFLSA-N 0 0 459.718 4.989 20 0 JJADRN C[C@@H](CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461215942 1067801006 /nfs/dbraw/zinc/80/10/06/1067801006.db2.gz XVPMMWFWBQUMPK-OKZBNKHCSA-N 0 0 455.549 4.660 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001461215946 1067801114 /nfs/dbraw/zinc/80/11/14/1067801114.db2.gz XWKUHDFLMJEAPE-UHFFFAOYSA-N 0 0 457.456 4.972 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)c1cc2cccc(Cl)c2s1 ZINC001461216607 1067801127 /nfs/dbraw/zinc/80/11/27/1067801127.db2.gz YUYKYKLZLGIIEH-UHFFFAOYSA-N 0 0 453.873 4.762 20 0 JJADRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)sc2cccc(F)c12 ZINC001461216578 1067801272 /nfs/dbraw/zinc/80/12/72/1067801272.db2.gz YBNBXDDZHSPVGM-UHFFFAOYSA-N 0 0 451.445 4.556 20 0 JJADRN CCOc1cc(CN[C@H](c2noc(C)n2)c2ccccc2OC)ccc1OCC(F)(F)F ZINC001461220454 1067802062 /nfs/dbraw/zinc/80/20/62/1067802062.db2.gz DLQNEKMGVLHVOL-FQEVSTJZSA-N 0 0 451.445 4.606 20 0 JJADRN CC(C)Oc1cncc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC001461222024 1067802643 /nfs/dbraw/zinc/80/26/43/1067802643.db2.gz IRNGLMPAHQUHGK-UHFFFAOYSA-N 0 0 455.312 4.531 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)nnc1-c1ccccc1 ZINC001461221425 1067802730 /nfs/dbraw/zinc/80/27/30/1067802730.db2.gz OIQYHAYHZASDBL-XIRDDKMYSA-N 0 0 456.534 4.624 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C[C@H]1c1ccccc1 ZINC001461222351 1067803023 /nfs/dbraw/zinc/80/30/23/1067803023.db2.gz IYRAEGFWSNBULA-ZWKOTPCHSA-N 0 0 458.345 4.516 20 0 JJADRN CSCC[C@@H](C(=O)Nc1ccc(OCCC(C)C)c(F)c1)N1C(=O)c2ccccc2C1=O ZINC001461223630 1067803587 /nfs/dbraw/zinc/80/35/87/1067803587.db2.gz QLLRYQBRVPFTLS-FQEVSTJZSA-N 0 0 458.555 4.607 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461224588 1067803971 /nfs/dbraw/zinc/80/39/71/1067803971.db2.gz YMGJSCNBVQJMPZ-UHFFFAOYSA-N 0 0 454.477 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001461227153 1067804550 /nfs/dbraw/zinc/80/45/50/1067804550.db2.gz DMVPIZGFMBTHKR-KRWDZBQOSA-N 0 0 456.505 4.769 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)CC1 ZINC001546122624 1067805829 /nfs/dbraw/zinc/80/58/29/1067805829.db2.gz RADWHEWRHSZMHS-UHFFFAOYSA-N 0 0 482.629 4.516 20 0 JJADRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC001461240427 1067807501 /nfs/dbraw/zinc/80/75/01/1067807501.db2.gz WYCWIVUVMLYDGT-HXUWFJFHSA-N 0 0 457.615 4.926 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1cc(C(F)(F)F)no1 ZINC001461243934 1067808026 /nfs/dbraw/zinc/80/80/26/1067808026.db2.gz INBMFZNLHZKXNP-JTQLQIEISA-N 0 0 452.214 4.896 20 0 JJADRN O=C(c1c(Cl)cccc1OCC1CC1)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461244778 1067808309 /nfs/dbraw/zinc/80/83/09/1067808309.db2.gz OURREEIOYLOTBT-UHFFFAOYSA-N 0 0 458.908 4.678 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001461247700 1067808899 /nfs/dbraw/zinc/80/88/99/1067808899.db2.gz QTMWZPWCWCULQH-UHFFFAOYSA-N 0 0 458.699 4.955 20 0 JJADRN O=C(COc1cccc(NCc2cccc(Br)c2OC(F)F)c1)N1CCCC1 ZINC001461248256 1067809505 /nfs/dbraw/zinc/80/95/05/1067809505.db2.gz OUYRSNNPSLNZLS-UHFFFAOYSA-N 0 0 455.299 4.664 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)[C@H]1COc2ccc(Br)cc21 ZINC001461257933 1067811873 /nfs/dbraw/zinc/81/18/73/1067811873.db2.gz YHOYIDQJVMFQLO-KRWDZBQOSA-N 0 0 457.711 4.843 20 0 JJADRN COC[C@@H](C)Oc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258055 1067812535 /nfs/dbraw/zinc/81/25/35/1067812535.db2.gz RTWXKEUIVCYMHP-CJAUYULYSA-N 0 0 457.567 4.522 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461265078 1067814221 /nfs/dbraw/zinc/81/42/21/1067814221.db2.gz IAXDGEAPUNVGCF-AWEZNQCLSA-N 0 0 459.443 4.501 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461268374 1067814628 /nfs/dbraw/zinc/81/46/28/1067814628.db2.gz SCMBYHVGZVLXOZ-OAHLLOKOSA-N 0 0 457.372 4.865 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Nc3cnn(-c4ccccc4C)c3C(F)F)CC2=O)cc1 ZINC001461268295 1067814662 /nfs/dbraw/zinc/81/46/62/1067814662.db2.gz ACRWEWQYSCFPGJ-OAHLLOKOSA-N 0 0 456.518 4.832 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N(C)c2ncc(Br)s2)cc1 ZINC001461273170 1067815722 /nfs/dbraw/zinc/81/57/22/1067815722.db2.gz PXENLKIUFUBFGE-UHFFFAOYSA-N 0 0 456.369 4.592 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461273664 1067815993 /nfs/dbraw/zinc/81/59/93/1067815993.db2.gz NFPNHEGKDWALFQ-BDKRGJGYSA-N 0 0 473.660 4.872 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001461285666 1067817957 /nfs/dbraw/zinc/81/79/57/1067817957.db2.gz MCEFLPIXUXJFBG-IYBDPMFKSA-N 0 0 456.949 4.898 20 0 JJADRN Cn1ncc(I)c1CNCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001461286719 1067818383 /nfs/dbraw/zinc/81/83/83/1067818383.db2.gz NXIYUFUTDPBAGK-UHFFFAOYSA-N 0 0 455.702 4.774 20 0 JJADRN CO[C@H](C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(Br)s1 ZINC001461289518 1067819391 /nfs/dbraw/zinc/81/93/91/1067819391.db2.gz WUMQZYCCFUSTRL-IUUKEHGRSA-N 0 0 457.365 4.590 20 0 JJADRN CO[C@@H](C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(Br)s1 ZINC001461289516 1067819509 /nfs/dbraw/zinc/81/95/09/1067819509.db2.gz WUMQZYCCFUSTRL-FTLABTOESA-N 0 0 457.365 4.590 20 0 JJADRN CCOc1ccc(Br)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1F ZINC001461291445 1067819798 /nfs/dbraw/zinc/81/97/98/1067819798.db2.gz DTYJGUXCPLYSDO-OLZOCXBDSA-N 0 0 459.356 4.505 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001461291034 1067819980 /nfs/dbraw/zinc/81/99/80/1067819980.db2.gz SWBMIEHGQIMOGW-SFYKDHMMSA-N 0 0 450.579 4.925 20 0 JJADRN C[C@H]1CN(c2ccc(NCc3ncc(Br)cc3Br)cc2)C[C@H](C)O1 ZINC001461295767 1067821027 /nfs/dbraw/zinc/82/10/27/1067821027.db2.gz UOVDFCGTDKCGNA-STQMWFEESA-N 0 0 455.194 4.832 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@H](C)C3CCC(F)(F)CC3)n2)cc(Cl)c1OC ZINC001461303305 1067823097 /nfs/dbraw/zinc/82/30/97/1067823097.db2.gz ZYPKINQDJJOBSC-GFCCVEGCSA-N 0 0 457.905 4.670 20 0 JJADRN O=C(Cc1ccc2c(c1)CCCO2)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461306533 1067823995 /nfs/dbraw/zinc/82/39/95/1067823995.db2.gz SQFWYEOTAFEMML-UHFFFAOYSA-N 0 0 456.258 4.761 20 0 JJADRN O=C(c1cccc(NCc2cc(F)ccc2Oc2cncc(Cl)c2)c1)N1CCC(O)CC1 ZINC001461308815 1067825060 /nfs/dbraw/zinc/82/50/60/1067825060.db2.gz NMRUSYPAUUPBIQ-UHFFFAOYSA-N 0 0 455.917 4.875 20 0 JJADRN O=C(c1cccc(NCc2cc(C(F)(F)F)ccc2Br)c1)N1CCC(O)CC1 ZINC001461308768 1067825135 /nfs/dbraw/zinc/82/51/35/1067825135.db2.gz LKRNRCZPKFIMGM-UHFFFAOYSA-N 0 0 457.290 4.677 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1c(I)cnn1C)C1CCC(C)CC1 ZINC001461310390 1067825613 /nfs/dbraw/zinc/82/56/13/1067825613.db2.gz ZRRVOLNKDXCTNW-RWKZGTHUSA-N 0 0 451.352 4.631 20 0 JJADRN CCOc1c(Br)cc(CNc2ccc(-n3ccnn3)cc2)cc1Br ZINC001461311397 1067825632 /nfs/dbraw/zinc/82/56/32/1067825632.db2.gz CGAIZDKMNGXDCC-UHFFFAOYSA-N 0 0 452.150 4.803 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)[C@@H](C)CO1 ZINC001461314172 1067825866 /nfs/dbraw/zinc/82/58/66/1067825866.db2.gz DQHKPWYGTKYUCP-XJKSGUPXSA-N 0 0 450.486 4.654 20 0 JJADRN COc1cc(CNc2ccc(OC3CCC3)c(F)c2)cc(I)c1OC ZINC001461313363 1067826024 /nfs/dbraw/zinc/82/60/24/1067826024.db2.gz HQPUDXHPMHEPIN-UHFFFAOYSA-N 0 0 457.283 4.991 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001461314342 1067826534 /nfs/dbraw/zinc/82/65/34/1067826534.db2.gz NQRLHIRSDNJPJI-UHFFFAOYSA-N 0 0 454.292 4.887 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@@]3(C)Cc3cccc(Cl)c3)c(C)c12 ZINC001461322619 1067827744 /nfs/dbraw/zinc/82/77/44/1067827744.db2.gz ZOXSNIASUAXVLN-VWLOTQADSA-N 0 0 455.002 4.804 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccnn3C)c3ccccc3n2)cc1 ZINC001461325612 1067828448 /nfs/dbraw/zinc/82/84/48/1067828448.db2.gz IYTHVMGXDCLTHH-DEOSSOPVSA-N 0 0 456.546 4.757 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)c1ccccc1 ZINC001461325750 1067828990 /nfs/dbraw/zinc/82/89/90/1067828990.db2.gz MCZGXXDTNFOMPB-SANMLTNESA-N 0 0 455.570 4.581 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccc(Oc2ccccc2F)c1 ZINC001461328485 1067830015 /nfs/dbraw/zinc/83/00/15/1067830015.db2.gz LJBQKDGTIAGDEG-UHFFFAOYSA-N 0 0 451.479 4.779 20 0 JJADRN CCc1[nH]nc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c1C ZINC001461330849 1067830311 /nfs/dbraw/zinc/83/03/11/1067830311.db2.gz JCFXRLNLMRYIHR-UHFFFAOYSA-N 0 0 458.946 4.581 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461329678 1067830639 /nfs/dbraw/zinc/83/06/39/1067830639.db2.gz KWAKCLHZNDIWFA-HNAYVOBHSA-N 0 0 453.421 4.842 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461334819 1067831213 /nfs/dbraw/zinc/83/12/13/1067831213.db2.gz GZDLWPJOCLDNDJ-QAPCUYQASA-N 0 0 460.365 4.743 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H](OC)c1ccc(Br)s1 ZINC001461338335 1067832412 /nfs/dbraw/zinc/83/24/12/1067832412.db2.gz BLOUXOBADQAWRB-LIRRHRJNSA-N 0 0 454.386 4.751 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H](OC)c1ccc(Br)s1 ZINC001461338325 1067832484 /nfs/dbraw/zinc/83/24/84/1067832484.db2.gz BLOUXOBADQAWRB-IFXJQAMLSA-N 0 0 454.386 4.751 20 0 JJADRN CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21)[C@H]1CCCOC1 ZINC001461338642 1067832988 /nfs/dbraw/zinc/83/29/88/1067832988.db2.gz RLMXBZBVKHJVCE-SFHVURJKSA-N 0 0 450.535 4.569 20 0 JJADRN COc1ccc(OC(F)F)c(CNCc2cn(-c3ccccc3Br)nc2C)c1 ZINC001461339581 1067833394 /nfs/dbraw/zinc/83/33/94/1067833394.db2.gz IATYCSSABKVHTA-UHFFFAOYSA-N 0 0 452.299 4.843 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)cc1I ZINC001461344371 1067834889 /nfs/dbraw/zinc/83/48/89/1067834889.db2.gz RMBMMLIFAFRMSI-UHFFFAOYSA-N 0 0 453.276 4.507 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001461348597 1067835966 /nfs/dbraw/zinc/83/59/66/1067835966.db2.gz OXWSOIBJBJEZFO-ZDUSSCGKSA-N 0 0 458.183 4.872 20 0 JJADRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)N1CCCC(F)(F)C1 ZINC001461349734 1067836009 /nfs/dbraw/zinc/83/60/09/1067836009.db2.gz XRRWYDCLIORMAL-UHFFFAOYSA-N 0 0 452.914 4.590 20 0 JJADRN NC(=O)c1[nH]nc2ccc(NCc3cc(F)ccc3Oc3ccc(Br)cc3)cc21 ZINC001461348764 1067836037 /nfs/dbraw/zinc/83/60/37/1067836037.db2.gz QIGIGBCDJDKYRE-UHFFFAOYSA-N 0 0 455.287 4.968 20 0 JJADRN O=S1(=O)CCCN1c1cc(NCc2c(F)c(Cl)ccc2Br)ccc1F ZINC001461351093 1067836277 /nfs/dbraw/zinc/83/62/77/1067836277.db2.gz CCIZKQBZZIYEOO-UHFFFAOYSA-N 0 0 451.720 4.533 20 0 JJADRN COc1cc(NC(C)=O)ccc1NCc1cc(Br)cc(Br)c1OC ZINC001461354185 1067836741 /nfs/dbraw/zinc/83/67/41/1067836741.db2.gz XLCMQWFMDFLIAE-UHFFFAOYSA-N 0 0 458.150 4.799 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001461354426 1067837179 /nfs/dbraw/zinc/83/71/79/1067837179.db2.gz LGTDKEIRNVHIRU-UHFFFAOYSA-N 0 0 455.835 4.843 20 0 JJADRN CS(=O)(=O)c1ccccc1-n1cc(NCc2ccc(Oc3cc(F)cc(F)c3)cc2)cn1 ZINC001461356077 1067837360 /nfs/dbraw/zinc/83/73/60/1067837360.db2.gz MUJJYJYEHMOKGN-UHFFFAOYSA-N 0 0 455.486 4.958 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001461357579 1067837636 /nfs/dbraw/zinc/83/76/36/1067837636.db2.gz MUGQADDVDZOBLC-GUYCJALGSA-N 0 0 458.914 4.797 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)c(Cl)c1 ZINC001461364692 1067839309 /nfs/dbraw/zinc/83/93/09/1067839309.db2.gz ZCQBUBHUCYNUDP-MRXNPFEDSA-N 0 0 454.914 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c(F)ccc(Br)c2F)C12CCCC2 ZINC001461365707 1067839472 /nfs/dbraw/zinc/83/94/72/1067839472.db2.gz UCWDGZBBQNRMEQ-CQSZACIVSA-N 0 0 459.331 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)o2)CC1 ZINC001461371535 1067840678 /nfs/dbraw/zinc/84/06/78/1067840678.db2.gz SMMDWSAPLVJKDT-RUZDIDTESA-N 0 0 457.546 4.732 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001461377003 1067841431 /nfs/dbraw/zinc/84/14/31/1067841431.db2.gz MXPOQPPMCUKWSI-PGRDOPGGSA-N 0 0 456.608 4.996 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)/C=C\c2ccc(I)o2)cc1 ZINC001461376823 1067841570 /nfs/dbraw/zinc/84/15/70/1067841570.db2.gz QDERVUQDLDKRQJ-UILAEWCASA-N 0 0 451.304 4.530 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(F)ccc2I)cc1 ZINC001461377484 1067841820 /nfs/dbraw/zinc/84/18/20/1067841820.db2.gz HEVMGEVRDFMWIM-INIZCTEOSA-N 0 0 453.295 4.676 20 0 JJADRN Cc1cc(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)nn1-c1cc(C)cc(C)c1 ZINC001461378975 1067841941 /nfs/dbraw/zinc/84/19/41/1067841941.db2.gz HGWWDRCOZHFUTR-UHFFFAOYSA-N 0 0 455.002 4.774 20 0 JJADRN CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)[C@@H](CC)CO1 ZINC001461384593 1067843739 /nfs/dbraw/zinc/84/37/39/1067843739.db2.gz ZGQUGSFANWPDIB-LSDHHAIUSA-N 0 0 457.427 4.780 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](CC)OC[C@@H]2CC)c1 ZINC001461384576 1067843805 /nfs/dbraw/zinc/84/38/05/1067843805.db2.gz ZFBHLJSPDSBUGY-GMAHTHKFSA-N 0 0 458.624 4.712 20 0 JJADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461385722 1067844213 /nfs/dbraw/zinc/84/42/13/1067844213.db2.gz MCMGTYOYEYAABH-JXALWOEJSA-N 0 0 458.624 4.598 20 0 JJADRN O=C(Oc1cccc(OC2CC2)c1)c1cccc(Br)c1I ZINC001461386671 1067844660 /nfs/dbraw/zinc/84/46/60/1067844660.db2.gz COKISGLBQFCEOO-UHFFFAOYSA-N 0 0 459.077 4.814 20 0 JJADRN COCc1ccc(NC(=O)c2ccc(F)c(I)c2)cc1C(F)(F)F ZINC001461392257 1067844898 /nfs/dbraw/zinc/84/48/98/1067844898.db2.gz NNPMFNPYOWIZSS-UHFFFAOYSA-N 0 0 453.173 4.848 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1)c1ccccc1 ZINC001461388829 1067845055 /nfs/dbraw/zinc/84/50/55/1067845055.db2.gz YSXPJAKXAKMUKI-VQTJNVASSA-N 0 0 456.542 4.967 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N3C[C@@H](NC(=O)OC(C)(C)C)CCc4ccccc43)cc21 ZINC001461395447 1067845401 /nfs/dbraw/zinc/84/54/01/1067845401.db2.gz CRPLFXVGOPCYNW-SFHVURJKSA-N 0 0 450.539 4.833 20 0 JJADRN COc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc2c1O[C@@H](C)C2 ZINC001461396418 1067845899 /nfs/dbraw/zinc/84/58/99/1067845899.db2.gz HHXSDYGFQWNHDX-OXJNMPFZSA-N 0 0 452.551 4.505 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)CC1 ZINC001461397901 1067846244 /nfs/dbraw/zinc/84/62/44/1067846244.db2.gz PGOJFSSOUHXQMJ-MNLRITNHSA-N 0 0 458.599 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)c2cnc(-c3cccnc3)s2)C1 ZINC001461399478 1067846320 /nfs/dbraw/zinc/84/63/20/1067846320.db2.gz TUPHYPLPNLJWIB-SFHVURJKSA-N 0 0 450.564 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC001461400922 1067846619 /nfs/dbraw/zinc/84/66/19/1067846619.db2.gz POYAWVBWFCDRIK-QGZVFWFLSA-N 0 0 458.942 4.598 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCc4ccc(C(C)C)cc4C3)cc2)c1C ZINC001461403300 1067847240 /nfs/dbraw/zinc/84/72/40/1067847240.db2.gz BRUHYKNIVCPYEE-UHFFFAOYSA-N 0 0 459.590 4.917 20 0 JJADRN Cc1ccc(CC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c(Br)c1 ZINC001461406949 1067848158 /nfs/dbraw/zinc/84/81/58/1067848158.db2.gz HMFCVSYPKOXIOR-SFHVURJKSA-N 0 0 453.174 4.663 20 0 JJADRN CCCO[C@@H](C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1C ZINC001461410119 1067848645 /nfs/dbraw/zinc/84/86/45/1067848645.db2.gz KAKSJCRQTQPTMG-NHCUHLMSSA-N 0 0 450.348 4.964 20 0 JJADRN CCN(CC)CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1ccc(Cl)cc1 ZINC001461409523 1067848664 /nfs/dbraw/zinc/84/86/64/1067848664.db2.gz JLSKFVOKMBXEFF-UHFFFAOYSA-N 0 0 457.423 4.776 20 0 JJADRN O=C(O[C@H](c1ccc(Br)cc1Cl)C(F)(F)F)c1cc2n(n1)CCCC2=O ZINC001461412478 1067849553 /nfs/dbraw/zinc/84/95/53/1067849553.db2.gz OHHAADJVEGHPNK-CQSZACIVSA-N 0 0 451.626 4.736 20 0 JJADRN COCCOCc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001461415892 1067850708 /nfs/dbraw/zinc/85/07/08/1067850708.db2.gz KZMKJOWACDWLIU-HSZRJFAPSA-N 0 0 451.485 4.986 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001461416602 1067850800 /nfs/dbraw/zinc/85/08/00/1067850800.db2.gz PFROFMQGDCRPLD-GAJHUEQPSA-N 0 0 454.533 4.984 20 0 JJADRN COc1cc(CN[C@@H](CO)c2cnn(C)c2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461416245 1067850932 /nfs/dbraw/zinc/85/09/32/1067850932.db2.gz ZVPXSAHHNOWGLF-DEOSSOPVSA-N 0 0 451.611 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NCc2cccc(OC3CC3)c2F)(c2ccccc2)C1 ZINC001461417491 1067851311 /nfs/dbraw/zinc/85/13/11/1067851311.db2.gz VDNDHULHZQOTSM-KQODVJPSSA-N 0 0 454.542 4.608 20 0 JJADRN O=C(Nc1ccc(I)cc1F)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001461420139 1067852196 /nfs/dbraw/zinc/85/21/96/1067852196.db2.gz BOFBRELZPZHECM-UHFFFAOYSA-N 0 0 450.038 4.637 20 0 JJADRN Cc1cc(Br)c(Cl)cc1NC(=O)c1cncc(I)c1 ZINC001461420089 1067852305 /nfs/dbraw/zinc/85/23/05/1067852305.db2.gz AXEYBENLPJQCHP-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)C(F)(F)c2ccccc2Br)C2CCC2)C1 ZINC001461419936 1067852387 /nfs/dbraw/zinc/85/23/87/1067852387.db2.gz ZJNOSUMYJOXKKA-UHFFFAOYSA-N 0 0 459.331 4.541 20 0 JJADRN CC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)[C@@H]3C)cn2)CC1 ZINC001461429767 1067853905 /nfs/dbraw/zinc/85/39/05/1067853905.db2.gz FKWWKFKKRFPDBD-HTAPYJJXSA-N 0 0 458.400 4.683 20 0 JJADRN COCCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC001461438786 1067856772 /nfs/dbraw/zinc/85/67/72/1067856772.db2.gz ZMLVIPBWRMNRIL-UHFFFAOYSA-N 0 0 454.375 4.963 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNCc3nc(C(F)(F)F)n4c3CCCC4)cc2C1 ZINC001461438882 1067856909 /nfs/dbraw/zinc/85/69/09/1067856909.db2.gz YMPOUGHFAXHNGS-UHFFFAOYSA-N 0 0 450.505 4.779 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)CC[C@@H](C)CC1 ZINC001461440730 1067857245 /nfs/dbraw/zinc/85/72/45/1067857245.db2.gz KBRITVLPQUZROB-MRAWUWRDSA-N 0 0 452.382 4.577 20 0 JJADRN COC(=O)[C@@]1(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H](C)CC1 ZINC001461446792 1067858672 /nfs/dbraw/zinc/85/86/72/1067858672.db2.gz YAKJEDFFIOHZAU-DFFLPILJSA-N 0 0 450.988 4.855 20 0 JJADRN O=C(c1cc2ccccc2c(Cl)n1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448168 1067859187 /nfs/dbraw/zinc/85/91/87/1067859187.db2.gz OOSLCONZIYXYKP-CRAIPNDOSA-N 0 0 453.892 4.684 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448807 1067859443 /nfs/dbraw/zinc/85/94/43/1067859443.db2.gz QRWLOTPLLBMDCL-UONOGXRCSA-N 0 0 459.921 4.745 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cn1 ZINC001461457980 1067861279 /nfs/dbraw/zinc/86/12/79/1067861279.db2.gz UIQQKMOAUQFXEX-SFHVURJKSA-N 0 0 451.340 4.966 20 0 JJADRN COc1ccc(CN(CC(F)(F)F)C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1 ZINC001461459589 1067861724 /nfs/dbraw/zinc/86/17/24/1067861724.db2.gz BSMVFFKBIHYCAG-UHFFFAOYSA-N 0 0 458.864 4.506 20 0 JJADRN COC(=O)c1nc(CNC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)ccc1Cl ZINC001461458112 1067861880 /nfs/dbraw/zinc/86/18/80/1067861880.db2.gz AZQANZKOUHAJPO-UHFFFAOYSA-N 0 0 454.697 4.722 20 0 JJADRN CCOc1cc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1OCC(F)(F)F ZINC001461461811 1067862304 /nfs/dbraw/zinc/86/23/04/1067862304.db2.gz HOLDREMNLODAAI-UHFFFAOYSA-N 0 0 450.379 4.931 20 0 JJADRN Fc1c(Br)ccc(CNCc2cnn(-c3ccc(Br)cc3)c2)c1F ZINC001461464045 1067863088 /nfs/dbraw/zinc/86/30/88/1067863088.db2.gz QBJDRJWIFMVJFE-UHFFFAOYSA-N 0 0 457.116 4.965 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)(C)CC2)CCOCC1 ZINC001546124569 1067863368 /nfs/dbraw/zinc/86/33/68/1067863368.db2.gz ZVSJAUSKSHUATD-UHFFFAOYSA-N 0 0 474.049 4.695 20 0 JJADRN Oc1ccc(Br)c(CNCc2ccc(I)c(Cl)c2)c1 ZINC001461465266 1067863746 /nfs/dbraw/zinc/86/37/46/1067863746.db2.gz QTXWTEYMEYUAPS-UHFFFAOYSA-N 0 0 452.517 4.703 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461467635 1067864489 /nfs/dbraw/zinc/86/44/89/1067864489.db2.gz MTHOPDKXWWFCQV-WUMKDDEVSA-N 0 0 470.585 4.683 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(C(F)F)nc2)cc1F ZINC001461468571 1067864821 /nfs/dbraw/zinc/86/48/21/1067864821.db2.gz AEDAKLKOJLJBJE-LPHOPBHVSA-N 0 0 479.499 4.690 20 0 JJADRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1ccn(-c2ccc(F)cc2F)n1 ZINC001461468335 1067864842 /nfs/dbraw/zinc/86/48/42/1067864842.db2.gz FYYPSROQMRUNGB-UHFFFAOYSA-N 0 0 451.380 4.940 20 0 JJADRN Fc1cc(Br)c(I)cc1CN[C@H](C1CC1)C(F)(F)F ZINC001461545753 1067885630 /nfs/dbraw/zinc/88/56/30/1067885630.db2.gz AZYHHZCPMPZDFE-LLVKDONJSA-N 0 0 452.027 4.623 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1F ZINC001461469520 1067865344 /nfs/dbraw/zinc/86/53/44/1067865344.db2.gz GQQJAOUNJHAMDD-HUUJSLGLSA-N 0 0 474.598 4.909 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cnc(C(C)C)s2)cc1F ZINC001461469595 1067865412 /nfs/dbraw/zinc/86/54/12/1067865412.db2.gz HYNBJXZXLLVSNQ-WMZOPIPTSA-N 0 0 477.602 4.937 20 0 JJADRN CCOC(=O)[C@](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)(C1CCC1)C(F)(F)F ZINC001461471390 1067866129 /nfs/dbraw/zinc/86/61/29/1067866129.db2.gz HECXWBOIDDVEDJ-OAQYLSRUSA-N 0 0 454.514 4.750 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc(F)c2F)cc1F ZINC001461473376 1067866956 /nfs/dbraw/zinc/86/69/56/1067866956.db2.gz UKVHFMLVTIWMQW-KXBFYZLASA-N 0 0 464.484 4.636 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnnc(-c3ccccc3)c2)C1 ZINC001461473084 1067866993 /nfs/dbraw/zinc/86/69/93/1067866993.db2.gz RAKRHZWDLKBQFE-ISKFKSNPSA-N 0 0 476.552 4.806 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001461475269 1067868055 /nfs/dbraw/zinc/86/80/55/1067868055.db2.gz ZKZOLSXHLHTFTF-UYAOXDASSA-N 0 0 471.573 4.852 20 0 JJADRN O=C(N[C@H]1CSCc2ccc(Br)cc21)C1(c2ccc(F)cc2)CCOCC1 ZINC001461476379 1067868549 /nfs/dbraw/zinc/86/85/49/1067868549.db2.gz SSHQNKGJFXJNJH-IBGZPJMESA-N 0 0 450.373 4.741 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC001461476642 1067868911 /nfs/dbraw/zinc/86/89/11/1067868911.db2.gz DQJMEJYZSUHHJB-AWEZNQCLSA-N 0 0 455.486 4.991 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)CCC1 ZINC001461476674 1067868958 /nfs/dbraw/zinc/86/89/58/1067868958.db2.gz VKBLIVVZCIMPJF-INIZCTEOSA-N 0 0 455.418 4.691 20 0 JJADRN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)CCO1 ZINC001461478501 1067869701 /nfs/dbraw/zinc/86/97/01/1067869701.db2.gz QXXFZHLGJABGPM-IGABQKFOSA-N 0 0 474.642 4.890 20 0 JJADRN Cc1ccc(NCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1N1C(=O)CNC1=O ZINC001461478206 1067869746 /nfs/dbraw/zinc/86/97/46/1067869746.db2.gz FSAKMELLJPNVRK-UHFFFAOYSA-N 0 0 451.958 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc3c(c2)OC(C)(C)C3)C1 ZINC001461478968 1067870139 /nfs/dbraw/zinc/87/01/39/1067870139.db2.gz PIYKFAFJUKNICM-FGZHOGPDSA-N 0 0 450.579 4.923 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC001461480584 1067870416 /nfs/dbraw/zinc/87/04/16/1067870416.db2.gz VOTDVPQKEGPRDK-TZIWHRDSSA-N 0 0 462.512 4.946 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(Br)c(F)c1C ZINC001461483706 1067871535 /nfs/dbraw/zinc/87/15/35/1067871535.db2.gz BVRCQFMNURJOCN-UHFFFAOYSA-N 0 0 459.109 4.879 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 ZINC001461486063 1067872728 /nfs/dbraw/zinc/87/27/28/1067872728.db2.gz UFACZQMSYCXURQ-UHFFFAOYSA-N 0 0 450.583 4.736 20 0 JJADRN Cc1cc(C)cc(-c2ccc(CNc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)c1 ZINC001461486535 1067872742 /nfs/dbraw/zinc/87/27/42/1067872742.db2.gz WMQBQEMLFODMGC-UHFFFAOYSA-N 0 0 450.604 4.912 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1sc(-c2ccc(C)cc2)nc1C)c1ccccc1Br ZINC001461486807 1067872768 /nfs/dbraw/zinc/87/27/68/1067872768.db2.gz ULAHGPAZWGMALR-KRWDZBQOSA-N 0 0 459.365 4.834 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CNCc1cccc(OCC(F)(F)F)n1 ZINC001461487176 1067873180 /nfs/dbraw/zinc/87/31/80/1067873180.db2.gz JGICVNWRXUPVNJ-UHFFFAOYSA-N 0 0 455.278 4.569 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001461489763 1067874019 /nfs/dbraw/zinc/87/40/19/1067874019.db2.gz HZPOBFIPDNVTGI-QGZVFWFLSA-N 0 0 459.612 4.673 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1ccc(C(=O)N2CCOCC2)cc1 ZINC001461492808 1067874940 /nfs/dbraw/zinc/87/49/40/1067874940.db2.gz GXWRLLMIZWKLEP-UHFFFAOYSA-N 0 0 459.377 4.631 20 0 JJADRN COc1ccc(NCc2cc(Cl)ccc2OCC2CC2)cc1S(=O)(=O)N1CCCC1 ZINC001461493544 1067875483 /nfs/dbraw/zinc/87/54/83/1067875483.db2.gz UUOZMVDBNZTAKK-UHFFFAOYSA-N 0 0 450.988 4.534 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001461495292 1067875753 /nfs/dbraw/zinc/87/57/53/1067875753.db2.gz NJBHXHVTAHIFJD-CQSZACIVSA-N 0 0 455.273 4.922 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c2ccccc2)cc1 ZINC001461495926 1067875770 /nfs/dbraw/zinc/87/57/70/1067875770.db2.gz NLZVBWXSJJXXBO-AREMUKBSSA-N 0 0 459.473 4.886 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(Br)c(OC)c(OC)c2)c2ccccc2)cc1 ZINC001461498220 1067877042 /nfs/dbraw/zinc/87/70/42/1067877042.db2.gz YJZMKSYDPNHAJD-NRFANRHFSA-N 0 0 456.336 4.994 20 0 JJADRN CCOc1cc(CNc2ccc3c(c2)N(CC(F)F)C(=O)CS3)ccc1OC(=O)CC ZINC001461500234 1067877257 /nfs/dbraw/zinc/87/72/57/1067877257.db2.gz GWYWUKZGOOYEOB-UHFFFAOYSA-N 0 0 450.507 4.717 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@@]3(C)Cc3ccccc3Cl)nn2C)cc1OC ZINC001461501942 1067877826 /nfs/dbraw/zinc/87/78/26/1067877826.db2.gz FXDYSXILXCLWPO-VWLOTQADSA-N 0 0 453.970 4.995 20 0 JJADRN CCOc1cc(C(=O)N(Cc2ccsc2)C(C)(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461504286 1067878398 /nfs/dbraw/zinc/87/83/98/1067878398.db2.gz ZJMZQWMBMHXJHN-UHFFFAOYSA-N 0 0 458.624 4.979 20 0 JJADRN C[C@](CO)(NCc1ccc(F)cc1I)c1cc(Cl)cc(Cl)c1 ZINC001461508944 1067878808 /nfs/dbraw/zinc/87/88/08/1067878808.db2.gz WGXRQCVKMLRMEG-MRXNPFEDSA-N 0 0 454.110 4.734 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461509477 1067879177 /nfs/dbraw/zinc/87/91/77/1067879177.db2.gz NBESRDVSBPHVEM-RTWAWAEBSA-N 0 0 458.578 4.654 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC001461522863 1067881153 /nfs/dbraw/zinc/88/11/53/1067881153.db2.gz MURSKKIRJFCAHR-JLTOFOAXSA-N 0 0 458.400 4.653 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC001461534060 1067883288 /nfs/dbraw/zinc/88/32/88/1067883288.db2.gz AXWIQKCKKIYIEC-FQEVSTJZSA-N 0 0 456.012 4.713 20 0 JJADRN CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)C[C@H]1C(F)(F)F ZINC001461537549 1067884277 /nfs/dbraw/zinc/88/42/77/1067884277.db2.gz IYHUWYNMSWRXJP-OLMNPRSZSA-N 0 0 477.957 4.607 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)CC(=O)N2C(C)(C)C)cn1 ZINC001461539632 1067884331 /nfs/dbraw/zinc/88/43/31/1067884331.db2.gz HWKUEUOWEVOGJV-SZTDCBRRSA-N 0 0 480.609 4.805 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CO1 ZINC001461542071 1067884731 /nfs/dbraw/zinc/88/47/31/1067884731.db2.gz KFHIOTLBBSNLRE-JTHBVZDNSA-N 0 0 454.998 4.789 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CO1 ZINC001461542046 1067884752 /nfs/dbraw/zinc/88/47/52/1067884752.db2.gz KFHIOTLBBSNLRE-FYYLOGMGSA-N 0 0 454.998 4.789 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001461549292 1067886072 /nfs/dbraw/zinc/88/60/72/1067886072.db2.gz JGVPBQPTYYSRRL-UHFFFAOYSA-N 0 0 450.970 4.956 20 0 JJADRN Cc1c(NCc2cc(C(F)(F)F)ccc2Br)cccc1N1C(=O)N[C@H](C)C1=O ZINC001461551079 1067886546 /nfs/dbraw/zinc/88/65/46/1067886546.db2.gz LYHSLTTZSUQLKT-LLVKDONJSA-N 0 0 456.262 4.833 20 0 JJADRN Cn1ncc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1Cl ZINC001461558873 1067888186 /nfs/dbraw/zinc/88/81/86/1067888186.db2.gz MODSQHDEFIEJCK-UHFFFAOYSA-N 0 0 452.849 4.654 20 0 JJADRN C/C(=C/c1ccccc1OC(F)F)CNc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C ZINC001461563848 1067888942 /nfs/dbraw/zinc/88/89/42/1067888942.db2.gz FIXQIFFJCFVZNK-VBKFSLOCSA-N 0 0 454.539 4.841 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(NCc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@@H](C)O1 ZINC001461563321 1067889460 /nfs/dbraw/zinc/88/94/60/1067889460.db2.gz GPLFVLKCKSOJOA-RTBURBONSA-N 0 0 453.583 4.573 20 0 JJADRN Cn1cnnc1NCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC001461565179 1067889964 /nfs/dbraw/zinc/88/99/64/1067889964.db2.gz SUZKEBPFCILDAS-UHFFFAOYSA-N 0 0 452.150 4.531 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc1)CO2 ZINC001461567778 1067890152 /nfs/dbraw/zinc/89/01/52/1067890152.db2.gz DZSHSXASKPIGNC-GMAHTHKFSA-N 0 0 452.551 4.727 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1F ZINC001461568391 1067890925 /nfs/dbraw/zinc/89/09/25/1067890925.db2.gz KGVXIZIPYDEPDC-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)nn1 ZINC001461571600 1067891195 /nfs/dbraw/zinc/89/11/95/1067891195.db2.gz QKYKQEPAXGLUFH-UHFFFAOYSA-N 0 0 456.593 4.946 20 0 JJADRN COC(=O)[C@](C)(CCF)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001461576143 1067892233 /nfs/dbraw/zinc/89/22/33/1067892233.db2.gz UIIFIXLBYGPQPI-QFIPXVFZSA-N 0 0 459.315 4.685 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2c3ccccc3C(C)(C)[C@@H]2C)cc1 ZINC001461576214 1067892320 /nfs/dbraw/zinc/89/23/20/1067892320.db2.gz UTNMDNKOJBXXMY-KRWDZBQOSA-N 0 0 454.592 4.638 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCS(=O)CC2)CCC1 ZINC001546125497 1067893453 /nfs/dbraw/zinc/89/34/53/1067893453.db2.gz FYLIHAPVPBBNNR-SFHVURJKSA-N 0 0 465.063 4.837 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001461580626 1067893581 /nfs/dbraw/zinc/89/35/81/1067893581.db2.gz WCSCAHSEVMYXBK-GOSISDBHSA-N 0 0 458.990 4.555 20 0 JJADRN O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1c(Cl)nccc1C(F)(F)F ZINC001461583055 1067893862 /nfs/dbraw/zinc/89/38/62/1067893862.db2.gz QHHNTWFYRBOIPX-SFHVURJKSA-N 0 0 459.855 4.881 20 0 JJADRN Fc1cncc(Br)c1CNCc1cc(Cl)cc(I)c1 ZINC001461591103 1067895748 /nfs/dbraw/zinc/89/57/48/1067895748.db2.gz HNUQYOXENQBEKC-UHFFFAOYSA-N 0 0 455.496 4.531 20 0 JJADRN Cc1nn(C)c2nc(Cl)c(CNCc3c(F)c(F)c(Br)c(F)c3F)cc12 ZINC001461591474 1067895997 /nfs/dbraw/zinc/89/59/97/1067895997.db2.gz OEZKIQAJITXAKB-UHFFFAOYSA-N 0 0 451.649 4.539 20 0 JJADRN COc1ccc(Br)cc1C1(NCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC001461591621 1067896026 /nfs/dbraw/zinc/89/60/26/1067896026.db2.gz CUVYGOARYBJOBC-UHFFFAOYSA-N 0 0 451.727 4.610 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)C2)c1 ZINC001461595229 1067897133 /nfs/dbraw/zinc/89/71/33/1067897133.db2.gz KCSDTYLZSGECLM-HSZRJFAPSA-N 0 0 454.368 4.506 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)C2)c1 ZINC001461595230 1067897160 /nfs/dbraw/zinc/89/71/60/1067897160.db2.gz KCSDTYLZSGECLM-QHCPKHFHSA-N 0 0 454.368 4.506 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001461596109 1067897690 /nfs/dbraw/zinc/89/76/90/1067897690.db2.gz OAPSYFQYQOUSEK-QHCPKHFHSA-N 0 0 459.924 4.872 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461598507 1067898028 /nfs/dbraw/zinc/89/80/28/1067898028.db2.gz QCKFFDGGWJCUGC-KRWDZBQOSA-N 0 0 457.137 4.873 20 0 JJADRN COc1cccc([C@@]2(C)CCN(C(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)C2)c1 ZINC001461597945 1067898038 /nfs/dbraw/zinc/89/80/38/1067898038.db2.gz BOJSVQWUVAZAQY-YTMVLYRLSA-N 0 0 458.602 4.722 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)c1cccc(OC)c1 ZINC001461597688 1067898112 /nfs/dbraw/zinc/89/81/12/1067898112.db2.gz NETDKVVGLJONJD-MHZLTWQESA-N 0 0 454.526 4.792 20 0 JJADRN O=C(c1ccc(Oc2ccccc2F)nc1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461598519 1067898772 /nfs/dbraw/zinc/89/87/72/1067898772.db2.gz QFJNUCUCVQLICE-LJQANCHMSA-N 0 0 457.299 4.989 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cc2C1=O ZINC001461600429 1067899076 /nfs/dbraw/zinc/89/90/76/1067899076.db2.gz KZPYBKVUPDBLJO-UHFFFAOYSA-N 0 0 452.395 4.866 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)C12CCC2 ZINC001461603171 1067899525 /nfs/dbraw/zinc/89/95/25/1067899525.db2.gz UOJCCKWRBZBKSK-AFAFQCSPSA-N 0 0 459.030 4.977 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001461608206 1067900811 /nfs/dbraw/zinc/90/08/11/1067900811.db2.gz MQCPYLXFRLDHHS-JTHBVZDNSA-N 0 0 450.485 4.625 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](C)(C(=O)NC)C2)CCCC1 ZINC001546125707 1067901598 /nfs/dbraw/zinc/90/15/98/1067901598.db2.gz JRRBFCMWMJWTDA-RLWLMLJZSA-N 0 0 467.658 4.968 20 0 JJADRN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cnc2c(F)cccc2c1 ZINC001461613616 1067902272 /nfs/dbraw/zinc/90/22/72/1067902272.db2.gz RVYPSZFDPLPUQJ-UHFFFAOYSA-N 0 0 458.603 4.863 20 0 JJADRN COc1ccc(OCc2nc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)cs2)cc1 ZINC001461629605 1067905598 /nfs/dbraw/zinc/90/55/98/1067905598.db2.gz PNKBQPOYBXUXEZ-HXUWFJFHSA-N 0 0 459.612 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC001461633065 1067905974 /nfs/dbraw/zinc/90/59/74/1067905974.db2.gz XJCLZQNRHAAJTP-CXAGYDPISA-N 0 0 455.368 4.668 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)no1 ZINC001461635280 1067906523 /nfs/dbraw/zinc/90/65/23/1067906523.db2.gz AJDWBXBLUMAVEI-UHFFFAOYSA-N 0 0 452.511 4.835 20 0 JJADRN COc1ccc(C(=O)C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1Cl ZINC001461636979 1067906808 /nfs/dbraw/zinc/90/68/08/1067906808.db2.gz VZKDLONJFZKVFM-UHFFFAOYSA-N 0 0 458.942 4.535 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)cc1F ZINC001461636362 1067906921 /nfs/dbraw/zinc/90/69/21/1067906921.db2.gz AOTJLWMUNQHUKN-QZTJIDSGSA-N 0 0 451.494 4.763 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC001461637373 1067907361 /nfs/dbraw/zinc/90/73/61/1067907361.db2.gz KLDQWKSJRFCOOL-UHFFFAOYSA-N 0 0 452.292 4.915 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1Cl ZINC001461639596 1067907656 /nfs/dbraw/zinc/90/76/56/1067907656.db2.gz QHBNWYJRQOOBJR-CQSZACIVSA-N 0 0 459.333 4.548 20 0 JJADRN CCOCCOc1ccc(Br)cc1CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001461647581 1067908864 /nfs/dbraw/zinc/90/88/64/1067908864.db2.gz IIFKDIGVSATMKI-HXUWFJFHSA-N 0 0 456.384 4.827 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC001461646336 1067908982 /nfs/dbraw/zinc/90/89/82/1067908982.db2.gz CNVUPHPLMBQNPJ-HLLBOEOZSA-N 0 0 457.621 4.759 20 0 JJADRN C[C@H]1CCC[C@@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)O1 ZINC001461646675 1067908998 /nfs/dbraw/zinc/90/89/98/1067908998.db2.gz DZNIHHORPJGVRF-AAEUAGOBSA-N 0 0 451.823 4.867 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC001461646337 1067909006 /nfs/dbraw/zinc/90/90/06/1067909006.db2.gz CNVUPHPLMBQNPJ-INMHGKMJSA-N 0 0 457.621 4.759 20 0 JJADRN C[C@@H]1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461652386 1067910503 /nfs/dbraw/zinc/91/05/03/1067910503.db2.gz PPPBOUUIFYVYHL-RQJJNDFQSA-N 0 0 477.690 4.784 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001461654785 1067910949 /nfs/dbraw/zinc/91/09/49/1067910949.db2.gz AROCURWXWLQMIW-AZUAARDMSA-N 0 0 469.630 4.890 20 0 JJADRN C[C@H](NC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)c1cc(F)c(Br)cc1F ZINC001461658668 1067911763 /nfs/dbraw/zinc/91/17/63/1067911763.db2.gz PRKAJFGFOHAVPY-IDOXEUFTSA-N 0 0 459.331 4.837 20 0 JJADRN C[C@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)c1cc(F)c(Br)cc1F ZINC001461659453 1067912111 /nfs/dbraw/zinc/91/21/11/1067912111.db2.gz SIPPJFFLKGQSSX-ZDUSSCGKSA-N 0 0 455.299 4.563 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)CCN1C(=O)OC(C)(C)C ZINC001461660967 1067912553 /nfs/dbraw/zinc/91/25/53/1067912553.db2.gz WZZJABOWFAIBNZ-ZWKOTPCHSA-N 0 0 450.004 4.910 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CCCC(C)(C)C1 ZINC001461661963 1067912857 /nfs/dbraw/zinc/91/28/57/1067912857.db2.gz GYYNETCTQZSDGU-OAQYLSRUSA-N 0 0 455.338 4.802 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N(Cc2ccccc2F)CC2CC2)[C@@H]1c1ccc(OC)cc1 ZINC001461664737 1067913386 /nfs/dbraw/zinc/91/33/86/1067913386.db2.gz KJSHDQPFTXETKO-BVAGGSTKSA-N 0 0 452.570 4.963 20 0 JJADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCC=C(c3ccccc3)C2)CCOCC1 ZINC001546126117 1067914283 /nfs/dbraw/zinc/91/42/83/1067914283.db2.gz RCTAJCJRPPEYAG-OAQYLSRUSA-N 0 0 454.615 4.503 20 0 JJADRN OC[C@H]1CCN(c2ccc(NCc3cccc(F)c3Br)cc2Br)C1 ZINC001461668791 1067914739 /nfs/dbraw/zinc/91/47/39/1067914739.db2.gz NUJNITLXLBZWRB-LBPRGKRZSA-N 0 0 458.169 4.781 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1 ZINC001461676534 1067915982 /nfs/dbraw/zinc/91/59/82/1067915982.db2.gz FWEPFSZCWBJCCC-SFHVURJKSA-N 0 0 459.974 4.700 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 ZINC001461679039 1067916823 /nfs/dbraw/zinc/91/68/23/1067916823.db2.gz UKKUAPCPYBFVCO-LJQANCHMSA-N 0 0 452.501 4.653 20 0 JJADRN Cc1cc2nc(NC(=O)c3ccc(NC(=O)CSc4cccs4)cc3)cc(Cl)n2n1 ZINC001461680746 1067916859 /nfs/dbraw/zinc/91/68/59/1067916859.db2.gz BZHKBRZDXFSRLF-UHFFFAOYSA-N 0 0 457.968 4.736 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@H](C(F)F)C2CCCCC2)nnc1-c1ccccc1 ZINC001461681807 1067917348 /nfs/dbraw/zinc/91/73/48/1067917348.db2.gz NICDHWCVFRRWCD-BEFAXECRSA-N 0 0 452.571 4.575 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1 ZINC001461682886 1067917804 /nfs/dbraw/zinc/91/78/04/1067917804.db2.gz FFYUGAJVDNJPEF-IEGUWTFLSA-N 0 0 477.026 4.505 20 0 JJADRN CC(C)c1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC001461684577 1067917902 /nfs/dbraw/zinc/91/79/02/1067917902.db2.gz IPCOTXMIJFOZBF-UHFFFAOYSA-N 0 0 459.793 4.729 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CCOCC1 ZINC001546126303 1067918710 /nfs/dbraw/zinc/91/87/10/1067918710.db2.gz UVLGJAJSWZUOQB-OALUTQOASA-N 0 0 492.064 4.595 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2ccon2)CCOCC1 ZINC001546126338 1067920381 /nfs/dbraw/zinc/92/03/81/1067920381.db2.gz VCYUVCOMNJBEHQ-FQEVSTJZSA-N 0 0 453.587 4.866 20 0 JJADRN C[C@@H]1c2ccccc2OCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001461704722 1067922320 /nfs/dbraw/zinc/92/23/20/1067922320.db2.gz IQVSWUXGXQNKDO-UZLBHIALSA-N 0 0 450.457 4.606 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001461707022 1067922710 /nfs/dbraw/zinc/92/27/10/1067922710.db2.gz UFXGCAPBKHYMQX-QFIPXVFZSA-N 0 0 451.954 4.666 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cn2)cc1S(=O)(=O)NC1CCCC1 ZINC001461712702 1067923118 /nfs/dbraw/zinc/92/31/18/1067923118.db2.gz IDXGGJQDQYVJPE-UHFFFAOYSA-N 0 0 450.564 4.607 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc3cc(OC)c(OC)cc3c2)nnc1-c1cccs1 ZINC001461717929 1067924378 /nfs/dbraw/zinc/92/43/78/1067924378.db2.gz HCEZTQOIPCTIMP-UHFFFAOYSA-N 0 0 454.577 4.928 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)o1 ZINC001461718372 1067924908 /nfs/dbraw/zinc/92/49/08/1067924908.db2.gz WTGJDQUUTIVMEH-QYQIINSRSA-N 0 0 453.535 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(C2(C)CC2)ns1)c1ccc(C(F)(F)F)cc1 ZINC001461721982 1067925460 /nfs/dbraw/zinc/92/54/60/1067925460.db2.gz HOGROHHPHHGPHT-CYBMUJFWSA-N 0 0 456.490 4.813 20 0 JJADRN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC001461722029 1067925471 /nfs/dbraw/zinc/92/54/71/1067925471.db2.gz MFAQTESPWFBZTK-OAQYLSRUSA-N 0 0 451.588 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc(C2(C)CC2)ns1)c1ccc(C(F)(F)F)cc1 ZINC001461721984 1067925550 /nfs/dbraw/zinc/92/55/50/1067925550.db2.gz HOGROHHPHHGPHT-ZDUSSCGKSA-N 0 0 456.490 4.813 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CCOC)CCOCC1 ZINC001546126580 1067926341 /nfs/dbraw/zinc/92/63/41/1067926341.db2.gz ZHHWYELALNVCHN-IBGZPJMESA-N 0 0 465.038 4.978 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC001461724595 1067926379 /nfs/dbraw/zinc/92/63/79/1067926379.db2.gz XNPUZYUOXVJOGQ-CQSZACIVSA-N 0 0 459.333 4.744 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001461726532 1067926663 /nfs/dbraw/zinc/92/66/63/1067926663.db2.gz VERXCEUMELJDHP-HSZRJFAPSA-N 0 0 459.443 4.628 20 0 JJADRN CCN(CC)c1ccc(S(N)(=O)=O)cc1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001461726874 1067926670 /nfs/dbraw/zinc/92/66/70/1067926670.db2.gz DWXBMXOTRNMYTN-UHFFFAOYSA-N 0 0 457.571 4.510 20 0 JJADRN COCCN(CC(=O)N1CCC[C@]1(C)Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001461728338 1067926994 /nfs/dbraw/zinc/92/69/94/1067926994.db2.gz YHASWPODIIXDLM-JOCHJYFZSA-N 0 0 458.521 4.513 20 0 JJADRN CCOc1cc(CNc2nc3cc(C)ccc3n2CC)ccc1OCC(=O)N1CCCCC1 ZINC001461732441 1067927267 /nfs/dbraw/zinc/92/72/67/1067927267.db2.gz VXGVCRIOWKPUDU-UHFFFAOYSA-N 0 0 450.583 4.767 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)c21 ZINC001461735644 1067927324 /nfs/dbraw/zinc/92/73/24/1067927324.db2.gz MBVFYBJQLWBTRJ-DEOSSOPVSA-N 0 0 454.527 4.736 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)s2)cc1 ZINC001461735631 1067927399 /nfs/dbraw/zinc/92/73/99/1067927399.db2.gz MBDNIPJFZXATJJ-DEOSSOPVSA-N 0 0 459.612 4.901 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)N1CCc2ccc(F)c(Br)c2C1 ZINC001461738782 1067928123 /nfs/dbraw/zinc/92/81/23/1067928123.db2.gz JGMOWDYELUWWJG-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001461740203 1067928565 /nfs/dbraw/zinc/92/85/65/1067928565.db2.gz ZXRQVNXCBRJKFX-NOTUOJBMSA-N 0 0 450.579 4.885 20 0 JJADRN CCO[C@@H](C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21)C(C)C ZINC001461741294 1067928883 /nfs/dbraw/zinc/92/88/83/1067928883.db2.gz FGKLGQVVENBCSQ-XMMPIXPASA-N 0 0 450.579 4.765 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](OC)c2cccc(OC)c2)c1 ZINC001461743741 1067929228 /nfs/dbraw/zinc/92/92/28/1067929228.db2.gz HVJKJYQRKOHRNQ-RUZDIDTESA-N 0 0 457.530 4.674 20 0 JJADRN Cc1c(C(=O)Nc2nnc(/C=C\c3ccco3)s2)cnn1-c1cccc(Br)c1 ZINC001461742412 1067929260 /nfs/dbraw/zinc/92/92/60/1067929260.db2.gz XANZLLNCUSYGEX-FPLPWBNLSA-N 0 0 456.325 4.810 20 0 JJADRN COc1c(Br)cccc1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001461747892 1067929917 /nfs/dbraw/zinc/92/99/17/1067929917.db2.gz YPMVPDFUJXCHGO-UHFFFAOYSA-N 0 0 453.402 4.635 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)c12 ZINC001461751625 1067930680 /nfs/dbraw/zinc/93/06/80/1067930680.db2.gz JULGGNNIKADBQZ-UHFFFAOYSA-N 0 0 450.583 4.774 20 0 JJADRN NC(=O)c1cc(NCc2ccc3c(c2)CCO3)ccc1OCc1cccc(Br)c1 ZINC001461754959 1067931059 /nfs/dbraw/zinc/93/10/59/1067931059.db2.gz ONOYBIVJRJRYAR-UHFFFAOYSA-N 0 0 453.336 4.674 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(Br)c[nH]c2=O)c1 ZINC001546126849 1067931347 /nfs/dbraw/zinc/93/13/47/1067931347.db2.gz GEHOQZQZOBZLFD-TZIWHRDSSA-N 0 0 453.336 4.929 20 0 JJADRN CSc1cc(Br)ccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001461757087 1067931425 /nfs/dbraw/zinc/93/14/25/1067931425.db2.gz UANWWTOUUYMTJW-UHFFFAOYSA-N 0 0 455.443 4.958 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(Br)c[nH]c2=O)c1 ZINC001546126846 1067931510 /nfs/dbraw/zinc/93/15/10/1067931510.db2.gz GEHOQZQZOBZLFD-CTNGQTDRSA-N 0 0 453.336 4.929 20 0 JJADRN CC1(C)C[C@@]1(CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001461758940 1067931817 /nfs/dbraw/zinc/93/18/17/1067931817.db2.gz MRHIANZSYNBALU-HYBUGGRVSA-N 0 0 455.396 4.538 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1F ZINC001461758282 1067931837 /nfs/dbraw/zinc/93/18/37/1067931837.db2.gz XWRVVFPKIRWQJG-OAHLLOKOSA-N 0 0 459.153 4.867 20 0 JJADRN CC1(C)C[C@]1(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001461758941 1067931866 /nfs/dbraw/zinc/93/18/66/1067931866.db2.gz MRHIANZSYNBALU-RDPSFJRHSA-N 0 0 455.396 4.538 20 0 JJADRN CC[C@H](c1ccccc1)N(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C(C)C ZINC001461766270 1067932569 /nfs/dbraw/zinc/93/25/69/1067932569.db2.gz VRVSJIBVWDSQQV-JOCHJYFZSA-N 0 0 458.624 4.918 20 0 JJADRN Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC001461766020 1067932581 /nfs/dbraw/zinc/93/25/81/1067932581.db2.gz IMITWZSHUGIBRU-FQEVSTJZSA-N 0 0 455.345 4.754 20 0 JJADRN COc1cc(CN[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc(OC)c1OCC(F)F ZINC001461763876 1067932714 /nfs/dbraw/zinc/93/27/14/1067932714.db2.gz CMXSOZOZXZKFCA-FQEVSTJZSA-N 0 0 455.473 4.659 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1NC(=O)OC(C)(C)C ZINC001461770165 1067933414 /nfs/dbraw/zinc/93/34/14/1067933414.db2.gz KHXUPHSIOCARES-HXUWFJFHSA-N 0 0 451.567 4.762 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)c(C)c3)c2)o1 ZINC001461769325 1067933437 /nfs/dbraw/zinc/93/34/37/1067933437.db2.gz JAXDLGUHKNLAEA-UHFFFAOYSA-N 0 0 452.511 4.833 20 0 JJADRN Cc1c(C(=O)N(C)c2ccccc2Br)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001461770820 1067933441 /nfs/dbraw/zinc/93/34/41/1067933441.db2.gz UJLHSYZYVUGZBJ-UHFFFAOYSA-N 0 0 453.262 4.693 20 0 JJADRN CN(C(=O)c1cc(F)c(F)cc1I)c1ccccc1Br ZINC001461771130 1067933911 /nfs/dbraw/zinc/93/39/11/1067933911.db2.gz XBERKXZDIVYCKU-UHFFFAOYSA-N 0 0 452.036 4.609 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC001461772335 1067934178 /nfs/dbraw/zinc/93/41/78/1067934178.db2.gz YSVAYCBMCNCTAM-CQSZACIVSA-N 0 0 456.203 4.922 20 0 JJADRN COc1cc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c(Cl)cc1Br ZINC001461772309 1067934303 /nfs/dbraw/zinc/93/43/03/1067934303.db2.gz HUJHIUNLKUEDKJ-WYRIXSBYSA-N 0 0 459.768 4.839 20 0 JJADRN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001461773339 1067934581 /nfs/dbraw/zinc/93/45/81/1067934581.db2.gz RRYSEHWMJHBIFU-UHFFFAOYSA-N 0 0 453.505 4.780 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001461773490 1067934876 /nfs/dbraw/zinc/93/48/76/1067934876.db2.gz DOSOMEFFYQUKQR-KRWDZBQOSA-N 0 0 459.370 4.503 20 0 JJADRN Cc1ccc(I)c(C(=O)N2Cc3ccc(C)c(Br)c3C2)c1 ZINC001461776032 1067935233 /nfs/dbraw/zinc/93/52/33/1067935233.db2.gz GZOUFDUYUMOBOE-UHFFFAOYSA-N 0 0 456.121 4.827 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001461780869 1067936016 /nfs/dbraw/zinc/93/60/16/1067936016.db2.gz SFASDSSRBFPYQX-SFHVURJKSA-N 0 0 452.725 4.819 20 0 JJADRN CCOc1ccccc1OCCCC(=O)N(C)[C@@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC001461780908 1067936035 /nfs/dbraw/zinc/93/60/35/1067936035.db2.gz TZGFSFMOLSSOMD-OAQYLSRUSA-N 0 0 454.350 4.924 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3Cc4ccc(C)c(Br)c4C3)CC2=O)cc1 ZINC001461780119 1067936152 /nfs/dbraw/zinc/93/61/52/1067936152.db2.gz VQFNYOVWGFZYLL-IBGZPJMESA-N 0 0 455.396 4.995 20 0 JJADRN NC(=O)c1c[nH]nc1NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 ZINC001461782415 1067936452 /nfs/dbraw/zinc/93/64/52/1067936452.db2.gz KGKZIZBSPAWMMM-UHFFFAOYSA-N 0 0 456.127 4.982 20 0 JJADRN COc1cc(CNc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c(SC)cc1OC ZINC001461785021 1067936862 /nfs/dbraw/zinc/93/68/62/1067936862.db2.gz YKTJPLNLZFZSSN-UHFFFAOYSA-N 0 0 456.530 4.889 20 0 JJADRN Cc1ccc2nc(C3CC3)cc(C(=O)NCCc3ccc(I)cc3)c2c1 ZINC001461784727 1067936881 /nfs/dbraw/zinc/93/68/81/1067936881.db2.gz HPIDDAHVZKGUHT-UHFFFAOYSA-N 0 0 456.327 4.998 20 0 JJADRN O=C(NCC(C1CCC1)C1CCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001461788119 1067937207 /nfs/dbraw/zinc/93/72/07/1067937207.db2.gz RECFYXJIWMVANS-UHFFFAOYSA-N 0 0 453.048 4.851 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Oc3ccc4cccnc4c3Br)c21 ZINC001461788765 1067937651 /nfs/dbraw/zinc/93/76/51/1067937651.db2.gz ILFJELUAPUMNOI-UHFFFAOYSA-N 0 0 451.202 4.517 20 0 JJADRN COc1ccc(Br)cc1OC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC001461795336 1067938163 /nfs/dbraw/zinc/93/81/63/1067938163.db2.gz OVLCAAONJDQQBM-UHFFFAOYSA-N 0 0 458.337 4.840 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC001461795562 1067938279 /nfs/dbraw/zinc/93/82/79/1067938279.db2.gz BVEOKCJGTHELKE-NRFANRHFSA-N 0 0 453.468 4.832 20 0 JJADRN NC(=O)c1cccc2c1CCN(C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C2 ZINC001461798706 1067938694 /nfs/dbraw/zinc/93/86/94/1067938694.db2.gz OUZSBXFWQXZADW-JOCHJYFZSA-N 0 0 455.341 4.797 20 0 JJADRN Cc1cc(NCc2c(Cl)n(Cc3ccccc3)nc2C(C)C)ccc1N1CCOCC1=O ZINC001461797344 1067938699 /nfs/dbraw/zinc/93/86/99/1067938699.db2.gz PSPKLZCRVMIFPP-UHFFFAOYSA-N 0 0 452.986 4.992 20 0 JJADRN CC(=O)c1ccc(C(=O)N2CCc3cc(Br)c(Br)cc3C2)cc1C ZINC001461804098 1067939742 /nfs/dbraw/zinc/93/97/42/1067939742.db2.gz KVJLEIWTHLOYFD-UHFFFAOYSA-N 0 0 451.158 4.921 20 0 JJADRN COc1ccc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1-c1ccccc1 ZINC001461804881 1067939767 /nfs/dbraw/zinc/93/97/67/1067939767.db2.gz NHOPBUCQFZWXTD-IBGZPJMESA-N 0 0 452.473 4.890 20 0 JJADRN CN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805173 1067940154 /nfs/dbraw/zinc/94/01/54/1067940154.db2.gz OFZCHFMKYWXSLR-JGGQBBKZSA-N 0 0 452.876 4.887 20 0 JJADRN CC(C)Oc1cccnc1C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC001461805417 1067940158 /nfs/dbraw/zinc/94/01/58/1067940158.db2.gz RIZDPVWVJWUNKN-UHFFFAOYSA-N 0 0 454.162 4.592 20 0 JJADRN CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805177 1067940215 /nfs/dbraw/zinc/94/02/15/1067940215.db2.gz OFZCHFMKYWXSLR-XPKDYRNWSA-N 0 0 452.876 4.887 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCc1cc(C(F)(F)F)n(C)n1 ZINC001461813149 1067940935 /nfs/dbraw/zinc/94/09/35/1067940935.db2.gz UTOBZSWTQDIZQB-UHFFFAOYSA-N 0 0 451.802 4.895 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001461838849 1067944529 /nfs/dbraw/zinc/94/45/29/1067944529.db2.gz QFBSKFJMUKACGO-UHFFFAOYSA-N 0 0 454.514 4.544 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cc2)C1 ZINC001461839035 1067944592 /nfs/dbraw/zinc/94/45/92/1067944592.db2.gz LPDDGAKUHJVXRR-ZIAGYGMSSA-N 0 0 458.477 4.763 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CCCC1 ZINC001546127682 1067944656 /nfs/dbraw/zinc/94/46/56/1067944656.db2.gz AIPNANXWDLIWML-IAGOWNOFSA-N 0 0 497.503 4.936 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(-c4ccncc4)ccc3OC)CC2)cs1 ZINC001461840068 1067944845 /nfs/dbraw/zinc/94/48/45/1067944845.db2.gz BUCZBCUKCSRJMH-IBGZPJMESA-N 0 0 452.624 4.629 20 0 JJADRN COc1cc(Cl)c(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)cc1OC ZINC001461842038 1067945313 /nfs/dbraw/zinc/94/53/13/1067945313.db2.gz DNSZINAGZLLQLZ-OAHLLOKOSA-N 0 0 453.808 4.999 20 0 JJADRN O=C(Nc1cc(Br)cc(Br)c1)c1cc(N2CCOC2=O)ccc1F ZINC001461843172 1067945339 /nfs/dbraw/zinc/94/53/39/1067945339.db2.gz JBCCXDUFKZBKEL-UHFFFAOYSA-N 0 0 458.081 4.560 20 0 JJADRN COc1ccc(-n2ccc(C(=O)Nc3cc(Br)cc(Br)c3)n2)cc1 ZINC001461845750 1067945874 /nfs/dbraw/zinc/94/58/74/1067945874.db2.gz PPNILMZKVQODKF-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cccc(NC(=O)C3CCCCC3)c1)C2 ZINC001461847064 1067946233 /nfs/dbraw/zinc/94/62/33/1067946233.db2.gz VKAWWEVNHJHASL-FNZWTVRRSA-N 0 0 455.599 4.725 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC001461848313 1067946241 /nfs/dbraw/zinc/94/62/41/1067946241.db2.gz VLTWTIWITBJXBV-GOSISDBHSA-N 0 0 450.402 4.608 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cccc(NC(=O)C3CCCCC3)c1)C2 ZINC001461847070 1067946311 /nfs/dbraw/zinc/94/63/11/1067946311.db2.gz VKAWWEVNHJHASL-FQRUVTKNSA-N 0 0 455.599 4.725 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461850837 1067946744 /nfs/dbraw/zinc/94/67/44/1067946744.db2.gz GHLZJAJBQCCSIC-INIZCTEOSA-N 0 0 456.365 4.673 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2scc(Br)c2c1 ZINC001461849981 1067946759 /nfs/dbraw/zinc/94/67/59/1067946759.db2.gz FMAZPZYAPVJXEC-OKILXGFUSA-N 0 0 451.386 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001461854468 1067947704 /nfs/dbraw/zinc/94/77/04/1067947704.db2.gz XLQPJXCULXZKGA-KDURUIRLSA-N 0 0 458.505 4.768 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c1 ZINC001461858932 1067948843 /nfs/dbraw/zinc/94/88/43/1067948843.db2.gz UJYCBJIFVWIIOJ-UHFFFAOYSA-N 0 0 457.534 4.560 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC001461859599 1067949255 /nfs/dbraw/zinc/94/92/55/1067949255.db2.gz YHRDYBMITFSEGV-UHFFFAOYSA-N 0 0 453.313 4.577 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)OCc2ccc(O[C@@H]3CCOC3)cc2)c2ccccc2)cc1 ZINC001461862836 1067949787 /nfs/dbraw/zinc/94/97/87/1067949787.db2.gz BMJNTDWRCUGGRV-CLJLJLNGSA-N 0 0 459.542 4.767 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)OCc3ccc(O[C@H]4CCOC4)cc3)CC2(Cl)Cl)cc1 ZINC001461865263 1067950100 /nfs/dbraw/zinc/95/01/00/1067950100.db2.gz FLWOGQJRGSYROJ-RBBKRZOGSA-N 0 0 451.346 4.812 20 0 JJADRN C[C@H]1c2ccccc2CN1C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001461865168 1067950387 /nfs/dbraw/zinc/95/03/87/1067950387.db2.gz GDQYYUKUHFTDOA-SFHVURJKSA-N 0 0 454.979 4.634 20 0 JJADRN CN(Cc1sc(N2CCOCC2)nc1Cl)CC1(c2ccc(Br)cc2)CC1 ZINC001461868733 1067950866 /nfs/dbraw/zinc/95/08/66/1067950866.db2.gz PAIWGHNSYBYNFU-UHFFFAOYSA-N 0 0 456.837 4.559 20 0 JJADRN CN(Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H](CO)c1cccc(Br)c1 ZINC001461870666 1067951299 /nfs/dbraw/zinc/95/12/99/1067951299.db2.gz HJYPXAZHCCQDBC-QGZVFWFLSA-N 0 0 456.171 4.502 20 0 JJADRN COc1cc(Br)cc(C(=O)N2[C@@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461872087 1067952138 /nfs/dbraw/zinc/95/21/38/1067952138.db2.gz ZMRBZMFCXULSSE-ZQIUZPCESA-N 0 0 455.393 4.612 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2[C@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001461879153 1067953252 /nfs/dbraw/zinc/95/32/52/1067953252.db2.gz VHXZVBGXBGXSAK-JQVVWYNYSA-N 0 0 459.631 4.713 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)Cc2ccc(Br)c(F)c2)[C@H]1C ZINC001461879213 1067953265 /nfs/dbraw/zinc/95/32/65/1067953265.db2.gz VRZIQJLVHVHISW-IJEWVQPXSA-N 0 0 457.384 4.671 20 0 JJADRN Cc1ccc(Br)c(COC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c1 ZINC001461883529 1067954091 /nfs/dbraw/zinc/95/40/91/1067954091.db2.gz PYPXFKRCWRJVSF-UHFFFAOYSA-N 0 0 458.209 4.853 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(OCc4ccccc4)cc3)CCC(=O)N2C)cc1 ZINC001461884797 1067954472 /nfs/dbraw/zinc/95/44/72/1067954472.db2.gz SJJNAQJUTSCHTK-BDYUSTAISA-N 0 0 458.558 4.500 20 0 JJADRN CCOc1cc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461893852 1067956221 /nfs/dbraw/zinc/95/62/21/1067956221.db2.gz CFBHJBGIMUROCC-OAHLLOKOSA-N 0 0 457.409 4.632 20 0 JJADRN COc1ccc(CN(Cc2c(CNC(=O)OC(C)(C)C)cnn2C)Cc2ccccc2)cc1 ZINC001461893525 1067956257 /nfs/dbraw/zinc/95/62/57/1067956257.db2.gz DXEUGNPSCROFPN-UHFFFAOYSA-N 0 0 450.583 4.656 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001461894243 1067956597 /nfs/dbraw/zinc/95/65/97/1067956597.db2.gz AZCABCMVUFUCMZ-OAQYLSRUSA-N 0 0 450.894 4.646 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)c1 ZINC001461900004 1067957515 /nfs/dbraw/zinc/95/75/15/1067957515.db2.gz LNOMTXHNZIKHQO-UHFFFAOYSA-N 0 0 459.631 4.762 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461901262 1067958042 /nfs/dbraw/zinc/95/80/42/1067958042.db2.gz DAPAKMJTGBXXCX-ZHODDXKCSA-N 0 0 450.982 4.631 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)c1 ZINC001461904339 1067958582 /nfs/dbraw/zinc/95/85/82/1067958582.db2.gz VMHUEHDWKJRBBP-UHFFFAOYSA-N 0 0 459.631 4.906 20 0 JJADRN O=C(/C=C\COc1ccccc1)Nc1cc(Br)cc(I)c1 ZINC001461905414 1067958756 /nfs/dbraw/zinc/95/87/56/1067958756.db2.gz VJCHKFHTXYQUMZ-DAXSKMNVSA-N 0 0 458.093 4.627 20 0 JJADRN CN(Cc1c(F)ccc(C2OCCO2)c1Cl)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001461904768 1067958884 /nfs/dbraw/zinc/95/88/84/1067958884.db2.gz BYHRROQNMKIZHQ-XYPWUTKMSA-N 0 0 454.970 4.887 20 0 JJADRN NC(=O)N1CCCN(Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001461907345 1067959283 /nfs/dbraw/zinc/95/92/83/1067959283.db2.gz CYODEJKPTLCBKR-UHFFFAOYSA-N 0 0 456.743 4.620 20 0 JJADRN Cc1cccc(C(=O)NC2CCN(C(=O)c3cc4cc(C)cc(Br)c4o3)CC2)c1 ZINC001461911206 1067959599 /nfs/dbraw/zinc/95/95/99/1067959599.db2.gz YCKVGLAIURDQPV-UHFFFAOYSA-N 0 0 455.352 4.847 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC001461908493 1067959776 /nfs/dbraw/zinc/95/97/76/1067959776.db2.gz LSXWEGWLLOQMGP-UHFFFAOYSA-N 0 0 451.567 4.909 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC001461912056 1067960018 /nfs/dbraw/zinc/96/00/18/1067960018.db2.gz PSPRTFQACYSKFC-UHFFFAOYSA-N 0 0 455.990 4.653 20 0 JJADRN CC(C)(C)OC(=O)NC1(CCN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913330 1067960030 /nfs/dbraw/zinc/96/00/30/1067960030.db2.gz UKBHGOPBOPFZPK-IBGZPJMESA-N 0 0 459.414 4.831 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001461920030 1067961128 /nfs/dbraw/zinc/96/11/28/1067961128.db2.gz SHRRKRZZXRYYDE-CLFYSBASSA-N 0 0 450.888 4.927 20 0 JJADRN Cc1oc(-c2cccs2)nc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001461917973 1067961139 /nfs/dbraw/zinc/96/11/39/1067961139.db2.gz IFIXTAXECWKHIP-UHFFFAOYSA-N 0 0 450.377 4.931 20 0 JJADRN COc1ccc(OC(=O)c2cnn(Cc3ccccc3)c2Br)cc1C(F)(F)F ZINC001461920558 1067961455 /nfs/dbraw/zinc/96/14/55/1067961455.db2.gz MBRKGEOFZTXJOV-UHFFFAOYSA-N 0 0 455.230 4.941 20 0 JJADRN O=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001461923478 1067961879 /nfs/dbraw/zinc/96/18/79/1067961879.db2.gz XJHCZUHZGAHPDX-UHFFFAOYSA-N 0 0 454.401 4.542 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccsc1CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001461924720 1067962327 /nfs/dbraw/zinc/96/23/27/1067962327.db2.gz DVLLKGSGVGEFLU-UHFFFAOYSA-N 0 0 450.004 4.635 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)cc1Cl ZINC001461932417 1067963624 /nfs/dbraw/zinc/96/36/24/1067963624.db2.gz BNRHUCMAOLAUHA-GFCCVEGCSA-N 0 0 455.784 4.531 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461934943 1067964141 /nfs/dbraw/zinc/96/41/41/1067964141.db2.gz SEKRNXLTHNIBNL-RTOPAQNCSA-N 0 0 456.505 4.578 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)nn1-c1ccccc1F ZINC001461941273 1067965276 /nfs/dbraw/zinc/96/52/76/1067965276.db2.gz PULMXMQMSSNTSJ-HNNXBMFYSA-N 0 0 457.937 4.661 20 0 JJADRN CC(C)n1ncc2cc(C(=O)Nc3cc(F)c(Cl)cc3I)cnc21 ZINC001461943225 1067965566 /nfs/dbraw/zinc/96/55/66/1067965566.db2.gz BQBIBPFYFZMFOF-UHFFFAOYSA-N 0 0 458.662 4.662 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(F)c(Cl)cc2I)C1 ZINC001461947749 1067966765 /nfs/dbraw/zinc/96/67/65/1067966765.db2.gz VGEMQACKNNQRAN-VHSXEESVSA-N 0 0 467.706 4.780 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461948136 1067967200 /nfs/dbraw/zinc/96/72/00/1067967200.db2.gz ROETWEDXQXINQX-SZPZYZBQSA-N 0 0 451.405 4.731 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461952959 1067967897 /nfs/dbraw/zinc/96/78/97/1067967897.db2.gz OPDNMTKBGQZZTD-GFCCVEGCSA-N 0 0 455.337 4.922 20 0 JJADRN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(COc2ccccc2)c1 ZINC001461956788 1067968818 /nfs/dbraw/zinc/96/88/18/1067968818.db2.gz TYZUEYFJDUYIGR-UHFFFAOYSA-N 0 0 459.590 4.563 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001461958597 1067969231 /nfs/dbraw/zinc/96/92/31/1067969231.db2.gz YDSZVRNRAKWRGY-AZUAARDMSA-N 0 0 452.423 4.508 20 0 JJADRN FC(F)C(F)(F)CN1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461958633 1067969374 /nfs/dbraw/zinc/96/93/74/1067969374.db2.gz CIFJSUAIKUQXEF-UHFFFAOYSA-N 0 0 452.315 4.591 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2cc(Br)cc(I)c2C)c(C)n1 ZINC001461964256 1067970533 /nfs/dbraw/zinc/97/05/33/1067970533.db2.gz ARGGYHRBQYQDOX-UHFFFAOYSA-N 0 0 459.125 4.935 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001461968342 1067971580 /nfs/dbraw/zinc/97/15/80/1067971580.db2.gz ZNMHSSSDFCQPLD-UHFFFAOYSA-N 0 0 457.299 4.739 20 0 JJADRN CC1(C)CN(C(=O)c2ccccc2I)c2c1cccc2Br ZINC001461973049 1067972591 /nfs/dbraw/zinc/97/25/91/1067972591.db2.gz PJUZMBZPFBBNNF-UHFFFAOYSA-N 0 0 456.121 4.992 20 0 JJADRN CN(C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H](CCc1ccccc1)C(F)F ZINC001461975763 1067973040 /nfs/dbraw/zinc/97/30/40/1067973040.db2.gz NTKSQMOYZWTRQO-INIZCTEOSA-N 0 0 456.390 4.764 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1cnc2c(C)cc(Br)cn12)C1CC1 ZINC001461976440 1067973502 /nfs/dbraw/zinc/97/35/02/1067973502.db2.gz QXAOKVKJQPLXRW-OAQYLSRUSA-N 0 0 456.384 4.544 20 0 JJADRN CCN(C1CCN(Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)CC1)S(C)(=O)=O ZINC001461978686 1067973956 /nfs/dbraw/zinc/97/39/56/1067973956.db2.gz XHDXDOLCVCFWAE-UHFFFAOYSA-N 0 0 454.995 4.826 20 0 JJADRN CCCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC ZINC001461979362 1067974078 /nfs/dbraw/zinc/97/40/78/1067974078.db2.gz CTYFFLZCDVYNRJ-UHFFFAOYSA-N 0 0 453.564 4.696 20 0 JJADRN COC[C@H](C)N(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCc2ccccc21 ZINC001461980969 1067974455 /nfs/dbraw/zinc/97/44/55/1067974455.db2.gz WTRNYKSGMBASJG-XOBRGWDASA-N 0 0 456.336 4.720 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C2CC2)cn1 ZINC001461984688 1067974813 /nfs/dbraw/zinc/97/48/13/1067974813.db2.gz YQFDMPAYKVLYCO-NRFANRHFSA-N 0 0 454.324 4.921 20 0 JJADRN C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC001461987574 1067975875 /nfs/dbraw/zinc/97/58/75/1067975875.db2.gz BUSCOSGDBSUYQL-AOMKIAJQSA-N 0 0 474.342 4.948 20 0 JJADRN Brc1cnc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c(Br)c1 ZINC001462005793 1067978577 /nfs/dbraw/zinc/97/85/77/1067978577.db2.gz ACCLFPRJYQLUJN-UHFFFAOYSA-N 0 0 450.178 4.863 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1 ZINC001462011520 1067980113 /nfs/dbraw/zinc/98/01/13/1067980113.db2.gz QJOSETIRIFHLNY-RBUKOAKNSA-N 0 0 453.336 4.983 20 0 JJADRN O=C(c1cccc(Br)c1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001462012609 1067980468 /nfs/dbraw/zinc/98/04/68/1067980468.db2.gz PTPLKTPAXKRFQW-UHFFFAOYSA-N 0 0 451.158 4.920 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001462014783 1067980813 /nfs/dbraw/zinc/98/08/13/1067980813.db2.gz LDSJKKPOCMFUDD-KRWDZBQOSA-N 0 0 450.410 4.818 20 0 JJADRN O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001462015545 1067981410 /nfs/dbraw/zinc/98/14/10/1067981410.db2.gz VGHSFROBMIHNHG-UHFFFAOYSA-N 0 0 451.247 4.989 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCc2ccsc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001462017545 1067981846 /nfs/dbraw/zinc/98/18/46/1067981846.db2.gz ATMUACWEKZGZQD-ABAIWWIYSA-N 0 0 451.297 4.910 20 0 JJADRN Cc1cc(C(=O)NCc2ccsc2C(F)(F)F)cc(C)c1OCC(=O)N1CCCCC1 ZINC001462018000 1067981888 /nfs/dbraw/zinc/98/18/88/1067981888.db2.gz DJSXTUSPWPHCLL-UHFFFAOYSA-N 0 0 454.514 4.705 20 0 JJADRN CC(C)(C)OC1CCC(NC(=O)CCCOc2ccc(I)cc2)CC1 ZINC001462022271 1067982883 /nfs/dbraw/zinc/98/28/83/1067982883.db2.gz JPHCBTGQOUFWLO-UHFFFAOYSA-N 0 0 459.368 4.693 20 0 JJADRN CCCn1cc(CNc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)c(C)n1 ZINC001462023986 1067983292 /nfs/dbraw/zinc/98/32/92/1067983292.db2.gz RXQDXCOZGPIFQL-JOCHJYFZSA-N 0 0 456.587 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NCc2cc3cnccc3o2)c1 ZINC001462023312 1067983312 /nfs/dbraw/zinc/98/33/12/1067983312.db2.gz KRTICKOEZRBESP-FQEVSTJZSA-N 0 0 451.523 4.996 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC001462025368 1067983655 /nfs/dbraw/zinc/98/36/55/1067983655.db2.gz BXNKTQJGVVIRGF-YZGWKJHDSA-N 0 0 457.368 4.889 20 0 JJADRN CCn1c(Br)c(Br)nc1CN(C)CCOc1cccc(Cl)c1 ZINC001462025076 1067983720 /nfs/dbraw/zinc/98/37/20/1067983720.db2.gz HBTUBBPYALFMMU-UHFFFAOYSA-N 0 0 451.590 4.592 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001462027310 1067984201 /nfs/dbraw/zinc/98/42/01/1067984201.db2.gz TVIXVYQCJLYAJA-UHFFFAOYSA-N 0 0 452.473 4.504 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462026405 1067984218 /nfs/dbraw/zinc/98/42/18/1067984218.db2.gz PBGBJTMQBQLTMC-VQIMIIECSA-N 0 0 454.368 4.504 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CC[C@H]1c1ccc(C)o1 ZINC001462028664 1067984659 /nfs/dbraw/zinc/98/46/59/1067984659.db2.gz KFIYHQZVKJLFOR-OALUTQOASA-N 0 0 450.457 4.854 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001462036332 1067985991 /nfs/dbraw/zinc/98/59/91/1067985991.db2.gz YVBIRYRKMKNBQY-OAHLLOKOSA-N 0 0 452.839 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)COc3ccccc3C(C)(C)C)cccc2C1 ZINC001462037307 1067986041 /nfs/dbraw/zinc/98/60/41/1067986041.db2.gz IETVXLXSFMGADH-UHFFFAOYSA-N 0 0 452.595 4.973 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001546128988 1067987339 /nfs/dbraw/zinc/98/73/39/1067987339.db2.gz QRKCLVLPPPSDLF-DNQXCXABSA-N 0 0 451.611 4.997 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(Cl)ccc1Br ZINC001462042299 1067987851 /nfs/dbraw/zinc/98/78/51/1067987851.db2.gz WTOGQBLNHVJZSD-UHFFFAOYSA-N 0 0 450.686 4.977 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC001462046039 1067988785 /nfs/dbraw/zinc/98/87/85/1067988785.db2.gz QZISSXZBDCHUIA-UHFFFAOYSA-N 0 0 452.501 4.998 20 0 JJADRN CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001462045974 1067988978 /nfs/dbraw/zinc/98/89/78/1067988978.db2.gz AOGXGKZKBSXHBF-JZGRTCEGSA-N 0 0 456.587 4.815 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1c2ccccc2N(C)C(=O)C1(C)C ZINC001462051152 1067990575 /nfs/dbraw/zinc/99/05/75/1067990575.db2.gz JOFYXENZPBHIGR-LBPRGKRZSA-N 0 0 451.748 4.658 20 0 JJADRN CCOC(=O)Cn1cc(CNc2cc(Br)c(C)cc2OC)c(-c2ccccc2)n1 ZINC001462051128 1067990750 /nfs/dbraw/zinc/99/07/50/1067990750.db2.gz GFLMMNSVMSHYCX-UHFFFAOYSA-N 0 0 458.356 4.805 20 0 JJADRN Cc1c(Br)cc(CN2CCN([C@@H](C)c3nccs3)CC2)cc1Br ZINC001462051237 1067991156 /nfs/dbraw/zinc/99/11/56/1067991156.db2.gz GJKXIHURRWEYLA-ZDUSSCGKSA-N 0 0 459.251 4.855 20 0 JJADRN CNC(=O)c1ccc(CN(C)Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)cc1 ZINC001462052641 1067991164 /nfs/dbraw/zinc/99/11/64/1067991164.db2.gz IPXMYDQKSKFDFW-UHFFFAOYSA-N 0 0 455.400 4.750 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001462052953 1067991343 /nfs/dbraw/zinc/99/13/43/1067991343.db2.gz XCPNHWOLZYWQKA-KRWDZBQOSA-N 0 0 453.612 4.786 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001462053881 1067991899 /nfs/dbraw/zinc/99/18/99/1067991899.db2.gz UAAJJZNILSEUIB-CIMZGTONSA-N 0 0 456.505 4.765 20 0 JJADRN COC(=O)c1oc(CNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1C ZINC001462056715 1067992511 /nfs/dbraw/zinc/99/25/11/1067992511.db2.gz WWLOXXAQPKKMHU-HXUWFJFHSA-N 0 0 458.308 4.574 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN(Cc3ccccc3)[C@@H](CO)C3CC3)cs2)cc1 ZINC001462055332 1067992542 /nfs/dbraw/zinc/99/25/42/1067992542.db2.gz WLVBGKTUQRHUEF-DEOSSOPVSA-N 0 0 451.592 4.609 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)Nc1nn(-c2ncccc2Cl)cc1Br ZINC001462057576 1067992704 /nfs/dbraw/zinc/99/27/04/1067992704.db2.gz DEDZXKJTQVDFLJ-UHFFFAOYSA-N 0 0 456.127 4.663 20 0 JJADRN O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001462062679 1067993966 /nfs/dbraw/zinc/99/39/66/1067993966.db2.gz GYPHONQHMPFBEO-UHFFFAOYSA-N 0 0 450.833 4.710 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@H](c3ccncc3)C3CCCCC3)cc2F)n1 ZINC001462067706 1067995815 /nfs/dbraw/zinc/99/58/15/1067995815.db2.gz GHNOIQIJRRRDLU-QHCPKHFHSA-N 0 0 450.514 4.886 20 0 JJADRN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCCCCCNC(=O)CC1 ZINC001462079001 1067997505 /nfs/dbraw/zinc/99/75/05/1067997505.db2.gz VELPJRFKWCYDKK-UHFFFAOYSA-N 0 0 453.633 4.990 20 0 JJADRN CCOc1cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc(Br)c1O ZINC001462091591 1068000285 /nfs/dbraw/zinc/00/02/85/1068000285.db2.gz GAIWUIAVCBOXMJ-QGZVFWFLSA-N 0 0 457.409 4.631 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3(C)C)cc2)C1 ZINC001462099780 1068001959 /nfs/dbraw/zinc/00/19/59/1068001959.db2.gz XVHVVZVEHIFMJO-FDDCHVKYSA-N 0 0 458.599 4.655 20 0 JJADRN O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC001462099394 1068002081 /nfs/dbraw/zinc/00/20/81/1068002081.db2.gz RUOOFTJMDRCLOJ-QHCPKHFHSA-N 0 0 451.368 4.729 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3(C)C)cc2)C1 ZINC001462099785 1068002094 /nfs/dbraw/zinc/00/20/94/1068002094.db2.gz XVHVVZVEHIFMJO-MBSDFSHPSA-N 0 0 458.599 4.655 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(CC(F)F)CC2)CCCC1 ZINC001546129410 1068002210 /nfs/dbraw/zinc/00/22/10/1068002210.db2.gz FXQJGYLRJBEIFR-UHFFFAOYSA-N 0 0 469.527 4.904 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001462101361 1068002315 /nfs/dbraw/zinc/00/23/15/1068002315.db2.gz CGDJQTURPUBPAH-KRWDZBQOSA-N 0 0 458.324 4.731 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001462101364 1068002418 /nfs/dbraw/zinc/00/24/18/1068002418.db2.gz CGDJQTURPUBPAH-QGZVFWFLSA-N 0 0 458.324 4.731 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)o2)cc1 ZINC001462102114 1068002864 /nfs/dbraw/zinc/00/28/64/1068002864.db2.gz YQEAPYVLJZJZKS-IBGZPJMESA-N 0 0 456.420 4.703 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@@H]3C)CCC2=O)c1 ZINC001462102185 1068002917 /nfs/dbraw/zinc/00/29/17/1068002917.db2.gz FHSAIIZOGMGZDD-WMZOPIPTSA-N 0 0 454.368 4.645 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)ccc1Br ZINC001462101893 1068002955 /nfs/dbraw/zinc/00/29/55/1068002955.db2.gz AMTCNELOOFFSLU-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001462105920 1068004346 /nfs/dbraw/zinc/00/43/46/1068004346.db2.gz KFRZQMZOWRQUGE-CQSZACIVSA-N 0 0 451.951 4.688 20 0 JJADRN CC(C)[C@H]1CN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1C(=O)OC(C)(C)C ZINC001462107181 1068004890 /nfs/dbraw/zinc/00/48/90/1068004890.db2.gz OHFYSFVOLRSDPZ-HXUWFJFHSA-N 0 0 452.521 4.968 20 0 JJADRN COC(=O)[C@H](CC(F)(F)F)NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001462110023 1068006201 /nfs/dbraw/zinc/00/62/01/1068006201.db2.gz GUQBPFXCZNVOMA-SFHVURJKSA-N 0 0 453.461 4.679 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001462111577 1068006259 /nfs/dbraw/zinc/00/62/59/1068006259.db2.gz SWRGRBJEHVYBFN-UHFFFAOYSA-N 0 0 456.992 4.723 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nc(CNC(=O)OC(C)(C)C)sc2C)c2ccccc12 ZINC001462112765 1068007050 /nfs/dbraw/zinc/00/70/50/1068007050.db2.gz BKLQRNUYVXGDML-UHFFFAOYSA-N 0 0 455.536 4.668 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC001462115567 1068007326 /nfs/dbraw/zinc/00/73/26/1068007326.db2.gz PFLOIHUHHXLJST-UHFFFAOYSA-N 0 0 459.493 4.915 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCO[C@H]1C ZINC001462120775 1068008253 /nfs/dbraw/zinc/00/82/53/1068008253.db2.gz SYORMVPBMGSERN-YCRPNKLZSA-N 0 0 458.331 4.907 20 0 JJADRN O=C(NCc1ccc2cccnc2c1)c1cc(I)cc(C(F)(F)F)c1 ZINC001462118897 1068008484 /nfs/dbraw/zinc/00/84/84/1068008484.db2.gz VNRSSFROJGRKPJ-UHFFFAOYSA-N 0 0 456.205 4.788 20 0 JJADRN COc1cc(OC)c(N[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1Br ZINC001462119651 1068008629 /nfs/dbraw/zinc/00/86/29/1068008629.db2.gz KVQHDEHAFBXKDK-ZDUSSCGKSA-N 0 0 455.780 4.969 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N(C)[C@H]2CCSC2)CCCC1 ZINC001546129529 1068008953 /nfs/dbraw/zinc/00/89/53/1068008953.db2.gz JJPYEUZSLWOJQI-SFHVURJKSA-N 0 0 460.644 4.883 20 0 JJADRN Cc1c(F)cccc1N(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCO[C@H]1C ZINC001462122620 1068009978 /nfs/dbraw/zinc/00/99/78/1068009978.db2.gz XVJWOCAWCFSQCE-TZYHBYERSA-N 0 0 456.558 4.986 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CC[C@@H]4[C@H](CCCN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001462123994 1068010195 /nfs/dbraw/zinc/01/01/95/1068010195.db2.gz CDEKLPMLLGGGNC-KKLQWCBXSA-N 0 0 457.615 4.592 20 0 JJADRN CC(C)(NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2o1 ZINC001462124283 1068010619 /nfs/dbraw/zinc/01/06/19/1068010619.db2.gz FZPDKULHIKQZRY-QHCPKHFHSA-N 0 0 459.905 4.583 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001462124190 1068010637 /nfs/dbraw/zinc/01/06/37/1068010637.db2.gz CPWDWXOFRPVULP-UYAOXDASSA-N 0 0 458.990 4.834 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001462127972 1068011125 /nfs/dbraw/zinc/01/11/25/1068011125.db2.gz KLFZIVGOFNFTRL-KBXCAEBGSA-N 0 0 452.334 4.874 20 0 JJADRN CC(C)(NC(=O)Cc1ccccc1I)c1nc2cc(Cl)ccc2o1 ZINC001462126112 1068011306 /nfs/dbraw/zinc/01/13/06/1068011306.db2.gz UPISHPBSABIIRY-UHFFFAOYSA-N 0 0 454.695 4.680 20 0 JJADRN COCCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(Cl)c1 ZINC001462132392 1068012331 /nfs/dbraw/zinc/01/23/31/1068012331.db2.gz NHNWRZDQWPONSU-UHFFFAOYSA-N 0 0 456.848 4.985 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC001462132272 1068012499 /nfs/dbraw/zinc/01/24/99/1068012499.db2.gz AAWLVPJXCUOLEM-JWQCQUIFSA-N 0 0 468.663 4.837 20 0 JJADRN CCOc1ccc(N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCOCC3)cc1Br ZINC001462133272 1068012534 /nfs/dbraw/zinc/01/25/34/1068012534.db2.gz XOUGBFDQNUWVRB-ROUUACIJSA-N 0 0 455.393 4.722 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3OCc3ccccc3)cc2C1=O ZINC001462140339 1068013907 /nfs/dbraw/zinc/01/39/07/1068013907.db2.gz WAAKURBFZBMTHZ-UHFFFAOYSA-N 0 0 456.542 4.934 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462147573 1068015228 /nfs/dbraw/zinc/01/52/28/1068015228.db2.gz PZGGICDJNQVHFY-VXGBXAGGSA-N 0 0 458.531 4.744 20 0 JJADRN COCCOCc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)cc1 ZINC001462150090 1068015614 /nfs/dbraw/zinc/01/56/14/1068015614.db2.gz WBTRWHOTXPIDML-DEOSSOPVSA-N 0 0 458.574 4.783 20 0 JJADRN COCCOCc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)cc1 ZINC001462150099 1068016044 /nfs/dbraw/zinc/01/60/44/1068016044.db2.gz WBTRWHOTXPIDML-XMMPIXPASA-N 0 0 458.574 4.783 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC001462150460 1068016171 /nfs/dbraw/zinc/01/61/71/1068016171.db2.gz XXOPAFQDABMOFA-RBUKOAKNSA-N 0 0 456.564 4.569 20 0 JJADRN COc1cc(CN2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151031 1068016523 /nfs/dbraw/zinc/01/65/23/1068016523.db2.gz UTUBQLKEILGGPN-OAQYLSRUSA-N 0 0 457.384 4.820 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)c2C1 ZINC001462152841 1068017030 /nfs/dbraw/zinc/01/70/30/1068017030.db2.gz BJNVZRDYCWRYHE-MGPUTAFESA-N 0 0 459.516 4.901 20 0 JJADRN CCOCCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Br)[C@@H]1CCc2ccccc21 ZINC001462152329 1068017317 /nfs/dbraw/zinc/01/73/17/1068017317.db2.gz PSIJQGCFBWDSKJ-FOIQADDNSA-N 0 0 450.348 4.908 20 0 JJADRN C[C@H]1CN(Cc2ccc(I)s2)c2cc(Br)ccc2O1 ZINC001462159326 1068018592 /nfs/dbraw/zinc/01/85/92/1068018592.db2.gz VOXQVTDWYITSJQ-VIFPVBQESA-N 0 0 450.139 4.903 20 0 JJADRN COC(=O)c1ccc(CN2C[C@H](C)Oc3ccc(Br)cc32)cc1Br ZINC001462158311 1068018785 /nfs/dbraw/zinc/01/87/85/1068018785.db2.gz QEMRDZDHAFOCQF-NSHDSACASA-N 0 0 455.146 4.786 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@@H]3c4ccccc4C(=O)N3C)CCCCC2)ccc1Br ZINC001462169465 1068021195 /nfs/dbraw/zinc/02/11/95/1068021195.db2.gz UMNJSVYADLMGCK-OAQYLSRUSA-N 0 0 455.396 4.903 20 0 JJADRN Cc1ccc2sc(NC(=O)[C@H]3CC(=O)N(c4ccc(Br)c(C)c4)C3)nc2c1C ZINC001462172040 1068021376 /nfs/dbraw/zinc/02/13/76/1068021376.db2.gz ONRADTHHJNKGMB-AWEZNQCLSA-N 0 0 458.381 4.976 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1 ZINC001462174319 1068022043 /nfs/dbraw/zinc/02/20/43/1068022043.db2.gz ACSUHOKWBQJZQZ-LBPRGKRZSA-N 0 0 455.363 4.787 20 0 JJADRN O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001462178822 1068022923 /nfs/dbraw/zinc/02/29/23/1068022923.db2.gz UXHFNRJRGUXADV-ARFHVFGLSA-N 0 0 460.221 4.720 20 0 JJADRN C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181495 1068023289 /nfs/dbraw/zinc/02/32/89/1068023289.db2.gz ARUHNYAGMBHERK-CJNGLKHVSA-N 0 0 451.365 4.549 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001462181776 1068023721 /nfs/dbraw/zinc/02/37/21/1068023721.db2.gz DFOCXCVMWJKPCD-QPPBQGQZSA-N 0 0 458.599 4.664 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H](C(=O)NC)C2)CCCC1 ZINC001546129928 1068024323 /nfs/dbraw/zinc/02/43/23/1068024323.db2.gz YVFPWBMBPVHGTF-INIZCTEOSA-N 0 0 492.437 4.780 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCc1cccc(I)c1 ZINC001462186728 1068024761 /nfs/dbraw/zinc/02/47/61/1068024761.db2.gz BMTWHFANNRDKCV-NRFANRHFSA-N 0 0 459.327 4.708 20 0 JJADRN CCOc1ccc(N(CC2CC2)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001462191031 1068025778 /nfs/dbraw/zinc/02/57/78/1068025778.db2.gz KVZKWNSKSOSBEA-KRWDZBQOSA-N 0 0 457.368 4.644 20 0 JJADRN CCOc1ccc(N(CC2CC2)C(=O)c2nnn(-c3ccccc3Br)c2C)cc1 ZINC001462189602 1068025828 /nfs/dbraw/zinc/02/58/28/1068025828.db2.gz IKDMNDIXRWDZSQ-UHFFFAOYSA-N 0 0 455.356 4.794 20 0 JJADRN CCn1c2ccc(Br)cc2nc1CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC001462191018 1068025900 /nfs/dbraw/zinc/02/59/00/1068025900.db2.gz MVVZKLRYZIEUJW-UHFFFAOYSA-N 0 0 456.310 4.660 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)CSc1ccc3c(c1)CCC3)CCO2 ZINC001462194761 1068026488 /nfs/dbraw/zinc/02/64/88/1068026488.db2.gz IFJYRRDTKQAKGS-UHFFFAOYSA-N 0 0 454.592 4.718 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)c1sccc1Br)CCO2 ZINC001462193803 1068026546 /nfs/dbraw/zinc/02/65/46/1068026546.db2.gz GHOYWJQAGBWJAG-UHFFFAOYSA-N 0 0 453.358 4.575 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CCC1 ZINC001546129965 1068026719 /nfs/dbraw/zinc/02/67/19/1068026719.db2.gz ZSIHPYSHWPVFHI-QGZVFWFLSA-N 0 0 458.603 4.555 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1cc2c(cc1Br)OCO2 ZINC001462204149 1068028361 /nfs/dbraw/zinc/02/83/61/1068028361.db2.gz PUUXJODSIUOWCP-UHFFFAOYSA-N 0 0 450.029 4.576 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1ccccc1I ZINC001462204845 1068028971 /nfs/dbraw/zinc/02/89/71/1068028971.db2.gz UBKZNDLHNZQKCB-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)OCc1csc(C(F)(F)F)c1 ZINC001462209111 1068029183 /nfs/dbraw/zinc/02/91/83/1068029183.db2.gz FVFKMVQQMYNCLP-AUUYWEPGSA-N 0 0 452.454 4.782 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N2CCN(C)Cc3ccccc32)s1 ZINC001462208628 1068029308 /nfs/dbraw/zinc/02/93/08/1068029308.db2.gz KEHUCEOHBQJYDN-UHFFFAOYSA-N 0 0 458.381 4.673 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NCc2sccc2NC(=O)OC(C)(C)C)ccc1F ZINC001462210250 1068029901 /nfs/dbraw/zinc/02/99/01/1068029901.db2.gz JYVGRIVHPPWEMN-UHFFFAOYSA-N 0 0 457.593 4.923 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001462215259 1068030155 /nfs/dbraw/zinc/03/01/55/1068030155.db2.gz BHMXKJAAPMQXFM-PZJWPPBQSA-N 0 0 459.512 4.747 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2c(F)cc(Br)cc2F)C1 ZINC001462219989 1068031272 /nfs/dbraw/zinc/03/12/72/1068031272.db2.gz NNDLCRPDDSTHGB-SFHVURJKSA-N 0 0 451.355 4.831 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222833 1068031648 /nfs/dbraw/zinc/03/16/48/1068031648.db2.gz CTOZIYFMRLIOTG-IAGOWNOFSA-N 0 0 452.621 4.713 20 0 JJADRN COc1ccc(Cn2cc(NCc3nc(N(C)C)n(-c4ccc(C)cc4)c3Cl)cn2)cc1 ZINC001462221397 1068031942 /nfs/dbraw/zinc/03/19/42/1068031942.db2.gz AZUJAONCNVTCBY-UHFFFAOYSA-N 0 0 450.974 4.766 20 0 JJADRN Fc1ccc(I)c(F)c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001462225371 1068032326 /nfs/dbraw/zinc/03/23/26/1068032326.db2.gz MDAJCGVLMLCVJU-ALKREAHSSA-N 0 0 455.286 4.574 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1ccc(-n2cc(Br)cn2)cc1 ZINC001462226722 1068032762 /nfs/dbraw/zinc/03/27/62/1068032762.db2.gz GVPACDSPBBLEMH-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001462228357 1068033232 /nfs/dbraw/zinc/03/32/32/1068033232.db2.gz QMXQLNHUEXDJIR-MWTRTKDXSA-N 0 0 455.039 4.640 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001462228369 1068033487 /nfs/dbraw/zinc/03/34/87/1068033487.db2.gz QMXQLNHUEXDJIR-WAIKUNEKSA-N 0 0 455.039 4.640 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1c(Cl)cccc1OC(F)F)c1ccccc1 ZINC001462230049 1068033900 /nfs/dbraw/zinc/03/39/00/1068033900.db2.gz RMSSJMQZFZXRGI-HNNXBMFYSA-N 0 0 454.901 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)C1 ZINC001462230097 1068033913 /nfs/dbraw/zinc/03/39/13/1068033913.db2.gz RSSPXNZZNXMDSX-BTCOZLQPSA-N 0 0 456.961 4.998 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CNCc3nc(-c4ccccn4)n[nH]3)n2)cc1 ZINC001462237246 1068035477 /nfs/dbraw/zinc/03/54/77/1068035477.db2.gz KNEORYMOLTXYPE-UHFFFAOYSA-N 0 0 457.538 4.566 20 0 JJADRN CCOC(=O)c1cnn2cc(CNc3cccc(-c4ccc(Br)cc4)c3)cnc12 ZINC001462242985 1068036332 /nfs/dbraw/zinc/03/63/32/1068036332.db2.gz XZFZODWPPVLQOY-UHFFFAOYSA-N 0 0 451.324 4.948 20 0 JJADRN Cc1ccc(N(CCC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1 ZINC001462242522 1068036407 /nfs/dbraw/zinc/03/64/07/1068036407.db2.gz XHAMGQDIIJWHLX-SIKLNZKXSA-N 0 0 480.552 4.841 20 0 JJADRN Cc1ccc(CN2CCO[C@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248216 1068037492 /nfs/dbraw/zinc/03/74/92/1068037492.db2.gz ZOHLNPPLKVMCCZ-HSZRJFAPSA-N 0 0 453.652 4.693 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC1CC(c2ccc(Br)cc2F)C1)C(F)F ZINC001462248939 1068037678 /nfs/dbraw/zinc/03/76/78/1068037678.db2.gz RBHUIJDRGCAWRZ-TZDAIYRESA-N 0 0 451.327 4.972 20 0 JJADRN Cn1cc(C(F)F)c(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC001462250444 1068038047 /nfs/dbraw/zinc/03/80/47/1068038047.db2.gz SDRZIYYGNVYWHN-UHFFFAOYSA-N 0 0 455.896 4.723 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256659 1068039397 /nfs/dbraw/zinc/03/93/97/1068039397.db2.gz CYLPCJKNEBWDPG-QKWWCAPFSA-N 0 0 452.904 4.698 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4C)CCO3)cc2)cc1 ZINC001462262391 1068040505 /nfs/dbraw/zinc/04/05/05/1068040505.db2.gz UKBFAMCHAZVIJC-HHHXNRCGSA-N 0 0 458.558 4.621 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1noc2ccc(F)cc12 ZINC001462266072 1068041228 /nfs/dbraw/zinc/04/12/28/1068041228.db2.gz AWCCYKINNDJEIP-UHFFFAOYSA-N 0 0 452.330 4.773 20 0 JJADRN CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Cl)nc1 ZINC001462264501 1068041312 /nfs/dbraw/zinc/04/13/12/1068041312.db2.gz XJLABMOZSBCDEH-UHFFFAOYSA-N 0 0 450.004 4.747 20 0 JJADRN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc(I)c(F)c1 ZINC001462287590 1068044126 /nfs/dbraw/zinc/04/41/26/1068044126.db2.gz INMMOHJMNZAUMV-LJQANCHMSA-N 0 0 459.249 4.946 20 0 JJADRN Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)c2)c(C)c1 ZINC001462287584 1068044251 /nfs/dbraw/zinc/04/42/51/1068044251.db2.gz HWJHQQOQEFQFMS-NRFANRHFSA-N 0 0 452.551 4.615 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc(OC)c1OC ZINC001462292704 1068045083 /nfs/dbraw/zinc/04/50/83/1068045083.db2.gz HBLRAGZIZNMMDS-ACJLOTCBSA-N 0 0 451.350 4.631 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001462294080 1068045517 /nfs/dbraw/zinc/04/55/17/1068045517.db2.gz LESMYERPLXVIFH-MRXNPFEDSA-N 0 0 450.457 4.702 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)c1ccnc(SC(C)(C)C)c1 ZINC001462293555 1068045699 /nfs/dbraw/zinc/04/56/99/1068045699.db2.gz JFQSTOARPZNMRE-OAHLLOKOSA-N 0 0 457.415 4.783 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3c(OC)cccc3OC(F)(F)F)n2)cc1 ZINC001462298237 1068046706 /nfs/dbraw/zinc/04/67/06/1068046706.db2.gz XVOIWBACIMCOBV-UHFFFAOYSA-N 0 0 451.401 4.614 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N(c3ccc(Cl)cc3C)[C@H]3CCO[C@H]3C)CC2=O)cc1 ZINC001462301219 1068047092 /nfs/dbraw/zinc/04/70/92/1068047092.db2.gz XDCVKYDDRLKJSS-JKSBSHDWSA-N 0 0 459.011 4.934 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3cc(C(=O)OC)c(CC)o3)c2)c1 ZINC001462300042 1068047107 /nfs/dbraw/zinc/04/71/07/1068047107.db2.gz XGGUNVSAEWKJPI-UHFFFAOYSA-N 0 0 450.491 4.670 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001462307621 1068047733 /nfs/dbraw/zinc/04/77/33/1068047733.db2.gz OYGLFTYKLYORLP-ZBFHGGJFSA-N 0 0 454.436 4.507 20 0 JJADRN COC(=O)c1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)n2c1CCCC2 ZINC001462306829 1068047885 /nfs/dbraw/zinc/04/78/85/1068047885.db2.gz PSCOYOJSGQOWOD-SFHVURJKSA-N 0 0 453.583 4.757 20 0 JJADRN C[C@@H](CN1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462309752 1068048263 /nfs/dbraw/zinc/04/82/63/1068048263.db2.gz XTAXESXFKVJRFD-RBUKOAKNSA-N 0 0 458.624 4.839 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2scc(Br)c2c1 ZINC001462313486 1068049148 /nfs/dbraw/zinc/04/91/48/1068049148.db2.gz FCTMDVZVYJOWRD-IBGZPJMESA-N 0 0 459.409 4.873 20 0 JJADRN COc1cc(OC2CC2)ccc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462312691 1068049244 /nfs/dbraw/zinc/04/92/44/1068049244.db2.gz WYWJGONTFMWDTL-KRWDZBQOSA-N 0 0 452.551 4.580 20 0 JJADRN C[C@H]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314939 1068049709 /nfs/dbraw/zinc/04/97/09/1068049709.db2.gz PVFXWTCHSGZORQ-GJZGRUSLSA-N 0 0 454.402 4.557 20 0 JJADRN C[C@H]1Cc2cccc(F)c2N(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC001462315318 1068049772 /nfs/dbraw/zinc/04/97/72/1068049772.db2.gz VDGNXSGXQOSPLB-NSHDSACASA-N 0 0 450.333 4.858 20 0 JJADRN CC1(C)COc2ccc(NC(=O)c3ccc(OC(F)F)c(Br)c3)cc2NC1=O ZINC001462320067 1068050636 /nfs/dbraw/zinc/05/06/36/1068050636.db2.gz PKUOVYPIQLPMTP-UHFFFAOYSA-N 0 0 455.255 4.660 20 0 JJADRN COC(=O)c1ccc(CN2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1Br ZINC001462321339 1068050698 /nfs/dbraw/zinc/05/06/98/1068050698.db2.gz MZRXISJBRWEIPD-UHFFFAOYSA-N 0 0 458.274 4.809 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)CCC1 ZINC001546130837 1068051368 /nfs/dbraw/zinc/05/13/68/1068051368.db2.gz GBHWVWYNVMMZDD-UHFFFAOYSA-N 0 0 490.490 4.835 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)[C@H](C(C)C)S(=O)(=O)C4CCCCC4)c3)[nH]c2n1 ZINC001462328523 1068052176 /nfs/dbraw/zinc/05/21/76/1068052176.db2.gz ZFYBCHMIFWDPQN-NRFANRHFSA-N 0 0 454.596 4.644 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccccc1OC ZINC001462332828 1068052566 /nfs/dbraw/zinc/05/25/66/1068052566.db2.gz LZRITWAEQOIZHS-YMPZKCBVSA-N 0 0 452.595 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001462330425 1068052610 /nfs/dbraw/zinc/05/26/10/1068052610.db2.gz VRAXMSWEIMJRBC-ZJPYXAASSA-N 0 0 454.489 4.689 20 0 JJADRN O=C(Nc1ccnn1CC1CCC1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462338607 1068054099 /nfs/dbraw/zinc/05/40/99/1068054099.db2.gz HJEHZPRIPFKEPV-UHFFFAOYSA-N 0 0 453.340 4.950 20 0 JJADRN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001462341214 1068054548 /nfs/dbraw/zinc/05/45/48/1068054548.db2.gz UBDNMKZZUMYBGE-ORAYPTAESA-N 0 0 453.327 4.578 20 0 JJADRN O=C(Nc1ccc(Br)c(Br)c1)c1cccnc1OCC(F)(F)F ZINC001462342539 1068055021 /nfs/dbraw/zinc/05/50/21/1068055021.db2.gz REXMGSDPECFWLM-UHFFFAOYSA-N 0 0 454.040 4.800 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c2cccc3OC)n1 ZINC001462341871 1068055233 /nfs/dbraw/zinc/05/52/33/1068055233.db2.gz QGDRGZKNYDCLRG-LMKMVOKYSA-N 0 0 455.555 4.572 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)oc1-c1ccccc1 ZINC001462343312 1068055376 /nfs/dbraw/zinc/05/53/76/1068055376.db2.gz GNCNOFFYKGCCQL-NHCUHLMSSA-N 0 0 453.583 4.831 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1NC(=O)CC(C)C ZINC001462345789 1068055894 /nfs/dbraw/zinc/05/58/94/1068055894.db2.gz UGTSYAAGDPUBRR-UNMCSNQZSA-N 0 0 457.615 4.841 20 0 JJADRN O=C(Nc1cncc(C(F)F)c1)c1cc(I)ccc1N1CCCCC1 ZINC001462346382 1068056187 /nfs/dbraw/zinc/05/61/87/1068056187.db2.gz CEHDOIFXXUOSKM-UHFFFAOYSA-N 0 0 457.262 4.866 20 0 JJADRN Cc1c(Cl)ccc2c1CN(C(=O)C1(c3ccc(I)cc3)CC1)CC2 ZINC001462349376 1068056747 /nfs/dbraw/zinc/05/67/47/1068056747.db2.gz CDDCQNAEIICJBJ-UHFFFAOYSA-N 0 0 451.735 4.870 20 0 JJADRN Cc1cccc(Oc2cccc(NC(=O)c3ccc(-n4cc(Br)cn4)nn3)c2)c1 ZINC001462352736 1068057582 /nfs/dbraw/zinc/05/75/82/1068057582.db2.gz LXZSYSZVHOSIHT-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001462354614 1068057976 /nfs/dbraw/zinc/05/79/76/1068057976.db2.gz FXRFFIVNIHZKQR-YADHBBJMSA-N 0 0 462.924 4.507 20 0 JJADRN CCc1cccc(NC(=O)CNCc2cc(Br)c([C@@H](C)OCOC)cc2F)c1 ZINC001462359381 1068059050 /nfs/dbraw/zinc/05/90/50/1068059050.db2.gz CFZOKWQZBUZEGB-CQSZACIVSA-N 0 0 453.352 4.560 20 0 JJADRN COc1sc(CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)cc1Br ZINC001462360398 1068059107 /nfs/dbraw/zinc/05/91/07/1068059107.db2.gz STLBJZVUDLFMGS-CQSZACIVSA-N 0 0 453.402 4.975 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CCOCC1 ZINC001546131092 1068059314 /nfs/dbraw/zinc/05/93/14/1068059314.db2.gz OMEQRZQBGGDSNQ-CVEARBPZSA-N 0 0 483.476 4.837 20 0 JJADRN O=C(Nc1ccc(C2CC2)cc1F)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001462362531 1068059983 /nfs/dbraw/zinc/05/99/83/1068059983.db2.gz JFPXVTBBLJOXFS-UHFFFAOYSA-N 0 0 454.926 4.535 20 0 JJADRN COC(=O)c1ccccc1-c1ccc(CNCC(=O)Nc2ccc(Br)cc2C)o1 ZINC001462364320 1068060768 /nfs/dbraw/zinc/06/07/68/1068060768.db2.gz ZSJWSAUMMRSPEW-UHFFFAOYSA-N 0 0 457.324 4.532 20 0 JJADRN CC1(C)CC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001462367434 1068060996 /nfs/dbraw/zinc/06/09/96/1068060996.db2.gz LJCYZXKCTAQEIX-QTJGBDASSA-N 0 0 454.636 4.566 20 0 JJADRN CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001462367432 1068061014 /nfs/dbraw/zinc/06/10/14/1068061014.db2.gz LJCYZXKCTAQEIX-JRFVFWCSSA-N 0 0 454.636 4.566 20 0 JJADRN Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]3C)cnc12 ZINC001462370661 1068061366 /nfs/dbraw/zinc/06/13/66/1068061366.db2.gz ACCDXIOTKXNMNJ-BZUAXINKSA-N 0 0 451.409 4.623 20 0 JJADRN C[C@H]1CC[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369054 1068061628 /nfs/dbraw/zinc/06/16/28/1068061628.db2.gz CPRPDHXSJQRFGH-UWVGGRQHSA-N 0 0 455.290 4.883 20 0 JJADRN O=C(NCc1ccccc1)[C@@H]1CCN(Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374839 1068062465 /nfs/dbraw/zinc/06/24/65/1068062465.db2.gz KGRQMLFEGWEIMF-CQSZACIVSA-N 0 0 459.281 4.745 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccnn2CCc2ccccc2)[C@@H]1C(F)(F)F ZINC001462378338 1068063016 /nfs/dbraw/zinc/06/30/16/1068063016.db2.gz ALOKYOXFLPXIKJ-FPOVZHCZSA-N 0 0 466.548 4.793 20 0 JJADRN Cc1nc(CCC(=O)NCc2noc3cc(F)ccc23)oc1-c1ccc(Br)cc1 ZINC001462382098 1068063189 /nfs/dbraw/zinc/06/31/89/1068063189.db2.gz XQEXDUFLOMKVEY-UHFFFAOYSA-N 0 0 458.287 4.942 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C)CC(=O)NCc1ccccc1 ZINC001462383559 1068063914 /nfs/dbraw/zinc/06/39/14/1068063914.db2.gz KDRZOWMWNOIXKM-UHFFFAOYSA-N 0 0 458.537 4.860 20 0 JJADRN COC(=O)c1cccc(NC(=O)C[C@@H](C)Nc2ccc(Sc3cccc(OC)c3)cn2)c1 ZINC001462391767 1068064598 /nfs/dbraw/zinc/06/45/98/1068064598.db2.gz BIZCMFSDOWVJHM-MRXNPFEDSA-N 0 0 451.548 4.857 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001462391600 1068064733 /nfs/dbraw/zinc/06/47/33/1068064733.db2.gz GZOVPYUKSMLFLB-OAQYLSRUSA-N 0 0 454.567 4.550 20 0 JJADRN Cc1cc(CN2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c(Br)cc1F ZINC001462392016 1068064818 /nfs/dbraw/zinc/06/48/18/1068064818.db2.gz OCRYUHYVGFNCFR-UHFFFAOYSA-N 0 0 451.302 4.806 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)cc1 ZINC001462395848 1068065068 /nfs/dbraw/zinc/06/50/68/1068065068.db2.gz LKBYNFWUVKPESE-YHYXMXQVSA-N 0 0 453.926 4.913 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)CCC1 ZINC001546131340 1068066107 /nfs/dbraw/zinc/06/61/07/1068066107.db2.gz XDFOTFNGRZNXCL-UHFFFAOYSA-N 0 0 474.447 4.735 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001462403647 1068066750 /nfs/dbraw/zinc/06/67/50/1068066750.db2.gz VHHUNIATZKYEQC-HYBUGGRVSA-N 0 0 454.636 4.966 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001462404807 1068067275 /nfs/dbraw/zinc/06/72/75/1068067275.db2.gz FEQOCEKXMPVPIU-LJQANCHMSA-N 0 0 459.587 4.504 20 0 JJADRN CC(C)(C)c1ccc(Br)cc1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC001462409222 1068067434 /nfs/dbraw/zinc/06/74/34/1068067434.db2.gz GBHURBMPUVJULA-UHFFFAOYSA-N 0 0 451.386 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)C1(C)C ZINC001462410946 1068068799 /nfs/dbraw/zinc/06/87/99/1068068799.db2.gz KURCNKNQYDZDDJ-HRAATJIYSA-N 0 0 453.514 4.643 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc([C@@H](F)C(F)(F)F)cc3)CC2)cc1 ZINC001462423962 1068071790 /nfs/dbraw/zinc/07/17/90/1068071790.db2.gz BMAQXRQVDXAEMQ-LJQANCHMSA-N 0 0 458.477 4.607 20 0 JJADRN O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(CCC(F)(F)F)cc1 ZINC001462424289 1068071978 /nfs/dbraw/zinc/07/19/78/1068071978.db2.gz IKGFXBISSZCYOY-KRWDZBQOSA-N 0 0 455.274 4.627 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)c1 ZINC001462428829 1068072791 /nfs/dbraw/zinc/07/27/91/1068072791.db2.gz PLUDDYXYLLCOCV-QGZVFWFLSA-N 0 0 450.429 4.680 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)ccc1F ZINC001462434648 1068073444 /nfs/dbraw/zinc/07/34/44/1068073444.db2.gz DZLJUNJWBXCVHN-FQEVSTJZSA-N 0 0 456.514 4.976 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c(Cl)c1 ZINC001462436216 1068073880 /nfs/dbraw/zinc/07/38/80/1068073880.db2.gz FHILNNIIOVDMPC-QFQXNSOFSA-N 0 0 457.014 4.699 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cs1)C(N)=O ZINC001462444752 1068075508 /nfs/dbraw/zinc/07/55/08/1068075508.db2.gz UQHMHEPLDLFEEC-OCCSQVGLSA-N 0 0 452.907 4.542 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cs1)C(N)=O ZINC001462444747 1068075547 /nfs/dbraw/zinc/07/55/47/1068075547.db2.gz UQHMHEPLDLFEEC-GXTWGEPZSA-N 0 0 452.907 4.542 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001462446158 1068076638 /nfs/dbraw/zinc/07/66/38/1068076638.db2.gz YJIDHECPQIIROP-QGZVFWFLSA-N 0 0 457.861 4.868 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC001462449051 1068076788 /nfs/dbraw/zinc/07/67/88/1068076788.db2.gz AFNOBEXTHJZVGU-LJQANCHMSA-N 0 0 451.958 4.706 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449384 1068076981 /nfs/dbraw/zinc/07/69/81/1068076981.db2.gz YDOFRLNKKGSZDK-OPAMFIHVSA-N 0 0 452.904 4.864 20 0 JJADRN CC(C)(C)OC(=O)N(CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)(C)C ZINC001462449193 1068077131 /nfs/dbraw/zinc/07/71/31/1068077131.db2.gz QXWMGBCLNOQPFC-RTBURBONSA-N 0 0 471.564 4.559 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001462451111 1068077573 /nfs/dbraw/zinc/07/75/73/1068077573.db2.gz IYWVNLBCGIFDAQ-CYBMUJFWSA-N 0 0 450.686 4.554 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCCc2cc(Cl)cc(Br)c2)cc1 ZINC001462452398 1068077943 /nfs/dbraw/zinc/07/79/43/1068077943.db2.gz QNSPHZIGMKFDBK-OAHLLOKOSA-N 0 0 452.776 4.750 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)C1 ZINC001462452962 1068078004 /nfs/dbraw/zinc/07/80/04/1068078004.db2.gz SJUNYJGRWXLHBU-IBGZPJMESA-N 0 0 457.905 4.901 20 0 JJADRN COC(=O)C[C@@H](C)CC(=O)Nc1ccccc1Oc1cccc(I)c1 ZINC001462454598 1068078367 /nfs/dbraw/zinc/07/83/67/1068078367.db2.gz RWLYCRWMRXIAOG-ZDUSSCGKSA-N 0 0 453.276 4.611 20 0 JJADRN Cn1cc(CN(C(=O)C(F)(F)c2cc(F)cc(F)c2)c2ccc(Br)cc2)cn1 ZINC001462456350 1068078398 /nfs/dbraw/zinc/07/83/98/1068078398.db2.gz UJGRKOYOOAKIHX-UHFFFAOYSA-N 0 0 456.237 4.786 20 0 JJADRN CS(=O)(=O)c1ccc([C@@H]2CN(CC(c3ccc(F)cc3)c3ccc(F)cc3)CCO2)cc1 ZINC001462457166 1068078681 /nfs/dbraw/zinc/07/86/81/1068078681.db2.gz DRYKFWKNQAWTKF-VWLOTQADSA-N 0 0 457.542 4.574 20 0 JJADRN Cn1cc(CN(C(=O)c2cc(-c3cccc(F)c3)no2)c2ccc(Br)cc2)cn1 ZINC001462458109 1068078748 /nfs/dbraw/zinc/07/87/48/1068078748.db2.gz KQMGXHDDPVQPBF-UHFFFAOYSA-N 0 0 455.287 4.824 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC001462462024 1068079124 /nfs/dbraw/zinc/07/91/24/1068079124.db2.gz KMEKSSBNSXVUBX-QGZVFWFLSA-N 0 0 453.564 4.595 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)CCCC2 ZINC001462463403 1068079962 /nfs/dbraw/zinc/07/99/62/1068079962.db2.gz AHJULAMWTJDIFF-JUXOCIIHSA-N 0 0 475.383 4.523 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cccnc3Sc3ccccc3)C2)nc1C ZINC001462464157 1068080016 /nfs/dbraw/zinc/08/00/16/1068080016.db2.gz UUFSYNRGGKEJBJ-INIZCTEOSA-N 0 0 453.589 4.804 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(C(C)C)n(-c4ccccc4)n3)C2)nc1C ZINC001462462689 1068080055 /nfs/dbraw/zinc/08/00/55/1068080055.db2.gz LZEYIOJESKKERA-KRWDZBQOSA-N 0 0 452.580 4.567 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CC[C@@H](c2nccs2)C1 ZINC001462463845 1068080100 /nfs/dbraw/zinc/08/01/00/1068080100.db2.gz UECVQDUYUDNACD-MRVPVSSYSA-N 0 0 453.132 4.684 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)CCc1nc(-c3ccc(C)c(F)c3)no1)CCCC2 ZINC001462464888 1068080598 /nfs/dbraw/zinc/08/05/98/1068080598.db2.gz GGYUNSMLOOFFFF-HXUWFJFHSA-N 0 0 453.514 4.718 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(OCc4ccccc4)cs3)C2)nc1C ZINC001462469072 1068080763 /nfs/dbraw/zinc/08/07/63/1068080763.db2.gz XRWLZHXMRJVCKN-KRWDZBQOSA-N 0 0 456.589 4.898 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)s1 ZINC001462477867 1068081645 /nfs/dbraw/zinc/08/16/45/1068081645.db2.gz GVAWKTUMHWDQNS-UHFFFAOYSA-N 0 0 454.514 4.567 20 0 JJADRN CO[C@H]1COCC[C@H]1N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001462486894 1068083351 /nfs/dbraw/zinc/08/33/51/1068083351.db2.gz OECYBIMGOZCPKQ-YADHBBJMSA-N 0 0 455.352 4.540 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)Oc2cc(C(C)(C)C)ccc2I)c1 ZINC001462488934 1068084012 /nfs/dbraw/zinc/08/40/12/1068084012.db2.gz DCQZPWSHWWZNDC-VURMDHGXSA-N 0 0 454.260 4.587 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCc3ccc(C)nc3Cl)cc2Br)no1 ZINC001462491296 1068084510 /nfs/dbraw/zinc/08/45/10/1068084510.db2.gz BHCAUWDJDMHVFY-UHFFFAOYSA-N 0 0 450.720 4.611 20 0 JJADRN CN(C)C(=O)NCCc1ccc(N[C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490896 1068084603 /nfs/dbraw/zinc/08/46/03/1068084603.db2.gz KGXSPIQAKCEEKW-FCHUYYIVSA-N 0 0 459.432 4.510 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3csc(Br)c3)CC2)nc1C ZINC001462496931 1068085268 /nfs/dbraw/zinc/08/52/68/1068085268.db2.gz OXASEQQOTKNGPH-UHFFFAOYSA-N 0 0 457.415 4.547 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001462495684 1068085327 /nfs/dbraw/zinc/08/53/27/1068085327.db2.gz MRICZWQETCFFIC-GHTZIAJQSA-N 0 0 454.286 4.794 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3ccn(Cc4ccccc4)c3)CC2)nc1C ZINC001462497896 1068085707 /nfs/dbraw/zinc/08/57/07/1068085707.db2.gz RYMMZMOVRGITMV-UHFFFAOYSA-N 0 0 451.592 4.573 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001462499324 1068085976 /nfs/dbraw/zinc/08/59/76/1068085976.db2.gz BFDWFVDESOBSMK-KRWDZBQOSA-N 0 0 458.580 4.706 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)CCc1cc(F)ccc1Br)CC2 ZINC001462499729 1068086344 /nfs/dbraw/zinc/08/63/44/1068086344.db2.gz VFRWOLGMVGSRSP-UHFFFAOYSA-N 0 0 450.348 4.858 20 0 JJADRN CCSc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)cn1 ZINC001462500443 1068086464 /nfs/dbraw/zinc/08/64/64/1068086464.db2.gz NEZPGYJYLOLNLH-HXUWFJFHSA-N 0 0 457.596 4.636 20 0 JJADRN CO[C@H]1CCn2cc(C(=O)N(C)Cc3cc(F)ccc3Oc3ccc(SC)cc3)nc2C1 ZINC001462511029 1068088018 /nfs/dbraw/zinc/08/80/18/1068088018.db2.gz CPNKNFWVWWHOME-IBGZPJMESA-N 0 0 455.555 4.770 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N1CCCSC[C@@H]1c1ccccc1 ZINC001462509898 1068088049 /nfs/dbraw/zinc/08/80/49/1068088049.db2.gz YLEWUUYFJXSLAS-OAHLLOKOSA-N 0 0 456.203 4.927 20 0 JJADRN C[C@@]1(c2cccc(NC(=O)COc3ccc4cc(Br)ccc4c3)c2)COC(=O)N1 ZINC001462509695 1068088079 /nfs/dbraw/zinc/08/80/79/1068088079.db2.gz XIIZSKIJGVWFIV-QFIPXVFZSA-N 0 0 455.308 4.575 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)Cc1cc(Br)ccc1Cl)CC2 ZINC001462511160 1068088096 /nfs/dbraw/zinc/08/80/96/1068088096.db2.gz ZFSZBNDCOZSDNY-UHFFFAOYSA-N 0 0 452.776 4.982 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2CCCc3sccc32)c1 ZINC001462519264 1068090152 /nfs/dbraw/zinc/09/01/52/1068090152.db2.gz YJAVYTBDUBDGNO-LEWJYISDSA-N 0 0 456.608 4.997 20 0 JJADRN CCC[C@H](C)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl ZINC001462519607 1068090390 /nfs/dbraw/zinc/09/03/90/1068090390.db2.gz WPUNJDREFLOKAI-INIZCTEOSA-N 0 0 453.004 4.730 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)/C=C/SCc2ccco2)c1 ZINC001462519648 1068090546 /nfs/dbraw/zinc/09/05/46/1068090546.db2.gz ZRWWLWBKNXHWDY-PAGBRTJLSA-N 0 0 458.580 4.856 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC001462519512 1068090592 /nfs/dbraw/zinc/09/05/92/1068090592.db2.gz VHVIZKFKGTYXLI-UHFFFAOYSA-N 0 0 454.885 4.666 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)C1 ZINC001462522388 1068090937 /nfs/dbraw/zinc/09/09/37/1068090937.db2.gz BXKVUCURAKEHNK-ZWKOTPCHSA-N 0 0 463.933 4.897 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001462524570 1068091379 /nfs/dbraw/zinc/09/13/79/1068091379.db2.gz AFGZCILSFYTWBL-JOCHJYFZSA-N 0 0 457.864 4.957 20 0 JJADRN C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001462524906 1068091440 /nfs/dbraw/zinc/09/14/40/1068091440.db2.gz FLPIEZUJFYJLFW-MAODMQOUSA-N 0 0 454.954 4.827 20 0 JJADRN Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Oc2cccc(Cl)c2)nnn1-c1ccn(C)n1 ZINC001462524733 1068091658 /nfs/dbraw/zinc/09/16/58/1068091658.db2.gz CVMAKMJGFLYPMF-HNNXBMFYSA-N 0 0 450.930 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(Cc2ccc(Br)nc2)CC1 ZINC001462526415 1068091878 /nfs/dbraw/zinc/09/18/78/1068091878.db2.gz IEGKVADNHUSCCT-LJQANCHMSA-N 0 0 450.421 4.846 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Cl)cc1Br)C(=O)CO[C@@H]1CCOC1 ZINC001462526809 1068091932 /nfs/dbraw/zinc/09/19/32/1068091932.db2.gz OWPLVZPMQNHZSH-MRXNPFEDSA-N 0 0 454.748 4.659 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Cl)cc1Br)C(=O)CO[C@H]1CCOC1 ZINC001462526803 1068091989 /nfs/dbraw/zinc/09/19/89/1068091989.db2.gz OWPLVZPMQNHZSH-INIZCTEOSA-N 0 0 454.748 4.659 20 0 JJADRN O=C1COc2cc(Br)cc(NC3CC(c4ccc(Br)cc4)C3)c2N1 ZINC001462531650 1068093222 /nfs/dbraw/zinc/09/32/22/1068093222.db2.gz WOIIMJXCQDNIJO-UHFFFAOYSA-N 0 0 452.146 4.901 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001462537013 1068093649 /nfs/dbraw/zinc/09/36/49/1068093649.db2.gz NAPOPZFZOADSRG-IRXDYDNUSA-N 0 0 454.876 4.714 20 0 JJADRN Cc1nn2c(CN3CCOc4cc(NC(=O)OC(C)(C)C)ccc4C3)c(C(C)C)nc2s1 ZINC001462537417 1068093758 /nfs/dbraw/zinc/09/37/58/1068093758.db2.gz ZVTFCHUPVZMXSL-UHFFFAOYSA-N 0 0 457.600 4.964 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CCOCC1 ZINC001546132306 1068094007 /nfs/dbraw/zinc/09/40/07/1068094007.db2.gz DEKNXWMGNBSLLA-UHFFFAOYSA-N 0 0 457.022 4.792 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001462543819 1068095148 /nfs/dbraw/zinc/09/51/48/1068095148.db2.gz JOBPFPLURLWOEZ-OAQYLSRUSA-N 0 0 450.922 4.935 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H](C)c1ccc(I)cc1 ZINC001462542994 1068095271 /nfs/dbraw/zinc/09/52/71/1068095271.db2.gz GHJXAHDBTSHTQH-LLVKDONJSA-N 0 0 457.695 4.782 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 ZINC001546132387 1068096752 /nfs/dbraw/zinc/09/67/52/1068096752.db2.gz HDJMUOPVSIMTIQ-OAHLLOKOSA-N 0 0 450.414 4.924 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC001546132406 1068096983 /nfs/dbraw/zinc/09/69/83/1068096983.db2.gz HPXDGSLZBKTJMY-SFHVURJKSA-N 0 0 471.627 4.662 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001462556722 1068097565 /nfs/dbraw/zinc/09/75/65/1068097565.db2.gz WCHQEOWMHWRUQL-UHFFFAOYSA-N 0 0 458.521 4.640 20 0 JJADRN Cc1ccc(/C=C\c2cc(C(=O)NCc3nonc3C)c3cc(Br)ccc3n2)o1 ZINC001462559195 1068098074 /nfs/dbraw/zinc/09/80/74/1068098074.db2.gz YKWNQIGZMUWRLQ-ALCCZGGFSA-N 0 0 453.296 4.691 20 0 JJADRN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001462566904 1068099441 /nfs/dbraw/zinc/09/94/41/1068099441.db2.gz PHEWNFGEYPARME-UHFFFAOYSA-N 0 0 451.404 4.941 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccncc3)s2)c2ccccc21 ZINC001462567937 1068099858 /nfs/dbraw/zinc/09/98/58/1068099858.db2.gz NXEJYSYFEREOCR-QGZVFWFLSA-N 0 0 450.564 4.864 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462570295 1068100682 /nfs/dbraw/zinc/10/06/82/1068100682.db2.gz UXFXBCSIBNPFJE-NSHDSACASA-N 0 0 457.093 4.691 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(Cc1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 ZINC001462572799 1068101181 /nfs/dbraw/zinc/10/11/81/1068101181.db2.gz HKMDGJDBUMVIHG-UHFFFAOYSA-N 0 0 456.518 4.623 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001546132594 1068103933 /nfs/dbraw/zinc/10/39/33/1068103933.db2.gz NYBLTEAXIHWOMK-UHFFFAOYSA-N 0 0 452.990 4.875 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581470 1068103956 /nfs/dbraw/zinc/10/39/56/1068103956.db2.gz ADUSAGIBWUJQED-CQSZACIVSA-N 0 0 455.422 4.636 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1(C)C ZINC001462581467 1068103997 /nfs/dbraw/zinc/10/39/97/1068103997.db2.gz ADUSAGIBWUJQED-AWEZNQCLSA-N 0 0 455.422 4.636 20 0 JJADRN Brc1cncc(Br)c1CN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001462584639 1068104399 /nfs/dbraw/zinc/10/43/99/1068104399.db2.gz HARUZYHAECKKOY-NSHDSACASA-N 0 0 457.235 4.931 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2c3ccc(Br)cc3CCC2(C)C)c1C ZINC001462587367 1068105307 /nfs/dbraw/zinc/10/53/07/1068105307.db2.gz KXYYOCTWPMBHKD-UHFFFAOYSA-N 0 0 450.398 4.841 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001462591066 1068106686 /nfs/dbraw/zinc/10/66/86/1068106686.db2.gz UZSBLQDMALWYGJ-HJPURHCSSA-N 0 0 457.496 4.814 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC001546132723 1068108738 /nfs/dbraw/zinc/10/87/38/1068108738.db2.gz RAPSVOFRTDFILJ-CALCHBBNSA-N 0 0 493.446 4.537 20 0 JJADRN Cc1ccc(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1Br ZINC001462598519 1068108745 /nfs/dbraw/zinc/10/87/45/1068108745.db2.gz QYQHIHYYBDEDHL-UHFFFAOYSA-N 0 0 454.155 4.634 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCOC(F)(F)C(F)(F)F)cc1 ZINC001462597977 1068108775 /nfs/dbraw/zinc/10/87/75/1068108775.db2.gz SCARNYKAZQRDHF-UHFFFAOYSA-N 0 0 457.374 4.888 20 0 JJADRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC001462600166 1068109409 /nfs/dbraw/zinc/10/94/09/1068109409.db2.gz AXISFDHJCVMPLC-CNUNBNKRSA-N 0 0 454.375 4.871 20 0 JJADRN Cc1c(Br)cc(CN(C)CC(=O)NCCC2=CCCCC2)cc1Br ZINC001462605223 1068110159 /nfs/dbraw/zinc/11/01/59/1068110159.db2.gz QNTHVIPDXMMXRX-UHFFFAOYSA-N 0 0 458.238 4.959 20 0 JJADRN O=C(Nc1ccc2c(n1)CCCC2)c1cccc(Br)c1I ZINC001462604947 1068110240 /nfs/dbraw/zinc/11/02/40/1068110240.db2.gz KIIAVMSJOOIOFF-UHFFFAOYSA-N 0 0 457.109 4.580 20 0 JJADRN C[C@@]1(C(F)(F)F)CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 ZINC001462606152 1068110715 /nfs/dbraw/zinc/11/07/15/1068110715.db2.gz NCSCZCBJEPILAJ-LJQANCHMSA-N 0 0 456.306 4.928 20 0 JJADRN Cc1csc([C@H]2CCN(C(=O)Cc3csc(-c4cc(Br)cs4)n3)C2)n1 ZINC001462608771 1068111471 /nfs/dbraw/zinc/11/14/71/1068111471.db2.gz BDHMWWKUHKWRRX-NSHDSACASA-N 0 0 454.440 4.958 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)Cc2ccccc21 ZINC001462609511 1068111501 /nfs/dbraw/zinc/11/15/01/1068111501.db2.gz SAYSCJYXCWERLN-KRWDZBQOSA-N 0 0 454.979 4.925 20 0 JJADRN CC(C)c1nsc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC001462608606 1068111521 /nfs/dbraw/zinc/11/15/21/1068111521.db2.gz HSAFDUXSUYCWDA-UHFFFAOYSA-N 0 0 459.369 4.858 20 0 JJADRN Cc1csc([C@@H]2CCN(C(=O)Cc3csc(-c4cc(Br)cs4)n3)C2)n1 ZINC001462608767 1068111560 /nfs/dbraw/zinc/11/15/60/1068111560.db2.gz BDHMWWKUHKWRRX-LLVKDONJSA-N 0 0 454.440 4.958 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)Cc2nccs2)CCOCC1 ZINC001546132839 1068112998 /nfs/dbraw/zinc/11/29/98/1068112998.db2.gz WUWFGDYAYRUXRR-UHFFFAOYSA-N 0 0 462.019 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC001462624043 1068115522 /nfs/dbraw/zinc/11/55/22/1068115522.db2.gz UKCRVTFESUBENN-IBGZPJMESA-N 0 0 457.594 4.656 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001462628231 1068117035 /nfs/dbraw/zinc/11/70/35/1068117035.db2.gz PBAUZZIWIJEFNS-IBGZPJMESA-N 0 0 450.620 4.576 20 0 JJADRN COCCOCCOc1ccc(NCc2c(Cl)ccnc2Cl)cc1Br ZINC001462630006 1068117601 /nfs/dbraw/zinc/11/76/01/1068117601.db2.gz QPBSZBCAXCPKNP-UHFFFAOYSA-N 0 0 450.160 4.805 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1Br)NCc1ccc(-c2cccc(F)c2F)o1 ZINC001462632941 1068118862 /nfs/dbraw/zinc/11/88/62/1068118862.db2.gz GCXILLRFMHVYKK-SFHVURJKSA-N 0 0 450.279 4.861 20 0 JJADRN Cn1ncc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1C(F)F ZINC001462632388 1068118873 /nfs/dbraw/zinc/11/88/73/1068118873.db2.gz ACTHRDYPFQTSLZ-QAPCUYQASA-N 0 0 454.562 4.684 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1Br)NCc1cc(C(F)(F)F)ccc1Cl ZINC001462635463 1068120234 /nfs/dbraw/zinc/12/02/34/1068120234.db2.gz KOQDBYZFKFMNEG-MRXNPFEDSA-N 0 0 450.682 4.995 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCN(Cc2ccccc2)c2ccccn2)cc1)c1cccs1 ZINC001462637820 1068120740 /nfs/dbraw/zinc/12/07/40/1068120740.db2.gz NLDAKACZWOUOBM-UHFFFAOYSA-N 0 0 456.571 4.832 20 0 JJADRN CCOC(=O)C(F)(F)[C@H]1CCC[C@H](Nc2ccc(OCCOC)c(Br)c2)C1 ZINC001462637045 1068120786 /nfs/dbraw/zinc/12/07/86/1068120786.db2.gz ZOAPWXAQNYYEEA-KBPBESRZSA-N 0 0 450.320 4.643 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](Nc2ccc(OCCOC)c(Br)c2)C1 ZINC001462637048 1068120794 /nfs/dbraw/zinc/12/07/94/1068120794.db2.gz ZOAPWXAQNYYEEA-ZIAGYGMSSA-N 0 0 450.320 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)CCCc2c[nH]c3ccccc23)(C(F)(F)F)CC1 ZINC001462644691 1068122316 /nfs/dbraw/zinc/12/23/16/1068122316.db2.gz KBXDMCBLVYRMQZ-UHFFFAOYSA-N 0 0 453.505 4.939 20 0 JJADRN Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462647027 1068122767 /nfs/dbraw/zinc/12/27/67/1068122767.db2.gz ALKHGPFMMFYSSC-CECAUBDESA-N 0 0 461.389 4.861 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC001462651543 1068124492 /nfs/dbraw/zinc/12/44/92/1068124492.db2.gz ZZYHBFDZAJAIQI-LLGFUMIMSA-N 0 0 450.542 4.666 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462653131 1068125242 /nfs/dbraw/zinc/12/52/42/1068125242.db2.gz GOTDPMHOCUQZOR-FCHUYYIVSA-N 0 0 451.485 4.693 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)O3)cc12 ZINC001462653731 1068125262 /nfs/dbraw/zinc/12/52/62/1068125262.db2.gz HYGAMZUMJBEJLT-CRAIPNDOSA-N 0 0 455.477 4.823 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)nnc1-c1ccccc1 ZINC001462655423 1068125634 /nfs/dbraw/zinc/12/56/34/1068125634.db2.gz LQVMBKOVWJLJIY-UAGQMJEPSA-N 0 0 456.534 4.624 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)c1cccc(C(F)(F)F)c1 ZINC001462657740 1068126536 /nfs/dbraw/zinc/12/65/36/1068126536.db2.gz KKUCIHSDPMTGGQ-HXUWFJFHSA-N 0 0 453.457 4.783 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCc2cnc3ccccc3c2)[C@@H]1c1ccccc1OC ZINC001462659059 1068126564 /nfs/dbraw/zinc/12/65/64/1068126564.db2.gz BDCCYLYXTOWWKZ-KCWPFWIISA-N 0 0 459.590 4.682 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001462670909 1068127944 /nfs/dbraw/zinc/12/79/44/1068127944.db2.gz QPWBMZJSTFCDIO-KQEPKPNTSA-N 0 0 453.316 4.678 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@H](C)c2ccc(F)cc2C)c2ccccc2)cc1 ZINC001462675820 1068128557 /nfs/dbraw/zinc/12/85/57/1068128557.db2.gz MOLIABJKZROFKC-HXUWFJFHSA-N 0 0 454.567 4.905 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)O2 ZINC001462672847 1068128621 /nfs/dbraw/zinc/12/86/21/1068128621.db2.gz WXAKZFNRZVQIFZ-TUAABQIMSA-N 0 0 453.501 4.523 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)c1cc(Cl)cc(Cl)c1F ZINC001462679752 1068129818 /nfs/dbraw/zinc/12/98/18/1068129818.db2.gz RBTWHYQLNBAEPJ-HUUCEWRRSA-N 0 0 453.341 4.627 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001462679950 1068129848 /nfs/dbraw/zinc/12/98/48/1068129848.db2.gz QHHFQCAVYMJSFE-UHFFFAOYSA-N 0 0 450.604 4.815 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1cc(Cl)cc(Cl)c1F ZINC001462679733 1068129869 /nfs/dbraw/zinc/12/98/69/1068129869.db2.gz RBTWHYQLNBAEPJ-CABCVRRESA-N 0 0 453.341 4.627 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCC[C@H](N(C)C)C(F)(F)F)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001462684731 1068131273 /nfs/dbraw/zinc/13/12/73/1068131273.db2.gz UYMJPVWVWDMUHW-IBGZPJMESA-N 0 0 451.493 4.501 20 0 JJADRN CN(Cc1ccc2ccccc2c1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001462694116 1068133424 /nfs/dbraw/zinc/13/34/24/1068133424.db2.gz IEIRDDZVUDVQME-HSZRJFAPSA-N 0 0 456.995 4.560 20 0 JJADRN COc1cnc(F)c(CN2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)c1 ZINC001462692757 1068133517 /nfs/dbraw/zinc/13/35/17/1068133517.db2.gz YVSWBSLVTBNTRE-FQEVSTJZSA-N 0 0 457.546 4.612 20 0 JJADRN O=S(=O)(Oc1ccc(-n2ccnc2)cc1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001462697144 1068134675 /nfs/dbraw/zinc/13/46/75/1068134675.db2.gz WRTWQWJJZGCEEN-UHFFFAOYSA-N 0 0 451.451 4.782 20 0 JJADRN CC(C)(CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)CS(C)(=O)=O ZINC001462698078 1068134725 /nfs/dbraw/zinc/13/47/25/1068134725.db2.gz MVAUUBYARRSSFK-SAPNQHFASA-N 0 0 452.576 4.505 20 0 JJADRN Cc1cnc(CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c(C)c1 ZINC001462701395 1068135736 /nfs/dbraw/zinc/13/57/36/1068135736.db2.gz WLEOVKMBFJIXAF-UHFFFAOYSA-N 0 0 451.452 4.895 20 0 JJADRN O=S(=O)(NCCc1ccccc1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001462703923 1068136450 /nfs/dbraw/zinc/13/64/50/1068136450.db2.gz NULYCIFJKWPINI-UHFFFAOYSA-N 0 0 450.329 4.902 20 0 JJADRN COc1ccc([C@@H](CNS(=O)(=O)Cc2c(F)cccc2F)c2c[nH]c3ccccc32)cc1 ZINC001462704161 1068137043 /nfs/dbraw/zinc/13/70/43/1068137043.db2.gz ZRUWGTLMAORAKL-LJQANCHMSA-N 0 0 456.514 4.706 20 0 JJADRN COc1ccc([C@H](CNS(=O)(=O)Cc2c(F)cccc2F)c2c[nH]c3ccccc32)cc1 ZINC001462704156 1068137068 /nfs/dbraw/zinc/13/70/68/1068137068.db2.gz ZRUWGTLMAORAKL-IBGZPJMESA-N 0 0 456.514 4.706 20 0 JJADRN CCn1c(SCC(=O)NCc2ncc(C)cc2C)nnc1-c1ccc(Cl)cc1Cl ZINC001462707803 1068138249 /nfs/dbraw/zinc/13/82/49/1068138249.db2.gz MBYBYYNTBBHPPR-UHFFFAOYSA-N 0 0 450.395 4.692 20 0 JJADRN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC001462709368 1068138850 /nfs/dbraw/zinc/13/88/50/1068138850.db2.gz XMODVZBZJAKEMM-UHFFFAOYSA-N 0 0 453.185 4.597 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c(F)cc1Cl ZINC001462710840 1068138885 /nfs/dbraw/zinc/13/88/85/1068138885.db2.gz YNUOEQPGYOTDSO-SSDOTTSWSA-N 0 0 458.697 4.751 20 0 JJADRN C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)CCn2cnc3sccc3c2=O)C1 ZINC001462709618 1068138896 /nfs/dbraw/zinc/13/88/96/1068138896.db2.gz NBZXJUHTKMGHKV-LLVKDONJSA-N 0 0 455.889 4.746 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC001462708923 1068138904 /nfs/dbraw/zinc/13/89/04/1068138904.db2.gz QZGHBDRLBNXMGS-SECBINFHSA-N 0 0 454.734 4.920 20 0 JJADRN Cc1cnc(CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c(C)c1 ZINC001462711852 1068139407 /nfs/dbraw/zinc/13/94/07/1068139407.db2.gz ZDORSPTZMPNTKI-UHFFFAOYSA-N 0 0 452.352 4.952 20 0 JJADRN CC[C@@H](CS(=O)(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC)OC ZINC001462717621 1068140555 /nfs/dbraw/zinc/14/05/55/1068140555.db2.gz XTGKHTJQSQLQNW-IBGZPJMESA-N 0 0 457.548 4.543 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001462717527 1068140647 /nfs/dbraw/zinc/14/06/47/1068140647.db2.gz XSLUCVZTHVBPFV-UHFFFAOYSA-N 0 0 452.557 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2ccc3ccccc3c2)CC2(CCOCC2)C1 ZINC001462719731 1068141699 /nfs/dbraw/zinc/14/16/99/1068141699.db2.gz HHPHRWNMLQKVRA-QHCPKHFHSA-N 0 0 452.595 4.695 20 0 JJADRN C[C@H](NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1cccc2ccccc21 ZINC001462721257 1068141710 /nfs/dbraw/zinc/14/17/10/1068141710.db2.gz SLCLYAOPGAZQDW-IBGZPJMESA-N 0 0 452.576 4.621 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccnc2Sc2ccccc2)c(Cl)cc1NC(C)=O ZINC001462721326 1068142376 /nfs/dbraw/zinc/14/23/76/1068142376.db2.gz KMZNGZBWYPZQEU-UHFFFAOYSA-N 0 0 455.923 4.884 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 ZINC001462722933 1068142737 /nfs/dbraw/zinc/14/27/37/1068142737.db2.gz LNDLGEOAMSJNBC-UHFFFAOYSA-N 0 0 456.468 4.721 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001462724401 1068143432 /nfs/dbraw/zinc/14/34/32/1068143432.db2.gz RIRRMQLPCLAPHB-CJFMBICVSA-N 0 0 454.636 4.820 20 0 JJADRN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC001462726384 1068144590 /nfs/dbraw/zinc/14/45/90/1068144590.db2.gz QOJXGKBMMOGKQI-UHFFFAOYSA-N 0 0 454.982 4.538 20 0 JJADRN COc1cc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc(Cl)c1OCCC(C)C ZINC001462727995 1068145189 /nfs/dbraw/zinc/14/51/89/1068145189.db2.gz AGZGVRAUHSZCOE-LJQANCHMSA-N 0 0 454.007 4.869 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001462730588 1068145931 /nfs/dbraw/zinc/14/59/31/1068145931.db2.gz HGTPCONTVMPJDI-UHFFFAOYSA-N 0 0 453.750 4.825 20 0 JJADRN CCCOc1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)c(OC2CCCC2)c1 ZINC001462730487 1068146502 /nfs/dbraw/zinc/14/65/02/1068146502.db2.gz MXCANBYBWKZRDY-UHFFFAOYSA-N 0 0 453.514 4.840 20 0 JJADRN COc1ccc(C(=O)C(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1Cl ZINC001462733089 1068147213 /nfs/dbraw/zinc/14/72/13/1068147213.db2.gz KOEUUUOMOJOLAB-UHFFFAOYSA-N 0 0 450.638 4.629 20 0 JJADRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)C1(c2cccc(Br)c2)CCCC1 ZINC001462734774 1068147636 /nfs/dbraw/zinc/14/76/36/1068147636.db2.gz NLPGCSKTQFFJJS-HXUWFJFHSA-N 0 0 450.417 4.743 20 0 JJADRN CC[C@@H](C)c1ccc([C@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C(C)C)cc1 ZINC001462739284 1068150185 /nfs/dbraw/zinc/15/01/85/1068150185.db2.gz JGXOQACJLVKHMT-IVZQSRNASA-N 0 0 451.560 4.810 20 0 JJADRN COc1ccc(C[C@H](NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c2ccc(OC)cc2)cc1 ZINC001462740344 1068150546 /nfs/dbraw/zinc/15/05/46/1068150546.db2.gz BMBUGHGORSWZRP-AVRDEDQJSA-N 0 0 453.551 4.733 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC001462742313 1068151385 /nfs/dbraw/zinc/15/13/85/1068151385.db2.gz VQMZKVCQUABFHR-WTOJCKNJSA-N 0 0 466.759 4.637 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(OCC)cc2)c(F)cc1Cl ZINC001462743455 1068151920 /nfs/dbraw/zinc/15/19/20/1068151920.db2.gz AEKNHOFFECAPOF-IBGZPJMESA-N 0 0 455.935 4.580 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c1F ZINC001462744669 1068152591 /nfs/dbraw/zinc/15/25/91/1068152591.db2.gz OWVDRYRAIFYUSM-SFHVURJKSA-N 0 0 455.935 4.580 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CCCC1 ZINC001546134010 1068153157 /nfs/dbraw/zinc/15/31/57/1068153157.db2.gz IMKLZWHDMZJYAM-UHFFFAOYSA-N 0 0 493.574 4.819 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001546134032 1068154492 /nfs/dbraw/zinc/15/44/92/1068154492.db2.gz JCEWIRYRSCADBM-AWEZNQCLSA-N 0 0 451.434 4.848 20 0 JJADRN COc1ccc(F)cc1CCNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001462752800 1068155733 /nfs/dbraw/zinc/15/57/33/1068155733.db2.gz MSAVMHGAZYFEKA-UHFFFAOYSA-N 0 0 456.558 4.760 20 0 JJADRN CCN(C(=O)Cc1cccc(OCc2ccccc2C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462752854 1068155805 /nfs/dbraw/zinc/15/58/05/1068155805.db2.gz CUNZTQRODHSHTC-QHCPKHFHSA-N 0 0 452.595 4.974 20 0 JJADRN CC(C)(CCS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)C1CC1 ZINC001462754121 1068156461 /nfs/dbraw/zinc/15/64/61/1068156461.db2.gz ORNGETFKEAXBJW-UHFFFAOYSA-N 0 0 450.645 4.828 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001462756458 1068156940 /nfs/dbraw/zinc/15/69/40/1068156940.db2.gz MFWUAXFQJGXCDG-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN CCc1cc(S(=O)(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)c(C)cc1OC ZINC001462758006 1068157610 /nfs/dbraw/zinc/15/76/10/1068157610.db2.gz KIRMMOVBRKYDCB-UHFFFAOYSA-N 0 0 459.395 4.522 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OC)c2OC)c(OC)c1 ZINC001462758223 1068157645 /nfs/dbraw/zinc/15/76/45/1068157645.db2.gz NFCSAXDWRLDWAT-UHFFFAOYSA-N 0 0 459.502 4.826 20 0 JJADRN O=S(=O)(Oc1ccccc1C(F)(F)F)c1c(Cl)nc2ccc(Br)cn21 ZINC001462760724 1068158353 /nfs/dbraw/zinc/15/83/53/1068158353.db2.gz CKFYAXRAUDJLBX-UHFFFAOYSA-N 0 0 455.639 4.537 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC001462761580 1068158890 /nfs/dbraw/zinc/15/88/90/1068158890.db2.gz FKGJDWAAWXMZGH-MRXNPFEDSA-N 0 0 450.969 4.571 20 0 JJADRN CCCOc1ccc(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1OC ZINC001462761956 1068158987 /nfs/dbraw/zinc/15/89/87/1068158987.db2.gz PQCCTSLREPNOKR-UHFFFAOYSA-N 0 0 452.985 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001462764882 1068159630 /nfs/dbraw/zinc/15/96/30/1068159630.db2.gz BCVFXYWKYOPEKM-GFCCVEGCSA-N 0 0 456.839 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC001462766357 1068160235 /nfs/dbraw/zinc/16/02/35/1068160235.db2.gz HZPIYPZSPIGWOV-CVEARBPZSA-N 0 0 450.448 4.731 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462766601 1068160275 /nfs/dbraw/zinc/16/02/75/1068160275.db2.gz YZQFSYWQXDCNQJ-QZTJIDSGSA-N 0 0 473.358 4.720 20 0 JJADRN Cc1cc(C)c2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)ccc2n1 ZINC001462766806 1068160621 /nfs/dbraw/zinc/16/06/21/1068160621.db2.gz QLWBRQUAUMTZHA-LJQANCHMSA-N 0 0 451.592 4.975 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001462766986 1068160637 /nfs/dbraw/zinc/16/06/37/1068160637.db2.gz QLBUNDJVWPVAKV-JOCHJYFZSA-N 0 0 459.951 4.593 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)c(F)cc1Cl ZINC001462774679 1068164277 /nfs/dbraw/zinc/16/42/77/1068164277.db2.gz CAGJFHMFFBVXKS-UHFFFAOYSA-N 0 0 451.859 4.611 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)cc2)ccn1 ZINC001462775123 1068164365 /nfs/dbraw/zinc/16/43/65/1068164365.db2.gz GNOOYPGDRSTUPH-INIZCTEOSA-N 0 0 451.910 4.779 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1Br ZINC001462777709 1068165316 /nfs/dbraw/zinc/16/53/16/1068165316.db2.gz NTHHZOKGQCSCRY-UHFFFAOYSA-N 0 0 450.310 4.803 20 0 JJADRN O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001462777749 1068165389 /nfs/dbraw/zinc/16/53/89/1068165389.db2.gz MHKVNAYKVLGPNM-FQEVSTJZSA-N 0 0 457.368 4.781 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NCC2(c3ccccc3)CCCC2)cc1Cl ZINC001462777743 1068165418 /nfs/dbraw/zinc/16/54/18/1068165418.db2.gz PTQDSOZUDYDSCF-UHFFFAOYSA-N 0 0 458.407 4.809 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc2ccccc21 ZINC001462784913 1068166997 /nfs/dbraw/zinc/16/69/97/1068166997.db2.gz MDMZUPVSMMAPCW-GOSISDBHSA-N 0 0 455.392 4.553 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC001462782972 1068167071 /nfs/dbraw/zinc/16/70/71/1068167071.db2.gz PQESKUUTFFXPIU-UHFFFAOYSA-N 0 0 455.440 4.666 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1cccc2ccccc21 ZINC001462788726 1068167911 /nfs/dbraw/zinc/16/79/11/1068167911.db2.gz XZLBAGRXPNCRIY-QFIPXVFZSA-N 0 0 451.320 4.657 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)c1ccc(F)cc1F ZINC001462792222 1068168386 /nfs/dbraw/zinc/16/83/86/1068168386.db2.gz QTVCFJMURUHKTR-QFBILLFUSA-N 0 0 452.295 4.568 20 0 JJADRN CCc1nc(COc2ccc(C(=O)NCc3cc(Br)ccc3Cl)cc2)no1 ZINC001462794126 1068169564 /nfs/dbraw/zinc/16/95/64/1068169564.db2.gz KOVZNAFLMGKRCF-UHFFFAOYSA-N 0 0 450.720 4.557 20 0 JJADRN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccnc2N2CCOCC2)c(C(C)C)c1 ZINC001462796867 1068170089 /nfs/dbraw/zinc/17/00/89/1068170089.db2.gz NQYHFCRBSYAOJR-UHFFFAOYSA-N 0 0 459.656 4.767 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)NCc1cc(Br)ccc1Cl ZINC001462797026 1068170599 /nfs/dbraw/zinc/17/05/99/1068170599.db2.gz UFVRXQNWCMYGPI-UHFFFAOYSA-N 0 0 456.724 4.700 20 0 JJADRN CCC(C)(C)C1CCC(NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001462797837 1068170628 /nfs/dbraw/zinc/17/06/28/1068170628.db2.gz WBIAGTNUEQMGKG-ITAUSPCMSA-N 0 0 450.645 4.560 20 0 JJADRN CCC(C)(C)C1CCC(NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001462797835 1068170723 /nfs/dbraw/zinc/17/07/23/1068170723.db2.gz WBIAGTNUEQMGKG-HWELCPFYSA-N 0 0 450.645 4.560 20 0 JJADRN COC[C@@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)[C@H]1CCCOC1 ZINC001462803504 1068171751 /nfs/dbraw/zinc/17/17/51/1068171751.db2.gz GFMFCURIGQYFPV-SIKLNZKXSA-N 0 0 453.970 4.673 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)Oc1ccc(-c2nc(C)cs2)cc1 ZINC001462805457 1068172305 /nfs/dbraw/zinc/17/23/05/1068172305.db2.gz FWXXDUFHFQPSAM-UHFFFAOYSA-N 0 0 454.367 4.966 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC001462804326 1068172340 /nfs/dbraw/zinc/17/23/40/1068172340.db2.gz GQJUKHQBTJKXFX-UHFFFAOYSA-N 0 0 459.589 4.566 20 0 JJADRN C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001462809546 1068172777 /nfs/dbraw/zinc/17/27/77/1068172777.db2.gz PVBMUPAOILWDLN-ZDUSSCGKSA-N 0 0 454.317 4.883 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)Cc1sc(CC(F)(F)F)nc1C)CC2 ZINC001462809079 1068172949 /nfs/dbraw/zinc/17/29/49/1068172949.db2.gz UBVVOEQEOMPLRX-UHFFFAOYSA-N 0 0 454.514 4.580 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H]1CC2(CCC2)CO1)c1cccc(Cl)c1Cl ZINC001462810855 1068173364 /nfs/dbraw/zinc/17/33/64/1068173364.db2.gz AUWCPWKSXUFGGY-KSSFIOAISA-N 0 0 457.398 4.977 20 0 JJADRN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCCc2cc(F)ccc21 ZINC001462814231 1068174429 /nfs/dbraw/zinc/17/44/29/1068174429.db2.gz FJNLOMTYDNAGQR-UHFFFAOYSA-N 0 0 453.358 4.853 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)Cc2cc(Cl)ccc2Br)c1 ZINC001462813504 1068174536 /nfs/dbraw/zinc/17/45/36/1068174536.db2.gz MLFRZJUFSODNAH-UHFFFAOYSA-N 0 0 454.752 4.703 20 0 JJADRN CN(C)Cc1csc(CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)n1 ZINC001462819462 1068175713 /nfs/dbraw/zinc/17/57/13/1068175713.db2.gz SRTCGLXUHYECGX-UHFFFAOYSA-N 0 0 454.546 4.880 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC001462816860 1068175768 /nfs/dbraw/zinc/17/57/68/1068175768.db2.gz NILRPUVYAKEDHV-WBMJQRKESA-N 0 0 455.354 4.552 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2cccc(Br)c2C)ccc1OCC(C)C ZINC001462819194 1068175779 /nfs/dbraw/zinc/17/57/79/1068175779.db2.gz VNNWRDBLSQPMNW-HNNXBMFYSA-N 0 0 456.402 4.840 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC=CCC1 ZINC001462820958 1068176273 /nfs/dbraw/zinc/17/62/73/1068176273.db2.gz OKVWZTZFGMYYTK-SFHVURJKSA-N 0 0 453.377 4.639 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC001462820546 1068176303 /nfs/dbraw/zinc/17/63/03/1068176303.db2.gz XJRJPFVISZFABB-PXAZEXFGSA-N 0 0 457.470 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC001462821465 1068176861 /nfs/dbraw/zinc/17/68/61/1068176861.db2.gz DXJAZIQBKTUUOB-ZFWWWQNUSA-N 0 0 455.304 4.840 20 0 JJADRN O=C(N1CCc2ccc(Br)c(F)c2C1)C1(c2ccc(Br)cc2)CC1 ZINC001462822455 1068177403 /nfs/dbraw/zinc/17/74/03/1068177403.db2.gz DOPNHAWMDAQVOY-UHFFFAOYSA-N 0 0 453.149 4.967 20 0 JJADRN CCN(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC001462825322 1068178465 /nfs/dbraw/zinc/17/84/65/1068178465.db2.gz PRNDKCRXAOUIQR-UHFFFAOYSA-N 0 0 453.185 4.975 20 0 JJADRN CC(C)Oc1cccc(OS(=O)(=O)c2scc(Br)c2Br)c1 ZINC001462825361 1068178497 /nfs/dbraw/zinc/17/84/97/1068178497.db2.gz QOFLISJYBGUJQQ-UHFFFAOYSA-N 0 0 456.177 4.828 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC001462826348 1068179058 /nfs/dbraw/zinc/17/90/58/1068179058.db2.gz PSQLIZMSRYZOHV-GUYCJALGSA-N 0 0 457.880 4.806 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001462827865 1068180163 /nfs/dbraw/zinc/18/01/63/1068180163.db2.gz WZUDHBGIBJHRJJ-FQEVSTJZSA-N 0 0 451.032 4.762 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC001462828544 1068180191 /nfs/dbraw/zinc/18/01/91/1068180191.db2.gz WBOKJWHDQZNDIV-HUUCEWRRSA-N 0 0 454.411 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001462827758 1068180259 /nfs/dbraw/zinc/18/02/59/1068180259.db2.gz STCFZMFOXYZYPV-RTBURBONSA-N 0 0 456.505 4.926 20 0 JJADRN CCC1(Cn2c(-c3ccccc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCOCC1 ZINC001546134423 1068183105 /nfs/dbraw/zinc/18/31/05/1068183105.db2.gz WUZLVFRDJPDWCF-JOCHJYFZSA-N 0 0 466.548 4.682 20 0 JJADRN O=S(=O)(NCc1ccc(COc2ccccc2)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001462833588 1068183243 /nfs/dbraw/zinc/18/32/43/1068183243.db2.gz HTNRDDMCKUPHCI-UHFFFAOYSA-N 0 0 456.873 4.811 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)s1 ZINC001462834091 1068183764 /nfs/dbraw/zinc/18/37/64/1068183764.db2.gz UNEMZTQXJMGECF-SFHVURJKSA-N 0 0 453.054 4.849 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)NCc3ccccc3COCc3ccccc3)cc(Cl)c2O1 ZINC001462834782 1068183846 /nfs/dbraw/zinc/18/38/46/1068183846.db2.gz UHCMJUKECDBSDY-KRWDZBQOSA-N 0 0 457.979 4.859 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001462836415 1068184450 /nfs/dbraw/zinc/18/44/50/1068184450.db2.gz MVJHQPLIPSRIEM-UHFFFAOYSA-N 0 0 453.541 4.959 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N(CCO)Cc2ccc(Br)s2)CC1 ZINC001546134450 1068184565 /nfs/dbraw/zinc/18/45/65/1068184565.db2.gz XLKUYPIOFQNNQE-UHFFFAOYSA-N 0 0 491.455 4.967 20 0 JJADRN O=C(c1ccccc1F)N1CCC(NS(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001462836930 1068185070 /nfs/dbraw/zinc/18/50/70/1068185070.db2.gz VIBSWPKVRCPUHV-UHFFFAOYSA-N 0 0 458.599 4.598 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)C3(c4ccccc4Br)CCCCC3)O2)[C@H]1C ZINC001462838666 1068185823 /nfs/dbraw/zinc/18/58/23/1068185823.db2.gz HTGSADBYFZVVRS-DWKCODDLSA-N 0 0 450.417 4.740 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001462840502 1068186279 /nfs/dbraw/zinc/18/62/79/1068186279.db2.gz JKJVRWSEXYEDBK-HSZRJFAPSA-N 0 0 454.661 4.951 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462841847 1068186750 /nfs/dbraw/zinc/18/67/50/1068186750.db2.gz DFNGTNVMRGMTKB-NVXWUHKLSA-N 0 0 475.586 4.681 20 0 JJADRN O=S(=O)(CCc1cccc(Cl)c1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001462841757 1068186854 /nfs/dbraw/zinc/18/68/54/1068186854.db2.gz BPCRNJAANFPBPT-QFIPXVFZSA-N 0 0 457.958 4.732 20 0 JJADRN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001462841425 1068186873 /nfs/dbraw/zinc/18/68/73/1068186873.db2.gz AEAXUDWQFQEOHE-UHFFFAOYSA-N 0 0 454.445 4.825 20 0 JJADRN CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001462841390 1068186921 /nfs/dbraw/zinc/18/69/21/1068186921.db2.gz PHJHCFLXPPALSY-UHFFFAOYSA-N 0 0 450.807 4.774 20 0 JJADRN CCCCOc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)cc1 ZINC001462847465 1068189386 /nfs/dbraw/zinc/18/93/86/1068189386.db2.gz IKOJUSDJLRBBJF-UHFFFAOYSA-N 0 0 451.894 4.939 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC001462849775 1068189957 /nfs/dbraw/zinc/18/99/57/1068189957.db2.gz IPPBXTPHMZGVAP-QGZVFWFLSA-N 0 0 457.596 4.608 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001462851643 1068190474 /nfs/dbraw/zinc/19/04/74/1068190474.db2.gz SLMAHOXUBCAIEN-UHFFFAOYSA-N 0 0 458.440 4.765 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 ZINC001462852621 1068191118 /nfs/dbraw/zinc/19/11/18/1068191118.db2.gz WKFIYMVAPGTGON-HNNXBMFYSA-N 0 0 453.988 4.856 20 0 JJADRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001462853574 1068191719 /nfs/dbraw/zinc/19/17/19/1068191719.db2.gz ZZKYNBVTHIZUJK-LLVKDONJSA-N 0 0 458.765 4.801 20 0 JJADRN COc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)ccn2)cc1 ZINC001462854788 1068191771 /nfs/dbraw/zinc/19/17/71/1068191771.db2.gz QMYQFFPRBVETSS-UHFFFAOYSA-N 0 0 452.454 4.688 20 0 JJADRN COC(=O)c1cc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)ccc1SC ZINC001462855410 1068192431 /nfs/dbraw/zinc/19/24/31/1068192431.db2.gz MSGNQSZTHWJGGT-UHFFFAOYSA-N 0 0 459.930 4.914 20 0 JJADRN CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)c1 ZINC001462855883 1068192448 /nfs/dbraw/zinc/19/24/48/1068192448.db2.gz XHLKAVJMJSNSDT-LBPRGKRZSA-N 0 0 459.793 4.566 20 0 JJADRN CSc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC001462855947 1068192513 /nfs/dbraw/zinc/19/25/13/1068192513.db2.gz SUSSWECZCGCWPW-UHFFFAOYSA-N 0 0 454.978 4.662 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)OC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001462855951 1068192924 /nfs/dbraw/zinc/19/29/24/1068192924.db2.gz SWBRNZPCALKDGP-UHFFFAOYSA-N 0 0 457.527 4.508 20 0 JJADRN CC[C@@H](C)NC(=O)c1cccc(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC001462856218 1068193045 /nfs/dbraw/zinc/19/30/45/1068193045.db2.gz YCWQLLHTSJMNFW-OAHLLOKOSA-N 0 0 459.637 4.601 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)NCc2cc(Br)cs2)c(Br)c1 ZINC001462859763 1068194013 /nfs/dbraw/zinc/19/40/13/1068194013.db2.gz HWQIFOLVYSPNGS-UHFFFAOYSA-N 0 0 459.612 4.713 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001462863073 1068195122 /nfs/dbraw/zinc/19/51/22/1068195122.db2.gz UGGBCKSIRRACPI-INIZCTEOSA-N 0 0 454.315 4.872 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC001462862821 1068195261 /nfs/dbraw/zinc/19/52/61/1068195261.db2.gz WSPUWBRSIHWGSO-UHFFFAOYSA-N 0 0 450.919 4.685 20 0 JJADRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cl)c2)s1 ZINC001462865388 1068195672 /nfs/dbraw/zinc/19/56/72/1068195672.db2.gz WUPCSQNMSYTXDA-IBGZPJMESA-N 0 0 455.045 4.632 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)c2ccccc12 ZINC001462865287 1068195745 /nfs/dbraw/zinc/19/57/45/1068195745.db2.gz LEAJVWKPXYQSIJ-UHFFFAOYSA-N 0 0 459.365 4.528 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)CC2Cc3ccccc3C2)ccc1OCc1ccccc1 ZINC001462866610 1068196303 /nfs/dbraw/zinc/19/63/03/1068196303.db2.gz CUXJAXXHRDCEOT-LJQANCHMSA-N 0 0 451.588 4.670 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N=[S@@](C)(=O)C3CCCCC3)CC2)c2ccccc12 ZINC001462867114 1068196766 /nfs/dbraw/zinc/19/67/66/1068196766.db2.gz CAGRTKPWKSMSQB-YTTGMZPUSA-N 0 0 456.608 4.658 20 0 JJADRN C[C@@H]1Cc2cccc(S(=O)(=O)N(Cc3cccnc3)c3ccc(Br)cc3)c2O1 ZINC001462868382 1068196777 /nfs/dbraw/zinc/19/67/77/1068196777.db2.gz JAHGMVADXNBSHJ-OAHLLOKOSA-N 0 0 459.365 4.563 20 0 JJADRN C[S@@](=O)(=NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001462868071 1068196800 /nfs/dbraw/zinc/19/68/00/1068196800.db2.gz CEPRQBMBYHLWPX-DEOSSOPVSA-N 0 0 459.324 4.827 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@H]1CCCCO1)N(Cc1cccc(F)c1)C1CC1 ZINC001462870064 1068197884 /nfs/dbraw/zinc/19/78/84/1068197884.db2.gz LWWAOOWGHBGIAX-HXUWFJFHSA-N 0 0 453.963 4.780 20 0 JJADRN COC(=O)Cc1cccc(S(=O)(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001462873351 1068198494 /nfs/dbraw/zinc/19/84/94/1068198494.db2.gz AOZDDFLWFXHIAX-UHFFFAOYSA-N 0 0 458.407 4.946 20 0 JJADRN Cc1ccc2nc(NC(=O)CCCCc3ccc(I)cc3)sc2n1 ZINC001462874888 1068199092 /nfs/dbraw/zinc/19/90/92/1068199092.db2.gz IGHCNOAFWIFWFF-UHFFFAOYSA-N 0 0 451.333 4.956 20 0 JJADRN Cn1ccc2cccc(S(=O)(=O)N(Cc3cccnc3)c3ccc(Br)cc3)c21 ZINC001462874528 1068199111 /nfs/dbraw/zinc/19/91/11/1068199111.db2.gz SMNUUNPQIBGDFV-UHFFFAOYSA-N 0 0 456.365 4.731 20 0 JJADRN O=S(=O)(c1ccc(I)s1)N1CCC[C@@H]1c1ccccc1Cl ZINC001462876467 1068199447 /nfs/dbraw/zinc/19/94/47/1068199447.db2.gz WUWDIPZNPFPMFR-GFCCVEGCSA-N 0 0 453.754 4.532 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N=[S@](C)(=O)c2ccccc2Br)cc1 ZINC001462875442 1068199514 /nfs/dbraw/zinc/19/95/14/1068199514.db2.gz XASZZGVXSZIBAK-HHHXNRCGSA-N 0 0 451.386 4.618 20 0 JJADRN Cc1ccc2nc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)sc2n1 ZINC001462879768 1068201252 /nfs/dbraw/zinc/20/12/52/1068201252.db2.gz YYGLJCLZFJAZGY-UHFFFAOYSA-N 0 0 455.893 4.922 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)cc1F ZINC001462881339 1068201733 /nfs/dbraw/zinc/20/17/33/1068201733.db2.gz CFPZELJQDDESRT-UHFFFAOYSA-N 0 0 451.420 4.514 20 0 JJADRN CO[C@@H](CS(=O)(=O)N(CCC(C)C)Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC001462882179 1068202182 /nfs/dbraw/zinc/20/21/82/1068202182.db2.gz ZCWVETJOCQMCAW-FQEVSTJZSA-N 0 0 452.444 4.613 20 0 JJADRN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001462883428 1068202680 /nfs/dbraw/zinc/20/26/80/1068202680.db2.gz GZQGBLLCNIBZTG-UHFFFAOYSA-N 0 0 453.392 4.635 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC001462888768 1068204403 /nfs/dbraw/zinc/20/44/03/1068204403.db2.gz WLJWNGBACKHWCL-UHFFFAOYSA-N 0 0 454.592 4.602 20 0 JJADRN O=C(OCc1ccccc1I)c1cnc(Cc2ccc(F)cc2)s1 ZINC001462890544 1068204463 /nfs/dbraw/zinc/20/44/63/1068204463.db2.gz OYAIHAXMRIGSKV-UHFFFAOYSA-N 0 0 453.276 4.835 20 0 JJADRN O=S(=O)(NCCOc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 ZINC001462889565 1068204489 /nfs/dbraw/zinc/20/44/89/1068204489.db2.gz ZYIRDUASSWFVIK-UHFFFAOYSA-N 0 0 452.359 4.930 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(Br)ccc2C(C)=O)c1 ZINC001462889162 1068204517 /nfs/dbraw/zinc/20/45/17/1068204517.db2.gz OSKFYZCJIAXPKL-UHFFFAOYSA-N 0 0 457.118 4.684 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001462890971 1068204816 /nfs/dbraw/zinc/20/48/16/1068204816.db2.gz OKQPBKBKWSUMDL-UHFFFAOYSA-N 0 0 458.946 4.671 20 0 JJADRN O=S(=O)(c1c2ncsc2ccc1Cl)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001462891831 1068204862 /nfs/dbraw/zinc/20/48/62/1068204862.db2.gz ZSMMVNWTIDIEPG-OCAPTIKFSA-N 0 0 452.829 4.701 20 0 JJADRN Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001462892301 1068205548 /nfs/dbraw/zinc/20/55/48/1068205548.db2.gz QJEJATREWXDTNG-NSHDSACASA-N 0 0 453.185 4.810 20 0 JJADRN Cc1cc(C(=O)OCc2ccccc2I)cc(C(=O)OC(C)(C)C)c1 ZINC001462896801 1068207013 /nfs/dbraw/zinc/20/70/13/1068207013.db2.gz WDSYGWWPDBVCBB-UHFFFAOYSA-N 0 0 452.288 4.912 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1c(Cl)nc2sccn21 ZINC001462895846 1068207125 /nfs/dbraw/zinc/20/71/25/1068207125.db2.gz YNWOHUBERILRDR-MRXNPFEDSA-N 0 0 452.388 4.965 20 0 JJADRN O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc(C(F)(F)F)cn1 ZINC001462896600 1068207144 /nfs/dbraw/zinc/20/71/44/1068207144.db2.gz CIGLZDGGSPDJGQ-UHFFFAOYSA-N 0 0 452.420 4.910 20 0 JJADRN CC(C)Oc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001462897975 1068207600 /nfs/dbraw/zinc/20/76/00/1068207600.db2.gz GJHNTWFZJOZAJD-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)CCCCC2)cc1 ZINC001462897204 1068207705 /nfs/dbraw/zinc/20/77/05/1068207705.db2.gz MEPPSNQAYWZKKX-UHFFFAOYSA-N 0 0 457.514 4.915 20 0 JJADRN C[C@@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(OCC(F)(F)F)cc1 ZINC001462901380 1068209318 /nfs/dbraw/zinc/20/93/18/1068209318.db2.gz YAAJVGKYGPTDFD-SNVBAGLBSA-N 0 0 456.255 4.569 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CCOc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135037 1068209901 /nfs/dbraw/zinc/20/99/01/1068209901.db2.gz MHMKHVQNBOLDGS-GCJKJVERSA-N 0 0 453.341 4.768 20 0 JJADRN Cc1cnc(Br)c(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 ZINC001462905669 1068210913 /nfs/dbraw/zinc/21/09/13/1068210913.db2.gz GDRNZFMADRIGMQ-NRFANRHFSA-N 0 0 454.368 4.628 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462908590 1068210922 /nfs/dbraw/zinc/21/09/22/1068210922.db2.gz AGDOGKBRMBQATH-UHFFFAOYSA-N 0 0 453.608 4.847 20 0 JJADRN CO[C@@H](CS(=O)(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C)C1CCOCC1 ZINC001462910693 1068211747 /nfs/dbraw/zinc/21/17/47/1068211747.db2.gz RQFFMSYBEUUQIL-NRFANRHFSA-N 0 0 455.617 4.536 20 0 JJADRN CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001462912152 1068212176 /nfs/dbraw/zinc/21/21/76/1068212176.db2.gz ZPSYPSLHNGZGQG-HKUYNNGSSA-N 0 0 450.601 4.935 20 0 JJADRN O=S(=O)(c1ccc(F)c(Br)c1F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC001462911578 1068212253 /nfs/dbraw/zinc/21/22/53/1068212253.db2.gz LWCZCTMBFZFUPF-GFCCVEGCSA-N 0 0 450.732 4.777 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)Nc3cc(Br)ccc3C3=NCCO3)cc2)c1 ZINC001462920114 1068214854 /nfs/dbraw/zinc/21/48/54/1068214854.db2.gz SZCXSDLOEKETDG-UHFFFAOYSA-N 0 0 452.308 4.974 20 0 JJADRN CCC[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1 ZINC001462927376 1068217196 /nfs/dbraw/zinc/21/71/96/1068217196.db2.gz NYVZBJISDDOANC-LPHOPBHVSA-N 0 0 450.428 4.730 20 0 JJADRN CC(C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC001462929107 1068217640 /nfs/dbraw/zinc/21/76/40/1068217640.db2.gz UEIILKFCNGSPPR-UHFFFAOYSA-N 0 0 450.771 4.674 20 0 JJADRN CCn1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)c1Cl ZINC001462927627 1068217656 /nfs/dbraw/zinc/21/76/56/1068217656.db2.gz XXBPQSRYDWIKTB-UHFFFAOYSA-N 0 0 457.621 4.741 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001462930138 1068218110 /nfs/dbraw/zinc/21/81/10/1068218110.db2.gz KHCPGAJAHLIZHJ-QGZVFWFLSA-N 0 0 454.533 4.659 20 0 JJADRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)S(=O)(=O)c1nc[nH]c1Br ZINC001462930335 1068218201 /nfs/dbraw/zinc/21/82/01/1068218201.db2.gz ZZABWXAOYBOSLN-UHFFFAOYSA-N 0 0 458.378 4.639 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c(Cl)n1 ZINC001462930579 1068218648 /nfs/dbraw/zinc/21/86/48/1068218648.db2.gz QQSYFUYQFVQCNE-GOSISDBHSA-N 0 0 451.773 4.874 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001462931467 1068219172 /nfs/dbraw/zinc/21/91/72/1068219172.db2.gz PUCDIGVIGVDIJN-MOPGFXCFSA-N 0 0 456.558 4.769 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001462931529 1068219329 /nfs/dbraw/zinc/21/93/29/1068219329.db2.gz QIDSVSSAGJDTQT-HNNXBMFYSA-N 0 0 453.489 4.857 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N[C@H](C)COCC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462932328 1068219892 /nfs/dbraw/zinc/21/98/92/1068219892.db2.gz RGCQLNGMQRBVFY-ICPLQIHGSA-N 0 0 452.998 4.879 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(CCc1ccc(F)cc1)CC(C)C ZINC001462932995 1068220368 /nfs/dbraw/zinc/22/03/68/1068220368.db2.gz BNWYWGCDARHYIQ-UHFFFAOYSA-N 0 0 458.393 4.795 20 0 JJADRN CCOc1c(OC)cc(CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)cc1OC ZINC001462938919 1068222095 /nfs/dbraw/zinc/22/20/95/1068222095.db2.gz ZTQOXBBEXRQSBW-UHFFFAOYSA-N 0 0 459.589 4.732 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21)c1c(F)cccc1F ZINC001462939390 1068222264 /nfs/dbraw/zinc/22/22/64/1068222264.db2.gz ZJBWWQZSTJZEID-INIZCTEOSA-N 0 0 456.411 4.755 20 0 JJADRN CC(=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1Cl ZINC001462943647 1068223308 /nfs/dbraw/zinc/22/33/08/1068223308.db2.gz ZOFROCRIQRQRLK-SFHVURJKSA-N 0 0 450.716 4.515 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1Br ZINC001462945977 1068224460 /nfs/dbraw/zinc/22/44/60/1068224460.db2.gz CABCRMPEDTXLND-SJLPKXTDSA-N 0 0 458.443 4.916 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c2cc(F)c(F)cc2O1 ZINC001462946575 1068224534 /nfs/dbraw/zinc/22/45/34/1068224534.db2.gz LCRVTOBXXSYKGD-YESZJQIVSA-N 0 0 458.505 4.561 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1Br ZINC001462945973 1068224579 /nfs/dbraw/zinc/22/45/79/1068224579.db2.gz CABCRMPEDTXLND-FUHWJXTLSA-N 0 0 458.443 4.916 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC(NC(=O)C(C)C)CC2)CCOCC1 ZINC001546135669 1068225708 /nfs/dbraw/zinc/22/57/08/1068225708.db2.gz CIFNBQFXGDDUSW-UHFFFAOYSA-N 0 0 474.049 4.546 20 0 JJADRN CCC1(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546135688 1068226377 /nfs/dbraw/zinc/22/63/77/1068226377.db2.gz CVDKYIDDORLLEO-IBGZPJMESA-N 0 0 487.620 4.642 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC001462954650 1068228118 /nfs/dbraw/zinc/22/81/18/1068228118.db2.gz NMBVECSCBPMNDK-HNNXBMFYSA-N 0 0 456.793 4.912 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462953974 1068228197 /nfs/dbraw/zinc/22/81/97/1068228197.db2.gz KDFSGBSPXUFTQV-ZEQRLZLVSA-N 0 0 458.624 4.981 20 0 JJADRN CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001462954338 1068228212 /nfs/dbraw/zinc/22/82/12/1068228212.db2.gz ODSGFUVYUQSMRU-QGZVFWFLSA-N 0 0 456.530 4.707 20 0 JJADRN Cc1nc(-c2ccc(CNS(=O)(=O)Cc3cccc(F)c3Br)cc2)cs1 ZINC001462957346 1068229431 /nfs/dbraw/zinc/22/94/31/1068229431.db2.gz FDKTYTFFTMQVPZ-UHFFFAOYSA-N 0 0 455.374 4.640 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2cccc3ccc(N4CCCC4)nc32)c(Cl)c1Cl ZINC001462956561 1068229608 /nfs/dbraw/zinc/22/96/08/1068229608.db2.gz ZMURYDXJDCQNLZ-UHFFFAOYSA-N 0 0 453.347 4.918 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 ZINC001462959754 1068230233 /nfs/dbraw/zinc/23/02/33/1068230233.db2.gz BEZCXKJGKLZAIY-BUXKBTBVSA-N 0 0 458.274 4.776 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001462964291 1068230788 /nfs/dbraw/zinc/23/07/88/1068230788.db2.gz CVYOENLMIQCORA-IBGZPJMESA-N 0 0 454.386 4.771 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)/C=C\c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462965095 1068231501 /nfs/dbraw/zinc/23/15/01/1068231501.db2.gz OYKLSTVXEVAJPE-GDWUOILNSA-N 0 0 456.258 4.686 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cncc(-c2cccc(C)c2)c1)c1cccc(Br)c1 ZINC001462967557 1068232106 /nfs/dbraw/zinc/23/21/06/1068232106.db2.gz XNRLJHQUWFVFOD-HSZRJFAPSA-N 0 0 453.336 4.638 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc2scnc2c1)c1ccc(Br)c(Cl)c1 ZINC001462966798 1068232131 /nfs/dbraw/zinc/23/21/31/1068232131.db2.gz VYFMYOFUIDKAKG-MRXNPFEDSA-N 0 0 453.745 4.746 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC001462969245 1068232787 /nfs/dbraw/zinc/23/27/87/1068232787.db2.gz IEEAZMYYFMPRAI-IBGZPJMESA-N 0 0 455.649 4.830 20 0 JJADRN CN(C)c1cc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc(C(F)(F)F)c1 ZINC001462968170 1068232828 /nfs/dbraw/zinc/23/28/28/1068232828.db2.gz NKILQRQKVWPXFY-UHFFFAOYSA-N 0 0 458.477 4.879 20 0 JJADRN CN(C)c1cccc(CCC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001462971134 1068233328 /nfs/dbraw/zinc/23/33/28/1068233328.db2.gz AOOFPHSZXGPWQN-NRFANRHFSA-N 0 0 451.611 4.806 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC001462971230 1068233405 /nfs/dbraw/zinc/23/34/05/1068233405.db2.gz BTWDTOJUNUQCLO-LJQANCHMSA-N 0 0 458.562 4.878 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NC3(c4ncc(Br)cn4)CCC3)cs2)cc1 ZINC001462970946 1068233546 /nfs/dbraw/zinc/23/35/46/1068233546.db2.gz PRKXDQRPILIQBI-UHFFFAOYSA-N 0 0 457.397 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)c2cncc(Cl)c2)c2ccccc21 ZINC001462974208 1068234469 /nfs/dbraw/zinc/23/44/69/1068234469.db2.gz GKZUTZDGUSAVJH-HKUYNNGSSA-N 0 0 457.958 4.505 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001462974128 1068234576 /nfs/dbraw/zinc/23/45/76/1068234576.db2.gz WNAXIMZGJLUKOM-CZUORRHYSA-N 0 0 456.873 4.750 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001462975366 1068235019 /nfs/dbraw/zinc/23/50/19/1068235019.db2.gz KXADIFIJSAFXPH-UZTOHYMASA-N 0 0 450.579 4.847 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](CS(=O)(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC001462976427 1068235533 /nfs/dbraw/zinc/23/55/33/1068235533.db2.gz PVQKBOKCWAKYJS-LADGPHEKSA-N 0 0 456.608 4.592 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](CS(=O)(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC001462976428 1068235702 /nfs/dbraw/zinc/23/57/02/1068235702.db2.gz PVQKBOKCWAKYJS-UPVQGACJSA-N 0 0 456.608 4.592 20 0 JJADRN O=S(=O)(c1cccc(I)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC001462981351 1068238096 /nfs/dbraw/zinc/23/80/96/1068238096.db2.gz INHXMBPBKSVKEX-LJQANCHMSA-N 0 0 453.345 4.522 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CC[C@@H]1c1ccc(C)o1 ZINC001462981630 1068238154 /nfs/dbraw/zinc/23/81/54/1068238154.db2.gz YCRANPUIRHSXBW-QZTJIDSGSA-N 0 0 453.461 4.974 20 0 JJADRN O=S(=O)(c1cccc(I)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC001462981350 1068238188 /nfs/dbraw/zinc/23/81/88/1068238188.db2.gz INHXMBPBKSVKEX-IBGZPJMESA-N 0 0 453.345 4.522 20 0 JJADRN CN1c2cc(NC(=O)C3(c4ccc(Br)cc4)CCC3)ccc2OCC(C)(C)C1=O ZINC001462983039 1068239268 /nfs/dbraw/zinc/23/92/68/1068239268.db2.gz YECKTRJBTVIQMZ-UHFFFAOYSA-N 0 0 457.368 4.891 20 0 JJADRN CC(C)c1nccnc1NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001462983760 1068239336 /nfs/dbraw/zinc/23/93/36/1068239336.db2.gz RMICQWOKHNMKIN-UHFFFAOYSA-N 0 0 451.577 4.849 20 0 JJADRN CCN(Cc1c(F)cccc1F)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC001462987382 1068241181 /nfs/dbraw/zinc/24/11/81/1068241181.db2.gz ZXXGSUOVELBYTN-UHFFFAOYSA-N 0 0 458.246 4.957 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Br)cc1C(F)(F)F ZINC001462987849 1068241206 /nfs/dbraw/zinc/24/12/06/1068241206.db2.gz BRFCYFPCIBVERV-NSHDSACASA-N 0 0 459.237 4.907 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC001462989380 1068241543 /nfs/dbraw/zinc/24/15/43/1068241543.db2.gz PFDHFTJAGZVCCY-QHCPKHFHSA-N 0 0 459.587 4.599 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001546135624 1068241583 /nfs/dbraw/zinc/24/15/83/1068241583.db2.gz AQPRUWVWMYXQJO-NRFANRHFSA-N 0 0 452.521 4.674 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001462992041 1068242234 /nfs/dbraw/zinc/24/22/34/1068242234.db2.gz NRSFOUVMFXUMRU-NRFANRHFSA-N 0 0 451.514 4.820 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)CC[C@H]2CCc3ccccc32)cc1OC ZINC001462994253 1068242770 /nfs/dbraw/zinc/24/27/70/1068242770.db2.gz XNMHPLNHAOTGCW-DHIUTWEWSA-N 0 0 457.636 4.941 20 0 JJADRN CCc1onc(C)c1CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001462998370 1068243963 /nfs/dbraw/zinc/24/39/63/1068243963.db2.gz DTKTWDDYIGXQAG-UHFFFAOYSA-N 0 0 458.301 4.583 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC001463000080 1068244334 /nfs/dbraw/zinc/24/43/34/1068244334.db2.gz ICNYFQZMUHLYOC-UHFFFAOYSA-N 0 0 453.333 4.762 20 0 JJADRN CCc1onc(C)c1CNC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001462999775 1068244444 /nfs/dbraw/zinc/24/44/44/1068244444.db2.gz ONIBOCMPIGKPCE-UHFFFAOYSA-N 0 0 459.340 4.826 20 0 JJADRN CCOc1ccccc1CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463001798 1068245800 /nfs/dbraw/zinc/24/58/00/1068245800.db2.gz LAYMYHKILINUGZ-UHFFFAOYSA-N 0 0 453.185 4.676 20 0 JJADRN CCC[C@@H](Cc1ccccc1)N(CCC)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463004649 1068246250 /nfs/dbraw/zinc/24/62/50/1068246250.db2.gz KTRGGRBCHQCXQZ-LOSJGSFVSA-N 0 0 456.652 4.744 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001463004951 1068246773 /nfs/dbraw/zinc/24/67/73/1068246773.db2.gz CBLXKPUJVGZYIO-UHFFFAOYSA-N 0 0 453.491 4.716 20 0 JJADRN COC(=O)[C@@]1(C(=O)NCc2c(Cl)cc(Br)cc2Cl)C[C@H]1c1ccccc1 ZINC001463007755 1068248180 /nfs/dbraw/zinc/24/81/80/1068248180.db2.gz FGHRNSCGRMWRDH-LIRRHRJNSA-N 0 0 457.151 4.719 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)c2cccc(C(N)=O)c2)[C@@H]1C ZINC001463009261 1068249248 /nfs/dbraw/zinc/24/92/48/1068249248.db2.gz LCZSMWBKZKOOST-PZPWOCDFSA-N 0 0 452.979 4.594 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CC[C@H](COCCOC)C2)CCC1 ZINC001546135815 1068249302 /nfs/dbraw/zinc/24/93/02/1068249302.db2.gz GZMQQTDZTBKCRY-SFHVURJKSA-N 0 0 477.447 4.777 20 0 JJADRN CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463008967 1068249381 /nfs/dbraw/zinc/24/93/81/1068249381.db2.gz WZXLMTTVLVENTB-GOSISDBHSA-N 0 0 453.988 4.752 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)NCC[C@@H]2OCCc3ccccc32)cc1 ZINC001463013225 1068251029 /nfs/dbraw/zinc/25/10/29/1068251029.db2.gz CVKRMCINHGJKDZ-NRFANRHFSA-N 0 0 452.601 4.913 20 0 JJADRN O=S(=O)(NCCCc1nc2c(s1)CCCC2)c1cc(Cl)ccc1OCC1CCC1 ZINC001463013383 1068251598 /nfs/dbraw/zinc/25/15/98/1068251598.db2.gz GXBQIZCKEDVNAK-UHFFFAOYSA-N 0 0 455.045 4.765 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001463017712 1068253282 /nfs/dbraw/zinc/25/32/82/1068253282.db2.gz HJIXISFQNUPGLY-UHFFFAOYSA-N 0 0 458.333 4.782 20 0 JJADRN Cn1cc(C(=O)NCc2ccc(Br)c(Br)c2)c(-c2cccs2)n1 ZINC001463019546 1068253971 /nfs/dbraw/zinc/25/39/71/1068253971.db2.gz MIGLHGVKGMLJPF-UHFFFAOYSA-N 0 0 455.175 4.604 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)Oc2cccc(-c3nc(C)cs3)c2)ccc1Br ZINC001463020651 1068254532 /nfs/dbraw/zinc/25/45/32/1068254532.db2.gz SBWFQZZYWNQGJO-UHFFFAOYSA-N 0 0 452.351 4.851 20 0 JJADRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(S(=O)(=O)CC=C(Cl)Cl)C3)cc1 ZINC001463021426 1068254713 /nfs/dbraw/zinc/25/47/13/1068254713.db2.gz WRGWBYQVVANFCH-UHFFFAOYSA-N 0 0 454.379 4.646 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463022910 1068255160 /nfs/dbraw/zinc/25/51/60/1068255160.db2.gz PLGSLJGEDXDRBY-HUUCEWRRSA-N 0 0 454.151 4.636 20 0 JJADRN CCc1c(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cnn1CCC(C)C ZINC001463022325 1068255260 /nfs/dbraw/zinc/25/52/60/1068255260.db2.gz NRAGVLWFVQKHGK-UHFFFAOYSA-N 0 0 452.521 4.595 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)c(Br)c1 ZINC001463021955 1068255323 /nfs/dbraw/zinc/25/53/23/1068255323.db2.gz PWGFOPKPNVOHSE-SWLSCSKDSA-N 0 0 476.209 4.521 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c(C2CCCCC2)n1 ZINC001463023595 1068255683 /nfs/dbraw/zinc/25/56/83/1068255683.db2.gz QTKVWQGMVYYLSU-UHFFFAOYSA-N 0 0 450.505 4.571 20 0 JJADRN Cc1cc(Br)oc1C(=O)NCc1ccc(Br)c(Br)c1 ZINC001463026054 1068255818 /nfs/dbraw/zinc/25/58/18/1068255818.db2.gz YWLLMCVZAXETBT-UHFFFAOYSA-N 0 0 451.940 4.806 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001463023696 1068255824 /nfs/dbraw/zinc/25/58/24/1068255824.db2.gz FQXBBHAQFDCGQP-IEBWSBKVSA-N 0 0 452.414 4.928 20 0 JJADRN Cc1nc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nn1-c1ccccc1C(C)C ZINC001463026680 1068256437 /nfs/dbraw/zinc/25/64/37/1068256437.db2.gz VNSAHLAEYJLJBG-CQSZACIVSA-N 0 0 450.930 4.894 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cnn(C3CCC3)c2)c1 ZINC001463028293 1068256778 /nfs/dbraw/zinc/25/67/78/1068256778.db2.gz SYQPCZWYSQELGB-UHFFFAOYSA-N 0 0 452.580 4.856 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)C3(c4cccc(Br)c4)CCCC3)cc12 ZINC001463030162 1068257319 /nfs/dbraw/zinc/25/73/19/1068257319.db2.gz BHYDWJGYSYTSIH-UHFFFAOYSA-N 0 0 456.340 4.724 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC001463030593 1068257711 /nfs/dbraw/zinc/25/77/11/1068257711.db2.gz IDIGWDZJURMJKS-UHFFFAOYSA-N 0 0 455.576 4.720 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463036794 1068258856 /nfs/dbraw/zinc/25/88/56/1068258856.db2.gz CYKSQZWETSFYFT-UHFFFAOYSA-N 0 0 454.976 4.714 20 0 JJADRN COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001463037243 1068259476 /nfs/dbraw/zinc/25/94/76/1068259476.db2.gz BPQNNKRUJIPAGO-MRXNPFEDSA-N 0 0 454.495 4.592 20 0 JJADRN O=S(=O)(c1ccc(Oc2ccc(F)cc2)c(Br)c1)N(CC(F)F)C1CC1 ZINC001463042748 1068261736 /nfs/dbraw/zinc/26/17/36/1068261736.db2.gz JIFZWJXDSKLCSS-UHFFFAOYSA-N 0 0 450.276 4.799 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001546136052 1068261881 /nfs/dbraw/zinc/26/18/81/1068261881.db2.gz PAVMLUILAIJGSL-KRWDZBQOSA-N 0 0 463.420 4.528 20 0 JJADRN CCc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c(C)cc1OC ZINC001463043547 1068262349 /nfs/dbraw/zinc/26/23/49/1068262349.db2.gz XUUUVIPIXVWDCK-UHFFFAOYSA-N 0 0 457.523 4.829 20 0 JJADRN CCN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC001463044085 1068262406 /nfs/dbraw/zinc/26/24/06/1068262406.db2.gz ZPPMKGQFWQRRFX-RUZDIDTESA-N 0 0 452.551 4.535 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2ccc(OC(F)F)c(Br)c2)c2ccccc12 ZINC001463044233 1068262435 /nfs/dbraw/zinc/26/24/35/1068262435.db2.gz SNQYUBBXOGQLCX-UHFFFAOYSA-N 0 0 451.223 4.638 20 0 JJADRN CC(C)c1ccc([C@@H](CNS(=O)(=O)Cc2ccccc2F)NC(=O)OC(C)(C)C)cc1 ZINC001463046751 1068264335 /nfs/dbraw/zinc/26/43/35/1068264335.db2.gz MVMUBCUYAQPYFX-OAQYLSRUSA-N 0 0 450.576 4.635 20 0 JJADRN COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC001463048352 1068264923 /nfs/dbraw/zinc/26/49/23/1068264923.db2.gz OAGCYGFILSQHTO-UHFFFAOYSA-N 0 0 450.771 4.690 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)c1 ZINC001463048991 1068265065 /nfs/dbraw/zinc/26/50/65/1068265065.db2.gz NZRWCXYBRGFXQQ-GDLZYMKVSA-N 0 0 453.841 4.925 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001463050558 1068266084 /nfs/dbraw/zinc/26/60/84/1068266084.db2.gz ZTIYKKYTEZQYSS-UHFFFAOYSA-N 0 0 451.523 4.808 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=[S@](C)(=O)c1cccc(Cl)c1 ZINC001463051744 1068266149 /nfs/dbraw/zinc/26/61/49/1068266149.db2.gz XCUFWPHCCJEDCE-GTYOFVGBSA-N 0 0 456.995 4.860 20 0 JJADRN O=C1COc2cc(S(=O)(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)c(Cl)cc2N1 ZINC001463053653 1068267313 /nfs/dbraw/zinc/26/73/13/1068267313.db2.gz IOQVOEMGMQGEES-FQEVSTJZSA-N 0 0 455.363 4.534 20 0 JJADRN COc1ccccc1SC[C@H](C)CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463053571 1068267363 /nfs/dbraw/zinc/26/73/63/1068267363.db2.gz DMSBRNIUPSUCOY-CYBMUJFWSA-N 0 0 454.976 4.743 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001463054397 1068268158 /nfs/dbraw/zinc/26/81/58/1068268158.db2.gz LLPKHMMSSGEVEU-LJQANCHMSA-N 0 0 458.536 4.662 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001463059635 1068269858 /nfs/dbraw/zinc/26/98/58/1068269858.db2.gz SLSGQBGLZHYLDA-NRFANRHFSA-N 0 0 451.466 4.803 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC001463061077 1068270497 /nfs/dbraw/zinc/27/04/97/1068270497.db2.gz APUFEWJOTGYTMV-UHFFFAOYSA-N 0 0 459.571 4.994 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)c12 ZINC001463061087 1068271118 /nfs/dbraw/zinc/27/11/18/1068271118.db2.gz DCSNCZVJNFFXDW-PUAOIOHZSA-N 0 0 456.587 4.647 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)C[C@@H](C)COC2CCCC2)c1 ZINC001463063027 1068272071 /nfs/dbraw/zinc/27/20/71/1068272071.db2.gz GMENXQKRUKORQX-NRFANRHFSA-N 0 0 458.624 4.674 20 0 JJADRN Cc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@H]3C3(CNC(=O)OC(C)(C)C)CCC3)C2)cc1 ZINC001463063516 1068272091 /nfs/dbraw/zinc/27/20/91/1068272091.db2.gz MGTDPUUFPJEBCM-YADHBBJMSA-N 0 0 455.599 4.564 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C)c1 ZINC001463064600 1068272870 /nfs/dbraw/zinc/27/28/70/1068272870.db2.gz TXUHCJPYEPWDNE-FQEVSTJZSA-N 0 0 459.587 4.863 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(Cl)nccc1C(F)(F)F ZINC001463064179 1068272890 /nfs/dbraw/zinc/27/28/90/1068272890.db2.gz AHTOHBXSOXQUOC-GDBMZVCRSA-N 0 0 455.864 4.674 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)OC(C)(C)C)s2)o1 ZINC001463065902 1068273422 /nfs/dbraw/zinc/27/34/22/1068273422.db2.gz KTQXHTLJHGHZOZ-IEBWSBKVSA-N 0 0 453.564 4.940 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001463066319 1068274045 /nfs/dbraw/zinc/27/40/45/1068274045.db2.gz GOPKNMXHEIYKTJ-KRWDZBQOSA-N 0 0 456.608 4.572 20 0 JJADRN CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](c2ccccc2C)C(C)C)c1 ZINC001463066974 1068274608 /nfs/dbraw/zinc/27/46/08/1068274608.db2.gz LFOMDZYJSSQENF-IBGZPJMESA-N 0 0 454.386 4.610 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)c1cccc(OCc2cccnc2)c1 ZINC001463069195 1068275335 /nfs/dbraw/zinc/27/53/35/1068275335.db2.gz UBEVHDRKBQDEML-QFQXNSOFSA-N 0 0 451.567 4.570 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2C)C(C)C)cc1Br ZINC001463069067 1068275359 /nfs/dbraw/zinc/27/53/59/1068275359.db2.gz SYAAAMSQKAYNNV-HXUWFJFHSA-N 0 0 453.402 4.700 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)c1cccc(OCc2cccnc2)c1 ZINC001463069201 1068275511 /nfs/dbraw/zinc/27/55/11/1068275511.db2.gz UBEVHDRKBQDEML-RLWLMLJZSA-N 0 0 451.567 4.570 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001463070579 1068276617 /nfs/dbraw/zinc/27/66/17/1068276617.db2.gz SNSCRYPFKVBWCH-INIZCTEOSA-N 0 0 451.169 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)CCc1ccccc1OC(F)(F)F ZINC001463070559 1068276635 /nfs/dbraw/zinc/27/66/35/1068276635.db2.gz XMAMXLZJDVKWJX-VGOFRKELSA-N 0 0 456.505 4.814 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001463070586 1068276668 /nfs/dbraw/zinc/27/66/68/1068276668.db2.gz SNSCRYPFKVBWCH-MRXNPFEDSA-N 0 0 451.169 4.518 20 0 JJADRN COc1cccc(CNS(=O)(=O)c2cc3nc(Cl)ccc3s2)c1OC1CCCC1 ZINC001463071556 1068276689 /nfs/dbraw/zinc/27/66/89/1068276689.db2.gz LCGBHXKKVBJXLC-UHFFFAOYSA-N 0 0 452.985 4.758 20 0 JJADRN COc1ccc(CCN(CC(C)C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1OC ZINC001463072315 1068277329 /nfs/dbraw/zinc/27/73/29/1068277329.db2.gz BLQQMQIGEMSOST-UHFFFAOYSA-N 0 0 459.530 4.920 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1OCC ZINC001463074054 1068277884 /nfs/dbraw/zinc/27/78/84/1068277884.db2.gz QJTLOFQTLNGHOA-SFHVURJKSA-N 0 0 454.995 4.903 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001463073591 1068278005 /nfs/dbraw/zinc/27/80/05/1068278005.db2.gz GVOKJVRTFCFSNV-UHFFFAOYSA-N 0 0 451.498 4.935 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2)no1 ZINC001463074187 1068278611 /nfs/dbraw/zinc/27/86/11/1068278611.db2.gz QQRXHEIUTXJPRD-GOSISDBHSA-N 0 0 456.587 4.701 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CC3(NC(=O)OC(C)(C)C)CC3)n2c1 ZINC001463076446 1068278980 /nfs/dbraw/zinc/27/89/80/1068278980.db2.gz KPCDLUBEBBTNBT-UHFFFAOYSA-N 0 0 452.530 4.512 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC001463076902 1068278998 /nfs/dbraw/zinc/27/89/98/1068278998.db2.gz AHYDNJGAEMNZPR-HNNXBMFYSA-N 0 0 457.495 4.918 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3ccc(OCC(F)(F)F)cn3)n2c1 ZINC001463076502 1068279120 /nfs/dbraw/zinc/27/91/20/1068279120.db2.gz LWYWEKNBVWGGLL-UHFFFAOYSA-N 0 0 458.415 4.715 20 0 JJADRN O=S(=O)(NCc1ccc(Br)cc1Oc1ccccc1)c1ccc(Cl)nc1 ZINC001463077581 1068279612 /nfs/dbraw/zinc/27/96/12/1068279612.db2.gz VVDRVSWHTJEXTD-UHFFFAOYSA-N 0 0 453.745 4.768 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](OCCOC)C2)CC1 ZINC001546136304 1068279638 /nfs/dbraw/zinc/27/96/38/1068279638.db2.gz ZMGKQNPTUJRKFJ-QGZVFWFLSA-N 0 0 463.420 4.530 20 0 JJADRN COc1ccc2c(CC(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)OC(C)(C)C)coc2c1C ZINC001463080512 1068280673 /nfs/dbraw/zinc/28/06/73/1068280673.db2.gz FTSJMKJSEATJSV-NFBKMPQASA-N 0 0 450.535 4.599 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001463082663 1068281111 /nfs/dbraw/zinc/28/11/11/1068281111.db2.gz UPOBOYDJVFCDBO-WOJBJXKFSA-N 0 0 459.384 4.932 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)S(=O)(=O)c1cnc2n1CCC2 ZINC001463084287 1068282007 /nfs/dbraw/zinc/28/20/07/1068282007.db2.gz DVOGEAHLMZTUCE-UHFFFAOYSA-N 0 0 453.608 4.544 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)OCc3ccc(Br)cc3)CC2)cs1 ZINC001463089263 1068283015 /nfs/dbraw/zinc/28/30/15/1068283015.db2.gz BAERWVIQTIIAKH-UHFFFAOYSA-N 0 0 452.418 4.606 20 0 JJADRN C[C@@H](CNC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC001463089624 1068283451 /nfs/dbraw/zinc/28/34/51/1068283451.db2.gz HGSIODOFZOBTAC-NSHDSACASA-N 0 0 454.155 4.870 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463091497 1068283512 /nfs/dbraw/zinc/28/35/12/1068283512.db2.gz HSEMXIUGVFLLHK-HXUWFJFHSA-N 0 0 451.954 4.712 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2cccc(Br)c2Cl)C1)c1ccc(Cl)cc1 ZINC001463097948 1068286033 /nfs/dbraw/zinc/28/60/33/1068286033.db2.gz GFUYNNBIRFXACA-CQSZACIVSA-N 0 0 456.167 4.791 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1sc2ccccc2c1Cl ZINC001463098142 1068286093 /nfs/dbraw/zinc/28/60/93/1068286093.db2.gz IJGHEMLIXLKJKF-UHFFFAOYSA-N 0 0 459.923 4.587 20 0 JJADRN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 ZINC001463098612 1068286113 /nfs/dbraw/zinc/28/61/13/1068286113.db2.gz ZUYPEXXFFBGLCL-ZDUSSCGKSA-N 0 0 457.361 4.899 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2C)cc1OC ZINC001463102765 1068288059 /nfs/dbraw/zinc/28/80/59/1068288059.db2.gz ZRAPLRMVPLELMH-QGZVFWFLSA-N 0 0 456.402 4.840 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)CC[C@@H]2CCOC2)cc(C)c1OCc1ccccc1Cl ZINC001463103488 1068288925 /nfs/dbraw/zinc/28/89/25/1068288925.db2.gz WCPLYFHOCMKVFG-IBGZPJMESA-N 0 0 452.016 4.724 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1Cl ZINC001463104110 1068289087 /nfs/dbraw/zinc/28/90/87/1068289087.db2.gz ZRQRNWXBRPTTPV-CYBMUJFWSA-N 0 0 453.313 4.878 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NCCCO[C@@H]2CCCc3ccccc32)c2ccccc12 ZINC001463107482 1068290105 /nfs/dbraw/zinc/29/01/05/1068290105.db2.gz RIFYUZMICLKWJA-XMMPIXPASA-N 0 0 452.576 4.561 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1 ZINC001463111212 1068291217 /nfs/dbraw/zinc/29/12/17/1068291217.db2.gz SVPPMZCRSFPCGW-GDJIYFAZSA-N 0 0 455.388 4.996 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)C=C1CCCC1 ZINC001463114949 1068291688 /nfs/dbraw/zinc/29/16/88/1068291688.db2.gz MXZCZXRAUTTZRF-PKTZIBPZSA-N 0 0 470.610 4.704 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1F ZINC001463116179 1068292699 /nfs/dbraw/zinc/29/26/99/1068292699.db2.gz HMIIGLUZLOBDKH-GCJKJVERSA-N 0 0 452.507 4.715 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2ccccc2CN(C)Cc2ccco2)c2ccccc12 ZINC001463121416 1068294396 /nfs/dbraw/zinc/29/43/96/1068294396.db2.gz FCGSKRMDLLABIY-UHFFFAOYSA-N 0 0 450.560 4.552 20 0 JJADRN COC(=O)Cn1ncc2ccc(NC(=O)c3ccccc3CSc3nc(C)cs3)cc21 ZINC001463120571 1068294546 /nfs/dbraw/zinc/29/45/46/1068294546.db2.gz BVLDQDFPMMIZQY-UHFFFAOYSA-N 0 0 452.561 4.519 20 0 JJADRN CC(C)C[C@H]1CCCCCN1S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001463122860 1068295059 /nfs/dbraw/zinc/29/50/59/1068295059.db2.gz CTXBGWHGZGISKA-DHIUTWEWSA-N 0 0 450.645 4.798 20 0 JJADRN CN(C)c1cc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)c2ccccc2n1 ZINC001463123254 1068295577 /nfs/dbraw/zinc/29/55/77/1068295577.db2.gz SIBMMCLNSJQUPH-KRWDZBQOSA-N 0 0 454.368 4.747 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC001463126902 1068296232 /nfs/dbraw/zinc/29/62/32/1068296232.db2.gz PFRBYBBGLGJLOQ-HXUWFJFHSA-N 0 0 450.988 4.689 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC001463126970 1068296258 /nfs/dbraw/zinc/29/62/58/1068296258.db2.gz PSEBCRQTRQKGEB-HWPZZCPQSA-N 0 0 453.185 4.810 20 0 JJADRN O=S(=O)(NC1(c2cccc(F)c2)CC1)c1csc(-c2cccc(Br)c2)n1 ZINC001463129142 1068296629 /nfs/dbraw/zinc/29/66/29/1068296629.db2.gz BFOXGXZQVIQJFM-UHFFFAOYSA-N 0 0 453.358 4.679 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463132977 1068297959 /nfs/dbraw/zinc/29/79/59/1068297959.db2.gz YLXSMXACPVWISK-UHFFFAOYSA-N 0 0 453.391 4.838 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)Cc1cccc(Br)c1 ZINC001463132748 1068298019 /nfs/dbraw/zinc/29/80/19/1068298019.db2.gz WCFPGPPYSKCLBI-HNNXBMFYSA-N 0 0 452.414 4.710 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)c3ccc4cc(Br)ccc4c3)cc21 ZINC001463134247 1068298521 /nfs/dbraw/zinc/29/85/21/1068298521.db2.gz MKWRZPCUGOQAQM-UHFFFAOYSA-N 0 0 453.336 4.780 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1C ZINC001463133004 1068298550 /nfs/dbraw/zinc/29/85/50/1068298550.db2.gz MMXAWDBJOJWIPX-CQSZACIVSA-N 0 0 459.930 4.534 20 0 JJADRN O=C(OCc1cccc(SC(F)(F)F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC001463135819 1068298970 /nfs/dbraw/zinc/29/89/70/1068298970.db2.gz PNVFBBODZRPPFS-SFHVURJKSA-N 0 0 459.511 4.585 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1F ZINC001463141577 1068300531 /nfs/dbraw/zinc/30/05/31/1068300531.db2.gz YQBGDGZVFIHCCT-UHFFFAOYSA-N 0 0 457.479 4.651 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC001463140320 1068300722 /nfs/dbraw/zinc/30/07/22/1068300722.db2.gz RIERKHSLPRNYPD-FMIVXFBMSA-N 0 0 457.354 4.784 20 0 JJADRN CC(=O)c1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)cs1 ZINC001463146800 1068302829 /nfs/dbraw/zinc/30/28/29/1068302829.db2.gz GSHQZLPGXYRXCJ-LJQANCHMSA-N 0 0 453.345 4.793 20 0 JJADRN CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC001463152210 1068304767 /nfs/dbraw/zinc/30/47/67/1068304767.db2.gz CECBXVOHTWFYGV-HNNXBMFYSA-N 0 0 454.386 4.788 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1cc(C)cc2cccnc21 ZINC001463152355 1068304783 /nfs/dbraw/zinc/30/47/83/1068304783.db2.gz MHOXDEGXYSQUMB-UHFFFAOYSA-N 0 0 456.955 4.848 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N(Cc2ccc(C)c(C)c2)C2CC2)cc1Cl ZINC001463152295 1068304874 /nfs/dbraw/zinc/30/48/74/1068304874.db2.gz AXAFYBUCYIOEMB-UHFFFAOYSA-N 0 0 458.407 4.989 20 0 JJADRN Cc1cc(Cl)nc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)c1 ZINC001463153354 1068305368 /nfs/dbraw/zinc/30/53/68/1068305368.db2.gz WCOINMZKZRPYCJ-LJQANCHMSA-N 0 0 454.739 4.885 20 0 JJADRN O=S(=O)(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCC2CCCCC2)cc1 ZINC001463153830 1068305679 /nfs/dbraw/zinc/30/56/79/1068305679.db2.gz WZWOEVVAIWUJOC-NRFANRHFSA-N 0 0 458.407 4.964 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)cc1 ZINC001463154855 1068305719 /nfs/dbraw/zinc/30/57/19/1068305719.db2.gz NCKFKENKFBHMMM-UHFFFAOYSA-N 0 0 450.560 4.619 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(=O)OC(C)(C)C)c1 ZINC001463153977 1068305998 /nfs/dbraw/zinc/30/59/98/1068305998.db2.gz YPIMETLEHRAUMC-GOHWNWGWSA-N 0 0 458.599 4.531 20 0 JJADRN O=S(=O)(c1ccc(-c2ccc(Br)cc2)cc1)N1CCc2ccc(O)cc2CC1 ZINC001463155762 1068306285 /nfs/dbraw/zinc/30/62/85/1068306285.db2.gz RLNPYLAIJIOTCV-UHFFFAOYSA-N 0 0 458.377 4.611 20 0 JJADRN Cn1c(C(=O)Nc2ccccc2S(=O)(=O)C2CC2)ccc1-c1ccc(Br)cc1 ZINC001463157898 1068306419 /nfs/dbraw/zinc/30/64/19/1068306419.db2.gz ZMOFFOASPVUWIO-UHFFFAOYSA-N 0 0 459.365 4.643 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(OC(F)(F)F)ccc2Br)CC1 ZINC001463159771 1068306799 /nfs/dbraw/zinc/30/67/99/1068306799.db2.gz BCKUMYCJKDUUIP-UHFFFAOYSA-N 0 0 453.255 4.734 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546137032 1068307209 /nfs/dbraw/zinc/30/72/09/1068307209.db2.gz CDTLDVYKALYQJL-HXUWFJFHSA-N 0 0 454.619 4.756 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001463165432 1068307919 /nfs/dbraw/zinc/30/79/19/1068307919.db2.gz LKEVZMXHIHLIKP-QRWLVFNGSA-N 0 0 455.498 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(I)c(Cl)c1 ZINC001463165785 1068308049 /nfs/dbraw/zinc/30/80/49/1068308049.db2.gz DYYFIJIOQCUSDR-SMDDNHRTSA-N 0 0 464.731 4.577 20 0 JJADRN CSc1ccc(S(=O)(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC001463166540 1068308313 /nfs/dbraw/zinc/30/83/13/1068308313.db2.gz CERWVTXVXPBJAO-UHFFFAOYSA-N 0 0 454.828 4.942 20 0 JJADRN O=C(CNC(=O)C1(c2ccc(Br)cc2)CCCC1)N1CCCCc2ccccc21 ZINC001463167583 1068308434 /nfs/dbraw/zinc/30/84/34/1068308434.db2.gz NFMJWWWUHMDYEZ-UHFFFAOYSA-N 0 0 455.396 4.747 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N(C)Cc3nc([C@@H](C)OCC(C)C)no3)cc2)c1 ZINC001463171211 1068309443 /nfs/dbraw/zinc/30/94/43/1068309443.db2.gz WDULCSOWRMRXEQ-GOSISDBHSA-N 0 0 459.568 4.725 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463178411 1068310202 /nfs/dbraw/zinc/31/02/02/1068310202.db2.gz SCYIVQSZJVQHBY-ROUUACIJSA-N 0 0 455.462 4.607 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC001463181152 1068311573 /nfs/dbraw/zinc/31/15/73/1068311573.db2.gz JTHSVYXPIWPUCS-GOSISDBHSA-N 0 0 458.393 4.923 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC001463182200 1068311944 /nfs/dbraw/zinc/31/19/44/1068311944.db2.gz IRYDQYARROYIOY-VXGBXAGGSA-N 0 0 457.253 4.506 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCCN(C)c2ccc(Cl)cc21 ZINC001463183099 1068312420 /nfs/dbraw/zinc/31/24/20/1068312420.db2.gz AEPNAYGTNLBHTE-UHFFFAOYSA-N 0 0 459.793 4.536 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1Cl ZINC001463183329 1068312806 /nfs/dbraw/zinc/31/28/06/1068312806.db2.gz MEIKGUDWCNBUFL-HIFRSBDPSA-N 0 0 458.805 4.925 20 0 JJADRN CCc1nc(OC)ccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001463183909 1068312839 /nfs/dbraw/zinc/31/28/39/1068312839.db2.gz SZJLZSICLZCUAJ-UHFFFAOYSA-N 0 0 454.324 4.920 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186424 1068313558 /nfs/dbraw/zinc/31/35/58/1068313558.db2.gz PIRKHICAVXSIGV-HNAYVOBHSA-N 0 0 458.805 4.857 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC001463187730 1068313962 /nfs/dbraw/zinc/31/39/62/1068313962.db2.gz RAPHDQXANUWUIQ-YJYMSZOUSA-N 0 0 451.361 4.852 20 0 JJADRN O=S(=O)(c1csc(-c2cccc(Br)c2)n1)N1CC[C@@H]1c1cccc(F)c1 ZINC001463187043 1068314151 /nfs/dbraw/zinc/31/41/51/1068314151.db2.gz RJAXZBYGOPCSBM-MRXNPFEDSA-N 0 0 453.358 4.847 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCC(C)(C)O1)CCO2 ZINC001463186768 1068314236 /nfs/dbraw/zinc/31/42/36/1068314236.db2.gz LVXNKGLLSKVBRD-GGAORHGYSA-N 0 0 459.608 4.699 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCn3nc(C(C)(C)C)cc3C2)nnc1-c1ccccc1 ZINC001463189121 1068314675 /nfs/dbraw/zinc/31/46/75/1068314675.db2.gz QZGCUQFZWADQGN-QGZVFWFLSA-N 0 0 452.628 4.545 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC001463192811 1068316090 /nfs/dbraw/zinc/31/60/90/1068316090.db2.gz JKHIPKAKBNTLFF-YJGRUCBDSA-N 0 0 453.535 4.617 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)o1 ZINC001463194145 1068316109 /nfs/dbraw/zinc/31/61/09/1068316109.db2.gz HHKFGQOSJXLJKZ-ACJLOTCBSA-N 0 0 454.976 4.624 20 0 JJADRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)C12CCCCC2 ZINC001463195758 1068316633 /nfs/dbraw/zinc/31/66/33/1068316633.db2.gz JYHJJMFKWDFGKL-NHCUHLMSSA-N 0 0 453.551 4.890 20 0 JJADRN O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(I)cn1 ZINC001463196995 1068317032 /nfs/dbraw/zinc/31/70/32/1068317032.db2.gz SXEIJEMOIMRZHH-QUCCMNQESA-N 0 0 456.283 4.681 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(I)cc2)o1 ZINC001463196547 1068317076 /nfs/dbraw/zinc/31/70/76/1068317076.db2.gz KNCFBDZQHLLULM-SUMWQHHRSA-N 0 0 459.349 4.609 20 0 JJADRN COC(=O)[C@H](NC(=O)c1c(C)c(C)sc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463199217 1068317852 /nfs/dbraw/zinc/31/78/52/1068317852.db2.gz BZZKYWYXMYUTJU-CYBMUJFWSA-N 0 0 450.276 4.790 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463203716 1068319261 /nfs/dbraw/zinc/31/92/61/1068319261.db2.gz MRWIGMGMHSVCHY-GOSISDBHSA-N 0 0 458.274 4.739 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Br)c(C)c2)C1 ZINC001463206330 1068320007 /nfs/dbraw/zinc/32/00/07/1068320007.db2.gz YXBCOTXWYDIGEL-SFHVURJKSA-N 0 0 459.384 4.576 20 0 JJADRN CN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001463206692 1068320289 /nfs/dbraw/zinc/32/02/89/1068320289.db2.gz WFDFMUVKLJKMPP-UHFFFAOYSA-N 0 0 456.608 4.714 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 ZINC001463205994 1068320317 /nfs/dbraw/zinc/32/03/17/1068320317.db2.gz SAYLFDJSYOICBS-UHFFFAOYSA-N 0 0 458.555 4.975 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H]([C@@H]3CCOC3)C(F)(F)F)c3cnn(C(C)C)c3n2)s1 ZINC001463209907 1068321376 /nfs/dbraw/zinc/32/13/76/1068321376.db2.gz MMQOEIZTHXTDRG-ACJLOTCBSA-N 0 0 452.502 4.746 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001463213984 1068322412 /nfs/dbraw/zinc/32/24/12/1068322412.db2.gz YPWJCIQSVBDQDH-UHFFFAOYSA-N 0 0 454.283 4.907 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1C ZINC001463217493 1068322829 /nfs/dbraw/zinc/32/28/29/1068322829.db2.gz WGDPERUHLAHFBD-GOSISDBHSA-N 0 0 453.560 4.839 20 0 JJADRN CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463217895 1068323293 /nfs/dbraw/zinc/32/32/93/1068323293.db2.gz GIRCJCIXEGGLPL-CABZTGNLSA-N 0 0 451.770 4.539 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1C ZINC001463218122 1068323369 /nfs/dbraw/zinc/32/33/69/1068323369.db2.gz ZKZGVNLJJGVULO-LJQANCHMSA-N 0 0 456.649 4.687 20 0 JJADRN CSc1cccc([C@H](NS(=O)(=O)CCc2scnc2C)c2ccc(F)c(F)c2)c1 ZINC001463217631 1068323462 /nfs/dbraw/zinc/32/34/62/1068323462.db2.gz XSTWGVJTVDNMJE-FQEVSTJZSA-N 0 0 454.589 4.703 20 0 JJADRN O=C(Oc1c(Br)ccc2ccccc21)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001463219993 1068323977 /nfs/dbraw/zinc/32/39/77/1068323977.db2.gz BNJITSULAXOPRX-QGZVFWFLSA-N 0 0 456.311 4.738 20 0 JJADRN CSc1cccc([C@H](NS(=O)(=O)c2cc3c[nH]nc3cc2C)c2cc(F)ccc2F)c1 ZINC001463221805 1068324632 /nfs/dbraw/zinc/32/46/32/1068324632.db2.gz PYGDXZVKHZNWHM-QFIPXVFZSA-N 0 0 459.543 4.939 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)CCOCC1 ZINC001546137343 1068324814 /nfs/dbraw/zinc/32/48/14/1068324814.db2.gz OJJNQGUYLRBKRO-UHFFFAOYSA-N 0 0 465.598 4.509 20 0 JJADRN CS(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)cc1F ZINC001463223166 1068325070 /nfs/dbraw/zinc/32/50/70/1068325070.db2.gz WNXYWRYQMHSKRN-FPOVZHCZSA-N 0 0 457.633 4.521 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 ZINC001463222691 1068325199 /nfs/dbraw/zinc/32/51/99/1068325199.db2.gz UXGDRZMNHDPGRO-INIZCTEOSA-N 0 0 457.523 4.636 20 0 JJADRN CCCN([C@@H]1C[C@H](OCC)C12CCCCC2)S(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC001463222496 1068325448 /nfs/dbraw/zinc/32/54/48/1068325448.db2.gz RZUFLTCROXWMCX-YADHBBJMSA-N 0 0 451.629 4.700 20 0 JJADRN CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(C)cc1Br)c1cccc(Cl)c1 ZINC001463224599 1068326697 /nfs/dbraw/zinc/32/66/97/1068326697.db2.gz XABZDTFMKPTRCY-HNNXBMFYSA-N 0 0 453.185 4.730 20 0 JJADRN O=C(NCc1ccc(-c2cnco2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001463225852 1068326917 /nfs/dbraw/zinc/32/69/17/1068326917.db2.gz AGMSOWMXKWZRFJ-SFHVURJKSA-N 0 0 458.345 4.817 20 0 JJADRN CC1CCN(C(=S)SCC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)CC1 ZINC001463226668 1068327332 /nfs/dbraw/zinc/32/73/32/1068327332.db2.gz HHIMIMDONATPEY-UHFFFAOYSA-N 0 0 450.029 4.894 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001463228135 1068327855 /nfs/dbraw/zinc/32/78/55/1068327855.db2.gz ACPKFDMEPSUQQH-MPBGBICISA-N 0 0 452.345 4.565 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(C)o1 ZINC001463228499 1068328502 /nfs/dbraw/zinc/32/85/02/1068328502.db2.gz PCANAURZTJRHQF-LJQANCHMSA-N 0 0 450.354 4.684 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c2ccccc21 ZINC001463231131 1068328735 /nfs/dbraw/zinc/32/87/35/1068328735.db2.gz KKZXNIFHLXDSMA-SFHVURJKSA-N 0 0 455.551 4.970 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001463236657 1068331075 /nfs/dbraw/zinc/33/10/75/1068331075.db2.gz KWQGLDRRVMSOMA-NRFANRHFSA-N 0 0 452.389 4.788 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC(=O)N(C)c2cc(C(F)(F)F)ccc21 ZINC001463237183 1068331085 /nfs/dbraw/zinc/33/10/85/1068331085.db2.gz BXTLRGPULGECCO-LBPRGKRZSA-N 0 0 455.274 4.656 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1Br ZINC001463239079 1068331329 /nfs/dbraw/zinc/33/13/29/1068331329.db2.gz MBLSKJLKZGTKAH-QGZVFWFLSA-N 0 0 458.443 4.540 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CC(=O)N(C)c4cc(C(F)(F)F)ccc43)nc2)c1 ZINC001463238286 1068331491 /nfs/dbraw/zinc/33/14/91/1068331491.db2.gz FUHKMGLZECWFFF-UHFFFAOYSA-N 0 0 457.408 4.525 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)NCCCc1ccc(Cl)cc1Cl ZINC001463239729 1068331961 /nfs/dbraw/zinc/33/19/61/1068331961.db2.gz PCXZJDZKCGSEMG-UHFFFAOYSA-N 0 0 458.388 4.906 20 0 JJADRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001463240101 1068332030 /nfs/dbraw/zinc/33/20/30/1068332030.db2.gz PSDQUPWTUANBJW-HXUWFJFHSA-N 0 0 458.996 4.848 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463246370 1068333402 /nfs/dbraw/zinc/33/34/02/1068333402.db2.gz BQLDAJIULHXIEO-PVUWLOKVSA-N 0 0 454.352 4.595 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1C ZINC001463246366 1068333450 /nfs/dbraw/zinc/33/34/50/1068333450.db2.gz DASMXSUXCIKRDR-NRFANRHFSA-N 0 0 459.955 4.632 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)CCCc1ccc(Br)s1 ZINC001463247328 1068333814 /nfs/dbraw/zinc/33/38/14/1068333814.db2.gz GPOVUNMCVYHRDM-XOBRGWDASA-N 0 0 457.434 4.739 20 0 JJADRN O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001463249403 1068334207 /nfs/dbraw/zinc/33/42/07/1068334207.db2.gz FANNLHAQHTXRPY-FQEVSTJZSA-N 0 0 451.972 4.656 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1C(F)F ZINC001463249926 1068334396 /nfs/dbraw/zinc/33/43/96/1068334396.db2.gz HCYFCGMBTFOPRI-UHFFFAOYSA-N 0 0 454.864 4.926 20 0 JJADRN CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001463251972 1068335347 /nfs/dbraw/zinc/33/53/47/1068335347.db2.gz XZVDUJOAAHEHPP-HNNXBMFYSA-N 0 0 453.376 4.508 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)Oc1ccccc1Cl ZINC001463252489 1068335590 /nfs/dbraw/zinc/33/55/90/1068335590.db2.gz SXKKSAUENXPEDT-LBPRGKRZSA-N 0 0 453.185 4.892 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001463256489 1068336270 /nfs/dbraw/zinc/33/62/70/1068336270.db2.gz KBIVXUYJWLHJAV-NRFANRHFSA-N 0 0 456.391 4.814 20 0 JJADRN COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(F)cc3Br)c2)cc1 ZINC001463257141 1068336748 /nfs/dbraw/zinc/33/67/48/1068336748.db2.gz DNMYRQDPBCJJKR-UHFFFAOYSA-N 0 0 456.358 4.804 20 0 JJADRN CCC1(CC)CN(S(=O)(=O)c2ccc(CCOC)cc2)c2ccc(Br)cc21 ZINC001463272487 1068340469 /nfs/dbraw/zinc/34/04/69/1068340469.db2.gz NRMZMSRPLLEWPV-UHFFFAOYSA-N 0 0 452.414 4.905 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC001463274675 1068340798 /nfs/dbraw/zinc/34/07/98/1068340798.db2.gz HTJVABXXVZHECY-INIZCTEOSA-N 0 0 453.004 4.588 20 0 JJADRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC001463275085 1068341385 /nfs/dbraw/zinc/34/13/85/1068341385.db2.gz LMEXSSQRMVVZLR-UHFFFAOYSA-N 0 0 453.391 4.844 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc1C ZINC001463276738 1068341602 /nfs/dbraw/zinc/34/16/02/1068341602.db2.gz BBZGXBJKXLONDB-HSZRJFAPSA-N 0 0 455.963 4.923 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)Cc1c(Cl)cccc1Br)c1ccc(F)cc1F ZINC001463276521 1068341656 /nfs/dbraw/zinc/34/16/56/1068341656.db2.gz NVCQKSLYTSCHED-GOSISDBHSA-N 0 0 454.702 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2nccnc2SCc2ccccc2)CC1 ZINC001546137715 1068342216 /nfs/dbraw/zinc/34/22/16/1068342216.db2.gz BTGHXOKJPLQXTC-UHFFFAOYSA-N 0 0 456.612 4.536 20 0 JJADRN Cc1cc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)c(C)cc1Br ZINC001463281524 1068342959 /nfs/dbraw/zinc/34/29/59/1068342959.db2.gz APWKOPOVVTVDQK-UHFFFAOYSA-N 0 0 459.818 4.850 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)Cc1c(Br)cccc1OC ZINC001463280356 1068343037 /nfs/dbraw/zinc/34/30/37/1068343037.db2.gz POXWUGYXEVSHGA-GOSISDBHSA-N 0 0 456.402 4.673 20 0 JJADRN O=C(Nc1nc2c(cc(F)cc2Br)s1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001463281160 1068343226 /nfs/dbraw/zinc/34/32/26/1068343226.db2.gz SUFUURNRFKGYND-UHFFFAOYSA-N 0 0 452.696 4.684 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2nc3c(cc(F)cc3Br)s2)C1 ZINC001463282715 1068343640 /nfs/dbraw/zinc/34/36/40/1068343640.db2.gz CHCFFJYAQPFFHR-LLVKDONJSA-N 0 0 456.337 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2nc3c(cc(F)cc3Br)s2)C1 ZINC001463285086 1068344295 /nfs/dbraw/zinc/34/42/95/1068344295.db2.gz PLVCLQNRWJSGNM-OVWNDWIMSA-N 0 0 470.364 4.784 20 0 JJADRN COC(=O)C(C)(C)[C@H](NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1ccccc1 ZINC001463287870 1068345204 /nfs/dbraw/zinc/34/52/04/1068345204.db2.gz NCXKQEIDXOBPFX-HSZRJFAPSA-N 0 0 459.608 4.865 20 0 JJADRN Cc1sc([C@H](C)NS(=O)(=O)c2cncc(OC(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001463288115 1068345483 /nfs/dbraw/zinc/34/54/83/1068345483.db2.gz RHANMULTMSWWFY-ZDUSSCGKSA-N 0 0 452.001 4.994 20 0 JJADRN C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294748 1068348145 /nfs/dbraw/zinc/34/81/45/1068348145.db2.gz SVCOIXPZDLGEIB-GWCFXTLKSA-N 0 0 453.185 4.546 20 0 JJADRN C[C@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294757 1068348247 /nfs/dbraw/zinc/34/82/47/1068348247.db2.gz SVCOIXPZDLGEIB-ZWNOBZJWSA-N 0 0 453.185 4.546 20 0 JJADRN COc1ccc(Br)cc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001463301267 1068349909 /nfs/dbraw/zinc/34/99/09/1068349909.db2.gz HOPFFALMEBUHDQ-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)c3ccccc3n2)cc1 ZINC001463304050 1068350324 /nfs/dbraw/zinc/35/03/24/1068350324.db2.gz REBZMDRABDOERH-UHFFFAOYSA-N 0 0 459.571 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCc1ccccc1SC(F)(F)F ZINC001463304299 1068350567 /nfs/dbraw/zinc/35/05/67/1068350567.db2.gz JFGSOFMFXXUJAT-AWEZNQCLSA-N 0 0 450.548 4.657 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC001463305771 1068351055 /nfs/dbraw/zinc/35/10/55/1068351055.db2.gz DXJQBLKLCBUMPW-HNNXBMFYSA-N 0 0 451.720 4.692 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)c3ccc4ccc(Cl)cc4n3)[nH]c2c(Br)c1 ZINC001463315641 1068353289 /nfs/dbraw/zinc/35/32/89/1068353289.db2.gz AVPLDHFZPHKEBD-UHFFFAOYSA-N 0 0 459.687 4.566 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)sc1Br ZINC001463316680 1068353818 /nfs/dbraw/zinc/35/38/18/1068353818.db2.gz FMIYGXWQRHQHKZ-INIZCTEOSA-N 0 0 457.802 4.935 20 0 JJADRN CC(C)COc1ncccc1C(=O)N1CCCc2cc(CCNC(=O)OC(C)(C)C)ccc21 ZINC001463320788 1068355027 /nfs/dbraw/zinc/35/50/27/1068355027.db2.gz DUBJBNVFJUFCMN-UHFFFAOYSA-N 0 0 453.583 4.777 20 0 JJADRN CCOc1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c(C(=O)OC)c1F ZINC001463320862 1068355396 /nfs/dbraw/zinc/35/53/96/1068355396.db2.gz PFKCTMNVYURAHW-UHFFFAOYSA-N 0 0 452.269 4.756 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NC(CCc1ccccc1)CCc1ccccc1 ZINC001463321789 1068356077 /nfs/dbraw/zinc/35/60/77/1068356077.db2.gz OEMLHKRBVWLVFL-VXKWHMMOSA-N 0 0 455.542 4.650 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)c(C(=O)OC)c1F ZINC001463322009 1068356203 /nfs/dbraw/zinc/35/62/03/1068356203.db2.gz SCPPXYIUMJLHMT-UHFFFAOYSA-N 0 0 457.502 4.951 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001463323879 1068356682 /nfs/dbraw/zinc/35/66/82/1068356682.db2.gz GHGQKHUUTNWXLZ-IAGOWNOFSA-N 0 0 458.580 4.900 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)oc2c1 ZINC001463333397 1068359396 /nfs/dbraw/zinc/35/93/96/1068359396.db2.gz DRBSPIUZUNBCPC-UHFFFAOYSA-N 0 0 454.935 4.893 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)CC1 ZINC001463334711 1068359723 /nfs/dbraw/zinc/35/97/23/1068359723.db2.gz DFVXGJCOCQWCMT-UHFFFAOYSA-N 0 0 459.587 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@@H]([C@@H]3CCOC3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463335616 1068360632 /nfs/dbraw/zinc/36/06/32/1068360632.db2.gz NVKRFEIOCJDHEN-PRTQVNTJSA-N 0 0 477.045 4.956 20 0 JJADRN O=C(c1cncc(I)c1)N1c2ccccc2CC[C@@H]1Cc1ccccc1 ZINC001463336877 1068361021 /nfs/dbraw/zinc/36/10/21/1068361021.db2.gz WTNGYKXOUPXQSJ-HXUWFJFHSA-N 0 0 454.311 4.891 20 0 JJADRN O=C(c1cncc(I)c1)N1c2ccccc2CC[C@H]1Cc1ccccc1 ZINC001463336873 1068361032 /nfs/dbraw/zinc/36/10/32/1068361032.db2.gz WTNGYKXOUPXQSJ-FQEVSTJZSA-N 0 0 454.311 4.891 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccc(Cl)c2nonc21 ZINC001463339085 1068361787 /nfs/dbraw/zinc/36/17/87/1068361787.db2.gz UGSUQOLTEACYDX-KRWDZBQOSA-N 0 0 452.294 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001463339301 1068361893 /nfs/dbraw/zinc/36/18/93/1068361893.db2.gz ZAQDUWVFJNCDHT-VABKMULXSA-N 0 0 450.579 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)CCc3cccc(Br)c3)CC2)CC1 ZINC001463339623 1068361913 /nfs/dbraw/zinc/36/19/13/1068361913.db2.gz NMPZRJJMXMRDJK-UHFFFAOYSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)s1 ZINC001463340268 1068362265 /nfs/dbraw/zinc/36/22/65/1068362265.db2.gz VQZKFMXFTUBVCO-UHFFFAOYSA-N 0 0 450.293 4.754 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)NC3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2c1 ZINC001463340253 1068362503 /nfs/dbraw/zinc/36/25/03/1068362503.db2.gz VGJKLZSWEQQPHM-UHFFFAOYSA-N 0 0 459.974 4.806 20 0 JJADRN CN1CCN(C(=O)CSc2ccccc2Br)c2cc(Br)ccc21 ZINC001463341719 1068362973 /nfs/dbraw/zinc/36/29/73/1068362973.db2.gz QUMSUVBWHOKIHX-UHFFFAOYSA-N 0 0 456.203 4.787 20 0 JJADRN CCCCCCn1nc(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)c2ccccc2c1=O ZINC001463345277 1068364348 /nfs/dbraw/zinc/36/43/48/1068364348.db2.gz LIXFBOVNCWIJKQ-UHFFFAOYSA-N 0 0 459.905 4.808 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC001463346057 1068365028 /nfs/dbraw/zinc/36/50/28/1068365028.db2.gz FAWVRORWHAJECX-XMMPIXPASA-N 0 0 453.560 4.581 20 0 JJADRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)cc1 ZINC001463345237 1068365090 /nfs/dbraw/zinc/36/50/90/1068365090.db2.gz AUJCBQDLGFMNAK-UHFFFAOYSA-N 0 0 458.967 4.928 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3ccccc3N=S(C)(C)=O)nc21 ZINC001463345899 1068365839 /nfs/dbraw/zinc/36/58/39/1068365839.db2.gz JLFQFMQYPLQJHU-UHFFFAOYSA-N 0 0 454.371 4.679 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC001463350028 1068366797 /nfs/dbraw/zinc/36/67/97/1068366797.db2.gz TWMRLFHDGWBQFE-ZDUSSCGKSA-N 0 0 456.377 4.730 20 0 JJADRN O=S(=O)(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463349369 1068367033 /nfs/dbraw/zinc/36/70/33/1068367033.db2.gz SKHUJMWGJDIORC-HYBUGGRVSA-N 0 0 455.551 4.851 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001463353796 1068368054 /nfs/dbraw/zinc/36/80/54/1068368054.db2.gz BIMKLKVLXKQKFV-NRFANRHFSA-N 0 0 451.007 4.911 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)CCC2Cc3ccccc3C2)cc1OC ZINC001463352973 1068368177 /nfs/dbraw/zinc/36/81/77/1068368177.db2.gz BASVGQCNCROEHP-UHFFFAOYSA-N 0 0 457.636 4.973 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)cc1C ZINC001463354558 1068368484 /nfs/dbraw/zinc/36/84/84/1068368484.db2.gz WBHAOWMEWLCYLZ-UHFFFAOYSA-N 0 0 455.967 4.865 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001463354159 1068368519 /nfs/dbraw/zinc/36/85/19/1068368519.db2.gz AFQXHTIBGWLMFJ-WMLDXEAASA-N 0 0 457.967 4.726 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cc1ccc(OC(F)F)cc1)CC2 ZINC001463354478 1068368647 /nfs/dbraw/zinc/36/86/47/1068368647.db2.gz DYNRWKVLULEPQW-FQEVSTJZSA-N 0 0 452.542 4.715 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@@H]4C(C)C)CC3)c21 ZINC001463355386 1068368884 /nfs/dbraw/zinc/36/88/84/1068368884.db2.gz HCAJKFIDICVBAA-HSZRJFAPSA-N 0 0 455.599 4.603 20 0 JJADRN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2F)C2CCCCC2)c1 ZINC001463357304 1068369553 /nfs/dbraw/zinc/36/95/53/1068369553.db2.gz GFLPSAGBCFSCHN-UHFFFAOYSA-N 0 0 452.979 4.705 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC001463359554 1068370817 /nfs/dbraw/zinc/37/08/17/1068370817.db2.gz MTSOSFWXMIRTMV-UHFFFAOYSA-N 0 0 456.029 4.701 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001463359936 1068370854 /nfs/dbraw/zinc/37/08/54/1068370854.db2.gz LKFUJZHBHZOIIA-UHFFFAOYSA-N 0 0 451.452 4.663 20 0 JJADRN O=S(=O)(NC(Cc1ccccc1F)Cc1ccccc1F)c1cnc(Cl)cc1Cl ZINC001463359324 1068370885 /nfs/dbraw/zinc/37/08/85/1068370885.db2.gz KXCWCQHFVHOXJO-UHFFFAOYSA-N 0 0 457.329 4.799 20 0 JJADRN Cc1cc(-c2cc(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)c3c(C)noc3n2)c(C)o1 ZINC001463363496 1068372503 /nfs/dbraw/zinc/37/25/03/1068372503.db2.gz SUEUGSJLOWMNCU-UHFFFAOYSA-N 0 0 459.428 4.532 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)c1nn(-c3ccccc3F)c(C)cc1=O)C[C@@H](C)C2 ZINC001463364470 1068373068 /nfs/dbraw/zinc/37/30/68/1068373068.db2.gz VRBSKGXKQGLHRC-ZDUSSCGKSA-N 0 0 459.443 4.846 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001463365642 1068373698 /nfs/dbraw/zinc/37/36/98/1068373698.db2.gz ZXVKPPLYBUEUKE-LEWJYISDSA-N 0 0 455.480 4.879 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C2 ZINC001463368119 1068374035 /nfs/dbraw/zinc/37/40/35/1068374035.db2.gz AMRXNNMWNOIZFT-CQSZACIVSA-N 0 0 455.723 4.631 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N(C)Cc1ccn(C)n1 ZINC001463368843 1068374668 /nfs/dbraw/zinc/37/46/68/1068374668.db2.gz WGQDZZMKMJUWRQ-SYYKKAFVSA-N 0 0 457.640 4.788 20 0 JJADRN CC(=O)c1cc(Br)c(F)cc1OS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001463371187 1068375296 /nfs/dbraw/zinc/37/52/96/1068375296.db2.gz CFZCJBUTHHGYAE-UHFFFAOYSA-N 0 0 459.186 4.716 20 0 JJADRN COc1ccc(Br)cc1CN(C)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001463373550 1068375554 /nfs/dbraw/zinc/37/55/54/1068375554.db2.gz IWKHFNLUASPNCL-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCCc2ccccc2Br)C1 ZINC001463373364 1068375571 /nfs/dbraw/zinc/37/55/71/1068375571.db2.gz IOCSQUYVVGUXIQ-JTSKRJEESA-N 0 0 451.405 4.678 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)s1 ZINC001463376114 1068376754 /nfs/dbraw/zinc/37/67/54/1068376754.db2.gz BTHIZVWTXAWGHG-DFBJGRDBSA-N 0 0 455.624 4.875 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(Br)o2)CCOCC1 ZINC001546138539 1068376970 /nfs/dbraw/zinc/37/69/70/1068376970.db2.gz DLHPPMZETSXWOC-UHFFFAOYSA-N 0 0 474.403 4.847 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)c2cccc(Cl)c2)cc1 ZINC001463379667 1068377498 /nfs/dbraw/zinc/37/74/98/1068377498.db2.gz ALULCLXDZLOOST-VJBWXMMDSA-N 0 0 450.000 4.705 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463378640 1068377554 /nfs/dbraw/zinc/37/75/54/1068377554.db2.gz PKOGRUOPLIIMGF-QPPBQGQZSA-N 0 0 455.551 4.778 20 0 JJADRN O=Cc1ccc(OCc2ccccc2)cc1OS(=O)(=O)c1sccc1Br ZINC001463380661 1068377991 /nfs/dbraw/zinc/37/79/91/1068377991.db2.gz AQBSPXWWNSBWEY-UHFFFAOYSA-N 0 0 453.335 4.670 20 0 JJADRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463380752 1068378139 /nfs/dbraw/zinc/37/81/39/1068378139.db2.gz GPZNEUUHNOOUKS-ZUOKHONESA-N 0 0 452.345 4.532 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 ZINC001463381610 1068378743 /nfs/dbraw/zinc/37/87/43/1068378743.db2.gz HHGHKHKWTBMLFV-FQEVSTJZSA-N 0 0 450.343 4.848 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)s1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001463382524 1068378781 /nfs/dbraw/zinc/37/87/81/1068378781.db2.gz PGLSHBFOBYBAID-UHFFFAOYSA-N 0 0 452.951 4.707 20 0 JJADRN COC(=O)c1oc(S(=O)(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C ZINC001463381912 1068378806 /nfs/dbraw/zinc/37/88/06/1068378806.db2.gz KICSANILBCESKC-SFHVURJKSA-N 0 0 454.331 4.749 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1 ZINC001463383134 1068379121 /nfs/dbraw/zinc/37/91/21/1068379121.db2.gz UOPALKRFBMUGQI-AWEZNQCLSA-N 0 0 451.155 4.780 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2ccc(-n3ncc4ccccc43)cc2)cc1Br ZINC001463382718 1068379266 /nfs/dbraw/zinc/37/92/66/1068379266.db2.gz LNTYDCBEFLFESV-UHFFFAOYSA-N 0 0 459.321 4.564 20 0 JJADRN C[S@](=O)(=NS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1)c1ccccc1 ZINC001463385754 1068379734 /nfs/dbraw/zinc/37/97/34/1068379734.db2.gz CHZNMQIDWPVOES-MUUNZHRXSA-N 0 0 452.960 4.887 20 0 JJADRN COC(=O)c1cc(F)ccc1S(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001463384253 1068379774 /nfs/dbraw/zinc/37/97/74/1068379774.db2.gz UOBPYVIEYFIDSQ-UHFFFAOYSA-N 0 0 459.461 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1 ZINC001463386876 1068380606 /nfs/dbraw/zinc/38/06/06/1068380606.db2.gz DILAONNZWMGBTK-QGZVFWFLSA-N 0 0 453.474 4.595 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC001463387555 1068380773 /nfs/dbraw/zinc/38/07/73/1068380773.db2.gz DBPBZAGRDXSAAL-UHFFFAOYSA-N 0 0 453.336 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)/C=C\c2cnc(C(C)(C)C)s2)n1 ZINC001463389499 1068381910 /nfs/dbraw/zinc/38/19/10/1068381910.db2.gz JDTZGGLTCYZJSO-ZBTGYSDGSA-N 0 0 457.600 4.955 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1cccc2cc(=O)[nH]cc21)C(F)(F)F ZINC001463391177 1068382057 /nfs/dbraw/zinc/38/20/57/1068382057.db2.gz FKPIVDSUPRMOLD-HXUWFJFHSA-N 0 0 454.452 4.819 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)C(F)(F)F ZINC001463393429 1068382460 /nfs/dbraw/zinc/38/24/60/1068382460.db2.gz HBIMLPXSHBPBHU-IFMALSPDSA-N 0 0 457.496 4.872 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001463393926 1068382599 /nfs/dbraw/zinc/38/25/99/1068382599.db2.gz LFKNQJWRTUCLND-BVZFJXPGSA-N 0 0 459.587 4.687 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C ZINC001463394027 1068382997 /nfs/dbraw/zinc/38/29/97/1068382997.db2.gz LYQYTARELNGHCE-AWEZNQCLSA-N 0 0 453.461 4.997 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC001463397856 1068383817 /nfs/dbraw/zinc/38/38/17/1068383817.db2.gz NYYCGIPVYBUONV-RCZVLFRGSA-N 0 0 453.560 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)C2(c3c(F)cccc3F)CCC2)n1 ZINC001463398140 1068383872 /nfs/dbraw/zinc/38/38/72/1068383872.db2.gz WHZJCQCSGGJVJM-KRWDZBQOSA-N 0 0 458.509 4.887 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC001463397874 1068384014 /nfs/dbraw/zinc/38/40/14/1068384014.db2.gz NYYCGIPVYBUONV-WIOPSUGQSA-N 0 0 453.560 4.632 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)c(OC)c1 ZINC001463399594 1068384177 /nfs/dbraw/zinc/38/41/77/1068384177.db2.gz MBQBRDDKLPXPEU-VFNWGFHPSA-N 0 0 458.530 4.695 20 0 JJADRN COc1cc(F)c(C(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c(Cl)c1 ZINC001463398792 1068384541 /nfs/dbraw/zinc/38/45/41/1068384541.db2.gz YLGUYEZJMHBVBX-HNNXBMFYSA-N 0 0 450.898 4.602 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402030 1068385187 /nfs/dbraw/zinc/38/51/87/1068385187.db2.gz XGZNQANJQSFCAL-HYBUGGRVSA-N 0 0 453.535 4.752 20 0 JJADRN CCCCn1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)c(C)n1 ZINC001463403934 1068385776 /nfs/dbraw/zinc/38/57/76/1068385776.db2.gz ZIXNOXNSPDDVFD-ILBGXUMGSA-N 0 0 453.608 4.920 20 0 JJADRN CCCCn1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)c(C)n1 ZINC001463403945 1068385961 /nfs/dbraw/zinc/38/59/61/1068385961.db2.gz ZIXNOXNSPDDVFD-ZCYQVOJMSA-N 0 0 453.608 4.920 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C(F)(F)F ZINC001463405853 1068386336 /nfs/dbraw/zinc/38/63/36/1068386336.db2.gz XBQUOGJJJMXGTA-OTWHNJEPSA-N 0 0 465.516 4.619 20 0 JJADRN O=S(=O)(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc(Cl)cc(Br)c1 ZINC001463405963 1068386538 /nfs/dbraw/zinc/38/65/38/1068386538.db2.gz SWPWHHBJLARWET-HNNXBMFYSA-N 0 0 451.169 4.948 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2nccc(Cl)c21 ZINC001463408019 1068386986 /nfs/dbraw/zinc/38/69/86/1068386986.db2.gz AHJLLLWRVYPDMB-CYBMUJFWSA-N 0 0 457.783 4.817 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)cc1C(C)C ZINC001463408444 1068387239 /nfs/dbraw/zinc/38/72/39/1068387239.db2.gz BKKGCGNHCNGWRH-UHFFFAOYSA-N 0 0 455.624 4.971 20 0 JJADRN Cc1ccc2[nH]c([C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC(F)F)C3)nc2c1 ZINC001463408365 1068387305 /nfs/dbraw/zinc/38/73/05/1068387305.db2.gz ZWSGFYQLYYJZMO-ZDUSSCGKSA-N 0 0 455.914 4.694 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCc3c(Br)ccc(C)c32)cc1Br ZINC001463409395 1068387518 /nfs/dbraw/zinc/38/75/18/1068387518.db2.gz GSAKSJQEXLZFAZ-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1OC ZINC001463410247 1068388020 /nfs/dbraw/zinc/38/80/20/1068388020.db2.gz JEWOIKKFTNPHEP-SNYIIPAISA-N 0 0 453.645 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC001463411635 1068388082 /nfs/dbraw/zinc/38/80/82/1068388082.db2.gz LZQDAJMXYKMQIV-NRFANRHFSA-N 0 0 455.368 4.984 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463411430 1068388656 /nfs/dbraw/zinc/38/86/56/1068388656.db2.gz MYQZBHXXBSRQIF-HNNXBMFYSA-N 0 0 458.324 4.650 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2cc(C)cnc2Cl)cc1OC ZINC001463413628 1068389925 /nfs/dbraw/zinc/38/99/25/1068389925.db2.gz RQLWYURCNLERJQ-FUHWJXTLSA-N 0 0 453.004 4.830 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463414031 1068390271 /nfs/dbraw/zinc/39/02/71/1068390271.db2.gz XQDOBKZIGUZNIP-DIFFPNOSSA-N 0 0 450.757 4.605 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001463415651 1068390628 /nfs/dbraw/zinc/39/06/28/1068390628.db2.gz XVHVWELXTCIIDC-JTQLQIEISA-N 0 0 458.169 4.997 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3cccc(Oc4cccnc4)c3)ccc21 ZINC001463419129 1068391603 /nfs/dbraw/zinc/39/16/03/1068391603.db2.gz BLTYMEKHDLXHFE-UHFFFAOYSA-N 0 0 452.532 4.676 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)c1ccc(C)c(F)c1 ZINC001463422417 1068392076 /nfs/dbraw/zinc/39/20/76/1068392076.db2.gz YJFVHPZOMOQTGB-QGZVFWFLSA-N 0 0 457.365 4.593 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2cccc(Oc3cccnc3)c2)cc1Br ZINC001463422885 1068392542 /nfs/dbraw/zinc/39/25/42/1068392542.db2.gz NHMNPVUFWQYNSY-UHFFFAOYSA-N 0 0 450.310 4.803 20 0 JJADRN O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1 ZINC001463424479 1068392623 /nfs/dbraw/zinc/39/26/23/1068392623.db2.gz BGPPLBCFWFNYKN-MFOYZWKCSA-N 0 0 459.815 4.759 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001463423702 1068392633 /nfs/dbraw/zinc/39/26/33/1068392633.db2.gz LCYWSUMKCVWJAM-INIZCTEOSA-N 0 0 457.427 4.869 20 0 JJADRN Cc1cc2occ(CC(=O)Oc3cnn4c3CN(C(=O)OC(C)(C)C)CC4)c2cc1C(C)C ZINC001463427166 1068393232 /nfs/dbraw/zinc/39/32/32/1068393232.db2.gz PHGFLXPAGNHQII-UHFFFAOYSA-N 0 0 453.539 4.960 20 0 JJADRN O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001463428873 1068394244 /nfs/dbraw/zinc/39/42/44/1068394244.db2.gz MRXSMSFIMKRDCH-WOGUSJMUSA-N 0 0 463.949 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC001463434784 1068395940 /nfs/dbraw/zinc/39/59/40/1068395940.db2.gz IGFWLZCHXNLSPM-IBGZPJMESA-N 0 0 451.567 4.706 20 0 JJADRN CN([C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001463435945 1068396910 /nfs/dbraw/zinc/39/69/10/1068396910.db2.gz MPTSDKHGEKPVNV-AZUAARDMSA-N 0 0 450.482 4.504 20 0 JJADRN CC1(C)CCCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c2ccccc21 ZINC001463436916 1068397236 /nfs/dbraw/zinc/39/72/36/1068397236.db2.gz OXSHZZMOUGRZJL-OAQYLSRUSA-N 0 0 456.608 4.553 20 0 JJADRN Cn1cncc1C1CCN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001463439984 1068398073 /nfs/dbraw/zinc/39/80/73/1068398073.db2.gz WUIROHIAOGDQCX-JOCHJYFZSA-N 0 0 454.368 4.709 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cccc(Br)c2)C(C)(C)O1 ZINC001463440063 1068398312 /nfs/dbraw/zinc/39/83/12/1068398312.db2.gz QROFUJWGDQXGKR-LJQANCHMSA-N 0 0 452.414 4.986 20 0 JJADRN CCCc1c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1-c1cccc(C)c1 ZINC001463443941 1068398828 /nfs/dbraw/zinc/39/88/28/1068398828.db2.gz ZLZMLJGWDHZXDG-HXUWFJFHSA-N 0 0 454.615 4.900 20 0 JJADRN O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001463445360 1068399643 /nfs/dbraw/zinc/39/96/43/1068399643.db2.gz USLTZIYYZWGHHA-UHFFFAOYSA-N 0 0 455.542 4.775 20 0 JJADRN COc1cc([C@H](C)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)ccc1S(C)(=O)=O ZINC001463447370 1068399746 /nfs/dbraw/zinc/39/97/46/1068399746.db2.gz UNPJMLHMRAEPJQ-SFHVURJKSA-N 0 0 451.588 4.921 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccc1Cl)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001463449312 1068400957 /nfs/dbraw/zinc/40/09/57/1068400957.db2.gz ORUMCFVHUXZEOT-UZLBHIALSA-N 0 0 457.901 4.589 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(OC)cc(Br)c1OC ZINC001463451735 1068401761 /nfs/dbraw/zinc/40/17/61/1068401761.db2.gz MLVPJWCJGXTYMF-GFCCVEGCSA-N 0 0 453.402 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)C[C@]23CCCC[C@H]2C3(F)F)CC1 ZINC001463452459 1068402099 /nfs/dbraw/zinc/40/20/99/1068402099.db2.gz IWFKTHWOMSVRQV-DNVCBOLYSA-N 0 0 454.480 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)Cc3cccc(Cl)c3Cl)n2)C1 ZINC001463452564 1068402197 /nfs/dbraw/zinc/40/21/97/1068402197.db2.gz ISWWHDSQOJQDRG-CQSZACIVSA-N 0 0 451.354 4.689 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N2CCO[C@H](C(C)(C)C)CC2)s1 ZINC001463454347 1068403438 /nfs/dbraw/zinc/40/34/38/1068403438.db2.gz NLVLNGBYIMAPIQ-KRWDZBQOSA-N 0 0 453.402 4.858 20 0 JJADRN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CCO1 ZINC001463454106 1068403447 /nfs/dbraw/zinc/40/34/47/1068403447.db2.gz MVVWWTNGPUTNDA-INIZCTEOSA-N 0 0 457.411 4.846 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(Br)c(Cl)c2)CC[C@H](C)c2ccccc21 ZINC001463454318 1068403484 /nfs/dbraw/zinc/40/34/84/1068403484.db2.gz UAMXACCQHJOZSV-YEJXKQKISA-N 0 0 450.760 4.727 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001463457747 1068406001 /nfs/dbraw/zinc/40/60/01/1068406001.db2.gz HZUYSADQWHYCRB-KRWDZBQOSA-N 0 0 452.345 4.725 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001463457649 1068406097 /nfs/dbraw/zinc/40/60/97/1068406097.db2.gz GOUAPWQEAZLQFT-PXNSSMCTSA-N 0 0 468.457 4.868 20 0 JJADRN CCOC(=O)c1ccccc1S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001463462601 1068407759 /nfs/dbraw/zinc/40/77/59/1068407759.db2.gz SNCPUGWWWJNEFJ-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCCC[C@]12CCCOC2 ZINC001463463578 1068408286 /nfs/dbraw/zinc/40/82/86/1068408286.db2.gz VXXRUXBZRXKHGY-DYESRHJHSA-N 0 0 455.380 4.812 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001463463736 1068408343 /nfs/dbraw/zinc/40/83/43/1068408343.db2.gz PIQDRTXLCKDRSJ-MRXNPFEDSA-N 0 0 459.999 4.933 20 0 JJADRN COc1cc(Br)c(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)cc1OC ZINC001463464197 1068409047 /nfs/dbraw/zinc/40/90/47/1068409047.db2.gz AHXLIFSIRNDTRC-KRWDZBQOSA-N 0 0 455.352 4.618 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1)N1CCCC1 ZINC001463464831 1068410059 /nfs/dbraw/zinc/41/00/59/1068410059.db2.gz FTDDBBMXRVLEPR-JOCHJYFZSA-N 0 0 459.615 4.552 20 0 JJADRN CCc1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(C)cc1OC ZINC001463467442 1068410766 /nfs/dbraw/zinc/41/07/66/1068410766.db2.gz RCAHTYFSPBCNNP-GOSISDBHSA-N 0 0 456.377 4.993 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)cc1I ZINC001463467891 1068410812 /nfs/dbraw/zinc/41/08/12/1068410812.db2.gz LJBOHFGMUMPXRB-IBGZPJMESA-N 0 0 456.327 4.751 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3c4ccc(Cl)cc4C[C@@H]3C)cc2)c1C ZINC001463470250 1068412223 /nfs/dbraw/zinc/41/22/23/1068412223.db2.gz DOKDBNNBMMKKFC-HNNXBMFYSA-N 0 0 451.954 4.840 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)c2)cc1 ZINC001463471511 1068412339 /nfs/dbraw/zinc/41/23/39/1068412339.db2.gz QZFNFCHIKQVMEI-LVXARBLLSA-N 0 0 478.614 4.752 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)N3CCc4c(Br)ccc(Cl)c4C3)cc2s1 ZINC001463471862 1068413044 /nfs/dbraw/zinc/41/30/44/1068413044.db2.gz NHRCVHFPTHRGLG-UHFFFAOYSA-N 0 0 457.802 4.768 20 0 JJADRN COc1cc(CCNC(=O)c2cc(Br)c(C)cc2Br)cc(OC)c1 ZINC001463473858 1068413755 /nfs/dbraw/zinc/41/37/55/1068413755.db2.gz UHHQEHXCIRSKBJ-UHFFFAOYSA-N 0 0 457.162 4.510 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCc3c2cccc3-c2ccccc2)c1OC ZINC001463479720 1068415113 /nfs/dbraw/zinc/41/51/13/1068415113.db2.gz FTENCDXLXYXNSB-UHFFFAOYSA-N 0 0 457.935 4.554 20 0 JJADRN O=S(=O)(Cc1cc(-c2ccccc2)no1)N1CC=C(c2cccc(Br)c2)CC1 ZINC001463481445 1068415823 /nfs/dbraw/zinc/41/58/23/1068415823.db2.gz CFBAPJRRETXGSZ-UHFFFAOYSA-N 0 0 459.365 4.723 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001463489911 1068417721 /nfs/dbraw/zinc/41/77/21/1068417721.db2.gz WWOAIUBZHHNPHW-INIZCTEOSA-N 0 0 450.923 4.539 20 0 JJADRN Cc1cccc(NC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)c1I ZINC001463490496 1068417755 /nfs/dbraw/zinc/41/77/55/1068417755.db2.gz HIDZCXSOMOVMOS-LUAWRHEFSA-N 0 0 453.276 4.800 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNS(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC001463492476 1068418459 /nfs/dbraw/zinc/41/84/59/1068418459.db2.gz GNALZVVBTAIQPL-CQSZACIVSA-N 0 0 458.805 4.818 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3C(=O)OC)CC2=O)cc1 ZINC001463495676 1068419137 /nfs/dbraw/zinc/41/91/37/1068419137.db2.gz VLYMIEBKRCZSRD-LJQANCHMSA-N 0 0 452.551 4.595 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC001463501876 1068421029 /nfs/dbraw/zinc/42/10/29/1068421029.db2.gz OEJHJTYQHKEWRY-UHFFFAOYSA-N 0 0 455.404 4.855 20 0 JJADRN O=C(CCc1nc(-c2ccccc2)no1)Oc1cc(Br)ccc1Br ZINC001463505429 1068421930 /nfs/dbraw/zinc/42/19/30/1068421930.db2.gz VKJYJBDSENRXIF-UHFFFAOYSA-N 0 0 452.102 4.800 20 0 JJADRN O=C1CCCc2cc(S(=O)(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)ccc21 ZINC001463506764 1068422684 /nfs/dbraw/zinc/42/26/84/1068422684.db2.gz VADIVCQPDPIXHC-QGZVFWFLSA-N 0 0 451.388 4.806 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1OCCC(C)C ZINC001463508856 1068423193 /nfs/dbraw/zinc/42/31/93/1068423193.db2.gz GJDFKGWOWDGLHO-UHFFFAOYSA-N 0 0 456.402 4.751 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001463510399 1068424036 /nfs/dbraw/zinc/42/40/36/1068424036.db2.gz GFLHPOIQKCRTKI-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN O=S(=O)(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCO[C@@H](COc2ccccc2)C1 ZINC001463511519 1068424640 /nfs/dbraw/zinc/42/46/40/1068424640.db2.gz KVWSQSDOPFNXMT-JOCHJYFZSA-N 0 0 459.951 4.601 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1ccc(Oc2ccccc2)nc1 ZINC001463514998 1068425251 /nfs/dbraw/zinc/42/52/51/1068425251.db2.gz VZZDJRUQNOKZTC-UHFFFAOYSA-N 0 0 454.287 4.735 20 0 JJADRN CCc1ccc([C@@H]2CN(S(=O)(=O)Cc3cccc(Cl)c3Br)CCO2)cc1 ZINC001463513212 1068425260 /nfs/dbraw/zinc/42/52/60/1068425260.db2.gz OFNTXRQTFXYZCA-SFHVURJKSA-N 0 0 458.805 4.568 20 0 JJADRN CCN(C(=O)CSc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463515832 1068425925 /nfs/dbraw/zinc/42/59/25/1068425925.db2.gz XXSMCUVIGYVRML-MRXNPFEDSA-N 0 0 457.434 4.789 20 0 JJADRN Cc1nnc2n1CCN(C(=O)C(C)(C)c1csc(-c3c(Cl)cccc3Cl)n1)[C@@H]2C ZINC001463519755 1068426660 /nfs/dbraw/zinc/42/66/60/1068426660.db2.gz UXFHGARNRPGBNI-LLVKDONJSA-N 0 0 450.395 4.898 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Oc1ccc(-c2c(C)noc2C)cc1 ZINC001463518113 1068426729 /nfs/dbraw/zinc/42/67/29/1068426729.db2.gz JBKOPPLPGGFLDL-UHFFFAOYSA-N 0 0 455.410 4.532 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cc3ccccc3s2)cc1Br ZINC001463522899 1068427411 /nfs/dbraw/zinc/42/74/11/1068427411.db2.gz BNVXPTRKYCRXGI-LLVKDONJSA-N 0 0 453.383 4.662 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001463522121 1068427442 /nfs/dbraw/zinc/42/74/42/1068427442.db2.gz OSMIQLWZSNEFII-UHFFFAOYSA-N 0 0 453.568 4.792 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc2ccccc2s1 ZINC001463522591 1068427453 /nfs/dbraw/zinc/42/74/53/1068427453.db2.gz ARIGJCJYKICZRT-MJGOQNOKSA-N 0 0 458.605 4.540 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001463523929 1068428089 /nfs/dbraw/zinc/42/80/89/1068428089.db2.gz FHGMTORJZNLNMR-NSHDSACASA-N 0 0 455.761 4.699 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463531546 1068429257 /nfs/dbraw/zinc/42/92/57/1068429257.db2.gz AWEBDZYUDPRYEJ-LBPRGKRZSA-N 0 0 450.320 4.999 20 0 JJADRN CCC1(CC)CCCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 ZINC001463530135 1068429274 /nfs/dbraw/zinc/42/92/74/1068429274.db2.gz NJKDSGDUNYRGSV-UHFFFAOYSA-N 0 0 457.434 4.705 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC001463528951 1068429343 /nfs/dbraw/zinc/42/93/43/1068429343.db2.gz NMEHCSLSFDGBKI-GOSISDBHSA-N 0 0 453.612 4.521 20 0 JJADRN CC[C@@H](CN(C)S(=O)(=O)c1onc(C2CC2)c1Cl)Oc1ccc(Cl)c(Cl)c1 ZINC001463532681 1068429934 /nfs/dbraw/zinc/42/99/34/1068429934.db2.gz LDFFAQVTRZYEHD-NSHDSACASA-N 0 0 453.775 4.990 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)c2)n1 ZINC001463532999 1068430813 /nfs/dbraw/zinc/43/08/13/1068430813.db2.gz JVPJYEQZBSBVSX-UHFFFAOYSA-N 0 0 450.482 4.987 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC001463533153 1068430848 /nfs/dbraw/zinc/43/08/48/1068430848.db2.gz LZUWCHUFAZEMRH-UHFFFAOYSA-N 0 0 451.869 4.654 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(S(=O)(=O)Oc3ccc(F)c(C(F)(F)F)c3)cc12 ZINC001463533600 1068431415 /nfs/dbraw/zinc/43/14/15/1068431415.db2.gz ZOCKQPPXNPNTCM-UHFFFAOYSA-N 0 0 451.401 4.655 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N(C)Cc2ccccc2Br)CC1 ZINC001463539245 1068433011 /nfs/dbraw/zinc/43/30/11/1068433011.db2.gz GBYONDIAFLBDGE-UHFFFAOYSA-N 0 0 453.174 4.910 20 0 JJADRN CCOC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c2ccccc21 ZINC001463538360 1068433847 /nfs/dbraw/zinc/43/38/47/1068433847.db2.gz LXWGETZTPXBPRB-QHCPKHFHSA-N 0 0 457.592 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC001463539107 1068433853 /nfs/dbraw/zinc/43/38/53/1068433853.db2.gz WHDXQRQJERACKR-CQSZACIVSA-N 0 0 457.861 4.672 20 0 JJADRN CC[C@H](CN(C)S(=O)(=O)c1cnc(Cl)c(OC)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001463540338 1068434501 /nfs/dbraw/zinc/43/45/01/1068434501.db2.gz FGFKOHPMIYOIDZ-LLVKDONJSA-N 0 0 453.775 4.529 20 0 JJADRN O=C(OCc1ccccc1)[C@@H](CNS(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC001463543944 1068435958 /nfs/dbraw/zinc/43/59/58/1068435958.db2.gz TUWKGKNDPBTCOB-SRNWCRMJSA-N 0 0 455.963 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccc(Cl)cc3Cl)cn2)C1 ZINC001463549092 1068438101 /nfs/dbraw/zinc/43/81/01/1068438101.db2.gz HFFCEKREPVCKOH-KRWDZBQOSA-N 0 0 453.370 4.692 20 0 JJADRN CC(C)(CC1CCCCCC1)NS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001463548383 1068438147 /nfs/dbraw/zinc/43/81/47/1068438147.db2.gz SWQXJKPBCWYPFP-QFIPXVFZSA-N 0 0 450.645 4.846 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC001463554294 1068439486 /nfs/dbraw/zinc/43/94/86/1068439486.db2.gz UOYBCFJAQBPWMB-UHFFFAOYSA-N 0 0 452.576 4.758 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC001463555844 1068440290 /nfs/dbraw/zinc/44/02/90/1068440290.db2.gz OEGKWURTMDCVDX-IBGZPJMESA-N 0 0 452.359 4.599 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)ccn1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC001463557015 1068440847 /nfs/dbraw/zinc/44/08/47/1068440847.db2.gz QOUNVSIZVXFTDO-UHFFFAOYSA-N 0 0 454.492 4.818 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001463557828 1068440961 /nfs/dbraw/zinc/44/09/61/1068440961.db2.gz CJMMTCQBGXPIHW-IEBWSBKVSA-N 0 0 452.414 4.928 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001463558079 1068441667 /nfs/dbraw/zinc/44/16/67/1068441667.db2.gz FQWPIAAXHJFAMS-IAGOWNOFSA-N 0 0 458.407 4.708 20 0 JJADRN CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561586 1068443433 /nfs/dbraw/zinc/44/34/33/1068443433.db2.gz QIYSDEWSKNIMGA-GOSISDBHSA-N 0 0 456.395 4.606 20 0 JJADRN O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc2cccnc21 ZINC001463563704 1068445016 /nfs/dbraw/zinc/44/50/16/1068445016.db2.gz MJRQCMPFKUMBLI-OAHLLOKOSA-N 0 0 459.287 4.969 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1C ZINC001463564494 1068445619 /nfs/dbraw/zinc/44/56/19/1068445619.db2.gz NELVPYCGIHIVTB-IBGZPJMESA-N 0 0 458.546 4.727 20 0 JJADRN O=S(=O)(Oc1cccc(OC(F)(F)F)c1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463564340 1068445864 /nfs/dbraw/zinc/44/58/64/1068445864.db2.gz MPUOPSYGRAHGND-MRXNPFEDSA-N 0 0 451.260 4.614 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(C3CC3)[nH]c2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463563958 1068445970 /nfs/dbraw/zinc/44/59/70/1068445970.db2.gz KEJDONHADSAOFK-UHFFFAOYSA-N 0 0 457.939 4.680 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001463565003 1068446543 /nfs/dbraw/zinc/44/65/43/1068446543.db2.gz PNNLVHAATZLKJY-JTQLQIEISA-N 0 0 453.185 4.945 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001463568973 1068448957 /nfs/dbraw/zinc/44/89/57/1068448957.db2.gz GBHIKWRFUQBLFN-MRXNPFEDSA-N 0 0 454.436 4.614 20 0 JJADRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001463568844 1068448985 /nfs/dbraw/zinc/44/89/85/1068448985.db2.gz PPILDYPFXYJARE-SNVBAGLBSA-N 0 0 454.392 4.587 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC001463568047 1068449061 /nfs/dbraw/zinc/44/90/61/1068449061.db2.gz LSUXYRDIZHSRIZ-INIZCTEOSA-N 0 0 452.580 4.987 20 0 JJADRN O=C(Cc1nc(C2CCCC2)cs1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463569331 1068449799 /nfs/dbraw/zinc/44/97/99/1068449799.db2.gz KKBQAIISKGVAEP-UHFFFAOYSA-N 0 0 454.459 4.512 20 0 JJADRN CCN([C@@H](C)Cc1ccsc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC001463569438 1068449804 /nfs/dbraw/zinc/44/98/04/1068449804.db2.gz DIUPQWPUXQARDD-NSHDSACASA-N 0 0 452.823 4.814 20 0 JJADRN C[C@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001463569353 1068449809 /nfs/dbraw/zinc/44/98/09/1068449809.db2.gz QZPPWKNMLGFNLJ-DJJJIMSYSA-N 0 0 450.457 4.955 20 0 JJADRN CC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463571922 1068451110 /nfs/dbraw/zinc/45/11/10/1068451110.db2.gz ZGOIVQGYPGQWTF-UHFFFAOYSA-N 0 0 457.821 4.909 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC001463571413 1068451141 /nfs/dbraw/zinc/45/11/41/1068451141.db2.gz VMVRYRFQNQWELN-GOSISDBHSA-N 0 0 451.976 4.579 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@](F)(c4cccc(C(F)(F)F)c4)C3)cc2)co1 ZINC001463579259 1068453648 /nfs/dbraw/zinc/45/36/48/1068453648.db2.gz MECDSGNPMSAWLO-FQEVSTJZSA-N 0 0 454.445 4.928 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC001463579591 1068454586 /nfs/dbraw/zinc/45/45/86/1068454586.db2.gz SBKITSQUUBSIOR-UHFFFAOYSA-N 0 0 450.757 4.506 20 0 JJADRN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463582337 1068455206 /nfs/dbraw/zinc/45/52/06/1068455206.db2.gz MWHVTVIEZUNPRG-AZUAARDMSA-N 0 0 451.386 4.871 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1Br ZINC001463581288 1068455319 /nfs/dbraw/zinc/45/53/19/1068455319.db2.gz SAJHQYZHPJIDPL-UHFFFAOYSA-N 0 0 458.324 4.604 20 0 JJADRN O=S(=O)(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc2onc(Cl)c2c1 ZINC001463581339 1068455423 /nfs/dbraw/zinc/45/54/23/1068455423.db2.gz SIXLGNKRIPVWQL-INIZCTEOSA-N 0 0 459.724 4.812 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)C[C@H](C)C(F)(F)F ZINC001463583960 1068456942 /nfs/dbraw/zinc/45/69/42/1068456942.db2.gz UHQJHGNXUXMTKN-NSHDSACASA-N 0 0 450.866 4.676 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)cc1 ZINC001463587606 1068458125 /nfs/dbraw/zinc/45/81/25/1068458125.db2.gz FJFRTVUEGYVDBF-UXHICEINSA-N 0 0 459.656 4.973 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001463599594 1068460821 /nfs/dbraw/zinc/46/08/21/1068460821.db2.gz SQLCWFUMFUBPHL-CQSZACIVSA-N 0 0 459.033 4.870 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463600312 1068461045 /nfs/dbraw/zinc/46/10/45/1068461045.db2.gz UNDUEFUUHLFRAE-CQSZACIVSA-N 0 0 459.033 4.870 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001463601303 1068461743 /nfs/dbraw/zinc/46/17/43/1068461743.db2.gz TZNPPDLKENEYDN-UHFFFAOYSA-N 0 0 450.944 4.791 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001463601501 1068461835 /nfs/dbraw/zinc/46/18/35/1068461835.db2.gz FQTKPRTXNLNGJB-MAUKXSAKSA-N 0 0 450.329 4.584 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2N2CCCCC2)c(C)c1C ZINC001463605618 1068463318 /nfs/dbraw/zinc/46/33/18/1068463318.db2.gz LBIRRRGRQIQEEL-UHFFFAOYSA-N 0 0 457.640 4.526 20 0 JJADRN O=S(=O)(c1c[nH]c2nccc(Cl)c21)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001463605614 1068463419 /nfs/dbraw/zinc/46/34/19/1068463419.db2.gz CVSKDNUTIXFAFQ-AWEZNQCLSA-N 0 0 458.740 4.644 20 0 JJADRN CN(Cc1cc(C(C)(C)C)n[nH]1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463607124 1068464032 /nfs/dbraw/zinc/46/40/32/1068464032.db2.gz LUMNOVKFXRSMNU-UHFFFAOYSA-N 0 0 455.205 4.597 20 0 JJADRN O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001463607557 1068464610 /nfs/dbraw/zinc/46/46/10/1068464610.db2.gz LQZCIBVKNBQHFP-UHFFFAOYSA-N 0 0 450.269 4.566 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(C)c1C ZINC001463608918 1068464693 /nfs/dbraw/zinc/46/46/93/1068464693.db2.gz YIQALKHPCRLOAM-LJQANCHMSA-N 0 0 451.430 4.548 20 0 JJADRN Cn1nccc1-c1ccc(F)cc1OS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463608013 1068464713 /nfs/dbraw/zinc/46/47/13/1068464713.db2.gz HHBIPACCRPGACR-UHFFFAOYSA-N 0 0 456.470 4.712 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)NCc3cnn(-c4ccc(Br)cc4)c3)ccc2c1 ZINC001463610728 1068465349 /nfs/dbraw/zinc/46/53/49/1068465349.db2.gz YLMLCGPXVCKLDC-UHFFFAOYSA-N 0 0 456.365 4.575 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001463616839 1068467773 /nfs/dbraw/zinc/46/77/73/1068467773.db2.gz CQSPWJWKXHVVBP-RTBURBONSA-N 0 0 450.608 4.848 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)CCCCN(C)C(=O)OC(C)(C)C)cc2)cc1 ZINC001463621728 1068470068 /nfs/dbraw/zinc/47/00/68/1068470068.db2.gz YFXCDUAEFBPIFL-UHFFFAOYSA-N 0 0 455.555 4.923 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@H]1CCCN1c1ccccc1 ZINC001463623621 1068470652 /nfs/dbraw/zinc/47/06/52/1068470652.db2.gz GMKWXFKJRLSGQX-JOCHJYFZSA-N 0 0 455.967 4.748 20 0 JJADRN Cc1cc(Cl)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1N ZINC001463623014 1068470778 /nfs/dbraw/zinc/47/07/78/1068470778.db2.gz AOQIKDJXKGEYES-UHFFFAOYSA-N 0 0 450.347 4.937 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001463624946 1068471381 /nfs/dbraw/zinc/47/13/81/1068471381.db2.gz JZGYYSRBCYOTJZ-UHFFFAOYSA-N 0 0 457.979 4.688 20 0 JJADRN CCCC[C@H](O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463624389 1068471461 /nfs/dbraw/zinc/47/14/61/1068471461.db2.gz IHUQZFXJHCEEER-SFHVURJKSA-N 0 0 458.502 4.776 20 0 JJADRN COc1cc(CN(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)ccc1OC(F)F ZINC001463626907 1068472947 /nfs/dbraw/zinc/47/29/47/1068472947.db2.gz OFIHWTUUBCAYAB-UHFFFAOYSA-N 0 0 450.482 4.594 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001546140464 1068474289 /nfs/dbraw/zinc/47/42/89/1068474289.db2.gz GAHSSZFKJHJAOA-GOSISDBHSA-N 0 0 450.530 4.956 20 0 JJADRN COc1cccc2[nH]c(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc21 ZINC001463628678 1068474295 /nfs/dbraw/zinc/47/42/95/1068474295.db2.gz ZFYFCMSZBRGQDK-UHFFFAOYSA-N 0 0 455.923 4.883 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1C ZINC001463629821 1068474999 /nfs/dbraw/zinc/47/49/99/1068474999.db2.gz LUWYZYILOWVUFT-UHFFFAOYSA-N 0 0 455.916 4.550 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1 ZINC001463631010 1068475505 /nfs/dbraw/zinc/47/55/05/1068475505.db2.gz FVBFDNZRPWYVRH-GOSISDBHSA-N 0 0 456.589 4.590 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N(CCc1ccccn1)Cc1cccnc1 ZINC001463631337 1068475529 /nfs/dbraw/zinc/47/55/29/1068475529.db2.gz GJPTWTVPDNNCFB-UHFFFAOYSA-N 0 0 455.889 4.582 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2)cc1 ZINC001463631660 1068475573 /nfs/dbraw/zinc/47/55/73/1068475573.db2.gz FZGNOFIWMVVCNK-UHFFFAOYSA-N 0 0 453.545 4.694 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)cc1 ZINC001463633760 1068476276 /nfs/dbraw/zinc/47/62/76/1068476276.db2.gz MJBXHHOQLZPQMR-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3ccnc(Oc4ccccc4F)c3)c2)n1 ZINC001463633600 1068476315 /nfs/dbraw/zinc/47/63/15/1068476315.db2.gz QIMVSSKNQVGBNY-UHFFFAOYSA-N 0 0 453.495 4.763 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2)cc1 ZINC001463633951 1068476829 /nfs/dbraw/zinc/47/68/29/1068476829.db2.gz NGKLASOLSKDGKP-JOCHJYFZSA-N 0 0 457.983 4.691 20 0 JJADRN CC(C)[C@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)c2ccccc21 ZINC001463638646 1068477477 /nfs/dbraw/zinc/47/74/77/1068477477.db2.gz YAUQBGPCANNKJG-FUPPJEDESA-N 0 0 456.608 4.671 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC001463638457 1068477542 /nfs/dbraw/zinc/47/75/42/1068477542.db2.gz DDSJYZICJGVKST-AWEZNQCLSA-N 0 0 455.424 4.764 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c1Br ZINC001463641648 1068478887 /nfs/dbraw/zinc/47/88/87/1068478887.db2.gz HXBQAAMTCCHDQZ-GOSISDBHSA-N 0 0 451.411 4.899 20 0 JJADRN O=C1CCc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccc(C(F)(F)F)cc3)ccc2N1 ZINC001463643806 1068479409 /nfs/dbraw/zinc/47/94/09/1068479409.db2.gz ZXCBAZLJUHSIGI-FQEVSTJZSA-N 0 0 452.498 4.896 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)ccc1C ZINC001463643446 1068479485 /nfs/dbraw/zinc/47/94/85/1068479485.db2.gz XDIGQBGKCUZXHP-IBGZPJMESA-N 0 0 453.560 4.790 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3cc(Br)ccc3C)ccc21 ZINC001463647617 1068480082 /nfs/dbraw/zinc/48/00/82/1068480082.db2.gz IONXFZVRRVQBSF-UHFFFAOYSA-N 0 0 452.370 4.559 20 0 JJADRN CN(Cc1ccc(F)cc1)C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001463649747 1068480817 /nfs/dbraw/zinc/48/08/17/1068480817.db2.gz JIOGIBOGRORSSP-QGZVFWFLSA-N 0 0 454.464 4.728 20 0 JJADRN O=S(=O)(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463650206 1068480821 /nfs/dbraw/zinc/48/08/21/1068480821.db2.gz INZRJXMKDFBUIL-WRWLIDTKSA-N 0 0 453.963 4.509 20 0 JJADRN O=S(=O)(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463650200 1068480858 /nfs/dbraw/zinc/48/08/58/1068480858.db2.gz INZRJXMKDFBUIL-OXFYSEKESA-N 0 0 453.963 4.509 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)CC1 ZINC001463652798 1068481397 /nfs/dbraw/zinc/48/13/97/1068481397.db2.gz HFRIMHSGFVRQKA-UHFFFAOYSA-N 0 0 453.963 4.707 20 0 JJADRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001463652812 1068481562 /nfs/dbraw/zinc/48/15/62/1068481562.db2.gz UIHKVWQFPHZFPN-INIZCTEOSA-N 0 0 459.951 4.745 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC001463652623 1068481621 /nfs/dbraw/zinc/48/16/21/1068481621.db2.gz GEUPSDHHJGHKKR-UHFFFAOYSA-N 0 0 452.532 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2C1 ZINC001463651741 1068481639 /nfs/dbraw/zinc/48/16/39/1068481639.db2.gz ZBGLQCAXQWCPPI-QFIPXVFZSA-N 0 0 453.583 4.530 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc1)CO2 ZINC001463653127 1068482440 /nfs/dbraw/zinc/48/24/40/1068482440.db2.gz KELBBZCBOFLTAN-OAQYLSRUSA-N 0 0 456.951 4.872 20 0 JJADRN COc1ccc(CCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001463657959 1068485178 /nfs/dbraw/zinc/48/51/78/1068485178.db2.gz WXIGMZMLQXQDQB-UHFFFAOYSA-N 0 0 458.602 4.960 20 0 JJADRN O=S(=O)(c1cnc(Cl)cc1Cl)N(Cc1cccc(Br)c1)CC1CC1 ZINC001463658041 1068485216 /nfs/dbraw/zinc/48/52/16/1068485216.db2.gz JLVIHVDMLYNGDT-UHFFFAOYSA-N 0 0 450.185 4.752 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001463665089 1068487762 /nfs/dbraw/zinc/48/77/62/1068487762.db2.gz MQDHLMDTVRRNEQ-QGZVFWFLSA-N 0 0 453.564 4.898 20 0 JJADRN C[C@@H](NC(=O)CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1ccc(Br)cc1 ZINC001463666443 1068488446 /nfs/dbraw/zinc/48/84/46/1068488446.db2.gz KXGSCUWAOSKJRY-OAHLLOKOSA-N 0 0 453.336 4.709 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)Oc3ccc(SC(F)(F)F)cc3)cc2N1 ZINC001463665316 1068488547 /nfs/dbraw/zinc/48/85/47/1068488547.db2.gz NXOAIWUVIGLWMX-UHFFFAOYSA-N 0 0 451.875 4.994 20 0 JJADRN O=S(=O)(NCC1(c2ccccn2)CCC1)c1cc(Br)c(Cl)cc1Cl ZINC001463679553 1068491791 /nfs/dbraw/zinc/49/17/91/1068491791.db2.gz LAJDLNAXJPEPGV-UHFFFAOYSA-N 0 0 450.185 4.551 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c1 ZINC001463682342 1068492402 /nfs/dbraw/zinc/49/24/02/1068492402.db2.gz UGFRRFRRNVKLME-HKUYNNGSSA-N 0 0 457.036 4.875 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001463683006 1068492434 /nfs/dbraw/zinc/49/24/34/1068492434.db2.gz FYXHQIZHTJGELO-HNNXBMFYSA-N 0 0 453.178 4.915 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(OC2CCCC2)cc1 ZINC001463687074 1068494217 /nfs/dbraw/zinc/49/42/17/1068494217.db2.gz YASLRRBKCLXMFI-MRXNPFEDSA-N 0 0 453.988 4.554 20 0 JJADRN C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC001463688161 1068494229 /nfs/dbraw/zinc/49/42/29/1068494229.db2.gz GZNCVIRTPJWIJR-OAQYLSRUSA-N 0 0 452.403 4.732 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463687981 1068494282 /nfs/dbraw/zinc/49/42/82/1068494282.db2.gz NBCWZZHTDCAXRH-BHYGNILZSA-N 0 0 459.452 4.715 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)c1 ZINC001463689647 1068494843 /nfs/dbraw/zinc/49/48/43/1068494843.db2.gz OALBHKRFQLHTCQ-UHFFFAOYSA-N 0 0 457.821 4.769 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(C)c1 ZINC001463693233 1068496014 /nfs/dbraw/zinc/49/60/14/1068496014.db2.gz CPMKHFZRYXMJAD-OAQYLSRUSA-N 0 0 457.514 4.859 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)c(C)c3O)ccc2C)cc1 ZINC001463694818 1068496783 /nfs/dbraw/zinc/49/67/83/1068496783.db2.gz PGXTWTZOSLUVTE-UHFFFAOYSA-N 0 0 454.548 4.769 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@](C)(CO)c3cc(Cl)cc(Cl)c3)ccc2nc1Cl ZINC001463697260 1068497102 /nfs/dbraw/zinc/49/71/02/1068497102.db2.gz ZKXOMWUYAGCXKV-LJQANCHMSA-N 0 0 459.782 4.689 20 0 JJADRN CCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)CCC1 ZINC001546140941 1068497288 /nfs/dbraw/zinc/49/72/88/1068497288.db2.gz RRZXFMBICQWRKW-QGZVFWFLSA-N 0 0 453.484 4.604 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699026 1068498543 /nfs/dbraw/zinc/49/85/43/1068498543.db2.gz PCDIZUOBMPRSRX-GOSISDBHSA-N 0 0 452.901 4.524 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)cc(Cl)c2O1 ZINC001463700276 1068499053 /nfs/dbraw/zinc/49/90/53/1068499053.db2.gz MBGNUUNOOFSNMZ-LLVKDONJSA-N 0 0 455.388 4.919 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700960 1068499150 /nfs/dbraw/zinc/49/91/50/1068499150.db2.gz SDLCWGSGGLBQKS-MRXNPFEDSA-N 0 0 456.864 4.522 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1C ZINC001463701972 1068499791 /nfs/dbraw/zinc/49/97/91/1068499791.db2.gz WWTXLXBLRXCFPX-OAQYLSRUSA-N 0 0 457.514 4.859 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)o1 ZINC001463701323 1068499813 /nfs/dbraw/zinc/49/98/13/1068499813.db2.gz AHBHTBIOUCZXDG-UHFFFAOYSA-N 0 0 451.527 4.542 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 ZINC001463704267 1068500300 /nfs/dbraw/zinc/50/03/00/1068500300.db2.gz ZEBNZYGRKVLVAN-UHFFFAOYSA-N 0 0 454.556 4.727 20 0 JJADRN COCC[C@@H](NS(=O)(=O)c1csnc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001463708005 1068501457 /nfs/dbraw/zinc/50/14/57/1068501457.db2.gz QMLOTGQQHTVPDN-QGZVFWFLSA-N 0 0 456.511 4.885 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCCOc1cccc(C)c1 ZINC001463713428 1068502602 /nfs/dbraw/zinc/50/26/02/1068502602.db2.gz YKVOEGIWYBMZFB-UHFFFAOYSA-N 0 0 459.612 4.683 20 0 JJADRN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001463715564 1068503106 /nfs/dbraw/zinc/50/31/06/1068503106.db2.gz HKUNCORAGXGLGP-UHFFFAOYSA-N 0 0 450.892 4.581 20 0 JJADRN O=C(c1cc(OCc2ccccc2)ccn1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001463714728 1068503183 /nfs/dbraw/zinc/50/31/83/1068503183.db2.gz SMRQQIAQHCDYCN-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN O=S(=O)(NC[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(Br)cc2c1OCC2 ZINC001463715168 1068503240 /nfs/dbraw/zinc/50/32/40/1068503240.db2.gz YTOJITGIDMXANM-IEBWSBKVSA-N 0 0 450.398 4.636 20 0 JJADRN Cc1ccc(CSCCNC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1 ZINC001463717479 1068503680 /nfs/dbraw/zinc/50/36/80/1068503680.db2.gz IGXVGJXIFVNUAH-SANMLTNESA-N 0 0 454.455 4.695 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC001463716734 1068503710 /nfs/dbraw/zinc/50/37/10/1068503710.db2.gz DZKJCPOCQXCPNU-DHIUTWEWSA-N 0 0 459.464 4.856 20 0 JJADRN C[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1)N(C)C(=O)OC(C)(C)C ZINC001463717929 1068503803 /nfs/dbraw/zinc/50/38/03/1068503803.db2.gz RQWIWPZCFOQOCK-KRWDZBQOSA-N 0 0 454.596 4.815 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463721051 1068504230 /nfs/dbraw/zinc/50/42/30/1068504230.db2.gz CPEXDCXEJMFVTA-QMMMGPOBSA-N 0 0 458.754 4.692 20 0 JJADRN CN(Cc1ccc(Cl)nc1)C(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001463721844 1068504391 /nfs/dbraw/zinc/50/43/91/1068504391.db2.gz DFUXXNFPHCGKKH-UHFFFAOYSA-N 0 0 458.990 4.575 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC001463721114 1068504929 /nfs/dbraw/zinc/50/49/29/1068504929.db2.gz KNNRCDJRPQWHSG-FQEVSTJZSA-N 0 0 455.624 4.882 20 0 JJADRN Cc1nnc(CC(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)s1 ZINC001463724356 1068505260 /nfs/dbraw/zinc/50/52/60/1068505260.db2.gz UDMRSZFERCIOSA-UHFFFAOYSA-N 0 0 451.983 4.613 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC001463732074 1068507554 /nfs/dbraw/zinc/50/75/54/1068507554.db2.gz RLSHIAORWRLOIL-UHFFFAOYSA-N 0 0 455.400 4.917 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cccc(Nc3nccs3)c2)c1 ZINC001463740786 1068508636 /nfs/dbraw/zinc/50/86/36/1068508636.db2.gz MNGGROJPIYEYLS-UHFFFAOYSA-N 0 0 458.609 4.786 20 0 JJADRN CSc1ncc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC001463740361 1068508801 /nfs/dbraw/zinc/50/88/01/1068508801.db2.gz FYDDZLOLCUOBCL-UHFFFAOYSA-N 0 0 459.575 4.646 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1 ZINC001463741265 1068509139 /nfs/dbraw/zinc/50/91/39/1068509139.db2.gz BGVBNCPMFGGNEU-GOSISDBHSA-N 0 0 453.608 4.758 20 0 JJADRN COc1ccc(CCCC(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c(OC)c1 ZINC001463741433 1068509148 /nfs/dbraw/zinc/50/91/48/1068509148.db2.gz DETMIQLHRNLIRH-GOSISDBHSA-N 0 0 453.608 4.542 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001463742726 1068509783 /nfs/dbraw/zinc/50/97/83/1068509783.db2.gz HDJXPJYJVDPJIM-HNNXBMFYSA-N 0 0 457.621 4.554 20 0 JJADRN CN([C@@H](CO)c1ccc(Cl)cc1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463745766 1068510752 /nfs/dbraw/zinc/51/07/52/1068510752.db2.gz HBAKPLQWGWHOGH-IBGZPJMESA-N 0 0 454.773 4.610 20 0 JJADRN CCOc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)sc2C)cc1 ZINC001463751512 1068512402 /nfs/dbraw/zinc/51/24/02/1068512402.db2.gz RGRRFHNXZYFWDC-HZPDHXFCSA-N 0 0 467.538 4.862 20 0 JJADRN CCN1CCc2nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)sc2C1 ZINC001463750599 1068512631 /nfs/dbraw/zinc/51/26/31/1068512631.db2.gz OYGKASPEYDFFHY-KRWDZBQOSA-N 0 0 450.649 4.571 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Oc3ccc(OCC)cc3)c2)cc1 ZINC001463754820 1068513567 /nfs/dbraw/zinc/51/35/67/1068513567.db2.gz VTPNZOXOMGWWHO-UHFFFAOYSA-N 0 0 455.532 4.812 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)Cc3cc(C)ccc3Br)C2)cc1 ZINC001463753639 1068513623 /nfs/dbraw/zinc/51/36/23/1068513623.db2.gz ZZTCASGBJQLGBX-SFHVURJKSA-N 0 0 452.414 4.551 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Oc1ccc2oc3ccccc3c2c1 ZINC001463754128 1068513652 /nfs/dbraw/zinc/51/36/52/1068513652.db2.gz QGINLMLTIQWCLB-UHFFFAOYSA-N 0 0 450.299 4.777 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3ccccc3OCc3ccccc3)CC2)c(F)c1 ZINC001463756560 1068514156 /nfs/dbraw/zinc/51/41/56/1068514156.db2.gz NSXGJLGOEUKVIV-WYMLVPIESA-N 0 0 458.533 4.969 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)c(Br)c2)c(Cl)c1Cl ZINC001463758465 1068514860 /nfs/dbraw/zinc/51/48/60/1068514860.db2.gz MLCNCVVNPNYIMK-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001463761466 1068516022 /nfs/dbraw/zinc/51/60/22/1068516022.db2.gz PAWVMHMIMPYDDJ-RADWXHQJSA-N 0 0 453.526 4.917 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 ZINC001463767298 1068517724 /nfs/dbraw/zinc/51/77/24/1068517724.db2.gz UDWLGERWTGIQSD-LJQANCHMSA-N 0 0 453.560 4.824 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463766935 1068517750 /nfs/dbraw/zinc/51/77/50/1068517750.db2.gz YCDVKRXJRLDPMN-AOMKIAJQSA-N 0 0 453.526 4.602 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001463771399 1068520064 /nfs/dbraw/zinc/52/00/64/1068520064.db2.gz AJXBJPHBFBEKLC-PZJWPPBQSA-N 0 0 456.608 4.593 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001463774721 1068521068 /nfs/dbraw/zinc/52/10/68/1068521068.db2.gz KNGZRRHRQBUQGE-LEWJYISDSA-N 0 0 450.645 4.858 20 0 JJADRN C[C@H](OCCCNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1ccccc1 ZINC001463777149 1068521682 /nfs/dbraw/zinc/52/16/82/1068521682.db2.gz LQJKNLZFADOPEY-FGLBZAAHSA-N 0 0 459.575 4.684 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC001463783792 1068523027 /nfs/dbraw/zinc/52/30/27/1068523027.db2.gz ILHKVVJRYFKBKE-IBGZPJMESA-N 0 0 452.359 4.681 20 0 JJADRN CC1(C)CN(c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001463788110 1068524109 /nfs/dbraw/zinc/52/41/09/1068524109.db2.gz YKBBEZZNFPKVAP-UHFFFAOYSA-N 0 0 450.885 4.787 20 0 JJADRN Cc1cccc(COCC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC001463792736 1068525754 /nfs/dbraw/zinc/52/57/54/1068525754.db2.gz BBJRLUKUINKHCJ-UHFFFAOYSA-N 0 0 450.529 4.724 20 0 JJADRN CCNC(=O)N1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001463794245 1068526497 /nfs/dbraw/zinc/52/64/97/1068526497.db2.gz GOMTUEYJPQCBEL-IBGZPJMESA-N 0 0 452.407 4.701 20 0 JJADRN CC1(C)CN(S(=O)(=O)Cc2noc3ccccc32)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463794186 1068526579 /nfs/dbraw/zinc/52/65/79/1068526579.db2.gz UXAYNMFRDVEWED-IBGZPJMESA-N 0 0 454.470 4.529 20 0 JJADRN CSCC[C@@H](NC(=O)c1cc2c(ccc(C)c2Br)[nH]1)c1nnc2ccccn21 ZINC001463800665 1068529506 /nfs/dbraw/zinc/52/95/06/1068529506.db2.gz QUSXYJOMBLACJW-OAHLLOKOSA-N 0 0 458.385 4.506 20 0 JJADRN C[C@H]1C(=O)CC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)C ZINC001463800707 1068529528 /nfs/dbraw/zinc/52/95/28/1068529528.db2.gz MPDAROHSZAJABV-FDDCHVKYSA-N 0 0 454.561 4.840 20 0 JJADRN CSCC[C@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC001463800688 1068529654 /nfs/dbraw/zinc/52/96/54/1068529654.db2.gz RPJHMBGDKLPMJY-SFKKXYGYSA-N 0 0 456.440 4.808 20 0 JJADRN CCOc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C(C)C)cc1OCC ZINC001463801118 1068530145 /nfs/dbraw/zinc/53/01/45/1068530145.db2.gz RTHCUOBNLGURJO-HYBUGGRVSA-N 0 0 459.631 4.662 20 0 JJADRN C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802699 1068530658 /nfs/dbraw/zinc/53/06/58/1068530658.db2.gz ZJFRRRADYNMMKH-OSPHWJPCSA-N 0 0 456.558 4.502 20 0 JJADRN CC(C)(C)O[C@H](C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001463802574 1068530732 /nfs/dbraw/zinc/53/07/32/1068530732.db2.gz WZJIGTGGYUQREK-MHZLTWQESA-N 0 0 457.618 4.981 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cc1 ZINC001463804014 1068531428 /nfs/dbraw/zinc/53/14/28/1068531428.db2.gz VLJDUJXUAPIFEY-UHFFFAOYSA-N 0 0 458.407 4.977 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001463809260 1068532916 /nfs/dbraw/zinc/53/29/16/1068532916.db2.gz JEELCFUUVLUFOR-WOIUINJBSA-N 0 0 456.608 4.975 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1C ZINC001463810724 1068533186 /nfs/dbraw/zinc/53/31/86/1068533186.db2.gz VVABGMHQLYFJJB-SJLPKXTDSA-N 0 0 458.443 4.570 20 0 JJADRN Cc1cc(C(C)(C)NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1Br ZINC001463811626 1068533379 /nfs/dbraw/zinc/53/33/79/1068533379.db2.gz ZKBJPWSLJQVPBI-UHFFFAOYSA-N 0 0 452.292 4.870 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1 ZINC001463812005 1068533393 /nfs/dbraw/zinc/53/33/93/1068533393.db2.gz XOLLSUKSUIJVTL-FQEVSTJZSA-N 0 0 459.530 4.796 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(Cl)c1Cl ZINC001463812655 1068533952 /nfs/dbraw/zinc/53/39/52/1068533952.db2.gz SORZULYRLNAXRN-RTWAWAEBSA-N 0 0 452.359 4.755 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC001463816203 1068534611 /nfs/dbraw/zinc/53/46/11/1068534611.db2.gz NKJABGJOWHTYMY-JOCHJYFZSA-N 0 0 455.963 4.740 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001463814415 1068534650 /nfs/dbraw/zinc/53/46/50/1068534650.db2.gz CLHQKICNHFYNMB-UHFFFAOYSA-N 0 0 450.343 4.829 20 0 JJADRN CCc1ccccc1[C@H](CNS(=O)(=O)c1cccc(C)c1Cl)NC(=O)OC(C)(C)C ZINC001463823197 1068536176 /nfs/dbraw/zinc/53/61/76/1068536176.db2.gz BQHMRHDZYDOCBW-SFHVURJKSA-N 0 0 453.004 4.755 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N(C)CCOc1ccccc1C)NC(=O)OC(C)(C)C ZINC001463824188 1068536211 /nfs/dbraw/zinc/53/62/11/1068536211.db2.gz OHYCEODDZMMERJ-OAQYLSRUSA-N 0 0 456.583 4.887 20 0 JJADRN CC(C)CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC001463825972 1068537482 /nfs/dbraw/zinc/53/74/82/1068537482.db2.gz NMXHWDLNWODXLX-OAQYLSRUSA-N 0 0 457.514 4.936 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H]2CSCCS2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463826003 1068537656 /nfs/dbraw/zinc/53/76/56/1068537656.db2.gz NKYLZKQXOUVKGT-OAHLLOKOSA-N 0 0 457.042 4.626 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1C ZINC001463826033 1068537784 /nfs/dbraw/zinc/53/77/84/1068537784.db2.gz NVPPCMPMXAPHDO-UHFFFAOYSA-N 0 0 459.955 4.673 20 0 JJADRN Cc1cccc2c1O[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c1)C2 ZINC001463826556 1068538427 /nfs/dbraw/zinc/53/84/27/1068538427.db2.gz ULRYMECITXLABJ-HXUWFJFHSA-N 0 0 456.951 4.700 20 0 JJADRN COCC1(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCCC1 ZINC001463827329 1068539384 /nfs/dbraw/zinc/53/93/84/1068539384.db2.gz BVWVABQINJKIMG-UHFFFAOYSA-N 0 0 452.414 4.991 20 0 JJADRN O=C(Cc1nc(C2CCCC2)cs1)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001463833680 1068541003 /nfs/dbraw/zinc/54/10/03/1068541003.db2.gz HEBLJQJTECCRCB-UHFFFAOYSA-N 0 0 459.568 4.922 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)c3sc(C)cc3OCc3ccccc3)CC2)cc1 ZINC001463835946 1068541843 /nfs/dbraw/zinc/54/18/43/1068541843.db2.gz SEKHEZLCLXHRJZ-UHFFFAOYSA-N 0 0 450.604 4.992 20 0 JJADRN CCOc1ccc(CN2CCN(C(=O)[C@@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001463836150 1068541859 /nfs/dbraw/zinc/54/18/59/1068541859.db2.gz UUTNOZVJTUVEJF-SFHVURJKSA-N 0 0 450.501 4.507 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001463842681 1068544600 /nfs/dbraw/zinc/54/46/00/1068544600.db2.gz GOSZQWWVMHNOBP-IBGZPJMESA-N 0 0 451.527 4.801 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC001463842118 1068544703 /nfs/dbraw/zinc/54/47/03/1068544703.db2.gz IHGARPWQWSKJFV-JOCHJYFZSA-N 0 0 458.436 4.746 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC001463843251 1068545148 /nfs/dbraw/zinc/54/51/48/1068545148.db2.gz MZNYXTNETNBMGL-UHFFFAOYSA-N 0 0 453.383 4.547 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001463843329 1068545442 /nfs/dbraw/zinc/54/54/42/1068545442.db2.gz IRBFJSBHRHLAEY-UHFFFAOYSA-N 0 0 452.584 4.746 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001463844879 1068545757 /nfs/dbraw/zinc/54/57/57/1068545757.db2.gz NCEVPZNTNSYRNG-HXUWFJFHSA-N 0 0 454.958 4.700 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001463847289 1068546435 /nfs/dbraw/zinc/54/64/35/1068546435.db2.gz SVIQJDPOKFLECZ-UHFFFAOYSA-N 0 0 456.287 4.827 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)cc1 ZINC001463845426 1068546603 /nfs/dbraw/zinc/54/66/03/1068546603.db2.gz IQBFROCFYRNIDF-QFIPXVFZSA-N 0 0 456.587 4.564 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@@H]2CCOC2)CCCC1 ZINC001546142171 1068547067 /nfs/dbraw/zinc/54/70/67/1068547067.db2.gz FCOICFZEJYHXFK-FQEVSTJZSA-N 0 0 475.678 4.836 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001463859847 1068549135 /nfs/dbraw/zinc/54/91/35/1068549135.db2.gz OOPUHHIJRYUUJV-KCWPFWIISA-N 0 0 456.627 4.904 20 0 JJADRN O=S(=O)(Cc1cccc(F)c1Br)Oc1ccc(Br)c(Cl)c1 ZINC001463858772 1068549170 /nfs/dbraw/zinc/54/91/70/1068549170.db2.gz VMYJKOHAQPXZEJ-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)C(=O)OC(C)(C)C ZINC001463857982 1068549210 /nfs/dbraw/zinc/54/92/10/1068549210.db2.gz DBWQXGJYIKKZSG-UHFFFAOYSA-N 0 0 455.603 4.893 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC001463860515 1068549234 /nfs/dbraw/zinc/54/92/34/1068549234.db2.gz IMKKTHRLOOCCDF-RUZDIDTESA-N 0 0 450.966 4.819 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001463860710 1068549616 /nfs/dbraw/zinc/54/96/16/1068549616.db2.gz KRKKUAKHXKONNP-UHFFFAOYSA-N 0 0 458.345 4.844 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCCc3c(F)c(F)cc(F)c32)cc1C(C)C ZINC001463865256 1068550260 /nfs/dbraw/zinc/55/02/60/1068550260.db2.gz DBZCJPXZVIRWCH-UHFFFAOYSA-N 0 0 457.514 4.784 20 0 JJADRN CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)N(C)CC(C)C)C1 ZINC001463863813 1068550430 /nfs/dbraw/zinc/55/04/30/1068550430.db2.gz BHBYMZUERHYSQK-PPHZAIPVSA-N 0 0 450.579 4.529 20 0 JJADRN CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)N(C)CC(C)C)C1 ZINC001463863816 1068550487 /nfs/dbraw/zinc/55/04/87/1068550487.db2.gz BHBYMZUERHYSQK-UZTOHYMASA-N 0 0 450.579 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC001463863676 1068550508 /nfs/dbraw/zinc/55/05/08/1068550508.db2.gz REPCLSRVRWQHLX-HXUWFJFHSA-N 0 0 453.587 4.790 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1C(C)C ZINC001463868178 1068550717 /nfs/dbraw/zinc/55/07/17/1068550717.db2.gz CMFZAMZJPLXEEC-FQEVSTJZSA-N 0 0 450.645 4.545 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC001463865726 1068551028 /nfs/dbraw/zinc/55/10/28/1068551028.db2.gz WLYWWSAKDRTNRT-SNVBAGLBSA-N 0 0 453.371 4.540 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC001463872662 1068552435 /nfs/dbraw/zinc/55/24/35/1068552435.db2.gz MASRBEVEEHXNOE-JQHSSLGASA-N 0 0 451.430 4.766 20 0 JJADRN Cc1cc(C)n(-c2ccc(OS(=O)(=O)Cc3ccc(Br)cc3Cl)cc2)n1 ZINC001463873735 1068552812 /nfs/dbraw/zinc/55/28/12/1068552812.db2.gz SQJKPWLOLRBFEM-UHFFFAOYSA-N 0 0 455.761 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)[C@@H]2C1 ZINC001463876396 1068553436 /nfs/dbraw/zinc/55/34/36/1068553436.db2.gz ZSZKZJGSPLQDSI-OXJNMPFZSA-N 0 0 478.998 4.762 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@@H]2C)CCOCC1 ZINC001546142399 1068553475 /nfs/dbraw/zinc/55/34/75/1068553475.db2.gz JKFQOMCVGBWRFH-PCCBWWKXSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001463877263 1068553949 /nfs/dbraw/zinc/55/39/49/1068553949.db2.gz UGKRDMWYCUDOMA-CYFREDJKSA-N 0 0 455.601 4.702 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463881990 1068554507 /nfs/dbraw/zinc/55/45/07/1068554507.db2.gz HAWDBFCTGQRCIT-VGSWGCGISA-N 0 0 458.965 4.801 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC001463883263 1068555114 /nfs/dbraw/zinc/55/51/14/1068555114.db2.gz PMPJQHKHBNTTKY-JOCHJYFZSA-N 0 0 450.000 4.895 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(I)cc1 ZINC001463884810 1068555720 /nfs/dbraw/zinc/55/57/20/1068555720.db2.gz CAHIMFFQYLHUJH-GDBMZVCRSA-N 0 0 459.331 4.677 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546142502 1068557204 /nfs/dbraw/zinc/55/72/04/1068557204.db2.gz LLGGITKKDXKLEB-RBBKRZOGSA-N 0 0 456.631 4.542 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C ZINC001463891448 1068557222 /nfs/dbraw/zinc/55/72/22/1068557222.db2.gz QLQIUJJRSPPSEX-OAHLLOKOSA-N 0 0 452.473 4.632 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCCCO)C2CC2)CCC1 ZINC001546142547 1068558646 /nfs/dbraw/zinc/55/86/46/1068558646.db2.gz MRLSQFFMESEEHJ-FQEVSTJZSA-N 0 0 475.678 4.714 20 0 JJADRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463897139 1068558879 /nfs/dbraw/zinc/55/88/79/1068558879.db2.gz MSFCXXSHEKZIOO-PGRDOPGGSA-N 0 0 451.567 4.763 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001463915642 1068564116 /nfs/dbraw/zinc/56/41/16/1068564116.db2.gz SJKPQWAJUZWDCX-APWZRJJASA-N 0 0 451.972 4.530 20 0 JJADRN COC(=O)CCc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC001463914759 1068564127 /nfs/dbraw/zinc/56/41/27/1068564127.db2.gz CNLPWUDZLXSGFP-HHHXNRCGSA-N 0 0 459.542 4.597 20 0 JJADRN O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463924979 1068567050 /nfs/dbraw/zinc/56/70/50/1068567050.db2.gz MCNCJMWYMDTOPH-QZTJIDSGSA-N 0 0 455.462 4.955 20 0 JJADRN C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001463925600 1068567121 /nfs/dbraw/zinc/56/71/21/1068567121.db2.gz DIIXLETWKNHELE-FXAWDEMLSA-N 0 0 458.462 4.771 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccn1 ZINC001463925577 1068567144 /nfs/dbraw/zinc/56/71/44/1068567144.db2.gz DANCAPWJXDMFSG-UHFFFAOYSA-N 0 0 451.483 4.596 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1O ZINC001463926626 1068567762 /nfs/dbraw/zinc/56/77/62/1068567762.db2.gz YNDUEDPPHFMOFD-NAFJXCGOSA-N 0 0 451.544 4.667 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H]1C(=O)OC(C)(C)C ZINC001463929623 1068568607 /nfs/dbraw/zinc/56/86/07/1068568607.db2.gz GMZVLBSSVWUDGM-KSSFIOAISA-N 0 0 452.642 4.725 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC001463932537 1068569219 /nfs/dbraw/zinc/56/92/19/1068569219.db2.gz OQRXATVMSSITQG-HSZRJFAPSA-N 0 0 452.938 4.783 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001463936415 1068570496 /nfs/dbraw/zinc/57/04/96/1068570496.db2.gz PIRQPHXANAQVPB-QGZVFWFLSA-N 0 0 454.527 4.810 20 0 JJADRN CCCc1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)nnn1-c1cccc(C(C)C)c1 ZINC001463937472 1068570619 /nfs/dbraw/zinc/57/06/19/1068570619.db2.gz HYFXSGAWBHKDMM-UHFFFAOYSA-N 0 0 453.974 4.707 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001463937038 1068570650 /nfs/dbraw/zinc/57/06/50/1068570650.db2.gz QPHJLWPFGQMZCE-WMLDXEAASA-N 0 0 456.593 4.716 20 0 JJADRN COc1ccc(CN(C)C(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1OC(F)F ZINC001463939338 1068571043 /nfs/dbraw/zinc/57/10/43/1068571043.db2.gz KYTURMHYNZNZHQ-UHFFFAOYSA-N 0 0 453.392 4.560 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463940243 1068571073 /nfs/dbraw/zinc/57/10/73/1068571073.db2.gz DKIWQTKYEPQVBR-QFIPXVFZSA-N 0 0 453.583 4.828 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3cc(Cl)ccc3Br)c2)n1 ZINC001463947724 1068572317 /nfs/dbraw/zinc/57/23/17/1068572317.db2.gz HLCFDSZYNWMPEP-UHFFFAOYSA-N 0 0 455.761 4.853 20 0 JJADRN Cc1cccc2c(CC(=O)NCCN3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)c[nH]c21 ZINC001463950461 1068572599 /nfs/dbraw/zinc/57/25/99/1068572599.db2.gz JBJVIJRXMCSFMC-YBFXNURJSA-N 0 0 453.951 4.525 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCSc2ccccc21 ZINC001463948889 1068572739 /nfs/dbraw/zinc/57/27/39/1068572739.db2.gz HGJQJXWLEWKBNJ-MCRQTXEHSA-N 0 0 458.992 4.772 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1c(O)cnc2c(F)cccc21 ZINC001463952363 1068573300 /nfs/dbraw/zinc/57/33/00/1068573300.db2.gz DJFUSGRCJRTVJI-UHFFFAOYSA-N 0 0 450.297 4.877 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC2)cs1 ZINC001463950927 1068573376 /nfs/dbraw/zinc/57/33/76/1068573376.db2.gz SWYCKCFBSZDLEJ-QFIPXVFZSA-N 0 0 459.974 4.709 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001463953396 1068573929 /nfs/dbraw/zinc/57/39/29/1068573929.db2.gz KQASXDHEKCOZIW-UHFFFAOYSA-N 0 0 456.951 4.941 20 0 JJADRN Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)nc2ccccc12 ZINC001463954190 1068574357 /nfs/dbraw/zinc/57/43/57/1068574357.db2.gz UMRDZYLCLLSCGC-DEDYPNTBSA-N 0 0 451.935 4.663 20 0 JJADRN CCOc1cc(NC(=O)c2cccc(OC)c2O)c(OCC)cc1NC(=O)c1ccccc1 ZINC001463954790 1068574917 /nfs/dbraw/zinc/57/49/17/1068574917.db2.gz GEKDQSPIAFDGTR-UHFFFAOYSA-N 0 0 450.491 4.703 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC001463956380 1068575518 /nfs/dbraw/zinc/57/55/18/1068575518.db2.gz ROPGBXFKLSWDJA-AWEZNQCLSA-N 0 0 453.789 4.728 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463969699 1068577813 /nfs/dbraw/zinc/57/78/13/1068577813.db2.gz JFKZSRCTBJHPAG-ORYQWCPZSA-N 0 0 451.629 4.679 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(Br)c(C)c1N ZINC001463971660 1068578634 /nfs/dbraw/zinc/57/86/34/1068578634.db2.gz SXVYEEAOTDGCML-UHFFFAOYSA-N 0 0 454.372 4.885 20 0 JJADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cccc(Oc4ccncc4)c3)C2=O)cc1 ZINC001463972466 1068578751 /nfs/dbraw/zinc/57/87/51/1068578751.db2.gz XSFPOWAFQDKHAI-JCMHNJIXSA-N 0 0 459.527 4.649 20 0 JJADRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC001463976555 1068579896 /nfs/dbraw/zinc/57/98/96/1068579896.db2.gz WSYYPZQTFVTWNC-IBGZPJMESA-N 0 0 452.576 4.946 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001463977674 1068580486 /nfs/dbraw/zinc/58/04/86/1068580486.db2.gz QQTBLYIFHKFUGB-WBVHZDCISA-N 0 0 456.530 4.681 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)CC1=O ZINC001463994248 1068583092 /nfs/dbraw/zinc/58/30/92/1068583092.db2.gz XFZJYHXEXRXUIT-GOSISDBHSA-N 0 0 452.938 4.929 20 0 JJADRN Nc1c(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cccc1C(F)(F)F ZINC001463997053 1068583687 /nfs/dbraw/zinc/58/36/87/1068583687.db2.gz TUGIUBQXQBFWCA-UHFFFAOYSA-N 0 0 457.452 4.615 20 0 JJADRN COC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CC1 ZINC001463994660 1068583734 /nfs/dbraw/zinc/58/37/34/1068583734.db2.gz KERJLAALFSAGDR-XMMPIXPASA-N 0 0 450.579 4.577 20 0 JJADRN COc1cc(CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC001463994832 1068583747 /nfs/dbraw/zinc/58/37/47/1068583747.db2.gz KQKZCJZGZYEASR-NRFANRHFSA-N 0 0 459.464 4.513 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c(F)c1Cl ZINC001464000846 1068585168 /nfs/dbraw/zinc/58/51/68/1068585168.db2.gz WVHUPIKACQRBGQ-HXUWFJFHSA-N 0 0 452.910 4.659 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1C ZINC001464004257 1068586153 /nfs/dbraw/zinc/58/61/53/1068586153.db2.gz DWFOBPFULYERKZ-INIZCTEOSA-N 0 0 457.423 4.888 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2C(C)(C)C)c(F)c1 ZINC001464004729 1068586164 /nfs/dbraw/zinc/58/61/64/1068586164.db2.gz XINJBORCTIQRGH-UHFFFAOYSA-N 0 0 450.576 4.626 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006807 1068586972 /nfs/dbraw/zinc/58/69/72/1068586972.db2.gz VLYILQXSHXYZMD-GBESFXJTSA-N 0 0 458.027 4.869 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cc12 ZINC001464006466 1068587237 /nfs/dbraw/zinc/58/72/37/1068587237.db2.gz MAFUIPAGMJFIHJ-NWDGAFQWSA-N 0 0 453.395 4.588 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@@H]3C)ccc2nc1Cl ZINC001464006803 1068587270 /nfs/dbraw/zinc/58/72/70/1068587270.db2.gz VLYILQXSHXYZMD-FHWLQOOXSA-N 0 0 458.027 4.869 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC001464009873 1068587614 /nfs/dbraw/zinc/58/76/14/1068587614.db2.gz RXJFXQWNZOHYNW-AREMUKBSSA-N 0 0 451.588 4.932 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001464008987 1068587659 /nfs/dbraw/zinc/58/76/59/1068587659.db2.gz PJXKRWVGMJTQAH-CYBMUJFWSA-N 0 0 458.805 4.852 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001464013120 1068588671 /nfs/dbraw/zinc/58/86/71/1068588671.db2.gz FJZNHQUSSPKCKS-UHFFFAOYSA-N 0 0 457.452 4.657 20 0 JJADRN O=C(c1ccc2ncc(I)n2c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001464017242 1068590428 /nfs/dbraw/zinc/59/04/28/1068590428.db2.gz QFQIYXHXVBGJKD-HNNXBMFYSA-N 0 0 451.695 4.570 20 0 JJADRN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 ZINC001464025872 1068592240 /nfs/dbraw/zinc/59/22/40/1068592240.db2.gz IHIGOIODWOWADE-UHFFFAOYSA-N 0 0 451.929 4.689 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001464030259 1068593546 /nfs/dbraw/zinc/59/35/46/1068593546.db2.gz OJXMEVNBEANQLO-WOJBJXKFSA-N 0 0 450.604 4.854 20 0 JJADRN O=C(NC[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001464031561 1068594147 /nfs/dbraw/zinc/59/41/47/1068594147.db2.gz MSSRUDFDZZJDDK-LJQANCHMSA-N 0 0 454.979 4.991 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(NC(=O)C2CCC2)c1)C1CCCCCC1 ZINC001464035240 1068595191 /nfs/dbraw/zinc/59/51/91/1068595191.db2.gz UYECDHYCBJGZKR-QFIPXVFZSA-N 0 0 457.615 4.905 20 0 JJADRN O=C(NC[C@H]1CCCc2ccccc21)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001464034401 1068595230 /nfs/dbraw/zinc/59/52/30/1068595230.db2.gz SMIQFTVNOIRUBY-GOSISDBHSA-N 0 0 454.979 4.991 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001464036764 1068595672 /nfs/dbraw/zinc/59/56/72/1068595672.db2.gz YIQZHRAYOIYMLP-UHFFFAOYSA-N 0 0 457.423 4.810 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2cccc3cccc(Br)c32)cc1Cl ZINC001464036398 1068595796 /nfs/dbraw/zinc/59/57/96/1068595796.db2.gz LLPKHFTXHXNXFO-UHFFFAOYSA-N 0 0 453.745 4.880 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@H](C)CCc4ccc(F)cc4)CC3)n2)cc1 ZINC001464037974 1068596260 /nfs/dbraw/zinc/59/62/60/1068596260.db2.gz MNBNXYIOEAFWEG-WOJBJXKFSA-N 0 0 450.558 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c2ccccc21 ZINC001464041391 1068597433 /nfs/dbraw/zinc/59/74/33/1068597433.db2.gz HLFTZHHEDOYWOK-OFVILXPXSA-N 0 0 450.579 4.888 20 0 JJADRN CCN(Cc1ccc(OC)cc1OC)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464045952 1068599177 /nfs/dbraw/zinc/59/91/77/1068599177.db2.gz CLHXDWIQIMCTCX-LJQANCHMSA-N 0 0 454.567 4.981 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001464048968 1068599729 /nfs/dbraw/zinc/59/97/29/1068599729.db2.gz ZPUCTARYEHGUQV-UHFFFAOYSA-N 0 0 452.483 4.892 20 0 JJADRN Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cnc1Br ZINC001546143918 1068599748 /nfs/dbraw/zinc/59/97/48/1068599748.db2.gz YXGULKRIAXSXBN-UHFFFAOYSA-N 0 0 457.199 4.854 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)NCC(=O)c2c(Cl)cccc2Cl)c1Br ZINC001464048796 1068599789 /nfs/dbraw/zinc/59/97/89/1068599789.db2.gz HCIVJWLSTINQIY-UHFFFAOYSA-N 0 0 457.198 4.595 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccccc2Cl)c(F)cc1C ZINC001464049931 1068600373 /nfs/dbraw/zinc/60/03/73/1068600373.db2.gz AONNKUNFWUHEEY-QFIPXVFZSA-N 0 0 453.963 4.750 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1-c1ccccc1 ZINC001464052904 1068601057 /nfs/dbraw/zinc/60/10/57/1068601057.db2.gz KPWRABYIPKMZFN-UHFFFAOYSA-N 0 0 459.608 4.885 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1F)Cc1cc(F)c(F)cc1F ZINC001464052483 1068601068 /nfs/dbraw/zinc/60/10/68/1068601068.db2.gz BXFGUJFBTFSYHG-OAHLLOKOSA-N 0 0 458.427 4.524 20 0 JJADRN COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)c1 ZINC001464054284 1068601083 /nfs/dbraw/zinc/60/10/83/1068601083.db2.gz LZUOXVFRCCYPPP-KRWDZBQOSA-N 0 0 459.571 4.791 20 0 JJADRN C[C@@H](C(=O)N(Cc1cc(Br)ccc1F)C1CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001464056627 1068601797 /nfs/dbraw/zinc/60/17/97/1068601797.db2.gz HOWSEAICHKRPSU-ZDUSSCGKSA-N 0 0 455.368 4.867 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)cc1 ZINC001464058837 1068602227 /nfs/dbraw/zinc/60/22/27/1068602227.db2.gz WIDPPZCPBVJLOE-KRWDZBQOSA-N 0 0 459.571 4.791 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)cc1 ZINC001464058840 1068602350 /nfs/dbraw/zinc/60/23/50/1068602350.db2.gz WIDPPZCPBVJLOE-QGZVFWFLSA-N 0 0 459.571 4.791 20 0 JJADRN O=C([C@H]1CCNC(=O)C1)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC001464060787 1068602942 /nfs/dbraw/zinc/60/29/42/1068602942.db2.gz BBDMQWJIXLXPPE-INIZCTEOSA-N 0 0 458.402 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)C1 ZINC001464067252 1068604221 /nfs/dbraw/zinc/60/42/21/1068604221.db2.gz UEBLXWMMWKYMGV-OAQYLSRUSA-N 0 0 458.624 4.888 20 0 JJADRN Cc1c(C(=O)NCCOc2ccc3ccccc3c2)cnn1-c1ccc(Br)cc1 ZINC001464067855 1068604260 /nfs/dbraw/zinc/60/42/60/1068604260.db2.gz NQIMVCPWDYYZLM-UHFFFAOYSA-N 0 0 450.336 4.905 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC001464072985 1068605740 /nfs/dbraw/zinc/60/57/40/1068605740.db2.gz KVEDRMYEGOZCSW-LJQANCHMSA-N 0 0 452.576 4.946 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001464075429 1068606436 /nfs/dbraw/zinc/60/64/36/1068606436.db2.gz YTWNUEZEMNNNOA-FGZHOGPDSA-N 0 0 454.615 4.933 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)C[C@H]4C[C@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077207 1068607088 /nfs/dbraw/zinc/60/70/88/1068607088.db2.gz WAJLQTIGJYKFQH-FCHUYYIVSA-N 0 0 452.643 4.974 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001546144216 1068608443 /nfs/dbraw/zinc/60/84/43/1068608443.db2.gz GPOIDQYQWONTPT-FQEVSTJZSA-N 0 0 491.583 4.691 20 0 JJADRN CC(C)(C(=O)NCc1ccc(CN2CCc3ccccc32)cc1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001464083715 1068608509 /nfs/dbraw/zinc/60/85/09/1068608509.db2.gz APSOYRPPALNIBZ-XZOQPEGZSA-N 0 0 459.556 4.965 20 0 JJADRN CC[C@@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1ccccc1OC(F)F ZINC001464087443 1068610355 /nfs/dbraw/zinc/61/03/55/1068610355.db2.gz YRGOKDCZNIWUGD-OAHLLOKOSA-N 0 0 452.502 4.569 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC001464087605 1068610383 /nfs/dbraw/zinc/61/03/83/1068610383.db2.gz JNLLNJHFUWPNJM-HUUCEWRRSA-N 0 0 456.568 4.890 20 0 JJADRN CC[C@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1ccccc1OC(F)F ZINC001464087439 1068610444 /nfs/dbraw/zinc/61/04/44/1068610444.db2.gz YRGOKDCZNIWUGD-HNNXBMFYSA-N 0 0 452.502 4.569 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)cc1C(C)(C)C ZINC001464090788 1068611514 /nfs/dbraw/zinc/61/15/14/1068611514.db2.gz NGACNWQPLQEGFZ-NRFANRHFSA-N 0 0 453.551 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC001464091571 1068611931 /nfs/dbraw/zinc/61/19/31/1068611931.db2.gz FLNHOEWBHNSTFY-LEWJYISDSA-N 0 0 470.566 4.660 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)Cc1ccccc1Br ZINC001464093367 1068611971 /nfs/dbraw/zinc/61/19/71/1068611971.db2.gz XBTZGIMGLROGNJ-SFHVURJKSA-N 0 0 458.805 4.784 20 0 JJADRN COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001464094108 1068612674 /nfs/dbraw/zinc/61/26/74/1068612674.db2.gz KAKAFROAUFATHJ-QGZVFWFLSA-N 0 0 451.564 4.920 20 0 JJADRN CCCCOc1ccc(OC)cc1NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C ZINC001464093668 1068612775 /nfs/dbraw/zinc/61/27/75/1068612775.db2.gz GSIMMYPFRKNPGK-KRWDZBQOSA-N 0 0 458.559 4.683 20 0 JJADRN O=C([C@H](CO)c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001464103162 1068616782 /nfs/dbraw/zinc/61/67/82/1068616782.db2.gz MQRYZOHGJIEEIP-JOCHJYFZSA-N 0 0 458.986 4.628 20 0 JJADRN CCOCc1ccc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001464107167 1068617573 /nfs/dbraw/zinc/61/75/73/1068617573.db2.gz QKATURPVTNWCHN-UHFFFAOYSA-N 0 0 458.558 4.768 20 0 JJADRN COc1cc(NC(=O)c2cccc(NCc3ccccn3)c2)ccc1NC(=O)c1cccnc1 ZINC001464108305 1068617982 /nfs/dbraw/zinc/61/79/82/1068617982.db2.gz YOKKTAFZQPXLHC-UHFFFAOYSA-N 0 0 453.502 4.602 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546144478 1068618673 /nfs/dbraw/zinc/61/86/73/1068618673.db2.gz METFSQFSNIPTGC-LJQANCHMSA-N 0 0 463.667 4.519 20 0 JJADRN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001464111837 1068618802 /nfs/dbraw/zinc/61/88/02/1068618802.db2.gz PGHCZKWHBAXOCK-QGZVFWFLSA-N 0 0 452.960 4.661 20 0 JJADRN CC(C)[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001464118664 1068621235 /nfs/dbraw/zinc/62/12/35/1068621235.db2.gz JMPROBIUDNLKDE-CQSZACIVSA-N 0 0 458.930 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)C2 ZINC001464127165 1068625489 /nfs/dbraw/zinc/62/54/89/1068625489.db2.gz BYPFQPJVRLZWBU-LPWQTFTOSA-N 0 0 465.997 4.520 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001464128233 1068625951 /nfs/dbraw/zinc/62/59/51/1068625951.db2.gz JVOFSWYXOYRCLV-SZNDQCEHSA-N 0 0 455.393 4.672 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC001464128966 1068625996 /nfs/dbraw/zinc/62/59/96/1068625996.db2.gz FWMBBYUXIICIOH-UHFFFAOYSA-N 0 0 454.324 4.576 20 0 JJADRN Cc1c(N)c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)ccc1Br ZINC001464130332 1068626589 /nfs/dbraw/zinc/62/65/89/1068626589.db2.gz KLFPZTWYRFVQTJ-QGZVFWFLSA-N 0 0 454.771 4.699 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CCC1 ZINC001464129317 1068626597 /nfs/dbraw/zinc/62/65/97/1068626597.db2.gz IKNPSLLPDDDXMU-SFHVURJKSA-N 0 0 453.986 4.522 20 0 JJADRN COc1ccc([C@H](C)NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)cc1Br ZINC001464129784 1068626608 /nfs/dbraw/zinc/62/66/08/1068626608.db2.gz SKMJYEZDXPABRF-VIFPVBQESA-N 0 0 451.670 4.945 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cn1 ZINC001464131397 1068627857 /nfs/dbraw/zinc/62/78/57/1068627857.db2.gz WKPHEHYYQOKWMS-OAHLLOKOSA-N 0 0 451.470 4.678 20 0 JJADRN Nc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1OC(F)(F)F ZINC001464136358 1068629798 /nfs/dbraw/zinc/62/97/98/1068629798.db2.gz KHJXXMXIKIUFGH-UHFFFAOYSA-N 0 0 456.589 4.678 20 0 JJADRN CCC[C@H](C)N(C)C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC001464137217 1068630647 /nfs/dbraw/zinc/63/06/47/1068630647.db2.gz SNANLJRXKYDZBJ-KRWDZBQOSA-N 0 0 453.004 4.581 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N(C)Cc2ccc(Br)o2)cc1 ZINC001464138006 1068630703 /nfs/dbraw/zinc/63/07/03/1068630703.db2.gz PMHPRWPEODFVGB-UHFFFAOYSA-N 0 0 453.134 4.571 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001464139414 1068631929 /nfs/dbraw/zinc/63/19/29/1068631929.db2.gz YSHUMIATFOOQRG-MRXNPFEDSA-N 0 0 457.752 4.920 20 0 JJADRN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001464143008 1068632293 /nfs/dbraw/zinc/63/22/93/1068632293.db2.gz CUHZGRGGRAHNPH-SJORKVTESA-N 0 0 455.420 4.761 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464143895 1068633085 /nfs/dbraw/zinc/63/30/85/1068633085.db2.gz HQQDRIMYFPERHS-KRWDZBQOSA-N 0 0 451.411 4.872 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C3CCCCC3)C2)c(Br)c1 ZINC001464143306 1068633136 /nfs/dbraw/zinc/63/31/36/1068633136.db2.gz GFQHKXBFWSYDTO-QGZVFWFLSA-N 0 0 458.418 4.607 20 0 JJADRN O=S(=O)(NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001464146436 1068633906 /nfs/dbraw/zinc/63/39/06/1068633906.db2.gz BFWWALRROWAVSJ-LJQANCHMSA-N 0 0 457.857 4.562 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464159087 1068637459 /nfs/dbraw/zinc/63/74/59/1068637459.db2.gz LPMGJDZNPRDJFB-CVDCTZTESA-N 0 0 451.567 4.874 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)C1 ZINC001464159196 1068637684 /nfs/dbraw/zinc/63/76/84/1068637684.db2.gz LUHGRYPDYIFQOT-ZWKOTPCHSA-N 0 0 473.595 4.509 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160009 1068637716 /nfs/dbraw/zinc/63/77/16/1068637716.db2.gz ONPSMEFPDWANTN-CJFMBICVSA-N 0 0 457.578 4.958 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(S(=O)(=O)c3c(C)sc(C)c3C)CC2)n1 ZINC001464166168 1068640386 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SZDOXKHXTIRUMW-UHFFFAOYSA-N 0 0 458.209 4.570 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC001464278491 1068687361 /nfs/dbraw/zinc/68/73/61/1068687361.db2.gz GCFJYSCCFVOUCB-MOXGXCLJSA-N 0 0 452.979 4.872 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1N)c1ccc(OC(F)(F)F)cc1 ZINC001464279384 1068687970 /nfs/dbraw/zinc/68/79/70/1068687970.db2.gz KGSNJVJQQFZXAK-HNNXBMFYSA-N 0 0 451.228 4.508 20 0 JJADRN C[C@@H](COCC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F)c1ccccc1 ZINC001464279712 1068687984 /nfs/dbraw/zinc/68/79/84/1068687984.db2.gz AMFGUZRAVSEIDA-IBGZPJMESA-N 0 0 452.501 4.752 20 0 JJADRN COC(=O)C[C@H](NC(=O)CCOc1ccc(C(C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001464280441 1068688019 /nfs/dbraw/zinc/68/80/19/1068688019.db2.gz LWFHFGFTXVXIRA-FQEVSTJZSA-N 0 0 453.457 4.898 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F)CC2 ZINC001464280307 1068688706 /nfs/dbraw/zinc/68/87/06/1068688706.db2.gz FSYDWWURAYYCDV-IBGZPJMESA-N 0 0 450.485 4.671 20 0 JJADRN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280980 1068689407 /nfs/dbraw/zinc/68/94/07/1068689407.db2.gz JZNARUKDLKOZQH-IQMFZBJNSA-N 0 0 454.933 4.536 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC001464281823 1068690103 /nfs/dbraw/zinc/69/01/03/1068690103.db2.gz OKLMZIAUSZYBEF-QFIPXVFZSA-N 0 0 452.917 4.532 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC001464281475 1068690140 /nfs/dbraw/zinc/69/01/40/1068690140.db2.gz JTAVLJLOBBTUFH-YRXHENJZSA-N 0 0 454.640 4.506 20 0 JJADRN CC(C)c1ccc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)[nH]c2c1 ZINC001464283281 1068690731 /nfs/dbraw/zinc/69/07/31/1068690731.db2.gz UEYKGGKGCFHZSD-SFHVURJKSA-N 0 0 453.608 4.642 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(OC(C)C)c3)ccc2C)cc1 ZINC001464285374 1068691506 /nfs/dbraw/zinc/69/15/06/1068691506.db2.gz XTXXWJDZCVAKKN-UHFFFAOYSA-N 0 0 452.576 4.821 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC001464291495 1068693462 /nfs/dbraw/zinc/69/34/62/1068693462.db2.gz RVDMDMAJSRHIKO-PMACEKPBSA-N 0 0 458.345 4.544 20 0 JJADRN CC1=Nc2ccccc2C12CCN(S(=O)(=O)c1cc(Cl)ccc1Br)CC2 ZINC001464293007 1068694957 /nfs/dbraw/zinc/69/49/57/1068694957.db2.gz BDVHJXFLIVQWKE-UHFFFAOYSA-N 0 0 453.789 4.931 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464297061 1068695635 /nfs/dbraw/zinc/69/56/35/1068695635.db2.gz JRBVORSPXMBKDO-GOSISDBHSA-N 0 0 457.615 4.971 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Nc2cccnc2)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC001464299091 1068696947 /nfs/dbraw/zinc/69/69/47/1068696947.db2.gz WUNRTWALINEYCS-DEOSSOPVSA-N 0 0 458.562 4.708 20 0 JJADRN CC(C)CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001464304265 1068698349 /nfs/dbraw/zinc/69/83/49/1068698349.db2.gz ZMZCNUNKOGQNSD-YWZLYKJASA-N 0 0 457.423 4.954 20 0 JJADRN Cc1cccc(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC001464315036 1068701701 /nfs/dbraw/zinc/70/17/01/1068701701.db2.gz SRXMETMASFUCEN-AREMUKBSSA-N 0 0 457.574 4.960 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1cc(Cl)c(Cl)cc1N)NC(=O)OC(C)(C)C ZINC001464315908 1068702065 /nfs/dbraw/zinc/70/20/65/1068702065.db2.gz ORAQPCIAGYJNGJ-KRWDZBQOSA-N 0 0 454.354 4.580 20 0 JJADRN Cc1nc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)sc1Cc1cccc(Br)c1 ZINC001464317539 1068703222 /nfs/dbraw/zinc/70/32/22/1068703222.db2.gz LWJGKNVMDAAPJZ-CYBMUJFWSA-N 0 0 452.418 4.684 20 0 JJADRN Cc1nc(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)sc1Cc1ccccc1Cl ZINC001464318955 1068703608 /nfs/dbraw/zinc/70/36/08/1068703608.db2.gz PDQXJZPNZODVJW-DEOSSOPVSA-N 0 0 453.995 4.725 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001464319285 1068704291 /nfs/dbraw/zinc/70/42/91/1068704291.db2.gz LJMZVLPOBJXZOB-ZBFHGGJFSA-N 0 0 453.892 4.810 20 0 JJADRN C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1ccc(Br)s1 ZINC001464321120 1068704695 /nfs/dbraw/zinc/70/46/95/1068704695.db2.gz OXAFBKNQDLTHAJ-NSHDSACASA-N 0 0 456.793 4.540 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@@H](C)OCc2ccncc2)ccc1Cl ZINC001464327173 1068706885 /nfs/dbraw/zinc/70/68/85/1068706885.db2.gz KCDOCQBCEUNWSP-GOSISDBHSA-N 0 0 451.954 4.941 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC001464326274 1068706952 /nfs/dbraw/zinc/70/69/52/1068706952.db2.gz ITBBSEIKNOAXQV-HKUYNNGSSA-N 0 0 458.805 4.688 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCCOc1ccc(C(F)(F)F)cc1 ZINC001464329327 1068707890 /nfs/dbraw/zinc/70/78/90/1068707890.db2.gz VBPVOMKVFNSKNK-UHFFFAOYSA-N 0 0 455.786 4.770 20 0 JJADRN CCOc1c(Cl)cc(CNC(=O)c2cc(-c3c(C)nn([C@@H](C)CC)c3C)n[nH]2)cc1OC ZINC001464328544 1068707934 /nfs/dbraw/zinc/70/79/34/1068707934.db2.gz FGBRRWCOFKNQIJ-ZDUSSCGKSA-N 0 0 459.978 4.852 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)c1C ZINC001464329580 1068708071 /nfs/dbraw/zinc/70/80/71/1068708071.db2.gz QRKHCMGRTJIKRL-UHFFFAOYSA-N 0 0 452.549 4.724 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccncc2)cc1)c1ccccc1 ZINC001464331768 1068709179 /nfs/dbraw/zinc/70/91/79/1068709179.db2.gz DYXOWKKEMLDCHN-SANMLTNESA-N 0 0 456.590 4.670 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CCN1C(=O)OC(C)(C)C ZINC001464336797 1068710826 /nfs/dbraw/zinc/71/08/26/1068710826.db2.gz BBQLGDVDEHBNEW-YLJYHZDGSA-N 0 0 469.557 4.730 20 0 JJADRN CC1CCN(C(=O)C2CCN(C(=O)C(C)(C)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001464337932 1068711708 /nfs/dbraw/zinc/71/17/08/1068711708.db2.gz UNNFHZGOAODAJH-HXUWFJFHSA-N 0 0 455.426 4.550 20 0 JJADRN CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)[C@H]1CCCCO1 ZINC001464338085 1068711727 /nfs/dbraw/zinc/71/17/27/1068711727.db2.gz GVFASHWNLGPIJF-LJQANCHMSA-N 0 0 454.951 4.814 20 0 JJADRN COc1ccc(NC(=O)c2ccc(C3CC3)[nH]c2=O)cc1NC(=O)c1ccc(Cl)cc1F ZINC001464337991 1068711756 /nfs/dbraw/zinc/71/17/56/1068711756.db2.gz YATWZVXYUFBUPY-UHFFFAOYSA-N 0 0 455.873 4.970 20 0 JJADRN Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)c1 ZINC001464340030 1068712347 /nfs/dbraw/zinc/71/23/47/1068712347.db2.gz MSWDSSIPRACJSX-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN O=C(Cc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001464343040 1068713499 /nfs/dbraw/zinc/71/34/99/1068713499.db2.gz YWMMWZQKWXCIGA-UHFFFAOYSA-N 0 0 454.857 4.739 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(F)cc1Cl ZINC001464344284 1068713617 /nfs/dbraw/zinc/71/36/17/1068713617.db2.gz IHSPWYPNKNIUQC-LPHOPBHVSA-N 0 0 453.963 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)C1 ZINC001464351074 1068716075 /nfs/dbraw/zinc/71/60/75/1068716075.db2.gz WNRRNWRITPTTOO-JXFKEZNVSA-N 0 0 454.608 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)C1(C)C ZINC001464352354 1068716211 /nfs/dbraw/zinc/71/62/11/1068716211.db2.gz ZMSMVGWCBWGVLX-MRXNPFEDSA-N 0 0 459.490 4.587 20 0 JJADRN CC(C)(C)c1cc(OS(=O)(=O)C[C@@H]2CCC(F)(F)C2)ccc1I ZINC001464353089 1068716635 /nfs/dbraw/zinc/71/66/35/1068716635.db2.gz JTQBIGULWJSQOF-LLVKDONJSA-N 0 0 458.308 4.733 20 0 JJADRN CCC(CC)(C(=O)NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(OC)c(OC)c1 ZINC001464353450 1068716717 /nfs/dbraw/zinc/71/67/17/1068716717.db2.gz RRICSGBSLDWUHO-UHFFFAOYSA-N 0 0 453.583 4.706 20 0 JJADRN O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1ccc(CN2CCCC2=O)cc1 ZINC001464356497 1068717790 /nfs/dbraw/zinc/71/77/90/1068717790.db2.gz PAVRCHCDICGDLR-UHFFFAOYSA-N 0 0 453.995 4.809 20 0 JJADRN COc1ccc(Br)cc1NC(=O)c1c(O)cnc2c(Br)cccc21 ZINC001464357256 1068718382 /nfs/dbraw/zinc/71/83/82/1068718382.db2.gz CFNUDJCETFFZLE-UHFFFAOYSA-N 0 0 452.102 4.726 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC001464359142 1068718403 /nfs/dbraw/zinc/71/84/03/1068718403.db2.gz MKAMAQLCGPJTPM-UHFFFAOYSA-N 0 0 457.359 4.572 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC001464358354 1068718459 /nfs/dbraw/zinc/71/84/59/1068718459.db2.gz KYQHMLPHUGRKNH-UHFFFAOYSA-N 0 0 453.396 4.552 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001464359101 1068718498 /nfs/dbraw/zinc/71/84/98/1068718498.db2.gz LOQDNBKKBIGRBD-UHFFFAOYSA-N 0 0 452.517 4.648 20 0 JJADRN O=S(=O)(Cc1ccc(C2CCCCC2)cc1)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001464361280 1068718913 /nfs/dbraw/zinc/71/89/13/1068718913.db2.gz CBNKDBMASWDOBH-FCHUYYIVSA-N 0 0 455.542 4.688 20 0 JJADRN O=S(=O)(Cc1ccc(C2CCCCC2)cc1)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001464361283 1068719011 /nfs/dbraw/zinc/71/90/11/1068719011.db2.gz CBNKDBMASWDOBH-YADHBBJMSA-N 0 0 455.542 4.688 20 0 JJADRN O=S(=O)(Cc1ccc(C2CCCCC2)cc1)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001464361281 1068719103 /nfs/dbraw/zinc/71/91/03/1068719103.db2.gz CBNKDBMASWDOBH-FGZHOGPDSA-N 0 0 455.542 4.688 20 0 JJADRN Cc1cc(CN(C)C(=O)CC[C@H]2[C@@H](C)n3nccc3N[C@H]2C)cc(C)c1OCC(F)(F)F ZINC001464361864 1068719584 /nfs/dbraw/zinc/71/95/84/1068719584.db2.gz 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Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001464373632 1068722306 /nfs/dbraw/zinc/72/23/06/1068722306.db2.gz BLPGQZMOPKEBRY-MRXNPFEDSA-N 0 0 453.564 4.920 20 0 JJADRN CC(C)(C)c1ccc(-c2csc(NC(=O)c3n[nH]cc3I)n2)cc1 ZINC001464374103 1068722940 /nfs/dbraw/zinc/72/29/40/1068722940.db2.gz KUOZKRZAKCESJG-UHFFFAOYSA-N 0 0 452.321 4.688 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ncsc1Nc1ccccc1 ZINC001464375022 1068722950 /nfs/dbraw/zinc/72/29/50/1068722950.db2.gz BXVQGOBNXGINNR-OAHLLOKOSA-N 0 0 457.397 4.906 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc(C)c1F ZINC001464375897 1068723440 /nfs/dbraw/zinc/72/34/40/1068723440.db2.gz KZRUMQVNIXCZBG-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cccc(COc2ccccc2)c1 ZINC001464375813 1068723655 /nfs/dbraw/zinc/72/36/55/1068723655.db2.gz GVSQQTSMKASUBU-PGRDOPGGSA-N 0 0 454.567 4.642 20 0 JJADRN Cc1cccc(OC[C@H](C)NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 ZINC001464375958 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Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001464560448 1068781888 /nfs/dbraw/zinc/78/18/88/1068781888.db2.gz LTYDQNRYXNRSBN-ZDUSSCGKSA-N 0 0 451.436 4.812 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)s1 ZINC001464560915 1068782454 /nfs/dbraw/zinc/78/24/54/1068782454.db2.gz PPHSELCZENSEBD-UHFFFAOYSA-N 0 0 454.617 4.696 20 0 JJADRN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001464564433 1068783003 /nfs/dbraw/zinc/78/30/03/1068783003.db2.gz MKYNXVRIFPAALE-UHFFFAOYSA-N 0 0 455.624 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001464564208 1068783142 /nfs/dbraw/zinc/78/31/42/1068783142.db2.gz WCIBUYPZAACJAD-QGZVFWFLSA-N 0 0 455.986 4.894 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001464563866 1068783154 /nfs/dbraw/zinc/78/31/54/1068783154.db2.gz XVWMUYNDZRLTPA-LJQANCHMSA-N 0 0 456.493 4.759 20 0 JJADRN CC(C)N(Cc1ccccc1F)C(=O)CCC(=O)c1ccc(I)cc1 ZINC001464568051 1068784606 /nfs/dbraw/zinc/78/46/06/1068784606.db2.gz UXDLKCDLODVCPF-UHFFFAOYSA-N 0 0 453.295 4.830 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001464567857 1068784661 /nfs/dbraw/zinc/78/46/61/1068784661.db2.gz ZALYUGVQRVIXCN-UEVCKROQSA-N 0 0 452.595 4.958 20 0 JJADRN O=C(Nc1ccsc1C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC001464567730 1068784693 /nfs/dbraw/zinc/78/46/93/1068784693.db2.gz ZZKJTMGQDDNVBS-UHFFFAOYSA-N 0 0 459.369 4.506 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCc3ccc(Br)c(F)c3C2)ccc1C(F)(F)F ZINC001464571225 1068785693 /nfs/dbraw/zinc/78/56/93/1068785693.db2.gz ZWKKJXYKRZPLEW-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001464570773 1068785743 /nfs/dbraw/zinc/78/57/43/1068785743.db2.gz RSEGGESOQBAKFE-GDBMZVCRSA-N 0 0 451.539 4.903 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1Br)N1CCC[C@@H](Cc2nccs2)C1 ZINC001464570563 1068785765 /nfs/dbraw/zinc/78/57/65/1068785765.db2.gz FIXYZMMZMJOPPP-AWEZNQCLSA-N 0 0 451.411 4.702 20 0 JJADRN Cc1sc(Br)nc1C(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001464571201 1068786113 /nfs/dbraw/zinc/78/61/13/1068786113.db2.gz NJEOWMAITBEBRP-ZIAGYGMSSA-N 0 0 458.422 4.608 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC001464572747 1068786722 /nfs/dbraw/zinc/78/67/22/1068786722.db2.gz IGADRZYTZOXSRB-RJWMVNQGSA-N 0 0 452.595 4.940 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@H](Cc3nccs3)C2)cc(C)c1OCc1ccccc1 ZINC001464573161 1068787294 /nfs/dbraw/zinc/78/72/94/1068787294.db2.gz XUHQGVPIGOJRGL-OAQYLSRUSA-N 0 0 456.633 4.982 20 0 JJADRN Cc1cc(SC2CCCCC2)ccc1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001464573589 1068787351 /nfs/dbraw/zinc/78/73/51/1068787351.db2.gz MBLQKMVLLHZOPL-UHFFFAOYSA-N 0 0 450.651 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1ccccc1Br ZINC001464573129 1068787361 /nfs/dbraw/zinc/78/73/61/1068787361.db2.gz QHKCPOYRPPGJKI-OALUTQOASA-N 0 0 451.405 4.772 20 0 JJADRN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 ZINC001464574155 1068787812 /nfs/dbraw/zinc/78/78/12/1068787812.db2.gz OGEVIHJNNMICDW-OFNKIYASSA-N 0 0 459.631 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001464574606 1068787876 /nfs/dbraw/zinc/78/78/76/1068787876.db2.gz SZAZCTHUXKPZPU-GUDVDZBRSA-N 0 0 457.398 4.807 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 ZINC001464575146 1068788321 /nfs/dbraw/zinc/78/83/21/1068788321.db2.gz KWKJIRZAFMNPMP-JOCHJYFZSA-N 0 0 456.583 4.950 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)NCC(C)(C)c4cccc(C)c4)cc3C2=O)cc1 ZINC001464577035 1068789221 /nfs/dbraw/zinc/78/92/21/1068789221.db2.gz QFPFKDLKZBPKMP-UHFFFAOYSA-N 0 0 456.542 4.902 20 0 JJADRN C[C@@H]1c2ccc(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)n2CCN1C(=O)OC(C)(C)C ZINC001464577594 1068789308 /nfs/dbraw/zinc/78/93/08/1068789308.db2.gz ZXPUDWFPLFAUOC-OAHLLOKOSA-N 0 0 455.946 4.891 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC001464578002 1068789357 /nfs/dbraw/zinc/78/93/57/1068789357.db2.gz BVGFDNUUWBHINF-DLBZAZTESA-N 0 0 455.462 4.865 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)cc1C ZINC001464579257 1068789942 /nfs/dbraw/zinc/78/99/42/1068789942.db2.gz LJKLGYUAISMNSI-OAQYLSRUSA-N 0 0 452.414 4.942 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(OCC3CCCCC3)cc2)C(C)C)cc1 ZINC001464580759 1068790369 /nfs/dbraw/zinc/79/03/69/1068790369.db2.gz VBYIXVOESFMNBP-DEOSSOPVSA-N 0 0 458.624 4.896 20 0 JJADRN O=C(Nc1ccc(OCC2CCCCC2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001464580823 1068790426 /nfs/dbraw/zinc/79/04/26/1068790426.db2.gz VICGNHZVYKSBHC-PKTZIBPZSA-N 0 0 456.583 4.566 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(C)c1 ZINC001464582168 1068790861 /nfs/dbraw/zinc/79/08/61/1068790861.db2.gz OLCUJPSWYRCFFI-HNNXBMFYSA-N 0 0 456.269 4.670 20 0 JJADRN CC(C)(C)c1csc(C2CCN(S(=O)(=O)Cc3ccccc3Br)CC2)n1 ZINC001464585345 1068791433 /nfs/dbraw/zinc/79/14/33/1068791433.db2.gz AURKUDUANMGNNW-UHFFFAOYSA-N 0 0 457.459 4.913 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546148049 1068793088 /nfs/dbraw/zinc/79/30/88/1068793088.db2.gz CNFRSDRYTNEGMO-QUCCMNQESA-N 0 0 471.621 4.938 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)Cc3coc4c3ccc(Cl)c4C)CC2)cc1 ZINC001464597269 1068794718 /nfs/dbraw/zinc/79/47/18/1068794718.db2.gz FGMUKBDHDAHHPC-UHFFFAOYSA-N 0 0 454.954 4.757 20 0 JJADRN CC(C)CN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001464598440 1068794930 /nfs/dbraw/zinc/79/49/30/1068794930.db2.gz CETQVEVOONNZDC-FQEVSTJZSA-N 0 0 453.004 4.530 20 0 JJADRN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001464599958 1068795314 /nfs/dbraw/zinc/79/53/14/1068795314.db2.gz ILXUIYXACFAQII-SNVBAGLBSA-N 0 0 454.848 4.548 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N2CCC[C@H]2c2cncc(Br)c2)cc1C ZINC001464599537 1068795390 /nfs/dbraw/zinc/79/53/90/1068795390.db2.gz HUBWTUDVCHTOFZ-SFHVURJKSA-N 0 0 453.402 4.810 20 0 JJADRN COc1ccccc1C(C)(C)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001464598957 1068795435 /nfs/dbraw/zinc/79/54/35/1068795435.db2.gz QLHYYLPGRGDQTG-UHFFFAOYSA-N 0 0 454.473 4.639 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001464599957 1068795489 /nfs/dbraw/zinc/79/54/89/1068795489.db2.gz NUVWRYFQQBIGAP-QHCPKHFHSA-N 0 0 456.539 4.559 20 0 JJADRN COCCCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001464600739 1068795789 /nfs/dbraw/zinc/79/57/89/1068795789.db2.gz XNWVMPBUHKJBMX-AREMUKBSSA-N 0 0 458.558 4.761 20 0 JJADRN Cc1nc(-c2ccc(CNC(=O)c3cc(CNC(=O)OC(C)(C)C)n(C)c3C)cc2)cs1 ZINC001464601947 1068795863 /nfs/dbraw/zinc/79/58/63/1068795863.db2.gz BMMZJZGRQVXNCC-UHFFFAOYSA-N 0 0 454.596 4.720 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CCOCC1 ZINC001546148135 1068796349 /nfs/dbraw/zinc/79/63/49/1068796349.db2.gz GFWKDUSSQCXDDL-GOSISDBHSA-N 0 0 455.553 4.946 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CCC1 ZINC001546148132 1068796406 /nfs/dbraw/zinc/79/64/06/1068796406.db2.gz GEVHIWRMCSYSOG-UHFFFAOYSA-N 0 0 483.657 4.763 20 0 JJADRN Cc1c([C@H](C)NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cnn1-c1ccc(F)cc1 ZINC001464606572 1068797543 /nfs/dbraw/zinc/79/75/43/1068797543.db2.gz ZHOZZLCGWZHEQI-MRDQGFSESA-N 0 0 451.542 4.912 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2nc(C)c(Cc3ccccc3)s2)c1 ZINC001464609509 1068797960 /nfs/dbraw/zinc/79/79/60/1068797960.db2.gz QLGZHWDRRMVBNO-UHFFFAOYSA-N 0 0 450.589 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1NC(=O)/C=C\c1ccsc1 ZINC001464613031 1068799190 /nfs/dbraw/zinc/79/91/90/1068799190.db2.gz IICTXFRHYWDLDO-LENZSSGSSA-N 0 0 456.564 4.956 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464614298 1068799629 /nfs/dbraw/zinc/79/96/29/1068799629.db2.gz MQERMLMWDMFUEP-ACJLOTCBSA-N 0 0 458.274 4.835 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464614303 1068799769 /nfs/dbraw/zinc/79/97/69/1068799769.db2.gz MQERMLMWDMFUEP-UGSOOPFHSA-N 0 0 458.274 4.835 20 0 JJADRN CS[C@@H](C)CCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001464614198 1068799799 /nfs/dbraw/zinc/79/97/99/1068799799.db2.gz LVNXRGBQYVNSJA-DLBZAZTESA-N 0 0 450.601 4.713 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464614215 1068799851 /nfs/dbraw/zinc/79/98/51/1068799851.db2.gz LXIORGFOWIMWRM-SFHVURJKSA-N 0 0 453.174 4.663 20 0 JJADRN CCC1(C)CCN(C(=O)Cc2ccc(I)c(Br)c2)CC1 ZINC001464618051 1068801367 /nfs/dbraw/zinc/80/13/67/1068801367.db2.gz LYTCLYFCZRGZMZ-UHFFFAOYSA-N 0 0 450.158 4.635 20 0 JJADRN O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001464619137 1068801426 /nfs/dbraw/zinc/80/14/26/1068801426.db2.gz GXCHQOCLKBVRPQ-AWEZNQCLSA-N 0 0 455.477 4.524 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2)nc1)c1c(O)cnc2c(Br)cccc21 ZINC001464623606 1068802066 /nfs/dbraw/zinc/80/20/66/1068802066.db2.gz AUPNBBUZHMQZGQ-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN C[C@]1(c2ccc(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001464626069 1068802386 /nfs/dbraw/zinc/80/23/86/1068802386.db2.gz NCWKBEHZVBUKDV-HSZRJFAPSA-N 0 0 451.935 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OCCC(F)(F)F)c2ccccc21 ZINC001464624755 1068802660 /nfs/dbraw/zinc/80/26/60/1068802660.db2.gz OGRBZHBHAXBXBD-HOTGVXAUSA-N 0 0 458.477 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(S(=O)(=O)c1cccc(-c3ccccc3)c1)C2 ZINC001464627886 1068803224 /nfs/dbraw/zinc/80/32/24/1068803224.db2.gz PSCGRNLUCQMZPY-VWLOTQADSA-N 0 0 456.608 4.908 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001464635006 1068805356 /nfs/dbraw/zinc/80/53/56/1068805356.db2.gz ZAOIPFGROJLMIN-LEWJYISDSA-N 0 0 452.599 4.537 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccc(Br)c(Br)c2)ccc1Cl ZINC001464635718 1068806302 /nfs/dbraw/zinc/80/63/02/1068806302.db2.gz BKAKUJCOVLHBAE-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN CCCC[C@@H](NC(=O)c1snc(Cl)c1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464636246 1068806795 /nfs/dbraw/zinc/80/67/95/1068806795.db2.gz RHQABIYGXNRQEY-OAHLLOKOSA-N 0 0 455.411 4.977 20 0 JJADRN O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001464637693 1068807074 /nfs/dbraw/zinc/80/70/74/1068807074.db2.gz RGJAONPZKKRUPA-KRWDZBQOSA-N 0 0 459.167 4.611 20 0 JJADRN CC(C)(C)c1ccc2cc(C(=O)NCc3cccc(S(=O)(=O)N4CCCCC4)c3)[nH]c2c1 ZINC001464640700 1068807304 /nfs/dbraw/zinc/80/73/04/1068807304.db2.gz MKPRFCUUXLQBOK-UHFFFAOYSA-N 0 0 453.608 4.570 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc3ccc(Cl)cc32)cc1 ZINC001464639578 1068807334 /nfs/dbraw/zinc/80/73/34/1068807334.db2.gz MLUXZXMVYMAHEI-UHFFFAOYSA-N 0 0 453.969 4.803 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CCCC1 ZINC001546148354 1068807467 /nfs/dbraw/zinc/80/74/67/1068807467.db2.gz NJJUHEJYXTUMND-LJQANCHMSA-N 0 0 479.591 4.921 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001464641044 1068808103 /nfs/dbraw/zinc/80/81/03/1068808103.db2.gz GSGXJRCXFFIOOG-UHFFFAOYSA-N 0 0 456.468 4.570 20 0 JJADRN COc1ccnc(N2CCN(C(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CC2)n1 ZINC001464640056 1068808265 /nfs/dbraw/zinc/80/82/65/1068808265.db2.gz VLPPUZDIAHMYOK-UHFFFAOYSA-N 0 0 457.770 4.623 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(SC(F)(F)F)cc2Cl)s1 ZINC001464641415 1068808460 /nfs/dbraw/zinc/80/84/60/1068808460.db2.gz DEMYGWGLNLZOIC-QMMMGPOBSA-N 0 0 459.920 4.978 20 0 JJADRN O=C(C=Cc1ccccc1OC(F)(F)F)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001464641823 1068808636 /nfs/dbraw/zinc/80/86/36/1068808636.db2.gz YXYQZOJNKDJLCX-YFHOEESVSA-N 0 0 453.218 4.785 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546148417 1068809781 /nfs/dbraw/zinc/80/97/81/1068809781.db2.gz PHFVFDSHSTWQOV-ICSRJNTNSA-N 0 0 471.621 4.938 20 0 JJADRN O=S(=O)(NCc1ccc(Br)c(Br)c1)C1=Cc2ccccc2CC1 ZINC001464647012 1068810386 /nfs/dbraw/zinc/81/03/86/1068810386.db2.gz VIWOHZACWRIEHE-UHFFFAOYSA-N 0 0 457.187 4.618 20 0 JJADRN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(NCc3ccsc3)cc2)CC1 ZINC001464647711 1068810565 /nfs/dbraw/zinc/81/05/65/1068810565.db2.gz XJTUSFXNSKOMSK-UHFFFAOYSA-N 0 0 452.555 4.926 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001464649202 1068810950 /nfs/dbraw/zinc/81/09/50/1068810950.db2.gz OKHGSCIWGKTGDI-IBGZPJMESA-N 0 0 455.002 4.531 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001464649958 1068810986 /nfs/dbraw/zinc/81/09/86/1068810986.db2.gz RMVMWDOONUTTDC-UHFFFAOYSA-N 0 0 457.283 4.618 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1)CC1CC1 ZINC001464649159 1068811055 /nfs/dbraw/zinc/81/10/55/1068811055.db2.gz NUYPOZWZRBSLQW-FQEVSTJZSA-N 0 0 454.571 4.827 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC001464650607 1068811466 /nfs/dbraw/zinc/81/14/66/1068811466.db2.gz BCGRMWPBTLVIRK-FQEVSTJZSA-N 0 0 455.599 4.521 20 0 JJADRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC001464651100 1068811700 /nfs/dbraw/zinc/81/17/00/1068811700.db2.gz WRRWOFCVAXUNAH-IBGZPJMESA-N 0 0 456.340 4.583 20 0 JJADRN CS(C)(=O)=Nc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC001464652282 1068811952 /nfs/dbraw/zinc/81/19/52/1068811952.db2.gz IWDORNZHEHBCFH-KRWDZBQOSA-N 0 0 458.971 4.769 20 0 JJADRN COC[C@@]1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCCCN1C(=O)OC(C)(C)C ZINC001464652721 1068812766 /nfs/dbraw/zinc/81/27/66/1068812766.db2.gz DRGOLMPOTVTLRO-JOCHJYFZSA-N 0 0 457.398 4.684 20 0 JJADRN C[C@@H](NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Oc1ccccc1 ZINC001464658111 1068814359 /nfs/dbraw/zinc/81/43/59/1068814359.db2.gz BMTUSOLNSZVKDK-LJQANCHMSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1cc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc(Cl)c1Br ZINC001464659230 1068814815 /nfs/dbraw/zinc/81/48/15/1068814815.db2.gz ZUBWPCIBCADHNB-UHFFFAOYSA-N 0 0 451.748 4.758 20 0 JJADRN Cc1cccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)CCCC2)c1 ZINC001464662859 1068816224 /nfs/dbraw/zinc/81/62/24/1068816224.db2.gz WQTMQWXPHCCUNB-OAQYLSRUSA-N 0 0 456.533 4.829 20 0 JJADRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001464667947 1068817820 /nfs/dbraw/zinc/81/78/20/1068817820.db2.gz SOYOUZMZFRFHCD-KRWDZBQOSA-N 0 0 458.986 4.933 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)[C@@H]3C[C@]3(C)c3cccc(Br)c3)co2)cc1 ZINC001464669051 1068818472 /nfs/dbraw/zinc/81/84/72/1068818472.db2.gz MUJOBAJWHIHDCY-NZQKXSOJSA-N 0 0 455.352 4.749 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N(C)CCC2CCCCC2)cc1 ZINC001464671172 1068819061 /nfs/dbraw/zinc/81/90/61/1068819061.db2.gz VVBCRCMEMMPSRB-RUZDIDTESA-N 0 0 454.636 4.539 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001464673028 1068819534 /nfs/dbraw/zinc/81/95/34/1068819534.db2.gz FUYLXYSKUGWXRP-PXNSSMCTSA-N 0 0 455.603 4.507 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(C(=O)[C@@H](CCc3ccccc3)C(C)C)CC2)cc1 ZINC001464673039 1068819692 /nfs/dbraw/zinc/81/96/92/1068819692.db2.gz FZYSJXCBXKWDEY-SANMLTNESA-N 0 0 450.623 4.594 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)c2ccccc21 ZINC001464673418 1068820261 /nfs/dbraw/zinc/82/02/61/1068820261.db2.gz MWXUFJKHIOTNLF-SFHVURJKSA-N 0 0 458.967 4.913 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001464674651 1068820448 /nfs/dbraw/zinc/82/04/48/1068820448.db2.gz KJBALXGKCTUPCR-UHFFFAOYSA-N 0 0 455.356 4.571 20 0 JJADRN C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464676249 1068821494 /nfs/dbraw/zinc/82/14/94/1068821494.db2.gz IKDDTIRNKYBFFF-IAGOWNOFSA-N 0 0 452.636 4.532 20 0 JJADRN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464679289 1068822516 /nfs/dbraw/zinc/82/25/16/1068822516.db2.gz ISZRCVRXROEMKG-VQTJNVASSA-N 0 0 451.449 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CC1 ZINC001464679706 1068822655 /nfs/dbraw/zinc/82/26/55/1068822655.db2.gz QNXODMJVQLHOJX-UHFFFAOYSA-N 0 0 452.555 4.700 20 0 JJADRN O=Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c2)c1 ZINC001464681728 1068822979 /nfs/dbraw/zinc/82/29/79/1068822979.db2.gz WPOCGOSQVHRGHA-UHFFFAOYSA-N 0 0 451.482 4.978 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)C1 ZINC001464681865 1068823175 /nfs/dbraw/zinc/82/31/75/1068823175.db2.gz FOYMNGKXOPUWLN-WMZOPIPTSA-N 0 0 456.612 4.680 20 0 JJADRN CCCN(C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001464680493 1068823226 /nfs/dbraw/zinc/82/32/26/1068823226.db2.gz VEICHSHQPJYRAN-FGZHOGPDSA-N 0 0 471.642 4.613 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)cc12 ZINC001464683424 1068823574 /nfs/dbraw/zinc/82/35/74/1068823574.db2.gz KBORBSXYEJMHLQ-QGZVFWFLSA-N 0 0 454.596 4.691 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001464683091 1068823951 /nfs/dbraw/zinc/82/39/51/1068823951.db2.gz IAMKZUKMUODZLU-MRXNPFEDSA-N 0 0 459.974 4.993 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@@H](CC3CCCCC3)c3ccccc3)cc12 ZINC001464686789 1068825690 /nfs/dbraw/zinc/82/56/90/1068825690.db2.gz UGDWEMLESNPYTA-UTKZUKDTSA-N 0 0 452.624 4.889 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H](C)c3cccc(Br)c3)C2)cc1 ZINC001464690293 1068826129 /nfs/dbraw/zinc/82/61/29/1068826129.db2.gz KANDYKXIMMZMCM-QZTJIDSGSA-N 0 0 458.400 4.921 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)cc1 ZINC001464692019 1068826816 /nfs/dbraw/zinc/82/68/16/1068826816.db2.gz LWVUWNIXYICKMH-NQSCKRDGSA-N 0 0 475.511 4.537 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1)c1ccccc1 ZINC001464692608 1068826899 /nfs/dbraw/zinc/82/68/99/1068826899.db2.gz HFEYUIUKOCYDMF-RJGXRXQPSA-N 0 0 456.533 4.693 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2c(C)nc(C(C)C)nc2SC)CC1)c1ccccc1 ZINC001464694265 1068827459 /nfs/dbraw/zinc/82/74/59/1068827459.db2.gz KAZHJXJQZWIOCP-HXUWFJFHSA-N 0 0 454.640 4.545 20 0 JJADRN C[C@@]1(Cc2ccc(Cl)s2)CCCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC001464693985 1068827476 /nfs/dbraw/zinc/82/74/76/1068827476.db2.gz GVGKNDJGUXVIDC-IBGZPJMESA-N 0 0 459.420 4.726 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)Cc2cc(Br)ccc2C)CC1)c1ccccc1 ZINC001464697971 1068828427 /nfs/dbraw/zinc/82/84/27/1068828427.db2.gz TYAKNCSDPPBQGZ-QFIPXVFZSA-N 0 0 457.412 4.601 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C/C=C/c3ccc(C(C)C)cc3)C2)cc1 ZINC001464698386 1068828612 /nfs/dbraw/zinc/82/86/12/1068828612.db2.gz BUAWMPBVHFDCRN-FIYNHDKVSA-N 0 0 454.636 4.739 20 0 JJADRN CCc1cc(C(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)ccc1Br ZINC001464699934 1068829064 /nfs/dbraw/zinc/82/90/64/1068829064.db2.gz YGSAPNSMNRYCRA-OAQYLSRUSA-N 0 0 457.412 4.926 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)/C(C)=C\c2ccc(Br)o2)CC1)c1ccccc1 ZINC001464699900 1068829131 /nfs/dbraw/zinc/82/91/31/1068829131.db2.gz YEASPVZNZFIUMO-CNNWTFKKSA-N 0 0 459.384 4.746 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001464701870 1068829688 /nfs/dbraw/zinc/82/96/88/1068829688.db2.gz CZMAEJVQYNXSOL-LJQANCHMSA-N 0 0 451.498 4.851 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3N)cc2)cc1 ZINC001464703484 1068830156 /nfs/dbraw/zinc/83/01/56/1068830156.db2.gz GBFLECIESBLNFU-UHFFFAOYSA-N 0 0 450.438 4.736 20 0 JJADRN COc1ccc(N(CCC(=O)N2CCC(C)(C)CC2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001464702883 1068830310 /nfs/dbraw/zinc/83/03/10/1068830310.db2.gz ADXGXBVGEINVHT-UHFFFAOYSA-N 0 0 458.624 4.546 20 0 JJADRN CC(C)COC[C@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)c1ccco1 ZINC001464703058 1068830515 /nfs/dbraw/zinc/83/05/15/1068830515.db2.gz SIZDWZDWNFTPCM-QFIPXVFZSA-N 0 0 456.583 4.759 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)C1 ZINC001464704496 1068830830 /nfs/dbraw/zinc/83/08/30/1068830830.db2.gz HBLBOMOJFRAKJI-HOYKHHGWSA-N 0 0 459.993 4.657 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC001464704089 1068830847 /nfs/dbraw/zinc/83/08/47/1068830847.db2.gz PTQFQWXWEYQSIK-NSHDSACASA-N 0 0 455.798 4.941 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001464703827 1068831041 /nfs/dbraw/zinc/83/10/41/1068831041.db2.gz IMQHSIWONYZZQZ-HNNXBMFYSA-N 0 0 457.527 4.635 20 0 JJADRN O=C(c1cnc(CCC(F)(F)F)s1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001464704576 1068831471 /nfs/dbraw/zinc/83/14/71/1068831471.db2.gz JSTGGVGYEHAORB-CYBMUJFWSA-N 0 0 454.449 4.847 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1N ZINC001464706239 1068832190 /nfs/dbraw/zinc/83/21/90/1068832190.db2.gz GNKXTIQGZVEEGL-UHFFFAOYSA-N 0 0 459.731 4.893 20 0 JJADRN O=C(CCC[C@H](O)c1ccccc1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001464705984 1068832212 /nfs/dbraw/zinc/83/22/12/1068832212.db2.gz CAHVANFJEAMBEP-NRFANRHFSA-N 0 0 459.384 4.530 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001464706212 1068832346 /nfs/dbraw/zinc/83/23/46/1068832346.db2.gz GFFNEJHVLGMKEZ-GOSISDBHSA-N 0 0 451.723 4.830 20 0 JJADRN Cc1cccc([C@H](NS(=O)(=O)c2ccc3sc(Cl)nc3c2)C(=O)OC(C)(C)C)c1 ZINC001464707473 1068832681 /nfs/dbraw/zinc/83/26/81/1068832681.db2.gz MNSYHFHTBWRYIU-KRWDZBQOSA-N 0 0 452.985 4.619 20 0 JJADRN Cc1cccc([C@@H](NS(=O)(=O)c2ccc3sc(Cl)nc3c2)C(=O)OC(C)(C)C)c1 ZINC001464707476 1068832798 /nfs/dbraw/zinc/83/27/98/1068832798.db2.gz MNSYHFHTBWRYIU-QGZVFWFLSA-N 0 0 452.985 4.619 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)Nc2nnc(C(C)C)[nH]2)cc1 ZINC001464709342 1068833239 /nfs/dbraw/zinc/83/32/39/1068833239.db2.gz ATGLIEIKMYFUQB-UHFFFAOYSA-N 0 0 455.584 4.587 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC001464708529 1068833619 /nfs/dbraw/zinc/83/36/19/1068833619.db2.gz YFDJFQMTXOKZTC-UHFFFAOYSA-N 0 0 455.502 4.688 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1OC ZINC001464710142 1068833932 /nfs/dbraw/zinc/83/39/32/1068833932.db2.gz ROHVFYHMCHRIEY-KRWDZBQOSA-N 0 0 453.514 4.577 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1OC ZINC001464710149 1068834083 /nfs/dbraw/zinc/83/40/83/1068834083.db2.gz ROHVFYHMCHRIEY-QGZVFWFLSA-N 0 0 453.514 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C(=O)Nc3cccnc3)c(Cl)c1)C2 ZINC001464711026 1068834518 /nfs/dbraw/zinc/83/45/18/1068834518.db2.gz QKIHZOJPXLAWMM-KPFFTGBYSA-N 0 0 470.957 4.714 20 0 JJADRN C[C@](O)(C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC001464711537 1068834741 /nfs/dbraw/zinc/83/47/41/1068834741.db2.gz CBLCWPWGTLVOEZ-AZGAKELHSA-N 0 0 452.957 4.620 20 0 JJADRN COc1ccccc1OCC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464713100 1068835121 /nfs/dbraw/zinc/83/51/21/1068835121.db2.gz GGHDLDVVXIFHBM-SANMLTNESA-N 0 0 450.966 4.661 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001464712333 1068835201 /nfs/dbraw/zinc/83/52/01/1068835201.db2.gz VUBYSPBOABIIOO-MRXNPFEDSA-N 0 0 455.559 4.839 20 0 JJADRN O=C(COc1ccc(F)c(F)c1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464713276 1068835237 /nfs/dbraw/zinc/83/52/37/1068835237.db2.gz HMVUJRHIKAVNOE-RUZDIDTESA-N 0 0 456.920 4.931 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)cc1Cl ZINC001464713243 1068835286 /nfs/dbraw/zinc/83/52/86/1068835286.db2.gz QHEPJBYVXFCZER-GGAORHGYSA-N 0 0 456.951 4.842 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464715330 1068835981 /nfs/dbraw/zinc/83/59/81/1068835981.db2.gz ODNQXJRPESMMOI-YZUZCNPQSA-N 0 0 454.998 4.553 20 0 JJADRN COc1cc(Br)c(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1OC ZINC001464718470 1068836859 /nfs/dbraw/zinc/83/68/59/1068836859.db2.gz LYWPBRDEHDMONS-UHFFFAOYSA-N 0 0 453.764 4.836 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2ccnc(Sc3ccccn3)c2)cs1 ZINC001464716177 1068836960 /nfs/dbraw/zinc/83/69/60/1068836960.db2.gz DOOBWGRHJMXKKC-CYBMUJFWSA-N 0 0 457.581 4.922 20 0 JJADRN CC(C)(C)O[C@H](C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001464719486 1068837152 /nfs/dbraw/zinc/83/71/52/1068837152.db2.gz HFVUVMNTQRKOLY-QHCPKHFHSA-N 0 0 452.576 4.660 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Nc2cccnc2)cc1 ZINC001464719594 1068837352 /nfs/dbraw/zinc/83/73/52/1068837352.db2.gz HLDXMOUESUIFFP-UHFFFAOYSA-N 0 0 458.543 4.556 20 0 JJADRN CC[C@@H](C(=O)N1CCC(Nc2ccccc2Cl)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001464719047 1068837484 /nfs/dbraw/zinc/83/74/84/1068837484.db2.gz OYEWFJNEPFRAJC-FQEVSTJZSA-N 0 0 459.381 4.701 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)c1 ZINC001464720717 1068837878 /nfs/dbraw/zinc/83/78/78/1068837878.db2.gz RUMAGXGOARDNPA-BFUOFWGJSA-N 0 0 473.455 4.704 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1sc2ncccc2c1Cl ZINC001464724418 1068839026 /nfs/dbraw/zinc/83/90/26/1068839026.db2.gz UQQNLEXWYHKPOR-UHFFFAOYSA-N 0 0 457.964 4.681 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c3nnc(SCC(=O)N4CCCCC4)n3c3ccccc3c2=O)cc1 ZINC000003565280 194337853 /nfs/dbraw/zinc/33/78/53/194337853.db2.gz XCDPWJFGCHDHRU-GOSISDBHSA-N 0 0 475.618 4.652 20 0 JJADRN COCCCn1c2nnc(SCc3nc4ccccc4c(C)c3Cl)n2c2ccccc2c1=O ZINC000012633159 195065087 /nfs/dbraw/zinc/06/50/87/195065087.db2.gz LBOKPZSFYTXNLI-UHFFFAOYSA-N 0 0 479.993 4.883 20 0 JJADRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000012790097 195131134 /nfs/dbraw/zinc/13/11/34/195131134.db2.gz KODSDQRMRJYNPK-UHFFFAOYSA-N 0 0 464.465 4.500 20 0 JJADRN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000002644736 562925795 /nfs/dbraw/zinc/92/57/95/562925795.db2.gz UGBDPYMTZVUXPR-UHFFFAOYSA-N 0 0 452.285 4.596 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C)n3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057066 562932128 /nfs/dbraw/zinc/93/21/28/562932128.db2.gz PITLBOBEXYPEKE-HFZDXXHNSA-N 0 0 475.545 4.539 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C)n3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004057065 562932141 /nfs/dbraw/zinc/93/21/41/562932141.db2.gz PITLBOBEXYPEKE-QFQXNSOFSA-N 0 0 475.545 4.539 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(OC)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000015012107 563011181 /nfs/dbraw/zinc/01/11/81/563011181.db2.gz KQFMPGINNNQWTL-YIXXDRMTSA-N 0 0 490.556 4.844 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(C[C@@H]3CCO)CC2)cc1 ZINC001164392353 718811279 /nfs/dbraw/zinc/81/12/79/718811279.db2.gz LPRWGKOKFLTFMW-KRWDZBQOSA-N 0 0 450.913 4.722 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4c5ccccc5C(=O)[C@@H]4C3)c2c1C ZINC001164405094 718848810 /nfs/dbraw/zinc/84/88/10/718848810.db2.gz KSLHXAMFLIICIA-WOJBJXKFSA-N 0 0 490.629 4.579 20 0 JJADRN O=C1Nc2ccccc2[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164402676 718858420 /nfs/dbraw/zinc/85/84/20/718858420.db2.gz LAYSQQLZJRMYEG-PMACEKPBSA-N 0 0 473.646 4.728 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C(=O)Nc6ccccc6[C@H]5C4)c23)C1 ZINC001164401070 718858449 /nfs/dbraw/zinc/85/84/49/718858449.db2.gz BTTBTHDFMJXMOD-AHRSYUTCSA-N 0 0 473.646 4.584 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5c6ccccc6NC(=O)[C@@H]5C3)n2)CCC4)CC1 ZINC001164404063 718858503 /nfs/dbraw/zinc/85/85/03/718858503.db2.gz OGCZMDGKIVPSFU-VQTJNVASSA-N 0 0 473.646 4.584 20 0 JJADRN O=C1Nc2ccccc2[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164402678 718858547 /nfs/dbraw/zinc/85/85/47/718858547.db2.gz LAYSQQLZJRMYEG-VQTJNVASSA-N 0 0 473.646 4.728 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407209 718859383 /nfs/dbraw/zinc/85/93/83/718859383.db2.gz XPFCUGGTDLVHQE-SJORKVTESA-N 0 0 456.880 4.523 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2C[C@H]3C(=O)Nc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164405413 718859443 /nfs/dbraw/zinc/85/94/43/718859443.db2.gz RNUYXBNHSVTEBA-HZPDHXFCSA-N 0 0 456.880 4.523 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CC(F)(F)[C@@H]2C1 ZINC001164410346 718869741 /nfs/dbraw/zinc/86/97/41/718869741.db2.gz ZFLGSNVQJKAKKM-SMDDNHRTSA-N 0 0 464.246 4.777 20 0 JJADRN Cc1cc(C(F)(F)N2CCO[C@H](c3ncn4c3cccc4Br)C2)cc(Cl)n1 ZINC001164416303 718889623 /nfs/dbraw/zinc/88/96/23/718889623.db2.gz CYJNEYJCIIYANN-AWEZNQCLSA-N 0 0 457.706 4.576 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164418551 718890043 /nfs/dbraw/zinc/89/00/43/718890043.db2.gz OXZBHTZXNUKAIZ-GFCCVEGCSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419149 718890143 /nfs/dbraw/zinc/89/01/43/718890143.db2.gz QAYVTYYVSMTBMV-MRXNPFEDSA-N 0 0 494.727 4.816 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164417010 718890351 /nfs/dbraw/zinc/89/03/51/718890351.db2.gz GXFWEULLVBHVMT-ZDUSSCGKSA-N 0 0 482.716 4.749 20 0 JJADRN FC1(F)CO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164426254 718928865 /nfs/dbraw/zinc/92/88/65/718928865.db2.gz YTLCFBWCLGXYMB-RTBURBONSA-N 0 0 456.562 4.815 20 0 JJADRN O=C1CC2(CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC2)c2cc(F)ccc21 ZINC001164425927 718936424 /nfs/dbraw/zinc/93/64/24/718936424.db2.gz YSMXTMXXVBNVDN-UHFFFAOYSA-N 0 0 450.892 4.539 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164430770 718953917 /nfs/dbraw/zinc/95/39/17/718953917.db2.gz XZXFUJCPEOHDCD-LJQANCHMSA-N 0 0 463.956 4.590 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164428044 718954376 /nfs/dbraw/zinc/95/43/76/718954376.db2.gz HXZSLNSXSWIBFA-IBGZPJMESA-N 0 0 488.966 4.763 20 0 JJADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164435102 718980533 /nfs/dbraw/zinc/98/05/33/718980533.db2.gz ZBAHCKCHABEHJW-RXVVDRJESA-N 0 0 454.876 4.635 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC(n4c5ccccc5[nH]c4=O)CC3)c2c1C ZINC000514485112 719128847 /nfs/dbraw/zinc/12/88/47/719128847.db2.gz GAAZQZKXZUVKOO-UHFFFAOYSA-N 0 0 462.623 4.801 20 0 JJADRN CN1CCc2nc(Cl)nc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)c2C1 ZINC001164624825 719131628 /nfs/dbraw/zinc/13/16/28/719131628.db2.gz WKNCAULKXMGUDY-QHCPKHFHSA-N 0 0 484.431 4.941 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)c2ccccc21 ZINC001164636592 719139524 /nfs/dbraw/zinc/13/95/24/719139524.db2.gz ZGKDYLFZKHJVNI-SFHVURJKSA-N 0 0 499.389 4.806 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC[C@H](OCC(=O)N(C)C)c4ccccc43)CC2)nc1Cl ZINC001164633794 719140063 /nfs/dbraw/zinc/14/00/63/719140063.db2.gz SULRETMMWCQAGA-IBGZPJMESA-N 0 0 493.982 4.766 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164642853 719260535 /nfs/dbraw/zinc/26/05/35/719260535.db2.gz ZEYRGBSBVHLNHS-IGKWTDBASA-N 0 0 491.039 4.916 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c(Cl)n1 ZINC001164641140 719262035 /nfs/dbraw/zinc/26/20/35/719262035.db2.gz VQUWICKWZIBUKE-MDASCCDHSA-N 0 0 480.943 4.727 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@H]3C2)c(Cl)n1 ZINC001164641142 719262188 /nfs/dbraw/zinc/26/21/88/719262188.db2.gz VQUWICKWZIBUKE-ZMYBRWDISA-N 0 0 480.943 4.727 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645513 719288478 /nfs/dbraw/zinc/28/84/78/719288478.db2.gz JPYKFPPQDZIIKZ-RRQGHBQHSA-N 0 0 496.967 4.542 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645254 719291453 /nfs/dbraw/zinc/29/14/53/719291453.db2.gz FBHORJDSBWJCOP-DRZSPHRISA-N 0 0 469.970 4.671 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647345 719294473 /nfs/dbraw/zinc/29/44/73/719294473.db2.gz DUHFUQWZRYHJRU-JYJNAYRXSA-N 0 0 464.727 4.935 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646326 719294827 /nfs/dbraw/zinc/29/48/27/719294827.db2.gz AGXKFYMGJWCBEE-NSHGMRRFSA-N 0 0 478.952 4.751 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646821 719294850 /nfs/dbraw/zinc/29/48/50/719294850.db2.gz BXTZZUKSIFOFTQ-FUDKSRODSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164653751 719295063 /nfs/dbraw/zinc/29/50/63/719295063.db2.gz QBHFBDALMAGRRP-XJUOHMSHSA-N 0 0 472.923 4.690 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c(Cl)nn2)c1 ZINC001164649795 719295770 /nfs/dbraw/zinc/29/57/70/719295770.db2.gz HJKXYHHDJCWTFJ-VJBWXMMDSA-N 0 0 486.950 4.998 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c(Cl)nn1 ZINC001164652360 719295815 /nfs/dbraw/zinc/29/58/15/719295815.db2.gz MWQUHGOMSRGTMT-BDTNDASRSA-N 0 0 490.913 4.829 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164655402 719296077 /nfs/dbraw/zinc/29/60/77/719296077.db2.gz UDBCPQTUJILTNC-XJUOHMSHSA-N 0 0 463.956 4.897 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3O2)n1 ZINC001164656732 719299332 /nfs/dbraw/zinc/29/93/32/719299332.db2.gz YKSIFOIQFZBZIF-WKPIXPDZSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@@H]3O2)n1 ZINC001164656721 719299361 /nfs/dbraw/zinc/29/93/61/719299361.db2.gz YJVWCNCGMSGMEH-LKTVYLICSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)Oc4ccccc4-c4cccc(Cl)n4)C[C@H]3O2)n1 ZINC001164656912 719301123 /nfs/dbraw/zinc/30/11/23/719301123.db2.gz ZHEJNTSAPDKBFE-ZOCIIQOWSA-N 0 0 462.884 4.875 20 0 JJADRN Cc1noc([C@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164655733 719301815 /nfs/dbraw/zinc/30/18/15/719301815.db2.gz VINQNIAFHQBSCT-LZQZEXGQSA-N 0 0 461.900 4.698 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(-c5ccccc5F)nnc4Cl)C[C@H]3O2)n1 ZINC001164648848 719301928 /nfs/dbraw/zinc/30/19/28/719301928.db2.gz GFPVNSUPQNUOFG-UYHISHBKSA-N 0 0 465.863 4.529 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C[C@@H]2CCCO[C@H]12 ZINC001164650900 719303205 /nfs/dbraw/zinc/30/32/05/719303205.db2.gz KCLXBKGGFXIMQL-NOXFTYBFSA-N 0 0 461.940 4.553 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C[C@H]2CCCO[C@@H]21 ZINC001164651241 719305403 /nfs/dbraw/zinc/30/54/03/719305403.db2.gz LIDLAVGJPXJCJZ-QPJICYPMSA-N 0 0 479.930 4.692 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)cnc2Cl)c1 ZINC001164649616 719306048 /nfs/dbraw/zinc/30/60/48/719306048.db2.gz VETNAZUXBRMBLW-QTGUNEKASA-N 0 0 475.967 4.862 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)cnc2Cl)c1 ZINC001164649618 719306091 /nfs/dbraw/zinc/30/60/91/719306091.db2.gz VETNAZUXBRMBLW-ZEYPLWLESA-N 0 0 475.967 4.862 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C[C@H]2CCCO[C@H]21 ZINC001164650139 719306107 /nfs/dbraw/zinc/30/61/07/719306107.db2.gz ZNDLCLJJYNAIJZ-NQSCKRDGSA-N 0 0 467.988 4.934 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164652214 719315504 /nfs/dbraw/zinc/31/55/04/719315504.db2.gz POFLDNDRPBTIJZ-UHFFFAOYSA-N 0 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ZINC001164844955 720746045 /nfs/dbraw/zinc/74/60/45/720746045.db2.gz VTCZWNPEMCGJCL-UHFFFAOYSA-N 0 0 499.974 4.820 20 0 JJADRN CC[C@@H]1N(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CCC[C@@]12CCC(=O)N2 ZINC001164849551 720754452 /nfs/dbraw/zinc/75/44/52/720754452.db2.gz UBNBAWBOSRBKEF-FDDCHVKYSA-N 0 0 477.939 4.761 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)nc12 ZINC001164851212 720770849 /nfs/dbraw/zinc/77/08/49/720770849.db2.gz YXXSPJHKOFOQIQ-IPELMVKDSA-N 0 0 478.902 4.705 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849563 720775162 /nfs/dbraw/zinc/77/51/62/720775162.db2.gz UBQZHLIPHAZLII-UXPWSPDFSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164848789 720775194 /nfs/dbraw/zinc/77/51/94/720775194.db2.gz QPSDQAQBESULBA-TYPHKJRUSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848788 720775699 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/nfs/dbraw/zinc/81/46/80/720814680.db2.gz NPBHIGQWBWIRAO-LEWJYISDSA-N 0 0 497.977 4.955 20 0 JJADRN O=C([C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1)N1CCCO1 ZINC001164848310 720823386 /nfs/dbraw/zinc/82/33/86/720823386.db2.gz MCFNFXKATBAPOI-AABGKKOBSA-N 0 0 469.960 4.618 20 0 JJADRN O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1)N1CCCO1 ZINC001164846016 720823763 /nfs/dbraw/zinc/82/37/63/720823763.db2.gz CNQMVMIQAWGQSZ-UFYCRDLUSA-N 0 0 498.357 4.891 20 0 JJADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nc3C(=O)OC)cc1)C2 ZINC001164846711 720827081 /nfs/dbraw/zinc/82/70/81/720827081.db2.gz GCYGNSZRLRSQEW-XXBNENTESA-N 0 0 480.939 4.755 20 0 JJADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164852132 720828651 /nfs/dbraw/zinc/82/86/51/720828651.db2.gz ZFWVPGYTYCEVLD-IFMALSPDSA-N 0 0 452.929 4.881 20 0 JJADRN Cc1nc([C@@H]2COCCN2[C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)cs1 ZINC001164750206 720863577 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JJADRN Fc1ccccc1-c1cc(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756354 720984898 /nfs/dbraw/zinc/98/48/98/720984898.db2.gz GYVRAZJBIJYDAH-MRXNPFEDSA-N 0 0 477.918 4.741 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164755598 720985209 /nfs/dbraw/zinc/98/52/09/720985209.db2.gz AZTFPJROZJNOBU-QGZVFWFLSA-N 0 0 489.954 4.610 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)nc(Cl)c2c1 ZINC001164765436 721028330 /nfs/dbraw/zinc/02/83/30/721028330.db2.gz PJVLGTUVQLESDI-HTAPYJJXSA-N 0 0 478.902 4.707 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1=O ZINC001164860979 721028915 /nfs/dbraw/zinc/02/89/15/721028915.db2.gz MAEWLEOFFNTHMP-VAMGGRTRSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164763763 721029353 /nfs/dbraw/zinc/02/93/53/721029353.db2.gz KWYSXFHGIZTETN-HTAPYJJXSA-N 0 0 460.912 4.568 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767601 721031379 /nfs/dbraw/zinc/03/13/79/721031379.db2.gz SALSSULXVKXNHX-WXVAWEFUSA-N 0 0 495.693 4.890 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]2C1=O ZINC001164863629 721031844 /nfs/dbraw/zinc/03/18/44/721031844.db2.gz UMNYSACRYBNNHC-RLLQIKCJSA-N 0 0 467.988 4.505 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164861330 721032736 /nfs/dbraw/zinc/03/27/36/721032736.db2.gz GSRBAZPNXSHRKW-UHFFFAOYSA-N 0 0 498.752 4.639 20 0 JJADRN Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164767691 721040356 /nfs/dbraw/zinc/04/03/56/721040356.db2.gz SIMURMDTTHNMQK-PMACEKPBSA-N 0 0 463.960 4.555 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001164774808 721051312 /nfs/dbraw/zinc/05/13/12/721051312.db2.gz YMCKSTXEZHWRAA-ROUUACIJSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001164773699 721055956 /nfs/dbraw/zinc/05/59/56/721055956.db2.gz SWAMVRUMEYXYHU-PKTZIBPZSA-N 0 0 498.656 4.503 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)cc1 ZINC001164764147 721056535 /nfs/dbraw/zinc/05/65/35/721056535.db2.gz BNCDKTBVCLUHOV-FGZHOGPDSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)n1 ZINC001164764908 721056702 /nfs/dbraw/zinc/05/67/02/721056702.db2.gz BYEORHBOMOCEGI-LEWJYISDSA-N 0 0 487.913 4.564 20 0 JJADRN O=C(c1cccnc1N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164774192 721059811 /nfs/dbraw/zinc/05/98/11/721059811.db2.gz VIROEAHYJNKLBY-DLFZDVPBSA-N 0 0 496.655 4.583 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)c2c1C ZINC001164875007 721251219 /nfs/dbraw/zinc/25/12/19/721251219.db2.gz LGVOSHWUWJVIMY-VSKRKVRLSA-N 0 0 479.650 4.504 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164760470 721252990 /nfs/dbraw/zinc/25/29/90/721252990.db2.gz FAVYMWWFQNWCJP-MORSLUCNSA-N 0 0 496.341 4.695 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)O1)c1ccccc1 ZINC001164878154 721254496 /nfs/dbraw/zinc/25/44/96/721254496.db2.gz SRWPZVDZVOPBTF-KOSHJBKYSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)O1)c1ccccc1 ZINC001164878303 721255478 /nfs/dbraw/zinc/25/54/78/721255478.db2.gz UKTVYIRIDQASFB-IERDGZPVSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)O1)c1ccccc1 ZINC001164878095 721256075 /nfs/dbraw/zinc/25/60/75/721256075.db2.gz SCWURRMQXHWHHF-CYFREDJKSA-N 0 0 486.950 4.776 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1Cl ZINC001164879340 721257043 /nfs/dbraw/zinc/25/70/43/721257043.db2.gz YBIGVHXRQYBPDO-VGSWGCGISA-N 0 0 481.996 4.950 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)O1)c1ccccc1 ZINC001164878121 721257182 /nfs/dbraw/zinc/25/71/82/721257182.db2.gz SIQZQUMEMXWXNL-HXOBKFHXSA-N 0 0 474.939 4.709 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)O1)c1ccccc1 ZINC001164878730 721257658 /nfs/dbraw/zinc/25/76/58/721257658.db2.gz UZIHPJAANSBNIK-FDDCHVKYSA-N 0 0 474.939 4.709 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)O1)c1ccccc1 ZINC001164879273 721257712 /nfs/dbraw/zinc/25/77/12/721257712.db2.gz XPRKZDXGKNAOQK-MHECFPHRSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)O1)c1ccccc1 ZINC001164876144 721259503 /nfs/dbraw/zinc/25/95/03/721259503.db2.gz OFUUBZMSJCOLNL-HOYKHHGWSA-N 0 0 475.967 4.717 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769416 721271066 /nfs/dbraw/zinc/27/10/66/721271066.db2.gz YKFGRRNEDGQCBA-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767180 721274268 /nfs/dbraw/zinc/27/42/68/721274268.db2.gz HMQBPWMTIMPLGE-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164767074 721276460 /nfs/dbraw/zinc/27/64/60/721276460.db2.gz FJYZBQKVQKFNNV-SFHVURJKSA-N 0 0 496.949 4.957 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164769074 721277208 /nfs/dbraw/zinc/27/72/08/721277208.db2.gz OCYLZJLPVYWHQS-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]2C1 ZINC001164873861 721297755 /nfs/dbraw/zinc/29/77/55/721297755.db2.gz CCNVULDNYOCAFP-QFBILLFUSA-N 0 0 477.964 4.862 20 0 JJADRN Cc1cccc(N2CCC[C@@]3(C2)CN(c2nc(Cl)nc4c2CN(Cc2ccccc2)C4)CCO3)c1 ZINC001164775495 721304558 /nfs/dbraw/zinc/30/45/58/721304558.db2.gz XXKMBGKRPYTXKG-MUUNZHRXSA-N 0 0 490.051 4.830 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCC5(CCC(=O)N5CC5CC5)CC4)c23)C1 ZINC001164776687 721306873 /nfs/dbraw/zinc/30/68/73/721306873.db2.gz ORUSXYUKVAEXQS-IBGZPJMESA-N 0 0 493.721 4.783 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)CC2)N1CC1CC1 ZINC001164775153 721307393 /nfs/dbraw/zinc/30/73/93/721307393.db2.gz AEYGQQAHDOQBAO-UHFFFAOYSA-N 0 0 464.919 4.852 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881981 721311532 /nfs/dbraw/zinc/31/15/32/721311532.db2.gz YWJJZCLOVVNADB-MORSLUCNSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880850 721312222 /nfs/dbraw/zinc/31/22/22/721312222.db2.gz SSPPZMQWUCEBRN-TYCQWZJGSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164876925 721314632 /nfs/dbraw/zinc/31/46/32/721314632.db2.gz HIIFXIOAGNJBCA-MAODMQOUSA-N 0 0 472.923 4.800 20 0 JJADRN Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C[C@@H]32)nn1 ZINC001164775890 721314731 /nfs/dbraw/zinc/31/47/31/721314731.db2.gz KYFWBFLYEFRIEA-PMACEKPBSA-N 0 0 492.357 4.793 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)n1 ZINC001164776736 721315526 /nfs/dbraw/zinc/31/55/26/721315526.db2.gz PEXSEHMEEZUSCO-UHFFFAOYSA-N 0 0 451.905 4.598 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164879311 721315915 /nfs/dbraw/zinc/31/59/15/721315915.db2.gz RLXYVSJLGFPZDV-MOXGXCLJSA-N 0 0 461.896 4.998 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c2c1C ZINC001164879380 721318520 /nfs/dbraw/zinc/31/85/20/721318520.db2.gz SJNXAKHIZGGAKT-QFIPXVFZSA-N 0 0 489.689 4.794 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164880025 721319151 /nfs/dbraw/zinc/31/91/51/721319151.db2.gz VMVBFBSSEOJQRK-NRFANRHFSA-N 0 0 468.935 4.842 20 0 JJADRN CCN1CC[C@@]2(CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)C[C@H]2C)C1=O ZINC001164776329 721319595 /nfs/dbraw/zinc/31/95/95/721319595.db2.gz DFBHKJBFZCYCLK-CMJOXMDJSA-N 0 0 473.955 4.528 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164776655 721327221 /nfs/dbraw/zinc/32/72/21/721327221.db2.gz HLQVVNHIIIVGSK-ZDUSSCGKSA-N 0 0 459.921 4.743 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2)N1CC=CC1 ZINC001164776068 721328025 /nfs/dbraw/zinc/32/80/25/721328025.db2.gz CKFXEWSIDGXOJL-UHFFFAOYSA-N 0 0 485.676 4.600 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c(Cl)n1 ZINC001164776995 721328093 /nfs/dbraw/zinc/32/80/93/721328093.db2.gz JQMAKDMNENRCFN-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2)N1CC=CC1 ZINC001164777060 721328394 /nfs/dbraw/zinc/32/83/94/721328394.db2.gz LPORMRRGRPKWLD-UHFFFAOYSA-N 0 0 494.030 4.840 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001164778374 721328783 /nfs/dbraw/zinc/32/87/83/721328783.db2.gz UVBHVXXODGNNDS-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)ncc3Cl)C2)cs1 ZINC001164877503 721330571 /nfs/dbraw/zinc/33/05/71/721330571.db2.gz UQPHADJOENHLJM-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)cs1 ZINC001164874715 721331748 /nfs/dbraw/zinc/33/17/48/721331748.db2.gz ILYAEGBOZZGYJH-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN CSc1ccc(C(F)(F)N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)nc1Cl ZINC001164874751 721331879 /nfs/dbraw/zinc/33/18/79/721331879.db2.gz IULMOSXDTVHPTO-CQSZACIVSA-N 0 0 486.013 4.816 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777406 721335300 /nfs/dbraw/zinc/33/53/00/721335300.db2.gz MZARKFMMIDTXRD-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]2C1 ZINC001164881816 721353233 /nfs/dbraw/zinc/35/32/33/721353233.db2.gz BHOLFNKUQCGGAU-PXNSSMCTSA-N 0 0 489.975 4.986 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164886947 721353311 /nfs/dbraw/zinc/35/33/11/721353311.db2.gz UIXQITZZLYEUHG-NZQKXSOJSA-N 0 0 498.961 4.628 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)N1c1ccsc1 ZINC001164881265 721356386 /nfs/dbraw/zinc/35/63/86/721356386.db2.gz ARQWWLLDDKBCQY-GJZGRUSLSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)N1c1ccsc1 ZINC001164885738 721356432 /nfs/dbraw/zinc/35/64/32/721356432.db2.gz YSQZLVXDQQYKBW-LSDHHAIUSA-N 0 0 455.317 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccccc4nc3Cl)C2)C1 ZINC001164786148 721357921 /nfs/dbraw/zinc/35/79/21/721357921.db2.gz WOYWEUCUDHBYRX-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)N1c1ccsc1 ZINC001164881825 721360046 /nfs/dbraw/zinc/36/00/46/721360046.db2.gz FTSORNTYSJEQSB-ROUUACIJSA-N 0 0 464.900 4.927 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)N1c1ccsc1 ZINC001164881887 721360902 /nfs/dbraw/zinc/36/09/02/721360902.db2.gz GSPHTWGAORBJRK-ROUUACIJSA-N 0 0 464.900 4.927 20 0 JJADRN CCCCOc1cnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c(Cl)c1 ZINC001164780221 721362896 /nfs/dbraw/zinc/36/28/96/721362896.db2.gz DHWIAAKPVOFWLA-DEOSSOPVSA-N 0 0 463.022 4.638 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787064 721368661 /nfs/dbraw/zinc/36/86/61/721368661.db2.gz XZQPSLSZZQFXFI-VWLOTQADSA-N 0 0 485.991 4.660 20 0 JJADRN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164786964 721372953 /nfs/dbraw/zinc/37/29/53/721372953.db2.gz VYBQKKWOKAUZIW-GYCJOSAFSA-N 0 0 462.038 4.676 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780405 721375136 /nfs/dbraw/zinc/37/51/36/721375136.db2.gz GXYCXIQTQFJAQR-SANMLTNESA-N 0 0 498.027 4.955 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164781382 721382747 /nfs/dbraw/zinc/38/27/47/721382747.db2.gz JLCJFWALDVFOMG-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782559 721387493 /nfs/dbraw/zinc/38/74/93/721387493.db2.gz MIBTWILLYWWPIR-MBSDFSHPSA-N 0 0 463.956 4.756 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164787602 721403826 /nfs/dbraw/zinc/40/38/26/721403826.db2.gz QAUMNTBLLMBUJF-VXGBXAGGSA-N 0 0 456.349 4.506 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781159 721412633 /nfs/dbraw/zinc/41/26/33/721412633.db2.gz CEYMGXGHFCOSRU-RYUDHWBXSA-N 0 0 456.349 4.506 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781160 721412845 /nfs/dbraw/zinc/41/28/45/721412845.db2.gz CEYMGXGHFCOSRU-TXEJJXNPSA-N 0 0 456.349 4.506 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164783355 721431142 /nfs/dbraw/zinc/43/11/42/721431142.db2.gz IKNQVLQDJOLTFK-HDICACEKSA-N 0 0 476.980 4.884 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164785688 721440997 /nfs/dbraw/zinc/44/09/97/721440997.db2.gz SLSZKDPNXBGWHL-JOCHJYFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164786410 721441402 /nfs/dbraw/zinc/44/14/02/721441402.db2.gz UZCSIUJQNRMUJO-FQEVSTJZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)nc(Cl)n2)CCO3)cs1 ZINC001164783285 721442818 /nfs/dbraw/zinc/44/28/18/721442818.db2.gz OGSBBQJITXJGNK-UGSOOPFHSA-N 0 0 479.380 4.686 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3csc(C)n3)C2)c(Cl)n1 ZINC001164787255 721443498 /nfs/dbraw/zinc/44/34/98/721443498.db2.gz WQCXEXKDGADATO-YWZLYKJASA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)Oc2cccnc2Cl)CCO3)cs1 ZINC001164786540 721443533 /nfs/dbraw/zinc/44/35/33/721443533.db2.gz VJRFXUZBFUJDLW-BEFAXECRSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)COc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784333 721443783 /nfs/dbraw/zinc/44/37/83/721443783.db2.gz PKPYVLFPFWMGBZ-JXFKEZNVSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)c(F)c2)CCO3)cs1 ZINC001164781916 721443792 /nfs/dbraw/zinc/44/37/92/721443792.db2.gz HIQNAZAZNQUWGA-LIRRHRJNSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164784135 721444658 /nfs/dbraw/zinc/44/46/58/721444658.db2.gz OYZOSPOELIPRQZ-IFXJQAMLSA-N 0 0 493.407 4.772 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)C2=O)cs1 ZINC001164885546 721460768 /nfs/dbraw/zinc/46/07/68/721460768.db2.gz FINIQRVOSBISMR-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)C2=O)cs1 ZINC001164891160 721460904 /nfs/dbraw/zinc/46/09/04/721460904.db2.gz UHIDTTKUMXJKJK-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)C2=O)cs1 ZINC001164885416 721460948 /nfs/dbraw/zinc/46/09/48/721460948.db2.gz DQLJAOZFNLNQJL-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)C2=O)cs1 ZINC001164889078 721462048 /nfs/dbraw/zinc/46/20/48/721462048.db2.gz NIPBCDFCSREGCM-NRFANRHFSA-N 0 0 493.967 4.719 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C3)C2=O)cs1 ZINC001164889044 721462125 /nfs/dbraw/zinc/46/21/25/721462125.db2.gz HETIPVZEWATEDC-GOSISDBHSA-N 0 0 477.364 4.597 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)C2=O)cs1 ZINC001164893217 721462382 /nfs/dbraw/zinc/46/23/82/721462382.db2.gz RRRBUGKIJBHPOE-FQEVSTJZSA-N 0 0 466.985 4.639 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C3)C2=O)cs1 ZINC001164887004 721462452 /nfs/dbraw/zinc/46/24/52/721462452.db2.gz AWNNJLHPUDNJKZ-NRFANRHFSA-N 0 0 466.985 4.553 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@@H]21 ZINC001164895006 721468183 /nfs/dbraw/zinc/46/81/83/721468183.db2.gz YVFOYSDOLHPEEV-BEFAXECRSA-N 0 0 452.908 4.564 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC[C@H]21 ZINC001164894748 721468200 /nfs/dbraw/zinc/46/82/00/721468200.db2.gz YJGNHLLKNAKQNB-DNVCBOLYSA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164886962 721469487 /nfs/dbraw/zinc/46/94/87/721469487.db2.gz AAWVDQBJDRZLPG-KRWDZBQOSA-N 0 0 469.923 4.878 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164892509 721474953 /nfs/dbraw/zinc/47/49/53/721474953.db2.gz GFUQMAKQFWLHMI-HSZRJFAPSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164896747 721475689 /nfs/dbraw/zinc/47/56/89/721475689.db2.gz XVLZJYKCWAFVEF-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001164891440 721475700 /nfs/dbraw/zinc/47/57/00/721475700.db2.gz CGYFYFCZPNUQSY-FQEVSTJZSA-N 0 0 452.958 4.558 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164896749 721475731 /nfs/dbraw/zinc/47/57/31/721475731.db2.gz XVLZJYKCWAFVEF-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)cnc2Cl)c1 ZINC001164792637 721484215 /nfs/dbraw/zinc/48/42/15/721484215.db2.gz ODLPCZDEHLVBRG-NNWRFLSQSA-N 0 0 491.966 4.651 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)cc1 ZINC001164896679 721487761 /nfs/dbraw/zinc/48/77/61/721487761.db2.gz QDXHJOKGSNLYNG-INIZCTEOSA-N 0 0 472.902 4.816 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c(Cl)nn1 ZINC001164792511 721488604 /nfs/dbraw/zinc/48/86/04/721488604.db2.gz JWTBQAVXTXXPBY-PEBXRYMYSA-N 0 0 494.876 4.547 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164793536 721488836 /nfs/dbraw/zinc/48/88/36/721488836.db2.gz SJEINHGPGJDOIH-UZUQRXQVSA-N 0 0 490.913 4.716 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164897654 721489606 /nfs/dbraw/zinc/48/96/06/721489606.db2.gz DONDDUZNCPENQV-ZDUSSCGKSA-N 0 0 485.362 4.526 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164898796 721491174 /nfs/dbraw/zinc/49/11/74/721491174.db2.gz IFLRDJROZZKVCS-HNNXBMFYSA-N 0 0 465.928 4.584 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccc(C)cc21 ZINC001164900419 721491987 /nfs/dbraw/zinc/49/19/87/721491987.db2.gz PLOVIBGUQIULNE-SFHVURJKSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164900250 721492608 /nfs/dbraw/zinc/49/26/08/721492608.db2.gz NUZMIVPZAYQNBZ-GOSISDBHSA-N 0 0 463.960 4.512 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164899089 721500778 /nfs/dbraw/zinc/50/07/78/721500778.db2.gz WPNJSXGIKBDJAW-KRWDZBQOSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164898693 721502629 /nfs/dbraw/zinc/50/26/29/721502629.db2.gz TYTCLIIRZFCVMD-HXUWFJFHSA-N 0 0 470.004 4.697 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164895640 721502679 /nfs/dbraw/zinc/50/26/79/721502679.db2.gz DLZXVPYKFIDGNI-FQEVSTJZSA-N 0 0 496.961 4.629 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164899621 721504255 /nfs/dbraw/zinc/50/42/55/721504255.db2.gz ZNXWWCNUKQGXBZ-OAQYLSRUSA-N 0 0 484.934 4.864 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164898006 721505146 /nfs/dbraw/zinc/50/51/46/721505146.db2.gz PKKHALRBPOFFEF-LJQANCHMSA-N 0 0 484.934 4.864 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)c(Cl)nn2)cc1 ZINC001164897824 721505520 /nfs/dbraw/zinc/50/55/20/721505520.db2.gz OAIQCBQQNVDRPS-IBGZPJMESA-N 0 0 483.950 4.688 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC2)N1Cc1ccncc1 ZINC001164901782 721507234 /nfs/dbraw/zinc/50/72/34/721507234.db2.gz YQAFXOVSPPJWBY-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164801383 721538698 /nfs/dbraw/zinc/53/86/98/721538698.db2.gz FDESGBHAOIPXEO-XUVXKRRUSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164807172 721540985 /nfs/dbraw/zinc/54/09/85/721540985.db2.gz PWGDOIAASNJTGR-WOIUINJBSA-N 0 0 463.632 4.683 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164805154 721541425 /nfs/dbraw/zinc/54/14/25/721541425.db2.gz KZMIOEDNYQNHMN-NXCFDTQHSA-N 0 0 487.554 4.838 20 0 JJADRN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809385 721565830 /nfs/dbraw/zinc/56/58/30/721565830.db2.gz WVCZUNBXPIKQJJ-AXHZCLLHSA-N 0 0 473.404 4.813 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164805675 721566528 /nfs/dbraw/zinc/56/65/28/721566528.db2.gz OKQIAZAAMOXMGE-BDTNDASRSA-N 0 0 458.940 4.696 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164903226 721577449 /nfs/dbraw/zinc/57/74/49/721577449.db2.gz OUVQVOKAJHFWJV-SFHVURJKSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164902768 721577621 /nfs/dbraw/zinc/57/76/21/721577621.db2.gz MNTJJDXWHYBBHV-KRWDZBQOSA-N 0 0 475.367 4.697 20 0 JJADRN CSCc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164810180 721578309 /nfs/dbraw/zinc/57/83/09/721578309.db2.gz UXVFAQBKOHMWMZ-NMMYMHLASA-N 0 0 495.718 4.696 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccc2c(Cl)ncnc21 ZINC001164902512 721578399 /nfs/dbraw/zinc/57/83/99/721578399.db2.gz FRYAKBFTYYLGJF-FQEVSTJZSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001164905029 721578766 /nfs/dbraw/zinc/57/87/66/721578766.db2.gz RRSZLYAULHPAAX-FQEVSTJZSA-N 0 0 480.987 4.618 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Oc1ccc(Cl)nc1Cl ZINC001164904531 721578812 /nfs/dbraw/zinc/57/88/12/721578812.db2.gz RCWHQINQMUJFPQ-INIZCTEOSA-N 0 0 491.366 4.577 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164901813 721579640 /nfs/dbraw/zinc/57/96/40/721579640.db2.gz ATYSZNXXAWNGLL-QHCPKHFHSA-N 0 0 471.939 4.613 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@@H]12 ZINC001164805225 721580349 /nfs/dbraw/zinc/58/03/49/721580349.db2.gz LAVBXKMLYLPNIO-WMTXJRDZSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@@H]12 ZINC001164810956 721587603 /nfs/dbraw/zinc/58/76/03/721587603.db2.gz WTIYVUMVUGWAMY-JFIYKMOQSA-N 0 0 476.877 4.562 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)Oc2ccccc21 ZINC001164804831 721593256 /nfs/dbraw/zinc/59/32/56/721593256.db2.gz ZCWRLUGWSJWPDX-HNNXBMFYSA-N 0 0 497.011 4.784 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)Oc2ccccc21 ZINC001164798094 721593268 /nfs/dbraw/zinc/59/32/68/721593268.db2.gz IYAWTFYCNZJHHQ-INIZCTEOSA-N 0 0 478.971 4.682 20 0 JJADRN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164799622 721599924 /nfs/dbraw/zinc/59/99/24/721599924.db2.gz IYRZPKYSRVRJMV-UHFFFAOYSA-N 0 0 470.307 4.505 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164803464 721601215 /nfs/dbraw/zinc/60/12/15/721601215.db2.gz UUZXFKRCZZFFGY-JTSKRJEESA-N 0 0 459.928 4.750 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164803470 721601252 /nfs/dbraw/zinc/60/12/52/721601252.db2.gz UUZXFKRCZZFFGY-VGSWGCGISA-N 0 0 459.928 4.750 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c1 ZINC001164798328 721601516 /nfs/dbraw/zinc/60/15/16/721601516.db2.gz DSRVDJPFTCHIKG-AVRDEDQJSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C3)c1 ZINC001164804400 721601663 /nfs/dbraw/zinc/60/16/63/721601663.db2.gz YJVOGSQGBBVIPD-PGRDOPGGSA-N 0 0 480.943 4.899 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164798859 721603627 /nfs/dbraw/zinc/60/36/27/721603627.db2.gz JIRZVWWFQCCVGH-SFHVURJKSA-N 0 0 474.939 4.925 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c(Cl)n1 ZINC001164797559 721604006 /nfs/dbraw/zinc/60/40/06/721604006.db2.gz BWNFALVXCKFBRO-QGZVFWFLSA-N 0 0 495.954 4.554 20 0 JJADRN FC(F)(N1CCC2(CCOC[C@H]2COc2cccnc2)CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164797528 721604222 /nfs/dbraw/zinc/60/42/22/721604222.db2.gz BHRMOUYCVZEREB-IBGZPJMESA-N 0 0 463.956 4.952 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164804754 721604226 /nfs/dbraw/zinc/60/42/26/721604226.db2.gz YWHDBHPLXHENOV-KRWDZBQOSA-N 0 0 463.956 4.866 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164798750 721605481 /nfs/dbraw/zinc/60/54/81/721605481.db2.gz HUTQVVZSRXLHOD-LJQANCHMSA-N 0 0 473.282 4.826 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009032 721691649 /nfs/dbraw/zinc/69/16/49/721691649.db2.gz NHXKWHINLGNKAR-NFHUAXAMSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009168 721692362 /nfs/dbraw/zinc/69/23/62/721692362.db2.gz NVCGPEQGWSFZSB-XLHILCRZSA-N 0 0 476.955 4.955 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc31)C2 ZINC001165009251 721712880 /nfs/dbraw/zinc/71/28/80/721712880.db2.gz RRDLBNMYLRGJTJ-UHFFFAOYSA-N 0 0 485.680 4.940 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165009875 721726719 /nfs/dbraw/zinc/72/67/19/721726719.db2.gz ZWVPLEJGXMUUOS-HHHXNRCGSA-N 0 0 481.710 4.783 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909858 721739286 /nfs/dbraw/zinc/73/92/86/721739286.db2.gz DYHGOMYWWXMYEE-VGOFRKELSA-N 0 0 490.341 4.750 20 0 JJADRN COc1cc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc(Cl)n1 ZINC001164910503 721740164 /nfs/dbraw/zinc/74/01/64/721740164.db2.gz FMWNOTDQMPNYRX-HYBUGGRVSA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1nc(Cl)ccc1F)C[C@@H]2c1ccccc1 ZINC001164912668 721741143 /nfs/dbraw/zinc/74/11/43/721741143.db2.gz PERMOSNBKKWORH-WZONZLPQSA-N 0 0 472.898 4.841 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164913093 721741960 /nfs/dbraw/zinc/74/19/60/721741960.db2.gz SLBUDCLTTNHNSZ-YADARESESA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C[C@H]2c1ccccc1 ZINC001164913153 721742304 /nfs/dbraw/zinc/74/23/04/721742304.db2.gz UKRCWRVGKMLYMI-SQJMNOBHSA-N 0 0 495.961 4.974 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164908428 721749620 /nfs/dbraw/zinc/74/96/20/721749620.db2.gz IWKNBDFECFBROH-UHFFFAOYSA-N 0 0 454.308 4.511 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1C1SCCCS1)C2 ZINC001164908402 721751026 /nfs/dbraw/zinc/75/10/26/721751026.db2.gz HXALLMLCOIHYIW-UHFFFAOYSA-N 0 0 453.637 4.528 20 0 JJADRN Cc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164911203 721765040 /nfs/dbraw/zinc/76/50/40/721765040.db2.gz NONDWGYYGXTWNK-UHFFFAOYSA-N 0 0 460.969 4.683 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001165014655 721769803 /nfs/dbraw/zinc/76/98/03/721769803.db2.gz DNYHZYBCYYXCPL-LRDDRELGSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)[C@@H]2C1 ZINC001165014116 721770639 /nfs/dbraw/zinc/77/06/39/721770639.db2.gz AGCZAWXTFTYAGV-MLGOLLRUSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)[C@@H]2C1 ZINC001165015316 721771141 /nfs/dbraw/zinc/77/11/41/721771141.db2.gz KMUGPNIGCPRAMS-IAGOWNOFSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001165020403 721771731 /nfs/dbraw/zinc/77/17/31/721771731.db2.gz XWNMKNOJCXVGCG-GWCFXTLKSA-N 0 0 450.700 4.921 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)[C@@H]2C1 ZINC001165019682 721772572 /nfs/dbraw/zinc/77/25/72/721772572.db2.gz XBLJDFWEZLBREV-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165017274 721780924 /nfs/dbraw/zinc/78/09/24/721780924.db2.gz GDNCNQRVCQUIIW-LNLFQRSKSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001165022905 721784993 /nfs/dbraw/zinc/78/49/93/721784993.db2.gz SENKANGWMSHUAI-DEOSSOPVSA-N 0 0 499.949 4.672 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001165020171 721785222 /nfs/dbraw/zinc/78/52/22/721785222.db2.gz NCMVCNSOSJLPKE-HSZRJFAPSA-N 0 0 487.913 4.900 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@H]2CN1c1cccnc1 ZINC001165018897 721793396 /nfs/dbraw/zinc/79/33/96/721793396.db2.gz ISEOWSRRSYDHQT-OXJNMPFZSA-N 0 0 491.929 4.989 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001165019224 721793738 /nfs/dbraw/zinc/79/37/38/721793738.db2.gz KAHZFFKXCJRTNB-AZUAARDMSA-N 0 0 483.950 4.960 20 0 JJADRN c1cncc(CN2CCOC[C@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914643 721798262 /nfs/dbraw/zinc/79/82/62/721798262.db2.gz OSQWJKZINSMPQQ-SSEXGKCCSA-N 0 0 499.659 4.694 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164914569 721802283 /nfs/dbraw/zinc/80/22/83/721802283.db2.gz DGOPENHXJSDOIN-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916147 721806797 /nfs/dbraw/zinc/80/67/97/721806797.db2.gz NZCOWYIRFUXMDI-SJCJKPOMSA-N 0 0 450.700 4.799 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915067 721807003 /nfs/dbraw/zinc/80/70/03/721807003.db2.gz HQFFMNYDAFESCL-PGRDOPGGSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917642 721807579 /nfs/dbraw/zinc/80/75/79/721807579.db2.gz WNPVVJZQIZTQBD-DENIHFKCSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917371 721807620 /nfs/dbraw/zinc/80/76/20/721807620.db2.gz VTNPWQGRBNNPNJ-SIKLNZKXSA-N 0 0 458.896 4.554 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919181 721807934 /nfs/dbraw/zinc/80/79/34/721807934.db2.gz WEPVYTYYCAVKEC-CVDCTZTESA-N 0 0 488.922 4.562 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164916334 721808319 /nfs/dbraw/zinc/80/83/19/721808319.db2.gz GZEYMUKOKUXIGQ-PGRDOPGGSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915480 721808627 /nfs/dbraw/zinc/80/86/27/721808627.db2.gz BCEPKLIZFCUZGQ-NORZTCDRSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917249 721808648 /nfs/dbraw/zinc/80/86/48/721808648.db2.gz MBJDRPBASXPIOJ-DIOULYMOSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164918504 721809027 /nfs/dbraw/zinc/80/90/27/721809027.db2.gz QTCXHTDOABECSX-DJSGYFEHSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164915520 721809074 /nfs/dbraw/zinc/80/90/74/721809074.db2.gz BLQIMIXCOZBFJJ-PZSREKOKSA-N 0 0 450.338 4.590 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1Cl ZINC001164918592 721810192 /nfs/dbraw/zinc/81/01/92/721810192.db2.gz RTBHVFGJGALWPP-PBFPGSCMSA-N 0 0 461.987 4.659 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001164919471 721810945 /nfs/dbraw/zinc/81/09/45/721810945.db2.gz YBWMLCCARGEPGU-ISTRZQFTSA-N 0 0 461.987 4.659 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917546 721811149 /nfs/dbraw/zinc/81/11/49/721811149.db2.gz MZVSJMHDQVWDRI-ACWOFJMJSA-N 0 0 482.940 4.592 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915854 721811188 /nfs/dbraw/zinc/81/11/88/721811188.db2.gz CTETZHROTSURIM-LKUPVBHCSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917089 721811376 /nfs/dbraw/zinc/81/13/76/721811376.db2.gz KGOUXIZWOSCORZ-OZOXKJRCSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917105 721811744 /nfs/dbraw/zinc/81/17/44/721811744.db2.gz KQQMYNQSPXNRFN-DKSSEZFCSA-N 0 0 455.958 4.814 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164918750 721818792 /nfs/dbraw/zinc/81/87/92/721818792.db2.gz TYCQVKXPNZTCTB-UHFFFAOYSA-N 0 0 465.026 4.958 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC001164917598 721818941 /nfs/dbraw/zinc/81/89/41/721818941.db2.gz GMKYNCPGKIVVGK-UHFFFAOYSA-N 0 0 485.661 4.578 20 0 JJADRN Cc1nc(CN2CCOC[C@]3(CN(c4cc(-c5ccccc5)c5ccccc5n4)CCO3)C2)cs1 ZINC001164920079 721831816 /nfs/dbraw/zinc/83/18/16/721831816.db2.gz AADBVIACJVZVSY-MUUNZHRXSA-N 0 0 486.641 4.775 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001165023861 721833176 /nfs/dbraw/zinc/83/31/76/721833176.db2.gz XDYWVPXAPYYBKF-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)Nc3c4cccc3F)c(Cl)nn2)c1 ZINC001165022404 721833323 /nfs/dbraw/zinc/83/33/23/721833323.db2.gz NGXUQDHQTREXLA-UHFFFAOYSA-N 0 0 488.897 4.980 20 0 JJADRN CCOC(=O)C1(F)CCN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CC1 ZINC001165016830 721834550 /nfs/dbraw/zinc/83/45/50/721834550.db2.gz HZNULVDHANYTTD-UHFFFAOYSA-N 0 0 470.875 4.605 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(Cl)nc(SC)n2)CC1 ZINC001165022512 721838761 /nfs/dbraw/zinc/83/87/61/721838761.db2.gz UOOICYIGGXXROB-UHFFFAOYSA-N 0 0 472.989 4.515 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164920638 721839155 /nfs/dbraw/zinc/83/91/55/721839155.db2.gz ABPJVUVXTYAZEC-BTYIYWSLSA-N 0 0 481.330 4.546 20 0 JJADRN Fc1cnc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)C2)nc1 ZINC001164919338 721846218 /nfs/dbraw/zinc/84/62/18/721846218.db2.gz AOMGAEJZHBAKOU-SFHVURJKSA-N 0 0 496.748 4.639 20 0 JJADRN CN1C(=O)CC[C@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932839 721893308 /nfs/dbraw/zinc/89/33/08/721893308.db2.gz JAXVCKWEAYKKEH-SFTDATJTSA-N 0 0 461.635 4.544 20 0 JJADRN 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ZINC001165045290 721939779 /nfs/dbraw/zinc/93/97/79/721939779.db2.gz XYTINSIVQVGPKJ-UHFFFAOYSA-N 0 0 461.303 4.751 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164943919 721949427 /nfs/dbraw/zinc/94/94/27/721949427.db2.gz PRNWHCNQGBRNFM-DNQXCXABSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C[C@@H]21 ZINC001164947944 721956126 /nfs/dbraw/zinc/95/61/26/721956126.db2.gz RACLASBWCJQONO-SFTDATJTSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]21 ZINC001164949041 721960680 /nfs/dbraw/zinc/96/06/80/721960680.db2.gz SRYTYXHDEHCRGW-YADHBBJMSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]21 ZINC001164944137 721964574 /nfs/dbraw/zinc/96/45/74/721964574.db2.gz HLXZSTPJNRLHBD-RBUKOAKNSA-N 0 0 480.968 4.703 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]12 ZINC001164949806 721965635 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KORUJYGODCHDAH-UHFFFAOYSA-N 0 0 453.276 4.507 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@@H]21 ZINC001164952260 722003690 /nfs/dbraw/zinc/00/36/90/722003690.db2.gz MATCFURWBVCMNH-LEWJYISDSA-N 0 0 483.019 4.822 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]21 ZINC001164953996 722004802 /nfs/dbraw/zinc/00/48/02/722004802.db2.gz UMGHZRQWYJHZDG-MSOLQXFVSA-N 0 0 478.934 4.914 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)c(Cl)n1 ZINC001164953558 722004830 /nfs/dbraw/zinc/00/48/30/722004830.db2.gz REMRHRJOKJDIRG-JKSUJKDBSA-N 0 0 472.923 4.633 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)n1 ZINC001164952565 722005823 /nfs/dbraw/zinc/00/58/23/722005823.db2.gz NPPCWKUIWGHNCU-UHFFFAOYSA-N 0 0 462.957 4.522 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCN(Cc4cccnc4)c4nc(C)ccc4C3)nc(Cl)c2c1 ZINC001164950071 722006736 /nfs/dbraw/zinc/00/67/36/722006736.db2.gz BKBYQMOQJHIZNH-UHFFFAOYSA-N 0 0 496.949 4.962 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cs1 ZINC001164953588 722006909 /nfs/dbraw/zinc/00/69/09/722006909.db2.gz RPEVUFPXRFFBQQ-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCN(CCc2ccccn2)CC1 ZINC001165056328 722014362 /nfs/dbraw/zinc/01/43/62/722014362.db2.gz STCFLFRYNGBEQJ-UHFFFAOYSA-N 0 0 472.754 4.895 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)n1 ZINC001164964045 722025814 /nfs/dbraw/zinc/02/58/14/722025814.db2.gz VBMJMQGCVYVCDV-XLIONFOSSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)C3)n1 ZINC001164964038 722025817 /nfs/dbraw/zinc/02/58/17/722025817.db2.gz VBMJMQGCVYVCDV-FXAWDEMLSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc(F)c(Cl)n2)C3)n1 ZINC001164964720 722026111 /nfs/dbraw/zinc/02/61/11/722026111.db2.gz XZZGUVOYEGRNSM-CTNGQTDRSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)n1 ZINC001164961221 722026179 /nfs/dbraw/zinc/02/61/79/722026179.db2.gz MCLOWFFEROMOHG-XLIONFOSSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)c(F)c2)C3)n1 ZINC001164963354 722026514 /nfs/dbraw/zinc/02/65/14/722026514.db2.gz SJXVKEHASQPHBA-TZIWHRDSSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(Cl)ncc2F)C3)n1 ZINC001164964128 722026650 /nfs/dbraw/zinc/02/66/50/722026650.db2.gz VNVRELSJOPSZIA-CTNGQTDRSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2nc(Cl)ccc2CN2CCCC2)C3)n1 ZINC001164964993 722026804 /nfs/dbraw/zinc/02/68/04/722026804.db2.gz YMMMMBMRYFOGJI-BVAGGSTKSA-N 0 0 471.045 4.627 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164962634 722028884 /nfs/dbraw/zinc/02/88/84/722028884.db2.gz YJFQNACMNVAIDS-GVDBMIGSSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164956731 722029727 /nfs/dbraw/zinc/02/97/27/722029727.db2.gz IPBCTNDZOOCPGR-AQNXPRMDSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)c(Cl)nn1 ZINC001164958421 722030165 /nfs/dbraw/zinc/03/01/65/722030165.db2.gz OYGSSPNKWKHUSI-AABGKKOBSA-N 0 0 494.876 4.830 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164962458 722033093 /nfs/dbraw/zinc/03/30/93/722033093.db2.gz XPHKHFOJXUFCGA-ZJSXRUAMSA-N 0 0 468.935 4.875 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164961561 722033758 /nfs/dbraw/zinc/03/37/58/722033758.db2.gz WIJIUSXGRWHAPD-URXFXBBRSA-N 0 0 484.934 4.755 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164956520 722035224 /nfs/dbraw/zinc/03/52/24/722035224.db2.gz HNFKVLHEOUTKLA-DVECYGJZSA-N 0 0 484.934 4.755 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164961985 722035448 /nfs/dbraw/zinc/03/54/48/722035448.db2.gz WQUXPDFXVCPCPG-HYBUGGRVSA-N 0 0 483.950 4.578 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C3)CC2=O)s1 ZINC001164965452 722044235 /nfs/dbraw/zinc/04/42/35/722044235.db2.gz YVXYNOSEYSULMG-OAQYLSRUSA-N 0 0 475.952 4.740 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)C3)CC2=O)s1 ZINC001164964869 722044533 /nfs/dbraw/zinc/04/45/33/722044533.db2.gz VWGNZYKDFRADKW-NRFANRHFSA-N 0 0 475.952 4.740 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164960743 722049046 /nfs/dbraw/zinc/04/90/46/722049046.db2.gz WDDHQZIDMWDAPJ-VQIMIIECSA-N 0 0 458.896 4.594 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164960427 722049087 /nfs/dbraw/zinc/04/90/87/722049087.db2.gz WDDHQZIDMWDAPJ-QFBILLFUSA-N 0 0 458.896 4.594 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)cnc2Cl)c1 ZINC001164959661 722049251 /nfs/dbraw/zinc/04/92/51/722049251.db2.gz RECHLAUQZXVHRM-UZLBHIALSA-N 0 0 473.907 4.899 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c(Cl)nn2)c1 ZINC001164960298 722049364 /nfs/dbraw/zinc/04/93/64/722049364.db2.gz UWRGVIWCXNGWGT-QFBILLFUSA-N 0 0 458.896 4.594 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)c(Cl)n1 ZINC001164956625 722049853 /nfs/dbraw/zinc/04/98/53/722049853.db2.gz BXAFSXNYSUSLDJ-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956883 722049917 /nfs/dbraw/zinc/04/99/17/722049917.db2.gz DNKVJVYXISYMLP-UHFFFAOYSA-N 0 0 490.345 4.903 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)cnc1Cl ZINC001164959416 722050735 /nfs/dbraw/zinc/05/07/35/722050735.db2.gz IZDAZYARRIGYHR-UHFFFAOYSA-N 0 0 459.859 4.882 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)nc2Cl)[C@H]3C)c1 ZINC001164962856 722062753 /nfs/dbraw/zinc/06/27/53/722062753.db2.gz AIDWDBPUQPPZCR-ZDUSSCGKSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@H]3C)c1 ZINC001164966365 722062785 /nfs/dbraw/zinc/06/27/85/722062785.db2.gz ROVIZKRSQBRPAA-ZDUSSCGKSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)ncc2Cl)[C@H]3C)c1 ZINC001164965107 722062927 /nfs/dbraw/zinc/06/29/27/722062927.db2.gz IRDGLWWHLOEFEW-ZDUSSCGKSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)[C@@H]3C)c1 ZINC001164965469 722063664 /nfs/dbraw/zinc/06/36/64/722063664.db2.gz KETPGOZPIWRDJM-OAHLLOKOSA-N 0 0 482.799 4.896 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164965738 722066503 /nfs/dbraw/zinc/06/65/03/722066503.db2.gz KXHWQEFQFKZMNR-UHFFFAOYSA-N 0 0 491.995 4.789 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164965318 722066988 /nfs/dbraw/zinc/06/69/88/722066988.db2.gz IVBZVKSHULMTQG-UHFFFAOYSA-N 0 0 491.995 4.789 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164968287 722078445 /nfs/dbraw/zinc/07/84/45/722078445.db2.gz ZXVLOOHGDRVTNM-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164967369 722078525 /nfs/dbraw/zinc/07/85/25/722078525.db2.gz BRYVMFCEFWWAJW-UHFFFAOYSA-N 0 0 474.964 4.863 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)Cc3ccccc3CNC4=O)c(Cl)nn2)cc1 ZINC001164968134 722078735 /nfs/dbraw/zinc/07/87/35/722078735.db2.gz RYXGNYKERQCROA-UHFFFAOYSA-N 0 0 498.961 4.810 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164970815 722081411 /nfs/dbraw/zinc/08/14/11/722081411.db2.gz SFMYPJBVMQSKJI-ODGPQVTHSA-N 0 0 499.993 4.968 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164970552 722082617 /nfs/dbraw/zinc/08/26/17/722082617.db2.gz YVSITTLDHNDLSH-FPOVZHCZSA-N 0 0 479.930 4.550 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970389 722083118 /nfs/dbraw/zinc/08/31/18/722083118.db2.gz XRQOPCKRLFHZEX-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCc4onc(COc5ccccn5)c4C3)c(Cl)nn2)c1 ZINC001164970095 722083208 /nfs/dbraw/zinc/08/32/08/722083208.db2.gz UPYWIVFGIXGYBL-UHFFFAOYSA-N 0 0 499.905 4.875 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)n1 ZINC001164977640 722085752 /nfs/dbraw/zinc/08/57/52/722085752.db2.gz XKGWPACTGWVQMA-PMACEKPBSA-N 0 0 475.662 4.551 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164972670 722091330 /nfs/dbraw/zinc/09/13/30/722091330.db2.gz HCMRDGUIVTVGGW-QFIPXVFZSA-N 0 0 494.083 4.601 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164971178 722091349 /nfs/dbraw/zinc/09/13/49/722091349.db2.gz ALPOGXHMVFQFBC-OAHLLOKOSA-N 0 0 466.935 4.880 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164979405 722091549 /nfs/dbraw/zinc/09/15/49/722091549.db2.gz ZJZYICJQZLSTKD-OAHLLOKOSA-N 0 0 466.935 4.880 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]21 ZINC001164981792 722097299 /nfs/dbraw/zinc/09/72/99/722097299.db2.gz OULATQLWWSVZIH-TXTKFYIRSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]21 ZINC001164985742 722097305 /nfs/dbraw/zinc/09/73/05/722097305.db2.gz WKPZEDBIWIWUAP-PCCBWWKXSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]21 ZINC001164985802 722097527 /nfs/dbraw/zinc/09/75/27/722097527.db2.gz WYETXLHLFNAYFI-YQVWRLOYSA-N 0 0 475.902 4.513 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)c1 ZINC001164980094 722097770 /nfs/dbraw/zinc/09/77/70/722097770.db2.gz JGNZSLDVZCFQBA-RYRKJORJSA-N 0 0 452.958 4.548 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]21 ZINC001164982821 722098020 /nfs/dbraw/zinc/09/80/20/722098020.db2.gz PGELQUGWHWOKBQ-JXXFODFXSA-N 0 0 489.979 4.949 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cnc1Cl ZINC001164976199 722160782 /nfs/dbraw/zinc/16/07/82/722160782.db2.gz UWJMSPSZEQVSPB-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C2)C1=O ZINC001164981838 722162753 /nfs/dbraw/zinc/16/27/53/722162753.db2.gz SMFWMRYKCMJNSI-XMMPIXPASA-N 0 0 469.919 4.983 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C3)c3ccccc3N(C)C4=O)c(Cl)nn2)c1 ZINC001164978461 722163178 /nfs/dbraw/zinc/16/31/78/722163178.db2.gz HURCGJCJIGUDOK-QHCPKHFHSA-N 0 0 454.908 4.775 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164981205 722164387 /nfs/dbraw/zinc/16/43/87/722164387.db2.gz PMFKMAHLXNMYOG-FDDCHVKYSA-N 0 0 499.986 4.576 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164974366 722165438 /nfs/dbraw/zinc/16/54/38/722165438.db2.gz FNWNYBUOGKIXER-DNVCBOLYSA-N 0 0 450.357 4.749 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)c(Cl)n1 ZINC001164978011 722165777 /nfs/dbraw/zinc/16/57/77/722165777.db2.gz OYPRGGSQPUMTOW-VGSWGCGISA-N 0 0 472.960 4.791 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164974587 722166267 /nfs/dbraw/zinc/16/62/67/722166267.db2.gz GFSCNROWEOAGSL-UTKZUKDTSA-N 0 0 468.932 4.665 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164974638 722170132 /nfs/dbraw/zinc/17/01/32/722170132.db2.gz GMMDOLIPEYKIID-CEXWTWQISA-N 0 0 463.912 4.553 20 0 JJADRN c1ccc(CN2CCc3c(ncnc3N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)C2)cc1 ZINC001164980469 722170780 /nfs/dbraw/zinc/17/07/80/722170780.db2.gz YIYFPBZRWUPMLE-FULLSBAXSA-N 0 0 452.602 4.736 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)cnc4Cl)CC[C@@H]32)cs1 ZINC001164983640 722175969 /nfs/dbraw/zinc/17/59/69/722175969.db2.gz BZGXRQSFEJZPBY-DLBZAZTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)CC[C@H]32)cs1 ZINC001164989604 722176178 /nfs/dbraw/zinc/17/61/78/722176178.db2.gz ULTKMCNEDZHCIP-HZPDHXFCSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@@H]32)cs1 ZINC001164993101 722180980 /nfs/dbraw/zinc/18/09/80/722180980.db2.gz UXVFVAZPIIWOSD-LOSJGSFVSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(C)c(C)cc5nc4Cl)CC[C@H]32)cs1 ZINC001164986946 722183911 /nfs/dbraw/zinc/18/39/11/722183911.db2.gz GGYXOOFQVPEBKC-RTWAWAEBSA-N 0 0 458.031 4.535 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5cc(C)c(C)cc5nc4Cl)CC[C@@H]32)cs1 ZINC001164986947 722183941 /nfs/dbraw/zinc/18/39/41/722183941.db2.gz GGYXOOFQVPEBKC-SFTDATJTSA-N 0 0 458.031 4.535 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(OCc5ccccc5)cc4Cl)CC[C@@H]32)cs1 ZINC001164988671 722184600 /nfs/dbraw/zinc/18/46/00/722184600.db2.gz NOBPMMNJCKAOGE-ZEQRLZLVSA-N 0 0 485.053 4.949 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[C@H]32)cs1 ZINC001164985607 722185108 /nfs/dbraw/zinc/18/51/08/722185108.db2.gz BJQYIPCCBJTXBF-QUCCMNQESA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)CC[C@H]32)cs1 ZINC001164986662 722185286 /nfs/dbraw/zinc/18/52/86/722185286.db2.gz GBEDTACDVHUSCM-DHIUTWEWSA-N 0 0 498.052 4.622 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5c(Cl)cccc5nc4Cl)CC[C@H]32)cs1 ZINC001164987320 722186296 /nfs/dbraw/zinc/18/62/96/722186296.db2.gz JMJGLLSCYCWLAM-MSOLQXFVSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccc(C)cc4)CC[C@H]32)cs1 ZINC001164988113 722186428 /nfs/dbraw/zinc/18/64/28/722186428.db2.gz LRUMJANCHQKCPO-IRLDBZIGSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4cccc(C)c4)CC[C@H]32)cs1 ZINC001164988096 722186449 /nfs/dbraw/zinc/18/64/49/722186449.db2.gz LPFKVGFEERTDBX-IFMALSPDSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4F)CC[C@@H]32)cs1 ZINC001164985836 722186478 /nfs/dbraw/zinc/18/64/78/722186478.db2.gz CKZOQDDQIFBJRN-GHTZIAJQSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4cccc(F)c4)CC[C@@H]32)cs1 ZINC001164986043 722186532 /nfs/dbraw/zinc/18/65/32/722186532.db2.gz CWXZLLNXFIMSIC-PZJWPPBQSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)ccc5c(Cl)ncnc54)CC[C@H]32)cs1 ZINC001164991328 722186686 /nfs/dbraw/zinc/18/66/86/722186686.db2.gz SZSLYAPKQJWSJX-MSOLQXFVSA-N 0 0 464.422 4.571 20 0 JJADRN COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164992396 722186817 /nfs/dbraw/zinc/18/68/17/722186817.db2.gz RVDGIOCMKMANOC-WOJBJXKFSA-N 0 0 477.005 4.671 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164990619 722187513 /nfs/dbraw/zinc/18/75/13/722187513.db2.gz MDMCHLMRRQKICN-IBGZPJMESA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164988752 722187803 /nfs/dbraw/zinc/18/78/03/722187803.db2.gz FXVXAXUASODKEX-LJQANCHMSA-N 0 0 496.961 4.582 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)CC2 ZINC001164991416 722187816 /nfs/dbraw/zinc/18/78/16/722187816.db2.gz OYEPAEQYFSXGCL-HXUWFJFHSA-N 0 0 492.998 4.752 20 0 JJADRN O=C(c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(Cl)c1)N1CCCCC1 ZINC001164995395 722208828 /nfs/dbraw/zinc/20/88/28/722208828.db2.gz NOHDVPYYNJTSDT-RUZDIDTESA-N 0 0 456.993 4.745 20 0 JJADRN O=C1C[C@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000877 722220233 /nfs/dbraw/zinc/22/02/33/722220233.db2.gz ZZOVVKGLJHBUNO-DEOSSOPVSA-N 0 0 498.917 4.704 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)c2ccccc21 ZINC001165000380 722220494 /nfs/dbraw/zinc/22/04/94/722220494.db2.gz WTRFZSRRJXFXJW-UHFFFAOYSA-N 0 0 479.358 4.790 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)c2ccccc21 ZINC001164998249 722220518 /nfs/dbraw/zinc/22/05/18/722220518.db2.gz HLSKVGOZDICOIY-UHFFFAOYSA-N 0 0 479.358 4.790 20 0 JJADRN O=C1C[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999007 722220688 /nfs/dbraw/zinc/22/06/88/722220688.db2.gz NUFQIDZYOSZRIF-JOCHJYFZSA-N 0 0 461.896 4.519 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c(Cl)n1 ZINC001164999917 722221415 /nfs/dbraw/zinc/22/14/15/722221415.db2.gz TYQGFUZKBKGNHJ-FQEVSTJZSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164999305 722221609 /nfs/dbraw/zinc/22/16/09/722221609.db2.gz QFQBNNWPZQLIOP-HYBUGGRVSA-N 0 0 494.945 4.515 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164999304 722221733 /nfs/dbraw/zinc/22/17/33/722221733.db2.gz QFQBNNWPZQLIOP-GBXCKJPGSA-N 0 0 494.945 4.515 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@H]1Cc1cnn(C)c1 ZINC001164997915 722223117 /nfs/dbraw/zinc/22/31/17/722223117.db2.gz DXVMFTOSVKQVOY-VXKWHMMOSA-N 0 0 476.955 4.533 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164999012 722225029 /nfs/dbraw/zinc/22/50/29/722225029.db2.gz GQSDBINFMQKULV-YADHBBJMSA-N 0 0 494.945 4.673 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)n1 ZINC001165000099 722226366 /nfs/dbraw/zinc/22/63/66/722226366.db2.gz QHHUOCZHYASILY-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(-c3ccccc3)nnc2Cl)n1 ZINC001164998324 722227252 /nfs/dbraw/zinc/22/72/52/722227252.db2.gz AFDNLVPPJWLJEA-LJQANCHMSA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)n1 ZINC001165001344 722227709 /nfs/dbraw/zinc/22/77/09/722227709.db2.gz ZNLQBTTZXHRJKK-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CCC2 ZINC001164996972 722228738 /nfs/dbraw/zinc/22/87/38/722228738.db2.gz LDHGYKVDGDVEAJ-UHFFFAOYSA-N 0 0 480.346 4.843 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C2)c2ccccc2N3CC(C)C)nc1Cl ZINC001165006369 722245245 /nfs/dbraw/zinc/24/52/45/722245245.db2.gz YLKYORZUFLZSBD-IEBWSBKVSA-N 0 0 464.944 4.690 20 0 JJADRN c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001165006081 722271188 /nfs/dbraw/zinc/27/11/88/722271188.db2.gz LSIFAAHKNCPAKE-IZLXSDGUSA-N 0 0 454.618 4.652 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@H](OCC3CC3)[C@@H]2Cc2ccccc2)c(Cl)n1 ZINC001165007003 722271569 /nfs/dbraw/zinc/27/15/69/722271569.db2.gz SVRDKHJCIOMXIA-PMACEKPBSA-N 0 0 450.913 4.683 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)cnc1Cl ZINC001165004870 722272276 /nfs/dbraw/zinc/27/22/76/722272276.db2.gz DDVXPKIDOYTOCL-WOJBJXKFSA-N 0 0 484.996 4.690 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165007268 722272340 /nfs/dbraw/zinc/27/23/40/722272340.db2.gz UQLIQUDJTVALFJ-IAGOWNOFSA-N 0 0 464.969 4.987 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)CC3)cs1 ZINC001165005783 722272746 /nfs/dbraw/zinc/27/27/46/722272746.db2.gz JXTWCHSQIWBEMK-OAHLLOKOSA-N 0 0 468.957 4.871 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)CC3)cs1 ZINC001165006018 722273052 /nfs/dbraw/zinc/27/30/52/722273052.db2.gz LDMHWPPZSGTTGD-INIZCTEOSA-N 0 0 468.957 4.871 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)CC3)cs1 ZINC001165006020 722273060 /nfs/dbraw/zinc/27/30/60/722273060.db2.gz LDMHWPPZSGTTGD-MRXNPFEDSA-N 0 0 468.957 4.871 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009867 722273553 /nfs/dbraw/zinc/27/35/53/722273553.db2.gz RDNFAUBBWDQOTR-ASUYLVSUSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008420 722273566 /nfs/dbraw/zinc/27/35/66/722273566.db2.gz JABPFOQGIQAARQ-NFHUAXAMSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008545 722273656 /nfs/dbraw/zinc/27/36/56/722273656.db2.gz KSNPVUGQZAJIFQ-ZNRXUEPQSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009195 722273700 /nfs/dbraw/zinc/27/37/00/722273700.db2.gz NZAJWRXYXYCNGA-ZNRXUEPQSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010936 722273722 /nfs/dbraw/zinc/27/37/22/722273722.db2.gz XZCRRPBYCCUEEB-ASUYLVSUSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc32)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010213 722274198 /nfs/dbraw/zinc/27/41/98/722274198.db2.gz UIQSZEHXBLZBSR-JPEVHGAISA-N 0 0 475.927 4.559 20 0 JJADRN Cc1cccc(NC(=O)c2cc(Cl)ncc2Br)c1I ZINC001440224577 1065925063 /nfs/dbraw/zinc/92/50/63/1065925063.db2.gz DYWYFMNMDSCSJT-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359712111 1064260412 /nfs/dbraw/zinc/26/04/12/1064260412.db2.gz GLJNWTBLSOGOPV-UHFFFAOYSA-N 0 0 493.496 4.603 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359711957 1064260517 /nfs/dbraw/zinc/26/05/17/1064260517.db2.gz ZHGPCSQHMSKAPG-UHFFFAOYSA-N 0 0 473.593 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001545850105 1064261174 /nfs/dbraw/zinc/26/11/74/1064261174.db2.gz ZJKJZAWXIXIUFJ-DLBZAZTESA-N 0 0 450.631 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1ccc(Cl)cc1OC ZINC001545850075 1064261233 /nfs/dbraw/zinc/26/12/33/1064261233.db2.gz YSZLYZCYSFAGMN-NDXORKPFSA-N 0 0 474.049 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1SCCc2ccccc21 ZINC001545850139 1064261315 /nfs/dbraw/zinc/26/13/15/1064261315.db2.gz ZYXZUKLNNZUZDE-JBYIUTFZSA-N 0 0 455.672 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001545850106 1064261342 /nfs/dbraw/zinc/26/13/42/1064261342.db2.gz ZJKJZAWXIXIUFJ-IAGOWNOFSA-N 0 0 450.631 4.968 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCc1ccc(Cl)s1 ZINC001359713375 1064261514 /nfs/dbraw/zinc/26/15/14/1064261514.db2.gz JZNCSMBNKVUMGC-UHFFFAOYSA-N 0 0 479.984 4.600 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3nccs3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359712548 1064261590 /nfs/dbraw/zinc/26/15/90/1064261590.db2.gz XUVDAVLBTGBTML-UHFFFAOYSA-N 0 0 468.524 4.781 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1Cc1ccc(C)cc1F ZINC001545851361 1064261839 /nfs/dbraw/zinc/26/18/39/1064261839.db2.gz CAKKTGNHXUALAV-VGSWGCGISA-N 0 0 485.629 4.720 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1C[C@@H]1CCCC1(C)C ZINC001359713462 1064262013 /nfs/dbraw/zinc/26/20/13/1064262013.db2.gz NRRSNRYRBSXXFB-KRWDZBQOSA-N 0 0 462.013 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CCCC(C)(C)C ZINC001545852323 1064262395 /nfs/dbraw/zinc/26/23/95/1064262395.db2.gz RGSSRNJRPXLBDL-KNQAVFIVSA-N 0 0 455.647 4.989 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1Cc1cc(F)ccc1F ZINC001545852484 1064262752 /nfs/dbraw/zinc/26/27/52/1064262752.db2.gz UHHHQZJLHAWVQM-BTYIYWSLSA-N 0 0 489.592 4.551 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC001545852995 1064262834 /nfs/dbraw/zinc/26/28/34/1064262834.db2.gz DBJIIPZLPQAZNJ-KRWDZBQOSA-N 0 0 453.901 4.767 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001359714571 1064262783 /nfs/dbraw/zinc/26/27/83/1064262783.db2.gz BJZBUGYQLAMALX-OALUTQOASA-N 0 0 495.628 4.701 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCOCc1ccccc1 ZINC001359714841 1064262899 /nfs/dbraw/zinc/26/28/99/1064262899.db2.gz JDWMNHYNVZMLEI-NRFANRHFSA-N 0 0 471.646 4.844 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359715142 1064263229 /nfs/dbraw/zinc/26/32/29/1064263229.db2.gz RATBUXKSOVJYIC-NQIIRXRSSA-N 0 0 491.080 4.803 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359715064 1064263379 /nfs/dbraw/zinc/26/33/79/1064263379.db2.gz OWDDKMLWIKXQAJ-UHFFFAOYSA-N 0 0 469.630 4.828 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC1CCC(OC)CC1 ZINC001545854752 1064263544 /nfs/dbraw/zinc/26/35/44/1064263544.db2.gz LTKQJMLUEXTTJI-PWMLWUSASA-N 0 0 467.658 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545854866 1064263572 /nfs/dbraw/zinc/26/35/72/1064263572.db2.gz NLFSHXSPJQNJAW-HOTGVXAUSA-N 0 0 499.603 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC[C@@H]1CCCCO1 ZINC001545854244 1064263609 /nfs/dbraw/zinc/26/36/09/1064263609.db2.gz CMHXTHCWJBXPTI-WPYKKVEZSA-N 0 0 453.631 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1(c2ccccc2OC)CCC1 ZINC001545854366 1064263759 /nfs/dbraw/zinc/26/37/59/1064263759.db2.gz FMUSXBBMDVEBKJ-KDURUIRLSA-N 0 0 485.698 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545855069 1064264056 /nfs/dbraw/zinc/26/40/56/1064264056.db2.gz QKESIQGHLQTGAP-IYBDPMFKSA-N 0 0 499.603 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCc1csc(-c2ccccc2)n1 ZINC001545855479 1064264122 /nfs/dbraw/zinc/26/41/22/1064264122.db2.gz WOPRLUYDTUGPEM-HDICACEKSA-N 0 0 498.722 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC[C@@H](OC)C(F)(F)F ZINC001545855211 1064264175 /nfs/dbraw/zinc/26/41/75/1064264175.db2.gz SGNPLKCQBWSCKJ-ILZDJORESA-N 0 0 481.563 4.546 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545854868 1064264180 /nfs/dbraw/zinc/26/41/80/1064264180.db2.gz NLFSHXSPJQNJAW-IYBDPMFKSA-N 0 0 499.603 4.516 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359715790 1064264809 /nfs/dbraw/zinc/26/48/09/1064264809.db2.gz LQWNANUFWDEMJX-QGZVFWFLSA-N 0 0 498.644 4.506 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359715778 1064264829 /nfs/dbraw/zinc/26/48/29/1064264829.db2.gz LELJAWKZEFJBKC-UHFFFAOYSA-N 0 0 483.611 4.727 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1Cc1cccc(Br)n1 ZINC001545856867 1064264870 /nfs/dbraw/zinc/26/48/70/1064264870.db2.gz JXPFCUZVPRTVLS-GOSISDBHSA-N 0 0 489.462 4.561 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001359716217 1064265194 /nfs/dbraw/zinc/26/51/94/1064265194.db2.gz ZCTXEBTXMJCVJH-SFHVURJKSA-N 0 0 456.635 4.858 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@H]1CCC(F)(F)C1 ZINC001545856919 1064265374 /nfs/dbraw/zinc/26/53/74/1064265374.db2.gz KYNCRBKJCBFXTQ-CQSZACIVSA-N 0 0 496.400 4.915 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCc1cccc(OC)c1 ZINC001545856953 1064265482 /nfs/dbraw/zinc/26/54/82/1064265482.db2.gz LZMUORLNIOCCJE-UHFFFAOYSA-N 0 0 479.625 4.630 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359717094 1064265680 /nfs/dbraw/zinc/26/56/80/1064265680.db2.gz IDIUSTAATHNXIS-HXUWFJFHSA-N 0 0 462.495 4.744 20 0 JJADRN CC(C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359717757 1064265742 /nfs/dbraw/zinc/26/57/42/1064265742.db2.gz GCKNWKPCFSMYGD-FQEVSTJZSA-N 0 0 470.687 4.573 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359719055 1064266217 /nfs/dbraw/zinc/26/62/17/1064266217.db2.gz AJSISLRNPCGFGS-JTHBVZDNSA-N 0 0 460.066 4.828 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545857516 1064266599 /nfs/dbraw/zinc/26/65/99/1064266599.db2.gz YDYABDVFLWPIAU-OALUTQOASA-N 0 0 481.666 4.924 20 0 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CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1Cc1c(F)cccc1N1CCCC1 ZINC001545865937 1064274814 /nfs/dbraw/zinc/27/48/14/1064274814.db2.gz PZDUQFUAYLZETD-SANMLTNESA-N 0 0 470.637 4.611 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@@H]1CSc2ccccc21 ZINC001545865822 1064274857 /nfs/dbraw/zinc/27/48/57/1064274857.db2.gz MVWZJRXUYXWZIY-QZTJIDSGSA-N 0 0 455.672 4.958 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CCOC3CCCCCC3)CC2)n1 ZINC001359728344 1064275530 /nfs/dbraw/zinc/27/55/30/1064275530.db2.gz BNQBHJHBNAHRQZ-HXUWFJFHSA-N 0 0 473.666 4.531 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359728336 1064275549 /nfs/dbraw/zinc/27/55/49/1064275549.db2.gz BLRXHEMISXBTQK-OAHLLOKOSA-N 0 0 491.400 4.792 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1oc2ccccc2c1OC ZINC001545865982 1064275584 /nfs/dbraw/zinc/27/55/84/1064275584.db2.gz RMPIICLOCNQIBO-UHFFFAOYSA-N 0 0 453.587 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@H](C)Oc1ccccc1F ZINC001545866063 1064275623 /nfs/dbraw/zinc/27/56/23/1064275623.db2.gz UEVNBVMCLODQRZ-MSOLQXFVSA-N 0 0 459.610 4.676 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@@H]3C)CC2)n1 ZINC001359728415 1064275866 /nfs/dbraw/zinc/27/58/66/1064275866.db2.gz CQKOAIOPNZQYSI-SLFFLAALSA-N 0 0 457.667 4.693 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOc2ccc(F)cc2)C1 ZINC001359728424 1064275896 /nfs/dbraw/zinc/27/58/96/1064275896.db2.gz CUPYGVHUPPLOMP-HXUWFJFHSA-N 0 0 480.588 4.796 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359728430 1064275961 /nfs/dbraw/zinc/27/59/61/1064275961.db2.gz CVTFFPAYSGNHSO-LJQANCHMSA-N 0 0 458.628 4.777 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001545866594 1064276111 /nfs/dbraw/zinc/27/61/11/1064276111.db2.gz IYSUITGVUTWFLG-GFCCVEGCSA-N 0 0 455.324 4.567 20 0 JJADRN 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CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccc(C(F)F)n2)C1 ZINC001359729436 1064279739 /nfs/dbraw/zinc/27/97/39/1064279739.db2.gz ZODYLHNIRGUSMH-CYBMUJFWSA-N 0 0 480.361 4.684 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(C)(C)C)C1 ZINC001359729568 1064279852 /nfs/dbraw/zinc/27/98/52/1064279852.db2.gz CIEOEEHWCVIWHK-IBGZPJMESA-N 0 0 460.692 4.937 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001359729617 1064279876 /nfs/dbraw/zinc/27/98/76/1064279876.db2.gz DRRRXHAUIQVKPO-LJQANCHMSA-N 0 0 479.629 4.946 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545868479 1064279955 /nfs/dbraw/zinc/27/99/55/1064279955.db2.gz QVKHIYJGHPBNGD-RTWAWAEBSA-N 0 0 467.658 4.989 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@@H]2CCOC2)C1 ZINC001359729719 1064280264 /nfs/dbraw/zinc/28/02/64/1064280264.db2.gz GHTHUHIERONRAU-PKOBYXMFSA-N 0 0 495.437 4.915 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545869992 1064281276 /nfs/dbraw/zinc/28/12/76/1064281276.db2.gz DEKOFHKWJGOYTO-HXAGEGRHSA-N 0 0 453.631 4.538 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001545869381 1064281431 /nfs/dbraw/zinc/28/14/31/1064281431.db2.gz MNSGLXLEJXLSBA-OAQYLSRUSA-N 0 0 457.347 4.767 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(O)CCOCC2)C1 ZINC001359730494 1064281665 /nfs/dbraw/zinc/28/16/65/1064281665.db2.gz WEPQWIHERSXRHK-KRWDZBQOSA-N 0 0 495.437 4.651 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(O)CCOCC2)C1 ZINC001359730495 1064281715 /nfs/dbraw/zinc/28/17/15/1064281715.db2.gz WEPQWIHERSXRHK-QGZVFWFLSA-N 0 0 495.437 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CCOc1ccc(Cl)cn1 ZINC001545870126 1064282030 /nfs/dbraw/zinc/28/20/30/1064282030.db2.gz HGHUWIFHBKPOME-HXUWFJFHSA-N 0 0 497.043 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CCc1csc(C)n1 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DWRDCDBNXQSDER-IBGZPJMESA-N 0 0 451.606 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC[C@H](C)c1ccccc1 ZINC001545872152 1064287602 /nfs/dbraw/zinc/28/76/02/1064287602.db2.gz ILNLGKKQUNZNJT-FQEVSTJZSA-N 0 0 477.657 4.508 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001545872132 1064287797 /nfs/dbraw/zinc/28/77/97/1064287797.db2.gz IAWZWGLYZXGKBX-UHFFFAOYSA-N 0 0 491.036 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001545872146 1064287816 /nfs/dbraw/zinc/28/78/16/1064287816.db2.gz IHDVHDIKOZGMOZ-UHFFFAOYSA-N 0 0 499.610 4.783 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)C1 ZINC001359732953 1064288498 /nfs/dbraw/zinc/28/84/98/1064288498.db2.gz ORCXLSINVJTSLH-XMMPIXPASA-N 0 0 472.699 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545872682 1064288539 /nfs/dbraw/zinc/28/85/39/1064288539.db2.gz VUWKAWQIZDUGKR-BWKNWUBXSA-N 0 0 473.687 4.990 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2ccnn2)C1 ZINC001359733038 1064288860 /nfs/dbraw/zinc/28/88/60/1064288860.db2.gz QHSBTZWGDHQONB-GOSISDBHSA-N 0 0 460.051 4.778 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)cc(C(F)(F)F)c1 ZINC001545873062 1064288853 /nfs/dbraw/zinc/28/88/53/1064288853.db2.gz FHMNMVJTGIWFLC-UHFFFAOYSA-N 0 0 458.889 4.660 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2Cl)C1 ZINC001359733026 1064288918 /nfs/dbraw/zinc/28/89/18/1064288918.db2.gz QEWQEQSWYOAQKD-KRWDZBQOSA-N 0 0 458.031 4.844 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC(C)C)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001545873953 1064289802 /nfs/dbraw/zinc/28/98/02/1064289802.db2.gz DRSPQWUKWWUORH-KRWDZBQOSA-N 0 0 490.048 4.542 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359733227 1064289866 /nfs/dbraw/zinc/28/98/66/1064289866.db2.gz UPTRBAVVJQBENX-QFIPXVFZSA-N 0 0 460.688 4.539 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001359733258 1064289897 /nfs/dbraw/zinc/28/98/97/1064289897.db2.gz VBUMIIWYZLCKCT-PGTSUSQTSA-N 0 0 454.659 4.977 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCCCC1 ZINC001359733334 1064290339 /nfs/dbraw/zinc/29/03/39/1064290339.db2.gz WTATYJQKBLWNPE-FQEVSTJZSA-N 0 0 474.447 4.735 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545874418 1064290523 /nfs/dbraw/zinc/29/05/23/1064290523.db2.gz QYFZTIIHKJJVIA-HOTGVXAUSA-N 0 0 473.584 4.569 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C1CCCCC1 ZINC001359733663 1064291038 /nfs/dbraw/zinc/29/10/38/1064291038.db2.gz DUQCUUVLRSZVNU-UGKGYDQZSA-N 0 0 464.452 4.992 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CSCCS2)C1 ZINC001359733476 1064291135 /nfs/dbraw/zinc/29/11/35/1064291135.db2.gz ZEVYXVIWZMMFMJ-YSTOQKLRSA-N 0 0 495.759 4.770 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545874616 1064291468 /nfs/dbraw/zinc/29/14/68/1064291468.db2.gz XFWJVGVEEQJZFD-NFBKMPQASA-N 0 0 467.658 4.562 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCOCC1 ZINC001359733725 1064291907 /nfs/dbraw/zinc/29/19/07/1064291907.db2.gz FVCVCFGNLFBQRZ-OAQYLSRUSA-N 0 0 477.447 4.918 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCOCC1 ZINC001359733724 1064291936 /nfs/dbraw/zinc/29/19/36/1064291936.db2.gz FVCVCFGNLFBQRZ-NRFANRHFSA-N 0 0 477.447 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@H]1CCCCS1 ZINC001545877388 1064293361 /nfs/dbraw/zinc/29/33/61/1064293361.db2.gz AXNFTUWUMRLUNU-HSZRJFAPSA-N 0 0 485.698 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001545877791 1064293918 /nfs/dbraw/zinc/29/39/18/1064293918.db2.gz NGYMJGFKRTYDES-UHFFFAOYSA-N 0 0 497.374 4.619 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccccc2Br)n1CCn1cc(Cl)cn1 ZINC001359734448 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/nfs/dbraw/zinc/31/13/58/1064311358.db2.gz MBYSTJZANCNUSZ-NTOOTBGVSA-N 0 0 489.705 4.816 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)C1 ZINC001359742258 1064311576 /nfs/dbraw/zinc/31/15/76/1064311576.db2.gz MLGFAOGIPIQPEO-AZUAARDMSA-N 0 0 489.064 4.972 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001359742862 1064312648 /nfs/dbraw/zinc/31/26/48/1064312648.db2.gz WGWADISRHPAWIZ-VXKWHMMOSA-N 0 0 461.601 4.973 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)cc1Cl ZINC001434881718 1064313628 /nfs/dbraw/zinc/31/36/28/1064313628.db2.gz FWUDNIYJLPBHCI-UHFFFAOYSA-N 0 0 458.896 4.685 20 0 JJADRN COc1ccc(C)cc1C1(CNC(=O)Cc2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001434881099 1064313696 /nfs/dbraw/zinc/31/36/96/1064313696.db2.gz DXFFREKDKAIPLG-UHFFFAOYSA-N 0 0 459.586 4.990 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001359743520 1064313971 /nfs/dbraw/zinc/31/39/71/1064313971.db2.gz MGHKNPVAFOWWIK-DEOSSOPVSA-N 0 0 460.594 4.989 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359743631 1064314145 /nfs/dbraw/zinc/31/41/45/1064314145.db2.gz ONIJVPFOGJGKSC-SFHVURJKSA-N 0 0 457.972 4.889 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 ZINC001359743390 1064314174 /nfs/dbraw/zinc/31/41/74/1064314174.db2.gz JBBMWFDSVUITHQ-SFHVURJKSA-N 0 0 471.593 4.504 20 0 JJADRN Cc1c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001434882231 1064314671 /nfs/dbraw/zinc/31/46/71/1064314671.db2.gz HBGFYOUDCZNOGL-SIKLNZKXSA-N 0 0 458.484 4.551 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359744081 1064314888 /nfs/dbraw/zinc/31/48/88/1064314888.db2.gz ZBWCVOAUVOTXEX-SFTDATJTSA-N 0 0 471.621 4.890 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001359744412 1064315714 /nfs/dbraw/zinc/31/57/14/1064315714.db2.gz HOYQUQQXWLYMSZ-INIZCTEOSA-N 0 0 493.555 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC001434883596 1064316122 /nfs/dbraw/zinc/31/61/22/1064316122.db2.gz SWXSABRWMXXGEM-JOCHJYFZSA-N 0 0 450.579 4.801 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCCC2)CC1 ZINC001359744474 1064316333 /nfs/dbraw/zinc/31/63/33/1064316333.db2.gz JBYUUBMWYKVGLY-UHFFFAOYSA-N 0 0 477.447 4.797 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(Br)s1 ZINC001434884993 1064316947 /nfs/dbraw/zinc/31/69/47/1064316947.db2.gz OCGMCEJAGGNLIF-SFHVURJKSA-N 0 0 451.386 4.899 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)CC1 ZINC001359745116 1064318027 /nfs/dbraw/zinc/31/80/27/1064318027.db2.gz AKQHHRWHZYPRHA-FQEVSTJZSA-N 0 0 461.651 4.528 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001359745198 1064318109 /nfs/dbraw/zinc/31/81/09/1064318109.db2.gz CNXVDQFFDFNVRF-HLAWJBBLSA-N 0 0 461.651 4.648 20 0 JJADRN Cc1cc(C(=O)NCCc2ccccc2C(F)(F)F)nn1-c1ccc(Br)cc1 ZINC001434887924 1064319426 /nfs/dbraw/zinc/31/94/26/1064319426.db2.gz XUSAZILKCBECKN-UHFFFAOYSA-N 0 0 452.274 4.935 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c1 ZINC001434889938 1064320627 /nfs/dbraw/zinc/32/06/27/1064320627.db2.gz YSAREODKVPNREW-UHFFFAOYSA-N 0 0 452.567 4.933 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CCCOC1 ZINC001434891031 1064320646 /nfs/dbraw/zinc/32/06/46/1064320646.db2.gz OINDNWHKHTUXCV-HSZRJFAPSA-N 0 0 452.979 4.921 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001359745822 1064321334 /nfs/dbraw/zinc/32/13/34/1064321334.db2.gz RJNBJWAMFUVQEU-SFHVURJKSA-N 0 0 471.577 4.830 20 0 JJADRN C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)c1ccc(Cl)c(Cl)c1 ZINC001434891129 1064321363 /nfs/dbraw/zinc/32/13/63/1064321363.db2.gz LXADGWZHAGUOMC-CYBMUJFWSA-N 0 0 457.304 4.683 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC001434891693 1064321605 /nfs/dbraw/zinc/32/16/05/1064321605.db2.gz XFNNKRSRUDSYNI-GOSISDBHSA-N 0 0 456.974 4.608 20 0 JJADRN Cc1cc(I)cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC001434891653 1064321672 /nfs/dbraw/zinc/32/16/72/1064321672.db2.gz UCNHWXOUKJTLQX-UHFFFAOYSA-N 0 0 450.320 4.514 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC=CO2)C1 ZINC001359745952 1064321951 /nfs/dbraw/zinc/32/19/51/1064321951.db2.gz VVMCGAAUPPEZJY-YLJYHZDGSA-N 0 0 461.404 4.795 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccsc2)C1 ZINC001359746113 1064322898 /nfs/dbraw/zinc/32/28/98/1064322898.db2.gz ZJHWXSKOKHLBPT-AQNXPRMDSA-N 0 0 459.660 4.835 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCCCc1cccc(C(F)(F)F)c1 ZINC001434894049 1064323208 /nfs/dbraw/zinc/32/32/08/1064323208.db2.gz SEMHYERUTXDZIN-MRXNPFEDSA-N 0 0 455.274 4.643 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC001434896401 1064324632 /nfs/dbraw/zinc/32/46/32/1064324632.db2.gz VJKJEYIPGDJZER-UHFFFAOYSA-N 0 0 455.388 4.759 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001434897683 1064325193 /nfs/dbraw/zinc/32/51/93/1064325193.db2.gz ALPLWLBAYZFDPH-OAQYLSRUSA-N 0 0 458.558 4.691 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)c(F)c2F)CCO1 ZINC001359746642 1064325381 /nfs/dbraw/zinc/32/53/81/1064325381.db2.gz KJYDZZYLDJMLOL-QGZVFWFLSA-N 0 0 498.347 4.557 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3oc(=O)c4ccccc4c3C)c(C(F)(F)F)c2)n1 ZINC001434897424 1064325355 /nfs/dbraw/zinc/32/53/55/1064325355.db2.gz AYTJRQRSNUVHIS-UHFFFAOYSA-N 0 0 455.436 4.853 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)c1C ZINC001434897584 1064325594 /nfs/dbraw/zinc/32/55/94/1064325594.db2.gz BCRMTXPTMSITIU-UHFFFAOYSA-N 0 0 452.617 4.768 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC001434897945 1064326163 /nfs/dbraw/zinc/32/61/63/1064326163.db2.gz PBHHOTQQGIQMTK-BVAGGSTKSA-N 0 0 454.567 4.866 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC001434898435 1064326344 /nfs/dbraw/zinc/32/63/44/1064326344.db2.gz GACLVQIYPVUCNR-HNNXBMFYSA-N 0 0 450.398 4.760 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)CCS1 ZINC001359747247 1064326587 /nfs/dbraw/zinc/32/65/87/1064326587.db2.gz XGPRNTGHLSUVLZ-PGRDOPGGSA-N 0 0 496.519 4.565 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccnc3OC(C)C)cc2Cl)n1 ZINC001434898568 1064326927 /nfs/dbraw/zinc/32/69/27/1064326927.db2.gz SNBOGLSXEDOSLG-MRXNPFEDSA-N 0 0 455.946 4.788 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(F)c(F)c2F)CCO1 ZINC001359747532 1064328853 /nfs/dbraw/zinc/32/88/53/1064328853.db2.gz DEHGDXCDXWZAIQ-QGZVFWFLSA-N 0 0 465.907 4.515 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(F)c(F)c2F)CCO1 ZINC001359747531 1064328907 /nfs/dbraw/zinc/32/89/07/1064328907.db2.gz DEHGDXCDXWZAIQ-KRWDZBQOSA-N 0 0 465.907 4.515 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001359747523 1064328923 /nfs/dbraw/zinc/32/89/23/1064328923.db2.gz DAFMIEZOKYIJQG-XUZZJYLKSA-N 0 0 465.013 4.930 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCCCCO)CCS1 ZINC001359747510 1064329056 /nfs/dbraw/zinc/32/90/56/1064329056.db2.gz CXECSIKKDLJYOZ-MRXNPFEDSA-N 0 0 473.506 4.900 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 ZINC001359747530 1064329076 /nfs/dbraw/zinc/32/90/76/1064329076.db2.gz DEGCRMDCWCFBPQ-QRFRQXIXSA-N 0 0 479.488 4.958 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC001434901023 1064329146 /nfs/dbraw/zinc/32/91/46/1064329146.db2.gz WMEBOCLWSFOHAR-UHFFFAOYSA-N 0 0 457.349 4.874 20 0 JJADRN COc1cc(OC)c(C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC001434902047 1064329841 /nfs/dbraw/zinc/32/98/41/1064329841.db2.gz XYJZPXSPDDVRRO-FUHIMQAGSA-N 0 0 455.551 4.908 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)CCc2ccc(C)cc2Br)c1C ZINC001434902460 1064330388 /nfs/dbraw/zinc/33/03/88/1064330388.db2.gz YNKISESNPJANOZ-UHFFFAOYSA-N 0 0 453.402 4.789 20 0 JJADRN O=C(CCC1CC1)Nc1cc(NC(=O)c2ccccc2I)ccc1F ZINC001434903977 1064331224 /nfs/dbraw/zinc/33/12/24/1064331224.db2.gz NNFPNPMDTRIYSY-UHFFFAOYSA-N 0 0 452.267 4.811 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(N2CCCC2=O)cc1 ZINC001434903118 1064331345 /nfs/dbraw/zinc/33/13/45/1064331345.db2.gz YNVCCICXQRZMHX-OAHLLOKOSA-N 0 0 452.967 4.899 20 0 JJADRN C[C@@H](O)C(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001545887636 1064331360 /nfs/dbraw/zinc/33/13/60/1064331360.db2.gz LJPWRBYDOJJMTP-QGZVFWFLSA-N 0 0 452.624 4.600 20 0 JJADRN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001434904035 1064331419 /nfs/dbraw/zinc/33/14/19/1064331419.db2.gz OFWDPDJEKHBUMR-KZULUSFZSA-N 0 0 451.741 4.692 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001434904099 1064331986 /nfs/dbraw/zinc/33/19/86/1064331986.db2.gz FKJURIQTGUKMFO-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@H]2CCOC2)CCS1 ZINC001359747997 1064332031 /nfs/dbraw/zinc/33/20/31/1064332031.db2.gz MNWWDAFYSNUSQD-DYESRHJHSA-N 0 0 483.053 4.759 20 0 JJADRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001434904967 1064332386 /nfs/dbraw/zinc/33/23/86/1064332386.db2.gz MCUHAZDYMZNWHP-UHFFFAOYSA-N 0 0 451.567 4.944 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2s1 ZINC001434905070 1064332518 /nfs/dbraw/zinc/33/25/18/1064332518.db2.gz QPZIDRMFGDAGFN-GFCCVEGCSA-N 0 0 458.927 4.510 20 0 JJADRN COc1cc(CN(C)C(=O)c2cc(I)cc(C)c2C)ccc1SC ZINC001434904934 1064332547 /nfs/dbraw/zinc/33/25/47/1064332547.db2.gz LMACTENAGJIXNR-UHFFFAOYSA-N 0 0 455.361 4.911 20 0 JJADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1NC(=O)c1ccccc1I ZINC001434905044 1064332595 /nfs/dbraw/zinc/33/25/95/1064332595.db2.gz MWBQMPOSNLZLDW-SPLOXXLWSA-N 0 0 460.315 4.981 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)OC(C)(C)C)CCS1 ZINC001359748147 1064332607 /nfs/dbraw/zinc/33/26/07/1064332607.db2.gz PHWGQWJUZQAXOE-FQEVSTJZSA-N 0 0 482.654 4.596 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001434905980 1064333324 /nfs/dbraw/zinc/33/33/24/1064333324.db2.gz RDUDPXHGZOAUNY-UHFFFAOYSA-N 0 0 456.498 4.934 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCCC2)CCS1 ZINC001359748328 1064334042 /nfs/dbraw/zinc/33/40/42/1064334042.db2.gz SVGYKNMCSSUTAD-LJQANCHMSA-N 0 0 450.052 4.921 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)N(C)C)c2)CCS1 ZINC001359748323 1064334111 /nfs/dbraw/zinc/33/41/11/1064334111.db2.gz STFYRUMKMVOTJK-NRFANRHFSA-N 0 0 499.084 4.516 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1 ZINC001434907834 1064334688 /nfs/dbraw/zinc/33/46/88/1064334688.db2.gz RKKPWJFFJRSVOL-UHFFFAOYSA-N 0 0 457.423 4.732 20 0 JJADRN CCC[C@H](NC(=O)c1cn(C)nc1I)c1ccc(Cl)c(Cl)c1 ZINC001434907231 1064334739 /nfs/dbraw/zinc/33/47/39/1064334739.db2.gz ZRLSONMQRBPZRS-ZDUSSCGKSA-N 0 0 452.123 4.603 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(F)F)CCO1 ZINC001359748508 1064335667 /nfs/dbraw/zinc/33/56/67/1064335667.db2.gz XDHRENZTZPNNIN-MRXNPFEDSA-N 0 0 461.326 4.753 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(F)F)CCO1 ZINC001359748507 1064335692 /nfs/dbraw/zinc/33/56/92/1064335692.db2.gz XDHRENZTZPNNIN-INIZCTEOSA-N 0 0 461.326 4.753 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)co1 ZINC001434909443 1064336092 /nfs/dbraw/zinc/33/60/92/1064336092.db2.gz IRPLLAAPLGURNO-UHFFFAOYSA-N 0 0 454.426 4.593 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)cc1 ZINC001434909466 1064336327 /nfs/dbraw/zinc/33/63/27/1064336327.db2.gz JRWNYIRVEHYQCA-UHFFFAOYSA-N 0 0 452.511 4.772 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359749095 1064336153 /nfs/dbraw/zinc/33/61/53/1064336153.db2.gz KGQZXPQUUCSCHC-CTNGQTDRSA-N 0 0 486.686 4.565 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)cc1 ZINC001434911385 1064337560 /nfs/dbraw/zinc/33/75/60/1064337560.db2.gz GCIVYFNMRUFENR-QFIPXVFZSA-N 0 0 450.901 4.782 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC001434912088 1064338344 /nfs/dbraw/zinc/33/83/44/1064338344.db2.gz TZRKFAUCVQKQSA-HSZRJFAPSA-N 0 0 451.567 4.984 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCO2)CCS1 ZINC001359749816 1064338472 /nfs/dbraw/zinc/33/84/72/1064338472.db2.gz ZQKQFTPEDKPNLO-VQIMIIECSA-N 0 0 465.461 4.855 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CCS1 ZINC001359750134 1064338572 /nfs/dbraw/zinc/33/85/72/1064338572.db2.gz GGVJWGMKXROBDB-WOJBJXKFSA-N 0 0 459.660 4.718 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CCS1 ZINC001359750132 1064338686 /nfs/dbraw/zinc/33/86/86/1064338686.db2.gz GGVJWGMKXROBDB-UXHICEINSA-N 0 0 459.660 4.718 20 0 JJADRN Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1NC(=O)c1ccncc1 ZINC001434912547 1064339167 /nfs/dbraw/zinc/33/91/67/1064339167.db2.gz IOGOKNVZSLGLLG-UHFFFAOYSA-N 0 0 451.473 4.607 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CCS1 ZINC001359750712 1064339364 /nfs/dbraw/zinc/33/93/64/1064339364.db2.gz RHHVTVNJCVWJTP-XQBPLPMBSA-N 0 0 484.588 4.548 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(C)(C)C)CCS1 ZINC001359750237 1064339414 /nfs/dbraw/zinc/33/94/14/1064339414.db2.gz IQNCKIYJXKFDRT-IBGZPJMESA-N 0 0 454.644 4.998 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CCS1 ZINC001359750710 1064339433 /nfs/dbraw/zinc/33/94/33/1064339433.db2.gz RHHVTVNJCVWJTP-DXIQSLLYSA-N 0 0 484.588 4.548 20 0 JJADRN CCOc1c(OC)cc(CNC(=O)[C@@H](CC)Cc2cccc(Br)c2)cc1OC ZINC001434913673 1064339854 /nfs/dbraw/zinc/33/98/54/1064339854.db2.gz QYWWSLOBMXKCEJ-KRWDZBQOSA-N 0 0 450.373 4.750 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2cc(Cl)nc(N(C)C)c2)cc1OC ZINC001434913540 1064339870 /nfs/dbraw/zinc/33/98/70/1064339870.db2.gz PXMQDSJMUHJJRB-HXUWFJFHSA-N 0 0 453.970 4.840 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2cc(Cl)nc(N(C)C)c2)cc1OC ZINC001434913531 1064339963 /nfs/dbraw/zinc/33/99/63/1064339963.db2.gz PXMQDSJMUHJJRB-FQEVSTJZSA-N 0 0 453.970 4.840 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCc3ccccc3)c2)CCO1 ZINC001359751718 1064340259 /nfs/dbraw/zinc/34/02/59/1064340259.db2.gz IKUOXECYHRIBRN-QHCPKHFHSA-N 0 0 463.626 4.750 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CCS1 ZINC001359751778 1064340313 /nfs/dbraw/zinc/34/03/13/1064340313.db2.gz JEOYQZIOVLNPTR-SFTDATJTSA-N 0 0 498.615 4.877 20 0 JJADRN Cc1ccc(NC(=O)[C@H](C)c2cccc(Br)c2)cc1NC(=O)CN1CCCCC1 ZINC001434914158 1064340461 /nfs/dbraw/zinc/34/04/61/1064340461.db2.gz AEYDOSAIIWXBGH-QGZVFWFLSA-N 0 0 458.400 4.924 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CCO1 ZINC001359752553 1064340805 /nfs/dbraw/zinc/34/08/05/1064340805.db2.gz VFZALXUKAWSKFP-BDTNDASRSA-N 0 0 473.662 4.610 20 0 JJADRN CCOc1ccc(CCCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1OCC ZINC001434914470 1064341040 /nfs/dbraw/zinc/34/10/40/1064341040.db2.gz BOPXPSOZJUHEHK-UHFFFAOYSA-N 0 0 456.608 4.634 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CCS1 ZINC001359752690 1064341480 /nfs/dbraw/zinc/34/14/80/1064341480.db2.gz WPJQVRCMXUEFNZ-NJYVYQBISA-N 0 0 493.718 4.540 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOc2ccc(F)c(Cl)c2)CCS1 ZINC001359753008 1064341592 /nfs/dbraw/zinc/34/15/92/1064341592.db2.gz AWFSMMFYMVHAKT-OAQYLSRUSA-N 0 0 476.021 4.713 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CCCC1 ZINC001434915120 1064341920 /nfs/dbraw/zinc/34/19/20/1064341920.db2.gz ZNPJNEOTCLGXBT-UHFFFAOYSA-N 0 0 457.615 4.907 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)CCS1 ZINC001359753163 1064342296 /nfs/dbraw/zinc/34/22/96/1064342296.db2.gz DLRVRZMLRLLAMD-HSZRJFAPSA-N 0 0 494.652 4.558 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)CCS1 ZINC001359753164 1064342343 /nfs/dbraw/zinc/34/23/43/1064342343.db2.gz DLRVRZMLRLLAMD-QHCPKHFHSA-N 0 0 494.652 4.558 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1c(Cl)cc(F)cc1Br ZINC001434916063 1064342816 /nfs/dbraw/zinc/34/28/16/1064342816.db2.gz QOWOPSUJUSSZFT-UHFFFAOYSA-N 0 0 457.752 4.683 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)c(F)c2F)CCS1 ZINC001359753423 1064343115 /nfs/dbraw/zinc/34/31/15/1064343115.db2.gz JOYIFYZDAGRHLB-IBGZPJMESA-N 0 0 461.557 4.502 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3cccc(C)c3)c2)cc1 ZINC001434916555 1064343251 /nfs/dbraw/zinc/34/32/51/1064343251.db2.gz JBJLARFCFVPBNT-AREMUKBSSA-N 0 0 458.558 4.964 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)OC(C)(C)C)CCS1 ZINC001359753766 1064343769 /nfs/dbraw/zinc/34/37/69/1064343769.db2.gz PNYIZTBPNIWHFB-HXUWFJFHSA-N 0 0 495.640 4.640 20 0 JJADRN CCOc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c1 ZINC001434917444 1064344160 /nfs/dbraw/zinc/34/41/60/1064344160.db2.gz YYEYWJUPVGUQQQ-IBGZPJMESA-N 0 0 452.576 4.792 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)C(=O)OC(C)(C)C ZINC001434917953 1064344977 /nfs/dbraw/zinc/34/49/77/1064344977.db2.gz PHXVJQQSDZKECM-UHFFFAOYSA-N 0 0 451.567 4.721 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC(=O)NCc2ccccc2)cc1 ZINC001434918023 1064345013 /nfs/dbraw/zinc/34/50/13/1064345013.db2.gz PVBRCHSFWWXVLV-UHFFFAOYSA-N 0 0 452.558 4.538 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1 ZINC001434918878 1064345567 /nfs/dbraw/zinc/34/55/67/1064345567.db2.gz AXGRZYSGBPUQAO-UHFFFAOYSA-N 0 0 457.423 4.730 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)CCS1 ZINC001359754986 1064346339 /nfs/dbraw/zinc/34/63/39/1064346339.db2.gz PWFRXSUPNQWWJV-LJQANCHMSA-N 0 0 470.712 4.838 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccc1 ZINC001434919519 1064346362 /nfs/dbraw/zinc/34/63/62/1064346362.db2.gz DUDJIMZZEGKSBP-DNQXCXABSA-N 0 0 457.542 4.583 20 0 JJADRN CC[C@@H](C(=O)Nc1cc(Br)ccc1Sc1nnnn1C)C1CCC(C)CC1 ZINC001434919950 1064347162 /nfs/dbraw/zinc/34/71/62/1064347162.db2.gz MMXIGAXWPHWNGO-SSDMNJCBSA-N 0 0 452.422 4.915 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2cccs2)CCS1 ZINC001359755502 1064349414 /nfs/dbraw/zinc/34/94/14/1064349414.db2.gz BESWNXYAINVEAC-DUFJIPPSSA-N 0 0 478.728 4.744 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C)CC1 ZINC001359755513 1064349423 /nfs/dbraw/zinc/34/94/23/1064349423.db2.gz BKDQVBRDBSEUIA-CTNGQTDRSA-N 0 0 474.049 4.549 20 0 JJADRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC001434921440 1064349477 /nfs/dbraw/zinc/34/94/77/1064349477.db2.gz RSBNGQITWPIUFR-MRXNPFEDSA-N 0 0 451.880 4.933 20 0 JJADRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC001434921431 1064349774 /nfs/dbraw/zinc/34/97/74/1064349774.db2.gz RSBNGQITWPIUFR-INIZCTEOSA-N 0 0 451.880 4.933 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccn1 ZINC001359755596 1064350163 /nfs/dbraw/zinc/35/01/63/1064350163.db2.gz CLMOYQOATJZEOD-UWJYYQICSA-N 0 0 487.446 4.561 20 0 JJADRN CCc1cc(C(=O)Nc2cc(Br)ccc2-n2cncn2)ccc1Br ZINC001434922005 1064350380 /nfs/dbraw/zinc/35/03/80/1064350380.db2.gz WJOHJUVCVSHQQU-UHFFFAOYSA-N 0 0 450.134 4.607 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)Nc3cc(Br)ccc3-n3cncn3)cc2)c1 ZINC001434921954 1064350525 /nfs/dbraw/zinc/35/05/25/1064350525.db2.gz VLQVETFFOXFIMS-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359755931 1064351792 /nfs/dbraw/zinc/35/17/92/1064351792.db2.gz IXQXYAGUNRUCFC-SJLPKXTDSA-N 0 0 472.939 4.553 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)CCO1 ZINC001359756220 1064352562 /nfs/dbraw/zinc/35/25/62/1064352562.db2.gz NTCHLGVHRGBGSM-PXNSSMCTSA-N 0 0 452.521 4.683 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001359756283 1064353208 /nfs/dbraw/zinc/35/32/08/1064353208.db2.gz ONKQFODVNWIESR-IPZZXCBHSA-N 0 0 497.865 4.629 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001359756402 1064353219 /nfs/dbraw/zinc/35/32/19/1064353219.db2.gz QPFRXJMXLWYFIZ-SKWUIDRYSA-N 0 0 451.384 4.563 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001434925453 1064353592 /nfs/dbraw/zinc/35/35/92/1064353592.db2.gz VHYAVJRLLARMTB-UHFFFAOYSA-N 0 0 451.995 4.988 20 0 JJADRN Cn1nc(I)cc1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001434927141 1064355047 /nfs/dbraw/zinc/35/50/47/1064355047.db2.gz ICKDTKITFLZWNT-UHFFFAOYSA-N 0 0 453.667 4.723 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1cccc(COC3CCCCC3)c1)C2=O ZINC001434928165 1064355214 /nfs/dbraw/zinc/35/52/14/1064355214.db2.gz HYMXRFKUHUGDSP-DWXRJYCRSA-N 0 0 455.599 4.611 20 0 JJADRN O=C(Nc1cccc(COC2CCCCC2)c1)c1cc(Cn2cc(Br)cn2)on1 ZINC001434927571 1064355222 /nfs/dbraw/zinc/35/52/22/1064355222.db2.gz DJBORNGCWAXXQH-UHFFFAOYSA-N 0 0 459.344 4.784 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1 ZINC001359756860 1064355421 /nfs/dbraw/zinc/35/54/21/1064355421.db2.gz ZKILULLCPRRFLI-SUMWQHHRSA-N 0 0 482.473 4.923 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001434929062 1064356417 /nfs/dbraw/zinc/35/64/17/1064356417.db2.gz PHNQLDIBIMGJSP-UHFFFAOYSA-N 0 0 450.663 4.981 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001434929616 1064357079 /nfs/dbraw/zinc/35/70/79/1064357079.db2.gz FTVDUXCBFXAWRQ-FQEVSTJZSA-N 0 0 453.341 4.521 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001359757179 1064357090 /nfs/dbraw/zinc/35/70/90/1064357090.db2.gz DRMIQDIFWVNGTR-AEOUAFIYSA-N 0 0 474.671 4.516 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757512 1064357535 /nfs/dbraw/zinc/35/75/35/1064357535.db2.gz IFCIROYVSVUEDM-GCJKJVERSA-N 0 0 455.990 4.570 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001359757441 1064357734 /nfs/dbraw/zinc/35/77/34/1064357734.db2.gz HQALCOOEQRWGHQ-LXBDKUERSA-N 0 0 462.585 4.784 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001359757534 1064357747 /nfs/dbraw/zinc/35/77/47/1064357747.db2.gz IMDGZJLJSKPBIH-WZONZLPQSA-N 0 0 461.601 4.533 20 0 JJADRN O=C(Nc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1I ZINC001434932050 1064358398 /nfs/dbraw/zinc/35/83/98/1064358398.db2.gz LSWNOXKWYIRNAV-JKSUJKDBSA-N 0 0 460.315 4.918 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 ZINC001359757540 1064358344 /nfs/dbraw/zinc/35/83/44/1064358344.db2.gz IRBPVJJGUIEHOG-MOUZIVPDSA-N 0 0 493.668 4.638 20 0 JJADRN 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O=C(Oc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001434933493 1064360013 /nfs/dbraw/zinc/36/00/13/1064360013.db2.gz AGDBOYXPORLPHX-MOPGFXCFSA-N 0 0 454.375 4.877 20 0 JJADRN O=C(c1cccc(I)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC001434934847 1064360501 /nfs/dbraw/zinc/36/05/01/1064360501.db2.gz YBLHDPVPXCXDLM-UHFFFAOYSA-N 0 0 456.121 4.859 20 0 JJADRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001434934767 1064360599 /nfs/dbraw/zinc/36/05/99/1064360599.db2.gz YMCOZLQRJICAGO-QHAWAJNXSA-N 0 0 456.652 4.839 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1ccn(C)n1 ZINC001359758907 1064361055 /nfs/dbraw/zinc/36/10/55/1064361055.db2.gz ADHIREOCKNECOA-MBSDFSHPSA-N 0 0 452.603 4.693 20 0 JJADRN Cc1sc(Br)c(C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C ZINC001434935146 1064361379 /nfs/dbraw/zinc/36/13/79/1064361379.db2.gz MXTHNNGHWNOCKP-UHFFFAOYSA-N 0 0 458.399 4.521 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCOC1 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Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)c(F)c1 ZINC001434967822 1064383653 /nfs/dbraw/zinc/38/36/53/1064383653.db2.gz NACFYIWNPUMLCV-LJQANCHMSA-N 0 0 456.514 4.943 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H]2CCSC2)c1 ZINC001359764522 1064383928 /nfs/dbraw/zinc/38/39/28/1064383928.db2.gz CPBIZZHXSOJVSQ-QFIPXVFZSA-N 0 0 455.672 4.985 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)ccc1F ZINC001434968477 1064384147 /nfs/dbraw/zinc/38/41/47/1064384147.db2.gz PENMKDWISQYNIG-HXUWFJFHSA-N 0 0 456.514 4.943 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccn3)CC2)c1 ZINC001359764664 1064384355 /nfs/dbraw/zinc/38/43/55/1064384355.db2.gz GSSAZMPHGXHCSS-UHFFFAOYSA-N 0 0 489.668 4.621 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)CC2)c1 ZINC001359764617 1064384438 /nfs/dbraw/zinc/38/44/38/1064384438.db2.gz FVZLWJWRMQEDBY-UHFFFAOYSA-N 0 0 494.665 4.539 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCSC(C)(C)C2)c1 ZINC001359764663 1064384451 /nfs/dbraw/zinc/38/44/51/1064384451.db2.gz GRDBNOUIQGMOGV-OAQYLSRUSA-N 0 0 471.671 4.884 20 0 JJADRN CCc1cccc2c1OCC[C@H]2NC(=O)c1c(Cl)ccc(I)c1F ZINC001434969528 1064385064 /nfs/dbraw/zinc/38/50/64/1064385064.db2.gz ZDDFUVBXBKIOBD-CQSZACIVSA-N 0 0 459.686 4.900 20 0 JJADRN Cn1ncc(Br)c1C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC001434969714 1064385115 /nfs/dbraw/zinc/38/51/15/1064385115.db2.gz XVMDTOWVBIXOIW-UHFFFAOYSA-N 0 0 455.194 4.621 20 0 JJADRN O=C(NCc1ccc2c(c1)CCO2)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001434970451 1064385719 /nfs/dbraw/zinc/38/57/19/1064385719.db2.gz ZXMUMMWZRHXJKL-UHFFFAOYSA-N 0 0 455.358 4.775 20 0 JJADRN CC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1Cl ZINC001434970548 1064385779 /nfs/dbraw/zinc/38/57/79/1064385779.db2.gz QZWGTLBSDSMECN-MRXNPFEDSA-N 0 0 452.979 4.955 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001359765042 1064386088 /nfs/dbraw/zinc/38/60/88/1064386088.db2.gz OOYDOYAFTKEHQB-NRFANRHFSA-N 0 0 482.579 4.778 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC001434971719 1064386626 /nfs/dbraw/zinc/38/66/26/1064386626.db2.gz KTVHKHLRDZHEQY-QGZVFWFLSA-N 0 0 455.490 4.969 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CCC[C@@H]3C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001359765247 1064386723 /nfs/dbraw/zinc/38/67/23/1064386723.db2.gz SQGMFROUFZWBIX-UFHPHHKVSA-N 0 0 497.684 4.976 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)sc1C ZINC001434973163 1064387308 /nfs/dbraw/zinc/38/73/08/1064387308.db2.gz HNYHILTZXMKSMC-SFHVURJKSA-N 0 0 459.568 4.569 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)OC2CCCC2)c1 ZINC001359765333 1064387541 /nfs/dbraw/zinc/38/75/41/1064387541.db2.gz UZZAOXAISXJYRJ-FQEVSTJZSA-N 0 0 455.603 4.515 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC2CC(F)C2)c1 ZINC001359765634 1064388343 /nfs/dbraw/zinc/38/83/43/1064388343.db2.gz ZXMHFIBBYPXNSJ-AOMIVXANSA-N 0 0 457.594 4.737 20 0 JJADRN Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)nn1-c1ccccc1 ZINC001434973793 1064388644 /nfs/dbraw/zinc/38/86/44/1064388644.db2.gz FWVFCDPPDWANRK-LJQANCHMSA-N 0 0 458.349 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(OCc3cscn3)c2)C1 ZINC001434974336 1064388774 /nfs/dbraw/zinc/38/87/74/1064388774.db2.gz LFQNDAYETBNOFV-KRWDZBQOSA-N 0 0 453.511 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(OCc3cscn3)c2)C1 ZINC001434974345 1064389022 /nfs/dbraw/zinc/38/90/22/1064389022.db2.gz LFQNDAYETBNOFV-QGZVFWFLSA-N 0 0 453.511 4.553 20 0 JJADRN CC(C)[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC001434974631 1064389749 /nfs/dbraw/zinc/38/97/49/1064389749.db2.gz GJVQPILIYGLKNI-IBGZPJMESA-N 0 0 451.792 4.778 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC001434975008 1064390729 /nfs/dbraw/zinc/39/07/29/1064390729.db2.gz OIDRGWSDMLAHSH-INIZCTEOSA-N 0 0 459.713 4.811 20 0 JJADRN Cc1ccc(CC(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)s1 ZINC001434976436 1064391166 /nfs/dbraw/zinc/39/11/66/1064391166.db2.gz VLSPRXMSUQPRRK-LJQANCHMSA-N 0 0 458.580 4.794 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001434976494 1064392123 /nfs/dbraw/zinc/39/21/23/1064392123.db2.gz VWOHBQKGOULGAS-NRFANRHFSA-N 0 0 459.315 4.638 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)n1cccc1 ZINC001434976440 1064392211 /nfs/dbraw/zinc/39/22/11/1064392211.db2.gz VMCAQHVPIOEFAT-GOSISDBHSA-N 0 0 455.555 4.634 20 0 JJADRN COc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC001434977995 1064393450 /nfs/dbraw/zinc/39/34/50/1064393450.db2.gz SLBBKZKFJGBXCN-IBGZPJMESA-N 0 0 451.350 4.709 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC001434978045 1064393644 /nfs/dbraw/zinc/39/36/44/1064393644.db2.gz ZTAGKNVPTSQSIM-FQEVSTJZSA-N 0 0 450.366 4.611 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(=O)N(C)C(C)C)ccc3Cl)CCC2=O)cc1C ZINC001434978989 1064395431 /nfs/dbraw/zinc/39/54/31/1064395431.db2.gz PKYXWMALNQSSII-LJQANCHMSA-N 0 0 455.986 4.819 20 0 JJADRN O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC001434980076 1064396287 /nfs/dbraw/zinc/39/62/87/1064396287.db2.gz ZPKNPZWEUXXHAH-UHFFFAOYSA-N 0 0 458.383 4.519 20 0 JJADRN O=C(Nc1ccc2c(c1)CCCO2)c1cccc(Br)c1I ZINC001434980272 1064397214 /nfs/dbraw/zinc/39/72/14/1064397214.db2.gz ZWRJQEUDBMZKGK-UHFFFAOYSA-N 0 0 458.093 4.631 20 0 JJADRN CCc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)c3c2CCC3)cc1 ZINC001434980518 1064397303 /nfs/dbraw/zinc/39/73/03/1064397303.db2.gz UPBDISXROQKRPP-UHFFFAOYSA-N 0 0 457.452 4.738 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC001434981956 1064398878 /nfs/dbraw/zinc/39/88/78/1064398878.db2.gz MLIUBKPIHQEUCA-HXUWFJFHSA-N 0 0 454.998 4.933 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cccc(OCC(F)(F)F)c3)s2)c1 ZINC001434982633 1064398913 /nfs/dbraw/zinc/39/89/13/1064398913.db2.gz XFGJFUCEMIIQGE-UHFFFAOYSA-N 0 0 450.438 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccccc2NC(=O)/C=C\c2ccsc2)CC1 ZINC001434982254 1064398987 /nfs/dbraw/zinc/39/89/87/1064398987.db2.gz PHWVJGUDPOIVML-HJWRWDBZSA-N 0 0 456.564 4.956 20 0 JJADRN CCC[C@@H](OCC)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I ZINC001434984167 1064400405 /nfs/dbraw/zinc/40/04/05/1064400405.db2.gz BHKCKPUQPGQDMP-RTBURBONSA-N 0 0 455.311 4.841 20 0 JJADRN O=C(c1cc(Br)cn2ccnc12)N1CCCc2cc(Br)cc(F)c21 ZINC001434988051 1064404453 /nfs/dbraw/zinc/40/44/53/1064404453.db2.gz KBWRXJACBYEIQL-UHFFFAOYSA-N 0 0 453.109 4.591 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc(F)cc(Br)c1C ZINC001434989186 1064405229 /nfs/dbraw/zinc/40/52/29/1064405229.db2.gz RDCAQUVLRUKWRL-UHFFFAOYSA-N 0 0 452.345 4.613 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccn(-c3ccc(F)cc3C)n2)cc1OC ZINC001434992195 1064407258 /nfs/dbraw/zinc/40/72/58/1064407258.db2.gz YCUPKIXSPFPWPO-OAQYLSRUSA-N 0 0 451.542 4.965 20 0 JJADRN C[C@@H](Sc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001434993682 1064408184 /nfs/dbraw/zinc/40/81/84/1064408184.db2.gz KZEBMSNAPYVNDD-QRWLVFNGSA-N 0 0 456.505 4.515 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)cc2)C[C@H](C)O1 ZINC001434993286 1064408262 /nfs/dbraw/zinc/40/82/62/1064408262.db2.gz WJPZXNASRLQKPQ-ROUUACIJSA-N 0 0 455.986 4.832 20 0 JJADRN Cc1ccccc1CC(=O)N1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001434995336 1064409949 /nfs/dbraw/zinc/40/99/49/1064409949.db2.gz BEKPOAGXVAOFJI-RMKNXTFCSA-N 0 0 450.888 4.594 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001359773076 1064410639 /nfs/dbraw/zinc/41/06/39/1064410639.db2.gz CRTBVLKSNYEAAQ-OAQYLSRUSA-N 0 0 451.537 4.696 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001359773100 1064410900 /nfs/dbraw/zinc/41/09/00/1064410900.db2.gz DRHZYMYSMQJWKT-UHFFFAOYSA-N 0 0 453.528 4.794 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCCS(C)(=O)=O)CC1 ZINC001359773111 1064410995 /nfs/dbraw/zinc/41/09/95/1064410995.db2.gz DVVJWUJKRWUWJF-UHFFFAOYSA-N 0 0 473.470 4.949 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001434996180 1064410989 /nfs/dbraw/zinc/41/09/89/1064410989.db2.gz ISIMBHZIHCZHJH-UHFFFAOYSA-N 0 0 450.470 4.666 20 0 JJADRN CC(C)CC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001359773350 1064411643 /nfs/dbraw/zinc/41/16/43/1064411643.db2.gz MHWCXEGKQLNYLL-MSOLQXFVSA-N 0 0 460.022 4.565 20 0 JJADRN Cc1cc(C(=O)NCc2cccc(OCC(F)F)c2)nn1-c1ccc(Br)cc1 ZINC001434998663 1064413736 /nfs/dbraw/zinc/41/37/36/1064413736.db2.gz UBRCKVXQGKFPSY-UHFFFAOYSA-N 0 0 450.283 4.517 20 0 JJADRN CC(C)CC1(Cn2c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001359774069 1064414609 /nfs/dbraw/zinc/41/46/09/1064414609.db2.gz HMULBLJBAOKFKZ-SFTDATJTSA-N 0 0 472.699 4.832 20 0 JJADRN CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)c(F)c1 ZINC001435000074 1064414663 /nfs/dbraw/zinc/41/46/63/1064414663.db2.gz CSKHFJTZPMARCW-UHFFFAOYSA-N 0 0 456.271 4.690 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2(C)C)CC1 ZINC001359774364 1064415163 /nfs/dbraw/zinc/41/51/63/1064415163.db2.gz PSSVHIAJWRCIFF-IBGZPJMESA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001359774685 1064415246 /nfs/dbraw/zinc/41/52/46/1064415246.db2.gz ZNWNYMXVDMEWED-OAQYLSRUSA-N 0 0 468.646 4.536 20 0 JJADRN CC(C)CC1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001359774787 1064416425 /nfs/dbraw/zinc/41/64/25/1064416425.db2.gz BMVKWLOAGFRIRT-QHAWAJNXSA-N 0 0 475.678 4.736 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1coc(-c2cccs2)n1 ZINC001359774904 1064416547 /nfs/dbraw/zinc/41/65/47/1064416547.db2.gz DWAACYCETOHENG-QGZVFWFLSA-N 0 0 499.662 4.842 20 0 JJADRN CCOc1c(F)cccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC001435002151 1064417114 /nfs/dbraw/zinc/41/71/14/1064417114.db2.gz ZIBFHFGNHOMOJM-UHFFFAOYSA-N 0 0 458.287 4.887 20 0 JJADRN CCC[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001435002363 1064417237 /nfs/dbraw/zinc/41/72/37/1064417237.db2.gz PNONCEGJQGDEBP-FOIQADDNSA-N 0 0 457.514 4.781 20 0 JJADRN O=C(CCNC(=O)Cc1ccccc1)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC001435002599 1064418122 /nfs/dbraw/zinc/41/81/22/1064418122.db2.gz SCOOIHFBSHUYKN-UHFFFAOYSA-N 0 0 453.995 4.952 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)cn2)c1 ZINC001435003550 1064418688 /nfs/dbraw/zinc/41/86/88/1064418688.db2.gz IHQQHKSBXNNDDR-RBUKOAKNSA-N 0 0 457.408 4.614 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCCNC(=O)OC(C)(C)C ZINC001359775803 1064418745 /nfs/dbraw/zinc/41/87/45/1064418745.db2.gz WXXQWTHLHJSOKO-MRXNPFEDSA-N 0 0 451.562 4.867 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1Cc1ncnn1C(C)(C)C ZINC001359776466 1064419718 /nfs/dbraw/zinc/41/97/18/1064419718.db2.gz LDRHRKXVYSJMFP-GOSISDBHSA-N 0 0 492.441 4.781 20 0 JJADRN CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1Cc1ccc(Cl)nc1 ZINC001359776634 1064419774 /nfs/dbraw/zinc/41/97/74/1064419774.db2.gz OZOXYMKBVBGYLW-YOFSQIOKSA-N 0 0 489.064 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)c3ccc(Br)s3)ccc21 ZINC001435004586 1064419753 /nfs/dbraw/zinc/41/97/53/1064419753.db2.gz IGYOWENJEFKAGR-UHFFFAOYSA-N 0 0 451.342 4.630 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCc2cc(Br)ccc2F)C1 ZINC001435004842 1064419776 /nfs/dbraw/zinc/41/97/76/1064419776.db2.gz LCGCOURCJKBFRI-INIZCTEOSA-N 0 0 455.755 4.578 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCCOC1CCCC1 ZINC001359777317 1064420359 /nfs/dbraw/zinc/42/03/59/1064420359.db2.gz GVJLIJJLYNRSQH-UHFFFAOYSA-N 0 0 467.658 4.567 20 0 JJADRN C[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC001435006639 1064421937 /nfs/dbraw/zinc/42/19/37/1064421937.db2.gz NQOPTFNUCSBBHC-GFCCVEGCSA-N 0 0 458.183 4.796 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777985 1064422139 /nfs/dbraw/zinc/42/21/39/1064422139.db2.gz WDROEINQRJCSDP-NRFANRHFSA-N 0 0 483.458 4.788 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359777960 1064422268 /nfs/dbraw/zinc/42/22/68/1064422268.db2.gz VITKAFGAUJODGH-FQEVSTJZSA-N 0 0 476.547 4.713 20 0 JJADRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCc1ccc(Br)cc1 ZINC001435007447 1064422840 /nfs/dbraw/zinc/42/28/40/1064422840.db2.gz YFTUPLWVFUMQCX-KRWDZBQOSA-N 0 0 458.400 4.515 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001359778110 1064422968 /nfs/dbraw/zinc/42/29/68/1064422968.db2.gz ZKGJDJKUXNUVDI-GOSISDBHSA-N 0 0 467.605 4.748 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cc(F)cc(F)c1 ZINC001359778096 1064423052 /nfs/dbraw/zinc/42/30/52/1064423052.db2.gz YRAXNLVNFQGUTP-UHFFFAOYSA-N 0 0 477.600 4.833 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCOc2ccccc21 ZINC001359778032 1064423065 /nfs/dbraw/zinc/42/30/65/1064423065.db2.gz XMPIZMOZEIEMFX-FQEVSTJZSA-N 0 0 483.657 4.879 20 0 JJADRN Cc1nnnn1-c1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)ccc1F ZINC001435008794 1064424540 /nfs/dbraw/zinc/42/45/40/1064424540.db2.gz KQJLTHZBPSGDPT-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN C[C@]1(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)COc2ccccc2O1 ZINC001435008414 1064424599 /nfs/dbraw/zinc/42/45/99/1064424599.db2.gz HMVGBARAHRRGHA-RUZDIDTESA-N 0 0 453.922 4.644 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCc1ccccc1C(F)(F)F ZINC001359778956 1064424551 /nfs/dbraw/zinc/42/45/51/1064424551.db2.gz XYXWVANPZLNKRB-UHFFFAOYSA-N 0 0 481.607 4.533 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359779139 1064424674 /nfs/dbraw/zinc/42/46/74/1064424674.db2.gz DHXMZWSVVJMLCI-DLBZAZTESA-N 0 0 480.556 4.648 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)Cc4ccccc43)cs2)n1C ZINC001435009858 1064425337 /nfs/dbraw/zinc/42/53/37/1064425337.db2.gz YPKWRFNGCARHRB-UHFFFAOYSA-N 0 0 452.580 4.855 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(=O)N(C)Cc1ccccc1 ZINC001359779422 1064425250 /nfs/dbraw/zinc/42/52/50/1064425250.db2.gz MLQXXTZFNVKLFQ-UHFFFAOYSA-N 0 0 490.471 4.596 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435010926 1064425984 /nfs/dbraw/zinc/42/59/84/1064425984.db2.gz RZSMGUXOEZUSKK-SFHVURJKSA-N 0 0 456.955 4.988 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cccc(OC(C)C)c2)n1CCC(=O)N1CCCCCC1 ZINC001359779620 1064426071 /nfs/dbraw/zinc/42/60/71/1064426071.db2.gz SCHWPPDMSVEQLS-UHFFFAOYSA-N 0 0 455.647 4.693 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359779929 1064426856 /nfs/dbraw/zinc/42/68/56/1064426856.db2.gz DDCISOKYYWIHDJ-MRXNPFEDSA-N 0 0 451.562 4.647 20 0 JJADRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(C)cc(I)c1 ZINC001435011202 1064427004 /nfs/dbraw/zinc/42/70/04/1064427004.db2.gz CVOZHRBNKZUJIJ-UHFFFAOYSA-N 0 0 459.711 4.921 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359779923 1064427172 /nfs/dbraw/zinc/42/71/72/1064427172.db2.gz DCFAACJENGYFKS-UHFFFAOYSA-N 0 0 457.594 4.819 20 0 JJADRN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(Br)ncc1Br ZINC001435011720 1064427181 /nfs/dbraw/zinc/42/71/81/1064427181.db2.gz FYLNQGUMLTYGFA-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001435012328 1064427828 /nfs/dbraw/zinc/42/78/28/1064427828.db2.gz KJYYZHSGIJGTLG-IBGZPJMESA-N 0 0 459.512 4.567 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cn1 ZINC001435012124 1064427945 /nfs/dbraw/zinc/42/79/45/1064427945.db2.gz GPBZTOPJSXVQGY-UHFFFAOYSA-N 0 0 455.465 4.634 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359780357 1064429784 /nfs/dbraw/zinc/42/97/84/1064429784.db2.gz SIYHBFODHGOEFL-XIFFEERXSA-N 0 0 479.572 4.507 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359780947 1064430555 /nfs/dbraw/zinc/43/05/55/1064430555.db2.gz OMTGFFSZAWMWAU-UHFFFAOYSA-N 0 0 495.590 4.549 20 0 JJADRN CCS[C@@H](C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)C(C)C ZINC001435014395 1064431643 /nfs/dbraw/zinc/43/16/43/1064431643.db2.gz KPLOEBPXEJNZLF-MRXNPFEDSA-N 0 0 453.368 4.894 20 0 JJADRN CCS[C@H](C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)C(C)C ZINC001435014382 1064431703 /nfs/dbraw/zinc/43/17/03/1064431703.db2.gz KPLOEBPXEJNZLF-INIZCTEOSA-N 0 0 453.368 4.894 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1 ZINC001435014687 1064431726 /nfs/dbraw/zinc/43/17/26/1064431726.db2.gz LWRZSKDWHMNIQP-FQEVSTJZSA-N 0 0 451.588 4.788 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC001435016943 1064433498 /nfs/dbraw/zinc/43/34/98/1064433498.db2.gz HHSFTKAONGUYGB-IAGOWNOFSA-N 0 0 456.505 4.627 20 0 JJADRN Cc1cc(Br)cc2c1N(C(=O)CCCOc1ccc3c(c1)NC(=O)CC3)CCC2 ZINC001435015941 1064433508 /nfs/dbraw/zinc/43/35/08/1064433508.db2.gz QPDRIMSFZFVBSB-UHFFFAOYSA-N 0 0 457.368 4.781 20 0 JJADRN CCOCCCn1c(NC(=O)C(F)(F)c2cccc(Br)c2)nc2ccccc21 ZINC001435017045 1064434238 /nfs/dbraw/zinc/43/42/38/1064434238.db2.gz HITQTSKJKHHFIA-UHFFFAOYSA-N 0 0 452.299 4.956 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001359783104 1064435159 /nfs/dbraw/zinc/43/51/59/1064435159.db2.gz OYXIYZJPARFIGC-OAQYLSRUSA-N 0 0 453.562 4.857 20 0 JJADRN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)c1ocnc1-c1ccccc1 ZINC001435017695 1064435077 /nfs/dbraw/zinc/43/50/77/1064435077.db2.gz KQYJPBIYKQRMHD-UHFFFAOYSA-N 0 0 456.325 4.636 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001435018650 1064435096 /nfs/dbraw/zinc/43/50/96/1064435096.db2.gz MMHKHSKJTJCSMR-UHFFFAOYSA-N 0 0 456.340 4.640 20 0 JJADRN CCCc1ncc(C(=O)Nc2ccc(Br)c(I)c2)s1 ZINC001435018299 1064435229 /nfs/dbraw/zinc/43/52/29/1064435229.db2.gz VOUVMKROINVTHG-UHFFFAOYSA-N 0 0 451.127 4.715 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC001435020125 1064436940 /nfs/dbraw/zinc/43/69/40/1064436940.db2.gz VXUKZPFKPQRNRP-KRWDZBQOSA-N 0 0 450.482 4.680 20 0 JJADRN COc1ccc(F)c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1OC ZINC001435020323 1064436971 /nfs/dbraw/zinc/43/69/71/1064436971.db2.gz XJDPFEBNFHEQFJ-CHWSQXEVSA-N 0 0 456.436 4.728 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@@H]1CSCCS1 ZINC001359784177 1064437072 /nfs/dbraw/zinc/43/70/72/1064437072.db2.gz UHHKHVUKBQRFHB-XJUOHMSHSA-N 0 0 460.713 4.929 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001435020370 1064437585 /nfs/dbraw/zinc/43/75/85/1064437585.db2.gz YVLWSICJHMSXQG-SPYBWZPUSA-N 0 0 458.521 4.871 20 0 JJADRN CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1cccnc1Oc1cccc(F)c1 ZINC001359784373 1064437622 /nfs/dbraw/zinc/43/76/22/1064437622.db2.gz ZLSFRNFSMTUKAA-UHFFFAOYSA-N 0 0 483.588 4.687 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c(Br)c1)[C@@H](C)c1ccccn1 ZINC001435020671 1064437864 /nfs/dbraw/zinc/43/78/64/1064437864.db2.gz WRMWDVOEZNUQAH-HNNXBMFYSA-N 0 0 457.324 4.936 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001359785743 1064438623 /nfs/dbraw/zinc/43/86/23/1064438623.db2.gz YLFIZXXIJUYIEI-KRWDZBQOSA-N 0 0 473.971 4.529 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)CC2CCOCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359786712 1064440680 /nfs/dbraw/zinc/44/06/80/1064440680.db2.gz HEZBSZGECKWRQJ-UHFFFAOYSA-N 0 0 497.684 4.777 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359786823 1064440737 /nfs/dbraw/zinc/44/07/37/1064440737.db2.gz KMNMVRPETNBLKT-OAQYLSRUSA-N 0 0 477.531 4.912 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359786585 1064440791 /nfs/dbraw/zinc/44/07/91/1064440791.db2.gz BQNZUNJYWLJYCW-JOCHJYFZSA-N 0 0 471.646 4.529 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)cc1OCC ZINC001435023364 1064441342 /nfs/dbraw/zinc/44/13/42/1064441342.db2.gz INRRTPAKASVCKC-UHFFFAOYSA-N 0 0 456.926 4.786 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC(=O)Nc1ccc(F)cc1 ZINC001359786960 1064441614 /nfs/dbraw/zinc/44/16/14/1064441614.db2.gz OSSXWVYEXYSQND-FQEVSTJZSA-N 0 0 471.602 4.502 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359787027 1064441637 /nfs/dbraw/zinc/44/16/37/1064441637.db2.gz RNDXSLXTOYFYMW-FQEVSTJZSA-N 0 0 499.647 4.998 20 0 JJADRN O=C(Cn1nnnc1-c1ccsc1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001435025024 1064442039 /nfs/dbraw/zinc/44/20/39/1064442039.db2.gz FZWMBNWTXHYDHJ-UHFFFAOYSA-N 0 0 459.453 4.638 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359787213 1064442118 /nfs/dbraw/zinc/44/21/18/1064442118.db2.gz WMWVRAMGJVVUGP-LJQANCHMSA-N 0 0 463.504 4.717 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@@H](C)c1nccs1 ZINC001359787736 1064443178 /nfs/dbraw/zinc/44/31/78/1064443178.db2.gz MOQTWEIQOWLOBM-OAHLLOKOSA-N 0 0 496.450 4.637 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1CCc1ccsc1 ZINC001359787917 1064443342 /nfs/dbraw/zinc/44/33/42/1064443342.db2.gz RZZSOCICHQWOQP-UHFFFAOYSA-N 0 0 469.474 4.604 20 0 JJADRN C[C@H](CN(C)C(=O)c1ccc(I)c(Br)c1)c1ccccc1 ZINC001435026334 1064443744 /nfs/dbraw/zinc/44/37/44/1064443744.db2.gz AVBCNGXAAIHDOQ-GFCCVEGCSA-N 0 0 458.137 4.929 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(=O)c3cc(Br)c4nccn4c3)c2)cc1 ZINC001435026328 1064443795 /nfs/dbraw/zinc/44/37/95/1064443795.db2.gz ASHUXFLRKIEOBQ-UHFFFAOYSA-N 0 0 450.292 4.877 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359788637 1064443818 /nfs/dbraw/zinc/44/38/18/1064443818.db2.gz GTXXNKFSEMSFNJ-BEFAXECRSA-N 0 0 465.545 4.804 20 0 JJADRN O=C(N(CCc1ccccn1)Cc1ccc(F)cc1)C1(c2cncc(Br)c2)CC1 ZINC001435026475 1064444771 /nfs/dbraw/zinc/44/47/71/1064444771.db2.gz XYZFYYUULJCBDN-UHFFFAOYSA-N 0 0 454.343 4.681 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001359789000 1064444766 /nfs/dbraw/zinc/44/47/66/1064444766.db2.gz ALAYKAKUPYBMCQ-UHFFFAOYSA-N 0 0 452.356 4.575 20 0 JJADRN O=C(c1cnc(-c2ccccc2Cl)s1)N1CCC(n2cc(Br)cn2)CC1 ZINC001359789139 1064444824 /nfs/dbraw/zinc/44/48/24/1064444824.db2.gz CNDLAHOKQVQFPN-UHFFFAOYSA-N 0 0 451.777 4.900 20 0 JJADRN CCC1(C(=O)N[C@@H]2CCc3c2cccc3Br)CCN(C(=O)c2ccccc2)CC1 ZINC001435027915 1064445430 /nfs/dbraw/zinc/44/54/30/1064445430.db2.gz DEHJFBNLKVGHGC-OAQYLSRUSA-N 0 0 455.396 4.885 20 0 JJADRN CCC1(C(=O)N[C@H]2CCc3c2cccc3Br)CCN(C(=O)c2ccccc2)CC1 ZINC001435027913 1064445475 /nfs/dbraw/zinc/44/54/75/1064445475.db2.gz DEHJFBNLKVGHGC-NRFANRHFSA-N 0 0 455.396 4.885 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1sccc1Br ZINC001359789554 1064446452 /nfs/dbraw/zinc/44/64/52/1064446452.db2.gz PORUQWWBKKNMIP-FZMZJTMJSA-N 0 0 467.355 4.505 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3cc(C)nn3-c3ccc(C(F)(F)F)cn3)c2)cc1 ZINC001435028841 1064446533 /nfs/dbraw/zinc/44/65/33/1064446533.db2.gz XVEUFJRSQRTEGQ-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001359790926 1064447385 /nfs/dbraw/zinc/44/73/85/1064447385.db2.gz ZNCJURSJDJJGNQ-JXFKEZNVSA-N 0 0 480.028 4.861 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC001435031255 1064448200 /nfs/dbraw/zinc/44/82/00/1064448200.db2.gz FQWAOVLXDKFTBM-UHFFFAOYSA-N 0 0 458.287 4.973 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc(OC(C)(C)C)cn4)cc32)c1 ZINC001435031359 1064448232 /nfs/dbraw/zinc/44/82/32/1064448232.db2.gz GSUCYWHHBQDRGK-UHFFFAOYSA-N 0 0 459.546 4.652 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)nc1 ZINC001435030559 1064448293 /nfs/dbraw/zinc/44/82/93/1064448293.db2.gz LJYKYDXHWFONSF-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)C(C)(C)c1ccccc1 ZINC001359791047 1064448343 /nfs/dbraw/zinc/44/83/43/1064448343.db2.gz XCPOTYUEHJJUIJ-VQTJNVASSA-N 0 0 450.604 4.822 20 0 JJADRN COc1ccc([C@@H](C)CC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)cc1 ZINC001435031506 1064449189 /nfs/dbraw/zinc/44/91/89/1064449189.db2.gz IUXROUFWEGCSJR-IBGZPJMESA-N 0 0 458.558 4.968 20 0 JJADRN O=C(CCC(=O)Oc1ccc(C(=O)N2CCCC2)cc1)NC(c1ccccc1)c1ccccc1 ZINC001435032472 1064449459 /nfs/dbraw/zinc/44/94/59/1064449459.db2.gz QKRIMSOUENILAQ-UHFFFAOYSA-N 0 0 456.542 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC001435033077 1064449977 /nfs/dbraw/zinc/44/99/77/1064449977.db2.gz ULLKJSHTTIUTEC-QGZVFWFLSA-N 0 0 459.008 4.546 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359792248 1064450257 /nfs/dbraw/zinc/45/02/57/1064450257.db2.gz KTGGHLBCQZZRRJ-LJQANCHMSA-N 0 0 479.591 4.929 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1CCCN1CCCCC1=O ZINC001359793381 1064451106 /nfs/dbraw/zinc/45/11/06/1064451106.db2.gz USECITKYHDHUMQ-GOSISDBHSA-N 0 0 488.474 4.765 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC001435035483 1064451943 /nfs/dbraw/zinc/45/19/43/1064451943.db2.gz YKZUTMRDAZGUCX-UHFFFAOYSA-N 0 0 457.592 4.503 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359793822 1064452007 /nfs/dbraw/zinc/45/20/07/1064452007.db2.gz RLUYMQVPHYPIDQ-FXAWDEMLSA-N 0 0 485.620 4.779 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCC(=O)Nc1ccccc1 ZINC001359793945 1064452032 /nfs/dbraw/zinc/45/20/32/1064452032.db2.gz SHUAEKFCMVFGIU-GHTZIAJQSA-N 0 0 453.612 4.533 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359794349 1064452477 /nfs/dbraw/zinc/45/24/77/1064452477.db2.gz WDFFXJXGDSBJTO-ZBFHGGJFSA-N 0 0 459.582 4.629 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c1 ZINC001359795551 1064454417 /nfs/dbraw/zinc/45/44/17/1064454417.db2.gz LJFDTRCDWSOIHB-UHFFFAOYSA-N 0 0 453.564 4.984 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)ccn1 ZINC001435038270 1064454457 /nfs/dbraw/zinc/45/44/57/1064454457.db2.gz JXTJEYBOZPRSBK-UHFFFAOYSA-N 0 0 454.324 4.658 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 ZINC001435038269 1064454544 /nfs/dbraw/zinc/45/45/44/1064454544.db2.gz BJHRNBZQKYOWJT-UHFFFAOYSA-N 0 0 454.552 4.669 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC001435038344 1064454730 /nfs/dbraw/zinc/45/47/30/1064454730.db2.gz SHJURUPOMIOWAX-GXTWGEPZSA-N 0 0 455.005 4.975 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001435038271 1064454740 /nfs/dbraw/zinc/45/47/40/1064454740.db2.gz DRPXVVLOKXQMSY-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001359796137 1064455493 /nfs/dbraw/zinc/45/54/93/1064455493.db2.gz VENIRYKPJBKXGK-LJQANCHMSA-N 0 0 481.563 4.645 20 0 JJADRN CN(CC(=O)Nc1nc2ccccc2n1CCCc1ccccc1)C(=O)OCc1ccccc1 ZINC001435039944 1064456190 /nfs/dbraw/zinc/45/61/90/1064456190.db2.gz LJCSSDOGMDUIOI-UHFFFAOYSA-N 0 0 456.546 4.876 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001359796902 1064457132 /nfs/dbraw/zinc/45/71/32/1064457132.db2.gz OEJAWLMWELJGGG-HXUWFJFHSA-N 0 0 469.649 4.725 20 0 JJADRN Cn1ncc(Br)c1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001435040627 1064457258 /nfs/dbraw/zinc/45/72/58/1064457258.db2.gz NGIPQQULZLNCPM-UHFFFAOYSA-N 0 0 459.388 4.685 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435041284 1064458048 /nfs/dbraw/zinc/45/80/48/1064458048.db2.gz SFXLNDYYCRJDCC-UHFFFAOYSA-N 0 0 451.939 4.651 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCc1ccc(Cl)s1 ZINC001359796937 1064458076 /nfs/dbraw/zinc/45/80/76/1064458076.db2.gz PFKPZEBFSKASTO-GOSISDBHSA-N 0 0 478.106 4.909 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359797089 1064458127 /nfs/dbraw/zinc/45/81/27/1064458127.db2.gz UIQCAHUDIPIFBL-WPFOTENUSA-N 0 0 473.706 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359797109 1064458796 /nfs/dbraw/zinc/45/87/96/1064458796.db2.gz VBJOWBMNPXAFFH-PMACEKPBSA-N 0 0 471.612 4.929 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001359797092 1064459027 /nfs/dbraw/zinc/45/90/27/1064459027.db2.gz UJGWNTNZERVBJL-QFIPXVFZSA-N 0 0 467.658 4.705 20 0 JJADRN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC001435042286 1064458969 /nfs/dbraw/zinc/45/89/69/1064458969.db2.gz DITQLXSPJPDYOJ-UHFFFAOYSA-N 0 0 453.852 4.532 20 0 JJADRN CN(CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)C(=O)c1cccs1 ZINC001435042998 1064459932 /nfs/dbraw/zinc/45/99/32/1064459932.db2.gz GWOLVIKJHPTSRJ-UHFFFAOYSA-N 0 0 456.877 4.532 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)c1 ZINC001435043432 1064460090 /nfs/dbraw/zinc/46/00/90/1064460090.db2.gz QDBSWXNQENJMNC-UHFFFAOYSA-N 0 0 459.852 4.910 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1F ZINC001359797936 1064460876 /nfs/dbraw/zinc/46/08/76/1064460876.db2.gz BOCPISLOIBESSY-QUCCMNQESA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1cscc1C(F)(F)F ZINC001359798430 1064461299 /nfs/dbraw/zinc/46/12/99/1064461299.db2.gz IUQOUUAAXQNFGT-UHFFFAOYSA-N 0 0 497.509 4.500 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc4c(cc3C2)CCCC4)n1C[C@@](C)(O)CCC(C)C ZINC001545888365 1064462025 /nfs/dbraw/zinc/46/20/25/1064462025.db2.gz IZGBHPUVIHMAGI-LJAQVGFWSA-N 0 0 495.712 4.825 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435045461 1064462082 /nfs/dbraw/zinc/46/20/82/1064462082.db2.gz DPCCOBJGEMTWJA-DYESRHJHSA-N 0 0 456.464 4.839 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359798521 1064462394 /nfs/dbraw/zinc/46/23/94/1064462394.db2.gz KMBZTKZIMKPHAX-HXUWFJFHSA-N 0 0 473.612 4.716 20 0 JJADRN CCN1CCN(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c2ccccc21 ZINC001435047323 1064463814 /nfs/dbraw/zinc/46/38/14/1064463814.db2.gz ZVBXEUNYUBUKJD-UHFFFAOYSA-N 0 0 451.636 4.962 20 0 JJADRN COc1cccc2c1OC[C@@H](NC(=O)c1ccc(-c3ccc(Br)s3)s1)C2 ZINC001435047736 1064463867 /nfs/dbraw/zinc/46/38/67/1064463867.db2.gz XGDXTBJMUUDYAA-LBPRGKRZSA-N 0 0 450.379 4.981 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@]1(O)CCc2ccccc21 ZINC001359798830 1064464021 /nfs/dbraw/zinc/46/40/21/1064464021.db2.gz RBPMOSRGHUHXED-LJQANCHMSA-N 0 0 476.465 4.632 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001359799087 1064464046 /nfs/dbraw/zinc/46/40/46/1064464046.db2.gz ANJIWSFTLDBPSB-AOMKIAJQSA-N 0 0 459.512 4.617 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cccc2cccnc21 ZINC001359798977 1064464063 /nfs/dbraw/zinc/46/40/63/1064464063.db2.gz VFEOJFKJWLEADR-HSZRJFAPSA-N 0 0 461.532 4.603 20 0 JJADRN 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JJADRN CC(C)Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1Cc1cc(Br)cs1 ZINC001359815136 1064494790 /nfs/dbraw/zinc/49/47/90/1064494790.db2.gz FUXPBTNSYFPNFD-UHFFFAOYSA-N 0 0 475.456 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001359815224 1064495496 /nfs/dbraw/zinc/49/54/96/1064495496.db2.gz YHCBKGKETOWROB-LJQANCHMSA-N 0 0 463.573 4.740 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359815276 1064495548 /nfs/dbraw/zinc/49/55/48/1064495548.db2.gz HIVRPROKSHEQCE-PZJWPPBQSA-N 0 0 477.694 4.906 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1NC(=O)Nc1ccccc1 ZINC001435075212 1064497150 /nfs/dbraw/zinc/49/71/50/1064497150.db2.gz VRFUZFHXMBOMLU-FQEVSTJZSA-N 0 0 450.489 4.926 20 0 JJADRN CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001435075316 1064497172 /nfs/dbraw/zinc/49/71/72/1064497172.db2.gz ZYXPQGCIZLQEIV-OAQYLSRUSA-N 0 0 456.633 4.588 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001435075481 1064497262 /nfs/dbraw/zinc/49/72/62/1064497262.db2.gz PHVZYPQLWNWKED-UWJYYQICSA-N 0 0 450.535 4.631 20 0 JJADRN CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001359816104 1064497964 /nfs/dbraw/zinc/49/79/64/1064497964.db2.gz DZDPNVUGLTXIGU-BJMVGYQFSA-N 0 0 455.436 4.691 20 0 JJADRN Cc1cccc2c1O[C@@H](C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001435076063 1064498142 /nfs/dbraw/zinc/49/81/42/1064498142.db2.gz RGSSGELMORSQAP-XZOQPEGZSA-N 0 0 450.579 4.727 20 0 JJADRN C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001435076419 1064499041 /nfs/dbraw/zinc/49/90/41/1064499041.db2.gz PELZFVZFCJDJNQ-CRAIPNDOSA-N 0 0 459.359 4.666 20 0 JJADRN O=C(Oc1cccc(OCC(F)(F)F)c1)c1nn(-c2ccccc2F)cc1Br ZINC001435077899 1064500332 /nfs/dbraw/zinc/50/03/32/1064500332.db2.gz ZXFQOGVZYWUBKW-UHFFFAOYSA-N 0 0 459.193 4.934 20 0 JJADRN C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)nc3)ccc2N1C ZINC001435077725 1064500460 /nfs/dbraw/zinc/50/04/60/1064500460.db2.gz BOYIMOADOCXPAX-CYBMUJFWSA-N 0 0 456.424 4.922 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCSCc1ccccc1 ZINC001359817811 1064500682 /nfs/dbraw/zinc/50/06/82/1064500682.db2.gz LGXWHEUAXXBOEQ-UHFFFAOYSA-N 0 0 487.073 4.901 20 0 JJADRN CCN(C(=O)CCCn1c(=O)oc2ccccc21)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435079111 1064501364 /nfs/dbraw/zinc/50/13/64/1064501364.db2.gz IQGGDELAWCLVCA-DEOSSOPVSA-N 0 0 451.473 4.686 20 0 JJADRN Cc1noc(C)c1CCNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001435079594 1064501569 /nfs/dbraw/zinc/50/15/69/1064501569.db2.gz FJZOYXPSTDIIRT-UHFFFAOYSA-N 0 0 456.568 4.658 20 0 JJADRN Cc1ccc2nc(C(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)cn2c1 ZINC001435080176 1064502022 /nfs/dbraw/zinc/50/20/22/1064502022.db2.gz DNXCWMPROGGJIY-UHFFFAOYSA-N 0 0 452.864 4.804 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)C2)ncn1 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CC(C)COc1ccc(C(C)(C)NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC001435085045 1064505954 /nfs/dbraw/zinc/50/59/54/1064505954.db2.gz FLWZFNRBQBZAPU-UHFFFAOYSA-N 0 0 458.624 4.607 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001359824038 1064506095 /nfs/dbraw/zinc/50/60/95/1064506095.db2.gz DVRZHGOMMVHVON-SFHVURJKSA-N 0 0 459.543 4.859 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)/C=C\c2ccccc2C(F)(F)F)c1 ZINC001435086660 1064506649 /nfs/dbraw/zinc/50/66/49/1064506649.db2.gz ZVXAWGRQYLJNDL-YPKPFQOOSA-N 0 0 453.464 4.849 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c1C ZINC001359824355 1064506740 /nfs/dbraw/zinc/50/67/40/1064506740.db2.gz LJLOMDGMAKLEEO-GOSISDBHSA-N 0 0 459.543 4.859 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC001359824120 1064506829 /nfs/dbraw/zinc/50/68/29/1064506829.db2.gz GKHKDMVWGOBNBD-MAUKXSAKSA-N 0 0 457.646 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccccc3CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359825466 1064507586 /nfs/dbraw/zinc/50/75/86/1064507586.db2.gz HFYACMVAIGNBJH-FQEVSTJZSA-N 0 0 455.647 4.585 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC001435088256 1064507548 /nfs/dbraw/zinc/50/75/48/1064507548.db2.gz ZXUGOGIZCUGUKS-DEOSSOPVSA-N 0 0 454.661 4.967 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC001435092263 1064509415 /nfs/dbraw/zinc/50/94/15/1064509415.db2.gz ZXYCPFRKFOBOLD-QGZVFWFLSA-N 0 0 452.580 4.624 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccccc3Oc3ccccc3C)c(C)c12 ZINC001435093051 1064509662 /nfs/dbraw/zinc/50/96/62/1064509662.db2.gz JPVYDEJDBNWYMI-UHFFFAOYSA-N 0 0 458.562 4.943 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC001435093142 1064509977 /nfs/dbraw/zinc/50/99/77/1064509977.db2.gz LZYQFCSEXDGRED-UHFFFAOYSA-N 0 0 456.589 4.563 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Oc2ccccc2C)cc1 ZINC001435093792 1064510011 /nfs/dbraw/zinc/51/00/11/1064510011.db2.gz SOXDWDZHRHMALT-IBGZPJMESA-N 0 0 452.576 4.794 20 0 JJADRN C[C@H](C(=O)NCc1ccccc1Sc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001435094901 1064510644 /nfs/dbraw/zinc/51/06/44/1064510644.db2.gz JPZFZZFPLPLQPS-SFHVURJKSA-N 0 0 454.617 4.508 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001359829104 1064510711 /nfs/dbraw/zinc/51/07/11/1064510711.db2.gz LTXQTQPWULLDQX-OAQYLSRUSA-N 0 0 453.951 4.990 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435094747 1064510798 /nfs/dbraw/zinc/51/07/98/1064510798.db2.gz HAQPFZYBVMABBA-ICSRJNTNSA-N 0 0 458.624 4.676 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)cc3C(=O)NC3CC3)cs2)cc1 ZINC001435095613 1064511200 /nfs/dbraw/zinc/51/12/00/1064511200.db2.gz WOBYTVAERPTQTG-UHFFFAOYSA-N 0 0 451.548 4.752 20 0 JJADRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001359829269 1064511320 /nfs/dbraw/zinc/51/13/20/1064511320.db2.gz OIGGIWMPFDZQSB-CQSZACIVSA-N 0 0 458.527 4.744 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435096175 1064511596 /nfs/dbraw/zinc/51/15/96/1064511596.db2.gz SJQRKJOGYRHIQD-HXUWFJFHSA-N 0 0 451.394 4.974 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCc2cncc3ccccc32)c2ccc(Cl)cc2)CCO1 ZINC001435097366 1064512370 /nfs/dbraw/zinc/51/23/70/1064512370.db2.gz ZSOLDKCJNKPMNY-XMMPIXPASA-N 0 0 451.998 4.789 20 0 JJADRN CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001435098012 1064512621 /nfs/dbraw/zinc/51/26/21/1064512621.db2.gz LOENVVJCCMSESC-CJNGLKHVSA-N 0 0 459.058 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCc1nccs1 ZINC001359830396 1064513017 /nfs/dbraw/zinc/51/30/17/1064513017.db2.gz IQWMSOQMBPDWQR-LJQANCHMSA-N 0 0 476.691 4.649 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCc1nccs1 ZINC001359830395 1064513150 /nfs/dbraw/zinc/51/31/50/1064513150.db2.gz IQWMSOQMBPDWQR-IBGZPJMESA-N 0 0 476.691 4.649 20 0 JJADRN O=C(NCCc1cccc2ccccc21)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001435098775 1064513199 /nfs/dbraw/zinc/51/31/99/1064513199.db2.gz SZCBXANOXWPJMA-HXUWFJFHSA-N 0 0 452.501 4.652 20 0 JJADRN COc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)c(F)c2)cc1 ZINC001435098875 1064513468 /nfs/dbraw/zinc/51/34/68/1064513468.db2.gz DKPGLHBTHXOXMA-UHFFFAOYSA-N 0 0 454.523 4.537 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC001435099881 1064513669 /nfs/dbraw/zinc/51/36/69/1064513669.db2.gz IBKVJKWZNHWDQQ-JOCHJYFZSA-N 0 0 450.535 4.982 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC001435100245 1064513743 /nfs/dbraw/zinc/51/37/43/1064513743.db2.gz SKSQUOONOQUBPY-UHFFFAOYSA-N 0 0 455.580 4.660 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1C ZINC001435100109 1064513759 /nfs/dbraw/zinc/51/37/59/1064513759.db2.gz KAMYXBLYFYIYKR-UHFFFAOYSA-N 0 0 450.604 4.719 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)N(C(=O)OCc2ccccc2)C1 ZINC001435100428 1064513791 /nfs/dbraw/zinc/51/37/91/1064513791.db2.gz VAIVMUBLBBJTNC-DNVJHFABSA-N 0 0 456.970 4.724 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001435101103 1064514268 /nfs/dbraw/zinc/51/42/68/1064514268.db2.gz SGKRVQQQAAZGKU-OANVXVOSSA-N 0 0 450.969 4.659 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1F ZINC001359831017 1064514347 /nfs/dbraw/zinc/51/43/47/1064514347.db2.gz VUCVGVDEFIULDK-IBGZPJMESA-N 0 0 459.610 4.747 20 0 JJADRN Cc1cc2occ(CC(=O)Nc3cnn(-c4ccccc4S(C)(=O)=O)c3)c2cc1C(C)C ZINC001435101587 1064514910 /nfs/dbraw/zinc/51/49/10/1064514910.db2.gz WEXOUKYWOLOILZ-UHFFFAOYSA-N 0 0 451.548 4.635 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001435102218 1064515044 /nfs/dbraw/zinc/51/50/44/1064515044.db2.gz ZZHWBGFOJHYWLN-CYBMUJFWSA-N 0 0 455.477 4.796 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001435104127 1064515338 /nfs/dbraw/zinc/51/53/38/1064515338.db2.gz WGKKMQFYZRJDSR-NRFANRHFSA-N 0 0 456.539 4.613 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccccc1Cl ZINC001359832188 1064515507 /nfs/dbraw/zinc/51/55/07/1064515507.db2.gz GNCYRLIFAUQKEL-GOSISDBHSA-N 0 0 462.038 4.919 20 0 JJADRN O=C(Nc1cccc(C(=O)Oc2ccc(Br)c(F)c2)c1)[C@@H]1Cc2ccccc2O1 ZINC001435104029 1064515457 /nfs/dbraw/zinc/51/54/57/1064515457.db2.gz ISUYKIAGGZSYDP-FQEVSTJZSA-N 0 0 456.267 4.750 20 0 JJADRN CCCCC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1 ZINC001359831819 1064515600 /nfs/dbraw/zinc/51/56/00/1064515600.db2.gz QAUSPDUJDBYEFL-NHCUHLMSSA-N 0 0 455.603 4.902 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cccc1OCC(F)(F)F ZINC001359832504 1064515847 /nfs/dbraw/zinc/51/58/47/1064515847.db2.gz ZJMJHKAWWHYSMA-ZDUSSCGKSA-N 0 0 452.420 4.767 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359832537 1064515975 /nfs/dbraw/zinc/51/59/75/1064515975.db2.gz LFHXGARGHOHBLW-FQEVSTJZSA-N 0 0 478.641 4.559 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359832538 1064516076 /nfs/dbraw/zinc/51/60/76/1064516076.db2.gz LFHXGARGHOHBLW-HXUWFJFHSA-N 0 0 478.641 4.559 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001359832395 1064516091 /nfs/dbraw/zinc/51/60/91/1064516091.db2.gz JEQDCLILXKNBOJ-CWDLOFLHSA-N 0 0 481.685 4.633 20 0 JJADRN COc1ccc(N(CCC(=O)NCC2(C)CCCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001435105377 1064516181 /nfs/dbraw/zinc/51/61/81/1064516181.db2.gz SNWRWPLMPGKEKF-UHFFFAOYSA-N 0 0 458.624 4.594 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001359832721 1064516520 /nfs/dbraw/zinc/51/65/20/1064516520.db2.gz AZEJDRODEXKYGU-LIRRHRJNSA-N 0 0 452.498 4.748 20 0 JJADRN COc1cc(OC)c(CCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c(OC)c1 ZINC001435107356 1064516559 /nfs/dbraw/zinc/51/65/59/1064516559.db2.gz DLDDOBNZMFHTMY-UHFFFAOYSA-N 0 0 451.306 4.647 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCCc1ccc(Br)cc1F ZINC001435108192 1064517766 /nfs/dbraw/zinc/51/77/66/1064517766.db2.gz DRICEAOSCLJVNG-UHFFFAOYSA-N 0 0 458.353 4.673 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CSc2ccccc2O1 ZINC001435108614 1064518199 /nfs/dbraw/zinc/51/81/99/1064518199.db2.gz NBWVUEOTNUYVHQ-LJQANCHMSA-N 0 0 454.592 4.934 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)COCCc1ccc(Br)cc1 ZINC001435109228 1064518853 /nfs/dbraw/zinc/51/88/53/1064518853.db2.gz GGAAOVZSTWLHQE-UHFFFAOYSA-N 0 0 454.386 4.793 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)Cc1cccc2ncccc12)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109488 1064518888 /nfs/dbraw/zinc/51/88/88/1064518888.db2.gz LHLLSPFEROOFIS-RBTNQOKQSA-N 0 0 457.618 4.790 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359833472 1064519261 /nfs/dbraw/zinc/51/92/61/1064519261.db2.gz YAVDDLOGAZAQGY-IBGZPJMESA-N 0 0 488.746 4.852 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccc(OC(F)F)cc1 ZINC001359833663 1064519573 /nfs/dbraw/zinc/51/95/73/1064519573.db2.gz ZIQDKTWFQICOJK-IBGZPJMESA-N 0 0 477.600 4.505 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cc1C ZINC001359833828 1064519776 /nfs/dbraw/zinc/51/97/76/1064519776.db2.gz NWDIPLUZDSGRSK-NRFANRHFSA-N 0 0 454.983 4.511 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)o1 ZINC001435110546 1064520089 /nfs/dbraw/zinc/52/00/89/1064520089.db2.gz SWFHWAPBSKZDNO-UHFFFAOYSA-N 0 0 457.548 4.833 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCc1cccc(F)c1F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435111498 1064520565 /nfs/dbraw/zinc/52/05/65/1064520565.db2.gz RVLQDIXOSWNCNX-NIYFSFCBSA-N 0 0 456.577 4.910 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359834709 1064520869 /nfs/dbraw/zinc/52/08/69/1064520869.db2.gz JVYIDSJVFNYRGV-CTWPCTMYSA-N 0 0 471.612 4.976 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCc1ccc(Cl)s1 ZINC001359834659 1064520898 /nfs/dbraw/zinc/52/08/98/1064520898.db2.gz IYHYTXRUWOZCNM-MRXNPFEDSA-N 0 0 452.068 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCc1ccccc1Cl ZINC001359834753 1064521205 /nfs/dbraw/zinc/52/12/05/1064521205.db2.gz KOSWNVYBKCSQSI-LJQANCHMSA-N 0 0 457.981 4.955 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001359834809 1064521349 /nfs/dbraw/zinc/52/13/49/1064521349.db2.gz MBFULSRJFXTLRG-GIFXNVAJSA-N 0 0 481.685 4.776 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)CSC(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435113081 1064521330 /nfs/dbraw/zinc/52/13/30/1064521330.db2.gz YOMIOLTZOAXPPO-ABSDTBQOSA-N 0 0 458.590 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCCOc1ccc(F)cc1 ZINC001359835212 1064521741 /nfs/dbraw/zinc/52/17/41/1064521741.db2.gz UQBVKQSYTAYNOC-OAQYLSRUSA-N 0 0 471.552 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2ccccc12 ZINC001359835047 1064521775 /nfs/dbraw/zinc/52/17/75/1064521775.db2.gz QVTHOQLGRSFPOV-FQEVSTJZSA-N 0 0 466.630 4.694 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)CCC1 ZINC001435114134 1064522035 /nfs/dbraw/zinc/52/20/35/1064522035.db2.gz XHFTYJQGLDNLIK-UHFFFAOYSA-N 0 0 453.568 4.772 20 0 JJADRN Cc1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)ccc1C(=O)NC(C)C ZINC001435113477 1064522082 /nfs/dbraw/zinc/52/20/82/1064522082.db2.gz DYLDSUWVXDJGTC-OAQYLSRUSA-N 0 0 457.546 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359835078 1064521979 /nfs/dbraw/zinc/52/19/79/1064521979.db2.gz RNQXMZUSGGYBDX-FQEVSTJZSA-N 0 0 499.656 4.677 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001435114709 1064522563 /nfs/dbraw/zinc/52/25/63/1064522563.db2.gz NSPROLSVWWIFJP-SFHVURJKSA-N 0 0 456.608 4.642 20 0 JJADRN COc1cc(COCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)ccn1 ZINC001435115819 1064523010 /nfs/dbraw/zinc/52/30/10/1064523010.db2.gz ILDHTSAHTQIEAP-UHFFFAOYSA-N 0 0 451.376 4.591 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1CCSCC(F)(F)F ZINC001359835905 1064523209 /nfs/dbraw/zinc/52/32/09/1064523209.db2.gz BVEPMQIXDIZTKL-MRXNPFEDSA-N 0 0 456.534 4.842 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Br)s2)cc1 ZINC001435115225 1064523222 /nfs/dbraw/zinc/52/32/22/1064523222.db2.gz AJJOIKYVYKZFID-UHFFFAOYSA-N 0 0 452.761 4.871 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435115758 1064523554 /nfs/dbraw/zinc/52/35/54/1064523554.db2.gz GONTVGFGWPJVPR-SFHVURJKSA-N 0 0 452.313 4.503 20 0 JJADRN COc1ccc(NC(=O)c2cc(Br)cnc2OCC2CC2)cc1Br ZINC001435116156 1064523585 /nfs/dbraw/zinc/52/35/85/1064523585.db2.gz LMXIGSUZYRDRNG-UHFFFAOYSA-N 0 0 456.134 4.656 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359836393 1064523752 /nfs/dbraw/zinc/52/37/52/1064523752.db2.gz JJJSEFIMOWKFCL-OAQYLSRUSA-N 0 0 471.612 4.536 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1OCC ZINC001359837443 1064524177 /nfs/dbraw/zinc/52/41/77/1064524177.db2.gz FNCWPKIYWQGEHL-QHCPKHFHSA-N 0 0 454.995 4.951 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001435116848 1064524861 /nfs/dbraw/zinc/52/48/61/1064524861.db2.gz ZYDIYDCDFQUKSS-UHFFFAOYSA-N 0 0 458.389 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359838520 1064525373 /nfs/dbraw/zinc/52/53/73/1064525373.db2.gz COLFMTWSULFHAY-OAQYLSRUSA-N 0 0 476.547 4.679 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC001435118647 1064525227 /nfs/dbraw/zinc/52/52/27/1064525227.db2.gz KNEDWDXFGSJATK-UHFFFAOYSA-N 0 0 451.906 4.708 20 0 JJADRN CCS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 ZINC001435118180 1064525350 /nfs/dbraw/zinc/52/53/50/1064525350.db2.gz HNEAENMIFQGMPN-UHFFFAOYSA-N 0 0 452.319 4.622 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1OC ZINC001435119694 1064525980 /nfs/dbraw/zinc/52/59/80/1064525980.db2.gz HUWZANAMZHYHNJ-CYBMUJFWSA-N 0 0 451.420 4.847 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1OC ZINC001435118813 1064526014 /nfs/dbraw/zinc/52/60/14/1064526014.db2.gz BOLMBASMNYXGFU-CQSZACIVSA-N 0 0 453.539 4.873 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1=O ZINC001359839786 1064526472 /nfs/dbraw/zinc/52/64/72/1064526472.db2.gz OREBAYNGHVJKTE-HXUWFJFHSA-N 0 0 458.514 4.523 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545888760 1064527482 /nfs/dbraw/zinc/52/74/82/1064527482.db2.gz XLTGNOMJWFIARC-IAGOWNOFSA-N 0 0 474.049 4.616 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1OC ZINC001435121286 1064527635 /nfs/dbraw/zinc/52/76/35/1064527635.db2.gz SJSURMDWGMFUFP-KRWDZBQOSA-N 0 0 450.510 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC1(CC(C)C)CC1 ZINC001359840867 1064527622 /nfs/dbraw/zinc/52/76/22/1064527622.db2.gz TXSHANWLCRPRSE-UHFFFAOYSA-N 0 0 455.622 4.795 20 0 JJADRN CCc1c(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435122293 1064527915 /nfs/dbraw/zinc/52/79/15/1064527915.db2.gz ZHLIPSAMVLUSMV-HSZRJFAPSA-N 0 0 450.608 4.856 20 0 JJADRN COC[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1cccc(C(F)(F)F)c1 ZINC001435121651 1064528251 /nfs/dbraw/zinc/52/82/51/1064528251.db2.gz WQNVPYXFOZHBDI-OAHLLOKOSA-N 0 0 450.438 4.675 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359841261 1064528596 /nfs/dbraw/zinc/52/85/96/1064528596.db2.gz HZSKZYMHRKOQNG-UHFFFAOYSA-N 0 0 475.685 4.914 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(OCCc3ccccc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435122924 1064529162 /nfs/dbraw/zinc/52/91/62/1064529162.db2.gz DMTQDWJWDDIMCU-XZOQPEGZSA-N 0 0 454.567 4.500 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001435124023 1064529608 /nfs/dbraw/zinc/52/96/08/1064529608.db2.gz AANJZQQFHRDQOL-OALUTQOASA-N 0 0 456.361 4.692 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC001359843023 1064529666 /nfs/dbraw/zinc/52/96/66/1064529666.db2.gz OMAIBWXLBHYLIN-VGOFRKELSA-N 0 0 450.507 4.756 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC001359843025 1064529744 /nfs/dbraw/zinc/52/97/44/1064529744.db2.gz OMAIBWXLBHYLIN-VGSWGCGISA-N 0 0 450.507 4.756 20 0 JJADRN CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359842995 1064529828 /nfs/dbraw/zinc/52/98/28/1064529828.db2.gz IQHYSUHFBBMZRT-OAQYLSRUSA-N 0 0 489.542 4.829 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359844202 1064530330 /nfs/dbraw/zinc/53/03/30/1064530330.db2.gz NMYWUPPWOWYAPN-DEOSSOPVSA-N 0 0 495.071 4.927 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c(Br)cnn2CC)cc1 ZINC001435124976 1064530569 /nfs/dbraw/zinc/53/05/69/1064530569.db2.gz VULOVPURXGJCTR-RBUKOAKNSA-N 0 0 450.377 4.574 20 0 JJADRN O=C(COc1ccc(F)cc1)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC001359845525 1064531433 /nfs/dbraw/zinc/53/14/33/1064531433.db2.gz RBVDVICWTLQBOW-UHFFFAOYSA-N 0 0 459.267 4.930 20 0 JJADRN COc1ccc(Cl)c2c1N(C(=O)c1ccc(S(=O)(=O)Cc3ccccc3)cc1)CCC2 ZINC001359845210 1064531457 /nfs/dbraw/zinc/53/14/57/1064531457.db2.gz LDUJACNBNHOHDI-UHFFFAOYSA-N 0 0 455.963 4.916 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)C1 ZINC001359845012 1064531467 /nfs/dbraw/zinc/53/14/67/1064531467.db2.gz OGJYAANTINCZOL-CALCHBBNSA-N 0 0 454.514 4.562 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359846550 1064532594 /nfs/dbraw/zinc/53/25/94/1064532594.db2.gz BYXVQXFZXATOMO-KRWDZBQOSA-N 0 0 496.027 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359846781 1064533060 /nfs/dbraw/zinc/53/30/60/1064533060.db2.gz JNSQEEJTYKSLEC-LJQANCHMSA-N 0 0 499.656 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001435127583 1064533356 /nfs/dbraw/zinc/53/33/56/1064533356.db2.gz IOUZZICASCTYOE-CYBMUJFWSA-N 0 0 458.443 4.757 20 0 JJADRN COc1cccc(/C=C(/C(=O)Nc2ccc(OCc3ccccc3)cc2C)n2nnnc2C)c1 ZINC001435129866 1064534939 /nfs/dbraw/zinc/53/49/39/1064534939.db2.gz DJVKKPPQVZKQAT-XYGWBWBKSA-N 0 0 455.518 4.514 20 0 JJADRN O=C(CCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001435129256 1064534962 /nfs/dbraw/zinc/53/49/62/1064534962.db2.gz IVFYDISYYSBUAI-CQSZACIVSA-N 0 0 451.926 4.879 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2ccccc2)CC2CCOCC2)C1 ZINC001435129350 1064535095 /nfs/dbraw/zinc/53/50/95/1064535095.db2.gz MDXFAFWIKYJYAV-QHCPKHFHSA-N 0 0 454.998 4.648 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359849352 1064535244 /nfs/dbraw/zinc/53/52/44/1064535244.db2.gz IRZIAOZITSIAPR-KRWDZBQOSA-N 0 0 494.587 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001435131517 1064535921 /nfs/dbraw/zinc/53/59/21/1064535921.db2.gz QVANXVZBFWWUFG-HXUWFJFHSA-N 0 0 453.558 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001359850363 1064536705 /nfs/dbraw/zinc/53/67/05/1064536705.db2.gz QXJHSGRAIGHQLA-QFIPXVFZSA-N 0 0 453.631 4.762 20 0 JJADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1 ZINC001435131754 1064536828 /nfs/dbraw/zinc/53/68/28/1064536828.db2.gz UKTWBQVKGKFSSU-DHZHZOJOSA-N 0 0 457.502 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001359850774 1064537250 /nfs/dbraw/zinc/53/72/50/1064537250.db2.gz WNTHOKXCTPBYQW-QGZVFWFLSA-N 0 0 455.594 4.748 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)CN1c2ccccc2Sc2ccccc21 ZINC001435133557 1064537695 /nfs/dbraw/zinc/53/76/95/1064537695.db2.gz LYRGTXVUEKLZRP-UHFFFAOYSA-N 0 0 452.551 4.982 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)NCCc1cc(Cl)ccc1OC ZINC001435133957 1064537947 /nfs/dbraw/zinc/53/79/47/1064537947.db2.gz LKBUUIFJDVDVNP-UHFFFAOYSA-N 0 0 459.951 4.993 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cc(-c3ccncc3)ccc2C)C1 ZINC001359851094 1064538581 /nfs/dbraw/zinc/53/85/81/1064538581.db2.gz COHSAKOUOFAUPL-YIXXDRMTSA-N 0 0 459.546 4.812 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001435135504 1064538806 /nfs/dbraw/zinc/53/88/06/1064538806.db2.gz DIMSOWSAIUCXRS-RYBIEJRYSA-N 0 0 453.482 4.700 20 0 JJADRN COc1ccc(N(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C(C)C)cc1F ZINC001359851872 1064539062 /nfs/dbraw/zinc/53/90/62/1064539062.db2.gz OADWCBXZEIDAGK-UHFFFAOYSA-N 0 0 450.283 4.977 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@@H](c3oc4ccccc4c3C)C(C)C)CC2=O)c(OC)c1 ZINC001435137809 1064539822 /nfs/dbraw/zinc/53/98/22/1064539822.db2.gz LXAGUZSHIMKNPG-MZNJEOGPSA-N 0 0 450.535 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC(F)(F)c1ccccc1 ZINC001359852738 1064540114 /nfs/dbraw/zinc/54/01/14/1064540114.db2.gz SXKPKWZEKNFLDQ-UHFFFAOYSA-N 0 0 460.960 4.644 20 0 JJADRN COc1ccc(N(C(=O)CCOc2ccccc2I)C(C)C)cc1F ZINC001359852666 1064540222 /nfs/dbraw/zinc/54/02/22/1064540222.db2.gz YMNDTUIDCCRWHS-UHFFFAOYSA-N 0 0 457.283 4.649 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001435138485 1064540319 /nfs/dbraw/zinc/54/03/19/1064540319.db2.gz STJBPFHJZBNXCN-RTWAWAEBSA-N 0 0 456.533 4.682 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@H](OCC1CCCC1)c1ccccc1 ZINC001435139810 1064541019 /nfs/dbraw/zinc/54/10/19/1064541019.db2.gz PYNKRDDCWGSJEX-LADGPHEKSA-N 0 0 457.592 4.526 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001359853869 1064541302 /nfs/dbraw/zinc/54/13/02/1064541302.db2.gz NNKIAQNNMVQUNF-UHFFFAOYSA-N 0 0 492.455 4.839 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359853922 1064541345 /nfs/dbraw/zinc/54/13/45/1064541345.db2.gz PIMVRJSKMWUTRJ-DEOSSOPVSA-N 0 0 495.499 4.836 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2csc(-c3ccccc3F)n2)cc1OC ZINC001359853779 1064541435 /nfs/dbraw/zinc/54/14/35/1064541435.db2.gz GEYJFIRMZYSLIH-UHFFFAOYSA-N 0 0 451.317 4.659 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001435140825 1064541487 /nfs/dbraw/zinc/54/14/87/1064541487.db2.gz BGFFTBAKVISRDS-GMKZXUHWSA-N 0 0 458.643 4.589 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCCO[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001435140826 1064541533 /nfs/dbraw/zinc/54/15/33/1064541533.db2.gz BGFFTBAKVISRDS-JRFVFWCSSA-N 0 0 458.643 4.589 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nc1 ZINC001359854890 1064541863 /nfs/dbraw/zinc/54/18/63/1064541863.db2.gz UYBTXTRUQLEPAY-UHFFFAOYSA-N 0 0 451.567 4.877 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)CC1 ZINC001435141687 1064541827 /nfs/dbraw/zinc/54/18/27/1064541827.db2.gz CZYUMIHKNJVTJV-HNNXBMFYSA-N 0 0 451.355 4.910 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c1 ZINC001435141239 1064541960 /nfs/dbraw/zinc/54/19/60/1064541960.db2.gz DWRKAGFRPCTXAO-GOSISDBHSA-N 0 0 452.938 4.660 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC001435142066 1064542527 /nfs/dbraw/zinc/54/25/27/1064542527.db2.gz JJFAAKAVGXKFBE-OAQYLSRUSA-N 0 0 452.620 4.538 20 0 JJADRN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cnn1-c1ccc(F)cc1 ZINC001435142384 1064542684 /nfs/dbraw/zinc/54/26/84/1064542684.db2.gz HSSBUHVTRBVLIL-UHFFFAOYSA-N 0 0 456.562 4.716 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001435142840 1064543022 /nfs/dbraw/zinc/54/30/22/1064543022.db2.gz MKBVPUQURPCCBF-GBXCKJPGSA-N 0 0 454.636 4.615 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001435142585 1064543033 /nfs/dbraw/zinc/54/30/33/1064543033.db2.gz KANXWXPNODZEHN-CDPNLFKUSA-N 0 0 452.595 4.890 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001435142550 1064543113 /nfs/dbraw/zinc/54/31/13/1064543113.db2.gz JMNYKRBBSXIIOO-GMAHTHKFSA-N 0 0 450.579 4.687 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1F ZINC001435143039 1064543508 /nfs/dbraw/zinc/54/35/08/1064543508.db2.gz TVEVHJVCWGOFAN-SSEXGKCCSA-N 0 0 459.852 4.732 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435143068 1064543671 /nfs/dbraw/zinc/54/36/71/1064543671.db2.gz VTJYCCRUMKUKCC-UHFFFAOYSA-N 0 0 451.526 4.989 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC001435143311 1064543782 /nfs/dbraw/zinc/54/37/82/1064543782.db2.gz MLAWDBAJIOQUTM-DFBJGRDBSA-N 0 0 458.549 4.549 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cc1 ZINC001359857176 1064544077 /nfs/dbraw/zinc/54/40/77/1064544077.db2.gz RXPUWRMNXWYUEO-UHFFFAOYSA-N 0 0 454.567 4.827 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3CC)CC2)cc1 ZINC001435143776 1064544105 /nfs/dbraw/zinc/54/41/05/1064544105.db2.gz ZJYVLPVGINLZEA-JOCHJYFZSA-N 0 0 450.623 4.663 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC001435143677 1064544252 /nfs/dbraw/zinc/54/42/52/1064544252.db2.gz CNPSXSXCYOAWHA-MRXNPFEDSA-N 0 0 451.514 4.603 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)Cc2ccccc2S(=O)(=O)CC)cc1 ZINC001359857664 1064544649 /nfs/dbraw/zinc/54/46/49/1064544649.db2.gz CAVVYKQPMOHTJR-AREMUKBSSA-N 0 0 450.604 4.618 20 0 JJADRN CC(C)Cn1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1=O ZINC001435144621 1064544814 /nfs/dbraw/zinc/54/48/14/1064544814.db2.gz JRTRFNPSUKIGHF-UHFFFAOYSA-N 0 0 457.530 4.775 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359857731 1064544841 /nfs/dbraw/zinc/54/48/41/1064544841.db2.gz FGHMAMUKICTPAD-UHFFFAOYSA-N 0 0 496.578 4.671 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC001435145084 1064545188 /nfs/dbraw/zinc/54/51/88/1064545188.db2.gz VMYMHVJLXLPAKH-JOCHJYFZSA-N 0 0 457.496 4.987 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1 ZINC001435145166 1064545225 /nfs/dbraw/zinc/54/52/25/1064545225.db2.gz NZNTVQDKKJKRTP-UHFFFAOYSA-N 0 0 457.948 4.918 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001359858125 1064545390 /nfs/dbraw/zinc/54/53/90/1064545390.db2.gz KKMALFHGKPXYEO-IAGOWNOFSA-N 0 0 473.971 4.670 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001435145082 1064545242 /nfs/dbraw/zinc/54/52/42/1064545242.db2.gz VLKZOGOBFAHVGH-HNNXBMFYSA-N 0 0 455.318 4.916 20 0 JJADRN COCCOc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001435144726 1064545331 /nfs/dbraw/zinc/54/53/31/1064545331.db2.gz KZANVCQGVPVGKH-UHFFFAOYSA-N 0 0 458.514 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001435144671 1064545461 /nfs/dbraw/zinc/54/54/61/1064545461.db2.gz XDLDSFHCQAQUBI-UHFFFAOYSA-N 0 0 456.505 4.866 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)s2)cc1 ZINC001435145022 1064545477 /nfs/dbraw/zinc/54/54/77/1064545477.db2.gz ZPTBFUZQPUYQLS-UHFFFAOYSA-N 0 0 459.612 4.989 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC001435145645 1064545678 /nfs/dbraw/zinc/54/56/78/1064545678.db2.gz YNZKRPAYEYRHCW-GFCCVEGCSA-N 0 0 458.219 4.792 20 0 JJADRN C[C@@H]1CCn2cc(C(=O)N(c3ccccc3F)C3CCN(C(=O)OC(C)(C)C)CC3)nc2C1 ZINC001435145643 1064545707 /nfs/dbraw/zinc/54/57/07/1064545707.db2.gz ACBHVNBFMYDMGE-QGZVFWFLSA-N 0 0 456.562 4.651 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359858917 1064545780 /nfs/dbraw/zinc/54/57/80/1064545780.db2.gz XOPZQEADWYWFMP-IBGZPJMESA-N 0 0 467.580 4.752 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCN([C@@H](C)c4ccc(Br)cc4)CC3)on2)cc1 ZINC001435145512 1064545820 /nfs/dbraw/zinc/54/58/20/1064545820.db2.gz XSYVBKKJFXMKLA-KRWDZBQOSA-N 0 0 454.368 4.932 20 0 JJADRN CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858388 1064545975 /nfs/dbraw/zinc/54/59/75/1064545975.db2.gz LQNVCBIDFXEWIZ-SANMLTNESA-N 0 0 455.558 4.829 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC001359858790 1064546121 /nfs/dbraw/zinc/54/61/21/1064546121.db2.gz RANLNXNSOALWAL-NDEPHWFRSA-N 0 0 457.574 4.788 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)c3cc(C)c(OCC(=O)N4CCCCC4)c(C)c3)cc2)n1 ZINC001435145801 1064546438 /nfs/dbraw/zinc/54/64/38/1064546438.db2.gz UWATWLPWBTYWFT-UHFFFAOYSA-N 0 0 458.562 4.712 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001359858936 1064546636 /nfs/dbraw/zinc/54/66/36/1064546636.db2.gz XREZOHMMMYQZPB-FQEVSTJZSA-N 0 0 467.555 4.693 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1-n1cncn1 ZINC001435147292 1064547447 /nfs/dbraw/zinc/54/74/47/1064547447.db2.gz FWNHMRHVEYJFTA-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CC1 ZINC001435147379 1064547465 /nfs/dbraw/zinc/54/74/65/1064547465.db2.gz GAWZNPPTMDTLMK-GOSISDBHSA-N 0 0 455.471 4.952 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(I)c(Cl)c1)c1ccccc1 ZINC001435148752 1064548524 /nfs/dbraw/zinc/54/85/24/1064548524.db2.gz NFOZRHKGCKBGGP-INIZCTEOSA-N 0 0 457.695 4.543 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001359859856 1064548890 /nfs/dbraw/zinc/54/88/90/1064548890.db2.gz HTRCOFJHHXGSIC-OAQYLSRUSA-N 0 0 452.530 4.626 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001435149251 1064549290 /nfs/dbraw/zinc/54/92/90/1064549290.db2.gz NDQBAOGLQGGTBS-YJBOKZPZSA-N 0 0 451.792 4.997 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001435149248 1064549444 /nfs/dbraw/zinc/54/94/44/1064549444.db2.gz NDQBAOGLQGGTBS-CRAIPNDOSA-N 0 0 451.792 4.997 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3cc4cc(Br)cnc4n3C)cc2)c1 ZINC001435150632 1064550303 /nfs/dbraw/zinc/55/03/03/1064550303.db2.gz YOCGIUIPVFBTOS-UHFFFAOYSA-N 0 0 450.336 4.941 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001359861352 1064551145 /nfs/dbraw/zinc/55/11/45/1064551145.db2.gz SMARTMQBRLEKRQ-IBGZPJMESA-N 0 0 474.074 4.981 20 0 JJADRN COc1ccc(COC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(OC(F)F)c1 ZINC001435152136 1064551720 /nfs/dbraw/zinc/55/17/20/1064551720.db2.gz GBCKAPVJBIAIMF-UHFFFAOYSA-N 0 0 453.445 4.911 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359861376 1064551773 /nfs/dbraw/zinc/55/17/73/1064551773.db2.gz TVFKVEVXLSNHAM-UHFFFAOYSA-N 0 0 493.599 4.850 20 0 JJADRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC001435153570 1064552140 /nfs/dbraw/zinc/55/21/40/1064552140.db2.gz LHZCCOAZRZEMSY-INIZCTEOSA-N 0 0 453.507 4.627 20 0 JJADRN COc1cc(N(C)C(=O)CSc2cc(C)c(Br)cc2C)cc(OC)c1OC ZINC001435153015 1064552188 /nfs/dbraw/zinc/55/21/88/1064552188.db2.gz BUDOSEWVPPRLOO-UHFFFAOYSA-N 0 0 454.386 4.847 20 0 JJADRN COc1ccc(COC(=O)c2cn(-c3ccc(Br)cc3)cn2)c(OC(F)F)c1 ZINC001435153978 1064552305 /nfs/dbraw/zinc/55/23/05/1064552305.db2.gz ZSZPEQPMVAHERI-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN O=C(Nc1ccc(I)cn1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001435155079 1064552538 /nfs/dbraw/zinc/55/25/38/1064552538.db2.gz UAVDEFIWLNSDLD-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)c(F)c3)cs2)cc1OC ZINC001435154773 1064552815 /nfs/dbraw/zinc/55/28/15/1064552815.db2.gz SLRZUJOGILDGSN-UHFFFAOYSA-N 0 0 451.317 4.910 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1 ZINC001435155224 1064553245 /nfs/dbraw/zinc/55/32/45/1064553245.db2.gz MUZWEQYDQZUUOJ-UPNLOYSTSA-N 0 0 456.999 4.843 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC001435155400 1064553312 /nfs/dbraw/zinc/55/33/12/1064553312.db2.gz NWHFXACACMQSBA-IQVOZAENSA-N 0 0 452.979 4.635 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359864310 1064553972 /nfs/dbraw/zinc/55/39/72/1064553972.db2.gz JZOSIDFLYOIYMY-OAQYLSRUSA-N 0 0 457.619 4.733 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001435157483 1064554170 /nfs/dbraw/zinc/55/41/70/1064554170.db2.gz MZTMVLSECXEMNT-HEIROHQZSA-N 0 0 454.498 4.545 20 0 JJADRN O=C(Nc1cccc(OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)c1ccco1 ZINC001435156963 1064554306 /nfs/dbraw/zinc/55/43/06/1064554306.db2.gz IGNYNRFPSPWGLF-KRWDZBQOSA-N 0 0 452.894 4.643 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)CC2)c1 ZINC001359864954 1064554733 /nfs/dbraw/zinc/55/47/33/1064554733.db2.gz HSVIWDSAUMMNRH-UHFFFAOYSA-N 0 0 459.377 4.895 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC001435158520 1064554877 /nfs/dbraw/zinc/55/48/77/1064554877.db2.gz UBMHAJZVVXIGEQ-PMERELPUSA-N 0 0 455.601 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359865030 1064554840 /nfs/dbraw/zinc/55/48/40/1064554840.db2.gz ASBWSCXIJVZJQM-FQEVSTJZSA-N 0 0 493.599 4.636 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359865032 1064554896 /nfs/dbraw/zinc/55/48/96/1064554896.db2.gz ASBWSCXIJVZJQM-HXUWFJFHSA-N 0 0 493.599 4.636 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c(Br)s1 ZINC001435159473 1064555351 /nfs/dbraw/zinc/55/53/51/1064555351.db2.gz WPOVODUCAYHLNV-IBGZPJMESA-N 0 0 457.393 4.823 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001435159657 1064555667 /nfs/dbraw/zinc/55/56/67/1064555667.db2.gz NPBAHEXKOXITCE-UHFFFAOYSA-N 0 0 459.449 4.579 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(Cl)c(I)c1 ZINC001435159564 1064555694 /nfs/dbraw/zinc/55/56/94/1064555694.db2.gz CUMIFZOITBCIAB-SFHVURJKSA-N 0 0 455.723 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC001435160236 1064555877 /nfs/dbraw/zinc/55/58/77/1064555877.db2.gz GOURHDCKPORCPG-NMEJYPJZSA-N 0 0 458.571 4.565 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccccn2)cc1 ZINC001435160374 1064556238 /nfs/dbraw/zinc/55/62/38/1064556238.db2.gz HQNRDJDGYMCJJA-SHQCIBLASA-N 0 0 455.602 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1Cc1ccsc1 ZINC001359865897 1064556487 /nfs/dbraw/zinc/55/64/87/1064556487.db2.gz KCSNBBYIXPEUJJ-IBGZPJMESA-N 0 0 461.429 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435160978 1064556767 /nfs/dbraw/zinc/55/67/67/1064556767.db2.gz AJWHTBCDLKCZHZ-XCLFUZPHSA-N 0 0 479.400 4.696 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001435161428 1064556908 /nfs/dbraw/zinc/55/69/08/1064556908.db2.gz BPNKEZIFVDJPBO-JZXOWHBKSA-N 0 0 453.421 4.874 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 ZINC001435161260 1064556949 /nfs/dbraw/zinc/55/69/49/1064556949.db2.gz NDOFQPINKIEOGN-PMERELPUSA-N 0 0 459.589 4.553 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001435161427 1064556985 /nfs/dbraw/zinc/55/69/85/1064556985.db2.gz BPNKEZIFVDJPBO-JFIYKMOQSA-N 0 0 453.421 4.874 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC001435161876 1064557254 /nfs/dbraw/zinc/55/72/54/1064557254.db2.gz QFBBDGSEFPZBAH-YTTGMZPUSA-N 0 0 456.608 4.721 20 0 JJADRN CC(C)C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)OC(C)C ZINC001435161441 1064557492 /nfs/dbraw/zinc/55/74/92/1064557492.db2.gz JMHCWHRCJBHKHA-KRWDZBQOSA-N 0 0 451.361 4.519 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001359866393 1064557603 /nfs/dbraw/zinc/55/76/03/1064557603.db2.gz QLBSNPWKRXYIGY-NRFANRHFSA-N 0 0 489.451 4.871 20 0 JJADRN CC[C@H](NC(=O)CCc1cnn(C)c1)c1ccccc1OCc1ccccc1Br ZINC001435162205 1064557821 /nfs/dbraw/zinc/55/78/21/1064557821.db2.gz FCKPHGHFNWRTHV-NRFANRHFSA-N 0 0 456.384 4.962 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC001435162637 1064558883 /nfs/dbraw/zinc/55/88/83/1064558883.db2.gz NMDVYHIPIQBTFL-UHFFFAOYSA-N 0 0 458.580 4.650 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1C[C@H]1CC[C@H](F)C1 ZINC001359867450 1064559179 /nfs/dbraw/zinc/55/91/79/1064559179.db2.gz BQHYLUNVSLPZEX-QRFRQXIXSA-N 0 0 452.521 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359868023 1064559754 /nfs/dbraw/zinc/55/97/54/1064559754.db2.gz HDDATHDVIBGQBZ-OAQYLSRUSA-N 0 0 477.506 4.850 20 0 JJADRN CNC(=O)Cn1ccc2ccc(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)cc21 ZINC001435164848 1064560514 /nfs/dbraw/zinc/56/05/14/1064560514.db2.gz DEHVPIYOOYVIRP-UHFFFAOYSA-N 0 0 450.539 4.566 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)CCc2cc(Br)c(Br)s2)cc1 ZINC001435164704 1064560570 /nfs/dbraw/zinc/56/05/70/1064560570.db2.gz BXBFYUAKCZQYKV-NRFANRHFSA-N 0 0 451.205 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359868407 1064560594 /nfs/dbraw/zinc/56/05/94/1064560594.db2.gz KXNVHCYFXBMIND-VXKWHMMOSA-N 0 0 489.636 4.743 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359868946 1064561267 /nfs/dbraw/zinc/56/12/67/1064561267.db2.gz PQTMCDNYBUPRQZ-HXUWFJFHSA-N 0 0 478.037 4.575 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359868813 1064561330 /nfs/dbraw/zinc/56/13/30/1064561330.db2.gz OGIWMYMOCINWDX-OAQYLSRUSA-N 0 0 492.064 4.965 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359869309 1064561638 /nfs/dbraw/zinc/56/16/38/1064561638.db2.gz VXCYHNSGQNSQOK-GHTZIAJQSA-N 0 0 492.064 4.869 20 0 JJADRN CS[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001435166045 1064561709 /nfs/dbraw/zinc/56/17/09/1064561709.db2.gz SELCAQKEOFQHDH-AEFFLSMTSA-N 0 0 456.612 4.956 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359869246 1064561860 /nfs/dbraw/zinc/56/18/60/1064561860.db2.gz VBGIELKHUIOWNV-HXUWFJFHSA-N 0 0 496.027 4.714 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC001435167446 1064562588 /nfs/dbraw/zinc/56/25/88/1064562588.db2.gz DDLQJQDUZMKMOQ-UHFFFAOYSA-N 0 0 457.271 4.937 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(CNC(=O)OC(C)C)cc3)cs2)cc1 ZINC001435167607 1064563259 /nfs/dbraw/zinc/56/32/59/1064563259.db2.gz GASKATFFTWNRSA-UHFFFAOYSA-N 0 0 453.564 4.846 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)cc1)c1ccc(F)cc1 ZINC001359872138 1064563203 /nfs/dbraw/zinc/56/32/03/1064563203.db2.gz DPZXIEWGJDOWIX-HXUWFJFHSA-N 0 0 456.832 4.969 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359872641 1064563838 /nfs/dbraw/zinc/56/38/38/1064563838.db2.gz DXFCIBUWBNOKHV-BBWFWOEESA-N 0 0 459.557 4.874 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359873745 1064564283 /nfs/dbraw/zinc/56/42/83/1064564283.db2.gz QLWZVDMKXOQOEU-GUDVDZBRSA-N 0 0 463.692 4.596 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 ZINC001435168595 1064564294 /nfs/dbraw/zinc/56/42/94/1064564294.db2.gz JSFFKNWVYIQHRA-UHFFFAOYSA-N 0 0 453.564 4.943 20 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ZINC001359880775 1064573863 /nfs/dbraw/zinc/57/38/63/1064573863.db2.gz IWHNUXJTLQOVPG-RYQLBKOJSA-N 0 0 453.414 4.664 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001359880247 1064573936 /nfs/dbraw/zinc/57/39/36/1064573936.db2.gz DGKVANUFCRCKHI-HXUWFJFHSA-N 0 0 467.017 4.525 20 0 JJADRN O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435183809 1064573955 /nfs/dbraw/zinc/57/39/55/1064573955.db2.gz JDOHGKDASANSFP-QPPBQGQZSA-N 0 0 454.998 4.793 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001435184191 1064574190 /nfs/dbraw/zinc/57/41/90/1064574190.db2.gz MBVRBDSAXGGBJB-WOJBJXKFSA-N 0 0 459.546 4.500 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359880963 1064574207 /nfs/dbraw/zinc/57/42/07/1064574207.db2.gz KWHFKXAAYWZNIS-HXUWFJFHSA-N 0 0 481.044 4.810 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)C1 ZINC001359881041 1064574237 /nfs/dbraw/zinc/57/42/37/1064574237.db2.gz LUUNNCDSRNGCNY-MRXNPFEDSA-N 0 0 454.493 4.515 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC001435184870 1064574506 /nfs/dbraw/zinc/57/45/06/1064574506.db2.gz MWPIJCDODSWVQE-LBPRGKRZSA-N 0 0 456.369 4.723 20 0 JJADRN CSc1ncc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1-c1ccccc1 ZINC001435184879 1064574683 /nfs/dbraw/zinc/57/46/83/1064574683.db2.gz NXHXGBVLADIHFY-QGZVFWFLSA-N 0 0 457.559 4.733 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c2ccccc2O1 ZINC001435185145 1064574745 /nfs/dbraw/zinc/57/47/45/1064574745.db2.gz MGCDGUWKVGCSQE-MRXNPFEDSA-N 0 0 456.951 4.593 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(Br)c(C)c2)CCCCC1 ZINC001359881369 1064575156 /nfs/dbraw/zinc/57/51/56/1064575156.db2.gz QEAXKBOBZSVNDV-OAQYLSRUSA-N 0 0 458.396 4.860 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC001435185787 1064575122 /nfs/dbraw/zinc/57/51/22/1064575122.db2.gz QLKPXYYZORCFFL-DNQXCXABSA-N 0 0 452.595 4.895 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccccc1 ZINC001435185791 1064575281 /nfs/dbraw/zinc/57/52/81/1064575281.db2.gz QLKPXYYZORCFFL-ZEQRLZLVSA-N 0 0 452.595 4.895 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001359881587 1064575511 /nfs/dbraw/zinc/57/55/11/1064575511.db2.gz SPFAGFJWLJASKB-YTMAHBJJSA-N 0 0 451.469 4.729 20 0 JJADRN CC(C)C[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)OCc1ccccc1 ZINC001435186360 1064575604 /nfs/dbraw/zinc/57/56/04/1064575604.db2.gz UFMGDNKPIYQCAL-VWLOTQADSA-N 0 0 458.558 4.851 20 0 JJADRN C[C@@]1(C(=O)NCCCO[C@H]2CCCc3ccccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001435185974 1064575769 /nfs/dbraw/zinc/57/57/69/1064575769.db2.gz PHCLILOTGYIRHD-RPLLCQBOSA-N 0 0 450.579 4.636 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2nccc3cccnc32)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435186719 1064576220 /nfs/dbraw/zinc/57/62/20/1064576220.db2.gz YJMFFLNVZSXBEV-UHFFFAOYSA-N 0 0 450.420 4.831 20 0 JJADRN O=C(Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccnn1CC1CCC1 ZINC001435186777 1064576314 /nfs/dbraw/zinc/57/63/14/1064576314.db2.gz ZUDHISDMGFVHSY-UHFFFAOYSA-N 0 0 456.468 4.884 20 0 JJADRN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001359881934 1064576323 /nfs/dbraw/zinc/57/63/23/1064576323.db2.gz XSHBFRZMADWBHS-UHFFFAOYSA-N 0 0 459.271 4.698 20 0 JJADRN Cc1ccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1NC(=O)c1ccccc1 ZINC001435187130 1064576682 /nfs/dbraw/zinc/57/66/82/1064576682.db2.gz SRFWEKBGAUAHFE-AREMUKBSSA-N 0 0 453.583 4.917 20 0 JJADRN CC(C)c1nc(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)nn1-c1ccccc1F ZINC001435187449 1064576830 /nfs/dbraw/zinc/57/68/30/1064576830.db2.gz WOWLNYNBJPNCNK-UHFFFAOYSA-N 0 0 451.546 4.812 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC(F)F)C1 ZINC001359882390 1064576692 /nfs/dbraw/zinc/57/66/92/1064576692.db2.gz ARTVDJWNBZUCPH-IBGZPJMESA-N 0 0 455.553 4.980 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001359882727 1064576818 /nfs/dbraw/zinc/57/68/18/1064576818.db2.gz CCVQBFHLPUASCF-UHFFFAOYSA-N 0 0 450.966 4.721 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2cc(Br)ccc2NC(C)=O)nc1 ZINC001359882264 1064576835 /nfs/dbraw/zinc/57/68/35/1064576835.db2.gz AMIHZYJPWWDTHC-UHFFFAOYSA-N 0 0 456.296 4.856 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)C1 ZINC001359883236 1064577296 /nfs/dbraw/zinc/57/72/96/1064577296.db2.gz HIFHGBMMUIGQSB-BHIFYINESA-N 0 0 475.678 4.692 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001435188585 1064577832 /nfs/dbraw/zinc/57/78/32/1064577832.db2.gz ADOJPJVGVPDIAX-FEAKQIBJSA-N 0 0 455.274 4.756 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001435188588 1064577848 /nfs/dbraw/zinc/57/78/48/1064577848.db2.gz ADOJPJVGVPDIAX-FJVVXJACSA-N 0 0 455.274 4.756 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C/C=C/c1ccc(Br)cc1 ZINC001359883779 1064578162 /nfs/dbraw/zinc/57/81/62/1064578162.db2.gz RFAMYUFDKXGPAD-NSCUHMNNSA-N 0 0 459.409 4.989 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001359883831 1064578179 /nfs/dbraw/zinc/57/81/79/1064578179.db2.gz JUSJOUUJLASFQA-XKGZKEIXSA-N 0 0 467.511 4.723 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001359883828 1064578320 /nfs/dbraw/zinc/57/83/20/1064578320.db2.gz JUSJOUUJLASFQA-HQRMLTQVSA-N 0 0 467.511 4.723 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(F)(F)F)C1 ZINC001359884507 1064578660 /nfs/dbraw/zinc/57/86/60/1064578660.db2.gz OTQWWEGTUOSHEZ-SFHVURJKSA-N 0 0 479.595 4.913 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359884497 1064578728 /nfs/dbraw/zinc/57/87/28/1064578728.db2.gz OQPLLTRPTFOWRK-CVEARBPZSA-N 0 0 457.566 4.763 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359884790 1064579074 /nfs/dbraw/zinc/57/90/74/1064579074.db2.gz QLJHGLBFWHVMAN-QZTJIDSGSA-N 0 0 467.536 4.537 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cccs2)C1 ZINC001359884741 1064579282 /nfs/dbraw/zinc/57/92/82/1064579282.db2.gz QBGRYBFHTFXLPX-IBGZPJMESA-N 0 0 472.058 4.886 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359885226 1064579693 /nfs/dbraw/zinc/57/96/93/1064579693.db2.gz XHMDFLALNZDEOD-UGKGYDQZSA-N 0 0 485.629 4.530 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)C1 ZINC001359884999 1064579738 /nfs/dbraw/zinc/57/97/38/1064579738.db2.gz UJUJRYRGICTESV-FQEVSTJZSA-N 0 0 473.662 4.612 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001359885152 1064579804 /nfs/dbraw/zinc/57/98/04/1064579804.db2.gz WHGSODOQFOTGLS-HXUWFJFHSA-N 0 0 453.034 4.904 20 0 JJADRN CCOc1cc(C(=O)N[C@H](CC2CC2)c2ccccc2)ccc1OCC(=O)N1CCCCC1 ZINC001435190381 1064580249 /nfs/dbraw/zinc/58/02/49/1064580249.db2.gz XOQLPZKITLWGCV-HSZRJFAPSA-N 0 0 450.579 4.748 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC001435190378 1064580300 /nfs/dbraw/zinc/58/03/00/1064580300.db2.gz XKSXGVQRKWLCNC-CQSZACIVSA-N 0 0 458.605 4.584 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001435190628 1064580568 /nfs/dbraw/zinc/58/05/68/1064580568.db2.gz HPKAEOHQXDSRFV-VXKWHMMOSA-N 0 0 459.631 4.762 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(F)(F)F)n2)C1 ZINC001359885582 1064580756 /nfs/dbraw/zinc/58/07/56/1064580756.db2.gz CWBXBLXYQPYUBF-INIZCTEOSA-N 0 0 492.571 4.604 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001435191726 1064581031 /nfs/dbraw/zinc/58/10/31/1064581031.db2.gz OECRHGIXIGESDX-HKUYNNGSSA-N 0 0 457.596 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001435193047 1064582186 /nfs/dbraw/zinc/58/21/86/1064582186.db2.gz GGFMBWGOLGAVAZ-HNNXBMFYSA-N 0 0 455.502 4.958 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001359886549 1064582292 /nfs/dbraw/zinc/58/22/92/1064582292.db2.gz NCAHUUCLJMTMJE-NBGIEHNGSA-N 0 0 454.018 4.697 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359886556 1064582413 /nfs/dbraw/zinc/58/24/13/1064582413.db2.gz NIVBJDCORQJHIB-SFHVURJKSA-N 0 0 483.078 4.596 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359886537 1064582488 /nfs/dbraw/zinc/58/24/88/1064582488.db2.gz MVZRDFSRXFHFST-RBUKOAKNSA-N 0 0 467.536 4.581 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001435193870 1064582653 /nfs/dbraw/zinc/58/26/53/1064582653.db2.gz VNFMZFSXQJTIEP-MOPGFXCFSA-N 0 0 455.555 4.654 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359887279 1064583348 /nfs/dbraw/zinc/58/33/48/1064583348.db2.gz UMGJRPYREOFOAL-HSZRJFAPSA-N 0 0 451.659 4.828 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C1CC1 ZINC001359887383 1064583638 /nfs/dbraw/zinc/58/36/38/1064583638.db2.gz NDYLQUQSVRVKAC-QFIPXVFZSA-N 0 0 456.970 4.714 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)c2cc(F)c(F)cc2I)c1 ZINC001435195385 1064583739 /nfs/dbraw/zinc/58/37/39/1064583739.db2.gz IKGIGYJCKHZXKK-UHFFFAOYSA-N 0 0 459.274 4.676 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359887485 1064583951 /nfs/dbraw/zinc/58/39/51/1064583951.db2.gz WGRBGNXYQKUMBW-NJDAHSKKSA-N 0 0 477.694 4.936 20 0 JJADRN CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001359887620 1064584023 /nfs/dbraw/zinc/58/40/23/1064584023.db2.gz OOHRQDZCNLPPAJ-LJQANCHMSA-N 0 0 459.493 4.635 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001359887890 1064584354 /nfs/dbraw/zinc/58/43/54/1064584354.db2.gz ZORARTXIMPEGSG-HSZRJFAPSA-N 0 0 472.699 4.683 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)N[C@H](Cc3cc(C)cc(C)c3)c3cccc(OC)c3)C2)c1 ZINC001435196400 1064584569 /nfs/dbraw/zinc/58/45/69/1064584569.db2.gz XGPDZBQDRHRWRB-XNMGPUDCSA-N 0 0 458.558 4.914 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)N[C@@H](Cc3cc(C)cc(C)c3)c3cccc(OC)c3)C2)c1 ZINC001435196398 1064584610 /nfs/dbraw/zinc/58/46/10/1064584610.db2.gz XGPDZBQDRHRWRB-BDYUSTAISA-N 0 0 458.558 4.914 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)N[C@H](Cc3cc(C)cc(C)c3)c3cccc(OC)c3)C2)c1 ZINC001435196399 1064584850 /nfs/dbraw/zinc/58/48/50/1064584850.db2.gz XGPDZBQDRHRWRB-VPUSJEBWSA-N 0 0 458.558 4.914 20 0 JJADRN Cn1ncc(C(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1Br ZINC001359888206 1064584975 /nfs/dbraw/zinc/58/49/75/1064584975.db2.gz XLOLITSTOWLXLM-NSHDSACASA-N 0 0 456.056 4.796 20 0 JJADRN Cn1ncc(C(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1Br ZINC001359888205 1064584986 /nfs/dbraw/zinc/58/49/86/1064584986.db2.gz XLOLITSTOWLXLM-LLVKDONJSA-N 0 0 456.056 4.796 20 0 JJADRN O=C(Cc1ccc(-n2cnnc2)cc1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359888297 1064585083 /nfs/dbraw/zinc/58/50/83/1064585083.db2.gz ZZNZDFVRMMVSOZ-QGZVFWFLSA-N 0 0 454.246 4.809 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001359888467 1064585458 /nfs/dbraw/zinc/58/54/58/1064585458.db2.gz CZVIWLJERWJURP-NZQKXSOJSA-N 0 0 479.463 4.929 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001359888469 1064585566 /nfs/dbraw/zinc/58/55/66/1064585566.db2.gz CZVIWLJERWJURP-REWPJTCUSA-N 0 0 479.463 4.929 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001359888630 1064586089 /nfs/dbraw/zinc/58/60/89/1064586089.db2.gz HGJYFRCPQVSVQJ-RDPSFJRHSA-N 0 0 466.573 4.768 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 ZINC001435198282 1064586344 /nfs/dbraw/zinc/58/63/44/1064586344.db2.gz KEABYPHOVMCSMG-UHFFFAOYSA-N 0 0 455.540 4.619 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001359888840 1064586400 /nfs/dbraw/zinc/58/64/00/1064586400.db2.gz JAMUFEWUHVQQHU-SBUREZEXSA-N 0 0 479.463 4.899 20 0 JJADRN COc1ccc(CNC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C(F)(F)F)c1 ZINC001359888931 1064586511 /nfs/dbraw/zinc/58/65/11/1064586511.db2.gz FDQNCONLHSQGFI-UHFFFAOYSA-N 0 0 456.505 4.758 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OC(F)F)c(Br)c1 ZINC001435199345 1064586811 /nfs/dbraw/zinc/58/68/11/1064586811.db2.gz POOUVBHPZJDVSF-UHFFFAOYSA-N 0 0 458.646 4.684 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)n1 ZINC001435199561 1064587296 /nfs/dbraw/zinc/58/72/96/1064587296.db2.gz OUWQDUNXLOTQGP-UHFFFAOYSA-N 0 0 456.266 4.857 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc(I)c1 ZINC001435199619 1064587310 /nfs/dbraw/zinc/58/73/10/1064587310.db2.gz QAHQMGRUQOFBRI-UHFFFAOYSA-N 0 0 456.121 4.515 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1cccs1 ZINC001359889228 1064587303 /nfs/dbraw/zinc/58/73/03/1064587303.db2.gz NCRFXKAPDSURRG-HOYKHHGWSA-N 0 0 490.695 4.795 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOCC2(CC2)C1 ZINC001359889153 1064587321 /nfs/dbraw/zinc/58/73/21/1064587321.db2.gz MBSMQLXFIQWQDY-HXUWFJFHSA-N 0 0 483.476 4.573 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001359889237 1064587448 /nfs/dbraw/zinc/58/74/48/1064587448.db2.gz NCRFXKAPDSURRG-MHECFPHRSA-N 0 0 490.695 4.795 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Br ZINC001359889357 1064587580 /nfs/dbraw/zinc/58/75/80/1064587580.db2.gz AZLLVSDXPFUCES-QHCPKHFHSA-N 0 0 474.447 4.870 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001359889630 1064587940 /nfs/dbraw/zinc/58/79/40/1064587940.db2.gz NDNWXOKFGFMVFN-GLDPYIMESA-N 0 0 450.579 4.671 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC2=O)c(C)c1 ZINC001435200758 1064588135 /nfs/dbraw/zinc/58/81/35/1064588135.db2.gz VYLDSUWZGCCJLV-QGZVFWFLSA-N 0 0 456.468 4.808 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](c1noc(C)n1)c1ccccc1OC ZINC001435200684 1064588250 /nfs/dbraw/zinc/58/82/50/1064588250.db2.gz UUNQCXCYIULGJL-QRWLVFNGSA-N 0 0 458.356 4.624 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](C)C1 ZINC001359889992 1064588269 /nfs/dbraw/zinc/58/82/69/1064588269.db2.gz QQKXJSNFFYNAIC-VGSWGCGISA-N 0 0 466.468 4.860 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC001435201343 1064588605 /nfs/dbraw/zinc/58/86/05/1064588605.db2.gz JUKIUJIHDLOUSN-UHFFFAOYSA-N 0 0 459.140 4.778 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001359890051 1064588813 /nfs/dbraw/zinc/58/88/13/1064588813.db2.gz QZUAPZJTSJETPW-UFHPHHKVSA-N 0 0 494.684 4.532 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC001435202527 1064589132 /nfs/dbraw/zinc/58/91/32/1064589132.db2.gz PBKYEDMRRSYNMJ-HXUWFJFHSA-N 0 0 458.580 4.662 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001359890400 1064589321 /nfs/dbraw/zinc/58/93/21/1064589321.db2.gz JOZVHSJLAHDMAB-CCLHPLFOSA-N 0 0 492.624 4.681 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@H]1C ZINC001359890353 1064589842 /nfs/dbraw/zinc/58/98/42/1064589842.db2.gz SUKAKCZVWWBIAA-STSQHVNTSA-N 0 0 450.624 4.686 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359890422 1064590316 /nfs/dbraw/zinc/59/03/16/1064590316.db2.gz JVSPMBOPPGRHTR-RUZDIDTESA-N 0 0 492.064 4.700 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359890651 1064590331 /nfs/dbraw/zinc/59/03/31/1064590331.db2.gz UVJBSXZDVFATHH-MHPIHPPYSA-N 0 0 462.610 4.748 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001359890900 1064590685 /nfs/dbraw/zinc/59/06/85/1064590685.db2.gz VXWLUQRBVRVCAX-OAQYLSRUSA-N 0 0 452.441 4.993 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001359891070 1064591210 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AWHZQGGBRUKGDS-HHHXNRCGSA-N 0 0 467.658 4.522 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)[C@@H]1c1ccc(OC)cc1 ZINC001435213207 1064594569 /nfs/dbraw/zinc/59/45/69/1064594569.db2.gz YJQBBNYNGWRJGE-BWKNWUBXSA-N 0 0 451.567 4.599 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001359894009 1064595210 /nfs/dbraw/zinc/59/52/10/1064595210.db2.gz KEUNCVMAXJKBRX-PUAOIOHZSA-N 0 0 489.567 4.669 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C ZINC001359894178 1064595230 /nfs/dbraw/zinc/59/52/30/1064595230.db2.gz LMRKBSPPBZRIJH-IBVKSMDESA-N 0 0 477.694 4.959 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001359894008 1064595296 /nfs/dbraw/zinc/59/52/96/1064595296.db2.gz KEUNCVMAXJKBRX-LMKMVOKYSA-N 0 0 489.567 4.669 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC[S@](=O)Cc3ccccc3)cc12 ZINC001435214488 1064595563 /nfs/dbraw/zinc/59/55/63/1064595563.db2.gz AGWLFKQEZPRPGK-PMERELPUSA-N 0 0 458.008 4.728 20 0 JJADRN CCCN(C(=O)Cn1cc(C(=O)OC)c2ccccc21)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214541 1064595719 /nfs/dbraw/zinc/59/57/19/1064595719.db2.gz ALBYGKBGTWALAH-SANMLTNESA-N 0 0 459.521 4.990 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1cc(F)ccc1F ZINC001435215649 1064595941 /nfs/dbraw/zinc/59/59/41/1064595941.db2.gz UPJVORIRWRPFEY-BFUOFWGJSA-N 0 0 451.311 4.656 20 0 JJADRN CCCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001435215191 1064596018 /nfs/dbraw/zinc/59/60/18/1064596018.db2.gz UJANOUNLHPFDAR-KMDXXIMOSA-N 0 0 450.579 4.685 20 0 JJADRN COc1cccc(OCCCNC(=O)c2csc(-c3ccc(Br)s3)n2)c1 ZINC001435215532 1064596054 /nfs/dbraw/zinc/59/60/54/1064596054.db2.gz KIJGGPXTNHNCDD-UHFFFAOYSA-N 0 0 453.383 4.842 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccn1 ZINC001359894939 1064595989 /nfs/dbraw/zinc/59/59/89/1064595989.db2.gz UUKHGPNSQUULFX-SANMLTNESA-N 0 0 460.582 4.819 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359894858 1064596036 /nfs/dbraw/zinc/59/60/36/1064596036.db2.gz SAOQPVVCBHTCDT-HOYKHHGWSA-N 0 0 492.590 4.686 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1cc(F)ccc1F ZINC001435215651 1064596576 /nfs/dbraw/zinc/59/65/76/1064596576.db2.gz UPJVORIRWRPFEY-DJJJIMSYSA-N 0 0 451.311 4.656 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)cc1 ZINC001435216122 1064596674 /nfs/dbraw/zinc/59/66/74/1064596674.db2.gz ZJORPBRNZBSARS-UHFFFAOYSA-N 0 0 455.551 4.906 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001359895497 1064597119 /nfs/dbraw/zinc/59/71/19/1064597119.db2.gz DJOKRCLAFZSSPN-NDEPHWFRSA-N 0 0 493.627 4.690 20 0 JJADRN Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001435217164 1064597185 /nfs/dbraw/zinc/59/71/85/1064597185.db2.gz XCTHTBADGXIJIT-UHFFFAOYSA-N 0 0 450.485 4.589 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 ZINC001435217391 1064597620 /nfs/dbraw/zinc/59/76/20/1064597620.db2.gz SLMYPDMKGVJNKZ-HSZRJFAPSA-N 0 0 452.938 4.602 20 0 JJADRN CC[C@@H]1CCC[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC001435217884 1064598287 /nfs/dbraw/zinc/59/82/87/1064598287.db2.gz CALKFYVINRGBFK-FCEUIQTBSA-N 0 0 452.599 4.635 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001359895958 1064598455 /nfs/dbraw/zinc/59/84/55/1064598455.db2.gz KRPQOMHAJMCYDF-RFZFDZAKSA-N 0 0 478.584 4.705 20 0 JJADRN Cc1c(NC(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)cccc1S(=O)(=O)NC1CC1 ZINC001435219250 1064598702 /nfs/dbraw/zinc/59/87/02/1064598702.db2.gz BHKPQOUVJNIPHO-HSZRJFAPSA-N 0 0 454.979 4.860 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359896568 1064598776 /nfs/dbraw/zinc/59/87/76/1064598776.db2.gz QJCULRJQZFARJD-AVRWGWEMSA-N 0 0 457.569 4.927 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359896571 1064598888 /nfs/dbraw/zinc/59/88/88/1064598888.db2.gz QJCULRJQZFARJD-IQGLISFBSA-N 0 0 457.569 4.927 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)ccc1F ZINC001359896619 1064599017 /nfs/dbraw/zinc/59/90/17/1064599017.db2.gz IIDKWZDXHPUCGM-UHFFFAOYSA-N 0 0 458.493 4.846 20 0 JJADRN CC[C@H]1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001435219539 1064599347 /nfs/dbraw/zinc/59/93/47/1064599347.db2.gz IFVXNLFBAQJQDQ-GHTZIAJQSA-N 0 0 456.608 4.535 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001359896675 1064599427 /nfs/dbraw/zinc/59/94/27/1064599427.db2.gz RGNMMCWLZXESRL-SANMLTNESA-N 0 0 481.666 4.612 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001359896621 1064599594 /nfs/dbraw/zinc/59/95/94/1064599594.db2.gz RBFSERSTUXPZRJ-DEOSSOPVSA-N 0 0 461.050 4.716 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359897329 1064600021 /nfs/dbraw/zinc/60/00/21/1064600021.db2.gz XGVMXJJCCYUTHQ-SQJMNOBHSA-N 0 0 464.601 4.586 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC001435220811 1064600604 /nfs/dbraw/zinc/60/06/04/1064600604.db2.gz HHLHCBNRMDVTPB-VXKWHMMOSA-N 0 0 452.576 4.620 20 0 JJADRN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC001435220161 1064600699 /nfs/dbraw/zinc/60/06/99/1064600699.db2.gz GNJTWHKEGRUGKC-UHFFFAOYSA-N 0 0 453.873 4.857 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC001435220809 1064600730 /nfs/dbraw/zinc/60/07/30/1064600730.db2.gz HHLHCBNRMDVTPB-FGZHOGPDSA-N 0 0 452.576 4.620 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359897548 1064600747 /nfs/dbraw/zinc/60/07/47/1064600747.db2.gz ZJWCDYDKKLOVES-CLOONOSVSA-N 0 0 491.080 4.567 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359897522 1064600787 /nfs/dbraw/zinc/60/07/87/1064600787.db2.gz YXLPYYLCMPHBHE-GSPPDTAYSA-N 0 0 456.631 4.850 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 ZINC001359897557 1064600803 /nfs/dbraw/zinc/60/08/03/1064600803.db2.gz ZKCBSOQLYUIQHU-XCBGXXMHSA-N 0 0 456.631 4.993 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCSC)c(Cl)cc1Cl ZINC001435221197 1064601178 /nfs/dbraw/zinc/60/11/78/1064601178.db2.gz MXCNEQWGNRHWDO-STQMWFEESA-N 0 0 455.473 4.674 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)[C@H]1c1cccc(F)c1 ZINC001359898278 1064601598 /nfs/dbraw/zinc/60/15/98/1064601598.db2.gz XOSVEPBCPPZNSD-KBXCAEBGSA-N 0 0 462.959 4.640 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001435221512 1064602159 /nfs/dbraw/zinc/60/21/59/1064602159.db2.gz NIFZBTWWPPSVSC-NRFANRHFSA-N 0 0 454.636 4.794 20 0 JJADRN CC[C@@H](OC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(C)(C)c1ccccc1 ZINC001435222046 1064602181 /nfs/dbraw/zinc/60/21/81/1064602181.db2.gz OBWIAORKVJWQRG-QGZVFWFLSA-N 0 0 457.361 4.905 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)nc1 ZINC001435222001 1064602259 /nfs/dbraw/zinc/60/22/59/1064602259.db2.gz ZMSSGOZRWZFOCW-UHFFFAOYSA-N 0 0 451.910 4.928 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001359898613 1064602279 /nfs/dbraw/zinc/60/22/79/1064602279.db2.gz BHXJSBCKVYIRJN-JYFHCDHNSA-N 0 0 451.590 4.932 20 0 JJADRN CC(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC001359898643 1064603290 /nfs/dbraw/zinc/60/32/90/1064603290.db2.gz FKNHUZZMDDDLBC-UHFFFAOYSA-N 0 0 454.644 4.846 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359898709 1064603339 /nfs/dbraw/zinc/60/33/39/1064603339.db2.gz BOBNDRUQSVKXKB-YIXXDRMTSA-N 0 0 456.675 4.892 20 0 JJADRN CC[C@H](c1ccncc1)N(C)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 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Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)o2)cc1 ZINC001435261829 1064637729 /nfs/dbraw/zinc/63/77/29/1064637729.db2.gz SUPQTQPHAFMOJU-LJQANCHMSA-N 0 0 457.452 4.552 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)c(C)c2c1 ZINC001359917000 1064638145 /nfs/dbraw/zinc/63/81/45/1064638145.db2.gz OLJFHGONBUGLOX-QGZVFWFLSA-N 0 0 459.564 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001359916932 1064638274 /nfs/dbraw/zinc/63/82/74/1064638274.db2.gz MLVVQOWEJQKTQP-UPVQGACJSA-N 0 0 450.579 4.729 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)C[C@H]1COc2ccccc2O1)C1CC1 ZINC001435262334 1064638223 /nfs/dbraw/zinc/63/82/23/1064638223.db2.gz AWTPIELBVLOUJZ-FQEVSTJZSA-N 0 0 452.551 4.745 20 0 JJADRN O=C(COCC(F)F)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001435262601 1064639356 /nfs/dbraw/zinc/63/93/56/1064639356.db2.gz CFRIZEHSEBUHNR-INIZCTEOSA-N 0 0 450.682 4.923 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001359917326 1064639463 /nfs/dbraw/zinc/63/94/63/1064639463.db2.gz ZDESNOWBFWQIDQ-UHFFFAOYSA-N 0 0 456.359 4.967 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)C(C)(C)n3cc(NC(=O)OC(C)(C)C)cn3)c(C)c2c1 ZINC001359917105 1064639488 /nfs/dbraw/zinc/63/94/88/1064639488.db2.gz RYSVEERSHVHBEB-OAHLLOKOSA-N 0 0 456.543 4.906 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001435263234 1064639922 /nfs/dbraw/zinc/63/99/22/1064639922.db2.gz AZOWWONGHPLSDN-IBGZPJMESA-N 0 0 458.986 4.579 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001435264206 1064640943 /nfs/dbraw/zinc/64/09/43/1064640943.db2.gz HNLYJAZMQJDIFU-DCFHFQCYSA-N 0 0 450.579 4.590 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccc(Cn2ccnn2)o1 ZINC001435265019 1064641340 /nfs/dbraw/zinc/64/13/40/1064641340.db2.gz WKHSRNAYENEKDK-UHFFFAOYSA-N 0 0 450.364 4.845 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)cc1OCC1CCOCC1 ZINC001435264504 1064641408 /nfs/dbraw/zinc/64/14/08/1064641408.db2.gz DZBBHASJXXOZSQ-UHFFFAOYSA-N 0 0 459.546 4.629 20 0 JJADRN CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(Cl)cc1 ZINC001359918605 1064641788 /nfs/dbraw/zinc/64/17/88/1064641788.db2.gz LGVMOBFANVKQFH-UHFFFAOYSA-N 0 0 468.049 4.831 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC001435265075 1064642539 /nfs/dbraw/zinc/64/25/39/1064642539.db2.gz MPQIARKUXSAALS-ZFGGDYGUSA-N 0 0 456.652 4.885 20 0 JJADRN Cc1noc2nc(C)cc(C(=O)N(c3ccc(CNC(=O)OC(C)(C)C)cc3C)C3CC3)c12 ZINC001435265048 1064642551 /nfs/dbraw/zinc/64/25/51/1064642551.db2.gz WVUBDPQNLHJRQI-UHFFFAOYSA-N 0 0 450.539 4.982 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC001435265123 1064642596 /nfs/dbraw/zinc/64/25/96/1064642596.db2.gz MGJXANKJEANPDW-OHMQHGOSSA-N 0 0 452.982 4.759 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359918840 1064642564 /nfs/dbraw/zinc/64/25/64/1064642564.db2.gz 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CC(C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359934046 1064677085 /nfs/dbraw/zinc/67/70/85/1064677085.db2.gz ULGMXJCLFHBJAH-IBGZPJMESA-N 0 0 450.587 4.643 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359933925 1064677151 /nfs/dbraw/zinc/67/71/51/1064677151.db2.gz OYHYCODWZNLTSK-GFCCVEGCSA-N 0 0 453.328 4.583 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001435302510 1064677729 /nfs/dbraw/zinc/67/77/29/1064677729.db2.gz ROPSKNKLJIXJLK-IBGZPJMESA-N 0 0 455.308 4.899 20 0 JJADRN Cc1csc(C(=O)Nc2c(F)cc(Br)cc2F)c1I ZINC001435303157 1064678492 /nfs/dbraw/zinc/67/84/92/1064678492.db2.gz IPXJRUDTLHXMQE-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2OC)c(I)c1 ZINC001359934754 1064678486 /nfs/dbraw/zinc/67/84/86/1064678486.db2.gz UJZGBMMXSMUBNO-SFHVURJKSA-N 0 0 451.304 4.676 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC001435305119 1064679325 /nfs/dbraw/zinc/67/93/25/1064679325.db2.gz UVNKIGOSJMERAO-OAQYLSRUSA-N 0 0 455.558 4.983 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)cc2)cc1 ZINC001435304313 1064679343 /nfs/dbraw/zinc/67/93/43/1064679343.db2.gz WVFRSBFMHQNJFI-FQEVSTJZSA-N 0 0 459.571 4.646 20 0 JJADRN CCN(C(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001359935694 1064679458 /nfs/dbraw/zinc/67/94/58/1064679458.db2.gz KXNUNUUURPOVMF-XMMPIXPASA-N 0 0 452.526 4.826 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935727 1064679483 /nfs/dbraw/zinc/67/94/83/1064679483.db2.gz MEIKWNBOJYBJHB-HYVJGQCMSA-N 0 0 455.624 4.522 20 0 JJADRN CC(C)CCn1c(-c2cccnc2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001359937083 1064680054 /nfs/dbraw/zinc/68/00/54/1064680054.db2.gz MYLVOQZQIWFKQV-WCRBZPEASA-N 0 0 454.619 4.753 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001435307332 1064680930 /nfs/dbraw/zinc/68/09/30/1064680930.db2.gz OTLWBHGACRPFKZ-KSSFIOAISA-N 0 0 459.493 4.677 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001359937700 1064681006 /nfs/dbraw/zinc/68/10/06/1064681006.db2.gz BRUIEFIATFFNJK-JOCHJYFZSA-N 0 0 497.684 4.927 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)ccc1F ZINC001359937776 1064681045 /nfs/dbraw/zinc/68/10/45/1064681045.db2.gz DUZWKCSYXLGBBF-XDHUDOTRSA-N 0 0 453.558 4.802 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)ccc2C)c1 ZINC001435307011 1064681034 /nfs/dbraw/zinc/68/10/34/1064681034.db2.gz PLKRDAIRRGKDFC-NRFANRHFSA-N 0 0 459.546 4.747 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359937912 1064681526 /nfs/dbraw/zinc/68/15/26/1064681526.db2.gz FLPKIKSTDAUCIJ-NHCUHLMSSA-N 0 0 485.677 4.556 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C ZINC001435308832 1064682484 /nfs/dbraw/zinc/68/24/84/1064682484.db2.gz PXLRFHCLTLMGPP-QHCPKHFHSA-N 0 0 458.599 4.597 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 ZINC001435308842 1064682630 /nfs/dbraw/zinc/68/26/30/1064682630.db2.gz QJXQSKNKTXNWBL-GVAUOCQISA-N 0 0 452.595 4.920 20 0 JJADRN CCn1c(SCC(=O)N2C[C@H](C)CN(C)c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC001435308611 1064682685 /nfs/dbraw/zinc/68/26/85/1064682685.db2.gz CZSPMIKKPVHUAF-MRXNPFEDSA-N 0 0 456.015 4.830 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938420 1064682681 /nfs/dbraw/zinc/68/26/81/1064682681.db2.gz MWMVPXRPQRGUSV-QMHKHESXSA-N 0 0 450.608 4.988 20 0 JJADRN CC(C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001359939528 1064683317 /nfs/dbraw/zinc/68/33/17/1064683317.db2.gz VGTIQYZNXWKBKX-ICSRJNTNSA-N 0 0 463.420 4.559 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCOc1ccc(C)c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939520 1064683328 /nfs/dbraw/zinc/68/33/28/1064683328.db2.gz YHHZWDSZOMQCPJ-BCHFMIIMSA-N 0 0 451.611 4.842 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939255 1064683340 /nfs/dbraw/zinc/68/33/40/1064683340.db2.gz VBRWYRIAMMUKHH-KUHUBIRLSA-N 0 0 451.489 4.990 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001435309295 1064683466 /nfs/dbraw/zinc/68/34/66/1064683466.db2.gz XEBGWTVUXUIOCK-TZIWHRDSSA-N 0 0 456.587 4.558 20 0 JJADRN CC(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359939873 1064684037 /nfs/dbraw/zinc/68/40/37/1064684037.db2.gz ZEJRQVNLZDEHGX-UHFFFAOYSA-N 0 0 466.586 4.703 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OC(C)C)CC1 ZINC001359940013 1064684101 /nfs/dbraw/zinc/68/41/01/1064684101.db2.gz DCKBNRKLRNCNJP-UHFFFAOYSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1c(CSC(C)C)cccc1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001435309368 1064684237 /nfs/dbraw/zinc/68/42/37/1064684237.db2.gz YCZJITUZSXVBRW-UHFFFAOYSA-N 0 0 450.551 4.834 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NCc2ccccc2OC(C)(C)C)[C@H]1c1ccc(OC)cc1 ZINC001435311450 1064684980 /nfs/dbraw/zinc/68/49/80/1064684980.db2.gz NQBIPWBQCQQCSY-WIOPSUGQSA-N 0 0 452.595 4.879 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001435311122 1064685047 /nfs/dbraw/zinc/68/50/47/1064685047.db2.gz BJZHCDDVEHKNQU-WZONZLPQSA-N 0 0 450.579 4.509 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c1 ZINC001359941092 1064685756 /nfs/dbraw/zinc/68/57/56/1064685756.db2.gz MBMXFWFNRGXWAK-KRWDZBQOSA-N 0 0 456.539 4.796 20 0 JJADRN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCc2sccc2C1 ZINC001359941413 1064685842 /nfs/dbraw/zinc/68/58/42/1064685842.db2.gz TWLPESNSKKSMKW-LJQANCHMSA-N 0 0 475.659 4.647 20 0 JJADRN CC(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359942044 1064686816 /nfs/dbraw/zinc/68/68/16/1064686816.db2.gz ZQIIZTRWNQXKIK-UGKGYDQZSA-N 0 0 485.629 4.530 20 0 JJADRN CC(C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359943089 1064687305 /nfs/dbraw/zinc/68/73/05/1064687305.db2.gz RTWHIZRNRATISH-IBGZPJMESA-N 0 0 454.644 4.642 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)on1 ZINC001435315106 1064687481 /nfs/dbraw/zinc/68/74/81/1064687481.db2.gz CAEHYWLIZPUZCH-KRWDZBQOSA-N 0 0 455.580 4.548 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1=O ZINC001435315636 1064687554 /nfs/dbraw/zinc/68/75/54/1064687554.db2.gz FFMGFTFSHUHAMO-XLIONFOSSA-N 0 0 451.567 4.826 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001359943673 1064688273 /nfs/dbraw/zinc/68/82/73/1064688273.db2.gz DSAXWXIKMVPTNY-UHFFFAOYSA-N 0 0 477.078 4.654 20 0 JJADRN Cc1cnc([C@@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C2CC2)s1 ZINC001435315907 1064688412 /nfs/dbraw/zinc/68/84/12/1064688412.db2.gz HGJDTKUKDDOEDA-SFHVURJKSA-N 0 0 451.514 4.590 20 0 JJADRN CC(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359943297 1064688439 /nfs/dbraw/zinc/68/84/39/1064688439.db2.gz WFHCRUIJBYGMHW-HXUWFJFHSA-N 0 0 450.631 4.527 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001359944008 1064689144 /nfs/dbraw/zinc/68/91/44/1064689144.db2.gz MHDWHFBBGJERNA-SBUREZEXSA-N 0 0 483.440 4.984 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001435317006 1064689108 /nfs/dbraw/zinc/68/91/08/1064689108.db2.gz KUQOUXXTULRTBI-CYBMUJFWSA-N 0 0 454.493 4.829 20 0 JJADRN CC(C)CCn1c(CCCc2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001359943742 1064689208 /nfs/dbraw/zinc/68/92/08/1064689208.db2.gz HFWHSLPMUIGQER-NRFANRHFSA-N 0 0 452.672 4.839 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NC1(C(F)(F)F)CCC1 ZINC001435316510 1064689298 /nfs/dbraw/zinc/68/92/98/1064689298.db2.gz OUJZAHHUOITOLJ-UHFFFAOYSA-N 0 0 455.274 4.845 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)ccc1F ZINC001435317012 1064690106 /nfs/dbraw/zinc/69/01/06/1064690106.db2.gz LBVJYJMKOYQSRL-AEFFLSMTSA-N 0 0 455.530 4.711 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)ccc1F ZINC001435317014 1064690266 /nfs/dbraw/zinc/69/02/66/1064690266.db2.gz LBVJYJMKOYQSRL-SJLPKXTDSA-N 0 0 455.530 4.711 20 0 JJADRN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001359944400 1064690689 /nfs/dbraw/zinc/69/06/89/1064690689.db2.gz SBTHZAKVNSTLOH-FNZWTVRRSA-N 0 0 456.631 4.585 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001359944342 1064690702 /nfs/dbraw/zinc/69/07/02/1064690702.db2.gz PZROCGHXDKSIOU-OAHLLOKOSA-N 0 0 454.493 4.560 20 0 JJADRN CC[C@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC001435318135 1064690934 /nfs/dbraw/zinc/69/09/34/1064690934.db2.gz ORLWIGSBZXWURG-ZEQRLZLVSA-N 0 0 455.551 4.637 20 0 JJADRN CC[C@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)c2ccccc2O1 ZINC001435318081 1064690968 /nfs/dbraw/zinc/69/09/68/1064690968.db2.gz HIHFZVHYXGJIDI-KRWDZBQOSA-N 0 0 458.299 4.900 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001359944599 1064691589 /nfs/dbraw/zinc/69/15/89/1064691589.db2.gz WUGUYJYHPUBAGE-UHFFFAOYSA-N 0 0 485.629 4.640 20 0 JJADRN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC001435318646 1064691849 /nfs/dbraw/zinc/69/18/49/1064691849.db2.gz HUUUDIITYSITHL-CQSZACIVSA-N 0 0 458.477 4.510 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1F ZINC001359945077 1064692420 /nfs/dbraw/zinc/69/24/20/1064692420.db2.gz BIOJRONXZRKBHK-FQEVSTJZSA-N 0 0 456.514 4.943 20 0 JJADRN CC1(C)CO[C@H](CCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001435319444 1064692646 /nfs/dbraw/zinc/69/26/46/1064692646.db2.gz CYADLGJUKOLFOD-DENIHFKCSA-N 0 0 450.000 4.544 20 0 JJADRN CCCCSCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001359945484 1064693441 /nfs/dbraw/zinc/69/34/41/1064693441.db2.gz OXAFWVHCIRNMLP-IBGZPJMESA-N 0 0 450.601 4.715 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)nc1 ZINC001435320038 1064693676 /nfs/dbraw/zinc/69/36/76/1064693676.db2.gz KXQYFTABYYQHLH-JOCHJYFZSA-N 0 0 456.995 4.955 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001359946071 1064694014 /nfs/dbraw/zinc/69/40/14/1064694014.db2.gz CROPRHZCGXYSCB-NJDAHSKKSA-N 0 0 452.517 4.718 20 0 JJADRN CCCc1nc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)nn1-c1ccccc1Cl ZINC001359946914 1064695001 /nfs/dbraw/zinc/69/50/01/1064695001.db2.gz STXKADWDLROASQ-UHFFFAOYSA-N 0 0 456.934 4.707 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)cs2)cc1 ZINC001359946782 1064695058 /nfs/dbraw/zinc/69/50/58/1064695058.db2.gz PIVFHOTYIZTRJF-DEOSSOPVSA-N 0 0 453.652 4.945 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320563 1064695184 /nfs/dbraw/zinc/69/51/84/1064695184.db2.gz WKTHRGFEDYYZIA-GQWLDOHISA-N 0 0 475.814 4.508 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)C[C@H]2COc3ccccc3O2)cc1OC ZINC001435322368 1064695935 /nfs/dbraw/zinc/69/59/35/1064695935.db2.gz FBNLXVWWJIONSH-FQEVSTJZSA-N 0 0 453.560 4.567 20 0 JJADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001359947452 1064696488 /nfs/dbraw/zinc/69/64/88/1064696488.db2.gz LYHWBMFABOQDJW-OTWHNJEPSA-N 0 0 451.681 4.673 20 0 JJADRN CC(C)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001359947387 1064696503 /nfs/dbraw/zinc/69/65/03/1064696503.db2.gz KACVLTQGAJXLNQ-QZTJIDSGSA-N 0 0 471.593 4.647 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001435324504 1064697231 /nfs/dbraw/zinc/69/72/31/1064697231.db2.gz RZNYMROHWAPVCG-HKBQPEDESA-N 0 0 454.617 4.719 20 0 JJADRN CC(C)CCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359947818 1064697816 /nfs/dbraw/zinc/69/78/16/1064697816.db2.gz PWWSIENJJNRWKO-UHFFFAOYSA-N 0 0 451.659 4.877 20 0 JJADRN Cc1sc2ncc(C(=O)N[C@H](c3ccc(F)c(C)c3)c3ccccc3Cl)c(=O)n2c1C ZINC001435326429 1064698783 /nfs/dbraw/zinc/69/87/83/1064698783.db2.gz YADHEUNPHDNGDZ-HXUWFJFHSA-N 0 0 455.942 4.993 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)Oc2ccccc21 ZINC001435326195 1064698902 /nfs/dbraw/zinc/69/89/02/1064698902.db2.gz UYSRKDJITKYAQC-BJKOFHAPSA-N 0 0 452.913 4.807 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435327571 1064699329 /nfs/dbraw/zinc/69/93/29/1064699329.db2.gz ALEOIICTKFRVNB-GVAUOCQISA-N 0 0 451.563 4.801 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CCOCC2)C1 ZINC001359948730 1064700635 /nfs/dbraw/zinc/70/06/35/1064700635.db2.gz ZZDFXFAHEVLBLK-FQEVSTJZSA-N 0 0 461.651 4.793 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001435329800 1064700661 /nfs/dbraw/zinc/70/06/61/1064700661.db2.gz IDJQCFWSFMTKTQ-AFMDSPMNSA-N 0 0 459.567 4.916 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC001435329508 1064700696 /nfs/dbraw/zinc/70/06/96/1064700696.db2.gz FNQCWUXGDYDNHO-HXUWFJFHSA-N 0 0 458.558 4.781 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)cc12 ZINC001435329558 1064700801 /nfs/dbraw/zinc/70/08/01/1064700801.db2.gz FXWGKVNMOCZLRN-CYBMUJFWSA-N 0 0 456.921 4.757 20 0 JJADRN O=C(COc1ccccc1C(=O)N1Cc2ccccc2C1)Nc1ccc(Br)cc1 ZINC001359948903 1064700994 /nfs/dbraw/zinc/70/09/94/1064700994.db2.gz RTDAMHMDFLELJR-UHFFFAOYSA-N 0 0 451.320 4.623 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435329890 1064701189 /nfs/dbraw/zinc/70/11/89/1064701189.db2.gz QMGBYICTTMLYBP-SEPOPDPSSA-N 0 0 453.535 4.547 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2csc(C(C)(C)C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435329832 1064701203 /nfs/dbraw/zinc/70/12/03/1064701203.db2.gz IWTQMRGDWLKXNS-NRFANRHFSA-N 0 0 456.633 4.926 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001435329801 1064701223 /nfs/dbraw/zinc/70/12/23/1064701223.db2.gz IDJQCFWSFMTKTQ-BCHFMIIMSA-N 0 0 459.567 4.916 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)CCc3nc(-c4ccsc4)no3)CCCC2)cc1C ZINC001435330581 1064701870 /nfs/dbraw/zinc/70/18/70/1064701870.db2.gz XZDDNLUFIFPTQT-UHFFFAOYSA-N 0 0 452.580 4.663 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330744 1064702289 /nfs/dbraw/zinc/70/22/89/1064702289.db2.gz SMINOHRBSONXJU-JIMJEQGWSA-N 0 0 463.599 4.670 20 0 JJADRN COC(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F ZINC001435330681 1064702392 /nfs/dbraw/zinc/70/23/92/1064702392.db2.gz ROVWYQDZYHARSN-JOCHJYFZSA-N 0 0 455.869 4.556 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001359949963 1064702560 /nfs/dbraw/zinc/70/25/60/1064702560.db2.gz APNFPHCKUFPXQC-WOJBJXKFSA-N 0 0 485.698 4.746 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC2([S@@](C)=O)CC2)cc1 ZINC001359950042 1064703189 /nfs/dbraw/zinc/70/31/89/1064703189.db2.gz CQNDCNZRIFZSCP-YUCISJLTSA-N 0 0 476.712 4.611 20 0 JJADRN COc1ccc([C@H](C)CC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331702 1064703109 /nfs/dbraw/zinc/70/31/09/1064703109.db2.gz GAVULKAMRKSGRR-BCHFMIIMSA-N 0 0 451.588 4.807 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCC2(O)CCOCC2)cc1 ZINC001359950077 1064703284 /nfs/dbraw/zinc/70/32/84/1064703284.db2.gz DOUUJQDFDPHUFL-VXKWHMMOSA-N 0 0 470.658 4.926 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[C@H]2CCOC2)cc1 ZINC001359950113 1064703596 /nfs/dbraw/zinc/70/35/96/1064703596.db2.gz FCQFGEDFXHYOPY-SFTDATJTSA-N 0 0 456.631 4.800 20 0 JJADRN COc1ccc([C@@H](C)CC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331706 1064703618 /nfs/dbraw/zinc/70/36/18/1064703618.db2.gz GAVULKAMRKSGRR-SIBVEZHUSA-N 0 0 451.588 4.807 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)ccc2NC1=O ZINC001435332539 1064704107 /nfs/dbraw/zinc/70/41/07/1064704107.db2.gz KDQBKBMELMWHFS-AUUYWEPGSA-N 0 0 454.477 4.719 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)ccc2NC1=O ZINC001435332542 1064704129 /nfs/dbraw/zinc/70/41/29/1064704129.db2.gz KDQBKBMELMWHFS-LIRRHRJNSA-N 0 0 454.477 4.719 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cccc(OCc4csc(C)n4)c3)ccc2NC1=O ZINC001435332246 1064704196 /nfs/dbraw/zinc/70/41/96/1064704196.db2.gz JAKHCLRZUITSAP-QKKBWIMNSA-N 0 0 451.548 4.631 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)C(F)(F)c3ccccc3Br)ccc2NC1=O ZINC001435333657 1064705234 /nfs/dbraw/zinc/70/52/34/1064705234.db2.gz QIUNCRKWFBQNLP-MEDUHNTESA-N 0 0 453.283 4.528 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(Cc3ccnn3C)C3CC3)n2CC(F)(F)F)cc1 ZINC001359950486 1064705552 /nfs/dbraw/zinc/70/55/52/1064705552.db2.gz JKFQDZKGTNJGBS-UHFFFAOYSA-N 0 0 462.520 4.835 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)ccc2NC1=O ZINC001435333692 1064705762 /nfs/dbraw/zinc/70/57/62/1064705762.db2.gz RCZHOMHZCHLLLO-CWTRNNRKSA-N 0 0 459.333 4.780 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001359950856 1064707035 /nfs/dbraw/zinc/70/70/35/1064707035.db2.gz PFLLPNFBTFBACQ-XMMPIXPASA-N 0 0 494.558 4.874 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CC[C@H](C)C[C@H]3c3ccc(C)o3)n2)CCCCCC1 ZINC001435338287 1064707366 /nfs/dbraw/zinc/70/73/66/1064707366.db2.gz BUQCMUKUTHXPLI-PXNSSMCTSA-N 0 0 456.587 4.589 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001435336196 1064707576 /nfs/dbraw/zinc/70/75/76/1064707576.db2.gz MQCYRPWWOINGLV-OAQYLSRUSA-N 0 0 450.579 4.905 20 0 JJADRN CCCN(C)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435336347 1064707613 /nfs/dbraw/zinc/70/76/13/1064707613.db2.gz ZMKOCVYZXWOAFO-VWLOTQADSA-N 0 0 450.604 4.764 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)ccc1F ZINC001435335860 1064707624 /nfs/dbraw/zinc/70/76/24/1064707624.db2.gz VSOWYUVOJQCZGY-DEOSSOPVSA-N 0 0 453.535 4.650 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001359951044 1064708192 /nfs/dbraw/zinc/70/81/92/1064708192.db2.gz RTSFESFILXYPFH-TYHYVREOSA-N 0 0 490.714 4.921 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(Br)cc1I ZINC001435337443 1064708149 /nfs/dbraw/zinc/70/81/49/1064708149.db2.gz OVMPFZDXPIMQIJ-WBVHZDCISA-N 0 0 456.121 4.514 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2Cc2ccc(F)cn2)cc1 ZINC001359951240 1064709460 /nfs/dbraw/zinc/70/94/60/1064709460.db2.gz UTAIZGNNLLGDRN-OAQYLSRUSA-N 0 0 455.603 4.894 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951384 1064709782 /nfs/dbraw/zinc/70/97/82/1064709782.db2.gz WXLBBJHDLAAEEQ-FQEVSTJZSA-N 0 0 476.687 4.677 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001359951546 1064710270 /nfs/dbraw/zinc/71/02/70/1064710270.db2.gz YTKNXYGOEIIEAN-MQFAKOPTSA-N 0 0 478.728 4.859 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C3CCC(C)CC3)n2CC2(O)CCOCC2)cc1 ZINC001359951608 1064710304 /nfs/dbraw/zinc/71/03/04/1064710304.db2.gz ZTQVISDPIFMDEA-UHFFFAOYSA-N 0 0 470.658 4.926 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC001435341501 1064710490 /nfs/dbraw/zinc/71/04/90/1064710490.db2.gz AATAIGXUDWNFJU-UHFFFAOYSA-N 0 0 454.592 4.550 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001435341632 1064710507 /nfs/dbraw/zinc/71/05/07/1064710507.db2.gz OGXWRVYMACKYDV-SFHVURJKSA-N 0 0 458.274 4.773 20 0 JJADRN COCCN(C(=O)c1cc2cc(Br)ccc2s1)c1ccc(OC)c(OC)c1 ZINC001435341273 1064710533 /nfs/dbraw/zinc/71/05/33/1064710533.db2.gz HYHAIOBCXAUZLN-UHFFFAOYSA-N 0 0 450.354 4.974 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC=CO2)cc1 ZINC001359951703 1064710578 /nfs/dbraw/zinc/71/05/78/1064710578.db2.gz CIVGXEWODUVBOC-ZCYQVOJMSA-N 0 0 495.668 4.804 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCN1C(=O)OC(C)(C)C ZINC001435342160 1064710966 /nfs/dbraw/zinc/71/09/66/1064710966.db2.gz CFTBFYZTWGFVEI-HOTGVXAUSA-N 0 0 450.992 4.756 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC001435342123 1064711141 /nfs/dbraw/zinc/71/11/41/1064711141.db2.gz HTWHBOMQYNHIRT-OAHLLOKOSA-N 0 0 455.352 4.987 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccsc2)cc1 ZINC001359951798 1064711088 /nfs/dbraw/zinc/71/10/88/1064711088.db2.gz GCYUWNODTSGUML-UHFFFAOYSA-N 0 0 467.639 4.572 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3c3ccco3)n2CC(=O)NC(C)C)cc1 ZINC001359951806 1064711394 /nfs/dbraw/zinc/71/13/94/1064711394.db2.gz GOAYCTUFQBTCOH-JOCHJYFZSA-N 0 0 465.598 4.829 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCOC(C)(C)C)cc1 ZINC001359952033 1064712743 /nfs/dbraw/zinc/71/27/43/1064712743.db2.gz LOJGCJRGSIVEBC-JOCHJYFZSA-N 0 0 481.645 4.618 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)NC[C@H](C)Oc3cccc(Br)c3)nc2)c1 ZINC001435344576 1064712860 /nfs/dbraw/zinc/71/28/60/1064712860.db2.gz FEMUARGJWSCREJ-HNNXBMFYSA-N 0 0 457.324 4.842 20 0 JJADRN O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC001435344245 1064712895 /nfs/dbraw/zinc/71/28/95/1064712895.db2.gz BUQIGGDGGJJPDL-GOSISDBHSA-N 0 0 456.409 4.948 20 0 JJADRN CC(C)(C)c1nc2ccc(NC(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)cc2s1 ZINC001435343990 1064712951 /nfs/dbraw/zinc/71/29/51/1064712951.db2.gz TWDPFILHABVHME-UHFFFAOYSA-N 0 0 457.621 4.705 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001359952081 1064713436 /nfs/dbraw/zinc/71/34/36/1064713436.db2.gz MJLJVFBHNGRGRR-UPVQGACJSA-N 0 0 456.631 4.658 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)c2ccccc2N(C)C1=O ZINC001435346073 1064714108 /nfs/dbraw/zinc/71/41/08/1064714108.db2.gz SBLQEWRVYCQJQC-CYBMUJFWSA-N 0 0 456.365 4.832 20 0 JJADRN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001435346348 1064714378 /nfs/dbraw/zinc/71/43/78/1064714378.db2.gz VBCRVYACYFTYCR-UHFFFAOYSA-N 0 0 454.246 4.585 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C(C)C)cc1 ZINC001435346604 1064714521 /nfs/dbraw/zinc/71/45/21/1064714521.db2.gz TZWFKLOGDKWVCL-UHFFFAOYSA-N 0 0 457.578 4.787 20 0 JJADRN O=C(NCCCNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccccc1F ZINC001435347765 1064714611 /nfs/dbraw/zinc/71/46/11/1064714611.db2.gz YTLKMVFWVCEJBE-QFIPXVFZSA-N 0 0 458.505 4.874 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CC2(S(C)(=O)=O)CC2)cc1 ZINC001359952384 1064714985 /nfs/dbraw/zinc/71/49/85/1064714985.db2.gz UTOOODVWWGMDOH-UHFFFAOYSA-N 0 0 474.671 4.574 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCCC2 ZINC001435348318 1064715143 /nfs/dbraw/zinc/71/51/43/1064715143.db2.gz FDYIIYSKBMMYOA-IJDCVRSUSA-N 0 0 454.567 4.746 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2C[C@@H]2C)cc1 ZINC001359952499 1064715874 /nfs/dbraw/zinc/71/58/74/1064715874.db2.gz XETRSLJEGPPHKU-NZQKXSOJSA-N 0 0 467.658 4.721 20 0 JJADRN CSc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1-c1ccccc1 ZINC001359953254 1064716858 /nfs/dbraw/zinc/71/68/58/1064716858.db2.gz FMXOHFSVBHPBBJ-QFIPXVFZSA-N 0 0 456.571 4.574 20 0 JJADRN CN1CCN(C(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c2ccc(F)cc21 ZINC001435350886 1064717107 /nfs/dbraw/zinc/71/71/07/1064717107.db2.gz SGXDCQRPYXEBNC-IBGZPJMESA-N 0 0 453.558 4.867 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCS(=O)(=O)c2cccc(Br)c2)o1 ZINC001435351736 1064717713 /nfs/dbraw/zinc/71/77/13/1064717713.db2.gz ZTJWQYVKJIJLLH-RDTXWAMCSA-N 0 0 454.386 4.514 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cnn(C)c2)cc1 ZINC001359954067 1064718339 /nfs/dbraw/zinc/71/83/39/1064718339.db2.gz AYHTWZXNUQMDCY-HHHXNRCGSA-N 0 0 480.657 4.793 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C ZINC001435353128 1064718576 /nfs/dbraw/zinc/71/85/76/1064718576.db2.gz UVJYYXAKEWVBSC-SFHVURJKSA-N 0 0 457.315 4.549 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001359954203 1064718391 /nfs/dbraw/zinc/71/83/91/1064718391.db2.gz GKPANMZHKOHSNK-JOCHJYFZSA-N 0 0 467.658 4.553 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001359954144 1064718470 /nfs/dbraw/zinc/71/84/70/1064718470.db2.gz DHEGVAQQWLOKNK-OQLXKQOESA-N 0 0 456.631 4.535 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001359954227 1064718805 /nfs/dbraw/zinc/71/88/05/1064718805.db2.gz CVMYYMPDQCWSEZ-KAKDDGLXSA-N 0 0 470.658 4.638 20 0 JJADRN COc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 ZINC001435353809 1064718837 /nfs/dbraw/zinc/71/88/37/1064718837.db2.gz YRKFLBVNXVEKEG-INIZCTEOSA-N 0 0 450.564 4.947 20 0 JJADRN COc1ccc(O[C@H](C)CNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 ZINC001435353810 1064719095 /nfs/dbraw/zinc/71/90/95/1064719095.db2.gz YRKFLBVNXVEKEG-MRXNPFEDSA-N 0 0 450.564 4.947 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)cc1 ZINC001435354144 1064719358 /nfs/dbraw/zinc/71/93/58/1064719358.db2.gz BZUVIRUIJNHEIO-HXUWFJFHSA-N 0 0 453.857 4.502 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3c(C)nc(-c4ccc(F)cc4)nc3SC)CC2)cc1 ZINC001435354557 1064719372 /nfs/dbraw/zinc/71/93/72/1064719372.db2.gz CQRSIUKWJMXMNH-UHFFFAOYSA-N 0 0 450.583 4.838 20 0 JJADRN O=C(Nc1c(F)cc(F)cc1F)c1cccc(Br)c1I ZINC001435354498 1064719404 /nfs/dbraw/zinc/71/94/04/1064719404.db2.gz AMGQXBAGEYWBNQ-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001359954339 1064719472 /nfs/dbraw/zinc/71/94/72/1064719472.db2.gz HRTKJOWBZBAEKW-UHFFFAOYSA-N 0 0 495.089 4.597 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCCCC2)CC1 ZINC001359954533 1064719950 /nfs/dbraw/zinc/71/99/50/1064719950.db2.gz KLPOWOOCTAUAGL-UHFFFAOYSA-N 0 0 454.619 4.537 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(Br)c(CC)c(Br)c2)cn1C ZINC001435355585 1064720615 /nfs/dbraw/zinc/72/06/15/1064720615.db2.gz NVLODRNHCSNRQP-UHFFFAOYSA-N 0 0 458.150 4.542 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1 ZINC001359954723 1064720894 /nfs/dbraw/zinc/72/08/94/1064720894.db2.gz LDCFVCOOHFFIGV-WZOHSFFVSA-N 0 0 458.672 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCc2ccncc2)cc1 ZINC001359954798 1064721461 /nfs/dbraw/zinc/72/14/61/1064721461.db2.gz LJHILIKAGQXBGE-RUZDIDTESA-N 0 0 463.626 4.869 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)n2)c1 ZINC001435357288 1064721731 /nfs/dbraw/zinc/72/17/31/1064721731.db2.gz OVYXWCQEALHISY-ZDUSSCGKSA-N 0 0 452.417 4.702 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C)c2nccs2)cc1 ZINC001359954909 1064722179 /nfs/dbraw/zinc/72/21/79/1064722179.db2.gz NQHKLFKTAZJUQX-OALUTQOASA-N 0 0 455.628 4.855 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cn(Cc2ccccc2)nn1 ZINC001435358280 1064722606 /nfs/dbraw/zinc/72/26/06/1064722606.db2.gz KTRZLYKBCSZBTH-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)cs2)cc1OC ZINC001435358204 1064722651 /nfs/dbraw/zinc/72/26/51/1064722651.db2.gz RXBFISSVKKBUIS-LBPRGKRZSA-N 0 0 454.483 4.507 20 0 JJADRN CC[C@H](C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001435359452 1064723128 /nfs/dbraw/zinc/72/31/28/1064723128.db2.gz AHIPLWSOLKJYHU-SJKOYZFVSA-N 0 0 459.337 4.789 20 0 JJADRN C[C@H](OC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2n1C ZINC001435359645 1064723192 /nfs/dbraw/zinc/72/31/92/1064723192.db2.gz BCLBFMZYCBXVPG-FYSMJZIKSA-N 0 0 455.942 4.880 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1F ZINC001435358932 1064723372 /nfs/dbraw/zinc/72/33/72/1064723372.db2.gz WDQQGWAXNLPBHI-HNNXBMFYSA-N 0 0 454.523 4.796 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)c1 ZINC001435359887 1064723635 /nfs/dbraw/zinc/72/36/35/1064723635.db2.gz ICPUJDSYIHSZKC-HNNXBMFYSA-N 0 0 456.269 4.704 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC2(CC(C)C)CC2)cc1 ZINC001359955231 1064724028 /nfs/dbraw/zinc/72/40/28/1064724028.db2.gz SDPPVGSHJIZYPM-UHFFFAOYSA-N 0 0 458.672 4.765 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360603 1064724063 /nfs/dbraw/zinc/72/40/63/1064724063.db2.gz LEXIFDBLHYZTAQ-VWDQUCSISA-N 0 0 456.214 4.640 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)[C@@H](Cc1cccnc1)C1CCCC1)c1ccc2c(c1)OCO2 ZINC001435360211 1064724379 /nfs/dbraw/zinc/72/43/79/1064724379.db2.gz GQUAYDJLZJEDGE-NRFANRHFSA-N 0 0 452.551 4.534 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[C@@H]2CCCCO2)cc1 ZINC001359955425 1064724568 /nfs/dbraw/zinc/72/45/68/1064724568.db2.gz WPQHFOMYCHFETJ-SFLYRZDNSA-N 0 0 456.631 4.536 20 0 JJADRN C[C@H](C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F)n1nnc(-c2ccccc2)n1 ZINC001435362978 1064724611 /nfs/dbraw/zinc/72/46/11/1064724611.db2.gz VIWNOFGGTFEQAF-ABAIWWIYSA-N 0 0 455.234 4.510 20 0 JJADRN C[C@H](OC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1nc2ccc(Cl)cc2n1C ZINC001435364356 1064725061 /nfs/dbraw/zinc/72/50/61/1064725061.db2.gz QFGDQFKTRVKJOV-ZDUSSCGKSA-N 0 0 456.857 4.816 20 0 JJADRN Cc1cccc(-n2cc(C(=O)O[C@@H](c3cc(Br)ccc3F)C(F)(F)F)nn2)c1 ZINC001435363607 1064725285 /nfs/dbraw/zinc/72/52/85/1064725285.db2.gz XLURFUVZZSLVFW-INIZCTEOSA-N 0 0 458.209 4.938 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC001435364368 1064725519 /nfs/dbraw/zinc/72/55/19/1064725519.db2.gz YBTWCRCCBARABV-QGZVFWFLSA-N 0 0 451.441 4.826 20 0 JJADRN C[C@@H](OC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2n1C ZINC001435364974 1064725611 /nfs/dbraw/zinc/72/56/11/1064725611.db2.gz VPASTDSWSQQTHP-GFCCVEGCSA-N 0 0 455.363 4.737 20 0 JJADRN C[C@H](OC(=O)c1ccc(F)c(I)c1)c1nc2cc(Cl)ccc2n1C ZINC001435364441 1064725628 /nfs/dbraw/zinc/72/56/28/1064725628.db2.gz RHHKHGGLYUGHIU-VIFPVBQESA-N 0 0 458.658 4.888 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2ccccc2F)CC1 ZINC001359957640 1064725622 /nfs/dbraw/zinc/72/56/22/1064725622.db2.gz CQWXIOBCIGVWDA-JOCHJYFZSA-N 0 0 458.622 4.976 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2cccs2)CC1 ZINC001359957534 1064725681 /nfs/dbraw/zinc/72/56/81/1064725681.db2.gz AHWTULSXPDJKMG-UHFFFAOYSA-N 0 0 456.660 4.749 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001435366613 1064726336 /nfs/dbraw/zinc/72/63/36/1064726336.db2.gz MYKBGVNVTXZRNH-UHFFFAOYSA-N 0 0 455.942 4.753 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1c(C)ccc(F)c1Br ZINC001435366951 1064726777 /nfs/dbraw/zinc/72/67/77/1064726777.db2.gz RIAMHLKYAVRVFX-UHFFFAOYSA-N 0 0 457.727 4.626 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001435368628 1064727214 /nfs/dbraw/zinc/72/72/14/1064727214.db2.gz HZVWKMKEVFVISP-UHFFFAOYSA-N 0 0 454.596 4.509 20 0 JJADRN Cc1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)[C@@H](C)C2)cc1C ZINC001435367943 1064727326 /nfs/dbraw/zinc/72/73/26/1064727326.db2.gz ARHUKVVENUSYLW-QFIPXVFZSA-N 0 0 454.636 4.517 20 0 JJADRN O=C(COc1ccccc1C(F)(F)F)N1CCOc2cc(Br)c(Cl)cc21 ZINC001435370387 1064727659 /nfs/dbraw/zinc/72/76/59/1064727659.db2.gz CNOYPXLEJMZRID-UHFFFAOYSA-N 0 0 450.638 4.926 20 0 JJADRN CC1(C)CCC[C@H]1NC(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001435369960 1064727701 /nfs/dbraw/zinc/72/77/01/1064727701.db2.gz AMCPXRXHPUDNNE-CQSZACIVSA-N 0 0 458.727 4.567 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(C)(C)O)CC1 ZINC001359958366 1064727968 /nfs/dbraw/zinc/72/79/68/1064727968.db2.gz TZDUMPMDAVHMDK-UHFFFAOYSA-N 0 0 467.614 4.793 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001359958544 1064728262 /nfs/dbraw/zinc/72/82/62/1064728262.db2.gz ZJBUMRRCPRZMKA-JYFHCDHNSA-N 0 0 462.679 4.883 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001359958543 1064728533 /nfs/dbraw/zinc/72/85/33/1064728533.db2.gz ZJBUMRRCPRZMKA-BVAGGSTKSA-N 0 0 462.679 4.883 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001359958591 1064728917 /nfs/dbraw/zinc/72/89/17/1064728917.db2.gz AKMRQEVKNDKRPU-RUZDIDTESA-N 0 0 461.050 4.823 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cc1OC ZINC001435375207 1064729095 /nfs/dbraw/zinc/72/90/95/1064729095.db2.gz HJENTAMWMVOPBM-HNNXBMFYSA-N 0 0 453.764 4.519 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)F)C1 ZINC001359958646 1064729201 /nfs/dbraw/zinc/72/92/01/1064729201.db2.gz CRXZOJBNZXMWSC-INIZCTEOSA-N 0 0 488.421 4.980 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Br)s2)nnc1N1CCOCC2(CC2)C1 ZINC001359958699 1064729376 /nfs/dbraw/zinc/72/93/76/1064729376.db2.gz FEGHGMKPJKVTBC-UHFFFAOYSA-N 0 0 483.476 4.839 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001435376425 1064729753 /nfs/dbraw/zinc/72/97/53/1064729753.db2.gz IMGHOHWMSUAHKB-HSZRJFAPSA-N 0 0 450.604 4.920 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001359958812 1064729811 /nfs/dbraw/zinc/72/98/11/1064729811.db2.gz IEVLSRGQDVIJAV-HHHXNRCGSA-N 0 0 467.658 4.554 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001359958805 1064729834 /nfs/dbraw/zinc/72/98/34/1064729834.db2.gz HXEGXTIEQNYAIR-HHHXNRCGSA-N 0 0 483.657 4.726 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001359959146 1064730807 /nfs/dbraw/zinc/73/08/07/1064730807.db2.gz SKTIDZICUGKTGJ-JOCHJYFZSA-N 0 0 491.011 4.502 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001435380553 1064731109 /nfs/dbraw/zinc/73/11/09/1064731109.db2.gz NEIWYEWZDKOAKE-ZJJDNZPOSA-N 0 0 454.239 4.622 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001359959281 1064731287 /nfs/dbraw/zinc/73/12/87/1064731287.db2.gz WVVRUQMDVMOIKL-JOCHJYFZSA-N 0 0 460.644 4.704 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)c2)n1 ZINC001435381349 1064731359 /nfs/dbraw/zinc/73/13/59/1064731359.db2.gz HGLRYSDGIYCKCB-UHFFFAOYSA-N 0 0 453.262 4.977 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001359959336 1064731703 /nfs/dbraw/zinc/73/17/03/1064731703.db2.gz XWXPBEFPSSMUML-CALCHBBNSA-N 0 0 483.426 4.913 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(Sc4ccccc4Cl)nn3)c2)n1 ZINC001435381389 1064731839 /nfs/dbraw/zinc/73/18/39/1064731839.db2.gz JOHPMOFDYGLGIU-UHFFFAOYSA-N 0 0 450.955 4.790 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001435382299 1064731946 /nfs/dbraw/zinc/73/19/46/1064731946.db2.gz BKJSJORXDJJFOW-AREMUKBSSA-N 0 0 450.276 4.874 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001359960326 1064732215 /nfs/dbraw/zinc/73/22/15/1064732215.db2.gz NMDSTGKIMNDAJB-HXUWFJFHSA-N 0 0 451.419 4.808 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 ZINC001435383703 1064732487 /nfs/dbraw/zinc/73/24/87/1064732487.db2.gz GXVJKEUZYOHGOB-UHFFFAOYSA-N 0 0 453.926 4.775 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001359960753 1064732894 /nfs/dbraw/zinc/73/28/94/1064732894.db2.gz CTYZOLHDWNTTHS-PKTZIBPZSA-N 0 0 478.584 4.829 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)ccc2C)ccn1 ZINC001435384670 1064733311 /nfs/dbraw/zinc/73/33/11/1064733311.db2.gz KCRLCLSIXREAQZ-QFIPXVFZSA-N 0 0 451.910 4.795 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001359961538 1064734463 /nfs/dbraw/zinc/73/44/63/1064734463.db2.gz YCIMXKHVWQUICQ-SJBKTWHCSA-N 0 0 462.660 4.653 20 0 JJADRN CSc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1Br ZINC001435386714 1064734500 /nfs/dbraw/zinc/73/45/00/1064734500.db2.gz SDGWKMNJYGPPOC-CABCVRRESA-N 0 0 455.418 4.785 20 0 JJADRN CO[C@H](C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1)c1cnn(C)c1 ZINC001435387430 1064734809 /nfs/dbraw/zinc/73/48/09/1064734809.db2.gz SBNSNVSHVFPXGB-SFHVURJKSA-N 0 0 450.720 4.955 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001435388946 1064734852 /nfs/dbraw/zinc/73/48/52/1064734852.db2.gz VURSTHAIFSBQCM-JGCGQSQUSA-N 0 0 458.465 4.998 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001359961914 1064734850 /nfs/dbraw/zinc/73/48/50/1064734850.db2.gz IERPKTFGZTWJFR-GHTZIAJQSA-N 0 0 464.557 4.725 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)OCc2ccc(Cl)cc2Cl)C1 ZINC001435386971 1064734944 /nfs/dbraw/zinc/73/49/44/1064734944.db2.gz OJGGNUXPCHCUJX-AVRDEDQJSA-N 0 0 452.334 4.853 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1SCc1ccco1 ZINC001435390404 1064735450 /nfs/dbraw/zinc/73/54/50/1064735450.db2.gz BBQYBDHVBHRBDS-UHFFFAOYSA-N 0 0 459.321 4.918 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21)C(C)(C)C ZINC001435389403 1064735498 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KPURLLIHCQIDCE-CYBMUJFWSA-N 0 0 455.356 4.626 20 0 JJADRN CCO[C@H](C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1)C1CCOCC1 ZINC001435392799 1064736772 /nfs/dbraw/zinc/73/67/72/1064736772.db2.gz GGZZTKFQMGVURI-FQEVSTJZSA-N 0 0 458.356 4.763 20 0 JJADRN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 ZINC001435393255 1064737127 /nfs/dbraw/zinc/73/71/27/1064737127.db2.gz MEPRWQDEUVSCAW-HXUWFJFHSA-N 0 0 455.356 4.626 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001359964091 1064737411 /nfs/dbraw/zinc/73/74/11/1064737411.db2.gz JZNFFNBVBXHDRO-UWJYYQICSA-N 0 0 450.986 4.806 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001359964090 1064737486 /nfs/dbraw/zinc/73/74/86/1064737486.db2.gz JZNFFNBVBXHDRO-UTKZUKDTSA-N 0 0 450.986 4.806 20 0 JJADRN CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCCC2)C1 ZINC001359964157 1064737951 /nfs/dbraw/zinc/73/79/51/1064737951.db2.gz MQRQAWBQMXXTPB-UHFFFAOYSA-N 0 0 464.557 4.759 20 0 JJADRN 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CC(C)CCOCCn1c(-c2ccccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001359965270 1064740479 /nfs/dbraw/zinc/74/04/79/1064740479.db2.gz WWNBBGRLKQFPDB-UHFFFAOYSA-N 0 0 478.494 4.518 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001359965134 1064740494 /nfs/dbraw/zinc/74/04/94/1064740494.db2.gz RJFOIKREWHIJAT-OAQYLSRUSA-N 0 0 487.446 4.845 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001359965204 1064740601 /nfs/dbraw/zinc/74/06/01/1064740601.db2.gz UVHPYJWNVXSHPE-JOCHJYFZSA-N 0 0 473.980 4.773 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001435401109 1064740660 /nfs/dbraw/zinc/74/06/60/1064740660.db2.gz BNTHTVFRFXKIGO-QGZVFWFLSA-N 0 0 455.274 4.906 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N(Cc1cccs1)CC(F)(F)F ZINC001435401715 1064740703 /nfs/dbraw/zinc/74/07/03/1064740703.db2.gz CPGMSQAAJSVAOI-UHFFFAOYSA-N 0 0 458.097 4.873 20 0 JJADRN C[C@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1ccc(-c2ccncc2)cc1 ZINC001435401549 1064740792 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/nfs/dbraw/zinc/75/85/33/1064758533.db2.gz LYYRWNLVZCPGOJ-GJZGRUSLSA-N 0 0 451.792 4.873 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3C(C)(C)C3(C)C)[C@H]2c2ccccc2OC)cc1 ZINC001435440357 1064758585 /nfs/dbraw/zinc/75/85/85/1064758585.db2.gz XLZFAXSRLOCKRM-NFBKMPQASA-N 0 0 450.579 4.739 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)C(C)(C)C)C(C)C ZINC001359982971 1064759242 /nfs/dbraw/zinc/75/92/42/1064759242.db2.gz IHRSFJBWIPLQTO-GOSISDBHSA-N 0 0 468.639 4.641 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccccc2CC(=O)OC)cc1Br ZINC001435442991 1064759850 /nfs/dbraw/zinc/75/98/50/1064759850.db2.gz YCKPRRMPXCANNT-UHFFFAOYSA-N 0 0 455.146 4.742 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359983159 1064759768 /nfs/dbraw/zinc/75/97/68/1064759768.db2.gz UDBQSTZQEZISGZ-UHFFFAOYSA-N 0 0 468.911 4.654 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001435444217 1064760309 /nfs/dbraw/zinc/76/03/09/1064760309.db2.gz UTFQFLDSSUUCHE-CABCVRRESA-N 0 0 454.995 4.820 20 0 JJADRN CC(C)CN(c1nnc(C2(c3ccccc3)CCC2)n1CC1(S(C)(=O)=O)CCCC1)C(C)C ZINC001359983708 1064760719 /nfs/dbraw/zinc/76/07/19/1064760719.db2.gz WPJQKUIVJUAEBT-UHFFFAOYSA-N 0 0 472.699 4.976 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001435445511 1064761247 /nfs/dbraw/zinc/76/12/47/1064761247.db2.gz KHSNCGGEBBCWQG-CYBMUJFWSA-N 0 0 457.918 4.552 20 0 JJADRN CCc1c(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)nnn1-c1cccc(Cl)c1 ZINC001359984246 1064761507 /nfs/dbraw/zinc/76/15/07/1064761507.db2.gz BRUOGDKUNQPXIX-UHFFFAOYSA-N 0 0 454.958 4.743 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(F)c(F)c1F)C(C)C ZINC001359984641 1064762094 /nfs/dbraw/zinc/76/20/94/1064762094.db2.gz BTHYURNGTIMNFF-DEOSSOPVSA-N 0 0 468.564 4.850 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)C(C)C ZINC001359984608 1064762155 /nfs/dbraw/zinc/76/21/55/1064762155.db2.gz BASNYFSWEBBYQM-WMZHIEFXSA-N 0 0 494.478 4.645 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)NCCC(=O)Nc3cc(Cl)ccc3OC)c2c1 ZINC001435447090 1064762357 /nfs/dbraw/zinc/76/23/57/1064762357.db2.gz GGJINVIQVUNIMZ-UHFFFAOYSA-N 0 0 453.926 4.541 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC001435446768 1064762432 /nfs/dbraw/zinc/76/24/32/1064762432.db2.gz CNCLALUGQGPUIC-UHFFFAOYSA-N 0 0 451.133 4.809 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)c2ccccc2)cc1Br ZINC001359984821 1064762771 /nfs/dbraw/zinc/76/27/71/1064762771.db2.gz MDUHQXLJJDHAJT-PKTZIBPZSA-N 0 0 454.364 4.921 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCCOc3c(Cl)cc(Cl)cc3Cl)CC2=O)ccc1F ZINC001435447748 1064763092 /nfs/dbraw/zinc/76/30/92/1064763092.db2.gz NDXRHPBOJOSGJK-LBPRGKRZSA-N 0 0 459.732 4.642 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001435448538 1064763625 /nfs/dbraw/zinc/76/36/25/1064763625.db2.gz FISLITYELYUQHH-LLVKDONJSA-N 0 0 459.251 4.791 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCOC1)C(C)C ZINC001359985255 1064763976 /nfs/dbraw/zinc/76/39/76/1064763976.db2.gz JZBNJLIEDRNUJK-XMMPIXPASA-N 0 0 458.603 4.835 20 0 JJADRN COc1cc(/C=C\C(=O)N2CCOc3c(Cl)cccc32)ccc1OCc1c(C)noc1C ZINC001435449806 1064764112 /nfs/dbraw/zinc/76/41/12/1064764112.db2.gz KRKZHDWABIQYJH-NTMALXAHSA-N 0 0 454.910 4.971 20 0 JJADRN COc1cc(CN2CCN(C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC001435451748 1064764661 /nfs/dbraw/zinc/76/46/61/1064764661.db2.gz IHIJEJGEQWFCRY-QGZVFWFLSA-N 0 0 450.501 4.561 20 0 JJADRN COc1ncc(C)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC001435451061 1064764696 /nfs/dbraw/zinc/76/46/96/1064764696.db2.gz WJSJSMUZPHUQFC-UHFFFAOYSA-N 0 0 456.285 4.758 20 0 JJADRN CCCOc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)c(OC(F)F)c1 ZINC001435453175 1064765220 /nfs/dbraw/zinc/76/52/20/1064765220.db2.gz ATVBFWFZEKCWHE-UHFFFAOYSA-N 0 0 458.299 4.843 20 0 JJADRN CCOC(=O)CN(C(=O)c1cn(-c2cccc(F)c2)nc1C)c1cc(Cl)cc(Cl)c1 ZINC001435452076 1064765324 /nfs/dbraw/zinc/76/53/24/1064765324.db2.gz RDKTWMAXLKZIMD-UHFFFAOYSA-N 0 0 450.297 4.837 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435453898 1064765671 /nfs/dbraw/zinc/76/56/71/1064765671.db2.gz AUBRYEBTQANPCG-PMACEKPBSA-N 0 0 451.792 4.512 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435453873 1064765909 /nfs/dbraw/zinc/76/59/09/1064765909.db2.gz AILTXHBKRWVCPX-PMACEKPBSA-N 0 0 456.455 4.750 20 0 JJADRN CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435453930 1064765947 /nfs/dbraw/zinc/76/59/47/1064765947.db2.gz BDVPMOHCBFLXPF-SFTDATJTSA-N 0 0 459.428 4.784 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435454847 1064766501 /nfs/dbraw/zinc/76/65/01/1064766501.db2.gz FFNCHBNOFGNSIC-WOJBJXKFSA-N 0 0 451.792 4.512 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(F)(F)F)C1CCCC1 ZINC001359986120 1064766551 /nfs/dbraw/zinc/76/65/51/1064766551.db2.gz ZLOXVFCBVZHSHX-UHFFFAOYSA-N 0 0 476.551 4.914 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F)C1CCCC1 ZINC001359986086 1064766658 /nfs/dbraw/zinc/76/66/58/1064766658.db2.gz YFJUMUYYFCJYQP-UHFFFAOYSA-N 0 0 490.418 4.555 20 0 JJADRN CC[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435454846 1064766566 /nfs/dbraw/zinc/76/65/66/1064766566.db2.gz FFNCHBNOFGNSIC-VQTJNVASSA-N 0 0 451.792 4.512 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccc2Br)n1CCN1CCOC[C@H]1C)C1CCCC1 ZINC001359986396 1064767116 /nfs/dbraw/zinc/76/71/16/1064767116.db2.gz KUKLOIUWMQNBSG-LJQANCHMSA-N 0 0 490.490 4.833 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001359986271 1064767225 /nfs/dbraw/zinc/76/72/25/1064767225.db2.gz FWKGOYXDLNTYEV-LJQANCHMSA-N 0 0 456.635 4.906 20 0 JJADRN CC(C)CN(c1nnc(-c2ccccc2Br)n1CCCC(=O)NC1CC1)C(C)C ZINC001359986557 1064767654 /nfs/dbraw/zinc/76/76/54/1064767654.db2.gz QISXCVNCJOGOMF-UHFFFAOYSA-N 0 0 462.436 4.637 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl)C(C)(C)C ZINC001435456556 1064767868 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4.953 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCc2ccccc2Sc2ccccc2)cc1 ZINC001359988200 1064769183 /nfs/dbraw/zinc/76/91/83/1064769183.db2.gz WOPRIORJVOYAHJ-SFHVURJKSA-N 0 0 455.601 4.573 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001359988550 1064769318 /nfs/dbraw/zinc/76/93/18/1064769318.db2.gz JODKOMODGFTKDE-SCLBCKFNSA-N 0 0 459.296 4.724 20 0 JJADRN CC(C)CN(c1nnc(C2CCC2)n1CCNc1nccc(C(F)(F)F)n1)C1CCCC1 ZINC001359989051 1064769835 /nfs/dbraw/zinc/76/98/35/1064769835.db2.gz CRQGHESJSCOSKK-UHFFFAOYSA-N 0 0 451.541 4.872 20 0 JJADRN CC(C)CN(c1nnc(C2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC001359989140 1064770192 /nfs/dbraw/zinc/77/01/92/1064770192.db2.gz FLTXVPGLORFQBT-UHFFFAOYSA-N 0 0 474.671 4.823 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)C(F)(F)F ZINC001435460673 1064770228 /nfs/dbraw/zinc/77/02/28/1064770228.db2.gz MHHJDTVHHPTGBD-FQEVSTJZSA-N 0 0 450.436 4.619 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1 ZINC001435461253 1064770712 /nfs/dbraw/zinc/77/07/12/1064770712.db2.gz XWCSICDRALNRDJ-ZDUSSCGKSA-N 0 0 458.427 4.770 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1)C1CCCC1 ZINC001359989704 1064770852 /nfs/dbraw/zinc/77/08/52/1064770852.db2.gz DAJBBKGRSQYHLN-KRWDZBQOSA-N 0 0 467.536 4.680 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359989878 1064771324 /nfs/dbraw/zinc/77/13/24/1064771324.db2.gz QYMDUEYVRLGMQR-JPYJTQIMSA-N 0 0 466.548 4.637 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC001359990232 1064772209 /nfs/dbraw/zinc/77/22/09/1064772209.db2.gz KQAINXLIBHLXQI-NRFANRHFSA-N 0 0 473.662 4.754 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1)C(C)C ZINC001359990855 1064772616 /nfs/dbraw/zinc/77/26/16/1064772616.db2.gz RHSUFZHJYCTDIS-WOJBJXKFSA-N 0 0 481.707 4.601 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)C(C)C ZINC001359991245 1064773114 /nfs/dbraw/zinc/77/31/14/1064773114.db2.gz WTLXEFUDZGYWIE-NRFANRHFSA-N 0 0 480.632 4.547 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(Cl)ccc1I ZINC001435465518 1064773333 /nfs/dbraw/zinc/77/33/33/1064773333.db2.gz YZOIVUCKLCEGQL-HNNXBMFYSA-N 0 0 454.739 4.815 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C ZINC001359991249 1064773371 /nfs/dbraw/zinc/77/33/71/1064773371.db2.gz WTLXEFUDZGYWIE-OAQYLSRUSA-N 0 0 480.632 4.547 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)OC2(C)C)cc1 ZINC001435465881 1064773758 /nfs/dbraw/zinc/77/37/58/1064773758.db2.gz UATLHKHFOXSMQP-IIBYNOLFSA-N 0 0 452.551 4.621 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCC(F)(F)F)nc1)C(C)C ZINC001359991926 1064773891 /nfs/dbraw/zinc/77/38/91/1064773891.db2.gz JRVATEISUXGCLF-UHFFFAOYSA-N 0 0 462.520 4.519 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001435465643 1064773931 /nfs/dbraw/zinc/77/39/31/1064773931.db2.gz YWDVLHYWVKFRTR-HNNXBMFYSA-N 0 0 450.407 4.652 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccsc2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CCCC1 ZINC001359992333 1064774515 /nfs/dbraw/zinc/77/45/15/1064774515.db2.gz SADDWFWLFHXPKX-FQEVSTJZSA-N 0 0 485.620 4.599 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)c1)C1CCCC1 ZINC001359992804 1064774921 /nfs/dbraw/zinc/77/49/21/1064774921.db2.gz DMBSGTLRCQSMJO-SZPZYZBQSA-N 0 0 499.704 4.820 20 0 JJADRN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001359992954 1064775627 /nfs/dbraw/zinc/77/56/27/1064775627.db2.gz LBAQFHRMSZSLOE-OAHLLOKOSA-N 0 0 454.379 4.563 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCOCC1)C1CCCC1 ZINC001359993123 1064775996 /nfs/dbraw/zinc/77/59/96/1064775996.db2.gz OJBROSQNHZMWTA-FGZHOGPDSA-N 0 0 462.679 4.533 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1 ZINC001435470253 1064776414 /nfs/dbraw/zinc/77/64/14/1064776414.db2.gz TYJQBRCUNUSUGE-JOCHJYFZSA-N 0 0 456.995 4.987 20 0 JJADRN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc(Br)nc3)[C@@H]2c2cccs2)cc1 ZINC001435469761 1064776611 /nfs/dbraw/zinc/77/66/11/1064776611.db2.gz KFEGIHHLVXBXDB-OXQOHEQNSA-N 0 0 456.365 4.947 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001435470228 1064776627 /nfs/dbraw/zinc/77/66/27/1064776627.db2.gz SSWOHYLUVROIBR-HSZRJFAPSA-N 0 0 456.546 4.789 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 ZINC001492596749 1064776781 /nfs/dbraw/zinc/77/67/81/1064776781.db2.gz NNWHDAVYGHRXPC-INIZCTEOSA-N 0 0 499.438 4.971 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1cccc(Cl)c1)C(C)C ZINC001359993296 1064776822 /nfs/dbraw/zinc/77/68/22/1064776822.db2.gz QEWVOYOSHKLXPK-XMMPIXPASA-N 0 0 490.073 4.702 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1Cc1c(F)cc(F)c(F)c1F)C(C)C ZINC001359993519 1064777307 /nfs/dbraw/zinc/77/73/07/1064777307.db2.gz VVYHWQBLLBXHFZ-UHFFFAOYSA-N 0 0 483.535 4.745 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1 ZINC001435472102 1064777447 /nfs/dbraw/zinc/77/74/47/1064777447.db2.gz BAGCTELSABZTES-HOCLYGCPSA-N 0 0 450.348 4.625 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)cc1 ZINC001435472917 1064777539 /nfs/dbraw/zinc/77/75/39/1064777539.db2.gz VNKYPHRVSVWATA-KBPBESRZSA-N 0 0 455.407 4.830 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@@](C)=O)CC1)C1CCCC1 ZINC001359993576 1064777579 /nfs/dbraw/zinc/77/75/79/1064777579.db2.gz YKKIXKWETCQUDE-IYZCWWITSA-N 0 0 450.693 4.513 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(C)(C)O)cc1)C1CCCC1 ZINC001359993577 1064777802 /nfs/dbraw/zinc/77/78/02/1064777802.db2.gz YMSNOPJMEQAKRW-UHFFFAOYSA-N 0 0 495.693 4.950 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c(=O)[nH]1 ZINC001435474216 1064778497 /nfs/dbraw/zinc/77/84/97/1064778497.db2.gz PZVWQLUHWLQABE-CYBMUJFWSA-N 0 0 459.315 4.725 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)[C@]1(C)CC1(Br)Br ZINC001435474081 1064778510 /nfs/dbraw/zinc/77/85/10/1064778510.db2.gz BMGLRCBUCBZIJE-LBPRGKRZSA-N 0 0 455.972 4.682 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)Sc3ccccc32)c1)c1ccccc1 ZINC001435473537 1064778739 /nfs/dbraw/zinc/77/87/39/1064778739.db2.gz ISCYPLXABZWPLR-QZTJIDSGSA-N 0 0 452.601 4.867 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC001435475304 1064779186 /nfs/dbraw/zinc/77/91/86/1064779186.db2.gz ZWVVSBBLWQIVOQ-BLVKFPJESA-N 0 0 455.755 4.556 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995084 1064779153 /nfs/dbraw/zinc/77/91/53/1064779153.db2.gz UYPHUKOLUJWBGS-QZTJIDSGSA-N 0 0 461.582 4.564 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359995063 1064779189 /nfs/dbraw/zinc/77/91/89/1064779189.db2.gz SYSJFRVFSBAOCI-INIZCTEOSA-N 0 0 459.944 4.802 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001435475395 1064779509 /nfs/dbraw/zinc/77/95/09/1064779509.db2.gz APUGMLUOLQOLKU-LLVKDONJSA-N 0 0 457.704 4.695 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001359995109 1064779598 /nfs/dbraw/zinc/77/95/98/1064779598.db2.gz WAWXMZNVGYBXQB-HOLBHBGLSA-N 0 0 478.460 4.637 20 0 JJADRN Cc1ccc(CNC(=O)CSc2cccc(Br)c2)c(OC[C@H]2CCOC2)c1 ZINC001435476969 1064780122 /nfs/dbraw/zinc/78/01/22/1064780122.db2.gz LNKKJRFATGZSMC-INIZCTEOSA-N 0 0 450.398 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)C1 ZINC001435476547 1064780238 /nfs/dbraw/zinc/78/02/38/1064780238.db2.gz AACPIXHZRALACC-JOCHJYFZSA-N 0 0 459.550 4.545 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C ZINC001435476787 1064780315 /nfs/dbraw/zinc/78/03/15/1064780315.db2.gz YDPLNJDNAQKJSD-OAQYLSRUSA-N 0 0 455.393 4.756 20 0 JJADRN CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001359995214 1064780358 /nfs/dbraw/zinc/78/03/58/1064780358.db2.gz BZFOHGGAOIDJDW-HZPDHXFCSA-N 0 0 464.632 4.727 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001359995330 1064780573 /nfs/dbraw/zinc/78/05/73/1064780573.db2.gz JXLCFKXFJBALJL-UHFFFAOYSA-N 0 0 481.851 4.800 20 0 JJADRN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001359995415 1064780670 /nfs/dbraw/zinc/78/06/70/1064780670.db2.gz PSNAORFBCMHVOC-UHFFFAOYSA-N 0 0 468.430 4.574 20 0 JJADRN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001359995359 1064780717 /nfs/dbraw/zinc/78/07/17/1064780717.db2.gz LWHJVTMUVDMSPO-NRFANRHFSA-N 0 0 464.557 4.757 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359995456 1064780849 /nfs/dbraw/zinc/78/08/49/1064780849.db2.gz SJLDRTZHXITODM-UHFFFAOYSA-N 0 0 478.435 4.857 20 0 JJADRN Cc1ccc(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC001435477901 1064780848 /nfs/dbraw/zinc/78/08/48/1064780848.db2.gz RNKNYYNURYKWAF-MRXNPFEDSA-N 0 0 451.460 4.916 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c1 ZINC001435478739 1064781085 /nfs/dbraw/zinc/78/10/85/1064781085.db2.gz NNAAQNJWXHCXFF-FQEVSTJZSA-N 0 0 450.604 4.804 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)c1 ZINC001435478709 1064781099 /nfs/dbraw/zinc/78/10/99/1064781099.db2.gz MMFCSWIXXBJTCR-HNNXBMFYSA-N 0 0 459.955 4.856 20 0 JJADRN O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001435479320 1064781554 /nfs/dbraw/zinc/78/15/54/1064781554.db2.gz GVQJSCLWXGQITQ-UHFFFAOYSA-N 0 0 452.913 4.549 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)c1 ZINC001435479086 1064781579 /nfs/dbraw/zinc/78/15/79/1064781579.db2.gz SYJHUEHEFKIBGW-LLVKDONJSA-N 0 0 451.322 4.801 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cc3cccc(F)c3)n2)c(C)c1 ZINC001359996274 1064781645 /nfs/dbraw/zinc/78/16/45/1064781645.db2.gz PQBHMXJQMRNDTR-FQEVSTJZSA-N 0 0 455.580 4.644 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359996555 1064781794 /nfs/dbraw/zinc/78/17/94/1064781794.db2.gz WDAZQUDDWCAETB-JRZXSTLUSA-N 0 0 455.451 4.866 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001435481672 1064782251 /nfs/dbraw/zinc/78/22/51/1064782251.db2.gz JCMGZXJLUFDCJC-IBHRTIHJSA-N 0 0 450.982 4.583 20 0 JJADRN COc1cc(OC)c(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1F ZINC001435481016 1064782348 /nfs/dbraw/zinc/78/23/48/1064782348.db2.gz FNQODQCMLNEDPB-UHFFFAOYSA-N 0 0 458.486 4.965 20 0 JJADRN CO[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccccc1Cl ZINC001435482218 1064782669 /nfs/dbraw/zinc/78/26/69/1064782669.db2.gz LGLKSDMLFWHDNV-QGZVFWFLSA-N 0 0 452.711 4.545 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCOc3ccc(F)cc32)c1)c1ccc(Br)cc1 ZINC001435481977 1064782682 /nfs/dbraw/zinc/78/26/82/1064782682.db2.gz DTWKYWYCAAZXHU-UHFFFAOYSA-N 0 0 455.283 4.880 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001359997458 1064782748 /nfs/dbraw/zinc/78/27/48/1064782748.db2.gz BMHMTPFHCDRZPV-LJQANCHMSA-N 0 0 451.384 4.898 20 0 JJADRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1OCc1ccccc1Cl ZINC001435482085 1064782761 /nfs/dbraw/zinc/78/27/61/1064782761.db2.gz GTHZWMWKAVNLPE-HXUWFJFHSA-N 0 0 456.876 4.733 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@H](C)N4CCOCC4)c3)s2)c(F)c1 ZINC001359997312 1064782916 /nfs/dbraw/zinc/78/29/16/1064782916.db2.gz VLKWVWAQCKMBRL-INIZCTEOSA-N 0 0 455.555 4.912 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC001359997953 1064783825 /nfs/dbraw/zinc/78/38/25/1064783825.db2.gz AOGIBKYVTLZVLW-GOSISDBHSA-N 0 0 459.543 4.859 20 0 JJADRN CC(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359997980 1064783906 /nfs/dbraw/zinc/78/39/06/1064783906.db2.gz JGIYPOSDNJDXMZ-CRAIPNDOSA-N 0 0 462.520 4.527 20 0 JJADRN CC(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359998252 1064784259 /nfs/dbraw/zinc/78/42/59/1064784259.db2.gz YENZTDQQFGONSL-ROUUACIJSA-N 0 0 452.603 4.822 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3C)s2)cc1 ZINC001359998327 1064784464 /nfs/dbraw/zinc/78/44/64/1064784464.db2.gz FZONRQDZTNIJQG-LJQANCHMSA-N 0 0 453.589 4.589 20 0 JJADRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001359998382 1064784474 /nfs/dbraw/zinc/78/44/74/1064784474.db2.gz HAPADHMKJFKLNI-AWEZNQCLSA-N 0 0 453.427 4.607 20 0 JJADRN C[C@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC001359998711 1064784838 /nfs/dbraw/zinc/78/48/38/1064784838.db2.gz FXGCOYAGIOCQHD-HNAYVOBHSA-N 0 0 459.612 4.989 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC001435485434 1064784849 /nfs/dbraw/zinc/78/48/49/1064784849.db2.gz SRKXZRZJWJNVGP-CYBMUJFWSA-N 0 0 451.354 4.589 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1Br ZINC001435484942 1064784918 /nfs/dbraw/zinc/78/49/18/1064784918.db2.gz QXENDCDLMDFDKB-UHFFFAOYSA-N 0 0 450.745 4.993 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC001435484933 1064784933 /nfs/dbraw/zinc/78/49/33/1064784933.db2.gz QTNIULMWKRFJBB-HWBMXIPRSA-N 0 0 459.590 4.862 20 0 JJADRN O=C(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435485735 1064784986 /nfs/dbraw/zinc/78/49/86/1064784986.db2.gz VMPAFMVMHHDWBN-AWEZNQCLSA-N 0 0 451.445 4.857 20 0 JJADRN O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001435486110 1064785001 /nfs/dbraw/zinc/78/50/01/1064785001.db2.gz ZSRXBIVEOPUBTR-UHFFFAOYSA-N 0 0 453.420 4.638 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC001435486917 1064785451 /nfs/dbraw/zinc/78/54/51/1064785451.db2.gz CYVPFHURTGIUTD-UHFFFAOYSA-N 0 0 450.373 4.890 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC001435488216 1064785944 /nfs/dbraw/zinc/78/59/44/1064785944.db2.gz CWPJBNWRKXANOG-UHFFFAOYSA-N 0 0 453.583 4.782 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)CCC2 ZINC001435487768 1064786022 /nfs/dbraw/zinc/78/60/22/1064786022.db2.gz FMSFDLALMSTHQH-YVEFUNNKSA-N 0 0 452.407 4.901 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1nc(Br)ccc1Br)CCC2 ZINC001435488084 1064786058 /nfs/dbraw/zinc/78/60/58/1064786058.db2.gz JGCNNRXPDBTJFH-NSHDSACASA-N 0 0 459.207 4.775 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC001359999431 1064786008 /nfs/dbraw/zinc/78/60/08/1064786008.db2.gz RIKDKNCKDDZGFM-QFIPXVFZSA-N 0 0 458.027 4.695 20 0 JJADRN CC(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000146 1064786341 /nfs/dbraw/zinc/78/63/41/1064786341.db2.gz APBDHVOXQVCMFI-IAGOWNOFSA-N 0 0 463.573 4.543 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC001359999879 1064786462 /nfs/dbraw/zinc/78/64/62/1064786462.db2.gz ZFAVDFSMNNEQQH-ZWKOTPCHSA-N 0 0 451.361 4.622 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCC2 ZINC001435489539 1064786998 /nfs/dbraw/zinc/78/69/98/1064786998.db2.gz ZFOYCSJPRSTUNX-GOSISDBHSA-N 0 0 459.413 4.862 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC001435490434 1064787011 /nfs/dbraw/zinc/78/70/11/1064787011.db2.gz XYTOZYBMHFVLEK-UHFFFAOYSA-N 0 0 454.445 4.913 20 0 JJADRN CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 ZINC001360001246 1064786987 /nfs/dbraw/zinc/78/69/87/1064786987.db2.gz ZXWOPXBWGOHSJY-JOCHJYFZSA-N 0 0 487.620 4.593 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001360000806 1064786999 /nfs/dbraw/zinc/78/69/99/1064786999.db2.gz QMWYSVXHWNYBKY-UHFFFAOYSA-N 0 0 470.980 4.568 20 0 JJADRN CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 ZINC001360001247 1064787029 /nfs/dbraw/zinc/78/70/29/1064787029.db2.gz ZXWOPXBWGOHSJY-QFIPXVFZSA-N 0 0 487.620 4.593 20 0 JJADRN CN(C)c1cccc(CN(C)C(=O)CCCCc2ccc(I)cc2)c1 ZINC001435491690 1064787412 /nfs/dbraw/zinc/78/74/12/1064787412.db2.gz OFRRNBPHMVFJQE-UHFFFAOYSA-N 0 0 450.364 4.729 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001360001362 1064787428 /nfs/dbraw/zinc/78/74/28/1064787428.db2.gz LDRMYUYWOFMLJM-YPAWHYETSA-N 0 0 475.678 4.692 20 0 JJADRN O=C(Oc1cc(F)ccc1Br)c1cnn(Cc2ccccc2)c1Br ZINC001435491293 1064787511 /nfs/dbraw/zinc/78/75/11/1064787511.db2.gz JOFFOMLTGXBWKG-UHFFFAOYSA-N 0 0 454.093 4.815 20 0 JJADRN NC(=O)C[C@H](NC(=O)CCCSc1ccc(Br)cc1)c1ccccc1Cl ZINC001435490769 1064787538 /nfs/dbraw/zinc/78/75/38/1064787538.db2.gz OFEAUYCXTLIGOQ-KRWDZBQOSA-N 0 0 455.805 4.708 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H](CC(N)=O)c1ccccc1Cl ZINC001435492074 1064787559 /nfs/dbraw/zinc/78/75/59/1064787559.db2.gz QNTHHUGVNMLFDH-MRXNPFEDSA-N 0 0 452.725 4.957 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 ZINC001360002064 1064787985 /nfs/dbraw/zinc/78/79/85/1064787985.db2.gz GIIFNVDFPWBFAI-QFIPXVFZSA-N 0 0 454.498 4.794 20 0 JJADRN CC(C)(C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc2c(c1)OCO2 ZINC001435494275 1064788456 /nfs/dbraw/zinc/78/84/56/1064788456.db2.gz DJMVXDGUMQCEAG-UHFFFAOYSA-N 0 0 456.296 4.676 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)s1 ZINC001360002379 1064788558 /nfs/dbraw/zinc/78/85/58/1064788558.db2.gz KKDXMUISZPASGG-DOTOQJQBSA-N 0 0 457.621 4.633 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCn1cnc2ccccc2c1=O ZINC001360002782 1064789040 /nfs/dbraw/zinc/78/90/40/1064789040.db2.gz OSIJFCVRYCVESV-CQSZACIVSA-N 0 0 452.967 4.749 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCc2ccc(Br)s2)cc1 ZINC001360003885 1064789541 /nfs/dbraw/zinc/78/95/41/1064789541.db2.gz XZAAJERKUXCCFJ-INIZCTEOSA-N 0 0 453.427 4.682 20 0 JJADRN Cc1cc(F)cc(NC(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001435496378 1064790062 /nfs/dbraw/zinc/79/00/62/1064790062.db2.gz GSKBDGCABLNFEI-UHFFFAOYSA-N 0 0 452.301 4.716 20 0 JJADRN CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001360004059 1064790302 /nfs/dbraw/zinc/79/03/02/1064790302.db2.gz DJFXFOCGWYKGOJ-UNMCSNQZSA-N 0 0 459.034 4.636 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)C1 ZINC001435497852 1064790559 /nfs/dbraw/zinc/79/05/59/1064790559.db2.gz TWBHNUORLZXSLN-BXUZGUMPSA-N 0 0 456.383 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)C1 ZINC001435497859 1064790781 /nfs/dbraw/zinc/79/07/81/1064790781.db2.gz TWBHNUORLZXSLN-RISCZKNCSA-N 0 0 456.383 4.754 20 0 JJADRN O=C(NCc1ccc2c(c1)CCS2(=O)=O)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001435499424 1064791236 /nfs/dbraw/zinc/79/12/36/1064791236.db2.gz KVXFMARPAYUCLK-UHFFFAOYSA-N 0 0 452.403 4.842 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC001435500381 1064791862 /nfs/dbraw/zinc/79/18/62/1064791862.db2.gz AACDNPGMDCHXHZ-ZEQRLZLVSA-N 0 0 453.533 4.883 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360004875 1064791910 /nfs/dbraw/zinc/79/19/10/1064791910.db2.gz UFEOCIFOEUHBKN-HXUWFJFHSA-N 0 0 471.646 4.914 20 0 JJADRN CC(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360004869 1064791938 /nfs/dbraw/zinc/79/19/38/1064791938.db2.gz SXWOBHRKAQEDGL-HXUWFJFHSA-N 0 0 466.630 4.678 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(-n2cccn2)nc1 ZINC001435502174 1064792252 /nfs/dbraw/zinc/79/22/52/1064792252.db2.gz ILAQDNPRBRQYKN-NRFANRHFSA-N 0 0 451.299 4.688 20 0 JJADRN C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435502031 1064792290 /nfs/dbraw/zinc/79/22/90/1064792290.db2.gz DZKHFBTWNDOGIQ-SSOJOUAXSA-N 0 0 458.505 4.543 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(-n2cccn2)nc1 ZINC001435502177 1064792343 /nfs/dbraw/zinc/79/23/43/1064792343.db2.gz ILAQDNPRBRQYKN-OAQYLSRUSA-N 0 0 451.299 4.688 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N2CCCc3cc(Br)cc(Cl)c32)CC1 ZINC001360005636 1064792371 /nfs/dbraw/zinc/79/23/71/1064792371.db2.gz VZVULQZPLIPEMV-UHFFFAOYSA-N 0 0 457.796 4.886 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3ccccc3F)n2)cc1C ZINC001360005989 1064793025 /nfs/dbraw/zinc/79/30/25/1064793025.db2.gz ALHKFBSTBWZXHB-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN C[C@@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001435504787 1064793323 /nfs/dbraw/zinc/79/33/23/1064793323.db2.gz XHHJFXXDFRBZMU-CRAIPNDOSA-N 0 0 452.592 4.534 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2cc(Cl)cc(Cl)c2)cc1C ZINC001360006459 1064793508 /nfs/dbraw/zinc/79/35/08/1064793508.db2.gz GUOSAUFHKFXXES-IBGZPJMESA-N 0 0 453.391 4.919 20 0 JJADRN COc1ccc(N(C)C(=O)c2cccn2-c2cccc(I)c2)cc1F ZINC001435505946 1064794236 /nfs/dbraw/zinc/79/42/36/1064794236.db2.gz UHOOWHMJKYYZSI-UHFFFAOYSA-N 0 0 450.251 4.506 20 0 JJADRN COc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)ccc1OC1CCCC1 ZINC001360007378 1064794626 /nfs/dbraw/zinc/79/46/26/1064794626.db2.gz UGIOAGSCVHKIIL-NRFANRHFSA-N 0 0 454.592 4.787 20 0 JJADRN Cc1ccc(CNC(=O)CCc2cc(F)ccc2Br)c(OC[C@@H]2CCCO2)c1 ZINC001435506922 1064794806 /nfs/dbraw/zinc/79/48/06/1064794806.db2.gz AEJDVNROLVPKRH-IBGZPJMESA-N 0 0 450.348 4.703 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC001435508557 1064795717 /nfs/dbraw/zinc/79/57/17/1064795717.db2.gz QCBDGCTVQGKPCB-UHFFFAOYSA-N 0 0 452.473 4.900 20 0 JJADRN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1cc(I)ccc1Cl ZINC001435510224 1064796493 /nfs/dbraw/zinc/79/64/93/1064796493.db2.gz OOKKAKDYWJOXJJ-HNNXBMFYSA-N 0 0 455.679 4.616 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cnc(Br)c(Br)c1 ZINC001435510581 1064797249 /nfs/dbraw/zinc/79/72/49/1064797249.db2.gz XFVRJRMASJPKEN-UHFFFAOYSA-N 0 0 459.163 4.577 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC001435513071 1064798091 /nfs/dbraw/zinc/79/80/91/1064798091.db2.gz IYAJVZNWWKCNKK-UHFFFAOYSA-N 0 0 450.560 4.975 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435514207 1064798703 /nfs/dbraw/zinc/79/87/03/1064798703.db2.gz OVRKPFZBCBIVJQ-ZFWWWQNUSA-N 0 0 457.151 4.912 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC001435514916 1064799244 /nfs/dbraw/zinc/79/92/44/1064799244.db2.gz YONJBAYOXBACIJ-UHFFFAOYSA-N 0 0 458.061 4.979 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c(Cl)nc1Cl ZINC001435515663 1064799285 /nfs/dbraw/zinc/79/92/85/1064799285.db2.gz XACLFIVVZIKFPY-ZDUSSCGKSA-N 0 0 454.112 4.739 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001435515752 1064799834 /nfs/dbraw/zinc/79/98/34/1064799834.db2.gz DWVJRVMDQNZAAX-ZWKOTPCHSA-N 0 0 458.288 4.684 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1coc2c1ccc(F)c2F ZINC001435517432 1064800912 /nfs/dbraw/zinc/80/09/12/1064800912.db2.gz VEBNQIUXJDNCQQ-QGZVFWFLSA-N 0 0 456.272 4.851 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC001435517790 1064801005 /nfs/dbraw/zinc/80/10/05/1064801005.db2.gz BRTADANGBWYNHY-LLVKDONJSA-N 0 0 450.226 4.913 20 0 JJADRN CCOc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC001435519990 1064802492 /nfs/dbraw/zinc/80/24/92/1064802492.db2.gz PTRKOAODCFRNFY-UHFFFAOYSA-N 0 0 458.927 4.962 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001435519613 1064802529 /nfs/dbraw/zinc/80/25/29/1064802529.db2.gz PBZAWNUMFNOKHN-UHFFFAOYSA-N 0 0 459.255 4.804 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)nn1-c1ccc(Cl)cc1 ZINC001435519847 1064802666 /nfs/dbraw/zinc/80/26/66/1064802666.db2.gz GQZGNIQIJRYNPK-QHCPKHFHSA-N 0 0 451.954 4.661 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)N(C)Cc3cccc(OC(F)(F)F)c3)CCCC2)cc1 ZINC001435520577 1064803464 /nfs/dbraw/zinc/80/34/64/1064803464.db2.gz YFVBHAJAEJKTOF-UHFFFAOYSA-N 0 0 455.498 4.639 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)nn1-c1cccc(Cl)c1 ZINC001435521562 1064804269 /nfs/dbraw/zinc/80/42/69/1064804269.db2.gz VHPDLMUTTGHBOT-QHCPKHFHSA-N 0 0 451.954 4.661 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001435522855 1064805684 /nfs/dbraw/zinc/80/56/84/1064805684.db2.gz FGNYGFAIHDUJSM-NSHDSACASA-N 0 0 454.155 4.698 20 0 JJADRN COC(=O)COc1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)c2cccnc12 ZINC001435523667 1064806438 /nfs/dbraw/zinc/80/64/38/1064806438.db2.gz QKQQAUOTXAMVHB-UHFFFAOYSA-N 0 0 456.498 4.531 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001435524761 1064807034 /nfs/dbraw/zinc/80/70/34/1064807034.db2.gz YSIFVHADMZGWFE-UHFFFAOYSA-N 0 0 457.137 4.866 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001435525121 1064807135 /nfs/dbraw/zinc/80/71/35/1064807135.db2.gz SXYJIJHDPHOBNU-GOSISDBHSA-N 0 0 451.364 4.843 20 0 JJADRN C[C@H]1C(=O)Nc2cc(C(=O)N(Cc3ccccc3Br)C3CCCC3)ccc2N1C ZINC001435525419 1064807993 /nfs/dbraw/zinc/80/79/93/1064807993.db2.gz HJASOKKKFDJZCQ-HNNXBMFYSA-N 0 0 456.384 4.811 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](C)Cc3ccccc3Br)c(=O)oc2c1 ZINC001435525801 1064808078 /nfs/dbraw/zinc/80/80/78/1064808078.db2.gz YSTDIYDUTIBXAI-OAHLLOKOSA-N 0 0 457.368 4.763 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001360012202 1064808382 /nfs/dbraw/zinc/80/83/82/1064808382.db2.gz QHCVBMUYAWJKEU-YEJXKQKISA-N 0 0 455.386 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC001435526242 1064808764 /nfs/dbraw/zinc/80/87/64/1064808764.db2.gz PGZWPJWFCZLMPD-QRQLOZEOSA-N 0 0 456.612 4.780 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001435527001 1064808807 /nfs/dbraw/zinc/80/88/07/1064808807.db2.gz PTVURSKPRCFQRW-UXHICEINSA-N 0 0 455.942 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2nnc(-c3ccccc3)s2)CC[C@H]2CCCC[C@@H]21 ZINC001435526241 1064808875 /nfs/dbraw/zinc/80/88/75/1064808875.db2.gz PGZWPJWFCZLMPD-NEWSRXKRSA-N 0 0 456.612 4.780 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC001435527627 1064809518 /nfs/dbraw/zinc/80/95/18/1064809518.db2.gz VZPXAGYAQGLYEU-ZDUSSCGKSA-N 0 0 455.146 4.691 20 0 JJADRN COc1cc(OC)cc(OCCCNC(=O)c2cc(C)nc3ccc(Br)cc32)c1 ZINC001435527118 1064809738 /nfs/dbraw/zinc/80/97/38/1064809738.db2.gz RRNYLCWMWQVRSB-UHFFFAOYSA-N 0 0 459.340 4.522 20 0 JJADRN COc1ccc(-n2cc(C(=O)N(Cc3ccccc3Br)C3CCCC3)nn2)cc1 ZINC001435528656 1064809792 /nfs/dbraw/zinc/80/97/92/1064809792.db2.gz SUYMQVFTIITGDN-UHFFFAOYSA-N 0 0 455.356 4.623 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(Br)ccc1F ZINC001360012414 1064810257 /nfs/dbraw/zinc/81/02/57/1064810257.db2.gz QSDWZBNGZKVYIP-SPLOXXLWSA-N 0 0 457.384 4.721 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)c3c(Br)nnn3C)c2)cc1 ZINC001435529031 1064810466 /nfs/dbraw/zinc/81/04/66/1064810466.db2.gz PFYWXISKVIEKQT-HNNXBMFYSA-N 0 0 457.372 4.865 20 0 JJADRN CCc1nc(C(=O)NCc2ccccc2-n2ccc(C)n2)nn1-c1c(Cl)cccc1Cl ZINC001435529008 1064810580 /nfs/dbraw/zinc/81/05/80/1064810580.db2.gz OIOPSPZRJMODKY-UHFFFAOYSA-N 0 0 455.349 4.561 20 0 JJADRN 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NRUNXRFSBUARQC-UHFFFAOYSA-N 0 0 455.352 4.590 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)CCCO2)C1 ZINC001360056352 1064887172 /nfs/dbraw/zinc/88/71/72/1064887172.db2.gz BSIXHGYCQHJAQI-QRWLVFNGSA-N 0 0 469.449 4.590 20 0 JJADRN CC(C)c1noc(-c2ccc(NC(=O)C(C)(C)n3ccc(NC(=O)OC(C)(C)C)n3)cc2)n1 ZINC001360056515 1064887654 /nfs/dbraw/zinc/88/76/54/1064887654.db2.gz GJVCRBKMLFDACP-UHFFFAOYSA-N 0 0 454.531 4.777 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCCCC2)C1 ZINC001360056488 1064887681 /nfs/dbraw/zinc/88/76/81/1064887681.db2.gz CUYMRYSUYJCMSY-INIZCTEOSA-N 0 0 483.476 4.716 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001360056586 1064887743 /nfs/dbraw/zinc/88/77/43/1064887743.db2.gz CZQJHKZMZPOGHM-QFIPXVFZSA-N 0 0 479.591 4.861 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627276 1064888854 /nfs/dbraw/zinc/88/88/54/1064888854.db2.gz XPKPLPHZDVLUGW-KDYSTLNUSA-N 0 0 458.606 4.737 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F ZINC001360057055 1064889449 /nfs/dbraw/zinc/88/94/49/1064889449.db2.gz LHJYRDNNNVEKNB-UHFFFAOYSA-N 0 0 456.514 4.943 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccncc2)no1 ZINC001360056827 1064889508 /nfs/dbraw/zinc/88/95/08/1064889508.db2.gz JNKDSARTFXMLSG-HXUWFJFHSA-N 0 0 451.433 4.724 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001360056854 1064889589 /nfs/dbraw/zinc/88/95/89/1064889589.db2.gz KVFADFFPTQDXII-UHFFFAOYSA-N 0 0 454.502 4.928 20 0 JJADRN CCc1nc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435627702 1064889661 /nfs/dbraw/zinc/88/96/61/1064889661.db2.gz VBDQOVJKGFFYIG-UHFFFAOYSA-N 0 0 458.393 4.716 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)c3cc(Br)ccc3Br)CC2)c1 ZINC001435627924 1064889688 /nfs/dbraw/zinc/88/96/88/1064889688.db2.gz XICKHKFTMPQECP-UHFFFAOYSA-N 0 0 452.190 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(Cl)cc1OC ZINC001545892338 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GWVNRRSYFSYQFZ-SJORKVTESA-N 0 0 453.077 4.698 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CSCCS2)C1 ZINC001360059376 1064898289 /nfs/dbraw/zinc/89/82/89/1064898289.db2.gz GWVNRRSYFSYQFZ-IAGOWNOFSA-N 0 0 453.077 4.698 20 0 JJADRN COc1cc(I)ccc1C(=O)N(CC1CCCCC1)c1ccccn1 ZINC001435636512 1064898311 /nfs/dbraw/zinc/89/83/11/1064898311.db2.gz PASQATFXXVUSRS-UHFFFAOYSA-N 0 0 450.320 4.922 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)n2)cc1 ZINC001435637581 1064898955 /nfs/dbraw/zinc/89/89/55/1064898955.db2.gz XZFKDYYOQPBWIQ-UHFFFAOYSA-N 0 0 455.927 4.879 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)NCCOc1ccccc1Cl ZINC001435638729 1064899551 /nfs/dbraw/zinc/89/95/51/1064899551.db2.gz FCAOAORWWPTZHP-UHFFFAOYSA-N 0 0 457.739 4.853 20 0 JJADRN C[C@@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001360060949 1064899952 /nfs/dbraw/zinc/89/99/52/1064899952.db2.gz RWUAROGKQXVTOB-IIBYNOLFSA-N 0 0 453.336 4.713 20 0 JJADRN 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APWGKXSFCWSCGT-XMMPIXPASA-N 0 0 456.464 4.973 20 0 JJADRN CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001360077064 1064928939 /nfs/dbraw/zinc/92/89/39/1064928939.db2.gz YMJAVINAFCVKLN-UHFFFAOYSA-N 0 0 453.656 4.929 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(F)c(Br)c2)c1Cl ZINC001435677896 1064929093 /nfs/dbraw/zinc/92/90/93/1064929093.db2.gz CFPBWPMBSGFTGS-UHFFFAOYSA-N 0 0 456.116 4.908 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cccc(Br)n1 ZINC001435678013 1064929218 /nfs/dbraw/zinc/92/92/18/1064929218.db2.gz JRJIDMALTFZPBW-INIZCTEOSA-N 0 0 456.306 4.994 20 0 JJADRN CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[C@H]21 ZINC001360077103 1064929682 /nfs/dbraw/zinc/92/96/82/1064929682.db2.gz YXXAJGMEYTYHRB-NVXWUHKLSA-N 0 0 452.466 4.814 20 0 JJADRN CC(C)CSCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360077142 1064929695 /nfs/dbraw/zinc/92/96/95/1064929695.db2.gz KJPCJUBMGDXOLD-HDICACEKSA-N 0 0 454.644 4.856 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cccc(Br)n1 ZINC001435678016 1064929697 /nfs/dbraw/zinc/92/96/97/1064929697.db2.gz JRJIDMALTFZPBW-MRXNPFEDSA-N 0 0 456.306 4.994 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC001435679472 1064929852 /nfs/dbraw/zinc/92/98/52/1064929852.db2.gz IIOLFNRLMWISPK-GOSISDBHSA-N 0 0 457.621 4.792 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360077172 1064930135 /nfs/dbraw/zinc/93/01/35/1064930135.db2.gz KMOHZSIMXZIVDI-LEWJYISDSA-N 0 0 495.734 4.645 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001360077181 1064930174 /nfs/dbraw/zinc/93/01/74/1064930174.db2.gz KONGBMULNCWKMP-YPAWHYETSA-N 0 0 450.693 4.594 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)[C@@H]1CCc2c1cccc2Cl ZINC001435680169 1064930493 /nfs/dbraw/zinc/93/04/93/1064930493.db2.gz BOWXXWMPRKAPDE-UYAOXDASSA-N 0 0 450.888 4.696 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1Br 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ZINC001360081289 1064940788 /nfs/dbraw/zinc/94/07/88/1064940788.db2.gz ABRXALPRMNVBCQ-KPZWWZAWSA-N 0 0 457.349 4.532 20 0 JJADRN Cc1cc(F)c(NC(=O)c2cccc(F)c2Br)c(I)c1 ZINC001435694119 1064940908 /nfs/dbraw/zinc/94/09/08/1064940908.db2.gz QSVINFPNMYZBGB-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1nc2ccccc2cc1Br)C(=O)OCc1ccccc1 ZINC001435694949 1064941343 /nfs/dbraw/zinc/94/13/43/1064941343.db2.gz OGHNIHSQXREDFC-HXUWFJFHSA-N 0 0 455.352 4.885 20 0 JJADRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001435695644 1064942005 /nfs/dbraw/zinc/94/20/05/1064942005.db2.gz DQDSHXAPODZXBR-UHFFFAOYSA-N 0 0 459.921 4.753 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001360082630 1064942127 /nfs/dbraw/zinc/94/21/27/1064942127.db2.gz IFSNFTFXDTURGD-UHFFFAOYSA-N 0 0 460.003 4.748 20 0 JJADRN CC(C)CSCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001360082663 1064942282 /nfs/dbraw/zinc/94/22/82/1064942282.db2.gz JAMWMYDAVADJER-UHFFFAOYSA-N 0 0 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C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)cc1 ZINC001435698753 1064944692 /nfs/dbraw/zinc/94/46/92/1064944692.db2.gz FOASFALRCPQBKP-CVDCTZTESA-N 0 0 450.579 4.727 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)cc1 ZINC001435698752 1064944709 /nfs/dbraw/zinc/94/47/09/1064944709.db2.gz FOASFALRCPQBKP-AUSIDOKSSA-N 0 0 450.579 4.727 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001360083230 1064944563 /nfs/dbraw/zinc/94/45/63/1064944563.db2.gz ARPWUVARBJJOHB-MOPGFXCFSA-N 0 0 468.671 4.596 20 0 JJADRN COc1ccc(CN(C(=O)CCCNC(=O)c2ccsc2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001435699026 1064945082 /nfs/dbraw/zinc/94/50/82/1064945082.db2.gz HHWYGFGYQMGGTF-NQIIRXRSSA-N 0 0 458.624 4.883 20 0 JJADRN CO[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1Br ZINC001435698784 1064945098 /nfs/dbraw/zinc/94/50/98/1064945098.db2.gz GEWXHRYIDHKMTM-XIKOKIGWSA-N 0 0 458.183 4.839 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001435698766 1064945122 /nfs/dbraw/zinc/94/51/22/1064945122.db2.gz FXSNDFMSTQMKPJ-GFCCVEGCSA-N 0 0 458.176 4.886 20 0 JJADRN COc1ccc(CN(C(=O)CCCNC(=O)c2ccsc2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001435699028 1064945274 /nfs/dbraw/zinc/94/52/74/1064945274.db2.gz HHWYGFGYQMGGTF-RXVVDRJESA-N 0 0 458.624 4.883 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCSC[C@H]1C ZINC001360083586 1064945272 /nfs/dbraw/zinc/94/52/72/1064945272.db2.gz LMCLSNYMTQRQPB-GOSISDBHSA-N 0 0 486.711 4.567 20 0 JJADRN Cc1cc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)nn1-c1cccc(F)c1 ZINC001435699674 1064945750 /nfs/dbraw/zinc/94/57/50/1064945750.db2.gz PEEJKGUAYHAAMV-UHFFFAOYSA-N 0 0 455.555 4.662 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001360083875 1064945766 /nfs/dbraw/zinc/94/57/66/1064945766.db2.gz AJRAAONIKWDTOH-DDJMYBDESA-N 0 0 459.736 4.868 20 0 JJADRN CC(C)CSCCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001360083700 1064945776 /nfs/dbraw/zinc/94/57/76/1064945776.db2.gz PKXZPDNDUKVWQF-UHFFFAOYSA-N 0 0 467.462 4.585 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001360083858 1064945785 /nfs/dbraw/zinc/94/57/85/1064945785.db2.gz UJFYYTZPRCRHHU-FQEVSTJZSA-N 0 0 477.581 4.842 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1Cl ZINC001435700110 1064946265 /nfs/dbraw/zinc/94/62/65/1064946265.db2.gz QKXQVIPBTMGVSX-UHFFFAOYSA-N 0 0 456.326 4.673 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001435700829 1064946295 /nfs/dbraw/zinc/94/62/95/1064946295.db2.gz VJQFCKCEHLAMTB-GXTWGEPZSA-N 0 0 458.183 4.918 20 0 JJADRN Cc1ccc(C(N)=O)cc1OC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360084844 1064946534 /nfs/dbraw/zinc/94/65/34/1064946534.db2.gz KQOAWCXLSSABMJ-UHFFFAOYSA-N 0 0 452.551 4.503 20 0 JJADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001360084359 1064946753 /nfs/dbraw/zinc/94/67/53/1064946753.db2.gz LOQSLLSFMDMUNU-OAQYLSRUSA-N 0 0 452.414 4.859 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001360085634 1064948022 /nfs/dbraw/zinc/94/80/22/1064948022.db2.gz FYCMANCXXQCNBM-OAQYLSRUSA-N 0 0 478.106 4.537 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360085789 1064948223 /nfs/dbraw/zinc/94/82/23/1064948223.db2.gz IXJQAHRVYJHOCK-RTWAWAEBSA-N 0 0 495.734 4.645 20 0 JJADRN CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001435704262 1064948129 /nfs/dbraw/zinc/94/81/29/1064948129.db2.gz MPVBZUHTPKIFBJ-SFHVURJKSA-N 0 0 458.183 4.764 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)[C@@H]3CCc4nnn(C)c4C3)oc21 ZINC001435705350 1064948620 /nfs/dbraw/zinc/94/86/20/1064948620.db2.gz CSIITYPDRFRKPY-JLTOFOAXSA-N 0 0 459.388 4.593 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)nn1-c1ccc(Cl)cc1Cl ZINC001435705641 1064948638 /nfs/dbraw/zinc/94/86/38/1064948638.db2.gz YLZDDKGCTZQXKE-HXUWFJFHSA-N 0 0 457.361 4.660 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001360085858 1064948682 /nfs/dbraw/zinc/94/86/82/1064948682.db2.gz KPAJLNGBMCWHQR-FQEVSTJZSA-N 0 0 456.635 4.515 20 0 JJADRN CC(C)CSCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360085917 1064948898 /nfs/dbraw/zinc/94/88/98/1064948898.db2.gz MAJOYCHMZBUXEC-UHFFFAOYSA-N 0 0 453.697 4.749 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)[C@@H]3CCc4nncn4CC3)oc21 ZINC001435706352 1064949074 /nfs/dbraw/zinc/94/90/74/1064949074.db2.gz GSIBCDFXUZXLSL-FOIQADDNSA-N 0 0 459.388 4.903 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCC3(Cc4ccc(F)cc4)CC3)[nH]c(=O)c2c1C ZINC001435706367 1064949146 /nfs/dbraw/zinc/94/91/46/1064949146.db2.gz PZNGIRFTVSZUPS-OAHLLOKOSA-N 0 0 459.612 4.914 20 0 JJADRN CC(C)CSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360086053 1064949339 /nfs/dbraw/zinc/94/93/39/1064949339.db2.gz ORVFSXVHHPNHQT-NRFANRHFSA-N 0 0 475.678 4.528 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1C1CC1 ZINC001435709524 1064950248 /nfs/dbraw/zinc/95/02/48/1064950248.db2.gz CPJFAYMBBAWEIM-CRAIPNDOSA-N 0 0 453.587 4.761 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001360086454 1064950319 /nfs/dbraw/zinc/95/03/19/1064950319.db2.gz ZCQZUFMNMOUCCC-NHCUHLMSSA-N 0 0 466.598 4.765 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001360086453 1064950457 /nfs/dbraw/zinc/95/04/57/1064950457.db2.gz ZCQZUFMNMOUCCC-LEWJYISDSA-N 0 0 466.598 4.765 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001360086433 1064950607 /nfs/dbraw/zinc/95/06/07/1064950607.db2.gz YHVYPXICXYFUTA-SLFFLAALSA-N 0 0 465.708 4.874 20 0 JJADRN C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001435710313 1064950747 /nfs/dbraw/zinc/95/07/47/1064950747.db2.gz HLIVLZZSMKIKTG-LBPRGKRZSA-N 0 0 451.773 4.870 20 0 JJADRN COc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c(OC(C)C)c1 ZINC001435710871 1064950884 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4.839 20 0 JJADRN CC(C)CSCCn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001360087206 1064951371 /nfs/dbraw/zinc/95/13/71/1064951371.db2.gz OOMDBXKBUUKNAY-UHFFFAOYSA-N 0 0 497.734 4.867 20 0 JJADRN Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c2ccc(F)cc2n1 ZINC001435713736 1064951946 /nfs/dbraw/zinc/95/19/46/1064951946.db2.gz ICXYNXTVKNHVIY-KRWDZBQOSA-N 0 0 450.514 4.712 20 0 JJADRN Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c2ccc(F)cc2n1 ZINC001435713738 1064952006 /nfs/dbraw/zinc/95/20/06/1064952006.db2.gz ICXYNXTVKNHVIY-QGZVFWFLSA-N 0 0 450.514 4.712 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360087277 1064951907 /nfs/dbraw/zinc/95/19/07/1064951907.db2.gz PRAGORBKBLMJBC-JOCHJYFZSA-N 0 0 473.593 4.509 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001360087279 1064952054 /nfs/dbraw/zinc/95/20/54/1064952054.db2.gz PRAGORBKBLMJBC-QFIPXVFZSA-N 0 0 473.593 4.509 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H]1c1cccc(C)c1 ZINC001360087588 1064952542 /nfs/dbraw/zinc/95/25/42/1064952542.db2.gz NILQPTVIMXAOLN-UKILVPOCSA-N 0 0 452.620 4.955 20 0 JJADRN CC(C)CSCCn1c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001360087511 1064952606 /nfs/dbraw/zinc/95/26/06/1064952606.db2.gz UEZFJJLSVGVFBX-QGZVFWFLSA-N 0 0 452.690 4.566 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cnc(-c2ccccc2Cl)s1 ZINC001435716582 1064953106 /nfs/dbraw/zinc/95/31/06/1064953106.db2.gz ZJYNPTUWFIUZBZ-MRXNPFEDSA-N 0 0 450.322 4.791 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)[C@@H]1c1ccc(OC)cc1 ZINC001435718246 1064953309 /nfs/dbraw/zinc/95/33/09/1064953309.db2.gz GWEYTRTXOGCWJH-JARJBNJMSA-N 0 0 458.643 4.875 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001435718074 1064953387 /nfs/dbraw/zinc/95/33/87/1064953387.db2.gz DDKJSUCRMRGWHK-MRXNPFEDSA-N 0 0 452.457 4.691 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC001435717581 1064953569 /nfs/dbraw/zinc/95/35/69/1064953569.db2.gz LBTKFDDRKNVZSX-GOSISDBHSA-N 0 0 453.410 4.794 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c(F)c1 ZINC001360088406 1064953710 /nfs/dbraw/zinc/95/37/10/1064953710.db2.gz MBQGZPSYZHTFCN-UHFFFAOYSA-N 0 0 458.375 4.568 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)nn1-c1ccccc1Cl ZINC001435719318 1064954047 /nfs/dbraw/zinc/95/40/47/1064954047.db2.gz UFQPRXKDIJWJFZ-NRFANRHFSA-N 0 0 452.942 4.964 20 0 JJADRN O=C(NC[C@H]1CCc2ccccc2C1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001435720196 1064954530 /nfs/dbraw/zinc/95/45/30/1064954530.db2.gz CMZLAQYUQRUBMI-HNNXBMFYSA-N 0 0 451.920 4.892 20 0 JJADRN Cc1cc(NC(=O)Cc2cc[nH]c(=O)c2Br)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435720237 1064954595 /nfs/dbraw/zinc/95/45/95/1064954595.db2.gz CRIHXZSKUFFUCC-UHFFFAOYSA-N 0 0 456.127 4.532 20 0 JJADRN CCOC(=O)c1c(F)cccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC001435721919 1064955108 /nfs/dbraw/zinc/95/51/08/1064955108.db2.gz YTEPVBPVXMZDSK-UHFFFAOYSA-N 0 0 451.479 4.936 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCO2)CC1 ZINC001360089362 1064955882 /nfs/dbraw/zinc/95/58/82/1064955882.db2.gz QECPUHHNEMAVLU-GOSISDBHSA-N 0 0 480.440 4.514 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001435724117 1064956137 /nfs/dbraw/zinc/95/61/37/1064956137.db2.gz HTXIUHNTKNTDBR-JBACZVJFSA-N 0 0 453.549 4.878 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001435724119 1064956256 /nfs/dbraw/zinc/95/62/56/1064956256.db2.gz HTXIUHNTKNTDBR-SESVDKBCSA-N 0 0 453.549 4.878 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360089474 1064956326 /nfs/dbraw/zinc/95/63/26/1064956326.db2.gz FRGLDQWURWFYPM-UHFFFAOYSA-N 0 0 492.590 4.675 20 0 JJADRN CN(C(=O)c1cc(C(=O)OC(C)(C)C)nn1C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435726226 1064958367 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IGEBHSKDFALOFD-UHFFFAOYSA-N 0 0 491.602 4.754 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccoc2)CC1 ZINC001360092085 1064959712 /nfs/dbraw/zinc/95/97/12/1064959712.db2.gz RJWWYHHXMKNULZ-UHFFFAOYSA-N 0 0 493.652 4.879 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360092074 1064959797 /nfs/dbraw/zinc/95/97/97/1064959797.db2.gz QRXRAJTZHHQZFX-UHFFFAOYSA-N 0 0 487.639 4.972 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001435729336 1064960811 /nfs/dbraw/zinc/96/08/11/1064960811.db2.gz PCVZPOGWVDJHHX-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC001435729457 1064960901 /nfs/dbraw/zinc/96/09/01/1064960901.db2.gz BYHVNGXSNLOUGZ-YJBOKZPZSA-N 0 0 451.585 4.520 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC001435730068 1064961285 /nfs/dbraw/zinc/96/12/85/1064961285.db2.gz SHACDRKABDRAHZ-IBGZPJMESA-N 0 0 457.372 4.520 20 0 JJADRN O=C(c1cccc2c1NC(=O)CO2)N(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001435731165 1064961888 /nfs/dbraw/zinc/96/18/88/1064961888.db2.gz KIJLYLZWWDMWCJ-UHFFFAOYSA-N 0 0 451.320 4.623 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c(Br)c1 ZINC001435733188 1064963079 /nfs/dbraw/zinc/96/30/79/1064963079.db2.gz WZWZALJXQCCYKV-HNNXBMFYSA-N 0 0 454.368 4.932 20 0 JJADRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(CN2CCCCC2=O)cc1 ZINC001435732905 1064963158 /nfs/dbraw/zinc/96/31/58/1064963158.db2.gz OTFIQIJLQQRHPQ-LJQANCHMSA-N 0 0 456.411 4.834 20 0 JJADRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cncc(Cl)c1Cl ZINC001435732612 1064963170 /nfs/dbraw/zinc/96/31/70/1064963170.db2.gz YIAWEVXUSLQLKH-UHFFFAOYSA-N 0 0 457.346 4.762 20 0 JJADRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001435733731 1064963754 /nfs/dbraw/zinc/96/37/54/1064963754.db2.gz USCJCYDMXOAWLT-INIZCTEOSA-N 0 0 452.383 4.780 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C1CC1 ZINC001435734103 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ZINC001435818112 1065008222 /nfs/dbraw/zinc/00/82/22/1065008222.db2.gz NSDZMSLSKGCXLW-QGZVFWFLSA-N 0 0 459.493 4.668 20 0 JJADRN COc1ccc(OC(=O)c2cc3ccc(Br)cc3c(=O)o2)c(Br)c1 ZINC001435820122 1065008534 /nfs/dbraw/zinc/00/85/34/1065008534.db2.gz FCQPEVKKRWOFOG-UHFFFAOYSA-N 0 0 454.070 4.546 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCC[C@H]1C ZINC001360120842 1065008711 /nfs/dbraw/zinc/00/87/11/1065008711.db2.gz GMHKHFMNNIZCLX-RDTXWAMCSA-N 0 0 464.433 4.937 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccco1 ZINC001360120782 1065008834 /nfs/dbraw/zinc/00/88/34/1065008834.db2.gz FHXAKWUMRGVUQZ-DZRGJMJISA-N 0 0 456.587 4.705 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2ccsc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360121035 1065008912 /nfs/dbraw/zinc/00/89/12/1065008912.db2.gz IZHBGXFURZJEDW-UHFFFAOYSA-N 0 0 471.627 4.805 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1CC1=CCCOC1 ZINC001360121084 1065009243 /nfs/dbraw/zinc/00/92/43/1065009243.db2.gz 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ZINC001435828179 1065012119 /nfs/dbraw/zinc/01/21/19/1065012119.db2.gz RIFWZYFRRCDXGM-LJQANCHMSA-N 0 0 456.539 4.790 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Br ZINC001360122796 1065012285 /nfs/dbraw/zinc/01/22/85/1065012285.db2.gz RVDCCOSDDDXAFM-UHFFFAOYSA-N 0 0 471.428 4.966 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001360123055 1065013219 /nfs/dbraw/zinc/01/32/19/1065013219.db2.gz WABHZUGDSXZTMJ-UHFFFAOYSA-N 0 0 462.623 4.694 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 ZINC001435829561 1065013396 /nfs/dbraw/zinc/01/33/96/1065013396.db2.gz BIORGGBQHIADBL-SLFFLAALSA-N 0 0 454.636 4.723 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccc2c(c1)CCCC2 ZINC001435829422 1065013560 /nfs/dbraw/zinc/01/35/60/1065013560.db2.gz FPGLBAPVKPKPJK-AQNXPRMDSA-N 0 0 454.636 4.723 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H]1CCOc2ccc(OC)cc21 ZINC001435830053 1065013822 /nfs/dbraw/zinc/01/38/22/1065013822.db2.gz FCUKVWATPXTGIG-QGZVFWFLSA-N 0 0 457.324 4.929 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001435831290 1065014393 /nfs/dbraw/zinc/01/43/93/1065014393.db2.gz LMANKRVZNSYBEU-VQTJNVASSA-N 0 0 454.636 4.928 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1CCc1cn[nH]c1 ZINC001360124017 1065015734 /nfs/dbraw/zinc/01/57/34/1065015734.db2.gz SVNWDPQKWYNGII-UHFFFAOYSA-N 0 0 457.003 4.953 20 0 JJADRN O=C(Oc1ccc(I)c(Br)c1)C1(Oc2ccccc2)CC1 ZINC001435835439 1065016149 /nfs/dbraw/zinc/01/61/49/1065016149.db2.gz GETKZCZETRGKCZ-UHFFFAOYSA-N 0 0 459.077 4.571 20 0 JJADRN COC1(C(=O)Oc2ccc(I)c(Br)c2)CCCCCC1 ZINC001435838610 1065017328 /nfs/dbraw/zinc/01/73/28/1065017328.db2.gz KTGDWMMCRHCJQS-UHFFFAOYSA-N 0 0 453.114 4.699 20 0 JJADRN CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)CCO2 ZINC001435839299 1065017394 /nfs/dbraw/zinc/01/73/94/1065017394.db2.gz YBXMMZDRFKWUAW-LSBJFZBKSA-N 0 0 452.982 4.937 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001435840233 1065018235 /nfs/dbraw/zinc/01/82/35/1065018235.db2.gz FQTFQGJLLNUIQW-TZIWHRDSSA-N 0 0 458.331 4.766 20 0 JJADRN Cn1c2ccccc2n(CCC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)c1=O ZINC001435840286 1065018259 /nfs/dbraw/zinc/01/82/59/1065018259.db2.gz FCGVABQGPVVKOP-HNNXBMFYSA-N 0 0 459.390 4.559 20 0 JJADRN COC(=O)c1sc(NC(=O)c2c(F)ccc(Br)c2OC)nc1C1CCCC1 ZINC001435840291 1065018428 /nfs/dbraw/zinc/01/84/28/1065018428.db2.gz FJLHSBFFXVMGAN-UHFFFAOYSA-N 0 0 457.321 4.750 20 0 JJADRN COC(=O)c1sc(NC(=O)CCCCNC(=O)OCc2ccccc2)nc1C1CCCC1 ZINC001435841352 1065018859 /nfs/dbraw/zinc/01/88/59/1065018859.db2.gz LXAYAYRQPKEONX-UHFFFAOYSA-N 0 0 459.568 4.623 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)Nc3cccc(C(F)F)c3Cl)nn2)CC1 ZINC001435842223 1065019536 /nfs/dbraw/zinc/01/95/36/1065019536.db2.gz UVTWBMTYHGPHAG-UHFFFAOYSA-N 0 0 455.893 4.693 20 0 JJADRN O=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001435843294 1065020087 /nfs/dbraw/zinc/02/00/87/1065020087.db2.gz MOLKWZCVFBAPRG-UHFFFAOYSA-N 0 0 453.123 4.664 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)NC3(Cc4ccccc4)CCCC3)cc2)c1 ZINC001435844770 1065020354 /nfs/dbraw/zinc/02/03/54/1065020354.db2.gz LCJOWZUUZOQGGT-UHFFFAOYSA-N 0 0 458.558 4.998 20 0 JJADRN Cn1nc(CNC(=O)c2ccccc2OCc2ccccc2Br)c2ccccc21 ZINC001435844651 1065020379 /nfs/dbraw/zinc/02/03/79/1065020379.db2.gz GCLVFSCADPSHHW-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)cc2C1 ZINC001360126758 1065020693 /nfs/dbraw/zinc/02/06/93/1065020693.db2.gz FORWDGLGCLSFBZ-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN O=C(NCc1ccc2c(c1)C(=O)NCC2)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001435845597 1065020783 /nfs/dbraw/zinc/02/07/83/1065020783.db2.gz KUQROMJTWIFIAU-QFIPXVFZSA-N 0 0 455.341 4.716 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(c3ccccc3C)CC2)c1 ZINC001435846312 1065020830 /nfs/dbraw/zinc/02/08/30/1065020830.db2.gz MIUCNENDAONVGS-UHFFFAOYSA-N 0 0 450.398 4.571 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)C3CCCCCC3)cc2OC)cc1 ZINC001435845661 1065020971 /nfs/dbraw/zinc/02/09/71/1065020971.db2.gz CPQBFPRQFUQUKW-SFHVURJKSA-N 0 0 454.567 4.810 20 0 JJADRN Cc1cc(CCCC(=O)NCCC(=O)N(C)Cc2ccccc2Br)c(C)s1 ZINC001360127077 1065021108 /nfs/dbraw/zinc/02/11/08/1065021108.db2.gz MOZMDWGAUGEILU-UHFFFAOYSA-N 0 0 451.430 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545893715 1065021335 /nfs/dbraw/zinc/02/13/35/1065021335.db2.gz GHZNFIOIBWNYFL-FQEVSTJZSA-N 0 0 459.610 4.820 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c12 ZINC001360127309 1065021267 /nfs/dbraw/zinc/02/12/67/1065021267.db2.gz RBAYMFULJVSXOV-UHFFFAOYSA-N 0 0 456.390 4.901 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001435848223 1065021404 /nfs/dbraw/zinc/02/14/04/1065021404.db2.gz FQZMWDCKYHHLNO-UHFFFAOYSA-N 0 0 452.403 4.923 20 0 JJADRN O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001360127616 1065021744 /nfs/dbraw/zinc/02/17/44/1065021744.db2.gz XALAWIWVRPRCGB-HNNXBMFYSA-N 0 0 458.811 4.612 20 0 JJADRN Cc1cc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc(C)c1Br ZINC001435849129 1065021898 /nfs/dbraw/zinc/02/18/98/1065021898.db2.gz DHTVDWSFYGJYGQ-UHFFFAOYSA-N 0 0 452.393 4.827 20 0 JJADRN C/C=C\COc1cccc(CC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC001435850058 1065022426 /nfs/dbraw/zinc/02/24/26/1065022426.db2.gz KZCLDUIJYRHHJE-MCQQSULPSA-N 0 0 459.590 4.646 20 0 JJADRN C/C=C\COc1cccc(CC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC001435850063 1065022438 /nfs/dbraw/zinc/02/24/38/1065022438.db2.gz KZCLDUIJYRHHJE-WQQMTTTLSA-N 0 0 459.590 4.646 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cnc(Br)c(Br)c1)[C@H]2C ZINC001435852551 1065024654 /nfs/dbraw/zinc/02/46/54/1065024654.db2.gz GOPKKYQHFGBQFL-QWRGUYRKSA-N 0 0 454.162 4.763 20 0 JJADRN CC(=O)N[C@@H](CC(=O)OCc1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1F ZINC001435852796 1065024696 /nfs/dbraw/zinc/02/46/96/1065024696.db2.gz QZMOHYAIJBKRKP-INIZCTEOSA-N 0 0 452.429 4.677 20 0 JJADRN CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)c(F)c2)CCC3)[nH]c1C ZINC001435853610 1065025131 /nfs/dbraw/zinc/02/51/31/1065025131.db2.gz WOXOSIFXWOUURZ-UHFFFAOYSA-N 0 0 454.523 4.981 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(Br)nc(Br)c1)[C@@H]2C ZINC001435853085 1065025237 /nfs/dbraw/zinc/02/52/37/1065025237.db2.gz HXZZFUIBKDOTRL-GHMZBOCLSA-N 0 0 454.162 4.763 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(Br)nc(Br)c1)[C@H]2C ZINC001435853086 1065025251 /nfs/dbraw/zinc/02/52/51/1065025251.db2.gz HXZZFUIBKDOTRL-MNOVXSKESA-N 0 0 454.162 4.763 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)c(C)c3)c2C(=O)c2ccc(C)cc2)C1 ZINC001435854142 1065025481 /nfs/dbraw/zinc/02/54/81/1065025481.db2.gz DMXNTENIJDMMJX-UHFFFAOYSA-N 0 0 450.535 4.892 20 0 JJADRN COc1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1-c1ccccn1 ZINC001360130422 1065025717 /nfs/dbraw/zinc/02/57/17/1065025717.db2.gz BDZXPROHSOIJGD-JOCHJYFZSA-N 0 0 453.583 4.961 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC001435854421 1065026043 /nfs/dbraw/zinc/02/60/43/1065026043.db2.gz GIAKDABNNDELFX-UHFFFAOYSA-N 0 0 454.748 4.755 20 0 JJADRN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Br)cc1Br ZINC001360130593 1065026144 /nfs/dbraw/zinc/02/61/44/1065026144.db2.gz CFDMCMHHWGDYCU-AWEZNQCLSA-N 0 0 456.153 4.750 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccc(C(F)(F)F)nc2)CN(C)CC3)cc1 ZINC001435855301 1065026489 /nfs/dbraw/zinc/02/64/89/1065026489.db2.gz KVEHGEJWTSDWTG-UHFFFAOYSA-N 0 0 459.493 4.942 20 0 JJADRN O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001435855352 1065026501 /nfs/dbraw/zinc/02/65/01/1065026501.db2.gz NARFTALCOKHVTB-NRFANRHFSA-N 0 0 450.407 4.988 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCCCC(=O)OCc2ccccc2)cc1 ZINC001435855514 1065026640 /nfs/dbraw/zinc/02/66/40/1065026640.db2.gz PFVWDLOSKLQKHS-LJQANCHMSA-N 0 0 454.567 4.916 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001435857021 1065028289 /nfs/dbraw/zinc/02/82/89/1065028289.db2.gz AJWFYDLKCONWGJ-UHFFFAOYSA-N 0 0 457.361 4.843 20 0 JJADRN NC(=O)c1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)nn1-c1ccccc1 ZINC001360133371 1065028884 /nfs/dbraw/zinc/02/88/84/1065028884.db2.gz ZCLLKTUVDWHXQT-UHFFFAOYSA-N 0 0 456.468 4.575 20 0 JJADRN Cc1ccc(COC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001435859788 1065029155 /nfs/dbraw/zinc/02/91/55/1065029155.db2.gz XJBKWFPYDRIHGA-UHFFFAOYSA-N 0 0 456.608 4.517 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NCCc3ccc(Br)cc3)c2c1C ZINC001360133897 1065029571 /nfs/dbraw/zinc/02/95/71/1065029571.db2.gz FXUMZLPCUSBRBN-UHFFFAOYSA-N 0 0 450.427 4.830 20 0 JJADRN COC(=O)C1(CNC(=O)CCc2cc(C(F)(F)F)ccc2Br)CCCCC1 ZINC001435860666 1065029630 /nfs/dbraw/zinc/02/96/30/1065029630.db2.gz XXLLICSVAYMBFQ-UHFFFAOYSA-N 0 0 450.295 4.640 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001435860771 1065029700 /nfs/dbraw/zinc/02/97/00/1065029700.db2.gz ZUBNAGDVBSGMJN-UHFFFAOYSA-N 0 0 458.543 4.842 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)nnn1-c1ccccc1Br ZINC001435860517 1065029730 /nfs/dbraw/zinc/02/97/30/1065029730.db2.gz XUCQUAMBIMBTPH-UHFFFAOYSA-N 0 0 451.271 4.656 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1 ZINC001360134682 1065030559 /nfs/dbraw/zinc/03/05/59/1065030559.db2.gz PGBGRHGBSSDHLW-IBGZPJMESA-N 0 0 452.576 4.903 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001435863169 1065030590 /nfs/dbraw/zinc/03/05/90/1065030590.db2.gz KVZZIBJIXLTYMV-INIZCTEOSA-N 0 0 453.404 4.705 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC1 ZINC001360134718 1065030991 /nfs/dbraw/zinc/03/09/91/1065030991.db2.gz PPNJLHQBDYDXRA-SANMLTNESA-N 0 0 454.636 4.760 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435863441 1065031109 /nfs/dbraw/zinc/03/11/09/1065031109.db2.gz OJPRBECDZPIFOZ-GOSISDBHSA-N 0 0 457.398 4.616 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC1Cc2ccccc2C1 ZINC001545893806 1065031634 /nfs/dbraw/zinc/03/16/34/1065031634.db2.gz IPMQPYBQPFNZDR-HXUWFJFHSA-N 0 0 477.575 4.780 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C1CC1 ZINC001360135378 1065031612 /nfs/dbraw/zinc/03/16/12/1065031612.db2.gz YPNSWSRTEREKDH-VWLOTQADSA-N 0 0 454.636 4.787 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC001360135627 1065031963 /nfs/dbraw/zinc/03/19/63/1065031963.db2.gz SLKLQNJVXZCSAD-UHFFFAOYSA-N 0 0 458.558 4.721 20 0 JJADRN Cc1c(I)cccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC001435865090 1065032207 /nfs/dbraw/zinc/03/22/07/1065032207.db2.gz CJPFZNLGLUTYNT-UHFFFAOYSA-N 0 0 459.736 4.808 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(I)c1C ZINC001435865016 1065032607 /nfs/dbraw/zinc/03/26/07/1065032607.db2.gz BGPSOYXQVZAFEC-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cn1cnc(-c2cccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)c2)n1 ZINC001435864894 1065032736 /nfs/dbraw/zinc/03/27/36/1065032736.db2.gz SKTVEPQELIIOKR-RTWAWAEBSA-N 0 0 481.984 4.725 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435865690 1065033005 /nfs/dbraw/zinc/03/30/05/1065033005.db2.gz JZRLOSZIFVQLNY-UHFFFAOYSA-N 0 0 456.337 4.974 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC001360137918 1065033487 /nfs/dbraw/zinc/03/34/87/1065033487.db2.gz CSVWQGJPRWEJTR-UHFFFAOYSA-N 0 0 451.169 4.744 20 0 JJADRN COc1cccc(C(=O)c2c3c(sc2NC(=O)c2ncccc2Br)CCC3)c1 ZINC001435867040 1065033959 /nfs/dbraw/zinc/03/39/59/1065033959.db2.gz JJBPLPWJEKANTB-UHFFFAOYSA-N 0 0 457.349 4.886 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867329 1065034336 /nfs/dbraw/zinc/03/43/36/1065034336.db2.gz GCAMPEXVKXPUIC-CYBMUJFWSA-N 0 0 452.274 4.984 20 0 JJADRN O=C(c1nc(NCc2ccco2)ncc1Cl)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867352 1065034373 /nfs/dbraw/zinc/03/43/73/1065034373.db2.gz GIVJXWJGQQYLSQ-CQSZACIVSA-N 0 0 450.848 4.984 20 0 JJADRN O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867270 1065034402 /nfs/dbraw/zinc/03/44/02/1065034402.db2.gz FCSQVKALVSLUCU-CQSZACIVSA-N 0 0 451.388 4.629 20 0 JJADRN Cn1c(SCC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)nnc1-c1cccs1 ZINC001435867303 1065034487 /nfs/dbraw/zinc/03/44/87/1065034487.db2.gz FXRXUAAPRKKMCN-CQSZACIVSA-N 0 0 452.527 4.671 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC001435867844 1065034734 /nfs/dbraw/zinc/03/47/34/1065034734.db2.gz IELAYIANUJRPKY-AWEZNQCLSA-N 0 0 455.502 4.816 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)sc1Br ZINC001435867670 1065034765 /nfs/dbraw/zinc/03/47/65/1065034765.db2.gz AFXSWPNHQHCFFV-UHFFFAOYSA-N 0 0 455.374 4.975 20 0 JJADRN Cc1c(Br)cnn1CC(=O)OCc1cc(Cl)c(Br)c(Cl)c1 ZINC001435868011 1065034873 /nfs/dbraw/zinc/03/48/73/1065034873.db2.gz ILHDIUWGZARQAW-UHFFFAOYSA-N 0 0 456.949 4.767 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)CC1(Cn3cnnn3)CCCCC1)CCCC2 ZINC001435868989 1065035165 /nfs/dbraw/zinc/03/51/65/1065035165.db2.gz NUTVEVLLRBIQJX-UHFFFAOYSA-N 0 0 459.616 4.548 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435870848 1065036265 /nfs/dbraw/zinc/03/62/65/1065036265.db2.gz SCHUXXFKABSUAU-XJTUCQONSA-N 0 0 451.611 4.875 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC001435872585 1065037292 /nfs/dbraw/zinc/03/72/92/1065037292.db2.gz RYJOZUNUPAGFNB-UHFFFAOYSA-N 0 0 456.930 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cc3c(cc2Cl)CCC3=O)(c2ccccc2)C1 ZINC001435874847 1065038370 /nfs/dbraw/zinc/03/83/70/1065038370.db2.gz DBNFBUSUTFKCRI-RUZDIDTESA-N 0 0 454.954 4.986 20 0 JJADRN CCn1cc(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cn1 ZINC001435876942 1065039534 /nfs/dbraw/zinc/03/95/34/1065039534.db2.gz IKZIUKLQKVYKQA-UHFFFAOYSA-N 0 0 451.324 4.666 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(OCc4ccccc4)ccn3)c2)n1 ZINC001435879302 1065040372 /nfs/dbraw/zinc/04/03/72/1065040372.db2.gz IQAXDPNXWVFBSP-UHFFFAOYSA-N 0 0 459.527 4.501 20 0 JJADRN CCSc1ccccc1CC(=O)N(CCC(=O)OC)Cc1cccc(Br)c1 ZINC001435879562 1065040626 /nfs/dbraw/zinc/04/06/26/1065040626.db2.gz LMKYOPQVISCVQS-UHFFFAOYSA-N 0 0 450.398 4.696 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C2CC2)nn1CC)C1CC1 ZINC001435880776 1065041334 /nfs/dbraw/zinc/04/13/34/1065041334.db2.gz DAOMZZTXOKVXRI-HXUWFJFHSA-N 0 0 450.366 4.996 20 0 JJADRN COc1cc(NC(=O)c2ccn(-c3ccccc3)n2)c(Br)cc1Br ZINC001435881380 1065041763 /nfs/dbraw/zinc/04/17/63/1065041763.db2.gz UCEOWYQRGLETJU-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)C1CC1 ZINC001435881830 1065042482 /nfs/dbraw/zinc/04/24/82/1065042482.db2.gz MMYZBKOEWPCJTK-LPMFXHHGSA-N 0 0 456.366 4.568 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)COc1cc(F)cc(F)c1)C1CC1 ZINC001435883206 1065042890 /nfs/dbraw/zinc/04/28/90/1065042890.db2.gz UWJFNZJWQYRICY-FQEVSTJZSA-N 0 0 458.288 4.946 20 0 JJADRN COC(=O)c1cc(NC(=O)c2coc(-c3c(F)cccc3F)n2)cc(Br)c1F ZINC001435882272 1065043001 /nfs/dbraw/zinc/04/30/01/1065043001.db2.gz ZTSJFBRAZACSQC-UHFFFAOYSA-N 0 0 455.186 4.560 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C)c(C(=O)OC)o1)C1CC1 ZINC001435883894 1065043421 /nfs/dbraw/zinc/04/34/21/1065043421.db2.gz YQJSTRCPOJXAJB-KRWDZBQOSA-N 0 0 454.306 4.590 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)OCc3ccc(I)c(Cl)c3)cc2)c1 ZINC001435884107 1065043455 /nfs/dbraw/zinc/04/34/55/1065043455.db2.gz KLLZWIZNXRUWIB-UHFFFAOYSA-N 0 0 452.679 4.796 20 0 JJADRN O=C(COc1cccc2cccnc21)OCc1ccc(I)c(Cl)c1 ZINC001435884849 1065043862 /nfs/dbraw/zinc/04/38/62/1065043862.db2.gz PTQSOAQHPCJPSS-UHFFFAOYSA-N 0 0 453.663 4.615 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(I)cc2)c1C ZINC001435884458 1065043982 /nfs/dbraw/zinc/04/39/82/1065043982.db2.gz TWKXOXCTOJNDAF-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN O=C(OCc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001435885626 1065044063 /nfs/dbraw/zinc/04/40/63/1065044063.db2.gz VBPGTZPQNMWFOL-KRWDZBQOSA-N 0 0 458.725 4.728 20 0 JJADRN CCc1c(NC(=O)c2cnn(-c3ccccc3)c2OC)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435887216 1065044820 /nfs/dbraw/zinc/04/48/20/1065044820.db2.gz PMBNTQIPJPNVSG-UHFFFAOYSA-N 0 0 455.440 4.900 20 0 JJADRN CCCCc1nc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c(C(=O)OCC)[nH]1 ZINC001435887553 1065044846 /nfs/dbraw/zinc/04/48/46/1065044846.db2.gz TXTUMMZCNKVUPM-GFCCVEGCSA-N 0 0 454.340 4.963 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435888700 1065045523 /nfs/dbraw/zinc/04/55/23/1065045523.db2.gz HKQUZTWLOFWRCE-IRXDYDNUSA-N 0 0 458.430 4.687 20 0 JJADRN CC[C@@H](CN(C)C(=O)c1ccccc1CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889078 1065046067 /nfs/dbraw/zinc/04/60/67/1065046067.db2.gz FVCDAFPISYQXLS-SFHVURJKSA-N 0 0 451.394 4.755 20 0 JJADRN CC[C@H](CN(C)C(=O)c1ccccc1CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC001435889077 1065046083 /nfs/dbraw/zinc/04/60/83/1065046083.db2.gz FVCDAFPISYQXLS-GOSISDBHSA-N 0 0 451.394 4.755 20 0 JJADRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435889246 1065046147 /nfs/dbraw/zinc/04/61/47/1065046147.db2.gz HYZPMXWUKYGOLR-ZDUSSCGKSA-N 0 0 455.362 4.894 20 0 JJADRN CC[C@H](CN(C)C(=O)c1cccn(CC(F)(F)F)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC001435889585 1065046669 /nfs/dbraw/zinc/04/66/69/1065046669.db2.gz HWZUYGCLZJTCDK-GFCCVEGCSA-N 0 0 451.272 4.647 20 0 JJADRN CC[C@@H](CN(C)C(=O)CCc1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890219 1065047022 /nfs/dbraw/zinc/04/70/22/1065047022.db2.gz MLSYSOJCBMUCTK-INIZCTEOSA-N 0 0 458.407 4.646 20 0 JJADRN Cc1nc(Br)sc1C(=O)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC001360145616 1065047268 /nfs/dbraw/zinc/04/72/68/1065047268.db2.gz MESWRHYLJDBFEU-UHFFFAOYSA-N 0 0 457.349 4.632 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2F)c1 ZINC001360145660 1065047287 /nfs/dbraw/zinc/04/72/87/1065047287.db2.gz UEXHSMKEODWUBC-KRWDZBQOSA-N 0 0 453.297 4.553 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)cs1 ZINC001435891779 1065047902 /nfs/dbraw/zinc/04/79/02/1065047902.db2.gz OOIQYRKWOVPBGA-FQEVSTJZSA-N 0 0 452.418 4.730 20 0 JJADRN CC(C)[C@](C)(NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(Br)cc1 ZINC001435892359 1065048492 /nfs/dbraw/zinc/04/84/92/1065048492.db2.gz UXZCXTWYYLEILJ-FPOVZHCZSA-N 0 0 451.311 4.908 20 0 JJADRN CC(C)[C@](C)(NC(=O)c1nn2c(c1Br)CCC2)c1ccc(Br)cc1 ZINC001435892907 1065048951 /nfs/dbraw/zinc/04/89/51/1065048951.db2.gz ZWZCQDHUJBAONY-SFHVURJKSA-N 0 0 455.194 4.656 20 0 JJADRN C[C@H](CC(=O)NCC1(c2cccc(Cl)c2F)CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001435893961 1065049420 /nfs/dbraw/zinc/04/94/20/1065049420.db2.gz CZYHNQGAOFFFIX-OAHLLOKOSA-N 0 0 455.954 4.799 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)Oc1cc(F)cc(I)c1 ZINC001435894221 1065049510 /nfs/dbraw/zinc/04/95/10/1065049510.db2.gz VKEYHQCSVVRNNG-UHFFFAOYSA-N 0 0 454.157 4.867 20 0 JJADRN COc1ccccc1CC(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001435894268 1065049526 /nfs/dbraw/zinc/04/95/26/1065049526.db2.gz FWYVMWKTRUTGGE-UHFFFAOYSA-N 0 0 450.194 4.605 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N(C)Cc3ccc(F)c(Cl)c3)cc2)cc1 ZINC001435893881 1065049626 /nfs/dbraw/zinc/04/96/26/1065049626.db2.gz RUHFGFWTNQDHEL-UHFFFAOYSA-N 0 0 454.929 4.619 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)c1cnn(C2CCC2)c1 ZINC001435896445 1065050474 /nfs/dbraw/zinc/05/04/74/1065050474.db2.gz XGOGOIAABLKOGW-UHFFFAOYSA-N 0 0 450.198 4.589 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001435897941 1065051273 /nfs/dbraw/zinc/05/12/73/1065051273.db2.gz NAULXTQLQWCICV-DHZHZOJOSA-N 0 0 450.329 4.678 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c1C(F)(F)F ZINC001360148764 1065051832 /nfs/dbraw/zinc/05/18/32/1065051832.db2.gz MYFGNHMEHMZEGJ-QGZVFWFLSA-N 0 0 458.484 4.845 20 0 JJADRN COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC001435898488 1065051842 /nfs/dbraw/zinc/05/18/42/1065051842.db2.gz VNOMXHMIUALEOS-UHFFFAOYSA-N 0 0 456.285 4.659 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(C(F)(F)F)c(Br)c3)CC2=O)cc1 ZINC001435900273 1065052701 /nfs/dbraw/zinc/05/27/01/1065052701.db2.gz NKCQOZCLJOFSFR-CQSZACIVSA-N 0 0 455.274 4.764 20 0 JJADRN CCc1c(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)nnn1Cc1ccc(F)cc1 ZINC001435900460 1065052752 /nfs/dbraw/zinc/05/27/52/1065052752.db2.gz DHPLYRAGFRFUBY-UHFFFAOYSA-N 0 0 451.527 4.721 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435900439 1065052795 /nfs/dbraw/zinc/05/27/95/1065052795.db2.gz CQNLCBZVIWCRBZ-SGTLLEGYSA-N 0 0 450.486 4.604 20 0 JJADRN CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC001435900596 1065053233 /nfs/dbraw/zinc/05/32/33/1065053233.db2.gz BNQJHCISNWOSRX-MRXNPFEDSA-N 0 0 451.972 4.830 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1)OCC(F)(F)F ZINC001360150698 1065054378 /nfs/dbraw/zinc/05/43/78/1065054378.db2.gz JTJCZLPITYPGTJ-UHFFFAOYSA-N 0 0 459.428 4.645 20 0 JJADRN O=C(Cc1ccccc1OC(F)F)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001435903040 1065054494 /nfs/dbraw/zinc/05/44/94/1065054494.db2.gz YBTATUMYXZCGBK-UHFFFAOYSA-N 0 0 454.311 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC001435902928 1065054619 /nfs/dbraw/zinc/05/46/19/1065054619.db2.gz SQRNLMHUEOPYOM-IRLDBZIGSA-N 0 0 455.599 4.602 20 0 JJADRN O=C(COCCNC(=O)c1ccccc1)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC001435903736 1065054641 /nfs/dbraw/zinc/05/46/41/1065054641.db2.gz UFDLUAOHKVBNTG-UHFFFAOYSA-N 0 0 450.240 4.502 20 0 JJADRN C[C@@H](CCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)CC(C)(C)C ZINC001435903852 1065055130 /nfs/dbraw/zinc/05/51/30/1065055130.db2.gz BXDACQSPLUHJAD-LSDHHAIUSA-N 0 0 457.566 4.590 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001435905317 1065055311 /nfs/dbraw/zinc/05/53/11/1065055311.db2.gz VJGVCEJYNJNDHJ-INIZCTEOSA-N 0 0 453.404 4.841 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001435906051 1065055761 /nfs/dbraw/zinc/05/57/61/1065055761.db2.gz CRJISBGRBQDUHV-QRWLVFNGSA-N 0 0 455.967 4.580 20 0 JJADRN CCCCCn1nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c2ccccc2c1=O ZINC001435906216 1065055869 /nfs/dbraw/zinc/05/58/69/1065055869.db2.gz FOOJUCBBDYLZSC-JTSKRJEESA-N 0 0 453.970 4.842 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC001435907287 1065056192 /nfs/dbraw/zinc/05/61/92/1065056192.db2.gz OVTKRICQOYKYCW-FZKQIMNGSA-N 0 0 455.723 4.855 20 0 JJADRN CCCCOc1ccc(CNC(=O)Cc2ccc(I)cc2)cc1Cl ZINC001435906651 1065056358 /nfs/dbraw/zinc/05/63/58/1065056358.db2.gz LAHFOEPGXMAMKG-UHFFFAOYSA-N 0 0 457.739 4.982 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC001435907289 1065056445 /nfs/dbraw/zinc/05/64/45/1065056445.db2.gz OVTKRICQOYKYCW-UGSOOPFHSA-N 0 0 455.723 4.855 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2csc(Cc3ccc(C)cc3)n2)c(Br)c1 ZINC001435907542 1065056682 /nfs/dbraw/zinc/05/66/82/1065056682.db2.gz ADMHUIJSZPMIBZ-UHFFFAOYSA-N 0 0 459.365 4.521 20 0 JJADRN COC(=O)[C@]1(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[C@H]1c1ccccc1 ZINC001435907525 1065056820 /nfs/dbraw/zinc/05/68/20/1065056820.db2.gz VNAIBIANIYTURV-HTAPYJJXSA-N 0 0 451.872 4.854 20 0 JJADRN O=C(c1cnc(Br)c(Br)c1)N(Cc1cscn1)c1ccccc1 ZINC001360153968 1065056928 /nfs/dbraw/zinc/05/69/28/1065056928.db2.gz LEOYKSYZZMOWSI-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001435908169 1065057039 /nfs/dbraw/zinc/05/70/39/1065057039.db2.gz CGFFLAKGXMNNQT-OAHLLOKOSA-N 0 0 459.384 4.755 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CC=CCC2)c2ccccc2c1=O ZINC001360156484 1065057917 /nfs/dbraw/zinc/05/79/17/1065057917.db2.gz BSUAKWQFTXGGHH-QGZVFWFLSA-N 0 0 474.531 4.981 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)c(F)c1 ZINC001435909077 1065058028 /nfs/dbraw/zinc/05/80/28/1065058028.db2.gz WPZQMJRDSVBCFB-GTNSWQLSSA-N 0 0 459.686 4.686 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2cc(F)cc(F)c2Br)cc1)c1cccs1 ZINC001435909356 1065058183 /nfs/dbraw/zinc/05/81/83/1065058183.db2.gz OUAWWEUGQCTCNO-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001435909232 1065058195 /nfs/dbraw/zinc/05/81/95/1065058195.db2.gz IMQOKMHRWHTGEE-IRXDYDNUSA-N 0 0 459.384 4.613 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC(F)(F)F)c2ccccc2c1=O ZINC001360156637 1065058598 /nfs/dbraw/zinc/05/85/98/1065058598.db2.gz HJIRGXZUKBWCSZ-MRXNPFEDSA-N 0 0 492.546 4.582 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)c1ccccc1 ZINC001435909644 1065058594 /nfs/dbraw/zinc/05/85/94/1065058594.db2.gz AKAKZYQYFNKHEG-VWLOTQADSA-N 0 0 458.986 4.966 20 0 JJADRN COCCCOc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1 ZINC001435910882 1065058900 /nfs/dbraw/zinc/05/89/00/1065058900.db2.gz CHZYGBUIVHVONO-INIZCTEOSA-N 0 0 450.379 4.939 20 0 JJADRN CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC001435910744 1065059041 /nfs/dbraw/zinc/05/90/41/1065059041.db2.gz BNQJHCISNWOSRX-INIZCTEOSA-N 0 0 451.972 4.830 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c(Br)c1 ZINC001435910813 1065059124 /nfs/dbraw/zinc/05/91/24/1065059124.db2.gz QYRWOVYWQKFXCT-UHFFFAOYSA-N 0 0 456.361 4.993 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)Cc1cccc(Cl)c1 ZINC001435911605 1065059385 /nfs/dbraw/zinc/05/93/85/1065059385.db2.gz DKSPDPFZQQYTPO-SFHVURJKSA-N 0 0 452.776 4.861 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001360160719 1065059371 /nfs/dbraw/zinc/05/93/71/1065059371.db2.gz PASDBCPMCRACOY-UHFFFAOYSA-N 0 0 453.695 4.878 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)c1cc(I)c(C)cc1C)C(=O)OCC ZINC001360158025 1065059418 /nfs/dbraw/zinc/05/94/18/1065059418.db2.gz CXLNWQGLYKLVBM-HXUWFJFHSA-N 0 0 459.368 4.930 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)c2ccc([C@@H]3CCCOC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001360161099 1065059746 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SGMMQOHWZVTWSR-UHFFFAOYSA-N 0 0 457.868 4.982 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360161552 1065060429 /nfs/dbraw/zinc/06/04/29/1065060429.db2.gz DRROBQLDUFCGLP-OAHLLOKOSA-N 0 0 486.498 4.822 20 0 JJADRN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)[C@]3(C(=O)OC(C)(C)C)C[C@H]3C)c12 ZINC001435914093 1065060712 /nfs/dbraw/zinc/06/07/12/1065060712.db2.gz VVJNDUYTKQMXNH-OZAJXLCCSA-N 0 0 454.958 4.997 20 0 JJADRN Cc1cc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ccc1Cl ZINC001360162147 1065060829 /nfs/dbraw/zinc/06/08/29/1065060829.db2.gz UCDIMVUTVSABAU-OAQYLSRUSA-N 0 0 451.394 4.649 20 0 JJADRN COc1ccc(C2(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)CCC2)cc1 ZINC001360162374 1065061263 /nfs/dbraw/zinc/06/12/63/1065061263.db2.gz XIHKMYXPYGVLGG-HSZRJFAPSA-N 0 0 457.014 4.739 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)Cc1coc2ccccc12 ZINC001435915155 1065061489 /nfs/dbraw/zinc/06/14/89/1065061489.db2.gz YQGMZERVZKMORQ-SFHVURJKSA-N 0 0 458.352 4.954 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCCC1(F)F ZINC001360162875 1065061643 /nfs/dbraw/zinc/06/16/43/1065061643.db2.gz UZKJTRVZYQXPRZ-HUUCEWRRSA-N 0 0 455.500 4.717 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cn(CC(C)C)nc1C(F)F ZINC001435917305 1065062274 /nfs/dbraw/zinc/06/22/74/1065062274.db2.gz JFCDRQNKDIJHTC-UHFFFAOYSA-N 0 0 450.530 4.743 20 0 JJADRN C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001360166520 1065062655 /nfs/dbraw/zinc/06/26/55/1065062655.db2.gz COYDUHFMFAFOJH-OBEJXRGXSA-N 0 0 454.375 4.988 20 0 JJADRN C[C@@H](CNC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435917991 1065063059 /nfs/dbraw/zinc/06/30/59/1065063059.db2.gz DIVUDHDAQZHYTM-INIZCTEOSA-N 0 0 457.514 4.578 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360168236 1065063117 /nfs/dbraw/zinc/06/31/17/1065063117.db2.gz NVBKILJQMJLCQO-WMLDXEAASA-N 0 0 498.550 4.734 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1C ZINC001435919647 1065063284 /nfs/dbraw/zinc/06/32/84/1065063284.db2.gz LZUSXDVBZVOXFJ-UHFFFAOYSA-N 0 0 458.477 4.608 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360169515 1065063523 /nfs/dbraw/zinc/06/35/23/1065063523.db2.gz IQOLOQJZYNHBTF-PXNSSMCTSA-N 0 0 480.028 4.687 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NCCc2ccc(F)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435920137 1065063851 /nfs/dbraw/zinc/06/38/51/1065063851.db2.gz HUJPGZVTEGIRJN-QVKFZJNVSA-N 0 0 452.904 4.804 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1Cc1csc2ccccc12 ZINC001360169664 1065064062 /nfs/dbraw/zinc/06/40/62/1065064062.db2.gz NQYNEFKMCFPVIO-UHFFFAOYSA-N 0 0 488.411 4.671 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@](C)(O)C1CCCCC1 ZINC001360169574 1065064159 /nfs/dbraw/zinc/06/41/59/1065064159.db2.gz KDGJTAOOMDGQNX-QHCPKHFHSA-N 0 0 499.553 4.542 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001360169550 1065064251 /nfs/dbraw/zinc/06/42/51/1065064251.db2.gz JHUBSKWUYDKZEF-FXAWDEMLSA-N 0 0 480.028 4.687 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001360169553 1065064277 /nfs/dbraw/zinc/06/42/77/1065064277.db2.gz JHUBSKWUYDKZEF-YLJYHZDGSA-N 0 0 480.028 4.687 20 0 JJADRN CC(C)n1nccc1C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435921419 1065064370 /nfs/dbraw/zinc/06/43/70/1065064370.db2.gz MEJAHVMHIUSEHX-VXKWHMMOSA-N 0 0 454.615 4.842 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001435921081 1065064481 /nfs/dbraw/zinc/06/44/81/1065064481.db2.gz ABPLMVGKONRFHU-AEFFLSMTSA-N 0 0 454.958 4.522 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1Cc1ccc(Cl)s1 ZINC001360169960 1065064665 /nfs/dbraw/zinc/06/46/65/1065064665.db2.gz ZCCUHYWDFWDIDL-UHFFFAOYSA-N 0 0 489.926 4.974 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1C[C@@H]1CCCC1(C)C ZINC001360171811 1065065080 /nfs/dbraw/zinc/06/50/80/1065065080.db2.gz BYIIUPDVGHTECK-KRWDZBQOSA-N 0 0 451.537 4.898 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360172669 1065065534 /nfs/dbraw/zinc/06/55/34/1065065534.db2.gz QDTCCSLGKDSQEV-ZDUSSCGKSA-N 0 0 494.534 4.744 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC001360174041 1065065873 /nfs/dbraw/zinc/06/58/73/1065065873.db2.gz YRMWQCOCSJVCMM-UHFFFAOYSA-N 0 0 451.792 4.608 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c1 ZINC001435924544 1065066268 /nfs/dbraw/zinc/06/62/68/1065066268.db2.gz FMLCQWBZPPLHNB-UHFFFAOYSA-N 0 0 455.308 4.995 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(OC(CC)CC)cc3)CC2)cc1 ZINC001360174303 1065066375 /nfs/dbraw/zinc/06/63/75/1065066375.db2.gz FSGUGMUGZRGDNH-FQEVSTJZSA-N 0 0 452.595 4.568 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360177878 1065066757 /nfs/dbraw/zinc/06/67/57/1065066757.db2.gz IMACLAYYFYTTQF-LJQANCHMSA-N 0 0 453.336 4.970 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001360178192 1065066835 /nfs/dbraw/zinc/06/68/35/1065066835.db2.gz PGPPGSYZMBWABI-DEOSSOPVSA-N 0 0 459.546 4.833 20 0 JJADRN O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001360177666 1065066848 /nfs/dbraw/zinc/06/68/48/1065066848.db2.gz BMEOZYOCPWWICY-UHFFFAOYSA-N 0 0 453.424 4.555 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 ZINC001360178068 1065066927 /nfs/dbraw/zinc/06/69/27/1065066927.db2.gz OFSAVJPKIHCSMM-KAMYIIQDSA-N 0 0 455.558 4.594 20 0 JJADRN C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001435928725 1065067995 /nfs/dbraw/zinc/06/79/95/1065067995.db2.gz MTVQDQVPTMARPX-RBUKOAKNSA-N 0 0 454.596 4.676 20 0 JJADRN Cc1cc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001360179341 1065068036 /nfs/dbraw/zinc/06/80/36/1065068036.db2.gz FUXLTBPFVWJTKK-KRWDZBQOSA-N 0 0 458.484 4.845 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cc(Br)c(C)s1)c1ccc(Cl)c(Cl)c1 ZINC001435929406 1065068082 /nfs/dbraw/zinc/06/80/82/1065068082.db2.gz ANGRSJSXWIKVSD-MRXNPFEDSA-N 0 0 451.169 4.944 20 0 JJADRN CCc1cc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)nc(C)n1 ZINC001360180978 1065068277 /nfs/dbraw/zinc/06/82/77/1065068277.db2.gz NBXPHJRPCNBAOG-UHFFFAOYSA-N 0 0 458.518 4.841 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1Cc1sccc1Br ZINC001360181504 1065068678 /nfs/dbraw/zinc/06/86/78/1065068678.db2.gz GMHKOPZZQVNCRB-UHFFFAOYSA-N 0 0 494.434 4.843 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001360182775 1065069699 /nfs/dbraw/zinc/06/96/99/1065069699.db2.gz ZMBQAKKSHVDHTK-SFHVURJKSA-N 0 0 456.970 4.894 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001360182612 1065069784 /nfs/dbraw/zinc/06/97/84/1065069784.db2.gz WFXDSMWBGQYWDJ-QZTJIDSGSA-N 0 0 455.986 4.832 20 0 JJADRN C[C@@H](CC(=O)Nc1cn2cc(Br)ncc2n1)c1ccc(F)c(Br)c1 ZINC001435933497 1065070015 /nfs/dbraw/zinc/07/00/15/1065070015.db2.gz HENJMFYKHDGEKU-VIFPVBQESA-N 0 0 456.113 4.526 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360183024 1065070223 /nfs/dbraw/zinc/07/02/23/1065070223.db2.gz LXEFSMHLRLLVKJ-UHFFFAOYSA-N 0 0 471.621 4.708 20 0 JJADRN CC[C@@]1(C(=O)Nc2cc(I)ccc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001435934465 1065070599 /nfs/dbraw/zinc/07/05/99/1065070599.db2.gz ZTLSOBVPAGALNR-LJQANCHMSA-N 0 0 458.340 4.575 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccccc1OCC(F)(F)F ZINC001360183319 1065070646 /nfs/dbraw/zinc/07/06/46/1065070646.db2.gz SWAMZUWXJYZCFO-UHFFFAOYSA-N 0 0 495.571 4.882 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001360183510 1065070690 /nfs/dbraw/zinc/07/06/90/1065070690.db2.gz YDCQEBCIGTWRTG-DENIHFKCSA-N 0 0 485.654 4.729 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001360183513 1065070789 /nfs/dbraw/zinc/07/07/89/1065070789.db2.gz YDCQEBCIGTWRTG-UGKGYDQZSA-N 0 0 485.654 4.729 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001435935362 1065071091 /nfs/dbraw/zinc/07/10/91/1065071091.db2.gz UPJFLDOMBBPIJD-IZZNHLLZSA-N 0 0 459.542 4.501 20 0 JJADRN CC(=O)Nc1ccc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cc1Cl ZINC001435936130 1065071559 /nfs/dbraw/zinc/07/15/59/1065071559.db2.gz FDHNTXSXOSQJGR-OAQYLSRUSA-N 0 0 450.922 4.555 20 0 JJADRN O=C(Nc1nnc(CC2CCCCC2)s1)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001360185715 1065071757 /nfs/dbraw/zinc/07/17/57/1065071757.db2.gz XVGSGYYAXWUNIA-UHFFFAOYSA-N 0 0 451.589 4.769 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360186035 1065071786 /nfs/dbraw/zinc/07/17/86/1065071786.db2.gz FMRCQGWSVDAMFJ-JCGIZDLHSA-N 0 0 481.975 4.734 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360186036 1065072257 /nfs/dbraw/zinc/07/22/57/1065072257.db2.gz FMRCQGWSVDAMFJ-QGTPRVQTSA-N 0 0 481.975 4.734 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)ccn2)C1 ZINC001435938364 1065072643 /nfs/dbraw/zinc/07/26/43/1065072643.db2.gz WCHHCYVEBWBRSA-PXDATVDWSA-N 0 0 457.574 4.575 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC001435937855 1065072730 /nfs/dbraw/zinc/07/27/30/1065072730.db2.gz LSMLPXVIUHTARC-UHFFFAOYSA-N 0 0 459.856 4.730 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)ccn2)C1 ZINC001435938361 1065072815 /nfs/dbraw/zinc/07/28/15/1065072815.db2.gz WCHHCYVEBWBRSA-BWKNWUBXSA-N 0 0 457.574 4.575 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 ZINC001360187673 1065072678 /nfs/dbraw/zinc/07/26/78/1065072678.db2.gz HMAYGETWVFAUAL-PGRDOPGGSA-N 0 0 457.412 4.862 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 ZINC001360187671 1065072739 /nfs/dbraw/zinc/07/27/39/1065072739.db2.gz HMAYGETWVFAUAL-AVRDEDQJSA-N 0 0 457.412 4.862 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1Cc1ccsc1Br ZINC001360188743 1065073033 /nfs/dbraw/zinc/07/30/33/1065073033.db2.gz MPMZDUCRSIHUNY-YJBOKZPZSA-N 0 0 488.455 4.671 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001435938479 1065073088 /nfs/dbraw/zinc/07/30/88/1065073088.db2.gz DOWCUXIRGZHJOA-OALUTQOASA-N 0 0 458.624 4.511 20 0 JJADRN C[C@@H](C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)[C@H](C)NC(=O)OC(C)(C)C ZINC001360190027 1065074189 /nfs/dbraw/zinc/07/41/89/1065074189.db2.gz IWXBWIHVYHCTAF-DVOMOZLQSA-N 0 0 457.434 4.994 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(C2CCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001492597008 1065074235 /nfs/dbraw/zinc/07/42/35/1065074235.db2.gz QCELNLGGOQMKAS-MRXNPFEDSA-N 0 0 462.520 4.710 20 0 JJADRN C[C@@H](C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)[C@H](C)NC(=O)OC(C)(C)C ZINC001360190030 1065074376 /nfs/dbraw/zinc/07/43/76/1065074376.db2.gz IWXBWIHVYHCTAF-WWGRRREGSA-N 0 0 457.434 4.994 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 ZINC001435940858 1065074309 /nfs/dbraw/zinc/07/43/09/1065074309.db2.gz RNAFXQMACITJTD-UHFFFAOYSA-N 0 0 459.365 4.835 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1cccs1 ZINC001435941816 1065074691 /nfs/dbraw/zinc/07/46/91/1065074691.db2.gz KPOQVDSWYMDLCV-MRXNPFEDSA-N 0 0 454.577 4.529 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC001435941612 1065074779 /nfs/dbraw/zinc/07/47/79/1065074779.db2.gz PTLKOZXIUOSWAC-LJQANCHMSA-N 0 0 457.412 4.968 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)[C@H]1c1cccc(C)c1 ZINC001360190198 1065074643 /nfs/dbraw/zinc/07/46/43/1065074643.db2.gz OFEPTMLZDGVVNO-FYYLOGMGSA-N 0 0 452.551 4.535 20 0 JJADRN CC1(C)CC[C@@H](C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC001360190278 1065074765 /nfs/dbraw/zinc/07/47/65/1065074765.db2.gz QPYFGPVURKLNGD-RTWAWAEBSA-N 0 0 451.592 4.824 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001435943795 1065075046 /nfs/dbraw/zinc/07/50/46/1065075046.db2.gz YJCFKLGUEHZHGI-HXUWFJFHSA-N 0 0 452.954 4.798 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCc1ccc(Br)s1 ZINC001360191687 1065075152 /nfs/dbraw/zinc/07/51/52/1065075152.db2.gz RVKTVQIJKVTMRU-AWEZNQCLSA-N 0 0 474.428 4.564 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001435943793 1065075115 /nfs/dbraw/zinc/07/51/15/1065075115.db2.gz YJCFKLGUEHZHGI-FQEVSTJZSA-N 0 0 452.954 4.798 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001360192149 1065075628 /nfs/dbraw/zinc/07/56/28/1065075628.db2.gz OZTXSSCNJOHVMZ-SQJMNOBHSA-N 0 0 458.558 4.677 20 0 JJADRN Cc1c(CC(=O)N2CCCc3cc(Br)cc(Cl)c32)nnn1-c1ccc(C)cc1 ZINC001360193482 1065076125 /nfs/dbraw/zinc/07/61/25/1065076125.db2.gz FJAUOIFKFBVNPK-UHFFFAOYSA-N 0 0 459.775 4.822 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCC3(c4ccc(F)cc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435947919 1065076544 /nfs/dbraw/zinc/07/65/44/1065076544.db2.gz OYGPHPWIIOJQGO-GBXCKJPGSA-N 0 0 456.533 4.511 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1)c1ccccc1 ZINC001360196985 1065077157 /nfs/dbraw/zinc/07/71/57/1065077157.db2.gz GRYMGMIVGPZEJS-OAQYLSRUSA-N 0 0 453.464 4.966 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001360197739 1065077296 /nfs/dbraw/zinc/07/72/96/1065077296.db2.gz LWTAAEWADHLDKH-XTEPFMGCSA-N 0 0 457.618 4.651 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)c3cncc(N4CCCC4)n3)c2C(=O)OC(C)(C)C)C1 ZINC001435949195 1065077489 /nfs/dbraw/zinc/07/74/89/1065077489.db2.gz GQDNNTRLDNVGMX-OAHLLOKOSA-N 0 0 456.612 4.861 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC001360198482 1065077717 /nfs/dbraw/zinc/07/77/17/1065077717.db2.gz XVRZAUDLVKXKNN-OAQYLSRUSA-N 0 0 452.530 4.997 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC2(Cc3ccccc3)CC2)C1 ZINC001435949902 1065078006 /nfs/dbraw/zinc/07/80/06/1065078006.db2.gz MWKBBYUAFMTZJJ-LJQANCHMSA-N 0 0 455.396 4.501 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360199074 1065078265 /nfs/dbraw/zinc/07/82/65/1065078265.db2.gz BMHWGVXKGNCBDY-QFBILLFUSA-N 0 0 492.437 4.906 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360200782 1065078308 /nfs/dbraw/zinc/07/83/08/1065078308.db2.gz JELAHOFHGPVZEC-PMPSAXMXSA-N 0 0 463.495 4.582 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]4C)n2n1 ZINC001435952353 1065078488 /nfs/dbraw/zinc/07/84/88/1065078488.db2.gz WKEXWEOBFCGGTO-KGLIPLIRSA-N 0 0 456.568 4.637 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC001435951199 1065078520 /nfs/dbraw/zinc/07/85/20/1065078520.db2.gz YIKSTXLZUKWYOE-UHFFFAOYSA-N 0 0 452.857 4.779 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)C[C@H](C)O[C@H]4C)n2n1 ZINC001435952351 1065078639 /nfs/dbraw/zinc/07/86/39/1065078639.db2.gz WKEXWEOBFCGGTO-KBPBESRZSA-N 0 0 456.568 4.637 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc2ncsc2c1 ZINC001435954660 1065079291 /nfs/dbraw/zinc/07/92/91/1065079291.db2.gz GHRZYKJJQMIEEB-YWZLYKJASA-N 0 0 453.633 4.986 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc2ncsc2c1 ZINC001435954659 1065079469 /nfs/dbraw/zinc/07/94/69/1065079469.db2.gz GHRZYKJJQMIEEB-QRWLVFNGSA-N 0 0 453.633 4.986 20 0 JJADRN O=C(Nc1cccc(Cl)c1SCC(F)F)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001360204915 1065079578 /nfs/dbraw/zinc/07/95/78/1065079578.db2.gz BILIJVFPSQFJAY-AWEZNQCLSA-N 0 0 456.917 4.866 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(OCc2ccccc2)c1 ZINC001435955583 1065079785 /nfs/dbraw/zinc/07/97/85/1065079785.db2.gz CDXDWGHUORMGHX-SFHVURJKSA-N 0 0 450.922 4.919 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1 ZINC001360206353 1065080101 /nfs/dbraw/zinc/08/01/01/1065080101.db2.gz WDKKRCIAXOKZQV-OAHLLOKOSA-N 0 0 457.546 4.869 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 ZINC001435955742 1065080431 /nfs/dbraw/zinc/08/04/31/1065080431.db2.gz HRKNHWHGXGQKFA-QUCCMNQESA-N 0 0 457.665 4.544 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001360207461 1065080465 /nfs/dbraw/zinc/08/04/65/1065080465.db2.gz DDEUILKPHUSOBH-CUNXSJBXSA-N 0 0 450.579 4.528 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(OCc2ccccc2)c1 ZINC001435957143 1065080799 /nfs/dbraw/zinc/08/07/99/1065080799.db2.gz KSENSTGUXRXNIU-KRWDZBQOSA-N 0 0 452.457 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545894462 1065080878 /nfs/dbraw/zinc/08/08/78/1065080878.db2.gz XFLAPNYRXYVBNU-GOSISDBHSA-N 0 0 462.038 4.779 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2ccc(I)cc2F)cc1 ZINC001360207810 1065081005 /nfs/dbraw/zinc/08/10/05/1065081005.db2.gz OCAIHMYISUQORL-LBPRGKRZSA-N 0 0 459.324 4.660 20 0 JJADRN CCN(CC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(=O)OC(C)(C)C ZINC001360209641 1065081415 /nfs/dbraw/zinc/08/14/15/1065081415.db2.gz ZTGPYKCVWCSANE-UHFFFAOYSA-N 0 0 453.461 4.766 20 0 JJADRN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCSC[C@@H]1c1nccs1 ZINC001435957972 1065081818 /nfs/dbraw/zinc/08/18/18/1065081818.db2.gz WOYGNDZEVLKQAY-CYBMUJFWSA-N 0 0 453.376 4.963 20 0 JJADRN COc1ccc(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001435958404 1065082129 /nfs/dbraw/zinc/08/21/29/1065082129.db2.gz TZQGPFPMSJTEEF-AVRDEDQJSA-N 0 0 458.530 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CC3)[C@@H](c2ccc(Cl)cc2)C1 ZINC001360212290 1065082294 /nfs/dbraw/zinc/08/22/94/1065082294.db2.gz QLHGMFKDPONMJV-UXHICEINSA-N 0 0 469.969 4.814 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001360212460 1065082483 /nfs/dbraw/zinc/08/24/83/1065082483.db2.gz UDIIAEMDTXXJTQ-UHFFFAOYSA-N 0 0 454.351 4.883 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435959011 1065082737 /nfs/dbraw/zinc/08/27/37/1065082737.db2.gz CFFCOLICZZSZMP-HUUCEWRRSA-N 0 0 454.445 4.832 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)ccc21 ZINC001435960220 1065083068 /nfs/dbraw/zinc/08/30/68/1065083068.db2.gz HXWVFNASKNIQIP-UHFFFAOYSA-N 0 0 453.589 4.879 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC001435961391 1065083346 /nfs/dbraw/zinc/08/33/46/1065083346.db2.gz KZEJODKVOQKKBU-GXTWGEPZSA-N 0 0 454.354 4.944 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC001435962727 1065083764 /nfs/dbraw/zinc/08/37/64/1065083764.db2.gz XXSRSEZETJGKFL-UHFFFAOYSA-N 0 0 456.992 4.699 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCOc2c(F)cccc21 ZINC001435961683 1065083862 /nfs/dbraw/zinc/08/38/62/1065083862.db2.gz SEQQENIMVFVCSR-CTNGQTDRSA-N 0 0 455.327 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001360215056 1065083998 /nfs/dbraw/zinc/08/39/98/1065083998.db2.gz VWNDQYRUXKXNHB-LBPRGKRZSA-N 0 0 451.778 4.789 20 0 JJADRN O=C([C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CCCN(c2ncccc2F)CC1 ZINC001435964287 1065084281 /nfs/dbraw/zinc/08/42/81/1065084281.db2.gz XTCPODJRYCZUQD-QFIPXVFZSA-N 0 0 457.908 4.872 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(Br)cnc2Cl)cc1Br ZINC001435963667 1065084460 /nfs/dbraw/zinc/08/44/60/1065084460.db2.gz VVBKPWZOIYDMSE-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Oc3ccc(Br)c(F)c3)CCCC2)c1 ZINC001360217337 1065085143 /nfs/dbraw/zinc/08/51/43/1065085143.db2.gz FYQUOXDIQBFVJI-UHFFFAOYSA-N 0 0 455.345 4.897 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2SCC(F)(F)F)cc1 ZINC001360216943 1065085311 /nfs/dbraw/zinc/08/53/11/1065085311.db2.gz ROJCCWMXGOSYTQ-UHFFFAOYSA-N 0 0 458.527 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cc(C2CC2)ccc1F ZINC001545894573 1065085419 /nfs/dbraw/zinc/08/54/19/1065085419.db2.gz ZDJDALDGGAKJBY-QGZVFWFLSA-N 0 0 463.548 4.743 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1(Sc2ccccc2)CC1 ZINC001360219937 1065085584 /nfs/dbraw/zinc/08/55/84/1065085584.db2.gz WWAQNTFFGYCIGC-INIZCTEOSA-N 0 0 467.561 4.520 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)c1coc(S(C)(=O)=O)c1 ZINC001360220384 1065085800 /nfs/dbraw/zinc/08/58/00/1065085800.db2.gz GHDFEYLYZKHYFB-UHFFFAOYSA-N 0 0 455.576 4.850 20 0 JJADRN Cc1c(CC(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)nnn1-c1ccccc1 ZINC001360220680 1065086151 /nfs/dbraw/zinc/08/61/51/1065086151.db2.gz PKWBPNTZFRHQNA-XMMPIXPASA-N 0 0 452.892 4.956 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360221856 1065086694 /nfs/dbraw/zinc/08/66/94/1065086694.db2.gz FVAWEJZDJJGNII-SQNIBIBYSA-N 0 0 462.639 4.518 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(F)cc1Br ZINC001435971448 1065086789 /nfs/dbraw/zinc/08/67/89/1065086789.db2.gz NUYIWIBKYRYURX-UHFFFAOYSA-N 0 0 455.331 4.650 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCCOc1ccccc1 ZINC001360222526 1065087284 /nfs/dbraw/zinc/08/72/84/1065087284.db2.gz SUSSMDXVTHJIPF-FQEVSTJZSA-N 0 0 496.681 4.849 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC2 ZINC001435972126 1065087322 /nfs/dbraw/zinc/08/73/22/1065087322.db2.gz XAIICGYYGLRFGB-LJQANCHMSA-N 0 0 453.421 4.972 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001435973048 1065087629 /nfs/dbraw/zinc/08/76/29/1065087629.db2.gz HPRZTZXEBSTRGT-CXAGYDPISA-N 0 0 450.423 4.747 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360223456 1065087788 /nfs/dbraw/zinc/08/77/88/1065087788.db2.gz MJUDQYHPGUUIAR-GZNCHQMQSA-N 0 0 492.590 4.866 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)c1ccccc1 ZINC001360224615 1065087805 /nfs/dbraw/zinc/08/78/05/1065087805.db2.gz GPBVYSSQAYISRS-NRFANRHFSA-N 0 0 450.336 4.864 20 0 JJADRN COc1cc(N(C)C(=O)Cc2csc3ccc(Br)cc23)cc(OC)c1OC 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4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001435980518 1065091205 /nfs/dbraw/zinc/09/12/05/1065091205.db2.gz NUQHVTSYYHFTQX-UHFFFAOYSA-N 0 0 451.778 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC001435981849 1065091499 /nfs/dbraw/zinc/09/14/99/1065091499.db2.gz PWNFGBKBNATTDF-UHFFFAOYSA-N 0 0 453.370 4.699 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 ZINC001435983080 1065092069 /nfs/dbraw/zinc/09/20/69/1065092069.db2.gz ABWGRFPHKXSZTH-SFHVURJKSA-N 0 0 456.970 4.918 20 0 JJADRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(OC(F)F)cc1 ZINC001360232342 1065092292 /nfs/dbraw/zinc/09/22/92/1065092292.db2.gz FUTUBKSNXAPIBA-HZPDHXFCSA-N 0 0 453.507 4.627 20 0 JJADRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(OC(F)F)cc1 ZINC001360232340 1065092445 /nfs/dbraw/zinc/09/24/45/1065092445.db2.gz FUTUBKSNXAPIBA-CVEARBPZSA-N 0 0 453.507 4.627 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 ZINC001435983843 1065092538 /nfs/dbraw/zinc/09/25/38/1065092538.db2.gz HEUWBCGPCIOQKD-UHFFFAOYSA-N 0 0 457.379 4.817 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 ZINC001360232696 1065092689 /nfs/dbraw/zinc/09/26/89/1065092689.db2.gz STEFWJXHTVIBSX-MRXNPFEDSA-N 0 0 453.507 4.689 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001435986126 1065093222 /nfs/dbraw/zinc/09/32/22/1065093222.db2.gz QOVXKAZNRJCIBY-AREMUKBSSA-N 0 0 457.615 4.891 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001360233518 1065093302 /nfs/dbraw/zinc/09/33/02/1065093302.db2.gz MBPGFLCJIXXRFV-UHFFFAOYSA-N 0 0 459.446 4.613 20 0 JJADRN CCc1c(C(=O)Nc2nc3ccc(I)cc3s2)cnn1CC(C)C ZINC001435986118 1065093374 /nfs/dbraw/zinc/09/33/74/1065093374.db2.gz LBUZPJYXIJBUPQ-UHFFFAOYSA-N 0 0 454.337 4.568 20 0 JJADRN Cn1cc(-c2nc(C(=O)N[C@@H]3CCCc4cc(NC(=O)OC(C)(C)C)ccc43)cs2)cn1 ZINC001435986549 1065093609 /nfs/dbraw/zinc/09/36/09/1065093609.db2.gz IDQQLYLTMCFNFX-GOSISDBHSA-N 0 0 453.568 4.698 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F ZINC001435986329 1065093640 /nfs/dbraw/zinc/09/36/40/1065093640.db2.gz KDUGUGGJGVTJCA-QHCPKHFHSA-N 0 0 452.551 4.597 20 0 JJADRN Cc1ccc([C@H]2CCC[C@H]2OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC001435986445 1065093704 /nfs/dbraw/zinc/09/37/04/1065093704.db2.gz WVCADWLVSZHURV-YLJYHZDGSA-N 0 0 456.336 4.623 20 0 JJADRN C[C@H](OCc1ccc(F)cc1)C(=O)Nc1nc2ccc(I)cc2s1 ZINC001435987308 1065094583 /nfs/dbraw/zinc/09/45/83/1065094583.db2.gz PPGSVLKYQFFIOK-JTQLQIEISA-N 0 0 456.280 4.584 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001360236205 1065094679 /nfs/dbraw/zinc/09/46/79/1065094679.db2.gz SZKJGMHOGGPGPG-UHFFFAOYSA-N 0 0 457.502 4.781 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)[nH]c(=O)c2c1C ZINC001435987786 1065094693 /nfs/dbraw/zinc/09/46/93/1065094693.db2.gz YTGRNWWTMFWMDW-NXHRZFHOSA-N 0 0 457.621 4.672 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC001360239269 1065094970 /nfs/dbraw/zinc/09/49/70/1065094970.db2.gz PTWVXESNSNVXFO-IBGZPJMESA-N 0 0 454.979 4.625 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc2cc(Br)ccc2s1 ZINC001360238991 1065095008 /nfs/dbraw/zinc/09/50/08/1065095008.db2.gz HKUJAHJKHGMZQM-UHFFFAOYSA-N 0 0 459.365 4.697 20 0 JJADRN Cc1oc(C(=O)N[C@@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC001360236982 1065095039 /nfs/dbraw/zinc/09/50/39/1065095039.db2.gz SYFKQIJCUPXCIR-WSCWJOSJSA-N 0 0 458.624 4.978 20 0 JJADRN O=C(NC[C@@H]1CCc2ccccc21)c1ccc(Br)cc1I ZINC001360238673 1065095261 /nfs/dbraw/zinc/09/52/61/1065095261.db2.gz AUWSVONRQQMEER-LBPRGKRZSA-N 0 0 456.121 4.514 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC001360239979 1065095601 /nfs/dbraw/zinc/09/56/01/1065095601.db2.gz LQRGVLGFQHKIDM-UHFFFAOYSA-N 0 0 459.291 4.686 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC001435989020 1065095788 /nfs/dbraw/zinc/09/57/88/1065095788.db2.gz VWKQKMJASLFUPW-UHFFFAOYSA-N 0 0 454.328 4.711 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001435989008 1065095798 /nfs/dbraw/zinc/09/57/98/1065095798.db2.gz RIWDFXGFDNZRKO-VEYWIMSWSA-N 0 0 456.945 4.962 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC001360242377 1065096108 /nfs/dbraw/zinc/09/61/08/1065096108.db2.gz KJAHJEBXZKPIDT-LJQANCHMSA-N 0 0 459.359 4.712 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC001360242814 1065096142 /nfs/dbraw/zinc/09/61/42/1065096142.db2.gz QSEUAIRGGLRJDX-UHFFFAOYSA-N 0 0 450.944 4.812 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)n1 ZINC001435990063 1065096258 /nfs/dbraw/zinc/09/62/58/1065096258.db2.gz XWGSOCDURMZHNO-UHFFFAOYSA-N 0 0 450.593 4.643 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001360243879 1065096587 /nfs/dbraw/zinc/09/65/87/1065096587.db2.gz XVHADICZLWRBLM-MBNYWOFBSA-N 0 0 457.294 4.747 20 0 JJADRN Cc1cc(I)cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 ZINC001360243888 1065096635 /nfs/dbraw/zinc/09/66/35/1065096635.db2.gz YGWKLHPLAGRPGZ-UHFFFAOYSA-N 0 0 451.201 4.943 20 0 JJADRN COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)Cc1ccc(I)cc1 ZINC001435992583 1065097308 /nfs/dbraw/zinc/09/73/08/1065097308.db2.gz SUTLDZKTPHYCCZ-XLIONFOSSA-N 0 0 450.316 4.797 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCC(C)(C)Cc1ccccc1 ZINC001360246699 1065097662 /nfs/dbraw/zinc/09/76/62/1065097662.db2.gz HAVDQYQVLIQQQF-OAQYLSRUSA-N 0 0 454.615 4.762 20 0 JJADRN C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001435994414 1065098187 /nfs/dbraw/zinc/09/81/87/1065098187.db2.gz ZAUSHCGOEQTQOK-VGOFRKELSA-N 0 0 450.023 4.973 20 0 JJADRN Cc1cc(NC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)ccc1-c1ccc(Br)cc1 ZINC001435994591 1065098352 /nfs/dbraw/zinc/09/83/52/1065098352.db2.gz XEONZDZZPOYZJE-OAHLLOKOSA-N 0 0 452.356 4.940 20 0 JJADRN Cc1nc(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001435995106 1065098713 /nfs/dbraw/zinc/09/87/13/1065098713.db2.gz NZHCTBMRKPTOHP-UHFFFAOYSA-N 0 0 458.393 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360250298 1065098831 /nfs/dbraw/zinc/09/88/31/1065098831.db2.gz ACDSXWVEFOTSIV-FXAWDEMLSA-N 0 0 496.002 4.863 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)c1ccccc1 ZINC001360251105 1065099241 /nfs/dbraw/zinc/09/92/41/1065099241.db2.gz QIRPFBSNHFQLTE-ICSRJNTNSA-N 0 0 496.681 4.552 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CCC(C)(C)C1CC1 ZINC001360251232 1065099280 /nfs/dbraw/zinc/09/92/80/1065099280.db2.gz SDIYKYKSSFIORC-INIZCTEOSA-N 0 0 466.051 4.535 20 0 JJADRN COc1cc(C)c([C@H](C)OC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1C ZINC001435996554 1065099361 /nfs/dbraw/zinc/09/93/61/1065099361.db2.gz ADSRYUACGAHHTD-AVRDEDQJSA-N 0 0 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457.408 4.645 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)ccn1 ZINC001360278230 1065119500 /nfs/dbraw/zinc/11/95/00/1065119500.db2.gz HKWDUCKTIKZYFH-NSYGIPOTSA-N 0 0 450.535 4.804 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Oc2cc(F)c(Cl)cc2Br)C1 ZINC001436022535 1065119572 /nfs/dbraw/zinc/11/95/72/1065119572.db2.gz NAGUADUAKSPIKC-CQSZACIVSA-N 0 0 454.723 4.628 20 0 JJADRN Cc1cc(C)c(CC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c(C)c1Br ZINC001436023048 1065120251 /nfs/dbraw/zinc/12/02/51/1065120251.db2.gz OFSRRLAWPDSYOH-UHFFFAOYSA-N 0 0 453.384 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3nccnc3c2)[C@@H](c2cccc(Cl)c2)C1 ZINC001436023286 1065120256 /nfs/dbraw/zinc/12/02/56/1065120256.db2.gz ZCVOUGCIUYTSSO-OAQYLSRUSA-N 0 0 452.942 4.717 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC001360279239 1065120939 /nfs/dbraw/zinc/12/09/39/1065120939.db2.gz WURJHUUSTJVDDV-UHFFFAOYSA-N 0 0 455.392 4.798 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1=O ZINC001436025015 1065121448 /nfs/dbraw/zinc/12/14/48/1065121448.db2.gz IAPMICDTXIHOQQ-CYBMUJFWSA-N 0 0 456.848 4.671 20 0 JJADRN O=C(Nc1cccc(CSC2CCOCC2)c1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001360279914 1065121485 /nfs/dbraw/zinc/12/14/85/1065121485.db2.gz HAPXGEOPDRRUMX-HSZRJFAPSA-N 0 0 454.592 4.839 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 ZINC001360279388 1065121560 /nfs/dbraw/zinc/12/15/60/1065121560.db2.gz YXOIBACSPMDHHE-UHFFFAOYSA-N 0 0 451.548 4.818 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1=O ZINC001436025017 1065121565 /nfs/dbraw/zinc/12/15/65/1065121565.db2.gz IAPMICDTXIHOQQ-ZDUSSCGKSA-N 0 0 456.848 4.671 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001436026665 1065122214 /nfs/dbraw/zinc/12/22/14/1065122214.db2.gz RUNFLIJVDBLCIG-HTAPYJJXSA-N 0 0 451.405 4.835 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001436026668 1065122264 /nfs/dbraw/zinc/12/22/64/1065122264.db2.gz RUNFLIJVDBLCIG-JTSKRJEESA-N 0 0 451.405 4.835 20 0 JJADRN COc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC001360280505 1065122239 /nfs/dbraw/zinc/12/22/39/1065122239.db2.gz SLXYYVXFCHUMDZ-DEOSSOPVSA-N 0 0 458.624 4.729 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001360282272 1065122936 /nfs/dbraw/zinc/12/29/36/1065122936.db2.gz SXSVMISNPANKEX-HZPDHXFCSA-N 0 0 457.395 4.559 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccc(OC)c2OC)cc1 ZINC001436028048 1065123419 /nfs/dbraw/zinc/12/34/19/1065123419.db2.gz BJLSUBGEPNFSRJ-OAQYLSRUSA-N 0 0 454.567 4.700 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@H](c3ccccc3)C(C)C)c2)cc1 ZINC001360284937 1065124228 /nfs/dbraw/zinc/12/42/28/1065124228.db2.gz PPXRDRFMWXSUFN-DEOSSOPVSA-N 0 0 452.576 4.552 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001360285243 1065124289 /nfs/dbraw/zinc/12/42/89/1065124289.db2.gz AGBNTSFXSPFYCG-BEFAXECRSA-N 0 0 478.410 4.530 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cnn(C(C)(C)C)c1I ZINC001360286542 1065124846 /nfs/dbraw/zinc/12/48/46/1065124846.db2.gz KJGANJQMNSBBRO-CQSZACIVSA-N 0 0 459.759 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)[C@H](c2ccccc2Cl)C1 ZINC001436029549 1065125410 /nfs/dbraw/zinc/12/54/10/1065125410.db2.gz OWTUXNOSAMADQE-CTNGQTDRSA-N 0 0 454.954 4.831 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC001436029518 1065125476 /nfs/dbraw/zinc/12/54/76/1065125476.db2.gz OKKAMSGHWVHGJD-HNTVYWHESA-N 0 0 454.611 4.765 20 0 JJADRN CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1C ZINC001436029531 1065125488 /nfs/dbraw/zinc/12/54/88/1065125488.db2.gz OQRONNXZQBBEEY-QFIPXVFZSA-N 0 0 455.530 4.527 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)[C@@H](c2ccccc2Cl)C1 ZINC001436029553 1065125510 /nfs/dbraw/zinc/12/55/10/1065125510.db2.gz OWTUXNOSAMADQE-PZJWPPBQSA-N 0 0 454.954 4.831 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360287752 1065126129 /nfs/dbraw/zinc/12/61/29/1065126129.db2.gz XPYIWASGPWOCCW-UHFFFAOYSA-N 0 0 468.429 4.560 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001360287319 1065126138 /nfs/dbraw/zinc/12/61/38/1065126138.db2.gz IPEFHQQSGAOKKE-UHFFFAOYSA-N 0 0 477.609 4.824 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360287647 1065126156 /nfs/dbraw/zinc/12/61/56/1065126156.db2.gz TVSKAANMYRMJDV-HNNXBMFYSA-N 0 0 480.838 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2Br)[C@H](c2cccc(F)c2)C1 ZINC001436029873 1065126132 /nfs/dbraw/zinc/12/61/32/1065126132.db2.gz QNPFLZMFNVDMDO-INIZCTEOSA-N 0 0 453.308 4.615 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCC(=O)OC1CCCCC1 ZINC001436030317 1065126572 /nfs/dbraw/zinc/12/65/72/1065126572.db2.gz MEXYOCGNACPGEY-UHFFFAOYSA-N 0 0 452.382 4.721 20 0 JJADRN O=C(c1cc(Br)c2nccn2c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436030655 1065126609 /nfs/dbraw/zinc/12/66/09/1065126609.db2.gz OKZKTWOBSVXDBL-GOSISDBHSA-N 0 0 456.237 4.827 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001436030460 1065126633 /nfs/dbraw/zinc/12/66/33/1065126633.db2.gz CGMXNNPUDZMWKZ-UHFFFAOYSA-N 0 0 451.939 4.724 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1 ZINC001436030402 1065126686 /nfs/dbraw/zinc/12/66/86/1065126686.db2.gz USLMTIYDIYDYNS-XXBNENTESA-N 0 0 456.558 4.860 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360287816 1065126762 /nfs/dbraw/zinc/12/67/62/1065126762.db2.gz ZQLBFYHXRDFFGY-UHFFFAOYSA-N 0 0 485.629 4.731 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1 ZINC001436031333 1065127240 /nfs/dbraw/zinc/12/72/40/1065127240.db2.gz RXNCSHOSJCWCHQ-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)Cc2cc(Br)cc(I)c2)[C@H](C)C1 ZINC001360291657 1065127491 /nfs/dbraw/zinc/12/74/91/1065127491.db2.gz PNVDDOFLOHSMNE-HFAKWTLXSA-N 0 0 450.158 4.537 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)/C=C(/C)c1cccc(Cl)c1 ZINC001436031526 1065127967 /nfs/dbraw/zinc/12/79/67/1065127967.db2.gz RAHMPRGCDWVVSQ-RAXLEYEMSA-N 0 0 455.805 4.732 20 0 JJADRN Cc1ccc(CC(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(Br)c1 ZINC001436031933 1065128056 /nfs/dbraw/zinc/12/80/56/1065128056.db2.gz BDHXKCPRMTXXPO-JOCHJYFZSA-N 0 0 451.405 4.550 20 0 JJADRN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360293785 1065128180 /nfs/dbraw/zinc/12/81/80/1065128180.db2.gz SINPATOLAHMPEY-QGZVFWFLSA-N 0 0 454.246 4.967 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1 ZINC001436032139 1065128646 /nfs/dbraw/zinc/12/86/46/1065128646.db2.gz DFSRNDIGOZALPU-JOCHJYFZSA-N 0 0 453.583 4.596 20 0 JJADRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436032169 1065128719 /nfs/dbraw/zinc/12/87/19/1065128719.db2.gz DSERXNDGNHMLCH-HWWQOWPSSA-N 0 0 455.121 4.704 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)nnn1-c1cccc(C(C)C)c1 ZINC001360293817 1065128804 /nfs/dbraw/zinc/12/88/04/1065128804.db2.gz TZTVIUVPXOQJOO-MRXNPFEDSA-N 0 0 454.546 4.991 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N[C@@H](C)c3cc(OC)c(OC)cc3F)CC2(Cl)Cl)cc1 ZINC001360293921 1065128839 /nfs/dbraw/zinc/12/88/39/1065128839.db2.gz XHYYWOGLJDTTDX-YEJXKQKISA-N 0 0 456.341 4.934 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001360295642 1065128902 /nfs/dbraw/zinc/12/89/02/1065128902.db2.gz JLIKMBRVEHSGSJ-UHFFFAOYSA-N 0 0 467.658 4.862 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1C ZINC001360296908 1065130156 /nfs/dbraw/zinc/13/01/56/1065130156.db2.gz FBVVBBDUZZQJQJ-YTTGMZPUSA-N 0 0 457.592 4.689 20 0 JJADRN Cc1cc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)cc(C)c1Cl ZINC001436033393 1065130568 /nfs/dbraw/zinc/13/05/68/1065130568.db2.gz MQUHUMBSWGNNHJ-FQEVSTJZSA-N 0 0 459.974 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC001436033627 1065130580 /nfs/dbraw/zinc/13/05/80/1065130580.db2.gz RAAXKCLLGWBQMO-XMMPIXPASA-N 0 0 456.974 4.660 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001360297135 1065130625 /nfs/dbraw/zinc/13/06/25/1065130625.db2.gz LESYAKXPSKEJQX-UHFFFAOYSA-N 0 0 456.373 4.779 20 0 JJADRN O=C(Cc1csc(-c2ccoc2)n1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360297541 1065131652 /nfs/dbraw/zinc/13/16/52/1065131652.db2.gz WKCQTFJAEHIVON-UHFFFAOYSA-N 0 0 452.557 4.699 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccnc(Cl)c3s2)[C@H](c2ccncc2)C1 ZINC001436035364 1065132036 /nfs/dbraw/zinc/13/20/36/1065132036.db2.gz UGTNPDYCSJQNFA-INIZCTEOSA-N 0 0 458.971 4.779 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC001360299995 1065133032 /nfs/dbraw/zinc/13/30/32/1065133032.db2.gz BFYNHCITTMHVPH-SSEXGKCCSA-N 0 0 459.564 4.568 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001360300313 1065133036 /nfs/dbraw/zinc/13/30/36/1065133036.db2.gz LIJIJDWMHUUTGQ-WHUARKNTSA-N 0 0 450.535 4.515 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)C1(c2cncc(Br)c2)CC1 ZINC001360300580 1065133472 /nfs/dbraw/zinc/13/34/72/1065133472.db2.gz TYRNFJUOAKNTAV-MUUNZHRXSA-N 0 0 455.377 4.822 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(C)C)C2)cc1 ZINC001360302134 1065134936 /nfs/dbraw/zinc/13/49/36/1065134936.db2.gz UCHUBXZFVHLFMC-JOCHJYFZSA-N 0 0 461.614 4.791 20 0 JJADRN O=C(Nc1ncc(C(F)(F)F)cc1Br)c1nn(-c2ccccc2)c2c1CCC2 ZINC001436040062 1065135028 /nfs/dbraw/zinc/13/50/28/1065135028.db2.gz LXBKWCOIVJWRJP-UHFFFAOYSA-N 0 0 451.246 4.790 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC001360303115 1065135704 /nfs/dbraw/zinc/13/57/04/1065135704.db2.gz VGHMNWZHQBUARW-UPVQGACJSA-N 0 0 450.579 4.849 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2c(C)nn(C3CCOCC3)c2C)cc1 ZINC001360302823 1065135828 /nfs/dbraw/zinc/13/58/28/1065135828.db2.gz NZXWETMBNRQEEC-ZEQRLZLVSA-N 0 0 455.599 4.760 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC001360302429 1065135849 /nfs/dbraw/zinc/13/58/49/1065135849.db2.gz DAJGYKSRVAVMNR-UHFFFAOYSA-N 0 0 452.776 4.975 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC001360303563 1065136467 /nfs/dbraw/zinc/13/64/67/1065136467.db2.gz HZVKTWSWUGJNPQ-SFHVURJKSA-N 0 0 450.922 4.810 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 ZINC001360303478 1065136484 /nfs/dbraw/zinc/13/64/84/1065136484.db2.gz FLHBNBPDGSYHFR-UHFFFAOYSA-N 0 0 458.562 4.943 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CCCOc3ccc(S(C)(=O)=O)cc3)cn2)c1C ZINC001360303800 1065136506 /nfs/dbraw/zinc/13/65/06/1065136506.db2.gz OTJHZSLAOZZRIF-UHFFFAOYSA-N 0 0 454.548 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC001436042326 1065136463 /nfs/dbraw/zinc/13/64/63/1065136463.db2.gz AZFBALJKKSJJPA-KSZLIROESA-N 0 0 456.505 4.841 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c(OC)c1 ZINC001436042010 1065136483 /nfs/dbraw/zinc/13/64/83/1065136483.db2.gz MPJKQWCRIQHISO-UHFFFAOYSA-N 0 0 452.530 4.599 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(C)C)C2)cc1 ZINC001360304427 1065137153 /nfs/dbraw/zinc/13/71/53/1065137153.db2.gz JODQTGGWKCTEJQ-QHCPKHFHSA-N 0 0 475.641 4.715 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)CC2)c1 ZINC001436043601 1065138603 /nfs/dbraw/zinc/13/86/03/1065138603.db2.gz YZKJNWHODOITEW-UHFFFAOYSA-N 0 0 457.933 4.703 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)CS[C@H](C)c3nc4ccccc4[nH]3)CC2)c1 ZINC001436043875 1065138608 /nfs/dbraw/zinc/13/86/08/1065138608.db2.gz OBFZDFUEHXMACH-MRXNPFEDSA-N 0 0 457.571 4.862 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c2)c1C ZINC001436044474 1065139384 /nfs/dbraw/zinc/13/93/84/1065139384.db2.gz SCOUDQKRPYHOPV-QFIPXVFZSA-N 0 0 454.615 4.817 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc4cc(OC)c(OC)cc4c3)CC2)c1 ZINC001436044666 1065139447 /nfs/dbraw/zinc/13/94/47/1065139447.db2.gz YNHMQRQPGDKTDW-UHFFFAOYSA-N 0 0 453.510 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3cccc(Cl)c3F)no2)C(C)(C)C1 ZINC001436044849 1065139890 /nfs/dbraw/zinc/13/98/90/1065139890.db2.gz WMORGDXWJHQRSF-QGZVFWFLSA-N 0 0 451.926 4.900 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1cccc(Br)c1 ZINC001436045902 1065140688 /nfs/dbraw/zinc/14/06/88/1065140688.db2.gz OXGBDDSESDXMEY-UHFFFAOYSA-N 0 0 450.501 4.637 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC[C@H](c3ccccn3)C2)cc1)c1ccc(Br)cc1 ZINC001436046603 1065141273 /nfs/dbraw/zinc/14/12/73/1065141273.db2.gz ZLSICMQFYKNZAS-SFHVURJKSA-N 0 0 450.336 4.726 20 0 JJADRN CC[C@@H](C)[C@@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001436047746 1065142012 /nfs/dbraw/zinc/14/20/12/1065142012.db2.gz GBFJPOLDKWBDKK-CLOONOSVSA-N 0 0 456.542 4.958 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC001360306633 1065141869 /nfs/dbraw/zinc/14/18/69/1065141869.db2.gz DNSSRFOWHMLFNN-INIZCTEOSA-N 0 0 451.573 4.768 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ccccc3O[C@H](C)c3ccccc3)CC2=O)cc1 ZINC001360306919 1065141962 /nfs/dbraw/zinc/14/19/62/1065141962.db2.gz IDJNFLBWBLEMHG-NQIIRXRSSA-N 0 0 457.530 4.777 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c1 ZINC001436048520 1065142523 /nfs/dbraw/zinc/14/25/23/1065142523.db2.gz PMHIFCLKGDPONU-BVYCBKJFSA-N 0 0 455.396 4.590 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC001360307164 1065142627 /nfs/dbraw/zinc/14/26/27/1065142627.db2.gz LFFOYEGBAGAGCN-LJQANCHMSA-N 0 0 450.560 4.863 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1ccc(Cl)c2ncccc12 ZINC001436049036 1065143225 /nfs/dbraw/zinc/14/32/25/1065143225.db2.gz SWPVDGJQKWQBCD-UHFFFAOYSA-N 0 0 456.731 4.504 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cnc2c(F)cccc2c1 ZINC001360308333 1065143968 /nfs/dbraw/zinc/14/39/68/1065143968.db2.gz KBQOOMDCCUHSIE-UHFFFAOYSA-N 0 0 456.445 4.878 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001436049574 1065144058 /nfs/dbraw/zinc/14/40/58/1065144058.db2.gz YWSCUWSTLYQPOB-DZGCQCFKSA-N 0 0 452.139 4.623 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1 ZINC001436051653 1065145302 /nfs/dbraw/zinc/14/53/02/1065145302.db2.gz JCADCWQPNNSCPK-NRFANRHFSA-N 0 0 455.338 4.612 20 0 JJADRN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001436050983 1065145420 /nfs/dbraw/zinc/14/54/20/1065145420.db2.gz QRHLYDRMGINMGE-QGHHPUGFSA-N 0 0 450.766 4.530 20 0 JJADRN O=C([C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001436052749 1065146479 /nfs/dbraw/zinc/14/64/79/1065146479.db2.gz IVHAMXBKVOFCRX-LJHODMEESA-N 0 0 451.375 4.784 20 0 JJADRN Cc1c(CNC(=O)CCOc2ccccc2I)oc2ccc(F)cc12 ZINC001360310439 1065147149 /nfs/dbraw/zinc/14/71/49/1065147149.db2.gz GUDQBBFZPCLLHE-UHFFFAOYSA-N 0 0 453.251 4.570 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC001436053621 1065147387 /nfs/dbraw/zinc/14/73/87/1065147387.db2.gz OBRQLEZNCHMOKR-SFHVURJKSA-N 0 0 452.986 4.961 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(Cl)c3ccncc23)c1 ZINC001436054308 1065147453 /nfs/dbraw/zinc/14/74/53/1065147453.db2.gz RNCJIDGUMVMTQZ-UHFFFAOYSA-N 0 0 453.745 4.697 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360310786 1065147761 /nfs/dbraw/zinc/14/77/61/1065147761.db2.gz JLGWJDVRVMWKAB-LJQANCHMSA-N 0 0 459.384 4.895 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 ZINC001360311037 1065147797 /nfs/dbraw/zinc/14/77/97/1065147797.db2.gz NMBZKRTUJYTWQT-UHFFFAOYSA-N 0 0 453.539 4.825 20 0 JJADRN COc1ccc(-c2cc(C(=O)OCc3cc(Cl)ccc3OCC3CC3)nn2C)cc1OC ZINC001436056277 1065148621 /nfs/dbraw/zinc/14/86/21/1065148621.db2.gz PKISEEWOVQWQNI-UHFFFAOYSA-N 0 0 456.926 4.904 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC001436055797 1065148788 /nfs/dbraw/zinc/14/87/88/1065148788.db2.gz OIWZMTJPOLFVQL-ZDUSSCGKSA-N 0 0 458.219 4.519 20 0 JJADRN CC[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccc(Cl)s1 ZINC001360314647 1065149338 /nfs/dbraw/zinc/14/93/38/1065149338.db2.gz PEFDXHNNBRSUKG-LBPRGKRZSA-N 0 0 457.777 4.547 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC001436056429 1065149277 /nfs/dbraw/zinc/14/92/77/1065149277.db2.gz NHPABOYWZRXBAG-NRFANRHFSA-N 0 0 453.336 4.773 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC[C@@](F)(c4ccccc4C)C3)cc2)cc1 ZINC001436056959 1065149837 /nfs/dbraw/zinc/14/98/37/1065149837.db2.gz WEEBDLMWKKHQEY-SANMLTNESA-N 0 0 451.563 4.988 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2oc3ccc(F)cc3c2C)c1 ZINC001360315027 1065149856 /nfs/dbraw/zinc/14/98/56/1065149856.db2.gz ZVTFFRBEXWEZRW-FQEVSTJZSA-N 0 0 456.514 4.641 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)CO1 ZINC001360317005 1065149911 /nfs/dbraw/zinc/14/99/11/1065149911.db2.gz CZXUFDYHHKQGFG-OIISXLGYSA-N 0 0 450.881 4.884 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)CO1 ZINC001360317004 1065149931 /nfs/dbraw/zinc/14/99/31/1065149931.db2.gz CZXUFDYHHKQGFG-DJIMGWMZSA-N 0 0 450.881 4.884 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360316947 1065149943 /nfs/dbraw/zinc/14/99/43/1065149943.db2.gz BWFHTEMKBLJQLK-KXBFYZLASA-N 0 0 455.860 4.808 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 ZINC001436058214 1065150504 /nfs/dbraw/zinc/15/05/04/1065150504.db2.gz XEWLXZVISYCWKK-VWLOTQADSA-N 0 0 458.599 4.659 20 0 JJADRN CC[C@H]1[C@@H](C(=O)NCCCc2ccc(Br)cc2F)CCN1C(=O)OC(C)(C)C ZINC001360317019 1065150503 /nfs/dbraw/zinc/15/05/03/1065150503.db2.gz DGACEROILXNFAU-WMZOPIPTSA-N 0 0 457.384 4.673 20 0 JJADRN CCN(C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317464 1065150553 /nfs/dbraw/zinc/15/05/53/1065150553.db2.gz UKLFTRMBJCYNCH-IVZQSRNASA-N 0 0 453.505 4.506 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC001360317814 1065151092 /nfs/dbraw/zinc/15/10/92/1065151092.db2.gz IHYVSIYOTKSJEE-KRWDZBQOSA-N 0 0 455.725 4.677 20 0 JJADRN Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)nn1-c1ccc(F)cc1 ZINC001360317902 1065151163 /nfs/dbraw/zinc/15/11/63/1065151163.db2.gz CGHYXGPEYPEZMH-UHFFFAOYSA-N 0 0 454.246 4.614 20 0 JJADRN CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCN(C(=O)c2ccccc2)CC1 ZINC001436060500 1065151932 /nfs/dbraw/zinc/15/19/32/1065151932.db2.gz NOYQUBZMBBFTJK-PZJWPPBQSA-N 0 0 455.396 4.754 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccccc1C ZINC001360317938 1065152029 /nfs/dbraw/zinc/15/20/29/1065152029.db2.gz FDRISJKMROYXTR-HHHXNRCGSA-N 0 0 452.595 4.764 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC001436060181 1065152062 /nfs/dbraw/zinc/15/20/62/1065152062.db2.gz CJJALYYRWLENFC-HXUWFJFHSA-N 0 0 451.972 4.830 20 0 JJADRN Cc1sc(NC(=O)c2cncc(Br)c2C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001436060518 1065152112 /nfs/dbraw/zinc/15/21/12/1065152112.db2.gz NYUYJPUEIASAJJ-UHFFFAOYSA-N 0 0 457.353 4.721 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001360319394 1065153433 /nfs/dbraw/zinc/15/34/33/1065153433.db2.gz HJYPETYGQPITQQ-MWTRTKDXSA-N 0 0 490.699 4.775 20 0 JJADRN Cc1cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)n(-c2cc(C)ccn2)n1 ZINC001436061888 1065153425 /nfs/dbraw/zinc/15/34/25/1065153425.db2.gz LGXGOHYBFTUAPF-UHFFFAOYSA-N 0 0 453.546 4.509 20 0 JJADRN Cc1c(C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nnn1-c1ccc(F)c(F)c1 ZINC001436062594 1065153480 /nfs/dbraw/zinc/15/34/80/1065153480.db2.gz NJDZWUNKKZLOFY-ZDUSSCGKSA-N 0 0 458.465 4.659 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC[C@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360319376 1065153527 /nfs/dbraw/zinc/15/35/27/1065153527.db2.gz HCYCCULSJNGMHY-IMIIHFCZSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001360319393 1065153581 /nfs/dbraw/zinc/15/35/81/1065153581.db2.gz HJYPETYGQPITQQ-HJPURHCSSA-N 0 0 490.699 4.775 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccco3)n2Cc2ccccc2Br)CCOC1 ZINC001360319464 1065154017 /nfs/dbraw/zinc/15/40/17/1065154017.db2.gz IICYGJDWRQGORP-HXOBKFHXSA-N 0 0 489.414 4.920 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@@H]2CSCCS2)CCOC1 ZINC001360319469 1065154027 /nfs/dbraw/zinc/15/40/27/1065154027.db2.gz IJFYKULIIGMLEA-PMAPCBKXSA-N 0 0 480.675 4.504 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001436063308 1065154035 /nfs/dbraw/zinc/15/40/35/1065154035.db2.gz UIJDYYLDNFWXQA-JOCHJYFZSA-N 0 0 453.970 4.978 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H](C)Oc2cccc(F)c2)CCOC1 ZINC001360319779 1065154960 /nfs/dbraw/zinc/15/49/60/1065154960.db2.gz MWFQPQIXMVZYEO-OSWQYVSFSA-N 0 0 472.561 4.716 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ncc(Br)cc1Br ZINC001436063938 1065155056 /nfs/dbraw/zinc/15/50/56/1065155056.db2.gz GYPMCMGGCJZIRK-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC001436066264 1065156413 /nfs/dbraw/zinc/15/64/13/1065156413.db2.gz UFUYINFXRPGMRV-LLJZQGTPSA-N 0 0 453.739 4.638 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H]3CCc4ccccc43)n2CCCC(F)(F)F)CCOC1 ZINC001360320557 1065157178 /nfs/dbraw/zinc/15/71/78/1065157178.db2.gz CCGBTAWWSACPAZ-DENIHFKCSA-N 0 0 452.521 4.785 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC001436067000 1065157286 /nfs/dbraw/zinc/15/72/86/1065157286.db2.gz VPWQJOLXRXTKSB-HSZRJFAPSA-N 0 0 451.544 4.971 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SC(F)(F)F)cc1C(F)(F)F ZINC001436068665 1065157454 /nfs/dbraw/zinc/15/74/54/1065157454.db2.gz RIZHDAFQNFEVFN-UHFFFAOYSA-N 0 0 457.417 4.651 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@@H]2CCO[C@H](C)C2)CCOC1 ZINC001360320864 1065157819 /nfs/dbraw/zinc/15/78/19/1065157819.db2.gz GXMKHHGVCKTSNH-QJMRKGMQSA-N 0 0 496.574 4.578 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CC[C@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360320862 1065157886 /nfs/dbraw/zinc/15/78/86/1065157886.db2.gz GXMKHHGVCKTSNH-DPOKWSEZSA-N 0 0 496.574 4.578 20 0 JJADRN O=C(NCc1ccc(Cl)cc1I)c1cccc(-c2cscn2)c1 ZINC001436069292 1065158033 /nfs/dbraw/zinc/15/80/33/1065158033.db2.gz BBDOGOKBDLOASF-UHFFFAOYSA-N 0 0 454.720 4.998 20 0 JJADRN Cc1cccc(OC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)c1Cl ZINC001436068793 1065158042 /nfs/dbraw/zinc/15/80/42/1065158042.db2.gz WAFDDWKBYPVDAQ-HNNXBMFYSA-N 0 0 459.789 4.610 20 0 JJADRN O=C(CO[C@H]1CCCc2ccccc21)NCc1ccc(Cl)cc1I ZINC001436069354 1065158087 /nfs/dbraw/zinc/15/80/87/1065158087.db2.gz CVEYRROKISGHBJ-SFHVURJKSA-N 0 0 455.723 4.655 20 0 JJADRN O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccc(Cl)cc1I ZINC001436069353 1065158216 /nfs/dbraw/zinc/15/82/16/1065158216.db2.gz CVEYRROKISGHBJ-GOSISDBHSA-N 0 0 455.723 4.655 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(F)(F)F)n2[C@H]2C[C@H](c3ccccc3F)C2)CCOC1 ZINC001360321023 1065158575 /nfs/dbraw/zinc/15/85/75/1065158575.db2.gz IVAYLXOPAGFVRK-QYWGDWMGSA-N 0 0 456.484 4.575 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Br)cs3)n2CC2CCCC2)CCOC1 ZINC001360321352 1065158595 /nfs/dbraw/zinc/15/85/95/1065158595.db2.gz LCCNQCOVLRTMON-NRFANRHFSA-N 0 0 483.476 4.969 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2ccc3sccc3c2)CCOC1 ZINC001360322267 1065159205 /nfs/dbraw/zinc/15/92/05/1065159205.db2.gz TVJRTQRXMWLRSJ-HXUWFJFHSA-N 0 0 454.518 4.580 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C3CCCCC3)n2Cc2nc(C(F)(F)F)cs2)CCOC1 ZINC001360321751 1065159259 /nfs/dbraw/zinc/15/92/59/1065159259.db2.gz NZGORDQFMQURSD-HXUWFJFHSA-N 0 0 473.565 4.611 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCOC2CCCCCC2)CCOC1 ZINC001360322154 1065159326 /nfs/dbraw/zinc/15/93/26/1065159326.db2.gz RNBJUZYULJKPLH-AREMUKBSSA-N 0 0 492.611 4.973 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CCOC1 ZINC001360322341 1065159356 /nfs/dbraw/zinc/15/93/56/1065159356.db2.gz VBBXLWKIWZXVPF-MHZLTWQESA-N 0 0 495.624 4.695 20 0 JJADRN Cc1c(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)nnn1CCOc1ccc(F)cc1 ZINC001436070529 1065159516 /nfs/dbraw/zinc/15/95/16/1065159516.db2.gz BCUUGJHNOLFGLT-LJQANCHMSA-N 0 0 450.436 4.537 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccco3)n2CCc2ccc(Br)s2)CCOC1 ZINC001360323440 1065160619 /nfs/dbraw/zinc/16/06/19/1065160619.db2.gz DAIXPUUXYBMVNK-OAQYLSRUSA-N 0 0 495.443 4.615 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001436072207 1065160974 /nfs/dbraw/zinc/16/09/74/1065160974.db2.gz FNLGHWARYCEUIH-HMPQKADESA-N 0 0 451.564 4.517 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 ZINC001360323521 1065161438 /nfs/dbraw/zinc/16/14/38/1065161438.db2.gz BETXBDBTVBVRJW-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2CC2CCCC2)CCOC1 ZINC001360324087 1065162306 /nfs/dbraw/zinc/16/23/06/1065162306.db2.gz LNYFQIBMIWSOMC-DEOSSOPVSA-N 0 0 464.557 4.747 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2CC2CCCC2)CCOC1 ZINC001360324088 1065162307 /nfs/dbraw/zinc/16/23/07/1065162307.db2.gz LNYFQIBMIWSOMC-XMMPIXPASA-N 0 0 464.557 4.747 20 0 JJADRN Cc1nc(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)sc1Cc1ccc(F)cc1F ZINC001436073774 1065162358 /nfs/dbraw/zinc/16/23/58/1065162358.db2.gz NEFYGBFIGPGFBO-UHFFFAOYSA-N 0 0 457.502 4.718 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC2(C)CCOCC2)CCOC1 ZINC001360324488 1065163707 /nfs/dbraw/zinc/16/37/07/1065163707.db2.gz PCDUKSDSHBVNDF-XMMPIXPASA-N 0 0 481.012 4.564 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001436075227 1065163855 /nfs/dbraw/zinc/16/38/55/1065163855.db2.gz HLQCYHYILMNSMM-NRFANRHFSA-N 0 0 451.369 4.744 20 0 JJADRN O=C(NCCCNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc(F)cc1 ZINC001360324620 1065164297 /nfs/dbraw/zinc/16/42/97/1065164297.db2.gz XYZUDIKODYDRMU-QFIPXVFZSA-N 0 0 458.505 4.874 20 0 JJADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001436076760 1065164451 /nfs/dbraw/zinc/16/44/51/1065164451.db2.gz WYDZMBXIKWXZTI-UHFFFAOYSA-N 0 0 453.753 4.610 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CC2(O)CCCCCC2)CCOC1 ZINC001360324826 1065165672 /nfs/dbraw/zinc/16/56/72/1065165672.db2.gz SIZQLQUEWGNWGG-VWLOTQADSA-N 0 0 495.039 4.833 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)O[C@]4(CCCOC4)C3)CCCCC2)c(Br)c1 ZINC001436078319 1065165911 /nfs/dbraw/zinc/16/59/11/1065165911.db2.gz OZSXBVSLVILKMV-PGRDOPGGSA-N 0 0 450.417 4.756 20 0 JJADRN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001436078343 1065165961 /nfs/dbraw/zinc/16/59/61/1065165961.db2.gz PIVILOZQBBVBOF-OAQYLSRUSA-N 0 0 455.327 4.776 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)OCc2cn(-c3ccc(F)c(C)c3)nn2)c1C(F)(F)F ZINC001436077893 1065165991 /nfs/dbraw/zinc/16/59/91/1065165991.db2.gz IBZGXMQKDIFGFM-UHFFFAOYSA-N 0 0 459.403 4.585 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2C[C@H]2C)CCOC1 ZINC001360325170 1065166237 /nfs/dbraw/zinc/16/62/37/1065166237.db2.gz ZPTYZBSEUFNIRR-TVTNDZMWSA-N 0 0 452.521 4.630 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccco3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001360325074 1065166296 /nfs/dbraw/zinc/16/62/96/1065166296.db2.gz XRSFSZKWUHFRKQ-DVECYGJZSA-N 0 0 456.612 4.729 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C1CCCC1 ZINC001436079053 1065166455 /nfs/dbraw/zinc/16/64/55/1065166455.db2.gz TYBSUUQQJXQQNL-HXUWFJFHSA-N 0 0 451.007 4.588 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)C3)n2CCc2ccccc2C(F)(F)F)CCOC1 ZINC001360325461 1065166904 /nfs/dbraw/zinc/16/69/04/1065166904.db2.gz GBRIXNWKIZQAPA-MCSCQSGASA-N 0 0 484.538 4.765 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1)c1ccccc1 ZINC001436080574 1065167034 /nfs/dbraw/zinc/16/70/34/1065167034.db2.gz BPBWOLAIFKYOHV-INIZCTEOSA-N 0 0 459.493 4.954 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001436080680 1065167128 /nfs/dbraw/zinc/16/71/28/1065167128.db2.gz CTCSZTMWOBYLDV-CYBMUJFWSA-N 0 0 455.274 4.593 20 0 JJADRN O=C(N[C@@H](CCC(=O)N1CC[C@H](c2cccc(F)c2)C1)C(F)(F)F)OCc1ccccc1 ZINC001436081689 1065167604 /nfs/dbraw/zinc/16/76/04/1065167604.db2.gz OQGKXKITACXYAZ-ICSRJNTNSA-N 0 0 452.448 4.779 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1csc(C(F)(F)F)n1 ZINC001436081915 1065168236 /nfs/dbraw/zinc/16/82/36/1065168236.db2.gz FVOBUPMBEJGVER-LLVKDONJSA-N 0 0 453.529 4.570 20 0 JJADRN C[C@H](c1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1)C(F)(F)F ZINC001436082148 1065168400 /nfs/dbraw/zinc/16/84/00/1065168400.db2.gz HJVPHURZCZLNGN-PXAZEXFGSA-N 0 0 455.274 4.650 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@@](C)(O)C2CCCCC2)CCOC1 ZINC001360326195 1065168654 /nfs/dbraw/zinc/16/86/54/1065168654.db2.gz UCDSVEHUYQUETC-CLJLJLNGSA-N 0 0 462.679 4.667 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCCC(C)(C)C)CCOC1 ZINC001360326053 1065168725 /nfs/dbraw/zinc/16/87/25/1065168725.db2.gz QUDQDDLYQJFWLB-JOCHJYFZSA-N 0 0 486.583 4.534 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1-c1ccc(C)cc1 ZINC001360326595 1065169293 /nfs/dbraw/zinc/16/92/93/1065169293.db2.gz DDHGBNVGPUYVFC-GOSISDBHSA-N 0 0 454.521 4.743 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)[C@@H]1C ZINC001436085092 1065170066 /nfs/dbraw/zinc/17/00/66/1065170066.db2.gz DQBMNMYHGPOAJH-SJBKTWHCSA-N 0 0 455.046 4.859 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)[C@H]1C ZINC001436085050 1065170239 /nfs/dbraw/zinc/17/02/39/1065170239.db2.gz CATSMOMWJUQYHP-HNAWSFBYSA-N 0 0 451.405 4.739 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)cc(C(F)(F)F)c1 ZINC001360327768 1065170618 /nfs/dbraw/zinc/17/06/18/1065170618.db2.gz PIFRFTPTFVUURO-QGZVFWFLSA-N 0 0 453.436 4.730 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC001436085772 1065170921 /nfs/dbraw/zinc/17/09/21/1065170921.db2.gz BHZXTAZHEURKNQ-IBGZPJMESA-N 0 0 453.848 4.695 20 0 JJADRN COc1cccc(C2(NC(=O)CSc3cccc(Br)c3)CCOCC2)c1F ZINC001436086694 1065171531 /nfs/dbraw/zinc/17/15/31/1065171531.db2.gz IHKYMQWHGSAYDG-UHFFFAOYSA-N 0 0 454.361 4.511 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2CCc2csc(C(C)C)n2)CCOC1 ZINC001360329409 1065171878 /nfs/dbraw/zinc/17/18/78/1065171878.db2.gz XDLQIQNOOAOHER-HXUWFJFHSA-N 0 0 475.581 4.530 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(Br)c2I)[C@H]1C ZINC001436087860 1065172116 /nfs/dbraw/zinc/17/21/16/1065172116.db2.gz UOHHCMGLWOPONZ-WOPDTQHZSA-N 0 0 450.158 4.856 20 0 JJADRN CCCN(C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001436087870 1065172179 /nfs/dbraw/zinc/17/21/79/1065172179.db2.gz QPCJWNDMZFKRLA-IBGZPJMESA-N 0 0 454.567 4.595 20 0 JJADRN CCCN(C(=O)COc1ccc(F)cc1Br)[C@H](C)C(=O)Nc1ccccc1C ZINC001436087995 1065172193 /nfs/dbraw/zinc/17/21/93/1065172193.db2.gz NPVMDXCQUWYOTK-OAHLLOKOSA-N 0 0 451.336 4.541 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cccc(Br)c2I)[C@@H]1C ZINC001436087855 1065172214 /nfs/dbraw/zinc/17/22/14/1065172214.db2.gz UOHHCMGLWOPONZ-IJLUTSLNSA-N 0 0 450.158 4.856 20 0 JJADRN Cc1cc(CNC(=O)c2cnn(-c3ccccc3)c2C(C)C)ccc1I ZINC001436088868 1065172886 /nfs/dbraw/zinc/17/28/86/1065172886.db2.gz ANRUNXKRFPAYCN-UHFFFAOYSA-N 0 0 459.331 4.839 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CCOC1 ZINC001360329808 1065173025 /nfs/dbraw/zinc/17/30/25/1065173025.db2.gz DOEAVJRTUXTFJK-CAKYRVLISA-N 0 0 488.648 4.934 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CCOC1 ZINC001360329809 1065173045 /nfs/dbraw/zinc/17/30/45/1065173045.db2.gz DOEAVJRTUXTFJK-LSCGWGKXSA-N 0 0 488.648 4.934 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360329711 1065173059 /nfs/dbraw/zinc/17/30/59/1065173059.db2.gz CCNZAAKIPSYWSQ-RRPNLBNLSA-N 0 0 488.648 4.814 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360329668 1065173088 /nfs/dbraw/zinc/17/30/88/1065173088.db2.gz BKYWWZPHQDXXNU-RPWUZVMVSA-N 0 0 495.089 4.773 20 0 JJADRN O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccc(COc2cccc(Br)c2)o1 ZINC001436090423 1065173424 /nfs/dbraw/zinc/17/34/24/1065173424.db2.gz JKLLNROCKXPMDR-UHFFFAOYSA-N 0 0 457.259 4.798 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C(F)(F)F)cn1 ZINC001436089805 1065173507 /nfs/dbraw/zinc/17/35/07/1065173507.db2.gz WAQJSZXZJWOWFC-HXUWFJFHSA-N 0 0 459.859 4.960 20 0 JJADRN CCO[C@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 ZINC001436090410 1065173522 /nfs/dbraw/zinc/17/35/22/1065173522.db2.gz JWXKRKYJPUHLEI-HXUWFJFHSA-N 0 0 451.348 4.898 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@]2(O)CCCC2(C)C)CCOC1 ZINC001360330213 1065173711 /nfs/dbraw/zinc/17/37/11/1065173711.db2.gz INPOJDLENHJYQK-KAYWLYCHSA-N 0 0 488.648 4.814 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001360330295 1065174345 /nfs/dbraw/zinc/17/43/45/1065174345.db2.gz IMNQPECJSHUNGN-HSZRJFAPSA-N 0 0 454.615 4.621 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(Cc3ccco3)C(C)C)n2CCc2cccc(F)c2)CCOC1 ZINC001360330288 1065174416 /nfs/dbraw/zinc/17/44/16/1065174416.db2.gz JAZKKPGGCDTNDD-VWLOTQADSA-N 0 0 456.562 4.709 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1C(=O)N1CCCCC1 ZINC001436092697 1065174798 /nfs/dbraw/zinc/17/47/98/1065174798.db2.gz PDBLTUBLJRUKGP-RLWLMLJZSA-N 0 0 455.599 4.597 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cc(Br)cn(C2CC2)c1=O ZINC001436092293 1065174863 /nfs/dbraw/zinc/17/48/63/1065174863.db2.gz IMXNKWOPEDTJNR-UHFFFAOYSA-N 0 0 450.745 4.975 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001360330961 1065174860 /nfs/dbraw/zinc/17/48/60/1065174860.db2.gz TUJPHCGCHJMPKW-ZDUSSCGKSA-N 0 0 456.814 4.536 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001436092888 1065175502 /nfs/dbraw/zinc/17/55/02/1065175502.db2.gz PQHXEXCZMOGRMQ-SJCJKPOMSA-N 0 0 451.436 4.508 20 0 JJADRN O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC001436093211 1065175590 /nfs/dbraw/zinc/17/55/90/1065175590.db2.gz VAGKJRPEASUKIJ-UHFFFAOYSA-N 0 0 451.939 4.941 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1I ZINC001436094228 1065176443 /nfs/dbraw/zinc/17/64/43/1065176443.db2.gz WLAHILZOGYLUEX-SECBINFHSA-N 0 0 452.123 4.866 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360331717 1065176842 /nfs/dbraw/zinc/17/68/42/1065176842.db2.gz YYXHRARPYANXEN-IMSXRSKXSA-N 0 0 463.022 4.704 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC001360332294 1065177662 /nfs/dbraw/zinc/17/76/62/1065177662.db2.gz RCRXBDIPRYQASP-SSEXGKCCSA-N 0 0 450.532 4.544 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1)c1nc2ccccc2[nH]1 ZINC001436098111 1065178246 /nfs/dbraw/zinc/17/82/46/1065178246.db2.gz KYBNMQKBILACTN-KRWDZBQOSA-N 0 0 459.575 4.663 20 0 JJADRN CCc1nc(C)c(NC(=O)c2cccc(Br)c2I)s1 ZINC001436098316 1065178354 /nfs/dbraw/zinc/17/83/54/1065178354.db2.gz RDLBMIUUXZIZCI-UHFFFAOYSA-N 0 0 451.127 4.633 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOC1 ZINC001360333331 1065178845 /nfs/dbraw/zinc/17/88/45/1065178845.db2.gz HDVCQORSKYSDMG-KGYLXKDPSA-N 0 0 488.595 4.691 20 0 JJADRN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 ZINC001436099087 1065179260 /nfs/dbraw/zinc/17/92/60/1065179260.db2.gz FYCNXBXSRIKBRO-FQEVSTJZSA-N 0 0 454.313 4.740 20 0 JJADRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)c3c(Cl)cc(Cl)cc3Cl)c2)n1 ZINC001436101000 1065179731 /nfs/dbraw/zinc/17/97/31/1065179731.db2.gz UBRDHGPHTUGYEY-UHFFFAOYSA-N 0 0 453.713 4.539 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360334714 1065180027 /nfs/dbraw/zinc/18/00/27/1065180027.db2.gz RWIFVZUOFMFPKI-VPMQLGLMSA-N 0 0 476.609 4.943 20 0 JJADRN Cc1c(Br)ccc(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c1F ZINC001436101161 1065180573 /nfs/dbraw/zinc/18/05/73/1065180573.db2.gz ZHRGYGDVXPPWJR-LLVKDONJSA-N 0 0 456.109 4.724 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN(C)c2ccccc2F)CCOC1 ZINC001360335328 1065180723 /nfs/dbraw/zinc/18/07/23/1065180723.db2.gz CKPZSMCTJPRIEV-ZBLYBZFDSA-N 0 0 487.664 4.857 20 0 JJADRN COC(=O)Nc1cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc(C(F)(F)F)c1 ZINC001436103025 1065181393 /nfs/dbraw/zinc/18/13/93/1065181393.db2.gz QAGLPFMZIZPGDC-UHFFFAOYSA-N 0 0 458.440 4.559 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360335469 1065182119 /nfs/dbraw/zinc/18/21/19/1065182119.db2.gz FPDJHQZESODPHT-DRSNIGMVSA-N 0 0 453.052 4.759 20 0 JJADRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2sc(Cl)nc2C(F)(F)F)nc1 ZINC001436104454 1065182280 /nfs/dbraw/zinc/18/22/80/1065182280.db2.gz 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CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCOC2CCCCC2)CCOC1 ZINC001360336257 1065184861 /nfs/dbraw/zinc/18/48/61/1065184861.db2.gz PLORFDOGFNBPTC-QFQXNSOFSA-N 0 0 462.679 4.931 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)ccc2Br)cccc1NC(=O)N(C)C ZINC001436109393 1065184864 /nfs/dbraw/zinc/18/48/64/1065184864.db2.gz IPYWSMMKANJWMX-UHFFFAOYSA-N 0 0 455.150 4.866 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2cccc(N3CCC3=O)c2)s1 ZINC001436109305 1065184889 /nfs/dbraw/zinc/18/48/89/1065184889.db2.gz HXCRSYVQDBKLAW-UHFFFAOYSA-N 0 0 458.337 4.570 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001436110152 1065185562 /nfs/dbraw/zinc/18/55/62/1065185562.db2.gz LOEOPHIYKGTUBM-HXOBKFHXSA-N 0 0 459.384 4.545 20 0 JJADRN Cc1c(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)cccc1NC(=O)N(C)C ZINC001436110748 1065185580 /nfs/dbraw/zinc/18/55/80/1065185580.db2.gz OEIYEPMPRCUUIN-OPYAIIAOSA-N 0 0 458.603 4.843 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1COc2ccc(Br)cc21 ZINC001436111401 1065186251 /nfs/dbraw/zinc/18/62/51/1065186251.db2.gz QJNRNDJOASTMMA-UKRRQHHQSA-N 0 0 456.167 4.627 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2c(F)cccc2Cl)CCOC1 ZINC001360336798 1065186184 /nfs/dbraw/zinc/18/61/84/1065186184.db2.gz YCKPXUDVQCHPTJ-OAQYLSRUSA-N 0 0 490.929 4.938 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC1Cc2ccccc2C1)c1cccc(Br)c1 ZINC001360337028 1065186302 /nfs/dbraw/zinc/18/63/02/1065186302.db2.gz DIJXKJHEJLIYSI-FQEVSTJZSA-N 0 0 459.384 4.546 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)CC[C@H]1c1ccc(C)o1 ZINC001436111868 1065186861 /nfs/dbraw/zinc/18/68/61/1065186861.db2.gz QQKNLRFAPKURHP-DLBZAZTESA-N 0 0 458.515 4.855 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)C1CC1 ZINC001360337611 1065186877 /nfs/dbraw/zinc/18/68/77/1065186877.db2.gz KQAFBDBAZWCRFS-RUZDIDTESA-N 0 0 454.636 4.914 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cc(Cl)cc(Cl)c1 ZINC001360337550 1065186925 /nfs/dbraw/zinc/18/69/25/1065186925.db2.gz JSKXJLZIXMMSRY-OAHLLOKOSA-N 0 0 452.407 4.908 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(F)c3)c2)sc1C ZINC001436112743 1065187459 /nfs/dbraw/zinc/18/74/59/1065187459.db2.gz XHCQONMSOGYZNM-HXUWFJFHSA-N 0 0 454.523 4.934 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001436113792 1065188958 /nfs/dbraw/zinc/18/89/58/1065188958.db2.gz QUWLMQZIBVEOOT-HQJQHLMTSA-N 0 0 451.148 4.723 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(F)F)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360340501 1065189521 /nfs/dbraw/zinc/18/95/21/1065189521.db2.gz DGJSKJWTBXRYMG-VLIAUNLRSA-N 0 0 494.530 4.929 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCOc2ccccc2Cl)CCOC1 ZINC001360340683 1065190216 /nfs/dbraw/zinc/19/02/16/1065190216.db2.gz FDRFBCLHYOZAFI-CJFMBICVSA-N 0 0 477.049 4.924 20 0 JJADRN CN(Cc1ncnn1CC(F)F)C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001436116376 1065191034 /nfs/dbraw/zinc/19/10/34/1065191034.db2.gz RVXULIWGRZWLQB-LJQANCHMSA-N 0 0 454.905 4.828 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)F)C3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001360341566 1065191518 /nfs/dbraw/zinc/19/15/18/1065191518.db2.gz RRIOWDGOGQJGKE-AVRWGWEMSA-N 0 0 480.575 4.917 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCC(C)(C)C3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360341676 1065191588 /nfs/dbraw/zinc/19/15/88/1065191588.db2.gz UVPUVFYVIZAOOK-NRFANRHFSA-N 0 0 483.476 4.817 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC2CCCCC2)CCOC1 ZINC001360341824 1065191662 /nfs/dbraw/zinc/19/16/62/1065191662.db2.gz WWINJQZSINMTKB-WMZHIEFXSA-N 0 0 488.595 4.837 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC2CCCCC2)CCOC1 ZINC001360341825 1065192396 /nfs/dbraw/zinc/19/23/96/1065192396.db2.gz WWINJQZSINMTKB-XXBNENTESA-N 0 0 488.595 4.837 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001436119347 1065192962 /nfs/dbraw/zinc/19/29/62/1065192962.db2.gz FJMZXOXVUIUFMS-UHFFFAOYSA-N 0 0 456.612 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC001436119722 1065192995 /nfs/dbraw/zinc/19/29/95/1065192995.db2.gz IGXAZKNKLVKVAQ-UHFFFAOYSA-N 0 0 456.505 4.936 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCCCC3)n2Cc2ccsc2Br)CCOC1 ZINC001360343290 1065193013 /nfs/dbraw/zinc/19/30/13/1065193013.db2.gz JLHBQMLFHRYJGV-HXUWFJFHSA-N 0 0 469.449 4.571 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCC3(C)C)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360344121 1065193584 /nfs/dbraw/zinc/19/35/84/1065193584.db2.gz WOENPTIGFQDDLF-FQEVSTJZSA-N 0 0 458.550 4.826 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360345201 1065194185 /nfs/dbraw/zinc/19/41/85/1065194185.db2.gz CSCKVPWLWLFGAG-NRFANRHFSA-N 0 0 483.476 4.962 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3Br)cc2)C[C@H](C)O1 ZINC001436122432 1065196343 /nfs/dbraw/zinc/19/63/43/1065196343.db2.gz AZOCCXKSOHAXKF-IYBDPMFKSA-N 0 0 455.356 4.501 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1=O ZINC001436122856 1065197001 /nfs/dbraw/zinc/19/70/01/1065197001.db2.gz BLTNEMMBZHJUFK-JKSUJKDBSA-N 0 0 452.505 4.870 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)C[C@H](C)O1 ZINC001436123377 1065197114 /nfs/dbraw/zinc/19/71/14/1065197114.db2.gz HDXYZUHZIQQLDS-YYDVJCTNSA-N 0 0 453.583 4.580 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC001436123350 1065197124 /nfs/dbraw/zinc/19/71/24/1065197124.db2.gz GRFVXBIQWCTPFV-JTQLQIEISA-N 0 0 454.246 4.673 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)OCc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001436123535 1065197674 /nfs/dbraw/zinc/19/76/74/1065197674.db2.gz IIFMSUUZZBBAHO-UHFFFAOYSA-N 0 0 455.486 4.877 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2ccc(Cl)cc2)CCOC1 ZINC001360351079 1065197832 /nfs/dbraw/zinc/19/78/32/1065197832.db2.gz APWMIMHSLYBURS-FPDPHYFHSA-N 0 0 472.939 4.655 20 0 JJADRN CCCCOc1ccc(C(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)c(Cl)c1 ZINC001436123798 1065197800 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ISOZGRABXVQYNP-HXUWFJFHSA-N 0 0 454.542 4.591 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CCOC1 ZINC001360352942 1065200419 /nfs/dbraw/zinc/20/04/19/1065200419.db2.gz ZTJWGSJYWJXXAN-PNZHCHNOSA-N 0 0 498.659 4.888 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCC2CCCC2)CCOC1 ZINC001360352791 1065200455 /nfs/dbraw/zinc/20/04/55/1065200455.db2.gz XPXHSHLGJPJMPI-JUXOCIIHSA-N 0 0 458.569 4.924 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCC2CCCC2)CCOC1 ZINC001360352792 1065200536 /nfs/dbraw/zinc/20/05/36/1065200536.db2.gz XPXHSHLGJPJMPI-SFGWALBWSA-N 0 0 458.569 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCc2cc(F)c(Cl)cc2F)(c2ccccc2)C1 ZINC001436126682 1065200671 /nfs/dbraw/zinc/20/06/71/1065200671.db2.gz VYLRSLVVPMFXMZ-HSZRJFAPSA-N 0 0 450.913 4.813 20 0 JJADRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1sc2ccc(Br)cc2c1C ZINC001360353846 1065201072 /nfs/dbraw/zinc/20/10/72/1065201072.db2.gz WXHDLKJMAAVAQZ-ZDUSSCGKSA-N 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CCc1c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cnn1-c1ccccc1C ZINC001436135889 1065207113 /nfs/dbraw/zinc/20/71/13/1065207113.db2.gz BQACOTIYMMPJGJ-UHFFFAOYSA-N 0 0 450.340 4.944 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC001436136204 1065207575 /nfs/dbraw/zinc/20/75/75/1065207575.db2.gz CRKUOQBSHFVOKT-UHFFFAOYSA-N 0 0 457.259 4.532 20 0 JJADRN CC(C)C[C@@](C)(NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(Br)c1 ZINC001436136824 1065207661 /nfs/dbraw/zinc/20/76/61/1065207661.db2.gz GSPAUHXFJLYJGU-YADARESESA-N 0 0 457.412 4.989 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001360357090 1065207618 /nfs/dbraw/zinc/20/76/18/1065207618.db2.gz NPCGUGDTRZTRRV-RHSMWYFYSA-N 0 0 455.530 4.935 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC001360357066 1065207710 /nfs/dbraw/zinc/20/77/10/1065207710.db2.gz NCXVATZUMONWMQ-OAQYLSRUSA-N 0 0 456.587 4.566 20 0 JJADRN CCc1c(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cnn1-c1ccc(Cl)cc1 ZINC001436137321 1065208203 /nfs/dbraw/zinc/20/82/03/1065208203.db2.gz YPZQLQRTVXOBMN-UHFFFAOYSA-N 0 0 450.974 4.866 20 0 JJADRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1 ZINC001436137703 1065208789 /nfs/dbraw/zinc/20/87/89/1065208789.db2.gz ZNCJYFPLRPSMTQ-GOSISDBHSA-N 0 0 455.190 4.979 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C)[C@@H]2C)cn1 ZINC001360357573 1065208915 /nfs/dbraw/zinc/20/89/15/1065208915.db2.gz LDCIPLFTVIYIJJ-ROUUACIJSA-N 0 0 471.602 4.557 20 0 JJADRN C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC001436138407 1065209264 /nfs/dbraw/zinc/20/92/64/1065209264.db2.gz ODDFUGDONMBCHS-LBPRGKRZSA-N 0 0 450.333 4.683 20 0 JJADRN CC(C)(C)n1nc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1C1CC1 ZINC001436138918 1065209281 /nfs/dbraw/zinc/20/92/81/1065209281.db2.gz SWQRLOQRSWLXJI-UHFFFAOYSA-N 0 0 459.388 4.766 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N3CCCCC[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2c1=O ZINC001436138557 1065209348 /nfs/dbraw/zinc/20/93/48/1065209348.db2.gz QMZWINMYJRTMMO-HXUWFJFHSA-N 0 0 459.468 4.898 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001360357854 1065209299 /nfs/dbraw/zinc/20/92/99/1065209299.db2.gz OOMOFNDSUIMWIT-UHFFFAOYSA-N 0 0 466.548 4.740 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)ccn2)CC1 ZINC001360357873 1065209438 /nfs/dbraw/zinc/20/94/38/1065209438.db2.gz ZWJCQKGGZFFGGZ-IYZJKTGWSA-N 0 0 451.611 4.578 20 0 JJADRN O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC001436139634 1065209633 /nfs/dbraw/zinc/20/96/33/1065209633.db2.gz ZBKHFQKUZDNMEB-UHFFFAOYSA-N 0 0 457.246 4.836 20 0 JJADRN Cc1sc(=O)n(CC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 ZINC001436140712 1065210837 /nfs/dbraw/zinc/21/08/37/1065210837.db2.gz LFDXBXJQMZQYOZ-UHFFFAOYSA-N 0 0 450.482 4.835 20 0 JJADRN C[C@H](CNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)Oc1ccccc1 ZINC001360359247 1065210836 /nfs/dbraw/zinc/21/08/36/1065210836.db2.gz BJLYSMOEHFXLRP-MRXNPFEDSA-N 0 0 450.348 4.511 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1cc2cc(Br)ccc2s1 ZINC001360358935 1065211033 /nfs/dbraw/zinc/21/10/33/1065211033.db2.gz SRKNKEXUYRLAPW-UHFFFAOYSA-N 0 0 452.345 4.971 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC001360358464 1065211085 /nfs/dbraw/zinc/21/10/85/1065211085.db2.gz GUEDBRSEASYHPD-UHFFFAOYSA-N 0 0 452.364 4.711 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1)c1ccccc1 ZINC001436143431 1065211908 /nfs/dbraw/zinc/21/19/08/1065211908.db2.gz BHEDCFACEPSEEN-BXKMTCNYSA-N 0 0 452.551 4.673 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC001436143359 1065211943 /nfs/dbraw/zinc/21/19/43/1065211943.db2.gz AQCIGWMYLAFMGZ-TZIWHRDSSA-N 0 0 456.562 4.710 20 0 JJADRN C[C@@H](CC(=O)N1CC2(CCC2)c2cc(Br)ccc21)n1cc(Br)cn1 ZINC001436143334 1065211952 /nfs/dbraw/zinc/21/19/52/1065211952.db2.gz FGPWLJKMLDPZHT-LBPRGKRZSA-N 0 0 453.178 4.828 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2)c1ccc(F)cc1 ZINC001436144423 1065212365 /nfs/dbraw/zinc/21/23/65/1065212365.db2.gz GLMRDUSLQVXQMH-IBGZPJMESA-N 0 0 457.498 4.783 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)ccc1Cl ZINC001436145175 1065212482 /nfs/dbraw/zinc/21/24/82/1065212482.db2.gz RLVJHNSCESGKDX-MAUKXSAKSA-N 0 0 452.979 4.622 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)c1cc(I)ccc1F ZINC001436151316 1065212512 /nfs/dbraw/zinc/21/25/12/1065212512.db2.gz HFGZUJLNDLJKHD-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cc(-c3cccnc3)ccc2C)C1 ZINC001436144818 1065212624 /nfs/dbraw/zinc/21/26/24/1065212624.db2.gz MLSOOZJGYUIASE-KCWPFWIISA-N 0 0 459.546 4.812 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)cc1 ZINC001360360141 1065212433 /nfs/dbraw/zinc/21/24/33/1065212433.db2.gz OVCPPOKFUFVALA-NRFANRHFSA-N 0 0 455.603 4.786 20 0 JJADRN Cc1ccc(-c2ccc(C)c(NC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)c2)o1 ZINC001436146423 1065213043 /nfs/dbraw/zinc/21/30/43/1065213043.db2.gz ZGSHHBPKHGTZJB-UHFFFAOYSA-N 0 0 453.292 4.561 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCCCCn1cc(Br)cn1 ZINC001436147563 1065213642 /nfs/dbraw/zinc/21/36/42/1065213642.db2.gz JVNQNKOZUZLDKN-MDZDMXLPSA-N 0 0 457.372 4.592 20 0 JJADRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC001436148090 1065214269 /nfs/dbraw/zinc/21/42/69/1065214269.db2.gz DRIZNIUMAOWODF-ORAYPTAESA-N 0 0 454.061 4.941 20 0 JJADRN CCCc1c(C(=O)Nc2cc(OC)cc(-n3cccn3)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436148480 1065214377 /nfs/dbraw/zinc/21/43/77/1065214377.db2.gz HXLPSNZZOHUEPE-UHFFFAOYSA-N 0 0 458.566 4.964 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001360360450 1065214507 /nfs/dbraw/zinc/21/45/07/1065214507.db2.gz VDWJKCYXLVCLIJ-UHFFFAOYSA-N 0 0 480.613 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c(Cl)cc(Br)cc12 ZINC001436149416 1065214992 /nfs/dbraw/zinc/21/49/92/1065214992.db2.gz XNYLABNNCCNMKL-HNNXBMFYSA-N 0 0 454.752 4.989 20 0 JJADRN 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CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360361905 1065216635 /nfs/dbraw/zinc/21/66/35/1065216635.db2.gz DQTXWDODOQFENJ-IBGZPJMESA-N 0 0 499.059 4.975 20 0 JJADRN CC(C)OC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccsc2)CC1 ZINC001360361849 1065216686 /nfs/dbraw/zinc/21/66/86/1065216686.db2.gz BTEBRJHXGPGPQW-UHFFFAOYSA-N 0 0 488.057 4.560 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360361906 1065216761 /nfs/dbraw/zinc/21/67/61/1065216761.db2.gz DQTXWDODOQFENJ-LJQANCHMSA-N 0 0 499.059 4.975 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360362052 1065217045 /nfs/dbraw/zinc/21/70/45/1065217045.db2.gz ISCWZRYOEPWJEU-UFYCRDLUSA-N 0 0 460.594 4.766 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 ZINC001436152296 1065217177 /nfs/dbraw/zinc/21/71/77/1065217177.db2.gz PNGRBRMBRUZLTN-UHFFFAOYSA-N 0 0 457.347 4.958 20 0 JJADRN 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CCN1C(=O)C[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@@H]1c1cccc(C)c1 ZINC001436172296 1065228542 /nfs/dbraw/zinc/22/85/42/1065228542.db2.gz DOQZXZFWEGKPGP-KUHUBIRLSA-N 0 0 458.381 4.915 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001360370014 1065228815 /nfs/dbraw/zinc/22/88/15/1065228815.db2.gz BZMQOMFDIYXZLU-NVXWUHKLSA-N 0 0 481.410 4.523 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)s1 ZINC001436173229 1065229098 /nfs/dbraw/zinc/22/90/98/1065229098.db2.gz CKJDFVJFACQTPH-IKGGRYGDSA-N 0 0 452.580 4.634 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001436173608 1065229150 /nfs/dbraw/zinc/22/91/50/1065229150.db2.gz JHFYBHONVPZHRV-XMMPIXPASA-N 0 0 457.496 4.568 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOC(C)(C)C)CCO1 ZINC001360370438 1065229370 /nfs/dbraw/zinc/22/93/70/1065229370.db2.gz LATMFNZFDQUZIH-QFIPXVFZSA-N 0 0 458.647 4.688 20 0 JJADRN 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CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001360371036 1065231092 /nfs/dbraw/zinc/23/10/92/1065231092.db2.gz WZWFYADSFBRTAZ-ZWCUEREDSA-N 0 0 497.467 4.943 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cccc(C(F)(F)F)n2)CCO1 ZINC001360371054 1065231107 /nfs/dbraw/zinc/23/11/07/1065231107.db2.gz XMYRQPINZRYXOI-QGZVFWFLSA-N 0 0 495.933 4.691 20 0 JJADRN C[C@@H](OC(=O)c1cnc(Br)c(Br)c1)c1ccc(C(F)(F)F)nc1 ZINC001436178605 1065231540 /nfs/dbraw/zinc/23/15/40/1065231540.db2.gz BOOBCOSPMRJGEK-SSDOTTSWSA-N 0 0 454.040 4.938 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)COc1ccccc1OCc1ccccc1 ZINC001360371994 1065231574 /nfs/dbraw/zinc/23/15/74/1065231574.db2.gz HFNKVMWAPBNAAR-AREMUKBSSA-N 0 0 456.583 4.700 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1Cl ZINC001436179728 1065232013 /nfs/dbraw/zinc/23/20/13/1065232013.db2.gz CVQXTJDDMSQBKN-KRWDZBQOSA-N 0 0 459.999 4.534 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC001360374047 1065232049 /nfs/dbraw/zinc/23/20/49/1065232049.db2.gz LHVLYSPITVCBRU-ICSRJNTNSA-N 0 0 455.498 4.790 20 0 JJADRN Cc1cc(I)cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC001436180341 1065232637 /nfs/dbraw/zinc/23/26/37/1065232637.db2.gz ACEZTSMXTNVNSW-GFCCVEGCSA-N 0 0 451.333 4.909 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCC2(C)C)CCO1 ZINC001360374453 1065232765 /nfs/dbraw/zinc/23/27/65/1065232765.db2.gz AFTBNLIXTVMUOF-FNAHDJPLSA-N 0 0 462.679 4.653 20 0 JJADRN O=C(NCCCN1C(=O)c2ccccc2C1=O)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001436179971 1065232741 /nfs/dbraw/zinc/23/27/41/1065232741.db2.gz ONBRNGATSNWUPT-HKWRFOASSA-N 0 0 450.947 4.745 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001436180398 1065232755 /nfs/dbraw/zinc/23/27/55/1065232755.db2.gz AHSWWSQDLXCRCI-UNMCSNQZSA-N 0 0 456.428 4.820 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H](C)OCCc2ccccc2)C1 ZINC001436181638 1065233769 /nfs/dbraw/zinc/23/37/69/1065233769.db2.gz IQOYDKRFWBQESP-UGKGYDQZSA-N 0 0 459.428 4.799 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360375939 1065233824 /nfs/dbraw/zinc/23/38/24/1065233824.db2.gz WDYNHJQQJLEKSF-NRFANRHFSA-N 0 0 472.630 4.678 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOC2CCCCCC2)CCO1 ZINC001360375995 1065233846 /nfs/dbraw/zinc/23/38/46/1065233846.db2.gz WRWHRIRNKOZEED-RBZQAINGSA-N 0 0 492.705 4.566 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001436181624 1065233945 /nfs/dbraw/zinc/23/39/45/1065233945.db2.gz IQOYDKRFWBQESP-DENIHFKCSA-N 0 0 459.428 4.799 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001360375769 1065233994 /nfs/dbraw/zinc/23/39/94/1065233994.db2.gz TYZPKTZBTCFWGC-FQEVSTJZSA-N 0 0 494.583 4.822 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)C2CC2)CCO1 ZINC001360376312 1065234570 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CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001360376593 1065235590 /nfs/dbraw/zinc/23/55/90/1065235590.db2.gz IQWLBHWMCXSQBY-IERDGZPVSA-N 0 0 450.986 4.947 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001360376622 1065235623 /nfs/dbraw/zinc/23/56/23/1065235623.db2.gz JTFZJJOGEXASHB-LJQANCHMSA-N 0 0 494.478 4.504 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360376611 1065235669 /nfs/dbraw/zinc/23/56/69/1065235669.db2.gz JMWHPQLGHDKSLW-KRWDZBQOSA-N 0 0 488.526 4.656 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC001436185126 1065236322 /nfs/dbraw/zinc/23/63/22/1065236322.db2.gz CSJXUUQXZLXPGA-AWEZNQCLSA-N 0 0 456.283 4.743 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)cc1OC1CCCC1 ZINC001436186197 1065236715 /nfs/dbraw/zinc/23/67/15/1065236715.db2.gz LYYOSWABDGAEOZ-OAQYLSRUSA-N 0 0 458.599 4.880 20 0 JJADRN CC(C)OCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001360376841 1065236801 /nfs/dbraw/zinc/23/68/01/1065236801.db2.gz PSMQHYNDUVHBKA-FQEVSTJZSA-N 0 0 488.702 4.683 20 0 JJADRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)nn1-c1ccccc1 ZINC001436187359 1065237456 /nfs/dbraw/zinc/23/74/56/1065237456.db2.gz SXGFAVACOQSXCQ-JOCHJYFZSA-N 0 0 452.599 4.859 20 0 JJADRN CC(C)n1ncc(C(=O)Oc2ccc(SC(F)(F)F)cc2)c1I ZINC001436186926 1065237504 /nfs/dbraw/zinc/23/75/04/1065237504.db2.gz JUVDLHBVMMSRTD-UHFFFAOYSA-N 0 0 456.227 4.900 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001360376982 1065237467 /nfs/dbraw/zinc/23/74/67/1065237467.db2.gz UGVBJGAZEHLAHZ-SFHVURJKSA-N 0 0 480.440 4.658 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360377095 1065237496 /nfs/dbraw/zinc/23/74/96/1065237496.db2.gz XGDVEKQUKJCDKP-KRWDZBQOSA-N 0 0 483.426 4.915 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001360377018 1065237543 /nfs/dbraw/zinc/23/75/43/1065237543.db2.gz UXMORDYXHCYEPK-UHFFFAOYSA-N 0 0 461.397 4.810 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001436187070 1065237537 /nfs/dbraw/zinc/23/75/37/1065237537.db2.gz XXNUYTAGZZCGFG-AWEZNQCLSA-N 0 0 456.283 4.743 20 0 JJADRN O=C(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001436187590 1065237977 /nfs/dbraw/zinc/23/79/77/1065237977.db2.gz CCDMRIFJOZHHBN-MRXNPFEDSA-N 0 0 459.415 4.985 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001436188431 1065238725 /nfs/dbraw/zinc/23/87/25/1065238725.db2.gz FBPXKPYCMOMKRZ-REWPJTCUSA-N 0 0 451.567 4.524 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001436188712 1065238810 /nfs/dbraw/zinc/23/88/10/1065238810.db2.gz PADJDLZTGYONRT-JJEJIETFSA-N 0 0 451.445 4.629 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)Oc2c(Cl)cc(Br)cc2Cl)=NN1c1ccccc1 ZINC001360378442 1065238802 /nfs/dbraw/zinc/23/88/02/1065238802.db2.gz PPSRIEABFIPCBI-MRXNPFEDSA-N 0 0 456.123 4.885 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001360377929 1065238835 /nfs/dbraw/zinc/23/88/35/1065238835.db2.gz BDPLSGKDAAIWIL-LJQANCHMSA-N 0 0 456.589 4.632 20 0 JJADRN O=C(Oc1c(Cl)cc(Br)cc1Cl)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001360378643 1065238843 /nfs/dbraw/zinc/23/88/43/1065238843.db2.gz XFSVMLDISIMFGM-UHFFFAOYSA-N 0 0 458.070 4.660 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3)cn2)C1 ZINC001436188876 1065239105 /nfs/dbraw/zinc/23/91/05/1065239105.db2.gz IUUUFJCNMPQOQQ-IRLDBZIGSA-N 0 0 451.567 4.524 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)C1 ZINC001436188903 1065239753 /nfs/dbraw/zinc/23/97/53/1065239753.db2.gz IWDLYQMHWMLVOQ-ZIAGYGMSSA-N 0 0 459.331 4.591 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001360379073 1065239859 /nfs/dbraw/zinc/23/98/59/1065239859.db2.gz KIBSWNFKCILFPE-FQEVSTJZSA-N 0 0 455.990 4.856 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2ccccc2COCc2ccccc2)c1Br ZINC001436191258 1065240786 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YNGGPHPHPOLGNY-IBGZPJMESA-N 0 0 452.595 4.756 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)cc1 ZINC001436192335 1065241918 /nfs/dbraw/zinc/24/19/18/1065241918.db2.gz YNGGPHPHPOLGNY-LJQANCHMSA-N 0 0 452.595 4.756 20 0 JJADRN O=C(Cc1ccc(Br)cc1F)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001360380693 1065242036 /nfs/dbraw/zinc/24/20/36/1065242036.db2.gz DMUXRRFQDGYLAR-UHFFFAOYSA-N 0 0 458.249 4.670 20 0 JJADRN CC(C)OCCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360380583 1065242126 /nfs/dbraw/zinc/24/21/26/1065242126.db2.gz ZRPLRLGWVXOGNI-UHFFFAOYSA-N 0 0 477.396 4.698 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC001436193148 1065242238 /nfs/dbraw/zinc/24/22/38/1065242238.db2.gz ZWUGHCPYPFVJIZ-IEBWSBKVSA-N 0 0 459.587 4.736 20 0 JJADRN COc1cc(NC(=O)c2cc(C)c(-c3ccccc3)s2)ccc1S(=O)(=O)N1CCCC1 ZINC001360381207 1065242325 /nfs/dbraw/zinc/24/23/25/1065242325.db2.gz YOFXHPMQIQRNJL-UHFFFAOYSA-N 0 0 456.589 4.769 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001360381851 1065242359 /nfs/dbraw/zinc/24/23/59/1065242359.db2.gz XRAYNIOLMLHLBR-MRXNPFEDSA-N 0 0 458.400 4.746 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(Cl)cc2F)C1=O ZINC001436195823 1065242951 /nfs/dbraw/zinc/24/29/51/1065242951.db2.gz QBZMVJCDAXKZIF-KRWDZBQOSA-N 0 0 453.739 4.784 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001360382166 1065242885 /nfs/dbraw/zinc/24/28/85/1065242885.db2.gz HOQIGHRTFCLXCU-QGZVFWFLSA-N 0 0 458.500 4.980 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360382165 1065242934 /nfs/dbraw/zinc/24/29/34/1065242934.db2.gz HOQIGHRTFCLXCU-KRWDZBQOSA-N 0 0 458.500 4.980 20 0 JJADRN CC(C)OCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360382185 1065242994 /nfs/dbraw/zinc/24/29/94/1065242994.db2.gz IJSHIKDAQUQDJG-OAQYLSRUSA-N 0 0 450.574 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1CC1(c2ccccc2OC)CCC1 ZINC001545896023 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ZINC001360442400 1065327448 /nfs/dbraw/zinc/32/74/48/1065327448.db2.gz NKDSUIBEIDPHPQ-NFVVUBBGSA-N 0 0 499.725 4.737 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001436471445 1065327728 /nfs/dbraw/zinc/32/77/28/1065327728.db2.gz ZHKJNUBTGKTWPI-CRAIPNDOSA-N 0 0 466.257 4.756 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1 ZINC001360442521 1065328103 /nfs/dbraw/zinc/32/81/03/1065328103.db2.gz OUJFJAPPXPDGDR-FFZYEISDSA-N 0 0 499.706 4.785 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1ccccn1 ZINC001360442534 1065328242 /nfs/dbraw/zinc/32/82/42/1065328242.db2.gz OXUXNQNWNGMGKT-ASPBEGMCSA-N 0 0 468.671 4.699 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)/C=C\c2ccccc2OC(F)(F)F)C1=O ZINC001436477920 1065329058 /nfs/dbraw/zinc/32/90/58/1065329058.db2.gz XLNSTRRUNOOCJR-JGWGFIMPSA-N 0 0 450.432 4.606 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)C1=O ZINC001436478107 1065329676 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OZTHVRWVSIGGCP-OAHLLOKOSA-N 0 0 463.504 4.971 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360444197 1065331317 /nfs/dbraw/zinc/33/13/17/1065331317.db2.gz OVOIKESOQQXKDT-GOSISDBHSA-N 0 0 458.566 4.864 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)CCCO1 ZINC001436486921 1065331966 /nfs/dbraw/zinc/33/19/66/1065331966.db2.gz NAEPOLGPQOZJJD-QFIPXVFZSA-N 0 0 454.368 4.946 20 0 JJADRN Cc1cc2cc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)ccc2n(C)c1=O ZINC001436486757 1065331977 /nfs/dbraw/zinc/33/19/77/1065331977.db2.gz CNHMRVXWDZHTEE-XJABCFGWSA-N 0 0 453.583 4.601 20 0 JJADRN O=C(c1ccc2c(c1)NC(=O)CS2)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436487242 1065332529 /nfs/dbraw/zinc/33/25/29/1065332529.db2.gz KSJFFGQRHDGISU-UHFFFAOYSA-N 0 0 454.349 4.735 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1 ZINC001360444933 1065332597 /nfs/dbraw/zinc/33/25/97/1065332597.db2.gz KYVLTVRCBVZJED-QHCPKHFHSA-N 0 0 454.542 4.859 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccc(OC(F)F)cn2)oc1-c1ccc(Br)cc1 ZINC001436489685 1065333037 /nfs/dbraw/zinc/33/30/37/1065333037.db2.gz KVHFPYXGBUGXKC-UHFFFAOYSA-N 0 0 452.255 4.980 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)n1 ZINC001436488718 1065333167 /nfs/dbraw/zinc/33/31/67/1065333167.db2.gz FBQCVZGWOXODFT-INIZCTEOSA-N 0 0 458.209 4.938 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)n1 ZINC001436488723 1065333203 /nfs/dbraw/zinc/33/32/03/1065333203.db2.gz FBQCVZGWOXODFT-MRXNPFEDSA-N 0 0 458.209 4.938 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 ZINC001360445652 1065333725 /nfs/dbraw/zinc/33/37/25/1065333725.db2.gz GPQUNQCQAPKXNJ-KNKQGSTJSA-N 0 0 485.629 4.680 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(C2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360445685 1065333782 /nfs/dbraw/zinc/33/37/82/1065333782.db2.gz HIRYCMWIGPQRLH-HNNXBMFYSA-N 0 0 475.519 4.760 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1csc2ccc(Br)cc12 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1065335033 /nfs/dbraw/zinc/33/50/33/1065335033.db2.gz NSDVIGVLHQREBX-NFBKMPQASA-N 0 0 474.653 4.747 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCO1 ZINC001360446019 1065335054 /nfs/dbraw/zinc/33/50/54/1065335054.db2.gz MUFBYOICQUJNDZ-AUSIDOKSSA-N 0 0 497.640 4.641 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360446294 1065335345 /nfs/dbraw/zinc/33/53/45/1065335345.db2.gz RZUVCDHMFGRPOK-LJQANCHMSA-N 0 0 492.624 4.566 20 0 JJADRN O=C(CC1CCCC1)NC1CCC(C(=O)OCc2cc(Br)cnc2Cl)CC1 ZINC001436498764 1065335566 /nfs/dbraw/zinc/33/55/66/1065335566.db2.gz HYSDSRQHRMFKRU-UHFFFAOYSA-N 0 0 457.796 4.796 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCc2cccnc21 ZINC001360446048 1065335503 /nfs/dbraw/zinc/33/55/03/1065335503.db2.gz NSDVIGVLHQREBX-REWPJTCUSA-N 0 0 474.653 4.747 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360446605 1065336148 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KTHVMDMWDYHGJC-NRFANRHFSA-N 0 0 460.626 4.500 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1 ZINC001360448320 1065338725 /nfs/dbraw/zinc/33/87/25/1065338725.db2.gz OBGLCVCRZGDCMR-UGKGYDQZSA-N 0 0 483.707 4.872 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)cc1Br ZINC001436514451 1065339409 /nfs/dbraw/zinc/33/94/09/1065339409.db2.gz RPUGULIXGVNIDW-QGZVFWFLSA-N 0 0 457.166 4.521 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC=CCO1 ZINC001360448959 1065340088 /nfs/dbraw/zinc/34/00/88/1065340088.db2.gz YXCJWLPPSQUHKL-LPHOPBHVSA-N 0 0 456.388 4.589 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(Cl)cc(F)c2Br)c(Cl)c1OC ZINC001436516719 1065340092 /nfs/dbraw/zinc/34/00/92/1065340092.db2.gz PTIKJMPHRIXWKD-UHFFFAOYSA-N 0 0 451.119 4.885 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c1 ZINC001360449192 1065340506 /nfs/dbraw/zinc/34/05/06/1065340506.db2.gz IZOPKFDWIYOBFW-UHFFFAOYSA-N 0 0 458.248 4.600 20 0 JJADRN 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1065343102 /nfs/dbraw/zinc/34/31/02/1065343102.db2.gz MUNDJUOBJCINOG-UHFFFAOYSA-N 0 0 457.012 4.540 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCSC1 ZINC001360450756 1065343169 /nfs/dbraw/zinc/34/31/69/1065343169.db2.gz RWLQZRSXNFGHOM-ROUUACIJSA-N 0 0 455.653 4.610 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)c3ccc(F)cc3I)c2s1 ZINC001436525983 1065344103 /nfs/dbraw/zinc/34/41/03/1065344103.db2.gz YKRMLLSUBIISLV-UHFFFAOYSA-N 0 0 455.248 4.684 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001436525805 1065344183 /nfs/dbraw/zinc/34/41/83/1065344183.db2.gz UUOHGSFZTKCCNB-LIRRHRJNSA-N 0 0 453.576 4.823 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)cc1 ZINC001436526277 1065344791 /nfs/dbraw/zinc/34/47/91/1065344791.db2.gz CWKWIGRMFUDEGO-IBGZPJMESA-N 0 0 450.000 4.526 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360451908 1065344906 /nfs/dbraw/zinc/34/49/06/1065344906.db2.gz CIEKHVAGSNCZMD-ZFWWWQNUSA-N 0 0 451.880 4.754 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)c1ccco1 ZINC001360452439 1065345964 /nfs/dbraw/zinc/34/59/64/1065345964.db2.gz LROWHYZJDHMUEG-GWGWEVEKSA-N 0 0 495.624 4.747 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cnccn2)n1CCNc1ncc(Cl)cc1Cl ZINC001360452537 1065346073 /nfs/dbraw/zinc/34/60/73/1065346073.db2.gz NOTPUJLFOWCTNA-AWEZNQCLSA-N 0 0 487.370 4.886 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360452546 1065346113 /nfs/dbraw/zinc/34/61/13/1065346113.db2.gz NUHQNCHFVAGCJS-WXTAPIANSA-N 0 0 480.588 4.593 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@H]2CCN(c3ccccc3F)C2)c2ccccc2)cc1 ZINC001436530784 1065346688 /nfs/dbraw/zinc/34/66/88/1065346688.db2.gz GIBMKORUCCQNLF-BWKNWUBXSA-N 0 0 459.565 4.638 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(Br)cn1 ZINC001360452666 1065347260 /nfs/dbraw/zinc/34/72/60/1065347260.db2.gz PXEBGCDRUVVXHP-IAGOWNOFSA-N 0 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1065355288 /nfs/dbraw/zinc/35/52/88/1065355288.db2.gz YJFWHXAIDMPGEQ-UHFFFAOYSA-N 0 0 450.398 4.973 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)CC(F)(F)F ZINC001360455821 1065355414 /nfs/dbraw/zinc/35/54/14/1065355414.db2.gz AZRLXMAPTBLKTF-SFHVURJKSA-N 0 0 487.530 4.805 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001360455405 1065355424 /nfs/dbraw/zinc/35/54/24/1065355424.db2.gz KHZFQJIWVXEFLN-UHFFFAOYSA-N 0 0 454.506 4.678 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001436548745 1065355493 /nfs/dbraw/zinc/35/54/93/1065355493.db2.gz CRBTYKIDXOZWLD-VWLOTQADSA-N 0 0 452.957 4.901 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360456127 1065355877 /nfs/dbraw/zinc/35/58/77/1065355877.db2.gz IKVXPSRBZYBJQV-ZDUSSCGKSA-N 0 0 462.888 4.772 20 0 JJADRN Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc(=O)n(CCOc3ccccc3Cl)c1)C2 ZINC001436550132 1065356095 /nfs/dbraw/zinc/35/60/95/1065356095.db2.gz 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C[C@H](c1ccsc1)N1CCN(c2nnc(CCc3ccccc3)n2CCOC(C)(C)C)CC1 ZINC001360466757 1065379417 /nfs/dbraw/zinc/37/94/17/1065379417.db2.gz HZFOIAAWFRUISB-OAQYLSRUSA-N 0 0 467.683 4.823 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(CCc3ccccc3)n2CCOC(C)(C)C)CC1 ZINC001360466756 1065379545 /nfs/dbraw/zinc/37/95/45/1065379545.db2.gz HZFOIAAWFRUISB-NRFANRHFSA-N 0 0 467.683 4.823 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001436580754 1065379695 /nfs/dbraw/zinc/37/96/95/1065379695.db2.gz QTBQKZLCKJZXHF-WRWLIDTKSA-N 0 0 453.986 4.552 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360466640 1065379673 /nfs/dbraw/zinc/37/96/73/1065379673.db2.gz NPEDKQHNCCJNBI-UYAOXDASSA-N 0 0 482.654 4.922 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)c1c(C(F)F)nc2ccccn21)NC(=O)OC(C)(C)C ZINC001436581071 1065380156 /nfs/dbraw/zinc/38/01/56/1065380156.db2.gz LWJXJHDUWUZSJK-KRWDZBQOSA-N 0 0 458.509 4.830 20 0 JJADRN CN(CC(F)(F)Br)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 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DGLLXGCICULRCO-LBPRGKRZSA-N 0 0 450.358 4.977 20 0 JJADRN COC(=O)c1nc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)sc1C(C)C ZINC001436582922 1065381735 /nfs/dbraw/zinc/38/17/35/1065381735.db2.gz IRYDLMLISONABI-UHFFFAOYSA-N 0 0 452.458 4.818 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)NC(=O)OC(C)(C)C ZINC001436582887 1065381769 /nfs/dbraw/zinc/38/17/69/1065381769.db2.gz UBRRABREBWJYBH-HOYKHHGWSA-N 0 0 452.595 4.887 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1Br ZINC001436582907 1065381854 /nfs/dbraw/zinc/38/18/54/1065381854.db2.gz OZLMCBDIDALXAR-UHFFFAOYSA-N 0 0 456.266 4.857 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H]1CCOC1 ZINC001360467700 1065382333 /nfs/dbraw/zinc/38/23/33/1065382333.db2.gz XWXZYVUORXFPDR-QEUVDIPISA-N 0 0 462.660 4.651 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CCC2=O)cc1C ZINC001436583355 1065382506 /nfs/dbraw/zinc/38/25/06/1065382506.db2.gz RQNSFFOAHJNYHP-KRWDZBQOSA-N 0 0 456.468 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454.328 4.806 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(F)(F)F ZINC001436598921 1065392245 /nfs/dbraw/zinc/39/22/45/1065392245.db2.gz RHXXQBVQSQQONF-ZWNOBZJWSA-N 0 0 457.246 4.843 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC001360473024 1065392983 /nfs/dbraw/zinc/39/29/83/1065392983.db2.gz LAWRVJHTLWJZHI-NRFANRHFSA-N 0 0 458.400 4.518 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1ccccc1Cn1ccnc1 ZINC001436600914 1065393451 /nfs/dbraw/zinc/39/34/51/1065393451.db2.gz SLVZFRDHTJJGLW-UHFFFAOYSA-N 0 0 456.493 4.933 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)c1 ZINC001360475899 1065394527 /nfs/dbraw/zinc/39/45/27/1065394527.db2.gz VDZSBUYEIUGAEH-UHFFFAOYSA-N 0 0 452.361 4.714 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001436602187 1065394571 /nfs/dbraw/zinc/39/45/71/1065394571.db2.gz VOSNIQKSLUEQID-JXFKEZNVSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1scc(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001436607510 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CMEHGLFXHRTAIA-SFTDATJTSA-N 0 0 454.571 4.629 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360536330 1065519018 /nfs/dbraw/zinc/51/90/18/1065519018.db2.gz XBUJYHPBHPHOHE-SOUVJXGZSA-N 0 0 462.367 4.735 20 0 JJADRN CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)[C@H]1CCCCO1 ZINC001437192793 1065519129 /nfs/dbraw/zinc/51/91/29/1065519129.db2.gz CMEHGLFXHRTAIA-NHCUHLMSSA-N 0 0 454.571 4.629 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC001437203860 1065519615 /nfs/dbraw/zinc/51/96/15/1065519615.db2.gz WTFYYLZTEZNSCB-ABSDTBQOSA-N 0 0 454.558 4.815 20 0 JJADRN C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)F)C1)Oc1ccccc1 ZINC001360536693 1065519746 /nfs/dbraw/zinc/51/97/46/1065519746.db2.gz ZWFGQTXIAWJLKP-CVEARBPZSA-N 0 0 494.384 4.995 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)Oc2ccc(F)cc2)CCO1 ZINC001360536867 1065520119 /nfs/dbraw/zinc/52/01/19/1065520119.db2.gz SIWMINATDVLPSP-YWZLYKJASA-N 0 0 492.393 4.504 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)Oc2ccc(F)cc2)CCO1 ZINC001360536864 1065520230 /nfs/dbraw/zinc/52/02/30/1065520230.db2.gz SIWMINATDVLPSP-FOIQADDNSA-N 0 0 492.393 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCOc1ccccc1C ZINC001545905559 1065520743 /nfs/dbraw/zinc/52/07/43/1065520743.db2.gz DHQZINZCXGETAJ-HHHXNRCGSA-N 0 0 465.642 4.911 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C1CCCCCC1 ZINC001437217601 1065520785 /nfs/dbraw/zinc/52/07/85/1065520785.db2.gz SZCKFOGSRFZCFL-HXUWFJFHSA-N 0 0 451.489 4.831 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccn(-c2ccc(F)cc2F)n1 ZINC001437216091 1065520836 /nfs/dbraw/zinc/52/08/36/1065520836.db2.gz UPGZVTIOGPCHFQ-UHFFFAOYSA-N 0 0 451.395 4.901 20 0 JJADRN C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCOCC1)N(C)C(=O)OC(C)(C)C ZINC001360537206 1065521258 /nfs/dbraw/zinc/52/12/58/1065521258.db2.gz YZIOCDWXUNWOCA-GOSISDBHSA-N 0 0 489.686 4.758 20 0 JJADRN 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CCCN(CCC)C(=O)c1cccc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001437231878 1065523752 /nfs/dbraw/zinc/52/37/52/1065523752.db2.gz PUKFIGPJIVXFIJ-UHFFFAOYSA-N 0 0 459.631 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC001437234232 1065523836 /nfs/dbraw/zinc/52/38/36/1065523836.db2.gz WOCRKVALXDJVDD-UHFFFAOYSA-N 0 0 454.615 4.937 20 0 JJADRN O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001437241423 1065524496 /nfs/dbraw/zinc/52/44/96/1065524496.db2.gz GFRPIQRFVPTQDX-UHFFFAOYSA-N 0 0 452.226 4.993 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccc(F)cc1 ZINC001360540430 1065524944 /nfs/dbraw/zinc/52/49/44/1065524944.db2.gz CLLBBCOWYRXTFO-HRCADAONSA-N 0 0 461.994 4.930 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360540339 1065524958 /nfs/dbraw/zinc/52/49/58/1065524958.db2.gz GMMWXTUUZHRUHH-CQSZACIVSA-N 0 0 451.974 4.839 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c(C2CC2)cc1Cl ZINC001437249960 1065525552 /nfs/dbraw/zinc/52/55/52/1065525552.db2.gz UDZFGJMHXFPWHU-UTKZUKDTSA-N 0 0 458.942 4.591 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)c1cc2c(cc1Br)OCO2 ZINC001437254832 1065526006 /nfs/dbraw/zinc/52/60/06/1065526006.db2.gz PUBMSBMRZWRRSB-UHFFFAOYSA-N 0 0 459.683 4.710 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(F)(F)F)CC1)N1CCOCC1 ZINC001360540768 1065526364 /nfs/dbraw/zinc/52/63/64/1065526364.db2.gz IBIVSTBAAWQTPR-SFHVURJKSA-N 0 0 479.591 4.742 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cn2)c1 ZINC001437261538 1065526644 /nfs/dbraw/zinc/52/66/44/1065526644.db2.gz GRHKCCWAVSYDCS-UHFFFAOYSA-N 0 0 458.408 4.577 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1)N(C)C(=O)OC(C)(C)C ZINC001360541015 1065526752 /nfs/dbraw/zinc/52/67/52/1065526752.db2.gz KVKCFAIFCSDMNK-AWEZNQCLSA-N 0 0 455.937 4.699 20 0 JJADRN Cc1ccccc1-n1ncc(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1C(F)F ZINC001437269438 1065527748 /nfs/dbraw/zinc/52/77/48/1065527748.db2.gz ICTCCUIWMGVBQV-SFHVURJKSA-N 0 0 454.477 4.716 20 0 JJADRN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001437274688 1065528373 /nfs/dbraw/zinc/52/83/73/1065528373.db2.gz USBUHWRSRDABRX-INIZCTEOSA-N 0 0 452.382 4.860 20 0 JJADRN C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541432 1065528669 /nfs/dbraw/zinc/52/86/69/1065528669.db2.gz LKTUDTYVRLJLHM-IEBWSBKVSA-N 0 0 485.629 4.802 20 0 JJADRN C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541612 1065529082 /nfs/dbraw/zinc/52/90/82/1065529082.db2.gz MWTCPIHVKKJPHF-RTBURBONSA-N 0 0 499.656 4.844 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCc1ccc(OC)c(OC)c1 ZINC001545905951 1065529539 /nfs/dbraw/zinc/52/95/39/1065529539.db2.gz NAVJLXAOPRGIQW-UHFFFAOYSA-N 0 0 483.657 4.617 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Oc1ccccc1 ZINC001360541805 1065529768 /nfs/dbraw/zinc/52/97/68/1065529768.db2.gz OCPYSSQIVZIFMK-AZUAARDMSA-N 0 0 497.043 4.592 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Oc1ccccc1 ZINC001360541808 1065529862 /nfs/dbraw/zinc/52/98/62/1065529862.db2.gz OCPYSSQIVZIFMK-ICSRJNTNSA-N 0 0 497.043 4.592 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001437284335 1065529963 /nfs/dbraw/zinc/52/99/63/1065529963.db2.gz RHSKZLPUEZPILK-YSSFQJQWSA-N 0 0 455.576 4.640 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nccc(Br)c3Cl)C2)c1 ZINC001437284089 1065530111 /nfs/dbraw/zinc/53/01/11/1065530111.db2.gz RAPDBOSFLSREDQ-AWEZNQCLSA-N 0 0 450.764 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001437284685 1065530514 /nfs/dbraw/zinc/53/05/14/1065530514.db2.gz UCOCMTMSVSETMC-BURNTYAHSA-N 0 0 458.599 4.756 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360542057 1065530701 /nfs/dbraw/zinc/53/07/01/1065530701.db2.gz QLPFVLFWOGTMTD-IYOUNJFTSA-N 0 0 499.896 4.756 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCOc2c(F)cc(F)cc21 ZINC001437285812 1065531063 /nfs/dbraw/zinc/53/10/63/1065531063.db2.gz GYYSTMVZUSRUCI-HXUWFJFHSA-N 0 0 456.876 4.905 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001360542345 1065531408 /nfs/dbraw/zinc/53/14/08/1065531408.db2.gz UJNKZGUHOAZKMW-INIZCTEOSA-N 0 0 473.980 4.994 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001437286767 1065531737 /nfs/dbraw/zinc/53/17/37/1065531737.db2.gz ZCYJXLOYDBXDKM-GASCZTMLSA-N 0 0 457.527 4.907 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)(F)F)Oc1cccc(F)c1 ZINC001360542505 1065531888 /nfs/dbraw/zinc/53/18/88/1065531888.db2.gz XNPSZNPAPHPARL-CYBMUJFWSA-N 0 0 457.859 4.989 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(C)c1Br ZINC001437289483 1065532090 /nfs/dbraw/zinc/53/20/90/1065532090.db2.gz SWIARJMOBMPKCK-RDJZCZTQSA-N 0 0 453.421 4.821 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001545906059 1065532545 /nfs/dbraw/zinc/53/25/45/1065532545.db2.gz OYLMWQKYZXHGCI-RUZDIDTESA-N 0 0 488.583 4.568 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(OCc3nc(C)no3)cc2)cc1 ZINC001360542788 1065532539 /nfs/dbraw/zinc/53/25/39/1065532539.db2.gz FRVNOUCEMPGNGB-UHFFFAOYSA-N 0 0 450.520 4.579 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(C)nc4cc(Br)ccc43)cc2)n1 ZINC001360542844 1065532566 /nfs/dbraw/zinc/53/25/66/1065532566.db2.gz HUAGGFQPEBMXAX-UHFFFAOYSA-N 0 0 453.296 4.828 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1nccs1 ZINC001360543998 1065533187 /nfs/dbraw/zinc/53/31/87/1065533187.db2.gz AAYVFNUIYBXLMD-QZTJIDSGSA-N 0 0 468.627 4.651 20 0 JJADRN CCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(C)c1 ZINC001437296463 1065533125 /nfs/dbraw/zinc/53/31/25/1065533125.db2.gz JHYJHJWTIWSJOD-UHFFFAOYSA-N 0 0 453.560 4.884 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N(C)c3ccsc3)nnc2-c2ccncc2)cc1 ZINC001437293613 1065533179 /nfs/dbraw/zinc/53/31/79/1065533179.db2.gz PBGOSZNSUNNKIQ-UHFFFAOYSA-N 0 0 451.577 4.545 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nccc(-c2sccc2Br)n1 ZINC001437296411 1065533454 /nfs/dbraw/zinc/53/34/54/1065533454.db2.gz JAZWSFCWRKKDGK-UHFFFAOYSA-N 0 0 457.353 4.593 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N(c3ccc(C)c(Br)c3)C(C)C)CC2=O)cc1 ZINC001437299369 1065533777 /nfs/dbraw/zinc/53/37/77/1065533777.db2.gz GOAYIZFPBKSQBC-GOSISDBHSA-N 0 0 459.384 4.556 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001360544399 1065533885 /nfs/dbraw/zinc/53/38/85/1065533885.db2.gz IITJYPVWLQTSOH-INIZCTEOSA-N 0 0 455.488 4.533 20 0 JJADRN CN(C(=O)c1cccnc1N1CCCCC1)c1nccc(-c2sccc2Br)n1 ZINC001437297719 1065533986 /nfs/dbraw/zinc/53/39/86/1065533986.db2.gz MNHJDENYKDTVKQ-UHFFFAOYSA-N 0 0 458.385 4.630 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CC2 ZINC001437301320 1065534287 /nfs/dbraw/zinc/53/42/87/1065534287.db2.gz RSSBWFVKUOVBOT-AVRDEDQJSA-N 0 0 455.396 4.722 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Br)cc1I)CC2 ZINC001437301843 1065534353 /nfs/dbraw/zinc/53/43/53/1065534353.db2.gz SSCBCSJHYKKCRB-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544691 1065534386 /nfs/dbraw/zinc/53/43/86/1065534386.db2.gz OFIUFVUHLSPJHK-HKUYNNGSSA-N 0 0 497.562 4.748 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360544776 1065534725 /nfs/dbraw/zinc/53/47/25/1065534725.db2.gz PRIMDQWELJWDTI-JKSUJKDBSA-N 0 0 489.045 4.962 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N(Cc1ccccc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544848 1065534740 /nfs/dbraw/zinc/53/47/40/1065534740.db2.gz RBZKGJQWFLMWOI-SFHVURJKSA-N 0 0 480.588 4.904 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C)c1nccs1 ZINC001360544830 1065534892 /nfs/dbraw/zinc/53/48/92/1065534892.db2.gz QWXNLXOPVSCJJR-GJZGRUSLSA-N 0 0 476.444 4.972 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545906142 1065534974 /nfs/dbraw/zinc/53/49/74/1065534974.db2.gz RQBYTXBUYYTOSX-PKOBYXMFSA-N 0 0 485.595 4.887 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1 ZINC001360546423 1065537693 /nfs/dbraw/zinc/53/76/93/1065537693.db2.gz LDMJTNBZDSFMEQ-KRWDZBQOSA-N 0 0 454.548 4.548 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1OC ZINC001437335504 1065538271 /nfs/dbraw/zinc/53/82/71/1065538271.db2.gz JLGHFWFUQOSYFH-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546946 1065538585 /nfs/dbraw/zinc/53/85/85/1065538585.db2.gz WZWWCOJJKSFAFZ-PZJWPPBQSA-N 0 0 462.598 4.589 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001360547051 1065538631 /nfs/dbraw/zinc/53/86/31/1065538631.db2.gz XWGHETHKNLMUHV-VAMGGRTRSA-N 0 0 454.619 4.612 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360547176 1065539221 /nfs/dbraw/zinc/53/92/21/1065539221.db2.gz ZKNXSABBSDLASP-NQIIRXRSSA-N 0 0 482.604 4.720 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCSC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360547207 1065539304 /nfs/dbraw/zinc/53/93/04/1065539304.db2.gz ZNESQLDYHXYOAK-IBGZPJMESA-N 0 0 486.686 4.852 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc2ccccc2s1)N(C)C(=O)OC(C)(C)C ZINC001360548632 1065539702 /nfs/dbraw/zinc/53/97/02/1065539702.db2.gz DTJGZOLPMJUYBN-MRXNPFEDSA-N 0 0 481.626 4.775 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)c1nccs1 ZINC001360549355 1065540800 /nfs/dbraw/zinc/54/08/00/1065540800.db2.gz QRNGHYGGWMEMSA-LBPRGKRZSA-N 0 0 463.430 4.994 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@]2(CC=CCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360549333 1065540847 /nfs/dbraw/zinc/54/08/47/1065540847.db2.gz QHGSJWQFBAEEAG-FQRUVTKNSA-N 0 0 466.630 4.922 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@]2(CC=CCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360549332 1065540859 /nfs/dbraw/zinc/54/08/59/1065540859.db2.gz QHGSJWQFBAEEAG-FNZWTVRRSA-N 0 0 466.630 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001545906425 1065540939 /nfs/dbraw/zinc/54/09/39/1065540939.db2.gz YNMWVUYWXSYTKT-OFAXGOBFSA-N 0 0 487.092 4.922 20 0 JJADRN Cc1cc(Br)ccc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001437351371 1065541085 /nfs/dbraw/zinc/54/10/85/1065541085.db2.gz VVCKMGHFTWNYSV-UHFFFAOYSA-N 0 0 451.336 4.851 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)c1nccs1)Oc1ccc(F)cc1 ZINC001360549639 1065541348 /nfs/dbraw/zinc/54/13/48/1065541348.db2.gz WCWDXXMLRAUKKZ-IAGOWNOFSA-N 0 0 452.559 4.643 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)[C@H](C)Sc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC001437356195 1065541491 /nfs/dbraw/zinc/54/14/91/1065541491.db2.gz XOSDUHAPDJEYJW-DZGCQCFKSA-N 0 0 458.933 4.561 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550216 1065541826 /nfs/dbraw/zinc/54/18/26/1065541826.db2.gz HRELIXSSGCCAGX-RTWAWAEBSA-N 0 0 494.640 4.824 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)NC3(C(=O)OC(C)(C)C)CCCCCC3)CC2=O)cc1 ZINC001437361028 1065542254 /nfs/dbraw/zinc/54/22/54/1065542254.db2.gz RCTWVAQHPUQHPF-NRFANRHFSA-N 0 0 456.627 4.933 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)c2cc3ccc(Br)cc3s2)c1 ZINC001437361108 1065542313 /nfs/dbraw/zinc/54/23/13/1065542313.db2.gz KEGYMSLFEZLLND-UHFFFAOYSA-N 0 0 455.127 4.744 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Sc1ccccc1 ZINC001360550763 1065542271 /nfs/dbraw/zinc/54/22/71/1065542271.db2.gz RBIYSTPYQYDQRN-DLBZAZTESA-N 0 0 464.561 4.527 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Sc1ccccc1 ZINC001360550765 1065542318 /nfs/dbraw/zinc/54/23/18/1065542318.db2.gz RBIYSTPYQYDQRN-IRXDYDNUSA-N 0 0 464.561 4.527 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550805 1065542373 /nfs/dbraw/zinc/54/23/73/1065542373.db2.gz RTMIJFOZSBASGL-UXHICEINSA-N 0 0 480.613 4.576 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360551418 1065542795 /nfs/dbraw/zinc/54/27/95/1065542795.db2.gz ZEAPMFYMCXSMKR-KRWDZBQOSA-N 0 0 454.962 4.808 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1N1CCCS1(=O)=O ZINC001360551291 1065543051 /nfs/dbraw/zinc/54/30/51/1065543051.db2.gz KFYZSARRZRVOLB-IBGZPJMESA-N 0 0 450.560 4.927 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)c1 ZINC001360551723 1065543079 /nfs/dbraw/zinc/54/30/79/1065543079.db2.gz WWMNSVXBZWONNO-LJQANCHMSA-N 0 0 452.576 4.835 20 0 JJADRN CCCCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001437372778 1065543405 /nfs/dbraw/zinc/54/34/05/1065543405.db2.gz XLIMIQRNIVCALU-IRLDBZIGSA-N 0 0 457.640 4.970 20 0 JJADRN Cc1ccc(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1N1CCCS1(=O)=O ZINC001360551793 1065543507 /nfs/dbraw/zinc/54/35/07/1065543507.db2.gz ZGLYFSVBUREJDU-YWEYNIOJSA-N 0 0 458.889 4.859 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001360552225 1065543513 /nfs/dbraw/zinc/54/35/13/1065543513.db2.gz MXEZNCHOCHEFTD-GOSISDBHSA-N 0 0 459.855 4.956 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)c1cccc(OCc2cscn2)c1)c1ccccc1 ZINC001437369590 1065543599 /nfs/dbraw/zinc/54/35/99/1065543599.db2.gz SBWXYZUNCCVQJB-VWLOTQADSA-N 0 0 452.576 4.752 20 0 JJADRN COc1ccc(-c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)c4ccncc34)c(F)c2)cc1 ZINC001437374689 1065543943 /nfs/dbraw/zinc/54/39/43/1065543943.db2.gz UYSJUGMFWIMKQJ-UHFFFAOYSA-N 0 0 450.491 4.705 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC001437378152 1065544759 /nfs/dbraw/zinc/54/47/59/1065544759.db2.gz IIDHQFLSKJWMDT-IBGZPJMESA-N 0 0 454.785 4.563 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360554639 1065545233 /nfs/dbraw/zinc/54/52/33/1065545233.db2.gz LTUYKZAHFDNRPV-AOIWGVFYSA-N 0 0 473.593 4.502 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360554641 1065545336 /nfs/dbraw/zinc/54/53/36/1065545336.db2.gz LTUYKZAHFDNRPV-ZHALLVOQSA-N 0 0 473.593 4.502 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)N(C)C(=O)OC(C)(C)C ZINC001360554793 1065545816 /nfs/dbraw/zinc/54/58/16/1065545816.db2.gz NTXTVJLEYZZORT-WMZOPIPTSA-N 0 0 476.021 4.722 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N(Cc1c(F)cccc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360555911 1065546225 /nfs/dbraw/zinc/54/62/25/1065546225.db2.gz ZGIZCULKVZLRTE-HNNXBMFYSA-N 0 0 461.557 4.858 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1 ZINC001437389715 1065546526 /nfs/dbraw/zinc/54/65/26/1065546526.db2.gz VMZNMQQQKYZOJS-UHFFFAOYSA-N 0 0 455.511 4.671 20 0 JJADRN COc1ccc(CCC(=O)Oc2ccc(NC(=O)OC(C)C)cc2Cl)c(OC)c1OC ZINC001437394110 1065547287 /nfs/dbraw/zinc/54/72/87/1065547287.db2.gz LQISKGVENFXOAV-UHFFFAOYSA-N 0 0 451.903 4.861 20 0 JJADRN CC(C)O[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001437398790 1065547491 /nfs/dbraw/zinc/54/74/91/1065547491.db2.gz UCFWWBHCCUKTOQ-NJYVYQBISA-N 0 0 451.007 4.707 20 0 JJADRN CC[C@@H](OCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccccc1 ZINC001437401035 1065547995 /nfs/dbraw/zinc/54/79/95/1065547995.db2.gz ALOALPNNIYUDIA-UBFVSLLYSA-N 0 0 466.622 4.996 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001360558484 1065547992 /nfs/dbraw/zinc/54/79/92/1065547992.db2.gz QYVNIUMQMGLSRZ-RTBURBONSA-N 0 0 471.621 4.529 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1)N(C)C(=O)OC(C)(C)C ZINC001360559456 1065549058 /nfs/dbraw/zinc/54/90/58/1065549058.db2.gz IKNMBCYSSIWTSN-UWJYYQICSA-N 0 0 490.048 4.991 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)CCOc1cccc(I)c1 ZINC001437417261 1065549234 /nfs/dbraw/zinc/54/92/34/1065549234.db2.gz BGZMQGHLSBXHAH-HNNXBMFYSA-N 0 0 455.361 4.699 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N2CCS[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001437420795 1065549661 /nfs/dbraw/zinc/54/96/61/1065549661.db2.gz FOTPHDAVBAFJMA-LSQMVHIFSA-N 0 0 452.620 4.702 20 0 JJADRN CSc1cc(C(=O)N2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)ccc1Br ZINC001437420580 1065549757 /nfs/dbraw/zinc/54/97/57/1065549757.db2.gz NOCXXISFMZOTHM-SWLSCSKDSA-N 0 0 450.402 4.772 20 0 JJADRN O=C([C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1CCS[C@H](c2ccccc2)C1 ZINC001437420018 1065549773 /nfs/dbraw/zinc/54/97/73/1065549773.db2.gz AQKIGYFHHGRIBM-SFTDATJTSA-N 0 0 451.419 4.683 20 0 JJADRN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)n1 ZINC001437421605 1065550164 /nfs/dbraw/zinc/55/01/64/1065550164.db2.gz PHDFQJGWDFNDEK-LRDDRELGSA-N 0 0 452.780 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CCCOc1ccccc1Br)C2 ZINC001437421674 1065550356 /nfs/dbraw/zinc/55/03/56/1065550356.db2.gz JDONEBOBWATAGU-SBUREZEXSA-N 0 0 481.431 4.762 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360560511 1065550825 /nfs/dbraw/zinc/55/08/25/1065550825.db2.gz YFCFJDFFGGOZGI-PDOICOKGSA-N 0 0 451.036 4.971 20 0 JJADRN COCc1ccc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1C(F)(F)F ZINC001437435856 1065551811 /nfs/dbraw/zinc/55/18/11/1065551811.db2.gz GVGZEVGSXLJQTG-UHFFFAOYSA-N 0 0 459.461 4.960 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(F)(F)F ZINC001437437356 1065551826 /nfs/dbraw/zinc/55/18/26/1065551826.db2.gz GFEYEJNFQHYEFD-FSEPTYSPSA-N 0 0 457.395 4.829 20 0 JJADRN C[C@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccccc1-c1ccc(Cl)cc1 ZINC001360560885 1065551981 /nfs/dbraw/zinc/55/19/81/1065551981.db2.gz JFKKJSRAGWUVNY-HNNXBMFYSA-N 0 0 453.951 4.549 20 0 JJADRN CCOC(=O)NCCCC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001360561232 1065552055 /nfs/dbraw/zinc/55/20/55/1065552055.db2.gz VVLTUUMBVTWKFD-LBPRGKRZSA-N 0 0 454.390 4.585 20 0 JJADRN O=C(COc1ccc(Cl)c2ccccc12)N1CCN(c2ccc(Br)cc2)CC1 ZINC001437440544 1065552442 /nfs/dbraw/zinc/55/24/42/1065552442.db2.gz MHRQWCINAWSSNK-UHFFFAOYSA-N 0 0 459.771 4.983 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H](C(=O)OC)c3cccc(OC)c3)cs2)cc1 ZINC001437440580 1065552472 /nfs/dbraw/zinc/55/24/72/1065552472.db2.gz MRJNAGZXQYKVTD-OAQYLSRUSA-N 0 0 454.548 4.594 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)c1nccs1 ZINC001360562521 1065552493 /nfs/dbraw/zinc/55/24/93/1065552493.db2.gz DECUKWOJVYPKEY-RBUKOAKNSA-N 0 0 497.669 4.684 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360563024 1065553284 /nfs/dbraw/zinc/55/32/84/1065553284.db2.gz FGHDDCVEEUUNPJ-LSDHHAIUSA-N 0 0 458.912 4.682 20 0 JJADRN COC[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(OC)c1 ZINC001437447637 1065553672 /nfs/dbraw/zinc/55/36/72/1065553672.db2.gz BABSEJVDNFNBNP-LJQANCHMSA-N 0 0 450.482 4.884 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)c2ccc(NC(=O)C3CC3)s2)C1 ZINC001437451404 1065554331 /nfs/dbraw/zinc/55/43/31/1065554331.db2.gz JUIHTMYPSBVVKX-QGZVFWFLSA-N 0 0 455.580 4.583 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001437462193 1065555552 /nfs/dbraw/zinc/55/55/52/1065555552.db2.gz MXGZGIOATNSTQM-LEWJYISDSA-N 0 0 457.393 4.817 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CSCc2ccc(Br)cc21 ZINC001437459332 1065555581 /nfs/dbraw/zinc/55/55/81/1065555581.db2.gz GXDGCTNQEXHGQY-HNNXBMFYSA-N 0 0 450.383 4.598 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Nc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360564479 1065555732 /nfs/dbraw/zinc/55/57/32/1065555732.db2.gz PVWDRASFWWRSCA-XPNTWCBSSA-N 0 0 498.672 4.508 20 0 JJADRN C[C@H](Sc1nc(CC(=O)N2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)cs1)C(N)=O ZINC001437463397 1065556001 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0 0 456.586 4.986 20 0 JJADRN CC(=O)c1ccc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC001437469947 1065557561 /nfs/dbraw/zinc/55/75/61/1065557561.db2.gz DZISGXKCWCTERI-KRWDZBQOSA-N 0 0 450.560 4.715 20 0 JJADRN Cc1ccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)ccc2c1 ZINC001360567310 1065557898 /nfs/dbraw/zinc/55/78/98/1065557898.db2.gz DOXFLHUTRBVRCX-UHFFFAOYSA-N 0 0 452.352 4.797 20 0 JJADRN COC[C@H](C)[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I ZINC001360567434 1065558565 /nfs/dbraw/zinc/55/85/65/1065558565.db2.gz HGNJQVWTSVVNIK-KSMMKXTCSA-N 0 0 455.311 4.555 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001545907136 1065558672 /nfs/dbraw/zinc/55/86/72/1065558672.db2.gz AVNIXJPQHXIKRH-OFNKIYASSA-N 0 0 495.672 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCCN(C)c1ccccc1F ZINC001545907138 1065558680 /nfs/dbraw/zinc/55/86/80/1065558680.db2.gz AWDAMLDMQFJPSN-DENIHFKCSA-N 0 0 470.637 4.631 20 0 JJADRN 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C[C@H](Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360588185 1065591752 /nfs/dbraw/zinc/59/17/52/1065591752.db2.gz XJOQEASLISHGLW-QZTJIDSGSA-N 0 0 475.609 4.628 20 0 JJADRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001545908842 1065592219 /nfs/dbraw/zinc/59/22/19/1065592219.db2.gz OSMXQRLHEADZST-MYUZEXMDSA-N 0 0 455.558 4.822 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1)c1nccs1 ZINC001360588475 1065592395 /nfs/dbraw/zinc/59/23/95/1065592395.db2.gz XBBYCIPLHXUUMY-JKSUJKDBSA-N 0 0 464.060 4.957 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1OCCC(C)C ZINC001360588653 1065592753 /nfs/dbraw/zinc/59/27/53/1065592753.db2.gz AYXPWHASNYKVDR-LJQANCHMSA-N 0 0 450.626 4.663 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)Nc2ccc(C)c(OCCC(C)C)c2)N(C(=O)OCc2ccccc2)C1 ZINC001360588691 1065593242 /nfs/dbraw/zinc/59/32/42/1065593242.db2.gz CJQTUDGVNVSEQL-DHIUTWEWSA-N 0 0 454.567 4.785 20 0 JJADRN Cc1c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cccc1S(=O)(=O)NC(C)(C)C ZINC001360588946 1065593282 /nfs/dbraw/zinc/59/32/82/1065593282.db2.gz LVYBTVRDTBWPAV-HNNXBMFYSA-N 0 0 453.608 4.930 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C ZINC001360588966 1065593474 /nfs/dbraw/zinc/59/34/74/1065593474.db2.gz MSQZGLZOCMPQCI-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3C)cc2)nc1 ZINC001360589275 1065593739 /nfs/dbraw/zinc/59/37/39/1065593739.db2.gz XVQGSABTZCYBTE-UHFFFAOYSA-N 0 0 453.564 4.820 20 0 JJADRN Cc1cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)nc(-c2ccc(Cl)cc2)n1 ZINC001360589595 1065593930 /nfs/dbraw/zinc/59/39/30/1065593930.db2.gz LBNIEZDYEJXQAL-UHFFFAOYSA-N 0 0 454.317 4.781 20 0 JJADRN Cc1c(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cccc1S(=O)(=O)NC(C)(C)C ZINC001360589059 1065593953 /nfs/dbraw/zinc/59/39/53/1065593953.db2.gz QPGCIOLWIOGBLR-UHFFFAOYSA-N 0 0 450.429 4.621 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC2)c1 ZINC001437706505 1065594053 /nfs/dbraw/zinc/59/40/53/1065594053.db2.gz YHZXGJNLNXGYLR-OAQYLSRUSA-N 0 0 458.599 4.564 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)c1nccs1 ZINC001360590098 1065595125 /nfs/dbraw/zinc/59/51/25/1065595125.db2.gz BZVYLHQMZSAXFC-BZSNNMDCSA-N 0 0 490.674 4.614 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)nc1 ZINC001437716457 1065595263 /nfs/dbraw/zinc/59/52/63/1065595263.db2.gz NRXGOLNYGQFMBG-UHFFFAOYSA-N 0 0 453.612 4.933 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)Oc1ccccc1 ZINC001360590439 1065595633 /nfs/dbraw/zinc/59/56/33/1065595633.db2.gz JKQWGKVVWWVMBO-SBHAEUEKSA-N 0 0 487.670 4.759 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(F)(F)F)Oc1ccccc1F ZINC001360590808 1065596749 /nfs/dbraw/zinc/59/67/49/1065596749.db2.gz QUUSWLJWDZBWQL-HDMKZQKVSA-N 0 0 458.500 4.802 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C)Oc1cccc(F)c1 ZINC001360590864 1065596952 /nfs/dbraw/zinc/59/69/52/1065596952.db2.gz RPHNTFQWCUYGKW-UEXGIBASSA-N 0 0 473.593 4.945 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C(C)C)C3)cc2)c1 ZINC001437731594 1065597236 /nfs/dbraw/zinc/59/72/36/1065597236.db2.gz VPOYFVBPALGHRN-MHZLTWQESA-N 0 0 456.586 4.909 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCNC(=O)C1CCC1)c1ccccc1 ZINC001360591097 1065597905 /nfs/dbraw/zinc/59/79/05/1065597905.db2.gz WTFHGZQWJQMCLT-TUACAJSNSA-N 0 0 481.685 4.743 20 0 JJADRN O=C(c1cnc(-c2ccccc2Cl)nc1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001437741294 1065598146 /nfs/dbraw/zinc/59/81/46/1065598146.db2.gz CWVFNRUFNNADPE-IBGZPJMESA-N 0 0 458.743 4.773 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)F)Oc1ccccc1F ZINC001360591226 1065598572 /nfs/dbraw/zinc/59/85/72/1065598572.db2.gz ZCCHZSRQSMBCLI-JXXFODFXSA-N 0 0 454.537 4.895 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC(F)(F)CC2)c1 ZINC001437746088 1065598883 /nfs/dbraw/zinc/59/88/83/1065598883.db2.gz WXNLWTASPQZJQK-UHFFFAOYSA-N 0 0 450.551 4.943 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCC(F)(F)CC2)cc1OC ZINC001437745240 1065598947 /nfs/dbraw/zinc/59/89/47/1065598947.db2.gz RMXVRHIPYWQTMT-UHFFFAOYSA-N 0 0 455.505 4.877 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N3C[C@@H](c4cccc(Cl)c4)OCC3(C)C)n2)cc1 ZINC001437746758 1065599266 /nfs/dbraw/zinc/59/92/66/1065599266.db2.gz OOXLJRBOQRMPSG-FQEVSTJZSA-N 0 0 455.942 4.710 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C)c1ccc(F)cc1F ZINC001437746296 1065599346 /nfs/dbraw/zinc/59/93/46/1065599346.db2.gz NSTQJCKKHNHPNL-NHCUHLMSSA-N 0 0 450.913 4.564 20 0 JJADRN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCCc2cc(Cl)ccc21 ZINC001437749727 1065599932 /nfs/dbraw/zinc/59/99/32/1065599932.db2.gz OVVYWVYCSAPURX-MRXNPFEDSA-N 0 0 459.420 4.578 20 0 JJADRN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001437748935 1065599966 /nfs/dbraw/zinc/59/99/66/1065599966.db2.gz UHCJTTFEFWMDKF-MRXNPFEDSA-N 0 0 450.201 4.960 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001437751007 1065600716 /nfs/dbraw/zinc/60/07/16/1065600716.db2.gz BRFJJQDRGUZHET-GOEBONIOSA-N 0 0 463.374 4.863 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)nc2)c1 ZINC001437752121 1065600791 /nfs/dbraw/zinc/60/07/91/1065600791.db2.gz OGHBZOYAEDEIIM-FQEVSTJZSA-N 0 0 458.562 4.942 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3cccc(NC(=O)OC(C)(C)C)c3C)n2)cc1 ZINC001437770471 1065602985 /nfs/dbraw/zinc/60/29/85/1065602985.db2.gz UYXSMEANEXHRTD-UHFFFAOYSA-N 0 0 452.511 4.972 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1 ZINC001437772236 1065603801 /nfs/dbraw/zinc/60/38/01/1065603801.db2.gz WAAVQGXXIWMWPL-PAXLWEDBSA-N 0 0 475.814 4.935 20 0 JJADRN COC(=O)CC1(CC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)CCCC1 ZINC001437777796 1065604728 /nfs/dbraw/zinc/60/47/28/1065604728.db2.gz ZONXZMYKSVBPCJ-UHFFFAOYSA-N 0 0 456.230 4.939 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)c1cn2c(Br)cnc2s1 ZINC001437783140 1065605333 /nfs/dbraw/zinc/60/53/33/1065605333.db2.gz UHBZPRWOHVMEQR-UHFFFAOYSA-N 0 0 452.131 4.721 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2nc(Br)c3ccccn32)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437789527 1065606064 /nfs/dbraw/zinc/60/60/64/1065606064.db2.gz DPWPYYOUYCJVOW-HZPDHXFCSA-N 0 0 479.419 4.642 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437789645 1065606086 /nfs/dbraw/zinc/60/60/86/1065606086.db2.gz FTXOQEPRCODLSN-OCCSQVGLSA-N 0 0 477.346 4.816 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437789137 1065606232 /nfs/dbraw/zinc/60/62/32/1065606232.db2.gz AKAQUVVLHBHKAP-UEVCKROQSA-N 0 0 460.615 4.790 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001437790950 1065606827 /nfs/dbraw/zinc/60/68/27/1065606827.db2.gz JQTJGANWOAIKOR-GMQQQROESA-N 0 0 457.615 4.827 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001437790551 1065606840 /nfs/dbraw/zinc/60/68/40/1065606840.db2.gz GKCMYBSWUXZIAD-FOIQADDNSA-N 0 0 464.557 4.555 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC[C@@H]3c3cccc(C)c3)C2)cc1 ZINC001360595659 1065607576 /nfs/dbraw/zinc/60/75/76/1065607576.db2.gz BSKIBCZUUIVTHP-ILBGXUMGSA-N 0 0 454.636 4.848 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437792143 1065607696 /nfs/dbraw/zinc/60/76/96/1065607696.db2.gz MZDUUZITEXWFBM-NFBKMPQASA-N 0 0 471.642 4.858 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c1Cl ZINC001437792422 1065607726 /nfs/dbraw/zinc/60/77/26/1065607726.db2.gz HKQWDAJZKJMYLS-UHFFFAOYSA-N 0 0 455.248 4.890 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001360595882 1065608408 /nfs/dbraw/zinc/60/84/08/1065608408.db2.gz JICQOCFFFHECMF-OXJNMPFZSA-N 0 0 459.384 4.574 20 0 JJADRN COCCCOc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1C ZINC001437795849 1065609356 /nfs/dbraw/zinc/60/93/56/1065609356.db2.gz WLUYPCSBZQBMTG-DENIHFKCSA-N 0 0 462.631 4.956 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)c1Cl ZINC001437797769 1065609968 /nfs/dbraw/zinc/60/99/68/1065609968.db2.gz QRFBWHLBRWUKAC-UHFFFAOYSA-N 0 0 458.301 4.609 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1)c1ccc(F)cc1 ZINC001437797562 1065610045 /nfs/dbraw/zinc/61/00/45/1065610045.db2.gz JJHCGBHOFZLXMT-TZIWHRDSSA-N 0 0 458.411 4.742 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1Cl ZINC001437798793 1065610971 /nfs/dbraw/zinc/61/09/71/1065610971.db2.gz UBJPYGLYKAKJNT-UHFFFAOYSA-N 0 0 454.306 4.789 20 0 JJADRN C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)c1cc(F)c(Br)cc1F ZINC001437812616 1065612703 /nfs/dbraw/zinc/61/27/03/1065612703.db2.gz RNFFMWHJKIPCEB-SNVBAGLBSA-N 0 0 456.287 4.960 20 0 JJADRN C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813353 1065613208 /nfs/dbraw/zinc/61/32/08/1065613208.db2.gz SYCZNVFDFZDYCT-BFUOFWGJSA-N 0 0 455.368 4.695 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC001360597502 1065613833 /nfs/dbraw/zinc/61/38/33/1065613833.db2.gz MAWLTOJFHCKVGE-SFHVURJKSA-N 0 0 456.633 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 ZINC001437819335 1065614917 /nfs/dbraw/zinc/61/49/17/1065614917.db2.gz PGQUTYBHVQMTCT-SFHVURJKSA-N 0 0 456.612 4.568 20 0 JJADRN O=C(Nc1cccc(Sc2ccccc2)c1)c1cc(Br)ccc1-n1cnnn1 ZINC001437820192 1065615707 /nfs/dbraw/zinc/61/57/07/1065615707.db2.gz MJSXYTJLFFIOQM-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN O=C(COc1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CC1)Nc1ccccc1F ZINC001360597899 1065615912 /nfs/dbraw/zinc/61/59/12/1065615912.db2.gz TVNKGGIPJIBNIW-UHFFFAOYSA-N 0 0 452.913 4.958 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821978 1065616017 /nfs/dbraw/zinc/61/60/17/1065616017.db2.gz CYVVDROAFIEECR-KRWDZBQOSA-N 0 0 452.904 4.790 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Sc3ccccc3)c2)cc1 ZINC001437826116 1065616060 /nfs/dbraw/zinc/61/60/60/1065616060.db2.gz OKCGVEPMUUWNKJ-QHCPKHFHSA-N 0 0 452.601 4.938 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001360598026 1065616774 /nfs/dbraw/zinc/61/67/74/1065616774.db2.gz VDYFAOKNEJJGBM-LJQANCHMSA-N 0 0 458.587 4.865 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001437842241 1065618457 /nfs/dbraw/zinc/61/84/57/1065618457.db2.gz WRYURNUKJNBXQX-MGPUTAFESA-N 0 0 474.786 4.950 20 0 JJADRN Cc1ncccc1[C@H](C)OC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001437866197 1065621604 /nfs/dbraw/zinc/62/16/04/1065621604.db2.gz WBYXNOFPSFHRBL-HNNXBMFYSA-N 0 0 452.370 4.543 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2cc(Cl)n3nc(C)cc3n2)nnc1-c1ccccc1 ZINC001437862073 1065621797 /nfs/dbraw/zinc/62/17/97/1065621797.db2.gz KJCCYBZQWQHXEC-AWEZNQCLSA-N 0 0 455.975 4.651 20 0 JJADRN Cc1ccc(/C=C/C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC001360600424 1065622409 /nfs/dbraw/zinc/62/24/09/1065622409.db2.gz DSMVWCGOEDHLHF-AWNIVKPZSA-N 0 0 450.336 4.734 20 0 JJADRN Cc1nc(C)c(CC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)s1 ZINC001360600423 1065622425 /nfs/dbraw/zinc/62/24/25/1065622425.db2.gz DQFGXJGDXSBLDA-UHFFFAOYSA-N 0 0 458.381 4.634 20 0 JJADRN Cc1nc(Cl)ccc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001360600244 1065622497 /nfs/dbraw/zinc/62/24/97/1065622497.db2.gz CDYWYHPUQJPATK-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN COCC1(C(=O)NCc2cccc(-c3cccc(C)c3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360600291 1065622573 /nfs/dbraw/zinc/62/25/73/1065622573.db2.gz IBWGGSXSHWXLJF-UHFFFAOYSA-N 0 0 452.595 4.942 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC001437869483 1065622627 /nfs/dbraw/zinc/62/26/27/1065622627.db2.gz CXNCGYDBHVUCGF-QFIPXVFZSA-N 0 0 451.954 4.822 20 0 JJADRN COc1cc(NC(=O)c2cnn(Cc3ccccc3)c2Br)ccc1OC(F)F ZINC001437871286 1065622694 /nfs/dbraw/zinc/62/26/94/1065622694.db2.gz IZPWZOGEBGWZCH-UHFFFAOYSA-N 0 0 452.255 4.556 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ncc1Br ZINC001437870571 1065622703 /nfs/dbraw/zinc/62/27/03/1065622703.db2.gz FCAWCXSLXOEHCQ-QGZVFWFLSA-N 0 0 451.748 4.579 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)c12 ZINC001437871095 1065622733 /nfs/dbraw/zinc/62/27/33/1065622733.db2.gz MOLBAFYKTLWNMU-IEBWSBKVSA-N 0 0 475.609 4.695 20 0 JJADRN C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001360601001 1065622968 /nfs/dbraw/zinc/62/29/68/1065622968.db2.gz WVIFSNFDRABETN-PBHICJAKSA-N 0 0 458.946 4.571 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001437872697 1065623179 /nfs/dbraw/zinc/62/31/79/1065623179.db2.gz QBWOCLODHDNDJK-QZTJIDSGSA-N 0 0 465.616 4.821 20 0 JJADRN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC001437872531 1065623235 /nfs/dbraw/zinc/62/32/35/1065623235.db2.gz LTNLPCGVVZALFZ-HXUWFJFHSA-N 0 0 451.355 4.910 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001437874149 1065623344 /nfs/dbraw/zinc/62/33/44/1065623344.db2.gz UCDSREKQBUVFNF-IFMALSPDSA-N 0 0 481.572 4.757 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545910579 1065624271 /nfs/dbraw/zinc/62/42/71/1065624271.db2.gz BSBOOIFUJBMUGA-DRMXPCRNSA-N 0 0 474.675 4.651 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1Cl ZINC001437887175 1065625079 /nfs/dbraw/zinc/62/50/79/1065625079.db2.gz WHDQZVBRQQFFDE-CQSZACIVSA-N 0 0 450.290 4.826 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC(C)(C)c1ccccn1 ZINC001545910633 1065625091 /nfs/dbraw/zinc/62/50/91/1065625091.db2.gz FBMUUGPBJAJLJW-HSZRJFAPSA-N 0 0 490.652 4.537 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)cc1 ZINC001437884562 1065625162 /nfs/dbraw/zinc/62/51/62/1065625162.db2.gz GXIIROKWORRCBH-JKSBSHDWSA-N 0 0 458.505 4.894 20 0 JJADRN O=C(Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1)c1sc(N2CCCC2)nc1Cl ZINC001437892946 1065625897 /nfs/dbraw/zinc/62/58/97/1065625897.db2.gz HGOYFRGPHLROSZ-LBPRGKRZSA-N 0 0 454.379 4.912 20 0 JJADRN O=C(Nc1ccc(Nc2ccccc2)cn1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001437894815 1065626695 /nfs/dbraw/zinc/62/66/95/1065626695.db2.gz NKOFHJVCZXNJGG-KRWDZBQOSA-N 0 0 454.452 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)(C(F)(F)F)CC1 ZINC001437897782 1065627519 /nfs/dbraw/zinc/62/75/19/1065627519.db2.gz OTNJJTBMFDDQRW-IXDOHACOSA-N 0 0 458.908 4.674 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cc1 ZINC001437898791 1065627572 /nfs/dbraw/zinc/62/75/72/1065627572.db2.gz YHJMBTBKELIQFC-HXUWFJFHSA-N 0 0 450.398 4.505 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cn2)cc1 ZINC001437897067 1065627682 /nfs/dbraw/zinc/62/76/82/1065627682.db2.gz UGNLWWZVYBNCAV-GOSISDBHSA-N 0 0 450.564 4.641 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492597451 1065628082 /nfs/dbraw/zinc/62/80/82/1065628082.db2.gz YNNZJWNGXUGGLD-LEWJYISDSA-N 0 0 494.640 4.553 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492597452 1065628630 /nfs/dbraw/zinc/62/86/30/1065628630.db2.gz YNNZJWNGXUGGLD-NHCUHLMSSA-N 0 0 494.640 4.553 20 0 JJADRN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(Br)c(Cl)c1F ZINC001437909300 1065629958 /nfs/dbraw/zinc/62/99/58/1065629958.db2.gz JXLCBRMUGQAZOC-OAHLLOKOSA-N 0 0 456.739 4.867 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC001437911781 1065630072 /nfs/dbraw/zinc/63/00/72/1065630072.db2.gz NYTMXFXXJYZDRR-HSZRJFAPSA-N 0 0 454.567 4.588 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC001437911787 1065630087 /nfs/dbraw/zinc/63/00/87/1065630087.db2.gz NYTMXFXXJYZDRR-QHCPKHFHSA-N 0 0 454.567 4.588 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC001437908819 1065630099 /nfs/dbraw/zinc/63/00/99/1065630099.db2.gz TYXAGSWUKHGCNR-UHFFFAOYSA-N 0 0 454.189 4.878 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)c1 ZINC001437929410 1065631786 /nfs/dbraw/zinc/63/17/86/1065631786.db2.gz OZEQMTBYOTXOEV-UHFFFAOYSA-N 0 0 456.153 4.615 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)OC)c1 ZINC001437932968 1065632507 /nfs/dbraw/zinc/63/25/07/1065632507.db2.gz GNHWKXRBOZZMRC-HSZRJFAPSA-N 0 0 453.970 4.921 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 ZINC001360606985 1065632609 /nfs/dbraw/zinc/63/26/09/1065632609.db2.gz GOUZIEZFCNHJDL-ZDUSSCGKSA-N 0 0 484.464 4.776 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)OC)c1 ZINC001437936919 1065632550 /nfs/dbraw/zinc/63/25/50/1065632550.db2.gz RHAUROMYZPZGKS-LJQANCHMSA-N 0 0 451.306 4.687 20 0 JJADRN O=C(N1CCc2ccc(F)c(Br)c2C1)C1(c2ccc(Br)cc2)CC1 ZINC001437936933 1065632588 /nfs/dbraw/zinc/63/25/88/1065632588.db2.gz RMSIIYGAXUZPAV-UHFFFAOYSA-N 0 0 453.149 4.967 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@H]2COc3cccc(C)c3C2)cc1Br ZINC001437935326 1065632621 /nfs/dbraw/zinc/63/26/21/1065632621.db2.gz DVXVXQGFTWUJCB-CYBMUJFWSA-N 0 0 453.174 4.816 20 0 JJADRN Cc1ccc(CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C(C)(C)C)cc1 ZINC001437933090 1065632644 /nfs/dbraw/zinc/63/26/44/1065632644.db2.gz STEMRYQPIDYMLU-UHFFFAOYSA-N 0 0 457.368 4.571 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001360607425 1065633485 /nfs/dbraw/zinc/63/34/85/1065633485.db2.gz JOGXGIXCNSABLZ-MRXNPFEDSA-N 0 0 459.978 4.989 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)C(F)(F)F ZINC001545911875 1065634241 /nfs/dbraw/zinc/63/42/41/1065634241.db2.gz ULJBMEQECKVAPH-JPYJTQIMSA-N 0 0 456.512 4.656 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](CC)Cc3ccc(Br)cc3)CC2=O)cc1 ZINC001437947002 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ZKVVGXKKPDEPHH-JZXOWHBKSA-N 0 0 461.010 4.533 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C ZINC001360609052 1065638868 /nfs/dbraw/zinc/63/88/68/1065638868.db2.gz YAQJUDBFGZSPFH-GJZGRUSLSA-N 0 0 496.425 4.996 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3ccccc3)s2)cc1Br ZINC001437968950 1065639511 /nfs/dbraw/zinc/63/95/11/1065639511.db2.gz PLMWMCMTJVHKBF-UHFFFAOYSA-N 0 0 450.379 4.511 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC001360609219 1065639634 /nfs/dbraw/zinc/63/96/34/1065639634.db2.gz AXAAKNPZNRZECI-FQEVSTJZSA-N 0 0 483.657 4.544 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001360609441 1065640474 /nfs/dbraw/zinc/64/04/74/1065640474.db2.gz FNEXUJARMZVDBA-DBXWQHBBSA-N 0 0 487.620 4.943 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001360609416 1065640540 /nfs/dbraw/zinc/64/05/40/1065640540.db2.gz FEPZAOYXGUTOGX-QGZVFWFLSA-N 0 0 498.578 4.948 20 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ZINC001437988280 1065642341 /nfs/dbraw/zinc/64/23/41/1065642341.db2.gz NXPCNSXHXUOCJY-JKTFDMFLSA-N 0 0 452.334 4.787 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4)CCC3)c2)cc1 ZINC001437996939 1065643125 /nfs/dbraw/zinc/64/31/25/1065643125.db2.gz GAPUFDGAQNDIEC-UHFFFAOYSA-N 0 0 452.551 4.768 20 0 JJADRN Cc1cccc2c1CCC[C@@H]2NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001437996486 1065643277 /nfs/dbraw/zinc/64/32/77/1065643277.db2.gz AEXLMECZAGZCHP-IBGZPJMESA-N 0 0 450.398 4.504 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001360610025 1065643892 /nfs/dbraw/zinc/64/38/92/1065643892.db2.gz DMMBJEYCGVFLJG-IQGLISFBSA-N 0 0 489.661 4.502 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001360610141 1065643963 /nfs/dbraw/zinc/64/39/63/1065643963.db2.gz FLEZSAIJQVVTTN-RTWAWAEBSA-N 0 0 478.641 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NCC2CCc3ccccc3CC2)(C(F)(F)F)CC1 ZINC001438000420 1065644070 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MYZJYIHXXBMCPR-HRAATJIYSA-N 0 0 468.520 4.756 20 0 JJADRN O=C(/C=C\c1cc(Cl)cc(Cl)c1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001438823745 1065756026 /nfs/dbraw/zinc/75/60/26/1065756026.db2.gz MWUQVZBVRIWKMF-QEXQGBMQSA-N 0 0 454.151 4.839 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)C1(C)C ZINC001360729221 1065756679 /nfs/dbraw/zinc/75/66/79/1065756679.db2.gz DMISPCCLNHLGAW-KSZLIROESA-N 0 0 458.521 4.933 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1(C)C ZINC001360729973 1065757089 /nfs/dbraw/zinc/75/70/89/1065757089.db2.gz RETYCNRKGVQSNM-UUFXTFJOSA-N 0 0 456.671 4.838 20 0 JJADRN O=C(c1cc(Cl)ccc1I)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001438845483 1065757213 /nfs/dbraw/zinc/75/72/13/1065757213.db2.gz UZQDWDNTLVZMLC-HNNXBMFYSA-N 0 0 452.723 4.569 20 0 JJADRN O=C(c1cc(Br)cc(Br)c1)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001438840974 1065757316 /nfs/dbraw/zinc/75/73/16/1065757316.db2.gz MAXXDLNDEKRAKT-QGZVFWFLSA-N 0 0 450.174 4.836 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(CC(F)(F)F)cc3)cc2)c1C ZINC001360730121 1065757576 /nfs/dbraw/zinc/75/75/76/1065757576.db2.gz WWUPFOJHUCREQN-UHFFFAOYSA-N 0 0 459.468 4.952 20 0 JJADRN O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001438850498 1065757657 /nfs/dbraw/zinc/75/76/57/1065757657.db2.gz SPKUCFXIXAFKFN-MRXNPFEDSA-N 0 0 450.479 4.748 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1cccc(Br)c1 ZINC001360730480 1065757680 /nfs/dbraw/zinc/75/76/80/1065757680.db2.gz KDJAPAPQNRJIMG-UHFFFAOYSA-N 0 0 454.040 4.800 20 0 JJADRN COc1ccc(CCC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1F ZINC001360730704 1065758139 /nfs/dbraw/zinc/75/81/39/1065758139.db2.gz UGWPYGLSCQJZKL-UHFFFAOYSA-N 0 0 451.214 4.504 20 0 JJADRN COCc1c2ccccc2oc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730841 1065758233 /nfs/dbraw/zinc/75/82/33/1065758233.db2.gz ZEWZUEWUPUHVRG-UHFFFAOYSA-N 0 0 459.218 4.930 20 0 JJADRN C[C@@](O)(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(F)cc1 ZINC001360730936 1065758350 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HTYJHRSFCKLREN-HMFYCAOWSA-N 0 0 458.569 4.527 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001438863522 1065759433 /nfs/dbraw/zinc/75/94/33/1065759433.db2.gz PVQYKQXZXOGZJD-MHECFPHRSA-N 0 0 457.412 4.517 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001438860489 1065759478 /nfs/dbraw/zinc/75/94/78/1065759478.db2.gz KNWSORAQQGFSTJ-SXDGJLEOSA-N 0 0 450.623 4.778 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](Cn2ccnc2)c2ccccc2)c2ccccc2)cc1 ZINC001438864460 1065759521 /nfs/dbraw/zinc/75/95/21/1065759521.db2.gz XHXXJMUCFUTXQI-CLJLJLNGSA-N 0 0 452.558 4.610 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001438860475 1065759906 /nfs/dbraw/zinc/75/99/06/1065759906.db2.gz KNWSORAQQGFSTJ-JWZKTCGFSA-N 0 0 450.623 4.778 20 0 JJADRN C[C@](O)(Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1)c1ccsc1 ZINC001360731809 1065759801 /nfs/dbraw/zinc/75/98/01/1065759801.db2.gz MNDCEBWQDBJYNZ-CYFREDJKSA-N 0 0 460.594 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O=C(CCCNC(=O)OCc1ccccc1)NCc1ccc2ccc(Br)cc2c1 ZINC001438988596 1065774206 /nfs/dbraw/zinc/77/42/06/1065774206.db2.gz LOMHGHFLCCOXBT-UHFFFAOYSA-N 0 0 455.352 4.925 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001360740942 1065774707 /nfs/dbraw/zinc/77/47/07/1065774707.db2.gz LLDUMKWQMBFKTE-NJHFVCTFSA-N 0 0 488.551 4.637 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[C@H](c4cccc(Cl)c4)C3(C)C)CC2=O)c1 ZINC001438994391 1065775461 /nfs/dbraw/zinc/77/54/61/1065775461.db2.gz BLHLPSIEFHMTCE-VGOFRKELSA-N 0 0 456.970 4.505 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@@]1(O)CCSC1 ZINC001360741581 1065775680 /nfs/dbraw/zinc/77/56/80/1065775680.db2.gz QRXVFDHWKMFFLE-BTYIYWSLSA-N 0 0 488.551 4.594 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C(F)(F)F)CC3)c3cnn(C(C)C)c3n2)s1 ZINC001438996997 1065775982 /nfs/dbraw/zinc/77/59/82/1065775982.db2.gz ADPMYZKVSXVFOZ-GOSISDBHSA-N 0 0 452.502 4.843 20 0 JJADRN 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C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360742168 1065777200 /nfs/dbraw/zinc/77/72/00/1065777200.db2.gz VTKOIFDFZRYSRE-MRXNPFEDSA-N 0 0 490.505 4.765 20 0 JJADRN COc1cc(CCC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1 ZINC001439012918 1065777591 /nfs/dbraw/zinc/77/75/91/1065777591.db2.gz LPMDPKFQPOKFNP-LJQANCHMSA-N 0 0 454.567 4.682 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC001439014733 1065777648 /nfs/dbraw/zinc/77/76/48/1065777648.db2.gz NWOIXDRICNNKNR-UHFFFAOYSA-N 0 0 454.548 4.787 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC=CCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360742341 1065777588 /nfs/dbraw/zinc/77/75/88/1065777588.db2.gz XLQXKLFNZIJRMI-IBGZPJMESA-N 0 0 483.588 4.891 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c2ccccc2)cc1 ZINC001360742520 1065778269 /nfs/dbraw/zinc/77/82/69/1065778269.db2.gz YESLTMGLGQTMTK-QFQXNSOFSA-N 0 0 457.574 4.720 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c2ccccc2)cc1 ZINC001360742519 1065778297 /nfs/dbraw/zinc/77/82/97/1065778297.db2.gz YESLTMGLGQTMTK-LVXARBLLSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 ZINC001360743595 1065779255 /nfs/dbraw/zinc/77/92/55/1065779255.db2.gz GPLXDXICXUAFBL-ZWOKBUDYSA-N 0 0 452.521 4.854 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)c1cccc(C(F)(F)F)c1 ZINC001439043334 1065779848 /nfs/dbraw/zinc/77/98/48/1065779848.db2.gz FNWLWSBKPNAISX-OAQYLSRUSA-N 0 0 458.436 4.632 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC001439045335 1065779893 /nfs/dbraw/zinc/77/98/93/1065779893.db2.gz UODCSRFPVLUFMA-AUUYWEPGSA-N 0 0 457.876 4.708 20 0 JJADRN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc2ncc(I)n2c1 ZINC001360743639 1065779798 /nfs/dbraw/zinc/77/97/98/1065779798.db2.gz ZRWBQUKULBVGPO-UHFFFAOYSA-N 0 0 454.267 4.749 20 0 JJADRN 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COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c(F)cc(F)cc2F)c1 ZINC001439149172 1065793006 /nfs/dbraw/zinc/79/30/06/1065793006.db2.gz LUKNCWMXSNWNSH-UHFFFAOYSA-N 0 0 451.448 4.954 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2C)CCS1 ZINC001360749746 1065793076 /nfs/dbraw/zinc/79/30/76/1065793076.db2.gz IDSYPKFJILSXFN-VWNVYAMZSA-N 0 0 462.635 4.808 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@H]3CCCN3CC(F)(F)F)cc12 ZINC001439156120 1065793394 /nfs/dbraw/zinc/79/33/94/1065793394.db2.gz WOOOBIYHHFKQFC-OAHLLOKOSA-N 0 0 456.921 4.805 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)cc(Cl)c1F ZINC001439159515 1065793408 /nfs/dbraw/zinc/79/34/08/1065793408.db2.gz ZLBMLONBBZECFN-CYBMUJFWSA-N 0 0 459.370 4.798 20 0 JJADRN CN(C)[C@@H](CCNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(F)(F)F ZINC001439160240 1065793494 /nfs/dbraw/zinc/79/34/94/1065793494.db2.gz LPQPJMWAIAIIJH-ZWKOTPCHSA-N 0 0 459.306 4.568 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C 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HSXCPUBHVHUINY-UHFFFAOYSA-N 0 0 458.137 4.643 20 0 JJADRN COc1cc(C(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc(OC)c1OCc1ccccc1 ZINC001439179535 1065795033 /nfs/dbraw/zinc/79/50/33/1065795033.db2.gz OHBLPDXULHFPRF-XLIONFOSSA-N 0 0 453.457 4.513 20 0 JJADRN Cc1c(NC(=O)COc2ccccc2F)cc(I)cc1C(F)(F)F ZINC001439179844 1065795058 /nfs/dbraw/zinc/79/50/58/1065795058.db2.gz IXINTNDVJASMAE-UHFFFAOYSA-N 0 0 453.173 4.775 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCOCC(F)(F)C(F)F ZINC001360750369 1065795199 /nfs/dbraw/zinc/79/51/99/1065795199.db2.gz MABCOUSIQYORID-SOUVJXGZSA-N 0 0 494.530 4.804 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1nccn1C(F)F ZINC001360750543 1065795216 /nfs/dbraw/zinc/79/52/16/1065795216.db2.gz XVXOFRQDILEZAQ-UPCLLVRISA-N 0 0 492.546 4.839 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC001439183874 1065795581 /nfs/dbraw/zinc/79/55/81/1065795581.db2.gz GZBNPEVVOZBPCA-FQEVSTJZSA-N 0 0 451.320 4.955 20 0 JJADRN 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Cc1cc2nc(C)c(CCC(=O)Nc3cc(C(=O)NCC(C)(C)C)ccc3Cl)c(C)n2n1 ZINC001439204168 1065797838 /nfs/dbraw/zinc/79/78/38/1065797838.db2.gz JPMMYGDRVBQKIX-UHFFFAOYSA-N 0 0 455.990 4.655 20 0 JJADRN COCCOCc1cc(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)ccc1F ZINC001439205416 1065798373 /nfs/dbraw/zinc/79/83/73/1065798373.db2.gz QLRZXXIVRIJRSQ-UHFFFAOYSA-N 0 0 450.938 4.670 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1CCNC(=O)C(C)(C)C ZINC001360753299 1065798861 /nfs/dbraw/zinc/79/88/61/1065798861.db2.gz ANMVWGMWHNUQSF-INIZCTEOSA-N 0 0 476.046 4.932 20 0 JJADRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001360752986 1065798984 /nfs/dbraw/zinc/79/89/84/1065798984.db2.gz WHMDJYCIKYKGND-WOJBJXKFSA-N 0 0 450.505 4.876 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(Cl)cccc2OCC2CC2)c(Cl)cc1NC(C)=O ZINC001439210805 1065799007 /nfs/dbraw/zinc/79/90/07/1065799007.db2.gz RBNKDORPDFSJRD-UHFFFAOYSA-N 0 0 451.306 4.780 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NCc1cc(C(F)(F)F)ccc1Br)C2 ZINC001439214283 1065799401 /nfs/dbraw/zinc/79/94/01/1065799401.db2.gz JADITWWDQJOLKZ-IBGZPJMESA-N 0 0 456.258 4.564 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccco2)n1Cc1ncnn1C(C)(C)C ZINC001360753358 1065799482 /nfs/dbraw/zinc/79/94/82/1065799482.db2.gz BRCSXZXRAYIUIT-MRXNPFEDSA-N 0 0 469.977 4.696 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1 ZINC001439213452 1065799481 /nfs/dbraw/zinc/79/94/81/1065799481.db2.gz IEYOFULPPMXUPI-UHFFFAOYSA-N 0 0 458.274 4.685 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001439215695 1065799822 /nfs/dbraw/zinc/79/98/22/1065799822.db2.gz BYLPZAVDMRSGBT-ZYFHCTRVSA-N 0 0 465.432 4.736 20 0 JJADRN O=C(NCc1nc(Cc2ccccc2F)no1)C1(c2cccc(Br)c2)CCCC1 ZINC001439218885 1065799915 /nfs/dbraw/zinc/79/99/15/1065799915.db2.gz VWRTUGZFIRAHQM-UHFFFAOYSA-N 0 0 458.331 4.690 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001439219610 1065800125 /nfs/dbraw/zinc/80/01/25/1065800125.db2.gz RAJCIXYMUWCBAP-HUUCEWRRSA-N 0 0 453.505 4.820 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CCOCC2)n1CCc1cccnc1 ZINC001360753817 1065800471 /nfs/dbraw/zinc/80/04/71/1065800471.db2.gz JHNBIXCZDVGYSH-GOSISDBHSA-N 0 0 455.990 4.572 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H]1CC=CCC1 ZINC001360753659 1065800719 /nfs/dbraw/zinc/80/07/19/1065800719.db2.gz GRBSXGVIFGPLIX-DLBZAZTESA-N 0 0 491.974 4.921 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360753999 1065802251 /nfs/dbraw/zinc/80/22/51/1065802251.db2.gz MHSGPRMZETZHHH-OYHNWAKOSA-N 0 0 481.428 4.502 20 0 JJADRN CCc1cc(C(=O)N(CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2c(CC(C)(C)C)noc2n1 ZINC001439249336 1065804517 /nfs/dbraw/zinc/80/45/17/1065804517.db2.gz MIKOJMCJIOUBTM-QGZVFWFLSA-N 0 0 458.603 4.845 20 0 JJADRN C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CC=CCC1)N1CCOCC1 ZINC001360754502 1065805659 /nfs/dbraw/zinc/80/56/59/1065805659.db2.gz VVPWKTWQCXNZMX-QHAWAJNXSA-N 0 0 474.049 4.585 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001439264032 1065805843 /nfs/dbraw/zinc/80/58/43/1065805843.db2.gz IAUZYADVTGUHBI-HNNXBMFYSA-N 0 0 453.917 4.819 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1Cl ZINC001439265848 1065805919 /nfs/dbraw/zinc/80/59/19/1065805919.db2.gz YDQGUHJCGSSIFZ-AWEZNQCLSA-N 0 0 450.894 4.513 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CC1([S@@](C)=O)CCC1 ZINC001360754615 1065806646 /nfs/dbraw/zinc/80/66/46/1065806646.db2.gz YFIXDVMAHQENLY-AOYOOGHLSA-N 0 0 478.968 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)CCc2ccccc2C(F)(F)F)C1 ZINC001439268009 1065806733 /nfs/dbraw/zinc/80/67/33/1065806733.db2.gz RCEYBNWZHKGVOT-HNNXBMFYSA-N 0 0 450.448 4.647 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)CC1=O ZINC001439269356 1065806827 /nfs/dbraw/zinc/80/68/27/1065806827.db2.gz AMKOBBFPBJJCKS-RDJZCZTQSA-N 0 0 450.489 4.927 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCCOCC(F)F ZINC001360755158 1065807213 /nfs/dbraw/zinc/80/72/13/1065807213.db2.gz ADVJQMGNILDGPO-IEBWSBKVSA-N 0 0 499.002 4.875 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439271870 1065808042 /nfs/dbraw/zinc/80/80/42/1065808042.db2.gz FWRHKTBAZXTVBA-UKRRQHHQSA-N 0 0 451.539 4.711 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001360755379 1065808667 /nfs/dbraw/zinc/80/86/67/1065808667.db2.gz CKFSZQBMHDQDOP-UTKZUKDTSA-N 0 0 474.049 4.859 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCN(C)CC(F)(F)F ZINC001360755518 1065808933 /nfs/dbraw/zinc/80/89/33/1065808933.db2.gz FATMJXJANUINKH-NVXWUHKLSA-N 0 0 471.955 4.802 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2Br)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001439272712 1065808858 /nfs/dbraw/zinc/80/88/58/1065808858.db2.gz JWDNCWNEIHRZMD-HZPDHXFCSA-N 0 0 453.421 4.736 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NCCn3nc(C(F)(F)F)cc3C)s2)cc1 ZINC001439274490 1065808976 /nfs/dbraw/zinc/80/89/76/1065808976.db2.gz SNOXSBJUPVDOJD-UHFFFAOYSA-N 0 0 452.502 4.725 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCCN1CCOC1=O ZINC001360755595 1065809445 /nfs/dbraw/zinc/80/94/45/1065809445.db2.gz GLZBWLFVLFITON-HNNXBMFYSA-N 0 0 499.921 4.613 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001360755651 1065809563 /nfs/dbraw/zinc/80/95/63/1065809563.db2.gz HHCLFYKXDYJICN-ROUUACIJSA-N 0 0 485.032 4.585 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C1CC(C(C)(C)C)C1 ZINC001360755745 1065810171 /nfs/dbraw/zinc/81/01/71/1065810171.db2.gz ILQMAFOJQSZXSA-INECWFNRSA-N 0 0 460.022 4.736 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360755792 1065811012 /nfs/dbraw/zinc/81/10/12/1065811012.db2.gz JLLNTKRCHPSQQY-OTWHNJEPSA-N 0 0 495.089 4.911 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Br)cc3OC)cc2)ccn1 ZINC001439282301 1065810908 /nfs/dbraw/zinc/81/09/08/1065810908.db2.gz WZEVYZUHRGHXGR-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN CSC1CCC(CNC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)CC1 ZINC001439288004 1065811677 /nfs/dbraw/zinc/81/16/77/1065811677.db2.gz PZXJHGDGWYQEMD-UHFFFAOYSA-N 0 0 453.402 4.976 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1cccc2ccccc21 ZINC001439289042 1065811699 /nfs/dbraw/zinc/81/16/99/1065811699.db2.gz PJNIHTUSHTUCJM-AREMUKBSSA-N 0 0 458.514 4.597 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)c1ccccc1OC(F)(F)F ZINC001439290126 1065811769 /nfs/dbraw/zinc/81/17/69/1065811769.db2.gz HMSDGXHQZJWJHS-YWZLYKJASA-N 0 0 453.457 4.815 20 0 JJADRN Cc1c(C(=O)NCc2cc(Br)ccc2Cl)nnn1-c1ccc(F)c(Cl)c1 ZINC001439305897 1065812600 /nfs/dbraw/zinc/81/26/00/1065812600.db2.gz DYWLYXUIMZUTIP-UHFFFAOYSA-N 0 0 458.118 4.714 20 0 JJADRN CC[C@@H](NC(C)=O)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC001439305675 1065813042 /nfs/dbraw/zinc/81/30/42/1065813042.db2.gz HWZGTJIHSBWFQH-GOSISDBHSA-N 0 0 453.764 4.768 20 0 JJADRN CC[C@H](NC(C)=O)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC001439305676 1065813097 /nfs/dbraw/zinc/81/30/97/1065813097.db2.gz HWZGTJIHSBWFQH-SFHVURJKSA-N 0 0 453.764 4.768 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)N(CC(F)F)C1CCC1 ZINC001439308239 1065813734 /nfs/dbraw/zinc/81/37/34/1065813734.db2.gz PUHQHDRXXABJKO-UHFFFAOYSA-N 0 0 452.914 4.919 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)OCC)cc1Cl)c1ccc(F)cc1F ZINC001439313044 1065813933 /nfs/dbraw/zinc/81/39/33/1065813933.db2.gz RNMJMORKBPEYNY-GOSISDBHSA-N 0 0 454.857 4.611 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC2CC2)n1Cc1ncnn1C(C)(C)C ZINC001360756451 1065814320 /nfs/dbraw/zinc/81/43/20/1065814320.db2.gz URLGHLNXNQFKLV-INIZCTEOSA-N 0 0 458.010 4.703 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cccs2)n1C[C@@]1(O)CCSC1 ZINC001360756296 1065814331 /nfs/dbraw/zinc/81/43/31/1065814331.db2.gz RPWRLVAIAGOORI-ZHRRBRCNSA-N 0 0 479.071 4.680 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001439324365 1065814452 /nfs/dbraw/zinc/81/44/52/1065814452.db2.gz PVAWTVFRCQVKPV-NZQKXSOJSA-N 0 0 458.411 4.737 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC2CC2)n1CCC(=O)N1CCCCC1 ZINC001360756476 1065814890 /nfs/dbraw/zinc/81/48/90/1065814890.db2.gz VGXJIXCKHHWDSD-SFHVURJKSA-N 0 0 460.022 4.710 20 0 JJADRN CN(C[C@@H]1CCCCN1C(=O)CSc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC001439325393 1065815368 /nfs/dbraw/zinc/81/53/68/1065815368.db2.gz IRUUOVKHTUYQNI-INIZCTEOSA-N 0 0 457.434 4.789 20 0 JJADRN O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCCc1ccc2c(c1)OCCCO2 ZINC001439325117 1065815410 /nfs/dbraw/zinc/81/54/10/1065815410.db2.gz SANHXHBHXKSOPX-UHFFFAOYSA-N 0 0 451.950 4.982 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCCOC(F)F ZINC001360756526 1065816071 /nfs/dbraw/zinc/81/60/71/1065816071.db2.gz VZIUYHMWGGRTDU-WMZOPIPTSA-N 0 0 484.975 4.954 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC001439339017 1065816679 /nfs/dbraw/zinc/81/66/79/1065816679.db2.gz IQGUFTDHKZEPCT-GDBMZVCRSA-N 0 0 450.448 4.547 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360756693 1065817347 /nfs/dbraw/zinc/81/73/47/1065817347.db2.gz YBSPMYNVVYRCCT-KSSFIOAISA-N 0 0 497.949 4.685 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCCOC1CCOCC1 ZINC001360756709 1065817409 /nfs/dbraw/zinc/81/74/09/1065817409.db2.gz YIVFNOITCYZXMD-FHWLQOOXSA-N 0 0 463.022 4.892 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1CCCn1cccn1 ZINC001360757437 1065818592 /nfs/dbraw/zinc/81/85/92/1065818592.db2.gz BGPYKAOXONZIAD-INIZCTEOSA-N 0 0 491.821 4.847 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1 ZINC001360757441 1065818769 /nfs/dbraw/zinc/81/87/69/1065818769.db2.gz BJGWMBKRAAMROY-DYESRHJHSA-N 0 0 481.062 4.521 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001439353934 1065819511 /nfs/dbraw/zinc/81/95/11/1065819511.db2.gz DPXNPTXWGKOHJY-RHSMWYFYSA-N 0 0 478.014 4.947 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001439357869 1065819773 /nfs/dbraw/zinc/81/97/73/1065819773.db2.gz YTUXLVQFUHGBPH-DNVCBOLYSA-N 0 0 461.006 4.944 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001439359118 1065819800 /nfs/dbraw/zinc/81/98/00/1065819800.db2.gz NYMDJCONACQNPG-YADARESESA-N 0 0 455.396 4.964 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001439358047 1065820073 /nfs/dbraw/zinc/82/00/73/1065820073.db2.gz YLIIBMHYRJOJQB-DNVCBOLYSA-N 0 0 470.957 4.771 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001439363197 1065820640 /nfs/dbraw/zinc/82/06/40/1065820640.db2.gz WYIINBXWPYSZCH-OAQYLSRUSA-N 0 0 459.333 4.671 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC1CC1 ZINC001360757787 1065820796 /nfs/dbraw/zinc/82/07/96/1065820796.db2.gz IAUBLMWIHJYDOO-HKUYNNGSSA-N 0 0 474.049 4.860 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC2)n1Cc1cccc(Br)n1 ZINC001360757757 1065820859 /nfs/dbraw/zinc/82/08/59/1065820859.db2.gz HNKJOCJIHYEQBO-AWEZNQCLSA-N 0 0 462.779 4.878 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1CC1 ZINC001360757788 1065820927 /nfs/dbraw/zinc/82/09/27/1065820927.db2.gz IAUBLMWIHJYDOO-IEBWSBKVSA-N 0 0 474.049 4.860 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001439373150 1065821261 /nfs/dbraw/zinc/82/12/61/1065821261.db2.gz OSJOULSKWYKYCT-ZBFHGGJFSA-N 0 0 452.498 4.928 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001439373142 1065821342 /nfs/dbraw/zinc/82/13/42/1065821342.db2.gz OSJOULSKWYKYCT-GDBMZVCRSA-N 0 0 452.498 4.928 20 0 JJADRN C[C@@]1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCOC2(CCC2)C1 ZINC001439374942 1065821565 /nfs/dbraw/zinc/82/15/65/1065821565.db2.gz KZGOSXJIKRCWOF-VGOFRKELSA-N 0 0 453.410 4.701 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CSCCS1 ZINC001360758235 1065823632 /nfs/dbraw/zinc/82/36/32/1065823632.db2.gz PFRKPKBCWKUUHL-DYESRHJHSA-N 0 0 497.130 4.909 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360758774 1065825670 /nfs/dbraw/zinc/82/56/70/1065825670.db2.gz HDKSNUYOQGMPNP-GFCCVEGCSA-N 0 0 459.237 4.537 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC2(C)C)n1CCCNC(=O)C1CCC1 ZINC001360758665 1065825917 /nfs/dbraw/zinc/82/59/17/1065825917.db2.gz UOBXGWJIUFUAFP-QGZVFWFLSA-N 0 0 460.022 4.757 20 0 JJADRN CCCc1c(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001439422949 1065825854 /nfs/dbraw/zinc/82/58/54/1065825854.db2.gz RWHXUCFPYLAEFU-HKBQPEDESA-N 0 0 451.470 4.548 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 ZINC001439423885 1065826409 /nfs/dbraw/zinc/82/64/09/1065826409.db2.gz VBTNCAWKOZDCMJ-ZYSBOAIWSA-N 0 0 458.609 4.700 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N[C@@H](c3ccc(Cl)cc3Cl)C(F)(F)F)cnc12 ZINC001439429867 1065826529 /nfs/dbraw/zinc/82/65/29/1065826529.db2.gz MVMKHEBDHVPVEP-SFHVURJKSA-N 0 0 458.267 4.822 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N=[S@]1(=O)CCc2ccccc21 ZINC001439424979 1065826542 /nfs/dbraw/zinc/82/65/42/1065826542.db2.gz NWMKTMVRMLBIEO-VWLOTQADSA-N 0 0 453.408 4.786 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC1(C)CCC1 ZINC001360759239 1065828656 /nfs/dbraw/zinc/82/86/56/1065828656.db2.gz ZDJAPJDJBKKIEK-GOSISDBHSA-N 0 0 474.049 4.956 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC(C)(C)c1ccccn1 ZINC001360759189 1065828669 /nfs/dbraw/zinc/82/86/69/1065828669.db2.gz YVPLGVKJIXTBEQ-MOPGFXCFSA-N 0 0 497.043 4.536 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC(C)(C)c1ccccn1 ZINC001360759192 1065828680 /nfs/dbraw/zinc/82/86/80/1065828680.db2.gz YVPLGVKJIXTBEQ-RTBURBONSA-N 0 0 497.043 4.536 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCOC(C)(C)C ZINC001360759176 1065828714 /nfs/dbraw/zinc/82/87/14/1065828714.db2.gz YRVXRMWJWRTJRS-OAHLLOKOSA-N 0 0 490.954 4.780 20 0 JJADRN C[S@](=O)(=NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001439438990 1065828968 /nfs/dbraw/zinc/82/89/68/1065828968.db2.gz SKUWVNUNMYWBNI-HSZRJFAPSA-N 0 0 457.187 4.927 20 0 JJADRN C[S@@](=O)(=NC(=O)c1cc(Br)c(F)cc1F)c1cccc(Br)c1 ZINC001439436771 1065829099 /nfs/dbraw/zinc/82/90/99/1065829099.db2.gz OWEMDQYWEXTHIO-QFIPXVFZSA-N 0 0 453.102 4.787 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)c2ccsc2)CCO1 ZINC001360759725 1065829162 /nfs/dbraw/zinc/82/91/62/1065829162.db2.gz ARHWJBNLFPBHLT-XVWGUNQUSA-N 0 0 491.057 4.902 20 0 JJADRN O=C(c1ccc(OCC(F)(F)F)cn1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360759466 1065829205 /nfs/dbraw/zinc/82/92/05/1065829205.db2.gz RPVSXQMHTPFXFC-UHFFFAOYSA-N 0 0 457.168 4.994 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC001360759463 1065829303 /nfs/dbraw/zinc/82/93/03/1065829303.db2.gz RMCYHNKDTUVBQC-NRFANRHFSA-N 0 0 456.384 4.946 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360759738 1065829328 /nfs/dbraw/zinc/82/93/28/1065829328.db2.gz AUQJOIPSQMSPDE-OZIGNCPNSA-N 0 0 477.049 4.995 20 0 JJADRN C[S@](=O)(=NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccccc1Br ZINC001439444495 1065829637 /nfs/dbraw/zinc/82/96/37/1065829637.db2.gz ZZMMYHPGBLAEHN-MUUNZHRXSA-N 0 0 457.349 4.743 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC1(C)CCOCC1 ZINC001360759844 1065830014 /nfs/dbraw/zinc/83/00/14/1065830014.db2.gz CQCOWMNRQSOIHF-ROUUACIJSA-N 0 0 463.022 4.892 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)c2cnc(-c3ncccn3)s2)c(F)c(F)c1F ZINC001439456384 1065830524 /nfs/dbraw/zinc/83/05/24/1065830524.db2.gz FIWLLNMSOFNRSJ-UHFFFAOYSA-N 0 0 451.430 4.617 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360760120 1065831373 /nfs/dbraw/zinc/83/13/73/1065831373.db2.gz HTZWOKYJOXAGFJ-UXLLHSPISA-N 0 0 485.938 4.644 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)[C@H](OCC1CCCC1)c1ccccc1)CCC2 ZINC001439487143 1065833023 /nfs/dbraw/zinc/83/30/23/1065833023.db2.gz QAEYFNWVZNKAGI-OAQYLSRUSA-N 0 0 454.571 4.915 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)c1ccc(Cl)c(Br)c1)CCC2 ZINC001439484224 1065833173 /nfs/dbraw/zinc/83/31/73/1065833173.db2.gz GCFOLRZMFREMIS-UHFFFAOYSA-N 0 0 455.740 4.697 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360760754 1065833924 /nfs/dbraw/zinc/83/39/24/1065833924.db2.gz SGKCKKRYLZYOOR-YDLSIGKMSA-N 0 0 477.049 4.994 20 0 JJADRN Cc1nc(CCC(=O)Nc2cc(Br)ccc2C2=NCCO2)oc1-c1ccccc1 ZINC001439493709 1065834090 /nfs/dbraw/zinc/83/40/90/1065834090.db2.gz RTIGIYSYUFEOOR-UHFFFAOYSA-N 0 0 454.324 4.761 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001439495359 1065834504 /nfs/dbraw/zinc/83/45/04/1065834504.db2.gz BXVNVUANBOAYET-WXTAPIANSA-N 0 0 454.542 4.562 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC001439496714 1065834632 /nfs/dbraw/zinc/83/46/32/1065834632.db2.gz DURYCUNFSIHIGP-AWEZNQCLSA-N 0 0 457.527 4.886 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001439496519 1065834735 /nfs/dbraw/zinc/83/47/35/1065834735.db2.gz COZVBAPOKCSMAK-GAJHUEQPSA-N 0 0 454.542 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC001439496717 1065834866 /nfs/dbraw/zinc/83/48/66/1065834866.db2.gz DURYCUNFSIHIGP-CQSZACIVSA-N 0 0 457.527 4.886 20 0 JJADRN COCc1ccc([C@@H]2COCCN2C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)o1 ZINC001439503359 1065835291 /nfs/dbraw/zinc/83/52/91/1065835291.db2.gz VQLFMDIZGZCOCQ-IBGZPJMESA-N 0 0 451.947 4.727 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(I)c(C)c2C)c1 ZINC001439503806 1065835999 /nfs/dbraw/zinc/83/59/99/1065835999.db2.gz DFCSEEJHVUKGJS-GOEBONIOSA-N 0 0 451.304 4.667 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(I)c(C)c2C)c1 ZINC001439503808 1065836255 /nfs/dbraw/zinc/83/62/55/1065836255.db2.gz DFCSEEJHVUKGJS-HOCLYGCPSA-N 0 0 451.304 4.667 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCOCC1CC1 ZINC001360761071 1065836347 /nfs/dbraw/zinc/83/63/47/1065836347.db2.gz YKIMGEYKDTZSRF-ZWKOTPCHSA-N 0 0 463.022 4.892 20 0 JJADRN Cc1c(I)ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1C ZINC001439510345 1065837574 /nfs/dbraw/zinc/83/75/74/1065837574.db2.gz OHZZSXYSCCOGGO-KRWDZBQOSA-N 0 0 451.304 4.718 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCN1CCOC[C@@H]1C ZINC001360762298 1065837605 /nfs/dbraw/zinc/83/76/05/1065837605.db2.gz CURLOMIVIBCJTF-FHWLQOOXSA-N 0 0 473.618 4.537 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCN1CCOC(C)(C)C1 ZINC001360762115 1065838037 /nfs/dbraw/zinc/83/80/37/1065838037.db2.gz ABBWHSKNHJZRGH-FHWLQOOXSA-N 0 0 494.105 4.513 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)C2([C@H]3CCCCO3)CCOCC2)c1)c1ccccc1 ZINC001360762011 1065838200 /nfs/dbraw/zinc/83/82/00/1065838200.db2.gz XUCDKVFGUSRNCJ-JOCHJYFZSA-N 0 0 456.970 4.921 20 0 JJADRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC001439545498 1065839696 /nfs/dbraw/zinc/83/96/96/1065839696.db2.gz HFDOEBSLBXBBAG-HNNXBMFYSA-N 0 0 451.876 4.695 20 0 JJADRN CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)c1cc2ncc(Br)cn2n1 ZINC001439554496 1065840980 /nfs/dbraw/zinc/84/09/80/1065840980.db2.gz PLAWBXLPPUMJBZ-UHFFFAOYSA-N 0 0 459.735 4.842 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC001439552684 1065841051 /nfs/dbraw/zinc/84/10/51/1065841051.db2.gz JBRMYXZRKAVLGN-FQEVSTJZSA-N 0 0 459.905 4.661 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360762886 1065841291 /nfs/dbraw/zinc/84/12/91/1065841291.db2.gz MOXOKOAOOSYJIW-KRWDZBQOSA-N 0 0 461.582 4.803 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC001360762930 1065841556 /nfs/dbraw/zinc/84/15/56/1065841556.db2.gz NJMWPVCIIPGCHR-CSODHUTKSA-N 0 0 458.994 5.000 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCCCO ZINC001360763042 1065841943 /nfs/dbraw/zinc/84/19/43/1065841943.db2.gz PEIVHUYQCOZZLY-IIDMSEBBSA-N 0 0 460.928 4.869 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCn1cccn1 ZINC001360763051 1065842105 /nfs/dbraw/zinc/84/21/05/1065842105.db2.gz PIRSEZYKIGZSBP-FGTMMUONSA-N 0 0 461.035 4.689 20 0 JJADRN COc1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c(C)c1OC ZINC001439572318 1065842022 /nfs/dbraw/zinc/84/20/22/1065842022.db2.gz YQEKEAYDJFABLC-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN CCc1noc2ncc(C(=O)N3C[C@H](CCNC(=O)OC(C)(C)C)Cc4ccccc43)cc12 ZINC001439581507 1065842428 /nfs/dbraw/zinc/84/24/28/1065842428.db2.gz CKBGGFQKDKPOAI-MRXNPFEDSA-N 0 0 450.539 4.519 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001439580624 1065842500 /nfs/dbraw/zinc/84/25/00/1065842500.db2.gz AMRNPVUNZLMARQ-SESVDKBCSA-N 0 0 472.626 4.865 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc2ccncc2s1)c1ccc(Br)c(Cl)c1 ZINC001439574224 1065842613 /nfs/dbraw/zinc/84/26/13/1065842613.db2.gz LOTCRTGDQFCHTF-INIZCTEOSA-N 0 0 453.745 4.746 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccnc1OCC(F)F ZINC001360763220 1065842717 /nfs/dbraw/zinc/84/27/17/1065842717.db2.gz SDFKYZKCKOYRGG-DOTOQJQBSA-N 0 0 493.555 4.586 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccnc1OCC(F)F ZINC001360763222 1065842873 /nfs/dbraw/zinc/84/28/73/1065842873.db2.gz SDFKYZKCKOYRGG-RDJZCZTQSA-N 0 0 493.555 4.586 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360763410 1065843264 /nfs/dbraw/zinc/84/32/64/1065843264.db2.gz VVDXHGQAPXOLRA-CLCXKQKWSA-N 0 0 495.933 4.741 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1Cc1cc(C(C)(C)C)no1 ZINC001360763517 1065843384 /nfs/dbraw/zinc/84/33/84/1065843384.db2.gz XNBOYNCQZNHIEK-CQSZACIVSA-N 0 0 455.950 4.882 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1Cc1cc(C(C)(C)C)no1 ZINC001360763516 1065843484 /nfs/dbraw/zinc/84/34/84/1065843484.db2.gz XNBOYNCQZNHIEK-AWEZNQCLSA-N 0 0 455.950 4.882 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC001439582971 1065844024 /nfs/dbraw/zinc/84/40/24/1065844024.db2.gz HGNWSRILVWQODY-KRWDZBQOSA-N 0 0 451.542 4.970 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCCc1nccs1 ZINC001360764453 1065844590 /nfs/dbraw/zinc/84/45/90/1065844590.db2.gz ANWYFUSSRUELFC-KRWDZBQOSA-N 0 0 452.559 4.678 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccon2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360764430 1065844841 /nfs/dbraw/zinc/84/48/41/1065844841.db2.gz AIJPTCITEKSSFJ-QGZVFWFLSA-N 0 0 480.544 4.802 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cscn2)n1Cc1ccncc1Cl ZINC001360764543 1065845275 /nfs/dbraw/zinc/84/52/75/1065845275.db2.gz BSKBMVYRUYFTNB-CQSZACIVSA-N 0 0 458.950 4.747 20 0 JJADRN C/C(=C/c1ccco1)C(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439590033 1065845465 /nfs/dbraw/zinc/84/54/65/1065845465.db2.gz DHIIEYWVQJKMHO-NUYDTXCCSA-N 0 0 452.551 4.839 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001439591162 1065845974 /nfs/dbraw/zinc/84/59/74/1065845974.db2.gz KFLPAQHMELJXCD-RBUKOAKNSA-N 0 0 454.542 4.904 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)Cc3ccc(C)s3)C2)c2ccccc12 ZINC001360764727 1065846307 /nfs/dbraw/zinc/84/63/07/1065846307.db2.gz YYIXYGFZXQFHRX-IEBWSBKVSA-N 0 0 450.604 4.818 20 0 JJADRN Cc1c(F)cccc1C(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439591156 1065846215 /nfs/dbraw/zinc/84/62/15/1065846215.db2.gz KFHHWDQVBMWLEL-MOPGFXCFSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1cc(F)cc(C(=O)N2CCOC[C@@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001439594658 1065846284 /nfs/dbraw/zinc/84/62/84/1065846284.db2.gz ZPPUBJWJHHAXHU-CTNGQTDRSA-N 0 0 454.542 4.904 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001439600618 1065846593 /nfs/dbraw/zinc/84/65/93/1065846593.db2.gz FEAADXSENWJQGR-MOPGFXCFSA-N 0 0 461.356 4.737 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@H]1CCOC1 ZINC001360764952 1065846989 /nfs/dbraw/zinc/84/69/89/1065846989.db2.gz IFAURPOTDRZRRK-KBPBESRZSA-N 0 0 485.507 4.705 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1 ZINC001360764983 1065847510 /nfs/dbraw/zinc/84/75/10/1065847510.db2.gz IXCXMQREISTNAG-MRXNPFEDSA-N 0 0 485.995 4.978 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CCC(=O)N1CCCCCC1 ZINC001360765190 1065848421 /nfs/dbraw/zinc/84/84/21/1065848421.db2.gz MQHHNAKPJJGTCO-IBGZPJMESA-N 0 0 469.561 4.579 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCc1ccccn1 ZINC001360765036 1065848480 /nfs/dbraw/zinc/84/84/80/1065848480.db2.gz KEKJXXGQKLRIND-KRWDZBQOSA-N 0 0 466.948 4.880 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCC(C)(F)F ZINC001360765265 1065849137 /nfs/dbraw/zinc/84/91/37/1065849137.db2.gz NZTUBPVBKCGDHA-ZDUSSCGKSA-N 0 0 456.900 4.626 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC001439620014 1065849242 /nfs/dbraw/zinc/84/92/42/1065849242.db2.gz SLEVBJDOGSIQAF-UHFFFAOYSA-N 0 0 456.951 4.721 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360765360 1065849933 /nfs/dbraw/zinc/84/99/33/1065849933.db2.gz PWDZOYBUNAOWLY-KRWDZBQOSA-N 0 0 461.582 4.660 20 0 JJADRN CCCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)[C@H](C)C(=O)OC ZINC001439627433 1065849878 /nfs/dbraw/zinc/84/98/78/1065849878.db2.gz MGYXTUJPQFSFRC-GFCCVEGCSA-N 0 0 455.736 4.704 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccoc2)n1Cc1nccc(C(F)F)n1 ZINC001360765350 1065849964 /nfs/dbraw/zinc/84/99/64/1065849964.db2.gz PRXXFIXIKWIYHV-AWEZNQCLSA-N 0 0 458.444 4.563 20 0 JJADRN O=C(C[C@H]1OCc2cc(Cl)ccc21)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001439638619 1065851091 /nfs/dbraw/zinc/85/10/91/1065851091.db2.gz OPZMCTHWAGQELV-HXUWFJFHSA-N 0 0 454.876 4.791 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360765707 1065851125 /nfs/dbraw/zinc/85/11/25/1065851125.db2.gz WZVGRPWIYRGTGM-UAVUOLJFSA-N 0 0 473.980 4.793 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CC(F)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360765704 1065851203 /nfs/dbraw/zinc/85/12/03/1065851203.db2.gz WZFJCHFVBVVKSW-AOCRQIFASA-N 0 0 479.572 4.608 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CC(F)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360765705 1065851466 /nfs/dbraw/zinc/85/14/66/1065851466.db2.gz WZFJCHFVBVVKSW-WWDZGPRUSA-N 0 0 479.572 4.608 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccoc2)n1C[C@](C)(O)c1ccsc1 ZINC001360765730 1065851859 /nfs/dbraw/zinc/85/18/59/1065851859.db2.gz XLADRKDTJVDCQX-HJPURHCSSA-N 0 0 456.543 4.756 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCCO2)n1CCOc1ccc(Cl)cn1 ZINC001360765787 1065851931 /nfs/dbraw/zinc/85/19/31/1065851931.db2.gz YDWRCPYQJVLAGK-IEBWSBKVSA-N 0 0 489.979 4.690 20 0 JJADRN CC(C)(C)n1nc(C(=O)NCc2ccc(Br)c(Br)c2)cc1C1CC1 ZINC001439641956 1065852531 /nfs/dbraw/zinc/85/25/31/1065852531.db2.gz QVYQHFUAOVJODZ-UHFFFAOYSA-N 0 0 455.194 4.971 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2C(=O)CCn2cnc3ccc(Br)cc3c2=O)o1 ZINC001360766192 1065852586 /nfs/dbraw/zinc/85/25/86/1065852586.db2.gz KFMVDHBBXNTVFD-IBGZPJMESA-N 0 0 458.356 4.594 20 0 JJADRN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001439659780 1065853810 /nfs/dbraw/zinc/85/38/10/1065853810.db2.gz NSJBEZNYMWMQQN-OAHLLOKOSA-N 0 0 456.514 4.744 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@]1(C)CCCS1 ZINC001360766799 1065853990 /nfs/dbraw/zinc/85/39/90/1065853990.db2.gz CUBQCMHGRVYZJP-ZHRRBRCNSA-N 0 0 461.632 4.978 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001439666431 1065854428 /nfs/dbraw/zinc/85/44/28/1065854428.db2.gz IVUDLWGJIXSUGH-UHFFFAOYSA-N 0 0 455.308 4.874 20 0 JJADRN O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)c1cc(Cl)ccc1-n1cncn1 ZINC001439674792 1065855007 /nfs/dbraw/zinc/85/50/07/1065855007.db2.gz JCGDRFHASDARAX-UHFFFAOYSA-N 0 0 450.901 4.611 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001439674640 1065855049 /nfs/dbraw/zinc/85/50/49/1065855049.db2.gz HVVULUVBNQZQHD-UHFFFAOYSA-N 0 0 456.464 4.814 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCCC(C)(C)C ZINC001360767010 1065855410 /nfs/dbraw/zinc/85/54/10/1065855410.db2.gz HSJIODYMKFWZTF-HBMCJLEFSA-N 0 0 475.653 4.929 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001439677792 1065855711 /nfs/dbraw/zinc/85/57/11/1065855711.db2.gz IHHQZKBWURCBIE-IECBHUPTSA-N 0 0 450.579 4.971 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001439677809 1065855891 /nfs/dbraw/zinc/85/58/91/1065855891.db2.gz IHHQZKBWURCBIE-KHCICDEESA-N 0 0 450.579 4.971 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC2CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360767283 1065855958 /nfs/dbraw/zinc/85/59/58/1065855958.db2.gz MWUZBRNBVNLGFS-QGZVFWFLSA-N 0 0 461.582 4.660 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360767388 1065855986 /nfs/dbraw/zinc/85/59/86/1065855986.db2.gz ORASTTPHGQJZJZ-LTIDMASMSA-N 0 0 483.510 4.518 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC(C)(C)C ZINC001360767324 1065856218 /nfs/dbraw/zinc/85/62/18/1065856218.db2.gz NRBOQBJYLGNZPQ-SXLOBPIMSA-N 0 0 457.594 4.631 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](C)(=O)c1cccc(Cl)c1 ZINC001439679706 1065856588 /nfs/dbraw/zinc/85/65/88/1065856588.db2.gz XJIPXJKRFPODGO-YVGXBJCXSA-N 0 0 452.960 4.598 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360767554 1065856813 /nfs/dbraw/zinc/85/68/13/1065856813.db2.gz QTMFFPHFPOKFGH-BTYIYWSLSA-N 0 0 456.484 4.663 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CCc1cn2ccccc2n1 ZINC001360767494 1065856850 /nfs/dbraw/zinc/85/68/50/1065856850.db2.gz PVHIUPSJBPTMCL-INIZCTEOSA-N 0 0 458.488 4.539 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(Br)cnc1Br ZINC001439685678 1065857268 /nfs/dbraw/zinc/85/72/68/1065857268.db2.gz XERMFICLYGVKDT-XHBSWPGZSA-N 0 0 454.162 4.597 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(Br)cnc1Br ZINC001439685664 1065857283 /nfs/dbraw/zinc/85/72/83/1065857283.db2.gz XERMFICLYGVKDT-WQGACYEGSA-N 0 0 454.162 4.597 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360767721 1065857252 /nfs/dbraw/zinc/85/72/52/1065857252.db2.gz UAXNMIQOSFWPMF-ZACQAIPSSA-N 0 0 497.562 4.809 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1CC1 ZINC001360767716 1065857345 /nfs/dbraw/zinc/85/73/45/1065857345.db2.gz TZRQYJLPNJHCQU-UWVAXJGDSA-N 0 0 473.593 4.707 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS2)CC1 ZINC001360767921 1065857457 /nfs/dbraw/zinc/85/74/57/1065857457.db2.gz VPUYQLOFZPREGF-ICSRJNTNSA-N 0 0 489.661 4.536 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001439690671 1065857902 /nfs/dbraw/zinc/85/79/02/1065857902.db2.gz FCLKBMKNFJIBPJ-RXFWQSSRSA-N 0 0 453.583 4.879 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCn2ccnc21 ZINC001360767951 1065858094 /nfs/dbraw/zinc/85/80/94/1065858094.db2.gz WCSUIHPWCLKIPR-RBUKOAKNSA-N 0 0 470.593 4.583 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)nc2)C1 ZINC001360768934 1065858887 /nfs/dbraw/zinc/85/88/87/1065858887.db2.gz AAEFYOCZIPEMBC-QUCCMNQESA-N 0 0 452.578 4.549 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc([C@@H](C)CC(N)=O)cc1 ZINC001439695673 1065859407 /nfs/dbraw/zinc/85/94/07/1065859407.db2.gz VUFUVPSITDSIKO-ZDUSSCGKSA-N 0 0 456.340 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C(C)(C)C1 ZINC001439698937 1065860087 /nfs/dbraw/zinc/86/00/87/1065860087.db2.gz FNNMYOLFNDGLQN-FQEVSTJZSA-N 0 0 458.580 4.562 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCCN(C)CC(F)(F)F ZINC001360769128 1065860455 /nfs/dbraw/zinc/86/04/55/1065860455.db2.gz DOGZSPPFGNPCQF-BZSNNMDCSA-N 0 0 471.543 4.924 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439700055 1065860689 /nfs/dbraw/zinc/86/06/89/1065860689.db2.gz LLTMOSBZIPQDNB-MAUKXSAKSA-N 0 0 453.421 4.780 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439700050 1065860719 /nfs/dbraw/zinc/86/07/19/1065860719.db2.gz LLTMOSBZIPQDNB-CRAIPNDOSA-N 0 0 453.421 4.780 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360769315 1065861203 /nfs/dbraw/zinc/86/12/03/1065861203.db2.gz HFBFYBBBQVFSSH-SFHVURJKSA-N 0 0 459.610 4.721 20 0 JJADRN CC(C)(C)OC(=O)NOCCCNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001439702113 1065861225 /nfs/dbraw/zinc/86/12/25/1065861225.db2.gz GYJCFUTVTKCUHL-UHFFFAOYSA-N 0 0 455.530 4.869 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001439704759 1065861844 /nfs/dbraw/zinc/86/18/44/1065861844.db2.gz OGJNBAYOULBZFY-UYAOXDASSA-N 0 0 459.384 4.986 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cs2)cc1 ZINC001439703612 1065861929 /nfs/dbraw/zinc/86/19/29/1065861929.db2.gz TVJSLKTZZLAGPS-LJQANCHMSA-N 0 0 459.612 4.974 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCN1CCOC(C)(C)C1 ZINC001360769427 1065862054 /nfs/dbraw/zinc/86/20/54/1065862054.db2.gz IJFZLWJBZFLTMO-MRXNPFEDSA-N 0 0 498.430 4.567 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360769463 1065862073 /nfs/dbraw/zinc/86/20/73/1065862073.db2.gz JGECUIZPDMIHEA-LOKHSYKPSA-N 0 0 464.651 4.977 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1C[C@H]1CCCCC1(F)F ZINC001360769650 1065862433 /nfs/dbraw/zinc/86/24/33/1065862433.db2.gz LQPPZSHTZDDJNL-SJLPKXTDSA-N 0 0 452.521 4.591 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1CCCC1CCOCC1 ZINC001360769973 1065863843 /nfs/dbraw/zinc/86/38/43/1065863843.db2.gz QYMRUEJIEVEXDU-QGZVFWFLSA-N 0 0 452.521 5.000 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2CC2)CC1 ZINC001360769957 1065864083 /nfs/dbraw/zinc/86/40/83/1065864083.db2.gz QOLOQEUWOHVOLM-OALUTQOASA-N 0 0 471.621 4.734 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC001439727516 1065864632 /nfs/dbraw/zinc/86/46/32/1065864632.db2.gz IGIWPSUPLQKTPL-SJKOYZFVSA-N 0 0 457.821 4.838 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H]1C ZINC001360770041 1065864864 /nfs/dbraw/zinc/86/48/64/1065864864.db2.gz RVCZGHXHFHVGBG-RMJJICAUSA-N 0 0 473.593 4.831 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccc(Cl)cc1 ZINC001439730424 1065865284 /nfs/dbraw/zinc/86/52/84/1065865284.db2.gz AZUOXNGXADGQNK-IBGZPJMESA-N 0 0 450.888 4.811 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001360770156 1065865539 /nfs/dbraw/zinc/86/55/39/1065865539.db2.gz UGAOKXISIGVROK-VFNWGFHPSA-N 0 0 466.529 4.762 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1cccc(Br)n1 ZINC001360770185 1065866085 /nfs/dbraw/zinc/86/60/85/1065866085.db2.gz UYYSPEUPRKRNRA-XHSDSOJGSA-N 0 0 474.378 4.998 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCC1=CCCCC1 ZINC001360770255 1065866138 /nfs/dbraw/zinc/86/61/38/1065866138.db2.gz WIMCKCPZHJNTJO-IBGZPJMESA-N 0 0 469.605 4.930 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCSCC(F)(F)F ZINC001360770248 1065866149 /nfs/dbraw/zinc/86/61/49/1065866149.db2.gz WGNMBBNNJYXEJW-HOTGVXAUSA-N 0 0 498.550 4.580 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NCC[C@H]2CCC(C)(C)CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001439733048 1065866465 /nfs/dbraw/zinc/86/64/65/1065866465.db2.gz GNOVMOOFXCPBQH-CBGDNZLLSA-N 0 0 452.998 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2cccc(SC(F)(F)F)c2)cc1 ZINC001439732411 1065866517 /nfs/dbraw/zinc/86/65/17/1065866517.db2.gz BRGFZMKUUZAFIA-SFHVURJKSA-N 0 0 459.511 4.503 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CCCO1 ZINC001360770364 1065866813 /nfs/dbraw/zinc/86/68/13/1065866813.db2.gz XRGWDXFJYRLVCX-DOTOQJQBSA-N 0 0 456.484 4.905 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001439734317 1065867174 /nfs/dbraw/zinc/86/71/74/1065867174.db2.gz AEIDTLRMJVODCJ-UHFFFAOYSA-N 0 0 454.379 4.872 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3)c2n1 ZINC001360770983 1065867413 /nfs/dbraw/zinc/86/74/13/1065867413.db2.gz PWZDVMMNMBYRTK-XMMPIXPASA-N 0 0 457.961 4.854 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)/C(=C\c1ccccc1)C(F)(F)F ZINC001360770665 1065867564 /nfs/dbraw/zinc/86/75/64/1065867564.db2.gz HTWMMEUZJOQKQJ-GTRUEHEQSA-N 0 0 452.476 4.676 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001439735725 1065867812 /nfs/dbraw/zinc/86/78/12/1065867812.db2.gz XMQAGZZEWKYNLU-SJORKVTESA-N 0 0 450.542 4.666 20 0 JJADRN O=C(c1cccc(C(=O)N2CCCCC2)c1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001439743712 1065868536 /nfs/dbraw/zinc/86/85/36/1065868536.db2.gz BKTPGMFGRISMJA-QFIPXVFZSA-N 0 0 455.396 4.923 20 0 JJADRN CC1(C)CC[C@@H](CCNC(=O)c2cc(I)c(Cl)cc2Cl)OC1 ZINC001439744147 1065868554 /nfs/dbraw/zinc/86/85/54/1065868554.db2.gz YQNCPZFREBIAAC-JTQLQIEISA-N 0 0 456.151 4.923 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1)c1ccc(Cl)cc1 ZINC001439739275 1065868623 /nfs/dbraw/zinc/86/86/23/1065868623.db2.gz RHCMAVXUYXAFQB-OAHLLOKOSA-N 0 0 456.167 4.791 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1)c1ccc(Cl)cc1 ZINC001439741883 1065868647 /nfs/dbraw/zinc/86/86/47/1065868647.db2.gz VOHSGWYGNBQJTM-IBGZPJMESA-N 0 0 450.888 4.811 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Br)C1)c1ccc(Cl)cc1 ZINC001439739269 1065868655 /nfs/dbraw/zinc/86/86/55/1065868655.db2.gz RHCMAVXUYXAFQB-HNNXBMFYSA-N 0 0 456.167 4.791 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)C[C@@H](C)CC ZINC001439746358 1065869237 /nfs/dbraw/zinc/86/92/37/1065869237.db2.gz IGWOAVNOUIUXSA-NNWRFLSQSA-N 0 0 460.615 4.640 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NCCCc2ccc(OC)c(OCC)c2)c1F ZINC001360772918 1065870172 /nfs/dbraw/zinc/87/01/72/1065870172.db2.gz OCOFNWUMYWEMIE-UHFFFAOYSA-N 0 0 454.336 4.757 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(C)cc(C(=O)OC)c2)[C@H]1c1ccc(OC)cc1 ZINC001439747806 1065870413 /nfs/dbraw/zinc/87/04/13/1065870413.db2.gz RYZQLVYRRBLMIA-ISKFKSNPSA-N 0 0 452.551 4.509 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC1(F)CCC1 ZINC001360772529 1065870325 /nfs/dbraw/zinc/87/03/25/1065870325.db2.gz IIYUORRQWSDLOF-HNNXBMFYSA-N 0 0 474.474 4.733 20 0 JJADRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001439751436 1065871073 /nfs/dbraw/zinc/87/10/73/1065871073.db2.gz ZXXQDNIGBCRYPU-MRXNPFEDSA-N 0 0 452.274 4.963 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCc1cccs1 ZINC001360773528 1065871490 /nfs/dbraw/zinc/87/14/90/1065871490.db2.gz JLYBSEOQIBHBIV-IRXDYDNUSA-N 0 0 497.562 4.934 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCOC(C)(C)C ZINC001360773510 1065871591 /nfs/dbraw/zinc/87/15/91/1065871591.db2.gz JFPXRVVPDWQBHW-IBGZPJMESA-N 0 0 487.645 4.756 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCc1cccs1 ZINC001360773526 1065871895 /nfs/dbraw/zinc/87/18/95/1065871895.db2.gz JLYBSEOQIBHBIV-DLBZAZTESA-N 0 0 497.562 4.934 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001439761991 1065872604 /nfs/dbraw/zinc/87/26/04/1065872604.db2.gz ZYPOOTZAGLTDKO-ZCPJJFRWSA-N 0 0 459.011 4.833 20 0 JJADRN COc1ccccc1C(=O)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439774639 1065873674 /nfs/dbraw/zinc/87/36/74/1065873674.db2.gz IQCOJFKIJUIIEF-UHFFFAOYSA-N 0 0 453.292 4.531 20 0 JJADRN O=C(NC[C@H]1CCCC2(CCC2)O1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001439772543 1065873690 /nfs/dbraw/zinc/87/36/90/1065873690.db2.gz NGBHIUMKYFWNOW-CQSZACIVSA-N 0 0 455.395 4.790 20 0 JJADRN CCOC(=O)C1([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3ccc(C)cc32)CCOCC1 ZINC001439772867 1065873741 /nfs/dbraw/zinc/87/37/41/1065873741.db2.gz JDADDHQKOJBELK-QGZVFWFLSA-N 0 0 452.576 4.750 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCC3(CCCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360774490 1065873786 /nfs/dbraw/zinc/87/37/86/1065873786.db2.gz NONDMMIBNNTZRN-IBGZPJMESA-N 0 0 492.661 4.931 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CC=CCC1 ZINC001360774653 1065874072 /nfs/dbraw/zinc/87/40/72/1065874072.db2.gz SFUNQVDCLUVZGH-FHWLQOOXSA-N 0 0 481.538 4.986 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360774771 1065874461 /nfs/dbraw/zinc/87/44/61/1065874461.db2.gz PLQNOYUWTBVIHX-YKTARERQSA-N 0 0 456.484 4.761 20 0 JJADRN O=C(NC[C@H]1CCC2(CCOCC2)O1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001439778258 1065875025 /nfs/dbraw/zinc/87/50/25/1065875025.db2.gz NUKXFOCIKKQNFH-NQIIRXRSSA-N 0 0 450.362 4.958 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1CCOCC(F)(F)C(F)F ZINC001360774910 1065875277 /nfs/dbraw/zinc/87/52/77/1065875277.db2.gz PXHHDFYWTAWTKX-CQSZACIVSA-N 0 0 462.463 4.853 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCCC1CCCC1 ZINC001360774933 1065875339 /nfs/dbraw/zinc/87/53/39/1065875339.db2.gz QAWIKPACAIZLTC-CTNGQTDRSA-N 0 0 492.661 4.931 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)c1csc(C2CC2)n1 ZINC001439779956 1065875491 /nfs/dbraw/zinc/87/54/91/1065875491.db2.gz TYGXOPJELNHUTR-IBGZPJMESA-N 0 0 452.361 4.863 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001439779629 1065875622 /nfs/dbraw/zinc/87/56/22/1065875622.db2.gz VWKFWZMQRRLSKI-IHWFROFDSA-N 0 0 459.409 4.787 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncccc2N(C)C)C1 ZINC001360775012 1065876178 /nfs/dbraw/zinc/87/61/78/1065876178.db2.gz QKYNHKGTMOOOFT-UXHICEINSA-N 0 0 466.605 4.939 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1(C)CCC1 ZINC001360775144 1065876698 /nfs/dbraw/zinc/87/66/98/1065876698.db2.gz YECHOMMAYOBRPR-QGZVFWFLSA-N 0 0 469.527 4.822 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001360775175 1065876774 /nfs/dbraw/zinc/87/67/74/1065876774.db2.gz YSQWYQGWZZKJFZ-SVFBPWRDSA-N 0 0 495.590 4.540 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCC(C)(F)F ZINC001360775401 1065877380 /nfs/dbraw/zinc/87/73/80/1065877380.db2.gz TULNNUUGQKIUKG-SJORKVTESA-N 0 0 462.520 4.720 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCNC(=O)OC(C)(C)C ZINC001360775348 1065877564 /nfs/dbraw/zinc/87/75/64/1065877564.db2.gz SJBHCOHRCLSVSZ-CVEARBPZSA-N 0 0 483.535 4.563 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360775441 1065878006 /nfs/dbraw/zinc/87/80/06/1065878006.db2.gz ULGVRYQICKFJPM-SJORKVTESA-N 0 0 469.527 4.820 20 0 JJADRN Cc1cccc([C@@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001439790561 1065878226 /nfs/dbraw/zinc/87/82/26/1065878226.db2.gz OYICSROBWYDBSO-HSZRJFAPSA-N 0 0 454.567 4.591 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1c(F)ccc(Br)c1F ZINC001439794340 1065878664 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4.930 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CCCC(C)(C)C ZINC001360775701 1065879317 /nfs/dbraw/zinc/87/93/17/1065879317.db2.gz YLDIYGULHRRXRA-IEBWSBKVSA-N 0 0 455.582 4.854 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1OCCC1(C)C ZINC001360775705 1065879344 /nfs/dbraw/zinc/87/93/44/1065879344.db2.gz YLJAJHLWLFLBLU-FCEWJHQRSA-N 0 0 452.521 4.854 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360775731 1065879501 /nfs/dbraw/zinc/87/95/01/1065879501.db2.gz YZIIIVHCLKWCID-IAGOWNOFSA-N 0 0 470.536 4.970 20 0 JJADRN Cc1cc(F)cc(-n2cc(C(=O)Nc3cc(OC(F)(F)F)ccc3Br)nn2)c1 ZINC001439800923 1065880179 /nfs/dbraw/zinc/88/01/79/1065880179.db2.gz RMXGOVXJWDWBBL-UHFFFAOYSA-N 0 0 459.197 4.628 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1OCC1CCOCC1 ZINC001360776044 1065880169 /nfs/dbraw/zinc/88/01/69/1065880169.db2.gz HTZMEWZCFPVUDA-IRLDBZIGSA-N 0 0 475.383 4.674 20 0 JJADRN CCCCCSc1nc2ccc(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)cc2s1 ZINC001360776465 1065880576 /nfs/dbraw/zinc/88/05/76/1065880576.db2.gz OBIDANCEZVYKIE-UHFFFAOYSA-N 0 0 453.611 4.674 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1Cl ZINC001360777346 1065881470 /nfs/dbraw/zinc/88/14/70/1065881470.db2.gz ZJZFPQITSCVWSV-MRXNPFEDSA-N 0 0 456.167 4.990 20 0 JJADRN COC(=O)c1cnc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1C ZINC001439812100 1065881542 /nfs/dbraw/zinc/88/15/42/1065881542.db2.gz MVDVFYCXEZPYNM-HXUWFJFHSA-N 0 0 455.308 4.698 20 0 JJADRN COCCOCCOc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1Br ZINC001439819289 1065882327 /nfs/dbraw/zinc/88/23/27/1065882327.db2.gz ABLHMXYPWCGFJD-ZDUSSCGKSA-N 0 0 458.299 4.511 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC(C)(C)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001360777859 1065882665 /nfs/dbraw/zinc/88/26/65/1065882665.db2.gz HBJKIAJRRWLKFD-QMHKHESXSA-N 0 0 476.643 4.858 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccs1 ZINC001360777716 1065882709 /nfs/dbraw/zinc/88/27/09/1065882709.db2.gz DMIZOZKBMORGCG-SJORKVTESA-N 0 0 487.601 4.770 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001439824603 1065883081 /nfs/dbraw/zinc/88/30/81/1065883081.db2.gz SZFPAOYLHDVLOF-NRFANRHFSA-N 0 0 455.624 4.679 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CCO1 ZINC001360778037 1065883183 /nfs/dbraw/zinc/88/31/83/1065883183.db2.gz JVHXYWBTTQUSCG-OXQOHEQNSA-N 0 0 493.505 4.881 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCc1cnn(C)c1 ZINC001360777870 1065883464 /nfs/dbraw/zinc/88/34/64/1065883464.db2.gz HCNPNHOVIGHXCU-SIBVEZHUSA-N 0 0 484.620 4.565 20 0 JJADRN COCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1Br ZINC001439826637 1065883600 /nfs/dbraw/zinc/88/36/00/1065883600.db2.gz FDTXBMXWMBLAAM-JKSUJKDBSA-N 0 0 469.173 4.979 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360778073 1065883800 /nfs/dbraw/zinc/88/38/00/1065883800.db2.gz KGMVPDXMIHBEFV-HOYKHHGWSA-N 0 0 460.594 4.504 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(OCCOC)c(Br)c2)cc1 ZINC001439827258 1065883862 /nfs/dbraw/zinc/88/38/62/1065883862.db2.gz GMAQKGOVMUGGFI-UHFFFAOYSA-N 0 0 452.345 4.669 20 0 JJADRN COCCOc1ccc(NC(=O)/C(C)=C\c2ccc(Br)o2)cc1Br ZINC001439829737 1065884311 /nfs/dbraw/zinc/88/43/11/1065884311.db2.gz PAEAOHHIHLKWIV-LUAWRHEFSA-N 0 0 459.134 4.872 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC001439828377 1065884321 /nfs/dbraw/zinc/88/43/21/1065884321.db2.gz YLOLZJAPAPRENF-OAHLLOKOSA-N 0 0 457.983 4.768 20 0 JJADRN COCCOc1ccc(NC(=O)/C(C)=C/c2ccc(Br)o2)cc1Br ZINC001439829740 1065884412 /nfs/dbraw/zinc/88/44/12/1065884412.db2.gz PAEAOHHIHLKWIV-PKNBQFBNSA-N 0 0 459.134 4.872 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)c1)c1cccc(Br)c1 ZINC001439838836 1065885213 /nfs/dbraw/zinc/88/52/13/1065885213.db2.gz FUUPPDQYPFQKDJ-RXVVDRJESA-N 0 0 457.368 4.636 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001360778679 1065884996 /nfs/dbraw/zinc/88/49/96/1065884996.db2.gz RFGPRSDEDKZBBN-MSOLQXFVSA-N 0 0 493.649 4.804 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001439844167 1065885767 /nfs/dbraw/zinc/88/57/67/1065885767.db2.gz QWYCTEGHMVNHLU-ABAIWWIYSA-N 0 0 451.224 4.527 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C1CC1)[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC001439841801 1065885987 /nfs/dbraw/zinc/88/59/87/1065885987.db2.gz MOMITISNZFMVAZ-UHOSZYNNSA-N 0 0 456.505 4.593 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2)n1 ZINC001439848389 1065886440 /nfs/dbraw/zinc/88/64/40/1065886440.db2.gz AYZYWTLICIRENZ-IEBWSBKVSA-N 0 0 455.942 4.939 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCc1cccs1 ZINC001360779218 1065886492 /nfs/dbraw/zinc/88/64/92/1065886492.db2.gz VJTSOYKXMAZCIC-KDOFPFPSSA-N 0 0 470.492 4.629 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)C2)n1 ZINC001439859124 1065887127 /nfs/dbraw/zinc/88/71/27/1065887127.db2.gz LLUOVDLLCWIHHJ-CZUORRHYSA-N 0 0 457.328 4.648 20 0 JJADRN C[C@H](OCCCn1c(C2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 ZINC001360779853 1065887536 /nfs/dbraw/zinc/88/75/36/1065887536.db2.gz CAHVQRJBOWJPGS-NRFANRHFSA-N 0 0 467.658 4.798 20 0 JJADRN C[C@H](OCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 ZINC001360779842 1065887579 /nfs/dbraw/zinc/88/75/79/1065887579.db2.gz BQZQWVAIHUSQCT-WWNPGLIZSA-N 0 0 456.631 4.734 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1CCOCC1 ZINC001360780663 1065889522 /nfs/dbraw/zinc/88/95/22/1065889522.db2.gz JRDLRIJJBPCBTP-BBWFWOEESA-N 0 0 452.521 4.711 20 0 JJADRN C[C@@H](OCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001360780655 1065889531 /nfs/dbraw/zinc/88/95/31/1065889531.db2.gz JONTXPGXRPJKCJ-GOSISDBHSA-N 0 0 472.515 4.683 20 0 JJADRN C[C@H](OCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360780721 1065890039 /nfs/dbraw/zinc/89/00/39/1065890039.db2.gz KOHSDZGFJQYQPH-HKUYNNGSSA-N 0 0 460.504 4.682 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1 ZINC001439904310 1065890421 /nfs/dbraw/zinc/89/04/21/1065890421.db2.gz HCXXTANEWWVRHJ-KRWDZBQOSA-N 0 0 451.832 4.579 20 0 JJADRN COC(=O)C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(Cl)c1 ZINC001439902792 1065890540 /nfs/dbraw/zinc/89/05/40/1065890540.db2.gz DPHMKUQNTKVETM-IBGZPJMESA-N 0 0 457.983 4.587 20 0 JJADRN C[C@H](OCCCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780868 1065890768 /nfs/dbraw/zinc/89/07/68/1065890768.db2.gz MMWDPLQYLVAXSH-UNMCSNQZSA-N 0 0 494.640 4.555 20 0 JJADRN C[C@H](OCCCn1c(C2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC001360780913 1065890845 /nfs/dbraw/zinc/89/08/45/1065890845.db2.gz NGTSLBGIWRDDRH-IPJJNNNSSA-N 0 0 469.630 4.673 20 0 JJADRN Cc1c(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)nnn1Cc1ccc(F)cc1 ZINC001439905428 1065891162 /nfs/dbraw/zinc/89/11/62/1065891162.db2.gz KJFAEVKZPSPNDH-UHFFFAOYSA-N 0 0 451.889 4.545 20 0 JJADRN C[C@H](OCCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001360781077 1065891421 /nfs/dbraw/zinc/89/14/21/1065891421.db2.gz RABGLTKSOJAMHE-PZJWPPBQSA-N 0 0 471.646 4.847 20 0 JJADRN C[C@H](OCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360781136 1065891931 /nfs/dbraw/zinc/89/19/31/1065891931.db2.gz RTWOMTQOJYURAV-QTEQDKRBSA-N 0 0 494.640 4.791 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(Nc2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360781261 1065892032 /nfs/dbraw/zinc/89/20/32/1065892032.db2.gz VBJSGNATUGVWME-KRWDZBQOSA-N 0 0 478.576 4.755 20 0 JJADRN C[C@H](OCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360781138 1065892043 /nfs/dbraw/zinc/89/20/43/1065892043.db2.gz RTWOMTQOJYURAV-ZRCGQRJVSA-N 0 0 494.640 4.791 20 0 JJADRN CC[C@H](C(=O)N1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001439917778 1065891882 /nfs/dbraw/zinc/89/18/82/1065891882.db2.gz GFOBRIAMIXEZQS-SGXKBVARSA-N 0 0 451.405 4.849 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC001439917316 1065891909 /nfs/dbraw/zinc/89/19/09/1065891909.db2.gz MDLPINGDXFJBHG-INIZCTEOSA-N 0 0 455.530 4.577 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC001439917318 1065891932 /nfs/dbraw/zinc/89/19/32/1065891932.db2.gz MDLPINGDXFJBHG-MRXNPFEDSA-N 0 0 455.530 4.577 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1 ZINC001439919868 1065892346 /nfs/dbraw/zinc/89/23/46/1065892346.db2.gz KSPJJSURKCMMJC-CQSZACIVSA-N 0 0 452.477 4.511 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC001439920750 1065892489 /nfs/dbraw/zinc/89/24/89/1065892489.db2.gz TZKNNYMAAXWLJT-ZDUSSCGKSA-N 0 0 450.630 4.946 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001439920467 1065892504 /nfs/dbraw/zinc/89/25/04/1065892504.db2.gz JTKQDEAZGKGFQW-IBVKSMDESA-N 0 0 455.599 4.725 20 0 JJADRN C[C@@H](OCCCn1c(CC2CC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001360781428 1065892699 /nfs/dbraw/zinc/89/26/99/1065892699.db2.gz YWECJXBXDZLKPV-KOSHJBKYSA-N 0 0 480.575 4.928 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)COC(c1ccccc1)c1ccccc1 ZINC001439923320 1065893064 /nfs/dbraw/zinc/89/30/64/1065893064.db2.gz NOSCVPNHTBCTAB-AMGIVPHBSA-N 0 0 450.579 4.698 20 0 JJADRN COC(=O)C[C@@H]1CC[C@H](NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)C1 ZINC001439930725 1065893830 /nfs/dbraw/zinc/89/38/30/1065893830.db2.gz VAWSBWSBBZIRIL-WBVHZDCISA-N 0 0 455.605 4.607 20 0 JJADRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1sc(-c3ccc(Cl)cc3)nc1C)CCS2 ZINC001439932115 1065893909 /nfs/dbraw/zinc/89/39/09/1065893909.db2.gz IQUHNEGSCGIJFD-JERHATOGSA-N 0 0 451.013 4.719 20 0 JJADRN CCCCOCCN(C(=O)Cn1cnc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC001360782875 1065894079 /nfs/dbraw/zinc/89/40/79/1065894079.db2.gz VHFFWXHHHOYWNN-UHFFFAOYSA-N 0 0 457.372 4.558 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)NCc1ccc(Br)cc1F ZINC001439937334 1065894267 /nfs/dbraw/zinc/89/42/67/1065894267.db2.gz CBLXUXVNWFXIRJ-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC001439960986 1065898190 /nfs/dbraw/zinc/89/81/90/1065898190.db2.gz AUVDGMCITJUUGT-UNMCSNQZSA-N 0 0 455.599 4.738 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@H](c2ncccc2C)C(C)(C)C)CC1 ZINC001439963130 1065898834 /nfs/dbraw/zinc/89/88/34/1065898834.db2.gz TZFJDGUTMIRAPJ-JOCHJYFZSA-N 0 0 458.002 4.808 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC001439984540 1065899930 /nfs/dbraw/zinc/89/99/30/1065899930.db2.gz HWEXKFNJABWPAJ-NHCUHLMSSA-N 0 0 452.595 4.568 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)NCCS(=O)(=O)Cc3ccccc3)c2cc1C ZINC001360786302 1065900459 /nfs/dbraw/zinc/90/04/59/1065900459.db2.gz VOJZJFZMNUFHPO-UHFFFAOYSA-N 0 0 458.583 4.863 20 0 JJADRN CC(C)(C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1)c1csc(-c2ccccc2F)n1 ZINC001360787003 1065900475 /nfs/dbraw/zinc/90/04/75/1065900475.db2.gz MKRPBFYMXOQARU-GOSISDBHSA-N 0 0 451.567 4.648 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NC3CCN(c4cccc(F)c4)CC3)CC2(Cl)Cl)cc1 ZINC001360786347 1065900530 /nfs/dbraw/zinc/90/05/30/1065900530.db2.gz XFRQTJVAFUJNRW-QFIPXVFZSA-N 0 0 451.369 4.825 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001360787079 1065900613 /nfs/dbraw/zinc/90/06/13/1065900613.db2.gz NUBZNFNXWYIKAY-MRXNPFEDSA-N 0 0 458.345 4.991 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)[C@@H]1c1ccccc1OC ZINC001440001211 1065901398 /nfs/dbraw/zinc/90/13/98/1065901398.db2.gz PQNOPXKAMWPRQR-KJWPAHLWSA-N 0 0 454.998 4.712 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)[C@H]1c1cccc(Cl)c1 ZINC001440005215 1065901860 /nfs/dbraw/zinc/90/18/60/1065901860.db2.gz ZUESLAGJZOSVHQ-DENIHFKCSA-N 0 0 459.373 4.634 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3ccc(Br)cc3OC(F)F)cc2)no1 ZINC001440019492 1065903010 /nfs/dbraw/zinc/90/30/10/1065903010.db2.gz QKHAVBDLBCILMA-UHFFFAOYSA-N 0 0 454.227 4.573 20 0 JJADRN CCc1c(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cnn1C(C)(C)C ZINC001440016498 1065903178 /nfs/dbraw/zinc/90/31/78/1065903178.db2.gz HMXCJUDGKKREMJ-UHFFFAOYSA-N 0 0 454.615 4.861 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C(=O)OC)c1F ZINC001440029950 1065904694 /nfs/dbraw/zinc/90/46/94/1065904694.db2.gz UJZYDFMKRFQMLJ-UHFFFAOYSA-N 0 0 457.479 4.763 20 0 JJADRN COc1ccc(SCCC(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cc1OC ZINC001440033083 1065905218 /nfs/dbraw/zinc/90/52/18/1065905218.db2.gz FZLSCXCJQHXNCK-UHFFFAOYSA-N 0 0 454.321 4.603 20 0 JJADRN CCc1nccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC001440035913 1065905627 /nfs/dbraw/zinc/90/56/27/1065905627.db2.gz UEUGTCGJBRGMCO-UHFFFAOYSA-N 0 0 459.575 4.843 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)OCc2cccc(C)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793025 1065907510 /nfs/dbraw/zinc/90/75/10/1065907510.db2.gz GTAONWQROCCDBR-IEZKXTBUSA-N 0 0 452.595 4.938 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 ZINC001360792936 1065907607 /nfs/dbraw/zinc/90/76/07/1065907607.db2.gz CZYXNONRTABPSL-UHFFFAOYSA-N 0 0 450.857 4.766 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)c12 ZINC001440060047 1065907755 /nfs/dbraw/zinc/90/77/55/1065907755.db2.gz SQBKILCZURDIAB-UHFFFAOYSA-N 0 0 459.428 4.559 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccc([C@H]3CCOC3)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360792819 1065907786 /nfs/dbraw/zinc/90/77/86/1065907786.db2.gz BKHJTBYIZFAQCJ-ISJGIBHGSA-N 0 0 450.579 4.842 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001360793450 1065908080 /nfs/dbraw/zinc/90/80/80/1065908080.db2.gz DSEPCCCPHGWOAI-WJPUGNRLSA-N 0 0 469.939 4.669 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cn(C)nc1-c1ccccc1)CC2 ZINC001440067220 1065908327 /nfs/dbraw/zinc/90/83/27/1065908327.db2.gz VRVKSZUKBKIDSH-QFIPXVFZSA-N 0 0 452.599 4.585 20 0 JJADRN CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1OCC ZINC001360793564 1065908143 /nfs/dbraw/zinc/90/81/43/1065908143.db2.gz LLPSPXDKMHAPDS-UHFFFAOYSA-N 0 0 455.532 4.932 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CC(OCc4ccccc4)C3)cc2)c1 ZINC001360793632 1065908167 /nfs/dbraw/zinc/90/81/67/1065908167.db2.gz MKPQMOHGKVFZNM-UHFFFAOYSA-N 0 0 451.544 4.816 20 0 JJADRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)CCc1ccc2c(c1)CCO2 ZINC001360794142 1065908684 /nfs/dbraw/zinc/90/86/84/1065908684.db2.gz RGPRRFNXEBEIMD-ZEQRLZLVSA-N 0 0 450.579 4.592 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCOC2CCCCCC2)cc1 ZINC001360794963 1065909135 /nfs/dbraw/zinc/90/91/35/1065909135.db2.gz VKRAZNQZMDBGTG-MHZLTWQESA-N 0 0 467.658 4.684 20 0 JJADRN C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001360795137 1065909227 /nfs/dbraw/zinc/90/92/27/1065909227.db2.gz ZEIZFJFPUYPDBF-QVKFZJNVSA-N 0 0 496.400 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)C1 ZINC001440075633 1065909301 /nfs/dbraw/zinc/90/93/01/1065909301.db2.gz GVOKMFVUAZTGKV-DTJFYBITSA-N 0 0 463.416 4.633 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(Cc3cccs3)Cc3ccncc3)o2)cc1 ZINC001440072841 1065909397 /nfs/dbraw/zinc/90/93/97/1065909397.db2.gz GGBRMTXUNWXBIJ-UHFFFAOYSA-N 0 0 452.561 4.523 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)c1ccc(C(C)(C)C)cc1 ZINC001360795287 1065909634 /nfs/dbraw/zinc/90/96/34/1065909634.db2.gz DJYRORPGBFRKPU-HXUWFJFHSA-N 0 0 455.555 4.760 20 0 JJADRN C[C@H](NC(=O)CCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC001440079479 1065910172 /nfs/dbraw/zinc/91/01/72/1065910172.db2.gz UEFWLOXVPXCLDY-ZDUSSCGKSA-N 0 0 459.921 4.620 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC001360796238 1065910212 /nfs/dbraw/zinc/91/02/12/1065910212.db2.gz QPONMTSIHAIFFU-ACCUITESSA-N 0 0 457.379 4.684 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2noc3c2CCCC3)c1 ZINC001440090034 1065910589 /nfs/dbraw/zinc/91/05/89/1065910589.db2.gz FYVBCGDMOXEISP-UHFFFAOYSA-N 0 0 453.564 4.801 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC001360799842 1065910718 /nfs/dbraw/zinc/91/07/18/1065910718.db2.gz OIHRRJFQUOMWKW-UHFFFAOYSA-N 0 0 453.764 4.504 20 0 JJADRN CC(C)(C)c1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CC(C)(C)C1 ZINC001360801338 1065911757 /nfs/dbraw/zinc/91/17/57/1065911757.db2.gz ALJQQLZBRWJXNZ-KRWDZBQOSA-N 0 0 459.038 4.915 20 0 JJADRN CC1(C)C[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CCCCO)C1CC1 ZINC001360801551 1065912199 /nfs/dbraw/zinc/91/21/99/1065912199.db2.gz HFTYHMJCGUQJJM-AWEZNQCLSA-N 0 0 451.384 4.634 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)c1Cl ZINC001440109888 1065912700 /nfs/dbraw/zinc/91/27/00/1065912700.db2.gz XFSBIHWDUCVRDW-UHFFFAOYSA-N 0 0 457.914 4.522 20 0 JJADRN CC1(C)CC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(Cl)=C(Cl)C2)C1 ZINC001360801732 1065912758 /nfs/dbraw/zinc/91/27/58/1065912758.db2.gz MJOZOKOFJNXODB-UHFFFAOYSA-N 0 0 454.427 4.605 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCCC[C@]34CCCN(C(=O)OC(C)(C)C)C4)cs2)n1C ZINC001440114972 1065913230 /nfs/dbraw/zinc/91/32/30/1065913230.db2.gz LHHITVBMYNQAIX-XMMPIXPASA-N 0 0 458.628 4.853 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)C(F)(F)F ZINC001440113332 1065913242 /nfs/dbraw/zinc/91/32/42/1065913242.db2.gz HMFWWYZVIUVNGR-SXHVTTPXSA-N 0 0 465.516 4.619 20 0 JJADRN CC1(C)CC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001360801869 1065913301 /nfs/dbraw/zinc/91/33/01/1065913301.db2.gz QRUIWWGCMAWPBY-UHFFFAOYSA-N 0 0 483.966 4.930 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001360802175 1065913798 /nfs/dbraw/zinc/91/37/98/1065913798.db2.gz AJAUVQHQVMUKAI-DQEYMECFSA-N 0 0 494.602 4.534 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360802759 1065914261 /nfs/dbraw/zinc/91/42/61/1065914261.db2.gz MZMJWCLGSVSYMZ-IFXJQAMLSA-N 0 0 484.485 4.782 20 0 JJADRN CC1(C)C[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360803314 1065914803 /nfs/dbraw/zinc/91/48/03/1065914803.db2.gz ZMUUPIFQEFACFE-AWEZNQCLSA-N 0 0 474.383 4.597 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360803315 1065914970 /nfs/dbraw/zinc/91/49/70/1065914970.db2.gz ZMUUPIFQEFACFE-CQSZACIVSA-N 0 0 474.383 4.597 20 0 JJADRN Cc1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1S(=O)(=O)NC1CC1 ZINC001360804178 1065915379 /nfs/dbraw/zinc/91/53/79/1065915379.db2.gz NVCDUDNIKICUDU-UHFFFAOYSA-N 0 0 459.365 4.604 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[C@@H](C)c2ccccc21 ZINC001440142002 1065915587 /nfs/dbraw/zinc/91/55/87/1065915587.db2.gz DBMKBGOTCAQSQV-QUGAMOGWSA-N 0 0 452.551 4.658 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360804848 1065915747 /nfs/dbraw/zinc/91/57/47/1065915747.db2.gz AABZELAICTXKOR-GOSISDBHSA-N 0 0 485.545 4.857 20 0 JJADRN O=C(NCc1cccc(OC(F)(F)F)c1)c1nn(-c2ccccc2F)cc1Br ZINC001440142453 1065915867 /nfs/dbraw/zinc/91/58/67/1065915867.db2.gz OCTKDLZIJPECFQ-UHFFFAOYSA-N 0 0 458.209 4.603 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360804927 1065916249 /nfs/dbraw/zinc/91/62/49/1065916249.db2.gz BXAHPCMVROMVPF-NRFANRHFSA-N 0 0 463.592 4.964 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(CC(N)=O)CC1 ZINC001360804996 1065916334 /nfs/dbraw/zinc/91/63/34/1065916334.db2.gz DWCVICQGXVNJMU-QGZVFWFLSA-N 0 0 474.447 4.626 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360805202 1065916851 /nfs/dbraw/zinc/91/68/51/1065916851.db2.gz KHHUFWFMFCWKNH-FQEVSTJZSA-N 0 0 458.050 4.831 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCO)CCOCC(F)(F)F ZINC001360805193 1065916922 /nfs/dbraw/zinc/91/69/22/1065916922.db2.gz KBSBFLCBJIJYBO-QGZVFWFLSA-N 0 0 474.955 4.802 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC[C@H](C)c2ccccc21 ZINC001440148182 1065917072 /nfs/dbraw/zinc/91/70/72/1065917072.db2.gz OHSYKFXKRHCLPU-MQNRADLISA-N 0 0 450.560 4.823 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC[C@H](C)c2ccccc21 ZINC001440148184 1065917081 /nfs/dbraw/zinc/91/70/81/1065917081.db2.gz OHSYKFXKRHCLPU-ODCWNRFASA-N 0 0 450.560 4.823 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805477 1065917297 /nfs/dbraw/zinc/91/72/97/1065917297.db2.gz RSMLQHGJIFIFHE-VGOFRKELSA-N 0 0 451.537 4.696 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C1 ZINC001360805480 1065917313 /nfs/dbraw/zinc/91/73/13/1065917313.db2.gz RTIKFHJHDVPNRL-OAHLLOKOSA-N 0 0 451.384 4.900 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cccc(Br)c3)n2CCOc2ncccc2F)C1 ZINC001360805455 1065917329 /nfs/dbraw/zinc/91/73/29/1065917329.db2.gz RCYPREDSWLZXFH-UHFFFAOYSA-N 0 0 474.378 4.947 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001440151307 1065917382 /nfs/dbraw/zinc/91/73/82/1065917382.db2.gz JXGPKIKVVGWECH-HNNXBMFYSA-N 0 0 453.967 4.675 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001360805639 1065917779 /nfs/dbraw/zinc/91/77/79/1065917779.db2.gz VZOZLGYTSSXGGC-NRFANRHFSA-N 0 0 491.602 4.785 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360805652 1065917854 /nfs/dbraw/zinc/91/78/54/1065917854.db2.gz WHDAZAGTTNBFMX-MSOLQXFVSA-N 0 0 466.598 4.656 20 0 JJADRN CC1(C)CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OCC(F)(F)F)C1 ZINC001360805898 1065918341 /nfs/dbraw/zinc/91/83/41/1065918341.db2.gz DZBDNQZCFDCUAV-SFHVURJKSA-N 0 0 452.521 4.788 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2ccc(Br)c(SC)c2)n1C ZINC001440159289 1065918484 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CC(C)(C)OC(=O)N(CCn1c(CCOc2ccccc2)nnc1N1CCCC(C)(C)C1)C1CC1 ZINC001360807793 1065919979 /nfs/dbraw/zinc/91/99/79/1065919979.db2.gz BJROOKKCCRQWQN-UHFFFAOYSA-N 0 0 483.657 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3cc(F)c(Cl)cc3Cl)n2)C1 ZINC001440170943 1065920102 /nfs/dbraw/zinc/92/01/02/1065920102.db2.gz HVWIUMSCKZJQRJ-NSHDSACASA-N 0 0 455.317 4.899 20 0 JJADRN COc1ccc2oc(C(=O)Nc3nccc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)c(C)c2c1 ZINC001440170741 1065920289 /nfs/dbraw/zinc/92/02/89/1065920289.db2.gz HJXCUCANVBESPB-OAHLLOKOSA-N 0 0 452.511 4.517 20 0 JJADRN CCOC(=O)c1csc(N2CCN(C(=O)c3cc(C)ccc3SC3CCCC3)CC2)n1 ZINC001440173861 1065920738 /nfs/dbraw/zinc/92/07/38/1065920738.db2.gz XXLZHHKUDJVWCI-UHFFFAOYSA-N 0 0 459.637 4.625 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC2CCOCC2)C1 ZINC001360808367 1065921536 /nfs/dbraw/zinc/92/15/36/1065921536.db2.gz MPDXIKUJDQIIGF-UHFFFAOYSA-N 0 0 463.022 4.723 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 ZINC001440182566 1065921889 /nfs/dbraw/zinc/92/18/89/1065921889.db2.gz KHYZXFSPFYLVIK-MAFNXUKGSA-N 0 0 455.602 4.524 20 0 JJADRN COc1cc(Cl)cc(C(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001440180962 1065922142 /nfs/dbraw/zinc/92/21/42/1065922142.db2.gz MDMMJPYPGWGVDJ-UHFFFAOYSA-N 0 0 450.885 4.753 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001440185073 1065922452 /nfs/dbraw/zinc/92/24/52/1065922452.db2.gz QBHPGKYYXBKVJP-IBGZPJMESA-N 0 0 452.436 4.907 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CCO[C@H](C(C)(C)C)CC2)cs1 ZINC001440189300 1065922519 /nfs/dbraw/zinc/92/25/19/1065922519.db2.gz YXYDHBRELGPEAS-KRWDZBQOSA-N 0 0 453.402 4.858 20 0 JJADRN CC(C)(C)c1csc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCCC(C)(C)C2)n1 ZINC001360808917 1065922686 /nfs/dbraw/zinc/92/26/86/1065922686.db2.gz XUWNXYFUMJOXRJ-UHFFFAOYSA-N 0 0 486.711 4.893 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCC(=O)N2CCC[C@@H](C)C2)cc1C ZINC001440197676 1065922904 /nfs/dbraw/zinc/92/29/04/1065922904.db2.gz JWTHBTBCZDJPGV-HXUWFJFHSA-N 0 0 458.606 4.594 20 0 JJADRN Cc1sc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)nc1Br ZINC001440194851 1065922922 /nfs/dbraw/zinc/92/29/22/1065922922.db2.gz PLYYEZORKNVEPH-UHFFFAOYSA-N 0 0 452.374 4.760 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCSc1ccccc1 ZINC001545928923 1065923220 /nfs/dbraw/zinc/92/32/20/1065923220.db2.gz MEZFPZRQTUBATI-OAQYLSRUSA-N 0 0 473.687 4.630 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001440201259 1065923497 /nfs/dbraw/zinc/92/34/97/1065923497.db2.gz WMYRPJHBZUKNJY-KYJSFNMBSA-N 0 0 477.365 4.569 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC001360809998 1065923792 /nfs/dbraw/zinc/92/37/92/1065923792.db2.gz NZGMVYXOPUSBCZ-NRFANRHFSA-N 0 0 450.922 4.712 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)cc21 ZINC001360810534 1065923817 /nfs/dbraw/zinc/92/38/17/1065923817.db2.gz SQEMLCFCYJVKAG-UHFFFAOYSA-N 0 0 458.349 4.832 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)c1 ZINC001360809784 1065923864 /nfs/dbraw/zinc/92/38/64/1065923864.db2.gz LMHOEHZXQWXYAN-UHFFFAOYSA-N 0 0 455.986 4.994 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc3occc(=O)c3c2)cc1 ZINC001440209852 1065924309 /nfs/dbraw/zinc/92/43/09/1065924309.db2.gz UDUINYDGBJNVJC-UHFFFAOYSA-N 0 0 451.525 4.600 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCN1CCCCCC1=O ZINC001360811015 1065924141 /nfs/dbraw/zinc/92/41/41/1065924141.db2.gz COMIJVFAWGOGPB-UHFFFAOYSA-N 0 0 474.447 4.879 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOC[C@H]1CCOC1 ZINC001360811306 1065924415 /nfs/dbraw/zinc/92/44/15/1065924415.db2.gz NAXSLQDMKRRSIO-QGZVFWFLSA-N 0 0 463.420 4.530 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCCCC1=O ZINC001360811032 1065924452 /nfs/dbraw/zinc/92/44/52/1065924452.db2.gz DJMQOXFFJSQQQJ-UHFFFAOYSA-N 0 0 474.447 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[C@H](C)c1ccc(OC)cc1 ZINC001545929292 1065925232 /nfs/dbraw/zinc/92/52/32/1065925232.db2.gz VXNCVRZVKRNBTF-CVDCTZTESA-N 0 0 485.673 4.650 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c1)C2 ZINC001440234107 1065925608 /nfs/dbraw/zinc/92/56/08/1065925608.db2.gz MTSZZJQHKOHYNN-PMACEKPBSA-N 0 0 454.636 4.675 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)N(c3cccc(Br)c3)C1)C2 ZINC001440230985 1065925623 /nfs/dbraw/zinc/92/56/23/1065925623.db2.gz DTZDQJKAARCSCX-SFHVURJKSA-N 0 0 455.396 4.684 20 0 JJADRN Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001360813624 1065926207 /nfs/dbraw/zinc/92/62/07/1065926207.db2.gz WBDIBUGTHUECJQ-RPWUZVMVSA-N 0 0 450.604 4.567 20 0 JJADRN CN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001360813603 1065926293 /nfs/dbraw/zinc/92/62/93/1065926293.db2.gz VOOXPBWEJWENRS-DHIUTWEWSA-N 0 0 456.995 4.983 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001440255807 1065926771 /nfs/dbraw/zinc/92/67/71/1065926771.db2.gz YVVUGYGBGSPRQP-INIZCTEOSA-N 0 0 453.564 4.725 20 0 JJADRN CC(C)(C)[S@](=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C)CC1 ZINC001360814014 1065926891 /nfs/dbraw/zinc/92/68/91/1065926891.db2.gz LNNNSTLMZAUYHZ-MUUNZHRXSA-N 0 0 467.477 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CCC[C@@H]12 ZINC001440273285 1065926955 /nfs/dbraw/zinc/92/69/55/1065926955.db2.gz GTZXLIOLOVUWDX-DVECYGJZSA-N 0 0 461.509 4.601 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)c(C)c2c1 ZINC001440275303 1065927316 /nfs/dbraw/zinc/92/73/16/1065927316.db2.gz JDIGGWHNRTXHHI-RLWLMLJZSA-N 0 0 454.567 4.925 20 0 JJADRN CC[C@H](CNC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C)Cc1cccc(Br)c1 ZINC001360814540 1065927366 /nfs/dbraw/zinc/92/73/66/1065927366.db2.gz HDVULGOUSPAZNH-XAEMIUIASA-N 0 0 465.432 4.924 20 0 JJADRN O=C(Oc1cc(Br)ccc1Br)c1ccn(CCc2ccccc2)n1 ZINC001440282021 1065927857 /nfs/dbraw/zinc/92/78/57/1065927857.db2.gz YGPFWQBMAPJFFV-UHFFFAOYSA-N 0 0 450.130 4.870 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001440282049 1065927872 /nfs/dbraw/zinc/92/78/72/1065927872.db2.gz BKQDVMKRGXOVJM-UHFFFAOYSA-N 0 0 451.331 4.981 20 0 JJADRN CC[C@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Cc1cccc(Br)c1 ZINC001360814755 1065928045 /nfs/dbraw/zinc/92/80/45/1065928045.db2.gz JYTLIGHWSCLKFF-INIZCTEOSA-N 0 0 453.384 4.906 20 0 JJADRN O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1cc(Cl)ccc1I ZINC001440284187 1065928246 /nfs/dbraw/zinc/92/82/46/1065928246.db2.gz HJTYACGEEHYROL-UHFFFAOYSA-N 0 0 450.059 4.622 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C)cc1 ZINC001440289324 1065928337 /nfs/dbraw/zinc/92/83/37/1065928337.db2.gz AFZOWFFNBGTSDT-JOCHJYFZSA-N 0 0 451.567 4.889 20 0 JJADRN Cc1cccc(CC(=O)N[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1Br ZINC001440296214 1065928381 /nfs/dbraw/zinc/92/83/81/1065928381.db2.gz LRPMAMUTEJYQGZ-FQEVSTJZSA-N 0 0 455.318 4.623 20 0 JJADRN CC[C@@H](CNC(=O)C[C@H](C)n1cc(Br)cn1)Cc1cccc(Br)c1 ZINC001360815215 1065928309 /nfs/dbraw/zinc/92/83/09/1065928309.db2.gz STEIGHQTFNTJLK-UONOGXRCSA-N 0 0 457.210 4.744 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(CN2CCCCC2=O)cc1)Cc1cccc(Br)c1 ZINC001360815136 1065928375 /nfs/dbraw/zinc/92/83/75/1065928375.db2.gz RSEWTIMFPDINNU-SFHVURJKSA-N 0 0 457.412 4.960 20 0 JJADRN CC[C@@H](c1ccncc1)N(C)C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC001360815151 1065928406 /nfs/dbraw/zinc/92/84/06/1065928406.db2.gz RZDNYVNXUAXJOK-DEOSSOPVSA-N 0 0 451.592 4.585 20 0 JJADRN CC[C@H](CNC(=O)C[C@H](C)n1cc(Br)cn1)Cc1cccc(Br)c1 ZINC001360815213 1065928425 /nfs/dbraw/zinc/92/84/25/1065928425.db2.gz STEIGHQTFNTJLK-KBPBESRZSA-N 0 0 457.210 4.744 20 0 JJADRN Cc1ccc(C[C@@H](C)N(C)C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC001360815313 1065928455 /nfs/dbraw/zinc/92/84/55/1065928455.db2.gz VPNRTLXDPQNDLJ-HXUWFJFHSA-N 0 0 457.603 4.819 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H](C)n1cc(Br)cn1)Cc1cccc(Br)c1 ZINC001360815214 1065928562 /nfs/dbraw/zinc/92/85/62/1065928562.db2.gz STEIGHQTFNTJLK-KGLIPLIRSA-N 0 0 457.210 4.744 20 0 JJADRN CC1(C)CCN(c2nnc(CC3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 ZINC001360816144 1065929013 /nfs/dbraw/zinc/92/90/13/1065929013.db2.gz ULLDDMWSENRSSQ-UHFFFAOYSA-N 0 0 458.672 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C)(C)CC3)n2CCCCCCO)CC1 ZINC001360815913 1065929047 /nfs/dbraw/zinc/92/90/47/1065929047.db2.gz OCLJHRBERCMAEF-UHFFFAOYSA-N 0 0 463.667 4.572 20 0 JJADRN CC1(C)CCO[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360817023 1065929546 /nfs/dbraw/zinc/92/95/46/1065929546.db2.gz CBIXYFGXFWOLLR-GOSISDBHSA-N 0 0 458.475 4.741 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001360817258 1065929952 /nfs/dbraw/zinc/92/99/52/1065929952.db2.gz JUSPGCDUOAOOSK-CJFMBICVSA-N 0 0 461.050 4.979 20 0 JJADRN O=C(CN1Cc2ccccc2C1=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001440328784 1065930106 /nfs/dbraw/zinc/93/01/06/1065930106.db2.gz JRCZZTQKRFHMTK-UHFFFAOYSA-N 0 0 453.420 4.552 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC001440328285 1065930271 /nfs/dbraw/zinc/93/02/71/1065930271.db2.gz FSFVHGUNXNKHPL-INIZCTEOSA-N 0 0 457.880 4.937 20 0 JJADRN CCCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c(OC2CCCC2)c1 ZINC001440335356 1065930632 /nfs/dbraw/zinc/93/06/32/1065930632.db2.gz GCKICRVLYHQNLK-UHFFFAOYSA-N 0 0 457.615 4.597 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC001440334615 1065930683 /nfs/dbraw/zinc/93/06/83/1065930683.db2.gz DYJFEQPQUDCFRY-UHFFFAOYSA-N 0 0 454.640 4.578 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C ZINC001440332817 1065930739 /nfs/dbraw/zinc/93/07/39/1065930739.db2.gz PTYWCPMHKZMJMY-UHFFFAOYSA-N 0 0 457.640 4.526 20 0 JJADRN CC1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360817762 1065930687 /nfs/dbraw/zinc/93/06/87/1065930687.db2.gz WTSAAYHEBPDSBM-MRXNPFEDSA-N 0 0 451.587 4.722 20 0 JJADRN CC1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(Cl)s2)CC1 ZINC001360817846 1065931119 /nfs/dbraw/zinc/93/11/19/1065931119.db2.gz YMBRBAOXGKFOIE-UHFFFAOYSA-N 0 0 464.060 4.854 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCOC2CCCC2)CCO1 ZINC001360819098 1065932067 /nfs/dbraw/zinc/93/20/67/1065932067.db2.gz PHPJNRCXLYKNNR-UHFFFAOYSA-N 0 0 463.420 4.672 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCSC2)CC(C)(C)O1 ZINC001360819505 1065932451 /nfs/dbraw/zinc/93/24/51/1065932451.db2.gz YNGNVWSWEODHOO-OAHLLOKOSA-N 0 0 465.461 4.855 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)ccc2c1 ZINC001360819559 1065932463 /nfs/dbraw/zinc/93/24/63/1065932463.db2.gz AIXLULRBHYYLSC-HNNXBMFYSA-N 0 0 459.951 4.814 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C)C1(C)C ZINC001440366444 1065933129 /nfs/dbraw/zinc/93/31/29/1065933129.db2.gz CGYRQEHQNARMDM-IIBYNOLFSA-N 0 0 455.393 4.795 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(N3CCSC(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001360820870 1065933825 /nfs/dbraw/zinc/93/38/25/1065933825.db2.gz KMWAGVPKUCPLMQ-UHFFFAOYSA-N 0 0 478.728 4.788 20 0 JJADRN CN(C)[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1ccccc1Cl ZINC001440374833 1065933941 /nfs/dbraw/zinc/93/39/41/1065933941.db2.gz MUDOGNATKRCLFG-LJQANCHMSA-N 0 0 451.398 4.946 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(Nc2nccs2)c1 ZINC001440375716 1065934256 /nfs/dbraw/zinc/93/42/56/1065934256.db2.gz UTMVWUSUXMVFRY-UHFFFAOYSA-N 0 0 456.593 4.704 20 0 JJADRN CC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCn2cc(Cl)cn2)CC(C)(C)O1 ZINC001360821029 1065934493 /nfs/dbraw/zinc/93/44/93/1065934493.db2.gz PLRVKWBIKRYSHO-UHFFFAOYSA-N 0 0 493.837 4.652 20 0 JJADRN CC1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2ccccn2)CCO1 ZINC001360820997 1065934516 /nfs/dbraw/zinc/93/45/16/1065934516.db2.gz NZIODSCMQFCQAU-UHFFFAOYSA-N 0 0 476.806 4.614 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440379745 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ZINC001440576069 1065951287 /nfs/dbraw/zinc/95/12/87/1065951287.db2.gz FWQXVDDYWCGHEC-UHFFFAOYSA-N 0 0 451.523 4.987 20 0 JJADRN CC[C@](C)(NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1nccs1 ZINC001360842893 1065951353 /nfs/dbraw/zinc/95/13/53/1065951353.db2.gz HGZCJWVKSAQSRB-AWEZNQCLSA-N 0 0 454.255 4.822 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(C)CCC2)C1 ZINC001360842179 1065951372 /nfs/dbraw/zinc/95/13/72/1065951372.db2.gz RHZZYLTVQMPCMK-GOSISDBHSA-N 0 0 457.594 4.549 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)CC2)CC1 ZINC001360842338 1065951416 /nfs/dbraw/zinc/95/14/16/1065951416.db2.gz UNWHZLSHEXMQQN-UHFFFAOYSA-N 0 0 475.584 4.831 20 0 JJADRN CC(C)(C)C1=CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CCCS2)CC1 ZINC001360842998 1065951708 /nfs/dbraw/zinc/95/17/08/1065951708.db2.gz AGERFJUBRUDBAP-HSZRJFAPSA-N 0 0 459.685 4.738 20 0 JJADRN CCCOc1ccc(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCCC ZINC001440578691 1065951958 /nfs/dbraw/zinc/95/19/58/1065951958.db2.gz RFTCZRCWSKDJFB-IBGZPJMESA-N 0 0 450.576 4.619 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc3[nH]cc(I)c3c2)cc1OCC ZINC001440577386 1065952000 /nfs/dbraw/zinc/95/20/00/1065952000.db2.gz KMSULAVNWQJZDB-UHFFFAOYSA-N 0 0 450.276 4.822 20 0 JJADRN CC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C)CCOCC2)CCS1 ZINC001360843449 1065952341 /nfs/dbraw/zinc/95/23/41/1065952341.db2.gz INBCDLSVEPOKHT-UHFFFAOYSA-N 0 0 451.036 4.659 20 0 JJADRN COc1ccc(NC(=O)/C=C/c2ccncc2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440592517 1065952442 /nfs/dbraw/zinc/95/24/42/1065952442.db2.gz FTLRTYNRYDJZIU-JXMROGBWSA-N 0 0 457.939 4.505 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1I ZINC001440588839 1065952523 /nfs/dbraw/zinc/95/25/23/1065952523.db2.gz PQSIZAIBORMHLG-ZIAGYGMSSA-N 0 0 458.340 4.574 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)c(C)n2)c2ccccc2)cc1 ZINC001360845387 1065953320 /nfs/dbraw/zinc/95/33/20/1065953320.db2.gz XXXJJFDQKWPXMO-FQEVSTJZSA-N 0 0 452.352 4.961 20 0 JJADRN COc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440593498 1065953277 /nfs/dbraw/zinc/95/32/77/1065953277.db2.gz ICWJADJQEJJZKN-NSHDSACASA-N 0 0 450.866 4.676 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC001440613944 1065954326 /nfs/dbraw/zinc/95/43/26/1065954326.db2.gz DZRNIIRRIYNFMR-UHFFFAOYSA-N 0 0 453.926 4.578 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c2)nn1 ZINC001440617501 1065954598 /nfs/dbraw/zinc/95/45/98/1065954598.db2.gz MDLXWRLPJDWWPM-UHFFFAOYSA-N 0 0 455.484 4.505 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001440618422 1065955046 /nfs/dbraw/zinc/95/50/46/1065955046.db2.gz RUCWUUVRWGFFTL-UHFFFAOYSA-N 0 0 456.455 4.929 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001440619864 1065955076 /nfs/dbraw/zinc/95/50/76/1065955076.db2.gz ZAWQAXVYBCFSKY-XUZZJYLKSA-N 0 0 457.659 4.542 20 0 JJADRN Cc1cccc(OCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 ZINC001440620607 1065955144 /nfs/dbraw/zinc/95/51/44/1065955144.db2.gz SMRXZBZGEABYOX-LJQANCHMSA-N 0 0 452.473 4.775 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360847355 1065955434 /nfs/dbraw/zinc/95/54/34/1065955434.db2.gz LQERKVUFHHDUID-ZWKOTPCHSA-N 0 0 479.691 4.545 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360847350 1065955472 /nfs/dbraw/zinc/95/54/72/1065955472.db2.gz LPFZFIFMNLCQSQ-MOPGFXCFSA-N 0 0 493.718 4.935 20 0 JJADRN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC001440628703 1065955532 /nfs/dbraw/zinc/95/55/32/1065955532.db2.gz UQCXTDCZZJLNKO-GOSISDBHSA-N 0 0 458.528 4.808 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360847352 1065955540 /nfs/dbraw/zinc/95/55/40/1065955540.db2.gz LPFZFIFMNLCQSQ-RBUKOAKNSA-N 0 0 493.718 4.935 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(C3CCCC3)n2CCCc2nccs2)CC1 ZINC001360847307 1065955584 /nfs/dbraw/zinc/95/55/84/1065955584.db2.gz KDUDPFDLAWUJTI-UHFFFAOYSA-N 0 0 474.675 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)n[nH]2)C1 ZINC001440635918 1065955970 /nfs/dbraw/zinc/95/59/70/1065955970.db2.gz HDJUHTZQXJKREM-SFHVURJKSA-N 0 0 453.587 4.767 20 0 JJADRN Cc1sc(C)c(Cn2c(C)nnc2N2CCC[C@@H](C[C@H]3CCOC3)C2)c1Br ZINC001360848661 1065957241 /nfs/dbraw/zinc/95/72/41/1065957241.db2.gz APYDVDCHXDSAJG-DLBZAZTESA-N 0 0 453.450 4.719 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC001440643842 1065957378 /nfs/dbraw/zinc/95/73/78/1065957378.db2.gz AFJMRYZFUYTKCP-UHFFFAOYSA-N 0 0 459.409 4.734 20 0 JJADRN Cc1sc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N(CC(C)C)C(C)C)c1Br ZINC001360848714 1065957323 /nfs/dbraw/zinc/95/73/23/1065957323.db2.gz CHZSBDYXZSZIJO-UHFFFAOYSA-N 0 0 482.492 4.874 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)cc2)c1Br ZINC001360848703 1065957461 /nfs/dbraw/zinc/95/74/61/1065957461.db2.gz CFPVAGGIMMHEHV-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CNC(=O)C2CCCCC2)cc1C ZINC001440647564 1065958125 /nfs/dbraw/zinc/95/81/25/1065958125.db2.gz PKCHOIDEOMKHSF-UHFFFAOYSA-N 0 0 458.606 4.811 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)o2)ccc1Cl ZINC001440647064 1065958165 /nfs/dbraw/zinc/95/81/65/1065958165.db2.gz PBGXOBLWDPHKSC-UHFFFAOYSA-N 0 0 456.895 4.828 20 0 JJADRN C[C@@]1(Br)C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648602 1065958434 /nfs/dbraw/zinc/95/84/34/1065958434.db2.gz CTOCCIHYXFILBO-OXQOHEQNSA-N 0 0 453.833 4.886 20 0 JJADRN CCC[C@H](C)N(C(=O)c1ccc(-c2ncnn2CC)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001360849427 1065959462 /nfs/dbraw/zinc/95/94/62/1065959462.db2.gz CXXNUEJYOGGGRK-HNNXBMFYSA-N 0 0 455.584 4.742 20 0 JJADRN CCCc1ccc(-c2nc(NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657792 1065959568 /nfs/dbraw/zinc/95/95/68/1065959568.db2.gz AZAAGCLWOWYCGJ-HXUWFJFHSA-N 0 0 453.612 4.506 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001440659578 1065959899 /nfs/dbraw/zinc/95/98/99/1065959899.db2.gz SSADQBKADKIICW-UHFFFAOYSA-N 0 0 450.516 4.650 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(Br)cc1C(F)(F)F ZINC001360850112 1065960278 /nfs/dbraw/zinc/96/02/78/1065960278.db2.gz RFCKBTGFXJSCFP-UHFFFAOYSA-N 0 0 457.168 4.734 20 0 JJADRN CCC[C@@H](C)N(C(=O)CCCn1c2ccccc2oc1=O)c1nc(C)c(C(=O)OCC)s1 ZINC001360850314 1065960303 /nfs/dbraw/zinc/96/03/03/1065960303.db2.gz ZTMZHHOVGZZCDE-OAHLLOKOSA-N 0 0 459.568 4.538 20 0 JJADRN Cc1ccc(OCCN(C)C(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 ZINC001440665125 1065960504 /nfs/dbraw/zinc/96/05/04/1065960504.db2.gz ISRJUSQKJGSXMP-QFIPXVFZSA-N 0 0 452.551 4.714 20 0 JJADRN Cc1sc(C)c(Cn2c([C@H]3CCCO3)nnc2N2CCSC[C@H]2C)c1Br ZINC001360850552 1065961003 /nfs/dbraw/zinc/96/10/03/1065961003.db2.gz IBZQZOYKLVHXLU-IAQYHMDHSA-N 0 0 457.463 4.560 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2CCc2nc3c(s2)CCCC3)CC1 ZINC001360850551 1065961024 /nfs/dbraw/zinc/96/10/24/1065961024.db2.gz HYKWYWBSRZRNPZ-UHFFFAOYSA-N 0 0 450.450 4.859 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(=O)Nc3ccccn3)n2CCCSCC(C)C)CC1 ZINC001360850595 1065961149 /nfs/dbraw/zinc/96/11/49/1065961149.db2.gz JJHOMUNBVKCTCW-UHFFFAOYSA-N 0 0 493.475 4.584 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001360850645 1065961464 /nfs/dbraw/zinc/96/14/64/1065961464.db2.gz KNCIBFKOMPHTPN-JXXFODFXSA-N 0 0 479.394 4.861 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC(C)C)CC2)CC1 ZINC001360850788 1065961953 /nfs/dbraw/zinc/96/19/53/1065961953.db2.gz QAKQFGXNVMIZPY-UHFFFAOYSA-N 0 0 473.419 4.631 20 0 JJADRN Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)c1Br ZINC001360850899 1065962784 /nfs/dbraw/zinc/96/27/84/1065962784.db2.gz UCKPVNMVFOYHCI-NYTJIUQPSA-N 0 0 481.504 4.953 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C ZINC001440676366 1065962853 /nfs/dbraw/zinc/96/28/53/1065962853.db2.gz ZTKHHPLHPPFIJS-SFHVURJKSA-N 0 0 452.555 4.824 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC2)CC1 ZINC001360851122 1065963684 /nfs/dbraw/zinc/96/36/84/1065963684.db2.gz BKAYJKOSAZXUTH-LBPRGKRZSA-N 0 0 488.249 4.685 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccnc3)nnc2N2CCC(C)=C(Br)C2)s1 ZINC001360851133 1065963766 /nfs/dbraw/zinc/96/37/66/1065963766.db2.gz BYGFLBOTGIUBJQ-UHFFFAOYSA-N 0 0 459.417 4.535 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360851302 1065964212 /nfs/dbraw/zinc/96/42/12/1065964212.db2.gz GLBXBKXPZMDKSE-UHFFFAOYSA-N 0 0 498.828 4.921 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC001440679251 1065964313 /nfs/dbraw/zinc/96/43/13/1065964313.db2.gz FMZHIVCKPQVBPC-FQEVSTJZSA-N 0 0 450.529 4.974 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)CC2)CC1 ZINC001360851422 1065964715 /nfs/dbraw/zinc/96/47/15/1065964715.db2.gz JYVMGQFSHFIVKI-UHFFFAOYSA-N 0 0 469.225 4.725 20 0 JJADRN Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@](C)(O)c1ccco1 ZINC001360851590 1065965141 /nfs/dbraw/zinc/96/51/41/1065965141.db2.gz NLEPSWKRFKNLQE-JOCHJYFZSA-N 0 0 457.372 4.633 20 0 JJADRN O=C([C@H](O)c1ccccc1Cl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001440681778 1065965521 /nfs/dbraw/zinc/96/55/21/1065965521.db2.gz NQQUXXPKUNQLIY-XMMPIXPASA-N 0 0 456.920 4.585 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001360851829 1065966016 /nfs/dbraw/zinc/96/60/16/1065966016.db2.gz RUJKXUJJBMCCSJ-UHFFFAOYSA-N 0 0 494.409 4.878 20 0 JJADRN Cc1ccc(F)cc1C(=O)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001440683818 1065966274 /nfs/dbraw/zinc/96/62/74/1065966274.db2.gz YCYMVQHTYGDVCE-UHFFFAOYSA-N 0 0 452.476 4.529 20 0 JJADRN CC(C)(CNC(=O)c1cc2c(cc1Cl)NC(=O)C2)Sc1ccc(Br)cc1 ZINC001360851876 1065966391 /nfs/dbraw/zinc/96/63/91/1065966391.db2.gz LIIIFSHOPSCSPH-UHFFFAOYSA-N 0 0 453.789 4.898 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3)[nH]n2)c1C ZINC001440685425 1065966542 /nfs/dbraw/zinc/96/65/42/1065966542.db2.gz NYXMWOHTKDFTCD-FQEVSTJZSA-N 0 0 451.571 4.503 20 0 JJADRN CC(C)COCCCNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001440687765 1065966980 /nfs/dbraw/zinc/96/69/80/1065966980.db2.gz UPEMPUMUABIAKA-VWLOTQADSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2Cc2ccc([C@H](C)O)cc2)o1 ZINC001360852041 1065967050 /nfs/dbraw/zinc/96/70/50/1065967050.db2.gz WCJDNCBQWVFLHN-INIZCTEOSA-N 0 0 457.372 4.827 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(Cl)cc2ccccc21 ZINC001440699940 1065967319 /nfs/dbraw/zinc/96/73/19/1065967319.db2.gz MMFWSTQQMPGGTJ-UHFFFAOYSA-N 0 0 451.910 4.822 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)N[C@H]1CCSc2ccc(F)cc21 ZINC001440688995 1065967365 /nfs/dbraw/zinc/96/73/65/1065967365.db2.gz YLOGJQYBLVIVTJ-ORAYPTAESA-N 0 0 456.486 4.929 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccnc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001360852157 1065967542 /nfs/dbraw/zinc/96/75/42/1065967542.db2.gz ZHZISLVDSSHARU-UHFFFAOYSA-N 0 0 487.402 4.571 20 0 JJADRN CCNC(=O)N1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 ZINC001440703598 1065967702 /nfs/dbraw/zinc/96/77/02/1065967702.db2.gz BSMMZCIODAZYRY-UHFFFAOYSA-N 0 0 457.983 4.866 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001440702377 1065967755 /nfs/dbraw/zinc/96/77/55/1065967755.db2.gz CPWKGZZCVACVAW-RCZSKKKRSA-N 0 0 456.608 4.975 20 0 JJADRN O=C(NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001360852871 1065968031 /nfs/dbraw/zinc/96/80/31/1065968031.db2.gz SPORKPMPUPZVTN-LJQANCHMSA-N 0 0 453.336 4.606 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360853197 1065968807 /nfs/dbraw/zinc/96/88/07/1065968807.db2.gz GVFSQYUNWCDROQ-OAHLLOKOSA-N 0 0 478.401 4.630 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cs1 ZINC001440709926 1065969028 /nfs/dbraw/zinc/96/90/28/1065969028.db2.gz ZIXIXVHPLHKNHY-XOBRGWDASA-N 0 0 457.596 4.768 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2CCCO[C@H]2C(C)C)cs1 ZINC001360853367 1065969296 /nfs/dbraw/zinc/96/92/96/1065969296.db2.gz BMFSHRNWUYBBQY-UTKZUKDTSA-N 0 0 494.503 4.964 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)cs1 ZINC001360853362 1065969450 /nfs/dbraw/zinc/96/94/50/1065969450.db2.gz BMFSHRNWUYBBQY-DYESRHJHSA-N 0 0 494.503 4.964 20 0 JJADRN COc1cccc(N(CC(=O)N(C)Cc2ccccc2N2CCCC2)C(=O)OC(C)(C)C)c1 ZINC001440713477 1065969977 /nfs/dbraw/zinc/96/99/77/1065969977.db2.gz ICWHVRMUOLROHV-UHFFFAOYSA-N 0 0 453.583 4.696 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360853616 1065970296 /nfs/dbraw/zinc/97/02/96/1065970296.db2.gz LZTMVTSIJXDHEP-CQSZACIVSA-N 0 0 486.336 4.513 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccncc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360853585 1065970325 /nfs/dbraw/zinc/97/03/25/1065970325.db2.gz IDLMQXIEGWBXMK-UHFFFAOYSA-N 0 0 458.429 4.756 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)c2)n1 ZINC001440714176 1065970435 /nfs/dbraw/zinc/97/04/35/1065970435.db2.gz NWPVQJBNTKBRGY-NRFANRHFSA-N 0 0 451.983 4.970 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCCc2ccc(-c3csc(C)n3)s2)[C@H]1c1cccc(C)c1 ZINC001440714109 1065970506 /nfs/dbraw/zinc/97/05/06/1065970506.db2.gz UXUVGPPGBVMYFS-WMZHIEFXSA-N 0 0 453.633 4.757 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(F)c2F)CC1 ZINC001360853651 1065970733 /nfs/dbraw/zinc/97/07/33/1065970733.db2.gz MTAUWLDUCAHKOR-INIZCTEOSA-N 0 0 467.358 4.572 20 0 JJADRN CN(Cc1ccccc1N1CCCC1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001440715993 1065970979 /nfs/dbraw/zinc/97/09/79/1065970979.db2.gz REWYGJMHGZBEHG-NRFANRHFSA-N 0 0 454.571 4.619 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CCCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001360853810 1065971167 /nfs/dbraw/zinc/97/11/67/1065971167.db2.gz KPHFVLUHJRYHHX-UHFFFAOYSA-N 0 0 476.394 4.668 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001360853869 1065971356 /nfs/dbraw/zinc/97/13/56/1065971356.db2.gz LUFAGFDZWCBIAJ-UHFFFAOYSA-N 0 0 490.352 4.793 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2Cc2c(F)cccc2Cl)CC1 ZINC001360853918 1065971606 /nfs/dbraw/zinc/97/16/06/1065971606.db2.gz MPDYBRQPGUEVNB-UHFFFAOYSA-N 0 0 476.781 4.984 20 0 JJADRN CCc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)nnn1-c1cccc(Cl)c1 ZINC001440733593 1065971966 /nfs/dbraw/zinc/97/19/66/1065971966.db2.gz LPNBFQABOZXGAN-OAQYLSRUSA-N 0 0 458.393 4.703 20 0 JJADRN CCc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)nnn1-c1cccc(Cl)c1 ZINC001440733588 1065972215 /nfs/dbraw/zinc/97/22/15/1065972215.db2.gz LPNBFQABOZXGAN-NRFANRHFSA-N 0 0 458.393 4.703 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2CCCOc2ccccc2)cs1 ZINC001360854174 1065972575 /nfs/dbraw/zinc/97/25/75/1065972575.db2.gz RPUDQULRZIUVHP-UHFFFAOYSA-N 0 0 488.455 4.982 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C)Oc2ccccc2)cs1 ZINC001360854176 1065972585 /nfs/dbraw/zinc/97/25/85/1065972585.db2.gz RTDAGPICEKFEKS-INIZCTEOSA-N 0 0 488.455 4.980 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001360854192 1065972649 /nfs/dbraw/zinc/97/26/49/1065972649.db2.gz TXLNRPGRTDICOM-QGZVFWFLSA-N 0 0 482.810 4.526 20 0 JJADRN Cc1ccc(NC(=O)C(F)(F)c2nccs2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440734362 1065972638 /nfs/dbraw/zinc/97/26/38/1065972638.db2.gz OXMVVBRSZVNNNF-UHFFFAOYSA-N 0 0 457.911 4.636 20 0 JJADRN COc1cc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c(C(=O)N2CCCC2)cc1OC ZINC001440735233 1065972810 /nfs/dbraw/zinc/97/28/10/1065972810.db2.gz AOLUDBLWQREAQZ-AWEZNQCLSA-N 0 0 450.457 4.701 20 0 JJADRN Cc1nnc(CCn2c(CCCc3ccccc3)nnc2N2CCC(C)=C(Br)C2)s1 ZINC001360854287 1065973163 /nfs/dbraw/zinc/97/31/63/1065973163.db2.gz UHCMOVWIGGPFEY-UHFFFAOYSA-N 0 0 487.471 4.735 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2CCSc2ccccc2)CC1 ZINC001360854305 1065973189 /nfs/dbraw/zinc/97/31/89/1065973189.db2.gz XKWFITCKZOKSAD-KRWDZBQOSA-N 0 0 463.445 4.843 20 0 JJADRN COc1ccc(NC(=O)C(F)(F)c2ncccc2Br)cc1OCC(F)(F)F ZINC001440738706 1065973729 /nfs/dbraw/zinc/97/37/29/1065973729.db2.gz PVAQPDPQEQBTDV-UHFFFAOYSA-N 0 0 455.177 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC001440744681 1065974751 /nfs/dbraw/zinc/97/47/51/1065974751.db2.gz IDQURIBAXHJYCC-UHFFFAOYSA-N 0 0 453.461 4.738 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001360856519 1065974888 /nfs/dbraw/zinc/97/48/88/1065974888.db2.gz BZKYAEXSXODIQV-UHFFFAOYSA-N 0 0 450.343 4.989 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1OCC ZINC001440748678 1065975640 /nfs/dbraw/zinc/97/56/40/1065975640.db2.gz UMMYYYMEJOHSKG-UHFFFAOYSA-N 0 0 459.546 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC001440750379 1065975984 /nfs/dbraw/zinc/97/59/84/1065975984.db2.gz CHVGLAOUIWAXLO-PTUXOGIPSA-N 0 0 452.599 4.506 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc3ccc(C)cc3)cc1)CCC2 ZINC001545935558 1065976419 /nfs/dbraw/zinc/97/64/19/1065976419.db2.gz LSRUIOBOTQLXCK-DEOSSOPVSA-N 0 0 450.560 4.612 20 0 JJADRN CCOc1ccc(OCC)c(NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c1 ZINC001440754699 1065976636 /nfs/dbraw/zinc/97/66/36/1065976636.db2.gz SYMAEZANJFKDGC-HXUWFJFHSA-N 0 0 454.470 4.872 20 0 JJADRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001440756837 1065977068 /nfs/dbraw/zinc/97/70/68/1065977068.db2.gz SIHGGPJIRVMVHG-KRWDZBQOSA-N 0 0 453.395 4.563 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC001440764374 1065977605 /nfs/dbraw/zinc/97/76/05/1065977605.db2.gz CUKFPXZJAXPOEQ-KRWDZBQOSA-N 0 0 452.805 4.844 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001360858345 1065977686 /nfs/dbraw/zinc/97/76/86/1065977686.db2.gz HUYZAEYDDAJNLZ-LPHOPBHVSA-N 0 0 471.005 4.730 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](C)C1 ZINC001360858479 1065977723 /nfs/dbraw/zinc/97/77/23/1065977723.db2.gz MFNIVOXGDPRBQL-AZUAARDMSA-N 0 0 483.588 4.905 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCCCC1 ZINC001360858324 1065977744 /nfs/dbraw/zinc/97/77/44/1065977744.db2.gz GYVZDMYLSGYRGW-UHFFFAOYSA-N 0 0 489.418 4.526 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360858583 1065978155 /nfs/dbraw/zinc/97/81/55/1065978155.db2.gz OZEWHJSOZVJLPH-INIZCTEOSA-N 0 0 477.943 4.802 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360858737 1065978202 /nfs/dbraw/zinc/97/82/02/1065978202.db2.gz UOANODGYFYGDOS-KDOFPFPSSA-N 0 0 480.371 4.768 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1C ZINC001360859450 1065978975 /nfs/dbraw/zinc/97/89/75/1065978975.db2.gz PMLGOEMHTXSJIJ-UHFFFAOYSA-N 0 0 452.345 4.580 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001360861651 1065979379 /nfs/dbraw/zinc/97/93/79/1065979379.db2.gz PMISMIWHAIURMF-IBGZPJMESA-N 0 0 463.607 4.849 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC001440788837 1065979378 /nfs/dbraw/zinc/97/93/78/1065979378.db2.gz NAFUVHQTYNUVTR-UHFFFAOYSA-N 0 0 451.567 4.641 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001360861861 1065979876 /nfs/dbraw/zinc/97/98/76/1065979876.db2.gz XKOJHYSPTUJPDD-NQIIRXRSSA-N 0 0 469.561 4.578 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)cc1C ZINC001440797075 1065980035 /nfs/dbraw/zinc/98/00/35/1065980035.db2.gz NGRRDHQZRYQISW-UHFFFAOYSA-N 0 0 458.543 4.814 20 0 JJADRN CCC(CC)[C@@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)N1CCOCC1 ZINC001440796226 1065980059 /nfs/dbraw/zinc/98/00/59/1065980059.db2.gz INHWNXUVJJVLOA-HRAATJIYSA-N 0 0 450.048 4.622 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCC2(C)C)c1C ZINC001360862243 1065980201 /nfs/dbraw/zinc/98/02/01/1065980201.db2.gz KGCOWNDWNJDDNK-DWACAAAGSA-N 0 0 497.684 4.837 20 0 JJADRN Cc1c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)[nH]c2ccc1Br ZINC001440813860 1065980259 /nfs/dbraw/zinc/98/02/59/1065980259.db2.gz ABEWNQOKJQUDNP-UHFFFAOYSA-N 0 0 455.356 4.580 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC[C@@H](F)C2)c1C ZINC001360862228 1065980324 /nfs/dbraw/zinc/98/03/24/1065980324.db2.gz JGWZKEIAFBRVML-PKOBYXMFSA-N 0 0 470.980 4.823 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)ccc1F ZINC001440818821 1065980682 /nfs/dbraw/zinc/98/06/82/1065980682.db2.gz OIKQFOFVRRMHDT-UHFFFAOYSA-N 0 0 456.564 4.652 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccc(N3CCCC3)nc2)cs1 ZINC001440819601 1065980747 /nfs/dbraw/zinc/98/07/47/1065980747.db2.gz SFTJQMWYQMRIKS-UHFFFAOYSA-N 0 0 459.369 4.829 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCO[C@H]2C(C)C)c1C ZINC001360862796 1065981320 /nfs/dbraw/zinc/98/13/20/1065981320.db2.gz WWSMLHYGJBMHSQ-YKSBVNFPSA-N 0 0 497.043 4.746 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(Cl)s2)c1C ZINC001360862821 1065981341 /nfs/dbraw/zinc/98/13/41/1065981341.db2.gz XRJVOEOXEHDOEQ-UHFFFAOYSA-N 0 0 466.998 4.795 20 0 JJADRN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@@H](c2ccco2)C1 ZINC001360863179 1065981906 /nfs/dbraw/zinc/98/19/06/1065981906.db2.gz MJKBOSMFAXUHTA-OXJNMPFZSA-N 0 0 459.384 4.894 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C(C)C)cc1 ZINC001440824684 1065981894 /nfs/dbraw/zinc/98/18/94/1065981894.db2.gz ALDCQJXMHBXMSR-PZJWPPBQSA-N 0 0 452.498 4.958 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC001440826261 1065982001 /nfs/dbraw/zinc/98/20/01/1065982001.db2.gz FTKUAVGINYJVDX-NRFANRHFSA-N 0 0 457.423 4.909 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccnc2)C(C)C)c1C ZINC001360864610 1065982517 /nfs/dbraw/zinc/98/25/17/1065982517.db2.gz CXALYTGMDZZWPY-QFIPXVFZSA-N 0 0 471.609 4.800 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCOC2CCCCCC2)c1C ZINC001360864318 1065982604 /nfs/dbraw/zinc/98/26/04/1065982604.db2.gz ACCAGWXOKPYBEJ-UHFFFAOYSA-N 0 0 455.647 4.908 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001360864197 1065982807 /nfs/dbraw/zinc/98/28/07/1065982807.db2.gz PQHHNBHYDYBOIH-OAQYLSRUSA-N 0 0 456.876 4.733 20 0 JJADRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC001440832607 1065983064 /nfs/dbraw/zinc/98/30/64/1065983064.db2.gz LCMZWGUVSSBRIG-HNNXBMFYSA-N 0 0 459.365 4.992 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCC2(F)F)c1C ZINC001360864826 1065983122 /nfs/dbraw/zinc/98/31/22/1065983122.db2.gz JPQGLBKEOLTBRG-NRFANRHFSA-N 0 0 482.579 4.781 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C(C)C)cc1 ZINC001440835620 1065983149 /nfs/dbraw/zinc/98/31/49/1065983149.db2.gz UVSNTWBHESDBLM-HSZRJFAPSA-N 0 0 456.539 4.762 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(OC)c1OC ZINC001440837682 1065983686 /nfs/dbraw/zinc/98/36/86/1065983686.db2.gz VSDIYUAKWSMZLO-UHFFFAOYSA-N 0 0 450.535 4.563 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1C ZINC001360865462 1065984093 /nfs/dbraw/zinc/98/40/93/1065984093.db2.gz BUWKQRXAGZESAZ-HXUWFJFHSA-N 0 0 459.635 4.994 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC001440861764 1065984368 /nfs/dbraw/zinc/98/43/68/1065984368.db2.gz HTOTVQKIBPBZMR-UHFFFAOYSA-N 0 0 450.445 4.966 20 0 JJADRN CC[C@]1(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863680 1065984633 /nfs/dbraw/zinc/98/46/33/1065984633.db2.gz KBLWBEIXTMLFEA-XMMPIXPASA-N 0 0 450.023 4.554 20 0 JJADRN CC[C@@]1(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001440863679 1065984927 /nfs/dbraw/zinc/98/49/27/1065984927.db2.gz KBLWBEIXTMLFEA-DEOSSOPVSA-N 0 0 450.023 4.554 20 0 JJADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1CCCCC1 ZINC001440866633 1065985409 /nfs/dbraw/zinc/98/54/09/1065985409.db2.gz JPWHPEPPQRUGGG-CJAUYULYSA-N 0 0 450.579 4.720 20 0 JJADRN Cn1cccc1[C@H]1CCCCCN1C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440868143 1065985678 /nfs/dbraw/zinc/98/56/78/1065985678.db2.gz QLBCKFJXURZFAE-DYESRHJHSA-N 0 0 451.514 4.919 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001440867691 1065985745 /nfs/dbraw/zinc/98/57/45/1065985745.db2.gz UNDOYIVPKAFLKB-QGZVFWFLSA-N 0 0 451.876 4.951 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2CCOc2ncccc2F)c1C ZINC001360865824 1065985733 /nfs/dbraw/zinc/98/57/33/1065985733.db2.gz JCRCJNGSOKOMGG-INIZCTEOSA-N 0 0 467.467 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3cccs3)n2CCCS(C)(=O)=O)c1C ZINC001360865878 1065986349 /nfs/dbraw/zinc/98/63/49/1065986349.db2.gz JUVLEKRTWPDETA-RTBURBONSA-N 0 0 476.668 4.729 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC001440869536 1065986377 /nfs/dbraw/zinc/98/63/77/1065986377.db2.gz CRPKNKQWODROPU-UHFFFAOYSA-N 0 0 456.030 4.806 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCSC2)c1C ZINC001360865975 1065986637 /nfs/dbraw/zinc/98/66/37/1065986637.db2.gz KTAXAPCVDMRFNL-TXTKFYIRSA-N 0 0 485.698 4.642 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCSC3)n2CCCOC(F)(F)F)c1C ZINC001360866064 1065987105 /nfs/dbraw/zinc/98/71/05/1065987105.db2.gz MJAMCANRYCDADV-SJORKVTESA-N 0 0 458.550 4.903 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 ZINC001360866123 1065987468 /nfs/dbraw/zinc/98/74/68/1065987468.db2.gz NDQVXQGLKWMGLA-IRLDBZIGSA-N 0 0 468.671 4.962 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)Cc1cccc(OCc2ccccc2C)c1)c1nccn1C ZINC001440873912 1065987713 /nfs/dbraw/zinc/98/77/13/1065987713.db2.gz ODYWVDQZRBVRHG-HHHXNRCGSA-N 0 0 455.558 4.764 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360866252 1065988060 /nfs/dbraw/zinc/98/80/60/1065988060.db2.gz PQASBUWDMYTRKH-SIKLNZKXSA-N 0 0 495.590 4.677 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2(C)CCCC2)c1C ZINC001360866298 1065988136 /nfs/dbraw/zinc/98/81/36/1065988136.db2.gz QLPFOZNTOAOAOW-HBMCJLEFSA-N 0 0 476.687 4.873 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@H](SC)C(C)(C)C ZINC001545936255 1065988172 /nfs/dbraw/zinc/98/81/72/1065988172.db2.gz GDUWPCDOFTVSSR-IBGZPJMESA-N 0 0 465.708 4.514 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CCOC2CCCCCC2)c1C ZINC001360866317 1065988592 /nfs/dbraw/zinc/98/85/92/1065988592.db2.gz QTLJSMFHMCYXBG-VXKWHMMOSA-N 0 0 456.631 4.999 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2CCOC2CCCCCC2)c1C ZINC001360866315 1065988608 /nfs/dbraw/zinc/98/86/08/1065988608.db2.gz QTLJSMFHMCYXBG-FCHUYYIVSA-N 0 0 456.631 4.999 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360868321 1065991121 /nfs/dbraw/zinc/99/11/21/1065991121.db2.gz BBTPTQZGWDNZFV-DFBJGRDBSA-N 0 0 481.622 4.671 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@](C)(O)c2ccco2)c1C ZINC001360868320 1065991162 /nfs/dbraw/zinc/99/11/62/1065991162.db2.gz BBTPTQZGWDNZFV-CLOONOSVSA-N 0 0 481.622 4.671 20 0 JJADRN Cc1nc(CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)oc1-c1ccccc1 ZINC001360868155 1065991183 /nfs/dbraw/zinc/99/11/83/1065991183.db2.gz WDVNGBFHIIOGQC-UHFFFAOYSA-N 0 0 455.580 4.607 20 0 JJADRN Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360868197 1065991269 /nfs/dbraw/zinc/99/12/69/1065991269.db2.gz XIIUAFJCXDVWDU-UHFFFAOYSA-N 0 0 450.651 4.803 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC2=CCCOC2)c1C ZINC001360868332 1065991685 /nfs/dbraw/zinc/99/16/85/1065991685.db2.gz BGHHOXIYVPOZSF-NRFANRHFSA-N 0 0 454.615 4.635 20 0 JJADRN Nc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1OC(F)(F)F ZINC001440895355 1065991557 /nfs/dbraw/zinc/99/15/57/1065991557.db2.gz HKFUYHUGMVAIRF-UHFFFAOYSA-N 0 0 454.040 4.945 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)c1n[nH]c(C(C)C)c1Br ZINC001440895088 1065991600 /nfs/dbraw/zinc/99/16/00/1065991600.db2.gz GIJPHXLZWDOFFU-UHFFFAOYSA-N 0 0 451.546 4.972 20 0 JJADRN CCCc1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)cc(=O)[nH]1 ZINC001440899321 1065992067 /nfs/dbraw/zinc/99/20/67/1065992067.db2.gz YNNJTPUDMQCSOR-JOCHJYFZSA-N 0 0 459.546 4.800 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001440900261 1065992847 /nfs/dbraw/zinc/99/28/47/1065992847.db2.gz QAOGHJSTXJDPLS-CQSZACIVSA-N 0 0 458.312 4.770 20 0 JJADRN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)cc1 ZINC001440900238 1065992890 /nfs/dbraw/zinc/99/28/90/1065992890.db2.gz TWDDZVOGRPUFSH-OAHLLOKOSA-N 0 0 458.490 4.641 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC(C)C)C3CCCC3)n2C[C@@]2(O)CCOC2)c1C ZINC001360868679 1065993219 /nfs/dbraw/zinc/99/32/19/1065993219.db2.gz ACYQIBSJYOYHHE-RLWLMLJZSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1ccc(Sc2ccc(NC(=O)[C@@H](CO)NC(=O)OCc3ccccc3)cc2)cc1C ZINC001440911719 1065993301 /nfs/dbraw/zinc/99/33/01/1065993301.db2.gz DILDTMPZIGIFRH-HSZRJFAPSA-N 0 0 450.560 4.680 20 0 JJADRN CC(C)c1ccccc1OCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440920329 1065993891 /nfs/dbraw/zinc/99/38/91/1065993891.db2.gz KHFVTNZJKNKXBM-DEDYPNTBSA-N 0 0 458.967 4.695 20 0 JJADRN COc1ccccc1/C(C)=C\C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440922416 1065994425 /nfs/dbraw/zinc/99/44/25/1065994425.db2.gz OVTADFMVNHOTIF-WAVHTBQISA-N 0 0 456.951 4.605 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440922195 1065994501 /nfs/dbraw/zinc/99/45/01/1065994501.db2.gz NQLNBKNBSNMOOU-OFBHVFLISA-N 0 0 458.967 4.659 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC001440932160 1065995250 /nfs/dbraw/zinc/99/52/50/1065995250.db2.gz ISAVFGFFYWYYOA-MUUNZHRXSA-N 0 0 456.590 4.942 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@H]2CCO[C@@H](C)C2)c1C ZINC001360868981 1065995350 /nfs/dbraw/zinc/99/53/50/1065995350.db2.gz LNFYUJHXXNTXKZ-TYPHKJRUSA-N 0 0 469.655 4.985 20 0 JJADRN O=C(NCCCCOc1ccc(F)cc1)c1ccc2[nH]cc(I)c2c1 ZINC001440927758 1065995492 /nfs/dbraw/zinc/99/54/92/1065995492.db2.gz HBSCFZDXWZNNOE-UHFFFAOYSA-N 0 0 452.267 4.501 20 0 JJADRN COc1ccccc1NC(=O)C1CCN(C(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001440941549 1065995715 /nfs/dbraw/zinc/99/57/15/1065995715.db2.gz RUAJNAYQNPXLLW-QHCPKHFHSA-N 0 0 452.595 4.684 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)C(C)(C)C ZINC001440937257 1065995822 /nfs/dbraw/zinc/99/58/22/1065995822.db2.gz JHPCAAFQKYEAME-LJQANCHMSA-N 0 0 459.566 4.689 20 0 JJADRN COC(=O)C1(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)CCCCCC1 ZINC001440941494 1065995991 /nfs/dbraw/zinc/99/59/91/1065995991.db2.gz RBCFFPHQRIALCI-UHFFFAOYSA-N 0 0 455.605 4.833 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360869085 1065995952 /nfs/dbraw/zinc/99/59/52/1065995952.db2.gz DZSACIUQQYFCDN-ICSRJNTNSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cscn3)n2CCc2nccs2)c1C ZINC001360869109 1065996014 /nfs/dbraw/zinc/99/60/14/1065996014.db2.gz MEQFDOQAGVYETB-KRWDZBQOSA-N 0 0 454.625 4.827 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360869087 1065996083 /nfs/dbraw/zinc/99/60/83/1065996083.db2.gz FAAUAQOWNGQTPQ-IFMALSPDSA-N 0 0 497.684 4.830 20 0 JJADRN Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360869134 1065996456 /nfs/dbraw/zinc/99/64/56/1065996456.db2.gz FDRMNLCEODHGHH-IQVOZAENSA-N 0 0 493.530 4.844 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2ccco2)c1C ZINC001360869291 1065996996 /nfs/dbraw/zinc/99/69/96/1065996996.db2.gz GHLQMOPYKKONHJ-NHCUHLMSSA-N 0 0 479.625 4.930 20 0 JJADRN O=C(CN(Cc1ccco1)C(=O)c1cc2c(o1)CCCC2)Nc1ccccc1Br ZINC001440958799 1065997286 /nfs/dbraw/zinc/99/72/86/1065997286.db2.gz DAEYLONYTNAYGO-UHFFFAOYSA-N 0 0 457.324 4.795 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccsc3)n2CCCN2CCOC2=O)c1C ZINC001360869379 1065997533 /nfs/dbraw/zinc/99/75/33/1065997533.db2.gz OMHOHFQJIJLLJC-LJQANCHMSA-N 0 0 469.611 4.575 20 0 JJADRN COc1ccsc1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001440969738 1065997650 /nfs/dbraw/zinc/99/76/50/1065997650.db2.gz QCNWEVHYZJIVGD-LCYFTJDESA-N 0 0 457.360 4.530 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(F)cc(Br)c1N ZINC001440973649 1065998407 /nfs/dbraw/zinc/99/84/07/1065998407.db2.gz XICZKUZWURCQCH-UHFFFAOYSA-N 0 0 458.335 4.716 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cc1Br ZINC001440989195 1065998700 /nfs/dbraw/zinc/99/87/00/1065998700.db2.gz MNPLGEVSVQHMBS-FZMZJTMJSA-N 0 0 451.283 4.884 20 0 JJADRN CCN(c1ccc(NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1)C(C)C ZINC001440984822 1065998760 /nfs/dbraw/zinc/99/87/60/1065998760.db2.gz NREHWVJUJAJRQA-AREMUKBSSA-N 0 0 459.631 4.792 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(Cc3ccccc3)C(C)C)c2)cc1 ZINC001440980537 1065998881 /nfs/dbraw/zinc/99/88/81/1065998881.db2.gz MKNAMZSMSKTWRZ-UHFFFAOYSA-N 0 0 452.576 4.937 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[C@@H]43)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360869804 1065999782 /nfs/dbraw/zinc/99/97/82/1065999782.db2.gz KGJZKUVZKUOGSW-NJYVYQBISA-N 0 0 469.630 4.938 20 0 JJADRN C[C@@H]1c2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)n2CCN1C(=O)OC(C)(C)C ZINC001441008525 1065999994 /nfs/dbraw/zinc/99/99/94/1065999994.db2.gz SSVDGFUPKIJFIF-GOSISDBHSA-N 0 0 451.567 4.535 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2c1 ZINC001441018150 1066001289 /nfs/dbraw/zinc/00/12/89/1066001289.db2.gz YEGFPOVZVYGLCW-GBXCKJPGSA-N 0 0 454.929 4.819 20 0 JJADRN Cc1ccc([C@@H]2CCCN2C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC001441017989 1066001306 /nfs/dbraw/zinc/00/13/06/1066001306.db2.gz WMYJVWJRPMKDOG-IRLDBZIGSA-N 0 0 453.587 4.526 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCC(=O)NC2CC2)c1C ZINC001360870203 1066001591 /nfs/dbraw/zinc/00/15/91/1066001591.db2.gz NLJBUKGUPZRRDP-YFVAEKQCSA-N 0 0 453.631 4.719 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC001441026522 1066001749 /nfs/dbraw/zinc/00/17/49/1066001749.db2.gz IWNVEVMCUHQMCP-UHFFFAOYSA-N 0 0 451.573 4.904 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360870492 1066002405 /nfs/dbraw/zinc/00/24/05/1066002405.db2.gz XLGLMLVPWUKZFW-PZJWPPBQSA-N 0 0 478.584 4.712 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H]2CC2(C)C)c1C ZINC001360870459 1066002448 /nfs/dbraw/zinc/00/24/48/1066002448.db2.gz PPDWFRAWTFOCSB-GUDVDZBRSA-N 0 0 493.574 4.586 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001441044785 1066002995 /nfs/dbraw/zinc/00/29/95/1066002995.db2.gz QIJKXOCQPKRXRT-GOSISDBHSA-N 0 0 454.445 4.671 20 0 JJADRN CC(C)(C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1csc(-c2cccs2)n1 ZINC001441044164 1066003049 /nfs/dbraw/zinc/00/30/49/1066003049.db2.gz FXZYIJSKJQYLPW-UHFFFAOYSA-N 0 0 457.596 4.663 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)c1 ZINC001441043190 1066003170 /nfs/dbraw/zinc/00/31/70/1066003170.db2.gz OUHPRYKIILPABE-UHFFFAOYSA-N 0 0 451.364 4.899 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CC=CCC3)n2CCNC(=O)c2ccco2)c1C ZINC001360870808 1066003784 /nfs/dbraw/zinc/00/37/84/1066003784.db2.gz ZTTJIBYPTMGESJ-VXKWHMMOSA-N 0 0 477.609 4.850 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360870942 1066004323 /nfs/dbraw/zinc/00/43/23/1066004323.db2.gz RCKPTOVYSAFKIZ-JDBUVZGPSA-N 0 0 470.658 4.960 20 0 JJADRN C[C@H](SCC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC001441051249 1066004286 /nfs/dbraw/zinc/00/42/86/1066004286.db2.gz PGUGXNFXBUXYIJ-PKOBYXMFSA-N 0 0 451.596 4.560 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCNC(=O)c2cccs2)c1C ZINC001360871608 1066005571 /nfs/dbraw/zinc/00/55/71/1066005571.db2.gz YCUULVOEPIIBGX-WSTZPKSXSA-N 0 0 467.639 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)Nc3ccc(OC4CCCC4)cc3)CCC2)C1 ZINC001441073175 1066005688 /nfs/dbraw/zinc/00/56/88/1066005688.db2.gz JVEXWMIRWACZMX-SANMLTNESA-N 0 0 458.599 4.879 20 0 JJADRN CCCC[C@@H](CC)CNC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC001441073554 1066005778 /nfs/dbraw/zinc/00/57/78/1066005778.db2.gz YULMDMJPTXKKJM-QGZVFWFLSA-N 0 0 452.437 4.894 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1ccc(O[C@H]3CCOC3)cc1)N2C(=O)OC(C)(C)C ZINC001360871936 1066005933 /nfs/dbraw/zinc/00/59/33/1066005933.db2.gz AQJMZKCJCBAENX-AVRDEDQJSA-N 0 0 456.514 4.607 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1Br ZINC001441081413 1066006101 /nfs/dbraw/zinc/00/61/01/1066006101.db2.gz ROULNCSRUBMVAY-KRWDZBQOSA-N 0 0 457.137 4.873 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)cs1 ZINC001360872708 1066006300 /nfs/dbraw/zinc/00/63/00/1066006300.db2.gz YCJWJKDJTJZJGV-NRFANRHFSA-N 0 0 450.560 4.887 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001360872118 1066006386 /nfs/dbraw/zinc/00/63/86/1066006386.db2.gz HPHNURBYLUEEHB-SFHVURJKSA-N 0 0 457.502 4.649 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC001441083228 1066006512 /nfs/dbraw/zinc/00/65/12/1066006512.db2.gz UUAAYEOSEKWMPK-ZPFAWDKYSA-N 0 0 474.388 4.585 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001441090498 1066006585 /nfs/dbraw/zinc/00/65/85/1066006585.db2.gz SWPWCIHUXRCPAB-JOCHJYFZSA-N 0 0 451.567 4.616 20 0 JJADRN CCN(C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1cccc(Br)c1 ZINC001441089720 1066006605 /nfs/dbraw/zinc/00/66/05/1066006605.db2.gz ZDDIWXIZYNZZMK-UHFFFAOYSA-N 0 0 454.390 4.640 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360872925 1066007455 /nfs/dbraw/zinc/00/74/55/1066007455.db2.gz CGJPXZAAPUUQCR-PKTZIBPZSA-N 0 0 470.658 4.839 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)C1(c3ccc(Cl)cc3Cl)CCCC1)C[C@H]2O ZINC001441097248 1066007540 /nfs/dbraw/zinc/00/75/40/1066007540.db2.gz HJFTUDVSSHBLJY-GOSISDBHSA-N 0 0 450.362 4.898 20 0 JJADRN C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001441099826 1066007586 /nfs/dbraw/zinc/00/75/86/1066007586.db2.gz GUVFJULGTZLVRO-JQIJEIRASA-N 0 0 457.361 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCc1cc(C)cc(C)c1 ZINC001545938555 1066008324 /nfs/dbraw/zinc/00/83/24/1066008324.db2.gz XXMXUVVKVXNSPJ-QFIPXVFZSA-N 0 0 457.688 4.634 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCCOC(F)F)c1C ZINC001360873525 1066009269 /nfs/dbraw/zinc/00/92/69/1066009269.db2.gz IIGIQDMSAQMLQS-TZIWHRDSSA-N 0 0 478.584 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)on2)CC1 ZINC001441125056 1066009746 /nfs/dbraw/zinc/00/97/46/1066009746.db2.gz XDYOKQGPWGDZRX-UHFFFAOYSA-N 0 0 455.511 4.818 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360873603 1066009944 /nfs/dbraw/zinc/00/99/44/1066009944.db2.gz GTYMARSBVWWEAN-ZPMCFJSWSA-N 0 0 494.640 4.535 20 0 JJADRN Nc1nccnc1C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC001441138224 1066010225 /nfs/dbraw/zinc/01/02/25/1066010225.db2.gz LVMSMLSXTQACSQ-UHFFFAOYSA-N 0 0 454.374 4.939 20 0 JJADRN CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001441151227 1066010577 /nfs/dbraw/zinc/01/05/77/1066010577.db2.gz LSYWTUIQCYJDOV-UHFFFAOYSA-N 0 0 458.967 4.812 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CCSC2)c1C ZINC001360873884 1066010917 /nfs/dbraw/zinc/01/09/17/1066010917.db2.gz KXUFJJRODJTIPQ-OPAMFIHVSA-N 0 0 483.465 4.802 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCOC(C)C)c1C ZINC001360873978 1066011212 /nfs/dbraw/zinc/01/12/12/1066011212.db2.gz JAOBZZOQSMDXRJ-NRFANRHFSA-N 0 0 497.606 4.924 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H]4CCCC[C@@H]4C3)n2CC(=O)NC(C)C)c1C ZINC001360874033 1066011950 /nfs/dbraw/zinc/01/19/50/1066011950.db2.gz JVQNOYJAIKBBEY-YPAWHYETSA-N 0 0 453.631 4.576 20 0 JJADRN C[C@H](Cn1cccn1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441177590 1066012020 /nfs/dbraw/zinc/01/20/20/1066012020.db2.gz PKBJFVCDECAVGP-MRXNPFEDSA-N 0 0 451.368 4.931 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCOC2)c1C ZINC001360874216 1066012295 /nfs/dbraw/zinc/01/22/95/1066012295.db2.gz KWRLBSYRELZESA-RTWAWAEBSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCO[C@H]2CCOC2)c1C ZINC001360874209 1066012375 /nfs/dbraw/zinc/01/23/75/1066012375.db2.gz KVICNIJUVKFQIB-PTUXOGIPSA-N 0 0 456.631 4.857 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)Nc1ccc(-c3ccccc3)cc1C)CC2 ZINC001441185014 1066012546 /nfs/dbraw/zinc/01/25/46/1066012546.db2.gz DRKYROPVOZELIG-UHFFFAOYSA-N 0 0 458.558 4.983 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)c1C ZINC001360874254 1066012635 /nfs/dbraw/zinc/01/26/35/1066012635.db2.gz LLHVAZMNBJQUEH-FQEVSTJZSA-N 0 0 499.656 4.707 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001441186373 1066013050 /nfs/dbraw/zinc/01/30/50/1066013050.db2.gz HMIXMGZHHMHDQE-JGCGQSQUSA-N 0 0 456.608 4.749 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874363 1066013191 /nfs/dbraw/zinc/01/31/91/1066013191.db2.gz LUBVZIJJLLDUJH-FGZHOGPDSA-N 0 0 465.646 4.669 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CC2(C)C)c1C ZINC001360874586 1066014329 /nfs/dbraw/zinc/01/43/29/1066014329.db2.gz RRMZLBZWLYQWFX-IFMALSPDSA-N 0 0 467.658 4.776 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCOC(C)C)c1C ZINC001360874880 1066015411 /nfs/dbraw/zinc/01/54/11/1066015411.db2.gz OVTQWIYHQGXFKL-UNMCSNQZSA-N 0 0 452.603 4.535 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCOC(C)C)c1C ZINC001360874875 1066015511 /nfs/dbraw/zinc/01/55/11/1066015511.db2.gz OVTQWIYHQGXFKL-IFMALSPDSA-N 0 0 452.603 4.535 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCOC[C@@H]2CCOC2)c1C ZINC001360874814 1066015525 /nfs/dbraw/zinc/01/55/25/1066015525.db2.gz URNPMMCXZAQTAL-RTWAWAEBSA-N 0 0 478.584 4.714 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1C ZINC001360874923 1066016064 /nfs/dbraw/zinc/01/60/64/1066016064.db2.gz PIIBUKXWUCVXSM-WIYYLYMNSA-N 0 0 476.687 4.875 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN2CCOCC2)c1C ZINC001360875027 1066016089 /nfs/dbraw/zinc/01/60/89/1066016089.db2.gz WPJVCJAEEJWOCF-GGAORHGYSA-N 0 0 469.674 4.630 20 0 JJADRN COc1cc(/C=C(/C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c2ccccc2)ccc1O ZINC001441224207 1066016092 /nfs/dbraw/zinc/01/60/92/1066016092.db2.gz ZKYJCKBAHTULRC-CXUHLZMHSA-N 0 0 450.878 4.564 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2CCn2cc(Cl)cn2)c1C ZINC001360875039 1066016323 /nfs/dbraw/zinc/01/63/23/1066016323.db2.gz XAYXKLCKFPVDEU-HXUWFJFHSA-N 0 0 487.048 4.979 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001545939476 1066016753 /nfs/dbraw/zinc/01/67/53/1066016753.db2.gz CETPCFYXOJPJFF-GVDBMIGSSA-N 0 0 457.635 4.742 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC001441229785 1066016804 /nfs/dbraw/zinc/01/68/04/1066016804.db2.gz QVRYCZNLEGUPOZ-YADARESESA-N 0 0 457.014 4.701 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCCCO2)c1C ZINC001360875189 1066016947 /nfs/dbraw/zinc/01/69/47/1066016947.db2.gz XOLWNBWUEZXIDG-GGAORHGYSA-N 0 0 456.631 4.998 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 ZINC001441227267 1066016839 /nfs/dbraw/zinc/01/68/39/1066016839.db2.gz MUTFEZDYHCNITL-MGPWBUOISA-N 0 0 454.998 4.925 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001545939475 1066016907 /nfs/dbraw/zinc/01/69/07/1066016907.db2.gz CETPCFYXOJPJFF-BRWVUGGUSA-N 0 0 457.635 4.742 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360875241 1066017355 /nfs/dbraw/zinc/01/73/55/1066017355.db2.gz XXXVZQZERQADAO-GOSISDBHSA-N 0 0 475.584 4.562 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360875305 1066017427 /nfs/dbraw/zinc/01/74/27/1066017427.db2.gz SGIKJPZZXVFNLK-LVXARBLLSA-N 0 0 498.697 4.615 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCC(=O)N(C)C)c1C ZINC001360875691 1066019027 /nfs/dbraw/zinc/01/90/27/1066019027.db2.gz XIROQNTXXROVTK-AMGIVPHBSA-N 0 0 465.642 4.840 20 0 JJADRN CN(C)C(=O)c1cccc(CNC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1 ZINC001441252962 1066021256 /nfs/dbraw/zinc/02/12/56/1066021256.db2.gz HZZKWOCMFBBCPF-JOCHJYFZSA-N 0 0 459.631 4.649 20 0 JJADRN COc1cc(NC(=O)Cc2nc(C3CC3)cs2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441281975 1066022399 /nfs/dbraw/zinc/02/23/99/1066022399.db2.gz DSNWQGLJNCJPDL-HUUCEWRRSA-N 0 0 457.596 4.622 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4cccs4)CC3)n2CC(F)(F)F)c1C ZINC001360877346 1066022485 /nfs/dbraw/zinc/02/24/85/1066022485.db2.gz KJEBSVICMMGRAC-KRWDZBQOSA-N 0 0 465.545 4.985 20 0 JJADRN COc1cc(NC(=O)c2coc3cc(O)ccc23)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441291654 1066022647 /nfs/dbraw/zinc/02/26/47/1066022647.db2.gz SGXWGIVTCGIPNE-HUUCEWRRSA-N 0 0 452.507 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCNC(=O)C(C)(C)C)c1C ZINC001360877170 1066022641 /nfs/dbraw/zinc/02/26/41/1066022641.db2.gz JFMVUVNRTGRDRL-NJYVYQBISA-N 0 0 453.631 4.576 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCCC(C)C)c1C ZINC001360877371 1066022980 /nfs/dbraw/zinc/02/29/80/1066022980.db2.gz KNMVTYSMLXXCGP-HSZRJFAPSA-N 0 0 482.673 4.809 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC2(C)CC2)c1C ZINC001360877386 1066022989 /nfs/dbraw/zinc/02/29/89/1066022989.db2.gz KRNVWPQUQPZKDC-VXKWHMMOSA-N 0 0 467.658 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCSCC(C)C ZINC001545939918 1066023285 /nfs/dbraw/zinc/02/32/85/1066023285.db2.gz NSVYGLROKWYSFU-UHFFFAOYSA-N 0 0 467.749 4.842 20 0 JJADRN CSc1nnc(CCCNC(=O)c2cc(Cl)ccc2OC2CCCC2)n1CC(C)C ZINC001441294881 1066023313 /nfs/dbraw/zinc/02/33/13/1066023313.db2.gz WRANJQWYRGVQBZ-UHFFFAOYSA-N 0 0 451.036 4.993 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)c2nccs2)c1C ZINC001360877443 1066023424 /nfs/dbraw/zinc/02/34/24/1066023424.db2.gz LMJQZXZJCOPEAA-PZJWPPBQSA-N 0 0 496.681 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360877499 1066023475 /nfs/dbraw/zinc/02/34/75/1066023475.db2.gz MCEQKQSQOBEDII-KSEOMHKRSA-N 0 0 491.627 4.627 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@H]1CCSC1(C)C ZINC001545940031 1066024452 /nfs/dbraw/zinc/02/44/52/1066024452.db2.gz QFLLDQARCMADKF-QGZVFWFLSA-N 0 0 467.749 4.840 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](c3c(F)cccc3Cl)N3CCCC3)c2N1 ZINC001441313196 1066025404 /nfs/dbraw/zinc/02/54/04/1066025404.db2.gz CTAHLTDQHUBFMX-CSMYWGQOSA-N 0 0 473.902 4.550 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878489 1066025855 /nfs/dbraw/zinc/02/58/55/1066025855.db2.gz VSXXTVOKBLARQP-LEWJYISDSA-N 0 0 483.682 4.751 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@H](CC)Cc3cccc(C)c3)cc2)CC1 ZINC001360878444 1066025918 /nfs/dbraw/zinc/02/59/18/1066025918.db2.gz XTVUHCFHSQTSNE-OAQYLSRUSA-N 0 0 450.579 4.618 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CC[C@H](C)C2)c1C ZINC001360878457 1066026008 /nfs/dbraw/zinc/02/60/08/1066026008.db2.gz VKPLQMDHAPCJIB-WMQCIHAUSA-N 0 0 461.601 4.858 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001441315768 1066026214 /nfs/dbraw/zinc/02/62/14/1066026214.db2.gz FESSXJZKMJNGRF-OAHLLOKOSA-N 0 0 458.887 4.598 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4nccnc4C)CC3)n2CCC(C)(F)F)c1C ZINC001360878595 1066026298 /nfs/dbraw/zinc/02/62/98/1066026298.db2.gz WOQPOXNERLHSBQ-FQEVSTJZSA-N 0 0 485.583 4.505 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360878623 1066026325 /nfs/dbraw/zinc/02/63/25/1066026325.db2.gz WWDRRFBABRHCQQ-NJYVYQBISA-N 0 0 489.611 4.917 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1C ZINC001360878782 1066026833 /nfs/dbraw/zinc/02/68/33/1066026833.db2.gz ACTQOBDVKMJMDV-UTAZYMRLSA-N 0 0 456.631 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC001441320074 1066027226 /nfs/dbraw/zinc/02/72/26/1066027226.db2.gz ZURKNXITDYXESG-PKTZIBPZSA-N 0 0 454.567 4.791 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CCCOCC(F)F)c1C ZINC001360878848 1066027327 /nfs/dbraw/zinc/02/73/27/1066027327.db2.gz BJJLJRUFMGXIDP-FUHWJXTLSA-N 0 0 454.587 4.648 20 0 JJADRN COc1cc(NC(=O)c2cccc3[nH]c(C)nc32)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441321967 1066027963 /nfs/dbraw/zinc/02/79/63/1066027963.db2.gz MKEWQPNSVOKMIR-GASCZTMLSA-N 0 0 450.539 4.544 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOCC4(CCC4)C3)n2CCCOC(F)(F)F)c1C ZINC001360878946 1066028099 /nfs/dbraw/zinc/02/80/99/1066028099.db2.gz CRFKAAGZWYQWLA-LJQANCHMSA-N 0 0 482.547 4.968 20 0 JJADRN CCCCn1ncc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)c1C ZINC001441323450 1066028246 /nfs/dbraw/zinc/02/82/46/1066028246.db2.gz NMWFNFHDLRVIBX-IRXDYDNUSA-N 0 0 456.587 4.664 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 ZINC001360879061 1066028741 /nfs/dbraw/zinc/02/87/41/1066028741.db2.gz FMKGJMQGXVWKCT-JXFKEZNVSA-N 0 0 455.628 4.997 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNc2ccccn2)c1C ZINC001360879171 1066029369 /nfs/dbraw/zinc/02/93/69/1066029369.db2.gz HNARWKAEFAVOIP-VXKWHMMOSA-N 0 0 478.641 4.936 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNc2ccccn2)c1C ZINC001360879169 1066029555 /nfs/dbraw/zinc/02/95/55/1066029555.db2.gz HNARWKAEFAVOIP-FCHUYYIVSA-N 0 0 478.641 4.936 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441336199 1066029829 /nfs/dbraw/zinc/02/98/29/1066029829.db2.gz AQDQMTDHVPSDNH-HNAYVOBHSA-N 0 0 455.908 4.940 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441336200 1066029854 /nfs/dbraw/zinc/02/98/54/1066029854.db2.gz AQDQMTDHVPSDNH-KXBFYZLASA-N 0 0 455.908 4.940 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCOC[C@@H]2C)c1C ZINC001360879465 1066030197 /nfs/dbraw/zinc/03/01/97/1066030197.db2.gz LKVJSSRJQFOFES-WSWWRLHASA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2C[C@H](C)c2nccs2)c1C ZINC001360879405 1066030222 /nfs/dbraw/zinc/03/02/22/1066030222.db2.gz KRROWGFIROWIMP-HKUYNNGSSA-N 0 0 455.628 4.910 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(I)ccc1O ZINC001441342914 1066030781 /nfs/dbraw/zinc/03/07/81/1066030781.db2.gz LONCECOEXIGYQD-UHFFFAOYSA-N 0 0 450.207 4.576 20 0 JJADRN Cc1ccc(NC(=O)Cc2c[nH]c3cnc(Cl)cc23)cc1NS(=O)(=O)c1ccccc1 ZINC001441348220 1066031535 /nfs/dbraw/zinc/03/15/35/1066031535.db2.gz AOVJNADRIJWNLS-UHFFFAOYSA-N 0 0 454.939 4.507 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4ccco4)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360879952 1066032036 /nfs/dbraw/zinc/03/20/36/1066032036.db2.gz SHQSQHWRKQNUKS-WIOYSNFSSA-N 0 0 468.598 4.613 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2CCOC2)c1C ZINC001360880162 1066032307 /nfs/dbraw/zinc/03/23/07/1066032307.db2.gz XCWVIPYCUOCIGM-FKBYEOEOSA-N 0 0 499.656 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1C ZINC001360880145 1066032351 /nfs/dbraw/zinc/03/23/51/1066032351.db2.gz WZCQLRIZUKGSQZ-BDTNDASRSA-N 0 0 497.640 4.831 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCSC(C)C)c1C ZINC001360880053 1066032512 /nfs/dbraw/zinc/03/25/12/1066032512.db2.gz VHVZCCDNDKUCCV-CZSZKKDXSA-N 0 0 474.671 4.561 20 0 JJADRN CO[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC001360880469 1066033099 /nfs/dbraw/zinc/03/30/99/1066033099.db2.gz CMFYUPUZDNCCTG-SFHVURJKSA-N 0 0 456.930 4.906 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cnn4cccc(Br)c34)cn2)c1 ZINC001441358549 1066034240 /nfs/dbraw/zinc/03/42/40/1066034240.db2.gz OQWHGQQRFMRODG-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)cc1 ZINC001360881674 1066034428 /nfs/dbraw/zinc/03/44/28/1066034428.db2.gz UTQJATCKHSAIKF-YNJKOYDBSA-N 0 0 454.636 4.966 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360881419 1066034648 /nfs/dbraw/zinc/03/46/48/1066034648.db2.gz LTLSFWKBYWIURJ-SVFBPWRDSA-N 0 0 492.611 4.694 20 0 JJADRN C[C@@H](NC(=O)Cc1cccnc1Br)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441362695 1066034748 /nfs/dbraw/zinc/03/47/48/1066034748.db2.gz CIFMXFUTLUPFSN-OAHLLOKOSA-N 0 0 453.340 4.908 20 0 JJADRN CCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)no2)cc1 ZINC001441363421 1066035085 /nfs/dbraw/zinc/03/50/85/1066035085.db2.gz SIUCLAGHBULMAC-UHFFFAOYSA-N 0 0 458.345 4.809 20 0 JJADRN COc1cc(CN(C(=O)c2cc(F)cc(Br)c2N)C2CC2)ccc1OC(F)F ZINC001441367956 1066035452 /nfs/dbraw/zinc/03/54/52/1066035452.db2.gz XRPSPCNFKCNBBQ-UHFFFAOYSA-N 0 0 459.262 4.585 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001360882277 1066035670 /nfs/dbraw/zinc/03/56/70/1066035670.db2.gz DKCVAWQEMMXKSP-QGZVFWFLSA-N 0 0 457.621 4.510 20 0 JJADRN C[C@H](NC(=O)CCN1c2ccccc2CCC1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441369345 1066035937 /nfs/dbraw/zinc/03/59/37/1066035937.db2.gz VTTDUKCQZOCGLU-IBGZPJMESA-N 0 0 456.546 4.877 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441369341 1066035976 /nfs/dbraw/zinc/03/59/76/1066035976.db2.gz VTBOWXTYNJKKIB-KRWDZBQOSA-N 0 0 457.534 4.600 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCN2CCOCC2(C)C)c1C ZINC001360882950 1066036522 /nfs/dbraw/zinc/03/65/22/1066036522.db2.gz FJXXUYHXSJFGNK-QHCPKHFHSA-N 0 0 467.658 4.692 20 0 JJADRN CSc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1F ZINC001441388090 1066036811 /nfs/dbraw/zinc/03/68/11/1066036811.db2.gz CODRTUCAVIZXCF-UHFFFAOYSA-N 0 0 452.479 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001441397019 1066037433 /nfs/dbraw/zinc/03/74/33/1066037433.db2.gz JVFXJWKWRRZGBP-YADHBBJMSA-N 0 0 452.599 4.621 20 0 JJADRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[nH]c(=NC(=O)OC(C)(C)C)s4)CC3)c2c1 ZINC001441392689 1066037476 /nfs/dbraw/zinc/03/74/76/1066037476.db2.gz CTCBWALGRAJLQK-UHFFFAOYSA-N 0 0 454.552 4.910 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CCN1CCOC[C@@H]1C ZINC001360883478 1066037583 /nfs/dbraw/zinc/03/75/83/1066037583.db2.gz SZCKSWKCVQDORO-FCHUYYIVSA-N 0 0 488.076 4.956 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)CCCCC1 ZINC001441398092 1066037514 /nfs/dbraw/zinc/03/75/14/1066037514.db2.gz MEIXCKSKUDEYSQ-UHFFFAOYSA-N 0 0 452.599 4.622 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc(Cl)ccc1OC(F)F ZINC001441400972 1066037840 /nfs/dbraw/zinc/03/78/40/1066037840.db2.gz DXIQPOXYEUBKTC-UHFFFAOYSA-N 0 0 452.866 4.995 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC001441403210 1066037957 /nfs/dbraw/zinc/03/79/57/1066037957.db2.gz WWDLMDDFTWWGQF-UHFFFAOYSA-N 0 0 450.686 4.677 20 0 JJADRN CCOc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1 ZINC001360884171 1066038353 /nfs/dbraw/zinc/03/83/53/1066038353.db2.gz NRMNBXNVFMPTOY-UHFFFAOYSA-N 0 0 455.532 4.689 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001360884641 1066038687 /nfs/dbraw/zinc/03/86/87/1066038687.db2.gz AJMNNNHYDFYOQW-SFHVURJKSA-N 0 0 493.421 4.836 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001360884718 1066038839 /nfs/dbraw/zinc/03/88/39/1066038839.db2.gz DNFSMNKVHQLIET-MHZLTWQESA-N 0 0 469.474 4.617 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(C)=C(C)C2)s1 ZINC001360884904 1066039224 /nfs/dbraw/zinc/03/92/24/1066039224.db2.gz LJGGLHZIRULZGI-UHFFFAOYSA-N 0 0 459.417 4.771 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC001441419908 1066039613 /nfs/dbraw/zinc/03/96/13/1066039613.db2.gz LOKCTNLQEQHQDH-FQEVSTJZSA-N 0 0 452.576 4.748 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCc2cnn(C)c2)CC1 ZINC001360885003 1066039673 /nfs/dbraw/zinc/03/96/73/1066039673.db2.gz OKRJORORDAZVQM-UHFFFAOYSA-N 0 0 455.404 4.620 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001360885173 1066039917 /nfs/dbraw/zinc/03/99/17/1066039917.db2.gz WAVMSFHTMYJLAX-UHFFFAOYSA-N 0 0 451.659 4.900 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)=C(C)C1 ZINC001360885054 1066039993 /nfs/dbraw/zinc/03/99/93/1066039993.db2.gz QUYMPWUHGIECTO-UHFFFAOYSA-N 0 0 456.637 4.508 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001441424948 1066039974 /nfs/dbraw/zinc/03/99/74/1066039974.db2.gz RADZJYLNTAJUCV-QGOAFFKASA-N 0 0 454.851 4.846 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C(C)C)cc2)cc1 ZINC001441424481 1066040057 /nfs/dbraw/zinc/04/00/57/1066040057.db2.gz DFFBOJUOMUHWLG-UHFFFAOYSA-N 0 0 452.576 4.728 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC001441426460 1066040440 /nfs/dbraw/zinc/04/04/40/1066040440.db2.gz UAEOJPSHWPVIPE-FQEVSTJZSA-N 0 0 453.970 4.894 20 0 JJADRN CC(C)c1noc2ncc(C(=O)Nc3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)cc21 ZINC001360885629 1066040441 /nfs/dbraw/zinc/04/04/41/1066040441.db2.gz PKBVRJBIWSCKLX-UHFFFAOYSA-N 0 0 456.568 4.552 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3C)CC2)cc1 ZINC001360886711 1066040819 /nfs/dbraw/zinc/04/08/19/1066040819.db2.gz DSQXRKMOOBOXRI-UHFFFAOYSA-N 0 0 454.368 4.972 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC001441427863 1066040936 /nfs/dbraw/zinc/04/09/36/1066040936.db2.gz ZFVXAIVSUHBBNA-QHAWAJNXSA-N 0 0 450.579 4.632 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001441434368 1066041313 /nfs/dbraw/zinc/04/13/13/1066041313.db2.gz OKQBZMQQGBHTSQ-UHFFFAOYSA-N 0 0 452.555 4.762 20 0 JJADRN C[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545942056 1066042262 /nfs/dbraw/zinc/04/22/62/1066042262.db2.gz ILULOVSHDFBTGC-AJSBUHFISA-N 0 0 454.611 4.807 20 0 JJADRN NC(=O)COc1ccc(OC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1 ZINC001360889185 1066042323 /nfs/dbraw/zinc/04/23/23/1066042323.db2.gz WLTYAIKCDMSCOS-UHFFFAOYSA-N 0 0 456.454 4.750 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001360889640 1066042592 /nfs/dbraw/zinc/04/25/92/1066042592.db2.gz NHSCTLYJYSNLRX-QFIPXVFZSA-N 0 0 493.656 4.612 20 0 JJADRN O=C(C/C=C\c1ccc(Br)cc1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001360890002 1066042618 /nfs/dbraw/zinc/04/26/18/1066042618.db2.gz AIVKJWGBFNQWJY-UPHRSURJSA-N 0 0 458.747 4.998 20 0 JJADRN C[C@H](C(=O)NC[C@H](c1ccccc1)C(C)(C)CO)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545942059 1066042728 /nfs/dbraw/zinc/04/27/28/1066042728.db2.gz ILULOVSHDFBTGC-WWPVKYPJSA-N 0 0 454.611 4.807 20 0 JJADRN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N(c1cccc(F)c1)C1CCOCC1 ZINC001360891505 1066042950 /nfs/dbraw/zinc/04/29/50/1066042950.db2.gz LRHIEUDTUJVMCW-UHFFFAOYSA-N 0 0 453.535 4.625 20 0 JJADRN CSc1ccc([C@H](CNC(=O)Cc2cc(F)ccc2O)N2CCc3sccc3C2)cc1 ZINC001441462686 1066042951 /nfs/dbraw/zinc/04/29/51/1066042951.db2.gz CXQZLCFPRCZLHJ-NRFANRHFSA-N 0 0 456.608 4.773 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(C)C3)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001360891719 1066042998 /nfs/dbraw/zinc/04/29/98/1066042998.db2.gz CZMWKAYGCFZWIP-HSZRJFAPSA-N 0 0 468.049 4.643 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001360890565 1066043061 /nfs/dbraw/zinc/04/30/61/1066043061.db2.gz MGJXVKGTTVMCBU-ROUUACIJSA-N 0 0 459.077 4.651 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 ZINC001360891872 1066043598 /nfs/dbraw/zinc/04/35/98/1066043598.db2.gz FJXOZWUUFWQIKG-JOCHJYFZSA-N 0 0 486.682 4.660 20 0 JJADRN CC(=O)Nc1cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C ZINC001441465572 1066043675 /nfs/dbraw/zinc/04/36/75/1066043675.db2.gz IPYRCAKDJOTVNM-QGZVFWFLSA-N 0 0 457.530 4.819 20 0 JJADRN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001441466027 1066043761 /nfs/dbraw/zinc/04/37/61/1066043761.db2.gz QZDRRBFJFPHWSW-QZTJIDSGSA-N 0 0 452.986 4.639 20 0 JJADRN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001360892183 1066044005 /nfs/dbraw/zinc/04/40/05/1066044005.db2.gz OIHZFUDHXUUOGX-UHFFFAOYSA-N 0 0 487.526 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001545942189 1066043945 /nfs/dbraw/zinc/04/39/45/1066043945.db2.gz MYODZWYCWVFJGJ-PKTZIBPZSA-N 0 0 452.595 4.787 20 0 JJADRN CC(C)Oc1ncccc1CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001441470847 1066043959 /nfs/dbraw/zinc/04/39/59/1066043959.db2.gz FOJFWRJKRQLWCM-FQEVSTJZSA-N 0 0 456.587 4.599 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCCNc1ncc(Cl)cc1Cl ZINC001441470024 1066044071 /nfs/dbraw/zinc/04/40/71/1066044071.db2.gz MCCFEJFINHTABD-UHFFFAOYSA-N 0 0 453.370 4.896 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC001441474955 1066044324 /nfs/dbraw/zinc/04/43/24/1066044324.db2.gz XOXMFERTCBHLIX-HBMCJLEFSA-N 0 0 461.027 4.597 20 0 JJADRN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(Sc2ccccc2Cl)nn1 ZINC001441473870 1066044522 /nfs/dbraw/zinc/04/45/22/1066044522.db2.gz PPVOIXPXTFQPOA-UHFFFAOYSA-N 0 0 454.770 4.825 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)C)CC1 ZINC001360892717 1066044779 /nfs/dbraw/zinc/04/47/79/1066044779.db2.gz JUVWHVNUQRCHKL-UHFFFAOYSA-N 0 0 453.631 4.616 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001360892724 1066044814 /nfs/dbraw/zinc/04/48/14/1066044814.db2.gz KEKFZPARUKCCKP-IFMALSPDSA-N 0 0 455.578 4.521 20 0 JJADRN CCn1cc(Br)cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001441476851 1066044870 /nfs/dbraw/zinc/04/48/70/1066044870.db2.gz VEWHQUAIWIEUNA-HXUWFJFHSA-N 0 0 458.425 4.861 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001360892908 1066045173 /nfs/dbraw/zinc/04/51/73/1066045173.db2.gz QSNPWVMZMIXIOK-UHFFFAOYSA-N 0 0 486.682 4.526 20 0 JJADRN Cc1nc(CN2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCC(C)C)CC2)oc1C ZINC001360892969 1066045202 /nfs/dbraw/zinc/04/52/02/1066045202.db2.gz SSLXUNLPXZEEIQ-FQEVSTJZSA-N 0 0 470.593 4.530 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3C[C@H]3CCCCC(F)(F)C3)CC2)oc1C ZINC001360892776 1066045308 /nfs/dbraw/zinc/04/53/08/1066045308.db2.gz LVRXTJNAGDBCFO-IBGZPJMESA-N 0 0 450.578 4.544 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC001360893313 1066045591 /nfs/dbraw/zinc/04/55/91/1066045591.db2.gz GSPFSCFYXQJEBF-UHFFFAOYSA-N 0 0 451.324 4.720 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC001360893450 1066046111 /nfs/dbraw/zinc/04/61/11/1066046111.db2.gz KVXZEUUOSZZTDY-UHFFFAOYSA-N 0 0 459.337 4.693 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(C)C)n3Cc3ccnc(OC(F)F)c3)C2)sc1C ZINC001360893914 1066046192 /nfs/dbraw/zinc/04/61/92/1066046192.db2.gz AJIKAGYVPMWRKS-KRWDZBQOSA-N 0 0 462.570 4.904 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cn1 ZINC001441485905 1066046106 /nfs/dbraw/zinc/04/61/06/1066046106.db2.gz UIZWIVZJXGTPTP-UHFFFAOYSA-N 0 0 452.580 4.598 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCCC3(F)F)C2)sc1C ZINC001360894258 1066046450 /nfs/dbraw/zinc/04/64/50/1066046450.db2.gz LSQJMXPOSBTSFB-MSOLQXFVSA-N 0 0 480.629 4.699 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)sc1C ZINC001360894181 1066046528 /nfs/dbraw/zinc/04/65/28/1066046528.db2.gz KFUPYVWIAVPVQX-LJQANCHMSA-N 0 0 498.672 4.991 20 0 JJADRN CSCC[C@@H](CC(=O)N[C@H](C)Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001441500857 1066046873 /nfs/dbraw/zinc/04/68/73/1066046873.db2.gz UHLYJUQMQXQFBK-PBHICJAKSA-N 0 0 459.450 4.533 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C4CC4)n3C[C@H](C)CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894542 1066046904 /nfs/dbraw/zinc/04/69/04/1066046904.db2.gz QBRQPRLVLNXBME-DNVCBOLYSA-N 0 0 474.675 4.774 20 0 JJADRN COc1nsc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1Br ZINC001441497938 1066047119 /nfs/dbraw/zinc/04/71/19/1066047119.db2.gz JSBVJWUAIMBJOG-UHFFFAOYSA-N 0 0 450.339 4.714 20 0 JJADRN Cn1cc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c(C(F)(F)F)c1 ZINC001441505886 1066047506 /nfs/dbraw/zinc/04/75/06/1066047506.db2.gz NCZUETOFAIIOTA-UHFFFAOYSA-N 0 0 459.468 4.772 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCOC(C)(C)C)C2)sc1C ZINC001360894910 1066047575 /nfs/dbraw/zinc/04/75/75/1066047575.db2.gz XQICYGFUNUQDLU-CJFMBICVSA-N 0 0 491.702 4.591 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CCSC(F)(F)F)C2)sc1C ZINC001360895381 1066048025 /nfs/dbraw/zinc/04/80/25/1066048025.db2.gz AFFBJORSNFDMNA-HOTGVXAUSA-N 0 0 475.606 4.882 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCCO2)sc1C ZINC001360895546 1066048043 /nfs/dbraw/zinc/04/80/43/1066048043.db2.gz GJEVAAGBVIQOKZ-GOSISDBHSA-N 0 0 476.444 4.639 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N2CCS[C@@H](C)C2)sc1C ZINC001360895703 1066048459 /nfs/dbraw/zinc/04/84/59/1066048459.db2.gz JVOBRFPKLGBECW-ZDUSSCGKSA-N 0 0 478.485 4.965 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCn3ccnc3C)C2)sc1C ZINC001360895687 1066048565 /nfs/dbraw/zinc/04/85/65/1066048565.db2.gz JJMUALZSPXIUGH-HXUWFJFHSA-N 0 0 455.676 4.919 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1CCC(F)(F)CC1 ZINC001545942688 1066048668 /nfs/dbraw/zinc/04/86/68/1066048668.db2.gz DDSSJGJNEFJYRL-CZUORRHYSA-N 0 0 465.511 4.657 20 0 JJADRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001441534532 1066048711 /nfs/dbraw/zinc/04/87/11/1066048711.db2.gz NXLOKZJJMLOSGM-IBGZPJMESA-N 0 0 454.527 4.656 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2nccs2)sc1C ZINC001360895834 1066048916 /nfs/dbraw/zinc/04/89/16/1066048916.db2.gz NDLURPHFZFFVHM-OAHLLOKOSA-N 0 0 472.615 4.966 20 0 JJADRN C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441532579 1066048948 /nfs/dbraw/zinc/04/89/48/1066048948.db2.gz BQIJWNZCXRSPCW-KRWDZBQOSA-N 0 0 452.555 4.589 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CCCc4ccccc4)n3CCC(=O)NC(C)C)C2)sc1C ZINC001360895987 1066049348 /nfs/dbraw/zinc/04/93/48/1066049348.db2.gz QRMBACCMMJDFNE-QHCPKHFHSA-N 0 0 494.709 4.825 20 0 JJADRN C[C@@H]1CN([C@H](CNC(=O)c2cc3cc(Cl)sc3[nH]2)c2c(F)cccc2Cl)CCO1 ZINC001441547547 1066049811 /nfs/dbraw/zinc/04/98/11/1066049811.db2.gz ZPXXDLAILDZBOZ-BDJLRTHQSA-N 0 0 456.370 4.867 20 0 JJADRN COc1cc(CNC(=O)c2cccc(NCc3cncs3)c2)ccc1OCC(F)(F)F ZINC001441550316 1066050283 /nfs/dbraw/zinc/05/02/83/1066050283.db2.gz UYIFZDVLPJIAIE-UHFFFAOYSA-N 0 0 451.470 4.635 20 0 JJADRN Cn1c(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)nc2cc(F)ccc21 ZINC001360897064 1066050165 /nfs/dbraw/zinc/05/01/65/1066050165.db2.gz ZZGXRRRUJPHQTP-MSOLQXFVSA-N 0 0 472.948 4.955 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1sccc1S(=O)(=O)C(F)F ZINC001360896406 1066050334 /nfs/dbraw/zinc/05/03/34/1066050334.db2.gz DFNBWKNQRNPUJU-UHFFFAOYSA-N 0 0 459.442 4.745 20 0 JJADRN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001441565774 1066051488 /nfs/dbraw/zinc/05/14/88/1066051488.db2.gz SIYPUWZXURSXAY-UHFFFAOYSA-N 0 0 451.995 4.844 20 0 JJADRN Cc1csc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1I ZINC001441565385 1066051731 /nfs/dbraw/zinc/05/17/31/1066051731.db2.gz IPKVTHKKDTVZTO-UHFFFAOYSA-N 0 0 455.321 4.541 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360898769 1066051899 /nfs/dbraw/zinc/05/18/99/1066051899.db2.gz CIEVVEFKVDLVEG-QAPCUYQASA-N 0 0 476.691 4.532 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360898767 1066051972 /nfs/dbraw/zinc/05/19/72/1066051972.db2.gz CIEVVEFKVDLVEG-CRAIPNDOSA-N 0 0 476.691 4.532 20 0 JJADRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)c1 ZINC001441592557 1066052082 /nfs/dbraw/zinc/05/20/82/1066052082.db2.gz NXNZLGXMAIYNAP-GXDFBKAQSA-N 0 0 458.558 4.786 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441593687 1066052513 /nfs/dbraw/zinc/05/25/13/1066052513.db2.gz UJYMQLPHAMJQQC-CNNODRBYSA-N 0 0 459.631 4.504 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001441599284 1066052551 /nfs/dbraw/zinc/05/25/51/1066052551.db2.gz LBLOOEGLUFATCH-LJQANCHMSA-N 0 0 452.473 4.818 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)sc1C ZINC001360899499 1066052761 /nfs/dbraw/zinc/05/27/61/1066052761.db2.gz NWLLQNQBMAPSGN-UHFFFAOYSA-N 0 0 482.698 4.656 20 0 JJADRN Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001441602868 1066052903 /nfs/dbraw/zinc/05/29/03/1066052903.db2.gz LKKCTDMAFORGNX-UHFFFAOYSA-N 0 0 456.514 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC001441600703 1066052983 /nfs/dbraw/zinc/05/29/83/1066052983.db2.gz PEXYPKDNVSTAEO-GOSISDBHSA-N 0 0 450.457 4.783 20 0 JJADRN Cc1nc(CCn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360899628 1066052963 /nfs/dbraw/zinc/05/29/63/1066052963.db2.gz OYDOVFCWHZCGLI-HXUWFJFHSA-N 0 0 488.702 4.630 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001441609881 1066053363 /nfs/dbraw/zinc/05/33/63/1066053363.db2.gz DHEHLTOMQLXNQO-UHFFFAOYSA-N 0 0 459.974 4.826 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC(OCc3ccccc3)CC2)sc1C ZINC001360900030 1066053412 /nfs/dbraw/zinc/05/34/12/1066053412.db2.gz VVMSOOZIIFTXPX-UHFFFAOYSA-N 0 0 453.656 4.978 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CC(=O)N(C)C)c1ccccc1 ZINC001360899932 1066053468 /nfs/dbraw/zinc/05/34/68/1066053468.db2.gz VGEOIQVEADEQRX-UHFFFAOYSA-N 0 0 455.967 4.697 20 0 JJADRN Cc1nc(CCn2c(N3CC[C@@H](C(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360899900 1066053489 /nfs/dbraw/zinc/05/34/89/1066053489.db2.gz UYOYTRVCIWRDBH-DVECYGJZSA-N 0 0 461.676 4.507 20 0 JJADRN Cc1nc(CCn2c(Cc3cccnc3)nnc2N(C)CCOc2cccc(Cl)c2)sc1C ZINC001360899909 1066053571 /nfs/dbraw/zinc/05/35/71/1066053571.db2.gz VCOUMTXVSNPOBG-UHFFFAOYSA-N 0 0 483.041 4.749 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCC1 ZINC001360900345 1066053926 /nfs/dbraw/zinc/05/39/26/1066053926.db2.gz CNHJIATVLGLMNE-UHFFFAOYSA-N 0 0 450.988 4.689 20 0 JJADRN CC[C@@H](CNC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(C)c1 ZINC001441613613 1066054056 /nfs/dbraw/zinc/05/40/56/1066054056.db2.gz JVFNZUNGHDMIHC-IBGZPJMESA-N 0 0 457.571 4.685 20 0 JJADRN COCC1(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360900915 1066054270 /nfs/dbraw/zinc/05/42/70/1066054270.db2.gz ZKBVGYAXBOXKDD-UHFFFAOYSA-N 0 0 459.612 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001441614080 1066054249 /nfs/dbraw/zinc/05/42/49/1066054249.db2.gz MTIGDOJTKRDYNX-QHCPKHFHSA-N 0 0 452.595 4.960 20 0 JJADRN O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC001441616587 1066054508 /nfs/dbraw/zinc/05/45/08/1066054508.db2.gz SPSPWAOAIADRCG-UHFFFAOYSA-N 0 0 455.345 4.954 20 0 JJADRN Cc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2ccc(F)cc2)C(C)C)sc1C ZINC001360901336 1066054642 /nfs/dbraw/zinc/05/46/42/1066054642.db2.gz MZJNBYAQMIWGGX-UHFFFAOYSA-N 0 0 479.585 4.601 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(OC(C)C)CC2)sc1C ZINC001360901526 1066054910 /nfs/dbraw/zinc/05/49/10/1066054910.db2.gz SZPWIFSNMXPWBJ-UHFFFAOYSA-N 0 0 493.475 4.562 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC001441618141 1066054914 /nfs/dbraw/zinc/05/49/14/1066054914.db2.gz CGBXOBRYWQHWEK-IBGZPJMESA-N 0 0 455.599 4.669 20 0 JJADRN CCOc1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)ccc1OC ZINC001441621474 1066054923 /nfs/dbraw/zinc/05/49/23/1066054923.db2.gz JLXAXDQRYNNXEV-UHFFFAOYSA-N 0 0 451.704 4.604 20 0 JJADRN COc1cc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1NC(C)=O ZINC001441620247 1066055122 /nfs/dbraw/zinc/05/51/22/1066055122.db2.gz GQXKXBSGJQBSOY-OAQYLSRUSA-N 0 0 455.555 4.884 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)sc1C ZINC001360901537 1066055146 /nfs/dbraw/zinc/05/51/46/1066055146.db2.gz UCVFLBCAQFEZQC-UHFFFAOYSA-N 0 0 471.936 4.614 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCOC(C)(C)C)sc1C ZINC001360901710 1066055533 /nfs/dbraw/zinc/05/55/33/1066055533.db2.gz ZDIFFZGKYYVKGE-MRXNPFEDSA-N 0 0 461.607 4.930 20 0 JJADRN CC1CCN(c2ccc(CNC(=O)c3ccccc3NC(=O)OCc3ccccc3)cn2)CC1 ZINC001441622698 1066055420 /nfs/dbraw/zinc/05/54/20/1066055420.db2.gz LCMBZPWJZXLVAF-UHFFFAOYSA-N 0 0 458.562 4.997 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccccc1OCC(C)C ZINC001545943245 1066055864 /nfs/dbraw/zinc/05/58/64/1066055864.db2.gz YDTVLYPHCMQPCX-YLJYHZDGSA-N 0 0 495.590 4.914 20 0 JJADRN COc1ccc(F)cc1[C@@H](C)NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 ZINC001441625960 1066055933 /nfs/dbraw/zinc/05/59/33/1066055933.db2.gz PKHWEPQUTAJMLJ-XLCIPPFQSA-N 0 0 452.592 4.581 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1oc2ccccc2c1OC ZINC001545943251 1066056204 /nfs/dbraw/zinc/05/62/04/1066056204.db2.gz YOKYNFYKXIELTD-RHSMWYFYSA-N 0 0 493.530 4.634 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC001441626961 1066056240 /nfs/dbraw/zinc/05/62/40/1066056240.db2.gz SMQSAOAOCQOWSP-PGRDOPGGSA-N 0 0 454.567 4.642 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)CC2)cc1Cl ZINC001441628121 1066056318 /nfs/dbraw/zinc/05/63/18/1066056318.db2.gz YCYMTKNPNNQQGW-INIZCTEOSA-N 0 0 450.366 4.754 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360902813 1066056238 /nfs/dbraw/zinc/05/62/38/1066056238.db2.gz SISWHNNMGCANKS-KRWDZBQOSA-N 0 0 458.521 4.559 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC001441629765 1066056579 /nfs/dbraw/zinc/05/65/79/1066056579.db2.gz JMBSMQIEJAQVAP-UHFFFAOYSA-N 0 0 458.399 4.592 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)OC(C)(C)C2)sc1C ZINC001360903083 1066056673 /nfs/dbraw/zinc/05/66/73/1066056673.db2.gz SCOVZMKBBYICHB-CYBMUJFWSA-N 0 0 476.444 4.833 20 0 JJADRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H](O)c1cccc(Br)c1 ZINC001441631901 1066056639 /nfs/dbraw/zinc/05/66/39/1066056639.db2.gz QEVPQZKKBCTJMG-OAHLLOKOSA-N 0 0 450.226 4.538 20 0 JJADRN Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1OCC1CCCCC1 ZINC001360903652 1066057058 /nfs/dbraw/zinc/05/70/58/1066057058.db2.gz HRYJHPHGPORKEZ-SANMLTNESA-N 0 0 455.599 4.783 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001441647560 1066057311 /nfs/dbraw/zinc/05/73/11/1066057311.db2.gz YFWVWTHWOCPCOG-UHFFFAOYSA-N 0 0 453.486 4.776 20 0 JJADRN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001360903737 1066057208 /nfs/dbraw/zinc/05/72/08/1066057208.db2.gz LNYJKNKORUHAHV-HXUWFJFHSA-N 0 0 457.317 4.928 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001441663599 1066059028 /nfs/dbraw/zinc/05/90/28/1066059028.db2.gz HTBYEDDFTSZRIA-UHFFFAOYSA-N 0 0 457.553 4.970 20 0 JJADRN COC(=O)Nc1ccc(OC(=O)Cc2csc(-c3sccc3Br)n2)cc1 ZINC001441665518 1066059093 /nfs/dbraw/zinc/05/90/93/1066059093.db2.gz AMRNKSYRHHBLMO-UHFFFAOYSA-N 0 0 453.339 4.961 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)CC1 ZINC001441665801 1066059172 /nfs/dbraw/zinc/05/91/72/1066059172.db2.gz BOBSHXLXZTWUPX-UHFFFAOYSA-N 0 0 454.014 4.839 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)sc1C ZINC001360905124 1066059223 /nfs/dbraw/zinc/05/92/23/1066059223.db2.gz UDMYIXVWTKBMRA-CQSZACIVSA-N 0 0 482.473 4.754 20 0 JJADRN O=C(c1cc2cccc(C(F)(F)F)c2[nH]c1=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441668557 1066059419 /nfs/dbraw/zinc/05/94/19/1066059419.db2.gz GCRHAXVEZUNJAL-UHFFFAOYSA-N 0 0 452.379 4.921 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492597669 1066059915 /nfs/dbraw/zinc/05/99/15/1066059915.db2.gz DARKWSTXVASQTN-PZJWPPBQSA-N 0 0 497.665 4.810 20 0 JJADRN O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441677247 1066060464 /nfs/dbraw/zinc/06/04/64/1066060464.db2.gz XNAQOCWDPRRUAF-UHFFFAOYSA-N 0 0 453.367 4.717 20 0 JJADRN CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC001441681655 1066060770 /nfs/dbraw/zinc/06/07/70/1066060770.db2.gz ALSFCTXKCWSFQU-LEWJYISDSA-N 0 0 456.652 4.726 20 0 JJADRN CCN(C(=O)[C@H](C)[C@@H]1OCCc2sccc21)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906601 1066060797 /nfs/dbraw/zinc/06/07/97/1066060797.db2.gz HOGWEUATOBRYLL-JPYJTQIMSA-N 0 0 456.656 4.737 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)ccc1OCc1ccncc1 ZINC001441685284 1066061180 /nfs/dbraw/zinc/06/11/80/1066061180.db2.gz GTWNMLNYVIJOOJ-GFRNBQLOSA-N 0 0 481.593 4.634 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001441684834 1066061216 /nfs/dbraw/zinc/06/12/16/1066061216.db2.gz ZJVDHRNNHJZNNC-QHCPKHFHSA-N 0 0 454.567 4.713 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1 ZINC001441683535 1066061252 /nfs/dbraw/zinc/06/12/52/1066061252.db2.gz SIOKVVKLEFLMNE-UHFFFAOYSA-N 0 0 452.576 4.821 20 0 JJADRN COc1cc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)ccc1C ZINC001360907073 1066061229 /nfs/dbraw/zinc/06/12/29/1066061229.db2.gz TVTGWVLQPDFXFO-UHFFFAOYSA-N 0 0 457.324 4.584 20 0 JJADRN CO[C@@H](C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1C(F)(F)F ZINC001360907094 1066061263 /nfs/dbraw/zinc/06/12/63/1066061263.db2.gz UFKZEWVPAAOEGC-RNODOKPDSA-N 0 0 454.876 4.655 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)CCC(=O)Nc2c(F)cccc2F)cn1 ZINC001441688911 1066061481 /nfs/dbraw/zinc/06/14/81/1066061481.db2.gz AAPIJEFGZOZLIS-UHFFFAOYSA-N 0 0 455.461 4.586 20 0 JJADRN Cc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1NC(=O)Nc1ccccc1 ZINC001441691921 1066061622 /nfs/dbraw/zinc/06/16/22/1066061622.db2.gz KCCKASTZUIRLPW-UHFFFAOYSA-N 0 0 457.456 4.895 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCCNc3ncccc3C(F)(F)F)c3c(C)noc3n2)c(C)o1 ZINC001441690377 1066061637 /nfs/dbraw/zinc/06/16/37/1066061637.db2.gz AGIRCEPJGTYTAZ-UHFFFAOYSA-N 0 0 459.428 4.664 20 0 JJADRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001441688670 1066061674 /nfs/dbraw/zinc/06/16/74/1066061674.db2.gz OKEBVFBOZVFCTF-UHFFFAOYSA-N 0 0 455.480 4.530 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCCC1(F)F ZINC001360907309 1066061756 /nfs/dbraw/zinc/06/17/56/1066061756.db2.gz BHVUJLYMENVTEP-QGZVFWFLSA-N 0 0 482.645 4.854 20 0 JJADRN CCCOc1cccc(CC(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c1 ZINC001441700048 1066062432 /nfs/dbraw/zinc/06/24/32/1066062432.db2.gz DNZXBEPDCXGEMW-UHFFFAOYSA-N 0 0 452.501 4.964 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C2CCC2)n1CCCCCS(C)(=O)=O ZINC001360907790 1066062527 /nfs/dbraw/zinc/06/25/27/1066062527.db2.gz QSHUTUCGCHIWRJ-UHFFFAOYSA-N 0 0 473.668 4.581 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 ZINC001441697110 1066062582 /nfs/dbraw/zinc/06/25/82/1066062582.db2.gz UEESGPXEOZXOGU-SFHVURJKSA-N 0 0 457.571 4.924 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCSC(C)C ZINC001360907997 1066062699 /nfs/dbraw/zinc/06/26/99/1066062699.db2.gz XLQSNYZIEFRIGR-IEBWSBKVSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)c2cccs2)n1CCC(C)(F)F ZINC001360907975 1066062779 /nfs/dbraw/zinc/06/27/79/1066062779.db2.gz XGFJFVQGYIVUJH-OAHLLOKOSA-N 0 0 482.626 4.851 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1F ZINC001441704311 1066062951 /nfs/dbraw/zinc/06/29/51/1066062951.db2.gz SQOLLZJTELXQRN-INIZCTEOSA-N 0 0 450.485 4.551 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCSCC(C)C ZINC001360908214 1066063570 /nfs/dbraw/zinc/06/35/70/1066063570.db2.gz FSGYAGXPOQUWLV-GOSISDBHSA-N 0 0 498.722 4.823 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)C2)nc1 ZINC001441713293 1066063688 /nfs/dbraw/zinc/06/36/88/1066063688.db2.gz IQHVQSKLEGVEAD-ZDUSSCGKSA-N 0 0 454.379 4.599 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)Cc1ccc(Br)cc1O ZINC001441721517 1066063735 /nfs/dbraw/zinc/06/37/35/1066063735.db2.gz BRVOSOAEPKIFPL-GASCZTMLSA-N 0 0 459.384 4.762 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)C2)nc1 ZINC001441713287 1066063784 /nfs/dbraw/zinc/06/37/84/1066063784.db2.gz IQHVQSKLEGVEAD-CYBMUJFWSA-N 0 0 454.379 4.599 20 0 JJADRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001441722128 1066064357 /nfs/dbraw/zinc/06/43/57/1066064357.db2.gz HPLLXDNKVMOVHJ-SFHVURJKSA-N 0 0 457.958 4.957 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CC(=O)NC1CCCCC1 ZINC001360908630 1066064221 /nfs/dbraw/zinc/06/42/21/1066064221.db2.gz OEHPJLDOCJCUFE-UHFFFAOYSA-N 0 0 488.608 4.917 20 0 JJADRN COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC001441731278 1066064724 /nfs/dbraw/zinc/06/47/24/1066064724.db2.gz BKOYOOMMZFLPGK-INIZCTEOSA-N 0 0 454.390 4.514 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001441726785 1066064745 /nfs/dbraw/zinc/06/47/45/1066064745.db2.gz ZVCRQSSTGXNJNE-AMZMEHNNSA-N 0 0 457.615 4.697 20 0 JJADRN O=C(Nc1ncc(Cc2ccccc2F)s1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001441727241 1066064756 /nfs/dbraw/zinc/06/47/56/1066064756.db2.gz PMOLRKVQJWLFEM-LPYMAVHISA-N 0 0 458.518 4.678 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC001441729642 1066064881 /nfs/dbraw/zinc/06/48/81/1066064881.db2.gz DEAHZPXIPMZNBP-MBZYTVFJSA-N 0 0 471.579 4.579 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001360908983 1066064895 /nfs/dbraw/zinc/06/48/95/1066064895.db2.gz UGENFFQKWJRBMM-CEQLMSFQSA-N 0 0 490.718 4.621 20 0 JJADRN CN(CCc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)C(=O)OC(C)(C)C ZINC001441733315 1066065177 /nfs/dbraw/zinc/06/51/77/1066065177.db2.gz NLMIIRDYPYEASZ-UHFFFAOYSA-N 0 0 457.596 4.960 20 0 JJADRN Cc1c(C(=O)Nc2c(F)cc(Br)cc2F)nnn1-c1ccc(OC(C)C)cc1 ZINC001360909145 1066065312 /nfs/dbraw/zinc/06/53/12/1066065312.db2.gz MFOQBSHOUTVDOU-UHFFFAOYSA-N 0 0 451.271 4.656 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(C)O ZINC001360909059 1066065338 /nfs/dbraw/zinc/06/53/38/1066065338.db2.gz WNWQEKZRRVVPGQ-UHFFFAOYSA-N 0 0 479.654 4.525 20 0 JJADRN CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC001441735721 1066065740 /nfs/dbraw/zinc/06/57/40/1066065740.db2.gz VSBOHPHKPUBPAV-IBGZPJMESA-N 0 0 458.628 4.597 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1Cc1cccc(OCC(C)C)c1 ZINC001360909263 1066065710 /nfs/dbraw/zinc/06/57/10/1066065710.db2.gz ZTWTVCOFUPJEGO-UHFFFAOYSA-N 0 0 498.697 4.722 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2ccoc2)n1CCNC(=O)C(C)(C)C ZINC001360909235 1066065808 /nfs/dbraw/zinc/06/58/08/1066065808.db2.gz ZBIKHDCHMDQBGO-UHFFFAOYSA-N 0 0 478.622 4.769 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC(C)C ZINC001360910415 1066066172 /nfs/dbraw/zinc/06/61/72/1066066172.db2.gz FTVYHYJUTXEDOU-UHFFFAOYSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC(C)C ZINC001360910416 1066066657 /nfs/dbraw/zinc/06/66/57/1066066657.db2.gz FUQQVOUIGBXLIK-IBGZPJMESA-N 0 0 466.655 4.726 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@H](COC(C)C)C2)n1CCOC(C)(C)C ZINC001360910447 1066066721 /nfs/dbraw/zinc/06/67/21/1066066721.db2.gz GTVYOBHMAYHLMW-NRFANRHFSA-N 0 0 499.681 4.822 20 0 JJADRN Cc1sc(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)nc1-c1ccc(C)cc1 ZINC001441742233 1066066883 /nfs/dbraw/zinc/06/68/83/1066066883.db2.gz GKTJOTNZYAYKBC-UHFFFAOYSA-N 0 0 454.571 4.562 20 0 JJADRN O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001441744507 1066067037 /nfs/dbraw/zinc/06/70/37/1066067037.db2.gz AVCROLHIVSKSHC-LLVKDONJSA-N 0 0 458.592 4.556 20 0 JJADRN CCOc1cc(C(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)cc(Cl)c1O ZINC001441745104 1066067238 /nfs/dbraw/zinc/06/72/38/1066067238.db2.gz RCBNNSMRGLIWDH-UHFFFAOYSA-N 0 0 458.898 4.579 20 0 JJADRN COc1ccc(C=O)c(OCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 ZINC001441745123 1066067362 /nfs/dbraw/zinc/06/73/62/1066067362.db2.gz GHSBEAFTYQZWQP-UHFFFAOYSA-N 0 0 451.331 4.879 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCCC(F)(F)F ZINC001360910738 1066067413 /nfs/dbraw/zinc/06/74/13/1066067413.db2.gz OALJMNZHQRWFSB-LSDHHAIUSA-N 0 0 472.581 4.514 20 0 JJADRN CN(CCCNC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001441751024 1066067742 /nfs/dbraw/zinc/06/77/42/1066067742.db2.gz LIEDGGDTRMWMPQ-UHFFFAOYSA-N 0 0 455.640 4.567 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCCC(C)(C)C ZINC001360911053 1066067873 /nfs/dbraw/zinc/06/78/73/1066067873.db2.gz VGNLAGIWZVWZRI-RUZDIDTESA-N 0 0 466.655 4.905 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001360911148 1066068181 /nfs/dbraw/zinc/06/81/81/1066068181.db2.gz YDSSDPKCXWXAFX-GASCZTMLSA-N 0 0 486.608 4.617 20 0 JJADRN COc1cc(CNC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OCCO ZINC001441763235 1066068191 /nfs/dbraw/zinc/06/81/91/1066068191.db2.gz CYPXHOOKOLGDOC-UHFFFAOYSA-N 0 0 452.378 4.891 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCC(C)(C)C ZINC001360911379 1066068597 /nfs/dbraw/zinc/06/85/97/1066068597.db2.gz JOKNUWWTYLVLPX-QZTJIDSGSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360911517 1066068634 /nfs/dbraw/zinc/06/86/34/1066068634.db2.gz NYHQWERHZXPUJV-AWEZNQCLSA-N 0 0 491.409 4.515 20 0 JJADRN CC(C)(C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC001441776172 1066069087 /nfs/dbraw/zinc/06/90/87/1066069087.db2.gz SRQOBPPFPDLHEK-UHFFFAOYSA-N 0 0 458.480 4.518 20 0 JJADRN CN1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c2cc(Cl)ccc21 ZINC001360912615 1066069319 /nfs/dbraw/zinc/06/93/19/1066069319.db2.gz WVSLIBZGBDJDNT-UHFFFAOYSA-N 0 0 454.979 4.801 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC001441785986 1066069391 /nfs/dbraw/zinc/06/93/91/1066069391.db2.gz HIRJCQVCTBXDCF-VXKWHMMOSA-N 0 0 458.599 4.585 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360913120 1066069709 /nfs/dbraw/zinc/06/97/09/1066069709.db2.gz NFMILGCIDVIFFZ-IBGZPJMESA-N 0 0 450.631 4.911 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360913041 1066069786 /nfs/dbraw/zinc/06/97/86/1066069786.db2.gz KHZUQFSJDFKLHE-CABCVRRESA-N 0 0 493.450 4.841 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001441794789 1066069836 /nfs/dbraw/zinc/06/98/36/1066069836.db2.gz GFQZHKLHSLZSMS-HSZRJFAPSA-N 0 0 455.986 4.860 20 0 JJADRN Cc1nc(NC(=O)c2c(Br)nc3n2CCC3)sc1Cc1cccc(Cl)c1 ZINC001441788405 1066069988 /nfs/dbraw/zinc/06/99/88/1066069988.db2.gz SUDMLIAYHFBIDU-UHFFFAOYSA-N 0 0 451.777 4.853 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001360914796 1066070662 /nfs/dbraw/zinc/07/06/62/1066070662.db2.gz NKRYCQKLOKAWPC-NRFANRHFSA-N 0 0 460.985 4.511 20 0 JJADRN COc1cc(CN(C)C(=O)CCc2cc(Br)ccc2F)c(SC)cc1OC ZINC001360913961 1066070728 /nfs/dbraw/zinc/07/07/28/1066070728.db2.gz NMVZSUDLNWAGDE-UHFFFAOYSA-N 0 0 456.377 4.919 20 0 JJADRN CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)[C@@H](C)c1ccc(F)cc1 ZINC001441806539 1066070732 /nfs/dbraw/zinc/07/07/32/1066070732.db2.gz AAIALDQKFZKXET-IBGZPJMESA-N 0 0 454.567 4.836 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1 ZINC001441807995 1066070748 /nfs/dbraw/zinc/07/07/48/1066070748.db2.gz AWLSAVWQRXGSNL-UHFFFAOYSA-N 0 0 457.166 4.710 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001360914977 1066071134 /nfs/dbraw/zinc/07/11/34/1066071134.db2.gz TUAICRSEDHNVRY-UHFFFAOYSA-N 0 0 457.022 4.580 20 0 JJADRN CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441809028 1066071120 /nfs/dbraw/zinc/07/11/20/1066071120.db2.gz IYKQQGBVIZEOIG-RBUKOAKNSA-N 0 0 458.400 4.599 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC001441808867 1066071178 /nfs/dbraw/zinc/07/11/78/1066071178.db2.gz IADOMKRUDGGXJF-UHFFFAOYSA-N 0 0 454.889 4.552 20 0 JJADRN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001441809604 1066071222 /nfs/dbraw/zinc/07/12/22/1066071222.db2.gz HYUJJPOIXUJLNV-MSOLQXFVSA-N 0 0 454.439 4.748 20 0 JJADRN CCCOc1ccc(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1Cl ZINC001441810802 1066071492 /nfs/dbraw/zinc/07/14/92/1066071492.db2.gz BMPXIVRDCZJDQQ-OALUTQOASA-N 0 0 453.926 4.659 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1C ZINC001360915437 1066071490 /nfs/dbraw/zinc/07/14/90/1066071490.db2.gz GTFWLAZWTUPSNM-ZDUSSCGKSA-N 0 0 453.324 4.830 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ccc2c1 ZINC001441811824 1066071651 /nfs/dbraw/zinc/07/16/51/1066071651.db2.gz NHJRUHUQFVWLJN-INIZCTEOSA-N 0 0 451.954 4.878 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001360916640 1066072309 /nfs/dbraw/zinc/07/23/09/1066072309.db2.gz VKHHOQHLSUWXLM-AJSBUHFISA-N 0 0 493.656 4.911 20 0 JJADRN Cc1n[nH]cc1CCCn1c(N(C)CCOC(C)(C)C)nnc1C1(c2ccccc2)CCC1 ZINC001360916319 1066072347 /nfs/dbraw/zinc/07/23/47/1066072347.db2.gz IOJVMNWTSXHTKD-UHFFFAOYSA-N 0 0 450.631 4.664 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC001360917447 1066072658 /nfs/dbraw/zinc/07/26/58/1066072658.db2.gz QJCJEHVNLXHTIF-QFIPXVFZSA-N 0 0 455.396 4.693 20 0 JJADRN COCCOCc1cc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)ccc1F ZINC001360917344 1066072716 /nfs/dbraw/zinc/07/27/16/1066072716.db2.gz OPQAYFLOUGJCCZ-UHFFFAOYSA-N 0 0 450.348 4.555 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360917928 1066072921 /nfs/dbraw/zinc/07/29/21/1066072921.db2.gz FHKWXTYUZLZPIX-OAHLLOKOSA-N 0 0 490.008 4.588 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001360917791 1066073115 /nfs/dbraw/zinc/07/31/15/1066073115.db2.gz XGJKAKQYGAAYPY-FDDCHVKYSA-N 0 0 452.576 4.724 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCOCC1 ZINC001360918163 1066073453 /nfs/dbraw/zinc/07/34/53/1066073453.db2.gz KXQUTFVOWSRDAH-UHFFFAOYSA-N 0 0 478.460 4.522 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360917969 1066073552 /nfs/dbraw/zinc/07/35/52/1066073552.db2.gz FVFUSFUFJKUYFT-WOJBJXKFSA-N 0 0 488.629 4.800 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360918200 1066073802 /nfs/dbraw/zinc/07/38/02/1066073802.db2.gz LWYRWNSQVOITHI-WOJBJXKFSA-N 0 0 499.656 4.863 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)ccn2)cc1 ZINC001441823878 1066073909 /nfs/dbraw/zinc/07/39/09/1066073909.db2.gz XGNHKUHTGCDHHN-FCHUYYIVSA-N 0 0 469.582 4.972 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c(C)n1-c1ccn(C)n1 ZINC001441822550 1066073978 /nfs/dbraw/zinc/07/39/78/1066073978.db2.gz NBYINDGECPCHEN-OAHLLOKOSA-N 0 0 453.974 4.748 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001360918345 1066074269 /nfs/dbraw/zinc/07/42/69/1066074269.db2.gz PUPMKBSBUZZGET-QGZVFWFLSA-N 0 0 479.572 4.557 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@H]2CCOc3cc(OC)ccc32)nnc1-c1ccccc1 ZINC001360919070 1066074634 /nfs/dbraw/zinc/07/46/34/1066074634.db2.gz JNEVMWPJYCWQAD-JXFKEZNVSA-N 0 0 452.580 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)on2)CC1 ZINC001441829883 1066074964 /nfs/dbraw/zinc/07/49/64/1066074964.db2.gz ZIBJXJUNTAFJBJ-UHFFFAOYSA-N 0 0 458.534 4.781 20 0 JJADRN CCSCC[C@@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001360919171 1066075213 /nfs/dbraw/zinc/07/52/13/1066075213.db2.gz LHCKUQCYIFOTIL-OAHLLOKOSA-N 0 0 454.514 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001441854713 1066075418 /nfs/dbraw/zinc/07/54/18/1066075418.db2.gz PKVZUHHSSRPVNK-KRWDZBQOSA-N 0 0 451.995 4.602 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC001441869651 1066075663 /nfs/dbraw/zinc/07/56/63/1066075663.db2.gz ONSZUPSXPBLHTM-QFIPXVFZSA-N 0 0 450.535 4.707 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360920110 1066075989 /nfs/dbraw/zinc/07/59/89/1066075989.db2.gz OAJKBYWOFIJYKN-SFHVURJKSA-N 0 0 472.058 4.904 20 0 JJADRN O=C(Cc1cccnc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001441877941 1066076086 /nfs/dbraw/zinc/07/60/86/1066076086.db2.gz AIRGNDFPOVKNGA-UHFFFAOYSA-N 0 0 454.310 4.510 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001360920206 1066076320 /nfs/dbraw/zinc/07/63/20/1066076320.db2.gz RHJIPEVPTORUBR-UHFFFAOYSA-N 0 0 489.045 4.521 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001441879190 1066076757 /nfs/dbraw/zinc/07/67/57/1066076757.db2.gz ZFKGYJWAIPSLGC-UHFFFAOYSA-N 0 0 452.595 4.758 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC001441880440 1066076780 /nfs/dbraw/zinc/07/67/80/1066076780.db2.gz CULBEWVWUOUTSN-LVXARBLLSA-N 0 0 457.615 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC001441880437 1066076857 /nfs/dbraw/zinc/07/68/57/1066076857.db2.gz CULBEWVWUOUTSN-HFZDXXHNSA-N 0 0 457.615 4.905 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)OCc2cc(Cl)ccc2OC(F)F)s1 ZINC001360920537 1066076786 /nfs/dbraw/zinc/07/67/86/1066076786.db2.gz HVYDVHZDQGORAD-HNNXBMFYSA-N 0 0 453.898 4.967 20 0 JJADRN CC(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1 ZINC001360921790 1066077495 /nfs/dbraw/zinc/07/74/95/1066077495.db2.gz JIGBDEUXLMSDRT-UHFFFAOYSA-N 0 0 457.514 4.995 20 0 JJADRN Cc1cc(I)cnc1NC(=O)CCCCc1nc2ccccc2s1 ZINC001360922016 1066077519 /nfs/dbraw/zinc/07/75/19/1066077519.db2.gz MXMPQFVGZQIYEI-UHFFFAOYSA-N 0 0 451.333 4.956 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360921166 1066077629 /nfs/dbraw/zinc/07/76/29/1066077629.db2.gz CSGDJRCJNLSHJY-IBGZPJMESA-N 0 0 490.471 4.969 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2csc(I)n2)CC1 ZINC001441885451 1066077760 /nfs/dbraw/zinc/07/77/60/1066077760.db2.gz NNMCGTZAMOWXTM-UHFFFAOYSA-N 0 0 451.333 4.557 20 0 JJADRN Cc1ncsc1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360923288 1066078635 /nfs/dbraw/zinc/07/86/35/1066078635.db2.gz OVKLKGJLOARBAD-CQSZACIVSA-N 0 0 453.509 4.636 20 0 JJADRN O=C(c1ccsc1)N1CCN(C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC001441887489 1066078779 /nfs/dbraw/zinc/07/87/79/1066078779.db2.gz QYPIJGDTKAIGDA-NRFANRHFSA-N 0 0 458.942 4.645 20 0 JJADRN Cc1ncsc1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360923287 1066078758 /nfs/dbraw/zinc/07/87/58/1066078758.db2.gz OVKLKGJLOARBAD-AWEZNQCLSA-N 0 0 453.509 4.636 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1 ZINC001441890973 1066079214 /nfs/dbraw/zinc/07/92/14/1066079214.db2.gz KJAYJOPZTUBWNO-DENIHFKCSA-N 0 0 465.594 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC001441892102 1066079227 /nfs/dbraw/zinc/07/92/27/1066079227.db2.gz NILMZCXKEZPIPS-NVQXNPDNSA-N 0 0 453.583 4.750 20 0 JJADRN CC1CCN(C(=O)C2CCN(C(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)CC2)CC1 ZINC001441892283 1066079495 /nfs/dbraw/zinc/07/94/95/1066079495.db2.gz NTJLGGBCBCXJAY-UHFFFAOYSA-N 0 0 456.936 4.888 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001360923589 1066079628 /nfs/dbraw/zinc/07/96/28/1066079628.db2.gz XJQHAVCIOXJZJJ-WMZOPIPTSA-N 0 0 494.434 4.699 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001360923664 1066079958 /nfs/dbraw/zinc/07/99/58/1066079958.db2.gz ZGDCHSQPJHWISH-GOSISDBHSA-N 0 0 487.073 4.993 20 0 JJADRN CC[C@]1(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441896359 1066080108 /nfs/dbraw/zinc/08/01/08/1066080108.db2.gz VWNITIUQFXDQJD-SIBVEZHUSA-N 0 0 453.583 4.875 20 0 JJADRN Cc1ccsc1CCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360924198 1066080201 /nfs/dbraw/zinc/08/02/01/1066080201.db2.gz KULOEPMKZGHPGS-IBGZPJMESA-N 0 0 493.599 4.585 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360924163 1066080216 /nfs/dbraw/zinc/08/02/16/1066080216.db2.gz KCXKVSMFRIULLQ-UHFFFAOYSA-N 0 0 460.047 4.924 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCC3CN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001441898942 1066080426 /nfs/dbraw/zinc/08/04/26/1066080426.db2.gz ZZRLIZLOGBMJQC-UHFFFAOYSA-N 0 0 451.567 4.511 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1Cl ZINC001441917376 1066080833 /nfs/dbraw/zinc/08/08/33/1066080833.db2.gz QUUOUZYZBISXSO-GOSISDBHSA-N 0 0 454.011 4.994 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001360924815 1066081235 /nfs/dbraw/zinc/08/12/35/1066081235.db2.gz XCUTZTNKPHVHCY-CVCYQNGTSA-N 0 0 471.696 4.953 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001360925450 1066081479 /nfs/dbraw/zinc/08/14/79/1066081479.db2.gz FNPKKGXTBUJXBC-UHFFFAOYSA-N 0 0 458.893 4.532 20 0 JJADRN COc1cccc(Oc2ccc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001441928473 1066081477 /nfs/dbraw/zinc/08/14/77/1066081477.db2.gz FIKUSBGGOIEKEP-QFIPXVFZSA-N 0 0 456.539 4.842 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(I)c(F)c2)cc1 ZINC001360925551 1066081528 /nfs/dbraw/zinc/08/15/28/1066081528.db2.gz JRRFAAJIQWLAOU-APWZRJJASA-N 0 0 453.295 4.636 20 0 JJADRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](CCSC)NC(=O)Cc1ccccc1 ZINC001441944416 1066081710 /nfs/dbraw/zinc/08/17/10/1066081710.db2.gz BOXBSRFPVATMNQ-FQEVSTJZSA-N 0 0 453.435 4.823 20 0 JJADRN O=C(c1nscc1I)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001441933808 1066081722 /nfs/dbraw/zinc/08/17/22/1066081722.db2.gz OOVDAVZKVSIXGF-UHFFFAOYSA-N 0 0 453.132 4.859 20 0 JJADRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](CCSC)NC(=O)Cc1ccccc1 ZINC001441944419 1066081733 /nfs/dbraw/zinc/08/17/33/1066081733.db2.gz BOXBSRFPVATMNQ-HXUWFJFHSA-N 0 0 453.435 4.823 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc(F)c2I)cc1 ZINC001360925687 1066081815 /nfs/dbraw/zinc/08/18/15/1066081815.db2.gz NXIRZNSURIKMDW-KXBFYZLASA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOCc1ccccc1 ZINC001360926204 1066082542 /nfs/dbraw/zinc/08/25/42/1066082542.db2.gz INTNLLZQMUBUJL-FYYLOGMGSA-N 0 0 483.682 4.857 20 0 JJADRN Cc1ncsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001360926213 1066082642 /nfs/dbraw/zinc/08/26/42/1066082642.db2.gz IOGCKONVOORITK-UHFFFAOYSA-N 0 0 474.059 4.601 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC001441958237 1066083044 /nfs/dbraw/zinc/08/30/44/1066083044.db2.gz NFYIFKASCPAODJ-UHFFFAOYSA-N 0 0 456.627 4.716 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001360926526 1066083161 /nfs/dbraw/zinc/08/31/61/1066083161.db2.gz RTCZQHUSQQRKHT-HXUWFJFHSA-N 0 0 461.632 4.582 20 0 JJADRN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001441966032 1066083374 /nfs/dbraw/zinc/08/33/74/1066083374.db2.gz DPOGNBHCYZXUDI-KDURUIRLSA-N 0 0 450.608 4.899 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360926548 1066083384 /nfs/dbraw/zinc/08/33/84/1066083384.db2.gz SQDDSDVCXZQXBF-RQBNJVACSA-N 0 0 475.703 4.846 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360926587 1066083650 /nfs/dbraw/zinc/08/36/50/1066083650.db2.gz UPMNMBORHQKKHG-RWQQGDIJSA-N 0 0 474.675 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)C1 ZINC001545945437 1066083591 /nfs/dbraw/zinc/08/35/91/1066083591.db2.gz SUGILVXXFREUTH-LJQANCHMSA-N 0 0 457.527 4.812 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1CCCCO1 ZINC001360926979 1066083854 /nfs/dbraw/zinc/08/38/54/1066083854.db2.gz IOCFMUDUUBVBGX-QFIPXVFZSA-N 0 0 486.016 4.749 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)OCc2cc(Br)ccc2F)s1 ZINC001360927904 1066083893 /nfs/dbraw/zinc/08/38/93/1066083893.db2.gz RAJLSIFAZSMIMW-INIZCTEOSA-N 0 0 450.333 4.614 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1C(F)(F)F ZINC001360926853 1066083913 /nfs/dbraw/zinc/08/39/13/1066083913.db2.gz CWZQECOLRCQDES-UHFFFAOYSA-N 0 0 484.482 4.725 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1 ZINC001441983092 1066083934 /nfs/dbraw/zinc/08/39/34/1066083934.db2.gz NXOLNVBAYDDYII-UHFFFAOYSA-N 0 0 451.420 4.828 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC001441982565 1066083953 /nfs/dbraw/zinc/08/39/53/1066083953.db2.gz DESSQJILWZYGPJ-UZUQRXQVSA-N 0 0 451.995 4.731 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cnc(NC(=O)OC(C)(C)C)s1 ZINC001441991719 1066084403 /nfs/dbraw/zinc/08/44/03/1066084403.db2.gz VZDYKVDMHICJQZ-UHFFFAOYSA-N 0 0 459.547 4.724 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001360928524 1066084299 /nfs/dbraw/zinc/08/42/99/1066084299.db2.gz JMPZPDMEGCNOTL-NQIIRXRSSA-N 0 0 459.612 4.682 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360928689 1066084444 /nfs/dbraw/zinc/08/44/44/1066084444.db2.gz MLGIOVROXPMLJF-TZRRMPRUSA-N 0 0 452.595 4.920 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1csc(C(C)C)n1 ZINC001360929313 1066084622 /nfs/dbraw/zinc/08/46/22/1066084622.db2.gz BJNHRUWMTRURCI-XMMPIXPASA-N 0 0 473.643 4.679 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)noc1C ZINC001360929275 1066084809 /nfs/dbraw/zinc/08/48/09/1066084809.db2.gz AFCPMKOFTKZCMW-UHFFFAOYSA-N 0 0 473.400 4.762 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492597553 1066085125 /nfs/dbraw/zinc/08/51/25/1066085125.db2.gz AREQABYRMGDIRO-RBUKOAKNSA-N 0 0 459.516 4.819 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492597554 1066085145 /nfs/dbraw/zinc/08/51/45/1066085145.db2.gz AREQABYRMGDIRO-RTBURBONSA-N 0 0 459.516 4.819 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCC1 ZINC001360929428 1066085188 /nfs/dbraw/zinc/08/51/88/1066085188.db2.gz FDEMXBMBIMTEMM-MRXNPFEDSA-N 0 0 462.019 4.778 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cccs2)cnn1C ZINC001360929584 1066085604 /nfs/dbraw/zinc/08/56/04/1066085604.db2.gz JSMCOHGOJMELDX-QGZVFWFLSA-N 0 0 454.575 4.540 20 0 JJADRN C[C@H]1CCCN(Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024485 1066086103 /nfs/dbraw/zinc/08/61/03/1066086103.db2.gz XCAXIGNUETYNBE-GHTZIAJQSA-N 0 0 456.612 4.505 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(C)CCOCC2)cnn1C ZINC001360929813 1066086141 /nfs/dbraw/zinc/08/61/41/1066086141.db2.gz NCEIVPYDYBTJBA-GOSISDBHSA-N 0 0 473.021 4.567 20 0 JJADRN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)C(C)(C)c2cccc(Cl)c2F)CC1 ZINC001442026786 1066086459 /nfs/dbraw/zinc/08/64/59/1066086459.db2.gz YGFFTGAHWAUEKY-INIZCTEOSA-N 0 0 456.949 4.712 20 0 JJADRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)C(C)(C)c2cccc(Cl)c2F)CC1 ZINC001442026787 1066086629 /nfs/dbraw/zinc/08/66/29/1066086629.db2.gz YGFFTGAHWAUEKY-MRXNPFEDSA-N 0 0 456.949 4.712 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)cnn1C ZINC001360929857 1066086559 /nfs/dbraw/zinc/08/65/59/1066086559.db2.gz NUIKCKSQBQFTIF-MRXNPFEDSA-N 0 0 457.003 4.860 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360929866 1066086647 /nfs/dbraw/zinc/08/66/47/1066086647.db2.gz ODQRMNINSZJQCL-XMMPIXPASA-N 0 0 491.608 4.880 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@H]3CCN(c4ccc(Br)cc4)C3)[nH]n2)cc1C ZINC001442041024 1066087231 /nfs/dbraw/zinc/08/72/31/1066087231.db2.gz DRXMKHRIGUEYLK-QGZVFWFLSA-N 0 0 453.384 4.712 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(OC(F)(F)Cl)cc1 ZINC001442041112 1066087258 /nfs/dbraw/zinc/08/72/58/1066087258.db2.gz DWWNWBXFVTUWOL-ZDUSSCGKSA-N 0 0 459.718 4.873 20 0 JJADRN Cc1cc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)ccc1NC(=O)c1ccco1 ZINC001442039046 1066087382 /nfs/dbraw/zinc/08/73/82/1066087382.db2.gz PBYHMACGUQWARY-HXUWFJFHSA-N 0 0 453.539 4.959 20 0 JJADRN Cc1cc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)ccc1NC(=O)c1ccco1 ZINC001442042220 1066087441 /nfs/dbraw/zinc/08/74/41/1066087441.db2.gz USDQFXNNLNFBSP-JWGURIENSA-N 0 0 455.470 4.843 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br ZINC001360930926 1066087762 /nfs/dbraw/zinc/08/77/62/1066087762.db2.gz PQYLLBSYXWTRDU-GFCCVEGCSA-N 0 0 490.349 4.946 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)C1(CCOCc2ccccc2)CC1 ZINC001442050154 1066087750 /nfs/dbraw/zinc/08/77/50/1066087750.db2.gz NPPOIJSDAYJQBZ-FQEVSTJZSA-N 0 0 457.412 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCC1(c3cccc(Br)c3)CCC1)C2 ZINC001442059677 1066088095 /nfs/dbraw/zinc/08/80/95/1066088095.db2.gz CPDDDRAYBKCCDQ-QYZOEREBSA-N 0 0 463.416 4.775 20 0 JJADRN CC(C)(C)c1nnc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001442062751 1066088520 /nfs/dbraw/zinc/08/85/20/1066088520.db2.gz FXDULIJLGRKMID-UHFFFAOYSA-N 0 0 450.564 4.703 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOC(C)C)cnn1C ZINC001360932027 1066088846 /nfs/dbraw/zinc/08/88/46/1066088846.db2.gz CNNSFCLKMHGJSS-KRWDZBQOSA-N 0 0 456.660 4.625 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C(C)(C)C)no2)cnn1C ZINC001360932142 1066089317 /nfs/dbraw/zinc/08/93/17/1066089317.db2.gz HAKCOJRGAOAXIW-UHFFFAOYSA-N 0 0 453.978 4.611 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Br)cc2F)CC1 ZINC001360932188 1066089466 /nfs/dbraw/zinc/08/94/66/1066089466.db2.gz AKJZSPNKXSQSIU-AWEZNQCLSA-N 0 0 455.755 4.526 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1([S@@](C)=O)CCC1 ZINC001360932613 1066090085 /nfs/dbraw/zinc/09/00/85/1066090085.db2.gz OXUHKOLPCZCPFQ-SSEXGKCCSA-N 0 0 495.418 4.686 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCCCO ZINC001360932711 1066090197 /nfs/dbraw/zinc/09/01/97/1066090197.db2.gz QPJWEWNMENWBGE-HNNXBMFYSA-N 0 0 477.725 4.648 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(F)cn1 ZINC001360932662 1066090275 /nfs/dbraw/zinc/09/02/75/1066090275.db2.gz PPQMVCCOKOFEDO-UHFFFAOYSA-N 0 0 460.485 4.530 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC(C)C ZINC001360932463 1066090314 /nfs/dbraw/zinc/09/03/14/1066090314.db2.gz NJUJOYCWFMXRDG-UHFFFAOYSA-N 0 0 450.381 4.636 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@](C)(O)c1ccccc1 ZINC001360932908 1066090530 /nfs/dbraw/zinc/09/05/30/1066090530.db2.gz UMEVGBBFHWINSU-QHCPKHFHSA-N 0 0 484.398 4.871 20 0 JJADRN CC(C)COc1ccccc1CNC(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 ZINC001442078594 1066090646 /nfs/dbraw/zinc/09/06/46/1066090646.db2.gz JEJFRBMUCFBPMC-UHFFFAOYSA-N 0 0 456.583 4.897 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001442078963 1066090748 /nfs/dbraw/zinc/09/07/48/1066090748.db2.gz UVPRJIWXBMXLOG-UHFFFAOYSA-N 0 0 455.917 4.828 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSC(C)C ZINC001360932938 1066090966 /nfs/dbraw/zinc/09/09/66/1066090966.db2.gz VLMKZBCNGUAXIT-UHFFFAOYSA-N 0 0 455.451 4.579 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C ZINC001442081536 1066091151 /nfs/dbraw/zinc/09/11/51/1066091151.db2.gz AVSCTNJGDIGUNB-SFHVURJKSA-N 0 0 454.615 4.716 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)cc1)C1CCCCC1 ZINC001442081794 1066091195 /nfs/dbraw/zinc/09/11/95/1066091195.db2.gz DDFXORSUWWTTSM-UHFFFAOYSA-N 0 0 455.555 4.961 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@@H]3CCCCO3)c2)cc1 ZINC001442083407 1066091594 /nfs/dbraw/zinc/09/15/94/1066091594.db2.gz JJKLDSGMNBPUCF-QFIPXVFZSA-N 0 0 458.624 4.780 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H]3CCCCO3)c2)cc1 ZINC001442083402 1066091625 /nfs/dbraw/zinc/09/16/25/1066091625.db2.gz JJKLDSGMNBPUCF-JOCHJYFZSA-N 0 0 458.624 4.780 20 0 JJADRN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001442092031 1066092351 /nfs/dbraw/zinc/09/23/51/1066092351.db2.gz JFUDCZKQQAMMEW-AUFPJITRSA-N 0 0 457.574 4.734 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1CCCCO1 ZINC001442086826 1066092361 /nfs/dbraw/zinc/09/23/61/1066092361.db2.gz XCKUVYFFWNRJIE-DFBJGRDBSA-N 0 0 450.579 4.577 20 0 JJADRN COCc1nc2sc(C(=O)N[C@H](C)COc3ccc(C(C)(C)C)cc3)c(C)c2c(OC)n1 ZINC001442092101 1066092555 /nfs/dbraw/zinc/09/25/55/1066092555.db2.gz JVRPTCHXICLCOP-CQSZACIVSA-N 0 0 457.596 4.650 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N(C)C)nc1 ZINC001360934632 1066092948 /nfs/dbraw/zinc/09/29/48/1066092948.db2.gz GLVXIQNUJWDKGO-UHFFFAOYSA-N 0 0 454.937 4.785 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC(F)(F)C2)cnn1C ZINC001360934720 1066093304 /nfs/dbraw/zinc/09/33/04/1066093304.db2.gz JGPMBVBQPUOACM-CQSZACIVSA-N 0 0 452.912 4.851 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)cc2s1 ZINC001442103987 1066093263 /nfs/dbraw/zinc/09/32/63/1066093263.db2.gz KFUHCJAEFXBWJO-MRXNPFEDSA-N 0 0 451.470 4.596 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)cnn1C ZINC001360934780 1066093566 /nfs/dbraw/zinc/09/35/66/1066093566.db2.gz LOONLGDUJQLRRA-KNQAVFIVSA-N 0 0 457.022 4.728 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCO1 ZINC001360934858 1066093613 /nfs/dbraw/zinc/09/36/13/1066093613.db2.gz OWKQLHXOYIILAN-HNNXBMFYSA-N 0 0 480.407 4.817 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)O ZINC001360934876 1066093895 /nfs/dbraw/zinc/09/38/95/1066093895.db2.gz PMTRARQCWXDFIC-UHFFFAOYSA-N 0 0 453.768 4.670 20 0 JJADRN CCc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1Br ZINC001442107418 1066094239 /nfs/dbraw/zinc/09/42/39/1066094239.db2.gz MLCHGIQPZVSMSI-SFHVURJKSA-N 0 0 453.174 4.988 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001442109608 1066094281 /nfs/dbraw/zinc/09/42/81/1066094281.db2.gz XPGFRNVKPGCLLU-UHFFFAOYSA-N 0 0 454.933 4.849 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cnn1C ZINC001360935240 1066094697 /nfs/dbraw/zinc/09/46/97/1066094697.db2.gz YHSGFTSVAMNAHL-WOJBJXKFSA-N 0 0 486.064 4.902 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1(=O)=O ZINC001360935272 1066094841 /nfs/dbraw/zinc/09/48/41/1066094841.db2.gz ZSWXESXHRVARRZ-KRWDZBQOSA-N 0 0 483.421 4.757 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1CCNC(=O)OC(C)(C)C ZINC001360935519 1066095193 /nfs/dbraw/zinc/09/51/93/1066095193.db2.gz NCOLDCOEMBUNED-UHFFFAOYSA-N 0 0 463.007 4.525 20 0 JJADRN COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc(OC)c1OC(F)F ZINC001360936036 1066095977 /nfs/dbraw/zinc/09/59/77/1066095977.db2.gz HFGDNEJXYYKWQN-UHFFFAOYSA-N 0 0 458.914 4.764 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cn2ccc(Br)cc2n1 ZINC001360936069 1066095991 /nfs/dbraw/zinc/09/59/91/1066095991.db2.gz IMCLVAVEELRGQY-UHFFFAOYSA-N 0 0 451.777 4.556 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)n1 ZINC001360936324 1066096286 /nfs/dbraw/zinc/09/62/86/1066096286.db2.gz TZFXEBWVCAZNTH-UHFFFAOYSA-N 0 0 457.825 4.860 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccn2C)n1CCc1ccc(Br)cc1 ZINC001360936660 1066096297 /nfs/dbraw/zinc/09/62/97/1066096297.db2.gz DGVQOCHTEKLQDH-UHFFFAOYSA-N 0 0 471.428 4.690 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)n1 ZINC001360936365 1066096392 /nfs/dbraw/zinc/09/63/92/1066096392.db2.gz VSZYZHQYISZBKJ-UHFFFAOYSA-N 0 0 455.809 4.821 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccnc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360937188 1066096467 /nfs/dbraw/zinc/09/64/67/1066096467.db2.gz MERDPGVUFHSYCE-UHFFFAOYSA-N 0 0 453.641 4.738 20 0 JJADRN CCN(C(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21)C1CCC1 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COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)c1 ZINC001442230254 1066105059 /nfs/dbraw/zinc/10/50/59/1066105059.db2.gz DRPNETFYUCMXCS-NRFANRHFSA-N 0 0 450.539 4.907 20 0 JJADRN CN(C)Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)o1 ZINC001442238317 1066106550 /nfs/dbraw/zinc/10/65/50/1066106550.db2.gz YYVUABRRQREESM-UHFFFAOYSA-N 0 0 452.986 4.569 20 0 JJADRN COCCCCN(Cc1ccccc1)C(=O)c1cc(Cl)c(Br)c(OC)c1N ZINC001442236998 1066106593 /nfs/dbraw/zinc/10/65/93/1066106593.db2.gz ZNHPUJJQSRLHTD-UHFFFAOYSA-N 0 0 455.780 4.762 20 0 JJADRN O=C(NCCSCc1cccc2ccccc21)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001442237652 1066106648 /nfs/dbraw/zinc/10/66/48/1066106648.db2.gz XGZJIMJOWONXOP-UHFFFAOYSA-N 0 0 453.507 4.797 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CCCO1 ZINC001360949829 1066106749 /nfs/dbraw/zinc/10/67/49/1066106749.db2.gz UZZIDSGTSAHOAT-OAQYLSRUSA-N 0 0 492.443 4.590 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2CC(F)(F)C2)cnn1C ZINC001360949728 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Cc1c2cc(F)ccc2oc1Cn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001360952289 1066109773 /nfs/dbraw/zinc/10/97/73/1066109773.db2.gz BOBADIQISXDVOH-UHFFFAOYSA-N 0 0 457.550 4.558 20 0 JJADRN Cc1ccsc1Cn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001360952456 1066109781 /nfs/dbraw/zinc/10/97/81/1066109781.db2.gz GFZOVNUJUMNNLH-UHFFFAOYSA-N 0 0 461.994 4.575 20 0 JJADRN Cc1ccoc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccsc1 ZINC001360953640 1066110298 /nfs/dbraw/zinc/11/02/98/1066110298.db2.gz NHVOTVAEZOVXPN-UHFFFAOYSA-N 0 0 455.971 4.509 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC001442266350 1066110696 /nfs/dbraw/zinc/11/06/96/1066110696.db2.gz QPEPUIDRVSOERY-QGZVFWFLSA-N 0 0 450.760 4.918 20 0 JJADRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)s1 ZINC001442268270 1066110842 /nfs/dbraw/zinc/11/08/42/1066110842.db2.gz YJMIGQMAXZYUHF-SUMWQHHRSA-N 0 0 453.377 4.830 20 0 JJADRN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001360954245 1066111032 /nfs/dbraw/zinc/11/10/32/1066111032.db2.gz PIHVLIZETMEIMM-UHFFFAOYSA-N 0 0 453.944 4.883 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cncc(OCC(F)F)c1)CCO2 ZINC001360955474 1066111450 /nfs/dbraw/zinc/11/14/50/1066111450.db2.gz SASSVDSQIOLFRA-JOCHJYFZSA-N 0 0 454.473 4.900 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)c3ccn(-c4c(F)cccc4F)n3)cc2)n1 ZINC001360955706 1066111956 /nfs/dbraw/zinc/11/19/56/1066111956.db2.gz BOXHEQBCCCHIRP-UHFFFAOYSA-N 0 0 454.433 4.629 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360955682 1066111999 /nfs/dbraw/zinc/11/19/99/1066111999.db2.gz GXUZKPVRDUCZOZ-RBUKOAKNSA-N 0 0 486.016 4.714 20 0 JJADRN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2cccc(Cl)c2)on1 ZINC001442294367 1066112348 /nfs/dbraw/zinc/11/23/48/1066112348.db2.gz GQYSMEKURAUAPH-UHFFFAOYSA-N 0 0 459.377 4.591 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccnc(NC(=O)C(C)C)c1)CCO2 ZINC001360955805 1066112499 /nfs/dbraw/zinc/11/24/99/1066112499.db2.gz WISZYMMLWJVQQC-QHCPKHFHSA-N 0 0 459.546 4.851 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)cc1OC ZINC001360955948 1066112505 /nfs/dbraw/zinc/11/25/05/1066112505.db2.gz GDUDCOOPQUWMAL-MRXNPFEDSA-N 0 0 454.523 4.748 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)c3ccn(-c4cc(F)cc(F)c4)n3)cc2)n1 ZINC001360955741 1066112569 /nfs/dbraw/zinc/11/25/69/1066112569.db2.gz CJNIWWNQJUICKC-UHFFFAOYSA-N 0 0 454.433 4.629 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001360956030 1066112588 /nfs/dbraw/zinc/11/25/88/1066112588.db2.gz HSYFLCFJDQARHI-WNYOCNMUSA-N 0 0 458.990 4.845 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001442298795 1066112879 /nfs/dbraw/zinc/11/28/79/1066112879.db2.gz PDXZXROTBGCTFR-OTWHNJEPSA-N 0 0 451.405 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC001442299137 1066112901 /nfs/dbraw/zinc/11/29/01/1066112901.db2.gz XGHGHNFRRLPHCT-GGAORHGYSA-N 0 0 452.551 4.717 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001442297902 1066113009 /nfs/dbraw/zinc/11/30/09/1066113009.db2.gz SDEQTKOLJGGQEP-QGZVFWFLSA-N 0 0 452.451 4.803 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360956800 1066113578 /nfs/dbraw/zinc/11/35/78/1066113578.db2.gz QMXUBLKEACRQMQ-ZIAGYGMSSA-N 0 0 468.961 4.761 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360956798 1066113600 /nfs/dbraw/zinc/11/36/00/1066113600.db2.gz QMXUBLKEACRQMQ-KGLIPLIRSA-N 0 0 468.961 4.761 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CCCO)CC1 ZINC001360957250 1066114045 /nfs/dbraw/zinc/11/40/45/1066114045.db2.gz XQIRHDWGZVGAOS-OAQYLSRUSA-N 0 0 452.599 4.974 20 0 JJADRN Cc1sc(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)nc1-c1ccc2c(c1)CCC2 ZINC001360957917 1066114642 /nfs/dbraw/zinc/11/46/42/1066114642.db2.gz SYGGTPRJZDAZJW-OAQYLSRUSA-N 0 0 454.617 4.764 20 0 JJADRN Cc1c(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(F)(F)F)cnn1CC(C)C ZINC001360958286 1066115137 /nfs/dbraw/zinc/11/51/37/1066115137.db2.gz KVBPAEWDGBPYSG-UHFFFAOYSA-N 0 0 472.519 4.543 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001360959523 1066116822 /nfs/dbraw/zinc/11/68/22/1066116822.db2.gz FXWYNWOCXNECEA-STQMWFEESA-N 0 0 453.431 4.801 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001360959522 1066116831 /nfs/dbraw/zinc/11/68/31/1066116831.db2.gz FXWYNWOCXNECEA-CHWSQXEVSA-N 0 0 453.431 4.801 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360960183 1066118622 /nfs/dbraw/zinc/11/86/22/1066118622.db2.gz DDIJQUJUUQMSEI-UHFFFAOYSA-N 0 0 490.818 4.601 20 0 JJADRN Cc1c(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cnn1C ZINC001360960425 1066119065 /nfs/dbraw/zinc/11/90/65/1066119065.db2.gz MAQZJUHNACOWAK-UXHICEINSA-N 0 0 450.631 4.943 20 0 JJADRN Cc1c(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)CCC(F)(F)F)cnn1C ZINC001360960420 1066119082 /nfs/dbraw/zinc/11/90/82/1066119082.db2.gz LYDVSLLNLIDQON-UHFFFAOYSA-N 0 0 464.536 4.849 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)cnn1CC(C)C ZINC001360960490 1066119670 /nfs/dbraw/zinc/11/96/70/1066119670.db2.gz NSLAEJDUUWIHQC-UHFFFAOYSA-N 0 0 481.954 4.981 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)Cc1cscn1 ZINC001360960550 1066119752 /nfs/dbraw/zinc/11/97/52/1066119752.db2.gz QBNZZRXCEINQOL-UHFFFAOYSA-N 0 0 469.640 4.671 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC001442358625 1066119829 /nfs/dbraw/zinc/11/98/29/1066119829.db2.gz OFFDKWOPPOXCFH-GOSISDBHSA-N 0 0 459.502 4.883 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001442371016 1066120833 /nfs/dbraw/zinc/12/08/33/1066120833.db2.gz DSFRAJVMTQCTIN-BSRJHKFKSA-N 0 0 458.002 4.737 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC001442370713 1066120922 /nfs/dbraw/zinc/12/09/22/1066120922.db2.gz CIOCKWHDDJJIRH-PMACEKPBSA-N 0 0 450.608 4.834 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)OCc3csc(-c4ccc(OC)cc4)n3)CC2=O)cc1 ZINC001360961478 1066121109 /nfs/dbraw/zinc/12/11/09/1066121109.db2.gz KUWWJMBJNUVOPV-IBGZPJMESA-N 0 0 450.560 4.868 20 0 JJADRN C[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Oc1ccccc1Cl ZINC001360961890 1066121153 /nfs/dbraw/zinc/12/11/53/1066121153.db2.gz RFPQGPRTFWOMRB-HNNXBMFYSA-N 0 0 456.391 4.664 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c2ccccc2O1 ZINC001360962291 1066121726 /nfs/dbraw/zinc/12/17/26/1066121726.db2.gz YYEDIIZUXORMFX-JXHRLWIKSA-N 0 0 454.567 4.689 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386055 1066122089 /nfs/dbraw/zinc/12/20/89/1066122089.db2.gz FRDMYOHIMIQGKH-LEWJYISDSA-N 0 0 458.505 4.829 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC001442387419 1066122585 /nfs/dbraw/zinc/12/25/85/1066122585.db2.gz ADZHNPRGRRMUED-SFHVURJKSA-N 0 0 455.393 4.672 20 0 JJADRN C[C@@H]1CN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)O1 ZINC001442392280 1066123008 /nfs/dbraw/zinc/12/30/08/1066123008.db2.gz DHRIUOWYPSOYBD-LJQANCHMSA-N 0 0 450.579 4.721 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCCOCC2CCOCC2)c1 ZINC001360964388 1066123340 /nfs/dbraw/zinc/12/33/40/1066123340.db2.gz PMVBTJLTXPOUQK-UHFFFAOYSA-N 0 0 451.542 4.550 20 0 JJADRN C[C@@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360964403 1066123438 /nfs/dbraw/zinc/12/34/38/1066123438.db2.gz PVYHONZGKIUACI-VGSWGCGISA-N 0 0 458.389 4.803 20 0 JJADRN CCCN(C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H](C)c1ccccc1OC ZINC001442394312 1066123706 /nfs/dbraw/zinc/12/37/06/1066123706.db2.gz IHNUANPBDKFECJ-MRXNPFEDSA-N 0 0 457.514 4.574 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)Cc3ccc(Br)cc3O)cc2s1 ZINC001442398849 1066124126 /nfs/dbraw/zinc/12/41/26/1066124126.db2.gz ABFGUYOUDKRYQE-UHFFFAOYSA-N 0 0 450.314 4.514 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1C ZINC001442398729 1066124155 /nfs/dbraw/zinc/12/41/55/1066124155.db2.gz UFWWXGSKXAVKOP-QHCPKHFHSA-N 0 0 451.364 4.702 20 0 JJADRN COc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)ccc1OCCC(C)C ZINC001442401566 1066124700 /nfs/dbraw/zinc/12/47/00/1066124700.db2.gz IBXNLLACGFHALV-UHFFFAOYSA-N 0 0 459.656 4.832 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cs1 ZINC001442400929 1066124709 /nfs/dbraw/zinc/12/47/09/1066124709.db2.gz DPAXUKGIFNNTQA-GOSISDBHSA-N 0 0 456.439 4.515 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967537 1066125093 /nfs/dbraw/zinc/12/50/93/1066125093.db2.gz OHXZRNBHVMWQGN-KNQAVFIVSA-N 0 0 499.704 4.884 20 0 JJADRN COc1cc(C2(C(=O)N3CCN(Cc4csc(C(C)(C)C)n4)CC3)CCCC2)ccc1C ZINC001442402342 1066125277 /nfs/dbraw/zinc/12/52/77/1066125277.db2.gz MCTXZHRQKRTCEP-UHFFFAOYSA-N 0 0 455.668 4.914 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)cnn1C ZINC001360968166 1066125670 /nfs/dbraw/zinc/12/56/70/1066125670.db2.gz VOBPSCDUIKTHRE-UHFFFAOYSA-N 0 0 450.484 4.820 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001442407564 1066125726 /nfs/dbraw/zinc/12/57/26/1066125726.db2.gz CQBIRWLFSYIVIJ-UHFFFAOYSA-N 0 0 456.518 4.644 20 0 JJADRN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001442413453 1066126315 /nfs/dbraw/zinc/12/63/15/1066126315.db2.gz NOCCCAIQMSJABN-LJQANCHMSA-N 0 0 457.640 4.827 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1S(N)(=O)=O ZINC001442420916 1066126743 /nfs/dbraw/zinc/12/67/43/1066126743.db2.gz ZMJKMDORGBWSJZ-UHFFFAOYSA-N 0 0 450.438 4.706 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001360970492 1066126987 /nfs/dbraw/zinc/12/69/87/1066126987.db2.gz LRSWETRULSPFLJ-UHFFFAOYSA-N 0 0 459.359 4.632 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)Nc2cc(F)ccc2SCC(F)F)cc1 ZINC001360970755 1066126998 /nfs/dbraw/zinc/12/69/98/1066126998.db2.gz PNVHJJKOJRBIFM-UHFFFAOYSA-N 0 0 454.499 4.503 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1F ZINC001360969970 1066127032 /nfs/dbraw/zinc/12/70/32/1066127032.db2.gz BACBBTFEAJSCKB-KNTRCKAVSA-N 0 0 450.554 4.667 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442451128 1066127232 /nfs/dbraw/zinc/12/72/32/1066127232.db2.gz SEWISPIHWDVBPS-UZLBHIALSA-N 0 0 453.574 4.579 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442451121 1066127321 /nfs/dbraw/zinc/12/73/21/1066127321.db2.gz SEWISPIHWDVBPS-OXQOHEQNSA-N 0 0 453.574 4.579 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001360971873 1066128112 /nfs/dbraw/zinc/12/81/12/1066128112.db2.gz IYXJUFPYDZWYAC-UHFFFAOYSA-N 0 0 451.615 4.664 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360972708 1066129185 /nfs/dbraw/zinc/12/91/85/1066129185.db2.gz IQYUUGBHPOOVFE-FQEVSTJZSA-N 0 0 485.629 4.920 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001360973064 1066129723 /nfs/dbraw/zinc/12/97/23/1066129723.db2.gz VUNFYCGGNZPEGX-HXUWFJFHSA-N 0 0 451.640 4.541 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccc(Cl)s2)cnn1C ZINC001360973008 1066129738 /nfs/dbraw/zinc/12/97/38/1066129738.db2.gz UAPWPPXVUZLFSU-UHFFFAOYSA-N 0 0 462.957 4.589 20 0 JJADRN Cc1c(Cn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(Br)s2)cnn1C ZINC001360973366 1066130236 /nfs/dbraw/zinc/13/02/36/1066130236.db2.gz HIPOTPKBPVXYCR-UHFFFAOYSA-N 0 0 485.455 4.614 20 0 JJADRN Cc1ccoc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001360973382 1066130247 /nfs/dbraw/zinc/13/02/47/1066130247.db2.gz ABGMDHGBMDCJHE-UHFFFAOYSA-N 0 0 452.356 4.613 20 0 JJADRN O=C(/C=C/CCc1ccccc1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442476137 1066130352 /nfs/dbraw/zinc/13/03/52/1066130352.db2.gz SLCRRIIAAGGSOV-RIYZIHGNSA-N 0 0 454.570 4.739 20 0 JJADRN COc1c(C)cnc(CN(C)C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1C ZINC001442475342 1066130373 /nfs/dbraw/zinc/13/03/73/1066130373.db2.gz QGFNHHUFEJTJRH-UHFFFAOYSA-N 0 0 450.322 4.853 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@@H](C)COCC(F)(F)F ZINC001442493290 1066130887 /nfs/dbraw/zinc/13/08/87/1066130887.db2.gz RJLDBBDVKKBNTO-JTQLQIEISA-N 0 0 451.308 4.887 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360974479 1066131027 /nfs/dbraw/zinc/13/10/27/1066131027.db2.gz WTUIONKUUUXFSW-YLJYHZDGSA-N 0 0 485.629 4.776 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360974476 1066131042 /nfs/dbraw/zinc/13/10/42/1066131042.db2.gz WTUIONKUUUXFSW-FXAWDEMLSA-N 0 0 485.629 4.776 20 0 JJADRN Cc1c(Cn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360974168 1066131099 /nfs/dbraw/zinc/13/10/99/1066131099.db2.gz ZLZKZIFPVPUVQJ-JOCHJYFZSA-N 0 0 499.704 4.523 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Oc1ccccc1F ZINC001545949608 1066131928 /nfs/dbraw/zinc/13/19/28/1066131928.db2.gz BFZWUTQHYDYKHM-PMACEKPBSA-N 0 0 473.637 4.777 20 0 JJADRN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001442516368 1066132045 /nfs/dbraw/zinc/13/20/45/1066132045.db2.gz BWUHAWSCSYUSGX-UHFFFAOYSA-N 0 0 452.942 4.524 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001360976528 1066132136 /nfs/dbraw/zinc/13/21/36/1066132136.db2.gz JVMNAQVPAQLOPX-SJORKVTESA-N 0 0 454.644 4.988 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(C)c(C)c3)C3CC3)CC2)c(C)c1 ZINC001360976395 1066132187 /nfs/dbraw/zinc/13/21/87/1066132187.db2.gz XOSWTOMVMZQCRI-UHFFFAOYSA-N 0 0 454.636 4.512 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cscn1 ZINC001360976752 1066132653 /nfs/dbraw/zinc/13/26/53/1066132653.db2.gz REXBDACGRDHJMC-UHFFFAOYSA-N 0 0 474.384 4.662 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C2CC2)cnn1CC(C)C ZINC001360976680 1066132706 /nfs/dbraw/zinc/13/27/06/1066132706.db2.gz PNMCAJRJTGECJB-UHFFFAOYSA-N 0 0 450.631 4.962 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 ZINC001360976781 1066132766 /nfs/dbraw/zinc/13/27/66/1066132766.db2.gz TVTDUSGIEZJQIE-UHFFFAOYSA-N 0 0 463.351 4.754 20 0 JJADRN Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)C2CCCCC2)cnn1CC(C)C ZINC001360976773 1066132774 /nfs/dbraw/zinc/13/27/74/1066132774.db2.gz STJMNDQWWHUHLD-IBGZPJMESA-N 0 0 497.713 4.884 20 0 JJADRN Cc1ccsc1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360976884 1066133071 /nfs/dbraw/zinc/13/30/71/1066133071.db2.gz XNYZIACPCTYIOC-IBGZPJMESA-N 0 0 450.530 4.639 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001360977133 1066134200 /nfs/dbraw/zinc/13/42/00/1066134200.db2.gz FMWAUYWIYFNPIF-INIZCTEOSA-N 0 0 483.922 4.533 20 0 JJADRN Cc1csc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1I ZINC001442538057 1066134160 /nfs/dbraw/zinc/13/41/60/1066134160.db2.gz RUPJWBNUTLOSFP-WBVHZDCISA-N 0 0 455.361 4.901 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](CC)Oc1ccccc1F ZINC001545949684 1066134219 /nfs/dbraw/zinc/13/42/19/1066134219.db2.gz CJSNQLCSCWGKAR-CTNGQTDRSA-N 0 0 454.594 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001442542171 1066134733 /nfs/dbraw/zinc/13/47/33/1066134733.db2.gz GSHOTSOFBCQJTA-SFTDATJTSA-N 0 0 452.551 4.905 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cnn1CC(C)C ZINC001360977563 1066135106 /nfs/dbraw/zinc/13/51/06/1066135106.db2.gz UZNGNDHCJQETHO-MOPGFXCFSA-N 0 0 454.594 4.688 20 0 JJADRN C[C@@H]1CN(c2ccnc(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)c2)C[C@H](C)O1 ZINC001442545042 1066135119 /nfs/dbraw/zinc/13/51/19/1066135119.db2.gz RUVWKUBUSWQCLL-NXMSCROESA-N 0 0 451.517 4.687 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cnn1C ZINC001360977616 1066135757 /nfs/dbraw/zinc/13/57/57/1066135757.db2.gz WVZMPTHFWUTEQC-OKILXGFUSA-N 0 0 499.393 4.982 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H](C)c2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978028 1066135761 /nfs/dbraw/zinc/13/57/61/1066135761.db2.gz JNVQCRCTYBAKMF-CRICUBBOSA-N 0 0 455.551 4.637 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360977670 1066135797 /nfs/dbraw/zinc/13/57/97/1066135797.db2.gz YPEAYCLWSWARDG-JOCHJYFZSA-N 0 0 498.933 4.990 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC001360978097 1066135982 /nfs/dbraw/zinc/13/59/82/1066135982.db2.gz LELMCYJHDKGBNT-HYBUGGRVSA-N 0 0 450.604 4.819 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)o1 ZINC001360978585 1066136727 /nfs/dbraw/zinc/13/67/27/1066136727.db2.gz XUYUTIRFIDOFMM-OCUNKTDNSA-N 0 0 455.894 4.656 20 0 JJADRN Cc1ccoc1Cn1c(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360978857 1066137088 /nfs/dbraw/zinc/13/70/88/1066137088.db2.gz DSGPTCSTTOTLAJ-QGZVFWFLSA-N 0 0 481.588 4.996 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CC1)NC(=O)OC(C)(C)C ZINC001545949855 1066137308 /nfs/dbraw/zinc/13/73/08/1066137308.db2.gz GLZATMVICBITOS-MRXNPFEDSA-N 0 0 453.578 4.721 20 0 JJADRN Cc1c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)cnn1CC(C)C ZINC001360979571 1066137536 /nfs/dbraw/zinc/13/75/36/1066137536.db2.gz QEZXANPXCVRIFF-QQURRQIPSA-N 0 0 499.704 4.740 20 0 JJADRN CCCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H](C)C(=O)Nc1ccccc1 ZINC001442556918 1066137835 /nfs/dbraw/zinc/13/78/35/1066137835.db2.gz GDGBBDXXDHJIEJ-CQSZACIVSA-N 0 0 456.896 4.822 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360980656 1066139065 /nfs/dbraw/zinc/13/90/65/1066139065.db2.gz DQDULTHXUJWMKW-SFHVURJKSA-N 0 0 471.005 4.729 20 0 JJADRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(Cl)ccc1I ZINC001360980865 1066139107 /nfs/dbraw/zinc/13/91/07/1066139107.db2.gz DAWLVVDDFALPIO-UHFFFAOYSA-N 0 0 459.686 4.519 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cnn1-c1cc(C)ccc1C ZINC001442570764 1066139493 /nfs/dbraw/zinc/13/94/93/1066139493.db2.gz NYBVOAHIGWAXML-UHFFFAOYSA-N 0 0 452.971 4.983 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442571711 1066139519 /nfs/dbraw/zinc/13/95/19/1066139519.db2.gz MXQUMCJUEVUDKG-INIZCTEOSA-N 0 0 454.995 4.977 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360981163 1066139518 /nfs/dbraw/zinc/13/95/18/1066139518.db2.gz LHBUORUOOBEXNX-QGZVFWFLSA-N 0 0 483.016 4.796 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442573251 1066139652 /nfs/dbraw/zinc/13/96/52/1066139652.db2.gz SKQMVEXMKXQDQA-FLVLSHQESA-N 0 0 452.979 4.897 20 0 JJADRN Cc1cccc(N2N=C(C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CCC2=O)c1 ZINC001360981469 1066140136 /nfs/dbraw/zinc/14/01/36/1066140136.db2.gz OWPAOYLARJVYPW-KRWDZBQOSA-N 0 0 450.539 4.702 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1C ZINC001442575307 1066140299 /nfs/dbraw/zinc/14/02/99/1066140299.db2.gz NVHYNNYUJJXVRH-UHFFFAOYSA-N 0 0 452.576 4.817 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CCOCC2)cc1 ZINC001360981622 1066140649 /nfs/dbraw/zinc/14/06/49/1066140649.db2.gz SJPTVXGRMAUYQP-GOSISDBHSA-N 0 0 454.567 4.968 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)C1 ZINC001442583754 1066140827 /nfs/dbraw/zinc/14/08/27/1066140827.db2.gz AVBIDQDGVXTZDZ-OAQYLSRUSA-N 0 0 454.615 4.874 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c1)OCC(F)(F)F ZINC001442591331 1066141368 /nfs/dbraw/zinc/14/13/68/1066141368.db2.gz GJDRGJOFJOCYJH-UHFFFAOYSA-N 0 0 455.820 4.610 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360982238 1066141543 /nfs/dbraw/zinc/14/15/43/1066141543.db2.gz FRJLNYKCUBDRMB-UHFFFAOYSA-N 0 0 453.377 4.959 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545950140 1066141631 /nfs/dbraw/zinc/14/16/31/1066141631.db2.gz LOTCKMCVBIPFNJ-GHTZIAJQSA-N 0 0 499.656 4.900 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001360982792 1066143063 /nfs/dbraw/zinc/14/30/63/1066143063.db2.gz VKDXBZFTZMAQIM-SJORKVTESA-N 0 0 496.015 4.541 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545950292 1066143167 /nfs/dbraw/zinc/14/31/67/1066143167.db2.gz NSFLWQOYTYQECK-CTNGQTDRSA-N 0 0 459.610 4.913 20 0 JJADRN Cc1nc(CCn2c(N(C)CC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)sc1C ZINC001360983615 1066143861 /nfs/dbraw/zinc/14/38/61/1066143861.db2.gz DBJAVYJDRDIZGH-UHFFFAOYSA-N 0 0 454.644 4.583 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001360983406 1066143877 /nfs/dbraw/zinc/14/38/77/1066143877.db2.gz BNZYMMGLAVNNGT-NRFANRHFSA-N 0 0 484.048 4.932 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1C(F)(F)F ZINC001360983667 1066143899 /nfs/dbraw/zinc/14/38/99/1066143899.db2.gz UUMGGLRURYGEHI-STQMWFEESA-N 0 0 455.274 4.698 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)c3cccn3[C@@H](C)Cc3ccccc3)CC2)cc1 ZINC001442604848 1066143924 /nfs/dbraw/zinc/14/39/24/1066143924.db2.gz AQQSIVVKFXICRU-NRFANRHFSA-N 0 0 459.590 4.725 20 0 JJADRN C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001442605409 1066143990 /nfs/dbraw/zinc/14/39/90/1066143990.db2.gz CKSFFDIQYIQRQN-YJBOKZPZSA-N 0 0 451.405 4.676 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001442612589 1066144981 /nfs/dbraw/zinc/14/49/81/1066144981.db2.gz SXGRRHJHLSJGHF-UFGBVDADSA-N 0 0 455.599 4.736 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001442612582 1066144991 /nfs/dbraw/zinc/14/49/91/1066144991.db2.gz SXGRRHJHLSJGHF-PBVWOCPUSA-N 0 0 455.599 4.736 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C)CC1 ZINC001360984233 1066145245 /nfs/dbraw/zinc/14/52/45/1066145245.db2.gz PXWVZWYFUWJHSQ-IEBWSBKVSA-N 0 0 460.022 4.789 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)C1 ZINC001360984228 1066145283 /nfs/dbraw/zinc/14/52/83/1066145283.db2.gz PWOCKAQVUBIGSA-INIZCTEOSA-N 0 0 462.063 4.943 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1C(C)(C)C ZINC001360984451 1066146169 /nfs/dbraw/zinc/14/61/69/1066146169.db2.gz XHSCJXLXOZDSCA-SFHVURJKSA-N 0 0 483.016 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)[nH]n2)C1 ZINC001442625530 1066146284 /nfs/dbraw/zinc/14/62/84/1066146284.db2.gz RXGVZHLMHSZFHL-AVRDEDQJSA-N 0 0 456.562 4.935 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)OCc1ccc(Br)cc1Cl ZINC001360984662 1066146717 /nfs/dbraw/zinc/14/67/17/1066146717.db2.gz DNANIBOGHIWFTC-UHFFFAOYSA-N 0 0 455.717 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)OCc2ccc(Br)cc2Cl)C1 ZINC001360984914 1066146749 /nfs/dbraw/zinc/14/67/49/1066146749.db2.gz LBDIQEJMIJGZFA-ABAIWWIYSA-N 0 0 450.732 4.741 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ncccc2F)CC1)Oc1ccccc1F ZINC001545950575 1066146944 /nfs/dbraw/zinc/14/69/44/1066146944.db2.gz SBRNKCMGTXAHLC-SFHVURJKSA-N 0 0 471.552 4.980 20 0 JJADRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)C1 ZINC001442655592 1066147510 /nfs/dbraw/zinc/14/75/10/1066147510.db2.gz BXECSJJOICOPCI-PKOBYXMFSA-N 0 0 451.449 4.870 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccccc1N1CCOCC1 ZINC001442657505 1066147516 /nfs/dbraw/zinc/14/75/16/1066147516.db2.gz PPXCFISHLNQGHG-NRFANRHFSA-N 0 0 459.428 4.807 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CCOC1CCCCCC1 ZINC001360985568 1066147771 /nfs/dbraw/zinc/14/77/71/1066147771.db2.gz FRHPWPKDLGNONO-UHFFFAOYSA-N 0 0 476.625 4.771 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CC1CC2(C1)CCOCC2 ZINC001360985541 1066147815 /nfs/dbraw/zinc/14/78/15/1066147815.db2.gz DSBSNNZWGQICSB-UHFFFAOYSA-N 0 0 467.658 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NCCc2c[nH]c3cc(F)ccc23)(c2ccccc2)C1 ZINC001442658938 1066148103 /nfs/dbraw/zinc/14/81/03/1066148103.db2.gz LDHUWIDIHLBLSU-SANMLTNESA-N 0 0 451.542 4.545 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Cc1cccs1 ZINC001360985633 1066148552 /nfs/dbraw/zinc/14/85/52/1066148552.db2.gz HGUXNORKOCBWBX-WIYYLYMNSA-N 0 0 481.666 4.804 20 0 JJADRN CSc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)OCCO2 ZINC001442661375 1066148800 /nfs/dbraw/zinc/14/88/00/1066148800.db2.gz XEKGDBKBDOIRSL-AWEZNQCLSA-N 0 0 459.568 4.545 20 0 JJADRN C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001442665248 1066149505 /nfs/dbraw/zinc/14/95/05/1066149505.db2.gz HZJCPOUWLZXQSD-FZKQIMNGSA-N 0 0 453.174 4.915 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(C)C ZINC001360985972 1066149620 /nfs/dbraw/zinc/14/96/20/1066149620.db2.gz QEYCLDVDARNWIO-HHHXNRCGSA-N 0 0 485.673 4.693 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442668877 1066149915 /nfs/dbraw/zinc/14/99/15/1066149915.db2.gz RCXJTKMNARBRHA-GOSISDBHSA-N 0 0 458.274 4.533 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442668684 1066150028 /nfs/dbraw/zinc/15/00/28/1066150028.db2.gz OXNQZABYHJCCHV-LJQANCHMSA-N 0 0 454.311 4.928 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360986243 1066150329 /nfs/dbraw/zinc/15/03/29/1066150329.db2.gz YICRPKOVWFNHPD-WMZHIEFXSA-N 0 0 476.625 4.627 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442671661 1066150688 /nfs/dbraw/zinc/15/06/88/1066150688.db2.gz RBAVISJFRAKIQC-FPOVZHCZSA-N 0 0 453.631 4.500 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(Cl)s1 ZINC001360986333 1066151426 /nfs/dbraw/zinc/15/14/26/1066151426.db2.gz BAMCSSZVQOZHIV-UHFFFAOYSA-N 0 0 495.052 4.913 20 0 JJADRN CCC1(C)CCN(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001442686513 1066151922 /nfs/dbraw/zinc/15/19/22/1066151922.db2.gz XRHASRWNFDJNDE-UHFFFAOYSA-N 0 0 454.386 4.668 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360986460 1066152002 /nfs/dbraw/zinc/15/20/02/1066152002.db2.gz DIVULVRGYHJQBT-KNQAVFIVSA-N 0 0 487.048 4.899 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CCC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360986370 1066152019 /nfs/dbraw/zinc/15/20/19/1066152019.db2.gz BVERBAPJUYMQBV-SFHVURJKSA-N 0 0 495.089 4.749 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360986462 1066152027 /nfs/dbraw/zinc/15/20/27/1066152027.db2.gz DIVULVRGYHJQBT-UGKGYDQZSA-N 0 0 487.048 4.899 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001360986414 1066152188 /nfs/dbraw/zinc/15/21/88/1066152188.db2.gz CNNJSGINCZZMNY-GHTZIAJQSA-N 0 0 473.021 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)COC1(C)C ZINC001442698570 1066152525 /nfs/dbraw/zinc/15/25/25/1066152525.db2.gz VOLPQPAQYCRBLC-QGPMSJSTSA-N 0 0 456.505 4.830 20 0 JJADRN CC(=O)N(C)c1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001442701957 1066152542 /nfs/dbraw/zinc/15/25/42/1066152542.db2.gz GXSJBRVUBGXOCN-QGZVFWFLSA-N 0 0 457.530 4.535 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC1=CCCOC1 ZINC001360986546 1066152622 /nfs/dbraw/zinc/15/26/22/1066152622.db2.gz GGJCLWLJKAOWFD-UXHICEINSA-N 0 0 475.033 4.898 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1CC[C@H]1CCCCO1 ZINC001360986476 1066152662 /nfs/dbraw/zinc/15/26/62/1066152662.db2.gz DTXVWWZLZLTSFP-OAQYLSRUSA-N 0 0 467.639 4.581 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001442704031 1066153210 /nfs/dbraw/zinc/15/32/10/1066153210.db2.gz GIZTZJIKWGWPKV-OAHLLOKOSA-N 0 0 459.262 4.771 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360986641 1066153634 /nfs/dbraw/zinc/15/36/34/1066153634.db2.gz ITIOSHUUNNZKGC-SFHVURJKSA-N 0 0 495.089 4.892 20 0 JJADRN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1n[nH]cc1Br ZINC001442709020 1066153637 /nfs/dbraw/zinc/15/36/37/1066153637.db2.gz UOCIZRLJLRDNBN-UHFFFAOYSA-N 0 0 459.731 4.557 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360986640 1066153743 /nfs/dbraw/zinc/15/37/43/1066153743.db2.gz ITIOSHUUNNZKGC-GOSISDBHSA-N 0 0 495.089 4.892 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001442709741 1066154138 /nfs/dbraw/zinc/15/41/38/1066154138.db2.gz SPDASCRMZDFTEU-SANMLTNESA-N 0 0 456.558 4.632 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001442712010 1066154786 /nfs/dbraw/zinc/15/47/86/1066154786.db2.gz YLKVHBCDNMLIHI-BVBHFADKSA-N 0 0 479.415 4.909 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360986822 1066155197 /nfs/dbraw/zinc/15/51/97/1066155197.db2.gz MXHJXOCYERZOOZ-OSWQYVSFSA-N 0 0 487.048 4.609 20 0 JJADRN O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC001442720973 1066155349 /nfs/dbraw/zinc/15/53/49/1066155349.db2.gz CURDDKDRDCIKCC-MRXNPFEDSA-N 0 0 450.391 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCOC[C@H]1C ZINC001360986948 1066156012 /nfs/dbraw/zinc/15/60/12/1066156012.db2.gz PZHHVJCZMVHGRH-SFHLNBCPSA-N 0 0 487.048 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)C)n1CC1(C(N)=O)CCCC1 ZINC001360987039 1066156294 /nfs/dbraw/zinc/15/62/94/1066156294.db2.gz RCSJJLDKMDQQPF-GOSISDBHSA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCC2)n1CCNC(=O)c1ccco1 ZINC001360987041 1066156321 /nfs/dbraw/zinc/15/63/21/1066156321.db2.gz RDNRITGZRUUHTQ-GOSISDBHSA-N 0 0 486.016 4.948 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1[C@H]1C[C@@H]1C ZINC001360987075 1066156615 /nfs/dbraw/zinc/15/66/15/1066156615.db2.gz RQXJATVWWGHCBW-TVOLIBFISA-N 0 0 469.051 4.527 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccccn2)n1CCCN1CCOC1=O ZINC001360987096 1066156968 /nfs/dbraw/zinc/15/69/68/1066156968.db2.gz SAKCPCVUXUCISP-LJQANCHMSA-N 0 0 499.015 4.562 20 0 JJADRN CC[C@@H](CNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC001442757785 1066157575 /nfs/dbraw/zinc/15/75/75/1066157575.db2.gz RJGJJSVNNSYINL-QFIPXVFZSA-N 0 0 450.604 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1 ZINC001360987203 1066157636 /nfs/dbraw/zinc/15/76/36/1066157636.db2.gz UREFJUPQZZVODN-ICSRJNTNSA-N 0 0 495.089 4.748 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cs1 ZINC001442761964 1066157843 /nfs/dbraw/zinc/15/78/43/1066157843.db2.gz SJJAOMIKLVVNFI-HXUWFJFHSA-N 0 0 453.612 4.972 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360987279 1066158061 /nfs/dbraw/zinc/15/80/61/1066158061.db2.gz WZNRYDMUSLYRKQ-QAPCUYQASA-N 0 0 481.931 4.737 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccs1 ZINC001360987439 1066158320 /nfs/dbraw/zinc/15/83/20/1066158320.db2.gz XXBMPVDPGCFYAW-NFBKMPQASA-N 0 0 481.666 4.998 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(Cl)c3ncccc23)cc1 ZINC001442764959 1066158603 /nfs/dbraw/zinc/15/86/03/1066158603.db2.gz GLUWLOHRBBNZFJ-UHFFFAOYSA-N 0 0 453.955 4.863 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001442766535 1066158626 /nfs/dbraw/zinc/15/86/26/1066158626.db2.gz OGTYPCQBWMDOFY-UHFFFAOYSA-N 0 0 450.377 4.786 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001360987663 1066158717 /nfs/dbraw/zinc/15/87/17/1066158717.db2.gz HDRBLBOAMAYTQX-UHFFFAOYSA-N 0 0 459.424 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1CCC=CO1 ZINC001360987517 1066158778 /nfs/dbraw/zinc/15/87/78/1066158778.db2.gz ZQAQUXYLOPLFQB-SFHLNBCPSA-N 0 0 461.006 4.854 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3OC)c3ccccc3n2)cc1 ZINC001360987675 1066158827 /nfs/dbraw/zinc/15/88/27/1066158827.db2.gz HJNCPUKXHMKJSF-UHFFFAOYSA-N 0 0 455.514 4.873 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442771122 1066159018 /nfs/dbraw/zinc/15/90/18/1066159018.db2.gz CBEQLFNQPBIDFE-QZTJIDSGSA-N 0 0 455.640 4.516 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001442769725 1066159029 /nfs/dbraw/zinc/15/90/29/1066159029.db2.gz QHQCAHULSQKXRW-DTBYZMGXSA-N 0 0 456.867 4.859 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CC[C@@H](C)C1 ZINC001360989293 1066160080 /nfs/dbraw/zinc/16/00/80/1066160080.db2.gz CEEZZQZUZDAATH-AHRSYUTCSA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1nccn1C(F)F ZINC001360989401 1066161231 /nfs/dbraw/zinc/16/12/31/1066161231.db2.gz DNMTYPIMMOPOFB-IXDOHACOSA-N 0 0 494.974 4.942 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1nccn1C(F)F ZINC001360989402 1066161232 /nfs/dbraw/zinc/16/12/32/1066161232.db2.gz DNMTYPIMMOPOFB-YESZJQIVSA-N 0 0 494.974 4.942 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CC(C)C ZINC001360989479 1066161447 /nfs/dbraw/zinc/16/14/47/1066161447.db2.gz FUNHTHXQZOBKSN-LEWJYISDSA-N 0 0 476.065 4.503 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1CCCC1 ZINC001360989545 1066161865 /nfs/dbraw/zinc/16/18/65/1066161865.db2.gz GXQLIYQXKOBEKT-AZUAARDMSA-N 0 0 474.049 4.970 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1C[C@](C)(O)C(C)C ZINC001360989570 1066162100 /nfs/dbraw/zinc/16/21/00/1066162100.db2.gz HJKRKISBINHAHC-MAUQACMESA-N 0 0 491.076 4.958 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(CC(C)C)C(C)C)n1CCn1cncn1 ZINC001360989565 1066162122 /nfs/dbraw/zinc/16/21/22/1066162122.db2.gz HHOPNVPOYAUXSH-IBGZPJMESA-N 0 0 460.026 4.851 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1C[C@@](C)(O)C(C)C ZINC001360989572 1066162154 /nfs/dbraw/zinc/16/21/54/1066162154.db2.gz HJKRKISBINHAHC-VSCPTIONSA-N 0 0 491.076 4.958 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCSCCCO ZINC001360989758 1066163498 /nfs/dbraw/zinc/16/34/98/1066163498.db2.gz KIZLQTRCOCTIQW-RBUKOAKNSA-N 0 0 497.105 4.808 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCC(=O)N(C)C ZINC001360989730 1066163533 /nfs/dbraw/zinc/16/35/33/1066163533.db2.gz KAHZWNYJBWJYSO-WIYYLYMNSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C)CC2)n1CC(=O)NC(C)C ZINC001360989804 1066163813 /nfs/dbraw/zinc/16/38/13/1066163813.db2.gz KXZNGAIUCXXMPV-VQIMIIECSA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@H](C)N1CCOCC1 ZINC001360989799 1066163818 /nfs/dbraw/zinc/16/38/18/1066163818.db2.gz KXVQADAJKNKMSU-KVJIRVJXSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)(C)CC2)n1CCNC(=O)C1CC1 ZINC001360989810 1066163940 /nfs/dbraw/zinc/16/39/40/1066163940.db2.gz KYZWLYLBZLNIHK-SFHVURJKSA-N 0 0 474.049 4.841 20 0 JJADRN 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Cc1cc([C@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@H](C)[C@@H]2C)c(C)o1 ZINC001360998214 1066177335 /nfs/dbraw/zinc/17/73/35/1066177335.db2.gz XEBMXSSOWRGGRB-KPNPRUKOSA-N 0 0 492.592 4.994 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998227 1066177486 /nfs/dbraw/zinc/17/74/86/1066177486.db2.gz XIUXRVZYGOTECM-BCHFMIIMSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)Cc2ncc(Cl)n2C)c(C)o1 ZINC001360998257 1066177514 /nfs/dbraw/zinc/17/75/14/1066177514.db2.gz XYKPAJRGPQGVTL-QHCPKHFHSA-N 0 0 489.407 4.739 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(C)o1 ZINC001360998480 1066177762 /nfs/dbraw/zinc/17/77/62/1066177762.db2.gz CDJFFQHNLDEESO-AQKDONEWSA-N 0 0 462.516 4.929 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(OC)c(C)c(OC)c2)cc1OC ZINC001360999159 1066177953 /nfs/dbraw/zinc/17/79/53/1066177953.db2.gz ICADRTGQTYJAPY-UHFFFAOYSA-N 0 0 455.576 4.976 20 0 JJADRN 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1066198883 /nfs/dbraw/zinc/19/88/83/1066198883.db2.gz NRWJAMWHJFSJMS-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)CCC(C)C)c(C)c1 ZINC001361014027 1066199603 /nfs/dbraw/zinc/19/96/03/1066199603.db2.gz DJGSXARXOLWGHA-CUNXSJBXSA-N 0 0 485.673 4.707 20 0 JJADRN Cc1ncsc1CCn1c(C2CCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014173 1066200257 /nfs/dbraw/zinc/20/02/57/1066200257.db2.gz JDKJANLZZWTZTP-UHFFFAOYSA-N 0 0 452.628 4.553 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCC3)n2CCSC(F)(F)F)c(C)c1 ZINC001361014168 1066200301 /nfs/dbraw/zinc/20/03/01/1066200301.db2.gz IWBRXZGNJKZZGQ-UHFFFAOYSA-N 0 0 455.550 4.799 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361014539 1066201209 /nfs/dbraw/zinc/20/12/09/1066201209.db2.gz PKMVLKJFCAYFRO-SFTDATJTSA-N 0 0 455.647 4.680 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCc2cccc(C)n2)c(C)c1 ZINC001361014871 1066202206 /nfs/dbraw/zinc/20/22/06/1066202206.db2.gz VKQFXCLXOFFFDW-UHFFFAOYSA-N 0 0 460.626 4.882 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@H]2CCC[C@@H]2C)n1 ZINC001361015480 1066203402 /nfs/dbraw/zinc/20/34/02/1066203402.db2.gz ZOHHNVGLZQMJQK-MBSDFSHPSA-N 0 0 477.657 4.576 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCc3cc(C)cc(C)c3)CC2)sc1C ZINC001361016677 1066204360 /nfs/dbraw/zinc/20/43/60/1066204360.db2.gz FDNAHFXBWYAOKE-UHFFFAOYSA-N 0 0 452.672 4.736 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC001361016506 1066204379 /nfs/dbraw/zinc/20/43/79/1066204379.db2.gz CPLJNOKGZUJYBH-UHFFFAOYSA-N 0 0 468.715 4.730 20 0 JJADRN Cc1cc(C)cc(CCn2c(N3CC(C)(C)OC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361017230 1066205697 /nfs/dbraw/zinc/20/56/97/1066205697.db2.gz MQYSOMRNQBBLEM-MHZLTWQESA-N 0 0 470.658 4.572 20 0 JJADRN Cc1cc(C)cc(CCn2c(Cc3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017185 1066205722 /nfs/dbraw/zinc/20/57/22/1066205722.db2.gz LOGGPDUSGVSMOS-DEOSSOPVSA-N 0 0 490.652 4.569 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361017711 1066206737 /nfs/dbraw/zinc/20/67/37/1066206737.db2.gz AXVGLRLPQCFKPA-UHFFFAOYSA-N 0 0 453.587 4.814 20 0 JJADRN Cc1cc(C)cc(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001361017489 1066206817 /nfs/dbraw/zinc/20/68/17/1066206817.db2.gz UMXJMYXVIFFXLY-IBGZPJMESA-N 0 0 450.530 4.557 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361017708 1066206904 /nfs/dbraw/zinc/20/69/04/1066206904.db2.gz AXTDUONUQSQESJ-NQIIRXRSSA-N 0 0 476.687 4.702 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017645 1066206917 /nfs/dbraw/zinc/20/69/17/1066206917.db2.gz ZDDPAQLMLSEZMF-DNQXCXABSA-N 0 0 497.684 4.867 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC4(CC3)OCCO4)n2CCC(C)(F)F)c1 ZINC001361017867 1066207431 /nfs/dbraw/zinc/20/74/31/1066207431.db2.gz DQXCSJNMZIOMEH-UHFFFAOYSA-N 0 0 464.557 4.641 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC001361018351 1066207981 /nfs/dbraw/zinc/20/79/81/1066207981.db2.gz HCKZKBVPNDMYBX-MGBGTMOVSA-N 0 0 459.571 4.558 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361018983 1066208611 /nfs/dbraw/zinc/20/86/11/1066208611.db2.gz USIHSMDPEQRIJN-FXAWDEMLSA-N 0 0 467.580 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC(=O)NC2CC2)c1 ZINC001361018608 1066208721 /nfs/dbraw/zinc/20/87/21/1066208721.db2.gz QDDUUSHSZPULEL-PGRDOPGGSA-N 0 0 453.631 4.548 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC001361020268 1066209830 /nfs/dbraw/zinc/20/98/30/1066209830.db2.gz SEXRFIGMYJHWRA-NRFANRHFSA-N 0 0 452.913 4.984 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001361020621 1066210480 /nfs/dbraw/zinc/21/04/80/1066210480.db2.gz AULJJPBBQQHNSF-UHFFFAOYSA-N 0 0 486.498 4.755 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361020633 1066210621 /nfs/dbraw/zinc/21/06/21/1066210621.db2.gz BGCYWLXJIVCSGO-KDYSTLNUSA-N 0 0 478.641 4.575 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361020625 1066210635 /nfs/dbraw/zinc/21/06/35/1066210635.db2.gz AYNYHGLOZOCBAD-HXUWFJFHSA-N 0 0 491.558 4.896 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2ncccc2C)c1 ZINC001361020844 1066211781 /nfs/dbraw/zinc/21/17/81/1066211781.db2.gz JYBWKWURNSNBPC-HXUWFJFHSA-N 0 0 462.623 4.922 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)c1nccs1 ZINC001361020808 1066211956 /nfs/dbraw/zinc/21/19/56/1066211956.db2.gz IRUQDOHJNKINPO-GOSISDBHSA-N 0 0 479.654 4.721 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001361020916 1066212318 /nfs/dbraw/zinc/21/23/18/1066212318.db2.gz MTNGGRNHONBAHS-UHFFFAOYSA-N 0 0 480.016 4.557 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccsc3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361020976 1066212574 /nfs/dbraw/zinc/21/25/74/1066212574.db2.gz OUXRYUIIKWHNRP-UHFFFAOYSA-N 0 0 481.666 4.820 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCCC1 ZINC001361021156 1066213811 /nfs/dbraw/zinc/21/38/11/1066213811.db2.gz RPHSCIUMSUDPBT-UHFFFAOYSA-N 0 0 455.628 4.570 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCc2cccnc2)c1 ZINC001361021385 1066214522 /nfs/dbraw/zinc/21/45/22/1066214522.db2.gz WIIMNGPCJWBVBO-HXUWFJFHSA-N 0 0 462.623 4.808 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccsc3)n2CCCN2CCCCC2=O)c1 ZINC001361021543 1066215118 /nfs/dbraw/zinc/21/51/18/1066215118.db2.gz YPEUFOIBTMOTCI-UHFFFAOYSA-N 0 0 467.639 4.574 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361021487 1066215142 /nfs/dbraw/zinc/21/51/42/1066215142.db2.gz XQNKZZKRYBTZPY-UHFFFAOYSA-N 0 0 485.551 4.729 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361022034 1066215708 /nfs/dbraw/zinc/21/57/08/1066215708.db2.gz DGYIJRKXOYXJGQ-AREMUKBSSA-N 0 0 452.599 4.991 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001361022118 1066216284 /nfs/dbraw/zinc/21/62/84/1066216284.db2.gz GUHCSKZRNIXRSQ-CEQLMSFQSA-N 0 0 453.587 4.610 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)no1 ZINC001361022119 1066216370 /nfs/dbraw/zinc/21/63/70/1066216370.db2.gz GUHCSKZRNIXRSQ-OALUTQOASA-N 0 0 453.587 4.610 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCc1nccs1 ZINC001361022154 1066216973 /nfs/dbraw/zinc/21/69/73/1066216973.db2.gz HUWQVBSEZOFNLP-UHFFFAOYSA-N 0 0 468.652 4.617 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3cnccn3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361022345 1066217308 /nfs/dbraw/zinc/21/73/08/1066217308.db2.gz NNNNDQQGZQMQHP-UHFFFAOYSA-N 0 0 462.520 4.531 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361022315 1066217517 /nfs/dbraw/zinc/21/75/17/1066217517.db2.gz MRPOKDGDMZDVMW-DEOSSOPVSA-N 0 0 483.663 4.579 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361022410 1066217993 /nfs/dbraw/zinc/21/79/93/1066217993.db2.gz PUBZHMWJEHILGT-NRFANRHFSA-N 0 0 458.672 4.868 20 0 JJADRN C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023040 1066219317 /nfs/dbraw/zinc/21/93/17/1066219317.db2.gz FPFCGTHNZFDTQP-WAIKUNEKSA-N 0 0 459.970 4.967 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361022692 1066219340 /nfs/dbraw/zinc/21/93/40/1066219340.db2.gz YWFSPHPNQZOMLL-HYBUGGRVSA-N 0 0 469.655 4.670 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361022694 1066219430 /nfs/dbraw/zinc/21/94/30/1066219430.db2.gz YWFSPHPNQZOMLL-YKSBVNFPSA-N 0 0 469.655 4.670 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)nc(C)n1 ZINC001361022730 1066219445 /nfs/dbraw/zinc/21/94/45/1066219445.db2.gz AEBLHRGZNLTJEE-XMMPIXPASA-N 0 0 450.970 4.652 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CCN2CCOC[C@@H]2C)c1 ZINC001361023605 1066219969 /nfs/dbraw/zinc/21/99/69/1066219969.db2.gz BPYHWOWWWUROTC-QFIPXVFZSA-N 0 0 483.682 4.671 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361024015 1066220660 /nfs/dbraw/zinc/22/06/60/1066220660.db2.gz GNAJQZZUCZSSSR-SFTDATJTSA-N 0 0 456.631 4.540 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(OC3CCC3)cc2)c2ccc(F)cc2)c1 ZINC001361024011 1066220841 /nfs/dbraw/zinc/22/08/41/1066220841.db2.gz RXWZQICBFNLQMM-XMMPIXPASA-N 0 0 453.535 4.680 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)O[C@H](C)C2 ZINC001442772563 1066221071 /nfs/dbraw/zinc/22/10/71/1066221071.db2.gz WEFAHXGKUBHEMA-HZPDHXFCSA-N 0 0 455.555 4.774 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442775234 1066221286 /nfs/dbraw/zinc/22/12/86/1066221286.db2.gz IUMLYEUNBCNYBQ-GHTZIAJQSA-N 0 0 453.583 4.702 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001442776355 1066222093 /nfs/dbraw/zinc/22/20/93/1066222093.db2.gz YTMMRINGOWBVQH-FQEVSTJZSA-N 0 0 451.876 4.643 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(OC)c(C)c2)O1 ZINC001546056194 1066222812 /nfs/dbraw/zinc/22/28/12/1066222812.db2.gz CEGIQLCGVFPCTM-OFVILXPXSA-N 0 0 469.655 4.935 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCCC2CCOCC2)c1 ZINC001361024805 1066222770 /nfs/dbraw/zinc/22/27/70/1066222770.db2.gz QFXZPSLKINSPDL-UGKGYDQZSA-N 0 0 496.574 4.837 20 0 JJADRN CCC[C@@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442797854 1066223328 /nfs/dbraw/zinc/22/33/28/1066223328.db2.gz JVTHDYBLZMYOGT-WZONZLPQSA-N 0 0 453.558 4.558 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N(CC(C)C)C2CCCC2)n[nH]1 ZINC001361024857 1066223454 /nfs/dbraw/zinc/22/34/54/1066223454.db2.gz QUGJIZFETWFSJC-UHFFFAOYSA-N 0 0 451.619 4.548 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)C2)c(O)cc1Cl ZINC001453940894 1066223319 /nfs/dbraw/zinc/22/33/19/1066223319.db2.gz BWLJTRRBJNOGFH-INIZCTEOSA-N 0 0 457.036 4.708 20 0 JJADRN CC1(C)C[C@@]1(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC001453940570 1066223365 /nfs/dbraw/zinc/22/33/65/1066223365.db2.gz BRSZMAPNZUBNAS-RUZDIDTESA-N 0 0 452.551 4.724 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)C(C)(C)C ZINC001453942406 1066223913 /nfs/dbraw/zinc/22/39/13/1066223913.db2.gz JYYUCFGLCHQGEZ-INIZCTEOSA-N 0 0 457.384 4.802 20 0 JJADRN C[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ccccn1 ZINC001442802962 1066223926 /nfs/dbraw/zinc/22/39/26/1066223926.db2.gz OCIOIVREMYZDSQ-JLTOFOAXSA-N 0 0 456.315 4.583 20 0 JJADRN CC(C)(CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@]1(O)CCCOC1 ZINC001453945726 1066224006 /nfs/dbraw/zinc/22/40/06/1066224006.db2.gz HEAYXYMGPKVKQU-XMMPIXPASA-N 0 0 456.633 4.886 20 0 JJADRN CC1(C)C[C@@]1(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC001453941335 1066224127 /nfs/dbraw/zinc/22/41/27/1066224127.db2.gz GHGGPMJECGDGPU-RUZDIDTESA-N 0 0 452.551 4.724 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC001361026213 1066225270 /nfs/dbraw/zinc/22/52/70/1066225270.db2.gz BNOXNSWFMODJIS-KMDXXIMOSA-N 0 0 455.526 4.768 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442807562 1066225298 /nfs/dbraw/zinc/22/52/98/1066225298.db2.gz FGZYSZPJQVPYPG-ICSRJNTNSA-N 0 0 458.990 4.523 20 0 JJADRN COc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)cnn1-c1ccccc1 ZINC001361026104 1066225345 /nfs/dbraw/zinc/22/53/45/1066225345.db2.gz YFBYGGHXOYQBDB-UHFFFAOYSA-N 0 0 454.368 4.885 20 0 JJADRN CC(C)COc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026203 1066225495 /nfs/dbraw/zinc/22/54/95/1066225495.db2.gz BLGBAGRZQPHLDT-AREMUKBSSA-N 0 0 451.588 4.573 20 0 JJADRN CCc1ccc([C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026252 1066225588 /nfs/dbraw/zinc/22/55/88/1066225588.db2.gz CCNDXCBRWQQICD-CPJLOUKISA-N 0 0 454.592 4.657 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545952140 1066226991 /nfs/dbraw/zinc/22/69/91/1066226991.db2.gz HXXIGPRCPSGJES-WBVHZDCISA-N 0 0 483.535 4.706 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)cc1C ZINC001442821347 1066227076 /nfs/dbraw/zinc/22/70/76/1066227076.db2.gz YREUYSAAUVEQNB-FQEVSTJZSA-N 0 0 452.576 4.642 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)OC ZINC001545952133 1066227196 /nfs/dbraw/zinc/22/71/96/1066227196.db2.gz HXRTXHQGBLFMMZ-KVSKMBFKSA-N 0 0 474.499 4.530 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545952138 1066227209 /nfs/dbraw/zinc/22/72/09/1066227209.db2.gz HXXIGPRCPSGJES-NVXWUHKLSA-N 0 0 483.535 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c1 ZINC001442828026 1066227684 /nfs/dbraw/zinc/22/76/84/1066227684.db2.gz ZVYXWDYSPONFJE-ACIOBRDBSA-N 0 0 480.561 4.691 20 0 JJADRN O=C(Cc1ccc(Br)cc1F)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001453971764 1066227835 /nfs/dbraw/zinc/22/78/35/1066227835.db2.gz LSZUUHWQYAFAND-UHFFFAOYSA-N 0 0 450.352 4.653 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001545952241 1066228306 /nfs/dbraw/zinc/22/83/06/1066228306.db2.gz JDFNZYBNLIYCRI-BAGYTPMASA-N 0 0 470.593 4.637 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@@H](C(C)C)C2)O1 ZINC001546056547 1066228319 /nfs/dbraw/zinc/22/83/19/1066228319.db2.gz HCCVPDXZBZDVPW-TZBSWOFLSA-N 0 0 474.671 4.791 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2Cc2ccc(Cl)nc2)c1 ZINC001361027191 1066228780 /nfs/dbraw/zinc/22/87/80/1066228780.db2.gz LOKJQAXIHMVIAJ-UHFFFAOYSA-N 0 0 470.017 4.560 20 0 JJADRN CCCc1c(C(=O)Nc2cc(NS(=O)(=O)CCC)c(F)cc2F)cnn1C1CCCC1 ZINC001442833416 1066228965 /nfs/dbraw/zinc/22/89/65/1066228965.db2.gz DTRKMWPXEQSNNQ-UHFFFAOYSA-N 0 0 454.543 4.633 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ncsc2Nc2ccccc2)cc1 ZINC001442833907 1066229208 /nfs/dbraw/zinc/22/92/08/1066229208.db2.gz FDQDSWPLKVOIFQ-UHFFFAOYSA-N 0 0 452.580 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)NCC(C)(C)CC(F)(F)F)CC1 ZINC001453981134 1066229303 /nfs/dbraw/zinc/22/93/03/1066229303.db2.gz CSKDJKVYEPTDGF-UHFFFAOYSA-N 0 0 457.537 4.963 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@](C)(O)C2CC2)c1 ZINC001361027404 1066229497 /nfs/dbraw/zinc/22/94/97/1066229497.db2.gz NQMIASSFORKHRV-QHCPKHFHSA-N 0 0 466.548 4.804 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361027709 1066230603 /nfs/dbraw/zinc/23/06/03/1066230603.db2.gz RFAOJJFAOHFPSF-ZWKOTPCHSA-N 0 0 472.527 4.873 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001442844948 1066230637 /nfs/dbraw/zinc/23/06/37/1066230637.db2.gz XEXVXYJSPCHFLZ-YPKPFQOOSA-N 0 0 457.534 4.584 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](CCOC)C2)O1 ZINC001546057029 1066230704 /nfs/dbraw/zinc/23/07/04/1066230704.db2.gz NCNVBQZFHDLYDF-VIICAESSSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2CC2(C)C)c1 ZINC001361027771 1066231155 /nfs/dbraw/zinc/23/11/55/1066231155.db2.gz CSHVNRRYFMALOG-JOCHJYFZSA-N 0 0 467.658 4.603 20 0 JJADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC001442853610 1066231240 /nfs/dbraw/zinc/23/12/40/1066231240.db2.gz ABFDGCCDRBCMBX-UHFFFAOYSA-N 0 0 459.388 4.711 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(OC)C2)O1 ZINC001546057225 1066231736 /nfs/dbraw/zinc/23/17/36/1066231736.db2.gz OVNOYPWGEPIDIP-PXDATVDWSA-N 0 0 456.631 4.727 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1Br ZINC001453998079 1066231815 /nfs/dbraw/zinc/23/18/15/1066231815.db2.gz FFIZMPKKLSDABM-SGTLLEGYSA-N 0 0 455.190 4.668 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)O1 ZINC001546057296 1066232066 /nfs/dbraw/zinc/23/20/66/1066232066.db2.gz PTQCENSKYDCASI-LPHOPBHVSA-N 0 0 491.352 4.966 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ncoc3-c3ccccc3Cl)C2)cc1 ZINC001442856191 1066232150 /nfs/dbraw/zinc/23/21/50/1066232150.db2.gz AICITCCMYUATAM-KRWDZBQOSA-N 0 0 452.942 4.977 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCc3c(Br)cccc3C2)c1C(F)F ZINC001442856072 1066232346 /nfs/dbraw/zinc/23/23/46/1066232346.db2.gz DBMPWPOYTNURNL-UHFFFAOYSA-N 0 0 452.221 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2C1 ZINC001454001564 1066232565 /nfs/dbraw/zinc/23/25/65/1066232565.db2.gz BHMMAMCYDMXFJP-UHFFFAOYSA-N 0 0 454.542 4.898 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)c1 ZINC001361028341 1066232691 /nfs/dbraw/zinc/23/26/91/1066232691.db2.gz YDVFDNGTARJPLM-UHFFFAOYSA-N 0 0 495.624 4.856 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001454005649 1066232871 /nfs/dbraw/zinc/23/28/71/1066232871.db2.gz LIODPBCHEQPRMY-UHFFFAOYSA-N 0 0 456.739 4.828 20 0 JJADRN O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454009268 1066233353 /nfs/dbraw/zinc/23/33/53/1066233353.db2.gz AASMKKFZLSRHDE-FQEVSTJZSA-N 0 0 451.489 4.651 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC001454007039 1066233536 /nfs/dbraw/zinc/23/35/36/1066233536.db2.gz JUKATOBNNVUUPL-KRWDZBQOSA-N 0 0 454.596 4.612 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC001454009265 1066233613 /nfs/dbraw/zinc/23/36/13/1066233613.db2.gz JTVBIJHXVUCREX-AWEZNQCLSA-N 0 0 450.530 4.569 20 0 JJADRN CCCC(=O)NC[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442865933 1066233493 /nfs/dbraw/zinc/23/34/93/1066233493.db2.gz DTSOTEFHHCQWRX-OAHLLOKOSA-N 0 0 450.366 4.949 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001454010798 1066233993 /nfs/dbraw/zinc/23/39/93/1066233993.db2.gz NGRNRRDHMJXRKO-ZDUSSCGKSA-N 0 0 451.976 4.639 20 0 JJADRN C[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442867442 1066234491 /nfs/dbraw/zinc/23/44/91/1066234491.db2.gz ROXFAACRSPZOGH-WBVHZDCISA-N 0 0 453.505 4.969 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361028748 1066234888 /nfs/dbraw/zinc/23/48/88/1066234888.db2.gz QENYYEMKEVYRDM-IAGOWNOFSA-N 0 0 474.581 4.580 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CCC1 ZINC001442870570 1066235210 /nfs/dbraw/zinc/23/52/10/1066235210.db2.gz USXFFDFTDLTFCA-UHFFFAOYSA-N 0 0 452.555 4.736 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442871374 1066235404 /nfs/dbraw/zinc/23/54/04/1066235404.db2.gz FZFPFQZWYJSMAQ-SFHVURJKSA-N 0 0 453.583 4.811 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CCC2CCN(CC(F)(F)F)CC2)c1 ZINC001361028890 1066235349 /nfs/dbraw/zinc/23/53/49/1066235349.db2.gz ULQYSXGSVDDLQA-UHFFFAOYSA-N 0 0 477.575 4.905 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)c(C)o1 ZINC001361029044 1066235914 /nfs/dbraw/zinc/23/59/14/1066235914.db2.gz XRYROTGKWGHIOT-DCFHFQCYSA-N 0 0 482.625 4.595 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC001361029046 1066236024 /nfs/dbraw/zinc/23/60/24/1066236024.db2.gz XRYROTGKWGHIOT-NFQMXDRXSA-N 0 0 482.625 4.595 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC001361029574 1066236664 /nfs/dbraw/zinc/23/66/64/1066236664.db2.gz NSLISYRVOPRPJB-HXUWFJFHSA-N 0 0 452.595 4.667 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)C2(c3cc(F)cc(F)c3)CCCC2)ccc1Br ZINC001361029179 1066236676 /nfs/dbraw/zinc/23/66/76/1066236676.db2.gz AZTBGIWHWKTGLB-UHFFFAOYSA-N 0 0 451.311 4.602 20 0 JJADRN O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454023475 1066236856 /nfs/dbraw/zinc/23/68/56/1066236856.db2.gz UGXKMUCMFQXMTJ-UHFFFAOYSA-N 0 0 456.553 4.563 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001442884445 1066237069 /nfs/dbraw/zinc/23/70/69/1066237069.db2.gz XFQMIZAQVFKGDK-IFMALSPDSA-N 0 0 452.517 4.565 20 0 JJADRN CCC(CC)(NC(=O)CS(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001442881085 1066237314 /nfs/dbraw/zinc/23/73/14/1066237314.db2.gz OVALPBMTLXJQCK-UHFFFAOYSA-N 0 0 458.805 4.708 20 0 JJADRN C/C(=C/C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1C(F)(F)F ZINC001361029625 1066237293 /nfs/dbraw/zinc/23/72/93/1066237293.db2.gz PFLTXOAPTMXLRH-BENRWUELSA-N 0 0 455.274 4.935 20 0 JJADRN CCCCOCCN(C(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccc(Br)cc1 ZINC001361029747 1066237450 /nfs/dbraw/zinc/23/74/50/1066237450.db2.gz BRAFXGWMGKTSMB-INIZCTEOSA-N 0 0 450.421 4.828 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546056898 1066238010 /nfs/dbraw/zinc/23/80/10/1066238010.db2.gz LECIVWCBHGDUEA-BAEUJYSMSA-N 0 0 474.621 4.985 20 0 JJADRN CSc1ccc(O)c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001454039259 1066238232 /nfs/dbraw/zinc/23/82/32/1066238232.db2.gz RUICRYPUIWCOSS-UHFFFAOYSA-N 0 0 457.187 4.838 20 0 JJADRN Cc1ccccc1C1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCCCC1 ZINC001442909010 1066238472 /nfs/dbraw/zinc/23/84/72/1066238472.db2.gz MVTMWPUOYJHVHW-XMMPIXPASA-N 0 0 454.636 4.557 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361031063 1066239348 /nfs/dbraw/zinc/23/93/48/1066239348.db2.gz GQFWQOQLOIMMTE-DEOSSOPVSA-N 0 0 489.458 4.904 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001442910917 1066239411 /nfs/dbraw/zinc/23/94/11/1066239411.db2.gz QXUSCJWYLULSDW-LIRRHRJNSA-N 0 0 452.382 4.572 20 0 JJADRN Cc1ccccc1C1(CNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CCCCC1 ZINC001442912944 1066239424 /nfs/dbraw/zinc/23/94/24/1066239424.db2.gz YIBFBDQBAGEHAZ-UHFFFAOYSA-N 0 0 458.624 4.542 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001442910896 1066239563 /nfs/dbraw/zinc/23/95/63/1066239563.db2.gz QXUSCJWYLULSDW-KUHUBIRLSA-N 0 0 452.382 4.572 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361031064 1066239528 /nfs/dbraw/zinc/23/95/28/1066239528.db2.gz GQFWQOQLOIMMTE-XMMPIXPASA-N 0 0 489.458 4.904 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)c1 ZINC001361031097 1066240211 /nfs/dbraw/zinc/24/02/11/1066240211.db2.gz HWSQMXUDOBCDMC-VXKWHMMOSA-N 0 0 467.658 4.651 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001442916974 1066240080 /nfs/dbraw/zinc/24/00/80/1066240080.db2.gz BVBCWQIXYUNBDH-UHFFFAOYSA-N 0 0 455.308 4.624 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCCOCC(C)C)c1 ZINC001361031184 1066240771 /nfs/dbraw/zinc/24/07/71/1066240771.db2.gz KBZXUMGWHHAEPO-UPVQGACJSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCC(=O)NC(C)C)c1 ZINC001361031229 1066240806 /nfs/dbraw/zinc/24/08/06/1066240806.db2.gz LRMKMQGVEDSHKD-UHFFFAOYSA-N 0 0 489.611 4.794 20 0 JJADRN O=C(NCC/C=C\c1ccc(Br)cc1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001454049945 1066240875 /nfs/dbraw/zinc/24/08/75/1066240875.db2.gz UJUDIZUDGBCTHF-XQRVVYSFSA-N 0 0 453.336 4.968 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCCCO2)c1 ZINC001361031249 1066240990 /nfs/dbraw/zinc/24/09/90/1066240990.db2.gz MFEQNJZFHMSBFZ-LJQANCHMSA-N 0 0 461.404 4.532 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)on1 ZINC001454056568 1066241033 /nfs/dbraw/zinc/24/10/33/1066241033.db2.gz PLVQRTXXUWLFKX-HSZRJFAPSA-N 0 0 455.514 4.528 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)NCC/C=C\c2ccc(Br)cc2)c1 ZINC001454051224 1066241124 /nfs/dbraw/zinc/24/11/24/1066241124.db2.gz VUTCYCRSNQPONR-RQOWECAXSA-N 0 0 454.162 4.636 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546057522 1066241146 /nfs/dbraw/zinc/24/11/46/1066241146.db2.gz TVAIIVIZCLYQSN-ZDJNHPEVSA-N 0 0 470.658 4.889 20 0 JJADRN CC(C)COC(=O)N1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001442928853 1066242501 /nfs/dbraw/zinc/24/25/01/1066242501.db2.gz QVHGFFNXFNGJKC-JWGURIENSA-N 0 0 458.505 4.765 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001442932764 1066243148 /nfs/dbraw/zinc/24/31/48/1066243148.db2.gz NEJZZNQRLMJFND-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCC[C@@H](c4ncc(C(=O)OC)s4)C3)cs2)cc1 ZINC001454083118 1066243290 /nfs/dbraw/zinc/24/32/90/1066243290.db2.gz APIQKVDTGCWPSB-QGZVFWFLSA-N 0 0 455.605 4.564 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCCCS2)c1 ZINC001361031915 1066243595 /nfs/dbraw/zinc/24/35/95/1066243595.db2.gz FUNSELVGDKQCKT-GMAHTHKFSA-N 0 0 485.698 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCCCS2)c1 ZINC001361031916 1066243755 /nfs/dbraw/zinc/24/37/55/1066243755.db2.gz FUNSELVGDKQCKT-JTHBVZDNSA-N 0 0 485.698 4.501 20 0 JJADRN O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccnc(Cl)c1I ZINC001442939282 1066243866 /nfs/dbraw/zinc/24/38/66/1066243866.db2.gz YDYGPLOQTZHTNK-UHFFFAOYSA-N 0 0 459.690 4.721 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCc1cc(F)ccc1OC(F)F ZINC001454088858 1066244145 /nfs/dbraw/zinc/24/41/45/1066244145.db2.gz NKRUJPYNYBDEGG-UHFFFAOYSA-N 0 0 454.246 4.614 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)Cc3coc4c3ccc(Cl)c4Cl)C2)s1 ZINC001454092222 1066244753 /nfs/dbraw/zinc/24/47/53/1066244753.db2.gz NAQMWMYSQSKFTR-NSHDSACASA-N 0 0 453.347 4.931 20 0 JJADRN Cc1noc([C@@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001361032108 1066245098 /nfs/dbraw/zinc/24/50/98/1066245098.db2.gz LQXPOMSPDIXQCH-AJTFRIOCSA-N 0 0 496.656 4.737 20 0 JJADRN C[C@@H](O)[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC001454105579 1066245417 /nfs/dbraw/zinc/24/54/17/1066245417.db2.gz RJLFADPYOXTOQO-KBMIEXCESA-N 0 0 454.636 4.860 20 0 JJADRN COc1cc(CCCNC(=O)c2sc3ccccc3c2Br)cc(OC)c1O ZINC001454103475 1066245562 /nfs/dbraw/zinc/24/55/62/1066245562.db2.gz KWQPHSVHTRNWBP-UHFFFAOYSA-N 0 0 450.354 4.749 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001442955412 1066245528 /nfs/dbraw/zinc/24/55/28/1066245528.db2.gz KAFYAMPOIPEYJG-NJYVYQBISA-N 0 0 459.631 4.501 20 0 JJADRN CC(C)c1nc(CCNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cs1 ZINC001442958162 1066245611 /nfs/dbraw/zinc/24/56/11/1066245611.db2.gz CYYMLUOIGCQKHT-UHFFFAOYSA-N 0 0 454.543 4.922 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001361032299 1066245776 /nfs/dbraw/zinc/24/57/76/1066245776.db2.gz PVTFOYZJFNNQQI-LJQANCHMSA-N 0 0 479.625 4.822 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@H](C(C)C)[C@H](O)c3ccc(Cl)cc3)n2)cc1 ZINC001454107794 1066246045 /nfs/dbraw/zinc/24/60/45/1066246045.db2.gz PCZBCWBKFQZQFQ-DHIUTWEWSA-N 0 0 457.958 4.596 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@@H](C(C)C)[C@H](O)c3ccc(Cl)cc3)n2)cc1 ZINC001454107801 1066246141 /nfs/dbraw/zinc/24/61/41/1066246141.db2.gz PCZBCWBKFQZQFQ-XZOQPEGZSA-N 0 0 457.958 4.596 20 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CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1C[C@H](CC)Oc1ccccc1F ZINC001545952900 1066246419 /nfs/dbraw/zinc/24/64/19/1066246419.db2.gz QLYGFZRGLIWJHO-NQIIRXRSSA-N 0 0 481.620 4.522 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1noc2ccc(Br)cc12)[C@H](O)c1ccc(Cl)cc1 ZINC001454109921 1066246988 /nfs/dbraw/zinc/24/69/88/1066246988.db2.gz RIIMQMIFLKFGJT-WOJBJXKFSA-N 0 0 451.748 4.661 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001454112559 1066247258 /nfs/dbraw/zinc/24/72/58/1066247258.db2.gz AEPQUPYKBXYGQC-VWLOTQADSA-N 0 0 451.592 4.646 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361032888 1066247599 /nfs/dbraw/zinc/24/75/99/1066247599.db2.gz VMWQHUOFYRYMHC-GOTSBHOMSA-N 0 0 499.725 4.606 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC3(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361032820 1066247791 /nfs/dbraw/zinc/24/77/91/1066247791.db2.gz UZXGMKFOEJGPPG-LJQANCHMSA-N 0 0 465.564 4.737 20 0 JJADRN O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001546058111 1066247646 /nfs/dbraw/zinc/24/76/46/1066247646.db2.gz CLMOBEPGHUFFFE-GJZGRUSLSA-N 0 0 453.753 4.680 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361033041 1066248292 /nfs/dbraw/zinc/24/82/92/1066248292.db2.gz XCTPJXZBJOMZRE-IFMALSPDSA-N 0 0 479.591 4.983 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000029905633 1066248397 /nfs/dbraw/zinc/24/83/97/1066248397.db2.gz KKMMSMBQUCOFTC-UHFFFAOYSA-N 0 0 496.593 4.762 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361033040 1066248442 /nfs/dbraw/zinc/24/84/42/1066248442.db2.gz XCEJVLYWYJQLLV-OAHLLOKOSA-N 0 0 458.500 4.627 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2nc(C)c(Br)s2)cc1OC ZINC001442976569 1066249002 /nfs/dbraw/zinc/24/90/02/1066249002.db2.gz VGROZGXRSNLDQB-HNNXBMFYSA-N 0 0 453.402 4.859 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361033045 1066249086 /nfs/dbraw/zinc/24/90/86/1066249086.db2.gz XCTPJXZBJOMZRE-RBBKRZOGSA-N 0 0 479.591 4.983 20 0 JJADRN C[C@H](N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)CC1)C(F)(F)F ZINC001361033343 1066249459 /nfs/dbraw/zinc/24/94/59/1066249459.db2.gz PZTGHQNWFJPOSJ-AWEZNQCLSA-N 0 0 457.290 4.950 20 0 JJADRN CCC(CC)Oc1ccc(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC001442983243 1066249667 /nfs/dbraw/zinc/24/96/67/1066249667.db2.gz FMZBXTOIZDSTGM-UHFFFAOYSA-N 0 0 452.576 4.985 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001442979348 1066249843 /nfs/dbraw/zinc/24/98/43/1066249843.db2.gz AUDKCAOZXJNNFS-UHFFFAOYSA-N 0 0 459.521 4.693 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)cnc1C(F)(F)F ZINC001454149097 1066250079 /nfs/dbraw/zinc/25/00/79/1066250079.db2.gz FJSJHNTXXHJZSR-HYVNUMGLSA-N 0 0 457.493 4.542 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545953392 1066250455 /nfs/dbraw/zinc/25/04/55/1066250455.db2.gz XHTHWBZAGOKYNP-SVFBPWRDSA-N 0 0 454.594 4.906 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001442996457 1066251425 /nfs/dbraw/zinc/25/14/25/1066251425.db2.gz MKKYOVHKNJNUPT-NVQXNPDNSA-N 0 0 457.615 4.998 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cs1 ZINC001361034816 1066251657 /nfs/dbraw/zinc/25/16/57/1066251657.db2.gz DZXRLUOWUOFMFA-LJQANCHMSA-N 0 0 493.599 4.965 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccsc2)c1 ZINC001361034814 1066251785 /nfs/dbraw/zinc/25/17/85/1066251785.db2.gz DYNJQOAYASQRDP-UHFFFAOYSA-N 0 0 497.665 4.835 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545953526 1066252050 /nfs/dbraw/zinc/25/20/50/1066252050.db2.gz ZBJUJISMVZCHSA-XMSQKQJNSA-N 0 0 484.620 4.715 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361035032 1066252259 /nfs/dbraw/zinc/25/22/59/1066252259.db2.gz NNGCFERHSYZYGY-FCHUYYIVSA-N 0 0 497.640 4.612 20 0 JJADRN CC(C)C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC001443008965 1066252875 /nfs/dbraw/zinc/25/28/75/1066252875.db2.gz HIGZPRAVPVDLDZ-QZTJIDSGSA-N 0 0 455.498 4.534 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001443013554 1066253241 /nfs/dbraw/zinc/25/32/41/1066253241.db2.gz HRPORUQGCAIMNG-AWEZNQCLSA-N 0 0 451.430 4.606 20 0 JJADRN CCN(C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC001454203057 1066254223 /nfs/dbraw/zinc/25/42/23/1066254223.db2.gz MVAWCPPYZSARKO-IBGZPJMESA-N 0 0 457.496 4.508 20 0 JJADRN CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)Oc1ccccc1F ZINC001545953140 1066254209 /nfs/dbraw/zinc/25/42/09/1066254209.db2.gz ULQRQOMQIXOMHC-QRVBRYPASA-N 0 0 475.609 4.892 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(NCc3ccsc3)cc2)cc1)N1CCSCC1 ZINC001443018063 1066254340 /nfs/dbraw/zinc/25/43/40/1066254340.db2.gz UUPGLKAWNHUEKT-UHFFFAOYSA-N 0 0 451.617 4.730 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CCCC(F)(F)F)c1 ZINC001361035635 1066254353 /nfs/dbraw/zinc/25/43/53/1066254353.db2.gz HZRQOAGAQJLVKH-UHFFFAOYSA-N 0 0 492.521 4.677 20 0 JJADRN CCN(C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001454205693 1066254507 /nfs/dbraw/zinc/25/45/07/1066254507.db2.gz SFVJDQDMVZHBSP-FQEVSTJZSA-N 0 0 454.920 4.947 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454215632 1066254534 /nfs/dbraw/zinc/25/45/34/1066254534.db2.gz HYDQNVRXUFAAGJ-GFCCVEGCSA-N 0 0 458.747 4.715 20 0 JJADRN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205566 1066254633 /nfs/dbraw/zinc/25/46/33/1066254633.db2.gz PMBDLPNGIZZHAL-TUPIDYKKSA-N 0 0 455.967 4.998 20 0 JJADRN CCOc1cc(C(=O)N2CCN(C)c3ccc(F)cc32)ccc1OCCOc1ccccc1 ZINC001361036275 1066255138 /nfs/dbraw/zinc/25/51/38/1066255138.db2.gz DHAOISWDAZFTIH-UHFFFAOYSA-N 0 0 450.510 4.779 20 0 JJADRN CC(C)(C)c1cc(Br)c(NS(=O)(=O)c2ccc(N)cc2)c(Br)c1 ZINC000001706338 1066255351 /nfs/dbraw/zinc/25/53/51/1066255351.db2.gz HBQONSPTJJJREW-UHFFFAOYSA-N 0 0 462.207 4.892 20 0 JJADRN CO[C@@](C)(C(=O)NCC1(c2ccc(Br)cc2)CCCCC1)C(=O)OC(C)(C)C ZINC001361037717 1066255980 /nfs/dbraw/zinc/25/59/80/1066255980.db2.gz ORIIHVQQYPAHBK-NRFANRHFSA-N 0 0 454.405 4.514 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1C ZINC001454222407 1066256265 /nfs/dbraw/zinc/25/62/65/1066256265.db2.gz RYABGCDQZVZYGX-NSHDSACASA-N 0 0 453.711 4.929 20 0 JJADRN COc1ccc(Br)c(NC(=O)c2cc(Br)c(Br)[nH]2)c1 ZINC001443029090 1066256300 /nfs/dbraw/zinc/25/63/00/1066256300.db2.gz PMJGMAMYZZVWDW-UHFFFAOYSA-N 0 0 452.928 4.563 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001443025150 1066256325 /nfs/dbraw/zinc/25/63/25/1066256325.db2.gz YUGNHNXXDHLWRY-RBBKRZOGSA-N 0 0 456.514 4.528 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)CC1 ZINC001443033241 1066256962 /nfs/dbraw/zinc/25/69/62/1066256962.db2.gz XBESSLGAWVIHQQ-UHFFFAOYSA-N 0 0 457.659 4.511 20 0 JJADRN Cc1cc(C(=O)NCCc2coc(-c3ccccc3)n2)nn1-c1ccccc1Br ZINC001443034908 1066256989 /nfs/dbraw/zinc/25/69/89/1066256989.db2.gz LKJUIOZJVQVEBF-UHFFFAOYSA-N 0 0 451.324 4.571 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)OC ZINC001545953585 1066257388 /nfs/dbraw/zinc/25/73/88/1066257388.db2.gz ZXBQMHULMRRDMC-YSIASYRMSA-N 0 0 483.579 4.533 20 0 JJADRN O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(Br)cc1Br ZINC001443038250 1066257442 /nfs/dbraw/zinc/25/74/42/1066257442.db2.gz WFHGREJMRDMLPS-UHFFFAOYSA-N 0 0 450.130 4.839 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001361038556 1066257668 /nfs/dbraw/zinc/25/76/68/1066257668.db2.gz ZDJSZXDZFUNDAN-QGZVFWFLSA-N 0 0 455.274 4.503 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361038644 1066257745 /nfs/dbraw/zinc/25/77/45/1066257745.db2.gz LUJQRBYDRBBUQU-RUZDIDTESA-N 0 0 488.583 4.755 20 0 JJADRN O=C(NCC1(c2c(F)cccc2F)CCCC1)c1ccc(I)cc1O ZINC001443045320 1066258257 /nfs/dbraw/zinc/25/82/57/1066258257.db2.gz NRIMLPOTYQYORA-UHFFFAOYSA-N 0 0 457.258 4.517 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(C(=O)c3cc(C)c(Br)o3)CC2)n1 ZINC001454254423 1066258295 /nfs/dbraw/zinc/25/82/95/1066258295.db2.gz ZSAOTWKRDWVGPL-UHFFFAOYSA-N 0 0 456.340 4.836 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001361038910 1066258345 /nfs/dbraw/zinc/25/83/45/1066258345.db2.gz SKOJVGLCSVOWGD-RLWLMLJZSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[C@H]2CCOC2)c1 ZINC001361038908 1066258606 /nfs/dbraw/zinc/25/86/06/1066258606.db2.gz SKOJVGLCSVOWGD-LVXARBLLSA-N 0 0 456.631 4.542 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCN[C@@H](c4ccc(Cl)cc4)C3)s2)cc1OC ZINC001454259586 1066259007 /nfs/dbraw/zinc/25/90/07/1066259007.db2.gz YDPLAJYBZUXESM-GOSISDBHSA-N 0 0 457.983 4.576 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(C)cc12 ZINC001454260345 1066259282 /nfs/dbraw/zinc/25/92/82/1066259282.db2.gz BBEDSSHAJDYPCS-QFIPXVFZSA-N 0 0 455.530 4.549 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361039123 1066259562 /nfs/dbraw/zinc/25/95/62/1066259562.db2.gz YEEPEPFEHFVNSN-IBGZPJMESA-N 0 0 485.654 4.767 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)C1 ZINC001443054653 1066259598 /nfs/dbraw/zinc/25/95/98/1066259598.db2.gz OMHQFHOIDMAYMC-SJLPKXTDSA-N 0 0 464.006 4.988 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC001454266392 1066260123 /nfs/dbraw/zinc/26/01/23/1066260123.db2.gz BSRDRALXRUMCGK-DKSSEZFCSA-N 0 0 453.535 4.812 20 0 JJADRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc2O1 ZINC001443057009 1066260507 /nfs/dbraw/zinc/26/05/07/1066260507.db2.gz WVRSPOTUCRUITJ-NRFANRHFSA-N 0 0 459.468 4.899 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC001443056602 1066260613 /nfs/dbraw/zinc/26/06/13/1066260613.db2.gz CLIOLPWUMVMQIA-HXUWFJFHSA-N 0 0 456.564 4.832 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001361039277 1066260407 /nfs/dbraw/zinc/26/04/07/1066260407.db2.gz CFIWWSYKLFPWBK-ROUUACIJSA-N 0 0 472.684 4.597 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361039355 1066260447 /nfs/dbraw/zinc/26/04/47/1066260447.db2.gz FTZBALKZFMVSNJ-BURNTYAHSA-N 0 0 462.585 4.874 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361039358 1066260592 /nfs/dbraw/zinc/26/05/92/1066260592.db2.gz FTZBALKZFMVSNJ-UWHLTILDSA-N 0 0 462.585 4.874 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)ccc1O ZINC001454266512 1066260769 /nfs/dbraw/zinc/26/07/69/1066260769.db2.gz CUGVBWABQCIEJB-UHFFFAOYSA-N 0 0 453.564 4.812 20 0 JJADRN CC[C@H](NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)c1nc2ccccc2[nH]1 ZINC001443061638 1066261790 /nfs/dbraw/zinc/26/17/90/1066261790.db2.gz MVWYXKIWGZMNAV-WFUFZQCFSA-N 0 0 458.628 4.699 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC001361039665 1066261859 /nfs/dbraw/zinc/26/18/59/1066261859.db2.gz PYTGHPCFZXAXNB-UHFFFAOYSA-N 0 0 467.658 4.763 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)n1 ZINC001361039767 1066262262 /nfs/dbraw/zinc/26/22/62/1066262262.db2.gz TYKQZTGSVUXBTE-YADHBBJMSA-N 0 0 468.671 4.708 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Br)c2N)C1 ZINC001443064835 1066262587 /nfs/dbraw/zinc/26/25/87/1066262587.db2.gz ZGIKTCSMDMVPHL-LBPRGKRZSA-N 0 0 457.199 4.903 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCN(Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059232 1066262927 /nfs/dbraw/zinc/26/29/27/1066262927.db2.gz GVZPKAQUJAWYDX-SQJMNOBHSA-N 0 0 460.066 4.899 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361039904 1066263103 /nfs/dbraw/zinc/26/31/03/1066263103.db2.gz ZAAXSRMGSQHXHP-AABGKKOBSA-N 0 0 489.686 4.717 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361040761 1066263129 /nfs/dbraw/zinc/26/31/29/1066263129.db2.gz HKFXXRGHOJJZGC-FCHUYYIVSA-N 0 0 458.986 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC001361041043 1066263682 /nfs/dbraw/zinc/26/36/82/1066263682.db2.gz OPLUFZUFYBROIA-RBUKOAKNSA-N 0 0 450.023 4.852 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCC(=O)c1ccc(F)cc1Cl)C1CCCCCC1 ZINC001454278524 1066263787 /nfs/dbraw/zinc/26/37/87/1066263787.db2.gz CNJHRIKRABSUOB-SFHVURJKSA-N 0 0 454.970 4.889 20 0 JJADRN Cc1cc2c(NC(=O)Cc3c(F)ccc(Br)c3F)n[nH]c2c(Br)c1 ZINC001454280539 1066264512 /nfs/dbraw/zinc/26/45/12/1066264512.db2.gz RUVSKPISOZCQNE-UHFFFAOYSA-N 0 0 459.088 4.856 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC(C)(C)Cc3ccc(Br)cc3)[nH]n2)c(OC)c1 ZINC001443089083 1066264826 /nfs/dbraw/zinc/26/48/26/1066264826.db2.gz KEERPQKPMXYFOR-UHFFFAOYSA-N 0 0 458.356 4.608 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001361041666 1066264907 /nfs/dbraw/zinc/26/49/07/1066264907.db2.gz GEHFBMFGCFWSRL-UHFFFAOYSA-N 0 0 452.521 4.520 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001361041761 1066264990 /nfs/dbraw/zinc/26/49/90/1066264990.db2.gz IPAGADRTYVYTIM-UHFFFAOYSA-N 0 0 471.646 4.620 20 0 JJADRN Cc1nc(CS(C)(=O)=O)sc1CC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C ZINC001443091792 1066265287 /nfs/dbraw/zinc/26/52/87/1066265287.db2.gz ZJYQPAZQXCQVFZ-QGZVFWFLSA-N 0 0 458.605 4.626 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001443092398 1066265404 /nfs/dbraw/zinc/26/54/04/1066265404.db2.gz PWBNMBOTVMKNIM-IBGZPJMESA-N 0 0 453.391 4.553 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@H](C)OC(C)(C)C2)O1 ZINC001546059444 1066265676 /nfs/dbraw/zinc/26/56/76/1066265676.db2.gz KFPPFLVXZQWLQB-XHNVNVPESA-N 0 0 474.671 4.930 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccn2)c1 ZINC001361042196 1066265622 /nfs/dbraw/zinc/26/56/22/1066265622.db2.gz VQGJPNYZWMKYPB-UHFFFAOYSA-N 0 0 481.398 4.763 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC001361042227 1066265678 /nfs/dbraw/zinc/26/56/78/1066265678.db2.gz WTALFHITGTZFLN-MRXNPFEDSA-N 0 0 481.544 4.590 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361042420 1066266148 /nfs/dbraw/zinc/26/61/48/1066266148.db2.gz CSHGXTQHSXVQOF-FUDKSRODSA-N 0 0 499.656 4.660 20 0 JJADRN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443093202 1066266239 /nfs/dbraw/zinc/26/62/39/1066266239.db2.gz IWLXWZLZPPBYPE-APWZRJJASA-N 0 0 453.753 4.600 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361042655 1066266751 /nfs/dbraw/zinc/26/67/51/1066266751.db2.gz LOAHKWGTLKYBFO-JOCHJYFZSA-N 0 0 483.657 4.810 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361042771 1066266790 /nfs/dbraw/zinc/26/67/90/1066266790.db2.gz PDHFIXZCHVLIPQ-YIXXDRMTSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1ccc2c(CC(=O)Nc3ccc(N4CC[C@H](CO)C4)c(Br)c3)coc2c1C ZINC001454305288 1066267044 /nfs/dbraw/zinc/26/70/44/1066267044.db2.gz XAOBTAXYHQUHHY-INIZCTEOSA-N 0 0 457.368 4.812 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(-c4ccccc4Cl)n3CCSCC(C)C)CC2)n1 ZINC001361042937 1066267308 /nfs/dbraw/zinc/26/73/08/1066267308.db2.gz WDPJEUATYFCCPQ-UHFFFAOYSA-N 0 0 486.089 4.721 20 0 JJADRN COc1ccccc1[C@H]1CCCN1C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001443100474 1066268042 /nfs/dbraw/zinc/26/80/42/1066268042.db2.gz OBERHUXVLKDXAP-OAQYLSRUSA-N 0 0 452.551 4.802 20 0 JJADRN O=C(NCCn1cncc1-c1ccccc1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001454319965 1066269383 /nfs/dbraw/zinc/26/93/83/1066269383.db2.gz IEPXLXQUJBCZIC-UHFFFAOYSA-N 0 0 457.317 4.854 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC001454323073 1066269569 /nfs/dbraw/zinc/26/95/69/1066269569.db2.gz BKQBYJACKQGWHX-KRWDZBQOSA-N 0 0 455.338 4.812 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@H](CC)OC)c1ccccc1 ZINC001545954487 1066269446 /nfs/dbraw/zinc/26/94/46/1066269446.db2.gz FRMLBFAKGSGSBR-FCHUYYIVSA-N 0 0 468.671 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)CC2 ZINC001443104823 1066269650 /nfs/dbraw/zinc/26/96/50/1066269650.db2.gz YRTPHYRLSHBIEZ-TUAABQIMSA-N 0 0 455.382 4.825 20 0 JJADRN O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001454324797 1066269710 /nfs/dbraw/zinc/26/97/10/1066269710.db2.gz CEMLISOBJSQEGS-NVMNQCDNSA-N 0 0 452.301 4.674 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2=CCCCC2)c2ccccc2n1 ZINC001361045321 1066269981 /nfs/dbraw/zinc/26/99/81/1066269981.db2.gz TYZVQLHLHOHHAR-OALUTQOASA-N 0 0 467.639 4.560 20 0 JJADRN O=C(c1cnc(-c2ccc(C(F)(F)F)cc2)s1)N1CCCN(Cc2cscn2)CC1 ZINC001443116032 1066270284 /nfs/dbraw/zinc/27/02/84/1066270284.db2.gz ULGJGAULRIIXRC-UHFFFAOYSA-N 0 0 452.527 4.634 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC001454328326 1066270182 /nfs/dbraw/zinc/27/01/82/1066270182.db2.gz XUCPMNUQHQVYGL-UHFFFAOYSA-N 0 0 451.351 4.539 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2nc3c(cc(Cl)cc3Cl)[nH]2)cs1 ZINC001454328653 1066270228 /nfs/dbraw/zinc/27/02/28/1066270228.db2.gz PHBSVEQONRQLEM-UHFFFAOYSA-N 0 0 456.355 4.646 20 0 JJADRN CCOC(=O)[C@H]1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCC1(F)F ZINC001454325876 1066270354 /nfs/dbraw/zinc/27/03/54/1066270354.db2.gz IIKVGONQASYZIX-MRXNPFEDSA-N 0 0 458.383 4.553 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045590 1066271041 /nfs/dbraw/zinc/27/10/41/1066271041.db2.gz CMZKHSAVRYYWNQ-HXUWFJFHSA-N 0 0 494.640 4.579 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(F)(F)F)n2Cc2nnc(C(C)(C)C)s2)c2ccccc2n1 ZINC001361045611 1066271124 /nfs/dbraw/zinc/27/11/24/1066271124.db2.gz DIMWNWOZMPOFGC-UHFFFAOYSA-N 0 0 475.544 4.998 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CCNC(=O)C(C)(C)C)c2ccccc2n1 ZINC001361045735 1066271947 /nfs/dbraw/zinc/27/19/47/1066271947.db2.gz HVLFRVHXCHTFKT-FQEVSTJZSA-N 0 0 460.626 4.757 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC001454337379 1066271895 /nfs/dbraw/zinc/27/18/95/1066271895.db2.gz IJQSJQOXQAKSQF-CYFREDJKSA-N 0 0 455.396 4.734 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443136347 1066272242 /nfs/dbraw/zinc/27/22/42/1066272242.db2.gz JYAWETKJECRNNC-IQGLISFBSA-N 0 0 455.574 4.624 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c2ccccc2n1 ZINC001361045873 1066272237 /nfs/dbraw/zinc/27/22/37/1066272237.db2.gz MMEVGDRBEYPXHD-NLFFAJNJSA-N 0 0 492.668 4.604 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001454341313 1066272531 /nfs/dbraw/zinc/27/25/31/1066272531.db2.gz XYZGYKIMUKAXCS-XUZZJYLKSA-N 0 0 455.396 4.734 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC001454337386 1066272569 /nfs/dbraw/zinc/27/25/69/1066272569.db2.gz IJQSJQOXQAKSQF-YADARESESA-N 0 0 455.396 4.734 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)OC ZINC001545954664 1066273103 /nfs/dbraw/zinc/27/31/03/1066273103.db2.gz IRESXSRKPZWUPQ-RTBURBONSA-N 0 0 474.531 4.617 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nnc2C(C)(C)C)O1 ZINC001546060170 1066272930 /nfs/dbraw/zinc/27/29/30/1066272930.db2.gz WKABPZUSPOCGGP-IQGLISFBSA-N 0 0 492.039 4.678 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001443150974 1066273631 /nfs/dbraw/zinc/27/36/31/1066273631.db2.gz MJKGYXGFKFJKOI-OAHLLOKOSA-N 0 0 453.377 4.824 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001454345887 1066273685 /nfs/dbraw/zinc/27/36/85/1066273685.db2.gz LKTIRWFRGYZDQZ-PSWAGMNNSA-N 0 0 456.612 4.914 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccco3)n2CCCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361046086 1066273872 /nfs/dbraw/zinc/27/38/72/1066273872.db2.gz VCXNVBDHPRXIOB-UHFFFAOYSA-N 0 0 472.515 4.915 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](CC)OC)c1ccccc1 ZINC001545954780 1066273813 /nfs/dbraw/zinc/27/38/13/1066273813.db2.gz KJMUWWBNRYCJRP-ILWGZMRPSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC2CCOCC2)O1 ZINC001546060278 1066274070 /nfs/dbraw/zinc/27/40/70/1066274070.db2.gz XSAXDDFBBICPCA-PIXQIBFHSA-N 0 0 462.679 4.797 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361046177 1066274428 /nfs/dbraw/zinc/27/44/28/1066274428.db2.gz XYIQBFGFRDSYBK-HXUWFJFHSA-N 0 0 460.626 4.899 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)C(F)(F)F)c2ccccc2n1 ZINC001361046136 1066274592 /nfs/dbraw/zinc/27/45/92/1066274592.db2.gz XBUYLZAACKNOGE-UHFFFAOYSA-N 0 0 455.488 4.817 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(F)F)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361046178 1066274664 /nfs/dbraw/zinc/27/46/64/1066274664.db2.gz XZDBJUXYGIHNGM-UHFFFAOYSA-N 0 0 474.556 4.808 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(OC)c(Br)c2)O1 ZINC001546060381 1066274657 /nfs/dbraw/zinc/27/46/57/1066274657.db2.gz ZEORUOIAUIKLBR-VFNWGFHPSA-N 0 0 475.391 4.541 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)O1 ZINC001546060373 1066274668 /nfs/dbraw/zinc/27/46/68/1066274668.db2.gz ZCBNSPGJDGYLCH-IIBYNOLFSA-N 0 0 475.391 4.541 20 0 JJADRN COc1ccccc1CN1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC001443157283 1066275009 /nfs/dbraw/zinc/27/50/09/1066275009.db2.gz TUEYQCJKBCPGJS-UHFFFAOYSA-N 0 0 455.480 4.734 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)CSc3nccn3-c3cccc(Cl)c3C)CCO2)cc1 ZINC001454356494 1066275109 /nfs/dbraw/zinc/27/51/09/1066275109.db2.gz VMQVZBMULVAZMW-OAQYLSRUSA-N 0 0 457.983 4.535 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3NC(=O)c3ccoc3C)CCO2)cc1 ZINC001454354190 1066275329 /nfs/dbraw/zinc/27/53/29/1066275329.db2.gz LHPYTINYLJIFJL-QFIPXVFZSA-N 0 0 454.910 4.716 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N1CCOc2cc(F)ccc2C1)NC(=O)OC(C)(C)C ZINC001454358482 1066275382 /nfs/dbraw/zinc/27/53/82/1066275382.db2.gz CJMTYIKCJCDKHP-HXUWFJFHSA-N 0 0 458.530 4.602 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CC[C@@H](c3ccc(O)cc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001454363188 1066275823 /nfs/dbraw/zinc/27/58/23/1066275823.db2.gz OSTXOLKHSGNUBA-XLIONFOSSA-N 0 0 459.974 4.721 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CSCc2ccc(Br)cc2)o1 ZINC001361046446 1066275831 /nfs/dbraw/zinc/27/58/31/1066275831.db2.gz FDQTZCMMAVVBAS-IBGZPJMESA-N 0 0 458.381 4.700 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001454363182 1066276005 /nfs/dbraw/zinc/27/60/05/1066276005.db2.gz OSTXOLKHSGNUBA-FXAWDEMLSA-N 0 0 459.974 4.721 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc2)n1 ZINC001454374139 1066276067 /nfs/dbraw/zinc/27/60/67/1066276067.db2.gz NZNNIWARBFOQMY-QFIPXVFZSA-N 0 0 459.377 4.808 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CSc1cccc(Br)c1 ZINC001361046789 1066276340 /nfs/dbraw/zinc/27/63/40/1066276340.db2.gz MBLRLNHGSDLLAF-RHSMWYFYSA-N 0 0 457.434 4.836 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001361046727 1066276395 /nfs/dbraw/zinc/27/63/95/1066276395.db2.gz KWTXLWSAYGCGMB-ZOCIIQOWSA-N 0 0 451.405 4.773 20 0 JJADRN CSCc1ccc(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)cc1 ZINC001443170828 1066277505 /nfs/dbraw/zinc/27/75/05/1066277505.db2.gz ZUCXXTCTTISOOW-FQEVSTJZSA-N 0 0 455.580 4.580 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccnn1Cc1cccc(Br)c1 ZINC001443200590 1066278560 /nfs/dbraw/zinc/27/85/60/1066278560.db2.gz GWHJOUYPMSFDLJ-UHFFFAOYSA-N 0 0 452.352 4.784 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n(-c2ccccc2C(F)(F)F)n1 ZINC001443204440 1066279028 /nfs/dbraw/zinc/27/90/28/1066279028.db2.gz ISBZBJAFVUNJOL-AWEZNQCLSA-N 0 0 452.477 4.641 20 0 JJADRN Cc1cc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCOCC(F)F)c2ccccc2n1 ZINC001361048856 1066279141 /nfs/dbraw/zinc/27/91/41/1066279141.db2.gz LCUAXNWVXPTHPM-UHFFFAOYSA-N 0 0 467.442 4.782 20 0 JJADRN C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001443201830 1066279267 /nfs/dbraw/zinc/27/92/67/1066279267.db2.gz FMFZBOWGADLYNE-KRWDZBQOSA-N 0 0 451.571 4.976 20 0 JJADRN CC(=O)Nc1ccccc1CC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC001443207224 1066279760 /nfs/dbraw/zinc/27/97/60/1066279760.db2.gz QDIJFLPDHITOSI-UHFFFAOYSA-N 0 0 450.848 4.993 20 0 JJADRN C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 ZINC001454411427 1066280049 /nfs/dbraw/zinc/28/00/49/1066280049.db2.gz MFKRPNNCAHMCAB-PHWHVTFISA-N 0 0 452.551 4.540 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccnn1Cc1ccc(Br)cc1 ZINC001443212528 1066280746 /nfs/dbraw/zinc/28/07/46/1066280746.db2.gz ZBPMPXWVGGIREP-UHFFFAOYSA-N 0 0 452.352 4.784 20 0 JJADRN CCC(CC)(CNC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001443214713 1066280811 /nfs/dbraw/zinc/28/08/11/1066280811.db2.gz LUGIZVIYDFXQRZ-UHFFFAOYSA-N 0 0 457.423 4.536 20 0 JJADRN O=C(N[C@@H]1CCc2c1cccc2Br)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001443211783 1066280900 /nfs/dbraw/zinc/28/09/00/1066280900.db2.gz ZIYAFRADQBQMGG-DOAWATSRSA-N 0 0 451.320 4.617 20 0 JJADRN O=C(N[C@@H]1CCc2c1cccc2Br)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001443211798 1066280945 /nfs/dbraw/zinc/28/09/45/1066280945.db2.gz ZIYAFRADQBQMGG-PLDFPGSMSA-N 0 0 451.320 4.617 20 0 JJADRN C/C=C/C[C@@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001454414999 1066280869 /nfs/dbraw/zinc/28/08/69/1066280869.db2.gz UFMJKQDBZMAJHB-YWVDXFKGSA-N 0 0 457.294 4.867 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCC(=O)c1cccc(F)c1F ZINC001454414982 1066280961 /nfs/dbraw/zinc/28/09/61/1066280961.db2.gz YVHYWSGFDCFIQJ-UHFFFAOYSA-N 0 0 452.288 4.616 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545955633 1066282156 /nfs/dbraw/zinc/28/21/56/1066282156.db2.gz YPBOVWKNIPYYIO-CGTJXYLNSA-N 0 0 452.521 4.854 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)C1 ZINC001546061604 1066282279 /nfs/dbraw/zinc/28/22/79/1066282279.db2.gz CEVZLSRDUNLZPW-QMHKHESXSA-N 0 0 458.607 4.976 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@](C)(CC)O2)C1 ZINC001546061601 1066282324 /nfs/dbraw/zinc/28/23/24/1066282324.db2.gz CEAMZWXZWHVOGW-ZPZUNKDASA-N 0 0 474.049 4.836 20 0 JJADRN CCn1c(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)nc2ccccc21 ZINC001443222808 1066282818 /nfs/dbraw/zinc/28/28/18/1066282818.db2.gz CLJPPUZURIKPEP-OAQYLSRUSA-N 0 0 456.974 4.634 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001454457494 1066284266 /nfs/dbraw/zinc/28/42/66/1066284266.db2.gz BDHAYPPNVUOPLC-VUBSUSDNSA-N 0 0 451.007 4.956 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)ccc1NC(=O)OC(C)(C)C ZINC001454456464 1066284336 /nfs/dbraw/zinc/28/43/36/1066284336.db2.gz ZJXQPDHZHRQPOR-UHFFFAOYSA-N 0 0 459.974 4.659 20 0 JJADRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1[nH]nc2ccc(Br)cc21 ZINC001443248135 1066284181 /nfs/dbraw/zinc/28/41/81/1066284181.db2.gz BVHNBIMHTXSDLF-UHFFFAOYSA-N 0 0 456.369 4.597 20 0 JJADRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001443247965 1066284310 /nfs/dbraw/zinc/28/43/10/1066284310.db2.gz BBSUGZQSLKZJNL-UHFFFAOYSA-N 0 0 455.490 4.945 20 0 JJADRN NC(=O)N[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccc(Oc2ccccc2)c1 ZINC001454459617 1066285078 /nfs/dbraw/zinc/28/50/78/1066285078.db2.gz HZEGBSBKAJPXNP-MDNUFGMLSA-N 0 0 451.473 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3csc(-c4ccc(O)cc4)n3)C(C)(C)[C@H]21 ZINC001454459579 1066285097 /nfs/dbraw/zinc/28/50/97/1066285097.db2.gz GTSBGAOMXMLKAB-QRQLOZEOSA-N 0 0 457.596 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ccc(Nc4cccnc4)cc3)C(C)(C)[C@@H]21 ZINC001454458991 1066285249 /nfs/dbraw/zinc/28/52/49/1066285249.db2.gz FMPVIWYGMBEDNL-YPAWHYETSA-N 0 0 450.583 4.979 20 0 JJADRN O=C(NCCCCc1nc(-c2cccnc2)cs1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001443254442 1066285192 /nfs/dbraw/zinc/28/51/92/1066285192.db2.gz QWPLNAHJXBBBCD-UHFFFAOYSA-N 0 0 453.583 4.823 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCOc2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051027 1066285617 /nfs/dbraw/zinc/28/56/17/1066285617.db2.gz IBSSMKVUOLWZPM-VWLOTQADSA-N 0 0 455.551 4.602 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CCN[C@H](c2ccccc2C)C1 ZINC001454463179 1066285644 /nfs/dbraw/zinc/28/56/44/1066285644.db2.gz QOSYZSPEGGHDIW-FQEVSTJZSA-N 0 0 459.974 4.791 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)c21 ZINC001454463082 1066285975 /nfs/dbraw/zinc/28/59/75/1066285975.db2.gz KCKIKVLTEQZLOA-NLSFWIRASA-N 0 0 455.599 4.649 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC001361051129 1066285884 /nfs/dbraw/zinc/28/58/84/1066285884.db2.gz KEVWXHHPDHPZHE-UHFFFAOYSA-N 0 0 458.530 4.809 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)c2c1 ZINC001454462195 1066286042 /nfs/dbraw/zinc/28/60/42/1066286042.db2.gz JWKRNFGIVSTMNM-DLPLYFIVSA-N 0 0 457.546 4.542 20 0 JJADRN Cc1cccc(CN(Cc2ccccn2)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 ZINC001443260676 1066286234 /nfs/dbraw/zinc/28/62/34/1066286234.db2.gz FSBKTHNQYCUONA-UHFFFAOYSA-N 0 0 456.571 4.870 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001454466407 1066286545 /nfs/dbraw/zinc/28/65/45/1066286545.db2.gz LFIAMCQOVKKNDR-UHFFFAOYSA-N 0 0 452.986 4.764 20 0 JJADRN COC[C@H](C)N(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCc2ccccc21 ZINC001454467254 1066287287 /nfs/dbraw/zinc/28/72/87/1066287287.db2.gz GWLSHTLQDKOQNA-WUMKDDEVSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052789 1066287602 /nfs/dbraw/zinc/28/76/02/1066287602.db2.gz WMZPYEHSEDMVSZ-RLLQIKCJSA-N 0 0 494.640 4.576 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H]1C ZINC001361052663 1066287707 /nfs/dbraw/zinc/28/77/07/1066287707.db2.gz MCZNNPLUURUUSD-SEPYTNNBSA-N 0 0 455.965 4.851 20 0 JJADRN Cc1cc(CCC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)ccc1Br ZINC001443268375 1066287880 /nfs/dbraw/zinc/28/78/80/1066287880.db2.gz MTWVPWXVYBLTMJ-FQEVSTJZSA-N 0 0 450.380 4.821 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Br)cn1 ZINC001361052380 1066287829 /nfs/dbraw/zinc/28/78/29/1066287829.db2.gz HULKRZIKUVCKTF-NSHDSACASA-N 0 0 457.155 4.557 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)no1 ZINC001361053129 1066288423 /nfs/dbraw/zinc/28/84/23/1066288423.db2.gz AFVBFSZHCGROKT-BQFCYCMXSA-N 0 0 457.550 4.694 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)C(C)(C)c3csc(-c4c(F)cccc4F)n3)CCN2)c1 ZINC001454472730 1066288605 /nfs/dbraw/zinc/28/86/05/1066288605.db2.gz LEHXSRXOJQPYOF-IBGZPJMESA-N 0 0 457.546 4.548 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nccn2C(F)F)no1 ZINC001361053408 1066288877 /nfs/dbraw/zinc/28/88/77/1066288877.db2.gz HXHWDSZTAKGEKN-KRWDZBQOSA-N 0 0 471.512 4.608 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001454476587 1066288898 /nfs/dbraw/zinc/28/88/98/1066288898.db2.gz UWFZPVZXPJCDBZ-QGTPRVQTSA-N 0 0 455.521 4.901 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)no1 ZINC001361053273 1066289033 /nfs/dbraw/zinc/28/90/33/1066289033.db2.gz DFEJVURGMHCMFF-HNNXBMFYSA-N 0 0 490.461 4.952 20 0 JJADRN COC[C@H](C)N(C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@H]1CCc2ccccc21 ZINC001454477167 1066289176 /nfs/dbraw/zinc/28/91/76/1066289176.db2.gz SSPJXZBYTMPGKE-CYFREDJKSA-N 0 0 452.595 4.918 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@H](C)n2ccc3ccccc3c2=O)cc1 ZINC001443287070 1066289831 /nfs/dbraw/zinc/28/98/31/1066289831.db2.gz UJGDSDVBYXQLNV-FQEVSTJZSA-N 0 0 456.542 4.809 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC001443287118 1066289979 /nfs/dbraw/zinc/28/99/79/1066289979.db2.gz UQHQXYWWCBZKHK-UHFFFAOYSA-N 0 0 458.952 4.792 20 0 JJADRN O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001454479941 1066290404 /nfs/dbraw/zinc/29/04/04/1066290404.db2.gz NWIZJYIOVOCZQC-OAHLLOKOSA-N 0 0 451.331 4.699 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCOC[C@H]2C)no1 ZINC001361054716 1066290875 /nfs/dbraw/zinc/29/08/75/1066290875.db2.gz CGNMVZWJBXIGJS-QAPCUYQASA-N 0 0 474.403 4.621 20 0 JJADRN CCc1c(C(=O)NCCCc2nc(-c3ccncc3)cs2)cnn1-c1ccc(Cl)cc1 ZINC001443299286 1066291812 /nfs/dbraw/zinc/29/18/12/1066291812.db2.gz XDZFBTWNHIKKBS-UHFFFAOYSA-N 0 0 451.983 4.969 20 0 JJADRN O=C(c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)N1CC(Cc2ccccc2Br)C1 ZINC001454491185 1066292019 /nfs/dbraw/zinc/29/20/19/1066292019.db2.gz DEQQQORQTISHHN-UHFFFAOYSA-N 0 0 455.230 4.629 20 0 JJADRN C[C@@H](c1ccccc1)N1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC001454491371 1066292061 /nfs/dbraw/zinc/29/20/61/1066292061.db2.gz DUCQLPJBRYVNFT-FQEVSTJZSA-N 0 0 454.640 4.718 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001546062134 1066292114 /nfs/dbraw/zinc/29/21/14/1066292114.db2.gz LGHNFQPBCJUSPZ-UZUQRXQVSA-N 0 0 481.062 4.523 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001454492752 1066292485 /nfs/dbraw/zinc/29/24/85/1066292485.db2.gz HFNCVULHMTVOSH-UHFFFAOYSA-N 0 0 453.739 4.641 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001546062165 1066292509 /nfs/dbraw/zinc/29/25/09/1066292509.db2.gz LXMYVKULPNUUSU-FDDCHVKYSA-N 0 0 495.089 4.892 20 0 JJADRN O=C(NCc1csc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001454491685 1066292558 /nfs/dbraw/zinc/29/25/58/1066292558.db2.gz KUKOVLDZFMHXLJ-UHFFFAOYSA-N 0 0 458.458 4.637 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361055045 1066292767 /nfs/dbraw/zinc/29/27/67/1066292767.db2.gz POQHEJUXQXAEMR-MJGOQNOKSA-N 0 0 458.404 4.532 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CC(Cc2ccccc2Br)C1 ZINC001454492888 1066292739 /nfs/dbraw/zinc/29/27/39/1066292739.db2.gz IUXNRRNXASGKOO-UHFFFAOYSA-N 0 0 458.381 4.844 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443303634 1066293158 /nfs/dbraw/zinc/29/31/58/1066293158.db2.gz OPHGNPKOJIYWLD-YUXAGFNASA-N 0 0 455.396 4.720 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC001443305425 1066293196 /nfs/dbraw/zinc/29/31/96/1066293196.db2.gz SBBDBNAPSODLSC-UHFFFAOYSA-N 0 0 450.720 4.594 20 0 JJADRN COc1cccc([C@@H](O)C2CCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)c1 ZINC001454498029 1066293316 /nfs/dbraw/zinc/29/33/16/1066293316.db2.gz NHAKGDBOHBWWKM-DEOSSOPVSA-N 0 0 458.986 4.919 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CCCOc2ccccc2F)c2ccc(OC)cc2)n1 ZINC001361055204 1066293346 /nfs/dbraw/zinc/29/33/46/1066293346.db2.gz BSKHPTSXNXMWNA-UHFFFAOYSA-N 0 0 458.511 4.991 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCC2(F)F)no1 ZINC001361055432 1066293696 /nfs/dbraw/zinc/29/36/96/1066293696.db2.gz WTJGXYIZXCHPBA-CQSZACIVSA-N 0 0 483.361 4.804 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)no1 ZINC001361055386 1066293956 /nfs/dbraw/zinc/29/39/56/1066293956.db2.gz VZLZVFWGRFAVLQ-UHFFFAOYSA-N 0 0 454.394 4.517 20 0 JJADRN CCCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)cc1OC ZINC001454499574 1066293927 /nfs/dbraw/zinc/29/39/27/1066293927.db2.gz VATUKUNVZAOETH-FQEVSTJZSA-N 0 0 450.482 4.967 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)c2nccs2)no1 ZINC001361055530 1066294406 /nfs/dbraw/zinc/29/44/06/1066294406.db2.gz YIFQTQGUSCGRRV-CYBMUJFWSA-N 0 0 473.400 4.901 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)C1 ZINC001546062249 1066294534 /nfs/dbraw/zinc/29/45/34/1066294534.db2.gz NDGGKUURVLJQIU-CMJOXMDJSA-N 0 0 460.504 4.960 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@H]1CCCC12CC2)c1ccc(Br)cc1 ZINC001454507006 1066294602 /nfs/dbraw/zinc/29/46/02/1066294602.db2.gz YDGFWGJXGRXOME-IIBYNOLFSA-N 0 0 451.405 4.886 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 ZINC001546062672 1066295830 /nfs/dbraw/zinc/29/58/30/1066295830.db2.gz VIBCSMIDJNZDFW-BCHFMIIMSA-N 0 0 462.598 4.754 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361056127 1066295674 /nfs/dbraw/zinc/29/56/74/1066295674.db2.gz DEKSVJXQEVXZRL-UHFFFAOYSA-N 0 0 458.532 4.559 20 0 JJADRN CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1ncnn1CC(F)F)OC ZINC001545957130 1066296469 /nfs/dbraw/zinc/29/64/69/1066296469.db2.gz PKDPAIBENYVEOQ-CYBMUJFWSA-N 0 0 495.987 4.731 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2cccs2)no1 ZINC001361056347 1066296430 /nfs/dbraw/zinc/29/64/30/1066296430.db2.gz MTHQWGUFAHTUNQ-UHFFFAOYSA-N 0 0 491.404 4.676 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CC(Nc2ccc(F)cc2)C1)NCC1CCCCC1 ZINC001454526891 1066296745 /nfs/dbraw/zinc/29/67/45/1066296745.db2.gz LIMOIXKSRVBIRT-UHFFFAOYSA-N 0 0 455.599 4.551 20 0 JJADRN O=C(NCc1ccsc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454535939 1066296974 /nfs/dbraw/zinc/29/69/74/1066296974.db2.gz CYYLUPCWJFHYOL-UHFFFAOYSA-N 0 0 458.458 4.637 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)NCC(=O)c1cccc(F)c1Cl ZINC001454537768 1066297048 /nfs/dbraw/zinc/29/70/48/1066297048.db2.gz JAMBUKNLYQPWEV-UHFFFAOYSA-N 0 0 450.691 4.773 20 0 JJADRN CCON(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](C)c1cccc(Br)c1 ZINC001454537805 1066297282 /nfs/dbraw/zinc/29/72/82/1066297282.db2.gz GYGJRZAMJZLQBK-OUBFZGACSA-N 0 0 451.405 4.717 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[C@@H](F)C2)no1 ZINC001361056670 1066297138 /nfs/dbraw/zinc/29/71/38/1066297138.db2.gz YKTHRJNNBRNAAZ-ZIAGYGMSSA-N 0 0 466.330 4.918 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCCCO2)no1 ZINC001361056664 1066297143 /nfs/dbraw/zinc/29/71/43/1066297143.db2.gz YFFCNIMQGGXGJQ-HSZRJFAPSA-N 0 0 453.587 4.872 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@H](O)C2)no1 ZINC001361056702 1066297294 /nfs/dbraw/zinc/29/72/94/1066297294.db2.gz ZWYBGPRMSWUWGD-PBHICJAKSA-N 0 0 450.370 4.736 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361057232 1066297699 /nfs/dbraw/zinc/29/76/99/1066297699.db2.gz FPISPCGYLTVTFQ-UHFFFAOYSA-N 0 0 450.587 4.588 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC001361056815 1066297832 /nfs/dbraw/zinc/29/78/32/1066297832.db2.gz CIGRWFZLSMSYAV-UHFFFAOYSA-N 0 0 454.368 4.572 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccn3C)n2CCC2CCN(CC(F)(F)F)CC2)c1 ZINC001361057535 1066297942 /nfs/dbraw/zinc/29/79/42/1066297942.db2.gz LIBDILRIUGEQJX-UHFFFAOYSA-N 0 0 474.575 4.893 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(F)(F)F)no1 ZINC001361057662 1066298266 /nfs/dbraw/zinc/29/82/66/1066298266.db2.gz NYKWRABGLAZEGC-UHFFFAOYSA-N 0 0 459.476 4.652 20 0 JJADRN CCON(C(=O)c1nnn(-c2ccc(OC)cc2)c1C)[C@@H](C)c1cccc(Br)c1 ZINC001454541110 1066298369 /nfs/dbraw/zinc/29/83/69/1066298369.db2.gz LWFCRPMJKSYQHP-AWEZNQCLSA-N 0 0 459.344 4.502 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OC ZINC001443351550 1066298428 /nfs/dbraw/zinc/29/84/28/1066298428.db2.gz ADRLZTNPOORPRW-UHFFFAOYSA-N 0 0 459.384 4.823 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C(C)C)nc1)OC ZINC001545957331 1066298572 /nfs/dbraw/zinc/29/85/72/1066298572.db2.gz TYHYCHQQIVBFOC-LJQANCHMSA-N 0 0 473.419 4.682 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C(C)C)nc1)OC ZINC001545957330 1066298661 /nfs/dbraw/zinc/29/86/61/1066298661.db2.gz TYHYCHQQIVBFOC-IBGZPJMESA-N 0 0 473.419 4.682 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cn(-c2cccc(C)c2)nn1)C(F)(F)F ZINC001361059240 1066298885 /nfs/dbraw/zinc/29/88/85/1066298885.db2.gz FDSONVBPJNYMRX-NRFANRHFSA-N 0 0 455.440 4.839 20 0 JJADRN C[C@H]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C=O)c3)c2)CN1C(=O)OC(C)(C)C ZINC001454546330 1066299107 /nfs/dbraw/zinc/29/91/07/1066299107.db2.gz BCVFXWPLUPDRBZ-PGRDOPGGSA-N 0 0 452.551 4.596 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2ccccc2OCCOc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001454547220 1066299166 /nfs/dbraw/zinc/29/91/66/1066299166.db2.gz HQBYYQSTERFYBG-UXHICEINSA-N 0 0 454.567 4.662 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cccn3cc(C(F)(F)F)nc23)c1 ZINC001443355033 1066299124 /nfs/dbraw/zinc/29/91/24/1066299124.db2.gz FLSZFSFIDCATEW-UHFFFAOYSA-N 0 0 459.815 4.906 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(F)(F)F)c1 ZINC001361059855 1066299426 /nfs/dbraw/zinc/29/94/26/1066299426.db2.gz HCAFHKDWHBBLCH-SFHVURJKSA-N 0 0 467.536 4.900 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)c1 ZINC001361060103 1066299494 /nfs/dbraw/zinc/29/94/94/1066299494.db2.gz JRCFOWBBNVTHQL-INIZCTEOSA-N 0 0 451.518 4.641 20 0 JJADRN C[C@H]1CC[C@@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CN1C(=O)OC(C)(C)C ZINC001454549775 1066299878 /nfs/dbraw/zinc/29/98/78/1066299878.db2.gz SANMKXUULOPGJH-DOTOQJQBSA-N 0 0 451.995 4.964 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)co1 ZINC001443356733 1066300020 /nfs/dbraw/zinc/30/00/20/1066300020.db2.gz KECDBUWCRSWADG-UHFFFAOYSA-N 0 0 450.491 4.914 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)no1 ZINC001361060426 1066300076 /nfs/dbraw/zinc/30/00/76/1066300076.db2.gz NWDLOLLYULRRPJ-APWZRJJASA-N 0 0 478.366 4.578 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCCC3)n2Cc2ccc(COCC(F)(F)F)cc2)no1 ZINC001361060750 1066300487 /nfs/dbraw/zinc/30/04/87/1066300487.db2.gz UFKXCTOLJHSQOV-UHFFFAOYSA-N 0 0 463.504 4.996 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(Br)s2)c1 ZINC001361061478 1066301135 /nfs/dbraw/zinc/30/11/35/1066301135.db2.gz MTYDYDXJPPPYDU-KRWDZBQOSA-N 0 0 461.429 4.794 20 0 JJADRN Cc1cc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)no1 ZINC001361061630 1066301367 /nfs/dbraw/zinc/30/13/67/1066301367.db2.gz PYTZJQUNFAWSAO-UHFFFAOYSA-N 0 0 451.493 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC001454563192 1066301266 /nfs/dbraw/zinc/30/12/66/1066301266.db2.gz IFGKROTXUNLFBZ-GOSISDBHSA-N 0 0 453.986 4.601 20 0 JJADRN O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1)N1CCC(CCF)CC1 ZINC001454562635 1066301286 /nfs/dbraw/zinc/30/12/86/1066301286.db2.gz KMRUPIAKMDNUQW-UHFFFAOYSA-N 0 0 459.974 4.599 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1N ZINC001443359307 1066301425 /nfs/dbraw/zinc/30/14/25/1066301425.db2.gz PGIAKHPREMTAFD-UHFFFAOYSA-N 0 0 459.731 4.893 20 0 JJADRN CCN(CC)C(=O)c1ccc(OC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 ZINC001361062568 1066301530 /nfs/dbraw/zinc/30/15/30/1066301530.db2.gz ZDOINSVKEUUHOO-UHFFFAOYSA-N 0 0 454.548 4.837 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001361061663 1066301575 /nfs/dbraw/zinc/30/15/75/1066301575.db2.gz QYCUTUPGJMRSFN-LJQANCHMSA-N 0 0 474.531 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001454568183 1066301678 /nfs/dbraw/zinc/30/16/78/1066301678.db2.gz MTTFSRLMFSQDLN-GJZGRUSLSA-N 0 0 454.379 4.951 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(C)CC2)no1 ZINC001361061671 1066301896 /nfs/dbraw/zinc/30/18/96/1066301896.db2.gz RBUFXFHHLDKSCO-UHFFFAOYSA-N 0 0 458.607 4.516 20 0 JJADRN C[C@](O)(C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001443363389 1066302330 /nfs/dbraw/zinc/30/23/30/1066302330.db2.gz NOUUEIKUBDSMMZ-HSZRJFAPSA-N 0 0 455.436 4.778 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(CC)(CC)C1)OC ZINC001545957620 1066302427 /nfs/dbraw/zinc/30/24/27/1066302427.db2.gz YYBAFUPKNZIKEG-INIZCTEOSA-N 0 0 470.481 4.583 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@@]1(C)CC1(Br)Br ZINC001361063816 1066302849 /nfs/dbraw/zinc/30/28/49/1066302849.db2.gz SPXFDPXXMZTYNF-GOSISDBHSA-N 0 0 452.190 4.993 20 0 JJADRN CCc1ccc(-c2csc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC34CCOCC4)n2)cc1 ZINC001443372006 1066303139 /nfs/dbraw/zinc/30/31/39/1066303139.db2.gz OYIGEBADCFOECU-LJQANCHMSA-N 0 0 457.596 4.727 20 0 JJADRN CC1(c2ncc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)s2)OCCO1 ZINC001443375083 1066303502 /nfs/dbraw/zinc/30/35/02/1066303502.db2.gz YBRVAMZMWAGPEM-UHFFFAOYSA-N 0 0 452.355 4.501 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1 ZINC001443377602 1066303517 /nfs/dbraw/zinc/30/35/17/1066303517.db2.gz AQLDOQFCRGIYPB-QGZVFWFLSA-N 0 0 453.539 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC001443379545 1066303558 /nfs/dbraw/zinc/30/35/58/1066303558.db2.gz MBEBVSLHCXUSAZ-LJQANCHMSA-N 0 0 451.007 4.540 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1Cl ZINC001361065158 1066304828 /nfs/dbraw/zinc/30/48/28/1066304828.db2.gz HMTKEFJZVGIKHZ-FQEVSTJZSA-N 0 0 457.361 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC(C)(C)C1 ZINC001454581648 1066305065 /nfs/dbraw/zinc/30/50/65/1066305065.db2.gz QUHWTLLCLLYAHK-HNNXBMFYSA-N 0 0 454.493 4.509 20 0 JJADRN Cc1ccc(CCC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c(Br)c1 ZINC001361066008 1066305198 /nfs/dbraw/zinc/30/51/98/1066305198.db2.gz ORRUZKKIHYLUHU-UHFFFAOYSA-N 0 0 454.324 4.615 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 ZINC001361065733 1066305201 /nfs/dbraw/zinc/30/52/01/1066305201.db2.gz DHYXOKWUCILTQI-ZDUSSCGKSA-N 0 0 450.545 4.702 20 0 JJADRN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)C[C@@H](C)O1 ZINC000030575718 1066305292 /nfs/dbraw/zinc/30/52/92/1066305292.db2.gz DRBHJXQHXJRIJC-IAGOWNOFSA-N 0 0 456.612 4.523 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4)cn3)c2)cn1 ZINC001361065936 1066305409 /nfs/dbraw/zinc/30/54/09/1066305409.db2.gz LHAYUETWDPXLFP-UHFFFAOYSA-N 0 0 458.449 4.921 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCCc1c[nH]c3cccc(C)c13)N2C(=O)OC(C)(C)C ZINC001443390170 1066305639 /nfs/dbraw/zinc/30/56/39/1066305639.db2.gz JCNGZVDBSQTASC-JOCHJYFZSA-N 0 0 451.542 4.949 20 0 JJADRN Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)c21 ZINC001443396441 1066305652 /nfs/dbraw/zinc/30/56/52/1066305652.db2.gz ZANZBBRJYIACNT-HOYKHHGWSA-N 0 0 455.961 4.926 20 0 JJADRN O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CC(Oc2ccccc2)C1 ZINC001443399175 1066305943 /nfs/dbraw/zinc/30/59/43/1066305943.db2.gz PJZURMQWKGSRFP-UHFFFAOYSA-N 0 0 455.358 4.813 20 0 JJADRN CN(C)C(=O)NCCc1ccc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001454592725 1066306224 /nfs/dbraw/zinc/30/62/24/1066306224.db2.gz HJFFNYRSSNUJPE-UHFFFAOYSA-N 0 0 458.990 4.781 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cnc3cc[nH]c3c2)c2ccc(Br)cc21 ZINC001454592609 1066306354 /nfs/dbraw/zinc/30/63/54/1066306354.db2.gz FVWAENWYMRBBMM-HNNXBMFYSA-N 0 0 456.340 4.801 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CC(C)(C)c4cc(Cl)ccc43)cn2c1 ZINC001454592717 1066306369 /nfs/dbraw/zinc/30/63/69/1066306369.db2.gz HGZSJPUCSRGQNC-UHFFFAOYSA-N 0 0 454.958 4.950 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)c2ccc(Br)cc21 ZINC001454595383 1066306679 /nfs/dbraw/zinc/30/66/79/1066306679.db2.gz PFDIQRKBHLDGHE-HNNXBMFYSA-N 0 0 456.340 4.801 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)Cc2cccs2)no1 ZINC001361066771 1066306737 /nfs/dbraw/zinc/30/67/37/1066306737.db2.gz RNLQVBAGAPYIRW-MRXNPFEDSA-N 0 0 455.559 4.869 20 0 JJADRN Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCC2CCOCC2)no1 ZINC001361066845 1066307016 /nfs/dbraw/zinc/30/70/16/1066307016.db2.gz VKINVBQJZSWFIS-UHFFFAOYSA-N 0 0 462.019 4.973 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)c2ccc(Br)cc21 ZINC001454595386 1066306943 /nfs/dbraw/zinc/30/69/43/1066306943.db2.gz PFDIQRKBHLDGHE-OAHLLOKOSA-N 0 0 456.340 4.801 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSc2ccccc2)no1 ZINC001361066795 1066307079 /nfs/dbraw/zinc/30/70/79/1066307079.db2.gz SOXURFALIGHZIK-KDURUIRLSA-N 0 0 498.653 4.774 20 0 JJADRN COc1cc(CCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc(OC)c1O ZINC001454598672 1066307967 /nfs/dbraw/zinc/30/79/67/1066307967.db2.gz QEASYIZKWHGOSN-UHFFFAOYSA-N 0 0 453.442 4.518 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccnc2Cl)c2ccc(Br)cc21 ZINC001454598204 1066308161 /nfs/dbraw/zinc/30/81/61/1066308161.db2.gz XXRFNKHANXNULE-ZDUSSCGKSA-N 0 0 451.748 4.973 20 0 JJADRN O=C(c1cccnc1C(F)(F)F)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454598292 1066308257 /nfs/dbraw/zinc/30/82/57/1066308257.db2.gz DZEMCSOHNUKHFJ-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN CCCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361068418 1066308289 /nfs/dbraw/zinc/30/82/89/1066308289.db2.gz KWOWLGSVAJNSHK-LEWJYISDSA-N 0 0 456.048 4.870 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545958377 1066308830 /nfs/dbraw/zinc/30/88/30/1066308830.db2.gz BRKIJUOEEPCLQF-HOCLYGCPSA-N 0 0 481.439 4.575 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)C12CCCCC2 ZINC001361069171 1066308953 /nfs/dbraw/zinc/30/89/53/1066308953.db2.gz QETBZEOXMDCECI-VXKWHMMOSA-N 0 0 458.624 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)ccc2C1 ZINC001454608015 1066309163 /nfs/dbraw/zinc/30/91/63/1066309163.db2.gz GRKIVSCLODTWNE-UHFFFAOYSA-N 0 0 454.571 4.897 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)COc3ccc4c(c3)CCCC4)ccc2C1 ZINC001454607451 1066309466 /nfs/dbraw/zinc/30/94/66/1066309466.db2.gz ARJVENYEGKNDJL-UHFFFAOYSA-N 0 0 452.551 4.712 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cs1 ZINC001361070073 1066309568 /nfs/dbraw/zinc/30/95/68/1066309568.db2.gz BKIYUYZINCGKLL-VQTJNVASSA-N 0 0 499.656 4.964 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1(C)C ZINC001443420409 1066309408 /nfs/dbraw/zinc/30/94/08/1066309408.db2.gz ZPZYHDLRIATXGE-DFBJGRDBSA-N 0 0 455.555 4.911 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccc(Br)o2)no1 ZINC001361070769 1066310386 /nfs/dbraw/zinc/31/03/86/1066310386.db2.gz UKMLLNHXPOVCES-AWEZNQCLSA-N 0 0 490.333 4.894 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2sc(C)nc2C)C1 ZINC001546063796 1066310559 /nfs/dbraw/zinc/31/05/59/1066310559.db2.gz CFUNPECDTFANCM-HXUWFJFHSA-N 0 0 463.449 4.978 20 0 JJADRN COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC001454626406 1066310737 /nfs/dbraw/zinc/31/07/37/1066310737.db2.gz HLHJMIVVLYDKHJ-RUZDIDTESA-N 0 0 459.970 4.593 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)no1 ZINC001361070967 1066311036 /nfs/dbraw/zinc/31/10/36/1066311036.db2.gz ZUEZQVJENIIDEZ-GDBMZVCRSA-N 0 0 456.547 4.598 20 0 JJADRN O=C([C@@H](C[C@H]1COCCO1)C(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC001443434265 1066310992 /nfs/dbraw/zinc/31/09/92/1066310992.db2.gz SPIJKUXQEAXRNU-ZWKOTPCHSA-N 0 0 454.514 4.500 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545958609 1066311110 /nfs/dbraw/zinc/31/11/10/1066311110.db2.gz HRTWWWDTYSXSPZ-AWEZNQCLSA-N 0 0 496.452 4.708 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cc(Cl)ccn1)OC ZINC001545958542 1066311143 /nfs/dbraw/zinc/31/11/43/1066311143.db2.gz GFGGSBFDODEFPQ-QGZVFWFLSA-N 0 0 451.905 4.656 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCOC2)C1 ZINC001546063911 1066311195 /nfs/dbraw/zinc/31/11/95/1066311195.db2.gz FSAWZUIWTIXKMN-VFNWGFHPSA-N 0 0 451.384 4.900 20 0 JJADRN COc1cc(C=O)ccc1OCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001454626920 1066311273 /nfs/dbraw/zinc/31/12/73/1066311273.db2.gz IFEBVJZEQFKVRZ-QGZVFWFLSA-N 0 0 452.732 4.666 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545958610 1066311484 /nfs/dbraw/zinc/31/14/84/1066311484.db2.gz HRTWWWDTYSXSPZ-CQSZACIVSA-N 0 0 496.452 4.708 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cs1 ZINC001361071769 1066311837 /nfs/dbraw/zinc/31/18/37/1066311837.db2.gz OTZYYNLMBUFTQE-UHFFFAOYSA-N 0 0 473.046 4.647 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 ZINC001546063928 1066312048 /nfs/dbraw/zinc/31/20/48/1066312048.db2.gz GAFFSUOUWTWUAB-YKGWIAGDSA-N 0 0 490.471 4.589 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncnn2CC(F)F)cs1 ZINC001361071636 1066312092 /nfs/dbraw/zinc/31/20/92/1066312092.db2.gz LYNSLYMBIVENBY-UHFFFAOYSA-N 0 0 463.945 4.510 20 0 JJADRN CCOC(=O)c1csc(CNC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)n1 ZINC001443446396 1066312334 /nfs/dbraw/zinc/31/23/34/1066312334.db2.gz JIHVPBWWANXLSY-HNNXBMFYSA-N 0 0 451.592 4.949 20 0 JJADRN Cc1csc(Nc2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC34CCOCC4)cc2)n1 ZINC001443446983 1066312394 /nfs/dbraw/zinc/31/23/94/1066312394.db2.gz CSFIAMNYNOXMCW-GOSISDBHSA-N 0 0 458.584 4.550 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)c2ccc(F)cc2)no1 ZINC001361072013 1066312387 /nfs/dbraw/zinc/31/23/87/1066312387.db2.gz SUGCYNXYWSDJJQ-CYBMUJFWSA-N 0 0 459.323 4.717 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOC(C)(C)C)ccc1F ZINC001361071938 1066312571 /nfs/dbraw/zinc/31/25/71/1066312571.db2.gz REQZDDLJQKURAD-UHFFFAOYSA-N 0 0 464.383 4.783 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001454633427 1066312437 /nfs/dbraw/zinc/31/24/37/1066312437.db2.gz ORBWVIDOPGSSAH-WMLDXEAASA-N 0 0 453.505 4.929 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC001443449416 1066312838 /nfs/dbraw/zinc/31/28/38/1066312838.db2.gz LLXBZYLTKDUJPJ-UHFFFAOYSA-N 0 0 458.558 4.658 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC[C@@H]2CCOC2)C1 ZINC001546063979 1066313162 /nfs/dbraw/zinc/31/31/62/1066313162.db2.gz HDBUSWVJTDLOCL-FDDCHVKYSA-N 0 0 477.447 4.777 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Nc4ccccc4)c3)C2)s1 ZINC001443450652 1066313107 /nfs/dbraw/zinc/31/31/07/1066313107.db2.gz DTLRYNDYMAJMSM-GOSISDBHSA-N 0 0 455.605 4.840 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC001454633465 1066313357 /nfs/dbraw/zinc/31/33/57/1066313357.db2.gz KNJLEJBDUXUPFY-WJOKGBTCSA-N 0 0 459.955 4.857 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC001443453003 1066313455 /nfs/dbraw/zinc/31/34/55/1066313455.db2.gz RRSBILXBCKJHHI-UHFFFAOYSA-N 0 0 454.571 4.886 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492597887 1066313636 /nfs/dbraw/zinc/31/36/36/1066313636.db2.gz HNTVVHAWXDZXSM-CYFREDJKSA-N 0 0 478.584 4.576 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)C1 ZINC001443453234 1066313773 /nfs/dbraw/zinc/31/37/73/1066313773.db2.gz IAQHQIQTIMPKEL-SQGPQFPESA-N 0 0 476.568 4.729 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC001361073255 1066314025 /nfs/dbraw/zinc/31/40/25/1066314025.db2.gz DJMLBSODKDIVNI-UHFFFAOYSA-N 0 0 458.743 4.609 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001443457867 1066314189 /nfs/dbraw/zinc/31/41/89/1066314189.db2.gz YTXLPCAIKDNWIL-CQSZACIVSA-N 0 0 456.534 4.631 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001443457358 1066314206 /nfs/dbraw/zinc/31/42/06/1066314206.db2.gz MDVVVSGWBZJLDH-UXHICEINSA-N 0 0 452.599 4.937 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)c2)cn1 ZINC001361073800 1066314542 /nfs/dbraw/zinc/31/45/42/1066314542.db2.gz OBDFOKJSBBIPNE-CQSZACIVSA-N 0 0 459.424 4.767 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001361073538 1066314560 /nfs/dbraw/zinc/31/45/60/1066314560.db2.gz IPXBABCVBDABHZ-UHFFFAOYSA-N 0 0 450.470 4.666 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@@H](C)[C@H]2C)no1 ZINC001361074108 1066314961 /nfs/dbraw/zinc/31/49/61/1066314961.db2.gz XSXMTESJFSSFEB-OLZOCXBDSA-N 0 0 466.380 4.522 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)no1 ZINC001361074080 1066315197 /nfs/dbraw/zinc/31/51/97/1066315197.db2.gz WTCAZUHAGONJOA-SFHVURJKSA-N 0 0 453.587 4.718 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC001443465696 1066315086 /nfs/dbraw/zinc/31/50/86/1066315086.db2.gz YWXMCRTYPBZEAJ-LJQANCHMSA-N 0 0 453.608 4.657 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1C ZINC001443465690 1066315219 /nfs/dbraw/zinc/31/52/19/1066315219.db2.gz YWXMCRTYPBZEAJ-IBGZPJMESA-N 0 0 453.608 4.657 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@@H](C)[C@@H]2C)no1 ZINC001361074115 1066315698 /nfs/dbraw/zinc/31/56/98/1066315698.db2.gz XSXMTESJFSSFEB-STQMWFEESA-N 0 0 466.380 4.522 20 0 JJADRN C[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)N1CCCC[C@H]1C ZINC001443469519 1066315886 /nfs/dbraw/zinc/31/58/86/1066315886.db2.gz VFSJIBHEIOOTAE-MSOLQXFVSA-N 0 0 450.970 4.712 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)CSc2ccccc2Br)C1 ZINC001454656551 1066315841 /nfs/dbraw/zinc/31/58/41/1066315841.db2.gz OZAYRVXOJZGKKE-HNNXBMFYSA-N 0 0 457.434 4.837 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(OCC2CC2)CC1)OC ZINC001545959512 1066315980 /nfs/dbraw/zinc/31/59/80/1066315980.db2.gz XOHUKDIAKWYQDG-QGZVFWFLSA-N 0 0 481.410 4.667 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC001454656535 1066316236 /nfs/dbraw/zinc/31/62/36/1066316236.db2.gz OUJDLTHMAWJISL-LEWJYISDSA-N 0 0 450.023 4.600 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(C(F)(F)F)CC2)no1 ZINC001361076861 1066316502 /nfs/dbraw/zinc/31/65/02/1066316502.db2.gz CIXROFRJTUJWKX-UHFFFAOYSA-N 0 0 498.550 4.516 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)ccc1F ZINC001361077320 1066316776 /nfs/dbraw/zinc/31/67/76/1066316776.db2.gz NLQLJWPGJWVQDG-NHCUHLMSSA-N 0 0 487.620 4.504 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001454657420 1066316772 /nfs/dbraw/zinc/31/67/72/1066316772.db2.gz WBGYKHVTFLJWAS-PIPMEXSNSA-N 0 0 455.396 4.848 20 0 JJADRN Cc1c2cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)[nH]c2ccc1Br ZINC001443490410 1066317280 /nfs/dbraw/zinc/31/72/80/1066317280.db2.gz OXWWEDLUSSQBLS-NRFANRHFSA-N 0 0 450.377 4.662 20 0 JJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)n2)cc1 ZINC001443488883 1066317329 /nfs/dbraw/zinc/31/73/29/1066317329.db2.gz CHLWQHUSGMVLRS-UHFFFAOYSA-N 0 0 451.939 4.742 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCCCC2)no1 ZINC001361077389 1066317254 /nfs/dbraw/zinc/31/72/54/1066317254.db2.gz PFQIQHFLFGIRJR-GOSISDBHSA-N 0 0 458.607 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)CCCOc3ccc4c(c3)CCC4)sc2C1 ZINC001443492031 1066317580 /nfs/dbraw/zinc/31/75/80/1066317580.db2.gz GQRICSNALDXREX-UHFFFAOYSA-N 0 0 457.596 4.723 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C)C1)Oc1ccccc1F ZINC001545959225 1066317779 /nfs/dbraw/zinc/31/77/79/1066317779.db2.gz SABNMKDINKVXIY-BFYDXBDKSA-N 0 0 492.393 4.646 20 0 JJADRN COC(=O)[C@@H](CNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC001443491182 1066317833 /nfs/dbraw/zinc/31/78/33/1066317833.db2.gz RCKURTWWZMYNEK-MRXNPFEDSA-N 0 0 454.325 4.634 20 0 JJADRN Cc1cc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)CC2)cs1 ZINC001361078444 1066317917 /nfs/dbraw/zinc/31/79/17/1066317917.db2.gz UDGZVWAYJGTFOQ-YLJYHZDGSA-N 0 0 475.659 4.631 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CCC2)C1 ZINC001546064304 1066318182 /nfs/dbraw/zinc/31/81/82/1066318182.db2.gz MSJKSYJEGYUPFE-LJQANCHMSA-N 0 0 452.466 4.958 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H](OC)C(F)(F)F)C1 ZINC001546064274 1066318334 /nfs/dbraw/zinc/31/83/34/1066318334.db2.gz MJKWOQUISOKCFH-GCJKJVERSA-N 0 0 486.535 4.565 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H](OC)C(F)(F)F)C1 ZINC001546064275 1066318389 /nfs/dbraw/zinc/31/83/89/1066318389.db2.gz MJKWOQUISOKCFH-PGRDOPGGSA-N 0 0 486.535 4.565 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 ZINC001361079695 1066318489 /nfs/dbraw/zinc/31/84/89/1066318489.db2.gz YVXXEZNYJMDSRH-LJQANCHMSA-N 0 0 451.588 4.918 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@H]2CC[C@H](SC)C2)c(OC)c1 ZINC001361079122 1066318662 /nfs/dbraw/zinc/31/86/62/1066318662.db2.gz QOLLTGHJYBXBNR-ICSRJNTNSA-N 0 0 451.592 4.913 20 0 JJADRN CCc1c(NC(=O)c2cccc3c2OC(F)(F)O3)n[nH]c1-c1ccc(Br)cc1 ZINC001443495843 1066318740 /nfs/dbraw/zinc/31/87/40/1066318740.db2.gz GTYXLLDTJZOJSR-UHFFFAOYSA-N 0 0 450.239 4.975 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001492597940 1066318807 /nfs/dbraw/zinc/31/88/07/1066318807.db2.gz IBBWLOZJWNTBRM-OAQYLSRUSA-N 0 0 471.646 4.557 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCC2(F)F)C1 ZINC001546064339 1066318790 /nfs/dbraw/zinc/31/87/90/1066318790.db2.gz NBWIBRDFQBKWLJ-PGRDOPGGSA-N 0 0 466.598 4.801 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCC2(F)F)C1 ZINC001546064340 1066318909 /nfs/dbraw/zinc/31/89/09/1066318909.db2.gz NBWIBRDFQBKWLJ-XMSQKQJNSA-N 0 0 466.598 4.801 20 0 JJADRN CCc1c(NC(=O)c2cc(-c3ccccc3O)[nH]n2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493968 1066318970 /nfs/dbraw/zinc/31/89/70/1066318970.db2.gz BKEYNJYBLBIOMZ-UHFFFAOYSA-N 0 0 452.312 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1 ZINC001443503037 1066319331 /nfs/dbraw/zinc/31/93/31/1066319331.db2.gz HKDAOEYPXJMLRV-HWYHOQROSA-N 0 0 455.580 4.887 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1 ZINC001443503016 1066319534 /nfs/dbraw/zinc/31/95/34/1066319534.db2.gz HKDAOEYPXJMLRV-CXOKCQFOSA-N 0 0 455.580 4.887 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001454685711 1066319448 /nfs/dbraw/zinc/31/94/48/1066319448.db2.gz JTWFSUHBWKGPMT-TVZXLZGTSA-N 0 0 454.636 4.974 20 0 JJADRN Cc1cc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1F ZINC001361080848 1066319737 /nfs/dbraw/zinc/31/97/37/1066319737.db2.gz UWUUPJXNBCBPMO-JOCHJYFZSA-N 0 0 494.615 4.501 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@]3(O)CCCC(C)(C)CC3)cc2)c1C ZINC001454689058 1066320018 /nfs/dbraw/zinc/32/00/18/1066320018.db2.gz INEFNVCIWVZEFK-RUZDIDTESA-N 0 0 458.624 4.555 20 0 JJADRN CCc1c(NC(=O)c2cnc3c(cnn3C(C)C)c2)n[nH]c1-c1ccc(Br)cc1 ZINC001443500534 1066319850 /nfs/dbraw/zinc/31/98/50/1066319850.db2.gz PVFXKFUTTRYBKP-UHFFFAOYSA-N 0 0 453.344 4.980 20 0 JJADRN CC1(C)CCC[C@@](O)(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001454692921 1066320246 /nfs/dbraw/zinc/32/02/46/1066320246.db2.gz ZECHFBCVBUAUDQ-NRFANRHFSA-N 0 0 455.546 4.821 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCC(F)(F)CC2)C1 ZINC001546064505 1066320319 /nfs/dbraw/zinc/32/03/19/1066320319.db2.gz QQTWMTNNEWAPJR-HSZRJFAPSA-N 0 0 495.640 4.647 20 0 JJADRN Cc1cc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361081240 1066320373 /nfs/dbraw/zinc/32/03/73/1066320373.db2.gz KVXQYWMSMBPNCU-KRWDZBQOSA-N 0 0 459.660 4.875 20 0 JJADRN CCOc1ccc(-c2csc(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC001443505284 1066320705 /nfs/dbraw/zinc/32/07/05/1066320705.db2.gz UZSRELJBONBZCH-UHFFFAOYSA-N 0 0 452.532 4.972 20 0 JJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)n2)o1 ZINC001443508949 1066320775 /nfs/dbraw/zinc/32/07/75/1066320775.db2.gz VYMATNNCTXKBRX-UHFFFAOYSA-N 0 0 456.524 4.639 20 0 JJADRN Cc1nc(C)c(-c2csc(NC(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)n2)s1 ZINC001443507975 1066320793 /nfs/dbraw/zinc/32/07/93/1066320793.db2.gz JLWNSGKEQXTDRR-SMDDNHRTSA-N 0 0 452.602 4.582 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001546064577 1066321533 /nfs/dbraw/zinc/32/15/33/1066321533.db2.gz RXBPPPNAYBZXRC-GCCWUPBUSA-N 0 0 470.658 4.833 20 0 JJADRN COC(=O)[C@@]1(C)CN(C(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)C[C@@H]1C ZINC001454699173 1066322253 /nfs/dbraw/zinc/32/22/53/1066322253.db2.gz KUGZOCOYSXNHGR-BOMWANFPSA-N 0 0 464.587 4.893 20 0 JJADRN Cc1cc(Cn2c(N3CCC[C@H](OC(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)ccc1F ZINC001361083954 1066322091 /nfs/dbraw/zinc/32/20/91/1066322091.db2.gz JVDZSCHYJSNCHY-LVXARBLLSA-N 0 0 474.621 4.598 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001454705979 1066322516 /nfs/dbraw/zinc/32/25/16/1066322516.db2.gz FBUGHRCZGCIJJP-AFDCHOCNSA-N 0 0 471.598 4.509 20 0 JJADRN CCc1csc(-n2cc(C(=O)NC[C@H](C)Sc3ccc(Br)cc3)cn2)n1 ZINC001443526045 1066322624 /nfs/dbraw/zinc/32/26/24/1066322624.db2.gz AEPJJQUKDUHDOH-LBPRGKRZSA-N 0 0 451.415 4.564 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1Br ZINC001443520820 1066322762 /nfs/dbraw/zinc/32/27/62/1066322762.db2.gz VJACLBYLGUWLFJ-UHFFFAOYSA-N 0 0 456.268 4.835 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC001443520729 1066322831 /nfs/dbraw/zinc/32/28/31/1066322831.db2.gz TWNBWQBNCCQGLT-LJQANCHMSA-N 0 0 450.583 4.736 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001454706796 1066323349 /nfs/dbraw/zinc/32/33/49/1066323349.db2.gz GIUGOHFTAYKZLG-UHOSZYNNSA-N 0 0 450.457 4.758 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001443530149 1066323385 /nfs/dbraw/zinc/32/33/85/1066323385.db2.gz DUQJLMRLQUQLJJ-UHFFFAOYSA-N 0 0 453.590 4.580 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001454709158 1066323668 /nfs/dbraw/zinc/32/36/68/1066323668.db2.gz DWZKGTIJLKETOR-ICSRJNTNSA-N 0 0 454.567 4.646 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 ZINC001361084931 1066323675 /nfs/dbraw/zinc/32/36/75/1066323675.db2.gz BBLDGNPBSIQWHB-PMACEKPBSA-N 0 0 458.649 4.504 20 0 JJADRN CSc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccc(F)c(F)c2)c1 ZINC001361085047 1066323750 /nfs/dbraw/zinc/32/37/50/1066323750.db2.gz FATVEKQNZPTOOG-UUOWRZLLSA-N 0 0 452.526 4.945 20 0 JJADRN C[C@@H](CNC(=O)c1cnnn1-c1ccccc1Cl)Sc1ccc(Br)cc1 ZINC001443531708 1066323720 /nfs/dbraw/zinc/32/37/20/1066323720.db2.gz NZLMBROMEQTXMW-LBPRGKRZSA-N 0 0 451.777 4.594 20 0 JJADRN CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 ZINC001454708498 1066323731 /nfs/dbraw/zinc/32/37/31/1066323731.db2.gz UJGWACMFMUZMDK-RRQZXNHTSA-N 0 0 450.579 4.576 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 ZINC001454709117 1066324048 /nfs/dbraw/zinc/32/40/48/1066324048.db2.gz PDDRZMJWVZFADN-IRXDYDNUSA-N 0 0 453.530 4.975 20 0 JJADRN C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(I)c(Br)c1 ZINC001361085261 1066324306 /nfs/dbraw/zinc/32/43/06/1066324306.db2.gz LDRHIZFWHMEOGI-LLVKDONJSA-N 0 0 456.121 4.641 20 0 JJADRN CC[C@]1(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CCCN1C(=O)OC(C)(C)C ZINC001443531960 1066324357 /nfs/dbraw/zinc/32/43/57/1066324357.db2.gz ODMJRACSTCCEGB-AREMUKBSSA-N 0 0 454.615 4.658 20 0 JJADRN C[C@H](CNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)Sc1ccc(Br)cc1 ZINC001443531722 1066324519 /nfs/dbraw/zinc/32/45/19/1066324519.db2.gz OEVGVQLVLFEGKN-JVDULTGUSA-N 0 0 456.446 4.800 20 0 JJADRN Cc1c(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cccc1C(=O)N1CCCC1 ZINC001361086402 1066324582 /nfs/dbraw/zinc/32/45/82/1066324582.db2.gz NKVVXIZKHSUJQC-UHFFFAOYSA-N 0 0 457.452 4.973 20 0 JJADRN Cc1ccc(O)cc1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001454713275 1066324908 /nfs/dbraw/zinc/32/49/08/1066324908.db2.gz PTEMNAORRHMNGI-UHFFFAOYSA-N 0 0 456.951 4.748 20 0 JJADRN CSc1cccc([C@H](NC(=O)Cc2cnn(-c3ccccc3)n2)c2ccc(F)c(F)c2)c1 ZINC001361085803 1066324722 /nfs/dbraw/zinc/32/47/22/1066324722.db2.gz RFEIIACRTDNSSM-DEOSSOPVSA-N 0 0 450.514 4.716 20 0 JJADRN CC[C@H](C)[C@H](C(=O)NCC1(c2c(F)cccc2F)CCCC1)N1C(=O)c2ccccc2C1=O ZINC001361085837 1066324805 /nfs/dbraw/zinc/32/48/05/1066324805.db2.gz GUQAGXYENGZTHC-KSFYIVLOSA-N 0 0 454.517 4.604 20 0 JJADRN CCN1C(=S)N=NC1C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC001443533300 1066324910 /nfs/dbraw/zinc/32/49/10/1066324910.db2.gz LLTAWZFCDAPYNO-UHFFFAOYSA-N 0 0 452.546 4.824 20 0 JJADRN CSCC1(CC(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)CC1 ZINC001361087143 1066325071 /nfs/dbraw/zinc/32/50/71/1066325071.db2.gz ZTOBUKYIQIKHET-UHFFFAOYSA-N 0 0 453.427 4.677 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC001443534381 1066325518 /nfs/dbraw/zinc/32/55/18/1066325518.db2.gz ZAOQKTXVNPEZHB-LLVKDONJSA-N 0 0 454.340 4.682 20 0 JJADRN CCCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001454718143 1066326060 /nfs/dbraw/zinc/32/60/60/1066326060.db2.gz YJJZGNWBMGMNCX-UHFFFAOYSA-N 0 0 452.595 4.970 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CC(C)(C)C(C)C)CC2)no1 ZINC001361087343 1066326250 /nfs/dbraw/zinc/32/62/50/1066326250.db2.gz HPHPDMVTUFJVKU-UHFFFAOYSA-N 0 0 471.049 4.823 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3F)ccc2C)cc1 ZINC001454719424 1066326251 /nfs/dbraw/zinc/32/62/51/1066326251.db2.gz QFGVTFVYCLIQHZ-UHFFFAOYSA-N 0 0 458.511 4.595 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H](CCO)c3ccc(Cl)c(F)c3)c12 ZINC001454720520 1066326427 /nfs/dbraw/zinc/32/64/27/1066326427.db2.gz GYQCJHXLUBMQGG-QGZVFWFLSA-N 0 0 458.946 4.651 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCCCC2)C1 ZINC001546064794 1066326529 /nfs/dbraw/zinc/32/65/29/1066326529.db2.gz WGBYYVRIVDVTKT-RSXGOPAZSA-N 0 0 462.679 4.932 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1C[C@H]1OCC[C@H]1C ZINC001361087479 1066326652 /nfs/dbraw/zinc/32/66/52/1066326652.db2.gz MAHWJLGDNYHXBF-LKUPVBHCSA-N 0 0 465.063 4.618 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)Cc2cnccn2)sc1C ZINC001361087392 1066326930 /nfs/dbraw/zinc/32/69/30/1066326930.db2.gz JDEGERIKWDXZLR-UHFFFAOYSA-N 0 0 498.056 4.800 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C1 ZINC001546064838 1066326928 /nfs/dbraw/zinc/32/69/28/1066326928.db2.gz XFFFUUAPWXXHTB-QHCPKHFHSA-N 0 0 475.565 4.664 20 0 JJADRN CCCCc1ccc(-c2csc(NC(=O)C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001443541003 1066327178 /nfs/dbraw/zinc/32/71/78/1066327178.db2.gz PZEYRHPEGRMXKM-XMMPIXPASA-N 0 0 459.612 4.853 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1ccco1 ZINC001361087533 1066327277 /nfs/dbraw/zinc/32/72/77/1066327277.db2.gz NHXVNSBERWNOJQ-IBGZPJMESA-N 0 0 458.990 4.756 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1cc(-c2cccc(Br)c2)no1 ZINC001454731130 1066327443 /nfs/dbraw/zinc/32/74/43/1066327443.db2.gz OEESVNNAKZNXNE-INIZCTEOSA-N 0 0 455.230 4.586 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1cc(Cl)c(N)c(Cl)c1)Cc1ccccc1 ZINC001454731744 1066327820 /nfs/dbraw/zinc/32/78/20/1066327820.db2.gz ADPSUYLYTGLSFH-MRXNPFEDSA-N 0 0 452.382 4.832 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCCCCC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001361087815 1066327980 /nfs/dbraw/zinc/32/79/80/1066327980.db2.gz CXNYGPBHVTWBKT-CPJSRVTESA-N 0 0 477.049 4.562 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCO[C@H](C)C2)n1CC[C@H]1CCCCO1 ZINC001361087696 1066328040 /nfs/dbraw/zinc/32/80/40/1066328040.db2.gz AUENBXKHCHUNQX-IFMALSPDSA-N 0 0 477.049 4.826 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCNC(=O)[C@@H]1CSC[C@H]1c1ccccc1)Cc1ccccc1 ZINC001454732267 1066328078 /nfs/dbraw/zinc/32/80/78/1066328078.db2.gz BJDGPFMFFGOUSM-XPWALMASSA-N 0 0 454.636 4.776 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001361087879 1066328472 /nfs/dbraw/zinc/32/84/72/1066328472.db2.gz PXHQRDMZQMRVNJ-TWHAJKEOSA-N 0 0 491.076 4.806 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2(C)C)n1CCC1(O)CCOCC1 ZINC001361088074 1066328825 /nfs/dbraw/zinc/32/88/25/1066328825.db2.gz FQWQFLVVZFMMOY-UHFFFAOYSA-N 0 0 477.049 4.562 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1)Cc1ccncc1 ZINC001443550258 1066329120 /nfs/dbraw/zinc/32/91/20/1066329120.db2.gz XNSFRBOGIBJJRM-NRFANRHFSA-N 0 0 459.571 4.671 20 0 JJADRN O=C(Nc1ccc(OC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1)c1ccsc1 ZINC001443567296 1066329469 /nfs/dbraw/zinc/32/94/69/1066329469.db2.gz PKHIGCKRBDLENE-PXLXIMEGSA-N 0 0 458.495 4.970 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001454741007 1066329782 /nfs/dbraw/zinc/32/97/82/1066329782.db2.gz RXPRNEGRWBVNLE-LJQANCHMSA-N 0 0 451.876 4.684 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001454744215 1066330185 /nfs/dbraw/zinc/33/01/85/1066330185.db2.gz RVUMEWVRTHGFPV-CYBMUJFWSA-N 0 0 454.684 4.760 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001443578101 1066330389 /nfs/dbraw/zinc/33/03/89/1066330389.db2.gz FANSBIHGEJJXPO-NRJQMVOHSA-N 0 0 450.535 4.887 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC001443576873 1066330500 /nfs/dbraw/zinc/33/05/00/1066330500.db2.gz GFNIGBNCWFFSQF-UHFFFAOYSA-N 0 0 453.539 4.988 20 0 JJADRN CCCNC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)CC1 ZINC001443578204 1066330636 /nfs/dbraw/zinc/33/06/36/1066330636.db2.gz HPJLUZQFHBHTRI-UHFFFAOYSA-N 0 0 450.970 4.571 20 0 JJADRN Cc1cc(C(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccc(F)cc2n1 ZINC001454745858 1066330581 /nfs/dbraw/zinc/33/05/81/1066330581.db2.gz YOAOKTLHKCBWHF-HXUWFJFHSA-N 0 0 451.542 4.938 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001454748079 1066331245 /nfs/dbraw/zinc/33/12/45/1066331245.db2.gz QBSJLGWOBDMAJO-BTYIYWSLSA-N 0 0 452.979 4.584 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H]1OCCC1(C)C ZINC001361088365 1066331095 /nfs/dbraw/zinc/33/10/95/1066331095.db2.gz UGQIEZGUCXYSJN-KNQAVFIVSA-N 0 0 477.049 4.539 20 0 JJADRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1cccc(F)c1O ZINC001454751896 1066331323 /nfs/dbraw/zinc/33/13/23/1066331323.db2.gz AZIOEOKYXVGOHS-UHFFFAOYSA-N 0 0 458.902 4.815 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001454764349 1066331822 /nfs/dbraw/zinc/33/18/22/1066331822.db2.gz SRYJINCOUBSZNA-GGPKGHCWSA-N 0 0 462.775 4.582 20 0 JJADRN C[C@@H]1c2ccc(C(=O)Nc3ccc([C@H](O)C(F)(F)F)cc3)n2CCN1C(=O)OC(C)(C)C ZINC001454767366 1066331861 /nfs/dbraw/zinc/33/18/61/1066331861.db2.gz HKXBOSADNKVDTM-ACJLOTCBSA-N 0 0 453.461 4.648 20 0 JJADRN CC1(c2ncc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)nc3)s2)OCCO1 ZINC001443584259 1066332466 /nfs/dbraw/zinc/33/24/66/1066332466.db2.gz GNQZJIBIBKCSKJ-UHFFFAOYSA-N 0 0 451.426 4.821 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)CCc2cccc3c2OCO3)NC(=O)OC(C)(C)C)cc1 ZINC001443585809 1066333027 /nfs/dbraw/zinc/33/30/27/1066333027.db2.gz PAPGJRWMOADJMH-OAQYLSRUSA-N 0 0 454.567 4.854 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 ZINC001443587944 1066333250 /nfs/dbraw/zinc/33/32/50/1066333250.db2.gz RMCKAVNYSNTESR-DHJUGAMNSA-N 0 0 454.542 4.812 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)n1 ZINC001454776606 1066333545 /nfs/dbraw/zinc/33/35/45/1066333545.db2.gz GCEHSCGSTBQSAD-UHFFFAOYSA-N 0 0 451.592 4.838 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088956 1066333546 /nfs/dbraw/zinc/33/35/46/1066333546.db2.gz NSRPQPPVBPAJHH-IBGZPJMESA-N 0 0 469.033 4.750 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088957 1066333647 /nfs/dbraw/zinc/33/36/47/1066333647.db2.gz NSRPQPPVBPAJHH-LJQANCHMSA-N 0 0 469.033 4.750 20 0 JJADRN CCC1(C(=O)N(C)CCc2ccc(Br)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC001443590391 1066334137 /nfs/dbraw/zinc/33/41/37/1066334137.db2.gz IKCORAMVPJGXFY-UHFFFAOYSA-N 0 0 457.412 4.783 20 0 JJADRN Cc1ncsc1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001361089169 1066334160 /nfs/dbraw/zinc/33/41/60/1066334160.db2.gz QBMVHGGHYCZXSH-HDICACEKSA-N 0 0 490.073 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC001454813077 1066334480 /nfs/dbraw/zinc/33/44/80/1066334480.db2.gz AYXITAXKISJDSK-PDFPEKILSA-N 0 0 455.530 4.921 20 0 JJADRN Cc1c(C(=O)N2CCC(Cc3ccccc3Cl)CC2)nnn1CCOc1ccc(F)cc1 ZINC001454814660 1066334650 /nfs/dbraw/zinc/33/46/50/1066334650.db2.gz AUIBTAUZNYQYAJ-UHFFFAOYSA-N 0 0 456.949 4.553 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545960430 1066334675 /nfs/dbraw/zinc/33/46/75/1066334675.db2.gz CQVXUEKXOOMXCX-TZIWHRDSSA-N 0 0 487.645 4.510 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001361089186 1066334738 /nfs/dbraw/zinc/33/47/38/1066334738.db2.gz QFSKBNPXYXCBIP-FNZWTVRRSA-N 0 0 488.076 4.602 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccc(C)n(C)c1=O ZINC001361089220 1066334839 /nfs/dbraw/zinc/33/48/39/1066334839.db2.gz QVHPATVPDJGALW-GHTZIAJQSA-N 0 0 498.071 4.932 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@]1(O)CCSC1 ZINC001361089229 1066334881 /nfs/dbraw/zinc/33/48/81/1066334881.db2.gz QYHNAKWXGPORBN-NXMSCROESA-N 0 0 479.090 4.602 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CO)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001361089209 1066334963 /nfs/dbraw/zinc/33/49/63/1066334963.db2.gz QNYKWFSCLBOVIK-SFTDATJTSA-N 0 0 491.076 4.665 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC4(CCCCCC4)[C@@H]3C(C)C)cc(C(C)C)nc21 ZINC001454822260 1066335075 /nfs/dbraw/zinc/33/50/75/1066335075.db2.gz KGGCLKOUADCCKE-NRFANRHFSA-N 0 0 454.615 4.852 20 0 JJADRN CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001443597113 1066335184 /nfs/dbraw/zinc/33/51/84/1066335184.db2.gz BCEVMCLSOWAMHP-DEOSSOPVSA-N 0 0 451.592 4.828 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC1CC1 ZINC001361089349 1066335126 /nfs/dbraw/zinc/33/51/26/1066335126.db2.gz ROOMQJBCXLGMBD-UHFFFAOYSA-N 0 0 488.076 4.746 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001454820627 1066335266 /nfs/dbraw/zinc/33/52/66/1066335266.db2.gz ZYNHTRWWWZWKSW-XYVMCAHJSA-N 0 0 456.505 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001454831056 1066336187 /nfs/dbraw/zinc/33/61/87/1066336187.db2.gz KOVWFAVMDXXGOL-UHFFFAOYSA-N 0 0 457.546 4.948 20 0 JJADRN CCN(C(=O)CCn1sc2ccccc2c1=O)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443603533 1066336345 /nfs/dbraw/zinc/33/63/45/1066336345.db2.gz KGDDVPQGBJMNTD-QHCPKHFHSA-N 0 0 453.514 4.764 20 0 JJADRN C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454856983 1066336746 /nfs/dbraw/zinc/33/67/46/1066336746.db2.gz WGKLDFFIZPPUEX-CYBMUJFWSA-N 0 0 450.377 4.696 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443607168 1066336781 /nfs/dbraw/zinc/33/67/81/1066336781.db2.gz WYVDOFIGHBAXNL-ATIYNZHBSA-N 0 0 455.574 4.931 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546065868 1066337106 /nfs/dbraw/zinc/33/71/06/1066337106.db2.gz BDVONRCODDJBNK-HJPURHCSSA-N 0 0 463.026 4.875 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC3(C2)CCOCC3)n1C[C@](C)(O)C(C)C ZINC001361089667 1066337378 /nfs/dbraw/zinc/33/73/78/1066337378.db2.gz ZIENBIFRENARFE-VWLOTQADSA-N 0 0 491.076 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC001443609212 1066337319 /nfs/dbraw/zinc/33/73/19/1066337319.db2.gz LEFLCMHJFPMNSP-FQEVSTJZSA-N 0 0 452.551 4.986 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC001443612406 1066337489 /nfs/dbraw/zinc/33/74/89/1066337489.db2.gz YKYPNMRVJVQJQF-UHFFFAOYSA-N 0 0 455.308 4.616 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1NS(C)(=O)=O ZINC001454880492 1066337442 /nfs/dbraw/zinc/33/74/42/1066337442.db2.gz QZINVEURMSWTGB-SFHVURJKSA-N 0 0 454.514 4.794 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001546065958 1066337926 /nfs/dbraw/zinc/33/79/26/1066337926.db2.gz CTYKRTQJRPVFNW-HSZRJFAPSA-N 0 0 476.463 4.805 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3CC[C@@H](c4ccccc4F)C3(C)C)cc21 ZINC001454882075 1066338031 /nfs/dbraw/zinc/33/80/31/1066338031.db2.gz SCSFGEUIVGGDMI-PKOBYXMFSA-N 0 0 456.562 4.790 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CC[C@H]1CCOC1 ZINC001361090405 1066338496 /nfs/dbraw/zinc/33/84/96/1066338496.db2.gz COYRBIIHGBIDAQ-NZQKXSOJSA-N 0 0 477.049 4.539 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546066045 1066338754 /nfs/dbraw/zinc/33/87/54/1066338754.db2.gz FQXDTKMFFUGDLC-XHCCPWGMSA-N 0 0 473.506 4.943 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546066068 1066338990 /nfs/dbraw/zinc/33/89/90/1066338990.db2.gz GKGVIICLNGDSHV-DWXRJYCRSA-N 0 0 485.629 4.598 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546066071 1066339065 /nfs/dbraw/zinc/33/90/65/1066339065.db2.gz GKGVIICLNGDSHV-WXTAPIANSA-N 0 0 485.629 4.598 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1C ZINC001443622942 1066339228 /nfs/dbraw/zinc/33/92/28/1066339228.db2.gz ZNZXDEIHQXASOC-UHFFFAOYSA-N 0 0 451.548 4.623 20 0 JJADRN Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 ZINC001443628288 1066339404 /nfs/dbraw/zinc/33/94/04/1066339404.db2.gz IALBWEPOOZWLGY-VGOFRKELSA-N 0 0 451.567 4.572 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001361090776 1066339652 /nfs/dbraw/zinc/33/96/52/1066339652.db2.gz JTDCVDUGULXVJG-KPFFTGBYSA-N 0 0 483.003 4.894 20 0 JJADRN O=C(NCc1ccc(Br)cn1)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001454893681 1066339644 /nfs/dbraw/zinc/33/96/44/1066339644.db2.gz NPWFKRSNOUKECM-JOCHJYFZSA-N 0 0 456.359 4.501 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ncnn2C(C)(C)C)C1 ZINC001546066187 1066339932 /nfs/dbraw/zinc/33/99/32/1066339932.db2.gz IJJCEHFNQRSGRU-QFIPXVFZSA-N 0 0 490.425 4.868 20 0 JJADRN CC(C)(C(=O)N1CCN(c2ccccc2)C(=O)C1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001454893620 1066340005 /nfs/dbraw/zinc/34/00/05/1066340005.db2.gz NAKIVRXUPBTPGP-UHFFFAOYSA-N 0 0 457.958 4.756 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC001454897082 1066340411 /nfs/dbraw/zinc/34/04/11/1066340411.db2.gz YTCQJVLCPPZTIK-RBUKOAKNSA-N 0 0 453.583 4.987 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001546066243 1066340500 /nfs/dbraw/zinc/34/05/00/1066340500.db2.gz JJQPPEIASSIQFU-SANMLTNESA-N 0 0 466.630 4.798 20 0 JJADRN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 ZINC001443631798 1066340672 /nfs/dbraw/zinc/34/06/72/1066340672.db2.gz GRKGLMWCZNZSEQ-UHFFFAOYSA-N 0 0 450.969 4.629 20 0 JJADRN Cc1coc(C)c1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1Nc1cnn(C)c1 ZINC001361091559 1066340931 /nfs/dbraw/zinc/34/09/31/1066340931.db2.gz QRSDFFAMCOZSEP-UHFFFAOYSA-N 0 0 454.962 4.987 20 0 JJADRN Cc1cc2c(CC(=O)N3C[C@H](C(=O)OC(C)(C)C)C[C@H](c4cnn(C)c4)C3)csc2s1 ZINC001454904014 1066340865 /nfs/dbraw/zinc/34/08/65/1066340865.db2.gz CJEKTJFCCQAJDF-JKSUJKDBSA-N 0 0 459.637 4.521 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1CCC1CCOCC1 ZINC001361091558 1066341006 /nfs/dbraw/zinc/34/10/06/1066341006.db2.gz QQHWOVFSSHWLCR-UHFFFAOYSA-N 0 0 465.063 4.621 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)C1 ZINC001546066551 1066341325 /nfs/dbraw/zinc/34/13/25/1066341325.db2.gz QISQKZPHAJUNSW-QGZVFWFLSA-N 0 0 453.435 4.604 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C)C2)n1CC1(O)CCCCCC1 ZINC001361091601 1066341613 /nfs/dbraw/zinc/34/16/13/1066341613.db2.gz RGEQCODNHKJZMC-HXUWFJFHSA-N 0 0 477.049 4.562 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCOC2)C1 ZINC001546066538 1066341514 /nfs/dbraw/zinc/34/15/14/1066341514.db2.gz QBYCZBAZYNFDGL-AOMKIAJQSA-N 0 0 463.420 4.769 20 0 JJADRN CON(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC001454916283 1066341853 /nfs/dbraw/zinc/34/18/53/1066341853.db2.gz AXGIUIOWHKYLGG-KBPBESRZSA-N 0 0 454.976 4.737 20 0 JJADRN Cc1ccccc1C1=NO[C@@H](C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)C1 ZINC001443637864 1066341949 /nfs/dbraw/zinc/34/19/49/1066341949.db2.gz ZQAQOUOAOBPUMV-HSZRJFAPSA-N 0 0 454.933 4.596 20 0 JJADRN COCCCn1cc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001361091945 1066342520 /nfs/dbraw/zinc/34/25/20/1066342520.db2.gz XKTFDOULEIBVDC-HSZRJFAPSA-N 0 0 456.384 4.570 20 0 JJADRN Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001454922906 1066342481 /nfs/dbraw/zinc/34/24/81/1066342481.db2.gz PQGRMHPGUOCZBI-HSZRJFAPSA-N 0 0 450.476 4.815 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCc1cn[nH]c1 ZINC001361092158 1066342844 /nfs/dbraw/zinc/34/28/44/1066342844.db2.gz ZYPZAUJFLQQMOF-ROUUACIJSA-N 0 0 475.062 4.548 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCc1cn[nH]c1 ZINC001361092159 1066343108 /nfs/dbraw/zinc/34/31/08/1066343108.db2.gz ZYPZAUJFLQQMOF-ZWKOTPCHSA-N 0 0 475.062 4.548 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCc1cn[nH]c1 ZINC001361092156 1066343186 /nfs/dbraw/zinc/34/31/86/1066343186.db2.gz ZYPZAUJFLQQMOF-MSOLQXFVSA-N 0 0 475.062 4.548 20 0 JJADRN CCOC(=O)c1cc(CNC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)on1 ZINC001454932725 1066343409 /nfs/dbraw/zinc/34/34/09/1066343409.db2.gz YFZCXMYRWSDISV-UHFFFAOYSA-N 0 0 453.545 4.562 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@](C)=O)CCC2)C1 ZINC001546066616 1066343466 /nfs/dbraw/zinc/34/34/66/1066343466.db2.gz RLPWKMUGTNDRSM-DFXYEROKSA-N 0 0 495.487 4.644 20 0 JJADRN O=C(NCC[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)o2)c2ccccc21)C(F)(F)F ZINC001454937613 1066343736 /nfs/dbraw/zinc/34/37/36/1066343736.db2.gz WNULBIONQAWBDR-SNVBAGLBSA-N 0 0 452.376 4.704 20 0 JJADRN CC(=O)N/C(=C\c1cccs1)C(=O)N(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001443644693 1066343808 /nfs/dbraw/zinc/34/38/08/1066343808.db2.gz OOIYRURAUKCEEN-MOSHPQCFSA-N 0 0 454.573 4.600 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443642442 1066343988 /nfs/dbraw/zinc/34/39/88/1066343988.db2.gz RMHJXQKBRPXGEO-IXCJQBJRSA-N 0 0 455.602 4.761 20 0 JJADRN C[C@H](CC(=O)NCCCNC(=O)c1ccc(Br)cc1)Cc1ccc(Cl)cc1 ZINC001361094115 1066344437 /nfs/dbraw/zinc/34/44/37/1066344437.db2.gz TUEYMYWZXBNZHP-HNNXBMFYSA-N 0 0 451.792 4.608 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncnn2C(C)(C)C)C1 ZINC001546066791 1066345090 /nfs/dbraw/zinc/34/50/90/1066345090.db2.gz VAONCCUYDBCOPO-QHCPKHFHSA-N 0 0 458.010 4.628 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC2CCOCC2)C1 ZINC001546066745 1066345244 /nfs/dbraw/zinc/34/52/44/1066345244.db2.gz UJAVXQLXVSIUBK-QHCPKHFHSA-N 0 0 477.447 4.920 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443659070 1066345859 /nfs/dbraw/zinc/34/58/59/1066345859.db2.gz ZLNXEWSHVQNXSE-JEJOPICUSA-N 0 0 454.970 4.657 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccccc1SCc1c(C)noc1C)Cc1cccc(C)c1 ZINC001443666590 1066346170 /nfs/dbraw/zinc/34/61/70/1066346170.db2.gz IOWBZGZKXWYCNF-FQEVSTJZSA-N 0 0 452.576 4.654 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001443664170 1066346290 /nfs/dbraw/zinc/34/62/90/1066346290.db2.gz MMNGLCCVAOCXQO-RXFWQSSRSA-N 0 0 454.567 4.866 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(CSC)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964501 1066346877 /nfs/dbraw/zinc/34/68/77/1066346877.db2.gz PIVASTVFODZFMQ-RBBKRZOGSA-N 0 0 474.598 4.830 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccccc4)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966804 1066347052 /nfs/dbraw/zinc/34/70/52/1066347052.db2.gz YMTHHEAQZQMUOE-LEWJYISDSA-N 0 0 479.602 4.952 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@H]3SCCc4ccccc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966880 1066347174 /nfs/dbraw/zinc/34/71/74/1066347174.db2.gz ZHKZOPGEEGKXRU-ZRBLBEILSA-N 0 0 468.619 4.545 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@](C)(CO)Cc3ccc(Cl)cc3)c21 ZINC001454967240 1066347226 /nfs/dbraw/zinc/34/72/26/1066347226.db2.gz QBHKKTQBOGJUOA-DEOSSOPVSA-N 0 0 453.926 4.983 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@H]2CCc3ccccc32)c2cc(F)ccc2F)c1 ZINC001361096788 1066347255 /nfs/dbraw/zinc/34/72/55/1066347255.db2.gz PNJYKFKFZBIFMS-NSYGIPOTSA-N 0 0 455.526 4.694 20 0 JJADRN O=C(NCc1n[nH]cc1Br)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001443672013 1066347329 /nfs/dbraw/zinc/34/73/29/1066347329.db2.gz VPNMKKABXWVUQO-QGZVFWFLSA-N 0 0 455.139 4.916 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(OC)cc(Cl)c3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454969150 1066347479 /nfs/dbraw/zinc/34/74/79/1066347479.db2.gz GZGBSZVTJCRPPT-AZUAARDMSA-N 0 0 478.948 4.629 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001443672389 1066347657 /nfs/dbraw/zinc/34/76/57/1066347657.db2.gz HCLBMXKMIWPDML-TZIWHRDSSA-N 0 0 453.505 4.591 20 0 JJADRN Cc1ccc(/C=C\CC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001361097238 1066347656 /nfs/dbraw/zinc/34/76/56/1066347656.db2.gz ZURPKMMLFUCKNG-GZWUMCHYSA-N 0 0 455.526 4.986 20 0 JJADRN C[C@@]1(C(F)(F)F)CN(C(=O)c2ccc(COc3ccccc3Br)cc2)CCO1 ZINC001454974251 1066348057 /nfs/dbraw/zinc/34/80/57/1066348057.db2.gz MEFWYBHNSSHWMH-IBGZPJMESA-N 0 0 458.274 4.822 20 0 JJADRN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)CCCCOc1ccc(Br)cc1 ZINC001454970569 1066348386 /nfs/dbraw/zinc/34/83/86/1066348386.db2.gz UUIZBBTVISYSIA-OAQYLSRUSA-N 0 0 454.792 4.762 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)Cc1cccc(C)c1 ZINC001443678893 1066348152 /nfs/dbraw/zinc/34/81/52/1066348152.db2.gz ZLQRZYWEEWTOOH-CQSZACIVSA-N 0 0 458.274 4.538 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CCC[C@@H]21)OC ZINC001545960990 1066348704 /nfs/dbraw/zinc/34/87/04/1066348704.db2.gz MVCLPLBQGPPXJI-YRNRMSPPSA-N 0 0 463.420 4.910 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)cc1C ZINC001454974458 1066348810 /nfs/dbraw/zinc/34/88/10/1066348810.db2.gz LGCMWTNQVJPYRS-FQEVSTJZSA-N 0 0 450.579 4.997 20 0 JJADRN Cc1cccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)s2)c1 ZINC001361099155 1066348855 /nfs/dbraw/zinc/34/88/55/1066348855.db2.gz BGDFWXPITFKBJA-UHFFFAOYSA-N 0 0 452.971 4.959 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067072 1066348935 /nfs/dbraw/zinc/34/89/35/1066348935.db2.gz AOEBJQPKJVOFSO-QZTJIDSGSA-N 0 0 456.411 4.732 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443682596 1066349387 /nfs/dbraw/zinc/34/93/87/1066349387.db2.gz ULVSZGHDZQLELM-UHFFFAOYSA-N 0 0 456.757 4.792 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2CCN(C)CC(F)(F)F)c1 ZINC001361100081 1066349750 /nfs/dbraw/zinc/34/97/50/1066349750.db2.gz WHWJZDFGDUCGIG-UHFFFAOYSA-N 0 0 485.352 4.617 20 0 JJADRN Cc1cncc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001454984573 1066349859 /nfs/dbraw/zinc/34/98/59/1066349859.db2.gz AZYDSZYROTXGDX-JOCHJYFZSA-N 0 0 455.967 4.822 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc3scc(Br)c3c2)C1 ZINC001443686131 1066350456 /nfs/dbraw/zinc/35/04/56/1066350456.db2.gz GOTNCSONYSEEDE-LBPRGKRZSA-N 0 0 451.415 4.584 20 0 JJADRN O=C(CNC(=O)c1cc2ccccc2[nH]1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001443686065 1066350493 /nfs/dbraw/zinc/35/04/93/1066350493.db2.gz HOYAFLYAUDGHRB-UHFFFAOYSA-N 0 0 459.468 4.768 20 0 JJADRN O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1nc2ccc(Br)cn2c1F ZINC001443689610 1066350533 /nfs/dbraw/zinc/35/05/33/1066350533.db2.gz ONWRFNYBRLQBKW-SFHVURJKSA-N 0 0 454.299 4.786 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)c2cccc(C)c2)s1 ZINC001361101764 1066350897 /nfs/dbraw/zinc/35/08/97/1066350897.db2.gz RLJHYSBSGHIJCJ-HXUWFJFHSA-N 0 0 498.653 4.784 20 0 JJADRN Cc1nnc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)c2cccc(C)c2)s1 ZINC001361101365 1066350949 /nfs/dbraw/zinc/35/09/49/1066350949.db2.gz IYBSMJXDKSHRNU-UHFFFAOYSA-N 0 0 483.642 4.677 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cn2)cc1 ZINC001443696428 1066351465 /nfs/dbraw/zinc/35/14/65/1066351465.db2.gz CZOVCCUFCJUOEQ-UHFFFAOYSA-N 0 0 452.433 4.654 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361102036 1066351563 /nfs/dbraw/zinc/35/15/63/1066351563.db2.gz WHTURHKZNSDYDA-DCFHFQCYSA-N 0 0 495.624 4.970 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)n2)cc1 ZINC001443697605 1066352055 /nfs/dbraw/zinc/35/20/55/1066352055.db2.gz PKFNBQDOFFDQME-UHFFFAOYSA-N 0 0 458.603 4.944 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3CC3(CC(C)C)CC3)CC2)nc(C(C)C)n1 ZINC001361102968 1066352575 /nfs/dbraw/zinc/35/25/75/1066352575.db2.gz MGORDTVNHIJEGA-UHFFFAOYSA-N 0 0 453.679 4.950 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccncc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361103136 1066352598 /nfs/dbraw/zinc/35/25/98/1066352598.db2.gz SXJROPGIMFQVPJ-JOCHJYFZSA-N 0 0 476.625 4.987 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2CCCOCC2CCOCC2)cs1 ZINC001361103076 1066352704 /nfs/dbraw/zinc/35/27/04/1066352704.db2.gz QBAKOJIMVMABDL-UHFFFAOYSA-N 0 0 455.628 4.543 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2Cc2ccnc(OC(F)F)c2)cs1 ZINC001361103123 1066352724 /nfs/dbraw/zinc/35/27/24/1066352724.db2.gz SIRCSNYZAHQVFI-UHFFFAOYSA-N 0 0 456.522 4.755 20 0 JJADRN COC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1cccc(Br)c1 ZINC001455008818 1066352962 /nfs/dbraw/zinc/35/29/62/1066352962.db2.gz VNOZIRIWVNGDEX-DLBZAZTESA-N 0 0 457.409 4.582 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C(=O)c1ccccc1 ZINC001455009786 1066353062 /nfs/dbraw/zinc/35/30/62/1066353062.db2.gz YHFOZGNKKKMNIZ-OAQYLSRUSA-N 0 0 452.551 4.581 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccc(SC)cc1 ZINC001361103737 1066353360 /nfs/dbraw/zinc/35/33/60/1066353360.db2.gz HBFWHQSECLCEGH-QFIPXVFZSA-N 0 0 452.532 4.639 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)C)CC2)nc(C(C)C)n1 ZINC001361105379 1066354395 /nfs/dbraw/zinc/35/43/95/1066354395.db2.gz IBGDPYZYKQMVCT-UHFFFAOYSA-N 0 0 454.022 4.803 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067503 1066354672 /nfs/dbraw/zinc/35/46/72/1066354672.db2.gz SPONHEKPTQYWPE-GOSISDBHSA-N 0 0 457.424 4.657 20 0 JJADRN CCOC(=O)[C@H](CC=C(C)C)NC(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001455034422 1066354878 /nfs/dbraw/zinc/35/48/78/1066354878.db2.gz SCLRWRDGTCFWRY-INIZCTEOSA-N 0 0 450.295 4.805 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001455039026 1066354891 /nfs/dbraw/zinc/35/48/91/1066354891.db2.gz OJKBJCHGSIYBLG-SZMVWBNQSA-N 0 0 450.963 4.867 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 ZINC001361105615 1066355022 /nfs/dbraw/zinc/35/50/22/1066355022.db2.gz QBJSUFZJUJTAMO-GOSISDBHSA-N 0 0 496.729 4.984 20 0 JJADRN Cc1cc(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)sc1Br ZINC001455047123 1066355189 /nfs/dbraw/zinc/35/51/89/1066355189.db2.gz LHMWOTHWZLBPDL-UHFFFAOYSA-N 0 0 450.402 4.523 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001455044952 1066355240 /nfs/dbraw/zinc/35/52/40/1066355240.db2.gz HTTJLPBPLKUWOB-HXUWFJFHSA-N 0 0 451.633 4.716 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361106099 1066355693 /nfs/dbraw/zinc/35/56/93/1066355693.db2.gz BAVRXEVUDRWXPG-WOJBJXKFSA-N 0 0 469.630 4.673 20 0 JJADRN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1(C)C ZINC001361106092 1066355704 /nfs/dbraw/zinc/35/57/04/1066355704.db2.gz DAUJPSQCEJWXFJ-XXBNENTESA-N 0 0 459.384 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)c1cc2ccccc2s1 ZINC001455055162 1066355781 /nfs/dbraw/zinc/35/57/81/1066355781.db2.gz QFZUYEFJDRHVHZ-LJQANCHMSA-N 0 0 450.560 4.562 20 0 JJADRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC001443714332 1066355758 /nfs/dbraw/zinc/35/57/58/1066355758.db2.gz CJPMNHXNFLCPFN-SILNSSARSA-N 0 0 451.611 4.830 20 0 JJADRN CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1(C)C ZINC001361106922 1066355954 /nfs/dbraw/zinc/35/59/54/1066355954.db2.gz MYMQOKJWRBYBKB-HFZDXXHNSA-N 0 0 457.615 4.832 20 0 JJADRN CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1(C)C ZINC001361106962 1066356158 /nfs/dbraw/zinc/35/61/58/1066356158.db2.gz MYMQOKJWRBYBKB-LVXARBLLSA-N 0 0 457.615 4.832 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Oc3cccc(OC)c3)nn2-c2ccccc2)cc1 ZINC001361106549 1066356174 /nfs/dbraw/zinc/35/61/74/1066356174.db2.gz IGVYWHRUSUXQKI-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3sc(C)cc3Br)CC2)nc1C ZINC001455056673 1066356207 /nfs/dbraw/zinc/35/62/07/1066356207.db2.gz LOMOOCXREREUQO-UHFFFAOYSA-N 0 0 457.415 4.780 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361108281 1066357042 /nfs/dbraw/zinc/35/70/42/1066357042.db2.gz VLMQHUJZXBAEAB-FGZHOGPDSA-N 0 0 479.625 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC(c3ccc(Cl)cn3)CC2)C1 ZINC001455069457 1066357448 /nfs/dbraw/zinc/35/74/48/1066357448.db2.gz QORQTDKSCKIZTR-OAQYLSRUSA-N 0 0 455.986 4.976 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361108483 1066357332 /nfs/dbraw/zinc/35/73/32/1066357332.db2.gz ZHODHWGWHSSSNR-NNMXDRDESA-N 0 0 469.630 4.671 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443724457 1066357367 /nfs/dbraw/zinc/35/73/67/1066357367.db2.gz GJVLMOCNYAGEFN-OAHLLOKOSA-N 0 0 456.326 4.777 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C2CCC(C)CC2)c1 ZINC001361108485 1066357621 /nfs/dbraw/zinc/35/76/21/1066357621.db2.gz ZIRCMXYYQXODBN-CKHPTIKVSA-N 0 0 462.598 4.716 20 0 JJADRN COc1ccc(C2CC2)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001455077296 1066357647 /nfs/dbraw/zinc/35/76/47/1066357647.db2.gz IPDHLAHBMMQVHK-UHFFFAOYSA-N 0 0 458.486 4.904 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C2CCC(C)CC2)c1 ZINC001361108486 1066357847 /nfs/dbraw/zinc/35/78/47/1066357847.db2.gz ZIRCMXYYQXODBN-VEDCXYSMSA-N 0 0 462.598 4.716 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC001443726751 1066358007 /nfs/dbraw/zinc/35/80/07/1066358007.db2.gz FHUMRYCLHYUTKZ-KRWDZBQOSA-N 0 0 454.542 4.822 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)cc1 ZINC001455081680 1066358507 /nfs/dbraw/zinc/35/85/07/1066358507.db2.gz MVMGGMCRJZBVRQ-AWNIVKPZSA-N 0 0 454.324 4.772 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361109694 1066358587 /nfs/dbraw/zinc/35/85/87/1066358587.db2.gz DNRUUYVTKQWCBG-QDMVCWPOSA-N 0 0 492.611 4.822 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)nc21 ZINC001455080559 1066358556 /nfs/dbraw/zinc/35/85/56/1066358556.db2.gz GQIXUWLGWHEWNN-HNNXBMFYSA-N 0 0 454.552 4.505 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccc3c2OCCCO3)cc1)c1ccc(Br)o1 ZINC001455086222 1066358919 /nfs/dbraw/zinc/35/89/19/1066358919.db2.gz PDWHTFCVOHLZLW-UHFFFAOYSA-N 0 0 457.280 4.708 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)c1 ZINC001361110347 1066359378 /nfs/dbraw/zinc/35/93/78/1066359378.db2.gz NAJYSBOCNZRKFN-XPNTWCBSSA-N 0 0 499.656 4.741 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)n1 ZINC001361110370 1066359394 /nfs/dbraw/zinc/35/93/94/1066359394.db2.gz NISWBTKYCRJXRZ-VWNXMTODSA-N 0 0 480.657 4.700 20 0 JJADRN COc1cc(C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)ccc1OCc1ccccc1Cl ZINC001455088440 1066359451 /nfs/dbraw/zinc/35/94/51/1066359451.db2.gz FDFRLUMJDOQJMU-UHFFFAOYSA-N 0 0 459.951 4.892 20 0 JJADRN O=C(CCC(=O)N[C@@H](Cc1cccnc1)C1CCCC1)Nc1nnc(C2CCCCC2)s1 ZINC001455095524 1066359560 /nfs/dbraw/zinc/35/95/60/1066359560.db2.gz WGLIBZVBEHZMFZ-FQEVSTJZSA-N 0 0 455.628 4.617 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[nH]c(C)c1C(=O)OC ZINC001443730613 1066359559 /nfs/dbraw/zinc/35/95/59/1066359559.db2.gz QVTUUCMXTMYRSV-QGZVFWFLSA-N 0 0 457.329 4.722 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001443732110 1066359862 /nfs/dbraw/zinc/35/98/62/1066359862.db2.gz LMBDQZTWAGHOMT-HXUWFJFHSA-N 0 0 458.558 4.668 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598145 1066359834 /nfs/dbraw/zinc/35/98/34/1066359834.db2.gz JTDSEIRQJCUMOV-VIICAESSSA-N 0 0 488.698 4.672 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cc(I)ccc2C)c1C ZINC001361110699 1066360283 /nfs/dbraw/zinc/36/02/83/1066360283.db2.gz KNKNVTFFTPBBAO-UHFFFAOYSA-N 0 0 453.320 4.713 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001443732193 1066360414 /nfs/dbraw/zinc/36/04/14/1066360414.db2.gz MECFWXHHFSAJDY-MOPGFXCFSA-N 0 0 455.382 4.788 20 0 JJADRN COC(=O)c1c(C)sc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC001455100438 1066360407 /nfs/dbraw/zinc/36/04/07/1066360407.db2.gz PPVUGGDHLUVINM-UHFFFAOYSA-N 0 0 458.561 4.513 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC001455099154 1066360455 /nfs/dbraw/zinc/36/04/55/1066360455.db2.gz ONFNRSHICLFZDE-HHHXNRCGSA-N 0 0 456.627 4.928 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001546068643 1066360540 /nfs/dbraw/zinc/36/05/40/1066360540.db2.gz SWUNIXDXYBCXBY-WIYYLYMNSA-N 0 0 450.484 4.926 20 0 JJADRN CN1CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)Cc2cccnc21 ZINC001455100990 1066360613 /nfs/dbraw/zinc/36/06/13/1066360613.db2.gz REEGDZCGPYSGOD-UHFFFAOYSA-N 0 0 452.352 4.515 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC001455099156 1066360684 /nfs/dbraw/zinc/36/06/84/1066360684.db2.gz ONFNRSHICLFZDE-MHZLTWQESA-N 0 0 456.627 4.928 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccn3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546068673 1066360895 /nfs/dbraw/zinc/36/08/95/1066360895.db2.gz UBESTQRJDQTOPP-QFIPXVFZSA-N 0 0 456.388 4.786 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)C1)C(=O)OC(C)(C)C ZINC001443735626 1066361636 /nfs/dbraw/zinc/36/16/36/1066361636.db2.gz YFPHJOLGRMPMMZ-INIZCTEOSA-N 0 0 456.505 4.722 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001455103608 1066361705 /nfs/dbraw/zinc/36/17/05/1066361705.db2.gz VKKZPFCYJLPRNL-FQRUVTKNSA-N 0 0 454.615 4.721 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1 ZINC001443749609 1066362027 /nfs/dbraw/zinc/36/20/27/1066362027.db2.gz CEMNAWQVRFJYTF-UHFFFAOYSA-N 0 0 450.560 4.575 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001455106039 1066361849 /nfs/dbraw/zinc/36/18/49/1066361849.db2.gz GAKLALIOGHXDQD-MRXNPFEDSA-N 0 0 452.527 4.684 20 0 JJADRN Cn1c(C(=O)NCc2noc3cc(F)ccc23)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001455108190 1066361900 /nfs/dbraw/zinc/36/19/00/1066361900.db2.gz MZNYHAYKFUJYHU-LJQANCHMSA-N 0 0 456.518 4.698 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@]3(C)C3CCCCC3)ccc2C)cc1 ZINC001455107096 1066361965 /nfs/dbraw/zinc/36/19/65/1066361965.db2.gz DLWCALILZQBQQT-VWLOTQADSA-N 0 0 456.608 4.989 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361111811 1066362093 /nfs/dbraw/zinc/36/20/93/1066362093.db2.gz CEKFELUQBQPSEM-JYFHCDHNSA-N 0 0 456.631 4.675 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCC3CCC(c4ccccc4)CC3)[nH]n2)C1 ZINC001443742975 1066362186 /nfs/dbraw/zinc/36/21/86/1066362186.db2.gz IYIJKZMTVQEBIK-MNLRITNHSA-N 0 0 452.599 4.838 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2CCCn2cc(Br)cn2)o1 ZINC001361111870 1066362281 /nfs/dbraw/zinc/36/22/81/1066362281.db2.gz DLPIOGPLSASBEI-UHFFFAOYSA-N 0 0 499.413 4.719 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCS2)c1 ZINC001361111819 1066362515 /nfs/dbraw/zinc/36/25/15/1066362515.db2.gz CLINITJHNFXPJR-LJQANCHMSA-N 0 0 490.471 4.765 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccccc2[nH]1 ZINC001443755779 1066362613 /nfs/dbraw/zinc/36/26/13/1066362613.db2.gz JTYWEHUBZYEEJX-UHFFFAOYSA-N 0 0 452.580 4.659 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCC[C@H](C)C1 ZINC001443760158 1066362969 /nfs/dbraw/zinc/36/29/69/1066362969.db2.gz NIBBHRFDZSBJFI-LRXVAGHRSA-N 0 0 455.599 4.744 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCC[C@H](C)C1 ZINC001443760155 1066363180 /nfs/dbraw/zinc/36/31/80/1066363180.db2.gz NIBBHRFDZSBJFI-LQBOVUBWSA-N 0 0 455.599 4.744 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cnccn3)n2CCc2csc(C(C)(C)C)n2)c1 ZINC001361112419 1066363301 /nfs/dbraw/zinc/36/33/01/1066363301.db2.gz VZBVYIIIPCOPFQ-UHFFFAOYSA-N 0 0 477.638 4.555 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(C)c(Br)c(Cl)c2)n1 ZINC001361112702 1066363374 /nfs/dbraw/zinc/36/33/74/1066363374.db2.gz GCZGPUWARPZVQI-LLVKDONJSA-N 0 0 450.720 4.961 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361112468 1066363498 /nfs/dbraw/zinc/36/34/98/1066363498.db2.gz XPMVLJVTMOACOL-HSZRJFAPSA-N 0 0 479.625 4.964 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001443764715 1066364315 /nfs/dbraw/zinc/36/43/15/1066364315.db2.gz HSGMRLMQLLXHPW-INIZCTEOSA-N 0 0 453.797 4.979 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)NCc3ccnc(Oc4cccc(C)c4C)c3)CC2=O)cc1 ZINC001361113157 1066364285 /nfs/dbraw/zinc/36/42/85/1066364285.db2.gz PBHHNOYTTPEBBP-OAQYLSRUSA-N 0 0 459.546 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2ccnc(OCc3ccccc3)c2)(c2ccccc2)C1 ZINC001455140061 1066364763 /nfs/dbraw/zinc/36/47/63/1066364763.db2.gz VIRDPFPMYOUHHX-UHFFFAOYSA-N 0 0 459.546 4.537 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001443767281 1066364782 /nfs/dbraw/zinc/36/47/82/1066364782.db2.gz KTWRUNCKBVZNAN-HOTGVXAUSA-N 0 0 453.332 4.822 20 0 JJADRN Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)c2C)no1 ZINC001443769014 1066365124 /nfs/dbraw/zinc/36/51/24/1066365124.db2.gz IIWADPWNDNYLLR-UHFFFAOYSA-N 0 0 455.580 4.890 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)c1 ZINC001361113810 1066365057 /nfs/dbraw/zinc/36/50/57/1066365057.db2.gz SSRVQIQZMSILPW-PKTZIBPZSA-N 0 0 497.640 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001455143949 1066365093 /nfs/dbraw/zinc/36/50/93/1066365093.db2.gz LRCZGGCUSRFJBC-KSSFIOAISA-N 0 0 459.484 4.942 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCc2csc(C(C)C)n2)c1 ZINC001361113927 1066365315 /nfs/dbraw/zinc/36/53/15/1066365315.db2.gz XJEZIZHJKOVMSG-OAQYLSRUSA-N 0 0 455.628 4.776 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001361114141 1066365609 /nfs/dbraw/zinc/36/56/09/1066365609.db2.gz CANIJLVAPMPYLB-RKVPGOIHSA-N 0 0 457.409 4.518 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)s2)c1 ZINC001361113972 1066365624 /nfs/dbraw/zinc/36/56/24/1066365624.db2.gz YFPWCQYZILBEBF-UHFFFAOYSA-N 0 0 453.999 4.851 20 0 JJADRN O=C(NCCN=[S@](=O)(c1ccccc1)C(F)(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC001455147208 1066365800 /nfs/dbraw/zinc/36/58/00/1066365800.db2.gz QDEBPBPSFSDMGR-LJAQVGFWSA-N 0 0 456.820 4.718 20 0 JJADRN C[C@H](CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)N(C)C(=O)OC(C)(C)C ZINC001443769926 1066365718 /nfs/dbraw/zinc/36/57/18/1066365718.db2.gz OSBVGFJLDXLVME-OXQOHEQNSA-N 0 0 456.002 4.768 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CC3(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001443770476 1066365738 /nfs/dbraw/zinc/36/57/38/1066365738.db2.gz SUPPMSHVONAXBA-FZOAFFARSA-N 0 0 450.579 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC001455160933 1066366686 /nfs/dbraw/zinc/36/66/86/1066366686.db2.gz SORCROVMFMZPGV-QFIPXVFZSA-N 0 0 450.988 4.891 20 0 JJADRN O=C(CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1sc2ccccc2c1Cl ZINC001455162937 1066366703 /nfs/dbraw/zinc/36/67/03/1066366703.db2.gz IFRXSAYNZVSSMD-OAHLLOKOSA-N 0 0 458.942 4.545 20 0 JJADRN CC[C@H]1[C@H](C(=O)NCC(=O)c2sc3ccccc3c2Cl)CCN1C(=O)OC(C)(C)C ZINC001455158686 1066366864 /nfs/dbraw/zinc/36/68/64/1066366864.db2.gz KOQZUTRYGHJRIN-HIFRSBDPSA-N 0 0 450.988 4.889 20 0 JJADRN CC(C)Cc1ccc([C@@H](NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001455164316 1066366896 /nfs/dbraw/zinc/36/68/96/1066366896.db2.gz AYNUJHYRYBBJDJ-HSZRJFAPSA-N 0 0 458.624 4.788 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)CC2)s1 ZINC001361115440 1066366865 /nfs/dbraw/zinc/36/68/65/1066366865.db2.gz KNDBNKOQNAFESW-KRWDZBQOSA-N 0 0 485.629 4.515 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1F ZINC001443777297 1066367442 /nfs/dbraw/zinc/36/74/42/1066367442.db2.gz VISHEWAEUHNGRH-QFIPXVFZSA-N 0 0 457.571 4.705 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOC(C)(C)C)CC2)s1 ZINC001361116535 1066367558 /nfs/dbraw/zinc/36/75/58/1066367558.db2.gz FNIYIIVMUQVKKY-UHFFFAOYSA-N 0 0 488.057 4.746 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccccc4)n3CCSC(F)(F)F)CC2)s1 ZINC001361116880 1066367837 /nfs/dbraw/zinc/36/78/37/1066367837.db2.gz SEWANXWYRKAHQZ-UHFFFAOYSA-N 0 0 481.569 4.530 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3c4ccccc4CC[C@@H]3F)c2)cc1F ZINC001455171922 1066367976 /nfs/dbraw/zinc/36/79/76/1066367976.db2.gz USLLLHBPESWAIH-GMAHTHKFSA-N 0 0 456.514 4.690 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c(C(C)C)c2)cc1 ZINC001455169133 1066368116 /nfs/dbraw/zinc/36/81/16/1066368116.db2.gz VFHZNUZAICZQQI-UHFFFAOYSA-N 0 0 454.548 4.602 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@@H]1COCCN1C1CCCC1 ZINC001443784769 1066367866 /nfs/dbraw/zinc/36/78/66/1066367866.db2.gz AKFLJFDBJMFDLP-SFHVURJKSA-N 0 0 453.436 4.614 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCc3ccc(Cl)s3)CC2)s1 ZINC001361116543 1066368031 /nfs/dbraw/zinc/36/80/31/1066368031.db2.gz FSHWEPBAHKRWMH-UHFFFAOYSA-N 0 0 478.087 4.767 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C(C)C)CC2)cc1 ZINC001361117013 1066368476 /nfs/dbraw/zinc/36/84/76/1066368476.db2.gz XFDBRRYEKVURFU-UHFFFAOYSA-N 0 0 460.626 4.602 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001361117041 1066368504 /nfs/dbraw/zinc/36/85/04/1066368504.db2.gz YQBCQWYKQFOEEK-UHFFFAOYSA-N 0 0 451.640 4.556 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC001443787010 1066368564 /nfs/dbraw/zinc/36/85/64/1066368564.db2.gz IIBCVSIDYDDUEV-NRFANRHFSA-N 0 0 456.308 4.822 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)C[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)no1 ZINC001443786058 1066368613 /nfs/dbraw/zinc/36/86/13/1066368613.db2.gz GEWZDSXCWAFEMM-INIZCTEOSA-N 0 0 458.559 4.569 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001455186629 1066368505 /nfs/dbraw/zinc/36/85/05/1066368505.db2.gz JBBZEQRIXLJMLZ-UMEGOILYSA-N 0 0 458.599 4.649 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[C@@H]3CCCCO3)cc2)c(C)c1C ZINC001546069805 1066368771 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WSOCOAGDEIZQQD-UKILVPOCSA-N 0 0 454.636 4.599 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCOc3cccc(F)c3)CC2)s1 ZINC001361118335 1066370078 /nfs/dbraw/zinc/37/00/78/1066370078.db2.gz XDWAAPQCCDXLHO-UHFFFAOYSA-N 0 0 485.629 4.562 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(C)C)CC2)cc1 ZINC001361119660 1066370373 /nfs/dbraw/zinc/37/03/73/1066370373.db2.gz HXRACQFWABPUCF-UHFFFAOYSA-N 0 0 467.017 4.604 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)[C@H](NC(=O)NCc3ccc(F)cc3)C(C)C)cc2)nc1 ZINC001443811255 1066370574 /nfs/dbraw/zinc/37/05/74/1066370574.db2.gz YRURYRSJRIYYLW-HSZRJFAPSA-N 0 0 450.514 4.784 20 0 JJADRN Nc1cc(F)c(Br)cc1C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001455208841 1066370766 /nfs/dbraw/zinc/37/07/66/1066370766.db2.gz OEUSPCKHHGUOGK-UHFFFAOYSA-N 0 0 450.533 4.559 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001455211444 1066370806 /nfs/dbraw/zinc/37/08/06/1066370806.db2.gz TYFMZYWXXGDSMC-CPHMMYSSSA-N 0 0 471.823 4.820 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001455212038 1066370839 /nfs/dbraw/zinc/37/08/39/1066370839.db2.gz LXYYJJMPFYAXHL-MAUKXSAKSA-N 0 0 458.358 4.625 20 0 JJADRN COC(=O)c1cc(CNC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)n(C)c1C ZINC001455209285 1066370891 /nfs/dbraw/zinc/37/08/91/1066370891.db2.gz ZOIPTHRZZYLQNN-UHFFFAOYSA-N 0 0 451.523 4.550 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCC[C@]3(CC=CCC3)C2)cc1F ZINC001361119823 1066370870 /nfs/dbraw/zinc/37/08/70/1066370870.db2.gz BSPAXNCJCLGGML-AREMUKBSSA-N 0 0 453.606 4.681 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CCNC(=O)c2ccc(C)cc2)o1 ZINC001361120334 1066371014 /nfs/dbraw/zinc/37/10/14/1066371014.db2.gz SOEVGRCCGDYLBW-UHFFFAOYSA-N 0 0 498.381 4.577 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N(Cc2ccco2)Cc2ccco2)cc1 ZINC001361121048 1066371354 /nfs/dbraw/zinc/37/13/54/1066371354.db2.gz XFJGFRIQSVDPIJ-UHFFFAOYSA-N 0 0 475.593 4.998 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455218305 1066371403 /nfs/dbraw/zinc/37/14/03/1066371403.db2.gz IXZBTEWPHYRXAX-MJGOQNOKSA-N 0 0 454.901 4.657 20 0 JJADRN COC(=O)[C@H](CNC(=O)Cc1cc(Br)ccc1C)Cc1cccc2ccccc21 ZINC001443818328 1066371398 /nfs/dbraw/zinc/37/13/98/1066371398.db2.gz MTDQBBGJZSSLAA-FQEVSTJZSA-N 0 0 454.364 4.601 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CC[C@H](SC)C2)cc1OC ZINC001361122130 1066371816 /nfs/dbraw/zinc/37/18/16/1066371816.db2.gz GMEGGQCDARFJOW-UXHICEINSA-N 0 0 451.592 4.630 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)C2(c3ccc(C(C)C)cc3)CCC2)ccc1Cl ZINC001361121420 1066371872 /nfs/dbraw/zinc/37/18/72/1066371872.db2.gz JOOOHCGPUYALNC-UHFFFAOYSA-N 0 0 450.988 4.706 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)CCOc3cc(Cl)ccc3Cl)C2)nc1C ZINC001455219365 1066372103 /nfs/dbraw/zinc/37/21/03/1066372103.db2.gz GDCWEVXYIFJPJT-CYBMUJFWSA-N 0 0 457.379 4.720 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)CC[C@@H]2C)cc1F ZINC001361122659 1066372306 /nfs/dbraw/zinc/37/23/06/1066372306.db2.gz NDRCLCQZAPHNND-GUBFDYSESA-N 0 0 485.648 4.699 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1 ZINC001443824905 1066372355 /nfs/dbraw/zinc/37/23/55/1066372355.db2.gz SDVJXPVONQWJHU-UHFFFAOYSA-N 0 0 451.386 4.704 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(N3Cc4ccoc4CC(C)(C)C3)nnc2C(C)(C)C)cc1F ZINC001361122202 1066372590 /nfs/dbraw/zinc/37/25/90/1066372590.db2.gz FOPXOKLGEFONBI-UHFFFAOYSA-N 0 0 467.589 4.635 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)cc1 ZINC001361122791 1066372831 /nfs/dbraw/zinc/37/28/31/1066372831.db2.gz OENOSRCRFJXTRE-WWPVKYPJSA-N 0 0 467.658 4.562 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC3CCCC3)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1F ZINC001361122966 1066373057 /nfs/dbraw/zinc/37/30/57/1066373057.db2.gz QVMJRUYELMIDBG-LJQANCHMSA-N 0 0 455.622 4.761 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC(=O)NC(C)(C)C ZINC001361123422 1066373258 /nfs/dbraw/zinc/37/32/58/1066373258.db2.gz 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CCOC(=O)C[C@@H](NC(=O)c1nc(Br)sc1C1CC1)c1ccccc1Cl ZINC001455486142 1066397009 /nfs/dbraw/zinc/39/70/09/1066397009.db2.gz QYWQJZVOWBYLSJ-CYBMUJFWSA-N 0 0 457.777 4.861 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCCC(=O)N(C)C)c1 ZINC001361131031 1066397193 /nfs/dbraw/zinc/39/71/93/1066397193.db2.gz VXLKFILNMNCNCJ-IRLDBZIGSA-N 0 0 453.631 4.536 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2Cc2ccncc2Cl)c1 ZINC001361131029 1066397227 /nfs/dbraw/zinc/39/72/27/1066397227.db2.gz VWVUCAYJIFFBDV-GOSISDBHSA-N 0 0 455.990 4.611 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC2(O)CCC2)c1 ZINC001361131076 1066397738 /nfs/dbraw/zinc/39/77/38/1066397738.db2.gz XRRCFAOQRUBEIY-QHCPKHFHSA-N 0 0 470.658 4.845 20 0 JJADRN COc1ccc(NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1NC(=O)C1CCCCC1 ZINC001444057810 1066397729 /nfs/dbraw/zinc/39/77/29/1066397729.db2.gz MFJHHWHCLIBWIU-UHFFFAOYSA-N 0 0 458.946 4.628 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC(C)C)c1 ZINC001361131066 1066398044 /nfs/dbraw/zinc/39/80/44/1066398044.db2.gz XGFMOLQUFIPJHK-UHFFFAOYSA-N 0 0 481.666 4.969 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)c2C(C)C)cc1 ZINC001455499822 1066398286 /nfs/dbraw/zinc/39/82/86/1066398286.db2.gz KRZJNZZZAHYPPI-ZJOUEHCJSA-N 0 0 452.599 4.822 20 0 JJADRN CCCc1ccc(C(=O)N[C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1 ZINC001444061537 1066398163 /nfs/dbraw/zinc/39/81/63/1066398163.db2.gz GGWHYZOVTUDWOB-XMMPIXPASA-N 0 0 450.604 4.706 20 0 JJADRN C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC001444061456 1066398310 /nfs/dbraw/zinc/39/83/10/1066398310.db2.gz HIIHYLBHHYBWGB-WZONZLPQSA-N 0 0 452.601 4.806 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455500390 1066398689 /nfs/dbraw/zinc/39/86/89/1066398689.db2.gz BYXZQDXGLQMBLG-GOSISDBHSA-N 0 0 457.656 4.859 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2ccnc(Cl)c2Cl)cc1Cl)c1cnccn1 ZINC001444067329 1066399015 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QAUHIGBQWWFRIB-UHFFFAOYSA-N 0 0 457.602 4.650 20 0 JJADRN CCC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC001444068418 1066399569 /nfs/dbraw/zinc/39/95/69/1066399569.db2.gz UZQJQUQOFCVZBT-RSXGOPAZSA-N 0 0 450.579 4.837 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)[C@H]1c1ccccc1 ZINC001444070698 1066399600 /nfs/dbraw/zinc/39/96/00/1066399600.db2.gz PIKOSEDMABXYRB-SCLBCKFNSA-N 0 0 454.470 4.822 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)[C@@H]1c1ccccc1 ZINC001444070701 1066399625 /nfs/dbraw/zinc/39/96/25/1066399625.db2.gz PIKOSEDMABXYRB-UGSOOPFHSA-N 0 0 454.470 4.822 20 0 JJADRN Cc1cc(C(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c(C)cc1Br ZINC001455507464 1066399486 /nfs/dbraw/zinc/39/94/86/1066399486.db2.gz YIZQMESIFHTSAU-GLRZTSSQSA-N 0 0 453.174 4.608 20 0 JJADRN COc1cccc(N(CC(=O)N[C@@H](c2ccccc2)C2CCOCC2)C(=O)OC(C)(C)C)c1 ZINC001444070093 1066399681 /nfs/dbraw/zinc/39/96/81/1066399681.db2.gz PMOYPXOOKSXGGR-DEOSSOPVSA-N 0 0 454.567 4.721 20 0 JJADRN C[C@H]1CN(C(=O)c2ccccc2COc2cccc(C=O)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001444075936 1066399963 /nfs/dbraw/zinc/39/99/63/1066399963.db2.gz WTZLGGRIGWVHGL-OALUTQOASA-N 0 0 452.551 4.548 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 ZINC001361131703 1066400078 /nfs/dbraw/zinc/40/00/78/1066400078.db2.gz OEVGPVCNPROQCJ-NRFANRHFSA-N 0 0 485.698 4.535 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC001361131839 1066400546 /nfs/dbraw/zinc/40/05/46/1066400546.db2.gz RESPZLOVIJDNBS-CDMIOBSGSA-N 0 0 464.441 4.549 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCOC[C@H]2C)s1 ZINC001361131716 1066400800 /nfs/dbraw/zinc/40/08/00/1066400800.db2.gz OPFBADPEJYMWIX-QGZVFWFLSA-N 0 0 455.628 4.636 20 0 JJADRN O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)CSCc1cscn1)C2 ZINC001444079334 1066400644 /nfs/dbraw/zinc/40/06/44/1066400644.db2.gz JNEHGHWHYPQRFX-UHFFFAOYSA-N 0 0 456.568 4.744 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(O)c1 ZINC001444078370 1066400917 /nfs/dbraw/zinc/40/09/17/1066400917.db2.gz MYRRJPOYIPKGHK-SANMLTNESA-N 0 0 458.558 4.962 20 0 JJADRN CCNc1nc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cs1 ZINC001455509842 1066400955 /nfs/dbraw/zinc/40/09/55/1066400955.db2.gz LFQKNNMYGIFCFC-WMZOPIPTSA-N 0 0 450.649 4.901 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001361132155 1066401515 /nfs/dbraw/zinc/40/15/15/1066401515.db2.gz UWANVNOAOOXPNB-KDURUIRLSA-N 0 0 469.655 4.910 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361132026 1066401686 /nfs/dbraw/zinc/40/16/86/1066401686.db2.gz SZQJRHNHIXMKME-GOSISDBHSA-N 0 0 483.617 4.679 20 0 JJADRN Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)sc2nccc(C)c12 ZINC001455513162 1066402147 /nfs/dbraw/zinc/40/21/47/1066402147.db2.gz MJHQLAVXNYTWAT-UONOGXRCSA-N 0 0 457.518 4.688 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSCC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361132435 1066402232 /nfs/dbraw/zinc/40/22/32/1066402232.db2.gz YGADZQRQTLBWAJ-RUZDIDTESA-N 0 0 458.672 4.783 20 0 JJADRN O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)C[C@H](O)c1cccc(F)c1)C2 ZINC001444084803 1066402413 /nfs/dbraw/zinc/40/24/13/1066402413.db2.gz VBWWDHMSAGZRTJ-QHCPKHFHSA-N 0 0 451.473 4.617 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001455518251 1066403119 /nfs/dbraw/zinc/40/31/19/1066403119.db2.gz SDBYOTULCPJEGC-AEFFLSMTSA-N 0 0 458.521 4.777 20 0 JJADRN CO[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 ZINC001361132659 1066403139 /nfs/dbraw/zinc/40/31/39/1066403139.db2.gz AFBOXGBTDUOQEG-PMACEKPBSA-N 0 0 451.792 4.743 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001444087772 1066403496 /nfs/dbraw/zinc/40/34/96/1066403496.db2.gz DKCSBWIOELRIJQ-BHYGNILZSA-N 0 0 454.518 4.556 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001361132807 1066403716 /nfs/dbraw/zinc/40/37/16/1066403716.db2.gz BXOWLMYMTRYITO-DVWBAYGPSA-N 0 0 451.007 4.960 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001361132809 1066403937 /nfs/dbraw/zinc/40/39/37/1066403937.db2.gz BXOWLMYMTRYITO-OTNPHJDUSA-N 0 0 451.007 4.960 20 0 JJADRN COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)c1 ZINC001455531702 1066404767 /nfs/dbraw/zinc/40/47/67/1066404767.db2.gz MTGAWCCLKSWHQB-XCLFUZPHSA-N 0 0 456.366 4.654 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)o2)cc1 ZINC001455530128 1066404983 /nfs/dbraw/zinc/40/49/83/1066404983.db2.gz HHTMUTMLHZMWCO-BAGYTPMASA-N 0 0 452.595 4.516 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)o2)cc1 ZINC001455530130 1066405024 /nfs/dbraw/zinc/40/50/24/1066405024.db2.gz HHTMUTMLHZMWCO-CEMLEFRQSA-N 0 0 452.595 4.516 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545964375 1066405657 /nfs/dbraw/zinc/40/56/57/1066405657.db2.gz CQACMKFNAGKWIJ-WMZOPIPTSA-N 0 0 496.027 4.904 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361134325 1066405595 /nfs/dbraw/zinc/40/55/95/1066405595.db2.gz IZAIHIKHRIBVHL-SFHVURJKSA-N 0 0 483.542 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC001455532439 1066405716 /nfs/dbraw/zinc/40/57/16/1066405716.db2.gz ODGVPXLHGQGJCJ-TZIWHRDSSA-N 0 0 459.537 4.839 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001444101472 1066406304 /nfs/dbraw/zinc/40/63/04/1066406304.db2.gz PNJPZXRWENRKNT-ROTAYESASA-N 0 0 453.526 4.829 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134543 1066406354 /nfs/dbraw/zinc/40/63/54/1066406354.db2.gz LEJCAWFTJGWALO-NHCUHLMSSA-N 0 0 476.625 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3CCOc4ccc(Br)cc43)CCC[C@@H]12 ZINC001455536896 1066406692 /nfs/dbraw/zinc/40/66/92/1066406692.db2.gz KWUQTXPUMYKEPC-ZDWFVDTJSA-N 0 0 479.415 4.611 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134721 1066406668 /nfs/dbraw/zinc/40/66/68/1066406668.db2.gz MPOLYQFTTOZQIO-IFMALSPDSA-N 0 0 491.640 4.683 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001361134752 1066406723 /nfs/dbraw/zinc/40/67/23/1066406723.db2.gz GNNRRLUHTXDVPF-YZGWKJHDSA-N 0 0 452.521 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CSc3ccccc3Br)CCC[C@@H]12 ZINC001455542532 1066407755 /nfs/dbraw/zinc/40/77/55/1066407755.db2.gz ZYVSGBQUJVKRTM-DYESRHJHSA-N 0 0 469.445 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC2(CCC2)C1 ZINC001455538586 1066407877 /nfs/dbraw/zinc/40/78/77/1066407877.db2.gz PIYBNGPEDJVBMR-IQGLISFBSA-N 0 0 477.646 4.510 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001361135061 1066408522 /nfs/dbraw/zinc/40/85/22/1066408522.db2.gz OVZHQCJGXQHJIH-DBXWQHBBSA-N 0 0 459.516 4.532 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001444117410 1066408829 /nfs/dbraw/zinc/40/88/29/1066408829.db2.gz LUMXMXWVTUGTGH-ZDUSSCGKSA-N 0 0 450.848 4.637 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccccc2C)N2CCOCC2)o1 ZINC001361135370 1066409360 /nfs/dbraw/zinc/40/93/60/1066409360.db2.gz MMVIYHNAKFNNBJ-JTHBVZDNSA-N 0 0 451.615 4.882 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CO)CC2)cc1 ZINC001361135205 1066409370 /nfs/dbraw/zinc/40/93/70/1066409370.db2.gz LJEDVWLJEBXNAT-OFNKIYASSA-N 0 0 483.657 4.671 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NCc3ccc(C(=O)OC(C)(C)C)cc3)c2c1C ZINC001361135518 1066409453 /nfs/dbraw/zinc/40/94/53/1066409453.db2.gz DGIWPWCPQNMWFD-UHFFFAOYSA-N 0 0 457.621 4.980 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C[C@H]1C1CC1 ZINC001455558181 1066410302 /nfs/dbraw/zinc/41/03/02/1066410302.db2.gz GRPVWMLQRPMIFN-ZWKOTPCHSA-N 0 0 455.580 4.832 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1C1CC1 ZINC001455559379 1066410367 /nfs/dbraw/zinc/41/03/67/1066410367.db2.gz KLWPHKYGMKXQCM-LSDHHAIUSA-N 0 0 473.205 4.652 20 0 JJADRN COc1cc(Br)cc(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)c1 ZINC001455559090 1066410448 /nfs/dbraw/zinc/41/04/48/1066410448.db2.gz KDMULUOZVVEOKT-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001361136558 1066410636 /nfs/dbraw/zinc/41/06/36/1066410636.db2.gz RCFQAUBKSWTMMT-RLWLMLJZSA-N 0 0 454.542 4.796 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1ccccc1 ZINC001455561576 1066410746 /nfs/dbraw/zinc/41/07/46/1066410746.db2.gz ZUIKKWNEWKFCJB-BHDDXSALSA-N 0 0 472.626 4.859 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001455562083 1066410956 /nfs/dbraw/zinc/41/09/56/1066410956.db2.gz SISYYDSTWVAGES-UHFFFAOYSA-N 0 0 459.384 4.981 20 0 JJADRN CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)ccc21 ZINC001444130338 1066410868 /nfs/dbraw/zinc/41/08/68/1066410868.db2.gz IIMOZSUIPDAZFN-UHFFFAOYSA-N 0 0 456.424 4.923 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444130383 1066410892 /nfs/dbraw/zinc/41/08/92/1066410892.db2.gz IIZPDVJPPAZBEB-QHCPKHFHSA-N 0 0 458.524 4.938 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361136776 1066411675 /nfs/dbraw/zinc/41/16/75/1066411675.db2.gz ZJGPXYYZTSUIRE-SJBKTWHCSA-N 0 0 491.640 4.587 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)cc1 ZINC001361136792 1066411710 /nfs/dbraw/zinc/41/17/10/1066411710.db2.gz ZSGCCDCVFMSDCM-BEFAXECRSA-N 0 0 488.455 4.802 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCSC2)C1)OC ZINC001545964757 1066412423 /nfs/dbraw/zinc/41/24/23/1066412423.db2.gz JRXIPCAKOGELCM-YWZLYKJASA-N 0 0 469.424 4.605 20 0 JJADRN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001455570676 1066412446 /nfs/dbraw/zinc/41/24/46/1066412446.db2.gz PFCAFQZNDSJMFP-UHFFFAOYSA-N 0 0 458.590 4.618 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(C(C)=O)c(C)nc2C)cc1 ZINC001361137992 1066413103 /nfs/dbraw/zinc/41/31/03/1066413103.db2.gz KAGRCVAFEANFEB-UHFFFAOYSA-N 0 0 452.532 4.739 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCSC[C@H]3c3ccccc3)c2)cc1 ZINC001444138568 1066413124 /nfs/dbraw/zinc/41/31/24/1066413124.db2.gz PGLRFGMTPXMIJA-QHCPKHFHSA-N 0 0 452.601 4.726 20 0 JJADRN CN(CCC(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001455585470 1066413154 /nfs/dbraw/zinc/41/31/54/1066413154.db2.gz QARVYDBKBKRSAC-UHFFFAOYSA-N 0 0 455.640 4.567 20 0 JJADRN Cc1ccc([C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCC(F)F)N2CCOCC2)o1 ZINC001361139017 1066413727 /nfs/dbraw/zinc/41/37/27/1066413727.db2.gz FBBSNUAPIZBADA-LJQANCHMSA-N 0 0 479.959 4.665 20 0 JJADRN CC/C(=C\C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccc(OC)cc1 ZINC001455598207 1066413828 /nfs/dbraw/zinc/41/38/28/1066413828.db2.gz GUYJQOXHHOVFKD-OBGWFSINSA-N 0 0 450.514 4.554 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1)NC(=O)OC(C)(C)C ZINC001545964864 1066413910 /nfs/dbraw/zinc/41/39/10/1066413910.db2.gz LMMCZIZXKGNOBM-KRWDZBQOSA-N 0 0 498.455 4.764 20 0 JJADRN COc1cccc2[nH]cc(CCNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)c21 ZINC001455598179 1066414037 /nfs/dbraw/zinc/41/40/37/1066414037.db2.gz OTVYQDBAYUVJGS-HXOBKFHXSA-N 0 0 451.567 4.737 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC001361139122 1066414433 /nfs/dbraw/zinc/41/44/33/1066414433.db2.gz XGEFELYIQNZYKU-NRFANRHFSA-N 0 0 451.500 4.513 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)CO1 ZINC001455618265 1066415663 /nfs/dbraw/zinc/41/56/63/1066415663.db2.gz DCAYHUCZUNIMEG-GJZGRUSLSA-N 0 0 452.523 4.638 20 0 JJADRN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1nc(-c2ccccc2)c[nH]1 ZINC001455616384 1066415838 /nfs/dbraw/zinc/41/58/38/1066415838.db2.gz AKSOSGYIHHPDII-UHFFFAOYSA-N 0 0 451.596 4.561 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](CC)C1)Oc1ccccc1F ZINC001545965002 1066416139 /nfs/dbraw/zinc/41/61/39/1066416139.db2.gz OAKAQRXCODXLMO-BHIYHBOVSA-N 0 0 473.980 4.994 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1)OC ZINC001545964979 1066416281 /nfs/dbraw/zinc/41/62/81/1066416281.db2.gz NJMDVHCLCVXTFJ-CQSZACIVSA-N 0 0 453.381 4.970 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1Cl ZINC001444145307 1066417066 /nfs/dbraw/zinc/41/70/66/1066417066.db2.gz HLFYODXMLWLVKI-OAQYLSRUSA-N 0 0 452.894 4.733 20 0 JJADRN CCOC(=O)c1n[nH]nc1[C@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633094 1066417377 /nfs/dbraw/zinc/41/73/77/1066417377.db2.gz DWOLKGFYFWVXJE-GOSISDBHSA-N 0 0 456.955 4.763 20 0 JJADRN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001444147122 1066417762 /nfs/dbraw/zinc/41/77/62/1066417762.db2.gz OZPUWCOFCONIRX-CQSZACIVSA-N 0 0 451.430 4.607 20 0 JJADRN CC1=C(C)C[C@](C)(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001455644012 1066418265 /nfs/dbraw/zinc/41/82/65/1066418265.db2.gz FCKRZMMVFWAMIV-HHHXNRCGSA-N 0 0 455.643 4.882 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)c1cc2sccc2c(O)c1 ZINC001444150651 1066418751 /nfs/dbraw/zinc/41/87/51/1066418751.db2.gz CTJOMLJAYLUBJS-UHFFFAOYSA-N 0 0 452.395 4.911 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)cc2)C[C@@H](C)O1 ZINC001361140638 1066418848 /nfs/dbraw/zinc/41/88/48/1066418848.db2.gz CGRBRPPTPYMAFP-RTBURBONSA-N 0 0 454.567 4.886 20 0 JJADRN C/C(=C/C(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cccs1 ZINC001455646846 1066419032 /nfs/dbraw/zinc/41/90/32/1066419032.db2.gz QPGCCMLZPWYZJJ-MNDPQUGUSA-N 0 0 455.624 4.521 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCCOc1cccc(Br)c1 ZINC001444155003 1066419417 /nfs/dbraw/zinc/41/94/17/1066419417.db2.gz LTPUYQKOTTZMBI-AWEZNQCLSA-N 0 0 458.805 4.798 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965334 1066420834 /nfs/dbraw/zinc/42/08/34/1066420834.db2.gz VVPWBFMAGUZSKR-HLLBOEOZSA-N 0 0 482.000 4.655 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001455652346 1066421045 /nfs/dbraw/zinc/42/10/45/1066421045.db2.gz VIIZPPRJWLTWBN-SFHVURJKSA-N 0 0 459.281 4.888 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)n2)c1 ZINC001361141771 1066421920 /nfs/dbraw/zinc/42/19/20/1066421920.db2.gz STZBRZBWAXXMNF-CYBMUJFWSA-N 0 0 455.877 4.523 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001444161090 1066421871 /nfs/dbraw/zinc/42/18/71/1066421871.db2.gz BZAPOLUVSSSDAW-ZCNNSNEGSA-N 0 0 456.656 4.620 20 0 JJADRN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001455674561 1066423412 /nfs/dbraw/zinc/42/34/12/1066423412.db2.gz HOXMTCVPKOYUFC-KRWDZBQOSA-N 0 0 450.347 4.888 20 0 JJADRN Cc1ccc([C@H](Cn2c(N(C)C[C@H](C)c3ccccc3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142352 1066423492 /nfs/dbraw/zinc/42/34/92/1066423492.db2.gz YDFPJRIKFIUHRR-REWPJTCUSA-N 0 0 465.642 4.790 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1nc(-c2cccc(F)c2)no1 ZINC001361142168 1066423619 /nfs/dbraw/zinc/42/36/19/1066423619.db2.gz ZGVDSZSKUQZVRR-CYBMUJFWSA-N 0 0 456.930 4.996 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001546074929 1066423598 /nfs/dbraw/zinc/42/35/98/1066423598.db2.gz CYGSVLUNMSRWAY-HSZRJFAPSA-N 0 0 476.046 4.979 20 0 JJADRN CCO[C@H](CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)C(C)C ZINC001444168038 1066424115 /nfs/dbraw/zinc/42/41/15/1066424115.db2.gz FKRCVZOAKGHQDB-QZTJIDSGSA-N 0 0 450.377 4.538 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444167081 1066424168 /nfs/dbraw/zinc/42/41/68/1066424168.db2.gz UDWDCPAJWOZQCF-NRFANRHFSA-N 0 0 457.412 4.967 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)(C)CCCc2ccccc2)cc1 ZINC001444168445 1066424687 /nfs/dbraw/zinc/42/46/87/1066424687.db2.gz VLKNQRCBNVCGPX-QHCPKHFHSA-N 0 0 454.636 4.766 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001361143404 1066424645 /nfs/dbraw/zinc/42/46/45/1066424645.db2.gz QUCBGURMLFSLMA-WMZOPIPTSA-N 0 0 453.530 4.823 20 0 JJADRN Cn1cc(Br)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1=O ZINC001361143268 1066424893 /nfs/dbraw/zinc/42/48/93/1066424893.db2.gz OTSUHGMYWAUCQQ-UHFFFAOYSA-N 0 0 457.290 4.756 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccc(F)cc1F ZINC001361143686 1066425559 /nfs/dbraw/zinc/42/55/59/1066425559.db2.gz YDPONNOFLCQGND-LRXVAGHRSA-N 0 0 458.549 4.910 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCSCC(C)C)CC2)c1 ZINC001361143958 1066425609 /nfs/dbraw/zinc/42/56/09/1066425609.db2.gz AYAOVBNDMDFPOQ-UHFFFAOYSA-N 0 0 450.656 4.673 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NCCCC(=O)N2Cc3ccccc3C2)cs1 ZINC001444174697 1066425531 /nfs/dbraw/zinc/42/55/31/1066425531.db2.gz VJSIERJPSZNEFI-UHFFFAOYSA-N 0 0 451.617 4.796 20 0 JJADRN Cc1cccc(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c1NC(=O)c1ccncc1 ZINC001444171727 1066425544 /nfs/dbraw/zinc/42/55/44/1066425544.db2.gz IFPSMIGFNFVMNM-UHFFFAOYSA-N 0 0 458.562 4.925 20 0 JJADRN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(I)c(Br)c1 ZINC001361144099 1066425628 /nfs/dbraw/zinc/42/56/28/1066425628.db2.gz HYOKCBQVAQPLPA-AWEZNQCLSA-N 0 0 458.137 4.805 20 0 JJADRN O=C(Nc1c[nH]nc1C(F)(F)F)c1cc2cc(Br)cc(Br)c2o1 ZINC001455715399 1066426161 /nfs/dbraw/zinc/42/61/61/1066426161.db2.gz GKHSBHPLJNDYEG-UHFFFAOYSA-N 0 0 453.012 4.952 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)NCc3cccc4nsnc43)cc21 ZINC001455715401 1066426240 /nfs/dbraw/zinc/42/62/40/1066426240.db2.gz IUCQJOCEPAOVSF-KRWDZBQOSA-N 0 0 452.580 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2CCSC(C)C)c1 ZINC001361144402 1066426212 /nfs/dbraw/zinc/42/62/12/1066426212.db2.gz HEWHYWPJROBCMS-JOCHJYFZSA-N 0 0 495.697 4.511 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2)NC1CCCCCCC1 ZINC001444176652 1066426365 /nfs/dbraw/zinc/42/63/65/1066426365.db2.gz PKXLHFVIGKNNCR-UHFFFAOYSA-N 0 0 451.592 4.755 20 0 JJADRN O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444180670 1066426919 /nfs/dbraw/zinc/42/69/19/1066426919.db2.gz TVASBOGKRQWKIU-HOCLYGCPSA-N 0 0 454.315 4.912 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C1 ZINC001546075312 1066427524 /nfs/dbraw/zinc/42/75/24/1066427524.db2.gz LPHJOPLTVMHRJT-QFIPXVFZSA-N 0 0 475.410 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145268 1066427443 /nfs/dbraw/zinc/42/74/43/1066427443.db2.gz SWLFYEOJJSTILC-DENIHFKCSA-N 0 0 488.698 4.846 20 0 JJADRN CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001361145022 1066427453 /nfs/dbraw/zinc/42/74/53/1066427453.db2.gz WRVMGMPFTMFMFN-RTWAWAEBSA-N 0 0 459.384 4.688 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545965516 1066427583 /nfs/dbraw/zinc/42/75/83/1066427583.db2.gz YUSVPSVCOIKKND-DOTOQJQBSA-N 0 0 491.961 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC001444184656 1066427597 /nfs/dbraw/zinc/42/75/97/1066427597.db2.gz MTBSLNRAOUVDRY-GOSISDBHSA-N 0 0 454.527 4.817 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C)ccc4C)CC3)n2CCCSCC(C)C)n1 ZINC001361145381 1066427911 /nfs/dbraw/zinc/42/79/11/1066427911.db2.gz WOWCWUVNKMNGHV-UHFFFAOYSA-N 0 0 495.741 4.862 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)C1 ZINC001546075673 1066427997 /nfs/dbraw/zinc/42/79/97/1066427997.db2.gz SOWPKWSLEJMCNP-RUZDIDTESA-N 0 0 471.552 4.743 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)N2CCOc3ccccc32)c(Sc2ccc(Cl)cc2)c1 ZINC001455742229 1066428292 /nfs/dbraw/zinc/42/82/92/1066428292.db2.gz UXFWLOZUPYVGNB-UHFFFAOYSA-N 0 0 452.963 4.955 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCNc2ncc(Cl)cc2Cl)C1 ZINC001546075849 1066428354 /nfs/dbraw/zinc/42/83/54/1066428354.db2.gz WIEVGEMMKQWODQ-JOCHJYFZSA-N 0 0 460.413 4.704 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CCOc2ncccc2Cl)c1 ZINC001361145663 1066429475 /nfs/dbraw/zinc/42/94/75/1066429475.db2.gz FNTVTTWZRIKOHA-SFHVURJKSA-N 0 0 474.030 4.543 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](CC3CC3)c3ccccc3)cc2)cc1 ZINC001444211566 1066429873 /nfs/dbraw/zinc/42/98/73/1066429873.db2.gz RPGDUZWJKIKYQG-XMMPIXPASA-N 0 0 450.560 4.767 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CCCCN3Cc3cccnc3)s2)cc1 ZINC001444212538 1066429938 /nfs/dbraw/zinc/42/99/38/1066429938.db2.gz FVRHZGHZCUHQLR-JTSKRJEESA-N 0 0 450.608 4.754 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC001546075960 1066429974 /nfs/dbraw/zinc/42/99/74/1066429974.db2.gz YYWNZFNUFCNENI-WIOPSUGQSA-N 0 0 453.034 4.847 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2ccc(Br)o2)cnn1C ZINC001361145799 1066430206 /nfs/dbraw/zinc/43/02/06/1066430206.db2.gz JOUUHURYVBQWQE-UHFFFAOYSA-N 0 0 499.413 4.556 20 0 JJADRN CCOC(=O)[C@H](CSC)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC001455782298 1066430710 /nfs/dbraw/zinc/43/07/10/1066430710.db2.gz WBPBLWGJTTUVMA-HNNXBMFYSA-N 0 0 450.607 4.515 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H]2CCCCO2)c1 ZINC001361145969 1066430829 /nfs/dbraw/zinc/43/08/29/1066430829.db2.gz NYYRDLHHIPGZGW-UXHICEINSA-N 0 0 455.628 4.739 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)s2)cc1 ZINC001444215307 1066431041 /nfs/dbraw/zinc/43/10/41/1066431041.db2.gz LCIHGMAQFAPMNV-AUUYWEPGSA-N 0 0 459.612 4.998 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cccs1 ZINC001361146076 1066431644 /nfs/dbraw/zinc/43/16/44/1066431644.db2.gz REGHRFUZLBKVHU-UHFFFAOYSA-N 0 0 450.612 4.570 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361146111 1066431685 /nfs/dbraw/zinc/43/16/85/1066431685.db2.gz SDCYDEFKHRIHAG-XMMPIXPASA-N 0 0 458.006 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361146143 1066431741 /nfs/dbraw/zinc/43/17/41/1066431741.db2.gz UEVCJAPOTPLOOQ-DFBJGRDBSA-N 0 0 470.017 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(F)(F)F)n2CCSCC(F)(F)F)c1 ZINC001361146139 1066431817 /nfs/dbraw/zinc/43/18/17/1066431817.db2.gz UAPINHBJXGXYCV-UHFFFAOYSA-N 0 0 456.456 4.768 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cc(Cc2ccccc2)ccc1O ZINC001444239011 1066432447 /nfs/dbraw/zinc/43/24/47/1066432447.db2.gz LFVICBXLGZYSFD-IBGZPJMESA-N 0 0 451.364 4.754 20 0 JJADRN C[C@@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)CN(C)C(=O)OC(C)(C)C ZINC001444242500 1066432828 /nfs/dbraw/zinc/43/28/28/1066432828.db2.gz RQDMZEIVMCKUHX-IBGZPJMESA-N 0 0 450.583 4.577 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCC(C)(O)CC3)ccc2C)cc1 ZINC001455798489 1066432830 /nfs/dbraw/zinc/43/28/30/1066432830.db2.gz ACPHWOZDBPBWFY-UHFFFAOYSA-N 0 0 458.624 4.562 20 0 JJADRN C[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc(F)cc1 ZINC001361147723 1066432901 /nfs/dbraw/zinc/43/29/01/1066432901.db2.gz QABOIQNWTRVMGE-HXOBKFHXSA-N 0 0 454.929 4.924 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c12 ZINC001444243210 1066433009 /nfs/dbraw/zinc/43/30/09/1066433009.db2.gz TYYDERPQAJFGSQ-HNNXBMFYSA-N 0 0 456.543 4.668 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361148130 1066433812 /nfs/dbraw/zinc/43/38/12/1066433812.db2.gz ATIBMHGBGJQTRN-FQEVSTJZSA-N 0 0 471.646 4.966 20 0 JJADRN Cc1cc(C(C)(C)C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)ccc1Br ZINC001455804682 1066433715 /nfs/dbraw/zinc/43/37/15/1066433715.db2.gz VVHRWBLLOSKLCU-KRWDZBQOSA-N 0 0 453.421 4.797 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001444246619 1066433816 /nfs/dbraw/zinc/43/38/16/1066433816.db2.gz FXFNKQQCBQRXRJ-NFBKMPQASA-N 0 0 452.599 4.550 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC2CC2)c1 ZINC001361148378 1066434281 /nfs/dbraw/zinc/43/42/81/1066434281.db2.gz IRLMRZDWBOFGNW-UHFFFAOYSA-N 0 0 451.518 4.996 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)CSCC(=O)c2ccccc2)C1 ZINC001455808374 1066434365 /nfs/dbraw/zinc/43/43/65/1066434365.db2.gz NVBBILXIKTXHIP-LJQANCHMSA-N 0 0 453.604 4.930 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455806137 1066434379 /nfs/dbraw/zinc/43/43/79/1066434379.db2.gz FSNOEASQDZPOEL-ZIAGYGMSSA-N 0 0 455.477 4.689 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001455805489 1066434462 /nfs/dbraw/zinc/43/44/62/1066434462.db2.gz CRGSLQPNEOCHMA-SFHVURJKSA-N 0 0 452.551 4.508 20 0 JJADRN Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444247348 1066434488 /nfs/dbraw/zinc/43/44/88/1066434488.db2.gz KOFGFCUMAUKQDF-QHCPKHFHSA-N 0 0 452.551 4.782 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361148401 1066435096 /nfs/dbraw/zinc/43/50/96/1066435096.db2.gz JNKXYSIVPAGBSN-NRFANRHFSA-N 0 0 455.628 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001444249854 1066435100 /nfs/dbraw/zinc/43/51/00/1066435100.db2.gz UFYODTWJKVFYFD-QGZVFWFLSA-N 0 0 452.580 4.730 20 0 JJADRN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444249675 1066435355 /nfs/dbraw/zinc/43/53/55/1066435355.db2.gz SPCFMXJEZRULAX-NDENLUEZSA-N 0 0 453.391 4.850 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)CSc2nc3ccccc3[nH]2)C1 ZINC001455811466 1066435689 /nfs/dbraw/zinc/43/56/89/1066435689.db2.gz ZJFXRXDMLIZFJR-QGZVFWFLSA-N 0 0 451.592 4.982 20 0 JJADRN CN(C)[C@H](CNC(=O)CCCCOc1ccc(Br)cc1)c1c(F)cccc1F ZINC001444252876 1066435939 /nfs/dbraw/zinc/43/59/39/1066435939.db2.gz ADQSGJKLRSGBGL-LJQANCHMSA-N 0 0 455.343 4.696 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455812795 1066436725 /nfs/dbraw/zinc/43/67/25/1066436725.db2.gz LTFVZHPPOPDPED-MXEMCNAFSA-N 0 0 481.678 4.669 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3CCC[C@@H]3CNC(=O)OC(C)(C)C)cc2nc1C(F)(F)F ZINC001455818021 1066437623 /nfs/dbraw/zinc/43/76/23/1066437623.db2.gz OKAFWTFWEMINJE-OAHLLOKOSA-N 0 0 454.493 4.765 20 0 JJADRN Cn1ccnc1SCc1cccc(C(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC001444261649 1066437700 /nfs/dbraw/zinc/43/77/00/1066437700.db2.gz LCQJHQJTKGYTQD-UHFFFAOYSA-N 0 0 456.409 4.937 20 0 JJADRN O=C(c1c(C(F)F)nc2cnccn21)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001444259866 1066437725 /nfs/dbraw/zinc/43/77/25/1066437725.db2.gz JSUJJLCMVAWUDF-UHFFFAOYSA-N 0 0 455.292 4.905 20 0 JJADRN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)[nH]c1=O ZINC001455821664 1066438393 /nfs/dbraw/zinc/43/83/93/1066438393.db2.gz AZSUYNMVTJDGFQ-ZHRRBRCNSA-N 0 0 453.583 4.816 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001361149140 1066438659 /nfs/dbraw/zinc/43/86/59/1066438659.db2.gz JZXCDDMGBLQRIG-UHFFFAOYSA-N 0 0 485.551 4.777 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC001455825672 1066438738 /nfs/dbraw/zinc/43/87/38/1066438738.db2.gz WANPINLZLNELBY-OSLDLMBLSA-N 0 0 453.391 4.816 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(OCC2CC2)c1 ZINC001455824180 1066438836 /nfs/dbraw/zinc/43/88/36/1066438836.db2.gz LEUMDQSANCRGTK-AREMUKBSSA-N 0 0 458.599 4.737 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCCc3ccccn3)n2CC2CC(F)(F)C2)c1 ZINC001361149062 1066438827 /nfs/dbraw/zinc/43/88/27/1066438827.db2.gz GVKKYNOIPPHUOG-UHFFFAOYSA-N 0 0 455.553 4.983 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Nc2cccc(C)c2)c1C ZINC001455824419 1066438908 /nfs/dbraw/zinc/43/89/08/1066438908.db2.gz KQFWQYOMMTVHDW-OAQYLSRUSA-N 0 0 455.555 4.832 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001444266082 1066438972 /nfs/dbraw/zinc/43/89/72/1066438972.db2.gz KSCKUQACXHXAHK-BGWNEDDSSA-N 0 0 452.595 4.810 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)c3ccc(-n4nc(C)cc4C)cc3)c(=O)oc2c1 ZINC001444265927 1066439063 /nfs/dbraw/zinc/43/90/63/1066439063.db2.gz CPSZHPFQBYTRFU-IBGZPJMESA-N 0 0 458.562 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCC2=CCCCC2)c1 ZINC001361149224 1066439467 /nfs/dbraw/zinc/43/94/67/1066439467.db2.gz MTPWDLXXKSMMNR-PSWAGMNNSA-N 0 0 481.685 4.910 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CC=CCC2)c1 ZINC001361149500 1066439966 /nfs/dbraw/zinc/43/99/66/1066439966.db2.gz VSVDFPJPIGGNKG-NRFANRHFSA-N 0 0 454.615 4.666 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361149438 1066440006 /nfs/dbraw/zinc/44/00/06/1066440006.db2.gz URGQRGRWFBIBDR-LJQANCHMSA-N 0 0 481.563 4.669 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1=O ZINC001361149619 1066440015 /nfs/dbraw/zinc/44/00/15/1066440015.db2.gz FRTGYIRMICDDII-MRXNPFEDSA-N 0 0 451.910 4.836 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ncc(C(C)C)s1 ZINC001444270050 1066440352 /nfs/dbraw/zinc/44/03/52/1066440352.db2.gz SVNLGBKEGAUQSF-HNNXBMFYSA-N 0 0 453.406 4.636 20 0 JJADRN COC(=O)[C@@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1cccc2ccccc21 ZINC001455837258 1066440424 /nfs/dbraw/zinc/44/04/24/1066440424.db2.gz DRKALUPZPDVIQA-DEOSSOPVSA-N 0 0 459.571 4.765 20 0 JJADRN Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)s1 ZINC001361150151 1066440783 /nfs/dbraw/zinc/44/07/83/1066440783.db2.gz VSSOLCVQXKWKSU-CQSZACIVSA-N 0 0 456.365 4.873 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCCc2nccs2)c1 ZINC001361151031 1066441199 /nfs/dbraw/zinc/44/11/99/1066441199.db2.gz AEBYEWPZJWBZKH-KDURUIRLSA-N 0 0 457.669 4.893 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001546076849 1066441406 /nfs/dbraw/zinc/44/14/06/1066441406.db2.gz BRDCHVRTFDTEDE-DEOSSOPVSA-N 0 0 457.525 4.571 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC)NC(=O)OC(C)(C)C ZINC001545966548 1066441400 /nfs/dbraw/zinc/44/14/00/1066441400.db2.gz GMXYMFXTEMENEK-IBGZPJMESA-N 0 0 484.670 4.986 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)n1 ZINC001444272706 1066442092 /nfs/dbraw/zinc/44/20/92/1066442092.db2.gz JLUZJQVCNNPZPS-UBLKFNIESA-N 0 0 456.590 4.618 20 0 JJADRN CN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C(=O)C1(C(N)=O)CCC1 ZINC001455863481 1066442656 /nfs/dbraw/zinc/44/26/56/1066442656.db2.gz AOUFNFPCDUUTCY-UHFFFAOYSA-N 0 0 451.748 4.509 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C12CCC2 ZINC001444277600 1066442754 /nfs/dbraw/zinc/44/27/54/1066442754.db2.gz HVMYZHBTTCCDEZ-UXHICEINSA-N 0 0 457.368 4.779 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC2(O)CCOCC2)C1 ZINC001546076985 1066442734 /nfs/dbraw/zinc/44/27/34/1066442734.db2.gz DYRZNGAGINRDOS-AREMUKBSSA-N 0 0 470.658 4.847 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361151493 1066443208 /nfs/dbraw/zinc/44/32/08/1066443208.db2.gz BMIRAOXTFJYPTK-UHFFFAOYSA-N 0 0 467.658 4.891 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455872685 1066443937 /nfs/dbraw/zinc/44/39/37/1066443937.db2.gz MYNHNZZFJLBFEF-YWZLYKJASA-N 0 0 472.916 4.945 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCCCCC[C@@H]43)n2CCC(=O)NC(C)C)c1 ZINC001361152103 1066445193 /nfs/dbraw/zinc/44/51/93/1066445193.db2.gz PKOXOLBEYHXIMT-YADHBBJMSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCOc2ncccc2F)c1 ZINC001361152004 1066445202 /nfs/dbraw/zinc/44/52/02/1066445202.db2.gz ODRWKAXRMICNMC-IBGZPJMESA-N 0 0 467.589 4.959 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC)c1cccc2ccccc21 ZINC001455884612 1066445358 /nfs/dbraw/zinc/44/53/58/1066445358.db2.gz CASJAVFFNVALGZ-DHIUTWEWSA-N 0 0 450.604 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361152403 1066445862 /nfs/dbraw/zinc/44/58/62/1066445862.db2.gz SRFQAUATTRCLJX-SFHLNBCPSA-N 0 0 479.591 4.840 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCCCC2 ZINC001444311767 1066446160 /nfs/dbraw/zinc/44/61/60/1066446160.db2.gz SGJZNGCKWIRZTE-YCAMKHIRSA-N 0 0 470.654 4.956 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361152358 1066446070 /nfs/dbraw/zinc/44/60/70/1066446070.db2.gz KZYCWRWMGSGFRC-GOSISDBHSA-N 0 0 453.587 4.672 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)n1 ZINC001455887348 1066446218 /nfs/dbraw/zinc/44/62/18/1066446218.db2.gz JBINSEFIYSIXKP-GOEBONIOSA-N 0 0 452.407 4.593 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)n1 ZINC001455887354 1066446226 /nfs/dbraw/zinc/44/62/26/1066446226.db2.gz JBINSEFIYSIXKP-ZBFHGGJFSA-N 0 0 452.407 4.593 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCSC(C)C)c1 ZINC001361152423 1066446494 /nfs/dbraw/zinc/44/64/94/1066446494.db2.gz SZMQSSNCDVFSLT-NRFANRHFSA-N 0 0 458.672 4.747 20 0 JJADRN Cc1cnn(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001361152536 1066446540 /nfs/dbraw/zinc/44/65/40/1066446540.db2.gz NCEBIGYVQDKNQN-UHFFFAOYSA-N 0 0 476.547 4.848 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC2CCOCC2)c1 ZINC001361152525 1066446632 /nfs/dbraw/zinc/44/66/32/1066446632.db2.gz UNQSQDCUDUFFGD-UHFFFAOYSA-N 0 0 494.558 4.638 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccc(I)cc3)C2)n1 ZINC001455889022 1066446698 /nfs/dbraw/zinc/44/66/98/1066446698.db2.gz OYLKPKAJDLJUOF-GJZGRUSLSA-N 0 0 454.377 4.641 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001444316394 1066446669 /nfs/dbraw/zinc/44/66/69/1066446669.db2.gz CESRKFRPBGFGRD-XOBRGWDASA-N 0 0 453.951 4.582 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545966759 1066446778 /nfs/dbraw/zinc/44/67/78/1066446778.db2.gz KBPYRZBNYAXKQC-ICSRJNTNSA-N 0 0 490.574 4.629 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001444316441 1066447233 /nfs/dbraw/zinc/44/72/33/1066447233.db2.gz CCDMLXFKUQAWBV-ZIKOEFHUSA-N 0 0 499.652 4.574 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)ccc1OC1CCOCC1 ZINC001444318943 1066447378 /nfs/dbraw/zinc/44/73/78/1066447378.db2.gz PTNLNKLJMSCOPN-UHFFFAOYSA-N 0 0 454.567 4.872 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001444318625 1066447960 /nfs/dbraw/zinc/44/79/60/1066447960.db2.gz IJTCOIXLDXMAGT-KSFYIVLOSA-N 0 0 458.967 4.647 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361153263 1066448556 /nfs/dbraw/zinc/44/85/56/1066448556.db2.gz WVTJASJJYYPADQ-NFBKMPQASA-N 0 0 467.658 4.605 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N1CCC[C@@H](Cc3nccs3)C1)N2C(=O)OC(C)(C)C ZINC001455904300 1066448811 /nfs/dbraw/zinc/44/88/11/1066448811.db2.gz ICNYYUWVRXIAOF-JXFKEZNVSA-N 0 0 459.587 4.738 20 0 JJADRN CC[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1F ZINC001444321214 1066448839 /nfs/dbraw/zinc/44/88/39/1066448839.db2.gz GVEYEJHRENDJNA-UGKGYDQZSA-N 0 0 457.546 4.632 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361153297 1066449222 /nfs/dbraw/zinc/44/92/22/1066449222.db2.gz XCGWPWAUWIEXPW-WEZXKFLESA-N 0 0 460.688 4.894 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361153371 1066449235 /nfs/dbraw/zinc/44/92/35/1066449235.db2.gz YLJVOAKKWPPNNQ-FPOVZHCZSA-N 0 0 453.631 4.548 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC001455908780 1066449213 /nfs/dbraw/zinc/44/92/13/1066449213.db2.gz SRVASZRYISMRAW-IIBYNOLFSA-N 0 0 466.607 4.840 20 0 JJADRN Cn1ccc([C@H]2CCCN(C(=O)[C@@H](Oc3ccccc3Br)c3ccccc3)C2)n1 ZINC001455910652 1066449232 /nfs/dbraw/zinc/44/92/32/1066449232.db2.gz GQIPWFBLZKHZOM-AVRDEDQJSA-N 0 0 454.368 4.709 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)c1 ZINC001361153267 1066449340 /nfs/dbraw/zinc/44/93/40/1066449340.db2.gz WVTJASJJYYPADQ-REWPJTCUSA-N 0 0 467.658 4.605 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC001455910362 1066450079 /nfs/dbraw/zinc/45/00/79/1066450079.db2.gz MOGKEHCFYSEMND-BZOVTKSESA-N 0 0 467.379 4.532 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)O2 ZINC001455912917 1066450110 /nfs/dbraw/zinc/45/01/10/1066450110.db2.gz CKZZPLBQJGJPKL-JLXHKYTDSA-N 0 0 450.366 4.834 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361153405 1066450124 /nfs/dbraw/zinc/45/01/24/1066450124.db2.gz ZKYSFTHYPVRAJE-UNMCSNQZSA-N 0 0 495.624 4.855 20 0 JJADRN CCn1c(SCC(=O)N2CCS[C@]2(C)Cc2ccccc2)nnc1-c1ccccc1C ZINC001455913409 1066450296 /nfs/dbraw/zinc/45/02/96/1066450296.db2.gz AJDXHBNQXPNKPC-XMMPIXPASA-N 0 0 452.649 4.900 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc(CNC(=O)OC(C)(C)C)n1C ZINC001444329602 1066450286 /nfs/dbraw/zinc/45/02/86/1066450286.db2.gz OOWTUMDLDZNNDJ-INIZCTEOSA-N 0 0 453.587 4.780 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545966783 1066450309 /nfs/dbraw/zinc/45/03/09/1066450309.db2.gz KLKCAVDKWSQAJW-LJQANCHMSA-N 0 0 497.596 4.557 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)cc1 ZINC001444331521 1066450436 /nfs/dbraw/zinc/45/04/36/1066450436.db2.gz ZDAFRFSVVTVZHS-JOCHJYFZSA-N 0 0 458.624 4.917 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001361154249 1066450457 /nfs/dbraw/zinc/45/04/57/1066450457.db2.gz GFPNXSIYWBYFGA-UHFFFAOYSA-N 0 0 453.413 4.683 20 0 JJADRN O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001361154263 1066450478 /nfs/dbraw/zinc/45/04/78/1066450478.db2.gz GWIDNTFSHSHMAP-UHFFFAOYSA-N 0 0 452.457 4.801 20 0 JJADRN C[C@@H](C(=O)N1CCS[C@@]1(C)Cc1ccccc1)c1ccc(I)cc1 ZINC001455920798 1066451036 /nfs/dbraw/zinc/45/10/36/1066451036.db2.gz JCABSHVILMYUHM-QRWLVFNGSA-N 0 0 451.373 4.929 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@H]2CCCO2)c1 ZINC001361154484 1066451211 /nfs/dbraw/zinc/45/12/11/1066451211.db2.gz AJBMVPKYOJCBFK-QHCPKHFHSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CC=CCC2)c1 ZINC001361154538 1066451245 /nfs/dbraw/zinc/45/12/45/1066451245.db2.gz BYZPDJSWCKBNQB-LJQANCHMSA-N 0 0 464.532 4.724 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1 ZINC001455921178 1066451747 /nfs/dbraw/zinc/45/17/47/1066451747.db2.gz RSOULSDHVPXAGA-PJJMUABWSA-N 0 0 456.608 4.826 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361154905 1066451732 /nfs/dbraw/zinc/45/17/32/1066451732.db2.gz GTNZCHZXKHSJIV-PMACEKPBSA-N 0 0 469.630 4.623 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC001444343145 1066451782 /nfs/dbraw/zinc/45/17/82/1066451782.db2.gz GWNDZUNNGBNVEK-UHFFFAOYSA-N 0 0 454.530 4.810 20 0 JJADRN O=C([C@H]1COc2ccc(Br)cc21)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001455927470 1066452469 /nfs/dbraw/zinc/45/24/69/1066452469.db2.gz DSKDJAFVXGSFAT-NRFANRHFSA-N 0 0 455.327 4.731 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3oc(COc4ccc(C=O)cc4)cc3C)CC2)s1 ZINC001444350950 1066453082 /nfs/dbraw/zinc/45/30/82/1066453082.db2.gz PJJNBNDBQPHDPY-UHFFFAOYSA-N 0 0 452.576 4.561 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)[C@H]1CCc2nccn2C1 ZINC001455930806 1066453206 /nfs/dbraw/zinc/45/32/06/1066453206.db2.gz WHRPWFKGANDLQD-INIZCTEOSA-N 0 0 458.331 4.798 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2ncccc2N(C)C)c1 ZINC001361155241 1066453717 /nfs/dbraw/zinc/45/37/17/1066453717.db2.gz QHUNYWDWWQVYJU-UHFFFAOYSA-N 0 0 492.668 4.767 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCCC(F)(F)C2)c1 ZINC001361155315 1066453783 /nfs/dbraw/zinc/45/37/83/1066453783.db2.gz RZVOPPINKRIMAB-OAQYLSRUSA-N 0 0 462.585 4.898 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC001455932393 1066453907 /nfs/dbraw/zinc/45/39/07/1066453907.db2.gz YWPQIRVNPWFZOE-HNNXBMFYSA-N 0 0 455.352 4.663 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@H]1c1noc(C2CC2)n1)Cc1ccccc1 ZINC001444360470 1066454338 /nfs/dbraw/zinc/45/43/38/1066454338.db2.gz SKXAZSABSXGYTL-PMACEKPBSA-N 0 0 454.571 4.527 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966928 1066454480 /nfs/dbraw/zinc/45/44/80/1066454480.db2.gz MPDLDLURMHGAJG-MJGOQNOKSA-N 0 0 485.629 4.850 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966927 1066454492 /nfs/dbraw/zinc/45/44/92/1066454492.db2.gz MPDLDLURMHGAJG-IEBWSBKVSA-N 0 0 485.629 4.850 20 0 JJADRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001444357885 1066454500 /nfs/dbraw/zinc/45/45/00/1066454500.db2.gz XJDWSYPZWDGGNS-LJQANCHMSA-N 0 0 455.599 4.922 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)C)CC3)n2CCCN2CCCCCC2=O)c1 ZINC001361155480 1066455176 /nfs/dbraw/zinc/45/51/76/1066455176.db2.gz VAYRDVILVYFRFK-UHFFFAOYSA-N 0 0 497.684 4.660 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)c2ccc(OC)cc2)C1 ZINC001546077732 1066455283 /nfs/dbraw/zinc/45/52/83/1066455283.db2.gz UTSQLPDYFTXHRN-SIBVEZHUSA-N 0 0 450.631 4.969 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1)Cc1ccccc1 ZINC001444360481 1066455331 /nfs/dbraw/zinc/45/53/31/1066455331.db2.gz SKXAZSABSXGYTL-VQTJNVASSA-N 0 0 454.571 4.527 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361155763 1066455616 /nfs/dbraw/zinc/45/56/16/1066455616.db2.gz GFDAJPXTFWBNEJ-LJQANCHMSA-N 0 0 458.557 4.986 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001455936347 1066455774 /nfs/dbraw/zinc/45/57/74/1066455774.db2.gz UEQVCVZYOMVZOG-UHFFFAOYSA-N 0 0 457.452 4.525 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN(C)CC(F)(F)F)C1 ZINC001546077767 1066455791 /nfs/dbraw/zinc/45/57/91/1066455791.db2.gz VUMXXSRAHMOKRL-HSZRJFAPSA-N 0 0 467.580 4.985 20 0 JJADRN CC[C@@H](CNC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)Cc1cccc(Br)c1 ZINC001444367390 1066456042 /nfs/dbraw/zinc/45/60/42/1066456042.db2.gz UOSAOPWKVIZJAF-FLIAMFETSA-N 0 0 465.432 4.827 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCc2ccccn2)c1 ZINC001361155855 1066456309 /nfs/dbraw/zinc/45/63/09/1066456309.db2.gz HEKGMNNGFZYHQD-HSZRJFAPSA-N 0 0 463.626 4.896 20 0 JJADRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)cc1 ZINC001444384652 1066456725 /nfs/dbraw/zinc/45/67/25/1066456725.db2.gz GQWUKVSECUILJO-QGZVFWFLSA-N 0 0 456.995 4.725 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(Br)C2)cs1 ZINC001361156083 1066457624 /nfs/dbraw/zinc/45/76/24/1066457624.db2.gz MWCIINUKKMUZGJ-UHFFFAOYSA-N 0 0 488.455 4.970 20 0 JJADRN C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1-c1ccc(Cl)cc1 ZINC001444395689 1066457581 /nfs/dbraw/zinc/45/75/81/1066457581.db2.gz WOCYMHXAAMELDF-GCTCLWNGSA-N 0 0 458.986 4.850 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)CNC(=O)CCC(C)C ZINC001444395260 1066457593 /nfs/dbraw/zinc/45/75/93/1066457593.db2.gz UYUCFSLLDNOWBQ-ZDUSSCGKSA-N 0 0 452.418 4.611 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCO[C@H](C(F)(F)F)C3)c2c1C ZINC001444402369 1066458019 /nfs/dbraw/zinc/45/80/19/1066458019.db2.gz CPDVDABVDSRZFY-HNNXBMFYSA-N 0 0 453.511 4.863 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361156262 1066458040 /nfs/dbraw/zinc/45/80/40/1066458040.db2.gz RBTXCHAGPXRZJU-IOJLRTSASA-N 0 0 493.574 4.544 20 0 JJADRN COC(=O)c1cc(NC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1SC ZINC001455948952 1066458135 /nfs/dbraw/zinc/45/81/35/1066458135.db2.gz JODWJRRYOCUGMH-OAHLLOKOSA-N 0 0 450.601 4.807 20 0 JJADRN C/C(=C/C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 ZINC001455951688 1066458848 /nfs/dbraw/zinc/45/88/48/1066458848.db2.gz ZRSPERQMZRREKW-YPKPFQOOSA-N 0 0 454.851 4.886 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCOC[C@@H]2CCOC2)c1 ZINC001361156405 1066458801 /nfs/dbraw/zinc/45/88/01/1066458801.db2.gz USFKMUPQUACCSA-SFTDATJTSA-N 0 0 496.574 4.696 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(Cc2cccc(F)c2)C2CCC2)cc1 ZINC001455951704 1066458882 /nfs/dbraw/zinc/45/88/82/1066458882.db2.gz ROOXDYBIMSFWAZ-UHFFFAOYSA-N 0 0 454.571 4.743 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001444404937 1066458973 /nfs/dbraw/zinc/45/89/73/1066458973.db2.gz IYLLQULNZWIAIO-ZDUSSCGKSA-N 0 0 450.841 4.505 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC001444402696 1066458995 /nfs/dbraw/zinc/45/89/95/1066458995.db2.gz MBTASRFCCXQFGY-MMKHEFIASA-N 0 0 451.405 4.679 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156574 1066459227 /nfs/dbraw/zinc/45/92/27/1066459227.db2.gz YTNYZFAGMXUMHH-AZUAARDMSA-N 0 0 465.564 4.594 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001444405039 1066459305 /nfs/dbraw/zinc/45/93/05/1066459305.db2.gz OUEDUVNILMNCRT-UHFFFAOYSA-N 0 0 450.970 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001455953463 1066459535 /nfs/dbraw/zinc/45/95/35/1066459535.db2.gz MBBYETGIQDOROK-KRWDZBQOSA-N 0 0 456.839 4.880 20 0 JJADRN C[C@H](OC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1nc2ccc(Cl)cc2n1C ZINC001361157668 1066460623 /nfs/dbraw/zinc/46/06/23/1066460623.db2.gz VRVZHQXGQNCOPT-STQMWFEESA-N 0 0 456.955 4.802 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001444417520 1066460686 /nfs/dbraw/zinc/46/06/86/1066460686.db2.gz LYDZCONHDYHITE-UHFFFAOYSA-N 0 0 450.004 4.977 20 0 JJADRN O=C(Oc1ccccc1C(=O)OCc1ccc(Br)cc1)c1ccnc(C2CC2)n1 ZINC001455959959 1066460749 /nfs/dbraw/zinc/46/07/49/1066460749.db2.gz KWSFNEXCSJUOEX-UHFFFAOYSA-N 0 0 453.292 4.693 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC2CCCCC2)c1 ZINC001361158916 1066461738 /nfs/dbraw/zinc/46/17/38/1066461738.db2.gz IJNVEDYVCNXRSK-UHFFFAOYSA-N 0 0 467.658 4.749 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC2(C)CCC2)c1 ZINC001361159086 1066462997 /nfs/dbraw/zinc/46/29/97/1066462997.db2.gz OCEJWXICYBOXCU-UHFFFAOYSA-N 0 0 483.657 4.969 20 0 JJADRN CC(C)(C)c1nsc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)n1 ZINC001455969515 1066463104 /nfs/dbraw/zinc/46/31/04/1066463104.db2.gz VYYWDCZWTBAOQL-UHFFFAOYSA-N 0 0 455.243 4.711 20 0 JJADRN Cc1ccc(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1OCC1CCCCC1 ZINC001444469002 1066463168 /nfs/dbraw/zinc/46/31/68/1066463168.db2.gz GHJVBHVLZUPQLA-UHFFFAOYSA-N 0 0 459.631 4.882 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001546078000 1066464011 /nfs/dbraw/zinc/46/40/11/1066464011.db2.gz ZQNVTWOEKLDJRH-QHCPKHFHSA-N 0 0 476.547 4.756 20 0 JJADRN COc1cc(CNC(=O)c2ccc(Oc3cccc(F)c3)cn2)ccc1OCc1cccnc1 ZINC001444472515 1066464051 /nfs/dbraw/zinc/46/40/51/1066464051.db2.gz ZFHPPYQCEZRDTQ-UHFFFAOYSA-N 0 0 459.477 4.926 20 0 JJADRN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001455973093 1066464321 /nfs/dbraw/zinc/46/43/21/1066464321.db2.gz DUUIOCQHKPDGJV-UHFFFAOYSA-N 0 0 456.862 4.657 20 0 JJADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001455974332 1066464348 /nfs/dbraw/zinc/46/43/48/1066464348.db2.gz ADFNPIAEBHTTKW-MRXNPFEDSA-N 0 0 457.646 4.769 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC001444480316 1066465133 /nfs/dbraw/zinc/46/51/33/1066465133.db2.gz HDDBZYMOLPCOAC-QTEAWJPNSA-N 0 0 450.000 4.903 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccc(C)nc4s3)c2)cc1 ZINC001455976254 1066465183 /nfs/dbraw/zinc/46/51/83/1066465183.db2.gz GWNSBAGDEPQTND-UHFFFAOYSA-N 0 0 452.561 4.670 20 0 JJADRN O=C(NC1(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1)OCc1ccccc1 ZINC001455976705 1066465244 /nfs/dbraw/zinc/46/52/44/1066465244.db2.gz MMQQBTAWVFWUIZ-UHFFFAOYSA-N 0 0 452.457 4.941 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2ccco2)c1 ZINC001361159713 1066465169 /nfs/dbraw/zinc/46/51/69/1066465169.db2.gz IIBTZMMWTWFETM-HXUWFJFHSA-N 0 0 481.597 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)on2)CC1 ZINC001444480341 1066465271 /nfs/dbraw/zinc/46/52/71/1066465271.db2.gz HHDDCOREHQVJTI-SFTDATJTSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCC(C)(C)C)c1 ZINC001361159983 1066465858 /nfs/dbraw/zinc/46/58/58/1066465858.db2.gz QNRYRQYBVQWSDH-UHFFFAOYSA-N 0 0 467.580 4.985 20 0 JJADRN O=C(N1CCC(OC[C@@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001546078128 1066465940 /nfs/dbraw/zinc/46/59/40/1066465940.db2.gz CXFMDLLKVWGBMR-GOSISDBHSA-N 0 0 450.417 4.695 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001455983170 1066466534 /nfs/dbraw/zinc/46/65/34/1066466534.db2.gz MWZPEUFMOYLIMB-INIZCTEOSA-N 0 0 456.388 4.930 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC001455983093 1066466550 /nfs/dbraw/zinc/46/65/50/1066466550.db2.gz HTJILJPUZJIKKP-UHFFFAOYSA-N 0 0 454.445 4.626 20 0 JJADRN COc1cc(CN(C)C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)c(SC)cc1OC ZINC001444489730 1066466720 /nfs/dbraw/zinc/46/67/20/1066466720.db2.gz QDZKVGORKWSPFL-HXUWFJFHSA-N 0 0 453.482 4.791 20 0 JJADRN C[C@@H](OC(=O)[C@@]1(C)CC1(Br)Br)c1nc2cc(Cl)ccc2n1C ZINC001361161320 1066467137 /nfs/dbraw/zinc/46/71/37/1066467137.db2.gz WYMALVAHXQEZMP-XLKFXECMSA-N 0 0 450.558 4.727 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccc(Br)o3)cc2NC(=O)COC(F)(F)F)c1 ZINC001444495589 1066467593 /nfs/dbraw/zinc/46/75/93/1066467593.db2.gz BTRFNBZKALVSED-UHFFFAOYSA-N 0 0 458.234 4.987 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493869 1066467625 /nfs/dbraw/zinc/46/76/25/1066467625.db2.gz ZDCDLQJZRVFXEJ-GOEBONIOSA-N 0 0 451.336 4.894 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc(OC)c1OCc1ccccc1 ZINC001361161611 1066467819 /nfs/dbraw/zinc/46/78/19/1066467819.db2.gz RWCKLSCUMHPZPV-LJQANCHMSA-N 0 0 457.530 4.960 20 0 JJADRN COc1cc(C=CC(=O)Nc2cc3n[nH]cc3c(C(F)(F)F)c2)cc(Br)c1O ZINC001455989657 1066468523 /nfs/dbraw/zinc/46/85/23/1066468523.db2.gz KRYLOCDDMSOIMB-NSCUHMNNSA-N 0 0 456.218 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCCC(C)(C)C)c1 ZINC001361161958 1066468462 /nfs/dbraw/zinc/46/84/62/1066468462.db2.gz DHLZIAPOTSAWLL-HHHXNRCGSA-N 0 0 480.657 4.786 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C1 ZINC001444505758 1066468768 /nfs/dbraw/zinc/46/87/68/1066468768.db2.gz JHBVQKUOEJQAAK-MRXNPFEDSA-N 0 0 459.015 4.538 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361162049 1066468968 /nfs/dbraw/zinc/46/89/68/1066468968.db2.gz GRESBQRCLJJURE-XMMPIXPASA-N 0 0 497.606 4.609 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@]2(C)CCCS2)c1 ZINC001361162027 1066468985 /nfs/dbraw/zinc/46/89/85/1066468985.db2.gz GCVUZIMTZMYAOP-WIYYLYMNSA-N 0 0 470.561 4.527 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361162156 1066469057 /nfs/dbraw/zinc/46/90/57/1066469057.db2.gz JJEDMBYCLLOGRZ-RLWLMLJZSA-N 0 0 454.615 4.808 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 ZINC001455993699 1066469193 /nfs/dbraw/zinc/46/91/93/1066469193.db2.gz VBHUXBLLZHVWKM-UHFFFAOYSA-N 0 0 459.413 4.680 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[C@H]2CCCCO2)c1 ZINC001361162220 1066469315 /nfs/dbraw/zinc/46/93/15/1066469315.db2.gz KSQDLCMIBIYLOR-VWNXMTODSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361162219 1066469507 /nfs/dbraw/zinc/46/95/07/1066469507.db2.gz KSQDLCMIBIYLOR-UPVQGACJSA-N 0 0 456.631 4.684 20 0 JJADRN C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)C(=O)c1ccc(Cl)cc1 ZINC001444507327 1066469595 /nfs/dbraw/zinc/46/95/95/1066469595.db2.gz AWYCJIMDGYJVIF-IIBYNOLFSA-N 0 0 454.954 4.504 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(-c3cccc(Cl)c3Cl)[nH]n2)CC1 ZINC001456003118 1066470334 /nfs/dbraw/zinc/47/03/34/1066470334.db2.gz ZOPKQSNBPUAURN-GFCCVEGCSA-N 0 0 455.411 4.560 20 0 JJADRN O=C(Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1)c1cncc(I)c1 ZINC001456000899 1066470357 /nfs/dbraw/zinc/47/03/57/1066470357.db2.gz UHSZKIWIQYYKTG-UHFFFAOYSA-N 0 0 459.074 4.635 20 0 JJADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC001444511762 1066470902 /nfs/dbraw/zinc/47/09/02/1066470902.db2.gz VMYHJJLPZGDMGX-JYLXEMOASA-N 0 0 456.656 4.763 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001361162987 1066471601 /nfs/dbraw/zinc/47/16/01/1066471601.db2.gz UINQHCKNDJSDBI-HSZRJFAPSA-N 0 0 452.599 4.983 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361163196 1066471765 /nfs/dbraw/zinc/47/17/65/1066471765.db2.gz KTMFDBWRRBWVHM-GJZUVCINSA-N 0 0 472.699 4.993 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccc(C)c2NC(=O)c2ccncc2)cc1 ZINC001444514525 1066471961 /nfs/dbraw/zinc/47/19/61/1066471961.db2.gz VPDADFDOJLDIHP-DEOSSOPVSA-N 0 0 457.574 4.815 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H](C)OCc1ccccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456013252 1066472517 /nfs/dbraw/zinc/47/25/17/1066472517.db2.gz CZOSMSRCKIXNMT-QYXIYQDXSA-N 0 0 451.611 4.670 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361163316 1066472622 /nfs/dbraw/zinc/47/26/22/1066472622.db2.gz XADBIQUSSBPWAC-UHFFFAOYSA-N 0 0 456.631 4.542 20 0 JJADRN CCN1CCN(C(=O)c2cccn2-c2cccc(I)c2)c2ccccc21 ZINC001456013566 1066472608 /nfs/dbraw/zinc/47/26/08/1066472608.db2.gz UKGSYVKWOTXQIR-UHFFFAOYSA-N 0 0 457.315 4.569 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361163327 1066472657 /nfs/dbraw/zinc/47/26/57/1066472657.db2.gz MNXIIPXYMALMAM-CUBQBAPOSA-N 0 0 484.685 4.914 20 0 JJADRN CCC(CC)[C@H](C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1)N1CCOCC1 ZINC001456015259 1066473318 /nfs/dbraw/zinc/47/33/18/1066473318.db2.gz FNMZVXNPHDGCDQ-HXUWFJFHSA-N 0 0 453.370 4.651 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCSC(C)C)c1 ZINC001361163654 1066473341 /nfs/dbraw/zinc/47/33/41/1066473341.db2.gz ZYWMRHFWJIWFJY-JOCHJYFZSA-N 0 0 456.612 4.786 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361163479 1066473384 /nfs/dbraw/zinc/47/33/84/1066473384.db2.gz YLYOMDBPAJGUQE-CIAFKFPVSA-N 0 0 456.631 4.681 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCn2cc(Cl)cn2)c1 ZINC001361163802 1066474093 /nfs/dbraw/zinc/47/40/93/1066474093.db2.gz QQIOUMKMXRPPHH-SJLPKXTDSA-N 0 0 482.938 4.659 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N[C@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)s1 ZINC001456015448 1066474143 /nfs/dbraw/zinc/47/41/43/1066474143.db2.gz JMFVFSIHOKZSEH-FVJLSDCUSA-N 0 0 458.628 4.624 20 0 JJADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2 ZINC001444549843 1066474314 /nfs/dbraw/zinc/47/43/14/1066474314.db2.gz GJQVMNIEOUADTA-IAGOWNOFSA-N 0 0 454.514 4.529 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361164093 1066474854 /nfs/dbraw/zinc/47/48/54/1066474854.db2.gz VGJGLAFATRWAHY-IBGZPJMESA-N 0 0 497.631 4.690 20 0 JJADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc(Nc3ccc(Cl)cc3)c(Cl)c1)CC2 ZINC001444556887 1066475029 /nfs/dbraw/zinc/47/50/29/1066475029.db2.gz MXGALQRESZDBSE-MOPGFXCFSA-N 0 0 450.366 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361164189 1066475791 /nfs/dbraw/zinc/47/57/91/1066475791.db2.gz YAOBKDWMTZFFRX-FQEVSTJZSA-N 0 0 489.686 4.673 20 0 JJADRN CO[C@H](C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1Br ZINC001444561451 1066476222 /nfs/dbraw/zinc/47/62/22/1066476222.db2.gz DNAFKKSQKCRLPY-PMACEKPBSA-N 0 0 452.776 4.762 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(CC4CC4)n3CCCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166224 1066477050 /nfs/dbraw/zinc/47/70/50/1066477050.db2.gz QTLRVTLKCAZZMG-UHFFFAOYSA-N 0 0 463.592 4.981 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001361166499 1066477604 /nfs/dbraw/zinc/47/76/04/1066477604.db2.gz WNKODJSENKGDOC-UHFFFAOYSA-N 0 0 461.570 4.572 20 0 JJADRN COCCOc1cc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)nc2ccccc21 ZINC001456020951 1066477688 /nfs/dbraw/zinc/47/76/88/1066477688.db2.gz WWEJBGZYUNUPFH-UHFFFAOYSA-N 0 0 456.498 4.869 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCN(CC(C)C)C(=O)[C@H]3C)co2)cc1 ZINC001361166855 1066478367 /nfs/dbraw/zinc/47/83/67/1066478367.db2.gz ARZLZNHWQMRWOU-OAQYLSRUSA-N 0 0 492.668 4.766 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)c(Br)c(Cl)c1 ZINC001456021460 1066478386 /nfs/dbraw/zinc/47/83/86/1066478386.db2.gz MRCWHAHOUXFRKQ-UHFFFAOYSA-N 0 0 459.102 4.918 20 0 JJADRN O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001456021208 1066478455 /nfs/dbraw/zinc/47/84/55/1066478455.db2.gz RXHPZXMLEBOHTJ-UHFFFAOYSA-N 0 0 454.299 4.996 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001456022130 1066479168 /nfs/dbraw/zinc/47/91/68/1066479168.db2.gz YAVSAAXIMKCWRJ-SFHVURJKSA-N 0 0 454.567 4.809 20 0 JJADRN Cc1c(CN(C)c2nnc(CC(C)(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)cnn1C ZINC001361167080 1066479252 /nfs/dbraw/zinc/47/92/52/1066479252.db2.gz GNIZLAXINZMTLA-UHFFFAOYSA-N 0 0 461.614 4.751 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC4CCCC4)n3CCCN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361166883 1066479308 /nfs/dbraw/zinc/47/93/08/1066479308.db2.gz BBVAJSVSHHPOCA-NDEPHWFRSA-N 0 0 497.684 4.674 20 0 JJADRN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595571 1066479430 /nfs/dbraw/zinc/47/94/30/1066479430.db2.gz FSWSFUMXUZQQQQ-INIZCTEOSA-N 0 0 456.315 4.713 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444601175 1066480176 /nfs/dbraw/zinc/48/01/76/1066480176.db2.gz JPEHGNGHAXAJTP-IRLDBZIGSA-N 0 0 454.542 4.903 20 0 JJADRN O=C(Nc1cccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1)c1ccco1 ZINC001456027020 1066480583 /nfs/dbraw/zinc/48/05/83/1066480583.db2.gz FLFAPVVPWYZJMY-JOCHJYFZSA-N 0 0 451.954 4.970 20 0 JJADRN Cn1cnnc1CC1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC001456024979 1066480625 /nfs/dbraw/zinc/48/06/25/1066480625.db2.gz CFTZLUVGMVZKHP-UHFFFAOYSA-N 0 0 450.486 4.537 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCCCNC(=O)OC(C)(C)C)C2)cc1 ZINC001361167500 1066480513 /nfs/dbraw/zinc/48/05/13/1066480513.db2.gz RVSWUMLOXYHKLM-MHZLTWQESA-N 0 0 485.673 4.578 20 0 JJADRN Cc1cc2nc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N4CCC(C)CC4)c3)oc2c(C)c1 ZINC001361167970 1066481446 /nfs/dbraw/zinc/48/14/46/1066481446.db2.gz AILVQKYBYIRJLL-UHFFFAOYSA-N 0 0 455.580 4.734 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CCC(C)C)C2)cc1 ZINC001361167810 1066481545 /nfs/dbraw/zinc/48/15/45/1066481545.db2.gz WUWARTGENOSLHG-ZIHSNCGMSA-N 0 0 483.657 4.501 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444608038 1066481546 /nfs/dbraw/zinc/48/15/46/1066481546.db2.gz TWFKXVYELIMEHG-IRLDBZIGSA-N 0 0 454.542 4.556 20 0 JJADRN Cc1cnc(N2CCN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)s1 ZINC001444608839 1066481622 /nfs/dbraw/zinc/48/16/22/1066481622.db2.gz MWBMLPCKFTWEOO-UHFFFAOYSA-N 0 0 453.420 4.773 20 0 JJADRN CC(C)n1cc2cc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)ccc2n1 ZINC001444610595 1066481676 /nfs/dbraw/zinc/48/16/76/1066481676.db2.gz OVSPHBCCXMOSCI-UHFFFAOYSA-N 0 0 452.511 4.809 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC001361168732 1066482047 /nfs/dbraw/zinc/48/20/47/1066482047.db2.gz YCNFICZQQJLQMA-UHFFFAOYSA-N 0 0 456.178 4.675 20 0 JJADRN COc1cc(CCc2cc(NC(=O)C=C(C)c3ccccc3OC(F)F)n[nH]2)cc(OC)c1 ZINC001444609881 1066482169 /nfs/dbraw/zinc/48/21/69/1066482169.db2.gz XTCFTGGIMAERHY-XNTDXEJSSA-N 0 0 457.477 4.856 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCn2cncn2)cc1Br ZINC001361169478 1066483628 /nfs/dbraw/zinc/48/36/28/1066483628.db2.gz FPZFTNDPIIWTJC-HNNXBMFYSA-N 0 0 472.416 4.567 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)o1 ZINC001456032406 1066483736 /nfs/dbraw/zinc/48/37/36/1066483736.db2.gz OEGZYURKQRWJMT-UHFFFAOYSA-N 0 0 455.938 4.999 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1cc2sc(Nc3ccccc3C)nc2s1 ZINC001444614867 1066483672 /nfs/dbraw/zinc/48/36/72/1066483672.db2.gz NLGLIOSXNRQLIB-UHFFFAOYSA-N 0 0 454.577 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2CCNC(=O)C(C)C)o1 ZINC001361169732 1066483987 /nfs/dbraw/zinc/48/39/87/1066483987.db2.gz AKZWGQWRIVQUJS-SFHVURJKSA-N 0 0 492.393 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CCOc2ncccc2F)o1 ZINC001361169815 1066484697 /nfs/dbraw/zinc/48/46/97/1066484697.db2.gz BPPDBCQIWARVLB-KRWDZBQOSA-N 0 0 465.529 4.623 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361169751 1066484740 /nfs/dbraw/zinc/48/47/40/1066484740.db2.gz JYQOAQRTRZMPFW-DNVCBOLYSA-N 0 0 486.414 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2Cc2ccn(C)n2)cc1Br ZINC001361169804 1066484747 /nfs/dbraw/zinc/48/47/47/1066484747.db2.gz BJQCCROVWGSUNP-BEFAXECRSA-N 0 0 457.420 4.813 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC001456035317 1066485880 /nfs/dbraw/zinc/48/58/80/1066485880.db2.gz QWNGNORAQLLOHH-GOSISDBHSA-N 0 0 459.493 4.981 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCCN2CCCCC2=O)o1 ZINC001361170534 1066485860 /nfs/dbraw/zinc/48/58/60/1066485860.db2.gz OLXUKNALPDURTG-QGZVFWFLSA-N 0 0 457.525 4.725 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444629342 1066486025 /nfs/dbraw/zinc/48/60/25/1066486025.db2.gz UOETWGNBWZZZND-CXAGYDPISA-N 0 0 459.812 4.797 20 0 JJADRN C[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444629345 1066486152 /nfs/dbraw/zinc/48/61/52/1066486152.db2.gz UOETWGNBWZZZND-SUMWQHHRSA-N 0 0 459.812 4.797 20 0 JJADRN CC[C@H](C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456037480 1066486245 /nfs/dbraw/zinc/48/62/45/1066486245.db2.gz HWUIJXMEFBYWHG-FZKQIMNGSA-N 0 0 451.880 4.711 20 0 JJADRN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(I)c(F)cc1F ZINC001456037612 1066486271 /nfs/dbraw/zinc/48/62/71/1066486271.db2.gz JSIXQHVBAWDATL-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCNC(=O)Cc2cccc(F)c2)o1 ZINC001361171179 1066486495 /nfs/dbraw/zinc/48/64/95/1066486495.db2.gz SFNTWRIPSWGNJC-QGZVFWFLSA-N 0 0 467.570 4.603 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545968300 1066487431 /nfs/dbraw/zinc/48/74/31/1066487431.db2.gz BXBWXBBSLSJHOB-IBGZPJMESA-N 0 0 483.016 4.582 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc(Br)c1 ZINC001456041159 1066487958 /nfs/dbraw/zinc/48/79/58/1066487958.db2.gz WDFDDZCGICDEDL-HNNXBMFYSA-N 0 0 458.581 4.874 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cc1 ZINC001444648620 1066488097 /nfs/dbraw/zinc/48/80/97/1066488097.db2.gz KTOPLPFAOJNNHV-KNQAVFIVSA-N 0 0 455.603 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)o1 ZINC001361171934 1066488688 /nfs/dbraw/zinc/48/86/88/1066488688.db2.gz UMMAYYRQPAILBK-IYARVYRRSA-N 0 0 461.582 4.820 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001456041990 1066488889 /nfs/dbraw/zinc/48/88/89/1066488889.db2.gz ZTPNFOAAEUITLN-XMSQKQJNSA-N 0 0 459.468 4.528 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC001456042282 1066488924 /nfs/dbraw/zinc/48/89/24/1066488924.db2.gz YYLVEUKPDMBCLA-UHFFFAOYSA-N 0 0 450.347 4.642 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361172022 1066489248 /nfs/dbraw/zinc/48/92/48/1066489248.db2.gz YBPRPNQPSRXPGY-LHEBDHONSA-N 0 0 450.555 4.869 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2CCCC(=O)NC2CC2)cc1Br ZINC001361172102 1066489284 /nfs/dbraw/zinc/48/92/84/1066489284.db2.gz ZAKNYBBGVGZIOD-INIZCTEOSA-N 0 0 486.414 4.865 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)Nc1cc(Br)ccc1Cl ZINC001361172864 1066490113 /nfs/dbraw/zinc/49/01/13/1066490113.db2.gz KYIDEUIRAXUWRU-SNVBAGLBSA-N 0 0 458.537 4.930 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001361172462 1066490162 /nfs/dbraw/zinc/49/01/62/1066490162.db2.gz DGRHWAKKMFCXRS-QFIPXVFZSA-N 0 0 454.680 4.967 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@H]1CCCN1Cc1ccccn1 ZINC001444665879 1066490283 /nfs/dbraw/zinc/49/02/83/1066490283.db2.gz IUPBJBBAFNGOJS-JOCHJYFZSA-N 0 0 456.428 4.827 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456045715 1066490576 /nfs/dbraw/zinc/49/05/76/1066490576.db2.gz CPQCRDRPIHBLNM-JOCHJYFZSA-N 0 0 452.576 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361173383 1066490584 /nfs/dbraw/zinc/49/05/84/1066490584.db2.gz GSIMYNZNLYDZJO-WKCHPHFGSA-N 0 0 465.598 4.742 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccccc1Cl ZINC001444669738 1066490858 /nfs/dbraw/zinc/49/08/58/1066490858.db2.gz SCZMJOQSZCCFGO-RXVVDRJESA-N 0 0 456.970 4.811 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1n[nH]cc1Br ZINC001444668322 1066490878 /nfs/dbraw/zinc/49/08/78/1066490878.db2.gz RCSSJUYADVXYMG-UHFFFAOYSA-N 0 0 451.118 4.766 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@]2(O)CCCC2(C)C)cc1Br ZINC001361174118 1066491288 /nfs/dbraw/zinc/49/12/88/1066491288.db2.gz MYDRKTQQZATWQJ-HTAPYJJXSA-N 0 0 479.488 4.899 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001456046303 1066491243 /nfs/dbraw/zinc/49/12/43/1066491243.db2.gz DZKWYLBUJQERQG-YVEFUNNKSA-N 0 0 453.395 4.562 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001456047166 1066491692 /nfs/dbraw/zinc/49/16/92/1066491692.db2.gz PPDHKWPLGFWRCI-JOCHJYFZSA-N 0 0 453.995 4.987 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001444674156 1066491504 /nfs/dbraw/zinc/49/15/04/1066491504.db2.gz PZOGNPOURXCBQV-GOSISDBHSA-N 0 0 457.785 4.773 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCCNc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001444674898 1066491687 /nfs/dbraw/zinc/49/16/87/1066491687.db2.gz WFMVKIIMMBRXMM-BDYUSTAISA-N 0 0 457.574 4.716 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CN(Cc2ccccc2)c2ccccc2)c1C ZINC001456047236 1066491701 /nfs/dbraw/zinc/49/17/01/1066491701.db2.gz HJHXOIZOXJDVGM-VWLOTQADSA-N 0 0 459.615 4.850 20 0 JJADRN O=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001456047996 1066492175 /nfs/dbraw/zinc/49/21/75/1066492175.db2.gz MUUWRLAYLCNKIG-UHFFFAOYSA-N 0 0 450.347 4.576 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001444677653 1066492280 /nfs/dbraw/zinc/49/22/80/1066492280.db2.gz UVFFYDYSRODYFO-KBPBESRZSA-N 0 0 454.785 4.550 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)C(C)C)cc1 ZINC001456047672 1066492356 /nfs/dbraw/zinc/49/23/56/1066492356.db2.gz DDLZGJWRVZULOP-LJAQVGFWSA-N 0 0 450.626 4.740 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)cc(F)c1Br ZINC001456049705 1066492723 /nfs/dbraw/zinc/49/27/23/1066492723.db2.gz PVTCEUODMAZNAC-HNNXBMFYSA-N 0 0 457.752 4.704 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001456049491 1066492751 /nfs/dbraw/zinc/49/27/51/1066492751.db2.gz NINLFVHWKGFWGU-HNNXBMFYSA-N 0 0 456.486 4.523 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)c1C ZINC001456049562 1066492856 /nfs/dbraw/zinc/49/28/56/1066492856.db2.gz NQHOIHIFWRSRSR-UYAOXDASSA-N 0 0 459.409 4.636 20 0 JJADRN CCOC(=O)c1cnc(C)c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1 ZINC001444678718 1066492841 /nfs/dbraw/zinc/49/28/41/1066492841.db2.gz WFCJAHGHZGZBDQ-UHFFFAOYSA-N 0 0 459.384 4.961 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001444681083 1066492935 /nfs/dbraw/zinc/49/29/35/1066492935.db2.gz PHMOKURXWPFYDP-IBGZPJMESA-N 0 0 450.391 4.738 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2Cc2cnn(CC(C)C)c2C)o1 ZINC001361175564 1066493381 /nfs/dbraw/zinc/49/33/81/1066493381.db2.gz RINHVTJRPXPPAB-UHFFFAOYSA-N 0 0 496.015 4.784 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Sc2nc3ccccc3s2)cc1C ZINC001456050169 1066493363 /nfs/dbraw/zinc/49/33/63/1066493363.db2.gz LTWLFDQIEUKWPW-MAUKXSAKSA-N 0 0 457.646 4.934 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC001456051178 1066493380 /nfs/dbraw/zinc/49/33/80/1066493380.db2.gz OESQQTWAASMHSG-IBGZPJMESA-N 0 0 458.008 4.855 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CCOc2ccc(Cl)cn2)o1 ZINC001361175707 1066493419 /nfs/dbraw/zinc/49/34/19/1066493419.db2.gz VHCAQPABNSCHAY-UHFFFAOYSA-N 0 0 494.983 4.666 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001444689987 1066493459 /nfs/dbraw/zinc/49/34/59/1066493459.db2.gz UVQWASIWSVRGPK-MRXNPFEDSA-N 0 0 450.343 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N=[S@]2(=O)CCc3ccccc32)(c2ccccc2)CC1 ZINC001456051664 1066493630 /nfs/dbraw/zinc/49/36/30/1066493630.db2.gz SVNCIINLGPVHDY-YTTGMZPUSA-N 0 0 454.592 4.565 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001456053685 1066494572 /nfs/dbraw/zinc/49/45/72/1066494572.db2.gz WEMBESJRANOMEC-IBGZPJMESA-N 0 0 458.008 4.850 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001444705563 1066495027 /nfs/dbraw/zinc/49/50/27/1066495027.db2.gz KGHPNKOXMSIXCH-QGZVFWFLSA-N 0 0 458.584 4.973 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc1OC ZINC001361177185 1066495234 /nfs/dbraw/zinc/49/52/34/1066495234.db2.gz VNQBNLLKGPFEJJ-HNNXBMFYSA-N 0 0 458.356 4.923 20 0 JJADRN COc1cccc([C@H](O)C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001444712473 1066496690 /nfs/dbraw/zinc/49/66/90/1066496690.db2.gz WCBAADWKKNGILO-LADGPHEKSA-N 0 0 454.364 4.765 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC001456058037 1066497358 /nfs/dbraw/zinc/49/73/58/1066497358.db2.gz YCNWBRJMNMKVIF-YJBOKZPZSA-N 0 0 451.361 4.622 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)cc(Br)c2)c(C)c1 ZINC001456058204 1066497364 /nfs/dbraw/zinc/49/73/64/1066497364.db2.gz YPKDPVNCYVNYSB-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC001456058039 1066497408 /nfs/dbraw/zinc/49/74/08/1066497408.db2.gz TYPBMOXRJMZDTQ-OAQYLSRUSA-N 0 0 450.560 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NCCc2nc3cc(F)ccc3[nH]2)CC1 ZINC001444726268 1066497407 /nfs/dbraw/zinc/49/74/07/1066497407.db2.gz FLQQLUNLGDKADP-GOSISDBHSA-N 0 0 458.578 4.568 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1C ZINC001456060136 1066497930 /nfs/dbraw/zinc/49/79/30/1066497930.db2.gz WCBCBVWICHQESN-HXUWFJFHSA-N 0 0 455.580 4.644 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CCCOC2CCCCC2)o1 ZINC001361178550 1066498750 /nfs/dbraw/zinc/49/87/50/1066498750.db2.gz NWOYOSZWRIYRBB-UHFFFAOYSA-N 0 0 486.638 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361178169 1066498857 /nfs/dbraw/zinc/49/88/57/1066498857.db2.gz HGRNTMNUXPJBIC-UHFFFAOYSA-N 0 0 453.493 4.992 20 0 JJADRN COC[C@@](C)(O)CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC001444736347 1066499421 /nfs/dbraw/zinc/49/94/21/1066499421.db2.gz IGLMVKSESNAOMN-FHWWYNCCSA-N 0 0 454.929 4.641 20 0 JJADRN CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067005 1066500098 /nfs/dbraw/zinc/50/00/98/1066500098.db2.gz PMMXSGKVZBOPKT-SVBPBHIXSA-N 0 0 457.574 4.957 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546078984 1066500189 /nfs/dbraw/zinc/50/01/89/1066500189.db2.gz CXPIYUYBSNKBDV-IPBJYNAHSA-N 0 0 464.701 4.753 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)CC2)cc1 ZINC001456067945 1066500604 /nfs/dbraw/zinc/50/06/04/1066500604.db2.gz PPHCFDFGUQQOHS-IBGZPJMESA-N 0 0 451.586 4.651 20 0 JJADRN C[C@](O)(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1F ZINC001444747994 1066500800 /nfs/dbraw/zinc/50/08/00/1066500800.db2.gz KOTGGWAVKFBPFP-FQEVSTJZSA-N 0 0 456.436 4.674 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545968996 1066501129 /nfs/dbraw/zinc/50/11/29/1066501129.db2.gz PFHHXOQHZJZTKB-GUDVDZBRSA-N 0 0 459.660 4.887 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)c1nc(C(F)(F)F)cs1 ZINC001444749931 1066501144 /nfs/dbraw/zinc/50/11/44/1066501144.db2.gz WOELJSDYQNFYPJ-HOCLYGCPSA-N 0 0 454.518 4.982 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001444749765 1066501308 /nfs/dbraw/zinc/50/13/08/1066501308.db2.gz URDRRFPDGLGNTH-XWIAVFTESA-N 0 0 458.274 4.747 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCO[C@@H]2CCCC[C@@H]2C)o1 ZINC001361180692 1066501571 /nfs/dbraw/zinc/50/15/71/1066501571.db2.gz FYEHHGLWFWDWGU-MAUKXSAKSA-N 0 0 480.535 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)n2C[C@@]2(O)CCCC2(C)C)o1 ZINC001361180920 1066501671 /nfs/dbraw/zinc/50/16/71/1066501671.db2.gz AYHQHZPIQAHFHN-CJAUYULYSA-N 0 0 486.617 4.541 20 0 JJADRN CC(C)CC[C@](C)(O)CNC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001444754703 1066501745 /nfs/dbraw/zinc/50/17/45/1066501745.db2.gz RFTMFLJPPDFKDU-QHCPKHFHSA-N 0 0 456.384 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361181002 1066502042 /nfs/dbraw/zinc/50/20/42/1066502042.db2.gz CTGGIKYPTYPPCE-UHFFFAOYSA-N 0 0 492.834 4.659 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)c2cc(Br)c(C)cc2OC)C2CC2)nc1C ZINC001456071348 1066502070 /nfs/dbraw/zinc/50/20/70/1066502070.db2.gz BRXLAVBTBGSSBX-UHFFFAOYSA-N 0 0 453.358 4.517 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc(OC)c1OC ZINC001456075725 1066503544 /nfs/dbraw/zinc/50/35/44/1066503544.db2.gz KSYYHSYTBUPASC-UHFFFAOYSA-N 0 0 455.536 4.823 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181574 1066503657 /nfs/dbraw/zinc/50/36/57/1066503657.db2.gz OWJHOXRQRXSSJL-MAUKXSAKSA-N 0 0 472.615 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC2CC(C)(C)C2)cc1Br ZINC001361181526 1066503769 /nfs/dbraw/zinc/50/37/69/1066503769.db2.gz MNJAIBLRDQOWRP-UHFFFAOYSA-N 0 0 455.404 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCc2ccc(F)c(F)c2F)o1 ZINC001361181585 1066503812 /nfs/dbraw/zinc/50/38/12/1066503812.db2.gz PJKAQKAJFXFNBJ-UHFFFAOYSA-N 0 0 464.879 4.530 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCSCc2ccccc2)o1 ZINC001361181786 1066504222 /nfs/dbraw/zinc/50/42/22/1066504222.db2.gz WSKCUMKZQIVQEL-UHFFFAOYSA-N 0 0 457.003 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCN(C(=O)OC(C)(C)C)C2CC2)o1 ZINC001361181843 1066504276 /nfs/dbraw/zinc/50/42/76/1066504276.db2.gz YDOKNRFMOQMOQV-UHFFFAOYSA-N 0 0 472.615 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3csc(Br)c3)n2C[C@H]2CCCCO2)o1 ZINC001361181881 1066504746 /nfs/dbraw/zinc/50/47/46/1066504746.db2.gz ZLBDNLGVDPFSBW-OAHLLOKOSA-N 0 0 451.390 4.876 20 0 JJADRN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)c1 ZINC001444797606 1066505013 /nfs/dbraw/zinc/50/50/13/1066505013.db2.gz MWACOWOYUMBAAP-UHFFFAOYSA-N 0 0 454.508 4.538 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545969307 1066505025 /nfs/dbraw/zinc/50/50/25/1066505025.db2.gz VOBOCBWYDMSEMK-POAQFYNOSA-N 0 0 468.577 4.591 20 0 JJADRN CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Br)cc1 ZINC001456078839 1066505079 /nfs/dbraw/zinc/50/50/79/1066505079.db2.gz RQCDUGJHEVVJRK-QGZVFWFLSA-N 0 0 455.299 4.956 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2)nnc1N(C)CCCc1ccccn1)NC(=O)OC(C)(C)C ZINC001545969257 1066505229 /nfs/dbraw/zinc/50/52/29/1066505229.db2.gz UVQGEXUYAMEMIE-OAQYLSRUSA-N 0 0 464.614 4.712 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC3)n2CCC(=O)NC2CCCCC2)cc1Br ZINC001361183177 1066505496 /nfs/dbraw/zinc/50/54/96/1066505496.db2.gz GYXHRFSBGZPHEF-UHFFFAOYSA-N 0 0 474.447 4.701 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)c2)o1 ZINC001361183345 1066505519 /nfs/dbraw/zinc/50/55/19/1066505519.db2.gz RAWJPCIWTAZTFV-UHFFFAOYSA-N 0 0 458.341 4.620 20 0 JJADRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001444800321 1066505563 /nfs/dbraw/zinc/50/55/63/1066505563.db2.gz HLPQSPOODWPJOC-LOSJGSFVSA-N 0 0 450.604 4.693 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)c2ccc(Br)cc2)cc1OC ZINC001456080302 1066505658 /nfs/dbraw/zinc/50/56/58/1066505658.db2.gz OWVZCBHIEBJCJH-UHFFFAOYSA-N 0 0 459.296 4.588 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3OC)c2)o1 ZINC001444805928 1066505935 /nfs/dbraw/zinc/50/59/35/1066505935.db2.gz BGCMZRKMNLWNQI-FQEVSTJZSA-N 0 0 452.511 4.512 20 0 JJADRN Cc1ccc(O[C@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC001444803848 1066505947 /nfs/dbraw/zinc/50/59/47/1066505947.db2.gz CWBWPUFIDXNHKG-LJQANCHMSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC001444803841 1066505969 /nfs/dbraw/zinc/50/59/69/1066505969.db2.gz CWBWPUFIDXNHKG-IBGZPJMESA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[C@H]2CCCCO2)cc1Br ZINC001361183544 1066505968 /nfs/dbraw/zinc/50/59/68/1066505968.db2.gz MHODKAGWAHFGLV-UXHICEINSA-N 0 0 477.447 4.981 20 0 JJADRN Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001456082598 1066506115 /nfs/dbraw/zinc/50/61/15/1066506115.db2.gz BABYSKIHWFYSOK-UHFFFAOYSA-N 0 0 458.580 4.937 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCCC1 ZINC001361183738 1066506123 /nfs/dbraw/zinc/50/61/23/1066506123.db2.gz PITINHIACXKESD-UHFFFAOYSA-N 0 0 457.420 4.848 20 0 JJADRN CCC(CC)(C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC001456086349 1066506592 /nfs/dbraw/zinc/50/65/92/1066506592.db2.gz JKFPGUJXXIXANA-UHFFFAOYSA-N 0 0 458.407 4.650 20 0 JJADRN C[C@H](NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(-n2cccn2)cc1 ZINC001444806964 1066506643 /nfs/dbraw/zinc/50/66/43/1066506643.db2.gz HVJZARHIZRLNCW-INIZCTEOSA-N 0 0 452.580 4.718 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCCOCC(F)F)cc1Br ZINC001361183976 1066506675 /nfs/dbraw/zinc/50/66/75/1066506675.db2.gz UVJUFUBOQKTHFM-UHFFFAOYSA-N 0 0 475.353 4.872 20 0 JJADRN CCc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 ZINC001456088210 1066507172 /nfs/dbraw/zinc/50/71/72/1066507172.db2.gz VBPMPFUOPVBYLE-UHFFFAOYSA-N 0 0 452.599 4.617 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)Nc1ccc(N2CCCCC2)cn1 ZINC001456089104 1066507554 /nfs/dbraw/zinc/50/75/54/1066507554.db2.gz XWKBCZFAGHUMKR-UHFFFAOYSA-N 0 0 453.178 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCn3ccnc3C2)cc1Br ZINC001361184593 1066508202 /nfs/dbraw/zinc/50/82/02/1066508202.db2.gz NWUMKWPCTJMLPY-OAHLLOKOSA-N 0 0 497.363 4.864 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2F)c2ccccc2F)c1 ZINC001456092438 1066508254 /nfs/dbraw/zinc/50/82/54/1066508254.db2.gz VBEGBUXPBMBSRC-UHFFFAOYSA-N 0 0 458.530 4.841 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H](COCc2ccccc2)C1)Cc1ccccc1 ZINC001444810783 1066508312 /nfs/dbraw/zinc/50/83/12/1066508312.db2.gz ZTVBOYZRSFSEBA-ZEQRLZLVSA-N 0 0 452.595 4.578 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCCOC(C)C)cc1Br ZINC001361184957 1066508660 /nfs/dbraw/zinc/50/86/60/1066508660.db2.gz WGZDHRZNEMMYEV-UHFFFAOYSA-N 0 0 465.436 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361185068 1066508682 /nfs/dbraw/zinc/50/86/82/1066508682.db2.gz XWLDUUHEPWLLNO-HNNXBMFYSA-N 0 0 450.461 4.711 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001361184873 1066508773 /nfs/dbraw/zinc/50/87/73/1066508773.db2.gz BGGSXQVMYYJBCF-SQJMNOBHSA-N 0 0 456.583 4.979 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3csc(C4CCCCC4)n3)CCCC2)cc1OC ZINC001361185596 1066509126 /nfs/dbraw/zinc/50/91/26/1066509126.db2.gz HVVBYSPAKNURAF-UHFFFAOYSA-N 0 0 457.596 4.889 20 0 JJADRN COC(=O)CCN(C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)C1CCOCC1 ZINC001444818745 1066509412 /nfs/dbraw/zinc/50/94/12/1066509412.db2.gz ZPORIRPAHPKCRJ-UHFFFAOYSA-N 0 0 458.624 4.750 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cncc(-c4cccc(C)c4)c3)CCCC2)cc1OC ZINC001361186732 1066510079 /nfs/dbraw/zinc/51/00/79/1066510079.db2.gz VAZFUXKVFNBULY-UHFFFAOYSA-N 0 0 459.546 4.756 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C)[C@H](C)c1ccccc1)C2 ZINC001361186768 1066510100 /nfs/dbraw/zinc/51/01/00/1066510100.db2.gz VYTRDECUZRJBLA-FIKGOQFSSA-N 0 0 454.567 4.678 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCCC(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 ZINC001361186729 1066510145 /nfs/dbraw/zinc/51/01/45/1066510145.db2.gz UZEKASQZVGAARJ-UHFFFAOYSA-N 0 0 459.955 4.548 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)CC(C)C ZINC001456106653 1066510408 /nfs/dbraw/zinc/51/04/08/1066510408.db2.gz JRRRVSLPLHFWCR-OAQYLSRUSA-N 0 0 452.477 4.584 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C)[C@@H](C)c1ccccc1)C2 ZINC001361186770 1066510614 /nfs/dbraw/zinc/51/06/14/1066510614.db2.gz VYTRDECUZRJBLA-LZJOCLMNSA-N 0 0 454.567 4.678 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 ZINC001444833688 1066510958 /nfs/dbraw/zinc/51/09/58/1066510958.db2.gz BHHZGKJYPKOCMU-IBGZPJMESA-N 0 0 454.533 4.590 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361186991 1066510924 /nfs/dbraw/zinc/51/09/24/1066510924.db2.gz ARWBZMSSVRWDRZ-UHFFFAOYSA-N 0 0 462.953 4.971 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3cc(-c4ccccc4)no3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361187135 1066510995 /nfs/dbraw/zinc/51/09/95/1066510995.db2.gz GWLDZBMALBQLHE-UHFFFAOYSA-N 0 0 490.608 4.875 20 0 JJADRN CCC[C@H](NC(=O)c1cc(I)ccc1Br)c1ccccn1 ZINC001456107670 1066510978 /nfs/dbraw/zinc/51/09/78/1066510978.db2.gz RNKOLFTVENPPPI-HNNXBMFYSA-N 0 0 459.125 4.720 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)o1 ZINC001444847302 1066511421 /nfs/dbraw/zinc/51/14/21/1066511421.db2.gz GPMJKRVXVOVHQY-YDHLFZDLSA-N 0 0 453.402 4.784 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001546079522 1066511519 /nfs/dbraw/zinc/51/15/19/1066511519.db2.gz OEBVSQBTOQLEHG-BXKMTCNYSA-N 0 0 471.627 4.704 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001444847085 1066511618 /nfs/dbraw/zinc/51/16/18/1066511618.db2.gz LAXLYRWIUYDGCY-SLYNCCJLSA-N 0 0 450.023 4.629 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC001444849804 1066511963 /nfs/dbraw/zinc/51/19/63/1066511963.db2.gz WSNGOYOGZZGDMC-FQEVSTJZSA-N 0 0 454.533 4.909 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001456115809 1066511957 /nfs/dbraw/zinc/51/19/57/1066511957.db2.gz DJFTXGKVCOPNGR-FQEVSTJZSA-N 0 0 450.501 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2Cc2sccc2Br)o1 ZINC001361187517 1066512447 /nfs/dbraw/zinc/51/24/47/1066512447.db2.gz VCDFJSLLUKANQN-UHFFFAOYSA-N 0 0 464.414 4.854 20 0 JJADRN CC[C@](C)(CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)C1OCCO1 ZINC001444851048 1066512467 /nfs/dbraw/zinc/51/24/67/1066512467.db2.gz ICCLXMBSCBAGIB-AREMUKBSSA-N 0 0 451.567 4.521 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC001361187567 1066512571 /nfs/dbraw/zinc/51/25/71/1066512571.db2.gz XJOIUWHNEUETNQ-CTNGQTDRSA-N 0 0 491.474 4.820 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1csc(-c2cc(Br)cs2)n1)CC(C)C ZINC001456117960 1066513031 /nfs/dbraw/zinc/51/30/31/1066513031.db2.gz YDLFLYMNKODQGQ-SFHVURJKSA-N 0 0 459.431 4.979 20 0 JJADRN O=C(Cn1nnnc1-c1ccccc1)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC001361188092 1066513148 /nfs/dbraw/zinc/51/31/48/1066513148.db2.gz DBWDNKDHUDZXHC-UHFFFAOYSA-N 0 0 454.408 4.544 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)c2nccs2)cc1Br ZINC001361187769 1066513165 /nfs/dbraw/zinc/51/31/65/1066513165.db2.gz GDKDOPUFWBKWPU-MRXNPFEDSA-N 0 0 486.443 4.609 20 0 JJADRN Cc1cc(C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)ccc1-n1cnnn1 ZINC001361188337 1066513513 /nfs/dbraw/zinc/51/35/13/1066513513.db2.gz IFYKLKCVGGBZNX-UHFFFAOYSA-N 0 0 454.408 4.788 20 0 JJADRN COC(=O)c1cccc(CC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC001456119171 1066513522 /nfs/dbraw/zinc/51/35/22/1066513522.db2.gz QSWIDTKZFPTJRF-UHFFFAOYSA-N 0 0 456.420 4.926 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cnn1Cc1ccccc1 ZINC001456118336 1066513677 /nfs/dbraw/zinc/51/36/77/1066513677.db2.gz DBCPEIPITMABOB-UHFFFAOYSA-N 0 0 450.436 4.810 20 0 JJADRN Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)cc1OC(F)F ZINC001444856593 1066513767 /nfs/dbraw/zinc/51/37/67/1066513767.db2.gz ACONGEWMAZELCH-UHFFFAOYSA-N 0 0 454.040 4.787 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1ccccc1Cl ZINC001444863165 1066514084 /nfs/dbraw/zinc/51/40/84/1066514084.db2.gz BNOVHGFLXYEDKP-ORAYPTAESA-N 0 0 454.901 4.768 20 0 JJADRN Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001361188537 1066514212 /nfs/dbraw/zinc/51/42/12/1066514212.db2.gz KNGCTFMKIYZXGV-LJQANCHMSA-N 0 0 452.667 4.880 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2c(C(F)F)nc3cnccn32)cc1 ZINC001456121052 1066514225 /nfs/dbraw/zinc/51/42/25/1066514225.db2.gz RPKQYVUPLRAAOY-UHFFFAOYSA-N 0 0 452.461 4.527 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)C1 ZINC001546079733 1066514501 /nfs/dbraw/zinc/51/45/01/1066514501.db2.gz SDWCTSZOIGEYSC-QFIPXVFZSA-N 0 0 462.063 4.896 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)o1 ZINC001361188944 1066514513 /nfs/dbraw/zinc/51/45/13/1066514513.db2.gz QRYMRWKZHNFJNU-NTMALXAHSA-N 0 0 455.498 4.733 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NCCc1cc(F)ccc1F ZINC001361189443 1066514522 /nfs/dbraw/zinc/51/45/22/1066514522.db2.gz DXZQLDPTDGDXIB-CQSZACIVSA-N 0 0 457.302 4.887 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)C1 ZINC001546079732 1066514569 /nfs/dbraw/zinc/51/45/69/1066514569.db2.gz SDWCTSZOIGEYSC-JOCHJYFZSA-N 0 0 462.063 4.896 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2ccccn2)C1 ZINC001546079710 1066514650 /nfs/dbraw/zinc/51/46/50/1066514650.db2.gz RZUUUKJNKDSQMI-BVFVYWQFSA-N 0 0 483.661 4.572 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1F ZINC001456124419 1066515315 /nfs/dbraw/zinc/51/53/15/1066515315.db2.gz ADNBKKSOBHEIID-PKOBYXMFSA-N 0 0 469.557 4.810 20 0 JJADRN CCc1ccc(CC)c(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001444870783 1066515232 /nfs/dbraw/zinc/51/52/32/1066515232.db2.gz XMDQAUMCFNNJPB-AREMUKBSSA-N 0 0 458.558 4.650 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)cs2)cc1 ZINC001444875329 1066515352 /nfs/dbraw/zinc/51/53/52/1066515352.db2.gz ZBDQQPKGQNXCTH-OAQYLSRUSA-N 0 0 450.482 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c2ccccc21 ZINC001456125863 1066515641 /nfs/dbraw/zinc/51/56/41/1066515641.db2.gz QQLIJQSAIRVJDU-BKCZMFJTSA-N 0 0 450.579 4.514 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3CN(C)C(=O)OC(C)(C)C)n2)cc1 ZINC001444878503 1066515845 /nfs/dbraw/zinc/51/58/45/1066515845.db2.gz HVZKJXPATOIMKK-HXUWFJFHSA-N 0 0 456.587 4.651 20 0 JJADRN Cc1c(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001456127303 1066516263 /nfs/dbraw/zinc/51/62/63/1066516263.db2.gz FRUGDSFTBYYYTC-DEOSSOPVSA-N 0 0 458.990 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361190718 1066516294 /nfs/dbraw/zinc/51/62/94/1066516294.db2.gz QHNIRCOFBZNMPL-HXUWFJFHSA-N 0 0 499.587 4.900 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2Cc2ccnc(C(F)(F)F)c2)o1 ZINC001361190677 1066516300 /nfs/dbraw/zinc/51/63/00/1066516300.db2.gz PARVBKFYNIECLQ-UHFFFAOYSA-N 0 0 475.446 4.963 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3cccc(Cl)c3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361190881 1066516599 /nfs/dbraw/zinc/51/65/99/1066516599.db2.gz VMGIVRQMWOLAAH-UHFFFAOYSA-N 0 0 475.977 4.540 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCCOC(F)F)cc1Br ZINC001361191049 1066516612 /nfs/dbraw/zinc/51/66/12/1066516612.db2.gz DTMIYVVRJNPNTH-UHFFFAOYSA-N 0 0 459.335 4.956 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2Cc2cnn(CC(C)C)c2C)o1 ZINC001361190902 1066516803 /nfs/dbraw/zinc/51/68/03/1066516803.db2.gz VXOABJBEIYJULH-UHFFFAOYSA-N 0 0 466.561 4.710 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2(Cl)Cl)cc1 ZINC001456129815 1066516773 /nfs/dbraw/zinc/51/67/73/1066516773.db2.gz TWZWMHMGVRDRRH-JIGPKXGUSA-N 0 0 471.425 4.710 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001456128358 1066516868 /nfs/dbraw/zinc/51/68/68/1066516868.db2.gz OMTSFXRPWZKRHQ-WCQYABFASA-N 0 0 465.310 4.891 20 0 JJADRN CCc1[nH]c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1C(=O)OC ZINC001444898118 1066516910 /nfs/dbraw/zinc/51/69/10/1066516910.db2.gz ZOZFQOTURITLCK-UHFFFAOYSA-N 0 0 451.470 4.744 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC001361191090 1066517234 /nfs/dbraw/zinc/51/72/34/1066517234.db2.gz GDABOJNZNJULJV-FUHWJXTLSA-N 0 0 463.420 4.878 20 0 JJADRN Cc1c(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1cc(C)ccc1C ZINC001456133718 1066517808 /nfs/dbraw/zinc/51/78/08/1066517808.db2.gz RLVHXEVUWWBCQZ-AREMUKBSSA-N 0 0 452.599 4.803 20 0 JJADRN COc1ccc([C@H](NC(=O)c2[nH]nc3c2cccc3OC)c2ccccc2Cl)c(OC)c1 ZINC001444911283 1066517893 /nfs/dbraw/zinc/51/78/93/1066517893.db2.gz ZHSAQSNKFBASMV-OAQYLSRUSA-N 0 0 451.910 4.762 20 0 JJADRN Cc1ccccc1NCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001444918643 1066518096 /nfs/dbraw/zinc/51/80/96/1066518096.db2.gz NBYYLSYXLIOOFS-DEOSSOPVSA-N 0 0 456.995 4.760 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccccc3)CC3CCOCC3)n2CCN(C)CC(F)(F)F)o1 ZINC001361191418 1066518203 /nfs/dbraw/zinc/51/82/03/1066518203.db2.gz SGXWOBRFVUURNK-UHFFFAOYSA-N 0 0 491.558 4.774 20 0 JJADRN CC(C)c1ccc(OCC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1 ZINC001456136159 1066518715 /nfs/dbraw/zinc/51/87/15/1066518715.db2.gz HCKUBUXZFJPTNY-JAQLMMITSA-N 0 0 452.595 4.930 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2cccn2Cc2ccccc2)C1 ZINC001456136295 1066518793 /nfs/dbraw/zinc/51/87/93/1066518793.db2.gz HUGZNQDQHLZHSP-LMBZAKDXSA-N 0 0 459.590 4.891 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456135993 1066518812 /nfs/dbraw/zinc/51/88/12/1066518812.db2.gz GLKXPHNAKKCUQG-JEYPMZLKSA-N 0 0 452.595 4.894 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)Sc3ccnc4cc(Cl)ccc43)C2)ncn1 ZINC001456139547 1066519096 /nfs/dbraw/zinc/51/90/96/1066519096.db2.gz RAOSJCHGXJGILI-CRAIPNDOSA-N 0 0 456.015 4.506 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)ncn1 ZINC001456138569 1066519151 /nfs/dbraw/zinc/51/91/51/1066519151.db2.gz PDEACLZKFHWXLE-QPPBQGQZSA-N 0 0 450.970 4.598 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)[C@@H]1CNC(=O)OC(C)(C)C ZINC001361192456 1066519404 /nfs/dbraw/zinc/51/94/04/1066519404.db2.gz IFQOJBWJFOJVKU-FOIQADDNSA-N 0 0 459.974 4.873 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001361192280 1066519436 /nfs/dbraw/zinc/51/94/36/1066519436.db2.gz IUXOKSHIOVBJRA-GOEBONIOSA-N 0 0 456.940 4.725 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001361191768 1066519464 /nfs/dbraw/zinc/51/94/64/1066519464.db2.gz CUWBLTGSGNQXQX-QGZVFWFLSA-N 0 0 458.990 4.530 20 0 JJADRN CCc1ccc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1S(C)(=O)=O ZINC001456139129 1066519676 /nfs/dbraw/zinc/51/96/76/1066519676.db2.gz DWXGXGREMUVRAP-SFHVURJKSA-N 0 0 458.580 4.723 20 0 JJADRN CC(C)c1ccccc1OCC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456139967 1066519708 /nfs/dbraw/zinc/51/97/08/1066519708.db2.gz VHHJDULDDVKDCQ-ZSQTZEJBSA-N 0 0 452.595 4.930 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1ccc2cccnc2n1 ZINC001456139609 1066519779 /nfs/dbraw/zinc/51/97/79/1066519779.db2.gz RKRZNCZVUQSALD-UHFFFAOYSA-N 0 0 450.848 4.791 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)c1 ZINC001361193384 1066519950 /nfs/dbraw/zinc/51/99/50/1066519950.db2.gz URYVOMVLXVDDLD-CQSZACIVSA-N 0 0 453.892 4.836 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3CNC(=O)OC(C)(C)C)nc2)c1 ZINC001361193662 1066519961 /nfs/dbraw/zinc/51/99/61/1066519961.db2.gz VVUAXXJOMHDUAK-VGSWGCGISA-N 0 0 455.555 4.648 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC001361193449 1066520006 /nfs/dbraw/zinc/52/00/06/1066520006.db2.gz VJAODSKBQTZNTP-AWEZNQCLSA-N 0 0 459.871 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 ZINC001456141183 1066520155 /nfs/dbraw/zinc/52/01/55/1066520155.db2.gz JMROWGDTVFZDDV-SFHVURJKSA-N 0 0 457.527 4.677 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001361193574 1066520209 /nfs/dbraw/zinc/52/02/09/1066520209.db2.gz WUYJVBMHMRUMMG-FQEVSTJZSA-N 0 0 458.393 4.792 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)nn2C)C1 ZINC001546079952 1066520282 /nfs/dbraw/zinc/52/02/82/1066520282.db2.gz XLMJNXAJKMIASD-AREMUKBSSA-N 0 0 450.631 4.871 20 0 JJADRN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444943661 1066520354 /nfs/dbraw/zinc/52/03/54/1066520354.db2.gz KGFDHMOMZRFBJM-MSOLQXFVSA-N 0 0 454.514 4.862 20 0 JJADRN Cc1ccc(-c2nnc(N3C4CCC3(C)CC4)n2CCNC(=O)C(C)(C)C)cc1Br ZINC001361194297 1066520520 /nfs/dbraw/zinc/52/05/20/1066520520.db2.gz JLSRRUNULVQHOF-UHFFFAOYSA-N 0 0 474.447 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccccc3)n2Cc2cc(Br)cs2)o1 ZINC001361194099 1066520757 /nfs/dbraw/zinc/52/07/57/1066520757.db2.gz DRIFFRHGOXKYAY-UHFFFAOYSA-N 0 0 473.396 4.718 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001546079971 1066520690 /nfs/dbraw/zinc/52/06/90/1066520690.db2.gz XULRPKJODCMSOJ-JIPXPUAJSA-N 0 0 469.674 4.502 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001444947731 1066520900 /nfs/dbraw/zinc/52/09/00/1066520900.db2.gz DOWOEGGAJQMRQR-MOPGFXCFSA-N 0 0 454.567 4.898 20 0 JJADRN C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444945268 1066520955 /nfs/dbraw/zinc/52/09/55/1066520955.db2.gz NYLJJTZFMJWIMF-IBGZPJMESA-N 0 0 459.571 4.531 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCCC2)cc1C ZINC001444946297 1066521050 /nfs/dbraw/zinc/52/10/50/1066521050.db2.gz AVLNORXPGIPNQP-FQEVSTJZSA-N 0 0 457.615 4.566 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001444951073 1066521563 /nfs/dbraw/zinc/52/15/63/1066521563.db2.gz RIKGVTIUIHLYBM-UWJYYQICSA-N 0 0 459.384 4.882 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)cc1 ZINC001444950772 1066521608 /nfs/dbraw/zinc/52/16/08/1066521608.db2.gz BERWPKMHJVTJAM-OAQYLSRUSA-N 0 0 452.551 4.751 20 0 JJADRN C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CCN1C(=O)OC(C)(C)C ZINC001456146973 1066521467 /nfs/dbraw/zinc/52/14/67/1066521467.db2.gz GBMQLHIXPGOCLG-IHLLOCCUSA-N 0 0 450.579 4.863 20 0 JJADRN Cc1c(C(=O)NCCc2ccc(OCC(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001456146210 1066521585 /nfs/dbraw/zinc/52/15/85/1066521585.db2.gz PGUHJRXROJTMQF-UHFFFAOYSA-N 0 0 453.608 4.500 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361194905 1066521431 /nfs/dbraw/zinc/52/14/31/1066521431.db2.gz ZOTDXHMXBHCABX-INIZCTEOSA-N 0 0 487.446 4.684 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2oc3ccccc3c2CO)C1 ZINC001456146135 1066521643 /nfs/dbraw/zinc/52/16/43/1066521643.db2.gz OWOLJYFZDQWREU-QGZVFWFLSA-N 0 0 450.535 4.659 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)noc1C)Oc1ccccc1F ZINC001545970549 1066521976 /nfs/dbraw/zinc/52/19/76/1066521976.db2.gz GROSGSZFKQNYPR-SFHVURJKSA-N 0 0 450.518 4.578 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCC(=O)N(C)C)cc1Br ZINC001361195545 1066521984 /nfs/dbraw/zinc/52/19/84/1066521984.db2.gz CPSDDQSUIISZIO-WBVHZDCISA-N 0 0 462.436 4.509 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1ccccc1Br ZINC001444954208 1066521986 /nfs/dbraw/zinc/52/19/86/1066521986.db2.gz KGSBREVLDJKZNL-YDHSSHFGSA-N 0 0 459.384 4.861 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc2C)cc1S(C)(=O)=O ZINC001361195378 1066522022 /nfs/dbraw/zinc/52/20/22/1066522022.db2.gz OYAARRCMYRHKQY-UHFFFAOYSA-N 0 0 459.951 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361195282 1066522061 /nfs/dbraw/zinc/52/20/61/1066522061.db2.gz AKLYBONGZUOMFG-YVEFUNNKSA-N 0 0 490.404 4.791 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC[C@@H]2COCCO2)cc1Br ZINC001361195536 1066522089 /nfs/dbraw/zinc/52/20/89/1066522089.db2.gz CNQRHBMILFBTTH-QFBILLFUSA-N 0 0 477.447 4.694 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444956459 1066522408 /nfs/dbraw/zinc/52/24/08/1066522408.db2.gz PPKVPGARHAKCQG-RGVPCPSESA-N 0 0 455.640 4.610 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444956453 1066522551 /nfs/dbraw/zinc/52/25/51/1066522551.db2.gz PPKVPGARHAKCQG-LWSMDNFKSA-N 0 0 455.640 4.610 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001456149194 1066522510 /nfs/dbraw/zinc/52/25/10/1066522510.db2.gz SSRVXVBRCCFRCV-QGZVFWFLSA-N 0 0 450.580 4.782 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC001456149093 1066522550 /nfs/dbraw/zinc/52/25/50/1066522550.db2.gz KGWGCCRKSZKYLL-HXUWFJFHSA-N 0 0 455.824 4.675 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC001456149515 1066522607 /nfs/dbraw/zinc/52/26/07/1066522607.db2.gz MEURYWJQRUUGAU-FQEVSTJZSA-N 0 0 451.702 4.772 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H](c3ccccc3)c3cccc(S(C)(=O)=O)c3)[nH]n2)cc1C ZINC001444955009 1066522633 /nfs/dbraw/zinc/52/26/33/1066522633.db2.gz KZKWRTHLZAAMPE-RUZDIDTESA-N 0 0 459.571 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1ccc(Br)cc1 ZINC001444958933 1066522823 /nfs/dbraw/zinc/52/28/23/1066522823.db2.gz XRMGKOACNFFQKW-SFYKDHMMSA-N 0 0 459.384 4.861 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1ccc(Br)cc1 ZINC001444958929 1066522942 /nfs/dbraw/zinc/52/29/42/1066522942.db2.gz XRMGKOACNFFQKW-SELNLUPBSA-N 0 0 459.384 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@@H]4CCCC[C@@H]43)n2CCNC(=O)C(C)C)cc1Br ZINC001361195837 1066522904 /nfs/dbraw/zinc/52/29/04/1066522904.db2.gz FXFUAYHPBQEHKM-CUWPLCDZSA-N 0 0 488.474 4.803 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC001444960626 1066523028 /nfs/dbraw/zinc/52/30/28/1066523028.db2.gz XTFFDKKCMVWGNF-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361196222 1066523355 /nfs/dbraw/zinc/52/33/55/1066523355.db2.gz MAIKCVXZJQUNDM-DZKIICNBSA-N 0 0 487.414 4.770 20 0 JJADRN Cc1cc(-c2csc(NC(=O)C=Cc3cc4cnn(C(C)C)c4[nH]c3=O)n2)c(F)cc1F ZINC001444963834 1066523460 /nfs/dbraw/zinc/52/34/60/1066523460.db2.gz XJRMWYFYVWYLNW-PLNGDYQASA-N 0 0 455.490 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361196224 1066523627 /nfs/dbraw/zinc/52/36/27/1066523627.db2.gz MAIKCVXZJQUNDM-LZWOXQAQSA-N 0 0 487.414 4.770 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC001444966134 1066524082 /nfs/dbraw/zinc/52/40/82/1066524082.db2.gz FLHRGAQVFKSVBB-OPAMFIHVSA-N 0 0 458.580 4.589 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CCc1nccs1)NC(=O)OC(C)(C)C ZINC001545971077 1066524349 /nfs/dbraw/zinc/52/43/49/1066524349.db2.gz RCWMQWDYGZTKNY-MRXNPFEDSA-N 0 0 474.606 4.523 20 0 JJADRN COC(=O)c1ccn(CC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)n1 ZINC001456155755 1066524495 /nfs/dbraw/zinc/52/44/95/1066524495.db2.gz RBABIUJSFUYDBR-DURWQBQJSA-N 0 0 451.611 4.620 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H]2CCCS2)cc1Br ZINC001361196690 1066524586 /nfs/dbraw/zinc/52/45/86/1066524586.db2.gz SQSLZOHPDCVVHB-RDJZCZTQSA-N 0 0 465.461 4.915 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c1 ZINC001444974347 1066524899 /nfs/dbraw/zinc/52/48/99/1066524899.db2.gz OZNMKQZESCKFBL-VSDWSMLSSA-N 0 0 456.558 4.880 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001444974387 1066525041 /nfs/dbraw/zinc/52/50/41/1066525041.db2.gz JMIPISUXELBAFB-HSALFYBXSA-N 0 0 450.421 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361197303 1066525302 /nfs/dbraw/zinc/52/53/02/1066525302.db2.gz ZDYOUISXUCGBNQ-UTKZUKDTSA-N 0 0 483.588 4.886 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)cc1Br ZINC001361197227 1066525435 /nfs/dbraw/zinc/52/54/35/1066525435.db2.gz YLQWPTAPUPFINY-HZPDHXFCSA-N 0 0 484.442 4.554 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2Cc2cccc(C(F)F)c2)o1 ZINC001361197908 1066525846 /nfs/dbraw/zinc/52/58/46/1066525846.db2.gz BIDLXNLJHVVRQU-UHFFFAOYSA-N 0 0 471.552 4.916 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccc(F)cc3F)C3CC3)cc2)cc1 ZINC001444980568 1066526084 /nfs/dbraw/zinc/52/60/84/1066526084.db2.gz XAMLBZVKUWQKFS-HSZRJFAPSA-N 0 0 456.514 4.955 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001545971202 1066526107 /nfs/dbraw/zinc/52/61/07/1066526107.db2.gz TUJMFIQQDJQZGW-IBGZPJMESA-N 0 0 487.620 4.927 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)[C@H](C)c1ccc(I)cc1)C(=O)OCC ZINC001456161580 1066526220 /nfs/dbraw/zinc/52/62/20/1066526220.db2.gz HDBXDPQSGDSEDV-FOIQADDNSA-N 0 0 459.368 4.803 20 0 JJADRN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444986510 1066526379 /nfs/dbraw/zinc/52/63/79/1066526379.db2.gz LJPTUPSCPWUXCU-QAAIKFCJSA-N 0 0 450.579 4.576 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545971281 1066527014 /nfs/dbraw/zinc/52/70/14/1066527014.db2.gz UXMPPCWRSVJAMD-IRLDBZIGSA-N 0 0 494.615 4.852 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](COc2ccccc2)c2ccccc2)c1 ZINC001456167073 1066527100 /nfs/dbraw/zinc/52/71/00/1066527100.db2.gz XFUCWPXYNZSUKZ-OAQYLSRUSA-N 0 0 454.320 4.786 20 0 JJADRN O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc(Br)cc2c1OCCO2 ZINC001456166311 1066527123 /nfs/dbraw/zinc/52/71/23/1066527123.db2.gz VKUJCEFWTRLWAO-HXUWFJFHSA-N 0 0 454.320 4.770 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)ccc2NC1=O ZINC001444992424 1066527533 /nfs/dbraw/zinc/52/75/33/1066527533.db2.gz VXNICTHJQISDIZ-ZANVPECISA-N 0 0 459.515 4.593 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)n2)cc1 ZINC001456169249 1066527563 /nfs/dbraw/zinc/52/75/63/1066527563.db2.gz JNVKXUSVTXVJFZ-QHCPKHFHSA-N 0 0 454.958 4.526 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCCc3cccc4ccccc43)CC2=O)ccc1Br ZINC001456171198 1066527856 /nfs/dbraw/zinc/52/78/56/1066527856.db2.gz JIIWTZOPRSINOZ-IBGZPJMESA-N 0 0 451.364 4.623 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)C1 ZINC001444995614 1066527970 /nfs/dbraw/zinc/52/79/70/1066527970.db2.gz CQMVOKCRZBVIKY-RUZDIDTESA-N 0 0 453.539 4.554 20 0 JJADRN C[C@@]1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CCOc2ccccc21 ZINC001456173828 1066528448 /nfs/dbraw/zinc/52/84/48/1066528448.db2.gz UQQJAGVHFIXTMA-HSZRJFAPSA-N 0 0 456.951 4.569 20 0 JJADRN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC001456173070 1066528575 /nfs/dbraw/zinc/52/85/75/1066528575.db2.gz UBIYTNPHDABDLS-DEOSSOPVSA-N 0 0 451.636 4.504 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCc2ccccc2F)o1 ZINC001361199757 1066528506 /nfs/dbraw/zinc/52/85/06/1066528506.db2.gz IADTXPIYPVWENB-QFIPXVFZSA-N 0 0 466.479 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2Cc2cccc(CO)c2)o1 ZINC001361199760 1066528515 /nfs/dbraw/zinc/52/85/15/1066528515.db2.gz IBNOTKXBLSLIFH-LJQANCHMSA-N 0 0 495.624 4.517 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2CCN(C)CC(F)(F)F)cc1Br ZINC001361199598 1066528650 /nfs/dbraw/zinc/52/86/50/1066528650.db2.gz GXAPRPSNUJCXAA-KRWDZBQOSA-N 0 0 488.396 4.992 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1C(=O)N1CC(Cc2c(F)cccc2F)C1 ZINC001445002921 1066528929 /nfs/dbraw/zinc/52/89/29/1066528929.db2.gz WVWRUOODHVWTDN-FQEVSTJZSA-N 0 0 453.316 4.577 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)o1 ZINC001361199906 1066528890 /nfs/dbraw/zinc/52/88/90/1066528890.db2.gz KJPVZNDLENHEJT-RDJZCZTQSA-N 0 0 465.545 4.631 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361199792 1066529016 /nfs/dbraw/zinc/52/90/16/1066529016.db2.gz IQYKOXMJCKBKHW-VQTJNVASSA-N 0 0 457.619 4.976 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC001456175877 1066529107 /nfs/dbraw/zinc/52/91/07/1066529107.db2.gz AKELHDGMJDVISQ-BLLLJJGKSA-N 0 0 452.045 4.897 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cccc(CC(F)(F)F)c3)cn2)C1 ZINC001445011057 1066529522 /nfs/dbraw/zinc/52/95/22/1066529522.db2.gz RNXJFMFTFUQSAI-SFHVURJKSA-N 0 0 452.477 4.812 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC001445009182 1066529550 /nfs/dbraw/zinc/52/95/50/1066529550.db2.gz LSJSXENHEMWWAR-QFIPXVFZSA-N 0 0 451.405 4.741 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001456177652 1066529861 /nfs/dbraw/zinc/52/98/61/1066529861.db2.gz JHJCDRKZUCNBMF-SSEXGKCCSA-N 0 0 458.889 4.846 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC2(C)CCOCC2)o1 ZINC001361200216 1066529972 /nfs/dbraw/zinc/52/99/72/1066529972.db2.gz PWGIHFSLQKTYPK-UHFFFAOYSA-N 0 0 466.426 4.984 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)o1 ZINC001361200315 1066530051 /nfs/dbraw/zinc/53/00/51/1066530051.db2.gz SCCAWGKDHKXBLE-FPOVZHCZSA-N 0 0 487.645 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)o1 ZINC001361200314 1066530099 /nfs/dbraw/zinc/53/00/99/1066530099.db2.gz SCCAWGKDHKXBLE-CTNGQTDRSA-N 0 0 487.645 4.935 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001456177876 1066530105 /nfs/dbraw/zinc/53/01/05/1066530105.db2.gz HCZKILUROCXBQL-KDURUIRLSA-N 0 0 454.567 4.540 20 0 JJADRN CC(C)(C)c1nc2ccc(NC(=O)[C@@](C)(O)CN3c4ccccc4C(C)(C)C3=O)cc2s1 ZINC001445011386 1066530058 /nfs/dbraw/zinc/53/00/58/1066530058.db2.gz YYLBGCUWCUMCQF-VWLOTQADSA-N 0 0 451.592 4.608 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)o1 ZINC001361200395 1066530494 /nfs/dbraw/zinc/53/04/94/1066530494.db2.gz VLTMJBSQHFNYSC-AWEZNQCLSA-N 0 0 457.497 4.538 20 0 JJADRN Cc1c(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179379 1066530606 /nfs/dbraw/zinc/53/06/06/1066530606.db2.gz NLSKVXLGBFXKCG-BWACUDIHSA-N 0 0 451.327 4.849 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCn1cc(Br)cn1 ZINC001456180368 1066530919 /nfs/dbraw/zinc/53/09/19/1066530919.db2.gz ZZJWJYSDXZWYGF-NSHDSACASA-N 0 0 453.793 4.998 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001456179635 1066530966 /nfs/dbraw/zinc/53/09/66/1066530966.db2.gz UYCJHXZLPQKSQO-IBGZPJMESA-N 0 0 450.576 4.946 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 ZINC001456181124 1066531502 /nfs/dbraw/zinc/53/15/02/1066531502.db2.gz VRZYBLUKCMFXEY-OALUTQOASA-N 0 0 454.567 4.903 20 0 JJADRN C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1O)Oc1cccc(Br)c1 ZINC001445036841 1066531484 /nfs/dbraw/zinc/53/14/84/1066531484.db2.gz UMVOMXNXDOCKOP-MRXNPFEDSA-N 0 0 456.336 4.931 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC001361202244 1066532384 /nfs/dbraw/zinc/53/23/84/1066532384.db2.gz GJJHTKHOQIKVEH-CVDCTZTESA-N 0 0 458.624 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361202728 1066532834 /nfs/dbraw/zinc/53/28/34/1066532834.db2.gz STEUFICVAYCZJQ-UHFFFAOYSA-N 0 0 494.640 4.844 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CC(=O)NCc2ccco2)cc1Br ZINC001361202904 1066532875 /nfs/dbraw/zinc/53/28/75/1066532875.db2.gz UTBACYUCTXLRSS-UHFFFAOYSA-N 0 0 486.414 4.552 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361202964 1066532982 /nfs/dbraw/zinc/53/29/82/1066532982.db2.gz VYXURIXNVPNWAO-JKSUJKDBSA-N 0 0 463.504 4.908 20 0 JJADRN O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCc2ccc(Br)cc21 ZINC001456188197 1066532929 /nfs/dbraw/zinc/53/29/29/1066532929.db2.gz VITMQSWWCYFQJE-UHFFFAOYSA-N 0 0 456.361 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361203317 1066533367 /nfs/dbraw/zinc/53/33/67/1066533367.db2.gz ZKFJXROPFQYCPY-GOSISDBHSA-N 0 0 488.474 4.805 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2c(C)c(Br)ccc2C(=O)OC)c1C ZINC001361203184 1066533382 /nfs/dbraw/zinc/53/33/82/1066533382.db2.gz PDWVQKDXOIEKJX-UHFFFAOYSA-N 0 0 450.329 4.520 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001456189046 1066533460 /nfs/dbraw/zinc/53/34/60/1066533460.db2.gz UZFLXVRDGLUJJK-KGVIQGDOSA-N 0 0 452.998 4.975 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COCc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456191273 1066533465 /nfs/dbraw/zinc/53/34/65/1066533465.db2.gz GQTLEOCYPYTTKI-CUNXSJBXSA-N 0 0 450.623 4.524 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COCc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456191261 1066533474 /nfs/dbraw/zinc/53/34/74/1066533474.db2.gz GQTLEOCYPYTTKI-AJTFRIOCSA-N 0 0 450.623 4.524 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001445048346 1066533529 /nfs/dbraw/zinc/53/35/29/1066533529.db2.gz MVGHQGYNDSCNJG-VCSGRIEYSA-N 0 0 458.599 4.826 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NC1(c2ccccc2)CCOCC1 ZINC001456192901 1066533889 /nfs/dbraw/zinc/53/38/89/1066533889.db2.gz GGOBCWWKCFCXJS-UHFFFAOYSA-N 0 0 455.352 4.859 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)n2)c1 ZINC001445050922 1066533843 /nfs/dbraw/zinc/53/38/43/1066533843.db2.gz PPRWAAFGYXGJQP-JTQLQIEISA-N 0 0 458.487 4.542 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccnc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456191495 1066533967 /nfs/dbraw/zinc/53/39/67/1066533967.db2.gz HLLJLALYGPLIRD-NPZBNXROSA-N 0 0 454.014 4.760 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Oc2ccc(Br)c(F)c2)cc1 ZINC001456195103 1066534173 /nfs/dbraw/zinc/53/41/73/1066534173.db2.gz KXIXRVYKKWSUHY-UHFFFAOYSA-N 0 0 453.267 4.815 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cc1ccc2cccnc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456194649 1066534223 /nfs/dbraw/zinc/53/42/23/1066534223.db2.gz NQVYLSYDIAOQAC-KMRXNPHXSA-N 0 0 457.618 4.790 20 0 JJADRN O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1c(Cl)cc(Br)cc1Cl ZINC001456196068 1066534303 /nfs/dbraw/zinc/53/43/03/1066534303.db2.gz KJLSWTOLACZAAH-UHFFFAOYSA-N 0 0 456.167 4.890 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)Cc1ccc2cccnc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456194658 1066534398 /nfs/dbraw/zinc/53/43/98/1066534398.db2.gz NQVYLSYDIAOQAC-PIKZIKFNSA-N 0 0 457.618 4.790 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H]4CCCO4)CC3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361204294 1066534590 /nfs/dbraw/zinc/53/45/90/1066534590.db2.gz RTDQYYFLATUXQY-HXUWFJFHSA-N 0 0 473.618 4.547 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC2CC(C)(C)C2)o1 ZINC001361204251 1066534600 /nfs/dbraw/zinc/53/46/00/1066534600.db2.gz QMUPPEKNPAKNDB-SFHVURJKSA-N 0 0 457.619 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@@H](C)O)cc2)o1 ZINC001361204125 1066534735 /nfs/dbraw/zinc/53/47/35/1066534735.db2.gz MZESPVYYORDDJA-TZIWHRDSSA-N 0 0 495.624 4.641 20 0 JJADRN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001445057733 1066535234 /nfs/dbraw/zinc/53/52/34/1066535234.db2.gz NPCVGXGCAKOIKG-CQSZACIVSA-N 0 0 455.754 4.570 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CC[C@@H](C)C2)cc1Br ZINC001361204527 1066535507 /nfs/dbraw/zinc/53/55/07/1066535507.db2.gz ZEFFHRZBUIRLMI-APWZRJJASA-N 0 0 488.474 4.934 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001456199968 1066536307 /nfs/dbraw/zinc/53/63/07/1066536307.db2.gz VINJCKZMPJNATN-PKOBYXMFSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1nc2sccn2c1CN(C)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445077857 1066536379 /nfs/dbraw/zinc/53/63/79/1066536379.db2.gz XGXAFBAFIMGREB-LJQANCHMSA-N 0 0 456.612 4.955 20 0 JJADRN Cc1nc(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)ccc1I ZINC001361205488 1066536860 /nfs/dbraw/zinc/53/68/60/1066536860.db2.gz ZDBNVUKKDVCRQD-UHFFFAOYSA-N 0 0 456.152 4.901 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC001456201878 1066536790 /nfs/dbraw/zinc/53/67/90/1066536790.db2.gz KTQGDTURZABFEE-QHCPKHFHSA-N 0 0 455.526 4.792 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CCCn2ccnc2C)o1 ZINC001361205531 1066537000 /nfs/dbraw/zinc/53/70/00/1066537000.db2.gz LAAZYMWKDUQPKS-UHFFFAOYSA-N 0 0 497.644 4.525 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456204487 1066537181 /nfs/dbraw/zinc/53/71/81/1066537181.db2.gz SPRFEPHOWYAKJQ-GOSISDBHSA-N 0 0 454.336 4.829 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001456203586 1066537279 /nfs/dbraw/zinc/53/72/79/1066537279.db2.gz RRFYSYHQUUGZDS-LJQANCHMSA-N 0 0 450.436 4.649 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001456203585 1066537320 /nfs/dbraw/zinc/53/73/20/1066537320.db2.gz RRFYSYHQUUGZDS-IBGZPJMESA-N 0 0 450.436 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2ccc(F)cc2)o1 ZINC001361205711 1066537395 /nfs/dbraw/zinc/53/73/95/1066537395.db2.gz QIQXUXPSXCTSFE-OALUTQOASA-N 0 0 499.587 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2ccc(F)cc2)o1 ZINC001361205712 1066537445 /nfs/dbraw/zinc/53/74/45/1066537445.db2.gz QIQXUXPSXCTSFE-RBUKOAKNSA-N 0 0 499.587 4.804 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001445082825 1066537433 /nfs/dbraw/zinc/53/74/33/1066537433.db2.gz QNNJMQLNYCXCEB-UHFFFAOYSA-N 0 0 453.461 4.926 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CC2(C)CCOCC2)cc1Br ZINC001361205670 1066537533 /nfs/dbraw/zinc/53/75/33/1066537533.db2.gz OZTXEUPMOQNWNH-UHFFFAOYSA-N 0 0 455.347 4.678 20 0 JJADRN O=C(Nc1cc(Br)ccc1-n1cccn1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001456207046 1066537743 /nfs/dbraw/zinc/53/77/43/1066537743.db2.gz DHYFPMPNKSVXDL-RDTXWAMCSA-N 0 0 466.257 4.756 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001456209042 1066538143 /nfs/dbraw/zinc/53/81/43/1066538143.db2.gz FYIYOSIHNYTDCI-ZBEGNZNMSA-N 0 0 458.436 4.793 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)C[C@H]3CCN3C(=O)OC(C)(C)C)c12 ZINC001456208144 1066538165 /nfs/dbraw/zinc/53/81/65/1066538165.db2.gz GGSXAPAOSLTETF-QGZVFWFLSA-N 0 0 457.619 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361205994 1066538371 /nfs/dbraw/zinc/53/83/71/1066538371.db2.gz ZYOVBAUEIVBKHV-KXBFYZLASA-N 0 0 484.601 4.606 20 0 JJADRN CCc1c(C(=O)Nc2ccc(OC)c(Br)c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001456211777 1066538609 /nfs/dbraw/zinc/53/86/09/1066538609.db2.gz IXZYQHXJMTVDAS-UHFFFAOYSA-N 0 0 459.344 4.640 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCCCCC2CCCC2)c1 ZINC001361206681 1066538708 /nfs/dbraw/zinc/53/87/08/1066538708.db2.gz VHLGVQYMDATMCU-UHFFFAOYSA-N 0 0 459.450 4.570 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC001445096813 1066539044 /nfs/dbraw/zinc/53/90/44/1066539044.db2.gz SNJAHOJLFIHYTF-LJQANCHMSA-N 0 0 454.586 4.962 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2cccnc2)C(C)C)o1 ZINC001361207014 1066539261 /nfs/dbraw/zinc/53/92/61/1066539261.db2.gz FVVYHPAGKHYQHC-RTWAWAEBSA-N 0 0 480.613 4.785 20 0 JJADRN C[C@H](NC(=O)[C@H](C)c1ccc(Br)s1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445100755 1066539677 /nfs/dbraw/zinc/53/96/77/1066539677.db2.gz YUIJKNPQEBBEDI-OLZOCXBDSA-N 0 0 455.393 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Nc4ccccc4Cl)CC3)n2CCOCC(F)F)o1 ZINC001361207228 1066539983 /nfs/dbraw/zinc/53/99/83/1066539983.db2.gz NJOPYMKYPHRIDG-UHFFFAOYSA-N 0 0 465.932 4.863 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)C2)c1 ZINC001456224129 1066540413 /nfs/dbraw/zinc/54/04/13/1066540413.db2.gz JOZFTTLHFXNJRC-XMMPIXPASA-N 0 0 454.592 4.683 20 0 JJADRN O=C([C@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CC[C@H](c2cnccn2)C1 ZINC001456222216 1066540530 /nfs/dbraw/zinc/54/05/30/1066540530.db2.gz WVWURWANNLICLY-HRAATJIYSA-N 0 0 456.315 4.514 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)Cc2cccs2)o1 ZINC001361207798 1066540943 /nfs/dbraw/zinc/54/09/43/1066540943.db2.gz YYMXVMLKXRZNLL-KRWDZBQOSA-N 0 0 455.628 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)c4ccoc4C)CC3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361207804 1066540990 /nfs/dbraw/zinc/54/09/90/1066540990.db2.gz ZDXLOQLSZHXAMO-UHFFFAOYSA-N 0 0 479.503 4.735 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC001361208161 1066540994 /nfs/dbraw/zinc/54/09/94/1066540994.db2.gz MHSVGJQXROSZJI-UHFFFAOYSA-N 0 0 458.299 4.732 20 0 JJADRN Cc1cccn2cc(CCNC(=O)c3cccnc3Oc3ccc(Br)cc3)nc12 ZINC001445160530 1066541158 /nfs/dbraw/zinc/54/11/58/1066541158.db2.gz ODWGQZJJDRNSBQ-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCO[C@H](C)c2ccccc2)o1 ZINC001361208552 1066541302 /nfs/dbraw/zinc/54/13/02/1066541302.db2.gz BDSNMDQNPSZLPH-GOSISDBHSA-N 0 0 478.515 4.908 20 0 JJADRN Cc1noc(C(F)(F)F)c1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001456235234 1066541712 /nfs/dbraw/zinc/54/17/12/1066541712.db2.gz CNJVQEFYXRDNNY-UHFFFAOYSA-N 0 0 452.816 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361208976 1066541909 /nfs/dbraw/zinc/54/19/09/1066541909.db2.gz IPYFJVWDEIETMP-SANMLTNESA-N 0 0 470.614 4.996 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(Cc4ccc(F)cc4)CC3)n2CCCC(F)(F)F)o1 ZINC001361209249 1066542230 /nfs/dbraw/zinc/54/22/30/1066542230.db2.gz QTTHDKRNXIIPOG-UHFFFAOYSA-N 0 0 466.479 4.902 20 0 JJADRN O=C(CCCc1cc(Cl)sc1Cl)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001445167785 1066542252 /nfs/dbraw/zinc/54/22/52/1066542252.db2.gz WLSHIFRQAYRKEY-UHFFFAOYSA-N 0 0 453.435 4.975 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2cccc(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545972444 1066542299 /nfs/dbraw/zinc/54/22/99/1066542299.db2.gz GGMKABORIKAIIH-FPOVZHCZSA-N 0 0 482.604 4.720 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cc1OCC ZINC001445166322 1066542324 /nfs/dbraw/zinc/54/23/24/1066542324.db2.gz SCOSSTUKJLFCNO-OAQYLSRUSA-N 0 0 452.595 4.801 20 0 JJADRN Cc1ccc(OC2CCN(C(=O)c3cc(I)c(F)cc3F)CC2)cc1 ZINC001456239174 1066542708 /nfs/dbraw/zinc/54/27/08/1066542708.db2.gz KZXDXWOBIWQJAB-UHFFFAOYSA-N 0 0 457.258 4.561 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc2[nH]cc(I)c2c1 ZINC001445172550 1066542794 /nfs/dbraw/zinc/54/27/94/1066542794.db2.gz HBTRRVYOVSTDJK-UHFFFAOYSA-N 0 0 459.312 4.826 20 0 JJADRN CC1(C)CCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001445170984 1066542845 /nfs/dbraw/zinc/54/28/45/1066542845.db2.gz CBMLQBXVDVRDGS-SFHVURJKSA-N 0 0 451.386 4.558 20 0 JJADRN CC(C)n1cc([C@@H](C)NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC001456241625 1066543250 /nfs/dbraw/zinc/54/32/50/1066543250.db2.gz LTQMKAVRFTYULM-OAHLLOKOSA-N 0 0 455.356 4.970 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445175641 1066543240 /nfs/dbraw/zinc/54/32/40/1066543240.db2.gz ILLQAFBDSWWJFP-IQMFZBJNSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCOc2ccc(F)c(F)c2)o1 ZINC001361210118 1066543348 /nfs/dbraw/zinc/54/33/48/1066543348.db2.gz AZHBTBGCWDCAJD-AWEZNQCLSA-N 0 0 456.415 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CCC2(O)CCC2)cc1Br ZINC001361210138 1066543400 /nfs/dbraw/zinc/54/34/00/1066543400.db2.gz BNHGFMILRSHYBK-UHFFFAOYSA-N 0 0 496.247 4.810 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361210171 1066543605 /nfs/dbraw/zinc/54/36/05/1066543605.db2.gz CNBAVJDTHMYDGG-IIBYNOLFSA-N 0 0 452.477 4.743 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cccc(Br)c4C3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361210305 1066543654 /nfs/dbraw/zinc/54/36/54/1066543654.db2.gz GVTQUDIGIMEZRQ-SSEXGKCCSA-N 0 0 491.455 4.719 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001445177834 1066543671 /nfs/dbraw/zinc/54/36/71/1066543671.db2.gz SZGSIHNOAUUBJW-QFIPXVFZSA-N 0 0 454.615 4.725 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445177425 1066543830 /nfs/dbraw/zinc/54/38/30/1066543830.db2.gz JOKGQUKMSSHRQK-IQMFZBJNSA-N 0 0 456.514 4.819 20 0 JJADRN CC(C)(C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1)N1C(=O)c2ccccc2C1=O ZINC001445177006 1066543875 /nfs/dbraw/zinc/54/38/75/1066543875.db2.gz VYATXFFDQSUBOM-UHFFFAOYSA-N 0 0 459.373 4.849 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361210604 1066544103 /nfs/dbraw/zinc/54/41/03/1066544103.db2.gz PDUJAXFXDQYKOW-YCRPNKLZSA-N 0 0 470.442 4.778 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361211092 1066544662 /nfs/dbraw/zinc/54/46/62/1066544662.db2.gz XELHVGCFQVOLLR-LJQANCHMSA-N 0 0 497.571 4.610 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1 ZINC001445193503 1066544695 /nfs/dbraw/zinc/54/46/95/1066544695.db2.gz PLRTYMPKRRMDJR-RTBURBONSA-N 0 0 454.998 4.823 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC001456245096 1066544763 /nfs/dbraw/zinc/54/47/63/1066544763.db2.gz OJMHJORHRKQWRT-DNQXCXABSA-N 0 0 459.608 4.616 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)/C=C\c3ccc(I)o3)s2)c1 ZINC001456246473 1066545119 /nfs/dbraw/zinc/54/51/19/1066545119.db2.gz FISVXCYGNDEXQO-XQRVVYSFSA-N 0 0 451.289 4.671 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1Br ZINC001361211810 1066545498 /nfs/dbraw/zinc/54/54/98/1066545498.db2.gz AZAYCRHSXCFYDW-APWZRJJASA-N 0 0 495.487 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361211767 1066545546 /nfs/dbraw/zinc/54/55/46/1066545546.db2.gz ACEMNCHMJUBOKY-CJNGLKHVSA-N 0 0 455.347 4.677 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cs1 ZINC001445214977 1066545719 /nfs/dbraw/zinc/54/57/19/1066545719.db2.gz OFQFPBHLULJKAG-LJQANCHMSA-N 0 0 453.608 4.507 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCC(C)C)C1)Oc1cccc(F)c1 ZINC001545972614 1066545811 /nfs/dbraw/zinc/54/58/11/1066545811.db2.gz JEEFZYSYRQGQFK-UNMCSNQZSA-N 0 0 455.578 4.532 20 0 JJADRN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001456249442 1066546139 /nfs/dbraw/zinc/54/61/39/1066546139.db2.gz INOCGTAYABAIQE-GOSISDBHSA-N 0 0 452.889 4.870 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cn2)o1 ZINC001361212057 1066546400 /nfs/dbraw/zinc/54/64/00/1066546400.db2.gz GHVRHMAHVWDSFH-SFHVURJKSA-N 0 0 484.576 4.512 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2CCOCCC(C)C)o1 ZINC001361212260 1066546817 /nfs/dbraw/zinc/54/68/17/1066546817.db2.gz KPUBDKMTBHUHCO-NRFANRHFSA-N 0 0 489.661 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(CC(C)C)CC2)cc1Br ZINC001361212202 1066546843 /nfs/dbraw/zinc/54/68/43/1066546843.db2.gz JESINGWIBVBNTR-SFHVURJKSA-N 0 0 488.474 4.934 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361212287 1066546933 /nfs/dbraw/zinc/54/69/33/1066546933.db2.gz KYHWFTNMRCMTKB-KRWDZBQOSA-N 0 0 495.550 4.621 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)c1 ZINC001361212656 1066547314 /nfs/dbraw/zinc/54/73/14/1066547314.db2.gz HGNGQXSLFDUMAO-UTKZUKDTSA-N 0 0 458.624 4.929 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001361212844 1066547785 /nfs/dbraw/zinc/54/77/85/1066547785.db2.gz QKNOHRZXOOOPLF-LBPRGKRZSA-N 0 0 456.900 4.927 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc(F)c(F)cc2I)c(C)n1 ZINC001361212824 1066547860 /nfs/dbraw/zinc/54/78/60/1066547860.db2.gz KHYUASRLBVGTCH-SECBINFHSA-N 0 0 459.278 4.671 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 ZINC001456256107 1066547973 /nfs/dbraw/zinc/54/79/73/1066547973.db2.gz NQUBJTPDCQAGTG-UHFFFAOYSA-N 0 0 459.930 4.990 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445230824 1066547954 /nfs/dbraw/zinc/54/79/54/1066547954.db2.gz FUIHWUQSSOLXMP-CXAGYDPISA-N 0 0 455.769 4.835 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545972876 1066548016 /nfs/dbraw/zinc/54/80/16/1066548016.db2.gz OKCOCJIDNGSYBS-HXUWFJFHSA-N 0 0 482.629 4.540 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)n2CCCC(=O)N(C)C)o1 ZINC001361213491 1066548252 /nfs/dbraw/zinc/54/82/52/1066548252.db2.gz YCWSAZHJQCFQCM-OAHLLOKOSA-N 0 0 496.559 4.574 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccc(CNC(C)=O)cc2)cc1Br ZINC001456259498 1066548381 /nfs/dbraw/zinc/54/83/81/1066548381.db2.gz XNWIHMFZBBLNNK-UHFFFAOYSA-N 0 0 454.162 4.662 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(CSC2CCOCC2)c1)n1nnc(-c2ccccc2)n1 ZINC001456258472 1066548451 /nfs/dbraw/zinc/54/84/51/1066548451.db2.gz WUIXGSHKKSDCOF-QFIPXVFZSA-N 0 0 451.596 4.588 20 0 JJADRN CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001445234565 1066548533 /nfs/dbraw/zinc/54/85/33/1066548533.db2.gz CBZQOHIULMAKGC-UHFFFAOYSA-N 0 0 455.486 4.519 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cc(F)c(F)cc1I ZINC001361213745 1066548696 /nfs/dbraw/zinc/54/86/96/1066548696.db2.gz ZKKDXTTXYQNULE-UHFFFAOYSA-N 0 0 452.036 4.513 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC2CCC(F)(F)CC2)o1 ZINC001361213769 1066548788 /nfs/dbraw/zinc/54/87/88/1066548788.db2.gz AIZCQADRYUXRMA-IBGZPJMESA-N 0 0 463.573 4.661 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC001456263145 1066549438 /nfs/dbraw/zinc/54/94/38/1066549438.db2.gz DYQCXWPMAYWWJQ-INIZCTEOSA-N 0 0 453.564 4.991 20 0 JJADRN O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC001445261958 1066549638 /nfs/dbraw/zinc/54/96/38/1066549638.db2.gz NPIBXZHDKIZHJM-SJORKVTESA-N 0 0 452.300 4.752 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCC(C)(C)O)cc1Br ZINC001361214110 1066549624 /nfs/dbraw/zinc/54/96/24/1066549624.db2.gz IVMUCOKDPIRBIC-GOSISDBHSA-N 0 0 479.463 4.961 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001456265656 1066549834 /nfs/dbraw/zinc/54/98/34/1066549834.db2.gz GNNMUEJVUZYZGU-GOSISDBHSA-N 0 0 454.523 4.881 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1)c1ccc(Br)o1 ZINC001445267387 1066550044 /nfs/dbraw/zinc/55/00/44/1066550044.db2.gz CLTOPBGMQOQPJU-IRXDYDNUSA-N 0 0 459.340 4.658 20 0 JJADRN CC(C)(C)c1csc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)n1 ZINC001456266695 1066550233 /nfs/dbraw/zinc/55/02/33/1066550233.db2.gz DYCIFEOSCPBMEK-UHFFFAOYSA-N 0 0 450.532 4.945 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3cc(F)c(Br)cc3C2)CCCC1 ZINC001456267984 1066550288 /nfs/dbraw/zinc/55/02/88/1066550288.db2.gz BPWKJCIEYIXXKO-UHFFFAOYSA-N 0 0 455.368 4.558 20 0 JJADRN CC(C)Oc1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001456269732 1066550786 /nfs/dbraw/zinc/55/07/86/1066550786.db2.gz JQMKQRRWYVGLMT-UHFFFAOYSA-N 0 0 459.608 4.778 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1C ZINC001445269965 1066550601 /nfs/dbraw/zinc/55/06/01/1066550601.db2.gz IWTLDQWPBOIMNC-OAHLLOKOSA-N 0 0 453.345 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCSC2)o1 ZINC001361214742 1066551137 /nfs/dbraw/zinc/55/11/37/1066551137.db2.gz WJXYSYRTZINGOL-MOPGFXCFSA-N 0 0 475.659 4.731 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)CC2=O)c1 ZINC001445272965 1066551280 /nfs/dbraw/zinc/55/12/80/1066551280.db2.gz LXUBXFBYNGLKOQ-RBBKRZOGSA-N 0 0 450.604 4.806 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1N)c1nc(-c2ccc(Cl)cc2)no1 ZINC001456270369 1066551423 /nfs/dbraw/zinc/55/14/23/1066551423.db2.gz PNRVRULVMWJROJ-MRVPVSSYSA-N 0 0 456.127 4.879 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCS2)o1 ZINC001361214754 1066551699 /nfs/dbraw/zinc/55/16/99/1066551699.db2.gz WNYJXWPILQERQK-MSOLQXFVSA-N 0 0 461.632 4.626 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCSC2)o1 ZINC001361214745 1066551775 /nfs/dbraw/zinc/55/17/75/1066551775.db2.gz WJXYSYRTZINGOL-RTBURBONSA-N 0 0 475.659 4.731 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c(C2CCCC2)n1 ZINC001456271732 1066551801 /nfs/dbraw/zinc/55/18/01/1066551801.db2.gz RJNZKCQZQQIOTL-UHFFFAOYSA-N 0 0 459.518 4.582 20 0 JJADRN COCCOCc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001456271835 1066551812 /nfs/dbraw/zinc/55/18/12/1066551812.db2.gz YTFMXGXELZTDDB-OAQYLSRUSA-N 0 0 454.567 4.508 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@@H](C)O)cc2)o1 ZINC001361214866 1066552053 /nfs/dbraw/zinc/55/20/53/1066552053.db2.gz ZAOMODZJVNSRPI-KNQAVFIVSA-N 0 0 495.624 4.784 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCCc2cc(Br)cc(C)c21)c1ccc(F)cc1F ZINC001361216027 1066552103 /nfs/dbraw/zinc/55/21/03/1066552103.db2.gz WHVCSCTVCJQYQL-IBGZPJMESA-N 0 0 451.311 4.582 20 0 JJADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC001445278602 1066552350 /nfs/dbraw/zinc/55/23/50/1066552350.db2.gz ZMJVZGMYSMQQOB-SFHVURJKSA-N 0 0 454.514 4.680 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccc(C(F)(F)F)n1 ZINC001456273759 1066552303 /nfs/dbraw/zinc/55/23/03/1066552303.db2.gz VVRUJBNJZUQALK-UHFFFAOYSA-N 0 0 456.392 4.605 20 0 JJADRN CCc1c(C(=O)N2CCc3cc(F)c(Br)cc3C2)cnn1-c1ccccc1OC ZINC001456273457 1066552407 /nfs/dbraw/zinc/55/24/07/1066552407.db2.gz MZCFCBILSDAICY-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)s1 ZINC001445281415 1066552433 /nfs/dbraw/zinc/55/24/33/1066552433.db2.gz AANHLKGEMBOOCI-OAHLLOKOSA-N 0 0 451.390 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361216938 1066552497 /nfs/dbraw/zinc/55/24/97/1066552497.db2.gz BYLXFCIISJHPOI-WMZHIEFXSA-N 0 0 495.624 4.975 20 0 JJADRN CC[C@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001456274733 1066552923 /nfs/dbraw/zinc/55/29/23/1066552923.db2.gz ZQIITDPSFOUBLW-IBGZPJMESA-N 0 0 454.596 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC2(C)CC2)cc1Br ZINC001361217449 1066552919 /nfs/dbraw/zinc/55/29/19/1066552919.db2.gz KJZSVTXRCPTPKF-UHFFFAOYSA-N 0 0 474.447 4.511 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361217446 1066553093 /nfs/dbraw/zinc/55/30/93/1066553093.db2.gz KCYDGXNBGOZFDU-IBGZPJMESA-N 0 0 488.474 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361217336 1066553098 /nfs/dbraw/zinc/55/30/98/1066553098.db2.gz BYICCAXRKNJYAL-RTBURBONSA-N 0 0 474.447 4.556 20 0 JJADRN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n2)c1 ZINC001445285665 1066553187 /nfs/dbraw/zinc/55/31/87/1066553187.db2.gz PLKWZMXHKVJYHK-HXUWFJFHSA-N 0 0 454.571 4.586 20 0 JJADRN O=C(N1CCc2cc(Cl)cc(Br)c2C1)C(O)(c1ccccc1)c1ccccc1 ZINC001456275779 1066553219 /nfs/dbraw/zinc/55/32/19/1066553219.db2.gz AOUCBXBXAYKITJ-UHFFFAOYSA-N 0 0 456.767 4.923 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2nn(-c3c(F)cccc3F)cc2C)cc1OC ZINC001456276370 1066553413 /nfs/dbraw/zinc/55/34/13/1066553413.db2.gz PUZGNWFUFMYIJS-UHFFFAOYSA-N 0 0 457.521 4.817 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC001445286622 1066553231 /nfs/dbraw/zinc/55/32/31/1066553231.db2.gz PBQOBFPWJZEKQA-GOSISDBHSA-N 0 0 454.617 4.953 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)c2csc(S(N)(=O)=O)c2)[C@@H]1C ZINC001445284080 1066553319 /nfs/dbraw/zinc/55/33/19/1066553319.db2.gz GQGFWXMUWGHWMY-VFVRVIDISA-N 0 0 459.008 4.655 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1(CC)CC ZINC001445286955 1066553753 /nfs/dbraw/zinc/55/37/53/1066553753.db2.gz LRSRCTZWVUARND-DSNGTPCMSA-N 0 0 458.462 4.779 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(Br)c(Cl)c1F ZINC001456277336 1066553765 /nfs/dbraw/zinc/55/37/65/1066553765.db2.gz SSDJLYSAQRUXCN-UHFFFAOYSA-N 0 0 458.755 4.972 20 0 JJADRN O=C(NCCc1ccc(Br)cc1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001456277740 1066553867 /nfs/dbraw/zinc/55/38/67/1066553867.db2.gz FWDUZCRNIQBQIO-FQEVSTJZSA-N 0 0 456.302 4.776 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3cccnc3)C(C)C)cc2)cc1C ZINC001445291420 1066554414 /nfs/dbraw/zinc/55/44/14/1066554414.db2.gz RQEXZMYAUQNBOJ-DEOSSOPVSA-N 0 0 451.592 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cc2C1 ZINC001456278779 1066554397 /nfs/dbraw/zinc/55/43/97/1066554397.db2.gz NCPKBHLAKXHFNP-QHCPKHFHSA-N 0 0 452.551 4.790 20 0 JJADRN COC(=O)c1cc(C)ccc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001456281821 1066554815 /nfs/dbraw/zinc/55/48/15/1066554815.db2.gz CODUYTGOZHHGOO-UHFFFAOYSA-N 0 0 452.551 4.987 20 0 JJADRN O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001456282001 1066554834 /nfs/dbraw/zinc/55/48/34/1066554834.db2.gz SMXPKRBNQKNRFA-UHFFFAOYSA-N 0 0 451.436 4.856 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)c(Cl)c1Cl ZINC001456281916 1066554860 /nfs/dbraw/zinc/55/48/60/1066554860.db2.gz KSENIVOCLDREFS-UHFFFAOYSA-N 0 0 458.183 4.843 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1-c1ccc(F)cc1 ZINC001456281250 1066554884 /nfs/dbraw/zinc/55/48/84/1066554884.db2.gz IIPSTNUAMRIALI-KRWDZBQOSA-N 0 0 458.484 4.574 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545973346 1066554995 /nfs/dbraw/zinc/55/49/95/1066554995.db2.gz XMXZHBMXINOSBU-FPOVZHCZSA-N 0 0 496.656 4.663 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1 ZINC001445292350 1066555075 /nfs/dbraw/zinc/55/50/75/1066555075.db2.gz TUYZGCSVWNNBEU-UQBPGWFLSA-N 0 0 457.574 4.865 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCOc4ccncc43)cs2)cc1 ZINC001361218418 1066555238 /nfs/dbraw/zinc/55/52/38/1066555238.db2.gz PLGDYXFIRDSQGL-UHFFFAOYSA-N 0 0 452.536 4.515 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001456284946 1066555224 /nfs/dbraw/zinc/55/52/24/1066555224.db2.gz SDWPOLCLMPTGIK-SJCJKPOMSA-N 0 0 459.812 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCCOC2CCCCC2)o1 ZINC001361218922 1066555723 /nfs/dbraw/zinc/55/57/23/1066555723.db2.gz XDMSNIKOPYFTQD-UHFFFAOYSA-N 0 0 487.645 4.891 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CC(F)(F)Br)o1 ZINC001361219038 1066555821 /nfs/dbraw/zinc/55/58/21/1066555821.db2.gz SPJAGGQCVYGVAX-HNNXBMFYSA-N 0 0 453.287 4.881 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001445297221 1066556033 /nfs/dbraw/zinc/55/60/33/1066556033.db2.gz XSMBBUQWTXWOQL-UHFFFAOYSA-N 0 0 453.612 4.523 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)c4c(F)cccc4F)CC3)n2CCCC(C)C)o1 ZINC001361219607 1066556210 /nfs/dbraw/zinc/55/62/10/1066556210.db2.gz HHJLAIAJZHSPAG-UHFFFAOYSA-N 0 0 457.525 4.523 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3Cc3cccs3)n2CCN(C)CC(F)(F)F)o1 ZINC001361219802 1066556719 /nfs/dbraw/zinc/55/67/19/1066556719.db2.gz QOXUMAUFZZLFSM-INIZCTEOSA-N 0 0 453.534 4.614 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973845 1066557881 /nfs/dbraw/zinc/55/78/81/1066557881.db2.gz JRZHWCOMWPWZQT-CTNGQTDRSA-N 0 0 458.331 4.502 20 0 JJADRN CCc1nc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)nn1-c1ccccc1Cl ZINC001456300098 1066557913 /nfs/dbraw/zinc/55/79/13/1066557913.db2.gz PQXKLYPJNJIZNN-UHFFFAOYSA-N 0 0 459.312 4.773 20 0 JJADRN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC001445335898 1066558403 /nfs/dbraw/zinc/55/84/03/1066558403.db2.gz JHQDJVGIXMJDKC-UHFFFAOYSA-N 0 0 452.515 4.713 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361220856 1066558426 /nfs/dbraw/zinc/55/84/26/1066558426.db2.gz GSIUMHGGHMYAEY-HOTGVXAUSA-N 0 0 484.601 4.701 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC001445337264 1066558873 /nfs/dbraw/zinc/55/88/73/1066558873.db2.gz ZRPXBBKMMWMAFO-UHFFFAOYSA-N 0 0 453.023 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2c(C)coc2C)o1 ZINC001361220940 1066558911 /nfs/dbraw/zinc/55/89/11/1066558911.db2.gz JGGKJASYCHADCE-INIZCTEOSA-N 0 0 455.559 4.550 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC3CCN(CC(F)(F)F)CC3)cc12 ZINC001445337791 1066558964 /nfs/dbraw/zinc/55/89/64/1066558964.db2.gz PXNMOLULHDQFNP-UHFFFAOYSA-N 0 0 450.530 4.790 20 0 JJADRN CC(C)[C@H](CNC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)Cc1ccc(Cl)cc1Cl ZINC001456303425 1066558955 /nfs/dbraw/zinc/55/89/55/1066558955.db2.gz PSUQKHHBPPOQOM-HNNXBMFYSA-N 0 0 454.398 4.927 20 0 JJADRN C[C@@H]1CC2(CC(NC(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C(=O)OC(C)(C)C)C2)CO1 ZINC001456302267 1066559215 /nfs/dbraw/zinc/55/92/15/1066559215.db2.gz XUCSDAKCUSGYBK-HXEZKPTNSA-N 0 0 457.398 4.975 20 0 JJADRN C[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)Oc1ccccc1Br ZINC001445338879 1066559273 /nfs/dbraw/zinc/55/92/73/1066559273.db2.gz PDZRVDGBBLUYFX-CQSZACIVSA-N 0 0 458.356 4.817 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCOc2ccccc2C)o1 ZINC001361221153 1066559375 /nfs/dbraw/zinc/55/93/75/1066559375.db2.gz PJQJHPABGULACB-IBGZPJMESA-N 0 0 481.597 4.680 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC001456305728 1066559749 /nfs/dbraw/zinc/55/97/49/1066559749.db2.gz YYUOTJIFNMDGRO-UHFFFAOYSA-N 0 0 450.510 4.554 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCSc2ccccc2)o1 ZINC001361221363 1066560172 /nfs/dbraw/zinc/56/01/72/1066560172.db2.gz WYSIHTYWNLSSCM-UHFFFAOYSA-N 0 0 482.654 4.659 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001445342580 1066560190 /nfs/dbraw/zinc/56/01/90/1066560190.db2.gz JZXHTRDPPHPLEH-UHFFFAOYSA-N 0 0 457.574 4.746 20 0 JJADRN Cc1cc(Br)cc(C(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1C ZINC001445346378 1066560509 /nfs/dbraw/zinc/56/05/09/1066560509.db2.gz JZNKXSDLNDRUJZ-KRWDZBQOSA-N 0 0 450.682 4.899 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545974185 1066561055 /nfs/dbraw/zinc/56/10/55/1066561055.db2.gz QWSPMVCBLZOEFC-AZUAARDMSA-N 0 0 450.348 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361222625 1066561103 /nfs/dbraw/zinc/56/11/03/1066561103.db2.gz KBXJPMAJIIKTPF-HXUWFJFHSA-N 0 0 494.640 4.676 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 ZINC001456316474 1066561181 /nfs/dbraw/zinc/56/11/81/1066561181.db2.gz HJYODTYCICCEKE-MUUNZHRXSA-N 0 0 457.349 4.691 20 0 JJADRN CCc1c(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cnn1CCC(C)C ZINC001456314120 1066561302 /nfs/dbraw/zinc/56/13/02/1066561302.db2.gz ZMTGOGFXYMDTFQ-UHFFFAOYSA-N 0 0 451.571 4.661 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001445352855 1066561712 /nfs/dbraw/zinc/56/17/12/1066561712.db2.gz BFGXUXWQRIZUGU-KEYYUXOJSA-N 0 0 450.954 4.676 20 0 JJADRN CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@H](COC)Cc1ccccc1 ZINC001445358426 1066561722 /nfs/dbraw/zinc/56/17/22/1066561722.db2.gz KPUSJYKJNUXDIO-FPOVZHCZSA-N 0 0 455.599 4.520 20 0 JJADRN O=C(Nc1c[nH]c2ccccc12)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001456319792 1066561828 /nfs/dbraw/zinc/56/18/28/1066561828.db2.gz MZWXYOVIPKTTEQ-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2Cc2ccco2)cc1Br ZINC001361224048 1066561937 /nfs/dbraw/zinc/56/19/37/1066561937.db2.gz HUIXPPBOGOSNQH-HNNXBMFYSA-N 0 0 498.347 4.730 20 0 JJADRN CCCCCn1nc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)c2ccccc2c1=O ZINC001456321140 1066562324 /nfs/dbraw/zinc/56/23/24/1066562324.db2.gz OKQAXIJORRBFRZ-UHFFFAOYSA-N 0 0 456.546 4.856 20 0 JJADRN CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@@H](COC)Cc1ccccc1 ZINC001445358432 1066562229 /nfs/dbraw/zinc/56/22/29/1066562229.db2.gz KPUSJYKJNUXDIO-PZJWPPBQSA-N 0 0 455.599 4.520 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC001445358713 1066562252 /nfs/dbraw/zinc/56/22/52/1066562252.db2.gz NOWXIYQVQJSRAI-KGLIPLIRSA-N 0 0 454.445 4.648 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)ccn1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001445360271 1066562259 /nfs/dbraw/zinc/56/22/59/1066562259.db2.gz RBCOIPDTOVLRJP-UHFFFAOYSA-N 0 0 453.873 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361224120 1066562505 /nfs/dbraw/zinc/56/25/05/1066562505.db2.gz JSCLSJYAWHOVRV-RCCFBDPRSA-N 0 0 467.536 4.833 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2CCC(C(F)(F)F)CC2)o1 ZINC001361224235 1066562519 /nfs/dbraw/zinc/56/25/19/1066562519.db2.gz MZJDHMCXFDKIFX-UHFFFAOYSA-N 0 0 479.469 4.900 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cc(-c2ccccc2O)[nH]n1 ZINC001445361226 1066562562 /nfs/dbraw/zinc/56/25/62/1066562562.db2.gz UPGAGWRPGLEFLI-UHFFFAOYSA-N 0 0 452.923 4.680 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC001456323941 1066562702 /nfs/dbraw/zinc/56/27/02/1066562702.db2.gz XCIBQPIYSGHKFZ-JOCHJYFZSA-N 0 0 450.623 4.736 20 0 JJADRN O=C(Oc1c(Cl)cc(Br)cc1Cl)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001456325140 1066562863 /nfs/dbraw/zinc/56/28/63/1066562863.db2.gz QZYBCSNTNHYLNJ-UHFFFAOYSA-N 0 0 458.070 4.660 20 0 JJADRN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001445365913 1066562866 /nfs/dbraw/zinc/56/28/66/1066562866.db2.gz CVYQOURPCDREEL-HSZRJFAPSA-N 0 0 450.485 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCC[C@@H]2C)cc1Br ZINC001361224390 1066562986 /nfs/dbraw/zinc/56/29/86/1066562986.db2.gz SLMZSEGRKBQZSC-FXAWDEMLSA-N 0 0 488.474 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CC[C@@H](C)C2)cc1Br ZINC001361224515 1066563299 /nfs/dbraw/zinc/56/32/99/1066563299.db2.gz WRPGFXFXCDVLGN-MJGOQNOKSA-N 0 0 488.474 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CC[C@H](C)C2)cc1Br ZINC001361224513 1066563312 /nfs/dbraw/zinc/56/33/12/1066563312.db2.gz WRPGFXFXCDVLGN-HKUYNNGSSA-N 0 0 488.474 4.757 20 0 JJADRN COc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)ccc1OCc1ccc(Br)s1 ZINC000032488535 1066563366 /nfs/dbraw/zinc/56/33/66/1066563366.db2.gz DNUUPMQREIFBNT-UHFFFAOYSA-N 0 0 494.436 4.795 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC001456331366 1066563821 /nfs/dbraw/zinc/56/38/21/1066563821.db2.gz MONRQSVOKWZTTL-HXOBKFHXSA-N 0 0 455.553 4.898 20 0 JJADRN COc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c2ccccc2n1 ZINC001456329316 1066563917 /nfs/dbraw/zinc/56/39/17/1066563917.db2.gz JFKJLYCLDZYBNN-INIZCTEOSA-N 0 0 454.368 4.525 20 0 JJADRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445371441 1066563873 /nfs/dbraw/zinc/56/38/73/1066563873.db2.gz AICKXHIXRMVFBP-UYAOXDASSA-N 0 0 452.551 4.720 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001361225112 1066564032 /nfs/dbraw/zinc/56/40/32/1066564032.db2.gz QRKXXYPPVZNBAO-QHCPKHFHSA-N 0 0 454.611 4.787 20 0 JJADRN C[C@H](CCC1CCCCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001456329313 1066564009 /nfs/dbraw/zinc/56/40/09/1066564009.db2.gz DXDTZVYVJNLXGG-MRXNPFEDSA-N 0 0 459.027 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Br)c2F)C2(CCCCC2)C1 ZINC001456335920 1066564814 /nfs/dbraw/zinc/56/48/14/1066564814.db2.gz IVJUCHWUGIPTEI-UHFFFAOYSA-N 0 0 455.368 4.984 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)/C=C/c3ccc(I)o3)cc2)cc1 ZINC001456335792 1066564835 /nfs/dbraw/zinc/56/48/35/1066564835.db2.gz VWHATVKVPDCNRF-ACCUITESSA-N 0 0 459.283 4.889 20 0 JJADRN Cc1sc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)nc1-c1ccc2c(c1)CCC2 ZINC001361226661 1066564859 /nfs/dbraw/zinc/56/48/59/1066564859.db2.gz RZOLCMSTUNWUPC-CQSZACIVSA-N 0 0 458.580 4.795 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545974527 1066564972 /nfs/dbraw/zinc/56/49/72/1066564972.db2.gz ALQNKXPYCRNACE-OAQYLSRUSA-N 0 0 492.624 4.676 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC001445375957 1066565048 /nfs/dbraw/zinc/56/50/48/1066565048.db2.gz UDOVHMGZBJNQPK-QHCPKHFHSA-N 0 0 450.623 4.951 20 0 JJADRN O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001445375924 1066565087 /nfs/dbraw/zinc/56/50/87/1066565087.db2.gz TVMCVCXQVFOPQJ-DEOSSOPVSA-N 0 0 450.485 4.721 20 0 JJADRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001445378137 1066565094 /nfs/dbraw/zinc/56/50/94/1066565094.db2.gz OIZOISUXGJHLSX-RXVVDRJESA-N 0 0 452.551 4.720 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)c2cc(F)ccc2OC)c1 ZINC001445386590 1066565515 /nfs/dbraw/zinc/56/55/15/1066565515.db2.gz AOBFFDDMFLBKMD-FPOVZHCZSA-N 0 0 456.480 4.615 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCc2nccs2)cc1Br ZINC001361227373 1066565907 /nfs/dbraw/zinc/56/59/07/1066565907.db2.gz LIOLAKLGXQJWMX-UHFFFAOYSA-N 0 0 476.444 4.721 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 ZINC001456341825 1066565929 /nfs/dbraw/zinc/56/59/29/1066565929.db2.gz QZCPAAPMYSCNQQ-HSZRJFAPSA-N 0 0 457.530 4.600 20 0 JJADRN CC(C)(C)N1C[C@H](NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1=O ZINC001445387762 1066566073 /nfs/dbraw/zinc/56/60/73/1066566073.db2.gz FOMSPHQSJVFZBR-QGZVFWFLSA-N 0 0 453.970 4.503 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545974654 1066566170 /nfs/dbraw/zinc/56/61/70/1066566170.db2.gz CKOGBTBBYCAXLW-ROUUACIJSA-N 0 0 452.603 4.729 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccn(C2CCOCC2)n1 ZINC001456346020 1066566299 /nfs/dbraw/zinc/56/62/99/1066566299.db2.gz VAEWODKDUOBSEP-UHFFFAOYSA-N 0 0 455.898 4.719 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ncccc2C)cc1Br ZINC001361227724 1066566510 /nfs/dbraw/zinc/56/65/10/1066566510.db2.gz UBQMVQKMEFIABQ-NRFANRHFSA-N 0 0 470.415 4.629 20 0 JJADRN CC[C@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)Oc1cccc(C(F)(F)F)c1 ZINC001445396196 1066566487 /nfs/dbraw/zinc/56/64/87/1066566487.db2.gz WFHHELZZOGMGFM-HIFRSBDPSA-N 0 0 454.436 4.528 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456347624 1066566871 /nfs/dbraw/zinc/56/68/71/1066566871.db2.gz ZVVHSVJBUUFYGA-NRFANRHFSA-N 0 0 455.480 4.617 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001445400585 1066567073 /nfs/dbraw/zinc/56/70/73/1066567073.db2.gz FFMDNZCHCVHVGE-IBGZPJMESA-N 0 0 458.356 4.825 20 0 JJADRN CC[C@H](CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001445399715 1066566979 /nfs/dbraw/zinc/56/69/79/1066566979.db2.gz ZDMKRZNOLXPBRV-CQSZACIVSA-N 0 0 454.436 4.529 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001545974707 1066567108 /nfs/dbraw/zinc/56/71/08/1066567108.db2.gz DDJTXNYMOOSMFJ-LJQANCHMSA-N 0 0 489.624 4.772 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001456349901 1066567275 /nfs/dbraw/zinc/56/72/75/1066567275.db2.gz HLLIXCWCCJKAED-QFIPXVFZSA-N 0 0 451.425 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2(Cc3ccccc3Br)CC2)C(C)(C)C1 ZINC001456350238 1066567328 /nfs/dbraw/zinc/56/73/28/1066567328.db2.gz DACLVMMICGYLBV-UHFFFAOYSA-N 0 0 451.405 4.630 20 0 JJADRN CC(C)OCCOC[C@H](O)CN(C)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC001445406740 1066567526 /nfs/dbraw/zinc/56/75/26/1066567526.db2.gz GMZDVSUSEJYTRW-GFCCVEGCSA-N 0 0 454.803 4.736 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cc(C)n(C4CCCCC4)c3C)C2=O)c1 ZINC001445406521 1066567766 /nfs/dbraw/zinc/56/77/66/1066567766.db2.gz XMNCTTDINZYNJE-XMMPIXPASA-N 0 0 453.583 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@](C)(O)C(C)C)cc1Br ZINC001361229346 1066568738 /nfs/dbraw/zinc/56/87/38/1066568738.db2.gz QGRQRTZGXKVYBB-RDPSFJRHSA-N 0 0 491.474 4.676 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2COCC[Si](C)(C)C)cc1 ZINC001456357140 1066568867 /nfs/dbraw/zinc/56/88/67/1066568867.db2.gz GOZNGZUCRYAOJC-HXUWFJFHSA-N 0 0 457.647 4.595 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)c2)n1 ZINC001456357416 1066568931 /nfs/dbraw/zinc/56/89/31/1066568931.db2.gz GVOBRQMAGNLZIA-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC2(F)CCC2)cc1Br ZINC001361229637 1066569034 /nfs/dbraw/zinc/56/90/34/1066569034.db2.gz UDGKEKBJQGFFHJ-IBGZPJMESA-N 0 0 495.437 4.929 20 0 JJADRN Cc1csc(-c2cccc(C(=O)N(C)C[C@@H](O)COc3ccc(C(F)(F)F)cc3)c2)n1 ZINC001445419428 1066569400 /nfs/dbraw/zinc/56/94/00/1066569400.db2.gz GTMYFXSUGSBWGW-GOSISDBHSA-N 0 0 450.482 4.649 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC001361230515 1066569606 /nfs/dbraw/zinc/56/96/06/1066569606.db2.gz WQVKLSMWXVDDHT-CVEARBPZSA-N 0 0 456.029 4.588 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001445424474 1066569872 /nfs/dbraw/zinc/56/98/72/1066569872.db2.gz MTIVLXXVESIUFR-IBGZPJMESA-N 0 0 451.485 4.593 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)cc1Br ZINC001361230803 1066569958 /nfs/dbraw/zinc/56/99/58/1066569958.db2.gz CLPZDEQTBQISAC-JOCHJYFZSA-N 0 0 491.455 4.849 20 0 JJADRN CC(C)Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2COCC[Si](C)(C)C)cc(=O)[nH]1 ZINC001456359523 1066569854 /nfs/dbraw/zinc/56/98/54/1066569854.db2.gz LXOQPQKWTWQFPY-NRFANRHFSA-N 0 0 458.679 4.718 20 0 JJADRN CSCc1c2ccccc2oc1C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001445429789 1066570306 /nfs/dbraw/zinc/57/03/06/1066570306.db2.gz YAVCRWBGINWOSA-HNNXBMFYSA-N 0 0 453.482 4.827 20 0 JJADRN CSCc1c2ccccc2oc1C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001445429797 1066570412 /nfs/dbraw/zinc/57/04/12/1066570412.db2.gz YAVCRWBGINWOSA-OAHLLOKOSA-N 0 0 453.482 4.827 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H]2CCCO2)cc1Br ZINC001361230874 1066570387 /nfs/dbraw/zinc/57/03/87/1066570387.db2.gz DYZHFXUFNFGZDA-UXLLHSPISA-N 0 0 451.434 4.525 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccc(Cl)cc1 ZINC001456362032 1066570817 /nfs/dbraw/zinc/57/08/17/1066570817.db2.gz RVUFINQXFMOQQP-PSZVPEGOSA-N 0 0 456.789 4.633 20 0 JJADRN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccc(Cl)cc1 ZINC001456362029 1066570871 /nfs/dbraw/zinc/57/08/71/1066570871.db2.gz RVUFINQXFMOQQP-MZKGEVEHSA-N 0 0 456.789 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@]2(O)CCC[C@@H]2C)cc1Br ZINC001361231200 1066570956 /nfs/dbraw/zinc/57/09/56/1066570956.db2.gz NUKIYPWOFSZGLB-CKJXQJPGSA-N 0 0 465.461 4.509 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC001456362291 1066571126 /nfs/dbraw/zinc/57/11/26/1066571126.db2.gz BVQPNVZUELSMKO-HSZRJFAPSA-N 0 0 454.542 4.859 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001456362815 1066571171 /nfs/dbraw/zinc/57/11/71/1066571171.db2.gz LCJFGMIQCAKVJR-DAXSKMNVSA-N 0 0 452.860 4.792 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)C1 ZINC001456362553 1066571253 /nfs/dbraw/zinc/57/12/53/1066571253.db2.gz JZEOOIBRKFRIQA-CVEARBPZSA-N 0 0 456.493 4.634 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(-c4nccc(C)n4)c3)cc2)cc1 ZINC001456363046 1066571656 /nfs/dbraw/zinc/57/16/56/1066571656.db2.gz UUPXUAWJVBAVIZ-UHFFFAOYSA-N 0 0 457.555 4.987 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC001361231751 1066571864 /nfs/dbraw/zinc/57/18/64/1066571864.db2.gz TZALJAKKAGVLEW-HUUCEWRRSA-N 0 0 467.517 4.561 20 0 JJADRN CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001445441707 1066571851 /nfs/dbraw/zinc/57/18/51/1066571851.db2.gz RCGONEYQMPIKHK-MOPGFXCFSA-N 0 0 453.029 4.853 20 0 JJADRN CC(C)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)CC1 ZINC001445442819 1066572130 /nfs/dbraw/zinc/57/21/30/1066572130.db2.gz HETNIPRRBSMUGL-FQEVSTJZSA-N 0 0 451.405 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361232382 1066572741 /nfs/dbraw/zinc/57/27/41/1066572741.db2.gz ZLVSXPPCUXVWAB-DLBZAZTESA-N 0 0 471.593 4.841 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001445452448 1066572795 /nfs/dbraw/zinc/57/27/95/1066572795.db2.gz FAXBWTFSGCXWPI-QGZVFWFLSA-N 0 0 452.580 4.580 20 0 JJADRN CC(C)CC1CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001445455175 1066573094 /nfs/dbraw/zinc/57/30/94/1066573094.db2.gz ZXZHZWPVJNMQGV-OALUTQOASA-N 0 0 456.656 4.620 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001445457846 1066573173 /nfs/dbraw/zinc/57/31/73/1066573173.db2.gz IFJZYQKZMXZAIU-UHFFFAOYSA-N 0 0 451.778 4.835 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCOC2(C1)CCCCCC2)NC(=O)OC(C)(C)C ZINC001545975349 1066573195 /nfs/dbraw/zinc/57/31/95/1066573195.db2.gz QDYAXQQXJFEJRD-LJQANCHMSA-N 0 0 472.634 4.506 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H](CC(=O)OC(C)(C)C)C3)cc2)c1 ZINC001445454692 1066573289 /nfs/dbraw/zinc/57/32/89/1066573289.db2.gz HORRJCCPYXJJBQ-OAQYLSRUSA-N 0 0 450.579 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2(O)CCCC2(C)C)cc1Br ZINC001361232732 1066573415 /nfs/dbraw/zinc/57/34/15/1066573415.db2.gz VWUUQYBBNZVWMI-QRFQSNJMSA-N 0 0 465.411 4.751 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445462477 1066573651 /nfs/dbraw/zinc/57/36/51/1066573651.db2.gz OCAWWVRCTZBXGZ-UHFFFAOYSA-N 0 0 455.407 4.773 20 0 JJADRN Cc1cc([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)[nH]n1 ZINC001456380930 1066573713 /nfs/dbraw/zinc/57/37/13/1066573713.db2.gz IPROUZJDLXMYSJ-FYYLOGMGSA-N 0 0 450.970 4.987 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001456377773 1066573840 /nfs/dbraw/zinc/57/38/40/1066573840.db2.gz PXPJOKVDAKQPOL-MRXNPFEDSA-N 0 0 458.521 4.885 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001456378717 1066573851 /nfs/dbraw/zinc/57/38/51/1066573851.db2.gz PLHXNDSZIIEPFD-SGMGOOAPSA-N 0 0 457.294 4.747 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001361233329 1066573768 /nfs/dbraw/zinc/57/37/68/1066573768.db2.gz FGNSAPFPWFNAAT-SWAFVMGKSA-N 0 0 488.698 4.516 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](CC(C)C)c2ccccc2OC)cc1 ZINC001445464980 1066574099 /nfs/dbraw/zinc/57/40/99/1066574099.db2.gz TYHXNMKMDAWBIJ-FQEVSTJZSA-N 0 0 454.596 4.545 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445463941 1066574125 /nfs/dbraw/zinc/57/41/25/1066574125.db2.gz QKIIBOVXLWRBBI-KRWDZBQOSA-N 0 0 451.325 4.766 20 0 JJADRN Cc1ccc(-c2nnc(Nc3ccn(C)n3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001361233335 1066574256 /nfs/dbraw/zinc/57/42/56/1066574256.db2.gz FJTSKPYIIJWRIP-GJZGRUSLSA-N 0 0 459.392 4.697 20 0 JJADRN CN(CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001456382927 1066574317 /nfs/dbraw/zinc/57/43/17/1066574317.db2.gz LGWJPRZCKAKQOI-FQEVSTJZSA-N 0 0 455.407 4.758 20 0 JJADRN COc1ccc(C[C@@H]2CCN2C(=O)c2c(F)ccc(I)c2Cl)cc1 ZINC001445466910 1066574489 /nfs/dbraw/zinc/57/44/89/1066574489.db2.gz SXDQFMJDKKEIFF-LBPRGKRZSA-N 0 0 459.686 4.550 20 0 JJADRN C[C@H](C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)N(C(=O)OC(C)(C)C)C1CC1 ZINC001445466334 1066574650 /nfs/dbraw/zinc/57/46/50/1066574650.db2.gz VIPADBNZOHRVAM-LLVKDONJSA-N 0 0 451.778 4.930 20 0 JJADRN CCc1nc(C(=O)NCc2cc(OC)nc3ccccc23)nn1-c1c(Cl)cccc1Cl ZINC001361234379 1066574747 /nfs/dbraw/zinc/57/47/47/1066574747.db2.gz LQHMRZBKYONUIM-UHFFFAOYSA-N 0 0 456.333 4.623 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC(F)F)o1 ZINC001361233992 1066574821 /nfs/dbraw/zinc/57/48/21/1066574821.db2.gz KNPMWDGVWFJJAH-SFHVURJKSA-N 0 0 473.524 4.503 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361234306 1066574857 /nfs/dbraw/zinc/57/48/57/1066574857.db2.gz MWIVHJAIBGJSFR-RDTXWAMCSA-N 0 0 491.543 4.870 20 0 JJADRN O=C(Nc1cccc(OC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c1)c1ccco1 ZINC001456386312 1066574895 /nfs/dbraw/zinc/57/48/95/1066574895.db2.gz ILKOOGVMNPRVMU-UHFFFAOYSA-N 0 0 457.273 4.698 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)Oc1ccccc1F ZINC001545975466 1066574949 /nfs/dbraw/zinc/57/49/49/1066574949.db2.gz SASLAALBBNVYJL-MOPGFXCFSA-N 0 0 498.603 4.716 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361234303 1066574951 /nfs/dbraw/zinc/57/49/51/1066574951.db2.gz MWIVHJAIBGJSFR-KBXCAEBGSA-N 0 0 491.543 4.870 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)c3nc(C(F)(F)F)n[nH]3)cc12 ZINC001456384556 1066575089 /nfs/dbraw/zinc/57/50/89/1066575089.db2.gz MXZNWLPWCVWCNW-SECBINFHSA-N 0 0 454.865 4.677 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 ZINC001456388854 1066575672 /nfs/dbraw/zinc/57/56/72/1066575672.db2.gz VLHNZWXHBHRNFE-UHFFFAOYSA-N 0 0 450.226 4.810 20 0 JJADRN CC[C@H](NC(=O)c1cc(OC)ncn1)c1ccccc1OCc1ccccc1Br ZINC001456389002 1066575660 /nfs/dbraw/zinc/57/56/60/1066575660.db2.gz AVZVHICXUSILDM-SFHVURJKSA-N 0 0 456.340 4.708 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br)c1ccccc1 ZINC001445478945 1066575939 /nfs/dbraw/zinc/57/59/39/1066575939.db2.gz ODOQJRPNTYELQA-LJQANCHMSA-N 0 0 452.352 4.572 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)C)n2)cc1 ZINC001361235779 1066576339 /nfs/dbraw/zinc/57/63/39/1066576339.db2.gz ZJUNGOYWOXSKHE-NRFANRHFSA-N 0 0 466.655 4.889 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCCO)o1 ZINC001361236437 1066576602 /nfs/dbraw/zinc/57/66/02/1066576602.db2.gz IYINVJAJEMRKEM-JOCHJYFZSA-N 0 0 452.599 4.885 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001361236407 1066576666 /nfs/dbraw/zinc/57/66/66/1066576666.db2.gz ILJWYRBMWWMJQR-FCHUYYIVSA-N 0 0 469.630 4.689 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC001456394456 1066577090 /nfs/dbraw/zinc/57/70/90/1066577090.db2.gz SJLOOEJEKCIVAA-UHFFFAOYSA-N 0 0 457.935 4.728 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[C@@H](C)CCc2cccn2C)cc1OC ZINC001456394099 1066577235 /nfs/dbraw/zinc/57/72/35/1066577235.db2.gz WSFZJAKQJUGXNR-IBGZPJMESA-N 0 0 458.562 4.646 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)NCc1csc(CCc2ccccc2)n1 ZINC001445489154 1066577475 /nfs/dbraw/zinc/57/74/75/1066577475.db2.gz MBYACKCPXMUASY-UHFFFAOYSA-N 0 0 458.559 4.909 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCc1nccn1CCCc1ccccc1 ZINC001445494340 1066577809 /nfs/dbraw/zinc/57/78/09/1066577809.db2.gz NKVGBGTTZFORFK-FCHUYYIVSA-N 0 0 454.615 4.606 20 0 JJADRN COCCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC001445498392 1066577934 /nfs/dbraw/zinc/57/79/34/1066577934.db2.gz VBQLANFTFIHSMJ-UHFFFAOYSA-N 0 0 450.966 4.995 20 0 JJADRN CCC1(CC)CN(C(=O)CNC(=O)CCc2ccc(C)cc2)c2ccc(Br)cc21 ZINC001445491297 1066577960 /nfs/dbraw/zinc/57/79/60/1066577960.db2.gz OAOUIHFOWYNGJT-UHFFFAOYSA-N 0 0 457.412 4.911 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CCSc1ccc(Br)cc1)O[C@@H](C)C2 ZINC001361237442 1066578074 /nfs/dbraw/zinc/57/80/74/1066578074.db2.gz ICCCAJPROWXGNC-AWEZNQCLSA-N 0 0 450.398 4.970 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1sc(C)nc1-c1cccs1 ZINC001456397916 1066578222 /nfs/dbraw/zinc/57/82/22/1066578222.db2.gz AEWISVWAAHDYDP-UHFFFAOYSA-N 0 0 450.532 4.593 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2Cl)CC1=O ZINC001456398219 1066578496 /nfs/dbraw/zinc/57/84/96/1066578496.db2.gz UMSYAICGUOAFPL-ZDUSSCGKSA-N 0 0 453.341 4.588 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC001361238000 1066578561 /nfs/dbraw/zinc/57/85/61/1066578561.db2.gz RYUGWIWOSKWQDU-GPXOXTDOSA-N 0 0 481.685 4.866 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445509150 1066578635 /nfs/dbraw/zinc/57/86/35/1066578635.db2.gz RQWSZDAWUSPSCD-BMUCWXDRSA-N 0 0 468.516 4.645 20 0 JJADRN COCCN(CC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)C(=O)OC(C)(C)C ZINC001361238110 1066578756 /nfs/dbraw/zinc/57/87/56/1066578756.db2.gz MFPCWQODPWEOIJ-FQEVSTJZSA-N 0 0 456.583 4.635 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(OC3CCCCC3)cc2)nc1I ZINC001456404073 1066579206 /nfs/dbraw/zinc/57/92/06/1066579206.db2.gz VHIKKAOWVVXNKD-UHFFFAOYSA-N 0 0 452.292 4.659 20 0 JJADRN CC(C)c1csc(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)n1 ZINC001445514651 1066579321 /nfs/dbraw/zinc/57/93/21/1066579321.db2.gz DKOFFWIJEVYJKE-UHFFFAOYSA-N 0 0 454.255 4.820 20 0 JJADRN Cn1nc(C2CCCCC2)cc1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC001445517092 1066579639 /nfs/dbraw/zinc/57/96/39/1066579639.db2.gz GXICNCGNKLOGDH-HHHXNRCGSA-N 0 0 452.418 4.757 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)o1 ZINC001361238685 1066579777 /nfs/dbraw/zinc/57/97/77/1066579777.db2.gz XDYIZBGOEIOLMF-QFIPXVFZSA-N 0 0 465.598 4.585 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2Br)no1 ZINC001361238779 1066579849 /nfs/dbraw/zinc/57/98/49/1066579849.db2.gz ZJHKFYWJTCVEEJ-KRWDZBQOSA-N 0 0 458.360 4.568 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC001445516584 1066579882 /nfs/dbraw/zinc/57/98/82/1066579882.db2.gz SPOZWDFDBRTJRN-SFHVURJKSA-N 0 0 456.015 4.578 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC001445516578 1066579901 /nfs/dbraw/zinc/57/99/01/1066579901.db2.gz SPOZWDFDBRTJRN-GOSISDBHSA-N 0 0 456.015 4.578 20 0 JJADRN COc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1NC(=O)C1CCCCC1 ZINC001456408542 1066580242 /nfs/dbraw/zinc/58/02/42/1066580242.db2.gz HSRSETJIBOLVHW-UHFFFAOYSA-N 0 0 453.564 4.979 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCC(Cc2ccccc2F)CC1 ZINC001445517654 1066580234 /nfs/dbraw/zinc/58/02/34/1066580234.db2.gz YMMUTSLOBANALO-UHFFFAOYSA-N 0 0 455.530 4.697 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001456408515 1066580431 /nfs/dbraw/zinc/58/04/31/1066580431.db2.gz FKWVXNJQYKUDCJ-LJQANCHMSA-N 0 0 452.501 4.660 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545976007 1066580477 /nfs/dbraw/zinc/58/04/77/1066580477.db2.gz DQPRFNLVVOKWKP-NRFANRHFSA-N 0 0 450.510 4.656 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(COc3ccccc3F)n2CCOCC(F)F)o1 ZINC001361238933 1066580938 /nfs/dbraw/zinc/58/09/38/1066580938.db2.gz YZIQLRZARDHGTC-QGZVFWFLSA-N 0 0 450.461 4.521 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1 ZINC001546082233 1066580947 /nfs/dbraw/zinc/58/09/47/1066580947.db2.gz LFJXYKDLGRQIJC-UHFFFAOYSA-N 0 0 456.340 4.691 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCCO2)c(C)c1 ZINC001361239407 1066581285 /nfs/dbraw/zinc/58/12/85/1066581285.db2.gz FCFLRAPRJFERCG-OAQYLSRUSA-N 0 0 486.458 4.911 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3ccccc3CC(C)C)c2)cc1 ZINC001456415937 1066581495 /nfs/dbraw/zinc/58/14/95/1066581495.db2.gz WEZGYUNEEQVTIK-UHFFFAOYSA-N 0 0 452.576 4.625 20 0 JJADRN Cc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c(C)c1 ZINC001361239850 1066581759 /nfs/dbraw/zinc/58/17/59/1066581759.db2.gz KOFSBDYNMVLGRZ-QFIPXVFZSA-N 0 0 476.625 4.569 20 0 JJADRN CCOc1ccccc1OCCCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001456423768 1066581931 /nfs/dbraw/zinc/58/19/31/1066581931.db2.gz BSDPEXQUHMFKLX-KRWDZBQOSA-N 0 0 452.473 4.538 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(N(C)CC(C)C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361240602 1066582202 /nfs/dbraw/zinc/58/22/02/1066582202.db2.gz VBTFQJKJQQUBAO-ONBPZOJHSA-N 0 0 470.658 4.887 20 0 JJADRN CC[S@@](=O)c1ccccc1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445527505 1066582548 /nfs/dbraw/zinc/58/25/48/1066582548.db2.gz CZSLTULLFZGLKL-AREMUKBSSA-N 0 0 452.761 4.872 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361240628 1066582737 /nfs/dbraw/zinc/58/27/37/1066582737.db2.gz VWPYUFOWWLPLHL-VXNXHJTFSA-N 0 0 470.658 4.900 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1 ZINC001456430725 1066583564 /nfs/dbraw/zinc/58/35/64/1066583564.db2.gz MNZXTQGNJSCXFP-XMMPIXPASA-N 0 0 459.608 4.876 20 0 JJADRN Cc1cc(C(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc(S(N)(=O)=O)c1C ZINC001445531689 1066583584 /nfs/dbraw/zinc/58/35/84/1066583584.db2.gz YUPNWJLXTIPQMV-JOCHJYFZSA-N 0 0 454.979 4.544 20 0 JJADRN Cc1cc(C(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc(S(N)(=O)=O)c1C ZINC001445531691 1066583635 /nfs/dbraw/zinc/58/36/35/1066583635.db2.gz YUPNWJLXTIPQMV-QFIPXVFZSA-N 0 0 454.979 4.544 20 0 JJADRN Cc1ccc(CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c(C)c1 ZINC001361241911 1066583755 /nfs/dbraw/zinc/58/37/55/1066583755.db2.gz UDYIEBGOQSRJFM-QHCPKHFHSA-N 0 0 450.549 4.935 20 0 JJADRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC001445531841 1066583835 /nfs/dbraw/zinc/58/38/35/1066583835.db2.gz IXTHNPZRYVCLMI-IFXJQAMLSA-N 0 0 456.327 4.713 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(C(=O)c1ccc(Cl)c3ncccc13)CCO2 ZINC001456432992 1066583871 /nfs/dbraw/zinc/58/38/71/1066583871.db2.gz BOJFQLAMWQKOJG-UHFFFAOYSA-N 0 0 459.974 4.567 20 0 JJADRN Cc1ccc(CCn2c(-c3cccnc3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361241966 1066584044 /nfs/dbraw/zinc/58/40/44/1066584044.db2.gz WPONISIQNYFRMF-UHFFFAOYSA-N 0 0 490.652 4.941 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H]2CCCOC2)cc1 ZINC001361242582 1066584067 /nfs/dbraw/zinc/58/40/67/1066584067.db2.gz AUYKTIRMGUMPNH-BJKOFHAPSA-N 0 0 497.684 4.807 20 0 JJADRN O=C(Cc1nnc(-c2ccccc2)o1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445533416 1066584159 /nfs/dbraw/zinc/58/41/59/1066584159.db2.gz LCHWVGZJELWTKW-UHFFFAOYSA-N 0 0 458.703 4.724 20 0 JJADRN Cc1[nH]nc(Br)c1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445538740 1066584757 /nfs/dbraw/zinc/58/47/57/1066584757.db2.gz RCAPTOCCKNOUIV-UHFFFAOYSA-N 0 0 459.529 4.539 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccccn3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243244 1066585237 /nfs/dbraw/zinc/58/52/37/1066585237.db2.gz KVRZYFJSZDHPST-HSZRJFAPSA-N 0 0 490.652 4.508 20 0 JJADRN O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc(Br)ccc1Br ZINC001445538746 1066585381 /nfs/dbraw/zinc/58/53/81/1066585381.db2.gz GXOSCZKKAUTGKS-CQSZACIVSA-N 0 0 455.171 4.890 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001445540100 1066585390 /nfs/dbraw/zinc/58/53/90/1066585390.db2.gz LWRZEZUNNZVMCO-UKILVPOCSA-N 0 0 459.546 4.604 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccnn2CC(F)(F)F)c2ccccc2Cl)c(OC)c1 ZINC001361244339 1066585988 /nfs/dbraw/zinc/58/59/88/1066585988.db2.gz JEGNAXMYAOYRET-IBGZPJMESA-N 0 0 453.848 4.635 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)C1 ZINC001445545537 1066586239 /nfs/dbraw/zinc/58/62/39/1066586239.db2.gz UBBSTVLTRLTZCM-HBMCJLEFSA-N 0 0 458.624 4.894 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC001445544758 1066586329 /nfs/dbraw/zinc/58/63/29/1066586329.db2.gz TZZBMXYUBXAOJP-ZCYQVOJMSA-N 0 0 451.950 4.884 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 ZINC001445545544 1066586343 /nfs/dbraw/zinc/58/63/43/1066586343.db2.gz UBBSTVLTRLTZCM-PWRODBHTSA-N 0 0 458.624 4.894 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N(Cc2cncs2)Cc2cncs2)s1 ZINC001456439152 1066586458 /nfs/dbraw/zinc/58/64/58/1066586458.db2.gz QMQWCNYDSYKEPW-UHFFFAOYSA-N 0 0 450.611 4.875 20 0 JJADRN CSc1ccc(/C=C/C(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001456439188 1066586499 /nfs/dbraw/zinc/58/64/99/1066586499.db2.gz RGKSYZNAWLRFEZ-BVBGJJFLSA-N 0 0 452.642 4.500 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001361244352 1066586570 /nfs/dbraw/zinc/58/65/70/1066586570.db2.gz JLCBYOKOGDVTFT-HNNXBMFYSA-N 0 0 452.308 4.628 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)CCCCC2)cc1OC ZINC001456440502 1066586917 /nfs/dbraw/zinc/58/69/17/1066586917.db2.gz DOKXMZQORFSLFV-GCJKJVERSA-N 0 0 450.579 4.930 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)c(C)c1 ZINC001361245252 1066587085 /nfs/dbraw/zinc/58/70/85/1066587085.db2.gz IQVGLRAVCVRTFZ-HSZRJFAPSA-N 0 0 465.667 4.531 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)cc1 ZINC001445561668 1066587341 /nfs/dbraw/zinc/58/73/41/1066587341.db2.gz QXFYIUZVZDLOCG-UHFFFAOYSA-N 0 0 455.555 4.994 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOC[C@H]2c2ccco2)cc1)c1ccc(Br)cc1 ZINC001456440809 1066587388 /nfs/dbraw/zinc/58/73/88/1066587388.db2.gz ABVBHMSXWVWDJF-IBGZPJMESA-N 0 0 455.308 4.508 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC001445560214 1066587447 /nfs/dbraw/zinc/58/74/47/1066587447.db2.gz DLYMSSMSNBHISX-UHFFFAOYSA-N 0 0 457.111 4.670 20 0 JJADRN Nc1cc(I)ccc1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001445562751 1066587721 /nfs/dbraw/zinc/58/77/21/1066587721.db2.gz XMRIGSRTHIKMNU-UHFFFAOYSA-N 0 0 451.489 4.542 20 0 JJADRN COc1c(N)c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc(Cl)c1Br ZINC001445563686 1066587798 /nfs/dbraw/zinc/58/77/98/1066587798.db2.gz PXHGRISGBCPFGE-GFCCVEGCSA-N 0 0 452.780 4.785 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(F)cc4)ns3)cs2)cc1OC ZINC001456443350 1066587964 /nfs/dbraw/zinc/58/79/64/1066587964.db2.gz LHQJQKXVHIKEMQ-UHFFFAOYSA-N 0 0 456.524 4.666 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccncc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c(C)c1 ZINC001361245950 1066587834 /nfs/dbraw/zinc/58/78/34/1066587834.db2.gz WEQORKTWNRCNLU-UHFFFAOYSA-N 0 0 483.542 4.512 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)O[C@H](C)C2 ZINC001361245959 1066587933 /nfs/dbraw/zinc/58/79/33/1066587933.db2.gz JEYUUJVSTFYSCT-AYOZNOIRSA-N 0 0 453.482 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCc2ccc(C)cc2C)n1 ZINC001361246088 1066587966 /nfs/dbraw/zinc/58/79/66/1066587966.db2.gz XYRFLCBTXSWDSB-JOCHJYFZSA-N 0 0 490.574 4.547 20 0 JJADRN Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(C)cc1C ZINC001361246099 1066588394 /nfs/dbraw/zinc/58/83/94/1066588394.db2.gz YDIHNJIUIAUOBY-UHFFFAOYSA-N 0 0 463.607 4.667 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(F)cc2)s1 ZINC001361246753 1066588859 /nfs/dbraw/zinc/58/88/59/1066588859.db2.gz BJTRPXVHDHVZQQ-UHFFFAOYSA-N 0 0 480.569 4.540 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)Cn2cc(Br)cn2)ccc1Cl ZINC001456448128 1066588919 /nfs/dbraw/zinc/58/89/19/1066588919.db2.gz SNDHFSKLZVICEJ-UHFFFAOYSA-N 0 0 458.747 4.644 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2C)s1 ZINC001361246875 1066589020 /nfs/dbraw/zinc/58/90/20/1066589020.db2.gz GXCGUHFFZYPHDI-UHFFFAOYSA-N 0 0 464.570 4.622 20 0 JJADRN O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cncc(I)c1 ZINC001456447678 1066589077 /nfs/dbraw/zinc/58/90/77/1066589077.db2.gz MESGWBSLJPMFOI-UHFFFAOYSA-N 0 0 459.218 4.886 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@H](O)C2)s1 ZINC001361247227 1066589274 /nfs/dbraw/zinc/58/92/74/1066589274.db2.gz VAVXDTMEHAUNIZ-FPOVZHCZSA-N 0 0 467.639 4.705 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cccc(OCc2ccc(C)cc2)c1 ZINC001456448577 1066589369 /nfs/dbraw/zinc/58/93/69/1066589369.db2.gz PCHMKDDUHQQERR-UHFFFAOYSA-N 0 0 455.562 4.965 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001445575864 1066589507 /nfs/dbraw/zinc/58/95/07/1066589507.db2.gz MVEFPXOBXOJLCQ-FXAWDEMLSA-N 0 0 454.596 4.764 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC001445576325 1066589530 /nfs/dbraw/zinc/58/95/30/1066589530.db2.gz UGTOYJDBBAELLY-CQSZACIVSA-N 0 0 456.311 4.886 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 ZINC001361247504 1066589945 /nfs/dbraw/zinc/58/99/45/1066589945.db2.gz FNGZYOMHODYLIV-NRFANRHFSA-N 0 0 455.605 4.548 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001445581004 1066589999 /nfs/dbraw/zinc/58/99/99/1066589999.db2.gz BJSFIKHHTCBTKV-CPJSRVTESA-N 0 0 456.587 4.751 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1 ZINC001456451655 1066590626 /nfs/dbraw/zinc/59/06/26/1066590626.db2.gz KCGNXYPIICIKDL-UHFFFAOYSA-N 0 0 456.877 4.901 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC001361248066 1066590839 /nfs/dbraw/zinc/59/08/39/1066590839.db2.gz QGTKOEUUJCQPCG-CYBMUJFWSA-N 0 0 454.495 4.521 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc3sccc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247901 1066590875 /nfs/dbraw/zinc/59/08/75/1066590875.db2.gz NZJOGCBLEQIIPL-HSZRJFAPSA-N 0 0 451.569 4.833 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)n[nH]1 ZINC001445584942 1066590974 /nfs/dbraw/zinc/59/09/74/1066590974.db2.gz HTVNPYFINOYHDZ-AREMUKBSSA-N 0 0 456.546 4.986 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCSC2)s1 ZINC001361248133 1066591337 /nfs/dbraw/zinc/59/13/37/1066591337.db2.gz HGIJAFBNVPBFFW-DVECYGJZSA-N 0 0 472.680 4.909 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2)cn1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001456454238 1066591538 /nfs/dbraw/zinc/59/15/38/1066591538.db2.gz IJNJBPFHWQMPKR-KRWDZBQOSA-N 0 0 455.436 4.880 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccco3)c(=O)oc2c1 ZINC001445586464 1066591688 /nfs/dbraw/zinc/59/16/88/1066591688.db2.gz RNFSPEKWUGBDQY-HXUWFJFHSA-N 0 0 450.535 4.890 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1csc(-c2ccco2)n1 ZINC001445586436 1066591747 /nfs/dbraw/zinc/59/17/47/1066591747.db2.gz VLDKBZXRAMUBLZ-UHFFFAOYSA-N 0 0 457.353 4.898 20 0 JJADRN CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001456460868 1066591822 /nfs/dbraw/zinc/59/18/22/1066591822.db2.gz IBTSNKHAIHVLPC-QGZVFWFLSA-N 0 0 459.384 4.899 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001456463888 1066592239 /nfs/dbraw/zinc/59/22/39/1066592239.db2.gz KSUNPBFKZMPFFP-MHZLTWQESA-N 0 0 450.771 4.559 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1 ZINC001445588903 1066592770 /nfs/dbraw/zinc/59/27/70/1066592770.db2.gz QCCSWJYEBJAGQP-LJQANCHMSA-N 0 0 452.580 4.570 20 0 JJADRN COc1cc(NC2CCN(C(=O)c3c(F)ccc(C)c3Br)CC2)cc(OC)c1 ZINC001445589539 1066592785 /nfs/dbraw/zinc/59/27/85/1066592785.db2.gz YUFUAACCZPSCPX-UHFFFAOYSA-N 0 0 451.336 4.631 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361249029 1066592798 /nfs/dbraw/zinc/59/27/98/1066592798.db2.gz YBUJJASCWZIAGY-QHCPKHFHSA-N 0 0 494.514 4.803 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2noc(-c3ccc(F)cc3)n2)CCC1 ZINC001456466858 1066592801 /nfs/dbraw/zinc/59/28/01/1066592801.db2.gz PCXWWTLCGIYPHE-GOSISDBHSA-N 0 0 458.534 4.565 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001456466993 1066592819 /nfs/dbraw/zinc/59/28/19/1066592819.db2.gz RQDFCTGSHFBARL-WJOKGBTCSA-N 0 0 452.454 4.508 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2)n1 ZINC001361249348 1066593294 /nfs/dbraw/zinc/59/32/94/1066593294.db2.gz LELXNJKRBYQDBI-UHFFFAOYSA-N 0 0 454.621 4.829 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC001456471036 1066593634 /nfs/dbraw/zinc/59/36/34/1066593634.db2.gz UBHYWDSQDJZSAO-YDIMBITNSA-N 0 0 450.608 4.860 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001445598767 1066593630 /nfs/dbraw/zinc/59/36/30/1066593630.db2.gz UWIMHSGZZRITMZ-FQEVSTJZSA-N 0 0 452.039 4.560 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@](=O)C(C)(C)C)s1 ZINC001361249703 1066593707 /nfs/dbraw/zinc/59/37/07/1066593707.db2.gz BQSGYBGQVORIRN-XIFFEERXSA-N 0 0 482.679 4.889 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001456471301 1066593706 /nfs/dbraw/zinc/59/37/06/1066593706.db2.gz UULLERNSPFXSIJ-DRSNIGMVSA-N 0 0 456.612 4.682 20 0 JJADRN CO[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccccc1Cl ZINC001445599801 1066593752 /nfs/dbraw/zinc/59/37/52/1066593752.db2.gz WIUYVZOBEXGICY-MOPGFXCFSA-N 0 0 454.901 4.688 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@H](C)C2)s1 ZINC001361249810 1066594069 /nfs/dbraw/zinc/59/40/69/1066594069.db2.gz GNWKTTFLBSFSIJ-AEFFLSMTSA-N 0 0 458.653 4.791 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)N(C)C)o1 ZINC001361249783 1066594142 /nfs/dbraw/zinc/59/41/42/1066594142.db2.gz FQVDBNVIYDPOCN-UHFFFAOYSA-N 0 0 457.987 4.829 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCO[C@H](C)C2)o1 ZINC001361249761 1066594219 /nfs/dbraw/zinc/59/42/19/1066594219.db2.gz DPZFEBKGNYAMOU-HZPDHXFCSA-N 0 0 462.392 4.779 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2cnc(C)s2)s1 ZINC001361249873 1066594448 /nfs/dbraw/zinc/59/44/48/1066594448.db2.gz IKWGBVWTNOULTH-UHFFFAOYSA-N 0 0 477.457 4.866 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)c1cccc(NCc2cncs2)c1 ZINC001456479936 1066594656 /nfs/dbraw/zinc/59/46/56/1066594656.db2.gz PKNILRUCLLUCOB-KOSHJBKYSA-N 0 0 456.612 4.665 20 0 JJADRN CC(C)(NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1cn(-c2ccccc2)nn1 ZINC001445609102 1066594726 /nfs/dbraw/zinc/59/47/26/1066594726.db2.gz CLDDGKXMWLKFQR-UHFFFAOYSA-N 0 0 458.747 4.830 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2cc(-c3ccc(C=O)o3)ccc2O)cc1 ZINC001445607235 1066594753 /nfs/dbraw/zinc/59/47/53/1066594753.db2.gz QBYKJAROQFSNFP-UHFFFAOYSA-N 0 0 450.491 4.784 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCc2ccsc2)o1 ZINC001361249923 1066595246 /nfs/dbraw/zinc/59/52/46/1066595246.db2.gz KLKVHPKXGGYYBY-UHFFFAOYSA-N 0 0 460.401 4.888 20 0 JJADRN CC(C)c1ccc(N(C)C(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC001445610378 1066595310 /nfs/dbraw/zinc/59/53/10/1066595310.db2.gz WJXQYFMERJNKBU-INIZCTEOSA-N 0 0 459.384 4.703 20 0 JJADRN COc1cc(NC(=O)c2sc3cc(C)c(C)cc3c2C)ccc1S(=O)(=O)N1CCCC1 ZINC001456482975 1066595248 /nfs/dbraw/zinc/59/52/48/1066595248.db2.gz BRCIADQAVNHUMP-UHFFFAOYSA-N 0 0 458.605 4.872 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1cc(-c2ccccc2)ns1 ZINC001456483058 1066595385 /nfs/dbraw/zinc/59/53/85/1066595385.db2.gz CAZBXKGUSVEBHW-UHFFFAOYSA-N 0 0 450.301 4.822 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545977098 1066595444 /nfs/dbraw/zinc/59/54/44/1066595444.db2.gz FDQMYNKXRXPKIH-IRLDBZIGSA-N 0 0 477.613 4.688 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](NC(=O)c4ccc(Cl)cc4)C3)cc2)s1 ZINC001456483799 1066595767 /nfs/dbraw/zinc/59/57/67/1066595767.db2.gz DSXXRAWMTFGCLW-HXUWFJFHSA-N 0 0 452.963 4.916 20 0 JJADRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001445623328 1066595957 /nfs/dbraw/zinc/59/59/57/1066595957.db2.gz CRQCTKRZDADSNV-UHFFFAOYSA-N 0 0 458.266 4.615 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2 ZINC001445633692 1066596392 /nfs/dbraw/zinc/59/63/92/1066596392.db2.gz VBRHRMINTOOVGZ-CRAIPNDOSA-N 0 0 458.628 4.968 20 0 JJADRN Cc1c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001445638418 1066596939 /nfs/dbraw/zinc/59/69/39/1066596939.db2.gz RGGWMUGKEOIQGI-UHFFFAOYSA-N 0 0 455.599 4.549 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCCCCCO)o1 ZINC001361250565 1066597255 /nfs/dbraw/zinc/59/72/55/1066597255.db2.gz ZQADKHVGOBPBSH-UHFFFAOYSA-N 0 0 453.406 4.860 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ncccc1NCC1CCC1 ZINC001445639380 1066597329 /nfs/dbraw/zinc/59/73/29/1066597329.db2.gz UPCBVMXYGRKPHO-UHFFFAOYSA-N 0 0 454.328 4.891 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CS(C)(=O)=O)CC2)o1 ZINC001361250832 1066597725 /nfs/dbraw/zinc/59/77/25/1066597725.db2.gz BODGDHZYEPAQDD-UHFFFAOYSA-N 0 0 483.421 4.615 20 0 JJADRN CCc1c(Br)cc(C(=O)N(C)Cc2ccc(OC)c(O)c2)cc1Br ZINC001445642385 1066597988 /nfs/dbraw/zinc/59/79/88/1066597988.db2.gz AEPCFYBDHHLZNG-UHFFFAOYSA-N 0 0 457.162 4.760 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)c1cccc(NCc2ccccn2)c1 ZINC001456491077 1066598081 /nfs/dbraw/zinc/59/80/81/1066598081.db2.gz ZMJKTPDKYQKOPW-RXFWQSSRSA-N 0 0 450.583 4.603 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C(C)(C)C)s2)o1 ZINC001361251105 1066598208 /nfs/dbraw/zinc/59/82/08/1066598208.db2.gz HXIQFXGGKBWLGP-UHFFFAOYSA-N 0 0 457.991 4.729 20 0 JJADRN CC[C@H](Cn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1)C(C)C)NC(=O)OC(C)(C)C ZINC001545977410 1066598307 /nfs/dbraw/zinc/59/83/07/1066598307.db2.gz LCVSDTJKDQXKPM-HXUWFJFHSA-N 0 0 483.592 4.593 20 0 JJADRN C[C@]1(Br)C[C@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456492607 1066598341 /nfs/dbraw/zinc/59/83/41/1066598341.db2.gz MQNJSMJWHUKXRU-LPHOPBHVSA-N 0 0 455.274 4.747 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)c2)cc1 ZINC001445651703 1066598504 /nfs/dbraw/zinc/59/85/04/1066598504.db2.gz SMLZZOLJRCUWSW-UHFFFAOYSA-N 0 0 450.560 4.554 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2CC[C@@H](C(F)F)N2CCOCC2)s1 ZINC001361251388 1066598848 /nfs/dbraw/zinc/59/88/48/1066598848.db2.gz QBQUBVQRYWXCRE-FQEVSTJZSA-N 0 0 496.027 4.961 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCCOC[C@H]2CCOC2)o1 ZINC001361251501 1066599058 /nfs/dbraw/zinc/59/90/58/1066599058.db2.gz VBRKKGVNBZATIH-GOSISDBHSA-N 0 0 489.414 4.689 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001456494200 1066599107 /nfs/dbraw/zinc/59/91/07/1066599107.db2.gz MIDWBPCDWBYAJH-LEWJYISDSA-N 0 0 458.628 4.797 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)Nc2c(C)cccc2C)o1 ZINC001361251413 1066599084 /nfs/dbraw/zinc/59/90/84/1066599084.db2.gz QZWUBMUPWKFCST-UHFFFAOYSA-N 0 0 464.957 4.787 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2cnn(C)n2)o1 ZINC001361251617 1066599338 /nfs/dbraw/zinc/59/93/38/1066599338.db2.gz ZAGZFJFYNOJXDY-UHFFFAOYSA-N 0 0 460.369 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)cc21 ZINC001445665403 1066599418 /nfs/dbraw/zinc/59/94/18/1066599418.db2.gz CKDMNHLEZNVERP-IBGZPJMESA-N 0 0 451.350 4.754 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC001445664804 1066599531 /nfs/dbraw/zinc/59/95/31/1066599531.db2.gz AJYXSLSFHRRHGZ-SFHVURJKSA-N 0 0 451.375 4.826 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)s2)cc1 ZINC001456496032 1066599503 /nfs/dbraw/zinc/59/95/03/1066599503.db2.gz BKLXTTDPORJZOZ-CABCVRRESA-N 0 0 458.605 4.512 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1OC ZINC001456495482 1066599516 /nfs/dbraw/zinc/59/95/16/1066599516.db2.gz SDJRCGHYRLGRGR-OAHLLOKOSA-N 0 0 453.926 4.886 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001456495762 1066599566 /nfs/dbraw/zinc/59/95/66/1066599566.db2.gz TZNLMMZYZDYTTQ-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)COc2ccc3ccccc3c2Br)c1 ZINC001445672397 1066599744 /nfs/dbraw/zinc/59/97/44/1066599744.db2.gz QCOFLXYRERXGPT-HXUWFJFHSA-N 0 0 458.352 4.618 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c3c2CCC3)c(C)c1 ZINC001456496253 1066599823 /nfs/dbraw/zinc/59/98/23/1066599823.db2.gz UYPCUKQRMDDRBB-AREMUKBSSA-N 0 0 454.615 4.647 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977841 1066599911 /nfs/dbraw/zinc/59/99/11/1066599911.db2.gz SASVETXIGPQMKY-PZJWPPBQSA-N 0 0 479.629 4.670 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1OC ZINC001361252021 1066599939 /nfs/dbraw/zinc/59/99/39/1066599939.db2.gz CEGJCWSMGOKMJC-OAHLLOKOSA-N 0 0 457.368 4.833 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977840 1066599974 /nfs/dbraw/zinc/59/99/74/1066599974.db2.gz SASVETXIGPQMKY-FPOVZHCZSA-N 0 0 479.629 4.670 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccnc3OCC(F)(F)F)s2)cc1 ZINC001456497237 1066600316 /nfs/dbraw/zinc/60/03/16/1066600316.db2.gz DJNYXIPCJCNMAK-GFCCVEGCSA-N 0 0 451.470 4.954 20 0 JJADRN COC(=O)Nc1cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC001445674786 1066600534 /nfs/dbraw/zinc/60/05/34/1066600534.db2.gz UURCEJKXHWLPTQ-OAHLLOKOSA-N 0 0 451.228 4.654 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1OC ZINC001361252721 1066600519 /nfs/dbraw/zinc/60/05/19/1066600519.db2.gz KJJJBVWJTIKVAJ-DYESRHJHSA-N 0 0 454.567 4.633 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1C(F)(F)F ZINC001361253011 1066601071 /nfs/dbraw/zinc/60/10/71/1066601071.db2.gz NBGMOGLKQNDYIN-OLZOCXBDSA-N 0 0 455.274 4.698 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC[C@@H](O)c2ccsc2)c(OC)c1 ZINC001445679325 1066601139 /nfs/dbraw/zinc/60/11/39/1066601139.db2.gz OBVCVGYUYLCJMU-JOCHJYFZSA-N 0 0 450.560 4.696 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001445679241 1066601158 /nfs/dbraw/zinc/60/11/58/1066601158.db2.gz NFWWMOPUQAHYSY-LKFCYVNXSA-N 0 0 451.119 4.512 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)s2)cc1 ZINC001456499531 1066601564 /nfs/dbraw/zinc/60/15/64/1066601564.db2.gz CXAMJHMHICGVBZ-OAHLLOKOSA-N 0 0 458.381 4.590 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001445679645 1066601882 /nfs/dbraw/zinc/60/18/82/1066601882.db2.gz CCXMSITUDCDFTA-HXUWFJFHSA-N 0 0 455.006 4.605 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@]3(C)Cc4ccc(C)cc4C(=O)O3)s2)cc1 ZINC001456501074 1066602278 /nfs/dbraw/zinc/60/22/78/1066602278.db2.gz RAXHIVBRZNCEJN-IVCQMTBJSA-N 0 0 450.560 4.785 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC001361254783 1066602540 /nfs/dbraw/zinc/60/25/40/1066602540.db2.gz NQTNRMMKEFKRRX-UHFFFAOYSA-N 0 0 488.543 4.657 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)s1 ZINC001361254312 1066602558 /nfs/dbraw/zinc/60/25/58/1066602558.db2.gz ITPIHMUWOBUIRV-MRXNPFEDSA-N 0 0 481.956 4.539 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)cs2)cc1 ZINC001456502518 1066602824 /nfs/dbraw/zinc/60/28/24/1066602824.db2.gz LMFODSLPLBYVLK-KRWDZBQOSA-N 0 0 456.409 4.814 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)cs2)cc1 ZINC001456502524 1066602835 /nfs/dbraw/zinc/60/28/35/1066602835.db2.gz LMFODSLPLBYVLK-QGZVFWFLSA-N 0 0 456.409 4.814 20 0 JJADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001445684335 1066603078 /nfs/dbraw/zinc/60/30/78/1066603078.db2.gz DDEXIFNZSLWRQD-JOCHJYFZSA-N 0 0 450.897 4.665 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc(OC)c2OC(F)F)CC1 ZINC001445688427 1066603663 /nfs/dbraw/zinc/60/36/63/1066603663.db2.gz SRWZCWXDVOYNNO-UHFFFAOYSA-N 0 0 452.523 4.515 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@@H]2C)o1 ZINC001361255425 1066603751 /nfs/dbraw/zinc/60/37/51/1066603751.db2.gz LKPZBBYNTBYZOB-CEWLAPEOSA-N 0 0 487.645 4.603 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)s2)o1 ZINC001361255688 1066603824 /nfs/dbraw/zinc/60/38/24/1066603824.db2.gz NQQGTWKCUOMDDT-HNNXBMFYSA-N 0 0 465.417 4.777 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)[C@@H](C)CO1 ZINC001456503484 1066603673 /nfs/dbraw/zinc/60/36/73/1066603673.db2.gz IRSUGBLOEGPZCW-XUZZJYLKSA-N 0 0 450.579 4.770 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC001456503033 1066603825 /nfs/dbraw/zinc/60/38/25/1066603825.db2.gz BLRILYQYJLLDBM-UHFFFAOYSA-N 0 0 450.398 4.579 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)[nH]n1 ZINC001445688176 1066603766 /nfs/dbraw/zinc/60/37/66/1066603766.db2.gz NPSQUQDTGWTLDE-RUZDIDTESA-N 0 0 457.530 4.518 20 0 JJADRN COc1ccc(C[C@@H](CO)CNC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1O ZINC001445688142 1066603840 /nfs/dbraw/zinc/60/38/40/1066603840.db2.gz ISRKZJROBKKKKR-QGZVFWFLSA-N 0 0 451.588 4.544 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC001445686746 1066603891 /nfs/dbraw/zinc/60/38/91/1066603891.db2.gz POTLXQOGQCZEMD-HNNXBMFYSA-N 0 0 452.979 4.851 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)o1 ZINC001361255900 1066604261 /nfs/dbraw/zinc/60/42/61/1066604261.db2.gz SDXNDIXZSBRVFZ-PKOBYXMFSA-N 0 0 452.452 4.941 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001445689291 1066604436 /nfs/dbraw/zinc/60/44/36/1066604436.db2.gz PKTPQRPRAFYOTG-VWNXMTODSA-N 0 0 451.469 4.525 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3cc4cc(Br)ccc4[nH]3)C2)cc(OC)c1 ZINC001445692372 1066605013 /nfs/dbraw/zinc/60/50/13/1066605013.db2.gz RBTJJDJTADQHNX-MRXNPFEDSA-N 0 0 458.356 4.664 20 0 JJADRN CC[C@](O)(CCC(F)(F)F)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001456508040 1066605695 /nfs/dbraw/zinc/60/56/95/1066605695.db2.gz KXAPKJNSQPOSAJ-KRWDZBQOSA-N 0 0 452.260 4.789 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)cc2c1Br ZINC001456508136 1066605714 /nfs/dbraw/zinc/60/57/14/1066605714.db2.gz BQGZRHBUBCWLPP-LLVKDONJSA-N 0 0 453.262 4.677 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001456510103 1066606372 /nfs/dbraw/zinc/60/63/72/1066606372.db2.gz CXAQVEJJZQMFBF-NLFFAJNJSA-N 0 0 451.588 4.688 20 0 JJADRN COc1cc(/C=C/C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc(Br)c1O ZINC001456510768 1066606388 /nfs/dbraw/zinc/60/63/88/1066606388.db2.gz MXNDQWSLNASTBK-NDEDVSTASA-N 0 0 456.336 4.644 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N(Cc1cccc(F)c1)C(C)C)NC(=O)OC(C)(C)C ZINC001545978055 1066606389 /nfs/dbraw/zinc/60/63/89/1066606389.db2.gz WXDKVIWIUCVRMQ-FQEVSTJZSA-N 0 0 483.592 4.593 20 0 JJADRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(C2CCOCC2)cc1 ZINC001445703953 1066606965 /nfs/dbraw/zinc/60/69/65/1066606965.db2.gz ASVKPIVHUQFFEH-SFHVURJKSA-N 0 0 453.892 4.657 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001456511142 1066606993 /nfs/dbraw/zinc/60/69/93/1066606993.db2.gz FVPJJVZWSBUALU-HKUYNNGSSA-N 0 0 453.421 4.890 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(C2CCOCC2)cc1 ZINC001445703949 1066607029 /nfs/dbraw/zinc/60/70/29/1066607029.db2.gz ASVKPIVHUQFFEH-GOSISDBHSA-N 0 0 453.892 4.657 20 0 JJADRN C/C=C/COc1cccc(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445705594 1066607448 /nfs/dbraw/zinc/60/74/48/1066607448.db2.gz CLDUOERHDIULOT-RCAFFNEUSA-N 0 0 453.892 4.646 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Cc2ccccc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456513253 1066607461 /nfs/dbraw/zinc/60/74/61/1066607461.db2.gz IAKVDCBHSUPHEU-KBMIEXCESA-N 0 0 453.579 4.930 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCSCC(F)(F)F)CCO1 ZINC001546082955 1066607527 /nfs/dbraw/zinc/60/75/27/1066607527.db2.gz GTJGRPHOMWZWNC-QRWLVFNGSA-N 0 0 476.540 4.858 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001445705552 1066607669 /nfs/dbraw/zinc/60/76/69/1066607669.db2.gz HUTIDOVMXLFVKE-AWEZNQCLSA-N 0 0 457.857 4.808 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)cc1 ZINC001445705065 1066607683 /nfs/dbraw/zinc/60/76/83/1066607683.db2.gz TVIZPECTPBOPGE-AOMKIAJQSA-N 0 0 458.990 4.658 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2CCCc2ccnc(C(C)(C)C)n2)s1 ZINC001361258574 1066608504 /nfs/dbraw/zinc/60/85/04/1066608504.db2.gz XPETZEFTKJVFOS-UHFFFAOYSA-N 0 0 475.666 4.991 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001456513682 1066608529 /nfs/dbraw/zinc/60/85/29/1066608529.db2.gz IJBQHEONZVGFBZ-UWJYYQICSA-N 0 0 457.546 4.613 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)OC)cc1 ZINC001445709186 1066608627 /nfs/dbraw/zinc/60/86/27/1066608627.db2.gz ZZTWLMJRXLWSNG-DLBZAZTESA-N 0 0 457.596 4.705 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361258719 1066609051 /nfs/dbraw/zinc/60/90/51/1066609051.db2.gz BFRBDIXYTUCLEG-SFHVURJKSA-N 0 0 451.958 4.923 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361258757 1066609082 /nfs/dbraw/zinc/60/90/82/1066609082.db2.gz CVAXDQDRIIBWMO-SANMLTNESA-N 0 0 464.566 4.555 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361258756 1066609129 /nfs/dbraw/zinc/60/91/29/1066609129.db2.gz CVAXDQDRIIBWMO-AREMUKBSSA-N 0 0 464.566 4.555 20 0 JJADRN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 ZINC001456516570 1066609111 /nfs/dbraw/zinc/60/91/11/1066609111.db2.gz FMRLKHUXDGODLJ-FQEVSTJZSA-N 0 0 450.564 4.973 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)c12 ZINC001445713191 1066609290 /nfs/dbraw/zinc/60/92/90/1066609290.db2.gz QVLFRYBWWQTWSS-INIZCTEOSA-N 0 0 455.006 4.675 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCc2nccc(C(F)(F)F)n2)s1 ZINC001361258983 1066609699 /nfs/dbraw/zinc/60/96/99/1066609699.db2.gz LRSZWDJRGOGQRN-UHFFFAOYSA-N 0 0 478.569 4.988 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c[nH]c4ccccc34)n2CC(F)(F)Br)o1 ZINC001361258995 1066609789 /nfs/dbraw/zinc/60/97/89/1066609789.db2.gz LXSAXHJASISQDN-UHFFFAOYSA-N 0 0 464.314 4.876 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)CC1 ZINC001456516703 1066609821 /nfs/dbraw/zinc/60/98/21/1066609821.db2.gz KGISGIMOSMPVNR-HSZRJFAPSA-N 0 0 452.570 4.941 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456517466 1066609862 /nfs/dbraw/zinc/60/98/62/1066609862.db2.gz OQWTUBJQYKIEEX-UHFFFAOYSA-N 0 0 450.720 4.626 20 0 JJADRN O=C(NCc1ccc(Br)cc1N1CCOCC1)c1cccc(OC2CCCC2)c1 ZINC001445717157 1066609861 /nfs/dbraw/zinc/60/98/61/1066609861.db2.gz CYUBVIFGHHZQCX-UHFFFAOYSA-N 0 0 459.384 4.537 20 0 JJADRN O=C(Nc1ccc(O)cc1)c1ccccc1NC(=O)c1ccccc1I ZINC001445716085 1066609969 /nfs/dbraw/zinc/60/99/69/1066609969.db2.gz LZFGHTPOYUKGKZ-UHFFFAOYSA-N 0 0 458.255 4.501 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC001361259765 1066610324 /nfs/dbraw/zinc/61/03/24/1066610324.db2.gz BQCFAZIUBRNENA-DEOSSOPVSA-N 0 0 459.583 4.971 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718789 1066610386 /nfs/dbraw/zinc/61/03/86/1066610386.db2.gz JSGVDSHVOXOIQK-MRXNPFEDSA-N 0 0 454.571 4.727 20 0 JJADRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718671 1066610503 /nfs/dbraw/zinc/61/05/03/1066610503.db2.gz HGIHTOLJZUQGHK-JTSKRJEESA-N 0 0 456.558 4.928 20 0 JJADRN COc1ccc(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1 ZINC001456519611 1066611023 /nfs/dbraw/zinc/61/10/23/1066611023.db2.gz UJDZFBICGUIRDZ-UHFFFAOYSA-N 0 0 452.595 4.713 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456519814 1066611078 /nfs/dbraw/zinc/61/10/78/1066611078.db2.gz OTHCNPJSWFULRL-JBRSBNLGSA-N 0 0 469.553 4.994 20 0 JJADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001456519873 1066611181 /nfs/dbraw/zinc/61/11/81/1066611181.db2.gz SYKDCKUIGVNTOZ-INIZCTEOSA-N 0 0 450.988 4.772 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2CC2=CCCOC2)s1 ZINC001361261102 1066611703 /nfs/dbraw/zinc/61/17/03/1066611703.db2.gz HLWGAZVYCBQYSD-UHFFFAOYSA-N 0 0 489.439 4.973 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC001445729078 1066611724 /nfs/dbraw/zinc/61/17/24/1066611724.db2.gz ZBXXTJKIXGGNEA-IXCJQBJRSA-N 0 0 454.570 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445726727 1066611755 /nfs/dbraw/zinc/61/17/55/1066611755.db2.gz WHEXDBCVYCRGJQ-HCUBDLJJSA-N 0 0 452.595 4.805 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)COCCO2)o1 ZINC001361261190 1066612332 /nfs/dbraw/zinc/61/23/32/1066612332.db2.gz KBZLCTNMBWLOLP-QFIPXVFZSA-N 0 0 481.380 4.507 20 0 JJADRN Cc1cc(CCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1Br ZINC001456523521 1066612330 /nfs/dbraw/zinc/61/23/30/1066612330.db2.gz RIMGQDYGYZUZOQ-MJGOQNOKSA-N 0 0 453.421 4.890 20 0 JJADRN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001445729317 1066612525 /nfs/dbraw/zinc/61/25/25/1066612525.db2.gz FEJTXNZVDNXMTP-NRFANRHFSA-N 0 0 454.299 4.549 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445734019 1066612585 /nfs/dbraw/zinc/61/25/85/1066612585.db2.gz CLDLBOZITBXMEQ-QWHCGFSZSA-N 0 0 450.284 4.747 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NC2CCCCC2)s1 ZINC001361261365 1066612778 /nfs/dbraw/zinc/61/27/78/1066612778.db2.gz QTDDGPNRLQPTAI-UHFFFAOYSA-N 0 0 481.666 4.929 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCSC2)o1 ZINC001361261369 1066612798 /nfs/dbraw/zinc/61/27/98/1066612798.db2.gz QUXBIFCUIPRXCJ-RUZDIDTESA-N 0 0 470.639 4.560 20 0 JJADRN C[C@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC001445738364 1066612994 /nfs/dbraw/zinc/61/29/94/1066612994.db2.gz TZUBUTLODVIRMI-ITEAAPOESA-N 0 0 458.327 4.947 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC[C@H](CO)O2)s1 ZINC001361261290 1066612961 /nfs/dbraw/zinc/61/29/61/1066612961.db2.gz OCVGKNNQPSHUOI-DLBZAZTESA-N 0 0 497.448 4.710 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2csc(Br)c2)c(C)c1 ZINC001361261462 1066613611 /nfs/dbraw/zinc/61/36/11/1066613611.db2.gz BNKIGMPLWUYOBU-UHFFFAOYSA-N 0 0 476.444 4.542 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC(F)(F)C2)s1 ZINC001361261396 1066613662 /nfs/dbraw/zinc/61/36/62/1066613662.db2.gz RHIGRKQBNIATEY-QGZVFWFLSA-N 0 0 451.587 4.622 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2Cl)c1 ZINC001456528837 1066614149 /nfs/dbraw/zinc/61/41/49/1066614149.db2.gz ZIWIYLRYKCRJGH-HSZRJFAPSA-N 0 0 450.901 4.896 20 0 JJADRN O=C(c1cccc(CNc2ccncn2)c1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456530219 1066614202 /nfs/dbraw/zinc/61/42/02/1066614202.db2.gz NVGGLQANLHXIQC-OAQYLSRUSA-N 0 0 451.368 4.699 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)(C)c1cccc(C(F)(F)F)n1 ZINC001456528460 1066614297 /nfs/dbraw/zinc/61/42/97/1066614297.db2.gz MSRLGASULDWQBN-UHFFFAOYSA-N 0 0 450.461 4.817 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2Cl)c1 ZINC001456528840 1066614310 /nfs/dbraw/zinc/61/43/10/1066614310.db2.gz ZIWIYLRYKCRJGH-QHCPKHFHSA-N 0 0 450.901 4.896 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)Nc1ccc(C(F)F)cc1 ZINC001456532249 1066615014 /nfs/dbraw/zinc/61/50/14/1066615014.db2.gz HLLFFAYPFDCYQF-QGZVFWFLSA-N 0 0 454.315 4.993 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(F)c2)s1 ZINC001361261920 1066614928 /nfs/dbraw/zinc/61/49/28/1066614928.db2.gz LKOSTVZECVKXGM-UHFFFAOYSA-N 0 0 485.560 4.913 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(CC(C)(C)C)n2CCNC(=O)C(C)C)s1 ZINC001361261871 1066615001 /nfs/dbraw/zinc/61/50/01/1066615001.db2.gz KUXBFSSWFQSAFS-UHFFFAOYSA-N 0 0 457.644 4.809 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)cn2)cc1 ZINC001456532189 1066615035 /nfs/dbraw/zinc/61/50/35/1066615035.db2.gz ADFXTLWKDXOCQL-UHFFFAOYSA-N 0 0 455.396 4.734 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)o1 ZINC001361262211 1066615444 /nfs/dbraw/zinc/61/54/44/1066615444.db2.gz WQBQWILKFOCACC-AQNXPRMDSA-N 0 0 455.603 4.943 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3cccnc3)n2CCC(C)(C)O)s1 ZINC001361262053 1066615466 /nfs/dbraw/zinc/61/54/66/1066615466.db2.gz PRBNZVSFWOMFFT-UHFFFAOYSA-N 0 0 451.596 4.595 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCCCC2)s1 ZINC001361262184 1066615473 /nfs/dbraw/zinc/61/54/73/1066615473.db2.gz VFSRZRRQWQTUPW-SFHVURJKSA-N 0 0 491.683 4.638 20 0 JJADRN CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001445778280 1066615910 /nfs/dbraw/zinc/61/59/10/1066615910.db2.gz CJCTTZMIVORBQN-HSZRJFAPSA-N 0 0 451.567 4.826 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)C1 ZINC001445779525 1066615928 /nfs/dbraw/zinc/61/59/28/1066615928.db2.gz FUWSKBRUBMQMLC-OXJNMPFZSA-N 0 0 459.587 4.958 20 0 JJADRN COC[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C ZINC001456535321 1066616166 /nfs/dbraw/zinc/61/61/66/1066616166.db2.gz JMLGQPQTJCCQAW-KRWDZBQOSA-N 0 0 459.443 4.787 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)n1C ZINC001456534330 1066616232 /nfs/dbraw/zinc/61/62/32/1066616232.db2.gz GMGBREVBFKMDRU-UHFFFAOYSA-N 0 0 455.287 4.803 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001456534480 1066616247 /nfs/dbraw/zinc/61/62/47/1066616247.db2.gz PNFWUAKXMTULRQ-BGVYSJOJSA-N 0 0 452.601 4.545 20 0 JJADRN Cc1ccc(CNC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(OC[C@H]2CCCO2)c1 ZINC001445784566 1066616599 /nfs/dbraw/zinc/61/65/99/1066616599.db2.gz KGQPOVHQQDXCIS-ZBLYBZFDSA-N 0 0 453.579 4.584 20 0 JJADRN COC[C@@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(C)C ZINC001456537089 1066616718 /nfs/dbraw/zinc/61/67/18/1066616718.db2.gz SHKPXQZJJBRILQ-JOCHJYFZSA-N 0 0 456.970 4.630 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)CC2)s1 ZINC001361264956 1066617361 /nfs/dbraw/zinc/61/73/61/1066617361.db2.gz ZVMKUICCNBVDBU-UHFFFAOYSA-N 0 0 451.640 4.835 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncc(Cl)cc3Cl)CC2)s1 ZINC001361264682 1066617523 /nfs/dbraw/zinc/61/75/23/1066617523.db2.gz QZYJZQCRJVIVSH-UHFFFAOYSA-N 0 0 451.427 4.848 20 0 JJADRN COC(=O)c1cnc(N(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C2CC2)s1 ZINC001456537942 1066617973 /nfs/dbraw/zinc/61/79/73/1066617973.db2.gz AXBQNROSLWAEIS-UHFFFAOYSA-N 0 0 452.410 4.898 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)CCc3cccc(OC(F)F)c3)ccc2C)ccn1 ZINC001361265751 1066618086 /nfs/dbraw/zinc/61/80/86/1066618086.db2.gz GYGDYZJOZAKMAK-UHFFFAOYSA-N 0 0 455.461 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC001456537967 1066618099 /nfs/dbraw/zinc/61/80/99/1066618099.db2.gz BHDXRVVDHAIUNE-AJSBUHFISA-N 0 0 454.611 4.924 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)C(F)(F)c3ccc(Br)cc3)CC2)cc1 ZINC001456538837 1066618688 /nfs/dbraw/zinc/61/86/88/1066618688.db2.gz HWCVVTNMCSDNLZ-UHFFFAOYSA-N 0 0 452.295 4.671 20 0 JJADRN COc1cccc(C(NC(=O)C[C@@H](C)n2cc(Br)cn2)c2cccc(OC)c2)c1 ZINC001361266158 1066618624 /nfs/dbraw/zinc/61/86/24/1066618624.db2.gz ONVCBJNGKDHCGK-OAHLLOKOSA-N 0 0 458.356 4.520 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc2)n1 ZINC001445795087 1066618678 /nfs/dbraw/zinc/61/86/78/1066618678.db2.gz ZCBOYPBDRAQXOH-KRWDZBQOSA-N 0 0 457.317 4.876 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2cc(I)c(Cl)cc2Cl)C12CCC2 ZINC001456538333 1066618742 /nfs/dbraw/zinc/61/87/42/1066618742.db2.gz ZNRJXBIAJAHIDZ-KGLIPLIRSA-N 0 0 454.135 4.676 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)cn1 ZINC001361267260 1066619259 /nfs/dbraw/zinc/61/92/59/1066619259.db2.gz LCZCESVFQCACDC-IBGZPJMESA-N 0 0 497.043 4.518 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccsc2)c(=O)n1C ZINC001361267276 1066619412 /nfs/dbraw/zinc/61/94/12/1066619412.db2.gz LJBUZNXJJFBIQX-QGZVFWFLSA-N 0 0 484.025 4.825 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001456539928 1066619445 /nfs/dbraw/zinc/61/94/45/1066619445.db2.gz RKFHCMCIAASLHV-VHSXEESVSA-N 0 0 451.189 4.806 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1OC ZINC001361267391 1066619926 /nfs/dbraw/zinc/61/99/26/1066619926.db2.gz KLWDQGPXEUWELS-OSPHWJPCSA-N 0 0 453.560 4.565 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)NCc4cccc(Cl)c4F)c(=O)c23)cc1 ZINC001361267748 1066620001 /nfs/dbraw/zinc/62/00/01/1066620001.db2.gz PNOJCMIZDFBRFX-UHFFFAOYSA-N 0 0 455.942 4.932 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2c(Cl)nn(C)c2Cl)cc1OC ZINC001361268134 1066620596 /nfs/dbraw/zinc/62/05/96/1066620596.db2.gz WVIYRBMITPPTCM-UHFFFAOYSA-N 0 0 454.379 4.691 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1C ZINC001361268096 1066620607 /nfs/dbraw/zinc/62/06/07/1066620607.db2.gz VRCYZXHDWGVLDC-OAQYLSRUSA-N 0 0 450.604 4.811 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1Br ZINC001456544218 1066621410 /nfs/dbraw/zinc/62/14/10/1066621410.db2.gz QYPLRXXJXOWCBO-UHFFFAOYSA-N 0 0 452.780 4.789 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001445805283 1066621431 /nfs/dbraw/zinc/62/14/31/1066621431.db2.gz PQCOURAQKVFWMN-IBGZPJMESA-N 0 0 451.876 4.684 20 0 JJADRN COc1cccc([C@@H](O)CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)c1 ZINC001445806773 1066621438 /nfs/dbraw/zinc/62/14/38/1066621438.db2.gz VQKMYPFRHCAFPL-SANMLTNESA-N 0 0 455.558 4.687 20 0 JJADRN O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1C(F)(F)F ZINC001445810865 1066621846 /nfs/dbraw/zinc/62/18/46/1066621846.db2.gz UWKXSTFLRIJTQL-CQSZACIVSA-N 0 0 456.180 4.950 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001445809929 1066621873 /nfs/dbraw/zinc/62/18/73/1066621873.db2.gz ANYUWHUTHWBYQJ-NXMSCROESA-N 0 0 455.640 4.660 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001445809943 1066621965 /nfs/dbraw/zinc/62/19/65/1066621965.db2.gz ANYUWHUTHWBYQJ-QZTZHPFYSA-N 0 0 455.640 4.660 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001445812137 1066621980 /nfs/dbraw/zinc/62/19/80/1066621980.db2.gz CRUHOQAHAKBHLJ-MRXNPFEDSA-N 0 0 452.393 4.673 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001361268737 1066621848 /nfs/dbraw/zinc/62/18/48/1066621848.db2.gz WOZBQJUDRKHURS-ULQDDVLXSA-N 0 0 497.086 4.748 20 0 JJADRN COC(=O)c1cnc([C@H]2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)C2)s1 ZINC001456547422 1066621762 /nfs/dbraw/zinc/62/17/62/1066621762.db2.gz HYBOOTCLGNVCPY-KRWDZBQOSA-N 0 0 456.951 4.792 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccc(F)cc2F)cn1 ZINC001361268817 1066622570 /nfs/dbraw/zinc/62/25/70/1066622570.db2.gz QVZRBKKLPIXFTQ-UHFFFAOYSA-N 0 0 487.352 4.712 20 0 JJADRN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001545978980 1066622695 /nfs/dbraw/zinc/62/26/95/1066622695.db2.gz PRZUTMIKEKHRJD-GFCCVEGCSA-N 0 0 458.868 4.620 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)NC[C@H](O)c1cccc(F)c1 ZINC001445816248 1066623098 /nfs/dbraw/zinc/62/30/98/1066623098.db2.gz ZQPJHTNQOPHQQM-FQEVSTJZSA-N 0 0 458.320 4.999 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445822246 1066623913 /nfs/dbraw/zinc/62/39/13/1066623913.db2.gz MXXZIJFIZIAEDQ-RTBURBONSA-N 0 0 455.640 4.613 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC001445822564 1066623962 /nfs/dbraw/zinc/62/39/62/1066623962.db2.gz OUPVDNSXBHWGGI-GOSISDBHSA-N 0 0 451.571 4.542 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)nnn1Cc1ccc(F)cc1F ZINC001456561252 1066624881 /nfs/dbraw/zinc/62/48/81/1066624881.db2.gz BZJFEFPOFAEHGD-QHCPKHFHSA-N 0 0 450.464 4.766 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1)c1ccccc1 ZINC001361271369 1066624948 /nfs/dbraw/zinc/62/49/48/1066624948.db2.gz XDUMCJZCXQBYAZ-MRXNPFEDSA-N 0 0 454.514 4.531 20 0 JJADRN O=C(c1nc(C(F)(F)F)n2ccccc12)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001456559856 1066625102 /nfs/dbraw/zinc/62/51/02/1066625102.db2.gz WPFDEZMBEWNUBS-UHFFFAOYSA-N 0 0 458.665 4.968 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n1 ZINC001361272035 1066625441 /nfs/dbraw/zinc/62/54/41/1066625441.db2.gz DPZIGOBHKVSNBY-LLVKDONJSA-N 0 0 454.285 4.777 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361271911 1066625550 /nfs/dbraw/zinc/62/55/50/1066625550.db2.gz FLBOYYDVCYGIAD-SFHVURJKSA-N 0 0 486.979 4.593 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cc(C)cc(OC)c2O)c1 ZINC001445846460 1066625713 /nfs/dbraw/zinc/62/57/13/1066625713.db2.gz PMHYWVVIPKVSJS-UHFFFAOYSA-N 0 0 458.923 4.948 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)[C@H](O)Cc1ccccc1 ZINC001545979175 1066625753 /nfs/dbraw/zinc/62/57/53/1066625753.db2.gz VSSVXQNZJDXZRS-OYHNWAKOSA-N 0 0 457.357 4.968 20 0 JJADRN CC[C@H](Cc1ccccc1)N(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC001445855769 1066626502 /nfs/dbraw/zinc/62/65/02/1066626502.db2.gz VQLGXNWGHABYRC-GJKZGALTSA-N 0 0 455.643 4.773 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1n[nH]c2c1CCCCC2 ZINC001456568347 1066627852 /nfs/dbraw/zinc/62/78/52/1066627852.db2.gz UFEJEEJNOUDORX-UHFFFAOYSA-N 0 0 453.340 4.946 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(OC(C)(C)C)CC2)c(=O)n1C ZINC001361272817 1066628211 /nfs/dbraw/zinc/62/82/11/1066628211.db2.gz RFNKMAKSIPSREW-UHFFFAOYSA-N 0 0 488.007 4.577 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N[C@H](C(=O)OC(C)(C)C)c3cccc(C)c3)n2)c1 ZINC001456569629 1066628400 /nfs/dbraw/zinc/62/84/00/1066628400.db2.gz WDMHGCSPKFHQOL-FQEVSTJZSA-N 0 0 453.564 4.645 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)cc1Br ZINC001445865561 1066628406 /nfs/dbraw/zinc/62/84/06/1066628406.db2.gz IUKPFGRIAKSWGK-LJQANCHMSA-N 0 0 453.174 4.908 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc2cc(Br)ccc2[nH]1 ZINC001445864696 1066628538 /nfs/dbraw/zinc/62/85/38/1066628538.db2.gz JLOKSYMQZKUBFM-CYBMUJFWSA-N 0 0 455.274 4.530 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001361273140 1066628884 /nfs/dbraw/zinc/62/88/84/1066628884.db2.gz OILNXFNUBMTKRL-GOSISDBHSA-N 0 0 491.455 4.756 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@H]2C)c(=O)n1C ZINC001361273158 1066628988 /nfs/dbraw/zinc/62/89/88/1066628988.db2.gz WSCZUKFFRUEDNT-TZIWHRDSSA-N 0 0 463.626 4.660 20 0 JJADRN C[C@]1(c2ccccc2)CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC001445870842 1066629135 /nfs/dbraw/zinc/62/91/35/1066629135.db2.gz VBMDVBHFQHGXES-JOCHJYFZSA-N 0 0 457.393 4.889 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC001545979429 1066629186 /nfs/dbraw/zinc/62/91/86/1066629186.db2.gz AGEXWQILAYZDQU-GOSISDBHSA-N 0 0 459.516 4.736 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001445867075 1066629191 /nfs/dbraw/zinc/62/91/91/1066629191.db2.gz MPLPURNPWCSDNA-QXWFJRNPSA-N 0 0 458.961 4.551 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546083498 1066629173 /nfs/dbraw/zinc/62/91/73/1066629173.db2.gz OIRJSGPJPZWEDF-XDHUDOTRSA-N 0 0 471.989 4.529 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361273289 1066629424 /nfs/dbraw/zinc/62/94/24/1066629424.db2.gz XJQOVIVGMQIQOJ-NHYWBVRUSA-N 0 0 457.909 4.568 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1C(F)(F)F ZINC001445871702 1066629547 /nfs/dbraw/zinc/62/95/47/1066629547.db2.gz UHMZYGPQMNEOBX-CQSZACIVSA-N 0 0 456.386 4.853 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Sc2ccccc2)CCO1 ZINC001546083541 1066629680 /nfs/dbraw/zinc/62/96/80/1066629680.db2.gz PBGFUYFHUJPLBR-NIJXNBFTSA-N 0 0 474.671 4.505 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979455 1066629740 /nfs/dbraw/zinc/62/97/40/1066629740.db2.gz AXABLRUCQODPLU-RBUKOAKNSA-N 0 0 456.635 4.824 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001456578734 1066630405 /nfs/dbraw/zinc/63/04/05/1066630405.db2.gz QZTARNLASJWNHG-PKTZIBPZSA-N 0 0 458.624 4.568 20 0 JJADRN O=C(CCSc1nc2ccccc2s1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001445878996 1066630350 /nfs/dbraw/zinc/63/03/50/1066630350.db2.gz KWGJQGWTWHUSMI-FQEVSTJZSA-N 0 0 454.617 4.992 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)C1 ZINC001456580261 1066630821 /nfs/dbraw/zinc/63/08/21/1066630821.db2.gz AZLJLKYOIACMFR-XMMPIXPASA-N 0 0 450.576 4.587 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001361274306 1066630873 /nfs/dbraw/zinc/63/08/73/1066630873.db2.gz CRCDHRPOHCJZFK-AZUAARDMSA-N 0 0 480.588 4.575 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361274300 1066630931 /nfs/dbraw/zinc/63/09/31/1066630931.db2.gz CORATLZITGCUMR-OAQYLSRUSA-N 0 0 476.625 4.698 20 0 JJADRN O=C(c1ccn(-c2cccc(Br)c2)n1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001445888482 1066631084 /nfs/dbraw/zinc/63/10/84/1066631084.db2.gz JYFRHQMKKQVWLP-UHFFFAOYSA-N 0 0 454.368 4.582 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001361274308 1066631645 /nfs/dbraw/zinc/63/16/45/1066631645.db2.gz CRCDHRPOHCJZFK-QUCCMNQESA-N 0 0 480.588 4.575 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCc3cc(Br)c(F)cc3C2)CCN1C(=O)OC(C)(C)C ZINC001456584859 1066633030 /nfs/dbraw/zinc/63/30/30/1066633030.db2.gz GVGDYNBWDOJSCE-UKRRQHHQSA-N 0 0 455.368 4.509 20 0 JJADRN O=C(NCc1ccc(O)c(Br)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001445911294 1066633740 /nfs/dbraw/zinc/63/37/40/1066633740.db2.gz NKLWOMGDBOAYAS-UHFFFAOYSA-N 0 0 453.052 4.866 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1cccc(Cl)c1Cl ZINC001445912853 1066633791 /nfs/dbraw/zinc/63/37/91/1066633791.db2.gz SDQUPQLBGGBVHH-UHFFFAOYSA-N 0 0 455.285 4.900 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1nc(-c2ccco2)sc1C ZINC001445910012 1066633804 /nfs/dbraw/zinc/63/38/04/1066633804.db2.gz JACXSPAEEPMSMY-UHFFFAOYSA-N 0 0 459.471 4.689 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361276693 1066633971 /nfs/dbraw/zinc/63/39/71/1066633971.db2.gz JGVPEUNBYVFPJZ-OAQYLSRUSA-N 0 0 489.542 4.889 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H]2C(C)C)c(OCC(F)(F)F)c1 ZINC001361276532 1066634121 /nfs/dbraw/zinc/63/41/21/1066634121.db2.gz HLUFWNPTQRUCDU-IBGZPJMESA-N 0 0 462.520 4.601 20 0 JJADRN Cc1ccc(SC2(CNC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CCCC2)cc1 ZINC001361276849 1066634162 /nfs/dbraw/zinc/63/41/62/1066634162.db2.gz KONBHCDRRCSXBY-SFHVURJKSA-N 0 0 458.649 4.541 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC001445912946 1066634465 /nfs/dbraw/zinc/63/44/65/1066634465.db2.gz UNLXVRVTACVEBZ-CQSZACIVSA-N 0 0 458.502 4.943 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916012 1066634471 /nfs/dbraw/zinc/63/44/71/1066634471.db2.gz AJDMBQVMPZAWRP-JXFKEZNVSA-N 0 0 459.892 4.609 20 0 JJADRN CCNc1ccc(C(=O)OCC)cc1NC(=O)CSc1nccn1-c1cccc(C)c1C ZINC001445913889 1066634486 /nfs/dbraw/zinc/63/44/86/1066634486.db2.gz YMXXSKCSEBUFCP-UHFFFAOYSA-N 0 0 452.580 4.828 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445918555 1066635013 /nfs/dbraw/zinc/63/50/13/1066635013.db2.gz IDTPCAAXDZSWCZ-CQSZACIVSA-N 0 0 456.511 4.660 20 0 JJADRN O=C(CCC(=O)c1ccc2ccccc2c1)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445919537 1066635028 /nfs/dbraw/zinc/63/50/28/1066635028.db2.gz LBNUMVWWGBIGHN-SFHVURJKSA-N 0 0 459.464 4.669 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001445916497 1066635049 /nfs/dbraw/zinc/63/50/49/1066635049.db2.gz DIEPNHVOELAMAR-OAHLLOKOSA-N 0 0 452.860 4.815 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cnc21 ZINC001456590138 1066635056 /nfs/dbraw/zinc/63/50/56/1066635056.db2.gz RACZAFWPEDBMHI-HXUWFJFHSA-N 0 0 454.452 4.675 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361277606 1066635468 /nfs/dbraw/zinc/63/54/68/1066635468.db2.gz YCFUETBWHKLGFD-SFHVURJKSA-N 0 0 474.531 4.905 20 0 JJADRN Cc1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)c1 ZINC001445919681 1066635542 /nfs/dbraw/zinc/63/55/42/1066635542.db2.gz KPPWQNNYWORSCV-UHFFFAOYSA-N 0 0 459.793 4.598 20 0 JJADRN CCCN(C(=O)Cc1c(C)nn(-c2ccccn2)c1C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456592236 1066635592 /nfs/dbraw/zinc/63/55/92/1066635592.db2.gz MFPSOAXPYZRCPB-HHHXNRCGSA-N 0 0 457.553 4.989 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC001456591425 1066635614 /nfs/dbraw/zinc/63/56/14/1066635614.db2.gz SZFVUZXTCIIKGU-JWQCQUIFSA-N 0 0 452.501 4.606 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001445920574 1066635716 /nfs/dbraw/zinc/63/57/16/1066635716.db2.gz AAYWAKIIFMLSBH-RPWUZVMVSA-N 0 0 452.595 4.847 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361278306 1066636047 /nfs/dbraw/zinc/63/60/47/1066636047.db2.gz SKESLVFDZOQXAE-UGKGYDQZSA-N 0 0 453.631 4.950 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC001361278575 1066636077 /nfs/dbraw/zinc/63/60/77/1066636077.db2.gz BEHOCTKJMQQUJH-UHFFFAOYSA-N 0 0 458.356 4.592 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001456593132 1066636178 /nfs/dbraw/zinc/63/61/78/1066636178.db2.gz KKWAUUTWQKLERS-UHFFFAOYSA-N 0 0 459.370 4.925 20 0 JJADRN CC[C@@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Cc1cccc(Br)c1 ZINC001456592989 1066636190 /nfs/dbraw/zinc/63/61/90/1066636190.db2.gz DIZDPFAUGSGNPZ-IVZQSRNASA-N 0 0 459.409 4.763 20 0 JJADRN CC[C@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Cc1cccc(Br)c1 ZINC001456593034 1066636236 /nfs/dbraw/zinc/63/62/36/1066636236.db2.gz DIZDPFAUGSGNPZ-OYHNWAKOSA-N 0 0 459.409 4.763 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1OCC ZINC001456594058 1066636633 /nfs/dbraw/zinc/63/66/33/1066636633.db2.gz KKZKHELFBFTJLR-INIZCTEOSA-N 0 0 454.995 4.904 20 0 JJADRN CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456596029 1066636700 /nfs/dbraw/zinc/63/67/00/1066636700.db2.gz NDDHLZNFCYWPCV-UHFFFAOYSA-N 0 0 450.557 4.764 20 0 JJADRN CC[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545979887 1066636758 /nfs/dbraw/zinc/63/67/58/1066636758.db2.gz KEGJRWKFRTYCMV-RBUKOAKNSA-N 0 0 482.629 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@@H]2SCCc3ccccc32)(c2ccccc2)C1 ZINC001361279447 1066636821 /nfs/dbraw/zinc/63/68/21/1066636821.db2.gz WNYSEUUKKKEMDG-NVQXNPDNSA-N 0 0 452.620 4.712 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001545979813 1066636838 /nfs/dbraw/zinc/63/68/38/1066636838.db2.gz IUNZVEAOMZDXLY-IFMALSPDSA-N 0 0 467.589 4.898 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001545979814 1066636876 /nfs/dbraw/zinc/63/68/76/1066636876.db2.gz IUNZVEAOMZDXLY-IRLDBZIGSA-N 0 0 467.589 4.898 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC001445941232 1066638141 /nfs/dbraw/zinc/63/81/41/1066638141.db2.gz VHILFRQWKVCTKL-NHCUHLMSSA-N 0 0 457.496 4.850 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)c(=O)n1C ZINC001361280522 1066638105 /nfs/dbraw/zinc/63/81/05/1066638105.db2.gz HTCNDBZTAYTEKV-UHFFFAOYSA-N 0 0 459.516 4.646 20 0 JJADRN Cc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2cnccn2)c(OCC(F)(F)F)c1 ZINC001361280539 1066638156 /nfs/dbraw/zinc/63/81/56/1066638156.db2.gz IGOLHMOWXXQKKI-UHFFFAOYSA-N 0 0 460.504 4.660 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361280959 1066638827 /nfs/dbraw/zinc/63/88/27/1066638827.db2.gz STPCZUNLBCAKMX-FQEVSTJZSA-N 0 0 453.631 4.952 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001456603680 1066639394 /nfs/dbraw/zinc/63/93/94/1066639394.db2.gz JPEJZZIILYFBTI-KRWDZBQOSA-N 0 0 455.725 4.677 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001361281682 1066639449 /nfs/dbraw/zinc/63/94/49/1066639449.db2.gz JPMPUAVYYAPDKB-NQIIRXRSSA-N 0 0 457.594 4.544 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccc(O)cc3)cc2)cc1C ZINC001445951760 1066639467 /nfs/dbraw/zinc/63/94/67/1066639467.db2.gz NKBRHOCWAYBKAI-LJQANCHMSA-N 0 0 452.576 4.561 20 0 JJADRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001445953742 1066639530 /nfs/dbraw/zinc/63/95/30/1066639530.db2.gz CXSKWUNMMDRLBM-UHFFFAOYSA-N 0 0 452.454 4.505 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](C(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361282255 1066640069 /nfs/dbraw/zinc/64/00/69/1066640069.db2.gz QUKBHHDIELZOLS-HKUYNNGSSA-N 0 0 452.521 4.562 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2nccs2)s1 ZINC001361282701 1066640812 /nfs/dbraw/zinc/64/08/12/1066640812.db2.gz VLZMUEPIHPMBQH-UHFFFAOYSA-N 0 0 488.683 4.904 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545980118 1066641121 /nfs/dbraw/zinc/64/11/21/1066641121.db2.gz OYGYUMAZUMZJIY-NZQKXSOJSA-N 0 0 467.589 4.897 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)S[C@H](C)C1)Oc1ccccc1F ZINC001545980123 1066641127 /nfs/dbraw/zinc/64/11/27/1066641127.db2.gz PBSOZUVUJYDTFI-GUDVDZBRSA-N 0 0 455.603 4.975 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)S[C@@H](C)C1)Oc1ccccc1F ZINC001545980122 1066641140 /nfs/dbraw/zinc/64/11/40/1066641140.db2.gz PBSOZUVUJYDTFI-GBESFXJTSA-N 0 0 455.603 4.975 20 0 JJADRN CCOc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1CO ZINC001445969727 1066641168 /nfs/dbraw/zinc/64/11/68/1066641168.db2.gz WPWUTCKJJAKOEZ-UHFFFAOYSA-N 0 0 456.608 4.619 20 0 JJADRN COc1ccc(C[C@H](NC(=O)Cn2cc(-c3ccccc3)c(C)n2)c2ccccc2)cc1OC ZINC001361283590 1066641474 /nfs/dbraw/zinc/64/14/74/1066641474.db2.gz CNOBBMMBCYPJKD-VWLOTQADSA-N 0 0 455.558 4.976 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)o1 ZINC001456609059 1066642390 /nfs/dbraw/zinc/64/23/90/1066642390.db2.gz UYRKHCHUUZMYHN-URXFXBBRSA-N 0 0 452.595 4.993 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)s2)c2ccccc2)cc1OC ZINC001361284455 1066642794 /nfs/dbraw/zinc/64/27/94/1066642794.db2.gz SHARRMLUGGMPBE-LJQANCHMSA-N 0 0 450.560 4.828 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC001361284895 1066642826 /nfs/dbraw/zinc/64/28/26/1066642826.db2.gz LMAVVCXVMNPVPE-OAQYLSRUSA-N 0 0 451.659 4.698 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001361284789 1066642890 /nfs/dbraw/zinc/64/28/90/1066642890.db2.gz IYEIPBUFUBDNSW-UHFFFAOYSA-N 0 0 461.658 4.772 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(C)(C)c3ccc4ccccc4c3)CC2)c(C)c1 ZINC001456610235 1066642955 /nfs/dbraw/zinc/64/29/55/1066642955.db2.gz WUJBYBVRYHLEET-QFIPXVFZSA-N 0 0 458.602 4.873 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)COCc1cccc(Cl)c1 ZINC001456611856 1066642967 /nfs/dbraw/zinc/64/29/67/1066642967.db2.gz UBHYJOUXMIQGGZ-DHIUTWEWSA-N 0 0 458.986 4.895 20 0 JJADRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COCc1cccc(Cl)c1 ZINC001456611858 1066643009 /nfs/dbraw/zinc/64/30/09/1066643009.db2.gz UBHYJOUXMIQGGZ-GOTSBHOMSA-N 0 0 458.986 4.895 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC(C)(C)C2)c(F)c1 ZINC001361285067 1066643847 /nfs/dbraw/zinc/64/38/47/1066643847.db2.gz PGMDEVSYRQWTQD-NRFANRHFSA-N 0 0 487.620 4.709 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](C)CC2)cc1 ZINC001361285149 1066643878 /nfs/dbraw/zinc/64/38/78/1066643878.db2.gz RKQKTULXEZUDAL-KNQAVFIVSA-N 0 0 469.630 4.570 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)CC2)cc1 ZINC001361285151 1066643897 /nfs/dbraw/zinc/64/38/97/1066643897.db2.gz RKQKTULXEZUDAL-UGKGYDQZSA-N 0 0 469.630 4.570 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001456612791 1066643868 /nfs/dbraw/zinc/64/38/68/1066643868.db2.gz CLLYBCHWKOUJTD-NIJXNBFTSA-N 0 0 450.579 4.802 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)NC2CCC(C)(c3ccccc3)CC2)cc1OC ZINC001446001376 1066643973 /nfs/dbraw/zinc/64/39/73/1066643973.db2.gz OSJXPBOKWJEGFL-FDRXKKDESA-N 0 0 450.579 4.929 20 0 JJADRN CCc1oc2ccccc2c1C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446001397 1066644148 /nfs/dbraw/zinc/64/41/48/1066644148.db2.gz OTDYUEQLBDFKLS-UHFFFAOYSA-N 0 0 452.507 4.865 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001456615156 1066644187 /nfs/dbraw/zinc/64/41/87/1066644187.db2.gz AMVQLHGEVCOUQN-BETUJISGSA-N 0 0 455.727 4.949 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)cc(C(F)(F)F)c1 ZINC001446012777 1066645021 /nfs/dbraw/zinc/64/50/21/1066645021.db2.gz LOSTVUIXSUHZJV-FQEVSTJZSA-N 0 0 454.514 4.704 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(O[C@H]2CCOC2)c1 ZINC001361286546 1066644953 /nfs/dbraw/zinc/64/49/53/1066644953.db2.gz SXOJONAJQSVLEX-JTHBVZDNSA-N 0 0 470.658 4.642 20 0 JJADRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001361286654 1066644979 /nfs/dbraw/zinc/64/49/79/1066644979.db2.gz SPNIPXWDSDPWNY-CRAIPNDOSA-N 0 0 450.423 4.681 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(I)c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001456616928 1066645762 /nfs/dbraw/zinc/64/57/62/1066645762.db2.gz IXLDIKSUBARLCK-ZDUSSCGKSA-N 0 0 452.720 4.529 20 0 JJADRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001361286656 1066645632 /nfs/dbraw/zinc/64/56/32/1066645632.db2.gz SPNIPXWDSDPWNY-QAPCUYQASA-N 0 0 450.423 4.681 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC001361287019 1066645745 /nfs/dbraw/zinc/64/57/45/1066645745.db2.gz YNZPAQANODPVMV-MOPGFXCFSA-N 0 0 458.521 4.758 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)s2)cc1 ZINC001446014137 1066645754 /nfs/dbraw/zinc/64/57/54/1066645754.db2.gz MPXUSHZQRKNVQW-IEBWSBKVSA-N 0 0 458.605 4.543 20 0 JJADRN CCCCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001446016412 1066645771 /nfs/dbraw/zinc/64/57/71/1066645771.db2.gz RDUORTLUOHYGFU-HNNXBMFYSA-N 0 0 459.450 4.711 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001456619040 1066646337 /nfs/dbraw/zinc/64/63/37/1066646337.db2.gz NUWDMBWGWDUBJU-CYBMUJFWSA-N 0 0 455.601 4.636 20 0 JJADRN COc1cc(C(=O)NCC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)ccc1OC(F)F ZINC001446016197 1066646374 /nfs/dbraw/zinc/64/63/74/1066646374.db2.gz IJTDKVFNAQNLHA-ZQGDAAQZSA-N 0 0 458.505 4.511 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456619057 1066647138 /nfs/dbraw/zinc/64/71/38/1066647138.db2.gz XTPRMZKZFZHMED-OAHLLOKOSA-N 0 0 450.576 4.606 20 0 JJADRN CC(C)Cc1cc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc(=O)[nH]1 ZINC001456620136 1066647646 /nfs/dbraw/zinc/64/76/46/1066647646.db2.gz ONUVYPCUQPTJGW-IBGZPJMESA-N 0 0 459.631 4.875 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001456620488 1066647706 /nfs/dbraw/zinc/64/77/06/1066647706.db2.gz DHKAHRKCUIBUGJ-UHFFFAOYSA-N 0 0 455.605 4.737 20 0 JJADRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001446029230 1066647919 /nfs/dbraw/zinc/64/79/19/1066647919.db2.gz CXUIGRINJYYEAN-RSXGOPAZSA-N 0 0 458.558 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)CC1 ZINC001456622627 1066648447 /nfs/dbraw/zinc/64/84/47/1066648447.db2.gz URVIEAZUNFVJTF-INIZCTEOSA-N 0 0 455.521 4.990 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1 ZINC001492598756 1066648428 /nfs/dbraw/zinc/64/84/28/1066648428.db2.gz PFUTUEFMCITJLD-FQEVSTJZSA-N 0 0 453.974 4.552 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492598832 1066648612 /nfs/dbraw/zinc/64/86/12/1066648612.db2.gz PZQKFCOFXQLQOM-IRLDBZIGSA-N 0 0 454.640 4.958 20 0 JJADRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001446032140 1066648729 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MGIFQYAHNJWBBI-UHFFFAOYSA-N 0 0 453.336 4.540 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492599574 1066650511 /nfs/dbraw/zinc/65/05/11/1066650511.db2.gz YSPNENDBFVZZIS-UHFFFAOYSA-N 0 0 496.656 4.801 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001492599563 1066650613 /nfs/dbraw/zinc/65/06/13/1066650613.db2.gz YLYBBLKEZQBOOT-RTWAWAEBSA-N 0 0 468.671 4.592 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492599494 1066650617 /nfs/dbraw/zinc/65/06/17/1066650617.db2.gz XJFAGOZEEKRDPV-ZZLPTCMGSA-N 0 0 470.658 4.976 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC001446045612 1066651180 /nfs/dbraw/zinc/65/11/80/1066651180.db2.gz XGVCXDLPUODDRN-AWEZNQCLSA-N 0 0 458.490 4.601 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCc4cccc(Br)c4C3)[nH]n2)c1C ZINC001446048564 1066651266 /nfs/dbraw/zinc/65/12/66/1066651266.db2.gz LMNCFRFAUOOBQQ-CYBMUJFWSA-N 0 0 456.388 4.822 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3oc(CNC(=O)OC(C)(C)C)cc3C)n2)cc1 ZINC001446044395 1066651384 /nfs/dbraw/zinc/65/13/84/1066651384.db2.gz GBZQTMZOCSIXIN-OAHLLOKOSA-N 0 0 454.527 4.716 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)c1 ZINC001456631072 1066651557 /nfs/dbraw/zinc/65/15/57/1066651557.db2.gz BLSRBWKDHANMLB-UHFFFAOYSA-N 0 0 452.532 4.544 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)C1CC1 ZINC001492599995 1066651930 /nfs/dbraw/zinc/65/19/30/1066651930.db2.gz GSZOCXPLRLJWBY-JOCHJYFZSA-N 0 0 491.455 4.754 20 0 JJADRN Cc1ccccc1OCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492599867 1066651952 /nfs/dbraw/zinc/65/19/52/1066651952.db2.gz DBFHFPMSWWYIQL-FQEVSTJZSA-N 0 0 459.516 4.820 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cccn2C)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492599820 1066651985 /nfs/dbraw/zinc/65/19/85/1066651985.db2.gz CIKXFZDSSXZMHD-LJQANCHMSA-N 0 0 450.612 4.758 20 0 JJADRN 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JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)CCCC2)cc1 ZINC001456643203 1066655371 /nfs/dbraw/zinc/65/53/71/1066655371.db2.gz JYRALGOFUJNBKM-HXUWFJFHSA-N 0 0 458.624 4.606 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 ZINC001456643471 1066655469 /nfs/dbraw/zinc/65/54/69/1066655469.db2.gz ITUMJFJKYXMEIA-UHFFFAOYSA-N 0 0 456.424 4.568 20 0 JJADRN CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)ccn1 ZINC001456644253 1066656014 /nfs/dbraw/zinc/65/60/14/1066656014.db2.gz LGTCZPFQBCBDEO-MGPUTAFESA-N 0 0 452.020 4.681 20 0 JJADRN Cc1c(NC(=O)[C@@H](OCC2CCCC2)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456644159 1066656157 /nfs/dbraw/zinc/65/61/57/1066656157.db2.gz AVWJGDLGONEKOG-QHCPKHFHSA-N 0 0 458.624 4.958 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC001446078600 1066656063 /nfs/dbraw/zinc/65/60/63/1066656063.db2.gz VRDVWYIUHNZDCC-FUHWJXTLSA-N 0 0 453.421 4.924 20 0 JJADRN CC(C)(C)C[C@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545980892 1066656090 /nfs/dbraw/zinc/65/60/90/1066656090.db2.gz DFUARAQWINRLKR-GOSISDBHSA-N 0 0 456.384 4.829 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@H]2CC[C@H](CO)CC2)s1 ZINC001446077557 1066656150 /nfs/dbraw/zinc/65/61/50/1066656150.db2.gz KPWOJHOGZBRQLI-UAPYVXQJSA-N 0 0 451.592 4.772 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)n1 ZINC001446083859 1066656898 /nfs/dbraw/zinc/65/68/98/1066656898.db2.gz FPEFYUPCKKQLOA-INIZCTEOSA-N 0 0 454.637 4.707 20 0 JJADRN Cc1ccc(CCCC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)s1 ZINC001456644950 1066656753 /nfs/dbraw/zinc/65/67/53/1066656753.db2.gz KBNAWSRONFRSED-UHFFFAOYSA-N 0 0 458.443 4.510 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(OCCC(C)C)c3)C2)cc1 ZINC001456645679 1066656873 /nfs/dbraw/zinc/65/68/73/1066656873.db2.gz DSDQRLIYLCEQQA-OAQYLSRUSA-N 0 0 458.624 4.768 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001492601935 1066657020 /nfs/dbraw/zinc/65/70/20/1066657020.db2.gz LBBYJKKUGXNUQM-UHFFFAOYSA-N 0 0 491.562 4.611 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492601857 1066657077 /nfs/dbraw/zinc/65/70/77/1066657077.db2.gz IFUCJRLHZATAJX-OAQYLSRUSA-N 0 0 494.640 4.507 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001492602151 1066657700 /nfs/dbraw/zinc/65/77/00/1066657700.db2.gz OHYIGJHSEITDIN-BKMJKUGQSA-N 0 0 463.626 4.539 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456648207 1066658179 /nfs/dbraw/zinc/65/81/79/1066658179.db2.gz TXPZUMILKLAWCM-HXUWFJFHSA-N 0 0 457.361 4.838 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cccnc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492602317 1066658384 /nfs/dbraw/zinc/65/83/84/1066658384.db2.gz PWOLBPZQAMOYSR-UHFFFAOYSA-N 0 0 496.537 4.744 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001446094487 1066658881 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DZPOXOSIHUMSNS-REWPJTCUSA-N 0 0 459.974 4.619 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCOCc1ccc(Cl)cc1 ZINC001446185974 1066670343 /nfs/dbraw/zinc/67/03/43/1066670343.db2.gz NDCHJPWIHKCFSA-UHFFFAOYSA-N 0 0 450.391 4.913 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC=C(C)C2)cnn1C ZINC001492609209 1066670430 /nfs/dbraw/zinc/67/04/30/1066670430.db2.gz OSTXLVUZJZVLMX-UHFFFAOYSA-N 0 0 461.795 4.608 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC001446186834 1066670476 /nfs/dbraw/zinc/67/04/76/1066670476.db2.gz WLTFYQQYJVAWOS-UHFFFAOYSA-N 0 0 450.474 4.702 20 0 JJADRN CN(CCO)c1ccc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1 ZINC001446186257 1066670492 /nfs/dbraw/zinc/67/04/92/1066670492.db2.gz PYOFSLCPYVRGTG-UHFFFAOYSA-N 0 0 458.381 4.676 20 0 JJADRN CCSCc1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC001446184900 1066670531 /nfs/dbraw/zinc/67/05/31/1066670531.db2.gz KYFOBGFISUOXQF-UHFFFAOYSA-N 0 0 459.568 4.835 20 0 JJADRN COc1cc(CN(C)C(=O)[C@@H](C)Oc2ccccc2Br)c(SC)cc1OC ZINC001456704319 1066670747 /nfs/dbraw/zinc/67/07/47/1066670747.db2.gz OCDOPOJOKYUSPD-CYBMUJFWSA-N 0 0 454.386 4.614 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001456704408 1066670813 /nfs/dbraw/zinc/67/08/13/1066670813.db2.gz JBNYCBJKISMLNU-QFIPXVFZSA-N 0 0 453.380 4.903 20 0 JJADRN CN1C(=O)COc2ccc(NC(=O)CC[C@H](CC3CCCCC3)NC(=O)OC(C)(C)C)cc21 ZINC001456703599 1066670830 /nfs/dbraw/zinc/67/08/30/1066670830.db2.gz OEIRQQZWYREMMB-GOSISDBHSA-N 0 0 459.587 4.624 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C(C)(C)C)no2)C1 ZINC001492609387 1066671146 /nfs/dbraw/zinc/67/11/46/1066671146.db2.gz PUBVGRHCDNHVRY-UHFFFAOYSA-N 0 0 459.392 4.536 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCc2cnn(C)c2)C1 ZINC001492609341 1066671255 /nfs/dbraw/zinc/67/12/55/1066671255.db2.gz RXJUSQDCMVPFTK-UHFFFAOYSA-N 0 0 475.822 4.884 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC001456707122 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QOISXILFYGHZOR-UHFFFAOYSA-N 0 0 452.551 4.595 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCS2)C1 ZINC001492611129 1066673315 /nfs/dbraw/zinc/67/33/15/1066673315.db2.gz SBUBKCAIQZCSDR-DVECYGJZSA-N 0 0 461.676 4.835 20 0 JJADRN CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCCCCC2)C1 ZINC001492611449 1066674205 /nfs/dbraw/zinc/67/42/05/1066674205.db2.gz BRBDQYYFNFOUKJ-UHFFFAOYSA-N 0 0 473.662 4.634 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)n1 ZINC001456726433 1066674452 /nfs/dbraw/zinc/67/44/52/1066674452.db2.gz NCVXEQLGEHBYTR-WSTZPKSXSA-N 0 0 456.587 4.677 20 0 JJADRN CC1=CCCN(c2nnc(CCOc3ccccc3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001492613225 1066674737 /nfs/dbraw/zinc/67/47/37/1066674737.db2.gz LWBZBAHKBTXVNH-UHFFFAOYSA-N 0 0 473.499 4.549 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001492612515 1066674889 /nfs/dbraw/zinc/67/48/89/1066674889.db2.gz JQNGIBJLMOINAT-UHFFFAOYSA-N 0 0 455.578 4.564 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(F)(F)F ZINC001456726791 1066675052 /nfs/dbraw/zinc/67/50/52/1066675052.db2.gz INGHTEHOUIRXFY-NRFANRHFSA-N 0 0 457.456 4.841 20 0 JJADRN CCn1ncc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)c1Br ZINC001456727656 1066675167 /nfs/dbraw/zinc/67/51/67/1066675167.db2.gz LHRZKQLWLQIQMZ-UHFFFAOYSA-N 0 0 456.319 4.919 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc(Cl)cn2)C1 ZINC001492613157 1066675574 /nfs/dbraw/zinc/67/55/74/1066675574.db2.gz JARTWXZBDIFURL-UHFFFAOYSA-N 0 0 455.006 4.861 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001492613310 1066675609 /nfs/dbraw/zinc/67/56/09/1066675609.db2.gz POEFMGHQPFUDHB-NRFANRHFSA-N 0 0 469.630 4.886 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001492613646 1066675971 /nfs/dbraw/zinc/67/59/71/1066675971.db2.gz CYPGEICXTZGDBM-UHFFFAOYSA-N 0 0 478.906 4.718 20 0 JJADRN Cc1nnc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCC=C(C)C2)s1 ZINC001492613564 1066676041 /nfs/dbraw/zinc/67/60/41/1066676041.db2.gz ZIQUFFURLOUYHS-UHFFFAOYSA-N 0 0 459.019 4.616 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)n2)cc1 ZINC001456732504 1066676652 /nfs/dbraw/zinc/67/66/52/1066676652.db2.gz FLRUKEGDPXAXLC-UHFFFAOYSA-N 0 0 451.577 4.665 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[S@](=O)C(C)(C)C)C1 ZINC001492613783 1066676993 /nfs/dbraw/zinc/67/69/93/1066676993.db2.gz IDHVYJYLRARBLD-PMERELPUSA-N 0 0 471.454 4.868 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC001492613775 1066677087 /nfs/dbraw/zinc/67/70/87/1066677087.db2.gz HXNQPIGZKCHCEO-QFIPXVFZSA-N 0 0 494.640 4.703 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1=S ZINC001446238757 1066677324 /nfs/dbraw/zinc/67/73/24/1066677324.db2.gz SLVPGBFMJHURCB-HKUYNNGSSA-N 0 0 451.036 4.544 20 0 JJADRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001456734457 1066677539 /nfs/dbraw/zinc/67/75/39/1066677539.db2.gz VNIFDXCNMKKDAM-KRWDZBQOSA-N 0 0 456.562 4.688 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001492614082 1066677579 /nfs/dbraw/zinc/67/75/79/1066677579.db2.gz SVBVCHCXEZFUQL-OTPAQWSUSA-N 0 0 459.034 4.914 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001446241889 1066678189 /nfs/dbraw/zinc/67/81/89/1066678189.db2.gz GGCZBKULXCMJPF-UHFFFAOYSA-N 0 0 456.425 4.941 20 0 JJADRN Cn1c(C(=O)N2CCC(c3cccnc3)CC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001446241208 1066678198 /nfs/dbraw/zinc/67/81/98/1066678198.db2.gz ARVBHRBZRQPQDN-JOCHJYFZSA-N 0 0 452.599 4.902 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC=C(C)C2)c(C)o1 ZINC001492614219 1066678366 /nfs/dbraw/zinc/67/83/66/1066678366.db2.gz YNMWUPKCYBXVSH-LVXARBLLSA-N 0 0 485.629 4.624 20 0 JJADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC001446244360 1066678862 /nfs/dbraw/zinc/67/88/62/1066678862.db2.gz VTMAZNATLWKCLD-GCJKJVERSA-N 0 0 454.636 4.518 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001492614719 1066679057 /nfs/dbraw/zinc/67/90/57/1066679057.db2.gz NOSQNRYMIOZJHF-QGZVFWFLSA-N 0 0 457.937 4.841 20 0 JJADRN CN(CCC1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1)C(=O)OC(C)(C)C ZINC001446247612 1066679602 /nfs/dbraw/zinc/67/96/02/1066679602.db2.gz UPSHIFDFEPSSAC-UHFFFAOYSA-N 0 0 456.559 4.682 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001446246408 1066679621 /nfs/dbraw/zinc/67/96/21/1066679621.db2.gz SDRTZXRDHHTMLU-NJAFHUGGSA-N 0 0 454.514 4.602 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)n[nH]1 ZINC001446247425 1066679690 /nfs/dbraw/zinc/67/96/90/1066679690.db2.gz YWEMBHHGMQJDDD-UHFFFAOYSA-N 0 0 451.328 4.543 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(C)(C)c1ccccc1 ZINC001456743345 1066679720 /nfs/dbraw/zinc/67/97/20/1066679720.db2.gz FEYCWYHFHVQVQX-REHUZNOOSA-N 0 0 456.652 4.839 20 0 JJADRN O=C(c1csc(Br)n1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001446258222 1066680436 /nfs/dbraw/zinc/68/04/36/1066680436.db2.gz MYSYUHPLOZOGLH-CYBMUJFWSA-N 0 0 453.406 4.821 20 0 JJADRN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001446255115 1066680450 /nfs/dbraw/zinc/68/04/50/1066680450.db2.gz AKEFTYBSWUULEC-CQSZACIVSA-N 0 0 452.477 4.722 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492614653 1066680602 /nfs/dbraw/zinc/68/06/02/1066680602.db2.gz LSZKPSSDPBNOGV-RTBURBONSA-N 0 0 473.593 4.969 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001456746918 1066680645 /nfs/dbraw/zinc/68/06/45/1066680645.db2.gz LJYXKNQGHDUKIT-FIPFOOKPSA-N 0 0 457.618 4.732 20 0 JJADRN CC1=CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001492615459 1066681191 /nfs/dbraw/zinc/68/11/91/1066681191.db2.gz NSGNMNBVZBZNCD-HSZRJFAPSA-N 0 0 493.421 4.619 20 0 JJADRN CC(C)(C(=O)NCCCOCC1CCOCC1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001456750675 1066681312 /nfs/dbraw/zinc/68/13/12/1066681312.db2.gz LFZLWPDMHHEQCL-UHFFFAOYSA-N 0 0 454.995 4.830 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001492615400 1066681235 /nfs/dbraw/zinc/68/12/35/1066681235.db2.gz LHUOONBQZBQMMD-UHFFFAOYSA-N 0 0 472.431 4.655 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001492615432 1066681298 /nfs/dbraw/zinc/68/12/98/1066681298.db2.gz MKYCZDUZHVRWFO-UHFFFAOYSA-N 0 0 488.430 4.731 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545982864 1066681340 /nfs/dbraw/zinc/68/13/40/1066681340.db2.gz SFWJMLGOHLSGSA-FGZHOGPDSA-N 0 0 487.620 4.548 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001492615493 1066681600 /nfs/dbraw/zinc/68/16/00/1066681600.db2.gz OQFXDIRAGXJUQC-QFIPXVFZSA-N 0 0 473.612 4.755 20 0 JJADRN Cc1cccc(C)c1OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C)CC1 ZINC001492615690 1066682557 /nfs/dbraw/zinc/68/25/57/1066682557.db2.gz WCHGYEPHXZKIQA-UHFFFAOYSA-N 0 0 456.388 4.888 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)[C@H]2CCc3cc(Br)ccc32)c1 ZINC001456764541 1066683139 /nfs/dbraw/zinc/68/31/39/1066683139.db2.gz HLLBCBDZWFDRKN-NRFANRHFSA-N 0 0 453.336 4.991 20 0 JJADRN Cc1cc(NC(=O)c2c(F)cccc2I)ccc1OCC(F)(F)F ZINC001456765528 1066683160 /nfs/dbraw/zinc/68/31/60/1066683160.db2.gz KHUMOASENRYDNQ-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN Cc1cc(NC(=O)c2ccc(I)c(F)c2)ccc1OCC(F)(F)F ZINC001456765501 1066683214 /nfs/dbraw/zinc/68/32/14/1066683214.db2.gz JJXFTCGECOPDCQ-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN COc1ccc(CN2CC[C@H](NC(=O)c3ccccc3SCc3cccs3)C2=O)cc1 ZINC001456767913 1066683960 /nfs/dbraw/zinc/68/39/60/1066683960.db2.gz CVYYACBHAHQTNK-NRFANRHFSA-N 0 0 452.601 4.580 20 0 JJADRN Cc1cccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c1 ZINC001492617438 1066684361 /nfs/dbraw/zinc/68/43/61/1066684361.db2.gz GHULFOXGABNXRH-QFIPXVFZSA-N 0 0 451.615 4.906 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001492617383 1066684480 /nfs/dbraw/zinc/68/44/80/1066684480.db2.gz FELQFLMOEBEFKZ-LEWJYISDSA-N 0 0 473.662 4.754 20 0 JJADRN CCOC(=O)CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)COC1 ZINC001456769269 1066684552 /nfs/dbraw/zinc/68/45/52/1066684552.db2.gz KAEYGEKMZCSWIZ-UHFFFAOYSA-N 0 0 458.725 4.891 20 0 JJADRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001446279514 1066685190 /nfs/dbraw/zinc/68/51/90/1066685190.db2.gz KPEDTIQCUUWQRD-JKSUJKDBSA-N 0 0 456.514 4.914 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2)c1C(F)(F)F ZINC001456771164 1066685440 /nfs/dbraw/zinc/68/54/40/1066685440.db2.gz AMWMVDKSUMAUKI-UHFFFAOYSA-N 0 0 457.330 4.737 20 0 JJADRN CN(C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001456772282 1066686160 /nfs/dbraw/zinc/68/61/60/1066686160.db2.gz SKUZGYRDABBZDQ-GOTSBHOMSA-N 0 0 452.913 4.863 20 0 JJADRN CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)[C@H](C)c1ccccc1 ZINC001456771640 1066686230 /nfs/dbraw/zinc/68/62/30/1066686230.db2.gz NXMOVKCCGMDROJ-LJQANCHMSA-N 0 0 458.624 4.920 20 0 JJADRN CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)[C@@H](C)c1ccccc1 ZINC001456771635 1066686295 /nfs/dbraw/zinc/68/62/95/1066686295.db2.gz NXMOVKCCGMDROJ-IBGZPJMESA-N 0 0 458.624 4.920 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001446294699 1066686851 /nfs/dbraw/zinc/68/68/51/1066686851.db2.gz ROJNNQQWSAEODW-RRFJBIMHSA-N 0 0 457.384 4.671 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CO[C@H]3c3ccccc3)c2)cc1C ZINC001456773901 1066686990 /nfs/dbraw/zinc/68/69/90/1066686990.db2.gz FXWZJPGCVCFUHU-PKTZIBPZSA-N 0 0 470.978 4.628 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)c1)c1ccc(Br)cc1 ZINC001456772616 1066687082 /nfs/dbraw/zinc/68/70/82/1066687082.db2.gz AEXCRPHYLSWSNQ-RTWAWAEBSA-N 0 0 451.320 4.571 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492619639 1066687383 /nfs/dbraw/zinc/68/73/83/1066687383.db2.gz DGQLFRJKHWXURD-SANMLTNESA-N 0 0 450.583 4.748 20 0 JJADRN O=C(c1cc2cccc(C(F)(F)F)c2[nH]c1=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001446295761 1066687659 /nfs/dbraw/zinc/68/76/59/1066687659.db2.gz LCYYTZBSASKESE-UHFFFAOYSA-N 0 0 453.823 4.714 20 0 JJADRN Cc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)C2CC2)cc1C ZINC001456775902 1066687920 /nfs/dbraw/zinc/68/79/20/1066687920.db2.gz GZFMNLOIGPRVOX-RTBURBONSA-N 0 0 454.636 4.775 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)cs2)cc1 ZINC001456776813 1066688011 /nfs/dbraw/zinc/68/80/11/1066688011.db2.gz ODCZVYUPZBYPOS-UHFFFAOYSA-N 0 0 455.889 4.918 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Br)cc3)nnc2N2CC=C(C)CC2)s1 ZINC001492619712 1066688074 /nfs/dbraw/zinc/68/80/74/1066688074.db2.gz GUCCRECOLPGQRU-UHFFFAOYSA-N 0 0 460.401 4.589 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001446298829 1066688310 /nfs/dbraw/zinc/68/83/10/1066688310.db2.gz JUEQCYWCAREGEU-SPLOXXLWSA-N 0 0 457.384 4.673 20 0 JJADRN CCC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC ZINC001446298807 1066688355 /nfs/dbraw/zinc/68/83/55/1066688355.db2.gz JTFWGRQIOWIOAL-INIZCTEOSA-N 0 0 455.411 4.724 20 0 JJADRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001456779413 1066688435 /nfs/dbraw/zinc/68/84/35/1066688435.db2.gz CPCPPHVRNYATQT-UHFFFAOYSA-N 0 0 452.432 4.882 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001492619934 1066688524 /nfs/dbraw/zinc/68/85/24/1066688524.db2.gz PEKYMTUNQYOQSO-FDFHNCONSA-N 0 0 480.657 4.730 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C)CC1 ZINC001492619984 1066688713 /nfs/dbraw/zinc/68/87/13/1066688713.db2.gz QSQNXGIWBYGRCW-SFHVURJKSA-N 0 0 458.632 4.514 20 0 JJADRN Cc1c(NC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cnn1CC(C)C ZINC001446302348 1066688978 /nfs/dbraw/zinc/68/89/78/1066688978.db2.gz WQXBJOJIIBJCHF-UHFFFAOYSA-N 0 0 455.603 4.668 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1(C)C ZINC001456782211 1066689309 /nfs/dbraw/zinc/68/93/09/1066689309.db2.gz MHGZECJEKZFSLT-MHTWAQMVSA-N 0 0 465.034 4.953 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)o1 ZINC001456780610 1066689354 /nfs/dbraw/zinc/68/93/54/1066689354.db2.gz FIVOKUWUZACLFP-RAXLEYEMSA-N 0 0 454.523 4.608 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545984414 1066689542 /nfs/dbraw/zinc/68/95/42/1066689542.db2.gz JWEDDLQXCIWDSV-RBUKOAKNSA-N 0 0 473.593 4.646 20 0 JJADRN CCCCCC[C@H](CC)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001456785632 1066689923 /nfs/dbraw/zinc/68/99/23/1066689923.db2.gz RNKZFSWACIPDOV-CVDCTZTESA-N 0 0 453.465 4.797 20 0 JJADRN CCCCCC[C@H](CC)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001456785637 1066690081 /nfs/dbraw/zinc/69/00/81/1066690081.db2.gz RNKZFSWACIPDOV-WMZHIEFXSA-N 0 0 453.465 4.797 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3F)C2)c1 ZINC001492620548 1066690798 /nfs/dbraw/zinc/69/07/98/1066690798.db2.gz HLBLDJVQDZWZCV-WOJBJXKFSA-N 0 0 454.594 4.820 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)c1 ZINC001492620720 1066691519 /nfs/dbraw/zinc/69/15/19/1066691519.db2.gz KLLRGLHGMYLOHW-KRWDZBQOSA-N 0 0 460.985 4.794 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)C2)c1 ZINC001492621167 1066691530 /nfs/dbraw/zinc/69/15/30/1066691530.db2.gz UJNHYWRHEKXVSH-LJQANCHMSA-N 0 0 462.520 4.737 20 0 JJADRN Cc1ccnn1CC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001456792400 1066691667 /nfs/dbraw/zinc/69/16/67/1066691667.db2.gz VJUGVUCCOSEWHC-IBGZPJMESA-N 0 0 450.739 4.847 20 0 JJADRN CS(=O)(=O)CC[C@@H](C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC001456792992 1066691699 /nfs/dbraw/zinc/69/16/99/1066691699.db2.gz YAERLAOQIFDJSN-TZIWHRDSSA-N 0 0 455.601 4.949 20 0 JJADRN Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc(C)c1OCc1cccnc1 ZINC001446330122 1066691996 /nfs/dbraw/zinc/69/19/96/1066691996.db2.gz HTNALMQAUSWOPD-HXUWFJFHSA-N 0 0 452.580 4.517 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001446330606 1066692089 /nfs/dbraw/zinc/69/20/89/1066692089.db2.gz JBUQLMGNEPGDSC-SECBINFHSA-N 0 0 455.230 4.902 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CC[C@H]1[C@@H](C)n2nccc2N[C@H]1C ZINC001446332312 1066692126 /nfs/dbraw/zinc/69/21/26/1066692126.db2.gz GCFNMKXHIFEIAC-GVDBMIGSSA-N 0 0 456.978 4.795 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)c1 ZINC001492621416 1066691955 /nfs/dbraw/zinc/69/19/55/1066691955.db2.gz YADOUVQOVIIFPH-LJQANCHMSA-N 0 0 473.666 4.516 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)C)n3CCC(=O)Nc3cccc(Cl)c3C)C2)c1 ZINC001492621554 1066691982 /nfs/dbraw/zinc/69/19/82/1066691982.db2.gz ASTGSDDXMAIKGY-FQEVSTJZSA-N 0 0 484.048 4.814 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC001456796146 1066692212 /nfs/dbraw/zinc/69/22/12/1066692212.db2.gz WGWPUEKQNFOIFQ-UHFFFAOYSA-N 0 0 454.404 4.551 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccccc4C)n3CCSC(F)(F)F)CC2)c1 ZINC001492621967 1066692718 /nfs/dbraw/zinc/69/27/18/1066692718.db2.gz JSFHLXNSMOECMQ-UHFFFAOYSA-N 0 0 464.561 4.928 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCSCC(F)(F)F)C2)c1 ZINC001492621718 1066692818 /nfs/dbraw/zinc/69/28/18/1066692818.db2.gz HIFSIRJTRGYSLN-SFHVURJKSA-N 0 0 482.551 4.650 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1)NC(=O)OC(C)(C)C ZINC001545984642 1066692929 /nfs/dbraw/zinc/69/29/29/1066692929.db2.gz MTAXCWJRHQVQIW-GOSISDBHSA-N 0 0 463.026 4.924 20 0 JJADRN CN(C)c1ccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C(N)=O)c1 ZINC001446337516 1066693046 /nfs/dbraw/zinc/69/30/46/1066693046.db2.gz OKASVOYYJDLFIE-HSZRJFAPSA-N 0 0 453.995 4.966 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)on1 ZINC001456797128 1066693028 /nfs/dbraw/zinc/69/30/28/1066693028.db2.gz YQUVSACLGFBXCK-HXUWFJFHSA-N 0 0 455.967 4.806 20 0 JJADRN COCCOc1cncc(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC001456798265 1066693038 /nfs/dbraw/zinc/69/30/38/1066693038.db2.gz GWTACMGMJFFGSX-UHFFFAOYSA-N 0 0 457.324 4.701 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)Nc3nccs3)s2)cc1 ZINC001446334545 1066693066 /nfs/dbraw/zinc/69/30/66/1066693066.db2.gz PUKQDBYNTWTHER-KRWDZBQOSA-N 0 0 458.609 4.757 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 ZINC001446342678 1066693367 /nfs/dbraw/zinc/69/33/67/1066693367.db2.gz SESNWXXVWSIAER-UHFFFAOYSA-N 0 0 451.365 4.595 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)cc1 ZINC001456800198 1066693534 /nfs/dbraw/zinc/69/35/34/1066693534.db2.gz BBYADCKDCHUIHP-UHFFFAOYSA-N 0 0 452.942 4.918 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)c(Cl)c1 ZINC001456800764 1066693589 /nfs/dbraw/zinc/69/35/89/1066693589.db2.gz KVHBWMJVMXAONS-HNNXBMFYSA-N 0 0 453.341 4.501 20 0 JJADRN O=C(CCCc1ccc2c(c1)CCCC2)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001456800609 1066693599 /nfs/dbraw/zinc/69/35/99/1066693599.db2.gz GIMCTBCOQGNDLY-MUUNZHRXSA-N 0 0 454.614 4.932 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)c(Cl)c1 ZINC001456799683 1066693608 /nfs/dbraw/zinc/69/36/08/1066693608.db2.gz JHAUPPQJMGIUKM-UNMCSNQZSA-N 0 0 457.014 4.916 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[C@@H](c3ccccc3)C(C)C)CC2)c(Cl)c1 ZINC001456799666 1066693669 /nfs/dbraw/zinc/69/36/69/1066693669.db2.gz JHAUPPQJMGIUKM-IFMALSPDSA-N 0 0 457.014 4.916 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001446340725 1066693548 /nfs/dbraw/zinc/69/35/48/1066693548.db2.gz RKHRSADIWBYXKS-UHFFFAOYSA-N 0 0 452.234 4.738 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC001446340290 1066693578 /nfs/dbraw/zinc/69/35/78/1066693578.db2.gz XOEWNHMXQQSIJE-RHSMWYFYSA-N 0 0 452.418 4.644 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC4CCCC4)n3CCSCC(F)(F)F)CC2)c1 ZINC001492622820 1066694198 /nfs/dbraw/zinc/69/41/98/1066694198.db2.gz RMZISNITNVAJED-UHFFFAOYSA-N 0 0 470.609 4.728 20 0 JJADRN CCc1nnc(N2CCC[C@@H]2c2ccc(OC)cc2OC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001546510696 1066694334 /nfs/dbraw/zinc/69/43/34/1066694334.db2.gz KVGLVROFGZJCOW-GHTZIAJQSA-N 0 0 487.645 4.702 20 0 JJADRN Cc1nc(CNC(=O)c2ccc(COc3ccccc3Br)cc2)ccc1[C@@H](C)O ZINC001446342737 1066694361 /nfs/dbraw/zinc/69/43/61/1066694361.db2.gz YWHFCVUUNKHBDH-MRXNPFEDSA-N 0 0 455.352 4.715 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCCc3nc(C)cs3)CC2)c1 ZINC001492622840 1066694801 /nfs/dbraw/zinc/69/48/01/1066694801.db2.gz SVFQMMIKIRSYRP-UHFFFAOYSA-N 0 0 455.676 4.785 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[C@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492622832 1066694815 /nfs/dbraw/zinc/69/48/15/1066694815.db2.gz STYXHDSGRZWCDZ-IFMALSPDSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccccc4C)n3CCOCC(F)(F)C(F)F)CC2)c1 ZINC001492622966 1066694848 /nfs/dbraw/zinc/69/48/48/1066694848.db2.gz VZZHSWCGKIWYST-UHFFFAOYSA-N 0 0 494.537 4.592 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC001456803796 1066695215 /nfs/dbraw/zinc/69/52/15/1066695215.db2.gz OPWPDZJVLIRWCC-RUZDIDTESA-N 0 0 451.526 4.531 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1ccc2c(c1)NC(=O)CS2 ZINC001456803047 1066695316 /nfs/dbraw/zinc/69/53/16/1066695316.db2.gz QEJHDIIOZZJWHS-UHFFFAOYSA-N 0 0 456.321 4.933 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC4CCCC4)n3C[C@@](C)(O)CCC(C)C)CC2)c1 ZINC001492623262 1066695434 /nfs/dbraw/zinc/69/54/34/1066695434.db2.gz YRLLBCFUDUFPMA-SANMLTNESA-N 0 0 456.679 4.620 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(F)c3)CC2)c1 ZINC001492623118 1066695460 /nfs/dbraw/zinc/69/54/60/1066695460.db2.gz XMYXMUUADHMJKK-UHFFFAOYSA-N 0 0 472.584 4.645 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccccc3)CC2)c1 ZINC001492623023 1066695505 /nfs/dbraw/zinc/69/55/05/1066695505.db2.gz VBHRXXAPNKENLA-UHFFFAOYSA-N 0 0 450.631 4.757 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)c1C(C)C ZINC001446353937 1066695649 /nfs/dbraw/zinc/69/56/49/1066695649.db2.gz UQQHBTYCNOWKHS-UHFFFAOYSA-N 0 0 456.974 4.809 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)[C@H]1c1cccc(C)c1 ZINC001456804866 1066695717 /nfs/dbraw/zinc/69/57/17/1066695717.db2.gz BOWLXXPYRGNJIA-ZEQKJWHPSA-N 0 0 450.579 4.657 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2cccc(C)c2)c1 ZINC001456804958 1066695736 /nfs/dbraw/zinc/69/57/36/1066695736.db2.gz BOFSDXKVKNGZSG-IBGZPJMESA-N 0 0 453.560 4.695 20 0 JJADRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001456804576 1066695856 /nfs/dbraw/zinc/69/58/56/1066695856.db2.gz AZRMUGGRLFZYIK-NTKDMRAZSA-N 0 0 458.599 4.922 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccoc2C)c1 ZINC001492623714 1066696352 /nfs/dbraw/zinc/69/63/52/1066696352.db2.gz LTLOWKKJYKNZRG-UHFFFAOYSA-N 0 0 461.389 4.512 20 0 JJADRN CCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1 ZINC001446366376 1066696925 /nfs/dbraw/zinc/69/69/25/1066696925.db2.gz RCGCFUZNIFNXRD-UHFFFAOYSA-N 0 0 457.379 4.773 20 0 JJADRN Cc1ccc(NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1OCC1CCOCC1 ZINC001456807263 1066697225 /nfs/dbraw/zinc/69/72/25/1066697225.db2.gz IRNRTQJOCDZAST-HHHXNRCGSA-N 0 0 450.579 4.681 20 0 JJADRN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccsc2C1 ZINC001456808063 1066697247 /nfs/dbraw/zinc/69/72/47/1066697247.db2.gz WVULFWWERVXEKT-UHFFFAOYSA-N 0 0 450.944 4.540 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1OC ZINC001456808171 1066697263 /nfs/dbraw/zinc/69/72/63/1066697263.db2.gz XNXIZDNRACCQTR-OIISXLGYSA-N 0 0 483.403 4.517 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)Cc2c[nH]c3ccc(Br)cc23)n(-c2ccccc2)n1 ZINC001446376922 1066697695 /nfs/dbraw/zinc/69/76/95/1066697695.db2.gz HKCJPWUOJJHGIJ-OAHLLOKOSA-N 0 0 451.368 4.714 20 0 JJADRN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)[C@@H]1CSC(c2ccccc2O)=N1 ZINC001446378460 1066697789 /nfs/dbraw/zinc/69/77/89/1066697789.db2.gz LOEJGSQSFXZKFV-QFIPXVFZSA-N 0 0 452.526 4.503 20 0 JJADRN Cc1cnn(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C(C)(C)C)CC2)c1 ZINC001492626776 1066698024 /nfs/dbraw/zinc/69/80/24/1066698024.db2.gz TUZLWQCAFCYARR-NRFANRHFSA-N 0 0 497.688 4.780 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001446378620 1066698513 /nfs/dbraw/zinc/69/85/13/1066698513.db2.gz NNKVJJPXOLKLGW-HOYKHHGWSA-N 0 0 453.970 4.889 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1ccc(F)cc1Br)c1ccc(C(C)(C)C)cc1 ZINC001456811977 1066698689 /nfs/dbraw/zinc/69/86/89/1066698689.db2.gz JBWLFFSTFUJDJM-LJQANCHMSA-N 0 0 450.348 4.849 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001456810655 1066698692 /nfs/dbraw/zinc/69/86/92/1066698692.db2.gz HDYJTNWMEJDDCG-UHFFFAOYSA-N 0 0 458.408 4.968 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2csc(Br)c2)c1 ZINC001492627317 1066698725 /nfs/dbraw/zinc/69/87/25/1066698725.db2.gz UUJSWXRNBZDCNG-UHFFFAOYSA-N 0 0 492.834 4.659 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001446379947 1066699031 /nfs/dbraw/zinc/69/90/31/1066699031.db2.gz PEDBANLOJQWIIS-ZBLYBZFDSA-N 0 0 459.590 4.791 20 0 JJADRN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(SC2CCCC2)cc1 ZINC001446380497 1066699035 /nfs/dbraw/zinc/69/90/35/1066699035.db2.gz SMDGOEKVMZCUCH-UHFFFAOYSA-N 0 0 458.527 4.657 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)cc1 ZINC001446379935 1066699128 /nfs/dbraw/zinc/69/91/28/1066699128.db2.gz PDFWSOJOMCUYGA-HNNXBMFYSA-N 0 0 450.560 4.825 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)c1 ZINC001492628074 1066699161 /nfs/dbraw/zinc/69/91/61/1066699161.db2.gz VEXBRGDHOCGBBT-VQTJNVASSA-N 0 0 468.671 4.690 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccc(Cl)c2)c1 ZINC001492628388 1066699204 /nfs/dbraw/zinc/69/92/04/1066699204.db2.gz FBHWCIQGHFTOAS-NHCUHLMSSA-N 0 0 457.022 4.692 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384104 1066699988 /nfs/dbraw/zinc/69/99/88/1066699988.db2.gz CUQTYVSCKRXGFH-MAUKXSAKSA-N 0 0 453.421 4.879 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(COc3ccc(C)c(C)c3)nnc1N(C)CCC(F)F)CCC2 ZINC001492628802 1066700060 /nfs/dbraw/zinc/70/00/60/1066700060.db2.gz NGLSGMLPGDJIKI-IBGZPJMESA-N 0 0 458.557 4.648 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)CC2=O)cc1 ZINC001456816141 1066700046 /nfs/dbraw/zinc/70/00/46/1066700046.db2.gz XIMBTVOBKXBJQK-JOCHJYFZSA-N 0 0 450.579 4.745 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)CC2=O)cc1 ZINC001456816147 1066700122 /nfs/dbraw/zinc/70/01/22/1066700122.db2.gz XIMBTVOBKXBJQK-QFIPXVFZSA-N 0 0 450.579 4.745 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F ZINC001446389274 1066700348 /nfs/dbraw/zinc/70/03/48/1066700348.db2.gz RPTGNQUMFIIWKP-MRXNPFEDSA-N 0 0 458.362 4.642 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC001446389363 1066700437 /nfs/dbraw/zinc/70/04/37/1066700437.db2.gz GWWDVZQJDBACFS-UHFFFAOYSA-N 0 0 453.029 4.889 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001492629101 1066700682 /nfs/dbraw/zinc/70/06/82/1066700682.db2.gz TYESKZTXQBREPU-FQEVSTJZSA-N 0 0 485.658 4.562 20 0 JJADRN C[C@H](C(=O)Nc1ccnc(Oc2ccccc2Br)c1)N1Cc2ccccc2C1=O ZINC001456819555 1066700721 /nfs/dbraw/zinc/70/07/21/1066700721.db2.gz KFJVEDWVABCKEA-CQSZACIVSA-N 0 0 452.308 4.619 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001446390198 1066700968 /nfs/dbraw/zinc/70/09/68/1066700968.db2.gz ZXQVMQKQFCZKND-VFNWGFHPSA-N 0 0 453.377 4.822 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(F)c1F ZINC001446390645 1066701058 /nfs/dbraw/zinc/70/10/58/1066701058.db2.gz IFAWPSZEILNWAE-ZDUSSCGKSA-N 0 0 450.894 4.910 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492629613 1066701421 /nfs/dbraw/zinc/70/14/21/1066701421.db2.gz DVICJKJKDBJCMX-IBGZPJMESA-N 0 0 482.654 4.818 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(F)cc2)s1 ZINC001492629553 1066701488 /nfs/dbraw/zinc/70/14/88/1066701488.db2.gz CQICSACVWYLWKA-INIZCTEOSA-N 0 0 452.559 4.563 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492629508 1066701536 /nfs/dbraw/zinc/70/15/36/1066701536.db2.gz CFWOKJGRBZDHKT-IAGOWNOFSA-N 0 0 487.695 4.790 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC001446395161 1066701513 /nfs/dbraw/zinc/70/15/13/1066701513.db2.gz MWSAMXNQPYYTBW-RRFJBIMHSA-N 0 0 461.550 4.951 20 0 JJADRN C[C@@](O)(C(=O)NCCc1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001446392399 1066701519 /nfs/dbraw/zinc/70/15/19/1066701519.db2.gz LLJACPMCXDULPK-KRWDZBQOSA-N 0 0 450.682 4.688 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492629701 1066701930 /nfs/dbraw/zinc/70/19/30/1066701930.db2.gz GPGDQWNYCDHKFU-GFCCVEGCSA-N 0 0 481.573 4.964 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001492629798 1066701962 /nfs/dbraw/zinc/70/19/62/1066701962.db2.gz HWDKAFWFUMJDJI-GOEBONIOSA-N 0 0 476.444 4.891 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@H](C)c2ccc3c(c2)OCO3)c2ccc(OC)cc2)n1 ZINC001456827820 1066702312 /nfs/dbraw/zinc/70/23/12/1066702312.db2.gz BHBCDGJCCQDQPJ-CQSZACIVSA-N 0 0 454.504 4.526 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001545985647 1066702511 /nfs/dbraw/zinc/70/25/11/1066702511.db2.gz JCNHNBOPNOFMOO-UHFFFAOYSA-N 0 0 452.864 4.835 20 0 JJADRN O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001456827915 1066702536 /nfs/dbraw/zinc/70/25/36/1066702536.db2.gz YWWUXWDRGRYWSF-HNNXBMFYSA-N 0 0 455.234 4.965 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc21 ZINC001456832306 1066702999 /nfs/dbraw/zinc/70/29/99/1066702999.db2.gz QBVDKSYEORSFEI-WSROAFLRSA-N 0 0 459.365 4.911 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492630045 1066703006 /nfs/dbraw/zinc/70/30/06/1066703006.db2.gz MTBPHLCZCJZZQZ-HNNXBMFYSA-N 0 0 482.013 4.637 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cc(Br)cc(OC(C)C)c2)o1 ZINC001456835485 1066703568 /nfs/dbraw/zinc/70/35/68/1066703568.db2.gz VWIXCMYAKAOFNN-FQEVSTJZSA-N 0 0 456.340 4.868 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cc(Br)cc(OC(C)C)c2)o1 ZINC001456835498 1066703602 /nfs/dbraw/zinc/70/36/02/1066703602.db2.gz VWIXCMYAKAOFNN-HXUWFJFHSA-N 0 0 456.340 4.868 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630187 1066703435 /nfs/dbraw/zinc/70/34/35/1066703435.db2.gz PMNBWHPRLMECBA-MJGOQNOKSA-N 0 0 482.654 4.865 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(F)c2)CCO1 ZINC001546085192 1066704025 /nfs/dbraw/zinc/70/40/25/1066704025.db2.gz GMFOUGLMWMITQX-QFIPXVFZSA-N 0 0 476.394 4.813 20 0 JJADRN COc1ccc(CN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccncc2)cc1 ZINC001456840133 1066704038 /nfs/dbraw/zinc/70/40/38/1066704038.db2.gz JSKSIIMINRVUPW-UHFFFAOYSA-N 0 0 458.967 4.531 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CSc2cccc(OC)c2)c2ccc(OC)cc2)n1 ZINC001456836988 1066704050 /nfs/dbraw/zinc/70/40/50/1066704050.db2.gz OMIHYRRIDQXDIF-UHFFFAOYSA-N 0 0 458.561 4.794 20 0 JJADRN C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC001446426804 1066704108 /nfs/dbraw/zinc/70/41/08/1066704108.db2.gz IHVIZFMCYUIWML-INIZCTEOSA-N 0 0 450.332 4.610 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc2cccnc2cc1Br ZINC001446428109 1066704116 /nfs/dbraw/zinc/70/41/16/1066704116.db2.gz CNOAWGVMQNEOGD-AWEZNQCLSA-N 0 0 450.377 4.649 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492630399 1066704528 /nfs/dbraw/zinc/70/45/28/1066704528.db2.gz TZXINISHTSCHMB-MRVWCRGKSA-N 0 0 481.489 4.935 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492630400 1066704608 /nfs/dbraw/zinc/70/46/08/1066704608.db2.gz TZXINISHTSCHMB-XBFCOCLRSA-N 0 0 481.489 4.935 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492630443 1066704661 /nfs/dbraw/zinc/70/46/61/1066704661.db2.gz UMDYFNYZSUNHAZ-JXFKEZNVSA-N 0 0 473.668 4.542 20 0 JJADRN Cc1ccc2c(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)cc(-c3cnn(C)c3)nc2c1C ZINC001446428349 1066704648 /nfs/dbraw/zinc/70/46/48/1066704648.db2.gz PJSVNONGHJTCCY-XMMPIXPASA-N 0 0 456.590 4.784 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCCC3)cc21 ZINC001456843922 1066705151 /nfs/dbraw/zinc/70/51/51/1066705151.db2.gz VAPUQAMCNXAMQE-NRFANRHFSA-N 0 0 458.603 4.581 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)C2)s1 ZINC001492630561 1066705138 /nfs/dbraw/zinc/70/51/38/1066705138.db2.gz WWHATQMXYVWDHN-UONOGXRCSA-N 0 0 463.449 4.851 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001492630581 1066705515 /nfs/dbraw/zinc/70/55/15/1066705515.db2.gz XEOXKJWZXQACFB-APWZRJJASA-N 0 0 466.655 4.513 20 0 JJADRN Cc1c(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cnn1-c1ccccc1F ZINC001446433106 1066705616 /nfs/dbraw/zinc/70/56/16/1066705616.db2.gz VVBAJKXXDPKHEE-UHFFFAOYSA-N 0 0 456.934 4.593 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NC2CC3(C2)COC(C)(C)C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456849328 1066705700 /nfs/dbraw/zinc/70/57/00/1066705700.db2.gz OWVDKWGHHLNJLO-ICPFMWHESA-N 0 0 450.982 4.631 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sc(C)nc2C)CCO1 ZINC001546085257 1066705719 /nfs/dbraw/zinc/70/57/19/1066705719.db2.gz HVBUWWHJLQXIFG-JOCHJYFZSA-N 0 0 463.554 4.673 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492630893 1066706092 /nfs/dbraw/zinc/70/60/92/1066706092.db2.gz BYPHYTFWIQGKCT-AEFFLSMTSA-N 0 0 476.691 4.881 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630871 1066706287 /nfs/dbraw/zinc/70/62/87/1066706287.db2.gz BRADAWHWLZMJDX-BHIYHBOVSA-N 0 0 490.674 4.582 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sc(C)nc2C)CCO1 ZINC001546085258 1066706292 /nfs/dbraw/zinc/70/62/92/1066706292.db2.gz HVBUWWHJLQXIFG-QFIPXVFZSA-N 0 0 463.554 4.673 20 0 JJADRN Cc1cc(O)ccc1NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446459443 1066706243 /nfs/dbraw/zinc/70/62/43/1066706243.db2.gz MCRXSZOQKDPGHF-QFIPXVFZSA-N 0 0 453.336 4.502 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492631255 1066707309 /nfs/dbraw/zinc/70/73/09/1066707309.db2.gz IDGBNDARRGBTPD-SWLSCSKDSA-N 0 0 482.473 4.811 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492631199 1066707317 /nfs/dbraw/zinc/70/73/17/1066707317.db2.gz HRJYYYPVBMLLFD-FOIQADDNSA-N 0 0 461.582 4.577 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492631201 1066707344 /nfs/dbraw/zinc/70/73/44/1066707344.db2.gz HRJYYYPVBMLLFD-QRWLVFNGSA-N 0 0 461.582 4.577 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC001456858091 1066707363 /nfs/dbraw/zinc/70/73/63/1066707363.db2.gz XUZNHDVCGCJBLU-XMMPIXPASA-N 0 0 455.938 4.902 20 0 JJADRN COc1ccc([C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)c2ccccc2Cl)c(C)c1 ZINC001456858857 1066707410 /nfs/dbraw/zinc/70/74/10/1066707410.db2.gz IBQRMHHALYPYCV-MORLXBONSA-N 0 0 454.998 4.948 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492631074 1066707451 /nfs/dbraw/zinc/70/74/51/1066707451.db2.gz FOHACEQUBFNURP-UZLBHIALSA-N 0 0 460.047 4.952 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1F ZINC001456860784 1066707798 /nfs/dbraw/zinc/70/77/98/1066707798.db2.gz VNCGZECCRPAMQI-INIZCTEOSA-N 0 0 459.539 4.936 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001492631295 1066707927 /nfs/dbraw/zinc/70/79/27/1066707927.db2.gz ITBSCJHANNACFY-CABCVRRESA-N 0 0 461.582 4.719 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631392 1066707937 /nfs/dbraw/zinc/70/79/37/1066707937.db2.gz JWPHMAUQVRLAAB-IEBWSBKVSA-N 0 0 476.691 4.786 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545986429 1066708048 /nfs/dbraw/zinc/70/80/48/1066708048.db2.gz FQKXXWRJPGNHCF-XBYSBRQOSA-N 0 0 499.656 4.789 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986486 1066708086 /nfs/dbraw/zinc/70/80/86/1066708086.db2.gz GKRAYNCUDRGNEN-PZJWPPBQSA-N 0 0 493.574 4.608 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1)OC ZINC001545986391 1066708100 /nfs/dbraw/zinc/70/81/00/1066708100.db2.gz FELWYVLWFRVGQF-FPOVZHCZSA-N 0 0 463.667 4.833 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1)OC ZINC001545986440 1066708108 /nfs/dbraw/zinc/70/81/08/1066708108.db2.gz FSPGZTPKMCJTFR-RTWAWAEBSA-N 0 0 463.667 4.690 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)ccc2c1 ZINC001456860854 1066708350 /nfs/dbraw/zinc/70/83/50/1066708350.db2.gz VPAAGOVFJBPSQU-XJCBTKLQSA-N 0 0 452.551 4.589 20 0 JJADRN Cc1cc(C(C)(C)C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1Br ZINC001456862268 1066708361 /nfs/dbraw/zinc/70/83/61/1066708361.db2.gz LTNQKZDSLMQHEW-HNNXBMFYSA-N 0 0 452.393 4.810 20 0 JJADRN CO[C@@H](CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C(C)(C)C ZINC001456862325 1066708393 /nfs/dbraw/zinc/70/83/93/1066708393.db2.gz LYIYTDSDCVVTON-LBPRGKRZSA-N 0 0 453.839 4.970 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001545986640 1066708485 /nfs/dbraw/zinc/70/84/85/1066708485.db2.gz IMUDXXXVPZIGJJ-PUHATCMVSA-N 0 0 467.658 4.845 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2c(C)cccc2C1)NC(=O)OC(C)(C)C ZINC001545986560 1066708629 /nfs/dbraw/zinc/70/86/29/1066708629.db2.gz HPHBGBKEFRIBCV-IFMALSPDSA-N 0 0 469.630 4.694 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)C1 ZINC001456862451 1066709061 /nfs/dbraw/zinc/70/90/61/1066709061.db2.gz MDXZYJHXPXTJJQ-YADARESESA-N 0 0 457.412 4.672 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC001492631764 1066709014 /nfs/dbraw/zinc/70/90/14/1066709014.db2.gz QVBSWOYWBVSWHN-LJQANCHMSA-N 0 0 489.649 4.524 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545986775 1066709084 /nfs/dbraw/zinc/70/90/84/1066709084.db2.gz KBXDOCAOSFSAFV-GUDVDZBRSA-N 0 0 467.680 4.545 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC[C@H]1c1ccc(C)o1 ZINC001446485207 1066709552 /nfs/dbraw/zinc/70/95/52/1066709552.db2.gz HEXBKCQBAZXTEH-MLNNCEHLSA-N 0 0 458.530 4.504 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001446483689 1066709583 /nfs/dbraw/zinc/70/95/83/1066709583.db2.gz DHCSIKYNHNPNJF-WIYYLYMNSA-N 0 0 456.949 4.912 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC001446486159 1066709598 /nfs/dbraw/zinc/70/95/98/1066709598.db2.gz JLMAXICEADFSSQ-JTHBVZDNSA-N 0 0 453.583 4.835 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC001446486129 1066709641 /nfs/dbraw/zinc/70/96/41/1066709641.db2.gz JLMAXICEADFSSQ-GGAORHGYSA-N 0 0 453.583 4.835 20 0 JJADRN COc1ccc(OC(=O)c2cc(I)cc(C(F)(F)F)c2)cc1OC ZINC001456865930 1066709664 /nfs/dbraw/zinc/70/96/64/1066709664.db2.gz NERXZUSFOZELRT-UHFFFAOYSA-N 0 0 452.166 4.546 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492632287 1066709950 /nfs/dbraw/zinc/70/99/50/1066709950.db2.gz AUSMUOWGOMDAPA-IEBWSBKVSA-N 0 0 468.671 4.800 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446487809 1066710247 /nfs/dbraw/zinc/71/02/47/1066710247.db2.gz PKVNWZGDLBCCSL-UXHICEINSA-N 0 0 452.389 4.936 20 0 JJADRN C[C@](Cc1cccc(Br)c1)(NC(=O)c1cccn(C2CC2)c1=O)c1ccccc1 ZINC001456867299 1066710249 /nfs/dbraw/zinc/71/02/49/1066710249.db2.gz ZRDCUSNWMYJPHU-XMMPIXPASA-N 0 0 451.364 4.834 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001446499307 1066710574 /nfs/dbraw/zinc/71/05/74/1066710574.db2.gz RTXNVOFXZSWGPD-GOSISDBHSA-N 0 0 456.315 4.652 20 0 JJADRN Cc1ccc(OC(=O)CCCc2nc(-c3cccs3)no2)c(I)c1 ZINC001456869257 1066710699 /nfs/dbraw/zinc/71/06/99/1066710699.db2.gz SAFHBSCWPGMJMB-UHFFFAOYSA-N 0 0 454.289 4.639 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446490560 1066710610 /nfs/dbraw/zinc/71/06/10/1066710610.db2.gz XJRJOHYWHGNEIO-SJLPKXTDSA-N 0 0 456.739 4.735 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)s1 ZINC001492632470 1066710928 /nfs/dbraw/zinc/71/09/28/1066710928.db2.gz FTCYXJCKDNHBLD-NVXWUHKLSA-N 0 0 462.664 4.638 20 0 JJADRN Cc1cc(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)ccc1NC(=O)c1cccs1 ZINC001456869605 1066711137 /nfs/dbraw/zinc/71/11/37/1066711137.db2.gz YXTDXTJQTMHKED-UHFFFAOYSA-N 0 0 451.479 4.779 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001456871966 1066711478 /nfs/dbraw/zinc/71/14/78/1066711478.db2.gz JFZHFONJUHFPJB-WBVHZDCISA-N 0 0 452.393 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)CSc1ccc(Br)cc1 ZINC001456874565 1066711569 /nfs/dbraw/zinc/71/15/69/1066711569.db2.gz CTKABLCPOCXRJX-MRXNPFEDSA-N 0 0 457.434 4.837 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001456871954 1066711675 /nfs/dbraw/zinc/71/16/75/1066711675.db2.gz JFZHFONJUHFPJB-DOTOQJQBSA-N 0 0 452.393 4.793 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(Br)cc3)nnc2N(C)C2CC2)s1 ZINC001492632819 1066712044 /nfs/dbraw/zinc/71/20/44/1066712044.db2.gz NLXVDDNPLVVJME-CYBMUJFWSA-N 0 0 462.417 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1n[nH]c2c1cccc2Cl ZINC001446507969 1066712287 /nfs/dbraw/zinc/71/22/87/1066712287.db2.gz WKXQQGIWEFVLPR-SFHVURJKSA-N 0 0 453.930 4.772 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCC[C@H](C)C2)s1 ZINC001492632931 1066712431 /nfs/dbraw/zinc/71/24/31/1066712431.db2.gz QJVQHGKGBKHZGP-JZXOWHBKSA-N 0 0 472.684 4.853 20 0 JJADRN CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001456881434 1066713265 /nfs/dbraw/zinc/71/32/65/1066713265.db2.gz FCGURGBUTNFHQX-CVDCTZTESA-N 0 0 459.384 4.977 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)Oc1ccc(Br)cc1 ZINC001456881045 1066713306 /nfs/dbraw/zinc/71/33/06/1066713306.db2.gz RLKYTTUZIOPQMR-XIKOKIGWSA-N 0 0 453.174 4.825 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCCO[C@H](C)C2)s1 ZINC001492633262 1066713386 /nfs/dbraw/zinc/71/33/86/1066713386.db2.gz XPIYOAXZLWZRQV-RTBURBONSA-N 0 0 455.628 4.658 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)C2 ZINC001446518809 1066713533 /nfs/dbraw/zinc/71/35/33/1066713533.db2.gz SJUHUQXIAWIFGN-UHFFFAOYSA-N 0 0 450.579 4.967 20 0 JJADRN O=C(Nc1cccc2ccc(O)cc21)c1cnn(-c2ccccc2)c1I ZINC001446518675 1066713580 /nfs/dbraw/zinc/71/35/80/1066713580.db2.gz SYSAPBHLNGRXSP-UHFFFAOYSA-N 0 0 455.255 4.588 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC001446519309 1066714042 /nfs/dbraw/zinc/71/40/42/1066714042.db2.gz XVECLBMPRSJCIA-DEOSSOPVSA-N 0 0 451.523 4.788 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C ZINC001446519315 1066714124 /nfs/dbraw/zinc/71/41/24/1066714124.db2.gz XVECLBMPRSJCIA-XMMPIXPASA-N 0 0 451.523 4.788 20 0 JJADRN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456887907 1066714304 /nfs/dbraw/zinc/71/43/04/1066714304.db2.gz NSEXPUZJBAWZBI-SWYRRKHMSA-N 0 0 458.599 4.744 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633448 1066714390 /nfs/dbraw/zinc/71/43/90/1066714390.db2.gz ZUNRFRUBQNPJHX-YTZAWJCFSA-N 0 0 461.676 4.760 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)c1nccs1)OC ZINC001545987149 1066714723 /nfs/dbraw/zinc/71/47/23/1066714723.db2.gz PLROLSHZMIMFFC-GBESFXJTSA-N 0 0 492.690 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC001456889147 1066714819 /nfs/dbraw/zinc/71/48/19/1066714819.db2.gz OGFWRLZIVJDXHZ-QSAZIKIQSA-N 0 0 450.526 4.832 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520146 1066714802 /nfs/dbraw/zinc/71/48/02/1066714802.db2.gz YPHCGKDCPPXFSV-XDHUDOTRSA-N 0 0 452.002 4.806 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)nc1I ZINC001456887944 1066714902 /nfs/dbraw/zinc/71/49/02/1066714902.db2.gz ZFPDVQMBTJLARA-QGZVFWFLSA-N 0 0 450.320 4.679 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CCC4)n3C[C@H](C)CNC(=O)OC(C)(C)C)CC2)s1 ZINC001492633496 1066714943 /nfs/dbraw/zinc/71/49/43/1066714943.db2.gz CZCKTKIELCUYIW-MRXNPFEDSA-N 0 0 474.675 4.855 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(C)(C)O)c3)CC2)s1 ZINC001492633547 1066715047 /nfs/dbraw/zinc/71/50/47/1066715047.db2.gz FUFRICRIJCXTEZ-UHFFFAOYSA-N 0 0 453.656 4.901 20 0 JJADRN O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525037 1066715330 /nfs/dbraw/zinc/71/53/30/1066715330.db2.gz ACUALAZNIKNWPL-AZGAKELHSA-N 0 0 452.957 4.836 20 0 JJADRN O=C(CSC[C@H]1CCCCO1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446526153 1066715475 /nfs/dbraw/zinc/71/54/75/1066715475.db2.gz FNPIIMJEUFIJSH-ILBGXUMGSA-N 0 0 459.055 4.876 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C4CC4)n3CCCN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633913 1066715569 /nfs/dbraw/zinc/71/55/69/1066715569.db2.gz UGQNGGWXPBXLOL-UHFFFAOYSA-N 0 0 460.648 4.561 20 0 JJADRN Cc1cc(C)n(CCCC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001446529057 1066715882 /nfs/dbraw/zinc/71/58/82/1066715882.db2.gz NPWXZTWTYUISTC-SANMLTNESA-N 0 0 451.014 4.867 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001492634119 1066716009 /nfs/dbraw/zinc/71/60/09/1066716009.db2.gz CBFCQCWFEQDSQD-IBGZPJMESA-N 0 0 456.562 4.804 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001492634120 1066716020 /nfs/dbraw/zinc/71/60/20/1066716020.db2.gz CBFCQCWFEQDSQD-LJQANCHMSA-N 0 0 456.562 4.804 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001492634007 1066716104 /nfs/dbraw/zinc/71/61/04/1066716104.db2.gz XGLWZCCRGKUWLH-HXUWFJFHSA-N 0 0 492.407 4.559 20 0 JJADRN CCN(CC)C(=O)CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446529050 1066716114 /nfs/dbraw/zinc/71/61/14/1066716114.db2.gz NKVHNLLDJUNABE-AREMUKBSSA-N 0 0 456.030 4.612 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NCc3cc(N(C)C)nc4ccccc34)CC2(Cl)Cl)cc1 ZINC001456894587 1066716374 /nfs/dbraw/zinc/71/63/74/1066716374.db2.gz SXZUJKRFWCRDDY-QHCPKHFHSA-N 0 0 458.389 4.831 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCO)CCO1 ZINC001546085504 1066716447 /nfs/dbraw/zinc/71/64/47/1066716447.db2.gz MHXOHANLZJOGJV-HXUWFJFHSA-N 0 0 471.827 4.529 20 0 JJADRN CO[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001446531383 1066716501 /nfs/dbraw/zinc/71/65/01/1066716501.db2.gz OGTKWYDJHYMASJ-QDXKRRSBSA-N 0 0 456.505 4.782 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOCC1CC1 ZINC001492634325 1066716553 /nfs/dbraw/zinc/71/65/53/1066716553.db2.gz KEUOKMMLYSQZLF-UHFFFAOYSA-N 0 0 477.378 4.968 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001492634354 1066716566 /nfs/dbraw/zinc/71/65/66/1066716566.db2.gz LNOMURKMHPRGGO-UHFFFAOYSA-N 0 0 451.615 4.852 20 0 JJADRN CC(C)(C)Oc1ccncc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001446529901 1066716630 /nfs/dbraw/zinc/71/66/30/1066716630.db2.gz QGCFENUBWCNORW-UHFFFAOYSA-N 0 0 450.724 4.508 20 0 JJADRN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456897683 1066716855 /nfs/dbraw/zinc/71/68/55/1066716855.db2.gz KZEFJNMMKHBVKC-UHFFFAOYSA-N 0 0 451.748 4.507 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492634592 1066717275 /nfs/dbraw/zinc/71/72/75/1066717275.db2.gz SNNYTBHRFTWKRD-KBPBESRZSA-N 0 0 464.433 4.634 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N(Cc2csc(Br)c2)C2CC2)o1 ZINC001446531624 1066717184 /nfs/dbraw/zinc/71/71/84/1066717184.db2.gz CHLWWSDTGIKWRD-UHFFFAOYSA-N 0 0 452.399 4.934 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)N(CCc3ccc(C)cc3)CC(F)(F)F)CC2=O)c1 ZINC001456900324 1066717441 /nfs/dbraw/zinc/71/74/41/1066717441.db2.gz YMVRZILAQCUQPH-SFHVURJKSA-N 0 0 450.526 4.703 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492634791 1066717575 /nfs/dbraw/zinc/71/75/75/1066717575.db2.gz YFOQBILDMRSJQA-UHFFFAOYSA-N 0 0 489.805 4.989 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001492634875 1066717761 /nfs/dbraw/zinc/71/77/61/1066717761.db2.gz ZFHIPFADXBMULZ-IBGZPJMESA-N 0 0 470.017 4.845 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001456904020 1066717855 /nfs/dbraw/zinc/71/78/55/1066717855.db2.gz XJYARBRJQQGSIC-JOCQHMNTSA-N 0 0 454.354 4.990 20 0 JJADRN COc1cccc(OCCN2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)c1 ZINC001446539173 1066718295 /nfs/dbraw/zinc/71/82/95/1066718295.db2.gz JBZFORLTYZKJHU-UHFFFAOYSA-N 0 0 457.014 4.675 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)CCCC2)cc1 ZINC001446540340 1066718375 /nfs/dbraw/zinc/71/83/75/1066718375.db2.gz WIRMNYVSSMXVMH-VXKWHMMOSA-N 0 0 452.620 4.616 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CC1CCCC1)c1ccccc1 ZINC001446540637 1066718426 /nfs/dbraw/zinc/71/84/26/1066718426.db2.gz LMUMJHJRUSTNEH-LJQANCHMSA-N 0 0 455.407 4.710 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001492635612 1066718780 /nfs/dbraw/zinc/71/87/80/1066718780.db2.gz WSDBEXKJFYMGAI-NRFANRHFSA-N 0 0 460.525 4.914 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC001545987262 1066719022 /nfs/dbraw/zinc/71/90/22/1066719022.db2.gz QYDQPDAYVSWIDF-QUCCMNQESA-N 0 0 479.572 4.738 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987276 1066719441 /nfs/dbraw/zinc/71/94/41/1066719441.db2.gz RFZOFUSNKQIYLD-DNVJHFABSA-N 0 0 483.657 4.544 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492636045 1066720021 /nfs/dbraw/zinc/72/00/21/1066720021.db2.gz JJPFODKAVIJAER-UHFFFAOYSA-N 0 0 468.989 4.755 20 0 JJADRN C[C@](CO)(NC(=O)c1cc(CCc2ccccc2)ccc1O)c1cccc(Br)c1 ZINC001456913176 1066720066 /nfs/dbraw/zinc/72/00/66/1066720066.db2.gz ISDBOOHFOFMVQW-XMMPIXPASA-N 0 0 454.364 4.577 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC001456913079 1066720102 /nfs/dbraw/zinc/72/01/02/1066720102.db2.gz IHCNWRZESANQEL-GHMZBOCLSA-N 0 0 457.465 4.622 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 ZINC001446551633 1066720148 /nfs/dbraw/zinc/72/01/48/1066720148.db2.gz GWPDZNBGJYTQKA-DHIUTWEWSA-N 0 0 453.583 4.615 20 0 JJADRN CC[C@H](NC(=O)c1cc(I)ccc1F)c1nc(C(F)(F)F)cs1 ZINC001456914449 1066720178 /nfs/dbraw/zinc/72/01/78/1066720178.db2.gz KJMQFXIPCPFMCP-JTQLQIEISA-N 0 0 458.218 4.787 20 0 JJADRN O=C(N1CCCCC[C@H]1C[C@H](O)c1ccccc1)C(F)(F)c1ncccc1Br ZINC001446559984 1066720637 /nfs/dbraw/zinc/72/06/37/1066720637.db2.gz SHXGENXINUUJCZ-WMZOPIPTSA-N 0 0 453.327 4.831 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cnc(Br)cc2C)cc1 ZINC001456916145 1066720576 /nfs/dbraw/zinc/72/05/76/1066720576.db2.gz WBTHSBRPMLEPEL-UHFFFAOYSA-N 0 0 450.340 4.815 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@@H]2C)n1 ZINC001492636422 1066721118 /nfs/dbraw/zinc/72/11/18/1066721118.db2.gz CMLBSBXTUGLLDE-NFAWXSAZSA-N 0 0 463.449 4.849 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1 ZINC001456917534 1066721265 /nfs/dbraw/zinc/72/12/65/1066721265.db2.gz DRNOMMBWDWIPOA-RTBURBONSA-N 0 0 455.649 4.956 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC001456917065 1066721351 /nfs/dbraw/zinc/72/13/51/1066721351.db2.gz SOQYKUHYAHCKDX-IAGOWNOFSA-N 0 0 450.526 4.918 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCC2(F)F)CCO1 ZINC001546085605 1066721383 /nfs/dbraw/zinc/72/13/83/1066721383.db2.gz OPFSJIQTGXISON-AUUYWEPGSA-N 0 0 472.378 4.867 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H]2C(C)C)n1 ZINC001492636458 1066721217 /nfs/dbraw/zinc/72/12/17/1066721217.db2.gz DCQLEXCIADKBQM-OXQOHEQNSA-N 0 0 473.668 4.542 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492636711 1066721620 /nfs/dbraw/zinc/72/16/20/1066721620.db2.gz FPJGFZGOSUYIRZ-DOTOQJQBSA-N 0 0 494.587 4.513 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492636713 1066721644 /nfs/dbraw/zinc/72/16/44/1066721644.db2.gz FPJGFZGOSUYIRZ-NVXWUHKLSA-N 0 0 494.587 4.513 20 0 JJADRN C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)CNC(=O)OC(C)(C)C ZINC001446568903 1066721668 /nfs/dbraw/zinc/72/16/68/1066721668.db2.gz OZWXLHHWDNYWGG-GFCCVEGCSA-N 0 0 458.411 4.936 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCSC2)CCO1 ZINC001546085620 1066722369 /nfs/dbraw/zinc/72/23/69/1066722369.db2.gz OUGKFBIUVMLJOU-KSFYIVLOSA-N 0 0 452.571 4.695 20 0 JJADRN COc1cc(C)cc(CNC(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001446570885 1066722308 /nfs/dbraw/zinc/72/23/08/1066722308.db2.gz OWOSWRXTPVQEAR-IBGZPJMESA-N 0 0 458.558 4.795 20 0 JJADRN CCc1c(Br)cc(C(=O)NCc2ccnc(OC(C)C)c2)cc1Br ZINC001446570330 1066722407 /nfs/dbraw/zinc/72/24/07/1066722407.db2.gz QHRZCXOESBSZPG-UHFFFAOYSA-N 0 0 456.178 4.886 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001492636900 1066722705 /nfs/dbraw/zinc/72/27/05/1066722705.db2.gz HJBBDZTWRKHJTL-ZFWWWQNUSA-N 0 0 493.464 4.912 20 0 JJADRN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(C(=O)c2cccnc2)CC1 ZINC001446578263 1066722824 /nfs/dbraw/zinc/72/28/24/1066722824.db2.gz OZLXHOYGIXAAFP-UHFFFAOYSA-N 0 0 451.979 4.626 20 0 JJADRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001456923363 1066722821 /nfs/dbraw/zinc/72/28/21/1066722821.db2.gz QFZFRTVQSASBNH-UHFFFAOYSA-N 0 0 459.443 4.980 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492637163 1066723120 /nfs/dbraw/zinc/72/31/20/1066723120.db2.gz LWCFMCVPIAOVQG-OAHLLOKOSA-N 0 0 499.040 4.968 20 0 JJADRN Cc1nn(CC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001446580208 1066723061 /nfs/dbraw/zinc/72/30/61/1066723061.db2.gz AINIORDNBDFFNC-BLLLJJGKSA-N 0 0 454.518 4.572 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccoc2)n1 ZINC001492637275 1066723148 /nfs/dbraw/zinc/72/31/48/1066723148.db2.gz NYOCWVKXLCHVQK-ZDUSSCGKSA-N 0 0 475.416 4.844 20 0 JJADRN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446583435 1066723369 /nfs/dbraw/zinc/72/33/69/1066723369.db2.gz IAPYBGMVONPRPT-WBMJQRKESA-N 0 0 457.905 4.907 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)[nH]n2)c1C ZINC001446582442 1066723381 /nfs/dbraw/zinc/72/33/81/1066723381.db2.gz OJDJJZUWDBELLZ-INIZCTEOSA-N 0 0 450.587 4.848 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)[nH]n2)c1C ZINC001446582527 1066723419 /nfs/dbraw/zinc/72/34/19/1066723419.db2.gz OJDJJZUWDBELLZ-MRXNPFEDSA-N 0 0 450.587 4.848 20 0 JJADRN Cc1cccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)(C)C ZINC001456924235 1066723437 /nfs/dbraw/zinc/72/34/37/1066723437.db2.gz KLQKJNUJINCJRE-QFIPXVFZSA-N 0 0 455.555 4.847 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)n1 ZINC001492637403 1066723476 /nfs/dbraw/zinc/72/34/76/1066723476.db2.gz QPXJCZICGVDNIA-YLJYHZDGSA-N 0 0 455.628 4.830 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)n1 ZINC001492637408 1066723604 /nfs/dbraw/zinc/72/36/04/1066723604.db2.gz QTDZTXIBBGZRET-GHTZIAJQSA-N 0 0 479.654 4.936 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC001446587160 1066723896 /nfs/dbraw/zinc/72/38/96/1066723896.db2.gz VNCMGYGKOZZOSC-SJLPKXTDSA-N 0 0 453.391 4.646 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC001446587162 1066723960 /nfs/dbraw/zinc/72/39/60/1066723960.db2.gz VNCMGYGKOZZOSC-WMZOPIPTSA-N 0 0 453.391 4.646 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C)C2)n1 ZINC001492637546 1066724153 /nfs/dbraw/zinc/72/41/53/1066724153.db2.gz UKFCKZYTSPAQPH-ZFWWWQNUSA-N 0 0 462.417 4.501 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC(C)(C)C2)n1 ZINC001492637707 1066724514 /nfs/dbraw/zinc/72/45/14/1066724514.db2.gz XTUGOGIFGIKDHA-SJORKVTESA-N 0 0 487.695 4.790 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCCC2)n1 ZINC001492637698 1066724607 /nfs/dbraw/zinc/72/46/07/1066724607.db2.gz XPRDRBZCMXUBFK-MRXNPFEDSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)c2ccccc2)n1 ZINC001492637925 1066725134 /nfs/dbraw/zinc/72/51/34/1066725134.db2.gz AXKFEALPZAGDPK-ZWKOTPCHSA-N 0 0 463.655 4.948 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987674 1066725101 /nfs/dbraw/zinc/72/51/01/1066725101.db2.gz VNMWJFFUNGDSRU-MQSCRBSSSA-N 0 0 499.656 4.728 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCc2cnccn2)n1 ZINC001492637946 1066725195 /nfs/dbraw/zinc/72/51/95/1066725195.db2.gz BBKHGJAHMFQJHH-IBGZPJMESA-N 0 0 477.638 4.511 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)n1 ZINC001492637907 1066725220 /nfs/dbraw/zinc/72/52/20/1066725220.db2.gz AWOGSTFBLSIMKH-PKOBYXMFSA-N 0 0 490.674 4.536 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001456935565 1066725458 /nfs/dbraw/zinc/72/54/58/1066725458.db2.gz INAVLIYCJBSJPX-UHFFFAOYSA-N 0 0 453.413 4.683 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545987706 1066725765 /nfs/dbraw/zinc/72/57/65/1066725765.db2.gz VVVVPRLYBGLZIJ-OFNKIYASSA-N 0 0 460.594 4.769 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCOc2ccccc2Cl)c1 ZINC001446614251 1066725775 /nfs/dbraw/zinc/72/57/75/1066725775.db2.gz ZCRQDMSGTHVRQB-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCOCC2)n1 ZINC001492638176 1066725586 /nfs/dbraw/zinc/72/55/86/1066725586.db2.gz DMMTZEZMDBDVGB-MRXNPFEDSA-N 0 0 476.046 4.942 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1I ZINC001456937994 1066725928 /nfs/dbraw/zinc/72/59/28/1066725928.db2.gz JSXSQEDAWAAJSD-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492638326 1066725988 /nfs/dbraw/zinc/72/59/88/1066725988.db2.gz FYQTZLPCUTZQHF-INIZCTEOSA-N 0 0 484.651 4.846 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOC[C@@H]2C)n1 ZINC001492638230 1066726054 /nfs/dbraw/zinc/72/60/54/1066726054.db2.gz DARHHNWKRQTEHK-ZFWWWQNUSA-N 0 0 462.417 4.501 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC001456938649 1066726419 /nfs/dbraw/zinc/72/64/19/1066726419.db2.gz YHVXHPJKQLMURW-QUURXOELSA-N 0 0 474.605 4.775 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)c2nccs2)n1 ZINC001492638391 1066726513 /nfs/dbraw/zinc/72/65/13/1066726513.db2.gz GLSGORHYCWFJRT-HZPDHXFCSA-N 0 0 453.641 4.529 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001456938542 1066726601 /nfs/dbraw/zinc/72/66/01/1066726601.db2.gz XNDGMCNMFUBEBG-UHFFFAOYSA-N 0 0 456.590 4.737 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)n1 ZINC001492638750 1066726984 /nfs/dbraw/zinc/72/69/84/1066726984.db2.gz IWTJSHFBFPAPJA-IEBWSBKVSA-N 0 0 492.690 4.637 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001456945718 1066727578 /nfs/dbraw/zinc/72/75/78/1066727578.db2.gz YKKNAACESHNPSA-HSZRJFAPSA-N 0 0 450.485 4.909 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)n1 ZINC001492638889 1066727600 /nfs/dbraw/zinc/72/76/00/1066727600.db2.gz LBEZUBZOZXQURO-IEBWSBKVSA-N 0 0 469.655 4.948 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC001492638910 1066727696 /nfs/dbraw/zinc/72/76/96/1066727696.db2.gz JZRPNYNLOWUGKD-SFHVURJKSA-N 0 0 498.672 4.927 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(F)ccc2C1)NC(=O)OC(C)(C)C ZINC001545987872 1066727830 /nfs/dbraw/zinc/72/78/30/1066727830.db2.gz XTMOVCCCVIOOEI-RTWAWAEBSA-N 0 0 473.593 4.525 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2c(F)cc(Br)cc2F)c1 ZINC001456947764 1066728069 /nfs/dbraw/zinc/72/80/69/1066728069.db2.gz OOASROPIEXKPHA-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CN1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c2cc(Cl)ccc21 ZINC001456949945 1066728158 /nfs/dbraw/zinc/72/81/58/1066728158.db2.gz HRDYKOFTZCIDIW-UHFFFAOYSA-N 0 0 458.946 4.604 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492639144 1066728190 /nfs/dbraw/zinc/72/81/90/1066728190.db2.gz LQDSSKYOGNYNPS-ZBFHGGJFSA-N 0 0 458.598 4.508 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N1CCCCC[C@H]1c1ncon1 ZINC001446646770 1066728661 /nfs/dbraw/zinc/72/86/61/1066728661.db2.gz GOEHACGLBQJLSA-KRWDZBQOSA-N 0 0 453.324 4.531 20 0 JJADRN CCCCCN(CC(N)=O)C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 ZINC001446648257 1066728719 /nfs/dbraw/zinc/72/87/19/1066728719.db2.gz DPGDBCBGFNPGIV-UHFFFAOYSA-N 0 0 453.402 4.516 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)n1 ZINC001492639390 1066728706 /nfs/dbraw/zinc/72/87/06/1066728706.db2.gz OFSMOQOLCKCXKX-FUHWJXTLSA-N 0 0 476.046 4.909 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@@H](C)C2)n1 ZINC001492639289 1066728728 /nfs/dbraw/zinc/72/87/28/1066728728.db2.gz ORCQYBKJQUVBRX-HKUYNNGSSA-N 0 0 457.669 4.984 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546085768 1066728815 /nfs/dbraw/zinc/72/88/15/1066728815.db2.gz RTZVRQGBNPFWEM-XMMPIXPASA-N 0 0 495.590 4.623 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001456954501 1066729163 /nfs/dbraw/zinc/72/91/63/1066729163.db2.gz BFXGPGHTYLPIRA-LLVKDONJSA-N 0 0 459.125 4.574 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492639681 1066729159 /nfs/dbraw/zinc/72/91/59/1066729159.db2.gz QGXDYPJAVXQRTR-GOSISDBHSA-N 0 0 479.654 4.951 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001492639686 1066729198 /nfs/dbraw/zinc/72/91/98/1066729198.db2.gz SEFITIYHGNEACZ-NPMXOYFQSA-N 0 0 474.700 4.844 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n1 ZINC001492639682 1066729266 /nfs/dbraw/zinc/72/92/66/1066729266.db2.gz SEFITIYHGNEACZ-CMJOXMDJSA-N 0 0 474.700 4.844 20 0 JJADRN Cc1ccnc(OC2CCN(C(=O)CSc3nccn3-c3ccc(C(C)C)cc3)CC2)c1 ZINC001446653420 1066729316 /nfs/dbraw/zinc/72/93/16/1066729316.db2.gz JKILONATXHBCKV-UHFFFAOYSA-N 0 0 450.608 4.861 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(Br)c2)n1 ZINC001492639934 1066729656 /nfs/dbraw/zinc/72/96/56/1066729656.db2.gz SCSLDSYROWZCRF-CQSZACIVSA-N 0 0 484.427 4.703 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(CCCO)CC2)n1 ZINC001492639850 1066729738 /nfs/dbraw/zinc/72/97/38/1066729738.db2.gz UGELDDHZFJUBDV-QGZVFWFLSA-N 0 0 473.618 4.554 20 0 JJADRN Cc1ccnc(OC2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)n3C)CC2)c1 ZINC001446656361 1066729811 /nfs/dbraw/zinc/72/98/11/1066729811.db2.gz PHBXXILJGFFCNA-UHFFFAOYSA-N 0 0 454.368 4.842 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CC)c3ccc(F)cc3)cc2)cc1 ZINC001446656638 1066729851 /nfs/dbraw/zinc/72/98/51/1066729851.db2.gz MNFJHUDKCHVQCN-QHCPKHFHSA-N 0 0 456.539 4.906 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(C2CCCCC2)no1 ZINC001456960814 1066730198 /nfs/dbraw/zinc/73/01/98/1066730198.db2.gz LMXYLUKSEKWQOJ-KRWDZBQOSA-N 0 0 453.564 4.582 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC001492640087 1066730204 /nfs/dbraw/zinc/73/02/04/1066730204.db2.gz WXDVZGGFEBNZIV-KRWDZBQOSA-N 0 0 487.073 4.661 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC001446660479 1066730221 /nfs/dbraw/zinc/73/02/21/1066730221.db2.gz OTYBJDPTRLLNEJ-UHFFFAOYSA-N 0 0 451.283 4.645 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001456961582 1066730303 /nfs/dbraw/zinc/73/03/03/1066730303.db2.gz YDJBZAXICCDBHM-UHFFFAOYSA-N 0 0 457.571 4.503 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CCC1 ZINC001446665073 1066730376 /nfs/dbraw/zinc/73/03/76/1066730376.db2.gz WDEMEJOLZONSKU-UHFFFAOYSA-N 0 0 452.580 4.778 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456963392 1066730670 /nfs/dbraw/zinc/73/06/70/1066730670.db2.gz GOFGXMIJRUYCSB-VXNXHJTFSA-N 0 0 452.595 4.887 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492640115 1066730691 /nfs/dbraw/zinc/73/06/91/1066730691.db2.gz UHJSPWNYGDUHSH-GDBMZVCRSA-N 0 0 476.444 4.891 20 0 JJADRN CC(C)(C)Oc1c(F)cc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1F ZINC001446668392 1066730837 /nfs/dbraw/zinc/73/08/37/1066730837.db2.gz CBFQNGKKYBBHMN-MTJSOVHGSA-N 0 0 451.473 4.947 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC001492640373 1066731235 /nfs/dbraw/zinc/73/12/35/1066731235.db2.gz WSEUDPDGFWHCCC-GOSISDBHSA-N 0 0 470.662 4.897 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)c2)o1 ZINC001456965066 1066731274 /nfs/dbraw/zinc/73/12/74/1066731274.db2.gz WQDBVWCCBIPPQH-UHFFFAOYSA-N 0 0 459.955 4.678 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001456965013 1066731299 /nfs/dbraw/zinc/73/12/99/1066731299.db2.gz WFNUNGCWRFOGJT-SFTDATJTSA-N 0 0 458.599 4.843 20 0 JJADRN CNC(=O)c1cncc(/C=C/C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)c1 ZINC001456964430 1066731331 /nfs/dbraw/zinc/73/13/31/1066731331.db2.gz JKIHUKDQORWGQJ-CMDGGOBGSA-N 0 0 456.420 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC001446695774 1066731365 /nfs/dbraw/zinc/73/13/65/1066731365.db2.gz ARRNAWIIOYAPGB-OAQYLSRUSA-N 0 0 450.377 4.697 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(F)c(I)c2)cc1 ZINC001456966333 1066731761 /nfs/dbraw/zinc/73/17/61/1066731761.db2.gz RASBXPWWVRTZKL-LPHOPBHVSA-N 0 0 453.295 4.636 20 0 JJADRN CCOCc1ccc(NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)cc1 ZINC001456966768 1066731805 /nfs/dbraw/zinc/73/18/05/1066731805.db2.gz TWOXBRRGMLXSGA-FQEVSTJZSA-N 0 0 456.539 4.545 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC([C@H]3CCOC3)CC2)c1)c1cccc(Br)c1 ZINC001446698997 1066731743 /nfs/dbraw/zinc/73/17/43/1066731743.db2.gz QDJXASQGCIUCRJ-IBGZPJMESA-N 0 0 457.368 4.590 20 0 JJADRN O=C(N[C@@H](CO)C1CCCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001446697901 1066731762 /nfs/dbraw/zinc/73/17/62/1066731762.db2.gz JBUIDSQUBONFDY-KRWDZBQOSA-N 0 0 453.764 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC001446697227 1066731807 /nfs/dbraw/zinc/73/18/07/1066731807.db2.gz FQOAFXJIZAYXKT-IBGZPJMESA-N 0 0 456.406 4.759 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCN(c4cccc(F)c4F)CC3)nnc2C(C)(C)C)n1 ZINC001492640462 1066731837 /nfs/dbraw/zinc/73/18/37/1066731837.db2.gz ZQIAFOKQSXQZIC-OAHLLOKOSA-N 0 0 460.598 4.749 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C2CC2)n1 ZINC001492640630 1066732196 /nfs/dbraw/zinc/73/21/96/1066732196.db2.gz ZUYXCVWOUYQCST-OAHLLOKOSA-N 0 0 460.648 4.560 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492641216 1066732284 /nfs/dbraw/zinc/73/22/84/1066732284.db2.gz CZYZNMJPJPSBCS-IBVKSMDESA-N 0 0 496.681 4.703 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC001456967317 1066732271 /nfs/dbraw/zinc/73/22/71/1066732271.db2.gz DRNPRHCNMRARKM-KOSHJBKYSA-N 0 0 450.023 4.771 20 0 JJADRN CC(C)(C)Oc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001456969691 1066732345 /nfs/dbraw/zinc/73/23/45/1066732345.db2.gz FUGKCSOKFNNNMS-IBGZPJMESA-N 0 0 459.384 4.547 20 0 JJADRN COc1ccc([C@H](NC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 ZINC001446703528 1066732420 /nfs/dbraw/zinc/73/24/20/1066732420.db2.gz XBSNUQKLJLUANK-NHYWBVRUSA-N 0 0 459.490 4.771 20 0 JJADRN O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001446706362 1066732527 /nfs/dbraw/zinc/73/25/27/1066732527.db2.gz KRKUHZLJXFDXKN-NRFANRHFSA-N 0 0 453.876 4.934 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001456970331 1066732929 /nfs/dbraw/zinc/73/29/29/1066732929.db2.gz ADKLMMFBIUBFMI-UHFFFAOYSA-N 0 0 451.485 4.575 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)C)n3CCCCN(C)c3ccccc3)CCO2)n1 ZINC001492641104 1066733458 /nfs/dbraw/zinc/73/34/58/1066733458.db2.gz JHWKBRWPESSEOX-QFIPXVFZSA-N 0 0 468.671 4.736 20 0 JJADRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001456974342 1066733527 /nfs/dbraw/zinc/73/35/27/1066733527.db2.gz KQAZDNRECFEJLW-UHFFFAOYSA-N 0 0 451.878 4.853 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC001456973772 1066733566 /nfs/dbraw/zinc/73/35/66/1066733566.db2.gz VJRBSKOLLYTWLM-UHFFFAOYSA-N 0 0 458.967 4.686 20 0 JJADRN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001456976129 1066733808 /nfs/dbraw/zinc/73/38/08/1066733808.db2.gz LKKWQYZVTWPHMP-OAQYLSRUSA-N 0 0 457.361 4.647 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641150 1066733919 /nfs/dbraw/zinc/73/39/19/1066733919.db2.gz JZDKYHJBNYBPQW-BWKNWUBXSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccccc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492641141 1066733930 /nfs/dbraw/zinc/73/39/30/1066733930.db2.gz CETBGUAQXWWCGF-SFHVURJKSA-N 0 0 464.561 4.588 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001456977287 1066733903 /nfs/dbraw/zinc/73/39/03/1066733903.db2.gz PPVQTDFMYKHEDK-KRWDZBQOSA-N 0 0 454.571 4.522 20 0 JJADRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OCc1ccc(Br)cc1 ZINC001446720862 1066734201 /nfs/dbraw/zinc/73/42/01/1066734201.db2.gz YFCNWVIOHIFWQW-UHFFFAOYSA-N 0 0 452.308 4.540 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001446736686 1066734663 /nfs/dbraw/zinc/73/46/63/1066734663.db2.gz SFDCWCLSGIQCCF-JVDNRXPZSA-N 0 0 453.464 4.619 20 0 JJADRN CC(=O)c1ccc(CCNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001446730551 1066734800 /nfs/dbraw/zinc/73/48/00/1066734800.db2.gz MDICCHAGVNOTDE-UHFFFAOYSA-N 0 0 457.570 4.875 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001446736688 1066734814 /nfs/dbraw/zinc/73/48/14/1066734814.db2.gz SFDCWCLSGIQCCF-WPGBELRESA-N 0 0 453.464 4.619 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)n1 ZINC001492641567 1066734973 /nfs/dbraw/zinc/73/49/73/1066734973.db2.gz HIFJUIPXBIPNAV-QGZVFWFLSA-N 0 0 498.644 4.786 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC001446744078 1066735237 /nfs/dbraw/zinc/73/52/37/1066735237.db2.gz QKBXUOPLRWSXQR-UHFFFAOYSA-N 0 0 452.816 4.795 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)n1 ZINC001492641847 1066735433 /nfs/dbraw/zinc/73/54/33/1066735433.db2.gz KDWSZIDCGQMBMK-QZTJIDSGSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)CCO2)n1 ZINC001492642049 1066735501 /nfs/dbraw/zinc/73/55/01/1066735501.db2.gz QYILVBGXMLZSCM-SFHVURJKSA-N 0 0 481.544 4.734 20 0 JJADRN CCCc1c(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cnn1-c1cccc(F)c1 ZINC001446754346 1066735801 /nfs/dbraw/zinc/73/58/01/1066735801.db2.gz LMCJOKVVUUYMOJ-UHFFFAOYSA-N 0 0 458.419 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)NCCCNc1cccc(F)c1 ZINC001446747053 1066735846 /nfs/dbraw/zinc/73/58/46/1066735846.db2.gz BGWXEZJRCMJZCV-NRFANRHFSA-N 0 0 455.530 4.626 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN(C)CC(F)(F)F)C2)n1 ZINC001492642444 1066736368 /nfs/dbraw/zinc/73/63/68/1066736368.db2.gz PSKRZPDIWURZQW-MRXNPFEDSA-N 0 0 458.598 4.609 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCOCC(F)F)C2)n1 ZINC001492642494 1066736408 /nfs/dbraw/zinc/73/64/08/1066736408.db2.gz QDZDLLZFSIATPR-IBGZPJMESA-N 0 0 491.608 4.905 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCSCC(C)C)CCO2)n1 ZINC001492642420 1066736446 /nfs/dbraw/zinc/73/64/46/1066736446.db2.gz VSUQFICCVCMVFO-GOSISDBHSA-N 0 0 451.706 4.989 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCOCC(F)F)C2)n1 ZINC001492642497 1066736471 /nfs/dbraw/zinc/73/64/71/1066736471.db2.gz QDZDLLZFSIATPR-LJQANCHMSA-N 0 0 491.608 4.905 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001456988486 1066736450 /nfs/dbraw/zinc/73/64/50/1066736450.db2.gz AFNWHDYGZUGGPH-QFIPXVFZSA-N 0 0 454.567 4.850 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccnc(OCC(F)F)c1)CCO2 ZINC001456988558 1066736541 /nfs/dbraw/zinc/73/65/41/1066736541.db2.gz JSFBOMOGUHGVLJ-NRFANRHFSA-N 0 0 454.473 4.900 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cn4nc(C)cc4C)n3CCSCC(F)(F)F)C2)n1 ZINC001492642861 1066736728 /nfs/dbraw/zinc/73/67/28/1066736728.db2.gz UBDXPQCHEDABCW-KRWDZBQOSA-N 0 0 499.632 4.584 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCOCC(F)(F)C(F)F)CCO2)n1 ZINC001492642771 1066736818 /nfs/dbraw/zinc/73/68/18/1066736818.db2.gz ZRLPCOCUDGDEPH-KRWDZBQOSA-N 0 0 499.534 4.513 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456989566 1066736810 /nfs/dbraw/zinc/73/68/10/1066736810.db2.gz FVWCXAPHXVEGMM-IIBYNOLFSA-N 0 0 451.571 4.997 20 0 JJADRN COCC[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccco1 ZINC001446764152 1066737046 /nfs/dbraw/zinc/73/70/46/1066737046.db2.gz LFCLKBRDOQBMTD-HXUWFJFHSA-N 0 0 453.926 4.756 20 0 JJADRN Cc1csc(CCCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2)n1 ZINC001492643642 1066737364 /nfs/dbraw/zinc/73/73/64/1066737364.db2.gz PLKRAEGOGUCFGT-IBGZPJMESA-N 0 0 474.675 4.781 20 0 JJADRN COc1ccc(Br)c(CC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001456992062 1066737511 /nfs/dbraw/zinc/73/75/11/1066737511.db2.gz VRQSBJZVQBTLTR-OAHLLOKOSA-N 0 0 451.792 4.559 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)n1 ZINC001492642946 1066737793 /nfs/dbraw/zinc/73/77/93/1066737793.db2.gz WAMVSRQTZALWNN-QGZVFWFLSA-N 0 0 462.570 4.638 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCNC(=O)Cc3cccc(F)c3)C2)n1 ZINC001492643080 1066738235 /nfs/dbraw/zinc/73/82/35/1066738235.db2.gz YOHJSFBAVTWXET-HXUWFJFHSA-N 0 0 498.672 4.514 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3CC(C)(C)O)C2)n1 ZINC001492643099 1066738290 /nfs/dbraw/zinc/73/82/90/1066738290.db2.gz YUUCGQKMOBABGR-IRXDYDNUSA-N 0 0 476.046 4.991 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492643186 1066738682 /nfs/dbraw/zinc/73/86/82/1066738682.db2.gz BAHFXVVVNBVIEM-NRFANRHFSA-N 0 0 475.609 4.796 20 0 JJADRN O=C(N[C@H]1c2ccccc2OC[C@H]1CO)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001456999638 1066739141 /nfs/dbraw/zinc/73/91/41/1066739141.db2.gz SCLOHXAZKYTIOY-IVZQSRNASA-N 0 0 472.310 4.853 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2cccn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446788385 1066739134 /nfs/dbraw/zinc/73/91/34/1066739134.db2.gz XOZXCQBAPFLCLN-QPPBQGQZSA-N 0 0 453.945 4.809 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)Cn2ccc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446786186 1066739168 /nfs/dbraw/zinc/73/91/68/1066739168.db2.gz RCKFIVUKMHQBGO-WONHAXNMSA-N 0 0 455.961 4.937 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cnn(Cc3ccccc3)c2Br)c1 ZINC001446787567 1066739182 /nfs/dbraw/zinc/73/91/82/1066739182.db2.gz KMDJLSXHLCNWMK-IIBYNOLFSA-N 0 0 454.368 4.926 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)nnn1-c1cccc(Br)c1 ZINC001446788075 1066739201 /nfs/dbraw/zinc/73/92/01/1066739201.db2.gz AVJWVJPQCWFCHB-INIZCTEOSA-N 0 0 457.347 4.887 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c1 ZINC001457005911 1066739572 /nfs/dbraw/zinc/73/95/72/1066739572.db2.gz GHPFMMHXMWBKPN-UHFFFAOYSA-N 0 0 458.580 4.515 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCOc2cccc(I)c2)o1 ZINC001457004993 1066739634 /nfs/dbraw/zinc/73/96/34/1066739634.db2.gz DVOLGIYWLWBQFU-KBXCAEBGSA-N 0 0 453.320 4.961 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001446788819 1066739575 /nfs/dbraw/zinc/73/95/75/1066739575.db2.gz PHHYYKIHYIRWPH-HJWRWDBZSA-N 0 0 451.498 4.958 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC001492643610 1066739658 /nfs/dbraw/zinc/73/96/58/1066739658.db2.gz ODACRRJOLFDGDY-MSOLQXFVSA-N 0 0 487.592 4.508 20 0 JJADRN Cc1csc(CCCCn2c(N3C[C@@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492643607 1066739672 /nfs/dbraw/zinc/73/96/72/1066739672.db2.gz NXPNCWNHQGUBRJ-UQBPGWFLSA-N 0 0 475.703 4.979 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCC(Cn3cccn3)CC2)n1 ZINC001492643572 1066739705 /nfs/dbraw/zinc/73/97/05/1066739705.db2.gz MTTKKGNYUWUSSS-UHFFFAOYSA-N 0 0 455.676 4.768 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001457009287 1066740475 /nfs/dbraw/zinc/74/04/75/1066740475.db2.gz KGDIDUXFWXDIJQ-FOIQADDNSA-N 0 0 450.988 4.639 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1C(F)(F)F ZINC001457008666 1066740593 /nfs/dbraw/zinc/74/05/93/1066740593.db2.gz JVDWPDVZOVAFKR-INIZCTEOSA-N 0 0 454.514 4.761 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457008785 1066740601 /nfs/dbraw/zinc/74/06/01/1066740601.db2.gz JPJPTCGEBCPVSN-GOTSBHOMSA-N 0 0 453.652 4.726 20 0 JJADRN O=C(COc1cccc(I)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446794810 1066740597 /nfs/dbraw/zinc/74/05/97/1066740597.db2.gz NWQVGIKPTAPLDG-HNNXBMFYSA-N 0 0 453.295 4.605 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446792077 1066740657 /nfs/dbraw/zinc/74/06/57/1066740657.db2.gz KBNLSEIPRGBDMN-KBPBESRZSA-N 0 0 453.377 4.564 20 0 JJADRN Cc1csc(CCCCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(F)cc2F)n1 ZINC001492644012 1066740709 /nfs/dbraw/zinc/74/07/09/1066740709.db2.gz WCUMPLJKIPEJBF-UHFFFAOYSA-N 0 0 468.577 4.966 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001446801282 1066741653 /nfs/dbraw/zinc/74/16/53/1066741653.db2.gz WRZPEVXKDZFXOO-DYESRHJHSA-N 0 0 453.549 4.608 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC001446801301 1066741730 /nfs/dbraw/zinc/74/17/30/1066741730.db2.gz WRZPEVXKDZFXOO-UWJYYQICSA-N 0 0 453.549 4.608 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1C(F)(F)F ZINC001457011392 1066741806 /nfs/dbraw/zinc/74/18/06/1066741806.db2.gz PZYXLEOGOARVLV-DZGCQCFKSA-N 0 0 458.402 4.950 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1C(F)(F)F ZINC001457011396 1066741818 /nfs/dbraw/zinc/74/18/18/1066741818.db2.gz PZYXLEOGOARVLV-ZFWWWQNUSA-N 0 0 458.402 4.950 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)cc1 ZINC001446803403 1066742196 /nfs/dbraw/zinc/74/21/96/1066742196.db2.gz IHLWITFEGVFXMH-CQSZACIVSA-N 0 0 455.407 4.687 20 0 JJADRN Cc1cc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cnc1N1CCCC[C@@H]1C ZINC001446804155 1066742368 /nfs/dbraw/zinc/74/23/68/1066742368.db2.gz XEVAFEACXHCTON-RNLRLKOUSA-N 0 0 455.562 4.573 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001457013110 1066742388 /nfs/dbraw/zinc/74/23/88/1066742388.db2.gz PLIOLBICGAQJRZ-OAHLLOKOSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)CC2)n1 ZINC001492644592 1066742704 /nfs/dbraw/zinc/74/27/04/1066742704.db2.gz SVJZEPCIMOZXLN-UHFFFAOYSA-N 0 0 471.696 4.599 20 0 JJADRN COc1cc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc(OC)c1Br ZINC001446808343 1066742719 /nfs/dbraw/zinc/74/27/19/1066742719.db2.gz OCFMLRFLZBMRLU-HNNXBMFYSA-N 0 0 459.381 4.734 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446807123 1066742756 /nfs/dbraw/zinc/74/27/56/1066742756.db2.gz PULZZJBTNBEDBL-GDBMZVCRSA-N 0 0 457.398 4.855 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)C2=O)cc1 ZINC001457013755 1066742739 /nfs/dbraw/zinc/74/27/39/1066742739.db2.gz RIPLKLWCJVBCSY-GCJKJVERSA-N 0 0 451.567 4.506 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc(Br)c1O ZINC001446806104 1066742929 /nfs/dbraw/zinc/74/29/29/1066742929.db2.gz MYKCHPJXTHFDKK-HQQUCIOCSA-N 0 0 452.732 4.860 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC001457014698 1066743381 /nfs/dbraw/zinc/74/33/81/1066743381.db2.gz ARLQIQYHDMNWPW-HXUWFJFHSA-N 0 0 456.030 4.882 20 0 JJADRN COc1cc([C@@H](NC(=O)Cc2nc(C3CCCC3)cs2)C(F)(F)F)cc(OC)c1OC ZINC001446809807 1066743295 /nfs/dbraw/zinc/74/32/95/1066743295.db2.gz XERGJWVJGHTMPH-HXUWFJFHSA-N 0 0 458.502 4.789 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC001492644984 1066744380 /nfs/dbraw/zinc/74/43/80/1066744380.db2.gz HFNYNGLTIBGBTN-QGZVFWFLSA-N 0 0 480.569 4.538 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2CC(OC(C)(C)C)C2)c1 ZINC001492644958 1066744463 /nfs/dbraw/zinc/74/44/63/1066744463.db2.gz GSTHHIVBQSFEHC-UHFFFAOYSA-N 0 0 459.660 4.504 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001446816834 1066744433 /nfs/dbraw/zinc/74/44/33/1066744433.db2.gz XNXBFWWINAYYHF-RBSFLKMASA-N 0 0 455.393 4.718 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2c(OC)cccc2OC)c2ccccc2Cl)c(OC)c1 ZINC001457019091 1066744521 /nfs/dbraw/zinc/74/45/21/1066744521.db2.gz QPHWHHCZWFZFBU-VWLOTQADSA-N 0 0 455.938 4.823 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001492645052 1066744935 /nfs/dbraw/zinc/74/49/35/1066744935.db2.gz JJTOWUUVLMDZRK-MRXNPFEDSA-N 0 0 497.024 4.620 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001457019610 1066745061 /nfs/dbraw/zinc/74/50/61/1066745061.db2.gz NTEKJEGJSMCLBY-UHFFFAOYSA-N 0 0 456.365 4.968 20 0 JJADRN COc1ccc([C@H](NC(=O)CCCNC(=O)C(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446823127 1066745171 /nfs/dbraw/zinc/74/51/71/1066745171.db2.gz JAJPBAUWHIFWBC-OAQYLSRUSA-N 0 0 450.501 4.862 20 0 JJADRN Cc1csc(CCCCn2c(N3CCN(CCOc4ccccc4)CC3)nnc2C(C)(C)C)n1 ZINC001492645234 1066745501 /nfs/dbraw/zinc/74/55/01/1066745501.db2.gz OULHSXJAOLCKCU-UHFFFAOYSA-N 0 0 482.698 4.564 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(C3OCCO3)cc2)c2ccccc2Cl)c(OC)c1 ZINC001457020335 1066745406 /nfs/dbraw/zinc/74/54/06/1066745406.db2.gz RSROHQCAHMCJAT-QHCPKHFHSA-N 0 0 453.922 4.922 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCc2ccco2)c1 ZINC001492645160 1066745540 /nfs/dbraw/zinc/74/55/40/1066745540.db2.gz MYDLHLCUBYLBSO-HXUWFJFHSA-N 0 0 493.633 4.951 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)c1 ZINC001492645416 1066745891 /nfs/dbraw/zinc/74/58/91/1066745891.db2.gz VNBLCJKIQUGSGP-OAHLLOKOSA-N 0 0 472.018 4.747 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC001457022936 1066746020 /nfs/dbraw/zinc/74/60/20/1066746020.db2.gz PHGDILGFIAAJMN-UHFFFAOYSA-N 0 0 451.571 4.581 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC001457022766 1066746110 /nfs/dbraw/zinc/74/61/10/1066746110.db2.gz WJVSIZDVNPAKGQ-VMPITWQZSA-N 0 0 451.544 4.779 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCNc1cccc(Br)c1 ZINC001446834102 1066746129 /nfs/dbraw/zinc/74/61/29/1066746129.db2.gz GEEVWZJBXQMPRL-GFCCVEGCSA-N 0 0 458.219 4.921 20 0 JJADRN Cc1sc(Cl)nc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457024000 1066746419 /nfs/dbraw/zinc/74/64/19/1066746419.db2.gz COPPNYFTSZGRIL-KRWDZBQOSA-N 0 0 455.388 4.681 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ncccc2F)c1 ZINC001492645576 1066746514 /nfs/dbraw/zinc/74/65/14/1066746514.db2.gz ASAAUYJCMPHSGN-UHFFFAOYSA-N 0 0 491.390 4.655 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC001457023869 1066746498 /nfs/dbraw/zinc/74/64/98/1066746498.db2.gz BRJYGOQHMPDNIJ-RTBURBONSA-N 0 0 454.998 4.584 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccc3Br)n2CCC2(O)CCOCC2)c1 ZINC001492645768 1066747003 /nfs/dbraw/zinc/74/70/03/1066747003.db2.gz IMIXQBFESGIZLY-UHFFFAOYSA-N 0 0 491.455 4.646 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001492645759 1066747037 /nfs/dbraw/zinc/74/70/37/1066747037.db2.gz IDRVREVJAKVHRK-GDLZYMKVSA-N 0 0 498.516 4.600 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)Nc3cc(C)cc(Br)c3O)cc21 ZINC001446843345 1066747226 /nfs/dbraw/zinc/74/72/26/1066747226.db2.gz USTPMEPNVYOHPS-UHFFFAOYSA-N 0 0 454.118 4.968 20 0 JJADRN C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CC12CCC2 ZINC001446846417 1066747237 /nfs/dbraw/zinc/74/72/37/1066747237.db2.gz NQRCFLWVFMQRTH-LBPRGKRZSA-N 0 0 457.294 4.701 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001446846331 1066747248 /nfs/dbraw/zinc/74/72/48/1066747248.db2.gz BTJXZWPQGRQNFO-UHFFFAOYSA-N 0 0 456.568 4.866 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC001446843303 1066747297 /nfs/dbraw/zinc/74/72/97/1066747297.db2.gz DALDIROLBBOTFG-LJQANCHMSA-N 0 0 457.562 4.861 20 0 JJADRN Cc1ccc(OCCC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)c(Br)c1 ZINC001446845830 1066747313 /nfs/dbraw/zinc/74/73/13/1066747313.db2.gz LZRDERRGCUSTPJ-UHFFFAOYSA-N 0 0 458.352 4.614 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457027001 1066747428 /nfs/dbraw/zinc/74/74/28/1066747428.db2.gz GNQOXEYZYHDXJI-ZEQKJWHPSA-N 0 0 451.607 4.881 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)c1 ZINC001492645841 1066747513 /nfs/dbraw/zinc/74/75/13/1066747513.db2.gz LBRORDHHKNSCFC-QHCPKHFHSA-N 0 0 462.566 4.652 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC001446848091 1066747822 /nfs/dbraw/zinc/74/78/22/1066747822.db2.gz SNCIXWHQNOXYKZ-GOSISDBHSA-N 0 0 451.272 4.850 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC001446848093 1066747764 /nfs/dbraw/zinc/74/77/64/1066747764.db2.gz SNCIXWHQNOXYKZ-SFHVURJKSA-N 0 0 451.272 4.850 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446847719 1066747772 /nfs/dbraw/zinc/74/77/72/1066747772.db2.gz VXUGKMXOFQPPSC-FCHUYYIVSA-N 0 0 454.615 4.608 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001457028836 1066747890 /nfs/dbraw/zinc/74/78/90/1066747890.db2.gz PFNNMDUKAPZNLJ-OAHLLOKOSA-N 0 0 459.340 4.629 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001457028238 1066748024 /nfs/dbraw/zinc/74/80/24/1066748024.db2.gz IOVLSJKYNNLQKY-WIYYLYMNSA-N 0 0 459.384 4.882 20 0 JJADRN O=C(N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001446851873 1066748284 /nfs/dbraw/zinc/74/82/84/1066748284.db2.gz ZDOOLCLPTAUCQM-FQEVSTJZSA-N 0 0 459.399 4.977 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 ZINC001446852337 1066748374 /nfs/dbraw/zinc/74/83/74/1066748374.db2.gz ZRFBLVCOBRLWOO-UHFFFAOYSA-N 0 0 456.608 4.520 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)C)c1 ZINC001492646024 1066748582 /nfs/dbraw/zinc/74/85/82/1066748582.db2.gz RVWUSRZNYKKUHX-UHFFFAOYSA-N 0 0 462.623 4.580 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)N2CCOCC2)c1 ZINC001492646107 1066748597 /nfs/dbraw/zinc/74/85/97/1066748597.db2.gz VVNSJRWYBFMOBY-INIZCTEOSA-N 0 0 480.465 4.979 20 0 JJADRN CCc1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457030058 1066748634 /nfs/dbraw/zinc/74/86/34/1066748634.db2.gz QURDBGXLYLKPQL-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)CC2 ZINC001446854564 1066748991 /nfs/dbraw/zinc/74/89/91/1066748991.db2.gz HBOFECULMPMJGW-ZWKOTPCHSA-N 0 0 451.405 4.582 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c2ccccc12 ZINC001446861293 1066749478 /nfs/dbraw/zinc/74/94/78/1066749478.db2.gz BUAWSBJYHNMVRB-OAQYLSRUSA-N 0 0 456.464 4.788 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001492646530 1066749860 /nfs/dbraw/zinc/74/98/60/1066749860.db2.gz KURBGONUEOMFOX-RTBURBONSA-N 0 0 475.659 4.578 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(C)cc(Br)c1N ZINC001446865269 1066749923 /nfs/dbraw/zinc/74/99/23/1066749923.db2.gz BWWGFWSNUKBBHD-PIGZYNQJSA-N 0 0 456.178 4.608 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001446865441 1066749969 /nfs/dbraw/zinc/74/99/69/1066749969.db2.gz CYWPEVQMSAJAGT-JXALWOEJSA-N 0 0 454.998 4.866 20 0 JJADRN COc1cc2ncc(C(=O)Nc3ccc(Br)c4ccccc34)c(O)c2c(OC)c1 ZINC001446866826 1066750043 /nfs/dbraw/zinc/75/00/43/1066750043.db2.gz KTOQUXJGMAUHSA-UHFFFAOYSA-N 0 0 453.292 4.713 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001457038087 1066750123 /nfs/dbraw/zinc/75/01/23/1066750123.db2.gz XAMLSWRQDICHCB-KUHUBIRLSA-N 0 0 451.336 4.957 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCNc2ccccn2)c1 ZINC001492646993 1066750541 /nfs/dbraw/zinc/75/05/41/1066750541.db2.gz CJXJKCXPARPAPR-UHFFFAOYSA-N 0 0 453.641 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC001446871782 1066750513 /nfs/dbraw/zinc/75/05/13/1066750513.db2.gz UMGVBWSHPQTKOZ-XMMPIXPASA-N 0 0 458.643 4.994 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)cc1 ZINC001457044252 1066751182 /nfs/dbraw/zinc/75/11/82/1066751182.db2.gz KVQOUAPDJIKDOK-UHFFFAOYSA-N 0 0 458.322 4.982 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001446877049 1066751435 /nfs/dbraw/zinc/75/14/35/1066751435.db2.gz BLMJCAIQGGLHHU-UHFFFAOYSA-N 0 0 454.408 4.684 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnn(C)c3)n2CCc2nc(C(C)(C)C)cs2)c1 ZINC001492646249 1066751449 /nfs/dbraw/zinc/75/14/49/1066751449.db2.gz AOOBKPMNVYPKHZ-UHFFFAOYSA-N 0 0 455.657 4.682 20 0 JJADRN COc1ccc(CN(C(=O)c2c(C)[nH]nc2Br)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001446877924 1066751760 /nfs/dbraw/zinc/75/17/60/1066751760.db2.gz IACQQHBJDFDQLG-XJKSGUPXSA-N 0 0 450.377 4.719 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001492647598 1066751932 /nfs/dbraw/zinc/75/19/32/1066751932.db2.gz QLSBCCMISHRKOY-UHFFFAOYSA-N 0 0 478.569 4.988 20 0 JJADRN Cc1c(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c2cc(Br)ccc2nc1C1CC1 ZINC001457056814 1066752130 /nfs/dbraw/zinc/75/21/30/1066752130.db2.gz ZUWNFCXBDSWQHG-UHFFFAOYSA-N 0 0 458.400 4.655 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccnn3C3CC3)c2)cc1 ZINC001457059059 1066752251 /nfs/dbraw/zinc/75/22/51/1066752251.db2.gz SHOHETRSCSEPFP-UHFFFAOYSA-N 0 0 452.580 4.922 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001492647727 1066752515 /nfs/dbraw/zinc/75/25/15/1066752515.db2.gz VGTKRTGYJGMYKR-UHFFFAOYSA-N 0 0 458.513 4.732 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)s2)c(F)c1 ZINC001457060695 1066752631 /nfs/dbraw/zinc/75/26/31/1066752631.db2.gz INEVNTGOIBVAGE-BVGQSLNGSA-N 0 0 461.559 4.536 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1nc2c(cc(Br)cc2OC)s1 ZINC001457059871 1066752689 /nfs/dbraw/zinc/75/26/89/1066752689.db2.gz AITCQAWXHDPERQ-NSHDSACASA-N 0 0 458.337 4.521 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccccc1F ZINC001545990434 1066752778 /nfs/dbraw/zinc/75/27/78/1066752778.db2.gz SGNBSUCRJXLTFR-HUUCEWRRSA-N 0 0 499.534 4.890 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccccc1F ZINC001545990433 1066752859 /nfs/dbraw/zinc/75/28/59/1066752859.db2.gz SGNBSUCRJXLTFR-GJZGRUSLSA-N 0 0 499.534 4.890 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)NCC2(Cc3ccc(F)cc3)CC2)C1 ZINC001446881780 1066752874 /nfs/dbraw/zinc/75/28/74/1066752874.db2.gz BFIJHPYTMZFYLP-UHFFFAOYSA-N 0 0 454.542 4.708 20 0 JJADRN Cc1csc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)c1 ZINC001492648042 1066752845 /nfs/dbraw/zinc/75/28/45/1066752845.db2.gz HMUGOKHGGQCELQ-ZWKOTPCHSA-N 0 0 479.071 4.770 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cn2)C[C@H](C)O1 ZINC001446884767 1066753331 /nfs/dbraw/zinc/75/33/31/1066753331.db2.gz XHFCXAAAHDEMGF-GJZGRUSLSA-N 0 0 454.423 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC001457065595 1066753703 /nfs/dbraw/zinc/75/37/03/1066753703.db2.gz ZWYKGCYUDZILFB-ILXRZTDVSA-N 0 0 452.395 4.994 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)c2ccccc2)c1 ZINC001492648361 1066753938 /nfs/dbraw/zinc/75/39/38/1066753938.db2.gz RVFKQOPEDKRQQN-NRFANRHFSA-N 0 0 463.655 4.671 20 0 JJADRN Cc1csc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N(C)C)c1 ZINC001492648372 1066753965 /nfs/dbraw/zinc/75/39/65/1066753965.db2.gz SGOOPCCPLXWXDG-UHFFFAOYSA-N 0 0 464.060 4.708 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](Cc2ccccc2)C1)OC ZINC001545990452 1066754231 /nfs/dbraw/zinc/75/42/31/1066754231.db2.gz SMVHOIZHYTXPOB-ISKFKSNPSA-N 0 0 497.684 4.887 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001457069259 1066754563 /nfs/dbraw/zinc/75/45/63/1066754563.db2.gz MKHBZYPVCBPJLE-UHFFFAOYSA-N 0 0 456.340 4.771 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC3CC(C)(C)CC(C)(C)C3)ccc2NC1=O ZINC001446904848 1066754716 /nfs/dbraw/zinc/75/47/16/1066754716.db2.gz MWVSIXAAQLEOPU-HXUWFJFHSA-N 0 0 457.615 4.799 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC001446904292 1066754782 /nfs/dbraw/zinc/75/47/82/1066754782.db2.gz RLRWODZMBRANFX-RBUKOAKNSA-N 0 0 451.567 4.717 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)COCCO2)c1 ZINC001492648535 1066755101 /nfs/dbraw/zinc/75/51/01/1066755101.db2.gz ZNRMGMIRQYXOBY-JOCHJYFZSA-N 0 0 497.448 4.976 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492648936 1066755553 /nfs/dbraw/zinc/75/55/53/1066755553.db2.gz MWTWLGKVJRVHMC-CTNGQTDRSA-N 0 0 455.628 4.709 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC001457073583 1066755676 /nfs/dbraw/zinc/75/56/76/1066755676.db2.gz UDWXEQOIUVBHGH-LJQANCHMSA-N 0 0 450.988 4.679 20 0 JJADRN CCOc1ccc(CCC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457074860 1066755685 /nfs/dbraw/zinc/75/56/85/1066755685.db2.gz RHHPHHGGRPPMEJ-SANMLTNESA-N 0 0 451.588 4.636 20 0 JJADRN CCO[C@@H](C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001457073986 1066755769 /nfs/dbraw/zinc/75/57/69/1066755769.db2.gz LICTYHQOZCLVPD-LOSJGSFVSA-N 0 0 451.588 4.636 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccn2)n1 ZINC001492649143 1066755856 /nfs/dbraw/zinc/75/58/56/1066755856.db2.gz SHPLSOMLJYZMOM-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908723 1066755865 /nfs/dbraw/zinc/75/58/65/1066755865.db2.gz KUSJYHNQAFFKNM-ZDUSSCGKSA-N 0 0 454.939 4.779 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492649082 1066755923 /nfs/dbraw/zinc/75/59/23/1066755923.db2.gz QOSLFUUBWICNTL-OKILXGFUSA-N 0 0 464.458 4.851 20 0 JJADRN Cc1cc2nc(NC(=O)c3cnn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)sc2cc1F ZINC001457077411 1066756199 /nfs/dbraw/zinc/75/61/99/1066756199.db2.gz ANTVNSLWCMIEDA-HNNXBMFYSA-N 0 0 459.547 4.765 20 0 JJADRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457077272 1066756255 /nfs/dbraw/zinc/75/62/55/1066756255.db2.gz WVVGJJGDLHMNSX-ISKFKSNPSA-N 0 0 455.551 4.601 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)[nH]n1 ZINC001446927711 1066756951 /nfs/dbraw/zinc/75/69/51/1066756951.db2.gz JKJIJRWIGGMKQK-UHFFFAOYSA-N 0 0 457.452 4.620 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001492649682 1066757048 /nfs/dbraw/zinc/75/70/48/1066757048.db2.gz LUUIVJQFZXZTEG-MRXNPFEDSA-N 0 0 489.045 4.857 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCOc2ccc(F)cc2)n1 ZINC001492649545 1066757115 /nfs/dbraw/zinc/75/71/15/1066757115.db2.gz HHWVQEMQDPRFBJ-UHFFFAOYSA-N 0 0 472.977 4.851 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1 ZINC001492649979 1066757444 /nfs/dbraw/zinc/75/74/44/1066757444.db2.gz WLESLSVHCRFMDB-IAQYHMDHSA-N 0 0 475.899 4.707 20 0 JJADRN CC(=O)OCCc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001446930237 1066757566 /nfs/dbraw/zinc/75/75/66/1066757566.db2.gz XHVUZLIPLNSINJ-UHFFFAOYSA-N 0 0 451.906 4.694 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2cc(C)cc(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457082066 1066757726 /nfs/dbraw/zinc/75/77/26/1066757726.db2.gz YHJQQIDZRVTFKX-VWLOTQADSA-N 0 0 451.588 4.797 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H](C)OC2CCCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457081775 1066757747 /nfs/dbraw/zinc/75/77/47/1066757747.db2.gz WVRPJNQOZWQSQV-KBMIEXCESA-N 0 0 457.636 4.986 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545990804 1066757636 /nfs/dbraw/zinc/75/76/36/1066757636.db2.gz YJJSRZDXFTXWQI-QWFCFKBJSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1csc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)Cc2ccon2)n1 ZINC001492651565 1066757959 /nfs/dbraw/zinc/75/79/59/1066757959.db2.gz VXPILDCGXADXSN-UHFFFAOYSA-N 0 0 473.002 4.689 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)Cc2ccoc2C)n1 ZINC001492651179 1066758393 /nfs/dbraw/zinc/75/83/93/1066758393.db2.gz HCPUNRFBZGYGGK-UHFFFAOYSA-N 0 0 488.411 4.971 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1C ZINC001446963212 1066758631 /nfs/dbraw/zinc/75/86/31/1066758631.db2.gz SVNXKYPFJSRMEI-CQSZACIVSA-N 0 0 458.653 4.751 20 0 JJADRN Cc1csc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2C)n1 ZINC001492651562 1066758762 /nfs/dbraw/zinc/75/87/62/1066758762.db2.gz VVHFAPMQJQQEBA-QGZVFWFLSA-N 0 0 466.636 4.589 20 0 JJADRN Cc1csc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001492651431 1066758836 /nfs/dbraw/zinc/75/88/36/1066758836.db2.gz QQNWUIFWVDLSGT-KRWDZBQOSA-N 0 0 459.591 4.593 20 0 JJADRN Cc1csc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccccc2C)n1 ZINC001492651561 1066758891 /nfs/dbraw/zinc/75/88/91/1066758891.db2.gz VVHFAPMQJQQEBA-KRWDZBQOSA-N 0 0 466.636 4.589 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)ccc2NC1=O ZINC001457090475 1066759197 /nfs/dbraw/zinc/75/91/97/1066759197.db2.gz JTUMZTYWQGBXFW-UZLBHIALSA-N 0 0 452.551 4.503 20 0 JJADRN CCc1nsc(N2CCN(C(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)CC2)n1 ZINC001457090453 1066759249 /nfs/dbraw/zinc/75/92/49/1066759249.db2.gz JRODPTNWHFXCLV-OWASQQFJSA-N 0 0 465.450 4.955 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)Cc1cccs1 ZINC001457089046 1066759307 /nfs/dbraw/zinc/75/93/07/1066759307.db2.gz BRPRGVHMHRHCLX-INIZCTEOSA-N 0 0 455.045 4.575 20 0 JJADRN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001457089906 1066759319 /nfs/dbraw/zinc/75/93/19/1066759319.db2.gz GLUMOJJHMVHPIQ-CABCVRRESA-N 0 0 457.294 4.747 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001446964837 1066759370 /nfs/dbraw/zinc/75/93/70/1066759370.db2.gz PEEQWVVKBRSRGD-GHTZIAJQSA-N 0 0 459.384 4.633 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2NCc2ccccc2C)c1 ZINC001446968767 1066759738 /nfs/dbraw/zinc/75/97/38/1066759738.db2.gz UYPKUXOXDJQOLU-UHFFFAOYSA-N 0 0 451.592 4.531 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3C)CC2)n1 ZINC001492652181 1066759726 /nfs/dbraw/zinc/75/97/26/1066759726.db2.gz BCIQKQYLJLGENO-UHFFFAOYSA-N 0 0 456.635 4.648 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@@H](C)C2)n1 ZINC001492652101 1066759843 /nfs/dbraw/zinc/75/98/43/1066759843.db2.gz OEUYJRWOQBSCRW-AEFFLSMTSA-N 0 0 460.648 4.790 20 0 JJADRN Cc1cscc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001492652113 1066759861 /nfs/dbraw/zinc/75/98/61/1066759861.db2.gz AEIKNOUYDGIBIA-UHFFFAOYSA-N 0 0 466.998 4.676 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)ccc2NC1=O ZINC001457094248 1066760206 /nfs/dbraw/zinc/76/02/06/1066760206.db2.gz PDECFHLVAJNXDP-KPZWWZAWSA-N 0 0 459.424 4.961 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ncc(C)s3)CC2)n1 ZINC001492652379 1066760402 /nfs/dbraw/zinc/76/04/02/1066760402.db2.gz FBFDUGYTKYQGIS-HNNXBMFYSA-N 0 0 459.689 4.527 20 0 JJADRN CCc1cnc(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)s1 ZINC001457096478 1066760833 /nfs/dbraw/zinc/76/08/33/1066760833.db2.gz HWIYTMOSLRNBNC-QGZVFWFLSA-N 0 0 457.518 4.649 20 0 JJADRN Cc1cscc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001492653046 1066760798 /nfs/dbraw/zinc/76/07/98/1066760798.db2.gz VKQKDWGTUPWKIK-UHFFFAOYSA-N 0 0 463.529 4.588 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001492653059 1066760854 /nfs/dbraw/zinc/76/08/54/1066760854.db2.gz WDKIPLUQWCNCSW-FQEVSTJZSA-N 0 0 458.031 4.905 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1Nc1ccc(F)cc1F)CC2 ZINC001446980120 1066760822 /nfs/dbraw/zinc/76/08/22/1066760822.db2.gz KFKIZSTVPODBNE-UHFFFAOYSA-N 0 0 453.489 4.722 20 0 JJADRN O=C(N[C@H]1CC12CCCCC2)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001446978382 1066760981 /nfs/dbraw/zinc/76/09/81/1066760981.db2.gz FAAZJZASJHRFIB-IBGZPJMESA-N 0 0 452.498 4.959 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001492653223 1066761416 /nfs/dbraw/zinc/76/14/16/1066761416.db2.gz BIRJCTAOCDELRL-UPTQXZAWSA-N 0 0 465.648 4.617 20 0 JJADRN CCc1cnc(CCNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)s1 ZINC001457098406 1066761307 /nfs/dbraw/zinc/76/13/07/1066761307.db2.gz OEDSNIHYHWJOEI-UHFFFAOYSA-N 0 0 459.413 4.505 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001492653204 1066761519 /nfs/dbraw/zinc/76/15/19/1066761519.db2.gz AZTCWRBRFGMTHW-UHFFFAOYSA-N 0 0 457.669 4.699 20 0 JJADRN O=C(N[C@H](CC1CCC1)c1ccccc1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001446981500 1066761542 /nfs/dbraw/zinc/76/15/42/1066761542.db2.gz BTQLGSZPSLNLGI-HSZRJFAPSA-N 0 0 454.617 4.888 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001492653459 1066761959 /nfs/dbraw/zinc/76/19/59/1066761959.db2.gz IMRJCABSSFTPEQ-SFHVURJKSA-N 0 0 471.675 4.675 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1 ZINC001457100329 1066761993 /nfs/dbraw/zinc/76/19/93/1066761993.db2.gz PJUVZZFLECXMNU-UHFFFAOYSA-N 0 0 456.546 4.673 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446984589 1066762003 /nfs/dbraw/zinc/76/20/03/1066762003.db2.gz GJKMWSYERUFZKE-HOTGVXAUSA-N 0 0 458.584 4.862 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001492653840 1066762287 /nfs/dbraw/zinc/76/22/87/1066762287.db2.gz OLJGRXULVPXMRK-UHFFFAOYSA-N 0 0 469.474 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c2ccccc21 ZINC001457101637 1066762419 /nfs/dbraw/zinc/76/24/19/1066762419.db2.gz JKJSOABCMJTAOD-QAPCUYQASA-N 0 0 458.505 4.704 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446989559 1066762461 /nfs/dbraw/zinc/76/24/61/1066762461.db2.gz UZYKLCQEGAPCKU-OAHLLOKOSA-N 0 0 459.775 4.836 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC001446987399 1066762509 /nfs/dbraw/zinc/76/25/09/1066762509.db2.gz XCPLYQVWQXKHBS-KKXDTOCCSA-N 0 0 450.967 4.567 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001446989556 1066762519 /nfs/dbraw/zinc/76/25/19/1066762519.db2.gz UZYKLCQEGAPCKU-HNNXBMFYSA-N 0 0 459.775 4.836 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC001457101523 1066762538 /nfs/dbraw/zinc/76/25/38/1066762538.db2.gz MABJBCSNVMAGQI-NOVUIFNWSA-N 0 0 458.914 4.868 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Br)nnc1N(C)CCc1cnccn1 ZINC001492653935 1066762858 /nfs/dbraw/zinc/76/28/58/1066762858.db2.gz IVOOTYGMXHSRBJ-UHFFFAOYSA-N 0 0 469.412 4.595 20 0 JJADRN Cc1cscc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492653911 1066762882 /nfs/dbraw/zinc/76/28/82/1066762882.db2.gz PQKAJUOIHAMNBA-TZIWHRDSSA-N 0 0 489.686 4.877 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446991211 1066762937 /nfs/dbraw/zinc/76/29/37/1066762937.db2.gz MYEXJFSGUOSDSO-VXGBXAGGSA-N 0 0 451.778 4.882 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001446991402 1066763028 /nfs/dbraw/zinc/76/30/28/1066763028.db2.gz NPNQAIRBIDFTGD-HBMCJLEFSA-N 0 0 452.595 4.901 20 0 JJADRN C[C@@H]1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446991206 1066763090 /nfs/dbraw/zinc/76/30/90/1066763090.db2.gz MYEXJFSGUOSDSO-NWDGAFQWSA-N 0 0 451.778 4.882 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)[C@H]2CCCO[C@H]21 ZINC001457105304 1066763416 /nfs/dbraw/zinc/76/34/16/1066763416.db2.gz XQBCYSLGXCPDBG-GFWSLJDESA-N 0 0 454.135 4.531 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)c2ccccc21 ZINC001457105479 1066763439 /nfs/dbraw/zinc/76/34/39/1066763439.db2.gz ZAUGIQDZGISZQZ-AVRDEDQJSA-N 0 0 456.583 4.640 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cn2ncnc12)c1ccccc1OCc1ccccc1 ZINC001446992945 1066763451 /nfs/dbraw/zinc/76/34/51/1066763451.db2.gz BUNZCWQKDPMJDA-OAHLLOKOSA-N 0 0 451.324 4.562 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001492654546 1066763827 /nfs/dbraw/zinc/76/38/27/1066763827.db2.gz XYKFBZVVZBGQGY-ZHALLVOQSA-N 0 0 459.660 4.903 20 0 JJADRN CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001457107471 1066763942 /nfs/dbraw/zinc/76/39/42/1066763942.db2.gz GAEAFFWZYXEYFM-SJORKVTESA-N 0 0 453.029 4.521 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c2ccccc21 ZINC001457105518 1066764018 /nfs/dbraw/zinc/76/40/18/1066764018.db2.gz ZHHBUYVRWLVFGG-SXKRPYPPSA-N 0 0 458.514 4.524 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001446996703 1066764109 /nfs/dbraw/zinc/76/41/09/1066764109.db2.gz UJTWRHDEWSGGLA-CABCVRRESA-N 0 0 455.393 4.706 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001446997070 1066764148 /nfs/dbraw/zinc/76/41/48/1066764148.db2.gz VFYRHWGYJPAOFS-ZIAGYGMSSA-N 0 0 453.370 4.649 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)[C@H]2CC[C@H](SC)C2)cc1OC ZINC001457109475 1066764291 /nfs/dbraw/zinc/76/42/91/1066764291.db2.gz JQYVWWMEJSBZMN-PMACEKPBSA-N 0 0 451.592 4.913 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(Cc2ccccc2)C1)c1ccccc1Br ZINC001446998986 1066764517 /nfs/dbraw/zinc/76/45/17/1066764517.db2.gz WBEUAUTZNTZTAG-HXUWFJFHSA-N 0 0 459.384 4.716 20 0 JJADRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001447007355 1066764917 /nfs/dbraw/zinc/76/49/17/1066764917.db2.gz LEXOEKFGNMTCAX-MRXNPFEDSA-N 0 0 452.383 4.984 20 0 JJADRN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001447010634 1066764997 /nfs/dbraw/zinc/76/49/97/1066764997.db2.gz JANRRXAUJPCTEY-WTTBNOFXSA-N 0 0 450.423 4.695 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1 ZINC001492655317 1066765765 /nfs/dbraw/zinc/76/57/65/1066765765.db2.gz HDMZQEQPMKMZKU-KVZIAJEVSA-N 0 0 463.623 4.953 20 0 JJADRN CN(CCc1cccs1)C(=O)c1cc(I)ccc1N1CCCCC1 ZINC001457116968 1066765858 /nfs/dbraw/zinc/76/58/58/1066765858.db2.gz YFWBVNRYFDQIBZ-UHFFFAOYSA-N 0 0 454.377 4.658 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447015926 1066765980 /nfs/dbraw/zinc/76/59/80/1066765980.db2.gz SPAIDLVJBYPTDC-OPNNQBFTSA-N 0 0 458.521 4.512 20 0 JJADRN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)CC(=O)N2C(C)(C)C)cn1 ZINC001457116163 1066765987 /nfs/dbraw/zinc/76/59/87/1066765987.db2.gz VBBMDEQECFIJAR-UZLBHIALSA-N 0 0 453.612 4.654 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001447014373 1066766098 /nfs/dbraw/zinc/76/60/98/1066766098.db2.gz PQUXCCJMCVYJCL-KSSFIOAISA-N 0 0 455.393 4.815 20 0 JJADRN Cc1c(N)c(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1Br ZINC001447017182 1066766595 /nfs/dbraw/zinc/76/65/95/1066766595.db2.gz VPZGYDZXYBWOJN-CQSZACIVSA-N 0 0 453.205 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)N[C@@H]3CCCOc4c(F)cccc43)cccc2C1 ZINC001447017519 1066766698 /nfs/dbraw/zinc/76/66/98/1066766698.db2.gz UYFOKKQEKVETDF-JOCHJYFZSA-N 0 0 454.542 4.692 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H](CSc3ccccc3)C2)Cc2ccccc2C1 ZINC001457122863 1066767093 /nfs/dbraw/zinc/76/70/93/1066767093.db2.gz JWAXWUZQBNLNQR-LJQANCHMSA-N 0 0 452.620 4.690 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2nn(C)cc2Br)c2cc(F)ccc2F)c1 ZINC001457121865 1066767110 /nfs/dbraw/zinc/76/71/10/1066767110.db2.gz XPCIDRRVYJNIAY-QGZVFWFLSA-N 0 0 452.324 4.702 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)n1 ZINC001457125623 1066767556 /nfs/dbraw/zinc/76/75/56/1066767556.db2.gz NTCOCAWAGGIXOH-UHFFFAOYSA-N 0 0 458.396 4.635 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC=CCO2)CCO1 ZINC001546087472 1066768256 /nfs/dbraw/zinc/76/82/56/1066768256.db2.gz MWSSYBQOZTUQAM-OZXSUGGESA-N 0 0 454.615 4.720 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492656270 1066768525 /nfs/dbraw/zinc/76/85/25/1066768525.db2.gz CHPOQIJXWAWGRJ-CQSZACIVSA-N 0 0 486.589 4.600 20 0 JJADRN CCCN(CCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C(=O)OC(C)(C)C ZINC001447046404 1066768656 /nfs/dbraw/zinc/76/86/56/1066768656.db2.gz BZMAFTPSYMKBMG-UHFFFAOYSA-N 0 0 454.999 4.637 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)s1 ZINC001492656549 1066769005 /nfs/dbraw/zinc/76/90/05/1066769005.db2.gz BQJPKAMBGGALSZ-SFHVURJKSA-N 0 0 460.648 4.512 20 0 JJADRN Cc1cccnc1[C@@H](C)NC(=O)c1cc(I)cc(Br)c1C ZINC001457132537 1066769126 /nfs/dbraw/zinc/76/91/26/1066769126.db2.gz FFPUWHMFIFTXMF-LLVKDONJSA-N 0 0 459.125 4.557 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492656728 1066769436 /nfs/dbraw/zinc/76/94/36/1066769436.db2.gz FIRCOOXTDABEEH-IIBYNOLFSA-N 0 0 455.628 4.609 20 0 JJADRN COc1ccc(OC)c(CN(CCO)C(=O)c2ccccc2OCc2ccccc2Cl)c1 ZINC001447053429 1066769695 /nfs/dbraw/zinc/76/96/95/1066769695.db2.gz ZYPFZDSRPZXNIM-UHFFFAOYSA-N 0 0 455.938 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC001457136603 1066770133 /nfs/dbraw/zinc/77/01/33/1066770133.db2.gz TYCPZQLPXFNKHB-FYSMJZIKSA-N 0 0 470.595 4.912 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(O)c1 ZINC001447059966 1066770274 /nfs/dbraw/zinc/77/02/74/1066770274.db2.gz HUWXUAKOFAMFSA-UHFFFAOYSA-N 0 0 450.438 4.892 20 0 JJADRN Cc1ccc(CCCC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001457137895 1066770557 /nfs/dbraw/zinc/77/05/57/1066770557.db2.gz RFMIOFWXGGQMCZ-VWLOTQADSA-N 0 0 457.542 4.905 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC001447066777 1066770780 /nfs/dbraw/zinc/77/07/80/1066770780.db2.gz HBXYSOMOOOGKEG-IBGZPJMESA-N 0 0 452.913 4.879 20 0 JJADRN Cc1ccc2[nH]c(CNC(=O)c3cccnc3Oc3ccc(F)cc3Br)nc2c1 ZINC001457140504 1066771121 /nfs/dbraw/zinc/77/11/21/1066771121.db2.gz FYNHHSCLRDJARA-UHFFFAOYSA-N 0 0 455.287 4.890 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492657664 1066771109 /nfs/dbraw/zinc/77/11/09/1066771109.db2.gz ZKBXENJIPYENPP-SFHVURJKSA-N 0 0 475.609 4.714 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001447074505 1066771344 /nfs/dbraw/zinc/77/13/44/1066771344.db2.gz OHONRKAAJGQGPL-JTQLQIEISA-N 0 0 454.702 4.871 20 0 JJADRN CC(C)(C)OC(=O)Cn1cccc(C(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1=O ZINC001457142853 1066771461 /nfs/dbraw/zinc/77/14/61/1066771461.db2.gz VHSVPTHKGMOMNA-JTHBVZDNSA-N 0 0 456.627 4.934 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)C[C@@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492657724 1066771423 /nfs/dbraw/zinc/77/14/23/1066771423.db2.gz XYXKEWDTJZASAP-BCHFMIIMSA-N 0 0 483.682 4.875 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(Br)cs2)CCO1 ZINC001546087206 1066772053 /nfs/dbraw/zinc/77/20/53/1066772053.db2.gz IGQQWBWRMDTTAG-NRFANRHFSA-N 0 0 477.428 4.831 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H]2C)s1 ZINC001492658395 1066772505 /nfs/dbraw/zinc/77/25/05/1066772505.db2.gz QQULFVKRBXINPX-LLVKDONJSA-N 0 0 450.381 4.957 20 0 JJADRN Cc1cc(-n2cccn2)ccc1CNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001457145416 1066772608 /nfs/dbraw/zinc/77/26/08/1066772608.db2.gz JIZZHRHPYWCBQK-UHFFFAOYSA-N 0 0 452.440 4.663 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)/C=C/c3ccccc3OCc3ccccc3)CC2)n1 ZINC001457150732 1066773523 /nfs/dbraw/zinc/77/35/23/1066773523.db2.gz SRBOJJNHWDHGQC-FOCLMDBBSA-N 0 0 457.574 4.858 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)c3cc(Br)c4nccn4c3)ccn2)c1C ZINC001457149765 1066773560 /nfs/dbraw/zinc/77/35/60/1066773560.db2.gz NTPLIPHROLFIEB-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546087571 1066773572 /nfs/dbraw/zinc/77/35/72/1066773572.db2.gz OHXOLIMUWRIQAJ-ZWNWOPDOSA-N 0 0 456.631 4.943 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)NCc3ccnc(Oc4cccc(C)c4C)c3)n2)cc1 ZINC001457149803 1066773626 /nfs/dbraw/zinc/77/36/26/1066773626.db2.gz ONGFJPLOIMLUGG-UHFFFAOYSA-N 0 0 458.518 4.798 20 0 JJADRN O=C(CCCn1cnc2ccccc21)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447105493 1066773666 /nfs/dbraw/zinc/77/36/66/1066773666.db2.gz FVGBQYRPADJJIR-IBGZPJMESA-N 0 0 459.331 4.785 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1c[nH]nc1-c1ccccc1 ZINC001447104288 1066773845 /nfs/dbraw/zinc/77/38/45/1066773845.db2.gz BBIRPJANBMILQG-UHFFFAOYSA-N 0 0 455.139 4.955 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(OC)ccc2OC(F)F)CCO1 ZINC001546087642 1066774053 /nfs/dbraw/zinc/77/40/53/1066774053.db2.gz PZVTWCQPDMUIKU-HSZRJFAPSA-N 0 0 493.942 4.657 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492658881 1066774099 /nfs/dbraw/zinc/77/40/99/1066774099.db2.gz KNAKOMXKQGLYNM-CVEARBPZSA-N 0 0 459.591 4.683 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)s1 ZINC001492658968 1066774272 /nfs/dbraw/zinc/77/42/72/1066774272.db2.gz MBBHMKHVWAYYIT-UHFFFAOYSA-N 0 0 464.458 4.691 20 0 JJADRN CCOC(=O)CC1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CCCCC1 ZINC001447106961 1066774427 /nfs/dbraw/zinc/77/44/27/1066774427.db2.gz RPNXMXRUXCQOIR-OAQYLSRUSA-N 0 0 452.636 4.870 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(Br)c(SC)c2)[C@H](CO)C(C)C)cc1 ZINC001447108732 1066774560 /nfs/dbraw/zinc/77/45/60/1066774560.db2.gz KRWWWEZZOLFSLR-LJQANCHMSA-N 0 0 452.414 4.839 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nccn2C(F)F)CCO1 ZINC001546087662 1066774698 /nfs/dbraw/zinc/77/46/98/1066774698.db2.gz QGGPMIIYWWCQHA-NRFANRHFSA-N 0 0 495.372 4.661 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492659096 1066774733 /nfs/dbraw/zinc/77/47/33/1066774733.db2.gz PYTHRYIUHWXIEB-HNNXBMFYSA-N 0 0 485.013 4.774 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@H]2c2ccc(I)cc2)ccc1Cl ZINC001447110827 1066774885 /nfs/dbraw/zinc/77/48/85/1066774885.db2.gz MNXDBTPCYYLCSL-SFHVURJKSA-N 0 0 455.723 4.996 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnc(C)s2)CCO1 ZINC001546087756 1066775268 /nfs/dbraw/zinc/77/52/68/1066775268.db2.gz SHJPGGOBWWNLJZ-DEOSSOPVSA-N 0 0 471.627 4.559 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC001492659432 1066775609 /nfs/dbraw/zinc/77/56/09/1066775609.db2.gz BEEQLMJCCMESTN-UHFFFAOYSA-N 0 0 454.644 4.680 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659456 1066775623 /nfs/dbraw/zinc/77/56/23/1066775623.db2.gz BQVLWEOYGSSJDF-MAUKXSAKSA-N 0 0 476.691 4.728 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659455 1066775809 /nfs/dbraw/zinc/77/58/09/1066775809.db2.gz BQVLWEOYGSSJDF-CRAIPNDOSA-N 0 0 476.691 4.728 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)c(Cl)c2)CCO1 ZINC001546087892 1066776432 /nfs/dbraw/zinc/77/64/32/1066776432.db2.gz VPQIUFLKDUKTDU-NRFANRHFSA-N 0 0 450.345 4.840 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(C(=O)c3ccccc3)CC2)s1 ZINC001492659650 1066776275 /nfs/dbraw/zinc/77/62/75/1066776275.db2.gz IIIIFCFNSUZCIN-UHFFFAOYSA-N 0 0 480.682 4.729 20 0 JJADRN CC(C)(C)c1ccc(C(C)(C)CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1 ZINC001447121989 1066776229 /nfs/dbraw/zinc/77/62/29/1066776229.db2.gz KELSVCZLBVTUBG-VWLOTQADSA-N 0 0 457.618 4.814 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N(C)C[C@H](C)c2nccs2)s1 ZINC001492659823 1066776882 /nfs/dbraw/zinc/77/68/82/1066776882.db2.gz KTRTWQMRGXXNTH-INIZCTEOSA-N 0 0 452.653 4.881 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001457165115 1066777341 /nfs/dbraw/zinc/77/73/41/1066777341.db2.gz FFPDWVMFNNBZRT-UHFFFAOYSA-N 0 0 453.907 4.975 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)Oc1ccc(F)cc1 ZINC001447133438 1066777512 /nfs/dbraw/zinc/77/75/12/1066777512.db2.gz FBFDIDCPDJAMNX-UMSHPIDHSA-N 0 0 459.926 4.818 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccsc3)nnc2N(C)CCOc2ccccc2C)s1 ZINC001492660424 1066777464 /nfs/dbraw/zinc/77/74/64/1066777464.db2.gz UUHXRHHGLGYDQG-UHFFFAOYSA-N 0 0 453.637 4.876 20 0 JJADRN O=C(Nc1cc(C(=O)Nc2cccc(N3CCCNC3=O)c2)ccc1Cl)c1cccs1 ZINC001457163921 1066777435 /nfs/dbraw/zinc/77/74/35/1066777435.db2.gz PLDXRVKQXYPDOH-UHFFFAOYSA-N 0 0 454.939 4.826 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001457165770 1066778147 /nfs/dbraw/zinc/77/81/47/1066778147.db2.gz CTBVGHAFGZKFLP-UHFFFAOYSA-N 0 0 455.942 4.984 20 0 JJADRN Cc1ccc(CSc2nc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n[nH]2)cc1 ZINC001457165919 1066778191 /nfs/dbraw/zinc/77/81/91/1066778191.db2.gz ZVLZKBUMOCCUCP-UHFFFAOYSA-N 0 0 453.568 4.934 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492660761 1066778582 /nfs/dbraw/zinc/77/85/82/1066778582.db2.gz UFSAPTZLMBPSHD-MISYRCLQSA-N 0 0 461.676 4.570 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CC2=O)c1 ZINC001457169471 1066779093 /nfs/dbraw/zinc/77/90/93/1066779093.db2.gz LPEOIVAAZUTDKV-MRXNPFEDSA-N 0 0 456.564 4.738 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)s1 ZINC001492660866 1066779154 /nfs/dbraw/zinc/77/91/54/1066779154.db2.gz XIBZACVDMDHDQX-AWEZNQCLSA-N 0 0 472.615 4.814 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC001447163712 1066779363 /nfs/dbraw/zinc/77/93/63/1066779363.db2.gz PIKLLVWAXWYKKN-UHFFFAOYSA-N 0 0 451.445 4.729 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CCCc2csc3ccccc23)cc1F ZINC001457170627 1066779210 /nfs/dbraw/zinc/77/92/10/1066779210.db2.gz IDTWIFGILFSSTG-HNNXBMFYSA-N 0 0 456.539 4.683 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOC(C)(C)C)CCO1 ZINC001546088013 1066779651 /nfs/dbraw/zinc/77/96/51/1066779651.db2.gz YETUPBBXFXSZGG-QFIPXVFZSA-N 0 0 465.436 4.836 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CCCS2)CCO1 ZINC001546088027 1066779680 /nfs/dbraw/zinc/77/96/80/1066779680.db2.gz YHBOYAUDXZNTMM-YADHBBJMSA-N 0 0 451.036 4.898 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOC(C)(C)C)CCO1 ZINC001546088012 1066779742 /nfs/dbraw/zinc/77/97/42/1066779742.db2.gz YETUPBBXFXSZGG-JOCHJYFZSA-N 0 0 465.436 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001492661108 1066779743 /nfs/dbraw/zinc/77/97/43/1066779743.db2.gz CXLDIQAGKVDWND-VGOFRKELSA-N 0 0 469.655 4.612 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2cc(I)c(F)cc2F)c1C(F)F ZINC001447167676 1066779795 /nfs/dbraw/zinc/77/97/95/1066779795.db2.gz HUNMPHKLHBUUDX-UHFFFAOYSA-N 0 0 455.193 4.612 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 ZINC001457173408 1066780188 /nfs/dbraw/zinc/78/01/88/1066780188.db2.gz WVNQHNHBIVYIJD-UHFFFAOYSA-N 0 0 457.530 4.799 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCCN2CCCCCC2=O)cs1 ZINC001492661082 1066780327 /nfs/dbraw/zinc/78/03/27/1066780327.db2.gz COHUWEMHCJWIRO-KRWDZBQOSA-N 0 0 472.684 4.685 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)n2)c1 ZINC001457172033 1066780277 /nfs/dbraw/zinc/78/02/77/1066780277.db2.gz SMZHTAVLTTUNAM-OAHLLOKOSA-N 0 0 452.511 4.892 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1C(F)F ZINC001447170105 1066780426 /nfs/dbraw/zinc/78/04/26/1066780426.db2.gz OTWRXJTYXUVKGV-SJCJKPOMSA-N 0 0 459.324 4.942 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)cc1C(=O)OC ZINC001457174954 1066780791 /nfs/dbraw/zinc/78/07/91/1066780791.db2.gz QDRAQXOAULTTQZ-UHFFFAOYSA-N 0 0 453.878 4.745 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492661669 1066781216 /nfs/dbraw/zinc/78/12/16/1066781216.db2.gz KULGMDLRILHAKQ-ZBFHGGJFSA-N 0 0 466.611 4.945 20 0 JJADRN COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC001457180323 1066781414 /nfs/dbraw/zinc/78/14/14/1066781414.db2.gz WWSADISWDQIHJP-UHFFFAOYSA-N 0 0 454.733 4.892 20 0 JJADRN Cc1cccc(N2N=C(C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)CCC2=O)c1 ZINC001447191911 1066781340 /nfs/dbraw/zinc/78/13/40/1066781340.db2.gz AVVICKACDIQHHD-UHFFFAOYSA-N 0 0 452.967 4.614 20 0 JJADRN CC[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545993344 1066781374 /nfs/dbraw/zinc/78/13/74/1066781374.db2.gz VTKMDMHYNVEWQD-HNAYVOBHSA-N 0 0 493.427 4.676 20 0 JJADRN O=C(N[C@@H](CO)c1cc(F)ccc1F)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC001457186233 1066781733 /nfs/dbraw/zinc/78/17/33/1066781733.db2.gz GZZFBMHEFFYANU-QHCPKHFHSA-N 0 0 453.876 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492661979 1066781830 /nfs/dbraw/zinc/78/18/30/1066781830.db2.gz ODXRHUKPAHBBDP-XANJXPFSSA-N 0 0 475.659 4.707 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCSC(C)C)CCO2)no1 ZINC001492662603 1066782376 /nfs/dbraw/zinc/78/23/76/1066782376.db2.gz KZSOVMXUGMXGGP-HXUWFJFHSA-N 0 0 470.643 4.654 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCCCn2ccnc2C)cs1 ZINC001492662575 1066782414 /nfs/dbraw/zinc/78/24/14/1066782414.db2.gz WFPCFLZIURCIFI-MRXNPFEDSA-N 0 0 455.657 4.878 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc(C(C)(C)C)c1O ZINC001447208596 1066782835 /nfs/dbraw/zinc/78/28/35/1066782835.db2.gz QVBULJZITNMDBY-HXUWFJFHSA-N 0 0 452.595 4.836 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545993563 1066782910 /nfs/dbraw/zinc/78/29/10/1066782910.db2.gz YSUNNKSPBVUEGZ-IAGOWNOFSA-N 0 0 464.680 4.866 20 0 JJADRN COc1ccc(O[C@@H](C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC001457187346 1066782937 /nfs/dbraw/zinc/78/29/37/1066782937.db2.gz DCKIKUQNGORJIT-IBGZPJMESA-N 0 0 459.521 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NC[C@]3(C)CCCc4ccccc43)ccc2C1 ZINC001447215325 1066783285 /nfs/dbraw/zinc/78/32/85/1066783285.db2.gz IDLFNOUCELSSGM-MHZLTWQESA-N 0 0 450.579 4.840 20 0 JJADRN CN(C)[C@@H](C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1c(F)cccc1Cl ZINC001457190674 1066783306 /nfs/dbraw/zinc/78/33/06/1066783306.db2.gz ALVSFUBDFOIJHR-OXQOHEQNSA-N 0 0 456.002 4.625 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(Br)cc4Cl)n3CCC(C)C)CCO2)no1 ZINC001492663402 1066783312 /nfs/dbraw/zinc/78/33/12/1066783312.db2.gz YKGUECZOYNQQNS-QGZVFWFLSA-N 0 0 495.809 4.676 20 0 JJADRN COCCN(CCNC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)OC(C)(C)C ZINC001447223427 1066783350 /nfs/dbraw/zinc/78/33/50/1066783350.db2.gz CBHAEYURESWPGH-UHFFFAOYSA-N 0 0 455.580 4.577 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@H](F)C2)cs1 ZINC001492663457 1066783400 /nfs/dbraw/zinc/78/34/00/1066783400.db2.gz AASPAMUAZOLUSS-ROUUACIJSA-N 0 0 492.665 4.608 20 0 JJADRN CCn1ncc(Br)c1C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001457192019 1066783947 /nfs/dbraw/zinc/78/39/47/1066783947.db2.gz OMPOOIALIIZWKT-LBPRGKRZSA-N 0 0 456.056 4.888 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)O[C@@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c1 ZINC001457191883 1066783955 /nfs/dbraw/zinc/78/39/55/1066783955.db2.gz NRJNYNBYXBGVAF-YJYMSZOUSA-N 0 0 457.832 4.557 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC001447232839 1066783996 /nfs/dbraw/zinc/78/39/96/1066783996.db2.gz QOCAVKIXATXTHP-QGZVFWFLSA-N 0 0 455.967 4.576 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492663734 1066783997 /nfs/dbraw/zinc/78/39/97/1066783997.db2.gz IIBDFMWJVUBHID-JOCHJYFZSA-N 0 0 479.572 4.853 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccccc1 ZINC001457194717 1066784362 /nfs/dbraw/zinc/78/43/62/1066784362.db2.gz CUCGTYRUZGHOMA-QGZVFWFLSA-N 0 0 457.452 4.785 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)cs1 ZINC001492664330 1066784380 /nfs/dbraw/zinc/78/43/80/1066784380.db2.gz IJTPSWBYZXPEGO-UHFFFAOYSA-N 0 0 464.426 4.729 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC001447233522 1066784447 /nfs/dbraw/zinc/78/44/47/1066784447.db2.gz OLCRACMQESQRHN-OAQYLSRUSA-N 0 0 450.608 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001457195899 1066784923 /nfs/dbraw/zinc/78/49/23/1066784923.db2.gz MJYRPRGXKYYUAF-QGZVFWFLSA-N 0 0 458.521 4.714 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001492664458 1066785054 /nfs/dbraw/zinc/78/50/54/1066785054.db2.gz KCJUWYYVJMQNEE-UHFFFAOYSA-N 0 0 478.622 4.584 20 0 JJADRN O=C(N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)C1(c2cccc(Br)c2)CC1 ZINC001447252258 1066785073 /nfs/dbraw/zinc/78/50/73/1066785073.db2.gz OTAGCVYFPYRWSZ-GOSISDBHSA-N 0 0 452.295 4.682 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cccn3c(I)cnc13)CCC2 ZINC001447257829 1066785429 /nfs/dbraw/zinc/78/54/29/1066785429.db2.gz GRDVGUVYQLFMBF-SFHVURJKSA-N 0 0 459.331 4.870 20 0 JJADRN O=C(c1nccnc1SCc1ccccc1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447262591 1066785560 /nfs/dbraw/zinc/78/55/60/1066785560.db2.gz ZEKYZGAKKPITMS-IBGZPJMESA-N 0 0 457.502 4.584 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H](C)Oc2cccc(F)c2)cs1 ZINC001492665026 1066785491 /nfs/dbraw/zinc/78/54/91/1066785491.db2.gz UWCBDQDXGRNBQO-HOTGVXAUSA-N 0 0 486.642 4.937 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1[nH]nc(-c2ccccc2)c1Br ZINC001447268586 1066786060 /nfs/dbraw/zinc/78/60/60/1066786060.db2.gz NTWRDELMAHYRHO-LJQANCHMSA-N 0 0 451.299 4.893 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3Br)[C@@H](C)C2)cc1C ZINC001457198333 1066786123 /nfs/dbraw/zinc/78/61/23/1066786123.db2.gz JHQYHYFUKZWEQG-SFHVURJKSA-N 0 0 453.384 4.603 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001457197148 1066786281 /nfs/dbraw/zinc/78/62/81/1066786281.db2.gz HJUODJCHDJKPRR-LJQANCHMSA-N 0 0 450.626 4.554 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CCCc2c[nH]nc2C)cs1 ZINC001492665198 1066786106 /nfs/dbraw/zinc/78/61/06/1066786106.db2.gz ADONKHDHPCKFMH-UHFFFAOYSA-N 0 0 456.019 4.588 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492665404 1066786649 /nfs/dbraw/zinc/78/66/49/1066786649.db2.gz HGRDUYBFQMYRDQ-XMSQKQJNSA-N 0 0 496.681 4.916 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)CC2)cc1C ZINC001447272350 1066786653 /nfs/dbraw/zinc/78/66/53/1066786653.db2.gz NVCLLUTYYRLFJH-AOYPEHQESA-N 0 0 477.649 4.678 20 0 JJADRN COc1ccc(Cl)cc1NCCC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199654 1066786731 /nfs/dbraw/zinc/78/67/31/1066786731.db2.gz UXVQKPCFRULWLO-KRWDZBQOSA-N 0 0 454.011 4.694 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001457199499 1066786759 /nfs/dbraw/zinc/78/67/59/1066786759.db2.gz SRLGTVLXYJSLSU-RBUKOAKNSA-N 0 0 455.640 4.566 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cc1 ZINC001457199631 1066786876 /nfs/dbraw/zinc/78/68/76/1066786876.db2.gz UYHRCWKGMZXVGH-JOCHJYFZSA-N 0 0 455.507 4.504 20 0 JJADRN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC001447276213 1066786967 /nfs/dbraw/zinc/78/69/67/1066786967.db2.gz UWEPFBMROAOJTD-XUZZJYLKSA-N 0 0 458.599 4.714 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2cc(Br)ccc2O)cc1OC ZINC001447277812 1066787465 /nfs/dbraw/zinc/78/74/65/1066787465.db2.gz NCWSNZJGSKGGCB-UHFFFAOYSA-N 0 0 459.134 4.967 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC001447289731 1066788275 /nfs/dbraw/zinc/78/82/75/1066788275.db2.gz CNVCKXCBXLXOHT-UHFFFAOYSA-N 0 0 453.539 4.539 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001457203600 1066788706 /nfs/dbraw/zinc/78/87/06/1066788706.db2.gz AKEGZYCMCMSQEI-RDTXWAMCSA-N 0 0 453.967 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001457204408 1066789028 /nfs/dbraw/zinc/78/90/28/1066789028.db2.gz WKAXHVKBQSBJHK-HFZDXXHNSA-N 0 0 452.599 4.714 20 0 JJADRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(I)c[nH]4)cc3)ccc2O1 ZINC001447301304 1066789302 /nfs/dbraw/zinc/78/93/02/1066789302.db2.gz FDFPPUQGLGWFMA-CYBMUJFWSA-N 0 0 458.299 4.540 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1C ZINC001447302963 1066789422 /nfs/dbraw/zinc/78/94/22/1066789422.db2.gz LXUFWFCWQVFOQF-MOJGAOKDSA-N 0 0 452.551 4.634 20 0 JJADRN C[C@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457205155 1066789475 /nfs/dbraw/zinc/78/94/75/1066789475.db2.gz DMNVILBYTAPUPR-SUMWQHHRSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1nc(NC(=O)c2ccccc2COCc2ccccc2)ccc1I ZINC001457206372 1066789956 /nfs/dbraw/zinc/78/99/56/1066789956.db2.gz WMRRLMQWEJPOJD-UHFFFAOYSA-N 0 0 458.299 4.964 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)s3)n2C[C@]2(C)CCCO2)cs1 ZINC001492666101 1066789796 /nfs/dbraw/zinc/78/97/96/1066789796.db2.gz HCCFMIRNKNYRTR-IBGZPJMESA-N 0 0 482.473 4.663 20 0 JJADRN C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)OC1CCCC1 ZINC001457208204 1066790267 /nfs/dbraw/zinc/79/02/67/1066790267.db2.gz NOJSDYWAQJFCPP-KRWDZBQOSA-N 0 0 451.954 4.726 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@H]2CCC[C@H](O)C2)cs1 ZINC001492666227 1066790353 /nfs/dbraw/zinc/79/03/53/1066790353.db2.gz LOTIEYJOIUMPPW-YOEHRIQHSA-N 0 0 496.500 4.645 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001447312953 1066790446 /nfs/dbraw/zinc/79/04/46/1066790446.db2.gz ZBIOJBQUJHBCIX-KFVRLDSISA-N 0 0 452.379 4.537 20 0 JJADRN C[C@@H](CC(=O)N1CCC[C@H]1Cn1cnc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447315188 1066790541 /nfs/dbraw/zinc/79/05/41/1066790541.db2.gz WBMBADWEAOGXDH-FPOVZHCZSA-N 0 0 454.615 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001447317402 1066790909 /nfs/dbraw/zinc/79/09/09/1066790909.db2.gz ZMSKRHDQICTVCH-QTJGBDASSA-N 0 0 450.579 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001447317371 1066790929 /nfs/dbraw/zinc/79/09/29/1066790929.db2.gz ZMSKRHDQICTVCH-OEMFJLHTSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2Cc2ccoc2)cs1 ZINC001492666330 1066790984 /nfs/dbraw/zinc/79/09/84/1066790984.db2.gz PVTVGPAIWUGPTJ-UHFFFAOYSA-N 0 0 458.385 4.674 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1F ZINC001447316191 1066791136 /nfs/dbraw/zinc/79/11/36/1066791136.db2.gz SQETZQMKDBUUFN-SFHVURJKSA-N 0 0 455.530 4.516 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cn4)c3)CCO2)cc1OC ZINC001457209932 1066791354 /nfs/dbraw/zinc/79/13/54/1066791354.db2.gz BWNJKLFFHLOEGZ-QFIPXVFZSA-N 0 0 454.910 4.758 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC2(O)CCCCC2)cs1 ZINC001492666433 1066791520 /nfs/dbraw/zinc/79/15/20/1066791520.db2.gz UBPVOCPBTCGCKD-UHFFFAOYSA-N 0 0 469.655 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001447319762 1066791471 /nfs/dbraw/zinc/79/14/71/1066791471.db2.gz PZUNUCWGIWOUBC-UHFFFAOYSA-N 0 0 451.317 4.619 20 0 JJADRN CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1 ZINC001447320089 1066792073 /nfs/dbraw/zinc/79/20/73/1066792073.db2.gz YKYLKFPHMOSKBM-UHFFFAOYSA-N 0 0 457.257 4.558 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447322167 1066792317 /nfs/dbraw/zinc/79/23/17/1066792317.db2.gz WMJRWLNGMMMERR-UHFFFAOYSA-N 0 0 453.185 4.769 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CCCOc2ccccc2C)cs1 ZINC001492666550 1066792355 /nfs/dbraw/zinc/79/23/55/1066792355.db2.gz YJOWVKGQTDAPGF-UHFFFAOYSA-N 0 0 451.596 4.949 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CC(C)(C)c2ccccc2F)cs1 ZINC001492666840 1066792539 /nfs/dbraw/zinc/79/25/39/1066792539.db2.gz JRVPONBHFFDZOA-UHFFFAOYSA-N 0 0 456.616 4.844 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC3([C@@H]4CCCO4)CCC3)ccc2C)c(C)c1 ZINC001457217263 1066792642 /nfs/dbraw/zinc/79/26/42/1066792642.db2.gz SATRDVLUKMUILV-QFIPXVFZSA-N 0 0 456.608 4.553 20 0 JJADRN CCON1CCC(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 ZINC001447322898 1066792582 /nfs/dbraw/zinc/79/25/82/1066792582.db2.gz TZSILISWMZBVSX-HSZRJFAPSA-N 0 0 455.599 4.575 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2Cc2ccccc2)cs1 ZINC001492667058 1066792855 /nfs/dbraw/zinc/79/28/55/1066792855.db2.gz RMLDYNMUGFDGDY-UHFFFAOYSA-N 0 0 464.542 4.794 20 0 JJADRN O=C(c1cc2c(Br)cccc2cn1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447325707 1066793021 /nfs/dbraw/zinc/79/30/21/1066793021.db2.gz IIZTZNMYWHCKQB-UHFFFAOYSA-N 0 0 454.151 4.939 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001457220426 1066792973 /nfs/dbraw/zinc/79/29/73/1066792973.db2.gz GTDJWUHFUILLKZ-XDHUDOTRSA-N 0 0 458.599 4.832 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001457220412 1066793068 /nfs/dbraw/zinc/79/30/68/1066793068.db2.gz GTDJWUHFUILLKZ-MZNJEOGPSA-N 0 0 458.599 4.832 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001457222107 1066793539 /nfs/dbraw/zinc/79/35/39/1066793539.db2.gz FIPUBMPUHWCAJE-UHFFFAOYSA-N 0 0 457.328 4.669 20 0 JJADRN CC[C@H]1CN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329560 1066794102 /nfs/dbraw/zinc/79/41/02/1066794102.db2.gz HGINYUCBRCQSMM-LADGPHEKSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCCC3)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001492667763 1066794523 /nfs/dbraw/zinc/79/45/23/1066794523.db2.gz OMXAHMNARXARMZ-UHFFFAOYSA-N 0 0 455.676 4.860 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCOC3)n2CCc2ccc(Br)cc2)cs1 ZINC001492667683 1066794559 /nfs/dbraw/zinc/79/45/59/1066794559.db2.gz MHQJODJUOKSMNR-GOSISDBHSA-N 0 0 490.471 4.502 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CCOc2ccc(Cl)cn2)CCO1 ZINC001546088873 1066794445 /nfs/dbraw/zinc/79/44/45/1066794445.db2.gz CPROVLBEMAGQDU-JOCHJYFZSA-N 0 0 462.381 4.731 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001457227967 1066795069 /nfs/dbraw/zinc/79/50/69/1066795069.db2.gz KWHOGRODQJNXFV-VWLOTQADSA-N 0 0 456.667 4.747 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2CC[C@H](C)c2ccccc2)cs1 ZINC001492667956 1066795008 /nfs/dbraw/zinc/79/50/08/1066795008.db2.gz UJKRWSPFHMJDMV-SFHVURJKSA-N 0 0 469.655 4.663 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCCCC(F)(F)C2)cs1 ZINC001492667924 1066795036 /nfs/dbraw/zinc/79/50/36/1066795036.db2.gz SPPWYHPLKAYBJM-ROUUACIJSA-N 0 0 453.603 4.712 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cs1 ZINC001492668195 1066795468 /nfs/dbraw/zinc/79/54/68/1066795468.db2.gz BMCOFOXPTQYXQQ-NVXWUHKLSA-N 0 0 455.619 4.955 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)C1(F)F ZINC001447335541 1066795563 /nfs/dbraw/zinc/79/55/63/1066795563.db2.gz QXVPLMLFRMDNTC-BHIYHBOVSA-N 0 0 465.928 4.541 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2Cc2ccccc2OC(F)(F)F)cs1 ZINC001492668327 1066795888 /nfs/dbraw/zinc/79/58/88/1066795888.db2.gz GQQRGZZAZZAOIG-UHFFFAOYSA-N 0 0 495.571 4.834 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2Cc2cccc(Cl)c2C)cs1 ZINC001492668224 1066795945 /nfs/dbraw/zinc/79/59/45/1066795945.db2.gz CREJXUXAZRJJMP-UHFFFAOYSA-N 0 0 459.044 4.779 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492668334 1066796020 /nfs/dbraw/zinc/79/60/20/1066796020.db2.gz GWCDGJDDMVZQLT-UHFFFAOYSA-N 0 0 487.555 4.560 20 0 JJADRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)C2)cc1 ZINC001447344764 1066796296 /nfs/dbraw/zinc/79/62/96/1066796296.db2.gz KLZMLRVOOUTADJ-IGKIAQTJSA-N 0 0 455.602 4.637 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C ZINC001457236862 1066796399 /nfs/dbraw/zinc/79/63/99/1066796399.db2.gz ZUWSQQRNQWWUPQ-OALUTQOASA-N 0 0 451.567 4.506 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1 ZINC001457235471 1066796435 /nfs/dbraw/zinc/79/64/35/1066796435.db2.gz YHBPESXJNLTZGK-UHFFFAOYSA-N 0 0 455.562 4.702 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c(OC)c1OC ZINC001447340581 1066796415 /nfs/dbraw/zinc/79/64/15/1066796415.db2.gz FWYKEDSOUOMOMB-HXUWFJFHSA-N 0 0 453.579 4.890 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCCc4sccc43)c2)cc1 ZINC001447343301 1066796482 /nfs/dbraw/zinc/79/64/82/1066796482.db2.gz IHVMOGNJIBICTG-NRFANRHFSA-N 0 0 456.589 4.755 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001447342713 1066796519 /nfs/dbraw/zinc/79/65/19/1066796519.db2.gz BAXQYFLJKMZBFO-MELADBBJSA-N 0 0 451.796 4.655 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCCc4sccc43)c2)cc1 ZINC001447343306 1066796542 /nfs/dbraw/zinc/79/65/42/1066796542.db2.gz IHVMOGNJIBICTG-OAQYLSRUSA-N 0 0 456.589 4.755 20 0 JJADRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)C2)cc1 ZINC001447344767 1066796593 /nfs/dbraw/zinc/79/65/93/1066796593.db2.gz KLZMLRVOOUTADJ-RPLLCQBOSA-N 0 0 455.602 4.637 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492668574 1066796983 /nfs/dbraw/zinc/79/69/83/1066796983.db2.gz QBIDPUQIUXRZJM-REWPJTCUSA-N 0 0 475.703 4.728 20 0 JJADRN O=C(C1CC(O)(c2cccc(Cl)c2)C1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001447348074 1066797155 /nfs/dbraw/zinc/79/71/55/1066797155.db2.gz KIKQKFIURAUXMT-UHFFFAOYSA-N 0 0 455.179 4.938 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001457240466 1066797285 /nfs/dbraw/zinc/79/72/85/1066797285.db2.gz BZGDZRPJGIULTH-OAHLLOKOSA-N 0 0 456.637 4.589 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@@]2(C)CCCS2)cs1 ZINC001492669037 1066797324 /nfs/dbraw/zinc/79/73/24/1066797324.db2.gz HCBDGZKFCFHMQQ-HSZRJFAPSA-N 0 0 457.669 4.743 20 0 JJADRN O=C(Nc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1)OCC(F)(F)F ZINC001447357640 1066797498 /nfs/dbraw/zinc/79/74/98/1066797498.db2.gz AJUWIBDKVSNGPZ-NRFANRHFSA-N 0 0 458.436 4.928 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001457244712 1066797571 /nfs/dbraw/zinc/79/75/71/1066797571.db2.gz KCGOPATYTJVLOP-LBPRGKRZSA-N 0 0 452.502 4.548 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001457245937 1066797597 /nfs/dbraw/zinc/79/75/97/1066797597.db2.gz HYWSWMHWVYWXTI-HSZRJFAPSA-N 0 0 453.336 4.760 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC001447351316 1066797663 /nfs/dbraw/zinc/79/76/63/1066797663.db2.gz YWDNTVJGAGTCEA-UHFFFAOYSA-N 0 0 456.468 4.671 20 0 JJADRN Cc1oc2ccccc2c1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001447361038 1066797949 /nfs/dbraw/zinc/79/79/49/1066797949.db2.gz QKSNWDIIODQWOO-DEOSSOPVSA-N 0 0 450.560 4.514 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccc(-c4ccccc4)cc3)c(=O)oc2c1 ZINC001447359327 1066797991 /nfs/dbraw/zinc/79/79/91/1066797991.db2.gz GLAKFAHYNVKHRU-VWLOTQADSA-N 0 0 457.526 4.559 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCCN2CCCCCC2=O)cs1 ZINC001492669681 1066798221 /nfs/dbraw/zinc/79/82/21/1066798221.db2.gz GRQLJCMCWLYYOH-UHFFFAOYSA-N 0 0 498.672 4.981 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H]2CCC[C@H](O)C2)cs1 ZINC001492669588 1066798255 /nfs/dbraw/zinc/79/82/55/1066798255.db2.gz CCHVQDLGMKCPOP-KNQAVFIVSA-N 0 0 457.619 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2CCc2nc(C(C)(C)C)cs2)cs1 ZINC001492669850 1066798553 /nfs/dbraw/zinc/79/85/53/1066798553.db2.gz JFKYRXFCHJULDU-UHFFFAOYSA-N 0 0 496.706 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492669646 1066798627 /nfs/dbraw/zinc/79/86/27/1066798627.db2.gz FPODQZPAHNPYDY-QAPCUYQASA-N 0 0 457.566 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1 ZINC001457260922 1066798808 /nfs/dbraw/zinc/79/88/08/1066798808.db2.gz ZKRTXJSYDOHEMV-GHXNOFRVSA-N 0 0 454.954 4.826 20 0 JJADRN Cc1oc2ccccc2c1CNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001447361041 1066798693 /nfs/dbraw/zinc/79/86/93/1066798693.db2.gz QKSNWDIIODQWOO-XMMPIXPASA-N 0 0 450.560 4.514 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(C)n(-c4ccc(C)cc4)n3)ccc2C)ccn1 ZINC001457264220 1066799121 /nfs/dbraw/zinc/79/91/21/1066799121.db2.gz DUBOOGLJRWLXAN-UHFFFAOYSA-N 0 0 455.518 4.597 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC001447365538 1066799228 /nfs/dbraw/zinc/79/92/28/1066799228.db2.gz BIQAXWJFPAMWNU-FQEVSTJZSA-N 0 0 458.990 4.962 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001457265133 1066799199 /nfs/dbraw/zinc/79/91/99/1066799199.db2.gz IAKAYORHBBTFOC-NHCUHLMSSA-N 0 0 458.558 4.816 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(N3CCCCCC3)nc2)n1 ZINC001457265467 1066799224 /nfs/dbraw/zinc/79/92/24/1066799224.db2.gz IULOSVXLEOGWDQ-UHFFFAOYSA-N 0 0 455.946 4.607 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccn(CCC(F)(F)F)n2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457264808 1066799271 /nfs/dbraw/zinc/79/92/71/1066799271.db2.gz GRPRZPWHCYBNDQ-QGZVFWFLSA-N 0 0 456.468 4.665 20 0 JJADRN CC(=O)N1Cc2ccc(NC(=O)c3cccnc3Oc3ccc(Br)cc3)cc2C1 ZINC001457266993 1066799538 /nfs/dbraw/zinc/79/95/38/1066799538.db2.gz LNEKGLRPFMYVGA-UHFFFAOYSA-N 0 0 452.308 4.751 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccs3)C(C)C)n2CC(=O)NC2CCCCC2)cs1 ZINC001492670276 1066799551 /nfs/dbraw/zinc/79/95/51/1066799551.db2.gz QSTKCENWRSPXRD-UHFFFAOYSA-N 0 0 472.684 4.559 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001457266681 1066799600 /nfs/dbraw/zinc/79/96/00/1066799600.db2.gz NLQXYXXOXOVOPE-IBGZPJMESA-N 0 0 456.542 4.656 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492670127 1066799589 /nfs/dbraw/zinc/79/95/89/1066799589.db2.gz OLUNZXYGZFCJAK-UHFFFAOYSA-N 0 0 471.656 4.839 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC001447369046 1066800096 /nfs/dbraw/zinc/80/00/96/1066800096.db2.gz WDEBRQTXFSRVJU-XMSQKQJNSA-N 0 0 453.366 4.583 20 0 JJADRN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1OC(C)C ZINC001447368383 1066800222 /nfs/dbraw/zinc/80/02/22/1066800222.db2.gz BKOZXUYOERTLDK-UHFFFAOYSA-N 0 0 458.511 4.675 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCc2nccc(C(F)(F)F)n2)cs1 ZINC001492670754 1066800620 /nfs/dbraw/zinc/80/06/20/1066800620.db2.gz JXCTXZKAOJRIED-AWEZNQCLSA-N 0 0 479.576 4.558 20 0 JJADRN Cn1cc(Br)c(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)n1 ZINC001457270316 1066800761 /nfs/dbraw/zinc/80/07/61/1066800761.db2.gz VKXUWZQDMMAKAN-UHFFFAOYSA-N 0 0 450.724 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2CCN(CC(F)(F)F)c3ccccc32)C1 ZINC001457273900 1066801223 /nfs/dbraw/zinc/80/12/23/1066801223.db2.gz ACOWWMOTGMXDEP-QGZVFWFLSA-N 0 0 455.521 4.829 20 0 JJADRN CC(C)O[C@H]1C[C@H](NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1(C)C ZINC001447380937 1066801946 /nfs/dbraw/zinc/80/19/46/1066801946.db2.gz YPITUJAQUJHNJO-GOTSBHOMSA-N 0 0 452.620 4.690 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)c3cccc4cc(O)ccc43)C2=O)ccc1Br ZINC001447384522 1066802193 /nfs/dbraw/zinc/80/21/93/1066802193.db2.gz QPSQYMUVCYAJDC-NRFANRHFSA-N 0 0 453.336 4.542 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492671369 1066802123 /nfs/dbraw/zinc/80/21/23/1066802123.db2.gz VMGHJZZRPOYGFR-IAGOWNOFSA-N 0 0 462.664 4.516 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC001457277294 1066802059 /nfs/dbraw/zinc/80/20/59/1066802059.db2.gz JJOHDVJTTAMLLE-CMDGGOBGSA-N 0 0 457.324 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457276941 1066802119 /nfs/dbraw/zinc/80/21/19/1066802119.db2.gz MEADOTHKSCLKTJ-SFHVURJKSA-N 0 0 455.521 4.828 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc4cc(O)ccc43)C2=O)ccc1Br ZINC001447384525 1066802225 /nfs/dbraw/zinc/80/22/25/1066802225.db2.gz QPSQYMUVCYAJDC-OAQYLSRUSA-N 0 0 453.336 4.542 20 0 JJADRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001457277861 1066802561 /nfs/dbraw/zinc/80/25/61/1066802561.db2.gz TYHYSZMFNCIGFJ-OAQYLSRUSA-N 0 0 458.647 4.599 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001447386367 1066802641 /nfs/dbraw/zinc/80/26/41/1066802641.db2.gz NAGKSCSNTKRLRH-LEWJYISDSA-N 0 0 475.630 4.623 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001447394085 1066802724 /nfs/dbraw/zinc/80/27/24/1066802724.db2.gz BHEPBRUGMURYHS-UHFFFAOYSA-N 0 0 454.958 4.693 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc21)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457280193 1066802602 /nfs/dbraw/zinc/80/26/02/1066802602.db2.gz VDMHITOKXBYCMV-UHFFFAOYSA-N 0 0 454.246 4.548 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Br)NC(=O)CO4)nc2)cc1 ZINC001457279085 1066802771 /nfs/dbraw/zinc/80/27/71/1066802771.db2.gz QKJBMJOXBMYVDQ-UHFFFAOYSA-N 0 0 454.280 4.528 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492671482 1066802715 /nfs/dbraw/zinc/80/27/15/1066802715.db2.gz XOQDVCXDDQTHIG-HUUCEWRRSA-N 0 0 465.545 4.867 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC001545995272 1066803405 /nfs/dbraw/zinc/80/34/05/1066803405.db2.gz OXKHQYSBXWSZHE-GOSISDBHSA-N 0 0 493.052 4.508 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1c2ccccc2-c2ccccc21 ZINC001457286169 1066804046 /nfs/dbraw/zinc/80/40/46/1066804046.db2.gz SCDLFZWZKQZOKQ-UHFFFAOYSA-N 0 0 456.361 4.695 20 0 JJADRN Cc1cc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)ncc1Br ZINC001457287045 1066804059 /nfs/dbraw/zinc/80/40/59/1066804059.db2.gz BDZPIHALYYGLEO-JOCHJYFZSA-N 0 0 454.368 4.628 20 0 JJADRN COc1nsc(C(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)c1Br ZINC001447398666 1066803899 /nfs/dbraw/zinc/80/38/99/1066803899.db2.gz KGZLZXCMVHCHIB-CYBMUJFWSA-N 0 0 450.402 4.886 20 0 JJADRN CC(C)c1ccc(CC2CCN(C(=O)[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC001447401410 1066803973 /nfs/dbraw/zinc/80/39/73/1066803973.db2.gz AOEVEBLGCZYLMD-FQEVSTJZSA-N 0 0 456.652 4.645 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCN(C)CC(F)(F)F)cs1 ZINC001492672393 1066804369 /nfs/dbraw/zinc/80/43/69/1066804369.db2.gz SKPABYOSJIYLDH-UHFFFAOYSA-N 0 0 470.609 4.701 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)C)C3)n2CCc2ccccc2OC(F)F)cs1 ZINC001492672745 1066805024 /nfs/dbraw/zinc/80/50/24/1066805024.db2.gz FTDVGIYMTDUJEV-SFHVURJKSA-N 0 0 461.582 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492672748 1066805112 /nfs/dbraw/zinc/80/51/12/1066805112.db2.gz XLVDLFXREPRPKF-JPYJTQIMSA-N 0 0 493.599 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCSC2(C)C)cs1 ZINC001492673052 1066805536 /nfs/dbraw/zinc/80/55/36/1066805536.db2.gz KLUFYJKWMWJVFM-OAHLLOKOSA-N 0 0 459.607 4.944 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492673075 1066805575 /nfs/dbraw/zinc/80/55/75/1066805575.db2.gz LRRNIXAZLVVVBW-UHFFFAOYSA-N 0 0 476.691 4.810 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CCSC2(C)C)cs1 ZINC001492673051 1066805638 /nfs/dbraw/zinc/80/56/38/1066805638.db2.gz KLUFYJKWMWJVFM-HNNXBMFYSA-N 0 0 459.607 4.944 20 0 JJADRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457294519 1066805662 /nfs/dbraw/zinc/80/56/62/1066805662.db2.gz LXKWWEZMROTFKP-HKUYNNGSSA-N 0 0 457.562 4.566 20 0 JJADRN Cc1cccc2c(C(=O)N3CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC3)coc21 ZINC001457296064 1066805734 /nfs/dbraw/zinc/80/57/34/1066805734.db2.gz SAMBAPZIOCXYCV-UHFFFAOYSA-N 0 0 459.543 4.586 20 0 JJADRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457294533 1066805892 /nfs/dbraw/zinc/80/58/92/1066805892.db2.gz LXKWWEZMROTFKP-PKOBYXMFSA-N 0 0 457.562 4.566 20 0 JJADRN CCCN(CCc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC001447412075 1066805886 /nfs/dbraw/zinc/80/58/86/1066805886.db2.gz KXKCMOCBRJLEFP-UHFFFAOYSA-N 0 0 456.633 4.630 20 0 JJADRN CCCc1c(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[nH]c(C)c1C(=O)OC ZINC001447409841 1066805901 /nfs/dbraw/zinc/80/59/01/1066805901.db2.gz DVNGZJFIJMDWFE-KRWDZBQOSA-N 0 0 451.592 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673359 1066806272 /nfs/dbraw/zinc/80/62/72/1066806272.db2.gz RLJGIZHMDXHNRH-ICSRJNTNSA-N 0 0 488.702 4.906 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2Cc3ccc(Br)cc3C2)cs1 ZINC001447415986 1066806415 /nfs/dbraw/zinc/80/64/15/1066806415.db2.gz SEESNEOWMUPFGP-NSHDSACASA-N 0 0 452.374 4.647 20 0 JJADRN COc1cc(C)c(Br)cc1NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447416647 1066806470 /nfs/dbraw/zinc/80/64/70/1066806470.db2.gz VMXRAXKMMGPJSO-CDNLZTBQSA-N 0 0 453.377 4.908 20 0 JJADRN COc1ccc([C@@H](CC(=O)OCc2ccc(OC)c(SC(F)(F)F)c2)NC(C)=O)cc1 ZINC001457297059 1066806432 /nfs/dbraw/zinc/80/64/32/1066806432.db2.gz WWCYYKAPEQTSCE-QGZVFWFLSA-N 0 0 457.470 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C2)C1 ZINC001447422222 1066806840 /nfs/dbraw/zinc/80/68/40/1066806840.db2.gz XXJICZMWMISWHZ-SANMLTNESA-N 0 0 455.599 4.679 20 0 JJADRN COc1cc(C)c(Br)cc1NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447416677 1066806945 /nfs/dbraw/zinc/80/69/45/1066806945.db2.gz VMXRAXKMMGPJSO-XVJNWHFHSA-N 0 0 453.377 4.908 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492673957 1066807913 /nfs/dbraw/zinc/80/79/13/1066807913.db2.gz GXHSSGRZXKRZFI-LSDHHAIUSA-N 0 0 465.545 4.858 20 0 JJADRN O=C(Nc1ccc(F)cc1I)c1cc(F)c(F)cc1Br ZINC001457313965 1066808212 /nfs/dbraw/zinc/80/82/12/1066808212.db2.gz IQJHHUVYIUZHOR-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545995661 1066808147 /nfs/dbraw/zinc/80/81/47/1066808147.db2.gz WMERDQKSPGSPSH-NHCUHLMSSA-N 0 0 483.636 4.913 20 0 JJADRN C[C@@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1cccc(Cl)c1 ZINC001447435891 1066808572 /nfs/dbraw/zinc/80/85/72/1066808572.db2.gz QCWXWTTXXYWWQM-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC001545995814 1066808765 /nfs/dbraw/zinc/80/87/65/1066808765.db2.gz YZWAQOXJDVFTIH-JOCHJYFZSA-N 0 0 451.659 4.899 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2nc(C)c(C)s2)cs1 ZINC001492674132 1066808599 /nfs/dbraw/zinc/80/85/99/1066808599.db2.gz LIUVLXNUWJVTQA-UHFFFAOYSA-N 0 0 470.590 4.924 20 0 JJADRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457315860 1066808735 /nfs/dbraw/zinc/80/87/35/1066808735.db2.gz MULIAAGQUXHEQY-LSDHHAIUSA-N 0 0 456.340 4.910 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCN(C)c2ccccc2)cs1 ZINC001492674134 1066808703 /nfs/dbraw/zinc/80/87/03/1066808703.db2.gz LPCCZIUAMICDOQ-UHFFFAOYSA-N 0 0 478.588 4.939 20 0 JJADRN C[C@]1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCO[C@@H]1C1CC1 ZINC001447438427 1066809173 /nfs/dbraw/zinc/80/91/73/1066809173.db2.gz RCZASEBDFFYHMP-NFBKMPQASA-N 0 0 457.368 4.636 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCO1 ZINC001546089865 1066809307 /nfs/dbraw/zinc/80/93/07/1066809307.db2.gz XWQWCHJNCKNUNF-DENIHFKCSA-N 0 0 463.479 4.967 20 0 JJADRN C[C@]1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCO[C@H]1C1CC1 ZINC001447438433 1066809931 /nfs/dbraw/zinc/80/99/31/1066809931.db2.gz RCZASEBDFFYHMP-NZQKXSOJSA-N 0 0 457.368 4.636 20 0 JJADRN C[C@@H]1CCCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)[C@@H]1CO ZINC001457320136 1066809820 /nfs/dbraw/zinc/80/98/20/1066809820.db2.gz MSIUEDLHVNDXKI-IIBYNOLFSA-N 0 0 477.552 4.815 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001447447809 1066810293 /nfs/dbraw/zinc/81/02/93/1066810293.db2.gz RGKDSQNXTATMNR-JBYIUTFZSA-N 0 0 454.567 4.879 20 0 JJADRN CC[C@H](C)c1ccc(-c2cc(C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)c3ccccc3n2)cc1 ZINC001457325839 1066810382 /nfs/dbraw/zinc/81/03/82/1066810382.db2.gz VHNHLLBCXNUOBK-BBTUJRGHSA-N 0 0 465.619 4.602 20 0 JJADRN Cc1ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)cc1Br ZINC001457322629 1066810421 /nfs/dbraw/zinc/81/04/21/1066810421.db2.gz BHLCPVYGFRDXCN-INIZCTEOSA-N 0 0 456.287 4.635 20 0 JJADRN Cc1ncc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1Br ZINC001457324602 1066810437 /nfs/dbraw/zinc/81/04/37/1066810437.db2.gz HPIPVVZTOUVTRF-UHFFFAOYSA-N 0 0 452.234 4.957 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC001447450814 1066811099 /nfs/dbraw/zinc/81/10/99/1066811099.db2.gz NOVSTLRPHGFZRY-QGZVFWFLSA-N 0 0 452.551 4.996 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2Cc2ccc([C@H](C)O)cc2)cs1 ZINC001492675974 1066811375 /nfs/dbraw/zinc/81/13/75/1066811375.db2.gz QIGMPOADBOMARB-IBGZPJMESA-N 0 0 483.682 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cc(Br)cs3)cn2)CC1 ZINC001447453176 1066811515 /nfs/dbraw/zinc/81/15/15/1066811515.db2.gz ZKZCDWWWCLORHC-UHFFFAOYSA-N 0 0 455.378 4.531 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447459897 1066811554 /nfs/dbraw/zinc/81/15/54/1066811554.db2.gz JWMBHIFXQRCGDM-IBGZPJMESA-N 0 0 456.543 4.591 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC001457335300 1066811787 /nfs/dbraw/zinc/81/17/87/1066811787.db2.gz BNLIRQHOZHZZIX-DEOSSOPVSA-N 0 0 457.599 4.726 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCCC(F)(F)C2)cs1 ZINC001492676058 1066811901 /nfs/dbraw/zinc/81/19/01/1066811901.db2.gz SXRGFMNCNMSHSY-HNNXBMFYSA-N 0 0 493.546 4.743 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2Cc2ccccc2OC(F)F)cs1 ZINC001492676148 1066811918 /nfs/dbraw/zinc/81/19/18/1066811918.db2.gz WHUMDCLXHPAZIJ-LJQANCHMSA-N 0 0 477.581 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)cs1 ZINC001492676154 1066811943 /nfs/dbraw/zinc/81/19/43/1066811943.db2.gz WPIUFVJRSBUSAC-XMMPIXPASA-N 0 0 489.711 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001447461198 1066811954 /nfs/dbraw/zinc/81/19/54/1066811954.db2.gz MEXGZTCWTYVIMZ-SFHVURJKSA-N 0 0 455.368 4.653 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2Cc2nc(C(C)C)cs2)cs1 ZINC001492675498 1066812553 /nfs/dbraw/zinc/81/25/53/1066812553.db2.gz AIZTWGCDRFEWAF-UHFFFAOYSA-N 0 0 460.673 4.656 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C/C=C/c2ccccc2)cs1 ZINC001492676299 1066812562 /nfs/dbraw/zinc/81/25/62/1066812562.db2.gz BFILARYSADZWGE-WEVVVXLNSA-N 0 0 456.413 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2Cc2ccc(F)c(Cl)c2)cs1 ZINC001492676288 1066812604 /nfs/dbraw/zinc/81/26/04/1066812604.db2.gz BAMNCISXVAHEIP-UHFFFAOYSA-N 0 0 482.810 4.964 20 0 JJADRN O=C(c1ccc(C(F)(F)F)c(=O)[nH]1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447466450 1066812709 /nfs/dbraw/zinc/81/27/09/1066812709.db2.gz VMFUNPPACNNLAU-MRXNPFEDSA-N 0 0 450.392 4.753 20 0 JJADRN CC[C@H](CNC(=O)CCNC(=O)c1ccc2ccccc2c1)Oc1ccccc1C(F)(F)F ZINC001457341124 1066812940 /nfs/dbraw/zinc/81/29/40/1066812940.db2.gz UKNRCGDVXCKLBY-HXUWFJFHSA-N 0 0 458.480 4.952 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1)Oc1ccccc1C(F)(F)F ZINC001457344485 1066813486 /nfs/dbraw/zinc/81/34/86/1066813486.db2.gz QZXJZPRSYQFUKK-KZULUSFZSA-N 0 0 458.839 4.965 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC001457342047 1066813518 /nfs/dbraw/zinc/81/35/18/1066813518.db2.gz DKWUTGRUTSZKOC-FQEVSTJZSA-N 0 0 457.361 4.946 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[C@@H](C)O2 ZINC001457342697 1066813567 /nfs/dbraw/zinc/81/35/67/1066813567.db2.gz IFCFRYDMZCHHJT-SPLOXXLWSA-N 0 0 453.377 4.519 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCOc2ccc(F)cc2)cs1 ZINC001492676562 1066813602 /nfs/dbraw/zinc/81/36/02/1066813602.db2.gz IVSNBSUMEUWTFT-MRXNPFEDSA-N 0 0 465.545 4.724 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(-c2ccncc2)cc1 ZINC001457345154 1066814085 /nfs/dbraw/zinc/81/40/85/1066814085.db2.gz IFVCWNUFQUTBFD-RTOPAQNCSA-N 0 0 452.352 4.861 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001447480840 1066814146 /nfs/dbraw/zinc/81/41/46/1066814146.db2.gz VHJWTPVNEFMCIZ-QHCPKHFHSA-N 0 0 454.364 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492676763 1066814373 /nfs/dbraw/zinc/81/43/73/1066814373.db2.gz OCYHQTOVUTWHLW-CVEARBPZSA-N 0 0 475.556 4.567 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N(Cc1cccs1)CC(F)(F)F ZINC001457354048 1066814664 /nfs/dbraw/zinc/81/46/64/1066814664.db2.gz RMAUDGNTOCCEFM-NSHDSACASA-N 0 0 451.297 4.999 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCOc2ccc(Cl)cn2)cs1 ZINC001492676911 1066814680 /nfs/dbraw/zinc/81/46/80/1066814680.db2.gz RCWSWLVOUJPTHT-CQSZACIVSA-N 0 0 486.951 4.540 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)c(C)cc2Br)cnn1CCO[C@@H]1CCCCO1 ZINC001447491362 1066815380 /nfs/dbraw/zinc/81/53/80/1066815380.db2.gz POOZPUHFHIRSLJ-GOSISDBHSA-N 0 0 456.768 4.711 20 0 JJADRN CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CCN1Cc1ccccc1 ZINC001447495446 1066815511 /nfs/dbraw/zinc/81/55/11/1066815511.db2.gz FGFXJSBRCXHGSB-FQEVSTJZSA-N 0 0 456.512 4.936 20 0 JJADRN CN(C(=O)Cc1c(Br)cnn1C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001457358759 1066815824 /nfs/dbraw/zinc/81/58/24/1066815824.db2.gz MVSIKFQZPHZEAS-FQEVSTJZSA-N 0 0 450.739 4.766 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4cc(F)cc(C)c4C3)n2CCCC(F)(F)F)cs1 ZINC001492676346 1066816002 /nfs/dbraw/zinc/81/60/02/1066816002.db2.gz CIWLZGVOFRYFBJ-UHFFFAOYSA-N 0 0 453.509 4.987 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492677771 1066817185 /nfs/dbraw/zinc/81/71/85/1066817185.db2.gz MQNWZMKCQRWDLS-AZUAARDMSA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2CCC2CCN(CC(F)(F)F)CC2)cs1 ZINC001492678202 1066817662 /nfs/dbraw/zinc/81/76/62/1066817662.db2.gz UFDAZBCAOMUPTH-UHFFFAOYSA-N 0 0 470.609 4.679 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492678235 1066817844 /nfs/dbraw/zinc/81/78/44/1066817844.db2.gz UTNOKCBLAIGDNH-UHFFFAOYSA-N 0 0 451.518 4.803 20 0 JJADRN C/C=C\C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC ZINC001447521251 1066817925 /nfs/dbraw/zinc/81/79/25/1066817925.db2.gz LHZWCECOLKFFIN-YHAGJJCESA-N 0 0 454.596 4.985 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 ZINC001447521926 1066817941 /nfs/dbraw/zinc/81/79/41/1066817941.db2.gz CEFZJRHGVIJPHZ-AWEZNQCLSA-N 0 0 456.033 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492678394 1066818385 /nfs/dbraw/zinc/81/83/85/1066818385.db2.gz JBXOVRPDVCSYRF-SFHVURJKSA-N 0 0 474.675 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001447522305 1066818444 /nfs/dbraw/zinc/81/84/44/1066818444.db2.gz IBRKZGFHLVDZQU-ZJIFWQFVSA-N 0 0 464.431 4.511 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2C[C@@](C)(O)c2ccccc2Cl)cs1 ZINC001492678451 1066818913 /nfs/dbraw/zinc/81/89/13/1066818913.db2.gz XUOZOLKPANFEIS-QMHKHESXSA-N 0 0 460.047 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492678847 1066819387 /nfs/dbraw/zinc/81/93/87/1066819387.db2.gz PLQADNIXUPIJBI-SFHVURJKSA-N 0 0 494.587 4.880 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3cc(Br)c(F)cc3Cl)cc2C1=O ZINC001457379345 1066819454 /nfs/dbraw/zinc/81/94/54/1066819454.db2.gz CYESEBNXEBXTMN-UHFFFAOYSA-N 0 0 453.695 4.890 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1N1CCOC1=O ZINC001457380794 1066819581 /nfs/dbraw/zinc/81/95/81/1066819581.db2.gz SLUAPUWIQJJEMR-UHFFFAOYSA-N 0 0 454.118 4.729 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492678846 1066819449 /nfs/dbraw/zinc/81/94/49/1066819449.db2.gz PLQADNIXUPIJBI-GOSISDBHSA-N 0 0 494.587 4.880 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)CCC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545997105 1066819621 /nfs/dbraw/zinc/81/96/21/1066819621.db2.gz JWZXYQITGQUDAO-HSZRJFAPSA-N 0 0 485.673 4.734 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@H](C)c2ccccc2)cs1 ZINC001492678955 1066820099 /nfs/dbraw/zinc/82/00/99/1066820099.db2.gz QZHSMXNPBOWEJF-OXQOHEQNSA-N 0 0 479.572 4.985 20 0 JJADRN C[C@@H](CC(=O)Nc1cc(Br)c(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC001457390834 1066820654 /nfs/dbraw/zinc/82/06/54/1066820654.db2.gz WCGIUBPCMPPILZ-VIFPVBQESA-N 0 0 452.704 4.572 20 0 JJADRN C[C@@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)Oc1ccccc1Br ZINC001457394623 1066821197 /nfs/dbraw/zinc/82/11/97/1066821197.db2.gz MHJBFOGQWBRSAA-ZDUSSCGKSA-N 0 0 451.336 4.770 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)NC[C@H](C)Oc2ccccc2Br)s1 ZINC001457393527 1066821246 /nfs/dbraw/zinc/82/12/46/1066821246.db2.gz IOUPYNYQTODFEL-JTQLQIEISA-N 0 0 450.358 4.683 20 0 JJADRN C[C@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)Oc1ccccc1Br ZINC001457394619 1066821273 /nfs/dbraw/zinc/82/12/73/1066821273.db2.gz MHJBFOGQWBRSAA-CYBMUJFWSA-N 0 0 451.336 4.770 20 0 JJADRN C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001457392743 1066821374 /nfs/dbraw/zinc/82/13/74/1066821374.db2.gz ZCPOGORWTLIZJC-HNNXBMFYSA-N 0 0 456.530 4.706 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCCC2(CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545997252 1066821512 /nfs/dbraw/zinc/82/15/12/1066821512.db2.gz LVLJSQJMYAFHDY-QHCPKHFHSA-N 0 0 497.684 4.878 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3CCC(C(=O)c4cccs4)CC3)cs2)cc1OC ZINC001457397716 1066821951 /nfs/dbraw/zinc/82/19/51/1066821951.db2.gz SXVLHPALFCOAFD-UHFFFAOYSA-N 0 0 456.589 4.553 20 0 JJADRN C[C@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)Oc1ccccc1Br ZINC001457396323 1066821997 /nfs/dbraw/zinc/82/19/97/1066821997.db2.gz VOJWDNJRWQWZOD-BVZALQNUSA-N 0 0 481.431 4.902 20 0 JJADRN CCN1C(=O)CCc2cc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)ccc21 ZINC001447558975 1066822150 /nfs/dbraw/zinc/82/21/50/1066822150.db2.gz MULULYLVRKVSDB-UHFFFAOYSA-N 0 0 455.580 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CCC[C@@H]12 ZINC001457395742 1066822108 /nfs/dbraw/zinc/82/21/08/1066822108.db2.gz ZNVRCJHNBQNHID-SVMVAKDDSA-N 0 0 468.381 4.535 20 0 JJADRN Cc1cn2c(n1)C[C@H](C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC001447568633 1066823209 /nfs/dbraw/zinc/82/32/09/1066823209.db2.gz ABWOLDQAIVEOHK-DENIHFKCSA-N 0 0 457.496 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4ccccc4Cl)CC3)n2CCCC(F)(F)F)cs1 ZINC001492680612 1066823268 /nfs/dbraw/zinc/82/32/68/1066823268.db2.gz SYKQDAHNIDUBHL-UHFFFAOYSA-N 0 0 484.979 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC(C)(C)c2cccs2)cs1 ZINC001492680943 1066823642 /nfs/dbraw/zinc/82/36/42/1066823642.db2.gz GEGLUUAABQQSIB-HNNXBMFYSA-N 0 0 498.644 4.746 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)n1 ZINC001457406168 1066823738 /nfs/dbraw/zinc/82/37/38/1066823738.db2.gz IHNUOXKTFOTVFL-UHFFFAOYSA-N 0 0 459.525 4.834 20 0 JJADRN CN(C(=O)c1cccs1)c1ccccc1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC001447570547 1066823742 /nfs/dbraw/zinc/82/37/42/1066823742.db2.gz KQVNNFGBDHZYIL-UHFFFAOYSA-N 0 0 450.560 4.668 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCc2cccc(F)c2)cs1 ZINC001492681725 1066824124 /nfs/dbraw/zinc/82/41/24/1066824124.db2.gz FMFMWEGFJKBJPU-OAQYLSRUSA-N 0 0 457.619 4.657 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2ccccc2F)cs1 ZINC001492681693 1066824226 /nfs/dbraw/zinc/82/42/26/1066824226.db2.gz DRTCTAZSQVZDAC-XMMPIXPASA-N 0 0 457.619 4.657 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2cc(C(C)(C)C)no2)cs1 ZINC001492681915 1066824261 /nfs/dbraw/zinc/82/42/61/1066824261.db2.gz KVKDYSQTYOKGCJ-DEOSSOPVSA-N 0 0 472.659 4.609 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccccc2OC(F)F)cs1 ZINC001492682171 1066824869 /nfs/dbraw/zinc/82/48/69/1066824869.db2.gz QYPFBPMKHUCXCU-XMMPIXPASA-N 0 0 491.608 4.925 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457413442 1066825318 /nfs/dbraw/zinc/82/53/18/1066825318.db2.gz JZRRFMHHECSTPP-DYZYQPBXSA-N 0 0 456.675 4.980 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2cccc(C(C)(F)F)c2)cs1 ZINC001492683074 1066825332 /nfs/dbraw/zinc/82/53/32/1066825332.db2.gz NVMQSVKJTCVLNK-HNNXBMFYSA-N 0 0 461.582 4.798 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001457412213 1066825425 /nfs/dbraw/zinc/82/54/25/1066825425.db2.gz UFEHHINVGVOZGY-NVXWUHKLSA-N 0 0 456.505 4.670 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2cccc(C(C)(F)F)c2)cs1 ZINC001492683075 1066825399 /nfs/dbraw/zinc/82/53/99/1066825399.db2.gz NVMQSVKJTCVLNK-OAHLLOKOSA-N 0 0 461.582 4.798 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2cccs2)CC1)Oc1ccccc1F ZINC001545997938 1066825438 /nfs/dbraw/zinc/82/54/38/1066825438.db2.gz YXVBKMXBKQGKIR-LJQANCHMSA-N 0 0 457.619 4.861 20 0 JJADRN CCN(C(=O)c1ccc(Br)cc1Br)[C@@H](COC)Cc1ccccc1 ZINC001457415690 1066825988 /nfs/dbraw/zinc/82/59/88/1066825988.db2.gz OQGVSQWICQVNFQ-MRXNPFEDSA-N 0 0 455.190 4.931 20 0 JJADRN Cc1c(F)c(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)ccc1Br ZINC001457417155 1066826160 /nfs/dbraw/zinc/82/61/60/1066826160.db2.gz QNPRWNHKSMATTE-INIZCTEOSA-N 0 0 454.645 4.730 20 0 JJADRN C[C@H]1OCC[C@@]1(C)NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447584097 1066826184 /nfs/dbraw/zinc/82/61/84/1066826184.db2.gz CIKYBTJPZLTDIJ-DNOBIOAJSA-N 0 0 450.579 4.768 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1-c1ccc(Br)cc1 ZINC001457418781 1066827263 /nfs/dbraw/zinc/82/72/63/1066827263.db2.gz WFLSYVXYSDUUEW-UHFFFAOYSA-N 0 0 454.303 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC(C)(C)C)cs1 ZINC001492683821 1066827402 /nfs/dbraw/zinc/82/74/02/1066827402.db2.gz JIHFIRJUEXMYPR-QGZVFWFLSA-N 0 0 462.664 4.564 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)c(Cl)c2)n1 ZINC001447614474 1066828567 /nfs/dbraw/zinc/82/85/67/1066828567.db2.gz GBMWPZWLOMUGIY-GOSISDBHSA-N 0 0 452.942 4.752 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545997376 1066828737 /nfs/dbraw/zinc/82/87/37/1066828737.db2.gz NNELMYSQYNFBNB-NHCUHLMSSA-N 0 0 489.636 4.563 20 0 JJADRN COCCOc1cccc(CC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c1 ZINC001457423372 1066828820 /nfs/dbraw/zinc/82/88/20/1066828820.db2.gz UNWDGQATKQOADH-UHFFFAOYSA-N 0 0 453.848 4.955 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCc2csc(C(C)C)n2)cs1 ZINC001492684191 1066828729 /nfs/dbraw/zinc/82/87/29/1066828729.db2.gz SYFZYCWYDHYNNH-LSDHHAIUSA-N 0 0 462.714 4.787 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3CCOc3ccccc3C(C)C)C2)no1 ZINC001492685152 1066829061 /nfs/dbraw/zinc/82/90/61/1066829061.db2.gz QDMZNCHMFLCQAI-OAQYLSRUSA-N 0 0 466.630 4.830 20 0 JJADRN C[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)N1CSCCSC1 ZINC001457425230 1066829197 /nfs/dbraw/zinc/82/91/97/1066829197.db2.gz XDVYJJYVTKPDLT-SNVBAGLBSA-N 0 0 450.939 4.773 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1Br ZINC001447617008 1066829320 /nfs/dbraw/zinc/82/93/20/1066829320.db2.gz CLSCKEXMYCZTPF-QGZVFWFLSA-N 0 0 459.388 4.629 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1Br ZINC001447616999 1066829332 /nfs/dbraw/zinc/82/93/32/1066829332.db2.gz CLSCKEXMYCZTPF-KRWDZBQOSA-N 0 0 459.388 4.629 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(F)F)C2)no1 ZINC001492685431 1066829834 /nfs/dbraw/zinc/82/98/34/1066829834.db2.gz VGBIYUJXMFAIOL-KRWDZBQOSA-N 0 0 464.948 4.718 20 0 JJADRN Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C)(C)CC2)cs1 ZINC001492685237 1066829636 /nfs/dbraw/zinc/82/96/36/1066829636.db2.gz RKARWCQHPIPRQH-UHFFFAOYSA-N 0 0 452.628 4.781 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)no1 ZINC001492685269 1066829774 /nfs/dbraw/zinc/82/97/74/1066829774.db2.gz FIHBWXBTNSYXNU-INIZCTEOSA-N 0 0 476.984 4.598 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccc(F)cc1F ZINC001457426579 1066829884 /nfs/dbraw/zinc/82/98/84/1066829884.db2.gz XQFTVTOOWRBBPW-INIZCTEOSA-N 0 0 456.514 4.597 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3nc(C(C)C)cs3)C2)no1 ZINC001492685576 1066830292 /nfs/dbraw/zinc/83/02/92/1066830292.db2.gz WLQXNGCYTAHZMY-QGZVFWFLSA-N 0 0 457.648 4.645 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997580 1066830337 /nfs/dbraw/zinc/83/03/37/1066830337.db2.gz RQJBUTJNOIDVCC-NQIIRXRSSA-N 0 0 459.610 4.938 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1NC(=O)OC(C)(C)C ZINC001447622734 1066830393 /nfs/dbraw/zinc/83/03/93/1066830393.db2.gz RHTXFMHWHXRPPM-LBPRGKRZSA-N 0 0 456.381 4.594 20 0 JJADRN O=C(Nc1cc2c(cc1NC(=O)c1cc(Cl)nc(Cl)c1)OCCO2)c1cccs1 ZINC001457430507 1066830922 /nfs/dbraw/zinc/83/09/22/1066830922.db2.gz YEKAJUXXYBKBHG-UHFFFAOYSA-N 0 0 450.303 4.726 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)c1-c1ccccc1 ZINC001457434778 1066831504 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1066834842 /nfs/dbraw/zinc/83/48/42/1066834842.db2.gz BAHKVNOEOQHDDD-UHFFFAOYSA-N 0 0 450.545 4.924 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)Nc2ccccc2NCCCc2ccccc2)n1 ZINC001447645827 1066834948 /nfs/dbraw/zinc/83/49/48/1066834948.db2.gz QKBFICGMTGHDMN-UHFFFAOYSA-N 0 0 454.372 4.602 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457459571 1066835152 /nfs/dbraw/zinc/83/51/52/1066835152.db2.gz YYLCNLRQDIHACQ-IVZQSRNASA-N 0 0 454.983 4.817 20 0 JJADRN CN(C(=O)c1cc(Br)cnc1Cl)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457459446 1066835178 /nfs/dbraw/zinc/83/51/78/1066835178.db2.gz XXVSENZHCOTPAX-INIZCTEOSA-N 0 0 452.139 4.803 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn(CCC(C)C)c2CC)C1(C)C ZINC001447648722 1066835307 /nfs/dbraw/zinc/83/53/07/1066835307.db2.gz IFEJDJXHUVHPHD-CYFREDJKSA-N 0 0 450.624 4.529 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001457462550 1066835725 /nfs/dbraw/zinc/83/57/25/1066835725.db2.gz GTNMQRGUJFDMBC-AWEZNQCLSA-N 0 0 459.450 4.939 20 0 JJADRN Cc1ccc(-n2ncc(NC(=O)c3cc(Br)cn(C4CC4)c3=O)c2C(C)C)cc1 ZINC001447652585 1066836209 /nfs/dbraw/zinc/83/62/09/1066836209.db2.gz LKOKXUFUCZTQSL-UHFFFAOYSA-N 0 0 455.356 4.816 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1cc(Cl)ccn1 ZINC001457465386 1066836322 /nfs/dbraw/zinc/83/63/22/1066836322.db2.gz PYDCCEOHIRHJFS-CHHVJCJISA-N 0 0 456.738 4.508 20 0 JJADRN Cc1nc(CCn2c(Nc3ccn(C)n3)nnc2-c2ccc(Br)cc2Cl)cs1 ZINC001492691413 1066836709 /nfs/dbraw/zinc/83/67/09/1066836709.db2.gz BCIVUOFEIJKECA-UHFFFAOYSA-N 0 0 478.807 4.846 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)no1 ZINC001447654588 1066836811 /nfs/dbraw/zinc/83/68/11/1066836811.db2.gz SLVNOJXNTXHZEI-UHFFFAOYSA-N 0 0 453.926 4.768 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001492691376 1066836838 /nfs/dbraw/zinc/83/68/38/1066836838.db2.gz HEKBFXBBSLABBG-FQEVSTJZSA-N 0 0 488.702 4.760 20 0 JJADRN 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1066839262 /nfs/dbraw/zinc/83/92/62/1066839262.db2.gz PTLZUOXTMSDSFZ-UHFFFAOYSA-N 0 0 484.739 4.654 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCCc2nc(C(C)(C)C)no2)c2cc(F)ccc2OC)c1 ZINC001457475413 1066839491 /nfs/dbraw/zinc/83/94/91/1066839491.db2.gz MLXHEQXWRHYNRN-HSZRJFAPSA-N 0 0 455.530 4.752 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)F)cs1 ZINC001492694303 1066840025 /nfs/dbraw/zinc/84/00/25/1066840025.db2.gz IFKWDLUDUNIACP-SZVBFZGTSA-N 0 0 469.602 4.585 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)Oc1cccc(C(F)(F)F)c1 ZINC001457478525 1066840190 /nfs/dbraw/zinc/84/01/90/1066840190.db2.gz SFHRKKXRXKMJOB-CGTJXYLNSA-N 0 0 459.505 4.506 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3c3cccc(Cl)c3)C2=O)c1 ZINC001457479479 1066840204 /nfs/dbraw/zinc/84/02/04/1066840204.db2.gz QUVQEHZRKNDXPC-ZRBLBEILSA-N 0 0 456.970 4.553 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC001447676019 1066840348 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Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCCNC(=O)OC(C)(C)C)s1 ZINC001492695632 1066842858 /nfs/dbraw/zinc/84/28/58/1066842858.db2.gz JDYXFVIBCHZANI-UHFFFAOYSA-N 0 0 492.049 4.700 20 0 JJADRN C[C@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)CCS1 ZINC001447692267 1066843371 /nfs/dbraw/zinc/84/33/71/1066843371.db2.gz OLCWTEOEQGSQJH-HNNXBMFYSA-N 0 0 452.498 4.691 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC001457496349 1066843437 /nfs/dbraw/zinc/84/34/37/1066843437.db2.gz KMAIFNGUGAZOCH-HXUWFJFHSA-N 0 0 457.578 4.640 20 0 JJADRN Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC001457497774 1066843576 /nfs/dbraw/zinc/84/35/76/1066843576.db2.gz RZIXILYDLOWUSC-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC001457496348 1066843620 /nfs/dbraw/zinc/84/36/20/1066843620.db2.gz KMAIFNGUGAZOCH-FQEVSTJZSA-N 0 0 457.578 4.640 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC001447695578 1066843909 /nfs/dbraw/zinc/84/39/09/1066843909.db2.gz VSBBURKMVIWGKE-QHCPKHFHSA-N 0 0 451.592 4.537 20 0 JJADRN CC[C@H](CN(C)C(=O)CNC(=O)CCc1ccc(C)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC001447700019 1066844493 /nfs/dbraw/zinc/84/44/93/1066844493.db2.gz FHCHDWOPDLPXTR-GOSISDBHSA-N 0 0 451.394 4.667 20 0 JJADRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC001457504053 1066844622 /nfs/dbraw/zinc/84/46/22/1066844622.db2.gz OOCJMBTYRWFYKI-HXUWFJFHSA-N 0 0 454.593 4.849 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)s2)s1 ZINC001492695975 1066844763 /nfs/dbraw/zinc/84/47/63/1066844763.db2.gz SMOKFZLKEBQCES-UHFFFAOYSA-N 0 0 490.456 4.512 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545999543 1066845046 /nfs/dbraw/zinc/84/50/46/1066845046.db2.gz PNVKGGSHPGUOCS-RTBURBONSA-N 0 0 477.650 4.643 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCS[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545999542 1066845166 /nfs/dbraw/zinc/84/51/66/1066845166.db2.gz PNVKGGSHPGUOCS-RBUKOAKNSA-N 0 0 477.650 4.643 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447715159 1066845945 /nfs/dbraw/zinc/84/59/45/1066845945.db2.gz DBVWWBKEWZSQBH-QGZVFWFLSA-N 0 0 452.979 4.552 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)s1 ZINC001492696242 1066845927 /nfs/dbraw/zinc/84/59/27/1066845927.db2.gz ZLFFLRDRBQFGNV-HNNXBMFYSA-N 0 0 477.725 4.648 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H](C)C2)s1 ZINC001492696213 1066845981 /nfs/dbraw/zinc/84/59/81/1066845981.db2.gz XZHVXNCSFUAPOY-ZBFHGGJFSA-N 0 0 476.444 4.924 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc(C(F)(F)F)c1 ZINC001457506783 1066845910 /nfs/dbraw/zinc/84/59/10/1066845910.db2.gz HOCZXXXJPATXNF-SNVBAGLBSA-N 0 0 452.820 4.858 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457507501 1066845924 /nfs/dbraw/zinc/84/59/24/1066845924.db2.gz IAZCONVICXRXMX-CQSZACIVSA-N 0 0 452.873 4.994 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001447716074 1066846523 /nfs/dbraw/zinc/84/65/23/1066846523.db2.gz DZQPXQFFPSNNBE-CYBMUJFWSA-N 0 0 457.415 4.509 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1cc2ccccc2o1 ZINC001447716037 1066846540 /nfs/dbraw/zinc/84/65/40/1066846540.db2.gz CCMBSJIZXJSVCU-LLVKDONJSA-N 0 0 453.347 4.671 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)c1 ZINC001447716487 1066846580 /nfs/dbraw/zinc/84/65/80/1066846580.db2.gz IWDAVAQVLHQLHJ-UHFFFAOYSA-N 0 0 454.405 4.810 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457509882 1066846685 /nfs/dbraw/zinc/84/66/85/1066846685.db2.gz NKZLGFQQMAJCQG-GYCJOSAFSA-N 0 0 452.942 4.510 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cn1 ZINC001447718633 1066847097 /nfs/dbraw/zinc/84/70/97/1066847097.db2.gz MYOSZCVHIGUQMS-MHECFPHRSA-N 0 0 453.970 4.528 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3cccc(C(F)F)c3)c(O)c2)c1 ZINC001447719967 1066847128 /nfs/dbraw/zinc/84/71/28/1066847128.db2.gz QTUSEWOFUNXFER-UHFFFAOYSA-N 0 0 456.445 4.529 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(I)cc3F)c2)n1 ZINC001457511772 1066847094 /nfs/dbraw/zinc/84/70/94/1066847094.db2.gz ZCXOEQAJVUSOTO-UHFFFAOYSA-N 0 0 451.239 4.603 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC001492696529 1066847105 /nfs/dbraw/zinc/84/71/05/1066847105.db2.gz PFNHXNVZPKFMFC-OWHZGTRUSA-N 0 0 491.702 4.561 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)s1 ZINC001492696540 1066847111 /nfs/dbraw/zinc/84/71/11/1066847111.db2.gz PNSWHTKMMZYRIC-UHFFFAOYSA-N 0 0 455.632 4.555 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(C)C)s1 ZINC001492696613 1066847181 /nfs/dbraw/zinc/84/71/81/1066847181.db2.gz RVSZTOFPTOLQMI-UHFFFAOYSA-N 0 0 453.641 4.878 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)s1 ZINC001447724665 1066847566 /nfs/dbraw/zinc/84/75/66/1066847566.db2.gz CLBXXVDMCPMQMM-BVAGGSTKSA-N 0 0 452.595 4.999 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnn(C)c2C)s1 ZINC001492696659 1066847806 /nfs/dbraw/zinc/84/78/06/1066847806.db2.gz TTXVOOGSLGKWKP-SFHVURJKSA-N 0 0 465.627 4.526 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001492696857 1066848356 /nfs/dbraw/zinc/84/83/56/1066848356.db2.gz ZNJALIQACSUVGD-BBFFTDKLSA-N 0 0 479.647 4.506 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2OCCC2(C)C)s1 ZINC001492696873 1066848376 /nfs/dbraw/zinc/84/83/76/1066848376.db2.gz ZSJPFDUPQKGOPJ-YWZLYKJASA-N 0 0 459.591 4.774 20 0 JJADRN O=C(NCc1cccs1)c1cc(NC(=O)c2cncc(Br)c2)ccc1Cl ZINC001457515206 1066848392 /nfs/dbraw/zinc/84/83/92/1066848392.db2.gz FIZOBVWEXYDWPN-UHFFFAOYSA-N 0 0 450.745 4.741 20 0 JJADRN CCNC(=O)COc1ccc(NC(=O)c2cc(NCc3ccccc3)nc3ccccc32)cc1 ZINC001457516676 1066848435 /nfs/dbraw/zinc/84/84/35/1066848435.db2.gz KIGLCFACUVVTBK-UHFFFAOYSA-N 0 0 454.530 4.614 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)c(C)c2c1 ZINC001447732207 1066848819 /nfs/dbraw/zinc/84/88/19/1066848819.db2.gz KRUOBRBPPGTCIF-RPLLCQBOSA-N 0 0 451.538 4.906 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Oc1ccccc1F ZINC001545999827 1066848822 /nfs/dbraw/zinc/84/88/22/1066848822.db2.gz USSYYQDDZCZTJS-ZBLYBZFDSA-N 0 0 481.616 4.902 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)c(C)c2c1 ZINC001447732179 1066848831 /nfs/dbraw/zinc/84/88/31/1066848831.db2.gz KRUOBRBPPGTCIF-IGKIAQTJSA-N 0 0 451.538 4.906 20 0 JJADRN CC[C@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001457516863 1066848969 /nfs/dbraw/zinc/84/89/69/1066848969.db2.gz GKXSZCGHZXSWQJ-SCLBCKFNSA-N 0 0 458.552 4.802 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Oc1cccc(Oc2ccnc(C(=O)NC)c2)c1C ZINC001457517586 1066849474 /nfs/dbraw/zinc/84/94/74/1066849474.db2.gz QWLCZWVPRSIXFL-UHFFFAOYSA-N 0 0 456.445 4.638 20 0 JJADRN CC(C)c1c(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cnn1-c1ccc(F)cc1 ZINC001447736933 1066849503 /nfs/dbraw/zinc/84/95/03/1066849503.db2.gz RKNXHIYULFOUAN-ZEQKJWHPSA-N 0 0 453.533 4.778 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492697803 1066849693 /nfs/dbraw/zinc/84/96/93/1066849693.db2.gz DPBXCYQYAOREGX-MRXNPFEDSA-N 0 0 469.014 4.786 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC001447739115 1066850185 /nfs/dbraw/zinc/85/01/85/1066850185.db2.gz WGYHQPSKZCSGPE-PXDATVDWSA-N 0 0 456.558 4.824 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)cc2)s1 ZINC001492697929 1066850168 /nfs/dbraw/zinc/85/01/68/1066850168.db2.gz IGSLNVOFRCMTMS-KRWDZBQOSA-N 0 0 476.444 4.579 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(C)CC2)s1 ZINC001492698212 1066850332 /nfs/dbraw/zinc/85/03/32/1066850332.db2.gz QERZJFUOMVPIOA-UHFFFAOYSA-N 0 0 474.675 4.984 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)s1 ZINC001492698139 1066850370 /nfs/dbraw/zinc/85/03/70/1066850370.db2.gz OBAQMLFBUSHMSZ-UHFFFAOYSA-N 0 0 464.595 4.772 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccn3C)n2CCCO[C@@H](C)c2ccccc2)s1 ZINC001492697776 1066850887 /nfs/dbraw/zinc/85/08/87/1066850887.db2.gz ZVNNOGZSYOXQAH-SFHVURJKSA-N 0 0 450.612 4.853 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](CC)C3)nc1-c1ccccc1 ZINC001457522097 1066850933 /nfs/dbraw/zinc/85/09/33/1066850933.db2.gz UFKKCKZQOYIMAP-AWEZNQCLSA-N 0 0 451.548 4.855 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)CCOCC2)cc1 ZINC001447745778 1066851365 /nfs/dbraw/zinc/85/13/65/1066851365.db2.gz ZWMCQURZCRXMAT-UHFFFAOYSA-N 0 0 456.627 4.683 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001546000032 1066851645 /nfs/dbraw/zinc/85/16/45/1066851645.db2.gz YZVOBMXWPDRZMD-RTWAWAEBSA-N 0 0 471.646 4.806 20 0 JJADRN CCCCOc1ccc(CNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1Cl ZINC001447748658 1066852298 /nfs/dbraw/zinc/85/22/98/1066852298.db2.gz APBILRVMBHFBSC-DNVCBOLYSA-N 0 0 454.995 4.896 20 0 JJADRN CO[C@@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001447749346 1066852307 /nfs/dbraw/zinc/85/23/07/1066852307.db2.gz QEPZPGAHZLFUMH-OSWQYVSFSA-N 0 0 450.579 4.624 20 0 JJADRN CCOc1cccc(COC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1 ZINC001457528307 1066852403 /nfs/dbraw/zinc/85/24/03/1066852403.db2.gz FJFKNWPPXJMFQC-UHFFFAOYSA-N 0 0 453.335 4.720 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(O)c2)s1 ZINC001492698738 1066853082 /nfs/dbraw/zinc/85/30/82/1066853082.db2.gz JWNQTCAJJUGKNE-FQEVSTJZSA-N 0 0 484.626 4.505 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)s1 ZINC001492699032 1066853652 /nfs/dbraw/zinc/85/36/52/1066853652.db2.gz VECANCWYPQVAEN-OAQYLSRUSA-N 0 0 493.580 4.782 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)c2cccc(Cl)c2)cc1 ZINC001546000102 1066853792 /nfs/dbraw/zinc/85/37/92/1066853792.db2.gz AZCLVCRUHMZUPZ-QFIPXVFZSA-N 0 0 458.967 4.630 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccsc2)s1 ZINC001492699292 1066854129 /nfs/dbraw/zinc/85/41/29/1066854129.db2.gz DQGFCUPWJOPKEQ-CALCHBBNSA-N 0 0 474.656 4.560 20 0 JJADRN Cc1ncc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492699818 1066854799 /nfs/dbraw/zinc/85/47/99/1066854799.db2.gz VFAGXCOXKJWJPB-UHFFFAOYSA-N 0 0 478.544 4.739 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492700108 1066855572 /nfs/dbraw/zinc/85/55/72/1066855572.db2.gz DOJVOJDRCIRDTF-MRXNPFEDSA-N 0 0 489.045 4.905 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC001492700073 1066855577 /nfs/dbraw/zinc/85/55/77/1066855577.db2.gz COEKQDCREGNCKX-INIZCTEOSA-N 0 0 487.073 4.789 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC001447765205 1066855797 /nfs/dbraw/zinc/85/57/97/1066855797.db2.gz WCVRHIQIGKZWSN-AWEZNQCLSA-N 0 0 457.324 4.818 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001447783943 1066856293 /nfs/dbraw/zinc/85/62/93/1066856293.db2.gz FFYOQPAQRZVWJR-UHFFFAOYSA-N 0 0 457.498 4.951 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)CCOc2cccc(C(N)=O)c2)c2cccc(Cl)c2)cc1 ZINC001546000332 1066856366 /nfs/dbraw/zinc/85/63/66/1066856366.db2.gz KXPNIUPALSXVSI-XMMPIXPASA-N 0 0 452.938 4.512 20 0 JJADRN COC(=O)C1(CNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)CCCC1 ZINC001457541786 1066856402 /nfs/dbraw/zinc/85/64/02/1066856402.db2.gz WEUDSVKPFBATFW-UHFFFAOYSA-N 0 0 452.935 4.565 20 0 JJADRN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 ZINC001457542596 1066856589 /nfs/dbraw/zinc/85/65/89/1066856589.db2.gz NGRPGVXKRXNSAV-LPHOPBHVSA-N 0 0 452.407 4.747 20 0 JJADRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457545117 1066857073 /nfs/dbraw/zinc/85/70/73/1066857073.db2.gz QWFKZLIAQXLUFY-ZGOJTZKKSA-N 0 0 458.602 4.917 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492700946 1066857375 /nfs/dbraw/zinc/85/73/75/1066857375.db2.gz UTSDDFQAKRVNBK-RYUDHWBXSA-N 0 0 482.448 4.990 20 0 JJADRN CC(C)(C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447790183 1066857686 /nfs/dbraw/zinc/85/76/86/1066857686.db2.gz BVOKLKONBSGWSV-GOSISDBHSA-N 0 0 455.313 4.652 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492701120 1066857949 /nfs/dbraw/zinc/85/79/49/1066857949.db2.gz WTGDFTJXYIYFFT-QWRGUYRKSA-N 0 0 470.487 4.913 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001447792003 1066858393 /nfs/dbraw/zinc/85/83/93/1066858393.db2.gz DPICGPBEJCBLJR-UHFFFAOYSA-N 0 0 451.567 4.767 20 0 JJADRN Cc1ncc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCCCCC2)s1 ZINC001492701730 1066858404 /nfs/dbraw/zinc/85/84/04/1066858404.db2.gz DOLIVSJMCJTSBL-HDICACEKSA-N 0 0 460.648 4.633 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492701587 1066858420 /nfs/dbraw/zinc/85/84/20/1066858420.db2.gz YWQWWNBRSRHCKT-UYAOXDASSA-N 0 0 474.675 4.831 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492701422 1066858614 /nfs/dbraw/zinc/85/86/14/1066858614.db2.gz UKHJTJKANLBDIA-XYJFISCASA-N 0 0 492.715 4.536 20 0 JJADRN C[C@H]1CCc2ccccc2N1CCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457549101 1066858632 /nfs/dbraw/zinc/85/86/32/1066858632.db2.gz DSLVWMJUOIBWPE-REWPJTCUSA-N 0 0 451.611 4.990 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)C1 ZINC001447793507 1066859036 /nfs/dbraw/zinc/85/90/36/1066859036.db2.gz RFWGFLMLNBOBNL-FQEVSTJZSA-N 0 0 452.502 4.924 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(C)C)c3)CC2)s1 ZINC001492701812 1066859216 /nfs/dbraw/zinc/85/92/16/1066859216.db2.gz HXGWVPBMSDVMQW-UHFFFAOYSA-N 0 0 482.698 4.746 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC001492701738 1066859268 /nfs/dbraw/zinc/85/92/68/1066859268.db2.gz DWSFWBHFSDULGY-ROUUACIJSA-N 0 0 470.609 4.857 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)[C@H](C)C2)s1 ZINC001492702020 1066859951 /nfs/dbraw/zinc/85/99/51/1066859951.db2.gz PCLANWLDPONAIZ-FCEWJHQRSA-N 0 0 460.648 4.646 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)F)c3)CC2)s1 ZINC001492702024 1066859998 /nfs/dbraw/zinc/85/99/98/1066859998.db2.gz PEONMHRYHVPQGC-UHFFFAOYSA-N 0 0 460.598 4.550 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)cc1 ZINC001447798936 1066860151 /nfs/dbraw/zinc/86/01/51/1066860151.db2.gz AWMHNHAJEFJCJH-ICSRJNTNSA-N 0 0 476.411 4.760 20 0 JJADRN Cc1ncc(Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492702621 1066860599 /nfs/dbraw/zinc/86/05/99/1066860599.db2.gz KTWAJGAOFRRKHH-NRFANRHFSA-N 0 0 496.681 4.712 20 0 JJADRN C[C@@H](NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001457558043 1066860743 /nfs/dbraw/zinc/86/07/43/1066860743.db2.gz QXFLACQKOMPETQ-IQMFZBJNSA-N 0 0 459.443 4.672 20 0 JJADRN O=C(Nc1nnc(SCc2cccs2)s1)c1ccc2c(Br)cnn2c1 ZINC001457556633 1066860784 /nfs/dbraw/zinc/86/07/84/1066860784.db2.gz PFBMBTZBLBNPSW-UHFFFAOYSA-N 0 0 452.384 4.554 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492702844 1066861193 /nfs/dbraw/zinc/86/11/93/1066861193.db2.gz TZLUPLNEXJLJCJ-UHFFFAOYSA-N 0 0 479.654 4.646 20 0 JJADRN Cc1ccc(CC(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)c(Cl)c1 ZINC001447801282 1066861575 /nfs/dbraw/zinc/86/15/75/1066861575.db2.gz ISBJTEPINJRJLX-UHFFFAOYSA-N 0 0 454.792 4.762 20 0 JJADRN Cc1nccc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCOCC(C)C)CC2)n1 ZINC001492703206 1066861723 /nfs/dbraw/zinc/86/17/23/1066861723.db2.gz HRTMYJLFIVEYLV-UHFFFAOYSA-N 0 0 491.684 4.730 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(F)(F)F ZINC001457563169 1066862124 /nfs/dbraw/zinc/86/21/24/1066862124.db2.gz INFMCYSXVXRWDY-HXUWFJFHSA-N 0 0 453.486 4.770 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)c1ccc(I)c(Br)c1 ZINC001546000566 1066862152 /nfs/dbraw/zinc/86/21/52/1066862152.db2.gz SZASMKUCZJWOCD-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(CC(C)C)C(C)C)cn1 ZINC001492704300 1066862420 /nfs/dbraw/zinc/86/24/20/1066862420.db2.gz XSDRUFRDYZRPIG-UHFFFAOYSA-N 0 0 479.579 4.955 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457564131 1066862830 /nfs/dbraw/zinc/86/28/30/1066862830.db2.gz KARNSMZGAPNGAB-DLBZAZTESA-N 0 0 450.501 4.981 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H](C)c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001447804443 1066862812 /nfs/dbraw/zinc/86/28/12/1066862812.db2.gz GDVNXWOLUHVXEH-INIZCTEOSA-N 0 0 450.482 4.586 20 0 JJADRN Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492704412 1066863103 /nfs/dbraw/zinc/86/31/03/1066863103.db2.gz BBIFSZDEHLVQAU-UHFFFAOYSA-N 0 0 487.693 4.688 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704431 1066863333 /nfs/dbraw/zinc/86/33/33/1066863333.db2.gz BPEOQKORSGDJJB-GOSISDBHSA-N 0 0 493.475 4.965 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001457564818 1066863505 /nfs/dbraw/zinc/86/35/05/1066863505.db2.gz DZEQLWAADRHSJB-QGZVFWFLSA-N 0 0 454.548 4.585 20 0 JJADRN CO[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@H]1C ZINC001447810089 1066863808 /nfs/dbraw/zinc/86/38/08/1066863808.db2.gz OGRURDRZWBVMGK-IQMFZBJNSA-N 0 0 458.624 4.527 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC001447809305 1066863852 /nfs/dbraw/zinc/86/38/52/1066863852.db2.gz CDEGDHMOJIACNL-UHFFFAOYSA-N 0 0 454.958 4.996 20 0 JJADRN COc1c(F)cc(F)cc1NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001457566743 1066864059 /nfs/dbraw/zinc/86/40/59/1066864059.db2.gz VVFIDJWRCWQTSY-UHFFFAOYSA-N 0 0 453.239 4.864 20 0 JJADRN C[C@H](CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001447810140 1066864460 /nfs/dbraw/zinc/86/44/60/1066864460.db2.gz UMYUXWMDWDOAHA-VVRYKASASA-N 0 0 453.464 4.791 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cc(Br)ccc1F ZINC001457567706 1066864629 /nfs/dbraw/zinc/86/46/29/1066864629.db2.gz PWVCQQPPQDHACH-LJQANCHMSA-N 0 0 450.348 4.590 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001457568846 1066865404 /nfs/dbraw/zinc/86/54/04/1066865404.db2.gz WVNRLRAENIWECN-UHFFFAOYSA-N 0 0 458.330 4.872 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001492705535 1066865586 /nfs/dbraw/zinc/86/55/86/1066865586.db2.gz JBBLQUOTEOOBKD-KRWDZBQOSA-N 0 0 495.981 4.657 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001492705557 1066865598 /nfs/dbraw/zinc/86/55/98/1066865598.db2.gz JWLDRKFPMVIKNT-INIZCTEOSA-N 0 0 498.429 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC001457569465 1066865821 /nfs/dbraw/zinc/86/58/21/1066865821.db2.gz NXZZSDRCQTYJKN-ARFHVFGLSA-N 0 0 481.043 4.925 20 0 JJADRN Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001457569405 1066865830 /nfs/dbraw/zinc/86/58/30/1066865830.db2.gz MYGXOFAOTORGGE-SFHVURJKSA-N 0 0 456.539 4.787 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)c1 ZINC001457569054 1066865911 /nfs/dbraw/zinc/86/59/11/1066865911.db2.gz XCGZESLIQKQCDR-UHFFFAOYSA-N 0 0 453.347 4.943 20 0 JJADRN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1S(=O)(=O)Nc1ccccc1F ZINC001457569455 1066865922 /nfs/dbraw/zinc/86/59/22/1066865922.db2.gz NRDIHMBILLJFBL-UHFFFAOYSA-N 0 0 453.417 4.601 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC001457569858 1066866676 /nfs/dbraw/zinc/86/66/76/1066866676.db2.gz JJRWMQFQQHYBBG-UHFFFAOYSA-N 0 0 453.524 4.655 20 0 JJADRN Cc1cccc(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1Br ZINC001447834876 1066867002 /nfs/dbraw/zinc/86/70/02/1066867002.db2.gz SIDFCDNJUMGBCP-UHFFFAOYSA-N 0 0 459.413 4.870 20 0 JJADRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)c(C)n1 ZINC001457571898 1066867139 /nfs/dbraw/zinc/86/71/39/1066867139.db2.gz KVAAKMNQHZCXLP-UHFFFAOYSA-N 0 0 451.502 4.955 20 0 JJADRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c(C)n1 ZINC001457571766 1066867159 /nfs/dbraw/zinc/86/71/59/1066867159.db2.gz KGBLISFLVXVVIT-UHFFFAOYSA-N 0 0 453.955 4.982 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001492706242 1066867358 /nfs/dbraw/zinc/86/73/58/1066867358.db2.gz HQHAMKCHANLKQF-IRXDYDNUSA-N 0 0 493.439 4.763 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706253 1066867490 /nfs/dbraw/zinc/86/74/90/1066867490.db2.gz HTHGTTWJZWIXTF-LJQANCHMSA-N 0 0 454.594 4.854 20 0 JJADRN O=C(NCCc1ccccc1OC(F)F)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001447843333 1066867741 /nfs/dbraw/zinc/86/77/41/1066867741.db2.gz BRNRWTOLJKJGBV-UHFFFAOYSA-N 0 0 450.844 4.703 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)c(OCCC(C)C)c1 ZINC001457574944 1066867659 /nfs/dbraw/zinc/86/76/59/1066867659.db2.gz MYWSEPQIWVHBBK-HXUWFJFHSA-N 0 0 452.624 4.957 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001457572881 1066867928 /nfs/dbraw/zinc/86/79/28/1066867928.db2.gz ASNBYZICIDOGTF-LSTHTHJFSA-N 0 0 461.603 4.582 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492706394 1066868329 /nfs/dbraw/zinc/86/83/29/1066868329.db2.gz LVGQQZRYPFCMTD-AREMUKBSSA-N 0 0 486.611 4.774 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846207 1066868967 /nfs/dbraw/zinc/86/89/67/1066868967.db2.gz XZXFAIKFIRIMJF-WIYYLYMNSA-N 0 0 453.583 4.750 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001492706622 1066869029 /nfs/dbraw/zinc/86/90/29/1066869029.db2.gz SXGIIIQBMDOEGH-NRFANRHFSA-N 0 0 484.620 4.765 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846154 1066869161 /nfs/dbraw/zinc/86/91/61/1066869161.db2.gz XUHJLVOXLPKASZ-QUCCMNQESA-N 0 0 453.583 4.750 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001492706574 1066869167 /nfs/dbraw/zinc/86/91/67/1066869167.db2.gz RKWCYENZOGIRNN-UHFFFAOYSA-N 0 0 467.980 4.678 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492706703 1066869207 /nfs/dbraw/zinc/86/92/07/1066869207.db2.gz XCGOSWQIHRRHML-HSZRJFAPSA-N 0 0 484.620 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001447846979 1066869760 /nfs/dbraw/zinc/86/97/60/1066869760.db2.gz ZVZVBAIWUHMLLZ-QZTJIDSGSA-N 0 0 459.414 4.959 20 0 JJADRN CCCCCCOc1cc(C)ccc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC001457577189 1066869711 /nfs/dbraw/zinc/86/97/11/1066869711.db2.gz UDGNEMSUDXGUOX-UHFFFAOYSA-N 0 0 458.624 4.596 20 0 JJADRN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1ccccc1OC(F)F ZINC001447849656 1066869770 /nfs/dbraw/zinc/86/97/70/1066869770.db2.gz OFFCZZDCKJXTEN-UHFFFAOYSA-N 0 0 451.539 4.773 20 0 JJADRN C[C@@H](C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)n1ccc2ccccc2c1=O ZINC001447850015 1066869852 /nfs/dbraw/zinc/86/98/52/1066869852.db2.gz VJZCOVCTUDUOTL-KKSFZXQISA-N 0 0 453.380 4.853 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492707168 1066870004 /nfs/dbraw/zinc/87/00/04/1066870004.db2.gz NCXILHRPCDGAIL-LJQANCHMSA-N 0 0 450.631 4.842 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 ZINC001492707006 1066870034 /nfs/dbraw/zinc/87/00/34/1066870034.db2.gz IFYGJWCNHDVKKX-AWEZNQCLSA-N 0 0 463.811 4.802 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc3cc(Br)ccc3c2)ccc1OCC(=O)OC ZINC001457579976 1066870153 /nfs/dbraw/zinc/87/01/53/1066870153.db2.gz CSMUSLYFCGPRKI-UHFFFAOYSA-N 0 0 458.308 4.805 20 0 JJADRN Cn1c(NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Cl)ccc21 ZINC001457579301 1066870259 /nfs/dbraw/zinc/87/02/59/1066870259.db2.gz VZJYVMBANNPXIZ-UHFFFAOYSA-N 0 0 457.962 4.853 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492707270 1066870654 /nfs/dbraw/zinc/87/06/54/1066870654.db2.gz QFIACEOQWUFHBK-KRWDZBQOSA-N 0 0 460.424 4.503 20 0 JJADRN O=C(Cn1cc(Br)ccc1=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001457581073 1066870791 /nfs/dbraw/zinc/87/07/91/1066870791.db2.gz DPPDJSSDPAGIQP-UHFFFAOYSA-N 0 0 456.167 4.624 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1nc(-c2ccccc2)no1)NC(=O)OC(C)(C)C ZINC001457581392 1066870817 /nfs/dbraw/zinc/87/08/17/1066870817.db2.gz XHCRSQVXOZXXLL-SFHVURJKSA-N 0 0 452.511 4.730 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(Cl)c(Cl)c1 ZINC001447862814 1066871005 /nfs/dbraw/zinc/87/10/05/1066871005.db2.gz UAZKVXPBVIFMKS-SFHVURJKSA-N 0 0 458.392 4.549 20 0 JJADRN CC[C@@H](C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001457583995 1066871434 /nfs/dbraw/zinc/87/14/34/1066871434.db2.gz MVIJTRIMIBPIJY-OAQYLSRUSA-N 0 0 453.936 4.791 20 0 JJADRN Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492707749 1066871458 /nfs/dbraw/zinc/87/14/58/1066871458.db2.gz GQCPHPBSEDNNIH-UXHICEINSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(Cl)n3)C2)cc1 ZINC001457587760 1066872178 /nfs/dbraw/zinc/87/21/78/1066872178.db2.gz PEMXDXQKQIPXGG-AWEZNQCLSA-N 0 0 454.880 4.736 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492708293 1066872102 /nfs/dbraw/zinc/87/21/02/1066872102.db2.gz WANXCHVUKRVBND-JAXLGGSGSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1nccn1CCCn1c(C2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492708350 1066872322 /nfs/dbraw/zinc/87/23/22/1066872322.db2.gz XFESATZKNSCKIU-IBGZPJMESA-N 0 0 485.677 4.661 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447869381 1066872397 /nfs/dbraw/zinc/87/23/97/1066872397.db2.gz OBSDMLOOZNMYCF-DGCLKSJQSA-N 0 0 459.559 4.698 20 0 JJADRN Cc1ncc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c(Cl)c1Cl ZINC001457589350 1066872853 /nfs/dbraw/zinc/87/28/53/1066872853.db2.gz YGXSUASZQXQWOZ-UHFFFAOYSA-N 0 0 453.333 4.845 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC001447871578 1066872879 /nfs/dbraw/zinc/87/28/79/1066872879.db2.gz WBUOPRRTVQFBIQ-GOSISDBHSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001492708885 1066872981 /nfs/dbraw/zinc/87/29/81/1066872981.db2.gz OORMUCBSTQDLRN-UHFFFAOYSA-N 0 0 472.584 4.788 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492708856 1066873076 /nfs/dbraw/zinc/87/30/76/1066873076.db2.gz NWPSBKNFPTWQGH-OAQYLSRUSA-N 0 0 476.547 4.669 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492709594 1066873715 /nfs/dbraw/zinc/87/37/15/1066873715.db2.gz NMSJXHXBCNZJKM-RTBURBONSA-N 0 0 468.568 4.571 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492709223 1066873913 /nfs/dbraw/zinc/87/39/13/1066873913.db2.gz BZYFLMAGSBQLRZ-WBVHZDCISA-N 0 0 466.483 4.541 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001457593954 1066874016 /nfs/dbraw/zinc/87/40/16/1066874016.db2.gz MQRGGTACVXHXEW-OAQYLSRUSA-N 0 0 452.551 4.608 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)s3)ccc21 ZINC001447890921 1066874029 /nfs/dbraw/zinc/87/40/29/1066874029.db2.gz LHIHBXBMHKBJMY-UHFFFAOYSA-N 0 0 450.520 4.528 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)[C@@H](C)Sc1ccc(Br)cc1)c1ccccc1 ZINC001457595218 1066874049 /nfs/dbraw/zinc/87/40/49/1066874049.db2.gz IFKNOTZBVJLABF-KDOFPFPSSA-N 0 0 450.398 4.986 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1cccs1 ZINC001492710056 1066874544 /nfs/dbraw/zinc/87/45/44/1066874544.db2.gz BQMOYXJOLPQOPK-UHFFFAOYSA-N 0 0 471.428 4.653 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Nc1cc(-c3ccccc3C)nn1CCO)ccc2Br ZINC001457594629 1066874568 /nfs/dbraw/zinc/87/45/68/1066874568.db2.gz PDLOUMSBKBSLRR-UHFFFAOYSA-N 0 0 454.324 4.920 20 0 JJADRN CCCc1ccc(-c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)n(CCO)n2)cc1 ZINC001457594713 1066874593 /nfs/dbraw/zinc/87/45/93/1066874593.db2.gz PPXAASDLLOYNOO-UHFFFAOYSA-N 0 0 452.864 4.814 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447905136 1066874773 /nfs/dbraw/zinc/87/47/73/1066874773.db2.gz OTGJVVOCIMJKJI-QHCPKHFHSA-N 0 0 453.897 4.689 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001457595296 1066874694 /nfs/dbraw/zinc/87/46/94/1066874694.db2.gz HIPUKUYWZSPVEC-DNVCBOLYSA-N 0 0 458.352 4.793 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC1CC1 ZINC001492710394 1066875184 /nfs/dbraw/zinc/87/51/84/1066875184.db2.gz NNSZCBURQHLNCS-UHFFFAOYSA-N 0 0 463.811 4.802 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001492710304 1066875201 /nfs/dbraw/zinc/87/52/01/1066875201.db2.gz KOTDWXUAGGZYLQ-OKILXGFUSA-N 0 0 463.811 4.658 20 0 JJADRN O=C(NCCc1nc2cc(Cl)ccc2s1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457597228 1066875307 /nfs/dbraw/zinc/87/53/07/1066875307.db2.gz WHIMCCMDNXHBHM-LJQANCHMSA-N 0 0 457.983 4.800 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447908749 1066875353 /nfs/dbraw/zinc/87/53/53/1066875353.db2.gz VXASDPUJTGNPQZ-PIGZYNQJSA-N 0 0 459.732 4.504 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447908735 1066875374 /nfs/dbraw/zinc/87/53/74/1066875374.db2.gz VXASDPUJTGNPQZ-DIFFPNOSSA-N 0 0 459.732 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC001447907456 1066875508 /nfs/dbraw/zinc/87/55/08/1066875508.db2.gz YIZKRBALHOMTJB-HXUWFJFHSA-N 0 0 454.970 4.806 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cc(-c4ccccc4F)no3)cn2)C1 ZINC001457603529 1066875963 /nfs/dbraw/zinc/87/59/63/1066875963.db2.gz CYTHKDOATVUOOG-MRXNPFEDSA-N 0 0 455.490 4.502 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492710562 1066876000 /nfs/dbraw/zinc/87/60/00/1066876000.db2.gz UNLMDPQKHDBXEZ-KBPBESRZSA-N 0 0 451.427 4.787 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492710604 1066876170 /nfs/dbraw/zinc/87/61/70/1066876170.db2.gz VTSUUOWJBKXTAY-QGZVFWFLSA-N 0 0 475.410 4.924 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492711861 1066876888 /nfs/dbraw/zinc/87/68/88/1066876888.db2.gz IVWPUOGYZUNKOY-PMACEKPBSA-N 0 0 450.631 4.842 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1ccc(-c2ccccc2)o1 ZINC001457608561 1066877302 /nfs/dbraw/zinc/87/73/02/1066877302.db2.gz RWYRIKLFLDGVGY-UHFFFAOYSA-N 0 0 452.308 4.817 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(F)F)C1)Oc1ccccc1F ZINC001546001371 1066878341 /nfs/dbraw/zinc/87/83/41/1066878341.db2.gz MDQFOCOZUNYRNZ-OALUTQOASA-N 0 0 459.516 4.742 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492712679 1066878437 /nfs/dbraw/zinc/87/84/37/1066878437.db2.gz KPCAWHMKMHHTAL-PMACEKPBSA-N 0 0 452.578 4.771 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492712353 1066878563 /nfs/dbraw/zinc/87/85/63/1066878563.db2.gz AMSGTEBBRKFRGX-XMSQKQJNSA-N 0 0 487.073 4.990 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)n1 ZINC001457612362 1066878620 /nfs/dbraw/zinc/87/86/20/1066878620.db2.gz MJYJRNUSUGJUII-UHFFFAOYSA-N 0 0 458.971 4.916 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1nc(Cl)sc1Cl ZINC001447939889 1066878725 /nfs/dbraw/zinc/87/87/25/1066878725.db2.gz NYWGHYIZMYBBNS-UHFFFAOYSA-N 0 0 452.285 4.503 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001447939695 1066878774 /nfs/dbraw/zinc/87/87/74/1066878774.db2.gz MNRCCGQCUBGKKD-UHFFFAOYSA-N 0 0 455.480 4.607 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001492713344 1066878938 /nfs/dbraw/zinc/87/89/38/1066878938.db2.gz GORRHIIMBMEHSB-UHFFFAOYSA-N 0 0 454.365 4.624 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)nc1-c1ccc(Cl)cc1 ZINC001457614814 1066879128 /nfs/dbraw/zinc/87/91/28/1066879128.db2.gz MKFQCOVZMZRHCN-GFCCVEGCSA-N 0 0 454.987 4.998 20 0 JJADRN Cc1nccnc1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccs1 ZINC001492713476 1066879666 /nfs/dbraw/zinc/87/96/66/1066879666.db2.gz KXVUFPOYKRTKHR-OAHLLOKOSA-N 0 0 486.443 4.646 20 0 JJADRN Cc1sc([C@H](C)NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(Cl)cc1 ZINC001457615700 1066879865 /nfs/dbraw/zinc/87/98/65/1066879865.db2.gz OGOORQQXBGBWML-CUZBXDDWSA-N 0 0 450.969 4.659 20 0 JJADRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)(C)c1ccc(Br)cc1)CC3 ZINC001447947259 1066879933 /nfs/dbraw/zinc/87/99/33/1066879933.db2.gz RRYFMMGMECIDQW-UHFFFAOYSA-N 0 0 455.352 4.580 20 0 JJADRN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447945779 1066879963 /nfs/dbraw/zinc/87/99/63/1066879963.db2.gz MXZHKGNLBVPSCV-ZMYBRWDISA-N 0 0 455.179 4.902 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001447945558 1066880007 /nfs/dbraw/zinc/88/00/07/1066880007.db2.gz NYAAMWIGFGBVHW-OAHLLOKOSA-N 0 0 452.339 4.502 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)nc1-c1ccc(Cl)cc1 ZINC001457615745 1066880257 /nfs/dbraw/zinc/88/02/57/1066880257.db2.gz OGOORQQXBGBWML-ZJNQMXKESA-N 0 0 450.969 4.659 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCOCC3(CCCC3)C2)cc1OCC ZINC001447949682 1066880472 /nfs/dbraw/zinc/88/04/72/1066880472.db2.gz ZRMLEZFRDQDURF-UHFFFAOYSA-N 0 0 451.563 4.748 20 0 JJADRN CC(C)(C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447949582 1066880569 /nfs/dbraw/zinc/88/05/69/1066880569.db2.gz XWLCVYBRPPQPAC-FQEVSTJZSA-N 0 0 454.369 4.788 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001492714011 1066880783 /nfs/dbraw/zinc/88/07/83/1066880783.db2.gz AFGYAZNRNAYROG-NRFANRHFSA-N 0 0 485.430 4.586 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001457618419 1066880928 /nfs/dbraw/zinc/88/09/28/1066880928.db2.gz LJRBXNFDCLYCBN-MRXNPFEDSA-N 0 0 457.500 4.745 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001457618417 1066880943 /nfs/dbraw/zinc/88/09/43/1066880943.db2.gz LJRBXNFDCLYCBN-INIZCTEOSA-N 0 0 457.500 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC001447954392 1066881252 /nfs/dbraw/zinc/88/12/52/1066881252.db2.gz CREYSOYCDMTKJL-NHCUHLMSSA-N 0 0 454.567 4.597 20 0 JJADRN Cc1nccnc1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001492714869 1066881439 /nfs/dbraw/zinc/88/14/39/1066881439.db2.gz NEJFLEFIUMRASI-FQEVSTJZSA-N 0 0 460.504 4.516 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492714806 1066881490 /nfs/dbraw/zinc/88/14/90/1066881490.db2.gz RYWFHQMTJGFDGC-GOSISDBHSA-N 0 0 455.006 4.724 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)nc1-c1ccc(Cl)cc1 ZINC001457619453 1066881553 /nfs/dbraw/zinc/88/15/53/1066881553.db2.gz ZJNCZKUHEQUNRZ-LLVKDONJSA-N 0 0 452.960 4.806 20 0 JJADRN O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)c1cccc(C(F)(F)F)c1 ZINC001457618870 1066881703 /nfs/dbraw/zinc/88/17/03/1066881703.db2.gz ZXHLGWZSTGDPGZ-UHFFFAOYSA-N 0 0 457.193 4.952 20 0 JJADRN Cc1nccnc1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001492715103 1066881900 /nfs/dbraw/zinc/88/19/00/1066881900.db2.gz ZLCSGBXNXPIEFY-INIZCTEOSA-N 0 0 473.046 4.569 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001492715446 1066882011 /nfs/dbraw/zinc/88/20/11/1066882011.db2.gz YGYSBHUVAHMQLJ-OAQYLSRUSA-N 0 0 488.558 4.805 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)c(OC[C@@H]2CCOC2)c1 ZINC001457621724 1066882199 /nfs/dbraw/zinc/88/21/99/1066882199.db2.gz GSXQZJBVAQVOGS-QGZVFWFLSA-N 0 0 456.539 4.515 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001447957508 1066882137 /nfs/dbraw/zinc/88/21/37/1066882137.db2.gz GHSFVPWMXFHLLU-HNNXBMFYSA-N 0 0 451.995 4.796 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001447956147 1066882186 /nfs/dbraw/zinc/88/21/86/1066882186.db2.gz HQOKPDZGGLIXMA-SFTDATJTSA-N 0 0 451.567 4.529 20 0 JJADRN CC(C)C(CNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)C(C)C ZINC001447956690 1066882298 /nfs/dbraw/zinc/88/22/98/1066882298.db2.gz UAMTWLLBZQDMNX-HSZRJFAPSA-N 0 0 459.428 4.894 20 0 JJADRN Cc1ccc2c(CCNC(=O)Cc3ccc(Br)c(Br)c3)c[nH]c2c1 ZINC001447957744 1066882754 /nfs/dbraw/zinc/88/27/54/1066882754.db2.gz OITPWIKLABFEJM-UHFFFAOYSA-N 0 0 450.174 4.903 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001447958838 1066882834 /nfs/dbraw/zinc/88/28/34/1066882834.db2.gz JGUHHEKOIRUGEZ-JKSUJKDBSA-N 0 0 453.674 4.981 20 0 JJADRN Cc1ccc2c(CCNC(=O)c3ccccc3OCCN(C)C(=O)OC(C)(C)C)c[nH]c2c1 ZINC001447959486 1066882839 /nfs/dbraw/zinc/88/28/39/1066882839.db2.gz WCQAARJYQJLKAL-UHFFFAOYSA-N 0 0 451.567 4.695 20 0 JJADRN COCc1nc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)c(-c2ccccc2)s1 ZINC001457622389 1066883133 /nfs/dbraw/zinc/88/31/33/1066883133.db2.gz IPUYAHONBWUVME-SFHVURJKSA-N 0 0 452.576 4.610 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001457622127 1066883314 /nfs/dbraw/zinc/88/33/14/1066883314.db2.gz ILXHLFZALGGEIP-SNVBAGLBSA-N 0 0 454.246 4.937 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(C)c1OCc1cccnc1 ZINC001447959659 1066883180 /nfs/dbraw/zinc/88/31/80/1066883180.db2.gz QJLUQEXMDOMIFL-FCHUYYIVSA-N 0 0 453.583 4.843 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC001447962357 1066883914 /nfs/dbraw/zinc/88/39/14/1066883914.db2.gz YRAXGFJYLDBYBT-UHFFFAOYSA-N 0 0 455.845 4.954 20 0 JJADRN O=C(Cc1cccnc1Br)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001447962953 1066883986 /nfs/dbraw/zinc/88/39/86/1066883986.db2.gz KRWNMWXDRLRDRA-UHFFFAOYSA-N 0 0 457.290 4.723 20 0 JJADRN Cc1cc(Br)c2ccccc2c1NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001457625953 1066884393 /nfs/dbraw/zinc/88/43/93/1066884393.db2.gz KHWQIJOOINRKKX-ZDUSSCGKSA-N 0 0 450.329 4.851 20 0 JJADRN O=C(c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)N1C[C@H](O)CC(F)(F)C1 ZINC001447965418 1066884338 /nfs/dbraw/zinc/88/43/38/1066884338.db2.gz QONOYUYHSLLJND-CQSZACIVSA-N 0 0 458.317 4.750 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)(C)C1CC1 ZINC001492717489 1066884945 /nfs/dbraw/zinc/88/49/45/1066884945.db2.gz SDPQRIZWMFIRBI-UHFFFAOYSA-N 0 0 474.451 4.849 20 0 JJADRN CCOC(=O)C1(N(C)C(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CCCCC1 ZINC001457627329 1066885007 /nfs/dbraw/zinc/88/50/07/1066885007.db2.gz PKQUSKUSDDWRNK-QHCPKHFHSA-N 0 0 450.579 4.581 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3OC[C@@H]3CCOC3)cs2)cc1 ZINC001457626344 1066885030 /nfs/dbraw/zinc/88/50/30/1066885030.db2.gz QWRHGNBAMOZOHJ-HXUWFJFHSA-N 0 0 450.604 4.955 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492717802 1066885300 /nfs/dbraw/zinc/88/53/00/1066885300.db2.gz WMRJAGKSXVSGKN-YWZLYKJASA-N 0 0 495.603 4.952 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001492717808 1066885337 /nfs/dbraw/zinc/88/53/37/1066885337.db2.gz WRARSHSPKJHCGO-LADGPHEKSA-N 0 0 494.684 4.908 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001492717807 1066885498 /nfs/dbraw/zinc/88/54/98/1066885498.db2.gz WRARSHSPKJHCGO-ISKFKSNPSA-N 0 0 494.684 4.908 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@H](Oc3cccc(Cl)c3Cl)c3ccccc3)CC2)n[nH]1 ZINC001447971097 1066885638 /nfs/dbraw/zinc/88/56/38/1066885638.db2.gz XSMQCJCLGIEHSW-JOCHJYFZSA-N 0 0 459.377 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@@H]1C ZINC001492717977 1066886014 /nfs/dbraw/zinc/88/60/14/1066886014.db2.gz YVNQCXGGFFMPFY-PGRDOPGGSA-N 0 0 464.658 4.902 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCSC1)Oc1ccccc1F ZINC001546001700 1066886384 /nfs/dbraw/zinc/88/63/84/1066886384.db2.gz RVBNQDJRGVRKEP-ROUUACIJSA-N 0 0 461.632 4.572 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)(C)C ZINC001492717749 1066886692 /nfs/dbraw/zinc/88/66/92/1066886692.db2.gz VJMYXOKGMHLKHK-UHFFFAOYSA-N 0 0 493.425 4.649 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492718434 1066887322 /nfs/dbraw/zinc/88/73/22/1066887322.db2.gz FYWJORWNZVJKGK-UHFFFAOYSA-N 0 0 469.684 4.719 20 0 JJADRN O=C(C1=Cc2ccccc2OC1)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447981334 1066887424 /nfs/dbraw/zinc/88/74/24/1066887424.db2.gz IOUSGWJJTQEECA-QHCPKHFHSA-N 0 0 451.469 4.826 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001492718731 1066887830 /nfs/dbraw/zinc/88/78/30/1066887830.db2.gz QDJXAWWPYWOZGX-BVAGGSTKSA-N 0 0 464.658 4.501 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001492718888 1066887841 /nfs/dbraw/zinc/88/78/41/1066887841.db2.gz VTHPTKVPLMQEFW-UHFFFAOYSA-N 0 0 487.652 4.614 20 0 JJADRN Cc1cn2ccc(C(=O)N(Cc3ccccc3)C[C@@H](O)c3cccc(OC(F)F)c3)cc2n1 ZINC001447984699 1066888010 /nfs/dbraw/zinc/88/80/10/1066888010.db2.gz RLBJGTJEQMBBJD-JOCHJYFZSA-N 0 0 451.473 4.620 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CC2)n1Cc1c(C)sc(C)c1Br ZINC001492718840 1066888043 /nfs/dbraw/zinc/88/80/43/1066888043.db2.gz ULOKFRPYTCDFJP-UHFFFAOYSA-N 0 0 477.476 4.706 20 0 JJADRN O=C(c1ccc(Cl)nc1F)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447982525 1066888083 /nfs/dbraw/zinc/88/80/83/1066888083.db2.gz LHMOFTKRZTXZJD-SFHVURJKSA-N 0 0 450.844 4.852 20 0 JJADRN Cc1ccn2ncc(C(=O)N(Cc3ccccc3)C[C@H](O)c3cccc(OC(F)F)c3)c2c1 ZINC001447981433 1066888116 /nfs/dbraw/zinc/88/81/16/1066888116.db2.gz JTCZAWITKBAQFP-QHCPKHFHSA-N 0 0 451.473 4.620 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(F)(F)F ZINC001492719145 1066888317 /nfs/dbraw/zinc/88/83/17/1066888317.db2.gz DDPCHPFLPOYWQT-UHFFFAOYSA-N 0 0 470.490 4.722 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492719152 1066888381 /nfs/dbraw/zinc/88/83/81/1066888381.db2.gz DIBXBSABTOACNC-VGSWGCGISA-N 0 0 485.677 4.568 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492719265 1066888389 /nfs/dbraw/zinc/88/83/89/1066888389.db2.gz GJPVVVYWRIQOEZ-UHFFFAOYSA-N 0 0 490.578 4.838 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC001447986203 1066888584 /nfs/dbraw/zinc/88/85/84/1066888584.db2.gz IJDLLNVOXDUSJI-IHPCNDPISA-N 0 0 456.633 4.857 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001546002017 1066888710 /nfs/dbraw/zinc/88/87/10/1066888710.db2.gz YFEWQLCLWSVAPU-NLFFAJNJSA-N 0 0 487.570 4.987 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001492719648 1066888834 /nfs/dbraw/zinc/88/88/34/1066888834.db2.gz RJRCFGUXKFGACS-QFBILLFUSA-N 0 0 450.631 4.786 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001492719459 1066888952 /nfs/dbraw/zinc/88/89/52/1066888952.db2.gz MOQLKNPUJSPJIJ-JOCHJYFZSA-N 0 0 472.081 4.810 20 0 JJADRN CC(C)(O)c1ccc(CNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001448003282 1066889288 /nfs/dbraw/zinc/88/92/88/1066889288.db2.gz DPDUBHSTJGXYEI-UHFFFAOYSA-N 0 0 459.586 4.858 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CCC(C)CC1 ZINC001492720243 1066889346 /nfs/dbraw/zinc/88/93/46/1066889346.db2.gz JJVQGYOQBHPTDU-NQKNOSNGSA-N 0 0 454.594 4.971 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 ZINC001457641018 1066889577 /nfs/dbraw/zinc/88/95/77/1066889577.db2.gz YIRDDQSWZQZJGB-NRFANRHFSA-N 0 0 456.587 4.705 20 0 JJADRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001457640798 1066889640 /nfs/dbraw/zinc/88/96/40/1066889640.db2.gz UMXBDVDCMDMUSM-UNMCSNQZSA-N 0 0 456.876 4.660 20 0 JJADRN CO[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC001457640579 1066889695 /nfs/dbraw/zinc/88/96/95/1066889695.db2.gz BVAFGRVGGRQOPP-MOPGFXCFSA-N 0 0 455.769 4.755 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492720406 1066890017 /nfs/dbraw/zinc/89/00/17/1066890017.db2.gz OAQQTCZUKQPQFL-APWZRJJASA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nccs1 ZINC001492720615 1066890545 /nfs/dbraw/zinc/89/05/45/1066890545.db2.gz UYFYQPOPHASRRO-UHFFFAOYSA-N 0 0 492.436 4.655 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001492720794 1066890868 /nfs/dbraw/zinc/89/08/68/1066890868.db2.gz AZEQBZYFCSGKIX-HNNXBMFYSA-N 0 0 468.403 4.632 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCOC1 ZINC001492720731 1066890996 /nfs/dbraw/zinc/89/09/96/1066890996.db2.gz ZGPIHGQDNMQWSK-GOSISDBHSA-N 0 0 475.062 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)NC3(Cc4cccc(F)c4)CCC3)on2)CC1 ZINC001448021426 1066890938 /nfs/dbraw/zinc/89/09/38/1066890938.db2.gz BZNXKVOUKAGMSV-UHFFFAOYSA-N 0 0 457.546 4.823 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cscn1 ZINC001492720922 1066891382 /nfs/dbraw/zinc/89/13/82/1066891382.db2.gz FYSJAURPLGCBKI-UHFFFAOYSA-N 0 0 462.410 4.743 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492720905 1066891437 /nfs/dbraw/zinc/89/14/37/1066891437.db2.gz FJQXFPQULVKKKM-LSDHHAIUSA-N 0 0 457.420 4.731 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C12CCC2 ZINC001457660246 1066892179 /nfs/dbraw/zinc/89/21/79/1066892179.db2.gz YFLLFJDLOQQBGY-LSTHTHJFSA-N 0 0 453.410 4.652 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001492721087 1066892060 /nfs/dbraw/zinc/89/20/60/1066892060.db2.gz LLZKWHLEFSGOKC-KGLIPLIRSA-N 0 0 475.410 4.728 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492721144 1066892253 /nfs/dbraw/zinc/89/22/53/1066892253.db2.gz NEULYWWCRGDNMN-UHFFFAOYSA-N 0 0 470.902 4.915 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)CC1 ZINC001457662828 1066892606 /nfs/dbraw/zinc/89/26/06/1066892606.db2.gz MNBDDVFGLDGGSE-RUZDIDTESA-N 0 0 455.643 4.703 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1cccnc1I ZINC001457662265 1066892746 /nfs/dbraw/zinc/89/27/46/1066892746.db2.gz UZLFYAKBCCRWCJ-OAHLLOKOSA-N 0 0 458.727 4.865 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492721322 1066892704 /nfs/dbraw/zinc/89/27/04/1066892704.db2.gz USOVJBOEORWEHD-UONOGXRCSA-N 0 0 475.410 4.870 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492721437 1066892811 /nfs/dbraw/zinc/89/28/11/1066892811.db2.gz YQARNCCIJKRLOT-MRXNPFEDSA-N 0 0 452.912 4.776 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC001457662558 1066892816 /nfs/dbraw/zinc/89/28/16/1066892816.db2.gz LSZBPWZJZNDBKD-OAQYLSRUSA-N 0 0 459.514 4.850 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492722225 1066893227 /nfs/dbraw/zinc/89/32/27/1066893227.db2.gz VZLKSFOKKOIAGQ-LEWJYISDSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492721489 1066893343 /nfs/dbraw/zinc/89/33/43/1066893343.db2.gz AFRHXWHVWCMJJD-VXKWHMMOSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C ZINC001492722845 1066893884 /nfs/dbraw/zinc/89/38/84/1066893884.db2.gz RHCOIUAJAWSRGQ-JOCHJYFZSA-N 0 0 471.049 4.578 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)Nc1ccc(Cl)cc1Br ZINC001457665690 1066893917 /nfs/dbraw/zinc/89/39/17/1066893917.db2.gz ZJAONSDVEJPJAA-NSHDSACASA-N 0 0 458.537 4.930 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)nnc1C(C)(C)C ZINC001492723362 1066894330 /nfs/dbraw/zinc/89/43/30/1066894330.db2.gz LDUNKYJIYYRJHI-GOSISDBHSA-N 0 0 455.676 4.938 20 0 JJADRN Cc1nc(SCC(=O)Nc2nc3cc(Br)ccc3[nH]2)[nH]c1Cc1ccccc1 ZINC001457671632 1066894953 /nfs/dbraw/zinc/89/49/53/1066894953.db2.gz FBDMGEXUGBCNGP-UHFFFAOYSA-N 0 0 456.369 4.679 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671052 1066895006 /nfs/dbraw/zinc/89/50/06/1066895006.db2.gz YQUXNAVWMLXTFX-CYBMUJFWSA-N 0 0 457.353 4.901 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001457672611 1066895343 /nfs/dbraw/zinc/89/53/43/1066895343.db2.gz LSDSLWPTSXQTSY-VBKZILBWSA-N 0 0 455.357 4.861 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)Cc2ccoc2C)n(C)n1 ZINC001492724384 1066895403 /nfs/dbraw/zinc/89/54/03/1066895403.db2.gz BMWBDOJUVVFCRR-UHFFFAOYSA-N 0 0 462.598 4.998 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC=C(Br)C2)n(C)n1 ZINC001492724835 1066895416 /nfs/dbraw/zinc/89/54/16/1066895416.db2.gz JJRCFNGHDWTEAT-UHFFFAOYSA-N 0 0 469.431 4.822 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1 ZINC001457676579 1066895522 /nfs/dbraw/zinc/89/55/22/1066895522.db2.gz RQNXIQPNDIZZOX-UHFFFAOYSA-N 0 0 450.438 4.684 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)NC[C@@]1(C)CCCO1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001457673666 1066895541 /nfs/dbraw/zinc/89/55/41/1066895541.db2.gz DIZINXYLLTYQJN-RUZDIDTESA-N 0 0 454.954 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2ccccc2COc2cccc(C=O)c2)CC1 ZINC001448068685 1066895700 /nfs/dbraw/zinc/89/57/00/1066895700.db2.gz RWDIKVLKVFGOSC-UHFFFAOYSA-N 0 0 452.551 4.598 20 0 JJADRN O=C(NCc1cnn(CC(F)(F)F)c1)c1ccccc1Oc1cccc(Br)c1 ZINC001457681031 1066895952 /nfs/dbraw/zinc/89/59/52/1066895952.db2.gz DREUXXSIKLVINK-UHFFFAOYSA-N 0 0 454.246 4.930 20 0 JJADRN CC(C)n1cnnc1SCC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001448068958 1066896348 /nfs/dbraw/zinc/89/63/48/1066896348.db2.gz OHAKRDKXHHUDSU-CYBMUJFWSA-N 0 0 451.312 4.524 20 0 JJADRN CCc1[nH]nc(NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)c1Br ZINC001457682234 1066896583 /nfs/dbraw/zinc/89/65/83/1066896583.db2.gz QUFYLJQZXIELKE-UHFFFAOYSA-N 0 0 453.344 4.552 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2C[C@H](C)CC[C@@H]2C)n(C)n1 ZINC001492725759 1066896361 /nfs/dbraw/zinc/89/63/61/1066896361.db2.gz SEZWNHOBZMXCPP-XLIONFOSSA-N 0 0 471.049 4.967 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCCC(C)(C)C2)n(C)n1 ZINC001492725490 1066896493 /nfs/dbraw/zinc/89/64/93/1066896493.db2.gz ISKOKINSXDLHMG-UHFFFAOYSA-N 0 0 471.049 4.968 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2cc(F)ccc2F)n(C)n1 ZINC001492727109 1066896609 /nfs/dbraw/zinc/89/66/09/1066896609.db2.gz HYZVNGWAPTYXBT-ZWDAVXSWSA-N 0 0 472.584 4.763 20 0 JJADRN Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 ZINC001448073565 1066897097 /nfs/dbraw/zinc/89/70/97/1066897097.db2.gz VQEADRKBIHHIMC-QGZVFWFLSA-N 0 0 457.290 4.606 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1ccnn1CC1CC1)Nc1cccc(C(F)(F)F)c1 ZINC001457685732 1066897144 /nfs/dbraw/zinc/89/71/44/1066897144.db2.gz JMTOUBPVQYGBKF-UHFFFAOYSA-N 0 0 458.440 4.582 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)c3ccc(CSc4nc(C)cs4)cc3)ccc21 ZINC001448073730 1066897496 /nfs/dbraw/zinc/89/74/96/1066897496.db2.gz DNDBSOVGLXPAGM-UHFFFAOYSA-N 0 0 453.589 4.532 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001448074992 1066897707 /nfs/dbraw/zinc/89/77/07/1066897707.db2.gz JRLPYOJZFMUFHQ-KRWDZBQOSA-N 0 0 451.445 4.960 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3Cc3cccc(COC(C)(C)C)c3)C2)n1 ZINC001492728525 1066898086 /nfs/dbraw/zinc/89/80/86/1066898086.db2.gz FZZDJSBCOZSUBH-QHCPKHFHSA-N 0 0 465.646 4.815 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492728376 1066898121 /nfs/dbraw/zinc/89/81/21/1066898121.db2.gz BRJYLPGEPMYCRI-QHCPKHFHSA-N 0 0 464.658 4.969 20 0 JJADRN CCCN(C(=O)c1c[nH]c2ccc(Br)cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001457689818 1066898392 /nfs/dbraw/zinc/89/83/92/1066898392.db2.gz PTRMNFPZUIDQCT-OAHLLOKOSA-N 0 0 450.377 4.792 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2cnn(CC(F)(F)F)c2)c1 ZINC001457695250 1066899030 /nfs/dbraw/zinc/89/90/30/1066899030.db2.gz VTJZKEMXZDKIDN-UHFFFAOYSA-N 0 0 457.431 4.676 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492729509 1066899338 /nfs/dbraw/zinc/89/93/38/1066899338.db2.gz DRXSYJZRNRVLQB-BWKNWUBXSA-N 0 0 486.064 4.836 20 0 JJADRN Nc1c(I)cccc1C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001448096748 1066899395 /nfs/dbraw/zinc/89/93/95/1066899395.db2.gz PQSCRPBWWXSYQP-HXUWFJFHSA-N 0 0 454.311 4.958 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[C@H]2C[C@H]21 ZINC001448098119 1066899420 /nfs/dbraw/zinc/89/94/20/1066899420.db2.gz SOQIUJHORXZGLW-QXCZDIPSSA-N 0 0 464.990 4.776 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001448095245 1066899437 /nfs/dbraw/zinc/89/94/37/1066899437.db2.gz LGTLOMRUJISVBQ-OAQYLSRUSA-N 0 0 458.986 4.696 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cn1)c1ccccc1 ZINC001448097886 1066899505 /nfs/dbraw/zinc/89/95/05/1066899505.db2.gz HSYXSMCTOOGVTM-KRWDZBQOSA-N 0 0 456.468 4.598 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492729808 1066899850 /nfs/dbraw/zinc/89/98/50/1066899850.db2.gz KOZSNXPOXFJCEW-LPHOPBHVSA-N 0 0 477.535 4.647 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCOCC(C)C)C2)n1 ZINC001492729733 1066899877 /nfs/dbraw/zinc/89/98/77/1066899877.db2.gz JDRYIVKINGSZKF-HSZRJFAPSA-N 0 0 450.631 4.971 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)nc2c1 ZINC001448106248 1066899943 /nfs/dbraw/zinc/89/99/43/1066899943.db2.gz RHTVSPAPDKMAJL-HNNXBMFYSA-N 0 0 451.958 4.756 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)Nc1cc(-c2ccc(Br)o2)no1 ZINC001457701964 1066899936 /nfs/dbraw/zinc/89/99/36/1066899936.db2.gz IJBGYZSTZBDLEJ-UHFFFAOYSA-N 0 0 450.236 4.830 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3Br)c2C(N)=O)C1 ZINC001457701749 1066899970 /nfs/dbraw/zinc/89/99/70/1066899970.db2.gz ZPQWFMPQEJTKCG-UHFFFAOYSA-N 0 0 455.805 4.959 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)n1 ZINC001492730218 1066900378 /nfs/dbraw/zinc/90/03/78/1066900378.db2.gz RGBJLCHKFIRVFB-SFHVURJKSA-N 0 0 472.435 4.804 20 0 JJADRN O=C(c1cc(Br)cnc1Cl)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001457704786 1066900447 /nfs/dbraw/zinc/90/04/47/1066900447.db2.gz CJXAIAOGRMSZHY-KRWDZBQOSA-N 0 0 451.773 4.935 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(Br)cc2[nH]cnc21 ZINC001448108889 1066900488 /nfs/dbraw/zinc/90/04/88/1066900488.db2.gz IBSKQXKZSGYHNQ-LLVKDONJSA-N 0 0 450.720 4.646 20 0 JJADRN COc1cc(C(=O)Nc2c(SC)cnn2-c2ccccc2)ccc1OCc1cscn1 ZINC001457707266 1066900755 /nfs/dbraw/zinc/90/07/55/1066900755.db2.gz UITRHOQKFKXDJX-UHFFFAOYSA-N 0 0 452.561 4.891 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCC(C)(C)C)C2)n1 ZINC001492730879 1066901148 /nfs/dbraw/zinc/90/11/48/1066901148.db2.gz GBEQSURGLNAKLU-HXUWFJFHSA-N 0 0 469.609 4.872 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC001457709285 1066901340 /nfs/dbraw/zinc/90/13/40/1066901340.db2.gz IRHLUMFHSQWIQM-MRXNPFEDSA-N 0 0 450.340 4.620 20 0 JJADRN CC[C@]1(CO)CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001448118211 1066901538 /nfs/dbraw/zinc/90/15/38/1066901538.db2.gz YBGBDUPLROPVGD-UNMCSNQZSA-N 0 0 450.348 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2cc3c(cc2F)NC(=O)CC3)c2ccccc21 ZINC001448117078 1066901562 /nfs/dbraw/zinc/90/15/62/1066901562.db2.gz NZBKQTJDNLEYHV-OAHLLOKOSA-N 0 0 453.514 4.968 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccsc3Br)C2)n1 ZINC001492730993 1066901445 /nfs/dbraw/zinc/90/14/45/1066901445.db2.gz JAKCHOCFVRUHKM-QGZVFWFLSA-N 0 0 492.491 4.789 20 0 JJADRN COCc1c(Cl)cccc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC001457710737 1066901683 /nfs/dbraw/zinc/90/16/83/1066901683.db2.gz IVYHYILIBNDIPE-UHFFFAOYSA-N 0 0 451.832 4.612 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC001457709906 1066901732 /nfs/dbraw/zinc/90/17/32/1066901732.db2.gz SRTCXVMRZSQWCD-SYJJWHGVSA-N 0 0 452.389 4.675 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1ccn(C2CCCC2)n1 ZINC001457710719 1066901771 /nfs/dbraw/zinc/90/17/71/1066901771.db2.gz IAGYQFUSMFNAPF-UHFFFAOYSA-N 0 0 451.415 4.805 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C1([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC1)CC2 ZINC001448119428 1066901954 /nfs/dbraw/zinc/90/19/54/1066901954.db2.gz JROANCMICSURFX-AJTFRIOCSA-N 0 0 456.627 4.846 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCSC1)NC(=O)OC(C)(C)C ZINC001546002921 1066902308 /nfs/dbraw/zinc/90/23/08/1066902308.db2.gz AAEIFBVYXGWDOA-OALUTQOASA-N 0 0 484.670 4.595 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC001492731304 1066902359 /nfs/dbraw/zinc/90/23/59/1066902359.db2.gz QNMGYKGMLZXHJC-FQEVSTJZSA-N 0 0 461.536 4.594 20 0 JJADRN CS(=O)(=O)Cc1ccc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F ZINC001457712986 1066902550 /nfs/dbraw/zinc/90/25/50/1066902550.db2.gz UUJRKPLVHSBEJM-UHFFFAOYSA-N 0 0 458.458 4.765 20 0 JJADRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ncc(Br)cc1Br ZINC001457714231 1066902912 /nfs/dbraw/zinc/90/29/12/1066902912.db2.gz TZAWTHROAFTMLX-VIFPVBQESA-N 0 0 455.175 4.577 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001457715072 1066903004 /nfs/dbraw/zinc/90/30/04/1066903004.db2.gz QYYIFCHANDJGTN-HNNXBMFYSA-N 0 0 454.395 4.701 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1)C(F)(F)F ZINC001457714973 1066903012 /nfs/dbraw/zinc/90/30/12/1066903012.db2.gz CQSYHYDUTCWJSZ-AOMKIAJQSA-N 0 0 450.505 4.523 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3C)C2)n1 ZINC001492731830 1066903197 /nfs/dbraw/zinc/90/31/97/1066903197.db2.gz YAHCRBXYEYMIAA-JOCHJYFZSA-N 0 0 453.610 4.607 20 0 JJADRN COCCN(Cc1ccc(C)o1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001457716049 1066903270 /nfs/dbraw/zinc/90/32/70/1066903270.db2.gz MOALZGLPQRHXHX-UHFFFAOYSA-N 0 0 459.546 4.667 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546002970 1066903481 /nfs/dbraw/zinc/90/34/81/1066903481.db2.gz BBINHJUSAPUBIR-JXFKEZNVSA-N 0 0 473.618 4.634 20 0 JJADRN O=C(Nc1cc(CSCCO)ccn1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001457717336 1066903851 /nfs/dbraw/zinc/90/38/51/1066903851.db2.gz XWDFBOTUMKADOL-UHFFFAOYSA-N 0 0 456.999 4.667 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@H]2CCC[C@@H]2C)n1 ZINC001492732126 1066904197 /nfs/dbraw/zinc/90/41/97/1066904197.db2.gz JMPJGBHCSVVPIN-ZVOSROTPSA-N 0 0 468.671 4.511 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC001457721514 1066904196 /nfs/dbraw/zinc/90/41/96/1066904196.db2.gz CZDSPOBWCMNEQG-MRFFXTKBSA-N 0 0 455.357 4.515 20 0 JJADRN COC(=O)c1cccc(CNC(=O)c2ccccc2OCc2ccccc2Br)c1 ZINC001457718503 1066904252 /nfs/dbraw/zinc/90/42/52/1066904252.db2.gz AEEUOABWYNUDKD-UHFFFAOYSA-N 0 0 454.320 4.745 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC001457721523 1066904370 /nfs/dbraw/zinc/90/43/70/1066904370.db2.gz CZDSPOBWCMNEQG-QTJFZDIUSA-N 0 0 455.357 4.515 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)c2cccs2)CC1)NC(=O)OC(C)(C)C ZINC001546003083 1066904461 /nfs/dbraw/zinc/90/44/61/1066904461.db2.gz CORNCNYFWFEFDW-LJQANCHMSA-N 0 0 487.670 4.695 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2C[C@H](C)c2nccs2)n1 ZINC001492732262 1066904683 /nfs/dbraw/zinc/90/46/83/1066904683.db2.gz MEVXJEWZYZHRFY-YOEHRIQHSA-N 0 0 471.581 4.876 20 0 JJADRN COc1ccccc1[C@H](NC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)c1ccco1 ZINC001457724246 1066904842 /nfs/dbraw/zinc/90/48/42/1066904842.db2.gz YEGRZIZQEIXIPH-QFIPXVFZSA-N 0 0 452.507 4.532 20 0 JJADRN Cn1c(=O)[nH]c2ccc(C(=O)NCCCCCCc3nc(-c4ccc(Cl)cc4)no3)cc21 ZINC001448156345 1066904882 /nfs/dbraw/zinc/90/48/82/1066904882.db2.gz FQERYOQXDYKLLL-UHFFFAOYSA-N 0 0 453.930 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001448157715 1066905216 /nfs/dbraw/zinc/90/52/16/1066905216.db2.gz NIMQVLCJSYIVEQ-KRWDZBQOSA-N 0 0 458.496 4.638 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)[C@@H]1Oc1ccccc1 ZINC001448157597 1066905304 /nfs/dbraw/zinc/90/53/04/1066905304.db2.gz HTEBOFCVVHAYSD-ZVDOUQERSA-N 0 0 459.468 4.759 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2Cc2ccc([C@@H](C)O)cc2)n1 ZINC001492732628 1066905612 /nfs/dbraw/zinc/90/56/12/1066905612.db2.gz SFENQAVFOQTLPU-RTBURBONSA-N 0 0 450.612 4.500 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCCOC2CCCC2)n1 ZINC001492732693 1066905700 /nfs/dbraw/zinc/90/57/00/1066905700.db2.gz TZWGLOBPXQFNTI-FQEVSTJZSA-N 0 0 454.594 4.826 20 0 JJADRN CC(C)(C(=O)N1CCC(Oc2cncc(Cl)n2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448165715 1066905803 /nfs/dbraw/zinc/90/58/03/1066905803.db2.gz UVCRFOPTQHRSFC-GOSISDBHSA-N 0 0 458.773 4.566 20 0 JJADRN O=C(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001448165685 1066905827 /nfs/dbraw/zinc/90/58/27/1066905827.db2.gz USRYPSSRENPZCK-IVHGUIJPSA-N 0 0 453.970 4.702 20 0 JJADRN C[C@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001448167714 1066906112 /nfs/dbraw/zinc/90/61/12/1066906112.db2.gz ZQELSFUISPWSFH-CQSZACIVSA-N 0 0 451.386 4.558 20 0 JJADRN O=C(c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001448167700 1066906258 /nfs/dbraw/zinc/90/62/58/1066906258.db2.gz ZNHINRGZAABPRE-UHFFFAOYSA-N 0 0 453.411 4.677 20 0 JJADRN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C ZINC001448171862 1066906667 /nfs/dbraw/zinc/90/66/67/1066906667.db2.gz ITOMTSFLOMNLNH-OAHLLOKOSA-N 0 0 453.539 4.667 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@H]1Oc1ccccc1 ZINC001448169185 1066906713 /nfs/dbraw/zinc/90/67/13/1066906713.db2.gz YHSUIQIWSOSUDC-WMTXJRDZSA-N 0 0 453.970 4.556 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457734104 1066906718 /nfs/dbraw/zinc/90/67/18/1066906718.db2.gz GUMNBUFHAXWNCC-UHFFFAOYSA-N 0 0 455.967 4.968 20 0 JJADRN COCc1nc2sc(C(=O)NCC(C)(C)c3cccc(Cl)c3F)c(C)c2c(OC)n1 ZINC001448170146 1066906742 /nfs/dbraw/zinc/90/67/42/1066906742.db2.gz YOHLBKOWAVWRKX-UHFFFAOYSA-N 0 0 451.951 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC(C)(C)C)n1 ZINC001492733310 1066906929 /nfs/dbraw/zinc/90/69/29/1066906929.db2.gz HJXLZQJHNJFGHT-UHFFFAOYSA-N 0 0 487.693 4.802 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N(Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001546003239 1066907100 /nfs/dbraw/zinc/90/71/00/1066907100.db2.gz GFJROVBUKLLANI-QGZVFWFLSA-N 0 0 475.584 4.981 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)ccc1NC(=O)c1cccs1 ZINC001448187705 1066907990 /nfs/dbraw/zinc/90/79/90/1066907990.db2.gz IUKBWCZFTFYZDT-GOSISDBHSA-N 0 0 459.365 4.535 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001448186558 1066908015 /nfs/dbraw/zinc/90/80/15/1066908015.db2.gz OCFSYMAEUPUFTQ-WOJBJXKFSA-N 0 0 453.633 4.881 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001448186553 1066908049 /nfs/dbraw/zinc/90/80/49/1066908049.db2.gz OCFSYMAEUPUFTQ-UXHICEINSA-N 0 0 453.633 4.881 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457739765 1066908161 /nfs/dbraw/zinc/90/81/61/1066908161.db2.gz IXCFOOXNDWNRAM-SFHVURJKSA-N 0 0 454.542 4.841 20 0 JJADRN C[S@](=O)c1cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001457739482 1066908233 /nfs/dbraw/zinc/90/82/33/1066908233.db2.gz XQCBOGHWXJWZRO-KCEHZKJRSA-N 0 0 452.576 4.573 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001546003372 1066908400 /nfs/dbraw/zinc/90/84/00/1066908400.db2.gz IJSYGSKKTCYJNC-FQEVSTJZSA-N 0 0 487.620 4.721 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001546003385 1066908461 /nfs/dbraw/zinc/90/84/61/1066908461.db2.gz INLHKUBSOBSXBZ-HXUWFJFHSA-N 0 0 464.614 4.810 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2Cc2cscc2C)n1 ZINC001492735088 1066908566 /nfs/dbraw/zinc/90/85/66/1066908566.db2.gz JWZUJDQFOUKRRS-UHFFFAOYSA-N 0 0 458.994 4.987 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc4ccccc4o3)n2CCSC(F)(F)F)n1 ZINC001492735037 1066908600 /nfs/dbraw/zinc/90/86/00/1066908600.db2.gz IDXPCQPCYQPPJS-UHFFFAOYSA-N 0 0 464.517 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2ccccc2Cl)n1 ZINC001492735126 1066908643 /nfs/dbraw/zinc/90/86/43/1066908643.db2.gz LHUINTVZWDWAIP-UHFFFAOYSA-N 0 0 470.408 4.721 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003450 1066908827 /nfs/dbraw/zinc/90/88/27/1066908827.db2.gz JQVFULAIOHMLGN-SIKLNZKXSA-N 0 0 496.656 4.515 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)[C@@H]2CSC(c3ccccc3O)=N2)CC1 ZINC001448195870 1066908851 /nfs/dbraw/zinc/90/88/51/1066908851.db2.gz LRDJYPGWZHGZAZ-SFHVURJKSA-N 0 0 459.409 4.597 20 0 JJADRN O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001448195834 1066908908 /nfs/dbraw/zinc/90/89/08/1066908908.db2.gz AYONBZZJQBPZNX-UHFFFAOYSA-N 0 0 453.951 4.595 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003448 1066908979 /nfs/dbraw/zinc/90/89/79/1066908979.db2.gz JQVFULAIOHMLGN-DENIHFKCSA-N 0 0 496.656 4.515 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc4cnccc4c3)n2CCSCC(F)(F)F)n1 ZINC001492735546 1066909132 /nfs/dbraw/zinc/90/91/32/1066909132.db2.gz AIKZMGOYRHVDPE-UHFFFAOYSA-N 0 0 489.571 4.620 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001546003480 1066909277 /nfs/dbraw/zinc/90/92/77/1066909277.db2.gz KGOAWKVLACMEIL-SIKLNZKXSA-N 0 0 487.645 4.883 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NCCc1ccc2[nH]ccc2c1)NC(=O)OC(C)(C)C ZINC001448199433 1066909292 /nfs/dbraw/zinc/90/92/92/1066909292.db2.gz KLIPFZJLOQLTPU-JOCHJYFZSA-N 0 0 451.567 4.881 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC001457745281 1066909370 /nfs/dbraw/zinc/90/93/70/1066909370.db2.gz WMLLSWWNAXFYHR-QHCPKHFHSA-N 0 0 458.558 4.826 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001546003481 1066909404 /nfs/dbraw/zinc/90/94/04/1066909404.db2.gz KGOAWKVLACMEIL-UGKGYDQZSA-N 0 0 487.645 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3csc(-c4ccncc4)n3)cccc2C1 ZINC001457744727 1066909488 /nfs/dbraw/zinc/90/94/88/1066909488.db2.gz RMTFJTWLMMUCDO-UHFFFAOYSA-N 0 0 450.564 4.680 20 0 JJADRN O=C(NCCc1ccc2[nH]ccc2c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001448204431 1066909856 /nfs/dbraw/zinc/90/98/56/1066909856.db2.gz WIXBGIOUHFHADU-UHFFFAOYSA-N 0 0 450.276 4.663 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492735938 1066909880 /nfs/dbraw/zinc/90/98/80/1066909880.db2.gz OPMMESOJTFWQFU-UZLBHIALSA-N 0 0 471.447 4.975 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1ccccc1F ZINC001546003696 1066910246 /nfs/dbraw/zinc/91/02/46/1066910246.db2.gz OMDXDUMHCHTJIR-SIKLNZKXSA-N 0 0 487.645 4.882 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1ccccc1F ZINC001546003694 1066910321 /nfs/dbraw/zinc/91/03/21/1066910321.db2.gz OMDXDUMHCHTJIR-DENIHFKCSA-N 0 0 487.645 4.882 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2CCc2cccc(F)c2F)n1 ZINC001492736218 1066910736 /nfs/dbraw/zinc/91/07/36/1066910736.db2.gz YEWSEZSTWZIEHI-UHFFFAOYSA-N 0 0 456.566 4.667 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCc2cc(C(F)(F)F)ccn2)n1 ZINC001492736181 1066910817 /nfs/dbraw/zinc/91/08/17/1066910817.db2.gz XIIPSOKMAIIEIT-UHFFFAOYSA-N 0 0 487.505 4.572 20 0 JJADRN CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 ZINC001448225594 1066910872 /nfs/dbraw/zinc/91/08/72/1066910872.db2.gz MDELQZYKBNBTQY-DEOSSOPVSA-N 0 0 456.030 4.918 20 0 JJADRN COc1cccc(CN(C)C(=O)Cc2ccc(-n3ccnc3)cc2)c1OCc1ccccc1F ZINC001448225497 1066910931 /nfs/dbraw/zinc/91/09/31/1066910931.db2.gz GBDJRNQXECUFSL-UHFFFAOYSA-N 0 0 459.521 4.800 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492736294 1066911230 /nfs/dbraw/zinc/91/12/30/1066911230.db2.gz BIYAORIFTIGDDL-SIKLNZKXSA-N 0 0 456.660 4.679 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2Cc2c(C)coc2C)n1 ZINC001492736701 1066911529 /nfs/dbraw/zinc/91/15/29/1066911529.db2.gz PUNBEEXPQLQQBR-UHFFFAOYSA-N 0 0 470.524 4.636 20 0 JJADRN CCC1(CC)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2O1 ZINC001457752617 1066911628 /nfs/dbraw/zinc/91/16/28/1066911628.db2.gz OGFKYXJBLOAZBG-UHFFFAOYSA-N 0 0 458.580 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001457753078 1066911921 /nfs/dbraw/zinc/91/19/21/1066911921.db2.gz DYLDHAPVRXHUNI-QHCPKHFHSA-N 0 0 452.551 4.860 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@@H]1COc2c1cccc2Cl)NCC1CCCCC1 ZINC001457753113 1066911998 /nfs/dbraw/zinc/91/19/98/1066911998.db2.gz FOTRAKVWYKOMHT-HXUWFJFHSA-N 0 0 459.011 4.992 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@H]2C)n1 ZINC001492736808 1066911974 /nfs/dbraw/zinc/91/19/74/1066911974.db2.gz UDMHWAUPKORCPR-OXQOHEQNSA-N 0 0 458.557 4.814 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC001457753994 1066912267 /nfs/dbraw/zinc/91/22/67/1066912267.db2.gz JROOPVQQJFSKTE-UHFFFAOYSA-N 0 0 458.986 4.935 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492737057 1066912424 /nfs/dbraw/zinc/91/24/24/1066912424.db2.gz DESFPCWAXSGTKR-ISKFKSNPSA-N 0 0 494.688 4.531 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)c3cc(-c4cccc(Br)c4)no3)C2)cc1C ZINC001448234072 1066912590 /nfs/dbraw/zinc/91/25/90/1066912590.db2.gz CWEBCANVJDNXLK-SFHVURJKSA-N 0 0 454.324 4.644 20 0 JJADRN Cc1ccc(Sc2nsc(NC(=O)[C@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001457757096 1066912657 /nfs/dbraw/zinc/91/26/57/1066912657.db2.gz NDRHMBJDCRLUNV-UKRRQHHQSA-N 0 0 452.577 4.531 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCc2ccsc2)n1 ZINC001492737247 1066912758 /nfs/dbraw/zinc/91/27/58/1066912758.db2.gz KZZPMACYDZLLOK-UHFFFAOYSA-N 0 0 481.573 4.556 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)c3cc(Br)cnc3OCC3CC3)cc2)n1 ZINC001457755065 1066912865 /nfs/dbraw/zinc/91/28/65/1066912865.db2.gz PVJILABUBDGQKC-UHFFFAOYSA-N 0 0 455.312 4.776 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2CCCc2ccnc(C(C)(C)C)n2)n1 ZINC001492737465 1066912902 /nfs/dbraw/zinc/91/29/02/1066912902.db2.gz UBQKDJGMPMXULW-UHFFFAOYSA-N 0 0 478.670 4.558 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cnn(Cc2ccccc2)c1Cl ZINC001457758120 1066913201 /nfs/dbraw/zinc/91/32/01/1066913201.db2.gz BMPIXLACXOSXDW-YQQQUEKLSA-N 0 0 458.990 4.635 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2CCOc2ccc(Cl)cc2)n1 ZINC001492737830 1066913145 /nfs/dbraw/zinc/91/31/45/1066913145.db2.gz FCWJZRBSWYXEJX-UHFFFAOYSA-N 0 0 457.022 4.889 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CC(F)(F)C3)n2Cc2ccccc2OCC(C)C)n1 ZINC001492738099 1066913315 /nfs/dbraw/zinc/91/33/15/1066913315.db2.gz NWBGUGPPDXNLHP-UHFFFAOYSA-N 0 0 472.584 4.704 20 0 JJADRN C[C@H](CC(=O)Nc1ncc(C2(O)CCCCC2)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457762068 1066913554 /nfs/dbraw/zinc/91/35/54/1066913554.db2.gz NZLRRAJYBNLRPN-IAGOWNOFSA-N 0 0 451.633 4.907 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc21 ZINC001448237390 1066913671 /nfs/dbraw/zinc/91/36/71/1066913671.db2.gz WBUZBHKOAOLXBA-UYAOXDASSA-N 0 0 459.340 4.874 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3cc(Br)cc(N4CCCC4)c3)C2)cc1C ZINC001448237011 1066913678 /nfs/dbraw/zinc/91/36/78/1066913678.db2.gz PSSMMCRIAJLECN-OAQYLSRUSA-N 0 0 456.384 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2C[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC001492739004 1066913705 /nfs/dbraw/zinc/91/37/05/1066913705.db2.gz RCTPUSKJHRRWTJ-ILBGXUMGSA-N 0 0 450.631 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCOc3ccc(F)cc3)n2Cc2ccc(Cl)s2)n1 ZINC001492739283 1066914037 /nfs/dbraw/zinc/91/40/37/1066914037.db2.gz CIFBOHVDVJZNBP-UHFFFAOYSA-N 0 0 489.020 4.947 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3nccs3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC001492739235 1066914161 /nfs/dbraw/zinc/91/41/61/1066914161.db2.gz APYGGBFVIANLLA-WOJBJXKFSA-N 0 0 485.702 4.505 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)c2nscc2I)c1 ZINC001448240289 1066914199 /nfs/dbraw/zinc/91/41/99/1066914199.db2.gz BOIDOEONACRWGI-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C3CCCC3)n2CC(F)(F)Br)n1 ZINC001492739907 1066914507 /nfs/dbraw/zinc/91/45/07/1066914507.db2.gz AJBZTKJYQYLECC-UHFFFAOYSA-N 0 0 459.383 4.532 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOCc3ccccc3)n2Cc2ccc(Cl)s2)n1 ZINC001492739950 1066914804 /nfs/dbraw/zinc/91/48/04/1066914804.db2.gz CHXAFMAWXJEZGP-UHFFFAOYSA-N 0 0 471.030 4.556 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001448245253 1066914835 /nfs/dbraw/zinc/91/48/35/1066914835.db2.gz KMRKHVBUATYAKX-OAQYLSRUSA-N 0 0 454.567 4.929 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492740156 1066914859 /nfs/dbraw/zinc/91/48/59/1066914859.db2.gz JWTYMSXTYMEFHF-PXNSSMCTSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC[C@H]2CCc3ccccc32)n1 ZINC001492740141 1066914978 /nfs/dbraw/zinc/91/49/78/1066914978.db2.gz JPTNQQOGDPXEOL-JOCHJYFZSA-N 0 0 450.631 4.511 20 0 JJADRN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001457769697 1066915234 /nfs/dbraw/zinc/91/52/34/1066915234.db2.gz YHMJLELHKVLYGH-MRXNPFEDSA-N 0 0 451.792 4.792 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2NC(=O)c3ccccc32)c(Br)c1 ZINC001448251253 1066915367 /nfs/dbraw/zinc/91/53/67/1066915367.db2.gz RXNXMICLCVMODJ-NRFANRHFSA-N 0 0 453.336 4.754 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1nc2ccccc2s1 ZINC001457772479 1066915671 /nfs/dbraw/zinc/91/56/71/1066915671.db2.gz GGDVUPUNPRJYRR-QGZVFWFLSA-N 0 0 451.375 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[C@@H]2CCO[C@@H](C)C2)n1 ZINC001492740872 1066916252 /nfs/dbraw/zinc/91/62/52/1066916252.db2.gz LLLBQLOKWJDHNL-RBUKOAKNSA-N 0 0 468.568 4.514 20 0 JJADRN O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001457774387 1066916388 /nfs/dbraw/zinc/91/63/88/1066916388.db2.gz IUFCRPPGMVIABQ-UHFFFAOYSA-N 0 0 453.873 4.567 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001492740920 1066916609 /nfs/dbraw/zinc/91/66/09/1066916609.db2.gz MVMHUJBXJPSRRS-UHFFFAOYSA-N 0 0 480.657 4.617 20 0 JJADRN O=C(NCCNC(=O)c1ccccc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001457774184 1066916611 /nfs/dbraw/zinc/91/66/11/1066916611.db2.gz NIQAEKOATKGSMZ-UHFFFAOYSA-N 0 0 452.429 4.613 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1cnc(Br)c(OC)c1)[C@H](c1ccccc1)C2 ZINC001457775676 1066917092 /nfs/dbraw/zinc/91/70/92/1066917092.db2.gz UWWBAWBEMGEVGT-FQEVSTJZSA-N 0 0 453.336 4.801 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCO[C@@H](C)c2ccccc2)n1 ZINC001492742074 1066917528 /nfs/dbraw/zinc/91/75/28/1066917528.db2.gz LGKRLTOWAFIOHK-MZKRTTBSSA-N 0 0 450.631 4.790 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)NC[C@H](O)c3cccc(Br)c3)c2)c1 ZINC001448338704 1066917596 /nfs/dbraw/zinc/91/75/96/1066917596.db2.gz ONDYUABFWVNZQP-QHCPKHFHSA-N 0 0 454.364 4.729 20 0 JJADRN Cc1cc(C)cc([C@H](O)CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 ZINC001448330757 1066917655 /nfs/dbraw/zinc/91/76/55/1066917655.db2.gz DZWGKPLBRGYCMA-HSZRJFAPSA-N 0 0 454.636 4.650 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccccc2OC(F)(F)F)n1 ZINC001492742095 1066918033 /nfs/dbraw/zinc/91/80/33/1066918033.db2.gz LPUHHLWSYJLHBW-HZPDHXFCSA-N 0 0 462.520 4.569 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492743032 1066918477 /nfs/dbraw/zinc/91/84/77/1066918477.db2.gz LCMYWFNDLVSQNL-NRFANRHFSA-N 0 0 473.547 4.673 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(F)c2N)[C@H](c2cccc(F)c2)C1 ZINC001448349179 1066918601 /nfs/dbraw/zinc/91/86/01/1066918601.db2.gz HIHYUGHNWOFUFF-KRWDZBQOSA-N 0 0 451.901 4.635 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2Cc2sccc2Br)n1 ZINC001492743135 1066918948 /nfs/dbraw/zinc/91/89/48/1066918948.db2.gz VVMWMZUHUKVAQH-ZFWWWQNUSA-N 0 0 463.449 4.637 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492744019 1066919294 /nfs/dbraw/zinc/91/92/94/1066919294.db2.gz DXCMQYGQVHKYRU-JTVPBKEVSA-N 0 0 499.704 4.876 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492744052 1066919393 /nfs/dbraw/zinc/91/93/93/1066919393.db2.gz FTLWIPAIRBRKAA-UHFFFAOYSA-N 0 0 481.592 4.721 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC001448357806 1066919392 /nfs/dbraw/zinc/91/93/92/1066919392.db2.gz QWHOMHKTZYMGEA-OAQYLSRUSA-N 0 0 450.539 4.666 20 0 JJADRN CCOC(=O)C1(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)CCC1 ZINC001457786988 1066919662 /nfs/dbraw/zinc/91/96/62/1066919662.db2.gz JRQVIADSIULDPP-CYBMUJFWSA-N 0 0 451.386 4.792 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CCOc2cccc(Cl)c2)n1 ZINC001492744568 1066920214 /nfs/dbraw/zinc/92/02/14/1066920214.db2.gz SFSIZUXAJPUPPH-UHFFFAOYSA-N 0 0 457.022 4.745 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC001457787929 1066920298 /nfs/dbraw/zinc/92/02/98/1066920298.db2.gz MHTGSNKLKDTVRS-YADARESESA-N 0 0 456.633 4.510 20 0 JJADRN COc1cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)ccc1OCc1cscn1 ZINC001448370839 1066920199 /nfs/dbraw/zinc/92/01/99/1066920199.db2.gz HHYBAMCPSZVFIM-LEWJYISDSA-N 0 0 454.548 4.665 20 0 JJADRN COc1cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)ccc1OCc1cscn1 ZINC001448370842 1066920385 /nfs/dbraw/zinc/92/03/85/1066920385.db2.gz HHYBAMCPSZVFIM-NHCUHLMSSA-N 0 0 454.548 4.665 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492744709 1066920577 /nfs/dbraw/zinc/92/05/77/1066920577.db2.gz WONXRZNWGDCYAG-UHFFFAOYSA-N 0 0 462.520 4.713 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N2CCc3c(F)cc(Br)cc3C2)s1 ZINC001457788815 1066920745 /nfs/dbraw/zinc/92/07/45/1066920745.db2.gz JKXNZOUSAOFWDA-UHFFFAOYSA-N 0 0 450.333 4.823 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCc2cc(Br)ccc2F)n1 ZINC001492745255 1066920911 /nfs/dbraw/zinc/92/09/11/1066920911.db2.gz KANHVLFLJZYBHA-CVEARBPZSA-N 0 0 489.437 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(O[C@H]4CCCC[C@H]4O)cc3)CCCC[C@H]12 ZINC001448382394 1066921130 /nfs/dbraw/zinc/92/11/30/1066921130.db2.gz YYSFJOWDATVPQU-FYBXHKAZSA-N 0 0 458.599 4.877 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001448380651 1066921156 /nfs/dbraw/zinc/92/11/56/1066921156.db2.gz BODVNFFBHQKTME-BRWVUGGUSA-N 0 0 457.398 4.772 20 0 JJADRN CC(C)(C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001457790011 1066921299 /nfs/dbraw/zinc/92/12/99/1066921299.db2.gz VHGKYMKEFYTMEB-UHFFFAOYSA-N 0 0 453.951 4.870 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001457789865 1066921331 /nfs/dbraw/zinc/92/13/31/1066921331.db2.gz MZTPURFKJDOJDI-UHFFFAOYSA-N 0 0 453.526 4.836 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC2(CC(C)C)CC2)n1 ZINC001492746480 1066921862 /nfs/dbraw/zinc/92/18/62/1066921862.db2.gz UXYNNGCPFUXHKT-UHFFFAOYSA-N 0 0 499.704 4.707 20 0 JJADRN Cc1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)nc2ccccc12 ZINC001448387591 1066922018 /nfs/dbraw/zinc/92/20/18/1066922018.db2.gz JFBKVKAROQPZIU-GOSISDBHSA-N 0 0 453.258 4.788 20 0 JJADRN Cc1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)nc2ccccc12 ZINC001448387593 1066922064 /nfs/dbraw/zinc/92/20/64/1066922064.db2.gz JFBKVKAROQPZIU-SFHVURJKSA-N 0 0 453.258 4.788 20 0 JJADRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001457794004 1066922109 /nfs/dbraw/zinc/92/21/09/1066922109.db2.gz WYZPZPPYCHCEPO-NRFANRHFSA-N 0 0 452.551 4.705 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1csc(-c2c(F)cccc2F)n1 ZINC001457793661 1066922298 /nfs/dbraw/zinc/92/22/98/1066922298.db2.gz WAYPQHOAWVDKMV-UHFFFAOYSA-N 0 0 451.380 4.940 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CCc2cc(Br)ccc21 ZINC001457793115 1066922324 /nfs/dbraw/zinc/92/23/24/1066922324.db2.gz UFVRZWQSYCTCAI-CQSZACIVSA-N 0 0 451.246 4.717 20 0 JJADRN COc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c(Cl)c1 ZINC001448394694 1066922442 /nfs/dbraw/zinc/92/24/42/1066922442.db2.gz POHFIJCTXWMSQM-HNNXBMFYSA-N 0 0 452.654 4.593 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4ccc(Cl)cc4C3)n2CCSC(F)(F)F)n1 ZINC001492747966 1066922631 /nfs/dbraw/zinc/92/26/31/1066922631.db2.gz SMCFBVUXRGDAIX-UHFFFAOYSA-N 0 0 470.952 4.609 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC=C(c4ccccc4)C3)n2CCSCC(C)C)n1 ZINC001492747751 1066922647 /nfs/dbraw/zinc/92/26/47/1066922647.db2.gz KWQPXNQBCQPWSF-UHFFFAOYSA-N 0 0 450.656 4.823 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)C2CCOCC2)ccc1OCc1ccc(Br)s1 ZINC001457796815 1066922648 /nfs/dbraw/zinc/92/26/48/1066922648.db2.gz WDMCKBIKFKLTDA-ZDUSSCGKSA-N 0 0 454.386 4.643 20 0 JJADRN O=C(CCc1cccc(F)c1F)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448398763 1066922818 /nfs/dbraw/zinc/92/28/18/1066922818.db2.gz UOZRLORENYZWDG-OAHLLOKOSA-N 0 0 452.217 4.529 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4cc(OCC(C)(C)C)ccc4C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001492748098 1066922992 /nfs/dbraw/zinc/92/29/92/1066922992.db2.gz WRWWDUSVCFAPFX-MUUNZHRXSA-N 0 0 494.684 4.534 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)cc(OC)cc1OC ZINC001457800168 1066923117 /nfs/dbraw/zinc/92/31/17/1066923117.db2.gz FJFNWOSFUIVQSK-UHFFFAOYSA-N 0 0 456.882 4.554 20 0 JJADRN C[C@@](NC(=O)c1cc2ccccc2cc1OC(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457797500 1066923220 /nfs/dbraw/zinc/92/32/20/1066923220.db2.gz APEIBVHWNDURFE-NRFANRHFSA-N 0 0 452.379 4.591 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC001448399199 1066923355 /nfs/dbraw/zinc/92/33/55/1066923355.db2.gz KDAXYKALHRPQLG-SFHVURJKSA-N 0 0 453.421 4.925 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCCN(C)c2ccccc2)n1 ZINC001492748889 1066923435 /nfs/dbraw/zinc/92/34/35/1066923435.db2.gz QEGDMVJPAJEFPC-XMMPIXPASA-N 0 0 463.674 4.929 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC001457800927 1066923676 /nfs/dbraw/zinc/92/36/76/1066923676.db2.gz CLDUQRGPUYBUJV-LLVKDONJSA-N 0 0 452.761 4.705 20 0 JJADRN C[C@@H](O)[C@@](C)(CNC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)Cc1ccccc1 ZINC001457801709 1066923689 /nfs/dbraw/zinc/92/36/89/1066923689.db2.gz IIMADTLURQDDCG-WHLCRQNOSA-N 0 0 456.542 4.680 20 0 JJADRN Nc1ccc(I)cc1C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC001448404025 1066923612 /nfs/dbraw/zinc/92/36/12/1066923612.db2.gz BQTICUDZAPPXGM-UHFFFAOYSA-N 0 0 455.708 4.903 20 0 JJADRN CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1OC ZINC001457804123 1066924109 /nfs/dbraw/zinc/92/41/09/1066924109.db2.gz ISCIRBFPPYQZIH-UHFFFAOYSA-N 0 0 458.967 4.642 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448406667 1066924077 /nfs/dbraw/zinc/92/40/77/1066924077.db2.gz RUONNAJVMYUTRC-OAHLLOKOSA-N 0 0 455.393 4.533 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1CSC)NC(=O)OC(C)(C)C ZINC001546005615 1066924124 /nfs/dbraw/zinc/92/41/24/1066924124.db2.gz GBHOVZGBBSLCTQ-LEWJYISDSA-N 0 0 473.687 4.698 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492749284 1066924181 /nfs/dbraw/zinc/92/41/81/1066924181.db2.gz XNPYENHCIMFUHA-LJQANCHMSA-N 0 0 460.548 4.672 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](C)COCc2ccccc2)n1 ZINC001492749371 1066924283 /nfs/dbraw/zinc/92/42/83/1066924283.db2.gz ZLTVCOQWCXGLQA-PXDATVDWSA-N 0 0 464.658 4.865 20 0 JJADRN CC/C(=C/C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)c1ccc(OC)cc1 ZINC001448408085 1066924512 /nfs/dbraw/zinc/92/45/12/1066924512.db2.gz UMRAPJNAORNFNG-SSZMPNMXSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C(C)C)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492749629 1066924696 /nfs/dbraw/zinc/92/46/96/1066924696.db2.gz FXZKDZNRDZHLDS-HXUWFJFHSA-N 0 0 455.676 4.761 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cn1)c1ccccc1 ZINC001448409297 1066924971 /nfs/dbraw/zinc/92/49/71/1066924971.db2.gz XAHQWGCDHZKOOT-GHTZIAJQSA-N 0 0 453.583 4.987 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C)n2C[C@@H](F)c2ccc(Br)cc2)n1 ZINC001492749879 1066924964 /nfs/dbraw/zinc/92/49/64/1066924964.db2.gz LGEBCMMUKVUGTJ-HNAYVOBHSA-N 0 0 461.383 4.602 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C)n2C[C@@H](F)c2ccc(Br)cc2)n1 ZINC001492749878 1066925038 /nfs/dbraw/zinc/92/50/38/1066925038.db2.gz LGEBCMMUKVUGTJ-DNVCBOLYSA-N 0 0 461.383 4.602 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1ccc2n[nH]c(=S)n2c1 ZINC001448408592 1066925085 /nfs/dbraw/zinc/92/50/85/1066925085.db2.gz AHZSEQVSSDYADY-UHFFFAOYSA-N 0 0 459.300 4.964 20 0 JJADRN Cc1ccc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457809122 1066925351 /nfs/dbraw/zinc/92/53/51/1066925351.db2.gz IBSBMGSDYUGDIX-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001457807349 1066925378 /nfs/dbraw/zinc/92/53/78/1066925378.db2.gz YIARVAIQKALSHD-TZIWHRDSSA-N 0 0 459.384 4.688 20 0 JJADRN CCOC(=O)c1c(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)cc(OC)cc1OC ZINC001457808579 1066925442 /nfs/dbraw/zinc/92/54/42/1066925442.db2.gz ZMIMLRPBKQKWTJ-UHFFFAOYSA-N 0 0 459.502 4.536 20 0 JJADRN COc1cc(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c(C)c1OC ZINC001448416021 1066925554 /nfs/dbraw/zinc/92/55/54/1066925554.db2.gz NPVGUDCPNOUUCP-NVXWUHKLSA-N 0 0 450.576 4.633 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCCSCC(C)C)n1 ZINC001492750615 1066925482 /nfs/dbraw/zinc/92/54/82/1066925482.db2.gz CYDSUYJMEGGKNN-QHCPKHFHSA-N 0 0 468.671 4.966 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492750488 1066925586 /nfs/dbraw/zinc/92/55/86/1066925586.db2.gz ZEJQDZYLGGEPSW-GPXNEJASSA-N 0 0 486.705 4.765 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001492750878 1066925972 /nfs/dbraw/zinc/92/59/72/1066925972.db2.gz LHRYHHXVPTXXHA-HXUWFJFHSA-N 0 0 450.631 4.849 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448432954 1066926756 /nfs/dbraw/zinc/92/67/56/1066926756.db2.gz SFAPYXOCGVNHGN-BONVTDFDSA-N 0 0 455.782 4.995 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCOC4(C3)CCCCCC4)n2CCCSCC(C)C)n1 ZINC001492754665 1066927143 /nfs/dbraw/zinc/92/71/43/1066927143.db2.gz FGCRBUUUZFCCJC-UHFFFAOYSA-N 0 0 474.719 4.849 20 0 JJADRN Cc1ccc(N(CCC(=O)N2CCc3cc(F)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001448436022 1066927250 /nfs/dbraw/zinc/92/72/50/1066927250.db2.gz JIWMEOWPCDCRHY-UHFFFAOYSA-N 0 0 452.551 4.617 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492756013 1066927548 /nfs/dbraw/zinc/92/75/48/1066927548.db2.gz OZTCULQCODDSRW-JKSUJKDBSA-N 0 0 482.551 4.676 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492755634 1066927646 /nfs/dbraw/zinc/92/76/46/1066927646.db2.gz FPHPDLKQEXDJBA-ROUUACIJSA-N 0 0 478.588 4.731 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC001448439813 1066927621 /nfs/dbraw/zinc/92/76/21/1066927621.db2.gz ZWMPFMNSNSJIHM-OAHLLOKOSA-N 0 0 452.256 4.883 20 0 JJADRN CO[C@@H](C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)c1ccccc1 ZINC001457820393 1066927898 /nfs/dbraw/zinc/92/78/98/1066927898.db2.gz LAJFCLXQAPVTKS-RUZDIDTESA-N 0 0 450.966 4.955 20 0 JJADRN C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(I)c(Cl)c1 ZINC001448444339 1066928005 /nfs/dbraw/zinc/92/80/05/1066928005.db2.gz UCTLUYCMBIDRSM-CYBMUJFWSA-N 0 0 452.723 4.852 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1 ZINC001457820607 1066928109 /nfs/dbraw/zinc/92/81/09/1066928109.db2.gz VHDSJUPFSLQJIP-IBGZPJMESA-N 0 0 452.498 4.734 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001492756319 1066928063 /nfs/dbraw/zinc/92/80/63/1066928063.db2.gz XUVYASXFEKHRBS-LJQANCHMSA-N 0 0 487.743 4.714 20 0 JJADRN C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(I)c(Cl)c1 ZINC001448444342 1066928090 /nfs/dbraw/zinc/92/80/90/1066928090.db2.gz UCTLUYCMBIDRSM-ZDUSSCGKSA-N 0 0 452.723 4.852 20 0 JJADRN Cc1c(NC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)nnn1CCOc1ccc(F)cc1 ZINC001448442029 1066928101 /nfs/dbraw/zinc/92/81/01/1066928101.db2.gz CUZKZNVMKKDHNA-PDGQHHTCSA-N 0 0 452.383 4.773 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)c1cccc(F)c1 ZINC001448442812 1066928177 /nfs/dbraw/zinc/92/81/77/1066928177.db2.gz CMVOPAXQBWDJCG-BULFRSBZSA-N 0 0 454.542 4.554 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(C)sc1-n1cccc1 ZINC001448444456 1066928183 /nfs/dbraw/zinc/92/81/83/1066928183.db2.gz UXRRNUUOMNXISB-UHFFFAOYSA-N 0 0 450.391 4.933 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)CCc3nc4cc(Br)ccc4s3)CCN2)cc1 ZINC001448447995 1066928350 /nfs/dbraw/zinc/92/83/50/1066928350.db2.gz ICJQRWXQKAMLNK-IBGZPJMESA-N 0 0 458.425 4.727 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(C)C)c3)C2)n1 ZINC001492756942 1066928357 /nfs/dbraw/zinc/92/83/57/1066928357.db2.gz QDZSOBSLSCNAGU-QHCPKHFHSA-N 0 0 479.673 4.784 20 0 JJADRN Cc1nc(C)c(CC(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)s1 ZINC001457824991 1066928389 /nfs/dbraw/zinc/92/83/89/1066928389.db2.gz XXOHZZJNZFMABY-UHFFFAOYSA-N 0 0 456.011 4.884 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001457824496 1066928480 /nfs/dbraw/zinc/92/84/80/1066928480.db2.gz VMHCEYWDDAYVBC-UHFFFAOYSA-N 0 0 459.137 4.587 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492757342 1066928923 /nfs/dbraw/zinc/92/89/23/1066928923.db2.gz WYVIPQSFZQRYGH-FXAWDEMLSA-N 0 0 491.562 4.722 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3Cc3c(Cl)c(C(F)(F)F)nn3C)CC2)n1 ZINC001492757605 1066929321 /nfs/dbraw/zinc/92/93/21/1066929321.db2.gz IIAQEGWDPMQBQT-UHFFFAOYSA-N 0 0 498.985 4.585 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546006152 1066929367 /nfs/dbraw/zinc/92/93/67/1066929367.db2.gz QANMWXVOYGDSBQ-YADHBBJMSA-N 0 0 475.678 4.567 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)c2cccnc12 ZINC001457827326 1066929294 /nfs/dbraw/zinc/92/92/94/1066929294.db2.gz CAGBUYWFEDYAMD-UHFFFAOYSA-N 0 0 454.788 4.591 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(OC(F)F)cc1F ZINC001457828315 1066929305 /nfs/dbraw/zinc/92/93/05/1066929305.db2.gz MGLALBVZHNDIBA-UHFFFAOYSA-N 0 0 457.290 4.584 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)n1 ZINC001457830445 1066929697 /nfs/dbraw/zinc/92/96/97/1066929697.db2.gz ZQKVRKYJZNNQLI-JOCHJYFZSA-N 0 0 454.615 4.908 20 0 JJADRN Cc1sc2ncnc(SCC(=O)Nc3cc([C@@H](O)c4ccccn4)ccc3C)c2c1C ZINC001448457679 1066929791 /nfs/dbraw/zinc/92/97/91/1066929791.db2.gz CGSKDXHGDPEJJK-OAQYLSRUSA-N 0 0 450.589 4.824 20 0 JJADRN O=C([C@@H]1C[C@H](c2ccccc2)OC1=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448461040 1066929930 /nfs/dbraw/zinc/92/99/30/1066929930.db2.gz USHQFZKBDSHNLV-QFBILLFUSA-N 0 0 451.416 4.677 20 0 JJADRN Cn1nc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1NC(=O)OC(C)(C)C ZINC001448457264 1066929940 /nfs/dbraw/zinc/92/99/40/1066929940.db2.gz PCCOFAHHBRUDRL-CQSZACIVSA-N 0 0 450.820 4.593 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC001457832287 1066930281 /nfs/dbraw/zinc/93/02/81/1066930281.db2.gz KEHMKHWXBFNJAA-HSZRJFAPSA-N 0 0 454.636 4.797 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)(C)O)CC2)n1 ZINC001492759026 1066930474 /nfs/dbraw/zinc/93/04/74/1066930474.db2.gz TWRCMITYPJUMNS-UHFFFAOYSA-N 0 0 477.440 4.753 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001546006403 1066930612 /nfs/dbraw/zinc/93/06/12/1066930612.db2.gz UHFKWPAUHHJKID-BPQIPLTHSA-N 0 0 473.584 4.949 20 0 JJADRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001448473088 1066930736 /nfs/dbraw/zinc/93/07/36/1066930736.db2.gz FQPOAVHIEHUULA-RVFVQDDPSA-N 0 0 464.606 4.783 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCOCC(F)F)CC2)n1 ZINC001492758914 1066931268 /nfs/dbraw/zinc/93/12/68/1066931268.db2.gz PVXWXURXVFXHIR-UHFFFAOYSA-N 0 0 493.002 4.534 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C4CCCC4)n3C[C@](C)(O)CCC(C)C)CC2)n1 ZINC001492758964 1066931522 /nfs/dbraw/zinc/93/15/22/1066931522.db2.gz RGJDFUIEBNBCPW-AREMUKBSSA-N 0 0 456.679 4.853 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC[C@H]2C)n1 ZINC001492759616 1066931664 /nfs/dbraw/zinc/93/16/64/1066931664.db2.gz IRSLAKSHCMPDJI-NHCUHLMSSA-N 0 0 487.048 4.817 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)c1 ZINC001546006823 1066931817 /nfs/dbraw/zinc/93/18/17/1066931817.db2.gz BTAIMSBRWKIIKJ-XUZZJYLKSA-N 0 0 451.611 4.854 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006734 1066931983 /nfs/dbraw/zinc/93/19/83/1066931983.db2.gz ZUCMABUACCRGIK-UNMCSNQZSA-N 0 0 469.630 4.582 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006733 1066932028 /nfs/dbraw/zinc/93/20/28/1066932028.db2.gz ZUCMABUACCRGIK-RBBKRZOGSA-N 0 0 469.630 4.582 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001492760350 1066932010 /nfs/dbraw/zinc/93/20/10/1066932010.db2.gz BLPMOMVZMQNYIE-QGZVFWFLSA-N 0 0 493.475 4.536 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N2CCCCCC2)n1 ZINC001492760425 1066932282 /nfs/dbraw/zinc/93/22/82/1066932282.db2.gz FCSHAGVKWURAJS-UHFFFAOYSA-N 0 0 457.420 4.992 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448489151 1066932320 /nfs/dbraw/zinc/93/23/20/1066932320.db2.gz NSXNAELRBHQGCG-AHRSYUTCSA-N 0 0 455.521 4.755 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)[C@@H](C)Oc3ccc(C(F)(F)F)cc3)cc2c(OC)c1 ZINC001457854231 1066932237 /nfs/dbraw/zinc/93/22/37/1066932237.db2.gz IIHKOVVYZFFKOC-CQSZACIVSA-N 0 0 450.457 4.720 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCSCC2)n1 ZINC001492760653 1066932981 /nfs/dbraw/zinc/93/29/81/1066932981.db2.gz MNBFJJCPYSSQKX-UHFFFAOYSA-N 0 0 495.878 4.818 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C)[C@H]2C)n1 ZINC001492760586 1066933136 /nfs/dbraw/zinc/93/31/36/1066933136.db2.gz KLCLWVYKGQIEJB-MAUKXSAKSA-N 0 0 457.420 4.846 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001457867999 1066933191 /nfs/dbraw/zinc/93/31/91/1066933191.db2.gz HDPYMQZTEKJEKD-FCHUYYIVSA-N 0 0 456.464 4.978 20 0 JJADRN O=C(NCCc1ccccc1OC(F)(F)F)c1cc(Br)cc(N2CCCC2)c1 ZINC001457866274 1066933319 /nfs/dbraw/zinc/93/33/19/1066933319.db2.gz CYHSOLVYDZGBAM-UHFFFAOYSA-N 0 0 457.290 4.920 20 0 JJADRN COc1nc2ccc(NC(=O)c3cc(Br)cc(Br)c3N)cc2s1 ZINC001448499462 1066933468 /nfs/dbraw/zinc/93/34/68/1066933468.db2.gz UMAHJPZRQAHMTH-UHFFFAOYSA-N 0 0 457.147 4.664 20 0 JJADRN O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1)C(F)(F)c1ccccc1Br ZINC001448499413 1066933537 /nfs/dbraw/zinc/93/35/37/1066933537.db2.gz DGLLXCZIWCLYIT-CQSZACIVSA-N 0 0 452.343 4.985 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001457868003 1066933625 /nfs/dbraw/zinc/93/36/25/1066933625.db2.gz HDPYMQZTEKJEKD-FGZHOGPDSA-N 0 0 456.464 4.978 20 0 JJADRN CC1(C)CC(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CC(C)(C)C1 ZINC001448499392 1066933734 /nfs/dbraw/zinc/93/37/34/1066933734.db2.gz CZAREMXEMHESAZ-UHFFFAOYSA-N 0 0 459.432 4.826 20 0 JJADRN Cc1cc(C)n(CCCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(C)CC2)n1 ZINC001492761273 1066933907 /nfs/dbraw/zinc/93/39/07/1066933907.db2.gz HVYCYHHNHQCYMB-UHFFFAOYSA-N 0 0 485.677 4.533 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457871738 1066934117 /nfs/dbraw/zinc/93/41/17/1066934117.db2.gz KFVLDHUPWKMXCD-IBGZPJMESA-N 0 0 458.628 4.724 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1SC ZINC001457873005 1066934191 /nfs/dbraw/zinc/93/41/91/1066934191.db2.gz LHIFMKBHTJNYKS-RUZDIDTESA-N 0 0 456.608 4.708 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)CCc2cccs2)n1 ZINC001492761780 1066934064 /nfs/dbraw/zinc/93/40/64/1066934064.db2.gz WOYUFUHAQJNVKQ-UHFFFAOYSA-N 0 0 470.593 4.791 20 0 JJADRN COc1nc2ccc(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)cc2s1 ZINC001448502009 1066934209 /nfs/dbraw/zinc/93/42/09/1066934209.db2.gz WYXCZZVRSBHZQZ-SANMLTNESA-N 0 0 453.383 4.594 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCCCc3nc4ccccc4s3)CC2)c1 ZINC001457875521 1066934466 /nfs/dbraw/zinc/93/44/66/1066934466.db2.gz NBZUYNDGCKASRH-UHFFFAOYSA-N 0 0 453.608 4.765 20 0 JJADRN COc1cccc(C2(C(=O)NCc3cnn(-c4ccc(Br)cc4)c3)CCCC2)c1 ZINC001448506742 1066934469 /nfs/dbraw/zinc/93/44/69/1066934469.db2.gz VEHKVQCNNMCVRF-UHFFFAOYSA-N 0 0 454.368 4.772 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C(C)C)n1 ZINC001492761867 1066934738 /nfs/dbraw/zinc/93/47/38/1066934738.db2.gz YWVJOOBDPKMYJM-DHIUTWEWSA-N 0 0 499.704 4.921 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)nc3C2)c1 ZINC001448508417 1066934906 /nfs/dbraw/zinc/93/49/06/1066934906.db2.gz VIOURWJTSABBQT-OAQYLSRUSA-N 0 0 450.627 4.863 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccccc2)n1 ZINC001492762400 1066934936 /nfs/dbraw/zinc/93/49/36/1066934936.db2.gz QFXXOBVRECWZDM-DNQXCXABSA-N 0 0 480.657 4.616 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)nn2C)cc1OC ZINC001448509274 1066935222 /nfs/dbraw/zinc/93/52/22/1066935222.db2.gz MNKLSHKBIOHGCF-SAABIXHNSA-N 0 0 459.468 4.799 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC[C@H](C)c2ccccc2)cc1 ZINC001448508487 1066935230 /nfs/dbraw/zinc/93/52/30/1066935230.db2.gz LOLZLYBUKYSGKP-SFHVURJKSA-N 0 0 454.617 4.670 20 0 JJADRN CC(C)COc1ccc(CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC001457882582 1066935288 /nfs/dbraw/zinc/93/52/88/1066935288.db2.gz DMGMJHBAYZAGRC-HNNXBMFYSA-N 0 0 458.356 4.954 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C3CCOCC3)c2)cc1 ZINC001448518179 1066935454 /nfs/dbraw/zinc/93/54/54/1066935454.db2.gz PNQKOVDKDYHKAV-UHFFFAOYSA-N 0 0 458.624 4.765 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc(CSc3ccc(Cl)cc3)n1CCSCC(C)C)C2 ZINC001492763572 1066935713 /nfs/dbraw/zinc/93/57/13/1066935713.db2.gz IBWQJJJKICMQCP-UHFFFAOYSA-N 0 0 478.091 4.533 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc([C@@H](C)Oc3cccc(Cl)c3)n1CCCC(C)(C)C)C2 ZINC001492762876 1066935755 /nfs/dbraw/zinc/93/57/55/1066935755.db2.gz JPLRKLXTVGOVAR-MRXNPFEDSA-N 0 0 458.010 4.818 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)n2)cc1 ZINC001457882915 1066935773 /nfs/dbraw/zinc/93/57/73/1066935773.db2.gz GPYCJKARTDTESI-LBPRGKRZSA-N 0 0 457.321 4.678 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001448522892 1066936038 /nfs/dbraw/zinc/93/60/38/1066936038.db2.gz WHYOYUMHJSKECX-LPHOPBHVSA-N 0 0 456.302 4.735 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N[C@H](CC3CCCC3)c3ccccc3)=NO2)C1 ZINC001546007417 1066936093 /nfs/dbraw/zinc/93/60/93/1066936093.db2.gz VWWGMHGLISHKGP-RLWLMLJZSA-N 0 0 455.599 4.970 20 0 JJADRN Cc1nnc(CCCn2c(C(C)C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)s1 ZINC001492764688 1066936266 /nfs/dbraw/zinc/93/62/66/1066936266.db2.gz MEPJIVAIFHZCFR-DFNIBXOVSA-N 0 0 489.690 4.561 20 0 JJADRN Cc1cc(=O)c(C(=O)N(Cc2ccccc2F)C2CCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001457885890 1066936594 /nfs/dbraw/zinc/93/65/94/1066936594.db2.gz IAJRCPMWYNQQTR-UHFFFAOYSA-N 0 0 459.443 4.894 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001448536586 1066936721 /nfs/dbraw/zinc/93/67/21/1066936721.db2.gz QPBCYHAQMKLOEM-LJQANCHMSA-N 0 0 451.567 4.689 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CC[C@@H](C)[C@H](C)C2)s1 ZINC001492765403 1066936931 /nfs/dbraw/zinc/93/69/31/1066936931.db2.gz GDBCPNDXXXOOMC-HUUCEWRRSA-N 0 0 475.460 4.983 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CC[C@H](C)[C@H](C)C2)s1 ZINC001492765404 1066937005 /nfs/dbraw/zinc/93/70/05/1066937005.db2.gz GDBCPNDXXXOOMC-LSDHHAIUSA-N 0 0 475.460 4.983 20 0 JJADRN CCOc1cccc(CNC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1OC(F)F ZINC001457888851 1066936894 /nfs/dbraw/zinc/93/68/94/1066936894.db2.gz SWVMPUHLOAHTHA-UHFFFAOYSA-N 0 0 455.383 4.821 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448538051 1066937097 /nfs/dbraw/zinc/93/70/97/1066937097.db2.gz HZNFMXDOVJABOB-KPZWWZAWSA-N 0 0 453.739 4.724 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448537784 1066937105 /nfs/dbraw/zinc/93/71/05/1066937105.db2.gz GCSOQPKRUVVDMZ-INIZCTEOSA-N 0 0 457.137 4.963 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccn3)n2CCc2ccccc2C(F)(F)F)CCO1 ZINC001546094926 1066937240 /nfs/dbraw/zinc/93/72/40/1066937240.db2.gz BZJANGRBUWJXIT-QHCPKHFHSA-N 0 0 459.516 4.531 20 0 JJADRN COc1cc(CC(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cc(OC)c1O ZINC001457891588 1066937260 /nfs/dbraw/zinc/93/72/60/1066937260.db2.gz BGVLZMUMWRAZTQ-UHFFFAOYSA-N 0 0 451.704 4.555 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448538054 1066937254 /nfs/dbraw/zinc/93/72/54/1066937254.db2.gz HZNFMXDOVJABOB-XIKOKIGWSA-N 0 0 453.739 4.724 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccco2)s1 ZINC001492765628 1066937257 /nfs/dbraw/zinc/93/72/57/1066937257.db2.gz MGJXPCLSPWOCON-UHFFFAOYSA-N 0 0 479.429 4.791 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)C/C=C\c1ccc(Br)cc1 ZINC001457894098 1066937573 /nfs/dbraw/zinc/93/75/73/1066937573.db2.gz LZNNDODDGWMZOI-ZRHASKPBSA-N 0 0 456.258 4.642 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546007783 1066937655 /nfs/dbraw/zinc/93/76/55/1066937655.db2.gz FFNXNCAHLGGILO-CTNGQTDRSA-N 0 0 466.630 4.821 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)C/C=C/c1ccc(Br)cc1 ZINC001457894092 1066937712 /nfs/dbraw/zinc/93/77/12/1066937712.db2.gz LZNNDODDGWMZOI-RTLBZRNLSA-N 0 0 456.258 4.642 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492765735 1066937801 /nfs/dbraw/zinc/93/78/01/1066937801.db2.gz PRPOIAGLRKRZIC-CQSZACIVSA-N 0 0 471.940 4.565 20 0 JJADRN COc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c2ccccc12 ZINC001448543362 1066937900 /nfs/dbraw/zinc/93/79/00/1066937900.db2.gz UPAACRJWBKXIAI-UHFFFAOYSA-N 0 0 457.343 4.708 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1c(C)c(C)sc1Br ZINC001457897166 1066938016 /nfs/dbraw/zinc/93/80/16/1066938016.db2.gz XMNVUFWZGISJBG-CQSZACIVSA-N 0 0 450.276 4.531 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001457896524 1066938050 /nfs/dbraw/zinc/93/80/50/1066938050.db2.gz UGLZKSGJWVNJFF-GOSISDBHSA-N 0 0 457.452 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC001448546711 1066938269 /nfs/dbraw/zinc/93/82/69/1066938269.db2.gz ZKFBXEDOCSZXGU-POZUXBRTSA-N 0 0 454.876 4.995 20 0 JJADRN Cc1cc(C)n(CCCC(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)n1 ZINC001448549853 1066938371 /nfs/dbraw/zinc/93/83/71/1066938371.db2.gz MQLYTQQBWKEPCH-UHFFFAOYSA-N 0 0 454.493 4.962 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001457898017 1066938342 /nfs/dbraw/zinc/93/83/42/1066938342.db2.gz JPHIWVROLOLZMT-OAQYLSRUSA-N 0 0 454.935 4.545 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457899816 1066938399 /nfs/dbraw/zinc/93/83/99/1066938399.db2.gz OHNPEKHBZHDSRR-OYHNWAKOSA-N 0 0 458.320 4.786 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492766026 1066938626 /nfs/dbraw/zinc/93/86/26/1066938626.db2.gz ZHVOHAXBKSBCOI-IXDOHACOSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001448553691 1066938805 /nfs/dbraw/zinc/93/88/05/1066938805.db2.gz MQRIIEKFQVEDTE-PGRDOPGGSA-N 0 0 458.942 4.874 20 0 JJADRN Cc1ccccc1C[C@H](C)C(=O)Nc1ncc(Br)cc1I ZINC001457901057 1066938833 /nfs/dbraw/zinc/93/88/33/1066938833.db2.gz ADAXSKSXICVWGH-NSHDSACASA-N 0 0 459.125 4.574 20 0 JJADRN CN(c1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C1CCCC1 ZINC001457905068 1066939211 /nfs/dbraw/zinc/93/92/11/1066939211.db2.gz YJAGSNQPRRECGS-FQEVSTJZSA-N 0 0 454.958 4.563 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@@H](CO)CC1CCCC1 ZINC001448566292 1066939258 /nfs/dbraw/zinc/93/92/58/1066939258.db2.gz SUNSQYNNVHTCEF-IBGZPJMESA-N 0 0 455.986 4.574 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1 ZINC001457906062 1066939726 /nfs/dbraw/zinc/93/97/26/1066939726.db2.gz JSFALFRNLRYIQV-UHFFFAOYSA-N 0 0 458.436 4.926 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)Cc3csc(COc4ccccc4)n3)n2)ccc1F ZINC001457905359 1066939802 /nfs/dbraw/zinc/93/98/02/1066939802.db2.gz AKGCJRXLINPKBK-OAHLLOKOSA-N 0 0 452.511 4.640 20 0 JJADRN O=C(c1csc(Nc2cc(F)cc(F)c2)n1)N(CCc1ccccn1)Cc1ccncc1 ZINC001448569182 1066939860 /nfs/dbraw/zinc/93/98/60/1066939860.db2.gz IIFNZJYXTKQTKZ-UHFFFAOYSA-N 0 0 451.502 4.840 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NC(C)(C)c2cccc(Cl)c2F)C1(C)C ZINC001457910299 1066940045 /nfs/dbraw/zinc/94/00/45/1066940045.db2.gz WTRVDYAGPDHBRA-WAIKUNEKSA-N 0 0 456.986 4.929 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)s1 ZINC001492767249 1066940267 /nfs/dbraw/zinc/94/02/67/1066940267.db2.gz KZRVVFOIZCNLFR-SFHVURJKSA-N 0 0 475.663 4.523 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(\C)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001448577273 1066940347 /nfs/dbraw/zinc/94/03/47/1066940347.db2.gz GCAXTKCBKYPBHV-DQRYEYLNSA-N 0 0 453.489 4.591 20 0 JJADRN Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)c2ccccc2F)s1 ZINC001492767705 1066940490 /nfs/dbraw/zinc/94/04/90/1066940490.db2.gz BWTKXISWVQIBIX-LBPRGKRZSA-N 0 0 490.406 4.775 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492767568 1066940564 /nfs/dbraw/zinc/94/05/64/1066940564.db2.gz AIAMJYGBZSDPIV-ZDUSSCGKSA-N 0 0 484.523 4.739 20 0 JJADRN Cc1nnc(CCCn2c(N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)nnc2C(C)(C)C)s1 ZINC001492767485 1066940576 /nfs/dbraw/zinc/94/05/76/1066940576.db2.gz SVICWLUTWIQLRB-SFHVURJKSA-N 0 0 494.587 4.965 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)s1 ZINC001492767431 1066940587 /nfs/dbraw/zinc/94/05/87/1066940587.db2.gz QUNISZHUJVZCRM-HXUWFJFHSA-N 0 0 488.633 4.573 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492767622 1066940639 /nfs/dbraw/zinc/94/06/39/1066940639.db2.gz AYKSYCLREIHZMW-KBPBESRZSA-N 0 0 461.433 4.593 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Br)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001448588818 1066940570 /nfs/dbraw/zinc/94/05/70/1066940570.db2.gz JWBCXCGRTCIHBM-UHFFFAOYSA-N 0 0 456.302 4.925 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC001448585886 1066940739 /nfs/dbraw/zinc/94/07/39/1066940739.db2.gz HBGXIZFHYPBGRI-HXUWFJFHSA-N 0 0 452.595 4.730 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 ZINC001457914226 1066941014 /nfs/dbraw/zinc/94/10/14/1066941014.db2.gz WMUHGTDQFBCIJG-JOCHJYFZSA-N 0 0 453.441 4.681 20 0 JJADRN Cc1nnc(CCCn2c(Nc3cnn(C)c3)nnc2[C@H](C)Oc2c(C)cc(Cl)cc2C)s1 ZINC001492767700 1066940900 /nfs/dbraw/zinc/94/09/00/1066940900.db2.gz XVCNJNNSFKQIDG-HNNXBMFYSA-N 0 0 487.033 4.958 20 0 JJADRN CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)CC1)OC ZINC001546008173 1066941115 /nfs/dbraw/zinc/94/11/15/1066941115.db2.gz LUROZZGTJBJNKQ-GOSISDBHSA-N 0 0 456.965 4.912 20 0 JJADRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001448609084 1066941510 /nfs/dbraw/zinc/94/15/10/1066941510.db2.gz DIOFDUQGNVEQFV-FMKPAKJESA-N 0 0 455.288 4.620 20 0 JJADRN Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)c2cccs2)s1 ZINC001492768152 1066941819 /nfs/dbraw/zinc/94/18/19/1066941819.db2.gz OUDTXUUAQNQPDJ-MRXNPFEDSA-N 0 0 481.651 4.809 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)s1 ZINC001492768295 1066942231 /nfs/dbraw/zinc/94/22/31/1066942231.db2.gz SORFCHVGKGBMKE-LSDHHAIUSA-N 0 0 487.630 4.656 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC001546008277 1066942329 /nfs/dbraw/zinc/94/23/29/1066942329.db2.gz NQJUIZWBPIJZOX-IBGZPJMESA-N 0 0 495.653 4.677 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492768311 1066942272 /nfs/dbraw/zinc/94/22/72/1066942272.db2.gz TYQLLTSHMDJLAR-ZDUSSCGKSA-N 0 0 473.400 4.901 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492768360 1066942299 /nfs/dbraw/zinc/94/22/99/1066942299.db2.gz VERHATQXSUAPLR-CVEARBPZSA-N 0 0 458.607 4.832 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOC)CCCC2)CCO1 ZINC001546095077 1066942408 /nfs/dbraw/zinc/94/24/08/1066942408.db2.gz FZPGPWIFLWWSEX-DEOSSOPVSA-N 0 0 462.585 4.749 20 0 JJADRN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1)Oc1ccccc1F ZINC001546008254 1066942489 /nfs/dbraw/zinc/94/24/89/1066942489.db2.gz NGQODUGHQIZFCY-HXUWFJFHSA-N 0 0 469.605 4.580 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC001457931000 1066942703 /nfs/dbraw/zinc/94/27/03/1066942703.db2.gz VOKWWCFJYNTGFY-FQEVSTJZSA-N 0 0 454.954 4.842 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(C)C)C2)s1 ZINC001492769684 1066943102 /nfs/dbraw/zinc/94/31/02/1066943102.db2.gz GQALSYBJQNXWGY-KRWDZBQOSA-N 0 0 461.035 4.786 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1 ZINC001457933745 1066943286 /nfs/dbraw/zinc/94/32/86/1066943286.db2.gz NQUCSRCSRUCADB-HFMPRLQTSA-N 0 0 452.595 4.640 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492771032 1066943542 /nfs/dbraw/zinc/94/35/42/1066943542.db2.gz IGWXATXHOJOWDD-KRWDZBQOSA-N 0 0 461.433 4.849 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC001457935502 1066943682 /nfs/dbraw/zinc/94/36/82/1066943682.db2.gz CMLPIENRVDQNLK-YJBOKZPZSA-N 0 0 458.356 4.572 20 0 JJADRN CC[C@@H](OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1c(F)cccc1Cl ZINC001457936803 1066943710 /nfs/dbraw/zinc/94/37/10/1066943710.db2.gz BHPZYXLJAHJSSJ-OAHLLOKOSA-N 0 0 454.679 4.532 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CC(C)C)s1 ZINC001492771379 1066943850 /nfs/dbraw/zinc/94/38/50/1066943850.db2.gz OBRGFVAUBCLDRN-UHFFFAOYSA-N 0 0 455.813 4.661 20 0 JJADRN Cc1ccc(F)c(CN(C)C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001448620862 1066943915 /nfs/dbraw/zinc/94/39/15/1066943915.db2.gz LLXWCAZVWRLHRS-HNNXBMFYSA-N 0 0 453.299 4.810 20 0 JJADRN Cc1nc(NC(=O)C[C@H](NC(N)=O)c2cccs2)sc1Cc1cccc(Cl)c1F ZINC001448620394 1066943985 /nfs/dbraw/zinc/94/39/85/1066943985.db2.gz YMTHYLITOLYGTL-ZDUSSCGKSA-N 0 0 452.964 4.635 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001546095244 1066944191 /nfs/dbraw/zinc/94/41/91/1066944191.db2.gz JFRPAFMRLCNEHU-XYURVEJXSA-N 0 0 462.585 4.604 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492771813 1066944310 /nfs/dbraw/zinc/94/43/10/1066944310.db2.gz MOBNVYLIRMFXDL-IRXDYDNUSA-N 0 0 472.684 4.908 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)s1 ZINC001492771693 1066944420 /nfs/dbraw/zinc/94/44/20/1066944420.db2.gz SGDLELHQZPAPRW-TZMCWYRMSA-N 0 0 461.433 4.707 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001448622107 1066944428 /nfs/dbraw/zinc/94/44/28/1066944428.db2.gz VHKAHEPLLNOSGF-JOCHJYFZSA-N 0 0 457.590 4.629 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001457942199 1066944600 /nfs/dbraw/zinc/94/46/00/1066944600.db2.gz TXFBYXAFVQPQPQ-ZDUSSCGKSA-N 0 0 454.283 4.834 20 0 JJADRN Cc1cc(OC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001457941816 1066944637 /nfs/dbraw/zinc/94/46/37/1066944637.db2.gz CSPDSVMIALLQKX-KRWDZBQOSA-N 0 0 452.267 4.852 20 0 JJADRN Cc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)n(C2CCOCC2)n1 ZINC001457942870 1066944725 /nfs/dbraw/zinc/94/47/25/1066944725.db2.gz JEVDXDJTVMUDTL-UHFFFAOYSA-N 0 0 458.484 4.799 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)s1 ZINC001457941584 1066944734 /nfs/dbraw/zinc/94/47/34/1066944734.db2.gz XRUJBQQDJRRKEZ-PRWKNARSSA-N 0 0 453.536 4.770 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@@H](C)CC2)s1 ZINC001492772109 1066944861 /nfs/dbraw/zinc/94/48/61/1066944861.db2.gz YHHFSRVNUIUDGE-GFCCVEGCSA-N 0 0 465.396 4.681 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1cnn(C2CCCC2)c1C ZINC001448624451 1066944880 /nfs/dbraw/zinc/94/48/80/1066944880.db2.gz ZEVDILFAAVAUSW-LJQANCHMSA-N 0 0 456.591 4.636 20 0 JJADRN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001457944473 1066945021 /nfs/dbraw/zinc/94/50/21/1066945021.db2.gz WYTRRKUESAUUHH-GWZHAIQQSA-N 0 0 453.391 4.665 20 0 JJADRN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1c(F)cccc1Cl ZINC001457943639 1066945082 /nfs/dbraw/zinc/94/50/82/1066945082.db2.gz UGVFQOMMOINMBQ-FQEVSTJZSA-N 0 0 452.869 4.978 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(CC)CC1CC1)NC(=O)OC(C)(C)C ZINC001546008346 1066945287 /nfs/dbraw/zinc/94/52/87/1066945287.db2.gz PAUXVFBPVTVMGU-OAQYLSRUSA-N 0 0 466.630 4.821 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C)(C)CC2)s1 ZINC001492773695 1066945668 /nfs/dbraw/zinc/94/56/68/1066945668.db2.gz OYZMFLDYSCPVQP-UHFFFAOYSA-N 0 0 454.644 4.989 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)s1 ZINC001492773770 1066945718 /nfs/dbraw/zinc/94/57/18/1066945718.db2.gz RJVYYGYDXSRMRE-SFHVURJKSA-N 0 0 477.034 4.503 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC001492773825 1066945813 /nfs/dbraw/zinc/94/58/13/1066945813.db2.gz SSJNNWLZDSKZGY-GQWAEJPESA-N 0 0 476.597 4.881 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001457947370 1066945895 /nfs/dbraw/zinc/94/58/95/1066945895.db2.gz HJHQSWDGBUIXQN-DNVCBOLYSA-N 0 0 452.352 4.647 20 0 JJADRN O=C(NC[C@@H](CO)CC1CCOCC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001448636894 1066946007 /nfs/dbraw/zinc/94/60/07/1066946007.db2.gz UCJVKHJDHGJWLJ-HTAPYJJXSA-N 0 0 452.378 4.655 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCOc1ccc(F)c(Cl)c1 ZINC001492775765 1066946151 /nfs/dbraw/zinc/94/61/51/1066946151.db2.gz IHPOVSKKMMEXMS-JWTNVVGKSA-N 0 0 494.011 4.825 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F)NC(=O)OC(C)(C)C ZINC001546008687 1066946712 /nfs/dbraw/zinc/94/67/12/1066946712.db2.gz VJCGATDKCHGYOE-GOSISDBHSA-N 0 0 494.562 4.973 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC001457950527 1066946742 /nfs/dbraw/zinc/94/67/42/1066946742.db2.gz MHWSMOKVJGNXGQ-UHFFFAOYSA-N 0 0 452.599 4.533 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)F)c2ccccc12 ZINC001457950601 1066946814 /nfs/dbraw/zinc/94/68/14/1066946814.db2.gz SCYKEAOFUFQTKK-UHFFFAOYSA-N 0 0 451.429 4.767 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N(c1ccc(F)cc1)C1CCCC1 ZINC001457953071 1066947083 /nfs/dbraw/zinc/94/70/83/1066947083.db2.gz QWHMQPIYQVCNOG-UHFFFAOYSA-N 0 0 450.601 4.580 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC001448665894 1066947227 /nfs/dbraw/zinc/94/72/27/1066947227.db2.gz CRVIOERNUDJBKI-OAHLLOKOSA-N 0 0 459.413 4.943 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001457951325 1066947257 /nfs/dbraw/zinc/94/72/57/1066947257.db2.gz GCWUMYUPYNXIKH-QZTJIDSGSA-N 0 0 456.505 4.879 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CCC[C@H](c2nccn2C)C1 ZINC001448665862 1066947307 /nfs/dbraw/zinc/94/73/07/1066947307.db2.gz CRVIOERNUDJBKI-HNNXBMFYSA-N 0 0 459.413 4.943 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC001457953981 1066947679 /nfs/dbraw/zinc/94/76/79/1066947679.db2.gz LVLOHUBBJJXSJA-FQEVSTJZSA-N 0 0 458.624 4.965 20 0 JJADRN Cc1nnc(N(C)Cc2cc(Br)cs2)n1Cc1c(F)cccc1OC(F)F ZINC001492779948 1066947649 /nfs/dbraw/zinc/94/76/49/1066947649.db2.gz WREYMAUVHPKCAL-UHFFFAOYSA-N 0 0 461.307 4.836 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cnc3ccccc32)c(Br)c1 ZINC001448667227 1066947799 /nfs/dbraw/zinc/94/77/99/1066947799.db2.gz HBJQGDKOSDQGJQ-LJQANCHMSA-N 0 0 456.384 4.705 20 0 JJADRN COC(=O)Nc1cccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1C ZINC001448670000 1066947806 /nfs/dbraw/zinc/94/78/06/1066947806.db2.gz GGRDDUZBDLQKFV-UHFFFAOYSA-N 0 0 457.328 4.991 20 0 JJADRN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1c(F)ccc(I)c1Cl ZINC001457956038 1066947930 /nfs/dbraw/zinc/94/79/30/1066947930.db2.gz PPKHADGSBNHOBY-NSHDSACASA-N 0 0 451.707 4.695 20 0 JJADRN COc1ccccc1N1C[C@H](C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1=O ZINC001457954374 1066947958 /nfs/dbraw/zinc/94/79/58/1066947958.db2.gz ZLNWAVGHJWOFHW-KOSHJBKYSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1nnc(N(C)Cc2ccc3cnccc3c2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492781325 1066947999 /nfs/dbraw/zinc/94/79/99/1066947999.db2.gz ULCWNXKYXYQVSA-UHFFFAOYSA-N 0 0 455.488 4.687 20 0 JJADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001492782290 1066948006 /nfs/dbraw/zinc/94/80/06/1066948006.db2.gz GPQXGOXESBBQQD-GOSISDBHSA-N 0 0 455.809 4.608 20 0 JJADRN CC1(C)OCC(CO)(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CO1 ZINC001448672277 1066948309 /nfs/dbraw/zinc/94/83/09/1066948309.db2.gz DPOXSHDTHGJLIL-UHFFFAOYSA-N 0 0 456.391 4.530 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(OC(F)F)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001492780806 1066948224 /nfs/dbraw/zinc/94/82/24/1066948224.db2.gz BXKXFIWNBKRPDQ-UHFFFAOYSA-N 0 0 467.307 4.827 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546095399 1066948508 /nfs/dbraw/zinc/94/85/08/1066948508.db2.gz MBSYNJQREUKXHU-AJTFRIOCSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492785068 1066948940 /nfs/dbraw/zinc/94/89/40/1066948940.db2.gz CPHKKSJFONKOAN-SIKLNZKXSA-N 0 0 459.516 4.847 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(O)(Cc2ccccc2F)CC1 ZINC001448677680 1066949036 /nfs/dbraw/zinc/94/90/36/1066949036.db2.gz QDITYZAGEPNABY-OAHLLOKOSA-N 0 0 452.339 4.502 20 0 JJADRN CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(OCC(F)F)c(C(F)(F)F)c3)c(=O)[nH]c2C1 ZINC001448675531 1066949084 /nfs/dbraw/zinc/94/90/84/1066949084.db2.gz KUUBBRVCLVYDKC-UHFFFAOYSA-N 0 0 458.383 4.857 20 0 JJADRN CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546008838 1066949183 /nfs/dbraw/zinc/94/91/83/1066949183.db2.gz XQFBQPFTLJNGRU-UNMCSNQZSA-N 0 0 485.673 4.760 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)c1 ZINC001457961233 1066949179 /nfs/dbraw/zinc/94/91/79/1066949179.db2.gz MSFDSUGYQGUPBM-UHFFFAOYSA-N 0 0 451.032 4.557 20 0 JJADRN COc1ccc2c(c1)[nH]nc2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001448677706 1066949564 /nfs/dbraw/zinc/94/95/64/1066949564.db2.gz QJAUGRZRKVYHSS-MOPGFXCFSA-N 0 0 470.957 4.814 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1Nc1ccccc1 ZINC001448679755 1066950093 /nfs/dbraw/zinc/95/00/93/1066950093.db2.gz OQKSMSSLYSAQCX-NRFANRHFSA-N 0 0 450.336 4.728 20 0 JJADRN COC(=O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(S(C)(=O)=O)c1 ZINC001457970709 1066950290 /nfs/dbraw/zinc/95/02/90/1066950290.db2.gz UFUZIEKGMXIZEG-UHFFFAOYSA-N 0 0 458.344 4.651 20 0 JJADRN COCc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC001457972705 1066950297 /nfs/dbraw/zinc/95/02/97/1066950297.db2.gz YFMZUXQONMNSFY-IBGZPJMESA-N 0 0 453.366 4.932 20 0 JJADRN CSc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC001448684081 1066950452 /nfs/dbraw/zinc/95/04/52/1066950452.db2.gz HIQIBAXGTKBGOC-UHFFFAOYSA-N 0 0 454.617 4.799 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1C[C@@H](O)Cc2ccccc21 ZINC001448680311 1066950482 /nfs/dbraw/zinc/95/04/82/1066950482.db2.gz QFMQJNIXKJQSLB-ZDUSSCGKSA-N 0 0 451.114 4.522 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC(OCc4ccccc4F)CC3)cs2)cc1OC ZINC001457977827 1066950539 /nfs/dbraw/zinc/95/05/39/1066950539.db2.gz HUTLZXDYOONTGI-UHFFFAOYSA-N 0 0 456.539 4.788 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2nc(C)cs2)CCO1 ZINC001546095560 1066950622 /nfs/dbraw/zinc/95/06/22/1066950622.db2.gz OZJSEDBLCYQGDE-WNSKOXEYSA-N 0 0 461.582 4.721 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492794832 1066950874 /nfs/dbraw/zinc/95/08/74/1066950874.db2.gz JSDOMTBTUJGZFV-GFCCVEGCSA-N 0 0 466.305 4.935 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492794820 1066950963 /nfs/dbraw/zinc/95/09/63/1066950963.db2.gz JNMSPCHNQOYSSW-CQSZACIVSA-N 0 0 478.435 4.776 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H]1c1cccc(Cl)c1 ZINC001457979815 1066951059 /nfs/dbraw/zinc/95/10/59/1066951059.db2.gz JMGOLQHWUZFXIH-QRWLVFNGSA-N 0 0 458.743 4.809 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H]1c1cccc(Cl)c1 ZINC001457979822 1066951089 /nfs/dbraw/zinc/95/10/89/1066951089.db2.gz JMGOLQHWUZFXIH-YWZLYKJASA-N 0 0 458.743 4.809 20 0 JJADRN O=C(NCc1cccc2[nH]ccc21)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC001457980829 1066951100 /nfs/dbraw/zinc/95/11/00/1066951100.db2.gz JIJIGZOSOFIRCU-UHFFFAOYSA-N 0 0 457.914 4.691 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc(OC)cc1OC ZINC001457980238 1066951129 /nfs/dbraw/zinc/95/11/29/1066951129.db2.gz FCHWSRXLVCBPIP-CQSZACIVSA-N 0 0 451.903 4.745 20 0 JJADRN Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492797685 1066951375 /nfs/dbraw/zinc/95/13/75/1066951375.db2.gz LVYPJORVYDTMFK-UHFFFAOYSA-N 0 0 481.538 4.627 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001492798414 1066951706 /nfs/dbraw/zinc/95/17/06/1066951706.db2.gz GEYRRJZGCSXPNS-BZSNNMDCSA-N 0 0 469.630 4.649 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001492798573 1066951723 /nfs/dbraw/zinc/95/17/23/1066951723.db2.gz IJFHHCMPLRXPEL-OAHLLOKOSA-N 0 0 467.536 4.783 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccsc1Br ZINC001492798392 1066951773 /nfs/dbraw/zinc/95/17/73/1066951773.db2.gz FOCSPPRSSYANPX-ZDUSSCGKSA-N 0 0 484.464 4.588 20 0 JJADRN Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492798627 1066951807 /nfs/dbraw/zinc/95/18/07/1066951807.db2.gz JGCMWQUOPLGZFC-FUHWJXTLSA-N 0 0 455.628 4.783 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 ZINC001492798415 1066951853 /nfs/dbraw/zinc/95/18/53/1066951853.db2.gz GEYRRJZGCSXPNS-FGTMMUONSA-N 0 0 469.630 4.649 20 0 JJADRN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cc(Cl)ccc1OC(F)F ZINC001448689505 1066951801 /nfs/dbraw/zinc/95/18/01/1066951801.db2.gz WKNABAWZOLCWDQ-UHFFFAOYSA-N 0 0 458.646 4.684 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC001457984585 1066951990 /nfs/dbraw/zinc/95/19/90/1066951990.db2.gz PHSWWSHNXJJZGE-HNNXBMFYSA-N 0 0 457.467 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001457985976 1066952417 /nfs/dbraw/zinc/95/24/17/1066952417.db2.gz SGXZUPJPBLXZCV-MRXNPFEDSA-N 0 0 457.398 4.557 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001492799031 1066952557 /nfs/dbraw/zinc/95/25/57/1066952557.db2.gz STYXWZIBWLOYOE-JTQLQIEISA-N 0 0 453.456 4.537 20 0 JJADRN Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001492799341 1066952565 /nfs/dbraw/zinc/95/25/65/1066952565.db2.gz BYNYPUSYFFNRLS-IBGZPJMESA-N 0 0 454.493 4.804 20 0 JJADRN Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001492799434 1066952602 /nfs/dbraw/zinc/95/26/02/1066952602.db2.gz DTQYSHVCDRUFDT-JOCHJYFZSA-N 0 0 490.048 4.589 20 0 JJADRN CC(C)[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@H](O)c1ccccc1 ZINC001448701233 1066952792 /nfs/dbraw/zinc/95/27/92/1066952792.db2.gz XFWSFYGZOJVTCW-NHCUHLMSSA-N 0 0 450.539 4.623 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001448719484 1066953078 /nfs/dbraw/zinc/95/30/78/1066953078.db2.gz FTTOTGCTSZQYHU-BJKOFHAPSA-N 0 0 464.606 4.857 20 0 JJADRN COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448717575 1066953128 /nfs/dbraw/zinc/95/31/28/1066953128.db2.gz BYIDTCPDSYEOQT-UHFFFAOYSA-N 0 0 452.942 4.572 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC(C)(C)c1ccccc1F ZINC001492804368 1066953378 /nfs/dbraw/zinc/95/33/78/1066953378.db2.gz IIAWCURPPIHLGJ-UHFFFAOYSA-N 0 0 459.610 4.787 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2ncon2)C(C)C)cc1OCc1csc(Br)c1 ZINC001448719967 1066953382 /nfs/dbraw/zinc/95/33/82/1066953382.db2.gz ODDDFOPJWLEITH-QGZVFWFLSA-N 0 0 450.358 4.908 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCCO[C@H](C)c1ccccc1 ZINC001492804434 1066953499 /nfs/dbraw/zinc/95/34/99/1066953499.db2.gz YCDMPQYZVUNOBL-HXUWFJFHSA-N 0 0 471.646 4.838 20 0 JJADRN O=C(NCCc1cccc(OCc2ccccc2)c1)[C@@H]1COc2ccc(Br)cc21 ZINC001457991267 1066953835 /nfs/dbraw/zinc/95/38/35/1066953835.db2.gz AHBXIUOOKILGPQ-JOCHJYFZSA-N 0 0 452.348 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccccc3NCc3ccccc3Cl)C[C@H]2C1 ZINC001448728413 1066954442 /nfs/dbraw/zinc/95/44/42/1066954442.db2.gz HZRMHHFXFWZJQY-KDURUIRLSA-N 0 0 455.986 4.891 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001457996547 1066954809 /nfs/dbraw/zinc/95/48/09/1066954809.db2.gz KWNCBHLGUNJNKP-CQSZACIVSA-N 0 0 451.445 4.688 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)n[nH]2)c1C ZINC001448730164 1066954835 /nfs/dbraw/zinc/95/48/35/1066954835.db2.gz ATAJCOUFHIEYIV-LBPRGKRZSA-N 0 0 453.497 4.792 20 0 JJADRN Cc1nnc(N2CCC(OCc3ccccc3F)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001492821315 1066954988 /nfs/dbraw/zinc/95/49/88/1066954988.db2.gz QUYSVDCVKWQZQS-UHFFFAOYSA-N 0 0 483.554 4.576 20 0 JJADRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001448736972 1066955214 /nfs/dbraw/zinc/95/52/14/1066955214.db2.gz SMFTXFCQMIQTQL-PZJWPPBQSA-N 0 0 461.006 4.686 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(-c4ncco4)cc3)ccc2Cl)C1 ZINC001457999886 1066955337 /nfs/dbraw/zinc/95/53/37/1066955337.db2.gz NSKGBZPRWUAAAR-HNNXBMFYSA-N 0 0 459.955 4.668 20 0 JJADRN C[C@@H](NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc(Br)cn1 ZINC001448744126 1066955613 /nfs/dbraw/zinc/95/56/13/1066955613.db2.gz FFGCUJNGGRRDIE-LLVKDONJSA-N 0 0 454.246 4.824 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492836696 1066955825 /nfs/dbraw/zinc/95/58/25/1066955825.db2.gz BBCHHMAERSHOIX-UXLLHSPISA-N 0 0 470.927 4.784 20 0 JJADRN C[C@@](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)(c1ccccc1)C(F)(F)F ZINC001458002134 1066955842 /nfs/dbraw/zinc/95/58/42/1066955842.db2.gz KLKXGDAVSIGXAX-XMMPIXPASA-N 0 0 451.448 4.652 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001448766430 1066956238 /nfs/dbraw/zinc/95/62/38/1066956238.db2.gz DHYJVIQNVZSCET-BCMRRPTOSA-N 0 0 453.246 4.503 20 0 JJADRN CCN(CC)c1ccc(C(=O)N[C@@H](C)CCc2ccc(I)cc2)cc1 ZINC001448764346 1066956258 /nfs/dbraw/zinc/95/62/58/1066956258.db2.gz ASVBRXJHBVEBNH-INIZCTEOSA-N 0 0 450.364 4.889 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001492839024 1066956214 /nfs/dbraw/zinc/95/62/14/1066956214.db2.gz RIAHXJUTJZOYMP-APWZRJJASA-N 0 0 470.593 4.579 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492838670 1066956260 /nfs/dbraw/zinc/95/62/60/1066956260.db2.gz OPVYPOOQAMZTPK-SIKLNZKXSA-N 0 0 498.672 4.871 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H](c1nccs1)c1ccccc1 ZINC001458009727 1066956330 /nfs/dbraw/zinc/95/63/30/1066956330.db2.gz DNMSDJQTORZUOJ-NRFANRHFSA-N 0 0 456.589 4.573 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c(Cl)c1 ZINC001458011604 1066956835 /nfs/dbraw/zinc/95/68/35/1066956835.db2.gz KZNHHUOBQGQOQZ-UHFFFAOYSA-N 0 0 450.926 4.616 20 0 JJADRN Cc1cc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)ccc1Oc1ccncc1 ZINC001448775373 1066957116 /nfs/dbraw/zinc/95/71/16/1066957116.db2.gz IIIVVTMBMFPPQF-JJIBRWJFSA-N 0 0 450.498 4.987 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001492846392 1066957157 /nfs/dbraw/zinc/95/71/57/1066957157.db2.gz GBEGWPJAXNMBPN-QFIPXVFZSA-N 0 0 492.624 4.905 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001448782445 1066957604 /nfs/dbraw/zinc/95/76/04/1066957604.db2.gz AQWQMXGBQJMTPQ-HHHXNRCGSA-N 0 0 459.546 4.970 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847989 1066957678 /nfs/dbraw/zinc/95/76/78/1066957678.db2.gz MGPGNDRLRRGTKE-KRWDZBQOSA-N 0 0 464.492 4.618 20 0 JJADRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1 ZINC001458018626 1066957674 /nfs/dbraw/zinc/95/76/74/1066957674.db2.gz KQXURSKADPSZLQ-KRWDZBQOSA-N 0 0 451.958 4.847 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001458019037 1066957696 /nfs/dbraw/zinc/95/76/96/1066957696.db2.gz JYHXTDKRKDALFP-SFHVURJKSA-N 0 0 458.345 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1cc(Br)cnc1Cl)C2 ZINC001458022961 1066957738 /nfs/dbraw/zinc/95/77/38/1066957738.db2.gz LFZPDMVYEITIRI-IBGZPJMESA-N 0 0 458.784 4.503 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001458021632 1066957753 /nfs/dbraw/zinc/95/77/53/1066957753.db2.gz HTLAAQJAJFTRKQ-YWZLYKJASA-N 0 0 472.916 4.945 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001448796633 1066957958 /nfs/dbraw/zinc/95/79/58/1066957958.db2.gz OABJGSZCMNQGFR-OAHLLOKOSA-N 0 0 450.407 4.627 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)c1n[nH]cc1I ZINC001448790143 1066957991 /nfs/dbraw/zinc/95/79/91/1066957991.db2.gz ZDTYGGBTBFDXDI-UHFFFAOYSA-N 0 0 459.074 4.635 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001492849582 1066957992 /nfs/dbraw/zinc/95/79/92/1066957992.db2.gz UXQAJVQFLWCHPY-IBGZPJMESA-N 0 0 463.573 4.830 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2ccc3c(n2)CCCN3)c1)c1ccc(Br)cc1 ZINC001458027732 1066958107 /nfs/dbraw/zinc/95/81/07/1066958107.db2.gz RUMBHVRCWJTPIM-UHFFFAOYSA-N 0 0 451.324 4.707 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001492849583 1066958140 /nfs/dbraw/zinc/95/81/40/1066958140.db2.gz UXQAJVQFLWCHPY-LJQANCHMSA-N 0 0 463.573 4.830 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492848923 1066958151 /nfs/dbraw/zinc/95/81/51/1066958151.db2.gz QWXVSJBJGAVFEB-LJQANCHMSA-N 0 0 497.562 4.811 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(COC(C)(C)C)on2)CCO1 ZINC001546096092 1066958183 /nfs/dbraw/zinc/95/81/83/1066958183.db2.gz ZTAWKLSXBUPJIO-VWLOTQADSA-N 0 0 488.032 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(OC(C)(C)C)cc1 ZINC001546009639 1066958537 /nfs/dbraw/zinc/95/85/37/1066958537.db2.gz UMZFBZBOPSHKQN-HSZRJFAPSA-N 0 0 452.595 4.885 20 0 JJADRN CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc2c1CCCN2 ZINC001448802709 1066958624 /nfs/dbraw/zinc/95/86/24/1066958624.db2.gz VOGWQTGVGLXFPM-UHFFFAOYSA-N 0 0 455.967 4.776 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2ccccc21 ZINC001492851521 1066958518 /nfs/dbraw/zinc/95/85/18/1066958518.db2.gz FHYLMMAYILXKEL-VQTJNVASSA-N 0 0 475.584 4.788 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001492850015 1066958601 /nfs/dbraw/zinc/95/86/01/1066958601.db2.gz XYJHKOAHVXOJEY-SFHVURJKSA-N 0 0 470.593 4.533 20 0 JJADRN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)C2=O)cc1 ZINC001448819160 1066959342 /nfs/dbraw/zinc/95/93/42/1066959342.db2.gz QHPHNBQZLOWPCI-OAQYLSRUSA-N 0 0 453.464 4.607 20 0 JJADRN CCN(CC(=O)Nc1cnc(CC(C)C)nc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001448813519 1066959373 /nfs/dbraw/zinc/95/93/73/1066959373.db2.gz HGOLLEYQSWZQDI-UHFFFAOYSA-N 0 0 458.562 4.885 20 0 JJADRN O=C(N1CCOc2c(Br)cccc2C1)C1(c2ccccc2Br)CC1 ZINC001448822761 1066959853 /nfs/dbraw/zinc/95/98/53/1066959853.db2.gz DUYDEPNLIDMISC-UHFFFAOYSA-N 0 0 451.158 4.664 20 0 JJADRN CC(C)Cc1ncc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)cn1 ZINC001448824093 1066959864 /nfs/dbraw/zinc/95/98/64/1066959864.db2.gz XHYKYJDLCDENRJ-UHFFFAOYSA-N 0 0 457.328 4.560 20 0 JJADRN C[C@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001458044585 1066959917 /nfs/dbraw/zinc/95/99/17/1066959917.db2.gz UVHGIAUGBKBCGY-INIZCTEOSA-N 0 0 455.498 4.727 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOc2c(Br)cccc2C1 ZINC001448828139 1066960242 /nfs/dbraw/zinc/96/02/42/1066960242.db2.gz NBWKLMQTSRAXAP-UHFFFAOYSA-N 0 0 452.348 4.992 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001458045931 1066960295 /nfs/dbraw/zinc/96/02/95/1066960295.db2.gz ZTAFSJQEEHRSQL-YSGRDPCXSA-N 0 0 451.441 4.736 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001458045998 1066960320 /nfs/dbraw/zinc/96/03/20/1066960320.db2.gz UAIWQIDCTJNQHR-TZIWHRDSSA-N 0 0 453.526 4.505 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001458045919 1066960361 /nfs/dbraw/zinc/96/03/61/1066960361.db2.gz ZRVNKERIFUSNHS-WMZOPIPTSA-N 0 0 455.498 4.719 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)C2([C@@H]3CCCCO3)CCOCC2)CC1 ZINC001458047910 1066960650 /nfs/dbraw/zinc/96/06/50/1066960650.db2.gz VFEDDSGMXMNBBL-FQEVSTJZSA-N 0 0 450.417 4.695 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448832875 1066960776 /nfs/dbraw/zinc/96/07/76/1066960776.db2.gz BOLYCLQXLGHBNT-ZBFHGGJFSA-N 0 0 451.539 4.691 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001492940786 1066960686 /nfs/dbraw/zinc/96/06/86/1066960686.db2.gz CUENDKWMSJVKRD-KRWDZBQOSA-N 0 0 470.307 4.516 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492943940 1066960937 /nfs/dbraw/zinc/96/09/37/1066960937.db2.gz SBJOZMLDESCFJS-GOSISDBHSA-N 0 0 499.349 4.580 20 0 JJADRN CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Br ZINC001458049322 1066961259 /nfs/dbraw/zinc/96/12/59/1066961259.db2.gz OUZMUJJSZXMMCL-LBPRGKRZSA-N 0 0 453.739 4.646 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492944440 1066961365 /nfs/dbraw/zinc/96/13/65/1066961365.db2.gz UIDGXIZDSMZPKP-YWZLYKJASA-N 0 0 498.455 4.974 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001458051764 1066961667 /nfs/dbraw/zinc/96/16/67/1066961667.db2.gz FLSQCVVQZDTWQD-SJCJKPOMSA-N 0 0 458.274 4.944 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)Oc1cc(Br)ccc1Cl ZINC001458052368 1066961720 /nfs/dbraw/zinc/96/17/20/1066961720.db2.gz TVWDAMYGQGPANI-UTCJRWHESA-N 0 0 453.457 4.919 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492949320 1066961660 /nfs/dbraw/zinc/96/16/60/1066961660.db2.gz SRLFUFCNGGJJOY-OIISXLGYSA-N 0 0 482.050 4.525 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC001458052970 1066962044 /nfs/dbraw/zinc/96/20/44/1066962044.db2.gz WMFKTOIMWDFCBJ-KGLIPLIRSA-N 0 0 452.502 4.977 20 0 JJADRN CC(C)c1c(NC(=O)c2cc(Br)cn3ncnc23)cnn1-c1ccccc1Cl ZINC001448842503 1066962631 /nfs/dbraw/zinc/96/26/31/1066962631.db2.gz ZEJXKFUOPFQGNY-UHFFFAOYSA-N 0 0 459.735 4.707 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc12 ZINC001448844110 1066962980 /nfs/dbraw/zinc/96/29/80/1066962980.db2.gz MRONGTMOPAJOSP-NVXWUHKLSA-N 0 0 454.596 4.913 20 0 JJADRN COCCOCc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC001458056093 1066962996 /nfs/dbraw/zinc/96/29/96/1066962996.db2.gz DWGLYOWLEWPJHP-OAQYLSRUSA-N 0 0 455.599 4.765 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](C)C1 ZINC001545696864 1066963121 /nfs/dbraw/zinc/96/31/21/1066963121.db2.gz WTUCGEGWYRLZTR-OALUTQOASA-N 0 0 450.587 4.531 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001545696159 1066963199 /nfs/dbraw/zinc/96/31/99/1066963199.db2.gz LKEYZBGMFRMCCU-MOPGFXCFSA-N 0 0 464.614 4.777 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001448846805 1066963263 /nfs/dbraw/zinc/96/32/63/1066963263.db2.gz LTOHQLIMUIFGSP-UHFFFAOYSA-N 0 0 452.530 4.569 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C)OC ZINC001546009969 1066963275 /nfs/dbraw/zinc/96/32/75/1066963275.db2.gz CBXAZNSEURETKH-JFIYKMOQSA-N 0 0 451.409 4.669 20 0 JJADRN Cn1c(C(=O)N2CCC(Oc3ncccc3F)CC2)ccc1-c1ccc(Br)cc1 ZINC001448846553 1066963467 /nfs/dbraw/zinc/96/34/67/1066963467.db2.gz PHAPFKJMUIJFPM-UHFFFAOYSA-N 0 0 458.331 4.672 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001545697527 1066963407 /nfs/dbraw/zinc/96/34/07/1066963407.db2.gz PKGYKSFTRDGMLM-VGSWGCGISA-N 0 0 452.551 4.664 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001545698138 1066963614 /nfs/dbraw/zinc/96/36/14/1066963614.db2.gz DANPXFAATCCWDK-KRWDZBQOSA-N 0 0 475.584 4.567 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001545697779 1066963633 /nfs/dbraw/zinc/96/36/33/1066963633.db2.gz XBHJEHTUWFJPTE-OAQYLSRUSA-N 0 0 457.546 4.634 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C)OC ZINC001546009970 1066963866 /nfs/dbraw/zinc/96/38/66/1066963866.db2.gz CBXAZNSEURETKH-LZLYRXPVSA-N 0 0 451.409 4.669 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458058307 1066963921 /nfs/dbraw/zinc/96/39/21/1066963921.db2.gz WDTRQLLWETUQHM-QZTJIDSGSA-N 0 0 454.567 4.724 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C)OC ZINC001546009972 1066963959 /nfs/dbraw/zinc/96/39/59/1066963959.db2.gz CBXAZNSEURETKH-XYJFISCASA-N 0 0 451.409 4.669 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(F)cc3NC(C)=O)C2)n1 ZINC001448852788 1066964304 /nfs/dbraw/zinc/96/43/04/1066964304.db2.gz BFGAYIFOAALWBV-MRXNPFEDSA-N 0 0 453.539 4.936 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001448853126 1066964435 /nfs/dbraw/zinc/96/44/35/1066964435.db2.gz RWAMCJYXWGHFFR-OAHLLOKOSA-N 0 0 458.527 4.730 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1nn(-c2ccccc2F)cc1Br ZINC001458059626 1066964428 /nfs/dbraw/zinc/96/44/28/1066964428.db2.gz AYCGAPBMBRKAPP-HNAYVOBHSA-N 0 0 458.331 4.672 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 ZINC001545701770 1066964665 /nfs/dbraw/zinc/96/46/65/1066964665.db2.gz PSUHDPDTPIDHFX-XLIONFOSSA-N 0 0 455.990 4.762 20 0 JJADRN CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001448855298 1066964743 /nfs/dbraw/zinc/96/47/43/1066964743.db2.gz HFWKFCAERFEKLK-NMEJYPJZSA-N 0 0 454.617 4.966 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 ZINC001545701599 1066964772 /nfs/dbraw/zinc/96/47/72/1066964772.db2.gz MUIOQFSRFLLEFP-CQSZACIVSA-N 0 0 470.481 4.632 20 0 JJADRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001458062305 1066964890 /nfs/dbraw/zinc/96/48/90/1066964890.db2.gz OUSYRLCPHNYXJA-ROUUACIJSA-N 0 0 452.551 4.799 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)[C@@H](CO)c3ccc(Cl)cc3)C2)n1 ZINC001448862962 1066965128 /nfs/dbraw/zinc/96/51/28/1066965128.db2.gz WFVGOOVLTPXFKH-XLIONFOSSA-N 0 0 456.995 4.954 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)c2)cc1 ZINC001545702648 1066965195 /nfs/dbraw/zinc/96/51/95/1066965195.db2.gz JTUGKRXFXADAQQ-KRWDZBQOSA-N 0 0 457.530 4.504 20 0 JJADRN CCN(C(=O)Cn1c(C)nc2ccccc2c1=O)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545703037 1066965515 /nfs/dbraw/zinc/96/55/15/1066965515.db2.gz XKGCFKDCGRQRBV-IBGZPJMESA-N 0 0 455.558 4.990 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001545703154 1066965547 /nfs/dbraw/zinc/96/55/47/1066965547.db2.gz AQTTUJPXSLMWHM-FQEVSTJZSA-N 0 0 480.682 4.625 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c2)cc1 ZINC001545703105 1066965558 /nfs/dbraw/zinc/96/55/58/1066965558.db2.gz ZJTYAPDNPFYHNU-MBSDFSHPSA-N 0 0 456.583 4.546 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001545703683 1066965578 /nfs/dbraw/zinc/96/55/78/1066965578.db2.gz KPQTZGIAMOZILI-DNVCBOLYSA-N 0 0 472.684 4.514 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001448867008 1066965586 /nfs/dbraw/zinc/96/55/86/1066965586.db2.gz HEUBUSTWMLTZTG-DUQGCJEPSA-N 0 0 452.599 4.712 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc1Cl ZINC001458066654 1066965710 /nfs/dbraw/zinc/96/57/10/1066965710.db2.gz CANGQVXYDYKXKS-UHFFFAOYSA-N 0 0 458.006 4.686 20 0 JJADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC001458066078 1066965761 /nfs/dbraw/zinc/96/57/61/1066965761.db2.gz COGHMYJXUNXQRL-GFCCVEGCSA-N 0 0 458.486 4.545 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1CC)Oc1ccccc1F ZINC001546010219 1066966012 /nfs/dbraw/zinc/96/60/12/1066966012.db2.gz IHGDNKFITQNPGZ-GGPKGHCWSA-N 0 0 485.629 4.891 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001545704249 1066966037 /nfs/dbraw/zinc/96/60/37/1066966037.db2.gz VGHIRZBIJAWRQA-OAQYLSRUSA-N 0 0 466.674 4.705 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001545704369 1066966114 /nfs/dbraw/zinc/96/61/14/1066966114.db2.gz XSWGLPOEWWKRPR-UGKGYDQZSA-N 0 0 451.640 4.885 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001458067617 1066966183 /nfs/dbraw/zinc/96/61/83/1066966183.db2.gz KUYSALWWIHSSPX-KBXCAEBGSA-N 0 0 459.400 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC001448881843 1066966439 /nfs/dbraw/zinc/96/64/39/1066966439.db2.gz GAYKKKRSRNBKHC-CJNGLKHVSA-N 0 0 455.418 4.749 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458069930 1066966486 /nfs/dbraw/zinc/96/64/86/1066966486.db2.gz BDFSUXRPEOFPOJ-RPBOFIJWSA-N 0 0 453.546 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC001448881846 1066966657 /nfs/dbraw/zinc/96/66/57/1066966657.db2.gz GAYKKKRSRNBKHC-CZUORRHYSA-N 0 0 455.418 4.749 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1 ZINC001448884127 1066966737 /nfs/dbraw/zinc/96/67/37/1066966737.db2.gz DDOPMMVYUHLRHC-CUWPLCDZSA-N 0 0 459.384 4.673 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001545705502 1066966882 /nfs/dbraw/zinc/96/68/82/1066966882.db2.gz BJTHGESTSGANLS-RBBKRZOGSA-N 0 0 473.687 4.501 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001545705818 1066967146 /nfs/dbraw/zinc/96/71/46/1066967146.db2.gz GQSZOZUXAWGGGR-IRXDYDNUSA-N 0 0 480.078 4.532 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCCCC2)C1 ZINC001545705790 1066967202 /nfs/dbraw/zinc/96/72/02/1066967202.db2.gz GHAZICUCENAEID-NRFANRHFSA-N 0 0 485.698 4.723 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CCO1 ZINC001448893036 1066967524 /nfs/dbraw/zinc/96/75/24/1066967524.db2.gz NDTZHVRXAMDXMW-FQEVSTJZSA-N 0 0 459.384 4.517 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(C)cs1 ZINC001545706193 1066967493 /nfs/dbraw/zinc/96/74/93/1066967493.db2.gz NLYAMIZHFYRQPE-LJQANCHMSA-N 0 0 464.639 4.592 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001545706206 1066967541 /nfs/dbraw/zinc/96/75/41/1066967541.db2.gz NUKCSTMUEVJJMR-QTJGBDASSA-N 0 0 451.659 4.917 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001545706234 1066967582 /nfs/dbraw/zinc/96/75/82/1066967582.db2.gz OCDDCIMVWZNEEA-MZKRTTBSSA-N 0 0 467.658 4.838 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458074170 1066967537 /nfs/dbraw/zinc/96/75/37/1066967537.db2.gz GYWOJBDOTZUZHK-PKOBYXMFSA-N 0 0 452.864 4.937 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)n1 ZINC001448890910 1066967626 /nfs/dbraw/zinc/96/76/26/1066967626.db2.gz ULJXPVZFNSYKDO-OAHLLOKOSA-N 0 0 453.178 4.632 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CCO1 ZINC001448893043 1066967653 /nfs/dbraw/zinc/96/76/53/1066967653.db2.gz NDTZHVRXAMDXMW-HXUWFJFHSA-N 0 0 459.384 4.517 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cc2)C1 ZINC001458073562 1066967638 /nfs/dbraw/zinc/96/76/38/1066967638.db2.gz DSTIQEAXHIKQBX-SFHVURJKSA-N 0 0 459.011 4.690 20 0 JJADRN CCCO[C@H](C(=O)Oc1cccc(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(F)cc1C ZINC001458073632 1066967692 /nfs/dbraw/zinc/96/76/92/1066967692.db2.gz SNIQANXLGOTVRF-QHCPKHFHSA-N 0 0 452.482 4.754 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001545706347 1066967830 /nfs/dbraw/zinc/96/78/30/1066967830.db2.gz PQVBHRONZFQJLB-SFTDATJTSA-N 0 0 485.673 4.597 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001545706335 1066967852 /nfs/dbraw/zinc/96/78/52/1066967852.db2.gz PMKJUGYLCBUBCD-UGKGYDQZSA-N 0 0 465.598 4.713 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001545706346 1066967917 /nfs/dbraw/zinc/96/79/17/1066967917.db2.gz PQVBHRONZFQJLB-RTWAWAEBSA-N 0 0 485.673 4.597 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001545706357 1066967995 /nfs/dbraw/zinc/96/79/95/1066967995.db2.gz PVNAJTVJOWSUPJ-ZACQAIPSSA-N 0 0 482.456 4.951 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(C)(C)C ZINC001545706678 1066968262 /nfs/dbraw/zinc/96/82/62/1066968262.db2.gz WOFJCPNWFMDSAR-IBGZPJMESA-N 0 0 457.663 4.942 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001545706775 1066968272 /nfs/dbraw/zinc/96/82/72/1066968272.db2.gz YGGVQKJMCZRIBS-HBMCJLEFSA-N 0 0 469.674 4.942 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001448901910 1066968375 /nfs/dbraw/zinc/96/83/75/1066968375.db2.gz DJQCAXZPRIALGO-WDSOQIARSA-N 0 0 455.382 4.656 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)CCCCC1 ZINC001448905599 1066968831 /nfs/dbraw/zinc/96/88/31/1066968831.db2.gz OVRQOHZIIYQTFA-FCHUYYIVSA-N 0 0 452.599 4.710 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(F)c1 ZINC001458078550 1066968901 /nfs/dbraw/zinc/96/89/01/1066968901.db2.gz ZPZLOJNVCXBVSH-FQEVSTJZSA-N 0 0 455.873 4.767 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(Br)cc(OC(C)C)c1)c1ccc(Cl)c(F)c1 ZINC001458078542 1066968910 /nfs/dbraw/zinc/96/89/10/1066968910.db2.gz ZKXQNHLOETYZBK-KRWDZBQOSA-N 0 0 458.711 4.673 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)n[nH]2)cc1OC ZINC001448904751 1066968962 /nfs/dbraw/zinc/96/89/62/1066968962.db2.gz ITEABHCFRVPXJG-UHFFFAOYSA-N 0 0 457.355 4.966 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001545708244 1066968990 /nfs/dbraw/zinc/96/89/90/1066968990.db2.gz FQYGGZFTUSHQSQ-RBUKOAKNSA-N 0 0 473.687 4.756 20 0 JJADRN CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001448912632 1066969189 /nfs/dbraw/zinc/96/91/89/1066969189.db2.gz UOWRNDSJDQTMJL-HSZRJFAPSA-N 0 0 459.384 4.715 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001545709009 1066969432 /nfs/dbraw/zinc/96/94/32/1066969432.db2.gz UEERQIVAKUBYGM-XKGFGPFHSA-N 0 0 461.676 4.760 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001545709006 1066969468 /nfs/dbraw/zinc/96/94/68/1066969468.db2.gz UEERQIVAKUBYGM-BMQTXXJKSA-N 0 0 461.676 4.760 20 0 JJADRN Fc1ccc(-c2nnc(Sc3ncc(Br)cc3F)n2C[C@H]2CCCO2)cc1 ZINC001458081027 1066969620 /nfs/dbraw/zinc/96/96/20/1066969620.db2.gz YSXKOPBTWXDKQK-CQSZACIVSA-N 0 0 453.312 4.711 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC001545710046 1066969898 /nfs/dbraw/zinc/96/98/98/1066969898.db2.gz QYJFZZWPBUZUEB-CABCVRRESA-N 0 0 452.395 4.690 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(CN2CCCC2=O)cc1 ZINC001458081914 1066970084 /nfs/dbraw/zinc/97/00/84/1066970084.db2.gz TVALCHOWAASNPE-UHFFFAOYSA-N 0 0 452.383 4.592 20 0 JJADRN CCc1c(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)cnn1-c1cccc(Cl)c1 ZINC001448920275 1066970202 /nfs/dbraw/zinc/97/02/02/1066970202.db2.gz JABXCLKJJWZYEK-UHFFFAOYSA-N 0 0 452.971 4.582 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)cc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001545711958 1066970214 /nfs/dbraw/zinc/97/02/14/1066970214.db2.gz HAJLXGYOVAHXDH-ORQKMDSUSA-N 0 0 455.476 4.935 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001545712420 1066970605 /nfs/dbraw/zinc/97/06/05/1066970605.db2.gz WPNZBHCDIJLKQD-QGZVFWFLSA-N 0 0 458.327 4.962 20 0 JJADRN Cc1cc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C2CC2)ccc1F ZINC001458084032 1066970606 /nfs/dbraw/zinc/97/06/06/1066970606.db2.gz NPJLBOXZPUGFJJ-PKTZIBPZSA-N 0 0 451.542 4.678 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C2CC2)ccc1F ZINC001458086475 1066970875 /nfs/dbraw/zinc/97/08/75/1066970875.db2.gz XUDXQDFZLGXMKS-NRFANRHFSA-N 0 0 459.443 4.888 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001545716561 1066970930 /nfs/dbraw/zinc/97/09/30/1066970930.db2.gz UDNFXVFUIAYPGT-DQEYMECFSA-N 0 0 456.542 4.612 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N3Cc4cc(Br)ccc4C[C@H]3C)n2)ccc1F ZINC001458088459 1066970912 /nfs/dbraw/zinc/97/09/12/1066970912.db2.gz IYMVMTNJQSGYGY-CQSZACIVSA-N 0 0 458.331 4.853 20 0 JJADRN Cc1cnc(CC(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)s1 ZINC001448930025 1066971145 /nfs/dbraw/zinc/97/11/45/1066971145.db2.gz GUEKHDRCOKRSFP-KRWDZBQOSA-N 0 0 455.443 4.560 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC001545716681 1066971355 /nfs/dbraw/zinc/97/13/55/1066971355.db2.gz WYAQBLBZHOOULD-NRFANRHFSA-N 0 0 450.539 4.686 20 0 JJADRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(Br)cc(C=O)c2)cc1 ZINC001448933253 1066971439 /nfs/dbraw/zinc/97/14/39/1066971439.db2.gz DXEQCPRQJVKUEU-UHFFFAOYSA-N 0 0 453.336 4.550 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc(Cl)cc(F)c1Br ZINC001448930840 1066971518 /nfs/dbraw/zinc/97/15/18/1066971518.db2.gz BDACTGURIQIJAL-GFCCVEGCSA-N 0 0 456.617 4.604 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)cc1 ZINC001448929990 1066971563 /nfs/dbraw/zinc/97/15/63/1066971563.db2.gz ICGYDSBZDOQERZ-XMSQKQJNSA-N 0 0 454.357 4.956 20 0 JJADRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(Br)ncc2Br)c1 ZINC001458091511 1066971755 /nfs/dbraw/zinc/97/17/55/1066971755.db2.gz JICKPGFLMUNDFI-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1 ZINC001545716802 1066971743 /nfs/dbraw/zinc/97/17/43/1066971743.db2.gz ZTGWMHBZXQUDFB-CLJLJLNGSA-N 0 0 458.558 4.605 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545716883 1066971901 /nfs/dbraw/zinc/97/19/01/1066971901.db2.gz BRNIJUOPKJYNAJ-NQIIRXRSSA-N 0 0 482.641 4.905 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CCSC)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545717496 1066972100 /nfs/dbraw/zinc/97/21/00/1066972100.db2.gz MJRDUJSTUBAZEJ-AZUAARDMSA-N 0 0 455.676 4.793 20 0 JJADRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC001458091944 1066972164 /nfs/dbraw/zinc/97/21/64/1066972164.db2.gz KCRNCONAZDDXAD-JTQLQIEISA-N 0 0 453.130 4.527 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(SC)c4)C3)ccc2s1 ZINC001458092737 1066972612 /nfs/dbraw/zinc/97/26/12/1066972612.db2.gz HNPHKUIAPLPWPB-OAHLLOKOSA-N 0 0 454.573 4.792 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545719067 1066972696 /nfs/dbraw/zinc/97/26/96/1066972696.db2.gz AHOVADYPDUVYOM-ZDNNSTLQSA-N 0 0 455.622 4.842 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458093600 1066972850 /nfs/dbraw/zinc/97/28/50/1066972850.db2.gz KKAKCZNGKJRUQC-ATZDWAIDSA-N 0 0 462.562 4.666 20 0 JJADRN O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961354 1066973075 /nfs/dbraw/zinc/97/30/75/1066973075.db2.gz BYZAEFFDEQKJAR-AVRDEDQJSA-N 0 0 456.514 4.832 20 0 JJADRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961370 1066973204 /nfs/dbraw/zinc/97/32/04/1066973204.db2.gz BYZAEFFDEQKJAR-XMSQKQJNSA-N 0 0 456.514 4.832 20 0 JJADRN CC(C)Cc1ncnc(Nc2ccc(OCC(F)(F)F)cc2)c1I ZINC001458093813 1066973269 /nfs/dbraw/zinc/97/32/69/1066973269.db2.gz QTNURQDNUOBWEQ-UHFFFAOYSA-N 0 0 451.230 4.964 20 0 JJADRN O=C(Nc1ccc(SC2CCCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001458094509 1066973337 /nfs/dbraw/zinc/97/33/37/1066973337.db2.gz ABTFIXXVLHDMNS-LJQANCHMSA-N 0 0 450.651 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)cn2)C1 ZINC001448962620 1066973585 /nfs/dbraw/zinc/97/35/85/1066973585.db2.gz GRFRQPILLXXNTE-QIJUGHKUSA-N 0 0 456.562 4.660 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC001545719686 1066973582 /nfs/dbraw/zinc/97/35/82/1066973582.db2.gz KUPVHPRSOYYLOA-LEWJYISDSA-N 0 0 459.516 4.702 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC001545719687 1066973691 /nfs/dbraw/zinc/97/36/91/1066973691.db2.gz KUPVHPRSOYYLOA-NHCUHLMSSA-N 0 0 459.516 4.702 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCSC1 ZINC001448961469 1066973701 /nfs/dbraw/zinc/97/37/01/1066973701.db2.gz JRTHIWZSWMCFCV-UUOWRZLLSA-N 0 0 452.620 4.809 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N(CCO)Cc1ccc(Br)s1 ZINC001448965589 1066974125 /nfs/dbraw/zinc/97/41/25/1066974125.db2.gz FLZAHDGYNLCZNL-UHFFFAOYSA-N 0 0 452.345 4.863 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCOC(C)(C)C)c1ccccc1 ZINC001545720257 1066974292 /nfs/dbraw/zinc/97/42/92/1066974292.db2.gz UBXVYSLUOTZFMQ-IRLDBZIGSA-N 0 0 450.631 4.882 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545720250 1066974309 /nfs/dbraw/zinc/97/43/09/1066974309.db2.gz TXAMOYHMJBXICH-FQEVSTJZSA-N 0 0 471.646 4.596 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4cc(C)ccc43)ccc2C)cc1 ZINC001448972784 1066974556 /nfs/dbraw/zinc/97/45/56/1066974556.db2.gz MHKXPHGHXXJYSN-UHFFFAOYSA-N 0 0 450.560 4.706 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(SCc3ccccc3)ncn2)CC1 ZINC001458099875 1066974944 /nfs/dbraw/zinc/97/49/44/1066974944.db2.gz DQKQSHOHRRMVGR-UHFFFAOYSA-N 0 0 458.509 4.750 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545720395 1066974968 /nfs/dbraw/zinc/97/49/68/1066974968.db2.gz WHKOHCKGPICYRF-HLJULPHDSA-N 0 0 481.685 4.645 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001448977608 1066975037 /nfs/dbraw/zinc/97/50/37/1066975037.db2.gz UJZYALXLJGQYNA-IRXDYDNUSA-N 0 0 459.413 4.902 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2ccc(Oc3ccccc3Cl)cc2)cc(OC)c1 ZINC001545720970 1066975255 /nfs/dbraw/zinc/97/52/55/1066975255.db2.gz LAIBWSDZGDYURN-GOSISDBHSA-N 0 0 455.938 4.731 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001545720734 1066975292 /nfs/dbraw/zinc/97/52/92/1066975292.db2.gz CPCGMHYAYSAQNM-UHFFFAOYSA-N 0 0 452.576 4.741 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CCCCC2)ccc1Br ZINC001448987803 1066975390 /nfs/dbraw/zinc/97/53/90/1066975390.db2.gz SOEAYVYWMCCKMC-MRXNPFEDSA-N 0 0 453.421 4.989 20 0 JJADRN C[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001448982830 1066975503 /nfs/dbraw/zinc/97/55/03/1066975503.db2.gz UZCRVNFZEOWGQW-DNVCBOLYSA-N 0 0 450.457 4.810 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545721435 1066975686 /nfs/dbraw/zinc/97/56/86/1066975686.db2.gz ABPUKAIPCVIVKS-JOCHJYFZSA-N 0 0 461.614 4.832 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458101982 1066975748 /nfs/dbraw/zinc/97/57/48/1066975748.db2.gz GDZBNRKMXBBOOP-UUOWRZLLSA-N 0 0 453.970 4.889 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545721641 1066976020 /nfs/dbraw/zinc/97/60/20/1066976020.db2.gz DIPTVAKALUUOEK-GMWXTNTRSA-N 0 0 482.698 4.917 20 0 JJADRN CC(C)(CO)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC001448995332 1066976161 /nfs/dbraw/zinc/97/61/61/1066976161.db2.gz GEQCUNROTDSLSF-HXUWFJFHSA-N 0 0 450.539 4.625 20 0 JJADRN CC(C)(CO)[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC001448993663 1066976196 /nfs/dbraw/zinc/97/61/96/1066976196.db2.gz CZMFSGITTOWDHR-SFHVURJKSA-N 0 0 455.190 4.630 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)c2cc3c(cncc3Br)s2)n(-c2ccccc2)n1 ZINC001458103401 1066976512 /nfs/dbraw/zinc/97/65/12/1066976512.db2.gz FFQJIHNDOQFZEE-ZDUSSCGKSA-N 0 0 455.381 4.914 20 0 JJADRN C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458103019 1066976655 /nfs/dbraw/zinc/97/66/55/1066976655.db2.gz JXCWIVZFVYBSSY-HXOBKFHXSA-N 0 0 455.580 4.562 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC001449006547 1066976592 /nfs/dbraw/zinc/97/65/92/1066976592.db2.gz VWNZKGBPVQHJHG-UHFFFAOYSA-N 0 0 450.543 4.558 20 0 JJADRN COc1cc2c(cc1CNC(=O)C[C@@H]1c3ccccc3CN1C(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC001458104921 1066977074 /nfs/dbraw/zinc/97/70/74/1066977074.db2.gz OCIMMVUBZOVKCO-HRAATJIYSA-N 0 0 452.551 4.517 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)CC1CC1 ZINC001449009167 1066977004 /nfs/dbraw/zinc/97/70/04/1066977004.db2.gz IWIXHEPVLIZOLF-MAUKXSAKSA-N 0 0 455.368 4.598 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001545722052 1066977270 /nfs/dbraw/zinc/97/72/70/1066977270.db2.gz MIFOSKQENXBCMZ-VQIMIIECSA-N 0 0 479.071 4.606 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1c(C)nn(C)c1C)c1ccccc1 ZINC001545722112 1066977397 /nfs/dbraw/zinc/97/73/97/1066977397.db2.gz NYJKLJWNSXBFEC-QFIPXVFZSA-N 0 0 464.017 4.903 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545722397 1066977756 /nfs/dbraw/zinc/97/77/56/1066977756.db2.gz TWIXVSRBWOGEME-HSZRJFAPSA-N 0 0 461.635 4.882 20 0 JJADRN COc1cc2c(cc1CNC(=O)CCCSc1ccc(Br)cc1)O[C@@H](C)C2 ZINC001458108019 1066977826 /nfs/dbraw/zinc/97/78/26/1066977826.db2.gz UETQMBZFXCHYGM-AWEZNQCLSA-N 0 0 450.398 4.970 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H]1CC[C@H](O)C1)Nc1cc(Cl)cc(Cl)c1 ZINC001449024693 1066977894 /nfs/dbraw/zinc/97/78/94/1066977894.db2.gz VLWNJQILFDFSMR-GUYCJALGSA-N 0 0 453.391 4.615 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)Cc2ccc(OCc3ccccn3)cc2)C(F)(F)F)cc1 ZINC001458109245 1066978060 /nfs/dbraw/zinc/97/80/60/1066978060.db2.gz VZLKGNHIKNCXFD-JOCHJYFZSA-N 0 0 459.420 4.837 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001449034531 1066978155 /nfs/dbraw/zinc/97/81/55/1066978155.db2.gz ZCAXNIXWABSGJZ-HNNXBMFYSA-N 0 0 450.391 4.545 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC001449030315 1066978318 /nfs/dbraw/zinc/97/83/18/1066978318.db2.gz QPJYEAXIYZUJMA-FUHWJXTLSA-N 0 0 456.414 4.772 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458109401 1066978287 /nfs/dbraw/zinc/97/82/87/1066978287.db2.gz WMZGHMQTILMVOC-FZKQIMNGSA-N 0 0 453.764 4.553 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1C[C@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC001545722474 1066978410 /nfs/dbraw/zinc/97/84/10/1066978410.db2.gz VGLBTEGMJAKJLD-MZYLBHOOSA-N 0 0 454.640 4.878 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001449036927 1066978358 /nfs/dbraw/zinc/97/83/58/1066978358.db2.gz YUNRDPYRQVUUFS-MJGOQNOKSA-N 0 0 451.350 4.884 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cccs2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545722571 1066978423 /nfs/dbraw/zinc/97/84/23/1066978423.db2.gz WPFBNOMFMGCBFC-HSZRJFAPSA-N 0 0 451.640 4.776 20 0 JJADRN CC[C@H](C)C(=O)Nc1cccc(CNc2ncnc3c2c(Br)nn3C(C)(C)C)c1 ZINC001458109664 1066978519 /nfs/dbraw/zinc/97/85/19/1066978519.db2.gz TWXGSRGXGOQGNJ-ZDUSSCGKSA-N 0 0 459.392 4.941 20 0 JJADRN COc1ccc2cc(C(=O)N[C@H]3CCCN(c4ccc(Cl)cc4Cl)C3=O)c(C)nc2c1 ZINC001449038853 1066978605 /nfs/dbraw/zinc/97/86/05/1066978605.db2.gz AZDMKPKFOSLCIF-IBGZPJMESA-N 0 0 458.345 4.784 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545722735 1066978842 /nfs/dbraw/zinc/97/88/42/1066978842.db2.gz ZZAVWNAZKGINER-NRFANRHFSA-N 0 0 466.655 4.624 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001458113044 1066979538 /nfs/dbraw/zinc/97/95/38/1066979538.db2.gz VYOXDSUJOVZRGH-CQSZACIVSA-N 0 0 450.938 4.754 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001449049603 1066979771 /nfs/dbraw/zinc/97/97/71/1066979771.db2.gz WBRLBHOOYYNDNB-VYDXJSESSA-N 0 0 457.796 4.849 20 0 JJADRN CC(C)Oc1cccc([C@H](C)Nc2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001458113825 1066979858 /nfs/dbraw/zinc/97/98/58/1066979858.db2.gz OZPWYFUCCMZGNK-INIZCTEOSA-N 0 0 452.559 4.578 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1ccccc1 ZINC001458113286 1066979933 /nfs/dbraw/zinc/97/99/33/1066979933.db2.gz YBHYFOZDDQWUHP-HSZRJFAPSA-N 0 0 457.979 4.994 20 0 JJADRN 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CC[C@H](c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545724617 1066981265 /nfs/dbraw/zinc/98/12/65/1066981265.db2.gz UAIRQPJGNCOHCM-INIZCTEOSA-N 0 0 485.505 4.902 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3cnn(-c4ccccc4)c3C)cc2)c(C)c1Br ZINC001458120818 1066981433 /nfs/dbraw/zinc/98/14/33/1066981433.db2.gz HETSLUYTFDXEMY-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1)c1ccc(Oc2cccnc2)cc1 ZINC001449084410 1066981680 /nfs/dbraw/zinc/98/16/80/1066981680.db2.gz IXQBUSKVPJASFF-CQSZACIVSA-N 0 0 456.424 4.983 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)n2)cc1F ZINC001545725409 1066981828 /nfs/dbraw/zinc/98/18/28/1066981828.db2.gz SJXWZZCHDDVPLD-MRXNPFEDSA-N 0 0 459.481 4.631 20 0 JJADRN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001449090879 1066981921 /nfs/dbraw/zinc/98/19/21/1066981921.db2.gz TURSPHNTTYSOGJ-OCCSQVGLSA-N 0 0 451.589 4.784 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001458122943 1066982058 /nfs/dbraw/zinc/98/20/58/1066982058.db2.gz DMAZOFCJCKRXDI-HSZRJFAPSA-N 0 0 456.652 4.901 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)/C(F)=C\c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001545725450 1066982262 /nfs/dbraw/zinc/98/22/62/1066982262.db2.gz UMBPYIHXEGJQSZ-CIAFOILYSA-N 0 0 452.448 4.772 20 0 JJADRN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001449103087 1066982366 /nfs/dbraw/zinc/98/23/66/1066982366.db2.gz BRYPMRPWVMVDIO-KRWDZBQOSA-N 0 0 452.782 4.904 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)cc1OC ZINC001458125039 1066982755 /nfs/dbraw/zinc/98/27/55/1066982755.db2.gz ULHLEEDRHAZIJI-UHFFFAOYSA-N 0 0 456.322 4.985 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)F)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545726263 1066982758 /nfs/dbraw/zinc/98/27/58/1066982758.db2.gz MAZQYOZTOCGOAG-LJQANCHMSA-N 0 0 463.573 4.778 20 0 JJADRN CC(C)SCCNC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449104823 1066983035 /nfs/dbraw/zinc/98/30/35/1066983035.db2.gz GTKFTUVWNXBEOC-UHFFFAOYSA-N 0 0 452.620 4.905 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC(F)F)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545726262 1066983002 /nfs/dbraw/zinc/98/30/02/1066983002.db2.gz MAZQYOZTOCGOAG-IBGZPJMESA-N 0 0 463.573 4.778 20 0 JJADRN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458126042 1066983064 /nfs/dbraw/zinc/98/30/64/1066983064.db2.gz WEIJJQCTUBJHKN-UONOGXRCSA-N 0 0 457.543 4.624 20 0 JJADRN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458126045 1066983077 /nfs/dbraw/zinc/98/30/77/1066983077.db2.gz WEIJJQCTUBJHKN-ZIAGYGMSSA-N 0 0 457.543 4.624 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546097218 1066983141 /nfs/dbraw/zinc/98/31/41/1066983141.db2.gz FKPFVORTNFTXSU-SANMLTNESA-N 0 0 483.682 4.880 20 0 JJADRN CN(C)c1cccc(CCC(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)c1 ZINC001449113138 1066983425 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DAUQDDXYZPMFCX-GOSISDBHSA-N 0 0 455.368 4.571 20 0 JJADRN Cc1c2nnc(C(F)(F)F)n2nc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1C ZINC001458130587 1066984256 /nfs/dbraw/zinc/98/42/56/1066984256.db2.gz PPMAQTNCJOQGIM-UHFFFAOYSA-N 0 0 455.366 4.577 20 0 JJADRN O=C(Nc1ccccc1CCC(F)(F)F)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC001545727272 1066984349 /nfs/dbraw/zinc/98/43/49/1066984349.db2.gz KBPCNCMTKPCKFW-OALUTQOASA-N 0 0 457.452 4.712 20 0 JJADRN Cn1c(C(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc2cc(C(F)(F)F)ccc21 ZINC001449128904 1066984715 /nfs/dbraw/zinc/98/47/15/1066984715.db2.gz IYIIYLPPKAAKIE-SFHVURJKSA-N 0 0 451.489 4.861 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)NCC1(C(F)(F)F)CC1)c1cccc(Br)c1 ZINC001449131555 1066984726 /nfs/dbraw/zinc/98/47/26/1066984726.db2.gz LRXCMSIPNYHZMR-UHFFFAOYSA-N 0 0 459.237 4.913 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001546011721 1066984962 /nfs/dbraw/zinc/98/49/62/1066984962.db2.gz PUHSTYBIUNZCKU-QGZVFWFLSA-N 0 0 459.612 4.505 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545728029 1066985022 /nfs/dbraw/zinc/98/50/22/1066985022.db2.gz DTSDSYPWFWXHNF-JOCHJYFZSA-N 0 0 463.655 4.896 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC001458134333 1066985142 /nfs/dbraw/zinc/98/51/42/1066985142.db2.gz NLQSTRPEACHIBH-UHFFFAOYSA-N 0 0 453.502 4.728 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1csc(C)c1)c1ccccc1 ZINC001545728149 1066985090 /nfs/dbraw/zinc/98/50/90/1066985090.db2.gz GXXCJYWIEQQFHL-WDJPJFJCSA-N 0 0 495.693 4.606 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545727927 1066985231 /nfs/dbraw/zinc/98/52/31/1066985231.db2.gz CATPVTPREJZADK-UNWVZKJWSA-N 0 0 486.707 4.774 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cccs2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728179 1066985260 /nfs/dbraw/zinc/98/52/60/1066985260.db2.gz HFVQEGSCMUUGAY-FCHUYYIVSA-N 0 0 472.680 4.875 20 0 JJADRN O=C(/C=C\C1CCCCCC1)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001449149576 1066985372 /nfs/dbraw/zinc/98/53/72/1066985372.db2.gz HOEBCYGTFANPBK-SFPUGHMZSA-N 0 0 459.634 4.715 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CC(CC)(CC)SC)c1ccccc1 ZINC001545728257 1066985536 /nfs/dbraw/zinc/98/55/36/1066985536.db2.gz IQOUAIFBTGOFFZ-VSKRKVRLSA-N 0 0 469.699 4.989 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc(NC2CC2)n1 ZINC001449155200 1066985752 /nfs/dbraw/zinc/98/57/52/1066985752.db2.gz UQZVPKBIZXPABG-FQEVSTJZSA-N 0 0 457.416 4.742 20 0 JJADRN CC[C@H](c1nnc(N(CC)C(C)C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545728501 1066986031 /nfs/dbraw/zinc/98/60/31/1066986031.db2.gz MLXZYVNJDSBOAV-FQEVSTJZSA-N 0 0 450.574 4.886 20 0 JJADRN C[C@@H](COc1ccc(F)cc1F)Nc1nc(C(F)(F)F)ccc1I ZINC001458139477 1066985899 /nfs/dbraw/zinc/98/58/99/1066985899.db2.gz XOZBMQMTOWGENI-QMMMGPOBSA-N 0 0 458.168 4.863 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001458137933 1066985942 /nfs/dbraw/zinc/98/59/42/1066985942.db2.gz YGWZRUJGSFNNOJ-QFIPXVFZSA-N 0 0 451.910 4.964 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1(C)CCCC1)c1ccccc1 ZINC001545728757 1066986419 /nfs/dbraw/zinc/98/64/19/1066986419.db2.gz QUYFUAFJSPXMDV-QPTUXGOLSA-N 0 0 481.685 4.768 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC001449163757 1066986545 /nfs/dbraw/zinc/98/65/45/1066986545.db2.gz PQUFEUPNDIYHKG-RTWAWAEBSA-N 0 0 454.592 4.656 20 0 JJADRN Cc1c(NC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)cnn1-c1cc(C)ccc1C ZINC001458142820 1066986693 /nfs/dbraw/zinc/98/66/93/1066986693.db2.gz OOBBOLBBZMTYQY-JOCHJYFZSA-N 0 0 450.539 4.864 20 0 JJADRN COc1cc(C)cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1O ZINC001546011853 1066986947 /nfs/dbraw/zinc/98/69/47/1066986947.db2.gz VEQXXFDUZAHQGC-XMMPIXPASA-N 0 0 450.966 4.910 20 0 JJADRN C[C@@H](NC(=O)CCc1ccc2ccccc2n1)c1nc(-c2ccc(Br)cc2)no1 ZINC001545729747 1066987103 /nfs/dbraw/zinc/98/71/03/1066987103.db2.gz KHCORHLDQNNXCN-CQSZACIVSA-N 0 0 451.324 4.857 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC001545729959 1066987169 /nfs/dbraw/zinc/98/71/69/1066987169.db2.gz NVJSAXKDOXFFDS-NSHDSACASA-N 0 0 456.275 4.519 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC001545730036 1066987208 /nfs/dbraw/zinc/98/72/08/1066987208.db2.gz PPSMHUABXMUZGB-IEBWSBKVSA-N 0 0 454.542 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC001458144552 1066987180 /nfs/dbraw/zinc/98/71/80/1066987180.db2.gz SMLHZRNSHHGYMK-CQSZACIVSA-N 0 0 452.477 4.948 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC001545730445 1066987551 /nfs/dbraw/zinc/98/75/51/1066987551.db2.gz ZVWYJFDPCHJWPB-RXVVDRJESA-N 0 0 451.567 4.704 20 0 JJADRN Cc1sc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1Br ZINC001458146346 1066987658 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MKSQOCZVKGOPNK-HUUCEWRRSA-N 0 0 457.452 4.866 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545730588 1066988452 /nfs/dbraw/zinc/98/84/52/1066988452.db2.gz CACAPSLVCOPFLU-VWNXMTODSA-N 0 0 470.658 4.800 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@@H]2COc3ccccc32)c1 ZINC001458150781 1066988616 /nfs/dbraw/zinc/98/86/16/1066988616.db2.gz QIHGWHDXFOWSTQ-XMMPIXPASA-N 0 0 451.544 4.973 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001545730860 1066988684 /nfs/dbraw/zinc/98/86/84/1066988684.db2.gz HEBYLNLBIKAJJX-ASTYLPHCSA-N 0 0 484.666 4.635 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(OC)C2)n1Cc1sccc1Br)c1ccccc1 ZINC001545730726 1066988710 /nfs/dbraw/zinc/98/87/10/1066988710.db2.gz FDITUBATYYRTOY-MRXNPFEDSA-N 0 0 461.429 4.917 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCCOC)c1ccccc1 ZINC001545730791 1066988801 /nfs/dbraw/zinc/98/88/01/1066988801.db2.gz GDKBBGLCXDCARD-CEMLEFRQSA-N 0 0 471.646 4.596 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203724 1066989236 /nfs/dbraw/zinc/98/92/36/1066989236.db2.gz MKXDREOJHJYXAC-MHECFPHRSA-N 0 0 452.551 4.779 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203728 1066989272 /nfs/dbraw/zinc/98/92/72/1066989272.db2.gz MKXDREOJHJYXAC-UUOWRZLLSA-N 0 0 452.551 4.779 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC001449210824 1066989726 /nfs/dbraw/zinc/98/97/26/1066989726.db2.gz BXPZRACOSUOELZ-MRXNPFEDSA-N 0 0 452.942 4.703 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCCCc1cccc(C)n1 ZINC001449218558 1066989910 /nfs/dbraw/zinc/98/99/10/1066989910.db2.gz QMYMPOWVEWSYGW-UHFFFAOYSA-N 0 0 458.628 4.632 20 0 JJADRN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001458154463 1066990020 /nfs/dbraw/zinc/99/00/20/1066990020.db2.gz KZQNLOAAWHFDEM-SGTLLEGYSA-N 0 0 455.477 4.796 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154566 1066990095 /nfs/dbraw/zinc/99/00/95/1066990095.db2.gz OBFBFBCMAMOHJK-OPAMFIHVSA-N 0 0 454.521 4.696 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228756 1066991324 /nfs/dbraw/zinc/99/13/24/1066991324.db2.gz OAJIXPQKUUZIRQ-FXAWDEMLSA-N 0 0 457.368 4.765 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1)OC ZINC001546012263 1066991357 /nfs/dbraw/zinc/99/13/57/1066991357.db2.gz FKJKSYOMZQKMFG-INIZCTEOSA-N 0 0 471.429 4.983 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545731547 1066991517 /nfs/dbraw/zinc/99/15/17/1066991517.db2.gz PWQNHFVWQIPPIB-FGCOXFRFSA-N 0 0 493.652 4.681 20 0 JJADRN O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001449232360 1066991838 /nfs/dbraw/zinc/99/18/38/1066991838.db2.gz WOORMGBXORKMNA-FQEVSTJZSA-N 0 0 454.452 4.745 20 0 JJADRN CC[C@H](c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCSC(F)(F)F)c1ccccc1 ZINC001545731880 1066992019 /nfs/dbraw/zinc/99/20/19/1066992019.db2.gz UPWYEJYNZIYPRA-AVRDEDQJSA-N 0 0 484.588 4.847 20 0 JJADRN CC[C@H](CSc1ccccc1)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC001458158350 1066992135 /nfs/dbraw/zinc/99/21/35/1066992135.db2.gz HQZAYNFBDTYXME-FAFRJYIDSA-N 0 0 459.656 4.591 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H](N3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545731837 1066992186 /nfs/dbraw/zinc/99/21/86/1066992186.db2.gz SXSNKABWKNVHRN-YMPZKCBVSA-N 0 0 471.715 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001449236744 1066992304 /nfs/dbraw/zinc/99/23/04/1066992304.db2.gz IFQADFYUNGAOJV-IBGZPJMESA-N 0 0 459.414 4.960 20 0 JJADRN COCCN1C[C@H](C(=O)N[C@@H](CC2CCCC2)c2ccc(Oc3ccccc3)cc2)CC1=O ZINC001458161257 1066993072 /nfs/dbraw/zinc/99/30/72/1066993072.db2.gz LOFVAVFSYDLYRR-RDGATRHJSA-N 0 0 450.579 4.711 20 0 JJADRN O=C(NCCCNc1nc(C(F)F)nc2ccc(F)cc21)c1ccc(Br)cc1 ZINC001458165139 1066993465 /nfs/dbraw/zinc/99/34/65/1066993465.db2.gz WUPGQNUNNHTEDI-UHFFFAOYSA-N 0 0 453.262 4.701 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449261879 1066993827 /nfs/dbraw/zinc/99/38/27/1066993827.db2.gz QZYHVWVGQNAFCZ-UHFFFAOYSA-N 0 0 455.946 4.753 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001545732620 1066994051 /nfs/dbraw/zinc/99/40/51/1066994051.db2.gz JDPOKQLBIPRUDT-LSDHHAIUSA-N 0 0 453.967 4.674 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC001449266221 1066994057 /nfs/dbraw/zinc/99/40/57/1066994057.db2.gz RCRTUAJDLRCCQS-HSZRJFAPSA-N 0 0 450.922 4.953 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCc2cc(C)ccc2OC(F)F)cc1 ZINC001545732515 1066994059 /nfs/dbraw/zinc/99/40/59/1066994059.db2.gz GUGCVPZKPWRJES-MRXNPFEDSA-N 0 0 452.299 4.508 20 0 JJADRN O=C(NC[C@@H]1CCCN(c2cc(SCc3ccccc3)ncn2)C1)Nc1cccc(F)c1 ZINC001458165579 1066994047 /nfs/dbraw/zinc/99/40/47/1066994047.db2.gz LJGYKFWUHBTRMO-IBGZPJMESA-N 0 0 451.571 4.946 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001458166139 1066994056 /nfs/dbraw/zinc/99/40/56/1066994056.db2.gz RSIQIHYWUBESBP-UHFFFAOYSA-N 0 0 451.611 4.675 20 0 JJADRN Cc1nn(CC(=O)NCCCSc2ccccn2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001449265601 1066994114 /nfs/dbraw/zinc/99/41/14/1066994114.db2.gz KXZHTLDAAVPDJY-UHFFFAOYSA-N 0 0 451.518 4.576 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)c1ccc(Br)c(C(F)(F)F)n1 ZINC001458167962 1066994512 /nfs/dbraw/zinc/99/45/12/1066994512.db2.gz ALBWRNAFDLSATA-UHFFFAOYSA-N 0 0 451.258 4.924 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)C1 ZINC001545732832 1066994593 /nfs/dbraw/zinc/99/45/93/1066994593.db2.gz NBZJYWYWHGRMEG-UONOGXRCSA-N 0 0 451.926 4.900 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC=C(C)CC1)NC(=O)OC(C)(C)C ZINC001546012610 1066994516 /nfs/dbraw/zinc/99/45/16/1066994516.db2.gz LIOMLDVPQVCURQ-OAQYLSRUSA-N 0 0 469.630 4.934 20 0 JJADRN O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001458169179 1066994665 /nfs/dbraw/zinc/99/46/65/1066994665.db2.gz AIFJZWOGQYWNBN-UHFFFAOYSA-N 0 0 453.833 4.680 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545733512 1066994793 /nfs/dbraw/zinc/99/47/93/1066994793.db2.gz COMUTRQJNDHXJK-VXNXHJTFSA-N 0 0 468.642 4.661 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001458169374 1066994844 /nfs/dbraw/zinc/99/48/44/1066994844.db2.gz JDWVMQCUMQGPEF-ZUZCIYMTSA-N 0 0 456.852 4.956 20 0 JJADRN CNC(=O)Nc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1F ZINC001449281268 1066994907 /nfs/dbraw/zinc/99/49/07/1066994907.db2.gz IJDILDCDYCEDHT-UHFFFAOYSA-N 0 0 455.334 4.777 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCSC1)c1ccccc1 ZINC001545733452 1066994972 /nfs/dbraw/zinc/99/49/72/1066994972.db2.gz 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CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545745876 1067013030 /nfs/dbraw/zinc/01/30/30/1067013030.db2.gz HVVSEATYYJXSFJ-KCWPFWIISA-N 0 0 483.657 4.694 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cc(OCc2ccccc2)ccn1 ZINC001458254520 1067013308 /nfs/dbraw/zinc/01/33/08/1067013308.db2.gz MURWLUXLPVUEHQ-UHFFFAOYSA-N 0 0 455.301 4.905 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCNC(=O)c1ccco1)c1ccccc1 ZINC001545745994 1067013454 /nfs/dbraw/zinc/01/34/54/1067013454.db2.gz IXZHSKLDSBKQFB-RTBURBONSA-N 0 0 475.515 4.622 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001458254984 1067013468 /nfs/dbraw/zinc/01/34/68/1067013468.db2.gz SARIIMGEOARCCP-WBVHZDCISA-N 0 0 452.477 4.865 20 0 JJADRN CC[C@@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015241 1067013627 /nfs/dbraw/zinc/01/36/27/1067013627.db2.gz WXOJORZHHGRXQN-FNZWTVRRSA-N 0 0 474.621 4.942 20 0 JJADRN CC[C@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015242 1067013785 /nfs/dbraw/zinc/01/37/85/1067013785.db2.gz WXOJORZHHGRXQN-FQRUVTKNSA-N 0 0 474.621 4.942 20 0 JJADRN CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546015216 1067013830 /nfs/dbraw/zinc/01/38/30/1067013830.db2.gz WCGGRSLGDNUMBN-WOJBJXKFSA-N 0 0 487.645 4.651 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545746263 1067013865 /nfs/dbraw/zinc/01/38/65/1067013865.db2.gz MDMZVNWVRFVSAR-OFNKIYASSA-N 0 0 467.580 4.710 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545746347 1067014124 /nfs/dbraw/zinc/01/41/24/1067014124.db2.gz NNALXWFTCYBZID-GHTZIAJQSA-N 0 0 472.058 4.936 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546015389 1067014373 /nfs/dbraw/zinc/01/43/73/1067014373.db2.gz ZCLNVCAKOJDTLI-TXNPELCJSA-N 0 0 460.594 4.550 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cnc1N1CCCC[C@H]1C ZINC001458257552 1067014591 /nfs/dbraw/zinc/01/45/91/1067014591.db2.gz KSJGWTIEMKWASL-LDJQZATESA-N 0 0 458.965 4.719 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545746553 1067014679 /nfs/dbraw/zinc/01/46/79/1067014679.db2.gz QSZNHRZOIWBILN-WJNCPCKPSA-N 0 0 481.685 4.624 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545746481 1067014734 /nfs/dbraw/zinc/01/47/34/1067014734.db2.gz PKJZANCZUJWKPQ-NJYVYQBISA-N 0 0 457.688 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@@H]1CCSC1(C)C)c1ccccc1 ZINC001545746600 1067014947 /nfs/dbraw/zinc/01/49/47/1067014947.db2.gz RKLVSMGDXRBVIG-AKIFATBCSA-N 0 0 469.699 4.704 20 0 JJADRN COCC[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1cccc(C(F)(F)F)c1 ZINC001449572548 1067015327 /nfs/dbraw/zinc/01/53/27/1067015327.db2.gz CSZKAOMTZZTISH-OAHLLOKOSA-N 0 0 456.262 4.852 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458260335 1067015369 /nfs/dbraw/zinc/01/53/69/1067015369.db2.gz AIWZUPZJOSCZFO-GZAFZTIPSA-N 0 0 450.888 4.728 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545746673 1067015284 /nfs/dbraw/zinc/01/52/84/1067015284.db2.gz SQMCNOCHQAKRDX-DHIUTWEWSA-N 0 0 468.642 4.806 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC1(COC)CCCCC1)c1ccccc1 ZINC001545746675 1067015358 /nfs/dbraw/zinc/01/53/58/1067015358.db2.gz SQMCNOCHQAKRDX-PKTZIBPZSA-N 0 0 468.642 4.806 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545746693 1067015383 /nfs/dbraw/zinc/01/53/83/1067015383.db2.gz SVTJQXAUBNMXML-PKTZIBPZSA-N 0 0 491.636 4.830 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545746748 1067015636 /nfs/dbraw/zinc/01/56/36/1067015636.db2.gz UJOMZHQAYJRDFT-SFTDATJTSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@](C)(OC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545746726 1067015709 /nfs/dbraw/zinc/01/57/09/1067015709.db2.gz UCRQVRPVKQINLG-KCWPFWIISA-N 0 0 467.658 4.618 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(O)c2)CC1 ZINC001449577810 1067015744 /nfs/dbraw/zinc/01/57/44/1067015744.db2.gz FZOJJYNVJCKSMB-GOSISDBHSA-N 0 0 456.505 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2cnc(-c3cccnc3)s2)CC1 ZINC001449580762 1067015811 /nfs/dbraw/zinc/01/58/11/1067015811.db2.gz HKMSQHDDCRFMFV-LJQANCHMSA-N 0 0 456.612 4.703 20 0 JJADRN COc1cc(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c2ccccc2n1 ZINC001449574500 1067015824 /nfs/dbraw/zinc/01/58/24/1067015824.db2.gz DANCMJMVIWRWCS-QFIPXVFZSA-N 0 0 453.583 4.741 20 0 JJADRN Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260842 1067015845 /nfs/dbraw/zinc/01/58/45/1067015845.db2.gz LNKWSHWOLGANCB-JOCHJYFZSA-N 0 0 459.377 4.980 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545746975 1067015994 /nfs/dbraw/zinc/01/59/94/1067015994.db2.gz XTNXXFWTCNCRIY-NFBKMPQASA-N 0 0 453.631 4.925 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)C2CC(OCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458264448 1067016142 /nfs/dbraw/zinc/01/61/42/1067016142.db2.gz KDOZGUZJKFKHMV-VRXROAKMSA-N 0 0 458.961 4.641 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001449588932 1067016072 /nfs/dbraw/zinc/01/60/72/1067016072.db2.gz JPTORQLDFYMCHR-LJQANCHMSA-N 0 0 455.396 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC001449586415 1067016192 /nfs/dbraw/zinc/01/61/92/1067016192.db2.gz SCLRJSJVVFHCTI-NRFANRHFSA-N 0 0 457.546 4.978 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccn(Cc3ccccc3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458266206 1067016447 /nfs/dbraw/zinc/01/64/47/1067016447.db2.gz NMISKDUFRRJOLI-UPVQGACJSA-N 0 0 453.945 4.809 20 0 JJADRN CCOC(=O)c1nc(N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc(C(C)(C)C)n1 ZINC001458268069 1067016477 /nfs/dbraw/zinc/01/64/77/1067016477.db2.gz NECRLBPMZAJVSA-NDEPHWFRSA-N 0 0 459.590 4.791 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545747178 1067016482 /nfs/dbraw/zinc/01/64/82/1067016482.db2.gz ZXMGUYYEVZPCIB-UXHICEINSA-N 0 0 466.548 4.530 20 0 JJADRN CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545746987 1067016543 /nfs/dbraw/zinc/01/65/43/1067016543.db2.gz XWMCHAAYRICNHX-NRFANRHFSA-N 0 0 483.657 4.740 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ccn(Cc3ccccc3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458266204 1067016562 /nfs/dbraw/zinc/01/65/62/1067016562.db2.gz NMISKDUFRRJOLI-LADGPHEKSA-N 0 0 453.945 4.809 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545747110 1067016663 /nfs/dbraw/zinc/01/66/63/1067016663.db2.gz ZGPRJOHLWXJMNF-YIXXDRMTSA-N 0 0 467.658 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC1(SC)CCC1)c1ccccc1 ZINC001545748436 1067016881 /nfs/dbraw/zinc/01/68/81/1067016881.db2.gz ANTYFOFVHMYSCL-FGZHOGPDSA-N 0 0 469.699 4.847 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)COCc1cccc(OC)c1 ZINC001458272319 1067017716 /nfs/dbraw/zinc/01/77/16/1067017716.db2.gz MZTYJSHVFRCGPW-OAQYLSRUSA-N 0 0 450.501 4.748 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)CCC(=O)N2C)cc1 ZINC001458272364 1067017775 /nfs/dbraw/zinc/01/77/75/1067017775.db2.gz NYNJLPUBSAUTNN-RADWXHQJSA-N 0 0 455.624 4.851 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@](C)(O)CCC(C)C)c1ccccc1 ZINC001545748773 1067018030 /nfs/dbraw/zinc/01/80/30/1067018030.db2.gz FOTOMVKOJLHENW-GKAFBRTNSA-N 0 0 481.685 4.598 20 0 JJADRN O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449612823 1067018480 /nfs/dbraw/zinc/01/84/80/1067018480.db2.gz YQYPFIVPEFBWIY-UHFFFAOYSA-N 0 0 451.304 4.947 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545748860 1067018484 /nfs/dbraw/zinc/01/84/84/1067018484.db2.gz GNGKFALHULTCCY-WXFUMESZSA-N 0 0 479.673 4.931 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545748857 1067018629 /nfs/dbraw/zinc/01/86/29/1067018629.db2.gz GNGKFALHULTCCY-RBZQAINGSA-N 0 0 479.673 4.931 20 0 JJADRN Cc1csc(-c2cccc(C(=O)NC[C@@H](CO)Cc3cccc(Br)c3C)c2)n1 ZINC001449642968 1067018696 /nfs/dbraw/zinc/01/86/96/1067018696.db2.gz YYHMBGYCINLWFC-INIZCTEOSA-N 0 0 459.409 4.770 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545748956 1067018922 /nfs/dbraw/zinc/01/89/22/1067018922.db2.gz HPOZPNAJUFCCEW-SFTDATJTSA-N 0 0 451.640 4.995 20 0 JJADRN O=C(Nc1ccccc1)c1ccc(OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC001458276635 1067018950 /nfs/dbraw/zinc/01/89/50/1067018950.db2.gz MSFOGDOCZBFTSX-UHFFFAOYSA-N 0 0 458.514 4.893 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1)C2=O ZINC001449653445 1067019189 /nfs/dbraw/zinc/01/91/89/1067019189.db2.gz PMUPAJPCBVLULJ-DSHQCNEISA-N 0 0 453.627 4.604 20 0 JJADRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1ccc(SC(F)(F)F)o1 ZINC001449665676 1067019221 /nfs/dbraw/zinc/01/92/21/1067019221.db2.gz XMVXROJLYCHJIC-LLVKDONJSA-N 0 0 452.292 4.543 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545749074 1067019301 /nfs/dbraw/zinc/01/93/01/1067019301.db2.gz JSGKWDXSCDLIBE-FGZHOGPDSA-N 0 0 465.667 4.964 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545749068 1067019345 /nfs/dbraw/zinc/01/93/45/1067019345.db2.gz JLOPGMPIRDULEM-YADHBBJMSA-N 0 0 483.657 4.739 20 0 JJADRN CCCN(C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1)C1CC1 ZINC001458277090 1067019488 /nfs/dbraw/zinc/01/94/88/1067019488.db2.gz BYBBINDZQULCAP-UHFFFAOYSA-N 0 0 450.608 4.956 20 0 JJADRN O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC001449681441 1067019648 /nfs/dbraw/zinc/01/96/48/1067019648.db2.gz JCEDJRYNTDIGMZ-HDICACEKSA-N 0 0 451.419 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)C1 ZINC001449683064 1067019962 /nfs/dbraw/zinc/01/99/62/1067019962.db2.gz BHEAMQFBHKQLTG-HZPDHXFCSA-N 0 0 457.398 4.868 20 0 JJADRN CC[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1cc(C)ccc1OC ZINC001458278513 1067019866 /nfs/dbraw/zinc/01/98/66/1067019866.db2.gz FLHPSHOCLKKIFK-YDHSSHFGSA-N 0 0 459.608 4.978 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545749461 1067020121 /nfs/dbraw/zinc/02/01/21/1067020121.db2.gz OHVSZZXHMNIUPF-LEWJYISDSA-N 0 0 476.547 4.573 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2C2CCC2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545749398 1067020223 /nfs/dbraw/zinc/02/02/23/1067020223.db2.gz NKSRHUBRRAERKR-FGZHOGPDSA-N 0 0 458.672 4.802 20 0 JJADRN CCOC(=O)c1oc(N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)nc1C(F)(F)F ZINC001458282805 1067020617 /nfs/dbraw/zinc/02/06/17/1067020617.db2.gz SYBRXHAUZLOPDG-BXKDBHETSA-N 0 0 451.239 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)CCCOc3ccc(F)cc3F)C2)C1 ZINC001449690284 1067020745 /nfs/dbraw/zinc/02/07/45/1067020745.db2.gz HJHXAZKFCGNFSC-QZTJIDSGSA-N 0 0 452.542 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449692149 1067020775 /nfs/dbraw/zinc/02/07/75/1067020775.db2.gz HXUMSQNXJNUMJL-JSXRDJHFSA-N 0 0 479.662 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)CCCOc3ccc(F)cc3F)C2)C1 ZINC001449691861 1067020898 /nfs/dbraw/zinc/02/08/98/1067020898.db2.gz HJHXAZKFCGNFSC-ZWKOTPCHSA-N 0 0 452.542 4.619 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001458283911 1067020921 /nfs/dbraw/zinc/02/09/21/1067020921.db2.gz UPGBVQNNDFUTBW-UHFFFAOYSA-N 0 0 451.592 4.971 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@](C)(O)C1CC1)c1ccccc1 ZINC001545749704 1067020999 /nfs/dbraw/zinc/02/09/99/1067020999.db2.gz RIQNJVNHTRXDJK-VIZSFHNOSA-N 0 0 466.548 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)C1 ZINC001449694364 1067021046 /nfs/dbraw/zinc/02/10/46/1067021046.db2.gz JWSFCHZXFLMKLT-GJZGRUSLSA-N 0 0 455.368 4.697 20 0 JJADRN Cc1cc(OCC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc(C)c1Cl ZINC001449693826 1067021253 /nfs/dbraw/zinc/02/12/53/1067021253.db2.gz JHCLNYJFDMLDGG-RBUKOAKNSA-N 0 0 451.007 4.831 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001458285955 1067021418 /nfs/dbraw/zinc/02/14/18/1067021418.db2.gz DQOBODLVMPKVKN-UHFFFAOYSA-N 0 0 453.564 4.864 20 0 JJADRN COc1ccc2cccc(CC(=O)N3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2c1 ZINC001449702155 1067021521 /nfs/dbraw/zinc/02/15/21/1067021521.db2.gz NVXKQHAGLYDYTM-FCHUYYIVSA-N 0 0 452.595 4.887 20 0 JJADRN CC[C@@H](OC(=O)CCS(=O)(=O)c1cccc(Br)c1)c1cc(C)ccc1OC ZINC001458287496 1067021797 /nfs/dbraw/zinc/02/17/97/1067021797.db2.gz XDSOIYINDSGFMC-GOSISDBHSA-N 0 0 455.370 4.624 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)C2)C1 ZINC001449704481 1067021908 /nfs/dbraw/zinc/02/19/08/1067021908.db2.gz OPEXSMKREVXJNY-XZOQPEGZSA-N 0 0 456.627 4.830 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1)c1ccccc1 ZINC001545750051 1067022099 /nfs/dbraw/zinc/02/20/99/1067022099.db2.gz XMJBRCSFSJWYPW-ICDZXHCJSA-N 0 0 483.701 4.572 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2CSC)n1CCOc1ncccc1F)c1ccccc1 ZINC001545750223 1067022468 /nfs/dbraw/zinc/02/24/68/1067022468.db2.gz ZONSBHDOLOACMM-VQTJNVASSA-N 0 0 455.603 4.765 20 0 JJADRN CC[C@@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001546016354 1067022529 /nfs/dbraw/zinc/02/25/29/1067022529.db2.gz BZSJWBUTJRYXEH-FMKPAKJESA-N 0 0 453.538 4.615 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c(OC)c1 ZINC001458291003 1067022700 /nfs/dbraw/zinc/02/27/00/1067022700.db2.gz LBGLMTSJLITNAO-HXUWFJFHSA-N 0 0 457.445 4.543 20 0 JJADRN CC[C@@H](Cn1c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016413 1067022763 /nfs/dbraw/zinc/02/27/63/1067022763.db2.gz DAPXMQVGYOWABU-JRGCBEDISA-N 0 0 489.636 4.984 20 0 JJADRN COc1cc([C@H](NC(=O)c2csc(-c3cccs3)n2)C(F)(F)F)cc(OC)c1OC ZINC001458290644 1067022947 /nfs/dbraw/zinc/02/29/47/1067022947.db2.gz IWGHFTFFXIEAAY-INIZCTEOSA-N 0 0 458.483 4.931 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cnn1-c1ccc(C)cc1 ZINC001449717961 1067023153 /nfs/dbraw/zinc/02/31/53/1067023153.db2.gz ZUSQIINDLVLHMG-RTWAWAEBSA-N 0 0 452.599 4.598 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)cc1 ZINC001458295021 1067023688 /nfs/dbraw/zinc/02/36/88/1067023688.db2.gz WGTBXLWQFFYMCZ-KGLIPLIRSA-N 0 0 456.391 4.558 20 0 JJADRN CCOc1ccc(SCC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001458295166 1067023968 /nfs/dbraw/zinc/02/39/68/1067023968.db2.gz XCOYYUUOGKHABR-FQEVSTJZSA-N 0 0 459.486 4.623 20 0 JJADRN COC[C@]1(CO)CCN(C(=O)c2ccc(N[C@@H](C)c3cc(Cl)ccc3Cl)c(C)c2)C1 ZINC001449745658 1067024572 /nfs/dbraw/zinc/02/45/72/1067024572.db2.gz KLOZIAQRUVGTEC-QMHKHESXSA-N 0 0 451.394 4.946 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)c1cc(Cl)cc(Cl)c1F ZINC001449744093 1067024754 /nfs/dbraw/zinc/02/47/54/1067024754.db2.gz RDCAARNXEKOOFU-SECBINFHSA-N 0 0 453.110 4.615 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001458297420 1067024734 /nfs/dbraw/zinc/02/47/34/1067024734.db2.gz SXUVFBNPZIZCHC-UHFFFAOYSA-N 0 0 453.970 4.957 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)c(F)c1 ZINC001449744177 1067024910 /nfs/dbraw/zinc/02/49/10/1067024910.db2.gz AKNXPHMKEGDLJI-UHFFFAOYSA-N 0 0 450.532 4.560 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458299357 1067025250 /nfs/dbraw/zinc/02/52/50/1067025250.db2.gz YXJZZLPKMYBGPF-SVIJTADQSA-N 0 0 453.341 4.630 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc32)c(F)c1 ZINC001449748039 1067025327 /nfs/dbraw/zinc/02/53/27/1067025327.db2.gz FUJUBXIMHBPEEQ-UHFFFAOYSA-N 0 0 459.543 4.836 20 0 JJADRN CC[C@H](Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016953 1067025339 /nfs/dbraw/zinc/02/53/39/1067025339.db2.gz LXZFWVNTGUDEEV-OAHLLOKOSA-N 0 0 463.573 4.720 20 0 JJADRN Cc1ccc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001449758204 1067025717 /nfs/dbraw/zinc/02/57/17/1067025717.db2.gz PUSKTZJZMGBUAF-UHFFFAOYSA-N 0 0 452.555 4.767 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1Br ZINC001449759835 1067025989 /nfs/dbraw/zinc/02/59/89/1067025989.db2.gz MJXBTWDGHGSJJR-HNAYVOBHSA-N 0 0 452.820 4.947 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c(F)c1 ZINC001449758409 1067026069 /nfs/dbraw/zinc/02/60/69/1067026069.db2.gz VXPDATQBXFFPQU-UHFFFAOYSA-N 0 0 457.449 4.747 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)Nc1ncnc(C(F)(F)F)c1Br ZINC001458309121 1067026481 /nfs/dbraw/zinc/02/64/81/1067026481.db2.gz LNQBIBLBXZXSCJ-OCCSQVGLSA-N 0 0 458.278 4.722 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)Nc1ncnc(C(F)(F)F)c1Br ZINC001458309118 1067026524 /nfs/dbraw/zinc/02/65/24/1067026524.db2.gz LNQBIBLBXZXSCJ-JSGCOSHPSA-N 0 0 458.278 4.722 20 0 JJADRN CC[C@H](c1nnc(N2CCCC3(CCOCC3)C2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545752120 1067026605 /nfs/dbraw/zinc/02/66/05/1067026605.db2.gz REWDXSMCZCRYBM-KATKFWMUSA-N 0 0 472.699 4.764 20 0 JJADRN C[C@H](c1ccccn1)N(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC001458311044 1067026655 /nfs/dbraw/zinc/02/66/55/1067026655.db2.gz VODJIXUPXMTKKN-LJQANCHMSA-N 0 0 455.562 4.914 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016653 1067026909 /nfs/dbraw/zinc/02/69/09/1067026909.db2.gz IBBJAQFXYLALTC-ZRBLBEILSA-N 0 0 496.700 4.937 20 0 JJADRN Cc1ccc(Br)c2c1N(C(=O)CCCOc1ccc3c(c1)NC(=O)CC3)CCC2 ZINC001458313434 1067026762 /nfs/dbraw/zinc/02/67/62/1067026762.db2.gz PIAVZXALXMUCIA-UHFFFAOYSA-N 0 0 457.368 4.781 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458312700 1067026895 /nfs/dbraw/zinc/02/68/95/1067026895.db2.gz APQTWUKQUCDFMD-CYBMUJFWSA-N 0 0 457.168 4.531 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc(C)nc(C(F)(F)F)n1)C(F)(F)F ZINC001458314128 1067027359 /nfs/dbraw/zinc/02/73/59/1067027359.db2.gz APSZTHIJMGVZDM-INIZCTEOSA-N 0 0 457.378 4.640 20 0 JJADRN C[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1c[nH]c2ccccc21 ZINC001449778306 1067027422 /nfs/dbraw/zinc/02/74/22/1067027422.db2.gz VNIDQWLVDBKMCH-BSDZUQITSA-N 0 0 455.599 4.582 20 0 JJADRN FC(F)(F)c1nc(NC[C@H]2CSCCN2Cc2ccccc2)sc1Br ZINC001458313444 1067027513 /nfs/dbraw/zinc/02/75/13/1067027513.db2.gz MJMKPQWQVSKURO-LBPRGKRZSA-N 0 0 452.365 4.954 20 0 JJADRN Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c(Cl)c1Cl ZINC001449779367 1067027613 /nfs/dbraw/zinc/02/76/13/1067027613.db2.gz ZPYUZPIPBHMRJO-APWZRJJASA-N 0 0 457.398 4.836 20 0 JJADRN C[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1c[nH]c2ccccc21 ZINC001449778311 1067027716 /nfs/dbraw/zinc/02/77/16/1067027716.db2.gz VNIDQWLVDBKMCH-YJGRUCBDSA-N 0 0 455.599 4.582 20 0 JJADRN CC[C@@H](c1nnc(N2CCCO[C@@H](C)C2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545752312 1067027684 /nfs/dbraw/zinc/02/76/84/1067027684.db2.gz UYKHHZBQAFMTLG-PKOBYXMFSA-N 0 0 454.644 4.633 20 0 JJADRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(N2CCCC2)ncc1Cl ZINC001458314763 1067027761 /nfs/dbraw/zinc/02/77/61/1067027761.db2.gz GTLLGNQISXJIPE-CQSZACIVSA-N 0 0 452.786 4.782 20 0 JJADRN CC[C@H](Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546016749 1067027815 /nfs/dbraw/zinc/02/78/15/1067027815.db2.gz JKOJKHYZEOXBIE-IAGOWNOFSA-N 0 0 471.543 4.645 20 0 JJADRN CO[C@@H](C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(Br)s1 ZINC001458315721 1067028237 /nfs/dbraw/zinc/02/82/37/1067028237.db2.gz MLKXIGFNVBBFGL-GFCCVEGCSA-N 0 0 457.243 4.511 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC1(O)CCCCC1)c1ccccc1 ZINC001545752417 1067028236 /nfs/dbraw/zinc/02/82/36/1067028236.db2.gz XGUYYIMUYIJHDL-DEOSSOPVSA-N 0 0 497.684 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H]2CCc3c2ccc(F)c3Br)C(C)(C)C1 ZINC001449793905 1067028697 /nfs/dbraw/zinc/02/86/97/1067028697.db2.gz TUOKBMLCWGTYMU-ZBFHGGJFSA-N 0 0 455.368 4.585 20 0 JJADRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001449794091 1067028914 /nfs/dbraw/zinc/02/89/14/1067028914.db2.gz VAANFFKRGANTTN-LBPRGKRZSA-N 0 0 459.193 4.871 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001458319057 1067029056 /nfs/dbraw/zinc/02/90/56/1067029056.db2.gz AXPNWGIDKDEEEO-YVEFUNNKSA-N 0 0 451.386 4.674 20 0 JJADRN CC[C@H](Cn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)cn1C)c1ccccc1 ZINC001546016907 1067029067 /nfs/dbraw/zinc/02/90/67/1067029067.db2.gz LFGDMTRJDVZLQQ-OAHLLOKOSA-N 0 0 454.376 4.717 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CO ZINC001449795901 1067029123 /nfs/dbraw/zinc/02/91/23/1067029123.db2.gz HIVDZYFBMMABJO-CYBMUJFWSA-N 0 0 458.440 4.753 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)c1ccc(OC)c(Br)c1 ZINC001458320136 1067029335 /nfs/dbraw/zinc/02/93/35/1067029335.db2.gz SPGYXSMLOPUNBT-UEXGIBASSA-N 0 0 460.368 4.599 20 0 JJADRN CC[C@H](CSC)N(C)C(=O)c1cc(I)cc(Br)c1C ZINC001458320691 1067029362 /nfs/dbraw/zinc/02/93/62/1067029362.db2.gz DNHFJPUXCKLVRC-LLVKDONJSA-N 0 0 456.187 4.576 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001458319999 1067029496 /nfs/dbraw/zinc/02/94/96/1067029496.db2.gz RMWCGEYFQMQANR-GOSISDBHSA-N 0 0 453.367 4.844 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1)NC(=O)OC(C)(C)C ZINC001546016913 1067029419 /nfs/dbraw/zinc/02/94/19/1067029419.db2.gz LHBXBNPJPYAOIB-YADHBBJMSA-N 0 0 483.657 4.667 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCCOC)c1ccccc1 ZINC001545753915 1067029612 /nfs/dbraw/zinc/02/96/12/1067029612.db2.gz AVXOYNIFMCSFQS-IRLDBZIGSA-N 0 0 471.646 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCCOC)c1ccccc1 ZINC001545753914 1067029656 /nfs/dbraw/zinc/02/96/56/1067029656.db2.gz AVXOYNIFMCSFQS-IFMALSPDSA-N 0 0 471.646 4.692 20 0 JJADRN CC[C@H](Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017351 1067029943 /nfs/dbraw/zinc/02/99/43/1067029943.db2.gz SSFCYSFFZPRPOR-OAQYLSRUSA-N 0 0 471.646 4.956 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001458320847 1067029863 /nfs/dbraw/zinc/02/98/63/1067029863.db2.gz DJYGODBIRZMKLC-ZHRRBRCNSA-N 0 0 455.352 4.929 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546099351 1067029890 /nfs/dbraw/zinc/02/98/90/1067029890.db2.gz CGXNRYJQCDHPBY-MHZLTWQESA-N 0 0 479.625 4.612 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)COC)c1ccccc1 ZINC001545754040 1067029953 /nfs/dbraw/zinc/02/99/53/1067029953.db2.gz DIIFVHAYJRHHGC-URVUXULASA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](C)COC)c1ccccc1 ZINC001545754039 1067030147 /nfs/dbraw/zinc/03/01/47/1067030147.db2.gz DIIFVHAYJRHHGC-SJBKTWHCSA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@@H](Cn1c(N2CCCC2(C)C)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017455 1067030109 /nfs/dbraw/zinc/03/01/09/1067030109.db2.gz VDRWHZMGZWEVJW-DFBJGRDBSA-N 0 0 460.594 4.694 20 0 JJADRN CC[C@H](Cn1c(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)nnc1C(C)(C)C)OC ZINC001546017502 1067030187 /nfs/dbraw/zinc/03/01/87/1067030187.db2.gz VSJLYEFMRYYGFT-GOSISDBHSA-N 0 0 473.971 4.999 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CCCN(c4cccc(F)c4F)CC3)cc2s1 ZINC001449820691 1067030363 /nfs/dbraw/zinc/03/03/63/1067030363.db2.gz BLHGAMIEBMHAQP-UHFFFAOYSA-N 0 0 450.580 4.835 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1(CC)CC1)c1ccccc1 ZINC001545754223 1067030391 /nfs/dbraw/zinc/03/03/91/1067030391.db2.gz IMQLQOFSYNPDOZ-OAQYLSRUSA-N 0 0 452.647 4.640 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC001458322889 1067030541 /nfs/dbraw/zinc/03/05/41/1067030541.db2.gz UOFBACGMFTYCEY-UHFFFAOYSA-N 0 0 454.276 4.707 20 0 JJADRN O=C(CCOC1CCOCC1)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC001458323692 1067030652 /nfs/dbraw/zinc/03/06/52/1067030652.db2.gz XASPSZQSUGOHHG-NRFANRHFSA-N 0 0 455.448 4.667 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1nc(C(F)(F)F)ns1 ZINC001458323250 1067030665 /nfs/dbraw/zinc/03/06/65/1067030665.db2.gz QEKXKZZTONQIEG-NSHDSACASA-N 0 0 452.296 4.514 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1Cc1cccs1)OC ZINC001546017558 1067030673 /nfs/dbraw/zinc/03/06/73/1067030673.db2.gz WZKHZMXISPXFDS-YRPNKDGESA-N 0 0 489.686 4.747 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC001545754352 1067030802 /nfs/dbraw/zinc/03/08/02/1067030802.db2.gz KXDZDSVRWUXMCW-MZURWIMNSA-N 0 0 497.684 4.986 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccsc2)CCO1 ZINC001546099433 1067030948 /nfs/dbraw/zinc/03/09/48/1067030948.db2.gz FCJBQJCDWDBBKZ-OAQYLSRUSA-N 0 0 477.428 4.735 20 0 JJADRN CCO[C@H](C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC001458324966 1067031045 /nfs/dbraw/zinc/03/10/45/1067031045.db2.gz ZULFHVMMFVTZTA-HBGVWJBISA-N 0 0 455.448 4.522 20 0 JJADRN CCO[C@H](C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC001458324969 1067031077 /nfs/dbraw/zinc/03/10/77/1067031077.db2.gz ZULFHVMMFVTZTA-NDXORKPFSA-N 0 0 455.448 4.522 20 0 JJADRN CC[C@H](Cn1c(N2CCN(C(C)=O)C3(CCCCC3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017587 1067031186 /nfs/dbraw/zinc/03/11/86/1067031186.db2.gz XLTSNOPWMUUJRE-OAQYLSRUSA-N 0 0 485.648 4.944 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017564 1067031202 /nfs/dbraw/zinc/03/12/02/1067031202.db2.gz XCJCKZNJMJNVKO-AZUAARDMSA-N 0 0 457.619 4.926 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)cs1)OC ZINC001546017576 1067031214 /nfs/dbraw/zinc/03/12/14/1067031214.db2.gz XJHRGGXRVLXIOJ-HKUYNNGSSA-N 0 0 463.648 4.781 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)c1cc(Br)cc(N(C)C)c1)CC2 ZINC001458325855 1067031402 /nfs/dbraw/zinc/03/14/02/1067031402.db2.gz IRGGOXYTJMLPGW-UHFFFAOYSA-N 0 0 452.190 4.785 20 0 JJADRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC001458326150 1067031441 /nfs/dbraw/zinc/03/14/41/1067031441.db2.gz LGJNSIQNTQDTFN-UHFFFAOYSA-N 0 0 450.892 4.778 20 0 JJADRN COc1c(F)cc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)c(OC)c1F ZINC001449842533 1067031490 /nfs/dbraw/zinc/03/14/90/1067031490.db2.gz RZLMYWVBLNXGSA-UHFFFAOYSA-N 0 0 453.898 4.860 20 0 JJADRN CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CCO ZINC001449840604 1067031508 /nfs/dbraw/zinc/03/15/08/1067031508.db2.gz NPONOEVOQMOBKQ-CQSZACIVSA-N 0 0 459.472 4.549 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC1(CC)CC1)c1ccccc1 ZINC001545754748 1067031566 /nfs/dbraw/zinc/03/15/66/1067031566.db2.gz UIGLSBAYMCJNMZ-QFIPXVFZSA-N 0 0 452.647 4.594 20 0 JJADRN CC(C)(C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1)C(N)=O ZINC001449842336 1067031667 /nfs/dbraw/zinc/03/16/67/1067031667.db2.gz NWVIVRWKKPQYDZ-MRXNPFEDSA-N 0 0 459.384 4.995 20 0 JJADRN Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CCO ZINC001449838996 1067031712 /nfs/dbraw/zinc/03/17/12/1067031712.db2.gz KBEPZBDIENWTFA-GFCCVEGCSA-N 0 0 459.428 4.609 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001458327482 1067031857 /nfs/dbraw/zinc/03/18/57/1067031857.db2.gz VBMOLNXQBUKJHV-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN Cn1cc(Br)c(CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1 ZINC001449848103 1067031901 /nfs/dbraw/zinc/03/19/01/1067031901.db2.gz PCLIXESDXFSOTD-UHFFFAOYSA-N 0 0 455.143 4.558 20 0 JJADRN Cc1nc2scc(CC(C)C)c2c(N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC001458328793 1067031952 /nfs/dbraw/zinc/03/19/52/1067031952.db2.gz FMYXRFMDTIKQHY-MRXNPFEDSA-N 0 0 458.653 4.936 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545754909 1067032020 /nfs/dbraw/zinc/03/20/20/1067032020.db2.gz YISRLGOQELHLBM-AEFFLSMTSA-N 0 0 467.536 4.828 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1Cc1ccc(C)s1)c1ccccc1 ZINC001545754990 1067032219 /nfs/dbraw/zinc/03/22/19/1067032219.db2.gz ZWFGXUGYAIISAW-QHCPKHFHSA-N 0 0 480.682 4.822 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)CCCOc2ccc(C)cc2C)CC1 ZINC001449853879 1067032361 /nfs/dbraw/zinc/03/23/61/1067032361.db2.gz MDNOUCNVYQMIGM-UHFFFAOYSA-N 0 0 451.563 4.517 20 0 JJADRN CC[C@H](Cn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017302 1067032378 /nfs/dbraw/zinc/03/23/78/1067032378.db2.gz RZFGSVKHCHMBQF-JOCHJYFZSA-N 0 0 499.700 4.761 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1(O)CCCCCC1)c1ccccc1 ZINC001545756053 1067032566 /nfs/dbraw/zinc/03/25/66/1067032566.db2.gz AFBRZSPXKFFDHH-DEOSSOPVSA-N 0 0 497.684 4.820 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cc(Br)ccc3C3CC3)C2)c1 ZINC001545755386 1067032598 /nfs/dbraw/zinc/03/25/98/1067032598.db2.gz JXENCVJGCGYBJD-HNNXBMFYSA-N 0 0 459.384 4.600 20 0 JJADRN CN(CCCOCc1ccccc1)c1ncnc2c1cnn2-c1cccc(Br)c1 ZINC001458334907 1067033348 /nfs/dbraw/zinc/03/33/48/1067033348.db2.gz INVLMINJUBDQAE-UHFFFAOYSA-N 0 0 452.356 4.621 20 0 JJADRN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC001449872031 1067033394 /nfs/dbraw/zinc/03/33/94/1067033394.db2.gz AQLKLCCCVRAFEC-RBUKOAKNSA-N 0 0 456.384 4.709 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)C2=O)cc1 ZINC001449876459 1067033497 /nfs/dbraw/zinc/03/34/97/1067033497.db2.gz HAKRPJDPSUOAAG-KNQAVFIVSA-N 0 0 455.396 4.942 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)c1 ZINC001458333786 1067033511 /nfs/dbraw/zinc/03/35/11/1067033511.db2.gz VBAUXQQIOIMMKI-HSZRJFAPSA-N 0 0 452.595 4.837 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCCC1 ZINC001449877606 1067033719 /nfs/dbraw/zinc/03/37/19/1067033719.db2.gz KHFONRURROYFMQ-QGZVFWFLSA-N 0 0 451.405 4.850 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1)CC1CC1 ZINC001449889183 1067034003 /nfs/dbraw/zinc/03/40/03/1067034003.db2.gz CYNNXHYJJCHUPY-UHFFFAOYSA-N 0 0 452.530 4.878 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCOc3ccccc3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546099545 1067034287 /nfs/dbraw/zinc/03/42/87/1067034287.db2.gz HGNBHWFXBBQJIT-SANMLTNESA-N 0 0 483.682 4.902 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCOc3ccccc3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546099544 1067034372 /nfs/dbraw/zinc/03/43/72/1067034372.db2.gz HGNBHWFXBBQJIT-AREMUKBSSA-N 0 0 483.682 4.902 20 0 JJADRN Fc1cc2c(cc1Br)[C@H](Nc1ncnc(C(F)(F)F)c1Br)CO2 ZINC001458338588 1067034527 /nfs/dbraw/zinc/03/45/27/1067034527.db2.gz QMMAFVXBTHHUCZ-MRVPVSSYSA-N 0 0 457.019 4.705 20 0 JJADRN Cc1cc(NC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)nn1-c1cc(C)cc(C)c1 ZINC001458338920 1067034724 /nfs/dbraw/zinc/03/47/24/1067034724.db2.gz FAZJDEQOWGZXLM-UHFFFAOYSA-N 0 0 459.594 4.700 20 0 JJADRN CCOC(=O)c1cn(C)nc1NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC001458340118 1067035012 /nfs/dbraw/zinc/03/50/12/1067035012.db2.gz KNCMTQSOOZYGPU-UHFFFAOYSA-N 0 0 452.461 4.595 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545757169 1067035106 /nfs/dbraw/zinc/03/51/06/1067035106.db2.gz VBPMMEYYMXMDQH-VMXMFDLUSA-N 0 0 477.575 4.856 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(N(CCNC(C)=O)Cc2ccsc2)n1 ZINC001458340562 1067035150 /nfs/dbraw/zinc/03/51/50/1067035150.db2.gz UYCGRCIWKAKLJE-UHFFFAOYSA-N 0 0 452.605 4.709 20 0 JJADRN CCc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)ccc1O ZINC001449903759 1067035636 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/nfs/dbraw/zinc/05/74/55/1067057455.db2.gz SKRFUHNICTXBPF-MRXNPFEDSA-N 0 0 454.260 4.971 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1)SC ZINC001545771224 1067057627 /nfs/dbraw/zinc/05/76/27/1067057627.db2.gz JCAHJMTXWUUNJE-SFHVURJKSA-N 0 0 453.450 4.849 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1)Oc1ccccc1F ZINC001546021015 1067057677 /nfs/dbraw/zinc/05/76/77/1067057677.db2.gz WMCZASBAAKDCNY-GJPOJAMWSA-N 0 0 492.661 4.721 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)N1CCC[C@H](c2ccccn2)C1 ZINC001450183033 1067057770 /nfs/dbraw/zinc/05/77/70/1067057770.db2.gz PLJOKGIRKKSVEA-KRWDZBQOSA-N 0 0 455.967 4.556 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)C1CCOCC1 ZINC001458426366 1067057850 /nfs/dbraw/zinc/05/78/50/1067057850.db2.gz YSDCPNWOCMCFEC-HSZRJFAPSA-N 0 0 452.938 4.643 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)OC ZINC001545771287 1067058029 /nfs/dbraw/zinc/05/80/29/1067058029.db2.gz KRHSLMPMBJYFLZ-TZIWHRDSSA-N 0 0 474.621 4.894 20 0 JJADRN CC[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccc(OC)cc1 ZINC001458428373 1067058264 /nfs/dbraw/zinc/05/82/64/1067058264.db2.gz IZAMYJVAXDDGND-DEOSSOPVSA-N 0 0 451.544 4.755 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1)SC ZINC001545771351 1067058322 /nfs/dbraw/zinc/05/83/22/1067058322.db2.gz MVWQQELLNRFGLX-IBGZPJMESA-N 0 0 483.686 4.877 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@H](C)C1)SC ZINC001545771421 1067058369 /nfs/dbraw/zinc/05/83/69/1067058369.db2.gz OOTNZQQNGUBDGT-IAGOWNOFSA-N 0 0 478.732 4.561 20 0 JJADRN CSc1nc2ncnc(N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)c2s1 ZINC001458431307 1067058767 /nfs/dbraw/zinc/05/87/67/1067058767.db2.gz ODVFQJHJOSYISL-JKSUJKDBSA-N 0 0 475.615 4.835 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](O)c4ccc(OC)cc4)CC3)s2)cc1 ZINC001450194696 1067058881 /nfs/dbraw/zinc/05/88/81/1067058881.db2.gz IXMHJWNLVJMWRY-JOCHJYFZSA-N 0 0 452.576 4.722 20 0 JJADRN COC(=O)c1cnc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1C(F)(F)F ZINC001458430201 1067058944 /nfs/dbraw/zinc/05/89/44/1067058944.db2.gz MKUWQEHMIHFIBC-UHFFFAOYSA-N 0 0 457.493 4.505 20 0 JJADRN O=C(O[C@H](c1cc(Br)cs1)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC001458432937 1067059268 /nfs/dbraw/zinc/05/92/68/1067059268.db2.gz FRIRNSJEGPGAMU-OAHLLOKOSA-N 0 0 450.276 4.808 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC001458436962 1067059725 /nfs/dbraw/zinc/05/97/25/1067059725.db2.gz QVKKSJAOKMEHOZ-NSHDSACASA-N 0 0 454.155 4.698 20 0 JJADRN COc1cc(CNC(=O)c2ccc(C)c(C)n2)cc(Br)c1OCc1ccccc1 ZINC001458437114 1067059790 /nfs/dbraw/zinc/05/97/90/1067059790.db2.gz AXQKIGUCFJOOLP-UHFFFAOYSA-N 0 0 455.352 4.979 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)c3cc(Cl)cc(F)c3Br)CC2)cc1 ZINC001450201184 1067059768 /nfs/dbraw/zinc/05/97/68/1067059768.db2.gz UBTIRWWSXJROAI-LJQANCHMSA-N 0 0 456.739 4.836 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H]1CC)Oc1cccc(F)c1 ZINC001546020413 1067059880 /nfs/dbraw/zinc/05/98/80/1067059880.db2.gz DQMYDIPEELVXPT-CQRJNKKSSA-N 0 0 460.594 4.624 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1CSC)OC ZINC001545771718 1067059928 /nfs/dbraw/zinc/05/99/28/1067059928.db2.gz XXNSYBIFWHYDBS-INIZCTEOSA-N 0 0 470.481 4.583 20 0 JJADRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450202218 1067060049 /nfs/dbraw/zinc/06/00/49/1067060049.db2.gz UHGFLZPOQAZBPI-MJGOQNOKSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC001458438170 1067060281 /nfs/dbraw/zinc/06/02/81/1067060281.db2.gz IUSWLRLBKLTNKB-HNNXBMFYSA-N 0 0 457.155 4.703 20 0 JJADRN COc1cc(F)c(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1F ZINC001545772323 1067060167 /nfs/dbraw/zinc/06/01/67/1067060167.db2.gz VFYQUGLMODEFOZ-UHFFFAOYSA-N 0 0 454.498 4.907 20 0 JJADRN CC[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(OC)cc1 ZINC001458440034 1067060501 /nfs/dbraw/zinc/06/05/01/1067060501.db2.gz YNJYCWLUCJVBCF-NRFANRHFSA-N 0 0 451.972 4.831 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001458439544 1067060585 /nfs/dbraw/zinc/06/05/85/1067060585.db2.gz ZMNZQKAUZYXZFL-JSGCOSHPSA-N 0 0 451.341 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)C1)SC ZINC001545772522 1067060996 /nfs/dbraw/zinc/06/09/96/1067060996.db2.gz CMSDDAAJSCJKNI-ZDUSSCGKSA-N 0 0 458.495 4.899 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)OC ZINC001545772734 1067061343 /nfs/dbraw/zinc/06/13/43/1067061343.db2.gz KJWMJLXKMQWFGC-UHFFFAOYSA-N 0 0 476.065 4.887 20 0 JJADRN O=C(c1ccccc1CCc1ccccc1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450227740 1067061580 /nfs/dbraw/zinc/06/15/80/1067061580.db2.gz LCEWRZDOYKSECT-NRFANRHFSA-N 0 0 451.364 4.923 20 0 JJADRN O=C(c1c(Cl)cccc1OCC1CC1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450227351 1067061648 /nfs/dbraw/zinc/06/16/48/1067061648.db2.gz DZTWUMAJQJSAFL-OAHLLOKOSA-N 0 0 451.748 4.580 20 0 JJADRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1c(O)ccc(Br)c1C ZINC001450228849 1067061723 /nfs/dbraw/zinc/06/17/23/1067061723.db2.gz SALUFDMEZJNWOS-UHFFFAOYSA-N 0 0 457.353 4.883 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545772755 1067061802 /nfs/dbraw/zinc/06/18/02/1067061802.db2.gz LEOMPWWPIOUPGS-GOSISDBHSA-N 0 0 457.619 4.883 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)SC ZINC001545772791 1067061825 /nfs/dbraw/zinc/06/18/25/1067061825.db2.gz MFULGZONNVZJKD-UHFFFAOYSA-N 0 0 495.697 4.609 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545772783 1067061858 /nfs/dbraw/zinc/06/18/58/1067061858.db2.gz LZZNNHZRNXFXIB-IYBDPMFKSA-N 0 0 451.409 4.526 20 0 JJADRN CN(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1c(F)cccc1Cl ZINC001450232268 1067062133 /nfs/dbraw/zinc/06/21/33/1067062133.db2.gz BFGBOZTZSMSLGM-HNAYVOBHSA-N 0 0 453.986 4.520 20 0 JJADRN CCN(CCOc1ccccc1C)c1ncc(C(F)(F)F)cc1I ZINC001458443986 1067062110 /nfs/dbraw/zinc/06/21/10/1067062110.db2.gz NXBXYHFAOSVDNJ-UHFFFAOYSA-N 0 0 450.242 4.919 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1C)OC ZINC001545772802 1067062240 /nfs/dbraw/zinc/06/22/40/1067062240.db2.gz MTTBCPFVSRUWNO-UHFFFAOYSA-N 0 0 493.425 4.730 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CC1)OC ZINC001545772804 1067062282 /nfs/dbraw/zinc/06/22/82/1067062282.db2.gz MWUMYZIMUHCRBN-UHFFFAOYSA-N 0 0 451.409 4.768 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001546021078 1067062790 /nfs/dbraw/zinc/06/27/90/1067062790.db2.gz YBLLYOYKWJHACX-WHLIWEHUSA-N 0 0 474.621 4.871 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cs1 ZINC001450238064 1067062979 /nfs/dbraw/zinc/06/29/79/1067062979.db2.gz LYQJBOZCDCYATN-SFHVURJKSA-N 0 0 458.628 4.532 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC[C@H]1C)SC ZINC001545773000 1067063101 /nfs/dbraw/zinc/06/31/01/1067063101.db2.gz SRGTXPSOOMFCDN-MRXNPFEDSA-N 0 0 450.674 4.826 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1)OC ZINC001545773058 1067063159 /nfs/dbraw/zinc/06/31/59/1067063159.db2.gz UZOVZSAVGWULPX-UHFFFAOYSA-N 0 0 460.619 4.803 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC)CC1)SC ZINC001545773102 1067063435 /nfs/dbraw/zinc/06/34/35/1067063435.db2.gz WSGOHXIMIOLQFM-LJQANCHMSA-N 0 0 491.771 4.822 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1)OC ZINC001545773072 1067063506 /nfs/dbraw/zinc/06/35/06/1067063506.db2.gz VTFIDCGFQZNRCA-IBGZPJMESA-N 0 0 489.020 4.888 20 0 JJADRN C[C@@H](NC(=O)c1cnc2ccc(I)cc2c1O)c1cccc(C2CC2)c1 ZINC001450248101 1067063835 /nfs/dbraw/zinc/06/38/35/1067063835.db2.gz OZBCJUXXROFVMO-GFCCVEGCSA-N 0 0 458.299 4.501 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450249069 1067063881 /nfs/dbraw/zinc/06/38/81/1067063881.db2.gz GIURITHBFIUPLB-BQJUDKOJSA-N 0 0 464.647 4.630 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCCC2=O)CC1)SC ZINC001545774015 1067064503 /nfs/dbraw/zinc/06/45/03/1067064503.db2.gz BEAAFKMKXKIQQP-UHFFFAOYSA-N 0 0 491.105 4.897 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC ZINC001450250695 1067064436 /nfs/dbraw/zinc/06/44/36/1067064436.db2.gz HCGFPRRTEAMYOS-BBRGTYKNSA-N 0 0 458.599 4.603 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001458450353 1067064622 /nfs/dbraw/zinc/06/46/22/1067064622.db2.gz DPIZRFGVBOOCOL-LBPRGKRZSA-N 0 0 452.454 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3cccnc3SC(F)F)C2)C1 ZINC001450254402 1067064796 /nfs/dbraw/zinc/06/47/96/1067064796.db2.gz KMQIYYSYUWEGGR-HOTGVXAUSA-N 0 0 455.571 4.896 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)C2)C1 ZINC001450252796 1067064893 /nfs/dbraw/zinc/06/48/93/1067064893.db2.gz JAZNYZPOFWPCRB-OALUTQOASA-N 0 0 452.542 4.716 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001458450394 1067064747 /nfs/dbraw/zinc/06/47/47/1067064747.db2.gz FHCTUXNRGFLBDP-KRWDZBQOSA-N 0 0 457.979 4.742 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1)OC ZINC001545774111 1067064836 /nfs/dbraw/zinc/06/48/36/1067064836.db2.gz DTHGMYUNCYGKAZ-UHFFFAOYSA-N 0 0 477.934 4.627 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1)SC ZINC001545774114 1067064847 /nfs/dbraw/zinc/06/48/47/1067064847.db2.gz DTRHZRDTQVKSJX-VGOFRKELSA-N 0 0 474.671 4.888 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545774061 1067064859 /nfs/dbraw/zinc/06/48/59/1067064859.db2.gz CJXPPKYBQZYPJV-RXVVDRJESA-N 0 0 487.645 4.508 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1 ZINC001450258453 1067065128 /nfs/dbraw/zinc/06/51/28/1067065128.db2.gz OOBVRYFZFOQCHG-KRWDZBQOSA-N 0 0 458.605 4.699 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1)OC ZINC001545774152 1067065304 /nfs/dbraw/zinc/06/53/04/1067065304.db2.gz FTXDAOKBMGCSED-JOCHJYFZSA-N 0 0 493.446 4.538 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001450258508 1067065361 /nfs/dbraw/zinc/06/53/61/1067065361.db2.gz OTSRWEJUVBUNST-HOTGVXAUSA-N 0 0 454.970 4.987 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2nc(C)nc2C1)SC ZINC001545774236 1067065474 /nfs/dbraw/zinc/06/54/74/1067065474.db2.gz HVVQTDZNUQDDPX-UHFFFAOYSA-N 0 0 464.014 4.580 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451548 1067065639 /nfs/dbraw/zinc/06/56/39/1067065639.db2.gz HOOAKNDMGGOFIZ-LEWJYISDSA-N 0 0 450.957 4.917 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450261845 1067065766 /nfs/dbraw/zinc/06/57/66/1067065766.db2.gz WBKMAJYKFNCPOR-IVAOSVALSA-N 0 0 479.662 4.566 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)OC ZINC001545774226 1067065675 /nfs/dbraw/zinc/06/56/75/1067065675.db2.gz HSCIKUNMKFBRLM-JOCHJYFZSA-N 0 0 454.571 4.638 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1)OC ZINC001545774214 1067065747 /nfs/dbraw/zinc/06/57/47/1067065747.db2.gz HLHPJEYERREJGV-OXQOHEQNSA-N 0 0 451.011 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450261863 1067066261 /nfs/dbraw/zinc/06/62/61/1067066261.db2.gz WBKMAJYKFNCPOR-XSDIEEQYSA-N 0 0 479.662 4.566 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)OC ZINC001545774437 1067066819 /nfs/dbraw/zinc/06/68/19/1067066819.db2.gz PSDXZVCIGYQXKI-LLJLJFOGSA-N 0 0 463.022 4.576 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1)SC ZINC001545774456 1067066964 /nfs/dbraw/zinc/06/69/64/1067066964.db2.gz QASWQZSKMSJHEA-OAQYLSRUSA-N 0 0 451.036 4.516 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545774544 1067067266 /nfs/dbraw/zinc/06/72/66/1067067266.db2.gz SGGBVRUANRTPRL-KDURUIRLSA-N 0 0 460.619 4.560 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@H](C)C1)SC ZINC001545774543 1067067302 /nfs/dbraw/zinc/06/73/02/1067067302.db2.gz SENJPPDJNXQUAQ-MRXNPFEDSA-N 0 0 450.674 4.826 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)c2)cs1 ZINC001450272119 1067067476 /nfs/dbraw/zinc/06/74/76/1067067476.db2.gz FCVVRWJLRBMIDQ-LJQANCHMSA-N 0 0 454.596 4.655 20 0 JJADRN COc1ccc2c(CC(=O)NC[C@@H](Cc3ccccc3)N(C)C(=O)OC(C)(C)C)coc2c1 ZINC001450272142 1067067490 /nfs/dbraw/zinc/06/74/90/1067067490.db2.gz FCWLJPPOGCRFJZ-HXUWFJFHSA-N 0 0 452.551 4.578 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)SC ZINC001545774582 1067067810 /nfs/dbraw/zinc/06/78/10/1067067810.db2.gz ULPMHLINUNQNOD-GOSISDBHSA-N 0 0 458.632 4.919 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC001546021296 1067068033 /nfs/dbraw/zinc/06/80/33/1067068033.db2.gz DJCCUCCEIOZLKC-DQEYMECFSA-N 0 0 450.623 4.999 20 0 JJADRN CNC(=O)[C@H](CNc1nc(-c2cccc(OC)c2)nc2ccccc21)Cc1ccc(F)cc1C ZINC001458456707 1067068070 /nfs/dbraw/zinc/06/80/70/1067068070.db2.gz WGISBBOAPONXJG-FQEVSTJZSA-N 0 0 458.537 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC[C@H]21 ZINC001450275905 1067068209 /nfs/dbraw/zinc/06/82/09/1067068209.db2.gz KWHXDGYVJGRXJV-VDHUWJSZSA-N 0 0 454.489 4.547 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001450277873 1067068223 /nfs/dbraw/zinc/06/82/23/1067068223.db2.gz NEIZCOKRSXGADW-RBBKRZOGSA-N 0 0 458.599 4.686 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2noc(C)n2)C1)OC ZINC001545774707 1067068434 /nfs/dbraw/zinc/06/84/34/1067068434.db2.gz YQUKARCSAULRFU-GOSISDBHSA-N 0 0 495.411 4.726 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC)C1)OC ZINC001545775492 1067068683 /nfs/dbraw/zinc/06/86/83/1067068683.db2.gz AEOXEMNBYKSQFY-INIZCTEOSA-N 0 0 451.409 4.528 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC001545775376 1067068725 /nfs/dbraw/zinc/06/87/25/1067068725.db2.gz WIKMWVUCGTYWRG-UHFFFAOYSA-N 0 0 451.498 4.708 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC001458463818 1067068834 /nfs/dbraw/zinc/06/88/34/1067068834.db2.gz ZGXKHWZHUCCZDZ-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1cnccc1C(F)(F)F ZINC001458462287 1067068856 /nfs/dbraw/zinc/06/88/56/1067068856.db2.gz LPHBVKNIOFWLRG-UHFFFAOYSA-N 0 0 458.061 4.979 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c1 ZINC001450280572 1067068806 /nfs/dbraw/zinc/06/88/06/1067068806.db2.gz WUKOHFDRPMMULD-SSDOTTSWSA-N 0 0 452.658 4.598 20 0 JJADRN COC(=O)[C@@H]1CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C[C@H]1c1ccc(Cl)cc1 ZINC001458464399 1067068943 /nfs/dbraw/zinc/06/89/43/1067068943.db2.gz ZWLTZXFGVJWNNI-DLBZAZTESA-N 0 0 462.859 4.604 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545775693 1067069009 /nfs/dbraw/zinc/06/90/09/1067069009.db2.gz HSPWLQBNUHJCIT-CALCHBBNSA-N 0 0 464.557 4.649 20 0 JJADRN CC(C)(Sc1ccc(Br)cc1)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001450287818 1067069034 /nfs/dbraw/zinc/06/90/34/1067069034.db2.gz AYCGPKDCEOLGMP-CYBMUJFWSA-N 0 0 453.368 4.710 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)c1 ZINC001450284495 1067069221 /nfs/dbraw/zinc/06/92/21/1067069221.db2.gz WFSNPVQBAJPPJL-QFIPXVFZSA-N 0 0 451.611 4.803 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1cc(-c2ccccn2)no1 ZINC001458464566 1067069354 /nfs/dbraw/zinc/06/93/54/1067069354.db2.gz VHQJRWGNUKFQNZ-UHFFFAOYSA-N 0 0 457.111 4.615 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001450288993 1067069366 /nfs/dbraw/zinc/06/93/66/1067069366.db2.gz ARXJXSNLXFQCQZ-NHCUHLMSSA-N 0 0 452.039 4.702 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001450289610 1067069572 /nfs/dbraw/zinc/06/95/72/1067069572.db2.gz ZEDSPMGTUHBBHL-QUCCMNQESA-N 0 0 459.587 4.529 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC001450293066 1067069666 /nfs/dbraw/zinc/06/96/66/1067069666.db2.gz RDBNAFNYAHRHMM-SPYJXWKKSA-N 0 0 455.570 4.660 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001458468027 1067069548 /nfs/dbraw/zinc/06/95/48/1067069548.db2.gz AMRBQDVYFYOCQI-UHFFFAOYSA-N 0 0 451.470 4.755 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1)SC ZINC001545775725 1067069611 /nfs/dbraw/zinc/06/96/11/1067069611.db2.gz IXIJTTPCZYHKFQ-IBGZPJMESA-N 0 0 470.643 4.951 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)[C@@H]3N(C(=O)OCc4ccccc4)CC3(C)C)c2s1 ZINC001450295695 1067069987 /nfs/dbraw/zinc/06/99/87/1067069987.db2.gz IWDYRAVWWNTZOQ-FQEVSTJZSA-N 0 0 452.532 4.674 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545775977 1067070094 /nfs/dbraw/zinc/07/00/94/1067070094.db2.gz RDUOHFQPPCORQN-IBGZPJMESA-N 0 0 487.645 4.510 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)SC ZINC001545776056 1067070281 /nfs/dbraw/zinc/07/02/81/1067070281.db2.gz UNZFCLICWLAIDE-ZWKOTPCHSA-N 0 0 489.711 4.673 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1)OC ZINC001545775989 1067070324 /nfs/dbraw/zinc/07/03/24/1067070324.db2.gz RNCBGOHSAMBIBP-UHFFFAOYSA-N 0 0 469.033 4.834 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@H]1c1ccc(OC)cc1 ZINC001458470021 1067070367 /nfs/dbraw/zinc/07/03/67/1067070367.db2.gz LYIPGRCOHFQBGX-DYESRHJHSA-N 0 0 456.493 4.838 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4)C(=O)C3(C)C)cc2c1Br ZINC001450303358 1067070687 /nfs/dbraw/zinc/07/06/87/1067070687.db2.gz XHSNHPFLVSXXGS-UHFFFAOYSA-N 0 0 454.368 4.502 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001546021650 1067070961 /nfs/dbraw/zinc/07/09/61/1067070961.db2.gz MBQHORPMFOHCSY-DHLKQENFSA-N 0 0 455.620 4.911 20 0 JJADRN Cn1cc([C@@H]2C[C@H](NC(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)cn1 ZINC001450311303 1067071001 /nfs/dbraw/zinc/07/10/01/1067071001.db2.gz QCILYPIIYSADOS-GPXNEJASSA-N 0 0 456.011 4.933 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)O[C@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC001458471917 1067071185 /nfs/dbraw/zinc/07/11/85/1067071185.db2.gz VRWWLZCAPGENJU-SFHVURJKSA-N 0 0 450.347 4.906 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N(C)Cc1csc(Br)c1)OC ZINC001545777931 1067071080 /nfs/dbraw/zinc/07/10/80/1067071080.db2.gz QVDFSOWWOOVJEU-UHFFFAOYSA-N 0 0 466.449 4.949 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545777624 1067071568 /nfs/dbraw/zinc/07/15/68/1067071568.db2.gz IBRMYUFXEFNOQR-UHFFFAOYSA-N 0 0 499.656 4.654 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)cc2)CC1)SC ZINC001545777631 1067071579 /nfs/dbraw/zinc/07/15/79/1067071579.db2.gz IHBCBTYHGDSROC-UHFFFAOYSA-N 0 0 456.635 4.671 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)O[C@@H](C)C2 ZINC001450344350 1067071815 /nfs/dbraw/zinc/07/18/15/1067071815.db2.gz IGASATFAKONSOI-BCRCDCHUSA-N 0 0 450.362 4.669 20 0 JJADRN CC(C)Oc1cccc(CN(C)C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c1 ZINC001458476917 1067072034 /nfs/dbraw/zinc/07/20/34/1067072034.db2.gz NWNWVDUTZJCVHE-XQNSMLJCSA-N 0 0 459.575 4.846 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)O[C@@H](C)C2 ZINC001450344365 1067071877 /nfs/dbraw/zinc/07/18/77/1067071877.db2.gz IGASATFAKONSOI-HAHWVIBASA-N 0 0 450.362 4.669 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccccc2)CC1)SC ZINC001545777689 1067072146 /nfs/dbraw/zinc/07/21/46/1067072146.db2.gz JWYPIJTWZCTYMA-UHFFFAOYSA-N 0 0 480.682 4.558 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCSC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545777818 1067072380 /nfs/dbraw/zinc/07/23/80/1067072380.db2.gz NGNCTNGJFAEPCL-UHFFFAOYSA-N 0 0 474.675 4.755 20 0 JJADRN CCCCc1ccc(C(=O)CCC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC001450350001 1067072789 /nfs/dbraw/zinc/07/27/89/1067072789.db2.gz ODKMFWYCZQMRIN-FQEVSTJZSA-N 0 0 450.348 4.744 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)NC3(Cc4ccccc4Br)CC3)n[nH]2)cc1 ZINC001450349963 1067072804 /nfs/dbraw/zinc/07/28/04/1067072804.db2.gz NRPAQVFNJLUKFY-UHFFFAOYSA-N 0 0 457.397 4.526 20 0 JJADRN CCCCc1ccc(C(=O)CCC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC001450350004 1067072895 /nfs/dbraw/zinc/07/28/95/1067072895.db2.gz ODKMFWYCZQMRIN-HXUWFJFHSA-N 0 0 450.348 4.744 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)OC ZINC001545777992 1067072896 /nfs/dbraw/zinc/07/28/96/1067072896.db2.gz SUGAMGFLHLNKML-RTWAWAEBSA-N 0 0 456.631 4.802 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)SC ZINC001545778124 1067073192 /nfs/dbraw/zinc/07/31/92/1067073192.db2.gz XSJAJTCAVMKWHY-UHFFFAOYSA-N 0 0 484.714 4.881 20 0 JJADRN CCO/C=C\[C@@](O)(CNC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001450360118 1067073414 /nfs/dbraw/zinc/07/34/14/1067073414.db2.gz ZOVVWMAJFOMGMW-JTGQJZMRSA-N 0 0 453.244 4.530 20 0 JJADRN CCOC(=O)CCc1cc(N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)nc(C)n1 ZINC001458485514 1067073488 /nfs/dbraw/zinc/07/34/88/1067073488.db2.gz YOHQBDBPPKHDCD-QFIPXVFZSA-N 0 0 451.489 4.781 20 0 JJADRN Cc1nc([C@H](NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)c2cnn(C)c2)no1 ZINC001450367169 1067073531 /nfs/dbraw/zinc/07/35/31/1067073531.db2.gz XRIJBMCCAHQZCB-MFWOZEHOSA-N 0 0 460.365 4.523 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N1CC[C@H](SC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001450365389 1067073834 /nfs/dbraw/zinc/07/38/34/1067073834.db2.gz JCIVDJFKXLGBSJ-IBGZPJMESA-N 0 0 456.995 4.807 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3cc(F)ccc3C)c2)cc1 ZINC001458491539 1067073839 /nfs/dbraw/zinc/07/38/39/1067073839.db2.gz MMPKDLBRHJSFQY-QGZVFWFLSA-N 0 0 457.523 4.886 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC001458492341 1067073994 /nfs/dbraw/zinc/07/39/94/1067073994.db2.gz ROAAXFIAYIYKTM-UHFFFAOYSA-N 0 0 453.468 4.900 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1)SC ZINC001545779436 1067074490 /nfs/dbraw/zinc/07/44/90/1067074490.db2.gz OCPDEMNUARIXPT-APWZRJJASA-N 0 0 460.673 4.628 20 0 JJADRN CCOC(=O)c1sc2ncnc(N3CCc4ccc(F)c(Br)c4C3)c2c1C ZINC001458495586 1067074638 /nfs/dbraw/zinc/07/46/38/1067074638.db2.gz OENCEPSOBZGYCA-UHFFFAOYSA-N 0 0 450.333 4.641 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)cc2C1 ZINC001450381217 1067074743 /nfs/dbraw/zinc/07/47/43/1067074743.db2.gz PGZVONSVSXETDV-CYBMUJFWSA-N 0 0 455.356 4.717 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450382070 1067074865 /nfs/dbraw/zinc/07/48/65/1067074865.db2.gz CKVLBARKFNHNPS-CQSZACIVSA-N 0 0 454.876 4.763 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001450381272 1067075044 /nfs/dbraw/zinc/07/50/44/1067075044.db2.gz PVLHKQFCOULVKN-GOSISDBHSA-N 0 0 450.340 4.733 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c2)cc1 ZINC001450384697 1067075126 /nfs/dbraw/zinc/07/51/26/1067075126.db2.gz IUGOEPOTXOHPNV-UHFFFAOYSA-N 0 0 451.567 4.620 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)s1 ZINC001450393347 1067075322 /nfs/dbraw/zinc/07/53/22/1067075322.db2.gz DTPPMPIYADBRPL-UHFFFAOYSA-N 0 0 455.621 4.933 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001545780320 1067075401 /nfs/dbraw/zinc/07/54/01/1067075401.db2.gz SFIAQKDZNFVHCH-UHFFFAOYSA-N 0 0 455.769 4.677 20 0 JJADRN COC(=O)c1cnc(NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)c(Cl)c1 ZINC001458498923 1067075362 /nfs/dbraw/zinc/07/53/62/1067075362.db2.gz INOHCIZJHZVACM-UHFFFAOYSA-N 0 0 456.926 4.772 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450389495 1067075580 /nfs/dbraw/zinc/07/55/80/1067075580.db2.gz WYPJJWVPTOBVKY-UHFFFAOYSA-N 0 0 459.262 4.777 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC001450399375 1067075794 /nfs/dbraw/zinc/07/57/94/1067075794.db2.gz RLYSAEXEJJHQBZ-INIZCTEOSA-N 0 0 454.514 4.880 20 0 JJADRN COc1cc2ncc(C(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)c(O)c2c(OC)c1 ZINC001450400138 1067075885 /nfs/dbraw/zinc/07/58/85/1067075885.db2.gz XNLMPDITYUYUNT-QGZVFWFLSA-N 0 0 454.954 4.826 20 0 JJADRN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)COC(c2ccccc2)c2ccccc2)c1 ZINC001458502297 1067076232 /nfs/dbraw/zinc/07/62/32/1067076232.db2.gz SBLPTVIOTMBSJN-UHFFFAOYSA-N 0 0 455.514 4.712 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450399871 1067076254 /nfs/dbraw/zinc/07/62/54/1067076254.db2.gz FEJAVAYEDQEGBC-QZTJIDSGSA-N 0 0 458.521 4.933 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC001450399380 1067076344 /nfs/dbraw/zinc/07/63/44/1067076344.db2.gz RLYSAEXEJJHQBZ-MRXNPFEDSA-N 0 0 454.514 4.880 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCOC1)SC ZINC001545780866 1067076285 /nfs/dbraw/zinc/07/62/85/1067076285.db2.gz LQVMJLNCLYKWQJ-FQEVSTJZSA-N 0 0 468.671 4.915 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@](C)(OC)CC1)SC ZINC001545780754 1067076361 /nfs/dbraw/zinc/07/63/61/1067076361.db2.gz GUYGILDMDPLIFD-VWLOTQADSA-N 0 0 498.697 4.509 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001450403888 1067076790 /nfs/dbraw/zinc/07/67/90/1067076790.db2.gz DZHIGPFYJASATA-IFMALSPDSA-N 0 0 458.599 4.686 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(F)c2)C1)OC ZINC001545780941 1067076633 /nfs/dbraw/zinc/07/66/33/1067076633.db2.gz ODEXEHWSOGOFCD-QFIPXVFZSA-N 0 0 453.562 4.571 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1)OC ZINC001545780940 1067076747 /nfs/dbraw/zinc/07/67/47/1067076747.db2.gz ODEXEHWSOGOFCD-JOCHJYFZSA-N 0 0 453.562 4.571 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2ccnn2C)C1)SC ZINC001545781025 1067077024 /nfs/dbraw/zinc/07/70/24/1067077024.db2.gz QNKOMDTXAKLGRE-IBGZPJMESA-N 0 0 453.660 4.688 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H]1C)OC ZINC001545780994 1067077039 /nfs/dbraw/zinc/07/70/39/1067077039.db2.gz PWXLSEGHJFOTGG-RTBURBONSA-N 0 0 466.630 4.676 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 ZINC001450405515 1067077173 /nfs/dbraw/zinc/07/71/73/1067077173.db2.gz GQVPDLZWPZBKLT-INIZCTEOSA-N 0 0 454.514 4.880 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C)C1)OC ZINC001545781176 1067077243 /nfs/dbraw/zinc/07/72/43/1067077243.db2.gz VNBQNMGYIUMWCD-RTBURBONSA-N 0 0 466.630 4.533 20 0 JJADRN Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)nn1CCCOc1ccc(F)cc1 ZINC001458505481 1067077642 /nfs/dbraw/zinc/07/76/42/1067077642.db2.gz JYOPVPLTRZSVST-ZHRRBRCNSA-N 0 0 450.514 4.647 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)OC ZINC001545781296 1067077536 /nfs/dbraw/zinc/07/75/36/1067077536.db2.gz ZRFAHRDMVVROBS-UHFFFAOYSA-N 0 0 485.579 4.620 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)nn1CCCOc1ccc(F)cc1 ZINC001458505513 1067077760 /nfs/dbraw/zinc/07/77/60/1067077760.db2.gz KOTCVZHQMNPSAC-UHFFFAOYSA-N 0 0 451.477 4.685 20 0 JJADRN CC(C)[C@H](OC(=O)c1cc(I)nn1C)c1cccc(C(F)(F)F)c1 ZINC001458505642 1067077880 /nfs/dbraw/zinc/07/78/80/1067077880.db2.gz LQZZYPOHSCDBNU-AWEZNQCLSA-N 0 0 452.214 4.598 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1)SC ZINC001545782451 1067078062 /nfs/dbraw/zinc/07/80/62/1067078062.db2.gz NLQLMTXWEMKDOE-NRFANRHFSA-N 0 0 470.687 4.540 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)SC ZINC001545782817 1067078376 /nfs/dbraw/zinc/07/83/76/1067078376.db2.gz WWTCNSDUDFHLGI-KRWDZBQOSA-N 0 0 487.567 4.945 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1ccccc1OCc1ccccc1 ZINC001458508263 1067078341 /nfs/dbraw/zinc/07/83/41/1067078341.db2.gz STTNHEIEALAXJB-ILWGZMRPSA-N 0 0 453.579 4.970 20 0 JJADRN C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1ccccc1OCc1ccccc1 ZINC001458508265 1067078438 /nfs/dbraw/zinc/07/84/38/1067078438.db2.gz STTNHEIEALAXJB-KSEOMHKRSA-N 0 0 453.579 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001450414979 1067078482 /nfs/dbraw/zinc/07/84/82/1067078482.db2.gz QYIUQHPPIXVKDJ-BDTNDASRSA-N 0 0 452.599 4.570 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1)SC ZINC001545783758 1067078779 /nfs/dbraw/zinc/07/87/79/1067078779.db2.gz BMVQAKYJRJYVKP-HXUWFJFHSA-N 0 0 458.672 4.974 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCCN3Cc3cccc(F)c3)CC2)cc1 ZINC001450418033 1067078917 /nfs/dbraw/zinc/07/89/17/1067078917.db2.gz VCNBWKOKUBJXRT-CLJLJLNGSA-N 0 0 454.586 4.551 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3CC)CC2)cc1 ZINC001450416288 1067079173 /nfs/dbraw/zinc/07/91/73/1067079173.db2.gz SWDKUNGWKHFFOQ-VWLOTQADSA-N 0 0 451.542 4.558 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21)OC ZINC001545783805 1067079246 /nfs/dbraw/zinc/07/92/46/1067079246.db2.gz CNYVCEMAMMOHME-HKBOAZHASA-N 0 0 475.678 4.977 20 0 JJADRN C[C@@H]1CC[C@H](OC(=O)c2ccc(Br)c(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC001458516640 1067079518 /nfs/dbraw/zinc/07/95/18/1067079518.db2.gz HYAHGNAHULCQLV-PBHICJAKSA-N 0 0 452.370 4.620 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CC(F)(c3ccccc3F)C2)cc1 ZINC001450422198 1067079831 /nfs/dbraw/zinc/07/98/31/1067079831.db2.gz KZALJRFPFKJFGD-UHFFFAOYSA-N 0 0 459.539 4.701 20 0 JJADRN COc1ccccc1-c1cc(CNc2ncnc3c2c(Br)nn3C(C)(C)C)on1 ZINC001458520314 1067079988 /nfs/dbraw/zinc/07/99/88/1067079988.db2.gz WQDGNULCEFCMQL-UHFFFAOYSA-N 0 0 457.332 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC001450421940 1067080089 /nfs/dbraw/zinc/08/00/89/1067080089.db2.gz ZDLVDNQKNSMIKP-PKOBYXMFSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)OC ZINC001545784131 1067080050 /nfs/dbraw/zinc/08/00/50/1067080050.db2.gz LTLVUWJIXWSLSF-SFHVURJKSA-N 0 0 461.601 4.912 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)SC ZINC001545784166 1067080067 /nfs/dbraw/zinc/08/00/67/1067080067.db2.gz MONKVJNSZOPSGI-PMACEKPBSA-N 0 0 475.678 4.948 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001546022805 1067080250 /nfs/dbraw/zinc/08/02/50/1067080250.db2.gz NXJNPSUNWBFQTC-UHFFFAOYSA-N 0 0 457.363 4.740 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545784207 1067080297 /nfs/dbraw/zinc/08/02/97/1067080297.db2.gz NBSNLWGZAJPTDC-RTWAWAEBSA-N 0 0 493.693 4.855 20 0 JJADRN O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450437272 1067080455 /nfs/dbraw/zinc/08/04/55/1067080455.db2.gz PULGVZDVXZIOMD-JYFHCDHNSA-N 0 0 452.957 4.935 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCS[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784357 1067080315 /nfs/dbraw/zinc/08/03/15/1067080315.db2.gz REUWHGJDPFZKFK-QZTJIDSGSA-N 0 0 467.680 4.545 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CC[C@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784329 1067080341 /nfs/dbraw/zinc/08/03/41/1067080341.db2.gz QRJGENFRAQDZSO-DEOSSOPVSA-N 0 0 461.651 4.636 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784358 1067080379 /nfs/dbraw/zinc/08/03/79/1067080379.db2.gz REUWHGJDPFZKFK-ROUUACIJSA-N 0 0 467.680 4.545 20 0 JJADRN CCCCCn1cc(CNC(=O)Cc2ccc(Br)c(Br)c2)c(C)n1 ZINC001458524593 1067080691 /nfs/dbraw/zinc/08/06/91/1067080691.db2.gz BWUMARMHXLLNMM-UHFFFAOYSA-N 0 0 457.210 4.766 20 0 JJADRN C[C@H](NC(=O)CCc1cncc2ccccc21)c1ccc(Br)cc1OCCCO ZINC001450442334 1067080739 /nfs/dbraw/zinc/08/07/39/1067080739.db2.gz FPUIMKKHXKRKQS-INIZCTEOSA-N 0 0 457.368 4.569 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)SC ZINC001545784644 1067081309 /nfs/dbraw/zinc/08/13/09/1067081309.db2.gz XPQXGHNRJMZBDX-AABGKKOBSA-N 0 0 495.734 4.522 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)OC ZINC001545784530 1067081364 /nfs/dbraw/zinc/08/13/64/1067081364.db2.gz VHVMNCSHDFWWAZ-UXHICEINSA-N 0 0 461.676 4.835 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1cc2ccccc2s1 ZINC001458527683 1067081622 /nfs/dbraw/zinc/08/16/22/1067081622.db2.gz OZZIWRPICZWREZ-INIZCTEOSA-N 0 0 457.349 4.659 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cn1 ZINC001458526902 1067081653 /nfs/dbraw/zinc/08/16/53/1067081653.db2.gz NDHWGFTZCJHIFM-QHCPKHFHSA-N 0 0 454.615 4.815 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1)SC ZINC001545784704 1067081775 /nfs/dbraw/zinc/08/17/75/1067081775.db2.gz ZLEFIAUVYLOLAK-GOSISDBHSA-N 0 0 464.705 4.615 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(N2CCCc3ccccc32)cc1 ZINC001450453676 1067081811 /nfs/dbraw/zinc/08/18/11/1067081811.db2.gz PORKZTUGRPJANN-JOCHJYFZSA-N 0 0 451.364 4.997 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001546023094 1067082229 /nfs/dbraw/zinc/08/22/29/1067082229.db2.gz WCJNPMUTRNQCHX-IIDMSEBBSA-N 0 0 458.500 4.743 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2ccnc2C)CCO1 ZINC001546101798 1067082682 /nfs/dbraw/zinc/08/26/82/1067082682.db2.gz LOIQHEFZJJELRE-QHCPKHFHSA-N 0 0 493.439 4.764 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC001458531796 1067082763 /nfs/dbraw/zinc/08/27/63/1067082763.db2.gz FPPADPOJYXLWHZ-IBGZPJMESA-N 0 0 454.311 4.861 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C)SC ZINC001545786865 1067082807 /nfs/dbraw/zinc/08/28/07/1067082807.db2.gz YOSWUJDPSAJBOX-IBGZPJMESA-N 0 0 482.691 4.656 20 0 JJADRN Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3cc(C(C)C)cc(C(C)C)c3O)CC2)c1 ZINC001545787223 1067082840 /nfs/dbraw/zinc/08/28/40/1067082840.db2.gz JBSBMELUTQFXMT-UHFFFAOYSA-N 0 0 452.595 4.619 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)OC1CCCC1)SC ZINC001545786699 1067082920 /nfs/dbraw/zinc/08/29/20/1067082920.db2.gz UZHVBDPWIAKAAB-UHFFFAOYSA-N 0 0 473.691 4.684 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)SC ZINC001545787952 1067083361 /nfs/dbraw/zinc/08/33/61/1067083361.db2.gz CLPBMJWFTYFRQY-IBGZPJMESA-N 0 0 475.678 4.623 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1)SC ZINC001545788234 1067084034 /nfs/dbraw/zinc/08/40/34/1067084034.db2.gz NOQXYGUQLVJRPV-UHFFFAOYSA-N 0 0 469.699 4.548 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)OC ZINC001545788273 1067084299 /nfs/dbraw/zinc/08/42/99/1067084299.db2.gz ORXHAEQAEXKVOE-FQEVSTJZSA-N 0 0 473.618 4.556 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc([S@](C)=O)cc1 ZINC001458538396 1067084360 /nfs/dbraw/zinc/08/43/60/1067084360.db2.gz PSXGSMOLFUKRIO-MKTHODDLSA-N 0 0 455.963 4.565 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCCOC1)SC ZINC001545788324 1067084710 /nfs/dbraw/zinc/08/47/10/1067084710.db2.gz QFCWOGQPFULKPQ-QGZVFWFLSA-N 0 0 452.615 4.932 20 0 JJADRN CON(C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCOc2ccccc21 ZINC001546023347 1067084614 /nfs/dbraw/zinc/08/46/14/1067084614.db2.gz BXHAOUSJEUUSMN-GOSISDBHSA-N 0 0 458.580 4.959 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/c1cccnc1 ZINC001450492876 1067085176 /nfs/dbraw/zinc/08/51/76/1067085176.db2.gz HKSGTGNPSLYKED-NURAEYDSSA-N 0 0 455.558 4.918 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4c(Cl)cccc4S(C)(=O)=O)cc3)ccc2O1 ZINC001458543313 1067085312 /nfs/dbraw/zinc/08/53/12/1067085312.db2.gz VGADOJMAFTXPDL-HNNXBMFYSA-N 0 0 455.963 4.664 20 0 JJADRN CC[C@H](CSc1ccccc1)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 ZINC001546023539 1067085282 /nfs/dbraw/zinc/08/52/82/1067085282.db2.gz HHUAQXYLSYCTTN-MRXNPFEDSA-N 0 0 455.605 4.639 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545789271 1067085352 /nfs/dbraw/zinc/08/53/52/1067085352.db2.gz AVSUWVVWIHEPIC-RTWAWAEBSA-N 0 0 483.657 4.950 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545789270 1067085441 /nfs/dbraw/zinc/08/54/41/1067085441.db2.gz AVSUWVVWIHEPIC-NHCUHLMSSA-N 0 0 483.657 4.950 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(Br)cc2cccnc21 ZINC001458546825 1067085515 /nfs/dbraw/zinc/08/55/15/1067085515.db2.gz GTFHPDXXQYGAAL-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN O=c1c(Cl)c(N2CCC[C@@](F)(c3ccccc3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458546765 1067085765 /nfs/dbraw/zinc/08/57/65/1067085765.db2.gz NFGAWCVISSHHEB-FQEVSTJZSA-N 0 0 452.839 4.765 20 0 JJADRN COc1ccc(OC)c(CCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 ZINC001458547165 1067085838 /nfs/dbraw/zinc/08/58/38/1067085838.db2.gz MJMKNUDKUIYKOL-UHFFFAOYSA-N 0 0 452.599 4.998 20 0 JJADRN CCc1nc2sccc2c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001458548817 1067085946 /nfs/dbraw/zinc/08/59/46/1067085946.db2.gz ZZJUTGAUUKNINE-RBUKOAKNSA-N 0 0 454.596 4.759 20 0 JJADRN CCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc(OCC)c1OCC ZINC001450523068 1067085962 /nfs/dbraw/zinc/08/59/62/1067085962.db2.gz MKSYVBFAVQRTIX-UHFFFAOYSA-N 0 0 454.611 4.964 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001450524703 1067086124 /nfs/dbraw/zinc/08/61/24/1067086124.db2.gz QFLUSQQCBFJQFC-QGZVFWFLSA-N 0 0 450.549 4.634 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)SC ZINC001545789794 1067086638 /nfs/dbraw/zinc/08/66/38/1067086638.db2.gz UBBIKGBMZWXXSQ-OAQYLSRUSA-N 0 0 498.741 4.661 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)Nc2ccc(C3CCC3)cn2)cc1OC ZINC001450530776 1067086834 /nfs/dbraw/zinc/08/68/34/1067086834.db2.gz CSPZIMRAGBAWLD-UHFFFAOYSA-N 0 0 451.548 4.861 20 0 JJADRN CCC(CC)(Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)(C)C)CC1)OC ZINC001545789828 1067086927 /nfs/dbraw/zinc/08/69/27/1067086927.db2.gz VPJLFRLGIGZIPC-UHFFFAOYSA-N 0 0 468.646 4.506 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001545789905 1067086968 /nfs/dbraw/zinc/08/69/68/1067086968.db2.gz XVBBYBOGJRGLIQ-UHFFFAOYSA-N 0 0 478.460 4.930 20 0 JJADRN COCCOc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)nc2ccccc21 ZINC001450533842 1067087064 /nfs/dbraw/zinc/08/70/64/1067087064.db2.gz MOXCGMAVCWTBMD-SAABIXHNSA-N 0 0 455.352 4.699 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc2c(c(Br)c1)OCO2 ZINC001450533882 1067087205 /nfs/dbraw/zinc/08/72/05/1067087205.db2.gz NHSRWBJXUNXRAL-YEORSEQZSA-N 0 0 453.130 4.616 20 0 JJADRN COc1ccccc1[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001458557514 1067087342 /nfs/dbraw/zinc/08/73/42/1067087342.db2.gz LPTINEVTACIYOW-SFHVURJKSA-N 0 0 459.608 4.698 20 0 JJADRN COc1cc2cc(C(=O)Nc3ccc4cccc(Br)c4n3)[nH]c2c(OC)c1OC ZINC001545790572 1067087408 /nfs/dbraw/zinc/08/74/08/1067087408.db2.gz QQLMAKWMDDVRLI-UHFFFAOYSA-N 0 0 456.296 4.757 20 0 JJADRN COc1ccccc1[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC001458556459 1067087393 /nfs/dbraw/zinc/08/73/93/1067087393.db2.gz GVDNNRAQYOAJNG-CVEARBPZSA-N 0 0 451.972 4.687 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(N4CCCCC4=O)cc3)n2)n1 ZINC001450536044 1067087518 /nfs/dbraw/zinc/08/75/18/1067087518.db2.gz COBQGBZOZLEEGJ-KRWDZBQOSA-N 0 0 451.958 4.545 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)ccc1O ZINC001450536756 1067087691 /nfs/dbraw/zinc/08/76/91/1067087691.db2.gz QSDKRAWLOFBSDQ-UHFFFAOYSA-N 0 0 457.486 4.683 20 0 JJADRN CCOc1ccc([C@@H](C)OC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cc1 ZINC001458560607 1067087762 /nfs/dbraw/zinc/08/77/62/1067087762.db2.gz JBQIGJJBWCPTMT-QGZVFWFLSA-N 0 0 459.498 4.808 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001450540808 1067088052 /nfs/dbraw/zinc/08/80/52/1067088052.db2.gz CGIWQHSZYZKKPV-CYBMUJFWSA-N 0 0 455.477 4.773 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2N)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001450540745 1067088070 /nfs/dbraw/zinc/08/80/70/1067088070.db2.gz LNYAAISBUGFURS-KRWDZBQOSA-N 0 0 457.509 4.645 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Cc3nnc[nH]3)cc2)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001450539460 1067088127 /nfs/dbraw/zinc/08/81/27/1067088127.db2.gz KOPRKYPKZRZAAC-QGZVFWFLSA-N 0 0 457.509 4.586 20 0 JJADRN O=C(O[C@@H](c1csc2ccccc21)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001458565418 1067088223 /nfs/dbraw/zinc/08/82/23/1067088223.db2.gz QNXRMXNDEFVPSB-KRWDZBQOSA-N 0 0 459.467 4.739 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545791304 1067088426 /nfs/dbraw/zinc/08/84/26/1067088426.db2.gz NTZUIIZYCAUPBC-UHFFFAOYSA-N 0 0 496.681 4.694 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)SC ZINC001545791435 1067088706 /nfs/dbraw/zinc/08/87/06/1067088706.db2.gz RYDVQZXVNCELKA-UHFFFAOYSA-N 0 0 454.566 4.524 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCCN(c2nc(C)ns2)CC1)SC ZINC001545791375 1067088850 /nfs/dbraw/zinc/08/88/50/1067088850.db2.gz QGSFQIHDQNSSII-UHFFFAOYSA-N 0 0 499.754 4.862 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC001458569026 1067089029 /nfs/dbraw/zinc/08/90/29/1067089029.db2.gz WCOYSXSXXWTDFQ-WOJBJXKFSA-N 0 0 451.523 4.675 20 0 JJADRN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC001450544787 1067089007 /nfs/dbraw/zinc/08/90/07/1067089007.db2.gz NFKDLIIARRXPCR-UHFFFAOYSA-N 0 0 455.294 4.825 20 0 JJADRN CC(C)Oc1ccc([C@H](CNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])[NH+](C)C)cc1 ZINC001450543117 1067089177 /nfs/dbraw/zinc/08/91/77/1067089177.db2.gz MGQMUMXFCBMZOW-QHCPKHFHSA-N 0 0 450.583 4.521 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545791529 1067089151 /nfs/dbraw/zinc/08/91/51/1067089151.db2.gz WJUOCHHVUYSPKP-LJQANCHMSA-N 0 0 477.675 4.629 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)OC ZINC001545791488 1067089266 /nfs/dbraw/zinc/08/92/66/1067089266.db2.gz UHGWOPFUAVLPPG-UHFFFAOYSA-N 0 0 463.667 4.521 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)OC ZINC001545791446 1067089326 /nfs/dbraw/zinc/08/93/26/1067089326.db2.gz SJNXMLNPGBTFFR-NRFANRHFSA-N 0 0 491.608 4.695 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545791506 1067089339 /nfs/dbraw/zinc/08/93/39/1067089339.db2.gz VBSNUMFHAGPFJJ-FQEVSTJZSA-N 0 0 491.702 4.875 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)n1 ZINC001458570542 1067089533 /nfs/dbraw/zinc/08/95/33/1067089533.db2.gz IRJHYHWTDCZFBJ-LJQANCHMSA-N 0 0 454.571 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cnc(-c4ccccc4)s3)cn2)C1 ZINC001545791669 1067089593 /nfs/dbraw/zinc/08/95/93/1067089593.db2.gz BLKFGSPBMSQTDS-GOSISDBHSA-N 0 0 453.568 4.831 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC001450548669 1067089634 /nfs/dbraw/zinc/08/96/34/1067089634.db2.gz OWVLYZSAECTKMY-LJQANCHMSA-N 0 0 450.583 4.903 20 0 JJADRN CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001545792510 1067090005 /nfs/dbraw/zinc/09/00/05/1067090005.db2.gz CDNKWAFGBKVSIP-UHFFFAOYSA-N 0 0 469.674 4.825 20 0 JJADRN COc1c(N)c(C(=O)N(OC)[C@H]2CCCOc3ccccc32)cc(Cl)c1Br ZINC001546024098 1067090067 /nfs/dbraw/zinc/09/00/67/1067090067.db2.gz VQRMMSVQFAXQJA-AWEZNQCLSA-N 0 0 455.736 4.611 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450549891 1067090226 /nfs/dbraw/zinc/09/02/26/1067090226.db2.gz KATZTTRSEKOQOW-CRAIPNDOSA-N 0 0 457.398 4.629 20 0 JJADRN CCC(CC)(Cn1c(CCCc2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)OC ZINC001545792461 1067090101 /nfs/dbraw/zinc/09/01/01/1067090101.db2.gz ATPIUVULOUNZDK-UHFFFAOYSA-N 0 0 498.741 4.662 20 0 JJADRN CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)SC ZINC001545792467 1067090195 /nfs/dbraw/zinc/09/01/95/1067090195.db2.gz AWSQJDFYVPCFTC-UHFFFAOYSA-N 0 0 487.714 4.782 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001450552769 1067090394 /nfs/dbraw/zinc/09/03/94/1067090394.db2.gz YDFGUPUNCOSXLZ-PZJWPPBQSA-N 0 0 451.828 4.882 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC001450551403 1067090688 /nfs/dbraw/zinc/09/06/88/1067090688.db2.gz JXLNPUVQDULACY-UHFFFAOYSA-N 0 0 458.534 4.866 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545792737 1067090771 /nfs/dbraw/zinc/09/07/71/1067090771.db2.gz KLJYKSFQCGXQIP-UYAOXDASSA-N 0 0 487.693 4.848 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001545792761 1067090926 /nfs/dbraw/zinc/09/09/26/1067090926.db2.gz LSSQGISJLXKFSQ-UHFFFAOYSA-N 0 0 495.491 4.805 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cc2ccccc2)C1)SC ZINC001545792757 1067090985 /nfs/dbraw/zinc/09/09/85/1067090985.db2.gz LPIJEZRFOVZCHH-HSZRJFAPSA-N 0 0 482.698 4.509 20 0 JJADRN CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1)OC ZINC001545792766 1067091008 /nfs/dbraw/zinc/09/10/08/1067091008.db2.gz LXYASROIVSRXKW-UHFFFAOYSA-N 0 0 492.546 4.606 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]2CC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545792778 1067091024 /nfs/dbraw/zinc/09/10/24/1067091024.db2.gz MIXAXCHJJIMURW-RTWAWAEBSA-N 0 0 485.677 4.602 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cccc(C)c2)C1)SC ZINC001545792845 1067091341 /nfs/dbraw/zinc/09/13/41/1067091341.db2.gz OGOZAFDRURJQRK-NRFANRHFSA-N 0 0 455.672 4.625 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c(C)c1OC ZINC001450559726 1067091285 /nfs/dbraw/zinc/09/12/85/1067091285.db2.gz CMNLZAULQKODOD-LAUBAEHRSA-N 0 0 454.567 4.724 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c(C)c1OC ZINC001450559733 1067091395 /nfs/dbraw/zinc/09/13/95/1067091395.db2.gz CMNLZAULQKODOD-UTKZUKDTSA-N 0 0 454.567 4.724 20 0 JJADRN CCC(CC)(Cn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1)OC ZINC001545793000 1067091606 /nfs/dbraw/zinc/09/16/06/1067091606.db2.gz SVWIQRNDMWNHQU-UHFFFAOYSA-N 0 0 468.564 4.552 20 0 JJADRN CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1)SC ZINC001545793139 1067091805 /nfs/dbraw/zinc/09/18/05/1067091805.db2.gz XHCZLSRYPHCICJ-HXUWFJFHSA-N 0 0 469.655 4.592 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001546024310 1067091885 /nfs/dbraw/zinc/09/18/85/1067091885.db2.gz AFZVXABBJUAQBF-NRFANRHFSA-N 0 0 454.571 4.756 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cncnc2)cc1F ZINC001458593963 1067092139 /nfs/dbraw/zinc/09/21/39/1067092139.db2.gz NWAQCJIBCNAPIR-UHFFFAOYSA-N 0 0 457.387 4.678 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546102256 1067092212 /nfs/dbraw/zinc/09/22/12/1067092212.db2.gz UXRDUIIQZKFOMY-VBURHUQHSA-N 0 0 496.077 4.817 20 0 JJADRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001450589278 1067092442 /nfs/dbraw/zinc/09/24/42/1067092442.db2.gz NGAHPZUMKGVWDM-CVEARBPZSA-N 0 0 452.523 4.596 20 0 JJADRN CC(=O)c1cccc(NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1O ZINC001450594192 1067092818 /nfs/dbraw/zinc/09/28/18/1067092818.db2.gz FISPYYAITSPNIL-UHFFFAOYSA-N 0 0 459.568 4.727 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)SC ZINC001545794530 1067092856 /nfs/dbraw/zinc/09/28/56/1067092856.db2.gz GDPDTMVYJSMQRC-QUCCMNQESA-N 0 0 462.635 4.923 20 0 JJADRN C[C@H](OC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458602208 1067092945 /nfs/dbraw/zinc/09/29/45/1067092945.db2.gz CDAQKHMNZKADGH-ZDUSSCGKSA-N 0 0 459.461 4.983 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545794616 1067092948 /nfs/dbraw/zinc/09/29/48/1067092948.db2.gz JASXUIUUKFNXKO-UHFFFAOYSA-N 0 0 470.017 4.982 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(COC)CC1)OC ZINC001545794562 1067092984 /nfs/dbraw/zinc/09/29/84/1067092984.db2.gz HDUZPRNDGYLFLO-BGYRXZFFSA-N 0 0 493.693 4.507 20 0 JJADRN CON(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001450595485 1067093299 /nfs/dbraw/zinc/09/32/99/1067093299.db2.gz SPIWFSWETVSUCK-UHFFFAOYSA-N 0 0 454.876 4.801 20 0 JJADRN O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cc(Cl)c2c(c1)OCCCO2 ZINC001458606289 1067093305 /nfs/dbraw/zinc/09/33/05/1067093305.db2.gz VLPAJVMOTFHEEA-UHFFFAOYSA-N 0 0 454.697 4.746 20 0 JJADRN O=C(CCCc1ccc(Br)cc1)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001458604204 1067093465 /nfs/dbraw/zinc/09/34/65/1067093465.db2.gz OQJUGWFHBXMOKQ-UHFFFAOYSA-N 0 0 452.711 4.888 20 0 JJADRN O=C(c1ccc(-c2cccc(F)c2)s1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC001458605030 1067093492 /nfs/dbraw/zinc/09/34/92/1067093492.db2.gz JQZRUQKOIUITKO-LJQANCHMSA-N 0 0 459.340 4.630 20 0 JJADRN O=C(NCC1CCN(CC(F)F)CC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC001450598986 1067093798 /nfs/dbraw/zinc/09/37/98/1067093798.db2.gz OCASSMIDOYSDCJ-UHFFFAOYSA-N 0 0 458.940 4.900 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccc(OC)cc1 ZINC001458606653 1067093792 /nfs/dbraw/zinc/09/37/92/1067093792.db2.gz ZNJZSGZGJDDQAQ-SBUREZEXSA-N 0 0 458.942 4.796 20 0 JJADRN Cc1ccc(CC(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)c(Br)c1 ZINC001458607097 1067093851 /nfs/dbraw/zinc/09/38/51/1067093851.db2.gz YEZCYVXLXUDBGS-UHFFFAOYSA-N 0 0 455.139 4.931 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)SC ZINC001545794907 1067094131 /nfs/dbraw/zinc/09/41/31/1067094131.db2.gz RMNGERKPKZYOIS-LEWJYISDSA-N 0 0 458.672 4.950 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001450604474 1067094220 /nfs/dbraw/zinc/09/42/20/1067094220.db2.gz FOTQEFAGESZPGZ-INIZCTEOSA-N 0 0 457.621 4.737 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc2[nH]ccc21 ZINC001450607123 1067094492 /nfs/dbraw/zinc/09/44/92/1067094492.db2.gz GNIMPNFENFCRFL-UHFFFAOYSA-N 0 0 455.396 4.759 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC001458610920 1067094506 /nfs/dbraw/zinc/09/45/06/1067094506.db2.gz OWGCQZIUUTXOJJ-ZBFHGGJFSA-N 0 0 458.274 4.905 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC001458610919 1067094519 /nfs/dbraw/zinc/09/45/19/1067094519.db2.gz OWGCQZIUUTXOJJ-HOCLYGCPSA-N 0 0 458.274 4.905 20 0 JJADRN CC[C@H](Sc1nc(CC(=O)O[C@H](C)c2ccc(F)c(C(F)(F)F)c2)cs1)C(N)=O ZINC001458610091 1067094598 /nfs/dbraw/zinc/09/45/98/1067094598.db2.gz RRKLFSSZTDBIRZ-OTYXRUKQSA-N 0 0 450.479 4.504 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)SC ZINC001545794932 1067094567 /nfs/dbraw/zinc/09/45/67/1067094567.db2.gz SDUOVHZVIFCVAC-NTKDMRAZSA-N 0 0 492.661 4.692 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3Br)cc2)no1 ZINC001458611084 1067094830 /nfs/dbraw/zinc/09/48/30/1067094830.db2.gz VQJFCWSJYVVDHB-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458611404 1067094865 /nfs/dbraw/zinc/09/48/65/1067094865.db2.gz WRNSJQWZNCEJKE-UHFFFAOYSA-N 0 0 459.102 4.762 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C1)CCCOC2)OC ZINC001545795140 1067095013 /nfs/dbraw/zinc/09/50/13/1067095013.db2.gz ZBCXGWUXMZHJAA-VWLOTQADSA-N 0 0 456.631 4.686 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1)SC ZINC001545795108 1067095047 /nfs/dbraw/zinc/09/50/47/1067095047.db2.gz XYSOMAHPFQLOPE-UHFFFAOYSA-N 0 0 498.672 4.942 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1)SC ZINC001545795121 1067095096 /nfs/dbraw/zinc/09/50/96/1067095096.db2.gz YLRRNQVUZSPHIY-GOSISDBHSA-N 0 0 488.576 4.555 20 0 JJADRN Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)c(Sc2ccccc2)c1 ZINC001458611829 1067095077 /nfs/dbraw/zinc/09/50/77/1067095077.db2.gz UJVWBNAFMSJFFC-UHFFFAOYSA-N 0 0 452.601 4.568 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)no2)CCO1 ZINC001546102367 1067095265 /nfs/dbraw/zinc/09/52/65/1067095265.db2.gz XBLCRENOOJHMKH-NRFANRHFSA-N 0 0 466.369 4.514 20 0 JJADRN CCC(CC)(Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)SC ZINC001545795163 1067095424 /nfs/dbraw/zinc/09/54/24/1067095424.db2.gz ZYFCCLQQPYHNNY-XMMPIXPASA-N 0 0 468.708 4.634 20 0 JJADRN CCC(CC)(Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)SC ZINC001545796410 1067095515 /nfs/dbraw/zinc/09/55/15/1067095515.db2.gz FHURNWAFRMJABF-CVDCTZTESA-N 0 0 470.749 4.818 20 0 JJADRN C[C@H](CC(=O)OCc1ccccc1)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001545796198 1067095543 /nfs/dbraw/zinc/09/55/43/1067095543.db2.gz YCOBTWXZRYULMB-QUCCMNQESA-N 0 0 452.551 4.554 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450611141 1067095504 /nfs/dbraw/zinc/09/55/04/1067095504.db2.gz SCNSFUUBTAJTKY-VMHIWSLOSA-N 0 0 458.396 4.919 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc4c(c3)COC(=O)N4)n2)CC1 ZINC001450609487 1067095609 /nfs/dbraw/zinc/09/56/09/1067095609.db2.gz NMFZPVCWDCVECI-UHFFFAOYSA-N 0 0 458.540 4.572 20 0 JJADRN C[C@@H](OC(=O)CCCOc1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458614702 1067095961 /nfs/dbraw/zinc/09/59/61/1067095961.db2.gz NFELBPMNZWIPBT-CYBMUJFWSA-N 0 0 450.413 4.784 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)OC ZINC001545796447 1067096194 /nfs/dbraw/zinc/09/61/94/1067096194.db2.gz GEDXORLKXZINCM-VQIMIIECSA-N 0 0 498.594 4.637 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccsc2Br)CCO1 ZINC001546102412 1067096559 /nfs/dbraw/zinc/09/65/59/1067096559.db2.gz XTTYYQDUXJQEKQ-OAQYLSRUSA-N 0 0 495.418 4.874 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450616441 1067096334 /nfs/dbraw/zinc/09/63/34/1067096334.db2.gz YQHSGCMDUCDYLT-YADARESESA-N 0 0 453.380 4.902 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450616429 1067096467 /nfs/dbraw/zinc/09/64/67/1067096467.db2.gz YQHSGCMDUCDYLT-CYFREDJKSA-N 0 0 453.380 4.902 20 0 JJADRN CC(C)NC(=O)OC1CN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)C1 ZINC001450615738 1067096496 /nfs/dbraw/zinc/09/64/96/1067096496.db2.gz GVTOXXSCXUNFDF-UHFFFAOYSA-N 0 0 456.461 4.955 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1)OC ZINC001545796646 1067096697 /nfs/dbraw/zinc/09/66/97/1067096697.db2.gz KXIDUYXOFONRDA-IBGZPJMESA-N 0 0 465.639 4.866 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1)SC ZINC001545796629 1067096822 /nfs/dbraw/zinc/09/68/22/1067096822.db2.gz KMIXIBHKKOHXBK-WOJBJXKFSA-N 0 0 452.709 4.981 20 0 JJADRN O=C(CCOc1ccccc1Cl)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450629691 1067097124 /nfs/dbraw/zinc/09/71/24/1067097124.db2.gz VCPFXGSDDJPNBR-SFHVURJKSA-N 0 0 450.284 4.757 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458619916 1067097141 /nfs/dbraw/zinc/09/71/41/1067097141.db2.gz FFILPNIFRJMXJR-CYBMUJFWSA-N 0 0 458.183 4.872 20 0 JJADRN CC(C)[C@H](C(=O)O[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C)N1Cc2ccccc2C1=O ZINC001458621428 1067097201 /nfs/dbraw/zinc/09/72/01/1067097201.db2.gz ZRQVEHIPQDDUFK-VBKZILBWSA-N 0 0 459.468 4.877 20 0 JJADRN O=C(Cc1coc(-c2ccccc2)n1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450624787 1067097351 /nfs/dbraw/zinc/09/73/51/1067097351.db2.gz KVLWTFSLABOFHF-LJQANCHMSA-N 0 0 452.860 4.532 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458624083 1067097503 /nfs/dbraw/zinc/09/75/03/1067097503.db2.gz QGXOJDJSWAWCFL-UHFFFAOYSA-N 0 0 458.176 4.839 20 0 JJADRN Cc1ccc(COC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)cc1F ZINC001458623935 1067097722 /nfs/dbraw/zinc/09/77/22/1067097722.db2.gz QHECALXUJGOOGF-UHFFFAOYSA-N 0 0 458.209 4.853 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1)OC ZINC001545797864 1067097671 /nfs/dbraw/zinc/09/76/71/1067097671.db2.gz BCOMCEAQEGYYTH-ZBFHGGJFSA-N 0 0 471.465 4.836 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1)OC ZINC001545797969 1067097926 /nfs/dbraw/zinc/09/79/26/1067097926.db2.gz CSVOEEFELFUSPL-AZUAARDMSA-N 0 0 493.446 4.548 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)=O)CC1)OC ZINC001545798078 1067098410 /nfs/dbraw/zinc/09/84/10/1067098410.db2.gz FPVOFFIEIOQXHA-QFIPXVFZSA-N 0 0 462.038 4.545 20 0 JJADRN Cc1c(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cnn1-c1ccccc1Cl ZINC001458626788 1067098573 /nfs/dbraw/zinc/09/85/73/1067098573.db2.gz XIRMNQUIJYDBTI-UHFFFAOYSA-N 0 0 453.970 4.924 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)cc1 ZINC001450642408 1067098476 /nfs/dbraw/zinc/09/84/76/1067098476.db2.gz ANONWBJNPFNDIN-UHFFFAOYSA-N 0 0 453.402 4.574 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)c2cc(NC(=O)OC(C)(C)C)nn2C)ccc1Br ZINC001450646558 1067098530 /nfs/dbraw/zinc/09/85/30/1067098530.db2.gz KPORTUHMAORCEE-UHFFFAOYSA-N 0 0 451.365 4.503 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCOC1)OC ZINC001545798241 1067098685 /nfs/dbraw/zinc/09/86/85/1067098685.db2.gz HZJBUEGLTALYNN-FXAWDEMLSA-N 0 0 483.426 4.913 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1)OC ZINC001545798303 1067099279 /nfs/dbraw/zinc/09/92/79/1067099279.db2.gz IZVUZLLTLIIKIS-RTWAWAEBSA-N 0 0 465.436 4.768 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1scnc1C ZINC001546024743 1067099184 /nfs/dbraw/zinc/09/91/84/1067099184.db2.gz PCKQOPQTOXFTRS-UHFFFAOYSA-N 0 0 494.459 4.669 20 0 JJADRN COc1ccc(N(C)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)nc1 ZINC001458634051 1067099392 /nfs/dbraw/zinc/09/93/92/1067099392.db2.gz WFNRVQQYEFOSPP-UHFFFAOYSA-N 0 0 452.967 4.897 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)n1 ZINC001458647031 1067099866 /nfs/dbraw/zinc/09/98/66/1067099866.db2.gz NBKKWZSQSFKLBK-UHFFFAOYSA-N 0 0 451.477 4.982 20 0 JJADRN Cc1ccc([C@@H](CC(F)(F)F)NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001458648414 1067100051 /nfs/dbraw/zinc/10/00/51/1067100051.db2.gz DVGCUVBQDMEWIO-NVXWUHKLSA-N 0 0 455.274 4.993 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798423 1067100053 /nfs/dbraw/zinc/10/00/53/1067100053.db2.gz KVZHOKRTGPFWDS-RTWAWAEBSA-N 0 0 473.662 4.819 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)C1(C)C ZINC001450670128 1067100694 /nfs/dbraw/zinc/10/06/94/1067100694.db2.gz IFZVXBXLQFJABF-APWZRJJASA-N 0 0 459.587 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC001450669833 1067100720 /nfs/dbraw/zinc/10/07/20/1067100720.db2.gz HLGGXZHJWZHSEA-FQEVSTJZSA-N 0 0 457.398 4.977 20 0 JJADRN C[C@@H](Nc1ncnc2ccc(I)cc21)c1cc(Cl)cc2c1OCC2 ZINC001458653456 1067100760 /nfs/dbraw/zinc/10/07/60/1067100760.db2.gz XSYCJRUYBOMEAL-SNVBAGLBSA-N 0 0 451.695 4.996 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001458652039 1067100790 /nfs/dbraw/zinc/10/07/90/1067100790.db2.gz PMLWVKZNYBTSGG-NRFANRHFSA-N 0 0 456.652 4.900 20 0 JJADRN C[C@H](NC(=O)c1cc(F)cc(I)c1N)c1ccc(Cl)c(Cl)c1 ZINC001546102685 1067100808 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AICCNBGYNWOIFS-XMMPIXPASA-N 0 0 450.564 4.517 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ncn(C2CCCCC2)n1 ZINC001458663298 1067103868 /nfs/dbraw/zinc/10/38/68/1067103868.db2.gz GBRTUTZGQSQVRK-OAQYLSRUSA-N 0 0 451.958 4.937 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn(C(C)C)c1Br)c1ccc(OC)c(OC)c1 ZINC001458665246 1067103874 /nfs/dbraw/zinc/10/38/74/1067103874.db2.gz LMWHXPMVLRSKPE-UHFFFAOYSA-N 0 0 452.393 4.732 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)OC ZINC001545799191 1067104233 /nfs/dbraw/zinc/10/42/33/1067104233.db2.gz YZPRSHRBZOZOGF-RUZDIDTESA-N 0 0 490.652 4.534 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCOC1)OC ZINC001545799138 1067104384 /nfs/dbraw/zinc/10/43/84/1067104384.db2.gz XKQAMNPVAPJAPV-YLJYHZDGSA-N 0 0 465.436 4.774 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545799104 1067104402 /nfs/dbraw/zinc/10/44/02/1067104402.db2.gz WUKCOWTXLPXAEO-QIJUGHKUSA-N 0 0 486.661 4.531 20 0 JJADRN Cc1cc(COC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)nc(C)n1 ZINC001458666846 1067104334 /nfs/dbraw/zinc/10/43/34/1067104334.db2.gz IFUHFSOCVAQRJG-UHFFFAOYSA-N 0 0 450.848 4.797 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)cc1OC ZINC001458669920 1067105147 /nfs/dbraw/zinc/10/51/47/1067105147.db2.gz WYODNAZXRWDMDY-QGZVFWFLSA-N 0 0 452.345 4.963 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCCCC1)OC ZINC001545800069 1067105460 /nfs/dbraw/zinc/10/54/60/1067105460.db2.gz APJYERFCEYSIJB-OAQYLSRUSA-N 0 0 452.603 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(c3nc(C4CCOCC4)ns3)CC2)CC1 ZINC001458670604 1067105849 /nfs/dbraw/zinc/10/58/49/1067105849.db2.gz WJGBKYFBKLNTMN-QGZVFWFLSA-N 0 0 450.649 4.686 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H]1C)OC ZINC001545800204 1067106240 /nfs/dbraw/zinc/10/62/40/1067106240.db2.gz CGIWTVGSPPJMOE-YDHSSHFGSA-N 0 0 480.657 4.751 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545800145 1067106254 /nfs/dbraw/zinc/10/62/54/1067106254.db2.gz BNRNKTOFHFXCQN-JTHBVZDNSA-N 0 0 455.647 4.621 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1)OC ZINC001545800217 1067106260 /nfs/dbraw/zinc/10/62/60/1067106260.db2.gz CKTXWJKCWQBRRW-JCYRPKCISA-N 0 0 474.621 4.598 20 0 JJADRN O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001458674355 1067106360 /nfs/dbraw/zinc/10/63/60/1067106360.db2.gz JHZCCJMIOULCHT-CQSZACIVSA-N 0 0 459.295 4.862 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450701649 1067106970 /nfs/dbraw/zinc/10/69/70/1067106970.db2.gz JTPDFAOWFQOOKC-KSFYIVLOSA-N 0 0 456.505 4.722 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)OC ZINC001545800459 1067106898 /nfs/dbraw/zinc/10/68/98/1067106898.db2.gz GXRPFMXNDQOTTL-YKSBVNFPSA-N 0 0 491.627 4.618 20 0 JJADRN CCc1ccc2occ(C(=O)N[C@H]3CCCN(c4ccc(Br)c(C)c4)C3=O)c2c1 ZINC001458678472 1067107105 /nfs/dbraw/zinc/10/71/05/1067107105.db2.gz ASBBFQCOYSMUIJ-FQEVSTJZSA-N 0 0 455.352 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3ccc(Br)c(C(F)(F)F)n3)C[C@@H]2C1 ZINC001458678474 1067107111 /nfs/dbraw/zinc/10/71/11/1067107111.db2.gz PPTCAALOKBASPF-NEPJUHHUSA-N 0 0 450.299 4.556 20 0 JJADRN CCC(CC)[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1)OC ZINC001545800584 1067107349 /nfs/dbraw/zinc/10/73/49/1067107349.db2.gz JABDUYMDIIPREX-DEOSSOPVSA-N 0 0 483.701 4.979 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC001450702758 1067107459 /nfs/dbraw/zinc/10/74/59/1067107459.db2.gz RSZBITRFKSETSF-UHFFFAOYSA-N 0 0 451.611 4.916 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2)CC1)OC ZINC001545800895 1067107889 /nfs/dbraw/zinc/10/78/89/1067107889.db2.gz NVSQRLRVDFAAQQ-DNQXCXABSA-N 0 0 455.647 4.688 20 0 JJADRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001450706877 1067108146 /nfs/dbraw/zinc/10/81/46/1067108146.db2.gz ICRNXKDNTHWMCX-AWEZNQCLSA-N 0 0 457.415 4.707 20 0 JJADRN CCOC(=O)c1nc(NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001458682402 1067108232 /nfs/dbraw/zinc/10/82/32/1067108232.db2.gz SYKXVBRPNVWFLB-AWEZNQCLSA-N 0 0 456.381 4.612 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545801305 1067108727 /nfs/dbraw/zinc/10/87/27/1067108727.db2.gz UNXCOUGVSNFBKT-MRXNPFEDSA-N 0 0 494.484 4.898 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)OC ZINC001545801290 1067108830 /nfs/dbraw/zinc/10/88/30/1067108830.db2.gz ULZABVUKUJNVOP-NFBKMPQASA-N 0 0 452.578 4.709 20 0 JJADRN CCN(CCC1CC1)C(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001458684310 1067108851 /nfs/dbraw/zinc/10/88/51/1067108851.db2.gz MNEUBENZLMSMFU-HXUWFJFHSA-N 0 0 458.624 4.544 20 0 JJADRN 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CN(C)C(=O)Sc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 ZINC001458750854 1067131548 /nfs/dbraw/zinc/13/15/48/1067131548.db2.gz LQTLYYIRSFTOSZ-UHFFFAOYSA-N 0 0 453.637 4.929 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccccc1Cn1ccnc1)C1CCCCCC1 ZINC001450852774 1067132293 /nfs/dbraw/zinc/13/22/93/1067132293.db2.gz YPGWYTLMWXVIKN-HSZRJFAPSA-N 0 0 454.615 4.659 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1 ZINC001450854808 1067132359 /nfs/dbraw/zinc/13/23/59/1067132359.db2.gz ZXOAETTYHZLHSL-UHFFFAOYSA-N 0 0 458.599 4.799 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001546103292 1067133481 /nfs/dbraw/zinc/13/34/81/1067133481.db2.gz FVKLFHUTCRAZCX-XUZZJYLKSA-N 0 0 487.664 4.931 20 0 JJADRN CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458760935 1067133555 /nfs/dbraw/zinc/13/35/55/1067133555.db2.gz GLUFBLQIPKVOKQ-YJBOKZPZSA-N 0 0 457.258 4.562 20 0 JJADRN Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3CCCCN3C(=O)C=Cc3ccc(Cl)cc3)c2C)o1 ZINC001450902163 1067134554 /nfs/dbraw/zinc/13/45/54/1067134554.db2.gz OAVWADLLINVPRQ-XWGMLZDCSA-N 0 0 452.942 4.973 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC001450896141 1067134654 /nfs/dbraw/zinc/13/46/54/1067134654.db2.gz LUCIKCPKNTUEHH-QGZVFWFLSA-N 0 0 452.267 4.542 20 0 JJADRN Cc1ccc(C[C@@H](CO)NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C ZINC001450902183 1067134759 /nfs/dbraw/zinc/13/47/59/1067134759.db2.gz JDAWZBUVSNICIC-VXKWHMMOSA-N 0 0 452.595 4.642 20 0 JJADRN Cc1nnc([C@H](C)NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)s1 ZINC001458765954 1067135427 /nfs/dbraw/zinc/13/54/27/1067135427.db2.gz VFPDOXCAOQYKRC-APPDUMDISA-N 0 0 450.333 4.746 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1cnn2ccccc12 ZINC001546027140 1067135469 /nfs/dbraw/zinc/13/54/69/1067135469.db2.gz OHZWBFRQXWRBBL-UHFFFAOYSA-N 0 0 457.231 4.857 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(C(=O)OC)cc3)n2CC)cc1 ZINC001458768906 1067135975 /nfs/dbraw/zinc/13/59/75/1067135975.db2.gz KKQXBVBNBVJGDQ-UHFFFAOYSA-N 0 0 452.580 4.573 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)CCOCC1 ZINC001450937442 1067136194 /nfs/dbraw/zinc/13/61/94/1067136194.db2.gz AGDRIAMWTHMEHD-UHFFFAOYSA-N 0 0 459.970 4.930 20 0 JJADRN COC(=O)c1oc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1C ZINC001458769471 1067136693 /nfs/dbraw/zinc/13/66/93/1067136693.db2.gz KOMWHDYLLJWIMH-OAHLLOKOSA-N 0 0 450.516 4.936 20 0 JJADRN COC(=O)c1sc(NC(=O)COc2ccc(Br)cc2F)nc1C1CCCC1 ZINC001458769047 1067136701 /nfs/dbraw/zinc/13/67/01/1067136701.db2.gz HICGCXWGLRIMEA-UHFFFAOYSA-N 0 0 457.321 4.506 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)Cc2noc3ccc(Br)cc23)CCCCC1 ZINC001450947068 1067136703 /nfs/dbraw/zinc/13/67/03/1067136703.db2.gz OKLCJHZGBAFZCJ-UHFFFAOYSA-N 0 0 451.361 4.684 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2nccnc2C)C1 ZINC001546103328 1067137217 /nfs/dbraw/zinc/13/72/17/1067137217.db2.gz HCHPZDRWSQZBJU-LJQANCHMSA-N 0 0 452.578 4.915 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCC(=O)Nc3ncccc3C)cc12 ZINC001450972722 1067137258 /nfs/dbraw/zinc/13/72/58/1067137258.db2.gz DTADQGTXJMOPQQ-UHFFFAOYSA-N 0 0 453.955 4.511 20 0 JJADRN Cc1cccc(CCCSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1 ZINC001458771079 1067137861 /nfs/dbraw/zinc/13/78/61/1067137861.db2.gz PUYDFLXSCWWQCV-UHFFFAOYSA-N 0 0 457.621 4.945 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCN1C(=O)OC(C)(C)C ZINC001450994712 1067138694 /nfs/dbraw/zinc/13/86/94/1067138694.db2.gz QZPSBRQEFNUMHW-CGTJXYLNSA-N 0 0 452.393 4.543 20 0 JJADRN COC(=O)/C=C(/C)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1 ZINC001458773476 1067139025 /nfs/dbraw/zinc/13/90/25/1067139025.db2.gz VBXGBHHXBKHVSV-VBKFSLOCSA-N 0 0 458.580 4.516 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545811141 1067139429 /nfs/dbraw/zinc/13/94/29/1067139429.db2.gz NFJMGAUDJFNLQA-MHZLTWQESA-N 0 0 456.312 4.790 20 0 JJADRN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COc1ccc(C(=O)OC)cc1Cl ZINC001458774455 1067139673 /nfs/dbraw/zinc/13/96/73/1067139673.db2.gz CYFBUKNLPJOECT-UHFFFAOYSA-N 0 0 453.944 4.581 20 0 JJADRN CCn1c(SCC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)nnc1-c1cccc(C)c1 ZINC001458775482 1067140774 /nfs/dbraw/zinc/14/07/74/1067140774.db2.gz KILQFLCXNBJBMM-NHCUHLMSSA-N 0 0 454.571 4.541 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001451033880 1067141177 /nfs/dbraw/zinc/14/11/77/1067141177.db2.gz FDMMWIDQHACKNP-MRXNPFEDSA-N 0 0 456.921 4.820 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N[C@H](C)c3ccc(Cl)cc3)c2)c1 ZINC001451035121 1067141256 /nfs/dbraw/zinc/14/12/56/1067141256.db2.gz VVIPLURRRHTIIR-CQSZACIVSA-N 0 0 454.910 4.806 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001451033872 1067141368 /nfs/dbraw/zinc/14/13/68/1067141368.db2.gz FDMMWIDQHACKNP-INIZCTEOSA-N 0 0 456.921 4.820 20 0 JJADRN COc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1Cl ZINC001458777236 1067141799 /nfs/dbraw/zinc/14/17/99/1067141799.db2.gz SERXMPAHAPBFOO-GOEBONIOSA-N 0 0 458.967 4.601 20 0 JJADRN CCCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 ZINC001458777049 1067141866 /nfs/dbraw/zinc/14/18/66/1067141866.db2.gz JSTBVOLOHLJUAG-MRXNPFEDSA-N 0 0 455.649 4.950 20 0 JJADRN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccc(C(F)F)c1Cl ZINC001458777026 1067141900 /nfs/dbraw/zinc/14/19/00/1067141900.db2.gz WEGMPZBPCLGSHP-UHFFFAOYSA-N 0 0 456.674 4.779 20 0 JJADRN O=C(CCc1nc(-c2ccncc2)no1)N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001458777187 1067141910 /nfs/dbraw/zinc/14/19/10/1067141910.db2.gz WTHNEEIGFWWXDV-OAHLLOKOSA-N 0 0 458.362 4.893 20 0 JJADRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001451039791 1067142014 /nfs/dbraw/zinc/14/20/14/1067142014.db2.gz IFRBFNDTXNXVMC-QGZVFWFLSA-N 0 0 456.539 4.743 20 0 JJADRN CO[C@@H]1CCC[C@H](CC(=O)Oc2ccc(I)c(Br)c2)C1 ZINC001458779876 1067142413 /nfs/dbraw/zinc/14/24/13/1067142413.db2.gz OULGWPOVLLGULW-WDEREUQCSA-N 0 0 453.114 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1csc(Nc3ccccn3)n1)CC2 ZINC001451046771 1067143211 /nfs/dbraw/zinc/14/32/11/1067143211.db2.gz IZFLJTDOILFVPD-UHFFFAOYSA-N 0 0 457.600 4.535 20 0 JJADRN Cc1cc(C)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1C=O ZINC001451050074 1067144043 /nfs/dbraw/zinc/14/40/43/1067144043.db2.gz TWVMSMYOXIOJMW-JTHBVZDNSA-N 0 0 454.542 4.778 20 0 JJADRN O=C(CN1c2ccccc2Sc2ccccc21)NCc1ccc(NC(=O)C(F)(F)F)nc1 ZINC001451068898 1067144666 /nfs/dbraw/zinc/14/46/66/1067144666.db2.gz ATSFKOJTNOTHJU-UHFFFAOYSA-N 0 0 458.465 4.502 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2conc2COC)C1 ZINC001546103607 1067144686 /nfs/dbraw/zinc/14/46/86/1067144686.db2.gz PXMKWUKNIIFYFL-KRWDZBQOSA-N 0 0 457.550 4.756 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2conc2COC)C1 ZINC001546103608 1067145051 /nfs/dbraw/zinc/14/50/51/1067145051.db2.gz PXMKWUKNIIFYFL-QGZVFWFLSA-N 0 0 457.550 4.756 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@@H](C)c2noc(C(F)F)n2)c1 ZINC001451077009 1067145094 /nfs/dbraw/zinc/14/50/94/1067145094.db2.gz BHUWKGNXFWPQKL-AWEZNQCLSA-N 0 0 453.449 4.668 20 0 JJADRN CCOc1ccc(-n2c(SC[C@@H]3CCCC[C@H]3C(=O)OC)nnc2-c2ccncc2)cc1 ZINC001458784941 1067146027 /nfs/dbraw/zinc/14/60/27/1067146027.db2.gz STHPXKVAHBLMGT-GHTZIAJQSA-N 0 0 452.580 4.800 20 0 JJADRN CCOc1ccc(-n2c(SC[C@H]3CCCC[C@@H]3C(=O)OC)nnc2-c2ccncc2)cc1 ZINC001458784945 1067146073 /nfs/dbraw/zinc/14/60/73/1067146073.db2.gz STHPXKVAHBLMGT-NQIIRXRSSA-N 0 0 452.580 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC001451103940 1067146222 /nfs/dbraw/zinc/14/62/22/1067146222.db2.gz DISRJZBLRMSLSH-PXNSSMCTSA-N 0 0 455.555 4.689 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(I)c(Cl)c1 ZINC001458786395 1067146421 /nfs/dbraw/zinc/14/64/21/1067146421.db2.gz YQDDSJCFBZGKKX-RHSMWYFYSA-N 0 0 459.686 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC001451107826 1067146808 /nfs/dbraw/zinc/14/68/08/1067146808.db2.gz BMKJPJACIRNCRD-PCCBWWKXSA-N 0 0 457.640 4.577 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001546103810 1067147793 /nfs/dbraw/zinc/14/77/93/1067147793.db2.gz XQAQHWFLYZUUBG-PMACEKPBSA-N 0 0 476.065 4.809 20 0 JJADRN CCOc1ccc(-n2c(-c3ccccc3)cnc2S[C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC001458790285 1067147870 /nfs/dbraw/zinc/14/78/70/1067147870.db2.gz FGBBTFGIJVGFSO-QGZVFWFLSA-N 0 0 452.580 4.653 20 0 JJADRN COC(=O)c1csc(CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)n1 ZINC001458790288 1067147944 /nfs/dbraw/zinc/14/79/44/1067147944.db2.gz FHACYAQDPLTFSU-UHFFFAOYSA-N 0 0 451.573 4.565 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451129666 1067148006 /nfs/dbraw/zinc/14/80/06/1067148006.db2.gz HJQBFVJZKVZSQV-RBSFLKMASA-N 0 0 455.368 4.662 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)oc1-c1ccccc1 ZINC001451126726 1067148108 /nfs/dbraw/zinc/14/81/08/1067148108.db2.gz FMCJSMZLBSJHSR-PWRODBHTSA-N 0 0 453.583 4.734 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451137051 1067148796 /nfs/dbraw/zinc/14/87/96/1067148796.db2.gz LZIITTCVGBWBJW-GUDVDZBRSA-N 0 0 454.567 4.638 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c2c(n1)onc2C(C)C ZINC001451131711 1067148853 /nfs/dbraw/zinc/14/88/53/1067148853.db2.gz IKNVVYIUMLTXNB-JFIYKMOQSA-N 0 0 456.587 4.674 20 0 JJADRN C[C@H]1CCCC[C@@H]1OCCNC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC001458795517 1067149113 /nfs/dbraw/zinc/14/91/13/1067149113.db2.gz WFEWFAGOYGEWIU-HKUYNNGSSA-N 0 0 456.637 4.799 20 0 JJADRN O=C1N=NC(SCc2ncc(-c3ccccc3Br)o2)N1CCc1ccccc1 ZINC001458794319 1067149256 /nfs/dbraw/zinc/14/92/56/1067149256.db2.gz USIJIEUXJDETOF-UHFFFAOYSA-N 0 0 457.353 4.936 20 0 JJADRN Cc1ccc(-n2c(S[C@H](Cc3ccc(F)cc3)C(N)=O)nnc2-c2ccccc2F)cc1 ZINC001458803138 1067150579 /nfs/dbraw/zinc/15/05/79/1067150579.db2.gz YYKFXHGYIMUWNB-OAQYLSRUSA-N 0 0 450.514 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)CCOc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001451150785 1067150674 /nfs/dbraw/zinc/15/06/74/1067150674.db2.gz YRHVLQWCKJFXRX-ZMSDIMECSA-N 0 0 457.398 4.914 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC001458806712 1067150637 /nfs/dbraw/zinc/15/06/37/1067150637.db2.gz COILCULZZYUHKD-JOCHJYFZSA-N 0 0 456.011 4.976 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001546028752 1067151356 /nfs/dbraw/zinc/15/13/56/1067151356.db2.gz MSVKKSJCWRWNKM-QYBDOPJKSA-N 0 0 459.521 4.929 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)c1 ZINC001546028724 1067151395 /nfs/dbraw/zinc/15/13/95/1067151395.db2.gz MAACPGIOKLHCCF-IQGLISFBSA-N 0 0 459.521 4.929 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001451165439 1067151407 /nfs/dbraw/zinc/15/14/07/1067151407.db2.gz AMFRLXXSZFMDRL-DFWAIWNTSA-N 0 0 456.627 4.976 20 0 JJADRN CN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001451169080 1067151807 /nfs/dbraw/zinc/15/18/07/1067151807.db2.gz FJASAFZAROBQEH-DNVJHFABSA-N 0 0 452.599 4.863 20 0 JJADRN COC(=O)c1csc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)c1 ZINC001458812247 1067151851 /nfs/dbraw/zinc/15/18/51/1067151851.db2.gz LYJLESGYJBQFGN-UHFFFAOYSA-N 0 0 452.557 4.594 20 0 JJADRN CCOc1ccc(OCCNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001458812625 1067151975 /nfs/dbraw/zinc/15/19/75/1067151975.db2.gz DDMAHKITJURQCQ-UHFFFAOYSA-N 0 0 451.363 4.697 20 0 JJADRN O=C(Nc1ncccc1OCc1ccccc1)c1cnc2ccc(Br)cc2c1O ZINC001451178780 1067151945 /nfs/dbraw/zinc/15/19/45/1067151945.db2.gz WPXPURZPRZLDLE-UHFFFAOYSA-N 0 0 450.292 4.517 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Sc1nnc2cc(C)c3ccccc3n21 ZINC001458812341 1067152504 /nfs/dbraw/zinc/15/25/04/1067152504.db2.gz KKYYCCNHVXYJBO-CQSZACIVSA-N 0 0 454.577 4.857 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001458813591 1067152520 /nfs/dbraw/zinc/15/25/20/1067152520.db2.gz FFDQQQXJHDXABI-KRWDZBQOSA-N 0 0 451.775 4.675 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H]1O ZINC001451185311 1067152837 /nfs/dbraw/zinc/15/28/37/1067152837.db2.gz SBTXAFBAGRZMCJ-MJGOQNOKSA-N 0 0 464.465 4.957 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 ZINC001458815627 1067153676 /nfs/dbraw/zinc/15/36/76/1067153676.db2.gz SFAAEABAOBAJEN-UHFFFAOYSA-N 0 0 458.400 4.930 20 0 JJADRN COc1cccc([C@H](OC(=O)Cc2cccc(I)c2)c2ccncc2)c1 ZINC001458815587 1067153707 /nfs/dbraw/zinc/15/37/07/1067153707.db2.gz KPXGJHCFJLHKQG-OAQYLSRUSA-N 0 0 459.283 4.570 20 0 JJADRN CCOC(=O)C1=C(COc2ccc(Cl)cc2Cl)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001458815751 1067153792 /nfs/dbraw/zinc/15/37/92/1067153792.db2.gz DWRHHVVDSAXGQP-SFHVURJKSA-N 0 0 455.725 4.897 20 0 JJADRN COc1cccc([C@H](OC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c2ccncc2)c1 ZINC001458817034 1067153816 /nfs/dbraw/zinc/15/38/16/1067153816.db2.gz MMCUSJUOELOBNA-RUZDIDTESA-N 0 0 458.518 4.713 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NCc1ccccc1-c1ncc[nH]1)N2C(=O)OC(C)(C)C ZINC001451202338 1067153833 /nfs/dbraw/zinc/15/38/33/1067153833.db2.gz FHPBOAFBPMYIRX-NRFANRHFSA-N 0 0 450.514 4.507 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OCc3ccccc3C)c2)cc1 ZINC001458818567 1067154426 /nfs/dbraw/zinc/15/44/26/1067154426.db2.gz VMGIKGATNXENLW-UHFFFAOYSA-N 0 0 453.560 4.884 20 0 JJADRN C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC001458818903 1067154673 /nfs/dbraw/zinc/15/46/73/1067154673.db2.gz OOQLCFWFHKPKTC-AWEZNQCLSA-N 0 0 455.049 4.954 20 0 JJADRN CCCc1c(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)cnn1C1CCCC1 ZINC001458819256 1067154893 /nfs/dbraw/zinc/15/48/93/1067154893.db2.gz YEKJSHSIVRGBCG-UHFFFAOYSA-N 0 0 458.404 4.642 20 0 JJADRN Cc1cccc(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)c1 ZINC001451244481 1067155095 /nfs/dbraw/zinc/15/50/95/1067155095.db2.gz JLBKDAXVNVMSJH-UHFFFAOYSA-N 0 0 452.599 4.852 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451251075 1067155572 /nfs/dbraw/zinc/15/55/72/1067155572.db2.gz LJZYPTDLOUUBAQ-FQEVSTJZSA-N 0 0 458.730 4.895 20 0 JJADRN O=C(N1CCC([C@@H](O)c2cc(F)ccc2F)CC1)C1(c2ccc(Br)cc2)CC1 ZINC001451256461 1067156379 /nfs/dbraw/zinc/15/63/79/1067156379.db2.gz XKAVTYIOCKGFDT-HXUWFJFHSA-N 0 0 450.323 4.731 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cnn1-c1ccc(F)cc1 ZINC001451257925 1067156412 /nfs/dbraw/zinc/15/64/12/1067156412.db2.gz ZLPBMFPUVCSQRL-DEOSSOPVSA-N 0 0 457.496 4.828 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)nn1-c1c(Cl)cccc1Cl ZINC001451270940 1067157068 /nfs/dbraw/zinc/15/70/68/1067157068.db2.gz VWTILVDRXXFOLE-LJAQVGFWSA-N 0 0 452.367 4.985 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001546029907 1067157211 /nfs/dbraw/zinc/15/72/11/1067157211.db2.gz VFDFDCBQWGAMOV-UHFFFAOYSA-N 0 0 488.076 4.769 20 0 JJADRN O=C1[C@@H](Sc2nncn2-c2cccc(Cl)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001458823580 1067157234 /nfs/dbraw/zinc/15/72/34/1067157234.db2.gz CTHXRCCYDKALKA-KRWDZBQOSA-N 0 0 450.898 4.810 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC001451290179 1067157813 /nfs/dbraw/zinc/15/78/13/1067157813.db2.gz IKGCCFVIVIQSSQ-DNQXCXABSA-N 0 0 450.579 4.588 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC001451290184 1067158084 /nfs/dbraw/zinc/15/80/84/1067158084.db2.gz IKGCCFVIVIQSSQ-RPWUZVMVSA-N 0 0 450.579 4.588 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 ZINC001451302160 1067158420 /nfs/dbraw/zinc/15/84/20/1067158420.db2.gz KFOHJDZAUJXITG-MHECFPHRSA-N 0 0 450.510 4.549 20 0 JJADRN Cc1sc2nc(SCC(=O)C(=O)OC(C)(C)C)n(-c3cccc(C)c3C)c(=O)c2c1C ZINC001458825277 1067158486 /nfs/dbraw/zinc/15/84/86/1067158486.db2.gz JJAGDACXTPUAGX-UHFFFAOYSA-N 0 0 458.605 4.684 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 ZINC001451302150 1067158646 /nfs/dbraw/zinc/15/86/46/1067158646.db2.gz KFOHJDZAUJXITG-HOYKHHGWSA-N 0 0 450.510 4.549 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001451319308 1067159255 /nfs/dbraw/zinc/15/92/55/1067159255.db2.gz PQOFBLKNDYZZMK-FCHUYYIVSA-N 0 0 458.624 4.816 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(CSc2ccc(F)cc2)cc1 ZINC001451334136 1067160024 /nfs/dbraw/zinc/16/00/24/1067160024.db2.gz YOQWLDVIYPFRSH-URVUXULASA-N 0 0 459.612 4.782 20 0 JJADRN C[C@](O)(C(=O)N1CCC(Cc2c(F)cccc2F)CC1)c1ccc(F)c(Br)c1 ZINC001451335138 1067160071 /nfs/dbraw/zinc/16/00/71/1067160071.db2.gz DIOJCQCPNSIMHO-OAQYLSRUSA-N 0 0 456.302 4.555 20 0 JJADRN CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)c1 ZINC001451331190 1067160112 /nfs/dbraw/zinc/16/01/12/1067160112.db2.gz SOHKTBSHCDYOSF-UHFFFAOYSA-N 0 0 458.580 4.977 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](CC(C)C)NC(=O)NCc3ccc(C)cc3)C2)c1 ZINC001451338533 1067160485 /nfs/dbraw/zinc/16/04/85/1067160485.db2.gz GHWLVJFPXRLLMV-VDKIKQQVSA-N 0 0 451.611 4.622 20 0 JJADRN C[C@H](Cc1nnc(SCC(=O)C2(NC(=O)OCc3ccccc3)CC2)o1)c1ccccc1 ZINC001458829332 1067160782 /nfs/dbraw/zinc/16/07/82/1067160782.db2.gz WAYUATLRMMILCK-QGZVFWFLSA-N 0 0 451.548 4.536 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC(Cc3cccc(F)c3F)CC2)cc1C ZINC001451345509 1067161335 /nfs/dbraw/zinc/16/13/35/1067161335.db2.gz XRYZMTLMKXFXPZ-UHFFFAOYSA-N 0 0 456.562 4.736 20 0 JJADRN O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001451358659 1067161370 /nfs/dbraw/zinc/16/13/70/1067161370.db2.gz GXZDYCSYYLUKTE-BEFAXECRSA-N 0 0 458.336 4.727 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1S[C@@H]1CCCCCC1=O ZINC001458830422 1067161446 /nfs/dbraw/zinc/16/14/46/1067161446.db2.gz AHYJNPCYEZYUBX-OAQYLSRUSA-N 0 0 451.658 4.861 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CCC[C@@]2(CCSC2)C1 ZINC001451377822 1067161815 /nfs/dbraw/zinc/16/18/15/1067161815.db2.gz KQEQHBVEGUGPNX-QGZVFWFLSA-N 0 0 457.436 4.928 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccc(NCc2cncs2)c1 ZINC001451378700 1067161872 /nfs/dbraw/zinc/16/18/72/1067161872.db2.gz MJHSWQXXKZEASK-LEWJYISDSA-N 0 0 460.525 4.515 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(CF)cc3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458832733 1067161935 /nfs/dbraw/zinc/16/19/35/1067161935.db2.gz CLWAZTJTINLSTM-UHFFFAOYSA-N 0 0 450.535 4.914 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C(C)C)C2)on1 ZINC001545821793 1067162271 /nfs/dbraw/zinc/16/22/71/1067162271.db2.gz MHAPVGHNUXPRNZ-DEOSSOPVSA-N 0 0 494.640 4.948 20 0 JJADRN O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCC(c2ccncn2)CC1 ZINC001451386200 1067162406 /nfs/dbraw/zinc/16/24/06/1067162406.db2.gz NZZFWSAOMSKXPZ-UHFFFAOYSA-N 0 0 452.352 4.838 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)cc2)cc1 ZINC001451384466 1067162531 /nfs/dbraw/zinc/16/25/31/1067162531.db2.gz IUOGWKHXXAVDMI-HSZRJFAPSA-N 0 0 456.608 4.927 20 0 JJADRN Cc1sc2nc(SCC(=O)NCCOc3c(C)cccc3C)n(C(C)C)c(=O)c2c1C ZINC001458834582 1067162771 /nfs/dbraw/zinc/16/27/71/1067162771.db2.gz IKJIGCSUDISIBE-UHFFFAOYSA-N 0 0 459.637 4.560 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451387476 1067163061 /nfs/dbraw/zinc/16/30/61/1067163061.db2.gz GHBWPACUDNHBNK-YTFSRNRJSA-N 0 0 456.558 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@H]1c1cccc(F)c1 ZINC001451387564 1067163116 /nfs/dbraw/zinc/16/31/16/1067163116.db2.gz GVOBINKAVYCVAX-ZWKOTPCHSA-N 0 0 468.447 4.683 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C)C2)on1 ZINC001545822231 1067163617 /nfs/dbraw/zinc/16/36/17/1067163617.db2.gz WUTHHBQPMZTNJL-IAGOWNOFSA-N 0 0 457.550 4.722 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC[C@H](C(=O)NC)C2)on1 ZINC001545822283 1067163649 /nfs/dbraw/zinc/16/36/49/1067163649.db2.gz YPTFBYNCRVSYEK-GMAHTHKFSA-N 0 0 478.641 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2(c3cccnc3)CCCC2)C[C@H]1c1cccc(F)c1 ZINC001451390410 1067163713 /nfs/dbraw/zinc/16/37/13/1067163713.db2.gz MEAVXZOBWOVBCU-FCHUYYIVSA-N 0 0 453.558 4.552 20 0 JJADRN O=C(CCOc1cccc(Br)c1)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001545822569 1067164352 /nfs/dbraw/zinc/16/43/52/1067164352.db2.gz IOPTYMQDHXYIDR-UHFFFAOYSA-N 0 0 453.336 4.787 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1nccnc1SCc1ccccc1 ZINC001545822644 1067164358 /nfs/dbraw/zinc/16/43/58/1067164358.db2.gz KVOFSGQWHQNTBE-UHFFFAOYSA-N 0 0 454.555 4.951 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2cccn3c(I)cnc23)C[C@H](c2ccccc2)C1 ZINC001451398477 1067165059 /nfs/dbraw/zinc/16/50/59/1067165059.db2.gz IBTDSXUJUAIXMS-USXIJHARSA-N 0 0 459.331 4.641 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H]2CCOC2)on1 ZINC001545823131 1067164948 /nfs/dbraw/zinc/16/49/48/1067164948.db2.gz BLMRJVPETSKGEV-QGZVFWFLSA-N 0 0 459.978 4.772 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N2C[C@H](OC)C(C)(C)C2)on1 ZINC001545823262 1067165558 /nfs/dbraw/zinc/16/55/58/1067165558.db2.gz GNIFIEWMXZVVKZ-QFIPXVFZSA-N 0 0 453.587 4.755 20 0 JJADRN O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ncc(C2CCCCC2)s1 ZINC001458838431 1067166181 /nfs/dbraw/zinc/16/61/81/1067166181.db2.gz DDGARWDXVKAELX-UHFFFAOYSA-N 0 0 457.415 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CCCSc3ccc(Br)cc3)[C@@H]2C1 ZINC001451408384 1067166324 /nfs/dbraw/zinc/16/63/24/1067166324.db2.gz YWHDWBFODNIQGS-MAUKXSAKSA-N 0 0 469.445 4.789 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)OC)on1 ZINC001545823294 1067166342 /nfs/dbraw/zinc/16/63/42/1067166342.db2.gz HYKPUJHXLXLYPO-UHFFFAOYSA-N 0 0 464.364 4.654 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)on1 ZINC001545823317 1067166450 /nfs/dbraw/zinc/16/64/50/1067166450.db2.gz ILZRBDDBWXMUFI-UHFFFAOYSA-N 0 0 479.412 4.764 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)NC[C@H](O)c1ccccc1Br ZINC001451408246 1067166422 /nfs/dbraw/zinc/16/64/22/1067166422.db2.gz DRPWLDSYUKJVAR-INIZCTEOSA-N 0 0 455.443 4.641 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(C)(C)OC[C@@H]2C)on1 ZINC001545823479 1067166921 /nfs/dbraw/zinc/16/69/21/1067166921.db2.gz NRVDDLWCFZYNDL-KRWDZBQOSA-N 0 0 483.613 4.906 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCOC2)on1 ZINC001545823478 1067166936 /nfs/dbraw/zinc/16/69/36/1067166936.db2.gz NRQFUKNNHDAPGG-CQSZACIVSA-N 0 0 480.432 4.934 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C(=O)NC)on1 ZINC001545823452 1067166944 /nfs/dbraw/zinc/16/69/44/1067166944.db2.gz MVSBRMDGXBMORH-IRXDYDNUSA-N 0 0 498.697 4.890 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccsc3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458839955 1067167417 /nfs/dbraw/zinc/16/74/17/1067167417.db2.gz VOJQZRPELJBEDA-VMPITWQZSA-N 0 0 450.585 4.906 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1nc(Br)sc1C1CC1 ZINC001458840467 1067167527 /nfs/dbraw/zinc/16/75/27/1067167527.db2.gz ISUJPVAPZIJPJX-UHFFFAOYSA-N 0 0 456.793 4.521 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnc(Oc3ccccc3)cn2)C[C@H]1c1ccccc1F ZINC001451411272 1067167509 /nfs/dbraw/zinc/16/75/09/1067167509.db2.gz MZLFOLPSQPZZLT-SIKLNZKXSA-N 0 0 478.524 4.541 20 0 JJADRN COc1cc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)ccc1OCCC(C)C ZINC001451410057 1067167517 /nfs/dbraw/zinc/16/75/17/1067167517.db2.gz FIFXSGKFVXTCGC-IBGZPJMESA-N 0 0 450.373 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2N)C[C@H]1c1ccccc1F ZINC001451411054 1067167576 /nfs/dbraw/zinc/16/75/76/1067167576.db2.gz MBUFEWJELZVFRL-RBBKRZOGSA-N 0 0 476.552 4.603 20 0 JJADRN O=C(/C=C\c1ccccc1OCc1ccccc1)NC[C@H](O)c1ccccc1Br ZINC001451411255 1067168188 /nfs/dbraw/zinc/16/81/88/1067168188.db2.gz MEUPPCHAXTVKPE-MTVZPNFRSA-N 0 0 452.348 4.891 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](OC)C2)on1 ZINC001545823743 1067168195 /nfs/dbraw/zinc/16/81/95/1067168195.db2.gz XDOARMWSCSZBOX-IBGZPJMESA-N 0 0 469.586 4.517 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3F)nnc2N(C)Cc2cnn(CC)c2)on1 ZINC001545823713 1067168253 /nfs/dbraw/zinc/16/82/53/1067168253.db2.gz WGBRHLCLDSAEBB-UHFFFAOYSA-N 0 0 451.550 4.877 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)CCCc3ccc(C)s3)c2C)c1 ZINC001458841218 1067168260 /nfs/dbraw/zinc/16/82/60/1067168260.db2.gz YPVSAKPCXPDKHR-QHCPKHFHSA-N 0 0 453.608 4.790 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(OC)CC2)on1 ZINC001545824629 1067169243 /nfs/dbraw/zinc/16/92/43/1067169243.db2.gz FDLOITLHKHZUOL-RUZDIDTESA-N 0 0 452.603 4.599 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)C[C@H]1c1ccccc1F ZINC001451413369 1067169247 /nfs/dbraw/zinc/16/92/47/1067169247.db2.gz VVBGISOTHNONHA-GHTZIAJQSA-N 0 0 451.498 4.614 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451413599 1067169328 /nfs/dbraw/zinc/16/93/28/1067169328.db2.gz WLTMRLBDPAOTTM-OZWPHOJSSA-N 0 0 468.569 4.601 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCC(Oc4cccc(Br)c4)CC3)ccn2)C1 ZINC001458842814 1067169314 /nfs/dbraw/zinc/16/93/14/1067169314.db2.gz ZVNNOAVINMZOGO-QGZVFWFLSA-N 0 0 458.400 4.764 20 0 JJADRN C[C@@H](c1nnc(SCc2cccc(S(C)(=O)=O)c2)n1-c1ccccc1)N1CCCCC1 ZINC001458844096 1067169381 /nfs/dbraw/zinc/16/93/81/1067169381.db2.gz JNMISWUVZDKIAE-SFHVURJKSA-N 0 0 456.637 4.510 20 0 JJADRN O=C(Nc1ncc(C2CCCCC2)s1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001458844828 1067169797 /nfs/dbraw/zinc/16/97/97/1067169797.db2.gz WGGKLRUKUJUWQH-UHFFFAOYSA-N 0 0 451.589 4.757 20 0 JJADRN COc1ccc(CC[C@]2(C)NC(=O)N(CCOC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC001458844994 1067169855 /nfs/dbraw/zinc/16/98/55/1067169855.db2.gz JHOJXAWNNPNRBR-NDEPHWFRSA-N 0 0 458.558 4.745 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)on1 ZINC001545824850 1067170506 /nfs/dbraw/zinc/17/05/06/1067170506.db2.gz LQRMJOREVNQADV-UHFFFAOYSA-N 0 0 455.525 4.764 20 0 JJADRN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3ccc(Br)cc3Cl)C2=O)cc1 ZINC001458846575 1067170597 /nfs/dbraw/zinc/17/05/97/1067170597.db2.gz PQTFQYKGGMMOSP-HXUWFJFHSA-N 0 0 451.748 4.554 20 0 JJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001458846596 1067170620 /nfs/dbraw/zinc/17/06/20/1067170620.db2.gz PYPWVGJINRLSPJ-WIYYLYMNSA-N 0 0 459.999 4.884 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)on1 ZINC001545825001 1067170562 /nfs/dbraw/zinc/17/05/62/1067170562.db2.gz POFUKKRTPJKRFR-FQEVSTJZSA-N 0 0 499.059 4.767 20 0 JJADRN CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3 ZINC001458849560 1067171217 /nfs/dbraw/zinc/17/12/17/1067171217.db2.gz BOSYFWBXYSLTRA-INIZCTEOSA-N 0 0 456.633 4.869 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 ZINC001451430792 1067171354 /nfs/dbraw/zinc/17/13/54/1067171354.db2.gz IWZTZUGZNMDBCL-ZEQRLZLVSA-N 0 0 452.595 4.693 20 0 JJADRN CCn1cc(C(=O)N2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c2ccccc21 ZINC001451432585 1067171410 /nfs/dbraw/zinc/17/14/10/1067171410.db2.gz RNLYQMGXRLPMOK-CVDCTZTESA-N 0 0 455.599 4.586 20 0 JJADRN CCC(CC)c1cc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)on1 ZINC001545825288 1067171658 /nfs/dbraw/zinc/17/16/58/1067171658.db2.gz YFBJSAUYECVYTF-MRXNPFEDSA-N 0 0 486.567 4.816 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C)C2)on1 ZINC001545825950 1067172054 /nfs/dbraw/zinc/17/20/54/1067172054.db2.gz BERCWDDSXKJIHP-IAGOWNOFSA-N 0 0 457.550 4.550 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CC1CCCCC1 ZINC001545825959 1067172092 /nfs/dbraw/zinc/17/20/92/1067172092.db2.gz BQICUDVRZFWPMV-IBGZPJMESA-N 0 0 496.656 4.931 20 0 JJADRN CCOc1ccc(-c2nnc(SC[C@@H](C)CN3CCOCC3)n2-c2ccccc2F)cc1 ZINC001458851357 1067172540 /nfs/dbraw/zinc/17/25/40/1067172540.db2.gz GQIKXCMMIGEPQR-SFHVURJKSA-N 0 0 456.587 4.533 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC[C@H]1CC(C)(C)OC1(C)C)n2CC ZINC001458851552 1067172591 /nfs/dbraw/zinc/17/25/91/1067172591.db2.gz IGNCDFQTUJKMDI-MRXNPFEDSA-N 0 0 453.674 4.773 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001451460272 1067173183 /nfs/dbraw/zinc/17/31/83/1067173183.db2.gz JHKUUUWXWDSZAL-PKOBYXMFSA-N 0 0 456.999 4.782 20 0 JJADRN CCc1sc2nc(SCCOC[C@@H]3CCCO3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC001458852618 1067173209 /nfs/dbraw/zinc/17/32/09/1067173209.db2.gz NXCYABGIRUVJRF-IBGZPJMESA-N 0 0 458.649 4.973 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1=O ZINC001458852656 1067173255 /nfs/dbraw/zinc/17/32/55/1067173255.db2.gz ODQLCXGFRATXGS-ZUZCIYMTSA-N 0 0 458.868 4.995 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1OCc1ccccc1)N1CCOCC2(CCOCC2)C1 ZINC001458852655 1067173276 /nfs/dbraw/zinc/17/32/76/1067173276.db2.gz VUDWRRFLROCNBK-UHFFFAOYSA-N 0 0 450.362 4.842 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCC(F)(F)C1 ZINC001545826151 1067173489 /nfs/dbraw/zinc/17/34/89/1067173489.db2.gz HGDLWBZCRBMQFB-HZPDHXFCSA-N 0 0 451.537 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@@H]1CCCSC1 ZINC001545826199 1067173497 /nfs/dbraw/zinc/17/34/97/1067173497.db2.gz HZCXMSKPQUOCHO-ROUUACIJSA-N 0 0 459.660 4.546 20 0 JJADRN CCc1sc2nc(SCC(=O)c3cccn3C)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC001458853545 1067173769 /nfs/dbraw/zinc/17/37/69/1067173769.db2.gz QKMVMIYPTHBIIV-UHFFFAOYSA-N 0 0 451.617 4.999 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1C[C@H](C)c1ncc(C)s1 ZINC001545826401 1067173871 /nfs/dbraw/zinc/17/38/71/1067173871.db2.gz MAOFBJRELFBKFZ-WMZOPIPTSA-N 0 0 454.644 4.963 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)C(=O)c1cc(CCc2ccccc2)ccc1O ZINC001451472838 1067173998 /nfs/dbraw/zinc/17/39/98/1067173998.db2.gz NUQBMEXMOUJMAI-HSZRJFAPSA-N 0 0 454.364 4.746 20 0 JJADRN COc1ccc(-n2ccnc2SC[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001458855237 1067174218 /nfs/dbraw/zinc/17/42/18/1067174218.db2.gz BCKINIVBNRAMOK-HXUWFJFHSA-N 0 0 459.612 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC(F)(F)Br ZINC001545826518 1067174447 /nfs/dbraw/zinc/17/44/47/1067174447.db2.gz OVNXUCVHWCVFKZ-GFCCVEGCSA-N 0 0 476.341 4.521 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC001546031473 1067174754 /nfs/dbraw/zinc/17/47/54/1067174754.db2.gz IIDVAIDOWYHTEJ-LJQANCHMSA-N 0 0 454.644 4.657 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Br ZINC001546031648 1067175307 /nfs/dbraw/zinc/17/53/07/1067175307.db2.gz ODQQILUEEDZEEQ-UHFFFAOYSA-N 0 0 458.404 4.599 20 0 JJADRN COCCCOC1(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)CCCC1 ZINC001458858865 1067175446 /nfs/dbraw/zinc/17/54/46/1067175446.db2.gz FNYQKUDJAUNISN-UHFFFAOYSA-N 0 0 451.036 4.979 20 0 JJADRN Cc1nc(-c2ccc(C)cc2NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)n[nH]1 ZINC001458858187 1067175602 /nfs/dbraw/zinc/17/56/02/1067175602.db2.gz KOXFVQMQZUBFGN-UHFFFAOYSA-N 0 0 455.544 4.554 20 0 JJADRN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2c(C)cc(C)nc2OCc2ccccc2)C1=O ZINC001458859307 1067176199 /nfs/dbraw/zinc/17/61/99/1067176199.db2.gz HMUBYMACRWGDBL-HHHXNRCGSA-N 0 0 459.546 4.643 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CSc3nnnn3-c3ccc(C(C)C)cc3)n2)cc1 ZINC001458860751 1067176790 /nfs/dbraw/zinc/17/67/90/1067176790.db2.gz PFDNRDPXUKKAMY-UHFFFAOYSA-N 0 0 450.593 4.948 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](OC)C(C)(C)C2)on1 ZINC001545826962 1067176791 /nfs/dbraw/zinc/17/67/91/1067176791.db2.gz XYWAQCOXWXLVLZ-BAGYTPMASA-N 0 0 473.662 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1Cc1nnc(C(C)(C)C)s1 ZINC001545826870 1067176834 /nfs/dbraw/zinc/17/68/34/1067176834.db2.gz VVYNOAWMIYPKEO-MRXNPFEDSA-N 0 0 469.659 4.591 20 0 JJADRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC001451532869 1067177153 /nfs/dbraw/zinc/17/71/53/1067177153.db2.gz SYITVOHZXXGNLG-UHFFFAOYSA-N 0 0 459.453 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001545827019 1067177361 /nfs/dbraw/zinc/17/73/61/1067177361.db2.gz YXZLIWOOFRXREZ-INIZCTEOSA-N 0 0 466.561 4.850 20 0 JJADRN CC(C)c1ccc(OCc2nnc(SC[C@H](O)c3ccc(Cl)c(Cl)c3)n2N)cc1 ZINC001458863660 1067177377 /nfs/dbraw/zinc/17/73/77/1067177377.db2.gz VMWZOBDSMNABFH-SFHVURJKSA-N 0 0 453.395 4.827 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)c1 ZINC001451539648 1067177741 /nfs/dbraw/zinc/17/77/41/1067177741.db2.gz LYZZPVWXCWSCDK-UHFFFAOYSA-N 0 0 450.000 4.748 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1Cc1ccc(Cl)s1 ZINC001545827080 1067177822 /nfs/dbraw/zinc/17/78/22/1067177822.db2.gz ZRRQHLMUDRNLKU-CQSZACIVSA-N 0 0 462.019 4.863 20 0 JJADRN CCC(O)(CC)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001546031886 1067177959 /nfs/dbraw/zinc/17/79/59/1067177959.db2.gz XQVNMHAJFBJNMH-RBUKOAKNSA-N 0 0 496.656 4.717 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1Cc1ccoc1 ZINC001545827973 1067178333 /nfs/dbraw/zinc/17/83/33/1067178333.db2.gz HCVAONWXKAMTHY-IBGZPJMESA-N 0 0 492.393 4.747 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC001451570132 1067178454 /nfs/dbraw/zinc/17/84/54/1067178454.db2.gz ANLAGWXEBKVAEK-NVXWUHKLSA-N 0 0 451.405 4.581 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1CCCc2cccnc21 ZINC001545828266 1067178397 /nfs/dbraw/zinc/17/83/97/1067178397.db2.gz OUVIRKUXCXQLNE-AATLZSDMSA-N 0 0 452.647 4.727 20 0 JJADRN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545829102 1067179194 /nfs/dbraw/zinc/17/91/94/1067179194.db2.gz OJCWOEPEHYRGSV-DYESRHJHSA-N 0 0 454.368 4.535 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1CCc1ccc(F)c(F)c1F ZINC001545828372 1067179200 /nfs/dbraw/zinc/17/92/00/1067179200.db2.gz SEHJMHGTXXQAOM-UHFFFAOYSA-N 0 0 465.564 4.871 20 0 JJADRN COC(=O)CCn1c(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)nc2ccccc2c1=O ZINC001458866119 1067179218 /nfs/dbraw/zinc/17/92/18/1067179218.db2.gz XBVIHGMXWOBBMD-ZDUSSCGKSA-N 0 0 452.454 4.712 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001545828524 1067179220 /nfs/dbraw/zinc/17/92/20/1067179220.db2.gz XRZWQRSGJCYEHW-UHFFFAOYSA-N 0 0 490.530 4.657 20 0 JJADRN CCCc1c(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cnn1-c1ccccc1 ZINC001458866250 1067179224 /nfs/dbraw/zinc/17/92/24/1067179224.db2.gz XRWWUZWLLRGGMV-KRWDZBQOSA-N 0 0 453.340 4.652 20 0 JJADRN COc1cc(C)cc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 ZINC001546032363 1067179282 /nfs/dbraw/zinc/17/92/82/1067179282.db2.gz PXGIZURNVVVYEY-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN CCOc1ccccc1OCc1nnc(SCc2cccc(SC(F)(F)F)c2)n1N ZINC001458868669 1067179551 /nfs/dbraw/zinc/17/95/51/1067179551.db2.gz QKOOMIJXQYDBIM-UHFFFAOYSA-N 0 0 456.515 4.874 20 0 JJADRN CCc1ccccc1-n1c(SCC(=O)c2ccc(C(=O)OC)cc2)nc2ccccc2c1=O ZINC001458869696 1067179584 /nfs/dbraw/zinc/17/95/84/1067179584.db2.gz JPYGFNALKBTXQS-UHFFFAOYSA-N 0 0 458.539 4.710 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N(C)C2CCC(C)CC2)cc1F ZINC001458869784 1067180356 /nfs/dbraw/zinc/18/03/56/1067180356.db2.gz KQNCSMNGVOWYJT-UHFFFAOYSA-N 0 0 453.583 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001545829922 1067180491 /nfs/dbraw/zinc/18/04/91/1067180491.db2.gz JNVOEOTUEKBJIP-YLJYHZDGSA-N 0 0 474.650 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@H](C)c1c(C)noc1C ZINC001545829803 1067180544 /nfs/dbraw/zinc/18/05/44/1067180544.db2.gz HBBHNNRTKNVUHK-KSFYIVLOSA-N 0 0 464.614 4.729 20 0 JJADRN CCN(Cc1occc1C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001451627400 1067180791 /nfs/dbraw/zinc/18/07/91/1067180791.db2.gz AAKGEDIPYHMBEV-GOSISDBHSA-N 0 0 451.361 4.965 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545830304 1067180911 /nfs/dbraw/zinc/18/09/11/1067180911.db2.gz QZUUHBMYCSNXJS-KNQAVFIVSA-N 0 0 467.658 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCC=C(C)C ZINC001545830034 1067180967 /nfs/dbraw/zinc/18/09/67/1067180967.db2.gz LROQBGZFDKQOEK-QHCPKHFHSA-N 0 0 452.647 4.658 20 0 JJADRN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC001458872950 1067181769 /nfs/dbraw/zinc/18/17/69/1067181769.db2.gz LOTUOSLGBCURSH-HXUWFJFHSA-N 0 0 455.725 4.775 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001546033016 1067182334 /nfs/dbraw/zinc/18/23/34/1067182334.db2.gz KTNSEWSWNGUOCM-UHFFFAOYSA-N 0 0 463.667 4.570 20 0 JJADRN CCc1ccccc1-n1c(=O)c2ccccc2nc1SCCS(=O)(=O)C1CCCCC1 ZINC001458874239 1067182255 /nfs/dbraw/zinc/18/22/55/1067182255.db2.gz ZHNORWQJOYPBBI-UHFFFAOYSA-N 0 0 456.633 4.788 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1Cc1ccc(OC(C)C)nc1 ZINC001545830490 1067182383 /nfs/dbraw/zinc/18/23/83/1067182383.db2.gz WDRYNDSDYNOPCR-QHCPKHFHSA-N 0 0 476.625 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1Cc1ccncc1Cl ZINC001545832062 1067182981 /nfs/dbraw/zinc/18/29/81/1067182981.db2.gz FKMHAYNWBDXGIP-QGZVFWFLSA-N 0 0 455.006 4.533 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1c(O)cnc3c(Br)cccc31)C2 ZINC001451650460 1067183074 /nfs/dbraw/zinc/18/30/74/1067183074.db2.gz BTXZRZRHSSFTCL-UHFFFAOYSA-N 0 0 457.324 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)N[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC001458876281 1067183208 /nfs/dbraw/zinc/18/32/08/1067183208.db2.gz NYZBUZUCZWPSGQ-WMZOPIPTSA-N 0 0 450.526 4.722 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2(c3ccccc3)CC2)n1Cc1csc(C)c1 ZINC001545833754 1067183660 /nfs/dbraw/zinc/18/36/60/1067183660.db2.gz JHWJCQCZZJQZSS-UHFFFAOYSA-N 0 0 451.640 4.783 20 0 JJADRN CCc1cccc(C)c1Nc1nnc(S[C@H](C)C(=O)NC(=O)NCc2ccccc2)s1 ZINC001458877140 1067183741 /nfs/dbraw/zinc/18/37/41/1067183741.db2.gz HEQOQUVTHALVHN-OAHLLOKOSA-N 0 0 455.609 4.659 20 0 JJADRN CCc1cccc(C)c1Nc1nnc(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)s1 ZINC001458877136 1067183747 /nfs/dbraw/zinc/18/37/47/1067183747.db2.gz HEQOQUVTHALVHN-HNNXBMFYSA-N 0 0 455.609 4.659 20 0 JJADRN COCCCn1c(SCc2ccc3ncccc3c2)nnc1-c1ccc(OC)c(OC)c1 ZINC001458878753 1067184445 /nfs/dbraw/zinc/18/44/45/1067184445.db2.gz UBMVWQUAFJQYAQ-UHFFFAOYSA-N 0 0 450.564 4.839 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001451658495 1067184561 /nfs/dbraw/zinc/18/45/61/1067184561.db2.gz YQJZPUAWGUMFFF-QHCPKHFHSA-N 0 0 450.648 4.935 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c2ccccc2)cc1 ZINC001451659549 1067184574 /nfs/dbraw/zinc/18/45/74/1067184574.db2.gz HZYNWZQGWQEFGI-CVDCTZTESA-N 0 0 450.579 4.577 20 0 JJADRN Nn1c(SCc2noc(-c3cccc(Cl)c3Cl)n2)nnc1-c1ccc(Cl)cc1 ZINC001458879642 1067184873 /nfs/dbraw/zinc/18/48/73/1067184873.db2.gz DDOXTKFRJCSNLC-UHFFFAOYSA-N 0 0 453.742 4.961 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458882595 1067185513 /nfs/dbraw/zinc/18/55/13/1067185513.db2.gz MSEIPHXEEUIIKW-GOSISDBHSA-N 0 0 459.468 4.546 20 0 JJADRN Cn1c(=O)c2c(-c3cccs3)csc2nc1SCCS(=O)(=O)C1CCCCC1 ZINC001458884647 1067186195 /nfs/dbraw/zinc/18/61/95/1067186195.db2.gz GNQCRXUEUJDUOU-UHFFFAOYSA-N 0 0 454.664 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCc1ccc(Cl)s1 ZINC001545835120 1067186476 /nfs/dbraw/zinc/18/64/76/1067186476.db2.gz MATZTJBZKPYHKR-UHFFFAOYSA-N 0 0 481.453 4.839 20 0 JJADRN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 ZINC001458885542 1067186655 /nfs/dbraw/zinc/18/66/55/1067186655.db2.gz DRGPVTUUGMBQNB-AWEZNQCLSA-N 0 0 459.612 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001545835431 1067187613 /nfs/dbraw/zinc/18/76/13/1067187613.db2.gz XXRNXVRPZGNGLZ-XXBNENTESA-N 0 0 480.078 4.753 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001545835560 1067187738 /nfs/dbraw/zinc/18/77/38/1067187738.db2.gz DKXPMVQWRBVFHD-IBGZPJMESA-N 0 0 452.551 4.703 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(OCc3cccnc3)cc2)c1C ZINC001451719697 1067188440 /nfs/dbraw/zinc/18/84/40/1067188440.db2.gz FFYAQCSUYWKEGZ-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](CCC(=O)OC)CC3CCCCC3)c(=O)oc2c1 ZINC001451719540 1067188572 /nfs/dbraw/zinc/18/85/72/1067188572.db2.gz DCTPFVJTKCHJDB-HXUWFJFHSA-N 0 0 456.583 4.661 20 0 JJADRN FC(F)(F)Oc1cccc(CCSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)c1 ZINC001458894083 1067188603 /nfs/dbraw/zinc/18/86/03/1067188603.db2.gz SNEMOINIFWWZCX-GOSISDBHSA-N 0 0 456.534 4.681 20 0 JJADRN Cc1sc(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)nc1-c1ccco1 ZINC001451728040 1067188936 /nfs/dbraw/zinc/18/89/36/1067188936.db2.gz OSTSUICRAAJLQK-QGZVFWFLSA-N 0 0 453.564 4.737 20 0 JJADRN Cc1sc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)nc1-c1ccco1 ZINC001451728038 1067188986 /nfs/dbraw/zinc/18/89/86/1067188986.db2.gz OSTSUICRAAJLQK-KRWDZBQOSA-N 0 0 453.564 4.737 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001451735796 1067189748 /nfs/dbraw/zinc/18/97/48/1067189748.db2.gz DFPNJUXZLCLUIX-SJLPKXTDSA-N 0 0 479.046 4.830 20 0 JJADRN CCCC[C@@H](CC)Cn1c(SC[C@]2(C)NC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 ZINC001458897153 1067189761 /nfs/dbraw/zinc/18/97/61/1067189761.db2.gz ZGYUYPRUDKPYAP-SZNDQCEHSA-N 0 0 450.008 4.505 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 ZINC001545836388 1067189710 /nfs/dbraw/zinc/18/97/10/1067189710.db2.gz LGWFRCQFQQDYQK-OAHLLOKOSA-N 0 0 458.607 4.541 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1Cc1ccnc(C(F)(F)F)c1 ZINC001545836385 1067189751 /nfs/dbraw/zinc/18/97/51/1067189751.db2.gz LFBDUBVXYYOHMF-UHFFFAOYSA-N 0 0 496.484 4.573 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@@H]1CCCCS1 ZINC001545836428 1067189784 /nfs/dbraw/zinc/18/97/84/1067189784.db2.gz MVTHHUOVJRUYGL-IBGZPJMESA-N 0 0 450.052 4.772 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001451739015 1067190119 /nfs/dbraw/zinc/19/01/19/1067190119.db2.gz YWDYNAYGOPOXLD-MRXNPFEDSA-N 0 0 452.473 4.981 20 0 JJADRN CCc1ccc(-c2nc(Cn3ncc(Br)c(Br)c3=O)cs2)cc1 ZINC001458900607 1067190202 /nfs/dbraw/zinc/19/02/02/1067190202.db2.gz YASUHOLMHWPKOD-UHFFFAOYSA-N 0 0 455.175 4.503 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n[nH]1 ZINC001545837285 1067190909 /nfs/dbraw/zinc/19/09/09/1067190909.db2.gz VBESPJSJLHSYHM-QHCPKHFHSA-N 0 0 453.546 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CSc3n[nH]c(C=Cc4ccccc4)n3)C2)CC1 ZINC001458904173 1067191320 /nfs/dbraw/zinc/19/13/20/1067191320.db2.gz RARGTAZZENXEJF-YXBWYFRISA-N 0 0 456.612 4.873 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cccc(C(F)F)c1F)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904576 1067191388 /nfs/dbraw/zinc/19/13/88/1067191388.db2.gz MPKXZTIIINWYEG-NRFANRHFSA-N 0 0 459.468 4.659 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC(C)(C)C(C)C ZINC001545838858 1067191946 /nfs/dbraw/zinc/19/19/46/1067191946.db2.gz GMYUQLZHIAHTNC-UHFFFAOYSA-N 0 0 474.597 4.990 20 0 JJADRN O=C(NCCc1ccc2c(c1)CCO2)c1cccnc1Sc1ccc(Br)cc1 ZINC001458905328 1067192005 /nfs/dbraw/zinc/19/20/05/1067192005.db2.gz CWSMXSQQVDPGKD-UHFFFAOYSA-N 0 0 455.377 4.903 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccccc1C(F)(F)F ZINC001545838873 1067192116 /nfs/dbraw/zinc/19/21/16/1067192116.db2.gz HHXCQEHCXYHRAE-UHFFFAOYSA-N 0 0 473.490 4.745 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1sc(C)nc1-c1cccs1 ZINC001458905743 1067192069 /nfs/dbraw/zinc/19/20/69/1067192069.db2.gz GTOKTYQOTNCTKP-DEOSSOPVSA-N 0 0 454.617 4.890 20 0 JJADRN CCCCn1c(C)c(C)nc1SCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001458904728 1067192136 /nfs/dbraw/zinc/19/21/36/1067192136.db2.gz STJSWPRQCKLXCJ-UHFFFAOYSA-N 0 0 453.027 4.529 20 0 JJADRN CC[C@H]1CN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451803999 1067192700 /nfs/dbraw/zinc/19/27/00/1067192700.db2.gz IOTVGJQVNNXUNE-PMACEKPBSA-N 0 0 450.579 4.673 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CCc1ccc(F)cc1Cl ZINC001545839047 1067192727 /nfs/dbraw/zinc/19/27/27/1067192727.db2.gz MYIAHQINOOXHGP-UHFFFAOYSA-N 0 0 464.010 4.930 20 0 JJADRN CCCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)[C@H](CC)C(=O)OCC ZINC001458908536 1067193135 /nfs/dbraw/zinc/19/31/35/1067193135.db2.gz CLTYKKKWZIHFMW-MRXNPFEDSA-N 0 0 455.386 4.891 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001545839295 1067193318 /nfs/dbraw/zinc/19/33/18/1067193318.db2.gz XNRBEOCLMDNISU-JTSKRJEESA-N 0 0 484.670 4.504 20 0 JJADRN C[C@@H](c1ccccc1)n1c(SCC(=O)N2C[C@H](C)OC(C)(C)C2)nnc1-c1ccccc1 ZINC001458909432 1067193631 /nfs/dbraw/zinc/19/36/31/1067193631.db2.gz FTFSJPZXDWRHRI-OALUTQOASA-N 0 0 450.608 4.672 20 0 JJADRN C[C@H](c1ccccc1)n1c(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)nnc1-c1ccccc1 ZINC001458909442 1067193707 /nfs/dbraw/zinc/19/37/07/1067193707.db2.gz FTFSJPZXDWRHRI-RTBURBONSA-N 0 0 450.608 4.672 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001458910929 1067194270 /nfs/dbraw/zinc/19/42/70/1067194270.db2.gz FOQHQZAAWYNIDX-UHFFFAOYSA-N 0 0 452.889 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545841274 1067194458 /nfs/dbraw/zinc/19/44/58/1067194458.db2.gz ZVFKUQHKGKHPEU-TVPLGVNVSA-N 0 0 473.584 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1CCc1nc(C(C)(C)C)cs1 ZINC001545841793 1067194483 /nfs/dbraw/zinc/19/44/83/1067194483.db2.gz AJHNHUXXFWZELZ-UHFFFAOYSA-N 0 0 474.597 4.582 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCc2c1cccc2Br ZINC001451858290 1067194685 /nfs/dbraw/zinc/19/46/85/1067194685.db2.gz ILLXNHYKSQMUTH-UHFFFAOYSA-N 0 0 453.027 4.971 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C)C(=O)c1ccc(Cl)cc1 ZINC001451862079 1067195293 /nfs/dbraw/zinc/19/52/93/1067195293.db2.gz WOUNOPADZJJTIX-ZMMAXQRCSA-N 0 0 451.007 4.947 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(C)s2)C[C@H]1c1ccc(Br)cc1 ZINC001451871493 1067195325 /nfs/dbraw/zinc/19/53/25/1067195325.db2.gz BDPKULUTLSSWGT-RBUKOAKNSA-N 0 0 473.392 4.843 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)c1 ZINC001458915191 1067195407 /nfs/dbraw/zinc/19/54/07/1067195407.db2.gz MUTFDJDFVGOBNH-UHFFFAOYSA-N 0 0 457.979 4.951 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001545843803 1067195687 /nfs/dbraw/zinc/19/56/87/1067195687.db2.gz JQXFDYDHTYOURK-IBGZPJMESA-N 0 0 495.647 4.975 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001451898333 1067196465 /nfs/dbraw/zinc/19/64/65/1067196465.db2.gz MDGMCVFYYBXHNP-IAGOWNOFSA-N 0 0 458.580 4.752 20 0 JJADRN CC(C)C[C@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C(=O)OC(C)(C)C ZINC001451900951 1067196540 /nfs/dbraw/zinc/19/65/40/1067196540.db2.gz HNGHLRAUJBZUPW-OAHLLOKOSA-N 0 0 450.377 4.573 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001458917272 1067196586 /nfs/dbraw/zinc/19/65/86/1067196586.db2.gz RFNSANDEZSBEFG-UHFFFAOYSA-N 0 0 450.436 4.780 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CCc1ccc(Br)s1 ZINC001545845206 1067196890 /nfs/dbraw/zinc/19/68/90/1067196890.db2.gz ABHNXWFGTHGLGH-UHFFFAOYSA-N 0 0 480.476 4.785 20 0 JJADRN Cc1ccccc1C1(C(=O)Nc2ccc(Cl)c(I)c2)CCOCC1 ZINC001451906051 1067197282 /nfs/dbraw/zinc/19/72/82/1067197282.db2.gz AMHAPZCHGGXRTI-UHFFFAOYSA-N 0 0 455.723 4.940 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2c(F)cccc2F)n1C[C@H]1CCCCS1 ZINC001545845457 1067197339 /nfs/dbraw/zinc/19/73/39/1067197339.db2.gz HIXMQKWWNDUBFF-QGZVFWFLSA-N 0 0 465.614 4.787 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC001458921046 1067197728 /nfs/dbraw/zinc/19/77/28/1067197728.db2.gz CUNXBCCUAFVLDV-FHLIZLRMSA-N 0 0 453.149 4.895 20 0 JJADRN COc1ccc(CCC(=O)N(C)Cc2ccc(Br)c(F)c2)c(Br)c1 ZINC001458921039 1067197798 /nfs/dbraw/zinc/19/77/98/1067197798.db2.gz CUNHCGLSBHNDNG-UHFFFAOYSA-N 0 0 459.153 4.951 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001546104772 1067198839 /nfs/dbraw/zinc/19/88/39/1067198839.db2.gz IUGVPOWSGJFUPI-ATIYNZHBSA-N 0 0 456.631 4.723 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccccc1OC1CCCC1 ZINC001545847599 1067199254 /nfs/dbraw/zinc/19/92/54/1067199254.db2.gz WCDKCMLZRNRSQO-IBGZPJMESA-N 0 0 483.657 4.570 20 0 JJADRN COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC001451929058 1067199272 /nfs/dbraw/zinc/19/92/72/1067199272.db2.gz SKYXKJVBEPQNEN-UHFFFAOYSA-N 0 0 451.906 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2cc(Cl)ccc2Oc2cccc(F)c2)C1 ZINC001451939219 1067200005 /nfs/dbraw/zinc/20/00/05/1067200005.db2.gz UCQPYMAUSMFSGN-UHFFFAOYSA-N 0 0 450.894 4.582 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)nc1 ZINC001451941096 1067200091 /nfs/dbraw/zinc/20/00/91/1067200091.db2.gz VYNTZNCBIWCFIJ-FQEVSTJZSA-N 0 0 455.356 4.532 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC001458930577 1067200599 /nfs/dbraw/zinc/20/05/99/1067200599.db2.gz KIMZINVDJMRLKK-RHSMWYFYSA-N 0 0 453.589 4.912 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001451946238 1067200616 /nfs/dbraw/zinc/20/06/16/1067200616.db2.gz PRKHNFYYJMEJBX-IAGOWNOFSA-N 0 0 450.004 4.814 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001545848710 1067200603 /nfs/dbraw/zinc/20/06/03/1067200603.db2.gz FEUAKCZVCNNFEA-AQNXPRMDSA-N 0 0 453.631 4.635 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC001451970354 1067201043 /nfs/dbraw/zinc/20/10/43/1067201043.db2.gz ONSKRSSRMYEDFC-UHFFFAOYSA-N 0 0 456.415 4.672 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451953534 1067201268 /nfs/dbraw/zinc/20/12/68/1067201268.db2.gz VAKLITUGXJXDNL-MAODMQOUSA-N 0 0 453.583 4.652 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001545848892 1067201537 /nfs/dbraw/zinc/20/15/37/1067201537.db2.gz HRBFNTKGUPFTTD-HUUCEWRRSA-N 0 0 469.527 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2CC)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545848978 1067201805 /nfs/dbraw/zinc/20/18/05/1067201805.db2.gz IODVZZQLMWKISA-RXVVDRJESA-N 0 0 468.646 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545849063 1067202167 /nfs/dbraw/zinc/20/21/67/1067202167.db2.gz JPRHUCRQTUZPIZ-JKSUJKDBSA-N 0 0 481.563 4.897 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001545849080 1067202197 /nfs/dbraw/zinc/20/21/97/1067202197.db2.gz JYLMZBNMQBFMLD-HOTGVXAUSA-N 0 0 450.002 4.714 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001451988036 1067202339 /nfs/dbraw/zinc/20/23/39/1067202339.db2.gz IAMIPXIUDHXACZ-MHECFPHRSA-N 0 0 459.587 4.933 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001451989596 1067202417 /nfs/dbraw/zinc/20/24/17/1067202417.db2.gz AXRJRDJNMUTDMO-PGRDOPGGSA-N 0 0 458.521 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001545849192 1067202599 /nfs/dbraw/zinc/20/25/99/1067202599.db2.gz LMMFDCPQAZUERE-MNHFLQJXSA-N 0 0 467.658 4.847 20 0 JJADRN COc1ccc(OC)c(-n2nnnc2SCCCCOc2cccc(C(F)(F)F)c2)c1 ZINC001458937765 1067203036 /nfs/dbraw/zinc/20/30/36/1067203036.db2.gz VJUMGVOJKGPMFW-UHFFFAOYSA-N 0 0 454.474 4.650 20 0 JJADRN O=C1[C@@H](Sc2nnc(Cc3ccccc3F)o2)CCN1c1cccc(OC(F)(F)F)c1 ZINC001458937805 1067203442 /nfs/dbraw/zinc/20/34/42/1067203442.db2.gz AXJMPUHKMYEHFD-INIZCTEOSA-N 0 0 453.417 4.596 20 0 JJADRN C[C@H]1CC2(CN1C(=O)c1cnn(-c3ccccc3Cl)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452012852 1067203605 /nfs/dbraw/zinc/20/36/05/1067203605.db2.gz ITFLTTFKZKNDKZ-KRWDZBQOSA-N 0 0 458.990 4.777 20 0 JJADRN Cc1c(C(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)cnn1-c1cccc(C)c1 ZINC001452020662 1067203629 /nfs/dbraw/zinc/20/36/29/1067203629.db2.gz USWIRDDUOPKICZ-LJQANCHMSA-N 0 0 452.599 4.741 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)cc2)c(C)c1Br ZINC001452012946 1067203694 /nfs/dbraw/zinc/20/36/94/1067203694.db2.gz QUOPAOZSVREHDV-TZIWHRDSSA-N 0 0 474.786 4.853 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccccc1OCC1CC1 ZINC001545849744 1067203820 /nfs/dbraw/zinc/20/38/20/1067203820.db2.gz TZZXBBYUJJJSSG-KDURUIRLSA-N 0 0 453.631 4.516 20 0 JJADRN CCSc1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c(Br)c1 ZINC001458943631 1067203956 /nfs/dbraw/zinc/20/39/56/1067203956.db2.gz LMWFFIOEGHBWEL-UHFFFAOYSA-N 0 0 451.371 4.558 20 0 JJADRN C[C@H]1CC2(CN1C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452023093 1067204073 /nfs/dbraw/zinc/20/40/73/1067204073.db2.gz FLALSWSZEGNPCF-SLFFLAALSA-N 0 0 479.662 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CCOc1cccc(C)c1 ZINC001545849880 1067204116 /nfs/dbraw/zinc/20/41/16/1067204116.db2.gz WEJHUGRSZWGNSL-PMOQBDJRSA-N 0 0 453.631 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CCOc1cccc(C)c1 ZINC001545849881 1067204182 /nfs/dbraw/zinc/20/41/82/1067204182.db2.gz WEJHUGRSZWGNSL-VJBMBRPKSA-N 0 0 453.631 4.599 20 0 JJADRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 ZINC001452038087 1067204645 /nfs/dbraw/zinc/20/46/45/1067204645.db2.gz AAQWZCSTTJHXDT-HXUWFJFHSA-N 0 0 455.481 4.678 20 0 JJADRN COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3F)o2)cc1OC ZINC001458946417 1067204725 /nfs/dbraw/zinc/20/47/25/1067204725.db2.gz SKRZYKOJFLDWMJ-LLVKDONJSA-N 0 0 451.907 4.589 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)CCc3nc4cc(Br)ccc4s3)cc2)nn1 ZINC001458950733 1067205748 /nfs/dbraw/zinc/20/57/48/1067205748.db2.gz BVNAJHWBRFCKSV-UHFFFAOYSA-N 0 0 457.353 4.875 20 0 JJADRN COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(C(C)=O)c(F)c3)c2C)cc1OC ZINC001458948888 1067205764 /nfs/dbraw/zinc/20/57/64/1067205764.db2.gz NRXLKWIGAMFALJ-UHFFFAOYSA-N 0 0 453.510 4.968 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)N[C@H]1CCc2ncsc2C1 ZINC001452064993 1067205963 /nfs/dbraw/zinc/20/59/63/1067205963.db2.gz IWTLANAYHGBJTG-INIZCTEOSA-N 0 0 454.377 4.524 20 0 JJADRN O=C(CSc1ccnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001458950764 1067206312 /nfs/dbraw/zinc/20/63/12/1067206312.db2.gz RSZMJHJICHBSLU-UHFFFAOYSA-N 0 0 455.605 4.530 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccc3scc(Br)c3c2)cc1Cl ZINC001458951418 1067206439 /nfs/dbraw/zinc/20/64/39/1067206439.db2.gz MGJPHNVMFFNFOW-UHFFFAOYSA-N 0 0 458.786 4.651 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3-n3cnnn3)n2)cc1 ZINC001452085465 1067206619 /nfs/dbraw/zinc/20/66/19/1067206619.db2.gz INPQMDZKAXNDMM-UHFFFAOYSA-N 0 0 454.943 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@]3(C)Cc3cccc(F)c3)n[nH]2)C1 ZINC001452094300 1067206988 /nfs/dbraw/zinc/20/69/88/1067206988.db2.gz UYEVAGWMAOYVEM-IQGLISFBSA-N 0 0 456.562 4.511 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2ccccc2C1 ZINC001546035727 1067207158 /nfs/dbraw/zinc/20/71/58/1067207158.db2.gz YEFMZTFVWDGFOG-UHFFFAOYSA-N 0 0 483.657 4.506 20 0 JJADRN O=C(OCc1cc(Cl)c(Cl)c(Cl)c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC001458953358 1067207486 /nfs/dbraw/zinc/20/74/86/1067207486.db2.gz ZZEQZDBQFHXSJK-UHFFFAOYSA-N 0 0 454.784 4.850 20 0 JJADRN CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001452104014 1067207714 /nfs/dbraw/zinc/20/77/14/1067207714.db2.gz OJTMHUYGHNSZKL-QHCPKHFHSA-N 0 0 456.336 4.527 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001452107407 1067207721 /nfs/dbraw/zinc/20/77/21/1067207721.db2.gz ZAAHKEBTEIRMDH-GOSISDBHSA-N 0 0 458.559 4.596 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001546035783 1067207784 /nfs/dbraw/zinc/20/77/84/1067207784.db2.gz ZMQISJDSXBALPG-NRFANRHFSA-N 0 0 477.657 4.509 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](C)OC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001458954702 1067207887 /nfs/dbraw/zinc/20/78/87/1067207887.db2.gz HBYMOFUOAZWTPX-LLVKDONJSA-N 0 0 455.301 4.964 20 0 JJADRN C[C@H](CN(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458955453 1067207954 /nfs/dbraw/zinc/20/79/54/1067207954.db2.gz IZVVDRXSLDEWAH-LLVKDONJSA-N 0 0 450.771 4.590 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)ccc1F ZINC001546035994 1067208186 /nfs/dbraw/zinc/20/81/86/1067208186.db2.gz GYHXSBXOAPPHQH-UHFFFAOYSA-N 0 0 456.543 4.745 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC001452137357 1067208215 /nfs/dbraw/zinc/20/82/15/1067208215.db2.gz NARGLZOKPORNFQ-JWQCQUIFSA-N 0 0 459.590 4.826 20 0 JJADRN CCCCCOc1ccc(Br)cc1CSc1nnc([C@H]2CCCCO2)n1N ZINC001458955945 1067208493 /nfs/dbraw/zinc/20/84/93/1067208493.db2.gz CDKCJRIMQAYEAM-QGZVFWFLSA-N 0 0 455.422 4.857 20 0 JJADRN CCc1c(NC(=O)COc2ccc(CCC(C)=O)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458957320 1067208508 /nfs/dbraw/zinc/20/85/08/1067208508.db2.gz VOPZXXHDCZAJPO-UHFFFAOYSA-N 0 0 459.468 4.993 20 0 JJADRN C[C@H](CN(C)C(=O)c1cc(Br)c2nccn2c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458957223 1067208550 /nfs/dbraw/zinc/20/85/50/1067208550.db2.gz MGGVXRQOEQJWMA-LLVKDONJSA-N 0 0 457.155 4.943 20 0 JJADRN COc1cc(OC)c(NC(=O)CCSc2n[nH]c(-c3cc(F)cc(F)c3)n2)cc1Cl ZINC001458955971 1067208555 /nfs/dbraw/zinc/20/85/55/1067208555.db2.gz FGIZKOQSNYDYHH-UHFFFAOYSA-N 0 0 454.886 4.541 20 0 JJADRN CCCCCOc1ccc(Br)cc1CSc1nnc([C@@H]2CCCCO2)n1N ZINC001458955944 1067208564 /nfs/dbraw/zinc/20/85/64/1067208564.db2.gz CDKCJRIMQAYEAM-KRWDZBQOSA-N 0 0 455.422 4.857 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001452139097 1067208777 /nfs/dbraw/zinc/20/87/77/1067208777.db2.gz RRCAWQABRJUPJA-PKTZIBPZSA-N 0 0 454.636 4.762 20 0 JJADRN CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3cnc(-c4ccc(Br)s4)nc3)cc2C1 ZINC001452150304 1067209929 /nfs/dbraw/zinc/20/99/29/1067209929.db2.gz LFOFRFUYOZYTSH-UHFFFAOYSA-N 0 0 459.369 4.835 20 0 JJADRN CC[C@](O)(C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1cccc(Cl)c1 ZINC001452150474 1067210005 /nfs/dbraw/zinc/21/00/05/1067210005.db2.gz MICROFKAEJAWHB-GOSISDBHSA-N 0 0 452.761 4.857 20 0 JJADRN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452151495 1067210052 /nfs/dbraw/zinc/21/00/52/1067210052.db2.gz OPRLGGATVFYFEO-UHFFFAOYSA-N 0 0 458.341 4.511 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001458962764 1067210050 /nfs/dbraw/zinc/21/00/50/1067210050.db2.gz XBGMMIPYBMNTFH-JCQPUDPBSA-N 0 0 458.873 4.605 20 0 JJADRN C[C@@H]1CC2(CN1C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)CCOCC2 ZINC001452153988 1067210411 /nfs/dbraw/zinc/21/04/11/1067210411.db2.gz USWIDNXAKYMXKZ-MRXNPFEDSA-N 0 0 457.368 4.733 20 0 JJADRN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001458963779 1067210508 /nfs/dbraw/zinc/21/05/08/1067210508.db2.gz XNDIUKDEQOTOQW-CHWSQXEVSA-N 0 0 457.304 4.550 20 0 JJADRN CCOc1cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)ccc1OCc1cccnc1 ZINC001452153029 1067210578 /nfs/dbraw/zinc/21/05/78/1067210578.db2.gz NOHAILPLPVMQBL-AVRWGWEMSA-N 0 0 450.510 4.801 20 0 JJADRN C[C@@H](CN(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC001458963824 1067211112 /nfs/dbraw/zinc/21/11/12/1067211112.db2.gz XSRZQXJOGYYXQZ-NSHDSACASA-N 0 0 450.288 4.623 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452177635 1067212101 /nfs/dbraw/zinc/21/21/01/1067212101.db2.gz JJDLOFQNRCVTLN-QHCPKHFHSA-N 0 0 459.464 4.947 20 0 JJADRN O=C(Nc1ccsc1C(=O)N1CC[C@H](c2cccnc2)C1)c1ccc(Br)cc1 ZINC001452179764 1067212726 /nfs/dbraw/zinc/21/27/26/1067212726.db2.gz LUOSFIZHOCQZPA-INIZCTEOSA-N 0 0 456.365 4.788 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452183923 1067213249 /nfs/dbraw/zinc/21/32/49/1067213249.db2.gz SLAQMGBADPWOCV-SFHVURJKSA-N 0 0 450.482 4.794 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cn1 ZINC001452228340 1067214665 /nfs/dbraw/zinc/21/46/65/1067214665.db2.gz AGYWRZTUKOTDGY-SIBVEZHUSA-N 0 0 457.574 4.960 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC001458975795 1067214838 /nfs/dbraw/zinc/21/48/38/1067214838.db2.gz JXPLSVOQKBJPJT-UHFFFAOYSA-N 0 0 456.530 4.667 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001452222020 1067214828 /nfs/dbraw/zinc/21/48/28/1067214828.db2.gz GOADWXJRGCULDE-ZIAGYGMSSA-N 0 0 454.493 4.621 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452232053 1067215158 /nfs/dbraw/zinc/21/51/58/1067215158.db2.gz FSBUAEXIOCPWCW-RDTXWAMCSA-N 0 0 451.489 4.639 20 0 JJADRN Cc1nc2cc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001452232233 1067215211 /nfs/dbraw/zinc/21/52/11/1067215211.db2.gz KUGIDMLCKBOUQH-HOTGVXAUSA-N 0 0 456.612 4.876 20 0 JJADRN CC1(CC(F)F)CN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 ZINC001452230370 1067215272 /nfs/dbraw/zinc/21/52/72/1067215272.db2.gz QNLMAWKBCLOPHX-UHFFFAOYSA-N 0 0 452.914 4.777 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCSc2nnc(-c3cccs3)n2Cc2ccco2)c1 ZINC001458977716 1067215806 /nfs/dbraw/zinc/21/58/06/1067215806.db2.gz LHFILHYESQDISO-UHFFFAOYSA-N 0 0 459.618 4.912 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Br ZINC001452254972 1067216232 /nfs/dbraw/zinc/21/62/32/1067216232.db2.gz CRYCCUPYJHYZGD-QRFRQXIXSA-N 0 0 459.384 4.935 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Oc1cc(F)cc(I)c1 ZINC001458979511 1067216149 /nfs/dbraw/zinc/21/61/49/1067216149.db2.gz FSUVZQVITLKGFT-UHFFFAOYSA-N 0 0 452.219 4.836 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC001458978810 1067216266 /nfs/dbraw/zinc/21/62/66/1067216266.db2.gz OZPUPOOPMCDWCO-UHFFFAOYSA-N 0 0 451.596 4.516 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)NCCCc1ccccc1 ZINC001458983067 1067218097 /nfs/dbraw/zinc/21/80/97/1067218097.db2.gz DBRHIOJACLFVIL-UHFFFAOYSA-N 0 0 450.539 4.567 20 0 JJADRN CCOC(=O)c1cn(Cc2cc(Cl)ccc2OC)c2cc(Br)ccc2c1=O ZINC001458983935 1067218593 /nfs/dbraw/zinc/21/85/93/1067218593.db2.gz RAWGGFBPLMKJPF-UHFFFAOYSA-N 0 0 450.716 4.651 20 0 JJADRN Cc1ccc([C@@H](O)[C@H](C)NC(=O)CCCCc2ccc(I)cc2)cc1 ZINC001452306592 1067219439 /nfs/dbraw/zinc/21/94/39/1067219439.db2.gz FJVPGMYCQMINDX-KKSFZXQISA-N 0 0 451.348 4.551 20 0 JJADRN CCOC(=O)[C@@H](CC)S[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC001458985776 1067219573 /nfs/dbraw/zinc/21/95/73/1067219573.db2.gz ZCOZWZQYSOPGIT-TVQRCGJNSA-N 0 0 453.196 4.614 20 0 JJADRN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC001458985677 1067219670 /nfs/dbraw/zinc/21/96/70/1067219670.db2.gz XUIBXGRKGOEDFG-UHFFFAOYSA-N 0 0 457.539 4.554 20 0 JJADRN O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1ccc(COc2cccc(Br)c2)o1 ZINC001452342406 1067220282 /nfs/dbraw/zinc/22/02/82/1067220282.db2.gz IYILXVQLUMSJBW-UHFFFAOYSA-N 0 0 452.308 4.941 20 0 JJADRN Cc1ccc(-c2nnc(SCCCS(=O)(=O)c3ccccc3)n2Cc2ccco2)cc1 ZINC001458987346 1067220639 /nfs/dbraw/zinc/22/06/39/1067220639.db2.gz WZHSCMSLWYFSAR-UHFFFAOYSA-N 0 0 453.589 4.851 20 0 JJADRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2N)c1 ZINC001458987758 1067221251 /nfs/dbraw/zinc/22/12/51/1067221251.db2.gz JXNHGPLSMZMXRS-STQMWFEESA-N 0 0 450.395 4.632 20 0 JJADRN COc1cc(Cl)c(Cl)cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001458989321 1067221707 /nfs/dbraw/zinc/22/17/07/1067221707.db2.gz DTBHHTKAWZTWDJ-UHFFFAOYSA-N 0 0 452.363 4.681 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)c4ccccc4Br)n3N)n[nH]2)cc1 ZINC001458989470 1067221735 /nfs/dbraw/zinc/22/17/35/1067221735.db2.gz PYIGRQZRVCCXRH-ZDUSSCGKSA-N 0 0 455.385 4.973 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@H]2CCC3(CCCCC3)O2)ccc1OCc1c(C)noc1C ZINC001458989920 1067221745 /nfs/dbraw/zinc/22/17/45/1067221745.db2.gz OKQMYWFNCAFUJV-IZUALYBUSA-N 0 0 454.567 4.890 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](Cc2ccccc2)c2ncco2)cc1 ZINC001452408110 1067221961 /nfs/dbraw/zinc/22/19/61/1067221961.db2.gz UNPAESMCAZRYHH-SFHVURJKSA-N 0 0 451.324 4.645 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001452414367 1067222278 /nfs/dbraw/zinc/22/22/78/1067222278.db2.gz CWCZEGZYJUZVNY-FCHUYYIVSA-N 0 0 454.567 4.768 20 0 JJADRN C[C@](CO)(NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 ZINC001452413313 1067222287 /nfs/dbraw/zinc/22/22/87/1067222287.db2.gz LODOGDCFEBBRRY-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN COc1ccc(-n2c(S[C@H](C(=O)N3CCC[C@H](C)C3)C(C)C)nnc2-c2ccco2)cc1 ZINC001458992449 1067222595 /nfs/dbraw/zinc/22/25/95/1067222595.db2.gz HWBLVVDREFEIQG-UWJYYQICSA-N 0 0 454.596 4.911 20 0 JJADRN COc1ccc(Br)cc1-c1nc(Cn2nnnc2/C=C/c2ccccc2)cs1 ZINC001458994157 1067223358 /nfs/dbraw/zinc/22/33/58/1067223358.db2.gz GGWDOVFIKVIFPO-JXMROGBWSA-N 0 0 454.353 4.786 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001452438546 1067223947 /nfs/dbraw/zinc/22/39/47/1067223947.db2.gz MQSZMEOMKNWTCX-RBUKOAKNSA-N 0 0 452.776 4.709 20 0 JJADRN CCc1nc(C(=O)N[C@H](c2ccccc2)C2(CO)CCC2)nn1-c1c(Cl)cccc1Cl ZINC001452441904 1067224338 /nfs/dbraw/zinc/22/43/38/1067224338.db2.gz QHHHCWKDMOLOHX-HXUWFJFHSA-N 0 0 459.377 4.770 20 0 JJADRN CCCc1c(C(=O)N2CCOc3cccc(Br)c3C2)cnn1-c1ccc(C)cc1 ZINC001452450615 1067224702 /nfs/dbraw/zinc/22/47/02/1067224702.db2.gz DXONNNJRBDDOHW-UHFFFAOYSA-N 0 0 454.368 4.931 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1 ZINC001458997530 1067224777 /nfs/dbraw/zinc/22/47/77/1067224777.db2.gz RSDZOXJEEJDQNK-UHFFFAOYSA-N 0 0 456.564 4.527 20 0 JJADRN O=C(c1nccnc1SCc1ccccc1)N1CCOc2cccc(Br)c2C1 ZINC001452450430 1067224874 /nfs/dbraw/zinc/22/48/74/1067224874.db2.gz BCPDIDIWKWWTJQ-UHFFFAOYSA-N 0 0 456.365 4.566 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452456549 1067225426 /nfs/dbraw/zinc/22/54/26/1067225426.db2.gz ZCVAGHCOXUXFDT-LBPRGKRZSA-N 0 0 459.262 4.517 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCC1CCN(CC(F)(F)F)CC1 ZINC001459000467 1067225737 /nfs/dbraw/zinc/22/57/37/1067225737.db2.gz OQPUKBDEKGOUSZ-UHFFFAOYSA-N 0 0 454.920 4.852 20 0 JJADRN C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC001458999205 1067225805 /nfs/dbraw/zinc/22/58/05/1067225805.db2.gz LIYDFIMIYVZBOK-WFXMLNOXSA-N 0 0 454.596 4.674 20 0 JJADRN CCOc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C(=O)OC)C(C)(C)C)cc1 ZINC001459000802 1067225823 /nfs/dbraw/zinc/22/58/23/1067225823.db2.gz YOMOKYGKUUOHRP-NRFANRHFSA-N 0 0 455.580 4.925 20 0 JJADRN Cc1ccc(-c2nnc(SCCS(=O)(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC001459000826 1067226229 /nfs/dbraw/zinc/22/62/29/1067226229.db2.gz ZHYZHOOJKKAOJF-UHFFFAOYSA-N 0 0 450.589 4.777 20 0 JJADRN CCc1c(NC(=O)[C@@H](CC)Cc2cccc(Br)c2)nnn1Cc1ccc(F)cc1 ZINC001459001942 1067226287 /nfs/dbraw/zinc/22/62/87/1067226287.db2.gz TTWKBKVNZWHXLG-KRWDZBQOSA-N 0 0 459.363 4.998 20 0 JJADRN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001452466250 1067226338 /nfs/dbraw/zinc/22/63/38/1067226338.db2.gz QRURYYPAZXXBOL-SFHVURJKSA-N 0 0 455.407 4.805 20 0 JJADRN O=C(NCCCSc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1)C(F)(F)F ZINC001459003064 1067226738 /nfs/dbraw/zinc/22/67/38/1067226738.db2.gz VTTJKAGDNKOBKD-UHFFFAOYSA-N 0 0 458.868 4.888 20 0 JJADRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)C1 ZINC001452481618 1067226705 /nfs/dbraw/zinc/22/67/05/1067226705.db2.gz LTALOTVPMBQRCD-LPHOPBHVSA-N 0 0 454.380 4.709 20 0 JJADRN C[C@H](C(=O)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001459001962 1067226803 /nfs/dbraw/zinc/22/68/03/1067226803.db2.gz UBPFXVHWWVMEGJ-YUSALJHKSA-N 0 0 452.256 4.619 20 0 JJADRN Cc1ccccc1C1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CC1 ZINC001546105440 1067227589 /nfs/dbraw/zinc/22/75/89/1067227589.db2.gz ICBSIAOQHPBNDV-UHFFFAOYSA-N 0 0 456.951 4.825 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cn1 ZINC001459004089 1067227648 /nfs/dbraw/zinc/22/76/48/1067227648.db2.gz KFRJHVZDDVSNNU-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN C[C@@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452491440 1067227833 /nfs/dbraw/zinc/22/78/33/1067227833.db2.gz FDZSIYBFTKXXKZ-URZJWIJPSA-N 0 0 451.563 4.746 20 0 JJADRN 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CC(=O)Nc1cccc2c1CCN(C(=O)c1ccsc1NC(=O)c1ccccc1Cl)C2 ZINC001452492691 1067228211 /nfs/dbraw/zinc/22/82/11/1067228211.db2.gz ZRHCFNCHJUILCO-UHFFFAOYSA-N 0 0 453.951 4.811 20 0 JJADRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001459008310 1067228240 /nfs/dbraw/zinc/22/82/40/1067228240.db2.gz UBZHVYRSQSUAOX-INIZCTEOSA-N 0 0 450.486 4.809 20 0 JJADRN CC(C)(Oc1ccc(F)cc1)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459006387 1067228248 /nfs/dbraw/zinc/22/82/48/1067228248.db2.gz UYJWYYFEVIOOJB-UHFFFAOYSA-N 0 0 450.348 4.953 20 0 JJADRN O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001546039353 1067229088 /nfs/dbraw/zinc/22/90/88/1067229088.db2.gz VZSQKOKNVKSXRM-UHFFFAOYSA-N 0 0 454.246 4.574 20 0 JJADRN C[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498842 1067229094 /nfs/dbraw/zinc/22/90/94/1067229094.db2.gz PPAPOYRXHFHYRY-WNRNVDISSA-N 0 0 452.636 4.531 20 0 JJADRN C[C@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498836 1067229114 /nfs/dbraw/zinc/22/91/14/1067229114.db2.gz PPAPOYRXHFHYRY-FJIDUMEYSA-N 0 0 452.636 4.531 20 0 JJADRN C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452498508 1067229163 /nfs/dbraw/zinc/22/91/63/1067229163.db2.gz NEDSAMMWSUJNPA-QXCZDIPSSA-N 0 0 452.636 4.579 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)cc(Br)c1=O)Nc1ccccc1-c1ccccc1 ZINC001459018153 1067230234 /nfs/dbraw/zinc/23/02/34/1067230234.db2.gz FIKNICJLGQMZEV-UHFFFAOYSA-N 0 0 451.242 4.935 20 0 JJADRN CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1 ZINC001459019512 1067230283 /nfs/dbraw/zinc/23/02/83/1067230283.db2.gz RXNDUJWHCWHSBH-QGZVFWFLSA-N 0 0 451.610 4.874 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC(CCCn4ccnc4)CC3)s2)cc1OC ZINC001546105585 1067230725 /nfs/dbraw/zinc/23/07/25/1067230725.db2.gz OPIDKOBDCROEKP-UHFFFAOYSA-N 0 0 454.596 4.665 20 0 JJADRN CO[C@@H](CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(F)(F)F ZINC001459024674 1067231317 /nfs/dbraw/zinc/23/13/17/1067231317.db2.gz MLGOICOHDOKDHW-IBGZPJMESA-N 0 0 451.876 4.949 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)[C@H]1c1cccnc1 ZINC001459027783 1067232308 /nfs/dbraw/zinc/23/23/08/1067232308.db2.gz KAUKUEDZBYBTMX-OXJNMPFZSA-N 0 0 465.903 4.511 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC001459028873 1067232608 /nfs/dbraw/zinc/23/26/08/1067232608.db2.gz AXFGSDWOUGRTRV-MGPUTAFESA-N 0 0 459.384 4.706 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC001459028919 1067232724 /nfs/dbraw/zinc/23/27/24/1067232724.db2.gz BLZJUWYJSVQXIV-INIZCTEOSA-N 0 0 455.352 4.852 20 0 JJADRN CS[C@@H](C)CNC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001546040260 1067233721 /nfs/dbraw/zinc/23/37/21/1067233721.db2.gz BATMWOHBWNIFNU-INIZCTEOSA-N 0 0 450.560 4.800 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C4CC4)c[nH]3)cc2)c(C)c1C ZINC001452555891 1067233769 /nfs/dbraw/zinc/23/37/69/1067233769.db2.gz RAFFKZCCRKKSRW-UHFFFAOYSA-N 0 0 452.580 4.882 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459032714 1067234207 /nfs/dbraw/zinc/23/42/07/1067234207.db2.gz XSURYZJQXDUWNI-UHFFFAOYSA-N 0 0 450.686 4.625 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1ccc(I)cc1 ZINC001459032844 1067234329 /nfs/dbraw/zinc/23/43/29/1067234329.db2.gz XEUZVDJWNWHHMP-UHFFFAOYSA-N 0 0 453.223 4.784 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)nn1)CCCC2 ZINC001459031417 1067234353 /nfs/dbraw/zinc/23/43/53/1067234353.db2.gz HJPRPEOJSSEADG-JTQLQIEISA-N 0 0 459.515 4.732 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)nn1-c1c(Cl)cccc1Cl ZINC001452563596 1067234654 /nfs/dbraw/zinc/23/46/54/1067234654.db2.gz LHZRLKOUZZXCSC-GOSISDBHSA-N 0 0 451.398 4.781 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1(CO)CC=CC1 ZINC001452565992 1067234705 /nfs/dbraw/zinc/23/47/05/1067234705.db2.gz PWYSDRBKIUAXBQ-OAQYLSRUSA-N 0 0 453.633 4.920 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001459033320 1067234841 /nfs/dbraw/zinc/23/48/41/1067234841.db2.gz MBNVYSPTPXQGGO-KKSFZXQISA-N 0 0 454.979 4.934 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cn1)c1ccccc1 ZINC001452568741 1067235245 /nfs/dbraw/zinc/23/52/45/1067235245.db2.gz PIIHZYLWTGWELW-YYWHXJBOSA-N 0 0 451.567 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2Br)C12CCC2 ZINC001452574353 1067235251 /nfs/dbraw/zinc/23/52/51/1067235251.db2.gz ZKMFRMNWMSSZEU-IAGOWNOFSA-N 0 0 451.405 4.679 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC001459034852 1067235424 /nfs/dbraw/zinc/23/54/24/1067235424.db2.gz NPLDTJZMNQURPS-YFXJRYMSSA-N 0 0 458.986 4.970 20 0 JJADRN COc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc(Br)c1OC ZINC001459035730 1067235754 /nfs/dbraw/zinc/23/57/54/1067235754.db2.gz OXPTXYAEDWQHCL-KPZWWZAWSA-N 0 0 454.748 4.722 20 0 JJADRN COc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc(Br)c1OC ZINC001459035732 1067235864 /nfs/dbraw/zinc/23/58/64/1067235864.db2.gz OXPTXYAEDWQHCL-KZULUSFZSA-N 0 0 454.748 4.722 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 ZINC001459038733 1067236145 /nfs/dbraw/zinc/23/61/45/1067236145.db2.gz CHNCIBVZQRQERW-UHFFFAOYSA-N 0 0 450.438 4.805 20 0 JJADRN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3c(o2)c(Cl)cc(Cl)c3Cl)C1 ZINC001459039099 1067236200 /nfs/dbraw/zinc/23/62/00/1067236200.db2.gz HXEVIJKCOMUOLY-VIFPVBQESA-N 0 0 451.759 4.682 20 0 JJADRN CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001452604987 1067236277 /nfs/dbraw/zinc/23/62/77/1067236277.db2.gz RMELPBIROHZHBM-PKOBYXMFSA-N 0 0 455.908 4.799 20 0 JJADRN CCCOc1ccc(COC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c(C)c1 ZINC001452609832 1067236802 /nfs/dbraw/zinc/23/68/02/1067236802.db2.gz MTCCRWIHUILIBN-QHCPKHFHSA-N 0 0 457.567 4.972 20 0 JJADRN Cc1ccc(S(=O)(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC001459039843 1067236923 /nfs/dbraw/zinc/23/69/23/1067236923.db2.gz PTILCDOJRHEFRV-UHFFFAOYSA-N 0 0 454.491 4.821 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c(OC)c1 ZINC001459041986 1067237201 /nfs/dbraw/zinc/23/72/01/1067237201.db2.gz MVIFTFUUEHMIDO-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN COc1ccc(C(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1-c1ccccn1 ZINC001459041588 1067237384 /nfs/dbraw/zinc/23/73/84/1067237384.db2.gz KXRZYMSUZKAOLQ-UHFFFAOYSA-N 0 0 459.546 4.938 20 0 JJADRN CCOc1cc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)cc(OCC)c1OCC ZINC001452614103 1067237309 /nfs/dbraw/zinc/23/73/09/1067237309.db2.gz UCMKYNZYDKUMEL-VQTJNVASSA-N 0 0 475.969 4.565 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCOc2ccc(C)cc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001452613427 1067237370 /nfs/dbraw/zinc/23/73/70/1067237370.db2.gz NUNJVWNLYAHZLX-RBUKOAKNSA-N 0 0 450.362 4.876 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3cccc(OC4CCCC4)c3)cc2Br)CC1 ZINC001459044339 1067237851 /nfs/dbraw/zinc/23/78/51/1067237851.db2.gz MVONXSWNMUFDOE-UHFFFAOYSA-N 0 0 458.400 4.775 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H]1c1ccccc1 ZINC001452626527 1067238356 /nfs/dbraw/zinc/23/83/56/1067238356.db2.gz FWDGADZWOWVXQT-YTFSRNRJSA-N 0 0 480.605 4.694 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n[nH]1 ZINC001452629798 1067238744 /nfs/dbraw/zinc/23/87/44/1067238744.db2.gz AWICZHYEOYVYMD-UHFFFAOYSA-N 0 0 450.340 4.704 20 0 JJADRN O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC(O)(c2cccc3ccccc32)C1 ZINC001452635693 1067238851 /nfs/dbraw/zinc/23/88/51/1067238851.db2.gz BMEQHVMMYQVCER-UHFFFAOYSA-N 0 0 450.254 4.965 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)c2cc(Br)c(Br)[nH]2)n[nH]1 ZINC001452633684 1067238868 /nfs/dbraw/zinc/23/88/68/1067238868.db2.gz NYBGJBHAHIEKEP-UHFFFAOYSA-N 0 0 452.150 4.609 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1 ZINC001459050247 1067239250 /nfs/dbraw/zinc/23/92/50/1067239250.db2.gz KSRRPMDAQHTRQF-UHFFFAOYSA-N 0 0 452.576 4.571 20 0 JJADRN O=C(Cc1ccccc1I)O[C@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459050740 1067239349 /nfs/dbraw/zinc/23/93/49/1067239349.db2.gz MFUUNTVRXTYLED-OAHLLOKOSA-N 0 0 452.185 4.690 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)cc1 ZINC001459050326 1067239373 /nfs/dbraw/zinc/23/93/73/1067239373.db2.gz WYAFWCKBXBKWGK-GOSISDBHSA-N 0 0 456.608 4.586 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001546041400 1067239386 /nfs/dbraw/zinc/23/93/86/1067239386.db2.gz ATCGONNNLCHXEA-GHTZIAJQSA-N 0 0 467.441 4.737 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459052764 1067240027 /nfs/dbraw/zinc/24/00/27/1067240027.db2.gz PYDWTRDTXQKDGL-UHFFFAOYSA-N 0 0 459.464 4.909 20 0 JJADRN COC(=O)c1sc2cccc(F)c2c1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC001459052611 1067240103 /nfs/dbraw/zinc/24/01/03/1067240103.db2.gz KJVZBPALOGISMW-UHFFFAOYSA-N 0 0 454.248 4.685 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCCC2=O)C1 ZINC001546106089 1067240486 /nfs/dbraw/zinc/24/04/86/1067240486.db2.gz IPXQEBMPFBNFDB-UHFFFAOYSA-N 0 0 459.038 4.803 20 0 JJADRN COc1cc(CN(C)C(=O)CS[C@@H](C)C(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001459054730 1067240539 /nfs/dbraw/zinc/24/05/39/1067240539.db2.gz JIBNQHNBFKURNX-SFHVURJKSA-N 0 0 459.608 4.696 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001459058036 1067240963 /nfs/dbraw/zinc/24/09/63/1067240963.db2.gz IUPXBDZOXPXLJG-SANMLTNESA-N 0 0 458.599 4.707 20 0 JJADRN CC(C)c1cc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)n(Cc2ccccc2)n1 ZINC001452651204 1067240922 /nfs/dbraw/zinc/24/09/22/1067240922.db2.gz XWULQPUSIQVXFB-UHFFFAOYSA-N 0 0 455.518 4.660 20 0 JJADRN CCOC(=O)C[C@@H](S[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC ZINC001459058806 1067241340 /nfs/dbraw/zinc/24/13/40/1067241340.db2.gz RXFFVUWLRPJJNX-NOZJJQNGSA-N 0 0 456.775 4.592 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC001459058410 1067241382 /nfs/dbraw/zinc/24/13/82/1067241382.db2.gz KTHPNRZFRLINJD-JOCHJYFZSA-N 0 0 454.567 4.511 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C ZINC001459059733 1067241961 /nfs/dbraw/zinc/24/19/61/1067241961.db2.gz PLHFHPGPCHQABU-UHFFFAOYSA-N 0 0 452.530 4.586 20 0 JJADRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2c(=O)onc2-c2ccc(F)c(Cl)c2)cc1 ZINC001459063883 1067242479 /nfs/dbraw/zinc/24/24/79/1067242479.db2.gz LMVLTFBKEKPWRG-FQEVSTJZSA-N 0 0 457.933 4.957 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3CC3CCCC3)ccc2Cl)C1 ZINC001452663542 1067242475 /nfs/dbraw/zinc/24/24/75/1067242475.db2.gz GKOXEGZBPILPGA-PXNSSMCTSA-N 0 0 453.048 4.946 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001452665835 1067242487 /nfs/dbraw/zinc/24/24/87/1067242487.db2.gz RMPSHLMKOZBONW-OXQOHEQNSA-N 0 0 455.380 4.810 20 0 JJADRN COc1ccc(-c2nc(SCc3cncc(Br)c3)n[nH]2)cc1Br ZINC001459066627 1067242837 /nfs/dbraw/zinc/24/28/37/1067242837.db2.gz BWZNHQQALPERQG-UHFFFAOYSA-N 0 0 456.163 4.693 20 0 JJADRN Cc1ccc(COC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1Br ZINC001459066331 1067242905 /nfs/dbraw/zinc/24/29/05/1067242905.db2.gz JLHLCLOWZSPYKS-UHFFFAOYSA-N 0 0 451.382 4.978 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452680948 1067243010 /nfs/dbraw/zinc/24/30/10/1067243010.db2.gz KJEYAVAZZZGZOC-DXVXXHEXSA-N 0 0 456.627 4.806 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001452685265 1067243320 /nfs/dbraw/zinc/24/33/20/1067243320.db2.gz QXDLCXPQTBNCHH-VRXWPRPYSA-N 0 0 451.007 4.897 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)c2ccccc21 ZINC001459068030 1067243375 /nfs/dbraw/zinc/24/33/75/1067243375.db2.gz HZEKAJBOUMKSSV-KRWDZBQOSA-N 0 0 450.413 4.581 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001452690805 1067244275 /nfs/dbraw/zinc/24/42/75/1067244275.db2.gz ZMOICSJYLUCWKF-HSALFYBXSA-N 0 0 452.542 4.865 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccccc1 ZINC001459070892 1067244319 /nfs/dbraw/zinc/24/43/19/1067244319.db2.gz DKGPJLDYHYAJOA-HSZRJFAPSA-N 0 0 458.396 4.898 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1 ZINC001459071619 1067244384 /nfs/dbraw/zinc/24/43/84/1067244384.db2.gz FXRLCOJCCMKOCL-HSZRJFAPSA-N 0 0 450.501 4.802 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001452690806 1067244539 /nfs/dbraw/zinc/24/45/39/1067244539.db2.gz ZMOICSJYLUCWKF-VAMGGRTRSA-N 0 0 452.542 4.865 20 0 JJADRN CC(=O)N1CCN(Cc2cccc(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001459072133 1067244787 /nfs/dbraw/zinc/24/47/87/1067244787.db2.gz TVCZNANLKWPBTO-UHFFFAOYSA-N 0 0 455.602 4.934 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(C)c(I)c1 ZINC001459072629 1067244867 /nfs/dbraw/zinc/24/48/67/1067244867.db2.gz KSQGLVQFAWZNSO-LBPRGKRZSA-N 0 0 459.711 4.919 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001452692729 1067244940 /nfs/dbraw/zinc/24/49/40/1067244940.db2.gz STCVLQGGAYRZOI-QHCPKHFHSA-N 0 0 455.595 4.918 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)c1 ZINC001452693590 1067245110 /nfs/dbraw/zinc/24/51/10/1067245110.db2.gz FWAMJAOLECYSCY-UHFFFAOYSA-N 0 0 451.271 4.724 20 0 JJADRN COc1ccc(-c2nc(SCC(=O)NC3CCCCCCC3)n[nH]2)cc1Br ZINC001459074268 1067245390 /nfs/dbraw/zinc/24/53/90/1067245390.db2.gz OUXHBDXJVMZWJM-UHFFFAOYSA-N 0 0 453.406 4.564 20 0 JJADRN CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452695107 1067245413 /nfs/dbraw/zinc/24/54/13/1067245413.db2.gz OYBFBKRYSIJYGZ-MRXNPFEDSA-N 0 0 454.246 4.774 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Nc3ccccc3)C2)s1 ZINC001546042498 1067245620 /nfs/dbraw/zinc/24/56/20/1067245620.db2.gz MAUVWXADFQCGDU-SFHVURJKSA-N 0 0 455.605 4.840 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3C[C@@H](N4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714142 1067245919 /nfs/dbraw/zinc/24/59/19/1067245919.db2.gz NDRRCOXCZXTWIX-LOSJGSFVSA-N 0 0 450.623 4.792 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC001452714115 1067246024 /nfs/dbraw/zinc/24/60/24/1067246024.db2.gz MXLFDRFAMUCPFD-RTWAWAEBSA-N 0 0 450.476 4.741 20 0 JJADRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(OC)c(Br)c2)n1 ZINC001459076964 1067246268 /nfs/dbraw/zinc/24/62/68/1067246268.db2.gz SQYSOBNOEJQMMF-TZMCWYRMSA-N 0 0 453.406 4.515 20 0 JJADRN CCOC(=O)c1csc(CCNC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)n1 ZINC001459076961 1067246304 /nfs/dbraw/zinc/24/63/04/1067246304.db2.gz DYKRJFYXSYXADV-UHFFFAOYSA-N 0 0 456.376 4.723 20 0 JJADRN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(-c2ccc(OC)c(Br)c2)n1 ZINC001459076951 1067246521 /nfs/dbraw/zinc/24/65/21/1067246521.db2.gz SQYSOBNOEJQMMF-JSGCOSHPSA-N 0 0 453.406 4.515 20 0 JJADRN C[C@H]1C[C@@H](CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC(C)(C)C1 ZINC001459078560 1067246875 /nfs/dbraw/zinc/24/68/75/1067246875.db2.gz ZCLBVSLOFKSAEO-IRXDYDNUSA-N 0 0 455.426 4.896 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2c1C ZINC001452733567 1067247107 /nfs/dbraw/zinc/24/71/07/1067247107.db2.gz DYRXFZHJFKMORM-UHFFFAOYSA-N 0 0 459.641 4.743 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CCC(Cc4nc(C(C)C)n[nH]4)CC3)cs2)cc1 ZINC001452734147 1067247150 /nfs/dbraw/zinc/24/71/50/1067247150.db2.gz GPICGRYESGYSAQ-UHFFFAOYSA-N 0 0 453.612 4.935 20 0 JJADRN CCOC(=O)c1sc(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nc1C ZINC001459078638 1067247488 /nfs/dbraw/zinc/24/74/88/1067247488.db2.gz DLRXMGNRUIJBOE-OAHLLOKOSA-N 0 0 458.605 4.929 20 0 JJADRN Cn1cc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c(-c2ccc(Cl)s2)n1 ZINC001452739347 1067247571 /nfs/dbraw/zinc/24/75/71/1067247571.db2.gz WTSCUNPKPVJQMM-UHFFFAOYSA-N 0 0 453.008 4.569 20 0 JJADRN CC(C)(C)OC(=O)NCCC1CCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC001452736097 1067247687 /nfs/dbraw/zinc/24/76/87/1067247687.db2.gz PFGIDGQRMJWIGI-UHFFFAOYSA-N 0 0 459.812 4.798 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC001459082195 1067247899 /nfs/dbraw/zinc/24/78/99/1067247899.db2.gz XGKZPBILFSBDBU-UHFFFAOYSA-N 0 0 452.523 4.624 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Oc1ccc(-c2ncn(C)n2)cc1 ZINC001459081687 1067247905 /nfs/dbraw/zinc/24/79/05/1067247905.db2.gz ZGUDVNTWFIDLOA-UHFFFAOYSA-N 0 0 456.333 4.740 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001459085625 1067248336 /nfs/dbraw/zinc/24/83/36/1067248336.db2.gz VTIDTHDDRKYHMY-NDDJGDGRSA-N 0 0 459.386 4.985 20 0 JJADRN CCOC(=O)c1sc(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nc1C ZINC001459084988 1067248377 /nfs/dbraw/zinc/24/83/77/1067248377.db2.gz KJSQOWXUUUGNLJ-HXUWFJFHSA-N 0 0 452.601 4.895 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cnc(Cl)cn1 ZINC001459087880 1067248789 /nfs/dbraw/zinc/24/87/89/1067248789.db2.gz PKRLMSGKHPLOHZ-UYAOXDASSA-N 0 0 458.990 4.508 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccccc1OCc1ccccc1 ZINC001452761213 1067249065 /nfs/dbraw/zinc/24/90/65/1067249065.db2.gz XARWYIPPYSMFIY-AWEZNQCLSA-N 0 0 459.365 4.847 20 0 JJADRN COc1ccc(CCNC(=O)[C@@H](C)Sc2ccc(Br)c(Cl)c2)cc1OC ZINC001459089495 1067249275 /nfs/dbraw/zinc/24/92/75/1067249275.db2.gz DNIXKPRVIMEWGO-GFCCVEGCSA-N 0 0 458.805 4.959 20 0 JJADRN O=C(CSc1ccc(Br)c(Cl)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC001459097017 1067249705 /nfs/dbraw/zinc/24/97/05/1067249705.db2.gz WFSMEJHSSNQYKF-UHFFFAOYSA-N 0 0 455.805 4.666 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001452766679 1067250110 /nfs/dbraw/zinc/25/01/10/1067250110.db2.gz RWPZGAYPDLUZEQ-WHJRKYDLSA-N 0 0 456.652 4.964 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)s1 ZINC001452768153 1067250227 /nfs/dbraw/zinc/25/02/27/1067250227.db2.gz HQSGSVSZYOAVRK-JBACZVJFSA-N 0 0 454.636 4.879 20 0 JJADRN CCOC(=O)c1csc(COc2c(I)cccc2C(F)(F)F)n1 ZINC001459102170 1067250580 /nfs/dbraw/zinc/25/05/80/1067250580.db2.gz BAEKQGMBGTZQRS-UHFFFAOYSA-N 0 0 457.211 4.522 20 0 JJADRN Cc1cc(C(=O)Cn2oc3cc(Br)ccc3c2=O)c(C)n1CCc1ccccc1 ZINC001459101238 1067250679 /nfs/dbraw/zinc/25/06/79/1067250679.db2.gz AZWWEVUHKUGHJK-UHFFFAOYSA-N 0 0 453.336 4.901 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)c1C ZINC001452772995 1067250795 /nfs/dbraw/zinc/25/07/95/1067250795.db2.gz XAJNTZPKOPLWNX-MRXNPFEDSA-N 0 0 454.596 4.866 20 0 JJADRN COC(=O)c1coc(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001452775653 1067250892 /nfs/dbraw/zinc/25/08/92/1067250892.db2.gz JNBJPFGZPKBHNM-GOSISDBHSA-N 0 0 451.331 4.918 20 0 JJADRN O=C(COc1c(I)cccc1C(F)(F)F)Nc1ccccc1Cl ZINC001459106109 1067251636 /nfs/dbraw/zinc/25/16/36/1067251636.db2.gz VDEAFWHDIZSSNP-UHFFFAOYSA-N 0 0 455.601 4.981 20 0 JJADRN COc1ccc(CCC(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001452790997 1067251929 /nfs/dbraw/zinc/25/19/29/1067251929.db2.gz OGCBVJGPBGKHIC-NRFANRHFSA-N 0 0 452.776 4.554 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCc1cc(OC)ccn1 ZINC001546044237 1067251970 /nfs/dbraw/zinc/25/19/70/1067251970.db2.gz VQWCDQHKIFKMBF-UHFFFAOYSA-N 0 0 452.502 4.667 20 0 JJADRN C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC001459107558 1067252180 /nfs/dbraw/zinc/25/21/80/1067252180.db2.gz IYIQUMXMSHXZJE-SNVBAGLBSA-N 0 0 456.269 4.543 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)c2nc1C ZINC001459108933 1067252605 /nfs/dbraw/zinc/25/26/05/1067252605.db2.gz FPLHEMLMSMNBBQ-HSZRJFAPSA-N 0 0 457.505 4.643 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001452796463 1067252678 /nfs/dbraw/zinc/25/26/78/1067252678.db2.gz CFJOLVQFXNKYJR-QFBILLFUSA-N 0 0 479.593 4.550 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)O1 ZINC001546044511 1067253188 /nfs/dbraw/zinc/25/31/88/1067253188.db2.gz CBXDELGJMAHUDK-TVZXLZGTSA-N 0 0 466.630 4.716 20 0 JJADRN Cc1ccc(CC(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001452798102 1067253271 /nfs/dbraw/zinc/25/32/71/1067253271.db2.gz OLUHPTZIUJRHFS-SFHVURJKSA-N 0 0 459.384 4.783 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)O[C@H]2CCOc3c(C)cccc32)nnc1-c1ccccc1 ZINC001459116609 1067253937 /nfs/dbraw/zinc/25/39/37/1067253937.db2.gz HDBKTNBBVWDFBW-XLIONFOSSA-N 0 0 453.564 4.620 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCCO[C@@H](C)C2)O1 ZINC001546044600 1067254069 /nfs/dbraw/zinc/25/40/69/1067254069.db2.gz CZDPLSOMOOEFLY-XWFZLUIHSA-N 0 0 463.420 4.671 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001459116287 1067254037 /nfs/dbraw/zinc/25/40/37/1067254037.db2.gz BMWYKIOHUUUVLV-UHFFFAOYSA-N 0 0 456.134 4.710 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1csc(Br)c1C)c1ccc(Cl)c(Cl)c1 ZINC001459117778 1067254085 /nfs/dbraw/zinc/25/40/85/1067254085.db2.gz DAKKFPOZTJLYBU-INIZCTEOSA-N 0 0 451.169 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC001452804221 1067254216 /nfs/dbraw/zinc/25/42/16/1067254216.db2.gz MBABCPDWSHQMCW-KRWDZBQOSA-N 0 0 450.457 4.567 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001459118313 1067254546 /nfs/dbraw/zinc/25/45/46/1067254546.db2.gz GKWSPXRZWBRWKF-UHFFFAOYSA-N 0 0 457.118 4.677 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(Cl)c(Cl)c1 ZINC001459120004 1067254938 /nfs/dbraw/zinc/25/49/38/1067254938.db2.gz HLRGSNPWPWKBTO-ASSNKEHSSA-N 0 0 455.769 4.678 20 0 JJADRN CN(Cc1ccccc1CNC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC001452817968 1067255126 /nfs/dbraw/zinc/25/51/26/1067255126.db2.gz VGRYBVAOLLLHQX-UHFFFAOYSA-N 0 0 450.938 4.931 20 0 JJADRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(I)cc1 ZINC001459120245 1067255715 /nfs/dbraw/zinc/25/57/15/1067255715.db2.gz UDJKATQAORHQRW-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001459123841 1067256094 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450.579 4.579 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1nc(Br)ccc1F ZINC001459127493 1067256957 /nfs/dbraw/zinc/25/69/57/1067256957.db2.gz SMESYJMCCLFMPJ-CQSZACIVSA-N 0 0 456.153 4.887 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 ZINC001459127421 1067256997 /nfs/dbraw/zinc/25/69/97/1067256997.db2.gz XUEWEISNLWVVKA-BQYQJAHWSA-N 0 0 453.276 4.800 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCCC[C@H]3CC(=O)OC(C)(C)C)cc21 ZINC001452841111 1067257112 /nfs/dbraw/zinc/25/71/12/1067257112.db2.gz KAPNNWWZRGDJLO-ZDUSSCGKSA-N 0 0 451.361 4.666 20 0 JJADRN O=C(CSc1ccc(F)c(F)c1)NCc1cc(Br)ccc1Br ZINC001459130006 1067257887 /nfs/dbraw/zinc/25/78/87/1067257887.db2.gz VXVMJYWFIWLQLN-UHFFFAOYSA-N 0 0 451.130 4.898 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCSc2cccc(Cl)c2)CC1 ZINC001452864807 1067258000 /nfs/dbraw/zinc/25/80/00/1067258000.db2.gz TVACJEMNALRZSJ-UHFFFAOYSA-N 0 0 457.036 4.697 20 0 JJADRN C[C@]1(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC(c2ccccc2Cl)=NO1 ZINC001452868636 1067258482 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Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001459143404 1067259527 /nfs/dbraw/zinc/25/95/27/1067259527.db2.gz GRGHKBCUHPSODZ-DEOSSOPVSA-N 0 0 450.485 4.987 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(OC)c(Cl)c1 ZINC001459142334 1067259539 /nfs/dbraw/zinc/25/95/39/1067259539.db2.gz TVCQOVYWSRYRLK-HNNXBMFYSA-N 0 0 452.212 4.545 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(F)cc(Br)c1 ZINC001459144893 1067259939 /nfs/dbraw/zinc/25/99/39/1067259939.db2.gz BATHZGPZWZITOQ-DYVFJYSZSA-N 0 0 453.739 4.862 20 0 JJADRN COc1cccc2ncn(Cc3cc(Br)c(Cl)c(Br)c3)c(=O)c21 ZINC001459144193 1067260030 /nfs/dbraw/zinc/26/00/30/1067260030.db2.gz MGQKPMKORWVLOK-UHFFFAOYSA-N 0 0 458.537 4.632 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001459145441 1067260044 /nfs/dbraw/zinc/26/00/44/1067260044.db2.gz AVWOXSHRZDFOIA-MRXNPFEDSA-N 0 0 458.580 4.927 20 0 JJADRN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001459145436 1067260052 /nfs/dbraw/zinc/26/00/52/1067260052.db2.gz AVWOXSHRZDFOIA-INIZCTEOSA-N 0 0 458.580 4.927 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC001459145709 1067260450 /nfs/dbraw/zinc/26/04/50/1067260450.db2.gz CFYBJLHAZZYKHP-CQSZACIVSA-N 0 0 458.527 4.672 20 0 JJADRN Brc1ccc(-c2nnc(Cn3cc(-c4ccc(Br)cc4)cn3)o2)o1 ZINC001459146563 1067260582 /nfs/dbraw/zinc/26/05/82/1067260582.db2.gz RIMHILQOBXBXKL-UHFFFAOYSA-N 0 0 450.090 4.766 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC001459146311 1067260633 /nfs/dbraw/zinc/26/06/33/1067260633.db2.gz FHUIWZVUTOMZAO-JKSUJKDBSA-N 0 0 454.514 4.568 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452896814 1067260661 /nfs/dbraw/zinc/26/06/61/1067260661.db2.gz LPSYQMGJXIDDSI-REWPJTCUSA-N 0 0 452.595 4.897 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC001452895954 1067260673 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4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)C1 ZINC001452907519 1067263130 /nfs/dbraw/zinc/26/31/30/1067263130.db2.gz UMLBNECGVWJDMA-TYPHKJRUSA-N 0 0 451.007 4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC001459156097 1067263034 /nfs/dbraw/zinc/26/30/34/1067263034.db2.gz TWGSOIQGCRXPDP-LJQANCHMSA-N 0 0 459.587 4.504 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C1 ZINC001459156116 1067263184 /nfs/dbraw/zinc/26/31/84/1067263184.db2.gz UDNXPQBTMVEUIP-LJQANCHMSA-N 0 0 456.562 4.545 20 0 JJADRN O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(Cl)c1F ZINC001459154286 1067263229 /nfs/dbraw/zinc/26/32/29/1067263229.db2.gz XBYJXTGNQOELGR-UHFFFAOYSA-N 0 0 456.832 4.546 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@]3(C)CCCc4ccccc43)C2)C1 ZINC001452908517 1067263417 /nfs/dbraw/zinc/26/34/17/1067263417.db2.gz YICRUFUFGUMLKU-MQHKMBAJSA-N 0 0 456.627 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)CC[C@H]1C1CC1 ZINC001452908754 1067263442 /nfs/dbraw/zinc/26/34/42/1067263442.db2.gz ZQOPJNMXYDNWPT-FHWLQOOXSA-N 0 0 452.954 4.557 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2=O)ccc1Br ZINC001459157456 1067263618 /nfs/dbraw/zinc/26/36/18/1067263618.db2.gz ICIAEFAHPUNYBY-ZCNNSNEGSA-N 0 0 455.396 4.638 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](OC)C(C)(C)C2)O1 ZINC001546046031 1067264128 /nfs/dbraw/zinc/26/41/28/1067264128.db2.gz VZSJDVZYFVTEAP-XXNSQIBZSA-N 0 0 460.594 4.766 20 0 JJADRN CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc(Cl)c1F ZINC001459162262 1067263993 /nfs/dbraw/zinc/26/39/93/1067263993.db2.gz LDYJGEXTPQDMOD-GOSISDBHSA-N 0 0 457.926 4.713 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2C(=O)OC(C)(C)C)C1 ZINC001459163544 1067264606 /nfs/dbraw/zinc/26/46/06/1067264606.db2.gz MYEDBECEPNRGMY-KBXCAEBGSA-N 0 0 455.576 4.939 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)Cc1ccccc1 ZINC001459163729 1067264622 /nfs/dbraw/zinc/26/46/22/1067264622.db2.gz SIYDDBQRPSTLTC-PQNGQFLHSA-N 0 0 456.652 4.598 20 0 JJADRN CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)Cc1ccccc1 ZINC001459163726 1067264629 /nfs/dbraw/zinc/26/46/29/1067264629.db2.gz SIYDDBQRPSTLTC-LGVFNWMJSA-N 0 0 456.652 4.598 20 0 JJADRN CC1(C)CC(=O)c2cnc(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)nc2C1 ZINC001459171942 1067265597 /nfs/dbraw/zinc/26/55/97/1067265597.db2.gz MVVFNIUNHZIGFO-NRFANRHFSA-N 0 0 455.580 4.830 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)C(=O)c3cnn(C(C)(C)C)c3)c2C(=O)OC(C)(C)C)C1 ZINC001459168731 1067265632 /nfs/dbraw/zinc/26/56/32/1067265632.db2.gz YHRTYFYGPWISSJ-AWEZNQCLSA-N 0 0 459.612 4.991 20 0 JJADRN COc1c(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)oc2ccccc21 ZINC001459176821 1067265972 /nfs/dbraw/zinc/26/59/72/1067265972.db2.gz FVIMKFZYVXVWDK-TZIWHRDSSA-N 0 0 464.562 4.783 20 0 JJADRN CC(C)[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[nH]1)C(=O)NC1CCCCCC1 ZINC001459178061 1067265993 /nfs/dbraw/zinc/26/59/93/1067265993.db2.gz BLEIGJPRQLBTIL-FQEVSTJZSA-N 0 0 453.612 4.536 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CSC(=S)N1CCC(C)CC1 ZINC001459180023 1067267051 /nfs/dbraw/zinc/26/70/51/1067267051.db2.gz XIYFKPCLBGYNDS-QGZVFWFLSA-N 0 0 457.503 4.979 20 0 JJADRN CN(C(=O)c1cc(Br)c2nccnc2c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001452951934 1067267013 /nfs/dbraw/zinc/26/70/13/1067267013.db2.gz AXXJPUWLAQJQEW-OAHLLOKOSA-N 0 0 455.139 4.505 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452954800 1067267256 /nfs/dbraw/zinc/26/72/56/1067267256.db2.gz LKRDQTHYDNXVNA-UHFFFAOYSA-N 0 0 451.350 4.680 20 0 JJADRN CC(C)(C)OCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001452956323 1067267469 /nfs/dbraw/zinc/26/74/69/1067267469.db2.gz CAGRBMIFYNYSQZ-UHFFFAOYSA-N 0 0 459.395 4.729 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001452960743 1067268212 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JJADRN COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)ccc1OCc1ccccc1Cl ZINC001546046704 1067270164 /nfs/dbraw/zinc/27/01/64/1067270164.db2.gz IZDOMCOIBUEWDD-TZIWHRDSSA-N 0 0 457.954 4.528 20 0 JJADRN COCC1(C2CCC2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001452985456 1067270448 /nfs/dbraw/zinc/27/04/48/1067270448.db2.gz UUDTYVVCZHEDFW-SFHVURJKSA-N 0 0 456.505 4.546 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)co1 ZINC001452992423 1067271235 /nfs/dbraw/zinc/27/12/35/1067271235.db2.gz CFZIRSDKEVVNBY-UHFFFAOYSA-N 0 0 454.354 4.574 20 0 JJADRN Clc1cnc(I)c(OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC001459209589 1067271480 /nfs/dbraw/zinc/27/14/80/1067271480.db2.gz ZFEJWLWTPLQMPN-UHFFFAOYSA-N 0 0 452.075 4.733 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)c(C)cc2C)nnn1-c1ccc(OC(F)F)cc1 ZINC001459209363 1067271541 /nfs/dbraw/zinc/27/15/41/1067271541.db2.gz YMQKJYDGJIURIC-UHFFFAOYSA-N 0 0 451.271 4.809 20 0 JJADRN COCCn1c(C)cc(C(=O)COc2cccc(OC(F)(F)F)c2Br)c1C ZINC001459207841 1067271595 /nfs/dbraw/zinc/27/15/95/1067271595.db2.gz GDQVTLWQALWKLW-UHFFFAOYSA-N 0 0 450.251 4.674 20 0 JJADRN Cc1ccc2c(c1)NC(=O)N(CC(=O)c1ccc(Oc3ccc(Cl)cc3)cc1)S2(=O)=O ZINC001459211033 1067271998 /nfs/dbraw/zinc/27/19/98/1067271998.db2.gz UFWMWQNOORPNJV-UHFFFAOYSA-N 0 0 456.907 4.860 20 0 JJADRN Cn1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c(-c2cc(F)ccc2F)n1 ZINC001452995267 1067272070 /nfs/dbraw/zinc/27/20/70/1067272070.db2.gz PECPKFOAVZXHKY-UHFFFAOYSA-N 0 0 451.304 4.635 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)c(Br)cc2C)cnn1CCO[C@H]1CCCCO1 ZINC001452996287 1067272094 /nfs/dbraw/zinc/27/20/94/1067272094.db2.gz GEXGLBKRZWBIOU-SFHVURJKSA-N 0 0 456.768 4.711 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 ZINC001459221862 1067272906 /nfs/dbraw/zinc/27/29/06/1067272906.db2.gz DEOLZFMRRXZDPU-FQEVSTJZSA-N 0 0 453.336 4.719 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001452998655 1067273188 /nfs/dbraw/zinc/27/31/88/1067273188.db2.gz KKYBELZKGGUXND-WXFDERKXSA-N 0 0 468.425 4.701 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1F ZINC001452998844 1067273220 /nfs/dbraw/zinc/27/32/20/1067273220.db2.gz PUCUAXTWKQSJBN-QAPCUYQASA-N 0 0 451.325 4.858 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(I)cc1F ZINC001452998641 1067273264 /nfs/dbraw/zinc/27/32/64/1067273264.db2.gz UUPLEPXVGSSJRP-UHFFFAOYSA-N 0 0 458.580 4.679 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001452998355 1067273285 /nfs/dbraw/zinc/27/32/85/1067273285.db2.gz MSKSGYNGMVUTGI-MRXNPFEDSA-N 0 0 456.917 4.849 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001459228606 1067273774 /nfs/dbraw/zinc/27/37/74/1067273774.db2.gz IXAQGHDESYCFNU-HIFRSBDPSA-N 0 0 455.502 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](Cn3nc(-c4ccc(Cl)cc4)nc3Cl)C2)C1 ZINC001459228529 1067273890 /nfs/dbraw/zinc/27/38/90/1067273890.db2.gz MLFMAGKSMRMASD-IIBYNOLFSA-N 0 0 453.370 4.668 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCOCC(F)F)C1 ZINC001546107392 1067274253 /nfs/dbraw/zinc/27/42/53/1067274253.db2.gz KZDYGCUYOUKZDP-UHFFFAOYSA-N 0 0 488.583 4.534 20 0 JJADRN O=C(CCc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001459231440 1067274628 /nfs/dbraw/zinc/27/46/28/1067274628.db2.gz VZIKYYOYJXPEMF-QFIPXVFZSA-N 0 0 451.364 4.812 20 0 JJADRN Cc1ccncc1CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC001453041057 1067275498 /nfs/dbraw/zinc/27/54/98/1067275498.db2.gz XSOHHZWERLFQGQ-SANMLTNESA-N 0 0 457.574 4.612 20 0 JJADRN COc1ccccc1[C@H](C)N(OC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC001453052230 1067275549 /nfs/dbraw/zinc/27/55/49/1067275549.db2.gz NNTWOMDNMCAAJL-CABCVRRESA-N 0 0 455.580 4.614 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cc3c(ccc(F)c3Br)[nH]1)CCC2 ZINC001453059528 1067276228 /nfs/dbraw/zinc/27/62/28/1067276228.db2.gz OHXLJYQLFHKMOD-AWEZNQCLSA-N 0 0 459.315 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC001453073201 1067277105 /nfs/dbraw/zinc/27/71/05/1067277105.db2.gz HQJWZGFSYRENQF-YADARESESA-N 0 0 451.007 4.585 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CCCC1 ZINC001453074941 1067277264 /nfs/dbraw/zinc/27/72/64/1067277264.db2.gz OSIGEOQRDALGRX-LAUBAEHRSA-N 0 0 451.405 4.680 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001546107471 1067277200 /nfs/dbraw/zinc/27/72/00/1067277200.db2.gz NGPGODLAFAWDRL-UHFFFAOYSA-N 0 0 466.630 4.690 20 0 JJADRN COc1cc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc2c1OCCO2 ZINC001459246280 1067277252 /nfs/dbraw/zinc/27/72/52/1067277252.db2.gz UIXZNMPCWQBSPO-KRWDZBQOSA-N 0 0 450.304 4.639 20 0 JJADRN COC(=O)c1nc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)ccc1Cl ZINC001453076070 1067277667 /nfs/dbraw/zinc/27/76/67/1067277667.db2.gz LFFMULQSBIAKLN-UHFFFAOYSA-N 0 0 453.907 4.835 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)O1 ZINC001546047634 1067278262 /nfs/dbraw/zinc/27/82/62/1067278262.db2.gz BDZMNOSSPZTBKN-UUOWRZLLSA-N 0 0 473.980 4.996 20 0 JJADRN CSCCCCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001459255393 1067278184 /nfs/dbraw/zinc/27/81/84/1067278184.db2.gz LTIJZCQVJXZMGK-UHFFFAOYSA-N 0 0 456.868 4.838 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)nc1 ZINC001459257184 1067278316 /nfs/dbraw/zinc/27/83/16/1067278316.db2.gz UTHLXKBRSGPXCY-UHFFFAOYSA-N 0 0 454.527 4.979 20 0 JJADRN Cc1cc(C(=O)OCc2ccc(OCC(F)(F)F)nc2)c2ccc(Br)cc2n1 ZINC001459260336 1067278632 /nfs/dbraw/zinc/27/86/32/1067278632.db2.gz DSZWSLVUSFCRSM-UHFFFAOYSA-N 0 0 455.230 4.999 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546047674 1067278735 /nfs/dbraw/zinc/27/87/35/1067278735.db2.gz BQQKLXDXPVKAJV-VWFBZHOWSA-N 0 0 460.644 4.640 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](COC)C2)O1 ZINC001546047681 1067278814 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CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC001459278011 1067281377 /nfs/dbraw/zinc/28/13/77/1067281377.db2.gz HGEQPKGLHBWSBA-JKSUJKDBSA-N 0 0 450.992 4.804 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001459278525 1067281449 /nfs/dbraw/zinc/28/14/49/1067281449.db2.gz QFTDRSTXICXGCV-PZJWPPBQSA-N 0 0 450.645 4.595 20 0 JJADRN CC1(C)[C@@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C[C@@H]1OCc1ccccc1 ZINC001459279087 1067281891 /nfs/dbraw/zinc/28/18/91/1067281891.db2.gz CIYIEIZGHPKJDX-GOTSBHOMSA-N 0 0 455.620 4.663 20 0 JJADRN O=C(c1cc(F)ccc1I)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC001459280808 1067281988 /nfs/dbraw/zinc/28/19/88/1067281988.db2.gz ZRIUFRYHVPWPON-UHFFFAOYSA-N 0 0 456.686 4.713 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)cc1-n1cccc1 ZINC001453133904 1067282443 /nfs/dbraw/zinc/28/24/43/1067282443.db2.gz UIKWBLHUBRTJLH-SFTDATJTSA-N 0 0 473.470 4.602 20 0 JJADRN 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CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546048533 1067289159 /nfs/dbraw/zinc/28/91/59/1067289159.db2.gz NLHWCXYXFGMFRU-WVMBUTMQSA-N 0 0 463.022 4.818 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)c1cccc([C@H]2CCOC2)c1 ZINC001459306183 1067289161 /nfs/dbraw/zinc/28/91/61/1067289161.db2.gz UGBOSXMVHLHOKZ-ZDUSSCGKSA-N 0 0 450.301 4.657 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](OC)C2)O1 ZINC001546048571 1067289321 /nfs/dbraw/zinc/28/93/21/1067289321.db2.gz NUALAVNORFITMT-FGSXEWAUSA-N 0 0 463.420 4.589 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@H](C)CC(N)=O)O1 ZINC001546048631 1067289647 /nfs/dbraw/zinc/28/96/47/1067289647.db2.gz OLPBNJMTVYXCIB-DNHRDODTSA-N 0 0 485.629 4.861 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1ccc(OC(F)F)cc1 ZINC001459307587 1067289673 /nfs/dbraw/zinc/28/96/73/1067289673.db2.gz DPNDJPAXFMWHTJ-DEOSSOPVSA-N 0 0 454.492 4.713 20 0 JJADRN 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Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC001453335550 1067298647 /nfs/dbraw/zinc/29/86/47/1067298647.db2.gz JINMULBZLMLKCL-NRFANRHFSA-N 0 0 452.599 4.680 20 0 JJADRN COCC1(NC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCCC1 ZINC001453339175 1067298966 /nfs/dbraw/zinc/29/89/66/1067298966.db2.gz UIQDIHXRHBXRFY-UHFFFAOYSA-N 0 0 458.624 4.782 20 0 JJADRN Cn1cc(-c2ccc(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)cn1 ZINC001453337605 1067299041 /nfs/dbraw/zinc/29/90/41/1067299041.db2.gz QYEJNBUFUQBZEL-JOCHJYFZSA-N 0 0 452.599 4.586 20 0 JJADRN CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346759 1067299338 /nfs/dbraw/zinc/29/93/38/1067299338.db2.gz HHJHEBQGGKDEMY-UNMCSNQZSA-N 0 0 453.385 4.850 20 0 JJADRN O=C(CCc1nc(-c2ccncc2)no1)NC1(c2ccc(Br)cc2)CCCCC1 ZINC001453341116 1067299332 /nfs/dbraw/zinc/29/93/32/1067299332.db2.gz ZFGWBJWJXSIFCS-UHFFFAOYSA-N 0 0 455.356 4.803 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cc(Cl)ccc1I ZINC001453343269 1067299547 /nfs/dbraw/zinc/29/95/47/1067299547.db2.gz FRRZOCLLSANBPE-NSHDSACASA-N 0 0 459.686 4.609 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](C)c2ccccn2)cc1NC(=O)c1ccc(Br)cc1 ZINC001453353916 1067300186 /nfs/dbraw/zinc/30/01/86/1067300186.db2.gz FBHLUGPHPQKLDO-INIZCTEOSA-N 0 0 452.352 4.938 20 0 JJADRN C[C@]12CCN(C(=O)Cc3c(Cl)cccc3Cl)C[C@H]1C2(Br)Br ZINC001453352265 1067300213 /nfs/dbraw/zinc/30/02/13/1067300213.db2.gz AWIKYWBLFGPPKI-OCCSQVGLSA-N 0 0 456.005 4.890 20 0 JJADRN O=C(Cc1nc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1)Nc1ccccc1 ZINC001459348406 1067300281 /nfs/dbraw/zinc/30/02/81/1067300281.db2.gz RDBSUVLKGHJPPT-STQMWFEESA-N 0 0 451.436 4.887 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001453356671 1067300573 /nfs/dbraw/zinc/30/05/73/1067300573.db2.gz NAVNKPQQJBQTSV-HIFRSBDPSA-N 0 0 480.038 4.655 20 0 JJADRN CC(C)c1ccccc1OCCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001453362377 1067300874 /nfs/dbraw/zinc/30/08/74/1067300874.db2.gz 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CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cnn(CC4CCCC4)c3)cc2)C1 ZINC001453397031 1067303998 /nfs/dbraw/zinc/30/39/98/1067303998.db2.gz ILSYKHACIRUTJS-JOCHJYFZSA-N 0 0 454.571 4.634 20 0 JJADRN Nc1c(Cl)c(F)cc(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1Cl ZINC001453397655 1067304118 /nfs/dbraw/zinc/30/41/18/1067304118.db2.gz HYUDEJNPYFOWIN-SFHVURJKSA-N 0 0 458.320 4.842 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC001459365871 1067304362 /nfs/dbraw/zinc/30/43/62/1067304362.db2.gz LZWJRUBQKMJEFV-HNNXBMFYSA-N 0 0 456.417 4.713 20 0 JJADRN COc1ccc(F)cc1-c1cncc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC001459365512 1067304490 /nfs/dbraw/zinc/30/44/90/1067304490.db2.gz XRBSLIHYFSNKAA-UHFFFAOYSA-N 0 0 454.615 4.968 20 0 JJADRN CC(C)N(CCS(=O)(=O)CC(=O)OC(C)(C)C)Cc1ccc(-c2cccc(F)c2)s1 ZINC001459369110 1067304802 /nfs/dbraw/zinc/30/48/02/1067304802.db2.gz XPCZVKJNVLYZIA-UHFFFAOYSA-N 0 0 455.617 4.521 20 0 JJADRN 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CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001459380754 1067308775 /nfs/dbraw/zinc/30/87/75/1067308775.db2.gz UQIOQMDVCUHQNV-LJQANCHMSA-N 0 0 455.393 4.554 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Nc3ccc(C)c(NC(=O)N(C)C)c3)ccc21 ZINC001459382871 1067309297 /nfs/dbraw/zinc/30/92/97/1067309297.db2.gz TVASQSGUOWTTLI-UHFFFAOYSA-N 0 0 457.534 4.747 20 0 JJADRN CCOC(=O)CN(C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)c1ccc(C)cc1 ZINC001459383757 1067309590 /nfs/dbraw/zinc/30/95/90/1067309590.db2.gz QMDBTULFJXWLRW-UHFFFAOYSA-N 0 0 458.440 4.757 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546051874 1067309988 /nfs/dbraw/zinc/30/99/88/1067309988.db2.gz PKGZBNJCYZOZJG-DMEDLEQBSA-N 0 0 461.651 4.633 20 0 JJADRN CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC001453500840 1067310166 /nfs/dbraw/zinc/31/01/66/1067310166.db2.gz FWMWUOWAPWYHHD-UHFFFAOYSA-N 0 0 450.539 4.699 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532492 1067311208 /nfs/dbraw/zinc/31/12/08/1067311208.db2.gz BWLATMSYBSGHPQ-GGAORHGYSA-N 0 0 456.608 4.526 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532494 1067311401 /nfs/dbraw/zinc/31/14/01/1067311401.db2.gz BWLATMSYBSGHPQ-GMAHTHKFSA-N 0 0 456.608 4.526 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCC([C@H]2CCCCO2)CC1 ZINC001453535266 1067311693 /nfs/dbraw/zinc/31/16/93/1067311693.db2.gz IQHYWHAUFWKZFG-MRXNPFEDSA-N 0 0 455.443 4.984 20 0 JJADRN COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Br)ccc2OC)cc1Cl ZINC001459393168 1067311853 /nfs/dbraw/zinc/31/18/53/1067311853.db2.gz BEQYDJXIJJJPNA-KRWDZBQOSA-N 0 0 453.764 4.895 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC(NC(C)=O)CC3)n2)cc1 ZINC001459394219 1067312135 /nfs/dbraw/zinc/31/21/35/1067312135.db2.gz QLPPKMZXSGUQBK-SFHVURJKSA-N 0 0 456.656 4.860 20 0 JJADRN CC(C)COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453542335 1067312396 /nfs/dbraw/zinc/31/23/96/1067312396.db2.gz KNSAYNSZKOENHQ-MJGOQNOKSA-N 0 0 458.521 4.887 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1OCC ZINC001453540852 1067312527 /nfs/dbraw/zinc/31/25/27/1067312527.db2.gz REHICZSJQXFQDJ-IBGZPJMESA-N 0 0 454.405 4.597 20 0 JJADRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC001459394928 1067312572 /nfs/dbraw/zinc/31/25/72/1067312572.db2.gz FNRAJLWBOAZJFQ-ZDUSSCGKSA-N 0 0 455.318 4.578 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C3)cc21 ZINC001453543690 1067312886 /nfs/dbraw/zinc/31/28/86/1067312886.db2.gz MPGPLVAZLPDQMT-UKRRQHHQSA-N 0 0 457.468 4.781 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CC[C@@H]1C(F)(F)F ZINC001453545202 1067312909 /nfs/dbraw/zinc/31/29/09/1067312909.db2.gz NVIMCONGVSQFON-YJBOKZPZSA-N 0 0 458.496 4.799 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC001459401866 1067313731 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/nfs/dbraw/zinc/31/48/98/1067314898.db2.gz RQVWGVSWRKJZNQ-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN O=C(CN1Cc2ccccc2-c2ccccc2C1)Nc1cccc(I)c1 ZINC001459406503 1067314913 /nfs/dbraw/zinc/31/49/13/1067314913.db2.gz QVFVFPJBYDMAPT-UHFFFAOYSA-N 0 0 454.311 4.913 20 0 JJADRN CN1c2ccccc2CN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)CC1=O ZINC001453576003 1067315445 /nfs/dbraw/zinc/31/54/45/1067315445.db2.gz KPPRUPFNVHFIRU-UHFFFAOYSA-N 0 0 457.958 4.885 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453580000 1067315571 /nfs/dbraw/zinc/31/55/71/1067315571.db2.gz FHWLWVIRWMTKBB-IEBWSBKVSA-N 0 0 457.619 4.572 20 0 JJADRN CCOC(=O)c1csc(CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC001459411622 1067316058 /nfs/dbraw/zinc/31/60/58/1067316058.db2.gz ACBRDOKKISJZKL-HSZRJFAPSA-N 0 0 456.011 4.880 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nccc3cc[nH]c32)c1 ZINC001453580922 1067316159 /nfs/dbraw/zinc/31/61/59/1067316159.db2.gz LTKORBZMOKQWBE-UHFFFAOYSA-N 0 0 454.939 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(COc3ccccc3F)on2)C1 ZINC001453583044 1067316468 /nfs/dbraw/zinc/31/64/68/1067316468.db2.gz WUVINVORADGOJX-SIKLNZKXSA-N 0 0 481.524 4.526 20 0 JJADRN Cc1cc(C(=O)NC2CCN(CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)c(C)o1 ZINC001459411764 1067316531 /nfs/dbraw/zinc/31/65/31/1067316531.db2.gz ATJQXEJISMSAML-HSZRJFAPSA-N 0 0 457.590 4.523 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@H](C)C1 ZINC001459412222 1067316558 /nfs/dbraw/zinc/31/65/58/1067316558.db2.gz JSGFXALLOJRYRW-QGZVFWFLSA-N 0 0 453.970 4.642 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 ZINC001453585535 1067316655 /nfs/dbraw/zinc/31/66/55/1067316655.db2.gz DMOGLZGGYMIYPO-RBUKOAKNSA-N 0 0 455.605 4.771 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC001453599617 1067316928 /nfs/dbraw/zinc/31/69/28/1067316928.db2.gz AYHBJNCFIPCDGL-DRGJWEBESA-N 0 0 458.462 4.827 20 0 JJADRN O=C(C(c1ccccc1)c1ccccc1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453599469 1067317087 /nfs/dbraw/zinc/31/70/87/1067317087.db2.gz DOGFQFBKMGLGFP-QFIPXVFZSA-N 0 0 458.524 4.858 20 0 JJADRN C[C@H]1CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001453602678 1067317830 /nfs/dbraw/zinc/31/78/30/1067317830.db2.gz XGGKWMVRNQIQLA-PXNSSMCTSA-N 0 0 455.574 4.856 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CCCCC2)O1 ZINC001546053375 1067317948 /nfs/dbraw/zinc/31/79/48/1067317948.db2.gz AAKWHBBFUJRRFG-ISJBWFOZSA-N 0 0 491.677 4.703 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)O1 ZINC001546053416 1067318129 /nfs/dbraw/zinc/31/81/29/1067318129.db2.gz AJSUNVDIQGYJEG-PGRDOPGGSA-N 0 0 463.395 4.845 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Oc1cnc2ccc(F)cc2c1 ZINC001459416947 1067319193 /nfs/dbraw/zinc/31/91/93/1067319193.db2.gz VIMJYLUVPZDSRZ-UHFFFAOYSA-N 0 0 457.626 4.860 20 0 JJADRN COc1ccc(Nc2cccc(NC(=O)c3oc4ccccc4c3CS(C)(=O)=O)c2)cc1 ZINC001453631804 1067320068 /nfs/dbraw/zinc/32/00/68/1067320068.db2.gz QEQOTYUUTRYMIT-UHFFFAOYSA-N 0 0 450.516 4.982 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CCC1 ZINC001453646368 1067320461 /nfs/dbraw/zinc/32/04/61/1067320461.db2.gz YOTJETIIYUGPDV-LJQANCHMSA-N 0 0 459.587 4.927 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546053819 1067320765 /nfs/dbraw/zinc/32/07/65/1067320765.db2.gz FVMSJPIFZRMDST-BKMJKUGQSA-N 0 0 488.076 4.565 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c(OCC(F)F)c1 ZINC001453659401 1067320835 /nfs/dbraw/zinc/32/08/35/1067320835.db2.gz PINYCXZFHFHFIF-UHFFFAOYSA-N 0 0 459.449 4.540 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@@]3(C(=O)OC)C[C@@H]3c3ccccc3)nc21 ZINC001459422036 1067320942 /nfs/dbraw/zinc/32/09/42/1067320942.db2.gz MPYGOWZJVYSWQC-QVKFZJNVSA-N 0 0 459.365 4.907 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@]3(C(=O)OC)C[C@@H]3c3ccccc3)nc21 ZINC001459422037 1067321036 /nfs/dbraw/zinc/32/10/36/1067321036.db2.gz MPYGOWZJVYSWQC-VFNWGFHPSA-N 0 0 459.365 4.907 20 0 JJADRN O=C(N[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453677767 1067321080 /nfs/dbraw/zinc/32/10/80/1067321080.db2.gz CVQVGRFIYAUBMG-NHCUHLMSSA-N 0 0 462.487 4.602 20 0 JJADRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001453674722 1067321205 /nfs/dbraw/zinc/32/12/05/1067321205.db2.gz PIHWUEONOHGMCJ-AWEZNQCLSA-N 0 0 450.402 4.908 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)NCCOc3ccc(I)cc3)s2)o1 ZINC001459423294 1067321383 /nfs/dbraw/zinc/32/13/83/1067321383.db2.gz IEJGHPSUQGKMFY-UHFFFAOYSA-N 0 0 453.301 4.730 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)OCc2c(F)ccc(Br)c2F)c1 ZINC001459423565 1067321677 /nfs/dbraw/zinc/32/16/77/1067321677.db2.gz COCIUNLJVBBYLX-UHFFFAOYSA-N 0 0 457.267 4.805 20 0 JJADRN CC(C)[C@@H](C(=O)OCc1c(F)ccc(Br)c1F)S(=O)(=O)C1CCCCC1 ZINC001459423424 1067321689 /nfs/dbraw/zinc/32/16/89/1067321689.db2.gz AYRRFNJREZRLEB-KRWDZBQOSA-N 0 0 453.345 4.543 20 0 JJADRN NC(=O)[C@@H](c1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459423532 1067321771 /nfs/dbraw/zinc/32/17/71/1067321771.db2.gz OUYGWADYLNSVGE-XMMPIXPASA-N 0 0 454.401 4.927 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459427440 1067323115 /nfs/dbraw/zinc/32/31/15/1067323115.db2.gz SFUHAFUXYRKYEL-DEOSSOPVSA-N 0 0 459.612 4.976 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)nn1-c1ccccc1C(C)C ZINC001459427375 1067323129 /nfs/dbraw/zinc/32/31/29/1067323129.db2.gz YOKLMAFVVDCLJE-UHFFFAOYSA-N 0 0 457.937 4.581 20 0 JJADRN O=C(COc1ccccc1C(=O)N1Cc2ccc(O)cc2C1)Nc1cccc(C(F)(F)F)c1 ZINC001453697379 1067323146 /nfs/dbraw/zinc/32/31/46/1067323146.db2.gz LXVMEPOWZGTSME-UHFFFAOYSA-N 0 0 456.420 4.585 20 0 JJADRN C[C@@](CO)(NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 ZINC001453694185 1067323190 /nfs/dbraw/zinc/32/31/90/1067323190.db2.gz FWGCNWCWKFUBNM-DEOSSOPVSA-N 0 0 457.448 4.734 20 0 JJADRN Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)CCCCn1cnc2c1ncnc2N ZINC001453693246 1067323323 /nfs/dbraw/zinc/32/33/23/1067323323.db2.gz RDQZPIHLHBKUFU-UHFFFAOYSA-N 0 0 452.465 4.596 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)ccn1 ZINC001459429152 1067323567 /nfs/dbraw/zinc/32/35/67/1067323567.db2.gz XERPMVDCNUEUQP-FQEVSTJZSA-N 0 0 459.974 4.956 20 0 JJADRN C[C@@](CO)(NC(=O)c1cc(Cl)c(Br)cc1F)c1cccc(C(F)(F)F)c1 ZINC001453699153 1067323668 /nfs/dbraw/zinc/32/36/68/1067323668.db2.gz NDAYQXCGAHBCJA-INIZCTEOSA-N 0 0 454.645 4.898 20 0 JJADRN C[C@](CO)(NC(=O)Cc1cc(Cl)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453698118 1067323681 /nfs/dbraw/zinc/32/36/81/1067323681.db2.gz LRGXGXITFNJEMH-QGZVFWFLSA-N 0 0 450.682 4.688 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001546108836 1067324381 /nfs/dbraw/zinc/32/43/81/1067324381.db2.gz LPNHSUUSNAYPQP-UHFFFAOYSA-N 0 0 465.063 4.506 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546108868 1067324460 /nfs/dbraw/zinc/32/44/60/1067324460.db2.gz MNEPPVZLUSEQLV-WOJBJXKFSA-N 0 0 461.651 4.936 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC[C@H]1F ZINC001453718556 1067324334 /nfs/dbraw/zinc/32/43/34/1067324334.db2.gz JDUVXSGTCFIIAQ-YWTNHNAXSA-N 0 0 459.587 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001453712398 1067324484 /nfs/dbraw/zinc/32/44/84/1067324484.db2.gz QGXHDKXCTIOJGM-VGSWGCGISA-N 0 0 453.366 4.583 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)C1 ZINC001546108905 1067324819 /nfs/dbraw/zinc/32/48/19/1067324819.db2.gz NXMOGOOIAORKQS-NRFANRHFSA-N 0 0 487.645 4.861 20 0 JJADRN Cn1nccc1[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 ZINC001459434180 1067324975 /nfs/dbraw/zinc/32/49/75/1067324975.db2.gz GJMNWTDVVQKROJ-CQSZACIVSA-N 0 0 459.319 4.529 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)cc1 ZINC001453737937 1067325132 /nfs/dbraw/zinc/32/51/32/1067325132.db2.gz MBYUJGWJGVMPNS-QGZVFWFLSA-N 0 0 454.523 4.531 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC001459445237 1067326057 /nfs/dbraw/zinc/32/60/57/1067326057.db2.gz BVKLQPYTQCCRJE-UHFFFAOYSA-N 0 0 459.546 4.504 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001453743743 1067326372 /nfs/dbraw/zinc/32/63/72/1067326372.db2.gz FEBNODCIVFIGCF-ZWKOTPCHSA-N 0 0 454.926 4.617 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)N[C@H](c2nccn2C)c2ccc(Br)cc2)cc1F ZINC001453742539 1067326416 /nfs/dbraw/zinc/32/64/16/1067326416.db2.gz KJHBODNSTUMVEG-WXFJXSOESA-N 0 0 458.331 4.639 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001453742339 1067326496 /nfs/dbraw/zinc/32/64/96/1067326496.db2.gz VUJNCRBVOPWOSK-QGZVFWFLSA-N 0 0 451.539 4.806 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N[C@@H](c2nccn2C)c2ccc(Br)cc2)cc1F ZINC001453742530 1067326537 /nfs/dbraw/zinc/32/65/37/1067326537.db2.gz KJHBODNSTUMVEG-CMQXMCPJSA-N 0 0 458.331 4.639 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccn(-c2cccc(Br)c2)n1 ZINC001459450634 1067326404 /nfs/dbraw/zinc/32/64/04/1067326404.db2.gz NZXCEBVEUIQHJW-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN CC(=O)N(c1nc(CN2CCCC[C@H]2C2OCCO2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459450215 1067326507 /nfs/dbraw/zinc/32/65/07/1067326507.db2.gz HIWBHTGRYMDPQJ-SFHVURJKSA-N 0 0 456.395 4.862 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001546108984 1067327331 /nfs/dbraw/zinc/32/73/31/1067327331.db2.gz QHKOBVXKOGAUIE-FDDCHVKYSA-N 0 0 466.548 4.639 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCCc2cc(Br)ccc21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001453767908 1067328085 /nfs/dbraw/zinc/32/80/85/1067328085.db2.gz ILZWLRIVLWSDGK-IFXJQAMLSA-N 0 0 451.405 4.836 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)F)nc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001459456089 1067328173 /nfs/dbraw/zinc/32/81/73/1067328173.db2.gz MKHDRYOAEQDKIW-SJORKVTESA-N 0 0 467.900 4.926 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C3CC3)n(CC)n2)cc1 ZINC001459458364 1067328533 /nfs/dbraw/zinc/32/85/33/1067328533.db2.gz IILSABJGMNZQJK-QHCPKHFHSA-N 0 0 452.599 4.777 20 0 JJADRN CCc1oc(C(=O)OC)cc1CN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001459457646 1067328579 /nfs/dbraw/zinc/32/85/79/1067328579.db2.gz RODFCVLFAMURME-UHFFFAOYSA-N 0 0 451.498 4.970 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(-c2cn3c(n2)N(C(=O)CSC(F)(F)F)CCC3)c1 ZINC001453770548 1067328628 /nfs/dbraw/zinc/32/86/28/1067328628.db2.gz HTSMJRHUEWQLLV-UHFFFAOYSA-N 0 0 456.490 4.887 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)O1 ZINC001546054763 1067328643 /nfs/dbraw/zinc/32/86/43/1067328643.db2.gz SAILWLLCMHNINK-XHNVNVPESA-N 0 0 463.667 4.565 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC001453774370 1067328951 /nfs/dbraw/zinc/32/89/51/1067328951.db2.gz WQYFQQWKQLKPLJ-OAQYLSRUSA-N 0 0 453.514 4.603 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cc(Br)cn2ccnc12 ZINC001453773813 1067328989 /nfs/dbraw/zinc/32/89/89/1067328989.db2.gz HADLBWPGOSNLIW-UHFFFAOYSA-N 0 0 450.218 4.758 20 0 JJADRN COc1cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2cc1OC ZINC001453773067 1067329000 /nfs/dbraw/zinc/32/90/00/1067329000.db2.gz SQDMPUNIDRIGEI-QGZVFWFLSA-N 0 0 451.498 4.879 20 0 JJADRN C[C@H](C(=O)OCc1nc(-c2ccccn2)cs1)c1ccc(I)cc1 ZINC001459461072 1067329512 /nfs/dbraw/zinc/32/95/12/1067329512.db2.gz OXDGPAUSMFINRW-LBPRGKRZSA-N 0 0 450.301 4.657 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001453788127 1067329661 /nfs/dbraw/zinc/32/96/61/1067329661.db2.gz SUTCLVOQWYHNQB-BXKMTCNYSA-N 0 0 458.628 4.731 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1OC ZINC001453787547 1067329773 /nfs/dbraw/zinc/32/97/73/1067329773.db2.gz RJKOFWBKEFABAL-OAQYLSRUSA-N 0 0 456.377 4.583 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001459461124 1067330160 /nfs/dbraw/zinc/33/01/60/1067330160.db2.gz AAZJUQKFGISKNB-RTBURBONSA-N 0 0 456.739 4.919 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC001453820330 1067330494 /nfs/dbraw/zinc/33/04/94/1067330494.db2.gz OREVOTUJDXPJTG-FCHUYYIVSA-N 0 0 459.876 4.680 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(Cl)cc1 ZINC001453819041 1067330507 /nfs/dbraw/zinc/33/05/07/1067330507.db2.gz NUUMWJDAFGRDBG-RMZNPGBWSA-N 0 0 455.860 4.544 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl ZINC001459464041 1067330943 /nfs/dbraw/zinc/33/09/43/1067330943.db2.gz JGMWHYQOOKWIOX-HXUWFJFHSA-N 0 0 458.990 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)C1 ZINC001453820403 1067331130 /nfs/dbraw/zinc/33/11/30/1067331130.db2.gz LADHZZFZLMMSNR-GCJKJVERSA-N 0 0 458.496 4.834 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2)c1 ZINC001453824180 1067331263 /nfs/dbraw/zinc/33/12/63/1067331263.db2.gz RPZOHAVYLWMBQK-SFHVURJKSA-N 0 0 456.995 4.522 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2)c1 ZINC001453824175 1067331396 /nfs/dbraw/zinc/33/13/96/1067331396.db2.gz RPZOHAVYLWMBQK-GOSISDBHSA-N 0 0 456.995 4.522 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCc1nnc2ccc(Cl)cn21 ZINC001453832070 1067331555 /nfs/dbraw/zinc/33/15/55/1067331555.db2.gz RUTDGQQNIGFMQP-UHFFFAOYSA-N 0 0 452.754 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)[C@@H](c2cccc(F)c2)C1 ZINC001459466493 1067332039 /nfs/dbraw/zinc/33/20/39/1067332039.db2.gz NNLADVWMIRMNIO-XQXKNUKBSA-N 0 0 458.574 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)[C@@H](c2ccccc2Cl)C1 ZINC001459467438 1067332051 /nfs/dbraw/zinc/33/20/51/1067332051.db2.gz PMZJSFHCRCBCBR-OAQYLSRUSA-N 0 0 454.954 4.936 20 0 JJADRN O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001453857675 1067332279 /nfs/dbraw/zinc/33/22/79/1067332279.db2.gz ALWTWRUHGFREOH-YHBLIXGUSA-N 0 0 454.517 4.878 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001459467825 1067332356 /nfs/dbraw/zinc/33/23/56/1067332356.db2.gz NCVIGUINWLIICQ-ANIGNSTFSA-N 0 0 454.325 4.771 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001459467838 1067332379 /nfs/dbraw/zinc/33/23/79/1067332379.db2.gz NCVIGUINWLIICQ-PAKAJVGYSA-N 0 0 454.325 4.771 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)CC(=O)OC(C)(C)C ZINC001453866488 1067332683 /nfs/dbraw/zinc/33/26/83/1067332683.db2.gz FBZBKWWWGMYCKQ-FCEUTRGCSA-N 0 0 450.417 4.845 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459469136 1067332734 /nfs/dbraw/zinc/33/27/34/1067332734.db2.gz NPLJIJCVBQQJQC-GBXCKJPGSA-N 0 0 451.007 4.993 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459469184 1067332905 /nfs/dbraw/zinc/33/29/05/1067332905.db2.gz NPLJIJCVBQQJQC-YKSBVNFPSA-N 0 0 451.007 4.993 20 0 JJADRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001459472713 1067333511 /nfs/dbraw/zinc/33/35/11/1067333511.db2.gz FXNROGPKNMXZCO-OAQYLSRUSA-N 0 0 453.329 4.512 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCC(F)(F)c1ccc(Br)cc1 ZINC001453883674 1067334211 /nfs/dbraw/zinc/33/42/11/1067334211.db2.gz SZEKQJQLDUZFHU-UHFFFAOYSA-N 0 0 457.624 4.967 20 0 JJADRN O=C(N[C@H](CO)c1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001453890225 1067334561 /nfs/dbraw/zinc/33/45/61/1067334561.db2.gz OTNQXBVSWAZMQE-JOCHJYFZSA-N 0 0 453.876 4.934 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1C ZINC001453888674 1067334618 /nfs/dbraw/zinc/33/46/18/1067334618.db2.gz HXEDQXBNQLETMH-WLRWDXFRSA-N 0 0 450.370 4.631 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1C ZINC001453888632 1067334644 /nfs/dbraw/zinc/33/46/44/1067334644.db2.gz HXEDQXBNQLETMH-JEOXALJRSA-N 0 0 450.370 4.631 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476071 1067334739 /nfs/dbraw/zinc/33/47/39/1067334739.db2.gz LEUCPALDLHTSJR-UXHICEINSA-N 0 0 453.583 4.995 20 0 JJADRN CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1Cl ZINC001459476094 1067334857 /nfs/dbraw/zinc/33/48/57/1067334857.db2.gz CPOCMRCQOBPBQH-MRXNPFEDSA-N 0 0 454.741 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)c1c(F)cccc1F ZINC001453909400 1067335316 /nfs/dbraw/zinc/33/53/16/1067335316.db2.gz MDLKXVCYGQUTAK-MRXNPFEDSA-N 0 0 454.836 4.838 20 0 JJADRN CNC(=O)CC1(CNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CCCCC1 ZINC001453911191 1067335462 /nfs/dbraw/zinc/33/54/62/1067335462.db2.gz VLMSIKBEAXTHEF-UHFFFAOYSA-N 0 0 450.608 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)[C@H](c2ccncc2)C1 ZINC001459479854 1067335482 /nfs/dbraw/zinc/33/54/82/1067335482.db2.gz ISKXVKOANPPFGH-NRFANRHFSA-N 0 0 455.986 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CN3CCC[C@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480577 1067335637 /nfs/dbraw/zinc/33/56/37/1067335637.db2.gz RXCUJGQNXSFLSZ-DEOSSOPVSA-N 0 0 450.579 4.688 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CN3CCC[C@@H]3C(=O)OCc3ccccc3)cccc2C1 ZINC001459480584 1067335699 /nfs/dbraw/zinc/33/56/99/1067335699.db2.gz RXCUJGQNXSFLSZ-XMMPIXPASA-N 0 0 450.579 4.688 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001459481444 1067336229 /nfs/dbraw/zinc/33/62/29/1067336229.db2.gz SOTMUUMYJXLPSR-SSVKHQHASA-N 0 0 453.542 4.756 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)c2)cn1 ZINC001459487341 1067336577 /nfs/dbraw/zinc/33/65/77/1067336577.db2.gz RIURIGTZQVTEEA-HXUWFJFHSA-N 0 0 457.299 4.734 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001459486778 1067336705 /nfs/dbraw/zinc/33/67/05/1067336705.db2.gz RJCLBGXXALWYON-QFIPXVFZSA-N 0 0 454.998 4.952 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)nn1-c1ccc(Cl)cc1 ZINC001459489729 1067336932 /nfs/dbraw/zinc/33/69/32/1067336932.db2.gz UDEZSNHFVWPIEI-XMMPIXPASA-N 0 0 458.990 4.697 20 0 JJADRN O=C(CN1CCCCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459488459 1067337030 /nfs/dbraw/zinc/33/70/30/1067337030.db2.gz MCNONYSAYGPDDL-IBGZPJMESA-N 0 0 456.942 4.892 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC001459490095 1067337617 /nfs/dbraw/zinc/33/76/17/1067337617.db2.gz YTFCJYHQHCGQCB-CQSZACIVSA-N 0 0 456.801 4.973 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493636 1067338103 /nfs/dbraw/zinc/33/81/03/1067338103.db2.gz MAHOGNMRBUQYJG-MGPUTAFESA-N 0 0 457.334 4.880 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1 ZINC001459498958 1067339182 /nfs/dbraw/zinc/33/91/82/1067339182.db2.gz WVSTUIUFQMCPRG-OAQYLSRUSA-N 0 0 458.578 4.696 20 0 JJADRN O=C(CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)Nc1ccc(Cl)nc1 ZINC001459503873 1067339552 /nfs/dbraw/zinc/33/95/52/1067339552.db2.gz ROHBWFDRXAIFLO-UHFFFAOYSA-N 0 0 453.905 4.515 20 0 JJADRN COc1cccc(-c2nc(CN3CCN([C@@H](C)c4ccc(Br)cc4)CC3)co2)c1 ZINC001459500631 1067339582 /nfs/dbraw/zinc/33/95/82/1067339582.db2.gz ZCXGTNYOUWRDOA-KRWDZBQOSA-N 0 0 456.384 4.992 20 0 JJADRN CC(=O)NCC(C)(C)C(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001459507164 1067340573 /nfs/dbraw/zinc/34/05/73/1067340573.db2.gz FYDPUCDIMXGTOF-NRFANRHFSA-N 0 0 450.501 4.836 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Oc1cc(F)c(Br)cc1Cl ZINC001459507474 1067340692 /nfs/dbraw/zinc/34/06/92/1067340692.db2.gz CEMVELJENZARFN-UHFFFAOYSA-N 0 0 458.711 4.756 20 0 JJADRN CC(=O)NCC(C)(C)C(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001459507169 1067340754 /nfs/dbraw/zinc/34/07/54/1067340754.db2.gz FYDPUCDIMXGTOF-OAQYLSRUSA-N 0 0 450.501 4.836 20 0 JJADRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001459507807 1067340992 /nfs/dbraw/zinc/34/09/92/1067340992.db2.gz DKXFREZQFTZVPK-OAQYLSRUSA-N 0 0 454.876 4.769 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC(F)(c4cc(OC)cc(OC)c4)CC3)c2)cc1 ZINC001459509441 1067341373 /nfs/dbraw/zinc/34/13/73/1067341373.db2.gz DVIDSBGNPPDAOM-UHFFFAOYSA-N 0 0 450.510 4.875 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(C)(C)C ZINC001459510799 1067341510 /nfs/dbraw/zinc/34/15/10/1067341510.db2.gz BAHAZFBSJMKTRD-QGZVFWFLSA-N 0 0 452.393 4.529 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CCC=C(Br)C1)NCC1CCCCC1 ZINC001459511723 1067341964 /nfs/dbraw/zinc/34/19/64/1067341964.db2.gz SFCQLGSFKJWFSE-UHFFFAOYSA-N 0 0 451.430 4.600 20 0 JJADRN COc1cc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(C)C)CC2)ccc1F ZINC001459513236 1067342123 /nfs/dbraw/zinc/34/21/23/1067342123.db2.gz OSZUSNGORIIVDN-UHFFFAOYSA-N 0 0 456.949 4.759 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC(F)(c4cc(OC)cc(OC)c4)CC3)s2)cc1 ZINC001459515719 1067342655 /nfs/dbraw/zinc/34/26/55/1067342655.db2.gz SDEAKIONRQOELP-UHFFFAOYSA-N 0 0 456.539 4.937 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCOc3c(Br)cccc32)cc1)c1ccccc1 ZINC001459519806 1067343551 /nfs/dbraw/zinc/34/35/51/1067343551.db2.gz AXBBPBJUCHOEOO-UHFFFAOYSA-N 0 0 451.320 4.765 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521214 1067343600 /nfs/dbraw/zinc/34/36/00/1067343600.db2.gz OLAHEGOGQWYMSP-SJORKVTESA-N 0 0 450.576 4.823 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)C(C)(C)C1 ZINC001459522277 1067343823 /nfs/dbraw/zinc/34/38/23/1067343823.db2.gz BEFMPJGHJNDVMG-QGZVFWFLSA-N 0 0 451.539 4.854 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)c1 ZINC001459523053 1067344336 /nfs/dbraw/zinc/34/43/36/1067344336.db2.gz LZBVMBYUNUFHHY-UHFFFAOYSA-N 0 0 452.482 4.594 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c21 ZINC001459527534 1067345017 /nfs/dbraw/zinc/34/50/17/1067345017.db2.gz OEDYKSUGBJLGLM-SFHVURJKSA-N 0 0 456.587 4.989 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001459526797 1067345028 /nfs/dbraw/zinc/34/50/28/1067345028.db2.gz NIICWYIONAETFH-UHFFFAOYSA-N 0 0 459.370 4.581 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC001459531888 1067346777 /nfs/dbraw/zinc/34/67/77/1067346777.db2.gz XIQXAUADGHUXGL-KRWDZBQOSA-N 0 0 453.967 4.674 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC001459534024 1067347050 /nfs/dbraw/zinc/34/70/50/1067347050.db2.gz VPIJBOGTADVZJG-ZCNNSNEGSA-N 0 0 452.595 4.758 20 0 JJADRN CC(C)c1c(C(=O)NCc2ccncc2OCC(F)(F)F)cnn1-c1ccccc1Cl ZINC001459535548 1067347393 /nfs/dbraw/zinc/34/73/93/1067347393.db2.gz YMYUPHIAOBOAJL-UHFFFAOYSA-N 0 0 452.864 4.915 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3C[C@@H](C)CC[C@H]3C)sc3c2CCCC3)cc1 ZINC001459540926 1067348099 /nfs/dbraw/zinc/34/80/99/1067348099.db2.gz LLKFMWMEKQLJOQ-DLBZAZTESA-N 0 0 455.624 4.947 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001459550775 1067349031 /nfs/dbraw/zinc/34/90/31/1067349031.db2.gz RDJRCQFIWGGPJB-XOKHGSTOSA-N 0 0 458.126 4.800 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)c(C)c1 ZINC001459552210 1067349310 /nfs/dbraw/zinc/34/93/10/1067349310.db2.gz FDFTZUGEIQHZDC-UHFFFAOYSA-N 0 0 459.521 4.979 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1C ZINC001459552598 1067349342 /nfs/dbraw/zinc/34/93/42/1067349342.db2.gz YTRWYAZVQAAVDL-UHFFFAOYSA-N 0 0 458.183 4.843 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001459552735 1067349474 /nfs/dbraw/zinc/34/94/74/1067349474.db2.gz BQNZYCFETXGQFG-GOSISDBHSA-N 0 0 451.869 4.625 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001459553706 1067349872 /nfs/dbraw/zinc/34/98/72/1067349872.db2.gz FUYJAGWCEJOZOL-QGZVFWFLSA-N 0 0 452.782 4.687 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459555620 1067350172 /nfs/dbraw/zinc/35/01/72/1067350172.db2.gz BZHHWPPLKYPNRB-HNNXBMFYSA-N 0 0 451.792 4.768 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459555623 1067350412 /nfs/dbraw/zinc/35/04/12/1067350412.db2.gz BZHHWPPLKYPNRB-OAHLLOKOSA-N 0 0 451.792 4.768 20 0 JJADRN Cc1cc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558525 1067350829 /nfs/dbraw/zinc/35/08/29/1067350829.db2.gz WHVVCWSUBILQSO-QGZVFWFLSA-N 0 0 458.384 4.739 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1Cl ZINC001459560596 1067351211 /nfs/dbraw/zinc/35/12/11/1067351211.db2.gz UCFMZTBAUXGZMV-PZJWPPBQSA-N 0 0 456.995 4.856 20 0 JJADRN C[C@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@H](C(F)(F)F)O1 ZINC001459559635 1067351288 /nfs/dbraw/zinc/35/12/88/1067351288.db2.gz HHTVXXPXMFMHKO-MEDUHNTESA-N 0 0 456.262 4.804 20 0 JJADRN C[C@@H]1CCN(c2cc(C(=O)N3CCC(F)(c4ccccc4OC(F)(F)F)CC3)ccn2)C1 ZINC001459559918 1067351319 /nfs/dbraw/zinc/35/13/19/1067351319.db2.gz ZMMWBJVBQJLXTL-MRXNPFEDSA-N 0 0 451.464 4.927 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](CO)c3c(F)cccc3F)c2)cc1 ZINC001546109936 1067352166 /nfs/dbraw/zinc/35/21/66/1067352166.db2.gz NVDAXIUFLBNIFI-XMMPIXPASA-N 0 0 453.485 4.529 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(I)cc2Cl)c1 ZINC001459563358 1067352266 /nfs/dbraw/zinc/35/22/66/1067352266.db2.gz KTHIYBGYCWXAED-UHFFFAOYSA-N 0 0 457.699 4.647 20 0 JJADRN CCOC(=O)C1=C(CN2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563728 1067352308 /nfs/dbraw/zinc/35/23/08/1067352308.db2.gz NCEHQRXYVHYQGU-OHEPNIRZSA-N 0 0 457.958 4.577 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc1N1CCNC1=O ZINC001459564706 1067352893 /nfs/dbraw/zinc/35/28/93/1067352893.db2.gz PCYWKSAKLPGAGG-UHFFFAOYSA-N 0 0 456.518 4.843 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)nc(Br)c1)c1nc(C(F)(F)F)cs1 ZINC001459565233 1067353134 /nfs/dbraw/zinc/35/31/34/1067353134.db2.gz TXSZBYQNMWAPEN-RXMQYKEDSA-N 0 0 459.085 4.573 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC001459566382 1067353513 /nfs/dbraw/zinc/35/35/13/1067353513.db2.gz CDPGVTSRGBETQX-RUZDIDTESA-N 0 0 451.592 4.678 20 0 JJADRN CC(C)c1ccccc1OCCC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC001459566793 1067353544 /nfs/dbraw/zinc/35/35/44/1067353544.db2.gz DPIJJHJZPAAUEP-UHFFFAOYSA-N 0 0 457.372 4.581 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC001459566384 1067353769 /nfs/dbraw/zinc/35/37/69/1067353769.db2.gz CDPGVTSRGBETQX-VWLOTQADSA-N 0 0 451.592 4.678 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC001459567940 1067354190 /nfs/dbraw/zinc/35/41/90/1067354190.db2.gz GBTWHBFPYSYBMH-UHFFFAOYSA-N 0 0 456.955 4.774 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571476 1067354879 /nfs/dbraw/zinc/35/48/79/1067354879.db2.gz BDZITCUMOLLVOE-ZFWWWQNUSA-N 0 0 458.550 4.588 20 0 JJADRN O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001459574240 1067355168 /nfs/dbraw/zinc/35/51/68/1067355168.db2.gz YYYQUDUOIWZNNQ-UHFFFAOYSA-N 0 0 454.439 4.782 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC001459573393 1067355319 /nfs/dbraw/zinc/35/53/19/1067355319.db2.gz NKGOEEAMZUZGFR-UHFFFAOYSA-N 0 0 450.358 4.505 20 0 JJADRN C[C@@H]1CN(CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)[C@H](c2ccccc2)CO1 ZINC001459583745 1067357190 /nfs/dbraw/zinc/35/71/90/1067357190.db2.gz WDSYDBHOQRGHDE-BLFHIAQRSA-N 0 0 454.998 4.599 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001459585903 1067357506 /nfs/dbraw/zinc/35/75/06/1067357506.db2.gz XKDQOSBXNFQFNN-SFHVURJKSA-N 0 0 452.352 4.795 20 0 JJADRN Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 ZINC001459584187 1067357517 /nfs/dbraw/zinc/35/75/17/1067357517.db2.gz FTUUEYBAMBYFSO-QGZVFWFLSA-N 0 0 455.892 4.908 20 0 JJADRN Cc1sc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001459587571 1067358005 /nfs/dbraw/zinc/35/80/05/1067358005.db2.gz WOFLBUAGMOQZNS-OAQYLSRUSA-N 0 0 454.983 4.898 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001459586778 1067358023 /nfs/dbraw/zinc/35/80/23/1067358023.db2.gz MGHYPTMNRIYXAS-UHFFFAOYSA-N 0 0 459.974 4.601 20 0 JJADRN COc1ccc(SCCC(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc1OC ZINC001459589246 1067358575 /nfs/dbraw/zinc/35/85/75/1067358575.db2.gz OBMUWRUHGJLTFQ-ZDUSSCGKSA-N 0 0 452.370 4.763 20 0 JJADRN COc1ccc(SCCC(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1OC ZINC001459589243 1067358597 /nfs/dbraw/zinc/35/85/97/1067358597.db2.gz OBMUWRUHGJLTFQ-CYBMUJFWSA-N 0 0 452.370 4.763 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001459589147 1067358746 /nfs/dbraw/zinc/35/87/46/1067358746.db2.gz ZTVZJMKRHHPSMJ-GHTZIAJQSA-N 0 0 458.377 4.682 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001459590508 1067359192 /nfs/dbraw/zinc/35/91/92/1067359192.db2.gz RSAYKDUMOIATMR-SPLOXXLWSA-N 0 0 455.313 4.887 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC001459595086 1067359366 /nfs/dbraw/zinc/35/93/66/1067359366.db2.gz QJFTYLMLWDTORH-CQSZACIVSA-N 0 0 453.764 4.643 20 0 JJADRN C[C@H]1CN(C(=O)c2cccnc2OCc2ccccc2F)c2cc(Br)ccc2O1 ZINC001459594861 1067359671 /nfs/dbraw/zinc/35/96/71/1067359671.db2.gz WWNXSHRHEYMHSF-AWEZNQCLSA-N 0 0 457.299 4.990 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC001459601301 1067360865 /nfs/dbraw/zinc/36/08/65/1067360865.db2.gz DERUASKMBUWLQK-UHFFFAOYSA-N 0 0 457.574 4.754 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Cl)c(I)c1 ZINC001459609696 1067362765 /nfs/dbraw/zinc/36/27/65/1067362765.db2.gz LLIVETWAVMRZND-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001459609776 1067362878 /nfs/dbraw/zinc/36/28/78/1067362878.db2.gz MSLNBYLPIJWEEP-QFIPXVFZSA-N 0 0 453.384 4.934 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2CCCCNC(=O)OC(C)(C)C)C1 ZINC001546110474 1067362927 /nfs/dbraw/zinc/36/29/27/1067362927.db2.gz AOYASYQVQGHVAC-UHFFFAOYSA-N 0 0 456.635 4.585 20 0 JJADRN CC(C)(C)c1cc(C(=O)O[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)nc2ncnn21 ZINC001459612176 1067363448 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IRNMELOWLXPTLE-JOCHJYFZSA-N 0 0 493.618 4.733 20 0 JJADRN COc1cccc(-n2cc(C(=O)Nc3nc(C)c(Cc4ccc(Cl)cc4F)s3)nn2)c1 ZINC001459640933 1067370622 /nfs/dbraw/zinc/37/06/22/1067370622.db2.gz ZUIMWXCZFCTQFW-UHFFFAOYSA-N 0 0 457.918 4.676 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001459645813 1067371131 /nfs/dbraw/zinc/37/11/31/1067371131.db2.gz BWMQKMDDVSLMTM-UHFFFAOYSA-N 0 0 459.373 4.998 20 0 JJADRN O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1ccc(Cl)cc1I ZINC001459648526 1067371271 /nfs/dbraw/zinc/37/12/71/1067371271.db2.gz ZGGXSACXIZAYBK-UHFFFAOYSA-N 0 0 459.114 4.938 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1)c1ccccc1 ZINC001459651293 1067371788 /nfs/dbraw/zinc/37/17/88/1067371788.db2.gz HOMOBUFADGPOLS-KRWDZBQOSA-N 0 0 454.368 4.746 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001459650500 1067371959 /nfs/dbraw/zinc/37/19/59/1067371959.db2.gz PBCHOCGQNDRYFL-AWEZNQCLSA-N 0 0 458.382 4.780 20 0 JJADRN CC(C)(C)c1nc(COC(=O)CCc2cc(Br)c(Br)s2)no1 ZINC001459650121 1067372042 /nfs/dbraw/zinc/37/20/42/1067372042.db2.gz HWHMAQOTAFCQQP-UHFFFAOYSA-N 0 0 452.168 4.630 20 0 JJADRN CC(C)(C)c1ccc(CCNC(=O)CN(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC001459652460 1067372177 /nfs/dbraw/zinc/37/21/77/1067372177.db2.gz STZJUIJQNPTYIC-XMMPIXPASA-N 0 0 450.648 4.940 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001459650835 1067372434 /nfs/dbraw/zinc/37/24/34/1067372434.db2.gz GTYQKULNPFDQFZ-UUOWRZLLSA-N 0 0 455.551 4.617 20 0 JJADRN Cc1ccc([C@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC001459655841 1067372881 /nfs/dbraw/zinc/37/28/81/1067372881.db2.gz MAVCSBSXOVWBKA-ZLXAQAKASA-N 0 0 459.917 4.885 20 0 JJADRN O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001459658992 1067373820 /nfs/dbraw/zinc/37/38/20/1067373820.db2.gz LGPPBDBEJUNBGI-SFHVURJKSA-N 0 0 452.338 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccnc1OCc1ccccc1F)C1CCCC1 ZINC001459659597 1067373879 /nfs/dbraw/zinc/37/38/79/1067373879.db2.gz HYCUGZBLCIZGLL-NRFANRHFSA-N 0 0 457.546 4.613 20 0 JJADRN CCC1(CC)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(C)C)c2)C1 ZINC001546110800 1067373978 /nfs/dbraw/zinc/37/39/78/1067373978.db2.gz NTPNPJAELNZUTJ-UHFFFAOYSA-N 0 0 453.631 4.500 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)c2)c1C ZINC001459660033 1067374147 /nfs/dbraw/zinc/37/41/47/1067374147.db2.gz IJSLTFGLJWTTPA-QHCPKHFHSA-N 0 0 454.615 4.865 20 0 JJADRN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001459662696 1067374968 /nfs/dbraw/zinc/37/49/68/1067374968.db2.gz VQFWBOGOOPORJB-UHFFFAOYSA-N 0 0 458.257 4.700 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546110923 1067376320 /nfs/dbraw/zinc/37/63/20/1067376320.db2.gz SBTWSEOCCANZNH-UHFFFAOYSA-N 0 0 456.635 4.537 20 0 JJADRN O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC001459665559 1067376781 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/nfs/dbraw/zinc/37/97/18/1067379718.db2.gz GSSGEMNEVDXHML-UHFFFAOYSA-N 0 0 450.963 4.764 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1(c2ccccc2)CCCCCC1 ZINC001459676561 1067380782 /nfs/dbraw/zinc/38/07/82/1067380782.db2.gz DVFOTJHJRRAALD-NRFANRHFSA-N 0 0 455.396 4.963 20 0 JJADRN O=c1[nH]c2ccc(N(Cc3ccccc3F)C[C@H](O)c3ccccc3Br)cc2[nH]1 ZINC001459676865 1067380970 /nfs/dbraw/zinc/38/09/70/1067380970.db2.gz LMSVHDLXUJZHKX-NRFANRHFSA-N 0 0 456.315 4.910 20 0 JJADRN Cc1cc(-n2cc(COC(=O)c3cc(F)c(OCc4ccccc4)c(F)c3)nn2)ccc1F ZINC001459677567 1067381260 /nfs/dbraw/zinc/38/12/60/1067381260.db2.gz IPANQEQBJLOHAO-UHFFFAOYSA-N 0 0 453.420 4.929 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(Oc2ccccc2)c1 ZINC001459679410 1067381427 /nfs/dbraw/zinc/38/14/27/1067381427.db2.gz SAYLIWNEVLSSQO-NRFANRHFSA-N 0 0 451.320 4.777 20 0 JJADRN Cc1cc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)nn1-c1ccc(C)cc1 ZINC001459679747 1067381452 /nfs/dbraw/zinc/38/14/52/1067381452.db2.gz DHFCMOLKOMSRQM-UHFFFAOYSA-N 0 0 459.468 4.823 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC ZINC001459682728 1067382345 /nfs/dbraw/zinc/38/23/45/1067382345.db2.gz QZQWLIUYTOWJMV-MRXNPFEDSA-N 0 0 451.485 4.723 20 0 JJADRN COc1ccc(-c2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc2OC(F)F)cc1 ZINC001459685011 1067382897 /nfs/dbraw/zinc/38/28/97/1067382897.db2.gz JTPOALZGCHAXBE-UHFFFAOYSA-N 0 0 453.507 4.650 20 0 JJADRN COC(=O)COc1cccc(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)c1 ZINC001459684866 1067383061 /nfs/dbraw/zinc/38/30/61/1067383061.db2.gz GUETVLGHCBLXQV-UHFFFAOYSA-N 0 0 457.429 4.768 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC001459686788 1067383508 /nfs/dbraw/zinc/38/35/08/1067383508.db2.gz GIOBZUIOQQFPPU-IBGZPJMESA-N 0 0 456.361 4.645 20 0 JJADRN Cn1nc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c(Br)c1C(F)(F)F ZINC001459687594 1067383720 /nfs/dbraw/zinc/38/37/20/1067383720.db2.gz JHYXBPYUQVYNOP-CQSZACIVSA-N 0 0 450.258 4.994 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCc3cc(C)ccc3O2)c(Br)c1 ZINC001459688720 1067384245 /nfs/dbraw/zinc/38/42/45/1067384245.db2.gz KIOXGTNFYGELQY-OFNKIYASSA-N 0 0 458.396 4.967 20 0 JJADRN C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)cc1Cl ZINC001459690766 1067384954 /nfs/dbraw/zinc/38/49/54/1067384954.db2.gz YQSPIDCSIOZZJP-JTQLQIEISA-N 0 0 450.103 4.854 20 0 JJADRN Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)o2)cc1C ZINC001459691074 1067385214 /nfs/dbraw/zinc/38/52/14/1067385214.db2.gz QIWCPCDWDANBAO-KRWDZBQOSA-N 0 0 458.484 4.891 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)CN2CCn3cccc3[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC001459694142 1067386079 /nfs/dbraw/zinc/38/60/79/1067386079.db2.gz PLZUGFRRVYXOSA-HSZRJFAPSA-N 0 0 456.468 4.509 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459695216 1067386438 /nfs/dbraw/zinc/38/64/38/1067386438.db2.gz MTBPEIGKJUFAHT-UHFFFAOYSA-N 0 0 450.397 4.937 20 0 JJADRN CCCCn1c(N)c(N(Cc2ccccc2)Cc2cccc(OC(C)(C)C)c2)c(=O)[nH]c1=O ZINC001459695126 1067386487 /nfs/dbraw/zinc/38/64/87/1067386487.db2.gz RZAXQMHEMRVLBT-UHFFFAOYSA-N 0 0 450.583 4.715 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(Cl)cc1Cl ZINC001459696757 1067386852 /nfs/dbraw/zinc/38/68/52/1067386852.db2.gz FNEIBZSRIWXGRZ-ZIAGYGMSSA-N 0 0 455.769 4.752 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)C2)cc1 ZINC001459700629 1067388043 /nfs/dbraw/zinc/38/80/43/1067388043.db2.gz XMYJWPBUKXCEKB-MQSCRBSSSA-N 0 0 454.636 4.885 20 0 JJADRN CCCCNC(=O)C1(NCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)CCCCC1 ZINC001459703699 1067388409 /nfs/dbraw/zinc/38/84/09/1067388409.db2.gz YSNIBSAPJPDJPD-UHFFFAOYSA-N 0 0 456.656 4.883 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN(C)CC(=O)Nc3cc(F)cc(F)c3)n2)cc1 ZINC001459701814 1067388585 /nfs/dbraw/zinc/38/85/85/1067388585.db2.gz RNRPZYNIXWNUCO-UHFFFAOYSA-N 0 0 458.534 4.550 20 0 JJADRN CCN(CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)Cc1cnn(C)c1 ZINC001459704391 1067388874 /nfs/dbraw/zinc/38/88/74/1067388874.db2.gz 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0 455.312 4.636 20 0 JJADRN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001459782310 1067419046 /nfs/dbraw/zinc/41/90/46/1067419046.db2.gz FBVFMZNCNQXISF-LBPRGKRZSA-N 0 0 457.246 4.877 20 0 JJADRN O=C(c1ccnc(F)c1F)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001459782947 1067419501 /nfs/dbraw/zinc/41/95/01/1067419501.db2.gz MKCMQUKUYIGZBY-HNNXBMFYSA-N 0 0 457.340 4.539 20 0 JJADRN CCc1c(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cnn1-c1ccccc1Cl ZINC001459783284 1067419980 /nfs/dbraw/zinc/41/99/80/1067419980.db2.gz PDARVSWAQGNJCQ-HDICACEKSA-N 0 0 452.942 4.732 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(-c3ccco3)cc2F)c1 ZINC001459787873 1067422060 /nfs/dbraw/zinc/42/20/60/1067422060.db2.gz NFMSYZHFHDKFAE-QFIPXVFZSA-N 0 0 454.498 4.977 20 0 JJADRN O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1 ZINC001459791391 1067424371 /nfs/dbraw/zinc/42/43/71/1067424371.db2.gz ILSHEZRUMVZFQF-UHFFFAOYSA-N 0 0 452.761 4.702 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459792347 1067424824 /nfs/dbraw/zinc/42/48/24/1067424824.db2.gz MKYMYXDZGVSRGT-UHFFFAOYSA-N 0 0 456.262 4.660 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001459792442 1067424894 /nfs/dbraw/zinc/42/48/94/1067424894.db2.gz WIQKATRBLQCECO-FPLPWBNLSA-N 0 0 452.532 4.618 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459792542 1067425636 /nfs/dbraw/zinc/42/56/36/1067425636.db2.gz UNCBHGALRCVNAL-IIBYNOLFSA-N 0 0 455.368 4.584 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001459794392 1067426748 /nfs/dbraw/zinc/42/67/48/1067426748.db2.gz LTYVPFHZNITJHY-INIZCTEOSA-N 0 0 457.452 4.753 20 0 JJADRN Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1Br ZINC001459796858 1067427696 /nfs/dbraw/zinc/42/76/96/1067427696.db2.gz MHGFQKQWQMPVAA-UHFFFAOYSA-N 0 0 456.306 4.537 20 0 JJADRN C[C@H](O)[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001459799535 1067429175 /nfs/dbraw/zinc/42/91/75/1067429175.db2.gz UAYWYJHQSWTVEU-GHTZIAJQSA-N 0 0 453.583 4.575 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC001459802458 1067430312 /nfs/dbraw/zinc/43/03/12/1067430312.db2.gz WFCRALHUGOFSSD-UHFFFAOYSA-N 0 0 452.473 4.545 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)CC2=O)ccc1Br ZINC001459805441 1067431166 /nfs/dbraw/zinc/43/11/66/1067431166.db2.gz OLEZRCXCQHPWCQ-ZHALLVOQSA-N 0 0 459.359 4.702 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1ccc(C(C)(C)C)cn1 ZINC001459805836 1067431227 /nfs/dbraw/zinc/43/12/27/1067431227.db2.gz VVUQMIGNKORJON-UHFFFAOYSA-N 0 0 458.514 4.541 20 0 JJADRN Cc1cc(SCC(=O)OCc2ccc(N3CCOCC3)cc2)c(C)cc1Br ZINC001459805486 1067431257 /nfs/dbraw/zinc/43/12/57/1067431257.db2.gz QMKQFYJDKLLCHV-UHFFFAOYSA-N 0 0 450.398 4.738 20 0 JJADRN O=C(OCc1ccc(N2CCOCC2)cc1)c1cnc(-c2ccccc2Br)s1 ZINC001459806327 1067431288 /nfs/dbraw/zinc/43/12/88/1067431288.db2.gz UIBMZOOZAXDIOM-UHFFFAOYSA-N 0 0 459.365 4.766 20 0 JJADRN COc1ccc(C[C@@](C)(NC(C)=O)C(=O)O[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC001459806639 1067431536 /nfs/dbraw/zinc/43/15/36/1067431536.db2.gz XIVFKOFJGXCMFT-WHEQGISXSA-N 0 0 454.350 4.752 20 0 JJADRN CN(C(=O)Cc1cc2c(cc1Br)OCCO2)c1nc2c(cccc2Cl)s1 ZINC001459808538 1067432330 /nfs/dbraw/zinc/43/23/30/1067432330.db2.gz ALCKAIZVEKFLEZ-UHFFFAOYSA-N 0 0 453.745 4.689 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CC(C)(C)Oc4ccccc43)cc2)cc1 ZINC001459810932 1067433284 /nfs/dbraw/zinc/43/32/84/1067433284.db2.gz WXNZDJOKYXSWHA-UHFFFAOYSA-N 0 0 459.546 4.954 20 0 JJADRN COc1cc([C@H](NCC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C(F)(F)F)cc(OC)c1OC ZINC001459815783 1067435320 /nfs/dbraw/zinc/43/53/20/1067435320.db2.gz AOSLWSISEQXFKC-SRBZOADZSA-N 0 0 457.411 4.843 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2cccs2)C1 ZINC001546112082 1067438238 /nfs/dbraw/zinc/43/82/38/1067438238.db2.gz CCWRNMHHQANXQE-UHFFFAOYSA-N 0 0 467.639 4.674 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC001459821156 1067438761 /nfs/dbraw/zinc/43/87/61/1067438761.db2.gz PNEDEICSFZTPTA-UHFFFAOYSA-N 0 0 458.562 4.966 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 ZINC001546112105 1067439217 /nfs/dbraw/zinc/43/92/17/1067439217.db2.gz CXDZYQVKIFWVPA-ACRUOGEOSA-N 0 0 493.693 4.522 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1 ZINC001459823039 1067439610 /nfs/dbraw/zinc/43/96/10/1067439610.db2.gz SCHRMDPRGOVQPU-UHFFFAOYSA-N 0 0 452.595 4.782 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001546112111 1067439738 /nfs/dbraw/zinc/43/97/38/1067439738.db2.gz CZXHJYWKJBQACD-FPOVZHCZSA-N 0 0 474.671 4.647 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(SCc3csc(C)n3)cc2)s1 ZINC001459824386 1067440888 /nfs/dbraw/zinc/44/08/88/1067440888.db2.gz JWXWKLCHNNUVRD-UHFFFAOYSA-N 0 0 452.648 4.529 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CCC1 ZINC001459828626 1067442257 /nfs/dbraw/zinc/44/22/57/1067442257.db2.gz PGIATECNGHNSNG-INIZCTEOSA-N 0 0 456.414 4.916 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)[C@H](C)n2cccn2)CCC3)c(Br)c1 ZINC001459829069 1067442509 /nfs/dbraw/zinc/44/25/09/1067442509.db2.gz JZDPQTIYFDEFRX-ZDUSSCGKSA-N 0 0 458.381 4.935 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)[C@@H](C)n2cccn2)CCC3)c(Br)c1 ZINC001459829062 1067442638 /nfs/dbraw/zinc/44/26/38/1067442638.db2.gz JZDPQTIYFDEFRX-CYBMUJFWSA-N 0 0 458.381 4.935 20 0 JJADRN CN(C)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cc1 ZINC001459830596 1067443637 /nfs/dbraw/zinc/44/36/37/1067443637.db2.gz BNTMRWAEGGFBGL-UHFFFAOYSA-N 0 0 455.356 4.585 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(Br)c(C)c2)ccc1C ZINC001459831496 1067444362 /nfs/dbraw/zinc/44/43/62/1067444362.db2.gz HFQHCXSZOKDXQY-UHFFFAOYSA-N 0 0 453.402 4.657 20 0 JJADRN Cc1cc(C)cc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)c1 ZINC001459840109 1067448051 /nfs/dbraw/zinc/44/80/51/1067448051.db2.gz HCLWXHVACZMKCH-FQEVSTJZSA-N 0 0 457.412 4.885 20 0 JJADRN COc1ccc(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)cc1S(=O)(=O)NC(C)(C)C ZINC001459840122 1067448159 /nfs/dbraw/zinc/44/81/59/1067448159.db2.gz HJLWMZUVHXKAFA-UHFFFAOYSA-N 0 0 456.564 4.901 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)c1C ZINC001459843080 1067450037 /nfs/dbraw/zinc/45/00/37/1067450037.db2.gz CSMKQEGABQIVJJ-UHFFFAOYSA-N 0 0 450.329 4.937 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC001459844968 1067451182 /nfs/dbraw/zinc/45/11/82/1067451182.db2.gz WXTVTXIRUNFHTK-AWEZNQCLSA-N 0 0 454.311 4.702 20 0 JJADRN O=C(Nc1cccc(Cl)c1Br)c1ccc(Br)cc1-n1cncn1 ZINC001459844678 1067451185 /nfs/dbraw/zinc/45/11/85/1067451185.db2.gz LCRBSNSSWXYYQN-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(Cl)c1Br ZINC001459845518 1067451342 /nfs/dbraw/zinc/45/13/42/1067451342.db2.gz PPJAQBIVNLWQAR-UHFFFAOYSA-N 0 0 450.745 4.993 20 0 JJADRN O=C(Nc1cccc(Cl)c1Br)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459846081 1067452055 /nfs/dbraw/zinc/45/20/55/1067452055.db2.gz SMPXOVMVMCDDCI-ABAIWWIYSA-N 0 0 460.553 4.976 20 0 JJADRN Cc1ccc(NC(=O)CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC001459847264 1067452480 /nfs/dbraw/zinc/45/24/80/1067452480.db2.gz NGVOTWWBKFHYLV-LJQANCHMSA-N 0 0 453.892 4.559 20 0 JJADRN Cc1ccsc1CNC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459847595 1067453030 /nfs/dbraw/zinc/45/30/30/1067453030.db2.gz DJVGWBVEGWOEJK-NRFANRHFSA-N 0 0 453.608 4.682 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)c(F)c2)c(F)c1 ZINC001459848697 1067454063 /nfs/dbraw/zinc/45/40/63/1067454063.db2.gz FMGDSMVFCCRAQV-XMMPIXPASA-N 0 0 450.485 4.514 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)N(Cc3cccc(Br)c3)CC3CC3)cn2)C[C@H](C)O1 ZINC001459848554 1067454116 /nfs/dbraw/zinc/45/41/16/1067454116.db2.gz DHDLYBPVCGFOHM-IRXDYDNUSA-N 0 0 458.400 4.510 20 0 JJADRN O=C(NC1(C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1)OCc1ccccc1 ZINC001459848765 1067454177 /nfs/dbraw/zinc/45/41/77/1067454177.db2.gz GILVFFQPBWJVMZ-UHFFFAOYSA-N 0 0 457.368 4.647 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN[C@@H](C)c3ccccc3OC(C)C)n2)c1 ZINC001459849730 1067454601 /nfs/dbraw/zinc/45/46/01/1067454601.db2.gz XUIVKEUCPWYKMY-INIZCTEOSA-N 0 0 455.580 4.904 20 0 JJADRN COC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)c1Br ZINC001459853402 1067457768 /nfs/dbraw/zinc/45/77/68/1067457768.db2.gz VMQFBFAACLHYDO-NSHDSACASA-N 0 0 455.146 4.816 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1c(F)cccc1F)c1ccc2ccccc2c1 ZINC001459853162 1067457836 /nfs/dbraw/zinc/45/78/36/1067457836.db2.gz SXLNISJOHPAZON-NRFANRHFSA-N 0 0 455.505 4.912 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)N(C1CC1)C1CCCC1)c1ccc2ccccc2c1 ZINC001459853726 1067458350 /nfs/dbraw/zinc/45/83/50/1067458350.db2.gz WOSMIHWCPDADRN-XMMPIXPASA-N 0 0 451.611 4.929 20 0 JJADRN CCCc1c(C(=O)Nc2cccc(C(=O)OC)c2Br)cnn1-c1ccc(C)cc1 ZINC001459854342 1067458763 /nfs/dbraw/zinc/45/87/63/1067458763.db2.gz YYXKBGCREGBRCE-UHFFFAOYSA-N 0 0 456.340 4.935 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)C1 ZINC001546112282 1067458786 /nfs/dbraw/zinc/45/87/86/1067458786.db2.gz KVNNTZCPSQCKIM-BGYRXZFFSA-N 0 0 469.630 4.819 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)o1 ZINC001459861398 1067461414 /nfs/dbraw/zinc/46/14/14/1067461414.db2.gz RTRVMWLFTOJUPX-DLBZAZTESA-N 0 0 452.555 4.728 20 0 JJADRN Cc1cc([C@H](OC(=O)c2ccc(Cn3ccnn3)cc2)C(F)(F)F)ccc1Br ZINC001459861273 1067461440 /nfs/dbraw/zinc/46/14/40/1067461440.db2.gz AQEVEEGVXUBJLJ-KRWDZBQOSA-N 0 0 454.246 4.858 20 0 JJADRN COc1cc(F)c([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860496 1067461474 /nfs/dbraw/zinc/46/14/74/1067461474.db2.gz XYDJFORYSDEKIY-IRXDYDNUSA-N 0 0 450.510 4.752 20 0 JJADRN CCn1c2cccc(F)c2nc1CN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459863899 1067462448 /nfs/dbraw/zinc/46/24/48/1067462448.db2.gz DSOAGCUIYYSZEQ-UHFFFAOYSA-N 0 0 451.464 4.664 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459863113 1067462543 /nfs/dbraw/zinc/46/25/43/1067462543.db2.gz PACDZLHSASNJGW-JENIJYKNSA-N 0 0 458.628 4.681 20 0 JJADRN CC(=O)N1c2ccccc2C[C@H]1C(=O)O[C@H](c1ccc(Br)c(C)c1)C(F)(F)F ZINC001459864371 1067463017 /nfs/dbraw/zinc/46/30/17/1067463017.db2.gz OKUOQNJKSHUTNG-ZWKOTPCHSA-N 0 0 456.258 4.882 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 ZINC001546112352 1067463029 /nfs/dbraw/zinc/46/30/29/1067463029.db2.gz ODXYJUICWCYJMO-GOSISDBHSA-N 0 0 451.036 4.656 20 0 JJADRN COc1ccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)c(I)c1 ZINC001459865034 1067463656 /nfs/dbraw/zinc/46/36/56/1067463656.db2.gz ARJFQCNVIBVKMY-UHFFFAOYSA-N 0 0 453.610 4.720 20 0 JJADRN COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)nc1I ZINC001459866615 1067464011 /nfs/dbraw/zinc/46/40/11/1067464011.db2.gz BXWUOEYXOCNZCE-CQSZACIVSA-N 0 0 458.727 4.518 20 0 JJADRN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2cscc2Br)CC1 ZINC001459866078 1067464079 /nfs/dbraw/zinc/46/40/79/1067464079.db2.gz OHVHIPADVXDCOG-UHFFFAOYSA-N 0 0 450.320 4.979 20 0 JJADRN Cc1cc(C2(C(=O)Oc3ccc4c(c3)n(C)c(=O)n4C)CCCCC2)ccc1Br ZINC001459868509 1067465335 /nfs/dbraw/zinc/46/53/35/1067465335.db2.gz XXVPGILVXGTTBD-UHFFFAOYSA-N 0 0 457.368 4.755 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CCCC1 ZINC001459868597 1067465342 /nfs/dbraw/zinc/46/53/42/1067465342.db2.gz JPBWEBCANFDIFF-UHFFFAOYSA-N 0 0 456.391 4.660 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001459872437 1067467815 /nfs/dbraw/zinc/46/78/15/1067467815.db2.gz BIAIQZDBIPABSS-LZJOCLMNSA-N 0 0 457.546 4.564 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001459872310 1067467854 /nfs/dbraw/zinc/46/78/54/1067467854.db2.gz RBEUKOGABXTWNA-LJQANCHMSA-N 0 0 452.580 4.684 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)NC(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001459873170 1067468349 /nfs/dbraw/zinc/46/83/49/1067468349.db2.gz VUNANLLCLMUHGN-INIZCTEOSA-N 0 0 453.370 4.617 20 0 JJADRN Cc1nc2cc(C(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)ccc2n1Cc1ccsc1 ZINC001459873157 1067468391 /nfs/dbraw/zinc/46/83/91/1067468391.db2.gz VTJRJLYODWDOGN-HXUWFJFHSA-N 0 0 454.596 4.584 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N1CCC=C(c2ccncc2)C1 ZINC001459885049 1067472646 /nfs/dbraw/zinc/47/26/46/1067472646.db2.gz WEAABTMUOGUXND-UHFFFAOYSA-N 0 0 456.203 4.917 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001546112490 1067472712 /nfs/dbraw/zinc/47/27/12/1067472712.db2.gz UBRONDOKWSYJJW-QGZVFWFLSA-N 0 0 483.103 4.675 20 0 JJADRN CCS(=O)(=O)c1ccc2oc(CN[C@H](COCc3ccccc3)c3ccccc3)nc2c1 ZINC001459885568 1067473034 /nfs/dbraw/zinc/47/30/34/1067473034.db2.gz RVDITRYMQODYDL-HSZRJFAPSA-N 0 0 450.560 4.669 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1=O ZINC001459887900 1067473647 /nfs/dbraw/zinc/47/36/47/1067473647.db2.gz NMEZIMGOPWRPGE-RTWAWAEBSA-N 0 0 455.396 4.871 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Nc1cc(F)c(F)cc1N1CCOCC1)ccc2Br ZINC001459887328 1067473674 /nfs/dbraw/zinc/47/36/74/1067473674.db2.gz JSQFWPHFRBOCEC-UHFFFAOYSA-N 0 0 451.267 4.871 20 0 JJADRN CCOC(=O)CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H](C)c1ccccc1 ZINC001459888345 1067474170 /nfs/dbraw/zinc/47/41/70/1067474170.db2.gz FWOSVEIUSKPMKH-HXUWFJFHSA-N 0 0 459.546 4.504 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)CC(F)(F)C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC001459888327 1067474211 /nfs/dbraw/zinc/47/42/11/1067474211.db2.gz YUXZLOOKDBBSKN-MNOVXSKESA-N 0 0 456.477 4.506 20 0 JJADRN CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889805 1067474623 /nfs/dbraw/zinc/47/46/23/1067474623.db2.gz IJMPZJYUMAUXCW-UZLBHIALSA-N 0 0 459.612 4.722 20 0 JJADRN CCOC(=O)CN(CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC001459891625 1067475648 /nfs/dbraw/zinc/47/56/48/1067475648.db2.gz OAEQSYRZPRXAJF-PXDATVDWSA-N 0 0 452.595 4.765 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)CC2c3ccccc3Oc3ccccc32)s1 ZINC001459892816 1067476307 /nfs/dbraw/zinc/47/63/07/1067476307.db2.gz BJJCCXFALBCSMQ-CABCVRRESA-N 0 0 450.564 4.508 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)s1 ZINC001459893838 1067476732 /nfs/dbraw/zinc/47/67/32/1067476732.db2.gz DYSLTGXXPMRQJP-VXGBXAGGSA-N 0 0 457.987 4.573 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)s1 ZINC001459895980 1067477674 /nfs/dbraw/zinc/47/76/74/1067477674.db2.gz KUDIRUUSSXVOAD-ZIAGYGMSSA-N 0 0 458.971 4.939 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc(Oc3ccccc3Cl)cc2)s1 ZINC001459895976 1067477716 /nfs/dbraw/zinc/47/77/16/1067477716.db2.gz KUDIRUUSSXVOAD-KGLIPLIRSA-N 0 0 458.971 4.939 20 0 JJADRN O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001459895730 1067477719 /nfs/dbraw/zinc/47/77/19/1067477719.db2.gz RQMGBKBQWLGXFA-UHFFFAOYSA-N 0 0 453.367 4.728 20 0 JJADRN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC001459901064 1067480323 /nfs/dbraw/zinc/48/03/23/1067480323.db2.gz FMWZLHCVZIPBNA-KRWDZBQOSA-N 0 0 450.608 4.660 20 0 JJADRN Cc1cc(I)cc(NC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001459901353 1067480355 /nfs/dbraw/zinc/48/03/55/1067480355.db2.gz KZHBUWOLLVDDKU-VURMDHGXSA-N 0 0 453.276 4.800 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C(=O)c2ccc(Cl)s2)C1 ZINC001459902732 1067480784 /nfs/dbraw/zinc/48/07/84/1067480784.db2.gz RZELWTUARDTLHH-CQSZACIVSA-N 0 0 455.805 4.749 20 0 JJADRN CCN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001459903632 1067481377 /nfs/dbraw/zinc/48/13/77/1067481377.db2.gz BKQKWWQPETVUFU-NRFANRHFSA-N 0 0 457.615 4.925 20 0 JJADRN CCN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001459903638 1067481508 /nfs/dbraw/zinc/48/15/08/1067481508.db2.gz BKQKWWQPETVUFU-OAQYLSRUSA-N 0 0 457.615 4.925 20 0 JJADRN Cc1noc([C@H](C)NCC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)n1 ZINC001459904020 1067481924 /nfs/dbraw/zinc/48/19/24/1067481924.db2.gz MWUYIQBWAZFOMW-KRWDZBQOSA-N 0 0 458.566 4.818 20 0 JJADRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001459908005 1067484135 /nfs/dbraw/zinc/48/41/35/1067484135.db2.gz GOLWVRQQIGPBTB-XDHOZWIPSA-N 0 0 457.958 4.830 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001459911039 1067486211 /nfs/dbraw/zinc/48/62/11/1067486211.db2.gz FIXZYVXODPMAKD-HZPDHXFCSA-N 0 0 455.393 4.512 20 0 JJADRN COc1ccc(N=c2scc(CN[C@@H](C)c3nnc(C)s3)n2Cc2ccccc2)cc1 ZINC001459912069 1067486786 /nfs/dbraw/zinc/48/67/86/1067486786.db2.gz YGZNFUBMYQJUHF-INIZCTEOSA-N 0 0 451.621 4.850 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 ZINC001459913172 1067487314 /nfs/dbraw/zinc/48/73/14/1067487314.db2.gz UIJPEEKTBZLJSX-GOSISDBHSA-N 0 0 456.395 4.767 20 0 JJADRN CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1Br ZINC001459915153 1067488282 /nfs/dbraw/zinc/48/82/82/1067488282.db2.gz VODDZKCJKJVLSI-SNVBAGLBSA-N 0 0 450.383 4.538 20 0 JJADRN CCCN(CC(=O)OC(C)(C)C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001459915412 1067488326 /nfs/dbraw/zinc/48/83/26/1067488326.db2.gz FGOZUFXAJVHYOH-FQEVSTJZSA-N 0 0 459.974 4.664 20 0 JJADRN COc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)c1C ZINC001459914380 1067488329 /nfs/dbraw/zinc/48/83/29/1067488329.db2.gz OMKJRBROXZLWIU-UHFFFAOYSA-N 0 0 450.988 4.701 20 0 JJADRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001459915540 1067488859 /nfs/dbraw/zinc/48/88/59/1067488859.db2.gz XVZPIMNSZICEIN-IBGZPJMESA-N 0 0 453.988 4.537 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001459917725 1067489911 /nfs/dbraw/zinc/48/99/11/1067489911.db2.gz FXZXNRHOUJYQTP-UWJYYQICSA-N 0 0 459.587 4.741 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)ccc1F ZINC001459919890 1067491324 /nfs/dbraw/zinc/49/13/24/1067491324.db2.gz OZXAFEUSVYGNDZ-UHFFFAOYSA-N 0 0 455.964 4.680 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)nn1-c1cccc(Cl)c1 ZINC001459919769 1067491331 /nfs/dbraw/zinc/49/13/31/1067491331.db2.gz MFWUEEPWNZCAHD-LAUBAEHRSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459921013 1067491679 /nfs/dbraw/zinc/49/16/79/1067491679.db2.gz MXFWVYKLHYJFER-MJGOQNOKSA-N 0 0 458.990 4.697 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001459921006 1067491698 /nfs/dbraw/zinc/49/16/98/1067491698.db2.gz MXFWVYKLHYJFER-HKUYNNGSSA-N 0 0 458.990 4.697 20 0 JJADRN O=C(OC[C@H]1CCCCN1C(=O)c1ccc2scc(Br)c2c1)N1CCCC1 ZINC001459921103 1067491774 /nfs/dbraw/zinc/49/17/74/1067491774.db2.gz OSCPPVIMVPBDIK-OAHLLOKOSA-N 0 0 451.386 4.891 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC001459921228 1067491837 /nfs/dbraw/zinc/49/18/37/1067491837.db2.gz NLKYWLYFPWUSTA-ZBFHGGJFSA-N 0 0 457.796 4.966 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC001459921327 1067492268 /nfs/dbraw/zinc/49/22/68/1067492268.db2.gz NWCWZOQORRQOLV-JXFKEZNVSA-N 0 0 450.398 4.613 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC001459921424 1067492300 /nfs/dbraw/zinc/49/23/00/1067492300.db2.gz PUKVKPQWMWLARS-DEOSSOPVSA-N 0 0 453.583 4.645 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC001459921425 1067492344 /nfs/dbraw/zinc/49/23/44/1067492344.db2.gz PUKVKPQWMWLARS-XMMPIXPASA-N 0 0 453.583 4.645 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC001459922347 1067492813 /nfs/dbraw/zinc/49/28/13/1067492813.db2.gz POQSHUMHLASWEI-QUCCMNQESA-N 0 0 458.530 4.861 20 0 JJADRN Cc1ccc(C2=NO[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4Cl)CC3)C2)cc1 ZINC001459930662 1067496095 /nfs/dbraw/zinc/49/60/95/1067496095.db2.gz GNZPFNIZWNXYQS-HXUWFJFHSA-N 0 0 451.876 4.509 20 0 JJADRN Cn1cc([C@@H](NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)cn1 ZINC001459934277 1067497935 /nfs/dbraw/zinc/49/79/35/1067497935.db2.gz QSIZHBWDYXZYQS-IBGZPJMESA-N 0 0 456.390 4.775 20 0 JJADRN O=C(COc1ccc(F)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459933873 1067498102 /nfs/dbraw/zinc/49/81/02/1067498102.db2.gz PYOWMAKLVZKOKV-UHFFFAOYSA-N 0 0 451.247 4.879 20 0 JJADRN Fc1ccc(-n2cnc3c2CCN(Cc2cc(Br)ccc2OC(F)F)C3)cc1 ZINC001459935409 1067498534 /nfs/dbraw/zinc/49/85/34/1067498534.db2.gz VOKLPHAQVSBSQP-UHFFFAOYSA-N 0 0 452.274 4.934 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccnc(OC(F)F)c1 ZINC001459936285 1067499112 /nfs/dbraw/zinc/49/91/12/1067499112.db2.gz OGCRTSKJHHYZJZ-LBPRGKRZSA-N 0 0 453.898 4.930 20 0 JJADRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1cc(=O)c2ccc(F)cc2o1 ZINC001459937328 1067499207 /nfs/dbraw/zinc/49/92/07/1067499207.db2.gz RBKFRHNJLGZAEN-UHFFFAOYSA-N 0 0 451.357 4.602 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1 ZINC001459938354 1067499517 /nfs/dbraw/zinc/49/95/17/1067499517.db2.gz VFCCQFLBWCSTCH-GFCCVEGCSA-N 0 0 453.442 4.656 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)cs2)cc1 ZINC001459940821 1067500181 /nfs/dbraw/zinc/50/01/81/1067500181.db2.gz MNFODOCWSRUSLH-IBGZPJMESA-N 0 0 457.596 4.826 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC001459944350 1067501370 /nfs/dbraw/zinc/50/13/70/1067501370.db2.gz ZEGNNJKHUPKGJF-UHOSZYNNSA-N 0 0 454.489 4.692 20 0 JJADRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001459945472 1067502289 /nfs/dbraw/zinc/50/22/89/1067502289.db2.gz GNWVPAPEHACTDA-HZMBPMFUSA-N 0 0 452.260 4.544 20 0 JJADRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001459947186 1067502529 /nfs/dbraw/zinc/50/25/29/1067502529.db2.gz MXHOQJPCIKHCHT-SCLBCKFNSA-N 0 0 458.274 4.820 20 0 JJADRN COCCC[C@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 ZINC001459947398 1067502597 /nfs/dbraw/zinc/50/25/97/1067502597.db2.gz UWCJXIZNWOHZJD-CQSZACIVSA-N 0 0 454.748 4.771 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC001459948799 1067503518 /nfs/dbraw/zinc/50/35/18/1067503518.db2.gz YYIMJXPZHRYPOP-YLJYHZDGSA-N 0 0 459.436 4.752 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC001459948771 1067503603 /nfs/dbraw/zinc/50/36/03/1067503603.db2.gz YYIMJXPZHRYPOP-FXAWDEMLSA-N 0 0 459.436 4.752 20 0 JJADRN O=C(NCC1(c2ccc(Br)s2)CCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001459950727 1067504215 /nfs/dbraw/zinc/50/42/15/1067504215.db2.gz KHUYQUQIQZCIKM-KRWDZBQOSA-N 0 0 450.398 4.920 20 0 JJADRN COc1ccccc1-c1nc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951376 1067504301 /nfs/dbraw/zinc/50/43/01/1067504301.db2.gz QCHZMQHZUGEYPF-REWPJTCUSA-N 0 0 457.933 4.983 20 0 JJADRN COc1ccc(Br)c(CN(C)[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC001459951005 1067504394 /nfs/dbraw/zinc/50/43/94/1067504394.db2.gz MKBHNUIWYMSSQW-SFHVURJKSA-N 0 0 457.290 4.714 20 0 JJADRN C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953687 1067505261 /nfs/dbraw/zinc/50/52/61/1067505261.db2.gz XLRGYCYFFHBVPI-UULLZXFKSA-N 0 0 458.425 4.502 20 0 JJADRN Cc1sc(NC(=O)CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954324 1067505985 /nfs/dbraw/zinc/50/59/85/1067505985.db2.gz YYQYQCKZECIONL-WIYYLYMNSA-N 0 0 451.995 4.745 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)/C(=C\c2ccc(OC)cc2)c2cccs2)cc1 ZINC001459956468 1067506263 /nfs/dbraw/zinc/50/62/63/1067506263.db2.gz FKJVIMQAUIHHNP-DBZAVIBRSA-N 0 0 455.601 4.968 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C)CC[C@@H]3c3ccccc3)CC2)c(C)c1 ZINC001459956310 1067506276 /nfs/dbraw/zinc/50/62/76/1067506276.db2.gz DJYAYFFHYVMSTQ-HYBUGGRVSA-N 0 0 454.636 4.704 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001459957193 1067506699 /nfs/dbraw/zinc/50/66/99/1067506699.db2.gz CIZRZVVMGKUERC-DCPHZVHLSA-N 0 0 457.368 4.883 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc3ccc(Br)cc3s2)cc1 ZINC001459960700 1067508336 /nfs/dbraw/zinc/50/83/36/1067508336.db2.gz OVNFPCLMSDEVNX-LBPRGKRZSA-N 0 0 452.395 4.948 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2sc(SC3CCCC3)nc2C)cc1 ZINC001459962274 1067509334 /nfs/dbraw/zinc/50/93/34/1067509334.db2.gz RVSBXKUHFIMHMM-AWEZNQCLSA-N 0 0 452.667 4.700 20 0 JJADRN O=C(CCN1CCO[C@H](c2ccc(F)c(Br)c2)C1)Nc1ccc(Cl)cc1F ZINC001459966379 1067510030 /nfs/dbraw/zinc/51/00/30/1067510030.db2.gz YTIGZWLQQOYSOQ-SFHVURJKSA-N 0 0 459.718 4.783 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCOCC1 ZINC001459970119 1067510667 /nfs/dbraw/zinc/51/06/67/1067510667.db2.gz WNJFDXSESAMNST-QGZVFWFLSA-N 0 0 451.007 4.789 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c2ccccc21 ZINC001459973532 1067511516 /nfs/dbraw/zinc/51/15/16/1067511516.db2.gz HJKXMXMZCAFBEB-LIRRHRJNSA-N 0 0 450.753 4.846 20 0 JJADRN CCc1c(C(=O)N2CCN(C)c3cc(Br)ccc32)cnn1-c1ccccc1Cl ZINC001459974310 1067511793 /nfs/dbraw/zinc/51/17/93/1067511793.db2.gz GPHQLBLSUCGQJR-UHFFFAOYSA-N 0 0 459.775 4.947 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(CC(F)(F)F)CC2)CC1 ZINC001459974183 1067511842 /nfs/dbraw/zinc/51/18/42/1067511842.db2.gz FLESHAVFICRPJR-UHFFFAOYSA-N 0 0 450.423 4.749 20 0 JJADRN COCc1c2ccccc2oc1C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001459975562 1067512184 /nfs/dbraw/zinc/51/21/84/1067512184.db2.gz KBVHEOZIYVBOGD-OAQYLSRUSA-N 0 0 450.535 4.844 20 0 JJADRN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N(Cc1ccccc1Cl)CC1CC1 ZINC001459976323 1067512601 /nfs/dbraw/zinc/51/26/01/1067512601.db2.gz JZUWSIDZLMMCML-UHFFFAOYSA-N 0 0 453.029 4.629 20 0 JJADRN O=C(Nc1cccc2cc(Br)cnc21)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459976967 1067512964 /nfs/dbraw/zinc/51/29/64/1067512964.db2.gz PRNLBCNEURJNPU-QAPCUYQASA-N 0 0 477.156 4.871 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459976848 1067512995 /nfs/dbraw/zinc/51/29/95/1067512995.db2.gz PFQZMXKRSPLUPE-OAHLLOKOSA-N 0 0 455.318 4.995 20 0 JJADRN CC(C)Cn1nc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c2ccccc2c1=O ZINC001459977546 1067513222 /nfs/dbraw/zinc/51/32/22/1067513222.db2.gz IATHLWGHMSQOJZ-QFIPXVFZSA-N 0 0 453.970 4.604 20 0 JJADRN CCCc1c(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)[nH]c(C)c1C(C)=O ZINC001459977451 1067513262 /nfs/dbraw/zinc/51/32/62/1067513262.db2.gz QUORLOQUEJFFKC-NRFANRHFSA-N 0 0 453.583 4.743 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001459977922 1067513553 /nfs/dbraw/zinc/51/35/53/1067513553.db2.gz KDSMQSSVBYQHKF-URXFXBBRSA-N 0 0 454.998 4.930 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982506 1067515160 /nfs/dbraw/zinc/51/51/60/1067515160.db2.gz FMAQZVLKRNAHSS-CVDCTZTESA-N 0 0 455.480 4.711 20 0 JJADRN COCCc1ccnc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 ZINC001459984238 1067515501 /nfs/dbraw/zinc/51/55/01/1067515501.db2.gz DVJYMTSRZXOSSC-UHFFFAOYSA-N 0 0 455.624 4.844 20 0 JJADRN CCC1(C(=O)Nc2cncc(Cl)c2Br)CCN(C(=O)c2ccccc2)CC1 ZINC001459983991 1067515681 /nfs/dbraw/zinc/51/56/81/1067515681.db2.gz BAXGDOAXWFIGLI-UHFFFAOYSA-N 0 0 450.764 4.769 20 0 JJADRN COCCc1ccnc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 ZINC001459988200 1067516734 /nfs/dbraw/zinc/51/67/34/1067516734.db2.gz WJDPABCOIRHJTD-UHFFFAOYSA-N 0 0 458.362 4.746 20 0 JJADRN COc1ccc2cc(C(=O)Nc3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cnc2c1 ZINC001459988984 1067516850 /nfs/dbraw/zinc/51/68/50/1067516850.db2.gz ITUACKOZEAENBN-UHFFFAOYSA-N 0 0 451.498 4.928 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CCn1ccnc1)C1CCSCC1 ZINC001459990082 1067517191 /nfs/dbraw/zinc/51/71/91/1067517191.db2.gz IYHKIPNAPQZEIF-BQYQJAHWSA-N 0 0 450.608 4.658 20 0 JJADRN O=C(Nc1nc2c(s1)CSCC2)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001459993205 1067518849 /nfs/dbraw/zinc/51/88/49/1067518849.db2.gz PULGADRGXSRNNC-LBPRGKRZSA-N 0 0 456.420 4.730 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N(CCn1ccnc1)C1CCSCC1 ZINC001459995014 1067519178 /nfs/dbraw/zinc/51/91/78/1067519178.db2.gz UYVBRGZEVIWFMW-UHFFFAOYSA-N 0 0 450.699 4.650 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2nc3c(s2)CSCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459994832 1067519246 /nfs/dbraw/zinc/51/92/46/1067519246.db2.gz RWNNIRZLRIGQGH-KPZWWZAWSA-N 0 0 453.992 4.662 20 0 JJADRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001459997664 1067519920 /nfs/dbraw/zinc/51/99/20/1067519920.db2.gz NWXVUTXWMJXKER-OAHLLOKOSA-N 0 0 456.033 4.975 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(F)cc1C ZINC001459996376 1067519970 /nfs/dbraw/zinc/51/99/70/1067519970.db2.gz ZWLHASQTEUUQJV-UHFFFAOYSA-N 0 0 459.477 4.571 20 0 JJADRN O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccc2c(Br)cnn2c1 ZINC001459998008 1067520193 /nfs/dbraw/zinc/52/01/93/1067520193.db2.gz REQVQZVNQSYCKT-QGZVFWFLSA-N 0 0 454.246 4.877 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CCC(O)(c4c(F)cccc4F)CC3)cc2)c1 ZINC001459997226 1067520204 /nfs/dbraw/zinc/52/02/04/1067520204.db2.gz ZPUUWARUUGOHHC-UHFFFAOYSA-N 0 0 452.501 4.988 20 0 JJADRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC(C)(C)c2ccc(Br)cc21 ZINC001460001251 1067521967 /nfs/dbraw/zinc/52/19/67/1067521967.db2.gz GBQLBOCWCUEQGF-AWEZNQCLSA-N 0 0 451.355 4.962 20 0 JJADRN C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC(C)(C)c2ccc(Br)cc21 ZINC001460001252 1067522061 /nfs/dbraw/zinc/52/20/61/1067522061.db2.gz GBQLBOCWCUEQGF-CQSZACIVSA-N 0 0 451.355 4.962 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccn2)c(Cl)cc1Cl ZINC001460002728 1067522387 /nfs/dbraw/zinc/52/23/87/1067522387.db2.gz PDLCIEWMAFTLHT-JTQLQIEISA-N 0 0 450.775 4.761 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2ccncc2Oc2ccccc2)cc(C(F)(F)F)c1 ZINC001460003865 1067522715 /nfs/dbraw/zinc/52/27/15/1067522715.db2.gz DEDLFGBKLWYWES-UHFFFAOYSA-N 0 0 451.422 4.653 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460004939 1067523139 /nfs/dbraw/zinc/52/31/39/1067523139.db2.gz IUEVZIVJQPFWTR-ZMYBRWDISA-N 0 0 450.519 4.630 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2ccc(Oc3cccnc3)cc2)cc(C(F)(F)F)c1 ZINC001460006341 1067523909 /nfs/dbraw/zinc/52/39/09/1067523909.db2.gz NPTFLAFWBTWOLH-UHFFFAOYSA-N 0 0 451.422 4.653 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(C(F)(F)F)c1 ZINC001460005536 1067524026 /nfs/dbraw/zinc/52/40/26/1067524026.db2.gz KSYMQPSYBWAUKO-DLBZAZTESA-N 0 0 477.298 4.718 20 0 JJADRN COC(=O)c1coc([C@H](C)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460006979 1067524190 /nfs/dbraw/zinc/52/41/90/1067524190.db2.gz ZXGNRHHOCRLGKZ-BONVTDFDSA-N 0 0 452.351 4.633 20 0 JJADRN COC(=O)c1coc([C@@H](C)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460006980 1067524339 /nfs/dbraw/zinc/52/43/39/1067524339.db2.gz ZXGNRHHOCRLGKZ-MEBBXXQBSA-N 0 0 452.351 4.633 20 0 JJADRN CS(=O)(=O)c1cc(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC001460006850 1067524442 /nfs/dbraw/zinc/52/44/42/1067524442.db2.gz NDSFMCLYYINTLZ-UHFFFAOYSA-N 0 0 459.795 4.711 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCN1CCCc2ccccc21 ZINC001460007532 1067524659 /nfs/dbraw/zinc/52/46/59/1067524659.db2.gz RWUPSJLJROIPAI-DEOSSOPVSA-N 0 0 451.611 4.742 20 0 JJADRN CC(C)(C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1F ZINC001460008253 1067525156 /nfs/dbraw/zinc/52/51/56/1067525156.db2.gz UIVSLMPIATYVSM-UHFFFAOYSA-N 0 0 452.853 4.922 20 0 JJADRN COc1cccc(CN(C)Cc2cc(-c3cnn(C)c3C)no2)c1OCc1ccccc1F ZINC001460008445 1067525210 /nfs/dbraw/zinc/52/52/10/1067525210.db2.gz VWINOIIPTSNIRF-UHFFFAOYSA-N 0 0 450.514 4.742 20 0 JJADRN CO[C@H]1CC[C@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001460008634 1067525310 /nfs/dbraw/zinc/52/53/10/1067525310.db2.gz KXNJRBSFGPHURP-SFTDATJTSA-N 0 0 455.352 4.955 20 0 JJADRN CCOC(=O)C1=C(CN(CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC001460009656 1067525576 /nfs/dbraw/zinc/52/55/76/1067525576.db2.gz VJCXHUBHLUALGM-JOCHJYFZSA-N 0 0 457.958 4.573 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)OCc2cn(-c3ccccc3Br)nn2)ccc1Cl ZINC001460009347 1067525615 /nfs/dbraw/zinc/52/56/15/1067525615.db2.gz YTESNLXALAJDJP-CYBMUJFWSA-N 0 0 450.720 4.502 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC3(CCOCC3)O2)[C@@H](c2ccccc2Cl)C1 ZINC001460010370 1067525928 /nfs/dbraw/zinc/52/59/28/1067525928.db2.gz GIPCYUQDWMCUDM-WIYYLYMNSA-N 0 0 451.007 4.662 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460010087 1067526041 /nfs/dbraw/zinc/52/60/41/1067526041.db2.gz ZIAWJOHPFRYZGV-NRFANRHFSA-N 0 0 450.377 4.841 20 0 JJADRN O=C(NC1(c2ccc(Cl)cc2)CCC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001460011685 1067526362 /nfs/dbraw/zinc/52/63/62/1067526362.db2.gz PVVTYLNGNLRHHC-INIZCTEOSA-N 0 0 450.888 4.903 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC001460011225 1067526372 /nfs/dbraw/zinc/52/63/72/1067526372.db2.gz NMKMXLGKTBKQHI-CYFREDJKSA-N 0 0 455.643 4.632 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001460011141 1067526395 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0 0 450.336 4.797 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3cnc4ccc(Cl)cc4c3)cc2)C1 ZINC001460017778 1067529304 /nfs/dbraw/zinc/52/93/04/1067529304.db2.gz IENMDUVJRRKOED-HOTGVXAUSA-N 0 0 458.967 4.774 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460017981 1067529778 /nfs/dbraw/zinc/52/97/78/1067529778.db2.gz IJEXMBLPCUDFKR-UHFFFAOYSA-N 0 0 457.502 4.980 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001460018947 1067530025 /nfs/dbraw/zinc/53/00/25/1067530025.db2.gz JEWBFEQKHCFSKH-UHFFFAOYSA-N 0 0 458.486 4.829 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccc(OCc2ccccc2)nc1 ZINC001460019124 1067530182 /nfs/dbraw/zinc/53/01/82/1067530182.db2.gz LFAGMPXIBBRISN-UHFFFAOYSA-N 0 0 455.486 4.617 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c(Cl)c1 ZINC001460019209 1067530197 /nfs/dbraw/zinc/53/01/97/1067530197.db2.gz TUWVSADWKCCWAS-QGZVFWFLSA-N 0 0 456.011 4.957 20 0 JJADRN 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ZINC001460084000 1067549832 /nfs/dbraw/zinc/54/98/32/1067549832.db2.gz LBBDDQUMTAXKLI-MAUKXSAKSA-N 0 0 456.892 4.872 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)CCN(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC001460087524 1067550835 /nfs/dbraw/zinc/55/08/35/1067550835.db2.gz BNIXIOHVCJTKTC-SANMLTNESA-N 0 0 451.632 4.994 20 0 JJADRN CC[C@](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088499 1067551317 /nfs/dbraw/zinc/55/13/17/1067551317.db2.gz DKJODAFGPYHDBA-LRTDBIEQSA-N 0 0 457.785 4.892 20 0 JJADRN COc1ccc(CN2CCN(C(=O)CN(CC(C)C)[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC001460088556 1067551433 /nfs/dbraw/zinc/55/14/33/1067551433.db2.gz JVDWESYJNAGOOE-NRFANRHFSA-N 0 0 458.046 4.712 20 0 JJADRN CN(C[C@@H]1C[C@H](F)CN1Cc1cc(Br)cc2cccnc21)C(=O)OC(C)(C)C ZINC001460092441 1067552226 /nfs/dbraw/zinc/55/22/26/1067552226.db2.gz DBKVNOXVHUTJLH-ROUUACIJSA-N 0 0 452.368 4.777 20 0 JJADRN Cc1ccc(F)c(COC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1 ZINC001460094007 1067553123 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4.540 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NCC3CCCCCC3)c2)cc1 ZINC001460103696 1067555952 /nfs/dbraw/zinc/55/59/52/1067555952.db2.gz FLJGHOMKJYDFAE-UHFFFAOYSA-N 0 0 458.624 4.919 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)CN1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460106576 1067556175 /nfs/dbraw/zinc/55/61/75/1067556175.db2.gz QVUCJMVYLMABKY-OAQYLSRUSA-N 0 0 450.023 4.944 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001460108184 1067556594 /nfs/dbraw/zinc/55/65/94/1067556594.db2.gz YOQDXDGJGCNFNG-JAXLGGSGSA-N 0 0 456.533 4.983 20 0 JJADRN NC(=O)CCN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCOc2ccccc21 ZINC001460110293 1067556897 /nfs/dbraw/zinc/55/68/97/1067556897.db2.gz IELOHUWUESIJSU-KJCUYJGMSA-N 0 0 452.860 4.514 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001460112811 1067557722 /nfs/dbraw/zinc/55/77/22/1067557722.db2.gz UWWPENCMRIMPEK-LBPRGKRZSA-N 0 0 450.764 4.770 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)cn1 ZINC001460112507 1067557729 /nfs/dbraw/zinc/55/77/29/1067557729.db2.gz QOAAAYHSKDEVOA-UHFFFAOYSA-N 0 0 450.466 4.785 20 0 JJADRN Cn1nnc2cc(C(=O)Nc3cc(Cl)ccc3Oc3cccc(Br)c3)cnc21 ZINC001460114243 1067558087 /nfs/dbraw/zinc/55/80/87/1067558087.db2.gz HRSANVOKZQSZTB-UHFFFAOYSA-N 0 0 458.703 4.824 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(Cc3cccc(Cl)c3)CC2)c1 ZINC001460115486 1067558330 /nfs/dbraw/zinc/55/83/30/1067558330.db2.gz YSAQMVBFPAXXRK-UHFFFAOYSA-N 0 0 455.407 4.575 20 0 JJADRN O=C(CCC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)NC(c1ccccc1)c1ccccc1 ZINC001460115977 1067558705 /nfs/dbraw/zinc/55/87/05/1067558705.db2.gz MMCRHKAZHLBCML-HXUWFJFHSA-N 0 0 452.476 4.893 20 0 JJADRN C[C@]1(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1(Cl)Cl ZINC001460117533 1067559050 /nfs/dbraw/zinc/55/90/50/1067559050.db2.gz CEKVQAWCQSYRBR-UGSOOPFHSA-N 0 0 452.209 4.936 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CCS1 ZINC001546113997 1067559060 /nfs/dbraw/zinc/55/90/60/1067559060.db2.gz ROFFZBDHXSUJFP-SBUREZEXSA-N 0 0 492.089 4.662 20 0 JJADRN Cn1nccc1[C@H]1C[C@H](NC(=O)c2sc3cc(Br)ccc3c2Cl)CCO1 ZINC001460121667 1067559309 /nfs/dbraw/zinc/55/93/09/1067559309.db2.gz IBAYIVNGMCMIFV-BXUZGUMPSA-N 0 0 454.777 4.701 20 0 JJADRN Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2sc3cc(Br)ccc3c2Cl)CCO1 ZINC001460121671 1067559424 /nfs/dbraw/zinc/55/94/24/1067559424.db2.gz IBAYIVNGMCMIFV-FZMZJTMJSA-N 0 0 454.777 4.701 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001460122786 1067559798 /nfs/dbraw/zinc/55/97/98/1067559798.db2.gz LRPHWCBLDYFHTR-RPLLZPRCSA-N 0 0 457.279 4.734 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CCS1 ZINC001546114031 1067559993 /nfs/dbraw/zinc/55/99/93/1067559993.db2.gz SMZFYDFMDZSLPA-LJQANCHMSA-N 0 0 492.661 4.601 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460128016 1067560388 /nfs/dbraw/zinc/56/03/88/1067560388.db2.gz ZWOORPHIIQSJCL-PBHICJAKSA-N 0 0 464.362 4.643 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001460126223 1067560455 /nfs/dbraw/zinc/56/04/55/1067560455.db2.gz BFZFOTPGOAKIID-HIFRSBDPSA-N 0 0 457.361 4.584 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2scnc2C(C)C)c1 ZINC001460126448 1067560620 /nfs/dbraw/zinc/56/06/20/1067560620.db2.gz RNSHODPGVQAAMD-UHFFFAOYSA-N 0 0 459.593 4.661 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN[C@H]3C[C@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128751 1067561008 /nfs/dbraw/zinc/56/10/08/1067561008.db2.gz YIAIUCGPUCNFIR-SFTDATJTSA-N 0 0 450.608 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3cn(-c4cccc(Cl)c4F)nn3)cc2C1 ZINC001460134984 1067561497 /nfs/dbraw/zinc/56/14/97/1067561497.db2.gz ZRCDZWLIQNYJME-UHFFFAOYSA-N 0 0 457.893 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)C3(OCc4ccccc4)CCOCC3)cc2C1 ZINC001460134869 1067561626 /nfs/dbraw/zinc/56/16/26/1067561626.db2.gz ZJCOUHBGKPRSDD-UHFFFAOYSA-N 0 0 452.551 4.642 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135173 1067562094 /nfs/dbraw/zinc/56/20/94/1067562094.db2.gz MPSVURDGCROPFU-ZCNNSNEGSA-N 0 0 453.530 4.972 20 0 JJADRN O=C1[C@@H](N2CCC(c3nc(C(F)(F)F)cs3)CC2)CCCN1Cc1ccc(F)cc1F ZINC001460137978 1067562690 /nfs/dbraw/zinc/56/26/90/1067562690.db2.gz CGXNNRJXZYSUTB-KRWDZBQOSA-N 0 0 459.484 4.811 20 0 JJADRN O=C1[C@H](N2CCC(c3nc(C(F)(F)F)cs3)CC2)CCCN1Cc1ccc(F)cc1F ZINC001460137979 1067562793 /nfs/dbraw/zinc/56/27/93/1067562793.db2.gz CGXNNRJXZYSUTB-QGZVFWFLSA-N 0 0 459.484 4.811 20 0 JJADRN CCSCc1ccc(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC001460143056 1067563565 /nfs/dbraw/zinc/56/35/65/1067563565.db2.gz BAOIHGDTLPNEJF-UHFFFAOYSA-N 0 0 456.427 4.895 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cc1OC ZINC001460144332 1067563888 /nfs/dbraw/zinc/56/38/88/1067563888.db2.gz SKCJBLFFJFEZBA-UHFFFAOYSA-N 0 0 457.958 4.519 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001460153403 1067565984 /nfs/dbraw/zinc/56/59/84/1067565984.db2.gz YXBLYCXPAOESAG-UHFFFAOYSA-N 0 0 455.602 4.650 20 0 JJADRN CS(=O)(=O)c1ccc(-c2nc(CN(Cc3ccccc3)C3(CO)CCCC3)cs2)cc1 ZINC001460158411 1067566834 /nfs/dbraw/zinc/56/68/34/1067566834.db2.gz OGUCJUWBNCVFTQ-UHFFFAOYSA-N 0 0 456.633 4.521 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001460160795 1067567635 /nfs/dbraw/zinc/56/76/35/1067567635.db2.gz SHJMASFIYFRNMA-FQEVSTJZSA-N 0 0 454.723 4.823 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001460164339 1067567936 /nfs/dbraw/zinc/56/79/36/1067567936.db2.gz NZBBGDGKTBXUIU-UYAOXDASSA-N 0 0 454.324 4.682 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(OC)c1 ZINC001460165103 1067568005 /nfs/dbraw/zinc/56/80/05/1067568005.db2.gz KTGQGIRPFTZNEL-MRXNPFEDSA-N 0 0 458.555 4.729 20 0 JJADRN COc1ccc([C@H](OC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C(F)(F)F)cc1 ZINC001460165932 1067568453 /nfs/dbraw/zinc/56/84/53/1067568453.db2.gz DXMDHRYTQLBJST-KRWDZBQOSA-N 0 0 454.426 4.695 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1ccc(C)cc1Br ZINC001460169834 1067569070 /nfs/dbraw/zinc/56/90/70/1067569070.db2.gz JASUGNRJZMZVIX-GOSISDBHSA-N 0 0 453.174 4.620 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1 ZINC001460170510 1067569844 /nfs/dbraw/zinc/56/98/44/1067569844.db2.gz XDLDBIHQZMTUNK-QGZVFWFLSA-N 0 0 455.505 4.516 20 0 JJADRN C[C@@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001460175287 1067570951 /nfs/dbraw/zinc/57/09/51/1067570951.db2.gz MKSACPZKJPXDKC-QWHCGFSZSA-N 0 0 450.377 4.896 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174853 1067571103 /nfs/dbraw/zinc/57/11/03/1067571103.db2.gz KGFJWJGOZDWYTC-MRXNPFEDSA-N 0 0 456.608 4.804 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001460175809 1067571395 /nfs/dbraw/zinc/57/13/95/1067571395.db2.gz CYVQBZDURKSJIR-XOBRGWDASA-N 0 0 453.327 4.542 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC001460179122 1067571791 /nfs/dbraw/zinc/57/17/91/1067571791.db2.gz HYLSWFZEZKEVLS-SFHVURJKSA-N 0 0 450.645 4.570 20 0 JJADRN O=C(CN1CC[C@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180598 1067572618 /nfs/dbraw/zinc/57/26/18/1067572618.db2.gz PCNORAGANLQACV-SFHVURJKSA-N 0 0 457.397 4.682 20 0 JJADRN Cc1csc([C@@H](NCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C(F)(F)F)n1 ZINC001460181345 1067572655 /nfs/dbraw/zinc/57/26/55/1067572655.db2.gz PSMHSFFQSVMIMG-GOSISDBHSA-N 0 0 452.527 4.666 20 0 JJADRN C[C@@H](NCc1ncc(-c2cccc(Br)c2)o1)c1ccc(N2CCCNC2=O)cc1 ZINC001460180764 1067572701 /nfs/dbraw/zinc/57/27/01/1067572701.db2.gz KGRHFNUCEQFTCN-OAHLLOKOSA-N 0 0 455.356 4.875 20 0 JJADRN OC[C@]1(Cc2ccccc2)CCCN(Cc2ccc(I)c(Cl)c2)C1 ZINC001460182529 1067573348 /nfs/dbraw/zinc/57/33/48/1067573348.db2.gz RODCJBYKECTLMJ-FQEVSTJZSA-N 0 0 455.767 4.762 20 0 JJADRN O=C(Oc1ccc(Cl)c(Br)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC001460185111 1067574155 /nfs/dbraw/zinc/57/41/55/1067574155.db2.gz BZKSDRYWSKXSGU-UHFFFAOYSA-N 0 0 455.713 4.889 20 0 JJADRN COCCCn1cc(C)c(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)n1 ZINC001460189914 1067574892 /nfs/dbraw/zinc/57/48/92/1067574892.db2.gz SXKOYZSCARNDHK-UHFFFAOYSA-N 0 0 451.914 4.851 20 0 JJADRN COCCCn1cc(C)c(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 ZINC001460190647 1067575341 /nfs/dbraw/zinc/57/53/41/1067575341.db2.gz YFHBGZWHBXCXFD-UHFFFAOYSA-N 0 0 457.987 4.902 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@@H]3CCO[C@@H](C(C)C)C3)cc2Br)no1 ZINC001460198317 1067577346 /nfs/dbraw/zinc/57/73/46/1067577346.db2.gz CNWHGAICAMIAHC-FOIQADDNSA-N 0 0 451.361 4.506 20 0 JJADRN O=C(CN1CCC[C@H]1c1ccc(Br)cn1)Nc1ccc(Br)cc1F ZINC001460200663 1067577880 /nfs/dbraw/zinc/57/78/80/1067577880.db2.gz ARTLLCYAFLAGOZ-INIZCTEOSA-N 0 0 457.141 4.521 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(Cc2csc(Br)c2)CC1 ZINC001460200600 1067577916 /nfs/dbraw/zinc/57/79/16/1067577916.db2.gz ZGTVRVZQQLZAMW-SJLPKXTDSA-N 0 0 459.450 4.795 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(Cc2csc(Br)c2)CC1 ZINC001460200598 1067577940 /nfs/dbraw/zinc/57/79/40/1067577940.db2.gz ZGTVRVZQQLZAMW-FUHWJXTLSA-N 0 0 459.450 4.795 20 0 JJADRN O=C(CN1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccc(Br)cc1F ZINC001460200664 1067577979 /nfs/dbraw/zinc/57/79/79/1067577979.db2.gz ARTLLCYAFLAGOZ-MRXNPFEDSA-N 0 0 457.141 4.521 20 0 JJADRN Cn1cc(Br)c(CNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 ZINC001460206595 1067578819 /nfs/dbraw/zinc/57/88/19/1067578819.db2.gz YNNIVIMDHXMTHB-UHFFFAOYSA-N 0 0 456.384 4.989 20 0 JJADRN CCc1ccc(N(CC2CC2)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC001460206728 1067578892 /nfs/dbraw/zinc/57/88/92/1067578892.db2.gz NZRZGCZSQPWQCR-PMACEKPBSA-N 0 0 454.636 4.972 20 0 JJADRN C[C@@H]1Cc2cc(C(=O)Nc3cc(F)c(SC(C)(C)C)c(F)c3)ccc2N1S(C)(=O)=O ZINC001460211853 1067580625 /nfs/dbraw/zinc/58/06/25/1067580625.db2.gz MLGKXDNIGLSDIP-GFCCVEGCSA-N 0 0 454.564 4.818 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2C)CCS1 ZINC001546114678 1067580744 /nfs/dbraw/zinc/58/07/44/1067580744.db2.gz BNJSUBMYHVVMAO-HSZRJFAPSA-N 0 0 464.701 4.849 20 0 JJADRN CCOC(=O)c1sc(NC(=O)COC2(C)CCC2)nc1-c1ccc(Br)cc1 ZINC001460213906 1067580948 /nfs/dbraw/zinc/58/09/48/1067580948.db2.gz ZJAICRRARPSHNQ-UHFFFAOYSA-N 0 0 453.358 4.647 20 0 JJADRN COc1cc(C(=O)NCc2ncc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 ZINC001460213374 1067581025 /nfs/dbraw/zinc/58/10/25/1067581025.db2.gz VUCONKXPWFKSLY-UHFFFAOYSA-N 0 0 451.832 4.666 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(F)c1 ZINC001460213884 1067581071 /nfs/dbraw/zinc/58/10/71/1067581071.db2.gz RHHXMOURJVCYJA-INIZCTEOSA-N 0 0 454.112 4.882 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)cc2)no1 ZINC001460216649 1067581502 /nfs/dbraw/zinc/58/15/02/1067581502.db2.gz STHAKQCOMYUESE-QGZVFWFLSA-N 0 0 456.340 4.603 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC=CO2)CCS1 ZINC001546114710 1067582143 /nfs/dbraw/zinc/58/21/43/1067582143.db2.gz CRMBBJPVYMEIBP-MRXNPFEDSA-N 0 0 466.449 4.840 20 0 JJADRN Cc1csc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)c1 ZINC001460219181 1067582387 /nfs/dbraw/zinc/58/23/87/1067582387.db2.gz AWZQEZUWXCTQBF-UHFFFAOYSA-N 0 0 456.543 4.991 20 0 JJADRN CC(C)(C)c1ccc(C2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC001460221577 1067583167 /nfs/dbraw/zinc/58/31/67/1067583167.db2.gz HSIYQPBRMVCWBP-UHFFFAOYSA-N 0 0 455.649 4.693 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCCCC2=O)CCS1 ZINC001546114815 1067583613 /nfs/dbraw/zinc/58/36/13/1067583613.db2.gz HQRMNEKNTOGHPC-UHFFFAOYSA-N 0 0 459.660 4.751 20 0 JJADRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1ccccc1[S@](=O)C(F)(F)F ZINC001460228351 1067584538 /nfs/dbraw/zinc/58/45/38/1067584538.db2.gz SDSCNBQYRDJHGK-NRRJATNASA-N 0 0 450.251 4.633 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)C1 ZINC001460229678 1067585081 /nfs/dbraw/zinc/58/50/81/1067585081.db2.gz FLSHNMCYOKWOBP-QHCPKHFHSA-N 0 0 451.007 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(Br)co2)C1 ZINC001460231237 1067585356 /nfs/dbraw/zinc/58/53/56/1067585356.db2.gz KAODYPTXLSFJQR-CRAIPNDOSA-N 0 0 481.362 4.952 20 0 JJADRN NC(=O)COc1cccc2c1CCCN2C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001460231941 1067585683 /nfs/dbraw/zinc/58/56/83/1067585683.db2.gz AOJAMZLCQLMJGM-UHFFFAOYSA-N 0 0 452.963 4.948 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N(C)CCCOC(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC001460234220 1067586492 /nfs/dbraw/zinc/58/64/92/1067586492.db2.gz IFZRGEKNLMERJM-ZEQKJWHPSA-N 0 0 452.595 4.761 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)Cn3c(=O)sc(C)c3-c3ccc(F)cc3)C2)cc1 ZINC001460240353 1067588640 /nfs/dbraw/zinc/58/86/40/1067588640.db2.gz LFAVMOBJBLKNDO-LJQANCHMSA-N 0 0 454.567 4.514 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@H](c2ccccc2)C1 ZINC001460241097 1067589111 /nfs/dbraw/zinc/58/91/11/1067589111.db2.gz PVIKJPBZFSVHJD-DEOSSOPVSA-N 0 0 454.636 4.590 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1)c1ccccc1 ZINC001460240339 1067589251 /nfs/dbraw/zinc/58/92/51/1067589251.db2.gz MRLWRFGRUPUOTN-GJYPPUQNSA-N 0 0 454.514 4.529 20 0 JJADRN CCOc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)c1 ZINC001460241560 1067589276 /nfs/dbraw/zinc/58/92/76/1067589276.db2.gz FCWLKZNPAUISOY-UHFFFAOYSA-N 0 0 451.832 4.864 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)n2)cc1C ZINC001460245375 1067590421 /nfs/dbraw/zinc/59/04/21/1067590421.db2.gz GPRMVVGERWQTBS-UHFFFAOYSA-N 0 0 458.628 4.697 20 0 JJADRN CN(C)C(=O)O[C@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 ZINC001460245644 1067590428 /nfs/dbraw/zinc/59/04/28/1067590428.db2.gz PEBLMHQKZNXKDO-FQEVSTJZSA-N 0 0 450.560 4.907 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001460247268 1067590681 /nfs/dbraw/zinc/59/06/81/1067590681.db2.gz IYFJVTAZAMLACQ-YJBOKZPZSA-N 0 0 451.323 4.700 20 0 JJADRN Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001460248113 1067590861 /nfs/dbraw/zinc/59/08/61/1067590861.db2.gz KGRBQFWXPFDXNC-HNNXBMFYSA-N 0 0 454.377 4.884 20 0 JJADRN CCOc1cccc(CN(CCO)Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1 ZINC001460249165 1067591136 /nfs/dbraw/zinc/59/11/36/1067591136.db2.gz RXGIKFSOGBAMNN-UHFFFAOYSA-N 0 0 453.608 4.838 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CCOC)CCS1 ZINC001546115082 1067592282 /nfs/dbraw/zinc/59/22/82/1067592282.db2.gz RAEJUJBUQUIENS-UHFFFAOYSA-N 0 0 494.727 4.523 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)CCS1 ZINC001546115089 1067592590 /nfs/dbraw/zinc/59/25/90/1067592590.db2.gz RFXULKKCSVLIJV-GOSISDBHSA-N 0 0 492.711 4.979 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)CCS1 ZINC001546115129 1067592995 /nfs/dbraw/zinc/59/29/95/1067592995.db2.gz TUEDVPLAGMAHHQ-FQEVSTJZSA-N 0 0 496.665 4.726 20 0 JJADRN COc1cc(-c2noc(CN3C[C@H](NC(=O)OC(C)(C)C)Cc4ccccc43)n2)ccc1C ZINC001460263498 1067593288 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ALXJPVPJFCJNIS-OAQYLSRUSA-N 0 0 452.457 4.608 20 0 JJADRN CCOC(=O)c1nc(NC(=O)Cc2cccc(Br)c2C)sc1C(F)(F)F ZINC001460282615 1067597920 /nfs/dbraw/zinc/59/79/20/1067597920.db2.gz LFRKLYQDMIDRSR-UHFFFAOYSA-N 0 0 451.264 4.591 20 0 JJADRN C[C@@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001460282297 1067597926 /nfs/dbraw/zinc/59/79/26/1067597926.db2.gz DWQLCSRTRHIIRZ-JPYJTQIMSA-N 0 0 455.624 4.755 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)sc1C(F)(F)F ZINC001460286485 1067598968 /nfs/dbraw/zinc/59/89/68/1067598968.db2.gz ZVVNUPDDISSKPP-UHFFFAOYSA-N 0 0 457.474 4.884 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1 ZINC001460287977 1067599351 /nfs/dbraw/zinc/59/93/51/1067599351.db2.gz ZPDKODAAJJGXFA-UHFFFAOYSA-N 0 0 450.866 4.520 20 0 JJADRN COc1cc(-c2nc(CN[C@H](CCO)c3cccc(OC(F)(F)F)c3)cs2)ccc1O ZINC001460288332 1067599579 /nfs/dbraw/zinc/59/95/79/1067599579.db2.gz BOCUEUKWTGWZLD-QGZVFWFLSA-N 0 0 454.470 4.636 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@]1(C)Cc1ccccc1F ZINC001460290566 1067599981 /nfs/dbraw/zinc/59/99/81/1067599981.db2.gz SFRUHMGMKJQUOA-JOCHJYFZSA-N 0 0 453.341 4.955 20 0 JJADRN COc1ccc(-c2nc(NC(=O)CN3CCC(C)(C(=O)OC(C)(C)C)CC3)sc2C)cc1 ZINC001460291711 1067600034 /nfs/dbraw/zinc/60/00/34/1067600034.db2.gz KOCCMXIAOHUHPF-UHFFFAOYSA-N 0 0 459.612 4.509 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001460294745 1067600581 /nfs/dbraw/zinc/60/05/81/1067600581.db2.gz GLITXWKXIWFYHK-YPAWHYETSA-N 0 0 451.611 4.938 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)cc1OC ZINC001460303225 1067602787 /nfs/dbraw/zinc/60/27/87/1067602787.db2.gz AMNDZLRRGYMQIM-UHFFFAOYSA-N 0 0 459.344 4.603 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C1CC1 ZINC001460303696 1067602858 /nfs/dbraw/zinc/60/28/58/1067602858.db2.gz PICRRYSAFWKWDZ-NRFANRHFSA-N 0 0 451.897 4.555 20 0 JJADRN O=C(C[C@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1)NCc1ccc(F)cc1 ZINC001460302989 1067602873 /nfs/dbraw/zinc/60/28/73/1067602873.db2.gz VMRIBZBBCAKJNQ-OAHLLOKOSA-N 0 0 455.318 4.785 20 0 JJADRN O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3ccc(F)cc3Br)cc21 ZINC001460306492 1067603757 /nfs/dbraw/zinc/60/37/57/1067603757.db2.gz CURKDYXMLZVKLN-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c(OC)c1 ZINC001460306464 1067603775 /nfs/dbraw/zinc/60/37/75/1067603775.db2.gz BSQHVISLSCOEAR-CLTKARDFSA-N 0 0 456.542 4.878 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)CN1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]1C(F)(F)F ZINC001460305851 1067603848 /nfs/dbraw/zinc/60/38/48/1067603848.db2.gz YFNNWIAVRDTXGU-KSSFIOAISA-N 0 0 463.928 4.755 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)OCc2cn(CC(F)(F)c3ccccc3)nn2)cc1 ZINC001460308465 1067604364 /nfs/dbraw/zinc/60/43/64/1067604364.db2.gz CRLSQVXHNWDYHW-UHFFFAOYSA-N 0 0 450.445 4.923 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309277 1067604715 /nfs/dbraw/zinc/60/47/15/1067604715.db2.gz WLXGAJKPIYQAIA-YADHBBJMSA-N 0 0 450.583 4.618 20 0 JJADRN O=C(Cc1c(F)ccc(Br)c1F)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC001460309264 1067604764 /nfs/dbraw/zinc/60/47/64/1067604764.db2.gz WJSQTQCJUIWIBZ-UHFFFAOYSA-N 0 0 458.306 4.866 20 0 JJADRN CN(C)c1cc(C(=O)Nc2cc(Cl)ccc2I)c2ccccc2n1 ZINC001460313039 1067605413 /nfs/dbraw/zinc/60/54/13/1067605413.db2.gz ROSRSCQVWOCJKK-UHFFFAOYSA-N 0 0 451.695 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC001460318560 1067606767 /nfs/dbraw/zinc/60/67/67/1067606767.db2.gz RMYAQTVBQAPBBI-YZGWKJHDSA-N 0 0 458.521 4.838 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(Br)c3)CC2=O)cc1 ZINC001460319944 1067607324 /nfs/dbraw/zinc/60/73/24/1067607324.db2.gz ABWUIWDDMLQKRI-GXTWGEPZSA-N 0 0 451.361 4.540 20 0 JJADRN COc1cc(CCNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC001460322569 1067607967 /nfs/dbraw/zinc/60/79/67/1067607967.db2.gz CPLYVCIELZCYRV-GOSISDBHSA-N 0 0 455.769 4.619 20 0 JJADRN C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(F)c(Br)c1 ZINC001460323220 1067608104 /nfs/dbraw/zinc/60/81/04/1067608104.db2.gz WNZVZIWMYYUILP-JVXZTZIISA-N 0 0 457.963 4.662 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1)[C@@H]1C[C@H]1C ZINC001460326078 1067608804 /nfs/dbraw/zinc/60/88/04/1067608804.db2.gz XFXJRZWGNZSWRZ-SPLOXXLWSA-N 0 0 453.340 4.648 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1)[C@H]1C[C@@H]1C ZINC001460326077 1067608864 /nfs/dbraw/zinc/60/88/64/1067608864.db2.gz XFXJRZWGNZSWRZ-QKKBWIMNSA-N 0 0 453.340 4.648 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCCN([C@@H](C)c4ccccc4F)C3=O)cs2)cc1 ZINC001460328409 1067609495 /nfs/dbraw/zinc/60/94/95/1067609495.db2.gz YPBZPJKHFXRNIY-JTSKRJEESA-N 0 0 451.567 4.669 20 0 JJADRN O=C(NC/C=C/c1ccc(Br)cc1)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001460335735 1067610940 /nfs/dbraw/zinc/61/09/40/1067610940.db2.gz ACQKBRFFFHAWII-ONEGZZNKSA-N 0 0 458.306 4.845 20 0 JJADRN O=C1[C@H](N2CCN(c3cc(Cl)ccc3Cl)CC2)CCN1c1ccccc1C(F)(F)F ZINC001460340255 1067611512 /nfs/dbraw/zinc/61/15/12/1067611512.db2.gz KDEXSVGPHHJCBL-GOSISDBHSA-N 0 0 458.311 4.940 20 0 JJADRN COc1ccc(CC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1OC(F)F ZINC001460341123 1067611938 /nfs/dbraw/zinc/61/19/38/1067611938.db2.gz BIQRHEUYPKRCNK-BFUOFWGJSA-N 0 0 459.411 4.847 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)NC/C=C/c1ccc(Br)cc1 ZINC001460342547 1067612402 /nfs/dbraw/zinc/61/24/02/1067612402.db2.gz OFXIPDIWCPODEZ-BQYQJAHWSA-N 0 0 450.421 4.771 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460342583 1067612439 /nfs/dbraw/zinc/61/24/39/1067612439.db2.gz NRDQCATYPNFBOH-HXUWFJFHSA-N 0 0 455.555 4.914 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)NC/C=C\c1ccc(Br)cc1 ZINC001460342554 1067612520 /nfs/dbraw/zinc/61/25/20/1067612520.db2.gz OFXIPDIWCPODEZ-FPLPWBNLSA-N 0 0 450.421 4.771 20 0 JJADRN Cc1c(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)nnn1CC1CCCC1 ZINC001460348186 1067613639 /nfs/dbraw/zinc/61/36/39/1067613639.db2.gz CIEORSTWARPARN-UHFFFAOYSA-N 0 0 451.796 4.654 20 0 JJADRN C=C1c2ccccc2C(=O)N1CCC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001460348758 1067614182 /nfs/dbraw/zinc/61/41/82/1067614182.db2.gz FYYRKPFIINBQEA-UHFFFAOYSA-N 0 0 459.771 4.767 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)OCc1cc2ccccc2s1 ZINC001460348297 1067614212 /nfs/dbraw/zinc/61/42/12/1067614212.db2.gz IBINDKCYIAMGGO-UHFFFAOYSA-N 0 0 453.379 4.961 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001460348634 1067614223 /nfs/dbraw/zinc/61/42/23/1067614223.db2.gz NMMBSJNMAUUPQB-FSROGBMZSA-N 0 0 454.533 4.715 20 0 JJADRN CNC(=O)Oc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 ZINC001460351496 1067615026 /nfs/dbraw/zinc/61/50/26/1067615026.db2.gz YGYKCGASVVKTBE-UHFFFAOYSA-N 0 0 454.533 4.856 20 0 JJADRN CC(C)C[C@H](C(=O)NCC(C)(C)c1ccc(Br)cc1Cl)N1CCCCC1=O ZINC001460351741 1067615064 /nfs/dbraw/zinc/61/50/64/1067615064.db2.gz SDDHWAWAHDGLSY-GOSISDBHSA-N 0 0 457.840 4.924 20 0 JJADRN Cc1cccc2c1N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@H]2C ZINC001460354925 1067615304 /nfs/dbraw/zinc/61/53/04/1067615304.db2.gz YHRYGHDEJFMLKO-HXUWFJFHSA-N 0 0 451.611 4.862 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@@H](C)c3cccc(C)c32)cc1OC ZINC001460354692 1067615377 /nfs/dbraw/zinc/61/53/77/1067615377.db2.gz VSGNNHFKYZBAJW-GFCCVEGCSA-N 0 0 451.304 4.771 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001460355148 1067615835 /nfs/dbraw/zinc/61/58/35/1067615835.db2.gz ASHPTWLDTINPIS-JOCHJYFZSA-N 0 0 456.560 4.571 20 0 JJADRN O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001460355959 1067616411 /nfs/dbraw/zinc/61/64/11/1067616411.db2.gz FGNAAEHOYVKWCH-HNNXBMFYSA-N 0 0 452.889 4.946 20 0 JJADRN O=C(CCN1CCOC[C@@H]1c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001460358585 1067617307 /nfs/dbraw/zinc/61/73/07/1067617307.db2.gz DWOLMNDHFFZNTC-GOSISDBHSA-N 0 0 457.290 4.870 20 0 JJADRN 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ZINC001460643406 1067683630 /nfs/dbraw/zinc/68/36/30/1067683630.db2.gz WTJWTEGYGUDGQV-UHFFFAOYSA-N 0 0 458.322 4.913 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CCS1 ZINC001546117894 1067683662 /nfs/dbraw/zinc/68/36/62/1067683662.db2.gz SASWJESURMSNOM-UHFFFAOYSA-N 0 0 456.635 4.519 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC001460644720 1067684030 /nfs/dbraw/zinc/68/40/30/1067684030.db2.gz NRHHONFSIMXPAE-ICGULJKJSA-N 0 0 470.635 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c2ccccc21 ZINC001460646915 1067684655 /nfs/dbraw/zinc/68/46/55/1067684655.db2.gz VQYGGPSQYJPWHA-NSYGIPOTSA-N 0 0 457.571 4.564 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc2c1COC2=O)c1cccc(C(F)(F)F)c1 ZINC001460648320 1067685635 /nfs/dbraw/zinc/68/56/35/1067685635.db2.gz AFNJHGLDAKLKDO-QGZVFWFLSA-N 0 0 450.413 4.580 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN3CCN(C(=O)OC(C)(C)C)CCC3(C)C)cs2)c1 ZINC001460649506 1067685813 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/nfs/dbraw/zinc/68/71/74/1067687174.db2.gz PRMPCEREWSDLCM-MOPGFXCFSA-N 0 0 457.977 4.576 20 0 JJADRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001460652366 1067687997 /nfs/dbraw/zinc/68/79/97/1067687997.db2.gz LDFXFVMVPALSGY-UHFFFAOYSA-N 0 0 450.579 4.792 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001460652267 1067688044 /nfs/dbraw/zinc/68/80/44/1067688044.db2.gz OWTYTURAHKNSQH-CABCVRRESA-N 0 0 453.892 4.648 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc(C(F)F)n1)CC(C)(C)O2 ZINC001460654363 1067688883 /nfs/dbraw/zinc/68/88/83/1067688883.db2.gz ZNXZYEADQQZGAC-INIZCTEOSA-N 0 0 450.486 4.586 20 0 JJADRN CN(C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001460655002 1067689260 /nfs/dbraw/zinc/68/92/60/1067689260.db2.gz XRTXMINDTQWPHI-CALCHBBNSA-N 0 0 453.530 4.840 20 0 JJADRN CC(C)OCc1nc([C@H](C)NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)no1 ZINC001460656798 1067690361 /nfs/dbraw/zinc/69/03/61/1067690361.db2.gz WAQSEGRRKLQIHZ-LBPRGKRZSA-N 0 0 454.474 4.557 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3(C)C)cc1 ZINC001460656012 1067690437 /nfs/dbraw/zinc/69/04/37/1067690437.db2.gz ZOIFPGWKPBMHPV-UHFFFAOYSA-N 0 0 455.605 4.834 20 0 JJADRN CCc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)NC(=O)OC(C)(C)C ZINC001460657405 1067690829 /nfs/dbraw/zinc/69/08/29/1067690829.db2.gz UHSRIDSMIFCVKI-FDDCHVKYSA-N 0 0 454.567 4.601 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460657551 1067690844 /nfs/dbraw/zinc/69/08/44/1067690844.db2.gz ZNCTZQSSTPPTJM-VOGRQWBCSA-N 0 0 453.377 4.885 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@H](CF)c2ccc(F)cc2)cc1 ZINC001460660768 1067691905 /nfs/dbraw/zinc/69/19/05/1067691905.db2.gz ZMSXTRBJTQLKBZ-JOCHJYFZSA-N 0 0 453.489 4.716 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001460666273 1067693538 /nfs/dbraw/zinc/69/35/38/1067693538.db2.gz HVFCOGQMTQLUJP-RBZFPXEDSA-N 0 0 454.439 4.599 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546118075 1067694051 /nfs/dbraw/zinc/69/40/51/1067694051.db2.gz WTOUGMJXXLNXGT-IBGZPJMESA-N 0 0 481.707 4.541 20 0 JJADRN Cc1sc2[nH]c(CN3CCCN(C(=O)CC(C)C)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC001460667215 1067694091 /nfs/dbraw/zinc/69/40/91/1067694091.db2.gz NRFPWRYMUHANMC-UHFFFAOYSA-N 0 0 452.624 4.761 20 0 JJADRN CC[C@@]1(CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460670771 1067694524 /nfs/dbraw/zinc/69/45/24/1067694524.db2.gz CFIGUHCJAIHAQV-MHZLTWQESA-N 0 0 452.595 4.704 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001460671788 1067695030 /nfs/dbraw/zinc/69/50/30/1067695030.db2.gz GXFSLTUJUOHHKK-UHFFFAOYSA-N 0 0 454.521 4.779 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CC)[C@H]3c3cccc(C)c3)sc2c1 ZINC001460672900 1067695560 /nfs/dbraw/zinc/69/55/60/1067695560.db2.gz GTHFCOWHTUEBRN-XXBNENTESA-N 0 0 450.608 4.999 20 0 JJADRN Cc1ccc(I)c(C(=O)NCc2ccncc2OCCC(C)(C)C)c1 ZINC001460672422 1067695592 /nfs/dbraw/zinc/69/55/92/1067695592.db2.gz JPZAWHVHPGZDED-UHFFFAOYSA-N 0 0 452.336 4.740 20 0 JJADRN CC[C@]1(CNC(=O)c2cc(Br)cc(Br)c2)OCCc2ccccc21 ZINC001460673318 1067696058 /nfs/dbraw/zinc/69/60/58/1067696058.db2.gz KQYKYBLQCAQLMI-LJQANCHMSA-N 0 0 453.174 4.820 20 0 JJADRN Cc1cc(C2CC2)nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 ZINC001460674303 1067696553 /nfs/dbraw/zinc/69/65/53/1067696553.db2.gz JFDNNIXHNRTOQX-QGZVFWFLSA-N 0 0 450.461 4.886 20 0 JJADRN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001460674799 1067696567 /nfs/dbraw/zinc/69/65/67/1067696567.db2.gz LAVHWPHNJFRUFK-IBGZPJMESA-N 0 0 458.559 4.722 20 0 JJADRN CC[C@]1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)OCCc2ccccc21 ZINC001460676291 1067697100 /nfs/dbraw/zinc/69/71/00/1067697100.db2.gz UFOFHNCHRLMHFZ-ISKFKSNPSA-N 0 0 457.412 4.580 20 0 JJADRN CC[C@]1(CNC(=O)c2ccc(Cl)c(I)c2)OCCc2ccccc21 ZINC001460677646 1067698063 /nfs/dbraw/zinc/69/80/63/1067698063.db2.gz ZUYYRAZPNOAZFB-LJQANCHMSA-N 0 0 455.723 4.553 20 0 JJADRN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460680687 1067699153 /nfs/dbraw/zinc/69/91/53/1067699153.db2.gz HUWAEZFWGBLTIO-QXAKKESOSA-N 0 0 454.489 4.739 20 0 JJADRN Cc1cc(NC(=O)/C=C/c2ccc(I)o2)c(F)cc1Br ZINC001460681195 1067699696 /nfs/dbraw/zinc/69/96/96/1067699696.db2.gz HSMSBFDZNNHZTP-HWKANZROSA-N 0 0 450.045 4.746 20 0 JJADRN COC[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1cccc(Cl)c1 ZINC001460680706 1067699728 /nfs/dbraw/zinc/69/97/28/1067699728.db2.gz KHYJWQSYXDJVKI-HNNXBMFYSA-N 0 0 450.103 4.716 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1cccc2ccccc21 ZINC001460681880 1067700136 /nfs/dbraw/zinc/70/01/36/1067700136.db2.gz VLWBQLVFDJBERT-PXDATVDWSA-N 0 0 458.558 4.620 20 0 JJADRN CN(C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460683489 1067700715 /nfs/dbraw/zinc/70/07/15/1067700715.db2.gz NTTKRXGVVRFPMT-AZSVPQILSA-N 0 0 450.579 4.740 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[C@H]1c1ccc(C)o1 ZINC001460683793 1067701102 /nfs/dbraw/zinc/70/11/02/1067701102.db2.gz PPMSAFINDYUTSF-RLBLXZPPSA-N 0 0 454.567 4.955 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460683791 1067701118 /nfs/dbraw/zinc/70/11/18/1067701118.db2.gz PPMSAFINDYUTSF-IRMYBRCSSA-N 0 0 454.567 4.955 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CN[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 ZINC001460685620 1067701491 /nfs/dbraw/zinc/70/14/91/1067701491.db2.gz RZICKIPMWCBXQJ-LJQANCHMSA-N 0 0 459.616 4.540 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460689796 1067702406 /nfs/dbraw/zinc/70/24/06/1067702406.db2.gz VLKKFVWZBLISFK-SFTDATJTSA-N 0 0 454.368 4.953 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C(F)(F)F ZINC001460691333 1067702860 /nfs/dbraw/zinc/70/28/60/1067702860.db2.gz NBLKZJVYVBXMMZ-JQWIXIFHSA-N 0 0 457.246 4.843 20 0 JJADRN O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N(CCCc1ccccc1)c1ccccc1 ZINC001460693766 1067703207 /nfs/dbraw/zinc/70/32/07/1067703207.db2.gz VYBLKMBLTWGLJD-UHFFFAOYSA-N 0 0 451.452 4.961 20 0 JJADRN CC[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 ZINC001460703505 1067704714 /nfs/dbraw/zinc/70/47/14/1067704714.db2.gz PTLAXJQHGSYVFN-HXUWFJFHSA-N 0 0 450.023 4.773 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CCN2CCCc3ccccc32)c1 ZINC001460704099 1067705324 /nfs/dbraw/zinc/70/53/24/1067705324.db2.gz BGVYPHFXEPJLPM-RUZDIDTESA-N 0 0 451.611 4.742 20 0 JJADRN CCOC(=O)c1sc2nc(CNC(C)(C)c3ccc(C(F)(F)F)cc3)nc(N)c2c1C ZINC001460705196 1067705467 /nfs/dbraw/zinc/70/54/67/1067705467.db2.gz YUYZHLAZAIXYBG-UHFFFAOYSA-N 0 0 452.502 4.802 20 0 JJADRN O=C(NCCC1CC(F)(F)C1)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001460707607 1067705776 /nfs/dbraw/zinc/70/57/76/1067705776.db2.gz TVXQHXRQTWHPRE-UHFFFAOYSA-N 0 0 453.272 4.959 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001460710010 1067706361 /nfs/dbraw/zinc/70/63/61/1067706361.db2.gz QETMFKFHLWDCJE-RUZDIDTESA-N 0 0 450.966 4.955 20 0 JJADRN Cc1cc(CN(CCNC(=O)OC(C)(C)C)CC(F)(F)F)nc(-c2ccc(Cl)cc2)n1 ZINC001460710555 1067706383 /nfs/dbraw/zinc/70/63/83/1067706383.db2.gz AJEHAYQMOHCPCF-UHFFFAOYSA-N 0 0 458.912 4.994 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 ZINC001460714415 1067707319 /nfs/dbraw/zinc/70/73/19/1067707319.db2.gz URGXDNYUCSIXFX-MRXNPFEDSA-N 0 0 453.608 4.500 20 0 JJADRN COC(=O)[C@]12CCC[C@H]1CN(Cc1csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n1)C2 ZINC001460716168 1067707869 /nfs/dbraw/zinc/70/78/69/1067707869.db2.gz FPIQCGHGJTUEKM-KKSFZXQISA-N 0 0 467.513 4.622 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Cl)cc1Br)C[C@H]1CCCS1(=O)=O ZINC001460718635 1067708996 /nfs/dbraw/zinc/70/89/96/1067708996.db2.gz ZWLDJIMNROOPTR-MRXNPFEDSA-N 0 0 458.805 4.904 20 0 JJADRN CN(CC(=O)N1CCOC(C)(C)C1)Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC001460718639 1067709057 /nfs/dbraw/zinc/70/90/57/1067709057.db2.gz ZXBBTVXSVNLYDK-UHFFFAOYSA-N 0 0 455.357 4.994 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001460723994 1067709844 /nfs/dbraw/zinc/70/98/44/1067709844.db2.gz JSPIEOYTYXCYPD-OWWXFVBASA-N 0 0 459.011 4.832 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001460725814 1067710342 /nfs/dbraw/zinc/71/03/42/1067710342.db2.gz JLNAFRHDLXEEJG-HTAPYJJXSA-N 0 0 455.986 4.964 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001460725816 1067710391 /nfs/dbraw/zinc/71/03/91/1067710391.db2.gz JLNAFRHDLXEEJG-JTSKRJEESA-N 0 0 455.986 4.964 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)Cc1csc(NC(=O)C(C)(C)C)n1)CCC2 ZINC001460726882 1067710663 /nfs/dbraw/zinc/71/06/63/1067710663.db2.gz VNRQGDSZPXKQCO-UHFFFAOYSA-N 0 0 450.402 4.721 20 0 JJADRN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001460729136 1067710632 /nfs/dbraw/zinc/71/06/32/1067710632.db2.gz MFDHTVIDUQHWEO-IEBWSBKVSA-N 0 0 451.567 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4.710 20 0 JJADRN CN(C(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c2C1)c1nc2ccccc2s1 ZINC001460975035 1067755521 /nfs/dbraw/zinc/75/55/21/1067755521.db2.gz AQSKOOSTHYRENH-UHFFFAOYSA-N 0 0 452.580 4.664 20 0 JJADRN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)C(F)(F)c1ncccc1Br ZINC001460975299 1067755674 /nfs/dbraw/zinc/75/56/74/1067755674.db2.gz BNRZXNFNOWTGDU-UHFFFAOYSA-N 0 0 455.646 4.810 20 0 JJADRN CC1(C)CCc2nc(NC(=O)c3ccc(=O)n(CCOc4ccccc4Cl)c3)sc2C1 ZINC001460982700 1067756329 /nfs/dbraw/zinc/75/63/29/1067756329.db2.gz YNOVPYHEGBUODY-UHFFFAOYSA-N 0 0 457.983 4.804 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980046 1067756491 /nfs/dbraw/zinc/75/64/91/1067756491.db2.gz YBNAQANZPHNRHC-XVTZWQNCSA-N 0 0 458.628 4.640 20 0 JJADRN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001460982902 1067756946 /nfs/dbraw/zinc/75/69/46/1067756946.db2.gz SCNFWOZDKZANEZ-WIYYLYMNSA-N 0 0 457.615 4.623 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC001460984782 1067757322 /nfs/dbraw/zinc/75/73/22/1067757322.db2.gz IKUXUXCOCMHNOE-UHFFFAOYSA-N 0 0 454.402 4.796 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)cc1F ZINC001460985450 1067757625 /nfs/dbraw/zinc/75/76/25/1067757625.db2.gz DKTBYYGYNKDNCN-UHFFFAOYSA-N 0 0 459.271 4.743 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)C[C@H](C)Cc2ccc(Cl)cc2)N2CCCCC2)n1 ZINC001461000268 1067760473 /nfs/dbraw/zinc/76/04/73/1067760473.db2.gz MBYHLITWNMHQEP-MRXNPFEDSA-N 0 0 450.004 4.515 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC=CCC2)c1C ZINC001461002911 1067760923 /nfs/dbraw/zinc/76/09/23/1067760923.db2.gz GTHZWMUMAYGEQK-OAQYLSRUSA-N 0 0 452.345 4.551 20 0 JJADRN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc(C(F)(F)F)no1 ZINC001461009236 1067761704 /nfs/dbraw/zinc/76/17/04/1067761704.db2.gz LLJSNFIZKPGMJJ-LLVKDONJSA-N 0 0 453.852 4.687 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCOC2)CCS1 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DEBQRTMWLOSOLV-DXIQSLLYSA-N 0 0 453.583 4.672 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1Cl ZINC001461036903 1067766892 /nfs/dbraw/zinc/76/68/92/1067766892.db2.gz HVKBCAZTDAIYFL-JZXOWHBKSA-N 0 0 454.011 4.781 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 ZINC001461037179 1067766961 /nfs/dbraw/zinc/76/69/61/1067766961.db2.gz BAVLBHHMXPGCLZ-NSHDSACASA-N 0 0 451.426 4.627 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461039712 1067767578 /nfs/dbraw/zinc/76/75/78/1067767578.db2.gz MESSIYALEFSELB-FMKPAKJESA-N 0 0 457.384 4.529 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461042344 1067768378 /nfs/dbraw/zinc/76/83/78/1067768378.db2.gz QOYFKBADVAGFLQ-QINHECLXSA-N 0 0 454.571 4.625 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)c1 ZINC001461042402 1067768389 /nfs/dbraw/zinc/76/83/89/1067768389.db2.gz QRZWKLYJTCVWNN-KFWWJZLASA-N 0 0 457.384 4.908 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]3C)cs2)cc1 ZINC001461043438 1067768688 /nfs/dbraw/zinc/76/86/88/1067768688.db2.gz RXGJNOCYBLFSOT-JZXOWHBKSA-N 0 0 459.612 4.830 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)CCc2cc(Br)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461044040 1067768694 /nfs/dbraw/zinc/76/86/94/1067768694.db2.gz VQYXKVWWACCWRC-QLFBSQMISA-N 0 0 459.450 4.841 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(-c3ccc(Br)s3)s2)s1 ZINC001461045904 1067768991 /nfs/dbraw/zinc/76/89/91/1067768991.db2.gz FKRZEDOPUIFIKO-MRVPVSSYSA-N 0 0 457.396 4.973 20 0 JJADRN C[C@H](NCc1ccc(F)cc1I)c1ccc(NC(=O)NC2CC2)cc1 ZINC001461050549 1067769913 /nfs/dbraw/zinc/76/99/13/1067769913.db2.gz IDSLFYUFJVKPBT-LBPRGKRZSA-N 0 0 453.299 4.565 20 0 JJADRN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cnc(-c2ccccc2Br)s1 ZINC001461052319 1067770238 /nfs/dbraw/zinc/77/02/38/1067770238.db2.gz GZHKMVKEAAIYSK-FQEVSTJZSA-N 0 0 451.386 4.767 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccncc2Oc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461054468 1067770971 /nfs/dbraw/zinc/77/09/71/1067770971.db2.gz ZWVVKDRHXSHJQE-LEWJYISDSA-N 0 0 481.346 4.665 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001461053299 1067771049 /nfs/dbraw/zinc/77/10/49/1067771049.db2.gz SHRNRICKRHDGAV-RYGJVYDSSA-N 0 0 462.359 4.572 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461055989 1067771347 /nfs/dbraw/zinc/77/13/47/1067771347.db2.gz DTFBMXBACDXQSP-QGZVFWFLSA-N 0 0 450.564 4.610 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461055986 1067771533 /nfs/dbraw/zinc/77/15/33/1067771533.db2.gz DTFBMXBACDXQSP-KRWDZBQOSA-N 0 0 450.564 4.610 20 0 JJADRN COc1cc([C@H](C)NCc2ncc(I)s2)ccc1OC1CCCC1 ZINC001461056400 1067771686 /nfs/dbraw/zinc/77/16/86/1067771686.db2.gz AKUKDIZXLGLBLS-LBPRGKRZSA-N 0 0 458.365 4.929 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001461058126 1067771826 /nfs/dbraw/zinc/77/18/26/1067771826.db2.gz YVZHZDJFXKVIEQ-UHFFFAOYSA-N 0 0 455.407 4.967 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC[C@H](C)[C@H]3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461058999 1067772109 /nfs/dbraw/zinc/77/21/09/1067772109.db2.gz OQWYWIZNLOCAMS-VPKVUBIPSA-N 0 0 456.410 4.870 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 ZINC001546121157 1067772507 /nfs/dbraw/zinc/77/25/07/1067772507.db2.gz MQPJAWIRGBDQDR-SFTDATJTSA-N 0 0 458.672 4.950 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cc(C)ccc3C)n2Cc2conc2COC)CCS1 ZINC001546121182 1067772740 /nfs/dbraw/zinc/77/27/40/1067772740.db2.gz NYPURTMWPFRBIE-UHFFFAOYSA-N 0 0 485.654 4.769 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CNc2ccc(NC(C)=O)c(OC)c2)cc1Br ZINC001461060794 1067772924 /nfs/dbraw/zinc/77/29/24/1067772924.db2.gz MDYAQMZMGHKCRS-GFCCVEGCSA-N 0 0 455.324 4.849 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CCS1 ZINC001546121189 1067772939 /nfs/dbraw/zinc/77/29/39/1067772939.db2.gz OENVLZNBCGYHFE-LJQANCHMSA-N 0 0 482.716 4.957 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)ccc2OC(F)(F)F)C1 ZINC001461064943 1067774291 /nfs/dbraw/zinc/77/42/91/1067774291.db2.gz OLYHHNQWQGWKOC-VXGBXAGGSA-N 0 0 451.283 4.571 20 0 JJADRN C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(F)(F)F ZINC001461065832 1067774591 /nfs/dbraw/zinc/77/45/91/1067774591.db2.gz OYKHSLQHYYMLJD-CYBMUJFWSA-N 0 0 452.274 4.911 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CCS1 ZINC001546121285 1067774939 /nfs/dbraw/zinc/77/49/39/1067774939.db2.gz RMAVGPFLLJJDAQ-UQBPGWFLSA-N 0 0 474.671 4.529 20 0 JJADRN O=C(Nc1cc(Br)ccc1OC(F)(F)F)c1nc(Br)ccc1F ZINC001461070612 1067775718 /nfs/dbraw/zinc/77/57/18/1067775718.db2.gz OJWOKZYUOGRVGL-UHFFFAOYSA-N 0 0 458.003 4.897 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)no1 ZINC001461070716 1067775756 /nfs/dbraw/zinc/77/57/56/1067775756.db2.gz FDKKCXUHNBLJDL-UHFFFAOYSA-N 0 0 455.877 4.501 20 0 JJADRN CC(C)(C)c1cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)no1 ZINC001461078878 1067777391 /nfs/dbraw/zinc/77/73/91/1067777391.db2.gz DWDOOYUBNDPLDX-UHFFFAOYSA-N 0 0 454.976 4.547 20 0 JJADRN CCOCCOCc1cccc(NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001461079819 1067777687 /nfs/dbraw/zinc/77/76/87/1067777687.db2.gz GQCCGWDGSGBQQE-UHFFFAOYSA-N 0 0 459.587 4.502 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cnn(C)c2)CCS1 ZINC001546121447 1067778096 /nfs/dbraw/zinc/77/80/96/1067778096.db2.gz YNCNNZQBLLMZQA-NHCUHLMSSA-N 0 0 474.719 4.675 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)cc2)cc1 ZINC001461088688 1067779492 /nfs/dbraw/zinc/77/94/92/1067779492.db2.gz JMYJOQSWOBAYGX-DEOSSOPVSA-N 0 0 455.620 4.602 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)ccn1 ZINC001461088000 1067779571 /nfs/dbraw/zinc/77/95/71/1067779571.db2.gz SBLLRQZRPFJNFW-MRXNPFEDSA-N 0 0 455.356 4.701 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNCc3cccc(NC(=O)[C@@H]4CCCO4)c3)cc12 ZINC001461092319 1067780180 /nfs/dbraw/zinc/78/01/80/1067780180.db2.gz IJPOSFUKLJETOS-FQEVSTJZSA-N 0 0 455.990 4.555 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNCc3cccc(NC(=O)[C@H]4CCCO4)c3)cc12 ZINC001461092322 1067780264 /nfs/dbraw/zinc/78/02/64/1067780264.db2.gz IJPOSFUKLJETOS-HXUWFJFHSA-N 0 0 455.990 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNCCOc3cccc(Cl)c3Cl)sc2C1 ZINC001461094614 1067781007 /nfs/dbraw/zinc/78/10/07/1067781007.db2.gz IVMJULCDTUCBKM-UHFFFAOYSA-N 0 0 458.411 4.912 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 ZINC001461098066 1067781575 /nfs/dbraw/zinc/78/15/75/1067781575.db2.gz SWXXZYDODHMHBM-UHFFFAOYSA-N 0 0 455.555 4.828 20 0 JJADRN CNS(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC001461101020 1067781964 /nfs/dbraw/zinc/78/19/64/1067781964.db2.gz OEOUTENDQMZPNN-LBPRGKRZSA-N 0 0 456.420 4.876 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccccc1C(F)(F)F ZINC001461109098 1067783432 /nfs/dbraw/zinc/78/34/32/1067783432.db2.gz QETWXLLFNFOSJV-AHRSYUTCSA-N 0 0 479.499 4.703 20 0 JJADRN O=C(NC1(c2ccccc2Cl)CC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001461108084 1067783467 /nfs/dbraw/zinc/78/34/67/1067783467.db2.gz PLWVFNPIAQBWIK-UHFFFAOYSA-N 0 0 453.391 4.587 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001461108409 1067783512 /nfs/dbraw/zinc/78/35/12/1067783512.db2.gz DBWUNFRIOOPNCT-ZLGUVYLKSA-N 0 0 478.374 4.682 20 0 JJADRN O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1cc(-c2ccc(Br)cc2)ns1 ZINC001461110690 1067783791 /nfs/dbraw/zinc/78/37/91/1067783791.db2.gz AVFBMNKPMIMVMP-UHFFFAOYSA-N 0 0 453.264 4.824 20 0 JJADRN Cc1nc(-c2cc(NC(=O)Cc3ccc(Br)c(F)c3)cc(C(F)(F)F)c2)n[nH]1 ZINC001461115054 1067784212 /nfs/dbraw/zinc/78/42/12/1067784212.db2.gz RNVUGHLZTHKHOG-UHFFFAOYSA-N 0 0 457.225 4.882 20 0 JJADRN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC001461116300 1067784610 /nfs/dbraw/zinc/78/46/10/1067784610.db2.gz VSRSJKSGDHQYTE-AUSIDOKSSA-N 0 0 463.578 4.727 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C ZINC001461120362 1067785279 /nfs/dbraw/zinc/78/52/79/1067785279.db2.gz OWMRWCRVGCBQCI-UHFFFAOYSA-N 0 0 457.486 4.682 20 0 JJADRN O=C(NCC[C@@H]1CSc2ccccc2O1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001461125076 1067786153 /nfs/dbraw/zinc/78/61/53/1067786153.db2.gz BQMHKMSONAPMEK-QGZVFWFLSA-N 0 0 450.482 4.505 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1OC ZINC001461125789 1067786498 /nfs/dbraw/zinc/78/64/98/1067786498.db2.gz RPVCQCPDTLOAQG-OWCLPIDISA-N 0 0 454.995 4.996 20 0 JJADRN O=C(NC1(c2cccc(Cl)c2)CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001461128363 1067786733 /nfs/dbraw/zinc/78/67/33/1067786733.db2.gz PPDQUJSVNDGTCR-SFQUDFHCSA-N 0 0 459.011 4.548 20 0 JJADRN C[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)CC(F)F ZINC001461129802 1067787143 /nfs/dbraw/zinc/78/71/43/1067787143.db2.gz VRWAZSPCQNGMEW-CYBMUJFWSA-N 0 0 454.930 4.739 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001461133722 1067787448 /nfs/dbraw/zinc/78/74/48/1067787448.db2.gz LUJGFWJETHKBLQ-RUZDIDTESA-N 0 0 458.599 4.546 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CCOCC1 ZINC001461140030 1067787751 /nfs/dbraw/zinc/78/77/51/1067787751.db2.gz YNNDTYRYNRPINP-OAQYLSRUSA-N 0 0 459.970 4.715 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)[C@@H]1SC ZINC001461137110 1067787789 /nfs/dbraw/zinc/78/77/89/1067787789.db2.gz VOZMXBHCHCAWTC-CZHOHAKKSA-N 0 0 458.649 4.566 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461144038 1067788588 /nfs/dbraw/zinc/78/85/88/1067788588.db2.gz NQSSKCIJVNYTOB-RHSMWYFYSA-N 0 0 459.331 4.932 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCC(c2cccc(F)c2F)CC1 ZINC001461147826 1067789097 /nfs/dbraw/zinc/78/90/97/1067789097.db2.gz HGNLQKWFEJLVKD-UHFFFAOYSA-N 0 0 455.526 4.959 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CO1 ZINC001461154211 1067790177 /nfs/dbraw/zinc/79/01/77/1067790177.db2.gz AQEWJGMFFKCVKJ-OFNKIYASSA-N 0 0 457.542 4.548 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CC[C@H](Oc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461156996 1067791009 /nfs/dbraw/zinc/79/10/09/1067791009.db2.gz DBSDGXYSKAUQTI-YYDVJCTNSA-N 0 0 458.961 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC001461169404 1067792102 /nfs/dbraw/zinc/79/21/02/1067792102.db2.gz GOOWFEAUMMOBQY-GJZUVCINSA-N 0 0 453.558 4.695 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C[C@H]1CCCO1 ZINC001461167621 1067792142 /nfs/dbraw/zinc/79/21/42/1067792142.db2.gz PMZRKBJQHHBIMV-CYBMUJFWSA-N 0 0 452.857 4.593 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)C1(OCc2ccccc2)CCOCC1 ZINC001461172077 1067792365 /nfs/dbraw/zinc/79/23/65/1067792365.db2.gz SGWBJEUZXCJWDO-UHFFFAOYSA-N 0 0 459.262 4.567 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)Nc1nn(CC(F)(F)F)cc1Cl ZINC001461172159 1067792684 /nfs/dbraw/zinc/79/26/84/1067792684.db2.gz OGCUIBWAYKFBSH-UHFFFAOYSA-N 0 0 451.923 4.985 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC001461173393 1067792692 /nfs/dbraw/zinc/79/26/92/1067792692.db2.gz YSQBBIWGGUAMTI-UHFFFAOYSA-N 0 0 451.264 4.854 20 0 JJADRN C[C@H](OC(=O)CSc1nnnn1CC(F)(F)F)c1ccc(Sc2ccccc2)cc1 ZINC001461173520 1067792702 /nfs/dbraw/zinc/79/27/02/1067792702.db2.gz KJBPXBVZGIRFLI-ZDUSSCGKSA-N 0 0 454.499 4.783 20 0 JJADRN Cc1nc(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)nn1-c1c(Cl)cccc1Cl ZINC001461174158 1067792739 /nfs/dbraw/zinc/79/27/39/1067792739.db2.gz WKKXEZXCIVSKMJ-UHFFFAOYSA-N 0 0 453.639 4.547 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CCOCC1 ZINC001546122265 1067793504 /nfs/dbraw/zinc/79/35/04/1067793504.db2.gz DJHJYXVSHSVEJW-WOJBJXKFSA-N 0 0 471.671 4.684 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193235 1067796721 /nfs/dbraw/zinc/79/67/21/1067796721.db2.gz NVYYPXYBJXWAME-KWCYVHTRSA-N 0 0 475.342 4.553 20 0 JJADRN C[C@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193826 1067796919 /nfs/dbraw/zinc/79/69/19/1067796919.db2.gz QQCWZFHQJAXWBE-GDSLZEFTSA-N 0 0 479.042 4.778 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC001461195742 1067797589 /nfs/dbraw/zinc/79/75/89/1067797589.db2.gz QSNAODTXJHZBFP-FQEVSTJZSA-N 0 0 455.352 4.680 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)C2)c1 ZINC001461197810 1067797629 /nfs/dbraw/zinc/79/76/29/1067797629.db2.gz TXSMRYCTLXCKTP-PABCKOPISA-N 0 0 470.654 4.664 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461200157 1067798264 /nfs/dbraw/zinc/79/82/64/1067798264.db2.gz YLTCSYXJUJWWAJ-UHFFFAOYSA-N 0 0 459.384 4.981 20 0 JJADRN COCCOc1cccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001461216784 1067801708 /nfs/dbraw/zinc/80/17/08/1067801708.db2.gz LGCBMOJXFAJUHU-SANMLTNESA-N 0 0 453.604 4.611 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)nnc1-c1ccccc1 ZINC001461221419 1067802651 /nfs/dbraw/zinc/80/26/51/1067802651.db2.gz OIQYHAYHZASDBL-UAGQMJEPSA-N 0 0 456.534 4.624 20 0 JJADRN COc1ccc(C(=O)Oc2cccc3sccc32)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001461222287 1067803015 /nfs/dbraw/zinc/80/30/15/1067803015.db2.gz MPPQJOMKROUSKW-HOTGVXAUSA-N 0 0 459.589 4.796 20 0 JJADRN COc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc(Cl)c1OC ZINC001461223091 1067803084 /nfs/dbraw/zinc/80/30/84/1067803084.db2.gz IDSQSTLTJOZRDY-UHFFFAOYSA-N 0 0 458.873 4.766 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C[C@H]1c1ccccc1 ZINC001461222266 1067803150 /nfs/dbraw/zinc/80/31/50/1067803150.db2.gz DIWABEYLGDNFJS-VQTJNVASSA-N 0 0 459.970 4.802 20 0 JJADRN COc1cc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc(Cl)c1OC ZINC001461224270 1067803408 /nfs/dbraw/zinc/80/34/08/1067803408.db2.gz MLOACKUPMGXLQM-UHFFFAOYSA-N 0 0 451.972 4.699 20 0 JJADRN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001461224189 1067803477 /nfs/dbraw/zinc/80/34/77/1067803477.db2.gz KUQIQMWIBZNLCJ-GFCCVEGCSA-N 0 0 458.739 4.570 20 0 JJADRN O=C(Oc1cccc2sccc21)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001461223713 1067803591 /nfs/dbraw/zinc/80/35/91/1067803591.db2.gz RFDQFSTYPYJACN-UHFFFAOYSA-N 0 0 453.944 4.700 20 0 JJADRN Cc1cccc(N2N=C(C(=O)NCC3(c4cccc(OC(F)(F)F)c4)CCC3)CCC2=O)c1 ZINC001461227626 1067804499 /nfs/dbraw/zinc/80/44/99/1067804499.db2.gz GNVTXVGAVBNMOK-UHFFFAOYSA-N 0 0 459.468 4.615 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)CCCC1 ZINC001546122679 1067806941 /nfs/dbraw/zinc/80/69/41/1067806941.db2.gz TZCATKMMYFRKDX-GOSISDBHSA-N 0 0 488.702 4.719 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC001461240426 1067807281 /nfs/dbraw/zinc/80/72/81/1067807281.db2.gz WYCWIVUVMLYDGT-FQEVSTJZSA-N 0 0 457.615 4.926 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461248888 1067809452 /nfs/dbraw/zinc/80/94/52/1067809452.db2.gz XXQULZSLLLFUPA-UHFFFAOYSA-N 0 0 451.514 4.668 20 0 JJADRN O=C(c1ncoc1-c1ccccc1Cl)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461249367 1067809464 /nfs/dbraw/zinc/80/94/64/1067809464.db2.gz ZQLDFZMPVBHAEC-UHFFFAOYSA-N 0 0 455.864 4.545 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2c(Br)cccc2Br)nc1 ZINC001461251629 1067810304 /nfs/dbraw/zinc/81/03/04/1067810304.db2.gz UIQYAFNFIMJONS-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)OCc2ncc(Br)cc2Cl)n1 ZINC001461252523 1067810482 /nfs/dbraw/zinc/81/04/82/1067810482.db2.gz FNZKLJLKNITRMT-UHFFFAOYSA-N 0 0 454.733 4.838 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(F)cn2)cc1 ZINC001461256512 1067811512 /nfs/dbraw/zinc/81/15/12/1067811512.db2.gz XMHWSMOZRIVTFY-UHFFFAOYSA-N 0 0 455.555 4.739 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)OCc1ncc(Br)cc1Cl ZINC001461255966 1067811550 /nfs/dbraw/zinc/81/15/50/1067811550.db2.gz OUFCPTKFPWMEQF-SECBINFHSA-N 0 0 453.642 4.888 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CCOCC1 ZINC001546122843 1067812407 /nfs/dbraw/zinc/81/24/07/1067812407.db2.gz ZLFHIZVYSVQIIT-UYAOXDASSA-N 0 0 493.574 4.989 20 0 JJADRN COC(=O)[C@H]1CN(C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)c2ccc(F)cc2O1 ZINC001461268036 1067814567 /nfs/dbraw/zinc/81/45/67/1067814567.db2.gz MRQKAWYPWWGFCG-JOCHJYFZSA-N 0 0 450.466 4.717 20 0 JJADRN O=C(c1cc(F)ccc1I)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461273613 1067815492 /nfs/dbraw/zinc/81/54/92/1067815492.db2.gz MDBUHEIMKAXSNM-GUDVDZBRSA-N 0 0 451.279 4.565 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC001461280035 1067816530 /nfs/dbraw/zinc/81/65/30/1067816530.db2.gz BVPFSJUMMGINJL-DLBZAZTESA-N 0 0 452.498 4.879 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)Nc3cc(F)cc(N4C[C@@H](C)O[C@@H](C)C4)c3)nc2)cc1 ZINC001461286662 1067818587 /nfs/dbraw/zinc/81/85/87/1067818587.db2.gz NKESPJZZPDFJAR-CALCHBBNSA-N 0 0 451.498 4.888 20 0 JJADRN Cc1ccc(CNCc2cccc(F)c2I)c(OCC(F)(F)F)c1 ZINC001461287871 1067818599 /nfs/dbraw/zinc/81/85/99/1067818599.db2.gz XMDYAZVAJZBNFB-UHFFFAOYSA-N 0 0 453.217 4.970 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC001461290416 1067819815 /nfs/dbraw/zinc/81/98/15/1067819815.db2.gz QFLIVZBXGLVLBR-HNNXBMFYSA-N 0 0 452.864 4.799 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCOc2c1cccc2C(F)(F)F ZINC001461294347 1067820577 /nfs/dbraw/zinc/82/05/77/1067820577.db2.gz KZCXRGHBVGNJMY-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN O=C(c1cnn(-c2ccccc2)c1Br)N1CCOc2c1cccc2C(F)(F)F ZINC001461296919 1067821215 /nfs/dbraw/zinc/82/12/15/1067821215.db2.gz OBHSNKAPCYZBPP-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)CCCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC001461297839 1067821698 /nfs/dbraw/zinc/82/16/98/1067821698.db2.gz YSQDVRNLNSDGRX-FGZHOGPDSA-N 0 0 451.563 4.857 20 0 JJADRN CC[C@]1(c2ccc(NCc3ccc(OC)c(OCc4ccccc4)c3)cc2)CCC(=O)NC1=O ZINC001461302915 1067822949 /nfs/dbraw/zinc/82/29/49/1067822949.db2.gz DHXAYGYTFVINFR-MUUNZHRXSA-N 0 0 458.558 4.971 20 0 JJADRN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC001461304680 1067823522 /nfs/dbraw/zinc/82/35/22/1067823522.db2.gz ABESCGODZURXBS-KRWDZBQOSA-N 0 0 452.274 4.915 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461303830 1067823721 /nfs/dbraw/zinc/82/37/21/1067823721.db2.gz JCWHDLKFJPPCFH-VXGBXAGGSA-N 0 0 464.278 4.561 20 0 JJADRN O=C(NC1(c2ccccc2Cl)CCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001461306081 1067824067 /nfs/dbraw/zinc/82/40/67/1067824067.db2.gz BHSVTQXPXAWWFF-UHFFFAOYSA-N 0 0 453.391 4.587 20 0 JJADRN CN(C)c1nc(C(F)(F)F)ccc1CNc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC001461307646 1067824525 /nfs/dbraw/zinc/82/45/25/1067824525.db2.gz HNEVQVPPIOYJGV-UHFFFAOYSA-N 0 0 454.496 4.910 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)c1cc(I)ccc1F ZINC001461310503 1067825484 /nfs/dbraw/zinc/82/54/84/1067825484.db2.gz JPBCOWDVVZZTHW-UHFFFAOYSA-N 0 0 451.264 4.624 20 0 JJADRN Cc1nnnn1-c1cccc(NCc2cccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 ZINC001461314961 1067826138 /nfs/dbraw/zinc/82/61/38/1067826138.db2.gz SBGBUDHTCCYDNO-UHFFFAOYSA-N 0 0 457.538 4.992 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1C ZINC001461315038 1067826317 /nfs/dbraw/zinc/82/63/17/1067826317.db2.gz XAPITWFHQOFYKP-UHFFFAOYSA-N 0 0 450.967 4.714 20 0 JJADRN COc1ccc(OCc2ccccn2)c(CNc2cccc(C(=O)NCc3ccccn3)c2)c1 ZINC001461317397 1067826803 /nfs/dbraw/zinc/82/68/03/1067826803.db2.gz FTJJWDHBEXANJL-UHFFFAOYSA-N 0 0 454.530 4.606 20 0 JJADRN Cc1cc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc(C(=O)OC(C)(C)C)c1 ZINC001461324446 1067828155 /nfs/dbraw/zinc/82/81/55/1067828155.db2.gz FILIJXXEIAHVHM-MHZLTWQESA-N 0 0 453.579 4.980 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC001461327091 1067829419 /nfs/dbraw/zinc/82/94/19/1067829419.db2.gz ZXJSTTYIRTWATN-SANMLTNESA-N 0 0 450.604 4.692 20 0 JJADRN COc1ccc(NCc2c(Cl)cccc2S(C)(=O)=O)cc1NC(=O)C1CCCCC1 ZINC001461328493 1067830048 /nfs/dbraw/zinc/83/00/48/1067830048.db2.gz IWKFMCFDRZUDQM-UHFFFAOYSA-N 0 0 450.988 4.883 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC001461331650 1067830769 /nfs/dbraw/zinc/83/07/69/1067830769.db2.gz IYGRTIXEZPAJOZ-UHFFFAOYSA-N 0 0 456.436 4.722 20 0 JJADRN Cn1c(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)ccc1-c1ccc(F)cc1 ZINC001461331581 1067830910 /nfs/dbraw/zinc/83/09/10/1067830910.db2.gz IWYCBTXFLMGGJZ-UHFFFAOYSA-N 0 0 455.505 4.925 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)c(F)c1 ZINC001461335172 1067831235 /nfs/dbraw/zinc/83/12/35/1067831235.db2.gz OJJMEFDMKNIMKV-IBGZPJMESA-N 0 0 450.457 4.567 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001461335354 1067831559 /nfs/dbraw/zinc/83/15/59/1067831559.db2.gz UVDIAOROICLQLA-HNAYVOBHSA-N 0 0 451.539 4.550 20 0 JJADRN C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461337003 1067831683 /nfs/dbraw/zinc/83/16/83/1067831683.db2.gz YKQYPANAJGUKCZ-FXAWDEMLSA-N 0 0 459.562 4.955 20 0 JJADRN Cn1cc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c(I)n1 ZINC001461341295 1067833699 /nfs/dbraw/zinc/83/36/99/1067833699.db2.gz AQFHTESYCAEQES-KRWDZBQOSA-N 0 0 455.702 4.696 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001461340841 1067833839 /nfs/dbraw/zinc/83/38/39/1067833839.db2.gz INTMTPRKKYNTSK-UGKGYDQZSA-N 0 0 450.579 4.518 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3CC(=O)OC(C)(C)C)s2)cc1 ZINC001461341828 1067834127 /nfs/dbraw/zinc/83/41/27/1067834127.db2.gz KDPCRCQQTMFMRY-QGZVFWFLSA-N 0 0 458.580 4.736 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C)c1ccc(I)cc1 ZINC001461343291 1067834404 /nfs/dbraw/zinc/83/44/04/1067834404.db2.gz NQTXKLPXGCYUEG-PBHICJAKSA-N 0 0 457.352 4.508 20 0 JJADRN O=C(Nc1csc(-c2ccccc2)n1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001461343895 1067834694 /nfs/dbraw/zinc/83/46/94/1067834694.db2.gz OQPRGTZWNJOAML-UHFFFAOYSA-N 0 0 450.833 4.710 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001461349769 1067835724 /nfs/dbraw/zinc/83/57/24/1067835724.db2.gz YWMVMHAKGJVGCN-SFHVURJKSA-N 0 0 458.430 4.972 20 0 JJADRN COc1cc(CNc2cnn(CC3CC3)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461348965 1067835827 /nfs/dbraw/zinc/83/58/27/1067835827.db2.gz SGSDSVRXHZFMLG-UHFFFAOYSA-N 0 0 458.921 4.724 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CNc2ccc(NC(C)=O)cc2OC)cc1Br ZINC001461353825 1067836896 /nfs/dbraw/zinc/83/68/96/1067836896.db2.gz ULWOESFKVJLNBK-LBPRGKRZSA-N 0 0 455.324 4.849 20 0 JJADRN O=C(NC1CC=CC1)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 ZINC001461355708 1067837279 /nfs/dbraw/zinc/83/72/79/1067837279.db2.gz JCZGFOZAUSTQEZ-UHFFFAOYSA-N 0 0 459.637 4.650 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)nn1-c1cc(C)cc(C)c1 ZINC001461358137 1067837754 /nfs/dbraw/zinc/83/77/54/1067837754.db2.gz CPDLTJGAGKCCSX-JOCHJYFZSA-N 0 0 452.599 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C12CCCC2 ZINC001461359161 1067838127 /nfs/dbraw/zinc/83/81/27/1067838127.db2.gz FGEPMENLJQUGQG-HXUWFJFHSA-N 0 0 458.990 4.637 20 0 JJADRN CC[C@@H](OCCNC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 ZINC001461360787 1067838574 /nfs/dbraw/zinc/83/85/74/1067838574.db2.gz AROCEYDQEAWQFP-OAQYLSRUSA-N 0 0 451.592 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(F)c(Br)cc2F)C12CCCC2 ZINC001461364272 1067838904 /nfs/dbraw/zinc/83/89/04/1067838904.db2.gz NKSLOWKCBNTQPC-INIZCTEOSA-N 0 0 459.331 4.779 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)c(Cl)c1 ZINC001461364690 1067839348 /nfs/dbraw/zinc/83/93/48/1067839348.db2.gz ZCQBUBHUCYNUDP-INIZCTEOSA-N 0 0 454.914 4.723 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H]2C(C)C)CCOCC1 ZINC001546123816 1067839728 /nfs/dbraw/zinc/83/97/28/1067839728.db2.gz BOSMRHTXJIWZMW-NRFANRHFSA-N 0 0 474.049 4.693 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001461370775 1067840161 /nfs/dbraw/zinc/84/01/61/1067840161.db2.gz AKOKMMCRUKMFLF-SFHVURJKSA-N 0 0 453.633 4.900 20 0 JJADRN CSc1ncc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)n1-c1ccc(F)cc1 ZINC001461371178 1067840236 /nfs/dbraw/zinc/84/02/36/1067840236.db2.gz YDEVDGZZKAAWPD-FYSMJZIKSA-N 0 0 474.602 4.500 20 0 JJADRN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)n1 ZINC001461372657 1067840748 /nfs/dbraw/zinc/84/07/48/1067840748.db2.gz OLDXXCWEQAFZKG-LRDDRELGSA-N 0 0 452.780 4.633 20 0 JJADRN C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cc(Cl)cc(Br)c3F)CC2)n1 ZINC001461374122 1067841173 /nfs/dbraw/zinc/84/11/73/1067841173.db2.gz UTQYVUZGMFVWEH-ZWNOBZJWSA-N 0 0 456.743 4.843 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)c2cc(F)ccc2I)cc1 ZINC001461377488 1067841844 /nfs/dbraw/zinc/84/18/44/1067841844.db2.gz HEVMGEVRDFMWIM-MRXNPFEDSA-N 0 0 453.295 4.676 20 0 JJADRN O=C(c1cc(I)c(F)cc1F)N1CCCC[C@@H]1Cc1ccccc1F ZINC001461378232 1067841904 /nfs/dbraw/zinc/84/19/04/1067841904.db2.gz VOQRCORHJIBIMT-CYBMUJFWSA-N 0 0 459.249 4.946 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461378903 1067841935 /nfs/dbraw/zinc/84/19/35/1067841935.db2.gz HKGVJXBNAQDETA-DFFLPILJSA-N 0 0 457.398 4.914 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Br)c1)C2 ZINC001461380614 1067842244 /nfs/dbraw/zinc/84/22/44/1067842244.db2.gz PHERCUPDUKFTEN-XOBRGWDASA-N 0 0 457.796 4.870 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](CC)OC[C@H]2CC)c1 ZINC001461384575 1067843793 /nfs/dbraw/zinc/84/37/93/1067843793.db2.gz ZFBHLJSPDSBUGY-GGAORHGYSA-N 0 0 458.624 4.712 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)c3cc4ncc(Br)cn4n3)nc2)c1 ZINC001461409135 1067848728 /nfs/dbraw/zinc/84/87/28/1067848728.db2.gz VKVIFXPSNQTVEJ-UHFFFAOYSA-N 0 0 455.341 4.605 20 0 JJADRN CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)CC2 ZINC001461411719 1067849188 /nfs/dbraw/zinc/84/91/88/1067849188.db2.gz TYPBYOHYJZWMQH-UHFFFAOYSA-N 0 0 454.636 4.962 20 0 JJADRN O=C(O[C@@H](c1ccc(Br)cc1Cl)C(F)(F)F)c1cc2n(n1)CCCC2=O ZINC001461412474 1067849649 /nfs/dbraw/zinc/84/96/49/1067849649.db2.gz OHHAADJVEGHPNK-AWEZNQCLSA-N 0 0 451.626 4.736 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001461417413 1067851293 /nfs/dbraw/zinc/85/12/93/1067851293.db2.gz SKVCMGPOKYREGC-APWZRJJASA-N 0 0 452.439 4.783 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001461417845 1067851323 /nfs/dbraw/zinc/85/13/23/1067851323.db2.gz WAELZHVXOZDUKD-PGRDOPGGSA-N 0 0 450.432 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NCc3cc(Br)ccc3F)cn2)CC1 ZINC001461425128 1067853236 /nfs/dbraw/zinc/85/32/36/1067853236.db2.gz SXTUWNIOHHNKOT-UHFFFAOYSA-N 0 0 453.356 4.969 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001461433224 1067854760 /nfs/dbraw/zinc/85/47/60/1067854760.db2.gz SNTCTYPRUAFGKU-LJQANCHMSA-N 0 0 450.461 4.892 20 0 JJADRN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccccc1I ZINC001461431785 1067855029 /nfs/dbraw/zinc/85/50/29/1067855029.db2.gz MFZOECKSVNGCKM-OAQYLSRUSA-N 0 0 456.327 4.631 20 0 JJADRN CC(C)COc1cccc(OCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)c1 ZINC001461434581 1067855496 /nfs/dbraw/zinc/85/54/96/1067855496.db2.gz WSBHNFSRMAYHOP-GAJHUEQPSA-N 0 0 462.384 4.851 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001461443444 1067857713 /nfs/dbraw/zinc/85/77/13/1067857713.db2.gz JXHWLLSOTBYMEK-IRLDBZIGSA-N 0 0 457.477 4.824 20 0 JJADRN O=C(c1ccc(OC2CCCC2)cc1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461442946 1067857734 /nfs/dbraw/zinc/85/77/34/1067857734.db2.gz ABNIGBZVIAWKNC-WIYYLYMNSA-N 0 0 452.517 4.804 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC001461443442 1067857800 /nfs/dbraw/zinc/85/78/00/1067857800.db2.gz JXHWLLSOTBYMEK-IFMALSPDSA-N 0 0 457.477 4.824 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccccc1OCc1csc(C)n1)CCC2 ZINC001461444140 1067858107 /nfs/dbraw/zinc/85/81/07/1067858107.db2.gz PWVLWCIYBHELSB-IBGZPJMESA-N 0 0 450.560 4.667 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)CCC2 ZINC001461444214 1067858181 /nfs/dbraw/zinc/85/81/81/1067858181.db2.gz RCBKNGZYRLRFSY-SFHVURJKSA-N 0 0 456.970 4.961 20 0 JJADRN Cc1ccc(-n2cc(NCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)cn2)c(C)c1 ZINC001461446049 1067858619 /nfs/dbraw/zinc/85/86/19/1067858619.db2.gz UHEUEWWZOMMKJC-UHFFFAOYSA-N 0 0 451.571 4.751 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448786 1067859455 /nfs/dbraw/zinc/85/94/55/1067859455.db2.gz QRWLOTPLLBMDCL-KBPBESRZSA-N 0 0 459.921 4.745 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461449713 1067859568 /nfs/dbraw/zinc/85/95/68/1067859568.db2.gz UNUIIBDCHWEXBP-KBXCAEBGSA-N 0 0 455.908 4.546 20 0 JJADRN CCCc1c(NCc2ccc(C(=O)N3CCCC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001461460149 1067862336 /nfs/dbraw/zinc/86/23/36/1067862336.db2.gz GZSWCGXJAGFJJY-UHFFFAOYSA-N 0 0 454.521 4.960 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(Cl)c(C)nn3-c3ccccc3)no2)c1 ZINC001461461465 1067862737 /nfs/dbraw/zinc/86/27/37/1067862737.db2.gz COGVOCVWIDRGQZ-UHFFFAOYSA-N 0 0 450.882 4.856 20 0 JJADRN COc1cc(CNCc2ccc(Cl)cc2I)cc(Cl)c1OC ZINC001461464512 1067862798 /nfs/dbraw/zinc/86/27/98/1067862798.db2.gz VRTPAWGURFYMOH-UHFFFAOYSA-N 0 0 452.119 4.905 20 0 JJADRN OC[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1C(F)(F)F ZINC001461465542 1067863596 /nfs/dbraw/zinc/86/35/96/1067863596.db2.gz UVONMZHVGZEPKD-INIZCTEOSA-N 0 0 450.682 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001461470747 1067865690 /nfs/dbraw/zinc/86/56/90/1067865690.db2.gz MNDRPUNTDJHJMC-QPTUXGOLSA-N 0 0 468.569 4.853 20 0 JJADRN CC(=O)N(c1nc(CNc2cc(Br)ccc2CO)cs1)c1ccc(F)cc1 ZINC001461472586 1067866537 /nfs/dbraw/zinc/86/65/37/1067866537.db2.gz NIGCQFKSOOKFCK-UHFFFAOYSA-N 0 0 450.333 4.834 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C2 ZINC001461472364 1067866551 /nfs/dbraw/zinc/86/65/51/1067866551.db2.gz ACLBNVDLYNWAQA-ICDZXHCJSA-N 0 0 464.606 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC001461472425 1067866567 /nfs/dbraw/zinc/86/65/67/1067866567.db2.gz ANBHUHPZYYIFQJ-MDPIYQRISA-N 0 0 456.533 4.978 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001461472854 1067866981 /nfs/dbraw/zinc/86/69/81/1067866981.db2.gz QCOGKLXHGYGDSE-UHFFFAOYSA-N 0 0 455.483 4.658 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc3c2OCC3)cc1 ZINC001461475005 1067867825 /nfs/dbraw/zinc/86/78/25/1067867825.db2.gz IBOOTXPECWBCLQ-GMAHTHKFSA-N 0 0 466.578 4.543 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC001461475218 1067868085 /nfs/dbraw/zinc/86/80/85/1067868085.db2.gz JFTURGXNEROANS-NNWRFLSQSA-N 0 0 468.619 4.794 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)ccn2)C1 ZINC001461475390 1067868129 /nfs/dbraw/zinc/86/81/29/1067868129.db2.gz INHQVDODJSGDMJ-AGILITTLSA-N 0 0 478.637 4.841 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC001461476177 1067868499 /nfs/dbraw/zinc/86/84/99/1067868499.db2.gz LDHIXIQDRMDERK-JHZFPNEFSA-N 0 0 471.985 4.666 20 0 JJADRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001461475546 1067868523 /nfs/dbraw/zinc/86/85/23/1067868523.db2.gz VPWMIAGMTBSUID-CQSZACIVSA-N 0 0 454.380 4.634 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461476845 1067868730 /nfs/dbraw/zinc/86/87/30/1067868730.db2.gz ZOCWYVTZRPYYPG-RUZDIDTESA-N 0 0 458.986 4.645 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c2ccccc2n1 ZINC001461478186 1067869217 /nfs/dbraw/zinc/86/92/17/1067869217.db2.gz PAKRYSGNFNITBQ-AUSIDOKSSA-N 0 0 461.562 4.766 20 0 JJADRN CCC[C@H]1C[C@@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)CCO1 ZINC001461478500 1067869681 /nfs/dbraw/zinc/86/96/81/1067869681.db2.gz QXXFZHLGJABGPM-BIHRQFPBSA-N 0 0 474.642 4.890 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 ZINC001461479046 1067870125 /nfs/dbraw/zinc/87/01/25/1067870125.db2.gz QGZUUIKXYCRAKT-AGILITTLSA-N 0 0 452.595 4.810 20 0 JJADRN COc1cc(-c2ccccc2)ccc1CNc1cnc(N2CCOCC2)c(Br)c1 ZINC001461479099 1067870180 /nfs/dbraw/zinc/87/01/80/1067870180.db2.gz UJQCPEBPUBDYLN-UHFFFAOYSA-N 0 0 454.368 4.968 20 0 JJADRN CCc1nc(C(=O)N[C@@H](C)COc2c(F)cccc2F)nn1-c1c(Cl)cccc1Cl ZINC001461480766 1067870845 /nfs/dbraw/zinc/87/08/45/1067870845.db2.gz VDWCOKJECPDTQX-NSHDSACASA-N 0 0 455.292 4.612 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C)COc2c(F)cccc2F)cc1OC ZINC001461480725 1067870988 /nfs/dbraw/zinc/87/09/88/1067870988.db2.gz UCOARRZUEADYAU-GFCCVEGCSA-N 0 0 458.299 4.722 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CC(F)(F)C(F)F)cc1 ZINC001461481302 1067871019 /nfs/dbraw/zinc/87/10/19/1067871019.db2.gz YPHNAGKOZHAIPX-IRXDYDNUSA-N 0 0 462.484 4.585 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H]2CCO[C@@H](CC)C2)cc1 ZINC001461481621 1067871300 /nfs/dbraw/zinc/87/13/00/1067871300.db2.gz ZVSHGHJSDFEPRQ-NMTNEYKDSA-N 0 0 474.642 4.890 20 0 JJADRN O=S(=O)(Cc1ccccc1)Nc1ccc(NCc2cccc(OCC(F)(F)F)c2)nc1 ZINC001461484350 1067872205 /nfs/dbraw/zinc/87/22/05/1067872205.db2.gz GXFURHOYINNBRE-UHFFFAOYSA-N 0 0 451.470 4.577 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)cc1 ZINC001461487379 1067872981 /nfs/dbraw/zinc/87/29/81/1067872981.db2.gz URTNPDLTHRBTLN-QHCPKHFHSA-N 0 0 457.452 4.759 20 0 JJADRN COc1ccc(NCc2ccc(NC(=O)OC(C)(C)C)nc2)c(I)c1 ZINC001461488504 1067873722 /nfs/dbraw/zinc/87/37/22/1067873722.db2.gz OMUXLFQRQVVDGJ-UHFFFAOYSA-N 0 0 455.296 4.654 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2cccc3c2ccn3C(F)F)c1I ZINC001461490323 1067874007 /nfs/dbraw/zinc/87/40/07/1067874007.db2.gz CKMPEVAQHOIEQW-UHFFFAOYSA-N 0 0 458.250 4.845 20 0 JJADRN Cc1ccc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(-c2cnn(C)c2)c1 ZINC001461489557 1067874057 /nfs/dbraw/zinc/87/40/57/1067874057.db2.gz GYUWNSVWJGJRGT-UHFFFAOYSA-N 0 0 452.624 4.961 20 0 JJADRN CC(=O)NCc1ccc(CNC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)cc1 ZINC001461490740 1067874644 /nfs/dbraw/zinc/87/46/44/1067874644.db2.gz OTANDSXKWHYUIC-UHFFFAOYSA-N 0 0 457.412 4.912 20 0 JJADRN COCCNC(=O)c1ccc(NCc2c(Br)c3ccccc3n2C)cc1Cl ZINC001461494119 1067875382 /nfs/dbraw/zinc/87/53/82/1067875382.db2.gz JWPXZPZBOGCWMH-UHFFFAOYSA-N 0 0 450.764 4.583 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001461498198 1067876835 /nfs/dbraw/zinc/87/68/35/1067876835.db2.gz LVJZPVQVGHUDML-UHFFFAOYSA-N 0 0 456.511 4.994 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(Br)c(OC)c(OC)c2)c2ccccc2)cc1 ZINC001461498225 1067876926 /nfs/dbraw/zinc/87/69/26/1067876926.db2.gz YJZMKSYDPNHAJD-OAQYLSRUSA-N 0 0 456.336 4.994 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3Cc4ccccc4NC(=O)[C@@H]3C)c2)cc1 ZINC001461505952 1067878170 /nfs/dbraw/zinc/87/81/70/1067878170.db2.gz SGKLWTOABNPZKW-FQEVSTJZSA-N 0 0 456.542 4.770 20 0 JJADRN CN1C[C@H](C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)c2ccccc2C1=O ZINC001461505806 1067878233 /nfs/dbraw/zinc/87/82/33/1067878233.db2.gz PCVLWPZCCFXCJU-IBGZPJMESA-N 0 0 456.424 4.532 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001461506465 1067878891 /nfs/dbraw/zinc/87/88/91/1067878891.db2.gz KKLSQTPMOQBZAN-OAQYLSRUSA-N 0 0 458.562 4.938 20 0 JJADRN Cc1c(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cnn1-c1cccc(C(F)(F)F)c1 ZINC001461509753 1067879032 /nfs/dbraw/zinc/87/90/32/1067879032.db2.gz OMDJYRAIUIXTOB-UHFFFAOYSA-N 0 0 456.399 4.742 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)c(F)c1 ZINC001461515897 1067879918 /nfs/dbraw/zinc/87/99/18/1067879918.db2.gz LXFZKZFLSYBIAU-GOSISDBHSA-N 0 0 456.967 4.801 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H](C)C(C)(C)CC)nnc2-c2ccncc2)cc1 ZINC001461519423 1067880522 /nfs/dbraw/zinc/88/05/22/1067880522.db2.gz DZFAJJNLOCTVOS-KRWDZBQOSA-N 0 0 453.612 4.761 20 0 JJADRN Cc1cc(Br)ccc1[C@H](OC(=O)c1cnn(C)c1Br)C(F)(F)F ZINC001461531491 1067882418 /nfs/dbraw/zinc/88/24/18/1067882418.db2.gz WXHNMLQATIXUCU-NSHDSACASA-N 0 0 456.056 4.714 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)n1 ZINC001461534437 1067883387 /nfs/dbraw/zinc/88/33/87/1067883387.db2.gz DZNGETGEPLCMNN-UHFFFAOYSA-N 0 0 452.849 4.654 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNCc3ncc(Br)cc3F)ccc21 ZINC001461536828 1067883768 /nfs/dbraw/zinc/88/37/68/1067883768.db2.gz IBUCKXKUBZUNSC-UHFFFAOYSA-N 0 0 450.352 4.961 20 0 JJADRN O=C(Nc1c(Br)ncc2ccccc21)c1cc(Br)c2nccnc2c1 ZINC001461555729 1067887448 /nfs/dbraw/zinc/88/74/48/1067887448.db2.gz XBQQSFRXLBUCSJ-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN O=C(c1ccc(NCc2ccc(-c3cccc(Br)c3)o2)cc1)N1CCC(O)CC1 ZINC001461558042 1067888118 /nfs/dbraw/zinc/88/81/18/1067888118.db2.gz IOEAFKRNVVWAFK-UHFFFAOYSA-N 0 0 455.352 4.918 20 0 JJADRN COc1cc(Cl)c(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC001461562057 1067888464 /nfs/dbraw/zinc/88/84/64/1067888464.db2.gz YNUYSIAKHCKZKN-UHFFFAOYSA-N 0 0 459.395 4.797 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@H](C(N)=O)C2)CCC1 ZINC001546125324 1067888815 /nfs/dbraw/zinc/88/88/15/1067888815.db2.gz BRXPWHRTZGBMPU-MSOLQXFVSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNc1ccc(C(=O)NC2CCOCC2)cc1 ZINC001461563098 1067888878 /nfs/dbraw/zinc/88/88/78/1067888878.db2.gz BDOXRZSPIWFULG-UHFFFAOYSA-N 0 0 452.986 4.972 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC001461564867 1067889722 /nfs/dbraw/zinc/88/97/22/1067889722.db2.gz PHWWEGCWXPFFFP-UHFFFAOYSA-N 0 0 456.995 4.718 20 0 JJADRN COc1cc(CNCc2nnc(C(C)(C)C)[nH]2)cc(Br)c1OCc1ccccc1 ZINC001461566841 1067890439 /nfs/dbraw/zinc/89/04/39/1067890439.db2.gz VZODQVJJCKBGKG-UHFFFAOYSA-N 0 0 459.388 4.742 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC001461574934 1067891508 /nfs/dbraw/zinc/89/15/08/1067891508.db2.gz CWGBCACKVICEAY-UHFFFAOYSA-N 0 0 458.027 4.962 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCC1 ZINC001546125452 1067893123 /nfs/dbraw/zinc/89/31/23/1067893123.db2.gz FEMUMZXPLUORAK-IBGZPJMESA-N 0 0 471.621 4.879 20 0 JJADRN COc1cc(OC)c2c(c1)N(C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)CCC2 ZINC001461579310 1067893217 /nfs/dbraw/zinc/89/32/17/1067893217.db2.gz QJTYLJLCXYXVLB-UHFFFAOYSA-N 0 0 458.558 4.669 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CCC1 ZINC001546125472 1067893638 /nfs/dbraw/zinc/89/36/38/1067893638.db2.gz FOIIECVKBQFKDT-PMACEKPBSA-N 0 0 471.621 4.879 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)nc1 ZINC001461588924 1067895410 /nfs/dbraw/zinc/89/54/10/1067895410.db2.gz UUCJTRLTHRWPOU-UHFFFAOYSA-N 0 0 451.567 4.968 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C12CCC2 ZINC001461592343 1067896543 /nfs/dbraw/zinc/89/65/43/1067896543.db2.gz BJQQCRXAOGGUHY-IPMKNSEASA-N 0 0 453.410 4.841 20 0 JJADRN O=C(c1cccc(OCc2cccnc2)c1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461597089 1067897658 /nfs/dbraw/zinc/89/76/58/1067897658.db2.gz PZZPQUNJTHIHAZ-QFIPXVFZSA-N 0 0 453.336 4.637 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)CC2 ZINC001461600430 1067899009 /nfs/dbraw/zinc/89/90/09/1067899009.db2.gz LDNLGVOQLDIQFP-QHCPKHFHSA-N 0 0 455.432 4.596 20 0 JJADRN COc1c(Br)cc(Br)cc1CNc1ccc(-n2nncc2C)cc1 ZINC001461600445 1067899265 /nfs/dbraw/zinc/89/92/65/1067899265.db2.gz PURKSXOFIGKNDA-UHFFFAOYSA-N 0 0 452.150 4.721 20 0 JJADRN CN(C)C(=O)CNC(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)cc1Cl ZINC001461604020 1067899787 /nfs/dbraw/zinc/89/97/87/1067899787.db2.gz LYZUYPMJNUGIAC-UHFFFAOYSA-N 0 0 453.995 4.921 20 0 JJADRN CCCOc1c(Br)cc(Br)cc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC001461604615 1067899944 /nfs/dbraw/zinc/89/99/44/1067899944.db2.gz HFWCZUDSEOWRHJ-ROUUACIJSA-N 0 0 455.190 4.748 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C12CCC2 ZINC001461606790 1067900341 /nfs/dbraw/zinc/90/03/41/1067900341.db2.gz WWKBGXDTXNRUDE-HUUCEWRRSA-N 0 0 456.896 4.796 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)cs1 ZINC001461609601 1067900750 /nfs/dbraw/zinc/90/07/50/1067900750.db2.gz RRJOESBTCZBNNZ-UHFFFAOYSA-N 0 0 450.536 4.634 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N3C[C@@H](c4cccc(Cl)c4)OCC3(C)C)cnc21 ZINC001461609729 1067900818 /nfs/dbraw/zinc/90/08/18/1067900818.db2.gz WCWHRHHNOVDXHP-INIZCTEOSA-N 0 0 452.864 4.633 20 0 JJADRN CS(=O)(=O)C1(CNC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCCCC1 ZINC001461612228 1067901553 /nfs/dbraw/zinc/90/15/53/1067901553.db2.gz UBBJIYXORNJWPC-UHFFFAOYSA-N 0 0 457.379 4.658 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CCCC1 ZINC001546125706 1067901564 /nfs/dbraw/zinc/90/15/64/1067901564.db2.gz JRRBFCMWMJWTDA-QFQXNSOFSA-N 0 0 467.658 4.968 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001546125712 1067901622 /nfs/dbraw/zinc/90/16/22/1067901622.db2.gz JTSZHYKALWLSGI-DLBZAZTESA-N 0 0 469.527 4.820 20 0 JJADRN CCOc1ccc(Cl)cc1CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC001461613064 1067901852 /nfs/dbraw/zinc/90/18/52/1067901852.db2.gz MWNRCFKRZUHSKJ-UHFFFAOYSA-N 0 0 452.020 4.591 20 0 JJADRN C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612813 1067901876 /nfs/dbraw/zinc/90/18/76/1067901876.db2.gz LTRCXBGZHQUURU-NFBKMPQASA-N 0 0 456.030 4.752 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC001461617468 1067902642 /nfs/dbraw/zinc/90/26/42/1067902642.db2.gz YFXAORUMCLOWQJ-UHFFFAOYSA-N 0 0 457.271 4.931 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)c1nc2cc(Br)ccc2s1 ZINC001461622360 1067903305 /nfs/dbraw/zinc/90/33/05/1067903305.db2.gz OBCJPVNSYUICGR-SFHVURJKSA-N 0 0 458.381 4.558 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001461624446 1067904121 /nfs/dbraw/zinc/90/41/21/1067904121.db2.gz VPHHPQDRXLWPMC-FXAWDEMLSA-N 0 0 467.418 4.844 20 0 JJADRN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNc1cccc(CN2CCCS2(=O)=O)c1 ZINC001461625862 1067904329 /nfs/dbraw/zinc/90/43/29/1067904329.db2.gz GUOJRBDFISPYJC-UHFFFAOYSA-N 0 0 459.015 4.599 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1ccc(Br)c2ncccc12 ZINC001461625567 1067904529 /nfs/dbraw/zinc/90/45/29/1067904529.db2.gz CUDPUZOGLWLYBQ-UHFFFAOYSA-N 0 0 454.093 4.916 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc(Br)c2ncccc12 ZINC001461628250 1067905323 /nfs/dbraw/zinc/90/53/23/1067905323.db2.gz WGHBBKWLLHUADQ-UHFFFAOYSA-N 0 0 459.321 4.540 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001461632437 1067905989 /nfs/dbraw/zinc/90/59/89/1067905989.db2.gz MPHNGDFVVQQKCX-UHFFFAOYSA-N 0 0 454.155 4.634 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)CCSc2ccccc2Br)cc1F ZINC001461640254 1067907663 /nfs/dbraw/zinc/90/76/63/1067907663.db2.gz VRBJHTHKROAKMQ-LBPRGKRZSA-N 0 0 456.333 4.649 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2=O ZINC001461643976 1067908112 /nfs/dbraw/zinc/90/81/12/1067908112.db2.gz RSEVELVVMFNCEK-UHFFFAOYSA-N 0 0 459.930 4.576 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)=O)CC2)CCCC1 ZINC001546125980 1067909359 /nfs/dbraw/zinc/90/93/59/1067909359.db2.gz OUGWVSJKNLGYID-GOSISDBHSA-N 0 0 460.022 4.710 20 0 JJADRN COc1ccc(-n2c(SCC(=O)NC[C@@]3(C)CC3(F)F)nnc2-c2ccc(C)cc2)cc1 ZINC001461648183 1067909434 /nfs/dbraw/zinc/90/94/34/1067909434.db2.gz JKSMKLHFOQSTNP-JOCHJYFZSA-N 0 0 458.534 4.505 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461649477 1067909440 /nfs/dbraw/zinc/90/94/40/1067909440.db2.gz OYVMPUYFUVBZCM-ACIOBRDBSA-N 0 0 458.719 4.706 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCCc2nnc(-c3ccccc3)o2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461649961 1067909762 /nfs/dbraw/zinc/90/97/62/1067909762.db2.gz AECNHIHZTYRIMR-TZIWHRDSSA-N 0 0 470.614 4.991 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F)N1Cc2ccccc2C1=O ZINC001461654923 1067911305 /nfs/dbraw/zinc/91/13/05/1067911305.db2.gz IOKCXONNXQOJQX-BUXKBTBVSA-N 0 0 451.311 4.585 20 0 JJADRN Cc1cc(Br)c(CNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)s1 ZINC001461657021 1067911644 /nfs/dbraw/zinc/91/16/44/1067911644.db2.gz RNWLNECUXHEDIJ-KRWDZBQOSA-N 0 0 453.402 4.776 20 0 JJADRN COc1ccnc(CNC(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)c1F ZINC001461659713 1067912215 /nfs/dbraw/zinc/91/22/15/1067912215.db2.gz XIQAPBUZIKNJQI-UHFFFAOYSA-N 0 0 450.901 4.974 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCN1C(=O)OC(C)(C)C ZINC001461660910 1067912501 /nfs/dbraw/zinc/91/25/01/1067912501.db2.gz VMSAPGCLTAZDFE-DLBZAZTESA-N 0 0 458.580 4.704 20 0 JJADRN C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1cc(F)c(Br)cc1F ZINC001461660951 1067912528 /nfs/dbraw/zinc/91/25/28/1067912528.db2.gz XXHKNLFGKUXOFR-JTQLQIEISA-N 0 0 457.702 4.999 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461660476 1067912578 /nfs/dbraw/zinc/91/25/78/1067912578.db2.gz NBIWTVNKCMUCPR-UXEPBGEESA-N 0 0 460.315 4.981 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCCc3cccc4c3OC(F)(F)O4)s2)c(F)c1 ZINC001461664894 1067913864 /nfs/dbraw/zinc/91/38/64/1067913864.db2.gz XWSGYHJKAPOBMU-UHFFFAOYSA-N 0 0 450.438 4.560 20 0 JJADRN Cc1cccc(CNc2ccc(N3CC[C@H](CO)C3)c(Br)c2)c1Br ZINC001461665224 1067913936 /nfs/dbraw/zinc/91/39/36/1067913936.db2.gz BULLEULAVWUCIQ-AWEZNQCLSA-N 0 0 454.206 4.951 20 0 JJADRN Cn1cc(NC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c(-c2ccco2)n1 ZINC001461667405 1067914192 /nfs/dbraw/zinc/91/41/92/1067914192.db2.gz JWWWNKDCEBCUHB-GOSISDBHSA-N 0 0 450.539 4.877 20 0 JJADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCC=C(c3ccccc3)C2)CCOCC1 ZINC001546126116 1067914262 /nfs/dbraw/zinc/91/42/62/1067914262.db2.gz RCTAJCJRPPEYAG-NRFANRHFSA-N 0 0 454.615 4.503 20 0 JJADRN COc1ccc(-c2n[nH]cc2CNc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001461678228 1067916379 /nfs/dbraw/zinc/91/63/79/1067916379.db2.gz XNNNKWLDQLGXGU-UHFFFAOYSA-N 0 0 450.539 4.827 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677355 1067916420 /nfs/dbraw/zinc/91/64/20/1067916420.db2.gz LEVUTIHTNZCQOL-IBGZPJMESA-N 0 0 459.468 4.682 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC001546126227 1067917031 /nfs/dbraw/zinc/91/70/31/1067917031.db2.gz SYNKTEQVIBCUDI-YJBOKZPZSA-N 0 0 456.484 4.905 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C)cc1 ZINC001461682564 1067917335 /nfs/dbraw/zinc/91/73/35/1067917335.db2.gz CYNLHLMDTJDEGL-DHIUTWEWSA-N 0 0 451.567 4.713 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)OCc1cccc(F)c1OC(F)F)c1ccc(F)cc1 ZINC001461693211 1067919650 /nfs/dbraw/zinc/91/96/50/1067919650.db2.gz POQSZZLWCRDALJ-INIZCTEOSA-N 0 0 457.420 4.918 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2cccc(F)c2OC(F)F)cc1 ZINC001461694283 1067919923 /nfs/dbraw/zinc/91/99/23/1067919923.db2.gz SEUQJBCPCXONGM-UHFFFAOYSA-N 0 0 454.404 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461694623 1067920016 /nfs/dbraw/zinc/92/00/16/1067920016.db2.gz ZUVNGEKZCRSDPE-KRWDZBQOSA-N 0 0 451.974 4.575 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001461706499 1067922303 /nfs/dbraw/zinc/92/23/03/1067922303.db2.gz RRGPKSIRICWANN-HSZRJFAPSA-N 0 0 450.579 4.640 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(Br)ncc1Cl ZINC001461707947 1067922831 /nfs/dbraw/zinc/92/28/31/1067922831.db2.gz AJVMENNLHLHYLC-KRWDZBQOSA-N 0 0 451.748 4.579 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)c(OC)c1 ZINC001461709889 1067923170 /nfs/dbraw/zinc/92/31/70/1067923170.db2.gz BCOIHEAYAPPGMT-UHFFFAOYSA-N 0 0 455.308 4.862 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001461713996 1067923639 /nfs/dbraw/zinc/92/36/39/1067923639.db2.gz BQZVUEVCWGMPHY-URXFXBBRSA-N 0 0 475.699 4.748 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cc(OC)ccc2F)cc1 ZINC001461714445 1067923684 /nfs/dbraw/zinc/92/36/84/1067923684.db2.gz JYXVPYRAFPQRKW-UHFFFAOYSA-N 0 0 459.564 4.709 20 0 JJADRN COc1cc(Br)cc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)c1 ZINC001461717651 1067923967 /nfs/dbraw/zinc/92/39/67/1067923967.db2.gz HKGNFPJYVYZQDM-GFCCVEGCSA-N 0 0 452.732 4.973 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1F ZINC001461716094 1067923998 /nfs/dbraw/zinc/92/39/98/1067923998.db2.gz OATMRBMSPGXQDG-IERDGZPVSA-N 0 0 459.359 4.833 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001461717829 1067924029 /nfs/dbraw/zinc/92/40/29/1067924029.db2.gz GVMLPWHINFEISD-JOCHJYFZSA-N 0 0 453.526 4.665 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1F ZINC001461716123 1067924128 /nfs/dbraw/zinc/92/41/28/1067924128.db2.gz OATMRBMSPGXQDG-IIBYNOLFSA-N 0 0 459.359 4.833 20 0 JJADRN COc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC001461717945 1067924499 /nfs/dbraw/zinc/92/44/99/1067924499.db2.gz OUZRCVTUHMRNOT-KPZWWZAWSA-N 0 0 459.276 4.762 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001461717853 1067924524 /nfs/dbraw/zinc/92/45/24/1067924524.db2.gz GVMLPWHINFEISD-QFIPXVFZSA-N 0 0 453.526 4.665 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)o1 ZINC001461718368 1067924901 /nfs/dbraw/zinc/92/49/01/1067924901.db2.gz WTGJDQUUTIVMEH-FYEXEBAFSA-N 0 0 453.535 4.716 20 0 JJADRN COc1cc2ccc(NC(=O)C(C)(C)n3ccc(NC(=O)OC(C)(C)C)n3)cc2cc1OC ZINC001461720897 1067925155 /nfs/dbraw/zinc/92/51/55/1067925155.db2.gz KQLRJTJDIFTYQN-UHFFFAOYSA-N 0 0 454.527 4.774 20 0 JJADRN COc1ccc(F)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001461721230 1067925165 /nfs/dbraw/zinc/92/51/65/1067925165.db2.gz RXFQXMJRKIQHRM-SFHVURJKSA-N 0 0 456.436 4.735 20 0 JJADRN COc1cc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2cc1OC ZINC001461723976 1067925926 /nfs/dbraw/zinc/92/59/26/1067925926.db2.gz RZFXRLVPPMRBGJ-UHFFFAOYSA-N 0 0 451.500 4.676 20 0 JJADRN Cc1cn(C(C)(C)C(=O)NCC(F)(F)c2ccc(Br)cc2)nc1C(F)(F)F ZINC001461726018 1067926674 /nfs/dbraw/zinc/92/66/74/1067926674.db2.gz BXZLOIOHIZNIAB-UHFFFAOYSA-N 0 0 454.237 4.616 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Br)cc1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001461725961 1067926690 /nfs/dbraw/zinc/92/66/90/1067926690.db2.gz BJJBWRLPJKJHMY-UHFFFAOYSA-N 0 0 452.221 4.523 20 0 JJADRN COc1cc2ccc(NC(=O)c3ccc(I)c(F)c3)cc2cc1OC ZINC001461725571 1067926709 /nfs/dbraw/zinc/92/67/09/1067926709.db2.gz YJXZZHIOOADBHH-UHFFFAOYSA-N 0 0 451.235 4.853 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2ccc3nccn3c2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461726453 1067926710 /nfs/dbraw/zinc/92/67/10/1067926710.db2.gz GIEPOTXPJKETGB-UHFFFAOYSA-N 0 0 454.408 4.623 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCc2cnc(Cl)c(C)c2)c1 ZINC001461730915 1067926883 /nfs/dbraw/zinc/92/68/83/1067926883.db2.gz WFMNYPJEEZWHCZ-UHFFFAOYSA-N 0 0 451.036 4.676 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@]2(C)CC2(C)C)n1-c1ccccc1 ZINC001461729586 1067926913 /nfs/dbraw/zinc/92/69/13/1067926913.db2.gz PXTOYYKXLKCSPX-VWLOTQADSA-N 0 0 450.608 4.860 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001461734169 1067927391 /nfs/dbraw/zinc/92/73/91/1067927391.db2.gz AIMKMQZBBRYJLJ-ONTIZHBOSA-N 0 0 452.599 4.686 20 0 JJADRN Cc1cc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001461736284 1067927747 /nfs/dbraw/zinc/92/77/47/1067927747.db2.gz PVMUQQIZLUOCSJ-NRFANRHFSA-N 0 0 453.370 4.617 20 0 JJADRN O=S(=O)(NC1CCC(O)CC1)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 ZINC001461738080 1067928128 /nfs/dbraw/zinc/92/81/28/1067928128.db2.gz RDMFAWIZEVDYDM-UHFFFAOYSA-N 0 0 452.576 4.673 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccc(C)cc2)C(C)(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001461738817 1067928137 /nfs/dbraw/zinc/92/81/37/1067928137.db2.gz IPKYHMRCISBIGP-UHFFFAOYSA-N 0 0 458.624 4.665 20 0 JJADRN COc1cc(NCc2cnc(-c3ccc(C)c(C)c3)s2)ccc1S(=O)(=O)N1CCCC1 ZINC001461741130 1067928517 /nfs/dbraw/zinc/92/85/17/1067928517.db2.gz DPTTUBAZHCMCGU-UHFFFAOYSA-N 0 0 457.621 4.832 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](OC)c2cccc(OC)c2)c1 ZINC001461743744 1067929223 /nfs/dbraw/zinc/92/92/23/1067929223.db2.gz HVJKJYQRKOHRNQ-VWLOTQADSA-N 0 0 457.530 4.674 20 0 JJADRN Cc1c(Br)cc(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)c(=O)n1C ZINC001461746022 1067929561 /nfs/dbraw/zinc/92/95/61/1067929561.db2.gz KGXYPHOKROQYDJ-XMMPIXPASA-N 0 0 453.380 4.847 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC001461749488 1067930233 /nfs/dbraw/zinc/93/02/33/1067930233.db2.gz CGQMIFCOSCXJMT-UHFFFAOYSA-N 0 0 452.624 4.830 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)/C=C\c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC001461752546 1067930616 /nfs/dbraw/zinc/93/06/16/1067930616.db2.gz DCWXXTURZHDQMP-KMKOMSMNSA-N 0 0 455.341 4.854 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC001461752764 1067930650 /nfs/dbraw/zinc/93/06/50/1067930650.db2.gz GPVDIGGFDFHBGQ-LEWJYISDSA-N 0 0 469.368 4.944 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cn2c(Br)cnc2s1 ZINC001461754385 1067930896 /nfs/dbraw/zinc/93/08/96/1067930896.db2.gz KIAQKEBILODJIW-LBPRGKRZSA-N 0 0 457.191 4.672 20 0 JJADRN Cc1ccc(-c2nc(CNc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cs2)cc1 ZINC001461756970 1067931407 /nfs/dbraw/zinc/93/14/07/1067931407.db2.gz RTFTZQZZJRXACP-QZTJIDSGSA-N 0 0 457.621 4.529 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC[C@]3(c4ccccc4)CC3(C)C)cc2)c1C ZINC001461758618 1067931842 /nfs/dbraw/zinc/93/18/42/1067931842.db2.gz LFHLXBAAZIEKBH-NDEPHWFRSA-N 0 0 459.590 4.692 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)CC(F)(F)F ZINC001461768020 1067933048 /nfs/dbraw/zinc/93/30/48/1067933048.db2.gz VWQPUAVLQGEQKB-CVEARBPZSA-N 0 0 450.473 4.644 20 0 JJADRN O=C(Nc1nc2cc(I)ccc2[nH]1)c1cc2c(cncc2Cl)s1 ZINC001461771490 1067933925 /nfs/dbraw/zinc/93/39/25/1067933925.db2.gz KLFQXYFTDTUWNB-UHFFFAOYSA-N 0 0 454.680 4.683 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(F)c(Br)c1F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461772328 1067934235 /nfs/dbraw/zinc/93/42/35/1067934235.db2.gz IBCSFPODMJVMTQ-ZDUSSCGKSA-N 0 0 456.678 4.624 20 0 JJADRN Cc1cc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)ccc1NC(=O)OC(C)(C)C ZINC001461772776 1067934505 /nfs/dbraw/zinc/93/45/05/1067934505.db2.gz YCMOFCPWRLIBKP-UHFFFAOYSA-N 0 0 450.539 4.697 20 0 JJADRN O=C(Nc1nc2cc(I)ccc2[nH]1)c1ccccc1CCC(F)(F)F ZINC001461773209 1067934568 /nfs/dbraw/zinc/93/45/68/1067934568.db2.gz RDCBFBYMYOFMCS-UHFFFAOYSA-N 0 0 459.209 4.915 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC001461780987 1067936067 /nfs/dbraw/zinc/93/60/67/1067936067.db2.gz VCLRSWPOJCGBNZ-MRXNPFEDSA-N 0 0 459.713 4.811 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(=O)[nH]cc2Br)c1 ZINC001546127063 1067936891 /nfs/dbraw/zinc/93/68/91/1067936891.db2.gz LYQMKSCKTLJJMV-XMSQKQJNSA-N 0 0 453.336 4.929 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)c(F)c1 ZINC001461786457 1067937281 /nfs/dbraw/zinc/93/72/81/1067937281.db2.gz ONMBLOKIFUBAFB-SFHVURJKSA-N 0 0 450.348 4.896 20 0 JJADRN COCCOCCOc1ccc(NCc2cc3cc(Cl)cnc3o2)cc1Br ZINC001461789440 1067937589 /nfs/dbraw/zinc/93/75/89/1067937589.db2.gz KABOKFCFLZRNLP-UHFFFAOYSA-N 0 0 455.736 4.898 20 0 JJADRN O=C(NCC/C=C/c1ccc(Br)cc1)c1cc2c(cc1Br)OCO2 ZINC001461792399 1067937841 /nfs/dbraw/zinc/93/78/41/1067937841.db2.gz BPUBQFJVMXJHEF-HNQUOIGGSA-N 0 0 453.130 4.774 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)NCC/C=C/c3ccc(Br)cc3)c21 ZINC001461793442 1067938154 /nfs/dbraw/zinc/93/81/54/1067938154.db2.gz CUGPFOVQOUCWSL-DUXPYHPUSA-N 0 0 453.262 4.583 20 0 JJADRN NC(=O)c1cccc2c1CCN(C(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)C2 ZINC001461795468 1067938170 /nfs/dbraw/zinc/93/81/70/1067938170.db2.gz GYOJNNXYPYUFBB-UHFFFAOYSA-N 0 0 455.341 4.870 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC001461795262 1067938229 /nfs/dbraw/zinc/93/82/29/1067938229.db2.gz ADIVAFZULUFKIT-UHFFFAOYSA-N 0 0 451.935 4.670 20 0 JJADRN CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461793957 1067938253 /nfs/dbraw/zinc/93/82/53/1067938253.db2.gz FXEKVNMASNCHGE-GOSISDBHSA-N 0 0 458.452 4.932 20 0 JJADRN COc1ccc(Br)cc1OC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC001461797711 1067938652 /nfs/dbraw/zinc/93/86/52/1067938652.db2.gz VJVCQHWFOSBLKE-UHFFFAOYSA-N 0 0 452.102 4.625 20 0 JJADRN NC(=O)c1cccc2c1CCN(C(=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1)C2 ZINC001461795597 1067938710 /nfs/dbraw/zinc/93/87/10/1067938710.db2.gz HTINZHDCZPXEML-QFIPXVFZSA-N 0 0 455.341 4.797 20 0 JJADRN CCCn1nc(C)c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)c1C ZINC001461803131 1067939296 /nfs/dbraw/zinc/93/92/96/1067939296.db2.gz FVVMIFNFUAWPKX-UHFFFAOYSA-N 0 0 455.194 4.633 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCc2cc(Br)c(Br)cc2C1)c1cccnc1 ZINC001461803182 1067939302 /nfs/dbraw/zinc/93/93/02/1067939302.db2.gz GCCDWBWUDRSZQM-GOSISDBHSA-N 0 0 452.190 4.931 20 0 JJADRN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1ccc(Oc2cccnn2)cc1 ZINC001461809292 1067940572 /nfs/dbraw/zinc/94/05/72/1067940572.db2.gz ZUFMGMYCQBBNCE-UHFFFAOYSA-N 0 0 452.514 4.893 20 0 JJADRN CCOc1cc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461825313 1067942403 /nfs/dbraw/zinc/94/24/03/1067942403.db2.gz YMROUFZZHPILFP-HHHXNRCGSA-N 0 0 450.579 4.532 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccc(OC)n3)C(F)(F)F)CC2=O)cc1 ZINC001461824671 1067942428 /nfs/dbraw/zinc/94/24/28/1067942428.db2.gz ABPDKHMWJPQTKA-KKSFZXQISA-N 0 0 450.457 4.633 20 0 JJADRN CCOC(=O)c1nc(NC(=O)[C@H](SCc2ccccc2)C(C)C)sc1Br ZINC001461824550 1067942565 /nfs/dbraw/zinc/94/25/65/1067942565.db2.gz CWUGMIBSHYCWSJ-CQSZACIVSA-N 0 0 457.415 4.979 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@@H](c2cccc(OC)n2)C(F)(F)F)CC1=O ZINC001461829026 1067942839 /nfs/dbraw/zinc/94/28/39/1067942839.db2.gz HTLUILOCFOUGQV-ZSDSOXJFSA-N 0 0 450.457 4.803 20 0 JJADRN COc1cccc([C@H](OC(=O)c2cc(Cl)c(Br)cc2OC)C(F)(F)F)n1 ZINC001461831113 1067943255 /nfs/dbraw/zinc/94/32/55/1067943255.db2.gz NDERQRMXBHNNFA-AWEZNQCLSA-N 0 0 454.626 4.975 20 0 JJADRN CSCCCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1cccnc1 ZINC001461832314 1067943686 /nfs/dbraw/zinc/94/36/86/1067943686.db2.gz IVCITPFNZKXVFG-PMACEKPBSA-N 0 0 455.624 4.650 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001461834747 1067944008 /nfs/dbraw/zinc/94/40/08/1067944008.db2.gz LCHZKFVNRNRAOK-IBGZPJMESA-N 0 0 458.521 4.716 20 0 JJADRN O[C@@](CNCc1csc(-c2ccc3c(c2)OCO3)n1)(c1ccccc1Cl)C(F)(F)F ZINC001461836561 1067944675 /nfs/dbraw/zinc/94/46/75/1067944675.db2.gz GKPPPFWVVSLAJD-IBGZPJMESA-N 0 0 456.873 4.732 20 0 JJADRN Cc1c(=O)n(C)c2ccccc2c1C(=O)Nc1cc(Br)cc(Br)c1 ZINC001461841787 1067944916 /nfs/dbraw/zinc/94/49/16/1067944916.db2.gz DIMZJPPKTGNKCM-UHFFFAOYSA-N 0 0 450.130 4.624 20 0 JJADRN CC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2s1 ZINC001461840864 1067945032 /nfs/dbraw/zinc/94/50/32/1067945032.db2.gz CBBGMPKETJOTSH-UHFFFAOYSA-N 0 0 450.585 4.935 20 0 JJADRN C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C1CCC(F)CC1 ZINC001461845793 1067945750 /nfs/dbraw/zinc/94/57/50/1067945750.db2.gz LJMVXSDCMPLAAA-GTPINHCMSA-N 0 0 458.555 4.793 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cc(Br)cc(Br)c2)c1 ZINC001461846920 1067945782 /nfs/dbraw/zinc/94/57/82/1067945782.db2.gz WIKIMAULTTWRHS-GOEBONIOSA-N 0 0 455.146 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCc2cc(F)ccc2OC(F)F)C1 ZINC001461847083 1067945863 /nfs/dbraw/zinc/94/58/63/1067945863.db2.gz XIZRZCGHDWVMCU-UHFFFAOYSA-N 0 0 450.457 4.650 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)C(=O)c1cnn(-c2ccccc2)c1 ZINC001461850876 1067946716 /nfs/dbraw/zinc/94/67/16/1067946716.db2.gz GXYONDIPSKZNKY-UHFFFAOYSA-N 0 0 453.321 4.580 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001461850840 1067946739 /nfs/dbraw/zinc/94/67/39/1067946739.db2.gz GHLZJAJBQCCSIC-MRXNPFEDSA-N 0 0 456.365 4.673 20 0 JJADRN C[C@@H](CC(=O)Nc1csc(-c2ccc(Br)cc2)n1)NC(=O)C1CCCCC1 ZINC001461852008 1067947139 /nfs/dbraw/zinc/94/71/39/1067947139.db2.gz LPIUWSJGZVNLJV-ZDUSSCGKSA-N 0 0 450.402 4.986 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N3CC(C)(C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461853057 1067947370 /nfs/dbraw/zinc/94/73/70/1067947370.db2.gz OLFDDSXCSMOMJD-INIZCTEOSA-N 0 0 457.368 4.569 20 0 JJADRN CC(C)[C@H](C(=O)N1CC(C)(C)Oc2cc(Br)ccc21)N1Cc2ccccc2C1=O ZINC001461853323 1067947480 /nfs/dbraw/zinc/94/74/80/1067947480.db2.gz MFADHXGKHLOAEH-HXUWFJFHSA-N 0 0 457.368 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCSc1ccc(Br)cc1 ZINC001461854950 1067948187 /nfs/dbraw/zinc/94/81/87/1067948187.db2.gz ZWAQNJFKAQVRGD-IYBDPMFKSA-N 0 0 455.418 4.542 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)Nc3csc(-c4ccc(Br)cc4)n3)C2)c1 ZINC001461855714 1067948193 /nfs/dbraw/zinc/94/81/93/1067948193.db2.gz ZGABXRQDPGZMDA-KRWDZBQOSA-N 0 0 458.337 4.713 20 0 JJADRN C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC(C)(C)C1 ZINC001461859209 1067948820 /nfs/dbraw/zinc/94/88/20/1067948820.db2.gz QIWDQCBUEFCSSD-HIFRSBDPSA-N 0 0 478.474 4.669 20 0 JJADRN C[C@@H]1C[C@H](OC(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001461859310 1067948848 /nfs/dbraw/zinc/94/88/48/1067948848.db2.gz RFLWHAOVNGLDFA-WSTLGDPDSA-N 0 0 471.457 4.801 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)cc1 ZINC001461862821 1067949784 /nfs/dbraw/zinc/94/97/84/1067949784.db2.gz DBKXXBZDMOMIPA-HOTGVXAUSA-N 0 0 452.942 4.704 20 0 JJADRN CCOc1cc(CN2CCc3c(F)ccc(F)c3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461868906 1067950418 /nfs/dbraw/zinc/95/04/18/1067950418.db2.gz CVTYXTHLQQPPDO-UHFFFAOYSA-N 0 0 457.473 4.880 20 0 JJADRN COC(=O)c1cc(Br)oc1CN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866593 1067950611 /nfs/dbraw/zinc/95/06/11/1067950611.db2.gz NDXZADGWHFTTQX-ZDUSSCGKSA-N 0 0 456.764 4.945 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1nccc2c(Br)cccc21)c1ccccc1 ZINC001461867900 1067950895 /nfs/dbraw/zinc/95/08/95/1067950895.db2.gz KDNKDKBWNCVKII-QHCPKHFHSA-N 0 0 455.352 4.984 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CN(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC001461871868 1067951806 /nfs/dbraw/zinc/95/18/06/1067951806.db2.gz HUQVIOGIWDHRNQ-UHFFFAOYSA-N 0 0 455.562 4.658 20 0 JJADRN COc1cc(Br)cc(C(=O)N2[C@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461872086 1067952142 /nfs/dbraw/zinc/95/21/42/1067952142.db2.gz ZMRBZMFCXULSSE-VBQJREDUSA-N 0 0 455.393 4.612 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)CCc2cccc(Br)c2)[C@@H]1C ZINC001461875726 1067952502 /nfs/dbraw/zinc/95/25/02/1067952502.db2.gz JGIHXZZLZDGALR-GPMSIDNRSA-N 0 0 453.421 4.922 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cccc(NC(=O)c3ccco3)c2)[C@@H]1C ZINC001461875871 1067952558 /nfs/dbraw/zinc/95/25/58/1067952558.db2.gz KXTMWUVLEYONCI-MBOZVWFJSA-N 0 0 455.555 4.686 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)CCc2cccc(Br)c2)[C@@H]1C ZINC001461875730 1067952564 /nfs/dbraw/zinc/95/25/64/1067952564.db2.gz JGIHXZZLZDGALR-MDZRGWNJSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001461876782 1067952955 /nfs/dbraw/zinc/95/29/55/1067952955.db2.gz YRSZQWMXNACNHO-INIZCTEOSA-N 0 0 452.580 4.810 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)OCc1cc(C)ccc1Br ZINC001461881682 1067953726 /nfs/dbraw/zinc/95/37/26/1067953726.db2.gz FWJRWVXIJBBGME-VGOFRKELSA-N 0 0 471.351 4.773 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)s1 ZINC001461883810 1067954165 /nfs/dbraw/zinc/95/41/65/1067954165.db2.gz KMRVNNMOOCVACB-MRXNPFEDSA-N 0 0 456.568 4.631 20 0 JJADRN COc1cc(Br)ccc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC001461884477 1067954575 /nfs/dbraw/zinc/95/45/75/1067954575.db2.gz UFIQXFUWVWGKLH-UHFFFAOYSA-N 0 0 456.127 4.906 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCC2([C@H]3CCCCO3)CCC2)[C@H]1c1ccc(OC)cc1 ZINC001461891003 1067955813 /nfs/dbraw/zinc/95/58/13/1067955813.db2.gz YLBWBEJOCQQFHZ-JBRSBNLGSA-N 0 0 456.627 4.631 20 0 JJADRN CCNC(=O)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)s1 ZINC001461891955 1067955938 /nfs/dbraw/zinc/95/59/38/1067955938.db2.gz FYMLOJKQQWDPIN-UHFFFAOYSA-N 0 0 456.951 4.708 20 0 JJADRN CCOc1c(Br)cc(C(=O)Oc2cccc(C(C)(C)C(=O)OC)c2)cc1OC ZINC001461895012 1067956208 /nfs/dbraw/zinc/95/62/08/1067956208.db2.gz IKCQUQKIQKCLMF-UHFFFAOYSA-N 0 0 451.313 4.526 20 0 JJADRN COc1ccc(OC(=O)c2cc(I)c(F)cc2F)cc1C(F)(F)F ZINC001461900770 1067958081 /nfs/dbraw/zinc/95/80/81/1067958081.db2.gz PEFXUEDHZSWWCV-UHFFFAOYSA-N 0 0 458.120 4.816 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)Cc2cc(Cl)ccc2Br)CCCCC1 ZINC001461902442 1067958449 /nfs/dbraw/zinc/95/84/49/1067958449.db2.gz PZBWWFLWIRMMLC-UHFFFAOYSA-N 0 0 459.812 4.989 20 0 JJADRN CCN(C)c1ccc(CN2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)cn1 ZINC001461912503 1067960230 /nfs/dbraw/zinc/96/02/30/1067960230.db2.gz SWWOFDHWPYKSSL-UHFFFAOYSA-N 0 0 457.338 4.641 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001461914616 1067960240 /nfs/dbraw/zinc/96/02/40/1067960240.db2.gz INKDHCOLSYBGEC-GFCCVEGCSA-N 0 0 454.280 4.974 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001461916621 1067960614 /nfs/dbraw/zinc/96/06/14/1067960614.db2.gz HFIRTVHDJNCZNT-SECBINFHSA-N 0 0 454.111 4.697 20 0 JJADRN CN(C)c1ncc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1Cl ZINC001461920026 1067960961 /nfs/dbraw/zinc/96/09/61/1067960961.db2.gz SDUPTBXGHYLLKN-UHFFFAOYSA-N 0 0 450.848 4.937 20 0 JJADRN O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)c1cnnn1-c1ccccc1Br ZINC001461919836 1067961098 /nfs/dbraw/zinc/96/10/98/1067961098.db2.gz PKJQPCZZQZHRMF-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN CN(CCCc1ccccc1)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC001461924005 1067962378 /nfs/dbraw/zinc/96/23/78/1067962378.db2.gz AZTZSUCKSUTOAY-UHFFFAOYSA-N 0 0 456.471 4.650 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2c(F)ccc(I)c2F)C1 ZINC001461925084 1067962420 /nfs/dbraw/zinc/96/24/20/1067962420.db2.gz IHRDMHSPALEUGD-GFCCVEGCSA-N 0 0 451.295 4.513 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cc1Cl ZINC001461932351 1067963143 /nfs/dbraw/zinc/96/31/43/1067963143.db2.gz AZXDBHJGYHSTFQ-ZDUSSCGKSA-N 0 0 451.354 4.564 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)cc1Cl ZINC001461932423 1067963581 /nfs/dbraw/zinc/96/35/81/1067963581.db2.gz BNRHUCMAOLAUHA-LBPRGKRZSA-N 0 0 455.784 4.531 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)cc1 ZINC001461932564 1067963616 /nfs/dbraw/zinc/96/36/16/1067963616.db2.gz IXZHJVAAYMPABM-AREMUKBSSA-N 0 0 456.652 4.582 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOC[C@H]4C)c(Cl)c3)n2)cc1F ZINC001461933092 1067963633 /nfs/dbraw/zinc/96/36/33/1067963633.db2.gz FGHVIABHMYLOPF-OAHLLOKOSA-N 0 0 458.921 4.634 20 0 JJADRN O=C1OCC[C@@H]2CN(Cc3ccc(Br)cc3Oc3cccc(Cl)c3)CCN12 ZINC001461933711 1067963671 /nfs/dbraw/zinc/96/36/71/1067963671.db2.gz BZOCNIIMPGRJLN-QGZVFWFLSA-N 0 0 451.748 4.921 20 0 JJADRN COc1cc(-c2ccccc2)ccc1CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001461933162 1067963725 /nfs/dbraw/zinc/96/37/25/1067963725.db2.gz MODYLBUUDDHLTB-UHFFFAOYSA-N 0 0 456.995 4.522 20 0 JJADRN C/C(=C/c1ccccc1OC(F)F)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932835 1067963749 /nfs/dbraw/zinc/96/37/49/1067963749.db2.gz FCLNMHAADKSYGS-PUBZQGQPSA-N 0 0 458.549 4.920 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)cc2)cc1 ZINC001461935078 1067964034 /nfs/dbraw/zinc/96/40/34/1067964034.db2.gz SRAQHYNGSNKDCW-HSZRJFAPSA-N 0 0 454.979 4.891 20 0 JJADRN Fc1ccc(C2OCCO2)c(Cl)c1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001461936299 1067964383 /nfs/dbraw/zinc/96/43/83/1067964383.db2.gz GXSNDAMCCSNUGO-GOSISDBHSA-N 0 0 456.739 4.861 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCO[C@@H](c4ccc(OC)cc4)C3)CC2(Cl)Cl)cc1 ZINC001461939510 1067964833 /nfs/dbraw/zinc/96/48/33/1067964833.db2.gz UOJIETMSESRFGG-IRLDBZIGSA-N 0 0 450.362 4.509 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461938974 1067964845 /nfs/dbraw/zinc/96/48/45/1067964845.db2.gz LWFPWKGUJNANIO-IBGZPJMESA-N 0 0 459.612 4.563 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c1 ZINC001461938822 1067964891 /nfs/dbraw/zinc/96/48/91/1067964891.db2.gz RANSCMNIBWODRG-HFZDXXHNSA-N 0 0 454.636 4.796 20 0 JJADRN CC(C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 ZINC001461939521 1067964950 /nfs/dbraw/zinc/96/49/50/1067964950.db2.gz URYOXFBUJQZZKE-UHFFFAOYSA-N 0 0 456.995 4.943 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1Cl ZINC001461942281 1067965317 /nfs/dbraw/zinc/96/53/17/1067965317.db2.gz QSUGFCZNASXKHU-AYBZRNKSSA-N 0 0 451.995 4.587 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1 ZINC001461942796 1067965466 /nfs/dbraw/zinc/96/54/66/1067965466.db2.gz VKUAMXUGGBTECI-DEOSSOPVSA-N 0 0 453.633 4.861 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)Nc1cc(F)c(Cl)cc1I ZINC001461943234 1067965522 /nfs/dbraw/zinc/96/55/22/1067965522.db2.gz BRSTZEUGOWSBBY-UHFFFAOYSA-N 0 0 458.029 4.894 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1Cl ZINC001461942296 1067965615 /nfs/dbraw/zinc/96/56/15/1067965615.db2.gz QSUGFCZNASXKHU-SUMDDJOVSA-N 0 0 451.995 4.587 20 0 JJADRN Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC001461943044 1067965702 /nfs/dbraw/zinc/96/57/02/1067965702.db2.gz JEUZOGXDYDCHGX-AREMUKBSSA-N 0 0 454.636 4.715 20 0 JJADRN CCOc1cc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)ccc1OCC(=O)N1CCCCC1 ZINC001461945322 1067966044 /nfs/dbraw/zinc/96/60/44/1067966044.db2.gz KIFGTFWCAKAHBL-NRFANRHFSA-N 0 0 456.970 4.547 20 0 JJADRN Cc1c(C(=O)Oc2cc(Cl)cnc2I)cccc1-c1ccccn1 ZINC001461947965 1067966773 /nfs/dbraw/zinc/96/67/73/1067966773.db2.gz QEYJBUBIPKPFNC-UHFFFAOYSA-N 0 0 450.663 4.929 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)Cc3cccc(OCc4cccc(C)c4)c3)CC2)cc1 ZINC001461951378 1067967569 /nfs/dbraw/zinc/96/75/69/1067967569.db2.gz KPGRJUPVRZZPMW-UHFFFAOYSA-N 0 0 456.586 4.846 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461952962 1067967920 /nfs/dbraw/zinc/96/79/20/1067967920.db2.gz OPDNMTKBGQZZTD-LBPRGKRZSA-N 0 0 455.337 4.922 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C2)cc1F ZINC001461955386 1067968254 /nfs/dbraw/zinc/96/82/54/1067968254.db2.gz UXSNCPLFNHFTKL-CQSZACIVSA-N 0 0 451.395 4.808 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(Cc3cc(Cl)c(OC)cc3Cl)CC2)cc1 ZINC001461957737 1067968911 /nfs/dbraw/zinc/96/89/11/1067968911.db2.gz HVCWEEQCWQUMJR-UHFFFAOYSA-N 0 0 451.394 4.678 20 0 JJADRN COC(=O)c1cc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)[nH]c1C(C)C ZINC001461959142 1067969256 /nfs/dbraw/zinc/96/92/56/1067969256.db2.gz SZBJKHNOXGGQRX-UHFFFAOYSA-N 0 0 456.587 4.505 20 0 JJADRN FC(F)(F)Oc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1Br ZINC001461963967 1067969874 /nfs/dbraw/zinc/96/98/74/1067969874.db2.gz BSJKZRWBTALMCN-MRXNPFEDSA-N 0 0 452.311 4.898 20 0 JJADRN OCCCN(Cc1sc(N2CCOCC2)nc1Cl)C(c1ccccc1)c1ccccc1 ZINC001461964151 1067969931 /nfs/dbraw/zinc/96/99/31/1067969931.db2.gz CPDSDWISQDBUKJ-UHFFFAOYSA-N 0 0 458.027 4.607 20 0 JJADRN CC(=O)N(c1nc(CN(C)Cc2nccn2CC(F)(F)F)cs1)c1cccc(Cl)c1 ZINC001461966847 1067970869 /nfs/dbraw/zinc/97/08/69/1067970869.db2.gz JFFJWEGGHIKSHM-UHFFFAOYSA-N 0 0 457.909 4.872 20 0 JJADRN CN(Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCCN(c2ccccc2)C1=O ZINC001461971755 1067971864 /nfs/dbraw/zinc/97/18/64/1067971864.db2.gz VNSZQODGMFKULE-NRFANRHFSA-N 0 0 455.624 4.669 20 0 JJADRN CC[C@H]1CCC[C@@H](CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971383 1067972084 /nfs/dbraw/zinc/97/20/84/1067972084.db2.gz PARSUTVXSQMQJX-JKSUJKDBSA-N 0 0 452.970 4.882 20 0 JJADRN Cc1c(C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)sc2cccc(F)c12 ZINC001461976557 1067973453 /nfs/dbraw/zinc/97/34/53/1067973453.db2.gz DJIIVINRGABPQB-UHFFFAOYSA-N 0 0 454.342 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C1 ZINC001461980526 1067973864 /nfs/dbraw/zinc/97/38/64/1067973864.db2.gz CWBDGEIWZIPMJG-GOSISDBHSA-N 0 0 457.036 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)C1 ZINC001461981026 1067974419 /nfs/dbraw/zinc/97/44/19/1067974419.db2.gz DIYVENBBCHRUME-FOJYNEPKSA-N 0 0 456.627 4.835 20 0 JJADRN C[C@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461985649 1067975610 /nfs/dbraw/zinc/97/56/10/1067975610.db2.gz FHRJRKOJVFBXQY-STQMWFEESA-N 0 0 455.422 4.730 20 0 JJADRN COC(=O)COc1ccccc1CN1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC001461986266 1067975627 /nfs/dbraw/zinc/97/56/27/1067975627.db2.gz JXRYZVKENQCMAG-UHFFFAOYSA-N 0 0 459.546 4.749 20 0 JJADRN COC(=O)c1ccc(CN[C@H](C)c2ccc(OC)cc2Br)c(Br)c1 ZINC001461995177 1067976498 /nfs/dbraw/zinc/97/64/98/1067976498.db2.gz UUTGYFNURBFAAB-LLVKDONJSA-N 0 0 457.162 4.858 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Br)c(F)c1F ZINC001462006325 1067978684 /nfs/dbraw/zinc/97/86/84/1067978684.db2.gz KGIKEOMECSACIT-UHFFFAOYSA-N 0 0 454.246 4.556 20 0 JJADRN O=C(CC1CCCC1)NC1CCC(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC001462006488 1067979115 /nfs/dbraw/zinc/97/91/15/1067979115.db2.gz KSXAYVOPZMUOKC-UHFFFAOYSA-N 0 0 457.359 4.599 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1F)c1cc(Br)cc2cccnc21 ZINC001462008454 1067979122 /nfs/dbraw/zinc/97/91/22/1067979122.db2.gz SOCYQTDHCSVNAR-UHFFFAOYSA-N 0 0 456.084 4.968 20 0 JJADRN CCN1c2ccc(NC(=O)c3cn(C)nc3-c3ccc(Cl)s3)cc2OCC(C)(C)C1=O ZINC001462009675 1067979601 /nfs/dbraw/zinc/97/96/01/1067979601.db2.gz LNOIQXGPJSPTSD-UHFFFAOYSA-N 0 0 458.971 4.826 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)NCc3ccc(Br)c(F)c3F)CCCC2)c1 ZINC001462010546 1067979679 /nfs/dbraw/zinc/97/96/79/1067979679.db2.gz RCPISTHDPPFKPJ-UHFFFAOYSA-N 0 0 454.311 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)Nc1cccc(C2CCOCC2)c1 ZINC001462012906 1067980404 /nfs/dbraw/zinc/98/04/04/1067980404.db2.gz SAIAIQZRQKSPOB-HSZRJFAPSA-N 0 0 452.551 4.890 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)COc1ccccc1OCC(F)(F)F ZINC001462013574 1067980803 /nfs/dbraw/zinc/98/08/03/1067980803.db2.gz IFVDCJMLEQNAQY-UHFFFAOYSA-N 0 0 450.226 4.567 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC001462013976 1067980904 /nfs/dbraw/zinc/98/09/04/1067980904.db2.gz IMPYOPGNBRNUKI-UHFFFAOYSA-N 0 0 453.699 4.509 20 0 JJADRN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017092 1067981789 /nfs/dbraw/zinc/98/17/89/1067981789.db2.gz GCVCOVQEGQNVCC-GCJKJVERSA-N 0 0 453.435 4.810 20 0 JJADRN CCCCOc1ccccc1CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001462017113 1067981895 /nfs/dbraw/zinc/98/18/95/1067981895.db2.gz DVBIPXIMYLROCW-UHFFFAOYSA-N 0 0 457.423 4.679 20 0 JJADRN CCOC(=O)c1nc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)sc1C ZINC001462024326 1067983644 /nfs/dbraw/zinc/98/36/44/1067983644.db2.gz CZRPIAZJCRFDBS-UHFFFAOYSA-N 0 0 455.483 4.952 20 0 JJADRN CCN(Cc1cn(-c2ccccc2Br)nc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001462024342 1067983652 /nfs/dbraw/zinc/98/36/52/1067983652.db2.gz QWVMFWUENJIBQR-UHFFFAOYSA-N 0 0 452.356 4.614 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC001462027423 1067984074 /nfs/dbraw/zinc/98/40/74/1067984074.db2.gz XKVUDDFRKXTCCD-GOSISDBHSA-N 0 0 453.587 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001462032002 1067984939 /nfs/dbraw/zinc/98/49/39/1067984939.db2.gz FRHSSESLBFSNJU-HOTGVXAUSA-N 0 0 458.990 4.792 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001462034680 1067985419 /nfs/dbraw/zinc/98/54/19/1067985419.db2.gz UHDMEZRIJBQMTC-GOSISDBHSA-N 0 0 456.949 4.708 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)CC2=O)cc1 ZINC001462035642 1067985641 /nfs/dbraw/zinc/98/56/41/1067985641.db2.gz XGOZOMCJSFHBOQ-AZUAARDMSA-N 0 0 457.977 4.570 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC001462035635 1067985692 /nfs/dbraw/zinc/98/56/92/1067985692.db2.gz REQUXRAXKQDUBL-UHFFFAOYSA-N 0 0 457.578 4.860 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001546128987 1067987288 /nfs/dbraw/zinc/98/72/88/1067987288.db2.gz QRKCLVLPPPSDLF-BJKOFHAPSA-N 0 0 451.611 4.997 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001462045976 1067988991 /nfs/dbraw/zinc/98/89/91/1067988991.db2.gz AOGXGKZKBSXHBF-WLWJZTKJSA-N 0 0 456.587 4.815 20 0 JJADRN O=S(=O)([C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1)N1CCc2ccccc21 ZINC001462049413 1067990098 /nfs/dbraw/zinc/99/00/98/1067990098.db2.gz HCSQAHOWLJRKGH-SFHVURJKSA-N 0 0 458.933 4.716 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001462053889 1067991857 /nfs/dbraw/zinc/99/18/57/1067991857.db2.gz UAAJJZNILSEUIB-KZYWPTACSA-N 0 0 456.505 4.765 20 0 JJADRN CN1c2ccccc2N(C(=O)COc2ccc3ccccc3c2Br)C(C)(C)C1=O ZINC001462056032 1067992794 /nfs/dbraw/zinc/99/27/94/1067992794.db2.gz UVMZWOXXBMPMIV-UHFFFAOYSA-N 0 0 453.336 4.769 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cncc(N(C)C)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462058667 1067993221 /nfs/dbraw/zinc/99/32/21/1067993221.db2.gz GGFSOTVUBWQJJV-AZGAKELHSA-N 0 0 458.562 4.588 20 0 JJADRN CCc1c(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cnn1-c1ccccc1Cl ZINC001462062646 1067993844 /nfs/dbraw/zinc/99/38/44/1067993844.db2.gz GMNYJSDBBFCUME-UHFFFAOYSA-N 0 0 451.808 4.846 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)CCCOc3ccc(C)cc3Cl)cc2F)n1 ZINC001462067090 1067995133 /nfs/dbraw/zinc/99/51/33/1067995133.db2.gz BFDMREOHQHOLRR-UHFFFAOYSA-N 0 0 459.905 4.948 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066802 1067995207 /nfs/dbraw/zinc/99/52/07/1067995207.db2.gz BHCVORJDQZDEJL-BKMJKUGQSA-N 0 0 454.615 4.510 20 0 JJADRN CCc1c(C(=O)Nc2ccc(COCCOC)cc2)cnn1-c1ccc(Br)cc1 ZINC001462068168 1067995703 /nfs/dbraw/zinc/99/57/03/1067995703.db2.gz KRTWGQHVAHXAKJ-UHFFFAOYSA-N 0 0 458.356 4.613 20 0 JJADRN COc1ccccc1COC1CCN(Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC1 ZINC001462069335 1067995802 /nfs/dbraw/zinc/99/58/02/1067995802.db2.gz ROWIUFDKJAQXPR-UHFFFAOYSA-N 0 0 455.002 4.782 20 0 JJADRN CCOC(=O)COc1cccc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)c1 ZINC001462069680 1067996200 /nfs/dbraw/zinc/99/62/00/1067996200.db2.gz FYZYWSTYHUMMPO-XZOQPEGZSA-N 0 0 454.567 4.834 20 0 JJADRN COCCOCc1ccc(NC(=O)c2cc(Br)c(C)cc2Br)cc1 ZINC001462070058 1067996303 /nfs/dbraw/zinc/99/63/03/1067996303.db2.gz XYNXOIROTBNFPH-UHFFFAOYSA-N 0 0 457.162 4.935 20 0 JJADRN CCOC(=O)COc1cccc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 ZINC001462069679 1067996324 /nfs/dbraw/zinc/99/63/24/1067996324.db2.gz FYZYWSTYHUMMPO-PKTZIBPZSA-N 0 0 454.567 4.834 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3c(C)onc3-c3ccc(F)cc3)cc2F)n1 ZINC001462070220 1067996341 /nfs/dbraw/zinc/99/63/41/1067996341.db2.gz ZMCPLHLUKZTDPD-UHFFFAOYSA-N 0 0 452.417 4.543 20 0 JJADRN CCC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001462075070 1067996846 /nfs/dbraw/zinc/99/68/46/1067996846.db2.gz NFGQRNSONQRVDP-UHFFFAOYSA-N 0 0 453.004 4.730 20 0 JJADRN COC(=O)c1ccc(C)c2c1N(C(=O)c1ccc(Cn3ccc(C(F)(F)F)n3)cc1)CCC2 ZINC001462082491 1067998277 /nfs/dbraw/zinc/99/82/77/1067998277.db2.gz KKFUIZCVKFZGNW-UHFFFAOYSA-N 0 0 457.452 4.638 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCC1 ZINC001546129326 1068000136 /nfs/dbraw/zinc/00/01/36/1068000136.db2.gz BIYZYFCVIHEPJF-UHFFFAOYSA-N 0 0 469.527 4.556 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001462092433 1068000506 /nfs/dbraw/zinc/00/05/06/1068000506.db2.gz DZEOINAYXBSBEW-LJQANCHMSA-N 0 0 459.399 4.567 20 0 JJADRN CN(Cc1c(Cl)n[nH]c1C1CC1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462092107 1068000643 /nfs/dbraw/zinc/00/06/43/1068000643.db2.gz GBDFXTWRIHOOLM-OAHLLOKOSA-N 0 0 454.796 4.893 20 0 JJADRN CC(=O)N1CC[C@@H](OC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c2ccccc21 ZINC001462102320 1068002768 /nfs/dbraw/zinc/00/27/68/1068002768.db2.gz AVBGNEYNWCDTQX-KPZWWZAWSA-N 0 0 452.732 4.911 20 0 JJADRN COc1ccc(Br)c(CN(C)Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC001462102496 1068002850 /nfs/dbraw/zinc/00/28/50/1068002850.db2.gz XDDIYSCEDFOLBX-UHFFFAOYSA-N 0 0 456.171 4.977 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3C)CC2=O)cc1F ZINC001462104385 1068003314 /nfs/dbraw/zinc/00/33/14/1068003314.db2.gz NRVDQQYLKBXKLK-HRAATJIYSA-N 0 0 459.359 4.922 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001462103916 1068003509 /nfs/dbraw/zinc/00/35/09/1068003509.db2.gz MLHHNJJNBQAFCI-QMMLZNLJSA-N 0 0 455.396 4.706 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1Br ZINC001462104992 1068003669 /nfs/dbraw/zinc/00/36/69/1068003669.db2.gz NILIRWHTZVRPCA-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001546129458 1068005229 /nfs/dbraw/zinc/00/52/29/1068005229.db2.gz HIJCDHGBUMIALF-IRXDYDNUSA-N 0 0 464.452 4.878 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2cc3c(cccc3O)s2)CC1 ZINC001462108033 1068005360 /nfs/dbraw/zinc/00/53/60/1068005360.db2.gz XEZRJMZBCBKASB-UHFFFAOYSA-N 0 0 451.375 4.637 20 0 JJADRN Cn1ncc(Br)c1CNC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001462115895 1068007259 /nfs/dbraw/zinc/00/72/59/1068007259.db2.gz OTDYAPBLYVJSDC-GOSISDBHSA-N 0 0 452.324 4.611 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462122877 1068009815 /nfs/dbraw/zinc/00/98/15/1068009815.db2.gz BLSWKWWBKMOTPO-WMZOPIPTSA-N 0 0 458.521 4.716 20 0 JJADRN Cc1c(F)cccc1N(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCO[C@@H]1C ZINC001462123191 1068009945 /nfs/dbraw/zinc/00/99/45/1068009945.db2.gz ZXCMLSKYBXWGDO-NLFFAJNJSA-N 0 0 452.570 4.516 20 0 JJADRN O=C(N[C@H]1CCCc2ccc(Cl)cc21)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001462125109 1068010850 /nfs/dbraw/zinc/01/08/50/1068010850.db2.gz FMABBVXNENQRJY-UZLBHIALSA-N 0 0 450.888 4.901 20 0 JJADRN CC(C)(NC(=O)Cc1cccc(I)c1)c1nc2cc(Cl)ccc2o1 ZINC001462125928 1068010995 /nfs/dbraw/zinc/01/09/95/1068010995.db2.gz QOFPHAOBMRHCPS-UHFFFAOYSA-N 0 0 454.695 4.680 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127686 1068011187 /nfs/dbraw/zinc/01/11/87/1068011187.db2.gz NXNHDCGXLDFVSE-QRQCRPRQSA-N 0 0 450.348 4.901 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001462128052 1068011675 /nfs/dbraw/zinc/01/16/75/1068011675.db2.gz LDNFFYGHADWDHR-NLFFAJNJSA-N 0 0 456.970 4.819 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCSC[C@H]2C)CCCC1 ZINC001546129556 1068012145 /nfs/dbraw/zinc/01/21/45/1068012145.db2.gz KLORKUQXFIAAMB-OAHLLOKOSA-N 0 0 452.466 4.958 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001462135318 1068012959 /nfs/dbraw/zinc/01/29/59/1068012959.db2.gz DETUNRBLVDOHNW-UHFFFAOYSA-N 0 0 456.542 4.691 20 0 JJADRN COCc1ncc2c(n1)CCN(C(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)C2 ZINC001462140726 1068013608 /nfs/dbraw/zinc/01/36/08/1068013608.db2.gz UFLRCYHRBGZJBC-JOCHJYFZSA-N 0 0 458.345 4.635 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)C2 ZINC001462140694 1068013654 /nfs/dbraw/zinc/01/36/54/1068013654.db2.gz SQGNSFJWJMHDAC-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001546129644 1068014112 /nfs/dbraw/zinc/01/41/12/1068014112.db2.gz NEXKESCGYADAJV-QGZVFWFLSA-N 0 0 451.384 4.898 20 0 JJADRN CO[C@H](C(=O)N1CCc2cc(C)cc(Br)c2C1)c1ccccc1Br ZINC001462141837 1068014274 /nfs/dbraw/zinc/01/42/74/1068014274.db2.gz WUVMHJWMCCZVSH-SFHVURJKSA-N 0 0 453.174 4.792 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2cnc(C3OCCO3)s2)cc1 ZINC001462145129 1068014691 /nfs/dbraw/zinc/01/46/91/1068014691.db2.gz GWTXAKUOOUIPDT-HXUWFJFHSA-N 0 0 459.612 4.545 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462147569 1068015406 /nfs/dbraw/zinc/01/54/06/1068015406.db2.gz PZGGICDJNQVHFY-RYUDHWBXSA-N 0 0 458.531 4.744 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)Nc3nc([C@H]4CCC[C@@H](C(F)(F)F)C4)cs3)cnc12 ZINC001462148079 1068015566 /nfs/dbraw/zinc/01/55/66/1068015566.db2.gz RNHFYXCFJZWJDU-UONOGXRCSA-N 0 0 450.486 4.636 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)cn1 ZINC001462150546 1068016160 /nfs/dbraw/zinc/01/61/60/1068016160.db2.gz ZIMGMKSHBISBQV-NEPJUHHUSA-N 0 0 456.490 4.977 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2C)CCCC1 ZINC001546129395 1068016696 /nfs/dbraw/zinc/01/66/96/1068016696.db2.gz FCPXVUYCSXUJAG-UHFFFAOYSA-N 0 0 460.424 4.684 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)c2C1 ZINC001462152837 1068016956 /nfs/dbraw/zinc/01/69/56/1068016956.db2.gz BJNVZRDYCWRYHE-FOIQADDNSA-N 0 0 459.516 4.901 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152366 1068017045 /nfs/dbraw/zinc/01/70/45/1068017045.db2.gz UMLIPYFJGCBBHM-OAHLLOKOSA-N 0 0 454.402 4.701 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001546129708 1068018111 /nfs/dbraw/zinc/01/81/11/1068018111.db2.gz PQKXPWAEOPRLNX-HNNXBMFYSA-N 0 0 451.384 4.900 20 0 JJADRN CC(=O)N(c1nc(CNC[C@H](O)c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462156704 1068018242 /nfs/dbraw/zinc/01/82/42/1068018242.db2.gz JVBBACVJYDQYPH-IBGZPJMESA-N 0 0 453.461 4.809 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCC1 ZINC001546129778 1068020161 /nfs/dbraw/zinc/02/01/61/1068020161.db2.gz TUEFVTHXHGNSBB-IBGZPJMESA-N 0 0 499.656 4.988 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(Cl)ccc1I ZINC001462167101 1068020455 /nfs/dbraw/zinc/02/04/55/1068020455.db2.gz QODGQZJYEKFPJI-CVEARBPZSA-N 0 0 462.114 4.858 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CCO1 ZINC001462166311 1068020622 /nfs/dbraw/zinc/02/06/22/1068020622.db2.gz JMQRNTMNGIYAHB-HXUWFJFHSA-N 0 0 458.530 4.975 20 0 JJADRN COC(=O)c1cc2c(cc1NC(=O)CCCOc1ccc(Cl)cc1Cl)OCCCO2 ZINC001462171540 1068021314 /nfs/dbraw/zinc/02/13/14/1068021314.db2.gz TXQTXPSGELYMQZ-UHFFFAOYSA-N 0 0 454.306 4.739 20 0 JJADRN CCOc1cc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001462174593 1068022362 /nfs/dbraw/zinc/02/23/62/1068022362.db2.gz BUJXDIFIHNOKFN-FQEVSTJZSA-N 0 0 450.579 4.922 20 0 JJADRN CC(C)(C)NC(=O)c1ccc(NCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001462179949 1068022609 /nfs/dbraw/zinc/02/26/09/1068022609.db2.gz ATCNYKWHYZDRLL-UHFFFAOYSA-N 0 0 455.599 4.978 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)c2nc(NCc3ccco3)ncc2Cl)c1 ZINC001462179712 1068022643 /nfs/dbraw/zinc/02/26/43/1068022643.db2.gz ZOIDGEIHZUCYKL-UHFFFAOYSA-N 0 0 455.685 4.681 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001462178937 1068022854 /nfs/dbraw/zinc/02/28/54/1068022854.db2.gz WGLRXAOQQBGEFT-WJFTUGDTSA-N 0 0 465.432 4.779 20 0 JJADRN C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181493 1068023455 /nfs/dbraw/zinc/02/34/55/1068023455.db2.gz ARUHNYAGMBHERK-BBRMVZONSA-N 0 0 451.365 4.549 20 0 JJADRN COCCN(Cc1cc(Br)cs1)Cc1sc(N2CCCC2)nc1Cl ZINC001462188180 1068025063 /nfs/dbraw/zinc/02/50/63/1068025063.db2.gz BJJLZNAGJDRAPQ-UHFFFAOYSA-N 0 0 450.855 4.869 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)N1CCOc3ccc(CNC(=O)OC(C)(C)C)cc31)CCC2 ZINC001462192126 1068026109 /nfs/dbraw/zinc/02/61/09/1068026109.db2.gz ABNMKRNBVZWDMO-HXUWFJFHSA-N 0 0 452.551 4.565 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)N1CCOc3ccc(CNC(=O)OC(C)(C)C)cc31)CCC2 ZINC001462192121 1068026203 /nfs/dbraw/zinc/02/62/03/1068026203.db2.gz ABNMKRNBVZWDMO-FQEVSTJZSA-N 0 0 452.551 4.565 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC001462193331 1068026280 /nfs/dbraw/zinc/02/62/80/1068026280.db2.gz VBZIUKWUVGTQTQ-HXUWFJFHSA-N 0 0 455.580 4.907 20 0 JJADRN COc1cc(-c2cc(C(=O)NCC[C@@H]3CCSC3)c3ccccc3n2)cc(OC)c1OC ZINC001462198142 1068027369 /nfs/dbraw/zinc/02/73/69/1068027369.db2.gz YBSDMQCEEFIZLC-MRXNPFEDSA-N 0 0 452.576 4.801 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc3c(c1)CCCCC3=O)CCO2 ZINC001462199893 1068028117 /nfs/dbraw/zinc/02/81/17/1068028117.db2.gz WWLFUJDCXTUREC-UHFFFAOYSA-N 0 0 450.535 4.660 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCC1CC1 ZINC001462207389 1068028806 /nfs/dbraw/zinc/02/88/06/1068028806.db2.gz HQICMJGWHZQETC-GOSISDBHSA-N 0 0 455.393 4.720 20 0 JJADRN CC(C)(C)n1cc(C(=O)OCc2ccc(Br)c(F)c2F)c(Br)n1 ZINC001462209148 1068029376 /nfs/dbraw/zinc/02/93/76/1068029376.db2.gz MGNITUFWXIPNCA-UHFFFAOYSA-N 0 0 452.093 4.798 20 0 JJADRN O=C(NCc1ccc(OC(F)F)cc1F)c1scc(Br)c1Br ZINC001462207903 1068029527 /nfs/dbraw/zinc/02/95/27/1068029527.db2.gz KRNZKWGUJHFAHU-UHFFFAOYSA-N 0 0 459.081 4.944 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)OCc2ccc(Br)c(F)c2F)[C@H]1c1cccc(Cl)c1 ZINC001462211156 1068029686 /nfs/dbraw/zinc/02/96/86/1068029686.db2.gz RWEFBGBUVNRZJA-FZKQIMNGSA-N 0 0 458.686 4.644 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC001462210997 1068029760 /nfs/dbraw/zinc/02/97/60/1068029760.db2.gz SDFPPTQLVROGDN-UHFFFAOYSA-N 0 0 453.491 4.540 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001462215260 1068030143 /nfs/dbraw/zinc/03/01/43/1068030143.db2.gz BHMXKJAAPMQXFM-TZIWHRDSSA-N 0 0 459.512 4.747 20 0 JJADRN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001462215254 1068030394 /nfs/dbraw/zinc/03/03/94/1068030394.db2.gz BHMXKJAAPMQXFM-CTNGQTDRSA-N 0 0 459.512 4.747 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)Cc3cc(Br)cc(Br)c3N)ccc12 ZINC001462216687 1068030552 /nfs/dbraw/zinc/03/05/52/1068030552.db2.gz RKVYPWJLJSMLRF-UHFFFAOYSA-N 0 0 452.146 4.845 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1ccc(I)cc1F ZINC001462225428 1068032512 /nfs/dbraw/zinc/03/25/12/1068032512.db2.gz AFKYENQLIUBPTC-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001462231436 1068033960 /nfs/dbraw/zinc/03/39/60/1068033960.db2.gz VYVJUQDGLBSDGQ-KRWDZBQOSA-N 0 0 452.621 4.713 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239816 1068036047 /nfs/dbraw/zinc/03/60/47/1068036047.db2.gz XSBIXUQCYXCCCX-XCZPVHLTSA-N 0 0 458.602 4.695 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1OC1CCOCC1 ZINC001462242336 1068036359 /nfs/dbraw/zinc/03/63/59/1068036359.db2.gz XAIOSGMMPHUVQT-CQSZACIVSA-N 0 0 451.336 4.975 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC12CCCCCC2 ZINC001462243203 1068036594 /nfs/dbraw/zinc/03/65/94/1068036594.db2.gz INKFEJOZFUSPMA-OAQYLSRUSA-N 0 0 453.048 4.946 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(S(C)(=O)=O)cc1 ZINC001462245318 1068036875 /nfs/dbraw/zinc/03/68/75/1068036875.db2.gz DCZPQSDOTMYFGC-AWEZNQCLSA-N 0 0 451.466 4.902 20 0 JJADRN CC(C)[C@H]1N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC12CCCCCC2 ZINC001462244026 1068037003 /nfs/dbraw/zinc/03/70/03/1068037003.db2.gz KDJIVFRMMXGZMD-VQIMIIECSA-N 0 0 459.077 4.762 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)NCc2c(Cl)cccc2OC(F)F)n1 ZINC001462244993 1068037072 /nfs/dbraw/zinc/03/70/72/1068037072.db2.gz MPBBXMSNJHEMDB-UHFFFAOYSA-N 0 0 458.893 4.536 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC1CC(c2ccc(Br)cc2F)C1)C(F)F ZINC001462248937 1068037298 /nfs/dbraw/zinc/03/72/98/1068037298.db2.gz RBHUIJDRGCAWRZ-IJGSQOGDSA-N 0 0 451.327 4.972 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)nnc1-c1ccccc1 ZINC001462247810 1068037650 /nfs/dbraw/zinc/03/76/50/1068037650.db2.gz QKUKIHPDIRRBAM-LAUBAEHRSA-N 0 0 454.571 4.827 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257902 1068039745 /nfs/dbraw/zinc/03/97/45/1068039745.db2.gz HPUFRZQSYAWHID-FQEVSTJZSA-N 0 0 453.380 4.542 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258788 1068040201 /nfs/dbraw/zinc/04/02/01/1068040201.db2.gz KNYPKKUGKPBVGN-JOCHJYFZSA-N 0 0 452.501 4.696 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)c2cc(C)c(Cl)cc2C)c1 ZINC001462260049 1068040281 /nfs/dbraw/zinc/04/02/81/1068040281.db2.gz KAJIXSKMADJJAC-UHFFFAOYSA-N 0 0 457.695 4.990 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001462260438 1068040550 /nfs/dbraw/zinc/04/05/50/1068040550.db2.gz BHQKOOMDJAAHLK-UHFFFAOYSA-N 0 0 452.951 4.989 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)Cc2ccc(C)cc2Cl)c1 ZINC001462263425 1068040934 /nfs/dbraw/zinc/04/09/34/1068040934.db2.gz UNLIZRWOLGFHEF-UHFFFAOYSA-N 0 0 457.695 4.611 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC001462274111 1068041983 /nfs/dbraw/zinc/04/19/83/1068041983.db2.gz WHJBAXDQAOPDKR-GMAHTHKFSA-N 0 0 455.599 4.554 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Oc2cc(C)c(C(C)(C)C)cc2C)cc1 ZINC001462278074 1068042390 /nfs/dbraw/zinc/04/23/90/1068042390.db2.gz DDLWNIVCWZYXIT-UHFFFAOYSA-N 0 0 459.608 4.810 20 0 JJADRN CCOC1CCC(OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC001462278999 1068042460 /nfs/dbraw/zinc/04/24/60/1068042460.db2.gz MFYBIPURYFSSCL-IPJUCJBFSA-N 0 0 452.389 4.501 20 0 JJADRN CCOC1CCC(OC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC001462279014 1068042686 /nfs/dbraw/zinc/04/26/86/1068042686.db2.gz MFYBIPURYFSSCL-IVMQYODDSA-N 0 0 452.389 4.501 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)NCc1noc2ccc(F)cc12 ZINC001462284110 1068043828 /nfs/dbraw/zinc/04/38/28/1068043828.db2.gz PNKPQMMVKUATOU-UHFFFAOYSA-N 0 0 452.330 4.773 20 0 JJADRN Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)c2)c(C)c1 ZINC001462287586 1068044020 /nfs/dbraw/zinc/04/40/20/1068044020.db2.gz HWJHQQOQEFQFMS-OAQYLSRUSA-N 0 0 452.551 4.615 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)/C=C\c1nc2ccccc2s1 ZINC001462287771 1068044039 /nfs/dbraw/zinc/04/40/39/1068044039.db2.gz JDASRIFJXVNPOG-IBSYWUHOSA-N 0 0 451.367 4.506 20 0 JJADRN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001462288083 1068044434 /nfs/dbraw/zinc/04/44/34/1068044434.db2.gz MVWMAIVSSNHJEX-RUZDIDTESA-N 0 0 457.448 4.874 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@@H]1CCO[C@H]1C ZINC001462296373 1068045904 /nfs/dbraw/zinc/04/59/04/1068045904.db2.gz KOTPOIFDXBRERZ-HRAATJIYSA-N 0 0 459.974 4.892 20 0 JJADRN CN(CCCC(=O)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1)C(=O)c1ccncc1 ZINC001462304699 1068047227 /nfs/dbraw/zinc/04/72/27/1068047227.db2.gz AVYFIOIWQVCUIO-XMMPIXPASA-N 0 0 457.574 4.960 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC001462304688 1068047314 /nfs/dbraw/zinc/04/73/14/1068047314.db2.gz CRJFNZZHAIKJOR-HNNXBMFYSA-N 0 0 450.457 4.929 20 0 JJADRN CCOc1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)ccc1OC(=O)CC ZINC001462309011 1068047749 /nfs/dbraw/zinc/04/77/49/1068047749.db2.gz SFGZBTFWUFOADK-NRFANRHFSA-N 0 0 453.457 4.873 20 0 JJADRN C[C@H]1CN(Cc2csc(-c3ccn(C)n3)n2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001462307795 1068047792 /nfs/dbraw/zinc/04/77/92/1068047792.db2.gz SBDJMDYCZPSJSE-HNNXBMFYSA-N 0 0 457.575 4.829 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)o1 ZINC001462308580 1068047860 /nfs/dbraw/zinc/04/78/60/1068047860.db2.gz KWQSEPRVKWRDDJ-WXFJXSOESA-N 0 0 451.544 4.722 20 0 JJADRN C[C@@H]1CN(Cc2csc(-c3ccn(C)n3)n2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001462307801 1068047934 /nfs/dbraw/zinc/04/79/34/1068047934.db2.gz SBDJMDYCZPSJSE-OAHLLOKOSA-N 0 0 457.575 4.829 20 0 JJADRN Cc1ccc(CCNc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC001462310282 1068048748 /nfs/dbraw/zinc/04/87/48/1068048748.db2.gz OJOKHLFCWPWQPT-UHFFFAOYSA-N 0 0 453.627 4.890 20 0 JJADRN Cn1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001462312861 1068049081 /nfs/dbraw/zinc/04/90/81/1068049081.db2.gz HZVNPWWQSGACAQ-HXUWFJFHSA-N 0 0 453.411 4.837 20 0 JJADRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC001462315284 1068049745 /nfs/dbraw/zinc/04/97/45/1068049745.db2.gz IRDHRBCVYFFIBA-HXUWFJFHSA-N 0 0 456.011 4.981 20 0 JJADRN FC(F)(F)c1ccc(CC2CN(Cc3cn(-c4ccccc4Br)nn3)C2)cc1 ZINC001462315968 1068050135 /nfs/dbraw/zinc/05/01/35/1068050135.db2.gz PMGOWXFQUJXCFT-UHFFFAOYSA-N 0 0 451.290 4.723 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc([C@H]2CCCO2)s1 ZINC001462323325 1068051411 /nfs/dbraw/zinc/05/14/11/1068051411.db2.gz HWJPQWPMGJQTGK-QZTJIDSGSA-N 0 0 456.955 4.543 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cncc(C(F)F)c2)c1 ZINC001462335457 1068053340 /nfs/dbraw/zinc/05/33/40/1068053340.db2.gz NLEXQUMNAGMIDH-UHFFFAOYSA-N 0 0 451.882 4.750 20 0 JJADRN COc1nc2ccccc2cc1CN1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335475 1068053400 /nfs/dbraw/zinc/05/34/00/1068053400.db2.gz FXVGZTOBAPCOQP-JTHBVZDNSA-N 0 0 451.542 4.875 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2)cc1 ZINC001462345688 1068055767 /nfs/dbraw/zinc/05/57/67/1068055767.db2.gz JIQVJWBAMOISJA-UHFFFAOYSA-N 0 0 457.530 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)ccc2Cl)C1 ZINC001462345305 1068055798 /nfs/dbraw/zinc/05/57/98/1068055798.db2.gz REEFKDOBENSZDD-SUMWQHHRSA-N 0 0 457.796 4.964 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3C(C)(F)F)CC2)cc1C ZINC001462345193 1068055871 /nfs/dbraw/zinc/05/58/71/1068055871.db2.gz FTWWPVGKCDSKPN-UHFFFAOYSA-N 0 0 454.514 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)ccc2Cl)C1 ZINC001462345299 1068055881 /nfs/dbraw/zinc/05/58/81/1068055881.db2.gz REEFKDOBENSZDD-DYVFJYSZSA-N 0 0 457.796 4.964 20 0 JJADRN CC(=O)N(c1nc(CNCc2nnc(C3CC3)s2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462348325 1068056486 /nfs/dbraw/zinc/05/64/86/1068056486.db2.gz OGSUZUBIEILZKK-UHFFFAOYSA-N 0 0 453.515 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Oc3ccccc3F)nc2)C1 ZINC001462348050 1068056816 /nfs/dbraw/zinc/05/68/16/1068056816.db2.gz GOEADMOVJNVYRW-QUCCMNQESA-N 0 0 455.530 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001462351581 1068057436 /nfs/dbraw/zinc/05/74/36/1068057436.db2.gz YFZAYIFAPHPNCF-MJGOQNOKSA-N 0 0 459.587 4.735 20 0 JJADRN CCOc1cc(CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)ccc1OC(=O)CC ZINC001462354777 1068058013 /nfs/dbraw/zinc/05/80/13/1068058013.db2.gz DLTSSOVTUMXVMY-HXUWFJFHSA-N 0 0 454.567 4.857 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001462357384 1068058758 /nfs/dbraw/zinc/05/87/58/1068058758.db2.gz WNQBIBYHYVJOOW-XLIONFOSSA-N 0 0 467.418 4.944 20 0 JJADRN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1cc(C(F)(F)F)ccc1Br ZINC001462372014 1068061923 /nfs/dbraw/zinc/06/19/23/1068061923.db2.gz JEEINPACYIASCP-UHFFFAOYSA-N 0 0 455.274 4.586 20 0 JJADRN CCc1cc(C)c(OC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)c(C)c1 ZINC001462376488 1068062335 /nfs/dbraw/zinc/06/23/35/1068062335.db2.gz HMUFLSJZGAASLD-HRAATJIYSA-N 0 0 459.608 4.951 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CC23CC(C2)CN3C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F ZINC001462381171 1068063274 /nfs/dbraw/zinc/06/32/74/1068063274.db2.gz UETDHXCPRJVWKA-JBLFJGJOSA-N 0 0 477.568 4.554 20 0 JJADRN CCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)CCNC(=O)C(C)C)CCC1 ZINC001546131217 1068064008 /nfs/dbraw/zinc/06/40/08/1068064008.db2.gz SVCCMQVHGZNEHK-GOSISDBHSA-N 0 0 457.688 4.920 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)NCc1noc2cc(F)ccc12 ZINC001462392002 1068064757 /nfs/dbraw/zinc/06/47/57/1068064757.db2.gz DHIYWVUVJVCFNZ-UHFFFAOYSA-N 0 0 453.514 4.850 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H]1CCCn2nccc21 ZINC001462394268 1068065180 /nfs/dbraw/zinc/06/51/80/1068065180.db2.gz NYJRVLQSOVXGSQ-OAHLLOKOSA-N 0 0 451.518 4.795 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001462396248 1068065198 /nfs/dbraw/zinc/06/51/98/1068065198.db2.gz LLKNCMYOAZYVHO-BZUAXINKSA-N 0 0 469.221 4.923 20 0 JJADRN C[C@@H]1CN(c2cc(F)cc(NCc3cn(-c4ccc(Cl)cc4Cl)nn3)c2)C[C@H](C)O1 ZINC001462399356 1068066190 /nfs/dbraw/zinc/06/61/90/1068066190.db2.gz CKJDGXDQOBDJHI-OKILXGFUSA-N 0 0 450.345 4.939 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1 ZINC001462408047 1068066981 /nfs/dbraw/zinc/06/69/81/1068066981.db2.gz NUEPIGWPCILOJZ-JYRVWZFOSA-N 0 0 454.324 4.772 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)c2cnc(Br)s2)C1(C)C ZINC001462409201 1068067607 /nfs/dbraw/zinc/06/76/07/1068067607.db2.gz FRXIZWAPYUSVJW-CQSZACIVSA-N 0 0 452.374 4.910 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@H]1c3ccccc3N(C(=O)OC(C)(C)C)C1(C)C)CO2 ZINC001462409165 1068067774 /nfs/dbraw/zinc/06/77/74/1068067774.db2.gz FAGHUMGWUFJVKD-VGSWGCGISA-N 0 0 452.551 4.638 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1cccc(F)c1I)C2 ZINC001462410403 1068068110 /nfs/dbraw/zinc/06/81/10/1068068110.db2.gz KWZSISVBQSMPLZ-YWZLYKJASA-N 0 0 474.358 4.557 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1cc(Br)ccc1C(C)(C)C ZINC001462412001 1068068491 /nfs/dbraw/zinc/06/84/91/1068068491.db2.gz RECBIBOOOMDHSJ-HNNXBMFYSA-N 0 0 455.393 4.711 20 0 JJADRN O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)cs1 ZINC001462417266 1068070256 /nfs/dbraw/zinc/07/02/56/1068070256.db2.gz HJKHMBDIVSLKKF-KRWDZBQOSA-N 0 0 455.939 4.704 20 0 JJADRN O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1cnc(Br)c(Br)c1 ZINC001462421383 1068071260 /nfs/dbraw/zinc/07/12/60/1068071260.db2.gz AZLFMVRQDNOGOA-NSHDSACASA-N 0 0 454.496 4.996 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1cnc(Br)c(Br)c1 ZINC001462421376 1068071413 /nfs/dbraw/zinc/07/14/13/1068071413.db2.gz AZLFMVRQDNOGOA-LLVKDONJSA-N 0 0 454.496 4.996 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)C3(C)C)C2)s1 ZINC001462421614 1068071461 /nfs/dbraw/zinc/07/14/61/1068071461.db2.gz LKSITOMPJKCQLH-JRGCBEDISA-N 0 0 460.665 4.640 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2cccnc2)C2CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001462427395 1068072260 /nfs/dbraw/zinc/07/22/60/1068072260.db2.gz BNMQVYANWJTWNS-OAQYLSRUSA-N 0 0 457.500 4.580 20 0 JJADRN CCS(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC001462428348 1068072554 /nfs/dbraw/zinc/07/25/54/1068072554.db2.gz SVBAKLKTIUVNMV-AWEZNQCLSA-N 0 0 459.395 4.587 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001462427849 1068072654 /nfs/dbraw/zinc/07/26/54/1068072654.db2.gz RMXGSJNSCKUISM-FOIQADDNSA-N 0 0 459.384 4.718 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001462433015 1068073703 /nfs/dbraw/zinc/07/37/03/1068073703.db2.gz ALNJDBYVVRWRTP-OAHLLOKOSA-N 0 0 456.896 4.608 20 0 JJADRN COC(=O)c1c[nH]c2cc(NCc3csc(N(C(C)=O)c4ccc(OC)cc4)n3)ccc21 ZINC001462437653 1068073924 /nfs/dbraw/zinc/07/39/24/1068073924.db2.gz HVLJVQJKVBMVMK-UHFFFAOYSA-N 0 0 450.520 4.716 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCCCc2ccc(Br)cc21 ZINC001462437213 1068074250 /nfs/dbraw/zinc/07/42/50/1068074250.db2.gz OGIIZYONBNFIRO-SFHVURJKSA-N 0 0 451.158 4.885 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](c3ccccc3Cl)C2(C)C)c1 ZINC001462441186 1068074400 /nfs/dbraw/zinc/07/44/00/1068074400.db2.gz VVDSTEGYLFZRHI-KRWDZBQOSA-N 0 0 455.407 4.652 20 0 JJADRN Fc1cc(Br)c(CNC[C@]23OCCC[C@H]2C3(F)F)c(N2CCCCC2)c1F ZINC001462441663 1068074660 /nfs/dbraw/zinc/07/46/60/1068074660.db2.gz NNNPDUCJMHKPFB-QAPCUYQASA-N 0 0 451.302 4.622 20 0 JJADRN Cc1nnc(CN2CCN(Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC001462442775 1068075025 /nfs/dbraw/zinc/07/50/25/1068075025.db2.gz OKELWGCEINIXBG-UHFFFAOYSA-N 0 0 450.345 4.669 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)/C=C\c3ccsc3C(F)(F)F)C2)O1 ZINC001462445678 1068076322 /nfs/dbraw/zinc/07/63/22/1068076322.db2.gz QEONOPQVYJCMEN-HTNYWEHUSA-N 0 0 450.526 4.672 20 0 JJADRN NS(=O)(=O)c1cc2c(s1)CCN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C2 ZINC001462450264 1068076948 /nfs/dbraw/zinc/07/69/48/1068076948.db2.gz HMNVLHHENBIXRD-UHFFFAOYSA-N 0 0 452.960 4.539 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449389 1068077073 /nfs/dbraw/zinc/07/70/73/1068077073.db2.gz YDOFRLNKKGSZDK-ZHRRBRCNSA-N 0 0 452.904 4.864 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCc1cc(Cl)cc(Br)c1 ZINC001462450287 1068077646 /nfs/dbraw/zinc/07/76/46/1068077646.db2.gz DWJXRICVSFUZTK-UHFFFAOYSA-N 0 0 453.711 4.967 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001462452480 1068077727 /nfs/dbraw/zinc/07/77/27/1068077727.db2.gz RCZYTEXHDVJDFJ-CQSZACIVSA-N 0 0 458.839 4.641 20 0 JJADRN CO[C@]1(C(F)(F)F)CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)C1 ZINC001462452969 1068077929 /nfs/dbraw/zinc/07/79/29/1068077929.db2.gz SJUNYJGRWXLHBU-LJQANCHMSA-N 0 0 457.905 4.901 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)C2)nc1C ZINC001462464242 1068079905 /nfs/dbraw/zinc/07/99/05/1068079905.db2.gz OXQHWJBQBKBHRG-CZUORRHYSA-N 0 0 454.514 4.842 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)CC2)cc1 ZINC001462467540 1068080565 /nfs/dbraw/zinc/08/05/65/1068080565.db2.gz FRJZSUFEGRHTHO-UHFFFAOYSA-N 0 0 453.671 4.539 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)c1cn(C(C)(C)C)nc1Br)CCCC2 ZINC001462469393 1068080836 /nfs/dbraw/zinc/08/08/36/1068080836.db2.gz NINNGMAMRAWTBL-INIZCTEOSA-N 0 0 450.377 4.615 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)c1cn(C(C)(C)C)nc1Br)CCCC2 ZINC001462469397 1068081004 /nfs/dbraw/zinc/08/10/04/1068081004.db2.gz NINNGMAMRAWTBL-MRXNPFEDSA-N 0 0 450.377 4.615 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@]1(C)OCCc2ccccc21 ZINC001462471333 1068081247 /nfs/dbraw/zinc/08/12/47/1068081247.db2.gz RKGKZTHCZXCCGW-XMMPIXPASA-N 0 0 458.389 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CN[C@H](CCO)c3cc(Cl)cc(Cl)c3)on2)C1 ZINC001462476997 1068081691 /nfs/dbraw/zinc/08/16/91/1068081691.db2.gz CNOGUBIDYKLQIL-GOSISDBHSA-N 0 0 456.370 4.529 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCc2cc(F)cc(Br)c2C1 ZINC001462477876 1068081719 /nfs/dbraw/zinc/08/17/19/1068081719.db2.gz GWEZTSQOLNOKIJ-UHFFFAOYSA-N 0 0 458.331 4.509 20 0 JJADRN Cc1c(I)cc(Br)cc1NC[C@H]1C[C@]1(C)Br ZINC001462480431 1068082560 /nfs/dbraw/zinc/08/25/60/1068082560.db2.gz RGLRPAHYBXZOEV-PELKAZGASA-N 0 0 458.963 4.948 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCCc1ccns1 ZINC001462484573 1068083502 /nfs/dbraw/zinc/08/35/02/1068083502.db2.gz IDROCJQNZGUUSD-ZDUSSCGKSA-N 0 0 456.618 4.501 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CN=[S@](C)(=O)c2ccc(N(C)C)cc2)cc1 ZINC001462486795 1068083546 /nfs/dbraw/zinc/08/35/46/1068083546.db2.gz PLZRAOWPFQXOLT-JGCGQSQUSA-N 0 0 452.576 4.775 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)nc1C ZINC001462494859 1068084782 /nfs/dbraw/zinc/08/47/82/1068084782.db2.gz GSXUXCFSKIBSPU-NRFANRHFSA-N 0 0 456.608 4.504 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CCCOc3ccc(C)c(C)c3)CC2)nc1C ZINC001462496947 1068085639 /nfs/dbraw/zinc/08/56/39/1068085639.db2.gz PEFPMICLMLIZFM-UHFFFAOYSA-N 0 0 458.624 4.885 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)n1 ZINC001462499128 1068085959 /nfs/dbraw/zinc/08/59/59/1068085959.db2.gz ZOQRTLHSDSGOKE-BQYQJAHWSA-N 0 0 452.498 4.833 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br)C(=O)OC(C)(C)C ZINC001462499290 1068086008 /nfs/dbraw/zinc/08/60/08/1068086008.db2.gz AEMCDJKYLMHLPS-CQSZACIVSA-N 0 0 459.812 4.893 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)CSc1cccc(Br)c1)CC2 ZINC001462499178 1068086096 /nfs/dbraw/zinc/08/60/96/1068086096.db2.gz QHAIKCGPYDXUGI-UHFFFAOYSA-N 0 0 450.398 4.878 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)cc1 ZINC001462499375 1068086125 /nfs/dbraw/zinc/08/61/25/1068086125.db2.gz CXJXARSEIUHIBQ-VXNXHJTFSA-N 0 0 466.578 4.628 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001462498482 1068086161 /nfs/dbraw/zinc/08/61/61/1068086161.db2.gz XULKCSTUSXEFEA-QHCPKHFHSA-N 0 0 453.526 4.915 20 0 JJADRN O=C(Cc1ccc(-n2cnnc2)cc1)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001462499457 1068086318 /nfs/dbraw/zinc/08/63/18/1068086318.db2.gz FXMPQEYVVABKGA-UHFFFAOYSA-N 0 0 454.864 4.850 20 0 JJADRN Cc1cc(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)ccc1-n1cnnn1 ZINC001462504386 1068087215 /nfs/dbraw/zinc/08/72/15/1068087215.db2.gz SETDEYUVTHHBSB-UHFFFAOYSA-N 0 0 455.852 4.625 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3Cl)CC2)n1 ZINC001462506479 1068087392 /nfs/dbraw/zinc/08/73/92/1068087392.db2.gz SPDRLOGUICWMLZ-HNNXBMFYSA-N 0 0 450.988 4.530 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)CC2 ZINC001462508832 1068087643 /nfs/dbraw/zinc/08/76/43/1068087643.db2.gz RVAFIUMTXXUYJT-UHFFFAOYSA-N 0 0 450.457 4.615 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)c1cc3c(Br)cccc3cn1)CC2 ZINC001462509466 1068087741 /nfs/dbraw/zinc/08/77/41/1068087741.db2.gz VUJGIRWZDVSKBH-UHFFFAOYSA-N 0 0 455.352 4.948 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N1CCCSC[C@H]1c1ccccc1 ZINC001462509895 1068088000 /nfs/dbraw/zinc/08/80/00/1068088000.db2.gz YLEWUUYFJXSLAS-HNNXBMFYSA-N 0 0 456.203 4.927 20 0 JJADRN C[C@]1(c2cccc(NC(=O)COc3ccc4cc(Br)ccc4c3)c2)COC(=O)N1 ZINC001462509694 1068088254 /nfs/dbraw/zinc/08/82/54/1068088254.db2.gz XIIZSKIJGVWFIV-JOCHJYFZSA-N 0 0 455.308 4.575 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC001462518007 1068089847 /nfs/dbraw/zinc/08/98/47/1068089847.db2.gz SGLYUPYVNGZBDE-RBZQAINGSA-N 0 0 450.579 4.928 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)c1cn(Cc2ccccn2)nn1 ZINC001462517744 1068090098 /nfs/dbraw/zinc/09/00/98/1068090098.db2.gz LAGNHLLKNZPUQY-UHFFFAOYSA-N 0 0 451.889 4.578 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)/C=C\SCc2ccco2)c1 ZINC001462519642 1068090689 /nfs/dbraw/zinc/09/06/89/1068090689.db2.gz ZRWWLWBKNXHWDY-IUAWBRRGSA-N 0 0 458.580 4.856 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001462523487 1068090864 /nfs/dbraw/zinc/09/08/64/1068090864.db2.gz LIXAFNGHLANDBT-WCQYABFASA-N 0 0 475.780 4.639 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN(C)C(=O)c2cccc3ncnn32)cc1 ZINC001462527460 1068092039 /nfs/dbraw/zinc/09/20/39/1068092039.db2.gz RKFYTMYFBRVQBX-UHFFFAOYSA-N 0 0 451.324 4.865 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001462530066 1068092175 /nfs/dbraw/zinc/09/21/75/1068092175.db2.gz ZKHCHWZCZRVOCZ-OAHLLOKOSA-N 0 0 451.880 4.660 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCOCC1 ZINC001546132258 1068092357 /nfs/dbraw/zinc/09/23/57/1068092357.db2.gz BGJUFTDPJAWGJY-UHFFFAOYSA-N 0 0 472.939 4.699 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462528517 1068092424 /nfs/dbraw/zinc/09/24/24/1068092424.db2.gz HFPFWVLMLGGWGD-HNNXBMFYSA-N 0 0 457.434 4.896 20 0 JJADRN CCOC(=O)c1sc(C2CCN(Cc3cccc(Br)c3OC)CC2)nc1C ZINC001462530581 1068092652 /nfs/dbraw/zinc/09/26/52/1068092652.db2.gz JPSFFEOOJKKPLM-UHFFFAOYSA-N 0 0 453.402 4.779 20 0 JJADRN Cn1cc(CN2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c(-c2ccc(F)cc2)n1 ZINC001462530377 1068092765 /nfs/dbraw/zinc/09/27/65/1068092765.db2.gz URMHAPBZLLBQQS-UHFFFAOYSA-N 0 0 452.530 4.968 20 0 JJADRN O=C(NCC(F)(F)c1cc(F)cc(F)c1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001462538752 1068094059 /nfs/dbraw/zinc/09/40/59/1068094059.db2.gz NMXGCWGTRWGFKH-GOSISDBHSA-N 0 0 459.281 4.772 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCC1 ZINC001546132298 1068094264 /nfs/dbraw/zinc/09/42/64/1068094264.db2.gz CVVIMZAADUWQBE-MRXNPFEDSA-N 0 0 469.939 4.684 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C(=O)CCn1cnccc1=O ZINC001462538989 1068094559 /nfs/dbraw/zinc/09/45/59/1068094559.db2.gz TUWAPHGHUOUWFF-UHFFFAOYSA-N 0 0 450.297 4.530 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)[C@@H](OC)c3ccc(Br)s3)sc2c1 ZINC001462542469 1068094686 /nfs/dbraw/zinc/09/46/86/1068094686.db2.gz ALJOWGFOKNVLQZ-AWEZNQCLSA-N 0 0 455.355 4.623 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(N(C)C(C)=O)CC2)CCC1 ZINC001546132409 1068097079 /nfs/dbraw/zinc/09/70/79/1068097079.db2.gz HRSYOYCZUCONLJ-UHFFFAOYSA-N 0 0 460.022 4.635 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)c1ccc(C)c(C)c1Cl)C(C)C ZINC001462557151 1068098175 /nfs/dbraw/zinc/09/81/75/1068098175.db2.gz YOCHSAPUUIQBOJ-OAHLLOKOSA-N 0 0 450.988 4.991 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546132453 1068099187 /nfs/dbraw/zinc/09/91/87/1068099187.db2.gz JMHMHMAXGREJGS-FQEVSTJZSA-N 0 0 487.645 4.889 20 0 JJADRN Clc1nc(N2CCOCC2)sc1CNCc1cc(Br)c2ccccc2c1 ZINC001462572368 1068101007 /nfs/dbraw/zinc/10/10/07/1068101007.db2.gz HDSXRKUCSYASBR-UHFFFAOYSA-N 0 0 452.805 4.839 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)c1Cl ZINC001462579117 1068103190 /nfs/dbraw/zinc/10/31/90/1068103190.db2.gz NVDVKBYAFWSANR-SECBINFHSA-N 0 0 455.285 4.692 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462584883 1068104481 /nfs/dbraw/zinc/10/44/81/1068104481.db2.gz URONWAPGDPZTOV-HNAYVOBHSA-N 0 0 452.521 4.699 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N(CCCOC)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC001546132619 1068104529 /nfs/dbraw/zinc/10/45/29/1068104529.db2.gz OHJIJJCDKSJNJM-NRFANRHFSA-N 0 0 495.089 4.599 20 0 JJADRN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1-c1ccsc1 ZINC001462585623 1068105124 /nfs/dbraw/zinc/10/51/24/1068105124.db2.gz FFBGJBCOMGOJTG-UHFFFAOYSA-N 0 0 457.573 4.687 20 0 JJADRN CCn1cc(CN2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588559 1068105720 /nfs/dbraw/zinc/10/57/20/1068105720.db2.gz JGGDSBCLDIFLCX-RBUKOAKNSA-N 0 0 452.521 4.848 20 0 JJADRN COCCOc1cncc(C(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)c1 ZINC001462589579 1068105782 /nfs/dbraw/zinc/10/57/82/1068105782.db2.gz QVNBVYLYIBQOKU-JOCHJYFZSA-N 0 0 455.352 4.731 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C[C@H]1C(F)(F)F ZINC001462590212 1068106589 /nfs/dbraw/zinc/10/65/89/1068106589.db2.gz RAVPQQPYJDRZEC-QZTJIDSGSA-N 0 0 476.426 4.961 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001462591070 1068107040 /nfs/dbraw/zinc/10/70/40/1068107040.db2.gz UZSBLQDMALWYGJ-QMHKHESXSA-N 0 0 457.496 4.814 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Br)cc2I)Cc2ccccc21 ZINC001462610685 1068111431 /nfs/dbraw/zinc/11/14/31/1068111431.db2.gz WBLGMXZRRXOYIW-NSHDSACASA-N 0 0 456.121 4.813 20 0 JJADRN CC(C)c1nsc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)n1 ZINC001462610027 1068111483 /nfs/dbraw/zinc/11/14/83/1068111483.db2.gz OVZGJLYDURCVNY-CYBMUJFWSA-N 0 0 455.378 4.629 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N3CCCSC[C@H]3c3ccccc3OC)CC2=O)cc1 ZINC001462617289 1068112795 /nfs/dbraw/zinc/11/27/95/1068112795.db2.gz DYXHLNGZFCVWRN-REWPJTCUSA-N 0 0 452.620 4.707 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CN1CCc2cc(F)c(Br)cc2C1)CC(F)(F)F ZINC001462616699 1068113057 /nfs/dbraw/zinc/11/30/57/1068113057.db2.gz XQBWSLIJPUDDGL-CYBMUJFWSA-N 0 0 455.290 4.792 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C1(Cc2ccccc2)CCCC1 ZINC001462620372 1068113822 /nfs/dbraw/zinc/11/38/22/1068113822.db2.gz SMWKSRPDRUUORJ-UHFFFAOYSA-N 0 0 459.516 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CCC[C@H]12 ZINC001462621637 1068114198 /nfs/dbraw/zinc/11/41/98/1068114198.db2.gz CACRQUHPGPWVDD-CYFREDJKSA-N 0 0 455.580 4.662 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001462625639 1068115763 /nfs/dbraw/zinc/11/57/63/1068115763.db2.gz DUHAIXVIGALKKN-JTHBVZDNSA-N 0 0 456.627 4.876 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462626464 1068116204 /nfs/dbraw/zinc/11/62/04/1068116204.db2.gz NDFHHZMINSKZOL-YBOAYWMSSA-N 0 0 456.505 4.812 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)CC(C)(C)NC(=O)OCc3ccccc3)s2)c1 ZINC001462628916 1068116882 /nfs/dbraw/zinc/11/68/82/1068116882.db2.gz SQJPYSJPCYSKGX-UHFFFAOYSA-N 0 0 453.564 4.776 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1Br)NCc1cc(Cl)ccc1OCC1CC1 ZINC001462636571 1068120174 /nfs/dbraw/zinc/12/01/74/1068120174.db2.gz SALDWGNOUGQUAW-LJQANCHMSA-N 0 0 452.776 4.765 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001462636378 1068120198 /nfs/dbraw/zinc/12/01/98/1068120198.db2.gz YZQBRADGLVJMQC-MAUKXSAKSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1ncc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c(C2CC2)n1 ZINC001462635808 1068120243 /nfs/dbraw/zinc/12/02/43/1068120243.db2.gz QWORLPKAVNECSE-GCJKJVERSA-N 0 0 456.631 4.988 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)NCCN(Cc2ccccc2)c2ccccn2)n1 ZINC001462636717 1068120863 /nfs/dbraw/zinc/12/08/63/1068120863.db2.gz HVYLSXOUHZHZNY-UHFFFAOYSA-N 0 0 459.575 4.502 20 0 JJADRN CCOc1cc(CNCc2csc(NC(=O)OC(C)(C)C)n2)cc(Br)c1O ZINC001462645254 1068122915 /nfs/dbraw/zinc/12/29/15/1068122915.db2.gz ZAYYMTIZPPKKQE-UHFFFAOYSA-N 0 0 458.378 4.647 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)C[C@H]3CN(c4ccccc4)C(=O)O3)c(F)c2)c(F)c1 ZINC001462646269 1068123075 /nfs/dbraw/zinc/12/30/75/1068123075.db2.gz OJIYZAGTCRWNET-IBGZPJMESA-N 0 0 452.457 4.738 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)NC2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001462650275 1068123818 /nfs/dbraw/zinc/12/38/18/1068123818.db2.gz VRCHIMQPEGRLIG-MRXNPFEDSA-N 0 0 458.521 4.712 20 0 JJADRN CC(C)[C@@H]1CCC[C@@](NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC001462651545 1068124334 /nfs/dbraw/zinc/12/43/34/1068124334.db2.gz ZZYHBFDZAJAIQI-LZJOCLMNSA-N 0 0 450.542 4.666 20 0 JJADRN Cc1cccc(C2=CCN(Cc3cnnn3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001462657157 1068125902 /nfs/dbraw/zinc/12/59/02/1068125902.db2.gz HOBRBQIGNRMIMC-JOCHJYFZSA-N 0 0 451.615 4.756 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)c1cc(Br)ccc1Cl)O2 ZINC001462677242 1068129265 /nfs/dbraw/zinc/12/92/65/1068129265.db2.gz OEULLSAOYDQQKT-JGOZLAPISA-N 0 0 458.780 4.502 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N[C@H](C)c3cc(Cl)cc(Cl)c3F)cn2)cc1OC ZINC001462679938 1068129834 /nfs/dbraw/zinc/12/98/34/1068129834.db2.gz RNYXJFYHHGDHIC-GFCCVEGCSA-N 0 0 452.313 4.886 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001462678735 1068129873 /nfs/dbraw/zinc/12/98/73/1068129873.db2.gz IXSLKJLNOJSWFS-LJQANCHMSA-N 0 0 450.604 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)[C@@H]2C1 ZINC001462681284 1068130634 /nfs/dbraw/zinc/13/06/34/1068130634.db2.gz XOSMQKAHNVUOOX-OSYLJGHBSA-N 0 0 450.457 4.808 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)c1 ZINC001462684742 1068131300 /nfs/dbraw/zinc/13/13/00/1068131300.db2.gz DWCSNHOQPBQPCJ-UHFFFAOYSA-N 0 0 454.246 4.592 20 0 JJADRN CN(Cc1ccc2ccccc2c1)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001462694120 1068133350 /nfs/dbraw/zinc/13/33/50/1068133350.db2.gz IEIRDDZVUDVQME-QHCPKHFHSA-N 0 0 456.995 4.560 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC001462692480 1068133365 /nfs/dbraw/zinc/13/33/65/1068133365.db2.gz ALGAIFMEHPZBIM-SNVBAGLBSA-N 0 0 451.155 4.531 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC001462696182 1068134168 /nfs/dbraw/zinc/13/41/68/1068134168.db2.gz SBVCVHFYTPVPFS-UHFFFAOYSA-N 0 0 452.985 4.535 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3c(F)cc(Br)cc3F)ccc12 ZINC001462696437 1068134712 /nfs/dbraw/zinc/13/47/12/1068134712.db2.gz QSAKDVVHPPPZDU-UHFFFAOYSA-N 0 0 459.264 4.554 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC001462697216 1068134717 /nfs/dbraw/zinc/13/47/17/1068134717.db2.gz WZACEFNOOYAFBD-UHFFFAOYSA-N 0 0 451.411 4.768 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1)C(F)(F)F ZINC001462698934 1068135158 /nfs/dbraw/zinc/13/51/58/1068135158.db2.gz GXHUINQXUPUASK-UHFFFAOYSA-N 0 0 458.477 4.850 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Oc2ccc3cc(Br)ccc3c2)c1 ZINC001462702821 1068135758 /nfs/dbraw/zinc/13/57/58/1068135758.db2.gz ZAKILNRAMWJWIR-UHFFFAOYSA-N 0 0 453.285 4.604 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001462703777 1068136534 /nfs/dbraw/zinc/13/65/34/1068136534.db2.gz DBJXOCGGBJXQHY-KRWDZBQOSA-N 0 0 458.381 4.896 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)N[C@H]1CCOc2ccc(Br)cc21 ZINC001462704137 1068137005 /nfs/dbraw/zinc/13/70/05/1068137005.db2.gz LOFJUDGZBMLTHH-NRFANRHFSA-N 0 0 453.336 4.606 20 0 JJADRN O=C(NC1(C(=O)NCc2cc(Br)c3ccccc3c2)CC1)OCc1ccccc1 ZINC001462708261 1068138305 /nfs/dbraw/zinc/13/83/05/1068138305.db2.gz VTGXEEKUGSAQSH-UHFFFAOYSA-N 0 0 453.336 4.678 20 0 JJADRN O=C(NCc1cc(Br)c2ccccc2c1)c1ccc2c(Br)cnn2c1 ZINC001462708741 1068138969 /nfs/dbraw/zinc/13/89/69/1068138969.db2.gz XIKDRRPCLRBSSL-UHFFFAOYSA-N 0 0 459.141 4.943 20 0 JJADRN COc1cc(C(=O)Nc2nc3c(cccc3Br)[nH]2)ccc1OCc1cscn1 ZINC001462710944 1068139027 /nfs/dbraw/zinc/13/90/27/1068139027.db2.gz NSHOANVHZZSNNC-UHFFFAOYSA-N 0 0 459.325 4.622 20 0 JJADRN C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)CC2(Cn3cnnn3)CCCCC2)C1 ZINC001462712237 1068139414 /nfs/dbraw/zinc/13/94/14/1068139414.db2.gz UKXGLUYXFFUSHP-CQSZACIVSA-N 0 0 455.912 4.911 20 0 JJADRN O=S(=O)(NCc1nc2ccccc2s1)c1cc(Cl)c(Cl)cc1Br ZINC001462711744 1068139428 /nfs/dbraw/zinc/13/94/28/1068139428.db2.gz ZZYIVLKEHGAJRQ-UHFFFAOYSA-N 0 0 452.182 4.844 20 0 JJADRN O=C(NCCc1ccc(Cl)c(Cl)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC001462715365 1068140130 /nfs/dbraw/zinc/14/01/30/1068140130.db2.gz LUVREJGZRNKDQC-XSFVSMFZSA-N 0 0 454.317 4.597 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462718241 1068141386 /nfs/dbraw/zinc/14/13/86/1068141386.db2.gz MFYRNRHOSFTUKB-ZDUSSCGKSA-N 0 0 450.771 4.888 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)cc1 ZINC001462721006 1068141726 /nfs/dbraw/zinc/14/17/26/1068141726.db2.gz JEJOKDLKUUSHJE-NRFANRHFSA-N 0 0 455.986 4.554 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 ZINC001462722425 1068142427 /nfs/dbraw/zinc/14/24/27/1068142427.db2.gz BYVFNGFFBISYMB-UHFFFAOYSA-N 0 0 458.580 4.851 20 0 JJADRN O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)Oc1ccc2oc3c(c2c1)CCCC3 ZINC001462724434 1068143500 /nfs/dbraw/zinc/14/35/00/1068143500.db2.gz HDEOUIACIKUQFY-GDLZYMKVSA-N 0 0 459.467 4.982 20 0 JJADRN CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462726908 1068144631 /nfs/dbraw/zinc/14/46/31/1068144631.db2.gz WIONFHUSXBDEEV-UHFFFAOYSA-N 0 0 458.377 4.720 20 0 JJADRN COc1cccc([C@@H](CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)N2CCCC2)c1 ZINC001462727078 1068144723 /nfs/dbraw/zinc/14/47/23/1068144723.db2.gz DJZSDUUNDJXJCJ-LJQANCHMSA-N 0 0 457.423 4.734 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@@H](C)[C@H]3c3ccccc3)n2)cc(Cl)c1OC ZINC001462726279 1068144810 /nfs/dbraw/zinc/14/48/10/1068144810.db2.gz YRGWYYYPXSHXBJ-QRQCRPRQSA-N 0 0 455.942 4.950 20 0 JJADRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1cc(C(F)(F)F)ccc1Br ZINC001462728370 1068145857 /nfs/dbraw/zinc/14/58/57/1068145857.db2.gz CYHWSLGJGSAZQZ-UHFFFAOYSA-N 0 0 456.237 4.652 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC001462729244 1068145901 /nfs/dbraw/zinc/14/59/01/1068145901.db2.gz KMYMAGRVTIMDHT-UHFFFAOYSA-N 0 0 450.417 4.666 20 0 JJADRN COc1ccc([C@@H](CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)N2CCCC2)cc1 ZINC001462730623 1068146538 /nfs/dbraw/zinc/14/65/38/1068146538.db2.gz HVHOQOSRQJHEAU-LJQANCHMSA-N 0 0 451.013 4.679 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NCc2nc(Cc3ccccc3F)no2)cs1 ZINC001462733007 1068147204 /nfs/dbraw/zinc/14/72/04/1068147204.db2.gz JXBDNLFWUSCCJU-UHFFFAOYSA-N 0 0 454.552 4.787 20 0 JJADRN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC001462734963 1068148223 /nfs/dbraw/zinc/14/82/23/1068148223.db2.gz VRMCIAJMXLOBJW-CQSZACIVSA-N 0 0 458.919 4.671 20 0 JJADRN COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)[nH]1 ZINC001462735234 1068148329 /nfs/dbraw/zinc/14/83/29/1068148329.db2.gz XQMGLOXUHFNIEP-UHFFFAOYSA-N 0 0 459.506 4.557 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001462738698 1068149435 /nfs/dbraw/zinc/14/94/35/1068149435.db2.gz FKGWYLITQGJJAL-KSFYIVLOSA-N 0 0 451.954 4.582 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001546133950 1068149488 /nfs/dbraw/zinc/14/94/88/1068149488.db2.gz GKUQANGCLSCKMH-GOSISDBHSA-N 0 0 493.446 4.537 20 0 JJADRN CC[C@@H](C)c1ccc([C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C(C)C)cc1 ZINC001462739312 1068150156 /nfs/dbraw/zinc/15/01/56/1068150156.db2.gz JGXOQACJLVKHMT-QRQCRPRQSA-N 0 0 451.560 4.810 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1cc(Br)cc(Br)c1 ZINC001462740384 1068150511 /nfs/dbraw/zinc/15/05/11/1068150511.db2.gz PXAYOUZEXRVRPQ-APPDUMDISA-N 0 0 467.157 4.592 20 0 JJADRN Cc1cc(C(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)nn1-c1cccc(Cl)c1 ZINC001462740655 1068150594 /nfs/dbraw/zinc/15/05/94/1068150594.db2.gz UBSHTUNIOCZAOA-UHFFFAOYSA-N 0 0 455.946 4.530 20 0 JJADRN CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(C4CCCCC4)cc3)CC2)c(F)c1 ZINC001462742991 1068151801 /nfs/dbraw/zinc/15/18/01/1068151801.db2.gz CBBUJUWCENNJOI-UHFFFAOYSA-N 0 0 458.599 4.728 20 0 JJADRN CCCN(CCC)S(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC001462743752 1068152523 /nfs/dbraw/zinc/15/25/23/1068152523.db2.gz CFZWEQHSRYXDDK-UHFFFAOYSA-N 0 0 454.640 4.955 20 0 JJADRN CCCCc1ccc([C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C(C)C)cc1 ZINC001462743638 1068152574 /nfs/dbraw/zinc/15/25/74/1068152574.db2.gz ASXQEDKMVLSHFV-JWQCQUIFSA-N 0 0 456.652 4.951 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1Cl ZINC001462743773 1068152610 /nfs/dbraw/zinc/15/26/10/1068152610.db2.gz KAGBZNQRSKBKBS-HXUWFJFHSA-N 0 0 452.960 4.833 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)Cc2cnc(C)s2)CCOCC1 ZINC001546134008 1068153131 /nfs/dbraw/zinc/15/31/31/1068153131.db2.gz IJCHIMBCRCUGSC-UHFFFAOYSA-N 0 0 471.627 4.570 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462748153 1068153746 /nfs/dbraw/zinc/15/37/46/1068153746.db2.gz RXFIUOBFGAEWOV-SXLOBPIMSA-N 0 0 459.555 4.746 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Br)ccc(OC)c2F)cc1 ZINC001462747713 1068153772 /nfs/dbraw/zinc/15/37/72/1068153772.db2.gz QWIACCGQCCKNHC-INIZCTEOSA-N 0 0 458.349 4.521 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)S(=O)(=O)CC2CC(F)(F)C2)cc1C ZINC001462748769 1068153879 /nfs/dbraw/zinc/15/38/79/1068153879.db2.gz SXZAITRJEVOVAT-UHFFFAOYSA-N 0 0 459.562 4.963 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](CCCc2ccccc2)c2ccccc2)c1 ZINC001462749713 1068154355 /nfs/dbraw/zinc/15/43/55/1068154355.db2.gz AJTJCMBRQUOTPD-HSZRJFAPSA-N 0 0 455.551 4.963 20 0 JJADRN O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750020 1068154418 /nfs/dbraw/zinc/15/44/18/1068154418.db2.gz RTQLOAHLEMOTKC-PMACEKPBSA-N 0 0 451.419 4.882 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(C)C)cc2)cc1 ZINC001462750459 1068155119 /nfs/dbraw/zinc/15/51/19/1068155119.db2.gz AUENTIZNHPHIPP-RUZDIDTESA-N 0 0 450.604 4.817 20 0 JJADRN COc1ccc(F)cc1CCNC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC ZINC001462750957 1068155153 /nfs/dbraw/zinc/15/51/53/1068155153.db2.gz BQBKOGAZXMYWPJ-UHFFFAOYSA-N 0 0 452.910 4.816 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1Br)NCCCCOc1ccc(Cl)cc1 ZINC001462757443 1068157625 /nfs/dbraw/zinc/15/76/25/1068157625.db2.gz ZSNMWEWUHNHQQK-UHFFFAOYSA-N 0 0 450.757 4.520 20 0 JJADRN CCN(C(=O)CCSc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462759186 1068157638 /nfs/dbraw/zinc/15/76/38/1068157638.db2.gz PIOKFPAKRUBPBZ-MRXNPFEDSA-N 0 0 457.434 4.789 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC001462763802 1068159418 /nfs/dbraw/zinc/15/94/18/1068159418.db2.gz TUVBOFSGDJRWSS-UHFFFAOYSA-N 0 0 450.285 4.608 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001546134094 1068159542 /nfs/dbraw/zinc/15/95/42/1068159542.db2.gz LELUCDSSJDSUET-UHFFFAOYSA-N 0 0 474.671 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC001462763470 1068159645 /nfs/dbraw/zinc/15/96/45/1068159645.db2.gz JPPSBANSQGZLJS-CYBMUJFWSA-N 0 0 451.341 4.935 20 0 JJADRN CN(Cc1ccccc1Br)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001462766298 1068160153 /nfs/dbraw/zinc/16/01/53/1068160153.db2.gz MKNCSLFLIYJKKF-UHFFFAOYSA-N 0 0 451.317 4.596 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001462766306 1068160293 /nfs/dbraw/zinc/16/02/93/1068160293.db2.gz MPCMJULCGHNTCG-QFIPXVFZSA-N 0 0 451.567 4.792 20 0 JJADRN CCCO[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1C ZINC001462771010 1068162323 /nfs/dbraw/zinc/16/23/23/1068162323.db2.gz WXOQXAVCYAMWAE-VSKRKVRLSA-N 0 0 452.492 4.781 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C3)c2)c1C ZINC001462770998 1068162435 /nfs/dbraw/zinc/16/24/35/1068162435.db2.gz WBVPQBYNXYPYFI-DYESRHJHSA-N 0 0 454.615 4.674 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(F)cc1Br ZINC001462771906 1068162936 /nfs/dbraw/zinc/16/29/36/1068162936.db2.gz OVZNBFAVJCMGGW-UHFFFAOYSA-N 0 0 451.361 4.946 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2)ccn1 ZINC001462774502 1068164375 /nfs/dbraw/zinc/16/43/75/1068164375.db2.gz FAOWTYZZBLPQNA-UHFFFAOYSA-N 0 0 458.927 4.623 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)Cc3ccc(Br)cc3F)cc2)ccn1 ZINC001462777712 1068165261 /nfs/dbraw/zinc/16/52/61/1068165261.db2.gz VLKJHTPIPFWLAP-UHFFFAOYSA-N 0 0 459.271 4.743 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)cs1 ZINC001462777851 1068165436 /nfs/dbraw/zinc/16/54/36/1068165436.db2.gz OOTTWBPMRLVSSI-UHFFFAOYSA-N 0 0 456.589 4.744 20 0 JJADRN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001462778808 1068165899 /nfs/dbraw/zinc/16/58/99/1068165899.db2.gz UOGSVXGAFPWRSR-UHFFFAOYSA-N 0 0 454.495 4.910 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546133852 1068166511 /nfs/dbraw/zinc/16/65/11/1068166511.db2.gz BWUBBQOOFDEMKV-JOCHJYFZSA-N 0 0 499.656 4.654 20 0 JJADRN Cc1csc(CNS(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)n1 ZINC001462781020 1068166534 /nfs/dbraw/zinc/16/65/34/1068166534.db2.gz ZVFXMXBYZYZMEQ-UHFFFAOYSA-N 0 0 457.346 4.624 20 0 JJADRN COC(=O)[C@H](NC(=O)CN(C(=O)c1ccccc1)c1ccccc1)c1cccc2ccccc21 ZINC001462783931 1068167001 /nfs/dbraw/zinc/16/70/01/1068167001.db2.gz KMMPLSMTCUSBFE-AREMUKBSSA-N 0 0 452.510 4.517 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCCC1 ZINC001546133906 1068167046 /nfs/dbraw/zinc/16/70/46/1068167046.db2.gz DXNNOSNLRHCICF-FQEVSTJZSA-N 0 0 483.657 4.626 20 0 JJADRN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001462787571 1068167494 /nfs/dbraw/zinc/16/74/94/1068167494.db2.gz FAPQXDPSTZYYBS-AUSIDOKSSA-N 0 0 450.514 4.678 20 0 JJADRN O=C(NCc1cc(Br)ccc1Cl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001462792197 1068168419 /nfs/dbraw/zinc/16/84/19/1068168419.db2.gz CRPZLHSFNQULDV-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCCSc1ccccc1 ZINC001462793323 1068169014 /nfs/dbraw/zinc/16/90/14/1068169014.db2.gz KCNOJISKVYLRNG-UHFFFAOYSA-N 0 0 450.807 4.572 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCC1 ZINC001546134114 1068169121 /nfs/dbraw/zinc/16/91/21/1068169121.db2.gz MAIPKBGCXYUHGX-UHFFFAOYSA-N 0 0 453.631 4.619 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC001462795495 1068170118 /nfs/dbraw/zinc/17/01/18/1068170118.db2.gz ULOVRIKQXHYUGO-VLWSNBPUSA-N 0 0 451.441 4.806 20 0 JJADRN CC(C)Oc1ccc(F)cc1S(=O)(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC001462802289 1068171257 /nfs/dbraw/zinc/17/12/57/1068171257.db2.gz DMZNHDNRUMQZBX-UHFFFAOYSA-N 0 0 454.567 4.654 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCC1 ZINC001546134174 1068171768 /nfs/dbraw/zinc/17/17/68/1068171768.db2.gz OCBQJFRDUQEPAT-IBGZPJMESA-N 0 0 499.656 4.988 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CC2 ZINC001462807088 1068172849 /nfs/dbraw/zinc/17/28/49/1068172849.db2.gz NPVXOTKFINJRMD-KBPBESRZSA-N 0 0 457.436 4.811 20 0 JJADRN CC(C)COc1ccc(S(=O)(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC001462810305 1068172875 /nfs/dbraw/zinc/17/28/75/1068172875.db2.gz ZEWZAJVUKJBHKB-UHFFFAOYSA-N 0 0 450.604 4.763 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)cc1OC(F)F ZINC001462808901 1068172925 /nfs/dbraw/zinc/17/29/25/1068172925.db2.gz IXWBKWUTVKIBBK-UHFFFAOYSA-N 0 0 451.516 4.926 20 0 JJADRN O=S(=O)(NCc1ccc(CN2CCc3ccccc32)cc1)C1CCC(C(F)(F)F)CC1 ZINC001462810447 1068173346 /nfs/dbraw/zinc/17/33/46/1068173346.db2.gz ZWPHZKVQZVNHPB-UHFFFAOYSA-N 0 0 452.542 4.790 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)o2)CCOCC1 ZINC001546134220 1068173410 /nfs/dbraw/zinc/17/34/10/1068173410.db2.gz PSWSFGNDWWCGTC-UHFFFAOYSA-N 0 0 454.571 4.707 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(N)=O)c2O1 ZINC001462812657 1068173997 /nfs/dbraw/zinc/17/39/97/1068173997.db2.gz FEINVLSOXBMLKL-UHFFFAOYSA-N 0 0 456.951 4.898 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCCc1ccc2c(c1)OCCCO2 ZINC001462813117 1068174011 /nfs/dbraw/zinc/17/40/11/1068174011.db2.gz GWKRVLROGFARCF-UHFFFAOYSA-N 0 0 451.950 4.982 20 0 JJADRN Cc1cc(C(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)nc(-c2ccc(Cl)cc2)n1 ZINC001462813720 1068174606 /nfs/dbraw/zinc/17/46/06/1068174606.db2.gz PQUOAUILFMYYER-UHFFFAOYSA-N 0 0 453.930 4.777 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(N)=O ZINC001462815195 1068175042 /nfs/dbraw/zinc/17/50/42/1068175042.db2.gz XDMBNGLPOFKTKT-LBPRGKRZSA-N 0 0 451.976 4.751 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@H]4CCCC(=O)N4)c3)s2)cc1OC ZINC001462815148 1068175056 /nfs/dbraw/zinc/17/50/56/1068175056.db2.gz LVJXTWZACNLJNC-GOSISDBHSA-N 0 0 451.548 4.729 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC001462820548 1068176319 /nfs/dbraw/zinc/17/63/19/1068176319.db2.gz XJRJPFVISZFABB-SJCJKPOMSA-N 0 0 457.470 4.562 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCc1ccnn1-c1ccccc1 ZINC001462822348 1068177315 /nfs/dbraw/zinc/17/73/15/1068177315.db2.gz ZSZWKXFYQZJGLX-UHFFFAOYSA-N 0 0 452.967 4.842 20 0 JJADRN CC(C)(C)c1ccc(CCNS(=O)(=O)c2cnc3c(Br)csc3c2)cc1 ZINC001462823910 1068178063 /nfs/dbraw/zinc/17/80/63/1068178063.db2.gz JIPRPCXDHDEACU-UHFFFAOYSA-N 0 0 453.427 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC001462824271 1068178103 /nfs/dbraw/zinc/17/81/03/1068178103.db2.gz LUUMDCRNPTUUEV-KBPBESRZSA-N 0 0 454.461 4.919 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 ZINC001462824783 1068178106 /nfs/dbraw/zinc/17/81/06/1068178106.db2.gz QVXRYDGDIONZAO-UHFFFAOYSA-N 0 0 459.502 4.659 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC001462826352 1068179123 /nfs/dbraw/zinc/17/91/23/1068179123.db2.gz PSQLIZMSRYZOHV-SUMWQHHRSA-N 0 0 457.880 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC001462826458 1068179188 /nfs/dbraw/zinc/17/91/88/1068179188.db2.gz QDMWEKHFFDQOLI-QZTJIDSGSA-N 0 0 458.546 4.572 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)NCc3cc(NC(=O)OC(C)(C)C)ccn3)nc2)cc1 ZINC001462827472 1068179473 /nfs/dbraw/zinc/17/94/73/1068179473.db2.gz XQHUPVSOWCZSRY-UHFFFAOYSA-N 0 0 450.495 4.555 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Br ZINC001462827705 1068179601 /nfs/dbraw/zinc/17/96/01/1068179601.db2.gz PZOIKHGFGKQEOD-LLVKDONJSA-N 0 0 452.292 4.602 20 0 JJADRN C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 ZINC001462829724 1068181389 /nfs/dbraw/zinc/18/13/89/1068181389.db2.gz SKVFRAPFSVRJSI-HZPDHXFCSA-N 0 0 452.979 4.812 20 0 JJADRN COc1ccc(N(CCC(=O)N2CC[C@@H](C)C[C@@H](C)C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001462830101 1068181421 /nfs/dbraw/zinc/18/14/21/1068181421.db2.gz UUGBZPVNGGGHPK-WOJBJXKFSA-N 0 0 472.651 4.792 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001462829963 1068181508 /nfs/dbraw/zinc/18/15/08/1068181508.db2.gz IJXZAVXDPNXDFG-WDNCENIBSA-N 0 0 464.587 4.622 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@@H]1CCCC2(CCC2)O1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830708 1068181908 /nfs/dbraw/zinc/18/19/08/1068181908.db2.gz GWJODMLXXDBQDJ-AVRDEDQJSA-N 0 0 457.596 4.803 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@H]1CCCC2(CCC2)O1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830712 1068182034 /nfs/dbraw/zinc/18/20/34/1068182034.db2.gz GWJODMLXXDBQDJ-PGRDOPGGSA-N 0 0 457.596 4.803 20 0 JJADRN Cc1c(C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)nnn1-c1cccc(C)c1 ZINC001462831701 1068182611 /nfs/dbraw/zinc/18/26/11/1068182611.db2.gz RNIZEWTTXLSCCN-HSZRJFAPSA-N 0 0 453.384 4.884 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1N1CCOCC1 ZINC001462833397 1068183131 /nfs/dbraw/zinc/18/31/31/1068183131.db2.gz ZUXNCFARMZKYJX-DEOSSOPVSA-N 0 0 457.412 4.832 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC001462832893 1068183189 /nfs/dbraw/zinc/18/31/89/1068183189.db2.gz BPQTYZJAXDDYEF-LBPRGKRZSA-N 0 0 455.399 4.758 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC001462845737 1068188076 /nfs/dbraw/zinc/18/80/76/1068188076.db2.gz ORCVAYRODIIGPH-LJQANCHMSA-N 0 0 453.944 4.704 20 0 JJADRN O=C(Nc1cccc(OS(=O)(=O)Cc2ccsc2Br)c1)c1ccccc1 ZINC001462847132 1068188655 /nfs/dbraw/zinc/18/86/55/1068188655.db2.gz ZVIIGZPMUHRKAR-UHFFFAOYSA-N 0 0 452.351 4.672 20 0 JJADRN CC(C)NC(=O)N(C)c1ccc(OS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC001462851086 1068190091 /nfs/dbraw/zinc/19/00/91/1068190091.db2.gz DPRNNHOAMVFVHS-UHFFFAOYSA-N 0 0 450.866 4.681 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)cc21 ZINC001462852786 1068190967 /nfs/dbraw/zinc/19/09/67/1068190967.db2.gz JYSWJFWPLULFSW-DEOSSOPVSA-N 0 0 454.979 4.707 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)cc21 ZINC001462852795 1068191092 /nfs/dbraw/zinc/19/10/92/1068191092.db2.gz JYSWJFWPLULFSW-XMMPIXPASA-N 0 0 454.979 4.707 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)cn1 ZINC001462853054 1068191125 /nfs/dbraw/zinc/19/11/25/1068191125.db2.gz XQFXZIPZQKQPKZ-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(Cl)c1 ZINC001462853905 1068191635 /nfs/dbraw/zinc/19/16/35/1068191635.db2.gz OPMFQJXSQQDRPD-HXUWFJFHSA-N 0 0 450.343 4.848 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1Br)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001462854783 1068191778 /nfs/dbraw/zinc/19/17/78/1068191778.db2.gz QMNWINGMPBBUSN-OAHLLOKOSA-N 0 0 451.361 4.779 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc32)cc1I ZINC001462855943 1068192415 /nfs/dbraw/zinc/19/24/15/1068192415.db2.gz SRSVBRSTQDVIBJ-UHFFFAOYSA-N 0 0 451.329 4.574 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2ccccc2Br)ccc1OCCC(C)C ZINC001462860662 1068193961 /nfs/dbraw/zinc/19/39/61/1068193961.db2.gz WIMOWJOEBCTPHP-HNNXBMFYSA-N 0 0 456.402 4.922 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)N(C)Cc2cc(Cl)cc(Cl)c2)ccc1Br ZINC001462860882 1068193993 /nfs/dbraw/zinc/19/39/93/1068193993.db2.gz FOIJMAZNRPQXND-UHFFFAOYSA-N 0 0 451.169 4.779 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)ccc1OCCC(C)C ZINC001462861018 1068194073 /nfs/dbraw/zinc/19/40/73/1068194073.db2.gz YLQNSFCGQBGISC-WDNCENIBSA-N 0 0 461.624 4.803 20 0 JJADRN CCOc1cc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1OC(F)F ZINC001462861564 1068194346 /nfs/dbraw/zinc/19/43/46/1068194346.db2.gz RFUJMDKJVGCVKQ-UHFFFAOYSA-N 0 0 459.820 4.837 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cc(I)c(F)cc3F)CC2)cc1 ZINC001546134685 1068195053 /nfs/dbraw/zinc/19/50/53/1068195053.db2.gz DQWMXCHNXOWHQK-UHFFFAOYSA-N 0 0 455.286 4.973 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c1C ZINC001462862853 1068195080 /nfs/dbraw/zinc/19/50/80/1068195080.db2.gz SLVRSVCTLZVTGU-INIZCTEOSA-N 0 0 453.178 4.986 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c1C ZINC001462862858 1068195226 /nfs/dbraw/zinc/19/52/26/1068195226.db2.gz SLVRSVCTLZVTGU-MRXNPFEDSA-N 0 0 453.178 4.986 20 0 JJADRN O=S(=O)(c1c(Cl)cc(F)cc1Br)N(Cc1ccc(F)cc1F)C1CC1 ZINC001462865385 1068195725 /nfs/dbraw/zinc/19/57/25/1068195725.db2.gz WULOGBYSCLAHPW-UHFFFAOYSA-N 0 0 454.695 4.873 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](CC)c1cc(F)ccc1OC ZINC001462866035 1068196138 /nfs/dbraw/zinc/19/61/38/1068196138.db2.gz WASPWLYCOCCWKW-CRAIPNDOSA-N 0 0 453.601 4.766 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](CC)c1cc(F)ccc1OC ZINC001462866036 1068196223 /nfs/dbraw/zinc/19/62/23/1068196223.db2.gz WASPWLYCOCCWKW-MAUKXSAKSA-N 0 0 453.601 4.766 20 0 JJADRN O=C(Nc1ccc2cc(Br)cnc2n1)c1cccnc1OCc1ccccc1F ZINC001462866680 1068196718 /nfs/dbraw/zinc/19/67/18/1068196718.db2.gz SMUIZLBLHGAOIZ-UHFFFAOYSA-N 0 0 453.271 4.758 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N=[S@](C)(=O)C3CCCCC3)CC2)c2ccccc12 ZINC001462867110 1068196752 /nfs/dbraw/zinc/19/67/52/1068196752.db2.gz CAGRTKPWKSMSQB-JGCGQSQUSA-N 0 0 456.608 4.658 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@@H](C2CC2)O1)N(Cc1cccs1)c1ccc(Br)cc1 ZINC001462871909 1068198545 /nfs/dbraw/zinc/19/85/45/1068198545.db2.gz DPNDZWWFNOKRIJ-MJGOQNOKSA-N 0 0 456.427 4.805 20 0 JJADRN CC(=O)N1CCc2ccc(S(=O)(=O)N([C@@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc21 ZINC001462873972 1068199139 /nfs/dbraw/zinc/19/91/39/1068199139.db2.gz SMEDRMSAVMYCAI-AWEZNQCLSA-N 0 0 452.498 4.529 20 0 JJADRN CCOC1(CS(=O)(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC001462876010 1068199480 /nfs/dbraw/zinc/19/94/80/1068199480.db2.gz MEUIQAIQKNZXHO-UHFFFAOYSA-N 0 0 458.407 4.588 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 ZINC001462876311 1068199605 /nfs/dbraw/zinc/19/96/05/1068199605.db2.gz VAFUFAZBXBTRPN-HXUWFJFHSA-N 0 0 450.329 4.665 20 0 JJADRN CC(C)(C(=O)Nc1nc2c(s1)CCc1sccc1-2)S(=O)(=O)c1ccc(Cl)cc1 ZINC001462881266 1068201666 /nfs/dbraw/zinc/20/16/66/1068201666.db2.gz BKNZLIVUTINGLW-UHFFFAOYSA-N 0 0 453.010 4.815 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc(C)c1OCC(F)(F)F ZINC001462880514 1068201682 /nfs/dbraw/zinc/20/16/82/1068201682.db2.gz SQWNNYLGBSCYLG-UHFFFAOYSA-N 0 0 453.885 4.999 20 0 JJADRN CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1nc[nH]c1Br ZINC001462882054 1068201739 /nfs/dbraw/zinc/20/17/39/1068201739.db2.gz YINWFBMSKDYAEO-UHFFFAOYSA-N 0 0 455.205 4.716 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC001462880594 1068201753 /nfs/dbraw/zinc/20/17/53/1068201753.db2.gz TUNGWEYKBZIYOT-QGZVFWFLSA-N 0 0 456.539 4.905 20 0 JJADRN C[S@@](=O)(=NC(=O)c1cccc(OCc2cscn2)c1)c1cccc(Br)c1 ZINC001462885903 1068202675 /nfs/dbraw/zinc/20/26/75/1068202675.db2.gz WOOWHOXXUWXDLF-SANMLTNESA-N 0 0 451.367 4.782 20 0 JJADRN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC001462884735 1068202786 /nfs/dbraw/zinc/20/27/86/1068202786.db2.gz BCXWIYZKYVFPPO-HNNXBMFYSA-N 0 0 454.386 4.624 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC001462886147 1068203185 /nfs/dbraw/zinc/20/31/85/1068203185.db2.gz IUMQGNLCTPTGIT-LBPRGKRZSA-N 0 0 456.789 4.531 20 0 JJADRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC001462888001 1068203899 /nfs/dbraw/zinc/20/38/99/1068203899.db2.gz RHWTYEYNSRXIKX-UHFFFAOYSA-N 0 0 455.963 4.869 20 0 JJADRN C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462888602 1068203908 /nfs/dbraw/zinc/20/39/08/1068203908.db2.gz UPKZEZQIZBYZKM-VIFPVBQESA-N 0 0 457.148 4.641 20 0 JJADRN O=C(Cc1ccc(OCc2ccccn2)cc1)OCc1ccccc1I ZINC001462890619 1068204441 /nfs/dbraw/zinc/20/44/41/1068204441.db2.gz PNUIWKYNWBRFSV-UHFFFAOYSA-N 0 0 459.283 4.551 20 0 JJADRN COC(=O)c1c(F)ccc(F)c1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1 ZINC001462890454 1068204496 /nfs/dbraw/zinc/20/44/96/1068204496.db2.gz FCSQYGDKWKJFMY-UHFFFAOYSA-N 0 0 455.457 4.781 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(C(F)(F)F)cc1F ZINC001462893448 1068205438 /nfs/dbraw/zinc/20/54/38/1068205438.db2.gz AVIKAXIWFIOPKP-UHFFFAOYSA-N 0 0 451.869 4.525 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccn(CCC(F)(F)F)n2)c(F)c(F)c1F ZINC001462896359 1068207179 /nfs/dbraw/zinc/20/71/79/1068207179.db2.gz SJVYJKYZQVJXQU-UHFFFAOYSA-N 0 0 452.355 4.852 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)Cc1csc(Br)c1 ZINC001462897659 1068207632 /nfs/dbraw/zinc/20/76/32/1068207632.db2.gz VCLAPZOMWJIBIG-UHFFFAOYSA-N 0 0 457.184 4.541 20 0 JJADRN COC(=O)c1cc(F)c(COC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(F)c1 ZINC001462898973 1068208130 /nfs/dbraw/zinc/20/81/30/1068208130.db2.gz HBWRKKCZDZHWSR-UHFFFAOYSA-N 0 0 451.878 4.738 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2=O ZINC001462898926 1068208228 /nfs/dbraw/zinc/20/82/28/1068208228.db2.gz OWHZKMSIZVTUCH-UHFFFAOYSA-N 0 0 459.745 4.922 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)cc2F)c1 ZINC001462900433 1068208650 /nfs/dbraw/zinc/20/86/50/1068208650.db2.gz GESZFRNFAXGCKX-UHFFFAOYSA-N 0 0 457.477 4.666 20 0 JJADRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC001462899737 1068208670 /nfs/dbraw/zinc/20/86/70/1068208670.db2.gz IIRXOGITBZXCPJ-UHFFFAOYSA-N 0 0 457.777 4.593 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ncccc2NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135016 1068208684 /nfs/dbraw/zinc/20/86/84/1068208684.db2.gz LWIVGFCMCWHQOP-REWPJTCUSA-N 0 0 458.965 4.567 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3ccc(F)cc3C)c2)cc1 ZINC001462899726 1068208764 /nfs/dbraw/zinc/20/87/64/1068208764.db2.gz LAELBTIHNFUWQZ-QGZVFWFLSA-N 0 0 457.523 4.886 20 0 JJADRN C[C@@H](COc1ccccc1F)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462901647 1068209407 /nfs/dbraw/zinc/20/94/07/1068209407.db2.gz NTPJLPWKXYPHNY-VIFPVBQESA-N 0 0 457.148 4.641 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001462902934 1068209749 /nfs/dbraw/zinc/20/97/49/1068209749.db2.gz MVXIMERUEYULQO-JTQLQIEISA-N 0 0 459.820 4.922 20 0 JJADRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(I)c1 ZINC001462905601 1068210497 /nfs/dbraw/zinc/21/04/97/1068210497.db2.gz FUHWUORJTZXYOT-CYBMUJFWSA-N 0 0 455.317 4.809 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N(Cc1cccc(F)c1)C(C)C ZINC001462904088 1068210571 /nfs/dbraw/zinc/21/05/71/1068210571.db2.gz XIDAOTWOOXVYLY-UHFFFAOYSA-N 0 0 450.757 4.850 20 0 JJADRN Cc1cnc(Br)c(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 ZINC001462911204 1068212104 /nfs/dbraw/zinc/21/21/04/1068212104.db2.gz XABRLILMQMQOAV-UHFFFAOYSA-N 0 0 458.287 4.561 20 0 JJADRN O=S(=O)(c1ccc(F)c(Br)c1F)N1CCC[C@H]1Cc1ccccc1Cl ZINC001462911585 1068212226 /nfs/dbraw/zinc/21/22/26/1068212226.db2.gz LWCZCTMBFZFUPF-LBPRGKRZSA-N 0 0 450.732 4.777 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)sc1Br ZINC001462918250 1068213794 /nfs/dbraw/zinc/21/37/94/1068213794.db2.gz ZVNIAFNBUYVAJO-HNNXBMFYSA-N 0 0 454.415 4.622 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cc(-n2cccc2)ccn1 ZINC001462921628 1068214818 /nfs/dbraw/zinc/21/48/18/1068214818.db2.gz FHUFGUDIIPCAOL-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1 ZINC001462923582 1068215917 /nfs/dbraw/zinc/21/59/17/1068215917.db2.gz SAONBIHXXBOHBY-UHFFFAOYSA-N 0 0 450.604 4.804 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)NCc2c(Cl)cccc2Cl)C1)OCc1ccccc1 ZINC001462925113 1068216536 /nfs/dbraw/zinc/21/65/36/1068216536.db2.gz METAQGUWPBBKHQ-SJORKVTESA-N 0 0 471.406 4.508 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001462925964 1068216628 /nfs/dbraw/zinc/21/66/28/1068216628.db2.gz CKISZEGVSAQTIV-QGZVFWFLSA-N 0 0 451.542 4.970 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1ccc(OCc2cccnc2)cc1 ZINC001462926864 1068217204 /nfs/dbraw/zinc/21/72/04/1068217204.db2.gz RPTWELCWTLMHGD-INIZCTEOSA-N 0 0 453.951 4.902 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(I)c(C)c1C ZINC001462927455 1068217690 /nfs/dbraw/zinc/21/76/90/1068217690.db2.gz WKBKNPYAWWVRRZ-UHFFFAOYSA-N 0 0 454.333 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c(Cl)n1 ZINC001462930580 1068218753 /nfs/dbraw/zinc/21/87/53/1068218753.db2.gz QQSYFUYQFVQCNE-SFHVURJKSA-N 0 0 451.773 4.874 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)NCCOc2ccccc2-c2ccccc2)cc1N ZINC001462931469 1068219317 /nfs/dbraw/zinc/21/93/17/1068219317.db2.gz RTRZKPKLRGCIRD-UHFFFAOYSA-N 0 0 457.571 4.643 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001462932196 1068219814 /nfs/dbraw/zinc/21/98/14/1068219814.db2.gz PSDNJWBDAKBAEP-CNDZOEFASA-N 0 0 454.533 4.717 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c1F ZINC001462933766 1068220284 /nfs/dbraw/zinc/22/02/84/1068220284.db2.gz SMLWDOWACFMYLD-SECBINFHSA-N 0 0 454.734 4.954 20 0 JJADRN COC(C)(C)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001462935112 1068220914 /nfs/dbraw/zinc/22/09/14/1068220914.db2.gz NDXIBPKCXPGBAO-MOPGFXCFSA-N 0 0 450.579 4.577 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)N(CCc2ccc(F)cc2)CC(C)C)ccc1Br ZINC001462938909 1068222112 /nfs/dbraw/zinc/22/21/12/1068222112.db2.gz ZRDGDGIJTIDONN-UHFFFAOYSA-N 0 0 456.377 4.680 20 0 JJADRN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)c(OCCC2CCCCC2)c1 ZINC001462940587 1068222567 /nfs/dbraw/zinc/22/25/67/1068222567.db2.gz CSTKTLSQQDLKML-MRXNPFEDSA-N 0 0 458.418 4.562 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957249 1068229749 /nfs/dbraw/zinc/22/97/49/1068229749.db2.gz DIAGVEAZPDLMMC-RISCZKNCSA-N 0 0 454.770 4.502 20 0 JJADRN Cc1nc(-c2ccc(CNS(=O)(=O)c3cc(C)c(Br)cc3C)cc2)cs1 ZINC001462961926 1068230156 /nfs/dbraw/zinc/23/01/56/1068230156.db2.gz XSYOLASEINYQEI-UHFFFAOYSA-N 0 0 451.411 4.976 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC001462963943 1068230923 /nfs/dbraw/zinc/23/09/23/1068230923.db2.gz VMKONAMCACODPL-LJQANCHMSA-N 0 0 459.461 4.841 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)CCc1cccc(Cl)c1 ZINC001462967994 1068232219 /nfs/dbraw/zinc/23/22/19/1068232219.db2.gz PEJKWWHVAYDUMA-SFHVURJKSA-N 0 0 458.805 4.821 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001462969085 1068232673 /nfs/dbraw/zinc/23/26/73/1068232673.db2.gz SQIHOCHDQQOJLM-XKGZKEIXSA-N 0 0 454.361 4.620 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001462968730 1068232756 /nfs/dbraw/zinc/23/27/56/1068232756.db2.gz GLPMLBPLURTJMS-NHYWBVRUSA-N 0 0 452.267 4.750 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001462971796 1068233532 /nfs/dbraw/zinc/23/35/32/1068233532.db2.gz DFZHZYNVDGROJA-YLJYHZDGSA-N 0 0 454.542 4.812 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001462974114 1068234406 /nfs/dbraw/zinc/23/44/06/1068234406.db2.gz WNAXIMZGJLUKOM-BBRMVZONSA-N 0 0 456.873 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)c2c(F)cccc2F)c2ccccc21 ZINC001462974109 1068234539 /nfs/dbraw/zinc/23/45/39/1068234539.db2.gz JGSDIJWWNFOBFO-IAGOWNOFSA-N 0 0 458.505 4.735 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001462979879 1068237483 /nfs/dbraw/zinc/23/74/83/1068237483.db2.gz RJSCAVKUSVKKQP-WOJBJXKFSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001462982977 1068238530 /nfs/dbraw/zinc/23/85/30/1068238530.db2.gz ZNZOTVQFCWVWAN-OALUTQOASA-N 0 0 454.542 4.904 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462982514 1068238595 /nfs/dbraw/zinc/23/85/95/1068238595.db2.gz RGICMKMGJMZDRR-SBUREZEXSA-N 0 0 456.608 4.714 20 0 JJADRN Cn1ncc(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)c1I ZINC001462982794 1068238741 /nfs/dbraw/zinc/23/87/41/1068238741.db2.gz BRKISKUUEAIRLC-CLFYSBASSA-N 0 0 453.280 4.544 20 0 JJADRN CC(C)(CNS(=O)(=O)c1csc(-c2ccccc2)n1)c1cccc(Br)c1 ZINC001462982618 1068238800 /nfs/dbraw/zinc/23/88/00/1068238800.db2.gz UBKHFVZRFAQBBV-UHFFFAOYSA-N 0 0 451.411 4.829 20 0 JJADRN CSc1ccccc1S(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1F ZINC001462984770 1068239949 /nfs/dbraw/zinc/23/99/49/1068239949.db2.gz CPTXYUUDDJQJLQ-HXUWFJFHSA-N 0 0 456.564 4.696 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC001462989237 1068241553 /nfs/dbraw/zinc/24/15/53/1068241553.db2.gz NJSGGTVNCIHWRL-DEOSSOPVSA-N 0 0 452.551 4.927 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)c(F)c1F ZINC001462990437 1068241731 /nfs/dbraw/zinc/24/17/31/1068241731.db2.gz QXBYJUCSLOKVBM-HXUWFJFHSA-N 0 0 456.514 4.730 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001462991268 1068242078 /nfs/dbraw/zinc/24/20/78/1068242078.db2.gz NGNZGXAWDIJSIN-SJLPKXTDSA-N 0 0 459.543 4.621 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001462991272 1068242108 /nfs/dbraw/zinc/24/21/08/1068242108.db2.gz NGNZGXAWDIJSIN-WMZOPIPTSA-N 0 0 459.543 4.621 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001462991264 1068242260 /nfs/dbraw/zinc/24/22/60/1068242260.db2.gz NGNZGXAWDIJSIN-FUHWJXTLSA-N 0 0 459.543 4.621 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC001462995016 1068243292 /nfs/dbraw/zinc/24/32/92/1068243292.db2.gz ZMDQTBDCXFUJRS-QGZVFWFLSA-N 0 0 457.514 4.899 20 0 JJADRN CCC1(Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCOCC1 ZINC001546135733 1068243305 /nfs/dbraw/zinc/24/33/05/1068243305.db2.gz DSSBOPJEHPFNEW-UHFFFAOYSA-N 0 0 464.532 4.808 20 0 JJADRN CCC1(Cn2c(-c3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CCOCC1 ZINC001546135760 1068245200 /nfs/dbraw/zinc/24/52/00/1068245200.db2.gz FIVPNMNKUVJGGN-UHFFFAOYSA-N 0 0 450.505 4.859 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2OC)c1)c1cccc(C(F)(F)F)c1 ZINC001463001960 1068245589 /nfs/dbraw/zinc/24/55/89/1068245589.db2.gz MHRSWYVUHKFYJT-GOSISDBHSA-N 0 0 453.486 4.719 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463003264 1068245792 /nfs/dbraw/zinc/24/57/92/1068245792.db2.gz DNGXNZZVHQQZLB-FHWLQOOXSA-N 0 0 453.954 4.861 20 0 JJADRN O=S(=O)(Cc1cccc(F)c1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001463001698 1068245822 /nfs/dbraw/zinc/24/58/22/1068245822.db2.gz QREHPJLAXWQDJM-XMMPIXPASA-N 0 0 458.986 4.716 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccncc2)c2ccccc12 ZINC001463003522 1068246386 /nfs/dbraw/zinc/24/63/86/1068246386.db2.gz AMKYQQUFCSNOEZ-UHFFFAOYSA-N 0 0 459.571 4.627 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463004654 1068246829 /nfs/dbraw/zinc/24/68/29/1068246829.db2.gz KTRGGRBCHQCXQZ-RPBOFIJWSA-N 0 0 456.652 4.744 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463005584 1068246974 /nfs/dbraw/zinc/24/69/74/1068246974.db2.gz YSLIEFPTGJWQSY-DGCLKSJQSA-N 0 0 453.753 4.812 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001463006570 1068248196 /nfs/dbraw/zinc/24/81/96/1068248196.db2.gz QFWNMPHTNODGJW-GFCCVEGCSA-N 0 0 451.361 4.612 20 0 JJADRN O=C(COc1ccc2ccc(=O)oc2c1)NCc1c(Cl)cc(Br)cc1Cl ZINC001463007314 1068248211 /nfs/dbraw/zinc/24/82/11/1068248211.db2.gz DLJGATDRNWJYDU-UHFFFAOYSA-N 0 0 457.107 4.558 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC001463007178 1068248224 /nfs/dbraw/zinc/24/82/24/1068248224.db2.gz HQHNPOPRANRVRN-UHFFFAOYSA-N 0 0 459.571 4.586 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(c3ccccc3)CCCCCC2)c1F ZINC001463008869 1068249179 /nfs/dbraw/zinc/24/91/79/1068249179.db2.gz KEFHWMQPPLLYLY-UHFFFAOYSA-N 0 0 453.963 4.836 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)c2cccc(C(N)=O)c2)[C@H]1C ZINC001463009258 1068249366 /nfs/dbraw/zinc/24/93/66/1068249366.db2.gz LCZSMWBKZKOOST-LRAJWGHMSA-N 0 0 452.979 4.594 20 0 JJADRN CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001463010232 1068249736 /nfs/dbraw/zinc/24/97/36/1068249736.db2.gz STNMSKOCONRSKK-GOTSBHOMSA-N 0 0 450.645 4.560 20 0 JJADRN CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001463010224 1068249805 /nfs/dbraw/zinc/24/98/05/1068249805.db2.gz STNMSKOCONRSKK-DHIUTWEWSA-N 0 0 450.645 4.560 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c1 ZINC001463010291 1068249849 /nfs/dbraw/zinc/24/98/49/1068249849.db2.gz VZENERLDYYDGSE-UHFFFAOYSA-N 0 0 450.000 4.824 20 0 JJADRN Cc1cc(F)cc(-n2cc(C(=O)NCc3c(Cl)cc(Br)cc3Cl)nn2)c1 ZINC001463012369 1068250935 /nfs/dbraw/zinc/25/09/35/1068250935.db2.gz OXUJEGPUYIITRP-UHFFFAOYSA-N 0 0 458.118 4.714 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1Br)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001463013913 1068251467 /nfs/dbraw/zinc/25/14/67/1068251467.db2.gz AEHBVURVAPZZQH-GOSISDBHSA-N 0 0 450.329 4.504 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)ccc1C ZINC001463013650 1068251588 /nfs/dbraw/zinc/25/15/88/1068251588.db2.gz AKFBZDSEFBHRMP-UHFFFAOYSA-N 0 0 453.516 4.500 20 0 JJADRN CCN(CC)c1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC001463015320 1068252029 /nfs/dbraw/zinc/25/20/29/1068252029.db2.gz GNFRFFFNTIGDMZ-UHFFFAOYSA-N 0 0 458.605 4.776 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Oc1cccc(-c2nc(C)cs2)c1 ZINC001463014987 1068252055 /nfs/dbraw/zinc/25/20/55/1068252055.db2.gz FAUJFIKURVRVTD-UHFFFAOYSA-N 0 0 452.941 4.507 20 0 JJADRN CCCOc1ccc(OCC(=O)NCc2ccc(Br)c(Br)c2)cc1 ZINC001463015302 1068252178 /nfs/dbraw/zinc/25/21/78/1068252178.db2.gz CFTWZYVYMQNJRT-UHFFFAOYSA-N 0 0 457.162 4.696 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC001463016563 1068252614 /nfs/dbraw/zinc/25/26/14/1068252614.db2.gz KCYWUIWGRKWIIG-IRXDYDNUSA-N 0 0 451.430 4.767 20 0 JJADRN O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001463017129 1068253162 /nfs/dbraw/zinc/25/31/62/1068253162.db2.gz IUKAXHYQYSYQBH-HXUWFJFHSA-N 0 0 450.329 4.504 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cccc(CC(=O)OC)c1)c1ccc(Cl)c(Cl)c1 ZINC001463017169 1068253327 /nfs/dbraw/zinc/25/33/27/1068253327.db2.gz FKWBBCDBAXCOPF-UHFFFAOYSA-N 0 0 458.407 4.745 20 0 JJADRN CC(C)(C)n1nc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1C1CC1 ZINC001463017987 1068253923 /nfs/dbraw/zinc/25/39/23/1068253923.db2.gz FUHXWYVHBJXTSQ-UHFFFAOYSA-N 0 0 450.505 4.619 20 0 JJADRN C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001463020685 1068254517 /nfs/dbraw/zinc/25/45/17/1068254517.db2.gz KYLGUVLKEDTUFO-GFCCVEGCSA-N 0 0 458.305 4.903 20 0 JJADRN Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OCc1ccccc1 ZINC001463020047 1068254627 /nfs/dbraw/zinc/25/46/27/1068254627.db2.gz HHBJDNCQDQEMEU-UHFFFAOYSA-N 0 0 450.560 4.611 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cccc3ccccc32)C2CCCC2)c(OC)c1 ZINC001463021912 1068255123 /nfs/dbraw/zinc/25/51/23/1068255123.db2.gz HMTXNHZEDRSQGY-UHFFFAOYSA-N 0 0 453.560 4.769 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)cc1Cl ZINC001463022930 1068255141 /nfs/dbraw/zinc/25/51/41/1068255141.db2.gz YFFPIZAOQKXZHP-UHFFFAOYSA-N 0 0 458.923 4.679 20 0 JJADRN CC(C)(C(=O)NCc1ccc(Br)c(Br)c1)c1ccc2c(c1)OCO2 ZINC001463024141 1068255734 /nfs/dbraw/zinc/25/57/34/1068255734.db2.gz UKPPGTILEPGCBQ-UHFFFAOYSA-N 0 0 455.146 4.534 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001463025662 1068255794 /nfs/dbraw/zinc/25/57/94/1068255794.db2.gz UOGPIWVIDRDIHC-IBGZPJMESA-N 0 0 456.411 4.576 20 0 JJADRN CCC(=O)N1CCc2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc21 ZINC001463026720 1068256347 /nfs/dbraw/zinc/25/63/47/1068256347.db2.gz NYCIUQQLGDUHNO-UHFFFAOYSA-N 0 0 452.146 4.763 20 0 JJADRN C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)Sc1ccc(Br)cc1 ZINC001463029859 1068257473 /nfs/dbraw/zinc/25/74/73/1068257473.db2.gz CJTQSLUCBVFACA-NSHDSACASA-N 0 0 452.798 4.842 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463033879 1068258174 /nfs/dbraw/zinc/25/81/74/1068258174.db2.gz DGCJDYGGCIMSAX-GOSISDBHSA-N 0 0 454.375 4.524 20 0 JJADRN CC(C)CCc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC001463035387 1068258921 /nfs/dbraw/zinc/25/89/21/1068258921.db2.gz PRPJPNRNSFNRRU-IBGZPJMESA-N 0 0 451.430 4.595 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001463038170 1068259610 /nfs/dbraw/zinc/25/96/10/1068259610.db2.gz DYHFXVMRUNBVFM-ZDUSSCGKSA-N 0 0 450.320 4.827 20 0 JJADRN CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001463043947 1068262370 /nfs/dbraw/zinc/26/23/70/1068262370.db2.gz YRRFMHPRJVUEOD-HXUWFJFHSA-N 0 0 456.608 4.668 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@@H]1CS(=O)(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001463045014 1068262987 /nfs/dbraw/zinc/26/29/87/1068262987.db2.gz VAVQDJHSGMHCDN-DNQXCXABSA-N 0 0 456.608 4.639 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC001463045269 1068263122 /nfs/dbraw/zinc/26/31/22/1068263122.db2.gz CCUITRRAHUSRBA-UHFFFAOYSA-N 0 0 455.576 4.875 20 0 JJADRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC(C)(C)c2c(Cl)cccc2Cl)c1 ZINC001463045247 1068263233 /nfs/dbraw/zinc/26/32/33/1068263233.db2.gz BSQIIYAULHINNA-UHFFFAOYSA-N 0 0 450.771 4.690 20 0 JJADRN C[C@@H]1[C@@H](C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001463045854 1068263243 /nfs/dbraw/zinc/26/32/43/1068263243.db2.gz COCTZJPHZAHMHK-JPYJTQIMSA-N 0 0 456.558 4.709 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccc(Cl)cc1 ZINC001463048796 1068264965 /nfs/dbraw/zinc/26/49/65/1068264965.db2.gz IWYAKAWLFRYZRS-VWLOTQADSA-N 0 0 458.790 4.706 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001463050109 1068265705 /nfs/dbraw/zinc/26/57/05/1068265705.db2.gz ZKPFZJNQBKRFKL-UHFFFAOYSA-N 0 0 457.976 4.800 20 0 JJADRN COC(=O)c1cc(C)c(F)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 ZINC001463052671 1068266813 /nfs/dbraw/zinc/26/68/13/1068266813.db2.gz AKELVEIEVRVYNZ-VIFPVBQESA-N 0 0 454.734 4.920 20 0 JJADRN CCCCCC[C@@](C)(NS(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OCC ZINC001463052241 1068266891 /nfs/dbraw/zinc/26/68/91/1068266891.db2.gz BOSNJQLOGUCRMB-QGZVFWFLSA-N 0 0 454.814 4.673 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1Cl ZINC001463053787 1068267464 /nfs/dbraw/zinc/26/74/64/1068267464.db2.gz LZSSEUDEPZKLSA-LLVKDONJSA-N 0 0 458.392 4.868 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cs2)cc1OC ZINC001463057426 1068269268 /nfs/dbraw/zinc/26/92/68/1068269268.db2.gz NFXJKQRZGBJFCL-KCYKTTMJSA-N 0 0 452.576 4.747 20 0 JJADRN CCSc1ccc([C@H](C)NS(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)cc1 ZINC001463059986 1068270005 /nfs/dbraw/zinc/27/00/05/1068270005.db2.gz MQVJYBDELSDMTA-INIZCTEOSA-N 0 0 452.605 4.880 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)c12 ZINC001463061081 1068270357 /nfs/dbraw/zinc/27/03/57/1068270357.db2.gz DCSNCZVJNFFXDW-LMKMVOKYSA-N 0 0 456.587 4.647 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1 ZINC001463059990 1068270513 /nfs/dbraw/zinc/27/05/13/1068270513.db2.gz ZMUVLUFCQMVQOI-MRXNPFEDSA-N 0 0 452.016 4.954 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](COc2ccccc2F)C(C)(C)C)sc1Br ZINC001463062252 1068271568 /nfs/dbraw/zinc/27/15/68/1068271568.db2.gz CGOBQCCZSFRENO-CQSZACIVSA-N 0 0 450.395 4.730 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)sc1Br ZINC001463062247 1068271649 /nfs/dbraw/zinc/27/16/49/1068271649.db2.gz CGOBQCCZSFRENO-AWEZNQCLSA-N 0 0 450.395 4.730 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC001463063425 1068272037 /nfs/dbraw/zinc/27/20/37/1068272037.db2.gz IHWFHSOXBQLETK-AWEZNQCLSA-N 0 0 450.395 4.730 20 0 JJADRN Cc1ccc(C2=NO[C@H](C(=O)N3CCCC[C@H]3C3(CNC(=O)OC(C)(C)C)CCC3)C2)cc1 ZINC001463063512 1068272177 /nfs/dbraw/zinc/27/21/77/1068272177.db2.gz MGTDPUUFPJEBCM-VXKWHMMOSA-N 0 0 455.599 4.564 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001463064834 1068272882 /nfs/dbraw/zinc/27/28/82/1068272882.db2.gz CQIRACKJAKPWGI-AWEZNQCLSA-N 0 0 451.169 4.518 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001463065315 1068273319 /nfs/dbraw/zinc/27/33/19/1068273319.db2.gz KWRLHSTYXCRXSM-SZNDQCEHSA-N 0 0 455.368 4.806 20 0 JJADRN COC(=O)c1oc(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C ZINC001463065583 1068273341 /nfs/dbraw/zinc/27/33/41/1068273341.db2.gz ICHKKJHJBWMMIH-LJQANCHMSA-N 0 0 451.903 4.543 20 0 JJADRN COC(=O)c1oc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C ZINC001463065579 1068273388 /nfs/dbraw/zinc/27/33/88/1068273388.db2.gz ICHKKJHJBWMMIH-IBGZPJMESA-N 0 0 451.903 4.543 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001463066764 1068274660 /nfs/dbraw/zinc/27/46/60/1068274660.db2.gz URPSXNJCLOKNCY-KRWDZBQOSA-N 0 0 454.470 4.991 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)NCCc3cccc(OCCCc4ccccc4)c3)ccc2O1 ZINC001463069934 1068276123 /nfs/dbraw/zinc/27/61/23/1068276123.db2.gz XDMDHZALNKOXBO-FQEVSTJZSA-N 0 0 451.588 4.543 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)CCc1ccccc1Br ZINC001463070107 1068276191 /nfs/dbraw/zinc/27/61/91/1068276191.db2.gz VSCLMDKMOAJGGM-VGSWGCGISA-N 0 0 451.405 4.678 20 0 JJADRN O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCc2ccc(Br)cc21 ZINC001463071942 1068276607 /nfs/dbraw/zinc/27/66/07/1068276607.db2.gz XEMQFFYBTUWMOK-UHFFFAOYSA-N 0 0 455.786 4.977 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)CCc1ccccc1OC(F)(F)F ZINC001463070553 1068276676 /nfs/dbraw/zinc/27/66/76/1068276676.db2.gz XMAMXLZJDVKWJX-HTAPYJJXSA-N 0 0 456.505 4.814 20 0 JJADRN O=S(=O)(NCCCc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1F ZINC001463076675 1068279138 /nfs/dbraw/zinc/27/91/38/1068279138.db2.gz SVAAGPLBMROQHR-UHFFFAOYSA-N 0 0 458.246 4.657 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001463077561 1068279561 /nfs/dbraw/zinc/27/95/61/1068279561.db2.gz XEOLITOZNRQNFS-RPBOFIJWSA-N 0 0 454.592 4.935 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CCC(C)(C)[C@H](c4ccccc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001463079168 1068279964 /nfs/dbraw/zinc/27/99/64/1068279964.db2.gz GHRICGMPRXWYAD-NQIIRXRSSA-N 0 0 452.599 4.678 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@@H]1c1ccccc1 ZINC001463078332 1068280168 /nfs/dbraw/zinc/28/01/68/1068280168.db2.gz CGUOGWZEHDFXSH-QGZVFWFLSA-N 0 0 450.398 4.509 20 0 JJADRN CN([C@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001463079069 1068280193 /nfs/dbraw/zinc/28/01/93/1068280193.db2.gz VFWIBYKGQSGMRI-INIZCTEOSA-N 0 0 455.388 4.634 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1C(=O)OC(C)C ZINC001463080224 1068280664 /nfs/dbraw/zinc/28/06/64/1068280664.db2.gz NNVYAYWLZAXXBA-CYBMUJFWSA-N 0 0 458.349 4.501 20 0 JJADRN Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)c(F)cc1Br ZINC001463079501 1068280755 /nfs/dbraw/zinc/28/07/55/1068280755.db2.gz VRSVYZHGASZLHN-UHFFFAOYSA-N 0 0 456.377 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001463082214 1068281148 /nfs/dbraw/zinc/28/11/48/1068281148.db2.gz PBEJDRMOKTXSRQ-DOIPELPJSA-N 0 0 458.505 4.698 20 0 JJADRN Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1F ZINC001463081835 1068281212 /nfs/dbraw/zinc/28/12/12/1068281212.db2.gz DIOIAVZSKNJTLX-XMMPIXPASA-N 0 0 455.526 4.942 20 0 JJADRN O=C(CS(=O)(=O)Cc1cccc(Br)c1)N1CCC(CC2CCCCC2)CC1 ZINC001463082830 1068281345 /nfs/dbraw/zinc/28/13/45/1068281345.db2.gz FTSLKCNGYJVJHH-UHFFFAOYSA-N 0 0 456.446 4.573 20 0 JJADRN Cc1noc(C[C@@H]2CCCN(C(=O)c3csc(Cc4cccc(C(F)(F)F)c4)n3)C2)n1 ZINC001463086430 1068282595 /nfs/dbraw/zinc/28/25/95/1068282595.db2.gz LOFKHQAKXIPOQM-HNNXBMFYSA-N 0 0 450.486 4.539 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC001463095459 1068284625 /nfs/dbraw/zinc/28/46/25/1068284625.db2.gz PDXXJZYEWBNYBD-UHFFFAOYSA-N 0 0 457.384 4.991 20 0 JJADRN Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC001463096373 1068285400 /nfs/dbraw/zinc/28/54/00/1068285400.db2.gz PDIQXMJWSHIHQM-UHFFFAOYSA-N 0 0 451.592 4.766 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)Cc3ccsc3Br)cc2)cc1 ZINC001463097533 1068285477 /nfs/dbraw/zinc/28/54/77/1068285477.db2.gz PMLWNVNTJAAESG-UHFFFAOYSA-N 0 0 452.395 4.806 20 0 JJADRN Cc1csc(C2(NS(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CCCC2)n1 ZINC001463098398 1068286008 /nfs/dbraw/zinc/28/60/08/1068286008.db2.gz PCRGLKCIAHXEAN-UHFFFAOYSA-N 0 0 459.568 4.591 20 0 JJADRN COc1cc(Br)c(C(=O)NC[C@H](C)c2ccc(Br)cc2)cc1OC ZINC001463099949 1068286708 /nfs/dbraw/zinc/28/67/08/1068286708.db2.gz ZMFNIPXHTLQQFJ-NSHDSACASA-N 0 0 457.162 4.762 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCSC[C@@H]3c3ccccc3)cc2)cc1 ZINC001463101289 1068288149 /nfs/dbraw/zinc/28/81/49/1068288149.db2.gz WUNPREDBWLVFOD-XMMPIXPASA-N 0 0 452.601 4.791 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c(F)cc1Br ZINC001463110661 1068290551 /nfs/dbraw/zinc/29/05/51/1068290551.db2.gz JZTWIWQTMPJWEH-AWEZNQCLSA-N 0 0 459.381 4.584 20 0 JJADRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H](C)CO1 ZINC001463110842 1068290692 /nfs/dbraw/zinc/29/06/92/1068290692.db2.gz ISTGEFOEDRNRCQ-KUHUBIRLSA-N 0 0 458.805 4.703 20 0 JJADRN CC[S@](=O)(=NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)c1cccc(Cl)c1 ZINC001463111233 1068291130 /nfs/dbraw/zinc/29/11/30/1068291130.db2.gz TXSZJFPSICZUJC-SSEXGKCCSA-N 0 0 454.980 4.692 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1F)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001463114429 1068291742 /nfs/dbraw/zinc/29/17/42/1068291742.db2.gz QHYGKSAKOBJPQH-UHFFFAOYSA-N 0 0 450.334 4.892 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccc(C(=O)OC)c(F)c2)cc1Br ZINC001463115884 1068292201 /nfs/dbraw/zinc/29/22/01/1068292201.db2.gz FZNYQZPDHOTURR-UHFFFAOYSA-N 0 0 459.109 4.952 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)Cn1nc(C(F)F)cc1C(F)F ZINC001463115785 1068292245 /nfs/dbraw/zinc/29/22/45/1068292245.db2.gz ASNFCPFRUIUHSK-UHFFFAOYSA-N 0 0 454.287 4.602 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1cccc(NC(=O)c2cccs2)c1 ZINC001463117103 1068293208 /nfs/dbraw/zinc/29/32/08/1068293208.db2.gz OHSYPCDBGCIVMC-UHFFFAOYSA-N 0 0 452.557 4.987 20 0 JJADRN COc1cc(C(=O)NCCc2cc(Br)ccc2SC)ccc1Br ZINC001463118138 1068293606 /nfs/dbraw/zinc/29/36/06/1068293606.db2.gz HGNJTYGPYXQXOL-UHFFFAOYSA-N 0 0 459.203 4.915 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H]1COc1ccc(Br)cc1)[C@@H]1OCCc2sccc21 ZINC001463120105 1068293841 /nfs/dbraw/zinc/29/38/41/1068293841.db2.gz HWVIAFIHTQMDSH-IIMJZQEZSA-N 0 0 450.398 4.831 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001463120549 1068293866 /nfs/dbraw/zinc/29/38/66/1068293866.db2.gz BODSERLGZWOHGI-VBKZILBWSA-N 0 0 450.919 4.721 20 0 JJADRN O=C(Cc1ccccc1Br)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001463119653 1068293942 /nfs/dbraw/zinc/29/39/42/1068293942.db2.gz FXTWRAGZXOZLMA-INIZCTEOSA-N 0 0 453.174 4.824 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1F)c1c(F)cccc1Br ZINC001463121262 1068294432 /nfs/dbraw/zinc/29/44/32/1068294432.db2.gz DHMXEKWJXKKZFZ-LJQANCHMSA-N 0 0 452.320 4.990 20 0 JJADRN CCCN([C@@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463122153 1068294972 /nfs/dbraw/zinc/29/49/72/1068294972.db2.gz HWWQGJDYSFXADN-CABCVRRESA-N 0 0 456.805 4.846 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC001463122127 1068295011 /nfs/dbraw/zinc/29/50/11/1068295011.db2.gz HKUXANCHCBDUOV-UHFFFAOYSA-N 0 0 452.498 4.717 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)c1 ZINC001463121722 1068295163 /nfs/dbraw/zinc/29/51/63/1068295163.db2.gz ANMTXTUVWWGNGN-SFHVURJKSA-N 0 0 457.951 4.648 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001463127291 1068296724 /nfs/dbraw/zinc/29/67/24/1068296724.db2.gz PPSWGKZTBKEQNH-OAQYLSRUSA-N 0 0 459.771 4.951 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001463130933 1068297321 /nfs/dbraw/zinc/29/73/21/1068297321.db2.gz WWRDDRMNZQMIFU-HWPZZCPQSA-N 0 0 453.185 4.810 20 0 JJADRN CC(C)(C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)c1csc(-c2cccs2)n1 ZINC001463133517 1068298459 /nfs/dbraw/zinc/29/84/59/1068298459.db2.gz NVRWKGZAMHEEGI-GFCCVEGCSA-N 0 0 452.527 4.974 20 0 JJADRN O=C(NC[C@H]1CCCC2(CCC2)O1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001463136672 1068299093 /nfs/dbraw/zinc/29/90/93/1068299093.db2.gz XZRJWUOSGPPAEP-HXUWFJFHSA-N 0 0 457.368 4.923 20 0 JJADRN COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC001463135435 1068299105 /nfs/dbraw/zinc/29/91/05/1068299105.db2.gz HOWVUUMXMORNIY-QFIPXVFZSA-N 0 0 459.951 4.512 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001463135777 1068299121 /nfs/dbraw/zinc/29/91/21/1068299121.db2.gz VWQQFZMJODDHKL-UXHICEINSA-N 0 0 450.626 4.565 20 0 JJADRN COc1cc(CCNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)ccc1C ZINC001463137618 1068299540 /nfs/dbraw/zinc/29/95/40/1068299540.db2.gz HCEVFNGBQKEKGV-UHFFFAOYSA-N 0 0 453.185 4.594 20 0 JJADRN CCc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)o1 ZINC001463138603 1068299584 /nfs/dbraw/zinc/29/95/84/1068299584.db2.gz RALHLXAVEQCMIZ-UTKZUKDTSA-N 0 0 451.560 4.702 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC001463138818 1068300316 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JJADRN O=S(=O)(NCC1(c2ccccc2Br)CC1)c1ccc(Cl)c(F)c1Cl ZINC001463155943 1068305913 /nfs/dbraw/zinc/30/59/13/1068305913.db2.gz TWQOZQGBWQDPBM-UHFFFAOYSA-N 0 0 453.160 4.905 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1OC ZINC001463163335 1068307455 /nfs/dbraw/zinc/30/74/55/1068307455.db2.gz DLTWPKBSNDTWLJ-QRWLVFNGSA-N 0 0 451.972 4.606 20 0 JJADRN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)c1 ZINC001463165080 1068307649 /nfs/dbraw/zinc/30/76/49/1068307649.db2.gz ACEHDRGMYOQOGG-JOCHJYFZSA-N 0 0 459.951 4.512 20 0 JJADRN COCc1cccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1 ZINC001463165730 1068307846 /nfs/dbraw/zinc/30/78/46/1068307846.db2.gz MEXUTGDIKJLOQX-UHFFFAOYSA-N 0 0 452.414 4.776 20 0 JJADRN CSCC1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 ZINC001463165490 1068308030 /nfs/dbraw/zinc/30/80/30/1068308030.db2.gz NJRVEQPUNVCUTM-QGZVFWFLSA-N 0 0 457.434 4.617 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2ccnn2CC2CCC2)c2ccccc2Cl)c(C)c1 ZINC001463168633 1068308734 /nfs/dbraw/zinc/30/87/34/1068308734.db2.gz PJVKXGCVDXVWEJ-HSZRJFAPSA-N 0 0 459.999 4.722 20 0 JJADRN Cc1ccc(Br)c(CS(=O)(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC001463174103 1068309569 /nfs/dbraw/zinc/30/95/69/1068309569.db2.gz PVPZEJZFWGFVOW-UHFFFAOYSA-N 0 0 450.354 4.588 20 0 JJADRN Cc1ccc([C@H]2CCC[C@H]2N(C)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)cc1 ZINC001463174710 1068309833 /nfs/dbraw/zinc/30/98/33/1068309833.db2.gz DWXMXZLFXJDCKR-UYAOXDASSA-N 0 0 452.403 4.865 20 0 JJADRN CC(C)(CNS(=O)(=O)Cc1noc2ccccc21)Sc1ccc(Br)cc1 ZINC001463175092 1068309878 /nfs/dbraw/zinc/30/98/78/1068309878.db2.gz KPMBZTIROSEYHZ-UHFFFAOYSA-N 0 0 455.399 4.581 20 0 JJADRN O=S(=O)(c1csc(-c2ccccc2)n1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001463174781 1068309977 /nfs/dbraw/zinc/30/99/77/1068309977.db2.gz SKQQCDOGUDKGCQ-UHFFFAOYSA-N 0 0 457.404 4.690 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001463179766 1068310736 /nfs/dbraw/zinc/31/07/36/1068310736.db2.gz WSXQAXNGHRCTHZ-IBGZPJMESA-N 0 0 452.414 4.724 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(CC)[C@H](CC)Cc2ccc(C)cc2)cnc1C(F)F ZINC001463178259 1068311040 /nfs/dbraw/zinc/31/10/40/1068311040.db2.gz RGIYBCDVPZPRBR-QGZVFWFLSA-N 0 0 454.539 4.536 20 0 JJADRN CCC1(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)Cc2ccc(OC)cc2)CCCC1 ZINC001546137160 1068311869 /nfs/dbraw/zinc/31/18/69/1068311869.db2.gz HNQVITJNDGLCMK-HXUWFJFHSA-N 0 0 450.631 4.973 20 0 JJADRN CCc1nc(OC)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC ZINC001463181707 1068311928 /nfs/dbraw/zinc/31/19/28/1068311928.db2.gz IJVJLMFFBWQSME-UHFFFAOYSA-N 0 0 458.518 4.775 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC001463182196 1068312182 /nfs/dbraw/zinc/31/21/82/1068312182.db2.gz IRYDQYARROYIOY-NWDGAFQWSA-N 0 0 457.253 4.506 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1nc(C2CCCCC2)no1 ZINC001463183365 1068313043 /nfs/dbraw/zinc/31/30/43/1068313043.db2.gz CYEHGXXHEGLUER-AWEZNQCLSA-N 0 0 453.992 4.989 20 0 JJADRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c(F)c1 ZINC001463189822 1068314427 /nfs/dbraw/zinc/31/44/27/1068314427.db2.gz YUUSOAROHLQIIN-QFIPXVFZSA-N 0 0 457.523 4.558 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)S(=O)(=O)CCCC1CCOCC1)CCO2 ZINC001463189617 1068314447 /nfs/dbraw/zinc/31/44/47/1068314447.db2.gz XKYYINYXOQOXEU-DEOSSOPVSA-N 0 0 459.608 4.558 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)S(=O)(=O)CCCC1CCOCC1)CCO2 ZINC001463189622 1068314463 /nfs/dbraw/zinc/31/44/63/1068314463.db2.gz XKYYINYXOQOXEU-XMMPIXPASA-N 0 0 459.608 4.558 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC001463190871 1068314871 /nfs/dbraw/zinc/31/48/71/1068314871.db2.gz IWLPLSYYXLGXHH-QZTJIDSGSA-N 0 0 454.493 4.518 20 0 JJADRN COCCOc1ccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)cc1Br ZINC001463190344 1068315102 /nfs/dbraw/zinc/31/51/02/1068315102.db2.gz IUVMFVGCFPQCDX-UHFFFAOYSA-N 0 0 450.329 4.682 20 0 JJADRN CC(C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC001463190872 1068315402 /nfs/dbraw/zinc/31/54/02/1068315402.db2.gz IWLPLSYYXLGXHH-ROUUACIJSA-N 0 0 454.493 4.518 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)Oc1cccc(F)c1 ZINC001463192130 1068315455 /nfs/dbraw/zinc/31/54/55/1068315455.db2.gz GBTCHZLMAWJABI-VIFPVBQESA-N 0 0 457.148 4.641 20 0 JJADRN COCCOc1ccc(NC(=O)c2c(Cl)nccc2C(F)(F)F)cc1Br ZINC001463191391 1068315529 /nfs/dbraw/zinc/31/55/29/1068315529.db2.gz QJWISVNGHWXLJO-UHFFFAOYSA-N 0 0 453.642 4.794 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)o1 ZINC001463194151 1068316071 /nfs/dbraw/zinc/31/60/71/1068316071.db2.gz HHKFGQOSJXLJKZ-FZKQIMNGSA-N 0 0 454.976 4.624 20 0 JJADRN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)C12CCCCC2 ZINC001463195761 1068316436 /nfs/dbraw/zinc/31/64/36/1068316436.db2.gz JYHJJMFKWDFGKL-RTWAWAEBSA-N 0 0 453.551 4.890 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)[C@@H](O)c1ccccc1F ZINC001463200822 1068318101 /nfs/dbraw/zinc/31/81/01/1068318101.db2.gz BUQUXZKSAGUCSC-PMACEKPBSA-N 0 0 452.345 4.532 20 0 JJADRN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)C2)n1 ZINC001463202160 1068318625 /nfs/dbraw/zinc/31/86/25/1068318625.db2.gz RJZIITQWHBZIFF-CZUORRHYSA-N 0 0 457.328 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2nc3ccc4scnc4c3s2)C1 ZINC001463202553 1068318738 /nfs/dbraw/zinc/31/87/38/1068318738.db2.gz AXQKIFPZZDUHNS-JTQLQIEISA-N 0 0 454.524 4.737 20 0 JJADRN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cnc(-c2ccccc2Br)s1 ZINC001463203847 1068319342 /nfs/dbraw/zinc/31/93/42/1068319342.db2.gz QZOPWNSTVGVVIL-UHFFFAOYSA-N 0 0 458.316 4.673 20 0 JJADRN CC(C)[C@@H](CCN(C)S(=O)(=O)c1ccc(OC2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC001463205665 1068319874 /nfs/dbraw/zinc/31/98/74/1068319874.db2.gz CBBLNTJFXPQNRY-OAQYLSRUSA-N 0 0 454.633 4.568 20 0 JJADRN CCOc1ccc(CCNC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 ZINC001463205869 1068320149 /nfs/dbraw/zinc/32/01/49/1068320149.db2.gz YVCRPJLTMYITEA-UHFFFAOYSA-N 0 0 451.411 4.934 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(Br)c(C)c2)C1 ZINC001463206325 1068320247 /nfs/dbraw/zinc/32/02/47/1068320247.db2.gz YXBCOTXWYDIGEL-GOSISDBHSA-N 0 0 459.384 4.576 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CCC1 ZINC001546137238 1068320828 /nfs/dbraw/zinc/32/08/28/1068320828.db2.gz KZDBTCZMUHLIAO-LJQANCHMSA-N 0 0 454.619 4.614 20 0 JJADRN C[C@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)Oc1cccc(Br)c1 ZINC001463211129 1068321119 /nfs/dbraw/zinc/32/11/19/1068321119.db2.gz AAVHPIKQONYFOY-LLVKDONJSA-N 0 0 453.185 4.643 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC001463211506 1068321175 /nfs/dbraw/zinc/32/11/75/1068321175.db2.gz VZOFOQSCDQTLKH-SFHVURJKSA-N 0 0 453.560 4.921 20 0 JJADRN COC(=O)CC1(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)CCCC1 ZINC001463210006 1068321193 /nfs/dbraw/zinc/32/11/93/1068321193.db2.gz CKYILXJDVAVFHH-UHFFFAOYSA-N 0 0 452.382 4.578 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NS(=O)(=O)c3csc4ccc(Cl)cc43)ccc2NC1=O ZINC001463213400 1068322286 /nfs/dbraw/zinc/32/22/86/1068322286.db2.gz MMXSRIXSTBFJHQ-BZNIZROVSA-N 0 0 450.969 4.704 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)ccc2s1 ZINC001463214150 1068322576 /nfs/dbraw/zinc/32/25/76/1068322576.db2.gz KTZLDMNHNIMHRO-UHFFFAOYSA-N 0 0 455.513 4.507 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 ZINC001463215848 1068322809 /nfs/dbraw/zinc/32/28/09/1068322809.db2.gz PCIQVBJPIGOOAQ-SFHVURJKSA-N 0 0 453.560 4.921 20 0 JJADRN O=S(=O)(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Cl)cc1Br ZINC001463219360 1068323843 /nfs/dbraw/zinc/32/38/43/1068323843.db2.gz MNKSAVNBRQFQHD-NSHDSACASA-N 0 0 457.560 4.821 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)Oc3c(Br)ccc4ccccc43)CC2=O)cc1 ZINC001463224221 1068325811 /nfs/dbraw/zinc/32/58/11/1068325811.db2.gz RWLVESOCCZZVMC-KRWDZBQOSA-N 0 0 454.320 4.565 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c(F)cc1C ZINC001463223652 1068325827 /nfs/dbraw/zinc/32/58/27/1068325827.db2.gz NJUFSEUZYNSSJZ-UHFFFAOYSA-N 0 0 457.498 4.868 20 0 JJADRN CC1(C)CCC[C@@H](CS(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)O1 ZINC001463223747 1068325915 /nfs/dbraw/zinc/32/59/15/1068325915.db2.gz OJBWESJXUCTABS-IBGZPJMESA-N 0 0 458.462 4.918 20 0 JJADRN COc1ccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)c(C)c1 ZINC001463225268 1068326667 /nfs/dbraw/zinc/32/66/67/1068326667.db2.gz SOMOERGRVSYLTK-UHFFFAOYSA-N 0 0 452.414 4.947 20 0 JJADRN Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(Oc4cccc(Cl)c4)ccn3)ccc12 ZINC001463226669 1068327057 /nfs/dbraw/zinc/32/70/57/1068327057.db2.gz HHNKWAGKILQDAD-UHFFFAOYSA-N 0 0 450.878 4.637 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)NCc3cc(Oc4cccc(Cl)c4)ccn3)c2)o1 ZINC001463227336 1068327684 /nfs/dbraw/zinc/32/76/84/1068327684.db2.gz BCNDANZNXSEQCY-UHFFFAOYSA-N 0 0 450.882 4.654 20 0 JJADRN Cc1ncncc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001463227284 1068327888 /nfs/dbraw/zinc/32/78/88/1068327888.db2.gz KDAIASZOUWGUOT-UHFFFAOYSA-N 0 0 451.383 4.737 20 0 JJADRN CCOc1cccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c1 ZINC001463230055 1068328856 /nfs/dbraw/zinc/32/88/56/1068328856.db2.gz HKFFJRHKVUEIHH-LJQANCHMSA-N 0 0 450.560 4.606 20 0 JJADRN CCOc1cccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c1 ZINC001463230050 1068329013 /nfs/dbraw/zinc/32/90/13/1068329013.db2.gz HKFFJRHKVUEIHH-IBGZPJMESA-N 0 0 450.560 4.606 20 0 JJADRN CC1(C)CCC[C@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)O1 ZINC001463231956 1068329215 /nfs/dbraw/zinc/32/92/15/1068329215.db2.gz JLWMUHBCDLBONZ-HXUWFJFHSA-N 0 0 459.384 4.708 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(Cl)c1 ZINC001463234006 1068329923 /nfs/dbraw/zinc/32/99/23/1068329923.db2.gz ZGKMNSBKRBLAKJ-NRFANRHFSA-N 0 0 454.885 4.766 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC(=O)N(C)c2cc(C(F)(F)F)ccc21 ZINC001463237166 1068331027 /nfs/dbraw/zinc/33/10/27/1068331027.db2.gz BXTLRGPULGECCO-GFCCVEGCSA-N 0 0 455.274 4.656 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC001463241244 1068332204 /nfs/dbraw/zinc/33/22/04/1068332204.db2.gz VKJRUDCJJCHUDX-NRFANRHFSA-N 0 0 450.398 4.517 20 0 JJADRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC ZINC001463242576 1068332264 /nfs/dbraw/zinc/33/22/64/1068332264.db2.gz YMEQXKUIUJBVIY-GSDHBNRESA-N 0 0 450.604 4.834 20 0 JJADRN CCCc1c(C(=O)N2CC(=O)N(C)c3cc(C(F)(F)F)ccc32)cnn1-c1ccc(C)cc1 ZINC001463242259 1068332319 /nfs/dbraw/zinc/33/23/19/1068332319.db2.gz UBDQBQLKHLAHTD-UHFFFAOYSA-N 0 0 456.468 4.775 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1Br ZINC001463243658 1068332920 /nfs/dbraw/zinc/33/29/20/1068332920.db2.gz NWUBRRFZRLEMKD-GFCCVEGCSA-N 0 0 457.166 4.574 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001463250235 1068334286 /nfs/dbraw/zinc/33/42/86/1068334286.db2.gz JODCWRKQEIROIA-UHFFFAOYSA-N 0 0 459.358 4.762 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001463250205 1068334488 /nfs/dbraw/zinc/33/44/88/1068334488.db2.gz OJJNJNWSEGOCPG-FQEVSTJZSA-N 0 0 453.461 4.743 20 0 JJADRN C[C@@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)Oc1ccccc1Br ZINC001463251279 1068334742 /nfs/dbraw/zinc/33/47/42/1068334742.db2.gz UWEAZGFAVCJFOE-NSHDSACASA-N 0 0 453.185 4.643 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)cc1F ZINC001463250930 1068335010 /nfs/dbraw/zinc/33/50/10/1068335010.db2.gz SWQPQBQJFPGNOI-NRFANRHFSA-N 0 0 451.560 4.713 20 0 JJADRN CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001463251979 1068335324 /nfs/dbraw/zinc/33/53/24/1068335324.db2.gz XZVDUJOAAHEHPP-OAHLLOKOSA-N 0 0 453.376 4.508 20 0 JJADRN O=S(=O)(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252670 1068335385 /nfs/dbraw/zinc/33/53/85/1068335385.db2.gz PMCIOHKQRZKHSA-DTWKUNHWSA-N 0 0 452.695 4.889 20 0 JJADRN CCN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001463253453 1068335820 /nfs/dbraw/zinc/33/58/20/1068335820.db2.gz YFTGMXCUVHAFGK-QFIPXVFZSA-N 0 0 456.562 4.613 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(-c2ccncc2)cc1 ZINC001463255337 1068336307 /nfs/dbraw/zinc/33/63/07/1068336307.db2.gz YNWMKNOQBVCQPV-LBPRGKRZSA-N 0 0 452.761 4.599 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(-c2ccncc2)cc1 ZINC001463255332 1068336469 /nfs/dbraw/zinc/33/64/69/1068336469.db2.gz YNWMKNOQBVCQPV-GFCCVEGCSA-N 0 0 452.761 4.599 20 0 JJADRN COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(C)cc3Br)c2)cc1 ZINC001463258651 1068336826 /nfs/dbraw/zinc/33/68/26/1068336826.db2.gz HKHCNLIIGIRRQH-UHFFFAOYSA-N 0 0 452.395 4.973 20 0 JJADRN Cc1cccc(C(NS(=O)(=O)Cc2ncsc2Br)c2cccc(C)c2)c1 ZINC001463262695 1068337823 /nfs/dbraw/zinc/33/78/23/1068337823.db2.gz IYZBBDKIBSJTGB-UHFFFAOYSA-N 0 0 451.411 4.731 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2C)C(C)(C)C)c(Br)c1 ZINC001463262585 1068337838 /nfs/dbraw/zinc/33/78/38/1068337838.db2.gz OHZFILOXDZDPSU-GOSISDBHSA-N 0 0 454.386 4.610 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001463262571 1068337880 /nfs/dbraw/zinc/33/78/80/1068337880.db2.gz OCMWVAGXLLVTLZ-DZGCQCFKSA-N 0 0 458.805 4.753 20 0 JJADRN CCCCc1ccc(N(C)S(=O)(=O)c2cc(Br)ccc2OCCOC)cc1 ZINC001463263286 1068338439 /nfs/dbraw/zinc/33/84/39/1068338439.db2.gz QOPNDIXWCBQGBN-UHFFFAOYSA-N 0 0 456.402 4.642 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC001463263733 1068339085 /nfs/dbraw/zinc/33/90/85/1068339085.db2.gz VSKHQMWCHXTKSH-GOSISDBHSA-N 0 0 458.502 4.652 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)c1c(F)cccc1Cl ZINC001463264605 1068339411 /nfs/dbraw/zinc/33/94/11/1068339411.db2.gz UXGDUXMOVWFZRJ-MRVPVSSYSA-N 0 0 457.148 4.943 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1C ZINC001463276744 1068341355 /nfs/dbraw/zinc/34/13/55/1068341355.db2.gz BBZGXBJKXLONDB-QHCPKHFHSA-N 0 0 455.963 4.923 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O ZINC001463279011 1068342267 /nfs/dbraw/zinc/34/22/67/1068342267.db2.gz LZNAUZHOZPRLSB-QFIPXVFZSA-N 0 0 458.624 4.795 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)ccc1F ZINC001463282272 1068343507 /nfs/dbraw/zinc/34/35/07/1068343507.db2.gz PMWDTLLJMXGKHP-JOCHJYFZSA-N 0 0 459.926 4.754 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc3c(cccc3OCC(F)(F)F)s2)cn1 ZINC001463282456 1068343559 /nfs/dbraw/zinc/34/35/59/1068343559.db2.gz YZBVVZTUWYHBFN-UHFFFAOYSA-N 0 0 453.442 4.840 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1coc(-c2c(F)cccc2F)n1)c1ccc(C(F)(F)F)cc1 ZINC001463289513 1068345928 /nfs/dbraw/zinc/34/59/28/1068345928.db2.gz JVPPDYNVGWPMJZ-OAHLLOKOSA-N 0 0 454.351 4.673 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCc1csc(CCc2ccccc2)n1 ZINC001463290903 1068346363 /nfs/dbraw/zinc/34/63/63/1068346363.db2.gz ZXRWCCIIFYGLKM-UHFFFAOYSA-N 0 0 451.617 4.626 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001463292468 1068346541 /nfs/dbraw/zinc/34/65/41/1068346541.db2.gz QHVXIMBWFREWPY-LJQANCHMSA-N 0 0 450.580 4.660 20 0 JJADRN CO[C@@H](CNS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1ccccc1Cl ZINC001463291582 1068346582 /nfs/dbraw/zinc/34/65/82/1068346582.db2.gz FIWIYORQWNZHEP-HNNXBMFYSA-N 0 0 453.185 4.730 20 0 JJADRN C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293081 1068346869 /nfs/dbraw/zinc/34/68/69/1068346869.db2.gz MCWKKDZDEOGYNE-BONVTDFDSA-N 0 0 453.185 4.546 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293091 1068347209 /nfs/dbraw/zinc/34/72/09/1068347209.db2.gz MCWKKDZDEOGYNE-ZUZCIYMTSA-N 0 0 453.185 4.546 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC001463293770 1068347633 /nfs/dbraw/zinc/34/76/33/1068347633.db2.gz GBTOWZRSXKDGKE-XMMPIXPASA-N 0 0 451.588 4.521 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN(Cc2ccccc2Cl)CC1 ZINC001463295307 1068347988 /nfs/dbraw/zinc/34/79/88/1068347988.db2.gz SKNGOOXFUPMJKC-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294751 1068348292 /nfs/dbraw/zinc/34/82/92/1068348292.db2.gz SVCOIXPZDLGEIB-GXFFZTMASA-N 0 0 453.185 4.546 20 0 JJADRN CCCCSc1ccc(Cl)cc1C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001463300888 1068349633 /nfs/dbraw/zinc/34/96/33/1068349633.db2.gz PMHJGTVEJMERPI-SJLPKXTDSA-N 0 0 469.978 4.814 20 0 JJADRN O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1c(Cl)ccc(I)c1F ZINC001463303805 1068349928 /nfs/dbraw/zinc/34/99/28/1068349928.db2.gz ITWFTUHWZDTUSE-NSHDSACASA-N 0 0 450.078 4.634 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 ZINC001463301467 1068350100 /nfs/dbraw/zinc/35/01/00/1068350100.db2.gz RMRLCFJMNQAZGP-HXUWFJFHSA-N 0 0 450.329 4.665 20 0 JJADRN COc1ccc(Br)cc1CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001463305003 1068350486 /nfs/dbraw/zinc/35/04/86/1068350486.db2.gz ZBKQKFVVRVDEAV-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC001463311860 1068352026 /nfs/dbraw/zinc/35/20/26/1068352026.db2.gz WLVMZJDUHPDKMF-QGZVFWFLSA-N 0 0 451.516 4.882 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC001463310787 1068352137 /nfs/dbraw/zinc/35/21/37/1068352137.db2.gz VZKJDPVBBJIUBB-UHFFFAOYSA-N 0 0 458.624 4.672 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)cc12 ZINC001463310484 1068352215 /nfs/dbraw/zinc/35/22/15/1068352215.db2.gz SALIARLTINKUJA-UHFFFAOYSA-N 0 0 458.518 4.702 20 0 JJADRN O=C(NC[C@H]1CCC=CCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001463313008 1068352594 /nfs/dbraw/zinc/35/25/94/1068352594.db2.gz OLTGGVYNEJEXCE-INIZCTEOSA-N 0 0 459.439 4.647 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)nc21 ZINC001463316571 1068353588 /nfs/dbraw/zinc/35/35/88/1068353588.db2.gz UGZFCLUYHVSCMV-UHFFFAOYSA-N 0 0 458.902 4.992 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)NC2CCC(C)(c3ccccc3)CC2)cc1C(F)(F)F ZINC001463315996 1068353643 /nfs/dbraw/zinc/35/36/43/1068353643.db2.gz BBHAJIWRPBNUCD-UHFFFAOYSA-N 0 0 455.498 4.671 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCc4c(F)cc(F)cc4[C@H]3C)cc2)cc1 ZINC001463320872 1068354998 /nfs/dbraw/zinc/35/49/98/1068354998.db2.gz AOKQXHADHFYFAG-OAHLLOKOSA-N 0 0 456.514 4.898 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)ccc1C ZINC001463321597 1068355413 /nfs/dbraw/zinc/35/54/13/1068355413.db2.gz RDVLSKZQBIZACY-KRWDZBQOSA-N 0 0 458.605 4.985 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1)C(F)(F)F ZINC001463321139 1068355570 /nfs/dbraw/zinc/35/55/70/1068355570.db2.gz IVRUBKVHVBEZLD-KQDNUWKFSA-N 0 0 452.498 4.834 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)S(=O)(=O)C1CCCCC1 ZINC001463323057 1068356043 /nfs/dbraw/zinc/35/60/43/1068356043.db2.gz QUESFJYKHYCKQB-QFIPXVFZSA-N 0 0 454.032 4.533 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)C1 ZINC001463323864 1068356527 /nfs/dbraw/zinc/35/65/27/1068356527.db2.gz GHGQKHUUTNWXLZ-DLBZAZTESA-N 0 0 458.580 4.900 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001463326662 1068357716 /nfs/dbraw/zinc/35/77/16/1068357716.db2.gz MEJRNHMXZCITHN-FQEVSTJZSA-N 0 0 454.542 4.738 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)c(O[C@@H](C)CC(C)C)c1 ZINC001463329003 1068358329 /nfs/dbraw/zinc/35/83/29/1068358329.db2.gz AUJLUUQYSGMODZ-AWEZNQCLSA-N 0 0 454.017 4.945 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001463334598 1068359625 /nfs/dbraw/zinc/35/96/25/1068359625.db2.gz BYATUYNOWNWSIG-OAHLLOKOSA-N 0 0 456.505 4.769 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001463334597 1068359856 /nfs/dbraw/zinc/35/98/56/1068359856.db2.gz BYATUYNOWNWSIG-HNNXBMFYSA-N 0 0 456.505 4.769 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)nc1C ZINC001463336079 1068360359 /nfs/dbraw/zinc/36/03/59/1068360359.db2.gz GWARVBOZWQQENU-GOSISDBHSA-N 0 0 459.587 4.631 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001463335824 1068360446 /nfs/dbraw/zinc/36/04/46/1068360446.db2.gz LMIWPWLJRKFDRV-UHFFFAOYSA-N 0 0 454.624 4.937 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001463335661 1068360459 /nfs/dbraw/zinc/36/04/59/1068360459.db2.gz OAVKQKXRNOMMPJ-ROUUACIJSA-N 0 0 455.908 4.882 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)nc1C ZINC001463336426 1068361129 /nfs/dbraw/zinc/36/11/29/1068361129.db2.gz SYMJAXHPBHXQEG-UHFFFAOYSA-N 0 0 456.502 4.599 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC001463342320 1068362893 /nfs/dbraw/zinc/36/28/93/1068362893.db2.gz JPQMSALUYSIPNV-UHFFFAOYSA-N 0 0 453.185 4.559 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(C)c1Cl ZINC001463341842 1068362907 /nfs/dbraw/zinc/36/29/07/1068362907.db2.gz HYPAGNZTZYEXEN-LLVKDONJSA-N 0 0 459.870 4.608 20 0 JJADRN CCCc1c(C(=O)N2CCN(C)c3ccc(Br)cc32)cnn1-c1ccc(F)cc1 ZINC001463342069 1068362937 /nfs/dbraw/zinc/36/29/37/1068362937.db2.gz DMHYBCSRDHQXHF-UHFFFAOYSA-N 0 0 457.347 4.823 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H](C)CN1Cc1ccccc1 ZINC001463343013 1068363581 /nfs/dbraw/zinc/36/35/81/1068363581.db2.gz PAFZRAKJQNLEDP-ROUUACIJSA-N 0 0 457.665 4.877 20 0 JJADRN O=S(=O)(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC001463343575 1068363868 /nfs/dbraw/zinc/36/38/68/1068363868.db2.gz BXHUELKLQLFBAV-VQIMIIECSA-N 0 0 453.461 4.645 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cc2)cc1 ZINC001463345221 1068365314 /nfs/dbraw/zinc/36/53/14/1068365314.db2.gz DTFSXDRIUNNZLE-KBMIEXCESA-N 0 0 453.560 4.934 20 0 JJADRN CN(CCC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(=O)OC(C)(C)C ZINC001463346085 1068365651 /nfs/dbraw/zinc/36/56/51/1068365651.db2.gz UOVBPSAIXPSBMH-UHFFFAOYSA-N 0 0 451.416 4.651 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c(C)c1 ZINC001463346119 1068365820 /nfs/dbraw/zinc/36/58/20/1068365820.db2.gz UYGLKTXYCUYERN-UHFFFAOYSA-N 0 0 452.414 4.817 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)[C@H](C[C@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346631 1068366052 /nfs/dbraw/zinc/36/60/52/1068366052.db2.gz JZTTVMNUSUUBNI-ZJUUUORDSA-N 0 0 453.280 4.754 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)c3c4ccccc4sc3C(=O)OC)CC2)cc1 ZINC001463348678 1068366824 /nfs/dbraw/zinc/36/68/24/1068366824.db2.gz LPNYPNLMWAHOEO-UHFFFAOYSA-N 0 0 457.573 4.565 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC001463355209 1068368451 /nfs/dbraw/zinc/36/84/51/1068368451.db2.gz IGTOCWUNOZLWGG-OAHLLOKOSA-N 0 0 450.398 4.906 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc(F)c1Cl ZINC001463354696 1068368607 /nfs/dbraw/zinc/36/86/07/1068368607.db2.gz IFBOJOFMABAJGR-INIZCTEOSA-N 0 0 450.894 4.513 20 0 JJADRN COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)s1 ZINC001463355791 1068369109 /nfs/dbraw/zinc/36/91/09/1068369109.db2.gz GGANEXCMQJZUKN-LJQANCHMSA-N 0 0 457.017 4.510 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)c(C)s1 ZINC001463358870 1068370163 /nfs/dbraw/zinc/37/01/63/1068370163.db2.gz FGRPKYMWDNZKTN-CYBMUJFWSA-N 0 0 454.589 4.839 20 0 JJADRN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001463358462 1068370212 /nfs/dbraw/zinc/37/02/12/1068370212.db2.gz YCVIEINIZCAGCG-JKSUJKDBSA-N 0 0 451.555 4.680 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)Cc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463359993 1068370611 /nfs/dbraw/zinc/37/06/11/1068370611.db2.gz RPUKCSWKYAKAPW-QOAWAWRESA-N 0 0 457.574 4.630 20 0 JJADRN O=S(=O)(NC(Cc1ccccc1F)Cc1ccccc1F)c1ccc(C(F)(F)F)cn1 ZINC001463359490 1068370843 /nfs/dbraw/zinc/37/08/43/1068370843.db2.gz MFYSSAVTVVRXRN-UHFFFAOYSA-N 0 0 456.436 4.511 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ncoc1-c1ccc(F)cc1)CC2 ZINC001463360137 1068371370 /nfs/dbraw/zinc/37/13/70/1068371370.db2.gz PZKXVBYGFOVJOR-NRFANRHFSA-N 0 0 457.546 4.978 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001463362685 1068371730 /nfs/dbraw/zinc/37/17/30/1068371730.db2.gz FSKOCTOWAWNNLX-QMMMGPOBSA-N 0 0 458.084 4.622 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)COc1ccc(F)c(Cl)c1)CC2 ZINC001463362371 1068371857 /nfs/dbraw/zinc/37/18/57/1068371857.db2.gz WTDLVOTVPJDBTF-FQEVSTJZSA-N 0 0 454.970 4.742 20 0 JJADRN CC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)ccc21 ZINC001463362299 1068371931 /nfs/dbraw/zinc/37/19/31/1068371931.db2.gz YDYCTPSKXWEDMS-CYBMUJFWSA-N 0 0 458.531 4.661 20 0 JJADRN Cc1cc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001463364952 1068373021 /nfs/dbraw/zinc/37/30/21/1068373021.db2.gz XTCJIRFRPIWYRA-UHFFFAOYSA-N 0 0 458.271 4.611 20 0 JJADRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001463364282 1068373158 /nfs/dbraw/zinc/37/31/58/1068373158.db2.gz ZOYGXSNOKFJZCR-DYESRHJHSA-N 0 0 455.601 4.611 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 ZINC001463365194 1068373481 /nfs/dbraw/zinc/37/34/81/1068373481.db2.gz BPHSGRLGZONGMW-UHFFFAOYSA-N 0 0 457.530 4.604 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001463366969 1068374294 /nfs/dbraw/zinc/37/42/94/1068374294.db2.gz FAHXQYUXVNIJNO-SFTDATJTSA-N 0 0 459.631 4.598 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)c1scc(Br)c1Br)C2 ZINC001463373668 1068375717 /nfs/dbraw/zinc/37/57/17/1068375717.db2.gz MJFZLQWNMXMMIJ-LLVKDONJSA-N 0 0 459.203 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001463373590 1068375753 /nfs/dbraw/zinc/37/57/53/1068375753.db2.gz JKBBTFZGJJYTPO-FCQWJQKHSA-N 0 0 454.489 4.595 20 0 JJADRN CCC(C)(C)c1ccc(CNS(=O)(=O)c2cc(Br)c(OC)cc2OC)cc1 ZINC001463373694 1068376111 /nfs/dbraw/zinc/37/61/11/1068376111.db2.gz JPNPMUMUUKBLCQ-UHFFFAOYSA-N 0 0 456.402 4.632 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001463374052 1068376157 /nfs/dbraw/zinc/37/61/57/1068376157.db2.gz MTBYTXMZUIPERW-FOIQADDNSA-N 0 0 456.439 4.618 20 0 JJADRN CC(C)(C)Oc1ccc(CCNS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1 ZINC001463374530 1068376299 /nfs/dbraw/zinc/37/62/99/1068376299.db2.gz GZIJTCSHNQRPCX-UHFFFAOYSA-N 0 0 451.548 4.588 20 0 JJADRN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463376025 1068376587 /nfs/dbraw/zinc/37/65/87/1068376587.db2.gz ANAHXOPUMFSVHG-CMPLNLGQSA-N 0 0 450.832 4.852 20 0 JJADRN CC(C)(C)Oc1ccc(CCNS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1 ZINC001463375786 1068376610 /nfs/dbraw/zinc/37/66/10/1068376610.db2.gz NOBCUOMDIWNVJP-UHFFFAOYSA-N 0 0 451.535 4.915 20 0 JJADRN CC(C)(C)c1ccc(C2(CNS(=O)(=O)c3cccc(Br)n3)CCCC2)cc1 ZINC001463378339 1068377029 /nfs/dbraw/zinc/37/70/29/1068377029.db2.gz ZFUPGRDONLTYQH-UHFFFAOYSA-N 0 0 451.430 4.932 20 0 JJADRN O=S(=O)(c1cccc(Br)c1)N(Cc1csc(Br)c1)C1CC1 ZINC001463376691 1068377280 /nfs/dbraw/zinc/37/72/80/1068377280.db2.gz RUJFJNMPFRJESE-UHFFFAOYSA-N 0 0 451.205 4.626 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 ZINC001463381611 1068378533 /nfs/dbraw/zinc/37/85/33/1068378533.db2.gz HHGHKHKWTBMLFV-HXUWFJFHSA-N 0 0 450.343 4.848 20 0 JJADRN O=C(/C=C/c1cccc(-c2ccc(Cl)cc2)c1)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC001463381981 1068378595 /nfs/dbraw/zinc/37/85/95/1068378595.db2.gz GMSFRFKQLOSTNX-KPKJPENVSA-N 0 0 452.982 4.698 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)c2c(c1)OCCO2 ZINC001463383057 1068379072 /nfs/dbraw/zinc/37/90/72/1068379072.db2.gz ZRRXPTVHNAALPD-UHFFFAOYSA-N 0 0 453.269 4.701 20 0 JJADRN CCC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546138675 1068379787 /nfs/dbraw/zinc/37/97/87/1068379787.db2.gz JMAGLXBTFWARBI-IBGZPJMESA-N 0 0 485.654 4.830 20 0 JJADRN CC[C@]1(C)COCCN1S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001463386051 1068380408 /nfs/dbraw/zinc/38/04/08/1068380408.db2.gz CJEDQXYNVHSHAT-LJQANCHMSA-N 0 0 458.349 4.570 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1c(F)cccc1Br ZINC001463387964 1068381208 /nfs/dbraw/zinc/38/12/08/1068381208.db2.gz JJQWBZAEDRHVOD-SNVBAGLBSA-N 0 0 451.155 4.732 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c(F)cc1Cl ZINC001463387894 1068381225 /nfs/dbraw/zinc/38/12/25/1068381225.db2.gz BRKOQLFRRBNEBB-AWEZNQCLSA-N 0 0 457.926 4.753 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1cccc2cc(=O)[nH]cc21)C(F)(F)F ZINC001463391151 1068382106 /nfs/dbraw/zinc/38/21/06/1068382106.db2.gz FKPIVDSUPRMOLD-FQEVSTJZSA-N 0 0 454.452 4.819 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C ZINC001463394031 1068382978 /nfs/dbraw/zinc/38/29/78/1068382978.db2.gz LYQYTARELNGHCE-CQSZACIVSA-N 0 0 453.461 4.997 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001463396488 1068383286 /nfs/dbraw/zinc/38/32/86/1068383286.db2.gz UPPBOFRDNJXNIA-FXAWDEMLSA-N 0 0 454.571 4.765 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2ccccc2OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396382 1068383301 /nfs/dbraw/zinc/38/33/01/1068383301.db2.gz PURNLSUKDGCXAJ-OAQYLSRUSA-N 0 0 451.466 4.791 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC001463396036 1068383572 /nfs/dbraw/zinc/38/35/72/1068383572.db2.gz PGLYLCACOWYMFP-IBGZPJMESA-N 0 0 456.530 4.702 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)NCCn1c2ccccc2c2ccccc21 ZINC001463399726 1068384216 /nfs/dbraw/zinc/38/42/16/1068384216.db2.gz WGFOBMKHTCONLC-UHFFFAOYSA-N 0 0 457.393 4.985 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC001463399802 1068384572 /nfs/dbraw/zinc/38/45/72/1068384572.db2.gz WMMUOHLOZLABQY-JTQLQIEISA-N 0 0 451.155 4.732 20 0 JJADRN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)ccc21 ZINC001463400755 1068384750 /nfs/dbraw/zinc/38/47/50/1068384750.db2.gz GISSAIWXSRTREX-ZDUSSCGKSA-N 0 0 453.391 4.601 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC001463401064 1068384972 /nfs/dbraw/zinc/38/49/72/1068384972.db2.gz SCDFKKJQFNANTB-REWPJTCUSA-N 0 0 459.514 4.902 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC001463401056 1068385074 /nfs/dbraw/zinc/38/50/74/1068385074.db2.gz SCDFKKJQFNANTB-OFNKIYASSA-N 0 0 459.514 4.902 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(OC)c2OC)c1 ZINC001463402397 1068385227 /nfs/dbraw/zinc/38/52/27/1068385227.db2.gz STIORSWOHGYUIE-XUZZJYLKSA-N 0 0 453.560 4.632 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(OC)c2OC)c1 ZINC001463402396 1068385285 /nfs/dbraw/zinc/38/52/85/1068385285.db2.gz STIORSWOHGYUIE-URXFXBBRSA-N 0 0 453.560 4.632 20 0 JJADRN CCCCn1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)c(C)n1 ZINC001463403938 1068385996 /nfs/dbraw/zinc/38/59/96/1068385996.db2.gz ZIXNOXNSPDDVFD-NOZRDPDXSA-N 0 0 453.608 4.920 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1ccoc1Br)C(F)(F)F ZINC001463406684 1068386620 /nfs/dbraw/zinc/38/66/20/1068386620.db2.gz ZFTBDFHACMMWBA-OAHLLOKOSA-N 0 0 456.262 4.921 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC001463408689 1068386887 /nfs/dbraw/zinc/38/68/87/1068386887.db2.gz GGSZMDVDVBHNBK-XYSUMVETSA-N 0 0 457.979 4.885 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001463408082 1068387022 /nfs/dbraw/zinc/38/70/22/1068387022.db2.gz KITXALJGVSJJLZ-MEDUHNTESA-N 0 0 452.292 4.522 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1OC ZINC001463410243 1068388096 /nfs/dbraw/zinc/38/80/96/1068388096.db2.gz JEWOIKKFTNPHEP-MEKIYTOJSA-N 0 0 453.645 4.620 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463410531 1068388203 /nfs/dbraw/zinc/38/82/03/1068388203.db2.gz KEEHZXZFKXPFRN-YWZLYKJASA-N 0 0 453.963 4.807 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463411202 1068388577 /nfs/dbraw/zinc/38/85/77/1068388577.db2.gz FTGXGCIBOPCCHT-KRWDZBQOSA-N 0 0 451.658 4.544 20 0 JJADRN Cc1ccc(Br)c2c1N(S(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2 ZINC001463412322 1068389344 /nfs/dbraw/zinc/38/93/44/1068389344.db2.gz RFSLGDPQFYSJCD-UHFFFAOYSA-N 0 0 450.276 4.640 20 0 JJADRN COc1cccc(/C=C/c2cc(C(=O)N[C@H]3CCOC3)c3cc(Br)ccc3n2)c1 ZINC001463412899 1068389620 /nfs/dbraw/zinc/38/96/20/1068389620.db2.gz SPDUKEGXSPIQTL-FZMUQLTDSA-N 0 0 453.336 4.695 20 0 JJADRN CN(C)c1cc(C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c2ccccc2n1 ZINC001463412974 1068389698 /nfs/dbraw/zinc/38/96/98/1068389698.db2.gz MLXHQIPIRGJGTH-AREMUKBSSA-N 0 0 452.599 4.697 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2cc(C)cnc2Cl)cc1OC ZINC001463413644 1068389887 /nfs/dbraw/zinc/38/98/87/1068389887.db2.gz RQLWYURCNLERJQ-WMZOPIPTSA-N 0 0 453.004 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC001463417769 1068391269 /nfs/dbraw/zinc/39/12/69/1068391269.db2.gz SBWQDOVQVCZXEF-LJQANCHMSA-N 0 0 454.571 4.864 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC001463419441 1068391780 /nfs/dbraw/zinc/39/17/80/1068391780.db2.gz BOCYPUADZVLVCS-KXBFYZLASA-N 0 0 452.473 4.643 20 0 JJADRN O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCCc2cc(Br)ccc21 ZINC001463420575 1068392163 /nfs/dbraw/zinc/39/21/63/1068392163.db2.gz IHMMWWRKWSLFLU-UHFFFAOYSA-N 0 0 450.276 4.721 20 0 JJADRN O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)Oc1cccc(Oc2cccnc2)c1 ZINC001463422341 1068392292 /nfs/dbraw/zinc/39/22/92/1068392292.db2.gz LGDMDPBIFZJRHJ-GDLZYMKVSA-N 0 0 458.439 4.544 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001463428392 1068393612 /nfs/dbraw/zinc/39/36/12/1068393612.db2.gz KDEFORPAYZBMFF-CABCVRRESA-N 0 0 451.304 4.817 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001463429869 1068394721 /nfs/dbraw/zinc/39/47/21/1068394721.db2.gz BYCHZNAAJIBOBC-SNVBAGLBSA-N 0 0 457.276 4.709 20 0 JJADRN COC(=O)c1cccc(CS(=O)(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001463431922 1068395279 /nfs/dbraw/zinc/39/52/79/1068395279.db2.gz IIKUFXDONUYSQM-UXHICEINSA-N 0 0 455.498 4.590 20 0 JJADRN COC(=O)c1cccc(CS(=O)(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001463431933 1068395489 /nfs/dbraw/zinc/39/54/89/1068395489.db2.gz IIKUFXDONUYSQM-WOJBJXKFSA-N 0 0 455.498 4.590 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001463432930 1068395807 /nfs/dbraw/zinc/39/58/07/1068395807.db2.gz GBIWKOJMMVLBIV-GOSISDBHSA-N 0 0 455.555 4.650 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)cc12 ZINC001463436124 1068397201 /nfs/dbraw/zinc/39/72/01/1068397201.db2.gz NNQCKNAKNHWRCX-VQIMIIECSA-N 0 0 453.486 4.761 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2)cc1 ZINC001463437743 1068397698 /nfs/dbraw/zinc/39/76/98/1068397698.db2.gz ZGZBIQSEPHTKHF-HSZRJFAPSA-N 0 0 454.523 4.643 20 0 JJADRN O=S(=O)(c1cc(Br)ccc1Cl)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001463443546 1068398563 /nfs/dbraw/zinc/39/85/63/1068398563.db2.gz JJUUXLMDZAKGPF-UHFFFAOYSA-N 0 0 458.805 4.599 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccc1Cl)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001463448668 1068400440 /nfs/dbraw/zinc/40/04/40/1068400440.db2.gz ORUMCFVHUXZEOT-JXFKEZNVSA-N 0 0 457.901 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)C1 ZINC001463456083 1068404943 /nfs/dbraw/zinc/40/49/43/1068404943.db2.gz YELVLPRHCLHULY-QGZVFWFLSA-N 0 0 454.571 4.516 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC[C@H](C)c2ccccc21 ZINC001463457464 1068404976 /nfs/dbraw/zinc/40/49/76/1068404976.db2.gz XOAFYAWVNQVONW-OWJWWREXSA-N 0 0 454.523 4.557 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCCC[C@@H]2c2ccccc2)C1)OCc1ccccc1 ZINC001463459948 1068406838 /nfs/dbraw/zinc/40/68/38/1068406838.db2.gz FONWOQNQLIZGQY-YFNKSVMNSA-N 0 0 456.608 4.639 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1 ZINC001463459887 1068406916 /nfs/dbraw/zinc/40/69/16/1068406916.db2.gz DXZKCEWZFDUIBS-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC001463461821 1068407621 /nfs/dbraw/zinc/40/76/21/1068407621.db2.gz DWNHZXYUDIISSC-GOSISDBHSA-N 0 0 450.604 4.983 20 0 JJADRN COCCOc1ccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC001463461556 1068407634 /nfs/dbraw/zinc/40/76/34/1068407634.db2.gz MKCXAUFOUUKFPV-UHFFFAOYSA-N 0 0 458.407 4.809 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cc(Br)cnc1Br ZINC001463464037 1068408231 /nfs/dbraw/zinc/40/82/31/1068408231.db2.gz ZZMGGSXCKWRIDP-CQSZACIVSA-N 0 0 456.182 4.704 20 0 JJADRN C[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC001463464603 1068409198 /nfs/dbraw/zinc/40/91/98/1068409198.db2.gz DANHQMHJCKJJOK-UFHPHHKVSA-N 0 0 457.574 4.573 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1 ZINC001463464209 1068409294 /nfs/dbraw/zinc/40/92/94/1068409294.db2.gz ALUKHBUTNKOZMF-KRWDZBQOSA-N 0 0 455.352 4.618 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1CC ZINC001463465607 1068409932 /nfs/dbraw/zinc/40/99/32/1068409932.db2.gz KNJXZEFPCWLQSR-UHFFFAOYSA-N 0 0 451.386 4.760 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)cc1I ZINC001463467899 1068410721 /nfs/dbraw/zinc/41/07/21/1068410721.db2.gz LJBOHFGMUMPXRB-LJQANCHMSA-N 0 0 456.327 4.751 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c3ccc(C)cc3)cc21 ZINC001463469384 1068411489 /nfs/dbraw/zinc/41/14/89/1068411489.db2.gz HXVOMQOCGCSHNU-FOIQADDNSA-N 0 0 454.514 4.827 20 0 JJADRN O=S(=O)(NCC1(c2ccc(F)cc2Cl)CC1)c1cccc(Cl)c1Br ZINC001463469249 1068411618 /nfs/dbraw/zinc/41/16/18/1068411618.db2.gz GGCKXXUIHVSDAR-UHFFFAOYSA-N 0 0 453.160 4.905 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001463470468 1068412281 /nfs/dbraw/zinc/41/22/81/1068412281.db2.gz XEWWSTVFPYWANL-YGRLFVJLSA-N 0 0 479.446 4.666 20 0 JJADRN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001463472007 1068412962 /nfs/dbraw/zinc/41/29/62/1068412962.db2.gz IOVBGDQTJXCVPL-AWEZNQCLSA-N 0 0 453.391 4.759 20 0 JJADRN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC001463472011 1068413066 /nfs/dbraw/zinc/41/30/66/1068413066.db2.gz IOVBGDQTJXCVPL-CQSZACIVSA-N 0 0 453.391 4.759 20 0 JJADRN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001463476872 1068414343 /nfs/dbraw/zinc/41/43/43/1068414343.db2.gz YVLASXCPXNYXKU-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N(CCCOc2ccccc2)C2CCOCC2)c1Cl ZINC001463475635 1068414392 /nfs/dbraw/zinc/41/43/92/1068414392.db2.gz UIHAKDKWWALGTG-UHFFFAOYSA-N 0 0 458.407 4.941 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCc3cc(C(C)C)ccc3C2)C1 ZINC001463486214 1068416441 /nfs/dbraw/zinc/41/64/41/1068416441.db2.gz ZGCIUJYNZFPSSV-RPLLCQBOSA-N 0 0 450.579 4.511 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)ccc1C ZINC001463496256 1068419184 /nfs/dbraw/zinc/41/91/84/1068419184.db2.gz DZKRVZXOYCWAQD-UHFFFAOYSA-N 0 0 455.498 4.938 20 0 JJADRN COc1ccccc1-c1nc(C(=O)Nc2cccc(C)c2I)cs1 ZINC001463495310 1068419278 /nfs/dbraw/zinc/41/92/78/1068419278.db2.gz UAPHHSPWWGGKTH-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN COc1c(F)cc(S(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1F ZINC001463496447 1068419798 /nfs/dbraw/zinc/41/97/98/1068419798.db2.gz NFPSSBOPLIOYKD-INIZCTEOSA-N 0 0 454.495 4.592 20 0 JJADRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463497605 1068419816 /nfs/dbraw/zinc/41/98/16/1068419816.db2.gz JURNYRBAXOPNRN-RKDXNWHRSA-N 0 0 454.230 4.819 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)Oc2cc(Br)ccc2Br)cc1 ZINC001463501720 1068420455 /nfs/dbraw/zinc/42/04/55/1068420455.db2.gz GARAUNKDLLWSNW-UHFFFAOYSA-N 0 0 456.130 4.718 20 0 JJADRN Cc1cccc(COc2ccc(CNS(=O)(=O)c3cc4nc(Cl)ncc4s3)cc2)c1 ZINC001463508361 1068423253 /nfs/dbraw/zinc/42/32/53/1068423253.db2.gz DUFUTZCXKWNYAU-UHFFFAOYSA-N 0 0 459.980 4.711 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Oc1cc(C)c(Br)c(C)c1 ZINC001463508808 1068423316 /nfs/dbraw/zinc/42/33/16/1068423316.db2.gz YTWTUSJTXSZQBG-UHFFFAOYSA-N 0 0 454.386 4.706 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001546139571 1068423985 /nfs/dbraw/zinc/42/39/85/1068423985.db2.gz KYJIKKYIMNTVID-SBUREZEXSA-N 0 0 451.567 4.607 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)c2)no1 ZINC001463510770 1068424452 /nfs/dbraw/zinc/42/44/52/1068424452.db2.gz IPWMUNRSHUEGEB-BCHFMIIMSA-N 0 0 468.598 4.987 20 0 JJADRN CCc1ccc([C@@H]2CN(S(=O)(=O)c3cc(Br)c(Cl)cc3C)CCO2)cc1 ZINC001463511908 1068424495 /nfs/dbraw/zinc/42/44/95/1068424495.db2.gz KXLQEDDVXRUTGP-SFHVURJKSA-N 0 0 458.805 4.736 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)c1 ZINC001463511021 1068424552 /nfs/dbraw/zinc/42/45/52/1068424552.db2.gz OUKRLJSSPWPCKY-UHFFFAOYSA-N 0 0 453.377 4.675 20 0 JJADRN O=S(=O)(NCc1ccc(C2CCC2)cc1)c1cc(Br)ccc1Br ZINC001463515492 1068426034 /nfs/dbraw/zinc/42/60/34/1068426034.db2.gz VSAHXTZBLVIFLL-UHFFFAOYSA-N 0 0 459.203 4.958 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC001463519634 1068426568 /nfs/dbraw/zinc/42/65/68/1068426568.db2.gz FJVAZBLTQBGNSP-UHFFFAOYSA-N 0 0 451.445 4.963 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001463519480 1068426602 /nfs/dbraw/zinc/42/66/02/1068426602.db2.gz DMZQZAVXEVYPGA-KRWDZBQOSA-N 0 0 453.514 4.505 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3s2)cc1Br ZINC001463522902 1068427400 /nfs/dbraw/zinc/42/74/00/1068427400.db2.gz BNVXPTRKYCRXGI-NSHDSACASA-N 0 0 453.383 4.662 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1C(F)(F)F ZINC001463522088 1068427474 /nfs/dbraw/zinc/42/74/74/1068427474.db2.gz XWHJTAUDVAXSAW-UHFFFAOYSA-N 0 0 455.410 4.532 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001546139756 1068428759 /nfs/dbraw/zinc/42/87/59/1068428759.db2.gz OZVFTLAWOGMCAP-SNAWJCMRSA-N 0 0 451.354 4.943 20 0 JJADRN O=S(=O)(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Br)c(F)c1 ZINC001463533102 1068430919 /nfs/dbraw/zinc/43/09/19/1068430919.db2.gz LJMBQIZTIJGBBA-UHFFFAOYSA-N 0 0 452.267 4.617 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463533436 1068430993 /nfs/dbraw/zinc/43/09/93/1068430993.db2.gz YGDMSQLYMOPFSY-GFCCVEGCSA-N 0 0 458.889 4.998 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCc2c1cccc2C(F)(F)F ZINC001463533475 1068431482 /nfs/dbraw/zinc/43/14/82/1068431482.db2.gz DQEDLYMYQYGZNP-UHFFFAOYSA-N 0 0 450.276 4.618 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC001463537152 1068433030 /nfs/dbraw/zinc/43/30/30/1068433030.db2.gz DRIKAYOFTCUOFZ-RBUKOAKNSA-N 0 0 453.587 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC001463537146 1068433077 /nfs/dbraw/zinc/43/30/77/1068433077.db2.gz DRIKAYOFTCUOFZ-MOPGFXCFSA-N 0 0 453.587 4.549 20 0 JJADRN CC[C@@H](CN(C)S(=O)(=O)c1cnc(Cl)c(OC)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001463540346 1068434514 /nfs/dbraw/zinc/43/45/14/1068434514.db2.gz FGFKOHPMIYOIDZ-NSHDSACASA-N 0 0 453.775 4.529 20 0 JJADRN CCOC(=O)[C@H]1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC001463540160 1068434576 /nfs/dbraw/zinc/43/45/76/1068434576.db2.gz OQCVSMIHEIDPAA-IBGZPJMESA-N 0 0 455.498 4.525 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001463540769 1068434590 /nfs/dbraw/zinc/43/45/90/1068434590.db2.gz MHDBUQSCTSAQBC-HXUWFJFHSA-N 0 0 459.384 4.942 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001463540763 1068434644 /nfs/dbraw/zinc/43/46/44/1068434644.db2.gz MHDBUQSCTSAQBC-FQEVSTJZSA-N 0 0 459.384 4.942 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC001463542723 1068435207 /nfs/dbraw/zinc/43/52/07/1068435207.db2.gz JOOSPHTVOQJBHK-GGAORHGYSA-N 0 0 450.579 4.763 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC001463548727 1068438022 /nfs/dbraw/zinc/43/80/22/1068438022.db2.gz FLVSFDRDDKNBKL-UHFFFAOYSA-N 0 0 459.768 4.728 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001463551061 1068438836 /nfs/dbraw/zinc/43/88/36/1068438836.db2.gz UTZQOTHPCLUENN-BEFAXECRSA-N 0 0 459.612 4.763 20 0 JJADRN Cn1c2ccccc2nc1C(C)(C)NS(=O)(=O)c1ccc2ccccc2c1Br ZINC001463552539 1068438925 /nfs/dbraw/zinc/43/89/25/1068438925.db2.gz BEEFLEVEWGNEJZ-UHFFFAOYSA-N 0 0 458.381 4.703 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(S(=O)(=O)c1cscc1Br)CC2 ZINC001463557184 1068440795 /nfs/dbraw/zinc/44/07/95/1068440795.db2.gz RIGQDMHOHJPBED-UHFFFAOYSA-N 0 0 459.387 4.609 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001463557819 1068440870 /nfs/dbraw/zinc/44/08/70/1068440870.db2.gz CJMMTCQBGXPIHW-HKUYNNGSSA-N 0 0 452.414 4.928 20 0 JJADRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Sc3ccccc3)c2)[C@H]1Oc1ccccc1 ZINC001463557277 1068440907 /nfs/dbraw/zinc/44/09/07/1068440907.db2.gz YGOBBWGVOOZUGO-WXFUMESZSA-N 0 0 455.601 4.741 20 0 JJADRN O=C(c1ccc(OCC(F)F)nc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC001463558798 1068442449 /nfs/dbraw/zinc/44/24/49/1068442449.db2.gz YRVHDYCLSIBLKX-UHFFFAOYSA-N 0 0 452.501 4.514 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001463559491 1068442574 /nfs/dbraw/zinc/44/25/74/1068442574.db2.gz TWSFZACEZXSQSR-UHFFFAOYSA-N 0 0 454.998 4.713 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001463561041 1068443341 /nfs/dbraw/zinc/44/33/41/1068443341.db2.gz NHUNXHKCQQTYHW-LSDHHAIUSA-N 0 0 458.805 4.801 20 0 JJADRN Cc1ccc(NC(=O)CSCC(F)(F)F)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463562953 1068444993 /nfs/dbraw/zinc/44/49/93/1068444993.db2.gz GFCXNFRTQJJOED-UHFFFAOYSA-N 0 0 452.907 4.683 20 0 JJADRN Cn1nc(C(=O)NCC(c2ccccc2)c2ccccc2)c(Br)c1C(F)(F)F ZINC001463563098 1068445037 /nfs/dbraw/zinc/44/50/37/1068445037.db2.gz KZOIGPSCEUACKO-UHFFFAOYSA-N 0 0 452.274 4.763 20 0 JJADRN COC[C@]1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCCN1C(=O)OC(C)(C)C ZINC001463563985 1068445670 /nfs/dbraw/zinc/44/56/70/1068445670.db2.gz SBUHUYAVHXGHCF-MHZLTWQESA-N 0 0 452.595 4.741 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001463565564 1068446665 /nfs/dbraw/zinc/44/66/65/1068446665.db2.gz UXQQVQTYZFASIE-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN COc1cccc(S(=O)(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1F ZINC001463566853 1068448073 /nfs/dbraw/zinc/44/80/73/1068448073.db2.gz DBKBXRMKBAFYAP-KRWDZBQOSA-N 0 0 450.532 4.537 20 0 JJADRN Cc1cc(C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)ccc1Br ZINC001463566822 1068448205 /nfs/dbraw/zinc/44/82/05/1068448205.db2.gz WZFGBFRYCHFNAJ-HNNXBMFYSA-N 0 0 450.398 4.649 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001463567699 1068449030 /nfs/dbraw/zinc/44/90/30/1068449030.db2.gz BUXZWKDJNKSOEY-UHFFFAOYSA-N 0 0 457.405 4.813 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(C(C)C)cc3)cc2)cc1 ZINC001463573703 1068451880 /nfs/dbraw/zinc/45/18/80/1068451880.db2.gz QPHAQCVPDROUMS-UHFFFAOYSA-N 0 0 452.576 4.592 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001463575983 1068452524 /nfs/dbraw/zinc/45/25/24/1068452524.db2.gz VTSUNBPAKDECOD-AYOQOUSVSA-N 0 0 452.979 4.790 20 0 JJADRN O=S(=O)([C@@H]1C[C@H]1c1ccccc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463578712 1068453123 /nfs/dbraw/zinc/45/31/23/1068453123.db2.gz OJXSUVQSMHOQLJ-IPMKNSEASA-N 0 0 479.442 4.983 20 0 JJADRN O=S(=O)([C@@H]1C[C@H]1c1ccccc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463578676 1068453171 /nfs/dbraw/zinc/45/31/71/1068453171.db2.gz OJXSUVQSMHOQLJ-GBESFXJTSA-N 0 0 479.442 4.983 20 0 JJADRN O=S(=O)(Cc1ccccc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001463577149 1068453206 /nfs/dbraw/zinc/45/32/06/1068453206.db2.gz IWZVHGOUBLEBTO-QGZVFWFLSA-N 0 0 453.404 4.628 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)cc1 ZINC001463577568 1068453217 /nfs/dbraw/zinc/45/32/17/1068453217.db2.gz FGMKNJYFJKRHQG-UHFFFAOYSA-N 0 0 452.414 4.980 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)S(=O)(=O)CC[C@@H]2CCCO2)c(Br)c1 ZINC001463580633 1068454503 /nfs/dbraw/zinc/45/45/03/1068454503.db2.gz GDFICXPIJZDEFI-KRWDZBQOSA-N 0 0 458.443 4.720 20 0 JJADRN C[C@@H]1Cc2cccc(S(=O)(=O)N3CCC(C)(c4ccc(Br)cc4)CC3)c2O1 ZINC001463582884 1068456220 /nfs/dbraw/zinc/45/62/20/1068456220.db2.gz YVXJMGZZBAKVKV-OAHLLOKOSA-N 0 0 450.398 4.515 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463587257 1068457632 /nfs/dbraw/zinc/45/76/32/1068457632.db2.gz JEKYIHMWTZAKTJ-IDHHARJASA-N 0 0 456.391 4.633 20 0 JJADRN CSc1nc2ccc(NC(=O)c3c[nH]nc3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001463588722 1068458222 /nfs/dbraw/zinc/45/82/22/1068458222.db2.gz BYSZCUUOHUXOOA-GFCCVEGCSA-N 0 0 459.597 4.718 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)cc1 ZINC001463587609 1068458274 /nfs/dbraw/zinc/45/82/74/1068458274.db2.gz FJFRTVUEGYVDBF-VQTJNVASSA-N 0 0 459.656 4.973 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)cc1 ZINC001463587613 1068458280 /nfs/dbraw/zinc/45/82/80/1068458280.db2.gz FJFRTVUEGYVDBF-WOJBJXKFSA-N 0 0 459.656 4.973 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001463590355 1068458874 /nfs/dbraw/zinc/45/88/74/1068458874.db2.gz PRJJYDNHJZXTNN-KRWDZBQOSA-N 0 0 456.377 4.915 20 0 JJADRN Cc1ccccc1CN1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001463593413 1068459521 /nfs/dbraw/zinc/45/95/21/1068459521.db2.gz SLKJKBBILUCJCY-UHFFFAOYSA-N 0 0 457.290 4.614 20 0 JJADRN CCOC(Cn1ncc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)c1N)OCC ZINC001463596826 1068460130 /nfs/dbraw/zinc/46/01/30/1068460130.db2.gz OHGRYZYMCROXCD-UHFFFAOYSA-N 0 0 458.946 4.871 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1cccc2ccccc21 ZINC001463600086 1068460897 /nfs/dbraw/zinc/46/08/97/1068460897.db2.gz SGYMZFUENSGINA-KRWDZBQOSA-N 0 0 450.585 4.871 20 0 JJADRN O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001463603601 1068462458 /nfs/dbraw/zinc/46/24/58/1068462458.db2.gz CDBIVGFOTMUXGP-HNNXBMFYSA-N 0 0 452.399 4.817 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463604260 1068462541 /nfs/dbraw/zinc/46/25/41/1068462541.db2.gz AHNRNSIPJKCQAB-JTDSTZFVSA-N 0 0 458.780 4.574 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC001463603996 1068462565 /nfs/dbraw/zinc/46/25/65/1068462565.db2.gz GNPAULSFEVQFBJ-ZDUSSCGKSA-N 0 0 454.777 4.504 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC001463606444 1068463359 /nfs/dbraw/zinc/46/33/59/1068463359.db2.gz IUVCLAHYBRBRJL-GFCCVEGCSA-N 0 0 452.916 4.835 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cccc(I)c1)c1ccccc1 ZINC001463605643 1068463395 /nfs/dbraw/zinc/46/33/95/1068463395.db2.gz LKRNHNTUVGIRAT-UHFFFAOYSA-N 0 0 452.292 4.671 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)s2)c(C)c1 ZINC001463606427 1068463415 /nfs/dbraw/zinc/46/34/15/1068463415.db2.gz WVIRNKOHXVCFGR-UHFFFAOYSA-N 0 0 456.011 4.917 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C)Oc2ccc(Br)cc21 ZINC001463607283 1068464141 /nfs/dbraw/zinc/46/41/41/1068464141.db2.gz NETJPWTYTAZIHL-NSHDSACASA-N 0 0 450.276 4.753 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001463606637 1068464164 /nfs/dbraw/zinc/46/41/64/1068464164.db2.gz PVDKXZMAMPWLME-LLVKDONJSA-N 0 0 450.732 4.906 20 0 JJADRN C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)c2cc(Br)ccc2O1 ZINC001463610618 1068465485 /nfs/dbraw/zinc/46/54/85/1068465485.db2.gz XQUSSMUPFNCWRL-JTQLQIEISA-N 0 0 451.169 4.873 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001463614899 1068466981 /nfs/dbraw/zinc/46/69/81/1068466981.db2.gz RVLBRUPRAHOPJS-UHFFFAOYSA-N 0 0 451.331 4.703 20 0 JJADRN COC[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1 ZINC001463613846 1068467108 /nfs/dbraw/zinc/46/71/08/1068467108.db2.gz HLLLDSLAHWLCLD-LJQANCHMSA-N 0 0 454.773 4.922 20 0 JJADRN O=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N1CCN(CCOc2ccccc2)CC1 ZINC001463613688 1068467139 /nfs/dbraw/zinc/46/71/39/1068467139.db2.gz UDDPPEAZPYMSEV-UHFFFAOYSA-N 0 0 458.530 4.853 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001463619526 1068468447 /nfs/dbraw/zinc/46/84/47/1068468447.db2.gz ZQIQCVVNFFOIBQ-UHFFFAOYSA-N 0 0 457.939 4.564 20 0 JJADRN Cc1cc2cc(S(=O)(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)ccc2[nH]c1=O ZINC001463620311 1068469281 /nfs/dbraw/zinc/46/92/81/1068469281.db2.gz UNODKCVVTLVHEV-UHFFFAOYSA-N 0 0 451.375 4.544 20 0 JJADRN COc1cc(F)c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(F)c1 ZINC001463624050 1068470740 /nfs/dbraw/zinc/47/07/40/1068470740.db2.gz JZOATUGNKBEFRY-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001463626087 1068472110 /nfs/dbraw/zinc/47/21/10/1068472110.db2.gz WWWNLXZPXJRDPA-UHFFFAOYSA-N 0 0 457.530 4.855 20 0 JJADRN COC(=O)c1ccc(OC)cc1S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001463626830 1068472805 /nfs/dbraw/zinc/47/28/05/1068472805.db2.gz ZKKBBZZWZGCYIE-NRFANRHFSA-N 0 0 451.972 4.687 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)ccc1OC ZINC001463626842 1068472824 /nfs/dbraw/zinc/47/28/24/1068472824.db2.gz ZLQSUHBHGPIIFK-NRFANRHFSA-N 0 0 451.972 4.687 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(O)c(F)c1 ZINC001463626558 1068472849 /nfs/dbraw/zinc/47/28/49/1068472849.db2.gz PZIGSHFPHPTXIG-UHFFFAOYSA-N 0 0 454.401 4.603 20 0 JJADRN Cc1cc(C(=O)NCCCN2CCOCC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001463626989 1068472909 /nfs/dbraw/zinc/47/29/09/1068472909.db2.gz RXCZSOKFUWGXFG-KRWDZBQOSA-N 0 0 450.410 4.927 20 0 JJADRN O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N(c1ccsc1)C1CCCCC1 ZINC001463629210 1068474958 /nfs/dbraw/zinc/47/49/58/1068474958.db2.gz UCHCQEFDYFEHLN-UHFFFAOYSA-N 0 0 453.529 4.570 20 0 JJADRN COCCN([C@@H]1CC[C@H](C)C1)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463631061 1068475587 /nfs/dbraw/zinc/47/55/87/1068475587.db2.gz PSOUPIOOJLBYQM-OXJNMPFZSA-N 0 0 452.414 4.942 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1 ZINC001463631014 1068475618 /nfs/dbraw/zinc/47/56/18/1068475618.db2.gz FVBFDNZRPWYVRH-SFHVURJKSA-N 0 0 456.589 4.590 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC001463631714 1068475622 /nfs/dbraw/zinc/47/56/22/1068475622.db2.gz IOYWAEWFISFTSD-UHFFFAOYSA-N 0 0 456.967 4.585 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC001463635860 1068476751 /nfs/dbraw/zinc/47/67/51/1068476751.db2.gz WHWPTBPQYNYVNY-UHFFFAOYSA-N 0 0 455.527 4.982 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)cc2)cc1 ZINC001463637422 1068477511 /nfs/dbraw/zinc/47/75/11/1068477511.db2.gz YNRJUWFGYWOBIO-OPAMFIHVSA-N 0 0 456.589 4.746 20 0 JJADRN CN1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639891 1068478335 /nfs/dbraw/zinc/47/83/35/1068478335.db2.gz JPXOUOZZKTYREZ-NRFANRHFSA-N 0 0 452.542 4.999 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)cc1 ZINC001463638839 1068478355 /nfs/dbraw/zinc/47/83/55/1068478355.db2.gz ZMFQPWZRIAVOID-UHFFFAOYSA-N 0 0 453.402 4.660 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(Cl)c1Br ZINC001463649569 1068480091 /nfs/dbraw/zinc/48/00/91/1068480091.db2.gz NMHHKSLYKAKQOQ-UHFFFAOYSA-N 0 0 451.535 4.515 20 0 JJADRN O=C1[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CCCN1c1ccc(Cl)cc1Cl ZINC001463655750 1068483736 /nfs/dbraw/zinc/48/37/36/1068483736.db2.gz FFUAEWCNWHERCX-QXLXQBSBSA-N 0 0 459.782 4.733 20 0 JJADRN COC(=O)c1coc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001463656367 1068484322 /nfs/dbraw/zinc/48/43/22/1068484322.db2.gz PETWPAFIOUYUGX-NSHDSACASA-N 0 0 459.467 4.853 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCC(O)(c3ccccc3Cl)CC2)c2ccccc12 ZINC001463658477 1068485007 /nfs/dbraw/zinc/48/50/07/1068485007.db2.gz NGVHNSZNAKYCLD-UHFFFAOYSA-N 0 0 459.995 4.953 20 0 JJADRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cc1 ZINC001463660372 1068485690 /nfs/dbraw/zinc/48/56/90/1068485690.db2.gz TWVCQXILZLSIKH-RDJZCZTQSA-N 0 0 458.477 4.770 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)Oc1cccc2cc(Br)cnc21 ZINC001463660425 1068485807 /nfs/dbraw/zinc/48/58/07/1068485807.db2.gz XEVQPCFXGVKJLR-UHFFFAOYSA-N 0 0 457.143 4.669 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccsc1Br)c1ccc(Oc2cccnc2)cc1 ZINC001463661838 1068486407 /nfs/dbraw/zinc/48/64/07/1068486407.db2.gz GQMQNZSDTPSYLD-CYBMUJFWSA-N 0 0 453.383 4.879 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)Oc2ccc(SC(F)(F)F)cc2)c1 ZINC001463664420 1068487679 /nfs/dbraw/zinc/48/76/79/1068487679.db2.gz LIHRPAZKAVPHTQ-UHFFFAOYSA-N 0 0 456.305 4.895 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc(SC(F)(F)F)cc2)c1OC ZINC001463664105 1068487716 /nfs/dbraw/zinc/48/77/16/1068487716.db2.gz KWFNGULWOBVLSB-UHFFFAOYSA-N 0 0 456.847 4.515 20 0 JJADRN COCCCC[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)c1ccccc1 ZINC001463665213 1068487786 /nfs/dbraw/zinc/48/77/86/1068487786.db2.gz NKGSDIBBHUPUEX-GOSISDBHSA-N 0 0 451.386 4.767 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Nc1ccc2ccccc2c1)C(=O)c1ccc(Br)cc1 ZINC001463666440 1068488540 /nfs/dbraw/zinc/48/85/40/1068488540.db2.gz KXGSCUWAOSKJRY-HNNXBMFYSA-N 0 0 453.336 4.709 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001463665969 1068488560 /nfs/dbraw/zinc/48/85/60/1068488560.db2.gz HABKPHCNYCQMHW-QGZVFWFLSA-N 0 0 450.988 4.705 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001463670584 1068489727 /nfs/dbraw/zinc/48/97/27/1068489727.db2.gz WRBRDLOYHQHHMW-OAQYLSRUSA-N 0 0 450.645 4.813 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1Br)Oc1cc(F)cc(F)c1 ZINC001463678201 1068491101 /nfs/dbraw/zinc/49/11/01/1068491101.db2.gz SGWPILULCVOCAV-UHFFFAOYSA-N 0 0 454.720 4.517 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001463678760 1068491108 /nfs/dbraw/zinc/49/11/08/1068491108.db2.gz KJWFBIZIYDBJML-LPHOPBHVSA-N 0 0 453.377 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNS(=O)(=O)c1ccccc1C(C)(C)C ZINC001463683265 1068492287 /nfs/dbraw/zinc/49/22/87/1068492287.db2.gz HRVACGXXCITNIX-NRFANRHFSA-N 0 0 458.624 4.797 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c1 ZINC001463682347 1068492323 /nfs/dbraw/zinc/49/23/23/1068492323.db2.gz UGFRRFRRNVKLME-MJGOQNOKSA-N 0 0 457.036 4.875 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccccc1F)c1ccc(Br)cc1 ZINC001463685670 1068493577 /nfs/dbraw/zinc/49/35/77/1068493577.db2.gz VUECEMUGWGNVTL-OAQYLSRUSA-N 0 0 451.336 4.645 20 0 JJADRN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463685910 1068493670 /nfs/dbraw/zinc/49/36/70/1068493670.db2.gz OOYSIKDJFZJRAY-VJBMBRPKSA-N 0 0 476.621 4.643 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(CC)c(Cl)c3)CC2)c1 ZINC001463688007 1068494155 /nfs/dbraw/zinc/49/41/55/1068494155.db2.gz NRFHJKZBYKTJOH-UHFFFAOYSA-N 0 0 455.407 4.659 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@](C)(c3ccccc3)CC2)c1 ZINC001463688284 1068494884 /nfs/dbraw/zinc/49/48/84/1068494884.db2.gz IGUAKAPNRHUWOL-OAQYLSRUSA-N 0 0 455.498 4.625 20 0 JJADRN Cc1nc2cc(CNS(=O)(=O)c3ccc(Br)cc3Cl)ccc2n1C1CC1 ZINC001463689462 1068494919 /nfs/dbraw/zinc/49/49/19/1068494919.db2.gz CTFYGEALTAIKGO-UHFFFAOYSA-N 0 0 454.777 4.574 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccccc3F)ccc2C)cc1 ZINC001463692857 1068495948 /nfs/dbraw/zinc/49/59/48/1068495948.db2.gz GUXDONUXNMHPMQ-UHFFFAOYSA-N 0 0 456.539 4.905 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(C)c1 ZINC001463693223 1068496025 /nfs/dbraw/zinc/49/60/25/1068496025.db2.gz CPMKHFZRYXMJAD-NRFANRHFSA-N 0 0 457.514 4.859 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc(F)c1F ZINC001463695206 1068496832 /nfs/dbraw/zinc/49/68/32/1068496832.db2.gz RSISKEFQBHKRPX-APWZRJJASA-N 0 0 457.926 4.800 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001463701923 1068499894 /nfs/dbraw/zinc/49/98/94/1068499894.db2.gz WGXOVWLFISRZEP-HKBOAZHASA-N 0 0 457.489 4.788 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001463701921 1068499905 /nfs/dbraw/zinc/49/99/05/1068499905.db2.gz WGXOVWLFISRZEP-HBMCJLEFSA-N 0 0 457.489 4.788 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)c1 ZINC001463701996 1068499912 /nfs/dbraw/zinc/49/99/12/1068499912.db2.gz XNPIHIYQDJOJOJ-QGZVFWFLSA-N 0 0 458.045 4.768 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)ccc1F)N1CCCC1 ZINC001463704538 1068500386 /nfs/dbraw/zinc/50/03/86/1068500386.db2.gz LDXVGTOHJBQHAL-OAQYLSRUSA-N 0 0 450.963 4.631 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001463710541 1068501908 /nfs/dbraw/zinc/50/19/08/1068501908.db2.gz LIBCVYXAAZWYFV-QZTJIDSGSA-N 0 0 452.414 4.851 20 0 JJADRN CC(C)c1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1-c1ccccc1 ZINC001463714144 1068502586 /nfs/dbraw/zinc/50/25/86/1068502586.db2.gz OIUXFGONJCWUTC-UHFFFAOYSA-N 0 0 456.512 4.973 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CCOCC1 ZINC001546141069 1068502619 /nfs/dbraw/zinc/50/26/19/1068502619.db2.gz WOCGUYQOJBNEFZ-OAHLLOKOSA-N 0 0 473.565 4.838 20 0 JJADRN Cc1ccc(CSCCNC(=O)c2ccc3[nH]cc(I)c3c2)cc1 ZINC001463719728 1068504216 /nfs/dbraw/zinc/50/42/16/1068504216.db2.gz WHRYLCUAQWMSEJ-UHFFFAOYSA-N 0 0 450.345 4.744 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC001463720733 1068504279 /nfs/dbraw/zinc/50/42/79/1068504279.db2.gz IWKBRKKGAZRRKO-DEOSSOPVSA-N 0 0 457.640 4.707 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)c(Br)c2)cc1Cl ZINC001463723237 1068504747 /nfs/dbraw/zinc/50/47/47/1068504747.db2.gz JYVGYGZZSJPLHO-UHFFFAOYSA-N 0 0 455.113 4.702 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1ccc2c(c1)OCCO2 ZINC001463724930 1068505329 /nfs/dbraw/zinc/50/53/29/1068505329.db2.gz FESUKZXIOMLMRX-HXUWFJFHSA-N 0 0 457.324 4.601 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1Cl ZINC001463723811 1068505368 /nfs/dbraw/zinc/50/53/68/1068505368.db2.gz JFARZESQTOUVPB-UHFFFAOYSA-N 0 0 459.999 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001463725688 1068505398 /nfs/dbraw/zinc/50/53/98/1068505398.db2.gz NNXPAUXHDCRQIM-DEOSSOPVSA-N 0 0 451.611 4.664 20 0 JJADRN O=S(=O)(CCc1ccccc1Br)Oc1ccc(Cl)c(Br)c1 ZINC001463724861 1068505465 /nfs/dbraw/zinc/50/54/65/1068505465.db2.gz PXLPGXZMMFOLEA-UHFFFAOYSA-N 0 0 454.567 4.816 20 0 JJADRN O=C(CSc1nc2ccccc2nc1N1CCCC1)NCCSCc1ccccc1F ZINC001463729867 1068506251 /nfs/dbraw/zinc/50/62/51/1068506251.db2.gz YYBSBFYKEIODPK-UHFFFAOYSA-N 0 0 456.612 4.511 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)c1Cl ZINC001463729006 1068506466 /nfs/dbraw/zinc/50/64/66/1068506466.db2.gz WROLWWZHCVHMEJ-AWEZNQCLSA-N 0 0 452.356 4.719 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)nc1)NCC1(c2ccccc2Br)CCCCC1 ZINC001463732166 1068507380 /nfs/dbraw/zinc/50/73/80/1068507380.db2.gz NGGPWHRCORGFNW-UHFFFAOYSA-N 0 0 457.821 4.819 20 0 JJADRN Cn1nc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1C(F)F ZINC001463736738 1068507854 /nfs/dbraw/zinc/50/78/54/1068507854.db2.gz MQEJCDSTUARNIQ-UHFFFAOYSA-N 0 0 450.942 4.698 20 0 JJADRN COc1ccccc1/C=C(\C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC001463737157 1068508092 /nfs/dbraw/zinc/50/80/92/1068508092.db2.gz PILGQDLAZCDIII-QOMWVZHYSA-N 0 0 456.586 4.897 20 0 JJADRN C[C@](O)(C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1)c1ccc(F)cc1 ZINC001463738973 1068508768 /nfs/dbraw/zinc/50/87/68/1068508768.db2.gz XPZHEUABQDQJRX-XMMPIXPASA-N 0 0 458.986 4.760 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001463744209 1068510107 /nfs/dbraw/zinc/51/01/07/1068510107.db2.gz OBAOSXMWZJURHM-XZOQPEGZSA-N 0 0 454.567 4.503 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC(n2cc(Cl)cn2)CC1)C1CCCCCC1 ZINC001546141393 1068512387 /nfs/dbraw/zinc/51/23/87/1068512387.db2.gz GOIQDROFLUVPKB-FQEVSTJZSA-N 0 0 453.027 4.811 20 0 JJADRN O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001463750605 1068512464 /nfs/dbraw/zinc/51/24/64/1068512464.db2.gz ZRZRVMQMEQMZKU-UHFFFAOYSA-N 0 0 459.540 4.854 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001463751585 1068512610 /nfs/dbraw/zinc/51/26/10/1068512610.db2.gz ZXAAEGXVDPEWLS-CEXWTWQISA-N 0 0 472.655 4.585 20 0 JJADRN C[C@H]1CCc2nc(NC(=O)C3CC4(C3)C[C@@H](NC(=O)OC(C)(C)C)CCS4)sc2C1 ZINC001463753564 1068513639 /nfs/dbraw/zinc/51/36/39/1068513639.db2.gz LSYSICSJXIORBO-XCARKKJVSA-N 0 0 451.658 4.776 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463757562 1068514054 /nfs/dbraw/zinc/51/40/54/1068514054.db2.gz DMGVOQIWMICQCB-SJCJKPOMSA-N 0 0 453.404 4.875 20 0 JJADRN O=S(=O)(NC/C=C/c1ccc(Br)cc1)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001463763255 1068516485 /nfs/dbraw/zinc/51/64/85/1068516485.db2.gz RQIIBENUUNEVKG-OWOJBTEDSA-N 0 0 458.736 4.608 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1 ZINC001463767177 1068517831 /nfs/dbraw/zinc/51/78/31/1068517831.db2.gz LMXBHGOCNLLLGV-LJQANCHMSA-N 0 0 450.645 4.975 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1 ZINC001463768858 1068518109 /nfs/dbraw/zinc/51/81/09/1068518109.db2.gz SKUYVQXYNGVMJH-HNNXBMFYSA-N 0 0 450.276 4.703 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC001463770207 1068518493 /nfs/dbraw/zinc/51/84/93/1068518493.db2.gz YGMLWOOOBLOUTE-ZBFHGGJFSA-N 0 0 458.805 4.973 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001463774731 1068521079 /nfs/dbraw/zinc/52/10/79/1068521079.db2.gz KNGZRRHRQBUQGE-RTWAWAEBSA-N 0 0 450.645 4.858 20 0 JJADRN C[C@@H](OCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccccc1 ZINC001463779366 1068522147 /nfs/dbraw/zinc/52/21/47/1068522147.db2.gz SZWGGQSEVMJZDU-MRXNPFEDSA-N 0 0 454.473 4.820 20 0 JJADRN CC(=O)Nc1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC001463778972 1068522173 /nfs/dbraw/zinc/52/21/73/1068522173.db2.gz DRDCTAYBKDRAJO-UHFFFAOYSA-N 0 0 451.319 4.746 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1cnc2ccccc2c1 ZINC001463783289 1068523136 /nfs/dbraw/zinc/52/31/36/1068523136.db2.gz JAFSXOICSLNTST-QFIPXVFZSA-N 0 0 458.027 4.809 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1ccc(C)cc1 ZINC001463787331 1068524137 /nfs/dbraw/zinc/52/41/37/1068524137.db2.gz ZKBDZYOTNNRKEW-GOSISDBHSA-N 0 0 458.440 4.582 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1ccc(C)cc1 ZINC001463787339 1068524304 /nfs/dbraw/zinc/52/43/04/1068524304.db2.gz ZKBDZYOTNNRKEW-SFHVURJKSA-N 0 0 458.440 4.582 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1C ZINC001463789881 1068524811 /nfs/dbraw/zinc/52/48/11/1068524811.db2.gz GYSYFBJWLUCBHT-LJQANCHMSA-N 0 0 457.514 4.872 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001463789185 1068524827 /nfs/dbraw/zinc/52/48/27/1068524827.db2.gz DEAKPOKSZROKDV-QGZVFWFLSA-N 0 0 450.732 4.878 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001463791995 1068525826 /nfs/dbraw/zinc/52/58/26/1068525826.db2.gz VMMSQZRDGFMLOD-RTWAWAEBSA-N 0 0 450.645 4.720 20 0 JJADRN CCNC(=O)N1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001463794250 1068526543 /nfs/dbraw/zinc/52/65/43/1068526543.db2.gz GOMTUEYJPQCBEL-LJQANCHMSA-N 0 0 452.407 4.701 20 0 JJADRN C[C@@H](CN([C@@H](C)CO)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccccc1 ZINC001463795482 1068527065 /nfs/dbraw/zinc/52/70/65/1068527065.db2.gz GOIGLLNAODOLEQ-PMACEKPBSA-N 0 0 457.567 4.580 20 0 JJADRN Cc1ccc(C2(CNS(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)CCCC2)c(C)c1 ZINC001463796231 1068527386 /nfs/dbraw/zinc/52/73/86/1068527386.db2.gz KZFDZCVMSUVQGN-UHFFFAOYSA-N 0 0 454.514 4.595 20 0 JJADRN CSCC[C@@H](NC(=O)c1cc(Cl)c(C)cc1Br)c1nnc2ccccn21 ZINC001463800155 1068529100 /nfs/dbraw/zinc/52/91/00/1068529100.db2.gz NPTOBKMFCAYANK-OAHLLOKOSA-N 0 0 453.793 4.678 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N[C@@H](C)c1nccn1-c1ccccc1 ZINC001463804362 1068530599 /nfs/dbraw/zinc/53/05/99/1068530599.db2.gz KCPOPAAFHZWKOY-ZDUSSCGKSA-N 0 0 454.777 4.636 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001463802656 1068530623 /nfs/dbraw/zinc/53/06/23/1068530623.db2.gz HHIPODABFTZBSP-KXBFYZLASA-N 0 0 458.805 4.545 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463804236 1068531296 /nfs/dbraw/zinc/53/12/96/1068531296.db2.gz CEHYFKMJZGIQMK-UHFFFAOYSA-N 0 0 455.318 4.663 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001463808540 1068532172 /nfs/dbraw/zinc/53/21/72/1068532172.db2.gz NPMBYYAOVUFAJO-IBGZPJMESA-N 0 0 456.391 4.874 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1C ZINC001463810730 1068533215 /nfs/dbraw/zinc/53/32/15/1068533215.db2.gz VVABGMHQLYFJJB-WMZOPIPTSA-N 0 0 458.443 4.570 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCOc2c(Cl)cc(Br)cc21 ZINC001463817476 1068534491 /nfs/dbraw/zinc/53/44/91/1068534491.db2.gz JKIGNDBXUDUEGN-UHFFFAOYSA-N 0 0 457.560 4.997 20 0 JJADRN Cc1ccc(NC(=O)C[C@H]2CSCCS2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463826000 1068537671 /nfs/dbraw/zinc/53/76/71/1068537671.db2.gz NKYLZKQXOUVKGT-HNNXBMFYSA-N 0 0 457.042 4.626 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825768 1068537689 /nfs/dbraw/zinc/53/76/89/1068537689.db2.gz KEGVRBXHCWMANR-CRAIPNDOSA-N 0 0 450.988 4.983 20 0 JJADRN O=S(=O)(NCc1ccc(C2CC2)cc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463825750 1068537761 /nfs/dbraw/zinc/53/77/61/1068537761.db2.gz KXFCHSKOQYOJGV-UHFFFAOYSA-N 0 0 452.267 4.963 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001546142033 1068538158 /nfs/dbraw/zinc/53/81/58/1068538158.db2.gz BLXOXRGEFURLCI-MOPGFXCFSA-N 0 0 461.651 4.587 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001546142036 1068538214 /nfs/dbraw/zinc/53/82/14/1068538214.db2.gz BLXOXRGEFURLCI-RTBURBONSA-N 0 0 461.651 4.587 20 0 JJADRN CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C1 ZINC001463826647 1068538811 /nfs/dbraw/zinc/53/88/11/1068538811.db2.gz URJODXWLAZFNHW-WMZOPIPTSA-N 0 0 450.988 4.983 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c(F)c1Cl ZINC001463827170 1068538818 /nfs/dbraw/zinc/53/88/18/1068538818.db2.gz FYJSVPFRAMOQRF-HXUWFJFHSA-N 0 0 454.926 4.883 20 0 JJADRN COc1ccc(NC(=O)Cc2c(F)ccc(Br)c2F)cc1OCC(F)(F)F ZINC001463833681 1068541139 /nfs/dbraw/zinc/54/11/39/1068541139.db2.gz HEUFEXNSYXUQPU-UHFFFAOYSA-N 0 0 454.189 4.858 20 0 JJADRN COc1ccc(NC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OCC(F)(F)F ZINC001463833273 1068541249 /nfs/dbraw/zinc/54/12/49/1068541249.db2.gz DPSVCZXRDNDUPK-VFNWGFHPSA-N 0 0 458.477 4.612 20 0 JJADRN Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001463836004 1068541645 /nfs/dbraw/zinc/54/16/45/1068541645.db2.gz OBYIDIRWFOOPEH-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(NC(=O)CCCC(=O)C(C)(C)C)cc2)c1C(F)(F)F ZINC001463837906 1068542358 /nfs/dbraw/zinc/54/23/58/1068542358.db2.gz ACKPOBMIRJPUJE-UHFFFAOYSA-N 0 0 453.461 4.792 20 0 JJADRN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4ccc(N(C)C)c(C)c4)cc3[nH]c2=S)c1C ZINC001463838767 1068542950 /nfs/dbraw/zinc/54/29/50/1068542950.db2.gz ASAFWAMLDGBSIB-UHFFFAOYSA-N 0 0 458.587 4.918 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC001463838601 1068543003 /nfs/dbraw/zinc/54/30/03/1068543003.db2.gz PXDAKFLBSLOAFY-KRWDZBQOSA-N 0 0 453.812 4.621 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463841276 1068544158 /nfs/dbraw/zinc/54/41/58/1068544158.db2.gz GFKMMXDDHSMVDW-HKUYNNGSSA-N 0 0 457.036 4.839 20 0 JJADRN C[C@H]1C[C@H]1c1ccc(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)o1 ZINC001463845057 1068546035 /nfs/dbraw/zinc/54/60/35/1068546035.db2.gz YZBRUKDHVANTSC-OXJNMPFZSA-N 0 0 457.523 4.905 20 0 JJADRN COc1cc(NC(=O)c2cc3c(Cl)cccc3nc2C)c(C(=O)N2CCCC2)cc1OC ZINC001463846315 1068546467 /nfs/dbraw/zinc/54/64/67/1068546467.db2.gz OPHXHDZLJZDQID-UHFFFAOYSA-N 0 0 453.926 4.702 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)c2cc(Br)c3ncc(C=O)n3c2)cc1 ZINC001463848281 1068547256 /nfs/dbraw/zinc/54/72/56/1068547256.db2.gz QAHFNSPGBYMYKN-HXUWFJFHSA-N 0 0 456.340 4.675 20 0 JJADRN O=C(NCCCn1ccc2ccccc21)c1c(F)ccc(I)c1Cl ZINC001463847772 1068547282 /nfs/dbraw/zinc/54/72/82/1068547282.db2.gz BYNPTDWJHSUQBV-UHFFFAOYSA-N 0 0 456.686 4.859 20 0 JJADRN COc1cc(NC(=O)c2cccc(SC(F)(F)F)c2)c(C(=O)N2CCCC2)cc1OC ZINC001463849199 1068547551 /nfs/dbraw/zinc/54/75/51/1068547551.db2.gz XSLSAGYFFFULBM-UHFFFAOYSA-N 0 0 454.470 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463855486 1068548248 /nfs/dbraw/zinc/54/82/48/1068548248.db2.gz ANOUFSBWGWBHQB-JTHBVZDNSA-N 0 0 452.599 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001463852137 1068548316 /nfs/dbraw/zinc/54/83/16/1068548316.db2.gz MULNMNRZXLGGAU-OAQYLSRUSA-N 0 0 455.530 4.941 20 0 JJADRN O=S(=O)(c1ccc(-c2ccc(Br)cc2)cc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001463854691 1068548341 /nfs/dbraw/zinc/54/83/41/1068548341.db2.gz QVNHZLBLJWYQSP-FCHUYYIVSA-N 0 0 464.425 4.678 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc12 ZINC001463852254 1068548349 /nfs/dbraw/zinc/54/83/49/1068548349.db2.gz ZPRRXSJTTPJPDC-HXUWFJFHSA-N 0 0 457.514 4.608 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C(C)(C)C1(C)C ZINC001463856721 1068548679 /nfs/dbraw/zinc/54/86/79/1068548679.db2.gz DTEDJQCXBAKYBJ-HXUWFJFHSA-N 0 0 451.611 4.819 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 ZINC001463860242 1068549150 /nfs/dbraw/zinc/54/91/50/1068549150.db2.gz PCIXARDFLWCTMP-UHFFFAOYSA-N 0 0 454.372 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001463866552 1068550881 /nfs/dbraw/zinc/55/08/81/1068550881.db2.gz HIHBSDIFYQSKNJ-HOJAQTOUSA-N 0 0 457.036 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001463866697 1068550973 /nfs/dbraw/zinc/55/09/73/1068550973.db2.gz HIHBSDIFYQSKNJ-SXLOBPIMSA-N 0 0 457.036 4.685 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001463871464 1068551987 /nfs/dbraw/zinc/55/19/87/1068551987.db2.gz IMMQXTUOWBAUNO-BMGDILEWSA-N 0 0 450.988 4.558 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)ccc1N1CCCC1=O ZINC001463873048 1068552409 /nfs/dbraw/zinc/55/24/09/1068552409.db2.gz UILJVKDALMXZOL-UHFFFAOYSA-N 0 0 455.440 4.927 20 0 JJADRN O=C(CN1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)CC1)Nc1ccccc1 ZINC001463879896 1068554530 /nfs/dbraw/zinc/55/45/30/1068554530.db2.gz KJSPTICTHYCWSW-UHFFFAOYSA-N 0 0 454.014 4.616 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC001463888213 1068556059 /nfs/dbraw/zinc/55/60/59/1068556059.db2.gz IRZBWXXXYXSUNV-NRFANRHFSA-N 0 0 456.530 4.621 20 0 JJADRN CCc1cccc(S(=O)(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 ZINC001463887233 1068556088 /nfs/dbraw/zinc/55/60/88/1068556088.db2.gz MDERPTXTACCLIO-RXFWQSSRSA-N 0 0 453.604 4.613 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)n[nH]2)c1C ZINC001463886973 1068556231 /nfs/dbraw/zinc/55/62/31/1068556231.db2.gz NGTUQZYIWUYVCC-CQSZACIVSA-N 0 0 456.978 4.603 20 0 JJADRN CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CCCC1 ZINC001546142508 1068557120 /nfs/dbraw/zinc/55/71/20/1068557120.db2.gz LPCAULLKVJROGE-AEFFLSMTSA-N 0 0 466.598 4.626 20 0 JJADRN CCC1(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)CCC1 ZINC001546142564 1068559890 /nfs/dbraw/zinc/55/98/90/1068559890.db2.gz NEHSWOYDPJUWHL-KRWDZBQOSA-N 0 0 450.530 4.609 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c1Br ZINC001463906557 1068561037 /nfs/dbraw/zinc/56/10/37/1068561037.db2.gz LJYLJEPTGFTRMJ-CQSZACIVSA-N 0 0 450.370 4.801 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1 ZINC001463904712 1068561072 /nfs/dbraw/zinc/56/10/72/1068561072.db2.gz WWCNAADPSPYSFP-UHFFFAOYSA-N 0 0 457.354 4.826 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC001463911904 1068562830 /nfs/dbraw/zinc/56/28/30/1068562830.db2.gz GIVYPKVQULWDKV-QHCPKHFHSA-N 0 0 455.480 4.757 20 0 JJADRN CCCc1ccc([C@H](NC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001463912430 1068563421 /nfs/dbraw/zinc/56/34/21/1068563421.db2.gz PHIWAJWITNYAGI-RXVVDRJESA-N 0 0 457.596 4.576 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001463912431 1068563435 /nfs/dbraw/zinc/56/34/35/1068563435.db2.gz PHIWAJWITNYAGI-WIYYLYMNSA-N 0 0 457.596 4.576 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 ZINC001463914142 1068564146 /nfs/dbraw/zinc/56/41/46/1068564146.db2.gz KGEVBSCEJPHMCT-OAHLLOKOSA-N 0 0 455.942 4.645 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC001463919044 1068565459 /nfs/dbraw/zinc/56/54/59/1068565459.db2.gz KVOCZGMJQICROX-HSZRJFAPSA-N 0 0 450.441 4.670 20 0 JJADRN O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H]1Cc1ccccc1Br ZINC001463921350 1068566606 /nfs/dbraw/zinc/56/66/06/1068566606.db2.gz SPBSWNBGOHUAMV-ZDUSSCGKSA-N 0 0 450.185 4.547 20 0 JJADRN COc1ccc([C@H](CNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)N2CCOCC2)cc1OC ZINC001463923233 1068566686 /nfs/dbraw/zinc/56/66/86/1068566686.db2.gz DRXJAKLUYGPZQI-YKSBVNFPSA-N 0 0 454.611 4.511 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C2(C3CCCCC3)CCCCC2)N2CCOCC2)cc1OC ZINC001463925857 1068567188 /nfs/dbraw/zinc/56/71/88/1068567188.db2.gz AZCVPXCVSYHGGT-HSZRJFAPSA-N 0 0 458.643 4.724 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2cccc(NC(=O)NC)c2)cc1Br ZINC001463925935 1068567224 /nfs/dbraw/zinc/56/72/24/1068567224.db2.gz UOQODNCJQPVGFG-UHFFFAOYSA-N 0 0 455.150 4.778 20 0 JJADRN COc1cccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)c1OC ZINC001463927139 1068567581 /nfs/dbraw/zinc/56/75/81/1068567581.db2.gz VEDFZIACOVCUDY-UHFFFAOYSA-N 0 0 454.386 4.604 20 0 JJADRN COc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1O ZINC001463926630 1068567661 /nfs/dbraw/zinc/56/76/61/1068567661.db2.gz YNDUEDPPHFMOFD-PMDNVAFQSA-N 0 0 451.544 4.667 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)c1 ZINC001463928607 1068568050 /nfs/dbraw/zinc/56/80/50/1068568050.db2.gz XUJROJAKNIKKBE-UHFFFAOYSA-N 0 0 451.636 4.959 20 0 JJADRN O=S(=O)(c1c(Br)cc(F)cc1Br)N1CC[C@H](C2CCCC2)C1 ZINC001463928866 1068568234 /nfs/dbraw/zinc/56/82/34/1068568234.db2.gz JRPFGRZAKQUXCI-NSHDSACASA-N 0 0 455.187 4.552 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC001463930852 1068568702 /nfs/dbraw/zinc/56/87/02/1068568702.db2.gz ZEUSBVKAVIIGHD-UHFFFAOYSA-N 0 0 450.366 4.903 20 0 JJADRN O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)cc1 ZINC001463930599 1068568741 /nfs/dbraw/zinc/56/87/41/1068568741.db2.gz YAMYRIVTHPVGKL-QHCPKHFHSA-N 0 0 450.514 4.734 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2nnc(C(C)C)s2)c2c[nH]c3ccccc32)c1OC ZINC001463931838 1068569029 /nfs/dbraw/zinc/56/90/29/1068569029.db2.gz KTYJTLZUSNIZMI-GOSISDBHSA-N 0 0 450.564 4.722 20 0 JJADRN COc1ccc([C@@H](CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463932568 1068569171 /nfs/dbraw/zinc/56/91/71/1068569171.db2.gz PCUULASFLLSVKY-LAUBAEHRSA-N 0 0 451.567 4.585 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC001546142770 1068569242 /nfs/dbraw/zinc/56/92/42/1068569242.db2.gz QOHDHXVHDMWFAA-QGZVFWFLSA-N 0 0 460.644 4.738 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)cs2)cc1 ZINC001463933856 1068569559 /nfs/dbraw/zinc/56/95/59/1068569559.db2.gz DAGUYTYYWRWTIY-HXUWFJFHSA-N 0 0 450.564 4.595 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1 ZINC001463933534 1068569755 /nfs/dbraw/zinc/56/97/55/1068569755.db2.gz CEPVZHAAKOKYAT-UHFFFAOYSA-N 0 0 452.576 4.955 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)NC(C)(C)c1cc(Cl)ccc1OC ZINC001463934692 1068570117 /nfs/dbraw/zinc/57/01/17/1068570117.db2.gz YWZVUQWQWKKIHB-UHFFFAOYSA-N 0 0 453.969 4.564 20 0 JJADRN CC1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001463935131 1068570211 /nfs/dbraw/zinc/57/02/11/1068570211.db2.gz ISQLOAVEDCCMTF-QHCPKHFHSA-N 0 0 456.608 4.591 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001463937035 1068570772 /nfs/dbraw/zinc/57/07/72/1068570772.db2.gz QPHJLWPFGQMZCE-RHSMWYFYSA-N 0 0 456.593 4.716 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCOC2)CCCC1 ZINC001546142852 1068571604 /nfs/dbraw/zinc/57/16/04/1068571604.db2.gz SIYJTJKQMWJYQO-FQEVSTJZSA-N 0 0 461.651 4.588 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)c1 ZINC001463943524 1068571617 /nfs/dbraw/zinc/57/16/17/1068571617.db2.gz WIUHJSHRVVECTO-UHFFFAOYSA-N 0 0 450.560 4.840 20 0 JJADRN CCC(CC)(C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001463942873 1068571818 /nfs/dbraw/zinc/57/18/18/1068571818.db2.gz PHQGHARKWRLIBC-UHFFFAOYSA-N 0 0 456.652 4.511 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)C1CC(c2ccc(F)cc2)C1 ZINC001463947718 1068572175 /nfs/dbraw/zinc/57/21/75/1068572175.db2.gz GLNSUCRAMQOPPH-RGVLZGJSSA-N 0 0 458.942 4.825 20 0 JJADRN O=S(=O)(Oc1cccc2c1CCC2)c1c(Br)cc(F)cc1Br ZINC001463945743 1068572214 /nfs/dbraw/zinc/57/22/14/1068572214.db2.gz MIOJYIJYKDPVCZ-UHFFFAOYSA-N 0 0 450.123 4.607 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC001463948720 1068572681 /nfs/dbraw/zinc/57/26/81/1068572681.db2.gz FZYPLNLOBQYLDW-UHFFFAOYSA-N 0 0 459.775 4.559 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@H]1CCSc2ccccc21 ZINC001463948875 1068572767 /nfs/dbraw/zinc/57/27/67/1068572767.db2.gz HGJQJXWLEWKBNJ-AMRJIULGSA-N 0 0 458.992 4.772 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463948908 1068572784 /nfs/dbraw/zinc/57/27/84/1068572784.db2.gz HHLFGFPUDAFELO-QIYXJHPLSA-N 0 0 458.967 4.659 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccoc2)CCOCC1 ZINC001546142910 1068573342 /nfs/dbraw/zinc/57/33/42/1068573342.db2.gz UTNAIXMOJPQBOG-UHFFFAOYSA-N 0 0 487.645 4.829 20 0 JJADRN Cc1csc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)n1 ZINC001463951352 1068573393 /nfs/dbraw/zinc/57/33/93/1068573393.db2.gz YHJRDVYWBWYYAA-UHFFFAOYSA-N 0 0 450.820 4.874 20 0 JJADRN CCc1ccccc1OCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463952772 1068573748 /nfs/dbraw/zinc/57/37/48/1068573748.db2.gz QKKKKKANQJYOPD-HMMYKYKNSA-N 0 0 458.967 4.524 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001463953662 1068573868 /nfs/dbraw/zinc/57/38/68/1068573868.db2.gz VZUNCXBGTKXOGL-DWACAAAGSA-N 0 0 457.393 4.638 20 0 JJADRN CCc1ccccc1OCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463952764 1068573894 /nfs/dbraw/zinc/57/38/94/1068573894.db2.gz QKKKKKANQJYOPD-HKWRFOASSA-N 0 0 458.967 4.524 20 0 JJADRN CC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(OC)cc1 ZINC001463954610 1068574267 /nfs/dbraw/zinc/57/42/67/1068574267.db2.gz WIISYPBBTBMLLF-YFQSIASUSA-N 0 0 458.967 4.695 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](C3CCC3)C3CCCCC3)cc2c1C ZINC001463954401 1068574318 /nfs/dbraw/zinc/57/43/18/1068574318.db2.gz IXZGAKPYFCPEHP-LJQANCHMSA-N 0 0 450.626 4.809 20 0 JJADRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463954776 1068574695 /nfs/dbraw/zinc/57/46/95/1068574695.db2.gz XNIJLAWLKKSADN-CXQWBTLCSA-N 0 0 454.926 4.708 20 0 JJADRN Cc1ccc(OCCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC001463955331 1068574942 /nfs/dbraw/zinc/57/49/42/1068574942.db2.gz ZVUQGBZYQIGFPY-XSFVSMFZSA-N 0 0 458.967 4.578 20 0 JJADRN O=C(CNC(=O)Cc1cccc2ccccc21)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC001463956756 1068575209 /nfs/dbraw/zinc/57/52/09/1068575209.db2.gz NMCQCYSEWCUURO-UHFFFAOYSA-N 0 0 450.844 4.732 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)ccc1Br ZINC001463959931 1068575467 /nfs/dbraw/zinc/57/54/67/1068575467.db2.gz DHOKKQOHSMKSKH-RBUKOAKNSA-N 0 0 480.424 4.504 20 0 JJADRN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1O ZINC001463966046 1068577063 /nfs/dbraw/zinc/57/70/63/1068577063.db2.gz OGLJZJAEVSZCEX-JOCHJYFZSA-N 0 0 455.436 4.744 20 0 JJADRN O=C(CN(Cc1ccco1)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccccc1Br ZINC001463968332 1068577201 /nfs/dbraw/zinc/57/72/01/1068577201.db2.gz OWEYAAHZQXQFMV-IBGZPJMESA-N 0 0 459.315 4.590 20 0 JJADRN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001463966646 1068577218 /nfs/dbraw/zinc/57/72/18/1068577218.db2.gz NXUVWAQTRAJUNA-UHFFFAOYSA-N 0 0 451.836 4.697 20 0 JJADRN O=C(CN(Cc1ccco1)C(=O)[C@H](F)Cc1ccccc1)Nc1ccccc1Br ZINC001463968333 1068577321 /nfs/dbraw/zinc/57/73/21/1068577321.db2.gz OWEYAAHZQXQFMV-LJQANCHMSA-N 0 0 459.315 4.590 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001463968293 1068577373 /nfs/dbraw/zinc/57/73/73/1068577373.db2.gz BAPVCVVZARBPIT-DGMFMNFASA-N 0 0 453.391 4.972 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001546143096 1068578254 /nfs/dbraw/zinc/57/82/54/1068578254.db2.gz YIWYPIAZHNYOJJ-GUDVDZBRSA-N 0 0 463.692 4.913 20 0 JJADRN CCOc1cc(CN(C)C(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)ccc1OC(F)F ZINC001463973662 1068579332 /nfs/dbraw/zinc/57/93/32/1068579332.db2.gz CCCWZGKTHLPGHV-IBGZPJMESA-N 0 0 450.526 4.804 20 0 JJADRN O=S(=O)(c1cccc2ccncc21)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001463975018 1068579611 /nfs/dbraw/zinc/57/96/11/1068579611.db2.gz HUPBQLCVPILECC-UHFFFAOYSA-N 0 0 456.782 4.706 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C1CCC(F)(F)CC1 ZINC001463973867 1068579836 /nfs/dbraw/zinc/57/98/36/1068579836.db2.gz AJCYHGBTBWUARU-VIFPVBQESA-N 0 0 450.267 4.960 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc(C)c1OCc1ccccc1 ZINC001463975191 1068579870 /nfs/dbraw/zinc/57/98/70/1068579870.db2.gz HNZBYVKBGCJUEG-UYAOXDASSA-N 0 0 457.514 4.661 20 0 JJADRN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001463978307 1068580476 /nfs/dbraw/zinc/58/04/76/1068580476.db2.gz VDSFQTFYTOQBNU-SNVBAGLBSA-N 0 0 453.741 4.687 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)OCc2cccc(Cl)c2)C1 ZINC001463980710 1068580931 /nfs/dbraw/zinc/58/09/31/1068580931.db2.gz YGXGLSXEDYHHBG-AQNXPRMDSA-N 0 0 452.979 4.903 20 0 JJADRN O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001463984818 1068581173 /nfs/dbraw/zinc/58/11/73/1068581173.db2.gz IRBPQHDFBDKGLC-MGPQQGTHSA-N 0 0 462.818 4.847 20 0 JJADRN O=C(NCc1cc(-c2ccccc2)no1)c1c(Cl)ccc(I)c1F ZINC001463984884 1068581406 /nfs/dbraw/zinc/58/14/06/1068581406.db2.gz JYQMXLJTOFHLLS-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001463987171 1068581463 /nfs/dbraw/zinc/58/14/63/1068581463.db2.gz URRNVTIEEGKMQL-KZNAEPCWSA-N 0 0 456.789 4.786 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(Br)c2)c2ccccc2)cc1 ZINC001463987227 1068581769 /nfs/dbraw/zinc/58/17/69/1068581769.db2.gz UWQDXJTXMPQULQ-NRFANRHFSA-N 0 0 453.336 4.876 20 0 JJADRN O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001463987603 1068581783 /nfs/dbraw/zinc/58/17/83/1068581783.db2.gz YAIDGFGRLHSFID-KZNAEPCWSA-N 0 0 456.789 4.786 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC001463989302 1068581903 /nfs/dbraw/zinc/58/19/03/1068581903.db2.gz OEKDKPWBAIIJKW-QHCPKHFHSA-N 0 0 450.579 4.634 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001463994597 1068583030 /nfs/dbraw/zinc/58/30/30/1068583030.db2.gz JYCGYJIFNMIBLJ-NRFANRHFSA-N 0 0 454.567 4.587 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCOc2cc(F)c(F)cc21 ZINC001463991985 1068583236 /nfs/dbraw/zinc/58/32/36/1068583236.db2.gz IGLIQEBJNLNRTO-UHFFFAOYSA-N 0 0 459.095 4.622 20 0 JJADRN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(NCc2ccsc2)cc1 ZINC001463998840 1068584218 /nfs/dbraw/zinc/58/42/18/1068584218.db2.gz VSMBLMVPZNSPTN-UHFFFAOYSA-N 0 0 458.381 4.833 20 0 JJADRN COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001464000254 1068584892 /nfs/dbraw/zinc/58/48/92/1068584892.db2.gz CTOLJQREKCHKIY-UHFFFAOYSA-N 0 0 453.539 4.533 20 0 JJADRN O=S(=O)(NCc1cccc(Oc2ccccc2F)c1)c1ccnn1CCc1ccccc1 ZINC001464003297 1068585666 /nfs/dbraw/zinc/58/56/66/1068585666.db2.gz QRXDOFOEYIVKMH-UHFFFAOYSA-N 0 0 451.523 4.536 20 0 JJADRN O=S(=O)(NCc1cccc(Oc2ccccc2F)c1)c1ccc(Br)c(F)c1 ZINC001464003266 1068585712 /nfs/dbraw/zinc/58/57/12/1068585712.db2.gz QFMMOMVGWLBYSU-UHFFFAOYSA-N 0 0 454.292 4.998 20 0 JJADRN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(I)c(O)c1 ZINC001464003870 1068585967 /nfs/dbraw/zinc/58/59/67/1068585967.db2.gz LBHJZVHKOZJOBI-KRWDZBQOSA-N 0 0 453.276 4.717 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001464005976 1068586639 /nfs/dbraw/zinc/58/66/39/1068586639.db2.gz GKZIQGMQYITOIC-NRFANRHFSA-N 0 0 457.514 4.592 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccccc2OC)c2ccccc2)cc1 ZINC001464004876 1068586650 /nfs/dbraw/zinc/58/66/50/1068586650.db2.gz KSWDOXIAPFHVPG-NKFKGCMQSA-N 0 0 450.560 4.563 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(F)ccc1I ZINC001464006340 1068586704 /nfs/dbraw/zinc/58/67/04/1068586704.db2.gz KOVQWMANGMRHOQ-UHFFFAOYSA-N 0 0 453.173 4.601 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001464007930 1068587213 /nfs/dbraw/zinc/58/72/13/1068587213.db2.gz MGDAMHSNSZOBTA-LSDHHAIUSA-N 0 0 458.407 4.758 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cc12 ZINC001464006468 1068587223 /nfs/dbraw/zinc/58/72/23/1068587223.db2.gz MAFUIPAGMJFIHJ-RYUDHWBXSA-N 0 0 453.395 4.588 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1)Nc1ccccc1 ZINC001464009030 1068587569 /nfs/dbraw/zinc/58/75/69/1068587569.db2.gz WUMKFYRPQPDLHX-INIZCTEOSA-N 0 0 456.518 4.905 20 0 JJADRN CC(=O)c1ccc(OS(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)c(Br)c1 ZINC001464010276 1068588230 /nfs/dbraw/zinc/58/82/30/1068588230.db2.gz NLWNIBVMBGBSGU-UHFFFAOYSA-N 0 0 450.310 4.691 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCCc2nc(Br)ccc21 ZINC001464010175 1068588286 /nfs/dbraw/zinc/58/82/86/1068588286.db2.gz NAWWFRYERCBKBG-UHFFFAOYSA-N 0 0 455.683 4.658 20 0 JJADRN C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC001464012490 1068588617 /nfs/dbraw/zinc/58/86/17/1068588617.db2.gz DGCSLMGMKOCMDZ-GMAHTHKFSA-N 0 0 454.615 4.537 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001464013201 1068588652 /nfs/dbraw/zinc/58/86/52/1068588652.db2.gz FQPYINUCPAHGID-QFIPXVFZSA-N 0 0 454.570 4.704 20 0 JJADRN C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC001464012494 1068588865 /nfs/dbraw/zinc/58/88/65/1068588865.db2.gz DGCSLMGMKOCMDZ-JTHBVZDNSA-N 0 0 454.615 4.537 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(Br)c2)CCc2ccccc21 ZINC001464015595 1068589422 /nfs/dbraw/zinc/58/94/22/1068589422.db2.gz PHJJIZZAHGIJJA-GFCCVEGCSA-N 0 0 459.203 4.562 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@@H](c4c(F)cccc4Cl)C3)s2)cs1 ZINC001464018573 1068590517 /nfs/dbraw/zinc/59/05/17/1068590517.db2.gz KXEQRGPVKRLJJY-OAHLLOKOSA-N 0 0 458.989 4.735 20 0 JJADRN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nscc1I ZINC001464018300 1068590600 /nfs/dbraw/zinc/59/06/00/1068590600.db2.gz SYCUYGAASDQROQ-OAHLLOKOSA-N 0 0 454.720 4.921 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c1 ZINC001464021516 1068591001 /nfs/dbraw/zinc/59/10/01/1068591001.db2.gz CLJMQKMTRKNIEJ-UHFFFAOYSA-N 0 0 451.169 4.516 20 0 JJADRN CN(CC1CCCCC1)C(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001464021233 1068591187 /nfs/dbraw/zinc/59/11/87/1068591187.db2.gz AFJVNWBTGUWZDV-UHFFFAOYSA-N 0 0 454.386 4.668 20 0 JJADRN COc1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc(OC)c1Br ZINC001546143665 1068591271 /nfs/dbraw/zinc/59/12/71/1068591271.db2.gz QSHMBEKOXDTJCO-UHFFFAOYSA-N 0 0 459.381 4.880 20 0 JJADRN CC(C)c1ccc2c(c1)CN(S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc3ccccc3)C1)CC2 ZINC001464026533 1068592119 /nfs/dbraw/zinc/59/21/19/1068592119.db2.gz CQQSTHOSXVHMKR-BWKNWUBXSA-N 0 0 470.635 4.593 20 0 JJADRN CCCOc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c(OC2CCCC2)c1 ZINC001464025604 1068592306 /nfs/dbraw/zinc/59/23/06/1068592306.db2.gz IYDZKMAKQJBZEZ-UHFFFAOYSA-N 0 0 450.579 4.785 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001464032807 1068594549 /nfs/dbraw/zinc/59/45/49/1068594549.db2.gz YFVAJUSNZXVXJH-UHFFFAOYSA-N 0 0 450.343 4.680 20 0 JJADRN CCSCc1ccccc1C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001464035862 1068595077 /nfs/dbraw/zinc/59/50/77/1068595077.db2.gz FNSAMSMOMYGCDX-IBGZPJMESA-N 0 0 450.608 4.817 20 0 JJADRN CO[C@@H](CS(=O)(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001464036770 1068595889 /nfs/dbraw/zinc/59/58/89/1068595889.db2.gz YLYQPKYVNVYMMI-SFTDATJTSA-N 0 0 457.514 4.700 20 0 JJADRN O=C([C@@H]1C[C@H]1c1cccc(O)c1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464038939 1068596219 /nfs/dbraw/zinc/59/62/19/1068596219.db2.gz ANKWEJVVLUXQKA-BJKOFHAPSA-N 0 0 451.950 4.749 20 0 JJADRN Cc1nc(-c2ccc([C@H](C)NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cs1 ZINC001464038701 1068596283 /nfs/dbraw/zinc/59/62/83/1068596283.db2.gz ZVUJROXUDUPQJU-OXJNMPFZSA-N 0 0 459.612 4.712 20 0 JJADRN CSCc1cccnc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464039144 1068596315 /nfs/dbraw/zinc/59/63/15/1068596315.db2.gz DFCGLVHMTWOGSO-UHFFFAOYSA-N 0 0 456.995 4.812 20 0 JJADRN Cc1nc(-c2ccc([C@H](C)NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cs1 ZINC001464038700 1068596342 /nfs/dbraw/zinc/59/63/42/1068596342.db2.gz ZVUJROXUDUPQJU-JXFKEZNVSA-N 0 0 459.612 4.712 20 0 JJADRN Cc1cccc(C)c1OCC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464040842 1068596934 /nfs/dbraw/zinc/59/69/34/1068596934.db2.gz IKCHHPBTJYRYDY-UHFFFAOYSA-N 0 0 453.966 4.936 20 0 JJADRN O=C(CCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC001464041402 1068597402 /nfs/dbraw/zinc/59/74/02/1068597402.db2.gz HLRRTYNFLZCOQY-LJAQVGFWSA-N 0 0 456.586 4.645 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)N1CCC([C@H](O)c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001464042705 1068598037 /nfs/dbraw/zinc/59/80/37/1068598037.db2.gz MXZHOCFEHDZAND-BJKOFHAPSA-N 0 0 450.579 4.633 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)N1CCC([C@H](O)c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001464042706 1068598060 /nfs/dbraw/zinc/59/80/60/1068598060.db2.gz MXZHOCFEHDZAND-DNQXCXABSA-N 0 0 450.579 4.633 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCc1ccc(-c2cccs2)cc1 ZINC001464044073 1068598571 /nfs/dbraw/zinc/59/85/71/1068598571.db2.gz RXIXGHNIAJJNNA-UHFFFAOYSA-N 0 0 450.969 4.514 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)Oc2cc(C(=O)OC(C)(C)C)ccc2F)c1 ZINC001464043747 1068598663 /nfs/dbraw/zinc/59/86/63/1068598663.db2.gz UJSFXPSJSHORBG-UHFFFAOYSA-N 0 0 450.406 4.576 20 0 JJADRN CC(C)C(=O)Nc1cccc(NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC001464047065 1068599092 /nfs/dbraw/zinc/59/90/92/1068599092.db2.gz UKSHELMKOFRXAF-UHFFFAOYSA-N 0 0 450.583 4.875 20 0 JJADRN COc1ccc(CC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1O ZINC001464047435 1068599235 /nfs/dbraw/zinc/59/92/35/1068599235.db2.gz OBMZQKMSEJRIKF-UHFFFAOYSA-N 0 0 456.995 4.670 20 0 JJADRN O=S(=O)(NC[C@@H]1CCN(c2ccccc2Cl)C1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001464050294 1068600427 /nfs/dbraw/zinc/60/04/27/1068600427.db2.gz LKWSFXPGGJTJBN-LBPRGKRZSA-N 0 0 453.313 4.817 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N2CCC(F)(F)CC2)cc1 ZINC001464053322 1068601077 /nfs/dbraw/zinc/60/10/77/1068601077.db2.gz UTRVEACTXYWXCQ-PMACEKPBSA-N 0 0 467.557 4.619 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccccc2Cl)cc1 ZINC001464055954 1068601831 /nfs/dbraw/zinc/60/18/31/1068601831.db2.gz YXLKQIKEMGFACG-HSZRJFAPSA-N 0 0 450.000 4.577 20 0 JJADRN O=C(NCC(=O)N(Cc1cc(Br)ccc1F)C1CC1)Nc1cccc(Cl)c1 ZINC001464059836 1068602202 /nfs/dbraw/zinc/60/22/02/1068602202.db2.gz YUWJIBXRWGQWSD-UHFFFAOYSA-N 0 0 454.727 4.554 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1Cl ZINC001464066363 1068603531 /nfs/dbraw/zinc/60/35/31/1068603531.db2.gz MWOVSCNRZGIAOW-UHFFFAOYSA-N 0 0 459.178 4.804 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001464072160 1068605546 /nfs/dbraw/zinc/60/55/46/1068605546.db2.gz FELRTGABIGQPSD-HSZRJFAPSA-N 0 0 459.011 4.845 20 0 JJADRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001464074339 1068606408 /nfs/dbraw/zinc/60/64/08/1068606408.db2.gz QNVWARVLZDGRIG-LLVKDONJSA-N 0 0 454.246 4.761 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001464075428 1068606461 /nfs/dbraw/zinc/60/64/61/1068606461.db2.gz YTWNUEZEMNNNOA-FCHUYYIVSA-N 0 0 454.615 4.933 20 0 JJADRN CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC001464075864 1068607002 /nfs/dbraw/zinc/60/70/02/1068607002.db2.gz UQRVGCTWWKCPLN-UHFFFAOYSA-N 0 0 454.567 4.665 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)C[C@H]4C[C@@H](C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464077208 1068607034 /nfs/dbraw/zinc/60/70/34/1068607034.db2.gz WAJLQTIGJYKFQH-FGZHOGPDSA-N 0 0 452.643 4.974 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1 ZINC001464075785 1068607098 /nfs/dbraw/zinc/60/70/98/1068607098.db2.gz XPMQDPBKNFFNEF-NHCUHLMSSA-N 0 0 459.631 4.872 20 0 JJADRN Nc1c(Cl)cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1Cl ZINC001464079723 1068607687 /nfs/dbraw/zinc/60/76/87/1068607687.db2.gz LSGYTMPGEHUJIY-JTQLQIEISA-N 0 0 458.271 4.657 20 0 JJADRN CCC(NS(=O)(=O)c1c(Br)cc(C)cc1Br)(C1CC1)C1CC1 ZINC001464078312 1068607725 /nfs/dbraw/zinc/60/77/25/1068607725.db2.gz HSLJVPAXOPYUPX-UHFFFAOYSA-N 0 0 451.224 4.767 20 0 JJADRN Nc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1Cl ZINC001464079725 1068607800 /nfs/dbraw/zinc/60/78/00/1068607800.db2.gz LSGYTMPGEHUJIY-SNVBAGLBSA-N 0 0 458.271 4.657 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)cc1Cl ZINC001464085536 1068609047 /nfs/dbraw/zinc/60/90/47/1068609047.db2.gz HTCWBMSENQNJTL-UHFFFAOYSA-N 0 0 451.995 4.798 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001546144217 1068609169 /nfs/dbraw/zinc/60/91/69/1068609169.db2.gz GPOIDQYQWONTPT-HXUWFJFHSA-N 0 0 491.583 4.691 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC001464087631 1068610436 /nfs/dbraw/zinc/61/04/36/1068610436.db2.gz QOQMOXBDDWFSKQ-CYFREDJKSA-N 0 0 451.611 4.805 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC001464087601 1068610463 /nfs/dbraw/zinc/61/04/63/1068610463.db2.gz JNLLNJHFUWPNJM-GJZGRUSLSA-N 0 0 456.568 4.890 20 0 JJADRN CCCCOc1ccc(OC)cc1NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C ZINC001464093675 1068612794 /nfs/dbraw/zinc/61/27/94/1068612794.db2.gz GSIMMYPFRKNPGK-QGZVFWFLSA-N 0 0 458.559 4.683 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)c(O)c1 ZINC001464097179 1068614002 /nfs/dbraw/zinc/61/40/02/1068614002.db2.gz PVEFLILXCNIWRK-UHFFFAOYSA-N 0 0 457.574 4.659 20 0 JJADRN CCCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 ZINC001464098276 1068614565 /nfs/dbraw/zinc/61/45/65/1068614565.db2.gz CAPRABHJLYHEGI-UHFFFAOYSA-N 0 0 454.548 4.846 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@](C)(Cc2ccccc2)C(C)C)CC1 ZINC001464101307 1068616001 /nfs/dbraw/zinc/61/60/01/1068616001.db2.gz MRJRJRKMUTZHOL-ZEQKJWHPSA-N 0 0 457.014 4.603 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1 ZINC001464104680 1068616719 /nfs/dbraw/zinc/61/67/19/1068616719.db2.gz CUNHLBUZPOGBBP-XQBPLPMBSA-N 0 0 468.660 4.958 20 0 JJADRN O=C([C@@H](CO)c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001464103165 1068616816 /nfs/dbraw/zinc/61/68/16/1068616816.db2.gz MQRYZOHGJIEEIP-QFIPXVFZSA-N 0 0 458.986 4.628 20 0 JJADRN Cc1cc(Br)c(CNS(=O)(=O)Cc2cc(C)ccc2Br)s1 ZINC001464112434 1068619422 /nfs/dbraw/zinc/61/94/22/1068619422.db2.gz PPVGAEVKIRAFLD-UHFFFAOYSA-N 0 0 453.221 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(OS(=O)(=O)c3ccc(F)c(Cl)c3)cc2CC1 ZINC001464113043 1068619521 /nfs/dbraw/zinc/61/95/21/1068619521.db2.gz MVKHOYGKPSTMMB-UHFFFAOYSA-N 0 0 455.935 4.583 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC001464115355 1068619900 /nfs/dbraw/zinc/61/99/00/1068619900.db2.gz XSBSIZRLTJFLPJ-APPDUMDISA-N 0 0 452.306 4.746 20 0 JJADRN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001464114949 1068619931 /nfs/dbraw/zinc/61/99/31/1068619931.db2.gz MTAVHFFMNDEHNW-MSOLQXFVSA-N 0 0 471.623 4.645 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c(OC)c1 ZINC001464116349 1068620622 /nfs/dbraw/zinc/62/06/22/1068620622.db2.gz SZJHNWZZUJQZHZ-ZDUSSCGKSA-N 0 0 450.354 4.659 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001464124489 1068623182 /nfs/dbraw/zinc/62/31/82/1068623182.db2.gz NGQXFQFYRIOYID-MRXNPFEDSA-N 0 0 456.605 4.615 20 0 JJADRN CCc1nc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)cn1CC1CC1 ZINC001464124735 1068623596 /nfs/dbraw/zinc/62/35/96/1068623596.db2.gz SEQQIGBJYGDHAD-NRFANRHFSA-N 0 0 455.546 4.660 20 0 JJADRN Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)n1 ZINC001464127426 1068625503 /nfs/dbraw/zinc/62/55/03/1068625503.db2.gz UCEUVLSRTSRYEW-FQEVSTJZSA-N 0 0 452.356 4.723 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001464127063 1068625516 /nfs/dbraw/zinc/62/55/16/1068625516.db2.gz GDXLRZGRTHFNGG-IBGZPJMESA-N 0 0 452.357 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC001464130289 1068626513 /nfs/dbraw/zinc/62/65/13/1068626513.db2.gz KPRMTMMMHWXXNG-NVQXNPDNSA-N 0 0 454.567 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC001464130286 1068626540 /nfs/dbraw/zinc/62/65/40/1068626540.db2.gz KPRMTMMMHWXXNG-BKMJKUGQSA-N 0 0 454.567 4.650 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001464130982 1068627284 /nfs/dbraw/zinc/62/72/84/1068627284.db2.gz NOCPYXKJFHYRDH-UAFMIMERSA-N 0 0 457.615 4.636 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001464131648 1068627749 /nfs/dbraw/zinc/62/77/49/1068627749.db2.gz RHGGNANNQFOFDG-IAGOWNOFSA-N 0 0 455.555 4.675 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)cn1 ZINC001464131393 1068627806 /nfs/dbraw/zinc/62/78/06/1068627806.db2.gz WKPHEHYYQOKWMS-HNNXBMFYSA-N 0 0 451.470 4.678 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001464134822 1068629428 /nfs/dbraw/zinc/62/94/28/1068629428.db2.gz FLYDBSYRJVOCBP-QFIPXVFZSA-N 0 0 455.027 4.630 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)s1 ZINC001464138892 1068631075 /nfs/dbraw/zinc/63/10/75/1068631075.db2.gz QFEGAKQOUHGHGK-XDHUDOTRSA-N 0 0 456.633 4.884 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC001464141714 1068632395 /nfs/dbraw/zinc/63/23/95/1068632395.db2.gz PLWJFJSMANOADC-UHFFFAOYSA-N 0 0 451.479 4.612 20 0 JJADRN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1Br ZINC001464144565 1068633102 /nfs/dbraw/zinc/63/31/02/1068633102.db2.gz FPUOFLCLSLRYNH-UHFFFAOYSA-N 0 0 454.246 4.523 20 0 JJADRN Cc1cc([C@H]2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)C2)c(O)cc1Cl ZINC001464144763 1068633159 /nfs/dbraw/zinc/63/31/59/1068633159.db2.gz BRJVSMFQFMZESX-AWEZNQCLSA-N 0 0 458.805 4.912 20 0 JJADRN Cc1cc([C@@H]2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)C2)c(O)cc1Cl ZINC001464144771 1068633182 /nfs/dbraw/zinc/63/31/82/1068633182.db2.gz BRJVSMFQFMZESX-CQSZACIVSA-N 0 0 458.805 4.912 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCC[C@@H](C3CCCCC3)C2)C1)OCc1ccccc1 ZINC001464149747 1068634395 /nfs/dbraw/zinc/63/43/95/1068634395.db2.gz VEHSTRJKHRRIBH-JRFVFWCSSA-N 0 0 462.656 4.704 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCCSc1ccc(C)cc1 ZINC001464152464 1068635029 /nfs/dbraw/zinc/63/50/29/1068635029.db2.gz NIRGZXHNARIKOF-RUZDIDTESA-N 0 0 456.608 4.578 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)cc2)n1 ZINC001464156033 1068635622 /nfs/dbraw/zinc/63/56/22/1068635622.db2.gz DLYSBOPIDSTWTB-QFIPXVFZSA-N 0 0 454.615 4.574 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N(C)Cc3csc4ccccc34)cs2)c1 ZINC001464154259 1068635758 /nfs/dbraw/zinc/63/57/58/1068635758.db2.gz XPFPNGIDYUJPHB-UHFFFAOYSA-N 0 0 451.573 4.825 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1NCc1cccnc1 ZINC001464156386 1068636384 /nfs/dbraw/zinc/63/63/84/1068636384.db2.gz BFEIWHLOXRCOPV-UHFFFAOYSA-N 0 0 458.543 4.747 20 0 JJADRN CC(C)CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC001464160213 1068638356 /nfs/dbraw/zinc/63/83/56/1068638356.db2.gz VHICOWHJYIPFJZ-UHFFFAOYSA-N 0 0 452.979 4.946 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)c2cccnc12 ZINC001464163735 1068639657 /nfs/dbraw/zinc/63/96/57/1068639657.db2.gz KTDXCQNLHPSXLZ-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001464165918 1068640275 /nfs/dbraw/zinc/64/02/75/1068640275.db2.gz MHAJZBBVOMACHJ-UHFFFAOYSA-N 0 0 458.606 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3ccnc(OCc4ccccc4)c3)cc21 ZINC001464166842 1068640947 /nfs/dbraw/zinc/64/09/47/1068640947.db2.gz NCHYKPOEANIRGT-UHFFFAOYSA-N 0 0 459.546 4.888 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001464167482 1068640992 /nfs/dbraw/zinc/64/09/92/1068640992.db2.gz MXQYHDROLAUWPR-CVEARBPZSA-N 0 0 452.823 4.509 20 0 JJADRN CCC1(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)[C@H](C)CCSC)CCOCC1 ZINC001546144520 1068641570 /nfs/dbraw/zinc/64/15/70/1068641570.db2.gz MZCRFEZAFQGYRK-WIYYLYMNSA-N 0 0 460.644 4.575 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)c2)n1 ZINC001464171485 1068642281 /nfs/dbraw/zinc/64/22/81/1068642281.db2.gz HUDGYPWWHQDEKV-GOSISDBHSA-N 0 0 456.502 4.836 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001464173249 1068642982 /nfs/dbraw/zinc/64/29/82/1068642982.db2.gz HHOTWIAYKGCDHN-UHFFFAOYSA-N 0 0 459.377 4.947 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC001464178013 1068644317 /nfs/dbraw/zinc/64/43/17/1068644317.db2.gz BEAUETWMFVBSLR-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCc2c[nH]c3c2cccc3Cl)cc1Br ZINC001464182749 1068646277 /nfs/dbraw/zinc/64/62/77/1068646277.db2.gz SRHHTBCGZBELPA-UHFFFAOYSA-N 0 0 457.777 4.504 20 0 JJADRN COc1ccc(NC(=O)c2cccc(COc3cccc(C=O)c3)c2)cc1N1CCCCC1=O ZINC001464184905 1068646962 /nfs/dbraw/zinc/64/69/62/1068646962.db2.gz BOXIIPKBDSXLCK-UHFFFAOYSA-N 0 0 458.514 4.856 20 0 JJADRN CC(C)c1ccc(Oc2cc(C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)ccn2)cc1 ZINC001464186048 1068647492 /nfs/dbraw/zinc/64/74/92/1068647492.db2.gz JSPUFGZQZCXLJA-QGZVFWFLSA-N 0 0 453.564 4.860 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC001464190315 1068648812 /nfs/dbraw/zinc/64/88/12/1068648812.db2.gz XKXOETWCMUHBSL-GOSISDBHSA-N 0 0 459.468 4.892 20 0 JJADRN C[C@H](CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC001464191478 1068650252 /nfs/dbraw/zinc/65/02/52/1068650252.db2.gz BMHXXXGFAXQCLT-IAGOWNOFSA-N 0 0 452.451 4.801 20 0 JJADRN C[C@@H](CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC001464191484 1068650314 /nfs/dbraw/zinc/65/03/14/1068650314.db2.gz BMHXXXGFAXQCLT-IRXDYDNUSA-N 0 0 452.451 4.801 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)cc1C(C)C ZINC001464193644 1068651512 /nfs/dbraw/zinc/65/15/12/1068651512.db2.gz VASNKLJQJFGLJP-QHCPKHFHSA-N 0 0 459.608 4.840 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(c2ccc(CC)cc2)CC1 ZINC001464196089 1068652171 /nfs/dbraw/zinc/65/21/71/1068652171.db2.gz RTXIOOJNUXDQLD-UHFFFAOYSA-N 0 0 452.414 4.979 20 0 JJADRN Cc1ncccc1CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 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JJADRN CCCN(C(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)c1ccccc1OC ZINC001464530052 1068773976 /nfs/dbraw/zinc/77/39/76/1068773976.db2.gz XMVUYRYQVUJWON-CJAUYULYSA-N 0 0 459.587 4.541 20 0 JJADRN COCCN(C)C(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001464531306 1068774061 /nfs/dbraw/zinc/77/40/61/1068774061.db2.gz TZQHZBUVHHZUOE-SANMLTNESA-N 0 0 458.558 4.761 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)(C)c1ccc(F)cc1F ZINC001464533939 1068774397 /nfs/dbraw/zinc/77/43/97/1068774397.db2.gz WFIHQHBKUHKULI-UHFFFAOYSA-N 0 0 454.720 4.603 20 0 JJADRN O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1[nH]ncc1C(F)(F)F ZINC001464534538 1068774534 /nfs/dbraw/zinc/77/45/34/1068774534.db2.gz CVFWZLGKMQAVAH-UHFFFAOYSA-N 0 0 459.859 4.907 20 0 JJADRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC001464537157 1068775722 /nfs/dbraw/zinc/77/57/22/1068775722.db2.gz AAKQAGLDGWIFCA-IBGZPJMESA-N 0 0 456.514 4.609 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(C(F)F)n1 ZINC001464540348 1068776841 /nfs/dbraw/zinc/77/68/41/1068776841.db2.gz KLFINTQIPOQYLI-GOSISDBHSA-N 0 0 454.562 4.728 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001464544283 1068777226 /nfs/dbraw/zinc/77/72/26/1068777226.db2.gz XNTRYTLBDCTMIF-UHFFFAOYSA-N 0 0 458.331 4.701 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c(C)n1C[C@@H]1CCCOC1 ZINC001464545542 1068777860 /nfs/dbraw/zinc/77/78/60/1068777860.db2.gz QXVAUAYDMBCWPG-AVRDEDQJSA-N 0 0 451.611 4.964 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001464545780 1068778392 /nfs/dbraw/zinc/77/83/92/1068778392.db2.gz RINICLOZEZQIFZ-RXVVDRJESA-N 0 0 457.615 4.985 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c(C)n1C[C@H]1CCCOC1 ZINC001464545568 1068778495 /nfs/dbraw/zinc/77/84/95/1068778495.db2.gz QXVAUAYDMBCWPG-XMSQKQJNSA-N 0 0 451.611 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC001464558364 1068781263 /nfs/dbraw/zinc/78/12/63/1068781263.db2.gz OCIOOPQFJHTJKL-PIZKADEWSA-N 0 0 457.796 4.922 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)CCN1C(=O)OC(C)(C)C ZINC001464565985 1068783530 /nfs/dbraw/zinc/78/35/30/1068783530.db2.gz NHRVJAVJKVYETN-TZIWHRDSSA-N 0 0 475.593 4.586 20 0 JJADRN CN(C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)OC(C)(C)C ZINC001464565939 1068783550 /nfs/dbraw/zinc/78/35/50/1068783550.db2.gz TYOULQXKUKYEKH-FQEVSTJZSA-N 0 0 456.608 4.668 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](C)c3cccc(SC(F)(F)F)c3)cc2F)c1 ZINC001464567075 1068784081 /nfs/dbraw/zinc/78/40/81/1068784081.db2.gz KBKGDULVXRWPOX-CYBMUJFWSA-N 0 0 459.490 4.971 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H](C)c3cccc(SC(F)(F)F)c3)cc2F)c1 ZINC001464567076 1068784126 /nfs/dbraw/zinc/78/41/26/1068784126.db2.gz KBKGDULVXRWPOX-ZDUSSCGKSA-N 0 0 459.490 4.971 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)ccc21 ZINC001464566935 1068784211 /nfs/dbraw/zinc/78/42/11/1068784211.db2.gz QNRIFOPOHLQNGG-UHFFFAOYSA-N 0 0 455.971 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001464568066 1068784562 /nfs/dbraw/zinc/78/45/62/1068784562.db2.gz BHFFTIZUIOFPFC-NHCUHLMSSA-N 0 0 458.990 4.920 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Br)n1 ZINC001464568922 1068785007 /nfs/dbraw/zinc/78/50/07/1068785007.db2.gz BVKSYYOFLZVAPI-IRXDYDNUSA-N 0 0 452.393 4.547 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)Cn3cc(C=O)c(-c4ccccc4)n3)c2)cc1 ZINC001464570017 1068785754 /nfs/dbraw/zinc/78/57/54/1068785754.db2.gz NOVDTGXXWYABKF-UHFFFAOYSA-N 0 0 455.514 4.727 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)[C@@H](O)c1ccc(Cl)cc1F ZINC001464573314 1068787340 /nfs/dbraw/zinc/78/73/40/1068787340.db2.gz JJWFCBDUVVJMEU-QFIPXVFZSA-N 0 0 459.304 4.894 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N(Cc1nc2ccccc2s1)C1CC1 ZINC001464575050 1068788331 /nfs/dbraw/zinc/78/83/31/1068788331.db2.gz ZCNXKUIJYCFQJW-UHFFFAOYSA-N 0 0 451.411 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1)c1c(F)cccc1F ZINC001464576936 1068788881 /nfs/dbraw/zinc/78/88/81/1068788881.db2.gz HVDXIJFGGPMRRA-QGZVFWFLSA-N 0 0 455.299 4.610 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Oc1cccc(Oc2ccncc2)c1 ZINC001464578607 1068789432 /nfs/dbraw/zinc/78/94/32/1068789432.db2.gz JZACBJCCEQNBIS-UHFFFAOYSA-N 0 0 454.287 4.735 20 0 JJADRN Cc1ccc(N2CCC(C(=O)Nc3cccc(C)c3C(=O)NCCc3ccccc3)CC2)nc1 ZINC001464578158 1068789439 /nfs/dbraw/zinc/78/94/39/1068789439.db2.gz LDHLVOBAZJIEIQ-UHFFFAOYSA-N 0 0 456.590 4.526 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)C[C@@H](C)O1 ZINC001464580024 1068790301 /nfs/dbraw/zinc/79/03/01/1068790301.db2.gz LKXXCKGYWCQGFD-IAGOWNOFSA-N 0 0 451.394 4.802 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC001464580116 1068790339 /nfs/dbraw/zinc/79/03/39/1068790339.db2.gz WETQFGOUKXEMCC-AOMKIAJQSA-N 0 0 457.398 4.916 20 0 JJADRN O=C(CCNC(=O)c1csc(-c2ccc(Cl)cc2)c1)N1CCN(c2ccccc2)CC1 ZINC001464580785 1068790360 /nfs/dbraw/zinc/79/03/60/1068790360.db2.gz FMSNYXBIHLCMKY-UHFFFAOYSA-N 0 0 453.995 4.537 20 0 JJADRN O=S(=O)([C@H]1CCc2cc(Br)ccc2C1)N(Cc1cccc(F)c1)C1CCC1 ZINC001464583423 1068791461 /nfs/dbraw/zinc/79/14/61/1068791461.db2.gz HPZIOOHHPIPIPG-NRFANRHFSA-N 0 0 452.389 4.830 20 0 JJADRN Cc1cn(C(C)(C)C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)nc1C(F)(F)F ZINC001464583898 1068791503 /nfs/dbraw/zinc/79/15/03/1068791503.db2.gz GGTUGLWUEXPMTB-UHFFFAOYSA-N 0 0 455.484 4.660 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c1 ZINC001464590027 1068792651 /nfs/dbraw/zinc/79/26/51/1068792651.db2.gz QYXAUOBAANVWOA-MRXNPFEDSA-N 0 0 458.809 4.932 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1)C(=O)OC(C)(C)C ZINC001464588146 1068792666 /nfs/dbraw/zinc/79/26/66/1068792666.db2.gz YOJGFYYMSVJQLC-MRXNPFEDSA-N 0 0 451.610 4.847 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC001464590295 1068792766 /nfs/dbraw/zinc/79/27/66/1068792766.db2.gz LFRNZEBIKVAJAC-IBGZPJMESA-N 0 0 459.775 4.776 20 0 JJADRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2F)c1 ZINC001464595670 1068794168 /nfs/dbraw/zinc/79/41/68/1068794168.db2.gz BJIBLEDYJJOZRO-UHFFFAOYSA-N 0 0 450.871 4.612 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CCOCC1 ZINC001546148136 1068796376 /nfs/dbraw/zinc/79/63/76/1068796376.db2.gz GFWKDUSSQCXDDL-SFHVURJKSA-N 0 0 455.553 4.946 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001464614301 1068799705 /nfs/dbraw/zinc/79/97/05/1068799705.db2.gz MQERMLMWDMFUEP-SCLBCKFNSA-N 0 0 458.274 4.835 20 0 JJADRN CC(=O)N(C)c1ccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001464615093 1068800136 /nfs/dbraw/zinc/80/01/36/1068800136.db2.gz MEDUCIVYAPOPPJ-UHFFFAOYSA-N 0 0 457.530 4.537 20 0 JJADRN CC(C)c1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)nn1-c1ccccc1 ZINC001464615494 1068800189 /nfs/dbraw/zinc/80/01/89/1068800189.db2.gz PVFGZKWWMUEHTC-QFIPXVFZSA-N 0 0 454.368 4.972 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC001464619643 1068801390 /nfs/dbraw/zinc/80/13/90/1068801390.db2.gz KXEZWNYEBBDOTR-UHFFFAOYSA-N 0 0 454.748 4.803 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC001464621046 1068801887 /nfs/dbraw/zinc/80/18/87/1068801887.db2.gz QVKMYNGQKCXHMG-NRFANRHFSA-N 0 0 455.396 4.684 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001464625712 1068802315 /nfs/dbraw/zinc/80/23/15/1068802315.db2.gz NCKYJTIYZRPVCL-RBBKRZOGSA-N 0 0 450.595 4.910 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001546148254 1068802697 /nfs/dbraw/zinc/80/26/97/1068802697.db2.gz JWMFQJYCEOUQPF-LJQANCHMSA-N 0 0 471.621 4.939 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC001464628039 1068803817 /nfs/dbraw/zinc/80/38/17/1068803817.db2.gz WDOPHUPMSBPDPQ-QGZVFWFLSA-N 0 0 456.564 4.715 20 0 JJADRN C[C@@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1cc(Cl)cc2c1OCC2 ZINC001464630170 1068804115 /nfs/dbraw/zinc/80/41/15/1068804115.db2.gz FVZYHQPFTSGVGP-SNVBAGLBSA-N 0 0 456.745 4.823 20 0 JJADRN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464632522 1068804845 /nfs/dbraw/zinc/80/48/45/1068804845.db2.gz SXBJYLGOVOUAIJ-UXHICEINSA-N 0 0 451.449 4.809 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC001464633087 1068804905 /nfs/dbraw/zinc/80/49/05/1068804905.db2.gz VLSYWJHMNOYLBF-KRWDZBQOSA-N 0 0 454.267 4.606 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCCCC[C@@H]1c1ccccc1 ZINC001464640962 1068807984 /nfs/dbraw/zinc/80/79/84/1068807984.db2.gz FKJQALBDTMDQST-HSZRJFAPSA-N 0 0 454.617 4.984 20 0 JJADRN CC(C)n1c2ccc(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2nc1C(F)(F)F ZINC001464640572 1068808169 /nfs/dbraw/zinc/80/81/69/1068808169.db2.gz PBTSFNSSYGECPK-GOSISDBHSA-N 0 0 458.484 4.671 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)CC2)c1 ZINC001464645357 1068809972 /nfs/dbraw/zinc/80/99/72/1068809972.db2.gz APYGAWKYSGPIHF-UHFFFAOYSA-N 0 0 450.485 4.603 20 0 JJADRN Cc1cc(C(=O)NCCc2nc(-c3ccncc3)cs2)c2cc(Br)ccc2n1 ZINC001464655098 1068813422 /nfs/dbraw/zinc/81/34/22/1068813422.db2.gz SFWPWKAGDDISPE-UHFFFAOYSA-N 0 0 453.365 4.797 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001464657767 1068813902 /nfs/dbraw/zinc/81/39/02/1068813902.db2.gz MHHWUIIOBKWCED-QUCCMNQESA-N 0 0 453.583 4.702 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)cc2)cc1 ZINC001464658014 1068814465 /nfs/dbraw/zinc/81/44/65/1068814465.db2.gz QZMBTQXWLDTYGF-RTBURBONSA-N 0 0 460.477 4.559 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cccc(Cl)c1 ZINC001464660962 1068815415 /nfs/dbraw/zinc/81/54/15/1068815415.db2.gz LYAIMRVCQNEFRP-VKAVYKQESA-N 0 0 456.974 4.834 20 0 JJADRN Cc1cccc(C2(CNC(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)CCCC2)c1 ZINC001464661095 1068815528 /nfs/dbraw/zinc/81/55/28/1068815528.db2.gz NPHHUQZXHXLWGE-NRFANRHFSA-N 0 0 455.396 4.739 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC001464661825 1068815887 /nfs/dbraw/zinc/81/58/87/1068815887.db2.gz OEUHFPWWUIWYHZ-SFHVURJKSA-N 0 0 454.530 4.743 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC001464662039 1068816098 /nfs/dbraw/zinc/81/60/98/1068816098.db2.gz BNTVSBMUMHALKN-UHFFFAOYSA-N 0 0 457.933 4.769 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2scc(C)c2Br)c(F)cc1F ZINC001464663632 1068816716 /nfs/dbraw/zinc/81/67/16/1068816716.db2.gz KLAYZEZPPPOPHV-UHFFFAOYSA-N 0 0 453.330 4.501 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CCC1 ZINC001546148536 1068817214 /nfs/dbraw/zinc/81/72/14/1068817214.db2.gz VBHKNCXVHSMSJY-GTJUCTONSA-N 0 0 451.640 4.779 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)co2)cc1 ZINC001464665074 1068817236 /nfs/dbraw/zinc/81/72/36/1068817236.db2.gz FCVZZOSZPUNSHX-UHFFFAOYSA-N 0 0 456.474 4.801 20 0 JJADRN Cc1cc(NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464664692 1068817272 /nfs/dbraw/zinc/81/72/72/1068817272.db2.gz AYDQVQWXGPGFEK-UHFFFAOYSA-N 0 0 454.334 4.742 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC001464669409 1068818383 /nfs/dbraw/zinc/81/83/83/1068818383.db2.gz ZNHMLWSYXOJQAA-UHFFFAOYSA-N 0 0 455.942 4.992 20 0 JJADRN Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 ZINC001464668815 1068818447 /nfs/dbraw/zinc/81/84/47/1068818447.db2.gz CAQNWWURYXTHLJ-UHFFFAOYSA-N 0 0 450.623 4.823 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001546148588 1068818862 /nfs/dbraw/zinc/81/88/62/1068818862.db2.gz WRPOCRJXQBCLSR-FQEVSTJZSA-N 0 0 471.621 4.939 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2cscc2Br)c2ccccc21 ZINC001464672825 1068819596 /nfs/dbraw/zinc/81/95/96/1068819596.db2.gz JSGCCUFGXAILCH-CYBMUJFWSA-N 0 0 458.399 4.535 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001464672655 1068819660 /nfs/dbraw/zinc/81/96/60/1068819660.db2.gz FHVQSDJSARKGEO-QFIPXVFZSA-N 0 0 453.583 4.912 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)C1)Nc1cccc(F)c1 ZINC001464675523 1068821121 /nfs/dbraw/zinc/82/11/21/1068821121.db2.gz ZOUHADUFLHHRJH-LBPRGKRZSA-N 0 0 458.843 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001464677524 1068821863 /nfs/dbraw/zinc/82/18/63/1068821863.db2.gz STBYSADMYULZRG-SFHVURJKSA-N 0 0 459.414 4.816 20 0 JJADRN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464679283 1068821973 /nfs/dbraw/zinc/82/19/73/1068821973.db2.gz ISZRCVRXROEMKG-PMACEKPBSA-N 0 0 451.449 4.809 20 0 JJADRN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC001464679534 1068822576 /nfs/dbraw/zinc/82/25/76/1068822576.db2.gz PBHDZDOXIBOTLJ-UHFFFAOYSA-N 0 0 457.456 4.812 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2c(Br)cccc2C1)C1CCCCC1 ZINC001464680335 1068822616 /nfs/dbraw/zinc/82/26/16/1068822616.db2.gz VKBZAOGDXSIFBJ-IBGZPJMESA-N 0 0 451.405 4.807 20 0 JJADRN COCc1c(Br)cccc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464685005 1068824443 /nfs/dbraw/zinc/82/44/43/1068824443.db2.gz PJRIEELHQQJKHK-LAUBAEHRSA-N 0 0 453.377 4.714 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2C)CCCCC1 ZINC001464686204 1068824954 /nfs/dbraw/zinc/82/49/54/1068824954.db2.gz MJTVFPHFCPGKJE-DEOSSOPVSA-N 0 0 452.595 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cc(-n4cccc4)ccc3F)cn2)C1 ZINC001464686453 1068825154 /nfs/dbraw/zinc/82/51/54/1068825154.db2.gz MCRZPOJPUOWMQS-LJQANCHMSA-N 0 0 453.518 4.637 20 0 JJADRN Cc1c(Br)cccc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001464689249 1068826446 /nfs/dbraw/zinc/82/64/46/1068826446.db2.gz FKFMMWACHGDPEL-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)cc1 ZINC001464692027 1068826715 /nfs/dbraw/zinc/82/67/15/1068826715.db2.gz LWVUWNIXYICKMH-UCNVEGJOSA-N 0 0 475.511 4.537 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)C2)cc1 ZINC001464692075 1068826735 /nfs/dbraw/zinc/82/67/35/1068826735.db2.gz MQMCFBGULCPQNX-VQTJNVASSA-N 0 0 455.002 4.535 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(SC(F)(F)F)nc3)C2)cc1 ZINC001464692055 1068826751 /nfs/dbraw/zinc/82/67/51/1068826751.db2.gz MKOSRRXFSBGHNJ-HNNXBMFYSA-N 0 0 452.502 4.676 20 0 JJADRN C[C@]1(Cc2ccc(Cl)s2)CCCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC001464693989 1068827508 /nfs/dbraw/zinc/82/75/08/1068827508.db2.gz GVGKNDJGUXVIDC-LJQANCHMSA-N 0 0 459.420 4.726 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001464701852 1068829746 /nfs/dbraw/zinc/82/97/46/1068829746.db2.gz CZMAEJVQYNXSOL-IBGZPJMESA-N 0 0 451.498 4.851 20 0 JJADRN CC(C)Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001464703363 1068830323 /nfs/dbraw/zinc/83/03/23/1068830323.db2.gz KWPJPBRNISMGOI-DEOSSOPVSA-N 0 0 457.014 4.691 20 0 JJADRN O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001464704549 1068831713 /nfs/dbraw/zinc/83/17/13/1068831713.db2.gz JJYPDVWXQKOOFL-KSSFIOAISA-N 0 0 450.297 4.622 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001464705205 1068831731 /nfs/dbraw/zinc/83/17/31/1068831731.db2.gz XRKWJCWZKIDKIZ-INIZCTEOSA-N 0 0 459.974 4.714 20 0 JJADRN O=C(CC(F)(F)F)N1CCC(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC001464706766 1068832744 /nfs/dbraw/zinc/83/27/44/1068832744.db2.gz TXNDJZBMEVUKDC-HXUWFJFHSA-N 0 0 454.489 4.719 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001464708518 1068833447 /nfs/dbraw/zinc/83/34/47/1068833447.db2.gz QCQBASWMULGQGF-HNNXBMFYSA-N 0 0 456.449 4.603 20 0 JJADRN CC(C)COC(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC001464708314 1068833489 /nfs/dbraw/zinc/83/34/89/1068833489.db2.gz WKCULYHDBYACHY-UHFFFAOYSA-N 0 0 452.338 4.731 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(NC(C)=O)ccc2O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001546148869 1068833561 /nfs/dbraw/zinc/83/35/61/1068833561.db2.gz JGLOQWXUUJTSRN-JOCHJYFZSA-N 0 0 458.436 4.897 20 0 JJADRN CC(C)[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC001464712786 1068835160 /nfs/dbraw/zinc/83/51/60/1068835160.db2.gz YOGNWHJRGOPIDQ-SFHVURJKSA-N 0 0 457.290 4.711 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC001464713876 1068835508 /nfs/dbraw/zinc/83/55/08/1068835508.db2.gz ZFZWYCJYNDHONE-GOSISDBHSA-N 0 0 456.011 4.581 20 0 JJADRN CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1OC(C)C ZINC001464713753 1068835780 /nfs/dbraw/zinc/83/57/80/1068835780.db2.gz ZQHAGVBKONCABP-LJQANCHMSA-N 0 0 451.498 4.885 20 0 JJADRN CCON1CCC(CC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001464715925 1068836131 /nfs/dbraw/zinc/83/61/31/1068836131.db2.gz PAVFABNZCJRZSQ-AREMUKBSSA-N 0 0 456.030 4.627 20 0 JJADRN O=C(c1nc2ccc(Br)cn2c1F)N(CCc1ccccc1)Cc1cccnc1 ZINC001464719568 1068837557 /nfs/dbraw/zinc/83/75/57/1068837557.db2.gz ZWQXFRRKOMDTAF-UHFFFAOYSA-N 0 0 453.315 4.516 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccccc1-c1ccccc1C(=O)OC ZINC001464721146 1068837854 /nfs/dbraw/zinc/83/78/54/1068837854.db2.gz OGHHHQRMWQKBGQ-UHFFFAOYSA-N 0 0 457.482 4.993 20 0 JJADRN O=C(NCc1cccc(OCC(F)F)c1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001464722369 1068838409 /nfs/dbraw/zinc/83/84/09/1068838409.db2.gz QXIMZJHDFAGDRP-UHFFFAOYSA-N 0 0 452.383 4.813 20 0 JJADRN O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccccc1NS(=O)(=O)c1ccccc1 ZINC001464724466 1068838939 /nfs/dbraw/zinc/83/89/39/1068838939.db2.gz VDECKDAPDJVHBQ-UHFFFAOYSA-N 0 0 454.514 4.862 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)C3CCCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004101558 562932447 /nfs/dbraw/zinc/93/24/47/562932447.db2.gz LJQWPDCBLJYBIU-YIXXDRMTSA-N 0 0 480.605 4.988 20 0 JJADRN CCn1nccc1NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000013809417 562995697 /nfs/dbraw/zinc/99/56/97/562995697.db2.gz HLTGPDABGUBMRV-UHFFFAOYSA-N 0 0 450.926 4.698 20 0 JJADRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000015303719 563011627 /nfs/dbraw/zinc/01/16/27/563011627.db2.gz DTTVSFPLTQVORA-UHFFFAOYSA-N 0 0 495.350 4.729 20 0 JJADRN COc1cccc(CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC000020915840 563016497 /nfs/dbraw/zinc/01/64/97/563016497.db2.gz ZONISJVIXSHTEN-UHFFFAOYSA-N 0 0 458.514 4.866 20 0 JJADRN O=C1c2ccccc2[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]12 ZINC001164403817 718848440 /nfs/dbraw/zinc/84/84/40/718848440.db2.gz IYKQHVVNQQMBGN-YADHBBJMSA-N 0 0 482.609 4.607 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5c6ccccc6NC(=O)[C@@H]5C4)c23)C1 ZINC001164401072 718858385 /nfs/dbraw/zinc/85/83/85/718858385.db2.gz BTTBTHDFMJXMOD-NSISKUIASA-N 0 0 473.646 4.584 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5c6ccccc6NC(=O)[C@H]5C3)n2)CCC4)CC1 ZINC001164404056 718858533 /nfs/dbraw/zinc/85/85/33/718858533.db2.gz OGCZMDGKIVPSFU-PMACEKPBSA-N 0 0 473.646 4.584 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)Nc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164401665 718859304 /nfs/dbraw/zinc/85/93/04/718859304.db2.gz HAVPVLJROARQEF-IAGOWNOFSA-N 0 0 456.880 4.523 20 0 JJADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164406992 718867005 /nfs/dbraw/zinc/86/70/05/718867005.db2.gz IEHMICSKOWEQLW-UHFFFAOYSA-N 0 0 464.875 4.870 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164415815 718889887 /nfs/dbraw/zinc/88/98/87/718889887.db2.gz BVRNJBMAUJJFKS-CYBMUJFWSA-N 0 0 478.124 4.921 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164417314 718890430 /nfs/dbraw/zinc/89/04/30/718890430.db2.gz JLQBNWROFPBZFV-CYBMUJFWSA-N 0 0 457.706 4.576 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164415739 718891034 /nfs/dbraw/zinc/89/10/34/718891034.db2.gz AELMUWWAUKEXOF-INIZCTEOSA-N 0 0 483.744 4.757 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164417095 718891209 /nfs/dbraw/zinc/89/12/09/718891209.db2.gz HRESWFMDOYBXPQ-OAHLLOKOSA-N 0 0 484.732 4.540 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2CCCO[C@@H]2C1 ZINC001164421721 718899330 /nfs/dbraw/zinc/89/93/30/718899330.db2.gz RXNRGAWAWNEQKI-WMLDXEAASA-N 0 0 472.319 4.691 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164430430 718952847 /nfs/dbraw/zinc/95/28/47/718952847.db2.gz UXVIBHGIBFNVCY-SFHVURJKSA-N 0 0 484.374 4.935 20 0 JJADRN Cc1ncc2n1CCN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164440697 718991360 /nfs/dbraw/zinc/99/13/60/718991360.db2.gz QPRWVRADXLUULG-UHFFFAOYSA-N 0 0 450.637 4.931 20 0 JJADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001164624635 719128755 /nfs/dbraw/zinc/12/87/55/719128755.db2.gz VDRNIGFXJFJGEP-UHFFFAOYSA-N 0 0 456.884 4.634 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164629688 719139200 /nfs/dbraw/zinc/13/92/00/719139200.db2.gz BXBPFHGNCJTQFT-LJQANCHMSA-N 0 0 463.956 4.758 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccccc21 ZINC001164631104 719139335 /nfs/dbraw/zinc/13/93/35/719139335.db2.gz NGZZAXBNKUUXKU-IBGZPJMESA-N 0 0 481.946 4.897 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C[C@H]3O2)n1 ZINC001164638112 719260580 /nfs/dbraw/zinc/26/05/80/719260580.db2.gz NJCYNGVMIAEDJA-RYQLBKOJSA-N 0 0 478.975 4.545 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@@H]3O2)n1 ZINC001164635970 719263504 /nfs/dbraw/zinc/26/35/04/719263504.db2.gz IVEFXBVNMQIVKZ-JLSDUUJJSA-N 0 0 481.931 4.642 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@@H]3O2)n1 ZINC001164633605 719263777 /nfs/dbraw/zinc/26/37/77/719263777.db2.gz DHFULZCAXDNKLN-SNPRPXQTSA-N 0 0 480.972 4.641 20 0 JJADRN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645261 719290912 /nfs/dbraw/zinc/29/09/12/719290912.db2.gz FCSAZSKZCWLRRQ-APHBMKBZSA-N 0 0 470.929 4.672 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645523 719293878 /nfs/dbraw/zinc/29/38/78/719293878.db2.gz JTLMWKZCPYVVMS-OTWHNJEPSA-N 0 0 481.330 4.830 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2c1C ZINC001164649037 719294493 /nfs/dbraw/zinc/29/44/93/719294493.db2.gz GOVMTJSLFXEAOL-RQTOMXEWSA-N 0 0 493.677 4.642 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164650557 719295841 /nfs/dbraw/zinc/29/58/41/719295841.db2.gz JEAAYSHMZLACPI-BDTNDASRSA-N 0 0 490.913 4.829 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]3O2)n1 ZINC001164655650 719300818 /nfs/dbraw/zinc/30/08/18/719300818.db2.gz ULRNWMRKUFMDLV-VDGAXYAQSA-N 0 0 476.911 4.907 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)Oc4ccccc4-c4cccc(Cl)n4)C[C@@H]3O2)n1 ZINC001164656909 719301231 /nfs/dbraw/zinc/30/12/31/719301231.db2.gz ZHEJNTSAPDKBFE-CCKFTAQKSA-N 0 0 462.884 4.875 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164651244 719305366 /nfs/dbraw/zinc/30/53/66/719305366.db2.gz LIDLAVGJPXJCJZ-ZAOYMGCJSA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C[C@H]2CCCO[C@@H]21 ZINC001164650494 719305385 /nfs/dbraw/zinc/30/53/85/719305385.db2.gz IHNCITOWDVEVHH-CNDZOEFASA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164653723 719305430 /nfs/dbraw/zinc/30/54/30/719305430.db2.gz PZGUMWPJIRSMGU-AQKFKSFVSA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164650150 719306068 /nfs/dbraw/zinc/30/60/68/719306068.db2.gz ZNDLCLJJYNAIJZ-WEYGHZABSA-N 0 0 467.988 4.934 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CC2 ZINC001164648289 719311495 /nfs/dbraw/zinc/31/14/95/719311495.db2.gz HPORWBOYTNXLBE-UHFFFAOYSA-N 0 0 470.980 4.528 20 0 JJADRN COc1ccc(-c2csc3ncnc(N4CCc5c(CN(C)C)nn(C(C)C)c5C4)c23)cc1 ZINC001164653556 719314982 /nfs/dbraw/zinc/31/49/82/719314982.db2.gz VLVOBUFSPJVRFM-UHFFFAOYSA-N 0 0 462.623 4.769 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164651943 719315035 /nfs/dbraw/zinc/31/50/35/719315035.db2.gz KZPTYDXLPWLINN-UHFFFAOYSA-N 0 0 469.703 4.552 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164652940 719316543 /nfs/dbraw/zinc/31/65/43/719316543.db2.gz UZBHMLHPSOZYEM-UHFFFAOYSA-N 0 0 460.960 4.744 20 0 JJADRN O=S1(=O)c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3)C2)N1Cc1ccccc1 ZINC001164651353 719322631 /nfs/dbraw/zinc/32/26/31/719322631.db2.gz GYHQBXVSDRNUPT-QFIPXVFZSA-N 0 0 475.948 4.590 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)c2c1C ZINC001164662045 719343688 /nfs/dbraw/zinc/34/36/88/719343688.db2.gz MTGDCSZCXOBHMW-LGVFNWMJSA-N 0 0 470.683 4.847 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164660012 719343793 /nfs/dbraw/zinc/34/37/93/719343793.db2.gz HISPDJFCIFCACA-LQWHRVPQSA-N 0 0 464.944 4.680 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164664102 719348525 /nfs/dbraw/zinc/34/85/25/719348525.db2.gz RETBEALUFMVYOK-UHFFFAOYSA-N 0 0 456.569 4.772 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164663826 719350310 /nfs/dbraw/zinc/35/03/10/719350310.db2.gz NCLBMWSSGLKDCI-UHFFFAOYSA-N 0 0 455.031 4.547 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164659525 719351790 /nfs/dbraw/zinc/35/17/90/719351790.db2.gz QOEGGARUZBWOMI-UHFFFAOYSA-N 0 0 483.616 4.947 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164660897 719353874 /nfs/dbraw/zinc/35/38/74/719353874.db2.gz ZLVIUOKMSDTXOW-UHFFFAOYSA-N 0 0 450.590 4.838 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164663096 719356800 /nfs/dbraw/zinc/35/68/00/719356800.db2.gz CBSYUCOTCDSBOD-UHFFFAOYSA-N 0 0 468.605 4.642 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164663950 719359905 /nfs/dbraw/zinc/35/99/05/719359905.db2.gz JVVVTSOYYFBZKI-UHFFFAOYSA-N 0 0 491.995 4.886 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664454 719364088 /nfs/dbraw/zinc/36/40/88/719364088.db2.gz QZWOZNITRPNFLT-OAHLLOKOSA-N 0 0 463.916 4.682 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)cc1 ZINC001164674376 719500686 /nfs/dbraw/zinc/50/06/86/719500686.db2.gz VRPPANQBGZEJBO-UHFFFAOYSA-N 0 0 452.961 4.808 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4c2ccn4Cc2cccc(F)c2)CC3)cc1 ZINC001164672771 719510145 /nfs/dbraw/zinc/51/01/45/719510145.db2.gz NRDIQWPHRVPANU-UHFFFAOYSA-N 0 0 489.570 4.629 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2ccc(-c4ccccc4Cl)nn2)CC3)cc1 ZINC001164673355 719515038 /nfs/dbraw/zinc/51/50/38/719515038.db2.gz PXOBOCJWJFQEQN-UHFFFAOYSA-N 0 0 452.961 4.808 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)CC3)cc1 ZINC001164673420 719519838 /nfs/dbraw/zinc/51/98/38/719519838.db2.gz SWVGLTTUJIGIJP-UHFFFAOYSA-N 0 0 464.919 4.772 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)CC3)cc1 ZINC001164673940 719524572 /nfs/dbraw/zinc/52/45/72/719524572.db2.gz UOKXJHPGWVXJAR-UHFFFAOYSA-N 0 0 466.935 4.563 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nnc(Cl)c4ccc(Cl)cc42)CC3)cc1 ZINC001164679161 719528999 /nfs/dbraw/zinc/52/89/99/719528999.db2.gz UQORXHUQNYDCAY-UHFFFAOYSA-N 0 0 461.368 4.947 20 0 JJADRN Cc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc(-c2ccc(Cl)nc2)n1 ZINC001164679066 719529019 /nfs/dbraw/zinc/52/90/19/719529019.db2.gz RCUPXFVGPCOQFQ-UHFFFAOYSA-N 0 0 467.976 4.511 20 0 JJADRN COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001164677872 719532412 /nfs/dbraw/zinc/53/24/12/719532412.db2.gz HTDQNBCDDFCRES-UHFFFAOYSA-N 0 0 498.986 4.941 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1)N1CCCC1 ZINC001164679129 719536298 /nfs/dbraw/zinc/53/62/98/719536298.db2.gz UCUCEBNITGGUQB-HLAWJBBLSA-N 0 0 461.940 4.553 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1)N1CCCC1 ZINC001164677364 719545472 /nfs/dbraw/zinc/54/54/72/719545472.db2.gz DDTGRXDAVWOVGY-LPTQZCDUSA-N 0 0 479.930 4.692 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)cnc2Cl)c1 ZINC001164679185 719547587 /nfs/dbraw/zinc/54/75/87/719547587.db2.gz UWTSQDCPDZIPAF-ZPMCFJSWSA-N 0 0 491.966 4.562 20 0 JJADRN O=C([C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC12CCOCC2)N1CC=CC1 ZINC001164678511 719560017 /nfs/dbraw/zinc/56/00/17/719560017.db2.gz ZOSKMAPJJVHNKO-FQEVSTJZSA-N 0 0 491.941 4.717 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)cs1 ZINC001164682640 719593484 /nfs/dbraw/zinc/59/34/84/719593484.db2.gz DCRONEPJNNXULP-UHFFFAOYSA-N 0 0 461.365 4.860 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)N1Cc1cccnc1 ZINC001164690630 719775114 /nfs/dbraw/zinc/77/51/14/719775114.db2.gz GKUFTKUKOGREDG-RTWAWAEBSA-N 0 0 472.898 4.861 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164696550 719785798 /nfs/dbraw/zinc/78/57/98/719785798.db2.gz VWCZQZDUFHRIQR-UHFFFAOYSA-N 0 0 470.307 4.513 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCc4ncnc(OC(C)C)c4CC3)c(Cl)nn2)c1 ZINC001164694784 719793462 /nfs/dbraw/zinc/79/34/62/719793462.db2.gz GWMJISXGVDAHBA-UHFFFAOYSA-N 0 0 475.927 4.533 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CC3)cs1 ZINC001164691204 719814467 /nfs/dbraw/zinc/81/44/67/719814467.db2.gz AZUYNUYQQJLEQS-UHFFFAOYSA-N 0 0 452.962 4.556 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2nc(Cl)c4cc(Cl)ccc4n2)CC3)cn1 ZINC001164697627 719825450 /nfs/dbraw/zinc/82/54/50/719825450.db2.gz PUKJEKJMCNHHNL-CYBMUJFWSA-N 0 0 468.335 4.758 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4c(Cl)nc(Cl)nc4c2)CC3)cn1 ZINC001164696889 719825749 /nfs/dbraw/zinc/82/57/49/719825749.db2.gz LTOIUCWUXIWZRG-ZDUSSCGKSA-N 0 0 468.335 4.758 20 0 JJADRN COC[C@H]1CN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)Cc2cn(C)nc21 ZINC001164697471 719832001 /nfs/dbraw/zinc/83/20/01/719832001.db2.gz YKCVJJWZYPIFJF-SNVBAGLBSA-N 0 0 462.715 4.619 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC2)CN1c1ccccc1 ZINC001164694618 719836052 /nfs/dbraw/zinc/83/60/52/719836052.db2.gz HIRQTGNFIBNFIU-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN Cn1cnc2c1cc(C1CCN([C@@H](F)Oc3ccnc(Cl)c3)CC1)nc2-c1cccnc1 ZINC001164703619 719881063 /nfs/dbraw/zinc/88/10/63/719881063.db2.gz SWCVJVOCOOXZKU-HSZRJFAPSA-N 0 0 452.921 4.590 20 0 JJADRN Cc1nc(Cl)cc(C(F)(F)N2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)n1 ZINC001164699023 719881140 /nfs/dbraw/zinc/88/11/40/719881140.db2.gz GQMYIKJLQFKIIJ-UHFFFAOYSA-N 0 0 469.927 4.711 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)cnc2Cl)c1 ZINC001164801741 720052483 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/nfs/dbraw/zinc/08/81/66/720088166.db2.gz APRDEJMVVLNAAX-UHFFFAOYSA-N 0 0 478.952 4.911 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccnc(Cl)c3c2)cs1 ZINC001164816890 720253464 /nfs/dbraw/zinc/25/34/64/720253464.db2.gz NONIEFYXQIMNME-OALUTQOASA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)cs1 ZINC001164817366 720253731 /nfs/dbraw/zinc/25/37/31/720253731.db2.gz QRPCLGHCARSVAO-IRXDYDNUSA-N 0 0 481.931 4.502 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)cs1 ZINC001164818318 720256410 /nfs/dbraw/zinc/25/64/10/720256410.db2.gz YMDVJACETAQOGR-RTBURBONSA-N 0 0 462.953 4.968 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817950 720258425 /nfs/dbraw/zinc/25/84/25/720258425.db2.gz VFSSYZZWGGQAPN-UXHICEINSA-N 0 0 498.722 4.685 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)cnc2Cl)c1 ZINC001164819855 720268158 /nfs/dbraw/zinc/26/81/58/720268158.db2.gz 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20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825062 720387432 /nfs/dbraw/zinc/38/74/32/720387432.db2.gz UAKUPWFLESZPMW-ZMSDIMECSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)[C@H]3CCCO[C@H]23)cs1 ZINC001164825061 720387609 /nfs/dbraw/zinc/38/76/09/720387609.db2.gz UAKUPWFLESZPMW-UXLLHSPISA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825200 720388475 /nfs/dbraw/zinc/38/84/75/720388475.db2.gz UNJYNRYKIRTFDF-RRFJBIMHSA-N 0 0 472.970 4.608 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821862 720390309 /nfs/dbraw/zinc/39/03/09/720390309.db2.gz JZMSMXJEHZNELK-RCCFBDPRSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@@H]3CCCO[C@H]23)cs1 ZINC001164824934 720391726 /nfs/dbraw/zinc/39/17/26/720391726.db2.gz SLYGJPNPQXFIQV-LMMKCTJWSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822960 720392103 /nfs/dbraw/zinc/39/21/03/720392103.db2.gz NZRALPUNKZSBCH-JVSAHFFESA-N 0 0 490.988 4.642 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820386 720392596 /nfs/dbraw/zinc/39/25/96/720392596.db2.gz AGLPSBCXHZCBFC-ZHALLVOQSA-N 0 0 455.958 4.573 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164831547 720404484 /nfs/dbraw/zinc/40/44/84/720404484.db2.gz WGLZEPASJZBQPG-KKUMJFAQSA-N 0 0 472.279 4.552 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)O2)n1 ZINC001164829650 720411336 /nfs/dbraw/zinc/41/13/36/720411336.db2.gz NWVIZJFLHNGFGT-QYZOEREBSA-N 0 0 461.900 4.841 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723554 720484646 /nfs/dbraw/zinc/48/46/46/720484646.db2.gz CLTWQAZFYUYSBT-LEWJYISDSA-N 0 0 459.903 4.729 20 0 JJADRN 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Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc4ccccc4nc2Cl)C3)c1 ZINC001164729658 720494389 /nfs/dbraw/zinc/49/43/89/720494389.db2.gz SERSDQMKXFVTGX-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc4c2CCC4)C3)c1 ZINC001164725825 720497535 /nfs/dbraw/zinc/49/75/35/720497535.db2.gz KMISIXDFCAOLHD-WAIKUNEKSA-N 0 0 481.946 4.632 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@H]21)N1CCCCC1 ZINC001164830289 720498948 /nfs/dbraw/zinc/49/89/48/720498948.db2.gz AAWFDXNAVLQBFP-OGWOLHLISA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164725681 720500212 /nfs/dbraw/zinc/50/02/12/720500212.db2.gz JVLUOOMYKUPGDV-UTKZUKDTSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21)N1CCCCC1 ZINC001164833511 720501103 /nfs/dbraw/zinc/50/11/03/720501103.db2.gz PJEBYXNILZRAHF-UFYCRDLUSA-N 0 0 490.982 4.586 20 0 JJADRN 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Cc1cccc(CN2CC[C@@]3(CCN([C@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C3)C2=O)c1 ZINC001164854627 720808609 /nfs/dbraw/zinc/80/86/09/720808609.db2.gz UVXMZWGDMROMFA-UIOOFZCWSA-N 0 0 480.971 4.862 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2CN1Cc1ccncc1 ZINC001164852795 720811353 /nfs/dbraw/zinc/81/13/53/720811353.db2.gz OXGKXACFTPFYLZ-STQMWFEESA-N 0 0 498.748 4.625 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164851933 720813571 /nfs/dbraw/zinc/81/35/71/720813571.db2.gz LVFDGJRJJLAMLV-UZLBHIALSA-N 0 0 472.898 4.576 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)cnc2Cl)c1 ZINC001164855655 720814890 /nfs/dbraw/zinc/81/48/90/720814890.db2.gz XTWKONXNKKTGPB-KNQAVFIVSA-N 0 0 468.935 4.745 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001164855657 720815238 /nfs/dbraw/zinc/81/52/38/720815238.db2.gz XTWKONXNKKTGPB-SIKLNZKXSA-N 0 0 468.935 4.745 20 0 JJADRN O=C([C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1)N1CCCO1 ZINC001164848313 720823507 /nfs/dbraw/zinc/82/35/07/720823507.db2.gz MCFNFXKATBAPOI-ZCNNSNEGSA-N 0 0 469.960 4.618 20 0 JJADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)C2 ZINC001164846778 720830394 /nfs/dbraw/zinc/83/03/94/720830394.db2.gz GITQBIOAOCQPCX-UNMCSNQZSA-N 0 0 452.929 4.977 20 0 JJADRN Cc1nc([C@H]2COCCN2[C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)cs1 ZINC001164750207 720863398 /nfs/dbraw/zinc/86/33/98/720863398.db2.gz OREFGQVRZYTUQR-XMSQKQJNSA-N 0 0 494.423 4.760 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)CC1 ZINC001164858711 720894260 /nfs/dbraw/zinc/89/42/60/720894260.db2.gz NQOYPXDPJBLEQV-UHFFFAOYSA-N 0 0 456.924 4.961 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C2)CC1 ZINC001164857931 720894925 /nfs/dbraw/zinc/89/49/25/720894925.db2.gz KYIPXKAIYDFGOW-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN O=c1cc(Cn2ccnc2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)C2 ZINC001164859354 720896763 /nfs/dbraw/zinc/89/67/63/720896763.db2.gz PAXOUQLZMLQYHZ-UHFFFAOYSA-N 0 0 488.970 4.539 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1)c1ccccc1 ZINC001164859393 720898785 /nfs/dbraw/zinc/89/87/85/720898785.db2.gz PTWZRKZEDSOANC-GBXCKJPGSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1)c1ccccc1 ZINC001164860699 720899043 /nfs/dbraw/zinc/89/90/43/720899043.db2.gz UPRPGTRZRHPLFI-HXOBKFHXSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1)c1ccccc1 ZINC001164855898 720901764 /nfs/dbraw/zinc/90/17/64/720901764.db2.gz JQQZFDGMAKWSKI-YKSBVNFPSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1)c1ccccc1 ZINC001164859054 720902591 /nfs/dbraw/zinc/90/25/91/720902591.db2.gz ODSYRUJQMBWXGE-OFVILXPXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1)c1ccccc1 ZINC001164855584 720903470 /nfs/dbraw/zinc/90/34/70/720903470.db2.gz ITVNFHIWKSANAA-XXBNENTESA-N 0 0 461.940 4.715 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164759269 720973502 /nfs/dbraw/zinc/97/35/02/720973502.db2.gz ZKLRBUFCHINCES-AWEZNQCLSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164756779 720973959 /nfs/dbraw/zinc/97/39/59/720973959.db2.gz KXMJXMIZYMVMSV-KRWDZBQOSA-N 0 0 459.928 4.601 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758919 720975514 /nfs/dbraw/zinc/97/55/14/720975514.db2.gz WWUGKOSVNWRAKX-AWEZNQCLSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758529 720978454 /nfs/dbraw/zinc/97/84/54/720978454.db2.gz VXQCLQYRROACPG-AWEZNQCLSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164755568 720980731 /nfs/dbraw/zinc/98/07/31/720980731.db2.gz ARSYGDIEGUPOKS-OAHLLOKOSA-N 0 0 465.957 4.663 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1=O ZINC001164858115 721027596 /nfs/dbraw/zinc/02/75/96/721027596.db2.gz GIOJHJDAORIFPF-NRSPTQNISA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164765965 721028281 /nfs/dbraw/zinc/02/82/81/721028281.db2.gz PWRSCCRFHSDKEO-PGRDOPGGSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]2C1=O ZINC001164863632 721030970 /nfs/dbraw/zinc/03/09/70/721030970.db2.gz UMNYSACRYBNNHC-YZGWKJHDSA-N 0 0 467.988 4.505 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164768697 721031110 /nfs/dbraw/zinc/03/11/10/721031110.db2.gz VOEVPVJUJLWAOJ-VGOFRKELSA-N 0 0 476.911 4.675 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164768694 721031312 /nfs/dbraw/zinc/03/13/12/721031312.db2.gz VOEVPVJUJLWAOJ-JTSKRJEESA-N 0 0 476.911 4.675 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]2C1=O ZINC001164863625 721031314 /nfs/dbraw/zinc/03/13/14/721031314.db2.gz UMNYSACRYBNNHC-MISYRCLQSA-N 0 0 467.988 4.505 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164770255 721031349 /nfs/dbraw/zinc/03/13/49/721031349.db2.gz XGTUISLIYNMXMP-TUSQITKMSA-N 0 0 484.959 4.664 20 0 JJADRN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164768396 721040523 /nfs/dbraw/zinc/04/05/23/721040523.db2.gz UFXWEHJYXMOWPM-UXHICEINSA-N 0 0 492.357 4.827 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)ncc1Cl)[C@H]2COCc1ccccc1 ZINC001164758905 721047171 /nfs/dbraw/zinc/04/71/71/721047171.db2.gz DQYUUJSPNJWCBE-SFHVURJKSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@@H]2COCc1ccccc1 ZINC001164768200 721048176 /nfs/dbraw/zinc/04/81/76/721048176.db2.gz IBQPHUAOPDWRQF-QGZVFWFLSA-N 0 0 490.967 4.822 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@@H]2COCc1ccccc1 ZINC001164767426 721048748 /nfs/dbraw/zinc/04/87/48/721048748.db2.gz HDORRJMZCCTQDB-OAQYLSRUSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)[C@H]2COCc1ccccc1 ZINC001164770905 721048847 /nfs/dbraw/zinc/04/88/47/721048847.db2.gz LDNBHYMJDHBXTF-KRWDZBQOSA-N 0 0 468.335 4.865 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)cc1 ZINC001164764786 721056994 /nfs/dbraw/zinc/05/69/94/721056994.db2.gz BNCDKTBVCLUHOV-VXKWHMMOSA-N 0 0 483.950 4.734 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc3c2CCCCC3)n1 ZINC001164774124 721057364 /nfs/dbraw/zinc/05/73/64/721057364.db2.gz UUNGHUIQJVLECQ-SFTDATJTSA-N 0 0 460.956 4.632 20 0 JJADRN c1ccc([C@H]2CO[C@]3(C2)CCCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164765138 721060472 /nfs/dbraw/zinc/06/04/72/721060472.db2.gz CDGCNUAKFWCTGZ-PIKZIKFNSA-N 0 0 490.673 4.555 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164772504 721062062 /nfs/dbraw/zinc/06/20/62/721062062.db2.gz PHSOSETZVTZDKQ-DYESRHJHSA-N 0 0 470.969 4.617 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]32)N=C1C ZINC001164871989 721228086 /nfs/dbraw/zinc/22/80/86/721228086.db2.gz MCONGLNUTLUVLR-KKLQWCBXSA-N 0 0 458.940 4.812 20 0 JJADRN O=C(N1CCCC1)C12CC(C1)CN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164870812 721238014 /nfs/dbraw/zinc/23/80/14/721238014.db2.gz CDULJBLVASXCJW-UHFFFAOYSA-N 0 0 487.673 4.935 20 0 JJADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164874025 721242905 /nfs/dbraw/zinc/24/29/05/721242905.db2.gz SDYLDCKEVDOILO-IQMFZBJNSA-N 0 0 457.937 4.629 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@H]32)n1 ZINC001164880147 721251073 /nfs/dbraw/zinc/25/10/73/721251073.db2.gz ZXVZQETXVUEKQU-VSKRKVRLSA-N 0 0 481.666 4.750 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164760464 721253106 /nfs/dbraw/zinc/25/31/06/721253106.db2.gz FAVYMWWFQNWCJP-FSPWUOQZSA-N 0 0 496.341 4.695 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)O1)c1ccccc1 ZINC001164877836 721254464 /nfs/dbraw/zinc/25/44/64/721254464.db2.gz RTTZMWGQOAJMIF-UTKZUKDTSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)O1)c1ccccc1 ZINC001164873126 721259266 /nfs/dbraw/zinc/25/92/66/721259266.db2.gz GLLOGOJVHUVJTP-JPYJTQIMSA-N 0 0 476.955 4.500 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164764516 721269931 /nfs/dbraw/zinc/26/99/31/721269931.db2.gz HCPZUAGYFUCPGY-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767071 721273450 /nfs/dbraw/zinc/27/34/50/721273450.db2.gz FIQCLZZLWYPVID-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767097 721274125 /nfs/dbraw/zinc/27/41/25/721274125.db2.gz GCIOBFCLLUMZGU-CQSZACIVSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164766331 721275302 /nfs/dbraw/zinc/27/53/02/721275302.db2.gz DLPVIRONPYUVOB-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164770730 721276473 /nfs/dbraw/zinc/27/64/73/721276473.db2.gz YHNXFUUFEXVSFF-GOSISDBHSA-N 0 0 496.949 4.957 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1 ZINC001164877838 721296654 /nfs/dbraw/zinc/29/66/54/721296654.db2.gz PCRNZOYXMGAGGL-OXJNMPFZSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@H]2C1 ZINC001164879709 721299200 /nfs/dbraw/zinc/29/92/00/721299200.db2.gz ZWMCBYORQVKORT-SWLSCSKDSA-N 0 0 495.901 4.728 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC3(CCC(=O)N3CC3CC3)CC2)c(Cl)nn1 ZINC001164778131 721307413 /nfs/dbraw/zinc/30/74/13/721307413.db2.gz WOZZHKONDFOMPF-UHFFFAOYSA-N 0 0 476.955 4.722 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880833 721312892 /nfs/dbraw/zinc/31/28/92/721312892.db2.gz SQAJBGXPOQXEAF-KBRIMQKVSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@@H]32)nn1 ZINC001164777208 721314146 /nfs/dbraw/zinc/31/41/46/721314146.db2.gz RSFMFBSJAZEZQL-PMACEKPBSA-N 0 0 463.960 4.520 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)c1 ZINC001164878514 721315368 /nfs/dbraw/zinc/31/53/68/721315368.db2.gz OWXARNDLSQIDJY-IPHXSNPTSA-N 0 0 490.913 4.939 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4ccccn4)n2)CC3)cc1 ZINC001164779557 721316195 /nfs/dbraw/zinc/31/61/95/721316195.db2.gz ZAGSMVRZNAJJNV-UHFFFAOYSA-N 0 0 482.897 4.938 20 0 JJADRN CCN1CC[C@]2(CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@@H]2C)C1=O ZINC001164779470 721319095 /nfs/dbraw/zinc/31/90/95/721319095.db2.gz YGQPFUUUDGYBJO-XTZNXHDOSA-N 0 0 463.743 4.830 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164880778 721319623 /nfs/dbraw/zinc/31/96/23/721319623.db2.gz ZCOTVLCDZUMFNF-HXUWFJFHSA-N 0 0 486.925 4.981 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164880777 721319864 /nfs/dbraw/zinc/31/98/64/721319864.db2.gz ZCOTVLCDZUMFNF-FQEVSTJZSA-N 0 0 486.925 4.981 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)nc(Cl)c2c1 ZINC001164776557 721325786 /nfs/dbraw/zinc/32/57/86/721325786.db2.gz FCRLBBKCDKOBQS-AWEZNQCLSA-N 0 0 482.865 4.708 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)n1 ZINC001164776070 721326772 /nfs/dbraw/zinc/32/67/72/721326772.db2.gz CKTIZAAPWPEEEK-LJQANCHMSA-N 0 0 499.656 4.891 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164776652 721327139 /nfs/dbraw/zinc/32/71/39/721327139.db2.gz HLQVVNHIIIVGSK-CYBMUJFWSA-N 0 0 459.921 4.743 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164776543 721327338 /nfs/dbraw/zinc/32/73/38/721327338.db2.gz GDMWZWLBOSCRSZ-MRXNPFEDSA-N 0 0 453.892 4.898 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c(Cl)n1 ZINC001164776659 721328306 /nfs/dbraw/zinc/32/83/06/721328306.db2.gz HOXJJNQSVDJIDK-UHFFFAOYSA-N 0 0 453.961 4.854 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2)N1CC=CC1 ZINC001164776733 721329046 /nfs/dbraw/zinc/32/90/46/721329046.db2.gz IDMMDOKYUSZQJZ-UHFFFAOYSA-N 0 0 473.395 4.980 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)cs1 ZINC001164874821 721331206 /nfs/dbraw/zinc/33/12/06/721331206.db2.gz JODONCWHSZPPDX-CYBMUJFWSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)cs1 ZINC001164876310 721331785 /nfs/dbraw/zinc/33/17/85/721331785.db2.gz NWNZJZVAJVUVEY-CQSZACIVSA-N 0 0 478.956 4.576 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)c1 ZINC001164876870 721332330 /nfs/dbraw/zinc/33/23/30/721332330.db2.gz RBPZKEFOVFHRBD-AWEZNQCLSA-N 0 0 486.013 4.816 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778452 721333977 /nfs/dbraw/zinc/33/39/77/721333977.db2.gz XCKLVPQNGIGTEV-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164777745 721336971 /nfs/dbraw/zinc/33/69/71/721336971.db2.gz QGAIBXZZTJIUNQ-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)C1 ZINC001164778557 721339326 /nfs/dbraw/zinc/33/93/26/721339326.db2.gz NDVGJTRJUAZZLK-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164884185 721353290 /nfs/dbraw/zinc/35/32/90/721353290.db2.gz MYGFKXJDUJSHTM-OFNKIYASSA-N 0 0 498.961 4.628 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)N1c1ccsc1 ZINC001164884140 721356277 /nfs/dbraw/zinc/35/62/77/721356277.db2.gz UABIFASYIVWSPT-ZIAGYGMSSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)N1c1ccsc1 ZINC001164884136 721356498 /nfs/dbraw/zinc/35/64/98/721356498.db2.gz UABIFASYIVWSPT-KGLIPLIRSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882424 721357604 /nfs/dbraw/zinc/35/76/04/721357604.db2.gz JEESLMGTYZBFMX-OALUTQOASA-N 0 0 479.675 4.612 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882425 721357762 /nfs/dbraw/zinc/35/77/62/721357762.db2.gz JEESLMGTYZBFMX-RBUKOAKNSA-N 0 0 479.675 4.612 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)N1c1ccsc1 ZINC001164883723 721358730 /nfs/dbraw/zinc/35/87/30/721358730.db2.gz RQBHHAFBUXEUNN-CABCVRRESA-N 0 0 452.939 4.849 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)N1c1ccsc1 ZINC001164881823 721360275 /nfs/dbraw/zinc/36/02/75/721360275.db2.gz FTSORNTYSJEQSB-MSOLQXFVSA-N 0 0 464.900 4.927 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)N1c1ccsc1 ZINC001164881886 721360733 /nfs/dbraw/zinc/36/07/33/721360733.db2.gz GSPHTWGAORBJRK-QZTJIDSGSA-N 0 0 464.900 4.927 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164885100 721361449 /nfs/dbraw/zinc/36/14/49/721361449.db2.gz WTQLASHZKUBCLV-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164787063 721368688 /nfs/dbraw/zinc/36/86/88/721368688.db2.gz XZQPSLSZZQFXFI-RUZDIDTESA-N 0 0 485.991 4.660 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164787943 721373729 /nfs/dbraw/zinc/37/37/29/721373729.db2.gz YNAUJGIXVKVPRV-HSZRJFAPSA-N 0 0 476.408 4.660 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(CC(=O)N(c5cnn(C)c5)C4)C3)cnc2Cl)c1 ZINC001164886864 721374102 /nfs/dbraw/zinc/37/41/02/721374102.db2.gz PDTXGGKZFFHBPT-HSZRJFAPSA-N 0 0 471.939 4.622 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779880 721382806 /nfs/dbraw/zinc/38/28/06/721382806.db2.gz CZPKBTMWDVMLGC-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@]4(CCC[C@H]4COCc4ccncc4)C3)nc12 ZINC001164780720 721383723 /nfs/dbraw/zinc/38/37/23/721383723.db2.gz IGIBXWRUEFDZNO-SBUREZEXSA-N 0 0 492.929 4.955 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786173 721386268 /nfs/dbraw/zinc/38/62/68/721386268.db2.gz UDOFYFFXWSSJJG-WZONZLPQSA-N 0 0 474.939 4.815 20 0 JJADRN Cc1nc2c(cc(-c3nc(N4C[C@H]5CN(Cc6nccs6)C[C@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164790969 721410747 /nfs/dbraw/zinc/41/07/47/721410747.db2.gz YRJPKMSFZBOLHE-HDICACEKSA-N 0 0 495.603 4.686 20 0 JJADRN Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2)cn1 ZINC001164783895 721421124 /nfs/dbraw/zinc/42/11/24/721421124.db2.gz JHIWSXZULPAMDQ-WOJBJXKFSA-N 0 0 483.037 4.862 20 0 JJADRN Clc1cccc(-c2nc3c(c(N4C[C@H]5CN(Cc6nccs6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164789546 721431929 /nfs/dbraw/zinc/43/19/29/721431929.db2.gz VSZYQVLFDNIYOK-QZTJIDSGSA-N 0 0 452.027 4.701 20 0 JJADRN Clc1cccc(-c2nc3c(c(N4C[C@H]5CN(Cc6nccs6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164789026 721432020 /nfs/dbraw/zinc/43/20/20/721432020.db2.gz VSZYQVLFDNIYOK-HDICACEKSA-N 0 0 452.027 4.701 20 0 JJADRN Clc1cccc(-c2nc3c(c(N4C[C@@H]5CN(Cc6nccs6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164789550 721432232 /nfs/dbraw/zinc/43/22/32/721432232.db2.gz VSZYQVLFDNIYOK-ROUUACIJSA-N 0 0 452.027 4.701 20 0 JJADRN Fc1ccc(-c2nc(Cl)cc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)cc1Cl ZINC001164791054 721434766 /nfs/dbraw/zinc/43/47/66/721434766.db2.gz ZJUANKHBYSRGRS-KBPBESRZSA-N 0 0 450.370 4.614 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164781903 721442438 /nfs/dbraw/zinc/44/24/38/721442438.db2.gz HIJOMSKJKIUBNB-QFIPXVFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccnc(Cl)c2F)CCO3)cs1 ZINC001164786428 721442660 /nfs/dbraw/zinc/44/26/60/721442660.db2.gz VAUKFUUDJLAJJB-KUHUBIRLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)nc(Cl)n2)CCO3)cs1 ZINC001164783281 721442676 /nfs/dbraw/zinc/44/26/76/721442676.db2.gz OGSBBQJITXJGNK-FZKQIMNGSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccnc(Cl)c2F)CCO3)cs1 ZINC001164786434 721442941 /nfs/dbraw/zinc/44/29/41/721442941.db2.gz VAUKFUUDJLAJJB-LIRRHRJNSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164783945 721443507 /nfs/dbraw/zinc/44/35/07/721443507.db2.gz OQHOTEFLRZXGGM-HNAYVOBHSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2F)CCO3)cs1 ZINC001164784874 721443569 /nfs/dbraw/zinc/44/35/69/721443569.db2.gz QZCAULVWDUTZPS-IFXJQAMLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)Oc2cccnc2Cl)CCO3)cs1 ZINC001164786543 721443634 /nfs/dbraw/zinc/44/36/34/721443634.db2.gz VJRFXUZBFUJDLW-DNVCBOLYSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ccc2F)CCO3)cs1 ZINC001164784885 721443701 /nfs/dbraw/zinc/44/37/01/721443701.db2.gz QZCAULVWDUTZPS-LIRRHRJNSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)COc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784349 721443749 /nfs/dbraw/zinc/44/37/49/721443749.db2.gz PKPYVLFPFWMGBZ-OXQOHEQNSA-N 0 0 473.973 4.559 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)c(F)c2)CCO3)cs1 ZINC001164781905 721443781 /nfs/dbraw/zinc/44/37/81/721443781.db2.gz HIQNAZAZNQUWGA-AUUYWEPGSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccc(C)c(Cl)n2)CCO3)cs1 ZINC001164780993 721444158 /nfs/dbraw/zinc/44/41/58/721444158.db2.gz DMSCEOAIHCJZJB-UZLBHIALSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CCO3)cs1 ZINC001164781586 721444624 /nfs/dbraw/zinc/44/46/24/721444624.db2.gz GNGYIWOGTBWTMS-BTYIYWSLSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(C4CC4)nnc2Cl)CCO3)cs1 ZINC001164780946 721444859 /nfs/dbraw/zinc/44/48/59/721444859.db2.gz DCKYCFMOPIIYHG-IIBYNOLFSA-N 0 0 485.000 4.910 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164784144 721445040 /nfs/dbraw/zinc/44/50/40/721445040.db2.gz OYZOSPOELIPRQZ-KUHUBIRLSA-N 0 0 493.407 4.772 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)O1 ZINC001164889693 721460383 /nfs/dbraw/zinc/46/03/83/721460383.db2.gz PGKWBGPZXYUKML-UFYCRDLUSA-N 0 0 482.358 4.863 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)C2=O)cs1 ZINC001164887934 721460746 /nfs/dbraw/zinc/46/07/46/721460746.db2.gz KZOKUIAEYOEDPO-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)C2=O)cs1 ZINC001164884318 721460757 /nfs/dbraw/zinc/46/07/57/721460757.db2.gz AQBGXYYISSVLBH-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C3)C2=O)cs1 ZINC001164892770 721460770 /nfs/dbraw/zinc/46/07/70/721460770.db2.gz XZJGAEIUZINYOF-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C3)C2=O)cs1 ZINC001164888474 721461081 /nfs/dbraw/zinc/46/10/81/721461081.db2.gz MLWSVIWNKFHAEV-FQEVSTJZSA-N 0 0 465.957 4.545 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C3)C2=O)cs1 ZINC001164884911 721461583 /nfs/dbraw/zinc/46/15/83/721461583.db2.gz CKJLGQDXAVAIFE-FQEVSTJZSA-N 0 0 465.957 4.545 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc5ccccc5nc4Cl)C3)C2=O)cs1 ZINC001164893447 721461693 /nfs/dbraw/zinc/46/16/93/721461693.db2.gz ZOPTXOQHBKWXDU-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)C3)C2=O)cs1 ZINC001164893221 721462398 /nfs/dbraw/zinc/46/23/98/721462398.db2.gz RRRBUGKIJBHPOE-HXUWFJFHSA-N 0 0 466.985 4.639 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC[C@@H]21 ZINC001164894752 721468095 /nfs/dbraw/zinc/46/80/95/721468095.db2.gz YJGNHLLKNAKQNB-KXBFYZLASA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164888244 721468986 /nfs/dbraw/zinc/46/89/86/721468986.db2.gz FLVUTYJZIHMDEB-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)CC2)C1=O ZINC001164896605 721473461 /nfs/dbraw/zinc/47/34/61/721473461.db2.gz WZRKPBIGXPQFIP-UHFFFAOYSA-N 0 0 456.924 4.629 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC4(CC3)Cc3ccccc3CN(C)C4=O)nc(Cl)c2c1 ZINC001164891555 721474126 /nfs/dbraw/zinc/47/41/26/721474126.db2.gz CTDDUVZXXOQCBH-UHFFFAOYSA-N 0 0 486.950 4.638 20 0 JJADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164786724 721475333 /nfs/dbraw/zinc/47/53/33/721475333.db2.gz CAKXMFXKHVJGLL-UHFFFAOYSA-N 0 0 497.937 4.836 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)Cc2cnn(C)c21 ZINC001164793494 721478069 /nfs/dbraw/zinc/47/80/69/721478069.db2.gz WGTNDCXCXGGTTH-MRXNPFEDSA-N 0 0 450.892 4.960 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164793834 721486038 /nfs/dbraw/zinc/48/60/38/721486038.db2.gz XWGXKQQWYJLDTO-RBZFPXEDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164793927 721486113 /nfs/dbraw/zinc/48/61/13/721486113.db2.gz XWGXKQQWYJLDTO-ZUOKHONESA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164792072 721486597 /nfs/dbraw/zinc/48/65/97/721486597.db2.gz GELXDXGUTWPVTK-RNODOKPDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164792076 721486713 /nfs/dbraw/zinc/48/67/13/721486713.db2.gz GELXDXGUTWPVTK-ZUOKHONESA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164893386 721487661 /nfs/dbraw/zinc/48/76/61/721487661.db2.gz COONPOBORZQWGB-MRXNPFEDSA-N 0 0 472.902 4.816 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)c(Cl)nn1 ZINC001164792509 721488849 /nfs/dbraw/zinc/48/88/49/721488849.db2.gz JWTBQAVXTXXPBY-JLCFBVMHSA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164899022 721489467 /nfs/dbraw/zinc/48/94/67/721489467.db2.gz JFZOTDVQSUVKSF-CYBMUJFWSA-N 0 0 485.362 4.526 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccc(C)cc21 ZINC001164897180 721491786 /nfs/dbraw/zinc/49/17/86/721491786.db2.gz CABBWKJXWYRADV-KRWDZBQOSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccc(C)cc21 ZINC001164901534 721492217 /nfs/dbraw/zinc/49/22/17/721492217.db2.gz WHCWRDLNJSTLTH-GOSISDBHSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897862 721492629 /nfs/dbraw/zinc/49/26/29/721492629.db2.gz FKFLXBPALHQAMN-INIZCTEOSA-N 0 0 484.378 4.635 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(CCOC[C@@H]4NC(=O)C(C)C)CC3)c(Cl)nn2)cc1 ZINC001164899198 721502615 /nfs/dbraw/zinc/50/26/15/721502615.db2.gz WZZYTLQHGTZOTB-NRFANRHFSA-N 0 0 492.998 4.798 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)CC2 ZINC001164897559 721505202 /nfs/dbraw/zinc/50/52/02/721505202.db2.gz NGKFQXDASJHXSC-QFIPXVFZSA-N 0 0 498.961 4.897 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)N1Cc1ccncc1 ZINC001164895749 721506229 /nfs/dbraw/zinc/50/62/29/721506229.db2.gz FJMKMTRRKAQJTC-UHFFFAOYSA-N 0 0 475.902 4.524 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC2)N1Cc1ccncc1 ZINC001164897703 721506445 /nfs/dbraw/zinc/50/64/45/721506445.db2.gz GIZMYLBCFOHZEP-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC2)N1Cc1ccncc1 ZINC001164899750 721507117 /nfs/dbraw/zinc/50/71/17/721507117.db2.gz MFWGUXOEDKPPTC-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164805142 721541596 /nfs/dbraw/zinc/54/15/96/721541596.db2.gz KZMIOEDNYQNHMN-CYXNTTPDSA-N 0 0 487.554 4.838 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164798956 721542051 /nfs/dbraw/zinc/54/20/51/721542051.db2.gz AFOQUCUYWGLUQO-VAMGGRTRSA-N 0 0 478.811 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164799861 721542662 /nfs/dbraw/zinc/54/26/62/721542662.db2.gz BJYIQTSKOLVULN-CQOQZXRMSA-N 0 0 485.966 4.605 20 0 JJADRN Cc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164805207 721547418 /nfs/dbraw/zinc/54/74/18/721547418.db2.gz LFORTMZELKUYAP-GIFXNVAJSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164804445 721548718 /nfs/dbraw/zinc/54/87/18/721548718.db2.gz JRGZZKHHJAEUDZ-BDTNDASRSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164801653 721562519 /nfs/dbraw/zinc/56/25/19/721562519.db2.gz GYYOLRVFGJYYFI-VWPQPMDRSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800300 721564739 /nfs/dbraw/zinc/56/47/39/721564739.db2.gz DQPDYSSOHBBHLC-MZKRTTBSSA-N 0 0 485.966 4.605 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)n1 ZINC001164903953 721571965 /nfs/dbraw/zinc/57/19/65/721571965.db2.gz SQFIOXRHQSWHIC-GTKHYJCHSA-N 0 0 456.921 4.637 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164902759 721577364 /nfs/dbraw/zinc/57/73/64/721577364.db2.gz MMWLKPADGMTNNN-SFHVURJKSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164901948 721577457 /nfs/dbraw/zinc/57/74/57/721577457.db2.gz HQWZECNQDDQXGR-HXUWFJFHSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164904391 721577932 /nfs/dbraw/zinc/57/79/32/721577932.db2.gz PVFPWQSXIKMQJM-OAQYLSRUSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164904437 721578445 /nfs/dbraw/zinc/57/84/45/721578445.db2.gz QFYAUJXPFYVDOJ-FQEVSTJZSA-N 0 0 491.970 4.592 20 0 JJADRN Cc1sc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1-c1ccccc1 ZINC001164808066 721578491 /nfs/dbraw/zinc/57/84/91/721578491.db2.gz PTUOSKRPUMXUEW-HWBMXIPRSA-N 0 0 471.630 4.930 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164902848 721579031 /nfs/dbraw/zinc/57/90/31/721579031.db2.gz JKJJZHCJAUXHFI-OAQYLSRUSA-N 0 0 480.987 4.921 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc4ccccc43)nn2)[C@H]2CCCO[C@H]12 ZINC001164804334 721584558 /nfs/dbraw/zinc/58/45/58/721584558.db2.gz JMUPEPWWLAJXRL-REUBFRLUSA-N 0 0 451.574 4.560 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806281 721586748 /nfs/dbraw/zinc/58/67/48/721586748.db2.gz MTWYSLJPYBWZKJ-DNVJHFABSA-N 0 0 485.966 4.605 20 0 JJADRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802606 721587690 /nfs/dbraw/zinc/58/76/90/721587690.db2.gz HBENBHQIVDRIJJ-GSDHBNRESA-N 0 0 478.040 4.601 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164806964 721588346 /nfs/dbraw/zinc/58/83/46/721588346.db2.gz OFKIAJCDYIZOFM-MZKRTTBSSA-N 0 0 488.394 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164810860 721589639 /nfs/dbraw/zinc/58/96/39/721589639.db2.gz WLMUCOUBZIXDKU-NNWRFLSQSA-N 0 0 486.403 4.839 20 0 JJADRN CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164804086 721590421 /nfs/dbraw/zinc/59/04/21/721590421.db2.gz IHIHUWSFOHCISZ-NHTMILBNSA-N 0 0 480.012 4.748 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@H]2CCCO[C@H]12 ZINC001164806827 721591756 /nfs/dbraw/zinc/59/17/56/721591756.db2.gz NBSQAEDVMCUGHQ-VWPQPMDRSA-N 0 0 474.939 4.803 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)c(Cl)nn2)cc1 ZINC001164804888 721600326 /nfs/dbraw/zinc/60/03/26/721600326.db2.gz YOBRKLMXOIEGMP-UHFFFAOYSA-N 0 0 459.928 4.794 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)cnc1Cl ZINC001164801445 721600902 /nfs/dbraw/zinc/60/09/02/721600902.db2.gz OMKVPCIJZUWTDN-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798421 721600944 /nfs/dbraw/zinc/60/09/44/721600944.db2.gz FLLKCGCWDPXQDL-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164803462 721601306 /nfs/dbraw/zinc/60/13/06/721601306.db2.gz UUZXFKRCZZFFGY-HTAPYJJXSA-N 0 0 459.928 4.750 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C3)c1 ZINC001164804407 721601646 /nfs/dbraw/zinc/60/16/46/721601646.db2.gz YJVOGSQGBBVIPD-XMSQKQJNSA-N 0 0 480.943 4.899 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164797538 721603643 /nfs/dbraw/zinc/60/36/43/721603643.db2.gz BLZXWCUJUYYAMC-HNNXBMFYSA-N 0 0 480.968 4.987 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164798856 721603648 /nfs/dbraw/zinc/60/36/48/721603648.db2.gz JIRZVWWFQCCVGH-GOSISDBHSA-N 0 0 474.939 4.925 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164799305 721605528 /nfs/dbraw/zinc/60/55/28/721605528.db2.gz JLYHAYZAIYGDMV-SFHVURJKSA-N 0 0 490.725 4.736 20 0 JJADRN COc1ccc(C(F)(F)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1Cl ZINC001164797560 721605692 /nfs/dbraw/zinc/60/56/92/721605692.db2.gz BWZNLPPVAALKDY-FQEVSTJZSA-N 0 0 485.318 4.696 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164803240 721605774 /nfs/dbraw/zinc/60/57/74/721605774.db2.gz UUCNCZDEHSPUFM-OAQYLSRUSA-N 0 0 496.345 4.960 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010921 721691445 /nfs/dbraw/zinc/69/14/45/721691445.db2.gz XVOYEGNTTFVJOG-SRVWHDFXSA-N 0 0 475.927 4.559 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009731 721692194 /nfs/dbraw/zinc/69/21/94/721692194.db2.gz QZARXUAEGXCEPL-HFXUHXBXSA-N 0 0 476.955 4.653 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009738 721692349 /nfs/dbraw/zinc/69/23/49/721692349.db2.gz QZARXUAEGXCEPL-ICPLQIHGSA-N 0 0 476.955 4.653 20 0 JJADRN C[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009712 721692555 /nfs/dbraw/zinc/69/25/55/721692555.db2.gz QWEYFSNCENYZOZ-ZDWFVDTJSA-N 0 0 476.955 4.653 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008378 721693545 /nfs/dbraw/zinc/69/35/45/721693545.db2.gz ISGBSDKYAZXUNS-ZFUCPZCZSA-N 0 0 476.955 4.566 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)C2 ZINC001165009832 721704584 /nfs/dbraw/zinc/70/45/84/721704584.db2.gz FEYURTFQMDPMCL-UHFFFAOYSA-N 0 0 489.027 4.701 20 0 JJADRN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCCn4c(CN(C)C(C)C)nnc4C3)n2)cc1 ZINC001165009522 721706724 /nfs/dbraw/zinc/70/67/24/721706724.db2.gz ADWOIMGZLKXULA-UHFFFAOYSA-N 0 0 492.027 4.801 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001165009184 721707612 /nfs/dbraw/zinc/70/76/12/721707612.db2.gz REPSJHOAGNXQMF-UHFFFAOYSA-N 0 0 456.594 4.656 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1cc(-c3ccc(Cl)nc3)ccc1C1OCCCO1)C2 ZINC001165008176 721710346 /nfs/dbraw/zinc/71/03/46/721710346.db2.gz CCGGCXJOVISRQH-UHFFFAOYSA-N 0 0 497.043 4.680 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)C2 ZINC001165008246 721713203 /nfs/dbraw/zinc/71/32/03/721713203.db2.gz DCSVDIYMQPDUGE-UHFFFAOYSA-N 0 0 462.001 4.792 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)C2 ZINC001165009279 721717110 /nfs/dbraw/zinc/71/71/10/721717110.db2.gz RZVQSPKBXJNBCF-UHFFFAOYSA-N 0 0 459.623 4.714 20 0 JJADRN Cc1cc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001165010962 721717814 /nfs/dbraw/zinc/71/78/14/721717814.db2.gz LLEDAYJHDPQBHM-UHFFFAOYSA-N 0 0 467.621 4.961 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165009935 721726352 /nfs/dbraw/zinc/72/63/52/721726352.db2.gz ZWVPLEJGXMUUOS-MHZLTWQESA-N 0 0 481.710 4.783 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(c1nc(CN3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001165007332 721726674 /nfs/dbraw/zinc/72/66/74/721726674.db2.gz BJWRZXZUZBXBKW-HHHXNRCGSA-N 0 0 481.710 4.639 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccnc(Cl)c1)C[C@@H]2c1ccccc1 ZINC001164909092 721739118 /nfs/dbraw/zinc/73/91/18/721739118.db2.gz BCIGLCHZEPOPJI-NFBKMPQASA-N 0 0 454.908 4.702 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c(Cl)n1 ZINC001164911227 721740643 /nfs/dbraw/zinc/74/06/43/721740643.db2.gz IWLLXTBAUSVWFB-RDPSFJRHSA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1nc(Cl)ccc1F)C[C@H]2c1ccccc1 ZINC001164912661 721740914 /nfs/dbraw/zinc/74/09/14/721740914.db2.gz PERMOSNBKKWORH-FDDCHVKYSA-N 0 0 472.898 4.841 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164913092 721741564 /nfs/dbraw/zinc/74/15/64/721741564.db2.gz SLBUDCLTTNHNSZ-NTKDMRAZSA-N 0 0 484.934 4.711 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164907982 721746749 /nfs/dbraw/zinc/74/67/49/721746749.db2.gz FQHXFVATFLYOIB-UHFFFAOYSA-N 0 0 454.308 4.511 20 0 JJADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001165012422 721747789 /nfs/dbraw/zinc/74/77/89/721747789.db2.gz HKVSRSDIKIYWTL-UHFFFAOYSA-N 0 0 480.962 4.609 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001164909368 721752128 /nfs/dbraw/zinc/75/21/28/721752128.db2.gz PQDQGSHKXPODIL-UHFFFAOYSA-N 0 0 459.981 4.904 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001164907963 721752150 /nfs/dbraw/zinc/75/21/50/721752150.db2.gz FCMKCHNFXIWLRA-UHFFFAOYSA-N 0 0 455.896 4.744 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001164911381 721758912 /nfs/dbraw/zinc/75/89/12/721758912.db2.gz VCIZEBJOQROOGX-UHFFFAOYSA-N 0 0 458.566 4.612 20 0 JJADRN COc1ccc(Cc2c(C)nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nc2C)cc1 ZINC001164909637 721764450 /nfs/dbraw/zinc/76/44/50/721764450.db2.gz DWXGKGVRUMCCFH-UHFFFAOYSA-N 0 0 483.616 4.876 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(CSc3ccccc3)n1)C2 ZINC001164912301 721765602 /nfs/dbraw/zinc/76/56/02/721765602.db2.gz XUNLFCCKBPACQI-UHFFFAOYSA-N 0 0 457.603 4.952 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)[C@@H]2C1 ZINC001165014259 721769706 /nfs/dbraw/zinc/76/97/06/721769706.db2.gz BFNBBIYZWBEOST-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)[C@@H]2C1 ZINC001165015757 721771992 /nfs/dbraw/zinc/77/19/92/721771992.db2.gz MKIHMWIWDOQBJW-QFBILLFUSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)[C@@H]2C1 ZINC001165015758 721772378 /nfs/dbraw/zinc/77/23/78/721772378.db2.gz MKIHMWIWDOQBJW-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)[C@@H]2C1 ZINC001165019586 721772520 /nfs/dbraw/zinc/77/25/20/721772520.db2.gz WOARFWREAAHDLF-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165015096 721773527 /nfs/dbraw/zinc/77/35/27/721773527.db2.gz IMTNKXJYLPVFJC-JXFKEZNVSA-N 0 0 488.922 4.685 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165016841 721780996 /nfs/dbraw/zinc/78/09/96/721780996.db2.gz FAGDDSRWBSAJPB-QYZOEREBSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165024609 721783653 /nfs/dbraw/zinc/78/36/53/721783653.db2.gz YDLXKCSANSUIIF-HSZRJFAPSA-N 0 0 469.923 4.760 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001165023741 721785420 /nfs/dbraw/zinc/78/54/20/721785420.db2.gz UPACORCAPXYCJW-QHCPKHFHSA-N 0 0 487.913 4.900 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]2CN1c1cccnc1 ZINC001165025745 721792549 /nfs/dbraw/zinc/79/25/49/721792549.db2.gz XAFQIGIDAKOUEC-AUUYWEPGSA-N 0 0 458.871 4.580 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001165019808 721793733 /nfs/dbraw/zinc/79/37/33/721793733.db2.gz KAHZFFKXCJRTNB-UYAOXDASSA-N 0 0 483.950 4.960 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)N(c5cccnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001165019804 721793845 /nfs/dbraw/zinc/79/38/45/721793845.db2.gz KAHZFFKXCJRTNB-QUCCMNQESA-N 0 0 483.950 4.960 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164917330 721802649 /nfs/dbraw/zinc/80/26/49/721802649.db2.gz VALHRVJABUHMSN-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1Cl ZINC001164915423 721802733 /nfs/dbraw/zinc/80/27/33/721802733.db2.gz KGIFDHRZQQBZSD-KRWDZBQOSA-N 0 0 461.916 4.534 20 0 JJADRN c1nc2c(c(C3CC3)n1)CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164916502 721803920 /nfs/dbraw/zinc/80/39/20/721803920.db2.gz PNMJWBGEQMRKJW-UHFFFAOYSA-N 0 0 474.678 4.829 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164918052 721806316 /nfs/dbraw/zinc/80/63/16/721806316.db2.gz ZXLSAJMUWBLTDE-FOIQADDNSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164918054 721806366 /nfs/dbraw/zinc/80/63/66/721806366.db2.gz ZXLSAJMUWBLTDE-QRWLVFNGSA-N 0 0 467.303 4.693 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917323 721806931 /nfs/dbraw/zinc/80/69/31/721806931.db2.gz UXYYZCGCWGKVCJ-QFQXNSOFSA-N 0 0 479.650 4.506 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164917657 721807937 /nfs/dbraw/zinc/80/79/37/721807937.db2.gz OINRGXNSKDZXTR-CVDCTZTESA-N 0 0 488.922 4.562 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164919546 721807941 /nfs/dbraw/zinc/80/79/41/721807941.db2.gz ZHNGGSLONBNDRV-PGRDOPGGSA-N 0 0 476.886 4.693 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918271 721808025 /nfs/dbraw/zinc/80/80/25/721808025.db2.gz QEYOGEIZORFOBH-SBUREZEXSA-N 0 0 488.922 4.562 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164918552 721809038 /nfs/dbraw/zinc/80/90/38/721809038.db2.gz RIFNCGSFNRCNFI-PVXIVEMSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919159 721810540 /nfs/dbraw/zinc/81/05/40/721810540.db2.gz VYTSIVZYSBYYDP-LLGFUMIMSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915858 721811074 /nfs/dbraw/zinc/81/10/74/721811074.db2.gz CTETZHROTSURIM-OZOXKJRCSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915394 721811083 /nfs/dbraw/zinc/81/10/83/721811083.db2.gz AGHFDPRTBSKGJK-DKZVUGQWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164916448 721811453 /nfs/dbraw/zinc/81/14/53/721811453.db2.gz HRBHOOHYRNVQGQ-NBHGPNQESA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164918858 721811701 /nfs/dbraw/zinc/81/17/01/721811701.db2.gz UGRRRLPPRBLPIG-URLQWDBASA-N 0 0 455.958 4.512 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164918098 721821099 /nfs/dbraw/zinc/82/10/99/721821099.db2.gz BJFBQFVBAHCVBP-UHFFFAOYSA-N 0 0 459.381 4.522 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164922201 721836052 /nfs/dbraw/zinc/83/60/52/721836052.db2.gz GAWPWTOBWXRUMI-BTYIYWSLSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164928156 721837572 /nfs/dbraw/zinc/83/75/72/721837572.db2.gz WXRMKZYLFAYFDK-HTAPYJJXSA-N 0 0 475.927 4.594 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164924587 721838217 /nfs/dbraw/zinc/83/82/17/721838217.db2.gz NIUWRBQUZIBYRX-QKKBWIMNSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164927258 721838511 /nfs/dbraw/zinc/83/85/11/721838511.db2.gz TWFRRWQKJOAPLG-QVKFZJNVSA-N 0 0 481.330 4.546 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164922031 721841316 /nfs/dbraw/zinc/84/13/16/721841316.db2.gz PTWBZCXGWUZHNN-SBUREZEXSA-N 0 0 490.913 4.546 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164919306 721841394 /nfs/dbraw/zinc/84/13/94/721841394.db2.gz AGKMSYKXEUHWEK-JTSKRJEESA-N 0 0 461.896 4.605 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@H]21)NC1CCC1 ZINC001164933432 721897380 /nfs/dbraw/zinc/89/73/80/721897380.db2.gz LZBDAXJCICTIAJ-AQKFKSFVSA-N 0 0 493.957 4.986 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926529 721898797 /nfs/dbraw/zinc/89/87/97/721898797.db2.gz COPWJRRWXRHVHM-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN 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Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C[C@@H]21 ZINC001164941524 721941197 /nfs/dbraw/zinc/94/11/97/721941197.db2.gz ICNIYNBRBLVHHN-SVBPBHIXSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C[C@H]21 ZINC001164941955 721944617 /nfs/dbraw/zinc/94/46/17/721944617.db2.gz JFUMCRZKOWVQID-JWQCQUIFSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164942497 721956429 /nfs/dbraw/zinc/95/64/29/721956429.db2.gz DYBCTMBYYYMFQA-MOPGFXCFSA-N 0 0 493.658 4.603 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]21 ZINC001164942626 721960671 /nfs/dbraw/zinc/96/06/71/721960671.db2.gz FEFNQROINXKBAF-FGZHOGPDSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]21 ZINC001164947472 721960707 /nfs/dbraw/zinc/96/07/07/721960707.db2.gz PYZBVFSYYKQINS-FGZHOGPDSA-N 0 0 492.929 4.780 20 0 JJADRN 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CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]12 ZINC001164947931 721966528 /nfs/dbraw/zinc/96/65/28/721966528.db2.gz SBPCPEQVIYQJCV-REWPJTCUSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@@H]12 ZINC001164950281 721967715 /nfs/dbraw/zinc/96/77/15/721967715.db2.gz ZZGCAGVDVXXMBX-NFBKMPQASA-N 0 0 456.924 4.597 20 0 JJADRN COC[C@@]12COC[C@@H]1CN(c1nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948184 721995181 /nfs/dbraw/zinc/99/51/81/721995181.db2.gz FBHOZHDSGFNRNU-BVZFJXPGSA-N 0 0 484.691 4.751 20 0 JJADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164950804 721999811 /nfs/dbraw/zinc/99/98/11/721999811.db2.gz JRFBMHIMNJKHJZ-YFVAEKQCSA-N 0 0 490.963 4.570 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]21 ZINC001164950461 722004884 /nfs/dbraw/zinc/00/48/84/722004884.db2.gz CMKSIBDZNUMLKG-ROUUACIJSA-N 0 0 478.934 4.914 20 0 JJADRN 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ZINC001164964766 722026803 /nfs/dbraw/zinc/02/68/03/722026803.db2.gz YGDSNBYKQMNPCZ-UGKGYDQZSA-N 0 0 466.960 4.587 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c1 ZINC001164960588 722026811 /nfs/dbraw/zinc/02/68/11/722026811.db2.gz LBEVOFPUJCAFNN-UNMCSNQZSA-N 0 0 451.945 4.884 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1Cl ZINC001164963394 722026819 /nfs/dbraw/zinc/02/68/19/722026819.db2.gz SSBWXZDFTOWLIS-IFMALSPDSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)n1 ZINC001164964997 722027441 /nfs/dbraw/zinc/02/74/41/722027441.db2.gz YUWLPYHNYCBBIZ-FYYLOGMGSA-N 0 0 478.971 4.848 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164958624 722029729 /nfs/dbraw/zinc/02/97/29/722029729.db2.gz OZZWIWRJAZQRMV-ZCNNSNEGSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164956903 722029815 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LMOVKDHSUDNUFX-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)cc1 ZINC001164960480 722050508 /nfs/dbraw/zinc/05/05/08/722050508.db2.gz PBIQKZPVGLDWRO-UHFFFAOYSA-N 0 0 459.859 4.882 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164960454 722050759 /nfs/dbraw/zinc/05/07/59/722050759.db2.gz NXBFTZLMGYCZEV-UHFFFAOYSA-N 0 0 459.859 4.882 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164960473 722051026 /nfs/dbraw/zinc/05/10/26/722051026.db2.gz OTKFWTGNQAUNAX-UHFFFAOYSA-N 0 0 471.895 4.751 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164966059 722064819 /nfs/dbraw/zinc/06/48/19/722064819.db2.gz NSWGRUNFTBLDSB-MOPGFXCFSA-N 0 0 476.936 4.777 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164964840 722066501 /nfs/dbraw/zinc/06/65/01/722066501.db2.gz CZNYSTWKEQJMIF-UHFFFAOYSA-N 0 0 491.995 4.789 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164967304 722078301 /nfs/dbraw/zinc/07/83/01/722078301.db2.gz ALVNVPGFRUVXKS-UHFFFAOYSA-N 0 0 477.342 4.941 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969471 722080189 /nfs/dbraw/zinc/08/01/89/722080189.db2.gz KTZBZYPROMCQDD-AKIFATBCSA-N 0 0 485.966 4.659 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164970814 722081305 /nfs/dbraw/zinc/08/13/05/722081305.db2.gz SFMYPJBVMQSKJI-JCTONOIOSA-N 0 0 499.993 4.968 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968576 722081976 /nfs/dbraw/zinc/08/19/76/722081976.db2.gz CJLGUQOEJVMOCN-UNMCSNQZSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164970211 722082140 /nfs/dbraw/zinc/08/21/40/722082140.db2.gz OJIMLMQOUMCCLC-TZIWHRDSSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164970550 722082624 /nfs/dbraw/zinc/08/26/24/722082624.db2.gz YVSITTLDHNDLSH-CTNGQTDRSA-N 0 0 479.930 4.550 20 0 JJADRN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970638 722082822 /nfs/dbraw/zinc/08/28/22/722082822.db2.gz ZOOLRTNBSFTJRZ-UHFFFAOYSA-N 0 0 494.285 4.886 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968363 722082954 /nfs/dbraw/zinc/08/29/54/722082954.db2.gz CAPUXKXRAXVXOU-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1 ZINC001164970703 722085568 /nfs/dbraw/zinc/08/55/68/722085568.db2.gz FZGPOABPGNXSAE-PMACEKPBSA-N 0 0 493.721 4.687 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]2C1 ZINC001164971500 722085732 /nfs/dbraw/zinc/08/57/32/722085732.db2.gz IWMBGPJRKFXIMT-RTBURBONSA-N 0 0 475.967 4.990 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164978450 722086125 /nfs/dbraw/zinc/08/61/25/722086125.db2.gz YYFFHENIOIXHCM-ROUUACIJSA-N 0 0 460.956 4.781 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164971529 722086160 /nfs/dbraw/zinc/08/61/60/722086160.db2.gz JMGCWPLAGBEAEE-BCDXTJNWSA-N 0 0 460.956 4.781 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C[C@H]2C1 ZINC001164974803 722086195 /nfs/dbraw/zinc/08/61/95/722086195.db2.gz QTUXSBZCBRBKOB-HZPDHXFCSA-N 0 0 464.919 4.612 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(Cn5cccn5)nnc4C3)cnc2Cl)c1 ZINC001164978457 722089287 /nfs/dbraw/zinc/08/92/87/722089287.db2.gz WTVKZKARZZVCEA-UHFFFAOYSA-N 0 0 469.927 4.502 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2c2ccccc21 ZINC001164976881 722090467 /nfs/dbraw/zinc/09/04/67/722090467.db2.gz UHPFCVUQUHOAHR-PWSUYJOCSA-N 0 0 482.767 4.586 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164971763 722091870 /nfs/dbraw/zinc/09/18/70/722091870.db2.gz CBIAQAZMMAPIHY-INIZCTEOSA-N 0 0 464.944 4.848 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164971764 722091901 /nfs/dbraw/zinc/09/19/01/722091901.db2.gz CBIAQAZMMAPIHY-MRXNPFEDSA-N 0 0 464.944 4.848 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]21 ZINC001164985804 722097486 /nfs/dbraw/zinc/09/74/86/722097486.db2.gz WYETXLHLFNAYFI-ZHALLVOQSA-N 0 0 475.902 4.513 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)c1 ZINC001164980091 722097879 /nfs/dbraw/zinc/09/78/79/722097879.db2.gz JGNZSLDVZCFQBA-NUJGCVRESA-N 0 0 452.958 4.548 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]21 ZINC001164979055 722098097 /nfs/dbraw/zinc/09/80/97/722098097.db2.gz GXWRZZWCDYFUEC-TXTKFYIRSA-N 0 0 483.950 4.888 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c1 ZINC001164976307 722161279 /nfs/dbraw/zinc/16/12/79/722161279.db2.gz WPUNOLTYIDKRDQ-UHFFFAOYSA-N 0 0 489.950 4.751 20 0 JJADRN Clc1nc2c(c(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164977608 722164638 /nfs/dbraw/zinc/16/46/38/722164638.db2.gz GEWQXMAUKLZSGQ-WXVAWEFUSA-N 0 0 483.056 4.981 20 0 JJADRN Clc1nc2c(c(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164977595 722164647 /nfs/dbraw/zinc/16/46/47/722164647.db2.gz GEWQXMAUKLZSGQ-AJTFRIOCSA-N 0 0 483.056 4.981 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164974363 722165296 /nfs/dbraw/zinc/16/52/96/722165296.db2.gz FNWNYBUOGKIXER-BEFAXECRSA-N 0 0 450.357 4.749 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)nc1Cl ZINC001164978764 722170196 /nfs/dbraw/zinc/17/01/96/722170196.db2.gz SFFSZDCPJSMEBJ-QRVBRYPASA-N 0 0 463.912 4.553 20 0 JJADRN c1ccc(CN2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980472 722170563 /nfs/dbraw/zinc/17/05/63/722170563.db2.gz YIYFPBZRWUPMLE-GTNKKZTPSA-N 0 0 452.602 4.736 20 0 JJADRN COc1cccc2c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(Cl)nc12 ZINC001164988014 722174115 /nfs/dbraw/zinc/17/41/15/722174115.db2.gz QGPNPSJKZIERFV-ICSRJNTNSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)CC[C@H]32)cs1 ZINC001164987094 722175608 /nfs/dbraw/zinc/17/56/08/722175608.db2.gz MLPLMAHMPIWZTO-HZPDHXFCSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)CC[C@@H]32)cs1 ZINC001164987092 722175775 /nfs/dbraw/zinc/17/57/75/722175775.db2.gz MLPLMAHMPIWZTO-HOTGVXAUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)cnc4Cl)CC[C@@H]32)cs1 ZINC001164983645 722175996 /nfs/dbraw/zinc/17/59/96/722175996.db2.gz BZGXRQSFEJZPBY-IRXDYDNUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]32)cs1 ZINC001164987459 722178535 /nfs/dbraw/zinc/17/85/35/722178535.db2.gz NQJXYPKYMALMNX-FGZHOGPDSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5scc(-c6ccccc6)c54)CC[C@@H]32)cs1 ZINC001164987462 722178557 /nfs/dbraw/zinc/17/85/57/722178557.db2.gz NQJXYPKYMALMNX-VXKWHMMOSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5scc(-c6ccccc6)c54)CC[C@@H]32)cs1 ZINC001164987457 722178564 /nfs/dbraw/zinc/17/85/64/722178564.db2.gz NQJXYPKYMALMNX-FCHUYYIVSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(-c5ccccc5)nc5ccccc54)CC[C@H]32)cs1 ZINC001164994572 722179971 /nfs/dbraw/zinc/17/99/71/722179971.db2.gz ZHZXHMDZBAGVBK-RPBOFIJWSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccccc5)nc5ccccc54)CC[C@H]32)cs1 ZINC001164994568 722180012 /nfs/dbraw/zinc/18/00/12/722180012.db2.gz ZHZXHMDZBAGVBK-JWQCQUIFSA-N 0 0 471.630 4.932 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)CC[C@@H]32)cs1 ZINC001164993553 722181220 /nfs/dbraw/zinc/18/12/20/722181220.db2.gz WLSYXBHWMBTWPC-RBUKOAKNSA-N 0 0 497.974 4.602 20 0 JJADRN COc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164987175 722181334 /nfs/dbraw/zinc/18/13/34/722181334.db2.gz HEGOLRUOTSOCBC-UNMCSNQZSA-N 0 0 459.015 4.532 20 0 JJADRN COc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c2cc(Cl)ccc12 ZINC001164990002 722181805 /nfs/dbraw/zinc/18/18/05/722181805.db2.gz NFXNNPGYNVGXPI-NHCUHLMSSA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164993080 722184975 /nfs/dbraw/zinc/18/49/75/722184975.db2.gz YTVJMIAAJHTSTL-UXHICEINSA-N 0 0 457.688 4.706 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CC[C@@H]32)cs1 ZINC001164985604 722185086 /nfs/dbraw/zinc/18/50/86/722185086.db2.gz BJQYIPCCBJTXBF-ICSRJNTNSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccccc5nc4N4CCCC[C@@H]4C)CC[C@@H]32)cs1 ZINC001164993006 722185098 /nfs/dbraw/zinc/18/50/98/722185098.db2.gz YMVDIIIUGFMKTQ-PNTFMKQHSA-N 0 0 492.693 4.643 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5sc6c(c54)CCCCC6)CC[C@H]32)cs1 ZINC001164987290 722185291 /nfs/dbraw/zinc/18/52/91/722185291.db2.gz JGWSMQGNYUJCLP-RTWAWAEBSA-N 0 0 483.707 4.903 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(-c5ccsc5)nc5ccccc54)CC[C@H]32)cs1 ZINC001164985720 722185338 /nfs/dbraw/zinc/18/53/38/722185338.db2.gz CBWMTOHMQAKDQR-PKTZIBPZSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5ccc(Cl)nn5)ccc4F)CC[C@H]32)cs1 ZINC001164991281 722185738 /nfs/dbraw/zinc/18/57/38/722185738.db2.gz SVIMYKIHJWTDQV-IFMALSPDSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC[C@H]32)cs1 ZINC001164989008 722185978 /nfs/dbraw/zinc/18/59/78/722185978.db2.gz NSMZUPXKYBMGFG-MOPGFXCFSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)cc(C5CCCCC5)n4)CC[C@@H]32)cs1 ZINC001164986634 722186468 /nfs/dbraw/zinc/18/64/68/722186468.db2.gz GBBRDANZWHBAQU-LEWJYISDSA-N 0 0 462.063 4.812 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)CC[C@@H]32)cs1 ZINC001164986828 722186746 /nfs/dbraw/zinc/18/67/46/722186746.db2.gz HNFBSWKLOFWKAY-PMACEKPBSA-N 0 0 469.001 4.792 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]12 ZINC001164992599 722187159 /nfs/dbraw/zinc/18/71/59/722187159.db2.gz UQMNKKSKPBPBEE-FYYLOGMGSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164992476 722187577 /nfs/dbraw/zinc/18/75/77/722187577.db2.gz TXYJTIBJXVPEHA-SFHVURJKSA-N 0 0 451.945 4.535 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164988777 722187809 /nfs/dbraw/zinc/18/78/09/722187809.db2.gz GIACXDXQYCSUEX-SFHVURJKSA-N 0 0 467.944 4.641 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001164990599 722188961 /nfs/dbraw/zinc/18/89/61/722188961.db2.gz LJBNDTLIUPSUPI-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)c2cc(C)ccc21 ZINC001164989854 722189705 /nfs/dbraw/zinc/18/97/05/722189705.db2.gz QFYLVPQWPAOFQV-UHFFFAOYSA-N 0 0 483.950 4.950 20 0 JJADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)C3)c1 ZINC001164998295 722211608 /nfs/dbraw/zinc/21/16/08/722211608.db2.gz VMDOVIXXDDKGQP-NRFANRHFSA-N 0 0 463.891 4.714 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)[C@H]2C1 ZINC001164998246 722214596 /nfs/dbraw/zinc/21/45/96/722214596.db2.gz VIKSYCYQXSZZBZ-IGNZVWTISA-N 0 0 458.336 4.595 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)[C@@H]2C1 ZINC001164998248 722214660 /nfs/dbraw/zinc/21/46/60/722214660.db2.gz VIKSYCYQXSZZBZ-JBBXEZCESA-N 0 0 458.336 4.595 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164998250 722214704 /nfs/dbraw/zinc/21/47/04/722214704.db2.gz VIKSYCYQXSZZBZ-RZAIGCCYSA-N 0 0 458.336 4.595 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)[C@H]2C1 ZINC001164995555 722216584 /nfs/dbraw/zinc/21/65/84/722216584.db2.gz JREVDQUYVQAEJV-GKCIPKSASA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)[C@@H]2C1 ZINC001164994742 722217328 /nfs/dbraw/zinc/21/73/28/722217328.db2.gz CYDZJBUQXBLMCP-IAOVAPTHSA-N 0 0 455.958 4.517 20 0 JJADRN O=C1C[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999009 722220609 /nfs/dbraw/zinc/22/06/09/722220609.db2.gz NUFQIDZYOSZRIF-QFIPXVFZSA-N 0 0 461.896 4.519 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164999914 722220622 /nfs/dbraw/zinc/22/06/22/722220622.db2.gz TYFCAEJDROTOQH-UHFFFAOYSA-N 0 0 461.915 4.880 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)nc1Cl ZINC001164998019 722220800 /nfs/dbraw/zinc/22/08/00/722220800.db2.gz GOGDOMSKENMTBT-UHFFFAOYSA-N 0 0 473.951 4.750 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164998382 722221013 /nfs/dbraw/zinc/22/10/13/722221013.db2.gz JCDPWQCMLCYDCR-GOSISDBHSA-N 0 0 467.347 4.908 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1Cl ZINC001164998264 722221166 /nfs/dbraw/zinc/22/11/66/722221166.db2.gz HURHMRGORZINGS-FQEVSTJZSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164999483 722221321 /nfs/dbraw/zinc/22/13/21/722221321.db2.gz RWBMMIGLNREJFV-NRFANRHFSA-N 0 0 461.940 4.782 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1Cl ZINC001164998010 722221404 /nfs/dbraw/zinc/22/14/04/722221404.db2.gz GIDITVSDRWLIOH-HXUWFJFHSA-N 0 0 461.940 4.869 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164999306 722221546 /nfs/dbraw/zinc/22/15/46/722221546.db2.gz QFQBNNWPZQLIOP-RDPSFJRHSA-N 0 0 494.945 4.515 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164999287 722221646 /nfs/dbraw/zinc/22/16/46/722221646.db2.gz PYRWPSZGQLGXMP-IBGZPJMESA-N 0 0 471.939 4.736 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164999098 722225006 /nfs/dbraw/zinc/22/50/06/722225006.db2.gz IBVOWXXMLKIFSB-YADHBBJMSA-N 0 0 494.945 4.673 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)[C@H]1Cc1cnn(C)c1 ZINC001164998444 722225719 /nfs/dbraw/zinc/22/57/19/722225719.db2.gz CIQLPTVXZTVGOD-FCHUYYIVSA-N 0 0 483.003 4.914 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001165000915 722226557 /nfs/dbraw/zinc/22/65/57/722226557.db2.gz WCFQUAPYQDNQHN-INIZCTEOSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164998696 722226773 /nfs/dbraw/zinc/22/67/73/722226773.db2.gz DKOLIOUMMBUMFV-MRXNPFEDSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)n1 ZINC001165000150 722227622 /nfs/dbraw/zinc/22/76/22/722227622.db2.gz QXRPKWUKNKLCRX-FQEVSTJZSA-N 0 0 488.970 4.864 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CCO2 ZINC001165002484 722249446 /nfs/dbraw/zinc/24/94/46/722249446.db2.gz YZGNGNDDPCVGLY-OAQYLSRUSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)CCO2 ZINC001165000314 722249751 /nfs/dbraw/zinc/24/97/51/722249751.db2.gz GUNHBOYQUWKSKY-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CCO2 ZINC001165002081 722250364 /nfs/dbraw/zinc/25/03/64/722250364.db2.gz VSSGQIHPSJZFJY-QHCPKHFHSA-N 0 0 479.955 4.653 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H](OCC4CC4)[C@H]3Cc3ccccc3)c2c1C ZINC001165005688 722272079 /nfs/dbraw/zinc/27/20/79/722272079.db2.gz ISLSCPYERMOSJS-RPWUZVMVSA-N 0 0 492.689 4.757 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@H](OCC3CC3)[C@@H]2Cc2ccccc2)cnc1Cl ZINC001165004866 722272301 /nfs/dbraw/zinc/27/23/01/722272301.db2.gz DDVXPKIDOYTOCL-PMACEKPBSA-N 0 0 484.996 4.690 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)cs1 ZINC001165006368 722272502 /nfs/dbraw/zinc/27/25/02/722272502.db2.gz NVLXPPGXEWCJOH-QGZVFWFLSA-N 0 0 480.968 4.938 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)CC3)cs1 ZINC001165005780 722272675 /nfs/dbraw/zinc/27/26/75/722272675.db2.gz JXTWCHSQIWBEMK-HNNXBMFYSA-N 0 0 468.957 4.871 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)cs1 ZINC001165007357 722272974 /nfs/dbraw/zinc/27/29/74/722272974.db2.gz VESCGNVSFJQGMA-AWEZNQCLSA-N 0 0 479.380 4.524 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009881 722273472 /nfs/dbraw/zinc/27/34/72/722273472.db2.gz RDNFAUBBWDQOTR-YXKFXFPPSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009581 722274488 /nfs/dbraw/zinc/27/44/88/722274488.db2.gz QAWFUDGGKMABNR-OFSQETHSSA-N 0 0 487.938 4.626 20 0 JJADRN CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCc1ccccc1C(F)(F)F ZINC001359712099 1064260476 /nfs/dbraw/zinc/26/04/76/1064260476.db2.gz GAFZKGUAVIHUES-UHFFFAOYSA-N 0 0 463.470 4.737 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359712424 1064261070 /nfs/dbraw/zinc/26/10/70/1064261070.db2.gz REHWUFOXKFXRMI-UHFFFAOYSA-N 0 0 494.949 4.955 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3nccs3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359712325 1064261109 /nfs/dbraw/zinc/26/11/09/1064261109.db2.gz NZRBRNAYIWZDEO-UHFFFAOYSA-N 0 0 450.534 4.642 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001545851604 1064261851 /nfs/dbraw/zinc/26/18/51/1064261851.db2.gz GTLWAZFVFPSWNH-AVRDEDQJSA-N 0 0 489.611 4.988 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359713482 1064261988 /nfs/dbraw/zinc/26/19/88/1064261988.db2.gz OHAGEGICTSTYCG-UHFFFAOYSA-N 0 0 493.555 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCc1csc(C(C)(C)C)n1 ZINC001545851292 1064261929 /nfs/dbraw/zinc/26/19/29/1064261929.db2.gz BIAIYDJIXFTEFH-DLBZAZTESA-N 0 0 460.692 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1Cc1ccc(F)cc1F ZINC001545851650 1064261950 /nfs/dbraw/zinc/26/19/50/1064261950.db2.gz HHBBMYZJHYWOOL-VFNWGFHPSA-N 0 0 489.592 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545852047 1064262339 /nfs/dbraw/zinc/26/23/39/1064262339.db2.gz NEWWRMOJTFVXFH-DVECYGJZSA-N 0 0 497.684 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1CC(C)(C)C1 ZINC001545852141 1064262356 /nfs/dbraw/zinc/26/23/56/1064262356.db2.gz OHLFSAUCTWORCX-GCJKJVERSA-N 0 0 453.631 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545852048 1064262364 /nfs/dbraw/zinc/26/23/64/1064262364.db2.gz NEWWRMOJTFVXFH-NTKDMRAZSA-N 0 0 497.684 4.564 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359714064 1064262428 /nfs/dbraw/zinc/26/24/28/1064262428.db2.gz JLDBKBGCGLNQSP-PZJWPPBQSA-N 0 0 456.635 4.682 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCc1ccc(Cl)s1 ZINC001359713763 1064262442 /nfs/dbraw/zinc/26/24/42/1064262442.db2.gz XLXCWGOYKMEDIB-UHFFFAOYSA-N 0 0 450.052 4.588 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C/C=C/c1ccccc1 ZINC001545852424 1064262704 /nfs/dbraw/zinc/26/27/04/1064262704.db2.gz SQKYWUKDEAWPIM-PYPWCQRTSA-N 0 0 479.650 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1Cc1cc(F)ccc1F ZINC001545852487 1064262744 /nfs/dbraw/zinc/26/27/44/1064262744.db2.gz UHHHQZJLHAWVQM-YCRPNKLZSA-N 0 0 489.592 4.551 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCc1nc2c(s1)CCCC2 ZINC001359715318 1064263361 /nfs/dbraw/zinc/26/33/61/1064263361.db2.gz XIHCIPBFWOWYNX-GOSISDBHSA-N 0 0 488.702 4.815 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001359715359 1064263657 /nfs/dbraw/zinc/26/36/57/1064263657.db2.gz YLNHKDLUKDUHQA-PMACEKPBSA-N 0 0 461.651 4.729 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001545855458 1064264022 /nfs/dbraw/zinc/26/40/22/1064264022.db2.gz WIWNXIBYNYEAFQ-HOTGVXAUSA-N 0 0 494.503 4.532 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1Cc1ccc(F)cc1F ZINC001545856660 1064264858 /nfs/dbraw/zinc/26/48/58/1064264858.db2.gz GANUNLFJNBWJPN-UHFFFAOYSA-N 0 0 471.552 4.705 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359716215 1064265289 /nfs/dbraw/zinc/26/52/89/1064265289.db2.gz ZCEVZYDBRBHKHL-UUOWRZLLSA-N 0 0 474.074 4.907 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN(CC)C(=O)OC(C)(C)C ZINC001545856924 1064265525 /nfs/dbraw/zinc/26/55/25/1064265525.db2.gz KZFMXQJVHCLSGQ-FQEVSTJZSA-N 0 0 490.693 4.613 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC1(CCOC)CCC1 ZINC001545856967 1064265550 /nfs/dbraw/zinc/26/55/50/1064265550.db2.gz MHEZSZKGJSPFEW-UHFFFAOYSA-N 0 0 471.646 4.585 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545857404 1064265976 /nfs/dbraw/zinc/26/59/76/1064265976.db2.gz VUKJVRUBJCCPDW-JKSUJKDBSA-N 0 0 474.447 4.915 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1Cc1ccc(OC)c(F)c1 ZINC001545857592 1064266415 /nfs/dbraw/zinc/26/64/15/1064266415.db2.gz ZMNXKGTVAAGOJC-LJQANCHMSA-N 0 0 457.594 4.552 20 0 JJADRN C[C@@H](CONC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545858722 1064266870 /nfs/dbraw/zinc/26/68/70/1064266870.db2.gz WBNSILVHPYRGPF-INIZCTEOSA-N 0 0 455.530 4.868 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359719688 1064267254 /nfs/dbraw/zinc/26/72/54/1064267254.db2.gz UEKKBDQTMFWSGV-KRWDZBQOSA-N 0 0 496.578 4.870 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1Cc1nnc(C(C)(C)C)s1 ZINC001545859613 1064267930 /nfs/dbraw/zinc/26/79/30/1064267930.db2.gz PZKUIQOMFWJPMP-WMZOPIPTSA-N 0 0 473.691 4.553 20 0 JJADRN CC(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359722469 1064268478 /nfs/dbraw/zinc/26/84/78/1064268478.db2.gz UZTNZSYIFGZUAV-STQMWFEESA-N 0 0 450.431 4.931 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001545860035 1064268566 /nfs/dbraw/zinc/26/85/66/1064268566.db2.gz ZDZZTWFBZAOJLT-QGZVFWFLSA-N 0 0 492.624 4.604 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001545860957 1064268945 /nfs/dbraw/zinc/26/89/45/1064268945.db2.gz LHZRYTJOOSZJDV-DEOSSOPVSA-N 0 0 481.641 4.545 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCC1CCOCC1 ZINC001359722703 1064269017 /nfs/dbraw/zinc/26/90/17/1064269017.db2.gz ASKSLCGDNQWGLK-HXUWFJFHSA-N 0 0 452.521 4.815 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCOCC1CCOCC1 ZINC001359722863 1064269166 /nfs/dbraw/zinc/26/91/66/1064269166.db2.gz DYRVIZFIVBWXOG-JOCHJYFZSA-N 0 0 496.574 4.832 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359722904 1064269176 /nfs/dbraw/zinc/26/91/76/1064269176.db2.gz FSVYEMZGVRORTO-INIZCTEOSA-N 0 0 469.508 4.837 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359722800 1064269251 /nfs/dbraw/zinc/26/92/51/1064269251.db2.gz CIAGODSJSAZBNS-QFIPXVFZSA-N 0 0 485.604 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCN1CCc2ccccc21 ZINC001545862173 1064269540 /nfs/dbraw/zinc/26/95/40/1064269540.db2.gz BVFBLSPLDHBIRO-OAQYLSRUSA-N 0 0 466.674 4.522 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1Cc1cccs1 ZINC001545861227 1064269613 /nfs/dbraw/zinc/26/96/13/1064269613.db2.gz VMSODVSTTPLPIL-UHFFFAOYSA-N 0 0 483.613 4.545 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1Cc1cccnc1OCC(F)F ZINC001359723184 1064269703 /nfs/dbraw/zinc/26/97/03/1064269703.db2.gz LWGAGXCPFIRYBI-IBGZPJMESA-N 0 0 495.933 4.859 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001359723075 1064269745 /nfs/dbraw/zinc/26/97/45/1064269745.db2.gz JLDISXGBJVAELZ-DBVUQKKJSA-N 0 0 452.521 4.549 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)cc1 ZINC001545861442 1064269691 /nfs/dbraw/zinc/26/96/91/1064269691.db2.gz DLKWTJQYZMXDAB-YSZBQJHXSA-N 0 0 452.551 4.544 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCn1c(C)nc2ccccc21 ZINC001545862489 1064270288 /nfs/dbraw/zinc/27/02/88/1064270288.db2.gz KNHRZQFUFDKLCH-HXUWFJFHSA-N 0 0 479.673 4.817 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001545862410 1064270306 /nfs/dbraw/zinc/27/03/06/1064270306.db2.gz IMZXBKWFRIBRQP-ROUUACIJSA-N 0 0 459.610 4.676 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359723665 1064270640 /nfs/dbraw/zinc/27/06/40/1064270640.db2.gz WLEZUIQHKREYNJ-NRFANRHFSA-N 0 0 475.540 4.609 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1C[C@H]1CCCS1 ZINC001359723642 1064270717 /nfs/dbraw/zinc/27/07/17/1064270717.db2.gz WCEPKMPOHJZFRD-QZTJIDSGSA-N 0 0 451.434 4.638 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1(c2ccccn2)CCC1 ZINC001545862982 1064271485 /nfs/dbraw/zinc/27/14/85/1064271485.db2.gz YIMYSGGUGLNFFN-LJQANCHMSA-N 0 0 452.647 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1cc2ccccc2[nH]1 ZINC001545864249 1064271722 /nfs/dbraw/zinc/27/17/22/1064271722.db2.gz NCUUXHHRIFFBBP-UHFFFAOYSA-N 0 0 476.547 4.699 20 0 JJADRN CC(C)(C)c1ccc(C2(NC(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC001545863265 1064271927 /nfs/dbraw/zinc/27/19/27/1064271927.db2.gz IIQPEVZIKKITQL-YTTGMZPUSA-N 0 0 455.620 4.839 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359723943 1064271938 /nfs/dbraw/zinc/27/19/38/1064271938.db2.gz CKDXRJYAYQAFHN-NSHGMRRFSA-N 0 0 452.521 4.979 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545864585 1064272425 /nfs/dbraw/zinc/27/24/25/1064272425.db2.gz WGXWEJRDCFFJDN-UHFFFAOYSA-N 0 0 495.546 4.531 20 0 JJADRN CC(C)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359725696 1064272851 /nfs/dbraw/zinc/27/28/51/1064272851.db2.gz PYBKCFRSTVPAIN-UHFFFAOYSA-N 0 0 467.536 4.824 20 0 JJADRN CC(C)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359725249 1064272931 /nfs/dbraw/zinc/27/29/31/1064272931.db2.gz DPWIPANAAXNIGE-IBGZPJMESA-N 0 0 452.521 4.796 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359725743 1064273005 /nfs/dbraw/zinc/27/30/05/1064273005.db2.gz RMOKNSCVVHWCBG-AKIFATBCSA-N 0 0 456.631 4.527 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccncc1C ZINC001545865225 1064273144 /nfs/dbraw/zinc/27/31/44/1064273144.db2.gz SRPQMOOOBCICBP-MUUNZHRXSA-N 0 0 457.574 4.756 20 0 JJADRN CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1Oc1cccc(F)c1 ZINC001359727165 1064273713 /nfs/dbraw/zinc/27/37/13/1064273713.db2.gz KUCGMTQZLCZEJP-HXUWFJFHSA-N 0 0 496.587 4.880 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001545865596 1064273767 /nfs/dbraw/zinc/27/37/67/1064273767.db2.gz GXGRJNFUIPCQCB-XMMPIXPASA-N 0 0 460.692 4.820 20 0 JJADRN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[C@H]1CCCCO1 ZINC001359727266 1064274201 /nfs/dbraw/zinc/27/42/01/1064274201.db2.gz OAUIMMQUKKALHB-HBMCJLEFSA-N 0 0 461.651 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001545865784 1064274277 /nfs/dbraw/zinc/27/42/77/1064274277.db2.gz MLAOZJAKFPKZNG-AFMDSPMNSA-N 0 0 453.631 4.779 20 0 JJADRN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCc1ccc(F)cc1 ZINC001359727459 1064274275 /nfs/dbraw/zinc/27/42/75/1064274275.db2.gz VLRJRDIKVLWOOH-FPOVZHCZSA-N 0 0 457.594 4.619 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCSC1 ZINC001359727781 1064274803 /nfs/dbraw/zinc/27/48/03/1064274803.db2.gz GRVLBNKZULQCRU-XUVXKRRUSA-N 0 0 463.692 4.674 20 0 JJADRN CC(C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1Cc1ccccc1OCC(F)(F)F ZINC001359728030 1064274916 /nfs/dbraw/zinc/27/49/16/1064274916.db2.gz PYRBBAHKYHBQSP-INIZCTEOSA-N 0 0 456.419 4.911 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001545865878 1064274778 /nfs/dbraw/zinc/27/47/78/1064274778.db2.gz OELCXILLVKBZTB-UHFFFAOYSA-N 0 0 481.689 4.647 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1F ZINC001359728090 1064275332 /nfs/dbraw/zinc/27/53/32/1064275332.db2.gz STPHPYFJANGFEF-AZUAARDMSA-N 0 0 478.012 4.982 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@H]2CCOC2)C1 ZINC001359728333 1064275352 /nfs/dbraw/zinc/27/53/52/1064275352.db2.gz BLEBWYHGONBYBM-MJGOQNOKSA-N 0 0 450.986 4.806 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(C(C)(C)C)no3)CC2)n1 ZINC001359728289 1064275457 /nfs/dbraw/zinc/27/54/57/1064275457.db2.gz ASDHILMDJNYNJY-SFHVURJKSA-N 0 0 498.676 4.590 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCO[C@@H]2CCOC2)C1 ZINC001359728334 1064275498 /nfs/dbraw/zinc/27/54/98/1064275498.db2.gz BLEBWYHGONBYBM-PKOBYXMFSA-N 0 0 450.986 4.806 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@@H](C)Oc1ccccc1F ZINC001545866064 1064275690 /nfs/dbraw/zinc/27/56/90/1064275690.db2.gz UEVNBVMCLODQRZ-QZTJIDSGSA-N 0 0 459.610 4.676 20 0 JJADRN CCn1c2ccccc2nc1SCC(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001545866361 1064276136 /nfs/dbraw/zinc/27/61/36/1064276136.db2.gz CLZLSTWZYJWBRK-ZDUSSCGKSA-N 0 0 450.377 4.797 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1Cc1ccccc1-n1nc(C)cc1C ZINC001545866221 1064276245 /nfs/dbraw/zinc/27/62/45/1064276245.db2.gz YYLHTXGIJXVLIR-UHFFFAOYSA-N 0 0 475.641 4.594 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1CCc1c[nH]c2cc(F)ccc12 ZINC001545867369 1064276608 /nfs/dbraw/zinc/27/66/08/1064276608.db2.gz APGXMVHHXGSZCK-AOMKIAJQSA-N 0 0 454.594 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1coc(-c2ccc(C)cc2)n1 ZINC001545868025 1064278044 /nfs/dbraw/zinc/27/80/44/1064278044.db2.gz KNARMEOCUWFCKY-RBUKOAKNSA-N 0 0 464.614 4.691 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001359729203 1064278379 /nfs/dbraw/zinc/27/83/79/1064278379.db2.gz UUARWLXCOPWMPR-BTYIYWSLSA-N 0 0 478.460 4.877 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001359729299 1064279028 /nfs/dbraw/zinc/27/90/28/1064279028.db2.gz WUABWSNNDMFCMW-OAQYLSRUSA-N 0 0 472.699 4.940 20 0 JJADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001359729309 1064279096 /nfs/dbraw/zinc/27/90/96/1064279096.db2.gz XAFBADIXSIYVAS-QGZVFWFLSA-N 0 0 491.562 4.858 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001359729298 1064279228 /nfs/dbraw/zinc/27/92/28/1064279228.db2.gz WUABWSNNDMFCMW-NRFANRHFSA-N 0 0 472.699 4.940 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(O)cc2)C1 ZINC001359729231 1064279262 /nfs/dbraw/zinc/27/92/62/1064279262.db2.gz VOFYDLFHXZMTPJ-KRWDZBQOSA-N 0 0 458.404 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCc1sc(C)nc1C ZINC001545868387 1064279528 /nfs/dbraw/zinc/27/95/28/1064279528.db2.gz PSNGVOXLUCJEKQ-INIZCTEOSA-N 0 0 458.676 4.529 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001359729616 1064279860 /nfs/dbraw/zinc/27/98/60/1064279860.db2.gz DRRRXHAUIQVKPO-IBGZPJMESA-N 0 0 479.629 4.946 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCCc1cccc(F)c1 ZINC001545868596 1064279855 /nfs/dbraw/zinc/27/98/55/1064279855.db2.gz SWYXKCJJAUJJPV-IBGZPJMESA-N 0 0 455.622 4.985 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccccc1N1CCCCC1 ZINC001545868604 1064280046 /nfs/dbraw/zinc/28/00/46/1064280046.db2.gz TUHLCGMGQHZZHN-RTWAWAEBSA-N 0 0 466.674 4.717 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359729631 1064280342 /nfs/dbraw/zinc/28/03/42/1064280342.db2.gz DWCAZUJGXZZUQW-QGZVFWFLSA-N 0 0 462.520 4.649 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001545869039 1064280674 /nfs/dbraw/zinc/28/06/74/1064280674.db2.gz ZNSNWRABNKBJNR-FNZWTVRRSA-N 0 0 467.658 4.511 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001545869041 1064280710 /nfs/dbraw/zinc/28/07/10/1064280710.db2.gz ZNSNWRABNKBJNR-IBVKSMDESA-N 0 0 467.658 4.511 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001545869040 1064280906 /nfs/dbraw/zinc/28/09/06/1064280906.db2.gz ZNSNWRABNKBJNR-FQRUVTKNSA-N 0 0 467.658 4.511 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001359729984 1064280989 /nfs/dbraw/zinc/28/09/89/1064280989.db2.gz KRBFTKHGDHOQMQ-KRWDZBQOSA-N 0 0 462.932 4.911 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(C)C)C1 ZINC001359729806 1064281137 /nfs/dbraw/zinc/28/11/37/1064281137.db2.gz HPRICHLVMHNTEG-IBGZPJMESA-N 0 0 460.692 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cc4ccccc4[nH]3)CC2)n1C[C@@](C)(O)[C@@H](C)CC ZINC001545869877 1064281382 /nfs/dbraw/zinc/28/13/82/1064281382.db2.gz ALTIPZVRRVHWTF-HMILPKGGSA-N 0 0 494.684 4.859 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001545869854 1064281411 /nfs/dbraw/zinc/28/14/11/1064281411.db2.gz AAVGEHPSFHQJKA-BPYKYCOYSA-N 0 0 497.684 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545869993 1064281475 /nfs/dbraw/zinc/28/14/75/1064281475.db2.gz DEKOFHKWJGOYTO-UNIVCBNLSA-N 0 0 453.631 4.538 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359730311 1064281540 /nfs/dbraw/zinc/28/15/40/1064281540.db2.gz RRHCUPZLSCMHDN-LJQANCHMSA-N 0 0 456.635 4.556 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)C1 ZINC001359730772 1064282158 /nfs/dbraw/zinc/28/21/58/1064282158.db2.gz AVTWJYMZBNMJPH-VXKWHMMOSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359730762 1064282326 /nfs/dbraw/zinc/28/23/26/1064282326.db2.gz AQLNVSFUHZEDFX-RTWAWAEBSA-N 0 0 489.686 4.763 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC(C)(C)c1ccccn1 ZINC001545870345 1064283578 /nfs/dbraw/zinc/28/35/78/1064283578.db2.gz MEGHBQDCIIMDHF-OAQYLSRUSA-N 0 0 460.626 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CC1(OC)CCCC1 ZINC001545870376 1064284150 /nfs/dbraw/zinc/28/41/50/1064284150.db2.gz MSBZAVMZKMHDOF-UHFFFAOYSA-N 0 0 483.657 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCc1ccc(F)cc1Cl ZINC001545870463 1064284485 /nfs/dbraw/zinc/28/44/85/1064284485.db2.gz ONGYBJQSEHALAC-KRWDZBQOSA-N 0 0 473.980 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1CC1(CC)CC1 ZINC001545870453 1064284597 /nfs/dbraw/zinc/28/45/97/1064284597.db2.gz OFXYPHBSNAUTFE-UHFFFAOYSA-N 0 0 453.631 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1C[C@@H](OC)C(C)(C)C ZINC001545870515 1064284706 /nfs/dbraw/zinc/28/47/06/1064284706.db2.gz PLVNLACCSFRFOE-BVYCBKJFSA-N 0 0 455.647 4.640 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1C[C@H](C)c1nccs1 ZINC001545870485 1064284728 /nfs/dbraw/zinc/28/47/28/1064284728.db2.gz PBXWCAZCEXXCDW-AZUAARDMSA-N 0 0 466.655 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001545870810 1064285776 /nfs/dbraw/zinc/28/57/76/1064285776.db2.gz XEBPPWGTPIFPNL-RTWAWAEBSA-N 0 0 497.684 4.794 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001359732253 1064286517 /nfs/dbraw/zinc/28/65/17/1064286517.db2.gz AIDXVZPHRXKJGM-QGZVFWFLSA-N 0 0 491.583 4.802 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359732619 1064287054 /nfs/dbraw/zinc/28/70/54/1064287054.db2.gz IAUFWLMUYDTGKU-RTBURBONSA-N 0 0 483.554 4.753 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](C)Oc1ccccc1C ZINC001545872027 1064286985 /nfs/dbraw/zinc/28/69/85/1064286985.db2.gz FTAKHKAYZUYBII-IBGZPJMESA-N 0 0 496.681 4.813 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCc1sccc1C ZINC001545871849 1064287058 /nfs/dbraw/zinc/28/70/58/1064287058.db2.gz ARWHGCKXXXRJNO-SFHVURJKSA-N 0 0 465.614 4.681 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC2CCCCC2)C1 ZINC001359732942 1064288329 /nfs/dbraw/zinc/28/83/29/1064288329.db2.gz OLKCHODTHUEOCW-FQEVSTJZSA-N 0 0 471.621 4.708 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCSc1ccccc1 ZINC001545872743 1064288434 /nfs/dbraw/zinc/28/84/34/1064288434.db2.gz XBVGWTOEHMOVCB-FQEVSTJZSA-N 0 0 477.625 4.860 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ncc(C)s3)CC2)n1CCc1cccc(OC)c1 ZINC001545872592 1064288464 /nfs/dbraw/zinc/28/84/64/1064288464.db2.gz SYPSRHZIANJXFW-UHFFFAOYSA-N 0 0 496.681 4.597 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545873887 1064288870 /nfs/dbraw/zinc/28/88/70/1064288870.db2.gz CLCDYEVCXPAPNZ-XMSQKQJNSA-N 0 0 473.584 4.713 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cc2CN1C(=O)OC(C)(C)C ZINC001545873532 1064289045 /nfs/dbraw/zinc/28/90/45/1064289045.db2.gz RRHDGYQMGASFQZ-INIZCTEOSA-N 0 0 456.974 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1c2ccccc2C[C@H]1C ZINC001545873945 1064289134 /nfs/dbraw/zinc/28/91/34/1064289134.db2.gz DNHGZRZKFVETNJ-NHCUHLMSSA-N 0 0 466.674 4.520 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C1 ZINC001359733206 1064289537 /nfs/dbraw/zinc/28/95/37/1064289537.db2.gz UFKWHCJMJOZWER-IEBWSBKVSA-N 0 0 480.394 4.655 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001359733147 1064289659 /nfs/dbraw/zinc/28/96/59/1064289659.db2.gz SORNHJZEHITMMS-UOIWZGTJSA-N 0 0 497.684 4.829 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCSC2)C1 ZINC001359733331 1064290328 /nfs/dbraw/zinc/29/03/28/1064290328.db2.gz WRDLCAMWQZENCZ-FQRUVTKNSA-N 0 0 472.699 4.895 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCOC2CCCCCC2)C1 ZINC001359733381 1064290356 /nfs/dbraw/zinc/29/03/56/1064290356.db2.gz XOPIWUOWFCKHOJ-HXUWFJFHSA-N 0 0 473.687 4.881 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545874417 1064290648 /nfs/dbraw/zinc/29/06/48/1064290648.db2.gz QYFZTIIHKJJVIA-ALXJQNPVSA-N 0 0 473.584 4.569 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359733579 1064291204 /nfs/dbraw/zinc/29/12/04/1064291204.db2.gz BWRAEVNCVYPAOG-WBVHZDCISA-N 0 0 495.466 4.584 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545874470 1064291336 /nfs/dbraw/zinc/29/13/36/1064291336.db2.gz SXMRKMWTHLPWFL-SYYJFZTOSA-N 0 0 499.622 4.818 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(Cl)c(F)c1 ZINC001545874880 1064291484 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465.545 4.696 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COC)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545878006 1064294187 /nfs/dbraw/zinc/29/41/87/1064294187.db2.gz SWKPANDBRUZDTI-UKILVPOCSA-N 0 0 497.684 4.536 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(F)(F)Br ZINC001359735031 1064294560 /nfs/dbraw/zinc/29/45/60/1064294560.db2.gz FTFVLRGWZRDAER-QGZVFWFLSA-N 0 0 465.346 4.743 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001359735485 1064295243 /nfs/dbraw/zinc/29/52/43/1064295243.db2.gz MNBTZJKHXVYNIM-QSJFZTKYSA-N 0 0 497.684 4.925 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Nc3cccc(C)c3)CC2)n1CCc1cccc(C)n1 ZINC001545880511 1064296099 /nfs/dbraw/zinc/29/60/99/1064296099.db2.gz CYLIKCMVQVHWLG-UHFFFAOYSA-N 0 0 489.668 4.532 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CCc1ccncc1 ZINC001545880537 1064296156 /nfs/dbraw/zinc/29/61/56/1064296156.db2.gz DUJCEIKONBGSFM-UHFFFAOYSA-N 0 0 496.059 4.569 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545881102 1064296640 /nfs/dbraw/zinc/29/66/40/1064296640.db2.gz XSHZNJYJNFFENB-UHFFFAOYSA-N 0 0 490.693 4.687 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ccc(C)cc3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001545881738 1064297303 /nfs/dbraw/zinc/29/73/03/1064297303.db2.gz FQOBMSBFNURZBX-IBGZPJMESA-N 0 0 489.611 4.988 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359736885 1064297750 /nfs/dbraw/zinc/29/77/50/1064297750.db2.gz MVIAKVOVPKOHBK-ILWGZMRPSA-N 0 0 468.646 4.534 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C ZINC001359737757 1064299320 /nfs/dbraw/zinc/29/93/20/1064299320.db2.gz FPNDFRYATCYAIE-OAQYLSRUSA-N 0 0 478.106 4.959 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCCC(F)(F)F ZINC001545883729 1064299766 /nfs/dbraw/zinc/29/97/66/1064299766.db2.gz XFNWOUTUBNMHCG-SUMWQHHRSA-N 0 0 470.367 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001545884718 1064301052 /nfs/dbraw/zinc/30/10/52/1064301052.db2.gz BQWYCTLMZRVXAR-QFIPXVFZSA-N 0 0 487.092 4.923 20 0 JJADRN CC(C)C[C@H](NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 ZINC001545884518 1064301180 /nfs/dbraw/zinc/30/11/80/1064301180.db2.gz WVHOUJPUCPHJMC-INIZCTEOSA-N 0 0 456.395 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1Cc1ccc([C@@H](C)O)cc1 ZINC001545885026 1064301717 /nfs/dbraw/zinc/30/17/17/1064301717.db2.gz LBOHSONRVNECHM-GOSISDBHSA-N 0 0 489.611 4.704 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCC3)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545885465 1064302429 /nfs/dbraw/zinc/30/24/29/1064302429.db2.gz YJVUVTIPPKQCEO-UHFFFAOYSA-N 0 0 479.547 4.653 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001359738672 1064302465 /nfs/dbraw/zinc/30/24/65/1064302465.db2.gz AJZLGNCCGUASKU-UHFFFAOYSA-N 0 0 486.462 4.975 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@H](SC)C(C)(C)C ZINC001545886617 1064303274 /nfs/dbraw/zinc/30/32/74/1064303274.db2.gz GSRQSDZFHHCJOA-FQEVSTJZSA-N 0 0 479.641 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H](SC)C(C)(C)C ZINC001545886618 1064303651 /nfs/dbraw/zinc/30/36/51/1064303651.db2.gz GSRQSDZFHHCJOA-HXUWFJFHSA-N 0 0 479.641 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001545886662 1064303885 /nfs/dbraw/zinc/30/38/85/1064303885.db2.gz IMFQRMYYZVMLGP-XXBNENTESA-N 0 0 488.076 4.864 20 0 JJADRN Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c(OCC(F)(F)F)c1 ZINC001434866596 1064304298 /nfs/dbraw/zinc/30/42/98/1064304298.db2.gz DUZIKGYRSFWGOU-UHFFFAOYSA-N 0 0 451.372 4.860 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC001434866564 1064304309 /nfs/dbraw/zinc/30/43/09/1064304309.db2.gz DSIBAFJNFPHJFJ-UHFFFAOYSA-N 0 0 450.848 4.779 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCO2)C1 ZINC001359739039 1064305159 /nfs/dbraw/zinc/30/51/59/1064305159.db2.gz KCNIPDQOWJFELG-WBVHZDCISA-N 0 0 451.384 4.898 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001359739092 1064305240 /nfs/dbraw/zinc/30/52/40/1064305240.db2.gz LDDHXVUZYDZQJH-OAHLLOKOSA-N 0 0 471.454 4.559 20 0 JJADRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC001434868428 1064305726 /nfs/dbraw/zinc/30/57/26/1064305726.db2.gz NMUILHSALMNMNS-GOSISDBHSA-N 0 0 450.530 4.786 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N(C)c1cccc(C(C)C)c1 ZINC001434868586 1064305796 /nfs/dbraw/zinc/30/57/96/1064305796.db2.gz DOLOXAHPRGWABO-JOCHJYFZSA-N 0 0 456.384 4.764 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCOCC2)CC1 ZINC001359739236 1064305759 /nfs/dbraw/zinc/30/57/59/1064305759.db2.gz OINVUNQZQVICFN-UHFFFAOYSA-N 0 0 497.865 4.775 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359739154 1064305818 /nfs/dbraw/zinc/30/58/18/1064305818.db2.gz MMXVXAMYWVEXLO-LOKFHWFJSA-N 0 0 471.490 4.553 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([S@](C)=O)CCC2)C1 ZINC001359739153 1064305996 /nfs/dbraw/zinc/30/59/96/1064305996.db2.gz MMXVXAMYWVEXLO-ASHKIFAZSA-N 0 0 471.490 4.553 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccn2C(F)F)CC1 ZINC001359739336 1064307300 /nfs/dbraw/zinc/30/73/00/1064307300.db2.gz QOHLDIWHCIUMED-UHFFFAOYSA-N 0 0 482.377 4.558 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cncc(I)c1 ZINC001434870479 1064307144 /nfs/dbraw/zinc/30/71/44/1064307144.db2.gz TYFZSMNMIWAINN-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)NCC2(c3ccccc3C)CCOCC2)CC1 ZINC001434869890 1064307203 /nfs/dbraw/zinc/30/72/03/1064307203.db2.gz OOCOTYCOHNAKLF-UHFFFAOYSA-N 0 0 458.396 4.662 20 0 JJADRN O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)cc1 ZINC001434873587 1064308830 /nfs/dbraw/zinc/30/88/30/1064308830.db2.gz RURLQDYYAVMYHU-OAQYLSRUSA-N 0 0 451.885 4.541 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)nc2)C1 ZINC001359739902 1064308880 /nfs/dbraw/zinc/30/88/80/1064308880.db2.gz IGIAFQVLZFMYEY-GOSISDBHSA-N 0 0 469.431 4.699 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001434874754 1064309132 /nfs/dbraw/zinc/30/91/32/1064309132.db2.gz DGCFNLOLMZFBEN-DEOSSOPVSA-N 0 0 451.611 4.623 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2cc(Br)cn2)C1 ZINC001359740208 1064309813 /nfs/dbraw/zinc/30/98/13/1064309813.db2.gz OZSBXSQFYUFUBC-KRWDZBQOSA-N 0 0 492.853 4.915 20 0 JJADRN CCC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1C ZINC001434875356 1064309828 /nfs/dbraw/zinc/30/98/28/1064309828.db2.gz FPBUTZZNTLDMOK-HXUWFJFHSA-N 0 0 458.624 4.740 20 0 JJADRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccc(F)c4cccnc34)cc2)c1 ZINC001434875891 1064310377 /nfs/dbraw/zinc/31/03/77/1064310377.db2.gz GXMWDDNVYKTCOI-UHFFFAOYSA-N 0 0 457.505 4.672 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC001434876587 1064310416 /nfs/dbraw/zinc/31/04/16/1064310416.db2.gz QDMMRDSNDMRXOO-UHFFFAOYSA-N 0 0 452.352 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545887045 1064310777 /nfs/dbraw/zinc/31/07/77/1064310777.db2.gz UFCMEJHDUIEMFH-MRXNPFEDSA-N 0 0 455.603 4.764 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC001359742164 1064310922 /nfs/dbraw/zinc/31/09/22/1064310922.db2.gz KXYMXOUKUKVOQM-PKOBYXMFSA-N 0 0 466.552 4.918 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001359741197 1064310942 /nfs/dbraw/zinc/31/09/42/1064310942.db2.gz PAISUESAJCGIID-UYAOXDASSA-N 0 0 467.511 4.723 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N[C@H](C)COc2ccc(F)cc2F)cc1 ZINC001434878019 1064310872 /nfs/dbraw/zinc/31/08/72/1064310872.db2.gz VJPLLWANRLDEKX-QGZVFWFLSA-N 0 0 450.489 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001545887044 1064311050 /nfs/dbraw/zinc/31/10/50/1064311050.db2.gz UFCMEJHDUIEMFH-INIZCTEOSA-N 0 0 455.603 4.764 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001359742509 1064311647 /nfs/dbraw/zinc/31/16/47/1064311647.db2.gz QWDDCHUCXGUXIT-SFTDATJTSA-N 0 0 459.635 4.569 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001434878159 1064311496 /nfs/dbraw/zinc/31/14/96/1064311496.db2.gz QVCXAZVUNVGZIO-QFIPXVFZSA-N 0 0 454.998 4.972 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)s1 ZINC001434880426 1064312065 /nfs/dbraw/zinc/31/20/65/1064312065.db2.gz APKRGHQRMJKKOZ-IBGZPJMESA-N 0 0 453.568 4.812 20 0 JJADRN CCCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)[C@H](C)c1cc2ccccc2o1 ZINC001434879333 1064312509 /nfs/dbraw/zinc/31/25/09/1064312509.db2.gz QRSDOKHQUKKLAJ-DFXHWTJYSA-N 0 0 453.583 4.869 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001359742768 1064312520 /nfs/dbraw/zinc/31/25/20/1064312520.db2.gz UZUNCJZZMWNYMY-GXRSIYKFSA-N 0 0 475.678 4.548 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC001434880529 1064313037 /nfs/dbraw/zinc/31/30/37/1064313037.db2.gz BNVKWOARBFLZRT-XMSQKQJNSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1c(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)cccc1C(=O)N1CCOCC1 ZINC001434880376 1064313049 /nfs/dbraw/zinc/31/30/49/1064313049.db2.gz DDWXAEGAMNLSHQ-UHFFFAOYSA-N 0 0 458.345 4.817 20 0 JJADRN CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001359743139 1064313300 /nfs/dbraw/zinc/31/33/00/1064313300.db2.gz CEPLIZLTSSVCFO-JOCHJYFZSA-N 0 0 470.662 4.686 20 0 JJADRN Cc1c(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001434882229 1064314520 /nfs/dbraw/zinc/31/45/20/1064314520.db2.gz HBGFYOUDCZNOGL-KNQAVFIVSA-N 0 0 458.484 4.551 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cc2)CC1 ZINC001359743893 1064314959 /nfs/dbraw/zinc/31/49/59/1064314959.db2.gz UUNFMDILMPIGMP-JOCHJYFZSA-N 0 0 487.620 4.646 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001359744573 1064316487 /nfs/dbraw/zinc/31/64/87/1064316487.db2.gz LQNFVLFAJGFWJZ-FQEVSTJZSA-N 0 0 452.628 4.555 20 0 JJADRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001434884489 1064316722 /nfs/dbraw/zinc/31/67/22/1064316722.db2.gz HHDVFORCEWRMIA-UHFFFAOYSA-N 0 0 451.954 4.823 20 0 JJADRN CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCCC2)CC1 ZINC001359745038 1064317135 /nfs/dbraw/zinc/31/71/35/1064317135.db2.gz ZBPRINKSXGZJGC-UHFFFAOYSA-N 0 0 473.687 4.881 20 0 JJADRN CC(C)C1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001359744952 1064317169 /nfs/dbraw/zinc/31/71/69/1064317169.db2.gz WUCSUVGHFKNYTC-UHFFFAOYSA-N 0 0 460.688 4.539 20 0 JJADRN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001434885334 1064317853 /nfs/dbraw/zinc/31/78/53/1064317853.db2.gz NMRLHHSIFAVBRL-UHFFFAOYSA-N 0 0 459.951 4.901 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2=O)cc1 ZINC001434885951 1064317869 /nfs/dbraw/zinc/31/78/69/1064317869.db2.gz ULCOBYNZXNNEQW-RXVVDRJESA-N 0 0 456.970 4.842 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCCCO)CC1 ZINC001359745192 1064318125 /nfs/dbraw/zinc/31/81/25/1064318125.db2.gz CIUFTIMEVXEGPN-UHFFFAOYSA-N 0 0 465.436 4.655 20 0 JJADRN CCCOc1ccc(COC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001434887752 1064319167 /nfs/dbraw/zinc/31/91/67/1064319167.db2.gz HSWIOIGCOFWPLB-UHFFFAOYSA-N 0 0 453.560 4.966 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC001434887378 1064319277 /nfs/dbraw/zinc/31/92/77/1064319277.db2.gz OGSZNDOOVJGQHU-IBGZPJMESA-N 0 0 452.473 4.639 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cc2F)C1 ZINC001359745609 1064319885 /nfs/dbraw/zinc/31/98/85/1064319885.db2.gz NDXUJAGWGPVONS-XKGZKEIXSA-N 0 0 475.584 4.858 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1 ZINC001434889141 1064319955 /nfs/dbraw/zinc/31/99/55/1064319955.db2.gz WGXWKWCAYVWAEE-UHFFFAOYSA-N 0 0 450.551 4.633 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2nccs2)C1 ZINC001359745782 1064320441 /nfs/dbraw/zinc/32/04/41/1064320441.db2.gz QMGJCBSJMGNUHE-GBESFXJTSA-N 0 0 474.675 4.620 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)(C)C)CC1 ZINC001359745789 1064320565 /nfs/dbraw/zinc/32/05/65/1064320565.db2.gz QQSFMEXHDKQNTF-BGYRXZFFSA-N 0 0 463.667 4.736 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCCC2(C)C)C1 ZINC001359745831 1064321324 /nfs/dbraw/zinc/32/13/24/1064321324.db2.gz RRLQXFGLLDUQQI-HSALFYBXSA-N 0 0 461.651 4.648 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CCCOC1 ZINC001434891038 1064321637 /nfs/dbraw/zinc/32/16/37/1064321637.db2.gz OINDNWHKHTUXCV-QHCPKHFHSA-N 0 0 452.979 4.921 20 0 JJADRN O=C(CC1CCC(c2ccccc2)CC1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC001434892570 1064322326 /nfs/dbraw/zinc/32/23/26/1064322326.db2.gz ZULIDCFBQOVZKA-UHFFFAOYSA-N 0 0 456.533 4.937 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 ZINC001359746211 1064322784 /nfs/dbraw/zinc/32/27/84/1064322784.db2.gz BJZIARHDFJQNBA-GOSISDBHSA-N 0 0 465.907 4.922 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)CCS1 ZINC001359746268 1064323426 /nfs/dbraw/zinc/32/34/26/1064323426.db2.gz CEMPZQWWWJSBCQ-WQFQCULDSA-N 0 0 497.478 4.976 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359746587 1064324049 /nfs/dbraw/zinc/32/40/49/1064324049.db2.gz JQFGEWIGQKWWGK-MOPGFXCFSA-N 0 0 465.708 4.801 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359746588 1064324088 /nfs/dbraw/zinc/32/40/88/1064324088.db2.gz JQFGEWIGQKWWGK-OALUTQOASA-N 0 0 465.708 4.801 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)c1 ZINC001434896129 1064324294 /nfs/dbraw/zinc/32/42/94/1064324294.db2.gz LIZYFAFZASRUPX-GFCCVEGCSA-N 0 0 451.748 4.746 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccnc2OCC(F)(F)F)CCS1 ZINC001359746708 1064325115 /nfs/dbraw/zinc/32/51/15/1064325115.db2.gz LRIFYLJJOVLQMB-MRXNPFEDSA-N 0 0 457.566 4.538 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)c3cnn(Cc4ccccc4)c3Br)ccc2n1 ZINC001434897754 1064325320 /nfs/dbraw/zinc/32/53/20/1064325320.db2.gz DOJSLYBOHHVSRS-UHFFFAOYSA-N 0 0 450.340 4.560 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001359747141 1064325914 /nfs/dbraw/zinc/32/59/14/1064325914.db2.gz UUXQMKKFBNMZIO-MOPGFXCFSA-N 0 0 481.410 4.523 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC2CCCC2)CCO1 ZINC001359746964 1064325973 /nfs/dbraw/zinc/32/59/73/1064325973.db2.gz QFPGAYCIUAEFDQ-OAQYLSRUSA-N 0 0 464.557 4.757 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001359747142 1064326089 /nfs/dbraw/zinc/32/60/89/1064326089.db2.gz UUXQMKKFBNMZIO-OALUTQOASA-N 0 0 481.410 4.523 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCCNC(=O)c2ccsc2)[C@H]1C ZINC001434898191 1064326047 /nfs/dbraw/zinc/32/60/47/1064326047.db2.gz JAGUUGHHSJMPIQ-LVCYWYKZSA-N 0 0 456.608 4.840 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)nn1-c1ccccc1Cl ZINC001434898596 1064327038 /nfs/dbraw/zinc/32/70/38/1064327038.db2.gz DIPNTWKLOQYXTO-INIZCTEOSA-N 0 0 451.958 4.662 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCOC(F)(F)F)CCS1 ZINC001359747390 1064327571 /nfs/dbraw/zinc/32/75/71/1064327571.db2.gz AIEPXWMTWIERLY-LJQANCHMSA-N 0 0 465.545 4.998 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)c(F)c2)CCS1 ZINC001359747350 1064327608 /nfs/dbraw/zinc/32/76/08/1064327608.db2.gz ZJLGTPKBMCEUNC-LJQANCHMSA-N 0 0 496.425 4.950 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(F)F)CCO1 ZINC001359747397 1064327677 /nfs/dbraw/zinc/32/76/77/1064327677.db2.gz ANISIHQITZJCSA-GOSISDBHSA-N 0 0 463.916 4.504 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 ZINC001434899310 1064327607 /nfs/dbraw/zinc/32/76/07/1064327607.db2.gz QYJVYOATOCPNEY-UHFFFAOYSA-N 0 0 457.914 4.588 20 0 JJADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)c1 ZINC001434898966 1064327683 /nfs/dbraw/zinc/32/76/83/1064327683.db2.gz XZLZZLIFCFLBRH-SEONNTABSA-N 0 0 459.587 4.557 20 0 JJADRN C[C@@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC001434900540 1064328196 /nfs/dbraw/zinc/32/81/96/1064328196.db2.gz KYMUWQVTVSRLJU-JJHGTGHCSA-N 0 0 455.599 4.560 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCOCC2CC2)CCO1 ZINC001359747411 1064328319 /nfs/dbraw/zinc/32/83/19/1064328319.db2.gz AVQMPBUWVWUUPC-FQEVSTJZSA-N 0 0 481.410 4.525 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2C)CCS1 ZINC001359747527 1064328777 /nfs/dbraw/zinc/32/87/77/1064328777.db2.gz DEGCRMDCWCFBPQ-HQRMLTQVSA-N 0 0 479.488 4.958 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCS1 ZINC001359747568 1064329830 /nfs/dbraw/zinc/32/98/30/1064329830.db2.gz DTRHRJROFPVXLT-ICSRJNTNSA-N 0 0 459.660 4.778 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC001434901809 1064329734 /nfs/dbraw/zinc/32/97/34/1064329734.db2.gz QJLSGIKCSRZMBU-LLVKDONJSA-N 0 0 453.720 4.559 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)nnn1-c1cccc(C(C)C)c1 ZINC001434901726 1064329749 /nfs/dbraw/zinc/32/97/49/1064329749.db2.gz PZWCCFZYYLUNTQ-LJQANCHMSA-N 0 0 459.594 4.961 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(C)s2)CC1=O ZINC001434902071 1064329791 /nfs/dbraw/zinc/32/97/91/1064329791.db2.gz QNILUSBVHAQXNU-INIZCTEOSA-N 0 0 458.967 4.893 20 0 JJADRN CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)nnn1-c1cccc(C(C)C)c1 ZINC001434901725 1064329861 /nfs/dbraw/zinc/32/98/61/1064329861.db2.gz PZWCCFZYYLUNTQ-IBGZPJMESA-N 0 0 459.594 4.961 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2[nH]1 ZINC001434902478 1064330456 /nfs/dbraw/zinc/33/04/56/1064330456.db2.gz ZBAHEROJEHDPIH-UHFFFAOYSA-N 0 0 454.596 4.723 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(C)CC(F)(F)F)CCO1 ZINC001359747896 1064331391 /nfs/dbraw/zinc/33/13/91/1064331391.db2.gz KVFHDBLCXXYYCV-OAQYLSRUSA-N 0 0 481.607 4.988 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2n1 ZINC001434902981 1064331319 /nfs/dbraw/zinc/33/13/19/1064331319.db2.gz ZQRUWEGYBMBDFR-OPAMFIHVSA-N 0 0 457.361 4.766 20 0 JJADRN Cc1ccc(OC[C@H](C)NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC001434904637 1064331744 /nfs/dbraw/zinc/33/17/44/1064331744.db2.gz BCFFRTAKEMDPCW-FQEVSTJZSA-N 0 0 458.587 4.919 20 0 JJADRN CCC[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC001434904504 1064331857 /nfs/dbraw/zinc/33/18/57/1064331857.db2.gz JCVVVTXVURJUKX-DJJJIMSYSA-N 0 0 455.407 4.975 20 0 JJADRN O=C(CCOCC(F)(F)C(F)(F)F)Oc1c(Br)cccc1Br ZINC001434904410 1064331900 /nfs/dbraw/zinc/33/19/00/1064331900.db2.gz IJXGARWUIFLKRB-UHFFFAOYSA-N 0 0 455.999 4.721 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NC2CCCCC2)CCO1 ZINC001359748091 1064331935 /nfs/dbraw/zinc/33/19/35/1064331935.db2.gz OGCCKUCOUZTFOJ-FQEVSTJZSA-N 0 0 480.440 4.562 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncccc2N(C)C)CCO1 ZINC001359748053 1064331965 /nfs/dbraw/zinc/33/19/65/1064331965.db2.gz NJLPYHCIMJGNII-NRFANRHFSA-N 0 0 475.424 4.622 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC001434906069 1064333301 /nfs/dbraw/zinc/33/33/01/1064333301.db2.gz GYEZMDXQGUCEII-UHFFFAOYSA-N 0 0 451.477 4.686 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCCC2(C)C)CCO1 ZINC001359748302 1064333477 /nfs/dbraw/zinc/33/34/77/1064333477.db2.gz SLTKKQDNMUXHKV-CVDCTZTESA-N 0 0 450.986 4.540 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)CCS1 ZINC001359748270 1064333503 /nfs/dbraw/zinc/33/35/03/1064333503.db2.gz RUHJCGFNUBFIIP-MRXNPFEDSA-N 0 0 497.413 4.925 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccc(F)cc2)CCS1 ZINC001359748345 1064334325 /nfs/dbraw/zinc/33/43/25/1064334325.db2.gz TUTUBNDTVHBSLN-AUSIDOKSSA-N 0 0 476.021 4.618 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)CC2)c(C)c1 ZINC001434908036 1064334668 /nfs/dbraw/zinc/33/46/68/1064334668.db2.gz BFGOLYSKDMYTKM-HSZRJFAPSA-N 0 0 454.636 4.633 20 0 JJADRN CCc1nc(C)ncc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC001434908836 1064335145 /nfs/dbraw/zinc/33/51/45/1064335145.db2.gz DQGMKWJNYADJQK-UHFFFAOYSA-N 0 0 456.421 4.926 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)CCO1 ZINC001359748541 1064335620 /nfs/dbraw/zinc/33/56/20/1064335620.db2.gz XSGILZCXTBLURF-FQEVSTJZSA-N 0 0 450.574 4.776 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CCO1 ZINC001359748547 1064335742 /nfs/dbraw/zinc/33/57/42/1064335742.db2.gz YAGOGCIPPLHZCA-IBGZPJMESA-N 0 0 462.381 4.587 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCNc2ccc(C(F)(F)F)cn2)CCO1 ZINC001359748721 1064336296 /nfs/dbraw/zinc/33/62/96/1064336296.db2.gz CKBKNKLZBOHRQR-FQEVSTJZSA-N 0 0 492.521 4.861 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc3nccc(C(F)(F)F)n3n2)cc1 ZINC001434910576 1064336751 /nfs/dbraw/zinc/33/67/51/1064336751.db2.gz CQYRRWUKDDZKAO-GOSISDBHSA-N 0 0 458.415 4.610 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCS1 ZINC001359749392 1064337059 /nfs/dbraw/zinc/33/70/59/1064337059.db2.gz QEASNYAERYEBLN-OALUTQOASA-N 0 0 482.551 4.878 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(COc4cccc(F)c4)ccc3OC)C2)c1 ZINC001434910919 1064337040 /nfs/dbraw/zinc/33/70/40/1064337040.db2.gz BPEORBCTVGXWGC-XMMPIXPASA-N 0 0 450.466 4.554 20 0 JJADRN C/C(=C/C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC001434911272 1064337733 /nfs/dbraw/zinc/33/77/33/1064337733.db2.gz PVYKDGFJOFBIQV-GHXNOFRVSA-N 0 0 456.258 4.959 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CCS1 ZINC001359749586 1064337856 /nfs/dbraw/zinc/33/78/56/1064337856.db2.gz URYDIDVKYMOFJT-KTBRYMIGSA-N 0 0 473.712 4.562 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)CCS1 ZINC001359749729 1064337954 /nfs/dbraw/zinc/33/79/54/1064337954.db2.gz XXDSJDXBFJAPMY-FQEVSTJZSA-N 0 0 480.604 4.509 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(C)(C)C)CCS1 ZINC001359750238 1064339666 /nfs/dbraw/zinc/33/96/66/1064339666.db2.gz IQNCKIYJXKFDRT-LJQANCHMSA-N 0 0 454.644 4.998 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2ccccc2)CCO1 ZINC001359751583 1064340199 /nfs/dbraw/zinc/34/01/99/1064340199.db2.gz GJNDRZYBGIXFRE-BJKOFHAPSA-N 0 0 497.684 4.887 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2ccsc2)CCS1 ZINC001359751812 1064340221 /nfs/dbraw/zinc/34/02/21/1064340221.db2.gz JVYQMZSIOXLMRO-NZQKXSOJSA-N 0 0 478.634 4.694 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC=CO2)CCS1 ZINC001359751476 1064340328 /nfs/dbraw/zinc/34/03/28/1064340328.db2.gz FDKNLAZLIMRQJO-NHCUHLMSSA-N 0 0 491.702 4.663 20 0 JJADRN Cc1cccc2cc(C(=O)Nc3ncn(Cc4ccc(Br)cc4)n3)c(Cl)nc12 ZINC001434913694 1064340353 /nfs/dbraw/zinc/34/03/53/1064340353.db2.gz BPIVPGHTLYKBMN-UHFFFAOYSA-N 0 0 456.731 4.851 20 0 JJADRN CC(C)(C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)c1cccc(Cl)c1F ZINC001434913934 1064340551 /nfs/dbraw/zinc/34/05/51/1064340551.db2.gz DHNIJRLOOWVKKO-UHFFFAOYSA-N 0 0 451.727 4.798 20 0 JJADRN CCc1ccc([C@@H](C)C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC001434914012 1064340607 /nfs/dbraw/zinc/34/06/07/1064340607.db2.gz SPPHMLMSIPQECB-JOCHJYFZSA-N 0 0 456.586 4.916 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(F)(F)F)CCS1 ZINC001359751979 1064340819 /nfs/dbraw/zinc/34/08/19/1064340819.db2.gz MIXYJFFTCOBULO-GOSISDBHSA-N 0 0 497.635 4.618 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)c(F)c2)CCS1 ZINC001359753014 1064341608 /nfs/dbraw/zinc/34/16/08/1064341608.db2.gz AXKWNUHANBSCER-HXUWFJFHSA-N 0 0 477.556 4.631 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(C)cccc3C2)n1Cc1nc(C(C)C)cs1 ZINC001545887272 1064341987 /nfs/dbraw/zinc/34/19/87/1064341987.db2.gz ZYXBKWQDWNQKCB-UHFFFAOYSA-N 0 0 466.655 4.696 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)c(OC)c1 ZINC001434915005 1064342038 /nfs/dbraw/zinc/34/20/38/1064342038.db2.gz ZWYVZMBLNINAFF-UHFFFAOYSA-N 0 0 457.324 4.626 20 0 JJADRN CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)C)C1)c1cccnc1 ZINC001359753283 1064342314 /nfs/dbraw/zinc/34/23/14/1064342314.db2.gz GQQSNWXCZACTNT-BJKOFHAPSA-N 0 0 451.590 4.704 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CCO1 ZINC001359753264 1064342327 /nfs/dbraw/zinc/34/23/27/1064342327.db2.gz GAJGSRILFSMKAF-QHCPKHFHSA-N 0 0 492.624 4.520 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CCS1 ZINC001359753378 1064342909 /nfs/dbraw/zinc/34/29/09/1064342909.db2.gz IRGVYKGGESQGNL-LJQANCHMSA-N 0 0 477.556 4.631 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359753358 1064343013 /nfs/dbraw/zinc/34/30/13/1064343013.db2.gz IDCHHCBHLBHJEO-GOTSBHOMSA-N 0 0 485.101 4.798 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccco2)CCS1 ZINC001359753383 1064343102 /nfs/dbraw/zinc/34/31/02/1064343102.db2.gz IXOXWZGBQLSXBR-AUSIDOKSSA-N 0 0 461.031 4.601 20 0 JJADRN CN(C(=O)CSCC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C1CCCCC1 ZINC001434916562 1064343418 /nfs/dbraw/zinc/34/34/18/1064343418.db2.gz JFLBETRHPFFJSH-SFHVURJKSA-N 0 0 457.665 4.878 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN(C)C(=O)OC(C)(C)C)CCS1 ZINC001359753645 1064343854 /nfs/dbraw/zinc/34/38/54/1064343854.db2.gz NAOZAYSJKGZLIC-NRFANRHFSA-N 0 0 491.677 4.843 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)C[C@H](C)n3cc(Br)cn3)c2)cc1 ZINC001434917471 1064344195 /nfs/dbraw/zinc/34/41/95/1064344195.db2.gz ZIUGGJASTUSTQK-INIZCTEOSA-N 0 0 458.356 4.961 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001359753957 1064344466 /nfs/dbraw/zinc/34/44/66/1064344466.db2.gz VGPQWZTWYKNODX-KRWDZBQOSA-N 0 0 462.969 4.679 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CCS1 ZINC001359754662 1064345074 /nfs/dbraw/zinc/34/50/74/1064345074.db2.gz JQJZVWRVYIGVLH-OALUTQOASA-N 0 0 453.077 4.984 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CCS1 ZINC001359754663 1064345208 /nfs/dbraw/zinc/34/52/08/1064345208.db2.gz JQJZVWRVYIGVLH-RBUKOAKNSA-N 0 0 453.077 4.984 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)NCc1ccc(Br)cc1Cl ZINC001434918915 1064345603 /nfs/dbraw/zinc/34/56/03/1064345603.db2.gz HEZVJRZSLPNPBH-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001434919776 1064347244 /nfs/dbraw/zinc/34/72/44/1064347244.db2.gz OBOUAQOPEHJGEK-FDDCHVKYSA-N 0 0 457.368 4.610 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001434920462 1064347745 /nfs/dbraw/zinc/34/77/45/1064347745.db2.gz KBFAYTBAITVRRA-FIPFOOKPSA-N 0 0 458.602 4.556 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001434920476 1064347971 /nfs/dbraw/zinc/34/79/71/1064347971.db2.gz KBFAYTBAITVRRA-QDPGVEIFSA-N 0 0 458.602 4.556 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@H]2C)CCO1 ZINC001359755271 1064347797 /nfs/dbraw/zinc/34/77/97/1064347797.db2.gz WOSIIGWBBPUNSV-DPLHUUCSSA-N 0 0 470.658 4.688 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c(F)cc1F ZINC001434920927 1064348897 /nfs/dbraw/zinc/34/88/97/1064348897.db2.gz SGJCENIPTJDDHJ-UHFFFAOYSA-N 0 0 453.161 4.837 20 0 JJADRN CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(C)C)C1)c1cccnc1 ZINC001359755387 1064348909 /nfs/dbraw/zinc/34/89/09/1064348909.db2.gz ZEKGSRFXPYLVPS-LOSJGSFVSA-N 0 0 463.626 4.596 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Sc3nccn3C)CC2=O)cc1C ZINC001434921115 1064348994 /nfs/dbraw/zinc/34/89/94/1064348994.db2.gz QYFROISJNWSVHR-INIZCTEOSA-N 0 0 454.983 4.833 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC001359755476 1064349489 /nfs/dbraw/zinc/34/94/89/1064349489.db2.gz ASFLRGFXHCBFKH-KKSFZXQISA-N 0 0 488.405 4.939 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Sc3nccn3C)CC2=O)c1C ZINC001434921652 1064349648 /nfs/dbraw/zinc/34/96/48/1064349648.db2.gz SRDVNWVAUDSGAN-INIZCTEOSA-N 0 0 454.983 4.833 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1 ZINC001359755700 1064350131 /nfs/dbraw/zinc/35/01/31/1064350131.db2.gz FGQOQJQNXMVDGE-TZIWHRDSSA-N 0 0 474.049 4.549 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCSCc2ccccc2F)CCS1 ZINC001359755978 1064351636 /nfs/dbraw/zinc/35/16/36/1064351636.db2.gz JRDPOBXOIRTILF-WOJBJXKFSA-N 0 0 450.649 4.780 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)C2CC2)CCS1 ZINC001359756063 1064351718 /nfs/dbraw/zinc/35/17/18/1064351718.db2.gz KWWXEDWDWWWOND-SIKLNZKXSA-N 0 0 485.481 4.903 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC001434923382 1064352099 /nfs/dbraw/zinc/35/20/99/1064352099.db2.gz CAOPSOZTRVDCRI-NRFANRHFSA-N 0 0 454.615 4.780 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001359756214 1064352699 /nfs/dbraw/zinc/35/26/99/1064352699.db2.gz NSTNEKJVYVSEBV-NGYIFUPDSA-N 0 0 488.698 4.815 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3cc4c(Br)cccc4cn3)ccc21 ZINC001434923950 1064352772 /nfs/dbraw/zinc/35/27/72/1064352772.db2.gz IIYGWVNIDZIRAR-UHFFFAOYSA-N 0 0 452.308 4.767 20 0 JJADRN CN(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC001434925683 1064353635 /nfs/dbraw/zinc/35/36/35/1064353635.db2.gz XGJDELNFAWKHEY-UHFFFAOYSA-N 0 0 456.951 4.803 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001434925589 1064353692 /nfs/dbraw/zinc/35/36/92/1064353692.db2.gz VZTSHGPSEXTFFV-UHFFFAOYSA-N 0 0 451.489 4.970 20 0 JJADRN Cc1nn(CC(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cc1-c1ccccc1 ZINC001434925138 1064353750 /nfs/dbraw/zinc/35/37/50/1064353750.db2.gz PTHFKVGJAUAECI-UHFFFAOYSA-N 0 0 452.558 4.778 20 0 JJADRN CCCN(C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)[C@H](C)C(=O)Nc1ccccc1 ZINC001434926851 1064354376 /nfs/dbraw/zinc/35/43/76/1064354376.db2.gz WHKGAQAOONBYND-MOPGFXCFSA-N 0 0 450.608 4.779 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359756698 1064354642 /nfs/dbraw/zinc/35/46/42/1064354642.db2.gz WTTRUVZDGOSSKC-QRFRQXIXSA-N 0 0 477.447 4.772 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001434927947 1064355062 /nfs/dbraw/zinc/35/50/62/1064355062.db2.gz GWQSZUDZDSOBDD-HSZRJFAPSA-N 0 0 456.542 4.826 20 0 JJADRN CC(=O)Nc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc(C(F)(F)F)c1 ZINC001434927972 1064355131 /nfs/dbraw/zinc/35/51/31/1064355131.db2.gz ALRXIABWKAYPBF-UHFFFAOYSA-N 0 0 452.436 4.933 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 ZINC001359756925 1064356187 /nfs/dbraw/zinc/35/61/87/1064356187.db2.gz AGHFZBZRTNZOTO-OXQOHEQNSA-N 0 0 459.388 4.998 20 0 JJADRN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001434928573 1064356251 /nfs/dbraw/zinc/35/62/51/1064356251.db2.gz LQRKXEOHONYTTL-HSZRJFAPSA-N 0 0 456.464 4.700 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359756922 1064356282 /nfs/dbraw/zinc/35/62/82/1064356282.db2.gz AFGSMGHLWHUGMN-SNJCGAMXSA-N 0 0 498.672 4.531 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359756920 1064356320 /nfs/dbraw/zinc/35/63/20/1064356320.db2.gz AFGSMGHLWHUGMN-IZBOUPIGSA-N 0 0 498.672 4.531 20 0 JJADRN O=C(Nc1cccc(COC2CCCCC2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001434929075 1064356462 /nfs/dbraw/zinc/35/64/62/1064356462.db2.gz PMMDJMLQCZVMBC-UHFFFAOYSA-N 0 0 456.608 4.963 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)c1 ZINC001434929638 1064357007 /nfs/dbraw/zinc/35/70/07/1064357007.db2.gz FWYLTSNJEFQKIL-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN CC(=O)N1CCCc2cc(NC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)ccc21 ZINC001434930320 1064357548 /nfs/dbraw/zinc/35/75/48/1064357548.db2.gz UAKRLJPJDHSPBM-JOCHJYFZSA-N 0 0 456.384 4.524 20 0 JJADRN Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 ZINC001434930900 1064357627 /nfs/dbraw/zinc/35/76/27/1064357627.db2.gz ZKGSNVVJRUJNSU-UHFFFAOYSA-N 0 0 459.616 4.788 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccccc1Cl ZINC001359757503 1064357632 /nfs/dbraw/zinc/35/76/32/1064357632.db2.gz IEMJHNBDNXZATJ-BWAGFHJFSA-N 0 0 463.022 4.749 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001359757659 1064358214 /nfs/dbraw/zinc/35/82/14/1064358214.db2.gz KBKDGHLFRAEYSW-GHTZIAJQSA-N 0 0 462.038 4.839 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001359757537 1064358262 /nfs/dbraw/zinc/35/82/62/1064358262.db2.gz INPJPLSCTALZFS-NRSPTQNISA-N 0 0 477.447 4.980 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359757549 1064358275 /nfs/dbraw/zinc/35/82/75/1064358275.db2.gz ITGNZHUWJAWCGH-GJYPPUQNSA-N 0 0 483.476 4.694 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCOCC1 ZINC001359757611 1064358328 /nfs/dbraw/zinc/35/83/28/1064358328.db2.gz JMRDYSXKFCAZAW-GHTZIAJQSA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001359757536 1064358356 /nfs/dbraw/zinc/35/83/56/1064358356.db2.gz INPJPLSCTALZFS-JBACZVJFSA-N 0 0 477.447 4.980 20 0 JJADRN Cc1cc(Br)cc(C)c1CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001434932590 1064359101 /nfs/dbraw/zinc/35/91/01/1064359101.db2.gz LVWSIFPFGSJZRY-UHFFFAOYSA-N 0 0 458.805 4.590 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)o2)cc1 ZINC001434932919 1064359174 /nfs/dbraw/zinc/35/91/74/1064359174.db2.gz BCZDNPZDOWXVPS-FQEVSTJZSA-N 0 0 455.352 4.963 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CCCCO)C1CC1 ZINC001359757919 1064359797 /nfs/dbraw/zinc/35/97/97/1064359797.db2.gz MPUNZSDSFVMZLG-DYESRHJHSA-N 0 0 477.447 4.510 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)NCCOc1ccc(Br)cc1 ZINC001434933914 1064359955 /nfs/dbraw/zinc/35/99/55/1064359955.db2.gz CBHDOVDWYKYGFA-UHFFFAOYSA-N 0 0 455.443 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001434935032 1064360454 /nfs/dbraw/zinc/36/04/54/1064360454.db2.gz ZWUNLASDVFOYTF-UQBPGWFLSA-N 0 0 469.607 4.586 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001359758471 1064360515 /nfs/dbraw/zinc/36/05/15/1064360515.db2.gz UXVDMMSZLJCKLT-UKILVPOCSA-N 0 0 497.684 4.633 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1nc(C)c(Cc2ccccc2)s1)c1cccc(Br)c1 ZINC001434935482 1064361094 /nfs/dbraw/zinc/36/10/94/1064361094.db2.gz CQHYJAJMGJKXLQ-LJQANCHMSA-N 0 0 458.381 4.621 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359758938 1064361095 /nfs/dbraw/zinc/36/10/95/1064361095.db2.gz AMLKXORLYCQDOT-PDOGEWKWSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1 ZINC001434935287 1064361274 /nfs/dbraw/zinc/36/12/74/1064361274.db2.gz QBGWLAIQWJPUOW-UHFFFAOYSA-N 0 0 454.617 4.596 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1ccn(C)n1 ZINC001359758906 1064361333 /nfs/dbraw/zinc/36/13/33/1064361333.db2.gz ADHIREOCKNECOA-JPYJTQIMSA-N 0 0 452.603 4.693 20 0 JJADRN CCN(C(=O)c1cccc(Oc2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001434935874 1064361999 /nfs/dbraw/zinc/36/19/99/1064361999.db2.gz FEHREMZRJWHHQF-UHFFFAOYSA-N 0 0 450.438 4.834 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759104 1064362049 /nfs/dbraw/zinc/36/20/49/1064362049.db2.gz CWROAPMCVMCUDC-REWPJTCUSA-N 0 0 473.543 4.980 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359759090 1064362067 /nfs/dbraw/zinc/36/20/67/1064362067.db2.gz CTHDPZMFYUIDLS-PDOGEWKWSA-N 0 0 455.553 4.801 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOCc1ccccc1 ZINC001359759302 1064362581 /nfs/dbraw/zinc/36/25/81/1064362581.db2.gz GGHBBBJOWLPKFK-ZGFBMJKBSA-N 0 0 484.685 4.911 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001359759272 1064362659 /nfs/dbraw/zinc/36/26/59/1064362659.db2.gz FWZNSJFPMMLBFO-KKSFZXQISA-N 0 0 483.440 4.840 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NC2(c3ccc(Br)cc3)CCC2)n1 ZINC001434939514 1064362657 /nfs/dbraw/zinc/36/26/57/1064362657.db2.gz GFRXLLCQEQSTIB-UHFFFAOYSA-N 0 0 453.178 4.934 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC1(C)C ZINC001359759347 1064363413 /nfs/dbraw/zinc/36/34/13/1064363413.db2.gz GVJHIDKRZGEFOR-QFBILLFUSA-N 0 0 464.452 4.876 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001359759442 1064364191 /nfs/dbraw/zinc/36/41/91/1064364191.db2.gz IAPJWCAANICRFD-TXVWBRJLSA-N 0 0 461.651 4.503 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 ZINC001359759780 1064365774 /nfs/dbraw/zinc/36/57/74/1064365774.db2.gz LOQLUUMZECZMLF-UFYCRDLUSA-N 0 0 497.631 4.893 20 0 JJADRN Cc1nnc(Sc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)c(C)c2)s1 ZINC001434944623 1064365878 /nfs/dbraw/zinc/36/58/78/1064365878.db2.gz JUERYYPPHRNVAM-NRFANRHFSA-N 0 0 452.605 4.998 20 0 JJADRN Cc1nnc(Sc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)c(C)c2)s1 ZINC001434944635 1064365942 /nfs/dbraw/zinc/36/59/42/1064365942.db2.gz JUERYYPPHRNVAM-OAQYLSRUSA-N 0 0 452.605 4.998 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359759841 1064366499 /nfs/dbraw/zinc/36/64/99/1064366499.db2.gz MBAAYPLEUMLPLL-DOIPELPJSA-N 0 0 462.679 4.652 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001434947261 1064367271 /nfs/dbraw/zinc/36/72/71/1064367271.db2.gz USFIINRLUPAUDU-UQFOYQTNSA-N 0 0 454.851 4.690 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001359760305 1064367819 /nfs/dbraw/zinc/36/78/19/1064367819.db2.gz RUDQMFMGXNVWBV-HLIPFELVSA-N 0 0 494.478 4.501 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359760306 1064367862 /nfs/dbraw/zinc/36/78/62/1064367862.db2.gz RUDQMFMGXNVWBV-QKLQHJQFSA-N 0 0 494.478 4.501 20 0 JJADRN CCc1c(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001434947365 1064368130 /nfs/dbraw/zinc/36/81/30/1064368130.db2.gz WAALGQLDXCKIMZ-QUCCMNQESA-N 0 0 458.484 4.922 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c(OC(C)C)c1 ZINC001434948376 1064369031 /nfs/dbraw/zinc/36/90/31/1064369031.db2.gz CFBTYZJLROJREA-LJQANCHMSA-N 0 0 453.583 4.620 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3cc(Br)c4ccccc4c3)n[nH]2)c(OC)c1 ZINC001434949225 1064370450 /nfs/dbraw/zinc/37/04/50/1064370450.db2.gz XNNACOXZNPYYEU-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359760990 1064370872 /nfs/dbraw/zinc/37/08/72/1064370872.db2.gz BNCJUXDTAIGVHM-UWJYYQICSA-N 0 0 460.985 4.559 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359760988 1064370983 /nfs/dbraw/zinc/37/09/83/1064370983.db2.gz BNCJUXDTAIGVHM-LAUBAEHRSA-N 0 0 460.985 4.559 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001434950571 1064371053 /nfs/dbraw/zinc/37/10/53/1064371053.db2.gz XFRVVPDGHNBRLQ-KZIPJVBGSA-N 0 0 458.961 4.801 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001359761511 1064372363 /nfs/dbraw/zinc/37/23/63/1064372363.db2.gz IIPAUSWTKHXCCB-VQTJNVASSA-N 0 0 451.537 4.960 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)Nc3cc(CC(C)(C)C)nn3-c3ccccc3)c2C)cc1 ZINC001434951172 1064372737 /nfs/dbraw/zinc/37/27/37/1064372737.db2.gz VKIIYTJKGPADSI-UHFFFAOYSA-N 0 0 458.566 4.670 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1 ZINC001359761712 1064373077 /nfs/dbraw/zinc/37/30/77/1064373077.db2.gz KZVJRHCNZNGOSA-YRISNDGFSA-N 0 0 450.986 4.804 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359761678 1064373201 /nfs/dbraw/zinc/37/32/01/1064373201.db2.gz KMCBXOMDICATAC-LQBOVUBWSA-N 0 0 458.569 4.527 20 0 JJADRN CCCc1c(C(=O)N2CCc3cc(OCC)c(OCC)cc3C2)cnn1-c1ccc(F)cc1 ZINC001434953816 1064373402 /nfs/dbraw/zinc/37/34/02/1064373402.db2.gz ROQOLUVVTIXBOD-UHFFFAOYSA-N 0 0 451.542 4.960 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359761921 1064373732 /nfs/dbraw/zinc/37/37/32/1064373732.db2.gz NRNHTZMHCJHLLA-VABKMULXSA-N 0 0 498.672 4.627 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1 ZINC001359761788 1064373787 /nfs/dbraw/zinc/37/37/87/1064373787.db2.gz MDWQWILEEDQCSN-JTHBVZDNSA-N 0 0 474.671 4.570 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3ncsc3c2)nnn1Cc1cccc(Br)c1 ZINC001434954572 1064374389 /nfs/dbraw/zinc/37/43/89/1064374389.db2.gz SPJBDRJNOMQPCO-UHFFFAOYSA-N 0 0 456.369 4.903 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001434957416 1064374421 /nfs/dbraw/zinc/37/44/21/1064374421.db2.gz BMTCODBCLUTQBQ-UHFFFAOYSA-N 0 0 458.280 4.940 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001359762034 1064374525 /nfs/dbraw/zinc/37/45/25/1064374525.db2.gz PCFXVXOLSYYJDT-GGAORHGYSA-N 0 0 490.714 4.565 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H](C)Cc1ccccc1C ZINC001434959118 1064375053 /nfs/dbraw/zinc/37/50/53/1064375053.db2.gz SVMHBHGTDCHGKG-LJQANCHMSA-N 0 0 456.542 4.551 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2ccc(Cl)c3ncccc23)c1I ZINC001434958362 1064375131 /nfs/dbraw/zinc/37/51/31/1064375131.db2.gz HRLOHBDZNNIBPO-UHFFFAOYSA-N 0 0 454.699 4.697 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001359762333 1064375244 /nfs/dbraw/zinc/37/52/44/1064375244.db2.gz SWDCGPDCAQLNSN-JLHGSKIFSA-N 0 0 456.541 4.662 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br ZINC001359762550 1064375825 /nfs/dbraw/zinc/37/58/25/1064375825.db2.gz WKHOANWTWYGZKY-NQIIRXRSSA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762868 1064377162 /nfs/dbraw/zinc/37/71/62/1064377162.db2.gz ZZAIKSRULJGVQZ-URXFXBBRSA-N 0 0 491.076 4.809 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001359762876 1064377318 /nfs/dbraw/zinc/37/73/18/1064377318.db2.gz ZZTGOMWBPATIBE-LAUBAEHRSA-N 0 0 495.437 4.507 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)s1 ZINC001434961995 1064377229 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ZMSBEVYVJVWPJW-UHFFFAOYSA-N 0 0 454.445 4.549 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001359763878 1064380896 /nfs/dbraw/zinc/38/08/96/1064380896.db2.gz RRIGTUXTZNTYSE-AHJNKEMKSA-N 0 0 462.679 4.652 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C)C2)c1 ZINC001359764001 1064381621 /nfs/dbraw/zinc/38/16/21/1064381621.db2.gz TVMAQVHNFMFSGZ-INIZCTEOSA-N 0 0 485.430 4.915 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1Oc1ccccc1 ZINC001434966364 1064382044 /nfs/dbraw/zinc/38/20/44/1064382044.db2.gz XCKOKQUQOWMSHE-YLJYHZDGSA-N 0 0 456.589 4.571 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1C(F)F ZINC001434968494 1064383404 /nfs/dbraw/zinc/38/34/04/1064383404.db2.gz NFNAHJHBBACUCL-UHFFFAOYSA-N 0 0 453.371 4.759 20 0 JJADRN CC(=O)N1CC[C@@](C)(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)C1 ZINC001434967769 1064383503 /nfs/dbraw/zinc/38/35/03/1064383503.db2.gz MSTOUSVTRBVNTJ-OAQYLSRUSA-N 0 0 451.514 4.827 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)c1 ZINC001359764541 1064383844 /nfs/dbraw/zinc/38/38/44/1064383844.db2.gz DFIKHXRPPCOIKL-JOCHJYFZSA-N 0 0 496.700 4.597 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001359764547 1064384484 /nfs/dbraw/zinc/38/44/84/1064384484.db2.gz DIARLRUPYIIUOC-PXNSSMCTSA-N 0 0 481.563 4.666 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CC[C@H](Oc4ccccn4)C3)nnc2C(C)(C)C)c1 ZINC001359764581 1064384548 /nfs/dbraw/zinc/38/45/48/1064384548.db2.gz FDHLMHDVMJTGFG-QFIPXVFZSA-N 0 0 476.625 4.661 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccn(Cc2ccccc2)c1 ZINC001434969122 1064384931 /nfs/dbraw/zinc/38/49/31/1064384931.db2.gz XVHUPINWVBQPSL-UHFFFAOYSA-N 0 0 453.380 4.777 20 0 JJADRN COC(=O)c1cc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)no1 ZINC001434969893 1064384985 /nfs/dbraw/zinc/38/49/85/1064384985.db2.gz ZZFKSALKBDIQGY-UHFFFAOYSA-N 0 0 451.426 4.657 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1c(Cl)ccc(I)c1F ZINC001434969517 1064385013 /nfs/dbraw/zinc/38/50/13/1064385013.db2.gz ZDDFUVBXBKIOBD-AWEZNQCLSA-N 0 0 459.686 4.900 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1 ZINC001434971444 1064386560 /nfs/dbraw/zinc/38/65/60/1064386560.db2.gz HDOMISNMYHCTRP-MSOLQXFVSA-N 0 0 455.555 4.648 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001434971034 1064386569 /nfs/dbraw/zinc/38/65/69/1064386569.db2.gz DPGRWGZSJQZVGG-SFHVURJKSA-N 0 0 451.918 4.757 20 0 JJADRN CC(C)[C@H](NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1nc(-c2cccnc2)no1 ZINC001434972211 1064387198 /nfs/dbraw/zinc/38/71/98/1064387198.db2.gz VAKONTSBJBLGLY-JPYJTQIMSA-N 0 0 454.530 4.980 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC001434973102 1064387211 /nfs/dbraw/zinc/38/72/11/1064387211.db2.gz HCJQOFMAYAERCN-SFHVURJKSA-N 0 0 457.496 4.740 20 0 JJADRN Cc1cc(C)nc(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1 ZINC001434973700 1064387886 /nfs/dbraw/zinc/38/78/86/1064387886.db2.gz KDOMVTXRYVWNCF-FQEVSTJZSA-N 0 0 453.539 4.507 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1c(-c2cccs2)nc2ccccn21 ZINC001434973345 1064387900 /nfs/dbraw/zinc/38/79/00/1064387900.db2.gz DRFFDRRGZXENFO-UHFFFAOYSA-N 0 0 459.312 4.849 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N[C@@H](CC3CCCCC3)c3ccccc3)CC2=O)c1 ZINC001434974530 1064389586 /nfs/dbraw/zinc/38/95/86/1064389586.db2.gz JBKUYIPRBDBBOK-OFVILXPXSA-N 0 0 450.579 4.885 20 0 JJADRN CC(C)Cc1ncc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)s1 ZINC001434975723 1064391294 /nfs/dbraw/zinc/39/12/94/1064391294.db2.gz GQXTUXFMORYPLW-UHFFFAOYSA-N 0 0 450.402 4.595 20 0 JJADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC001434975558 1064391321 /nfs/dbraw/zinc/39/13/21/1064391321.db2.gz JFGXXWPLSVQGSQ-RBUKOAKNSA-N 0 0 463.322 4.708 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 ZINC001434977211 1064392568 /nfs/dbraw/zinc/39/25/68/1064392568.db2.gz LQWJIVNNYGSRBA-UHFFFAOYSA-N 0 0 457.155 4.642 20 0 JJADRN CC[C@@H](NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccc(C)cc1 ZINC001434977763 1064393401 /nfs/dbraw/zinc/39/34/01/1064393401.db2.gz ZXFDKKXKVOYOGX-JOCHJYFZSA-N 0 0 454.617 4.685 20 0 JJADRN NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)cc2)n1 ZINC001434978388 1064394601 /nfs/dbraw/zinc/39/46/01/1064394601.db2.gz VLOXYXBOCWXUME-UHFFFAOYSA-N 0 0 450.857 4.808 20 0 JJADRN COCc1c(Br)cccc1NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434979271 1064395449 /nfs/dbraw/zinc/39/54/49/1064395449.db2.gz UXTBLNKWYBAIKX-QVKFZJNVSA-N 0 0 453.377 4.571 20 0 JJADRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 ZINC001434979313 1064395509 /nfs/dbraw/zinc/39/55/09/1064395509.db2.gz RXZBONBWOKHXRB-NRFANRHFSA-N 0 0 457.958 4.560 20 0 JJADRN Cc1sccc1CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001434982150 1064398903 /nfs/dbraw/zinc/39/89/03/1064398903.db2.gz OBBKCHRJUPMNCC-UHFFFAOYSA-N 0 0 458.580 4.794 20 0 JJADRN Cc1cccc(CCNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)c1 ZINC001434982750 1064399332 /nfs/dbraw/zinc/39/93/32/1064399332.db2.gz BOWOLPWIPAKBCH-UHFFFAOYSA-N 0 0 458.818 4.856 20 0 JJADRN COc1cccc(-c2cc(C(=O)NCc3cc(Br)ccc3OC(F)F)on2)c1 ZINC001434983371 1064399389 /nfs/dbraw/zinc/39/93/89/1064399389.db2.gz JJABDBBMMUQVNO-UHFFFAOYSA-N 0 0 453.239 4.644 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1C[C@H]1C1CCOCC1 ZINC001434985093 1064401182 /nfs/dbraw/zinc/40/11/82/1064401182.db2.gz DMYFQJRSZZGZQV-QKNQBKEWSA-N 0 0 479.333 4.699 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1OC ZINC001434985981 1064402070 /nfs/dbraw/zinc/40/20/70/1064402070.db2.gz FSHPXKSWQIXYSD-OAQYLSRUSA-N 0 0 451.542 4.871 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001434985707 1064402125 /nfs/dbraw/zinc/40/21/25/1064402125.db2.gz HZAGLQQZXHYRHK-HXUWFJFHSA-N 0 0 459.384 4.792 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001434985706 1064402176 /nfs/dbraw/zinc/40/21/76/1064402176.db2.gz HZAGLQQZXHYRHK-FQEVSTJZSA-N 0 0 459.384 4.792 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 ZINC001434987832 1064403562 /nfs/dbraw/zinc/40/35/62/1064403562.db2.gz ORNFWKIMPWUAAB-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c(OC(F)F)c1 ZINC001434987774 1064403723 /nfs/dbraw/zinc/40/37/23/1064403723.db2.gz ODPGFOWPBXRNDX-UHFFFAOYSA-N 0 0 452.457 4.681 20 0 JJADRN CCc1c(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)nnn1-c1cccc(Cl)c1 ZINC001434988128 1064404404 /nfs/dbraw/zinc/40/44/04/1064404404.db2.gz KVKKXHWGRGSJNM-UHFFFAOYSA-N 0 0 451.889 4.740 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2csc(-c3ncccc3F)n2)cc1OC ZINC001434988386 1064404438 /nfs/dbraw/zinc/40/44/38/1064404438.db2.gz MGRUNYZGPIWTKK-KRWDZBQOSA-N 0 0 455.555 4.989 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)CC1 ZINC001434989312 1064405117 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DWJGIGCOENPOFM-UHFFFAOYSA-N 0 0 488.474 4.958 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359788555 1064443885 /nfs/dbraw/zinc/44/38/85/1064443885.db2.gz FUFMANOSMSUYJY-QNWVGRARSA-N 0 0 485.673 4.994 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359788641 1064443895 /nfs/dbraw/zinc/44/38/95/1064443895.db2.gz GTXXNKFSEMSFNJ-KXBFYZLASA-N 0 0 465.545 4.804 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359788638 1064443960 /nfs/dbraw/zinc/44/39/60/1064443960.db2.gz GTXXNKFSEMSFNJ-DNVCBOLYSA-N 0 0 465.545 4.804 20 0 JJADRN CCCc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001435028222 1064445489 /nfs/dbraw/zinc/44/54/89/1064445489.db2.gz QKKDORWHNYEYEP-KRWDZBQOSA-N 0 0 459.594 4.527 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCc1ccccc1F ZINC001359789422 1064445471 /nfs/dbraw/zinc/44/54/71/1064445471.db2.gz OCBQKYRCANSLGG-GHTZIAJQSA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1sccc1Br ZINC001359789555 1064446429 /nfs/dbraw/zinc/44/64/29/1064446429.db2.gz PORUQWWBKKNMIP-RISCZKNCSA-N 0 0 467.355 4.505 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1sccc1Br ZINC001359789552 1064446553 /nfs/dbraw/zinc/44/65/53/1064446553.db2.gz PORUQWWBKKNMIP-BXUZGUMPSA-N 0 0 467.355 4.505 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC001435030248 1064447440 /nfs/dbraw/zinc/44/74/40/1064447440.db2.gz WDMUQDHQDHIVCY-AWEZNQCLSA-N 0 0 452.374 4.978 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)cc1 ZINC001359790374 1064447370 /nfs/dbraw/zinc/44/73/70/1064447370.db2.gz QJSUUXGUGOMZRA-UHFFFAOYSA-N 0 0 454.567 4.667 20 0 JJADRN Cc1csc([C@H](C)NC(=O)c2cc(I)ccc2N2CCCCC2)n1 ZINC001359790724 1064447425 /nfs/dbraw/zinc/44/74/25/1064447425.db2.gz UJOJXLHNJYDWEE-ZDUSSCGKSA-N 0 0 455.365 4.537 20 0 JJADRN 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CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359793277 1064451120 /nfs/dbraw/zinc/45/11/20/1064451120.db2.gz OSXYVWAGFFUKHI-HFTZPDGKSA-N 0 0 484.538 4.871 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034242 1064451132 /nfs/dbraw/zinc/45/11/32/1064451132.db2.gz HIOQFLZWGXWYOM-QHCPKHFHSA-N 0 0 458.530 4.794 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359793470 1064451178 /nfs/dbraw/zinc/45/11/78/1064451178.db2.gz PFYGZCZGJOJTFW-JAXLGGSGSA-N 0 0 471.646 4.698 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359793826 1064451985 /nfs/dbraw/zinc/45/19/85/1064451985.db2.gz RLUYMQVPHYPIDQ-YLJYHZDGSA-N 0 0 485.620 4.779 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359794346 1064452587 /nfs/dbraw/zinc/45/25/87/1064452587.db2.gz WDFFXJXGDSBJTO-GDBMZVCRSA-N 0 0 459.582 4.629 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)c1 ZINC001359794912 1064453654 /nfs/dbraw/zinc/45/36/54/1064453654.db2.gz BVGRLQHALMVDHA-UHFFFAOYSA-N 0 0 455.482 4.854 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359796097 1064455363 /nfs/dbraw/zinc/45/53/63/1064455363.db2.gz ULSQSFJDORZRLZ-JENIJYKNSA-N 0 0 483.579 4.678 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CCCN1C(=O)c1ccccc1 ZINC001435039038 1064455435 /nfs/dbraw/zinc/45/54/35/1064455435.db2.gz YRQXZSDQPMRVSJ-NRFANRHFSA-N 0 0 458.996 4.976 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)CCCOc2ccccc2Br)c1 ZINC001359796193 1064455555 /nfs/dbraw/zinc/45/55/55/1064455555.db2.gz UPLSIFQJOMKEJI-UHFFFAOYSA-N 0 0 452.370 4.653 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)C(=O)OC ZINC001435039154 1064456288 /nfs/dbraw/zinc/45/62/88/1064456288.db2.gz CLEJOSMXTAGBHZ-SZNDQCEHSA-N 0 0 455.352 4.982 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 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LBNHNXAAVCOSFA-UHFFFAOYSA-N 0 0 450.963 4.637 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)NCc1cccc(COC2CCOCC2)c1 ZINC001435040853 1064457953 /nfs/dbraw/zinc/45/79/53/1064457953.db2.gz YBFHSWDKSQLFHU-UHFFFAOYSA-N 0 0 452.776 4.657 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1Cc1csc(-c2ccco2)n1 ZINC001359797054 1064457993 /nfs/dbraw/zinc/45/79/93/1064457993.db2.gz TWKXXPCCVTUKCB-GOSISDBHSA-N 0 0 484.670 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1ccccc1OC(F)F ZINC001359796914 1064458122 /nfs/dbraw/zinc/45/81/22/1064458122.db2.gz ORPBBUJQAUIKQC-UHFFFAOYSA-N 0 0 489.611 4.601 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2SC(=O)N(C)C)c2cnn(Cc3cccs3)c2n1 ZINC001435041616 1064458166 /nfs/dbraw/zinc/45/81/66/1064458166.db2.gz MZMQIMNTGRYXJO-UHFFFAOYSA-N 0 0 451.577 4.876 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@@H]2CC)n1Cc1ccc(F)cc1 ZINC001545888359 1064458814 /nfs/dbraw/zinc/45/88/14/1064458814.db2.gz IWBFHONJSJMLSV-FQEVSTJZSA-N 0 0 455.603 4.959 20 0 JJADRN 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VSWFOJCHKODCLP-UHFFFAOYSA-N 0 0 454.493 4.704 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001435047453 1064463829 /nfs/dbraw/zinc/46/38/29/1064463829.db2.gz WBGSCZJHFVTJGU-OAQYLSRUSA-N 0 0 457.546 4.747 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1C(F)F ZINC001435047400 1064463835 /nfs/dbraw/zinc/46/38/35/1064463835.db2.gz VLWWDGWBCLDBBA-INIZCTEOSA-N 0 0 450.530 4.788 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC001435047553 1064463878 /nfs/dbraw/zinc/46/38/78/1064463878.db2.gz WAQIZCILSNQSJY-UHFFFAOYSA-N 0 0 453.882 4.543 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCOc1ccccc1Cl ZINC001359798885 1064463930 /nfs/dbraw/zinc/46/39/30/1064463930.db2.gz SHESQDBOYVASDU-OAQYLSRUSA-N 0 0 474.955 4.739 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COc1cc(Cl)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048064 1064464701 /nfs/dbraw/zinc/46/47/01/1064464701.db2.gz AZYNFIVTLWVSMK-BXKMTCNYSA-N 0 0 458.002 4.797 20 0 JJADRN 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ODAKEBXYIVVMAM-UHFFFAOYSA-N 0 0 458.356 4.596 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CC(C)C)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001359805910 1064475071 /nfs/dbraw/zinc/47/50/71/1064475071.db2.gz REQBPDPYGAFIEL-FYYLOGMGSA-N 0 0 453.631 4.515 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359805526 1064475364 /nfs/dbraw/zinc/47/53/64/1064475364.db2.gz OGAQJOJTVANIFI-QFIPXVFZSA-N 0 0 463.592 4.820 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC1CCCC1 ZINC001435056467 1064475433 /nfs/dbraw/zinc/47/54/33/1064475433.db2.gz PJEZGPASBRLPMD-IBVKSMDESA-N 0 0 458.599 4.670 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 ZINC001435056776 1064475610 /nfs/dbraw/zinc/47/56/10/1064475610.db2.gz TWQOXKDOLPPMTP-UHFFFAOYSA-N 0 0 459.453 4.979 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359806206 1064476215 /nfs/dbraw/zinc/47/62/15/1064476215.db2.gz QXMYPPBWFKOCLN-QFIPXVFZSA-N 0 0 480.575 4.999 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001359806176 1064476365 /nfs/dbraw/zinc/47/63/65/1064476365.db2.gz QRKNRJIJDHOWRM-QUCCMNQESA-N 0 0 488.702 4.963 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435057890 1064476246 /nfs/dbraw/zinc/47/62/46/1064476246.db2.gz YXFZYTPSTPGPIY-SNRMKQJTSA-N 0 0 459.543 4.679 20 0 JJADRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001435057958 1064476354 /nfs/dbraw/zinc/47/63/54/1064476354.db2.gz FCEKBUZDQVHCRO-OAHLLOKOSA-N 0 0 458.436 4.809 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c(C)c1 ZINC001435059060 1064477177 /nfs/dbraw/zinc/47/71/77/1064477177.db2.gz DSIPZOIECPFMFG-OAQYLSRUSA-N 0 0 457.571 4.581 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC001435058927 1064477264 /nfs/dbraw/zinc/47/72/64/1064477264.db2.gz COIPJOATTWFRCO-LIRRHRJNSA-N 0 0 453.391 4.918 20 0 JJADRN 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Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)nn1-c1ccccc1Cl ZINC001435061955 1064479707 /nfs/dbraw/zinc/47/97/07/1064479707.db2.gz UMZFSZCUDYNMFL-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN CCCOc1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)cc1OCCC ZINC001435060902 1064479865 /nfs/dbraw/zinc/47/98/65/1064479865.db2.gz PCFLPOLCMLUCDK-NRFANRHFSA-N 0 0 456.608 4.655 20 0 JJADRN CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(OC)cc1 ZINC001359808510 1064480864 /nfs/dbraw/zinc/48/08/64/1064480864.db2.gz YWCQDDZKHKVHLU-PXNSSMCTSA-N 0 0 459.384 4.858 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001359809497 1064483351 /nfs/dbraw/zinc/48/33/51/1064483351.db2.gz SQMYPYOAJFYNBJ-OAQYLSRUSA-N 0 0 498.672 4.592 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001435064373 1064483458 /nfs/dbraw/zinc/48/34/58/1064483458.db2.gz COXNLLODZICBBX-WXTAPIANSA-N 0 0 454.615 4.621 20 0 JJADRN COc1ccc([C@@H](NC(=O)C(=O)c2ccccc2OC)c2ccccc2)cc1Br ZINC001359810268 1064484918 /nfs/dbraw/zinc/48/49/18/1064484918.db2.gz KDXSBTJITMYVRD-NRFANRHFSA-N 0 0 454.320 4.555 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)c2ccccc2)cc1Br ZINC001359810299 1064484968 /nfs/dbraw/zinc/48/49/68/1064484968.db2.gz LQSJZWMEARIALK-JTSKRJEESA-N 0 0 454.368 4.517 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)N1CCCc2cccc(OCc3occc3C(=O)OC)c21 ZINC001359810370 1064485022 /nfs/dbraw/zinc/48/50/22/1064485022.db2.gz OMPFISNWOFGEHB-GHTZIAJQSA-N 0 0 455.551 4.910 20 0 JJADRN COc1ccc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1-c1ccccn1 ZINC001435066114 1064485990 /nfs/dbraw/zinc/48/59/90/1064485990.db2.gz HYKPLTGJFJNEMI-DWXRJYCRSA-N 0 0 453.583 4.961 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCC[C@H]1CCCCO1 ZINC001359811058 1064486023 /nfs/dbraw/zinc/48/60/23/1064486023.db2.gz CDGKYBAZUXPQIX-LJQANCHMSA-N 0 0 468.568 4.883 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359811176 1064486617 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ZHBZFZKGQPSKRO-UHFFFAOYSA-N 0 0 475.563 4.670 20 0 JJADRN CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001435067730 1064488352 /nfs/dbraw/zinc/48/83/52/1064488352.db2.gz MATRPQFNHNTATF-XTEPFMGCSA-N 0 0 455.602 4.809 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435067863 1064488397 /nfs/dbraw/zinc/48/83/97/1064488397.db2.gz BLBUEONFHNZKAZ-UHFFFAOYSA-N 0 0 450.539 4.754 20 0 JJADRN CCCn1c(C)c(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)c2cc(OC)ccc21 ZINC001435067608 1064488452 /nfs/dbraw/zinc/48/84/52/1064488452.db2.gz VCQAXEPRNUCQHV-QFIPXVFZSA-N 0 0 451.592 4.831 20 0 JJADRN Cc1ccc2c(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)csc2c1 ZINC001435067917 1064488541 /nfs/dbraw/zinc/48/85/41/1064488541.db2.gz BNWRFWKZRWZORJ-UHFFFAOYSA-N 0 0 452.580 4.914 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NC1CCN(c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001435068465 1064489353 /nfs/dbraw/zinc/48/93/53/1064489353.db2.gz DHVVJGKFOVAWOP-HSZRJFAPSA-N 0 0 453.558 4.586 20 0 JJADRN CC(C)OCCOCc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC001359812730 1064489269 /nfs/dbraw/zinc/48/92/69/1064489269.db2.gz KQYSNPJMJYXZKD-RTWAWAEBSA-N 0 0 463.372 4.502 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3ncc4ccccc43)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359812786 1064489281 /nfs/dbraw/zinc/48/92/81/1064489281.db2.gz RMKOLSZVOFYVHW-UHFFFAOYSA-N 0 0 495.672 4.971 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001359813025 1064490202 /nfs/dbraw/zinc/49/02/02/1064490202.db2.gz MQAOSFXJIJTVLE-LSDHHAIUSA-N 0 0 454.368 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1cccc(C(F)F)c1 ZINC001359814392 1064491804 /nfs/dbraw/zinc/49/18/04/1064491804.db2.gz DEAGZWSFMVBMSM-UHFFFAOYSA-N 0 0 463.573 4.956 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(Br)s1 ZINC001359814645 1064492665 /nfs/dbraw/zinc/49/26/65/1064492665.db2.gz MNLAPIQZSWFCJI-HNNXBMFYSA-N 0 0 498.491 4.647 20 0 JJADRN Cn1nc(Br)cc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435070907 1064493051 /nfs/dbraw/zinc/49/30/51/1064493051.db2.gz CPUUYGAZKYFMKZ-LLVKDONJSA-N 0 0 456.056 4.796 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CC(C)(C)c1ccccn1 ZINC001359814979 1064494563 /nfs/dbraw/zinc/49/45/63/1064494563.db2.gz CXMRRBNSVXFSAJ-UHFFFAOYSA-N 0 0 469.580 4.616 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001359815186 1064494611 /nfs/dbraw/zinc/49/46/11/1064494611.db2.gz XAWFBWUQRMRBFT-XMMPIXPASA-N 0 0 458.006 4.712 20 0 JJADRN COc1ccc(C(=O)NC(CC(C)C)CC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001435072112 1064494829 /nfs/dbraw/zinc/49/48/29/1064494829.db2.gz DWFYVYMBZZRJJN-OALUTQOASA-N 0 0 452.661 4.552 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1 ZINC001435073703 1064495594 /nfs/dbraw/zinc/49/55/94/1064495594.db2.gz FOIAFUDUENZPSU-DJJJIMSYSA-N 0 0 458.381 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001359815591 1064496132 /nfs/dbraw/zinc/49/61/32/1064496132.db2.gz PSOIIDRVOAKXMK-JOCHJYFZSA-N 0 0 483.701 4.530 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1Cc1sccc1Br ZINC001359815605 1064496181 /nfs/dbraw/zinc/49/61/81/1064496181.db2.gz PWWQWDHESRNUOI-NRFANRHFSA-N 0 0 479.419 4.586 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCc1ccc(Br)s1 ZINC001359815352 1064496303 /nfs/dbraw/zinc/49/63/03/1064496303.db2.gz IYWWUOWSWJDSBL-QFIPXVFZSA-N 0 0 493.446 4.780 20 0 JJADRN COCCN1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CC1=O ZINC001435074200 1064496354 /nfs/dbraw/zinc/49/63/54/1064496354.db2.gz NLLCENPGNPDRCE-GFCCVEGCSA-N 0 0 457.741 4.873 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(-c2cccc(Cl)c2F)no1)C1CC1 ZINC001435073814 1064496431 /nfs/dbraw/zinc/49/64/31/1064496431.db2.gz SMTPNKUSMZJTKF-FQEVSTJZSA-N 0 0 456.901 4.913 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001435074571 1064496576 /nfs/dbraw/zinc/49/65/76/1064496576.db2.gz NIXSPYCXJAJZRU-UHFFFAOYSA-N 0 0 451.158 4.689 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N(CC(C)(C)C)CC(F)(F)F)nnc1-c1ccccc1 ZINC001435075524 1064497256 /nfs/dbraw/zinc/49/72/56/1064497256.db2.gz QVHFGPGGOLUOPC-OAHLLOKOSA-N 0 0 458.550 4.682 20 0 JJADRN CN(C(=O)c1nc2ccccc2cc1Br)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001435074754 1064497277 /nfs/dbraw/zinc/49/72/77/1064497277.db2.gz GOANBUKDMSCQCA-SFHVURJKSA-N 0 0 458.743 4.528 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC001359816418 1064498817 /nfs/dbraw/zinc/49/88/17/1064498817.db2.gz HUXKLVAVVWUQPA-UHFFFAOYSA-N 0 0 451.527 4.975 20 0 JJADRN COC(=O)c1ccc(OC)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001359817338 1064499894 /nfs/dbraw/zinc/49/98/94/1064499894.db2.gz VFKXKFYDDHSJQQ-UHFFFAOYSA-N 0 0 453.339 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001435077245 1064499887 /nfs/dbraw/zinc/49/98/87/1064499887.db2.gz XSZHTVPLXBOMBN-XZOQPEGZSA-N 0 0 450.579 4.809 20 0 JJADRN CC(C)Oc1ncccc1C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435077251 1064499901 /nfs/dbraw/zinc/49/99/01/1064499901.db2.gz XYRFESCMVUZZTF-OAQYLSRUSA-N 0 0 453.583 4.911 20 0 JJADRN CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC001435077382 1064499950 /nfs/dbraw/zinc/49/99/50/1064499950.db2.gz AAJFSAZXYYRIAQ-UHFFFAOYSA-N 0 0 456.428 4.762 20 0 JJADRN COCc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001435077598 1064500481 /nfs/dbraw/zinc/50/04/81/1064500481.db2.gz ZENUQZIREWBIDX-DEOSSOPVSA-N 0 0 452.595 4.804 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359817684 1064500327 /nfs/dbraw/zinc/50/03/27/1064500327.db2.gz HRIQUZOGECTCMX-NYLDSWQDSA-N 0 0 477.694 4.954 20 0 JJADRN CCN(C(=O)c1cn(-c2ccccc2Cl)nn1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001435078138 1064500590 /nfs/dbraw/zinc/50/05/90/1064500590.db2.gz GDKCTTLROPHUEX-JOCHJYFZSA-N 0 0 453.880 4.846 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccnc1OCC(F)F ZINC001435078675 1064501000 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AJFDXYVEOOCPOK-UHFFFAOYSA-N 0 0 455.594 4.797 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001359818413 1064502340 /nfs/dbraw/zinc/50/23/40/1064502340.db2.gz DCKHUHGBDDETBH-HSZRJFAPSA-N 0 0 452.595 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001359818777 1064502360 /nfs/dbraw/zinc/50/23/60/1064502360.db2.gz LMFWYXXFSWWLHS-RUZDIDTESA-N 0 0 455.530 4.735 20 0 JJADRN CCCC1CCC(N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)CC1 ZINC001435080983 1064503202 /nfs/dbraw/zinc/50/32/02/1064503202.db2.gz SVNUBSOTFYQJIH-FUHYEJFZSA-N 0 0 452.636 4.822 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001435082176 1064503746 /nfs/dbraw/zinc/50/37/46/1064503746.db2.gz BVTNZCFRPYKXEB-XMMPIXPASA-N 0 0 454.567 4.764 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c(C)c1 ZINC001359820939 1064503919 /nfs/dbraw/zinc/50/39/19/1064503919.db2.gz XVTSZKKWSYFGEI-JXFKEZNVSA-N 0 0 454.621 4.514 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cccc(Br)c3C2)n1C[C@H]1CSCCS1 ZINC001359821696 1064504565 /nfs/dbraw/zinc/50/45/65/1064504565.db2.gz RRVSUFJDERXRGT-INIZCTEOSA-N 0 0 467.502 4.650 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC001435084309 1064505647 /nfs/dbraw/zinc/50/56/47/1064505647.db2.gz ALLVZVSCBPNIEW-HXUWFJFHSA-N 0 0 453.396 4.551 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)s2)cc1OC ZINC001435085163 1064505923 /nfs/dbraw/zinc/50/59/23/1064505923.db2.gz XCURHIHKJMADHD-MRXNPFEDSA-N 0 0 458.511 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(F)cc3C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359823763 1064506345 /nfs/dbraw/zinc/50/63/45/1064506345.db2.gz ZRDAKUXJUFBWPE-IBGZPJMESA-N 0 0 471.621 4.826 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)/C=C/c2ccccc2C(F)(F)F)c1 ZINC001435086657 1064506496 /nfs/dbraw/zinc/50/64/96/1064506496.db2.gz ZVXAWGRQYLJNDL-BUHFOSPRSA-N 0 0 453.464 4.849 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Br)ccc3C2)n1CC1(CC)CC1 ZINC001545888758 1064506523 /nfs/dbraw/zinc/50/65/23/1064506523.db2.gz XKDHDBCRRBKNSR-UHFFFAOYSA-N 0 0 474.447 4.712 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001359824412 1064506615 /nfs/dbraw/zinc/50/66/15/1064506615.db2.gz MJYMXOMTSLKHEU-DNVCBOLYSA-N 0 0 454.489 4.953 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1C ZINC001359824399 1064506661 /nfs/dbraw/zinc/50/66/61/1064506661.db2.gz MCMRBYLPXHKAMJ-FQEVSTJZSA-N 0 0 455.580 4.649 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001435087948 1064507030 /nfs/dbraw/zinc/50/70/30/1064507030.db2.gz HLBDVNYRQWDMNW-UHFFFAOYSA-N 0 0 458.381 4.997 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)ccn1 ZINC001435087278 1064507168 /nfs/dbraw/zinc/50/71/68/1064507168.db2.gz GUQLHLAMJVUFFG-KRWDZBQOSA-N 0 0 450.539 4.653 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN(Cc2ccccc2)c2ccccc2)c(C)c1 ZINC001359824462 1064507304 /nfs/dbraw/zinc/50/73/04/1064507304.db2.gz NORHFJVZBAIYLQ-VWLOTQADSA-N 0 0 459.615 4.850 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCc1ccc(Br)s1 ZINC001359825122 1064507524 /nfs/dbraw/zinc/50/75/24/1064507524.db2.gz BUKJCHNAEAAOMQ-WBVHZDCISA-N 0 0 453.450 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001359826368 1064508093 /nfs/dbraw/zinc/50/80/93/1064508093.db2.gz NNPZVMBYBSZAEN-CUVVAGTFSA-N 0 0 477.694 4.547 20 0 JJADRN Cc1cc(C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc(S(=O)(=O)N(C)C)c1C ZINC001435090944 1064508408 /nfs/dbraw/zinc/50/84/08/1064508408.db2.gz OSYHQSGFGFRBSA-UHFFFAOYSA-N 0 0 458.530 4.679 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1Cc1ccc(F)c(F)c1 ZINC001359826867 1064508616 /nfs/dbraw/zinc/50/86/16/1064508616.db2.gz SHYXXQLCZXDBFH-KRWDZBQOSA-N 0 0 488.970 4.707 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC001435091367 1064508661 /nfs/dbraw/zinc/50/86/61/1064508661.db2.gz RTYUYMZAVJGOQB-SFHVURJKSA-N 0 0 452.986 4.847 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)OCc3cnc(-c4ccccc4)s3)cc2CN1C(=O)OC(C)(C)C ZINC001435091811 1064508727 /nfs/dbraw/zinc/50/87/27/1064508727.db2.gz WPKCRRRAJNMPTO-OAHLLOKOSA-N 0 0 454.552 4.503 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359826727 1064508693 /nfs/dbraw/zinc/50/86/93/1064508693.db2.gz UCZDSJMSNBFGKH-NMVJMZGASA-N 0 0 496.700 4.696 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC001359827504 1064509383 /nfs/dbraw/zinc/50/93/83/1064509383.db2.gz CRZKRUHNGACSLV-UHFFFAOYSA-N 0 0 453.709 4.670 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H](C)c1nccs1 ZINC001545888689 1064509377 /nfs/dbraw/zinc/50/93/77/1064509377.db2.gz UTWYQHDEWBIHLG-HNNXBMFYSA-N 0 0 473.046 4.673 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359827422 1064509633 /nfs/dbraw/zinc/50/96/33/1064509633.db2.gz ZSUCEPIGXFIRDN-DLBZAZTESA-N 0 0 461.573 4.805 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)COc3c(C)occc3=O)cc2)CC1 ZINC001359827825 1064510126 /nfs/dbraw/zinc/51/01/26/1064510126.db2.gz QURUYBBPDJPQIT-UHFFFAOYSA-N 0 0 454.567 4.579 20 0 JJADRN CCc1c(C(=O)Nc2nc3c(cc(F)cc3OC)s2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435093803 1064509957 /nfs/dbraw/zinc/50/99/57/1064509957.db2.gz UODGCQDVDNZTMU-UHFFFAOYSA-N 0 0 455.515 4.627 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC001435093219 1064510046 /nfs/dbraw/zinc/51/00/46/1064510046.db2.gz OUQTYQIVZBWCPZ-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN COc1ccc(-c2nc(COC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)no2)cc1 ZINC001435094464 1064510660 /nfs/dbraw/zinc/51/06/60/1064510660.db2.gz ZVUVAVUBSCFFGV-UHFFFAOYSA-N 0 0 455.923 4.732 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435095192 1064511092 /nfs/dbraw/zinc/51/10/92/1064511092.db2.gz JFAROWNRMJTRSJ-NMJXDZPISA-N 0 0 457.014 4.806 20 0 JJADRN Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001435095687 1064511117 /nfs/dbraw/zinc/51/11/17/1064511117.db2.gz NCEVHYZGOMBVPD-SFTDATJTSA-N 0 0 457.368 4.662 20 0 JJADRN CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001435096782 1064511430 /nfs/dbraw/zinc/51/14/30/1064511430.db2.gz JAXHOUMFIUANBU-MRXNPFEDSA-N 0 0 453.029 4.800 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)c2ccsc2Br)c2ccc(Cl)cc2)CCO1 ZINC001435095847 1064511557 /nfs/dbraw/zinc/51/15/57/1064511557.db2.gz OYUFWQQCOBMJGO-INIZCTEOSA-N 0 0 457.821 4.746 20 0 JJADRN C[C@H](c1cccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1)N1CCOCC1 ZINC001435096035 1064511648 /nfs/dbraw/zinc/51/16/48/1064511648.db2.gz BGEYJPITJJXBPW-QGZVFWFLSA-N 0 0 458.400 4.695 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001435096174 1064511725 /nfs/dbraw/zinc/51/17/25/1064511725.db2.gz SJQRKJOGYRHIQD-FQEVSTJZSA-N 0 0 451.394 4.974 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359830213 1064512618 /nfs/dbraw/zinc/51/26/18/1064512618.db2.gz DTIKMMHOXURCKT-YPAWHYETSA-N 0 0 477.694 4.669 20 0 JJADRN CC(C)[C@H](C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435101247 1064514407 /nfs/dbraw/zinc/51/44/07/1064514407.db2.gz PRUHAHKNDZFPFB-LPHOPBHVSA-N 0 0 450.576 4.802 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CC[S@](=O)C(C)(C)C ZINC001359831246 1064514874 /nfs/dbraw/zinc/51/48/74/1064514874.db2.gz ZMEFSMPNPHCOGO-WEZXKFLESA-N 0 0 455.672 4.889 20 0 JJADRN O=C(Cc1ccccc1O[C@H]1CCOC1)N1CCCc2cc(Br)cc(Cl)c21 ZINC001435101797 1064515079 /nfs/dbraw/zinc/51/50/79/1064515079.db2.gz NXXLNGQEYXOKTQ-KRWDZBQOSA-N 0 0 450.760 4.792 20 0 JJADRN CCCCC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1 ZINC001359831818 1064515329 /nfs/dbraw/zinc/51/53/29/1064515329.db2.gz QAUSPDUJDBYEFL-LEWJYISDSA-N 0 0 455.603 4.902 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001359832604 1064515795 /nfs/dbraw/zinc/51/57/95/1064515795.db2.gz MGGBVHIRHTVBQP-OAQYLSRUSA-N 0 0 478.685 4.969 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC(C)(C)c1ccccn1 ZINC001359832613 1064515876 /nfs/dbraw/zinc/51/58/76/1064515876.db2.gz MNNACQFFHOUOIY-SFHVURJKSA-N 0 0 475.563 4.906 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 ZINC001435105452 1064516067 /nfs/dbraw/zinc/51/60/67/1064516067.db2.gz VVXVBJICGXDDLP-UHFFFAOYSA-N 0 0 452.576 4.855 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)n1 ZINC001435105261 1064516341 /nfs/dbraw/zinc/51/63/41/1064516341.db2.gz RVDLURKOBKXPST-UHFFFAOYSA-N 0 0 453.804 4.853 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2cc(I)ccc2C)cc1 ZINC001435106430 1064516734 /nfs/dbraw/zinc/51/67/34/1064516734.db2.gz FOTVVLHYSPUJMQ-CQSZACIVSA-N 0 0 455.361 4.829 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CCCS1(=O)=O ZINC001435107655 1064517257 /nfs/dbraw/zinc/51/72/57/1064517257.db2.gz BCBCHJGKBWUJBS-SFHVURJKSA-N 0 0 458.761 4.801 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001359833051 1064517929 /nfs/dbraw/zinc/51/79/29/1064517929.db2.gz SNWHWEMCBQXCMZ-INIZCTEOSA-N 0 0 499.488 4.578 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001359833406 1064518264 /nfs/dbraw/zinc/51/82/64/1064518264.db2.gz IIIWTFINJRSURA-FCEWJHQRSA-N 0 0 451.375 4.646 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1nn(C)cc1I)[C@@H]1CCC[C@H](C)C1 ZINC001435108787 1064518335 /nfs/dbraw/zinc/51/83/35/1064518335.db2.gz HRYWIFRRDSDWSX-JCKWVBRZSA-N 0 0 451.352 4.631 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001435109553 1064518942 /nfs/dbraw/zinc/51/89/42/1064518942.db2.gz PBGDPZVRBNILKE-OAHLLOKOSA-N 0 0 452.414 4.980 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1Cc1ccoc1 ZINC001359833491 1064519278 /nfs/dbraw/zinc/51/92/78/1064519278.db2.gz YDJFBLDKXIUURZ-SFHVURJKSA-N 0 0 467.561 4.589 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC001435110241 1064519546 /nfs/dbraw/zinc/51/95/46/1064519546.db2.gz VTMVHHDWRJJGQB-UHFFFAOYSA-N 0 0 453.564 4.846 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccc(F)cc1 ZINC001359833516 1064519701 /nfs/dbraw/zinc/51/97/01/1064519701.db2.gz YPBLTVBDSIUIFS-SFHVURJKSA-N 0 0 450.484 4.721 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110843 1064520424 /nfs/dbraw/zinc/52/04/24/1064520424.db2.gz ZKBFWLUWGJCJPK-SKOFVLAMSA-N 0 0 475.677 4.868 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001435111395 1064520459 /nfs/dbraw/zinc/52/04/59/1064520459.db2.gz HLTLMBVBDINORN-UHFFFAOYSA-N 0 0 452.482 4.903 20 0 JJADRN COc1ccc(CCCC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1OC ZINC001435110916 1064520508 /nfs/dbraw/zinc/52/05/08/1064520508.db2.gz XBIIXAAPBXJAKT-UHFFFAOYSA-N 0 0 459.608 4.913 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@](C)(O)c1ccccc1Cl ZINC001359834725 1064520682 /nfs/dbraw/zinc/52/06/82/1064520682.db2.gz KAFCNRVQMVFKRP-IERDGZPVSA-N 0 0 474.955 4.585 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)[C@H]1c1cccnc1 ZINC001435112291 1064520950 /nfs/dbraw/zinc/52/09/50/1064520950.db2.gz MJQVLOHKPDHXNM-AZGAKELHSA-N 0 0 459.546 4.611 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COCc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112238 1064521004 /nfs/dbraw/zinc/52/10/04/1064521004.db2.gz UXTBPHHBCGQHFN-KDYSTLNUSA-N 0 0 450.623 4.524 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112230 1064521074 /nfs/dbraw/zinc/52/10/74/1064521074.db2.gz UWBLXPOWMOVWTH-MHECFPHRSA-N 0 0 457.014 4.974 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359834749 1064521278 /nfs/dbraw/zinc/52/12/78/1064521278.db2.gz KOJGFNGNDGTTGP-SFHVURJKSA-N 0 0 474.719 4.604 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001359834936 1064521760 /nfs/dbraw/zinc/52/17/60/1064521760.db2.gz OMKRIKPAXXQPIG-BVSLBCMMSA-N 0 0 458.050 4.990 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359834963 1064521893 /nfs/dbraw/zinc/52/18/93/1064521893.db2.gz OURSEVZFEAVCRV-QZTJIDSGSA-N 0 0 491.599 4.527 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001359834937 1064521907 /nfs/dbraw/zinc/52/19/07/1064521907.db2.gz OMKRIKPAXXQPIG-CEMLEFRQSA-N 0 0 458.050 4.990 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC001435114060 1064521990 /nfs/dbraw/zinc/52/19/90/1064521990.db2.gz GMTZDZFKSIISNP-UHFFFAOYSA-N 0 0 458.921 4.729 20 0 JJADRN COCCOc1ccc(C(=O)Nc2cc(Br)ccc2-n2cccn2)c(Cl)c1 ZINC001435114278 1064522051 /nfs/dbraw/zinc/52/20/51/1064522051.db2.gz NUGBCTUKSZIQMQ-UHFFFAOYSA-N 0 0 450.720 4.566 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359835633 1064523030 /nfs/dbraw/zinc/52/30/30/1064523030.db2.gz YVXMFKVYRVHTMY-LEWJYISDSA-N 0 0 457.638 4.926 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1Cc1ccc(I)cc1 ZINC001359836335 1064523179 /nfs/dbraw/zinc/52/31/79/1064523179.db2.gz ILCHUEYDYIYCFC-FQEVSTJZSA-N 0 0 494.421 4.525 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC001359835956 1064523267 /nfs/dbraw/zinc/52/32/67/1064523267.db2.gz PPUXUVXBCOXJFQ-OAQYLSRUSA-N 0 0 454.636 4.877 20 0 JJADRN COc1cccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)c1OC1CCCC1 ZINC001435115232 1064523208 /nfs/dbraw/zinc/52/32/08/1064523208.db2.gz DJKSVLRGHZXJBY-UHFFFAOYSA-N 0 0 458.352 4.871 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001435116006 1064523683 /nfs/dbraw/zinc/52/36/83/1064523683.db2.gz KZASHECSXYHQMU-UHFFFAOYSA-N 0 0 454.573 4.631 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCc2cscn2)c1 ZINC001359837569 1064524059 /nfs/dbraw/zinc/52/40/59/1064524059.db2.gz IGYCTUJFSDMRQY-OSPHWJPCSA-N 0 0 459.612 4.926 20 0 JJADRN COc1cccc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1OC1CCCC1 ZINC001435116318 1064524172 /nfs/dbraw/zinc/52/41/72/1064524172.db2.gz PDSOFIJSQBAQIX-WOJBJXKFSA-N 0 0 452.595 4.556 20 0 JJADRN O=C(NC[C@@H]1OCCc2ccccc21)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001435117207 1064524712 /nfs/dbraw/zinc/52/47/12/1064524712.db2.gz BZJZTIQMKVQNEP-XZOQPEGZSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)CCSc1ccccc1Br)C1CC1 ZINC001359837935 1064524800 /nfs/dbraw/zinc/52/48/00/1064524800.db2.gz QHJGKBVORIVBJU-HXUWFJFHSA-N 0 0 457.434 4.741 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001359837871 1064524824 /nfs/dbraw/zinc/52/48/24/1064524824.db2.gz OZRIHKITICOFBV-OPAMFIHVSA-N 0 0 453.421 4.890 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC001359838311 1064525212 /nfs/dbraw/zinc/52/52/12/1064525212.db2.gz YLIUHNAQZMINHZ-LHSJRXKWSA-N 0 0 457.040 4.600 20 0 JJADRN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001435118594 1064525188 /nfs/dbraw/zinc/52/51/88/1064525188.db2.gz HLQFZFHDAXAVIL-KRWDZBQOSA-N 0 0 454.246 4.967 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001435118751 1064525272 /nfs/dbraw/zinc/52/52/72/1064525272.db2.gz AMRRJWXAUBLYNR-HHHXNRCGSA-N 0 0 453.579 4.861 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1 ZINC001435117968 1064525334 /nfs/dbraw/zinc/52/53/34/1064525334.db2.gz JZNQBHUPYJCQIJ-UHFFFAOYSA-N 0 0 456.514 4.879 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359838613 1064525667 /nfs/dbraw/zinc/52/56/67/1064525667.db2.gz FIQNUSWBDPKPKA-UNMCSNQZSA-N 0 0 455.647 4.849 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Oc3cccc(C(=O)Nc4ccc(C)cc4)c3)c2)o1 ZINC001359839301 1064525692 /nfs/dbraw/zinc/52/56/92/1064525692.db2.gz ISMVOMVVNBKKDJ-UHFFFAOYSA-N 0 0 457.486 4.705 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001435119585 1064525868 /nfs/dbraw/zinc/52/58/68/1064525868.db2.gz NQBWIHGSPHSENG-NRFANRHFSA-N 0 0 456.995 4.916 20 0 JJADRN C[C@H](CN(C)C(=O)c1cc(Br)ccc1I)c1ccccc1 ZINC001359840288 1064526404 /nfs/dbraw/zinc/52/64/04/1064526404.db2.gz ZJDWFNXPFKUZJY-GFCCVEGCSA-N 0 0 458.137 4.929 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)s2)c1 ZINC001435120522 1064526846 /nfs/dbraw/zinc/52/68/46/1064526846.db2.gz UMTRKZKSECVLFS-QHCPKHFHSA-N 0 0 454.527 4.511 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1Cl)c1ccncc1 ZINC001435120953 1064526861 /nfs/dbraw/zinc/52/68/61/1064526861.db2.gz AYPQPIBXBKXWLX-HNNXBMFYSA-N 0 0 455.301 4.705 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC1(O)CCCCCC1 ZINC001359841048 1064527398 /nfs/dbraw/zinc/52/73/98/1064527398.db2.gz ZHJYHOSPPNNXON-UHFFFAOYSA-N 0 0 488.076 4.568 20 0 JJADRN COC[C@H](NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)c1cccc(C(F)(F)F)c1 ZINC001435121728 1064528145 /nfs/dbraw/zinc/52/81/45/1064528145.db2.gz YBSJPUYYHIEDPQ-KRWDZBQOSA-N 0 0 456.827 4.505 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1Cc1cccc(C(F)F)c1 ZINC001359841230 1064528093 /nfs/dbraw/zinc/52/80/93/1064528093.db2.gz HIAKGFBYFNXGOH-UHFFFAOYSA-N 0 0 458.532 4.713 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2nc(F)ccc2Br)cc1 ZINC001435122873 1064528614 /nfs/dbraw/zinc/52/86/14/1064528614.db2.gz DCFGAVPOQVYTSW-ZWKOTPCHSA-N 0 0 451.336 4.892 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)c(OC(F)F)c1 ZINC001359841903 1064528859 /nfs/dbraw/zinc/52/88/59/1064528859.db2.gz FZUHQHMQMKNSEM-UHFFFAOYSA-N 0 0 459.449 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001435123304 1064529074 /nfs/dbraw/zinc/52/90/74/1064529074.db2.gz SNKDDNGDZWWXOD-ZUEVXXBESA-N 0 0 491.375 4.835 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC(OCCc4ccccc4)CC3)cc2)c1 ZINC001435124108 1064529558 /nfs/dbraw/zinc/52/95/58/1064529558.db2.gz OGPDIAGSQVTJPT-UHFFFAOYSA-N 0 0 456.586 4.789 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(SC(F)F)c1)C2=O ZINC001359842884 1064529705 /nfs/dbraw/zinc/52/97/05/1064529705.db2.gz LWMNUCRFCSMBEL-UHFFFAOYSA-N 0 0 453.555 4.857 20 0 JJADRN Cn1nc(I)cc1C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC001359842445 1064529760 /nfs/dbraw/zinc/52/97/60/1064529760.db2.gz AITKFHFLXJRNNS-UHFFFAOYSA-N 0 0 459.331 4.763 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cnn3c2nc(C)cc3C(F)F)cc1 ZINC001435123399 1064529880 /nfs/dbraw/zinc/52/98/80/1064529880.db2.gz JMHXCEAEIYYZKX-CTNGQTDRSA-N 0 0 458.509 4.884 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccccc1 ZINC001435123764 1064529895 /nfs/dbraw/zinc/52/98/95/1064529895.db2.gz MVTNFXXZGSENPA-XMMPIXPASA-N 0 0 452.595 4.893 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1)C(C)C ZINC001435124180 1064530170 /nfs/dbraw/zinc/53/01/70/1064530170.db2.gz CJOSOBPNYZGYKZ-CQSZACIVSA-N 0 0 451.336 4.751 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)cc1OC ZINC001435124418 1064530298 /nfs/dbraw/zinc/53/02/98/1064530298.db2.gz ZJAZTWSTKDFRGI-IBGZPJMESA-N 0 0 454.567 4.676 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)c(OC(F)F)c1 ZINC001359844615 1064530579 /nfs/dbraw/zinc/53/05/79/1064530579.db2.gz DNAAIKLPZCFGIA-UHFFFAOYSA-N 0 0 450.825 4.780 20 0 JJADRN O=C(CCNC(=O)c1cccs1)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001435124782 1064530635 /nfs/dbraw/zinc/53/06/35/1064530635.db2.gz BRBQWCYVLKNBAF-UHFFFAOYSA-N 0 0 459.365 4.739 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001359844923 1064530752 /nfs/dbraw/zinc/53/07/52/1064530752.db2.gz FCUKMZMQNHXWAG-MSOLQXFVSA-N 0 0 455.744 4.874 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(F)c2ncccc2c1 ZINC001435125443 1064531201 /nfs/dbraw/zinc/53/12/01/1064531201.db2.gz IDPGSPYLMKPMCL-UHFFFAOYSA-N 0 0 456.445 4.878 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)Cc2ccccc2O[C@H]2CCOC2)cc1 ZINC001435125269 1064531231 /nfs/dbraw/zinc/53/12/31/1064531231.db2.gz XLOZJQZNILTWPX-KYPHJKQUSA-N 0 0 453.579 4.692 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)Cc2ccccc2O[C@H]2CCOC2)cc1 ZINC001435125257 1064531407 /nfs/dbraw/zinc/53/14/07/1064531407.db2.gz XLOZJQZNILTWPX-BFLUCZKCSA-N 0 0 453.579 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359846401 1064531996 /nfs/dbraw/zinc/53/19/96/1064531996.db2.gz WZGRWMBBOXHLJC-NRFANRHFSA-N 0 0 481.666 4.668 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359846551 1064532272 /nfs/dbraw/zinc/53/22/72/1064532272.db2.gz BYXVQXFZXATOMO-QGZVFWFLSA-N 0 0 496.027 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001359846559 1064532309 /nfs/dbraw/zinc/53/23/09/1064532309.db2.gz CIDHFTFDYBUHEE-UHFFFAOYSA-N 0 0 473.612 4.617 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cscc1C(F)(F)F ZINC001359846645 1064532328 /nfs/dbraw/zinc/53/23/28/1064532328.db2.gz FVQXOWIQQLWCSL-UHFFFAOYSA-N 0 0 473.565 4.662 20 0 JJADRN COc1ccc(C(C)(C)C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1 ZINC001435126507 1064532408 /nfs/dbraw/zinc/53/24/08/1064532408.db2.gz OQMKWULGWAQBME-UHFFFAOYSA-N 0 0 459.514 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359846927 1064533161 /nfs/dbraw/zinc/53/31/61/1064533161.db2.gz LEDMWZMNQWTNIB-RZUBCFFCSA-N 0 0 477.694 4.764 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Br ZINC001435127830 1064533344 /nfs/dbraw/zinc/53/33/44/1064533344.db2.gz JKWGLIGZTMVFLU-UHFFFAOYSA-N 0 0 454.792 4.761 20 0 JJADRN O=C(NCCCc1ccc(Br)cc1F)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001435127385 1064533615 /nfs/dbraw/zinc/53/36/15/1064533615.db2.gz RMUYVWNSUWBALC-UHFFFAOYSA-N 0 0 452.339 4.816 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C1CCCCC1 ZINC001435128070 1064533916 /nfs/dbraw/zinc/53/39/16/1064533916.db2.gz LWWXHEXDENZKIR-QHCPKHFHSA-N 0 0 453.583 4.864 20 0 JJADRN O=C(NCCCc1ccc(Br)cc1F)c1cc(F)cc(Br)c1F ZINC001435128163 1064534168 /nfs/dbraw/zinc/53/41/68/1064534168.db2.gz ZVCAZCDUARDEGA-UHFFFAOYSA-N 0 0 451.080 4.992 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128622 1064534591 /nfs/dbraw/zinc/53/45/91/1064534591.db2.gz TVABIECOYNSTID-GOSISDBHSA-N 0 0 455.640 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOC1CCCCCC1 ZINC001359849232 1064535261 /nfs/dbraw/zinc/53/52/61/1064535261.db2.gz HBBMDVYWQITFSW-HXUWFJFHSA-N 0 0 463.667 4.662 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001435130814 1064535545 /nfs/dbraw/zinc/53/55/45/1064535545.db2.gz YGEKEZIFDWFUES-OAHLLOKOSA-N 0 0 456.411 4.613 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359849610 1064535931 /nfs/dbraw/zinc/53/59/31/1064535931.db2.gz MFJDDIUDDHHVSQ-SFHVURJKSA-N 0 0 475.062 4.549 20 0 JJADRN CCCCCCn1nc(C(=O)NCCc2ccc(Br)cc2)c2ccccc2c1=O ZINC001435131547 1064536220 /nfs/dbraw/zinc/53/62/20/1064536220.db2.gz RPMGMXOKENQUCC-UHFFFAOYSA-N 0 0 456.384 4.712 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)c2cccc3ccccc32)c1 ZINC001435134056 1064537738 /nfs/dbraw/zinc/53/77/38/1064537738.db2.gz LAZNGWIBLONPQA-XMMPIXPASA-N 0 0 458.558 4.924 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2ccccc2)CCCCCC1 ZINC001359851073 1064537902 /nfs/dbraw/zinc/53/79/02/1064537902.db2.gz BTQPSZUUPHORHX-UHFFFAOYSA-N 0 0 454.636 4.770 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)C ZINC001435135997 1064539435 /nfs/dbraw/zinc/53/94/35/1064539435.db2.gz FSDATXHXLWEYPQ-JOCHJYFZSA-N 0 0 458.505 4.814 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccsc1Br ZINC001359852740 1064540142 /nfs/dbraw/zinc/54/01/42/1064540142.db2.gz SXQZDFGVZYDMOW-UHFFFAOYSA-N 0 0 478.435 4.815 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001359853918 1064541377 /nfs/dbraw/zinc/54/13/77/1064541377.db2.gz PGPVNWILGHXGKZ-WBVHZDCISA-N 0 0 455.409 4.643 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC001359854815 1064541912 /nfs/dbraw/zinc/54/19/12/1064541912.db2.gz SGMHLQIFSVGGFR-UHFFFAOYSA-N 0 0 452.345 4.584 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(C)(C)c2ccc(F)cc2F)CC1 ZINC001435141688 1064541910 /nfs/dbraw/zinc/54/19/10/1064541910.db2.gz CZYUMIHKNJVTJV-OAHLLOKOSA-N 0 0 451.355 4.910 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001435142545 1064542394 /nfs/dbraw/zinc/54/23/94/1064542394.db2.gz JMNYKRBBSXIIOO-FYYLOGMGSA-N 0 0 450.579 4.687 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001435142548 1064542598 /nfs/dbraw/zinc/54/25/98/1064542598.db2.gz JMNYKRBBSXIIOO-GGAORHGYSA-N 0 0 450.579 4.687 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccn(CC(F)(F)F)n1 ZINC001435142741 1064543168 /nfs/dbraw/zinc/54/31/68/1064543168.db2.gz PNODYJMCEKXONU-UHFFFAOYSA-N 0 0 453.804 4.930 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C ZINC001359856089 1064543398 /nfs/dbraw/zinc/54/33/98/1064543398.db2.gz FVJWSPDIWZQROY-FQEVSTJZSA-N 0 0 456.468 4.505 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCCNC(=O)CCc1ccc(C)cc1 ZINC001359856740 1064544189 /nfs/dbraw/zinc/54/41/89/1064544189.db2.gz MFJLPBSAJIBNQB-UHFFFAOYSA-N 0 0 450.604 4.992 20 0 JJADRN COc1cccc(C(F)F)c1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001435144592 1064544610 /nfs/dbraw/zinc/54/46/10/1064544610.db2.gz SFRIQGUIWFLFPE-CQSZACIVSA-N 0 0 453.327 4.914 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3ccc(C(N)=O)c(Cl)n3)cc2C)cc1 ZINC001435144640 1064545349 /nfs/dbraw/zinc/54/53/49/1064545349.db2.gz KGASYTMFJUTVMK-UHFFFAOYSA-N 0 0 451.954 4.610 20 0 JJADRN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001435145311 1064545692 /nfs/dbraw/zinc/54/56/92/1064545692.db2.gz PTZYHYBVROSYOJ-MHZLTWQESA-N 0 0 455.595 4.896 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001359858254 1064545850 /nfs/dbraw/zinc/54/58/50/1064545850.db2.gz LYVZLSHIHLMZGF-NWSQWKLXSA-N 0 0 479.591 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001359858252 1064546054 /nfs/dbraw/zinc/54/60/54/1064546054.db2.gz LYVZLSHIHLMZGF-LSWJPFSZSA-N 0 0 479.591 4.717 20 0 JJADRN Cc1c(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435145579 1064545913 /nfs/dbraw/zinc/54/59/13/1064545913.db2.gz SLYKIVBAIITYNK-UHFFFAOYSA-N 0 0 452.440 4.671 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435145768 1064546500 /nfs/dbraw/zinc/54/65/00/1064546500.db2.gz BFZSMTSUQTWGHX-LLGFUMIMSA-N 0 0 454.617 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001359858919 1064546497 /nfs/dbraw/zinc/54/64/97/1064546497.db2.gz XOPZQEADWYWFMP-LJQANCHMSA-N 0 0 467.580 4.752 20 0 JJADRN CCN(C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001359859240 1064546979 /nfs/dbraw/zinc/54/69/79/1064546979.db2.gz YRTMAFORJBCOBX-RPBOFIJWSA-N 0 0 450.604 4.546 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435146680 1064547043 /nfs/dbraw/zinc/54/70/43/1064547043.db2.gz BGVCOVXYIAOWSF-MRXNPFEDSA-N 0 0 459.281 4.935 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)c2)n1 ZINC001435146456 1064547142 /nfs/dbraw/zinc/54/71/42/1064547142.db2.gz ASVLEJHQHXDMOK-NRFANRHFSA-N 0 0 457.361 4.771 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c2ccccc2)cc1 ZINC001435147199 1064547579 /nfs/dbraw/zinc/54/75/79/1064547579.db2.gz DFSRFYHDRPCODG-RRPNLBNLSA-N 0 0 455.602 4.984 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccnc(NC(=O)C2CC2)c1 ZINC001435147221 1064547594 /nfs/dbraw/zinc/54/75/94/1064547594.db2.gz FLISSPPZEUXCPK-UHFFFAOYSA-N 0 0 456.424 4.566 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@H](c1ccccc1)n1cccn1 ZINC001435147182 1064547700 /nfs/dbraw/zinc/54/77/00/1064547700.db2.gz DZTRNEUVJLDCLX-QFIPXVFZSA-N 0 0 452.436 4.995 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)Nc3nc4nc(C)cc(C(=O)OC)c4s3)cs2)cc1 ZINC001435147485 1064547758 /nfs/dbraw/zinc/54/77/58/1064547758.db2.gz FPRMZUWRXWPCJW-UHFFFAOYSA-N 0 0 452.561 4.653 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001435147927 1064548037 /nfs/dbraw/zinc/54/80/37/1064548037.db2.gz IBQPCJNFGQRYKD-QFIPXVFZSA-N 0 0 452.551 4.578 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(Br)cc1Br)c1ccccc1 ZINC001435147870 1064548218 /nfs/dbraw/zinc/54/82/18/1064548218.db2.gz HIOIIWJOORRIGG-INIZCTEOSA-N 0 0 455.146 4.810 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435149370 1064549407 /nfs/dbraw/zinc/54/94/07/1064549407.db2.gz RQNZZFMHLPQSGT-YJBOKZPZSA-N 0 0 452.904 4.797 20 0 JJADRN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC001435150393 1064549825 /nfs/dbraw/zinc/54/98/25/1064549825.db2.gz QGXSPXVZLOXUSA-LJQANCHMSA-N 0 0 450.579 4.879 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001359860976 1064550274 /nfs/dbraw/zinc/55/02/74/1064550274.db2.gz VGCYZJZIIVFGAC-QNSHHTMESA-N 0 0 456.068 4.674 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC001435150389 1064550509 /nfs/dbraw/zinc/55/05/09/1064550509.db2.gz ULPIWLUGTCSYII-MRXNPFEDSA-N 0 0 455.146 4.810 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001435150677 1064551140 /nfs/dbraw/zinc/55/11/40/1064551140.db2.gz ZSSGQLUQONDASU-LLVKDONJSA-N 0 0 451.919 4.885 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCc1csc(C(C)C)n1 ZINC001359861070 1064551108 /nfs/dbraw/zinc/55/11/08/1064551108.db2.gz LZSJHOWLZIALNP-UHFFFAOYSA-N 0 0 470.662 4.761 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC001435152530 1064551531 /nfs/dbraw/zinc/55/15/31/1064551531.db2.gz JWZHVPRPCWEQFE-UHFFFAOYSA-N 0 0 457.452 4.567 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2ccccc2Cl)C(C)C)cc1 ZINC001435152853 1064551669 /nfs/dbraw/zinc/55/16/69/1064551669.db2.gz PLPDWXIECYSCBR-HSZRJFAPSA-N 0 0 451.032 4.817 20 0 JJADRN COc1ccc(COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)c(OC(F)F)c1 ZINC001435153702 1064552009 /nfs/dbraw/zinc/55/20/09/1064552009.db2.gz WWUMDZJIPHKBBG-LJQANCHMSA-N 0 0 451.466 4.681 20 0 JJADRN Cc1nnnn1-c1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)c(F)c1 ZINC001435154142 1064552222 /nfs/dbraw/zinc/55/22/22/1064552222.db2.gz NWNLCXIPRHLTEV-NRFANRHFSA-N 0 0 457.843 4.561 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N(Cc3ccc(F)cc3)CC(F)(F)F)c(=O)oc2c1 ZINC001435156222 1064553147 /nfs/dbraw/zinc/55/31/47/1064553147.db2.gz CYGFYVWRJIEMBW-UHFFFAOYSA-N 0 0 450.432 4.983 20 0 JJADRN O=C(c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001435156640 1064553643 /nfs/dbraw/zinc/55/36/43/1064553643.db2.gz DNKCQMDZDSILAM-UHFFFAOYSA-N 0 0 453.386 4.983 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001435158208 1064554659 /nfs/dbraw/zinc/55/46/59/1064554659.db2.gz CCMMGQPFEUREEX-UHFFFAOYSA-N 0 0 459.470 4.553 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001435158002 1064554714 /nfs/dbraw/zinc/55/47/14/1064554714.db2.gz YJPWHJHMGHMIAS-DPQOWFAMSA-N 0 0 454.998 4.861 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001435158019 1064554767 /nfs/dbraw/zinc/55/47/67/1064554767.db2.gz YJPWHJHMGHMIAS-FMNCTDSISA-N 0 0 454.998 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001359865056 1064554854 /nfs/dbraw/zinc/55/48/54/1064554854.db2.gz AYIGANUMPCARQC-NIJIEXERSA-N 0 0 467.441 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)C1 ZINC001435160051 1064555709 /nfs/dbraw/zinc/55/57/09/1064555709.db2.gz GOURHDCKPORCPG-INZIPBBXSA-N 0 0 458.571 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001359865776 1064555951 /nfs/dbraw/zinc/55/59/51/1064555951.db2.gz IWQDHIJWRHFZSQ-MRXNPFEDSA-N 0 0 484.066 4.684 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001435160055 1064556191 /nfs/dbraw/zinc/55/61/91/1064556191.db2.gz QLKTYYDDOUUKKJ-UHFFFAOYSA-N 0 0 457.573 4.652 20 0 JJADRN O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001435160961 1064556739 /nfs/dbraw/zinc/55/67/39/1064556739.db2.gz WRWAYHKRXWNDEG-UHFFFAOYSA-N 0 0 450.343 4.985 20 0 JJADRN Cc1cc(C)n2ccc(C(=O)Nc3cc(Cl)c(NC(=O)c4cnccn4)c(Cl)c3)c2n1 ZINC001435161093 1064556781 /nfs/dbraw/zinc/55/67/81/1064556781.db2.gz APEVWDNDEXQCQZ-UHFFFAOYSA-N 0 0 455.305 4.553 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435161854 1064557308 /nfs/dbraw/zinc/55/73/08/1064557308.db2.gz GYOHSAQPCHIDEQ-FZKQIMNGSA-N 0 0 451.354 4.960 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359866428 1064557495 /nfs/dbraw/zinc/55/74/95/1064557495.db2.gz REQKWPLDHVCJAF-XMMPIXPASA-N 0 0 479.591 4.503 20 0 JJADRN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435161944 1064557791 /nfs/dbraw/zinc/55/77/91/1064557791.db2.gz PJJAQJSXKQDNDP-SOLBZPMBSA-N 0 0 453.396 4.773 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359866532 1064558086 /nfs/dbraw/zinc/55/80/86/1064558086.db2.gz TWWAWSWMWRJHKY-RBISFHTESA-N 0 0 497.684 4.876 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359866530 1064558162 /nfs/dbraw/zinc/55/81/62/1064558162.db2.gz TWWAWSWMWRJHKY-DFHRPNOPSA-N 0 0 497.684 4.876 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359866659 1064558651 /nfs/dbraw/zinc/55/86/51/1064558651.db2.gz WQCYRJZXWIVLGW-DWACAAAGSA-N 0 0 497.684 4.876 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001359867043 1064559057 /nfs/dbraw/zinc/55/90/57/1064559057.db2.gz IVYLILQAWWJSOJ-GFCCVEGCSA-N 0 0 459.732 4.538 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC001435162658 1064559113 /nfs/dbraw/zinc/55/91/13/1064559113.db2.gz OILAFPWWNVCNGK-UHFFFAOYSA-N 0 0 458.493 4.716 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2ncc(Br)cc2Br)[C@H]1c1ccccc1 ZINC001435163751 1064559389 /nfs/dbraw/zinc/55/93/89/1064559389.db2.gz KRAHWIDRVKLZFE-MEDUHNTESA-N 0 0 456.203 4.925 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[C@@H](C)c1ccccc1 ZINC001359868122 1064559586 /nfs/dbraw/zinc/55/95/86/1064559586.db2.gz HYDNCLXCISOLBJ-CTNGQTDRSA-N 0 0 452.603 4.755 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[C@H](C)c1ccccc1 ZINC001359868125 1064559642 /nfs/dbraw/zinc/55/96/42/1064559642.db2.gz HYDNCLXCISOLBJ-PZJWPPBQSA-N 0 0 452.603 4.755 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001359867728 1064559678 /nfs/dbraw/zinc/55/96/78/1064559678.db2.gz ZIIUESRPHMEGMJ-UHFFFAOYSA-N 0 0 452.913 4.510 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359868022 1064559716 /nfs/dbraw/zinc/55/97/16/1064559716.db2.gz HDDATHDVIBGQBZ-NRFANRHFSA-N 0 0 477.506 4.850 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[C@H](C)c1ccccc1 ZINC001359868124 1064559730 /nfs/dbraw/zinc/55/97/30/1064559730.db2.gz HYDNCLXCISOLBJ-FPOVZHCZSA-N 0 0 452.603 4.755 20 0 JJADRN COc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1I ZINC001435164094 1064559879 /nfs/dbraw/zinc/55/98/79/1064559879.db2.gz MCDURMBCZHOMNX-SCLBCKFNSA-N 0 0 453.345 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1CCOCC(F)(F)C(F)F ZINC001359868323 1064560221 /nfs/dbraw/zinc/56/02/21/1064560221.db2.gz JOVXYXIYITWWPY-QGZVFWFLSA-N 0 0 478.918 4.625 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cc(Br)ncc2Br)[C@H]1c1ccccc1 ZINC001435164592 1064560533 /nfs/dbraw/zinc/56/05/33/1064560533.db2.gz SIPRYOBOBAPIPC-BDJLRTHQSA-N 0 0 456.203 4.925 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cc(Br)ncc2Br)[C@@H]1c1ccccc1 ZINC001435164593 1064560600 /nfs/dbraw/zinc/56/06/00/1064560600.db2.gz SIPRYOBOBAPIPC-BZNIZROVSA-N 0 0 456.203 4.925 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)C(F)(F)c2cccc(Br)c2)C2CC2)nc1C ZINC001359868634 1064560691 /nfs/dbraw/zinc/56/06/91/1064560691.db2.gz QXFYMRODCGZFKH-UHFFFAOYSA-N 0 0 459.312 4.678 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001359868942 1064561042 /nfs/dbraw/zinc/56/10/42/1064561042.db2.gz PNCKQTUVYZZCHY-KNKQGSTJSA-N 0 0 478.584 4.861 20 0 JJADRN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NCCCNC(=O)c3cccc(F)c3)cc2)n1 ZINC001435165461 1064561114 /nfs/dbraw/zinc/56/11/14/1064561114.db2.gz LFMBVPXNOFLLDE-UHFFFAOYSA-N 0 0 456.521 4.537 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001435165264 1064561177 /nfs/dbraw/zinc/56/11/77/1064561177.db2.gz XUNADKMGDYKFJU-LJQANCHMSA-N 0 0 454.979 4.779 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359869311 1064561792 /nfs/dbraw/zinc/56/17/92/1064561792.db2.gz VXCYHNSGQNSQOK-RXVVDRJESA-N 0 0 492.064 4.869 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1F ZINC001435166703 1064562015 /nfs/dbraw/zinc/56/20/15/1064562015.db2.gz JZAAWKKNRYBQTP-JGCGQSQUSA-N 0 0 451.498 4.736 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435167087 1064562507 /nfs/dbraw/zinc/56/25/07/1064562507.db2.gz LQRMQUTYGVGSQK-IBGZPJMESA-N 0 0 457.317 4.819 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1 ZINC001435166820 1064562701 /nfs/dbraw/zinc/56/27/01/1064562701.db2.gz SMAYNVAPYZAVRJ-KAMYIIQDSA-N 0 0 457.395 4.859 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(CCCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359870310 1064562706 /nfs/dbraw/zinc/56/27/06/1064562706.db2.gz ODNVGNYBFURMLK-UHFFFAOYSA-N 0 0 452.521 4.615 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(CCCCC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359871410 1064562732 /nfs/dbraw/zinc/56/27/32/1064562732.db2.gz XZDLDKWBCGKHMA-UHFFFAOYSA-N 0 0 454.663 4.736 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3O[C@H](C)c3ccccc3)C2=O)c1 ZINC001435168028 1064563603 /nfs/dbraw/zinc/56/36/03/1064563603.db2.gz IQGNUVUIHHAABM-AUSIDOKSSA-N 0 0 457.530 4.979 20 0 JJADRN CC(C)Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC[S@](=O)C(C)(C)C ZINC001359873123 1064563737 /nfs/dbraw/zinc/56/37/37/1064563737.db2.gz JQDDYWJUXOIRJD-HKBQPEDESA-N 0 0 459.685 4.617 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1 ZINC001435168621 1064564137 /nfs/dbraw/zinc/56/41/37/1064564137.db2.gz KIRCTGYWSUNDDT-UHFFFAOYSA-N 0 0 457.271 4.937 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ncoc1CCC(F)(F)F ZINC001435169716 1064564715 /nfs/dbraw/zinc/56/47/15/1064564715.db2.gz GGOXRAYWXGOCBB-UHFFFAOYSA-N 0 0 452.454 4.537 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1 ZINC001359875518 1064565409 /nfs/dbraw/zinc/56/54/09/1064565409.db2.gz KWZUQBPGXDTSGY-LEWJYISDSA-N 0 0 474.049 4.918 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC001435171520 1064566216 /nfs/dbraw/zinc/56/62/16/1064566216.db2.gz ULJCAGLPIBGLRL-UHFFFAOYSA-N 0 0 455.502 4.877 20 0 JJADRN CCOc1ccc(N(C(=O)/C=C\c2cncc(F)c2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359876147 1064566617 /nfs/dbraw/zinc/56/66/17/1064566617.db2.gz WLQLWDKQBHFEPN-BAQGIRSFSA-N 0 0 451.464 4.693 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c(-c2cc(F)ccc2F)n1 ZINC001435172555 1064566862 /nfs/dbraw/zinc/56/68/62/1064566862.db2.gz XKYUNADFJBJOID-JGCGQSQUSA-N 0 0 451.498 4.925 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC001435172404 1064566900 /nfs/dbraw/zinc/56/69/00/1064566900.db2.gz WXCLMLGLGWVHRJ-GDLZYMKVSA-N 0 0 450.391 4.986 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359877133 1064567306 /nfs/dbraw/zinc/56/73/06/1064567306.db2.gz MTIBBVSVBJHNIH-OALUTQOASA-N 0 0 463.964 4.953 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 ZINC001435173203 1064567279 /nfs/dbraw/zinc/56/72/79/1064567279.db2.gz ZSNLZHPYJSRCLL-UHFFFAOYSA-N 0 0 450.383 4.978 20 0 JJADRN O=C(CCc1nc2ccccc2s1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001435172899 1064567295 /nfs/dbraw/zinc/56/72/95/1064567295.db2.gz POQHDQYVYNSPAO-UHFFFAOYSA-N 0 0 450.585 4.983 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)CC1=O ZINC001435173512 1064567429 /nfs/dbraw/zinc/56/74/29/1064567429.db2.gz GPMKJUXRJAXFEF-LJQANCHMSA-N 0 0 450.535 4.563 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359877506 1064567702 /nfs/dbraw/zinc/56/77/02/1064567702.db2.gz SQVFEYJEPSEEJR-MRXNPFEDSA-N 0 0 456.419 4.944 20 0 JJADRN CCCn1nc(C)c(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1C ZINC001435173846 1064567797 /nfs/dbraw/zinc/56/77/97/1064567797.db2.gz SSFSYYODUQACBB-UHFFFAOYSA-N 0 0 450.558 4.590 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)C1 ZINC001359877866 1064568201 /nfs/dbraw/zinc/56/82/01/1064568201.db2.gz DWOOYOYBTCAISP-BKMJKUGQSA-N 0 0 458.622 4.963 20 0 JJADRN Cc1c(Br)cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(=O)n1C ZINC001435174062 1064568394 /nfs/dbraw/zinc/56/83/94/1064568394.db2.gz CSWBFFRYYBYXPN-UHFFFAOYSA-N 0 0 456.271 4.656 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)s2)o1 ZINC001435175197 1064568915 /nfs/dbraw/zinc/56/89/15/1064568915.db2.gz ZXMMDMMFAREDSG-AWEZNQCLSA-N 0 0 451.470 4.927 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001435175975 1064569430 /nfs/dbraw/zinc/56/94/30/1064569430.db2.gz ZXOSTNVBRLIJJC-UHFFFAOYSA-N 0 0 454.495 4.934 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)[C@H](OC)C(=O)OC(C)(C)C ZINC001435176145 1064569513 /nfs/dbraw/zinc/56/95/13/1064569513.db2.gz GSGROIVVLAPSKZ-DEOSSOPVSA-N 0 0 455.595 4.896 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2csc(S(C)(=O)=O)c2)cc1C ZINC001435176604 1064569887 /nfs/dbraw/zinc/56/98/87/1064569887.db2.gz NAJNYUMOUOPFMX-UHFFFAOYSA-N 0 0 457.617 4.928 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)nnn1Cc1ccc(F)cc1 ZINC001435177204 1064569941 /nfs/dbraw/zinc/56/99/41/1064569941.db2.gz FDUWVGVNUZLQRT-UHFFFAOYSA-N 0 0 456.827 4.875 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001435176679 1064570123 /nfs/dbraw/zinc/57/01/23/1064570123.db2.gz WMXKTQXAKDIJFT-IRXDYDNUSA-N 0 0 452.526 4.979 20 0 JJADRN CCOc1cc(CNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)ccc1OC ZINC001435176626 1064570137 /nfs/dbraw/zinc/57/01/37/1064570137.db2.gz OBSWXSGSSGROQP-UHFFFAOYSA-N 0 0 451.306 4.898 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@](C)=O)CCC2)C1 ZINC001359878555 1064570192 /nfs/dbraw/zinc/57/01/92/1064570192.db2.gz JNMSOHBREMCYIC-JWRCQZCYSA-N 0 0 479.488 4.881 20 0 JJADRN O=C(NCCCNC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc(F)cc1 ZINC001435177662 1064570423 /nfs/dbraw/zinc/57/04/23/1064570423.db2.gz ITBUCVFNAXKUQQ-JOCHJYFZSA-N 0 0 458.892 4.675 20 0 JJADRN COc1ccc(C2(CNC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)CCCCC2)cc1OC ZINC001435177506 1064570660 /nfs/dbraw/zinc/57/06/60/1064570660.db2.gz DREWGSMEOTXBSC-SDVLMSEASA-N 0 0 459.627 4.776 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001435178711 1064570886 /nfs/dbraw/zinc/57/08/86/1064570886.db2.gz IBWZRUWWTQLXPL-UHFFFAOYSA-N 0 0 450.564 4.890 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001359879232 1064571420 /nfs/dbraw/zinc/57/14/20/1064571420.db2.gz RKHXGFFTLGJWKY-MOPGFXCFSA-N 0 0 459.610 4.734 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001435179519 1064571577 /nfs/dbraw/zinc/57/15/77/1064571577.db2.gz ZVEFXZODTZKGGO-UHFFFAOYSA-N 0 0 456.269 4.737 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cn(-c4cccc(Cl)c4)nn3)CCCCC2)cc1OC ZINC001435178982 1064571595 /nfs/dbraw/zinc/57/15/95/1064571595.db2.gz RYXFUGBBNHYEGT-UHFFFAOYSA-N 0 0 454.958 4.570 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359879390 1064572379 /nfs/dbraw/zinc/57/23/79/1064572379.db2.gz VEXXJEBFSXYYEI-HNNXBMFYSA-N 0 0 491.400 4.792 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(=O)N(C)C)C1 ZINC001359879449 1064572779 /nfs/dbraw/zinc/57/27/79/1064572779.db2.gz WBXBLJHEWVRGNC-OAHLLOKOSA-N 0 0 468.465 4.510 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2=CCCOC2)C1 ZINC001359879631 1064572882 /nfs/dbraw/zinc/57/28/82/1064572882.db2.gz ZGYMGHWZRIOPCT-OAHLLOKOSA-N 0 0 451.434 4.988 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(=O)OCc1ccccc1 ZINC001435182075 1064573078 /nfs/dbraw/zinc/57/30/78/1064573078.db2.gz BSPJHBBBRDZTHU-VWLOTQADSA-N 0 0 458.558 4.851 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001435181692 1064573240 /nfs/dbraw/zinc/57/32/40/1064573240.db2.gz UMAMDJWVMVBXSX-NRFANRHFSA-N 0 0 459.606 4.646 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC001435184016 1064573941 /nfs/dbraw/zinc/57/39/41/1064573941.db2.gz JOAIOOPLFZOVKY-LBPRGKRZSA-N 0 0 456.369 4.723 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001359880853 1064574567 /nfs/dbraw/zinc/57/45/67/1064574567.db2.gz KHAJVMLHEXGLDR-LJQANCHMSA-N 0 0 458.672 4.692 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359881446 1064574879 /nfs/dbraw/zinc/57/48/79/1064574879.db2.gz POYBZQNKEKQYMR-PMACEKPBSA-N 0 0 499.656 4.844 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359881442 1064574908 /nfs/dbraw/zinc/57/49/08/1064574908.db2.gz PKUBDEKFHWGHGP-IFMALSPDSA-N 0 0 485.677 4.731 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001359881443 1064574992 /nfs/dbraw/zinc/57/49/92/1064574992.db2.gz PKUBDEKFHWGHGP-RBBKRZOGSA-N 0 0 485.677 4.731 20 0 JJADRN CCOC[C@H]1CCCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)C1 ZINC001435185898 1064575155 /nfs/dbraw/zinc/57/51/55/1064575155.db2.gz PCOZNQVISWXNEH-SFHVURJKSA-N 0 0 459.384 4.519 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC001359881844 1064575741 /nfs/dbraw/zinc/57/57/41/1064575741.db2.gz YXKQIQLYFAOCPX-JOCHJYFZSA-N 0 0 458.624 4.729 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001359881826 1064576179 /nfs/dbraw/zinc/57/61/79/1064576179.db2.gz SVRAYPLSPKZQKD-GOSISDBHSA-N 0 0 462.520 4.540 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001435186789 1064576178 /nfs/dbraw/zinc/57/61/78/1064576178.db2.gz ZZNZGLYWPHHEPE-QGZVFWFLSA-N 0 0 454.567 4.814 20 0 JJADRN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1-c1ccccc1F ZINC001435186983 1064576239 /nfs/dbraw/zinc/57/62/39/1064576239.db2.gz UHAWOUANCMZDOC-UHFFFAOYSA-N 0 0 458.896 4.603 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001435186788 1064576304 /nfs/dbraw/zinc/57/63/04/1064576304.db2.gz ZZNZGLYWPHHEPE-KRWDZBQOSA-N 0 0 454.567 4.814 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359882180 1064576348 /nfs/dbraw/zinc/57/63/48/1064576348.db2.gz YUDHXQLNBLROSC-KRWDZBQOSA-N 0 0 463.026 4.781 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCCCCC2)C1 ZINC001359882519 1064576613 /nfs/dbraw/zinc/57/66/13/1064576613.db2.gz BVPCGPRHKUZUAD-OAQYLSRUSA-N 0 0 455.622 4.673 20 0 JJADRN CC(C)c1nc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)nn1-c1cccc(F)c1 ZINC001359883130 1064577083 /nfs/dbraw/zinc/57/70/83/1064577083.db2.gz GPXRKHQLBMJMQA-UHFFFAOYSA-N 0 0 456.949 4.661 20 0 JJADRN O=C(CCc1cccc(Br)c1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001435187793 1064577161 /nfs/dbraw/zinc/57/71/61/1064577161.db2.gz ZSIBCTWZNFNWFG-UHFFFAOYSA-N 0 0 450.336 4.618 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359883608 1064577754 /nfs/dbraw/zinc/57/77/54/1064577754.db2.gz JJNFXPAQDRQABY-XXBNENTESA-N 0 0 468.596 4.717 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC001435188391 1064577912 /nfs/dbraw/zinc/57/79/12/1064577912.db2.gz IAYNRKMBZZSTER-QRWLVFNGSA-N 0 0 450.398 4.517 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001435188863 1064578484 /nfs/dbraw/zinc/57/84/84/1064578484.db2.gz BZWIFUZZYQFGBD-INIZCTEOSA-N 0 0 452.190 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001435190139 1064579634 /nfs/dbraw/zinc/57/96/34/1064579634.db2.gz GHVGPBDUCXLWOC-QXCFHYIPSA-N 0 0 456.505 4.888 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCO2)C1 ZINC001359885107 1064579644 /nfs/dbraw/zinc/57/96/44/1064579644.db2.gz VOZJLCKUABIHJE-RBBKRZOGSA-N 0 0 473.662 4.610 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)nn1-c1ccc(Cl)cc1 ZINC001435190725 1064580418 /nfs/dbraw/zinc/58/04/18/1064580418.db2.gz LYAMDJAGHMCHLO-INIZCTEOSA-N 0 0 459.775 4.605 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)C1 ZINC001359885499 1064580434 /nfs/dbraw/zinc/58/04/34/1064580434.db2.gz BWWHAKVTLNGFEC-INIZCTEOSA-N 0 0 460.504 4.645 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@@H](c4ccccc4C)OC[C@H]3C)CCCC2)c1 ZINC001435192074 1064580913 /nfs/dbraw/zinc/58/09/13/1064580913.db2.gz PUQMWQVXVFWBBK-GGAORHGYSA-N 0 0 455.620 4.687 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359886421 1064581911 /nfs/dbraw/zinc/58/19/11/1064581911.db2.gz LUOPOKHBONCMPE-HSZRJFAPSA-N 0 0 451.659 4.584 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359886555 1064582388 /nfs/dbraw/zinc/58/23/88/1064582388.db2.gz NIVBJDCORQJHIB-GOSISDBHSA-N 0 0 483.078 4.596 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001359886550 1064582432 /nfs/dbraw/zinc/58/24/32/1064582432.db2.gz NCAHUUCLJMTMJE-NLFFAJNJSA-N 0 0 454.018 4.697 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001435193882 1064582532 /nfs/dbraw/zinc/58/25/32/1064582532.db2.gz VNFMZFSXQJTIEP-RTBURBONSA-N 0 0 455.555 4.654 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001435193875 1064582668 /nfs/dbraw/zinc/58/26/68/1064582668.db2.gz VNFMZFSXQJTIEP-OALUTQOASA-N 0 0 455.555 4.654 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cnc(Cc2ccccc2F)s1)C1CC1 ZINC001359886657 1064583056 /nfs/dbraw/zinc/58/30/56/1064583056.db2.gz HEPZULXXDHAFTL-OAQYLSRUSA-N 0 0 452.551 4.652 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C1CC1 ZINC001359887382 1064583366 /nfs/dbraw/zinc/58/33/66/1064583366.db2.gz NDYLQUQSVRVKAC-JOCHJYFZSA-N 0 0 456.970 4.714 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@](C)(O)C(C)C)C1 ZINC001359887254 1064583430 /nfs/dbraw/zinc/58/34/30/1064583430.db2.gz UHOLSGKWEZJDJT-MBSDFSHPSA-N 0 0 479.463 4.899 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C1CC1 ZINC001359887341 1064583558 /nfs/dbraw/zinc/58/35/58/1064583558.db2.gz MHGHDGJPEDZWJC-HSZRJFAPSA-N 0 0 451.954 4.520 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@](C)(O)C(C)C)C1 ZINC001359887253 1064583659 /nfs/dbraw/zinc/58/36/59/1064583659.db2.gz UHOLSGKWEZJDJT-JPYJTQIMSA-N 0 0 479.463 4.899 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001435195261 1064583866 /nfs/dbraw/zinc/58/38/66/1064583866.db2.gz PFQBSEXBLUBYFL-GYNNGBBESA-N 0 0 457.983 4.789 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359887455 1064583935 /nfs/dbraw/zinc/58/39/35/1064583935.db2.gz VXLHFIPRGDJETK-MOPGFXCFSA-N 0 0 483.554 4.753 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)C1 ZINC001359887454 1064583995 /nfs/dbraw/zinc/58/39/95/1064583995.db2.gz VVRKAUSZURKQCS-ZBLYBZFDSA-N 0 0 470.658 4.833 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc12 ZINC001435196268 1064584292 /nfs/dbraw/zinc/58/42/92/1064584292.db2.gz RARSHQLHBFMSPD-KRWDZBQOSA-N 0 0 458.559 4.664 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001359888321 1064585006 /nfs/dbraw/zinc/58/50/06/1064585006.db2.gz AQANSHPWFSVRDA-MRJKTFCFSA-N 0 0 481.685 4.677 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001359888320 1064585027 /nfs/dbraw/zinc/58/50/27/1064585027.db2.gz AQANSHPWFSVRDA-LXWOLXCRSA-N 0 0 481.685 4.677 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359888567 1064585778 /nfs/dbraw/zinc/58/57/78/1064585778.db2.gz FQAOQAWEKKLJRO-UWJYYQICSA-N 0 0 456.557 4.646 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001359888645 1064585861 /nfs/dbraw/zinc/58/58/61/1064585861.db2.gz HLPXFNIUCHTEAH-RRQZXNHTSA-N 0 0 468.671 4.853 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC001435197875 1064585917 /nfs/dbraw/zinc/58/59/17/1064585917.db2.gz DGHTYARLVXJXMM-FQEVSTJZSA-N 0 0 453.560 4.577 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCSC1 ZINC001359888593 1064585969 /nfs/dbraw/zinc/58/59/69/1064585969.db2.gz GIWQVYRNYPDHJV-JTSKRJEESA-N 0 0 454.587 4.675 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCSC1 ZINC001359888592 1064586155 /nfs/dbraw/zinc/58/61/55/1064586155.db2.gz GIWQVYRNYPDHJV-HTAPYJJXSA-N 0 0 454.587 4.675 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001359888654 1064586552 /nfs/dbraw/zinc/58/65/52/1064586552.db2.gz HQEHVURRBVYKJQ-XMMPIXPASA-N 0 0 488.995 4.542 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001359888839 1064586576 /nfs/dbraw/zinc/58/65/76/1064586576.db2.gz JAMUFEWUHVQQHU-HXOBKFHXSA-N 0 0 479.463 4.899 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc2cc(C)cc(Br)c2o1)c1noc(C)n1 ZINC001435199559 1064586702 /nfs/dbraw/zinc/58/67/02/1064586702.db2.gz OUVJTDLLUKUBDD-GOSISDBHSA-N 0 0 456.296 4.723 20 0 JJADRN CC(C)c1noc2ncc(C(=O)Nc3ccc(CCn4cc(Br)cn4)cc3)cc21 ZINC001435199494 1064586858 /nfs/dbraw/zinc/58/68/58/1064586858.db2.gz RMJOGZHFBPTQRN-UHFFFAOYSA-N 0 0 454.328 4.800 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cccs1 ZINC001359889086 1064586785 /nfs/dbraw/zinc/58/67/85/1064586785.db2.gz LBUZSPQHGTWVMI-JOCHJYFZSA-N 0 0 494.503 4.974 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001359889103 1064587004 /nfs/dbraw/zinc/58/70/04/1064587004.db2.gz HJLFNAZUQXTWME-IEBWSBKVSA-N 0 0 450.323 4.695 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(OCC(F)(F)F)o1 ZINC001435199500 1064586918 /nfs/dbraw/zinc/58/69/18/1064586918.db2.gz RSXXLLJDCFVAQP-UHFFFAOYSA-N 0 0 458.234 4.675 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1=O ZINC001435200384 1064587860 /nfs/dbraw/zinc/58/78/60/1064587860.db2.gz YCVHOILJXFTMMD-WBVHZDCISA-N 0 0 452.942 4.573 20 0 JJADRN CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001359889635 1064587814 /nfs/dbraw/zinc/58/78/14/1064587814.db2.gz NDNWXOKFGFMVFN-YDIMBITNSA-N 0 0 450.579 4.671 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001359889634 1064588044 /nfs/dbraw/zinc/58/80/44/1064588044.db2.gz NDNWXOKFGFMVFN-JXQFQVJHSA-N 0 0 450.579 4.671 20 0 JJADRN Cn1cc(-c2csc(NC(=O)CCc3cc(C(F)(F)F)ccc3Br)n2)cn1 ZINC001435201229 1064588220 /nfs/dbraw/zinc/58/82/20/1064588220.db2.gz ODNCGNMXVUBERI-UHFFFAOYSA-N 0 0 459.291 4.896 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cc1 ZINC001435200698 1064588236 /nfs/dbraw/zinc/58/82/36/1064588236.db2.gz UZKIGDHBNQGFIK-UHFFFAOYSA-N 0 0 451.529 4.653 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001359889946 1064588360 /nfs/dbraw/zinc/58/83/60/1064588360.db2.gz GMVCLBHDKAXHJU-RUZDIDTESA-N 0 0 469.033 4.507 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001359890071 1064588832 /nfs/dbraw/zinc/58/88/32/1064588832.db2.gz RHYIWLYKVXEMBE-XMMPIXPASA-N 0 0 473.980 4.588 20 0 JJADRN COc1cccc(C(F)(F)C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c1 ZINC001435202347 1064589236 /nfs/dbraw/zinc/58/92/36/1064589236.db2.gz XYCKPYZQBJXPFT-UHFFFAOYSA-N 0 0 455.177 4.524 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001359890401 1064589234 /nfs/dbraw/zinc/58/92/34/1064589234.db2.gz JOZVHSJLAHDMAB-DCFHFQCYSA-N 0 0 492.624 4.681 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC[C@@H]1C ZINC001359890350 1064589808 /nfs/dbraw/zinc/58/98/08/1064589808.db2.gz SUKAKCZVWWBIAA-BSRJHKFKSA-N 0 0 450.624 4.686 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001359890326 1064589873 /nfs/dbraw/zinc/58/98/73/1064589873.db2.gz SGDRQRRCNUIIOA-NBGIEHNGSA-N 0 0 474.621 4.751 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 ZINC001435204298 1064590108 /nfs/dbraw/zinc/59/01/08/1064590108.db2.gz NOAUFJDPFNRDOL-OAQYLSRUSA-N 0 0 451.889 4.911 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)C1 ZINC001359891109 1064591111 /nfs/dbraw/zinc/59/11/11/1064591111.db2.gz YBZOMBXQDUGPIN-VFNWGFHPSA-N 0 0 485.467 4.976 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001435205519 1064591194 /nfs/dbraw/zinc/59/11/94/1064591194.db2.gz FZFUZGXVSQKBBS-AUMHUTNHSA-N 0 0 456.486 4.647 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001359891331 1064591606 /nfs/dbraw/zinc/59/16/06/1064591606.db2.gz QCQYPOCQLUIRRO-VGSWGCGISA-N 0 0 468.520 4.640 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359891368 1064591783 /nfs/dbraw/zinc/59/17/83/1064591783.db2.gz ZPGJYQYQLAXIEN-HFZDXXHNSA-N 0 0 490.092 4.917 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)COc3c(C)nn(C)c3C)cc21 ZINC001435207050 1064591912 /nfs/dbraw/zinc/59/19/12/1064591912.db2.gz MJKGDPSDPMGWLY-UHFFFAOYSA-N 0 0 453.539 4.576 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359891370 1064592074 /nfs/dbraw/zinc/59/20/74/1064592074.db2.gz ZPGJYQYQLAXIEN-QFQXNSOFSA-N 0 0 490.092 4.917 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001359891446 1064592178 /nfs/dbraw/zinc/59/21/78/1064592178.db2.gz RHZZLYFEBKIEGS-UUOWRZLLSA-N 0 0 457.022 4.513 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001359891359 1064592238 /nfs/dbraw/zinc/59/22/38/1064592238.db2.gz QFVGOFMCWPCSKA-DYESRHJHSA-N 0 0 489.970 4.728 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)c1C ZINC001435207980 1064592723 /nfs/dbraw/zinc/59/27/23/1064592723.db2.gz XSXLYCATFIVYQA-OAHLLOKOSA-N 0 0 453.340 4.706 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001359891747 1064593039 /nfs/dbraw/zinc/59/30/39/1064593039.db2.gz WSASSGUEHQKSAK-KBMIEXCESA-N 0 0 486.661 4.611 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359891701 1064593177 /nfs/dbraw/zinc/59/31/77/1064593177.db2.gz WGAIUHFTFQEKBA-KDYSTLNUSA-N 0 0 469.674 4.509 20 0 JJADRN CCN(C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001359892579 1064593836 /nfs/dbraw/zinc/59/38/36/1064593836.db2.gz PKIALYZMNIIURP-PGRDOPGGSA-N 0 0 451.567 4.540 20 0 JJADRN Cc1cc(NC(=O)COc2ccc(Cl)cc2Br)ccc1OC1CCOCC1 ZINC001435211846 1064594052 /nfs/dbraw/zinc/59/40/52/1064594052.db2.gz GLLQPCGXWJUEPS-UHFFFAOYSA-N 0 0 454.748 4.986 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001359893154 1064594188 /nfs/dbraw/zinc/59/41/88/1064594188.db2.gz VHUINELQOOTXOD-LJQANCHMSA-N 0 0 458.345 4.670 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001359893003 1064594344 /nfs/dbraw/zinc/59/43/44/1064594344.db2.gz CQNBZFRXPPNESS-DVBNTOJCSA-N 0 0 489.705 4.959 20 0 JJADRN 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NAYIVSILZVFALV-UHFFFAOYSA-N 0 0 458.486 4.759 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001435220453 1064600716 /nfs/dbraw/zinc/60/07/16/1064600716.db2.gz GTEYUVUJXAKKNI-CYBMUJFWSA-N 0 0 459.395 4.773 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 ZINC001359897555 1064600764 /nfs/dbraw/zinc/60/07/64/1064600764.db2.gz ZKCBSOQLYUIQHU-CAXKATBWSA-N 0 0 456.631 4.993 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)C2)cc1 ZINC001435220914 1064601480 /nfs/dbraw/zinc/60/14/80/1064601480.db2.gz UQAPZMBWCGZNAE-SVBPBHIXSA-N 0 0 456.586 4.922 20 0 JJADRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cccc1S(=O)(=O)NC1CC1 ZINC001435221887 1064602187 /nfs/dbraw/zinc/60/21/87/1064602187.db2.gz RRFJWQQLDOVTRL-WYMLVPIESA-N 0 0 456.564 4.955 20 0 JJADRN CC(C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001359898492 1064602266 /nfs/dbraw/zinc/60/22/66/1064602266.db2.gz DQCGAIVSYUMOPF-RNHFSVANSA-N 0 0 460.594 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CCc1ccc([C@@H]2CCCCCN2C(=O)COc2cccc(I)c2)o1 ZINC001435222902 1064603966 /nfs/dbraw/zinc/60/39/66/1064603966.db2.gz HCLPOFDMIKQACE-SFHVURJKSA-N 0 0 453.320 4.969 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001435224877 1064605399 /nfs/dbraw/zinc/60/53/99/1064605399.db2.gz BRUGZGVWFYWBRT-KRWDZBQOSA-N 0 0 451.350 4.631 20 0 JJADRN Cc1c(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)cccc1S(=O)(=O)NC1CC1 ZINC001435224082 1064605435 /nfs/dbraw/zinc/60/54/35/1064605435.db2.gz YEXZOHSJRCUPKJ-UHFFFAOYSA-N 0 0 458.486 4.759 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3ccccc3OCC3CC3)n2)cc(Cl)c1OC ZINC001435226086 1064606158 /nfs/dbraw/zinc/60/61/58/1064606158.db2.gz SEWZLPMDYJNQKR-UHFFFAOYSA-N 0 0 457.914 4.767 20 0 JJADRN CC(C)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001359899768 1064606992 /nfs/dbraw/zinc/60/69/92/1064606992.db2.gz QZNHDRLJLZIBBZ-OAQYLSRUSA-N 0 0 474.049 4.551 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 ZINC001359899697 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COCCOc1ccc(CC(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC001435357781 1064722034 /nfs/dbraw/zinc/72/20/34/1064722034.db2.gz YAZDJTSASHRKHZ-UHFFFAOYSA-N 0 0 453.922 4.790 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001435357736 1064722158 /nfs/dbraw/zinc/72/21/58/1064722158.db2.gz WDWWJIPRRQORNW-QGZVFWFLSA-N 0 0 458.942 4.665 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCSC2)cc1 ZINC001359954878 1064722194 /nfs/dbraw/zinc/72/21/94/1064722194.db2.gz MOWHMDKXXDNPIN-OFNKIYASSA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)c2nccs2)cc1 ZINC001359954908 1064722207 /nfs/dbraw/zinc/72/22/07/1064722207.db2.gz NQHKLFKTAZJUQX-MOPGFXCFSA-N 0 0 455.628 4.855 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1nc(-c2cccc(F)c2)no1 ZINC001435358469 1064722580 /nfs/dbraw/zinc/72/25/80/1064722580.db2.gz WBYCFQPOIUGGFS-SECBINFHSA-N 0 0 456.218 4.731 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC(=O)NC(C)C)cc1 ZINC001359955025 1064722910 /nfs/dbraw/zinc/72/29/10/1064722910.db2.gz PNEARRAVJAXUOW-UXHICEINSA-N 0 0 473.687 4.615 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1F ZINC001435358933 1064723233 /nfs/dbraw/zinc/72/32/33/1064723233.db2.gz WDQQGWAXNLPBHI-OAHLLOKOSA-N 0 0 454.523 4.796 20 0 JJADRN O=C(CN1C(=O)CCc2ccccc21)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001435359042 1064723390 /nfs/dbraw/zinc/72/33/90/1064723390.db2.gz QHFMNPHKQLKZOL-UHFFFAOYSA-N 0 0 455.396 4.747 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 ZINC001359955090 1064723364 /nfs/dbraw/zinc/72/33/64/1064723364.db2.gz VSGICXDAQPMBOH-UHFFFAOYSA-N 0 0 487.664 4.631 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360043 1064723862 /nfs/dbraw/zinc/72/38/62/1064723862.db2.gz JGZDQYVXBWOTEI-DZGCQCFKSA-N 0 0 454.308 4.687 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)[C@H](Cc1cccnc1)C1CCCC1)c1ccc2c(c1)OCO2 ZINC001435360212 1064724342 /nfs/dbraw/zinc/72/43/42/1064724342.db2.gz GQUAYDJLZJEDGE-OAQYLSRUSA-N 0 0 452.551 4.534 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001435362367 1064724724 /nfs/dbraw/zinc/72/47/24/1064724724.db2.gz JNRABWZDSDJICU-HNNXBMFYSA-N 0 0 452.376 4.678 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)CCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC001435362322 1064724744 /nfs/dbraw/zinc/72/47/44/1064724744.db2.gz OIIFVYGLXJENRK-UHFFFAOYSA-N 0 0 451.441 4.742 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001359956976 1064725067 /nfs/dbraw/zinc/72/50/67/1064725067.db2.gz FMWUWWKRICQLIO-GOSISDBHSA-N 0 0 450.892 4.791 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001435364315 1064725153 /nfs/dbraw/zinc/72/51/53/1064725153.db2.gz XENZNEJOIZMUCN-BJRSVTDJSA-N 0 0 453.535 4.981 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2ccc(Cl)cc2n1C ZINC001435364013 1064725215 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GUBFZMDRDNFSGT-UHFFFAOYSA-N 0 0 450.578 4.536 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnn(C)c3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001359957802 1064726520 /nfs/dbraw/zinc/72/65/20/1064726520.db2.gz DUTCWKMKELIBIO-UHFFFAOYSA-N 0 0 485.702 4.707 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H](C)[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC001435367409 1064726746 /nfs/dbraw/zinc/72/67/46/1064726746.db2.gz WIPGLSAWXCVQGZ-FCHUYYIVSA-N 0 0 450.604 4.889 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001359958029 1064726729 /nfs/dbraw/zinc/72/67/29/1064726729.db2.gz KSEAIZSNEHTMIO-MRXNPFEDSA-N 0 0 487.592 4.727 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3sc4nccc(C)c4c3C)CCCC2)cc1OC ZINC001435366723 1064726927 /nfs/dbraw/zinc/72/69/27/1064726927.db2.gz XZIRQIBASXBOMJ-UHFFFAOYSA-N 0 0 453.564 4.612 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001359958084 1064726832 /nfs/dbraw/zinc/72/68/32/1064726832.db2.gz MDKDQVXSFGYPDM-BVAGGSTKSA-N 0 0 469.674 4.747 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccccc1 ZINC001435368803 1064727185 /nfs/dbraw/zinc/72/71/85/1064727185.db2.gz HBXNYTFUSIPGQU-FQEVSTJZSA-N 0 0 451.473 4.577 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359958156 1064727368 /nfs/dbraw/zinc/72/73/68/1064727368.db2.gz NLAMXSGZWPKPSD-FQEVSTJZSA-N 0 0 499.647 4.846 20 0 JJADRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001435370467 1064727714 /nfs/dbraw/zinc/72/77/14/1064727714.db2.gz SRRCYWMRBUZQAN-GOSISDBHSA-N 0 0 455.769 4.974 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC001435369629 1064727762 /nfs/dbraw/zinc/72/77/62/1064727762.db2.gz WIOGLUWIXCHVSG-MGPUTAFESA-N 0 0 458.990 4.871 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001435369730 1064727783 /nfs/dbraw/zinc/72/77/83/1064727783.db2.gz LSMCZLLWFJTHRQ-HFZDXXHNSA-N 0 0 454.570 4.832 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001359958351 1064727839 /nfs/dbraw/zinc/72/78/39/1064727839.db2.gz SXUWIWXFOVGVPD-SFTDATJTSA-N 0 0 474.621 4.810 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001359958285 1064727910 /nfs/dbraw/zinc/72/79/10/1064727910.db2.gz RCKJVODIKJDDJY-GOSISDBHSA-N 0 0 484.538 4.603 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001435371201 1064728222 /nfs/dbraw/zinc/72/82/22/1064728222.db2.gz WEYIBAUXSKQADC-UHFFFAOYSA-N 0 0 454.596 4.509 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001359958459 1064728482 /nfs/dbraw/zinc/72/84/82/1064728482.db2.gz XAINRCGLTWGTNI-VXKWHMMOSA-N 0 0 455.647 4.501 20 0 JJADRN Cc1nc(NC(=O)CCc2nc3cc(Cl)ccc3s2)ccc1I ZINC001435373503 1064728707 /nfs/dbraw/zinc/72/87/07/1064728707.db2.gz VEYRGWYXBDGWAC-UHFFFAOYSA-N 0 0 457.724 4.829 20 0 JJADRN CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001359958607 1064728729 /nfs/dbraw/zinc/72/87/29/1064728729.db2.gz BCDBCBQPZWBFNP-UHFFFAOYSA-N 0 0 483.016 4.594 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC001435375070 1064729144 /nfs/dbraw/zinc/72/91/44/1064729144.db2.gz VKKROWYKYCKBCA-QKKBWIMNSA-N 0 0 452.979 4.561 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c1 ZINC001435375073 1064729227 /nfs/dbraw/zinc/72/92/27/1064729227.db2.gz VKKROWYKYCKBCA-SPLOXXLWSA-N 0 0 452.979 4.561 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001359958892 1064729575 /nfs/dbraw/zinc/72/95/75/1064729575.db2.gz LCPKDYRTAUUFNG-JOCHJYFZSA-N 0 0 494.702 4.876 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001359958813 1064729671 /nfs/dbraw/zinc/72/96/71/1064729671.db2.gz IEVLSRGQDVIJAV-MHZLTWQESA-N 0 0 467.658 4.554 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001359958907 1064729757 /nfs/dbraw/zinc/72/97/57/1064729757.db2.gz LOTVCVYHCNZYAS-PMACEKPBSA-N 0 0 480.451 4.636 20 0 JJADRN CCCc1c(C(=O)N2CCCc3c(F)cccc32)nnn1Cc1cccc(Br)c1 ZINC001435379373 1064730520 /nfs/dbraw/zinc/73/05/20/1064730520.db2.gz NNKUBQLJSHCKAQ-UHFFFAOYSA-N 0 0 457.347 4.774 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)CC1 ZINC001359959133 1064730589 /nfs/dbraw/zinc/73/05/89/1064730589.db2.gz SEWCGKRTLYKPGG-UHFFFAOYSA-N 0 0 490.670 4.834 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001359959217 1064730847 /nfs/dbraw/zinc/73/08/47/1064730847.db2.gz VCXNEUZUKZKWOL-WOJBJXKFSA-N 0 0 473.687 4.737 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001435380551 1064731384 /nfs/dbraw/zinc/73/13/84/1064731384.db2.gz NEIWYEWZDKOAKE-MGGBDBEPSA-N 0 0 454.239 4.622 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359959352 1064731719 /nfs/dbraw/zinc/73/17/19/1064731719.db2.gz YRYANYHJARXJRQ-UHFFFAOYSA-N 0 0 478.645 4.556 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)nc1 ZINC001359959503 1064731734 /nfs/dbraw/zinc/73/17/34/1064731734.db2.gz DSWIMOATUMGSOK-UHFFFAOYSA-N 0 0 452.536 4.924 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001359959682 1064731764 /nfs/dbraw/zinc/73/17/64/1064731764.db2.gz LYNOITDCYDFTST-UHFFFAOYSA-N 0 0 453.739 4.941 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 ZINC001359959903 1064732122 /nfs/dbraw/zinc/73/21/22/1064732122.db2.gz VUSAJFZYVTUXJR-LJQANCHMSA-N 0 0 454.530 4.810 20 0 JJADRN CC(=O)Nc1cc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc(C(F)(F)F)c1 ZINC001359960158 1064732297 /nfs/dbraw/zinc/73/22/97/1064732297.db2.gz HJQWDXSVFXQTGC-UHFFFAOYSA-N 0 0 454.876 4.795 20 0 JJADRN O=C(O[C@@H]1CCCc2cc(F)ccc21)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001435383602 1064732257 /nfs/dbraw/zinc/73/22/57/1064732257.db2.gz DRXXXJUYTBCCBV-OAQYLSRUSA-N 0 0 451.947 4.888 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2scc(Br)c2C)n1 ZINC001435384305 1064732757 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CC(C)CCOCCn1c(-c2ccccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359964643 1064739374 /nfs/dbraw/zinc/73/93/74/1064739374.db2.gz BHXJPQBRODIXHT-UHFFFAOYSA-N 0 0 464.433 4.863 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359964745 1064739403 /nfs/dbraw/zinc/73/94/03/1064739403.db2.gz FHIMEOYFTXGYKP-JOCHJYFZSA-N 0 0 472.527 4.677 20 0 JJADRN CC(C)CCOCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001359964663 1064739555 /nfs/dbraw/zinc/73/95/55/1064739555.db2.gz BVRTVOZICQLGNH-JOCHJYFZSA-N 0 0 473.980 4.773 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(Br)cn(C)c1=O ZINC001435400979 1064740210 /nfs/dbraw/zinc/74/02/10/1064740210.db2.gz AUWSBGBAWYPOJS-UHFFFAOYSA-N 0 0 457.111 4.670 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359965163 1064740351 /nfs/dbraw/zinc/74/03/51/1064740351.db2.gz STFIUDGUTPJNAC-HSZRJFAPSA-N 0 0 467.614 4.914 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)Nc1ccc(Cl)cc1-c1nc(CC(C)C)no1 ZINC001435401231 1064740781 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20 0 JJADRN COC[C@H](Cc1ccccc1)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001435403437 1064741602 /nfs/dbraw/zinc/74/16/02/1064741602.db2.gz ODMYOWSVPPYTCM-KRWDZBQOSA-N 0 0 459.315 4.763 20 0 JJADRN COC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001435404407 1064741812 /nfs/dbraw/zinc/74/18/12/1064741812.db2.gz QMIZFWFQWCQITP-AREMUKBSSA-N 0 0 459.586 4.688 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435404759 1064742084 /nfs/dbraw/zinc/74/20/84/1064742084.db2.gz RLSNNBLGKAWBLR-AWEZNQCLSA-N 0 0 458.839 4.911 20 0 JJADRN CC(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001359967511 1064742717 /nfs/dbraw/zinc/74/27/17/1064742717.db2.gz UFUGTKJXQISIJC-SIKLNZKXSA-N 0 0 481.012 4.605 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC001435406978 1064742694 /nfs/dbraw/zinc/74/26/94/1064742694.db2.gz UNJUBZWEHJRPIY-NIYFSFCBSA-N 0 0 454.574 4.791 20 0 JJADRN CC[C@@H](CNC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001435406164 1064742731 /nfs/dbraw/zinc/74/27/31/1064742731.db2.gz IRDMENUUSRSCOH-RXFWQSSRSA-N 0 0 456.558 4.678 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001359967799 1064743178 /nfs/dbraw/zinc/74/31/78/1064743178.db2.gz BLLPGOFUKNMUKW-GOSISDBHSA-N 0 0 487.998 4.658 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001359967800 1064743235 /nfs/dbraw/zinc/74/32/35/1064743235.db2.gz BLLPGOFUKNMUKW-SFHVURJKSA-N 0 0 487.998 4.658 20 0 JJADRN CC(C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001359967635 1064743358 /nfs/dbraw/zinc/74/33/58/1064743358.db2.gz XGMQEFWWIGNRTE-UXHICEINSA-N 0 0 495.734 4.786 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001435408323 1064743290 /nfs/dbraw/zinc/74/32/90/1064743290.db2.gz WYXLTXBZURLMGJ-OAQYLSRUSA-N 0 0 453.587 4.938 20 0 JJADRN 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1064744896 /nfs/dbraw/zinc/74/48/96/1064744896.db2.gz QCRZOKKRCQPXGA-UHFFFAOYSA-N 0 0 452.436 4.774 20 0 JJADRN C[C@@H](c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1)N1CCOCC1 ZINC001359968726 1064745006 /nfs/dbraw/zinc/74/50/06/1064745006.db2.gz GKGMQZWXUQXQIA-KRWDZBQOSA-N 0 0 456.011 4.962 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC[C@@H]1c1ccccc1 ZINC001435415324 1064745993 /nfs/dbraw/zinc/74/59/93/1064745993.db2.gz CXAZEPMAXUMTQF-DHLKQENFSA-N 0 0 456.652 4.692 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359970090 1064745928 /nfs/dbraw/zinc/74/59/28/1064745928.db2.gz GEXHPUKKIMGOTI-LEWJYISDSA-N 0 0 493.693 4.664 20 0 JJADRN CC(C)CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001359970231 1064745983 /nfs/dbraw/zinc/74/59/83/1064745983.db2.gz KWOOFKGGFDESGZ-QRVBRYPASA-N 0 0 485.620 4.593 20 0 JJADRN CC(C)CCOCCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359970195 1064746100 /nfs/dbraw/zinc/74/61/00/1064746100.db2.gz JRDDEHNXXKYLLF-HFZDXXHNSA-N 0 0 456.631 4.505 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cccs2)CC1 ZINC001359970063 1064746119 /nfs/dbraw/zinc/74/61/19/1064746119.db2.gz FISBXKKAWBTISW-DHIUTWEWSA-N 0 0 489.730 4.643 20 0 JJADRN CCCCOCCN(C(=O)Cn1ccc2ccccc2c1=O)c1cccc(Br)c1 ZINC001435414922 1064746041 /nfs/dbraw/zinc/74/60/41/1064746041.db2.gz BIQJZIBRWUYFGW-UHFFFAOYSA-N 0 0 457.368 4.614 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001435414621 1064746080 /nfs/dbraw/zinc/74/60/80/1064746080.db2.gz XZSRSOPSZTWYAY-GOSISDBHSA-N 0 0 457.665 4.885 20 0 JJADRN Cc1cc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)n(-c2cc(C)nc(C)n2)n1 ZINC001435415983 1064746604 /nfs/dbraw/zinc/74/66/04/1064746604.db2.gz VPGWPBMCIUGIPJ-UHFFFAOYSA-N 0 0 456.428 4.822 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC[C@H]1c1ccccc1 ZINC001435415420 1064746648 /nfs/dbraw/zinc/74/66/48/1064746648.db2.gz FQEUCDWDGJQOQS-IEBWSBKVSA-N 0 0 453.384 4.994 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 ZINC001359970612 1064746605 /nfs/dbraw/zinc/74/66/05/1064746605.db2.gz YGVNNKFWIGGTDD-FQEVSTJZSA-N 0 0 461.651 4.793 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N(C)c1ccccc1 ZINC001359970814 1064747047 /nfs/dbraw/zinc/74/70/47/1064747047.db2.gz FOUZDSITASBPLK-QGZVFWFLSA-N 0 0 459.436 4.663 20 0 JJADRN O=C(OCc1noc(-c2ccc(F)cc2)n1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001435417372 1064747131 /nfs/dbraw/zinc/74/71/31/1064747131.db2.gz KDRGFHRIRRLEIC-UHFFFAOYSA-N 0 0 450.323 4.576 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@H]1c1ccccc1 ZINC001435417258 1064747144 /nfs/dbraw/zinc/74/71/44/1064747144.db2.gz SHYCZORFEMAIPK-DYESRHJHSA-N 0 0 453.384 4.994 20 0 JJADRN O=C(CCOc1ccccc1I)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001435419082 1064748084 /nfs/dbraw/zinc/74/80/84/1064748084.db2.gz FXTLWYVFHJVXHD-QWHCGFSZSA-N 0 0 455.258 4.545 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)COCc1ccccc1 ZINC001359971488 1064748327 /nfs/dbraw/zinc/74/83/27/1064748327.db2.gz XTYRSWBGSUMOBR-KRWDZBQOSA-N 0 0 460.420 4.981 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC001359972063 1064748578 /nfs/dbraw/zinc/74/85/78/1064748578.db2.gz HTVOMFSYGKGGTB-UHFFFAOYSA-N 0 0 452.370 4.651 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001359972060 1064748672 /nfs/dbraw/zinc/74/86/72/1064748672.db2.gz HSBWYIRGTYAMKR-GFCCVEGCSA-N 0 0 451.470 4.606 20 0 JJADRN CCCc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC001435419910 1064748646 /nfs/dbraw/zinc/74/86/46/1064748646.db2.gz AIUIWCXMYQHLSF-UHFFFAOYSA-N 0 0 456.391 4.952 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N[C@H](C1CCCC1)C(F)(F)F ZINC001435421623 1064749171 /nfs/dbraw/zinc/74/91/71/1064749171.db2.gz FQUYRVYXZDVIGQ-GOSISDBHSA-N 0 0 450.486 4.857 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001359973122 1064750313 /nfs/dbraw/zinc/75/03/13/1064750313.db2.gz JUJYNAVPKRBSGY-SFHVURJKSA-N 0 0 486.707 4.817 20 0 JJADRN O=C(Nc1ccc(OC2CCC2)c(F)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435423400 1064750415 /nfs/dbraw/zinc/75/04/15/1064750415.db2.gz NSYBMCXKAHCDRH-HNNXBMFYSA-N 0 0 450.432 4.763 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001359973393 1064750425 /nfs/dbraw/zinc/75/04/25/1064750425.db2.gz QUKQMQPDSSCTGT-FYYLOGMGSA-N 0 0 487.714 4.539 20 0 JJADRN CN(C(=O)c1ncc(Br)cc1Br)[C@H](c1ccccc1)C(F)(F)F ZINC001359973208 1064750558 /nfs/dbraw/zinc/75/05/58/1064750558.db2.gz ZYCGAIFSVWYUQQ-CYBMUJFWSA-N 0 0 452.068 4.982 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)C(F)(F)c3ncccc3Br)c2)cc1 ZINC001435425167 1064750827 /nfs/dbraw/zinc/75/08/27/1064750827.db2.gz AEXGXMMGPGWOMD-UHFFFAOYSA-N 0 0 453.308 4.989 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1c(F)cccc1Cl ZINC001435425616 1064750841 /nfs/dbraw/zinc/75/08/41/1064750841.db2.gz TXDJDNYGBMRRFZ-OAHLLOKOSA-N 0 0 458.942 4.722 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1c(F)cccc1Cl ZINC001435425613 1064751087 /nfs/dbraw/zinc/75/10/87/1064751087.db2.gz TXDJDNYGBMRRFZ-HNNXBMFYSA-N 0 0 458.942 4.722 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359973903 1064751606 /nfs/dbraw/zinc/75/16/06/1064751606.db2.gz LGORQWZWULHIPI-SFHVURJKSA-N 0 0 452.603 4.841 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC001359974935 1064752040 /nfs/dbraw/zinc/75/20/40/1064752040.db2.gz CEGQXUYPLUNCIM-AWEZNQCLSA-N 0 0 454.493 4.731 20 0 JJADRN Cc1ccc(I)c(OC(=O)c2cnn(Cc3ccccc3)c2Cl)c1 ZINC001435428926 1064752089 /nfs/dbraw/zinc/75/20/89/1064752089.db2.gz IMCVEBAUOYQVIM-UHFFFAOYSA-N 0 0 452.679 4.717 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2cc(Br)cnc2OCC2CC2)cc1 ZINC001359975077 1064752207 /nfs/dbraw/zinc/75/22/07/1064752207.db2.gz GBMMXQJRKQLOQO-UHFFFAOYSA-N 0 0 450.358 4.659 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359976234 1064753077 /nfs/dbraw/zinc/75/30/77/1064753077.db2.gz LLZZKFKYUZFBRU-IBGZPJMESA-N 0 0 466.630 4.929 20 0 JJADRN CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359976541 1064753183 /nfs/dbraw/zinc/75/31/83/1064753183.db2.gz VHIQILMXQQHJGN-OALUTQOASA-N 0 0 466.630 4.532 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359976235 1064753218 /nfs/dbraw/zinc/75/32/18/1064753218.db2.gz LLZZKFKYUZFBRU-LJQANCHMSA-N 0 0 466.630 4.929 20 0 JJADRN Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)CC2)c(C)c1 ZINC001435431399 1064753130 /nfs/dbraw/zinc/75/31/30/1064753130.db2.gz ILPMWAAVNXKKCW-UHFFFAOYSA-N 0 0 451.567 4.709 20 0 JJADRN Cc1cc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)nn1-c1ccc(C)cc1 ZINC001435431343 1064753165 /nfs/dbraw/zinc/75/31/65/1064753165.db2.gz YBSSGVCKYVEZHJ-UHFFFAOYSA-N 0 0 450.495 4.817 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)OCCCO2 ZINC001359977652 1064753696 /nfs/dbraw/zinc/75/36/96/1064753696.db2.gz JRPBRDVWYUTQPU-NRFANRHFSA-N 0 0 499.656 4.694 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cccc(F)c1 ZINC001359978181 1064754168 /nfs/dbraw/zinc/75/41/68/1064754168.db2.gz RBWYUOIPZFJOQE-UHFFFAOYSA-N 0 0 459.610 4.867 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001359978313 1064754226 /nfs/dbraw/zinc/75/42/26/1064754226.db2.gz UOCSLJDIMBDFHA-FQEVSTJZSA-N 0 0 471.646 4.952 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001359978497 1064754540 /nfs/dbraw/zinc/75/45/40/1064754540.db2.gz ZOCDRXPGPSMLAS-ZWKOTPCHSA-N 0 0 467.605 4.920 20 0 JJADRN CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC)cc1 ZINC001359978789 1064754570 /nfs/dbraw/zinc/75/45/70/1064754570.db2.gz JYJDPAORVLBQCE-LAUBAEHRSA-N 0 0 459.384 4.858 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359978457 1064754655 /nfs/dbraw/zinc/75/46/55/1064754655.db2.gz YMDMECBTXXECFK-PWRODBHTSA-N 0 0 463.667 4.690 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2ccccc2F)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359979446 1064755001 /nfs/dbraw/zinc/75/50/01/1064755001.db2.gz GKGRYEIVNPCPBG-LJQANCHMSA-N 0 0 459.610 4.747 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCc1csc(C(C)(C)C)n1 ZINC001359979650 1064755063 /nfs/dbraw/zinc/75/50/63/1064755063.db2.gz MNKAXMBTUZOVBP-HXUWFJFHSA-N 0 0 455.628 4.880 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001435434462 1064755160 /nfs/dbraw/zinc/75/51/60/1064755160.db2.gz MGMBGEMDUIZQMQ-GCJKJVERSA-N 0 0 458.624 4.703 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001435434459 1064755268 /nfs/dbraw/zinc/75/52/68/1064755268.db2.gz MGMBGEMDUIZQMQ-AVRDEDQJSA-N 0 0 458.624 4.703 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSc1ccccc1 ZINC001359979778 1064755232 /nfs/dbraw/zinc/75/52/32/1064755232.db2.gz QOQKXNDUJGFINE-OAQYLSRUSA-N 0 0 489.686 4.861 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1csc(C(C)(C)C)n1 ZINC001359979649 1064755244 /nfs/dbraw/zinc/75/52/44/1064755244.db2.gz MNKAXMBTUZOVBP-FQEVSTJZSA-N 0 0 455.628 4.880 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCC1(F)F ZINC001359980003 1064755500 /nfs/dbraw/zinc/75/55/00/1064755500.db2.gz YDCBIYOTAYMVAP-MSOLQXFVSA-N 0 0 471.593 4.504 20 0 JJADRN C[S@](=O)c1ccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1 ZINC001435434845 1064755514 /nfs/dbraw/zinc/75/55/14/1064755514.db2.gz JCWXDQQRQYQLNA-KMRXNPHXSA-N 0 0 458.377 4.623 20 0 JJADRN C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC001435435042 1064755589 /nfs/dbraw/zinc/75/55/89/1064755589.db2.gz CWAKCCDLYCSGJE-PXNSSMCTSA-N 0 0 456.587 4.701 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359980465 1064756209 /nfs/dbraw/zinc/75/62/09/1064756209.db2.gz KURBZTWSCJFWPG-KOSHJBKYSA-N 0 0 457.014 4.564 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)Oc1cccc(C(F)(F)F)c1 ZINC001435436457 1064756295 /nfs/dbraw/zinc/75/62/95/1064756295.db2.gz PKUHSXQPGVXERP-PBHICJAKSA-N 0 0 458.274 4.918 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2ccc(N=S(C)(C)=O)cc2)c2cc(F)ccc2OC)c1 ZINC001435437647 1064756504 /nfs/dbraw/zinc/75/65/04/1064756504.db2.gz UFKDDCXYJMIBES-HSZRJFAPSA-N 0 0 456.539 4.721 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)Oc1cccc(C(F)(F)F)c1 ZINC001435436462 1064756588 /nfs/dbraw/zinc/75/65/88/1064756588.db2.gz PKUHSXQPGVXERP-YOEHRIQHSA-N 0 0 458.274 4.918 20 0 JJADRN CC(C)(COCc1ccccc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981131 1064756719 /nfs/dbraw/zinc/75/67/19/1064756719.db2.gz RCRWRHFCADJNHC-QHCPKHFHSA-N 0 0 459.030 4.851 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)Cc3ccccc3Cl)s2)CC1 ZINC001359981897 1064756907 /nfs/dbraw/zinc/75/69/07/1064756907.db2.gz HLODIDZBMPYRNK-UHFFFAOYSA-N 0 0 455.045 4.573 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)c2cc(F)ccc2OC)c1 ZINC001435438483 1064757104 /nfs/dbraw/zinc/75/71/04/1064757104.db2.gz VZMBHYCGFBBFMJ-RNODOKPDSA-N 0 0 451.420 4.525 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001435437672 1064757154 /nfs/dbraw/zinc/75/71/54/1064757154.db2.gz UKCPSTCENJEQFY-QHCPKHFHSA-N 0 0 453.558 4.997 20 0 JJADRN C[C@@H](C(=O)Nc1ccnn1-c1cccc(Cl)c1)c1ccc(I)cc1 ZINC001359982332 1064756981 /nfs/dbraw/zinc/75/69/81/1064756981.db2.gz ZPXZOPOVZKOCGF-GFCCVEGCSA-N 0 0 451.695 4.873 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3ccc(OC(F)F)c(Br)c3)n2)cc1 ZINC001359981982 1064757022 /nfs/dbraw/zinc/75/70/22/1064757022.db2.gz KJSKGRVKVGPBOI-UHFFFAOYSA-N 0 0 456.268 4.830 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981693 1064757105 /nfs/dbraw/zinc/75/71/05/1064757105.db2.gz ZHEPTJJSXDJPRA-QFIPXVFZSA-N 0 0 459.030 4.886 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)CC2(Cl)Cl)cc1 ZINC001435438635 1064757708 /nfs/dbraw/zinc/75/77/08/1064757708.db2.gz XCBJPIZSKVONNL-DFLKDEADSA-N 0 0 454.419 4.858 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1Cl ZINC001435439831 1064758022 /nfs/dbraw/zinc/75/80/22/1064758022.db2.gz DWUVIGUWYBDEOL-UHFFFAOYSA-N 0 0 453.004 4.984 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359982682 1064758062 /nfs/dbraw/zinc/75/80/62/1064758062.db2.gz JJGJZUGKFDLXEM-VAMGGRTRSA-N 0 0 465.683 4.792 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359982683 1064758091 /nfs/dbraw/zinc/75/80/91/1064758091.db2.gz JJGJZUGKFDLXEM-XUVXKRRUSA-N 0 0 465.683 4.792 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1nc(Cc2ccccc2)no1 ZINC001435441425 1064758611 /nfs/dbraw/zinc/75/86/11/1064758611.db2.gz VAWJJYBDAVKPNP-LLVKDONJSA-N 0 0 452.255 4.515 20 0 JJADRN CC(C)CN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCS1(=O)=O)C(C)C ZINC001359983011 1064759282 /nfs/dbraw/zinc/75/92/82/1064759282.db2.gz JYYQOTSEKLMNLP-QFIPXVFZSA-N 0 0 458.672 4.586 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3CCN(c4cc(F)ccc4F)CC3)cc2nc1C(F)(F)F ZINC001435443196 1064759779 /nfs/dbraw/zinc/75/97/79/1064759779.db2.gz IYUSJBZUKDCPJQ-UHFFFAOYSA-N 0 0 452.427 4.877 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCN(c4cc(F)ccc4F)CC3)ccc21 ZINC001435442818 1064759794 /nfs/dbraw/zinc/75/97/94/1064759794.db2.gz HFLUXGTZBKFNJL-UHFFFAOYSA-N 0 0 457.521 4.615 20 0 JJADRN CC(C)CN(c1nnc(C(=O)NC(C)C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1)C(C)C ZINC001359983237 1064759741 /nfs/dbraw/zinc/75/97/41/1064759741.db2.gz MMNNYDYVILKZJD-GOSISDBHSA-N 0 0 457.516 4.908 20 0 JJADRN CC(C)CN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CCCC1 ZINC001359983240 1064759848 /nfs/dbraw/zinc/75/98/48/1064759848.db2.gz MNSGVYMZDGYMKQ-HSZRJFAPSA-N 0 0 453.631 4.972 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001435443841 1064760267 /nfs/dbraw/zinc/76/02/67/1064760267.db2.gz PLHWDTRLTRGGBG-DPZOUVDISA-N 0 0 458.986 4.717 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC001435444987 1064760889 /nfs/dbraw/zinc/76/08/89/1064760889.db2.gz CAXVDGFAIPNBQH-LLVKDONJSA-N 0 0 450.720 4.581 20 0 JJADRN COc1ccccc1C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)C(C)C ZINC001435445983 1064761276 /nfs/dbraw/zinc/76/12/76/1064761276.db2.gz FJTQUQBLPJYZLY-NRFANRHFSA-N 0 0 456.384 4.949 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1c2ccccc2C[C@H]1C)C(C)C ZINC001359984545 1064761368 /nfs/dbraw/zinc/76/13/68/1064761368.db2.gz AGSSPZZMDPLGIN-AJTFRIOCSA-N 0 0 469.674 4.641 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1)C1CCCC1 ZINC001359983748 1064761385 /nfs/dbraw/zinc/76/13/85/1064761385.db2.gz XWVIBBJZBIXOTR-KRWDZBQOSA-N 0 0 475.684 4.556 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)c2)n1 ZINC001435446910 1064762470 /nfs/dbraw/zinc/76/24/70/1064762470.db2.gz QVYZRQWCARSOAF-OAQYLSRUSA-N 0 0 450.539 4.887 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001435447100 1064762535 /nfs/dbraw/zinc/76/25/35/1064762535.db2.gz GOHLKFGSIHVWET-UHFFFAOYSA-N 0 0 458.839 4.683 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCOCC1)C1CCCC1 ZINC001359984697 1064762566 /nfs/dbraw/zinc/76/25/66/1064762566.db2.gz CIWQQTAQWLFKAC-UHFFFAOYSA-N 0 0 464.029 4.865 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2COc3ccccc3C2)c2ccccc2)cc1Br ZINC001359985039 1064762593 /nfs/dbraw/zinc/76/25/93/1064762593.db2.gz MTZCPFKENGTNIK-WMZHIEFXSA-N 0 0 452.348 4.915 20 0 JJADRN CC(C)CN(c1nnc(-c2sc3ccccc3c2Cl)n1CCS(C)(=O)=O)C(C)C ZINC001359984994 1064763425 /nfs/dbraw/zinc/76/34/25/1064763425.db2.gz GHAVXIIRORHKPD-UHFFFAOYSA-N 0 0 455.049 4.729 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCc3ccc(OC)c(Cl)c3)c2C)ccn1 ZINC001435448340 1064763565 /nfs/dbraw/zinc/76/35/65/1064763565.db2.gz GJVWNHCEJLIGDN-UHFFFAOYSA-N 0 0 454.910 4.742 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCCOc3ccccc3Cl)c2C)ccn1 ZINC001435448318 1064763760 /nfs/dbraw/zinc/76/37/60/1064763760.db2.gz GFQNETTYVCQRCU-UHFFFAOYSA-N 0 0 454.910 4.960 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@H](F)C1)C1CCCC1 ZINC001359985970 1064765402 /nfs/dbraw/zinc/76/54/02/1064765402.db2.gz SWPYEGZDHUDEEQ-PZJWPPBQSA-N 0 0 491.677 4.739 20 0 JJADRN CCCOc1ccc(CNC(=O)Cc2sc(CC(F)(F)F)nc2C)c(OC(F)F)c1 ZINC001435454396 1064765662 /nfs/dbraw/zinc/76/56/62/1064765662.db2.gz NRRCLHYAXOJAJH-UHFFFAOYSA-N 0 0 452.445 4.805 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1c1cnn(C)c1)C(C)C ZINC001359986049 1064765961 /nfs/dbraw/zinc/76/59/61/1064765961.db2.gz WMBZXZJNBUSKCY-HXUWFJFHSA-N 0 0 487.599 4.820 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1NC(=O)OC(C)(C)C ZINC001435455946 1064767251 /nfs/dbraw/zinc/76/72/51/1064767251.db2.gz PRVHZNMKFBLXMN-LJQANCHMSA-N 0 0 451.567 4.624 20 0 JJADRN CC[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435455649 1064767432 /nfs/dbraw/zinc/76/74/32/1064767432.db2.gz KDMJWGUVRDLGSF-NFBKMPQASA-N 0 0 459.512 4.613 20 0 JJADRN COC(=O)CN(CCC(F)(F)F)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435457260 1064767838 /nfs/dbraw/zinc/76/78/38/1064767838.db2.gz AINVQCXXXAJFLX-UHFFFAOYSA-N 0 0 455.376 4.881 20 0 JJADRN CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435457057 1064767923 /nfs/dbraw/zinc/76/79/23/1064767923.db2.gz WBFZEFHDORFBKO-RSXGOPAZSA-N 0 0 450.623 4.611 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001359987435 1064768060 /nfs/dbraw/zinc/76/80/60/1064768060.db2.gz GPAMJZIZTFIZQG-HZPDHXFCSA-N 0 0 457.621 4.510 20 0 JJADRN CC(C)CN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1cc(Br)cn1)C(C)C ZINC001359987106 1064768292 /nfs/dbraw/zinc/76/82/92/1064768292.db2.gz KYXFATKRXQTDEZ-UHFFFAOYSA-N 0 0 497.445 4.661 20 0 JJADRN O=C(NCCc1ccc(Cl)nc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001435458063 1064768322 /nfs/dbraw/zinc/76/83/22/1064768322.db2.gz DWSVCGPFCOLQPE-UHFFFAOYSA-N 0 0 458.743 4.722 20 0 JJADRN COC(=O)CN(CCC(F)(F)F)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001435457539 1064768372 /nfs/dbraw/zinc/76/83/72/1064768372.db2.gz FWRCGDMBCHSVFE-UHFFFAOYSA-N 0 0 451.228 4.748 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)/C=C\c2csc(C(F)(F)F)c2)cc1 ZINC001435459048 1064769116 /nfs/dbraw/zinc/76/91/16/1064769116.db2.gz JFGYMJWNASKUGI-UJNBGNEJSA-N 0 0 454.514 4.953 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NC[C@@H](C)CSc3ccccc3OC)s2)cc1OC ZINC001359987985 1064769142 /nfs/dbraw/zinc/76/91/42/1064769142.db2.gz OYZGYKSJAHFHCR-OAHLLOKOSA-N 0 0 458.605 4.994 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001359988548 1064769303 /nfs/dbraw/zinc/76/93/03/1064769303.db2.gz JODKOMODGFTKDE-ACJLOTCBSA-N 0 0 459.296 4.724 20 0 JJADRN CC(C)CN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1CCOC1)C(C)C ZINC001359989029 1064769905 /nfs/dbraw/zinc/76/99/05/1064769905.db2.gz CCDULKBSTWLCGL-FQEVSTJZSA-N 0 0 463.667 4.690 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(F)(F)F ZINC001435460727 1064770214 /nfs/dbraw/zinc/77/02/14/1064770214.db2.gz MIRSMNMYDGJDMY-MJGOQNOKSA-N 0 0 455.477 4.525 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1 ZINC001435460531 1064770259 /nfs/dbraw/zinc/77/02/59/1064770259.db2.gz NZYIELARFOTJES-QHCPKHFHSA-N 0 0 454.979 4.530 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OCC(F)(F)F)nc1)C(C)C ZINC001359989057 1064770516 /nfs/dbraw/zinc/77/05/16/1064770516.db2.gz CUIZXJSMZIBKTM-LJQANCHMSA-N 0 0 469.552 4.969 20 0 JJADRN CC(C)CN(c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)cc1)C(C)C ZINC001359989387 1064770545 /nfs/dbraw/zinc/77/05/45/1064770545.db2.gz KMYZRFGXVHCWJH-UHFFFAOYSA-N 0 0 451.594 4.510 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359989879 1064771553 /nfs/dbraw/zinc/77/15/53/1064771553.db2.gz QYMDUEYVRLGMQR-MBSDFSHPSA-N 0 0 466.548 4.637 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC001435462395 1064771812 /nfs/dbraw/zinc/77/18/12/1064771812.db2.gz CNAFXJKGGQLUTH-FDDCHVKYSA-N 0 0 454.567 4.760 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001359990590 1064772116 /nfs/dbraw/zinc/77/21/16/1064772116.db2.gz ZSQYIRMUXQVDNZ-NRFANRHFSA-N 0 0 461.651 4.610 20 0 JJADRN COC(=O)Nc1cc(C(=O)O[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(C(F)(F)F)c1 ZINC001435462655 1064772289 /nfs/dbraw/zinc/77/22/89/1064772289.db2.gz WYRJCDPULJUERW-CQSZACIVSA-N 0 0 453.339 4.694 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1)C1CCCC1 ZINC001359991087 1064772750 /nfs/dbraw/zinc/77/27/50/1064772750.db2.gz VSHWPPQZAXZYOL-PZJWPPBQSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)COC2)C(C)C ZINC001359991212 1064773159 /nfs/dbraw/zinc/77/31/59/1064773159.db2.gz WFSLXVZSGKJUOK-QHCPKHFHSA-N 0 0 499.656 4.536 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COc3ccccc3O2)n1C[C@](C)(O)c1cccs1)C(C)C ZINC001359991459 1064773330 /nfs/dbraw/zinc/77/33/30/1064773330.db2.gz ZJUCHSCPEZCHDU-YKSBVNFPSA-N 0 0 456.612 4.631 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)c21 ZINC001435464813 1064773395 /nfs/dbraw/zinc/77/33/95/1064773395.db2.gz TZXMJDDPHHGQSW-UHFFFAOYSA-N 0 0 454.374 4.935 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)cn2)cc1 ZINC001435465014 1064773411 /nfs/dbraw/zinc/77/34/11/1064773411.db2.gz MPSLXTLFYQVQLX-CQSZACIVSA-N 0 0 453.461 4.538 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccncc2)n1CC1CCN(CC(F)(F)F)CC1)C1CCCC1 ZINC001359991828 1064773740 /nfs/dbraw/zinc/77/37/40/1064773740.db2.gz GUMODJGSRYZRBZ-UHFFFAOYSA-N 0 0 478.607 4.943 20 0 JJADRN COC(=O)Cc1cccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 ZINC001435466206 1064774310 /nfs/dbraw/zinc/77/43/10/1064774310.db2.gz 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CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001360004058 1064790114 /nfs/dbraw/zinc/79/01/14/1064790114.db2.gz DJFXFOCGWYKGOJ-RBBKRZOGSA-N 0 0 459.034 4.636 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360004249 1064790313 /nfs/dbraw/zinc/79/03/13/1064790313.db2.gz IAMWSIIUJDZBMF-XMMPIXPASA-N 0 0 457.412 4.639 20 0 JJADRN COC(=O)c1cccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC001435498302 1064790752 /nfs/dbraw/zinc/79/07/52/1064790752.db2.gz UCTSZALOKZHUPY-UHFFFAOYSA-N 0 0 459.933 4.838 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC001360004365 1064790608 /nfs/dbraw/zinc/79/06/08/1064790608.db2.gz JITMQDHQFKCDDN-UHFFFAOYSA-N 0 0 454.368 4.528 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001360004353 1064790689 /nfs/dbraw/zinc/79/06/89/1064790689.db2.gz INWMVRJCFCCBET-GOSISDBHSA-N 0 0 463.420 4.529 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001360004263 1064790859 /nfs/dbraw/zinc/79/08/59/1064790859.db2.gz FOEFCWPRJHHXLD-HXUWFJFHSA-N 0 0 450.631 4.928 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001360004576 1064791197 /nfs/dbraw/zinc/79/11/97/1064791197.db2.gz PNHGSFZCORUGOK-UHFFFAOYSA-N 0 0 490.471 4.659 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360004506 1064791296 /nfs/dbraw/zinc/79/12/96/1064791296.db2.gz MHEPPENBTXGGBU-UHFFFAOYSA-N 0 0 455.647 4.552 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360005014 1064791795 /nfs/dbraw/zinc/79/17/95/1064791795.db2.gz ZLCYLWKODYVVKG-SFHVURJKSA-N 0 0 451.409 4.527 20 0 JJADRN Cc1ccc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc1I ZINC001435502088 1064792301 /nfs/dbraw/zinc/79/23/01/1064792301.db2.gz FPNGSDCABMQDCW-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN CC(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435502336 1064792404 /nfs/dbraw/zinc/79/24/04/1064792404.db2.gz JRBSCWJFNFQICD-ZWKOTPCHSA-N 0 0 453.396 4.868 20 0 JJADRN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C1CC1 ZINC001360006146 1064792784 /nfs/dbraw/zinc/79/27/84/1064792784.db2.gz CJYUVHUGQLNBFM-SANMLTNESA-N 0 0 452.599 4.700 20 0 JJADRN CC(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001360005928 1064793100 /nfs/dbraw/zinc/79/31/00/1064793100.db2.gz HQOXKEKPPHDEHB-DHIUTWEWSA-N 0 0 483.657 4.558 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1cccc(-n2cccn2)n1 ZINC001435505269 1064793826 /nfs/dbraw/zinc/79/38/26/1064793826.db2.gz YPEUSHSIPPNQSQ-OAQYLSRUSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1C ZINC001360006779 1064793949 /nfs/dbraw/zinc/79/39/49/1064793949.db2.gz JYXGLPPXQBDVJA-FQEVSTJZSA-N 0 0 455.580 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC001435507339 1064794611 /nfs/dbraw/zinc/79/46/11/1064794611.db2.gz LOHUIJOJIOWOKK-JOCHJYFZSA-N 0 0 453.608 4.713 20 0 JJADRN CC(C)CN1C[C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC001360007268 1064794709 /nfs/dbraw/zinc/79/47/09/1064794709.db2.gz BGOKMLAFHMNXIA-FQEVSTJZSA-N 0 0 492.590 4.516 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)CC2 ZINC001435507889 1064794970 /nfs/dbraw/zinc/79/49/70/1064794970.db2.gz DNTNUDYFHJNWCZ-HNNXBMFYSA-N 0 0 451.485 4.852 20 0 JJADRN COc1ccc(C2(C(=O)Nc3cccc4c3CCN4C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC001435507887 1064794986 /nfs/dbraw/zinc/79/49/86/1064794986.db2.gz QFIKMNQFTJQUCU-UHFFFAOYSA-N 0 0 452.551 4.680 20 0 JJADRN CC(C)CN1C[C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccccc3C(F)(F)F)CCN2C1=O ZINC001360007431 1064795263 /nfs/dbraw/zinc/79/52/63/1064795263.db2.gz CEEQMKAMNWDBNP-LJQANCHMSA-N 0 0 492.590 4.516 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(OC[C@H]2CCCO2)c1 ZINC001435508601 1064795481 /nfs/dbraw/zinc/79/54/81/1064795481.db2.gz QXPRSGOBRIRKMD-RUZDIDTESA-N 0 0 458.558 4.759 20 0 JJADRN CSc1cc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)ccc1Br ZINC001435509830 1064796076 /nfs/dbraw/zinc/79/60/76/1064796076.db2.gz WLVNTSWBTABLHZ-KRWDZBQOSA-N 0 0 450.398 4.967 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001435509553 1064796171 /nfs/dbraw/zinc/79/61/71/1064796171.db2.gz IEPZPNADOGUAKZ-RKDXNWHRSA-N 0 0 450.052 4.766 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC001435509840 1064796230 /nfs/dbraw/zinc/79/62/30/1064796230.db2.gz WROVJMYNPWTLEV-KRWDZBQOSA-N 0 0 456.587 4.618 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)c1ccc(SC(F)(F)F)nc1 ZINC001435510246 1064796623 /nfs/dbraw/zinc/79/66/23/1064796623.db2.gz PMFUHVPDGMMJMH-UHFFFAOYSA-N 0 0 457.069 4.866 20 0 JJADRN CC(C)COc1cccc(OCC(=O)Nc2cnc(Br)c(Br)c2)c1 ZINC001435510607 1064797035 /nfs/dbraw/zinc/79/70/35/1064797035.db2.gz XJWPGKDUNIQCEZ-UHFFFAOYSA-N 0 0 458.150 4.659 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001435510388 1064797293 /nfs/dbraw/zinc/79/72/93/1064797293.db2.gz TXSQLKWFNJUBBX-FQEVSTJZSA-N 0 0 459.468 4.717 20 0 JJADRN O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435512213 1064797725 /nfs/dbraw/zinc/79/77/25/1064797725.db2.gz FGOLRZMFZYNIRN-KBXCAEBGSA-N 0 0 451.325 4.555 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001435516117 1064799640 /nfs/dbraw/zinc/79/96/40/1064799640.db2.gz HVPPVGXRDBMFOH-GOSISDBHSA-N 0 0 457.741 4.509 20 0 JJADRN Cc1c(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435516215 1064799673 /nfs/dbraw/zinc/79/96/73/1064799673.db2.gz ISIOJAOAEFOLDH-OAHLLOKOSA-N 0 0 454.456 4.712 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)C2)c1 ZINC001435515978 1064799690 /nfs/dbraw/zinc/79/96/90/1064799690.db2.gz VQSWMUUDHIGGIN-HSZRJFAPSA-N 0 0 454.429 4.906 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545891554 1064800107 /nfs/dbraw/zinc/80/01/07/1064800107.db2.gz CLDJYTCVRODOPC-PBWTXFEYSA-N 0 0 455.569 4.944 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1cc(Br)c(Cl)cc1OC ZINC001435516916 1064800278 /nfs/dbraw/zinc/80/02/78/1064800278.db2.gz UVJKTAZZGGUOQL-UHFFFAOYSA-N 0 0 454.748 4.707 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545891553 1064800296 /nfs/dbraw/zinc/80/02/96/1064800296.db2.gz CLDJYTCVRODOPC-NEPXVJNWSA-N 0 0 455.569 4.944 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC001435517794 1064801082 /nfs/dbraw/zinc/80/10/82/1064801082.db2.gz BRTADANGBWYNHY-NSHDSACASA-N 0 0 450.226 4.913 20 0 JJADRN C[C@H](c1ccccc1)n1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001435518259 1064801709 /nfs/dbraw/zinc/80/17/09/1064801709.db2.gz ZUHIUWYNIWTXRW-AOSWFRPUSA-N 0 0 457.361 4.957 20 0 JJADRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001435519284 1064802648 /nfs/dbraw/zinc/80/26/48/1064802648.db2.gz LHODDVDUHDSLDL-UHFFFAOYSA-N 0 0 457.452 4.969 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)c3ccsc3C(F)F)c2C(=O)N2CCOCC2)C1 ZINC001435520713 1064803388 /nfs/dbraw/zinc/80/33/88/1064803388.db2.gz WOIWWABHDIREJQ-UHFFFAOYSA-N 0 0 454.564 4.987 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)nc2)c1 ZINC001435521231 1064804061 /nfs/dbraw/zinc/80/40/61/1064804061.db2.gz OBAKTRFHHBJSJL-UHFFFAOYSA-N 0 0 455.396 4.734 20 0 JJADRN CN(C)c1nnc(-c2ccc(NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)cc2)o1 ZINC001435523831 1064806627 /nfs/dbraw/zinc/80/66/27/1064806627.db2.gz UULDDFMRZVMEOD-UHFFFAOYSA-N 0 0 451.914 4.694 20 0 JJADRN COc1ccc(Br)cc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001360011490 1064806577 /nfs/dbraw/zinc/80/65/77/1064806577.db2.gz ITGGPPHINVJLIA-SPLOXXLWSA-N 0 0 455.393 4.661 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)c3c(Br)nnn3C)c2)cc1 ZINC001435529032 1064810395 /nfs/dbraw/zinc/81/03/95/1064810395.db2.gz PFYWXISKVIEKQT-OAHLLOKOSA-N 0 0 457.372 4.865 20 0 JJADRN CCC(CC)(CC)CNC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001435530116 1064811370 /nfs/dbraw/zinc/81/13/70/1064811370.db2.gz FTJSSVAKDRQSFC-OAQYLSRUSA-N 0 0 454.615 4.883 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001435530313 1064811501 /nfs/dbraw/zinc/81/15/01/1064811501.db2.gz IQUMANKKVBIGOV-AWEZNQCLSA-N 0 0 450.532 4.948 20 0 JJADRN Cc1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c(OC(C)(C)C)c1 ZINC001435531065 1064813094 /nfs/dbraw/zinc/81/30/94/1064813094.db2.gz NLPLJGZHTKAXRH-UHFFFAOYSA-N 0 0 450.436 4.841 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCOC(F)F)CC1=O ZINC001360014539 1064813113 /nfs/dbraw/zinc/81/31/13/1064813113.db2.gz HCRZHTIYHBTUOQ-UHFFFAOYSA-N 0 0 497.999 4.747 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC001435532001 1064813136 /nfs/dbraw/zinc/81/31/36/1064813136.db2.gz XJDQQEGQFXUAHN-DEOSSOPVSA-N 0 0 454.636 4.879 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001435532225 1064813768 /nfs/dbraw/zinc/81/37/68/1064813768.db2.gz LXWPBILQDZPQKY-OALUTQOASA-N 0 0 453.457 4.978 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)Cc3sc(C)cc3Br)cc2c(OC)c1 ZINC001435532735 1064813816 /nfs/dbraw/zinc/81/38/16/1064813816.db2.gz SQBGSKGEXFETBR-UHFFFAOYSA-N 0 0 451.386 4.609 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)NCCOc1ccc(C(F)(F)F)cn1 ZINC001435533593 1064813870 /nfs/dbraw/zinc/81/38/70/1064813870.db2.gz MCQNGFLPHRIYEL-UHFFFAOYSA-N 0 0 458.527 4.543 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)cc2c(OC)c1 ZINC001435532351 1064813881 /nfs/dbraw/zinc/81/38/81/1064813881.db2.gz MVHUHSGLVVVAMI-UHFFFAOYSA-N 0 0 453.539 4.895 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)n2)cc1F ZINC001435534966 1064814495 /nfs/dbraw/zinc/81/44/95/1064814495.db2.gz KFRZFJYJFQAGNR-CYBMUJFWSA-N 0 0 459.403 4.880 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)CC2)c1 ZINC001435534516 1064814510 /nfs/dbraw/zinc/81/45/10/1064814510.db2.gz FBJXIXQSSVGAKV-UHFFFAOYSA-N 0 0 450.510 4.988 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C2CC(C(C)(C)C)C2)CC1=O ZINC001360016136 1064814700 /nfs/dbraw/zinc/81/47/00/1064814700.db2.gz XILXVXQYBXOIEH-XEVCZEQESA-N 0 0 471.621 4.859 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccnc3OCc3ccccc3F)n2)cc1F ZINC001435535026 1064815200 /nfs/dbraw/zinc/81/52/00/1064815200.db2.gz KXTZTSDFFKMWSJ-HNNXBMFYSA-N 0 0 450.445 4.788 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CCC2)cc1 ZINC001435536201 1064815461 /nfs/dbraw/zinc/81/54/61/1064815461.db2.gz DXAUTPBQECFYSY-UHFFFAOYSA-N 0 0 458.599 4.974 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)Cc2cccs2)CC1=O ZINC001360016363 1064815466 /nfs/dbraw/zinc/81/54/66/1064815466.db2.gz ZKERWZGWUNLBLT-WOJBJXKFSA-N 0 0 499.656 4.802 20 0 JJADRN Cc1c(I)cccc1C(=O)N1CCc2cccc(Br)c2C1 ZINC001435536830 1064816122 /nfs/dbraw/zinc/81/61/22/1064816122.db2.gz PKUUCDBQJPHKKH-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN C[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435539593 1064816777 /nfs/dbraw/zinc/81/67/77/1064816777.db2.gz HGVPHVCDERFGSC-NLYDNYMLSA-N 0 0 455.337 4.999 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(C)(F)F)[C@H](C)C1=O ZINC001360017230 1064817028 /nfs/dbraw/zinc/81/70/28/1064817028.db2.gz BXJWKJSLFSXJHW-CQSZACIVSA-N 0 0 474.383 4.990 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCCCO2)[C@H](C)C1=O ZINC001360017194 1064817154 /nfs/dbraw/zinc/81/71/54/1064817154.db2.gz BGZJZNLFFRTIHL-QPPBQGQZSA-N 0 0 481.685 4.895 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001435539702 1064817598 /nfs/dbraw/zinc/81/75/98/1064817598.db2.gz FSRDLKUREBFCJI-JOCHJYFZSA-N 0 0 458.436 4.524 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)cc1 ZINC001435540589 1064817665 /nfs/dbraw/zinc/81/76/65/1064817665.db2.gz SGXIHPLGFDKCLX-GUYCJALGSA-N 0 0 456.340 4.805 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001435539703 1064817717 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SXJUMOHJGYIXIP-AUSIDOKSSA-N 0 0 450.535 4.589 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(CCc1ccccc1)CCc1ccccc1 ZINC001435544247 1064820445 /nfs/dbraw/zinc/82/04/45/1064820445.db2.gz VFLYZNNUVCHANA-NDEPHWFRSA-N 0 0 454.614 4.971 20 0 JJADRN CN(CCOCc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001435544194 1064820589 /nfs/dbraw/zinc/82/05/89/1064820589.db2.gz ZVQZRRMEINDTFT-DEOSSOPVSA-N 0 0 450.966 4.876 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2ccsc2)[C@@H](C)C1=O ZINC001360018777 1064821025 /nfs/dbraw/zinc/82/10/25/1064821025.db2.gz WCZNHNMVWIGFAB-KRWDZBQOSA-N 0 0 458.031 4.596 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2cc(F)cc(F)c2)c1Cl ZINC001435547004 1064822056 /nfs/dbraw/zinc/82/20/56/1064822056.db2.gz LMXZQSWBAVDUNW-JTQLQIEISA-N 0 0 453.290 4.610 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001435547833 1064822952 /nfs/dbraw/zinc/82/29/52/1064822952.db2.gz CHJVWEICSFVKMT-FOIQADDNSA-N 0 0 454.876 4.772 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)c1cc(F)c(F)cc1I ZINC001360020067 1064823714 /nfs/dbraw/zinc/82/37/14/1064823714.db2.gz MKSHPEHEXWGJOX-UHFFFAOYSA-N 0 0 459.274 4.676 20 0 JJADRN CC[C@H](OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)c1c(F)cccc1Cl ZINC001435549313 1064823974 /nfs/dbraw/zinc/82/39/74/1064823974.db2.gz FKMRNRZUCOTWCX-KUHUBIRLSA-N 0 0 456.967 4.546 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CC2CCC(F)(F)CC2)[C@H](C)C1=O ZINC001360021772 1064825292 /nfs/dbraw/zinc/82/52/92/1064825292.db2.gz RAHWPGAJADFAPQ-QGZVFWFLSA-N 0 0 463.548 4.603 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](C)C2)[C@H](C)C1=O ZINC001360021433 1064825397 /nfs/dbraw/zinc/82/53/97/1064825397.db2.gz IIOIMFZMQQOBJO-IPMKNSEASA-N 0 0 488.474 4.837 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001435551495 1064825496 /nfs/dbraw/zinc/82/54/96/1064825496.db2.gz ZGGSHTPIVQPQDR-ZHRRBRCNSA-N 0 0 458.521 4.978 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001435551487 1064825561 /nfs/dbraw/zinc/82/55/61/1064825561.db2.gz ZGGSHTPIVQPQDR-KSFYIVLOSA-N 0 0 458.521 4.978 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)CC1=O ZINC001435552619 1064826014 /nfs/dbraw/zinc/82/60/14/1064826014.db2.gz OOZFMYMRQRDYAR-IRLDBZIGSA-N 0 0 452.595 4.876 20 0 JJADRN Cc1cc(OC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)ccc1Br ZINC001435553261 1064826055 /nfs/dbraw/zinc/82/60/55/1064826055.db2.gz ZQBHEHKPIZQRNC-UYRXBGFRSA-N 0 0 451.280 4.608 20 0 JJADRN Cn1c(C(=O)NCCCc2ccc3c(c2)OCCO3)ccc1-c1ccc(Br)cc1 ZINC001435553303 1064826102 /nfs/dbraw/zinc/82/61/02/1064826102.db2.gz VVABMPQMVKXNJA-UHFFFAOYSA-N 0 0 455.352 4.588 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CCc2csc(C(C)(C)C)n2)[C@@H](C)C1=O ZINC001360022008 1064826169 /nfs/dbraw/zinc/82/61/69/1064826169.db2.gz XLNOIPJWFWSWEV-SFHVURJKSA-N 0 0 498.672 4.774 20 0 JJADRN O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCc2ccc(Br)cc21 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CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](C)C2)[C@H](C)C1=O ZINC001360029888 1064832017 /nfs/dbraw/zinc/83/20/17/1064832017.db2.gz BBHYLLHLAXNHRW-SFHLNBCPSA-N 0 0 458.050 4.652 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001435561177 1064832585 /nfs/dbraw/zinc/83/25/85/1064832585.db2.gz CDQLBXFQBLUAHU-WOLRVDTOSA-N 0 0 453.173 4.846 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1=O ZINC001360031035 1064832650 /nfs/dbraw/zinc/83/26/50/1064832650.db2.gz VBOXNTTVLIGEHY-SLYNCCJLSA-N 0 0 495.565 4.995 20 0 JJADRN COCCc1noc(CN(C)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 ZINC001435560761 1064832712 /nfs/dbraw/zinc/83/27/12/1064832712.db2.gz DYSMMFPFALRLDC-UHFFFAOYSA-N 0 0 455.511 4.708 20 0 JJADRN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCC2(F)F)[C@H](C)C1=O ZINC001360031410 1064833661 /nfs/dbraw/zinc/83/36/61/1064833661.db2.gz HDCALIWRQWCYSY-FYYLOGMGSA-N 0 0 487.639 4.972 20 0 JJADRN O=C(c1ccc(F)cc1I)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001435561941 1064833737 /nfs/dbraw/zinc/83/37/37/1064833737.db2.gz LQZZTJVHSOJGSX-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)COc3ccc(Br)cn3)c2C)c1 ZINC001435562872 1064834272 /nfs/dbraw/zinc/83/42/72/1064834272.db2.gz IYQVNBWCXRYAGU-UHFFFAOYSA-N 0 0 457.324 4.758 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1C(F)(F)F ZINC001435563191 1064835379 /nfs/dbraw/zinc/83/53/79/1064835379.db2.gz KJZVZKHKZWPHOQ-RTBURBONSA-N 0 0 456.512 4.935 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC2(C)C)CC1=O ZINC001360033512 1064835883 /nfs/dbraw/zinc/83/58/83/1064835883.db2.gz CJXHOMLHIYYIEC-INIZCTEOSA-N 0 0 480.440 4.515 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2cccs2)CC1=O ZINC001360033665 1064835952 /nfs/dbraw/zinc/83/59/52/1064835952.db2.gz HMZHQQFWXMCSNT-UHFFFAOYSA-N 0 0 495.693 4.763 20 0 JJADRN CCOc1cccc(CNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)c1OC(F)F ZINC001435564824 1064836142 /nfs/dbraw/zinc/83/61/42/1064836142.db2.gz XQNWZOJHZGLMKK-UHFFFAOYSA-N 0 0 455.383 4.821 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cnc(-c3ccccc3)s2)C1 ZINC001435563755 1064836207 /nfs/dbraw/zinc/83/62/07/1064836207.db2.gz PYEKGDGFMYLYNN-YADARESESA-N 0 0 451.548 4.565 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)c2cccs2)[C@@H](C)C1=O ZINC001360033494 1064836263 /nfs/dbraw/zinc/83/62/63/1064836263.db2.gz BRBNIBPGMOGSQU-IBGZPJMESA-N 0 0 499.656 4.729 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CCOCc2ccccc2)cc1 ZINC001435567320 1064837955 /nfs/dbraw/zinc/83/79/55/1064837955.db2.gz NFLREOLOQBZNAT-UHFFFAOYSA-N 0 0 455.558 4.896 20 0 JJADRN COC(=O)[C@H](COC(C)C)N(C)C(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1 ZINC001435568066 1064838848 /nfs/dbraw/zinc/83/88/48/1064838848.db2.gz TYNAITSDTZCSEW-KRWDZBQOSA-N 0 0 458.605 4.506 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@](C)(c3ccccc3)C(F)(F)F)cs2)cc1OC ZINC001435569758 1064839612 /nfs/dbraw/zinc/83/96/12/1064839612.db2.gz LQHXSPUHIVXGTP-NRFANRHFSA-N 0 0 450.482 4.964 20 0 JJADRN 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CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCc1cc(Cl)ccc1Br ZINC001435606478 1064869586 /nfs/dbraw/zinc/86/95/86/1064869586.db2.gz KEPDVIFEDYCIHU-VLIAUNLRSA-N 0 0 457.796 4.551 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCSC2(C)C)n1 ZINC001360048725 1064869891 /nfs/dbraw/zinc/86/98/91/1064869891.db2.gz HUVDLUCKEMWHHA-PKOBYXMFSA-N 0 0 485.658 4.625 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CC2CC3(C2)CCOCC3)n1 ZINC001360048978 1064869909 /nfs/dbraw/zinc/86/99/09/1064869909.db2.gz LSYWGVRGSIFYJN-SFHVURJKSA-N 0 0 474.650 4.535 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)C2CC2)nc1C ZINC001360048954 1064870040 /nfs/dbraw/zinc/87/00/40/1064870040.db2.gz OHPLKNZTBRZCNG-UHFFFAOYSA-N 0 0 452.580 4.802 20 0 JJADRN C[C@@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608639 1064871708 /nfs/dbraw/zinc/87/17/08/1064871708.db2.gz KQXXBSHWQFBHQJ-NFQMXDRXSA-N 0 0 459.590 4.870 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608111 1064871812 /nfs/dbraw/zinc/87/18/12/1064871812.db2.gz KCQCCOMCNPPWHK-OYHNWAKOSA-N 0 0 450.348 4.572 20 0 JJADRN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001360049675 1064872851 /nfs/dbraw/zinc/87/28/51/1064872851.db2.gz ZLUJDMYHZLBALQ-FQEVSTJZSA-N 0 0 457.361 4.561 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)[C@@H]2COc3ccc(Br)cc32)C(F)(F)F)cc1 ZINC001435609267 1064873166 /nfs/dbraw/zinc/87/31/66/1064873166.db2.gz NGAZJTOGWIPWIZ-ZBFHGGJFSA-N 0 0 459.214 4.559 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435610092 1064873753 /nfs/dbraw/zinc/87/37/53/1064873753.db2.gz NIIBUFUPJJDOHI-QVKFZJNVSA-N 0 0 456.530 4.622 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)cc1Cl ZINC001435610858 1064874439 /nfs/dbraw/zinc/87/44/39/1064874439.db2.gz WQCZDDJCSNJJPY-UHFFFAOYSA-N 0 0 452.866 4.854 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cc1Cl ZINC001435610863 1064874517 /nfs/dbraw/zinc/87/45/17/1064874517.db2.gz WTGGTKDDUBBHCQ-UHFFFAOYSA-N 0 0 453.926 4.517 20 0 JJADRN CC(C)COc1cccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cnc(C(C)C)nc2)c1 ZINC001360050320 1064875188 /nfs/dbraw/zinc/87/51/88/1064875188.db2.gz OVCZYDWSFWXJFX-UHFFFAOYSA-N 0 0 471.609 4.973 20 0 JJADRN O=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001435611987 1064875295 /nfs/dbraw/zinc/87/52/95/1064875295.db2.gz DUIKBCSRRBOUDQ-SIKLNZKXSA-N 0 0 456.468 4.564 20 0 JJADRN CC(C)COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 ZINC001360050597 1064875919 /nfs/dbraw/zinc/87/59/19/1064875919.db2.gz XJDAACMTNXQUAE-UXHICEINSA-N 0 0 451.640 4.677 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@@H](C)C2)c1 ZINC001360050653 1064876656 /nfs/dbraw/zinc/87/66/56/1064876656.db2.gz YTPNTQLFPXBENM-HXUWFJFHSA-N 0 0 462.598 4.635 20 0 JJADRN CC(C)COc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C)C2)cc1 ZINC001360050636 1064876690 /nfs/dbraw/zinc/87/66/90/1064876690.db2.gz YGPBRJZNCJZDTE-REWPJTCUSA-N 0 0 499.656 4.658 20 0 JJADRN Cc1cc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)ccc1C(=O)NC(C)C ZINC001360050823 1064876810 /nfs/dbraw/zinc/87/68/10/1064876810.db2.gz DFCHGZLYIHWHLR-NRFANRHFSA-N 0 0 458.400 4.671 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccn(CC(F)(F)F)n3)c3ccccc3n2)cc1OC ZINC001435613291 1064876865 /nfs/dbraw/zinc/87/68/65/1064876865.db2.gz SIYAIJJKCNAFQE-UHFFFAOYSA-N 0 0 456.424 4.930 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c(C)c1 ZINC001360051093 1064877254 /nfs/dbraw/zinc/87/72/54/1064877254.db2.gz DDBCXMMPTOHPRE-MOPGFXCFSA-N 0 0 453.583 4.831 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1 ZINC001360050985 1064877432 /nfs/dbraw/zinc/87/74/32/1064877432.db2.gz BPPQHUBCYCXAOP-QZTJIDSGSA-N 0 0 455.555 4.648 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360050916 1064877490 /nfs/dbraw/zinc/87/74/90/1064877490.db2.gz AERLDMREFHKUOR-QZTJIDSGSA-N 0 0 457.546 4.565 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)O[C@H](C)c3ccc4c(c3)CCCC4)n2)CCCCCC1 ZINC001435616086 1064878453 /nfs/dbraw/zinc/87/84/53/1064878453.db2.gz DQAUJDKICUDNRH-GOSISDBHSA-N 0 0 453.583 4.871 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360051834 1064879499 /nfs/dbraw/zinc/87/94/99/1064879499.db2.gz HFHQXXJZIQYQST-OAQYLSRUSA-N 0 0 494.640 4.850 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc(C)c1I ZINC001435617272 1064879668 /nfs/dbraw/zinc/87/96/68/1064879668.db2.gz FCQQYLXICBUEPV-GOSISDBHSA-N 0 0 458.727 4.626 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001435617234 1064879856 /nfs/dbraw/zinc/87/98/56/1064879856.db2.gz DRYZOENKJVZOBV-HXUWFJFHSA-N 0 0 451.748 4.637 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)COc1ccccc1C(F)(F)F ZINC001435617856 1064880549 /nfs/dbraw/zinc/88/05/49/1064880549.db2.gz UJLYRPRJIPLGGU-UHFFFAOYSA-N 0 0 459.424 4.747 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001435617852 1064880799 /nfs/dbraw/zinc/88/07/99/1064880799.db2.gz UHHSNJNLFRXGIS-FOCLMDBBSA-N 0 0 456.542 4.760 20 0 JJADRN CC(C)COc1ccccc1Cn1c(C(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360052417 1064880706 /nfs/dbraw/zinc/88/07/06/1064880706.db2.gz NAYIBNQGTZFJGF-NRFANRHFSA-N 0 0 469.674 4.862 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cc(Br)oc2C)c1Cl ZINC001435618811 1064881189 /nfs/dbraw/zinc/88/11/89/1064881189.db2.gz BQDATELOYLONIH-UHFFFAOYSA-N 0 0 451.498 4.805 20 0 JJADRN CC(C)COc1cccc(Cn2c(N3CCC(C(=O)NCC(F)(F)F)CC3)nnc2C(C)(C)C)c1 ZINC001360053296 1064881529 /nfs/dbraw/zinc/88/15/29/1064881529.db2.gz YHZIZYJOKRYSEB-UHFFFAOYSA-N 0 0 495.590 4.554 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360052779 1064881603 /nfs/dbraw/zinc/88/16/03/1064881603.db2.gz QOFNVRZYJPXSOC-UHFFFAOYSA-N 0 0 499.541 4.812 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2OC)cc1 ZINC001435619728 1064881926 /nfs/dbraw/zinc/88/19/26/1064881926.db2.gz KKCWNXJTMZGIAR-QGZVFWFLSA-N 0 0 455.532 4.545 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2OC)cc1 ZINC001435619727 1064881991 /nfs/dbraw/zinc/88/19/91/1064881991.db2.gz KKCWNXJTMZGIAR-KRWDZBQOSA-N 0 0 455.532 4.545 20 0 JJADRN CC(C)COc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2C(C)C)c1 ZINC001360053344 1064882049 /nfs/dbraw/zinc/88/20/49/1064882049.db2.gz ZHWDMINMGXWDPP-QFIPXVFZSA-N 0 0 481.666 4.978 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2=O)c(C)c1 ZINC001435620827 1064882676 /nfs/dbraw/zinc/88/26/76/1064882676.db2.gz IXCNPIRBYDEZKU-KRWDZBQOSA-N 0 0 456.468 4.808 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)cc1F ZINC001435620886 1064882932 /nfs/dbraw/zinc/88/29/32/1064882932.db2.gz ZVYUFOCESVRDNV-UHFFFAOYSA-N 0 0 455.452 4.812 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)c1I ZINC001360054510 1064883345 /nfs/dbraw/zinc/88/33/45/1064883345.db2.gz IBVZQZGEGCAASU-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1cnn(-c2cccc(Br)c2)c1 ZINC001435621421 1064883498 /nfs/dbraw/zinc/88/34/98/1064883498.db2.gz RYIQRRQTALMXMO-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)Cc2csc(-c3ccoc3)n2)c1Cl ZINC001435621764 1064883506 /nfs/dbraw/zinc/88/35/06/1064883506.db2.gz OOTKYTQQEGTYRO-UHFFFAOYSA-N 0 0 455.717 4.787 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360054340 1064883452 /nfs/dbraw/zinc/88/34/52/1064883452.db2.gz JPXSQIRULAQULQ-WOJBJXKFSA-N 0 0 481.666 4.835 20 0 JJADRN CN(C)c1cc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)nc2ccccc21 ZINC001360054621 1064883458 /nfs/dbraw/zinc/88/34/58/1064883458.db2.gz OIZBUJGXWHOQRE-UHFFFAOYSA-N 0 0 451.592 4.801 20 0 JJADRN Cc1c(NC(=O)c2nn(-c3ccccc3)cc2Br)cnn1-c1cc(C)ccc1C ZINC001435622808 1064884170 /nfs/dbraw/zinc/88/41/70/1064884170.db2.gz SEYJJTZMOVXLMD-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NC[C@@H](OC)C(F)(F)F)c2nc3ccccc3s2)c1 ZINC001360055356 1064884829 /nfs/dbraw/zinc/88/48/29/1064884829.db2.gz WPFSPUKPJTUKPG-JVVYVMHDSA-N 0 0 450.482 4.929 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NC[C@@H](OC)C(F)(F)F)c2nc3ccccc3s2)c1 ZINC001360055353 1064884847 /nfs/dbraw/zinc/88/48/47/1064884847.db2.gz WPFSPUKPJTUKPG-DQXUBXGMSA-N 0 0 450.482 4.929 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1ccc(C)c(Br)c1 ZINC001435623785 1064885051 /nfs/dbraw/zinc/88/50/51/1064885051.db2.gz CWXRSAJKDSWJDM-GAJHUEQPSA-N 0 0 458.444 4.763 20 0 JJADRN O=C(c1ccc2c(Br)cnn2c1)N(Cc1csc(Br)c1)C1CC1 ZINC001435624464 1064885613 /nfs/dbraw/zinc/88/56/13/1064885613.db2.gz CJUMNGIUQIPQFZ-UHFFFAOYSA-N 0 0 455.175 4.726 20 0 JJADRN CCc1cccnc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC001435624284 1064885620 /nfs/dbraw/zinc/88/56/20/1064885620.db2.gz FQGXTVDXQBVZGF-UHFFFAOYSA-N 0 0 459.575 4.940 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001435624687 1064885659 /nfs/dbraw/zinc/88/56/59/1064885659.db2.gz DKGHVLYQCRMGNI-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2cccc(Cl)c2)cc1 ZINC001435624735 1064885718 /nfs/dbraw/zinc/88/57/18/1064885718.db2.gz BPGIZYKWBIHNQY-VWLOTQADSA-N 0 0 459.933 4.804 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 ZINC001360056126 1064886165 /nfs/dbraw/zinc/88/61/65/1064886165.db2.gz AVUCHFNHQAKDQV-JOCHJYFZSA-N 0 0 455.518 4.535 20 0 JJADRN CCC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC001435625639 1064886253 /nfs/dbraw/zinc/88/62/53/1064886253.db2.gz FZONCFNQFMAUSY-UHFFFAOYSA-N 0 0 451.416 4.895 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1csc(Br)c1)C1CC1)c1ccc(F)cc1F ZINC001435624867 1064886357 /nfs/dbraw/zinc/88/63/57/1064886357.db2.gz FJAPSUNTDQJKLO-KRWDZBQOSA-N 0 0 457.340 4.547 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 ZINC001360056027 1064886407 /nfs/dbraw/zinc/88/64/07/1064886407.db2.gz ZKUCLWKXZQGKSV-UHFFFAOYSA-N 0 0 499.706 4.685 20 0 JJADRN CCc1cccnc1NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 ZINC001435625536 1064886515 /nfs/dbraw/zinc/88/65/15/1064886515.db2.gz NSPKXVKLDQQVHH-UHFFFAOYSA-N 0 0 452.374 4.971 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccco1 ZINC001360056241 1064887194 /nfs/dbraw/zinc/88/71/94/1064887194.db2.gz DAAPDRJSOGVSBZ-WUKNDPDISA-N 0 0 454.523 4.878 20 0 JJADRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001360056775 1064888708 /nfs/dbraw/zinc/88/87/08/1064888708.db2.gz HUZVHWPCZIFIGO-UHFFFAOYSA-N 0 0 456.514 4.943 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627277 1064889059 /nfs/dbraw/zinc/88/90/59/1064889059.db2.gz XPKPLPHZDVLUGW-ZBLYBZFDSA-N 0 0 458.606 4.737 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626922 1064889177 /nfs/dbraw/zinc/88/91/77/1064889177.db2.gz VWMNQSIPJLPTNP-KBXCAEBGSA-N 0 0 450.446 4.895 20 0 JJADRN CC(C)[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1nc(-c2ccncc2)no1 ZINC001360057069 1064889425 /nfs/dbraw/zinc/88/94/25/1064889425.db2.gz LJOYDKYWWRWBQZ-HNNXBMFYSA-N 0 0 453.699 4.814 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)C1 ZINC001360057163 1064890137 /nfs/dbraw/zinc/89/01/37/1064890137.db2.gz INAQXPUWZNHPML-MRXNPFEDSA-N 0 0 451.384 4.898 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)s1 ZINC001435628602 1064890277 /nfs/dbraw/zinc/89/02/77/1064890277.db2.gz FYRVZXDVIUDPOU-UHFFFAOYSA-N 0 0 452.319 4.995 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC001360057106 1064890312 /nfs/dbraw/zinc/89/03/12/1064890312.db2.gz MBRRUHUHBXWQBC-UHFFFAOYSA-N 0 0 458.312 4.843 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1nc(-c2ccncc2)no1 ZINC001360057070 1064890334 /nfs/dbraw/zinc/89/03/34/1064890334.db2.gz LJOYDKYWWRWBQZ-OAHLLOKOSA-N 0 0 453.699 4.814 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CSCCS2)C1 ZINC001360057497 1064890895 /nfs/dbraw/zinc/89/08/95/1064890895.db2.gz LTGATXJCAIUMJA-OALUTQOASA-N 0 0 453.077 4.698 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C1 ZINC001360057433 1064891036 /nfs/dbraw/zinc/89/10/36/1064891036.db2.gz LDOTWPOKBNTOMC-SJLPKXTDSA-N 0 0 453.414 4.930 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001360057498 1064891077 /nfs/dbraw/zinc/89/10/77/1064891077.db2.gz LTGATXJCAIUMJA-RBUKOAKNSA-N 0 0 453.077 4.698 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCS2)C1 ZINC001360057762 1064891702 /nfs/dbraw/zinc/89/17/02/1064891702.db2.gz NMZLKKQISMRTCP-MSOLQXFVSA-N 0 0 482.492 4.583 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 ZINC001435630865 1064891856 /nfs/dbraw/zinc/89/18/56/1064891856.db2.gz DPGJFIVDTWYMNR-UHFFFAOYSA-N 0 0 455.555 4.613 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCCO2)C1 ZINC001360057996 1064892328 /nfs/dbraw/zinc/89/23/28/1064892328.db2.gz OTWFXPCXANSFCW-IAGOWNOFSA-N 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20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Br)c4ccccc34)CC(=O)N2C)cc1 ZINC001435694211 1064941464 /nfs/dbraw/zinc/94/14/64/1064941464.db2.gz XCYYWDUVKKGRDS-AVRDEDQJSA-N 0 0 453.336 4.769 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccs2)CC1 ZINC001360082611 1064942075 /nfs/dbraw/zinc/94/20/75/1064942075.db2.gz HLIMFLDOLIUGOW-UHFFFAOYSA-N 0 0 463.076 4.771 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360082487 1064942139 /nfs/dbraw/zinc/94/21/39/1064942139.db2.gz CFCOPIDUBYBUEM-IBGZPJMESA-N 0 0 459.660 4.780 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001435696477 1064942744 /nfs/dbraw/zinc/94/27/44/1064942744.db2.gz WCDDWMQDHBXQAS-UHFFFAOYSA-N 0 0 453.526 4.838 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC001435696231 1064942817 /nfs/dbraw/zinc/94/28/17/1064942817.db2.gz DKGRUVSVWDCWHC-UHFFFAOYSA-N 0 0 459.120 4.541 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nc(-c2cccs2)ns1 ZINC001435695996 1064942835 /nfs/dbraw/zinc/94/28/35/1064942835.db2.gz CZQMYFSQJYEJMG-HXUWFJFHSA-N 0 0 450.589 4.742 20 0 JJADRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001435696346 1064942843 /nfs/dbraw/zinc/94/28/43/1064942843.db2.gz KMDLHTYYJYPXPV-UHFFFAOYSA-N 0 0 453.452 4.733 20 0 JJADRN CC(C)CSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360082743 1064942990 /nfs/dbraw/zinc/94/29/90/1064942990.db2.gz LHFJAYIFVCLGKH-UHFFFAOYSA-N 0 0 455.653 4.890 20 0 JJADRN COc1cc(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc(OC)c1Br ZINC001435696896 1064943496 /nfs/dbraw/zinc/94/34/96/1064943496.db2.gz KRFJUCDDIXLGAH-UHFFFAOYSA-N 0 0 455.299 4.987 20 0 JJADRN COc1cc(NC(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)cc(OC)c1C(C)C ZINC001435696849 1064943519 /nfs/dbraw/zinc/94/35/19/1064943519.db2.gz KFIGFGQFGWARSC-INIZCTEOSA-N 0 0 457.596 4.578 20 0 JJADRN CC(C)CSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001360082887 1064943499 /nfs/dbraw/zinc/94/34/99/1064943499.db2.gz OXIUMIPQHAIHLP-OAQYLSRUSA-N 0 0 458.031 4.961 20 0 JJADRN CC(C)CSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360083001 1064943996 /nfs/dbraw/zinc/94/39/96/1064943996.db2.gz SVIAGOMGQVCEIC-UHFFFAOYSA-N 0 0 494.709 4.966 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001435698690 1064944456 /nfs/dbraw/zinc/94/44/56/1064944456.db2.gz DLOOGBYQCUYMOH-LEOXJPRUSA-N 0 0 450.579 4.876 20 0 JJADRN CO[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1Br ZINC001435698783 1064945182 /nfs/dbraw/zinc/94/51/82/1064945182.db2.gz GEWXHRYIDHKMTM-SGTLLEGYSA-N 0 0 458.183 4.839 20 0 JJADRN CCc1c(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435699598 1064945670 /nfs/dbraw/zinc/94/56/70/1064945670.db2.gz BTKVMKCGVAUNHC-UHFFFAOYSA-N 0 0 458.566 4.980 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC001435699323 1064945725 /nfs/dbraw/zinc/94/57/25/1064945725.db2.gz JPGUXAMCINBAOA-QGZVFWFLSA-N 0 0 456.757 4.612 20 0 JJADRN CC(C)CSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(F)cccc1Cl ZINC001360083880 1064945866 /nfs/dbraw/zinc/94/58/66/1064945866.db2.gz UUKCNDJEQIQDAA-UHFFFAOYSA-N 0 0 480.009 4.824 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001360083888 1064945886 /nfs/dbraw/zinc/94/58/86/1064945886.db2.gz AJRAAONIKWDTOH-PMGBHYCQSA-N 0 0 459.736 4.868 20 0 JJADRN Cc1csc(SCc2c3ccccc3oc2C(=O)NCCNC(=O)c2cccs2)n1 ZINC001435700372 1064946343 /nfs/dbraw/zinc/94/63/43/1064946343.db2.gz GRFIYJCUVZMOPI-UHFFFAOYSA-N 0 0 457.602 4.711 20 0 JJADRN CC(C)CSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360084096 1064946546 /nfs/dbraw/zinc/94/65/46/1064946546.db2.gz ZGXIQMAHZWTPBN-SFHVURJKSA-N 0 0 451.681 4.771 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)CS3)[C@H]2CCCC[C@H]2C)cc1OC ZINC001435702126 1064946914 /nfs/dbraw/zinc/94/69/14/1064946914.db2.gz RWFQTJABMOBCIF-UZLBHIALSA-N 0 0 454.592 4.969 20 0 JJADRN CC[C@H]1CC[C@@H](C)N1C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001435703179 1064947584 /nfs/dbraw/zinc/94/75/84/1064947584.db2.gz USXHORPPSNFLRB-RTWAWAEBSA-N 0 0 458.624 4.687 20 0 JJADRN CC(C)CSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001360085466 1064947755 /nfs/dbraw/zinc/94/77/55/1064947755.db2.gz AYGZFBVZJYLVTK-UHFFFAOYSA-N 0 0 497.688 4.637 20 0 JJADRN CC(C)CSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCSC1 ZINC001360085437 1064947765 /nfs/dbraw/zinc/94/77/65/1064947765.db2.gz ACLTYNFRXDLBFV-IBGZPJMESA-N 0 0 483.748 4.724 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001435704341 1064947991 /nfs/dbraw/zinc/94/79/91/1064947991.db2.gz ABOUGUNLVWSNLX-SFHVURJKSA-N 0 0 458.274 4.710 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)co1 ZINC001435703312 1064948007 /nfs/dbraw/zinc/94/80/07/1064948007.db2.gz VCVJCGOFBJYBJI-ZQMJAJRESA-N 0 0 451.350 4.950 20 0 JJADRN CC(C)CSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360085580 1064948082 /nfs/dbraw/zinc/94/80/82/1064948082.db2.gz DDVZWFKKZSKXHF-PXDATVDWSA-N 0 0 474.671 4.821 20 0 JJADRN CC(C)CSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360085742 1064948097 /nfs/dbraw/zinc/94/80/97/1064948097.db2.gz IKUQCDMZTDESFF-UHFFFAOYSA-N 0 0 478.106 4.872 20 0 JJADRN CC(C)CSCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001360085626 1064948203 /nfs/dbraw/zinc/94/82/03/1064948203.db2.gz FSBPYTMIHCMZKR-UHFFFAOYSA-N 0 0 463.717 4.670 20 0 JJADRN CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001360085808 1064948749 /nfs/dbraw/zinc/94/87/49/1064948749.db2.gz JDSWKLKKRKCSDD-HSZRJFAPSA-N 0 0 450.599 4.543 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 ZINC001360085834 1064948870 /nfs/dbraw/zinc/94/88/70/1064948870.db2.gz JUKKVURYKBLOQN-GPJFCIFZSA-N 0 0 483.698 4.966 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cn(-c2ccc(Br)cc2)cn1 ZINC001435707464 1064949170 /nfs/dbraw/zinc/94/91/70/1064949170.db2.gz KEXCZTUTYRCSQZ-GOSISDBHSA-N 0 0 452.274 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)C1 ZINC001435706740 1064949183 /nfs/dbraw/zinc/94/91/83/1064949183.db2.gz HRVAFUQVHUSFMJ-CVEARBPZSA-N 0 0 450.448 4.559 20 0 JJADRN CC(C)CSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1 ZINC001360086144 1064949256 /nfs/dbraw/zinc/94/92/56/1064949256.db2.gz QYMMLDKBKCJYSM-LEWJYISDSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)CSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1 ZINC001360086145 1064949282 /nfs/dbraw/zinc/94/92/82/1064949282.db2.gz QYMMLDKBKCJYSM-NHCUHLMSSA-N 0 0 493.718 4.745 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001435708293 1064949544 /nfs/dbraw/zinc/94/95/44/1064949544.db2.gz MXDCMIQXBAIFRA-GDBMZVCRSA-N 0 0 455.274 4.555 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001435708296 1064949826 /nfs/dbraw/zinc/94/98/26/1064949826.db2.gz MXDCMIQXBAIFRA-GOEBONIOSA-N 0 0 455.274 4.555 20 0 JJADRN CNC(=O)COc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)cc1OC ZINC001435710456 1064950802 /nfs/dbraw/zinc/95/08/02/1064950802.db2.gz IVZORILXXWTOSH-CQSZACIVSA-N 0 0 458.967 4.693 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC001435712480 1064951295 /nfs/dbraw/zinc/95/12/95/1064951295.db2.gz YOTKWKHAQIGWLY-KRWDZBQOSA-N 0 0 451.419 4.958 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cccc(OC(F)(F)F)c3)cc2C1 ZINC001435711964 1064951434 /nfs/dbraw/zinc/95/14/34/1064951434.db2.gz RCDBJMYPOHUGOA-OAHLLOKOSA-N 0 0 451.445 4.615 20 0 JJADRN CC(C)CSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001360087457 1064952100 /nfs/dbraw/zinc/95/21/00/1064952100.db2.gz STEGYMVLVKVLOB-MBSDFSHPSA-N 0 0 497.130 4.997 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360087499 1064952113 /nfs/dbraw/zinc/95/21/13/1064952113.db2.gz UELPLSBUKDIULD-IBGZPJMESA-N 0 0 493.603 4.710 20 0 JJADRN CC(C)COc1ccc(CC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001435715421 1064952339 /nfs/dbraw/zinc/95/23/39/1064952339.db2.gz SDVGUZNTJPYTMR-HXUWFJFHSA-N 0 0 453.583 4.680 20 0 JJADRN CCCc1cnc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)s1 ZINC001435715442 1064952392 /nfs/dbraw/zinc/95/23/92/1064952392.db2.gz SOULOODEPYIXPR-CQSZACIVSA-N 0 0 459.568 4.627 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)CSc3ccc4c(c3)CCC4)cc2C1 ZINC001435715808 1064952607 /nfs/dbraw/zinc/95/26/07/1064952607.db2.gz XJDHDPANKDSJRF-LJQANCHMSA-N 0 0 453.608 4.683 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccn2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001360087518 1064952558 /nfs/dbraw/zinc/95/25/58/1064952558.db2.gz UJAZXIXHYOCWBJ-UHFFFAOYSA-N 0 0 486.483 4.978 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC001435716186 1064952928 /nfs/dbraw/zinc/95/29/28/1064952928.db2.gz XGVDUUHDHHEADV-QGZVFWFLSA-N 0 0 458.839 4.577 20 0 JJADRN CC(C)CSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001360087707 1064953085 /nfs/dbraw/zinc/95/30/85/1064953085.db2.gz 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0 0 454.311 4.914 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001435785219 1064990822 /nfs/dbraw/zinc/99/08/22/1064990822.db2.gz UANJYQJNVOYGIB-HNNXBMFYSA-N 0 0 457.937 4.556 20 0 JJADRN COCCCS(=O)(=O)c1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1 ZINC001435784518 1064990871 /nfs/dbraw/zinc/99/08/71/1064990871.db2.gz NTENKMLWQJPQLM-IBGZPJMESA-N 0 0 453.560 4.889 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC001360109288 1064990949 /nfs/dbraw/zinc/99/09/49/1064990949.db2.gz ZORYWZYFFWRLDA-DHIUTWEWSA-N 0 0 452.530 4.624 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001435787389 1064991374 /nfs/dbraw/zinc/99/13/74/1064991374.db2.gz MAZNMKSXXPOZFO-OAHLLOKOSA-N 0 0 450.505 4.734 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001435787383 1064991418 /nfs/dbraw/zinc/99/14/18/1064991418.db2.gz MAZNMKSXXPOZFO-HNNXBMFYSA-N 0 0 450.505 4.734 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(OC(F)F)c1 ZINC001435788331 1064992149 /nfs/dbraw/zinc/99/21/49/1064992149.db2.gz GGELJQRMVCXBJE-FZKQIMNGSA-N 0 0 453.869 4.859 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001360111238 1064992365 /nfs/dbraw/zinc/99/23/65/1064992365.db2.gz DIHRDNUUKSMWAX-DEOSSOPVSA-N 0 0 459.993 4.501 20 0 JJADRN CC(C)(C(=O)O[C@H]1CCc2cc(Cl)ccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC001435790239 1064992594 /nfs/dbraw/zinc/99/25/94/1064992594.db2.gz JLYFEDVHTPTVFE-KRWDZBQOSA-N 0 0 457.773 4.886 20 0 JJADRN CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](c1csc3ccccc13)C(F)(F)F)C2=O ZINC001435790981 1064992614 /nfs/dbraw/zinc/99/26/14/1064992614.db2.gz BANJMJIOTPOALQ-YTUHDDQASA-N 0 0 454.470 4.549 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001360111636 1064992959 /nfs/dbraw/zinc/99/29/59/1064992959.db2.gz SHAPGORPFHUQBV-UHFFFAOYSA-N 0 0 455.480 4.876 20 0 JJADRN C[C@@H](OC(=O)c1cnn(C(C)(C)C)c1I)c1cccc(Cl)c1F ZINC001435792894 1064992876 /nfs/dbraw/zinc/99/28/76/1064992876.db2.gz NBRQRXGDPVBRCG-SECBINFHSA-N 0 0 450.679 4.953 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001360111656 1064993327 /nfs/dbraw/zinc/99/33/27/1064993327.db2.gz SZWCDDKQYGEKLY-LFIBNONCSA-N 0 0 457.498 4.989 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2Br)no1 ZINC001435793824 1064993605 /nfs/dbraw/zinc/99/36/05/1064993605.db2.gz CXNZALCABLCPIA-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001435793618 1064993624 /nfs/dbraw/zinc/99/36/24/1064993624.db2.gz IOMNEROBCIUZNA-OCCSQVGLSA-N 0 0 452.223 4.990 20 0 JJADRN O=C(CCOc1ccc(F)c(Cl)c1)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001435793293 1064993693 /nfs/dbraw/zinc/99/36/93/1064993693.db2.gz YVNBZIZOOSXSFD-UHFFFAOYSA-N 0 0 455.235 4.901 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1 ZINC001435795124 1064994172 /nfs/dbraw/zinc/99/41/72/1064994172.db2.gz PEUQJOVXDYOODA-UHFFFAOYSA-N 0 0 450.276 4.902 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H](C)c1ccccc1 ZINC001435796348 1064995167 /nfs/dbraw/zinc/99/51/67/1064995167.db2.gz NFMYGKKVGMGKMW-ZDUSSCGKSA-N 0 0 456.283 4.817 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001435796988 1064995301 /nfs/dbraw/zinc/99/53/01/1064995301.db2.gz AZONCKMBBVOUGQ-GFCCVEGCSA-N 0 0 452.711 4.744 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCCCC1 ZINC001360113555 1064995715 /nfs/dbraw/zinc/99/57/15/1064995715.db2.gz GPOQIUJZYAERBK-UHFFFAOYSA-N 0 0 471.621 4.808 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1c(Cl)nccc1C(F)(F)F ZINC001435798852 1064996350 /nfs/dbraw/zinc/99/63/50/1064996350.db2.gz YHTRMHXTNGDCDZ-UHFFFAOYSA-N 0 0 451.619 4.998 20 0 JJADRN O=C(NC1(c2noc(CC3CCCC3)n2)CCCCCC1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001435799186 1064996382 /nfs/dbraw/zinc/99/63/82/1064996382.db2.gz ZVXWNOLEQVIODH-SFHVURJKSA-N 0 0 456.553 4.742 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 ZINC001435798915 1064996492 /nfs/dbraw/zinc/99/64/92/1064996492.db2.gz OMFQMUNPZQQTFX-IRXDYDNUSA-N 0 0 451.954 4.761 20 0 JJADRN C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC001435799278 1064997149 /nfs/dbraw/zinc/99/71/49/1064997149.db2.gz UXSFSNXYLTVFAU-OAHLLOKOSA-N 0 0 451.013 4.513 20 0 JJADRN CC(C)Cc1ccc(CCCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc1 ZINC001435800605 1064997519 /nfs/dbraw/zinc/99/75/19/1064997519.db2.gz KPRBSRMFXSYYMU-HSZRJFAPSA-N 0 0 457.412 4.670 20 0 JJADRN CN(CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)OCc1ccccc1 ZINC001435800852 1064997705 /nfs/dbraw/zinc/99/77/05/1064997705.db2.gz OKUKFBIRBJXQER-HSZRJFAPSA-N 0 0 451.954 4.794 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](C)CSc3ccccc32)c1 ZINC001435800463 1064997781 /nfs/dbraw/zinc/99/77/81/1064997781.db2.gz JUFGRUBEUPEXDV-FXAWDEMLSA-N 0 0 456.608 4.906 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1ccc(OC2CCOCC2)cc1 ZINC001435800977 1064998274 /nfs/dbraw/zinc/99/82/74/1064998274.db2.gz RPVPYGBPJNVLDX-UHFFFAOYSA-N 0 0 458.274 4.956 20 0 JJADRN C[C@H](NC(=O)CCC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 ZINC001435801058 1064998283 /nfs/dbraw/zinc/99/82/83/1064998283.db2.gz SPTDZSTXWUFCJA-ZDUSSCGKSA-N 0 0 457.290 4.742 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCSC1 ZINC001360115659 1064998410 /nfs/dbraw/zinc/99/84/10/1064998410.db2.gz FSXNEAFZAKCQQT-GOSISDBHSA-N 0 0 473.643 4.577 20 0 JJADRN O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001435802690 1065000114 /nfs/dbraw/zinc/00/01/14/1065000114.db2.gz HRFBSGHPXQNNOX-UHFFFAOYSA-N 0 0 451.954 4.887 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c(C)cc1Br ZINC001435803204 1065000127 /nfs/dbraw/zinc/00/01/27/1065000127.db2.gz XGELKNXQXAWHSB-UHFFFAOYSA-N 0 0 454.324 4.731 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CCOC(C)(C)C ZINC001360116229 1065000312 /nfs/dbraw/zinc/00/03/12/1065000312.db2.gz YGOZHJIRYCUGCS-UHFFFAOYSA-N 0 0 473.618 4.639 20 0 JJADRN O=C(c1cc(Br)c(F)cc1F)N(CCCOc1ccccc1)C1CCOCC1 ZINC001435803994 1065000685 /nfs/dbraw/zinc/00/06/85/1065000685.db2.gz WZICUFNDEKOVFT-UHFFFAOYSA-N 0 0 454.311 4.818 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1OC ZINC001435804419 1065001150 /nfs/dbraw/zinc/00/11/50/1065001150.db2.gz BCZWGFMCHCXOEJ-UHFFFAOYSA-N 0 0 452.776 4.982 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC1CCCCC1 ZINC001360116606 1065001397 /nfs/dbraw/zinc/00/13/97/1065001397.db2.gz KCYPTGRREVKUTG-OAQYLSRUSA-N 0 0 471.621 4.565 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CCN1C(=O)OC(C)(C)C ZINC001435805288 1065001590 /nfs/dbraw/zinc/00/15/90/1065001590.db2.gz DCIDWDYNXOIDQE-WSTZPKSXSA-N 0 0 451.007 4.993 20 0 JJADRN CSc1ncc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1-c1ccc(F)cc1 ZINC001435807532 1065002417 /nfs/dbraw/zinc/00/24/17/1065002417.db2.gz XXXOXQMDXBSWRW-UHFFFAOYSA-N 0 0 458.534 4.752 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)[C@H]1c1cccnc1 ZINC001435808112 1065002540 /nfs/dbraw/zinc/00/25/40/1065002540.db2.gz MTOKLFMHAHACSU-WMZHIEFXSA-N 0 0 480.927 4.675 20 0 JJADRN Cc1ccc([C@@H](CC(F)(F)F)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC001435808134 1065002566 /nfs/dbraw/zinc/00/25/66/1065002566.db2.gz MUGXMRTVJYIJJP-HXUWFJFHSA-N 0 0 454.439 4.935 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001435808909 1065003228 /nfs/dbraw/zinc/00/32/28/1065003228.db2.gz QIDSMTLVEQTIIT-XOBRGWDASA-N 0 0 453.414 4.504 20 0 JJADRN COc1cnc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 ZINC001360117891 1065003408 /nfs/dbraw/zinc/00/34/08/1065003408.db2.gz ANWUDZWKVGKBQT-QFIPXVFZSA-N 0 0 454.546 4.558 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cnn1-c1cccc(F)c1 ZINC001360118318 1065003900 /nfs/dbraw/zinc/00/39/00/1065003900.db2.gz JZTBSJFBTBYIOW-XMMPIXPASA-N 0 0 454.590 4.607 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccoc1 ZINC001360118260 1065003932 /nfs/dbraw/zinc/00/39/32/1065003932.db2.gz FHQDWMNOIBTZES-UHFFFAOYSA-N 0 0 453.930 4.511 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)nc2)c1 ZINC001360118528 1065004469 /nfs/dbraw/zinc/00/44/69/1065004469.db2.gz MUTXKEWRFWKIQO-RUZDIDTESA-N 0 0 451.567 4.526 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC[S@@](=O)C(C)(C)C ZINC001360118706 1065005056 /nfs/dbraw/zinc/00/50/56/1065005056.db2.gz OXLVLMIXKXMENW-GDLZYMKVSA-N 0 0 482.448 4.591 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 ZINC001435812545 1065004977 /nfs/dbraw/zinc/00/49/77/1065004977.db2.gz CCPBDAVRBLVEEL-UHFFFAOYSA-N 0 0 454.368 4.503 20 0 JJADRN COc1c(F)nccc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001360118801 1065005307 /nfs/dbraw/zinc/00/53/07/1065005307.db2.gz PFIHIPFGTQMHSG-OAQYLSRUSA-N 0 0 454.546 4.558 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360118781 1065005318 /nfs/dbraw/zinc/00/53/18/1065005318.db2.gz QMELEVOHUFSKOY-MRXNPFEDSA-N 0 0 474.993 4.915 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc(Br)c2)n1CCOCC(F)F ZINC001360119163 1065005776 /nfs/dbraw/zinc/00/57/76/1065005776.db2.gz YHIJZKRWZJPNHJ-UHFFFAOYSA-N 0 0 469.330 4.997 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)n1 ZINC001435814572 1065006164 /nfs/dbraw/zinc/00/61/64/1065006164.db2.gz QUTCDJWXNGGGMX-AWEZNQCLSA-N 0 0 459.413 4.615 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCCCO1 ZINC001360119226 1065006532 /nfs/dbraw/zinc/00/65/32/1065006532.db2.gz ZJBHOVMUBHRPDH-NRFANRHFSA-N 0 0 485.629 4.783 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC001435815631 1065006630 /nfs/dbraw/zinc/00/66/30/1065006630.db2.gz WRFMEDPAYZSFKY-IBVKSMDESA-N 0 0 454.542 4.811 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Br ZINC001360119780 1065006789 /nfs/dbraw/zinc/00/67/89/1065006789.db2.gz LICDTBHMYVAFJP-GOSISDBHSA-N 0 0 459.388 4.991 20 0 JJADRN Cc1cc(C)cc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1 ZINC001360119344 1065006893 /nfs/dbraw/zinc/00/68/93/1065006893.db2.gz YBPHCTQHOGNOQY-JOCHJYFZSA-N 0 0 456.652 4.815 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360119607 1065006928 /nfs/dbraw/zinc/00/69/28/1065006928.db2.gz GZKGBIRHZQRGRL-HXUWFJFHSA-N 0 0 480.613 4.995 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001435816321 1065007085 /nfs/dbraw/zinc/00/70/85/1065007085.db2.gz CMCYEWJROBEODY-LJQANCHMSA-N 0 0 456.464 4.815 20 0 JJADRN CC(C)n1ncc2c1[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)CCC2 ZINC001435815872 1065007215 /nfs/dbraw/zinc/00/72/15/1065007215.db2.gz ZAKCNMWYVVXAST-DNVJHFABSA-N 0 0 466.626 4.683 20 0 JJADRN O=C(O[C@@H]1CCOc2cc(Cl)cc(Cl)c21)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001435817428 1065007622 /nfs/dbraw/zinc/00/76/22/1065007622.db2.gz RVCXAIRPWVQQMZ-CYBMUJFWSA-N 0 0 459.211 4.669 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360120414 1065007654 /nfs/dbraw/zinc/00/76/54/1065007654.db2.gz HBHICXHVSXRJCJ-DNVCBOLYSA-N 0 0 455.860 4.727 20 0 JJADRN CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)CC2)cc1 ZINC001435817791 1065008035 /nfs/dbraw/zinc/00/80/35/1065008035.db2.gz MSXDNKAHTKJPGG-FQEVSTJZSA-N 0 0 458.524 4.952 20 0 JJADRN Cn1c(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc2cc(Br)cnc21 ZINC001435819909 1065008521 /nfs/dbraw/zinc/00/85/21/1065008521.db2.gz YHYMGYMUPYWYTJ-CYBMUJFWSA-N 0 0 452.274 4.984 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cnc(SC)n2-c2ccccc2)cc1OC ZINC001360120779 1065008771 /nfs/dbraw/zinc/00/87/71/1065008771.db2.gz QIGGBTBUQPCLRF-UHFFFAOYSA-N 0 0 453.608 4.952 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360121278 1065009256 /nfs/dbraw/zinc/00/92/56/1065009256.db2.gz MXQIGVBJMWPBFD-UHFFFAOYSA-N 0 0 472.684 4.793 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Cl)c1 ZINC001360121124 1065009314 /nfs/dbraw/zinc/00/93/14/1065009314.db2.gz LAVWYJTUPAZSBK-UHFFFAOYSA-N 0 0 469.998 4.979 20 0 JJADRN Cn1ccc([C@@H](NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ccc(Cl)cc2)n1 ZINC001435821650 1065009493 /nfs/dbraw/zinc/00/94/93/1065009493.db2.gz AUTVSIJWMAVZTG-FQEVSTJZSA-N 0 0 459.859 4.797 20 0 JJADRN CC(C)(C)c1cc(C(=O)Oc2ccc(I)c(Br)c2)no1 ZINC001435837984 1065009893 /nfs/dbraw/zinc/00/98/93/1065009893.db2.gz XDKGLGOQDRUYGW-UHFFFAOYSA-N 0 0 450.070 4.558 20 0 JJADRN CC1CCC(N2C[C@@H](C(=O)N3CCC[C@H]3c3cc(F)cc(Br)c3)CC2=O)CC1 ZINC001435822915 1065009908 /nfs/dbraw/zinc/00/99/08/1065009908.db2.gz WYVGTIKHXKZYRG-NMTLOXQSSA-N 0 0 451.380 4.679 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cc2cc(Br)ccc2[nH]1 ZINC001435822933 1065009979 /nfs/dbraw/zinc/00/99/79/1065009979.db2.gz WELYSWPVXHQRSZ-UHFFFAOYSA-N 0 0 457.303 4.759 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001435823222 1065010321 /nfs/dbraw/zinc/01/03/21/1065010321.db2.gz YYQCGLMDSQKMGZ-FGZHOGPDSA-N 0 0 459.359 4.788 20 0 JJADRN Cn1ccc([C@H](NC(=O)c2cc3c(Br)cccc3cn2)c2ccc(Cl)cc2)n1 ZINC001435823264 1065010333 /nfs/dbraw/zinc/01/03/33/1065010333.db2.gz NIPBABHTOJUWHH-HXUWFJFHSA-N 0 0 455.743 4.904 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001360122330 1065011224 /nfs/dbraw/zinc/01/12/24/1065011224.db2.gz CKEYNRUIMXYJGU-SFHVURJKSA-N 0 0 473.609 4.606 20 0 JJADRN CCOc1cc(NC2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3C)CC2)ncn1 ZINC001435827218 1065011405 /nfs/dbraw/zinc/01/14/05/1065011405.db2.gz NJVRERORWBGEFH-UHFFFAOYSA-N 0 0 454.615 4.743 20 0 JJADRN C[C@]1(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CCO[C@H]1C1CC1 ZINC001435827487 1065011812 /nfs/dbraw/zinc/01/18/12/1065011812.db2.gz LYUACEIXCHGHLA-NZQKXSOJSA-N 0 0 457.368 4.636 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001435828178 1065011913 /nfs/dbraw/zinc/01/19/13/1065011913.db2.gz RIFWZYFRRCDXGM-IBGZPJMESA-N 0 0 456.539 4.790 20 0 JJADRN C[C@@]1(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CCO[C@H]1C1CC1 ZINC001435827491 1065011923 /nfs/dbraw/zinc/01/19/23/1065011923.db2.gz LYUACEIXCHGHLA-REWPJTCUSA-N 0 0 457.368 4.636 20 0 JJADRN C[C@@]1(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CCO[C@@H]1C1CC1 ZINC001435827489 1065011970 /nfs/dbraw/zinc/01/19/70/1065011970.db2.gz LYUACEIXCHGHLA-OFNKIYASSA-N 0 0 457.368 4.636 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001360122627 1065012309 /nfs/dbraw/zinc/01/23/09/1065012309.db2.gz NHIGFCYZDVTRQW-FQEVSTJZSA-N 0 0 469.630 4.896 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435828918 1065012643 /nfs/dbraw/zinc/01/26/43/1065012643.db2.gz BPIPVJIKVRPAHV-DHLKQENFSA-N 0 0 456.542 4.721 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001360122860 1065012690 /nfs/dbraw/zinc/01/26/90/1065012690.db2.gz SUHHFETZZSMAJG-UHFFFAOYSA-N 0 0 496.862 4.926 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CCc2ccccc2)n1CC(C)(C)N1CCOCC1 ZINC001360122993 1065012749 /nfs/dbraw/zinc/01/27/49/1065012749.db2.gz AZNBNIOXCATBBU-UHFFFAOYSA-N 0 0 467.683 4.651 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001435829318 1065012850 /nfs/dbraw/zinc/01/28/50/1065012850.db2.gz IAJAVNRUTUZEEB-DYESRHJHSA-N 0 0 452.551 4.655 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001435829289 1065013013 /nfs/dbraw/zinc/01/30/13/1065013013.db2.gz HNBOKWPFBHVMBR-XMSQKQJNSA-N 0 0 451.954 4.522 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC001435829320 1065013043 /nfs/dbraw/zinc/01/30/43/1065013043.db2.gz IAJAVNRUTUZEEB-LAUBAEHRSA-N 0 0 452.551 4.655 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCCCC1 ZINC001360123093 1065013352 /nfs/dbraw/zinc/01/33/52/1065013352.db2.gz CBPUMGQIOXDZPI-UHFFFAOYSA-N 0 0 469.630 4.887 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCCc1ccccc1 ZINC001360123329 1065013758 /nfs/dbraw/zinc/01/37/58/1065013758.db2.gz ZVYRQZPUGUKPRC-UHFFFAOYSA-N 0 0 495.052 4.829 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)[nH]c(=O)c2c1C ZINC001435829850 1065013785 /nfs/dbraw/zinc/01/37/85/1065013785.db2.gz BTVFSVWZUXERBB-ZBFHGGJFSA-N 0 0 459.641 4.607 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1ccc2c(c1)CCCC2 ZINC001435830237 1065013833 /nfs/dbraw/zinc/01/38/33/1065013833.db2.gz FPGLBAPVKPKPJK-SLFFLAALSA-N 0 0 454.636 4.723 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)[nH]c(=O)c2c1C ZINC001435829847 1065013875 /nfs/dbraw/zinc/01/38/75/1065013875.db2.gz BTVFSVWZUXERBB-GOEBONIOSA-N 0 0 459.641 4.607 20 0 JJADRN C[C@@H](CC(F)(F)F)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 ZINC001435831868 1065014422 /nfs/dbraw/zinc/01/44/22/1065014422.db2.gz MAFNPNYZLDPDJV-LBPRGKRZSA-N 0 0 456.440 4.762 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360123725 1065014739 /nfs/dbraw/zinc/01/47/39/1065014739.db2.gz LYPOPVIPPXDYLA-RTWAWAEBSA-N 0 0 454.640 4.927 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360123724 1065014812 /nfs/dbraw/zinc/01/48/12/1065014812.db2.gz LYPOPVIPPXDYLA-NHCUHLMSSA-N 0 0 454.640 4.927 20 0 JJADRN CCc1nc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)nn1-c1ccccc1F ZINC001435833836 1065014936 /nfs/dbraw/zinc/01/49/36/1065014936.db2.gz ZNRFPTASICTLFX-UHFFFAOYSA-N 0 0 455.331 4.661 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545893649 1065015298 /nfs/dbraw/zinc/01/52/98/1065015298.db2.gz FFNUDFDDNMDWFY-MRXNPFEDSA-N 0 0 465.564 4.795 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@@H]2CCOc3ccc(CC)cc32)[C@@H]1c1ccc(OC)cc1 ZINC001435834358 1065015327 /nfs/dbraw/zinc/01/53/27/1065015327.db2.gz ZTVZWTYDJCOXHH-ZEVJAHDQSA-N 0 0 450.579 4.587 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@@H]2CCOc3ccc(CC)cc32)[C@H]1c1ccc(OC)cc1 ZINC001435834352 1065015591 /nfs/dbraw/zinc/01/55/91/1065015591.db2.gz ZTVZWTYDJCOXHH-PPJWLVRDSA-N 0 0 450.579 4.587 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCCCc2c(Cl)cccc21 ZINC001435835480 1065015912 /nfs/dbraw/zinc/01/59/12/1065015912.db2.gz WXURZVYIPPRGEC-UHFFFAOYSA-N 0 0 453.391 4.761 20 0 JJADRN O=C(C[C@@H]1OCc2ccccc21)Oc1ccc(I)c(Br)c1 ZINC001435835437 1065015929 /nfs/dbraw/zinc/01/59/29/1065015929.db2.gz GDWVEYPBZMOOIP-HNNXBMFYSA-N 0 0 459.077 4.621 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1OC ZINC001360124112 1065016158 /nfs/dbraw/zinc/01/61/58/1065016158.db2.gz QOHDZACCFJCFOI-UHFFFAOYSA-N 0 0 451.539 4.931 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 ZINC001360124159 1065016174 /nfs/dbraw/zinc/01/61/74/1065016174.db2.gz WMPJTKIRZPXVCH-NRFANRHFSA-N 0 0 499.685 4.803 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)nn1 ZINC001435837248 1065016387 /nfs/dbraw/zinc/01/63/87/1065016387.db2.gz QSXYIIJFMNBZAN-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1OC(F)F ZINC001360124247 1065016746 /nfs/dbraw/zinc/01/67/46/1065016746.db2.gz YURFXEMYKZXIDT-UHFFFAOYSA-N 0 0 493.555 4.666 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)nnc2-c2ccco2)cc1 ZINC001435839994 1065017915 /nfs/dbraw/zinc/01/79/15/1065017915.db2.gz SQRSWWYYYFFPLU-FGTMMUONSA-N 0 0 454.596 4.959 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)nc3n2CCC3)cc1 ZINC001435841578 1065018817 /nfs/dbraw/zinc/01/88/17/1065018817.db2.gz KNXZLSVLIUGPOP-CQSZACIVSA-N 0 0 457.452 4.987 20 0 JJADRN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(C(F)F)c2Cl)C1=O ZINC001435842785 1065019252 /nfs/dbraw/zinc/01/92/52/1065019252.db2.gz ZIGYALXTBYULAW-QHCPKHFHSA-N 0 0 457.864 4.837 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cc(Cl)c(C)cc3Br)c2)o1 ZINC001435842328 1065019455 /nfs/dbraw/zinc/01/94/55/1065019455.db2.gz URHMEKVUOKTEKU-UHFFFAOYSA-N 0 0 450.720 4.902 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2csc(-c3ccncc3)n2)cc1 ZINC001435843417 1065019850 /nfs/dbraw/zinc/01/98/50/1065019850.db2.gz OJZDLEMKGFOCTP-SFHVURJKSA-N 0 0 452.605 4.656 20 0 JJADRN Cc1noc(COc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3Cl)cn2)n1 ZINC001435843483 1065019905 /nfs/dbraw/zinc/01/99/05/1065019905.db2.gz PJXWPQYBOPKQFY-UHFFFAOYSA-N 0 0 458.099 4.674 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC001435844829 1065020402 /nfs/dbraw/zinc/02/04/02/1065020402.db2.gz OHFYDPFAHOWDPD-QHCPKHFHSA-N 0 0 452.595 4.803 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC001435844749 1065020476 /nfs/dbraw/zinc/02/04/76/1065020476.db2.gz KFYUUKGNHJASIO-NRFANRHFSA-N 0 0 454.636 4.843 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3CCN(c4ccccc4OC(F)F)C3)c2)c(C)c1 ZINC001360126538 1065020667 /nfs/dbraw/zinc/02/06/67/1065020667.db2.gz AGGYOTZDHGHBKK-LJQANCHMSA-N 0 0 453.489 4.676 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001360126573 1065020764 /nfs/dbraw/zinc/02/07/64/1065020764.db2.gz BXULXZZTKJOURC-GFCCVEGCSA-N 0 0 459.718 4.642 20 0 JJADRN Cc1nc(-c2ccc(C(=O)NCCc3cn4cc(Br)cc(C)c4n3)cc2)cs1 ZINC001435847159 1065021350 /nfs/dbraw/zinc/02/13/50/1065021350.db2.gz BFLRXBGGJSIOTG-UHFFFAOYSA-N 0 0 455.381 4.810 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccc(F)c4c3CCCC4)nc12 ZINC001435847203 1065021600 /nfs/dbraw/zinc/02/16/00/1065021600.db2.gz CTGIHLABROKHJY-UHFFFAOYSA-N 0 0 458.375 4.715 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C)c1cccc(Br)c1 ZINC001435849166 1065022037 /nfs/dbraw/zinc/02/20/37/1065022037.db2.gz DTWRVSVLHHODPX-OALUTQOASA-N 0 0 455.755 4.932 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1F ZINC001435849524 1065022126 /nfs/dbraw/zinc/02/21/26/1065022126.db2.gz KIYLTVQUPYJGQV-FQEVSTJZSA-N 0 0 458.958 4.776 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001435850434 1065022402 /nfs/dbraw/zinc/02/24/02/1065022402.db2.gz CIJIBYZNAQYCMJ-QFIPXVFZSA-N 0 0 459.550 4.737 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1Cc2c(cc(C)cc2F)N1C(=O)OC(C)(C)C ZINC001435851237 1065022972 /nfs/dbraw/zinc/02/29/72/1065022972.db2.gz HWUWNROGAYNZNB-JOCHJYFZSA-N 0 0 450.514 4.933 20 0 JJADRN CCCCCn1nc(C(=O)O[C@@H](c2ccncc2)c2cccc(OC)c2)c2ccccc2c1=O ZINC001435851621 1065023622 /nfs/dbraw/zinc/02/36/22/1065023622.db2.gz GSSZHCZDAHOLJH-VWLOTQADSA-N 0 0 457.530 4.937 20 0 JJADRN COCCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1cccc(Br)n1 ZINC001435851962 1065023765 /nfs/dbraw/zinc/02/37/65/1065023765.db2.gz LFVQOFJXCFOEQA-UHFFFAOYSA-N 0 0 454.296 4.539 20 0 JJADRN Cc1ccc(Br)nc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435851874 1065023782 /nfs/dbraw/zinc/02/37/82/1065023782.db2.gz CETKQRYXUUQFCB-UHFFFAOYSA-N 0 0 454.162 4.599 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435852444 1065024095 /nfs/dbraw/zinc/02/40/95/1065024095.db2.gz OSSFGHJBCFBZFS-MRXNPFEDSA-N 0 0 454.368 4.641 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435852442 1065024257 /nfs/dbraw/zinc/02/42/57/1065024257.db2.gz OSSFGHJBCFBZFS-INIZCTEOSA-N 0 0 454.368 4.641 20 0 JJADRN COCCN(C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)c1cccc(Br)n1 ZINC001435852484 1065024358 /nfs/dbraw/zinc/02/43/58/1065024358.db2.gz OICFFRYDOJPBKU-KRWDZBQOSA-N 0 0 455.352 4.958 20 0 JJADRN Cc1ccc(C(=O)c2c(NC(=O)CCNC(=O)c3ccsc3)sc3c2CCC3)c(C)c1 ZINC001435852921 1065024581 /nfs/dbraw/zinc/02/45/81/1065024581.db2.gz TURPXVQWDYEKOR-UHFFFAOYSA-N 0 0 452.601 4.905 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnc(Br)c(Br)c1)[C@@H]2C ZINC001435852532 1065024684 /nfs/dbraw/zinc/02/46/84/1065024684.db2.gz GOPKKYQHFGBQFL-GHMZBOCLSA-N 0 0 454.162 4.763 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)N[C@H](c3cccc4ccccc43)C(F)(F)F)c(C)n2n1 ZINC001435854560 1065025970 /nfs/dbraw/zinc/02/59/70/1065025970.db2.gz HQXKKGCQNONZDS-LJQANCHMSA-N 0 0 459.497 4.579 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)N[C@@H](c3cccc4ccccc43)C(F)(F)F)c(C)n2n1 ZINC001435854559 1065026105 /nfs/dbraw/zinc/02/61/05/1065026105.db2.gz HQXKKGCQNONZDS-IBGZPJMESA-N 0 0 459.497 4.579 20 0 JJADRN O=C(Cn1cnc(-c2ccccc2)cc1=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001360131312 1065026629 /nfs/dbraw/zinc/02/66/29/1065026629.db2.gz KFVNEWVMFDONTJ-UHFFFAOYSA-N 0 0 455.480 4.901 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC001360131158 1065026826 /nfs/dbraw/zinc/02/68/26/1065026826.db2.gz IMGXMHKFDYZEHJ-OAQYLSRUSA-N 0 0 454.998 4.929 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3C(F)(F)F)cc2)nc1 ZINC001435856065 1065027130 /nfs/dbraw/zinc/02/71/30/1065027130.db2.gz UNNGIHGWVKILCF-OAQYLSRUSA-N 0 0 455.436 4.514 20 0 JJADRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435856199 1065027166 /nfs/dbraw/zinc/02/71/66/1065027166.db2.gz VGESNLUAOLCOHB-IRXDYDNUSA-N 0 0 450.295 4.709 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001360132728 1065027762 /nfs/dbraw/zinc/02/77/62/1065027762.db2.gz WZWSAGOFEZAAQI-IBGZPJMESA-N 0 0 455.530 4.986 20 0 JJADRN CCc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)n1 ZINC001435856388 1065027824 /nfs/dbraw/zinc/02/78/24/1065027824.db2.gz SCLQJHXTOBYRMK-UHFFFAOYSA-N 0 0 454.983 4.534 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001435857949 1065028692 /nfs/dbraw/zinc/02/86/92/1065028692.db2.gz DYMHSITUUZAIDY-OAHLLOKOSA-N 0 0 453.391 4.988 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435860809 1065029591 /nfs/dbraw/zinc/02/95/91/1065029591.db2.gz WMFWYFWLIIKBCN-LBPRGKRZSA-N 0 0 450.686 4.724 20 0 JJADRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3csc(C(F)(F)F)c3)c12 ZINC001435860642 1065029745 /nfs/dbraw/zinc/02/97/45/1065029745.db2.gz GSZAXJYRCMEHOE-IYKSTZQJSA-N 0 0 450.486 4.959 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cnc(Br)c(Cl)c1 ZINC001360134493 1065030707 /nfs/dbraw/zinc/03/07/07/1065030707.db2.gz CXLGZQCMRRLINL-UHFFFAOYSA-N 0 0 450.745 4.993 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001435862668 1065030607 /nfs/dbraw/zinc/03/06/07/1065030607.db2.gz CIYYUENWIMZOSN-NRFANRHFSA-N 0 0 452.595 4.710 20 0 JJADRN COc1ccc(Cn2cc(C(=O)NCc3ccccc3Oc3cccc(C)c3)cn2)cc1OC ZINC001360135042 1065030976 /nfs/dbraw/zinc/03/09/76/1065030976.db2.gz JWAISPXBPNNTGL-UHFFFAOYSA-N 0 0 457.530 4.979 20 0 JJADRN C[C@H]1COc2ccccc2CN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001435864005 1065031094 /nfs/dbraw/zinc/03/10/94/1065031094.db2.gz YHZGGMXBSQVSRZ-WWPVKYPJSA-N 0 0 450.579 4.522 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001435863409 1065031238 /nfs/dbraw/zinc/03/12/38/1065031238.db2.gz NXQZJZVJTGDWTQ-UHFFFAOYSA-N 0 0 454.283 4.980 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC001360135700 1065032087 /nfs/dbraw/zinc/03/20/87/1065032087.db2.gz WREADLJWMLYWRM-GOSISDBHSA-N 0 0 457.368 4.942 20 0 JJADRN Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCC3)cc(C)c1OCC(=O)N1CCCCC1 ZINC001435864793 1065032286 /nfs/dbraw/zinc/03/22/86/1065032286.db2.gz QNYOFMKRFNSYFZ-UHFFFAOYSA-N 0 0 457.954 4.640 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360136242 1065032671 /nfs/dbraw/zinc/03/26/71/1065032671.db2.gz FWYFJUFWJXWFBW-UHFFFAOYSA-N 0 0 452.551 4.517 20 0 JJADRN Cc1c(I)cccc1NC(=O)Cc1ccccc1OCc1ccncc1 ZINC001435865046 1065032751 /nfs/dbraw/zinc/03/27/51/1065032751.db2.gz BUQHDSXMBLDNGQ-UHFFFAOYSA-N 0 0 458.299 4.755 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@H]1COc2cc(F)cc(F)c21 ZINC001435865733 1065033049 /nfs/dbraw/zinc/03/30/49/1065033049.db2.gz LDXQXZJYUDFZRA-LBPRGKRZSA-N 0 0 457.321 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001360137681 1065033453 /nfs/dbraw/zinc/03/34/53/1065033453.db2.gz YWBOTMDALCSRFY-UHFFFAOYSA-N 0 0 451.778 4.789 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)Nc1sc2c(c1C(=O)c1cccc(OC)c1)CCC2 ZINC001435868972 1065035218 /nfs/dbraw/zinc/03/52/18/1065035218.db2.gz RDOSSZYPRMEPNN-UHFFFAOYSA-N 0 0 451.592 4.516 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC001435868791 1065035240 /nfs/dbraw/zinc/03/52/40/1065035240.db2.gz FPKYIHAZIJVVOE-UHFFFAOYSA-N 0 0 459.593 4.956 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)cn1 ZINC001435869882 1065035704 /nfs/dbraw/zinc/03/57/04/1065035704.db2.gz LPRPJIWXMNRMHW-UHFFFAOYSA-N 0 0 452.305 4.801 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)c(N(C)C)c1 ZINC001435869896 1065035731 /nfs/dbraw/zinc/03/57/31/1065035731.db2.gz AIMKRWVRFTWTTB-UHFFFAOYSA-N 0 0 450.539 4.794 20 0 JJADRN O=C(CCN1C(=O)COc2ccccc21)OCc1cc(Cl)c(Br)c(Cl)c1 ZINC001435872981 1065037101 /nfs/dbraw/zinc/03/71/01/1065037101.db2.gz WYTKSNUGUHIOBK-UHFFFAOYSA-N 0 0 459.123 4.615 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)CCc1nc(-c3ccncc3)no1)CCCC2 ZINC001435872980 1065037248 /nfs/dbraw/zinc/03/72/48/1065037248.db2.gz QAIFHNBNPTUOMU-UHFFFAOYSA-N 0 0 454.552 4.599 20 0 JJADRN C[C@H](CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001435874455 1065037702 /nfs/dbraw/zinc/03/77/02/1065037702.db2.gz RJLGBSLOUWFACO-OAHLLOKOSA-N 0 0 457.489 4.983 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)OCc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC001435874620 1065037762 /nfs/dbraw/zinc/03/77/62/1065037762.db2.gz UTXUOQYFWCWUOX-UHFFFAOYSA-N 0 0 450.857 4.669 20 0 JJADRN COC(=O)c1nc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)sc1C1CC1 ZINC001435874857 1065038255 /nfs/dbraw/zinc/03/82/55/1065038255.db2.gz DOLWTSYUTWZOHI-UHFFFAOYSA-N 0 0 458.971 4.753 20 0 JJADRN O=C(CCc1c(Cl)cccc1Cl)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001435875339 1065038492 /nfs/dbraw/zinc/03/84/92/1065038492.db2.gz NXBDALFIDQAJHG-UHFFFAOYSA-N 0 0 453.317 4.535 20 0 JJADRN O=C(N1CCN(c2nc(F)c(F)cc2F)CC1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001435875182 1065038513 /nfs/dbraw/zinc/03/85/13/1065038513.db2.gz DZEQNTDBYCAOEE-UHFFFAOYSA-N 0 0 451.920 4.994 20 0 JJADRN COc1ccc(Br)c(OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC001435877616 1065039549 /nfs/dbraw/zinc/03/95/49/1065039549.db2.gz GPAWPRLMQJJATO-AWEZNQCLSA-N 0 0 452.732 4.569 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)cc2)c1 ZINC001435878211 1065040003 /nfs/dbraw/zinc/04/00/03/1065040003.db2.gz JAXJVJMBNIFZLG-UHFFFAOYSA-N 0 0 458.558 4.934 20 0 JJADRN COc1cc(NC(=O)[C@@]2(C)CCOc3ccccc32)c(Br)cc1Br ZINC001435879200 1065040384 /nfs/dbraw/zinc/04/03/84/1065040384.db2.gz BIAZLMJMCBPMQK-SFHVURJKSA-N 0 0 455.146 4.899 20 0 JJADRN CCCCOc1ccc(C(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1OC ZINC001435879511 1065040482 /nfs/dbraw/zinc/04/04/82/1065040482.db2.gz LBILSIRHCHLXLG-UHFFFAOYSA-N 0 0 454.548 4.714 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)Nc1cc(OC)c(Br)cc1Br)CC2 ZINC001435879547 1065040497 /nfs/dbraw/zinc/04/04/97/1065040497.db2.gz DFZMJDOKKNFWBR-NSHDSACASA-N 0 0 455.146 4.897 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3coc(-c4ccccc4Cl)n3)c2)n1 ZINC001435880495 1065040828 /nfs/dbraw/zinc/04/08/28/1065040828.db2.gz SFWTVPVVCKOJLU-UHFFFAOYSA-N 0 0 453.907 4.835 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001435880271 1065040901 /nfs/dbraw/zinc/04/09/01/1065040901.db2.gz WKSKNPSHELZOSR-AREMUKBSSA-N 0 0 458.558 4.984 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)s1 ZINC001435879875 1065040950 /nfs/dbraw/zinc/04/09/50/1065040950.db2.gz KLCZIAYEGOVBDQ-UHFFFAOYSA-N 0 0 456.376 4.527 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1C ZINC001435881645 1065041807 /nfs/dbraw/zinc/04/18/07/1065041807.db2.gz CWRIOGNBRVOEHV-LJQANCHMSA-N 0 0 452.942 4.740 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1C ZINC001435881643 1065041904 /nfs/dbraw/zinc/04/19/04/1065041904.db2.gz CWRIOGNBRVOEHV-IBGZPJMESA-N 0 0 452.942 4.740 20 0 JJADRN COc1cc(NC(=O)c2ccc3c(c2)COC(=O)N3)c(Br)cc1Br ZINC001435881776 1065042541 /nfs/dbraw/zinc/04/25/41/1065042541.db2.gz WYQGJZDEHYZQFF-UHFFFAOYSA-N 0 0 456.090 4.535 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)C1CC1 ZINC001435881834 1065042592 /nfs/dbraw/zinc/04/25/92/1065042592.db2.gz MMYZBKOEWPCJTK-TYILLQQXSA-N 0 0 456.366 4.568 20 0 JJADRN Cc1c(C(=O)N(C)Cc2cc(Br)ccc2Cl)nnn1-c1ccc(F)c(F)c1 ZINC001435881866 1065042600 /nfs/dbraw/zinc/04/26/00/1065042600.db2.gz FJVXTXIMXZIQHP-UHFFFAOYSA-N 0 0 455.690 4.542 20 0 JJADRN O=C(Cc1cc(-c2ccccc2)on1)OCc1ccc(I)c(Cl)c1 ZINC001435882601 1065042847 /nfs/dbraw/zinc/04/28/47/1065042847.db2.gz BASXLZLCGAEHIF-UHFFFAOYSA-N 0 0 453.663 4.886 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCc1ccc(OCC2CC2)cc1 ZINC001435882821 1065043097 /nfs/dbraw/zinc/04/30/97/1065043097.db2.gz CUTHKCUMQUSISQ-LJQANCHMSA-N 0 0 457.592 4.704 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCc3ccc(F)cc3F)cc2Br)on1 ZINC001360142955 1065043009 /nfs/dbraw/zinc/04/30/09/1065043009.db2.gz RRKWJGKVXXPQSW-UHFFFAOYSA-N 0 0 451.267 4.575 20 0 JJADRN O=C(OCc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001435885627 1065043947 /nfs/dbraw/zinc/04/39/47/1065043947.db2.gz VBPGTZPQNMWFOL-QGZVFWFLSA-N 0 0 458.725 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)CC1CCCCC1 ZINC001435886417 1065044434 /nfs/dbraw/zinc/04/44/34/1065044434.db2.gz YHOCEHPIWBHFQL-LEWJYISDSA-N 0 0 457.615 4.552 20 0 JJADRN Cn1cc(-c2ccc(C(=O)OCc3ccc(I)c(Cl)c3)cc2)cn1 ZINC001435885808 1065044482 /nfs/dbraw/zinc/04/44/82/1065044482.db2.gz YWEWTEAETNBGEQ-UHFFFAOYSA-N 0 0 452.679 4.702 20 0 JJADRN CCCCc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c(C(=O)OCC)[nH]1 ZINC001435887210 1065044928 /nfs/dbraw/zinc/04/49/28/1065044928.db2.gz PFLICXDMCYYHDC-UHFFFAOYSA-N 0 0 450.326 4.674 20 0 JJADRN O=C(Nc1cccc2cnncc21)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001435890203 1065047009 /nfs/dbraw/zinc/04/70/09/1065047009.db2.gz LWSSIPOYOIVHIG-UHFFFAOYSA-N 0 0 453.211 4.788 20 0 JJADRN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001360145258 1065046922 /nfs/dbraw/zinc/04/69/22/1065046922.db2.gz MGNMNXHENRPQIW-RTWAWAEBSA-N 0 0 479.554 4.918 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)c1C ZINC001435890353 1065047692 /nfs/dbraw/zinc/04/76/92/1065047692.db2.gz PXRYDLHWCSOGKZ-UHFFFAOYSA-N 0 0 453.424 4.917 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2c(Cl)cccc2OC)[C@H]1c1ccccc1OC ZINC001435891335 1065048180 /nfs/dbraw/zinc/04/81/80/1065048180.db2.gz LEFQUWGBUJXRDZ-HOYKHHGWSA-N 0 0 458.986 4.753 20 0 JJADRN COc1cc(I)c(C(=O)NCc2ccc(C3CCC3)cc2)cc1OC ZINC001435892116 1065048459 /nfs/dbraw/zinc/04/84/59/1065048459.db2.gz RRJAZEQUUSCAPE-UHFFFAOYSA-N 0 0 451.304 4.506 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1cc(F)c(F)cc1Br ZINC001435892264 1065048683 /nfs/dbraw/zinc/04/86/83/1065048683.db2.gz AFZZFRDUFYJSHT-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN CO[C@@H](C(=O)Oc1cc(F)cc(I)c1)c1ccccc1C(F)(F)F ZINC001435892620 1065049014 /nfs/dbraw/zinc/04/90/14/1065049014.db2.gz DUQOIBYIGOAPGL-CQSZACIVSA-N 0 0 454.157 4.742 20 0 JJADRN CSc1ncc(C(=O)Oc2cc(F)cc(I)c2)n1-c1ccccc1 ZINC001435894601 1065049432 /nfs/dbraw/zinc/04/94/32/1065049432.db2.gz ZWUHNCDKGLWXEZ-UHFFFAOYSA-N 0 0 454.264 4.557 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCC3Cc4ccccc4C3)cc2Br)on1 ZINC001435893497 1065049445 /nfs/dbraw/zinc/04/94/45/1065049445.db2.gz RCIAXOAMJDXTMA-UHFFFAOYSA-N 0 0 455.352 4.859 20 0 JJADRN CO[C@@H]1CCC[C@@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)C1 ZINC001435895965 1065050426 /nfs/dbraw/zinc/05/04/26/1065050426.db2.gz UZVZYIKYFWUGGG-DGCLKSJQSA-N 0 0 456.242 4.949 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(OCc3ccccc3)c2)cc1 ZINC001435898014 1065051316 /nfs/dbraw/zinc/05/13/16/1065051316.db2.gz LWQFSEOIEVPOOJ-IBGZPJMESA-N 0 0 453.560 4.870 20 0 JJADRN CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001435901611 1065053676 /nfs/dbraw/zinc/05/36/76/1065053676.db2.gz IQUIDXHRGPFPLU-HXUWFJFHSA-N 0 0 450.348 4.953 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001435901392 1065053700 /nfs/dbraw/zinc/05/37/00/1065053700.db2.gz RKQWGJBZFWPQQS-UHFFFAOYSA-N 0 0 455.480 4.881 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N(C)CC3(c4ccccc4)CC3)n2)cc(Cl)c1OC ZINC001435901612 1065053748 /nfs/dbraw/zinc/05/37/48/1065053748.db2.gz UHPMDIWXDFPCSG-UHFFFAOYSA-N 0 0 455.942 4.530 20 0 JJADRN Cc1c(NC(=O)CCc2cccc(OC(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435903490 1065054469 /nfs/dbraw/zinc/05/44/69/1065054469.db2.gz MMZHUJJAOSAMFD-UHFFFAOYSA-N 0 0 454.399 4.826 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC001435902930 1065054595 /nfs/dbraw/zinc/05/45/95/1065054595.db2.gz SQRNLMHUEOPYOM-UNMCSNQZSA-N 0 0 455.599 4.602 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001435905320 1065055499 /nfs/dbraw/zinc/05/54/99/1065055499.db2.gz VJGVCEJYNJNDHJ-MRXNPFEDSA-N 0 0 453.404 4.841 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001435906052 1065055720 /nfs/dbraw/zinc/05/57/20/1065055720.db2.gz CRJISBGRBQDUHV-YWZLYKJASA-N 0 0 455.967 4.580 20 0 JJADRN CC(C)(C(=O)N1CCCC2(CCCCC2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001435905830 1065055886 /nfs/dbraw/zinc/05/58/86/1065055886.db2.gz PFKRMVWURJTGFM-UHFFFAOYSA-N 0 0 456.446 4.964 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)c(I)c1 ZINC001435906439 1065055944 /nfs/dbraw/zinc/05/59/44/1065055944.db2.gz HDTAPWSBZFMENI-DIFFPNOSSA-N 0 0 459.686 4.686 20 0 JJADRN Cc1ccc(CC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1Br ZINC001435907173 1065056373 /nfs/dbraw/zinc/05/63/73/1065056373.db2.gz GSODOIFJGSJLFC-UHFFFAOYSA-N 0 0 459.384 4.867 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc(F)ccc1N1CCOCC1 ZINC001435907328 1065056430 /nfs/dbraw/zinc/05/64/30/1065056430.db2.gz SGGTUZSUGNIVDJ-UHFFFAOYSA-N 0 0 456.867 4.796 20 0 JJADRN Cc1csc(C(=O)Nc2cc(F)cc(F)c2Br)c1I ZINC001435907648 1065056629 /nfs/dbraw/zinc/05/66/29/1065056629.db2.gz CHXSUPQCQLGLBJ-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)C3=Cc4ccccc4O[C@H]3C(F)F)cc2C1 ZINC001435908061 1065056642 /nfs/dbraw/zinc/05/66/42/1065056642.db2.gz LWZYXXDRIUGQQM-OAQYLSRUSA-N 0 0 456.489 4.663 20 0 JJADRN COC(=O)c1ccc(CNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001435907863 1065056655 /nfs/dbraw/zinc/05/66/55/1065056655.db2.gz DEKRZUGMHRXXCT-XYOKQWHBSA-N 0 0 456.258 4.974 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)C3=Cc4ccccc4O[C@@H]3C(F)F)cc2C1 ZINC001435908057 1065056849 /nfs/dbraw/zinc/05/68/49/1065056849.db2.gz LWZYXXDRIUGQQM-NRFANRHFSA-N 0 0 456.489 4.663 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001360154663 1065056831 /nfs/dbraw/zinc/05/68/31/1065056831.db2.gz FFTJGIJXNCOIHE-WZONZLPQSA-N 0 0 459.571 4.894 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001435908175 1065057028 /nfs/dbraw/zinc/05/70/28/1065057028.db2.gz CGYGYSRZSFLFMC-MXWWQKGMSA-N 0 0 451.405 4.500 20 0 JJADRN O=C(Cc1ccccc1I)N[C@H](COc1ccccc1)c1ccccc1 ZINC001360154674 1065057243 /nfs/dbraw/zinc/05/72/43/1065057243.db2.gz FOXFOMSUKWWGAQ-OAQYLSRUSA-N 0 0 457.311 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC001360155368 1065057382 /nfs/dbraw/zinc/05/73/82/1065057382.db2.gz VZUAHBURWHWANF-WCYRKSIYSA-N 0 0 450.579 4.960 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(I)c(F)c1 ZINC001435909070 1065057734 /nfs/dbraw/zinc/05/77/34/1065057734.db2.gz WPZQMJRDSVBCFB-APPDUMDISA-N 0 0 459.686 4.686 20 0 JJADRN Cc1ccc(I)c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC001435908909 1065057744 /nfs/dbraw/zinc/05/77/44/1065057744.db2.gz VSCXBELTJDLFCZ-UGSOOPFHSA-N 0 0 455.723 4.855 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001435909227 1065058018 /nfs/dbraw/zinc/05/80/18/1065058018.db2.gz IMQOKMHRWHTGEE-DLBZAZTESA-N 0 0 459.384 4.613 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CC=CCC2)c2ccccc2c1=O ZINC001360156483 1065058141 /nfs/dbraw/zinc/05/81/41/1065058141.db2.gz BSUAKWQFTXGGHH-KRWDZBQOSA-N 0 0 474.531 4.981 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001435909967 1065058513 /nfs/dbraw/zinc/05/85/13/1065058513.db2.gz CYNGMNJQUKDBEJ-FQEVSTJZSA-N 0 0 452.400 4.899 20 0 JJADRN CO[C@@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(Br)s1 ZINC001360157867 1065059348 /nfs/dbraw/zinc/05/93/48/1065059348.db2.gz XXJLBWIZBMMXKZ-MRXNPFEDSA-N 0 0 458.740 4.874 20 0 JJADRN COc1ccc(CCC(=O)NCCCc2cccc(Br)c2)c(Br)c1 ZINC001360157831 1065059473 /nfs/dbraw/zinc/05/94/73/1065059473.db2.gz WBAWKVQRQNYBNY-UHFFFAOYSA-N 0 0 455.190 4.902 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001360161081 1065059873 /nfs/dbraw/zinc/05/98/73/1065059873.db2.gz BEHULEIWOCISLQ-UHFFFAOYSA-N 0 0 458.624 4.605 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Br)c1 ZINC001360161047 1065059982 /nfs/dbraw/zinc/05/99/82/1065059982.db2.gz AIVBYNRWPQQHNR-CQSZACIVSA-N 0 0 452.370 4.651 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)O[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cs1 ZINC001435913137 1065060237 /nfs/dbraw/zinc/06/02/37/1065060237.db2.gz GMQZYFXZQLKYKM-OAHLLOKOSA-N 0 0 458.458 4.911 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)/C=C/c2nc3ccccc3s2)c2ccc(Cl)cc2)CCO1 ZINC001360161463 1065060481 /nfs/dbraw/zinc/06/04/81/1065060481.db2.gz JLVNUCKGYVNVJI-SGWGQVFISA-N 0 0 456.011 4.931 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1Cc1nc(C(C)(C)C)cs1 ZINC001360161707 1065060741 /nfs/dbraw/zinc/06/07/41/1065060741.db2.gz GEQVEVNOLWMRAO-AWEZNQCLSA-N 0 0 476.597 4.694 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001360161888 1065060897 /nfs/dbraw/zinc/06/08/97/1065060897.db2.gz IIMSYZKPYFKXRG-MRXNPFEDSA-N 0 0 466.636 4.847 20 0 JJADRN CC(C)(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccc(F)cc1F ZINC001360161945 1065060957 /nfs/dbraw/zinc/06/09/57/1065060957.db2.gz QBJRZQZXUUXNOS-OAQYLSRUSA-N 0 0 450.957 4.864 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)[C@H]2SCCc3sccc32)c2ccc(Cl)cc2)CCO1 ZINC001360162387 1065061452 /nfs/dbraw/zinc/06/14/52/1065061452.db2.gz XMKWAQSOJGVVMR-ICSRJNTNSA-N 0 0 451.057 4.700 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360162753 1065061785 /nfs/dbraw/zinc/06/17/85/1065061785.db2.gz SANSOQDHOHNDPF-AWEZNQCLSA-N 0 0 496.484 4.548 20 0 JJADRN COc1ccc(C)cc1[C@H](C)OC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001435916627 1065062019 /nfs/dbraw/zinc/06/20/19/1065062019.db2.gz UGIBLLCAWSSMLQ-FQEVSTJZSA-N 0 0 459.608 4.959 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CC1 ZINC001435917840 1065062244 /nfs/dbraw/zinc/06/22/44/1065062244.db2.gz PYWWFBLEGRURST-FQEVSTJZSA-N 0 0 454.596 4.995 20 0 JJADRN CCOCCOCCN(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001435918370 1065062930 /nfs/dbraw/zinc/06/29/30/1065062930.db2.gz WARRROIJIFMHNW-UHFFFAOYSA-N 0 0 457.368 4.789 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2ccccc2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360168012 1065063182 /nfs/dbraw/zinc/06/31/82/1065063182.db2.gz HXFNILFBJIPVEP-YMISUZCDSA-N 0 0 455.647 4.640 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)c2C(F)(F)F)cc1 ZINC001435919306 1065063321 /nfs/dbraw/zinc/06/33/21/1065063321.db2.gz BWVYZIUNOKYUMV-UHFFFAOYSA-N 0 0 457.861 4.509 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N[C@@H]1CC[C@@H](OC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435919503 1065063372 /nfs/dbraw/zinc/06/33/72/1065063372.db2.gz KYMGCPFKNSYJPT-RTBURBONSA-N 0 0 454.954 4.526 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)c2ccccc21 ZINC001435921021 1065064328 /nfs/dbraw/zinc/06/43/28/1065064328.db2.gz OAAVUYPGKATMNP-HXUWFJFHSA-N 0 0 457.368 4.747 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCc1ccc(Cl)s1 ZINC001360169846 1065064633 /nfs/dbraw/zinc/06/46/33/1065064633.db2.gz VCFIASUJJBFGDJ-UHFFFAOYSA-N 0 0 458.440 4.725 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360169847 1065064728 /nfs/dbraw/zinc/06/47/28/1065064728.db2.gz VCHZSSARAHYBFI-AEFFLSMTSA-N 0 0 462.520 4.828 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@H]1CCC[C@H]1C ZINC001360169916 1065064739 /nfs/dbraw/zinc/06/47/39/1065064739.db2.gz XBKBXSOCVHZWPQ-ZBFHGGJFSA-N 0 0 455.500 4.647 20 0 JJADRN COc1ccc(CCC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cn1 ZINC001435922339 1065064754 /nfs/dbraw/zinc/06/47/54/1065064754.db2.gz IRAJCRRWBHAHAX-UHFFFAOYSA-N 0 0 452.351 4.544 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)c(C(=O)NC2CC2)c1 ZINC001360171430 1065065055 /nfs/dbraw/zinc/06/50/55/1065065055.db2.gz CUFWSUHUEWQKEA-ZDUSSCGKSA-N 0 0 455.967 4.908 20 0 JJADRN NC(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1N1CCCCC1 ZINC001360170820 1065065172 /nfs/dbraw/zinc/06/51/72/1065065172.db2.gz QCMXMQTXAFBSIS-UHFFFAOYSA-N 0 0 456.757 4.754 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001435922880 1065065336 /nfs/dbraw/zinc/06/53/36/1065065336.db2.gz GKVNOVRXTQYFMC-BHIYHBOVSA-N 0 0 453.410 4.650 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001360172048 1065065442 /nfs/dbraw/zinc/06/54/42/1065065442.db2.gz SENUISXGTNQQMF-FQEVSTJZSA-N 0 0 457.014 4.817 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001360171956 1065065684 /nfs/dbraw/zinc/06/56/84/1065065684.db2.gz DUUZOMGCYYTIRS-CQSZACIVSA-N 0 0 494.434 4.820 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)CSc2nnc(-c3cccs3)n2C)cc1 ZINC001360172642 1065065716 /nfs/dbraw/zinc/06/57/16/1065065716.db2.gz ZFFWVHYYGVLMMN-UHFFFAOYSA-N 0 0 458.653 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H](C)Cc1ccc(OC)cc1 ZINC001545894204 1065066184 /nfs/dbraw/zinc/06/61/84/1065066184.db2.gz RFAILKZWEYNFHF-IEBWSBKVSA-N 0 0 495.590 4.863 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)Oc1ccc(Oc2ccc(Br)cn2)cc1 ZINC001435924978 1065066346 /nfs/dbraw/zinc/06/63/46/1065066346.db2.gz KDUVKPIJNCZITJ-UHFFFAOYSA-N 0 0 455.308 4.752 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360175889 1065066477 /nfs/dbraw/zinc/06/64/77/1065066477.db2.gz VGBHBXYJOIZQBM-SAABIXHNSA-N 0 0 451.949 4.670 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1 ZINC001435925775 1065066547 /nfs/dbraw/zinc/06/65/47/1065066547.db2.gz OFKQTJYTQVYGNW-UHFFFAOYSA-N 0 0 458.312 4.712 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001360176882 1065066794 /nfs/dbraw/zinc/06/67/94/1065066794.db2.gz GVITUJRRMYGICZ-MOPGFXCFSA-N 0 0 481.563 4.609 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1CC(C)(C)C(F)(F)F ZINC001360176885 1065066862 /nfs/dbraw/zinc/06/68/62/1065066862.db2.gz GVITUJRRMYGICZ-RTBURBONSA-N 0 0 481.563 4.609 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)c(Cl)c1 ZINC001360178811 1065067447 /nfs/dbraw/zinc/06/74/47/1065067447.db2.gz ZKFTYPFCKPYPIH-LJQANCHMSA-N 0 0 458.986 4.579 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001435928068 1065067648 /nfs/dbraw/zinc/06/76/48/1065067648.db2.gz SADAGLCXPYUXKK-NRFANRHFSA-N 0 0 454.448 4.673 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCOc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360179068 1065067706 /nfs/dbraw/zinc/06/77/06/1065067706.db2.gz VBLMHNNRHWVIET-SJLPKXTDSA-N 0 0 485.526 4.754 20 0 JJADRN C[C@H](c1cccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1)N1CCOCC1 ZINC001360179540 1065067881 /nfs/dbraw/zinc/06/78/81/1065067881.db2.gz NBZDPTBCRINFIA-QGZVFWFLSA-N 0 0 458.002 4.648 20 0 JJADRN C[C@@H](c1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)N1CCOCC1 ZINC001360179217 1065067972 /nfs/dbraw/zinc/06/79/72/1065067972.db2.gz ASHSLEBPZZXDOS-WMZHIEFXSA-N 0 0 453.583 4.674 20 0 JJADRN CC(C)N(CC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)C(=O)OC(C)(C)C ZINC001435929542 1065068118 /nfs/dbraw/zinc/06/81/18/1065068118.db2.gz CPXXQEHIPWRNLO-IBGZPJMESA-N 0 0 453.421 4.922 20 0 JJADRN COC(=O)[C@](C)(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC001435930714 1065068562 /nfs/dbraw/zinc/06/85/62/1065068562.db2.gz MGNPZPRODYQZCY-GOSISDBHSA-N 0 0 450.240 4.596 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCCc1c[nH]c2ccccc12 ZINC001360181845 1065068844 /nfs/dbraw/zinc/06/88/44/1065068844.db2.gz UJFRYJPJIZFQTK-IBGZPJMESA-N 0 0 450.631 4.935 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCCn1ccc2ccccc21 ZINC001360181446 1065068871 /nfs/dbraw/zinc/06/88/71/1065068871.db2.gz FDGDWOGERCRSBY-FQEVSTJZSA-N 0 0 450.631 4.866 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccc(Cl)c(Cl)c1 ZINC001435932188 1065069109 /nfs/dbraw/zinc/06/91/09/1065069109.db2.gz ZLALRALEPZWYAM-HSZRJFAPSA-N 0 0 458.345 4.975 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001360182347 1065069223 /nfs/dbraw/zinc/06/92/23/1065069223.db2.gz MVOINOAHZJDZBK-UHFFFAOYSA-N 0 0 455.986 4.881 20 0 JJADRN O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932641 1065069508 /nfs/dbraw/zinc/06/95/08/1065069508.db2.gz JHWSXWNZVQJTKH-PZJWPPBQSA-N 0 0 455.396 4.868 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001435932757 1065069707 /nfs/dbraw/zinc/06/97/07/1065069707.db2.gz HDBLTBUHYBLCJB-UHFFFAOYSA-N 0 0 455.914 4.753 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)Cc2cccs2)n1CC1(C)CCOCC1 ZINC001360183045 1065070029 /nfs/dbraw/zinc/07/00/29/1065070029.db2.gz MJYVJXJESXEBPF-UHFFFAOYSA-N 0 0 473.668 4.563 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)Cc2cccs2)n1CC1(O)CCCCCC1 ZINC001360183177 1065070042 /nfs/dbraw/zinc/07/00/42/1065070042.db2.gz QEYKHSPOUWPZTR-UHFFFAOYSA-N 0 0 487.695 4.831 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435933225 1065070266 /nfs/dbraw/zinc/07/02/66/1065070266.db2.gz DIJXMAVHEPNDTG-QFIPXVFZSA-N 0 0 457.448 4.771 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360183511 1065070593 /nfs/dbraw/zinc/07/05/93/1065070593.db2.gz YDCQEBCIGTWRTG-KNQAVFIVSA-N 0 0 485.654 4.729 20 0 JJADRN O=C(CCOc1ccc(Cl)c(F)c1)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435934655 1065070849 /nfs/dbraw/zinc/07/08/49/1065070849.db2.gz NFJJVXQGMXMMCU-OAQYLSRUSA-N 0 0 455.913 4.891 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CCC(F)(F)F)CC2CC2)n1CCc1ccc(F)cc1Cl ZINC001360184372 1065071336 /nfs/dbraw/zinc/07/13/36/1065071336.db2.gz IPTKKPNGHSDJCI-UHFFFAOYSA-N 0 0 475.918 4.620 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1cc(Cl)ccc1OC(F)F ZINC001360186034 1065071819 /nfs/dbraw/zinc/07/18/19/1065071819.db2.gz FMRCQGWSVDAMFJ-BMGDILEWSA-N 0 0 481.975 4.734 20 0 JJADRN CC(C)(CC(=O)Oc1cnc2ccc(Br)cc2c1)NC(=O)OCc1ccccc1 ZINC001435937433 1065072077 /nfs/dbraw/zinc/07/20/77/1065072077.db2.gz GAMFVCTVBVIBEU-UHFFFAOYSA-N 0 0 457.324 4.998 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)cnc21 ZINC001435938146 1065072787 /nfs/dbraw/zinc/07/27/87/1065072787.db2.gz QAIQIPHDTNHQRJ-UHFFFAOYSA-N 0 0 456.812 4.550 20 0 JJADRN CCc1c(C(=O)NCc2cc(Br)ccc2Br)cnn1CCC(C)C ZINC001435938427 1065073055 /nfs/dbraw/zinc/07/30/55/1065073055.db2.gz WXBVXGJDZRXLIW-UHFFFAOYSA-N 0 0 457.210 4.947 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC001360188392 1065073164 /nfs/dbraw/zinc/07/31/64/1065073164.db2.gz QFWYHLFEFGJXNB-MRXNPFEDSA-N 0 0 451.355 4.955 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1Cc1ccsc1Br ZINC001360188742 1065073263 /nfs/dbraw/zinc/07/32/63/1065073263.db2.gz MPMZDUCRSIHUNY-QAPCUYQASA-N 0 0 488.455 4.671 20 0 JJADRN COc1ccc(/C=C/C(=O)NCc2cc(Br)ccc2Br)cc1OC ZINC001435938399 1065073125 /nfs/dbraw/zinc/07/31/25/1065073125.db2.gz WNBWABJPWSGGSJ-XBXARRHUSA-N 0 0 455.146 4.558 20 0 JJADRN COc1ccc(/C=C\C(=O)NCc2cc(Br)ccc2Br)cc1OC ZINC001435938401 1065073318 /nfs/dbraw/zinc/07/33/18/1065073318.db2.gz WNBWABJPWSGGSJ-YWEYNIOJSA-N 0 0 455.146 4.558 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 ZINC001360188947 1065073665 /nfs/dbraw/zinc/07/36/65/1065073665.db2.gz YHGNAXVSMVMXEW-OAHLLOKOSA-N 0 0 458.331 4.762 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccc(OC)c(F)c1 ZINC001435941322 1065074667 /nfs/dbraw/zinc/07/46/67/1065074667.db2.gz MYLCHLVSHFHDKV-ILCZHQDMSA-N 0 0 459.823 4.854 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@H](C)c3sc(-c4ccc(Cl)cc4)nc3C)nn2)c1 ZINC001360190359 1065074724 /nfs/dbraw/zinc/07/47/24/1065074724.db2.gz UGEMLHYLBLKONC-CYBMUJFWSA-N 0 0 453.955 4.852 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)[C@@H]1c1cccc(C)c1 ZINC001360190199 1065074748 /nfs/dbraw/zinc/07/47/48/1065074748.db2.gz OFEPTMLZDGVVNO-GGAORHGYSA-N 0 0 452.551 4.535 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001360191699 1065075132 /nfs/dbraw/zinc/07/51/32/1065075132.db2.gz RZYFFCINVMTPRO-UHFFFAOYSA-N 0 0 479.547 4.588 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCOc1ccccc1C(C)C ZINC001360190563 1065075226 /nfs/dbraw/zinc/07/52/26/1065075226.db2.gz AVMPNRDLFWTIBH-UHFFFAOYSA-N 0 0 479.625 4.801 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001360192138 1065075680 /nfs/dbraw/zinc/07/56/80/1065075680.db2.gz OZTXSSCNJOHVMZ-BWKNWUBXSA-N 0 0 458.558 4.677 20 0 JJADRN COC(=O)N1CCC([C@H](C)NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001435946279 1065076017 /nfs/dbraw/zinc/07/60/17/1065076017.db2.gz ILFCCFSPBOKHNX-LBPRGKRZSA-N 0 0 456.395 4.643 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCC3(c4ccc(F)cc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435947946 1065076620 /nfs/dbraw/zinc/07/66/20/1065076620.db2.gz OYGPHPWIIOJQGO-YKSBVNFPSA-N 0 0 456.533 4.511 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(c4ccc(F)cc4F)CCCC3)CCC(=O)N2C)cc1 ZINC001435947937 1065076656 /nfs/dbraw/zinc/07/66/56/1065076656.db2.gz OYGPHPWIIOJQGO-RDPSFJRHSA-N 0 0 456.533 4.511 20 0 JJADRN C[C@@H]1CCCCCN1C(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001435947319 1065076708 /nfs/dbraw/zinc/07/67/08/1065076708.db2.gz ALLSMYAMKNEKAJ-GFCCVEGCSA-N 0 0 458.727 4.663 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001360194739 1065076822 /nfs/dbraw/zinc/07/68/22/1065076822.db2.gz LKKGIDKVJHWCME-KKXNLOMOSA-N 0 0 490.693 4.543 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001360198542 1065077622 /nfs/dbraw/zinc/07/76/22/1065077622.db2.gz ZCZIQEMJZOHQHK-OAHLLOKOSA-N 0 0 452.383 4.702 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)c2)cn1 ZINC001360198451 1065077672 /nfs/dbraw/zinc/07/76/72/1065077672.db2.gz XJMSCBWMPNXSLF-NRFANRHFSA-N 0 0 455.480 4.997 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001360198504 1065077736 /nfs/dbraw/zinc/07/77/36/1065077736.db2.gz YIRPTMCQVUZTIF-MRXNPFEDSA-N 0 0 459.281 4.935 20 0 JJADRN CCN(Cc1c(F)cccc1F)C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001360199152 1065078149 /nfs/dbraw/zinc/07/81/49/1065078149.db2.gz SRHUEFKFNYAMDC-QFIPXVFZSA-N 0 0 457.521 4.931 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001360199073 1065078195 /nfs/dbraw/zinc/07/81/95/1065078195.db2.gz BMHWGVXKGNCBDY-LPHOPBHVSA-N 0 0 492.437 4.906 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)o2)CC1 ZINC001435952381 1065078557 /nfs/dbraw/zinc/07/85/57/1065078557.db2.gz WTNNSWGCWTUSQN-CTNGQTDRSA-N 0 0 453.583 4.930 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CCc1ccccc1C(F)(F)F ZINC001360201484 1065078598 /nfs/dbraw/zinc/07/85/98/1065078598.db2.gz WHJIPWSUFRQWOU-UHFFFAOYSA-N 0 0 492.571 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C2(CCCCC2)C1 ZINC001360202189 1065078820 /nfs/dbraw/zinc/07/88/20/1065078820.db2.gz QAVISVAMRNNCHE-UHFFFAOYSA-N 0 0 452.599 4.587 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC001435954064 1065079012 /nfs/dbraw/zinc/07/90/12/1065079012.db2.gz PSAVIVIDCDMGPB-XJKSGUPXSA-N 0 0 457.210 4.839 20 0 JJADRN C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc2ncsc2c1 ZINC001435954696 1065079347 /nfs/dbraw/zinc/07/93/47/1065079347.db2.gz HPFGYBIZNWWFFX-RNODOKPDSA-N 0 0 450.391 4.854 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3cc(Cl)c(Br)cc3F)sc21 ZINC001360205451 1065080130 /nfs/dbraw/zinc/08/01/30/1065080130.db2.gz KMIMZWWYGKVBPK-UHFFFAOYSA-N 0 0 458.696 4.594 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)c3cnc(Br)c(Br)c3)sc2c1 ZINC001435955745 1065080402 /nfs/dbraw/zinc/08/04/02/1065080402.db2.gz KNGUUSRBOWZECO-UHFFFAOYSA-N 0 0 455.131 4.671 20 0 JJADRN O=C(Cc1cc(F)cc2c1OCOC2)Oc1ccc(OC(F)(F)F)c(Br)c1 ZINC001435957252 1065080691 /nfs/dbraw/zinc/08/06/91/1065080691.db2.gz VFRAGHLLGSCRPY-UHFFFAOYSA-N 0 0 451.166 4.501 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001435957187 1065080861 /nfs/dbraw/zinc/08/08/61/1065080861.db2.gz UGFPECYMKSHOTR-UHFFFAOYSA-N 0 0 453.951 4.831 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)CO2 ZINC001360209290 1065080967 /nfs/dbraw/zinc/08/09/67/1065080967.db2.gz PCHIWLYAPMWKKL-QGZVFWFLSA-N 0 0 458.436 4.769 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001435957496 1065081281 /nfs/dbraw/zinc/08/12/81/1065081281.db2.gz NIFNQJJXVFEPMG-HXUWFJFHSA-N 0 0 450.421 4.540 20 0 JJADRN Cc1cc(Br)c(C(=O)NC2(c3ccccc3)CCOCC2)cc1Br ZINC001360210240 1065081488 /nfs/dbraw/zinc/08/14/88/1065081488.db2.gz GTMDLXYJFPZKRY-UHFFFAOYSA-N 0 0 453.174 4.956 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OCc2ccccc2)c1 ZINC001435958052 1065081757 /nfs/dbraw/zinc/08/17/57/1065081757.db2.gz QVLDHFOFZKBQHH-GOSISDBHSA-N 0 0 450.922 4.919 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3ccc(-n4cnnn4)c(C)c3)cc2C)c1 ZINC001360211715 1065081797 /nfs/dbraw/zinc/08/17/97/1065081797.db2.gz FDBNZNLHAKGKCD-UHFFFAOYSA-N 0 0 455.562 4.747 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cccnc3N3CCOCC3)cc2C)cc1 ZINC001360211974 1065081808 /nfs/dbraw/zinc/08/18/08/1065081808.db2.gz MPGSQOMJNCMUCZ-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360211660 1065081974 /nfs/dbraw/zinc/08/19/74/1065081974.db2.gz LNLPLGUPMJMOMK-WOJBJXKFSA-N 0 0 493.574 4.896 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)nn1-c1ccc(Cl)cc1Cl ZINC001435958682 1065082075 /nfs/dbraw/zinc/08/20/75/1065082075.db2.gz UAZYYWDLJFCVHW-OAQYLSRUSA-N 0 0 458.324 4.880 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)cc1 ZINC001435958619 1065082263 /nfs/dbraw/zinc/08/22/63/1065082263.db2.gz ZFLRVHVJELFBAS-OAQYLSRUSA-N 0 0 454.636 4.914 20 0 JJADRN O=C(/C=C/c1cnc2ccccc2n1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001435959605 1065083139 /nfs/dbraw/zinc/08/31/39/1065083139.db2.gz HJFIVCZGTARGTH-MDRMPYQZSA-N 0 0 459.347 4.901 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1cc(Br)ccc1OC ZINC001545894498 1065083182 /nfs/dbraw/zinc/08/31/82/1065083182.db2.gz XNRJEALNQMEGIT-UHFFFAOYSA-N 0 0 492.462 4.642 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)c1 ZINC001360213892 1065083308 /nfs/dbraw/zinc/08/33/08/1065083308.db2.gz NHWMPDMGRCGRLF-UHFFFAOYSA-N 0 0 456.886 4.523 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC001435961394 1065083436 /nfs/dbraw/zinc/08/34/36/1065083436.db2.gz KZEJODKVOQKKBU-JSGCOSHPSA-N 0 0 454.354 4.944 20 0 JJADRN O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N1CCCc2c(Br)ccc(Cl)c21 ZINC001435960903 1065083469 /nfs/dbraw/zinc/08/34/69/1065083469.db2.gz NNJUXMWHCJSIMM-INIZCTEOSA-N 0 0 455.686 4.853 20 0 JJADRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)C2(c3cncc(Br)c3)CC2)cc1 ZINC001435961672 1065083848 /nfs/dbraw/zinc/08/38/48/1065083848.db2.gz DOIOFEZBVNKYMW-UHFFFAOYSA-N 0 0 451.368 4.570 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H]1CC=CCC1 ZINC001360216210 1065084242 /nfs/dbraw/zinc/08/42/42/1065084242.db2.gz JTEJGRZVVUFWHH-LJQANCHMSA-N 0 0 494.640 4.682 20 0 JJADRN COc1ccc2c(c1)CCN(C(=O)c1cccnc1Oc1cccc(Br)c1)CC2 ZINC001435963248 1065084433 /nfs/dbraw/zinc/08/44/33/1065084433.db2.gz SIMULAZWOJGXGW-UHFFFAOYSA-N 0 0 453.336 4.886 20 0 JJADRN COC(=O)Cc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001360216857 1065084572 /nfs/dbraw/zinc/08/45/72/1065084572.db2.gz PIZSDDDTYPZXIY-UHFFFAOYSA-N 0 0 456.498 4.673 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@@H]1CCC[C@@H]1C ZINC001360216614 1065084622 /nfs/dbraw/zinc/08/46/22/1065084622.db2.gz RBUDIFCLVQTHOM-ICSRJNTNSA-N 0 0 471.621 4.542 20 0 JJADRN CCn1ncc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c1Br ZINC001435967761 1065085265 /nfs/dbraw/zinc/08/52/65/1065085265.db2.gz KUTJCOOSPWBBPJ-OAHLLOKOSA-N 0 0 459.157 4.838 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1nc2cc(Cl)ccc2s1 ZINC001360218016 1065085661 /nfs/dbraw/zinc/08/56/61/1065085661.db2.gz AVIDHWQCCJXVEM-HNNXBMFYSA-N 0 0 461.035 4.600 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001435968531 1065085866 /nfs/dbraw/zinc/08/58/66/1065085866.db2.gz QDJGSTGTMRJUJD-BQFCYCMXSA-N 0 0 455.860 4.633 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)CCO2 ZINC001435969174 1065086102 /nfs/dbraw/zinc/08/61/02/1065086102.db2.gz GBHDNTMIIFBZRG-UNMCSNQZSA-N 0 0 459.384 4.625 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CCC[C@]2(C1)OCc1ccccc12)C(=O)OC(C)(C)C ZINC001435968862 1065086120 /nfs/dbraw/zinc/08/61/20/1065086120.db2.gz CGDFSPSRRQQESP-HHHXNRCGSA-N 0 0 450.579 4.758 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1cccc(N2C(=O)CCC2=O)c1 ZINC001360220931 1065086179 /nfs/dbraw/zinc/08/61/79/1065086179.db2.gz YCENYOLPOIGWMW-QHCPKHFHSA-N 0 0 454.860 4.791 20 0 JJADRN O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001435969159 1065086194 /nfs/dbraw/zinc/08/61/94/1065086194.db2.gz FWCWJECVOCWNJQ-IBGZPJMESA-N 0 0 451.158 4.873 20 0 JJADRN O=C(CCOc1ccccc1I)NCCCCCc1ccc(F)cc1 ZINC001435968790 1065086236 /nfs/dbraw/zinc/08/62/36/1065086236.db2.gz AHCWZGCAFUREAN-UHFFFAOYSA-N 0 0 455.311 4.728 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCC[C@]2(C1)OCc1ccccc12 ZINC001435968869 1065086294 /nfs/dbraw/zinc/08/62/94/1065086294.db2.gz CHXDWICPBPSNOK-LJQANCHMSA-N 0 0 451.158 4.873 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3CCc4c(Br)cc(C)cc4C3)CC2=O)cc1 ZINC001435971054 1065086661 /nfs/dbraw/zinc/08/66/61/1065086661.db2.gz GEZIEFHITOLXJY-LJQANCHMSA-N 0 0 455.396 4.648 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N3CCc4c(Br)cc(C)cc4C3)CC2=O)cc1 ZINC001435971052 1065086890 /nfs/dbraw/zinc/08/68/90/1065086890.db2.gz GEZIEFHITOLXJY-IBGZPJMESA-N 0 0 455.396 4.648 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccccc1OC1CCCC1 ZINC001360223385 1065087054 /nfs/dbraw/zinc/08/70/54/1065087054.db2.gz KUMRMSKZGHJSBC-JOCHJYFZSA-N 0 0 483.657 4.570 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)CCc1nc(-c3ccc(F)c(C)c3)no1)CC2 ZINC001435971856 1065087213 /nfs/dbraw/zinc/08/72/13/1065087213.db2.gz SOHNSBNANYGFET-UHFFFAOYSA-N 0 0 458.331 4.773 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1Cc1cscc1C(F)(F)F ZINC001360223187 1065087298 /nfs/dbraw/zinc/08/72/98/1065087298.db2.gz HEYXYCYNFLMSEE-GOSISDBHSA-N 0 0 493.555 4.593 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001360224827 1065087765 /nfs/dbraw/zinc/08/77/65/1065087765.db2.gz KPNKJXQJBMEJCV-SANMLTNESA-N 0 0 458.599 4.749 20 0 JJADRN COc1cc(N(C)C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC001360225141 1065088031 /nfs/dbraw/zinc/08/80/31/1065088031.db2.gz NSQRVIIRAWRJAA-ZWKOTPCHSA-N 0 0 450.576 4.539 20 0 JJADRN COc1cc(N(C)C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC001360225135 1065088160 /nfs/dbraw/zinc/08/81/60/1065088160.db2.gz NSQRVIIRAWRJAA-MSOLQXFVSA-N 0 0 450.576 4.539 20 0 JJADRN COc1cc(N(C)C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC001360225139 1065088191 /nfs/dbraw/zinc/08/81/91/1065088191.db2.gz NSQRVIIRAWRJAA-ROUUACIJSA-N 0 0 450.576 4.539 20 0 JJADRN O=C(NCCCCCCOc1ccc(Cl)cc1)c1cnn2cc(Br)cnc12 ZINC001435974344 1065088172 /nfs/dbraw/zinc/08/81/72/1065088172.db2.gz BGSKUIGNCUZULB-UHFFFAOYSA-N 0 0 451.752 4.514 20 0 JJADRN COc1ccc(CN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C(C)(C)C)c(OC)c1 ZINC001435974551 1065088331 /nfs/dbraw/zinc/08/83/31/1065088331.db2.gz CTYMHXGNOIFADH-UHFFFAOYSA-N 0 0 451.542 4.958 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001360225300 1065088556 /nfs/dbraw/zinc/08/85/56/1065088556.db2.gz SFCCARFHTJEETM-VEYUFSJPSA-N 0 0 456.671 4.984 20 0 JJADRN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc(I)ccc1F ZINC001435974981 1065088796 /nfs/dbraw/zinc/08/87/96/1065088796.db2.gz HOXHGTCIQGDCDJ-UHFFFAOYSA-N 0 0 453.295 4.547 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360226359 1065088930 /nfs/dbraw/zinc/08/89/30/1065088930.db2.gz AOPUYKJLEWOJHM-FQEVSTJZSA-N 0 0 455.603 4.936 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360225962 1065089079 /nfs/dbraw/zinc/08/90/79/1065089079.db2.gz CLKURRBPUNLIMP-CTWPCTMYSA-N 0 0 459.660 4.803 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360226360 1065089171 /nfs/dbraw/zinc/08/91/71/1065089171.db2.gz AOPUYKJLEWOJHM-HXUWFJFHSA-N 0 0 455.603 4.936 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001360227858 1065090043 /nfs/dbraw/zinc/09/00/43/1065090043.db2.gz ZITAVKHYTAYPCP-INIZCTEOSA-N 0 0 479.528 4.608 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360227583 1065090067 /nfs/dbraw/zinc/09/00/67/1065090067.db2.gz XPQLUFFIKKRHJU-QGZVFWFLSA-N 0 0 465.451 4.557 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(Oc2nccs2)c1 ZINC001435978943 1065090260 /nfs/dbraw/zinc/09/02/60/1065090260.db2.gz NMCIYWJOZZVMAH-UHFFFAOYSA-N 0 0 450.438 4.770 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228020 1065090470 /nfs/dbraw/zinc/09/04/70/1065090470.db2.gz IUBAVOWWLCCMPK-QTLGCAHFSA-N 0 0 450.648 4.716 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CSCc1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228044 1065090551 /nfs/dbraw/zinc/09/05/51/1065090551.db2.gz JJPOGPOYZDGJRG-DVECYGJZSA-N 0 0 458.693 4.994 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CSCc1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228046 1065090579 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451.327 4.988 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@@H]1CCCCC1(F)F ZINC001360231484 1065091883 /nfs/dbraw/zinc/09/18/83/1065091883.db2.gz MNDVJMJJXQMMOP-IRXDYDNUSA-N 0 0 451.587 4.515 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccc(NC(C)C)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360230993 1065092083 /nfs/dbraw/zinc/09/20/83/1065092083.db2.gz BZPAWPIKHMPAPK-NLFFAJNJSA-N 0 0 450.627 4.528 20 0 JJADRN Cc1cc(-n2cncn2)ccc1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435983105 1065091948 /nfs/dbraw/zinc/09/19/48/1065091948.db2.gz NHWVTDUESVHUDM-QGZVFWFLSA-N 0 0 453.262 4.762 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 ZINC001435983079 1065092021 /nfs/dbraw/zinc/09/20/21/1065092021.db2.gz ABWGRFPHKXSZTH-GOSISDBHSA-N 0 0 456.970 4.918 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360231658 1065092333 /nfs/dbraw/zinc/09/23/33/1065092333.db2.gz PNDQRFGUDYCNDU-BRWVUGGUSA-N 0 0 469.577 4.983 20 0 JJADRN 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HWPJIAFHDKQWPX-QRWLVFNGSA-N 0 0 492.020 4.680 20 0 JJADRN CC(C)NC(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOc1ccccc1 ZINC001360262670 1065107219 /nfs/dbraw/zinc/10/72/19/1065107219.db2.gz YEKICFGYKVXDHL-UHFFFAOYSA-N 0 0 481.666 4.705 20 0 JJADRN C[C@H](OC(=O)c1cnc(Br)c(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC001436010031 1065107196 /nfs/dbraw/zinc/10/71/96/1065107196.db2.gz PQRSLCNHKXQWRQ-ZETCQYMHSA-N 0 0 454.040 4.938 20 0 JJADRN O=C(N1CCOC[C@H]1c1nc2ccccc2s1)C(F)(F)c1ccc(Br)cc1 ZINC001436010316 1065107983 /nfs/dbraw/zinc/10/79/83/1065107983.db2.gz WYRPKBGMPNTROM-HNNXBMFYSA-N 0 0 453.308 4.751 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)S(=O)(=O)C1CCCCC1 ZINC001360263738 1065108728 /nfs/dbraw/zinc/10/87/28/1065108728.db2.gz NFVLTNVAVTXARM-FQEVSTJZSA-N 0 0 451.976 4.633 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC001360264300 1065109088 /nfs/dbraw/zinc/10/90/88/1065109088.db2.gz ZCISJARUYBZINK-UHFFFAOYSA-N 0 0 456.949 4.701 20 0 JJADRN 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O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001360270581 1065113003 /nfs/dbraw/zinc/11/30/03/1065113003.db2.gz HFAFCJLFCVHIHK-KURKYZTESA-N 0 0 466.258 4.879 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC001360271688 1065113680 /nfs/dbraw/zinc/11/36/80/1065113680.db2.gz VFKHOHDKVQJDHJ-UHFFFAOYSA-N 0 0 452.692 4.634 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)NCC2CC(c3ccccc3)C2)nnc1-c1ccccc1 ZINC001436015680 1065114260 /nfs/dbraw/zinc/11/42/60/1065114260.db2.gz UTRULSFAEITGJO-PGFLUOATSA-N 0 0 450.608 4.555 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2cnn3cccc(Br)c23)c(OC)c1 ZINC001436015922 1065114329 /nfs/dbraw/zinc/11/43/29/1065114329.db2.gz WXPBFOYMVIAAHT-UHFFFAOYSA-N 0 0 458.356 4.557 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360273683 1065114415 /nfs/dbraw/zinc/11/44/15/1065114415.db2.gz BAADXVRWAMSEDA-MRXNPFEDSA-N 0 0 498.416 4.884 20 0 JJADRN Cc1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1Br ZINC001436016862 1065115086 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FSXZSQAUTARKHN-UHFFFAOYSA-N 0 0 450.442 4.814 20 0 JJADRN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCO1 ZINC001360275909 1065117381 /nfs/dbraw/zinc/11/73/81/1065117381.db2.gz VLNSSNLYODQQBG-UGSOOPFHSA-N 0 0 451.354 4.816 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1 ZINC001360276635 1065118095 /nfs/dbraw/zinc/11/80/95/1065118095.db2.gz ORRYIAIPFZZMRJ-KRWDZBQOSA-N 0 0 458.530 4.889 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001436021346 1065118199 /nfs/dbraw/zinc/11/81/99/1065118199.db2.gz HENOOZOPEDOVFO-HHHXNRCGSA-N 0 0 452.595 4.880 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)n1 ZINC001436021491 1065118867 /nfs/dbraw/zinc/11/88/67/1065118867.db2.gz YROJWSGEZQQILK-UHFFFAOYSA-N 0 0 450.442 4.814 20 0 JJADRN Cc1ccc([C@H]2COCCN2C(=O)Cc2csc(-c3sccc3Br)n2)o1 ZINC001360278144 1065119293 /nfs/dbraw/zinc/11/92/93/1065119293.db2.gz FDOFYRJRPFMITP-CQSZACIVSA-N 0 0 453.383 4.678 20 0 JJADRN 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ZINC001436024185 1065121486 /nfs/dbraw/zinc/12/14/86/1065121486.db2.gz XKKNWEZLEVFNOW-FXAWDEMLSA-N 0 0 450.373 4.854 20 0 JJADRN O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001436024526 1065121543 /nfs/dbraw/zinc/12/15/43/1065121543.db2.gz AVXGZDMBMZTCHA-OAQYLSRUSA-N 0 0 451.325 4.850 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001436026670 1065122207 /nfs/dbraw/zinc/12/22/07/1065122207.db2.gz RUNFLIJVDBLCIG-VGOFRKELSA-N 0 0 451.405 4.835 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001436027595 1065122702 /nfs/dbraw/zinc/12/27/02/1065122702.db2.gz KNOTUJPUOINVIP-PKNBQFBNSA-N 0 0 459.287 4.736 20 0 JJADRN COCc1c(C(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)sc2cccc(F)c21 ZINC001360282097 1065122766 /nfs/dbraw/zinc/12/27/66/1065122766.db2.gz QMKCRHXRABPVPF-UHFFFAOYSA-N 0 0 451.466 4.671 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001360282270 1065122805 /nfs/dbraw/zinc/12/28/05/1065122805.db2.gz SXSVMISNPANKEX-HOTGVXAUSA-N 0 0 457.395 4.559 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC4CCCCC4)cc3)C2)cc1 ZINC001360282168 1065122924 /nfs/dbraw/zinc/12/29/24/1065122924.db2.gz SCKDZECUDOWBIV-HXUWFJFHSA-N 0 0 456.608 4.746 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360282799 1065122983 /nfs/dbraw/zinc/12/29/83/1065122983.db2.gz NVVTYVBJUSPIAX-GOSISDBHSA-N 0 0 472.584 4.527 20 0 JJADRN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1)C2 ZINC001436028043 1065123394 /nfs/dbraw/zinc/12/33/94/1065123394.db2.gz BHJGGOQEVAVJQP-RBBKRZOGSA-N 0 0 456.583 4.972 20 0 JJADRN CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC1CC1)C1CCCCC1 ZINC001360285533 1065124160 /nfs/dbraw/zinc/12/41/60/1065124160.db2.gz IAXKSFSGADZDNJ-GOSISDBHSA-N 0 0 457.594 4.631 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3cccc(C(C)(C)C)c3)c2)cc1 ZINC001360285149 1065124210 /nfs/dbraw/zinc/12/42/10/1065124210.db2.gz XRBUDGDHYSVSKW-UHFFFAOYSA-N 0 0 452.576 4.724 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001360285244 1065124269 /nfs/dbraw/zinc/12/42/69/1065124269.db2.gz AGBNTSFXSPFYCG-DNVCBOLYSA-N 0 0 478.410 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3cccnc3n2)[C@H](c2ccccc2Cl)C1 ZINC001436029043 1065124680 /nfs/dbraw/zinc/12/46/80/1065124680.db2.gz KWTWFCYLBOUGLD-FQEVSTJZSA-N 0 0 452.942 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2OCCc3ccccc32)[C@H](c2cccc(F)c2)C1 ZINC001436029071 1065124786 /nfs/dbraw/zinc/12/47/86/1065124786.db2.gz LBLUNQMBPZXWHX-GOTSBHOMSA-N 0 0 454.542 4.650 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001360285564 1065124955 /nfs/dbraw/zinc/12/49/55/1065124955.db2.gz JEVIJNKVORKLMT-QGZVFWFLSA-N 0 0 474.428 4.635 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)cc21 ZINC001360286180 1065124964 /nfs/dbraw/zinc/12/49/64/1065124964.db2.gz AOVWOWOLSWXFEL-URXFXBBRSA-N 0 0 450.579 4.675 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001360286880 1065125549 /nfs/dbraw/zinc/12/55/49/1065125549.db2.gz URGRYARMZDUWNZ-DENIHFKCSA-N 0 0 455.986 4.754 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001360286882 1065125565 /nfs/dbraw/zinc/12/55/65/1065125565.db2.gz URGRYARMZDUWNZ-SIKLNZKXSA-N 0 0 455.986 4.754 20 0 JJADRN O=C(NC[C@@H]1OCCc2ccccc21)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360286661 1065125612 /nfs/dbraw/zinc/12/56/12/1065125612.db2.gz NREWUNAEAFGRGY-XZOQPEGZSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc3c2OCC3(C)C)[C@H](c2cccc(F)c2)C1 ZINC001436030018 1065125944 /nfs/dbraw/zinc/12/59/44/1065125944.db2.gz REVCKWGAUOQCEX-NRFANRHFSA-N 0 0 454.542 4.930 20 0 JJADRN Cc1ccn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3Cl)nc2c1 ZINC001436029851 1065126009 /nfs/dbraw/zinc/12/60/09/1065126009.db2.gz QBNKVAGRIPRRPG-HXUWFJFHSA-N 0 0 454.958 4.730 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NCC2CCC(F)(F)CC2)C1 ZINC001436029816 1065126047 /nfs/dbraw/zinc/12/60/47/1065126047.db2.gz DCNDDEBIZPUDTQ-INIZCTEOSA-N 0 0 457.359 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc3c(F)cccn32)[C@@H](c2ccccc2Cl)C1 ZINC001436030405 1065126654 /nfs/dbraw/zinc/12/66/54/1065126654.db2.gz UTEVSAOTGWCMPG-LJQANCHMSA-N 0 0 458.921 4.561 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)C2(c3cccc(Br)c3)CCCCC2)CC1 ZINC001360288173 1065126778 /nfs/dbraw/zinc/12/67/78/1065126778.db2.gz MWZNVTGVLAQTCU-UHFFFAOYSA-N 0 0 451.405 4.777 20 0 JJADRN CCOc1c(F)cccc1C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360291121 1065127441 /nfs/dbraw/zinc/12/74/41/1065127441.db2.gz HSFUMSCMXPCDHE-UHFFFAOYSA-N 0 0 452.501 4.905 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436031515 1065127973 /nfs/dbraw/zinc/12/79/73/1065127973.db2.gz QTWFMFYVYNSNJC-NRFANRHFSA-N 0 0 454.489 4.529 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001360293526 1065128191 /nfs/dbraw/zinc/12/81/91/1065128191.db2.gz KILCDFSIKGWJIB-UHFFFAOYSA-N 0 0 459.521 4.670 20 0 JJADRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436032170 1065128731 /nfs/dbraw/zinc/12/87/31/1065128731.db2.gz DSERXNDGNHMLCH-OZVIIMIRSA-N 0 0 455.121 4.704 20 0 JJADRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)C1(c2ccccc2Br)CC1 ZINC001436032501 1065129366 /nfs/dbraw/zinc/12/93/66/1065129366.db2.gz GSOQTWULPCYXNH-OAHLLOKOSA-N 0 0 455.121 4.632 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001360295724 1065129528 /nfs/dbraw/zinc/12/95/28/1065129528.db2.gz LBXWBZAMKBNZFO-NHCUHLMSSA-N 0 0 467.658 4.696 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1C ZINC001360296907 1065130102 /nfs/dbraw/zinc/13/01/02/1065130102.db2.gz FBVVBBDUZZQJQJ-JGCGQSQUSA-N 0 0 457.592 4.689 20 0 JJADRN O=C(CCc1ccc(F)c2c1CCCC2)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360296861 1065130173 /nfs/dbraw/zinc/13/01/73/1065130173.db2.gz DILVTRMCLXDELD-KRWDZBQOSA-N 0 0 450.476 4.931 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)[C@H](c2ccncc2)C1 ZINC001436033758 1065130537 /nfs/dbraw/zinc/13/05/37/1065130537.db2.gz NXQHAJAIYZKTPR-SFHVURJKSA-N 0 0 453.436 4.674 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2=O)cc1 ZINC001360297212 1065130649 /nfs/dbraw/zinc/13/06/49/1065130649.db2.gz MYROMKDEHKJSQK-ICACTRECSA-N 0 0 452.620 4.564 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2=O)cc1 ZINC001360297211 1065130732 /nfs/dbraw/zinc/13/07/32/1065130732.db2.gz MYROMKDEHKJSQK-GHRAFVERSA-N 0 0 452.620 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C2)C1 ZINC001436034931 1065131440 /nfs/dbraw/zinc/13/14/40/1065131440.db2.gz XVCCVAPTPXRBTI-XMMPIXPASA-N 0 0 459.587 4.741 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001360297412 1065131565 /nfs/dbraw/zinc/13/15/65/1065131565.db2.gz SVXFXSYKQVAVJE-GDLZYMKVSA-N 0 0 455.548 4.517 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001360297375 1065131586 /nfs/dbraw/zinc/13/15/86/1065131586.db2.gz RZKSXJDPRSWMFT-XJFCNFDWSA-N 0 0 456.677 4.997 20 0 JJADRN CCN(c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)cc1)C(C)C ZINC001436036177 1065132769 /nfs/dbraw/zinc/13/27/69/1065132769.db2.gz WZPCECBSAZZVQM-HSZRJFAPSA-N 0 0 452.599 4.751 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(-c4cccc(Br)c4)no3)cc2)n1 ZINC001360300256 1065132998 /nfs/dbraw/zinc/13/29/98/1065132998.db2.gz JUDBASJJRZUDJA-UHFFFAOYSA-N 0 0 455.268 4.627 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cn1 ZINC001360299852 1065133026 /nfs/dbraw/zinc/13/30/26/1065133026.db2.gz WGSWUOASQUCILP-OAQYLSRUSA-N 0 0 452.555 4.672 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001360300594 1065133499 /nfs/dbraw/zinc/13/34/99/1065133499.db2.gz UHYUMSOQYMVHQY-HKBQPEDESA-N 0 0 453.530 4.611 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)cc2)n1 ZINC001360300492 1065133615 /nfs/dbraw/zinc/13/36/15/1065133615.db2.gz QSIRWJQFSHVLBI-UHFFFAOYSA-N 0 0 459.506 4.702 20 0 JJADRN Cc1cc(C)c(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c(C)c1Br ZINC001436039244 1065134241 /nfs/dbraw/zinc/13/42/41/1065134241.db2.gz RXFGWIMWZDBVLS-KRWDZBQOSA-N 0 0 455.437 4.972 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N3CCC[C@H](C(C)(C)C)C3)cc2OC)cc1 ZINC001436040323 1065135021 /nfs/dbraw/zinc/13/50/21/1065135021.db2.gz JXOORDOWUIGLHQ-IBGZPJMESA-N 0 0 454.567 4.620 20 0 JJADRN CCc1nc2cc(CNC(=O)c3cccc(I)c3C)ccc2n1C1CC1 ZINC001436041441 1065135675 /nfs/dbraw/zinc/13/56/75/1065135675.db2.gz JFFBSVDYBSLZKE-UHFFFAOYSA-N 0 0 459.331 4.777 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2c(C)nn(C3CCOCC3)c2C)cc1 ZINC001360302822 1065135728 /nfs/dbraw/zinc/13/57/28/1065135728.db2.gz NZXWETMBNRQEEC-RPWUZVMVSA-N 0 0 455.599 4.760 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC001360302748 1065135768 /nfs/dbraw/zinc/13/57/68/1065135768.db2.gz MHOMWMKTKXLUKG-GGAORHGYSA-N 0 0 454.567 4.946 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c(C)nn(C3CCOCC3)c2C)cc1 ZINC001360302820 1065135856 /nfs/dbraw/zinc/13/58/56/1065135856.db2.gz NZXWETMBNRQEEC-BJKOFHAPSA-N 0 0 455.599 4.760 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc(OC)c(OC)c(C)c3OC)s2)cc1 ZINC001436041018 1065135806 /nfs/dbraw/zinc/13/58/06/1065135806.db2.gz FCTYSTGFQDBFEL-UHFFFAOYSA-N 0 0 456.520 4.596 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cnc(Cc4ccccc4F)s3)CC2)c1 ZINC001436041838 1065136358 /nfs/dbraw/zinc/13/63/58/1065136358.db2.gz AYDKJEPSELXNNO-UHFFFAOYSA-N 0 0 458.530 4.991 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC001360303749 1065136459 /nfs/dbraw/zinc/13/64/59/1065136459.db2.gz MUIZXIPJZIWEAH-UHFFFAOYSA-N 0 0 453.564 4.788 20 0 JJADRN COCCOc1cc(C(=O)NCc2ccc(Oc3ccccc3OC)cc2)nc2ccccc21 ZINC001360303805 1065136497 /nfs/dbraw/zinc/13/64/97/1065136497.db2.gz OYVOCWJMJRMLBU-UHFFFAOYSA-N 0 0 458.514 4.991 20 0 JJADRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCn1ccccc1=O ZINC001436041665 1065136451 /nfs/dbraw/zinc/13/64/51/1065136451.db2.gz HYHFCQIFKXKFCS-QFIPXVFZSA-N 0 0 458.480 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)C(C)(C)C1 ZINC001436042549 1065137184 /nfs/dbraw/zinc/13/71/84/1065137184.db2.gz CIXHPXRGUXHCLO-NRFANRHFSA-N 0 0 451.567 4.704 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(C)(C)C)cc1 ZINC001360303908 1065137267 /nfs/dbraw/zinc/13/72/67/1065137267.db2.gz BHICHUAKLFMNOM-UHFFFAOYSA-N 0 0 454.644 4.991 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccco2)cc1 ZINC001360304657 1065137965 /nfs/dbraw/zinc/13/79/65/1065137965.db2.gz OCCKLJXCYDURMB-GCJKJVERSA-N 0 0 466.586 4.888 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccco2)cc1 ZINC001360304659 1065137974 /nfs/dbraw/zinc/13/79/74/1065137974.db2.gz OCCKLJXCYDURMB-XMSQKQJNSA-N 0 0 466.586 4.888 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Cl)c1 ZINC001436044708 1065139273 /nfs/dbraw/zinc/13/92/73/1065139273.db2.gz UYUQQUCJZZBPCL-QGZVFWFLSA-N 0 0 453.967 4.674 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c2)c1C ZINC001436044473 1065139354 /nfs/dbraw/zinc/13/93/54/1065139354.db2.gz SCOUDQKRPYHOPV-JOCHJYFZSA-N 0 0 454.615 4.817 20 0 JJADRN Cc1oc(-c2ccccc2)cc1C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC001436047357 1065141219 /nfs/dbraw/zinc/14/12/19/1065141219.db2.gz BSUZQPRLQJNATG-UHFFFAOYSA-N 0 0 451.324 4.870 20 0 JJADRN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001436047568 1065141915 /nfs/dbraw/zinc/14/19/15/1065141915.db2.gz FFITYACIUFEXEL-GOSISDBHSA-N 0 0 452.448 4.781 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001436047753 1065141997 /nfs/dbraw/zinc/14/19/97/1065141997.db2.gz GBFJPOLDKWBDKK-DFBJGRDBSA-N 0 0 456.542 4.958 20 0 JJADRN CC1CCC(C)(C(=O)NC[C@@H]2CCCN2Cc2ccc(I)cc2)CC1 ZINC001436048173 1065142613 /nfs/dbraw/zinc/14/26/13/1065142613.db2.gz OTKRTCPFYDERLM-BSLVTKGXSA-N 0 0 454.396 4.588 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360307002 1065142706 /nfs/dbraw/zinc/14/27/06/1065142706.db2.gz JEGJISSGYJEIEV-ZDUSSCGKSA-N 0 0 453.873 4.812 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(F)c(F)c1 ZINC001360307892 1065143190 /nfs/dbraw/zinc/14/31/90/1065143190.db2.gz BIXQUWDFMPMBGR-CYBMUJFWSA-N 0 0 451.441 4.959 20 0 JJADRN O=C(CCc1cc(F)ccc1F)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308309 1065143777 /nfs/dbraw/zinc/14/37/77/1065143777.db2.gz JJJOFZUKWULKFQ-UHFFFAOYSA-N 0 0 451.441 4.788 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC001436049805 1065144126 /nfs/dbraw/zinc/14/41/26/1065144126.db2.gz DDFOXXPMJPJEBI-VWLOTQADSA-N 0 0 458.961 4.607 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)ccc1C(C)C ZINC001436049772 1065144149 /nfs/dbraw/zinc/14/41/49/1065144149.db2.gz SUTAAIRTKPWTIB-UHFFFAOYSA-N 0 0 451.394 4.969 20 0 JJADRN C[C@H](NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccsc1 ZINC001436050365 1065144592 /nfs/dbraw/zinc/14/45/92/1065144592.db2.gz ZFIJEPDBXRYYFV-INIZCTEOSA-N 0 0 454.577 4.529 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001436050524 1065144628 /nfs/dbraw/zinc/14/46/28/1065144628.db2.gz YEOUXCVDPOHXMK-INIZCTEOSA-N 0 0 451.394 4.736 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001436050370 1065144692 /nfs/dbraw/zinc/14/46/92/1065144692.db2.gz ZJYSHDMNHHWQJH-UHFFFAOYSA-N 0 0 453.558 4.518 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1 ZINC001436051654 1065145369 /nfs/dbraw/zinc/14/53/69/1065145369.db2.gz JCADCWQPNNSCPK-OAQYLSRUSA-N 0 0 455.338 4.612 20 0 JJADRN CCn1ncc(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1Br ZINC001436052455 1065146009 /nfs/dbraw/zinc/14/60/09/1065146009.db2.gz FFMWIWHLOKHOPL-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3cccc4cccnc43)ccc2Cl)C1 ZINC001436053125 1065146509 /nfs/dbraw/zinc/14/65/09/1065146509.db2.gz JATWYRDGMHIKSX-INIZCTEOSA-N 0 0 457.983 4.585 20 0 JJADRN O=C([C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001436052745 1065146519 /nfs/dbraw/zinc/14/65/19/1065146519.db2.gz IVHAMXBKVOFCRX-DKSSEZFCSA-N 0 0 451.375 4.784 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC001436054595 1065147991 /nfs/dbraw/zinc/14/79/91/1065147991.db2.gz UWRVBJNOBFJEJT-FQEVSTJZSA-N 0 0 456.999 4.768 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001436055346 1065148062 /nfs/dbraw/zinc/14/80/62/1065148062.db2.gz IBXYGCAZSLELPV-JOCHJYFZSA-N 0 0 451.910 4.698 20 0 JJADRN CC(C)NS(=O)(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(C)(C)C ZINC001360311810 1065148372 /nfs/dbraw/zinc/14/83/72/1065148372.db2.gz ARBDNPXQSWJRJJ-UHFFFAOYSA-N 0 0 493.674 4.623 20 0 JJADRN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360311702 1065148506 /nfs/dbraw/zinc/14/85/06/1065148506.db2.gz WQGPUMVUMRBXBS-FQEVSTJZSA-N 0 0 459.384 4.895 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC001436055796 1065148606 /nfs/dbraw/zinc/14/86/06/1065148606.db2.gz OIWZMTJPOLFVQL-CYBMUJFWSA-N 0 0 458.219 4.519 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCC3(SC)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436055721 1065148672 /nfs/dbraw/zinc/14/86/72/1065148672.db2.gz MTZUXXMSELYKGG-LADGPHEKSA-N 0 0 452.620 4.890 20 0 JJADRN Cn1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c(-c2ccccc2Cl)n1 ZINC001436055659 1065148694 /nfs/dbraw/zinc/14/86/94/1065148694.db2.gz MEMBDZQLQSBHIG-HNNXBMFYSA-N 0 0 459.775 4.512 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC001436056083 1065148743 /nfs/dbraw/zinc/14/87/43/1065148743.db2.gz OYDCHIRJOUKEJP-LJQANCHMSA-N 0 0 452.352 4.954 20 0 JJADRN Cn1ncc(C(=O)Nc2cccc(CSC3CCCCC3)c2)c1I ZINC001360314298 1065149223 /nfs/dbraw/zinc/14/92/23/1065149223.db2.gz FOZGFXDAKYABRH-UHFFFAOYSA-N 0 0 455.365 4.843 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C)Oc2ccc(Br)cc21 ZINC001436056325 1065149400 /nfs/dbraw/zinc/14/94/00/1065149400.db2.gz JSZROHUSSMVGLK-RYUDHWBXSA-N 0 0 455.146 4.793 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)cc1N1CCNC1=O ZINC001436057813 1065149825 /nfs/dbraw/zinc/14/98/25/1065149825.db2.gz YEPOAQLYJWEPLD-UHFFFAOYSA-N 0 0 456.518 4.843 20 0 JJADRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC001436057180 1065149967 /nfs/dbraw/zinc/14/99/67/1065149967.db2.gz UOOZXCLGHUMYQN-LBPRGKRZSA-N 0 0 459.449 4.762 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360316945 1065149949 /nfs/dbraw/zinc/14/99/49/1065149949.db2.gz BWFHTEMKBLJQLK-DNVCBOLYSA-N 0 0 455.860 4.808 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)s2)cc1OC ZINC001436059411 1065151180 /nfs/dbraw/zinc/15/11/80/1065151180.db2.gz TYYKGUZOUYUQLP-UHFFFAOYSA-N 0 0 453.564 4.868 20 0 JJADRN O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001360317773 1065151120 /nfs/dbraw/zinc/15/11/20/1065151120.db2.gz GNVSSDZWNIWSSM-UHFFFAOYSA-N 0 0 451.491 4.562 20 0 JJADRN CCCc1c(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cnn1-c1cccc(C)c1 ZINC001436059255 1065151308 /nfs/dbraw/zinc/15/13/08/1065151308.db2.gz NIOMFIUCKIMXQN-UHFFFAOYSA-N 0 0 452.986 4.553 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccccc1C ZINC001360317939 1065151979 /nfs/dbraw/zinc/15/19/79/1065151979.db2.gz FDRISJKMROYXTR-MHZLTWQESA-N 0 0 452.595 4.764 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001360318237 1065152053 /nfs/dbraw/zinc/15/20/53/1065152053.db2.gz JIQSBZBVXCNOHX-UHFFFAOYSA-N 0 0 452.507 4.730 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001436060365 1065151985 /nfs/dbraw/zinc/15/19/85/1065151985.db2.gz LBNSDFKOFZWVCU-MAUKXSAKSA-N 0 0 450.258 4.940 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC001436060232 1065152001 /nfs/dbraw/zinc/15/20/01/1065152001.db2.gz IXGGVWUIIBNYIB-XORNHQRDSA-N 0 0 450.362 4.910 20 0 JJADRN O=C(CCOc1cccc(I)c1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001436059923 1065152049 /nfs/dbraw/zinc/15/20/49/1065152049.db2.gz FNXVJNGVHQQEBC-LEWJYISDSA-N 0 0 457.311 4.886 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)c2)C1=O ZINC001436061859 1065153520 /nfs/dbraw/zinc/15/35/20/1065153520.db2.gz FYCLMOJDGQOOPS-UHFFFAOYSA-N 0 0 451.429 4.844 20 0 JJADRN O=C(NCc1cccc(CN2C(=O)CSC2=O)c1)c1cnc(-c2ccccc2Cl)s1 ZINC001545895240 1065153545 /nfs/dbraw/zinc/15/35/45/1065153545.db2.gz RHVSSODDGQMDJM-UHFFFAOYSA-N 0 0 457.964 4.589 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001436063335 1065154089 /nfs/dbraw/zinc/15/40/89/1065154089.db2.gz CAMZTCQDNKVKAR-XJKSGUPXSA-N 0 0 454.752 4.834 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC001436062956 1065154146 /nfs/dbraw/zinc/15/41/46/1065154146.db2.gz YEEYCDIHJDJNFQ-UHFFFAOYSA-N 0 0 450.239 4.879 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)on3)c2)C1=O ZINC001436063306 1065154162 /nfs/dbraw/zinc/15/41/62/1065154162.db2.gz UHBDIHLYTCLFFU-UHFFFAOYSA-N 0 0 459.289 4.736 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)CCOC1 ZINC001360319873 1065154785 /nfs/dbraw/zinc/15/47/85/1065154785.db2.gz OCNIXPFTOPGZRM-PISWEHOVSA-N 0 0 488.629 4.624 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001360319881 1065154825 /nfs/dbraw/zinc/15/48/25/1065154825.db2.gz OEMBHMDCXXIRKK-UUOWRZLLSA-N 0 0 489.542 4.978 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1cc2cc(Br)cnc2n1C ZINC001436063697 1065155084 /nfs/dbraw/zinc/15/50/84/1065155084.db2.gz AJQCPJODZZPVDG-UHFFFAOYSA-N 0 0 452.308 4.918 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001436065084 1065155610 /nfs/dbraw/zinc/15/56/10/1065155610.db2.gz ISBOZAHQCNUVRW-HNNXBMFYSA-N 0 0 457.372 4.870 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)c1C ZINC001436065495 1065155781 /nfs/dbraw/zinc/15/57/81/1065155781.db2.gz MKSAOENBLQKYTE-XZOQPEGZSA-N 0 0 451.954 4.534 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2CC(F)(F)C2)CCOC1 ZINC001360319969 1065155664 /nfs/dbraw/zinc/15/56/64/1065155664.db2.gz PPMGOEDDOVVUEC-QRQCRPRQSA-N 0 0 470.511 4.840 20 0 JJADRN CC1(C)C[C@H](OC(=O)CCNC(=O)c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC001436065160 1065155894 /nfs/dbraw/zinc/15/58/94/1065155894.db2.gz SUOXBZNYGOCXOG-SFHVURJKSA-N 0 0 450.304 4.554 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc1)c1ccccc1 ZINC001436066442 1065156286 /nfs/dbraw/zinc/15/62/86/1065156286.db2.gz GRFHDFSHZVSORF-UHFFFAOYSA-N 0 0 450.542 4.638 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001436065910 1065156316 /nfs/dbraw/zinc/15/63/16/1065156316.db2.gz YZKTVYDTRLDLLE-OAQYLSRUSA-N 0 0 457.361 4.946 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001436066143 1065156335 /nfs/dbraw/zinc/15/63/35/1065156335.db2.gz TWUFJSSOVFORPJ-UHFFFAOYSA-N 0 0 450.388 4.943 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cncc(-n2ccnn2)c1 ZINC001436065783 1065156431 /nfs/dbraw/zinc/15/64/31/1065156431.db2.gz RPIAQOCCVVCFJH-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CCC2CCOCC2)CCOC1 ZINC001360320166 1065156332 /nfs/dbraw/zinc/15/63/32/1065156332.db2.gz SXQLRRBERKYTDU-IQGLISFBSA-N 0 0 478.584 4.611 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC001436066260 1065156450 /nfs/dbraw/zinc/15/64/50/1065156450.db2.gz UFUYINFXRPGMRV-CQOVVYFZSA-N 0 0 453.739 4.638 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3(c4ccccc4)CC3)n2CCCC(F)(F)F)CCOC1 ZINC001360320534 1065157209 /nfs/dbraw/zinc/15/72/09/1065157209.db2.gz BSWGIEOZMMUSSY-HSZRJFAPSA-N 0 0 466.548 4.829 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC001436067001 1065157356 /nfs/dbraw/zinc/15/73/56/1065157356.db2.gz VPWQJOLXRXTKSB-QHCPKHFHSA-N 0 0 451.544 4.971 20 0 JJADRN O=C(CSc1ccc(F)c(F)c1)NCc1ccc(Cl)cc1I ZINC001436069289 1065158119 /nfs/dbraw/zinc/15/81/19/1065158119.db2.gz AZRSLJJIJLNPSX-UHFFFAOYSA-N 0 0 453.679 4.631 20 0 JJADRN C/C=C\COc1cccc(CC(=O)NCc2ccc(Cl)cc2I)c1 ZINC001436069279 1065158162 /nfs/dbraw/zinc/15/81/62/1065158162.db2.gz AOACZNKLOMKFKF-IHWYPQMZSA-N 0 0 455.723 4.758 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436070103 1065158837 /nfs/dbraw/zinc/15/88/37/1065158837.db2.gz PPGABNMLWWAGCR-ZHRRBRCNSA-N 0 0 458.967 4.740 20 0 JJADRN CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1F ZINC001436070941 1065159639 /nfs/dbraw/zinc/15/96/39/1065159639.db2.gz VFDPHQFAGGWQBM-HNNXBMFYSA-N 0 0 458.704 4.654 20 0 JJADRN Cc1c(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)nnn1CCOc1ccc(F)cc1 ZINC001436070523 1065159670 /nfs/dbraw/zinc/15/96/70/1065159670.db2.gz BCUUGJHNOLFGLT-IBGZPJMESA-N 0 0 450.436 4.537 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2c(F)cccc2N2CCCC2)CCOC1 ZINC001360322450 1065159964 /nfs/dbraw/zinc/15/99/64/1065159964.db2.gz XMPSXAQXHLUHMT-AREMUKBSSA-N 0 0 473.637 4.589 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001360323144 1065159995 /nfs/dbraw/zinc/15/99/95/1065159995.db2.gz VIVHYXDTYGFRAA-UHFFFAOYSA-N 0 0 459.384 4.589 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccco3)n2CCc2ccccc2C(F)(F)F)CCOC1 ZINC001360323475 1065160632 /nfs/dbraw/zinc/16/06/32/1065160632.db2.gz DVDJOKLRTCWLBT-HSZRJFAPSA-N 0 0 478.515 4.810 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(F)c3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360323345 1065160710 /nfs/dbraw/zinc/16/07/10/1065160710.db2.gz BBLCFQBIIOOZAF-JOCHJYFZSA-N 0 0 464.994 4.857 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2Cc2ccc(F)cn2)CCOC1 ZINC001360323396 1065160735 /nfs/dbraw/zinc/16/07/35/1065160735.db2.gz BWKJLVOSEVHLID-QHCPKHFHSA-N 0 0 493.505 4.556 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccco3)n2CCc2ccccc2C(F)(F)F)CCOC1 ZINC001360323476 1065160831 /nfs/dbraw/zinc/16/08/31/1065160831.db2.gz DVDJOKLRTCWLBT-QHCPKHFHSA-N 0 0 478.515 4.810 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360323674 1065161318 /nfs/dbraw/zinc/16/13/18/1065161318.db2.gz GPVBQRNDCGUIRE-UUOWRZLLSA-N 0 0 474.602 4.623 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c2)cc1 ZINC001360323819 1065161408 /nfs/dbraw/zinc/16/14/08/1065161408.db2.gz HRILAOICSWHGOJ-UHFFFAOYSA-N 0 0 452.576 4.855 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)sc1Cc1ccc(F)cc1F ZINC001436073108 1065161719 /nfs/dbraw/zinc/16/17/19/1065161719.db2.gz ISJSFSQQURIXDS-OAHLLOKOSA-N 0 0 459.493 4.760 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)CCOC1 ZINC001360324097 1065162291 /nfs/dbraw/zinc/16/22/91/1065162291.db2.gz LXSVRDRIVYBCOP-IGKIAQTJSA-N 0 0 481.616 4.929 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360323992 1065162301 /nfs/dbraw/zinc/16/23/01/1065162301.db2.gz KFHWCBVCAGHEGO-HXUWFJFHSA-N 0 0 497.484 4.889 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)ccn1 ZINC001436073500 1065162348 /nfs/dbraw/zinc/16/23/48/1065162348.db2.gz LHQWCUXIIMFUJZ-UHFFFAOYSA-N 0 0 458.715 4.914 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)c(F)c3)n2CC(C)(C)C(C)C)CCOC1 ZINC001360324244 1065162675 /nfs/dbraw/zinc/16/26/75/1065162675.db2.gz MXUBXNNVOVXNBI-XMMPIXPASA-N 0 0 450.574 4.916 20 0 JJADRN COc1cc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)ccc1Cl ZINC001436074739 1065162921 /nfs/dbraw/zinc/16/29/21/1065162921.db2.gz VPGWDEBEGQJAHR-UHFFFAOYSA-N 0 0 453.955 4.948 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360324490 1065163712 /nfs/dbraw/zinc/16/37/12/1065163712.db2.gz PCUXODQNBAVBFT-CZKLIYERSA-N 0 0 488.698 4.690 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360324489 1065163781 /nfs/dbraw/zinc/16/37/81/1065163781.db2.gz PCUXODQNBAVBFT-BKSMVKFGSA-N 0 0 488.698 4.690 20 0 JJADRN O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001436075553 1065163828 /nfs/dbraw/zinc/16/38/28/1065163828.db2.gz HCTFJQVUESRASB-IBGZPJMESA-N 0 0 451.311 4.541 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCC1 ZINC001436076206 1065164468 /nfs/dbraw/zinc/16/44/68/1065164468.db2.gz DYCCBHNAQPFEKX-LJQANCHMSA-N 0 0 457.596 4.814 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001436076121 1065164537 /nfs/dbraw/zinc/16/45/37/1065164537.db2.gz SNBZFKHLYGCKKE-OAQYLSRUSA-N 0 0 458.389 4.760 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Br)cc3)n2CCOC(C)(C)C)CCOC1 ZINC001360324756 1065164935 /nfs/dbraw/zinc/16/49/35/1065164935.db2.gz RQVSUTRWINGJLG-QHCPKHFHSA-N 0 0 495.462 4.533 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Br ZINC001436076695 1065165215 /nfs/dbraw/zinc/16/52/15/1065165215.db2.gz LSRKJKYCAIVBGR-IFMALSPDSA-N 0 0 455.396 4.973 20 0 JJADRN Cc1ccc(C2(CNC(=O)c3cnn(C(C)C)c3I)CCC2)cc1C ZINC001436077690 1065165270 /nfs/dbraw/zinc/16/52/70/1065165270.db2.gz DOEWIWPTQRCUKV-UHFFFAOYSA-N 0 0 451.352 4.537 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cscn3)n2CC(C)(C)c2cccc(F)c2)CCOC1 ZINC001360325305 1065166949 /nfs/dbraw/zinc/16/69/49/1065166949.db2.gz BNRWKCINSCPLGF-DEOSSOPVSA-N 0 0 473.618 4.529 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1)c1ccccc1 ZINC001436080569 1065167152 /nfs/dbraw/zinc/16/71/52/1065167152.db2.gz BMKJYEPPIFMKNA-CYBMUJFWSA-N 0 0 455.274 4.593 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360325547 1065167525 /nfs/dbraw/zinc/16/75/25/1065167525.db2.gz IAAHLFZXTSSLBA-LZCXECNNSA-N 0 0 472.605 4.718 20 0 JJADRN CCc1c(C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001436081487 1065167584 /nfs/dbraw/zinc/16/75/84/1065167584.db2.gz WTFYBFKVZNHMMT-QFIPXVFZSA-N 0 0 456.974 4.730 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC001436081083 1065167640 /nfs/dbraw/zinc/16/76/40/1065167640.db2.gz UDTCPYXFNIRGKC-WIYYLYMNSA-N 0 0 459.359 4.804 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2CCCCC2(F)F)CCOC1 ZINC001360325978 1065168102 /nfs/dbraw/zinc/16/81/02/1065168102.db2.gz PPMKPOVBGIAURH-YLJYHZDGSA-N 0 0 462.532 4.626 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2CCOc2ccc(Cl)cc2)CCOC1 ZINC001360325749 1065168167 /nfs/dbraw/zinc/16/81/67/1065168167.db2.gz LFFPPPVEGVXVAA-JOCHJYFZSA-N 0 0 484.975 4.533 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCc2ccccc2F)CCOC1 ZINC001360326290 1065168758 /nfs/dbraw/zinc/16/87/58/1065168758.db2.gz VXZVONYHSZYFCU-RLWLMLJZSA-N 0 0 456.606 4.883 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NC[C@H]1CCC(F)(F)C1 ZINC001436083031 1065168897 /nfs/dbraw/zinc/16/88/97/1065168897.db2.gz XVMLNRDELYUTTH-HNNXBMFYSA-N 0 0 451.311 4.796 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001436083763 1065168923 /nfs/dbraw/zinc/16/89/23/1065168923.db2.gz WECNSDBMSWMOAV-BLLLJJGKSA-N 0 0 453.789 4.505 20 0 JJADRN Cc1cccc2c1CCCN2C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC001360326647 1065169373 /nfs/dbraw/zinc/16/93/73/1065169373.db2.gz FRUYRDDWXZAIFU-UHFFFAOYSA-N 0 0 454.636 4.609 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@@H]3CCN(c4ccccc4OC(F)F)C3)cs2)cc1 ZINC001360326843 1065169396 /nfs/dbraw/zinc/16/93/96/1065169396.db2.gz LXKCPTOVSDSJCE-MRXNPFEDSA-N 0 0 459.518 4.819 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@H]3CCN(c4ccccc4OC(F)F)C3)cs2)cc1 ZINC001360326842 1065169447 /nfs/dbraw/zinc/16/94/47/1065169447.db2.gz LXKCPTOVSDSJCE-INIZCTEOSA-N 0 0 459.518 4.819 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc21 ZINC001436084058 1065169573 /nfs/dbraw/zinc/16/95/73/1065169573.db2.gz QTAMHWIJMMMDIF-SFHVURJKSA-N 0 0 455.352 4.612 20 0 JJADRN COc1ccc(S[C@@H](C)C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001436084121 1065169670 /nfs/dbraw/zinc/16/96/70/1065169670.db2.gz RVRVWSYVAMROFJ-HNNXBMFYSA-N 0 0 455.498 4.897 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360328319 1065170653 /nfs/dbraw/zinc/17/06/53/1065170653.db2.gz DDPFBNVBWFLSOE-SXWKCWPCSA-N 0 0 470.605 4.540 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)C1 ZINC001436085726 1065170892 /nfs/dbraw/zinc/17/08/92/1065170892.db2.gz AHTLVKPCQJDBFF-WFRMBSLRSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436086318 1065170901 /nfs/dbraw/zinc/17/09/01/1065170901.db2.gz MHRPNHFYLDVXCW-GOEBONIOSA-N 0 0 456.121 4.648 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC3CCOCC3)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001360328327 1065171261 /nfs/dbraw/zinc/17/12/61/1065171261.db2.gz DFBRJHABVZNKIB-RXFWQSSRSA-N 0 0 474.621 4.514 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC001360328325 1065171286 /nfs/dbraw/zinc/17/12/86/1065171286.db2.gz DFBRJHABVZNKIB-FQRUVTKNSA-N 0 0 474.621 4.514 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cc(Br)cc(I)c2)[C@H]1C ZINC001436087732 1065171638 /nfs/dbraw/zinc/17/16/38/1065171638.db2.gz TXOIDXZAQCLYSG-GRYCIOLGSA-N 0 0 450.158 4.856 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)F)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CCOC1 ZINC001360329343 1065171824 /nfs/dbraw/zinc/17/18/24/1065171824.db2.gz WBUWQQYAQHTHIZ-LYHRCORUSA-N 0 0 452.521 4.668 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2Cc2c(F)cc(F)c(F)c2F)CCOC1 ZINC001360329566 1065172257 /nfs/dbraw/zinc/17/22/57/1065172257.db2.gz ZZKCVWGGTPVNRF-DEOSSOPVSA-N 0 0 484.538 4.940 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)o2)c(Br)c1 ZINC001436089779 1065172785 /nfs/dbraw/zinc/17/27/85/1065172785.db2.gz XKSWJAJZRBZOPL-AWEZNQCLSA-N 0 0 457.162 4.934 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cc(-c2ccc(Br)o2)ncn1 ZINC001436090656 1065173355 /nfs/dbraw/zinc/17/33/55/1065173355.db2.gz MYQHTJJDRKLBDM-UHFFFAOYSA-N 0 0 454.284 4.511 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360330216 1065173634 /nfs/dbraw/zinc/17/36/34/1065173634.db2.gz INPOJDLENHJYQK-SXOMAYOGSA-N 0 0 488.648 4.814 20 0 JJADRN CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC001436091660 1065174070 /nfs/dbraw/zinc/17/40/70/1065174070.db2.gz ZXPRKZXIJZHRII-OAQYLSRUSA-N 0 0 450.988 4.525 20 0 JJADRN Cn1nccc1[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001436091913 1065174101 /nfs/dbraw/zinc/17/41/01/1065174101.db2.gz VGQHELKOFDAVSL-GMAHTHKFSA-N 0 0 450.970 4.689 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC2CCC(F)(F)CC2)CCOC1 ZINC001360330482 1065174371 /nfs/dbraw/zinc/17/43/71/1065174371.db2.gz KMEZBBUSZZMVEV-QHCPKHFHSA-N 0 0 470.605 4.538 20 0 JJADRN Cc1ccc(NC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC001436091976 1065174735 /nfs/dbraw/zinc/17/47/35/1065174735.db2.gz CSKGVUVUZVHMSA-UHFFFAOYSA-N 0 0 455.558 4.907 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOC(C)(C)C)n2Cc2csc3ccccc23)CCOC1 ZINC001360331092 1065174880 /nfs/dbraw/zinc/17/48/80/1065174880.db2.gz QMACPANILBHWFH-RUZDIDTESA-N 0 0 472.655 4.833 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3ncc(Br)cn3)ccc2OC(F)F)cc1 ZINC001436093241 1065175655 /nfs/dbraw/zinc/17/56/55/1065175655.db2.gz WDVHCQNCAJYPDU-UHFFFAOYSA-N 0 0 450.239 4.768 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CCOC(C)(C)C)CCOC1 ZINC001360331238 1065175617 /nfs/dbraw/zinc/17/56/17/1065175617.db2.gz RYNRDPSTNOXDRM-RUZDIDTESA-N 0 0 462.610 4.688 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)CC1 ZINC001436092775 1065175685 /nfs/dbraw/zinc/17/56/85/1065175685.db2.gz QKCMNNRPTWHRAB-UHFFFAOYSA-N 0 0 455.967 4.720 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOC1 ZINC001360331539 1065176344 /nfs/dbraw/zinc/17/63/44/1065176344.db2.gz WGMOSUUGCGFMIZ-SFYKDHMMSA-N 0 0 490.611 4.939 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)c1ccc(-c2ccco2)nc1C)c1ccc(Br)cc1C ZINC001436095888 1065176921 /nfs/dbraw/zinc/17/69/21/1065176921.db2.gz KGKUDUNBLDUJHY-HNNXBMFYSA-N 0 0 457.324 4.929 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001436095115 1065176934 /nfs/dbraw/zinc/17/69/34/1065176934.db2.gz KJHVMWLELCAJFW-AWEZNQCLSA-N 0 0 450.495 4.922 20 0 JJADRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001360333258 1065178134 /nfs/dbraw/zinc/17/81/34/1065178134.db2.gz HHBKKMBNBVPGHC-OFNKIYASSA-N 0 0 450.476 4.579 20 0 JJADRN O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cnnn1-c1ccccc1Br ZINC001360332815 1065178175 /nfs/dbraw/zinc/17/81/75/1065178175.db2.gz BZJUEZDISJOQBQ-KHPPLWFESA-N 0 0 452.337 4.909 20 0 JJADRN Cc1ccc(C(=O)c2ccsc2NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC001436098678 1065178378 /nfs/dbraw/zinc/17/83/78/1065178378.db2.gz HPFFVKAGTMWMDG-UHFFFAOYSA-N 0 0 456.589 4.569 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001436098017 1065178391 /nfs/dbraw/zinc/17/83/91/1065178391.db2.gz LPCIIWXXXHNNSQ-UHFFFAOYSA-N 0 0 454.389 4.537 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc3ccc(Cl)nc3s2)[C@@H]1c1ccc(OC)cc1 ZINC001436099094 1065179087 /nfs/dbraw/zinc/17/90/87/1065179087.db2.gz GDGLUEZRACYVDU-BEFAXECRSA-N 0 0 458.971 4.682 20 0 JJADRN CCc1cccc2c(CC(=O)N(c3ccc(Br)cc3C)[C@H](C)C(=O)OC)c[nH]c21 ZINC001436099810 1065179124 /nfs/dbraw/zinc/17/91/24/1065179124.db2.gz YBIQFIKONNQGBW-OAHLLOKOSA-N 0 0 457.368 4.938 20 0 JJADRN CC(C)N(C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1cnc2ccccc2c1 ZINC001436099171 1065179141 /nfs/dbraw/zinc/17/91/41/1065179141.db2.gz JRGNGDXYJBNBPG-UHFFFAOYSA-N 0 0 455.356 4.951 20 0 JJADRN Cc1c(Br)ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1F ZINC001436099837 1065179958 /nfs/dbraw/zinc/17/99/58/1065179958.db2.gz AWPDMAQFDMBVAR-UHFFFAOYSA-N 0 0 451.361 4.863 20 0 JJADRN CN(C(=O)c1cccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)c1)c1ccccc1 ZINC001436100004 1065180023 /nfs/dbraw/zinc/18/00/23/1065180023.db2.gz DADNKOZWQCRGHT-UHFFFAOYSA-N 0 0 450.542 4.638 20 0 JJADRN NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)=NN1c1ccccc1 ZINC001436101182 1065180582 /nfs/dbraw/zinc/18/05/82/1065180582.db2.gz OPNVXPPUJUEHFU-NRFANRHFSA-N 0 0 453.329 4.719 20 0 JJADRN Cc1c(Br)ccc(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1F ZINC001436101168 1065180601 /nfs/dbraw/zinc/18/06/01/1065180601.db2.gz ZHRGYGDVXPPWJR-NSHDSACASA-N 0 0 456.109 4.724 20 0 JJADRN NC(=O)[C@H]1CC(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)=NN1c1ccccc1 ZINC001436101193 1065180725 /nfs/dbraw/zinc/18/07/25/1065180725.db2.gz OPNVXPPUJUEHFU-OAQYLSRUSA-N 0 0 453.329 4.719 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(F)(F)c2ccccc2)CCOC1 ZINC001360335340 1065181301 /nfs/dbraw/zinc/18/13/01/1065181301.db2.gz CQSCMZWUSGHXDF-YADARESESA-N 0 0 462.585 4.983 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001360335386 1065181351 /nfs/dbraw/zinc/18/13/51/1065181351.db2.gz DECBIUZBZQOMNO-XMERXJNXSA-N 0 0 458.622 4.918 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001436102261 1065181332 /nfs/dbraw/zinc/18/13/32/1065181332.db2.gz LSLNTBMQCZDCCL-RRPUWOKSSA-N 0 0 457.615 4.586 20 0 JJADRN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001436102259 1065181405 /nfs/dbraw/zinc/18/14/05/1065181405.db2.gz LSLNTBMQCZDCCL-LSWJPFSZSA-N 0 0 457.615 4.586 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H]3C)n2CCSCc2ccccc2F)CCOC1 ZINC001360335587 1065182726 /nfs/dbraw/zinc/18/27/26/1065182726.db2.gz GSAHIOMGCAMPNW-XLNZFTOWSA-N 0 0 462.635 4.626 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2Cc2cscc2C(F)(F)F)CCOC1 ZINC001360335592 1065182733 /nfs/dbraw/zinc/18/27/33/1065182733.db2.gz GSKYSLSIIYWGRC-KKSFZXQISA-N 0 0 472.577 4.930 20 0 JJADRN Cc1nc(CCC(=O)Nc2cccc(N3CCC3=O)c2)oc1-c1ccc(Br)cc1 ZINC001436108237 1065183711 /nfs/dbraw/zinc/18/37/11/1065183711.db2.gz CECYCYJXWYFJPW-UHFFFAOYSA-N 0 0 454.324 4.721 20 0 JJADRN Cc1c(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)nnn1-c1ccc(F)c(Cl)c1 ZINC001436107267 1065183724 /nfs/dbraw/zinc/18/37/24/1065183724.db2.gz MSKFDKVWWGUCME-MRXNPFEDSA-N 0 0 454.767 4.970 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCOc2ccc(Cl)cc2)CCOC1 ZINC001360336076 1065184045 /nfs/dbraw/zinc/18/40/45/1065184045.db2.gz MZPWUVRPRWFHSC-DFBJGRDBSA-N 0 0 477.049 4.924 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCOC2CCCCC2)CCOC1 ZINC001360336255 1065184117 /nfs/dbraw/zinc/18/41/17/1065184117.db2.gz PLORFDOGFNBPTC-HFZDXXHNSA-N 0 0 462.679 4.931 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC001436108493 1065184313 /nfs/dbraw/zinc/18/43/13/1065184313.db2.gz CPYMGZKSMNRKBC-UHFFFAOYSA-N 0 0 452.873 4.950 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCc2cc(F)cc(F)c2)CCOC1 ZINC001360336430 1065184764 /nfs/dbraw/zinc/18/47/64/1065184764.db2.gz RWNYYVHUIYSCFJ-IQGLISFBSA-N 0 0 462.585 4.712 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCc2nc(C(F)(F)F)cs2)CCOC1 ZINC001360336400 1065184816 /nfs/dbraw/zinc/18/48/16/1065184816.db2.gz RMWVUKKPKLADHF-GCKMJXCFSA-N 0 0 487.592 4.519 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2nc(C(F)(F)F)cs2)CCOC1 ZINC001360336402 1065184827 /nfs/dbraw/zinc/18/48/27/1065184827.db2.gz RMWVUKKPKLADHF-WHSLLNHNSA-N 0 0 487.592 4.519 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2CCc2ccc(Br)s2)CCOC1 ZINC001360336460 1065184862 /nfs/dbraw/zinc/18/48/62/1065184862.db2.gz SHYPFTSTSWATOA-JTSKRJEESA-N 0 0 497.503 4.868 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)COc1ccc2ccccc2c1 ZINC001436109454 1065184972 /nfs/dbraw/zinc/18/49/72/1065184972.db2.gz CFFSZBHDNAEGCO-INIZCTEOSA-N 0 0 459.327 4.961 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)CCOC1 ZINC001360336650 1065185454 /nfs/dbraw/zinc/18/54/54/1065185454.db2.gz VWWXPJUFQXWEJB-YZZKKUAISA-N 0 0 482.547 4.543 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@H](c4ccccc4)C3)n2CCCC(F)(F)F)CCOC1 ZINC001360336662 1065185473 /nfs/dbraw/zinc/18/54/73/1065185473.db2.gz VYKVSVYEIDMZIP-UGKGYDQZSA-N 0 0 452.521 4.655 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N[C@H](C)CCc2ccc(I)cc2)ccn1 ZINC001436110273 1065185547 /nfs/dbraw/zinc/18/55/47/1065185547.db2.gz FAXRUQZYIHWFPJ-CABCVRRESA-N 0 0 452.336 4.615 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)CCOC1 ZINC001360336649 1065185643 /nfs/dbraw/zinc/18/56/43/1065185643.db2.gz VWWXPJUFQXWEJB-PMAPCBKXSA-N 0 0 482.547 4.543 20 0 JJADRN Cc1c(NC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)cccc1NC(=O)N(C)C ZINC001436110752 1065186154 /nfs/dbraw/zinc/18/61/54/1065186154.db2.gz OEIYEPMPRCUUIN-UEXGIBASSA-N 0 0 458.603 4.843 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOC1 ZINC001360338303 1065186919 /nfs/dbraw/zinc/18/69/19/1065186919.db2.gz BEPGGQOGOXDERQ-IECBHUPTSA-N 0 0 484.632 4.784 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1COc2ccc(Br)cc21 ZINC001436111406 1065186935 /nfs/dbraw/zinc/18/69/35/1065186935.db2.gz QJNRNDJOASTMMA-ZFWWWQNUSA-N 0 0 456.167 4.627 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](COc4ccccc4)C3)n2CC(C)(C)C(C)C)CCOC1 ZINC001360338708 1065187424 /nfs/dbraw/zinc/18/74/24/1065187424.db2.gz IYNGUXGLJRRMEF-WXVAWEFUSA-N 0 0 470.658 4.906 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](COc4ccccc4)C3)n2CC(C)(C)C(C)C)CCOC1 ZINC001360338705 1065187460 /nfs/dbraw/zinc/18/74/60/1065187460.db2.gz IYNGUXGLJRRMEF-AJTFRIOCSA-N 0 0 470.658 4.906 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)s1 ZINC001436112865 1065187534 /nfs/dbraw/zinc/18/75/34/1065187534.db2.gz YAFZIUANKGMNLF-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN Cc1nc(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)nn1-c1ccccc1C(C)C ZINC001436111902 1065187548 /nfs/dbraw/zinc/18/75/48/1065187548.db2.gz UJIJKYHDNGIGBP-UHFFFAOYSA-N 0 0 453.974 4.679 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)CCc2ccc(I)cc2)cnn1CCC(C)C ZINC001436113546 1065188207 /nfs/dbraw/zinc/18/82/07/1065188207.db2.gz ORPSLRWBJXUHPD-HNNXBMFYSA-N 0 0 453.368 4.593 20 0 JJADRN C[C@H](CC(=O)NCc1cccc(CN2C(=O)CSC2=O)c1)c1ccc(C(F)(F)F)cc1 ZINC001545895574 1065188215 /nfs/dbraw/zinc/18/82/15/1065188215.db2.gz ZTUFBZMTQKJQSZ-CQSZACIVSA-N 0 0 450.482 4.711 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc(Cl)c1F ZINC001436113328 1065188222 /nfs/dbraw/zinc/18/82/22/1065188222.db2.gz VWIWHDGYJAUJPI-UHFFFAOYSA-N 0 0 458.902 4.681 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1 ZINC001360339895 1065189061 /nfs/dbraw/zinc/18/90/61/1065189061.db2.gz LGJFAJLBEITUMH-UHFFFAOYSA-N 0 0 450.474 4.702 20 0 JJADRN Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1NC(=O)c1ccccc1F ZINC001436114631 1065189491 /nfs/dbraw/zinc/18/94/91/1065189491.db2.gz DFGVSUQSDSQNJX-UHFFFAOYSA-N 0 0 450.485 4.961 20 0 JJADRN O=C(NCC1(N2CCOCC2)CC1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001436115509 1065189588 /nfs/dbraw/zinc/18/95/88/1065189588.db2.gz JVRGRPTUOWBVTM-UHFFFAOYSA-N 0 0 454.489 4.590 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCOCC3)s2)cc1 ZINC001436117240 1065190967 /nfs/dbraw/zinc/19/09/67/1065190967.db2.gz ZXLLFNRRZWYLMQ-UHFFFAOYSA-N 0 0 454.523 4.584 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccnc(N2CCC[C@H](C)C2)c1)C1CC1 ZINC001436117060 1065190988 /nfs/dbraw/zinc/19/09/88/1065190988.db2.gz JIQZPIPAHPZBOB-GAJHUEQPSA-N 0 0 455.986 4.880 20 0 JJADRN CCc1c(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cnn1-c1cccc(C)c1 ZINC001436118400 1065191531 /nfs/dbraw/zinc/19/15/31/1065191531.db2.gz HGRGYKRCHHHNNK-UHFFFAOYSA-N 0 0 450.340 4.944 20 0 JJADRN CCOc1cc(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)cc(OCC)c1OCC ZINC001436117628 1065191544 /nfs/dbraw/zinc/19/15/44/1065191544.db2.gz AVWCRYOTKZYEQN-OAQYLSRUSA-N 0 0 455.551 4.621 20 0 JJADRN CC(C)c1c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 ZINC001436119007 1065192381 /nfs/dbraw/zinc/19/23/81/1065192381.db2.gz KAGLPDBJUDEWAF-UHFFFAOYSA-N 0 0 452.363 4.958 20 0 JJADRN CC(C)c1c(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cnn1-c1ccccc1Cl ZINC001436118953 1065192426 /nfs/dbraw/zinc/19/24/26/1065192426.db2.gz JBJWEMOWABHMJB-UHFFFAOYSA-N 0 0 453.905 4.910 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@H]3c3ccsc3)n2CCSC(F)(F)F)CCOC1 ZINC001360343226 1065192882 /nfs/dbraw/zinc/19/28/82/1065192882.db2.gz IQZIDZJSXHOHAI-LPHOPBHVSA-N 0 0 476.590 4.975 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3c3ccsc3)n2CCSC(F)(F)F)CCOC1 ZINC001360343228 1065192955 /nfs/dbraw/zinc/19/29/55/1065192955.db2.gz IQZIDZJSXHOHAI-VQIMIIECSA-N 0 0 476.590 4.975 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCC3(C)C)n2CCCCOc2ccc(F)cc2)CCOC1 ZINC001360343143 1065192977 /nfs/dbraw/zinc/19/29/77/1065192977.db2.gz HPWIPOBAWXSQQG-RUZDIDTESA-N 0 0 460.594 4.696 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc(Cl)n1 ZINC001360344520 1065194204 /nfs/dbraw/zinc/19/42/04/1065194204.db2.gz GBMOZGMHWSVVHY-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN COC(=O)c1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 ZINC001436121284 1065194986 /nfs/dbraw/zinc/19/49/86/1065194986.db2.gz PHNFTRKNPOMBKA-IBGZPJMESA-N 0 0 450.560 4.554 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001436121310 1065195096 /nfs/dbraw/zinc/19/50/96/1065195096.db2.gz PUENBCSYWZSVKD-AWRGLXIESA-N 0 0 456.380 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC001436121812 1065195616 /nfs/dbraw/zinc/19/56/16/1065195616.db2.gz URLUWOGXJGVVKQ-UHFFFAOYSA-N 0 0 459.331 4.614 20 0 JJADRN Cc1c(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)nnn1-c1ccc(OC(F)F)cc1 ZINC001436122395 1065196446 /nfs/dbraw/zinc/19/64/46/1065196446.db2.gz HTTLOTXNLURERT-UHFFFAOYSA-N 0 0 455.248 4.523 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC001436123354 1065197068 /nfs/dbraw/zinc/19/70/68/1065197068.db2.gz GRFVXBIQWCTPFV-SNVBAGLBSA-N 0 0 454.246 4.673 20 0 JJADRN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001436123062 1065197166 /nfs/dbraw/zinc/19/71/66/1065197166.db2.gz MGHLUQAMFXAIIG-GOSISDBHSA-N 0 0 457.415 4.972 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360350415 1065197065 /nfs/dbraw/zinc/19/70/65/1065197065.db2.gz UQBLNGXCDHZMLS-OFNKIYASSA-N 0 0 465.063 4.598 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001360350118 1065197153 /nfs/dbraw/zinc/19/71/53/1065197153.db2.gz PLJHWWMBCBYAGB-REWPJTCUSA-N 0 0 483.053 4.737 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2cccc(Cl)c2)CCOC1 ZINC001360350416 1065197189 /nfs/dbraw/zinc/19/71/89/1065197189.db2.gz UQBLNGXCDHZMLS-REWPJTCUSA-N 0 0 465.063 4.598 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCc3cc(F)c(Cl)cc3F)[nH]c(=O)c2c1C ZINC001436123748 1065197721 /nfs/dbraw/zinc/19/77/21/1065197721.db2.gz KBBZIXQZSVFWGT-SNVBAGLBSA-N 0 0 457.955 4.883 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001436123500 1065197809 /nfs/dbraw/zinc/19/78/09/1065197809.db2.gz PSNPFZKSZJPKHH-OAQYLSRUSA-N 0 0 454.567 4.653 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)OCc1ccn(-c2ccc(F)cc2F)n1 ZINC001436123921 1065197820 /nfs/dbraw/zinc/19/78/20/1065197820.db2.gz LPKAVNIGHVBWTP-UHFFFAOYSA-N 0 0 457.658 4.689 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1cccc(Br)c1 ZINC001436124663 1065198438 /nfs/dbraw/zinc/19/84/38/1065198438.db2.gz VJEWJKWFTHYEQC-HKUYNNGSSA-N 0 0 459.384 4.718 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3sc4cccc(F)c4c3Cl)c2)n1 ZINC001436124107 1065198458 /nfs/dbraw/zinc/19/84/58/1065198458.db2.gz UVRFCVKFDUONTQ-UHFFFAOYSA-N 0 0 457.914 4.986 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001360351312 1065198559 /nfs/dbraw/zinc/19/85/59/1065198559.db2.gz MFBRKYYXRGMHTJ-UHFFFAOYSA-N 0 0 459.999 4.777 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001360353293 1065201140 /nfs/dbraw/zinc/20/11/40/1065201140.db2.gz JJRIFDLEWYABKA-UHFFFAOYSA-N 0 0 458.896 4.603 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001360354040 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ZINC001436130585 1065203137 /nfs/dbraw/zinc/20/31/37/1065203137.db2.gz PHKQCCNUDQVPEU-ONNFQVAWSA-N 0 0 452.484 4.600 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c2ccccc21 ZINC001436130090 1065203154 /nfs/dbraw/zinc/20/31/54/1065203154.db2.gz XLBKHLKMYMOPPK-GOSISDBHSA-N 0 0 453.292 4.553 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC001436130803 1065203592 /nfs/dbraw/zinc/20/35/92/1065203592.db2.gz SEROJUBXYIWIEO-UHFFFAOYSA-N 0 0 458.412 4.927 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1NC(=O)c1ccccc1F ZINC001436130648 1065203644 /nfs/dbraw/zinc/20/36/44/1065203644.db2.gz PRDXBZTULACOJJ-UHFFFAOYSA-N 0 0 451.429 4.734 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)cn1 ZINC001360354548 1065203762 /nfs/dbraw/zinc/20/37/62/1065203762.db2.gz SCPYZPQGIORHRY-IBGZPJMESA-N 0 0 476.556 4.819 20 0 JJADRN CO[C@@H]1CCC[C@@H](C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)C1 ZINC001436131627 1065204303 /nfs/dbraw/zinc/20/43/03/1065204303.db2.gz KHFOJSQUULVJDW-YVWKXTFCSA-N 0 0 456.446 4.757 20 0 JJADRN O=C(OCc1cccc(N2CCCC2=O)c1)c1cc(Br)ccc1Br ZINC001436131490 1065204367 /nfs/dbraw/zinc/20/43/67/1065204367.db2.gz YFMPPKQJMMOBOE-UHFFFAOYSA-N 0 0 453.130 4.695 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)/C=C\Sc1cc(F)ccc1F ZINC001436132615 1065204865 /nfs/dbraw/zinc/20/48/65/1065204865.db2.gz QQNKNIIXPIZTSM-FPLPWBNLSA-N 0 0 456.308 4.535 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CCCCc2ccc(Cl)cc2)c1 ZINC001360355218 1065204877 /nfs/dbraw/zinc/20/48/77/1065204877.db2.gz OTQCWNJTSDDZJN-JOCHJYFZSA-N 0 0 456.970 4.859 20 0 JJADRN CC(C)CN1C[C@@H]2CN(C(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)CCN2C1=O ZINC001436133017 1065205221 /nfs/dbraw/zinc/20/52/21/1065205221.db2.gz RSWKCJIWEXLITA-ATYSKIETSA-N 0 0 464.437 4.796 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cn1 ZINC001360355759 1065205248 /nfs/dbraw/zinc/20/52/48/1065205248.db2.gz FBJAJUCMKCZVRK-RXVVDRJESA-N 0 0 484.645 4.516 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC001360356068 1065205789 /nfs/dbraw/zinc/20/57/89/1065205789.db2.gz NBSSMOUEWHFLFU-RTHCMUBDSA-N 0 0 467.639 4.711 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(Cl)s2)cc1 ZINC001360355959 1065205873 /nfs/dbraw/zinc/20/58/73/1065205873.db2.gz KHDTWQQBDHSSLQ-UHFFFAOYSA-N 0 0 457.003 4.865 20 0 JJADRN COC1(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)CCC(C)CC1 ZINC001436134193 1065205834 /nfs/dbraw/zinc/20/58/34/1065205834.db2.gz AHKAMIGSFFYAPZ-UHFFFAOYSA-N 0 0 455.258 4.635 20 0 JJADRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC001436134222 1065206003 /nfs/dbraw/zinc/20/60/03/1065206003.db2.gz HLCXBCUCENAPNK-HXUWFJFHSA-N 0 0 456.384 4.711 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1CC ZINC001436135162 1065206376 /nfs/dbraw/zinc/20/63/76/1065206376.db2.gz MHNFJOMUAMASFL-UHFFFAOYSA-N 0 0 454.958 4.636 20 0 JJADRN COc1cccc(CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c1Cl ZINC001436135939 1065207092 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COCCN(CCOc1ccc(F)cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001360358391 1065210565 /nfs/dbraw/zinc/21/05/65/1065210565.db2.gz FFZQHUYWPDMIKW-UHFFFAOYSA-N 0 0 454.976 4.761 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCCCO2)cn1 ZINC001360358174 1065210572 /nfs/dbraw/zinc/21/05/72/1065210572.db2.gz ZJXXKBHUOOBMLO-QFIPXVFZSA-N 0 0 470.017 4.758 20 0 JJADRN C[C@@H](CC(=O)OCc1cc(Br)c(Cl)c(Br)c1)c1cnn(C)c1 ZINC001436141712 1065211405 /nfs/dbraw/zinc/21/14/05/1065211405.db2.gz VBRBNNDXAMPEIP-VIFPVBQESA-N 0 0 450.558 4.836 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Nc3ccn(C)n3)nnc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001360359337 1065211476 /nfs/dbraw/zinc/21/14/76/1065211476.db2.gz AWRNGCPUISEVLY-UHFFFAOYSA-N 0 0 495.628 4.705 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)cn1 ZINC001360359414 1065211527 /nfs/dbraw/zinc/21/15/27/1065211527.db2.gz CPKXLVPUZMNLFB-HXUWFJFHSA-N 0 0 459.953 4.789 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1Cl ZINC001436145174 1065212468 /nfs/dbraw/zinc/21/24/68/1065212468.db2.gz RLVJHNSCESGKDX-CRAIPNDOSA-N 0 0 452.979 4.622 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4ccc(Br)s4)nn3)c2)cn1 ZINC001436145568 1065213157 /nfs/dbraw/zinc/21/31/57/1065213157.db2.gz LRUUVDMHHAARRX-UHFFFAOYSA-N 0 0 458.316 4.760 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)c2nccs2)c1 ZINC001360360230 1065213122 /nfs/dbraw/zinc/21/31/22/1065213122.db2.gz QTZGXKQVPNOCPR-LJQANCHMSA-N 0 0 462.623 4.948 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001360360256 1065213680 /nfs/dbraw/zinc/21/36/80/1065213680.db2.gz RIGCBEDJZPWZMO-NVQXNPDNSA-N 0 0 463.626 4.749 20 0 JJADRN O=C(NC1CCC(C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)CC1)C1CC1 ZINC001436147297 1065213739 /nfs/dbraw/zinc/21/37/39/1065213739.db2.gz IMKKRTCJNFUWCB-UHFFFAOYSA-N 0 0 450.764 4.674 20 0 JJADRN CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)c1nc2c(cccc2Cl)s1 ZINC001436147517 1065213787 /nfs/dbraw/zinc/21/37/87/1065213787.db2.gz CSESFOFMHXYYRN-LLVKDONJSA-N 0 0 450.745 4.801 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC=CCC2)c1 ZINC001360360257 1065213784 /nfs/dbraw/zinc/21/37/84/1065213784.db2.gz RIHBGBFDKFFAAI-FQEVSTJZSA-N 0 0 460.582 4.705 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(Cl)cc2Cl)cn1 ZINC001360360268 1065213854 /nfs/dbraw/zinc/21/38/54/1065213854.db2.gz RSDICCNOGRGKKR-UHFFFAOYSA-N 0 0 458.353 4.960 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)cc1 ZINC001360360335 1065213891 /nfs/dbraw/zinc/21/38/91/1065213891.db2.gz SXGKIMHOQFVDSQ-QFIPXVFZSA-N 0 0 467.614 4.952 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC001360360667 1065214386 /nfs/dbraw/zinc/21/43/86/1065214386.db2.gz YHKRSOJLILNBMS-IIBYNOLFSA-N 0 0 457.525 4.836 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)Nc3cccc(CN(C)Cc4cscn4)c3)cc2)C[C@H](C)O1 ZINC001360360826 1065214400 /nfs/dbraw/zinc/21/44/00/1065214400.db2.gz XOFZPYFZAGRCMN-OALUTQOASA-N 0 0 450.608 4.641 20 0 JJADRN C[C@H](CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)Oc1ccccc1 ZINC001360360743 1065214427 /nfs/dbraw/zinc/21/44/27/1065214427.db2.gz VVQWDYRRLXOSRC-CYBMUJFWSA-N 0 0 451.363 4.766 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ncnn2C(C)(C)C)c1 ZINC001360360438 1065214458 /nfs/dbraw/zinc/21/44/58/1065214458.db2.gz URWOZJVXSVHTFR-UHFFFAOYSA-N 0 0 453.635 4.685 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)s1 ZINC001436149671 1065214875 /nfs/dbraw/zinc/21/48/75/1065214875.db2.gz ZPKGYMJQOCHSGM-UHFFFAOYSA-N 0 0 459.467 4.630 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360360948 1065215014 /nfs/dbraw/zinc/21/50/14/1065215014.db2.gz ANGJPRBDPZUNLE-OAQYLSRUSA-N 0 0 469.630 4.875 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001436149905 1065215466 /nfs/dbraw/zinc/21/54/66/1065215466.db2.gz FMOBQJUNIKRJTH-CYBMUJFWSA-N 0 0 459.461 4.932 20 0 JJADRN C[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC001436149931 1065215516 /nfs/dbraw/zinc/21/55/16/1065215516.db2.gz GZWODVHUUJXGJN-INIZCTEOSA-N 0 0 455.498 4.939 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360361318 1065215559 /nfs/dbraw/zinc/21/55/59/1065215559.db2.gz LSHAGGGJPABOSQ-UHFFFAOYSA-N 0 0 458.393 4.999 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360361352 1065215593 /nfs/dbraw/zinc/21/55/93/1065215593.db2.gz MTBRUVIYOCWYKG-GOSISDBHSA-N 0 0 460.538 4.551 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360361518 1065216243 /nfs/dbraw/zinc/21/62/43/1065216243.db2.gz SAVITHJXLDMOGV-UHFFFAOYSA-N 0 0 458.393 4.999 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC001436151126 1065216225 /nfs/dbraw/zinc/21/62/25/1065216225.db2.gz BYDQTJZALMNYHA-KRWDZBQOSA-N 0 0 459.474 4.763 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 ZINC001436150986 1065216310 /nfs/dbraw/zinc/21/63/10/1065216310.db2.gz OLKLEXGCBTTXKC-KDOFPFPSSA-N 0 0 456.384 4.919 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360361933 1065216501 /nfs/dbraw/zinc/21/65/01/1065216501.db2.gz FEMBOGLPTZMXRQ-JOCHJYFZSA-N 0 0 499.656 4.849 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001360361870 1065216551 /nfs/dbraw/zinc/21/65/51/1065216551.db2.gz CHLZSGSIVPSLHP-PGRDOPGGSA-N 0 0 461.006 4.810 20 0 JJADRN CC(C)OC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CC1 ZINC001360361965 1065216578 /nfs/dbraw/zinc/21/65/78/1065216578.db2.gz FSMQYYDBTKVBDS-UHFFFAOYSA-N 0 0 476.065 4.938 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1C ZINC001436151142 1065216678 /nfs/dbraw/zinc/21/66/78/1065216678.db2.gz FYXSZOKDDZTBGD-UHFFFAOYSA-N 0 0 456.344 4.645 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C(F)(F)c2cccc(Br)c2)n1 ZINC001436151730 1065216690 /nfs/dbraw/zinc/21/66/90/1065216690.db2.gz GRDWVQDPBLVWTD-AWEZNQCLSA-N 0 0 459.312 4.538 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001360362176 1065217807 /nfs/dbraw/zinc/21/78/07/1065217807.db2.gz MRMUQWDTPHIZGQ-SFHVURJKSA-N 0 0 485.373 4.526 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360362173 1065217872 /nfs/dbraw/zinc/21/78/72/1065217872.db2.gz MRMUQWDTPHIZGQ-GOSISDBHSA-N 0 0 485.373 4.526 20 0 JJADRN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001436153650 1065217756 /nfs/dbraw/zinc/21/77/56/1065217756.db2.gz DXACDVYFYOMTST-NSHDSACASA-N 0 0 458.814 4.795 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC001436154490 1065218371 /nfs/dbraw/zinc/21/83/71/1065218371.db2.gz ONDPCLZJOZRXNK-QGZVFWFLSA-N 0 0 455.407 4.574 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001436155029 1065218758 /nfs/dbraw/zinc/21/87/58/1065218758.db2.gz OXNIKRBGSXIDBF-TVNLJHNWSA-N 0 0 450.251 4.502 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001360362914 1065218874 /nfs/dbraw/zinc/21/88/74/1065218874.db2.gz ZDVLXBWLBDMNOU-BVZFJXPGSA-N 0 0 489.016 4.966 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C2)s1 ZINC001436156467 1065219350 /nfs/dbraw/zinc/21/93/50/1065219350.db2.gz AICTYARFLKVBMJ-LLVKDONJSA-N 0 0 451.372 4.542 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)ncc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363484 1065219397 /nfs/dbraw/zinc/21/93/97/1065219397.db2.gz CXIFFXWGZQRTDA-GFCCVEGCSA-N 0 0 459.731 4.636 20 0 JJADRN COc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2OC)c(I)c1 ZINC001436156722 1065219398 /nfs/dbraw/zinc/21/93/98/1065219398.db2.gz RMVCYWAMIIRWMB-UHFFFAOYSA-N 0 0 452.075 4.868 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1cc(C)c(Br)c(C)c1)c1cccc(Br)c1 ZINC001436158988 1065221018 /nfs/dbraw/zinc/22/10/18/1065221018.db2.gz UVWRBRIVGPRZMP-QGZVFWFLSA-N 0 0 454.162 4.644 20 0 JJADRN Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)o1 ZINC001436158663 1065221081 /nfs/dbraw/zinc/22/10/81/1065221081.db2.gz VZNTVUWIRVBMBY-UHFFFAOYSA-N 0 0 450.919 4.987 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)NCc2nc3cc(Br)ccc3n2CC)c(C)n1 ZINC001436160180 1065221541 /nfs/dbraw/zinc/22/15/41/1065221541.db2.gz FVLCPFHHYAOBRR-ZDUSSCGKSA-N 0 0 458.404 4.598 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2sc3cccc(F)c3c2Cl)cc1 ZINC001436159819 1065221578 /nfs/dbraw/zinc/22/15/78/1065221578.db2.gz ITBWPQHSQHUVNH-UHFFFAOYSA-N 0 0 454.976 4.999 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(Br)s2)CC1 ZINC001360364518 1065221576 /nfs/dbraw/zinc/22/15/76/1065221576.db2.gz PAEIYVYJIDMMRY-UHFFFAOYSA-N 0 0 478.460 4.744 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1 ZINC001436160837 1065221974 /nfs/dbraw/zinc/22/19/74/1065221974.db2.gz DYSOYGWQDSDKLF-UHFFFAOYSA-N 0 0 450.707 4.864 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001360364661 1065222040 /nfs/dbraw/zinc/22/20/40/1065222040.db2.gz PCZPPWQLQCYFHE-IBGZPJMESA-N 0 0 458.562 4.697 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC=CO2)CC1 ZINC001360364918 1065222733 /nfs/dbraw/zinc/22/27/33/1065222733.db2.gz VUMBJAPAZUCDEU-SFHVURJKSA-N 0 0 479.394 4.933 20 0 JJADRN CC(C)OC1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001360365024 1065222802 /nfs/dbraw/zinc/22/28/02/1065222802.db2.gz QHGFAGXTVYTJBG-HSZRJFAPSA-N 0 0 466.548 4.780 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cn(-c2ccc(Br)cc2)cn1 ZINC001360365351 1065223242 /nfs/dbraw/zinc/22/32/42/1065223242.db2.gz SRSBVHIQBQCUPR-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 ZINC001360365482 1065223419 /nfs/dbraw/zinc/22/34/19/1065223419.db2.gz VYTPXKSZUXYGKC-FXAWDEMLSA-N 0 0 481.410 4.649 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(C)cc3)cc2)cc1 ZINC001360365892 1065223917 /nfs/dbraw/zinc/22/39/17/1065223917.db2.gz DRXZKAPKIFBBQB-AREMUKBSSA-N 0 0 456.586 4.710 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)N1CCOC[C@H]1CC(F)F ZINC001436164379 1065224280 /nfs/dbraw/zinc/22/42/80/1065224280.db2.gz IYYSPRDESHUEEU-CQSZACIVSA-N 0 0 458.336 4.944 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1sc(-c2ccc(OCC)cc2)nc1CC ZINC001436164560 1065224325 /nfs/dbraw/zinc/22/43/25/1065224325.db2.gz DDBNVURZKYZJQT-GOSISDBHSA-N 0 0 459.612 4.902 20 0 JJADRN C[C@H](NC(=O)Cc1cccc(I)c1)c1ccc(Oc2cccnc2)cc1 ZINC001436164948 1065224388 /nfs/dbraw/zinc/22/43/88/1065224388.db2.gz DCXAIAXFIICNTB-HNNXBMFYSA-N 0 0 458.299 4.898 20 0 JJADRN O=C(Nc1nccnc1-c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436164657 1065224519 /nfs/dbraw/zinc/22/45/19/1065224519.db2.gz LXOBHWGTPJGWKX-KRWDZBQOSA-N 0 0 455.345 4.941 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC001360365972 1065224598 /nfs/dbraw/zinc/22/45/98/1065224598.db2.gz GWLBCMQKURJKHR-VXKWHMMOSA-N 0 0 455.396 4.596 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360366397 1065224980 /nfs/dbraw/zinc/22/49/80/1065224980.db2.gz AFBSHSLHJLGTQF-KBMIEXCESA-N 0 0 476.612 4.992 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1scc(C)c1Br ZINC001436166926 1065225373 /nfs/dbraw/zinc/22/53/73/1065225373.db2.gz SWLXPZXJYBBPIX-UHFFFAOYSA-N 0 0 453.221 4.932 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CCCS2)CCO1 ZINC001360366994 1065225418 /nfs/dbraw/zinc/22/54/18/1065225418.db2.gz CBLMEVFIIGGKHV-UTSGNWPNSA-N 0 0 495.089 4.987 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360366946 1065225436 /nfs/dbraw/zinc/22/54/36/1065225436.db2.gz BKCNPSVHTNZHEC-AZSVPQILSA-N 0 0 476.706 4.922 20 0 JJADRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC001436167123 1065225864 /nfs/dbraw/zinc/22/58/64/1065225864.db2.gz AFLJLMSKBZTRPV-QGZVFWFLSA-N 0 0 451.995 4.844 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001436167520 1065225958 /nfs/dbraw/zinc/22/59/58/1065225958.db2.gz KHZCMIJGIAPVPO-VJBWXMMDSA-N 0 0 458.986 4.622 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2nccnc2-c2ccccc2)cc1OCC ZINC001436167710 1065225968 /nfs/dbraw/zinc/22/59/68/1065225968.db2.gz YSZZLFCMFFVXRI-UHFFFAOYSA-N 0 0 456.340 4.885 20 0 JJADRN COC(=O)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CC1 ZINC001436169027 1065226424 /nfs/dbraw/zinc/22/64/24/1065226424.db2.gz KVMWLPKIHGQYOB-UHFFFAOYSA-N 0 0 451.350 4.781 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001360367723 1065226524 /nfs/dbraw/zinc/22/65/24/1065226524.db2.gz KLKOQODCXAJNPP-QZTJIDSGSA-N 0 0 478.625 4.886 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360367726 1065226558 /nfs/dbraw/zinc/22/65/58/1065226558.db2.gz KNUDVLGPJTZZTM-HXUWFJFHSA-N 0 0 468.520 4.513 20 0 JJADRN 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ZINC001436218503 1065259704 /nfs/dbraw/zinc/25/97/04/1065259704.db2.gz SAUNCISUVKDDPM-UHFFFAOYSA-N 0 0 456.930 4.840 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001360395957 1065260040 /nfs/dbraw/zinc/26/00/40/1065260040.db2.gz UOXJULRFQHLOLF-BBRMVZONSA-N 0 0 452.190 4.710 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cn1 ZINC001360395582 1065260101 /nfs/dbraw/zinc/26/01/01/1065260101.db2.gz HTNJNTCAZAFFKX-SFHVURJKSA-N 0 0 451.368 4.621 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1ccccc1F ZINC001436219763 1065260668 /nfs/dbraw/zinc/26/06/68/1065260668.db2.gz UBUJOSQQGVRECW-KRWDZBQOSA-N 0 0 459.443 4.719 20 0 JJADRN CC(C)OCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001360396246 1065260756 /nfs/dbraw/zinc/26/07/56/1065260756.db2.gz BSJXGCAQMGQNKP-FQEVSTJZSA-N 0 0 474.030 4.690 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360396960 1065261213 /nfs/dbraw/zinc/26/12/13/1065261213.db2.gz SWQJEQZSDBPETD-IBGZPJMESA-N 0 0 481.632 4.519 20 0 JJADRN CCOc1cc(NC(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)ccc1C ZINC001436221063 1065261396 /nfs/dbraw/zinc/26/13/96/1065261396.db2.gz AJPKPUYNQQNQRP-UHFFFAOYSA-N 0 0 455.532 4.812 20 0 JJADRN CC(C)OCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360397297 1065261826 /nfs/dbraw/zinc/26/18/26/1065261826.db2.gz IZTZEIVMXVQHKM-IBGZPJMESA-N 0 0 454.571 4.546 20 0 JJADRN O=C(CCc1ccc(F)c2ccccc12)OCc1cn(-c2ccccc2Br)nn1 ZINC001436221616 1065262247 /nfs/dbraw/zinc/26/22/47/1065262247.db2.gz JMVUOPHIENGSJI-UHFFFAOYSA-N 0 0 454.299 4.998 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCN1C(=O)OC(C)(C)C ZINC001436222032 1065262450 /nfs/dbraw/zinc/26/24/50/1065262450.db2.gz JHANJGBKXBBPBZ-HOTGVXAUSA-N 0 0 455.571 4.838 20 0 JJADRN CC(C)OCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001360397824 1065262647 /nfs/dbraw/zinc/26/26/47/1065262647.db2.gz YTIKZZVNKRVQGS-QGZVFWFLSA-N 0 0 485.620 4.773 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc(Br)ccn1 ZINC001436222418 1065262842 /nfs/dbraw/zinc/26/28/42/1065262842.db2.gz JWAIUOJUYHGRRV-SFHVURJKSA-N 0 0 458.743 4.997 20 0 JJADRN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)OC ZINC001360398001 1065262787 /nfs/dbraw/zinc/26/27/87/1065262787.db2.gz FNIUQGQFSJUCNE-UHFFFAOYSA-N 0 0 455.942 4.958 20 0 JJADRN CC(C)OCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001360398574 1065263243 /nfs/dbraw/zinc/26/32/43/1065263243.db2.gz FJPVENNGLVJLOA-OALUTQOASA-N 0 0 477.447 4.776 20 0 JJADRN CC(C)OCCn1c(-c2ccccc2F)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001360398860 1065263819 /nfs/dbraw/zinc/26/38/19/1065263819.db2.gz NHYUNOHNINZKEA-YOFSQIOKSA-N 0 0 487.620 4.876 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001360399022 1065263831 /nfs/dbraw/zinc/26/38/31/1065263831.db2.gz OUIFDTULOZSTNX-IBGZPJMESA-N 0 0 462.381 4.650 20 0 JJADRN Cc1cc(-c2nc(C(=O)Nc3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)co2)ccn1 ZINC001436223745 1065263944 /nfs/dbraw/zinc/26/39/44/1065263944.db2.gz USXRCZLOSOBTOA-UHFFFAOYSA-N 0 0 452.486 4.730 20 0 JJADRN Cc1ccc([C@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360400096 1065264350 /nfs/dbraw/zinc/26/43/50/1065264350.db2.gz LVGDMBDYPKNUNS-XMMPIXPASA-N 0 0 459.970 4.948 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001360399774 1065264372 /nfs/dbraw/zinc/26/43/72/1065264372.db2.gz ZKHDTSDEJSYMRD-UHFFFAOYSA-N 0 0 476.408 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001360399249 1065264447 /nfs/dbraw/zinc/26/44/47/1065264447.db2.gz FLYHUPGCLKXKRZ-YOEHRIQHSA-N 0 0 451.539 4.902 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H]1c1cccc(C)c1 ZINC001436224067 1065264405 /nfs/dbraw/zinc/26/44/05/1065264405.db2.gz YOUITYUGSQMDKT-MBSDFSHPSA-N 0 0 459.562 4.720 20 0 JJADRN C[C@]12CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]1C2(Cl)Cl ZINC001436224332 1065264555 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JVGQRUHKCWUBMZ-VWLOTQADSA-N 0 0 452.549 4.736 20 0 JJADRN COCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001436227648 1065266189 /nfs/dbraw/zinc/26/61/89/1065266189.db2.gz FKQRWIDMGJBWKN-FOIQADDNSA-N 0 0 453.341 4.688 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC(F)F)cc2F)CC1 ZINC001360403175 1065266599 /nfs/dbraw/zinc/26/65/99/1065266599.db2.gz TXVOVIPFMIOILN-CYBMUJFWSA-N 0 0 457.290 4.709 20 0 JJADRN COc1cnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)s1 ZINC001436228200 1065266623 /nfs/dbraw/zinc/26/66/23/1065266623.db2.gz SWKLKMTYJXEKPY-XMSQKQJNSA-N 0 0 451.548 4.592 20 0 JJADRN COc1cnc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)s1 ZINC001436228197 1065266862 /nfs/dbraw/zinc/26/68/62/1065266862.db2.gz SWKLKMTYJXEKPY-AVRDEDQJSA-N 0 0 451.548 4.592 20 0 JJADRN O=C(CCOc1ccccc1I)Oc1cnc2ccc(Cl)cc2c1 ZINC001436228800 1065267227 /nfs/dbraw/zinc/26/72/27/1065267227.db2.gz USCKJRQGYPLKNT-UHFFFAOYSA-N 0 0 453.663 4.867 20 0 JJADRN 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454.214 4.673 20 0 JJADRN COc1cccc(CCC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1OC ZINC001436467476 1065326342 /nfs/dbraw/zinc/32/63/42/1065326342.db2.gz WEPOIGUVAKWOBU-UHFFFAOYSA-N 0 0 452.776 4.900 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001436469118 1065326462 /nfs/dbraw/zinc/32/64/62/1065326462.db2.gz SCXZHWJRSXQFHY-HXUWFJFHSA-N 0 0 458.436 4.971 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)O[C@H](C)c3ccc(-n4cccn4)c(F)c3)c(=O)oc2c1 ZINC001436467988 1065326555 /nfs/dbraw/zinc/32/65/55/1065326555.db2.gz PZZRQDJVRRRGAR-MRXNPFEDSA-N 0 0 450.466 4.672 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCCC(F)(F)F ZINC001360442306 1065326957 /nfs/dbraw/zinc/32/69/57/1065326957.db2.gz LXKALJZKACMKJL-HEJPQYQCSA-N 0 0 465.545 4.541 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC001436470005 1065327203 /nfs/dbraw/zinc/32/72/03/1065327203.db2.gz FFKMZWUWJZIEFP-HOYKHHGWSA-N 0 0 459.521 4.560 20 0 JJADRN 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C[C@H](c1nccs1)N1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001360466606 1065379611 /nfs/dbraw/zinc/37/96/11/1065379611.db2.gz GKJGTFRFAMIQAM-MRXNPFEDSA-N 0 0 492.615 4.866 20 0 JJADRN COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001436581336 1065380443 /nfs/dbraw/zinc/38/04/43/1065380443.db2.gz ARGDOMRBHXXWDQ-HNNXBMFYSA-N 0 0 451.311 4.684 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)OC(C)(C)C ZINC001360467141 1065380920 /nfs/dbraw/zinc/38/09/20/1065380920.db2.gz SWMANRUEOHEMTQ-MRXNPFEDSA-N 0 0 475.590 4.780 20 0 JJADRN CCc1ccccc1[C@H](CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)NC(=O)OC(C)(C)C ZINC001436582889 1065381721 /nfs/dbraw/zinc/38/17/21/1065381721.db2.gz UBRRABREBWJYBH-KOSHJBKYSA-N 0 0 452.595 4.887 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)Nc2ccc(-c3ccccn3)cc2)nnc1-c1ccccc1 ZINC001436583347 1065382462 /nfs/dbraw/zinc/38/24/62/1065382462.db2.gz GQIYYXBFRSBBTH-SFHVURJKSA-N 0 0 459.575 4.945 20 0 JJADRN NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2csc(-c3cccc4ccccc43)n2)c1 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Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)nn1C1CCCCC1 ZINC001436589491 1065386052 /nfs/dbraw/zinc/38/60/52/1065386052.db2.gz FUZGHCDLKAGXPF-GOSISDBHSA-N 0 0 458.628 4.821 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)OC(F)(F)O3)c1C ZINC001360469995 1065386756 /nfs/dbraw/zinc/38/67/56/1065386756.db2.gz PIDARSUMZDVTLW-UHFFFAOYSA-N 0 0 450.239 4.825 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ncccc2Br)c1C ZINC001360470090 1065386872 /nfs/dbraw/zinc/38/68/72/1065386872.db2.gz QIDCDERBGMDUBA-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)s2)cc1 ZINC001436590841 1065387318 /nfs/dbraw/zinc/38/73/18/1065387318.db2.gz VLFREUCRINKVID-UHFFFAOYSA-N 0 0 454.527 4.828 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001436590631 1065387342 /nfs/dbraw/zinc/38/73/42/1065387342.db2.gz OOMLBAXTINWTFE-UHFFFAOYSA-N 0 0 450.948 4.765 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cnnn3-c3ccccc3Br)CC2)cc1C ZINC001436590927 1065387401 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4.901 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3scnc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436595802 1065390093 /nfs/dbraw/zinc/39/00/93/1065390093.db2.gz SNCNWXCQIQZWKX-RBBKRZOGSA-N 0 0 451.548 4.592 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)n1 ZINC001436598704 1065391709 /nfs/dbraw/zinc/39/17/09/1065391709.db2.gz OIJHBAINDBOYAB-UHFFFAOYSA-N 0 0 451.548 4.513 20 0 JJADRN Cc1cccn(Cc2c(F)cccc2NC(=O)COc2ccccc2Cc2ccccc2)c1=O ZINC001436600165 1065392704 /nfs/dbraw/zinc/39/27/04/1065392704.db2.gz UUYOCQGZAYRONO-UHFFFAOYSA-N 0 0 456.517 4.952 20 0 JJADRN C[C@H](CCOCc1ccccc1)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001436599575 1065392731 /nfs/dbraw/zinc/39/27/31/1065392731.db2.gz QQSYMCXLWBERLS-QGZVFWFLSA-N 0 0 450.539 4.860 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC001360472559 1065392784 /nfs/dbraw/zinc/39/27/84/1065392784.db2.gz GTVCYLMETZIRKZ-JGCGQSQUSA-N 0 0 451.498 4.852 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC[C@@H]3C(C)C)c2)cc1 ZINC001360473548 1065393025 /nfs/dbraw/zinc/39/30/25/1065393025.db2.gz XAQFGBJNPDGGTD-XMMPIXPASA-N 0 0 458.624 4.870 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001436602190 1065394559 /nfs/dbraw/zinc/39/45/59/1065394559.db2.gz VOSNIQKSLUEQID-UZLBHIALSA-N 0 0 451.405 4.678 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001545899834 1065395963 /nfs/dbraw/zinc/39/59/63/1065395963.db2.gz ADMHQWDFZDGUDC-BVSLBCMMSA-N 0 0 477.694 4.576 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccc(Cl)cc1 ZINC001436607626 1065396566 /nfs/dbraw/zinc/39/65/66/1065396566.db2.gz AXDSNASPUFMEAG-KRWDZBQOSA-N 0 0 454.979 4.578 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)cc1NC(=O)c1ccc(Br)cc1 ZINC001436607495 1065396788 /nfs/dbraw/zinc/39/67/88/1065396788.db2.gz AIWOZEYBIAIOQS-MRXNPFEDSA-N 0 0 459.384 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC001360480007 1065398306 /nfs/dbraw/zinc/39/83/06/1065398306.db2.gz KZKUMJPKZPTXTO-DEOSSOPVSA-N 0 0 450.579 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)C1 ZINC001436612757 1065398410 /nfs/dbraw/zinc/39/84/10/1065398410.db2.gz MDCSVPRGGWSYDV-XMSQKQJNSA-N 0 0 453.505 4.540 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)CCC2 ZINC001436616222 1065398909 /nfs/dbraw/zinc/39/89/09/1065398909.db2.gz ANGHTMNMVLPNTE-UHFFFAOYSA-N 0 0 455.407 4.924 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001436616647 1065398943 /nfs/dbraw/zinc/39/89/43/1065398943.db2.gz ICGHTVIQGZNQNR-BXUZGUMPSA-N 0 0 473.332 4.920 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)CCC2 ZINC001436616766 1065398960 /nfs/dbraw/zinc/39/89/60/1065398960.db2.gz GNXLJRSKWTWMRB-UHFFFAOYSA-N 0 0 456.789 4.716 20 0 JJADRN 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CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2OC(F)F)C1 ZINC001436628822 1065406495 /nfs/dbraw/zinc/40/64/95/1065406495.db2.gz KPYDQWSKDXKFFA-OALUTQOASA-N 0 0 452.542 4.859 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)c2ccccn2)cc1 ZINC001360486571 1065406527 /nfs/dbraw/zinc/40/65/27/1065406527.db2.gz VHHKJVLALCJORG-UNMCSNQZSA-N 0 0 455.624 4.533 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCS[C@@H](C)[C@@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC001360486716 1065406607 /nfs/dbraw/zinc/40/66/07/1065406607.db2.gz WCUPULRRLNJBKQ-HOTGVXAUSA-N 0 0 452.576 4.894 20 0 JJADRN CCOc1cc(CCCNC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1OC ZINC001360488446 1065407340 /nfs/dbraw/zinc/40/73/40/1065407340.db2.gz GJBGPRIDPBUOME-UHFFFAOYSA-N 0 0 450.373 4.763 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001360489790 1065408683 /nfs/dbraw/zinc/40/86/83/1065408683.db2.gz XPJSIVXNTZHWIL-IBGZPJMESA-N 0 0 455.551 4.520 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)N(C)c1ccc(-c2nccs2)cc1)C(=O)N1CCCC1 ZINC001436633318 1065408884 /nfs/dbraw/zinc/40/88/84/1065408884.db2.gz BXRYGGPDMUAHRB-MRXNPFEDSA-N 0 0 452.605 4.585 20 0 JJADRN O=C(NCc1ccc(OC2CCCCC2)cc1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001360492085 1065409661 /nfs/dbraw/zinc/40/96/61/1065409661.db2.gz XMULIQIRZTVGSP-UHFFFAOYSA-N 0 0 456.608 4.549 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cccc(N2CCCCCC2)c1 ZINC001360493655 1065409824 /nfs/dbraw/zinc/40/98/24/1065409824.db2.gz DVEHPAUCROAWJY-UHFFFAOYSA-N 0 0 459.388 4.980 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1C ZINC001360494040 1065410271 /nfs/dbraw/zinc/41/02/71/1065410271.db2.gz OIAUZUMTLPYMKW-ROUUACIJSA-N 0 0 451.567 4.682 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)c1ccc(F)cc1F ZINC001360493741 1065410477 /nfs/dbraw/zinc/41/04/77/1065410477.db2.gz GOOJGASGSACZNG-HSZRJFAPSA-N 0 0 455.505 4.754 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(OC)c1 ZINC001436637849 1065410440 /nfs/dbraw/zinc/41/04/40/1065410440.db2.gz LFGVIGKFEXQQGQ-SREVYHEPSA-N 0 0 458.599 4.747 20 0 JJADRN CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCCCc2ccc(Cl)c(Cl)c2)c1 ZINC001436636158 1065410542 /nfs/dbraw/zinc/41/05/42/1065410542.db2.gz PGZDJDOLSHHIMT-UHFFFAOYSA-N 0 0 457.423 4.709 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCC1(F)F ZINC001360495499 1065411334 /nfs/dbraw/zinc/41/13/34/1065411334.db2.gz XQPFFOCXXLVZEC-HKUYNNGSSA-N 0 0 477.600 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCCc2cccc(Br)c2)C1 ZINC001436638970 1065411606 /nfs/dbraw/zinc/41/16/06/1065411606.db2.gz SGYWFHFBVJFLEB-GOSISDBHSA-N 0 0 451.405 4.535 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)N[C@@H]3C[C@H]3CC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436640343 1065412273 /nfs/dbraw/zinc/41/22/73/1065412273.db2.gz GDBBBTVCMJSJRS-XTFDTTDVSA-N 0 0 450.579 4.739 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360496734 1065412943 /nfs/dbraw/zinc/41/29/43/1065412943.db2.gz BBWSEEVZEULYKH-QYZOEREBSA-N 0 0 485.629 4.589 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 ZINC001436641542 1065413038 /nfs/dbraw/zinc/41/30/38/1065413038.db2.gz SPSLANFTBZZAHY-AWEZNQCLSA-N 0 0 456.764 4.954 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnccn1 ZINC001360496920 1065413111 /nfs/dbraw/zinc/41/31/11/1065413111.db2.gz CKBMYLNQWIARSF-MRXNPFEDSA-N 0 0 470.549 4.913 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360497182 1065414094 /nfs/dbraw/zinc/41/40/94/1065414094.db2.gz FXRWARBLYSLSQH-SJORKVTESA-N 0 0 489.592 4.579 20 0 JJADRN COc1cc(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc(OC)c1Cl ZINC001436641569 1065414136 /nfs/dbraw/zinc/41/41/36/1065414136.db2.gz UJSUZPSDDMZBGB-UHFFFAOYSA-N 0 0 452.688 4.787 20 0 JJADRN COc1cc(NC(=O)c2cc(Br)cnc2Br)cc(OC)c1Cl ZINC001436641850 1065414214 /nfs/dbraw/zinc/41/42/14/1065414214.db2.gz DHXFHODQYJJJRS-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CO)CC1 ZINC001360497523 1065414570 /nfs/dbraw/zinc/41/45/70/1065414570.db2.gz INIDNGBEVIMYES-OAHLLOKOSA-N 0 0 493.446 4.996 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001360497512 1065414734 /nfs/dbraw/zinc/41/47/34/1065414734.db2.gz IIIZFDNOMFZSTD-IBGZPJMESA-N 0 0 469.630 4.833 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(F)c1 ZINC001360497519 1065414749 /nfs/dbraw/zinc/41/47/49/1065414749.db2.gz IJCMGFRHCFTSIO-QGZVFWFLSA-N 0 0 464.570 4.641 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(Br)c(C)cc2Cl)CC1=O ZINC001436644709 1065414844 /nfs/dbraw/zinc/41/48/44/1065414844.db2.gz IOUPQPRXIMUDFN-ZDUSSCGKSA-N 0 0 451.748 4.801 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Cc1cccs1 ZINC001360497977 1065415760 /nfs/dbraw/zinc/41/57/60/1065415760.db2.gz MYCGOBDDZZCSJT-CQSZACIVSA-N 0 0 496.500 4.670 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001360498190 1065416488 /nfs/dbraw/zinc/41/64/88/1065416488.db2.gz PLJHUZXMVNPRPB-IXDOHACOSA-N 0 0 481.087 4.797 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001360498188 1065416527 /nfs/dbraw/zinc/41/65/27/1065416527.db2.gz PLJHUZXMVNPRPB-IKGGRYGDSA-N 0 0 481.087 4.797 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)OCc2cc(Cl)cc(Br)c2)CC1=O ZINC001436648986 1065417550 /nfs/dbraw/zinc/41/75/50/1065417550.db2.gz PHUVWKVDVVKRIY-AWEZNQCLSA-N 0 0 452.732 4.516 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)CCc2cc(Br)cs2)c1 ZINC001436651677 1065418310 /nfs/dbraw/zinc/41/83/10/1065418310.db2.gz BRWWIMKAPRHCDG-UHFFFAOYSA-N 0 0 451.791 4.634 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001436655611 1065419766 /nfs/dbraw/zinc/41/97/66/1065419766.db2.gz KOBXUGYKTJRTAO-IRLDBZIGSA-N 0 0 454.617 4.551 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 ZINC001436655225 1065419841 /nfs/dbraw/zinc/41/98/41/1065419841.db2.gz RNXJHHXDLYFYFB-SFHVURJKSA-N 0 0 454.379 4.596 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360499093 1065419968 /nfs/dbraw/zinc/41/99/68/1065419968.db2.gz ADACZXWFKYEHGY-GOSISDBHSA-N 0 0 486.085 4.945 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001360499822 1065420534 /nfs/dbraw/zinc/42/05/34/1065420534.db2.gz IIHYUOHQHQIDNX-SFHVURJKSA-N 0 0 479.650 4.539 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)Cc2ccc(Br)c(Br)c2)c1 ZINC001436665066 1065420738 /nfs/dbraw/zinc/42/07/38/1065420738.db2.gz BXONLNWPVNCRTD-LLVKDONJSA-N 0 0 459.153 4.649 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360500056 1065421516 /nfs/dbraw/zinc/42/15/16/1065421516.db2.gz KBPWSQWVIZNPQT-WSTZPKSXSA-N 0 0 475.659 4.563 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001436675151 1065421790 /nfs/dbraw/zinc/42/17/90/1065421790.db2.gz BGMRNOJYAHWGQN-TZMCWYRMSA-N 0 0 459.310 4.993 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360500563 1065422246 /nfs/dbraw/zinc/42/22/46/1065422246.db2.gz NVJYDQPDNSXBLG-GDBMZVCRSA-N 0 0 450.530 4.776 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360500568 1065422261 /nfs/dbraw/zinc/42/22/61/1065422261.db2.gz NVJYDQPDNSXBLG-HOCLYGCPSA-N 0 0 450.530 4.776 20 0 JJADRN CCCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360500687 1065423075 /nfs/dbraw/zinc/42/30/75/1065423075.db2.gz CHBHWZHOTHWKDR-FTJBHMTQSA-N 0 0 458.537 4.773 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 ZINC001360500693 1065423147 /nfs/dbraw/zinc/42/31/47/1065423147.db2.gz CIIKNVHTMJOPKA-UHFFFAOYSA-N 0 0 457.530 4.763 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360500847 1065424196 /nfs/dbraw/zinc/42/41/96/1065424196.db2.gz OXYZEDQCBFOZAS-PMACEKPBSA-N 0 0 496.681 4.650 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001360501102 1065424247 /nfs/dbraw/zinc/42/42/47/1065424247.db2.gz QRHAIHBLHWIKLM-INIZCTEOSA-N 0 0 482.560 4.634 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001545900505 1065424334 /nfs/dbraw/zinc/42/43/34/1065424334.db2.gz POKZYNNFCJXMSP-JQVVWYNYSA-N 0 0 497.684 4.913 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001360501103 1065425084 /nfs/dbraw/zinc/42/50/84/1065425084.db2.gz QRHAIHBLHWIKLM-MRXNPFEDSA-N 0 0 482.560 4.634 20 0 JJADRN Cc1c(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)cccc1S(=O)(=O)N(C)C ZINC001436706117 1065425180 /nfs/dbraw/zinc/42/51/80/1065425180.db2.gz NPCCLVCZCMKVCL-UHFFFAOYSA-N 0 0 452.363 4.595 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@H](C)Cc3cn(C)c4ccc(F)cc34)cs2)cc1 ZINC001436709792 1065426160 /nfs/dbraw/zinc/42/61/60/1065426160.db2.gz DNYNBISSQAIFDJ-QGZVFWFLSA-N 0 0 451.567 4.951 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)on2)c1 ZINC001436711668 1065426711 /nfs/dbraw/zinc/42/67/11/1065426711.db2.gz CTNHIQSXZYQUSA-FXAWDEMLSA-N 0 0 479.886 4.764 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001436711981 1065426844 /nfs/dbraw/zinc/42/68/44/1065426844.db2.gz KPFODIKKQMSNEC-FUHWJXTLSA-N 0 0 455.961 4.570 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001360502272 1065427307 /nfs/dbraw/zinc/42/73/07/1065427307.db2.gz ZHDVNJRCRWMYOD-ROUUACIJSA-N 0 0 461.031 4.924 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360502181 1065427388 /nfs/dbraw/zinc/42/73/88/1065427388.db2.gz YTPJGSGMUDCZLU-MSOLQXFVSA-N 0 0 455.603 4.677 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 ZINC001360502278 1065427475 /nfs/dbraw/zinc/42/74/75/1065427475.db2.gz ZIARYBQNYKLFGS-KRWDZBQOSA-N 0 0 453.015 4.889 20 0 JJADRN Cc1ccc(I)c(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1 ZINC001436712956 1065427727 /nfs/dbraw/zinc/42/77/27/1065427727.db2.gz LKCGHIPIQODQET-ZDUSSCGKSA-N 0 0 450.295 4.591 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@](C)(Cc3ccccc3)C(C)C)CC2)c(C)c1 ZINC001360502421 1065428299 /nfs/dbraw/zinc/42/82/99/1065428299.db2.gz STGQKICSRYAQFC-FIPFOOKPSA-N 0 0 450.623 4.647 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001436716531 1065429295 /nfs/dbraw/zinc/42/92/95/1065429295.db2.gz XYXSCOLCVHRAST-KDQFFHPLSA-N 0 0 457.014 4.848 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001360502886 1065429829 /nfs/dbraw/zinc/42/98/29/1065429829.db2.gz FLWZEHZABYXSFJ-NFQMXDRXSA-N 0 0 465.642 4.778 20 0 JJADRN COc1ccc(NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)cc1NC(=O)C1CCCCC1 ZINC001360502976 1065429855 /nfs/dbraw/zinc/42/98/55/1065429855.db2.gz AVTBOFRRTKWXHL-UHFFFAOYSA-N 0 0 456.493 4.789 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1Br ZINC001436718503 1065430204 /nfs/dbraw/zinc/43/02/04/1065430204.db2.gz ZPVOKQIYPVHGQL-UHFFFAOYSA-N 0 0 452.190 4.606 20 0 JJADRN COc1ccc(C(C)(C)C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)cc1 ZINC001360502993 1065430593 /nfs/dbraw/zinc/43/05/93/1065430593.db2.gz BFPJXJQBFLVSND-UHFFFAOYSA-N 0 0 459.333 4.961 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001360503668 1065430829 /nfs/dbraw/zinc/43/08/29/1065430829.db2.gz NGRWBYRCCQNJGN-UHFFFAOYSA-N 0 0 453.159 4.911 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001436735051 1065432044 /nfs/dbraw/zinc/43/20/44/1065432044.db2.gz KUUAWVSATLCRCZ-NWDGAFQWSA-N 0 0 453.274 4.732 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360503568 1065432422 /nfs/dbraw/zinc/43/24/22/1065432422.db2.gz LQGVACQOJPKHCE-FPOVZHCZSA-N 0 0 494.640 4.836 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCSc2ccc(Br)cc2)C1(C)C ZINC001436737015 1065433030 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C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001360519398 1065485940 /nfs/dbraw/zinc/48/59/40/1065485940.db2.gz LXDMUKDQNGMQJP-XMSQKQJNSA-N 0 0 487.620 4.941 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCOC1)c1nccs1 ZINC001360519420 1065486064 /nfs/dbraw/zinc/48/60/64/1065486064.db2.gz MOHXVNFORQOOEA-JKSUJKDBSA-N 0 0 476.444 4.831 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N(C)C)c1ccccc1 ZINC001360519472 1065486819 /nfs/dbraw/zinc/48/68/19/1065486819.db2.gz NRGGTINQOWRORD-LJQANCHMSA-N 0 0 465.667 4.994 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2cnc(C(F)(F)F)nc2)s1 ZINC001436980207 1065486946 /nfs/dbraw/zinc/48/69/46/1065486946.db2.gz JRROZSXVKBIODA-UHFFFAOYSA-N 0 0 451.455 4.946 20 0 JJADRN CCc1c(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)cnn1CCC(C)C ZINC001436978726 1065487006 /nfs/dbraw/zinc/48/70/06/1065487006.db2.gz OZZAQWRJDRQZLR-UHFFFAOYSA-N 0 0 450.274 4.741 20 0 JJADRN C[C@@H](CN(C)c1nnc(C(C)(C)C)n1Cc1ccnc(N2CCCCC2)c1)c1nccs1 ZINC001360519534 1065487497 /nfs/dbraw/zinc/48/74/97/1065487497.db2.gz OTCGAYHZFIDQLT-SFHVURJKSA-N 0 0 453.660 4.706 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1F)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001436988287 1065488688 /nfs/dbraw/zinc/48/86/88/1065488688.db2.gz KXXFPCIISBWQJP-UHFFFAOYSA-N 0 0 455.690 4.709 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC=CCO1)c1ccccc1 ZINC001360519822 1065489008 /nfs/dbraw/zinc/48/90/08/1065489008.db2.gz UKIOOCCKLJSWBJ-LPHOPBHVSA-N 0 0 456.388 4.621 20 0 JJADRN C[C@@H](CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC001360519935 1065489889 /nfs/dbraw/zinc/48/98/89/1065489889.db2.gz VTDXZKCLEBAJLN-IRXDYDNUSA-N 0 0 462.664 4.672 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1)c1nccs1 ZINC001360519974 1065489934 /nfs/dbraw/zinc/48/99/34/1065489934.db2.gz WNXKOOXOYUSIIH-NYHFZMIOSA-N 0 0 457.987 4.796 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3CCC(=O)OC(C)(C)C)n2)cc1 ZINC001436991295 1065490238 /nfs/dbraw/zinc/49/02/38/1065490238.db2.gz LZMDDQACGSZQLG-LJQANCHMSA-N 0 0 457.571 4.571 20 0 JJADRN COc1cccc2c(C(=O)N(CCCn3ccnc3)c3ccc(Br)cn3)coc21 ZINC001436992935 1065490288 /nfs/dbraw/zinc/49/02/88/1065490288.db2.gz YSYUFBMTGJXNHJ-UHFFFAOYSA-N 0 0 455.312 4.533 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(F)c1)c1nccs1 ZINC001360519982 1065490670 /nfs/dbraw/zinc/49/06/70/1065490670.db2.gz WRRARNDQHQWNPU-ZDUSSCGKSA-N 0 0 475.391 4.920 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1)c1ccccc1 ZINC001360520037 1065490702 /nfs/dbraw/zinc/49/07/02/1065490702.db2.gz XXDVDJYJKDFZRK-KRWDZBQOSA-N 0 0 472.431 4.591 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F)c1ccccc1 ZINC001360520002 1065490717 /nfs/dbraw/zinc/49/07/17/1065490717.db2.gz XIHKHZFTJFQLPT-OAHLLOKOSA-N 0 0 482.373 4.915 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(N(C)C[C@@H]2CCOC2)nnc1C1(c2ccccc2)CCC1 ZINC001360520036 1065490750 /nfs/dbraw/zinc/49/07/50/1065490750.db2.gz XWICJUGDDBEYQW-YADHBBJMSA-N 0 0 497.684 4.724 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001360520187 1065491115 /nfs/dbraw/zinc/49/11/15/1065491115.db2.gz AKIZJIQXYNIONZ-RBBKRZOGSA-N 0 0 478.641 4.923 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001360520188 1065491283 /nfs/dbraw/zinc/49/12/83/1065491283.db2.gz AKIZJIQXYNIONZ-UNMCSNQZSA-N 0 0 478.641 4.923 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360520267 1065492308 /nfs/dbraw/zinc/49/23/08/1065492308.db2.gz CTJVVDQYUTWENR-MSOLQXFVSA-N 0 0 485.658 4.617 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1)c1nccs1 ZINC001360520283 1065492340 /nfs/dbraw/zinc/49/23/40/1065492340.db2.gz CZISBQMSDMURDV-CZUORRHYSA-N 0 0 453.946 4.719 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC(F)(F)F)c1nccs1 ZINC001360520398 1065492930 /nfs/dbraw/zinc/49/29/30/1065492930.db2.gz GDWJHVHWASIDHK-MRXNPFEDSA-N 0 0 491.543 4.754 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC(=O)N(C)C)c1nccs1 ZINC001360520577 1065492939 /nfs/dbraw/zinc/49/29/39/1065492939.db2.gz JERWHMOTTXFOOL-GOSISDBHSA-N 0 0 468.671 4.807 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC1)c1nccs1 ZINC001360520419 1065493058 /nfs/dbraw/zinc/49/30/58/1065493058.db2.gz GOUFEYOGDDTAJK-GFCCVEGCSA-N 0 0 450.381 4.953 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360520683 1065493801 /nfs/dbraw/zinc/49/38/01/1065493801.db2.gz LAIFAEMLWGZKMS-KRWDZBQOSA-N 0 0 468.627 4.508 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccccn2)n1CCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001360520840 1065493946 /nfs/dbraw/zinc/49/39/46/1065493946.db2.gz NGWLCTUFNXROGQ-HXUWFJFHSA-N 0 0 464.614 4.885 20 0 JJADRN CN(c1nc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cs1)c1ccccc1 ZINC001437010015 1065494574 /nfs/dbraw/zinc/49/45/74/1065494574.db2.gz GGJHGSBWWLHAQM-UHFFFAOYSA-N 0 0 452.580 4.866 20 0 JJADRN CCc1c(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC001437011565 1065494638 /nfs/dbraw/zinc/49/46/38/1065494638.db2.gz ZIXZZUDPNLIZIL-UHFFFAOYSA-N 0 0 452.530 4.529 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC001437009869 1065494646 /nfs/dbraw/zinc/49/46/46/1065494646.db2.gz UVWGWKUCRCJIER-UHFFFAOYSA-N 0 0 458.986 4.729 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCSC(F)(F)F)c1nccs1 ZINC001360521377 1065495811 /nfs/dbraw/zinc/49/58/11/1065495811.db2.gz URADMPLFEXXKNB-ZDUSSCGKSA-N 0 0 485.557 4.666 20 0 JJADRN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC001437018853 1065496163 /nfs/dbraw/zinc/49/61/63/1065496163.db2.gz XMTZHWPKIDVLLA-DEOSSOPVSA-N 0 0 455.530 4.840 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@@H]1CCOC1)c1nccs1 ZINC001360521721 1065496442 /nfs/dbraw/zinc/49/64/42/1065496442.db2.gz YLBLOPOJIPGLJP-DOTOQJQBSA-N 0 0 480.009 4.630 20 0 JJADRN Cc1nc(Cl)ccc1CC(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001360522343 1065497470 /nfs/dbraw/zinc/49/74/70/1065497470.db2.gz CGLCSLRLYNDBIJ-UHFFFAOYSA-N 0 0 450.966 4.987 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C)COC1)c1nccs1 ZINC001360521774 1065497616 /nfs/dbraw/zinc/49/76/16/1065497616.db2.gz ZKCSPQYTOPEKSA-ZDUSSCGKSA-N 0 0 480.407 4.580 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC001437025065 1065497710 /nfs/dbraw/zinc/49/77/10/1065497710.db2.gz KOECBRXVBOLKFH-UHFFFAOYSA-N 0 0 459.315 4.990 20 0 JJADRN O=C(NCCCCSc1ccccc1Br)c1cnc2ccnn2c1C(F)F ZINC001360522709 1065498343 /nfs/dbraw/zinc/49/83/43/1065498343.db2.gz KEGORRXZEKXFBU-UHFFFAOYSA-N 0 0 455.328 4.732 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)OCC(=O)N1CCCCCC1 ZINC001360523782 1065499188 /nfs/dbraw/zinc/49/91/88/1065499188.db2.gz LWGPJCZQBZAOIN-UHFFFAOYSA-N 0 0 451.386 4.749 20 0 JJADRN CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC001360524547 1065499813 /nfs/dbraw/zinc/49/98/13/1065499813.db2.gz FZDKQNSQHZEFJR-HJNYFJLDSA-N 0 0 471.646 4.571 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001360524344 1065499980 /nfs/dbraw/zinc/49/99/80/1065499980.db2.gz DEXRJFCPZOUNHX-RDJZCZTQSA-N 0 0 498.596 4.549 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001437039537 1065500369 /nfs/dbraw/zinc/50/03/69/1065500369.db2.gz OGYYSDOTFVIXQM-NSPYISDASA-N 0 0 453.823 4.733 20 0 JJADRN C[C@H](CN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1nccs1 ZINC001360524854 1065500362 /nfs/dbraw/zinc/50/03/62/1065500362.db2.gz KWQKDQCCAOJMRP-FCGDIQPGSA-N 0 0 461.676 4.708 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@@H]2CCCOC2)n1CCSCc1ccccc1F)c1nccs1 ZINC001360524611 1065500400 /nfs/dbraw/zinc/50/04/00/1065500400.db2.gz HBNVHJKQSIQGPP-ZWKOTPCHSA-N 0 0 475.659 4.941 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1nccs1 ZINC001360524872 1065500452 /nfs/dbraw/zinc/50/04/52/1065500452.db2.gz LAPPMIUFNVJHPR-WCIQWLHISA-N 0 0 461.676 4.710 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545904213 1065500876 /nfs/dbraw/zinc/50/08/76/1065500876.db2.gz PZTVIMRKDHUYFP-AXHZCLLHSA-N 0 0 483.657 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001545904214 1065500971 /nfs/dbraw/zinc/50/09/71/1065500971.db2.gz PZTVIMRKDHUYFP-KHCICDEESA-N 0 0 483.657 4.750 20 0 JJADRN C[C@H](CN(C)c1nnc([C@H]2CCCCO2)n1CCc1nc(C(F)(F)F)cs1)c1nccs1 ZINC001360524943 1065501133 /nfs/dbraw/zinc/50/11/33/1065501133.db2.gz LYRUYJFKBZIUNK-ZIAGYGMSSA-N 0 0 486.589 4.934 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)ccc1OC(F)F)c1nccs1 ZINC001360525035 1065501466 /nfs/dbraw/zinc/50/14/66/1065501466.db2.gz NSVUOTVCHIDPDI-ZIAGYGMSSA-N 0 0 483.972 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545904216 1065501851 /nfs/dbraw/zinc/50/18/51/1065501851.db2.gz PZTVIMRKDHUYFP-ZBNTXBBCSA-N 0 0 483.657 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)cc2)n1C[C@](C)(OC)C1CC1 ZINC001545904274 1065502083 /nfs/dbraw/zinc/50/20/83/1065502083.db2.gz QXSRQSHPQZBMEY-NVQXNPDNSA-N 0 0 453.631 4.662 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)cc2)n1C[C@](C)(OC)C1CC1 ZINC001545904273 1065502173 /nfs/dbraw/zinc/50/21/73/1065502173.db2.gz QXSRQSHPQZBMEY-GJZUVCINSA-N 0 0 453.631 4.662 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001437044883 1065502364 /nfs/dbraw/zinc/50/23/64/1065502364.db2.gz LBFSNYCIXSULDI-UHFFFAOYSA-N 0 0 454.300 4.618 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(c3cccc(Cl)c3)CCC2)c1 ZINC001437045371 1065502398 /nfs/dbraw/zinc/50/23/98/1065502398.db2.gz AXTBSZGAYOGRNN-UHFFFAOYSA-N 0 0 454.979 4.974 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001360525795 1065502718 /nfs/dbraw/zinc/50/27/18/1065502718.db2.gz ZQBZSALDDOBFDT-ICSRJNTNSA-N 0 0 455.990 4.539 20 0 JJADRN Cc1nn(CC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1-c1ccccc1 ZINC001437047851 1065502740 /nfs/dbraw/zinc/50/27/40/1065502740.db2.gz ZYAMQXZLRJOPGQ-UHFFFAOYSA-N 0 0 454.353 4.778 20 0 JJADRN C[C@H](CN(C)c1nnc(CC2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001360525995 1065503224 /nfs/dbraw/zinc/50/32/24/1065503224.db2.gz DDUDQCYWDITQEC-LJQANCHMSA-N 0 0 453.631 4.870 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)Cc1csc(COc2ccccc2)n1 ZINC001437048998 1065503355 /nfs/dbraw/zinc/50/33/55/1065503355.db2.gz QQTXGZDJFVMGNM-KZNAEPCWSA-N 0 0 459.612 4.509 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1Cc1ccc(Cl)nc1 ZINC001545904321 1065503408 /nfs/dbraw/zinc/50/34/08/1065503408.db2.gz SDKBIYOGONXEHA-NRFANRHFSA-N 0 0 483.016 4.643 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCCn1nc(C)cc1C ZINC001545904371 1065503454 /nfs/dbraw/zinc/50/34/54/1065503454.db2.gz TUYNSGGIVMVDLY-FQEVSTJZSA-N 0 0 469.659 4.503 20 0 JJADRN C[C@@H](CN(C)c1nnc(Cc2ccc(F)cc2)n1CCOc1ncccc1Cl)c1nccs1 ZINC001360526092 1065503890 /nfs/dbraw/zinc/50/38/90/1065503890.db2.gz FTSMIANGCRSUMA-INIZCTEOSA-N 0 0 487.004 4.832 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1CC(C)(C)c1ccccn1 ZINC001545904456 1065503966 /nfs/dbraw/zinc/50/39/66/1065503966.db2.gz VRROVANKGXQCRE-LJQANCHMSA-N 0 0 450.587 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)cc2)n1CCc1c(C)noc1C ZINC001545904557 1065505135 /nfs/dbraw/zinc/50/51/35/1065505135.db2.gz XTEMNCHGIQNEHE-HSZRJFAPSA-N 0 0 464.614 4.694 20 0 JJADRN C[C@@H](CN(C)c1nnc(CC2CC2)n1Cc1ccc(I)cc1)c1nccs1 ZINC001360526638 1065505417 /nfs/dbraw/zinc/50/54/17/1065505417.db2.gz QBHTVUBXOKTVPB-AWEZNQCLSA-N 0 0 493.418 4.580 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360526697 1065505495 /nfs/dbraw/zinc/50/54/95/1065505495.db2.gz QZCRWMKTJXNAGQ-YVHKJVDXSA-N 0 0 475.609 4.905 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1csc(I)c1 ZINC001437074724 1065506094 /nfs/dbraw/zinc/50/60/94/1065506094.db2.gz TVJOLVDPXJCHLD-DGCLKSJQSA-N 0 0 451.333 4.685 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cs1 ZINC001437073690 1065506114 /nfs/dbraw/zinc/50/61/14/1065506114.db2.gz QGJKMEYMJJQUFY-HUUCEWRRSA-N 0 0 455.584 4.500 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001437073946 1065506442 /nfs/dbraw/zinc/50/64/42/1065506442.db2.gz ROSBFNPWHGMLBZ-PKOBYXMFSA-N 0 0 456.384 4.727 20 0 JJADRN C[C@@H](CN(C)c1nnc(CC2CCCC2)n1CCOc1ncccc1Cl)c1nccs1 ZINC001360527022 1065506654 /nfs/dbraw/zinc/50/66/54/1065506654.db2.gz YHNJRMCXKFPDDH-INIZCTEOSA-N 0 0 461.035 4.835 20 0 JJADRN C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccsc1)c1nccs1 ZINC001360527120 1065506668 /nfs/dbraw/zinc/50/66/68/1065506668.db2.gz ZZWLVPBJZFXVNW-BTYIYWSLSA-N 0 0 459.666 4.596 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@H](C)c1nccs1 ZINC001545904656 1065507421 /nfs/dbraw/zinc/50/74/21/1065507421.db2.gz ZVMRCBLLULHRKC-UWJYYQICSA-N 0 0 482.654 4.807 20 0 JJADRN O=C(CCc1cccc(F)c1Br)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001360528838 1065507602 /nfs/dbraw/zinc/50/76/02/1065507602.db2.gz PXQZCQQWBCPTPD-UHFFFAOYSA-N 0 0 453.739 4.953 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCC(c3cccc(F)c3F)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001437084090 1065508572 /nfs/dbraw/zinc/50/85/72/1065508572.db2.gz WSNKANFXAQEOHG-OPAMFIHVSA-N 0 0 450.888 4.683 20 0 JJADRN C[C@H](CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)c1nccs1 ZINC001360529225 1065508888 /nfs/dbraw/zinc/50/88/88/1065508888.db2.gz DWFSMJGUIIEVKG-ZHRRBRCNSA-N 0 0 494.086 4.726 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1)c1ccccc1 ZINC001360529489 1065508923 /nfs/dbraw/zinc/50/89/23/1065508923.db2.gz HTNQPGSEUXQZIU-SWGGMNADSA-N 0 0 483.657 4.751 20 0 JJADRN CC[C@H](NC(=O)C(C)(C)Cc1ccc(Br)c(C)c1)C(=O)NCc1cccs1 ZINC001437091947 1065509212 /nfs/dbraw/zinc/50/92/12/1065509212.db2.gz LIEUEASZZIUYAJ-SFHVURJKSA-N 0 0 451.430 4.599 20 0 JJADRN C[C@@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccncc1)c1nccs1 ZINC001360529713 1065509312 /nfs/dbraw/zinc/50/93/12/1065509312.db2.gz KKIGITCFMBQTEI-KRWDZBQOSA-N 0 0 469.014 4.845 20 0 JJADRN CC[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)NCc1cccs1 ZINC001437098074 1065509709 /nfs/dbraw/zinc/50/97/09/1065509709.db2.gz ZBSTZMHTHUSBPZ-CQSZACIVSA-N 0 0 455.527 4.520 20 0 JJADRN CC[C@H](NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)C(=O)NCc1cccs1 ZINC001437096868 1065509801 /nfs/dbraw/zinc/50/98/01/1065509801.db2.gz VSMHLNLEUDUCTI-IBGZPJMESA-N 0 0 452.967 4.565 20 0 JJADRN C[C@H](CN(C)c1nnc(COc2ccccc2F)n1CC1(O)CCCCCC1)c1nccs1 ZINC001360530115 1065509797 /nfs/dbraw/zinc/50/97/97/1065509797.db2.gz SNFSSJSVVCGAJY-GOSISDBHSA-N 0 0 473.618 4.778 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001360529919 1065510027 /nfs/dbraw/zinc/51/00/27/1065510027.db2.gz OFZJPMHDRNXHLK-CEMLEFRQSA-N 0 0 469.674 4.599 20 0 JJADRN COC(=O)c1sc(I)cc1NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001437112688 1065510782 /nfs/dbraw/zinc/51/07/82/1065510782.db2.gz SRLJLMMIAMWPOR-UHFFFAOYSA-N 0 0 457.289 4.739 20 0 JJADRN COC(=O)c1sc(I)cc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC001437113908 1065510925 /nfs/dbraw/zinc/51/09/25/1065510925.db2.gz NDRVSXQMIXXWFJ-ZDUSSCGKSA-N 0 0 457.333 4.908 20 0 JJADRN CC(C)c1nc([C@H]2CCCN(c3nnc(C(C)C)n3C[C@H](C)Oc3cccc(F)c3)C2)no1 ZINC001360530579 1065511566 /nfs/dbraw/zinc/51/15/66/1065511566.db2.gz BKNKHEYMWWMDKK-ROUUACIJSA-N 0 0 456.566 4.899 20 0 JJADRN CC(C)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](C)Oc1ccccc1 ZINC001360530670 1065511591 /nfs/dbraw/zinc/51/15/91/1065511591.db2.gz DCQQQNNRFGUAKH-QZTJIDSGSA-N 0 0 462.520 4.926 20 0 JJADRN CC(C)CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001437137654 1065511892 /nfs/dbraw/zinc/51/18/92/1065511892.db2.gz HGEUPSCLXYKBRA-CYVLTUHYSA-N 0 0 456.608 4.763 20 0 JJADRN CC(C)CCOc1ccccc1NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC001437136999 1065512095 /nfs/dbraw/zinc/51/20/95/1065512095.db2.gz DDQVBACWRISUDC-GOSISDBHSA-N 0 0 457.575 4.527 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360531042 1065512085 /nfs/dbraw/zinc/51/20/85/1065512085.db2.gz LNHVJXMWNYVASJ-SFHVURJKSA-N 0 0 488.057 4.936 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001437135653 1065512119 /nfs/dbraw/zinc/51/21/19/1065512119.db2.gz DSZQENNWBUDJLX-DHIUTWEWSA-N 0 0 450.966 4.936 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccncc3)C(=O)OC(C)(C)C)sc2C)cc1 ZINC001437137482 1065512194 /nfs/dbraw/zinc/51/21/94/1065512194.db2.gz KWNRHOKGCLEJIW-OAQYLSRUSA-N 0 0 452.576 4.810 20 0 JJADRN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)cc2)C1=O ZINC001437140460 1065512640 /nfs/dbraw/zinc/51/26/40/1065512640.db2.gz AVXXDPXZUHCDGJ-QFIPXVFZSA-N 0 0 457.408 4.615 20 0 JJADRN C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)c1nccs1 ZINC001360531242 1065512688 /nfs/dbraw/zinc/51/26/88/1065512688.db2.gz ORDQCKCZLNCDQD-SJORKVTESA-N 0 0 479.585 4.565 20 0 JJADRN CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)Oc1ccccc1F ZINC001360531371 1065512819 /nfs/dbraw/zinc/51/28/19/1065512819.db2.gz RCZVROBUUQWMDM-QZTJIDSGSA-N 0 0 461.582 4.502 20 0 JJADRN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)c1nccs1)c1ccc(F)cc1 ZINC001360531241 1065512863 /nfs/dbraw/zinc/51/28/63/1065512863.db2.gz ORDQCKCZLNCDQD-IRXDYDNUSA-N 0 0 479.585 4.565 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001360531473 1065513200 /nfs/dbraw/zinc/51/32/00/1065513200.db2.gz SXBQGOICENKVCI-FQEVSTJZSA-N 0 0 471.621 4.627 20 0 JJADRN CC(C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001360531414 1065513413 /nfs/dbraw/zinc/51/34/13/1065513413.db2.gz RXGKRAROTHLEAH-YCRPNKLZSA-N 0 0 458.500 4.538 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC001437144660 1065513825 /nfs/dbraw/zinc/51/38/25/1065513825.db2.gz KPHGXYMFDQOQJZ-IBGZPJMESA-N 0 0 459.546 4.936 20 0 JJADRN 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COc1ccc(CCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1Br ZINC001437155280 1065515502 /nfs/dbraw/zinc/51/55/02/1065515502.db2.gz VUEGUEQPMSPCCX-BHYGNILZSA-N 0 0 468.432 4.899 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1)Sc1ccccc1 ZINC001360534737 1065515690 /nfs/dbraw/zinc/51/56/90/1065515690.db2.gz HYFNWUXYPWVPNB-HNNXBMFYSA-N 0 0 484.427 4.643 20 0 JJADRN C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360535237 1065516803 /nfs/dbraw/zinc/51/68/03/1065516803.db2.gz BGWYVCUDHZAECD-OAHLLOKOSA-N 0 0 465.545 4.648 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1Cl ZINC001437176013 1065516780 /nfs/dbraw/zinc/51/67/80/1065516780.db2.gz BBJAOTWDCBHIBN-DZGCQCFKSA-N 0 0 450.885 4.846 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2C(=O)N(C)C(C)C)cnn1-c1ccc(Br)cc1 ZINC001437182706 1065517246 /nfs/dbraw/zinc/51/72/46/1065517246.db2.gz UGSOQSHCNXYHDM-UHFFFAOYSA-N 0 0 455.356 4.676 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccccc2C(=O)N(C)C(C)C)cc1 ZINC001437181201 1065517338 /nfs/dbraw/zinc/51/73/38/1065517338.db2.gz ZECVPUXAHRROGQ-UHFFFAOYSA-N 0 0 455.562 4.829 20 0 JJADRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1Br ZINC001437183145 1065517371 /nfs/dbraw/zinc/51/73/71/1065517371.db2.gz OPBOWFYPXSXCEF-PRHODGIISA-N 0 0 450.173 4.578 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)Oc1cccc2sccc21 ZINC001437179028 1065517399 /nfs/dbraw/zinc/51/73/99/1065517399.db2.gz JBZYCWCXEOJKOW-GOSISDBHSA-N 0 0 457.349 4.798 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1Br ZINC001437183152 1065517424 /nfs/dbraw/zinc/51/74/24/1065517424.db2.gz OPBOWFYPXSXCEF-QPUJVOFHSA-N 0 0 450.173 4.578 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)N(C)C(=O)OC(C)(C)C ZINC001360535304 1065517520 /nfs/dbraw/zinc/51/75/20/1065517520.db2.gz MSJZTCAKJYXSME-RKVPGOIHSA-N 0 0 496.425 4.757 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001437189375 1065517804 /nfs/dbraw/zinc/51/78/04/1065517804.db2.gz YQSRADMLFMIHJZ-GOEBONIOSA-N 0 0 459.262 4.866 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCc2cccc(C)c2OC)cc1OC ZINC001437187998 1065518004 /nfs/dbraw/zinc/51/80/04/1065518004.db2.gz UNMUFQADZJWLBD-UHFFFAOYSA-N 0 0 457.530 4.804 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1)Oc1cccc(F)c1 ZINC001360536150 1065518707 /nfs/dbraw/zinc/51/87/07/1065518707.db2.gz VIWYEQFBSGGLPE-INIZCTEOSA-N 0 0 499.388 4.684 20 0 JJADRN C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(F)(F)F)c1nccs1 ZINC001360536327 1065518973 /nfs/dbraw/zinc/51/89/73/1065518973.db2.gz XBKJKZLDICMPLA-NSHDSACASA-N 0 0 460.323 4.966 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)F)N(C)C(=O)OC(C)(C)C ZINC001360536467 1065519216 /nfs/dbraw/zinc/51/92/16/1065519216.db2.gz NJUNODGCYJHBMO-CQSZACIVSA-N 0 0 457.953 4.945 20 0 JJADRN C[C@@H]1CCN(c2cc(C(=O)N3CCN(c4cc(Cl)c(Cl)c(Cl)c4)CC3)ccn2)C1 ZINC001437193740 1065519560 /nfs/dbraw/zinc/51/95/60/1065519560.db2.gz RWNBMSAPUCOXND-CQSZACIVSA-N 0 0 453.801 4.850 20 0 JJADRN C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(C)(C)C1)Oc1ccc(F)cc1 ZINC001360536766 1065520199 /nfs/dbraw/zinc/52/01/99/1065520199.db2.gz PXSXTWVSNTWSSE-AWEZNQCLSA-N 0 0 494.434 4.974 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@]1(c2ccc(OCC)cc2)CC1(Cl)Cl)C1CCCCCC1 ZINC001437215180 1065520673 /nfs/dbraw/zinc/52/06/73/1065520673.db2.gz NEURNZBULQUWEM-KNQAVFIVSA-N 0 0 456.410 4.919 20 0 JJADRN C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360537006 1065520751 /nfs/dbraw/zinc/52/07/51/1065520751.db2.gz VRKCLPXAQDGDGE-HZPDHXFCSA-N 0 0 466.051 4.796 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N(CC(=O)OC(C)(C)C)C2CCC2)nnc1-c1ccccc1 ZINC001437220256 1065521430 /nfs/dbraw/zinc/52/14/30/1065521430.db2.gz CJUYOMGHVHIIBV-KRWDZBQOSA-N 0 0 458.628 4.731 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC001360537653 1065521394 /nfs/dbraw/zinc/52/13/94/1065521394.db2.gz JDNDKOQUXYSFOF-HKBQPEDESA-N 0 0 459.999 4.703 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OCCC(C)C)cc2F)c(OC)c1 ZINC001437223193 1065521811 /nfs/dbraw/zinc/52/18/11/1065521811.db2.gz KRGUUIJEYLIFFB-QFIPXVFZSA-N 0 0 458.530 4.511 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(Br)cn2ccnc12 ZINC001360537715 1065521801 /nfs/dbraw/zinc/52/18/01/1065521801.db2.gz KNRBPSOWFBGNHV-MUUNZHRXSA-N 0 0 454.349 4.657 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cccc(C[S@](=O)c4ccccc4)c3)cc2n1 ZINC001360537756 1065521857 /nfs/dbraw/zinc/52/18/57/1065521857.db2.gz LFBUBGSTJDKEFQ-YTTGMZPUSA-N 0 0 458.465 4.617 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC001437221277 1065521915 /nfs/dbraw/zinc/52/19/15/1065521915.db2.gz OYRQXYIEJYYSEK-APWZRJJASA-N 0 0 455.380 4.858 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N(CC(=O)OC(C)(C)C)C2CCC2)nnc1-c1ccccc1 ZINC001437220258 1065521928 /nfs/dbraw/zinc/52/19/28/1065521928.db2.gz CJUYOMGHVHIIBV-QGZVFWFLSA-N 0 0 458.628 4.731 20 0 JJADRN C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001360538173 1065522225 /nfs/dbraw/zinc/52/22/25/1065522225.db2.gz DOBIIWXEJQXNLQ-MJGOQNOKSA-N 0 0 456.624 4.997 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1csc(-c2ccc(F)cc2)n1 ZINC001360537908 1065522235 /nfs/dbraw/zinc/52/22/35/1065522235.db2.gz PAFXOCGCMIEMFL-HNNXBMFYSA-N 0 0 451.445 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001437225044 1065522372 /nfs/dbraw/zinc/52/23/72/1065522372.db2.gz JINAEQLACROHGD-QGZVFWFLSA-N 0 0 456.562 4.866 20 0 JJADRN Cc1c(NC(=O)c2cccnc2SCC2CCCCC2)cccc1S(=O)(=O)NC1CC1 ZINC001360538187 1065522359 /nfs/dbraw/zinc/52/23/59/1065522359.db2.gz DUNJXKGDBKQIAB-UHFFFAOYSA-N 0 0 459.637 4.755 20 0 JJADRN Cc1cc(OCCCC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)ccc1Cl ZINC001360538451 1065522767 /nfs/dbraw/zinc/52/27/67/1065522767.db2.gz KBEFINBJGBZZJH-UHFFFAOYSA-N 0 0 456.967 4.662 20 0 JJADRN Cc1c(NC(=O)c2cccc3cccc(Br)c32)cccc1S(=O)(=O)NC1CC1 ZINC001360538442 1065522793 /nfs/dbraw/zinc/52/27/93/1065522793.db2.gz JPIQEWCHUSEHOP-UHFFFAOYSA-N 0 0 459.365 4.604 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC001437228450 1065522974 /nfs/dbraw/zinc/52/29/74/1065522974.db2.gz FBENDXMGTIXLMB-SFHVURJKSA-N 0 0 454.533 4.822 20 0 JJADRN O=C(Cc1cncn1Cc1ccccc1)NCC1(c2cccc(Br)c2)CCCC1 ZINC001545905335 1065523112 /nfs/dbraw/zinc/52/31/12/1065523112.db2.gz YODSCOANHMJZAO-UHFFFAOYSA-N 0 0 452.396 4.865 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001360538831 1065523353 /nfs/dbraw/zinc/52/33/53/1065523353.db2.gz RZGPRVUALBOTRN-UHFFFAOYSA-N 0 0 457.310 4.501 20 0 JJADRN CCC(CC)(C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001360538564 1065523469 /nfs/dbraw/zinc/52/34/69/1065523469.db2.gz UQXHWUTYCALERW-UHFFFAOYSA-N 0 0 459.608 4.888 20 0 JJADRN CSCC[C@H](C)N(C)C(=O)c1cc(Br)cc(I)c1C ZINC001360538804 1065523479 /nfs/dbraw/zinc/52/34/79/1065523479.db2.gz QVJBUDVNXVZYBL-VIFPVBQESA-N 0 0 456.187 4.576 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(Sc2ccccc2)c1 ZINC001360539187 1065523830 /nfs/dbraw/zinc/52/38/30/1065523830.db2.gz ZBZASFBMUCATKT-UHFFFAOYSA-N 0 0 456.564 4.978 20 0 JJADRN CC(=O)N1N=C(c2ccc(NC(=O)Nc3ccccc3)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000200800296 1065523924 /nfs/dbraw/zinc/52/39/24/1065523924.db2.gz XOBOXWDSIKEMSW-MRXNPFEDSA-N 0 0 456.502 4.605 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCOCC1)N(C)C(=O)OC(C)(C)C ZINC001360540032 1065524469 /nfs/dbraw/zinc/52/44/69/1065524469.db2.gz CTJSGHCWLSGVAN-IBGZPJMESA-N 0 0 471.646 4.725 20 0 JJADRN Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001360540054 1065524480 /nfs/dbraw/zinc/52/44/80/1065524480.db2.gz VINAZMNNCHVKLW-ZDUSSCGKSA-N 0 0 456.340 4.667 20 0 JJADRN COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)c(C2CC2)cc1Cl ZINC001437241754 1065524415 /nfs/dbraw/zinc/52/44/15/1065524415.db2.gz JBFFYSPKXBQDEH-UHFFFAOYSA-N 0 0 454.951 4.646 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2C[C@H](C)OC3(CCCCC3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001437235585 1065524453 /nfs/dbraw/zinc/52/44/53/1065524453.db2.gz LSMOLQKWPUXUGI-OPHFCASCSA-N 0 0 456.627 4.725 20 0 JJADRN COCc1nc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2)s1 ZINC001437234503 1065524476 /nfs/dbraw/zinc/52/44/76/1065524476.db2.gz XQXYQLKIUVUKCP-UHFFFAOYSA-N 0 0 459.612 4.724 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cccs1)N1CCOCC1 ZINC001360540295 1065524846 /nfs/dbraw/zinc/52/48/46/1065524846.db2.gz GEJMVTWAHRGLIJ-OAHLLOKOSA-N 0 0 466.438 4.671 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)nc1 ZINC001437249838 1065525669 /nfs/dbraw/zinc/52/56/69/1065525669.db2.gz BCTPIPPOCQIBOT-JOCHJYFZSA-N 0 0 450.457 4.644 20 0 JJADRN O=C(c1cc(-n2cccc2)ccc1Cl)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001437261268 1065526743 /nfs/dbraw/zinc/52/67/43/1065526743.db2.gz DYYRYVXVCUYBNQ-UHFFFAOYSA-N 0 0 456.731 4.858 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CO)CC1)c1nccs1 ZINC001360541118 1065526888 /nfs/dbraw/zinc/52/68/88/1065526888.db2.gz MHVCMHNAVKEFJM-CYBMUJFWSA-N 0 0 496.862 4.830 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)[C@@H]2COC[C@H]2O1 ZINC001437266056 1065527226 /nfs/dbraw/zinc/52/72/26/1065527226.db2.gz IWWQBIYPVWZPML-RTBURBONSA-N 0 0 464.349 4.656 20 0 JJADRN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001437274699 1065528356 /nfs/dbraw/zinc/52/83/56/1065528356.db2.gz USBUHWRSRDABRX-MRXNPFEDSA-N 0 0 452.382 4.860 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCC[C@H]2CC2(Cl)Cl)[C@@H]1c1ccccc1OC ZINC001437272721 1065528404 /nfs/dbraw/zinc/52/84/04/1065528404.db2.gz LSYXOCWVRMFYDP-MDKPJZGXSA-N 0 0 455.426 4.865 20 0 JJADRN C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541431 1065528542 /nfs/dbraw/zinc/52/85/42/1065528542.db2.gz LKTUDTYVRLJLHM-HKUYNNGSSA-N 0 0 485.629 4.802 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001437283319 1065529586 /nfs/dbraw/zinc/52/95/86/1065529586.db2.gz GETWPDBHRQUWOK-MJBXVCDLSA-N 0 0 456.484 4.557 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1 ZINC001437283992 1065530030 /nfs/dbraw/zinc/53/00/30/1065530030.db2.gz NNRJAZAAWACABD-VSKRKVRLSA-N 0 0 456.970 4.594 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2nccc(Br)c2Cl)cc(C(F)(F)F)c1 ZINC001437283849 1065530083 /nfs/dbraw/zinc/53/00/83/1065530083.db2.gz OBRZPUDMCIKWRD-UHFFFAOYSA-N 0 0 452.614 4.947 20 0 JJADRN O=C(Nc1ccnc(-c2cccc(Br)c2)n1)c1csc(-c2ncccc2F)n1 ZINC001437285000 1065530474 /nfs/dbraw/zinc/53/04/74/1065530474.db2.gz FEGHOZAQQRTVOZ-UHFFFAOYSA-N 0 0 456.300 4.816 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1cccs1)N1CCOCC1 ZINC001360542250 1065531521 /nfs/dbraw/zinc/53/15/21/1065531521.db2.gz ZBIBKFJXOOCDSD-CABCVRRESA-N 0 0 496.500 4.749 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)N(C)[C@H]3CCCc4c(OC)ccc(Cl)c43)CC2=O)cc1 ZINC001437287469 1065531594 /nfs/dbraw/zinc/53/15/94/1065531594.db2.gz KODULWVSPIZTFB-IERDGZPVSA-N 0 0 456.970 4.636 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CCCCC1 ZINC001437286836 1065531699 /nfs/dbraw/zinc/53/16/99/1065531699.db2.gz ZJSGRZOAFIEBHD-UXHICEINSA-N 0 0 458.599 4.901 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1)Oc1ccccc1F ZINC001360542481 1065531951 /nfs/dbraw/zinc/53/19/51/1065531951.db2.gz XARMHVZZJWWBJR-KRWDZBQOSA-N 0 0 473.980 4.589 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC001437288266 1065531959 /nfs/dbraw/zinc/53/19/59/1065531959.db2.gz ORYXYWYDCZKJBP-VXGBXAGGSA-N 0 0 454.390 4.577 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC001437288964 1065532002 /nfs/dbraw/zinc/53/20/02/1065532002.db2.gz QNQQOMVBSRWEFL-VQTJNVASSA-N 0 0 450.913 4.730 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]3C)n2)cc1 ZINC001437288224 1065532141 /nfs/dbraw/zinc/53/21/41/1065532141.db2.gz OOMAILKQQGBYFS-PXNSSMCTSA-N 0 0 456.587 4.697 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)cc2)n1 ZINC001360543443 1065532458 /nfs/dbraw/zinc/53/24/58/1065532458.db2.gz XLMOYWSTKPKJPO-VQTJNVASSA-N 0 0 458.559 4.759 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)cc2)n1 ZINC001360543444 1065532524 /nfs/dbraw/zinc/53/25/24/1065532524.db2.gz XLMOYWSTKPKJPO-WOJBJXKFSA-N 0 0 458.559 4.759 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 ZINC001360542828 1065532611 /nfs/dbraw/zinc/53/26/11/1065532611.db2.gz HFEHZSPBXSJLPA-UHFFFAOYSA-N 0 0 450.560 4.784 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1nccs1 ZINC001360543997 1065533101 /nfs/dbraw/zinc/53/31/01/1065533101.db2.gz AAYVFNUIYBXLMD-MSOLQXFVSA-N 0 0 468.627 4.651 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ccc(C)cc32)c1 ZINC001437296373 1065533394 /nfs/dbraw/zinc/53/33/94/1065533394.db2.gz DGMNEGXFXRYRMR-JOCHJYFZSA-N 0 0 451.544 4.579 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC(F)(F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544341 1065533735 /nfs/dbraw/zinc/53/37/35/1065533735.db2.gz HIKPMNPPUAKGOH-INIZCTEOSA-N 0 0 472.540 4.594 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)N(C)C(=O)OC(C)(C)C ZINC001360544395 1065533872 /nfs/dbraw/zinc/53/38/72/1065533872.db2.gz IISVIWIIQXYAQQ-MSOLQXFVSA-N 0 0 468.577 4.932 20 0 JJADRN CN(C(=O)c1cccc(-c2cnn(C)c2)c1)c1nccc(-c2sccc2Br)n1 ZINC001437298288 1065533976 /nfs/dbraw/zinc/53/39/76/1065533976.db2.gz CDMYWJHXXJXLPJ-UHFFFAOYSA-N 0 0 454.353 4.645 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360544398 1065533909 /nfs/dbraw/zinc/53/39/09/1065533909.db2.gz IISVIWIIQXYAQQ-ZWKOTPCHSA-N 0 0 468.577 4.932 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(C)C[C@H](C)c1nccs1)Oc1cccc(F)c1 ZINC001360544463 1065534295 /nfs/dbraw/zinc/53/42/95/1065534295.db2.gz JQPFNTWOQQUBNK-DLBZAZTESA-N 0 0 452.559 4.643 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544565 1065534472 /nfs/dbraw/zinc/53/44/72/1065534472.db2.gz LLCRGLSJPCZKCX-KRWDZBQOSA-N 0 0 450.587 4.595 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544694 1065534487 /nfs/dbraw/zinc/53/44/87/1065534487.db2.gz OFIUFVUHLSPJHK-PKOBYXMFSA-N 0 0 497.562 4.748 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1I)CC2 ZINC001437301840 1065534400 /nfs/dbraw/zinc/53/44/00/1065534400.db2.gz SSCBCSJHYKKCRB-INIZCTEOSA-N 0 0 456.121 4.779 20 0 JJADRN COc1cccc(C2(C(=O)N3CCOc4c3cc(Br)cc4C(F)(F)F)CC2)c1 ZINC001437303119 1065534470 /nfs/dbraw/zinc/53/44/70/1065534470.db2.gz MZYXYOCQLYPZKX-UHFFFAOYSA-N 0 0 456.258 4.934 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(Cc1ccccc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544847 1065534700 /nfs/dbraw/zinc/53/47/00/1065534700.db2.gz RBZKGJQWFLMWOI-GOSISDBHSA-N 0 0 480.588 4.904 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C)c1nccs1 ZINC001360544831 1065534818 /nfs/dbraw/zinc/53/48/18/1065534818.db2.gz QWXNLXOPVSCJJR-HUUCEWRRSA-N 0 0 476.444 4.972 20 0 JJADRN CN(C(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1nccc(-c2sccc2Br)n1 ZINC001437306660 1065535083 /nfs/dbraw/zinc/53/50/83/1065535083.db2.gz WIDUVDCGABFAIV-HZPDHXFCSA-N 0 0 458.381 4.751 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001360545319 1065536207 /nfs/dbraw/zinc/53/62/07/1065536207.db2.gz BQTHGDMUMBYWDO-JKSUJKDBSA-N 0 0 451.468 4.669 20 0 JJADRN COCCN(C(=O)CCc1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437316463 1065536349 /nfs/dbraw/zinc/53/63/49/1065536349.db2.gz SXSOTCKYHJIEFJ-UHFFFAOYSA-N 0 0 458.986 4.549 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360545742 1065536596 /nfs/dbraw/zinc/53/65/96/1065536596.db2.gz JNGILDYOBYGHPP-HXUWFJFHSA-N 0 0 478.641 4.828 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(Cl)=C(Cl)C1)Oc1cccc(F)c1 ZINC001360545858 1065536921 /nfs/dbraw/zinc/53/69/21/1065536921.db2.gz LVYWHVKMWJMQFR-CQSZACIVSA-N 0 0 450.345 4.790 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360546300 1065537681 /nfs/dbraw/zinc/53/76/81/1065537681.db2.gz QGPOEWVOZNBICE-UYAOXDASSA-N 0 0 499.059 4.536 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCCCCC[C@@H]21)N(C)C(=O)OC(C)(C)C ZINC001360546668 1065538004 /nfs/dbraw/zinc/53/80/04/1065538004.db2.gz SVPGQFBDRCKLQX-AQNXPRMDSA-N 0 0 456.635 4.698 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)[C@@H](C)CO1 ZINC001437338953 1065538673 /nfs/dbraw/zinc/53/86/73/1065538673.db2.gz WNFHZSLTCOWDEH-WMZOPIPTSA-N 0 0 450.535 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CC1(SC)CCC1 ZINC001545906350 1065538707 /nfs/dbraw/zinc/53/87/07/1065538707.db2.gz XEFLOPZAASUZQB-NRFANRHFSA-N 0 0 455.672 4.694 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1OC ZINC001437340127 1065538798 /nfs/dbraw/zinc/53/87/98/1065538798.db2.gz VNCRQGHAQQGHOK-UHFFFAOYSA-N 0 0 453.495 4.641 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CC1(SC)CCC1 ZINC001545906351 1065538978 /nfs/dbraw/zinc/53/89/78/1065538978.db2.gz XEFLOPZAASUZQB-OAQYLSRUSA-N 0 0 455.672 4.694 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)c1cc2cccc(Cl)c2s1)Cc1ccc(C(F)(F)F)cc1 ZINC001437342790 1065539548 /nfs/dbraw/zinc/53/95/48/1065539548.db2.gz DWUUGHJTNFDKCL-CQSZACIVSA-N 0 0 454.901 4.908 20 0 JJADRN Cc1c(C(=O)N2CCC[C@]2(C)Cc2cccc(Cl)c2)nnn1CCOc1ccc(F)cc1 ZINC001437347456 1065539919 /nfs/dbraw/zinc/53/99/19/1065539919.db2.gz QUGYNRKXGIGUMO-XMMPIXPASA-N 0 0 456.949 4.695 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360549235 1065540690 /nfs/dbraw/zinc/54/06/90/1065540690.db2.gz OAWKNKABYGVYSO-RTBURBONSA-N 0 0 498.603 4.573 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001360549403 1065540784 /nfs/dbraw/zinc/54/07/84/1065540784.db2.gz RPPLRDNRZOWZRG-HXUWFJFHSA-N 0 0 478.666 4.604 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccccc1 ZINC001360549351 1065540830 /nfs/dbraw/zinc/54/08/30/1065540830.db2.gz QQDHHXCHUDOUET-MRXNPFEDSA-N 0 0 468.355 4.800 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC2(C1)CCCCC2)N(C)C(=O)OC(C)(C)C ZINC001360549728 1065541314 /nfs/dbraw/zinc/54/13/14/1065541314.db2.gz XUDDIFJCOJJVQR-IBGZPJMESA-N 0 0 454.619 4.756 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2cccs2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360549569 1065541325 /nfs/dbraw/zinc/54/13/25/1065541325.db2.gz VAMFCQYZTICTJL-QGZVFWFLSA-N 0 0 498.653 4.689 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)N(C)C(=O)OC(C)(C)C ZINC001360549611 1065541364 /nfs/dbraw/zinc/54/13/64/1065541364.db2.gz VTFVFIAJYAMHCD-OAHLLOKOSA-N 0 0 476.984 4.958 20 0 JJADRN CCn1c(SCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C)nnc1-c1cccc(C)c1 ZINC001437359476 1065541474 /nfs/dbraw/zinc/54/14/74/1065541474.db2.gz CSDUHRDKENHTST-UHFFFAOYSA-N 0 0 450.543 4.637 20 0 JJADRN CNC(=O)[C@H](CNC(=O)[C@@H](C)Sc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC001437356199 1065541667 /nfs/dbraw/zinc/54/16/67/1065541667.db2.gz XOSDUHAPDJEYJW-HIFRSBDPSA-N 0 0 458.933 4.561 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550217 1065541876 /nfs/dbraw/zinc/54/18/76/1065541876.db2.gz HRELIXSSGCCAGX-SFTDATJTSA-N 0 0 494.640 4.824 20 0 JJADRN C[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1nccs1)N(C)C(=O)OC(C)(C)C ZINC001360550829 1065542361 /nfs/dbraw/zinc/54/23/61/1065542361.db2.gz SDMLHWHIQHRGIH-QGZVFWFLSA-N 0 0 495.653 4.785 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC001437365102 1065542678 /nfs/dbraw/zinc/54/26/78/1065542678.db2.gz QGHWYPCNPIYWCS-UHFFFAOYSA-N 0 0 456.258 4.984 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)C(=O)OC(C)(C)C ZINC001437365516 1065542703 /nfs/dbraw/zinc/54/27/03/1065542703.db2.gz NLRMVXLAMTVEEG-QGZVFWFLSA-N 0 0 454.292 4.676 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001360551594 1065542834 /nfs/dbraw/zinc/54/28/34/1065542834.db2.gz RCDITUZVSATHLU-ZDUSSCGKSA-N 0 0 457.365 4.557 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)c1 ZINC001360551722 1065542933 /nfs/dbraw/zinc/54/29/33/1065542933.db2.gz WWMNSVXBZWONNO-IBGZPJMESA-N 0 0 452.576 4.835 20 0 JJADRN Cc1ccc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CCC2)cc1 ZINC001437371378 1065543464 /nfs/dbraw/zinc/54/34/64/1065543464.db2.gz UGUJORJEFLICJZ-UHFFFAOYSA-N 0 0 454.636 4.715 20 0 JJADRN CCCCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CCc2ncsc2C1 ZINC001437375859 1065543992 /nfs/dbraw/zinc/54/39/92/1065543992.db2.gz YVFHBCICAFQUQH-AWEZNQCLSA-N 0 0 453.402 4.723 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)s2)cc1 ZINC001437376211 1065544007 /nfs/dbraw/zinc/54/40/07/1065544007.db2.gz JVWMYDBPORSKPH-APWZRJJASA-N 0 0 459.612 4.974 20 0 JJADRN C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(F)(F)F)c1nccs1 ZINC001360553521 1065544617 /nfs/dbraw/zinc/54/46/17/1065544617.db2.gz OOGBOYXCMGHFDK-HNNXBMFYSA-N 0 0 461.517 4.780 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCc2cccc(Br)c2C1)N(C)C(=O)OC(C)(C)C ZINC001360553778 1065544740 /nfs/dbraw/zinc/54/47/40/1065544740.db2.gz DCDOEWKGXUWKMI-HNNXBMFYSA-N 0 0 490.446 4.736 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1cccc(F)c1 ZINC001360554317 1065545112 /nfs/dbraw/zinc/54/51/12/1065545112.db2.gz IPGNINGDRMPUFK-LBPRGKRZSA-N 0 0 455.481 4.874 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437383603 1065545958 /nfs/dbraw/zinc/54/59/58/1065545958.db2.gz XDKBFQWSELJJME-FUHWJXTLSA-N 0 0 456.414 4.726 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001437382294 1065546044 /nfs/dbraw/zinc/54/60/44/1065546044.db2.gz RGJHWQHSBLAVAE-VQIMIIECSA-N 0 0 453.421 4.924 20 0 JJADRN C[C@H](C(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(I)cc1 ZINC001437390387 1065546772 /nfs/dbraw/zinc/54/67/72/1065546772.db2.gz XVQSKWIRORTTAM-ZDUSSCGKSA-N 0 0 451.304 4.989 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)s1 ZINC001360557376 1065546861 /nfs/dbraw/zinc/54/68/61/1065546861.db2.gz WOKRLGNZJNNUCE-GOSISDBHSA-N 0 0 450.988 4.538 20 0 JJADRN CC[C@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)s1 ZINC001360557377 1065546991 /nfs/dbraw/zinc/54/69/91/1065546991.db2.gz WOKRLGNZJNNUCE-SFHVURJKSA-N 0 0 450.988 4.538 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C)Oc2ccccc2F)CC1 ZINC001360558483 1065547388 /nfs/dbraw/zinc/54/73/88/1065547388.db2.gz QYVNIUMQMGLSRZ-RBUKOAKNSA-N 0 0 471.621 4.529 20 0 JJADRN C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)N(C)c1ccccc1 ZINC001360558364 1065547409 /nfs/dbraw/zinc/54/74/09/1065547409.db2.gz PFQWPABMGNQOLQ-REWPJTCUSA-N 0 0 482.673 4.906 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)Oc1ccccc1F ZINC001360558443 1065547474 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PHDFQJGWDFNDEK-WBMJQRKESA-N 0 0 452.780 4.633 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1nccs1 ZINC001360560442 1065550997 /nfs/dbraw/zinc/55/09/97/1065550997.db2.gz WWNPZJCXLVWFRK-QZTJIDSGSA-N 0 0 490.674 4.664 20 0 JJADRN CCOc1cccc(CCNC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001545906819 1065551193 /nfs/dbraw/zinc/55/11/93/1065551193.db2.gz NPLYFIDVTQCLLI-JOCHJYFZSA-N 0 0 455.599 4.858 20 0 JJADRN CCOC(=O)NCCCC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001360561231 1065552120 /nfs/dbraw/zinc/55/21/20/1065552120.db2.gz VVLTUUMBVTWKFD-GFCCVEGCSA-N 0 0 454.390 4.585 20 0 JJADRN Cc1cc(COCC(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)no1 ZINC001360561169 1065552180 /nfs/dbraw/zinc/55/21/80/1065552180.db2.gz TYOZOMQLVWYMLC-GFCCVEGCSA-N 0 0 450.358 4.571 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Oc1ccc(OC2CCC2)cc1 ZINC001437440565 1065552372 /nfs/dbraw/zinc/55/23/72/1065552372.db2.gz OLAREESTXPFRSS-AREMUKBSSA-N 0 0 453.535 4.898 20 0 JJADRN O=C(c1cnc(Br)c(Br)c1)N1CCCC[C@H]1Cc1ccccc1F ZINC001437439352 1065552557 /nfs/dbraw/zinc/55/25/57/1065552557.db2.gz GGWUNPLTECSMMZ-AWEZNQCLSA-N 0 0 456.153 4.983 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC001437440930 1065552570 /nfs/dbraw/zinc/55/25/70/1065552570.db2.gz IFCUTFGYWFUFFB-DLBZAZTESA-N 0 0 458.605 4.629 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)Oc1ccc(F)cc1 ZINC001360562743 1065552671 /nfs/dbraw/zinc/55/26/71/1065552671.db2.gz FPAVJNYLXZCANS-RGCFKVTRSA-N 0 0 456.484 4.761 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCc3ccc(C(C)C)cc3C2)C1 ZINC001437448381 1065553537 /nfs/dbraw/zinc/55/35/37/1065553537.db2.gz SMIFRRBVKMJLRY-SQHAQQRYSA-N 0 0 450.579 4.511 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC001437449495 1065553621 /nfs/dbraw/zinc/55/36/21/1065553621.db2.gz ZYFAWYSRJISEPD-FQEVSTJZSA-N 0 0 454.636 4.880 20 0 JJADRN 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1065578500 /nfs/dbraw/zinc/57/85/00/1065578500.db2.gz FZXQRUWTHLJYDJ-RCZSKKKRSA-N 0 0 451.586 4.786 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C=C\c2ccc(I)o2)c2ccccc2)cc1 ZINC001437576864 1065579679 /nfs/dbraw/zinc/57/96/79/1065579679.db2.gz KSVWPGXOUBACAV-KGXYIWNSSA-N 0 0 459.283 4.812 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC001360582552 1065579521 /nfs/dbraw/zinc/57/95/21/1065579521.db2.gz UYBDXSFFRIWORZ-JIYROHSKSA-N 0 0 459.514 4.619 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@@H]3c3c(C)cccc3C)n2)CCCCCC1 ZINC001437578304 1065580160 /nfs/dbraw/zinc/58/01/60/1065580160.db2.gz ASKQMCWGBOTVFG-OAQYLSRUSA-N 0 0 452.599 4.668 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC001437582678 1065581152 /nfs/dbraw/zinc/58/11/52/1065581152.db2.gz XXMXDLUYMJBJNY-NRFANRHFSA-N 0 0 454.320 4.764 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)c(C)c1 ZINC001437581447 1065581186 /nfs/dbraw/zinc/58/11/86/1065581186.db2.gz 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PWSPNELIAHZWLJ-UHFFFAOYSA-N 0 0 456.315 4.627 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCc3cnc(C(F)(F)F)nc3)cc12 ZINC001437651166 1065588216 /nfs/dbraw/zinc/58/82/16/1065588216.db2.gz GGDJUNBHVJLZJS-UHFFFAOYSA-N 0 0 451.861 4.788 20 0 JJADRN C[C@H](Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360587354 1065588562 /nfs/dbraw/zinc/58/85/62/1065588562.db2.gz MHVDOWXNLDQQDN-RTBURBONSA-N 0 0 489.636 4.875 20 0 JJADRN COC(=O)c1sc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)CN(C(=O)OC(C)(C)C)C2 ZINC001437663430 1065589129 /nfs/dbraw/zinc/58/91/29/1065589129.db2.gz DSWTWMPMZLKYLW-UONOGXRCSA-N 0 0 478.517 4.806 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)n(-c2ccccc2)n1 ZINC001545908451 1065589181 /nfs/dbraw/zinc/58/91/81/1065589181.db2.gz HTHYUYWQFZKZCE-OAHLLOKOSA-N 0 0 451.477 4.533 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)n(-c2ccccc2)n1 ZINC001545908450 1065589243 /nfs/dbraw/zinc/58/92/43/1065589243.db2.gz HTHYUYWQFZKZCE-HNNXBMFYSA-N 0 0 451.477 4.533 20 0 JJADRN O=C(Nc1c(Br)ncc2ccccc21)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001437669227 1065590187 /nfs/dbraw/zinc/59/01/87/1065590187.db2.gz PAINVSPNLHXWAK-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001437670430 1065590243 /nfs/dbraw/zinc/59/02/43/1065590243.db2.gz ZGQHLTZMZOXRJC-DAXSKMNVSA-N 0 0 458.358 4.898 20 0 JJADRN C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1nccs1 ZINC001360588080 1065591202 /nfs/dbraw/zinc/59/12/02/1065591202.db2.gz RMCQDOKSCOFVIZ-OSPHWJPCSA-N 0 0 473.618 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cnc([C@H]4CCCO4)s3)cc2)C1 ZINC001437688441 1065591429 /nfs/dbraw/zinc/59/14/29/1065591429.db2.gz UVZICKCZXWLKBL-QZTJIDSGSA-N 0 0 459.568 4.555 20 0 JJADRN C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001545908798 1065591563 /nfs/dbraw/zinc/59/15/63/1065591563.db2.gz OCNLNTAXMDUVRF-USHXRURQSA-N 0 0 460.615 4.512 20 0 JJADRN 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ZINC001360588652 1065592845 /nfs/dbraw/zinc/59/28/45/1065592845.db2.gz AYXPWHASNYKVDR-IBGZPJMESA-N 0 0 450.626 4.663 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2cn3c(Br)cnc3s2)cc1F ZINC001360588892 1065593346 /nfs/dbraw/zinc/59/33/46/1065593346.db2.gz JQCHXLBFCASPMM-UHFFFAOYSA-N 0 0 450.289 4.746 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@@H]1C)Oc1ccccc1F ZINC001360590409 1065595718 /nfs/dbraw/zinc/59/57/18/1065595718.db2.gz IUQHWETTXBZJEZ-LXGFNABISA-N 0 0 462.635 4.745 20 0 JJADRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)C12CCC2 ZINC001437724057 1065595694 /nfs/dbraw/zinc/59/56/94/1065595694.db2.gz KOGDQGVPFGAOFQ-CVEARBPZSA-N 0 0 459.222 4.997 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc3c(c2)COC(=O)N3)cc1 ZINC001437718441 1065595736 /nfs/dbraw/zinc/59/57/36/1065595736.db2.gz ZGYKWYRLWKMLLX-UHFFFAOYSA-N 0 0 454.529 4.556 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1)Oc1ccccc1 ZINC001360590663 1065596202 /nfs/dbraw/zinc/59/62/02/1065596202.db2.gz NTAKXDOKLHZXGV-XPNTWCBSSA-N 0 0 499.656 4.680 20 0 JJADRN CC[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC001437728391 1065596243 /nfs/dbraw/zinc/59/62/43/1065596243.db2.gz NGIXOVLRLPLAHE-QFIPXVFZSA-N 0 0 457.603 4.949 20 0 JJADRN Cc1c(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001437731478 1065596339 /nfs/dbraw/zinc/59/63/39/1065596339.db2.gz JQSNJSRFHYVVDM-FQEVSTJZSA-N 0 0 451.395 4.691 20 0 JJADRN CC[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC001437727737 1065596462 /nfs/dbraw/zinc/59/64/62/1065596462.db2.gz NGIXOVLRLPLAHE-JOCHJYFZSA-N 0 0 457.603 4.949 20 0 JJADRN CCc1nc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)nn1-c1c(Cl)cccc1Cl ZINC001437731249 1065596478 /nfs/dbraw/zinc/59/64/78/1065596478.db2.gz VUFMVEOCEOCKLK-JKSUJKDBSA-N 0 0 451.398 4.993 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)c1nccs1 ZINC001360590801 1065596831 /nfs/dbraw/zinc/59/68/31/1065596831.db2.gz QRNWPWKMEHKJJR-SQNIBIBYSA-N 0 0 490.674 4.614 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCSC1)Oc1ccccc1F ZINC001360590904 1065597451 /nfs/dbraw/zinc/59/74/51/1065597451.db2.gz SKJUWSDFZLYRJR-BMQTXXJKSA-N 0 0 462.635 4.745 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360591142 1065597803 /nfs/dbraw/zinc/59/78/03/1065597803.db2.gz XROJORPTKZUHEV-MIZPHKNDSA-N 0 0 485.698 4.688 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C)O[C@@H](C)C2 ZINC001545909060 1065598400 /nfs/dbraw/zinc/59/84/00/1065598400.db2.gz VKCFMDMGKDSENV-ZDUSSCGKSA-N 0 0 454.910 4.756 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC3)c(Cl)cc1Cl ZINC001437741237 1065598459 /nfs/dbraw/zinc/59/84/59/1065598459.db2.gz ZLVRFPINEPHBIX-GFCCVEGCSA-N 0 0 457.379 4.648 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)n(-c2ccccc2)n1 ZINC001545909217 1065599451 /nfs/dbraw/zinc/59/94/51/1065599451.db2.gz YTEUXTLJEVKYDF-PGRDOPGGSA-N 0 0 456.631 4.803 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1)OCc1ccccc1 ZINC001437752260 1065600842 /nfs/dbraw/zinc/60/08/42/1065600842.db2.gz NUDFHQBSAASPMC-UWUNEBHHSA-N 0 0 457.502 4.656 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3cc(Br)cc4c3OCCO4)nc2)c1 ZINC001437754994 1065601296 /nfs/dbraw/zinc/60/12/96/1065601296.db2.gz XJNVWLPPZMSJHV-UHFFFAOYSA-N 0 0 456.296 4.620 20 0 JJADRN CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1nc2cc(Br)ccc2s1 ZINC001437755745 1065602211 /nfs/dbraw/zinc/60/22/11/1065602211.db2.gz UGIONDDHTIFQCB-LJQANCHMSA-N 0 0 454.390 4.669 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2nccc(C3CC3)n2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001437767334 1065602922 /nfs/dbraw/zinc/60/29/22/1065602922.db2.gz IPXILCMDUAKCAT-UHFFFAOYSA-N 0 0 456.424 4.643 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1nscc1Br)CCC2 ZINC001437768580 1065603119 /nfs/dbraw/zinc/60/31/19/1065603119.db2.gz JBOQRDOWAWWVDW-UHFFFAOYSA-N 0 0 452.374 4.523 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001437770963 1065603836 /nfs/dbraw/zinc/60/38/36/1065603836.db2.gz QFNGNTFWZOZOQP-AZUAARDMSA-N 0 0 461.787 4.627 20 0 JJADRN COc1ccc(COCC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cc1 ZINC001437777355 1065604621 /nfs/dbraw/zinc/60/46/21/1065604621.db2.gz XQWTXAFWZXDKRU-UHFFFAOYSA-N 0 0 452.198 4.651 20 0 JJADRN O=C(COCCOc1ccccc1)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001437777311 1065604740 /nfs/dbraw/zinc/60/47/40/1065604740.db2.gz WKDWYWWWIPMVSE-UHFFFAOYSA-N 0 0 452.198 4.521 20 0 JJADRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001437775531 1065604761 /nfs/dbraw/zinc/60/47/61/1065604761.db2.gz GNEJUUWTRVUPDF-UHFFFAOYSA-N 0 0 456.306 4.753 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccc(Br)c3ncccc23)nc2ccccc21 ZINC001437779653 1065605280 /nfs/dbraw/zinc/60/52/80/1065605280.db2.gz AFIWRZVGNCQFDR-UHFFFAOYSA-N 0 0 452.308 4.823 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC001437788294 1065605368 /nfs/dbraw/zinc/60/53/68/1065605368.db2.gz FBDXCQDFAMCHMS-SFHVURJKSA-N 0 0 453.568 4.670 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1 ZINC001360595759 1065607485 /nfs/dbraw/zinc/60/74/85/1065607485.db2.gz FLQSVEPCJBFXAC-NRFANRHFSA-N 0 0 452.551 4.511 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001360595900 1065608282 /nfs/dbraw/zinc/60/82/82/1065608282.db2.gz JVPGXUUNVGUWAJ-KRWDZBQOSA-N 0 0 457.502 4.649 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC001437794638 1065608476 /nfs/dbraw/zinc/60/84/76/1065608476.db2.gz YUEHAPDOZCLGGH-UHFFFAOYSA-N 0 0 451.445 4.740 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cc(Br)ccc1Br ZINC001437794863 1065608574 /nfs/dbraw/zinc/60/85/74/1065608574.db2.gz AOUFDSDIUBAGPM-UKRRQHHQSA-N 0 0 479.090 4.876 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1F ZINC001437794935 1065609201 /nfs/dbraw/zinc/60/92/01/1065609201.db2.gz MSKOZIQCJIJWBR-ZDUSSCGKSA-N 0 0 452.413 4.966 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001437796046 1065609312 /nfs/dbraw/zinc/60/93/12/1065609312.db2.gz YIIZCWHGXVHVKY-QUCCMNQESA-N 0 0 477.609 4.884 20 0 JJADRN C[Si](C)(C)c1ccc(CCNC(=O)c2c(Br)cccc2Br)cc1 ZINC001437800614 1065610898 /nfs/dbraw/zinc/61/08/98/1065610898.db2.gz YAEJKFQWOKENLZ-UHFFFAOYSA-N 0 0 455.266 4.729 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cn1 ZINC001437800938 1065611780 /nfs/dbraw/zinc/61/17/80/1065611780.db2.gz XJDFUVFEARKJNT-OXQOHEQNSA-N 0 0 455.356 4.511 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 ZINC001437802125 1065611911 /nfs/dbraw/zinc/61/19/11/1065611911.db2.gz WJJDZJHBLDQSMO-MXVIHJGJSA-N 0 0 453.608 4.615 20 0 JJADRN C[C@@H](NC(=O)CSC(=S)N1CCC(C)CC1)c1cc(F)c(Br)cc1F ZINC001437809126 1065612723 /nfs/dbraw/zinc/61/27/23/1065612723.db2.gz CPJDMRDAXATMLG-LLVKDONJSA-N 0 0 451.402 4.655 20 0 JJADRN Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)nc1C(F)(F)F ZINC001437813852 1065613295 /nfs/dbraw/zinc/61/32/95/1065613295.db2.gz VMDUNRMNZJNJPX-VIFPVBQESA-N 0 0 454.237 4.864 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC001437815028 1065614311 /nfs/dbraw/zinc/61/43/11/1065614311.db2.gz LJASDKVMAKVAGG-LEWJYISDSA-N 0 0 458.505 4.714 20 0 JJADRN COC(=O)[C@]1(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCc2cc(Br)ccc2C1 ZINC001437815462 1065614429 /nfs/dbraw/zinc/61/44/29/1065614429.db2.gz IPXLFCYXODRGIN-YJLYGGOZSA-N 0 0 456.380 4.550 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)CCN1C(=O)OC(C)(C)C ZINC001437816131 1065614963 /nfs/dbraw/zinc/61/49/63/1065614963.db2.gz PSSPJVBXQIBXPA-BJKOFHAPSA-N 0 0 479.621 4.596 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2ccc(OC)cc2OC)nnc1-c1ccccc1 ZINC001437822033 1065615730 /nfs/dbraw/zinc/61/57/30/1065615730.db2.gz VDZHEBZFAVZMAX-IRXDYDNUSA-N 0 0 454.596 4.903 20 0 JJADRN Cn1cc(NC(=O)CCc2cc(Br)c(Br)s2)c(-c2ccco2)n1 ZINC001437825116 1065615839 /nfs/dbraw/zinc/61/58/39/1065615839.db2.gz SDTSWNHZXTZAFF-UHFFFAOYSA-N 0 0 459.163 4.838 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC001360597832 1065616106 /nfs/dbraw/zinc/61/61/06/1065616106.db2.gz RPJJNOBMXKDOAF-SFHVURJKSA-N 0 0 456.633 4.983 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001437837874 1065616759 /nfs/dbraw/zinc/61/67/59/1065616759.db2.gz GTMZISPZEOMVFL-FDDCHVKYSA-N 0 0 477.026 4.507 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001360598181 1065617567 /nfs/dbraw/zinc/61/75/67/1065617567.db2.gz XDYCCERTZXCQBE-IBGZPJMESA-N 0 0 458.587 4.870 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC001437838223 1065617675 /nfs/dbraw/zinc/61/76/75/1065617675.db2.gz JTWBQUVPNRMJIO-SXSPYAJSSA-N 0 0 465.594 4.743 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)cc2s1 ZINC001437838420 1065617689 /nfs/dbraw/zinc/61/76/89/1065617689.db2.gz MOGUIGBMZUSRKZ-IAGOWNOFSA-N 0 0 456.637 4.675 20 0 JJADRN O=C(CCn1cc(Br)cn1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001437848023 1065619123 /nfs/dbraw/zinc/61/91/23/1065619123.db2.gz JFUDSRVNEJHTDQ-AWEZNQCLSA-N 0 0 459.207 4.542 20 0 JJADRN CC[C@@H](C)c1cccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)c1 ZINC001437856573 1065620998 /nfs/dbraw/zinc/62/09/98/1065620998.db2.gz ZNHNYOCCNUYERZ-MRXNPFEDSA-N 0 0 455.580 4.737 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC001360600043 1065622396 /nfs/dbraw/zinc/62/23/96/1065622396.db2.gz BOXDSFPWKFTJBJ-UHFFFAOYSA-N 0 0 453.836 4.704 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001437873522 1065623210 /nfs/dbraw/zinc/62/32/10/1065623210.db2.gz IVWSWBVHKCWLCE-JOCHJYFZSA-N 0 0 454.954 4.548 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001437873304 1065623396 /nfs/dbraw/zinc/62/33/96/1065623396.db2.gz RYHCSIPSLKAVTG-OMSIOTLMSA-N 0 0 457.546 4.501 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545910580 1065624118 /nfs/dbraw/zinc/62/41/18/1065624118.db2.gz BSBOOIFUJBMUGA-FPGHNAPASA-N 0 0 474.675 4.651 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2nc(C3(C)CC3)ns2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001437876147 1065624216 /nfs/dbraw/zinc/62/42/16/1065624216.db2.gz TVYRYTSWHKMBES-WBMJQRKESA-N 0 0 450.967 4.709 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC001437884558 1065625034 /nfs/dbraw/zinc/62/50/34/1065625034.db2.gz GXIIROKWORRCBH-DRSNIGMVSA-N 0 0 458.505 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC(C)(C)c1ccccn1 ZINC001545910634 1065625144 /nfs/dbraw/zinc/62/51/44/1065625144.db2.gz FBMUUGPBJAJLJW-QHCPKHFHSA-N 0 0 490.652 4.537 20 0 JJADRN COCCS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccc3ccccc3c2)C(F)(F)F)cc1 ZINC001437892783 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COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC001438146883 1065679574 /nfs/dbraw/zinc/67/95/74/1065679574.db2.gz JGAWGMOKHMZSQU-JOCHJYFZSA-N 0 0 456.505 4.600 20 0 JJADRN COc1cccc(CN2CCN(C(=O)c3ccccc3SCc3csc(C)n3)CC2)c1 ZINC001438145585 1065679584 /nfs/dbraw/zinc/67/95/84/1065679584.db2.gz FTKNGARXMHEYOH-UHFFFAOYSA-N 0 0 453.633 4.710 20 0 JJADRN Cc1ccc(C[C@]2(C)CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC001438144938 1065679670 /nfs/dbraw/zinc/67/96/70/1065679670.db2.gz YVKFKBRBVXUZFL-SANMLTNESA-N 0 0 454.636 4.797 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC001438150777 1065680617 /nfs/dbraw/zinc/68/06/17/1065680617.db2.gz ILFKGJKVYSEXCP-ZVEUQFOJSA-N 0 0 452.620 4.824 20 0 JJADRN C[C@H](NC(=O)c1cnc(Cl)c(Br)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631390 1065680716 /nfs/dbraw/zinc/68/07/16/1065680716.db2.gz PNHYHLMYNXUNIW-LBPRGKRZSA-N 0 0 459.731 4.636 20 0 JJADRN CSc1ncc(C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)n1-c1ccc(F)cc1 ZINC001360631365 1065680757 /nfs/dbraw/zinc/68/07/57/1065680757.db2.gz PCJWBVFSDVUXCM-FQEVSTJZSA-N 0 0 455.555 4.621 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC001438150774 1065680828 /nfs/dbraw/zinc/68/08/28/1065680828.db2.gz ILFKGJKVYSEXCP-VRAWNYFSSA-N 0 0 452.620 4.824 20 0 JJADRN Cc1cc(Br)c(C(=O)Oc2cc(Cl)cnc2I)s1 ZINC001438152025 1065681378 /nfs/dbraw/zinc/68/13/78/1065681378.db2.gz OKZPQGRVVOEESW-UHFFFAOYSA-N 0 0 458.502 4.691 20 0 JJADRN O=C(Oc1cccc(OC(F)(F)F)c1Br)c1ccc(CN2CCCC2=O)cc1 ZINC001438152471 1065681445 /nfs/dbraw/zinc/68/14/45/1065681445.db2.gz CQPAHYOVNSLQQK-UHFFFAOYSA-N 0 0 458.230 4.689 20 0 JJADRN CCCOc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1F ZINC001438158354 1065683300 /nfs/dbraw/zinc/68/33/00/1065683300.db2.gz RDJBJGYUAPPBSQ-UHFFFAOYSA-N 0 0 458.349 4.568 20 0 JJADRN CCCOc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cc1C ZINC001438163899 1065683353 /nfs/dbraw/zinc/68/33/53/1065683353.db2.gz OYGPZBLNSLAJHD-UHFFFAOYSA-N 0 0 458.514 4.841 20 0 JJADRN COCc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1OC ZINC001438158283 1065683469 /nfs/dbraw/zinc/68/34/69/1065683469.db2.gz QCWXPBZYNSMHIO-UHFFFAOYSA-N 0 0 457.530 4.884 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001360632198 1065683931 /nfs/dbraw/zinc/68/39/31/1065683931.db2.gz KUZHNDTZFMNFLS-HNNXBMFYSA-N 0 0 499.368 4.962 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC=CCO2)CC1)C(F)(F)F ZINC001360632256 1065683958 /nfs/dbraw/zinc/68/39/58/1065683958.db2.gz LUHQJYHUKHVGFD-HOCLYGCPSA-N 0 0 490.357 4.670 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCC(F)(F)C2)CC1)C(F)(F)F ZINC001360632353 1065684907 /nfs/dbraw/zinc/68/49/07/1065684907.db2.gz NSJMIRLVEPMNEK-IRXDYDNUSA-N 0 0 472.506 4.629 20 0 JJADRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4NC(=O)OC(C)(C)C)cc21 ZINC001438167568 1065685012 /nfs/dbraw/zinc/68/50/12/1065685012.db2.gz WLXLYACCPIFQSG-FPHYPCCHSA-N 0 0 455.599 4.815 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C/C=C\c2ccccc2)CC1)C(F)(F)F ZINC001360632583 1065685649 /nfs/dbraw/zinc/68/56/49/1065685649.db2.gz RSTBJGRHNICDLH-CTEOGUNLSA-N 0 0 476.934 4.780 20 0 JJADRN C[C@@H](N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCCCC2)CC1)C(F)(F)F ZINC001360632612 1065685690 /nfs/dbraw/zinc/68/56/90/1065685690.db2.gz SGNMDNURLBHVCD-LJQANCHMSA-N 0 0 478.607 4.687 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccsc2)CC1)C(F)(F)F ZINC001360632470 1065685704 /nfs/dbraw/zinc/68/57/04/1065685704.db2.gz PPCFSURRVNLXQY-CQSZACIVSA-N 0 0 455.937 4.781 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc21 ZINC001360633300 1065687402 /nfs/dbraw/zinc/68/74/02/1065687402.db2.gz LZHRXIGJZYDJER-LLVKDONJSA-N 0 0 456.167 4.978 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCN1C(=O)OC(C)(C)C ZINC001438177348 1065687558 /nfs/dbraw/zinc/68/75/58/1065687558.db2.gz JMEOGILNRSSATJ-DYVFJYSZSA-N 0 0 469.529 4.886 20 0 JJADRN Cc1cnccc1/C=C\C(=O)Nc1cc(Br)cc(I)c1C 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OUMWJWKUAUSFOR-KNQAVFIVSA-N 0 0 482.673 4.790 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)CC2c3ccccc3Oc3ccccc32)CCOCC1 ZINC001438212225 1065697713 /nfs/dbraw/zinc/69/77/13/1065697713.db2.gz NEZPOUXUOYGMKP-UHFFFAOYSA-N 0 0 452.551 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCc2ccsc2C(F)(F)F)(c2ccccc2)C1 ZINC001438215576 1065699277 /nfs/dbraw/zinc/69/92/77/1065699277.db2.gz CCFNCJNUPLUCSD-OAQYLSRUSA-N 0 0 454.514 4.962 20 0 JJADRN C[C@H](N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@H]2CF)CC1)C(F)(F)F ZINC001360637280 1065699953 /nfs/dbraw/zinc/69/99/53/1065699953.db2.gz UFGRFUCIMWXWLE-ABSDTBQOSA-N 0 0 483.554 4.758 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc(F)ccc1I ZINC001438224385 1065700079 /nfs/dbraw/zinc/70/00/79/1065700079.db2.gz YUMXSZNULFFJGX-OAHLLOKOSA-N 0 0 450.295 4.673 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCC2CCOCC2)C1 ZINC001360637413 1065700554 /nfs/dbraw/zinc/70/05/54/1065700554.db2.gz VZPKUXGPMMGZJT-REWPJTCUSA-N 0 0 498.672 4.677 20 0 JJADRN 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1065702090 /nfs/dbraw/zinc/70/20/90/1065702090.db2.gz BDVZUEKBKPEHMJ-IBGZPJMESA-N 0 0 495.672 4.596 20 0 JJADRN COC(=O)c1oc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1C ZINC001438249851 1065702236 /nfs/dbraw/zinc/70/22/36/1065702236.db2.gz YVVXMFVDRKGSJE-FQEVSTJZSA-N 0 0 458.308 4.574 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1NC(=O)CC(C)C ZINC001438254691 1065702708 /nfs/dbraw/zinc/70/27/08/1065702708.db2.gz KSHNODIKQQZZKH-IYERYRBDSA-N 0 0 457.615 4.886 20 0 JJADRN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1NC(=O)CC(C)C ZINC001438254684 1065702723 /nfs/dbraw/zinc/70/27/23/1065702723.db2.gz KSHNODIKQQZZKH-IVOMFYJKSA-N 0 0 457.615 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)[C@H]3COc4ccc(Cl)cc4C3)cccc2C1 ZINC001438259830 1065703766 /nfs/dbraw/zinc/70/37/66/1065703766.db2.gz XERMEUQKXVWYEG-LJQANCHMSA-N 0 0 456.970 4.501 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2F)CC1 ZINC001360638594 1065703601 /nfs/dbraw/zinc/70/36/01/1065703601.db2.gz GFBHXRQQXOUUMT-SFHVURJKSA-N 0 0 480.588 4.657 20 0 JJADRN CC1(C)CN(C(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)c2ccc(Cl)cc21 ZINC001438262136 1065704170 /nfs/dbraw/zinc/70/41/70/1065704170.db2.gz MMMJCBLWBJYPIA-UHFFFAOYSA-N 0 0 456.255 4.926 20 0 JJADRN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1nn(-c2ncccc2Cl)cc1Br ZINC001438262395 1065704333 /nfs/dbraw/zinc/70/43/33/1065704333.db2.gz ACGRPYLHQMMVCF-UHFFFAOYSA-N 0 0 453.699 4.618 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001438270735 1065704711 /nfs/dbraw/zinc/70/47/11/1065704711.db2.gz ZTXBIFPAVSPEES-UHFFFAOYSA-N 0 0 451.455 4.907 20 0 JJADRN CC(C)COc1cc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)ncn1 ZINC001438264666 1065704871 /nfs/dbraw/zinc/70/48/71/1065704871.db2.gz BUMGUABZDZKRCQ-UHFFFAOYSA-N 0 0 456.612 4.647 20 0 JJADRN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001438275662 1065705297 /nfs/dbraw/zinc/70/52/97/1065705297.db2.gz AMXPXNGXQZQCQR-OXQOHEQNSA-N 0 0 459.359 4.736 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C1 ZINC001360638923 1065705432 /nfs/dbraw/zinc/70/54/32/1065705432.db2.gz LHNOGCSMNQRXRW-FXJWSJNKSA-N 0 0 490.048 4.907 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCNc2ccccn2)C1 ZINC001360638956 1065705837 /nfs/dbraw/zinc/70/58/37/1065705837.db2.gz LPGAKNFTSAZLBL-IRLDBZIGSA-N 0 0 491.640 4.582 20 0 JJADRN Cc1ncc([C@@H](C)NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)s1 ZINC001438288586 1065705956 /nfs/dbraw/zinc/70/59/56/1065705956.db2.gz JIBSBJCFGNXKON-CQSZACIVSA-N 0 0 453.568 4.808 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)cc2F)n1 ZINC001438279577 1065705981 /nfs/dbraw/zinc/70/59/81/1065705981.db2.gz JCELFGRRZVAXAY-SFHVURJKSA-N 0 0 453.367 4.856 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC2CC(C)(C)C2)C1 ZINC001360639067 1065706333 /nfs/dbraw/zinc/70/63/33/1065706333.db2.gz MWCWRWOWDREKRU-TZIWHRDSSA-N 0 0 482.673 4.830 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CCn2cnc3ccccc32)CC1 ZINC001360639116 1065706366 /nfs/dbraw/zinc/70/63/66/1065706366.db2.gz NKOXESXFEHGPGD-LJQANCHMSA-N 0 0 495.672 4.755 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCc2cccnc2)C1 ZINC001360639129 1065706515 /nfs/dbraw/zinc/70/65/15/1065706515.db2.gz NNCYXBYGWOQOHP-OFNKIYASSA-N 0 0 482.673 4.778 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(F)c2F)C1 ZINC001360639211 1065706821 /nfs/dbraw/zinc/70/68/21/1065706821.db2.gz NVVZDUWJGJSOCL-XLIONFOSSA-N 0 0 498.578 4.601 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CCc2cccs2)C1 ZINC001360639393 1065707283 /nfs/dbraw/zinc/70/72/83/1065707283.db2.gz OYTXGGWWIZKBDV-HKUYNNGSSA-N 0 0 459.660 4.664 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC2(C)CCOCC2)C1 ZINC001360639425 1065707475 /nfs/dbraw/zinc/70/74/75/1065707475.db2.gz PRTYJEQXVAKFFR-IFMALSPDSA-N 0 0 489.705 4.957 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccc(C2SCCCS2)cc1 ZINC001438314533 1065707631 /nfs/dbraw/zinc/70/76/31/1065707631.db2.gz ZVBWFJVJNNAISZ-KRWDZBQOSA-N 0 0 450.988 4.883 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2OCC[C@H]2C)C1 ZINC001360639605 1065707754 /nfs/dbraw/zinc/70/77/54/1065707754.db2.gz QXCHDCRKAJODQA-CJTFWIGWSA-N 0 0 497.684 4.618 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccsc2)CC1 ZINC001360639590 1065707783 /nfs/dbraw/zinc/70/77/83/1065707783.db2.gz QQEANOKRCANFDG-SFHVURJKSA-N 0 0 482.654 4.774 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCc2ccsc2)C1 ZINC001360639587 1065707838 /nfs/dbraw/zinc/70/78/38/1065707838.db2.gz QOGORZLUSJMMFU-SIKLNZKXSA-N 0 0 496.681 4.698 20 0 JJADRN COC(=O)[C@H]1Cc2c(cccc2C)N1C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001438317761 1065708550 /nfs/dbraw/zinc/70/85/50/1065708550.db2.gz DINFDMDKTRWELG-GOSISDBHSA-N 0 0 457.349 4.626 20 0 JJADRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2OC)c1C ZINC001438317414 1065708642 /nfs/dbraw/zinc/70/86/42/1065708642.db2.gz DWMPMOCPJPEBDX-UHFFFAOYSA-N 0 0 459.955 4.750 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccncc2)C1 ZINC001360639855 1065708746 /nfs/dbraw/zinc/70/87/46/1065708746.db2.gz SINPWSZOFGXGAG-AZUAARDMSA-N 0 0 497.043 4.976 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(Br)cccc1Br ZINC001360640514 1065709775 /nfs/dbraw/zinc/70/97/75/1065709775.db2.gz YHQSKMBQAUTFQD-CQSZACIVSA-N 0 0 452.190 4.558 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001360640510 1065709831 /nfs/dbraw/zinc/70/98/31/1065709831.db2.gz WUCLYEYVPSABRM-LJQANCHMSA-N 0 0 499.700 4.981 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCC2(C)C)C1 ZINC001360640206 1065710007 /nfs/dbraw/zinc/71/00/07/1065710007.db2.gz VCLKNIBQRPKKJX-XUVXKRRUSA-N 0 0 470.662 4.849 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2=CCCCC2)CC1 ZINC001360640626 1065710399 /nfs/dbraw/zinc/71/03/99/1065710399.db2.gz XFXVWHVSGAQLNW-IBGZPJMESA-N 0 0 483.661 4.699 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2=CCCCC2)CC1 ZINC001360640627 1065710429 /nfs/dbraw/zinc/71/04/29/1065710429.db2.gz XFXVWHVSGAQLNW-LJQANCHMSA-N 0 0 483.661 4.699 20 0 JJADRN CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360640860 1065710939 /nfs/dbraw/zinc/71/09/39/1065710939.db2.gz AEYKMHKVNLOEMO-CTNGQTDRSA-N 0 0 470.662 4.686 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCC2(F)CCC2)C1 ZINC001360640854 1065710985 /nfs/dbraw/zinc/71/09/85/1065710985.db2.gz ACKSIKGVRXPDNO-MJGOQNOKSA-N 0 0 477.650 4.952 20 0 JJADRN Cc1ccc(N(C(=O)c2cccc(I)c2C)C2CCOCC2)cc1F ZINC001438341533 1065712079 /nfs/dbraw/zinc/71/20/79/1065712079.db2.gz NHAGETDRJMSDJJ-UHFFFAOYSA-N 0 0 453.295 4.873 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccccc2)CC1 ZINC001360641026 1065712010 /nfs/dbraw/zinc/71/20/10/1065712010.db2.gz BSLHGBNWHXFUEA-OFNKIYASSA-N 0 0 483.657 4.544 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCOC(F)(F)F)C1 ZINC001360641300 1065713139 /nfs/dbraw/zinc/71/31/39/1065713139.db2.gz GHVHTSZFSHMRQI-CVEARBPZSA-N 0 0 477.572 4.533 20 0 JJADRN O=C(Nc1nn(-c2ncccc2Cl)cc1Br)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001438346605 1065713280 /nfs/dbraw/zinc/71/32/80/1065713280.db2.gz WXOSPHRIWKFFPY-QWRGUYRKSA-N 0 0 453.674 4.704 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC001438345955 1065713293 /nfs/dbraw/zinc/71/32/93/1065713293.db2.gz QJTISZKFTNYNLJ-SFHVURJKSA-N 0 0 455.723 4.907 20 0 JJADRN Cc1sc(=O)n(CC(=O)N(c2ccc(C)c(F)c2)C2CCOCC2)c1-c1ccc(F)cc1 ZINC001438344361 1065713435 /nfs/dbraw/zinc/71/34/35/1065713435.db2.gz RWCIYZQCPDRNCK-UHFFFAOYSA-N 0 0 458.530 4.684 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2CCOC(C)(C)C)CC1 ZINC001360641383 1065713768 /nfs/dbraw/zinc/71/37/68/1065713768.db2.gz HOYLRRQUVVIMGB-SFHVURJKSA-N 0 0 491.702 4.875 20 0 JJADRN CC(C)Oc1cc(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)ccc1Br ZINC001438348173 1065713953 /nfs/dbraw/zinc/71/39/53/1065713953.db2.gz ZJBGUVXEUGEGSR-UHFFFAOYSA-N 0 0 455.299 4.603 20 0 JJADRN COC(=O)c1cn(CC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)c2ccccc12 ZINC001438353109 1065714591 /nfs/dbraw/zinc/71/45/91/1065714591.db2.gz PTNDNSIFBBQULG-RDJZCZTQSA-N 0 0 455.352 4.595 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC001438353695 1065714661 /nfs/dbraw/zinc/71/46/61/1065714661.db2.gz SOQRFIQIECBONN-UTKZUKDTSA-N 0 0 455.396 4.980 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H]3c3ccc(Br)cc3C)cnc12 ZINC001438351448 1065714809 /nfs/dbraw/zinc/71/48/09/1065714809.db2.gz IAVKMPGLNOGPDM-HXUWFJFHSA-N 0 0 454.368 4.530 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2nccs2)C1 ZINC001360641714 1065714630 /nfs/dbraw/zinc/71/46/30/1065714630.db2.gz LXJUQXBCYUPFGO-MSOLQXFVSA-N 0 0 476.691 4.696 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360641810 1065715054 /nfs/dbraw/zinc/71/50/54/1065715054.db2.gz NMBBUUTUYQIGCG-SFHLNBCPSA-N 0 0 486.636 4.532 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)n1 ZINC001438353801 1065715093 /nfs/dbraw/zinc/71/50/93/1065715093.db2.gz UFUWQKDBZNBCJR-SJLPKXTDSA-N 0 0 454.368 4.970 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCS2)C1 ZINC001360642083 1065715711 /nfs/dbraw/zinc/71/57/11/1065715711.db2.gz QEWAEOHICJUCIQ-HFSMHLIXSA-N 0 0 489.661 4.643 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(C)CC2)CC1 ZINC001360642245 1065716215 /nfs/dbraw/zinc/71/62/15/1065716215.db2.gz RRSQWTSOLDCTKI-UYAOXDASSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360642259 1065716419 /nfs/dbraw/zinc/71/64/19/1065716419.db2.gz RTWIWVXTDGYKHI-MVYHEMRASA-N 0 0 477.694 4.547 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)N2CCc3cc(C)cc(Br)c3C2)[C@H]1c1cccc(C)c1 ZINC001438363491 1065716868 /nfs/dbraw/zinc/71/68/68/1065716868.db2.gz KGZSUEBXECBYGQ-WMZHIEFXSA-N 0 0 455.396 4.560 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)N2CCc3cc(C)cc(Br)c3C2)[C@@H]1c1cccc(C)c1 ZINC001438363503 1065717089 /nfs/dbraw/zinc/71/70/89/1065717089.db2.gz KGZSUEBXECBYGQ-XXBNENTESA-N 0 0 455.396 4.560 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1nc2c(s1)c(Cl)ccc2F ZINC001438372174 1065717410 /nfs/dbraw/zinc/71/74/10/1065717410.db2.gz ZRDHOWHKVUSJCJ-QMMMGPOBSA-N 0 0 454.708 4.916 20 0 JJADRN COc1cc(NC(=O)C2(c3ccc(C(C)C)cc3)CCC2)ccc1S(=O)(=O)N1CCCC1 ZINC001360643724 1065717880 /nfs/dbraw/zinc/71/78/80/1065717880.db2.gz XRGWXKJRDMHIDJ-UHFFFAOYSA-N 0 0 456.608 4.664 20 0 JJADRN O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001438379076 1065717969 /nfs/dbraw/zinc/71/79/69/1065717969.db2.gz YZLQDUVCKBVXQA-UHFFFAOYSA-N 0 0 450.413 4.580 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)c1 ZINC001438375805 1065718080 /nfs/dbraw/zinc/71/80/80/1065718080.db2.gz WVFRMCXVWYTESR-UHFFFAOYSA-N 0 0 451.704 4.695 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)c1cccc(Cl)c1Cl ZINC001438374469 1065718143 /nfs/dbraw/zinc/71/81/43/1065718143.db2.gz QLCLVWYNBFKKPQ-PIKADFDJSA-N 0 0 471.425 4.909 20 0 JJADRN COc1coc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1=O ZINC001360643882 1065718204 /nfs/dbraw/zinc/71/82/04/1065718204.db2.gz FGWGXCVTSHXFPJ-UHFFFAOYSA-N 0 0 452.850 4.788 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCCC(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001438390105 1065718482 /nfs/dbraw/zinc/71/84/82/1065718482.db2.gz IYLPQDNBVXXNPN-CVDCTZTESA-N 0 0 456.608 4.779 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)c1cccn2ncc(Br)c12 ZINC001438386544 1065718591 /nfs/dbraw/zinc/71/85/91/1065718591.db2.gz ZRQVDYPWRUBVFO-UHFFFAOYSA-N 0 0 450.336 4.948 20 0 JJADRN CCC(F)(F)C(C)(C)CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C ZINC001438388901 1065718659 /nfs/dbraw/zinc/71/86/59/1065718659.db2.gz LUSRJEAPVLCFSP-INIZCTEOSA-N 0 0 456.530 4.558 20 0 JJADRN O=C(Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1)c1cccc(C(=O)N2CCCC2)n1 ZINC001438397068 1065719033 /nfs/dbraw/zinc/71/90/33/1065719033.db2.gz AVTXIMUMAMTTSZ-KBPBESRZSA-N 0 0 452.502 4.863 20 0 JJADRN CC(C)(C)OC(=O)CCCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001438391667 1065719098 /nfs/dbraw/zinc/71/90/98/1065719098.db2.gz PQZPQGPQVHGBOW-UXHICEINSA-N 0 0 481.033 4.919 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001438398632 1065719479 /nfs/dbraw/zinc/71/94/79/1065719479.db2.gz GBNYWKVQKCBDRC-IPYPFGDCSA-N 0 0 458.527 4.879 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001438397474 1065719585 /nfs/dbraw/zinc/71/95/85/1065719585.db2.gz YXWCGOGKDUILFF-WQPRPRDESA-N 0 0 464.606 4.747 20 0 JJADRN 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C[C@@](O)(C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC001360722779 1065749904 /nfs/dbraw/zinc/74/99/04/1065749904.db2.gz WMWLHLRSTFSYHR-SIKLNZKXSA-N 0 0 486.966 4.621 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc2ccccc21 ZINC001438764082 1065750373 /nfs/dbraw/zinc/75/03/73/1065750373.db2.gz NBALKWCTUSCBTM-UHFFFAOYSA-N 0 0 455.301 4.825 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CC=CCC2)CC1)C(F)(F)F ZINC001360723921 1065751033 /nfs/dbraw/zinc/75/10/33/1065751033.db2.gz GEHVZRPBUNQJNJ-GBXCKJPGSA-N 0 0 462.560 4.949 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC=CCC2)CC1)C(F)(F)F ZINC001360723924 1065751077 /nfs/dbraw/zinc/75/10/77/1065751077.db2.gz GEHVZRPBUNQJNJ-YKSBVNFPSA-N 0 0 462.560 4.949 20 0 JJADRN COc1ccc([C@H]2COCCN2C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 ZINC001438778244 1065751370 /nfs/dbraw/zinc/75/13/70/1065751370.db2.gz CJBSFAQLEXJYAC-HXUWFJFHSA-N 0 0 458.967 4.906 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC001438780534 1065751452 /nfs/dbraw/zinc/75/14/52/1065751452.db2.gz PUSNOERMDNIFJV-APWZRJJASA-N 0 0 455.380 4.858 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001545918186 1065751492 /nfs/dbraw/zinc/75/14/92/1065751492.db2.gz JAVKONUQBUBRGI-IBGZPJMESA-N 0 0 498.672 4.603 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)nn1-c1ccccc1F ZINC001438787169 1065751917 /nfs/dbraw/zinc/75/19/17/1065751917.db2.gz GANIDHITEHLDOK-UHFFFAOYSA-N 0 0 458.493 4.851 20 0 JJADRN C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cc2cnccc2o1 ZINC001438784859 1065752030 /nfs/dbraw/zinc/75/20/30/1065752030.db2.gz LMCWGGLPHWXSJA-LBPRGKRZSA-N 0 0 454.280 4.927 20 0 JJADRN O=C(COCCNC(=O)c1ccccc1)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 ZINC001360725937 1065752422 /nfs/dbraw/zinc/75/24/22/1065752422.db2.gz FJXVYWPKVXFWAX-UHFFFAOYSA-N 0 0 458.493 4.503 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1OCC(F)(F)F ZINC001360725222 1065752477 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BDGRCFYKWZNOTL-JOCHJYFZSA-N 0 0 450.535 4.862 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001360726740 1065753660 /nfs/dbraw/zinc/75/36/60/1065753660.db2.gz XCFXQPLAPTXLOU-UHFFFAOYSA-N 0 0 451.158 4.947 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1Cc1csc(C)c1 ZINC001545918375 1065753789 /nfs/dbraw/zinc/75/37/89/1065753789.db2.gz PWVFFBPQTISDCL-UHFFFAOYSA-N 0 0 480.682 4.558 20 0 JJADRN C[C@@](O)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC001360727112 1065754028 /nfs/dbraw/zinc/75/40/28/1065754028.db2.gz MTLLRWWKFKFCFU-OAQYLSRUSA-N 0 0 486.966 4.823 20 0 JJADRN C[C@](O)(Cn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C)c1ccco1 ZINC001360727167 1065754132 /nfs/dbraw/zinc/75/41/32/1065754132.db2.gz NRXHEQPJXRFDQK-IBGZPJMESA-N 0 0 451.390 4.649 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001438816057 1065753989 /nfs/dbraw/zinc/75/39/89/1065753989.db2.gz GSARMSSVSQQNIM-PMVMPFDFSA-N 0 0 451.542 4.746 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(Br)ccc1C(C)(C)C ZINC001438815815 1065754215 /nfs/dbraw/zinc/75/42/15/1065754215.db2.gz SDJTYTVCBGATSY-UHFFFAOYSA-N 0 0 453.402 4.558 20 0 JJADRN COc1cccc([C@@H](C)CCCC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC001438820182 1065754807 /nfs/dbraw/zinc/75/48/07/1065754807.db2.gz FYQZRLVTMAPAPL-BTYIYWSLSA-N 0 0 459.384 4.801 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001438823065 1065755238 /nfs/dbraw/zinc/75/52/38/1065755238.db2.gz OUKZPOQFPWVZGW-CTNGQTDRSA-N 0 0 459.443 4.832 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1ncc(Br)cc1Br ZINC001438828053 1065755992 /nfs/dbraw/zinc/75/59/92/1065755992.db2.gz JGTFEQDKGUDALN-LLVKDONJSA-N 0 0 454.496 4.996 20 0 JJADRN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001438832434 1065756411 /nfs/dbraw/zinc/75/64/11/1065756411.db2.gz VRWHUZTZWWPFIR-UHFFFAOYSA-N 0 0 451.320 4.941 20 0 JJADRN C[C@](O)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1)c1cccs1 ZINC001360728787 1065756667 /nfs/dbraw/zinc/75/66/67/1065756667.db2.gz REYXPBZPHXKJPP-JXFKEZNVSA-N 0 0 458.550 4.658 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001438838739 1065757167 /nfs/dbraw/zinc/75/71/67/1065757167.db2.gz FZAWTJVZFBVVPH-SIKLNZKXSA-N 0 0 457.412 4.656 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1(C)C ZINC001360729972 1065757248 /nfs/dbraw/zinc/75/72/48/1065757248.db2.gz RETYCNRKGVQSNM-LFCBLZOASA-N 0 0 456.671 4.838 20 0 JJADRN C[C@@](O)(Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001360729307 1065757303 /nfs/dbraw/zinc/75/73/03/1065757303.db2.gz WDMYNKACZDIXHX-JOCHJYFZSA-N 0 0 479.934 4.604 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)OCc1ccc(Br)cc1Cl ZINC001360730199 1065757696 /nfs/dbraw/zinc/75/76/96/1065757696.db2.gz YLYRNCCJVFVJLW-UHFFFAOYSA-N 0 0 450.716 4.612 20 0 JJADRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001360730542 1065757791 /nfs/dbraw/zinc/75/77/91/1065757791.db2.gz MRFXJLPOFASWCH-CYBMUJFWSA-N 0 0 451.214 4.720 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)O[C@H](c3ccc(Cl)cc3)C(F)(F)F)CC2=O)c1 ZINC001438851204 1065757744 /nfs/dbraw/zinc/75/77/44/1065757744.db2.gz VGMRTYDLEUHBAL-ORAYPTAESA-N 0 0 457.832 4.557 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccc(OC)cc3)nc2c1 ZINC001438852641 1065758295 /nfs/dbraw/zinc/75/82/95/1065758295.db2.gz GFVICLAYKAEWSF-MRXNPFEDSA-N 0 0 452.555 4.746 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4Cl)C3(C)C)CC2=O)c1 ZINC001438851448 1065758356 /nfs/dbraw/zinc/75/83/56/1065758356.db2.gz SEKHVPYECYMOCI-IIBYNOLFSA-N 0 0 456.970 4.505 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC001360731600 1065759416 /nfs/dbraw/zinc/75/94/16/1065759416.db2.gz FNCZJTGJLPZLEG-VQIMIIECSA-N 0 0 454.537 4.516 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccco2)cc1 ZINC001360731884 1065759924 /nfs/dbraw/zinc/75/99/24/1065759924.db2.gz HMGNWVZMTYMWCF-LJQANCHMSA-N 0 0 495.624 4.724 20 0 JJADRN C[C@](O)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1)C1CCCCC1 ZINC001360732366 1065760524 /nfs/dbraw/zinc/76/05/24/1065760524.db2.gz SFGIKVLZKMPWAZ-OSPHWJPCSA-N 0 0 466.548 4.809 20 0 JJADRN C[C@@](O)(Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001360732483 1065760859 /nfs/dbraw/zinc/76/08/59/1065760859.db2.gz TXESPJVFROFEAB-HYBUGGRVSA-N 0 0 492.542 4.502 20 0 JJADRN C[C@](O)(Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001360732485 1065760877 /nfs/dbraw/zinc/76/08/77/1065760877.db2.gz TXESPJVFROFEAB-YKSBVNFPSA-N 0 0 492.542 4.502 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)C3(c4c(Cl)cccc4Cl)CC3)C2)nc1C ZINC001438880268 1065761117 /nfs/dbraw/zinc/76/11/17/1065761117.db2.gz FVNLLHVRARQGGC-ZDUSSCGKSA-N 0 0 453.391 4.983 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cnc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001438881424 1065761428 /nfs/dbraw/zinc/76/14/28/1065761428.db2.gz WZAFZDMYQCIUSN-RSXGOPAZSA-N 0 0 459.546 4.839 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCCC2)cc1 ZINC001360732938 1065761519 /nfs/dbraw/zinc/76/15/19/1065761519.db2.gz PRJHKNFYSULDDZ-MRXNPFEDSA-N 0 0 458.404 4.908 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CCC(=O)OC)c2)cnn1-c1ccc(Br)cc1 ZINC001438882222 1065761543 /nfs/dbraw/zinc/76/15/43/1065761543.db2.gz DVTDZXSHOJVNAA-UHFFFAOYSA-N 0 0 456.340 4.555 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)NC[C@]2(C)OCCc3ccccc32)nnc1-c1ccccc1 ZINC001438885953 1065762294 /nfs/dbraw/zinc/76/22/94/1065762294.db2.gz URFMFWAILIIRMV-CJAUYULYSA-N 0 0 450.608 4.613 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)c1nc(Br)sc1C1CC1)CCCC2 ZINC001438885752 1065762791 /nfs/dbraw/zinc/76/27/91/1065762791.db2.gz BGXHHCWWWYSDSA-CQSZACIVSA-N 0 0 451.386 4.998 20 0 JJADRN COC(=O)CCc1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)OC)c1 ZINC001438886652 1065762816 /nfs/dbraw/zinc/76/28/16/1065762816.db2.gz RQJITWUAWISJBK-UHFFFAOYSA-N 0 0 453.516 4.716 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)c1nc(Br)sc1C1CC1)CCCC2 ZINC001438885748 1065762827 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WDXVBWYUFITKSM-JYJNAYRXSA-N 0 0 458.607 4.989 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001360744516 1065782330 /nfs/dbraw/zinc/78/23/30/1065782330.db2.gz WDXVBWYUFITKSM-OAGGEKHMSA-N 0 0 458.607 4.989 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1Br ZINC001439071727 1065782568 /nfs/dbraw/zinc/78/25/68/1065782568.db2.gz XDGFFHMJZPDQSU-UHFFFAOYSA-N 0 0 455.805 4.641 20 0 JJADRN COCC(C)(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC001439079576 1065783151 /nfs/dbraw/zinc/78/31/51/1065783151.db2.gz JULGFZVPQSDDFI-NOZRDPDXSA-N 0 0 452.595 4.667 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCC(C)(F)F ZINC001360744861 1065783280 /nfs/dbraw/zinc/78/32/80/1065783280.db2.gz CAKXESZYUXIBOK-KRWDZBQOSA-N 0 0 492.521 4.853 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2 ZINC001439078561 1065783190 /nfs/dbraw/zinc/78/31/90/1065783190.db2.gz ZOAYERBSZPKZDQ-UHFFFAOYSA-N 0 0 451.498 4.636 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001439089640 1065783546 /nfs/dbraw/zinc/78/35/46/1065783546.db2.gz HYDKJEICYZCQHT-ZBFHGGJFSA-N 0 0 457.621 4.617 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC001439089638 1065783589 /nfs/dbraw/zinc/78/35/89/1065783589.db2.gz HYDKJEICYZCQHT-GOEBONIOSA-N 0 0 457.621 4.617 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360745098 1065783826 /nfs/dbraw/zinc/78/38/26/1065783826.db2.gz GXENLYDVOYNKGH-CTZDUNKTSA-N 0 0 474.621 4.892 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001439093153 1065784295 /nfs/dbraw/zinc/78/42/95/1065784295.db2.gz JKJYDLIOFNOALC-RDPSFJRHSA-N 0 0 459.974 4.801 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CCC1CCOCC1 ZINC001360745329 1065784359 /nfs/dbraw/zinc/78/43/59/1065784359.db2.gz JBHJBLYIMFRKBR-INIZCTEOSA-N 0 0 479.394 4.863 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCOCC(F)F ZINC001360745529 1065784701 /nfs/dbraw/zinc/78/47/01/1065784701.db2.gz MGHAGDSDBMLYSC-BZSNNMDCSA-N 0 0 452.521 4.855 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001360745566 1065784940 /nfs/dbraw/zinc/78/49/40/1065784940.db2.gz MUNXVNFYABVNEO-CVDCTZTESA-N 0 0 496.631 4.850 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001360745568 1065785429 /nfs/dbraw/zinc/78/54/29/1065785429.db2.gz MUNXVNFYABVNEO-XXBNENTESA-N 0 0 496.631 4.850 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC3(CC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360745703 1065785867 /nfs/dbraw/zinc/78/58/67/1065785867.db2.gz OTAGXUDSBDMKTG-SFHVURJKSA-N 0 0 473.593 4.805 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)c2)cn1 ZINC001439102050 1065786415 /nfs/dbraw/zinc/78/64/15/1065786415.db2.gz WCGIPQZMTCRRDY-NVQXNPDNSA-N 0 0 451.567 4.631 20 0 JJADRN C[C@@H]1CCN(c2cc(C(=O)N[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001439104608 1065786814 /nfs/dbraw/zinc/78/68/14/1065786814.db2.gz OFJSACBBVPXITG-CTNGQTDRSA-N 0 0 456.631 4.618 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001439103889 1065786826 /nfs/dbraw/zinc/78/68/26/1065786826.db2.gz MZXQCFKLAKGSDV-UHFFFAOYSA-N 0 0 450.580 4.586 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360745982 1065787672 /nfs/dbraw/zinc/78/76/72/1065787672.db2.gz RGXOPVQEEVIHSZ-WFXMLNOXSA-N 0 0 473.593 4.851 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCC2)n1CCC(=O)NC1CCCCC1 ZINC001360746127 1065787703 /nfs/dbraw/zinc/78/77/03/1065787703.db2.gz SXWWBJLBRUFKFQ-IBGZPJMESA-N 0 0 457.594 4.777 20 0 JJADRN O=C(NCCN(Cc1ccccc1)c1ccccn1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001439111620 1065788054 /nfs/dbraw/zinc/78/80/54/1065788054.db2.gz QUPMRJVAPUQEAV-UHFFFAOYSA-N 0 0 450.901 4.966 20 0 JJADRN CCCCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H](C)c1ccccc1 ZINC001360746310 1065788171 /nfs/dbraw/zinc/78/81/71/1065788171.db2.gz AXWYCDMXAPEPNG-PZJWPPBQSA-N 0 0 455.603 4.854 20 0 JJADRN COc1ccccc1C(=O)C(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001439111186 1065788202 /nfs/dbraw/zinc/78/82/02/1065788202.db2.gz HYMNJGNGTJNOTJ-WIYYLYMNSA-N 0 0 458.599 4.590 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)Cc2c[nH]c3cnccc23)C1)C1CCCC1 ZINC001439112388 1065788449 /nfs/dbraw/zinc/78/84/49/1065788449.db2.gz PXVKIAVMANOMPG-PGRDOPGGSA-N 0 0 454.615 4.818 20 0 JJADRN Cc1ccc(N(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439115804 1065788936 /nfs/dbraw/zinc/78/89/36/1065788936.db2.gz IKCRENDQQPLARM-MBSDFSHPSA-N 0 0 453.970 4.576 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1cccs1 ZINC001360748503 1065789487 /nfs/dbraw/zinc/78/94/87/1065789487.db2.gz AOGJDRPFLJWDOJ-CVEARBPZSA-N 0 0 483.535 4.740 20 0 JJADRN C[C@H](Oc1ccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001439128308 1065790673 /nfs/dbraw/zinc/79/06/73/1065790673.db2.gz LPZBOKPAYOYHDT-SIBVEZHUSA-N 0 0 454.567 4.582 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CC1CCC(F)(F)CC1 ZINC001360749185 1065791379 /nfs/dbraw/zinc/79/13/79/1065791379.db2.gz LUJOKTJKQWMTTA-MRXNPFEDSA-N 0 0 452.521 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Cl)c3ccccc3n2)(C(F)(F)F)CC1 ZINC001439134289 1065791623 /nfs/dbraw/zinc/79/16/23/1065791623.db2.gz XTBKLKKQSLEJTJ-UHFFFAOYSA-N 0 0 457.880 4.950 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)[nH]c(=O)c2c1C ZINC001439133951 1065791660 /nfs/dbraw/zinc/79/16/60/1065791660.db2.gz UVHIOPCMFSBVDL-JCKWVBRZSA-N 0 0 463.575 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001439146085 1065792445 /nfs/dbraw/zinc/79/24/45/1065792445.db2.gz YYBYFGAGZNAPLV-MBVDDHJVSA-N 0 0 452.395 4.863 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC[C@H]2C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360749494 1065792634 /nfs/dbraw/zinc/79/26/34/1065792634.db2.gz DZCKHFBCULUTQV-MVLYANGWSA-N 0 0 460.594 4.766 20 0 JJADRN Cn1nc(C(F)(F)F)cc1CNC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001439153761 1065793149 /nfs/dbraw/zinc/79/31/49/1065793149.db2.gz VUFMPTIAZUKPQF-UHFFFAOYSA-N 0 0 454.246 4.924 20 0 JJADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC12CCC(CC1)C2 ZINC001360749770 1065793192 /nfs/dbraw/zinc/79/31/92/1065793192.db2.gz IIBIIUSGKHEFRO-KRGIGEMJSA-N 0 0 495.089 4.910 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NCc2ccc(OC)c(Cl)c2)cc1OCC ZINC001439156557 1065793481 /nfs/dbraw/zinc/79/34/81/1065793481.db2.gz XKOXRQSEMVCAMD-UHFFFAOYSA-N 0 0 456.764 4.767 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360749904 1065793689 /nfs/dbraw/zinc/79/36/89/1065793689.db2.gz IZAWSBYAFLHFOG-RAUXBKROSA-N 0 0 491.583 4.799 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2c(C)cnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001439157537 1065793585 /nfs/dbraw/zinc/79/35/85/1065793585.db2.gz RICSWZGOKOXMBN-ICSRJNTNSA-N 0 0 456.587 4.572 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)co2)cc1 ZINC001439167069 1065793910 /nfs/dbraw/zinc/79/39/10/1065793910.db2.gz FAQLUIHDUJUGQM-DYESRHJHSA-N 0 0 458.345 4.793 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001439168494 1065794021 /nfs/dbraw/zinc/79/40/21/1065794021.db2.gz KZDMZVOUQYZDGO-QHCPKHFHSA-N 0 0 450.535 4.635 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001439166357 1065794064 /nfs/dbraw/zinc/79/40/64/1065794064.db2.gz DNGGGEZKOHHSKQ-UHFFFAOYSA-N 0 0 452.595 4.934 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Br)c1C)O[C@H](C)C2 ZINC001439177072 1065794577 /nfs/dbraw/zinc/79/45/77/1065794577.db2.gz MKWANGSQTCOORX-WNYOCNMUSA-N 0 0 458.396 4.942 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)c2cccs2)n1CC1(O)CCOCC1 ZINC001360750335 1065794739 /nfs/dbraw/zinc/79/47/39/1065794739.db2.gz LXNMVXXALPBDJL-IAGOWNOFSA-N 0 0 477.030 4.872 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001439177273 1065794963 /nfs/dbraw/zinc/79/49/63/1065794963.db2.gz WQQZEUBKLHZWJR-KRWDZBQOSA-N 0 0 453.421 4.844 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360750438 1065795186 /nfs/dbraw/zinc/79/51/86/1065795186.db2.gz MTLOWLKMVKBQAZ-VAYHBPSJSA-N 0 0 486.604 4.832 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCOCC(F)(F)C(F)F ZINC001360750367 1065795232 /nfs/dbraw/zinc/79/52/32/1065795232.db2.gz MABCOUSIQYORID-QLFBSQMISA-N 0 0 494.530 4.804 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360750434 1065795349 /nfs/dbraw/zinc/79/53/49/1065795349.db2.gz MTLOWLKMVKBQAZ-FYNMGURZSA-N 0 0 486.604 4.832 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CC(F)(F)F ZINC001360750750 1065795634 /nfs/dbraw/zinc/79/56/34/1065795634.db2.gz ZXCCWUAVGOQFOD-QGZVFWFLSA-N 0 0 497.537 4.739 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360750601 1065795686 /nfs/dbraw/zinc/79/56/86/1065795686.db2.gz OATCGBXZFCOHLL-GFCCVEGCSA-N 0 0 481.479 4.752 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(Nc2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360750602 1065795703 /nfs/dbraw/zinc/79/57/03/1065795703.db2.gz OATCGBXZFCOHLL-LBPRGKRZSA-N 0 0 481.479 4.752 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)cc12 ZINC001439193918 1065796989 /nfs/dbraw/zinc/79/69/89/1065796989.db2.gz MRPAQXUBKDIHAN-YOEHRIQHSA-N 0 0 457.905 4.948 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[C@H]1CCCCO1 ZINC001360751324 1065797178 /nfs/dbraw/zinc/79/71/78/1065797178.db2.gz YXBLYWSSQXUPME-QKNQBKEWSA-N 0 0 460.594 4.910 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360751146 1065797234 /nfs/dbraw/zinc/79/72/34/1065797234.db2.gz VMJYNJOWVMTRSF-LBPRGKRZSA-N 0 0 473.521 4.634 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCn1cncn1 ZINC001360751164 1065797311 /nfs/dbraw/zinc/79/73/11/1065797311.db2.gz VXJSVXCFHXSOTE-HOTGVXAUSA-N 0 0 457.991 4.622 20 0 JJADRN CCCN(C(=O)Cc1ccc(I)cc1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001360751541 1065797798 /nfs/dbraw/zinc/79/77/98/1065797798.db2.gz CPJCJGAYWVGUJE-RTBURBONSA-N 0 0 455.380 4.810 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1C ZINC001360751607 1065797822 /nfs/dbraw/zinc/79/78/22/1065797822.db2.gz FCASXHFXUYFGSP-UHFFFAOYSA-N 0 0 457.353 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2ccc(C(C)(C)C)cc2)CC2(CCOCC2)C1 ZINC001439202758 1065797966 /nfs/dbraw/zinc/79/79/66/1065797966.db2.gz VEBGHVACIKXSRU-QFIPXVFZSA-N 0 0 458.643 4.839 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)c1 ZINC001360752087 1065798441 /nfs/dbraw/zinc/79/84/41/1065798441.db2.gz HUFGQKUZSAQTBA-NRFANRHFSA-N 0 0 456.514 4.545 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001439204382 1065798405 /nfs/dbraw/zinc/79/84/05/1065798405.db2.gz VEVKSESWMAKVSH-SUMWQHHRSA-N 0 0 450.288 4.565 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccco2)n1Cc1ncnn1C(C)(C)C ZINC001360753357 1065799370 /nfs/dbraw/zinc/79/93/70/1065799370.db2.gz BRCSXZXRAYIUIT-INIZCTEOSA-N 0 0 469.977 4.696 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001439214273 1065799522 /nfs/dbraw/zinc/79/95/22/1065799522.db2.gz QVSLWVSUEKHYRP-UYAOXDASSA-N 0 0 466.582 4.954 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2Br)cn1 ZINC001439215449 1065799583 /nfs/dbraw/zinc/79/95/83/1065799583.db2.gz NASKXTYUDFDVEN-UHFFFAOYSA-N 0 0 458.278 4.778 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CC=CCO1 ZINC001360753573 1065799811 /nfs/dbraw/zinc/79/98/11/1065799811.db2.gz FOOLFNWRYMXCLH-HNAYVOBHSA-N 0 0 452.933 4.898 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@@H]1CCOC1 ZINC001360753638 1065799934 /nfs/dbraw/zinc/79/99/34/1065799934.db2.gz GIZKCQHVOYRGGU-JKSUJKDBSA-N 0 0 479.412 4.521 20 0 JJADRN O=C(OCc1cc(Br)ccc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001439224037 1065800595 /nfs/dbraw/zinc/80/05/95/1065800595.db2.gz FSGCNNJSGBTJJI-CYBMUJFWSA-N 0 0 457.151 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)OCc2cc(Br)ccc2Cl)C1 ZINC001439221894 1065800860 /nfs/dbraw/zinc/80/08/60/1065800860.db2.gz FHMYOXZXZQVULQ-IAQYHMDHSA-N 0 0 450.732 4.741 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCn2ccnc2C1 ZINC001360754062 1065802054 /nfs/dbraw/zinc/80/20/54/1065802054.db2.gz NSFORNIGYIKSSZ-HOTGVXAUSA-N 0 0 464.948 4.622 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1CCC(=O)N1CCCCC1 ZINC001360754101 1065802684 /nfs/dbraw/zinc/80/26/84/1065802684.db2.gz OMMGGSFQFJQJIL-KRWDZBQOSA-N 0 0 489.045 4.567 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCSC2)n1CCCOC(F)(F)F ZINC001360754129 1065802695 /nfs/dbraw/zinc/80/26/95/1065802695.db2.gz ORTRSPGNJASCJY-DZGCQCFKSA-N 0 0 464.941 4.940 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCSC2)n1CCCOC(F)(F)F ZINC001360754130 1065802931 /nfs/dbraw/zinc/80/29/31/1065802931.db2.gz ORTRSPGNJASCJY-HIFRSBDPSA-N 0 0 464.941 4.940 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1OCCC1(C)C ZINC001360754168 1065803574 /nfs/dbraw/zinc/80/35/74/1065803574.db2.gz PGBXVECHTHXWTP-KXBFYZLASA-N 0 0 462.019 4.980 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1C[C@@](C)(O)c1ccco1 ZINC001360754225 1065803646 /nfs/dbraw/zinc/80/36/46/1065803646.db2.gz PWHGSRJAMZWQQA-OYHNWAKOSA-N 0 0 473.986 4.665 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCSC2)n1CC[S@](=O)C(C)(C)C ZINC001360754296 1065803695 /nfs/dbraw/zinc/80/36/95/1065803695.db2.gz RDJLTFHDXNJMKK-RCYNOIJSSA-N 0 0 471.092 4.560 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCSC2)n1CC[S@](=O)C(C)(C)C ZINC001360754295 1065803732 /nfs/dbraw/zinc/80/37/32/1065803732.db2.gz RDJLTFHDXNJMKK-MIBPYSDMSA-N 0 0 471.092 4.560 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1C[C@](C)(O)c1ccco1 ZINC001360754226 1065803795 /nfs/dbraw/zinc/80/37/95/1065803795.db2.gz PWHGSRJAMZWQQA-QRQCRPRQSA-N 0 0 473.986 4.665 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCOC2)n1CCC1CCOCC1 ZINC001360754347 1065804539 /nfs/dbraw/zinc/80/45/39/1065804539.db2.gz SILWXSBYALPQSU-AZUAARDMSA-N 0 0 463.022 4.751 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(F)(F)F)n1CC(=O)NC1CCCCC1 ZINC001360754430 1065805206 /nfs/dbraw/zinc/80/52/06/1065805206.db2.gz UKWIXCCUBYVELJ-CQSZACIVSA-N 0 0 473.927 4.519 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccsc2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360754561 1065805803 /nfs/dbraw/zinc/80/58/03/1065805803.db2.gz XFICEMDRGJQYEE-HNAYVOBHSA-N 0 0 474.030 4.684 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1[C@@H]1C[C@H]1CF ZINC001360754511 1065805922 /nfs/dbraw/zinc/80/59/22/1065805922.db2.gz WDOCLZVRLWDFEK-GDZNZVCISA-N 0 0 486.901 4.991 20 0 JJADRN Cc1nc(-c2ccc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)s2)cs1 ZINC001439266014 1065805848 /nfs/dbraw/zinc/80/58/48/1065805848.db2.gz MWELUEFZRUFIPN-ZDUSSCGKSA-N 0 0 457.568 4.802 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001439269799 1065807894 /nfs/dbraw/zinc/80/78/94/1065807894.db2.gz MCPHXQGUSLWYSA-WJFTUGDTSA-N 0 0 472.429 4.868 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Br)c1 ZINC001439270968 1065808099 /nfs/dbraw/zinc/80/80/99/1065808099.db2.gz FESWOEMPPUPCCO-RHSMWYFYSA-N 0 0 461.709 4.895 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@](C)(O)C1CC1 ZINC001360755182 1065808141 /nfs/dbraw/zinc/80/81/41/1065808141.db2.gz AIONVHGOHPCOSR-SZNDQCEHSA-N 0 0 470.923 4.931 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(Cl)nc1 ZINC001360755210 1065808266 /nfs/dbraw/zinc/80/82/66/1065808266.db2.gz AUFOBDUPXSIDSJ-INIZCTEOSA-N 0 0 472.380 4.501 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001360755610 1065809376 /nfs/dbraw/zinc/80/93/76/1065809376.db2.gz GPGGRUBMLBKNKD-QZTJIDSGSA-N 0 0 495.089 4.911 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001439274334 1065809834 /nfs/dbraw/zinc/80/98/34/1065809834.db2.gz RWZGFCORUFLITN-BFYDXBDKSA-N 0 0 471.411 4.776 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360755776 1065810464 /nfs/dbraw/zinc/81/04/64/1065810464.db2.gz JDHVKVYJVZFYCU-YZVAWVHESA-N 0 0 492.039 4.979 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)cc1)c1cccs1 ZINC001439276270 1065810284 /nfs/dbraw/zinc/81/02/84/1065810284.db2.gz UTAKSBPXXRJTOH-UHFFFAOYSA-N 0 0 450.470 4.666 20 0 JJADRN C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001360755914 1065811619 /nfs/dbraw/zinc/81/16/19/1065811619.db2.gz LIUMGRISVHEPTO-SJORKVTESA-N 0 0 461.994 4.751 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCC(=O)N1CCCCC1 ZINC001360755848 1065811658 /nfs/dbraw/zinc/81/16/58/1065811658.db2.gz KDBSXJYLDVHVCD-OTWHNJEPSA-N 0 0 460.022 4.709 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1CCNC(=O)OC(C)(C)C ZINC001360755972 1065812074 /nfs/dbraw/zinc/81/20/74/1065812074.db2.gz MFZLOQGXMHFKHJ-QGZVFWFLSA-N 0 0 496.052 4.848 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCCCS1 ZINC001360755991 1065812345 /nfs/dbraw/zinc/81/23/45/1065812345.db2.gz MROZXUZNMSUZLZ-FXAWDEMLSA-N 0 0 461.035 4.690 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1CCC(=O)N1CCCCCC1 ZINC001360756042 1065812548 /nfs/dbraw/zinc/81/25/48/1065812548.db2.gz NMQNGRWACBHPAK-QGZVFWFLSA-N 0 0 483.991 4.956 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)CC2 ZINC001439304891 1065812554 /nfs/dbraw/zinc/81/25/54/1065812554.db2.gz CVGVXASDRZQDLQ-UHFFFAOYSA-N 0 0 454.542 4.905 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1OC(F)(F)F ZINC001439292039 1065812565 /nfs/dbraw/zinc/81/25/65/1065812565.db2.gz KGBIKPVGQGCJJO-KRWDZBQOSA-N 0 0 450.240 4.855 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCc2cc(Br)ccc2Cl)c1-c1ccccc1 ZINC001439305981 1065812866 /nfs/dbraw/zinc/81/28/66/1065812866.db2.gz FOAUZAYCLYYCBZ-UHFFFAOYSA-N 0 0 451.773 4.618 20 0 JJADRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001439312041 1065813825 /nfs/dbraw/zinc/81/38/25/1065813825.db2.gz PYDZAVISIOKEMO-QGZVFWFLSA-N 0 0 457.527 4.550 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 ZINC001439323586 1065814399 /nfs/dbraw/zinc/81/43/99/1065814399.db2.gz SNXBBTLNQHHVJE-SJKOYZFVSA-N 0 0 451.748 4.850 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2F)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001439320960 1065814431 /nfs/dbraw/zinc/81/44/31/1065814431.db2.gz CBEFJHDIQRVXLP-FQEVSTJZSA-N 0 0 450.323 4.870 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCN1CCOC[C@H]1C ZINC001360756471 1065815187 /nfs/dbraw/zinc/81/51/87/1065815187.db2.gz VCTKULPGCNHHLC-AABGKKOBSA-N 0 0 476.065 4.665 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCOC[C@H]1C ZINC001360756500 1065815311 /nfs/dbraw/zinc/81/53/11/1065815311.db2.gz VOFXFOVFHWYUSN-UXHICEINSA-N 0 0 488.032 4.800 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC2CC2)n1Cc1ncnn1C(C)(C)C ZINC001360756452 1065815417 /nfs/dbraw/zinc/81/54/17/1065815417.db2.gz URLGHLNXNQFKLV-MRXNPFEDSA-N 0 0 458.010 4.703 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1C(F)(F)F ZINC001439337346 1065815833 /nfs/dbraw/zinc/81/58/33/1065815833.db2.gz CJQKYFAYYLSEGG-HIFRSBDPSA-N 0 0 454.411 4.932 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CC3(CCC3)CO2)cc1NC(=O)c1ccc(Br)cc1 ZINC001439329005 1065816021 /nfs/dbraw/zinc/81/60/21/1065816021.db2.gz DJIBWSZFHKLAQI-LJQANCHMSA-N 0 0 457.368 4.699 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001439336787 1065816044 /nfs/dbraw/zinc/81/60/44/1065816044.db2.gz BDOMCGSUSNKRKW-SNRMKQJTSA-N 0 0 458.521 4.568 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1F ZINC001439339936 1065816780 /nfs/dbraw/zinc/81/67/80/1065816780.db2.gz KVXUPXLLOQKDMU-ISTRZQFTSA-N 0 0 450.448 4.763 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCn1cncn1 ZINC001360756701 1065817244 /nfs/dbraw/zinc/81/72/44/1065817244.db2.gz YFAKUCSIZYSKCZ-ROUUACIJSA-N 0 0 458.010 4.768 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)C[C@H]1CCCc2ccccc21 ZINC001439343488 1065817332 /nfs/dbraw/zinc/81/73/32/1065817332.db2.gz HDSWEQRDTKCWTM-OAHLLOKOSA-N 0 0 456.340 4.722 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)CCCCc1ccc(C)cc1 ZINC001439343456 1065817352 /nfs/dbraw/zinc/81/73/52/1065817352.db2.gz GEKWJJHOTPBUFX-UHFFFAOYSA-N 0 0 458.356 4.933 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001439343486 1065817423 /nfs/dbraw/zinc/81/74/23/1065817423.db2.gz HDSWEQRDTKCWTM-HNNXBMFYSA-N 0 0 456.340 4.722 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001360756883 1065817855 /nfs/dbraw/zinc/81/78/55/1065817855.db2.gz CBFIUSMOHIGNCX-JTQLQIEISA-N 0 0 456.770 4.735 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC001439346509 1065817824 /nfs/dbraw/zinc/81/78/24/1065817824.db2.gz XNHOGBCLDNXXFC-GJZGRUSLSA-N 0 0 454.411 4.552 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)[C@@H](Oc3cc(Cl)ccc3Cl)c3ccccc3)O2)CO1 ZINC001439347312 1065817973 /nfs/dbraw/zinc/81/79/73/1065817973.db2.gz KFQOKPANIUKEMG-LJTXAQECSA-N 0 0 450.362 4.956 20 0 JJADRN CC(C)COc1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001439346834 1065818074 /nfs/dbraw/zinc/81/80/74/1065818074.db2.gz XZOHYZMMGKSNMN-RTBURBONSA-N 0 0 458.521 4.568 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCS1 ZINC001360757401 1065818488 /nfs/dbraw/zinc/81/84/88/1065818488.db2.gz ARAKWLPMKMWZAN-PBHICJAKSA-N 0 0 490.979 4.861 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360757472 1065818504 /nfs/dbraw/zinc/81/85/04/1065818504.db2.gz BXWOKHPBWVUWOR-KDSXSNECSA-N 0 0 477.049 4.874 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1 ZINC001360757444 1065818520 /nfs/dbraw/zinc/81/85/20/1065818520.db2.gz BJGWMBKRAAMROY-UWJYYQICSA-N 0 0 481.062 4.521 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@@H]3CC[C@]4(CO[C@@H](C)C4)O3)CCCCC2)ccc1Br ZINC001439352472 1065818750 /nfs/dbraw/zinc/81/87/50/1065818750.db2.gz TZVIJWPTWRGOPB-JLMWRMLUSA-N 0 0 450.417 4.802 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1cccc(Cl)c1Cl ZINC001439348951 1065818792 /nfs/dbraw/zinc/81/87/92/1065818792.db2.gz XXBNWIHJTIKLAI-UHFFFAOYSA-N 0 0 457.111 4.833 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCS1 ZINC001360757404 1065818572 /nfs/dbraw/zinc/81/85/72/1065818572.db2.gz ARAKWLPMKMWZAN-YOEHRIQHSA-N 0 0 490.979 4.861 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360757693 1065820106 /nfs/dbraw/zinc/82/01/06/1065820106.db2.gz GNJOACSOEGOMRN-ABSDTBQOSA-N 0 0 476.021 4.975 20 0 JJADRN C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1cccc(SC(F)(F)F)c1 ZINC001439370292 1065821467 /nfs/dbraw/zinc/82/14/67/1065821467.db2.gz KOINREHRMLWLGF-AWEZNQCLSA-N 0 0 457.539 4.828 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001439387758 1065822180 /nfs/dbraw/zinc/82/21/80/1065822180.db2.gz NYVPQKSFDXGMQW-CZUORRHYSA-N 0 0 467.488 4.902 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360758084 1065822307 /nfs/dbraw/zinc/82/23/07/1065822307.db2.gz MLIHMNUHKJMCGM-YLJYHZDGSA-N 0 0 489.064 4.938 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(=O)NCC(F)F ZINC001360758152 1065822889 /nfs/dbraw/zinc/82/28/89/1065822889.db2.gz NRMNQPTUWVANTA-KDOFPFPSSA-N 0 0 495.983 4.856 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001439388586 1065822811 /nfs/dbraw/zinc/82/28/11/1065822811.db2.gz SKLVPCWBFGSPGJ-IEBWSBKVSA-N 0 0 452.555 4.563 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)ccc1SC ZINC001439392646 1065823498 /nfs/dbraw/zinc/82/34/98/1065823498.db2.gz HJRLXBHKEIENHO-IBGZPJMESA-N 0 0 450.601 4.997 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360758249 1065823401 /nfs/dbraw/zinc/82/34/01/1065823401.db2.gz PLKWDAKBFUAZDD-BFUWLGFFSA-N 0 0 497.130 4.952 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CCC=CO1 ZINC001360758209 1065823455 /nfs/dbraw/zinc/82/34/55/1065823455.db2.gz OOCJLRJOWDDVGY-AVRDEDQJSA-N 0 0 461.006 4.753 20 0 JJADRN COC(=O)c1c(C)ccc2c1N(C(=O)Cc1ccc(OCCOc3ccccc3)cc1)CCC2 ZINC001439409302 1065824783 /nfs/dbraw/zinc/82/47/83/1065824783.db2.gz IAVAMTCDVWIQOW-UHFFFAOYSA-N 0 0 459.542 4.761 20 0 JJADRN Cc1cc(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)c(I)cc1Cl ZINC001439417757 1065825644 /nfs/dbraw/zinc/82/56/44/1065825644.db2.gz FPGVFNJXVFYGHI-JOCHJYFZSA-N 0 0 451.688 4.689 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC(=O)N(C)C ZINC001360758862 1065826354 /nfs/dbraw/zinc/82/63/54/1065826354.db2.gz WCOXNBMMSQPRCY-OAHLLOKOSA-N 0 0 487.954 4.719 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001439430085 1065826278 /nfs/dbraw/zinc/82/62/78/1065826278.db2.gz QGIUYPOEJWGXJH-NRFANRHFSA-N 0 0 450.539 4.659 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCC(=O)NC(C)(C)C ZINC001360758798 1065826450 /nfs/dbraw/zinc/82/64/50/1065826450.db2.gz VDAMIDDPWWBNFC-MZNJEOGPSA-N 0 0 492.089 4.710 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCC(=O)NC(C)(C)C ZINC001360758800 1065826566 /nfs/dbraw/zinc/82/65/66/1065826566.db2.gz VDAMIDDPWWBNFC-XDHUDOTRSA-N 0 0 492.089 4.710 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1CCOCC1 ZINC001360758958 1065826914 /nfs/dbraw/zinc/82/69/14/1065826914.db2.gz WQZKXJJEBXRYKW-DOTOQJQBSA-N 0 0 454.949 4.980 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1CCOCC1 ZINC001360758959 1065827028 /nfs/dbraw/zinc/82/70/28/1065827028.db2.gz WQZKXJJEBXRYKW-NVXWUHKLSA-N 0 0 454.949 4.980 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)CC2)n1CCN(C)CC(F)(F)F ZINC001360759153 1065827601 /nfs/dbraw/zinc/82/76/01/1065827601.db2.gz YNHDOZPPUZIQFJ-CQSZACIVSA-N 0 0 481.897 4.801 20 0 JJADRN COCCN(CC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)C(=O)OC(C)(C)C ZINC001439433097 1065827838 /nfs/dbraw/zinc/82/78/38/1065827838.db2.gz ZGXGOFWGLLFNSX-OAHLLOKOSA-N 0 0 459.292 4.597 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001360759072 1065827706 /nfs/dbraw/zinc/82/77/06/1065827706.db2.gz XTYOBXAZJPPWOG-UQBPGWFLSA-N 0 0 487.048 4.592 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1nc2ccc(C)nc2s1 ZINC001439435223 1065828485 /nfs/dbraw/zinc/82/84/85/1065828485.db2.gz AEDGKIHZXYWRBE-UHFFFAOYSA-N 0 0 456.369 4.876 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3nccc(C)c3C(=O)c3ccccc3F)CCC2=O)cc1C ZINC001439438114 1065829017 /nfs/dbraw/zinc/82/90/17/1065829017.db2.gz UQYKMVFOUROSNK-LJQANCHMSA-N 0 0 459.521 4.759 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCOC1CCCCC1 ZINC001360759703 1065829154 /nfs/dbraw/zinc/82/91/54/1065829154.db2.gz ACBLAADQPQDYAL-OALUTQOASA-N 0 0 490.048 4.513 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001360759754 1065829190 /nfs/dbraw/zinc/82/91/90/1065829190.db2.gz AZKHDCNRVWNZKN-DLBZAZTESA-N 0 0 494.036 4.600 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2ccsc2)CCO1 ZINC001360759724 1065829259 /nfs/dbraw/zinc/82/92/59/1065829259.db2.gz ARHWJBNLFPBHLT-UQJUWTFNSA-N 0 0 491.057 4.902 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1 ZINC001439455414 1065830590 /nfs/dbraw/zinc/83/05/90/1065830590.db2.gz MNBZLLSMPVEKCC-UHFFFAOYSA-N 0 0 458.703 4.899 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CCCSC1 ZINC001360759919 1065830645 /nfs/dbraw/zinc/83/06/45/1065830645.db2.gz DRRZAYGHCRPDGR-IAGOWNOFSA-N 0 0 486.032 4.602 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc2cc(Br)cnc2n1 ZINC001439462729 1065831139 /nfs/dbraw/zinc/83/11/39/1065831139.db2.gz WCIPEYDHIUULLY-JTQLQIEISA-N 0 0 451.118 4.561 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCOC(C)(C)C ZINC001360760056 1065831109 /nfs/dbraw/zinc/83/11/09/1065831109.db2.gz GXUBCESWKRWJJP-GOSISDBHSA-N 0 0 492.064 4.581 20 0 JJADRN O=C(OCc1ccccc1I)c1cc(Br)cnc1C1CC1 ZINC001439462588 1065831641 /nfs/dbraw/zinc/83/16/41/1065831641.db2.gz YBXJZGIYBXTJQM-UHFFFAOYSA-N 0 0 458.093 4.683 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c(F)c(F)c1F ZINC001439462589 1065831943 /nfs/dbraw/zinc/83/19/43/1065831943.db2.gz YCTOXRPLNLGVIU-JOCHJYFZSA-N 0 0 450.413 4.561 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)nn4)c(Cl)c3)C2)c1 ZINC001439469577 1065832339 /nfs/dbraw/zinc/83/23/39/1065832339.db2.gz WUFRNHWUUYJFIG-SFHVURJKSA-N 0 0 459.289 4.716 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCCC(F)(F)F ZINC001360760598 1065832538 /nfs/dbraw/zinc/83/25/38/1065832538.db2.gz PIDDAJSKDOILRI-IPELMVKDSA-N 0 0 488.938 4.798 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCOCC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360760589 1065832679 /nfs/dbraw/zinc/83/26/79/1065832679.db2.gz PFLGWKUMEAZDOO-QGZVFWFLSA-N 0 0 490.004 4.650 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360760676 1065833062 /nfs/dbraw/zinc/83/30/62/1065833062.db2.gz RBGIGOHSKIGEDW-JTOWHCCKSA-N 0 0 475.918 4.675 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H]1CCSC1 ZINC001360760649 1065833198 /nfs/dbraw/zinc/83/31/98/1065833198.db2.gz QOHUTKFTSJXXMQ-YESZJQIVSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H]1CCSC1 ZINC001360760647 1065833432 /nfs/dbraw/zinc/83/34/32/1065833432.db2.gz QOHUTKFTSJXXMQ-GVDBMIGSSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360760680 1065833993 /nfs/dbraw/zinc/83/39/93/1065833993.db2.gz REDWSBQUOIPKCA-FXAWDEMLSA-N 0 0 463.022 4.628 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001439495339 1065833904 /nfs/dbraw/zinc/83/39/04/1065833904.db2.gz BXVNVUANBOAYET-DWXRJYCRSA-N 0 0 454.542 4.562 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3cc(Br)ccc3C3=NCCO3)cs2)cc1 ZINC001439493401 1065834064 /nfs/dbraw/zinc/83/40/64/1065834064.db2.gz PBTPINQGXSJTJJ-UHFFFAOYSA-N 0 0 458.337 4.610 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(Br)ccc1C1=NCCO1 ZINC001439490547 1065834073 /nfs/dbraw/zinc/83/40/73/1065834073.db2.gz FWAVCORNUCKPQE-UHFFFAOYSA-N 0 0 459.731 4.626 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001360760786 1065834769 /nfs/dbraw/zinc/83/47/69/1065834769.db2.gz SQCCPQYUTODNAA-BQFCYCMXSA-N 0 0 489.945 4.894 20 0 JJADRN COc1cccc(C(C)(C)C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001439500854 1065835568 /nfs/dbraw/zinc/83/55/68/1065835568.db2.gz LZLVHERQIGSLAY-QGZVFWFLSA-N 0 0 456.558 4.842 20 0 JJADRN COCc1ccc([C@H]2COCCN2C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)o1 ZINC001439503363 1065836206 /nfs/dbraw/zinc/83/62/06/1065836206.db2.gz VQLFMDIZGZCOCQ-LJQANCHMSA-N 0 0 451.947 4.727 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCCC1CCOCC1 ZINC001360761095 1065836410 /nfs/dbraw/zinc/83/64/10/1065836410.db2.gz YVJISIYZAKDCDM-SFHVURJKSA-N 0 0 498.018 4.665 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ccc(Br)o2)C1 ZINC001439508841 1065836784 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/nfs/dbraw/zinc/83/86/76/1065838676.db2.gz FVEFAKXJPHYRGY-IRXDYDNUSA-N 0 0 483.569 4.839 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCOCC2)CCS1 ZINC001360762500 1065839564 /nfs/dbraw/zinc/83/95/64/1065839564.db2.gz GMDIBXGKFGSCRG-RXVVDRJESA-N 0 0 495.089 4.581 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1CCOCC1 ZINC001360762638 1065840074 /nfs/dbraw/zinc/84/00/74/1065840074.db2.gz JBRFKKCZZNIHLI-IKGGRYGDSA-N 0 0 451.036 4.828 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCO1 ZINC001360762765 1065841522 /nfs/dbraw/zinc/84/15/22/1065841522.db2.gz LAWBIXPKPMKBSF-IDCJVQTKSA-N 0 0 458.912 4.885 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCCn1cccn1 ZINC001360763053 1065841981 /nfs/dbraw/zinc/84/19/81/1065841981.db2.gz PIRSEZYKIGZSBP-SQNIBIBYSA-N 0 0 461.035 4.689 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)C2(C(=O)OC(C)(C)C)CCC2)C1 ZINC001439581168 1065842598 /nfs/dbraw/zinc/84/25/98/1065842598.db2.gz BSJGROQUEYROJK-SFHVURJKSA-N 0 0 458.599 4.619 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C2CC2)CCS1 ZINC001360763390 1065843160 /nfs/dbraw/zinc/84/31/60/1065843160.db2.gz VONPNBAXAHXSGM-LERMDLETSA-N 0 0 465.063 4.810 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CCS1 ZINC001360763388 1065843440 /nfs/dbraw/zinc/84/34/40/1065843440.db2.gz VONPNBAXAHXSGM-GRWTVWFQSA-N 0 0 465.063 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)c2ccccc21 ZINC001439583631 1065843958 /nfs/dbraw/zinc/84/39/58/1065843958.db2.gz ISJDPRUKGWYBFP-QZTJIDSGSA-N 0 0 450.526 4.578 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCO[C@@H]1CCOC1 ZINC001360763543 1065844046 /nfs/dbraw/zinc/84/40/46/1065844046.db2.gz YAPBFWHTQWMSDH-TWFHAPMSSA-N 0 0 499.002 4.995 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(F)cn1 ZINC001360764598 1065845298 /nfs/dbraw/zinc/84/52/98/1065845298.db2.gz CMEMUEWJPHEIKM-HNNXBMFYSA-N 0 0 470.911 4.824 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H]1CCC(F)(F)C1 ZINC001360764718 1065845315 /nfs/dbraw/zinc/84/53/15/1065845315.db2.gz DSAQLAHDWHHKHC-SJORKVTESA-N 0 0 482.547 4.828 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cscn2)n1CC(F)(F)Br ZINC001360764687 1065845596 /nfs/dbraw/zinc/84/55/96/1065845596.db2.gz DQGCBQVNIQBYPK-LLVKDONJSA-N 0 0 476.322 4.638 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)Cc3ccc(C)s3)C2)c2ccccc12 ZINC001360764729 1065846286 /nfs/dbraw/zinc/84/62/86/1065846286.db2.gz YYIXYGFZXQFHRX-PKOBYXMFSA-N 0 0 450.604 4.818 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001439591161 1065846149 /nfs/dbraw/zinc/84/61/49/1065846149.db2.gz KFLPAQHMELJXCD-OALUTQOASA-N 0 0 454.542 4.904 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc2ccccc21 ZINC001439593652 1065846364 /nfs/dbraw/zinc/84/63/64/1065846364.db2.gz AOMRPXNOSLRNLC-QGZVFWFLSA-N 0 0 454.473 4.941 20 0 JJADRN Cc1c(NC(=O)COc2ccc3ccc(=O)oc3c2)cc(Br)cc1C(F)(F)F ZINC001439594421 1065846919 /nfs/dbraw/zinc/84/69/19/1065846919.db2.gz GQEXYYLBRJQCHZ-UHFFFAOYSA-N 0 0 456.214 4.900 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnccn2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360764910 1065846914 /nfs/dbraw/zinc/84/69/14/1065846914.db2.gz HKMPCUTZMKEZSM-CYBMUJFWSA-N 0 0 493.490 4.507 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@](C)(O)C1CC1 ZINC001360765005 1065847569 /nfs/dbraw/zinc/84/75/69/1065847569.db2.gz JJJVAWKCYNORBC-LRTDBIEQSA-N 0 0 499.534 4.830 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CCC(=O)N1CCCCCC1 ZINC001360765191 1065848341 /nfs/dbraw/zinc/84/83/41/1065848341.db2.gz MQHHNAKPJJGTCO-LJQANCHMSA-N 0 0 469.561 4.579 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@]1(O)CCCC1(C)C ZINC001360765309 1065849164 /nfs/dbraw/zinc/84/91/64/1065849164.db2.gz OZUJDWNPQITCGF-IQGLISFBSA-N 0 0 453.562 4.530 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@H]1CCCSC1 ZINC001360765325 1065849233 /nfs/dbraw/zinc/84/92/33/1065849233.db2.gz PHQOTMLBAMPBJV-QZTJIDSGSA-N 0 0 478.634 4.536 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)c1ccccn1 ZINC001360765423 1065849976 /nfs/dbraw/zinc/84/99/76/1065849976.db2.gz QTKALIURFZSBJA-LJQANCHMSA-N 0 0 467.589 4.793 20 0 JJADRN Cc1ccccc1-c1csc(N(Cc2ccccc2)C(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC001439635182 1065850290 /nfs/dbraw/zinc/85/02/90/1065850290.db2.gz DQIVDUGMDIFBDK-UHFFFAOYSA-N 0 0 454.617 4.867 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360765499 1065850465 /nfs/dbraw/zinc/85/04/65/1065850465.db2.gz SCMZYLBXOJKLHG-PNLZDCPESA-N 0 0 491.011 4.642 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1Cc1ccc(Cl)nc1 ZINC001360765493 1065850631 /nfs/dbraw/zinc/85/06/31/1065850631.db2.gz SCBNIVJLZQXGAB-FUHWJXTLSA-N 0 0 459.953 4.517 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CCC1(O)CCOCC1 ZINC001360765425 1065850699 /nfs/dbraw/zinc/85/06/99/1065850699.db2.gz QTQKRPYIZIXYQY-LJQANCHMSA-N 0 0 460.594 4.505 20 0 JJADRN Cc1ccccc1-c1csc(N(Cc2ccccc2)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n1 ZINC001439636813 1065851358 /nfs/dbraw/zinc/85/13/58/1065851358.db2.gz LUCPEUPVRISEQW-UXHICEINSA-N 0 0 462.493 4.998 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCc1ccsc1 ZINC001360765649 1065851335 /nfs/dbraw/zinc/85/13/35/1065851335.db2.gz WCPWJFBBBQSDLY-QGZVFWFLSA-N 0 0 474.602 4.697 20 0 JJADRN CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)N1CCOCC1 ZINC001360765623 1065851480 /nfs/dbraw/zinc/85/14/80/1065851480.db2.gz VMCFFHTUGXQBSZ-ZJSXRUAMSA-N 0 0 487.664 4.931 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360765656 1065851518 /nfs/dbraw/zinc/85/15/18/1065851518.db2.gz WFBDSGGSNUVNOP-DLBZAZTESA-N 0 0 488.633 4.617 20 0 JJADRN COCCOc1ccc(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)c(Cl)c1 ZINC001439640271 1065851736 /nfs/dbraw/zinc/85/17/36/1065851736.db2.gz XWWQFOHZLQJUMO-UHFFFAOYSA-N 0 0 459.167 4.980 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2OCc2ccccc2)c1 ZINC001439639557 1065851760 /nfs/dbraw/zinc/85/17/60/1065851760.db2.gz YWNHGXCSNHQUQX-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC001360765994 1065851960 /nfs/dbraw/zinc/85/19/60/1065851960.db2.gz CTBNMCVDPWYJLV-UHFFFAOYSA-N 0 0 450.360 4.906 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cccc(C)c2OCc2ccccc2)C1 ZINC001439641364 1065852253 /nfs/dbraw/zinc/85/22/53/1065852253.db2.gz AEENSJCGCTZCIO-XMMPIXPASA-N 0 0 457.530 4.711 20 0 JJADRN Cn1ccc(CC(=O)N[C@H](Cc2c(F)cccc2Cl)c2ccccc2Br)n1 ZINC001360766622 1065853258 /nfs/dbraw/zinc/85/32/58/1065853258.db2.gz ZRLMAWZTADXJRG-LJQANCHMSA-N 0 0 450.739 4.618 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CCCCC1(F)F ZINC001360766652 1065853397 /nfs/dbraw/zinc/85/33/97/1065853397.db2.gz AFZOECCRLZFCCZ-ROUUACIJSA-N 0 0 474.531 4.852 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c2ccccc12 ZINC001439657125 1065853546 /nfs/dbraw/zinc/85/35/46/1065853546.db2.gz PWCJOZGZTUWVQY-UHFFFAOYSA-N 0 0 454.408 4.787 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@@]1(C)CCCS1 ZINC001360766798 1065854095 /nfs/dbraw/zinc/85/40/95/1065854095.db2.gz CUBQCMHGRVYZJP-OPAMFIHVSA-N 0 0 461.632 4.978 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCCc2ccccn2)n1C[C@H]1CCSC1 ZINC001360766780 1065854109 /nfs/dbraw/zinc/85/41/09/1065854109.db2.gz CPSAZDOZLFFARR-RBUKOAKNSA-N 0 0 455.603 4.774 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360766873 1065854513 /nfs/dbraw/zinc/85/45/13/1065854513.db2.gz FIOJDJREYCGTOI-QAETUUGQSA-N 0 0 483.510 4.518 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(Cl)nc1 ZINC001360766865 1065854673 /nfs/dbraw/zinc/85/46/73/1065854673.db2.gz FGWQPQHYBIFEFA-MRXNPFEDSA-N 0 0 461.969 4.905 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@](C)(O)c1cccs1 ZINC001360766995 1065855368 /nfs/dbraw/zinc/85/53/68/1065855368.db2.gz HOYSQIDJPUBTKF-MWTRTKDXSA-N 0 0 487.626 4.662 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@](C)(O)c1cccs1 ZINC001360766994 1065855473 /nfs/dbraw/zinc/85/54/73/1065855473.db2.gz HOYSQIDJPUBTKF-HJPURHCSSA-N 0 0 487.626 4.662 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCC(=O)N1CCCCCC1 ZINC001360767342 1065856027 /nfs/dbraw/zinc/85/60/27/1065856027.db2.gz NUJRLYYQKHJFMS-FQEVSTJZSA-N 0 0 489.636 4.601 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360767255 1065856134 /nfs/dbraw/zinc/85/61/34/1065856134.db2.gz MMIVMGIOZCEHLD-LJQANCHMSA-N 0 0 493.587 4.511 20 0 JJADRN C/C(=C\C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001439680125 1065856689 /nfs/dbraw/zinc/85/66/89/1065856689.db2.gz RDYPESIOVWXJGM-SDNWHVSQSA-N 0 0 450.461 4.695 20 0 JJADRN 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ZYPOOTZAGLTDKO-SGWGQVFISA-N 0 0 459.011 4.833 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCSCC(F)(F)F ZINC001360773699 1065872507 /nfs/dbraw/zinc/87/25/07/1065872507.db2.gz KLWRSPNHIFOLRY-NUJGCVRESA-N 0 0 488.551 4.858 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)c3cc4cc(C)cc(Br)c4o3)cc21 ZINC001439771409 1065873117 /nfs/dbraw/zinc/87/31/17/1065873117.db2.gz FCSZEZBPCRDWIB-UHFFFAOYSA-N 0 0 457.324 4.682 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCC(C)(F)F ZINC001360774644 1065873981 /nfs/dbraw/zinc/87/39/81/1065873981.db2.gz SDTLRCNRWMTSIG-OAHLLOKOSA-N 0 0 479.469 4.677 20 0 JJADRN CCOC(=O)C1([C@@H](C)NC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)CCOCC1 ZINC001439776431 1065874282 /nfs/dbraw/zinc/87/42/82/1065874282.db2.gz OFEVWXPOBBJBST-HYBUGGRVSA-N 0 0 453.579 4.795 20 0 JJADRN CCOC(=O)C1([C@H](C)NC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)CCOCC1 ZINC001439776429 1065874326 /nfs/dbraw/zinc/87/43/26/1065874326.db2.gz OFEVWXPOBBJBST-GBXCKJPGSA-N 0 0 453.579 4.795 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H]1CCCOC1 ZINC001360774899 1065874545 /nfs/dbraw/zinc/87/45/45/1065874545.db2.gz PVOVPYRXPBORFF-BBWFWOEESA-N 0 0 456.484 4.763 20 0 JJADRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439779137 1065875584 /nfs/dbraw/zinc/87/55/84/1065875584.db2.gz QFSVRYUOOIACTP-UHFFFAOYSA-N 0 0 455.356 4.985 20 0 JJADRN CCO[C@H](C(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1)C1CCCC1 ZINC001439782856 1065875646 /nfs/dbraw/zinc/87/56/46/1065875646.db2.gz AMVISSWINVGIBQ-FPOVZHCZSA-N 0 0 455.380 4.810 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc(C(F)(F)F)c1 ZINC001439788796 1065877566 /nfs/dbraw/zinc/87/75/66/1065877566.db2.gz KYPGNWXHJQALIX-LJQANCHMSA-N 0 0 450.457 4.785 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCC(C)(F)F ZINC001360775399 1065877542 /nfs/dbraw/zinc/87/75/42/1065877542.db2.gz TULNNUUGQKIUKG-IAGOWNOFSA-N 0 0 462.520 4.720 20 0 JJADRN Cc1cccc([C@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C(=O)OC(C)(C)C)c1 ZINC001439791680 1065878068 /nfs/dbraw/zinc/87/80/68/1065878068.db2.gz VXEFBXWHRIDROB-INIZCTEOSA-N 0 0 450.377 4.522 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCc3cc(Br)c(F)cc3C2)c(=O)[nH]1 ZINC001439790489 1065878151 /nfs/dbraw/zinc/87/81/51/1065878151.db2.gz WJTYSGLVAGDQRA-UHFFFAOYSA-N 0 0 457.299 4.563 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCC2(C)C)n1CCCN1CCCCCC1=O ZINC001360775639 1065878660 /nfs/dbraw/zinc/87/86/60/1065878660.db2.gz XGTNSIKQBLYINI-LJQANCHMSA-N 0 0 457.594 4.729 20 0 JJADRN COc1ccc(CCCC(=O)Nc2ccc(I)c(Cl)c2)cc1OC ZINC001439800006 1065880167 /nfs/dbraw/zinc/88/01/67/1065880167.db2.gz OJMSVNUQCRTCOJ-UHFFFAOYSA-N 0 0 459.711 4.923 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)C1 ZINC001439800915 1065880191 /nfs/dbraw/zinc/88/01/91/1065880191.db2.gz RJHCPVRDZWNSCU-UHFFFAOYSA-N 0 0 453.255 4.543 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)cc2)no1 ZINC001360776422 1065880446 /nfs/dbraw/zinc/88/04/46/1065880446.db2.gz MPNBSIGYUWAJTH-UHFFFAOYSA-N 0 0 451.523 4.577 20 0 JJADRN CCCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001360776763 1065880479 /nfs/dbraw/zinc/88/04/79/1065880479.db2.gz LFZFCGYECOCTBQ-MSOLQXFVSA-N 0 0 454.434 4.811 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001360776941 1065880495 /nfs/dbraw/zinc/88/04/95/1065880495.db2.gz NMGQORZNBKLIFQ-AREMUKBSSA-N 0 0 451.567 4.779 20 0 JJADRN O=C(COc1ccc(Oc2ccccc2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001360776848 1065880509 /nfs/dbraw/zinc/88/05/09/1065880509.db2.gz SOLOFADKXVMQLZ-QFIPXVFZSA-N 0 0 450.922 4.823 20 0 JJADRN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC001360776417 1065880767 /nfs/dbraw/zinc/88/07/67/1065880767.db2.gz MNRNQAJFGOKOSF-GOSISDBHSA-N 0 0 452.942 4.613 20 0 JJADRN CC(C)c1cncc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)c1 ZINC001439818378 1065881497 /nfs/dbraw/zinc/88/14/97/1065881497.db2.gz GLYXEELFAXYGAU-INIZCTEOSA-N 0 0 453.539 4.736 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001360777373 1065881510 /nfs/dbraw/zinc/88/15/10/1065881510.db2.gz ZQANZKOTZKVECZ-FQEVSTJZSA-N 0 0 453.995 4.880 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000025876428 1065881887 /nfs/dbraw/zinc/88/18/87/1065881887.db2.gz VCJCYKGDXCGZPZ-UHFFFAOYSA-N 0 0 456.527 4.829 20 0 JJADRN COCCOCCOc1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1Br ZINC001439819251 1065882343 /nfs/dbraw/zinc/88/23/43/1065882343.db2.gz ABLHMXYPWCGFJD-CYBMUJFWSA-N 0 0 458.299 4.511 20 0 JJADRN CCc1nc(OC)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001439821316 1065882451 /nfs/dbraw/zinc/88/24/51/1065882451.db2.gz BUAZAXKAZICUOJ-UHFFFAOYSA-N 0 0 455.440 4.900 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCc1cnn(C)c1 ZINC001360777868 1065882697 /nfs/dbraw/zinc/88/26/97/1065882697.db2.gz HCNPNHOVIGHXCU-BCHFMIIMSA-N 0 0 484.620 4.565 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1CCCC(C)(C)C ZINC001360777817 1065882751 /nfs/dbraw/zinc/88/27/51/1065882751.db2.gz GHOSKFNWLPBMLT-CEYNDMKZSA-N 0 0 460.594 4.768 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CCS1 ZINC001360778043 1065883432 /nfs/dbraw/zinc/88/34/32/1065883432.db2.gz JWKLCYWVNJPOFL-CRAIPNDOSA-N 0 0 480.560 4.775 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC001439828287 1065883784 /nfs/dbraw/zinc/88/37/84/1065883784.db2.gz SFOGPYATQCDQJQ-UHFFFAOYSA-N 0 0 450.749 4.548 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccccn2)CCS1 ZINC001360778185 1065883953 /nfs/dbraw/zinc/88/39/53/1065883953.db2.gz LPECKTILQUDHEF-AVRDEDQJSA-N 0 0 455.603 4.773 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccnc1SCc1cccc(Br)c1)c1cnn(C)c1 ZINC001439830993 1065884215 /nfs/dbraw/zinc/88/42/15/1065884215.db2.gz DBGIIAOIGBJIJM-IBGZPJMESA-N 0 0 459.413 4.997 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)c1)c1cccc(Br)c1 ZINC001439838833 1065885082 /nfs/dbraw/zinc/88/50/82/1065885082.db2.gz FUUPPDQYPFQKDJ-GHTZIAJQSA-N 0 0 457.368 4.636 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)c1)c1cccc(Br)c1 ZINC001439838839 1065885196 /nfs/dbraw/zinc/88/51/96/1065885196.db2.gz FUUPPDQYPFQKDJ-WIYYLYMNSA-N 0 0 457.368 4.636 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCOC(C)(C)C ZINC001360778434 1065885031 /nfs/dbraw/zinc/88/50/31/1065885031.db2.gz PKYVXRLDBCREEY-ICSRJNTNSA-N 0 0 460.594 4.625 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC001360778528 1065885119 /nfs/dbraw/zinc/88/51/19/1065885119.db2.gz ATMSUBHOTRIXGG-LVXARBLLSA-N 0 0 454.636 4.712 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC001360778530 1065885202 /nfs/dbraw/zinc/88/52/02/1065885202.db2.gz ATMSUBHOTRIXGG-RLWLMLJZSA-N 0 0 454.636 4.712 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)nc1I ZINC001360778792 1065885660 /nfs/dbraw/zinc/88/56/60/1065885660.db2.gz FDPCIRNJZCMWEK-RDTXWAMCSA-N 0 0 450.320 4.617 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001439850273 1065886278 /nfs/dbraw/zinc/88/62/78/1065886278.db2.gz VGDDQHHXCQASEK-CQSZACIVSA-N 0 0 456.848 4.738 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC001439852371 1065886303 /nfs/dbraw/zinc/88/63/03/1065886303.db2.gz HHGPEONBDHLQCI-SFHVURJKSA-N 0 0 452.429 4.541 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001360779289 1065886507 /nfs/dbraw/zinc/88/65/07/1065886507.db2.gz WVMMIFVJPWWFDJ-MKXGPGLRSA-N 0 0 491.583 4.799 20 0 JJADRN C[C@@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)N[C@H](C)C1(C)CC1 ZINC001439857430 1065886992 /nfs/dbraw/zinc/88/69/92/1065886992.db2.gz FCSHVKBXPDJCIU-GHMZBOCLSA-N 0 0 458.727 4.565 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3cnn(-c4cccc(Br)c4)c3)ccc2s1 ZINC001439869824 1065887572 /nfs/dbraw/zinc/88/75/72/1065887572.db2.gz HNFPQEFVROVSCZ-UHFFFAOYSA-N 0 0 456.321 4.888 20 0 JJADRN Cc1cc2nc(C)cc(C(=O)Nc3ccc(OCc4ccccc4)c(Br)c3)n2n1 ZINC001360779687 1065887653 /nfs/dbraw/zinc/88/76/53/1065887653.db2.gz OFJFNWCSESLWQX-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3)ccc2s1 ZINC001439869786 1065887829 /nfs/dbraw/zinc/88/78/29/1065887829.db2.gz GYAILVQOVLGICN-UHFFFAOYSA-N 0 0 456.321 4.888 20 0 JJADRN C[C@@H](OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1)c1ccccc1 ZINC001360780192 1065888083 /nfs/dbraw/zinc/88/80/83/1065888083.db2.gz FIQZKDVQFALQCL-LJQANCHMSA-N 0 0 499.706 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001439878529 1065888411 /nfs/dbraw/zinc/88/84/11/1065888411.db2.gz GGYHDLJVOZBLJJ-LGVFNWMJSA-N 0 0 450.579 4.742 20 0 JJADRN C[C@@H](OCCCn1c(N2CCCN(c3nccs3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360780244 1065888910 /nfs/dbraw/zinc/88/89/10/1065888910.db2.gz GDHGRZMDQNARDS-HXUWFJFHSA-N 0 0 468.671 4.917 20 0 JJADRN C[C@H](OCCCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780598 1065889403 /nfs/dbraw/zinc/88/94/03/1065889403.db2.gz ILSWSQXTMKIEJD-NZQKXSOJSA-N 0 0 492.624 4.611 20 0 JJADRN C[C@@H](OCCCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780599 1065889481 /nfs/dbraw/zinc/88/94/81/1065889481.db2.gz ILSWSQXTMKIEJD-OFNKIYASSA-N 0 0 492.624 4.611 20 0 JJADRN O=C(NCc1ncc(Br)cn1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001439894467 1065889608 /nfs/dbraw/zinc/88/96/08/1065889608.db2.gz KOXLDOHYJHDDOX-UHFFFAOYSA-N 0 0 453.271 4.630 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC001439896303 1065889707 /nfs/dbraw/zinc/88/97/07/1065889707.db2.gz WLVDZHGLDIQQBJ-QAPCUYQASA-N 0 0 458.352 4.789 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 ZINC001439896289 1065889869 /nfs/dbraw/zinc/88/98/69/1065889869.db2.gz WLVDZHGLDIQQBJ-MAUKXSAKSA-N 0 0 458.352 4.789 20 0 JJADRN C[C@@H](OCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780733 1065890112 /nfs/dbraw/zinc/89/01/12/1065890112.db2.gz KQWPYNFLDBGPMW-CTNGQTDRSA-N 0 0 480.613 4.545 20 0 JJADRN C[C@@H](OCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780736 1065890274 /nfs/dbraw/zinc/89/02/74/1065890274.db2.gz KQWPYNFLDBGPMW-TZIWHRDSSA-N 0 0 480.613 4.545 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1 ZINC001439904314 1065890600 /nfs/dbraw/zinc/89/06/00/1065890600.db2.gz HCXXTANEWWVRHJ-QGZVFWFLSA-N 0 0 451.832 4.579 20 0 JJADRN C[C@@H](OCCCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780867 1065890696 /nfs/dbraw/zinc/89/06/96/1065890696.db2.gz MMWDPLQYLVAXSH-IRLDBZIGSA-N 0 0 494.640 4.555 20 0 JJADRN C[C@@H](OCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001360780887 1065890742 /nfs/dbraw/zinc/89/07/42/1065890742.db2.gz MYDVFEYCYWASSE-ZHALLVOQSA-N 0 0 460.504 4.538 20 0 JJADRN C[C@H](OCCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780912 1065890809 /nfs/dbraw/zinc/89/08/09/1065890809.db2.gz NGTSLBGIWRDDRH-DXIQSLLYSA-N 0 0 469.630 4.673 20 0 JJADRN C[C@@H](OCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 ZINC001360780799 1065890872 /nfs/dbraw/zinc/89/08/72/1065890872.db2.gz LPTOCOFAWVVKHU-SJLPKXTDSA-N 0 0 451.398 4.849 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)c1cn2ccc(Br)cc2n1 ZINC001439905405 1065890912 /nfs/dbraw/zinc/89/09/12/1065890912.db2.gz KAQBFGHSRGXCBU-UHFFFAOYSA-N 0 0 457.715 4.868 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cn(-c3ccccc3Br)nn2)cc2ccccc21 ZINC001439905355 1065891246 /nfs/dbraw/zinc/89/12/46/1065891246.db2.gz JRQPXAOVVKVAGI-CQSZACIVSA-N 0 0 451.324 4.683 20 0 JJADRN C[C@@H](OCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C)c1ccccc1 ZINC001360781348 1065891915 /nfs/dbraw/zinc/89/19/15/1065891915.db2.gz XBOCEUWOFUBVLQ-TZIWHRDSSA-N 0 0 451.619 4.505 20 0 JJADRN CC[C@H](C(=O)N1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001439917788 1065891968 /nfs/dbraw/zinc/89/19/68/1065891968.db2.gz GFOBRIAMIXEZQS-ZJBJCVSYSA-N 0 0 451.405 4.849 20 0 JJADRN C[C@H](OCCCn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C)c1ccccc1 ZINC001360781281 1065892122 /nfs/dbraw/zinc/89/21/22/1065892122.db2.gz VPFZRRNMOQCKJX-INIZCTEOSA-N 0 0 484.402 4.691 20 0 JJADRN CCO[C@]12CCC[C@@]1(NC(=O)CCc1cc(C(F)(F)F)ccc1Br)CCO2 ZINC001439921756 1065892319 /nfs/dbraw/zinc/89/23/19/1065892319.db2.gz WDICMUWSMKVNJQ-MSOLQXFVSA-N 0 0 450.295 4.593 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC001439920279 1065892566 /nfs/dbraw/zinc/89/25/66/1065892566.db2.gz SSVVSDNTRHZMDP-UHFFFAOYSA-N 0 0 451.567 4.821 20 0 JJADRN C[C@H](OCCCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360781486 1065893161 /nfs/dbraw/zinc/89/31/61/1065893161.db2.gz ZOOPFODXJABNGO-REWPJTCUSA-N 0 0 483.657 4.892 20 0 JJADRN CN1C(=O)CCc2cc(C(=O)Nc3ccnc(Oc4ccccc4Br)c3)ccc21 ZINC001360782353 1065893307 /nfs/dbraw/zinc/89/33/07/1065893307.db2.gz AZVAALSTBWMVBS-UHFFFAOYSA-N 0 0 452.308 4.798 20 0 JJADRN CCO[C@]12CCC[C@@]1(NC(=O)Cc1c(C)nn(-c3ccc(Cl)c(Cl)c3)c1C)CCO2 ZINC001439928095 1065893687 /nfs/dbraw/zinc/89/36/87/1065893687.db2.gz YNLBNJDSWSDUGA-YADHBBJMSA-N 0 0 452.382 4.530 20 0 JJADRN CCCCOCCN(C(=O)c1cc(-c2cccnc2)nn1C)c1ccc(Br)cc1 ZINC001360782707 1065894029 /nfs/dbraw/zinc/89/40/29/1065894029.db2.gz OCHXGEMKYOOCMT-UHFFFAOYSA-N 0 0 457.372 4.708 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1OCc1c(C)noc1C ZINC001439935735 1065894307 /nfs/dbraw/zinc/89/43/07/1065894307.db2.gz OVZRWTBQZNPACU-WDNSQEDJSA-N 0 0 470.566 4.519 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1)c1cccc(Br)c1 ZINC001439942129 1065895022 /nfs/dbraw/zinc/89/50/22/1065895022.db2.gz SLAOFDBOXZKDFS-OAQYLSRUSA-N 0 0 450.336 4.978 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1)c1ccc(C)cc1 ZINC001439947339 1065895049 /nfs/dbraw/zinc/89/50/49/1065895049.db2.gz ABAVOLHIGJQZAN-OAHLLOKOSA-N 0 0 451.470 4.752 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1ccc(F)cc1F ZINC001439952013 1065895067 /nfs/dbraw/zinc/89/50/67/1065895067.db2.gz AEBIVEJNUJEBTM-MRXNPFEDSA-N 0 0 458.665 4.773 20 0 JJADRN C[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)c1cccc(C(=O)c2ccccc2)c1 ZINC001439958919 1065896513 /nfs/dbraw/zinc/89/65/13/1065896513.db2.gz XXBYKKPPBLVFLV-OSPHWJPCSA-N 0 0 459.496 4.939 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2ncc3c(n2)CC[C@@H](C)C3)s1 ZINC001439958640 1065896796 /nfs/dbraw/zinc/89/67/96/1065896796.db2.gz DRBAFKBUWOJFAW-LLVKDONJSA-N 0 0 459.369 4.748 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)c2csc3ccccc32)c1 ZINC001439960215 1065897547 /nfs/dbraw/zinc/89/75/47/1065897547.db2.gz CURKWYSXRSVTMK-LBPRGKRZSA-N 0 0 452.395 4.948 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1nc(-c2ccccc2F)oc1C)c1ccc(C(F)(F)F)cc1 ZINC001439961275 1065897977 /nfs/dbraw/zinc/89/79/77/1065897977.db2.gz QKYUUMBKCNWEDA-KRWDZBQOSA-N 0 0 450.388 4.842 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCCSC[C@@H]3C)c3ccccc3n2)cc(OC)c1OC 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CC[C@@H]1CN(C(=O)c2cccc([C@@H]3CCOC3)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360792820 1065907754 /nfs/dbraw/zinc/90/77/54/1065907754.db2.gz BKHJTBYIZFAQCJ-UBFVSLLYSA-N 0 0 450.579 4.842 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793807 1065908119 /nfs/dbraw/zinc/90/81/19/1065908119.db2.gz OEWMPUUBUONOGZ-WOJBJXKFSA-N 0 0 457.571 4.642 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)/C=C/c1cnc3ccccc3n1)CC2 ZINC001440067894 1065908391 /nfs/dbraw/zinc/90/83/91/1065908391.db2.gz YLFXKIGKVQAWRU-BREAQWACSA-N 0 0 450.583 4.527 20 0 JJADRN C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCC(F)(F)C2)C1 ZINC001360794319 1065908746 /nfs/dbraw/zinc/90/87/46/1065908746.db2.gz NALBMYHQVAFMCJ-YCRPNKLZSA-N 0 0 496.400 4.625 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3cc(=O)[nH]c4ccc(F)cc43)cc2)c1 ZINC001360794835 1065909149 /nfs/dbraw/zinc/90/91/49/1065909149.db2.gz ZJWJKFVXSSOFNF-UHFFFAOYSA-N 0 0 452.463 4.528 20 0 JJADRN COc1cccc(OCCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)c1 ZINC001360795361 1065909620 /nfs/dbraw/zinc/90/96/20/1065909620.db2.gz CPMNJEAVNZEOBJ-UHFFFAOYSA-N 0 0 457.530 4.755 20 0 JJADRN CN(CC(=O)Nc1cccc(CSC2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001360795572 1065909719 /nfs/dbraw/zinc/90/97/19/1065909719.db2.gz IKGVPHYIHGRDHZ-UHFFFAOYSA-N 0 0 453.029 4.775 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 ZINC001440080014 1065909988 /nfs/dbraw/zinc/90/99/88/1065909988.db2.gz OGCAOIVYEWWJPV-ZDUSSCGKSA-N 0 0 454.748 4.638 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC001360796558 1065910060 /nfs/dbraw/zinc/91/00/60/1065910060.db2.gz ZCSONIOHTDCSAD-JOCHJYFZSA-N 0 0 452.595 4.681 20 0 JJADRN CC(C)(C)C1CC(n2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001360797657 1065910068 /nfs/dbraw/zinc/91/00/68/1065910068.db2.gz UKSKBJXVVLEXEB-DWFFKFSKSA-N 0 0 480.440 4.863 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1)C1CC1 ZINC001360799686 1065910795 /nfs/dbraw/zinc/91/07/95/1065910795.db2.gz KSQCKABJQRUKQR-AREMUKBSSA-N 0 0 455.558 4.697 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC001440082726 1065910811 /nfs/dbraw/zinc/91/08/11/1065910811.db2.gz YCWMIAOEOCETKH-UHFFFAOYSA-N 0 0 452.986 4.563 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001440097595 1065911163 /nfs/dbraw/zinc/91/11/63/1065911163.db2.gz BMWNXCKRMPRCHU-UHFFFAOYSA-N 0 0 451.567 4.770 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001360800457 1065911165 /nfs/dbraw/zinc/91/11/65/1065911165.db2.gz DEANUAZDNVUENY-WIYYLYMNSA-N 0 0 459.631 4.713 20 0 JJADRN Cn1c2ccccc2n(CCC(=O)N2CCCC[C@H]2CCSc2ccc(Cl)cc2)c1=O ZINC001440093409 1065911225 /nfs/dbraw/zinc/91/12/25/1065911225.db2.gz CIMKSIFGOXIKGF-IBGZPJMESA-N 0 0 458.027 4.947 20 0 JJADRN Cn1c2ccccc2n(CCC(=O)N2CCCC[C@@H]2CCSc2ccc(Cl)cc2)c1=O ZINC001440093416 1065911247 /nfs/dbraw/zinc/91/12/47/1065911247.db2.gz CIMKSIFGOXIKGF-LJQANCHMSA-N 0 0 458.027 4.947 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1noc2c1CCCC2)c1ccc(Br)cc1 ZINC001440092324 1065911315 /nfs/dbraw/zinc/91/13/15/1065911315.db2.gz OZQZQGIKKQBQBX-INIZCTEOSA-N 0 0 450.333 4.520 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC001360800594 1065911299 /nfs/dbraw/zinc/91/12/99/1065911299.db2.gz HILOIJAFTQRZGU-MPGHIAIKSA-N 0 0 455.393 4.511 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Br)cc2OC(C)C)o1 ZINC001360800381 1065911354 /nfs/dbraw/zinc/91/13/54/1065911354.db2.gz BISRQBYVXPSZAP-IBGZPJMESA-N 0 0 456.340 4.868 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)COc2ccc(C3SCCCS3)cc2)[C@@H]1C ZINC001440101104 1065911764 /nfs/dbraw/zinc/91/17/64/1065911764.db2.gz IYTXQKVTKPNGAM-BZLDKRAPSA-N 0 0 451.654 4.759 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001360801273 1065911777 /nfs/dbraw/zinc/91/17/77/1065911777.db2.gz YRANXHQKSHJAPT-ACJLOTCBSA-N 0 0 457.493 4.572 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3Br)o2)c(OC)c1 ZINC001440106005 1065912051 /nfs/dbraw/zinc/91/20/51/1065912051.db2.gz GVTPILAJMGJHDD-CQSZACIVSA-N 0 0 459.340 4.931 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001360801347 1065912130 /nfs/dbraw/zinc/91/21/30/1065912130.db2.gz ARPNFBNOVAOBMD-LJQANCHMSA-N 0 0 467.658 4.683 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC2CC(C)(C)C2)cc1 ZINC001360801447 1065912176 /nfs/dbraw/zinc/91/21/76/1065912176.db2.gz DOQKIQLPDFXBEX-UHFFFAOYSA-N 0 0 458.672 4.692 20 0 JJADRN CC1(C)CC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001360801886 1065913153 /nfs/dbraw/zinc/91/31/53/1065913153.db2.gz RFESQIRCXLXETA-MRXNPFEDSA-N 0 0 457.928 4.977 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001440114103 1065913255 /nfs/dbraw/zinc/91/32/55/1065913255.db2.gz UFLMAUFOALJTST-OAHLLOKOSA-N 0 0 450.898 4.602 20 0 JJADRN Cc1nc(C2CCC2)sc1CC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001440113460 1065913361 /nfs/dbraw/zinc/91/33/61/1065913361.db2.gz RHUFDCJWWUIJPS-INIZCTEOSA-N 0 0 457.600 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2cccc(F)c2Br)C1 ZINC001440119507 1065913777 /nfs/dbraw/zinc/91/37/77/1065913777.db2.gz UTPHDXASQBLGCD-OAQYLSRUSA-N 0 0 455.368 4.984 20 0 JJADRN COCC[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001440127094 1065914224 /nfs/dbraw/zinc/91/42/24/1065914224.db2.gz ZQKUOFPNQYSWAF-KSFYIVLOSA-N 0 0 456.505 4.733 20 0 JJADRN CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360802610 1065914389 /nfs/dbraw/zinc/91/43/89/1065914389.db2.gz KCWPVJYZJBKBHM-OAQYLSRUSA-N 0 0 490.929 4.572 20 0 JJADRN NC(=O)NC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1 ZINC001440137894 1065914827 /nfs/dbraw/zinc/91/48/27/1065914827.db2.gz KWDAXPUCVNFWAB-UHFFFAOYSA-N 0 0 450.907 4.678 20 0 JJADRN 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ZINC001360850846 1065962367 /nfs/dbraw/zinc/96/23/67/1065962367.db2.gz RQGINAGSVKCDCE-KRWDZBQOSA-N 0 0 494.503 4.557 20 0 JJADRN Cc1sc(C)c(Cn2c(Cc3cccnc3)nnc2N2CCS[C@@H](C)C2)c1Br ZINC001360850902 1065962796 /nfs/dbraw/zinc/96/27/96/1065962796.db2.gz UFGXCWWHXIGOHC-ZDUSSCGKSA-N 0 0 478.485 4.695 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360850998 1065962878 /nfs/dbraw/zinc/96/28/78/1065962878.db2.gz XXNDRLYEDXPFRU-UHFFFAOYSA-N 0 0 470.456 4.712 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NC2CCCCC2)CC1 ZINC001360851101 1065963143 /nfs/dbraw/zinc/96/31/43/1065963143.db2.gz ATIXLHQEBSUIQF-UHFFFAOYSA-N 0 0 492.849 4.926 20 0 JJADRN CC(C)(CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Cc1ccc(Cl)cc1 ZINC001440678324 1065963896 /nfs/dbraw/zinc/96/38/96/1065963896.db2.gz CZRXSJNFCVXJRB-UHFFFAOYSA-N 0 0 456.970 4.905 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)cc1 ZINC001440681016 1065964706 /nfs/dbraw/zinc/96/47/06/1065964706.db2.gz HCJPBEPGJQKCLP-NRFANRHFSA-N 0 0 456.564 4.902 20 0 JJADRN Cc1ccsc1CCn1c(N2CCC(C)=C(Br)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360851459 1065964760 /nfs/dbraw/zinc/96/47/60/1065964760.db2.gz KYYZGWKNQPPZIG-JOCHJYFZSA-N 0 0 495.487 4.810 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccs2)CC1 ZINC001360851397 1065964802 /nfs/dbraw/zinc/96/48/02/1065964802.db2.gz JPBPAQLPSAXTMZ-OAQYLSRUSA-N 0 0 481.460 4.502 20 0 JJADRN Cc1cc(N2CCN(C(=O)c3cccc4cccc(Br)c43)CC2)nc(C(C)C)n1 ZINC001440680542 1065965140 /nfs/dbraw/zinc/96/51/40/1065965140.db2.gz BZFOTNWUJLAWFQ-UHFFFAOYSA-N 0 0 453.384 4.787 20 0 JJADRN Cc1c(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)[nH]nc1C(F)(F)F ZINC001440681864 1065965475 /nfs/dbraw/zinc/96/54/75/1065965475.db2.gz OPLHOLUZWANTGK-UHFFFAOYSA-N 0 0 452.477 4.563 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)c1 ZINC001360851702 1065965488 /nfs/dbraw/zinc/96/54/88/1065965488.db2.gz ISZCKIQEPHKIKN-HNNXBMFYSA-N 0 0 457.324 4.842 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360851867 1065965879 /nfs/dbraw/zinc/96/58/79/1065965879.db2.gz TVQIIOLTMDOVGT-KBPBESRZSA-N 0 0 499.251 4.730 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cnn(C)c2)CC1 ZINC001360851856 1065965944 /nfs/dbraw/zinc/96/59/44/1065965944.db2.gz SSWJBGPQBYSFOW-UHFFFAOYSA-N 0 0 493.812 4.983 20 0 JJADRN Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360851824 1065966029 /nfs/dbraw/zinc/96/60/29/1065966029.db2.gz RTJMBQYCKKNVMQ-HNNXBMFYSA-N 0 0 453.331 4.557 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360851869 1065966416 /nfs/dbraw/zinc/96/64/16/1065966416.db2.gz TVQIIOLTMDOVGT-UONOGXRCSA-N 0 0 499.251 4.730 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360851868 1065966579 /nfs/dbraw/zinc/96/65/79/1065966579.db2.gz TVQIIOLTMDOVGT-KGLIPLIRSA-N 0 0 499.251 4.730 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360852039 1065966918 /nfs/dbraw/zinc/96/69/18/1065966918.db2.gz WBWUYANGSBYYBH-QFBILLFUSA-N 0 0 462.436 4.994 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360852040 1065966939 /nfs/dbraw/zinc/96/69/39/1065966939.db2.gz WBWUYANGSBYYBH-VQIMIIECSA-N 0 0 462.436 4.994 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cccn2C)nnc1N1CCC(C)=C(Br)C1 ZINC001360852012 1065967066 /nfs/dbraw/zinc/96/70/66/1065967066.db2.gz VGHUCSITNSOCQM-UHFFFAOYSA-N 0 0 456.388 4.550 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC001360852254 1065967385 /nfs/dbraw/zinc/96/73/85/1065967385.db2.gz SMZAAXCMAHBFJO-CQSZACIVSA-N 0 0 450.482 4.964 20 0 JJADRN C[C@H](OCCCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001440689002 1065967422 /nfs/dbraw/zinc/96/74/22/1065967422.db2.gz YQQMRSGKWVZXIZ-KRWDZBQOSA-N 0 0 458.521 4.850 20 0 JJADRN C[C@@H](OCCCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001440689004 1065967506 /nfs/dbraw/zinc/96/75/06/1065967506.db2.gz YQQMRSGKWVZXIZ-QGZVFWFLSA-N 0 0 458.521 4.850 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)cc1 ZINC001440701663 1065967842 /nfs/dbraw/zinc/96/78/42/1065967842.db2.gz IYBTXTBPIRGUTI-UHFFFAOYSA-N 0 0 450.495 4.555 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(OCC(F)(F)F)c3)s2)c(F)c1 ZINC001360852648 1065968002 /nfs/dbraw/zinc/96/80/02/1065968002.db2.gz KCCCYQTVQPUYFI-UHFFFAOYSA-N 0 0 455.433 4.532 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360853027 1065968294 /nfs/dbraw/zinc/96/82/94/1065968294.db2.gz ALBLQCWKFLWGLC-CVEARBPZSA-N 0 0 481.822 4.782 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001360853094 1065968586 /nfs/dbraw/zinc/96/85/86/1065968586.db2.gz CFTFZZAGMIOCEF-OAHLLOKOSA-N 0 0 469.786 4.696 20 0 JJADRN O=C([C@@H]1CCN(c2ccccc2Cl)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440708921 1065968701 /nfs/dbraw/zinc/96/87/01/1065968701.db2.gz IQHJLALADAVKAN-GOSISDBHSA-N 0 0 451.920 4.530 20 0 JJADRN CCOc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)OC)c2c[nH]c3ccccc32)cc1OC ZINC001440709725 1065969163 /nfs/dbraw/zinc/96/91/63/1065969163.db2.gz KSSSBGNNCBVZOV-BDTNDASRSA-N 0 0 478.589 4.803 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)CCOc1ccccc1C ZINC001440710655 1065969581 /nfs/dbraw/zinc/96/95/81/1065969581.db2.gz DYJAJLLSWJIDLP-UHFFFAOYSA-N 0 0 456.384 4.770 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N(C)CCOc2ccccc2C)[C@@H]1c1ccc(OC)cc1 ZINC001440710984 1065969707 /nfs/dbraw/zinc/96/97/07/1065969707.db2.gz HUFNVEHAVFJJDM-BVAGGSTKSA-N 0 0 452.595 4.621 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 ZINC001360853548 1065969873 /nfs/dbraw/zinc/96/98/73/1065969873.db2.gz GUGKYEJETIPKPU-UHFFFAOYSA-N 0 0 475.765 4.683 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001360853559 1065970348 /nfs/dbraw/zinc/97/03/48/1065970348.db2.gz HABAZGOOPVHVLZ-YADARESESA-N 0 0 473.459 4.884 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCc3ccccc3)n2CCCOC(F)F)CC1 ZINC001360853586 1065970352 /nfs/dbraw/zinc/97/03/52/1065970352.db2.gz IDYLYPZMQIKSAF-UHFFFAOYSA-N 0 0 455.347 4.572 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C)c2ccc(F)cc2)n1 ZINC001360853592 1065970369 /nfs/dbraw/zinc/97/03/69/1065970369.db2.gz IEZXXHFISDEBFA-MRXNPFEDSA-N 0 0 487.421 4.962 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC001440714360 1065970528 /nfs/dbraw/zinc/97/05/28/1065970528.db2.gz WMQXYOZMCQCBPH-WXYTYNPNSA-N 0 0 461.653 4.898 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001360853670 1065970675 /nfs/dbraw/zinc/97/06/75/1065970675.db2.gz NAXSIZJCLZJYTN-WMZOPIPTSA-N 0 0 498.466 4.654 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)C)n2Cc2ccccc2-n2cccn2)CC1 ZINC001360853850 1065971295 /nfs/dbraw/zinc/97/12/95/1065971295.db2.gz LJDSBZWDFKVGTG-UHFFFAOYSA-N 0 0 455.404 4.590 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCSC2)CC1 ZINC001360853885 1065971722 /nfs/dbraw/zinc/97/17/22/1065971722.db2.gz MBVCICWJQBEXLW-MRXNPFEDSA-N 0 0 453.475 4.953 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001360853985 1065972069 /nfs/dbraw/zinc/97/20/69/1065972069.db2.gz OIGZFYSZJVNUDM-QZTJIDSGSA-N 0 0 463.395 4.917 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCc3ccccc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360853949 1065972243 /nfs/dbraw/zinc/97/22/43/1065972243.db2.gz NHLBKUQUWKXWSQ-FQEVSTJZSA-N 0 0 459.432 4.757 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](C)Oc2ccccc2)cs1 ZINC001360854178 1065972673 /nfs/dbraw/zinc/97/26/73/1065972673.db2.gz RTDAGPICEKFEKS-MRXNPFEDSA-N 0 0 488.455 4.980 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccsc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360854161 1065972689 /nfs/dbraw/zinc/97/26/89/1065972689.db2.gz RHNUVXSAIBOFPF-UHFFFAOYSA-N 0 0 475.460 4.795 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001360854339 1065973118 /nfs/dbraw/zinc/97/31/18/1065973118.db2.gz UPZPEQFTZKRVIN-AOMKIAJQSA-N 0 0 479.850 4.952 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 ZINC001360854222 1065973257 /nfs/dbraw/zinc/97/32/57/1065973257.db2.gz STIFDYALXQPMQB-UHFFFAOYSA-N 0 0 476.419 4.895 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001360854346 1065973479 /nfs/dbraw/zinc/97/34/79/1065973479.db2.gz UPZPEQFTZKRVIN-ZHRRBRCNSA-N 0 0 479.850 4.952 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)C)n2C[C@H](C)N2CCc3ccccc32)CC1 ZINC001360854355 1065973713 /nfs/dbraw/zinc/97/37/13/1065973713.db2.gz USPCQFKMFAARHE-SFHVURJKSA-N 0 0 458.448 4.807 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001360854506 1065973969 /nfs/dbraw/zinc/97/39/69/1065973969.db2.gz XJBSQXMPRBZCDM-UHFFFAOYSA-N 0 0 480.451 4.509 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440742451 1065974305 /nfs/dbraw/zinc/97/43/05/1065974305.db2.gz PNKNNSMKVXLUBG-JOCHJYFZSA-N 0 0 458.002 4.932 20 0 JJADRN COc1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1OCC(F)(F)F ZINC001440741175 1065974405 /nfs/dbraw/zinc/97/44/05/1065974405.db2.gz WNMXVHGOJNATKQ-UHFFFAOYSA-N 0 0 453.335 4.595 20 0 JJADRN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)C1(C)C ZINC001360854706 1065974558 /nfs/dbraw/zinc/97/45/58/1065974558.db2.gz CBODNRVCVUIDPD-NQIIRXRSSA-N 0 0 451.361 4.600 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1[nH]c2ccccc2c1Br ZINC001545935492 1065974909 /nfs/dbraw/zinc/97/49/09/1065974909.db2.gz KFJCJIJSDIPIQL-UHFFFAOYSA-N 0 0 456.262 4.932 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001360857602 1065975668 /nfs/dbraw/zinc/97/56/68/1065975668.db2.gz FXKDJNHETLAZSA-UHFFFAOYSA-N 0 0 467.383 4.690 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360857600 1065975751 /nfs/dbraw/zinc/97/57/51/1065975751.db2.gz FXGXWBPSQPCPEB-NRFANRHFSA-N 0 0 481.822 4.959 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(I)cc2O)cc1 ZINC001440752524 1065975867 /nfs/dbraw/zinc/97/58/67/1065975867.db2.gz DXIXAWGRTRIWCT-GOSISDBHSA-N 0 0 451.304 4.763 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(Br)C3)n2Cc2nccs2)c1 ZINC001360857812 1065976009 /nfs/dbraw/zinc/97/60/09/1065976009.db2.gz NTNOLQRPYMQOQP-UHFFFAOYSA-N 0 0 474.428 4.858 20 0 JJADRN CCn1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c2ccccc21 ZINC001440754659 1065976652 /nfs/dbraw/zinc/97/66/52/1065976652.db2.gz SHMFXTUCLSZEFQ-UHFFFAOYSA-N 0 0 452.507 4.845 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2CCc2ccccc2Cl)n1 ZINC001360857964 1065977063 /nfs/dbraw/zinc/97/70/63/1065977063.db2.gz SINLAIPANCYHSL-UHFFFAOYSA-N 0 0 489.849 4.915 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC001440758039 1065977143 /nfs/dbraw/zinc/97/71/43/1065977143.db2.gz WBZLAMKHGIJCDC-QHCPKHFHSA-N 0 0 455.396 4.856 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccs2)CC1 ZINC001360858081 1065977305 /nfs/dbraw/zinc/97/73/05/1065977305.db2.gz YDRVNYMPUZYROC-RHSMWYFYSA-N 0 0 466.449 4.581 20 0 JJADRN C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC001440768840 1065977917 /nfs/dbraw/zinc/97/79/17/1065977917.db2.gz HVXZBKFOOZXKKF-DEOSSOPVSA-N 0 0 454.571 4.683 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)C1 ZINC001360858582 1065978166 /nfs/dbraw/zinc/97/81/66/1065978166.db2.gz OXZRPZSQDXIUGH-MRXNPFEDSA-N 0 0 486.414 4.665 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(C)(C)C ZINC001360858714 1065978190 /nfs/dbraw/zinc/97/81/90/1065978190.db2.gz TXRWSBULAXHWDY-GOSISDBHSA-N 0 0 471.577 4.761 20 0 JJADRN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)NCC2(c3ccccc3)CCCCC2)cc1OC ZINC001440774816 1065978425 /nfs/dbraw/zinc/97/84/25/1065978425.db2.gz XURDCULOHRQVNM-QUCCMNQESA-N 0 0 450.579 4.930 20 0 JJADRN C[C@H](CNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)Oc1ccc(Cl)cc1 ZINC001360858933 1065978579 /nfs/dbraw/zinc/97/85/79/1065978579.db2.gz BJBGRMGSNKZYOL-LLVKDONJSA-N 0 0 459.255 4.790 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001440776938 1065978992 /nfs/dbraw/zinc/97/89/92/1065978992.db2.gz BFGRTZPZAVOPCC-ROUUACIJSA-N 0 0 457.640 4.741 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360861618 1065979289 /nfs/dbraw/zinc/97/92/89/1065979289.db2.gz OLPSXJXMZDMLEE-SFHVURJKSA-N 0 0 455.578 4.925 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001360861318 1065979444 /nfs/dbraw/zinc/97/94/44/1065979444.db2.gz GACLUCBGLOADHB-UHFFFAOYSA-N 0 0 470.017 4.804 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001360861461 1065979480 /nfs/dbraw/zinc/97/94/80/1065979480.db2.gz JUOSGWYWAXLXMQ-UHFFFAOYSA-N 0 0 464.035 4.940 20 0 JJADRN Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000027180747 1065979510 /nfs/dbraw/zinc/97/95/10/1065979510.db2.gz NVYGIWVKAXMLMU-OAHLLOKOSA-N 0 0 458.534 4.672 20 0 JJADRN CCC(CC)[C@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)N1CCOCC1 ZINC001440796244 1065979780 /nfs/dbraw/zinc/97/97/80/1065979780.db2.gz INHWNXUVJJVLOA-KKSFZXQISA-N 0 0 450.048 4.622 20 0 JJADRN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)c1 ZINC001440819204 1065980850 /nfs/dbraw/zinc/98/08/50/1065980850.db2.gz XQEZCBUWFWBPEB-UHFFFAOYSA-N 0 0 450.926 4.869 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360862525 1065980704 /nfs/dbraw/zinc/98/07/04/1065980704.db2.gz SGSBYRVKEPTGIT-UHFFFAOYSA-N 0 0 481.563 4.901 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(N(Cc2cccs2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001360862626 1065981533 /nfs/dbraw/zinc/98/15/33/1065981533.db2.gz UOXUNFPLPKIKPN-IBGZPJMESA-N 0 0 485.654 4.544 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC001440820182 1065981620 /nfs/dbraw/zinc/98/16/20/1065981620.db2.gz UYJMBHWYHKQCPO-HMJCTCJJSA-N 0 0 450.410 4.552 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCCC2(F)F)c1C ZINC001360862839 1065981872 /nfs/dbraw/zinc/98/18/72/1065981872.db2.gz YDCBVEKEOMBVJF-IBGZPJMESA-N 0 0 468.552 4.857 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC001360862991 1065981934 /nfs/dbraw/zinc/98/19/34/1065981934.db2.gz IFWDTJJKPSODQT-HRNNMHKYSA-N 0 0 450.623 4.900 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1)c1ccccc1 ZINC001360863477 1065982271 /nfs/dbraw/zinc/98/22/71/1065982271.db2.gz ULACCKCSJJTRFR-MSYCTHLASA-N 0 0 452.576 4.933 20 0 JJADRN NC(=O)Nc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC001440828413 1065982336 /nfs/dbraw/zinc/98/23/36/1065982336.db2.gz ABXMQYWBQWPOHJ-UHFFFAOYSA-N 0 0 457.334 4.653 20 0 JJADRN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001440834700 1065982917 /nfs/dbraw/zinc/98/29/17/1065982917.db2.gz MLROOXADOGTFPA-UHFFFAOYSA-N 0 0 450.898 4.907 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1C ZINC001360865144 1065983700 /nfs/dbraw/zinc/98/37/00/1065983700.db2.gz SOMOKKBFUKIVBZ-RQTOMXEWSA-N 0 0 497.684 4.705 20 0 JJADRN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C)nc4C(C)C)CC3)cs2)cc1 ZINC001440862239 1065984053 /nfs/dbraw/zinc/98/40/53/1065984053.db2.gz JLYPBGGVJWFFCU-UHFFFAOYSA-N 0 0 450.608 4.604 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CCSC2)c1C ZINC001360865403 1065984108 /nfs/dbraw/zinc/98/41/08/1065984108.db2.gz ARUXQLMHPFYOTC-MHECFPHRSA-N 0 0 488.057 4.588 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CC[C@H](CO)O2)c1C ZINC001360865612 1065985235 /nfs/dbraw/zinc/98/52/35/1065985235.db2.gz FQKXUPVNTWJJMP-CEXWTWQISA-N 0 0 491.057 4.926 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CCCN2CCCCCC2=O)c1C ZINC001360865701 1065985584 /nfs/dbraw/zinc/98/55/84/1065985584.db2.gz HDNBBJNLVWZSMD-LJQANCHMSA-N 0 0 481.563 4.826 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCOCC1 ZINC001360865952 1065986574 /nfs/dbraw/zinc/98/65/74/1065986574.db2.gz KNFHJZPEWBBUSX-QFIPXVFZSA-N 0 0 480.657 4.838 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3sc(-c4ccc(C)cc4F)nc3C)CC2)cc1 ZINC001440872272 1065986954 /nfs/dbraw/zinc/98/69/54/1065986954.db2.gz VYJCNRSFGLREGZ-UHFFFAOYSA-N 0 0 453.583 4.923 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 ZINC001360866122 1065987278 /nfs/dbraw/zinc/98/72/78/1065987278.db2.gz NDQVXQGLKWMGLA-IFMALSPDSA-N 0 0 468.671 4.962 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCC[C@@H]1C ZINC001360866141 1065987632 /nfs/dbraw/zinc/98/76/32/1065987632.db2.gz NHTHFYUVIZVCEU-CFESPSLPSA-N 0 0 480.657 4.573 20 0 JJADRN COc1ccccc1[C@H](NC(=O)Cc1cccc(OCc2ccccc2C)c1)c1nccn1C ZINC001440873916 1065987761 /nfs/dbraw/zinc/98/77/61/1065987761.db2.gz ODYWVDQZRBVRHG-MHZLTWQESA-N 0 0 455.558 4.764 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CSCCS2)c1C ZINC001360866187 1065988246 /nfs/dbraw/zinc/98/82/46/1065988246.db2.gz OCQDQDLMQGQPKL-JKSUJKDBSA-N 0 0 460.591 4.882 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2noc3c2CCCC3)c1C ZINC001360866384 1065988477 /nfs/dbraw/zinc/98/84/77/1065988477.db2.gz RVXZHHKGIXJKSK-MRXNPFEDSA-N 0 0 463.504 4.949 20 0 JJADRN CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C ZINC001440882674 1065988775 /nfs/dbraw/zinc/98/87/75/1065988775.db2.gz PUVQSCRMIQVLCL-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN Nc1ccc(I)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001440882806 1065989197 /nfs/dbraw/zinc/98/91/97/1065989197.db2.gz ZRGWQSLRZUKAJH-UHFFFAOYSA-N 0 0 456.327 4.759 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC3)n2CCCN(C)CC(F)(F)F)c1C ZINC001360866568 1065989272 /nfs/dbraw/zinc/98/92/72/1065989272.db2.gz VRWXLCHEUWAJNY-SFHVURJKSA-N 0 0 453.553 4.908 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccoc1C ZINC001360866598 1065989364 /nfs/dbraw/zinc/98/93/64/1065989364.db2.gz WDNSFUOSKODHDW-SFHVURJKSA-N 0 0 452.584 4.781 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CC=CCC2)c1C ZINC001360866639 1065989668 /nfs/dbraw/zinc/98/96/68/1065989668.db2.gz WRJPDOWJIGEDCU-SFTDATJTSA-N 0 0 453.631 4.742 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C3CCC(C)CC3)n2CCC(=O)NC(C)C)c1C ZINC001360866682 1065989679 /nfs/dbraw/zinc/98/96/79/1065989679.db2.gz XIYOYCYNMRLLHR-NFOQDIRWSA-N 0 0 455.647 4.965 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CC=CCC2)c1C ZINC001360866638 1065989738 /nfs/dbraw/zinc/98/97/38/1065989738.db2.gz WRJPDOWJIGEDCU-RTWAWAEBSA-N 0 0 453.631 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCC(=O)NC(C)C)c1C ZINC001360866654 1065989770 /nfs/dbraw/zinc/98/97/70/1065989770.db2.gz WXHZDOQWQZVXDU-PMACEKPBSA-N 0 0 453.587 4.740 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001440884448 1065989793 /nfs/dbraw/zinc/98/97/93/1065989793.db2.gz ZZXQZVFUXKFDOP-GOSISDBHSA-N 0 0 454.741 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCO[C@@H]1CCCC[C@H]1C ZINC001545936457 1065989982 /nfs/dbraw/zinc/98/99/82/1065989982.db2.gz LVSGGWATCOMOEP-FYYLOGMGSA-N 0 0 489.705 4.721 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCC1 ZINC001360866718 1065990295 /nfs/dbraw/zinc/99/02/95/1065990295.db2.gz XZPYZWXZFGFVMW-IBGZPJMESA-N 0 0 455.628 4.741 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001545936556 1065990259 /nfs/dbraw/zinc/99/02/59/1065990259.db2.gz OIENZPBYQCSVCD-OFNKIYASSA-N 0 0 467.658 4.562 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1(c2ccccc2Br)CCCCC1 ZINC001440891834 1065990868 /nfs/dbraw/zinc/99/08/68/1065990868.db2.gz FTXZZDNBCHUOMF-UHFFFAOYSA-N 0 0 459.384 4.665 20 0 JJADRN Cc1c(NC(=O)c2ccc(Cl)cc2Br)cccc1S(=O)(=O)NC(C)(C)C ZINC001360867876 1065990872 /nfs/dbraw/zinc/99/08/72/1065990872.db2.gz JXIFUPHQRUHZJB-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC001360867954 1065991275 /nfs/dbraw/zinc/99/12/75/1065991275.db2.gz NLWVYMHTFNUIQN-XMMPIXPASA-N 0 0 457.640 4.606 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360868322 1065991629 /nfs/dbraw/zinc/99/16/29/1065991629.db2.gz BBTPTQZGWDNZFV-KBMIEXCESA-N 0 0 481.622 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2cccc(NC(N)=O)c2)CC1 ZINC001440897265 1065991543 /nfs/dbraw/zinc/99/15/43/1065991543.db2.gz GCUHLWLFEYARGM-UHFFFAOYSA-N 0 0 452.555 4.619 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2ncsc2Br)c2c[nH]c3ccccc32)cc1 ZINC001440895087 1065991586 /nfs/dbraw/zinc/99/15/86/1065991586.db2.gz OYIFDCBJVOSASF-MRXNPFEDSA-N 0 0 456.365 4.957 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360868323 1065991812 /nfs/dbraw/zinc/99/18/12/1065991812.db2.gz BBTPTQZGWDNZFV-UQBPGWFLSA-N 0 0 481.622 4.671 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCCO3)n2Cc2ccc(F)cn2)c1C ZINC001360868412 1065992222 /nfs/dbraw/zinc/99/22/22/1065992222.db2.gz DNFDJLMIRJGCIO-SIKLNZKXSA-N 0 0 453.562 4.623 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3nccs3)n2CC[C@H]2CCOC2)c1C ZINC001360868442 1065992233 /nfs/dbraw/zinc/99/22/33/1065992233.db2.gz FGWBEHYFVBNZCV-PMACEKPBSA-N 0 0 455.628 4.597 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2CC[C@H]2CCOC2)c1C ZINC001360868443 1065992304 /nfs/dbraw/zinc/99/23/04/1065992304.db2.gz FGWBEHYFVBNZCV-UXHICEINSA-N 0 0 455.628 4.597 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001440900527 1065992915 /nfs/dbraw/zinc/99/29/15/1065992915.db2.gz QVDFXDGGMPGKEV-XMMPIXPASA-N 0 0 456.543 4.577 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(C)n1C[C@@H]1CCCOC1 ZINC001440902191 1065992945 /nfs/dbraw/zinc/99/29/45/1065992945.db2.gz VONQIPFTAQKITF-IBGZPJMESA-N 0 0 450.539 4.699 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC001440900444 1065992974 /nfs/dbraw/zinc/99/29/74/1065992974.db2.gz QIDODNIXHOHJEI-UHFFFAOYSA-N 0 0 457.328 4.682 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)CSCc1cn2cc(C)ccc2n1 ZINC001440901542 1065992984 /nfs/dbraw/zinc/99/29/84/1065992984.db2.gz WYWVKFRETLKHEG-UHFFFAOYSA-N 0 0 454.777 4.939 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360868705 1065993345 /nfs/dbraw/zinc/99/33/45/1065993345.db2.gz AOVMQCIPTCGMOV-NHCUHLMSSA-N 0 0 453.631 4.563 20 0 JJADRN Cc1ncc(-c2ccc(NC(=O)C3([C@@]4(O)CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)o1 ZINC001440920603 1065993902 /nfs/dbraw/zinc/99/39/02/1065993902.db2.gz NMISCELOQFJJGC-RUZDIDTESA-N 0 0 455.555 4.521 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360868756 1065993923 /nfs/dbraw/zinc/99/39/23/1065993923.db2.gz BMPVJNCKRBBPBC-IFMALSPDSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360868711 1065993962 /nfs/dbraw/zinc/99/39/62/1065993962.db2.gz ARNMVIGLVPOUMB-XYJFISCASA-N 0 0 456.541 4.903 20 0 JJADRN Cc1cccc(NC(=O)CN(C)C(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1C ZINC001440922645 1065994228 /nfs/dbraw/zinc/99/42/28/1065994228.db2.gz PUITWJBSAXRNBV-UHFFFAOYSA-N 0 0 455.967 4.981 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360868824 1065994400 /nfs/dbraw/zinc/99/44/00/1065994400.db2.gz BUBYOLHNAZNSBR-RZUBCFFCSA-N 0 0 456.631 4.855 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440923185 1065994486 /nfs/dbraw/zinc/99/44/86/1065994486.db2.gz PZNBWEWAWGONBM-ZHZULCJRSA-N 0 0 453.951 4.607 20 0 JJADRN C[C@H](C(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C)[C@@H](C)S(C)(=O)=O ZINC001440925088 1065994867 /nfs/dbraw/zinc/99/48/67/1065994867.db2.gz STUCXANYYAVULQ-WFXMFSGNSA-N 0 0 459.011 4.926 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc1OC(F)F ZINC001440926605 1065994968 /nfs/dbraw/zinc/99/49/68/1065994968.db2.gz NQSUEJMUZHMRBY-MRXNPFEDSA-N 0 0 458.546 4.927 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCCCOc3ccc(F)cc3)c2)c1 ZINC001440928669 1065995324 /nfs/dbraw/zinc/99/53/24/1065995324.db2.gz NWIHHVURFDIOCC-UHFFFAOYSA-N 0 0 456.539 4.524 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)cc1 ZINC001440937459 1065995879 /nfs/dbraw/zinc/99/58/79/1065995879.db2.gz HLCSVIYCUXQYSJ-UHFFFAOYSA-N 0 0 459.518 4.864 20 0 JJADRN CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C(C)C)cc1 ZINC001440947490 1065996197 /nfs/dbraw/zinc/99/61/97/1065996197.db2.gz SCHNBPVUEDMFFE-XDHUDOTRSA-N 0 0 458.624 4.777 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ccccc3SCC(F)(F)F)c2C1 ZINC001440949194 1065996342 /nfs/dbraw/zinc/99/63/42/1065996342.db2.gz WEAHZCBBYKZLBM-UHFFFAOYSA-N 0 0 456.490 4.610 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001440947273 1065996375 /nfs/dbraw/zinc/99/63/75/1065996375.db2.gz RHSBWQLQJFYSNM-QHCPKHFHSA-N 0 0 458.558 4.661 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCO[C@H]2CCOC2)c1C ZINC001360869102 1065996556 /nfs/dbraw/zinc/99/65/56/1065996556.db2.gz FAHGUEPYTLJDIT-ZLNRFVROSA-N 0 0 456.631 4.713 20 0 JJADRN O=C(CN(Cc1ccco1)C(=O)C[C@H]1CCCC1(F)F)Nc1ccccc1Br 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PGUGXNFXBUXYIJ-MJGOQNOKSA-N 0 0 451.596 4.560 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2(O)CCC2)c1C ZINC001360870949 1066004343 /nfs/dbraw/zinc/00/43/43/1066004343.db2.gz REQBMIJKFDOZOF-QGZVFWFLSA-N 0 0 450.505 4.649 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2Cc2ccn(C)n2)c1C ZINC001360871038 1066004769 /nfs/dbraw/zinc/00/47/69/1066004769.db2.gz SQROPPYBGQYGLN-QGZVFWFLSA-N 0 0 460.504 4.516 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1(C)C ZINC001441062830 1066005312 /nfs/dbraw/zinc/00/53/12/1066005312.db2.gz CRJPUJBPNSKZEL-KFOHMRLHSA-N 0 0 456.530 4.564 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC001441074710 1066005980 /nfs/dbraw/zinc/00/59/80/1066005980.db2.gz ODDCHPQXWQBYIE-UHFFFAOYSA-N 0 0 457.958 4.675 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001441077749 1066006163 /nfs/dbraw/zinc/00/61/63/1066006163.db2.gz MAAZCBXDWISMGB-FQEVSTJZSA-N 0 0 451.281 4.913 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CS(=O)(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1Cl ZINC001441092674 1066006932 /nfs/dbraw/zinc/00/69/32/1066006932.db2.gz UMEPSIAWRFFVLO-UHFFFAOYSA-N 0 0 459.774 4.941 20 0 JJADRN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001441098839 1066007507 /nfs/dbraw/zinc/00/75/07/1066007507.db2.gz KFZGSRMQFQNUSE-JOCHJYFZSA-N 0 0 450.441 4.566 20 0 JJADRN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001441099280 1066007609 /nfs/dbraw/zinc/00/76/09/1066007609.db2.gz PYVBFGVPGVSPOD-UHFFFAOYSA-N 0 0 458.331 4.956 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2(C)CCC2)c1C ZINC001360872902 1066007689 /nfs/dbraw/zinc/00/76/89/1066007689.db2.gz CCEMEHBDWTZNLC-OAQYLSRUSA-N 0 0 467.658 4.966 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCc2ccccn2)c1C ZINC001360873068 1066007912 /nfs/dbraw/zinc/00/79/12/1066007912.db2.gz DXHGYPXVJNEJOT-IBGZPJMESA-N 0 0 489.542 4.566 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360873020 1066007923 /nfs/dbraw/zinc/00/79/23/1066007923.db2.gz DOGWCFWKCNXGID-LWYYNNOASA-N 0 0 473.593 4.669 20 0 JJADRN COc1ccc(/C=C\C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC001441109257 1066008476 /nfs/dbraw/zinc/00/84/76/1066008476.db2.gz OIQAYUSBPOATCQ-KAMYIIQDSA-N 0 0 451.950 4.962 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2Cc2ccoc2)c1C ZINC001360873427 1066008892 /nfs/dbraw/zinc/00/88/92/1066008892.db2.gz FCGYCMDJZROFNU-LJQANCHMSA-N 0 0 477.531 4.751 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC4(C3)CCOCC4)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873433 1066008968 /nfs/dbraw/zinc/00/89/68/1066008968.db2.gz FGMQWLDUMACPCA-OAQYLSRUSA-N 0 0 499.656 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001441119565 1066009155 /nfs/dbraw/zinc/00/91/55/1066009155.db2.gz ZGQYIUAIJAEAJK-NRFANRHFSA-N 0 0 452.486 4.558 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC001441131548 1066010186 /nfs/dbraw/zinc/01/01/86/1066010186.db2.gz PTYUWCJWVWERKB-UHFFFAOYSA-N 0 0 459.424 4.765 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2Cc2cccnc2OCC(F)F)c1C ZINC001360873704 1066010311 /nfs/dbraw/zinc/01/03/11/1066010311.db2.gz JSFPHTVMEFMMIE-KRWDZBQOSA-N 0 0 493.505 4.968 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC001441169880 1066010890 /nfs/dbraw/zinc/01/08/90/1066010890.db2.gz BDBBOKYNZNEMAA-UHFFFAOYSA-N 0 0 458.183 4.723 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001441156568 1066010922 /nfs/dbraw/zinc/01/09/22/1066010922.db2.gz ZCADKIZTTQMKOW-NRSPTQNISA-N 0 0 451.007 4.883 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC001441171516 1066011034 /nfs/dbraw/zinc/01/10/34/1066011034.db2.gz JPOHJVWWBDARQS-UHFFFAOYSA-N 0 0 452.938 4.805 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360873946 1066011520 /nfs/dbraw/zinc/01/15/20/1066011520.db2.gz LPALRDWHAMZYOT-NJYVYQBISA-N 0 0 478.584 4.710 20 0 JJADRN CCN(CC)C(=O)c1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC001441174764 1066011698 /nfs/dbraw/zinc/01/16/98/1066011698.db2.gz TUYQAWWADNCMOY-JOCHJYFZSA-N 0 0 459.631 4.649 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCCC(C)(C)C)c1C ZINC001360874205 1066012198 /nfs/dbraw/zinc/01/21/98/1066012198.db2.gz KTIGEIHCOLFKRD-HLAWJBBLSA-N 0 0 456.587 4.975 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCCOC2)c1C ZINC001360874215 1066012207 /nfs/dbraw/zinc/01/22/07/1066012207.db2.gz KWRLBSYRELZESA-NHCUHLMSSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360874211 1066012271 /nfs/dbraw/zinc/01/22/71/1066012271.db2.gz KVICNIJUVKFQIB-WWPVKYPJSA-N 0 0 456.631 4.857 20 0 JJADRN CC(C)(C)Cc1ncc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC001441183035 1066012533 /nfs/dbraw/zinc/01/25/33/1066012533.db2.gz MULLLIRSGJCABV-ZDUSSCGKSA-N 0 0 451.518 4.813 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]3c3nncn3C)n2CCSC(C)C)c1C ZINC001360874222 1066012646 /nfs/dbraw/zinc/01/26/46/1066012646.db2.gz KXVICWMLNFXPQM-PMACEKPBSA-N 0 0 469.659 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874365 1066013100 /nfs/dbraw/zinc/01/31/00/1066013100.db2.gz LUBVZIJJLLDUJH-YADHBBJMSA-N 0 0 465.646 4.669 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360874311 1066013179 /nfs/dbraw/zinc/01/31/79/1066013179.db2.gz ODWFMUSOMPAIPB-MRXNPFEDSA-N 0 0 488.501 4.974 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](CC(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360874578 1066014320 /nfs/dbraw/zinc/01/43/20/1066014320.db2.gz RNLUVODZLHUKAO-FCHUYYIVSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](CC(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360874579 1066014340 /nfs/dbraw/zinc/01/43/40/1066014340.db2.gz RNLUVODZLHUKAO-FGZHOGPDSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC(C)(C)C3)n2CCN2CCOC(C)(C)C2)c1C ZINC001360874603 1066014536 /nfs/dbraw/zinc/01/45/36/1066014536.db2.gz NMFLRUIPPYMTAF-QFIPXVFZSA-N 0 0 469.674 4.772 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874731 1066015088 /nfs/dbraw/zinc/01/50/88/1066015088.db2.gz OENHJXUBEOXPJW-JTHBVZDNSA-N 0 0 495.672 4.580 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCOC(C)C)c1C ZINC001360874878 1066015499 /nfs/dbraw/zinc/01/54/99/1066015499.db2.gz OVTQWIYHQGXFKL-RBBKRZOGSA-N 0 0 452.603 4.535 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1cc2cccnc2cc1Br ZINC001545939281 1066015787 /nfs/dbraw/zinc/01/57/87/1066015787.db2.gz WVKLSAMBHUKAFV-LJQANCHMSA-N 0 0 452.274 4.507 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CC[C@H](C(F)F)N2CCOCC2)c1C ZINC001360875075 1066016442 /nfs/dbraw/zinc/01/64/42/1066016442.db2.gz PTFOJNGZRZAEPJ-NHCUHLMSSA-N 0 0 491.627 4.770 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCOCCCO)c1C ZINC001360875516 1066018175 /nfs/dbraw/zinc/01/81/75/1066018175.db2.gz UPZKTODAVZSBHX-NRFANRHFSA-N 0 0 492.611 4.840 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1C ZINC001360875548 1066018237 /nfs/dbraw/zinc/01/82/37/1066018237.db2.gz VHULAMWGQVYAKC-FCHUYYIVSA-N 0 0 485.673 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCC(C)(F)F)c1C ZINC001360875539 1066018246 /nfs/dbraw/zinc/01/82/46/1066018246.db2.gz VDXJZXDFIIQUGA-LJQANCHMSA-N 0 0 475.584 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545939652 1066018486 /nfs/dbraw/zinc/01/84/86/1066018486.db2.gz HKVPLOZXHBOPEE-XXBNENTESA-N 0 0 465.708 4.656 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360875743 1066019128 /nfs/dbraw/zinc/01/91/28/1066019128.db2.gz YFHRAJHCHKWYSH-NHCUHLMSSA-N 0 0 465.598 4.742 20 0 JJADRN Nc1cc(Br)ccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441241459 1066019195 /nfs/dbraw/zinc/01/91/95/1066019195.db2.gz NUXYIXKPKPWDCK-MRXNPFEDSA-N 0 0 457.155 4.581 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@]2(O)CCCC2(C)C)c1C ZINC001360875799 1066019481 /nfs/dbraw/zinc/01/94/81/1066019481.db2.gz ZDFPNSQEDYTYTD-UTAZYMRLSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCn2cc(Br)cn2)c1C ZINC001360875805 1066019546 /nfs/dbraw/zinc/01/95/46/1066019546.db2.gz ZHMJKVGELDOAFW-VQIMIIECSA-N 0 0 487.446 4.930 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCn2cc(Br)cn2)c1C ZINC001360875802 1066019604 /nfs/dbraw/zinc/01/96/04/1066019604.db2.gz ZHMJKVGELDOAFW-APWZRJJASA-N 0 0 487.446 4.930 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360875820 1066019688 /nfs/dbraw/zinc/01/96/88/1066019688.db2.gz ZLDNQBXKLTVHEC-LOYIFYEOSA-N 0 0 480.657 4.559 20 0 JJADRN CC[C@@H](NC(=O)c1c(F)cccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876175 1066019996 /nfs/dbraw/zinc/01/99/96/1066019996.db2.gz JXDVWXWIFFKHEN-SECBINFHSA-N 0 0 458.218 4.787 20 0 JJADRN CC[C@H](NC(=O)c1c(F)cccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876176 1066020022 /nfs/dbraw/zinc/02/00/22/1066020022.db2.gz JXDVWXWIFFKHEN-VIFPVBQESA-N 0 0 458.218 4.787 20 0 JJADRN COc1ccc(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)cc1NC(=O)OC(C)(C)C ZINC001441249763 1066020687 /nfs/dbraw/zinc/02/06/87/1066020687.db2.gz WZLQEWARQZZSMS-QFIPXVFZSA-N 0 0 450.532 4.663 20 0 JJADRN CC[C@@H]1CCCN(C(=O)[C@@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001441250856 1066020748 /nfs/dbraw/zinc/02/07/48/1066020748.db2.gz UWVLYUMGMLJVRK-KBMIEXCESA-N 0 0 450.579 4.579 20 0 JJADRN COc1c(C)ccc(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c1C ZINC001441251772 1066020935 /nfs/dbraw/zinc/02/09/35/1066020935.db2.gz QORJZZKTFAQPMK-AWEZNQCLSA-N 0 0 451.308 4.968 20 0 JJADRN Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cs1 ZINC001441255833 1066021249 /nfs/dbraw/zinc/02/12/49/1066021249.db2.gz OEYJCFGQJDUDJM-UHFFFAOYSA-N 0 0 459.493 4.736 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1OCc1cccnc1 ZINC001441271503 1066021784 /nfs/dbraw/zinc/02/17/84/1066021784.db2.gz BCEVIEIZFWODAI-KDURUIRLSA-N 0 0 455.555 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1Cc1cccc(C(C)(C)O)c1 ZINC001545939795 1066021823 /nfs/dbraw/zinc/02/18/23/1066021823.db2.gz KQVWIQNHCYMNHQ-UHFFFAOYSA-N 0 0 487.714 4.584 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CCOC(C)C)CC3)n2CC2CC(F)(F)C2)c1C ZINC001360877086 1066022151 /nfs/dbraw/zinc/02/21/51/1066022151.db2.gz HPRSTWJTPKXYEZ-OAQYLSRUSA-N 0 0 491.627 4.627 20 0 JJADRN Cc1cc2scc(CC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)c2s1 ZINC001441280467 1066022212 /nfs/dbraw/zinc/02/22/12/1066022212.db2.gz PSVZFOCGGYMTNG-UHFFFAOYSA-N 0 0 452.523 4.817 20 0 JJADRN COc1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)cc1OCc1cccnc1 ZINC001441276699 1066022224 /nfs/dbraw/zinc/02/22/24/1066022224.db2.gz ISSPGJVDXYMPQT-UHFFFAOYSA-N 0 0 453.296 4.560 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCNC(=O)C(C)(C)C)c1C ZINC001360877169 1066022531 /nfs/dbraw/zinc/02/25/31/1066022531.db2.gz JFMVUVNRTGRDRL-HBMCJLEFSA-N 0 0 453.631 4.576 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C)CC2)c1C ZINC001360877155 1066022556 /nfs/dbraw/zinc/02/25/56/1066022556.db2.gz IWKATQQFTYFMER-GOSISDBHSA-N 0 0 451.537 4.519 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360877282 1066022668 /nfs/dbraw/zinc/02/26/68/1066022668.db2.gz KBHYBJGXIIRSKJ-FGTMMUONSA-N 0 0 487.517 4.588 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC2CCOCC2)c1C ZINC001360877405 1066022996 /nfs/dbraw/zinc/02/29/96/1066022996.db2.gz LADJZZCDDUVGGB-QUCCMNQESA-N 0 0 495.590 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCC3(c4ccccc4)CCOCC3)sc2C1 ZINC001441295092 1066023123 /nfs/dbraw/zinc/02/31/23/1066023123.db2.gz NVCCOAVAAABGTR-UHFFFAOYSA-N 0 0 456.608 4.520 20 0 JJADRN CCOC(=O)COc1cccc(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1 ZINC001441291232 1066023430 /nfs/dbraw/zinc/02/34/30/1066023430.db2.gz CUFSFVQRKLNYFH-UHFFFAOYSA-N 0 0 453.564 4.668 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)C1 ZINC001441313909 1066024979 /nfs/dbraw/zinc/02/49/79/1066024979.db2.gz QOPCIDBTFMXXTN-JOCHJYFZSA-N 0 0 451.567 4.554 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)c1C ZINC001360878256 1066025396 /nfs/dbraw/zinc/02/53/96/1066025396.db2.gz SQAWLUPMONAIGB-HXUWFJFHSA-N 0 0 481.597 4.733 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)c2N1 ZINC001441313210 1066025513 /nfs/dbraw/zinc/02/55/13/1066025513.db2.gz CTAHLTDQHUBFMX-OAUYIBNBSA-N 0 0 473.902 4.550 20 0 JJADRN C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313013 1066025537 /nfs/dbraw/zinc/02/55/37/1066025537.db2.gz CCNXNCWGFDKJQO-BEFAXECRSA-N 0 0 453.986 4.520 20 0 JJADRN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001441316975 1066026116 /nfs/dbraw/zinc/02/61/16/1066026116.db2.gz WUVFATSYOVFPJG-UXHICEINSA-N 0 0 456.633 4.691 20 0 JJADRN Cc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC001360878333 1066026057 /nfs/dbraw/zinc/02/60/57/1066026057.db2.gz VRIKBRDXMWWTAJ-HXUWFJFHSA-N 0 0 453.004 4.767 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCCSC2)c1C ZINC001360878495 1066026313 /nfs/dbraw/zinc/02/63/13/1066026313.db2.gz VTPXXMVVZRHPPD-PMACEKPBSA-N 0 0 479.641 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360878624 1066026613 /nfs/dbraw/zinc/02/66/13/1066026613.db2.gz WWDRRFBABRHCQQ-PWRODBHTSA-N 0 0 489.611 4.917 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccnc(C(F)(F)F)c2)c1C ZINC001360878787 1066027472 /nfs/dbraw/zinc/02/74/72/1066027472.db2.gz AECOFKSUQXFDTQ-KPFFTGBYSA-N 0 0 489.542 4.704 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001441318276 1066027482 /nfs/dbraw/zinc/02/74/82/1066027482.db2.gz KCZHXDQQNGVTTQ-WIYYLYMNSA-N 0 0 450.888 4.842 20 0 JJADRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319796 1066027507 /nfs/dbraw/zinc/02/75/07/1066027507.db2.gz ZOJLGPKCUZEAFM-GJZGRUSLSA-N 0 0 458.584 4.861 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360878941 1066027693 /nfs/dbraw/zinc/02/76/93/1066027693.db2.gz CQMSHEYJOQXXEF-CTNGQTDRSA-N 0 0 485.698 4.625 20 0 JJADRN COc1cc(NC(=O)[C@H](CC(C)C)n2ccnc2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441321930 1066028004 /nfs/dbraw/zinc/02/80/04/1066028004.db2.gz LWFRUVDYDRISAB-UEXGIBASSA-N 0 0 456.587 4.529 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@H]3C)n2Cc2nccc(C(F)F)n2)c1C ZINC001360879084 1066028509 /nfs/dbraw/zinc/02/85/09/1066028509.db2.gz FUSXBDINTDPFGC-WBVHZDCISA-N 0 0 474.581 4.753 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CCCC2(C)C)c1C ZINC001360879177 1066029354 /nfs/dbraw/zinc/02/93/54/1066029354.db2.gz HPFFGCGSNSMTEP-DRMXPCRNSA-N 0 0 496.574 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNc2ccccn2)c1C ZINC001360879170 1066029447 /nfs/dbraw/zinc/02/94/47/1066029447.db2.gz HNARWKAEFAVOIP-FGZHOGPDSA-N 0 0 478.641 4.936 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCCOC(F)F)c1C ZINC001360879199 1066029632 /nfs/dbraw/zinc/02/96/32/1066029632.db2.gz HWPXFWZPIWPKRE-GHTZIAJQSA-N 0 0 476.524 4.835 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2CC(C)(C)NC(=O)OC(C)(C)C)c1C ZINC001360879260 1066029928 /nfs/dbraw/zinc/02/99/28/1066029928.db2.gz IUOOEOOJAZEXBK-UYAOXDASSA-N 0 0 487.645 4.563 20 0 JJADRN COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cn2)ccc1OCc1ccccc1Cl ZINC001545940461 1066030065 /nfs/dbraw/zinc/03/00/65/1066030065.db2.gz ASDIERRXIRUIBM-UHFFFAOYSA-N 0 0 451.910 4.702 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CCCC(C)C)c1C ZINC001360879390 1066030288 /nfs/dbraw/zinc/03/02/88/1066030288.db2.gz KMOIBQLCJSUVPX-WXVAWEFUSA-N 0 0 480.657 4.957 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2C[C@@H](C)c2nccs2)c1C ZINC001360879407 1066030433 /nfs/dbraw/zinc/03/04/33/1066030433.db2.gz KRROWGFIROWIMP-MJGOQNOKSA-N 0 0 455.628 4.910 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339087 1066030510 /nfs/dbraw/zinc/03/05/10/1066030510.db2.gz GNMVTQDQWQNZQT-PIGZYNQJSA-N 0 0 458.139 4.620 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360879495 1066030635 /nfs/dbraw/zinc/03/06/35/1066030635.db2.gz LSBNWYVXRSOYJQ-VQTJNVASSA-N 0 0 480.625 4.819 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCOc2ncccc2F)c1C ZINC001360879557 1066030733 /nfs/dbraw/zinc/03/07/33/1066030733.db2.gz MNJOLWNVQOMZQD-AQNXPRMDSA-N 0 0 485.629 4.978 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360879496 1066030742 /nfs/dbraw/zinc/03/07/42/1066030742.db2.gz LSBNWYVXRSOYJQ-WOJBJXKFSA-N 0 0 480.625 4.819 20 0 JJADRN CCOc1ccc([C@H](NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c2ccccc2)cc1 ZINC001441343901 1066031011 /nfs/dbraw/zinc/03/10/11/1066031011.db2.gz SAWXYTZEPBICAV-OLKYXYMISA-N 0 0 450.579 4.794 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCSC[C@H]3C)n2CCCN(C)CC(F)(F)F)c1C ZINC001360879711 1066031306 /nfs/dbraw/zinc/03/13/06/1066031306.db2.gz OXHDTVBONGURDP-MJGOQNOKSA-N 0 0 485.620 4.861 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1F ZINC001441347601 1066031349 /nfs/dbraw/zinc/03/13/49/1066031349.db2.gz MJXQOHHWWUXEHR-LGMDPLHJSA-N 0 0 454.523 4.986 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCc2cccnc2)c1C ZINC001360880004 1066031993 /nfs/dbraw/zinc/03/19/93/1066031993.db2.gz UGKWZLOZAUNLQV-ZJSXRUAMSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCSC(C)C)c1C ZINC001360880031 1066032049 /nfs/dbraw/zinc/03/20/49/1066032049.db2.gz UZBWTXVKNGALNH-AKIFATBCSA-N 0 0 474.671 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCc2ccc(Sc3ccccc3)cc2)C1 ZINC001545940632 1066032492 /nfs/dbraw/zinc/03/24/92/1066032492.db2.gz IODMVXLSIHTBAH-FQEVSTJZSA-N 0 0 456.608 4.870 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)c1C ZINC001360880164 1066032780 /nfs/dbraw/zinc/03/27/80/1066032780.db2.gz XCWVIPYCUOCIGM-VSKRKVRLSA-N 0 0 499.656 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC2(O)CCCCCC2)c1C ZINC001360880215 1066032883 /nfs/dbraw/zinc/03/28/83/1066032883.db2.gz XUXIMWBTAHSNMD-ISKFKSNPSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(C(C)C)nnc3N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2c1C ZINC001360880906 1066033634 /nfs/dbraw/zinc/03/36/34/1066033634.db2.gz DRZLWFJLXODOPD-QGZVFWFLSA-N 0 0 466.630 4.994 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)cn2)c1 ZINC001441357498 1066033643 /nfs/dbraw/zinc/03/36/43/1066033643.db2.gz IJGMVGCWOWDUAY-ZRZAMGCNSA-N 0 0 459.546 4.812 20 0 JJADRN O=C(c1cc2c(ccnc2Cl)s1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441360329 1066034031 /nfs/dbraw/zinc/03/40/31/1066034031.db2.gz NIPOVMBUGDCAIT-UHFFFAOYSA-N 0 0 454.766 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC001441359648 1066034123 /nfs/dbraw/zinc/03/41/23/1066034123.db2.gz SLQDFMJQPKVLEQ-LJQANCHMSA-N 0 0 452.448 4.823 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CC(C)C)nnc3N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2c1C ZINC001360882068 1066035255 /nfs/dbraw/zinc/03/52/55/1066035255.db2.gz WYEYAERKTBSMBY-HXUWFJFHSA-N 0 0 466.630 4.726 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1C ZINC001360881973 1066035345 /nfs/dbraw/zinc/03/53/45/1066035345.db2.gz TZYYBIPNGYOQIU-FYYLOGMGSA-N 0 0 451.615 4.755 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)n1 ZINC001441368712 1066035607 /nfs/dbraw/zinc/03/56/07/1066035607.db2.gz FTCLPAYISRUJDN-JOCHJYFZSA-N 0 0 456.631 4.723 20 0 JJADRN Cc1c(Cl)cccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001360882200 1066035732 /nfs/dbraw/zinc/03/57/32/1066035732.db2.gz AORIKHROPGGNKC-UHFFFAOYSA-N 0 0 450.988 4.619 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001360882276 1066035787 /nfs/dbraw/zinc/03/57/87/1066035787.db2.gz DKCVAWQEMMXKSP-KRWDZBQOSA-N 0 0 457.621 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C(C)(C)C1 ZINC001441369122 1066035963 /nfs/dbraw/zinc/03/59/63/1066035963.db2.gz JLLHXBGLJJXWLR-GFCCVEGCSA-N 0 0 450.429 4.721 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC2CCCCC2)CC1 ZINC001360882830 1066036001 /nfs/dbraw/zinc/03/60/01/1066036001.db2.gz AODPKNFRXSGFHW-HXUWFJFHSA-N 0 0 469.605 4.943 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@](C)(O)CSc3cccc(F)c3)CC2)cc1 ZINC001441369327 1066035990 /nfs/dbraw/zinc/03/59/90/1066035990.db2.gz KEGWABFDLKCRGB-SANMLTNESA-N 0 0 457.611 4.989 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360882838 1066036113 /nfs/dbraw/zinc/03/61/13/1066036113.db2.gz ARBKQWGZJKYHLF-LJQANCHMSA-N 0 0 450.562 4.613 20 0 JJADRN C[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)N(C)c1ccccc1 ZINC001441380271 1066036478 /nfs/dbraw/zinc/03/64/78/1066036478.db2.gz RJPOBZSBNJJYIU-QGZVFWFLSA-N 0 0 451.364 4.935 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(F)cc2)CC1 ZINC001360883063 1066036587 /nfs/dbraw/zinc/03/65/87/1066036587.db2.gz IYYBXIWUTAPJPR-UHFFFAOYSA-N 0 0 458.379 4.974 20 0 JJADRN COc1ccc(/C(C)=C/C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001441388132 1066037009 /nfs/dbraw/zinc/03/70/09/1066037009.db2.gz DBBAPGACLQOREH-FYWRMAATSA-N 0 0 458.486 4.816 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NCCCNc3ccc(C(F)(F)F)cn3)c3c2CCCC3)cc1 ZINC001441396838 1066037358 /nfs/dbraw/zinc/03/73/58/1066037358.db2.gz HKKJVQZTUZYSIC-UHFFFAOYSA-N 0 0 457.500 4.705 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001441397016 1066037387 /nfs/dbraw/zinc/03/73/87/1066037387.db2.gz JVFXJWKWRRZGBP-FGZHOGPDSA-N 0 0 452.599 4.621 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](C)N1CCOCC1 ZINC001360883649 1066037371 /nfs/dbraw/zinc/03/73/71/1066037371.db2.gz WCKPIVINWDKIEU-FCHUYYIVSA-N 0 0 488.076 4.956 20 0 JJADRN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360883508 1066037459 /nfs/dbraw/zinc/03/74/59/1066037459.db2.gz UUASNQSOSQEXSW-PMACEKPBSA-N 0 0 472.033 4.613 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360883701 1066037877 /nfs/dbraw/zinc/03/78/77/1066037877.db2.gz WSVWHGPTEAYUFB-QHCPKHFHSA-N 0 0 467.658 4.692 20 0 JJADRN CC(C)Cc1ccc(CCCC(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC001360883770 1066037914 /nfs/dbraw/zinc/03/79/14/1066037914.db2.gz FEILWUVWQBDKGO-UHFFFAOYSA-N 0 0 454.636 4.582 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001441403717 1066038063 /nfs/dbraw/zinc/03/80/63/1066038063.db2.gz ZUANAYLCCVQEBL-UHFFFAOYSA-N 0 0 457.378 4.537 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)nn1 ZINC001441405278 1066038247 /nfs/dbraw/zinc/03/82/47/1066038247.db2.gz DPYJPTLDHAHJIJ-QFIPXVFZSA-N 0 0 455.603 4.634 20 0 JJADRN CCc1noc2ncc(C(=O)Nc3ccc(Oc4ccccc4S(=O)(=O)CC)cc3)cc12 ZINC001360884247 1066038312 /nfs/dbraw/zinc/03/83/12/1066038312.db2.gz PBIPSYIDFQOPAW-UHFFFAOYSA-N 0 0 451.504 4.623 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)COC/C=C/c2ccccc2)cc1 ZINC001360884413 1066038417 /nfs/dbraw/zinc/03/84/17/1066038417.db2.gz SZVGTFZIRWNJGU-DHZHZOJOSA-N 0 0 451.544 4.941 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3c(Br)cccc3Br)C2)cc1 ZINC001360884249 1066038454 /nfs/dbraw/zinc/03/84/54/1066038454.db2.gz PDMMWSBWMVHQBQ-AWEZNQCLSA-N 0 0 452.190 4.919 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001360884911 1066039168 /nfs/dbraw/zinc/03/91/68/1066039168.db2.gz LMLKLGDZHJVSNJ-UHFFFAOYSA-N 0 0 494.409 4.918 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001360884832 1066039177 /nfs/dbraw/zinc/03/91/77/1066039177.db2.gz IQNHBQUQANDZAI-UHFFFAOYSA-N 0 0 473.568 4.932 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360884893 1066039311 /nfs/dbraw/zinc/03/93/11/1066039311.db2.gz KXINRASEBMFGEI-UHFFFAOYSA-N 0 0 489.567 4.960 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001441415493 1066039212 /nfs/dbraw/zinc/03/92/12/1066039212.db2.gz FVPUPEACLMYKJE-GOSISDBHSA-N 0 0 458.986 4.695 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)nc1)OCc1ccccc1 ZINC001441415259 1066039407 /nfs/dbraw/zinc/03/94/07/1066039407.db2.gz HQMIRYBLCIZPSM-UHFFFAOYSA-N 0 0 459.424 4.701 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)c2cccs2)CC1 ZINC001360884964 1066039527 /nfs/dbraw/zinc/03/95/27/1066039527.db2.gz NEQAYTFRTPWOCK-UHFFFAOYSA-N 0 0 470.664 4.934 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360885043 1066039661 /nfs/dbraw/zinc/03/96/61/1066039661.db2.gz QIFJDMTZFCAMCM-IBGZPJMESA-N 0 0 493.421 4.979 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC001441417096 1066039697 /nfs/dbraw/zinc/03/96/97/1066039697.db2.gz GNTYGFVBANXMTE-OAHLLOKOSA-N 0 0 451.276 4.561 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441419110 1066039739 /nfs/dbraw/zinc/03/97/39/1066039739.db2.gz JJBZHROWLMHNTJ-NRFANRHFSA-N 0 0 450.583 4.897 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC001441419914 1066039793 /nfs/dbraw/zinc/03/97/93/1066039793.db2.gz LOKCTNLQEQHQDH-HXUWFJFHSA-N 0 0 452.576 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC001441424500 1066040136 /nfs/dbraw/zinc/04/01/36/1066040136.db2.gz DHKBGBIHDATKKX-HOFKKMOUSA-N 0 0 450.579 4.667 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccccc3F)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001360886246 1066040795 /nfs/dbraw/zinc/04/07/95/1066040795.db2.gz OTXKEZPMHOGQCO-UHFFFAOYSA-N 0 0 465.520 4.791 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(OC(C)C)nc1)NC(=O)OC(C)(C)C ZINC001441442848 1066041366 /nfs/dbraw/zinc/04/13/66/1066041366.db2.gz BSOOLXGVFCQJRS-HXUWFJFHSA-N 0 0 457.571 4.540 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C)=C(C)C2)c1Br ZINC001360888083 1066041477 /nfs/dbraw/zinc/04/14/77/1066041477.db2.gz OLPBECJFCYCSDV-MRXNPFEDSA-N 0 0 451.434 4.818 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360888240 1066041496 /nfs/dbraw/zinc/04/14/96/1066041496.db2.gz SABVDCKVGXRGFU-HSZRJFAPSA-N 0 0 497.688 4.843 20 0 JJADRN CCCCCOc1ccc([C@@H](C)NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441443874 1066041827 /nfs/dbraw/zinc/04/18/27/1066041827.db2.gz CHHUDDDAMQSSIX-IIBYNOLFSA-N 0 0 452.567 4.646 20 0 JJADRN CC/C(=C\C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1cccc(Cl)c1 ZINC001360888789 1066041824 /nfs/dbraw/zinc/04/18/24/1066041824.db2.gz IFZRWJOFRGXPLS-FYWRMAATSA-N 0 0 450.988 4.858 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC001360888988 1066041985 /nfs/dbraw/zinc/04/19/85/1066041985.db2.gz PANJCFHMKVHRMU-LJQANCHMSA-N 0 0 453.560 4.631 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC001360888796 1066042008 /nfs/dbraw/zinc/04/20/08/1066042008.db2.gz IIHDTDMGELWNNV-ZDUSSCGKSA-N 0 0 457.017 4.545 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)CSc1ccc(C(C)C)cc1 ZINC001360888969 1066042014 /nfs/dbraw/zinc/04/20/14/1066042014.db2.gz OGEMJMUOXSGWJS-UHFFFAOYSA-N 0 0 450.626 4.626 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)cn2c1 ZINC001545942037 1066042158 /nfs/dbraw/zinc/04/21/58/1066042158.db2.gz IAGZVDWKYDCWKT-DEOSSOPVSA-N 0 0 457.574 4.754 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001360889479 1066042163 /nfs/dbraw/zinc/04/21/63/1066042163.db2.gz HTLLXHAKQYNEOL-HXUWFJFHSA-N 0 0 487.670 4.746 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001360889410 1066042358 /nfs/dbraw/zinc/04/23/58/1066042358.db2.gz FFMBXKIHLFMFRK-JOCHJYFZSA-N 0 0 485.604 4.515 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)c2cnn(C(C)C)c2N)N2CCc3sccc3C2)cc1 ZINC001441460063 1066042467 /nfs/dbraw/zinc/04/24/67/1066042467.db2.gz CDNSPGCIKJPEIW-JOCHJYFZSA-N 0 0 451.640 4.761 20 0 JJADRN CSc1ccc([C@H](CNC(=O)c2cc(C=O)ccc2F)N2CCc3sccc3C2)cc1 ZINC001441461080 1066042530 /nfs/dbraw/zinc/04/25/30/1066042530.db2.gz BEAWHHUIQBIBMZ-QFIPXVFZSA-N 0 0 454.592 4.951 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCOc2ncccc2F)c1 ZINC001360891693 1066042961 /nfs/dbraw/zinc/04/29/61/1066042961.db2.gz BOKBKVWNVWOGSB-UHFFFAOYSA-N 0 0 451.546 4.634 20 0 JJADRN COC(=O)c1cc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)c[nH]1 ZINC001441461886 1066043033 /nfs/dbraw/zinc/04/30/33/1066043033.db2.gz FXXLSDFXRSXYOQ-JOCHJYFZSA-N 0 0 451.592 4.516 20 0 JJADRN Cc1c(C(=O)NCCNc2ncc(Cl)cc2Cl)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001441462670 1066043093 /nfs/dbraw/zinc/04/30/93/1066043093.db2.gz CXIYWZNKUXOZQR-UHFFFAOYSA-N 0 0 458.271 4.743 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)=C(C)C2)n1C[C@]1(C)COCCO1 ZINC001360892341 1066043855 /nfs/dbraw/zinc/04/38/55/1066043855.db2.gz UMKBIYNUNRAIJA-RUZDIDTESA-N 0 0 475.033 4.604 20 0 JJADRN COc1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)co1 ZINC001441468317 1066043998 /nfs/dbraw/zinc/04/39/98/1066043998.db2.gz NYWPYPFJKRMLHX-KRWDZBQOSA-N 0 0 452.363 4.581 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)CC1 ZINC001360892553 1066044303 /nfs/dbraw/zinc/04/43/03/1066044303.db2.gz CZKMNOVXYJPJOI-YTTGMZPUSA-N 0 0 456.656 4.612 20 0 JJADRN Cc1nc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c(-c2ccccc2)s1 ZINC001441475415 1066044448 /nfs/dbraw/zinc/04/44/48/1066044448.db2.gz ABEALPTZIWTSIF-UHFFFAOYSA-N 0 0 451.567 4.735 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3Cc3ccc(F)cc3C(F)(F)F)CC2)oc1C ZINC001360892819 1066045096 /nfs/dbraw/zinc/04/50/96/1066045096.db2.gz NMPSSEOVYSEZQO-UHFFFAOYSA-N 0 0 480.510 4.535 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001360892935 1066045126 /nfs/dbraw/zinc/04/51/26/1066045126.db2.gz RHTRHOTXQFOMHJ-YLJYHZDGSA-N 0 0 478.563 4.795 20 0 JJADRN CC(C)(CO)[C@H](CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccccc1 ZINC001545942258 1066045564 /nfs/dbraw/zinc/04/55/64/1066045564.db2.gz OZHBYLHEGQMRGJ-HXUWFJFHSA-N 0 0 457.640 4.731 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360893102 1066045736 /nfs/dbraw/zinc/04/57/36/1066045736.db2.gz YUGUCUYKKIAMHE-VAMGGRTRSA-N 0 0 469.596 4.627 20 0 JJADRN CCc1sc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1Br ZINC001360893668 1066045967 /nfs/dbraw/zinc/04/59/67/1066045967.db2.gz ROFODXPQLBYHNM-UHFFFAOYSA-N 0 0 452.765 4.832 20 0 JJADRN C[C@H](OC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C)c1nc2ccccc2n1C ZINC001360893788 1066046181 /nfs/dbraw/zinc/04/61/81/1066046181.db2.gz WTNXKMAOSNRWPO-KRWDZBQOSA-N 0 0 453.539 4.737 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](c3ccncc3)C3CCCCC3)CC2)cc1F ZINC001441481297 1066046126 /nfs/dbraw/zinc/04/61/26/1066046126.db2.gz NVKLGMGEZUJTTM-RUZDIDTESA-N 0 0 451.586 4.748 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(-n2ccnc2C)nc1 ZINC001441490619 1066046136 /nfs/dbraw/zinc/04/61/36/1066046136.db2.gz TTXSCUYXVCQNIP-UHFFFAOYSA-N 0 0 457.918 4.837 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4cccn4C)n3CC(F)(F)Br)C2)sc1C ZINC001360894067 1066046366 /nfs/dbraw/zinc/04/63/66/1066046366.db2.gz GPDUENJQWDSMIL-CQSZACIVSA-N 0 0 485.402 4.729 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)CC2)oc1C ZINC001360894349 1066046841 /nfs/dbraw/zinc/04/68/41/1066046841.db2.gz OBBPZWIGGPXVJJ-UHFFFAOYSA-N 0 0 482.938 4.868 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC001441500480 1066046992 /nfs/dbraw/zinc/04/69/92/1066046992.db2.gz ZCFIPKYWFLENAT-UHFFFAOYSA-N 0 0 459.509 4.557 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c(OC)c1OC ZINC001441496534 1066047004 /nfs/dbraw/zinc/04/70/04/1066047004.db2.gz NRXHNVXYFKAPDZ-UHFFFAOYSA-N 0 0 454.454 4.640 20 0 JJADRN CSCC[C@@H](CC(=O)N[C@@H](C)Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001441500863 1066047081 /nfs/dbraw/zinc/04/70/81/1066047081.db2.gz UHLYJUQMQXQFBK-YOEHRIQHSA-N 0 0 459.450 4.533 20 0 JJADRN O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC001441508298 1066047298 /nfs/dbraw/zinc/04/72/98/1066047298.db2.gz VSRDRFBDDHBRIX-UHFFFAOYSA-N 0 0 454.530 4.804 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CC(=O)NC(C)C)C2)sc1C ZINC001360895004 1066047548 /nfs/dbraw/zinc/04/75/48/1066047548.db2.gz XXYJCTCJTXMUGY-KRWDZBQOSA-N 0 0 473.046 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC001441518181 1066047861 /nfs/dbraw/zinc/04/78/61/1066047861.db2.gz FHAGSAIEGCFRDC-UHFFFAOYSA-N 0 0 459.546 4.888 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)sc1C ZINC001360895716 1066048373 /nfs/dbraw/zinc/04/83/73/1066048373.db2.gz KAZCZFCELXSBKC-PXAZEXFGSA-N 0 0 464.408 4.818 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001441532028 1066048895 /nfs/dbraw/zinc/04/88/95/1066048895.db2.gz DZFPSIBZIPDHMD-MRXNPFEDSA-N 0 0 459.477 4.859 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)C[C@H](C)C2)sc1C ZINC001360895784 1066048971 /nfs/dbraw/zinc/04/89/71/1066048971.db2.gz MBGHFPCVIHBODB-OKILXGFUSA-N 0 0 477.476 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Oc2ccc(NC(=O)C3CC3)cc2)(c2ccccc2)C1 ZINC001441532037 1066048956 /nfs/dbraw/zinc/04/89/56/1066048956.db2.gz DTUFFPVZIFXTOC-SANMLTNESA-N 0 0 450.535 4.519 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C)(C)CC2)sc1C ZINC001360896053 1066049231 /nfs/dbraw/zinc/04/92/31/1066049231.db2.gz SELVFITWXUPCQB-UHFFFAOYSA-N 0 0 463.449 4.978 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)sc1C ZINC001360896026 1066049405 /nfs/dbraw/zinc/04/94/05/1066049405.db2.gz RMXRPFPRDAGYDN-MAUKXSAKSA-N 0 0 461.632 4.815 20 0 JJADRN CCN(C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001360896308 1066050098 /nfs/dbraw/zinc/05/00/98/1066050098.db2.gz AKMQCJGYHZIBBP-DQEYMECFSA-N 0 0 455.549 4.609 20 0 JJADRN CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)C1 ZINC001441552475 1066050244 /nfs/dbraw/zinc/05/02/44/1066050244.db2.gz YZGDNRMUXGBULN-MRXNPFEDSA-N 0 0 452.294 4.606 20 0 JJADRN CCN(C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001360896309 1066050347 /nfs/dbraw/zinc/05/03/47/1066050347.db2.gz AKMQCJGYHZIBBP-JWQCQUIFSA-N 0 0 455.549 4.609 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC(C)(C)OC(C)(C)C2)sc1C ZINC001360897340 1066050643 /nfs/dbraw/zinc/05/06/43/1066050643.db2.gz BYTGHTREBMAKIQ-UHFFFAOYSA-N 0 0 461.035 4.703 20 0 JJADRN Cc1nc(CCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)sc1C ZINC001360898414 1066051075 /nfs/dbraw/zinc/05/10/75/1066051075.db2.gz QUQRXCWWQNCMHI-UHFFFAOYSA-N 0 0 475.544 4.650 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)ccc1OC1CCCC1 ZINC001441561044 1066051119 /nfs/dbraw/zinc/05/11/19/1066051119.db2.gz XGLDTLDDUYLPPP-MRXNPFEDSA-N 0 0 452.530 4.723 20 0 JJADRN Cc1nc(CCn2c(C3CCC3)nnc2N(CCO)Cc2ccc(Br)s2)sc1C ZINC001360898520 1066051439 /nfs/dbraw/zinc/05/14/39/1066051439.db2.gz UQVHKLZTEPDZCW-UHFFFAOYSA-N 0 0 496.500 4.685 20 0 JJADRN Cc1nc(CCn2c(CCCc3ccccc3)nnc2N(C)CC2CCOCC2)sc1C ZINC001360898741 1066051553 /nfs/dbraw/zinc/05/15/53/1066051553.db2.gz BFCBLFLINFFYFA-UHFFFAOYSA-N 0 0 453.656 4.632 20 0 JJADRN COc1cc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(Cl)c1OCCC(C)C ZINC001360898832 1066051963 /nfs/dbraw/zinc/05/19/63/1066051963.db2.gz ARGXZFXGCXEXSO-KRWDZBQOSA-N 0 0 454.995 4.855 20 0 JJADRN CCC[C@@H](C(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccn1 ZINC001441573665 1066051985 /nfs/dbraw/zinc/05/19/85/1066051985.db2.gz SCWRIGRSPOSKGE-JOCHJYFZSA-N 0 0 453.564 4.555 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)sc1C ZINC001360899151 1066052312 /nfs/dbraw/zinc/05/23/12/1066052312.db2.gz JNMAGWKUHVTRBL-UHFFFAOYSA-N 0 0 486.730 4.802 20 0 JJADRN Cc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(OC(C)C)CC2)sc1C ZINC001360898965 1066052374 /nfs/dbraw/zinc/05/23/74/1066052374.db2.gz GHYBAVCIEKADLW-UHFFFAOYSA-N 0 0 475.609 4.857 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)sc1C ZINC001360899330 1066052663 /nfs/dbraw/zinc/05/26/63/1066052663.db2.gz LQCHSDCVRZVJEM-UHFFFAOYSA-N 0 0 457.566 4.531 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c12 ZINC001360899288 1066052783 /nfs/dbraw/zinc/05/27/83/1066052783.db2.gz KCMNGEAFWQMBPS-OAHLLOKOSA-N 0 0 454.527 4.517 20 0 JJADRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(Br)cnc1Br ZINC001360899749 1066053081 /nfs/dbraw/zinc/05/30/81/1066053081.db2.gz RJANBCKAFUJWIO-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360899644 1066053101 /nfs/dbraw/zinc/05/31/01/1066053101.db2.gz PLAMXMKOQLLDKB-HXUWFJFHSA-N 0 0 488.702 4.772 20 0 JJADRN COc1cc(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)ccc1NC(=O)OC(C)(C)C ZINC001441602993 1066053072 /nfs/dbraw/zinc/05/30/72/1066053072.db2.gz PYTYPNUMXJLHJZ-UHFFFAOYSA-N 0 0 450.417 4.961 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2sc([C@@H]3CCOC3)nc2C)CC1 ZINC001441608754 1066053273 /nfs/dbraw/zinc/05/32/73/1066053273.db2.gz BKFCBXKTPQWPOK-NHCUHLMSSA-N 0 0 456.608 4.545 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360899890 1066053429 /nfs/dbraw/zinc/05/34/29/1066053429.db2.gz URWGMXKSZDNNEI-IBGZPJMESA-N 0 0 476.691 4.534 20 0 JJADRN CC(=O)N1CCCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 ZINC001360899934 1066053441 /nfs/dbraw/zinc/05/34/41/1066053441.db2.gz VGLZLXLDGBKNHE-OAQYLSRUSA-N 0 0 451.567 4.822 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@H](CC(C)C)NCC(F)(F)F)CC1 ZINC001441612690 1066053701 /nfs/dbraw/zinc/05/37/01/1066053701.db2.gz JMXLLMBNDUNVSR-SFTDATJTSA-N 0 0 456.549 4.529 20 0 JJADRN C[C@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC001441610229 1066053726 /nfs/dbraw/zinc/05/37/26/1066053726.db2.gz VAEUZCHNVREDBR-AOMKIAJQSA-N 0 0 451.567 4.651 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)sc1C ZINC001360900065 1066053906 /nfs/dbraw/zinc/05/39/06/1066053906.db2.gz XKXFAMXSZUYPKI-UHFFFAOYSA-N 0 0 484.576 4.818 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)cn2)cc1C ZINC001441614575 1066054015 /nfs/dbraw/zinc/05/40/15/1066054015.db2.gz JRTPCPRBGOQOCW-UHFFFAOYSA-N 0 0 453.564 4.677 20 0 JJADRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC001441614499 1066054210 /nfs/dbraw/zinc/05/42/10/1066054210.db2.gz VUYWMVFQQXROTP-UHFFFAOYSA-N 0 0 456.905 4.589 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC(F)C2)sc1C ZINC001360901130 1066054530 /nfs/dbraw/zinc/05/45/30/1066054530.db2.gz GKQFVDZMIWIMTA-ACBHZAAOSA-N 0 0 492.665 4.850 20 0 JJADRN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001441620383 1066055106 /nfs/dbraw/zinc/05/51/06/1066055106.db2.gz XSEZCVQJGLENAK-UHFFFAOYSA-N 0 0 459.472 4.681 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)CC[C@@H]2C)sc1C ZINC001360901685 1066055417 /nfs/dbraw/zinc/05/54/17/1066055417.db2.gz YOECBQMFYBMQQD-OLZOCXBDSA-N 0 0 463.449 4.793 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)CC[C@H]2C)sc1C ZINC001360901686 1066055509 /nfs/dbraw/zinc/05/55/09/1066055509.db2.gz YOECBQMFYBMQQD-QWHCGFSZSA-N 0 0 463.449 4.793 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 ZINC001441625350 1066055995 /nfs/dbraw/zinc/05/59/95/1066055995.db2.gz OFUCJRNTAXYWAL-UHFFFAOYSA-N 0 0 455.308 4.900 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@H](C)[C@H](C)C2)sc1C ZINC001360902939 1066056183 /nfs/dbraw/zinc/05/61/83/1066056183.db2.gz QJVWPSRGKSXNDC-PHIMTYICSA-N 0 0 452.447 4.983 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(SC(F)(F)F)cc1 ZINC001441628646 1066056217 /nfs/dbraw/zinc/05/62/17/1066056217.db2.gz ZXUIYJLMGISUOQ-UHFFFAOYSA-N 0 0 454.495 4.759 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C(C)C)C2)sc1C ZINC001360902615 1066056370 /nfs/dbraw/zinc/05/63/70/1066056370.db2.gz KJPIPJFTOAQXCC-SFHVURJKSA-N 0 0 494.434 4.830 20 0 JJADRN Nc1cc(Br)c(F)cc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC001441630781 1066056593 /nfs/dbraw/zinc/05/65/93/1066056593.db2.gz MIQAQPUEZUIQGS-UHFFFAOYSA-N 0 0 453.205 4.840 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492597640 1066056724 /nfs/dbraw/zinc/05/67/24/1066056724.db2.gz CJIUFWAPSUWBDD-AZSVPQILSA-N 0 0 470.658 4.967 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](COCc4ccccc4)C3)s2)cc1OC ZINC001360903050 1066056736 /nfs/dbraw/zinc/05/67/36/1066056736.db2.gz VTKKNQJNBGFPOU-IBGZPJMESA-N 0 0 452.576 4.815 20 0 JJADRN CCCOCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC001441631930 1066056650 /nfs/dbraw/zinc/05/66/50/1066056650.db2.gz QLZZYMURSKJCAF-UHFFFAOYSA-N 0 0 452.576 4.652 20 0 JJADRN O=C(NCc1ccccc1OCc1ccccc1)c1ccc(I)cc1O ZINC001441629078 1066056826 /nfs/dbraw/zinc/05/68/26/1066056826.db2.gz ZPONMXPKJCFVTJ-UHFFFAOYSA-N 0 0 459.283 4.506 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001492597664 1066057005 /nfs/dbraw/zinc/05/70/05/1066057005.db2.gz CVORAYVEDWSGJZ-UHFFFAOYSA-N 0 0 455.647 4.628 20 0 JJADRN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001360903736 1066057017 /nfs/dbraw/zinc/05/70/17/1066057017.db2.gz LNYJKNKORUHAHV-FQEVSTJZSA-N 0 0 457.317 4.928 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)NCC1(c2cccs2)CCCCC1)C(=O)N1CCCC1 ZINC001360903625 1066057069 /nfs/dbraw/zinc/05/70/69/1066057069.db2.gz GWEZCCXOCIXPON-SFHVURJKSA-N 0 0 457.665 4.878 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)sc1C ZINC001360903341 1066057122 /nfs/dbraw/zinc/05/71/22/1066057122.db2.gz XNGIUFVCUAZSDG-KRWDZBQOSA-N 0 0 451.518 4.614 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001441643384 1066057259 /nfs/dbraw/zinc/05/72/59/1066057259.db2.gz QBWITWDVSDTXSQ-OAQYLSRUSA-N 0 0 457.571 4.828 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)sc1C ZINC001360904136 1066057626 /nfs/dbraw/zinc/05/76/26/1066057626.db2.gz CNRILURVDCFEFR-UHFFFAOYSA-N 0 0 466.655 4.843 20 0 JJADRN Cc1nc(Cn2c(CC3CCCC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)sc1C ZINC001360904235 1066057837 /nfs/dbraw/zinc/05/78/37/1066057837.db2.gz GFCLNDGCGCZNDS-UHFFFAOYSA-N 0 0 474.675 4.626 20 0 JJADRN Cc1nc(Cn2c(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)sc1C ZINC001360904583 1066057853 /nfs/dbraw/zinc/05/78/53/1066057853.db2.gz AXYFWMVMWZLYTR-INIZCTEOSA-N 0 0 476.691 4.827 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656743 1066058039 /nfs/dbraw/zinc/05/80/39/1066058039.db2.gz GBGXHECMHYBUJM-KDURUIRLSA-N 0 0 452.599 4.777 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001441654848 1066058073 /nfs/dbraw/zinc/05/80/73/1066058073.db2.gz BWDMUPHPGVSYPI-BGYRXZFFSA-N 0 0 452.595 4.932 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC2CCC2)sc1C ZINC001360904959 1066058855 /nfs/dbraw/zinc/05/88/55/1066058855.db2.gz HYYNWSKGVHYIMQ-UHFFFAOYSA-N 0 0 476.444 4.978 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N(C)Cc3cccc4ccccc43)CC2=O)ccc1Br ZINC001441662784 1066059105 /nfs/dbraw/zinc/05/91/05/1066059105.db2.gz FRGWFSFQTHWURY-IBGZPJMESA-N 0 0 451.364 4.922 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)sc1C ZINC001360905150 1066059301 /nfs/dbraw/zinc/05/93/01/1066059301.db2.gz VAFJNGPILMITFH-FQEVSTJZSA-N 0 0 498.672 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441670931 1066059433 /nfs/dbraw/zinc/05/94/33/1066059433.db2.gz YNGLYTOGRJFVGO-LEWJYISDSA-N 0 0 452.942 4.761 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)(C)C)sc1C ZINC001360905495 1066059664 /nfs/dbraw/zinc/05/96/64/1066059664.db2.gz RKVUYOQEYSCWPK-KRWDZBQOSA-N 0 0 462.664 4.954 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1OCCC(C)C ZINC001441671196 1066059904 /nfs/dbraw/zinc/05/99/04/1066059904.db2.gz JLDSXLKEITYJBW-FPOVZHCZSA-N 0 0 459.631 4.662 20 0 JJADRN Cc1nc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C2CCCCC2)sc1C ZINC001360905683 1066059905 /nfs/dbraw/zinc/05/99/05/1066059905.db2.gz YLWQNDYKVMCUCA-HDICACEKSA-N 0 0 474.675 4.939 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC001441674582 1066060387 /nfs/dbraw/zinc/06/03/87/1066060387.db2.gz STPIKOUJDYEHLG-LJQANCHMSA-N 0 0 451.567 4.948 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(C)c1Cl ZINC001360906229 1066060514 /nfs/dbraw/zinc/06/05/14/1066060514.db2.gz PLZPQEFIORVPSJ-UHFFFAOYSA-N 0 0 456.951 4.661 20 0 JJADRN CCCOc1ccc(OCC(=O)N(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC001360906752 1066060732 /nfs/dbraw/zinc/06/07/32/1066060732.db2.gz KUVUUOUUAPBHCT-UHFFFAOYSA-N 0 0 454.615 4.594 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@H](CC(=O)N(C)C)c4cc(Cl)ccc43)cs2)cc1 ZINC001360906981 1066061372 /nfs/dbraw/zinc/06/13/72/1066061372.db2.gz QCWFAEQSTXKPDZ-HNNXBMFYSA-N 0 0 455.967 4.694 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001441692444 1066061492 /nfs/dbraw/zinc/06/14/92/1066061492.db2.gz RCRQRHMTBWCKTR-FQEVSTJZSA-N 0 0 457.423 4.653 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CC(C)C ZINC001360907425 1066061780 /nfs/dbraw/zinc/06/17/80/1066061780.db2.gz GBKWBIJNFKMPBS-INIZCTEOSA-N 0 0 476.597 4.678 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)c2ccccc2)n1CCC(C)(F)F ZINC001360907533 1066061934 /nfs/dbraw/zinc/06/19/34/1066061934.db2.gz JGZWOCVLSBJUTG-KRWDZBQOSA-N 0 0 476.597 4.789 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001360907624 1066061971 /nfs/dbraw/zinc/06/19/71/1066061971.db2.gz MENXUSVCBPWROD-GOSISDBHSA-N 0 0 487.695 4.684 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 ZINC001360907458 1066062065 /nfs/dbraw/zinc/06/20/65/1066062065.db2.gz GYIXUOIHXWDORJ-UHFFFAOYSA-N 0 0 487.695 4.827 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)ccc1OCc1ccncc1 ZINC001441694465 1066062154 /nfs/dbraw/zinc/06/21/54/1066062154.db2.gz ZFRWDZJESMMYPZ-XDHUDOTRSA-N 0 0 453.970 4.803 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3ccc(F)cc3)CC2)sc1C ZINC001360907821 1066062497 /nfs/dbraw/zinc/06/24/97/1066062497.db2.gz RRJARZMQMDAGRB-UHFFFAOYSA-N 0 0 470.662 4.993 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC001441699389 1066062495 /nfs/dbraw/zinc/06/24/95/1066062495.db2.gz ZUODRMXNZFJRGC-QHCPKHFHSA-N 0 0 459.468 4.782 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)c2cccs2)n1CCC(C)(F)F ZINC001360907974 1066062791 /nfs/dbraw/zinc/06/27/91/1066062791.db2.gz XGFJFVQGYIVUJH-HNNXBMFYSA-N 0 0 482.626 4.851 20 0 JJADRN Cc1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cnn1C1CCCC1 ZINC001441704395 1066062921 /nfs/dbraw/zinc/06/29/21/1066062921.db2.gz UZJJMZGDNKLUQH-UHFFFAOYSA-N 0 0 452.505 4.866 20 0 JJADRN O=C(Cc1ccccc1)Nc1cc(NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1F ZINC001441709536 1066063432 /nfs/dbraw/zinc/06/34/32/1066063432.db2.gz LXASWLVAZCVYIT-UHFFFAOYSA-N 0 0 454.501 4.882 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCOC(C)C ZINC001360908338 1066063581 /nfs/dbraw/zinc/06/35/81/1066063581.db2.gz IENWDUVYMRADEP-UHFFFAOYSA-N 0 0 485.654 4.637 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC2CCCC2)n1CCSCC(C)C ZINC001360908623 1066063989 /nfs/dbraw/zinc/06/39/89/1066063989.db2.gz NYVSFBWQHIOODX-UHFFFAOYSA-N 0 0 478.732 4.562 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(C)O ZINC001360908598 1066064026 /nfs/dbraw/zinc/06/40/26/1066064026.db2.gz NFEHDEWUQBFQRV-UHFFFAOYSA-N 0 0 466.611 4.779 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001360908404 1066064086 /nfs/dbraw/zinc/06/40/86/1066064086.db2.gz JTKWVOFJTPVTNI-LJQANCHMSA-N 0 0 487.695 4.684 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001441723046 1066064151 /nfs/dbraw/zinc/06/41/51/1066064151.db2.gz KJQIPUCANIOYMK-FIFDKROGSA-N 0 0 469.626 4.840 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC001441724035 1066064201 /nfs/dbraw/zinc/06/42/01/1066064201.db2.gz NAKJODQUEWLHGZ-HZPDHXFCSA-N 0 0 456.974 4.527 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(Cc2cccs2)C(C)C)n1CC(=O)N(C)C ZINC001360908800 1066064491 /nfs/dbraw/zinc/06/44/91/1066064491.db2.gz QOCFFEVJCUDIDW-UHFFFAOYSA-N 0 0 480.663 4.942 20 0 JJADRN Cc1sc(NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)nc1-c1ccccc1 ZINC001441733285 1066065201 /nfs/dbraw/zinc/06/52/01/1066065201.db2.gz NIXFQPPFMUAUHA-UHFFFAOYSA-N 0 0 454.495 4.636 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCNC(=O)C(C)C)n1CC1(C)CCC1 ZINC001360909212 1066065683 /nfs/dbraw/zinc/06/56/83/1066065683.db2.gz YKQQEOPNSJZELR-UHFFFAOYSA-N 0 0 466.655 4.776 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC001441741468 1066065958 /nfs/dbraw/zinc/06/59/58/1066065958.db2.gz LCSHDRLDJULMHK-HSZRJFAPSA-N 0 0 452.551 4.864 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C)(C)CC2)n1CCC(=O)NC(C)C ZINC001360910344 1066066080 /nfs/dbraw/zinc/06/60/80/1066066080.db2.gz CVMJQJZBLYDOFN-UHFFFAOYSA-N 0 0 466.655 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@H](c3ccccc3)C(C)(C)C)ccn2)CC1 ZINC001441738373 1066066225 /nfs/dbraw/zinc/06/62/25/1066066225.db2.gz RXRFIZQKRGNQMY-JOCHJYFZSA-N 0 0 452.599 4.656 20 0 JJADRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1 ZINC001441742176 1066066757 /nfs/dbraw/zinc/06/67/57/1066066757.db2.gz ZCYIUTXOMLFOTL-UHFFFAOYSA-N 0 0 459.362 4.641 20 0 JJADRN CCn1c(Br)ncc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001441747189 1066067282 /nfs/dbraw/zinc/06/72/82/1066067282.db2.gz LIMDTLBSJIEFSU-UHFFFAOYSA-N 0 0 459.291 4.984 20 0 JJADRN O=C(CCN1CSCCSC1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001441745909 1066067337 /nfs/dbraw/zinc/06/73/37/1066067337.db2.gz IODARYNKJCYIGI-UHFFFAOYSA-N 0 0 458.472 4.522 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC(F)(F)F ZINC001360910781 1066067473 /nfs/dbraw/zinc/06/74/73/1066067473.db2.gz PCJKOXIZTWIQBY-UHFFFAOYSA-N 0 0 490.477 4.624 20 0 JJADRN Cc1sc(NC(=O)c2c(Br)nc3n2CCOC3)nc1-c1cccc(Cl)c1 ZINC001441749639 1066067730 /nfs/dbraw/zinc/06/77/30/1066067730.db2.gz WXVUVTSMVGDASG-UHFFFAOYSA-N 0 0 453.749 4.513 20 0 JJADRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC001441749193 1066067774 /nfs/dbraw/zinc/06/77/74/1066067774.db2.gz MYGWFUJMRCYMTI-UHFFFAOYSA-N 0 0 453.873 4.775 20 0 JJADRN Cc1sc(NC(=O)CCNC(=O)N2CCc3ccccc3C2)nc1-c1cccc(Cl)c1 ZINC001441749330 1066067796 /nfs/dbraw/zinc/06/77/96/1066067796.db2.gz WIAWJFJWKOUNHT-UHFFFAOYSA-N 0 0 454.983 4.868 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)C(C)C ZINC001360911114 1066067738 /nfs/dbraw/zinc/06/77/38/1066067738.db2.gz XGIIMNMZGSBNDN-KRWDZBQOSA-N 0 0 482.645 4.710 20 0 JJADRN O=C(CCSc1ccnc2cc(Cl)ccc21)Nc1cccc(Cn2cccnc2=O)c1 ZINC001441751796 1066067897 /nfs/dbraw/zinc/06/78/97/1066067897.db2.gz JPPYHHCMJSMSQN-UHFFFAOYSA-N 0 0 450.951 4.614 20 0 JJADRN Nc1c(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cnn1Cc1ccccc1 ZINC001441752558 1066068104 /nfs/dbraw/zinc/06/81/04/1066068104.db2.gz UQYQFXCQIOBLNQ-UHFFFAOYSA-N 0 0 457.481 4.832 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001360911150 1066068132 /nfs/dbraw/zinc/06/81/32/1066068132.db2.gz YDSSDPKCXWXAFX-HUUCEWRRSA-N 0 0 486.608 4.617 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001441752476 1066068214 /nfs/dbraw/zinc/06/82/14/1066068214.db2.gz TZKCXTKKCKXSLK-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC001441754332 1066068226 /nfs/dbraw/zinc/06/82/26/1066068226.db2.gz VTTYBUZZCGJRAY-UHFFFAOYSA-N 0 0 452.761 4.993 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001360911601 1066068645 /nfs/dbraw/zinc/06/86/45/1066068645.db2.gz QYRVMKANXYEITP-HOTGVXAUSA-N 0 0 457.420 4.997 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360911748 1066068895 /nfs/dbraw/zinc/06/88/95/1066068895.db2.gz VSWUSGGYZKRWAR-GCJKJVERSA-N 0 0 473.021 4.741 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001360911829 1066069096 /nfs/dbraw/zinc/06/90/96/1066069096.db2.gz YBJZXSCLKLGCOR-HZPDHXFCSA-N 0 0 457.420 4.854 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)Nc3ccc(-c4cnco4)cc3)c2)c1 ZINC001441773107 1066069097 /nfs/dbraw/zinc/06/90/97/1066069097.db2.gz MLRSNHPYCOAXNN-UHFFFAOYSA-N 0 0 459.458 4.569 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360913146 1066069842 /nfs/dbraw/zinc/06/98/42/1066069842.db2.gz OADRINGTEMVZIC-UHFFFAOYSA-N 0 0 473.478 4.799 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@@H]1Cc2ccccc21)c1ccc(Br)cc1 ZINC001441794022 1066069822 /nfs/dbraw/zinc/06/98/22/1066069822.db2.gz DLTZWTBVBQWRFF-QMHKHESXSA-N 0 0 459.384 4.645 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360914490 1066070674 /nfs/dbraw/zinc/07/06/74/1066070674.db2.gz GDQQSEJYDGOLSK-SFHVURJKSA-N 0 0 478.567 4.588 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC001360914333 1066070714 /nfs/dbraw/zinc/07/07/14/1066070714.db2.gz DMZKMXDXWABLHE-UHFFFAOYSA-N 0 0 464.658 4.759 20 0 JJADRN COc1cc(CN(C)C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(SC)cc1OC ZINC001360914247 1066070741 /nfs/dbraw/zinc/07/07/41/1066070741.db2.gz SSDHIUZSFKPOHF-UHFFFAOYSA-N 0 0 457.592 4.667 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1NC(=O)CC(C)C ZINC001441807743 1066070694 /nfs/dbraw/zinc/07/06/94/1066070694.db2.gz DERCBLLHTWYLFF-SFHVURJKSA-N 0 0 456.974 4.519 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360915003 1066070950 /nfs/dbraw/zinc/07/09/50/1066070950.db2.gz UGFZWLCJRPEQPP-WIYYLYMNSA-N 0 0 487.693 4.661 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360915077 1066070961 /nfs/dbraw/zinc/07/09/61/1066070961.db2.gz WJIFGUGYIFBNNR-UHFFFAOYSA-N 0 0 475.416 4.587 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CCOCC1 ZINC001360916263 1066071864 /nfs/dbraw/zinc/07/18/64/1066071864.db2.gz HISVQLJATRBQPX-UHFFFAOYSA-N 0 0 493.439 4.691 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001360916165 1066071908 /nfs/dbraw/zinc/07/19/08/1066071908.db2.gz DBLKCWSAXMIQEC-NVXWUHKLSA-N 0 0 473.419 4.519 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnn3c2NC[C@H](C)C3)ccc1Cl ZINC001441815243 1066072443 /nfs/dbraw/zinc/07/24/43/1066072443.db2.gz OJPZNFYKZRRIIX-INIZCTEOSA-N 0 0 451.958 4.513 20 0 JJADRN CCCOc1ccc(NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001441815159 1066072464 /nfs/dbraw/zinc/07/24/64/1066072464.db2.gz KGRDTBLJXHSHEE-QFIPXVFZSA-N 0 0 451.951 4.613 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441815469 1066072665 /nfs/dbraw/zinc/07/26/65/1066072665.db2.gz NGFPNIUAMNNZDX-MRXNPFEDSA-N 0 0 454.523 4.550 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 ZINC001360917965 1066072900 /nfs/dbraw/zinc/07/29/00/1066072900.db2.gz FTFKLQCZNGIZJY-UHFFFAOYSA-N 0 0 458.031 4.710 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001360917825 1066072935 /nfs/dbraw/zinc/07/29/35/1066072935.db2.gz YBRXLXRFXLLWIT-JITJBCMDSA-N 0 0 450.417 4.694 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360917877 1066073058 /nfs/dbraw/zinc/07/30/58/1066073058.db2.gz DHVZIIOUGVGVQC-MSOLQXFVSA-N 0 0 459.591 4.570 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC001441819549 1066073495 /nfs/dbraw/zinc/07/34/95/1066073495.db2.gz HWBRYRBKBRKVIV-UHFFFAOYSA-N 0 0 458.002 4.924 20 0 JJADRN Cc1ccsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360918218 1066073826 /nfs/dbraw/zinc/07/38/26/1066073826.db2.gz MDPLIIWEMQLGOO-IBGZPJMESA-N 0 0 499.656 4.865 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)/C=C/COC2CCOCC2)ccc1Cl ZINC001441821068 1066073851 /nfs/dbraw/zinc/07/38/51/1066073851.db2.gz YFVWCGRWQZBEDY-RMKNXTFCSA-N 0 0 456.970 4.693 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c(C)n1-c1ccn(C)n1 ZINC001441822542 1066074053 /nfs/dbraw/zinc/07/40/53/1066074053.db2.gz NBYINDGECPCHEN-HNNXBMFYSA-N 0 0 453.974 4.748 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001441824079 1066074061 /nfs/dbraw/zinc/07/40/61/1066074061.db2.gz XQYMNBFWKXCQKP-PMACEKPBSA-N 0 0 450.608 4.834 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001441824949 1066074252 /nfs/dbraw/zinc/07/42/52/1066074252.db2.gz VFRGPXPAVATTDB-NRFANRHFSA-N 0 0 454.567 4.929 20 0 JJADRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001441825063 1066074356 /nfs/dbraw/zinc/07/43/56/1066074356.db2.gz UFLGZBHKYHKFQM-SIKLNZKXSA-N 0 0 457.615 4.889 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001441824089 1066074369 /nfs/dbraw/zinc/07/43/69/1066074369.db2.gz XQYMNBFWKXCQKP-WOJBJXKFSA-N 0 0 450.608 4.834 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001441824960 1066074549 /nfs/dbraw/zinc/07/45/49/1066074549.db2.gz VFRGPXPAVATTDB-OAQYLSRUSA-N 0 0 454.567 4.929 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1)c1ccccc1 ZINC001441847207 1066074820 /nfs/dbraw/zinc/07/48/20/1066074820.db2.gz YFFPKPRODNUYRJ-UARRHKHWSA-N 0 0 477.605 4.770 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001360919786 1066075004 /nfs/dbraw/zinc/07/50/04/1066075004.db2.gz BEIVKVJVXLTGJM-UHFFFAOYSA-N 0 0 474.625 4.637 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCc1ccc(F)cc1C ZINC001545944791 1066075403 /nfs/dbraw/zinc/07/54/03/1066075403.db2.gz VEBHJZGGNAKKBU-CALCHBBNSA-N 0 0 465.564 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001441854715 1066075431 /nfs/dbraw/zinc/07/54/31/1066075431.db2.gz PKVZUHHSSRPVNK-QGZVFWFLSA-N 0 0 451.995 4.602 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360920010 1066075416 /nfs/dbraw/zinc/07/54/16/1066075416.db2.gz JWTRACQQSRRWSS-AWEZNQCLSA-N 0 0 476.444 4.719 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360919842 1066075491 /nfs/dbraw/zinc/07/54/91/1066075491.db2.gz CRWLGVSEVOZSOH-OAHLLOKOSA-N 0 0 484.979 4.679 20 0 JJADRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001441869051 1066075758 /nfs/dbraw/zinc/07/57/58/1066075758.db2.gz QWCUQPQVAALSEA-LJAQVGFWSA-N 0 0 456.391 4.700 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC001441869641 1066075908 /nfs/dbraw/zinc/07/59/08/1066075908.db2.gz ONSZUPSXPBLHTM-JOCHJYFZSA-N 0 0 450.535 4.707 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360920113 1066076023 /nfs/dbraw/zinc/07/60/23/1066076023.db2.gz ODXYPAZABDEGNI-UHFFFAOYSA-N 0 0 477.581 4.948 20 0 JJADRN CCCc1c(C(=O)N(C)CCCOc2ccccc2C)cnn1-c1cc(F)c(OC)cc1F ZINC001441876395 1066076290 /nfs/dbraw/zinc/07/62/90/1066076290.db2.gz NMFOZBLZRVNPGB-UHFFFAOYSA-N 0 0 457.521 4.961 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001360920157 1066076271 /nfs/dbraw/zinc/07/62/71/1066076271.db2.gz PUBPWEWCDDPWLB-NRFANRHFSA-N 0 0 490.720 4.539 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360920399 1066076658 /nfs/dbraw/zinc/07/66/58/1066076658.db2.gz VGBCOCWBGDCHAT-LJQANCHMSA-N 0 0 482.654 4.646 20 0 JJADRN CN(C(=O)c1ccccc1NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC001441880434 1066076770 /nfs/dbraw/zinc/07/67/70/1066076770.db2.gz CRQYTNUGVBYKCN-UHFFFAOYSA-N 0 0 455.599 4.987 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360920394 1066076795 /nfs/dbraw/zinc/07/67/95/1066076795.db2.gz VFCPTPOFYKRMHB-INIZCTEOSA-N 0 0 476.444 4.578 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCCc2ccc(F)c(Br)c2)s1 ZINC001441879781 1066076913 /nfs/dbraw/zinc/07/69/13/1066076913.db2.gz CBVUBNVMNPPMNW-UHFFFAOYSA-N 0 0 457.365 4.994 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC001441880443 1066076957 /nfs/dbraw/zinc/07/69/57/1066076957.db2.gz CULBEWVWUOUTSN-QFQXNSOFSA-N 0 0 457.615 4.905 20 0 JJADRN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001441882886 1066077110 /nfs/dbraw/zinc/07/71/10/1066077110.db2.gz HJUJYJMHYOWQSV-UONOGXRCSA-N 0 0 452.281 4.822 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)CCc2cccc(OCc3ccccc3)c2)cc1C ZINC001441882529 1066077282 /nfs/dbraw/zinc/07/72/82/1066077282.db2.gz GKEHQSAWASGZMF-UHFFFAOYSA-N 0 0 452.576 4.907 20 0 JJADRN O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001441882861 1066077316 /nfs/dbraw/zinc/07/73/16/1066077316.db2.gz HJUJYJMHYOWQSV-KBPBESRZSA-N 0 0 452.281 4.822 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)c2cc(N3CCOC3=O)ccc2F)c(C(F)(F)F)c1 ZINC001360921821 1066077452 /nfs/dbraw/zinc/07/74/52/1066077452.db2.gz KFUKXMDASSWNEA-UHFFFAOYSA-N 0 0 454.420 4.908 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360921443 1066077573 /nfs/dbraw/zinc/07/75/73/1066077573.db2.gz JCYIJHOTXVNKBY-SFHVURJKSA-N 0 0 474.675 4.684 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001360921778 1066077616 /nfs/dbraw/zinc/07/76/16/1066077616.db2.gz ORAAGSJJQDPOSO-UHFFFAOYSA-N 0 0 460.607 4.644 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360923137 1066078308 /nfs/dbraw/zinc/07/83/08/1066078308.db2.gz LLVFERBWZSEGBH-VQTJNVASSA-N 0 0 473.687 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC001441890153 1066078555 /nfs/dbraw/zinc/07/85/55/1066078555.db2.gz WPQIVNOZINGRSV-HZPDHXFCSA-N 0 0 471.520 4.564 20 0 JJADRN Cc1cccc(Oc2ncccc2NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1C ZINC001441888298 1066078727 /nfs/dbraw/zinc/07/87/27/1066078727.db2.gz UQTVEXRUODEUIA-UHFFFAOYSA-N 0 0 458.562 4.558 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 ZINC001360923203 1066078849 /nfs/dbraw/zinc/07/88/49/1066078849.db2.gz MSXKIRKNJKESOJ-OAHLLOKOSA-N 0 0 482.473 4.640 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC001441890625 1066078878 /nfs/dbraw/zinc/07/88/78/1066078878.db2.gz WPVTTYGKYYTCOE-AFMDSPMNSA-N 0 0 455.599 4.597 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)cc1OC ZINC001441892194 1066079087 /nfs/dbraw/zinc/07/90/87/1066079087.db2.gz NWGZRZYBRCSLTN-UHFFFAOYSA-N 0 0 450.988 4.852 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC001441890650 1066079127 /nfs/dbraw/zinc/07/91/27/1066079127.db2.gz WPVTTYGKYYTCOE-SIBVEZHUSA-N 0 0 455.599 4.597 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC001441894277 1066079997 /nfs/dbraw/zinc/07/99/97/1066079997.db2.gz SOQXMAZJRGKDGY-SVFBPWRDSA-N 0 0 453.583 4.731 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001360924343 1066080297 /nfs/dbraw/zinc/08/02/97/1066080297.db2.gz MROYZSLXLUUTRF-UHFFFAOYSA-N 0 0 452.603 4.607 20 0 JJADRN CN(c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1F)C1CCCCC1 ZINC001441914191 1066080506 /nfs/dbraw/zinc/08/05/06/1066080506.db2.gz IAACWGZNIDQSNN-UHFFFAOYSA-N 0 0 453.967 4.872 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001441914313 1066080626 /nfs/dbraw/zinc/08/06/26/1066080626.db2.gz NTSYANUNDACKPS-NKKJXINNSA-N 0 0 458.599 4.527 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001360924800 1066080666 /nfs/dbraw/zinc/08/06/66/1066080666.db2.gz NWMBBSBLJVGCOP-VWLOTQADSA-N 0 0 450.623 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC001441934070 1066081831 /nfs/dbraw/zinc/08/18/31/1066081831.db2.gz TYYSSDRMPDINAN-UHFFFAOYSA-N 0 0 453.402 4.676 20 0 JJADRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC001441946345 1066082246 /nfs/dbraw/zinc/08/22/46/1066082246.db2.gz JFOKZUBKLWLNEK-GOSISDBHSA-N 0 0 455.386 4.684 20 0 JJADRN COc1cccc(Oc2ccc(NC(=O)C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001441947377 1066082272 /nfs/dbraw/zinc/08/22/72/1066082272.db2.gz GMABUUKSWOVPJV-VWLOTQADSA-N 0 0 456.539 4.578 20 0 JJADRN Cc1ccsc1CCn1c(COc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360925924 1066082345 /nfs/dbraw/zinc/08/23/45/1066082345.db2.gz DGGCJFYVZDYOBM-UHFFFAOYSA-N 0 0 497.562 4.683 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)cc1 ZINC001441952308 1066082597 /nfs/dbraw/zinc/08/25/97/1066082597.db2.gz RXTPHLKNWXHBAR-UHFFFAOYSA-N 0 0 455.396 4.692 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)CCc4ccc(S(=O)(=O)CC)cc4)CC3)c[nH]c21 ZINC001441955871 1066082666 /nfs/dbraw/zinc/08/26/66/1066082666.db2.gz HARVEFSFCYMXBV-UHFFFAOYSA-N 0 0 452.620 4.863 20 0 JJADRN Cc1ccsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001360926107 1066082732 /nfs/dbraw/zinc/08/27/32/1066082732.db2.gz HJZLPMGHUWGFGR-HNNXBMFYSA-N 0 0 464.060 4.537 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Br)cc2)nnc1N(C)CCC1CC1 ZINC001360926189 1066082797 /nfs/dbraw/zinc/08/27/97/1066082797.db2.gz IIYJJHLBUNBDTD-UHFFFAOYSA-N 0 0 476.444 4.864 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360926584 1066083433 /nfs/dbraw/zinc/08/34/33/1066083433.db2.gz UPMNMBORHQKKHG-JFRXWTBNSA-N 0 0 474.675 4.539 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360926673 1066083484 /nfs/dbraw/zinc/08/34/84/1066083484.db2.gz XJGGUMDXWLXVAU-GOSISDBHSA-N 0 0 499.534 4.552 20 0 JJADRN Cc1ccsc1CCn1c(N(Cc2ccco2)C(C)C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360926646 1066083615 /nfs/dbraw/zinc/08/36/15/1066083615.db2.gz WKEDTVMCESZMEE-XMMPIXPASA-N 0 0 458.628 4.939 20 0 JJADRN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC001441966035 1066083554 /nfs/dbraw/zinc/08/35/54/1066083554.db2.gz DPOGNBHCYZXUDI-OALUTQOASA-N 0 0 450.608 4.899 20 0 JJADRN CSCC[C@@H](CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)NC(=O)OC(C)(C)C ZINC001441979080 1066083888 /nfs/dbraw/zinc/08/38/88/1066083888.db2.gz ILCDZCTUTNDFDD-IBGZPJMESA-N 0 0 458.628 4.861 20 0 JJADRN Cc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Br)cc1S(N)(=O)=O ZINC001441979464 1066083944 /nfs/dbraw/zinc/08/39/44/1066083944.db2.gz QUVPOTXCLUCZFV-UHFFFAOYSA-N 0 0 453.402 4.904 20 0 JJADRN Cc1ccc2c(c1)C(=O)N(CC(=O)NCC1(c3cccc(C(F)(F)F)c3)CCCCC1)C2=O ZINC001360928892 1066084869 /nfs/dbraw/zinc/08/48/69/1066084869.db2.gz REPRMSILPALBGW-UHFFFAOYSA-N 0 0 458.480 4.628 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)c1cc(C)cc(C)c1 ZINC001441993249 1066084910 /nfs/dbraw/zinc/08/49/10/1066084910.db2.gz WUIGQRWLYBKSCX-QFIPXVFZSA-N 0 0 451.567 4.748 20 0 JJADRN O=C(NCc1cccc(COc2ccccc2)c1)c1nc2ccc(Br)cn2c1F ZINC001441999267 1066084945 /nfs/dbraw/zinc/08/49/45/1066084945.db2.gz AFCBBDOJPRUVEI-UHFFFAOYSA-N 0 0 454.299 4.745 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2CC2CC(C)(C)C2)cnn1C ZINC001360929494 1066085178 /nfs/dbraw/zinc/08/51/78/1066085178.db2.gz GZPZQXNPMQAFMR-UHFFFAOYSA-N 0 0 457.420 4.822 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(OC)c1OC ZINC001442012467 1066085182 /nfs/dbraw/zinc/08/51/82/1066085182.db2.gz SLJFMFBSELEOAM-UHFFFAOYSA-N 0 0 458.511 4.885 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001442016118 1066085311 /nfs/dbraw/zinc/08/53/11/1066085311.db2.gz GIOMYVYKHSNPKU-GHTZIAJQSA-N 0 0 458.628 4.655 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCC1 ZINC001360929427 1066085339 /nfs/dbraw/zinc/08/53/39/1066085339.db2.gz FDEMXBMBIMTEMM-INIZCTEOSA-N 0 0 462.019 4.778 20 0 JJADRN COc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C=O)cc1 ZINC001442012296 1066085427 /nfs/dbraw/zinc/08/54/27/1066085427.db2.gz QVCBWRJNMAVUPB-UHFFFAOYSA-N 0 0 450.495 4.581 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001442016121 1066085876 /nfs/dbraw/zinc/08/58/76/1066085876.db2.gz GIOMYVYKHSNPKU-WIYYLYMNSA-N 0 0 458.628 4.655 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCCCO2)cnn1C ZINC001360929850 1066086184 /nfs/dbraw/zinc/08/61/84/1066086184.db2.gz NTNKQVXQMKLFIH-RXVVDRJESA-N 0 0 473.021 4.709 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCC(F)(F)CC1 ZINC001360930447 1066086996 /nfs/dbraw/zinc/08/69/96/1066086996.db2.gz UPUMHIRLZCBZIW-QFIPXVFZSA-N 0 0 452.546 4.682 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCC(F)(F)CC1 ZINC001360930442 1066087106 /nfs/dbraw/zinc/08/71/06/1066087106.db2.gz UPUMHIRLZCBZIW-JOCHJYFZSA-N 0 0 452.546 4.682 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492597558 1066087435 /nfs/dbraw/zinc/08/74/35/1066087435.db2.gz ARVGTEBIXDOTCY-OAQYLSRUSA-N 0 0 496.656 4.753 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001442046023 1066087650 /nfs/dbraw/zinc/08/76/50/1066087650.db2.gz IPKDEYHUWRNHJM-ZLIFDBKOSA-N 0 0 453.302 4.613 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001360931040 1066087664 /nfs/dbraw/zinc/08/76/64/1066087664.db2.gz YTDMYAZTSCAJAS-KBPBESRZSA-N 0 0 493.475 4.651 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCOCC1 ZINC001360931026 1066087675 /nfs/dbraw/zinc/08/76/75/1066087675.db2.gz YNMFGZUVAPATAY-MRXNPFEDSA-N 0 0 462.019 4.899 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)c(F)cc2I)s1 ZINC001360931705 1066088098 /nfs/dbraw/zinc/08/80/98/1066088098.db2.gz UIGZBZOATQAPHJ-SECBINFHSA-N 0 0 450.292 4.730 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)cnn1C ZINC001360931068 1066088180 /nfs/dbraw/zinc/08/81/80/1066088180.db2.gz ZMJXZCAUGFRBKF-MRXNPFEDSA-N 0 0 457.003 4.860 20 0 JJADRN CCC(CC)c1nnc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)s1 ZINC001442057822 1066088207 /nfs/dbraw/zinc/08/82/07/1066088207.db2.gz GLHGGXVBMHUKCW-UHFFFAOYSA-N 0 0 455.765 4.951 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001442055665 1066088267 /nfs/dbraw/zinc/08/82/67/1066088267.db2.gz WBIQSKVAAXQGOB-SZVBFZGTSA-N 0 0 453.421 4.970 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCS2)cnn1C ZINC001360932096 1066089271 /nfs/dbraw/zinc/08/92/71/1066089271.db2.gz FGOPSVOXZQPWTI-KRWDZBQOSA-N 0 0 493.450 4.811 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Br)cc2F)CC1 ZINC001360932189 1066089361 /nfs/dbraw/zinc/08/93/61/1066089361.db2.gz AKJZSPNKXSQSIU-CQSZACIVSA-N 0 0 455.755 4.526 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2ccnc(C(F)(F)F)c2)cnn1C ZINC001360932091 1066089446 /nfs/dbraw/zinc/08/94/46/1066089446.db2.gz FDZPTIOIWSVHKB-UHFFFAOYSA-N 0 0 475.906 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC001442075647 1066090057 /nfs/dbraw/zinc/09/00/57/1066090057.db2.gz PISMAJNOMWPLIR-SBUREZEXSA-N 0 0 463.416 4.634 20 0 JJADRN O=C(NC1CCCCC1)c1cc(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)ccc1Cl ZINC001442077762 1066090324 /nfs/dbraw/zinc/09/03/24/1066090324.db2.gz PQPWEJPGYKSBBV-HXUWFJFHSA-N 0 0 453.970 4.784 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1nccs1 ZINC001360932739 1066090540 /nfs/dbraw/zinc/09/05/40/1066090540.db2.gz RLQUOVFTMKXIMY-UHFFFAOYSA-N 0 0 475.416 4.673 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC(C)(C)C ZINC001360932872 1066090790 /nfs/dbraw/zinc/09/07/90/1066090790.db2.gz SQXSFVPHYDKTSY-OAHLLOKOSA-N 0 0 486.711 4.838 20 0 JJADRN Cc1cccc([C@H]2CCCN2C(=O)CCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC001442078971 1066090793 /nfs/dbraw/zinc/09/07/93/1066090793.db2.gz UWDXQXAKYKAKIJ-HXUWFJFHSA-N 0 0 450.398 4.675 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCOC(C)C ZINC001360933188 1066090976 /nfs/dbraw/zinc/09/09/76/1066090976.db2.gz XQUKHXIGLCNOGC-UHFFFAOYSA-N 0 0 467.437 4.642 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(F)cn1 ZINC001360933233 1066091062 /nfs/dbraw/zinc/09/10/62/1066091062.db2.gz ZXFZVRPEILGQHT-UHFFFAOYSA-N 0 0 491.365 4.830 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC001360933275 1066091408 /nfs/dbraw/zinc/09/14/08/1066091408.db2.gz MYWXGWQLNOGHNZ-MRXNPFEDSA-N 0 0 459.377 4.881 20 0 JJADRN CCc1c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001360933542 1066091450 /nfs/dbraw/zinc/09/14/50/1066091450.db2.gz PXBWCKRIRAORTE-INIZCTEOSA-N 0 0 458.393 4.656 20 0 JJADRN CCc1c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001360933543 1066091488 /nfs/dbraw/zinc/09/14/88/1066091488.db2.gz PXBWCKRIRAORTE-MRXNPFEDSA-N 0 0 458.393 4.656 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)C(C)(C)C ZINC001360933234 1066091692 /nfs/dbraw/zinc/09/16/92/1066091692.db2.gz ZYCWEASKPNUCSX-INIZCTEOSA-N 0 0 469.655 4.832 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC001360933880 1066092060 /nfs/dbraw/zinc/09/20/60/1066092060.db2.gz UONXJEUEZISDLX-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)cnn1C ZINC001360934684 1066092801 /nfs/dbraw/zinc/09/28/01/1066092801.db2.gz IAKPJIQHSKMOKL-AZUAARDMSA-N 0 0 450.631 4.736 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)cc2F)cnn1C ZINC001360934668 1066092837 /nfs/dbraw/zinc/09/28/37/1066092837.db2.gz HLZZKFBSISFQHE-UHFFFAOYSA-N 0 0 460.344 4.513 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 ZINC001442098008 1066092890 /nfs/dbraw/zinc/09/28/90/1066092890.db2.gz BBKZEFPBCNMYOV-UHFFFAOYSA-N 0 0 453.362 4.875 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCCCO2)cnn1C ZINC001360934630 1066092899 /nfs/dbraw/zinc/09/28/99/1066092899.db2.gz GIALLIZQWGULEH-QGZVFWFLSA-N 0 0 493.837 4.608 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CCC1 ZINC001360934718 1066093108 /nfs/dbraw/zinc/09/31/08/1066093108.db2.gz JFUYMKJHLRXPIK-SSEXGKCCSA-N 0 0 450.967 4.577 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(F)F)cnn1C ZINC001360934712 1066093123 /nfs/dbraw/zinc/09/31/23/1066093123.db2.gz JCIARUPGBMOEAF-UHFFFAOYSA-N 0 0 471.325 4.570 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)cc2s1 ZINC001442103983 1066093325 /nfs/dbraw/zinc/09/33/25/1066093325.db2.gz KFUHCJAEFXBWJO-INIZCTEOSA-N 0 0 451.470 4.596 20 0 JJADRN COCCN(Cc1ccccn1)C(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 ZINC001442102468 1066093401 /nfs/dbraw/zinc/09/34/01/1066093401.db2.gz BWUCPHWYTPUCSH-UHFFFAOYSA-N 0 0 456.546 4.540 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1nscc1Br ZINC001442104018 1066093424 /nfs/dbraw/zinc/09/34/24/1066093424.db2.gz GVSLRVCGCIKOLT-UHFFFAOYSA-N 0 0 451.365 4.920 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)s1 ZINC001442102785 1066093445 /nfs/dbraw/zinc/09/34/45/1066093445.db2.gz DROLCLSQSJSZIQ-UHFFFAOYSA-N 0 0 453.633 4.831 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1c(C(F)F)nc2cnccn21 ZINC001442102526 1066093474 /nfs/dbraw/zinc/09/34/74/1066093474.db2.gz CMHVNDHQFOTFDE-UHFFFAOYSA-N 0 0 456.472 4.681 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)cnn1C ZINC001360934781 1066093705 /nfs/dbraw/zinc/09/37/05/1066093705.db2.gz LOONLGDUJQLRRA-SIKLNZKXSA-N 0 0 457.022 4.728 20 0 JJADRN Cc1nccn1-c1ccc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)cc1F ZINC001442105343 1066093772 /nfs/dbraw/zinc/09/37/72/1066093772.db2.gz OBTTYZPNOMOJPO-UHFFFAOYSA-N 0 0 458.331 4.752 20 0 JJADRN COCCN(Cc1ccccn1)C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001442104040 1066093789 /nfs/dbraw/zinc/09/37/89/1066093789.db2.gz HKCOSGZKALLEJE-QFIPXVFZSA-N 0 0 455.352 4.639 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)cc2s1 ZINC001442106194 1066093886 /nfs/dbraw/zinc/09/38/86/1066093886.db2.gz QAHQLIABCFWJKX-OWOHRZCZSA-N 0 0 458.584 4.667 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442106549 1066094205 /nfs/dbraw/zinc/09/42/05/1066094205.db2.gz JVVQEYIUUOYPGR-MRXNPFEDSA-N 0 0 451.317 4.603 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360935080 1066094369 /nfs/dbraw/zinc/09/43/69/1066094369.db2.gz WFXIANCUQBTUCM-HNNXBMFYSA-N 0 0 474.993 4.787 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1 ZINC001360935077 1066094430 /nfs/dbraw/zinc/09/44/30/1066094430.db2.gz WFOOBAKBRROUDJ-GFCCVEGCSA-N 0 0 470.487 4.924 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442110472 1066094973 /nfs/dbraw/zinc/09/49/73/1066094973.db2.gz VRTZXCHRLAOYEY-SCLBCKFNSA-N 0 0 458.274 4.835 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn(C)c1 ZINC001360935340 1066095031 /nfs/dbraw/zinc/09/50/31/1066095031.db2.gz GZRBUXHMNFZXGV-UHFFFAOYSA-N 0 0 465.627 4.553 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)cnn1C ZINC001360935842 1066095559 /nfs/dbraw/zinc/09/55/59/1066095559.db2.gz YUHDSFXFBQJBRC-UHFFFAOYSA-N 0 0 453.591 4.565 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccn2C)n1CCc1nc(C(F)(F)F)cs1 ZINC001360936963 1066096381 /nfs/dbraw/zinc/09/63/81/1066096381.db2.gz IBGAGGWZBWMJHL-UHFFFAOYSA-N 0 0 450.490 4.539 20 0 JJADRN Cc1ccc(CCC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001442120254 1066096476 /nfs/dbraw/zinc/09/64/76/1066096476.db2.gz PPHYZGZYTJNQKZ-QGZVFWFLSA-N 0 0 453.421 4.796 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccnc2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001360937410 1066096764 /nfs/dbraw/zinc/09/67/64/1066096764.db2.gz RBLHQESLEADUDT-UHFFFAOYSA-N 0 0 464.957 4.869 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(OC)ccc1Br ZINC001360937507 1066096863 /nfs/dbraw/zinc/09/68/63/1066096863.db2.gz LZSXIZKRADVTIN-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1cc(Br)c(C)cc1Br)C[C@@H](C)O2 ZINC001360938435 1066097124 /nfs/dbraw/zinc/09/71/24/1066097124.db2.gz UXAQPGLXAPMJAE-LLVKDONJSA-N 0 0 455.146 4.956 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1 ZINC001442127384 1066097293 /nfs/dbraw/zinc/09/72/93/1066097293.db2.gz WKLHEVIBFKWLTR-UHFFFAOYSA-N 0 0 454.296 4.618 20 0 JJADRN COc1ccc(C2(CNC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)CCCCC2)cc1 ZINC001442128444 1066097377 /nfs/dbraw/zinc/09/73/77/1066097377.db2.gz FHIXVPWSKPUIHF-UHFFFAOYSA-N 0 0 450.579 4.757 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cnc(Br)cn1 ZINC001360939755 1066097574 /nfs/dbraw/zinc/09/75/74/1066097574.db2.gz ZWAZGCPBQQOTRL-UHFFFAOYSA-N 0 0 457.712 4.500 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2c(Br)nc3n2CCCC3)c2ccc(F)cc2)cc1 ZINC001442147425 1066097659 /nfs/dbraw/zinc/09/76/59/1066097659.db2.gz GUCDYNOJQUCCDZ-IBGZPJMESA-N 0 0 458.331 4.649 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl)c1ccc(F)cc1 ZINC001442149540 1066097758 /nfs/dbraw/zinc/09/77/58/1066097758.db2.gz GVJOFMSYFDFMSG-HXUWFJFHSA-N 0 0 456.905 4.664 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360940565 1066097881 /nfs/dbraw/zinc/09/78/81/1066097881.db2.gz HEYFFRNASWUWBK-FQEVSTJZSA-N 0 0 467.570 4.715 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2=CCCCC2)cnn1C ZINC001360941063 1066097935 /nfs/dbraw/zinc/09/79/35/1066097935.db2.gz MGBQBSSTVCDJMC-QFIPXVFZSA-N 0 0 497.688 4.961 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001442153307 1066097994 /nfs/dbraw/zinc/09/79/94/1066097994.db2.gz OXJVQLZHGWNFOX-OAHLLOKOSA-N 0 0 457.290 4.533 20 0 JJADRN Nc1c(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cccc1C(F)(F)F ZINC001442153500 1066098045 /nfs/dbraw/zinc/09/80/45/1066098045.db2.gz PRSVPQYZBOMIOI-OAHLLOKOSA-N 0 0 455.436 4.615 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)o1 ZINC001360942435 1066098131 /nfs/dbraw/zinc/09/81/31/1066098131.db2.gz PVVKBWBFMKCAIE-JXFKEZNVSA-N 0 0 450.576 4.625 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001360942028 1066098319 /nfs/dbraw/zinc/09/83/19/1066098319.db2.gz DRJXQIIIQZCRAZ-QGZVFWFLSA-N 0 0 452.251 4.592 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC001360942260 1066098357 /nfs/dbraw/zinc/09/83/57/1066098357.db2.gz KZIUNKBSCNGXMP-WMZHIEFXSA-N 0 0 458.624 4.559 20 0 JJADRN Cc1ccccc1C1(CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001442162238 1066098298 /nfs/dbraw/zinc/09/82/98/1066098298.db2.gz FYEYEAMNFVLOGR-NRFANRHFSA-N 0 0 458.643 4.833 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001360942510 1066098650 /nfs/dbraw/zinc/09/86/50/1066098650.db2.gz RQSWAIBZVPAISO-ZDUSSCGKSA-N 0 0 451.748 4.663 20 0 JJADRN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC001442175910 1066099277 /nfs/dbraw/zinc/09/92/77/1066099277.db2.gz SWKOFMOPXYFKBT-QFIPXVFZSA-N 0 0 452.501 4.762 20 0 JJADRN O=C(CCCCN1CCOCC1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC001442183730 1066099575 /nfs/dbraw/zinc/09/95/75/1066099575.db2.gz HEWNZJJPTCXAMA-UHFFFAOYSA-N 0 0 450.501 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCc3ccc(Br)s3)CC2)CC1 ZINC001442186430 1066099901 /nfs/dbraw/zinc/09/99/01/1066099901.db2.gz QBJUAEINWPKUOE-UHFFFAOYSA-N 0 0 457.434 4.597 20 0 JJADRN Cc1cc2c(o1)c(C(=O)NCc1cccc(NC(=O)[C@H]3CCCO3)c1)ccc2Br ZINC001442186853 1066100099 /nfs/dbraw/zinc/10/00/99/1066100099.db2.gz QUNXEFUYLNYLPV-LJQANCHMSA-N 0 0 457.324 4.551 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c(C(F)F)n1 ZINC001442189429 1066100692 /nfs/dbraw/zinc/10/06/92/1066100692.db2.gz VYYCCDYXZNVBDW-UHFFFAOYSA-N 0 0 451.315 4.919 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccncc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360946446 1066101296 /nfs/dbraw/zinc/10/12/96/1066101296.db2.gz JRQDMYWYNGOVLZ-HSZRJFAPSA-N 0 0 494.640 4.981 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442207838 1066102035 /nfs/dbraw/zinc/10/20/35/1066102035.db2.gz NQRYCKLFAZZYNI-INIZCTEOSA-N 0 0 452.904 4.912 20 0 JJADRN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001442207261 1066102042 /nfs/dbraw/zinc/10/20/42/1066102042.db2.gz LICUJJZMKCVXAP-HXUWFJFHSA-N 0 0 457.448 4.660 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001360947375 1066102278 /nfs/dbraw/zinc/10/22/78/1066102278.db2.gz JPGYQTKDMUYSLZ-AZUAARDMSA-N 0 0 455.628 4.506 20 0 JJADRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442212572 1066102369 /nfs/dbraw/zinc/10/23/69/1066102369.db2.gz VNGWKRDEDJMMEI-UHFFFAOYSA-N 0 0 457.958 4.520 20 0 JJADRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cccc4cc(O)ccc43)cc2)c1 ZINC001442216213 1066103211 /nfs/dbraw/zinc/10/32/11/1066103211.db2.gz PPVPXVGVEDEIGU-UHFFFAOYSA-N 0 0 454.526 4.844 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC001360947699 1066103179 /nfs/dbraw/zinc/10/31/79/1066103179.db2.gz WDPNINGRBLYOGQ-OZXSUGGESA-N 0 0 478.685 4.973 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC2CCOCC2)cnn1C ZINC001360949292 1066103647 /nfs/dbraw/zinc/10/36/47/1066103647.db2.gz BIFHKSRTMFBRJI-UHFFFAOYSA-N 0 0 480.657 4.650 20 0 JJADRN COc1ccc(C(=O)CCC(=O)NCC2(c3ccc(F)cc3)CCCCC2)c(OC)c1OC 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HCBBURVQXKUIIH-JOCHJYFZSA-N 0 0 454.368 4.522 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001442259497 1066109503 /nfs/dbraw/zinc/10/95/03/1066109503.db2.gz JDRMMFVFGQLHHN-RBBKRZOGSA-N 0 0 454.615 4.839 20 0 JJADRN CCOc1c(Cl)cccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001442264060 1066110143 /nfs/dbraw/zinc/11/01/43/1066110143.db2.gz VGVXWLQWNRLSPE-MNEFBYGVSA-N 0 0 452.979 4.872 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001442265316 1066110226 /nfs/dbraw/zinc/11/02/26/1066110226.db2.gz SFYLRASFYVGTIL-OAQYLSRUSA-N 0 0 454.615 4.793 20 0 JJADRN Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1Cc1cnn(CC(C)C)c1C ZINC001360955551 1066111417 /nfs/dbraw/zinc/11/14/17/1066111417.db2.gz FCYZFQHLZHDODT-FQEVSTJZSA-N 0 0 463.399 4.705 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC(C)(C)OC[C@@H]2C)cnn1CC(C)C ZINC001360955456 1066111435 /nfs/dbraw/zinc/11/14/35/1066111435.db2.gz DHAGVFLEZLSODC-AZUAARDMSA-N 0 0 484.620 4.770 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)CC1=O ZINC001360954991 1066111445 /nfs/dbraw/zinc/11/14/45/1066111445.db2.gz HJLIQTSRTDAEPJ-HYBUGGRVSA-N 0 0 450.579 4.585 20 0 JJADRN CCC(CC)N1C[C@@H](C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)CC1=O ZINC001360954992 1066111483 /nfs/dbraw/zinc/11/14/83/1066111483.db2.gz HJLIQTSRTDAEPJ-RDPSFJRHSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1ccsc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCNC(=O)C(C)C ZINC001360956550 1066112802 /nfs/dbraw/zinc/11/28/02/1066112802.db2.gz NJAWQTIQTCLNOQ-QGZVFWFLSA-N 0 0 476.046 4.698 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001360957008 1066113568 /nfs/dbraw/zinc/11/35/68/1066113568.db2.gz UQWLBGWJDNKNRI-MSOLQXFVSA-N 0 0 488.057 4.773 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001442301451 1066114090 /nfs/dbraw/zinc/11/40/90/1066114090.db2.gz JOJWGPIFNZGZIO-DEOSSOPVSA-N 0 0 454.998 4.963 20 0 JJADRN 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1066115085 /nfs/dbraw/zinc/11/50/85/1066115085.db2.gz IKIBKLPOCUYQPC-UHFFFAOYSA-N 0 0 488.455 4.608 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360958503 1066115112 /nfs/dbraw/zinc/11/51/12/1066115112.db2.gz OVEGXILPUKESDQ-GOSISDBHSA-N 0 0 461.429 4.987 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360959104 1066116261 /nfs/dbraw/zinc/11/62/61/1066116261.db2.gz ZPQBHLGTXOBWRT-CQSZACIVSA-N 0 0 463.351 4.800 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(-c3c(F)cccc3F)no2)c(OCC(F)(F)F)c1 ZINC001360959195 1066116306 /nfs/dbraw/zinc/11/63/06/1066116306.db2.gz RPTVOAMXRONLOH-UHFFFAOYSA-N 0 0 456.323 4.600 20 0 JJADRN COc1cc(/C=C(/C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)ccc1O ZINC001442336465 1066117488 /nfs/dbraw/zinc/11/74/88/1066117488.db2.gz NQQOKDKDFBJWLA-FEQHDXENSA-N 0 0 456.542 4.946 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC001442335537 1066117633 /nfs/dbraw/zinc/11/76/33/1066117633.db2.gz 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CCC1CCC(N(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C2CC2)CC1 ZINC001442359276 1066119769 /nfs/dbraw/zinc/11/97/69/1066119769.db2.gz VLCOVGPNYGLSAB-UHFFFAOYSA-N 0 0 456.631 4.712 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360960793 1066120719 /nfs/dbraw/zinc/12/07/19/1066120719.db2.gz ZYPOEGLSQJFFHT-UHFFFAOYSA-N 0 0 455.937 4.701 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C ZINC001360961945 1066121185 /nfs/dbraw/zinc/12/11/85/1066121185.db2.gz VIZWBNNMEVBNLW-UHFFFAOYSA-N 0 0 452.363 4.760 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001360962497 1066122254 /nfs/dbraw/zinc/12/22/54/1066122254.db2.gz HNOZPTGTDZDUDF-KRWDZBQOSA-N 0 0 491.455 4.756 20 0 JJADRN Cc1c(Cn2c(-c3ccccc3Cl)nnc2N(C)Cc2ncc(Cl)n2C)cnn1CC(C)C ZINC001360962809 1066122359 /nfs/dbraw/zinc/12/23/59/1066122359.db2.gz ROYYJMBCQBSOCM-UHFFFAOYSA-N 0 0 487.439 4.831 20 0 JJADRN CCCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H](C)c1ccccc1OC ZINC001442395750 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JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)o1 ZINC001360969519 1066126438 /nfs/dbraw/zinc/12/64/38/1066126438.db2.gz VCPXCNJYEGXCKP-XWQURZDVSA-N 0 0 458.624 4.868 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001360971478 1066127366 /nfs/dbraw/zinc/12/73/66/1066127366.db2.gz BNNIALYVKYOZEN-UHFFFAOYSA-N 0 0 483.657 4.705 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001360971983 1066128168 /nfs/dbraw/zinc/12/81/68/1066128168.db2.gz YVWFNYWLTQRLPB-MSOLQXFVSA-N 0 0 487.626 4.795 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cnn1CC(C)C ZINC001360972396 1066128409 /nfs/dbraw/zinc/12/84/09/1066128409.db2.gz XJAKPZUMXSTXKX-IBGZPJMESA-N 0 0 470.584 4.624 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3OC(C)C)n[nH]2)c1C ZINC001442466782 1066128421 /nfs/dbraw/zinc/12/84/21/1066128421.db2.gz CFVAZHIHCYTIPO-AWEZNQCLSA-N 0 0 453.543 4.687 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(CC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360972359 1066128528 /nfs/dbraw/zinc/12/85/28/1066128528.db2.gz WEQLXZFRTUGACW-UHFFFAOYSA-N 0 0 458.578 4.944 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360972490 1066128546 /nfs/dbraw/zinc/12/85/46/1066128546.db2.gz ANCOFEIXVDZCGS-UHFFFAOYSA-N 0 0 471.577 4.776 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001360972861 1066129161 /nfs/dbraw/zinc/12/91/61/1066129161.db2.gz NZJCNUSHNVHWLY-GOSISDBHSA-N 0 0 472.058 4.634 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360972709 1066129200 /nfs/dbraw/zinc/12/92/00/1066129200.db2.gz IQYUUGBHPOOVFE-HXUWFJFHSA-N 0 0 485.629 4.920 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2CCS[C@@H](C(C)C)C2)cnn1CC(C)C ZINC001360973056 1066129690 /nfs/dbraw/zinc/12/96/90/1066129690.db2.gz VPTZWHACKJKZSS-HSZRJFAPSA-N 0 0 488.652 4.934 20 0 JJADRN CC[C@H](C)N(CCc1ccccc1F)C(=O)c1cc(F)cc(I)c1N ZINC001442474227 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/nfs/dbraw/zinc/13/11/31/1066131131.db2.gz WTUIONKUUUXFSW-PXNSSMCTSA-N 0 0 485.629 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)N(Cc3ccco3)CC(F)(F)F)cccc2C1 ZINC001442499642 1066131422 /nfs/dbraw/zinc/13/14/22/1066131422.db2.gz JQIPYKXXEMPNKA-UHFFFAOYSA-N 0 0 452.473 4.706 20 0 JJADRN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001442499781 1066131430 /nfs/dbraw/zinc/13/14/30/1066131430.db2.gz XLVWNLNUPZWLDV-SANMLTNESA-N 0 0 451.567 4.769 20 0 JJADRN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001442498300 1066131491 /nfs/dbraw/zinc/13/14/91/1066131491.db2.gz BTVSUICHWBQLEF-UHFFFAOYSA-N 0 0 457.939 4.861 20 0 JJADRN COc1ccc(I)c(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC001442527182 1066132984 /nfs/dbraw/zinc/13/29/84/1066132984.db2.gz UAAXXCWFNAUNOS-LLVKDONJSA-N 0 0 457.695 4.801 20 0 JJADRN Cc1nnsc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F ZINC001360977013 1066133704 /nfs/dbraw/zinc/13/37/04/1066133704.db2.gz BJSJMULPJYNWFH-UHFFFAOYSA-N 0 0 462.954 4.821 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360977011 1066133781 /nfs/dbraw/zinc/13/37/81/1066133781.db2.gz BJCDNZHXMMBVQA-KURKYZTESA-N 0 0 455.559 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(NC(=O)N3CCCCCC3)cc1)C2 ZINC001442534839 1066133760 /nfs/dbraw/zinc/13/37/60/1066133760.db2.gz XNEDLVNPLBKDAB-HKBOAZHASA-N 0 0 456.587 4.821 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC001442535022 1066133788 /nfs/dbraw/zinc/13/37/88/1066133788.db2.gz YSWZJFBNZOONAQ-UHFFFAOYSA-N 0 0 450.583 4.502 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC001442538830 1066134273 /nfs/dbraw/zinc/13/42/73/1066134273.db2.gz FEFCHCXTLQTSNX-MOPGFXCFSA-N 0 0 451.405 4.772 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N(C)CCC(F)(F)F)cnn1CC(C)C ZINC001360977238 1066134694 /nfs/dbraw/zinc/13/46/94/1066134694.db2.gz JMKJAKJZVQXHLM-UHFFFAOYSA-N 0 0 468.499 4.594 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)OC1CCCC1 ZINC001360977261 1066134700 /nfs/dbraw/zinc/13/47/00/1066134700.db2.gz KMSQEIIIYPBABP-UHFFFAOYSA-N 0 0 469.398 4.683 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360977415 1066134762 /nfs/dbraw/zinc/13/47/62/1066134762.db2.gz PGXYIRZBGXZHPX-SFHVURJKSA-N 0 0 487.988 4.564 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](C)C2)cnn1CC(C)C ZINC001360977542 1066135135 /nfs/dbraw/zinc/13/51/35/1066135135.db2.gz UNBWYVGPIQMTFR-LJQANCHMSA-N 0 0 454.594 4.832 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)cnn1CC(C)C ZINC001360977566 1066135163 /nfs/dbraw/zinc/13/51/63/1066135163.db2.gz UZNGNDHCJQETHO-RTBURBONSA-N 0 0 454.594 4.688 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360977546 1066135235 /nfs/dbraw/zinc/13/52/35/1066135235.db2.gz UOZCBROGSVEZTO-HDICACEKSA-N 0 0 472.634 4.536 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)cnn1CC(C)C ZINC001360977577 1066135770 /nfs/dbraw/zinc/13/57/70/1066135770.db2.gz VNAUUSTZSAGBJI-UHFFFAOYSA-N 0 0 475.012 4.904 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC001360977932 1066135778 /nfs/dbraw/zinc/13/57/78/1066135778.db2.gz GUBMTJWZQVIPSS-UHFFFAOYSA-N 0 0 459.955 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(OC2CCOCC2)cc1 ZINC001442547997 1066135843 /nfs/dbraw/zinc/13/58/43/1066135843.db2.gz PCFMHAKGIHYRKE-XZOQPEGZSA-N 0 0 458.599 4.639 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@H](C)c2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978029 1066136023 /nfs/dbraw/zinc/13/60/23/1066136023.db2.gz JNVQCRCTYBAKMF-GKVSMKOHSA-N 0 0 455.551 4.637 20 0 JJADRN COc1ccc([C@H](NC(=O)c2sc(C(C)C)nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978342 1066136764 /nfs/dbraw/zinc/13/67/64/1066136764.db2.gz TZGXLTWKLCSXNS-FQEVSTJZSA-N 0 0 458.605 4.506 20 0 JJADRN COC(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001360978755 1066137110 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JIKQHXQLOWZNSH-CQSZACIVSA-N 0 0 453.391 4.654 20 0 JJADRN CC[C@@H](C)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545949967 1066138487 /nfs/dbraw/zinc/13/84/87/1066138487.db2.gz IOIDPSBQAYBCDS-MTWWTJSRSA-N 0 0 459.610 4.672 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360980654 1066138589 /nfs/dbraw/zinc/13/85/89/1066138589.db2.gz DPOWDKLYNJGDNX-LJQANCHMSA-N 0 0 483.060 4.672 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001360980580 1066138671 /nfs/dbraw/zinc/13/86/71/1066138671.db2.gz BBVKQVROWGPRHY-GOSISDBHSA-N 0 0 458.050 4.887 20 0 JJADRN O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001442566290 1066139001 /nfs/dbraw/zinc/13/90/01/1066139001.db2.gz HASAOPXZBKRVPL-UHFFFAOYSA-N 0 0 459.587 4.997 20 0 JJADRN Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1Cc1cccc(Cl)c1C ZINC001360980985 1066139061 /nfs/dbraw/zinc/13/90/61/1066139061.db2.gz INAGINIUNLCSGD-QGZVFWFLSA-N 0 0 459.381 4.500 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360980721 1066139066 /nfs/dbraw/zinc/13/90/66/1066139066.db2.gz FXWHNINHTSGWSO-LJQANCHMSA-N 0 0 475.659 4.631 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442573282 1066139617 /nfs/dbraw/zinc/13/96/17/1066139617.db2.gz SKQMVEXMKXQDQA-WFTPILKQSA-N 0 0 452.979 4.897 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCc2cc(C)cc(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981421 1066140010 /nfs/dbraw/zinc/14/00/10/1066140010.db2.gz NZULAPRQMJGSQN-AREMUKBSSA-N 0 0 451.588 4.554 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C(C)C)cc1 ZINC001360981569 1066140037 /nfs/dbraw/zinc/14/00/37/1066140037.db2.gz QIFWKEQTFDIJEH-XMSQKQJNSA-N 0 0 453.583 4.974 20 0 JJADRN COc1ccc([C@H](NC(=O)CCc2cc(C)cc(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981422 1066140109 /nfs/dbraw/zinc/14/01/09/1066140109.db2.gz NZULAPRQMJGSQN-SANMLTNESA-N 0 0 451.588 4.554 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc3c(Br)cnn3c2)cc1 ZINC001360981848 1066140663 /nfs/dbraw/zinc/14/06/63/1066140663.db2.gz XKJGNZDPRGKZBM-ZDUSSCGKSA-N 0 0 459.344 4.935 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442580121 1066140724 /nfs/dbraw/zinc/14/07/24/1066140724.db2.gz ZGESVPMDQSCLRQ-ZDUSSCGKSA-N 0 0 457.741 4.664 20 0 JJADRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC001442585621 1066140815 /nfs/dbraw/zinc/14/08/15/1066140815.db2.gz FVBYUZSPNFFNOJ-SFHVURJKSA-N 0 0 456.612 4.941 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC001360982015 1066141184 /nfs/dbraw/zinc/14/11/84/1066141184.db2.gz ZRTQRJJXDUOGJY-SFHVURJKSA-N 0 0 451.567 4.763 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360982100 1066141236 /nfs/dbraw/zinc/14/12/36/1066141236.db2.gz AKVPYQPPCISFEQ-LDQXTDLNSA-N 0 0 490.048 4.532 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360982102 1066141277 /nfs/dbraw/zinc/14/12/77/1066141277.db2.gz AKVPYQPPCISFEQ-SCWSEQNSSA-N 0 0 490.048 4.532 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)OC)C1 ZINC001442588269 1066141322 /nfs/dbraw/zinc/14/13/22/1066141322.db2.gz XDVBEQXZKPODHK-HXUWFJFHSA-N 0 0 450.579 4.689 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360982333 1066141553 /nfs/dbraw/zinc/14/15/53/1066141553.db2.gz JABMYNZRJZKBKL-FPOVZHCZSA-N 0 0 474.049 4.661 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360982288 1066141583 /nfs/dbraw/zinc/14/15/83/1066141583.db2.gz HVLACTZJYKPPAJ-OAHLLOKOSA-N 0 0 465.779 4.784 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC001442592475 1066141787 /nfs/dbraw/zinc/14/17/87/1066141787.db2.gz KRDAJVHBBFUQJU-UHFFFAOYSA-N 0 0 458.509 4.895 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCN(C(=O)OCC)CC1 ZINC001442593811 1066141826 /nfs/dbraw/zinc/14/18/26/1066141826.db2.gz AISZVZNFTJYRKP-UHFFFAOYSA-N 0 0 454.354 4.905 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360982403 1066142209 /nfs/dbraw/zinc/14/22/09/1066142209.db2.gz LANSSUUQQRWGTI-AWEZNQCLSA-N 0 0 471.936 4.904 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001360982715 1066142754 /nfs/dbraw/zinc/14/27/54/1066142754.db2.gz SXMWHGYTAFWCTL-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360982639 1066142818 /nfs/dbraw/zinc/14/28/18/1066142818.db2.gz QLLSMAJBODQPQB-HKARXFIJSA-N 0 0 465.063 4.659 20 0 JJADRN CC(C)(C)c1nc2cc(NC(=O)c3ccnc(Cl)c3I)ccc2[nH]1 ZINC001442606256 1066143964 /nfs/dbraw/zinc/14/39/64/1066143964.db2.gz DUUGZTFEPVBUNB-UHFFFAOYSA-N 0 0 454.699 4.766 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360983732 1066144132 /nfs/dbraw/zinc/14/41/32/1066144132.db2.gz HICVCSJVSZPUFJ-HXUWFJFHSA-N 0 0 471.005 4.515 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1C(F)(F)F ZINC001360983694 1066144197 /nfs/dbraw/zinc/14/41/97/1066144197.db2.gz VCCQVGMVAXDRME-HZPDHXFCSA-N 0 0 454.514 4.760 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360983805 1066144224 /nfs/dbraw/zinc/14/42/24/1066144224.db2.gz IVAGLCOZTNCCQV-MRXNPFEDSA-N 0 0 485.938 4.694 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001442606956 1066144265 /nfs/dbraw/zinc/14/42/65/1066144265.db2.gz DBISDLMXSDEWBB-YBOAYWMSSA-N 0 0 453.421 4.970 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=CCC1 ZINC001360984062 1066144851 /nfs/dbraw/zinc/14/48/51/1066144851.db2.gz LZFFRWCFMPBBAH-XMSQKQJNSA-N 0 0 472.033 4.954 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001360984075 1066144931 /nfs/dbraw/zinc/14/49/31/1066144931.db2.gz MDJXAFPVYLCZOX-IIBYNOLFSA-N 0 0 474.049 4.861 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1C ZINC001442609872 1066144899 /nfs/dbraw/zinc/14/48/99/1066144899.db2.gz ONSSGZZZZWZVDC-OALUTQOASA-N 0 0 454.615 4.634 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360984171 1066145276 /nfs/dbraw/zinc/14/52/76/1066145276.db2.gz OKMRDYISVZXMLV-QGZVFWFLSA-N 0 0 474.943 4.812 20 0 JJADRN O=Cc1ccc(OCC(=O)Nc2cccc(CSc3ccccn3)c2)c(Br)c1 ZINC001442616077 1066145328 /nfs/dbraw/zinc/14/53/28/1066145328.db2.gz WWMUMOLCGAHCRR-UHFFFAOYSA-N 0 0 457.349 4.966 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cs1 ZINC001442616883 1066145337 /nfs/dbraw/zinc/14/53/37/1066145337.db2.gz NNFRQFGOKZICMO-OAHLLOKOSA-N 0 0 454.017 4.717 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C ZINC001360984366 1066146271 /nfs/dbraw/zinc/14/62/71/1066146271.db2.gz ULLPVGVFXDBKTN-NQIIRXRSSA-N 0 0 455.647 4.863 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001360984523 1066146739 /nfs/dbraw/zinc/14/67/39/1066146739.db2.gz ZRTZRCXCXAGRKI-RTWAWAEBSA-N 0 0 460.022 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)OCc2ccc(Br)cc2Cl)C1 ZINC001360984915 1066146742 /nfs/dbraw/zinc/14/67/42/1066146742.db2.gz LBDIQEJMIJGZFA-IAQYHMDHSA-N 0 0 450.732 4.741 20 0 JJADRN CCN(C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)c1ccc2ccccc2c1 ZINC001442648994 1066146820 /nfs/dbraw/zinc/14/68/20/1066146820.db2.gz NZXLZQVQNSLDJU-UHFFFAOYSA-N 0 0 459.550 4.616 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1)NC(=O)OC(C)(C)C ZINC001545950566 1066146915 /nfs/dbraw/zinc/14/69/15/1066146915.db2.gz RULBUDQZSGIYOV-JOCHJYFZSA-N 0 0 485.673 4.587 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCc1ccsc1 ZINC001360985424 1066147165 /nfs/dbraw/zinc/14/71/65/1066147165.db2.gz AEXJVGWELSMOEO-HXUWFJFHSA-N 0 0 453.612 4.516 20 0 JJADRN Cc1ccc(C2=CCN(C(=O)c3cnn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)CC2)cc1 ZINC001442657549 1066147436 /nfs/dbraw/zinc/14/74/36/1066147436.db2.gz PZRXDZOSCYVWGX-QHCPKHFHSA-N 0 0 450.583 4.693 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)C1 ZINC001442655590 1066147551 /nfs/dbraw/zinc/14/75/51/1066147551.db2.gz BXECSJJOICOPCI-IEBWSBKVSA-N 0 0 451.449 4.870 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CCCOC1CCCCC1 ZINC001360985671 1066148474 /nfs/dbraw/zinc/14/84/74/1066148474.db2.gz IOEYLFMYRUGSID-UHFFFAOYSA-N 0 0 464.614 4.704 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360985992 1066149628 /nfs/dbraw/zinc/14/96/28/1066149628.db2.gz QXIGQADYIBBBEY-LJQANCHMSA-N 0 0 485.583 4.586 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442668883 1066149967 /nfs/dbraw/zinc/14/99/67/1066149967.db2.gz RCXJTKMNARBRHA-SFHVURJKSA-N 0 0 458.274 4.533 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360986242 1066150210 /nfs/dbraw/zinc/15/02/10/1066150210.db2.gz YICRPKOVWFNHPD-CVDCTZTESA-N 0 0 476.625 4.627 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360986303 1066150909 /nfs/dbraw/zinc/15/09/09/1066150909.db2.gz AHEALPPDTNEWFH-CTNGQTDRSA-N 0 0 487.048 4.756 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3c(ccc(Br)c3C)[nH]2)cc1 ZINC001442677522 1066151321 /nfs/dbraw/zinc/15/13/21/1066151321.db2.gz MNGODGPNOXHOKY-IBGZPJMESA-N 0 0 458.381 4.701 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)(F)C2)n1CCC(=O)N(C)C ZINC001360986453 1066152045 /nfs/dbraw/zinc/15/20/45/1066152045.db2.gz DELAWZADVMAFGN-INIZCTEOSA-N 0 0 483.991 4.648 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001442702948 1066152571 /nfs/dbraw/zinc/15/25/71/1066152571.db2.gz MXNCLKMLLLEBFY-UHFFFAOYSA-N 0 0 456.153 4.841 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001360986583 1066152681 /nfs/dbraw/zinc/15/26/81/1066152681.db2.gz HGKXXWZYOFWYSU-QHCPKHFHSA-N 0 0 460.626 4.757 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cccs2)n1C[C@@]1(C)CN(C)C1=O ZINC001360986630 1066153272 /nfs/dbraw/zinc/15/32/72/1066153272.db2.gz ISJOSRSKOMAIMI-BXKMTCNYSA-N 0 0 488.057 4.865 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1COCCO1 ZINC001360986607 1066153278 /nfs/dbraw/zinc/15/32/78/1066153278.db2.gz IHFPHGMPXXHUBY-WIYYLYMNSA-N 0 0 474.989 4.642 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cs1)C(N)=O ZINC001442709174 1066153613 /nfs/dbraw/zinc/15/36/13/1066153613.db2.gz OBONIFIPMVQPOW-MGPUTAFESA-N 0 0 454.621 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@H]1OCCC1(C)C ZINC001360986649 1066153673 /nfs/dbraw/zinc/15/36/73/1066153673.db2.gz JDZKHTOCQQFRQJ-RLLQIKCJSA-N 0 0 463.022 4.729 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCSCC1 ZINC001442710388 1066154302 /nfs/dbraw/zinc/15/43/02/1066154302.db2.gz WIRGJSSLSJESIO-HSZRJFAPSA-N 0 0 452.620 4.905 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2nccs2)n1Cc1cnn(C)c1 ZINC001360986832 1066155286 /nfs/dbraw/zinc/15/52/86/1066155286.db2.gz NHDAZFPLXSBNBT-INIZCTEOSA-N 0 0 472.018 4.563 20 0 JJADRN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718682 1066155345 /nfs/dbraw/zinc/15/53/45/1066155345.db2.gz PBENSJRVEPNOEQ-FQEVSTJZSA-N 0 0 456.999 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 ZINC001360986915 1066155605 /nfs/dbraw/zinc/15/56/05/1066155605.db2.gz OXEJIVLDLGIFAG-GOSISDBHSA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)s1 ZINC001360986894 1066155671 /nfs/dbraw/zinc/15/56/71/1066155671.db2.gz OMRWOLUOMBJJEB-QGZVFWFLSA-N 0 0 460.003 4.585 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCOC[C@@H]1C ZINC001360986946 1066155996 /nfs/dbraw/zinc/15/59/96/1066155996.db2.gz PZHHVJCZMVHGRH-QKNQBKEWSA-N 0 0 487.048 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1C ZINC001360986947 1066156059 /nfs/dbraw/zinc/15/60/59/1066156059.db2.gz PZHHVJCZMVHGRH-SBHAEUEKSA-N 0 0 487.048 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC001442727707 1066156120 /nfs/dbraw/zinc/15/61/20/1066156120.db2.gz XWSILWTWOUCDAK-IQGLISFBSA-N 0 0 453.587 4.745 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(C)O ZINC001360987059 1066156699 /nfs/dbraw/zinc/15/66/99/1066156699.db2.gz RMXCMNNBGCGPGA-IBGZPJMESA-N 0 0 489.064 4.836 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1[C@H]1C[C@H]1C ZINC001360987072 1066156742 /nfs/dbraw/zinc/15/67/42/1066156742.db2.gz RQXJATVWWGHCBW-FZWVUDROSA-N 0 0 469.051 4.527 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360987146 1066156942 /nfs/dbraw/zinc/15/69/42/1066156942.db2.gz TWQBHYYGGMRMIF-GBXCKJPGSA-N 0 0 490.652 4.551 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@H]1CCC[C@@H]1C ZINC001360987186 1066157603 /nfs/dbraw/zinc/15/76/03/1066157603.db2.gz UMZTZPXBXVLYLC-JEDBISTDSA-N 0 0 462.038 4.825 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1C[C@@H]1C ZINC001360987193 1066157607 /nfs/dbraw/zinc/15/76/07/1066157607.db2.gz UOTOQUNWWNPLKS-QHWILLEASA-N 0 0 483.078 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H]1C[C@@H]1C ZINC001360987192 1066157626 /nfs/dbraw/zinc/15/76/26/1066157626.db2.gz UOTOQUNWWNPLKS-LRMKFPBYSA-N 0 0 483.078 4.602 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@@H]1CCC[C@@H]1C ZINC001360987187 1066157633 /nfs/dbraw/zinc/15/76/33/1066157633.db2.gz UMZTZPXBXVLYLC-PIKADFDJSA-N 0 0 462.038 4.825 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)c2)c1 ZINC001442763067 1066158265 /nfs/dbraw/zinc/15/82/65/1066158265.db2.gz ZOLRCYSAXOIRKY-UHFFFAOYSA-N 0 0 458.558 4.850 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)CNC(=O)c3ccccc3C(F)(F)F)cc2)cc1 ZINC001442764151 1066158582 /nfs/dbraw/zinc/15/85/82/1066158582.db2.gz ORNCJIJJFBUVSL-UHFFFAOYSA-N 0 0 456.420 4.602 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC001442764365 1066158613 /nfs/dbraw/zinc/15/86/13/1066158613.db2.gz PIHWUWVHNMNPCV-IDISGSTGSA-N 0 0 456.586 4.738 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCC1)NC(=O)OC(C)(C)C ZINC001545951757 1066158632 /nfs/dbraw/zinc/15/86/32/1066158632.db2.gz CCJPGQQSRSYZMQ-VQTJNVASSA-N 0 0 457.619 4.938 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3Cc4cc(Br)ccc4O3)cc2)cc1 ZINC001442766190 1066158651 /nfs/dbraw/zinc/15/86/51/1066158651.db2.gz UKFCVRXTGVAHEL-OAQYLSRUSA-N 0 0 452.304 4.919 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001442768702 1066159024 /nfs/dbraw/zinc/15/90/24/1066159024.db2.gz RJMYOVMMWQFJMK-FQEVSTJZSA-N 0 0 457.640 4.556 20 0 JJADRN Cc1cc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)c2cc1C ZINC001360988328 1066159083 /nfs/dbraw/zinc/15/90/83/1066159083.db2.gz AOXRHBYDCNWOCY-QFIPXVFZSA-N 0 0 455.480 4.754 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1[C@@H]1C[C@@H]1C ZINC001360989235 1066160059 /nfs/dbraw/zinc/16/00/59/1066160059.db2.gz BFEIOSQGOHLZMJ-JNAXZKDPSA-N 0 0 460.022 4.751 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CC[C@@H](C)C1 ZINC001360989295 1066160090 /nfs/dbraw/zinc/16/00/90/1066160090.db2.gz CEEZZQZUZDAATH-NSISKUIASA-N 0 0 497.105 4.995 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCc2cccs2)n1CCC(=O)N(C)C ZINC001360989355 1066160690 /nfs/dbraw/zinc/16/06/90/1066160690.db2.gz CZQLFVPWISUTTB-GOSISDBHSA-N 0 0 490.073 4.907 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CCOC(C)(C)C ZINC001360989589 1066162080 /nfs/dbraw/zinc/16/20/80/1066162080.db2.gz HOKXHKDYKKGEPN-BHIYHBOVSA-N 0 0 493.004 4.618 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1=CCCCC1 ZINC001360989646 1066162836 /nfs/dbraw/zinc/16/28/36/1066162836.db2.gz IHKLOPOMYFWPNR-RTBURBONSA-N 0 0 472.033 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCSCCCO ZINC001360989709 1066163196 /nfs/dbraw/zinc/16/31/96/1066163196.db2.gz JRQDBKLGJXEYNB-RLLQIKCJSA-N 0 0 479.090 4.896 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1CCCNC(=O)C(C)C ZINC001360989696 1066163212 /nfs/dbraw/zinc/16/32/12/1066163212.db2.gz JKHKWRHPZNMBCZ-LJQANCHMSA-N 0 0 460.022 4.617 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(=O)NCC(F)F ZINC001360989746 1066163483 /nfs/dbraw/zinc/16/34/83/1066163483.db2.gz KGMFYEHQRJCIAC-XOKHGSTOSA-N 0 0 483.991 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@H](C)N1CCOCC1 ZINC001360989797 1066163867 /nfs/dbraw/zinc/16/38/67/1066163867.db2.gz KXVQADAJKNKMSU-AGOPTVSRSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CCC(C)(C)O ZINC001360989790 1066163953 /nfs/dbraw/zinc/16/39/53/1066163953.db2.gz KUTBGZMMEDFSET-DFBJGRDBSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC3(COC(=O)N3)CC2)n1CCC(C)(F)F ZINC001360989960 1066164522 /nfs/dbraw/zinc/16/45/22/1066164522.db2.gz NTTBOGXPEREQAW-MRXNPFEDSA-N 0 0 497.974 4.812 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1CCCC1 ZINC001360989913 1066164544 /nfs/dbraw/zinc/16/45/44/1066164544.db2.gz NASVGPFZNKFCKF-ROUUACIJSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCc1ccsc1 ZINC001360989938 1066164564 /nfs/dbraw/zinc/16/45/64/1066164564.db2.gz NKYXTVGZBYSCGH-MZNJEOGPSA-N 0 0 488.057 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@]1(O)CCOC1 ZINC001360989996 1066164925 /nfs/dbraw/zinc/16/49/25/1066164925.db2.gz OIOWHDOSZLJSRP-UMEGOILYSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC(C)(C)C(F)(F)F ZINC001360990027 1066165162 /nfs/dbraw/zinc/16/51/62/1066165162.db2.gz PAMBEZUATHSYIK-HUUCEWRRSA-N 0 0 487.954 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccoc1 ZINC001360990036 1066165227 /nfs/dbraw/zinc/16/52/27/1066165227.db2.gz PCUCXSNVTREVKX-SFHVURJKSA-N 0 0 474.005 4.538 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1Cc1ccc(C)n(C)c1=O ZINC001360990080 1066165622 /nfs/dbraw/zinc/16/56/22/1066165622.db2.gz PRESSZNGAIXHEO-LJQANCHMSA-N 0 0 468.001 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001360990061 1066165681 /nfs/dbraw/zinc/16/56/81/1066165681.db2.gz PMCCNYZRLNOGJX-GOSISDBHSA-N 0 0 497.043 4.857 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCCCCO ZINC001360990071 1066165713 /nfs/dbraw/zinc/16/57/13/1066165713.db2.gz POOAEPUWOBDZFX-PMACEKPBSA-N 0 0 487.048 4.578 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1=CCCCC1 ZINC001360990134 1066165830 /nfs/dbraw/zinc/16/58/30/1066165830.db2.gz QCCSKZMMDUWGTG-UYAOXDASSA-N 0 0 472.033 4.890 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@]1(O)CCSC1 ZINC001360990143 1066165861 /nfs/dbraw/zinc/16/58/61/1066165861.db2.gz QGXSWTVDEQKSRW-HOOSLVGPSA-N 0 0 495.089 4.560 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360990176 1066166245 /nfs/dbraw/zinc/16/62/45/1066166245.db2.gz QRGSHAWBKAAZIJ-QKNQBKEWSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360990178 1066166278 /nfs/dbraw/zinc/16/62/78/1066166278.db2.gz QRGSHAWBKAAZIJ-SVFBPWRDSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCC(C)C ZINC001360990225 1066166491 /nfs/dbraw/zinc/16/64/91/1066166491.db2.gz RLHBAYWYSQTYTH-DYXWJJEUSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1([S@](C)=O)CC1 ZINC001360990270 1066167060 /nfs/dbraw/zinc/16/70/60/1066167060.db2.gz RWVRWANUOACEOI-SQOKJGLVSA-N 0 0 465.063 4.692 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CO)CC2)n1CCc1cccnc1 ZINC001360990273 1066167066 /nfs/dbraw/zinc/16/70/66/1066167066.db2.gz RYMCCMDAPGAONR-IBGZPJMESA-N 0 0 470.017 4.535 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1CC1CCCC1 ZINC001360990285 1066167287 /nfs/dbraw/zinc/16/72/87/1066167287.db2.gz SCEWBNGIECJTKL-FQEVSTJZSA-N 0 0 476.065 4.647 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001360990428 1066167513 /nfs/dbraw/zinc/16/75/13/1066167513.db2.gz VMEMUUZQHLJGDP-JMUQELJHSA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CCCO1 ZINC001360990481 1066167742 /nfs/dbraw/zinc/16/77/42/1066167742.db2.gz WDCBBOFWGHMWHR-SIKLNZKXSA-N 0 0 477.049 4.856 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360990443 1066167794 /nfs/dbraw/zinc/16/77/94/1066167794.db2.gz VQYFAZZEBCKPNZ-UXLLHSPISA-N 0 0 477.034 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001360990537 1066167952 /nfs/dbraw/zinc/16/79/52/1066167952.db2.gz XAAALBKPJJRVIT-YWSCFKBXSA-N 0 0 477.049 4.711 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC1CC1 ZINC001360990589 1066168245 /nfs/dbraw/zinc/16/82/45/1066168245.db2.gz XRSQNJYTTJINHF-GHTZIAJQSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCCCO ZINC001360990601 1066168462 /nfs/dbraw/zinc/16/84/62/1066168462.db2.gz XWNKDNCUYBAEAI-RBUKOAKNSA-N 0 0 465.038 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCOC(C)(C)C ZINC001360990618 1066168482 /nfs/dbraw/zinc/16/84/82/1066168482.db2.gz YFJNJWNBFMQEST-OALUTQOASA-N 0 0 492.064 4.595 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCOC(C)(C)C ZINC001360990619 1066168509 /nfs/dbraw/zinc/16/85/09/1066168509.db2.gz YFJNJWNBFMQEST-RBUKOAKNSA-N 0 0 492.064 4.595 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001360990732 1066168723 /nfs/dbraw/zinc/16/87/23/1066168723.db2.gz CIIFKVLICHTKOI-DSJWGCTQSA-N 0 0 454.998 4.833 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)CCOCc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001360990720 1066168741 /nfs/dbraw/zinc/16/87/41/1066168741.db2.gz BTMRWOKQFQRQDQ-DEOSSOPVSA-N 0 0 457.979 4.556 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)CC2)n1CCCN1CCOC1=O ZINC001360990832 1066168973 /nfs/dbraw/zinc/16/89/73/1066168973.db2.gz ZTLVBLZGSCZDCA-QGZVFWFLSA-N 0 0 497.974 4.766 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360991123 1066169472 /nfs/dbraw/zinc/16/94/72/1066169472.db2.gz MGIYLXSPVMASBI-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN COc1ccc(CCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360991124 1066169491 /nfs/dbraw/zinc/16/94/91/1066169491.db2.gz MGIYLXSPVMASBI-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN Cc1csc(-c2cccc(C(=O)N3CCN(C(=O)Cc4cccc(Cl)c4)[C@@H](C)C3)c2)n1 ZINC001360991190 1066169501 /nfs/dbraw/zinc/16/95/01/1066169501.db2.gz OEPMJQSYMGDZFZ-KRWDZBQOSA-N 0 0 453.995 4.688 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1[C@H]1C[C@@H]1C ZINC001360991650 1066170259 /nfs/dbraw/zinc/17/02/59/1066170259.db2.gz DQZOFWRFVZIGHP-CVAIRZPRSA-N 0 0 474.049 4.964 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@H]2C)n1CCOC(C)(C)C ZINC001360991634 1066170262 /nfs/dbraw/zinc/17/02/62/1066170262.db2.gz DOKBRWFPNWTDBY-MSOLQXFVSA-N 0 0 451.011 4.729 20 0 JJADRN COc1ccc(/C=C\C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360991559 1066170283 /nfs/dbraw/zinc/17/02/83/1066170283.db2.gz UPAZRAHDRYDJLT-XFYOSZQUSA-N 0 0 455.963 4.671 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1C[C@@](C)(O)c1ccsc1 ZINC001360991721 1066170521 /nfs/dbraw/zinc/17/05/21/1066170521.db2.gz FDSLOFHTOMQFCF-HOOSLVGPSA-N 0 0 491.057 4.883 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2ccn(C)n2)n1CCc1nccs1 ZINC001360991737 1066170534 /nfs/dbraw/zinc/17/05/34/1066170534.db2.gz FELFFUSBLMPKNM-HNNXBMFYSA-N 0 0 457.991 4.865 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2ccn(C)n2)n1CCc1nccs1 ZINC001360991744 1066170541 /nfs/dbraw/zinc/17/05/41/1066170541.db2.gz FELFFUSBLMPKNM-OAHLLOKOSA-N 0 0 457.991 4.865 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC(C)(C)[C@H]2C)cnn1C ZINC001360991699 1066170557 /nfs/dbraw/zinc/17/05/57/1066170557.db2.gz FCUALPVWPJLERN-RTBURBONSA-N 0 0 487.048 4.782 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[C@@H]1C ZINC001360991995 1066170811 /nfs/dbraw/zinc/17/08/11/1066170811.db2.gz IFFMHNHFASNDGN-BMGDILEWSA-N 0 0 467.992 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCCCC1(F)F ZINC001360992208 1066171319 /nfs/dbraw/zinc/17/13/19/1066171319.db2.gz KSNGUQSDBQTEBK-ZWKOTPCHSA-N 0 0 496.002 4.792 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360992205 1066171364 /nfs/dbraw/zinc/17/13/64/1066171364.db2.gz KSNGUQSDBQTEBK-MSOLQXFVSA-N 0 0 496.002 4.792 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@](C)(O)C(C)C ZINC001360992383 1066171816 /nfs/dbraw/zinc/17/18/16/1066171816.db2.gz NNPLOSQYSGIAOI-QVNIBDNGSA-N 0 0 479.065 4.957 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1ccn(C)n1 ZINC001360992509 1066171846 /nfs/dbraw/zinc/17/18/46/1066171846.db2.gz OXUNEBKIHIXXEK-RCCFBDPRSA-N 0 0 475.062 4.800 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1CC1(O)CCC1 ZINC001360992512 1066172022 /nfs/dbraw/zinc/17/20/22/1066172022.db2.gz PBBSKDGTAGIBSW-IRXDYDNUSA-N 0 0 451.036 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCc1ccncc1 ZINC001360992524 1066172031 /nfs/dbraw/zinc/17/20/31/1066172031.db2.gz PCOFPDUCJXXKCX-IBGZPJMESA-N 0 0 470.017 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCc1ccncc1 ZINC001360992525 1066172067 /nfs/dbraw/zinc/17/20/67/1066172067.db2.gz PCOFPDUCJXXKCX-LJQANCHMSA-N 0 0 470.017 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC(=O)NC(C)C ZINC001360992763 1066172356 /nfs/dbraw/zinc/17/23/56/1066172356.db2.gz TWLQHRCGPDTDLS-RTBURBONSA-N 0 0 492.064 4.607 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC(=O)N(C)C ZINC001360993041 1066172945 /nfs/dbraw/zinc/17/29/45/1066172945.db2.gz XHEBZXCFYRTRKS-CEYNDMKZSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@H]2C)n1CCCOC(F)(F)F ZINC001360993124 1066173072 /nfs/dbraw/zinc/17/30/72/1066173072.db2.gz ZDXHJCBLKTUSIK-CVEARBPZSA-N 0 0 476.927 4.840 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1(C)CCC1 ZINC001360993153 1066173353 /nfs/dbraw/zinc/17/33/53/1066173353.db2.gz ZKZLZXSYTGWAOV-QZTJIDSGSA-N 0 0 460.022 4.545 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3cccc(F)c3F)CC2)c(C)o1 ZINC001360994978 1066174067 /nfs/dbraw/zinc/17/40/67/1066174067.db2.gz HRILYJWXLIATQI-UHFFFAOYSA-N 0 0 471.552 4.531 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C4CCCC4)n3CCOCCC(C)C)CC2)c(C)o1 ZINC001360994938 1066174094 /nfs/dbraw/zinc/17/40/94/1066174094.db2.gz GJQKIUQPDIWQNM-UHFFFAOYSA-N 0 0 471.646 4.607 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001360995963 1066174839 /nfs/dbraw/zinc/17/48/39/1066174839.db2.gz WRFCOCZAAAGTFV-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000029418097 1066175170 /nfs/dbraw/zinc/17/51/70/1066175170.db2.gz QQPLHULUQCWREY-HOTGVXAUSA-N 0 0 482.631 4.756 20 0 JJADRN COc1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)cnc1Br ZINC001360996705 1066175230 /nfs/dbraw/zinc/17/52/30/1066175230.db2.gz QWBVVAAMALKSMU-UHFFFAOYSA-N 0 0 453.296 4.859 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H]2CCOC2)c(C)o1 ZINC001360997223 1066175658 /nfs/dbraw/zinc/17/56/58/1066175658.db2.gz CZODFNNKAGRKLY-HJPURHCSSA-N 0 0 479.408 4.842 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)c(C)o1 ZINC001360997347 1066175953 /nfs/dbraw/zinc/17/59/53/1066175953.db2.gz GGONQEDVXFRQJR-XUZZJYLKSA-N 0 0 458.990 4.577 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)c(C)o1 ZINC001360997365 1066175973 /nfs/dbraw/zinc/17/59/73/1066175973.db2.gz GLHBDFVHROBIJD-VWLOTQADSA-N 0 0 473.017 4.705 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC001360997541 1066176398 /nfs/dbraw/zinc/17/63/98/1066176398.db2.gz JORDJBDLFHREHM-DWXRJYCRSA-N 0 0 481.597 4.673 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccccc3Cl)C2)c(C)o1 ZINC001360997561 1066176401 /nfs/dbraw/zinc/17/64/01/1066176401.db2.gz KAYJNJMLFXFDQH-XUZZJYLKSA-N 0 0 458.990 4.750 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)c(C)o1 ZINC001360997533 1066176405 /nfs/dbraw/zinc/17/64/05/1066176405.db2.gz JLLVGGHLZPMILX-DEOSSOPVSA-N 0 0 496.409 4.857 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)c(C)o1 ZINC001360997724 1066176623 /nfs/dbraw/zinc/17/66/23/1066176623.db2.gz NEEVAUUISIVKAA-FQEVSTJZSA-N 0 0 481.341 4.671 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC001360998042 1066177051 /nfs/dbraw/zinc/17/70/51/1066177051.db2.gz SVVZKLXBTWMLHM-FJRUVBMXSA-N 0 0 489.016 4.803 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)C)CC2)c(C)o1 ZINC001360998114 1066177351 /nfs/dbraw/zinc/17/73/51/1066177351.db2.gz UVHCKPXREIDTFX-FYYLOGMGSA-N 0 0 485.673 4.851 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C)nnc2N2Cc3cc(Br)ccc3[C@H](C)C2)c(C)o1 ZINC001360998096 1066177363 /nfs/dbraw/zinc/17/73/63/1066177363.db2.gz UKXGJQUWDSNECB-MCMMXHMISA-N 0 0 459.388 4.590 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998250 1066177504 /nfs/dbraw/zinc/17/75/04/1066177504.db2.gz XUMNARROYDEZST-NIYFSFCBSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998229 1066177507 /nfs/dbraw/zinc/17/75/07/1066177507.db2.gz XIUXRVZYGOTECM-SIBVEZHUSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)o1 ZINC001360998421 1066177747 /nfs/dbraw/zinc/17/77/47/1066177747.db2.gz BGDZPJFVMYEDTN-CJTDVUMGSA-N 0 0 470.639 4.598 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@H](C)C2)c(C)o1 ZINC001360998335 1066177768 /nfs/dbraw/zinc/17/77/68/1066177768.db2.gz ZGRRIBQGFMSHEL-SZNDQCEHSA-N 0 0 495.443 4.502 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(Cl)cc2)c(C)o1 ZINC001360999629 1066178179 /nfs/dbraw/zinc/17/81/79/1066178179.db2.gz NQBLJLCMAZSAPF-VWLOTQADSA-N 0 0 481.984 4.626 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3C)nnc2N(C)CCC2CCOCC2)c(C)o1 ZINC001360999881 1066178413 /nfs/dbraw/zinc/17/84/13/1066178413.db2.gz PJHBPYONISBBKR-AREMUKBSSA-N 0 0 452.599 4.624 20 0 JJADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC001360999911 1066178425 /nfs/dbraw/zinc/17/84/25/1066178425.db2.gz TUCXHENEBJWROC-PIIWDFAUSA-N 0 0 455.558 4.649 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)(C)C)nnc2N(Cc2ccco2)C[C@H]2CCCO2)c(C)o1 ZINC001361000357 1066178571 /nfs/dbraw/zinc/17/85/71/1066178571.db2.gz TZWKQIFUBVJQSQ-RLWLMLJZSA-N 0 0 470.614 4.763 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000441 1066178575 /nfs/dbraw/zinc/17/85/75/1066178575.db2.gz ULMWLLVIRRHFPJ-PXDATVDWSA-N 0 0 490.551 4.875 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000671 1066178810 /nfs/dbraw/zinc/17/88/10/1066178810.db2.gz XWAQZMHCXAHYEQ-CLOONOSVSA-N 0 0 490.551 4.527 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCC2)c(C)o1 ZINC001361002107 1066179076 /nfs/dbraw/zinc/17/90/76/1066179076.db2.gz ABDKKMUYTYFMMB-SANMLTNESA-N 0 0 452.599 4.872 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccccc3F)nnc2N2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC001361002380 1066179253 /nfs/dbraw/zinc/17/92/53/1066179253.db2.gz DGYVUOBQLVPXSQ-RYUVBPIJSA-N 0 0 456.562 4.596 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CCCC2)c(C)o1 ZINC001361002598 1066179579 /nfs/dbraw/zinc/17/95/79/1066179579.db2.gz GLFNOVLPDCRLBG-RUZDIDTESA-N 0 0 458.553 4.891 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361002755 1066179780 /nfs/dbraw/zinc/17/97/80/1066179780.db2.gz HOCMUZORQGYILG-MRDQGFSESA-N 0 0 454.590 4.998 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCOc3ccccc3)nnc2N2C[C@H](C)CC[C@H]2C)c(C)o1 ZINC001361002892 1066179979 /nfs/dbraw/zinc/17/99/79/1066179979.db2.gz KBPUKNAGIIDYCZ-LJKQEARRSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCOc3ccccc3)nnc2N2C[C@H](C)CC[C@@H]2C)c(C)o1 ZINC001361002894 1066180000 /nfs/dbraw/zinc/18/00/00/1066180000.db2.gz KBPUKNAGIIDYCZ-UYXZNNOOSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001361003105 1066180226 /nfs/dbraw/zinc/18/02/26/1066180226.db2.gz OIKTVWZITUPXJF-RUZDIDTESA-N 0 0 484.000 4.881 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(C)C)c(C)o1 ZINC001361003069 1066180244 /nfs/dbraw/zinc/18/02/44/1066180244.db2.gz NJISKNISRDRNLL-HSZRJFAPSA-N 0 0 491.430 4.829 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(C)o1 ZINC001361003211 1066180445 /nfs/dbraw/zinc/18/04/45/1066180445.db2.gz QIJVWFRWHCHDND-KAYWLYCHSA-N 0 0 484.616 4.767 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnc(C(C)C)nc2)c(C)o1 ZINC001361003163 1066180500 /nfs/dbraw/zinc/18/05/00/1066180500.db2.gz PQCDQZUPYBLUNU-MUUNZHRXSA-N 0 0 488.636 4.731 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)c(C)o1 ZINC001361003296 1066180675 /nfs/dbraw/zinc/18/06/75/1066180675.db2.gz RVNCATOFVMAJBF-NDEPHWFRSA-N 0 0 496.652 4.985 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3cccnc3)nnc2N(C)CCOc2ccccc2Cl)c(C)o1 ZINC001361003287 1066180694 /nfs/dbraw/zinc/18/06/94/1066180694.db2.gz RQWSWBNUJOFGIP-AREMUKBSSA-N 0 0 496.011 4.550 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCC(O)(c4ccccc4Cl)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361003234 1066180698 /nfs/dbraw/zinc/18/06/98/1066180698.db2.gz QTKVEDFMAYCIGH-VWLOTQADSA-N 0 0 487.044 4.835 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(F)(F)F)C2)c(C)o1 ZINC001361003425 1066181154 /nfs/dbraw/zinc/18/11/54/1066181154.db2.gz ULJXVOIXDPRBNQ-SBUREZEXSA-N 0 0 496.505 4.892 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@H](Oc3ccccc3Cl)C2)c(C)o1 ZINC001361003686 1066181492 /nfs/dbraw/zinc/18/14/92/1066181492.db2.gz ZEUJSSVPRVTAKF-DFBJGRDBSA-N 0 0 473.017 4.905 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCC[C@H](Nc4ccccc4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361003616 1066181507 /nfs/dbraw/zinc/18/15/07/1066181507.db2.gz XWHXNAWJVHTYLJ-LVXARBLLSA-N 0 0 451.615 4.774 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361003903 1066182023 /nfs/dbraw/zinc/18/20/23/1066182023.db2.gz DSWOIGFHPRSXMM-IFMALSPDSA-N 0 0 462.642 4.527 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361004169 1066182538 /nfs/dbraw/zinc/18/25/38/1066182538.db2.gz IUDBPXJODQAGJJ-VXKWHMMOSA-N 0 0 474.653 4.831 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCOC(C)(C)C2)c1 ZINC001361004835 1066183039 /nfs/dbraw/zinc/18/30/39/1066183039.db2.gz UKNVJCKXIUNUSU-KRWDZBQOSA-N 0 0 472.431 4.773 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)CN2CCOCC2)c1 ZINC001361004738 1066183072 /nfs/dbraw/zinc/18/30/72/1066183072.db2.gz RWDNQKUNRKIAAX-OAQYLSRUSA-N 0 0 497.087 4.900 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361005022 1066183568 /nfs/dbraw/zinc/18/35/68/1066183568.db2.gz XMGBTSMPGOUCMG-UUOWRZLLSA-N 0 0 473.543 4.982 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc(Cl)c1OCCC(C)C ZINC001361006510 1066184574 /nfs/dbraw/zinc/18/45/74/1066184574.db2.gz RBHRPTCRWOHPKR-KRWDZBQOSA-N 0 0 454.995 4.855 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001361006129 1066184710 /nfs/dbraw/zinc/18/47/10/1066184710.db2.gz JNNDEIJFCSAWKG-DJPFJPOOSA-N 0 0 454.011 4.567 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@@H](C)C2)c1 ZINC001361006756 1066185281 /nfs/dbraw/zinc/18/52/81/1066185281.db2.gz AIQULPJBRYEZAB-SLFFLAALSA-N 0 0 451.640 4.864 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001361006689 1066185331 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Cc1cc(C)cc(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017644 1066206890 /nfs/dbraw/zinc/20/68/90/1066206890.db2.gz ZDDPAQLMLSEZMF-BJKOFHAPSA-N 0 0 497.684 4.867 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361018114 1066207442 /nfs/dbraw/zinc/20/74/42/1066207442.db2.gz ILXUTBYDIMBZFG-SIKLNZKXSA-N 0 0 469.630 4.718 20 0 JJADRN O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001361020075 1066209786 /nfs/dbraw/zinc/20/97/86/1066209786.db2.gz NUMKXDDCKBWPSV-FQEVSTJZSA-N 0 0 450.922 4.542 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361019698 1066209879 /nfs/dbraw/zinc/20/98/79/1066209879.db2.gz FGZWOOLARSUYRE-OAHLLOKOSA-N 0 0 453.789 4.750 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCNC(=O)OC(C)(C)C ZINC001361020697 1066211127 /nfs/dbraw/zinc/21/11/27/1066211127.db2.gz DFORVVKVESERNA-UHFFFAOYSA-N 0 0 498.628 4.630 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCCCCC2)s1 ZINC001361020813 1066211720 /nfs/dbraw/zinc/21/17/20/1066211720.db2.gz ITDAFTDOYIKDCE-UHFFFAOYSA-N 0 0 469.655 4.961 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)cc1 ZINC001361021671 1066215172 /nfs/dbraw/zinc/21/51/72/1066215172.db2.gz QDQANFLSGCMLME-UHFFFAOYSA-N 0 0 456.652 4.913 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)c2ccccn2)no1 ZINC001361021937 1066215681 /nfs/dbraw/zinc/21/56/81/1066215681.db2.gz AVWABNUIIYNZQF-UHFFFAOYSA-N 0 0 460.582 4.780 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CSCCS2)c1 ZINC001361022136 1066216439 /nfs/dbraw/zinc/21/64/39/1066216439.db2.gz HDOPMTCJZIUFEB-QFIPXVFZSA-N 0 0 476.712 4.575 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361022213 1066216876 /nfs/dbraw/zinc/21/68/76/1066216876.db2.gz JCPJLAXJFHOTSA-OAQYLSRUSA-N 0 0 488.698 4.841 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)no1 ZINC001361022676 1066218668 /nfs/dbraw/zinc/21/86/68/1066218668.db2.gz YFXSDTUJRHKQIS-LJQANCHMSA-N 0 0 498.628 4.568 20 0 JJADRN C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023372 1066219934 /nfs/dbraw/zinc/21/99/34/1066219934.db2.gz LITSYRCMXXVFPY-QMHKHESXSA-N 0 0 459.970 4.967 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1)OC ZINC001545951794 1066221656 /nfs/dbraw/zinc/22/16/56/1066221656.db2.gz CLMMGWLXCSRQPN-WSTZPKSXSA-N 0 0 451.011 4.729 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546056083 1066222204 /nfs/dbraw/zinc/22/22/04/1066222204.db2.gz AMLXYMWGFIBQAQ-NFBKMPQASA-N 0 0 496.574 4.715 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001442791391 1066222680 /nfs/dbraw/zinc/22/26/80/1066222680.db2.gz ZSGUIJAYZPXRTM-PBXDPIQXSA-N 0 0 455.839 4.847 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c(Cl)cc1Cl ZINC001442793197 1066222744 /nfs/dbraw/zinc/22/27/44/1066222744.db2.gz BELXKKDRCLMMAX-UHFFFAOYSA-N 0 0 453.174 4.902 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCOC(C)(C)C)c(C)o1 ZINC001361024722 1066222654 /nfs/dbraw/zinc/22/26/54/1066222654.db2.gz PEXBFFLEKZSGMH-HHHXNRCGSA-N 0 0 484.641 4.843 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001442791375 1066222813 /nfs/dbraw/zinc/22/28/13/1066222813.db2.gz ZSGUIJAYZPXRTM-AUUUKSDWSA-N 0 0 455.839 4.847 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1 ZINC001361024941 1066223219 /nfs/dbraw/zinc/22/32/19/1066223219.db2.gz RMBULNZIVWKAJK-WBVHZDCISA-N 0 0 462.463 4.675 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@@H]3c3ccc(Br)cc3)no2)c1 ZINC001453939633 1066223183 /nfs/dbraw/zinc/22/31/83/1066223183.db2.gz ZLUJQZQDDJJARM-OAQYLSRUSA-N 0 0 455.308 4.806 20 0 JJADRN Cc1cc(N2CCC(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)CC2)nc(C)n1 ZINC001361024882 1066223284 /nfs/dbraw/zinc/22/32/84/1066223284.db2.gz ZPWPJJQQNYQPHU-UHFFFAOYSA-N 0 0 455.484 4.573 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)C2)c(O)cc1Cl ZINC001453940895 1066223352 /nfs/dbraw/zinc/22/33/52/1066223352.db2.gz BWLJTRRBJNOGFH-MRXNPFEDSA-N 0 0 457.036 4.708 20 0 JJADRN CCC[C@@H](NC(=O)Cc1nc(C2CCCC2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442799309 1066223487 /nfs/dbraw/zinc/22/34/87/1066223487.db2.gz NPKMZADWJMEOQN-OAQYLSRUSA-N 0 0 454.640 4.867 20 0 JJADRN CCC[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442797841 1066223501 /nfs/dbraw/zinc/22/35/01/1066223501.db2.gz JVTHDYBLZMYOGT-FDDCHVKYSA-N 0 0 453.558 4.558 20 0 JJADRN CCSC1(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001453945997 1066223856 /nfs/dbraw/zinc/22/38/56/1066223856.db2.gz IDQCHUUESLTKCA-UHFFFAOYSA-N 0 0 459.420 4.810 20 0 JJADRN CCn1ncc(Br)c1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361025748 1066224544 /nfs/dbraw/zinc/22/45/44/1066224544.db2.gz NMHVMTUGDRBYMP-UHFFFAOYSA-N 0 0 455.194 4.670 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)C1 ZINC001361025595 1066224613 /nfs/dbraw/zinc/22/46/13/1066224613.db2.gz IYEWEOUMOTWJSD-IBGZPJMESA-N 0 0 454.567 4.571 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)nc1 ZINC001361025573 1066224804 /nfs/dbraw/zinc/22/48/04/1066224804.db2.gz IHWLRPDBVNFMQI-UHFFFAOYSA-N 0 0 455.308 4.852 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c2ccccc2nc2c1CN(C)CC2 ZINC001453956535 1066225271 /nfs/dbraw/zinc/22/52/71/1066225271.db2.gz WNJPOQPPSLEJBW-SFHVURJKSA-N 0 0 452.396 4.736 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546056396 1066225311 /nfs/dbraw/zinc/22/53/11/1066225311.db2.gz FHFZIACITGBXSC-YKSBVNFPSA-N 0 0 457.550 4.585 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546056429 1066225589 /nfs/dbraw/zinc/22/55/89/1066225589.db2.gz FTOBBYYAEBQGKV-HEKZAOSPSA-N 0 0 475.678 4.804 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442807566 1066225504 /nfs/dbraw/zinc/22/55/04/1066225504.db2.gz FGZYSZPJQVPYPG-UYAOXDASSA-N 0 0 458.990 4.523 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442807555 1066225786 /nfs/dbraw/zinc/22/57/86/1066225786.db2.gz FGZYSZPJQVPYPG-AZUAARDMSA-N 0 0 458.990 4.523 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442807565 1066225800 /nfs/dbraw/zinc/22/58/00/1066225800.db2.gz FGZYSZPJQVPYPG-QUCCMNQESA-N 0 0 458.990 4.523 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c1 ZINC001442812272 1066226348 /nfs/dbraw/zinc/22/63/48/1066226348.db2.gz KUGYEFNBQPMGRE-HXUWFJFHSA-N 0 0 452.576 4.642 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2)cc1 ZINC001453968439 1066226745 /nfs/dbraw/zinc/22/67/45/1066226745.db2.gz DUCKVHJYNOIRBR-UHFFFAOYSA-N 0 0 459.933 4.796 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001442817969 1066226859 /nfs/dbraw/zinc/22/68/59/1066226859.db2.gz UITOAQJDHVGHCV-UHFFFAOYSA-N 0 0 456.287 4.959 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)o1 ZINC001453968534 1066226875 /nfs/dbraw/zinc/22/68/75/1066226875.db2.gz CLFBTSVGSYHPGV-LUAWRHEFSA-N 0 0 455.555 4.770 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)o1 ZINC001453968538 1066226916 /nfs/dbraw/zinc/22/69/16/1066226916.db2.gz CLFBTSVGSYHPGV-PKNBQFBNSA-N 0 0 455.555 4.770 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c(C)n1-c1cnn(C)c1 ZINC001453967293 1066226968 /nfs/dbraw/zinc/22/69/68/1066226968.db2.gz RKDOWCOZTMTDPU-LJQANCHMSA-N 0 0 459.413 4.597 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)OC ZINC001545952134 1066227097 /nfs/dbraw/zinc/22/70/97/1066227097.db2.gz HXRTXHQGBLFMMZ-SUMDDJOVSA-N 0 0 474.499 4.530 20 0 JJADRN COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3-c3cccc(Br)c3)n[nH]2)c1 ZINC001442824368 1066227585 /nfs/dbraw/zinc/22/75/85/1066227585.db2.gz GBCRISYMJUSZGS-UHFFFAOYSA-N 0 0 452.312 4.594 20 0 JJADRN O=C(c1ccnc(Cl)c1Br)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001453974750 1066227915 /nfs/dbraw/zinc/22/79/15/1066227915.db2.gz QNNHBVRWSBXDDX-UHFFFAOYSA-N 0 0 453.768 4.633 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)cnn1CC(C)C ZINC001361026984 1066228115 /nfs/dbraw/zinc/22/81/15/1066228115.db2.gz JECHDMIOAYHKMT-UHFFFAOYSA-N 0 0 450.631 4.919 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CO)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361027046 1066228277 /nfs/dbraw/zinc/22/82/77/1066228277.db2.gz KQNTYHRUFAARGP-VQTJNVASSA-N 0 0 466.548 4.976 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@@H]2Cc3ccccc3S2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361027070 1066228460 /nfs/dbraw/zinc/22/84/60/1066228460.db2.gz MSCYNCDZGODZCK-ZEQRLZLVSA-N 0 0 451.613 4.575 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[C@@H]3CCCOC3)ccc2C)cc1 ZINC001453977353 1066228537 /nfs/dbraw/zinc/22/85/37/1066228537.db2.gz VKCHULHZRFGXHM-NRFANRHFSA-N 0 0 458.624 4.685 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H]2CCCS2)c1 ZINC001361027267 1066228762 /nfs/dbraw/zinc/22/87/62/1066228762.db2.gz ABAKNHAXWYJHNZ-IBGZPJMESA-N 0 0 482.572 4.717 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCCC(=O)NC2CC2)c1 ZINC001361027210 1066228800 /nfs/dbraw/zinc/22/88/00/1066228800.db2.gz LXSRAKJNWCIDON-UHFFFAOYSA-N 0 0 493.574 4.702 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1 ZINC001361027273 1066228963 /nfs/dbraw/zinc/22/89/63/1066228963.db2.gz AKEKQJFXYFHTEA-NHCUHLMSSA-N 0 0 495.624 4.855 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001361027135 1066228976 /nfs/dbraw/zinc/22/89/76/1066228976.db2.gz OVNWHUVLBGAXGF-SANMLTNESA-N 0 0 451.588 4.772 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361027468 1066229580 /nfs/dbraw/zinc/22/95/80/1066229580.db2.gz OHVJMXHFCXOYQA-HXUWFJFHSA-N 0 0 471.646 4.871 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)O1 ZINC001546056581 1066229708 /nfs/dbraw/zinc/22/97/08/1066229708.db2.gz HOAQNXNITFOFCY-IPVFLDMMSA-N 0 0 456.631 4.862 20 0 JJADRN O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N(CCN1CCOCC1)CC1CC1 ZINC001453986206 1066230017 /nfs/dbraw/zinc/23/00/17/1066230017.db2.gz SCWZSHLTNPTTHO-UHFFFAOYSA-N 0 0 451.369 4.984 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](c2ccncc2)C2CCCCC2)c(F)cc1F ZINC001442839941 1066229892 /nfs/dbraw/zinc/22/98/92/1066229892.db2.gz PLZXOXQZVTVPSW-NRFANRHFSA-N 0 0 451.539 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2C1 ZINC001442844895 1066230796 /nfs/dbraw/zinc/23/07/96/1066230796.db2.gz SVSPMQXKBIJMCG-UHFFFAOYSA-N 0 0 451.498 4.704 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C2CC2)cc1 ZINC001442844265 1066230878 /nfs/dbraw/zinc/23/08/78/1066230878.db2.gz FOMGIZIMZYGGIO-QFIPXVFZSA-N 0 0 457.368 4.860 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc(C(F)(F)F)c1 ZINC001442842926 1066230927 /nfs/dbraw/zinc/23/09/27/1066230927.db2.gz QBCZKKJQMCHRTK-UHFFFAOYSA-N 0 0 451.376 4.650 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC(C)(OC)C2)O1 ZINC001546057224 1066231394 /nfs/dbraw/zinc/23/13/94/1066231394.db2.gz OVNOYPWGEPIDIP-OFVILXPXSA-N 0 0 456.631 4.727 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361028012 1066232069 /nfs/dbraw/zinc/23/20/69/1066232069.db2.gz VXWQBXCCUQAUSH-NRFANRHFSA-N 0 0 488.698 4.704 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545952406 1066232187 /nfs/dbraw/zinc/23/21/87/1066232187.db2.gz KYEJMFWQGYJFOH-IEBWSBKVSA-N 0 0 494.036 4.554 20 0 JJADRN CC[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545952407 1066232266 /nfs/dbraw/zinc/23/22/66/1066232266.db2.gz KYEJMFWQGYJFOH-MJGOQNOKSA-N 0 0 494.036 4.554 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCOCC(F)F)c1 ZINC001361028355 1066232711 /nfs/dbraw/zinc/23/27/11/1066232711.db2.gz YKQLMWXJCWYZMX-UHFFFAOYSA-N 0 0 476.490 4.924 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@@H]4CCOC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361028400 1066232745 /nfs/dbraw/zinc/23/27/45/1066232745.db2.gz ZWAMBRKYOUNJMC-QHWMMSMNSA-N 0 0 470.658 4.524 20 0 JJADRN C[C@@H](NC(=O)c1nccnc1SCc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442862577 1066233130 /nfs/dbraw/zinc/23/31/30/1066233130.db2.gz JTFZAXFVSYDGNK-IEBWSBKVSA-N 0 0 456.612 4.534 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@]4(CCOC4)C3)n2CCCC(C)(C)C)c1 ZINC001361028522 1066233374 /nfs/dbraw/zinc/23/33/74/1066233374.db2.gz KETVUQDRTBPXTD-HFZDXXHNSA-N 0 0 456.631 4.684 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)cs2)cc1OC ZINC001454009235 1066233590 /nfs/dbraw/zinc/23/35/90/1066233590.db2.gz WSGYKAMPTFDDAZ-UHFFFAOYSA-N 0 0 456.539 4.788 20 0 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CC[C@@H](C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1cccc(C(F)(F)F)c1 ZINC001454194555 1066252789 /nfs/dbraw/zinc/25/27/89/1066252789.db2.gz OOFFZQQHYLCFDE-HXUWFJFHSA-N 0 0 457.500 4.796 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cn1 ZINC001443014285 1066253290 /nfs/dbraw/zinc/25/32/90/1066253290.db2.gz AHACIVRPPKCFMO-UHFFFAOYSA-N 0 0 455.902 4.594 20 0 JJADRN CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545953107 1066253369 /nfs/dbraw/zinc/25/33/69/1066253369.db2.gz UDUKFVVINLUMSY-HQRMLTQVSA-N 0 0 494.036 4.600 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N(CC)[C@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC001454196751 1066253432 /nfs/dbraw/zinc/25/34/32/1066253432.db2.gz BAIJYSKRUWXNNB-INIZCTEOSA-N 0 0 455.546 4.870 20 0 JJADRN Cn1cc(-c2ccnc(C3CCN(C(=O)CCCc4ccc(Cl)c(Cl)c4)CC3)n2)cn1 ZINC001454201048 1066253884 /nfs/dbraw/zinc/25/38/84/1066253884.db2.gz XDSCRJTZKJOCCI-UHFFFAOYSA-N 0 0 458.393 4.913 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCCCOC(C)C)c1 ZINC001361035388 1066253900 /nfs/dbraw/zinc/25/39/00/1066253900.db2.gz WJQUMYFKAKIVGT-VWNXMTODSA-N 0 0 456.631 4.684 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC001454202786 1066253920 /nfs/dbraw/zinc/25/39/20/1066253920.db2.gz BVYOREMSVKWKHX-UHFFFAOYSA-N 0 0 456.980 4.846 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(C)o1 ZINC001361035775 1066254291 /nfs/dbraw/zinc/25/42/91/1066254291.db2.gz NCHFDQWKLUGJTR-RBJSKKJNSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC(C)(C)C2CC2)c1 ZINC001361035711 1066254344 /nfs/dbraw/zinc/25/43/44/1066254344.db2.gz KTQIUXRGUDEYJD-JOCHJYFZSA-N 0 0 481.685 4.993 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(C)C)CC2)s1 ZINC001361035673 1066254401 /nfs/dbraw/zinc/25/44/01/1066254401.db2.gz JGQHJXCDTYGREP-UHFFFAOYSA-N 0 0 482.698 4.997 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCCC(C)(C)C)c1 ZINC001361035561 1066254570 /nfs/dbraw/zinc/25/45/70/1066254570.db2.gz FXUFUSXNNMJOCY-HSZRJFAPSA-N 0 0 469.674 4.601 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(c4nccc(C(C)C)n4)CC3)n2CCC(C)(F)F)c1 ZINC001361035690 1066254622 /nfs/dbraw/zinc/25/46/22/1066254622.db2.gz JWFGSIWCGMQAGZ-UHFFFAOYSA-N 0 0 499.610 4.759 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361036046 1066255194 /nfs/dbraw/zinc/25/51/94/1066255194.db2.gz WOBXAMBQJUNOQX-UFYCRDLUSA-N 0 0 483.554 4.685 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC001361037227 1066255310 /nfs/dbraw/zinc/25/53/10/1066255310.db2.gz CAJHQKLRSKCBBG-QGZVFWFLSA-N 0 0 459.775 4.687 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC[C@H](C4CCC4)C3)n2CCSC(F)(F)F)c1 ZINC001361037774 1066255920 /nfs/dbraw/zinc/25/59/20/1066255920.db2.gz ARCJMZJSPVYSDF-LJQANCHMSA-N 0 0 484.588 4.980 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCCOC(C)C)c1 ZINC001361037896 1066255939 /nfs/dbraw/zinc/25/59/39/1066255939.db2.gz BWKYLRFYMSGOEE-HSZRJFAPSA-N 0 0 458.647 4.930 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1C ZINC001454222406 1066256240 /nfs/dbraw/zinc/25/62/40/1066256240.db2.gz RYABGCDQZVZYGX-LLVKDONJSA-N 0 0 453.711 4.929 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC001443025993 1066256263 /nfs/dbraw/zinc/25/62/63/1066256263.db2.gz DTGRGQBGLMJBAQ-INIZCTEOSA-N 0 0 457.137 4.873 20 0 JJADRN COc1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)ccc1OCc1ccc(Cl)cc1 ZINC001546058766 1066256359 /nfs/dbraw/zinc/25/63/59/1066256359.db2.gz YYWOHBDHXWESSU-FQEVSTJZSA-N 0 0 457.876 4.703 20 0 JJADRN Cc1csc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001361038473 1066257121 /nfs/dbraw/zinc/25/71/21/1066257121.db2.gz JFWHRSVGSKXQEU-FQEVSTJZSA-N 0 0 455.628 4.538 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc3cc(Br)cc(C)c3o2)c2nccn2C)c1 ZINC001454244565 1066257590 /nfs/dbraw/zinc/25/75/90/1066257590.db2.gz KQUFPEHTLCEVBE-LJQANCHMSA-N 0 0 454.324 4.765 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001454243991 1066257631 /nfs/dbraw/zinc/25/76/31/1066257631.db2.gz YPRREGNIXGPFER-AZUAARDMSA-N 0 0 470.589 4.616 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361038608 1066257782 /nfs/dbraw/zinc/25/77/82/1066257782.db2.gz LBSLLNJCEWZGMH-XMMPIXPASA-N 0 0 480.682 4.561 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001443043498 1066258240 /nfs/dbraw/zinc/25/82/40/1066258240.db2.gz LZXNBVLPMORXBX-ZWKOTPCHSA-N 0 0 455.986 4.683 20 0 JJADRN Cc1ccc(Nc2cccc(C(=O)N(C3CC3)C3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1 ZINC001443044598 1066258326 /nfs/dbraw/zinc/25/83/26/1066258326.db2.gz CQHDOXMSQRDOHD-UHFFFAOYSA-N 0 0 451.571 4.533 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)c2)C1 ZINC001443050929 1066258988 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JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2Cc2cccc(Br)n2)c1 ZINC001361039729 1066261816 /nfs/dbraw/zinc/26/18/16/1066261816.db2.gz RVYKCUQHDYRSCX-KRWDZBQOSA-N 0 0 488.455 4.621 20 0 JJADRN COC(CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)(OC)c1ccccc1 ZINC001454274122 1066262952 /nfs/dbraw/zinc/26/29/52/1066262952.db2.gz BUDOTZJWGQWPOM-UHFFFAOYSA-N 0 0 455.967 4.924 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361040455 1066263089 /nfs/dbraw/zinc/26/30/89/1066263089.db2.gz XLNMQFCOUDAMBO-UHFFFAOYSA-N 0 0 459.631 4.857 20 0 JJADRN COCc1nc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(-c2ccccc2)s1 ZINC001361040117 1066263152 /nfs/dbraw/zinc/26/31/52/1066263152.db2.gz ILIFSCCYOBJHQJ-UHFFFAOYSA-N 0 0 459.612 4.864 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC001443084027 1066263396 /nfs/dbraw/zinc/26/33/96/1066263396.db2.gz BTHMQUPBFVCIBZ-KRWDZBQOSA-N 0 0 459.930 4.687 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361040763 1066263620 /nfs/dbraw/zinc/26/36/20/1066263620.db2.gz HKFXXRGHOJJZGC-VXKWHMMOSA-N 0 0 458.986 4.625 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1)OCC(F)(F)F ZINC001443085059 1066263909 /nfs/dbraw/zinc/26/39/09/1066263909.db2.gz BLEFEMYZLRYVKG-KRWDZBQOSA-N 0 0 450.413 4.546 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001443085526 1066263986 /nfs/dbraw/zinc/26/39/86/1066263986.db2.gz AKSWSGJQXXIZDG-NSHDSACASA-N 0 0 451.882 4.822 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCCO2)c1 ZINC001361041498 1066264324 /nfs/dbraw/zinc/26/43/24/1066264324.db2.gz AGCCTJLRBBHDIF-LJQANCHMSA-N 0 0 488.430 4.737 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N(C)c3ccc(NC(=O)OC(C)(C)C)cc3)cc2)no1 ZINC001454279209 1066264313 /nfs/dbraw/zinc/26/43/13/1066264313.db2.gz WMSCGZPUCCRJTB-UHFFFAOYSA-N 0 0 452.511 4.835 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2c(C)noc2C)C1 ZINC001546059331 1066264497 /nfs/dbraw/zinc/26/44/97/1066264497.db2.gz INOJLDHNMSTBSH-RUZDIDTESA-N 0 0 450.587 4.621 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3cn(-c4ccc(C)cc4)nc3C(C)(C)C)CC2)cc1 ZINC001443087373 1066264690 /nfs/dbraw/zinc/26/46/90/1066264690.db2.gz JJJSGNFNNRGZCS-UHFFFAOYSA-N 0 0 458.606 4.821 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC001443088534 1066264752 /nfs/dbraw/zinc/26/47/52/1066264752.db2.gz HDCVLUSGLPZRTR-UHFFFAOYSA-N 0 0 453.951 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCOc2cc(C)cc(C)c2)o1 ZINC001361041704 1066264838 /nfs/dbraw/zinc/26/48/38/1066264838.db2.gz HGRTZSCRLLWTAG-QFIPXVFZSA-N 0 0 493.652 4.921 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361041804 1066264922 /nfs/dbraw/zinc/26/49/22/1066264922.db2.gz KCVKNEGKRCCOTK-NRFANRHFSA-N 0 0 471.646 4.523 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001361041964 1066264978 /nfs/dbraw/zinc/26/49/78/1066264978.db2.gz OQSGVRSRDBPBEM-UHFFFAOYSA-N 0 0 466.548 4.910 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)O1 ZINC001546059442 1066264797 /nfs/dbraw/zinc/26/47/97/1066264797.db2.gz KFPPFLVXZQWLQB-MPCDZSKCSA-N 0 0 474.671 4.930 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)O1 ZINC001546059357 1066264952 /nfs/dbraw/zinc/26/49/52/1066264952.db2.gz IXMOUPMNGNBKGS-RNVDEAKXSA-N 0 0 491.677 4.702 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)c2N1 ZINC001443091356 1066265432 /nfs/dbraw/zinc/26/54/32/1066265432.db2.gz OQKUKZDJAWJARA-NOZJJQNGSA-N 0 0 455.437 4.871 20 0 JJADRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001443090688 1066265445 /nfs/dbraw/zinc/26/54/45/1066265445.db2.gz NBCQIVFKAZXRPG-UHFFFAOYSA-N 0 0 455.490 4.799 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCOc2cc(C)cc(C)c2)o1 ZINC001361042124 1066265573 /nfs/dbraw/zinc/26/55/73/1066265573.db2.gz SYAWSPXAMGRFAM-UHFFFAOYSA-N 0 0 495.624 4.847 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001454290701 1066265724 /nfs/dbraw/zinc/26/57/24/1066265724.db2.gz RTXZHCVGNBBNIF-VJBMBRPKSA-N 0 0 452.595 4.997 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361042331 1066266184 /nfs/dbraw/zinc/26/61/84/1066266184.db2.gz ZJMJFUJVJOCAQX-NRFANRHFSA-N 0 0 483.657 4.983 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546059497 1066266399 /nfs/dbraw/zinc/26/63/99/1066266399.db2.gz KZOJUJMCQBQQNP-LMTWLMQPSA-N 0 0 472.678 4.531 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545954311 1066266642 /nfs/dbraw/zinc/26/66/42/1066266642.db2.gz CBXJADCFWXWLEI-VXNXHJTFSA-N 0 0 490.652 4.804 20 0 JJADRN COc1ccccc1C[C@](C)(CO)NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001454301225 1066267105 /nfs/dbraw/zinc/26/71/05/1066267105.db2.gz FIPZHXDLMWYCDJ-HSZRJFAPSA-N 0 0 453.589 4.834 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@@](C)(O)c3ccc(Cl)cc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001443098353 1066267357 /nfs/dbraw/zinc/26/73/57/1066267357.db2.gz BGVGBFHWDZFIKH-QTCYRWPVSA-N 0 0 456.892 4.819 20 0 JJADRN COc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001443100572 1066268143 /nfs/dbraw/zinc/26/81/43/1066268143.db2.gz PEBYYYFGAKGKHV-QHCPKHFHSA-N 0 0 450.579 4.895 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 ZINC001443099783 1066268200 /nfs/dbraw/zinc/26/82/00/1066268200.db2.gz GWCUUKFOPQYHGM-IERDGZPVSA-N 0 0 458.986 4.523 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)O1 ZINC001546059680 1066268603 /nfs/dbraw/zinc/26/86/03/1066268603.db2.gz OBWBBDVNLJRZAB-YADARESESA-N 0 0 492.089 4.663 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)O1 ZINC001546059678 1066268679 /nfs/dbraw/zinc/26/86/79/1066268679.db2.gz OBWBBDVNLJRZAB-DVECYGJZSA-N 0 0 492.089 4.663 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C(F)(F)C3(O)CCCCC3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001443100795 1066268852 /nfs/dbraw/zinc/26/88/52/1066268852.db2.gz JZVHSJOUIQGQPC-ZIAGYGMSSA-N 0 0 450.448 4.588 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545954519 1066269330 /nfs/dbraw/zinc/26/93/30/1066269330.db2.gz GGINKXZPUIGBJT-BDTNDASRSA-N 0 0 471.646 4.739 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045135 1066269378 /nfs/dbraw/zinc/26/93/78/1066269378.db2.gz OMWDNBNZAWNOGN-HKUYNNGSSA-N 0 0 496.681 4.904 20 0 JJADRN O=C(Nc1nc(COc2ccccc2)cs1)c1c(O)cnc2c(Br)cccc21 ZINC001454325114 1066269519 /nfs/dbraw/zinc/26/95/19/1066269519.db2.gz DIYGXPRUSXWYNA-UHFFFAOYSA-N 0 0 456.321 4.991 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCC1(c2ccc(Cl)cc2)CC1 ZINC001443105018 1066269612 /nfs/dbraw/zinc/26/96/12/1066269612.db2.gz OVOVFGYJJLGEHU-AREMUKBSSA-N 0 0 454.817 4.838 20 0 JJADRN CC(C)(C(=O)N[C@@H](CO)c1ccc(Cl)cc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001454326353 1066270326 /nfs/dbraw/zinc/27/03/26/1066270326.db2.gz QGRRVZQTTPXXIH-ZEQRLZLVSA-N 0 0 453.966 4.828 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CCCOC(F)(F)F)no1 ZINC001361045554 1066270368 /nfs/dbraw/zinc/27/03/68/1066270368.db2.gz BMXISUKQOVJELN-UHFFFAOYSA-N 0 0 460.460 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cncc2-c2ccccc2)CC[C@@H]2CCCC[C@@H]21 ZINC001454327506 1066270403 /nfs/dbraw/zinc/27/04/03/1066270403.db2.gz KLHVTCNSUHULOD-FKBYEOEOSA-N 0 0 452.599 4.625 20 0 JJADRN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC001443120849 1066270785 /nfs/dbraw/zinc/27/07/85/1066270785.db2.gz OCCWDKKCVQYSCB-UHFFFAOYSA-N 0 0 457.958 4.798 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)O1 ZINC001546060016 1066270865 /nfs/dbraw/zinc/27/08/65/1066270865.db2.gz UIFWOGPBDLGDLJ-CPUCHLNUSA-N 0 0 470.458 4.798 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c1C(F)F ZINC001443126700 1066271590 /nfs/dbraw/zinc/27/15/90/1066271590.db2.gz XERYLZBMUHNUOG-UHFFFAOYSA-N 0 0 454.477 4.512 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC001443126642 1066271667 /nfs/dbraw/zinc/27/16/67/1066271667.db2.gz WHTLEVXJPOZACO-AWEZNQCLSA-N 0 0 459.509 4.515 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)c1 ZINC001454335530 1066271913 /nfs/dbraw/zinc/27/19/13/1066271913.db2.gz DXORWOAVWQDDAE-VWLOTQADSA-N 0 0 450.608 4.609 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)(F)C(F)F)C1 ZINC001546060044 1066271963 /nfs/dbraw/zinc/27/19/63/1066271963.db2.gz URWWHKIEOIDBOK-QFIPXVFZSA-N 0 0 485.526 4.691 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)Nc3ccccc3SCCC(N)=O)cc2)c(OC)c1 ZINC001443131190 1066272201 /nfs/dbraw/zinc/27/22/01/1066272201.db2.gz FXWTUDJAJQWGDQ-UHFFFAOYSA-N 0 0 451.548 4.667 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@](C)(O)C(C)C ZINC001361045856 1066272512 /nfs/dbraw/zinc/27/25/12/1066272512.db2.gz LYTUGBCGOGGJDJ-DEOSSOPVSA-N 0 0 450.612 4.610 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCOc1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443142518 1066272890 /nfs/dbraw/zinc/27/28/90/1066272890.db2.gz RXHAQFAKCCZENQ-UUOWRZLLSA-N 0 0 458.002 4.879 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)NCCCc1nc3c(s1)CCCC3)N2C(=O)OC(C)(C)C ZINC001443144350 1066272955 /nfs/dbraw/zinc/27/29/55/1066272955.db2.gz ZCJGFIJWXIZIQJ-FQEVSTJZSA-N 0 0 455.624 4.746 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3ccccc3C(=O)c3cccs3)C[C@@]2(C)C1 ZINC001454344401 1066272978 /nfs/dbraw/zinc/27/29/78/1066272978.db2.gz HVTLGJXYTIQGHD-PLQXJYEYSA-N 0 0 454.592 4.698 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nnc2C(C)(C)C)O1 ZINC001546060168 1066273174 /nfs/dbraw/zinc/27/31/74/1066273174.db2.gz WKABPZUSPOCGGP-BVZFJXPGSA-N 0 0 492.039 4.678 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CCCC2(CC2)CC1)c1ccc(Br)cc1 ZINC001454345870 1066273858 /nfs/dbraw/zinc/27/38/58/1066273858.db2.gz LIBNSZCIBAHASF-OAQYLSRUSA-N 0 0 451.405 4.982 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Nc3ccn(C)n3)nnc2-c2ccc(OC)c(Br)c2)O1 ZINC001546060380 1066274467 /nfs/dbraw/zinc/27/44/67/1066274467.db2.gz ZEORUOIAUIKLBR-QVKFZJNVSA-N 0 0 475.391 4.541 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CCC(=O)NC(C)(C)C)c2ccccc2n1 ZINC001361046176 1066274634 /nfs/dbraw/zinc/27/46/34/1066274634.db2.gz XYIQBFGFRDSYBK-FQEVSTJZSA-N 0 0 460.626 4.899 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCC(C)C)C1 ZINC001546060406 1066274609 /nfs/dbraw/zinc/27/46/09/1066274609.db2.gz ZOANMUWVMOPUGT-FTJBHMTQSA-N 0 0 455.647 4.961 20 0 JJADRN CC(C)(NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc2ccccc2c1 ZINC001454354131 1066274692 /nfs/dbraw/zinc/27/46/92/1066274692.db2.gz JTENBRCPGYPKAD-UHFFFAOYSA-N 0 0 458.583 4.983 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cc(F)ccc1Br ZINC001361046312 1066275154 /nfs/dbraw/zinc/27/51/54/1066275154.db2.gz BSXVDRXQQIGLAY-RDTXWAMCSA-N 0 0 457.384 4.815 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCOc2cc(F)ccc2C1 ZINC001454358907 1066275123 /nfs/dbraw/zinc/27/51/23/1066275123.db2.gz BCTUPPQHVNMWFO-QFIPXVFZSA-N 0 0 452.913 4.762 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(Br)c(Cl)c2F)o1 ZINC001361046320 1066275658 /nfs/dbraw/zinc/27/56/58/1066275658.db2.gz BYSGACKQSQJSJI-OAHLLOKOSA-N 0 0 450.695 4.873 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)n1 ZINC001454368124 1066275932 /nfs/dbraw/zinc/27/59/32/1066275932.db2.gz DZORJNMUUJOHCH-HHHXNRCGSA-N 0 0 454.574 4.964 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1 ZINC001361046925 1066276422 /nfs/dbraw/zinc/27/64/22/1066276422.db2.gz PGKLVNFNGJIJJF-CALCHBBNSA-N 0 0 454.548 4.928 20 0 JJADRN Cc1ccc2sc(CNC(=O)C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC001454390968 1066276453 /nfs/dbraw/zinc/27/64/53/1066276453.db2.gz KTJOEXJUGBOEKX-UHFFFAOYSA-N 0 0 457.518 4.801 20 0 JJADRN O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC001454380397 1066276628 /nfs/dbraw/zinc/27/66/28/1066276628.db2.gz QQIDRAPOFWBZCE-IRLDBZIGSA-N 0 0 456.633 4.621 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@]2(CC=CCC2)C1)NC(=O)OC(C)(C)C ZINC001545954959 1066276684 /nfs/dbraw/zinc/27/66/84/1066276684.db2.gz MYEWTVVNFNPWLZ-IPVFLDMMSA-N 0 0 491.677 4.632 20 0 JJADRN Cc1c(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)cccc1OCC(F)(F)F ZINC001443169452 1066276775 /nfs/dbraw/zinc/27/67/75/1066276775.db2.gz WACPMFQSFVXBMA-UHFFFAOYSA-N 0 0 459.490 4.712 20 0 JJADRN COc1cncc(N2CCN(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)CC2)c1 ZINC001454380750 1066276722 /nfs/dbraw/zinc/27/67/22/1066276722.db2.gz NQIWUDFGKQOYLQ-UHFFFAOYSA-N 0 0 453.995 4.998 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC(Cc3cccc(Br)c3)C2)cc1 ZINC001454398787 1066277350 /nfs/dbraw/zinc/27/73/50/1066277350.db2.gz HDMFVUCVYSCFIR-UHFFFAOYSA-N 0 0 459.384 4.789 20 0 JJADRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC001443171184 1066277384 /nfs/dbraw/zinc/27/73/84/1066277384.db2.gz ZLCFPMOJLMOJRE-GOSISDBHSA-N 0 0 458.946 4.752 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)c2N1 ZINC001443171474 1066277393 /nfs/dbraw/zinc/27/73/93/1066277393.db2.gz ZPCQAFOEPXINMI-BFUOFWGJSA-N 0 0 475.446 4.763 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCNC(=O)C(C)C)n2CCc2ccc(Cl)s2)c2ccccc2n1 ZINC001361048418 1066277613 /nfs/dbraw/zinc/27/76/13/1066277613.db2.gz BYPNWBXQZGYCPF-UHFFFAOYSA-N 0 0 497.068 4.968 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545955322 1066278459 /nfs/dbraw/zinc/27/84/59/1066278459.db2.gz SJSODPMNMCZCLD-DNQXCXABSA-N 0 0 490.652 4.804 20 0 JJADRN C/C=C\C[C@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001454410104 1066280271 /nfs/dbraw/zinc/28/02/71/1066280271.db2.gz KFPOUCXOJDLNLU-KVLZDYKBSA-N 0 0 452.576 4.965 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)c2ccc(Br)c(F)c2)c(Br)c1 ZINC001454422064 1066280814 /nfs/dbraw/zinc/28/08/14/1066280814.db2.gz DSWRZCUZQXJUNB-UHFFFAOYSA-N 0 0 457.137 4.591 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2Br)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001443211791 1066280763 /nfs/dbraw/zinc/28/07/63/1066280763.db2.gz ZIYAFRADQBQMGG-LQOIVRHRSA-N 0 0 451.320 4.617 20 0 JJADRN C[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443213383 1066280977 /nfs/dbraw/zinc/28/09/77/1066280977.db2.gz JQGFLSUUNXUUKA-SVCSISOJSA-N 0 0 454.542 4.695 20 0 JJADRN C/C=C\C[C@@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001454414993 1066280979 /nfs/dbraw/zinc/28/09/79/1066280979.db2.gz UFMJKQDBZMAJHB-XQJDBVBESA-N 0 0 457.294 4.867 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049279 1066281272 /nfs/dbraw/zinc/28/12/72/1066281272.db2.gz YLTJXHDALVETKA-FUHWJXTLSA-N 0 0 450.587 4.561 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1 ZINC001454436254 1066281291 /nfs/dbraw/zinc/28/12/91/1066281291.db2.gz SQSHDCARBQEDSI-OAQYLSRUSA-N 0 0 450.579 4.861 20 0 JJADRN O=C(C/C=C\c1ccc(Br)cc1)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454425740 1066281321 /nfs/dbraw/zinc/28/13/21/1066281321.db2.gz ORXBXTRZEZMCFU-UPHRSURJSA-N 0 0 455.121 4.753 20 0 JJADRN O=C(NCCc1c[nH]c2c1cccc2Cl)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001454448382 1066283478 /nfs/dbraw/zinc/28/34/78/1066283478.db2.gz FRCTWHXNOSSNAO-UHFFFAOYSA-N 0 0 451.811 4.532 20 0 JJADRN CC[C@H](C(=O)N1CCN(Cc2cccc3cccnc32)CC1)c1ccc(Br)cc1 ZINC001454450471 1066283556 /nfs/dbraw/zinc/28/35/56/1066283556.db2.gz OVULUMDHUXKDQO-QFIPXVFZSA-N 0 0 452.396 4.835 20 0 JJADRN CCc1c(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)n[nH]c1-c1ccncc1 ZINC001443246999 1066283515 /nfs/dbraw/zinc/28/35/15/1066283515.db2.gz NZDQZVHACIDUBH-UHFFFAOYSA-N 0 0 452.584 4.799 20 0 JJADRN Cn1c(C=O)c(Br)cc1C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC001443244123 1066283682 /nfs/dbraw/zinc/28/36/82/1066283682.db2.gz ODNGYRGKIQXFLJ-UHFFFAOYSA-N 0 0 454.162 4.562 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc1 ZINC001443254221 1066284147 /nfs/dbraw/zinc/28/41/47/1066284147.db2.gz ODWAMCMEUQFZRZ-INIZCTEOSA-N 0 0 454.621 4.783 20 0 JJADRN O=C(c1ccc2ccc(Br)cc2c1)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001454455964 1066284154 /nfs/dbraw/zinc/28/41/54/1066284154.db2.gz HZSQLCGZZLYHHD-UHFFFAOYSA-N 0 0 459.771 4.919 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001443251226 1066284385 /nfs/dbraw/zinc/28/43/85/1066284385.db2.gz ZJPNYWVAUWHAQW-VWLOTQADSA-N 0 0 457.530 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C(C)(C)[C@H]21 ZINC001454459580 1066285012 /nfs/dbraw/zinc/28/50/12/1066285012.db2.gz GWZZURMSHLWABP-AHRSYUTCSA-N 0 0 458.990 4.884 20 0 JJADRN Cc1cc(-c2nnc(N3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050308 1066285021 /nfs/dbraw/zinc/28/50/21/1066285021.db2.gz XFPLLDUWWYPHPX-QGZVFWFLSA-N 0 0 450.587 4.563 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCCOC(C)C)c2ccccc2n1 ZINC001361050297 1066285148 /nfs/dbraw/zinc/28/51/48/1066285148.db2.gz WZYLYIAAFDOCDU-NRFANRHFSA-N 0 0 492.668 4.748 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C)Cc2ccncc2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361050962 1066285926 /nfs/dbraw/zinc/28/59/26/1066285926.db2.gz GWRYKYRXNFVENN-MRXNPFEDSA-N 0 0 452.352 4.766 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)cs2)cc1OC ZINC001361051332 1066285940 /nfs/dbraw/zinc/28/59/40/1066285940.db2.gz OYIQXWLESZTUHY-UHFFFAOYSA-N 0 0 454.939 4.978 20 0 JJADRN COC[C@H](C)N(C(=O)CSc1nccn1-c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001454466163 1066286522 /nfs/dbraw/zinc/28/65/22/1066286522.db2.gz FBSQSMGYTXKLPQ-FDDCHVKYSA-N 0 0 451.592 4.524 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454471277 1066287841 /nfs/dbraw/zinc/28/78/41/1066287841.db2.gz YHBWACMHNDZNHV-CVDCTZTESA-N 0 0 454.542 4.685 20 0 JJADRN Cc1cc(CCC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)ccc1Br ZINC001443268380 1066287843 /nfs/dbraw/zinc/28/78/43/1066287843.db2.gz MTWVPWXVYBLTMJ-HXUWFJFHSA-N 0 0 450.380 4.821 20 0 JJADRN CCn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(-c2ccccc2)n1 ZINC001454470439 1066287887 /nfs/dbraw/zinc/28/78/87/1066287887.db2.gz PMIIQZLPLOUOAG-BWAGFHJFSA-N 0 0 452.599 4.724 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC ZINC001545956345 1066288020 /nfs/dbraw/zinc/28/80/20/1066288020.db2.gz AQGJTPZEVAWDSS-GOEBONIOSA-N 0 0 461.326 4.911 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454471276 1066288056 /nfs/dbraw/zinc/28/80/56/1066288056.db2.gz YHBWACMHNDZNHV-AUSIDOKSSA-N 0 0 454.542 4.685 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052790 1066288436 /nfs/dbraw/zinc/28/84/36/1066288436.db2.gz WMZPYEHSEDMVSZ-YSIASYRMSA-N 0 0 494.640 4.576 20 0 JJADRN O=C(c1ccccc1Oc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454475034 1066288441 /nfs/dbraw/zinc/28/84/41/1066288441.db2.gz WACBDDXUKDDLLE-UHFFFAOYSA-N 0 0 454.448 4.982 20 0 JJADRN CC(C)NC(=O)N1CCC[C@H]1C(=O)N(C)CCCN1c2ccccc2Sc2ccccc21 ZINC001454472819 1066288590 /nfs/dbraw/zinc/28/85/90/1066288590.db2.gz RHCZUJTUTJROSB-NRFANRHFSA-N 0 0 452.624 4.720 20 0 JJADRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccc(Cl)cc3)s2)s1 ZINC001443278845 1066289075 /nfs/dbraw/zinc/28/90/75/1066289075.db2.gz DCANPDYDJVZOQK-AWEZNQCLSA-N 0 0 450.010 4.987 20 0 JJADRN CCc1ccc(C2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1 ZINC001454476260 1066289158 /nfs/dbraw/zinc/28/91/58/1066289158.db2.gz PJFYXLUHPXZVFV-UHFFFAOYSA-N 0 0 454.636 4.752 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCCC2(C)C)no1 ZINC001361053594 1066289593 /nfs/dbraw/zinc/28/95/93/1066289593.db2.gz MLBFZWVRMWTYSO-OXJNMPFZSA-N 0 0 459.978 4.819 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3-c3ccccc3Cl)CCN2)c1 ZINC001454479538 1066289686 /nfs/dbraw/zinc/28/96/86/1066289686.db2.gz VVOPACCKYQBXQM-JOCHJYFZSA-N 0 0 452.986 4.754 20 0 JJADRN COC[C@@H](C)N(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001454477696 1066289950 /nfs/dbraw/zinc/28/99/50/1066289950.db2.gz VCNJOFNPXYZDBA-SLYNCCJLSA-N 0 0 450.645 4.574 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C ZINC001443289269 1066289961 /nfs/dbraw/zinc/28/99/61/1066289961.db2.gz BUJXFZFPEFOXMT-IBGZPJMESA-N 0 0 458.558 4.889 20 0 JJADRN C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443293029 1066290502 /nfs/dbraw/zinc/29/05/02/1066290502.db2.gz LQJDRVCKMNZDFR-PGRDOPGGSA-N 0 0 458.002 4.891 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccc(C(F)(F)F)n2)no1 ZINC001361054698 1066290844 /nfs/dbraw/zinc/29/08/44/1066290844.db2.gz BVCBGOAECWOTDN-UHFFFAOYSA-N 0 0 494.424 4.941 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC(C)C)c2C)no1 ZINC001361054733 1066290864 /nfs/dbraw/zinc/29/08/64/1066290864.db2.gz DCWSTLUYPRFYRM-UHFFFAOYSA-N 0 0 453.978 4.741 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)Oc1ccccc1F ZINC001545956764 1066291042 /nfs/dbraw/zinc/29/10/42/1066291042.db2.gz IUMCPBOYHMFUMG-QAPCUYQASA-N 0 0 450.967 4.876 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2C)C1)OC ZINC001545956790 1066291085 /nfs/dbraw/zinc/29/10/85/1066291085.db2.gz JDJXBNUONPXUMC-HKUYNNGSSA-N 0 0 472.431 4.773 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361054915 1066291902 /nfs/dbraw/zinc/29/19/02/1066291902.db2.gz KNXJRFSRZVPPPH-PKOBYXMFSA-N 0 0 472.431 4.664 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2c(C)cccc2C)no1 ZINC001361054867 1066292077 /nfs/dbraw/zinc/29/20/77/1066292077.db2.gz JCALYMXMNUJXOB-UHFFFAOYSA-N 0 0 469.387 4.828 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCc2ccc(Br)s2)o1 ZINC001361054886 1066292152 /nfs/dbraw/zinc/29/21/52/1066292152.db2.gz JQELBAABOPMKGJ-UHFFFAOYSA-N 0 0 462.373 4.846 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC001443303556 1066292516 /nfs/dbraw/zinc/29/25/16/1066292516.db2.gz OHBJUOUZWKLHID-QPPBQGQZSA-N 0 0 456.652 4.570 20 0 JJADRN Cc1[nH]c2c(cccc2C(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001454491667 1066292625 /nfs/dbraw/zinc/29/26/25/1066292625.db2.gz KRAMMPSMRCQMSG-FQEVSTJZSA-N 0 0 455.599 4.663 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC001454493699 1066292658 /nfs/dbraw/zinc/29/26/58/1066292658.db2.gz WDACLFKVGYTIFY-FGZHOGPDSA-N 0 0 465.347 4.650 20 0 JJADRN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443303621 1066293134 /nfs/dbraw/zinc/29/31/34/1066293134.db2.gz OPHGNPKOJIYWLD-STZQEDGTSA-N 0 0 455.396 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001454495779 1066293195 /nfs/dbraw/zinc/29/31/95/1066293195.db2.gz JXUPLGJEXLJIDN-UHFFFAOYSA-N 0 0 458.921 4.626 20 0 JJADRN COc1cccc([C@H](O)C2CCN(C(=O)C(F)(F)c3ccc(Br)cc3)CC2)c1 ZINC001454499003 1066293210 /nfs/dbraw/zinc/29/32/10/1066293210.db2.gz PJZUNPSXUUDXSY-LJQANCHMSA-N 0 0 454.311 4.522 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 ZINC001546062215 1066293689 /nfs/dbraw/zinc/29/36/89/1066293689.db2.gz MPXWMZYAFURYEF-AUSIDOKSSA-N 0 0 462.063 4.774 20 0 JJADRN COc1cccc2c1OC[C@@H](NC(=O)c1cc3cc(NC(=O)OC(C)(C)C)ccc3s1)C2 ZINC001443308799 1066293811 /nfs/dbraw/zinc/29/38/11/1066293811.db2.gz DSQAAKFHSUZUGR-KRWDZBQOSA-N 0 0 454.548 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@@H]1CCCC12CC2)c1ccc(Br)cc1 ZINC001454507002 1066294357 /nfs/dbraw/zinc/29/43/57/1066294357.db2.gz YDGFWGJXGRXOME-HRAATJIYSA-N 0 0 451.405 4.886 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545956984 1066295111 /nfs/dbraw/zinc/29/51/11/1066295111.db2.gz MLOMBJSQZOPMKB-JKIFEVAISA-N 0 0 457.363 4.860 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)no1 ZINC001361056094 1066295220 /nfs/dbraw/zinc/29/52/20/1066295220.db2.gz CGFCCCMUJRSQEL-UHFFFAOYSA-N 0 0 459.337 4.659 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCCOCC2CC2)no1 ZINC001361056068 1066295257 /nfs/dbraw/zinc/29/52/57/1066295257.db2.gz BDDDRDWFQGCLSU-UHFFFAOYSA-N 0 0 478.366 4.596 20 0 JJADRN CCN1c2ccc(NC(=O)[C@H]3CCCN3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512581 1066295301 /nfs/dbraw/zinc/29/53/01/1066295301.db2.gz NGFGXEKQUYGOPZ-OAQYLSRUSA-N 0 0 455.986 4.715 20 0 JJADRN CCN1c2ccc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)cc2OCC(C)(C)C1=O ZINC001454513998 1066295373 /nfs/dbraw/zinc/29/53/73/1066295373.db2.gz QSZJSPOTDXGTOK-DEOSSOPVSA-N 0 0 455.942 4.633 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)C1 ZINC001546062590 1066295673 /nfs/dbraw/zinc/29/56/73/1066295673.db2.gz UCYJCSPDCDNJFG-QHCPKHFHSA-N 0 0 473.408 4.585 20 0 JJADRN Cn1ncc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1C1CC1 ZINC001454523331 1066296013 /nfs/dbraw/zinc/29/60/13/1066296013.db2.gz MVHNFDSFKYYLME-UHFFFAOYSA-N 0 0 453.568 4.944 20 0 JJADRN Cc1ccc(C(=O)N2CCc3ccnc(N)c3C2)cc1OCc1csc(Br)c1 ZINC001454534390 1066296668 /nfs/dbraw/zinc/29/66/68/1066296668.db2.gz RMBITRPNBPGGFQ-UHFFFAOYSA-N 0 0 458.381 4.574 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Cl)n2CCc2nccc(C(F)(F)F)n2)no1 ZINC001361056324 1066296595 /nfs/dbraw/zinc/29/65/95/1066296595.db2.gz LZKJQLNCVYZMRX-UHFFFAOYSA-N 0 0 477.878 4.583 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@@H]1C)OC ZINC001545957113 1066296732 /nfs/dbraw/zinc/29/67/32/1066296732.db2.gz PBJOOAWVWDAKMA-YJBOKZPZSA-N 0 0 458.404 4.595 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(N(C)C)nc2)no1 ZINC001361056540 1066297167 /nfs/dbraw/zinc/29/71/67/1066297167.db2.gz UAUZPAUASYUMDH-UHFFFAOYSA-N 0 0 472.380 4.694 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[C@H](F)C2)no1 ZINC001361056667 1066297252 /nfs/dbraw/zinc/29/72/52/1066297252.db2.gz YKTHRJNNBRNAAZ-KBPBESRZSA-N 0 0 466.330 4.918 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@@H](O)C2)no1 ZINC001361056703 1066297275 /nfs/dbraw/zinc/29/72/75/1066297275.db2.gz ZWYBGPRMSWUWGD-RHSMWYFYSA-N 0 0 450.370 4.736 20 0 JJADRN CCON(C(=O)c1nn(C(C)C)c(=O)c2ccccc21)[C@H](C)c1cccc(Br)c1 ZINC001454540093 1066297797 /nfs/dbraw/zinc/29/77/97/1066297797.db2.gz LUAONKCFTLQHRA-OAHLLOKOSA-N 0 0 458.356 4.895 20 0 JJADRN CN(CCOc1cccc(C(=O)NCc2ccsc2C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001454539615 1066297919 /nfs/dbraw/zinc/29/79/19/1066297919.db2.gz MNVXBAHUXPYYKT-UHFFFAOYSA-N 0 0 458.502 4.943 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cccc(F)c1Cl ZINC001454539671 1066297973 /nfs/dbraw/zinc/29/79/73/1066297973.db2.gz OENFIYWOQCSQKQ-UHFFFAOYSA-N 0 0 454.672 4.981 20 0 JJADRN CCCCN(CCOC)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001443348353 1066297825 /nfs/dbraw/zinc/29/78/25/1066297825.db2.gz SIRHXPYONOULKQ-UHFFFAOYSA-N 0 0 459.395 4.683 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1C)c1ccccc1 ZINC001443352530 1066298673 /nfs/dbraw/zinc/29/86/73/1066298673.db2.gz DPLZNDGUCGCDLJ-LJQANCHMSA-N 0 0 457.983 4.737 20 0 JJADRN Cc1nnc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cccc(C)c2)s1 ZINC001361059391 1066298953 /nfs/dbraw/zinc/29/89/53/1066298953.db2.gz AEFLKCMCFFDJJH-FQEVSTJZSA-N 0 0 497.669 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)c3ccccc3n2)c(C)c1 ZINC001361059069 1066299100 /nfs/dbraw/zinc/29/91/00/1066299100.db2.gz ZBXQZTYTQPFJBM-JWQCQUIFSA-N 0 0 450.604 4.946 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cs1 ZINC001443355086 1066299139 /nfs/dbraw/zinc/29/91/39/1066299139.db2.gz FTVYOXPCLRVSNP-UHFFFAOYSA-N 0 0 454.524 4.738 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001443353405 1066299249 /nfs/dbraw/zinc/29/92/49/1066299249.db2.gz HEYCGIIAVVMEFY-FCEUIQTBSA-N 0 0 464.050 4.894 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1ccncc1 ZINC001454549997 1066299758 /nfs/dbraw/zinc/29/97/58/1066299758.db2.gz TXHWFGQQASFOQU-AWEZNQCLSA-N 0 0 456.315 4.769 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC001443356948 1066299756 /nfs/dbraw/zinc/29/97/56/1066299756.db2.gz LADGQLFDLWGNKH-WAQVGJNASA-N 0 0 470.595 4.766 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccnc(OCC(F)F)c1)C(F)(F)F ZINC001361059872 1066299749 /nfs/dbraw/zinc/29/97/49/1066299749.db2.gz PCSYXQZUACFYFL-IBGZPJMESA-N 0 0 455.383 4.988 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001443356366 1066299951 /nfs/dbraw/zinc/29/99/51/1066299951.db2.gz FYWUGMQWHWJPTJ-JOCHJYFZSA-N 0 0 451.567 4.751 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361060311 1066300094 /nfs/dbraw/zinc/30/00/94/1066300094.db2.gz MCTMHUAZBDTELO-FQEVSTJZSA-N 0 0 457.619 4.768 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361060352 1066300184 /nfs/dbraw/zinc/30/01/84/1066300184.db2.gz MUVOZNRHIDIUNP-LJQANCHMSA-N 0 0 459.516 4.773 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@@]3(C)C[C@H]4C[C@H]4C3)cc2)cc1 ZINC001454550568 1066300382 /nfs/dbraw/zinc/30/03/82/1066300382.db2.gz AMGHUBRYKVJHOC-ACWUQQCTSA-N 0 0 454.636 4.629 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCC3(C)C)n2)cc1 ZINC001443357240 1066300239 /nfs/dbraw/zinc/30/02/39/1066300239.db2.gz NHZSBGSFQDLLSK-GOSISDBHSA-N 0 0 458.584 4.743 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cccn2)c1 ZINC001361060816 1066300612 /nfs/dbraw/zinc/30/06/12/1066300612.db2.gz WJVSJKYOBYSOKD-HSZRJFAPSA-N 0 0 493.656 4.624 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1C[C@@H]1CCCOC1 ZINC001443358929 1066301322 /nfs/dbraw/zinc/30/13/22/1066301322.db2.gz MXWOQGBDHLLUID-JYFHCDHNSA-N 0 0 459.590 4.511 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(Br)s2)c1 ZINC001361061479 1066301302 /nfs/dbraw/zinc/30/13/02/1066301302.db2.gz MTYDYDXJPPPYDU-QGZVFWFLSA-N 0 0 461.429 4.794 20 0 JJADRN O=Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)c2)c1 ZINC001454564843 1066301228 /nfs/dbraw/zinc/30/12/28/1066301228.db2.gz LQHRPEZEJSKFEI-OAQYLSRUSA-N 0 0 452.913 4.879 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC(C)(C)CC[C@H]1O ZINC001454571191 1066301743 /nfs/dbraw/zinc/30/17/43/1066301743.db2.gz CQBQMPBCEMEXLR-PRVBGKCFSA-N 0 0 464.606 4.750 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC(C)(C)CC[C@H]1O ZINC001454571188 1066301897 /nfs/dbraw/zinc/30/18/97/1066301897.db2.gz CQBQMPBCEMEXLR-GKAFBRTNSA-N 0 0 464.606 4.750 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F)N1CCC(CCF)CC1 ZINC001454565871 1066301957 /nfs/dbraw/zinc/30/19/57/1066301957.db2.gz XYPIHIKCTNEVHC-UHFFFAOYSA-N 0 0 454.802 4.787 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001361063363 1066302108 /nfs/dbraw/zinc/30/21/08/1066302108.db2.gz IZMIORVZCXBVKK-UHFFFAOYSA-N 0 0 476.625 4.608 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)n2)cc1 ZINC001443360861 1066302062 /nfs/dbraw/zinc/30/20/62/1066302062.db2.gz VUVXTUSISHAQAE-QGZVFWFLSA-N 0 0 458.584 4.600 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001361063079 1066302325 /nfs/dbraw/zinc/30/23/25/1066302325.db2.gz DHVDBKFDXNXLPI-UHFFFAOYSA-N 0 0 496.681 4.978 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC001454572251 1066302323 /nfs/dbraw/zinc/30/23/23/1066302323.db2.gz PKDRLCSZFOISJS-SAABIXHNSA-N 0 0 457.596 4.814 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N(Cc2cc(C)nc3ccccc23)C2CCCC2)cc1 ZINC001443364267 1066302370 /nfs/dbraw/zinc/30/23/70/1066302370.db2.gz NEWNUEVNYQZJJE-UHFFFAOYSA-N 0 0 450.604 4.987 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@]1(C)CC1(Br)Br ZINC001361063817 1066302608 /nfs/dbraw/zinc/30/26/08/1066302608.db2.gz SPXFDPXXMZTYNF-SFHVURJKSA-N 0 0 452.190 4.993 20 0 JJADRN COc1cccc(-c2nc(C(=O)Nc3nc(-c4ccc(OC)c(OC)c4)cs3)c(C)[nH]2)c1 ZINC001443367786 1066302854 /nfs/dbraw/zinc/30/28/54/1066302854.db2.gz IFQFAGZTEGXYRJ-UHFFFAOYSA-N 0 0 450.520 4.787 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC001454573229 1066303247 /nfs/dbraw/zinc/30/32/47/1066303247.db2.gz XPJVSLZVYVWPKD-JOCHJYFZSA-N 0 0 455.530 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1 ZINC001443377599 1066303363 /nfs/dbraw/zinc/30/33/63/1066303363.db2.gz AQLDOQFCRGIYPB-KRWDZBQOSA-N 0 0 453.539 4.554 20 0 JJADRN Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CCCCn2cc(Br)cn2)c1 ZINC001361064151 1066303439 /nfs/dbraw/zinc/30/34/39/1066303439.db2.gz XNNZWZWQUBNAOX-UHFFFAOYSA-N 0 0 494.441 4.648 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361064583 1066303741 /nfs/dbraw/zinc/30/37/41/1066303741.db2.gz KFLOFXCSENCRMI-ZJSXRUAMSA-N 0 0 481.666 4.666 20 0 JJADRN O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC001443385406 1066304046 /nfs/dbraw/zinc/30/40/46/1066304046.db2.gz STVPDKHBLMIIQE-QHCPKHFHSA-N 0 0 452.505 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC(C)(C)C1 ZINC001454581469 1066304237 /nfs/dbraw/zinc/30/42/37/1066304237.db2.gz QCHDWWMKHWXDTG-YQVWRLOYSA-N 0 0 470.532 4.711 20 0 JJADRN CSc1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)n1-c1ccccc1 ZINC001454578687 1066304424 /nfs/dbraw/zinc/30/44/24/1066304424.db2.gz LRPXIKUMHHYAQY-QGZVFWFLSA-N 0 0 458.628 4.750 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2c(C)[nH]c3ccc(F)cc32)c1 ZINC001454580250 1066304513 /nfs/dbraw/zinc/30/45/13/1066304513.db2.gz VVBMOMRXZDNNPD-QFIPXVFZSA-N 0 0 455.530 4.549 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001443389059 1066304514 /nfs/dbraw/zinc/30/45/14/1066304514.db2.gz GQVXUDWDIVUARS-SJLPKXTDSA-N 0 0 458.183 4.575 20 0 JJADRN CN(C)c1cccc(COC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1 ZINC001361065346 1066304621 /nfs/dbraw/zinc/30/46/21/1066304621.db2.gz PLVIORIFWDMZCN-UHFFFAOYSA-N 0 0 451.567 4.979 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)c1ccccc1Cl ZINC001361065259 1066304637 /nfs/dbraw/zinc/30/46/37/1066304637.db2.gz LWOHVAFTESYKQC-CJAUYULYSA-N 0 0 450.966 4.692 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001454582957 1066304862 /nfs/dbraw/zinc/30/48/62/1066304862.db2.gz BKVMZXHQJBULHL-LRDDRELGSA-N 0 0 453.461 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC(C)(C)C1 ZINC001454581654 1066305082 /nfs/dbraw/zinc/30/50/82/1066305082.db2.gz QUHWTLLCLLYAHK-OAHLLOKOSA-N 0 0 454.493 4.509 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC(F)(F)F)c1 ZINC001361066120 1066305228 /nfs/dbraw/zinc/30/52/28/1066305228.db2.gz CRXRUICVCAEOKG-KDURUIRLSA-N 0 0 497.562 4.920 20 0 JJADRN Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCCCC2=O)no1 ZINC001361066109 1066305467 /nfs/dbraw/zinc/30/54/67/1066305467.db2.gz CAALCAJYVOJWBS-UHFFFAOYSA-N 0 0 489.045 4.559 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN2)cc1 ZINC001454588353 1066305310 /nfs/dbraw/zinc/30/53/10/1066305310.db2.gz SPJGQKHXSADHTA-NRUPQRNLSA-N 0 0 458.402 4.919 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccc(F)cc2)no1 ZINC001361066434 1066305689 /nfs/dbraw/zinc/30/56/89/1066305689.db2.gz JUHJBMNORSRDLB-NRFANRHFSA-N 0 0 484.576 4.665 20 0 JJADRN COC(=O)c1occc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H](C)c1ccccn1 ZINC001361066457 1066305795 /nfs/dbraw/zinc/30/57/95/1066305795.db2.gz XHRUGVMATLTXGJ-UIAACRFSSA-N 0 0 470.472 4.956 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361066709 1066306190 /nfs/dbraw/zinc/30/61/90/1066306190.db2.gz PEOLDWBWWDXAHK-MBSDFSHPSA-N 0 0 471.577 4.770 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2CCOCC2)c1 ZINC001361066547 1066306208 /nfs/dbraw/zinc/30/62/08/1066306208.db2.gz LYMCTNYOUAKUCC-ZRZAMGCNSA-N 0 0 483.657 4.810 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2ccc(F)cc2)no1 ZINC001361066641 1066306403 /nfs/dbraw/zinc/30/64/03/1066306403.db2.gz NGWUUCYDVOPIID-MTNREXPMSA-N 0 0 471.577 4.736 20 0 JJADRN O=C(NCCCCNc1ccccn1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443407185 1066306558 /nfs/dbraw/zinc/30/65/58/1066306558.db2.gz LLWGGEXVTAURGN-RPLLCQBOSA-N 0 0 456.590 4.570 20 0 JJADRN CCCSc1cccc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)n1 ZINC001454595328 1066306667 /nfs/dbraw/zinc/30/66/67/1066306667.db2.gz QTOVVYYASSAHQT-UHFFFAOYSA-N 0 0 455.584 4.597 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cccc(C)c2)s1 ZINC001361066831 1066306997 /nfs/dbraw/zinc/30/69/97/1066306997.db2.gz UTEALGBZZQIDAU-IFMALSPDSA-N 0 0 468.671 4.934 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc3cccn3cn2)c2ccc(Br)cc21 ZINC001454593490 1066307035 /nfs/dbraw/zinc/30/70/35/1066307035.db2.gz HWHQPXFHKPJOMX-INIZCTEOSA-N 0 0 456.340 4.573 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)COC3)c2ccc(Br)cc21 ZINC001454593762 1066307085 /nfs/dbraw/zinc/30/70/85/1066307085.db2.gz JLYZZPNRKHVCBG-SFHVURJKSA-N 0 0 458.352 4.955 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)no1 ZINC001361066895 1066307348 /nfs/dbraw/zinc/30/73/48/1066307348.db2.gz XGHURJIJTPXHKC-JTSKRJEESA-N 0 0 459.978 4.504 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccnc(F)c2F)c2ccc(Br)cc21 ZINC001454596869 1066307266 /nfs/dbraw/zinc/30/72/66/1066307266.db2.gz VFMCPDJYPQQXCL-GFCCVEGCSA-N 0 0 453.283 4.598 20 0 JJADRN COc1c(N)c(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc(Cl)c1Br ZINC001443409384 1066307541 /nfs/dbraw/zinc/30/75/41/1066307541.db2.gz OSWNGUQOEFIIDR-UHFFFAOYSA-N 0 0 456.127 4.785 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2F)c2ccc(Br)cc21 ZINC001454595576 1066307385 /nfs/dbraw/zinc/30/73/85/1066307385.db2.gz QUOGDGKIUHASQU-CYBMUJFWSA-N 0 0 450.304 4.770 20 0 JJADRN Cn1cc(Cl)cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 ZINC001454595583 1066307517 /nfs/dbraw/zinc/30/75/17/1066307517.db2.gz QUQHPOBIJXGRRQ-AWEZNQCLSA-N 0 0 453.764 4.917 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCC2)no1 ZINC001361066903 1066307525 /nfs/dbraw/zinc/30/75/25/1066307525.db2.gz XKCAULAKYFCXCI-ICSRJNTNSA-N 0 0 456.591 4.639 20 0 JJADRN Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2ccc(F)cc2)C(C)C)cs1 ZINC001361067351 1066307853 /nfs/dbraw/zinc/30/78/53/1066307853.db2.gz OJPBYSCNTJXRRM-UHFFFAOYSA-N 0 0 464.570 4.898 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545958301 1066307907 /nfs/dbraw/zinc/30/79/07/1066307907.db2.gz ASMWVGBVBSESKO-AZUAARDMSA-N 0 0 457.619 4.883 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001361068292 1066308309 /nfs/dbraw/zinc/30/83/09/1066308309.db2.gz CJXLMCYKPOPMSR-IERDGZPVSA-N 0 0 452.954 4.955 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)OC ZINC001545958317 1066308314 /nfs/dbraw/zinc/30/83/14/1066308314.db2.gz AVHXZGLDDQNTDE-ROUUACIJSA-N 0 0 490.555 4.862 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001361068295 1066308519 /nfs/dbraw/zinc/30/85/19/1066308519.db2.gz CJXLMCYKPOPMSR-IIBYNOLFSA-N 0 0 452.954 4.955 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545958320 1066308597 /nfs/dbraw/zinc/30/85/97/1066308597.db2.gz AWMIECVYTYTSGW-SCTDSRPQSA-N 0 0 477.556 4.839 20 0 JJADRN O=C(N[C@H](C(=O)Nc1nnc(-c2c(F)cccc2F)s1)c1ccccc1)c1ccccc1 ZINC001454603862 1066308674 /nfs/dbraw/zinc/30/86/74/1066308674.db2.gz ILNVZAKQQHMMMX-IBGZPJMESA-N 0 0 450.470 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)c3cccc4[nH]c(C(F)F)nc43)ccc2C1 ZINC001454607986 1066309036 /nfs/dbraw/zinc/30/90/36/1066309036.db2.gz GIAQAWAEFCFXHP-UHFFFAOYSA-N 0 0 458.465 4.882 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCSC[C@@H]2C)no1 ZINC001361070128 1066309253 /nfs/dbraw/zinc/30/92/53/1066309253.db2.gz DAYHCZMLWUMTRM-DOTOQJQBSA-N 0 0 462.019 4.975 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H](O)CCc2ccccc2)c2ccccc2)cc1Br ZINC001443418764 1066309329 /nfs/dbraw/zinc/30/93/29/1066309329.db2.gz WLVKPTYZJLWVQO-GGAORHGYSA-N 0 0 454.364 4.657 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1(C)C ZINC001443420370 1066309467 /nfs/dbraw/zinc/30/94/67/1066309467.db2.gz ZPZYHDLRIATXGE-CLOONOSVSA-N 0 0 455.555 4.911 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001545958398 1066309641 /nfs/dbraw/zinc/30/96/41/1066309641.db2.gz BZGOFSGZNSTKAP-KDOFPFPSSA-N 0 0 498.347 4.997 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545958397 1066309720 /nfs/dbraw/zinc/30/97/20/1066309720.db2.gz BZGOFSGZNSTKAP-KBXCAEBGSA-N 0 0 498.347 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)C1 ZINC001443427835 1066310050 /nfs/dbraw/zinc/31/00/50/1066310050.db2.gz HWBCPEWLFZVOLR-FQEVSTJZSA-N 0 0 459.587 4.721 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)cs1 ZINC001361070623 1066310018 /nfs/dbraw/zinc/31/00/18/1066310018.db2.gz QOHJZLDKUGPKHH-INIZCTEOSA-N 0 0 474.030 4.582 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccsc1)OC ZINC001545958409 1066310134 /nfs/dbraw/zinc/31/01/34/1066310134.db2.gz CFQKGJXMWKLYRJ-DOTOQJQBSA-N 0 0 450.406 4.864 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2=O)C1 ZINC001546063904 1066310316 /nfs/dbraw/zinc/31/03/16/1066310316.db2.gz FRHUILZUEJSCKA-QHCPKHFHSA-N 0 0 474.447 4.737 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)c2ccccc2C)no1 ZINC001361070832 1066310367 /nfs/dbraw/zinc/31/03/67/1066310367.db2.gz WDVOTSLVMLYCCR-INIZCTEOSA-N 0 0 469.387 4.897 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(N)=O)C2)cs1 ZINC001361070884 1066310402 /nfs/dbraw/zinc/31/04/02/1066310402.db2.gz XQURSXDBMFQYCJ-HKUYNNGSSA-N 0 0 488.057 4.808 20 0 JJADRN O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC001443434251 1066310699 /nfs/dbraw/zinc/31/06/99/1066310699.db2.gz SPIJKUXQEAXRNU-MSOLQXFVSA-N 0 0 454.514 4.500 20 0 JJADRN CN(CCOc1ccccc1C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)C(=O)OC(C)(C)C ZINC001454626032 1066310829 /nfs/dbraw/zinc/31/08/29/1066310829.db2.gz DYEDFLDNWGIFMF-VLCRHTCISA-N 0 0 456.970 4.654 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001454626494 1066310925 /nfs/dbraw/zinc/31/09/25/1066310925.db2.gz PNKMTEIPFCZSBL-UHFFFAOYSA-N 0 0 451.954 4.679 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 ZINC001454625394 1066310965 /nfs/dbraw/zinc/31/09/65/1066310965.db2.gz BJXWNRWGYKWTNX-MHZLTWQESA-N 0 0 452.595 4.534 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(Cl)=C(Cl)C2)no1 ZINC001361071038 1066310934 /nfs/dbraw/zinc/31/09/34/1066310934.db2.gz CFYCMVMSGOVSIR-UHFFFAOYSA-N 0 0 456.280 4.791 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cc(Cl)ccn1)OC ZINC001545958541 1066311319 /nfs/dbraw/zinc/31/13/19/1066311319.db2.gz GFGGSBFDODEFPQ-KRWDZBQOSA-N 0 0 451.905 4.656 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545958710 1066311880 /nfs/dbraw/zinc/31/18/80/1066311880.db2.gz JNNCLDPWUGUATI-HLLBOEOZSA-N 0 0 495.466 4.964 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC=C(C(F)(F)F)CC2)no1 ZINC001361071717 1066311860 /nfs/dbraw/zinc/31/18/60/1066311860.db2.gz NDNNUGGWQDMUEH-UHFFFAOYSA-N 0 0 486.267 4.890 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 ZINC001546063927 1066311997 /nfs/dbraw/zinc/31/19/97/1066311997.db2.gz GAFFSUOUWTWUAB-SMSORMJASA-N 0 0 490.471 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)C(C)(C)C1 ZINC001454630092 1066312135 /nfs/dbraw/zinc/31/21/35/1066312135.db2.gz CQQNFGIIQKOPFU-INIZCTEOSA-N 0 0 453.505 4.739 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(CCC(C)C)C2CC2)cs1 ZINC001361071761 1066312021 /nfs/dbraw/zinc/31/20/21/1066312021.db2.gz OJIBPMKWKHNRAT-UHFFFAOYSA-N 0 0 487.695 4.629 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC=C(Br)C2)no1 ZINC001361071454 1066312186 /nfs/dbraw/zinc/31/21/86/1066312186.db2.gz KFHVXKSTXSAHAV-UHFFFAOYSA-N 0 0 497.166 4.680 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545958712 1066312414 /nfs/dbraw/zinc/31/24/14/1066312414.db2.gz JNNCLDPWUGUATI-ZMSDIMECSA-N 0 0 495.466 4.964 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC001443447191 1066312430 /nfs/dbraw/zinc/31/24/30/1066312430.db2.gz GBMQMYXUIMHTOR-QFIPXVFZSA-N 0 0 456.586 4.826 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001443447153 1066312550 /nfs/dbraw/zinc/31/25/50/1066312550.db2.gz FNPSYGSPRIZLHW-UHFFFAOYSA-N 0 0 450.608 4.675 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443452221 1066312896 /nfs/dbraw/zinc/31/28/96/1066312896.db2.gz BCOFIOBBVKFZIN-INIZCTEOSA-N 0 0 457.968 4.666 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(C)c1 ZINC001361072166 1066312932 /nfs/dbraw/zinc/31/29/32/1066312932.db2.gz XTCCOACUWCXYGQ-UHFFFAOYSA-N 0 0 475.391 4.933 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)c3cc(Cl)ccc3I)cc2)o1 ZINC001361072328 1066312993 /nfs/dbraw/zinc/31/29/93/1066312993.db2.gz YSMMPKSLVXUCLE-UHFFFAOYSA-N 0 0 453.667 4.809 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2c(O)cnc3c(Br)cccc32)c2ccccc12 ZINC001454635702 1066313222 /nfs/dbraw/zinc/31/32/22/1066313222.db2.gz VYDDLBJFEJCDFY-UHFFFAOYSA-N 0 0 451.276 4.895 20 0 JJADRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 ZINC001443450131 1066313050 /nfs/dbraw/zinc/31/30/50/1066313050.db2.gz MXLZFUNAVHLDNT-DLBZAZTESA-N 0 0 454.518 4.556 20 0 JJADRN Cc1csc(Nc2ccc(NC(=O)c3cnn(-c4ccc(Br)cc4)n3)cc2)n1 ZINC001443448638 1066313129 /nfs/dbraw/zinc/31/31/29/1066313129.db2.gz LGTXNKLAYSSBCJ-UHFFFAOYSA-N 0 0 455.341 4.791 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1)NC(=O)OC(C)(C)C ZINC001545958777 1066313205 /nfs/dbraw/zinc/31/32/05/1066313205.db2.gz KQXZBBLWKWWGON-IBGZPJMESA-N 0 0 499.015 4.565 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001443455927 1066313634 /nfs/dbraw/zinc/31/36/34/1066313634.db2.gz LMKSOMILZHSXDU-HKUYNNGSSA-N 0 0 452.986 4.795 20 0 JJADRN CCn1c(C(=O)N(C)c2ccccc2C(=O)NCCc2ccc(OC)cc2)cc2ccccc21 ZINC001443454926 1066313695 /nfs/dbraw/zinc/31/36/95/1066313695.db2.gz UOQIIZPEADHQIB-UHFFFAOYSA-N 0 0 455.558 4.919 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001361072592 1066313756 /nfs/dbraw/zinc/31/37/56/1066313756.db2.gz IMXBNGADMYMYCQ-UHFFFAOYSA-N 0 0 455.946 4.905 20 0 JJADRN Cc1cc(Cn2c(-c3ccccn3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361073105 1066313966 /nfs/dbraw/zinc/31/39/66/1066313966.db2.gz CFPNINDVQCDLLT-ICSRJNTNSA-N 0 0 480.588 4.575 20 0 JJADRN Cc1cc(Cn2c(-c3ccccn3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361073106 1066314007 /nfs/dbraw/zinc/31/40/07/1066314007.db2.gz CFPNINDVQCDLLT-QUCCMNQESA-N 0 0 480.588 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@@](CO)(c4ccccc4)C3)ccc21 ZINC001454650189 1066314156 /nfs/dbraw/zinc/31/41/56/1066314156.db2.gz GZQXDFOCVZSTKT-HHHXNRCGSA-N 0 0 450.579 4.541 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N1CC(O)(c2cccc(Br)c2)C1 ZINC001454648180 1066314473 /nfs/dbraw/zinc/31/44/73/1066314473.db2.gz ZGHVKMOZWABRGI-UHFFFAOYSA-N 0 0 459.167 4.645 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)cs1 ZINC001361073863 1066314733 /nfs/dbraw/zinc/31/47/33/1066314733.db2.gz ROMODBLWPLFXQO-CQSZACIVSA-N 0 0 453.509 4.575 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)Cc1ccc(O)cc1 ZINC001443460729 1066314690 /nfs/dbraw/zinc/31/46/90/1066314690.db2.gz JIUTVCFUVHIALN-MLFXKNMZSA-N 0 0 455.963 4.935 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545959434 1066315281 /nfs/dbraw/zinc/31/52/81/1066315281.db2.gz VSOAHHTYANISCU-LJQANCHMSA-N 0 0 484.622 4.548 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001545959458 1066315308 /nfs/dbraw/zinc/31/53/08/1066315308.db2.gz WHGOPIUGCQOTBB-HMXCVIKNSA-N 0 0 490.048 4.907 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454654296 1066315385 /nfs/dbraw/zinc/31/53/85/1066315385.db2.gz GCPOHVAQLPTICY-GBESFXJTSA-N 0 0 455.640 4.612 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCCS2)C1 ZINC001546064168 1066315657 /nfs/dbraw/zinc/31/56/57/1066315657.db2.gz KMTDOVJCOXHBOF-KOSHJBKYSA-N 0 0 460.644 4.883 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)no1 ZINC001361075079 1066315522 /nfs/dbraw/zinc/31/55/22/1066315522.db2.gz ZIOQUUNWJFCHKJ-GOSISDBHSA-N 0 0 459.323 4.527 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cs1 ZINC001361074221 1066315662 /nfs/dbraw/zinc/31/56/62/1066315662.db2.gz YZAMWSDLDOZUHM-FQEVSTJZSA-N 0 0 481.666 4.880 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001361075291 1066315978 /nfs/dbraw/zinc/31/59/78/1066315978.db2.gz FMLJVTXUNUDUNS-QHCPKHFHSA-N 0 0 450.560 4.696 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001454655636 1066316066 /nfs/dbraw/zinc/31/60/66/1066316066.db2.gz JVSKRPOOBNENHC-QFBILLFUSA-N 0 0 454.489 4.689 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC001454656540 1066316086 /nfs/dbraw/zinc/31/60/86/1066316086.db2.gz OUJDLTHMAWJISL-SFTDATJTSA-N 0 0 450.023 4.600 20 0 JJADRN O=C([C@@H]1CCc2ccccc2O1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443481082 1066316379 /nfs/dbraw/zinc/31/63/79/1066316379.db2.gz QTIOWXKHNNUHPK-QFIPXVFZSA-N 0 0 455.327 4.906 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001546064203 1066316486 /nfs/dbraw/zinc/31/64/86/1066316486.db2.gz KXFRNQWRIVLOLO-DYESRHJHSA-N 0 0 452.441 4.734 20 0 JJADRN O=C([C@@H](O)CCc1ccccc1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443483740 1066316668 /nfs/dbraw/zinc/31/66/68/1066316668.db2.gz ZRNDABCMMAJYET-QFIPXVFZSA-N 0 0 457.343 4.506 20 0 JJADRN O=C(Cc1ccc2c[nH]nc2c1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443483340 1066316917 /nfs/dbraw/zinc/31/69/17/1066316917.db2.gz XILDLWUZVHOGKL-UHFFFAOYSA-N 0 0 453.315 4.631 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)(C)C)C1 ZINC001546064204 1066316709 /nfs/dbraw/zinc/31/67/09/1066316709.db2.gz KXFRNQWRIVLOLO-LAUBAEHRSA-N 0 0 452.441 4.734 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)ccc1F ZINC001361077507 1066316920 /nfs/dbraw/zinc/31/69/20/1066316920.db2.gz RNABHXMPINNDPE-MJGOQNOKSA-N 0 0 456.484 4.563 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001454660004 1066316998 /nfs/dbraw/zinc/31/69/98/1066316998.db2.gz NFBWGFQIQNUBGI-AZOIQLNYSA-N 0 0 456.302 4.776 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959196 1066317385 /nfs/dbraw/zinc/31/73/85/1066317385.db2.gz RIZDOBXVKOXPRU-RTBURBONSA-N 0 0 478.037 4.763 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)ccc1F ZINC001361077803 1066317700 /nfs/dbraw/zinc/31/77/00/1066317700.db2.gz AEPKZNYLYFXHQR-UHFFFAOYSA-N 0 0 484.664 4.963 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(O)(Cc3ccc(F)cc3)CC2)cs1 ZINC001361078434 1066317943 /nfs/dbraw/zinc/31/79/43/1066317943.db2.gz TWUQLQXEQBCRCF-UHFFFAOYSA-N 0 0 456.631 4.998 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(F)(F)F)CC1)OC ZINC001545959230 1066318202 /nfs/dbraw/zinc/31/82/02/1066318202.db2.gz SAJQVOBXHFRIAI-SFHVURJKSA-N 0 0 462.520 4.929 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H](OC)C(F)(F)F)C1 ZINC001546064273 1066318314 /nfs/dbraw/zinc/31/83/14/1066318314.db2.gz MJKWOQUISOKCFH-AVRDEDQJSA-N 0 0 486.535 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)ccc3OC(F)F)sc2C1 ZINC001443492811 1066318496 /nfs/dbraw/zinc/31/84/96/1066318496.db2.gz QEYGAGPMVGLFMA-UHFFFAOYSA-N 0 0 459.902 4.943 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@@H](O)c4cccnc4)CCC[C@]3(C)[C@@H]2CC1 ZINC001454676707 1066319025 /nfs/dbraw/zinc/31/90/25/1066319025.db2.gz WDZOXUQLAGHQMJ-TYVSHVNXSA-N 0 0 452.639 4.727 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)Cc1cccc(F)c1 ZINC001443495286 1066318890 /nfs/dbraw/zinc/31/88/90/1066318890.db2.gz ZRBUXOKKDPFSGM-HXUWFJFHSA-N 0 0 455.913 4.820 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080542 1066319128 /nfs/dbraw/zinc/31/91/28/1066319128.db2.gz MRQUAPZAYYBBGN-KNQAVFIVSA-N 0 0 496.681 4.812 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)(F)C(F)F)C1 ZINC001546064466 1066319385 /nfs/dbraw/zinc/31/93/85/1066319385.db2.gz PNNDVYBETKLNRB-QGZVFWFLSA-N 0 0 482.320 4.579 20 0 JJADRN CCc1c(NC(=O)c2cccc(OCC(F)F)n2)n[nH]c1-c1ccc(Br)cc1 ZINC001443499015 1066319443 /nfs/dbraw/zinc/31/94/43/1066319443.db2.gz LXSJWIDMLUZOBN-UHFFFAOYSA-N 0 0 451.271 4.693 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)c3cc4n(n3)CCC[C@H]4NC(=O)OC(C)(C)C)n2)s1 ZINC001443496345 1066319750 /nfs/dbraw/zinc/31/97/50/1066319750.db2.gz ZIXSNESLKBSPLS-CYBMUJFWSA-N 0 0 459.597 4.988 20 0 JJADRN Cc1cc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(-n2cccc2)s1 ZINC001443503245 1066320258 /nfs/dbraw/zinc/32/02/58/1066320258.db2.gz HXIDLWPAPAZLOE-UHFFFAOYSA-N 0 0 458.590 4.595 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@]3(O)CCCC(C)(C)CC3)c2)c1 ZINC001454692824 1066320394 /nfs/dbraw/zinc/32/03/94/1066320394.db2.gz YMPDSALBORQQIU-RUZDIDTESA-N 0 0 458.624 4.555 20 0 JJADRN CC(C)Cc1ccc(-c2csc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)n2)cc1 ZINC001443505127 1066320436 /nfs/dbraw/zinc/32/04/36/1066320436.db2.gz SQETWLRJYYBPDZ-UHFFFAOYSA-N 0 0 459.612 4.613 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3cc4c(Br)cccc4cn3)cc2)n1 ZINC001361081512 1066320517 /nfs/dbraw/zinc/32/05/17/1066320517.db2.gz ILHIOUPHFMDTFE-UHFFFAOYSA-N 0 0 454.280 4.741 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001454694607 1066320948 /nfs/dbraw/zinc/32/09/48/1066320948.db2.gz HTBSHXIYBTUHKZ-UHFFFAOYSA-N 0 0 452.780 4.777 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3csc(C4CCCCC4)n3)cc2)cc1 ZINC001443512600 1066321136 /nfs/dbraw/zinc/32/11/36/1066321136.db2.gz FIYLABCGMOXJDJ-UHFFFAOYSA-N 0 0 457.577 4.883 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC001361082172 1066321329 /nfs/dbraw/zinc/32/13/29/1066321329.db2.gz WOGHTDDBXYWMMK-UHFFFAOYSA-N 0 0 452.230 4.575 20 0 JJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)CC[C@@H](O)c3ccc(C(C)(C)C)cc3)n2)o1 ZINC001443509106 1066321388 /nfs/dbraw/zinc/32/13/88/1066321388.db2.gz YEGAFTHUCIUASO-HXUWFJFHSA-N 0 0 455.580 4.789 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545959368 1066321411 /nfs/dbraw/zinc/32/14/11/1066321411.db2.gz UZYNXZZKHXSWOA-LPHOPBHVSA-N 0 0 493.029 4.680 20 0 JJADRN C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)Oc1cccc(Cl)c1 ZINC001361083246 1066321516 /nfs/dbraw/zinc/32/15/16/1066321516.db2.gz SMXNYNZZVCFCCF-MGPUTAFESA-N 0 0 450.938 4.671 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001546064580 1066321712 /nfs/dbraw/zinc/32/17/12/1066321712.db2.gz RXBPPPNAYBZXRC-ZFWHIUCFSA-N 0 0 470.658 4.833 20 0 JJADRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc(Cl)ncc1Br ZINC001443514649 1066321687 /nfs/dbraw/zinc/32/16/87/1066321687.db2.gz DUSOMESMELJUAN-UHFFFAOYSA-N 0 0 455.743 4.826 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1C(F)(F)F ZINC001443514105 1066321723 /nfs/dbraw/zinc/32/17/23/1066321723.db2.gz DBBMBYHIHHXFBA-UHFFFAOYSA-N 0 0 455.484 4.985 20 0 JJADRN Nc1c(Br)cc(Br)cc1C(=O)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001454703963 1066321973 /nfs/dbraw/zinc/32/19/73/1066321973.db2.gz HGVFOPKKPXMITN-XPKDYRNWSA-N 0 0 450.174 4.670 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)c2ccccc2)no1 ZINC001361083490 1066321960 /nfs/dbraw/zinc/32/19/60/1066321960.db2.gz FIYJYCJJPTYWSA-UIFIKXQLSA-N 0 0 480.613 4.633 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CCOCC2)cs1 ZINC001361083937 1066322229 /nfs/dbraw/zinc/32/22/29/1066322229.db2.gz JLQRDHUAAOVLAG-OYRHEFFESA-N 0 0 489.686 4.720 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCO[C@H](CCF)C3)cc12 ZINC001454705687 1066322731 /nfs/dbraw/zinc/32/27/31/1066322731.db2.gz CXCOWVNSRVMGLL-OAHLLOKOSA-N 0 0 456.370 4.962 20 0 JJADRN C[C@@H](CNC(=O)CSc1ccc2c(c1)OCCO2)Sc1ccc(Br)cc1 ZINC001443528028 1066322673 /nfs/dbraw/zinc/32/26/73/1066322673.db2.gz DGGXFEVSKDRVSV-ZDUSSCGKSA-N 0 0 454.411 4.609 20 0 JJADRN COc1ccc(CN(C(=O)c2sc3cc(C)c(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001443523300 1066322711 /nfs/dbraw/zinc/32/27/11/1066322711.db2.gz YYCHCZHTNGXYKB-IBGZPJMESA-N 0 0 457.617 4.665 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1F ZINC001361084372 1066322850 /nfs/dbraw/zinc/32/28/50/1066322850.db2.gz ORZHQWJFIPBLOM-RARDXLECSA-N 0 0 484.538 4.849 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CCOCC2)ccc1F ZINC001361084545 1066323221 /nfs/dbraw/zinc/32/32/21/1066323221.db2.gz RLHYEIKDCRYVOH-QFIPXVFZSA-N 0 0 487.620 4.709 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@@H](C)C2)cs1 ZINC001361084569 1066323295 /nfs/dbraw/zinc/32/32/95/1066323295.db2.gz VMZDFCYXINYZLI-CPLUKWAASA-N 0 0 459.660 4.949 20 0 JJADRN Cc1cc(Cn2c(N(CCC(F)(F)F)CC3CC3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001361084476 1066323365 /nfs/dbraw/zinc/32/33/65/1066323365.db2.gz SWBKWDJLTMNEGC-NRFANRHFSA-N 0 0 472.577 4.906 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc12 ZINC001443530570 1066323404 /nfs/dbraw/zinc/32/34/04/1066323404.db2.gz IIFOLNQFJVGONA-CQSZACIVSA-N 0 0 458.559 4.616 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001443530429 1066323423 /nfs/dbraw/zinc/32/34/23/1066323423.db2.gz HUOBJOZBXQWLOJ-OAHLLOKOSA-N 0 0 456.587 4.770 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001454709165 1066323685 /nfs/dbraw/zinc/32/36/85/1066323685.db2.gz DWZKGTIJLKETOR-UYAOXDASSA-N 0 0 454.567 4.646 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c21 ZINC001443531690 1066323604 /nfs/dbraw/zinc/32/36/04/1066323604.db2.gz NILFMZBLYQUPPN-OAHLLOKOSA-N 0 0 454.527 4.688 20 0 JJADRN C[C@H](CNC(=O)c1cnnn1-c1ccccc1Cl)Sc1ccc(Br)cc1 ZINC001443531707 1066323703 /nfs/dbraw/zinc/32/37/03/1066323703.db2.gz NZLMBROMEQTXMW-GFCCVEGCSA-N 0 0 451.777 4.594 20 0 JJADRN C[C@H](CNC(=O)CC1CCN(CC(F)(F)F)CC1)Sc1ccc(Br)cc1 ZINC001443530852 1066324045 /nfs/dbraw/zinc/32/40/45/1066324045.db2.gz JYJKJOXWFNEFPL-CYBMUJFWSA-N 0 0 453.368 4.710 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)cc1 ZINC001361085628 1066324134 /nfs/dbraw/zinc/32/41/34/1066324134.db2.gz DNVJTZRHNNPLPV-UHFFFAOYSA-N 0 0 451.336 4.772 20 0 JJADRN COc1ccc(COCCC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001454711524 1066324119 /nfs/dbraw/zinc/32/41/19/1066324119.db2.gz KUXVTYHEWFRDKD-HXUWFJFHSA-N 0 0 454.567 4.647 20 0 JJADRN C[C@H](CNC(=O)C1CCC(OC[C@H]2CCCO2)CC1)Sc1ccc(Br)cc1 ZINC001443531724 1066324328 /nfs/dbraw/zinc/32/43/28/1066324328.db2.gz OEVGVQLVLFEGKN-JVGQSUMCSA-N 0 0 456.446 4.800 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001454712746 1066324585 /nfs/dbraw/zinc/32/45/85/1066324585.db2.gz CCSUMMVAGXPAKT-XPNTWCBSSA-N 0 0 458.986 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001454714133 1066324610 /nfs/dbraw/zinc/32/46/10/1066324610.db2.gz NZOPSAWWVUCMLX-QYZOEREBSA-N 0 0 452.954 4.605 20 0 JJADRN O=C(NCC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCCC1)OCc1ccccc1 ZINC001454713194 1066324729 /nfs/dbraw/zinc/32/47/29/1066324729.db2.gz GOVWBWAHMICDBO-YADHBBJMSA-N 0 0 456.970 4.773 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454714111 1066324807 /nfs/dbraw/zinc/32/48/07/1066324807.db2.gz NYIKCOWTRRLWPB-HKBOAZHASA-N 0 0 478.948 4.700 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454714119 1066324965 /nfs/dbraw/zinc/32/49/65/1066324965.db2.gz NYIKCOWTRRLWPB-NJYVYQBISA-N 0 0 478.948 4.700 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)C[C@H]3CCCC3(F)F)cc2)s1 ZINC001361086886 1066325028 /nfs/dbraw/zinc/32/50/28/1066325028.db2.gz UBCAMQRJZHLFPV-GFCCVEGCSA-N 0 0 457.340 4.969 20 0 JJADRN C[C@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)Sc1ccc(Br)cc1 ZINC001443533135 1066325018 /nfs/dbraw/zinc/32/50/18/1066325018.db2.gz WKEOLIDOKQZOQU-CXAGYDPISA-N 0 0 457.434 4.739 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)s1 ZINC001361087060 1066325120 /nfs/dbraw/zinc/32/51/20/1066325120.db2.gz XNVFLIAFKKZXMP-MSOLQXFVSA-N 0 0 455.377 4.948 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)c(F)c1 ZINC001454718801 1066325859 /nfs/dbraw/zinc/32/58/59/1066325859.db2.gz IVQYUVXZIJACRV-UHFFFAOYSA-N 0 0 459.271 4.807 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H](CCO)c3ccc(Cl)c(F)c3)c12 ZINC001454720510 1066326280 /nfs/dbraw/zinc/32/62/80/1066326280.db2.gz GYQCJHXLUBMQGG-KRWDZBQOSA-N 0 0 458.946 4.651 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2C)C1 ZINC001546064804 1066326409 /nfs/dbraw/zinc/32/64/09/1066326409.db2.gz WPIMQNHTJKXGAV-RMUDUWAUSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)[C@@H](NC(=O)COc3ccccc3)C(C)C)n2)cc1C ZINC001443536570 1066326766 /nfs/dbraw/zinc/32/67/66/1066326766.db2.gz HMNHLUBEOLZECT-QHCPKHFHSA-N 0 0 451.592 4.894 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001361087499 1066326697 /nfs/dbraw/zinc/32/66/97/1066326697.db2.gz MKPVJSOCUFUMEX-ISJBWFOZSA-N 0 0 491.076 4.665 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(C)n1Cc1ccccn1 ZINC001454725709 1066326788 /nfs/dbraw/zinc/32/67/88/1066326788.db2.gz IWEKXRNWIVIACS-OAQYLSRUSA-N 0 0 454.615 4.704 20 0 JJADRN COc1cc(/C=C(\C(=O)N2CCN(c3ccc(F)cc3F)CC2)c2ccccc2)ccc1O ZINC001454727944 1066326998 /nfs/dbraw/zinc/32/69/98/1066326998.db2.gz SUIWKKGKBUATOR-QNGOZBTKSA-N 0 0 450.485 4.568 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(C)n1Cc1ccccn1 ZINC001454725685 1066327034 /nfs/dbraw/zinc/32/70/34/1066327034.db2.gz IWEKXRNWIVIACS-NRFANRHFSA-N 0 0 454.615 4.704 20 0 JJADRN Cc1ccn(C[C@@](C)(O)C(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)c(=O)c1 ZINC001443542603 1066327061 /nfs/dbraw/zinc/32/70/61/1066327061.db2.gz UQUUCKBCIBLBJL-RUZDIDTESA-N 0 0 453.608 4.917 20 0 JJADRN Cc1ccn(C[C@](C)(O)C(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)c(=O)c1 ZINC001443542605 1066327368 /nfs/dbraw/zinc/32/73/68/1066327368.db2.gz UQUUCKBCIBLBJL-VWLOTQADSA-N 0 0 453.608 4.917 20 0 JJADRN COc1ccccc1-c1nc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cs1 ZINC001454730323 1066327456 /nfs/dbraw/zinc/32/74/56/1066327456.db2.gz KCNFVXXMCKWHNG-INIZCTEOSA-N 0 0 459.612 4.974 20 0 JJADRN O=C(N[C@H](C(=O)NCc1cc(F)c(Br)cc1F)c1ccccc1)c1ccccc1 ZINC001454731266 1066327985 /nfs/dbraw/zinc/32/79/85/1066327985.db2.gz BNEZRTMADVKBKZ-FQEVSTJZSA-N 0 0 459.290 4.515 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001361087878 1066328456 /nfs/dbraw/zinc/32/84/56/1066328456.db2.gz PXHQRDMZQMRVNJ-OUFMZXHOSA-N 0 0 491.076 4.806 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC001454734261 1066328744 /nfs/dbraw/zinc/32/87/44/1066328744.db2.gz DWZZGUNTMKHCPS-CYBMUJFWSA-N 0 0 454.684 4.760 20 0 JJADRN COc1cc(/C=C(\C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccccc2)ccc1O ZINC001454737311 1066329227 /nfs/dbraw/zinc/32/92/27/1066329227.db2.gz JFSQLGDYDKOIAT-ZAWDDGEUSA-N 0 0 451.469 4.866 20 0 JJADRN Cc1cccc(CC(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c1Br ZINC001454737940 1066329526 /nfs/dbraw/zinc/32/95/26/1066329526.db2.gz WZEABDROKNQPQR-QGZVFWFLSA-N 0 0 453.421 4.842 20 0 JJADRN O=C(Nc1ccc(OC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1)c1ccsc1 ZINC001443567295 1066329626 /nfs/dbraw/zinc/32/96/26/1066329626.db2.gz PKHIGCKRBDLENE-JCMHNJIXSA-N 0 0 458.495 4.970 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@H]1COCCO1 ZINC001361088108 1066329522 /nfs/dbraw/zinc/32/95/22/1066329522.db2.gz FYYOLDIAJLIIPN-IFMALSPDSA-N 0 0 477.049 4.539 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454742972 1066330027 /nfs/dbraw/zinc/33/00/27/1066330027.db2.gz YMDYHEHCSRLUKS-GNSUPJDDSA-N 0 0 452.542 4.584 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC001454744990 1066330047 /nfs/dbraw/zinc/33/00/47/1066330047.db2.gz VQQZIPDBWAYSTI-SFHVURJKSA-N 0 0 452.473 4.841 20 0 JJADRN CC(C)(C)OC(=O)NCCCNC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001443570173 1066329926 /nfs/dbraw/zinc/32/99/26/1066329926.db2.gz VCYPRRTUHCLDNB-UHFFFAOYSA-N 0 0 454.958 4.837 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC[C@@H](C)C2)n1CCCn1ccnn1 ZINC001361088300 1066330669 /nfs/dbraw/zinc/33/06/69/1066330669.db2.gz HTKUBSUPHUISHZ-LJQANCHMSA-N 0 0 472.037 4.560 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088294 1066330798 /nfs/dbraw/zinc/33/07/98/1066330798.db2.gz HOUVJHCLJRVJPV-UYAOXDASSA-N 0 0 483.060 4.996 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCOC2)n1CC1CC(F)(F)C1 ZINC001361088530 1066331208 /nfs/dbraw/zinc/33/12/08/1066331208.db2.gz XBIIYWHSOHSIOA-GOSISDBHSA-N 0 0 454.949 4.522 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OCC(C)C)cc3)CC2)no1 ZINC001361088465 1066331241 /nfs/dbraw/zinc/33/12/41/1066331241.db2.gz WFFXPWQVWWEQCL-UHFFFAOYSA-N 0 0 480.657 4.568 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](C(C)(C)C)Cc3ccccc31)C2=O ZINC001454750186 1066331361 /nfs/dbraw/zinc/33/13/61/1066331361.db2.gz AICUKEZPQWJLGL-UZAYYHTJSA-N 0 0 453.627 4.765 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1CC1([S@@](C)=O)CCC1 ZINC001361088626 1066332123 /nfs/dbraw/zinc/33/21/23/1066332123.db2.gz KGWVGVMJKKDZIZ-ZUQCGGBESA-N 0 0 479.090 4.789 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCCOC1 ZINC001361088619 1066332149 /nfs/dbraw/zinc/33/21/49/1066332149.db2.gz KELZPYVSIGUQOZ-SFHVURJKSA-N 0 0 468.976 4.914 20 0 JJADRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001443582995 1066332600 /nfs/dbraw/zinc/33/26/00/1066332600.db2.gz GZPSIMJAGAKILT-IBGZPJMESA-N 0 0 456.587 4.733 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001361088789 1066332596 /nfs/dbraw/zinc/33/25/96/1066332596.db2.gz LNRABZBEDIMROE-HSZRJFAPSA-N 0 0 494.970 4.988 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCO1 ZINC001361088696 1066332695 /nfs/dbraw/zinc/33/26/95/1066332695.db2.gz YSTJDWYKUMPSBW-IBGZPJMESA-N 0 0 476.046 4.832 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)co1 ZINC001454773995 1066332822 /nfs/dbraw/zinc/33/28/22/1066332822.db2.gz ZYIRDYMBMHUREP-UHFFFAOYSA-N 0 0 457.527 4.612 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3cnc(-c4ccccc4F)s3)CC2)n1 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ZINC001443650906 1066345116 /nfs/dbraw/zinc/34/51/16/1066345116.db2.gz RNELPOPABHXEOR-JLCFBVMHSA-N 0 0 459.414 4.850 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001443650827 1066345135 /nfs/dbraw/zinc/34/51/35/1066345135.db2.gz MLOHCPQGYVDGLZ-XMMPIXPASA-N 0 0 452.595 4.742 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(Cl)cc(Br)c1N ZINC001443651220 1066345174 /nfs/dbraw/zinc/34/51/74/1066345174.db2.gz JGBFTFQGQRVTDL-UHFFFAOYSA-N 0 0 450.135 4.766 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001361094628 1066345229 /nfs/dbraw/zinc/34/52/29/1066345229.db2.gz FOZFCKUNLWZPKI-UHFFFAOYSA-N 0 0 464.511 4.792 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962670 1066345562 /nfs/dbraw/zinc/34/55/62/1066345562.db2.gz AUBVGTLEEAGOQL-JSXRDJHFSA-N 0 0 456.608 4.688 20 0 JJADRN Cc1nc2cc(C(=O)N[C@](C)(CO)Cc3ccc(Cl)cc3)ccc2n1Cc1ccsc1 ZINC001454960601 1066345583 /nfs/dbraw/zinc/34/55/83/1066345583.db2.gz FISMPXAAXQMGFL-DEOSSOPVSA-N 0 0 453.995 4.831 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCCCC1 ZINC001361095531 1066345889 /nfs/dbraw/zinc/34/58/89/1066345889.db2.gz LYBNENPJDOCUHE-UHFFFAOYSA-N 0 0 469.630 4.976 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001361095318 1066345928 /nfs/dbraw/zinc/34/59/28/1066345928.db2.gz IHUOCGABAQEGAG-KRWDZBQOSA-N 0 0 498.653 4.656 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001361095479 1066345940 /nfs/dbraw/zinc/34/59/40/1066345940.db2.gz JXQJCPHLSSHNSE-IBGZPJMESA-N 0 0 483.592 4.560 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4F)CC3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963291 1066346063 /nfs/dbraw/zinc/34/60/63/1066346063.db2.gz IKSNJSZBEAKBIX-JTHBVZDNSA-N 0 0 468.569 4.676 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001443664158 1066346085 /nfs/dbraw/zinc/34/60/85/1066346085.db2.gz MMNGLCCVAOCXQO-FNZWTVRRSA-N 0 0 454.567 4.866 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963767 1066346166 /nfs/dbraw/zinc/34/61/66/1066346166.db2.gz LHKGZPKRIPYZIQ-NXWNEQKCSA-N 0 0 472.532 4.596 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)CCc3c[nH]c4c3cccc4C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963196 1066346186 /nfs/dbraw/zinc/34/61/86/1066346186.db2.gz FVXNCXIETMYTSZ-BJKOFHAPSA-N 0 0 477.605 4.937 20 0 JJADRN CCSc1ccccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001454965629 1066346687 /nfs/dbraw/zinc/34/66/87/1066346687.db2.gz TWJVHXDWUBVBEM-LEWJYISDSA-N 0 0 456.608 4.940 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965559 1066346706 /nfs/dbraw/zinc/34/67/06/1066346706.db2.gz SBCOCKAIFXZCEY-SIKLNZKXSA-N 0 0 469.969 4.963 20 0 JJADRN C[C@H](CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)Oc1cccc(Br)c1 ZINC001361096330 1066346879 /nfs/dbraw/zinc/34/68/79/1066346879.db2.gz GHFYXIWRZFMOSV-MYSGNRETSA-N 0 0 450.329 4.594 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001443672382 1066347070 /nfs/dbraw/zinc/34/70/70/1066347070.db2.gz HCLBMXKMIWPDML-CTNGQTDRSA-N 0 0 453.505 4.591 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1)c1ccccc1 ZINC001443670648 1066347154 /nfs/dbraw/zinc/34/71/54/1066347154.db2.gz CZQVZFSVPPQATP-QHCPKHFHSA-N 0 0 459.590 4.586 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3ccc4nc(C)sc4c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966545 1066347293 /nfs/dbraw/zinc/34/72/93/1066347293.db2.gz WNIFOQPJQCIINC-PZJWPPBQSA-N 0 0 467.591 4.746 20 0 JJADRN Cc1nc(C(C)C)ccc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001361096479 1066347127 /nfs/dbraw/zinc/34/71/27/1066347127.db2.gz JPMLAKJBGQJMSA-QHCPKHFHSA-N 0 0 458.530 4.715 20 0 JJADRN Cc1ccc(C[C@H](C)C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)cc1 ZINC001361096538 1066347351 /nfs/dbraw/zinc/34/73/51/1066347351.db2.gz KPOVZRAYDUNGNA-XDHUDOTRSA-N 0 0 457.542 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C[C@H](C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 ZINC001443677328 1066348074 /nfs/dbraw/zinc/34/80/74/1066348074.db2.gz HADBUXMABQAOGX-AWEZNQCLSA-N 0 0 450.764 4.582 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001454970887 1066348370 /nfs/dbraw/zinc/34/83/70/1066348370.db2.gz AZECYKCGCRSVLN-UHFFFAOYSA-N 0 0 452.816 4.710 20 0 JJADRN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443677283 1066348267 /nfs/dbraw/zinc/34/82/67/1066348267.db2.gz GWITWFWSRUTCNJ-UHFFFAOYSA-N 0 0 455.986 4.970 20 0 JJADRN C[C@]1(C(F)(F)F)CN(C(=O)c2ccc(COc3ccccc3Br)cc2)CCO1 ZINC001454974256 1066348744 /nfs/dbraw/zinc/34/87/44/1066348744.db2.gz MEFWYBHNSSHWMH-LJQANCHMSA-N 0 0 458.274 4.822 20 0 JJADRN C[C@]1(C(F)(F)F)CN(C(=O)c2ccccc2OCc2cccc(Br)c2)CCO1 ZINC001454975734 1066348914 /nfs/dbraw/zinc/34/89/14/1066348914.db2.gz OUTNWYNTWJQIOG-LJQANCHMSA-N 0 0 458.274 4.822 20 0 JJADRN C[C@@]1(C(F)(F)F)CN(C(=O)c2ccccc2OCc2cccc(Br)c2)CCO1 ZINC001454975731 1066348959 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TWLXDTDINRDOCD-UHFFFAOYSA-N 0 0 458.558 4.697 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 ZINC001443684735 1066349865 /nfs/dbraw/zinc/34/98/65/1066349865.db2.gz BQDBQPAEOVLEKL-NRFANRHFSA-N 0 0 450.560 4.742 20 0 JJADRN CCc1[nH]nc(C(=O)Nc2ccc(Br)c(Br)c2)c1Br ZINC001455000671 1066350024 /nfs/dbraw/zinc/35/00/24/1066350024.db2.gz RKFUPNWBNFYATQ-UHFFFAOYSA-N 0 0 451.944 4.512 20 0 JJADRN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001454987201 1066350083 /nfs/dbraw/zinc/35/00/83/1066350083.db2.gz KBUFZNKHLBACAT-INIZCTEOSA-N 0 0 458.337 4.635 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)c3ccc(-c4ccccc4OC)cc3)CC2=O)cc1 ZINC001361100296 1066350367 /nfs/dbraw/zinc/35/03/67/1066350367.db2.gz DOKZGKUOGBRINK-WMZHIEFXSA-N 0 0 458.558 4.597 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)c2cccc(C)c2)on1 ZINC001361101064 1066350384 /nfs/dbraw/zinc/35/03/84/1066350384.db2.gz ALDQFPWGXCYUAD-IBGZPJMESA-N 0 0 466.586 4.814 20 0 JJADRN 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Cc1ccc(NC(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)cc1C(=O)c1ccccc1 ZINC001455001919 1066351332 /nfs/dbraw/zinc/35/13/32/1066351332.db2.gz FLXIZGBHRXXODW-RXFWQSSRSA-N 0 0 452.551 4.627 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC001361102020 1066351509 /nfs/dbraw/zinc/35/15/09/1066351509.db2.gz WDFAMDNFFFUNID-LNLFQRSKSA-N 0 0 470.561 4.625 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361102038 1066351517 /nfs/dbraw/zinc/35/15/17/1066351517.db2.gz WHTURHKZNSDYDA-NFQMXDRXSA-N 0 0 495.624 4.970 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(C)n(C4CCCCC4)n3)cn2)cc1 ZINC001443695438 1066351546 /nfs/dbraw/zinc/35/15/46/1066351546.db2.gz ANUCVHZFRGYFFL-UHFFFAOYSA-N 0 0 452.584 4.506 20 0 JJADRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455004386 1066351845 /nfs/dbraw/zinc/35/18/45/1066351845.db2.gz TVKZYBSYPQBPJZ-NRFANRHFSA-N 0 0 458.484 4.749 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)c2cccc(C)c2)c1 ZINC001361102696 1066352089 /nfs/dbraw/zinc/35/20/89/1066352089.db2.gz BSKUOIVBMUSLPA-NRFANRHFSA-N 0 0 465.602 4.632 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CCCO2)c1 ZINC001361102740 1066352144 /nfs/dbraw/zinc/35/21/44/1066352144.db2.gz DMVYDHNOMKSJOU-HHJKRLRDSA-N 0 0 455.603 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001443698159 1066352120 /nfs/dbraw/zinc/35/21/20/1066352120.db2.gz LQJPHRPYDPFBJT-XUZZJYLKSA-N 0 0 451.007 4.840 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1 ZINC001443698922 1066352532 /nfs/dbraw/zinc/35/25/32/1066352532.db2.gz JJBPJDDNEXZSQR-LJQANCHMSA-N 0 0 451.792 4.646 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)CC1 ZINC001443699048 1066352618 /nfs/dbraw/zinc/35/26/18/1066352618.db2.gz KGBSBAXXWVHXJN-YADHBBJMSA-N 0 0 455.396 4.805 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001443698553 1066352899 /nfs/dbraw/zinc/35/28/99/1066352899.db2.gz NLEYABGTYYSHML-DEOSSOPVSA-N 0 0 458.046 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2cc(Br)sc2[nH]1 ZINC001455009143 1066352896 /nfs/dbraw/zinc/35/28/96/1066352896.db2.gz VVAZHHPQORRZFX-UONOGXRCSA-N 0 0 454.390 4.606 20 0 JJADRN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443703209 1066353701 /nfs/dbraw/zinc/35/37/01/1066353701.db2.gz GWKVYMVURNVXBN-FQEVSTJZSA-N 0 0 450.579 4.911 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C12CCCC2 ZINC001361104314 1066353806 /nfs/dbraw/zinc/35/38/06/1066353806.db2.gz MQFSFZGMQGWYGO-PKTZIBPZSA-N 0 0 458.668 4.943 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C12CCCC2 ZINC001361104312 1066353884 /nfs/dbraw/zinc/35/38/84/1066353884.db2.gz MQFSFZGMQGWYGO-DHIUTWEWSA-N 0 0 458.668 4.943 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C12CCCC2 ZINC001361104826 1066354206 /nfs/dbraw/zinc/35/42/06/1066354206.db2.gz TYEQHQYPPSTTJH-CABCVRRESA-N 0 0 459.324 4.676 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)C)CC2)nc(C(C)C)n1 ZINC001361105290 1066354431 /nfs/dbraw/zinc/35/44/31/1066354431.db2.gz CYBSGBNOVACRIH-UHFFFAOYSA-N 0 0 472.012 4.942 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccnc3)C(C)C)CC2)nc(C(C)C)n1 ZINC001361105453 1066354471 /nfs/dbraw/zinc/35/44/71/1066354471.db2.gz KOZGHKYXWMXBQM-XMMPIXPASA-N 0 0 490.700 4.860 20 0 JJADRN COCc1cc(NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)ccc1OC ZINC001455020126 1066354350 /nfs/dbraw/zinc/35/43/50/1066354350.db2.gz NFSZKWHURCNOLT-FQEVSTJZSA-N 0 0 454.523 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC001443704066 1066354521 /nfs/dbraw/zinc/35/45/21/1066354521.db2.gz JWXWKNWWEKTSGV-KRWDZBQOSA-N 0 0 456.970 4.948 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361106016 1066354721 /nfs/dbraw/zinc/35/47/21/1066354721.db2.gz AHHHFVVTCDMFLE-MOPGFXCFSA-N 0 0 477.531 4.695 20 0 JJADRN C[C@H](C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001443706223 1066354899 /nfs/dbraw/zinc/35/48/99/1066354899.db2.gz SPUKFMUFXZCSPA-VQTJNVASSA-N 0 0 450.579 4.784 20 0 JJADRN CCCc1c(C(=O)NCC(=O)c2ccc(F)c3ccccc23)nnn1-c1cccc(Cl)c1 ZINC001455041879 1066355113 /nfs/dbraw/zinc/35/51/13/1066355113.db2.gz KYWFYQUKAYRVAJ-UHFFFAOYSA-N 0 0 450.901 4.778 20 0 JJADRN C[C@@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1Cl ZINC001443706780 1066355414 /nfs/dbraw/zinc/35/54/14/1066355414.db2.gz BQUOBCCPICGRTH-GOGLXCQPSA-N 0 0 456.675 4.635 20 0 JJADRN COc1n[nH]c(NC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Br ZINC001455053807 1066355892 /nfs/dbraw/zinc/35/58/92/1066355892.db2.gz XASXRHDOHQRFQC-NSCUHMNNSA-N 0 0 458.156 4.870 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(F)(F)F)c1 ZINC001361106746 1066355982 /nfs/dbraw/zinc/35/59/82/1066355982.db2.gz HMVSRCTWGQEGSQ-CQSZACIVSA-N 0 0 486.336 4.821 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361106824 1066355997 /nfs/dbraw/zinc/35/59/97/1066355997.db2.gz IFUHUNZKLZCACQ-CTNGQTDRSA-N 0 0 469.630 4.815 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361106963 1066356056 /nfs/dbraw/zinc/35/60/56/1066356056.db2.gz JKTZOPJORBBWQB-HMXCVIKNSA-N 0 0 482.547 4.843 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(Br)c2)C1 ZINC001546068110 1066356160 /nfs/dbraw/zinc/35/61/60/1066356160.db2.gz IFGCRTNHKXFSRA-HSZRJFAPSA-N 0 0 472.431 4.924 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)CCc3ccc4ccccc4c3O)CC2)nc1C ZINC001455057597 1066356294 /nfs/dbraw/zinc/35/62/94/1066356294.db2.gz WUVMOKBQTJARQJ-UHFFFAOYSA-N 0 0 452.576 4.826 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(F)cc2C1)OC ZINC001545961425 1066356410 /nfs/dbraw/zinc/35/64/10/1066356410.db2.gz VLNYWTNYIMUNLL-INIZCTEOSA-N 0 0 465.392 4.896 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC001361107083 1066356604 /nfs/dbraw/zinc/35/66/04/1066356604.db2.gz OGSVEYORVBQWFB-AWEZNQCLSA-N 0 0 450.482 4.959 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361107543 1066356659 /nfs/dbraw/zinc/35/66/59/1066356659.db2.gz OHEHJWSJIMPHFQ-LJQANCHMSA-N 0 0 477.531 4.697 20 0 JJADRN CN(C(=O)CNC(=O)c1ccccc1Cl)[C@@H]1CCSc2ccc(Br)cc21 ZINC001443722914 1066356783 /nfs/dbraw/zinc/35/67/83/1066356783.db2.gz GUHVLXXYNFQCDC-MRXNPFEDSA-N 0 0 453.789 4.528 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545961457 1066356800 /nfs/dbraw/zinc/35/68/00/1066356800.db2.gz VWXUWZVAURLWLE-IBGZPJMESA-N 0 0 489.686 4.758 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)c1 ZINC001361107829 1066357074 /nfs/dbraw/zinc/35/70/74/1066357074.db2.gz QPESSQJRDOYBEM-NVXWUHKLSA-N 0 0 476.444 4.753 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC(c3ccc(Cl)cn3)CC2)s1 ZINC001455069749 1066357169 /nfs/dbraw/zinc/35/71/69/1066357169.db2.gz UKBKDEYFJNEPMT-UHFFFAOYSA-N 0 0 450.992 4.877 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)cc1I ZINC001455070330 1066357229 /nfs/dbraw/zinc/35/72/29/1066357229.db2.gz VMAIKCVBVXTZCD-UHFFFAOYSA-N 0 0 454.739 4.976 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)[C@H](C)C2)c1 ZINC001361108391 1066357423 /nfs/dbraw/zinc/35/74/23/1066357423.db2.gz XJTRRBLWIGEFPV-FGTMMUONSA-N 0 0 472.431 4.914 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361108352 1066357440 /nfs/dbraw/zinc/35/74/40/1066357440.db2.gz WPJQGDPDXHKSGS-SFTDATJTSA-N 0 0 492.624 4.528 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)nc21 ZINC001455081388 1066358400 /nfs/dbraw/zinc/35/84/00/1066358400.db2.gz JXQSSUNCOWPNTA-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCSC[C@H]2C)c1 ZINC001361109824 1066358461 /nfs/dbraw/zinc/35/84/61/1066358461.db2.gz GTDZWKMOQDJMKI-UGESXGAOSA-N 0 0 458.672 4.914 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001443728152 1066358399 /nfs/dbraw/zinc/35/83/99/1066358399.db2.gz ICHCEGNRVQNMAU-JOCHJYFZSA-N 0 0 452.595 4.832 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](Cc2ccccc2)C1)OC ZINC001545961476 1066358743 /nfs/dbraw/zinc/35/87/43/1066358743.db2.gz WESQYGAXVBCPDF-ZWKOTPCHSA-N 0 0 491.455 4.642 20 0 JJADRN COCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001443728393 1066358862 /nfs/dbraw/zinc/35/88/62/1066358862.db2.gz RBGCPHLNYMDQHH-UHFFFAOYSA-N 0 0 459.486 4.744 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001361109830 1066359030 /nfs/dbraw/zinc/35/90/30/1066359030.db2.gz GWZGDVHJSBEJIF-OAQYLSRUSA-N 0 0 485.673 4.994 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)cc1Cl ZINC001443730686 1066359199 /nfs/dbraw/zinc/35/91/99/1066359199.db2.gz RIZBKLDZVKBUTG-CYBMUJFWSA-N 0 0 450.033 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2C(C)C)c1 ZINC001361110375 1066359282 /nfs/dbraw/zinc/35/92/82/1066359282.db2.gz NMQRZRILSSMSBC-FPOVZHCZSA-N 0 0 467.639 4.670 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)[nH]n2)cc1 ZINC001443729539 1066359469 /nfs/dbraw/zinc/35/94/69/1066359469.db2.gz PPINKPJOZJVVSB-FQEVSTJZSA-N 0 0 450.297 4.745 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)=C2 ZINC001455095308 1066359532 /nfs/dbraw/zinc/35/95/32/1066359532.db2.gz FAZVMDZBBPVLMJ-AREMUKBSSA-N 0 0 458.599 4.651 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2C(C)C)c1 ZINC001361110376 1066359526 /nfs/dbraw/zinc/35/95/26/1066359526.db2.gz NMQRZRILSSMSBC-PZJWPPBQSA-N 0 0 467.639 4.670 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C(C)(C)C2)c1 ZINC001361110573 1066359692 /nfs/dbraw/zinc/35/96/92/1066359692.db2.gz QDIRBTKFKGKSAS-UXHICEINSA-N 0 0 481.666 4.918 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC2CC2)CC1)OC ZINC001545961488 1066359992 /nfs/dbraw/zinc/35/99/92/1066359992.db2.gz WIKNSBJXTIHJGY-QGZVFWFLSA-N 0 0 493.446 4.537 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(C)c3)CC2)c1 ZINC001361110402 1066359764 /nfs/dbraw/zinc/35/97/64/1066359764.db2.gz OGLMMUXYYSVGIV-JOCHJYFZSA-N 0 0 450.631 4.674 20 0 JJADRN Cc1ccc(NC(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)cc1OCCCCCO ZINC001455097630 1066360081 /nfs/dbraw/zinc/36/00/81/1066360081.db2.gz ZOHMQGQLAHWTTA-UHFFFAOYSA-N 0 0 451.542 4.911 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110795 1066360191 /nfs/dbraw/zinc/36/01/91/1066360191.db2.gz SUGHVOLHKGRAGR-GAJHUEQPSA-N 0 0 466.548 4.536 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001443732199 1066360281 /nfs/dbraw/zinc/36/02/81/1066360281.db2.gz MECFWXHHFSAJDY-RTBURBONSA-N 0 0 455.382 4.788 20 0 JJADRN CC(C)(C)c1nnc2ccc(C(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)cn21 ZINC001443731836 1066360297 /nfs/dbraw/zinc/36/02/97/1066360297.db2.gz TWGMNFPFTHTQEQ-KRWDZBQOSA-N 0 0 451.329 4.686 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001546068641 1066360586 /nfs/dbraw/zinc/36/05/86/1066360586.db2.gz SWUNIXDXYBCXBY-NQIIRXRSSA-N 0 0 450.484 4.926 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC001443733456 1066360689 /nfs/dbraw/zinc/36/06/89/1066360689.db2.gz WLYXRVLUYFZRLX-LRTDBIEQSA-N 0 0 456.341 4.928 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC001443733452 1066360704 /nfs/dbraw/zinc/36/07/04/1066360704.db2.gz WLYXRVLUYFZRLX-ASSNKEHSSA-N 0 0 456.341 4.928 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001361111203 1066361540 /nfs/dbraw/zinc/36/15/40/1066361540.db2.gz XLJQHYQTLPJKIS-UHFFFAOYSA-N 0 0 491.558 4.978 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCC2(C)C)c1 ZINC001361111771 1066361924 /nfs/dbraw/zinc/36/19/24/1066361924.db2.gz BCPIJCGJSGIVBV-AMGIVPHBSA-N 0 0 470.658 4.969 20 0 JJADRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455108779 1066362018 /nfs/dbraw/zinc/36/20/18/1066362018.db2.gz MDUADPRJWCWEML-INIZCTEOSA-N 0 0 456.514 4.803 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001455105975 1066362079 /nfs/dbraw/zinc/36/20/79/1066362079.db2.gz DOQRFUAJHMVCEY-OAHLLOKOSA-N 0 0 454.368 4.666 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361111949 1066362340 /nfs/dbraw/zinc/36/23/40/1066362340.db2.gz GWEOXUAELDUNHH-BDTNDASRSA-N 0 0 483.657 4.872 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H]2COc3cccc(Br)c3C2)c(Br)c1 ZINC001455108931 1066362439 /nfs/dbraw/zinc/36/24/39/1066362439.db2.gz DSTNNEZFVHUXLG-CQSZACIVSA-N 0 0 453.174 4.573 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001443757605 1066362561 /nfs/dbraw/zinc/36/25/61/1066362561.db2.gz HVPDHFVJGLUXFF-JXMROGBWSA-N 0 0 456.586 4.545 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)cc1 ZINC001443752647 1066362728 /nfs/dbraw/zinc/36/27/28/1066362728.db2.gz CIPVYXKWGMXLRI-RTBURBONSA-N 0 0 454.558 4.521 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760956 1066363103 /nfs/dbraw/zinc/36/31/03/1066363103.db2.gz WZIZMKKGUSSDJF-FQRUVTKNSA-N 0 0 458.606 4.703 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1cc2cnccc2o1 ZINC001455114305 1066363107 /nfs/dbraw/zinc/36/31/07/1066363107.db2.gz ZPHRIHBVLDXTJB-CQSZACIVSA-N 0 0 455.923 4.773 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)N[C@@H]1COc2cccc(Br)c2C1 ZINC001455112166 1066363219 /nfs/dbraw/zinc/36/32/19/1066363219.db2.gz KRMSHSLKCNGGOW-JTQLQIEISA-N 0 0 459.565 4.527 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3cccc(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361112424 1066363550 /nfs/dbraw/zinc/36/35/50/1066363550.db2.gz WGABFFYXGVPGJN-IBGZPJMESA-N 0 0 483.613 4.831 20 0 JJADRN COc1ccc(-c2nn(CC(=O)Nc3cccc(OCc4ccccc4C)c3)cc2C=O)cc1 ZINC001443763449 1066363789 /nfs/dbraw/zinc/36/37/89/1066363789.db2.gz UVOGZDUAXXLVIO-UHFFFAOYSA-N 0 0 455.514 4.897 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCO2)c1 ZINC001361113097 1066363877 /nfs/dbraw/zinc/36/38/77/1066363877.db2.gz FBOKYOCZYFCEES-YTFSRNRJSA-N 0 0 456.631 4.589 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001546069139 1066363970 /nfs/dbraw/zinc/36/39/70/1066363970.db2.gz FGRYKSSUQBTORY-UHFFFAOYSA-N 0 0 459.424 4.654 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(=O)CC1CCCCC1 ZINC001455127919 1066364126 /nfs/dbraw/zinc/36/41/26/1066364126.db2.gz UPANCZMHKXJASF-IBGZPJMESA-N 0 0 459.439 4.501 20 0 JJADRN C[C@H](CCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001443765438 1066364410 /nfs/dbraw/zinc/36/44/10/1066364410.db2.gz IHNKQPSBLMDWGH-CEXWTWQISA-N 0 0 455.640 4.612 20 0 JJADRN CN(Cc1ncccn1)C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001455130059 1066364227 /nfs/dbraw/zinc/36/42/27/1066364227.db2.gz LUGIPOPLXRYHJU-UHFFFAOYSA-N 0 0 458.562 4.533 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(=O)CC1CCCCC1 ZINC001455127934 1066364247 /nfs/dbraw/zinc/36/42/47/1066364247.db2.gz UPANCZMHKXJASF-LJQANCHMSA-N 0 0 459.439 4.501 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NCC(=O)CC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001455126256 1066364277 /nfs/dbraw/zinc/36/42/77/1066364277.db2.gz ORYQZHNDWWDQOF-PGRDOPGGSA-N 0 0 450.982 4.823 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361113183 1066364429 /nfs/dbraw/zinc/36/44/29/1066364429.db2.gz PVSVAOATOZPSTM-LKBMAGLMSA-N 0 0 458.518 4.973 20 0 JJADRN CCS[C@@H]1CCCCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC001443766820 1066364929 /nfs/dbraw/zinc/36/49/29/1066364929.db2.gz JFRMFGQQIPYNQM-CQSZACIVSA-N 0 0 451.683 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(Cc3ccccc3)ccc2O)(c2ccccc2)C1 ZINC001455140767 1066365225 /nfs/dbraw/zinc/36/52/25/1066365225.db2.gz PDUHXAZESZGIHV-UHFFFAOYSA-N 0 0 458.558 4.859 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CC3(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001443770474 1066365359 /nfs/dbraw/zinc/36/53/59/1066365359.db2.gz SUPPMSHVONAXBA-DZRGJMJISA-N 0 0 450.579 4.659 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361114007 1066365431 /nfs/dbraw/zinc/36/54/31/1066365431.db2.gz YWRDGFAOGFJRCP-ATIYNZHBSA-N 0 0 463.626 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC001455152532 1066365600 /nfs/dbraw/zinc/36/56/00/1066365600.db2.gz JBZHVWVHYSUCPB-QGZVFWFLSA-N 0 0 453.004 4.856 20 0 JJADRN O=C(CCn1ccc2cc(Cl)ccc21)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC001455144445 1066365659 /nfs/dbraw/zinc/36/56/59/1066365659.db2.gz ISGXSLDVXWAONT-SSEXGKCCSA-N 0 0 457.905 4.848 20 0 JJADRN O=C(NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC001455147205 1066365744 /nfs/dbraw/zinc/36/57/44/1066365744.db2.gz QDEBPBPSFSDMGR-GDLZYMKVSA-N 0 0 456.820 4.718 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)Oc1ccc(Br)cc1 ZINC001361114463 1066366067 /nfs/dbraw/zinc/36/60/67/1066366067.db2.gz KSFUVYFTTXPZSC-UYHISHBKSA-N 0 0 453.174 4.899 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)Oc1ccc(Cl)cc1 ZINC001361114540 1066366146 /nfs/dbraw/zinc/36/61/46/1066366146.db2.gz LXUPISVUYWVWIJ-JXHRLWIKSA-N 0 0 473.013 4.949 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)NCC(=O)c2sc3ccccc3c2Cl)c(=O)[nH]1 ZINC001455157199 1066366463 /nfs/dbraw/zinc/36/64/63/1066366463.db2.gz FSJJCBLUXFFMTR-UHFFFAOYSA-N 0 0 452.919 4.944 20 0 JJADRN CC[C@@H]1[C@H](C(=O)NCC(=O)c2sc3ccccc3c2Cl)CCN1C(=O)OC(C)(C)C ZINC001455158699 1066366949 /nfs/dbraw/zinc/36/69/49/1066366949.db2.gz KOQZUTRYGHJRIN-UKRRQHHQSA-N 0 0 450.988 4.889 20 0 JJADRN Cc1ccn2cc(Cn3c(N4CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)nc2c1 ZINC001361115430 1066366899 /nfs/dbraw/zinc/36/68/99/1066366899.db2.gz KFKMBGDYQQGSIX-PMACEKPBSA-N 0 0 495.672 4.710 20 0 JJADRN Cc1cc2cc(Cn3c(CC(C)C)nnc3N3CCC(NC(=O)OC(C)(C)C)CC3)ccc2[nH]1 ZINC001361115573 1066366989 /nfs/dbraw/zinc/36/69/89/1066366989.db2.gz OYVSJBSWTZIGKS-UHFFFAOYSA-N 0 0 466.630 4.808 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c2C(F)(F)F)c1 ZINC001443777522 1066367166 /nfs/dbraw/zinc/36/71/66/1066367166.db2.gz WKLFJPUSIIVITG-HNNXBMFYSA-N 0 0 454.493 4.575 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1 ZINC001361116541 1066367608 /nfs/dbraw/zinc/36/76/08/1066367608.db2.gz FRVSWRXMXJHHCD-UKILVPOCSA-N 0 0 495.712 4.979 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)N[C@@H](c3cccc(Cl)c3)C(F)F)cc2)nc1C(F)(F)F ZINC001455174908 1066367800 /nfs/dbraw/zinc/36/78/00/1066367800.db2.gz ZDRZWQHHAOQVML-INIZCTEOSA-N 0 0 458.818 4.922 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3c4ccccc4CC[C@H]3F)c2)cc1F ZINC001455171911 1066367923 /nfs/dbraw/zinc/36/79/23/1066367923.db2.gz USLLLHBPESWAIH-FYYLOGMGSA-N 0 0 456.514 4.690 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)C(F)(F)F)CC2)cc1 ZINC001361116843 1066368012 /nfs/dbraw/zinc/36/80/12/1066368012.db2.gz RDIAUSIPOUPZQU-UHFFFAOYSA-N 0 0 465.564 4.726 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1 ZINC001361116542 1066368085 /nfs/dbraw/zinc/36/80/85/1066368085.db2.gz FRVSWRXMXJHHCD-ZCYQVOJMSA-N 0 0 495.712 4.979 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3c4ccccc4CC[C@H]3F)c2)cc1F ZINC001455171917 1066368134 /nfs/dbraw/zinc/36/81/34/1066368134.db2.gz USLLLHBPESWAIH-GGAORHGYSA-N 0 0 456.514 4.690 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3)CC2)s1 ZINC001361116970 1066368354 /nfs/dbraw/zinc/36/83/54/1066368354.db2.gz VRJPVYNBAYGSIK-LJQANCHMSA-N 0 0 481.666 4.667 20 0 JJADRN CC(=O)c1ncc(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)s1 ZINC001361117434 1066368567 /nfs/dbraw/zinc/36/85/67/1066368567.db2.gz GMZFZRZGGFCYJF-UHFFFAOYSA-N 0 0 455.337 4.759 20 0 JJADRN COc1cccc(C[C@@H](O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 ZINC001443786466 1066368578 /nfs/dbraw/zinc/36/85/78/1066368578.db2.gz HSYOPMGHMLLYBR-GOSISDBHSA-N 0 0 450.388 4.583 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NC(C1CCCCC1)C1CCCCC1 ZINC001455180428 1066368541 /nfs/dbraw/zinc/36/85/41/1066368541.db2.gz YGXDWFSLNSYPNU-UHFFFAOYSA-N 0 0 452.574 4.805 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(CC(C)(C)C)nn3C)ccc2C)cc1 ZINC001443790960 1066368999 /nfs/dbraw/zinc/36/89/99/1066368999.db2.gz ORFUEWUGOGKSRQ-UHFFFAOYSA-N 0 0 454.596 4.679 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)NC[C@H]1CCOc2ccccc21)NC(=O)OC(C)(C)C ZINC001443789037 1066369070 /nfs/dbraw/zinc/36/90/70/1066369070.db2.gz LBBXMXDDZSTDTO-WIYYLYMNSA-N 0 0 454.567 4.724 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001546069878 1066369226 /nfs/dbraw/zinc/36/92/26/1066369226.db2.gz XYUKYBOBMSTVSE-SFTDATJTSA-N 0 0 456.583 4.842 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)cc1 ZINC001361118330 1066369923 /nfs/dbraw/zinc/36/99/23/1066369923.db2.gz WVIJBFYULKEAOQ-DNQXCXABSA-N 0 0 495.712 4.977 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CCc3ccccc3C(F)(F)F)CC2)s1 ZINC001361118362 1066370093 /nfs/dbraw/zinc/37/00/93/1066370093.db2.gz YBCVAYOZOCMHGN-UHFFFAOYSA-N 0 0 477.556 4.617 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)c1 ZINC001455199462 1066369925 /nfs/dbraw/zinc/36/99/25/1066369925.db2.gz UDSVBUKLKLCFOJ-SFHVURJKSA-N 0 0 454.449 4.888 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001455206343 1066370175 /nfs/dbraw/zinc/37/01/75/1066370175.db2.gz WAZAZFGVBJFJDB-HXUWFJFHSA-N 0 0 450.970 4.521 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@@H]3COc4c3ccc(Cl)c4Cl)cs2)cc1OC ZINC001361118932 1066370302 /nfs/dbraw/zinc/37/03/02/1066370302.db2.gz KMZFCCHFMNINSH-CYBMUJFWSA-N 0 0 451.331 4.998 20 0 JJADRN CN(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001361119299 1066370414 /nfs/dbraw/zinc/37/04/14/1066370414.db2.gz VUNZKYPGFFNOLA-UHFFFAOYSA-N 0 0 459.333 4.933 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc(Br)cc1Cl ZINC001443811863 1066370746 /nfs/dbraw/zinc/37/07/46/1066370746.db2.gz DISKITPPZZBESB-SANMLTNESA-N 0 0 456.789 4.783 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(C(C)C)nnc2N2CCC(c3ccsc3)CC2)cc1F ZINC001361119861 1066371037 /nfs/dbraw/zinc/37/10/37/1066371037.db2.gz LCZXLXZXAIYGNS-UHFFFAOYSA-N 0 0 455.603 4.725 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@@H]2C)cc1 ZINC001361119870 1066371076 /nfs/dbraw/zinc/37/10/76/1066371076.db2.gz LHDPQMRQYFMRMB-CVEARBPZSA-N 0 0 488.455 4.742 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c1 ZINC001443817254 1066371132 /nfs/dbraw/zinc/37/11/32/1066371132.db2.gz KJYPWVDFTCJVIB-HHHXNRCGSA-N 0 0 450.398 4.746 20 0 JJADRN CN(CC(=O)NCc1cccs1)C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001443818647 1066371164 /nfs/dbraw/zinc/37/11/64/1066371164.db2.gz IAKSSCZVCITSTH-STZFKDTASA-N 0 0 456.514 4.665 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)cc1 ZINC001361121237 1066371230 /nfs/dbraw/zinc/37/12/30/1066371230.db2.gz CJUIUEBLGDEALH-OAQYLSRUSA-N 0 0 453.457 4.636 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2CCC(OCCC(C)C)CC2)cc1 ZINC001361120921 1066371338 /nfs/dbraw/zinc/37/13/38/1066371338.db2.gz TUOUNBNNVSTWSN-UHFFFAOYSA-N 0 0 469.674 4.637 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001455213018 1066371313 /nfs/dbraw/zinc/37/13/13/1066371313.db2.gz MWKZPKKVCWJMBU-IEBWSBKVSA-N 0 0 452.473 4.830 20 0 JJADRN 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ZINC001361126107 1066382468 /nfs/dbraw/zinc/38/24/68/1066382468.db2.gz LEMOFYBDSMSKCW-SFHVURJKSA-N 0 0 466.573 4.922 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC001455314237 1066382853 /nfs/dbraw/zinc/38/28/53/1066382853.db2.gz JEYQAKXFUYOLEF-SFHVURJKSA-N 0 0 452.686 4.892 20 0 JJADRN Cc1cc(C)c(-c2cc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)n[nH]2)cc1C ZINC001455308680 1066382887 /nfs/dbraw/zinc/38/28/87/1066382887.db2.gz XRXZXROJRXACON-UHFFFAOYSA-N 0 0 458.419 4.993 20 0 JJADRN O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)c1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC001455310980 1066382924 /nfs/dbraw/zinc/38/29/24/1066382924.db2.gz NPFKHXAKCUGKFH-HSZRJFAPSA-N 0 0 457.313 4.746 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC2(C)CCC2)c1 ZINC001361126201 1066382827 /nfs/dbraw/zinc/38/28/27/1066382827.db2.gz NLNJQCMAEBMLRX-UHFFFAOYSA-N 0 0 467.658 4.961 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001443896461 1066382997 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VNHOYVYDRZMWHV-UHFFFAOYSA-N 0 0 453.593 4.506 20 0 JJADRN O=C(Cc1cccc(I)c1)NCCn1c2ccccc2c2ccccc21 ZINC001546071769 1066384369 /nfs/dbraw/zinc/38/43/69/1066384369.db2.gz NVSGHYGWOGGOHQ-UHFFFAOYSA-N 0 0 454.311 4.758 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc2ncn(C(C)C)c2c1 ZINC001455355190 1066384526 /nfs/dbraw/zinc/38/45/26/1066384526.db2.gz QRKPLIBRRRWSFK-KRWDZBQOSA-N 0 0 459.637 4.598 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCn2cccn2)c1 ZINC001361126477 1066384648 /nfs/dbraw/zinc/38/46/48/1066384648.db2.gz SJAYZLCKWRGAEA-NRFANRHFSA-N 0 0 466.630 4.579 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)OC3CCCC3)n2CC2([S@@](C)=O)CCC2)c1 ZINC001361126510 1066384908 /nfs/dbraw/zinc/38/49/08/1066384908.db2.gz TUWUOXSXNPINBJ-MGBGTMOVSA-N 0 0 474.671 4.901 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CCCC[C@H]3c3ncccn3)cc21 ZINC001455372557 1066385005 /nfs/dbraw/zinc/38/50/05/1066385005.db2.gz RTRTYGJFYDVFCF-IRLDBZIGSA-N 0 0 450.583 4.789 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC=C(C(F)(F)F)CC2)n[nH]1 ZINC001361126537 1066385123 /nfs/dbraw/zinc/38/51/23/1066385123.db2.gz ULWYQFBWBAKSNJ-UHFFFAOYSA-N 0 0 489.546 4.657 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455374144 1066385523 /nfs/dbraw/zinc/38/55/23/1066385523.db2.gz FKCQCTCIQWESGL-ZVXPMLRVSA-N 0 0 460.615 4.669 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC001455393034 1066385776 /nfs/dbraw/zinc/38/57/76/1066385776.db2.gz NUFDXEYJWDCMGW-UHFFFAOYSA-N 0 0 457.424 4.915 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)C3)n2CCOc2ncccc2F)c1 ZINC001361126752 1066385715 /nfs/dbraw/zinc/38/57/15/1066385715.db2.gz ZQFZBWQUEBRMSW-IBGZPJMESA-N 0 0 453.562 4.748 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC001455394882 1066385829 /nfs/dbraw/zinc/38/58/29/1066385829.db2.gz GIRLCSQBMCLBLM-WSMAHZFNSA-N 0 0 477.577 4.848 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc21 ZINC001455402543 1066386311 /nfs/dbraw/zinc/38/63/11/1066386311.db2.gz XKGJIILIKGTCPV-OPAMFIHVSA-N 0 0 459.377 4.760 20 0 JJADRN COC(=O)CC[C@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001455398944 1066386455 /nfs/dbraw/zinc/38/64/55/1066386455.db2.gz HQSAQBHLKLTJKA-CYBMUJFWSA-N 0 0 450.295 4.592 20 0 JJADRN COC(=O)CC[C@H]1CCCN(C(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001455398310 1066386515 /nfs/dbraw/zinc/38/65/15/1066386515.db2.gz FIFZRBFNZIOOEN-RTWAWAEBSA-N 0 0 452.636 4.822 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCC(=O)NC(C)C)c1 ZINC001361126956 1066386904 /nfs/dbraw/zinc/38/69/04/1066386904.db2.gz CSVZXDDQDCXTAQ-IBGZPJMESA-N 0 0 477.600 4.685 20 0 JJADRN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001455403998 1066386796 /nfs/dbraw/zinc/38/67/96/1066386796.db2.gz ALNDYUWYBAXJEU-UHFFFAOYSA-N 0 0 459.250 4.702 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001546072332 1066386812 /nfs/dbraw/zinc/38/68/12/1066386812.db2.gz CTEMXAXYGUUSFD-VSGBNLITSA-N 0 0 497.684 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001455405594 1066386896 /nfs/dbraw/zinc/38/68/96/1066386896.db2.gz OOLABTANTPRWAT-ILWGZMRPSA-N 0 0 472.532 4.870 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001443947874 1066387179 /nfs/dbraw/zinc/38/71/79/1066387179.db2.gz ORICRMPVECQVHU-AWEZNQCLSA-N 0 0 454.445 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc2c(F)ccc(F)c2c1 ZINC001455410440 1066387421 /nfs/dbraw/zinc/38/74/21/1066387421.db2.gz IZVQIVSGHRBZKX-GOSISDBHSA-N 0 0 453.489 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(-c2cccc(F)c2)no1 ZINC001455411742 1066387495 /nfs/dbraw/zinc/38/74/95/1066387495.db2.gz JOVHGVKKRIJBHN-HXUWFJFHSA-N 0 0 451.498 4.573 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(N4CCCC4=O)CC3)n2CC(C)C)c1 ZINC001361127287 1066387923 /nfs/dbraw/zinc/38/79/23/1066387923.db2.gz HAHFKWLIYULQCS-UHFFFAOYSA-N 0 0 453.631 4.536 20 0 JJADRN C[C@@H](CC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)c1cccc(F)c1 ZINC001455416940 1066388044 /nfs/dbraw/zinc/38/80/44/1066388044.db2.gz SXKZEZNGNSFSPR-HTAPYJJXSA-N 0 0 454.542 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CN(C(=O)Cc3cc(Cl)ccc3Br)C2)CC1 ZINC001455417437 1066388115 /nfs/dbraw/zinc/38/81/15/1066388115.db2.gz PSWFAVNRSVKPDU-UHFFFAOYSA-N 0 0 457.796 4.505 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC3)n2CCCN2CCCCCC2=O)c1 ZINC001361127298 1066388057 /nfs/dbraw/zinc/38/80/57/1066388057.db2.gz HDMKMZVVAVGHGC-UHFFFAOYSA-N 0 0 453.631 4.682 20 0 JJADRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc(I)cc1N ZINC001455421102 1066388403 /nfs/dbraw/zinc/38/84/03/1066388403.db2.gz VJVZMWZXMVNIPD-INIZCTEOSA-N 0 0 454.739 4.935 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)C1 ZINC001546072538 1066388522 /nfs/dbraw/zinc/38/85/22/1066388522.db2.gz GOYIPLRZFJCQMR-MHECFPHRSA-N 0 0 492.068 4.569 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NC[C@H](CO)c1ccc(Cl)cc1)C1CCCCCC1 ZINC001455420117 1066388588 /nfs/dbraw/zinc/38/85/88/1066388588.db2.gz IVJUWQAQIWKWBL-TZIWHRDSSA-N 0 0 453.023 4.643 20 0 JJADRN O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001455424801 1066388837 /nfs/dbraw/zinc/38/88/37/1066388837.db2.gz MJIXIQCLUNEDSA-AWEZNQCLSA-N 0 0 452.725 4.563 20 0 JJADRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc(I)cc1N ZINC001455421105 1066388868 /nfs/dbraw/zinc/38/88/68/1066388868.db2.gz VJVZMWZXMVNIPD-MRXNPFEDSA-N 0 0 454.739 4.935 20 0 JJADRN COc1ccc(Cl)cc1NCC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001455424132 1066388895 /nfs/dbraw/zinc/38/88/95/1066388895.db2.gz GQUKRVMBRUGZKX-MRXNPFEDSA-N 0 0 459.974 4.806 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C1 ZINC001546072588 1066388941 /nfs/dbraw/zinc/38/89/41/1066388941.db2.gz HKOQHGRGSFWPGG-IDISGSTGSA-N 0 0 453.675 4.762 20 0 JJADRN O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1SCc1cn2ccccc2n1 ZINC001455422083 1066389012 /nfs/dbraw/zinc/38/90/12/1066389012.db2.gz FDMMUUVWQGLKJT-FQEVSTJZSA-N 0 0 451.979 4.613 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)c2ccccc21 ZINC001455426040 1066389047 /nfs/dbraw/zinc/38/90/47/1066389047.db2.gz PBCGMENHRMRAOS-INIZCTEOSA-N 0 0 457.958 4.743 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C2CC2)c1 ZINC001361127723 1066389373 /nfs/dbraw/zinc/38/93/73/1066389373.db2.gz OIMBFQFVNXPZAK-LJQANCHMSA-N 0 0 453.631 4.755 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001546072659 1066389485 /nfs/dbraw/zinc/38/94/85/1066389485.db2.gz IIQNUFIWECLUNR-SIBVEZHUSA-N 0 0 456.631 4.794 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CC[C@H](C)C2)c1 ZINC001361127727 1066389572 /nfs/dbraw/zinc/38/95/72/1066389572.db2.gz OIVCNSOEWJZUAF-NNWRFLSQSA-N 0 0 467.658 4.817 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC001545963480 1066389551 /nfs/dbraw/zinc/38/95/51/1066389551.db2.gz WZSGIYZZYMARAQ-ICSRJNTNSA-N 0 0 464.488 4.868 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cccc(NCC(C)(C)C)c3C)CC2)c1 ZINC001443975136 1066389847 /nfs/dbraw/zinc/38/98/47/1066389847.db2.gz YWJSIOXHRPIESL-OAQYLSRUSA-N 0 0 451.611 4.513 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361127827 1066390070 /nfs/dbraw/zinc/39/00/70/1066390070.db2.gz OXZSWFRQOSTAKZ-ATIYNZHBSA-N 0 0 470.658 4.967 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001443978575 1066390178 /nfs/dbraw/zinc/39/01/78/1066390178.db2.gz OMXZIZODFUPXTR-MJGOQNOKSA-N 0 0 457.537 4.682 20 0 JJADRN CN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC001443986094 1066390299 /nfs/dbraw/zinc/39/02/99/1066390299.db2.gz VRSTVZOENOWJNX-NRFANRHFSA-N 0 0 454.640 4.940 20 0 JJADRN 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CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 ZINC001455454271 1066391668 /nfs/dbraw/zinc/39/16/68/1066391668.db2.gz JDMUGMKZPMEYLB-VWLOTQADSA-N 0 0 454.586 4.950 20 0 JJADRN C[C@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccncc1Br ZINC001455450752 1066391775 /nfs/dbraw/zinc/39/17/75/1066391775.db2.gz ZQVDQUMEJXCMQD-ZDUSSCGKSA-N 0 0 454.353 4.644 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]4CCC[C@H]43)n2CCNC(=O)C(C)(C)C)c1 ZINC001361128481 1066391929 /nfs/dbraw/zinc/39/19/29/1066391929.db2.gz XGUPAJDTKPNTHW-RBBKRZOGSA-N 0 0 467.658 4.830 20 0 JJADRN CC[C@H](C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)N1CCO[C@H](CC)C1 ZINC001455454228 1066391987 /nfs/dbraw/zinc/39/19/87/1066391987.db2.gz PABUPEVSNWRZPP-UEVCKROQSA-N 0 0 459.428 4.886 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccncc1Br ZINC001455455193 1066392163 /nfs/dbraw/zinc/39/21/63/1066392163.db2.gz FBSKEUOLNQNLHD-MRVPVSSYSA-N 0 0 450.077 4.699 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001361128461 1066392097 /nfs/dbraw/zinc/39/20/97/1066392097.db2.gz WYHPIZNQZBFPGE-QHCPKHFHSA-N 0 0 480.657 4.808 20 0 JJADRN COc1ccc(C2(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1OC ZINC001443997481 1066392451 /nfs/dbraw/zinc/39/24/51/1066392451.db2.gz NKDXUCFUEKDBPB-FQEVSTJZSA-N 0 0 454.567 4.508 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1ccc(-n2cncn2)nc1 ZINC001443994186 1066392515 /nfs/dbraw/zinc/39/25/15/1066392515.db2.gz PGIVMZWTAIVQSR-UHFFFAOYSA-N 0 0 455.562 4.829 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)C1 ZINC001546072873 1066392948 /nfs/dbraw/zinc/39/29/48/1066392948.db2.gz LRGOTDYVWYIHPK-LVXARBLLSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(F)(F)CC3)n2CCC(=O)N2CCCCC2)c1 ZINC001361128528 1066392977 /nfs/dbraw/zinc/39/29/77/1066392977.db2.gz YKYQKTBMWMFCIQ-UHFFFAOYSA-N 0 0 489.611 4.927 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460466 1066393216 /nfs/dbraw/zinc/39/32/16/1066393216.db2.gz BTYZANJYMRXSEG-DQEYMECFSA-N 0 0 453.602 4.574 20 0 JJADRN CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)C2)[nH]n1 ZINC001455460659 1066393319 /nfs/dbraw/zinc/39/33/19/1066393319.db2.gz CTSMZIVZQMREFX-OAQYLSRUSA-N 0 0 451.592 4.527 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCSC2)c1 ZINC001361130059 1066394541 /nfs/dbraw/zinc/39/45/41/1066394541.db2.gz HUPGYNYVIHQHFT-OFNKIYASSA-N 0 0 458.672 4.903 20 0 JJADRN CC(C)N1C(=S)N=NC1CNC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001444016834 1066394418 /nfs/dbraw/zinc/39/44/18/1066394418.db2.gz OLRVVGBSQAZADD-SFHVURJKSA-N 0 0 451.379 4.891 20 0 JJADRN Cc1nsc(N2CCN(C(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001444017268 1066394563 /nfs/dbraw/zinc/39/45/63/1066394563.db2.gz PSFOYCPWMWQWAG-NRFANRHFSA-N 0 0 459.040 4.671 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC001455464506 1066394897 /nfs/dbraw/zinc/39/48/97/1066394897.db2.gz KOGOGLAUTPDVBE-HSZRJFAPSA-N 0 0 451.542 4.717 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001455472909 1066395562 /nfs/dbraw/zinc/39/55/62/1066395562.db2.gz SPBBTJGKXJRCDS-CDVOZFELSA-N 0 0 454.394 4.571 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H]2CCC=CO2)c1 ZINC001361130476 1066395618 /nfs/dbraw/zinc/39/56/18/1066395618.db2.gz NPSGFSWKZVNJKE-DHIUTWEWSA-N 0 0 495.668 4.675 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)oc21 ZINC001361130366 1066395660 /nfs/dbraw/zinc/39/56/60/1066395660.db2.gz OWGOZSSBUWYHCH-UHFFFAOYSA-N 0 0 455.352 4.881 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1ccc(Cl)cc1 ZINC001444022556 1066395513 /nfs/dbraw/zinc/39/55/13/1066395513.db2.gz CCMLSCBRKYIVJH-NHAHXKBOSA-N 0 0 458.990 4.915 20 0 JJADRN COc1cc(N(C)C(=O)c2ccccc2NC(=O)OCc2ccccc2)cc(OC)c1OC ZINC001444023578 1066395614 /nfs/dbraw/zinc/39/56/14/1066395614.db2.gz GYKXZVSLSUPIFK-UHFFFAOYSA-N 0 0 450.491 4.738 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001444023729 1066395682 /nfs/dbraw/zinc/39/56/82/1066395682.db2.gz SGUXEHNGILJXPG-NRFANRHFSA-N 0 0 452.938 4.823 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(COc4cc(C)ccc4C(C)C)n3CCC(C)C)CC2)on1 ZINC001361130434 1066395727 /nfs/dbraw/zinc/39/57/27/1066395727.db2.gz MMBKUVHTQRLFRK-UHFFFAOYSA-N 0 0 480.657 4.954 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3cccc(NC(=O)N(C)C)c3)c3ccccc3n2)cc1 ZINC001444023695 1066395792 /nfs/dbraw/zinc/39/57/92/1066395792.db2.gz RTQXSFFIMIAYIV-UHFFFAOYSA-N 0 0 454.530 4.934 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1ccc(Cl)cc1 ZINC001444022545 1066395808 /nfs/dbraw/zinc/39/58/08/1066395808.db2.gz CCMLSCBRKYIVJH-JXNBOPDTSA-N 0 0 458.990 4.915 20 0 JJADRN COCC(C)(C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl ZINC001455475946 1066395898 /nfs/dbraw/zinc/39/58/98/1066395898.db2.gz IVPRBIHUVUUYPM-UHFFFAOYSA-N 0 0 453.004 4.550 20 0 JJADRN C[C@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455474225 1066395983 /nfs/dbraw/zinc/39/59/83/1066395983.db2.gz RPXAYEARGLGCKI-FPTDNZKUSA-N 0 0 450.988 4.795 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(OC(C)C)CCC3)c2)c1 ZINC001455474277 1066396005 /nfs/dbraw/zinc/39/60/05/1066396005.db2.gz VIHQDMRZDGTORS-UHFFFAOYSA-N 0 0 450.988 4.527 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361130792 1066396042 /nfs/dbraw/zinc/39/60/42/1066396042.db2.gz RINSOCKBBGFPDS-AREMUKBSSA-N 0 0 492.668 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3cnc4c(ccc(F)c4F)c3)cccc2C1 ZINC001455479525 1066396321 /nfs/dbraw/zinc/39/63/21/1066396321.db2.gz ISRSHHCXGOFPMB-UHFFFAOYSA-N 0 0 453.489 4.987 20 0 JJADRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001455482248 1066396417 /nfs/dbraw/zinc/39/64/17/1066396417.db2.gz PHCGQKOGVZCJGE-VGSWGCGISA-N 0 0 456.464 4.804 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001444032091 1066396888 /nfs/dbraw/zinc/39/68/88/1066396888.db2.gz MJEFYWHJYNTKBW-HSZRJFAPSA-N 0 0 456.995 4.915 20 0 JJADRN C[C@]12CN(C(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)C[C@@]1(C)CS(=O)(=O)C2 ZINC001455487303 1066396916 /nfs/dbraw/zinc/39/69/16/1066396916.db2.gz ALEUJPFXTYBKLJ-CALCHBBNSA-N 0 0 452.812 4.758 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001546073111 1066396993 /nfs/dbraw/zinc/39/69/93/1066396993.db2.gz OYVSXXNLTOWSHI-BAEUJYSMSA-N 0 0 475.678 4.570 20 0 JJADRN C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]1C ZINC001455491328 1066397123 /nfs/dbraw/zinc/39/71/23/1066397123.db2.gz GVTRBWQDJBOVRE-GGUMNFRJSA-N 0 0 450.579 4.718 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC001444037399 1066397170 /nfs/dbraw/zinc/39/71/70/1066397170.db2.gz UIJHXXWVFVDBIT-NNMXDRDESA-N 0 0 456.608 4.893 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2[C@@H]2C[C@H]2CF)c1 ZINC001361131027 1066397159 /nfs/dbraw/zinc/39/71/59/1066397159.db2.gz VWRNWZNKWTUZKB-CMKODMSKSA-N 0 0 483.554 4.892 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1 ZINC001444036612 1066397386 /nfs/dbraw/zinc/39/73/86/1066397386.db2.gz XOFKCZWFNUGYOD-YFZFPPMRSA-N 0 0 456.999 4.799 20 0 JJADRN NC(=O)N[C@@H](CC(=O)NC1(c2nccs2)CCCC1)c1cccc(Oc2ccccc2)c1 ZINC001444057835 1066397622 /nfs/dbraw/zinc/39/76/22/1066397622.db2.gz GRSRGVLWEWUBPW-FQEVSTJZSA-N 0 0 450.564 4.621 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)s2)c1 ZINC001455497267 1066398132 /nfs/dbraw/zinc/39/81/32/1066398132.db2.gz FFTVJJBHEWQHPO-LJQANCHMSA-N 0 0 457.596 4.718 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC001444061378 1066398261 /nfs/dbraw/zinc/39/82/61/1066398261.db2.gz HIIHYLBHHYBWGB-FDDCHVKYSA-N 0 0 452.601 4.806 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361131202 1066398270 /nfs/dbraw/zinc/39/82/70/1066398270.db2.gz BGEBBQCTPYWHMU-AEFFLSMTSA-N 0 0 474.531 4.859 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC001444062511 1066398576 /nfs/dbraw/zinc/39/85/76/1066398576.db2.gz CKNIUCQADJEHBE-SSEXGKCCSA-N 0 0 456.674 4.710 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)c3oc(CNC(=O)OC(C)(C)C)cc3C)s2)c1 ZINC001455500669 1066398646 /nfs/dbraw/zinc/39/86/46/1066398646.db2.gz IFDVTSBIMIHWQC-UHFFFAOYSA-N 0 0 457.552 4.921 20 0 JJADRN CC[C@H]1CCCN1C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC001444064877 1066398997 /nfs/dbraw/zinc/39/89/97/1066398997.db2.gz JMACRTWHFHPPMC-FQEVSTJZSA-N 0 0 450.608 4.956 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC001444073574 1066400186 /nfs/dbraw/zinc/40/01/86/1066400186.db2.gz YUMQNDDQDQSLBV-FQEVSTJZSA-N 0 0 451.945 4.536 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC001444073575 1066400207 /nfs/dbraw/zinc/40/02/07/1066400207.db2.gz YUMQNDDQDQSLBV-HXUWFJFHSA-N 0 0 451.945 4.536 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001361131668 1066400052 /nfs/dbraw/zinc/40/00/52/1066400052.db2.gz NPTNQGNRQGMZJY-UHFFFAOYSA-N 0 0 487.714 4.783 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)C[C@@](C)(O)c2ccccc2)C1)C1CCCC1 ZINC001455508509 1066400333 /nfs/dbraw/zinc/40/03/33/1066400333.db2.gz FJILQXXUGQFDTH-SZEHJLNQSA-N 0 0 458.643 4.996 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(C(=O)Cc2[nH]nc3c2CCCC3)C1)C1CCCC1 ZINC001455508140 1066400366 /nfs/dbraw/zinc/40/03/66/1066400366.db2.gz CVFRYQSAYODJET-AVRDEDQJSA-N 0 0 458.647 4.543 20 0 JJADRN CC(C)C[C@@H](CC(=O)NCC1(c2ccc(Br)cc2)CC1)NC(=O)OC(C)(C)C ZINC001455510496 1066401564 /nfs/dbraw/zinc/40/15/64/1066401564.db2.gz DAVVFMVXLBNMLK-SFHVURJKSA-N 0 0 453.421 4.926 20 0 JJADRN C[C@@H]1CCc2[nH]nc(C(=O)N3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001455510113 1066401778 /nfs/dbraw/zinc/40/17/78/1066401778.db2.gz MQVBDFBQBBIXFW-KGVIQGDOSA-N 0 0 458.647 4.860 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N3CCC(c4nc(C(C)(C)C)cs4)CC3)CC2=O)c1 ZINC001444082780 1066401903 /nfs/dbraw/zinc/40/19/03/1066401903.db2.gz MFRFMUPIMXBTOV-QGZVFWFLSA-N 0 0 457.665 4.922 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCSCC2)cs1 ZINC001361132236 1066402195 /nfs/dbraw/zinc/40/21/95/1066402195.db2.gz WRRMVEQXQLTPLA-UHFFFAOYSA-N 0 0 457.669 4.850 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455518953 1066403324 /nfs/dbraw/zinc/40/33/24/1066403324.db2.gz STFDMIAKZQYLBL-AVRWGWEMSA-N 0 0 471.623 4.913 20 0 JJADRN C[C@@H](CN(C)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F)C(C)(C)C ZINC001455521071 1066403474 /nfs/dbraw/zinc/40/34/74/1066403474.db2.gz GEZMJNKXEYBPLE-AWEZNQCLSA-N 0 0 457.566 4.542 20 0 JJADRN CO[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 ZINC001361132660 1066403266 /nfs/dbraw/zinc/40/32/66/1066403266.db2.gz AFBOXGBTDUOQEG-UXHICEINSA-N 0 0 451.792 4.743 20 0 JJADRN C[C@H](CN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455521969 1066403784 /nfs/dbraw/zinc/40/37/84/1066403784.db2.gz MEERIOQUFIBNIB-KNQAVFIVSA-N 0 0 456.631 4.508 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001361133135 1066403822 /nfs/dbraw/zinc/40/38/22/1066403822.db2.gz IGHFVCCRIYYUPM-KRWDZBQOSA-N 0 0 457.571 4.885 20 0 JJADRN CO[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(Cl)cc1 ZINC001361133657 1066403893 /nfs/dbraw/zinc/40/38/93/1066403893.db2.gz XPWRENWHGLMTFD-KRWDZBQOSA-N 0 0 452.711 4.545 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)cc1 ZINC001361133311 1066403923 /nfs/dbraw/zinc/40/39/23/1066403923.db2.gz NLEYYHQOJMLJMB-GOSISDBHSA-N 0 0 453.384 4.650 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(NCc2nc(C)cs2)c1 ZINC001444090273 1066403964 /nfs/dbraw/zinc/40/39/64/1066403964.db2.gz ZOBDEQPCUPNBAZ-UHFFFAOYSA-N 0 0 459.518 4.547 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC001361133915 1066404639 /nfs/dbraw/zinc/40/46/39/1066404639.db2.gz DCZVUUVKOBWJFH-JOCHJYFZSA-N 0 0 451.659 4.818 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134049 1066404719 /nfs/dbraw/zinc/40/47/19/1066404719.db2.gz GENGWQAIMGPRGA-NFBKMPQASA-N 0 0 476.625 4.898 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361133756 1066404786 /nfs/dbraw/zinc/40/47/86/1066404786.db2.gz AFLIBDWAYMOXCB-LQWHRVPQSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001361133850 1066404797 /nfs/dbraw/zinc/40/47/97/1066404797.db2.gz CGGBRWBHWOSRKW-OAQYLSRUSA-N 0 0 451.659 4.818 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 ZINC001361133755 1066404836 /nfs/dbraw/zinc/40/48/36/1066404836.db2.gz AFLIBDWAYMOXCB-DBXWQHBBSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361133758 1066404921 /nfs/dbraw/zinc/40/49/21/1066404921.db2.gz AFLIBDWAYMOXCB-OPYAIIAOSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H](C2N=NC(=S)N2C(C)C)C1 ZINC001444092310 1066404968 /nfs/dbraw/zinc/40/49/68/1066404968.db2.gz LUBNMSKGDWKMJK-INIZCTEOSA-N 0 0 459.616 4.662 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)o2)cc1 ZINC001455530134 1066404971 /nfs/dbraw/zinc/40/49/71/1066404971.db2.gz HHTMUTMLHZMWCO-HJNYFJLDSA-N 0 0 452.595 4.516 20 0 JJADRN Cc1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc(C(=O)OC(C)(C)C)c1 ZINC001455532701 1066405706 /nfs/dbraw/zinc/40/57/06/1066405706.db2.gz NTIODPUENHYXJB-FQRUVTKNSA-N 0 0 458.599 4.860 20 0 JJADRN Cn1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(-c2ccc(Cl)s2)n1 ZINC001455532386 1066405758 /nfs/dbraw/zinc/40/57/58/1066405758.db2.gz LYTZLGDCGHMWFP-OPAMFIHVSA-N 0 0 465.019 4.712 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)c2ccc(C)cc2)cs1 ZINC001361134551 1066406320 /nfs/dbraw/zinc/40/63/20/1066406320.db2.gz LGNRGUBIHOSPFX-AVRDEDQJSA-N 0 0 453.656 4.997 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001455534138 1066406630 /nfs/dbraw/zinc/40/66/30/1066406630.db2.gz VVUVAUUWAUPRDM-IFMALSPDSA-N 0 0 474.504 4.714 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1)OC ZINC001545964436 1066406599 /nfs/dbraw/zinc/40/65/99/1066406599.db2.gz DOCZLSAOLCBJSE-RDJZCZTQSA-N 0 0 463.413 4.794 20 0 JJADRN Cc1cc(CN(C)C(=O)c2ccc3n[nH]c(=O)n3c2)cc(C)c1OCc1ccccc1Cl ZINC001444102473 1066406952 /nfs/dbraw/zinc/40/69/52/1066406952.db2.gz LDEXAXZTRJEQPY-UHFFFAOYSA-N 0 0 450.926 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)[C@H]3CCOc4ccc(Br)cc43)CCC[C@@H]12 ZINC001455536890 1066406915 /nfs/dbraw/zinc/40/69/15/1066406915.db2.gz KWUQTXPUMYKEPC-XKDCRVNJSA-N 0 0 479.415 4.611 20 0 JJADRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2)cc1Cl ZINC001455539568 1066407842 /nfs/dbraw/zinc/40/78/42/1066407842.db2.gz YETJJIHURCEVIT-UHFFFAOYSA-N 0 0 454.910 4.548 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc1C ZINC001455545030 1066408716 /nfs/dbraw/zinc/40/87/16/1066408716.db2.gz GXNWUQYZSVCZSU-IBGZPJMESA-N 0 0 452.576 4.912 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC001444117426 1066408715 /nfs/dbraw/zinc/40/87/15/1066408715.db2.gz FNCQANWHNKUCKC-HNAYVOBHSA-N 0 0 453.576 4.993 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1OCC(C)C ZINC001444119734 1066408806 /nfs/dbraw/zinc/40/88/06/1066408806.db2.gz PAXNOAWXHJNMLA-QGZVFWFLSA-N 0 0 452.473 4.637 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCCOC2CCCCCC2)c1 ZINC001444118021 1066408839 /nfs/dbraw/zinc/40/88/39/1066408839.db2.gz GBCMJLMBEBBRBX-UHFFFAOYSA-N 0 0 456.608 4.895 20 0 JJADRN Cn1c(C(=O)NCc2c(F)cc(F)cc2F)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001455554413 1066409513 /nfs/dbraw/zinc/40/95/13/1066409513.db2.gz ZSBOASLEEIGDBT-LJQANCHMSA-N 0 0 451.489 4.835 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N(C)[C@H](C)c2ccccc2C)N2CCOCC2)o1 ZINC001361135367 1066409441 /nfs/dbraw/zinc/40/94/41/1066409441.db2.gz MMVIYHNAKFNNBJ-FYYLOGMGSA-N 0 0 451.615 4.882 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1 ZINC001361136555 1066410631 /nfs/dbraw/zinc/41/06/31/1066410631.db2.gz RCFQAUBKSWTMMT-HFZDXXHNSA-N 0 0 454.542 4.796 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC001361136512 1066410663 /nfs/dbraw/zinc/41/06/63/1066410663.db2.gz XPKLCEMWOZHMMU-OAQYLSRUSA-N 0 0 472.699 4.917 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](CC)C1)OC ZINC001545964609 1066410923 /nfs/dbraw/zinc/41/09/23/1066410923.db2.gz HOOJGUXIOWXLQO-GJZGRUSLSA-N 0 0 457.413 4.604 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)c3ccc(C)cc3)CC2)oc1C ZINC001361136804 1066411722 /nfs/dbraw/zinc/41/17/22/1066411722.db2.gz ZSHPGJWWSQDADK-HXUWFJFHSA-N 0 0 450.631 4.516 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)c2ccc(C)cc2)n1 ZINC001361137153 1066412267 /nfs/dbraw/zinc/41/22/67/1066412267.db2.gz XVMRANGKFBACRB-GOSISDBHSA-N 0 0 464.017 4.937 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001455569479 1066412473 /nfs/dbraw/zinc/41/24/73/1066412473.db2.gz LWRUCVDVKDQFCI-QESAQDPVSA-N 0 0 458.599 4.535 20 0 JJADRN O=C(NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001455586044 1066413091 /nfs/dbraw/zinc/41/30/91/1066413091.db2.gz QYXGEIDOAOYCPN-WMLDXEAASA-N 0 0 456.258 4.520 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1nc2c(cccc2Br)[nH]1 ZINC001455585231 1066413290 /nfs/dbraw/zinc/41/32/90/1066413290.db2.gz IZIRUVJECINHPK-UHFFFAOYSA-N 0 0 451.293 4.883 20 0 JJADRN CCN(C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)[C@@H](C)CS(=O)(=O)CC ZINC001444139371 1066413947 /nfs/dbraw/zinc/41/39/47/1066413947.db2.gz PAJWGRMNPCPZCA-AWEZNQCLSA-N 0 0 454.614 4.534 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001455619458 1066415805 /nfs/dbraw/zinc/41/58/05/1066415805.db2.gz RZLMKWLYACGHAK-SFHVURJKSA-N 0 0 455.530 4.593 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](CC)C1)Oc1ccccc1F ZINC001545965005 1066416118 /nfs/dbraw/zinc/41/61/18/1066416118.db2.gz OAKAQRXCODXLMO-YTQUADARSA-N 0 0 473.980 4.994 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001455620991 1066416585 /nfs/dbraw/zinc/41/65/85/1066416585.db2.gz RNFYRGRDCRFGMX-UHFFFAOYSA-N 0 0 457.317 4.923 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)c[nH]1 ZINC001455628722 1066417294 /nfs/dbraw/zinc/41/72/94/1066417294.db2.gz SRARDWDSRDMOJQ-UHFFFAOYSA-N 0 0 452.559 4.776 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001444151401 1066418774 /nfs/dbraw/zinc/41/87/74/1066418774.db2.gz DGOSOJWDPIFKRI-FUHWJXTLSA-N 0 0 456.352 4.759 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001444151399 1066418785 /nfs/dbraw/zinc/41/87/85/1066418785.db2.gz DGOSOJWDPIFKRI-AEFFLSMTSA-N 0 0 456.352 4.759 20 0 JJADRN C/C(=C\C(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cccs1 ZINC001455646842 1066419051 /nfs/dbraw/zinc/41/90/51/1066419051.db2.gz QPGCCMLZPWYZJJ-KNTRCKAVSA-N 0 0 455.624 4.521 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1c1ccccc1 ZINC001455646276 1066419088 /nfs/dbraw/zinc/41/90/88/1066419088.db2.gz CZDBPMXKJAAESW-QMHKHESXSA-N 0 0 456.514 4.989 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CCc2nc(-c3ccco3)no2)cc1 ZINC001361141104 1066419991 /nfs/dbraw/zinc/41/99/91/1066419991.db2.gz IUKBJLQJEHYBCU-UHFFFAOYSA-N 0 0 451.866 4.798 20 0 JJADRN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455651541 1066420191 /nfs/dbraw/zinc/42/01/91/1066420191.db2.gz YLUKTDIDSJCPEA-UHFFFAOYSA-N 0 0 450.848 4.623 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)c1 ZINC001444158121 1066420963 /nfs/dbraw/zinc/42/09/63/1066420963.db2.gz JMXTZZXUDARIQT-JGCGQSQUSA-N 0 0 450.560 4.780 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)ccc1Br)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001455652345 1066420958 /nfs/dbraw/zinc/42/09/58/1066420958.db2.gz VIIZPPRJWLTWBN-GOSISDBHSA-N 0 0 459.281 4.888 20 0 JJADRN CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)c1occc1CSc1ccccc1 ZINC001455670278 1066421821 /nfs/dbraw/zinc/42/18/21/1066421821.db2.gz AKDUPBWLDRGHIZ-INIZCTEOSA-N 0 0 450.486 4.875 20 0 JJADRN O=C(N1CCC[C@H](c2ncc(Br)cn2)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC001455670527 1066421857 /nfs/dbraw/zinc/42/18/57/1066421857.db2.gz WOIAFGDUIMFKCA-LBPRGKRZSA-N 0 0 455.183 4.984 20 0 JJADRN CCCOc1ccc(C(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c(OC(C)C)c1 ZINC001455669349 1066421919 /nfs/dbraw/zinc/42/19/19/1066421919.db2.gz BRUXWKUOAISMGS-QGZVFWFLSA-N 0 0 454.493 4.566 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC001444161601 1066421925 /nfs/dbraw/zinc/42/19/25/1066421925.db2.gz YNRIWUIANICRTN-UHFFFAOYSA-N 0 0 459.384 4.861 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1cc(C)ccc1C ZINC001444164589 1066423426 /nfs/dbraw/zinc/42/34/26/1066423426.db2.gz APYBGYQWUIBTQX-IBGZPJMESA-N 0 0 453.546 4.936 20 0 JJADRN Cc1ccc([C@H](Cn2c(N(C)C[C@@H](C)c3ccccc3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142351 1066423589 /nfs/dbraw/zinc/42/35/89/1066423589.db2.gz YDFPJRIKFIUHRR-OFNKIYASSA-N 0 0 465.642 4.790 20 0 JJADRN CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001455683082 1066424212 /nfs/dbraw/zinc/42/42/12/1066424212.db2.gz WHWYTRPYZOQOSS-LJQANCHMSA-N 0 0 450.505 4.949 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@@H]1c2ccccc2OC[C@H]1F)NC(=O)OC(C)(C)C ZINC001455705971 1066424875 /nfs/dbraw/zinc/42/48/75/1066424875.db2.gz HATNQXNEPDEIJR-DNVFCKCGSA-N 0 0 458.530 4.629 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455713442 1066425407 /nfs/dbraw/zinc/42/54/07/1066425407.db2.gz BQNHNZFUHQLWHE-BDJLRTHQSA-N 0 0 452.349 4.629 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2Cc3ccccc3OC3(CCC3)C2)c1 ZINC001455708630 1066425596 /nfs/dbraw/zinc/42/55/96/1066425596.db2.gz POOXPAIZDHISDU-QFIPXVFZSA-N 0 0 452.551 4.605 20 0 JJADRN Cc1nnc(COCC(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)s1 ZINC001361143801 1066425636 /nfs/dbraw/zinc/42/56/36/1066425636.db2.gz BDFGSBSSCSEQHQ-UHFFFAOYSA-N 0 0 455.971 4.638 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)CCOc1ccc(CCC(C)=O)cc1)CC2 ZINC001455714868 1066426074 /nfs/dbraw/zinc/42/60/74/1066426074.db2.gz FPGNSYZTVRZNDA-HHHXNRCGSA-N 0 0 451.563 4.530 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC001546075295 1066426117 /nfs/dbraw/zinc/42/61/17/1066426117.db2.gz LNFFTHBQVJJXIK-CCLHPLFOSA-N 0 0 463.626 4.786 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2CCNC(=O)c2cccs2)c1 ZINC001361144233 1066426329 /nfs/dbraw/zinc/42/63/29/1066426329.db2.gz FFEFDBYMNVJSOZ-IBGZPJMESA-N 0 0 479.606 4.756 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1coc(C2CCOCC2)n1 ZINC001361144333 1066426336 /nfs/dbraw/zinc/42/63/36/1066426336.db2.gz LQCJUWLQWQRURD-UHFFFAOYSA-N 0 0 456.926 4.610 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001444177040 1066426358 /nfs/dbraw/zinc/42/63/58/1066426358.db2.gz RFFJWJGWJKQAQS-INIZCTEOSA-N 0 0 459.937 4.972 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)CCc1cc(Br)cs1)CC2 ZINC001455717467 1066426815 /nfs/dbraw/zinc/42/68/15/1066426815.db2.gz SWFUBXFUHONWFS-NRFANRHFSA-N 0 0 450.398 4.996 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCCCO[C@H]2CCCc3ccccc32)c1 ZINC001444181212 1066427037 /nfs/dbraw/zinc/42/70/37/1066427037.db2.gz UZFDUPOFLJIOIC-QFIPXVFZSA-N 0 0 450.608 4.533 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)o1 ZINC001361145061 1066427376 /nfs/dbraw/zinc/42/73/76/1066427376.db2.gz YBYFBPBWRXYGOR-UITAMQMPSA-N 0 0 452.463 4.815 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145271 1066427396 /nfs/dbraw/zinc/42/73/96/1066427396.db2.gz SWLFYEOJJSTILC-UGKGYDQZSA-N 0 0 488.698 4.846 20 0 JJADRN COC(=O)CCc1ccc(O)c(NC(=O)CSc2cc(C)c(Br)cc2C)c1 ZINC001455725691 1066427508 /nfs/dbraw/zinc/42/75/08/1066427508.db2.gz UUUOPDSVTMIDRA-UHFFFAOYSA-N 0 0 452.370 4.608 20 0 JJADRN Cc1ccc(N2CC[C@H](NC(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001444203698 1066427958 /nfs/dbraw/zinc/42/79/58/1066427958.db2.gz BWINOWUAQXHCHE-FQEVSTJZSA-N 0 0 455.345 4.976 20 0 JJADRN Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC001455751226 1066428317 /nfs/dbraw/zinc/42/83/17/1066428317.db2.gz DTAMIFHVBZGOPZ-OAHLLOKOSA-N 0 0 458.349 4.550 20 0 JJADRN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001455763962 1066428404 /nfs/dbraw/zinc/42/84/04/1066428404.db2.gz BRYOAKSPFLXIPY-ZDUSSCGKSA-N 0 0 456.896 4.650 20 0 JJADRN O=C(Nc1cccc(C(=O)NC[C@@H](O)c2cncs2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001455736124 1066428414 /nfs/dbraw/zinc/42/84/14/1066428414.db2.gz GFRDZJCHTDVCCD-MRXNPFEDSA-N 0 0 451.335 4.557 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361145576 1066428729 /nfs/dbraw/zinc/42/87/29/1066428729.db2.gz BHKQWLAGPRDCKD-UHFFFAOYSA-N 0 0 494.640 4.809 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)ccc2C)n1CCCC1CCOCC1 ZINC001361145647 1066428875 /nfs/dbraw/zinc/42/88/75/1066428875.db2.gz DYMSMMHOHJKNST-UHFFFAOYSA-N 0 0 480.657 4.667 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 ZINC001444208736 1066428997 /nfs/dbraw/zinc/42/89/97/1066428997.db2.gz KMMXLDJDIINQFI-WIVVBHTDSA-N 0 0 455.020 4.534 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546075918 1066429104 /nfs/dbraw/zinc/42/91/04/1066429104.db2.gz XZVSGOOCEDRPPK-FLPMJASOSA-N 0 0 488.702 4.906 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546075919 1066429201 /nfs/dbraw/zinc/42/92/01/1066429201.db2.gz XZVSGOOCEDRPPK-HUJREVKFSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCOc2ncccc2Cl)c1 ZINC001361145662 1066429568 /nfs/dbraw/zinc/42/95/68/1066429568.db2.gz FNTVTTWZRIKOHA-GOSISDBHSA-N 0 0 474.030 4.543 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)C)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001361145725 1066429662 /nfs/dbraw/zinc/42/96/62/1066429662.db2.gz HLPRHATXMTYJQW-UHFFFAOYSA-N 0 0 459.635 4.871 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361145908 1066430149 /nfs/dbraw/zinc/43/01/49/1066430149.db2.gz MJBBYYCOTVRKPB-HXUWFJFHSA-N 0 0 489.686 4.673 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ncccc3C)C(C)C)cc2)c1 ZINC001444212368 1066430081 /nfs/dbraw/zinc/43/00/81/1066430081.db2.gz UAFCPZYEFRHUNO-QHCPKHFHSA-N 0 0 451.592 4.935 20 0 JJADRN Cc1nc2ccccc2n1CC(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1 ZINC001455791216 1066431675 /nfs/dbraw/zinc/43/16/75/1066431675.db2.gz HAJMUCRQHSPOMZ-UHFFFAOYSA-N 0 0 456.974 4.552 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H]2CC=CCC2)c1 ZINC001361146031 1066431774 /nfs/dbraw/zinc/43/17/74/1066431774.db2.gz PIAGVNPHELYGEN-DEOSSOPVSA-N 0 0 481.685 4.625 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361146144 1066431785 /nfs/dbraw/zinc/43/17/85/1066431785.db2.gz UEVCJAPOTPLOOQ-KBMIEXCESA-N 0 0 470.017 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@](C)(O)C(C)C)c1 ZINC001361146110 1066431809 /nfs/dbraw/zinc/43/18/09/1066431809.db2.gz SDCYDEFKHRIHAG-DEOSSOPVSA-N 0 0 458.006 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361146248 1066432230 /nfs/dbraw/zinc/43/22/30/1066432230.db2.gz XMYGTAJLRPMGMG-MQSCRBSSSA-N 0 0 470.658 4.929 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545966275 1066432211 /nfs/dbraw/zinc/43/22/11/1066432211.db2.gz BFOJYARXESLRDK-LJQANCHMSA-N 0 0 485.629 4.646 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1 ZINC001444239055 1066432385 /nfs/dbraw/zinc/43/23/85/1066432385.db2.gz LQJUILMGXJTOTJ-INIZCTEOSA-N 0 0 457.397 4.966 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCSC3)n2CCSCC(F)(F)F)c1 ZINC001361146253 1066432336 /nfs/dbraw/zinc/43/23/36/1066432336.db2.gz XOORTOUABJXXKE-INIZCTEOSA-N 0 0 460.591 4.711 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CCc2nccs2)c1 ZINC001361146211 1066432374 /nfs/dbraw/zinc/43/23/74/1066432374.db2.gz WDIPJJWSSIIXNR-SFHVURJKSA-N 0 0 468.652 4.870 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCSCC(F)(F)F)c1 ZINC001361146254 1066432416 /nfs/dbraw/zinc/43/24/16/1066432416.db2.gz XOORTOUABJXXKE-MRXNPFEDSA-N 0 0 460.591 4.711 20 0 JJADRN COc1cc(/C=C(/C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)ccc1O ZINC001444243566 1066432949 /nfs/dbraw/zinc/43/29/49/1066432949.db2.gz VLBDJJYIKLNVSL-SXZORUHJSA-N 0 0 454.567 4.561 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001444243209 1066432980 /nfs/dbraw/zinc/43/29/80/1066432980.db2.gz TXUBEFNKSATGQD-MRXNPFEDSA-N 0 0 457.546 4.619 20 0 JJADRN COc1cc(/C=C(\C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)ccc1O ZINC001444243563 1066432988 /nfs/dbraw/zinc/43/29/88/1066432988.db2.gz VLBDJJYIKLNVSL-SBGXLDQMSA-N 0 0 454.567 4.561 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCC[C@H]3CCOC3)cc2)c1C ZINC001546076270 1066432867 /nfs/dbraw/zinc/43/28/67/1066432867.db2.gz JZGLJEZDTGYRRW-IBGZPJMESA-N 0 0 458.624 4.558 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1(C)C ZINC001455796566 1066432926 /nfs/dbraw/zinc/43/29/26/1066432926.db2.gz FARLLLKXSAJPMU-SFHVURJKSA-N 0 0 451.995 4.822 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1(C)C ZINC001455798073 1066432989 /nfs/dbraw/zinc/43/29/89/1066432989.db2.gz KATLAYHJAPCDFW-OAQYLSRUSA-N 0 0 454.615 4.846 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2ccon2)s1 ZINC001361148179 1066433591 /nfs/dbraw/zinc/43/35/91/1066433591.db2.gz CNNPSVGFSIIZOZ-KRWDZBQOSA-N 0 0 452.584 4.667 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)Cc2nc(C3CCCCC3)cs2)C1 ZINC001455803390 1066433877 /nfs/dbraw/zinc/43/38/77/1066433877.db2.gz GFHQZXSPCDJMAN-INIZCTEOSA-N 0 0 457.587 4.742 20 0 JJADRN Cc1cc(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)nn1C1CCOCC1 ZINC001444246916 1066433867 /nfs/dbraw/zinc/43/38/67/1066433867.db2.gz GFEWOKYUIUWSOG-UHFFFAOYSA-N 0 0 452.382 4.781 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001444247151 1066433918 /nfs/dbraw/zinc/43/39/18/1066433918.db2.gz IELWTZQWAUIZDT-URVUXULASA-N 0 0 458.647 4.693 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361148285 1066434208 /nfs/dbraw/zinc/43/42/08/1066434208.db2.gz GFNQZRFRLIQHFK-JOCHJYFZSA-N 0 0 483.657 4.967 20 0 JJADRN Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001444248858 1066434362 /nfs/dbraw/zinc/43/43/62/1066434362.db2.gz PAKNFPVVLCHJTO-HSZRJFAPSA-N 0 0 452.551 4.782 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361148278 1066434373 /nfs/dbraw/zinc/43/43/73/1066434373.db2.gz GCNTXXQNJPNGDW-SQJMNOBHSA-N 0 0 478.641 4.742 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cccs1 ZINC001361148370 1066434407 /nfs/dbraw/zinc/43/44/07/1066434407.db2.gz IMZDACVEUJFAMK-UHFFFAOYSA-N 0 0 450.612 4.836 20 0 JJADRN Cc1ccc([C@H](NC(=O)CNc2cccc(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444247334 1066434544 /nfs/dbraw/zinc/43/45/44/1066434544.db2.gz KGUHMXOHCPOIRN-XMMPIXPASA-N 0 0 456.995 4.678 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)C1 ZINC001455808942 1066435406 /nfs/dbraw/zinc/43/54/06/1066435406.db2.gz OJWKIIMRBTXJQO-JXFKEZNVSA-N 0 0 452.526 4.579 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)c(Br)c1 ZINC001444254827 1066435916 /nfs/dbraw/zinc/43/59/16/1066435916.db2.gz CTROOFNESCRQNB-SFHVURJKSA-N 0 0 457.384 4.801 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)CN(C)c3ccc(C(F)(F)F)cc3C=O)cn2)cc1 ZINC001444255157 1066435949 /nfs/dbraw/zinc/43/59/49/1066435949.db2.gz IYAAGZBONKFLGB-UHFFFAOYSA-N 0 0 459.424 4.789 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2(O)CCCCC2)c1 ZINC001361148621 1066435897 /nfs/dbraw/zinc/43/58/97/1066435897.db2.gz PZWCYJKPKXKROZ-UHFFFAOYSA-N 0 0 478.641 4.719 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)c2ccccc2Cl)c1 ZINC001444255967 1066436869 /nfs/dbraw/zinc/43/68/69/1066436869.db2.gz BWQHYGQHMVMDBA-QFIPXVFZSA-N 0 0 453.901 4.537 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001361148776 1066437367 /nfs/dbraw/zinc/43/73/67/1066437367.db2.gz WDZYRYQVBKFIDR-AZUAARDMSA-N 0 0 455.628 4.515 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl ZINC001455818447 1066437617 /nfs/dbraw/zinc/43/76/17/1066437617.db2.gz SKJSVTIXGQVLSN-QGZVFWFLSA-N 0 0 451.281 4.610 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ccc(F)c(Br)c1)C2 ZINC001455820529 1066438324 /nfs/dbraw/zinc/43/83/24/1066438324.db2.gz CPFIHXFMBIXZOV-OAQYLSRUSA-N 0 0 455.368 4.842 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@@H](c3c(F)cccc3F)N(C)C)c2)n1 ZINC001444263616 1066438422 /nfs/dbraw/zinc/43/84/22/1066438422.db2.gz PYTLYCJPMLHWSH-FQEVSTJZSA-N 0 0 459.928 4.801 20 0 JJADRN CC(C)c1cnc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001444264590 1066438473 /nfs/dbraw/zinc/43/84/73/1066438473.db2.gz IUARWLWFIGXGAD-GASCZTMLSA-N 0 0 457.625 4.554 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001361149100 1066438729 /nfs/dbraw/zinc/43/87/29/1066438729.db2.gz INVGYYKXIXEDMU-JGCGQSQUSA-N 0 0 458.672 4.790 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(OCC2CC2)c1 ZINC001455824181 1066438845 /nfs/dbraw/zinc/43/88/45/1066438845.db2.gz LEUMDQSANCRGTK-SANMLTNESA-N 0 0 458.599 4.737 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001361149234 1066439509 /nfs/dbraw/zinc/43/95/09/1066439509.db2.gz NEZKHSUPTUFRBP-UHFFFAOYSA-N 0 0 486.686 4.923 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2CC[C@H]2COCCO2)c1 ZINC001361149267 1066439519 /nfs/dbraw/zinc/43/95/19/1066439519.db2.gz OYKVCFGDTRGIDN-QHCPKHFHSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 ZINC001361149467 1066439991 /nfs/dbraw/zinc/43/99/91/1066439991.db2.gz UZOMKRRQHXNUJG-JOCHJYFZSA-N 0 0 488.698 4.704 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)c1cccc2ccccc21 ZINC001455837528 1066440417 /nfs/dbraw/zinc/44/04/17/1066440417.db2.gz HDHHGLLEQPMSHS-JOCHJYFZSA-N 0 0 451.320 4.657 20 0 JJADRN CC(C)n1c2ccc(C(=O)NC[C@H](c3c(F)cccc3F)N(C)C)cc2nc1C(F)(F)F ZINC001444269492 1066440472 /nfs/dbraw/zinc/44/04/72/1066440472.db2.gz YCSOMPWRKDQVIW-GOSISDBHSA-N 0 0 454.443 4.947 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cccc(Cn2cncn2)c1 ZINC001361150054 1066440866 /nfs/dbraw/zinc/44/08/66/1066440866.db2.gz RHKKMVISKOQVEK-UHFFFAOYSA-N 0 0 453.384 4.721 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC)NC(=O)OC(C)(C)C ZINC001545966549 1066441132 /nfs/dbraw/zinc/44/11/32/1066441132.db2.gz GMXYMFXTEMENEK-LJQANCHMSA-N 0 0 484.670 4.986 20 0 JJADRN O=C(N[C@@H](CCO)C(F)(F)F)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001455850790 1066441220 /nfs/dbraw/zinc/44/12/20/1066441220.db2.gz VVLZCALRWJHZOL-SFHVURJKSA-N 0 0 453.258 4.707 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)n1 ZINC001444272697 1066441333 /nfs/dbraw/zinc/44/13/33/1066441333.db2.gz JLUZJQVCNNPZPS-GUIXVQPWSA-N 0 0 456.590 4.618 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361151073 1066441428 /nfs/dbraw/zinc/44/14/28/1066441428.db2.gz BHJOYFLGSCBMHK-JROBLHLSSA-N 0 0 496.574 4.691 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCC(C)C)c1 ZINC001361151281 1066441988 /nfs/dbraw/zinc/44/19/88/1066441988.db2.gz GNJZDUGIZXTMLN-UHFFFAOYSA-N 0 0 452.521 4.868 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)n1 ZINC001444272748 1066442145 /nfs/dbraw/zinc/44/21/45/1066442145.db2.gz JLUZJQVCNNPZPS-UNJYKCMZSA-N 0 0 456.590 4.618 20 0 JJADRN C[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(C)(C)C ZINC001455853983 1066442111 /nfs/dbraw/zinc/44/21/11/1066442111.db2.gz MHYOWIAMWMPXRO-CQSZACIVSA-N 0 0 453.402 4.662 20 0 JJADRN O=C(c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455863784 1066442714 /nfs/dbraw/zinc/44/27/14/1066442714.db2.gz CGLZLEHZGYMRQB-XOBRGWDASA-N 0 0 474.451 4.570 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)C12CCCCC2 ZINC001444285451 1066443380 /nfs/dbraw/zinc/44/33/80/1066443380.db2.gz MGLIDCZRONERDL-DNQXCXABSA-N 0 0 455.643 4.886 20 0 JJADRN CO[C@H](C)CN(C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001444291810 1066443877 /nfs/dbraw/zinc/44/38/77/1066443877.db2.gz GFHZKHFMBPSFIB-CVEARBPZSA-N 0 0 459.637 4.958 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H]2CCC=CO2)c1 ZINC001361151689 1066443952 /nfs/dbraw/zinc/44/39/52/1066443952.db2.gz DPRUPNGXCIPMBD-GBXCKJPGSA-N 0 0 494.558 4.696 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)o2)cc1 ZINC001455872650 1066443984 /nfs/dbraw/zinc/44/39/84/1066443984.db2.gz JKCDWKJEHDEMMP-IAGOWNOFSA-N 0 0 466.456 4.677 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)c2nccs2)c1 ZINC001361151998 1066444642 /nfs/dbraw/zinc/44/46/42/1066444642.db2.gz NYURQUQAWRZUIX-AOIWGVFYSA-N 0 0 495.571 4.890 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)C[C@H]1C(F)(F)F ZINC001455875562 1066444748 /nfs/dbraw/zinc/44/47/48/1066444748.db2.gz FRBTZGUVCLIDSE-PDPNLBHKSA-N 0 0 452.448 4.906 20 0 JJADRN O=C(Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(O)c1)c1cc(F)cc(F)c1 ZINC001455874711 1066444761 /nfs/dbraw/zinc/44/47/61/1066444761.db2.gz VNIZJZVXRXNAEA-ZSEKCTLFSA-N 0 0 454.395 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)c2ccccc21 ZINC001444301476 1066445405 /nfs/dbraw/zinc/44/54/05/1066445405.db2.gz HDSWGQHZKLLEFL-JOCHJYFZSA-N 0 0 452.551 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)c2ccccc21 ZINC001444301477 1066445438 /nfs/dbraw/zinc/44/54/38/1066445438.db2.gz HDSWGQHZKLLEFL-QFIPXVFZSA-N 0 0 452.551 4.969 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCCCC2 ZINC001444311747 1066446054 /nfs/dbraw/zinc/44/60/54/1066446054.db2.gz SGJZNGCKWIRZTE-JLLPCOHGSA-N 0 0 470.654 4.956 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc2ccccc21 ZINC001455885782 1066446195 /nfs/dbraw/zinc/44/61/95/1066446195.db2.gz FUSWMIOVEWZHQG-JOCHJYFZSA-N 0 0 459.575 4.580 20 0 JJADRN Cc1c(I)cccc1C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001455887443 1066446232 /nfs/dbraw/zinc/44/62/32/1066446232.db2.gz SNIBNNTWHHYJRF-ZDUSSCGKSA-N 0 0 452.361 4.565 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)C12CCCCC2 ZINC001444314337 1066446644 /nfs/dbraw/zinc/44/66/44/1066446644.db2.gz XPNFGSFPRQBGRX-RTBURBONSA-N 0 0 450.505 4.511 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@@H](C(C)(C)C)C2)n1 ZINC001361152805 1066447319 /nfs/dbraw/zinc/44/73/19/1066447319.db2.gz RHLWNKRMPYQFJJ-HXUWFJFHSA-N 0 0 452.603 4.671 20 0 JJADRN CCCN(C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444317074 1066447373 /nfs/dbraw/zinc/44/73/73/1066447373.db2.gz ACTDRCDWVBNIEO-VXKWHMMOSA-N 0 0 451.567 4.630 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)C)C3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001361153006 1066447772 /nfs/dbraw/zinc/44/77/72/1066447772.db2.gz UEXODMJQGKREPJ-NRFANRHFSA-N 0 0 471.646 4.871 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1ccc(NCC2CC2)nc1 ZINC001444320835 1066447852 /nfs/dbraw/zinc/44/78/52/1066447852.db2.gz NLZITPGUFPOGLE-PKTZIBPZSA-N 0 0 450.583 4.555 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001444320833 1066447928 /nfs/dbraw/zinc/44/79/28/1066447928.db2.gz NLZITPGUFPOGLE-DHIUTWEWSA-N 0 0 450.583 4.555 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)nn(C)c2Sc2ccccc2)cc1 ZINC001444318640 1066448032 /nfs/dbraw/zinc/44/80/32/1066448032.db2.gz IKWAJTMUXXMXAW-UHFFFAOYSA-N 0 0 458.609 4.674 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001546077386 1066448011 /nfs/dbraw/zinc/44/80/11/1066448011.db2.gz NJXBNCHJFWDLSG-RLWLMLJZSA-N 0 0 488.698 4.883 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361153127 1066448621 /nfs/dbraw/zinc/44/86/21/1066448621.db2.gz VHCUAXVXXWMOAE-RGELYXPASA-N 0 0 493.574 4.544 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2nccnc2SCc2ccccc2)cc1 ZINC001444324908 1066448686 /nfs/dbraw/zinc/44/86/86/1066448686.db2.gz UANDIQGGFFYTKA-UHFFFAOYSA-N 0 0 456.593 4.563 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)OC ZINC001545966761 1066448736 /nfs/dbraw/zinc/44/87/36/1066448736.db2.gz KBPYRZBNYAXKQC-UYAOXDASSA-N 0 0 490.574 4.629 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)c(OC)c2)C1 ZINC001546077411 1066448739 /nfs/dbraw/zinc/44/87/39/1066448739.db2.gz NZZYEBSFLGJXHI-HSZRJFAPSA-N 0 0 474.030 4.606 20 0 JJADRN O=C(N[C@@H](CO)CCc1ccccc1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001455907225 1066448767 /nfs/dbraw/zinc/44/87/67/1066448767.db2.gz DGYYYXGVLJBAPS-GGAORHGYSA-N 0 0 454.364 4.679 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1cc(Br)c2ccccc2c1 ZINC001455903822 1066448787 /nfs/dbraw/zinc/44/87/87/1066448787.db2.gz NJCGAFSIRBBWQS-ACCUITESSA-N 0 0 459.365 4.521 20 0 JJADRN CSC[C@H](C)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC001444327633 1066450063 /nfs/dbraw/zinc/45/00/63/1066450063.db2.gz VTLWBJRFOBHBIE-INIZCTEOSA-N 0 0 450.560 4.800 20 0 JJADRN CCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444327098 1066450088 /nfs/dbraw/zinc/45/00/88/1066450088.db2.gz LKQDCJXHGLJOCW-RTWAWAEBSA-N 0 0 457.640 4.935 20 0 JJADRN O=C(Cc1ccccc1N1CCCC1=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001361153695 1066450273 /nfs/dbraw/zinc/45/02/73/1066450273.db2.gz NSYKIBSGMJOZFS-LJQANCHMSA-N 0 0 456.258 4.965 20 0 JJADRN CC(C)COc1ccc([C@@H](C)OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC001361153580 1066450329 /nfs/dbraw/zinc/45/03/29/1066450329.db2.gz JTACBXOQNHZFNP-XLIONFOSSA-N 0 0 451.610 4.631 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC001455914514 1066450321 /nfs/dbraw/zinc/45/03/21/1066450321.db2.gz XFGMWORICAYKBV-UHFFFAOYSA-N 0 0 457.384 4.948 20 0 JJADRN Cn1ccc([C@H]2CCCN(C(=O)c3cccnc3Sc3ccc(Br)cc3)C2)n1 ZINC001455913984 1066450452 /nfs/dbraw/zinc/45/04/52/1066450452.db2.gz QXWPQQAUHMXQAG-HNNXBMFYSA-N 0 0 457.397 4.749 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC(C(=O)OC(C)C)CC3)cc12 ZINC001455913781 1066450488 /nfs/dbraw/zinc/45/04/88/1066450488.db2.gz CHIYDANNZVUHLE-UHFFFAOYSA-N 0 0 459.999 4.912 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC001444331688 1066450483 /nfs/dbraw/zinc/45/04/83/1066450483.db2.gz YCXVEHACUALCCZ-AWEZNQCLSA-N 0 0 454.987 4.695 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)N[C@H](COCc1ccccc1)c1ccccc1 ZINC001444339730 1066451155 /nfs/dbraw/zinc/45/11/55/1066451155.db2.gz NBZMYISYPNHYBS-XMMPIXPASA-N 0 0 459.542 4.885 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCSCC(C)C)c1 ZINC001361154502 1066451201 /nfs/dbraw/zinc/45/12/01/1066451201.db2.gz AYTFOPLZNXFCAI-UHFFFAOYSA-N 0 0 486.604 4.757 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361154766 1066451718 /nfs/dbraw/zinc/45/17/18/1066451718.db2.gz GDEWNSPMMKWMJQ-NRFANRHFSA-N 0 0 499.725 4.747 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2CC2=CCCOC2)c1 ZINC001361154673 1066451830 /nfs/dbraw/zinc/45/18/30/1066451830.db2.gz DHHJVSHWNUTTRE-UHFFFAOYSA-N 0 0 468.642 4.852 20 0 JJADRN C[C@]1(Cc2ccccc2)SCCN1C(=O)c1cc(Br)ncc1Br ZINC001455927567 1066452540 /nfs/dbraw/zinc/45/25/40/1066452540.db2.gz WOVGKEVOBRVUTL-QGZVFWFLSA-N 0 0 456.203 4.755 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cn4ccnn4)CC3)n2CCCC(C)(C)C)c1 ZINC001361155048 1066452579 /nfs/dbraw/zinc/45/25/79/1066452579.db2.gz JSDLLKFNIQSOQH-UHFFFAOYSA-N 0 0 465.646 4.808 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCn2cccn2)c1 ZINC001361155228 1066452904 /nfs/dbraw/zinc/45/29/04/1066452904.db2.gz QCHNHBKMUVQIFF-UHFFFAOYSA-N 0 0 461.397 4.660 20 0 JJADRN O=C(NCCNc1nccc(C(F)(F)F)n1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001444349458 1066453219 /nfs/dbraw/zinc/45/32/19/1066453219.db2.gz PMZJFSNALCYLSW-SFHVURJKSA-N 0 0 450.461 4.696 20 0 JJADRN CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC001455935548 1066455139 /nfs/dbraw/zinc/45/51/39/1066455139.db2.gz VBJHKUINJZGQGE-UHFFFAOYSA-N 0 0 459.329 4.922 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@]4(C3)CCCOC4)n2CCCC(F)(F)F)c1 ZINC001361155604 1066455229 /nfs/dbraw/zinc/45/52/29/1066455229.db2.gz DXJGMJLDRBGLDC-JOCHJYFZSA-N 0 0 452.521 4.823 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)c2ccc(OC)cc2)C1 ZINC001546077730 1066455277 /nfs/dbraw/zinc/45/52/77/1066455277.db2.gz UTSQLPDYFTXHRN-BCHFMIIMSA-N 0 0 450.631 4.969 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001545966771 1066455942 /nfs/dbraw/zinc/45/59/42/1066455942.db2.gz KGDQTNKWICSXPT-MRXNPFEDSA-N 0 0 495.443 4.848 20 0 JJADRN CCc1c(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)nnn1-c1cccc(Cl)c1 ZINC001444385594 1066456612 /nfs/dbraw/zinc/45/66/12/1066456612.db2.gz JZWOFZXLRIHCFB-UHFFFAOYSA-N 0 0 451.983 4.888 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cnn2cc(C)cnc12 ZINC001444391072 1066456645 /nfs/dbraw/zinc/45/66/45/1066456645.db2.gz MFDHLOJHNXLPMW-GFCCVEGCSA-N 0 0 456.369 4.723 20 0 JJADRN Cc1c(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cccc1OCC(F)(F)F ZINC001455943375 1066456782 /nfs/dbraw/zinc/45/67/82/1066456782.db2.gz URNXSPKNEPXRMO-UHFFFAOYSA-N 0 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COC(=O)c1cc(NC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)ccc1SC ZINC001455948752 1066458208 /nfs/dbraw/zinc/45/82/08/1066458208.db2.gz ISMPVVCWSCGDIP-UHFFFAOYSA-N 0 0 450.601 4.999 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361156442 1066458788 /nfs/dbraw/zinc/45/87/88/1066458788.db2.gz VPMRNKKYHHPTDV-OAQYLSRUSA-N 0 0 455.647 4.651 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001361156391 1066458893 /nfs/dbraw/zinc/45/88/93/1066458893.db2.gz UKZYIGCRYWGCTB-QFIPXVFZSA-N 0 0 495.693 4.828 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC[C@@H]2CCOC2)c1 ZINC001361156402 1066458921 /nfs/dbraw/zinc/45/89/21/1066458921.db2.gz USFKMUPQUACCSA-LEWJYISDSA-N 0 0 496.574 4.696 20 0 JJADRN Cc1ccc(NC(=O)c2c3c(sc2-n2cccc2)CCC3)cc1S(=O)(=O)NC(C)(C)C ZINC001444403952 1066458983 /nfs/dbraw/zinc/45/89/83/1066458983.db2.gz CUDWYCLDMDLLAN-UHFFFAOYSA-N 0 0 457.621 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)CCOc1ccc(Cl)cc1)C(F)(F)F ZINC001455953373 1066459465 /nfs/dbraw/zinc/45/94/65/1066459465.db2.gz LQNDKZAEULGUDI-IBGZPJMESA-N 0 0 450.885 4.557 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1C ZINC001455953491 1066459479 /nfs/dbraw/zinc/45/94/79/1066459479.db2.gz MBNQZPIHXZURBL-QFIPXVFZSA-N 0 0 456.505 4.715 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1 ZINC001455956821 1066459884 /nfs/dbraw/zinc/45/98/84/1066459884.db2.gz PQAACWOGCBQXCV-JOCHJYFZSA-N 0 0 453.384 4.778 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001444408822 1066460167 /nfs/dbraw/zinc/46/01/67/1066460167.db2.gz YAARBZDVVGKZGW-UHFFFAOYSA-N 0 0 456.409 4.828 20 0 JJADRN O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001361157857 1066460490 /nfs/dbraw/zinc/46/04/90/1066460490.db2.gz XCTKJOVGTLZKQU-GOSISDBHSA-N 0 0 459.342 4.815 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)ccc2c1 ZINC001455959827 1066460666 /nfs/dbraw/zinc/46/06/66/1066460666.db2.gz KAPSOTLESIRMDZ-INIZCTEOSA-N 0 0 454.929 4.729 20 0 JJADRN CC(C)n1c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2nc1C(F)(F)F ZINC001361158263 1066461267 /nfs/dbraw/zinc/46/12/67/1066461267.db2.gz PBEBEHARLHDMCT-HNNXBMFYSA-N 0 0 454.493 4.717 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccon3)cc2)c1C ZINC001444422777 1066461170 /nfs/dbraw/zinc/46/11/70/1066461170.db2.gz JORPSTPJRCPKFS-UHFFFAOYSA-N 0 0 455.580 4.662 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC001444433175 1066461451 /nfs/dbraw/zinc/46/14/51/1066461451.db2.gz BLFBRHTYNFUWDP-LLVKDONJSA-N 0 0 454.297 4.749 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001444435221 1066461680 /nfs/dbraw/zinc/46/16/80/1066461680.db2.gz GCFZEDBVIFQOFS-MHECFPHRSA-N 0 0 455.514 4.699 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361158764 1066461922 /nfs/dbraw/zinc/46/19/22/1066461922.db2.gz GHZCFAOHACNMMQ-OAQYLSRUSA-N 0 0 499.725 4.700 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2nc(C(C)(C)C)ns2)s1 ZINC001455965444 1066462409 /nfs/dbraw/zinc/46/24/09/1066462409.db2.gz MRWVBKWHJBEFTO-UHFFFAOYSA-N 0 0 453.387 4.983 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC001455965973 1066462547 /nfs/dbraw/zinc/46/25/47/1066462547.db2.gz VHONNIOGOBTFBW-UHFFFAOYSA-N 0 0 450.941 4.863 20 0 JJADRN O=C(NCc1cccc(N2CC=CC2)c1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001444456411 1066462463 /nfs/dbraw/zinc/46/24/63/1066462463.db2.gz UVTQIPMVWXIMMA-UHFFFAOYSA-N 0 0 450.336 4.943 20 0 JJADRN O=C(COc1ccccc1F)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC001455965871 1066462619 /nfs/dbraw/zinc/46/26/19/1066462619.db2.gz UXGOOYLWNPHEGQ-UHFFFAOYSA-N 0 0 459.267 4.930 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCCCCC2)c(C)o1 ZINC001361159010 1066463153 /nfs/dbraw/zinc/46/31/53/1066463153.db2.gz MDYWLVMKYJITDU-AREMUKBSSA-N 0 0 452.599 4.972 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001455967519 1066463165 /nfs/dbraw/zinc/46/31/65/1066463165.db2.gz IHNJEPCTBDFZPN-IAQYHMDHSA-N 0 0 459.292 4.643 20 0 JJADRN Cc1cc(OCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1Br ZINC001455968721 1066463278 /nfs/dbraw/zinc/46/32/78/1066463278.db2.gz CRIVCDQVOJONJB-IBGZPJMESA-N 0 0 456.340 4.940 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H]3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361159059 1066463306 /nfs/dbraw/zinc/46/33/06/1066463306.db2.gz NKWSZSLECCSOJK-NHCUHLMSSA-N 0 0 469.630 4.862 20 0 JJADRN Cn1c(CNC(=O)c2ccccc2OCc2ccccc2Br)nc2ccccc21 ZINC001455968870 1066463929 /nfs/dbraw/zinc/46/39/29/1066463929.db2.gz OBMZMMIPZCXUMV-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN COc1cc(CCNC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1C ZINC001444475088 1066463891 /nfs/dbraw/zinc/46/38/91/1066463891.db2.gz FCHYYHKJSWSDLZ-NRFANRHFSA-N 0 0 455.599 4.777 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967313 1066463928 /nfs/dbraw/zinc/46/39/28/1066463928.db2.gz VNZOVXWXBRGXKR-UYAOXDASSA-N 0 0 494.640 4.800 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC2CCCCC2)c1 ZINC001361159431 1066464015 /nfs/dbraw/zinc/46/40/15/1066464015.db2.gz YVFOPOLAOFDVLZ-UHFFFAOYSA-N 0 0 467.658 4.749 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc(OCc2cccnc2)c(OC)c1 ZINC001444471112 1066464075 /nfs/dbraw/zinc/46/40/75/1066464075.db2.gz USFHYMAMQBITEL-GOSISDBHSA-N 0 0 459.550 4.623 20 0 JJADRN CC[C@@H]1C[C@@H](CC(=O)Nc2cc(I)ccc2Br)CCO1 ZINC001455972896 1066464477 /nfs/dbraw/zinc/46/44/77/1066464477.db2.gz VXAVRKAEGOSMTF-CMPLNLGQSA-N 0 0 452.130 4.588 20 0 JJADRN CCOc1ccc(N(C(=O)CSCC(F)(F)F)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001455973013 1066464509 /nfs/dbraw/zinc/46/45/09/1066464509.db2.gz PZNOJCGBCHTGBZ-UHFFFAOYSA-N 0 0 458.468 4.741 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CC=CCC2)c1 ZINC001361159543 1066464603 /nfs/dbraw/zinc/46/46/03/1066464603.db2.gz BVDCGWALMAYBHE-HXUWFJFHSA-N 0 0 495.565 4.853 20 0 JJADRN CON(Cc1ccc(C)o1)C(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001455976393 1066465139 /nfs/dbraw/zinc/46/51/39/1066465139.db2.gz LXSRDLVSCXNOSO-UHFFFAOYSA-N 0 0 455.561 4.789 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001361159849 1066465137 /nfs/dbraw/zinc/46/51/37/1066465137.db2.gz MKRRGVJWAOMNEI-UHFFFAOYSA-N 0 0 493.599 4.771 20 0 JJADRN Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC001444481984 1066465790 /nfs/dbraw/zinc/46/57/90/1066465790.db2.gz BJBVTPSZYNQVLW-DEOSSOPVSA-N 0 0 452.576 4.824 20 0 JJADRN COc1cc(CCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C ZINC001444486175 1066465824 /nfs/dbraw/zinc/46/58/24/1066465824.db2.gz RCBBEVYBCFDIBR-UHFFFAOYSA-N 0 0 459.612 4.547 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001455980361 1066465804 /nfs/dbraw/zinc/46/58/04/1066465804.db2.gz HIEPXTLHTBOVJQ-UHFFFAOYSA-N 0 0 456.641 4.941 20 0 JJADRN Cc1cc(I)cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001455982608 1066466604 /nfs/dbraw/zinc/46/66/04/1066466604.db2.gz GIAZSIGZCAQTTM-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001444493254 1066466858 /nfs/dbraw/zinc/46/68/58/1066466858.db2.gz WQHGDQAKRCUUER-OAHLLOKOSA-N 0 0 450.392 4.738 20 0 JJADRN CC(C)(C)c1cc(NC(=O)c2cc(Cl)c(F)cc2Br)n(-c2ncccn2)n1 ZINC001455987320 1066467211 /nfs/dbraw/zinc/46/72/11/1066467211.db2.gz VUPPYXPPJYPKTN-UHFFFAOYSA-N 0 0 452.715 4.767 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)s1 ZINC001444496464 1066467503 /nfs/dbraw/zinc/46/75/03/1066467503.db2.gz ASYIQXAZAYCUJH-UTKZUKDTSA-N 0 0 451.592 4.800 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493875 1066467653 /nfs/dbraw/zinc/46/76/53/1066467653.db2.gz ZDCDLQJZRVFXEJ-HOCLYGCPSA-N 0 0 451.336 4.894 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cc(OC)c1OCc1ccccc1 ZINC001361161610 1066467811 /nfs/dbraw/zinc/46/78/11/1066467811.db2.gz RWCKLSCUMHPZPV-IBGZPJMESA-N 0 0 457.530 4.960 20 0 JJADRN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)c1C ZINC001444497901 1066468266 /nfs/dbraw/zinc/46/82/66/1066468266.db2.gz DXYIMUVLZDIQCW-QHCPKHFHSA-N 0 0 454.617 4.821 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@]2(C)CCCS2)c1 ZINC001361162024 1066468418 /nfs/dbraw/zinc/46/84/18/1066468418.db2.gz GCVUZIMTZMYAOP-GHTZIAJQSA-N 0 0 470.561 4.527 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001361161930 1066468437 /nfs/dbraw/zinc/46/84/37/1066468437.db2.gz CRYNPBKVHQZARE-JXFKEZNVSA-N 0 0 493.530 4.650 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)c1 ZINC001455991799 1066468422 /nfs/dbraw/zinc/46/84/22/1066468422.db2.gz QQICZZXDKYOJJJ-GOSISDBHSA-N 0 0 452.624 4.886 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001455991661 1066468441 /nfs/dbraw/zinc/46/84/41/1066468441.db2.gz NJRKHSIQBLPIGD-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001455990196 1066468504 /nfs/dbraw/zinc/46/85/04/1066468504.db2.gz LIJFAUSKPYBRAU-QFIPXVFZSA-N 0 0 459.631 4.601 20 0 JJADRN O=C(Oc1ccccc1OCC(F)(F)F)c1nc(Br)ccc1Br ZINC001455991426 1066468513 /nfs/dbraw/zinc/46/85/13/1066468513.db2.gz CVPPNDGCEUITIA-UHFFFAOYSA-N 0 0 455.024 4.767 20 0 JJADRN CC(C)(C(=O)NCc1ccc(-n2cncn2)cc1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001444503426 1066468817 /nfs/dbraw/zinc/46/88/17/1066468817.db2.gz HSRMRMDQSARXQY-UHFFFAOYSA-N 0 0 455.946 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361162154 1066469047 /nfs/dbraw/zinc/46/90/47/1066469047.db2.gz JJEDMBYCLLOGRZ-LVXARBLLSA-N 0 0 454.615 4.808 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001444508407 1066469427 /nfs/dbraw/zinc/46/94/27/1066469427.db2.gz MOTHWSATKKWOBA-AJWBFMOXSA-N 0 0 477.443 4.998 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001455997444 1066469688 /nfs/dbraw/zinc/46/96/88/1066469688.db2.gz NHSLUTVERBNPBT-UHFFFAOYSA-N 0 0 450.789 4.604 20 0 JJADRN CCSc1ccc(CC(=O)N2CCN(c3cc(Cl)ccn3)CC2)c(Br)c1 ZINC001456000157 1066469779 /nfs/dbraw/zinc/46/97/79/1066469779.db2.gz DCVYMAPJNCIKJU-UHFFFAOYSA-N 0 0 454.821 4.501 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSC(C)(C)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361162496 1066470115 /nfs/dbraw/zinc/47/01/15/1066470115.db2.gz CMYRDPRPSFWEBC-RUZDIDTESA-N 0 0 458.672 4.747 20 0 JJADRN COc1cc(C(=O)Nc2cc(-c3ccc(Br)o3)nn2-c2cc(C)cc(C)c2)on1 ZINC001444511022 1066470181 /nfs/dbraw/zinc/47/01/81/1066470181.db2.gz UIAVTPJQQIGXOH-UHFFFAOYSA-N 0 0 457.284 4.761 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC001456004859 1066470201 /nfs/dbraw/zinc/47/02/01/1066470201.db2.gz GQGPSSPURKFUFB-UHFFFAOYSA-N 0 0 453.955 4.510 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CC(=O)NC2CCCCC2)c1 ZINC001361162443 1066470243 /nfs/dbraw/zinc/47/02/43/1066470243.db2.gz CATTXVDYNAYINM-HSZRJFAPSA-N 0 0 485.698 4.501 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001361162851 1066470969 /nfs/dbraw/zinc/47/09/69/1066470969.db2.gz SNCOBNUEMDBLSB-GOSISDBHSA-N 0 0 455.628 4.599 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1)N1CCCO1 ZINC001546078483 1066471058 /nfs/dbraw/zinc/47/10/58/1066471058.db2.gz PMJZFINJEPLMKF-UHFFFAOYSA-N 0 0 456.951 4.513 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCN(c3cc(Cl)ccn3)CC2)cs1 ZINC001456009219 1066471147 /nfs/dbraw/zinc/47/11/47/1066471147.db2.gz XNJBGQKOCBDJQA-UHFFFAOYSA-N 0 0 458.990 4.932 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCc2nccs2)c1 ZINC001361163047 1066471557 /nfs/dbraw/zinc/47/15/57/1066471557.db2.gz UQQSBOGKYJKMFE-NRFANRHFSA-N 0 0 469.655 4.815 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C)[C@H]3C)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361162954 1066471631 /nfs/dbraw/zinc/47/16/31/1066471631.db2.gz IXGDQAFAINXBSA-MSOLQXFVSA-N 0 0 489.592 4.849 20 0 JJADRN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001456009371 1066471728 /nfs/dbraw/zinc/47/17/28/1066471728.db2.gz QWKCEKVJZICIRR-LLVKDONJSA-N 0 0 454.802 4.582 20 0 JJADRN Cc1sc(=O)n(CCC(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1C ZINC001456011764 1066471813 /nfs/dbraw/zinc/47/18/13/1066471813.db2.gz VJDHIGHIXOOFRX-UHFFFAOYSA-N 0 0 455.624 4.805 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1 ZINC001444516680 1066471794 /nfs/dbraw/zinc/47/17/94/1066471794.db2.gz YTHMVHDNHMLXBU-AHWVRZQESA-N 0 0 450.623 4.698 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cccc(C)c2NC(=O)c2ccncc2)cc1 ZINC001444514535 1066471861 /nfs/dbraw/zinc/47/18/61/1066471861.db2.gz VPDADFDOJLDIHP-XMMPIXPASA-N 0 0 457.574 4.815 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012796 1066472601 /nfs/dbraw/zinc/47/26/01/1066472601.db2.gz BNGSOWCXVDFZCI-VGSWGCGISA-N 0 0 459.537 4.557 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C(C)C)C2)sc1C ZINC001361163451 1066472682 /nfs/dbraw/zinc/47/26/82/1066472682.db2.gz XZOCEUIQNAPNSI-JOCHJYFZSA-N 0 0 469.655 4.651 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C(C)C)C2)sc1C ZINC001361163452 1066472713 /nfs/dbraw/zinc/47/27/13/1066472713.db2.gz XZOCEUIQNAPNSI-QFIPXVFZSA-N 0 0 469.655 4.651 20 0 JJADRN COc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br ZINC001361163510 1066473237 /nfs/dbraw/zinc/47/32/37/1066473237.db2.gz OFMNOARYJJQHEB-FQEVSTJZSA-N 0 0 453.336 4.958 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C)cc1S(=O)(=O)NC(C)C ZINC001456015920 1066473994 /nfs/dbraw/zinc/47/39/94/1066473994.db2.gz KRKDZZVDEILMIO-UHFFFAOYSA-N 0 0 454.548 4.735 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)[C@H]2C)c(C)o1 ZINC001361163836 1066474002 /nfs/dbraw/zinc/47/40/02/1066474002.db2.gz RIUYHBHWNTUXCS-NYUJMHJJSA-N 0 0 484.666 4.922 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456015964 1066474032 /nfs/dbraw/zinc/47/40/32/1066474032.db2.gz KVLYMUKCPIFOJI-QSXDINTFSA-N 0 0 455.549 4.838 20 0 JJADRN COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001456019040 1066476227 /nfs/dbraw/zinc/47/62/27/1066476227.db2.gz NQXMRGHVCNYLCM-RDGATRHJSA-N 0 0 458.558 4.503 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001444562703 1066476342 /nfs/dbraw/zinc/47/63/42/1066476342.db2.gz FNYOHWFYEWXTAF-XZOQPEGZSA-N 0 0 456.558 4.672 20 0 JJADRN O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)C(=O)c1ccc(Br)s1 ZINC001456018637 1066476370 /nfs/dbraw/zinc/47/63/70/1066476370.db2.gz KLKLDTKKDQVECR-UHFFFAOYSA-N 0 0 456.321 4.559 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C4CC4)n3CCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001361165482 1066476491 /nfs/dbraw/zinc/47/64/91/1066476491.db2.gz ICHZUAWAMLVLTJ-UHFFFAOYSA-N 0 0 453.631 4.937 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C)(c3ccc(C)cc3)CC2)n1 ZINC001361166099 1066477107 /nfs/dbraw/zinc/47/71/07/1066477107.db2.gz QCLUDWWFBBPOLO-IBGZPJMESA-N 0 0 480.682 4.851 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2)n1 ZINC001444569503 1066477792 /nfs/dbraw/zinc/47/77/92/1066477792.db2.gz RSOKJHMCLJKEDQ-XMMPIXPASA-N 0 0 450.970 4.636 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)C)CC2)cc1 ZINC001361166271 1066477728 /nfs/dbraw/zinc/47/77/28/1066477728.db2.gz RYQDKHXAXYYDNG-LADGPHEKSA-N 0 0 481.685 4.734 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC001456021661 1066478309 /nfs/dbraw/zinc/47/83/09/1066478309.db2.gz XUJLXQFLRABLLG-UHFFFAOYSA-N 0 0 453.344 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)C1 ZINC001456021068 1066478333 /nfs/dbraw/zinc/47/83/33/1066478333.db2.gz WTNYFASFMSNSFD-BJHJDKERSA-N 0 0 453.326 4.818 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)CCSc3ccccc3)cc2)[nH]1 ZINC001444572867 1066478591 /nfs/dbraw/zinc/47/85/91/1066478591.db2.gz WPRKOGAQAXDHJW-UHFFFAOYSA-N 0 0 453.568 4.617 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)CC3)c2c1 ZINC001456024155 1066479828 /nfs/dbraw/zinc/47/98/28/1066479828.db2.gz DCJMWLODDYZHIN-OAQYLSRUSA-N 0 0 456.583 4.665 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(N4CCC[C@@H](NC(=O)C(C)C)C4)nnc3C(C)(C)C)co2)cc1 ZINC001361167305 1066479912 /nfs/dbraw/zinc/47/99/12/1066479912.db2.gz MOVLPAPUOITLLB-OAQYLSRUSA-N 0 0 478.641 4.523 20 0 JJADRN COc1cc(CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)n[nH]2)cc(OC)c1 ZINC001444599293 1066480181 /nfs/dbraw/zinc/48/01/81/1066480181.db2.gz HNTPYNUQRDCUQJ-UHFFFAOYSA-N 0 0 450.322 4.536 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)COCC3CCCCC3)cc2)cc1C ZINC001456024442 1066480605 /nfs/dbraw/zinc/48/06/05/1066480605.db2.gz KDRHTFTWJGBGLK-HXUWFJFHSA-N 0 0 458.624 4.819 20 0 JJADRN Cc1cccc(N(C)C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)n1 ZINC001444605346 1066480651 /nfs/dbraw/zinc/48/06/51/1066480651.db2.gz IMECLAZFWVRCHU-UHFFFAOYSA-N 0 0 459.575 4.613 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361167920 1066481382 /nfs/dbraw/zinc/48/13/82/1066481382.db2.gz XFJQIBVBQSFTHW-HHHXNRCGSA-N 0 0 485.673 4.576 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444607363 1066481663 /nfs/dbraw/zinc/48/16/63/1066481663.db2.gz JVTRWJMHHVYLII-UGKGYDQZSA-N 0 0 458.961 4.745 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC001361168022 1066481972 /nfs/dbraw/zinc/48/19/72/1066481972.db2.gz YNCFJCJZXQXYHT-RUZDIDTESA-N 0 0 487.570 4.930 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1 ZINC001456028780 1066482214 /nfs/dbraw/zinc/48/22/14/1066482214.db2.gz HATSQEICUZQJJK-UHFFFAOYSA-N 0 0 459.980 4.940 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)n1 ZINC001456030790 1066482812 /nfs/dbraw/zinc/48/28/12/1066482812.db2.gz KJVKGIDEYVYEQK-IBGZPJMESA-N 0 0 458.990 4.867 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001456029785 1066482901 /nfs/dbraw/zinc/48/29/01/1066482901.db2.gz GVNMFXAMMUNEQO-CQSZACIVSA-N 0 0 455.308 4.746 20 0 JJADRN O=C(N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br)c1ns[nH]c1=O ZINC001444613557 1066482984 /nfs/dbraw/zinc/48/29/84/1066482984.db2.gz KPAIJBWLAFEZLK-CQSZACIVSA-N 0 0 456.724 4.513 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2(O)CCOCC2)cc1Br ZINC001361169595 1066483585 /nfs/dbraw/zinc/48/35/85/1066483585.db2.gz HWEKGPFTQZEOMA-INIZCTEOSA-N 0 0 491.455 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCCOC[C@H]2CCOC2)o1 ZINC001361169588 1066483666 /nfs/dbraw/zinc/48/36/66/1066483666.db2.gz HRSWGKACBMNUMJ-ZWKOTPCHSA-N 0 0 460.525 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CC2(O)CCOCC2)cc1Br ZINC001361169596 1066483738 /nfs/dbraw/zinc/48/37/38/1066483738.db2.gz HWEKGPFTQZEOMA-MRXNPFEDSA-N 0 0 491.455 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2CCC(C)(C)O)o1 ZINC001361169729 1066484224 /nfs/dbraw/zinc/48/42/24/1066484224.db2.gz AKUCAOJVNPUHSJ-QGZVFWFLSA-N 0 0 465.367 4.917 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2CCC(=O)N2CCCCCC2)o1 ZINC001361169640 1066484239 /nfs/dbraw/zinc/48/42/39/1066484239.db2.gz IGLYRYKDJGCKGC-OTASCSKISA-N 0 0 497.665 4.574 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cs1 ZINC001456033130 1066484340 /nfs/dbraw/zinc/48/43/40/1066484340.db2.gz KBSMQQHYFBWFPD-UHFFFAOYSA-N 0 0 451.527 4.991 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC001456035313 1066484959 /nfs/dbraw/zinc/48/49/59/1066484959.db2.gz QWBVSGMOJDGUOR-LJQANCHMSA-N 0 0 451.368 4.621 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001444622411 1066485197 /nfs/dbraw/zinc/48/51/97/1066485197.db2.gz KNAULELSSNWKBC-GHTZIAJQSA-N 0 0 454.567 4.650 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2c[nH]c3cnccc23)c2ccccc2)cc1Br ZINC001456034596 1066485261 /nfs/dbraw/zinc/48/52/61/1066485261.db2.gz IUYFLLJXAMQZAL-QHCPKHFHSA-N 0 0 450.336 4.782 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C4CCCCCC4)[nH]n3)s2)CC1 ZINC001444622511 1066485299 /nfs/dbraw/zinc/48/52/99/1066485299.db2.gz LCRHPGKOLKDSDA-UHFFFAOYSA-N 0 0 450.630 4.582 20 0 JJADRN CC(C)(Cc1ccccc1Cl)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001456035092 1066485873 /nfs/dbraw/zinc/48/58/73/1066485873.db2.gz ATYHEGCIACBTJX-UHFFFAOYSA-N 0 0 452.780 4.752 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)n2)cc1 ZINC001456035325 1066485930 /nfs/dbraw/zinc/48/59/30/1066485930.db2.gz PHNZWCITIIWAIN-UHFFFAOYSA-N 0 0 458.971 4.782 20 0 JJADRN CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCc1ccc(O)cc1 ZINC001444627379 1066486103 /nfs/dbraw/zinc/48/61/03/1066486103.db2.gz GFSGDOGMMPSPMQ-UHFFFAOYSA-N 0 0 458.558 4.758 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001456037145 1066486259 /nfs/dbraw/zinc/48/62/59/1066486259.db2.gz ZVRWEWAWLXHFDI-OAQYLSRUSA-N 0 0 451.320 4.777 20 0 JJADRN CC[C@H](C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456037485 1066486279 /nfs/dbraw/zinc/48/62/79/1066486279.db2.gz HWUIJXMEFBYWHG-SCLBCKFNSA-N 0 0 451.880 4.711 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC001456037543 1066486286 /nfs/dbraw/zinc/48/62/86/1066486286.db2.gz KTHKEOSQZRWQDF-CYBMUJFWSA-N 0 0 458.219 4.519 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444631967 1066486538 /nfs/dbraw/zinc/48/65/38/1066486538.db2.gz XJTFNMJBUSGGPA-RHSMWYFYSA-N 0 0 451.539 4.548 20 0 JJADRN Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1OCC1CCOCC1 ZINC001444636325 1066486659 /nfs/dbraw/zinc/48/66/59/1066486659.db2.gz KRIUMPRYWWFURI-BKMJKUGQSA-N 0 0 458.599 4.919 20 0 JJADRN O=C(NCCCc1ccc(O)cc1)c1ccccc1NC(=O)c1ccccc1Br ZINC001444636783 1066486693 /nfs/dbraw/zinc/48/66/93/1066486693.db2.gz YTPCIBNWYGKRAF-UHFFFAOYSA-N 0 0 453.336 4.770 20 0 JJADRN CC(C)n1c(CNC(=O)C2(c3ccc(I)cc3)CC2)nc2ccccc21 ZINC001444634235 1066486719 /nfs/dbraw/zinc/48/67/19/1066486719.db2.gz RJQMFWDIZFCFCB-UHFFFAOYSA-N 0 0 459.331 4.570 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cnc(-c2ccccc2Cl)nc1 ZINC001456039641 1066487831 /nfs/dbraw/zinc/48/78/31/1066487831.db2.gz SMPPSTFBPYPMMM-MRXNPFEDSA-N 0 0 457.759 4.568 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2occc2C)o1 ZINC001361171824 1066487898 /nfs/dbraw/zinc/48/78/98/1066487898.db2.gz SPJRGSVCEOAMPA-UHFFFAOYSA-N 0 0 455.559 4.632 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361172252 1066489258 /nfs/dbraw/zinc/48/92/58/1066489258.db2.gz YRIKURHSCLFVHF-VQIMIIECSA-N 0 0 476.463 4.803 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c(Cl)c1 ZINC001456044639 1066489551 /nfs/dbraw/zinc/48/95/51/1066489551.db2.gz RAHQSEANJFTGMY-SFHVURJKSA-N 0 0 456.886 4.554 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)COC(c1ccccc1)c1ccccc1 ZINC001361172565 1066490098 /nfs/dbraw/zinc/49/00/98/1066490098.db2.gz GIVXTKHNTPZCKN-DEOSSOPVSA-N 0 0 458.602 4.542 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001361172754 1066490166 /nfs/dbraw/zinc/49/01/66/1066490166.db2.gz JGYIYTHDQWXZTL-KCWPFWIISA-N 0 0 450.623 4.684 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001361172758 1066490182 /nfs/dbraw/zinc/49/01/82/1066490182.db2.gz JGYIYTHDQWXZTL-YIXXDRMTSA-N 0 0 450.623 4.684 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001444664068 1066490238 /nfs/dbraw/zinc/49/02/38/1066490238.db2.gz ARFSCDKTSJQSGV-XXBNENTESA-N 0 0 454.364 4.537 20 0 JJADRN CCC(CC)(CNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)NC(=O)OC(C)(C)C ZINC001444664729 1066490271 /nfs/dbraw/zinc/49/02/71/1066490271.db2.gz DXJSCBVMDVZORA-UHFFFAOYSA-N 0 0 454.493 4.704 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)F)c(Br)c1 ZINC001444666479 1066490307 /nfs/dbraw/zinc/49/03/07/1066490307.db2.gz JOUBQAHEBFKKPZ-ZDUSSCGKSA-N 0 0 455.082 4.821 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC001456045378 1066490716 /nfs/dbraw/zinc/49/07/16/1066490716.db2.gz BCIDAFGAKRBPFL-PBHICJAKSA-N 0 0 453.391 4.918 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669353 1066490777 /nfs/dbraw/zinc/49/07/77/1066490777.db2.gz PWPRSZLUXGJLKS-UKILVPOCSA-N 0 0 450.966 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@]2(O)CCCC2(C)C)cc1Br ZINC001361174121 1066491257 /nfs/dbraw/zinc/49/12/57/1066491257.db2.gz MYDRKTQQZATWQJ-VGSWGCGISA-N 0 0 479.488 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CCOC[C@H]2C)cc1Br ZINC001361174581 1066491304 /nfs/dbraw/zinc/49/13/04/1066491304.db2.gz UFKBDTUDEKPCMN-BPQIPLTHSA-N 0 0 465.461 4.630 20 0 JJADRN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001456047179 1066491321 /nfs/dbraw/zinc/49/13/21/1066491321.db2.gz HNTRFQGDBFOVEL-IBGZPJMESA-N 0 0 457.914 4.820 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361174811 1066491494 /nfs/dbraw/zinc/49/14/94/1066491494.db2.gz XIMZOSDJMFFTJK-HHHXNRCGSA-N 0 0 491.592 4.656 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC3CCCCC3)cc2)cc1 ZINC001456047667 1066492218 /nfs/dbraw/zinc/49/22/18/1066492218.db2.gz HUMZSRQLCYFGNS-QHCPKHFHSA-N 0 0 454.592 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2Cc2cscc2C)o1 ZINC001361175155 1066492227 /nfs/dbraw/zinc/49/22/27/1066492227.db2.gz DRYDFRPUHZJZPH-UHFFFAOYSA-N 0 0 455.971 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CCCOC2CCCC2)o1 ZINC001361175392 1066492834 /nfs/dbraw/zinc/49/28/34/1066492834.db2.gz LNXKYHFGHCWKTD-UHFFFAOYSA-N 0 0 465.598 4.888 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001456049747 1066492770 /nfs/dbraw/zinc/49/27/70/1066492770.db2.gz TYWKYLNYRHBDKL-IUODEOHRSA-N 0 0 454.379 4.611 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCc3cc(Br)ccc32)c1C ZINC001456049555 1066492884 /nfs/dbraw/zinc/49/28/84/1066492884.db2.gz NQHOIHIFWRSRSR-ICSRJNTNSA-N 0 0 459.409 4.636 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)c1cc(F)cc(Br)c1F ZINC001456049822 1066492893 /nfs/dbraw/zinc/49/28/93/1066492893.db2.gz UBGKRBNYTDPMNW-OAHLLOKOSA-N 0 0 451.223 4.848 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Br)ccc2Cl)cc1C ZINC001456050919 1066493485 /nfs/dbraw/zinc/49/34/85/1066493485.db2.gz MYKYGGYOMBARCF-QGZVFWFLSA-N 0 0 453.789 4.873 20 0 JJADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444689828 1066493442 /nfs/dbraw/zinc/49/34/42/1066493442.db2.gz JNRSNXUJVPUPPY-LRYHZEFKSA-N 0 0 452.595 4.870 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)Oc1cccc(Cl)c1 ZINC001444688387 1066493551 /nfs/dbraw/zinc/49/35/51/1066493551.db2.gz JKVKFIJSXVJEOO-DJJJIMSYSA-N 0 0 454.901 4.768 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001444694654 1066493914 /nfs/dbraw/zinc/49/39/14/1066493914.db2.gz PGYKKSVYHKINAR-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545968547 1066494619 /nfs/dbraw/zinc/49/46/19/1066494619.db2.gz HGZKIMQLRBAGFE-HOTGVXAUSA-N 0 0 453.450 4.855 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc1OC ZINC001361177186 1066495096 /nfs/dbraw/zinc/49/50/96/1066495096.db2.gz VNQBNLLKGPFEJJ-OAHLLOKOSA-N 0 0 458.356 4.923 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)c2ccccc2Cl)c(C)c1 ZINC001444705823 1066495153 /nfs/dbraw/zinc/49/51/53/1066495153.db2.gz NDGJEHFKLPOREZ-OAQYLSRUSA-N 0 0 453.951 4.616 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)c(C)c3)cs2)c1 ZINC001456055843 1066495979 /nfs/dbraw/zinc/49/59/79/1066495979.db2.gz RFBKLSMKSSTVIM-NRFANRHFSA-N 0 0 451.617 4.818 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2([S@@](C)=O)CCC2)o1 ZINC001361177587 1066496560 /nfs/dbraw/zinc/49/65/60/1066496560.db2.gz JXHRDCLAVQPBKL-SSEXGKCCSA-N 0 0 450.967 4.577 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545968752 1066496681 /nfs/dbraw/zinc/49/66/81/1066496681.db2.gz LAFMLUQVYQOFCS-HRFSGMKKSA-N 0 0 494.640 4.802 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cccc2c(Br)cccc12 ZINC001456056402 1066496721 /nfs/dbraw/zinc/49/67/21/1066496721.db2.gz WWGFJWVJSCMSPO-LJQANCHMSA-N 0 0 459.340 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2Cc2c(C)nn(C)c2C)o1 ZINC001361177764 1066496982 /nfs/dbraw/zinc/49/69/82/1066496982.db2.gz PYXCVRJATRKFDE-UHFFFAOYSA-N 0 0 475.416 4.706 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Br)cs3)n2CC2(O)CCCC2)o1 ZINC001361177759 1066497044 /nfs/dbraw/zinc/49/70/44/1066497044.db2.gz PUPVDOUZGVCFBP-UHFFFAOYSA-N 0 0 451.390 4.612 20 0 JJADRN CC[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC001456058024 1066497319 /nfs/dbraw/zinc/49/73/19/1066497319.db2.gz YCNWBRJMNMKVIF-MAUKXSAKSA-N 0 0 451.361 4.622 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001456057768 1066497375 /nfs/dbraw/zinc/49/73/75/1066497375.db2.gz XPAZOCLQOHFWJY-SBUREZEXSA-N 0 0 450.535 4.800 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2C[C@H]2CCC[C@H](O)C2)o1 ZINC001361178049 1066497669 /nfs/dbraw/zinc/49/76/69/1066497669.db2.gz YBTKQBHIHIKJEX-GJZGRUSLSA-N 0 0 465.417 4.858 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001361177965 1066497713 /nfs/dbraw/zinc/49/77/13/1066497713.db2.gz WHYDQLQJPFGNSM-WNSKOXEYSA-N 0 0 488.430 4.808 20 0 JJADRN C[C@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001444727949 1066498010 /nfs/dbraw/zinc/49/80/10/1066498010.db2.gz KYDAHXSOXYCZOI-BLVKFPJESA-N 0 0 458.889 4.673 20 0 JJADRN C[C@@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001444727966 1066498023 /nfs/dbraw/zinc/49/80/23/1066498023.db2.gz KYDAHXSOXYCZOI-HXPMCKFVSA-N 0 0 458.889 4.673 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361178111 1066498091 /nfs/dbraw/zinc/49/80/91/1066498091.db2.gz ZZDBPPRCWSUNDB-HSZRJFAPSA-N 0 0 455.946 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2Cc2ccccc2Br)o1 ZINC001361178071 1066498211 /nfs/dbraw/zinc/49/82/11/1066498211.db2.gz YYRNZQWBIVMDCL-UHFFFAOYSA-N 0 0 456.344 4.899 20 0 JJADRN COc1cc2cc(C(=O)N(CCc3ccc(C)cc3)CC(F)(F)F)[nH]c2c(OC)c1OC ZINC001444733633 1066498697 /nfs/dbraw/zinc/49/86/97/1066498697.db2.gz GNVLRYWWMQYZIO-UHFFFAOYSA-N 0 0 450.457 4.749 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545968896 1066498803 /nfs/dbraw/zinc/49/88/03/1066498803.db2.gz NNHIJNIUHXWSEX-PZJWPPBQSA-N 0 0 494.640 4.658 20 0 JJADRN O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cccnc1Oc1ccc(Br)cc1 ZINC001444731788 1066498809 /nfs/dbraw/zinc/49/88/09/1066498809.db2.gz TXUGSAATYXVUJE-UHFFFAOYSA-N 0 0 455.287 4.624 20 0 JJADRN CO[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1cccc(Cl)c1 ZINC001444736888 1066499616 /nfs/dbraw/zinc/49/96/16/1066499616.db2.gz MUNWQXKCMQJKIG-HNNXBMFYSA-N 0 0 459.255 4.710 20 0 JJADRN CC(C)CN(Cc1ccccn1)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001456063164 1066499519 /nfs/dbraw/zinc/49/95/19/1066499519.db2.gz CPXXPGKZFPJNHJ-UHFFFAOYSA-N 0 0 456.637 4.589 20 0 JJADRN CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1F)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456063941 1066499670 /nfs/dbraw/zinc/49/96/70/1066499670.db2.gz HCXCROBBZDKYKK-HSZRJFAPSA-N 0 0 458.530 4.714 20 0 JJADRN CO[C@H](CNC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001444737151 1066499652 /nfs/dbraw/zinc/49/96/52/1066499652.db2.gz MDWSNOXHDYUGHC-GOSISDBHSA-N 0 0 453.461 4.626 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)CC2)cc1 ZINC001456064858 1066499715 /nfs/dbraw/zinc/49/97/15/1066499715.db2.gz BFVWEKSLTSZVNP-UHFFFAOYSA-N 0 0 454.636 4.567 20 0 JJADRN CCC[C@](C)(O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC ZINC001444738346 1066500108 /nfs/dbraw/zinc/50/01/08/1066500108.db2.gz MMFWCGUASCYVCX-HNEHEIDXSA-N 0 0 452.595 4.607 20 0 JJADRN C[C@@H](CNC(=O)c1cc2cc(Br)sc2[nH]1)Oc1ccc(Br)cc1 ZINC001444743613 1066500250 /nfs/dbraw/zinc/50/02/50/1066500250.db2.gz TXHZQSSTOMVTPR-VIFPVBQESA-N 0 0 458.175 4.952 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546078985 1066500022 /nfs/dbraw/zinc/50/00/22/1066500022.db2.gz CXPIYUYBSNKBDV-SLGOVJDISA-N 0 0 464.701 4.753 20 0 JJADRN CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456066998 1066500045 /nfs/dbraw/zinc/50/00/45/1066500045.db2.gz PMMXSGKVZBOPKT-RRPNLBNLSA-N 0 0 457.574 4.957 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001456065988 1066500197 /nfs/dbraw/zinc/50/01/97/1066500197.db2.gz FTNCTPMOGUKRHI-UHFFFAOYSA-N 0 0 455.486 4.578 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001444744075 1066500609 /nfs/dbraw/zinc/50/06/09/1066500609.db2.gz VHIKUVPXYVMBDR-IBGZPJMESA-N 0 0 450.295 4.909 20 0 JJADRN CCSCC[C@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001361179853 1066500691 /nfs/dbraw/zinc/50/06/91/1066500691.db2.gz GZAFEMCVPZQUBD-HNNXBMFYSA-N 0 0 454.514 4.984 20 0 JJADRN CCSCC[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001361180236 1066500753 /nfs/dbraw/zinc/50/07/53/1066500753.db2.gz RYGNVVJWHDBSRD-CQSZACIVSA-N 0 0 451.017 4.921 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456067074 1066500801 /nfs/dbraw/zinc/50/08/01/1066500801.db2.gz PSYGCELITOKSRU-RPBOFIJWSA-N 0 0 450.627 4.660 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1C ZINC001444744768 1066500727 /nfs/dbraw/zinc/50/07/27/1066500727.db2.gz QOBFRLFOFBRXRC-UHFFFAOYSA-N 0 0 455.602 4.999 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC001444748583 1066500864 /nfs/dbraw/zinc/50/08/64/1066500864.db2.gz XYWQEAWPUOOBSL-MBSDFSHPSA-N 0 0 452.576 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2Cc2csc(C)c2)o1 ZINC001361180506 1066501003 /nfs/dbraw/zinc/50/10/03/1066501003.db2.gz COKKIUKCWOVURG-UHFFFAOYSA-N 0 0 450.490 4.653 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC001456069011 1066501113 /nfs/dbraw/zinc/50/11/13/1066501113.db2.gz YHXYPOLEJSUCPD-IAPPQJPRSA-N 0 0 455.602 4.939 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCO[C@H]2CCCC[C@H]2C)o1 ZINC001361180693 1066501712 /nfs/dbraw/zinc/50/17/12/1066501712.db2.gz FYEHHGLWFWDWGU-QAPCUYQASA-N 0 0 480.535 4.831 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2CCCc2c[nH]nc2C)C1 ZINC001546079126 1066501736 /nfs/dbraw/zinc/50/17/36/1066501736.db2.gz GFMKMDPBXJTZGM-HSZRJFAPSA-N 0 0 487.446 4.910 20 0 JJADRN CC(C)CC[C@](C)(O)CNC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001444759927 1066501691 /nfs/dbraw/zinc/50/16/91/1066501691.db2.gz SSFYINMBSPESME-MHZLTWQESA-N 0 0 452.595 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccsc3)n2CC2([S@](C)=O)CC2)cc1Br ZINC001361181025 1066501991 /nfs/dbraw/zinc/50/19/91/1066501991.db2.gz DKUFMRSNQWQPMX-NDEPHWFRSA-N 0 0 479.469 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2Cc2ccc(F)cn2)o1 ZINC001361181061 1066502430 /nfs/dbraw/zinc/50/24/30/1066502430.db2.gz OGXASHXVTXMJOK-UHFFFAOYSA-N 0 0 456.319 4.828 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)cc2)cn1 ZINC001456071373 1066502540 /nfs/dbraw/zinc/50/25/40/1066502540.db2.gz BXPPZRSCUQHDMA-UHFFFAOYSA-N 0 0 454.914 4.652 20 0 JJADRN O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001444767976 1066502719 /nfs/dbraw/zinc/50/27/19/1066502719.db2.gz MWAHMXIYLRHRBD-AWEZNQCLSA-N 0 0 455.744 4.840 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)C2CC2)nc1C ZINC001456071465 1066502583 /nfs/dbraw/zinc/50/25/83/1066502583.db2.gz CXNIBSBJNUGDHW-UHFFFAOYSA-N 0 0 458.971 4.644 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1 ZINC001456074745 1066503030 /nfs/dbraw/zinc/50/30/30/1066503030.db2.gz FXPNHKKMXQJHGH-HSZRJFAPSA-N 0 0 457.534 4.933 20 0 JJADRN CCc1ccc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc1S(C)(=O)=O ZINC001456072433 1066503053 /nfs/dbraw/zinc/50/30/53/1066503053.db2.gz KUILMJSZDPUBBR-QHCPKHFHSA-N 0 0 456.995 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCCc2ccccc2)o1 ZINC001361181497 1066503288 /nfs/dbraw/zinc/50/32/88/1066503288.db2.gz ZEVHVCJHZGQUPW-UHFFFAOYSA-N 0 0 458.488 4.868 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)c1 ZINC001456074608 1066503637 /nfs/dbraw/zinc/50/36/37/1066503637.db2.gz MJUAWZMXWBZAQZ-UHFFFAOYSA-N 0 0 457.290 4.875 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)Cc2sc(-c3ccn(C)n3)nc2C)cc1 ZINC001456075667 1066503682 /nfs/dbraw/zinc/50/36/82/1066503682.db2.gz QBCUYDMDBGWVOP-RUZDIDTESA-N 0 0 459.619 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2CC2)cc1Br ZINC001361181499 1066503681 /nfs/dbraw/zinc/50/36/81/1066503681.db2.gz ZGLZTSJSBJDDBZ-UHFFFAOYSA-N 0 0 455.404 4.976 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)C2)cc1 ZINC001444781081 1066503656 /nfs/dbraw/zinc/50/36/56/1066503656.db2.gz PNYATUHCDRULBR-RSXGOPAZSA-N 0 0 457.574 4.748 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)C1(F)F ZINC001456076323 1066503986 /nfs/dbraw/zinc/50/39/86/1066503986.db2.gz MBMXCNPJHDGAHH-XJKCOSOUSA-N 0 0 462.459 4.604 20 0 JJADRN CCN(C(=O)c1nn2c(c1Br)CCC2)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456076786 1066504030 /nfs/dbraw/zinc/50/40/30/1066504030.db2.gz RBMHNODOYNNPQJ-HXUWFJFHSA-N 0 0 459.775 4.892 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)C1(F)F ZINC001456076239 1066504147 /nfs/dbraw/zinc/50/41/47/1066504147.db2.gz MBMXCNPJHDGAHH-WOSRLPQWSA-N 0 0 462.459 4.604 20 0 JJADRN C[C@@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001444789621 1066504107 /nfs/dbraw/zinc/50/41/07/1066504107.db2.gz YOJIDBUUTFXCEY-IBGZPJMESA-N 0 0 456.558 4.678 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccccc2NC(=O)OC)cc1 ZINC001444783015 1066504119 /nfs/dbraw/zinc/50/41/19/1066504119.db2.gz QVZYQDPKWUWTHB-UHFFFAOYSA-N 0 0 454.504 4.703 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2)cc1 ZINC001444785952 1066504318 /nfs/dbraw/zinc/50/43/18/1066504318.db2.gz UFCSFZKXVNBLFL-PKTZIBPZSA-N 0 0 451.611 4.606 20 0 JJADRN Cc1cc(I)cnc1NC(=O)COC(c1ccccc1)c1ccccc1 ZINC001361182587 1066504661 /nfs/dbraw/zinc/50/46/61/1066504661.db2.gz DNJCIBUBJAVDFF-UHFFFAOYSA-N 0 0 458.299 4.739 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1cc(Cl)ccc1Br ZINC001361183408 1066505610 /nfs/dbraw/zinc/50/56/10/1066505610.db2.gz SKDIPSUZEMRNMO-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCCC3)n2CCCCn2cc(Br)cn2)o1 ZINC001361183178 1066505633 /nfs/dbraw/zinc/50/56/33/1066505633.db2.gz GZCKENKWHNCAKO-UHFFFAOYSA-N 0 0 461.408 4.912 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC001444800132 1066505629 /nfs/dbraw/zinc/50/56/29/1066505629.db2.gz CZBPRMRXNXQMGY-UHFFFAOYSA-N 0 0 454.567 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2Cc2cccnc2OCC(F)(F)F)o1 ZINC001361183474 1066505948 /nfs/dbraw/zinc/50/59/48/1066505948.db2.gz LJXVDHJTCDOFQX-UHFFFAOYSA-N 0 0 471.430 4.712 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC001444804248 1066506128 /nfs/dbraw/zinc/50/61/28/1066506128.db2.gz LTJDXTMEWSDAMR-AOMKIAJQSA-N 0 0 458.961 4.950 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC001444807176 1066506496 /nfs/dbraw/zinc/50/64/96/1066506496.db2.gz SUQCZUMGTKCIMH-MWTRTKDXSA-N 0 0 456.514 4.989 20 0 JJADRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC001444807172 1066506549 /nfs/dbraw/zinc/50/65/49/1066506549.db2.gz SUQCZUMGTKCIMH-HJPURHCSSA-N 0 0 456.514 4.989 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCC[C@H](O)C2)cc1Br ZINC001361183861 1066506565 /nfs/dbraw/zinc/50/65/65/1066506565.db2.gz QDCZKCKHLLIGFX-GSHBMFQSSA-N 0 0 465.411 4.751 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCN(C)CC(F)(F)F)cc1Br ZINC001361183960 1066506581 /nfs/dbraw/zinc/50/65/81/1066506581.db2.gz UFRFKHCOHCPHEB-UHFFFAOYSA-N 0 0 492.359 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCCc2nccs2)cc1Br ZINC001361184331 1066507005 /nfs/dbraw/zinc/50/70/05/1066507005.db2.gz GZDNTMWQNPWDOQ-QGZVFWFLSA-N 0 0 490.471 4.968 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)c(OC)c1 ZINC001444807246 1066507071 /nfs/dbraw/zinc/50/70/71/1066507071.db2.gz VHGFCPZEJJZNRH-IBGZPJMESA-N 0 0 455.555 4.529 20 0 JJADRN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC001444810065 1066507745 /nfs/dbraw/zinc/50/77/45/1066507745.db2.gz SXPRQPIKTNCPHG-CYBMUJFWSA-N 0 0 459.420 4.569 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CC2(C)CC2)cc1Br ZINC001361184614 1066508221 /nfs/dbraw/zinc/50/82/21/1066508221.db2.gz OKBIOAAMHFXIDQ-UHFFFAOYSA-N 0 0 463.420 4.651 20 0 JJADRN Cc1ccccc1O[C@@H](C)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001444811762 1066508300 /nfs/dbraw/zinc/50/83/00/1066508300.db2.gz KMOXOEMIIYZOAS-FQEVSTJZSA-N 0 0 458.558 4.807 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCCO[C@@H]2CCOC2)cc1Br ZINC001361184937 1066508764 /nfs/dbraw/zinc/50/87/64/1066508764.db2.gz WAKJLEHZRROBIZ-LJQANCHMSA-N 0 0 465.436 4.694 20 0 JJADRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)C1 ZINC001444816096 1066508723 /nfs/dbraw/zinc/50/87/23/1066508723.db2.gz SBKHZLPVLMKCTC-ZPMCFJSWSA-N 0 0 456.562 4.818 20 0 JJADRN Cc1ccc(O[C@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC001444815624 1066509030 /nfs/dbraw/zinc/50/90/30/1066509030.db2.gz XJVSBLVCNROBOP-QGZVFWFLSA-N 0 0 458.967 4.647 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cc(Cl)c4ccccc4n3)CCCC2)cc1OC ZINC001361185266 1066509247 /nfs/dbraw/zinc/50/92/47/1066509247.db2.gz DQMCJHGKHSTRBF-UHFFFAOYSA-N 0 0 453.926 4.587 20 0 JJADRN Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)cc1 ZINC001444818849 1066509401 /nfs/dbraw/zinc/50/94/01/1066509401.db2.gz VHLCFUYIJMNDAC-YLJYHZDGSA-N 0 0 470.520 4.987 20 0 JJADRN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001456099658 1066509466 /nfs/dbraw/zinc/50/94/66/1066509466.db2.gz PINUUICCEAMFRY-IIDMSEBBSA-N 0 0 452.860 4.606 20 0 JJADRN CN(C(=O)Cc1cc(Br)ccc1Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001456103125 1066509768 /nfs/dbraw/zinc/50/97/68/1066509768.db2.gz TUBFIGWZPFNQQN-QGZVFWFLSA-N 0 0 456.167 4.562 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSC(C)C)C1 ZINC001546079450 1066509895 /nfs/dbraw/zinc/50/98/95/1066509895.db2.gz MRNOHDDPHXGGGZ-IEGUWTFLSA-N 0 0 451.681 4.817 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)[C@@H](C)C2)cc1C ZINC001361186281 1066510023 /nfs/dbraw/zinc/51/00/23/1066510023.db2.gz PXQGQRIRKHVUAD-RBBKRZOGSA-N 0 0 454.014 4.546 20 0 JJADRN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444829589 1066510424 /nfs/dbraw/zinc/51/04/24/1066510424.db2.gz ULAYGOXMETVNEM-CQSZACIVSA-N 0 0 453.534 4.526 20 0 JJADRN O=C(NC1(c2ncc(Br)cn2)CCC1)c1cc(CCc2ccccc2)ccc1O ZINC001456103996 1066510451 /nfs/dbraw/zinc/51/04/51/1066510451.db2.gz LXOFAOKITZMOAR-UHFFFAOYSA-N 0 0 452.352 4.539 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361186976 1066510492 /nfs/dbraw/zinc/51/04/92/1066510492.db2.gz ADMOOZYGGXKPEL-QHCPKHFHSA-N 0 0 478.515 4.550 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cc(C(F)(F)F)ccc3F)CCCC2)cc1OC ZINC001361186853 1066510643 /nfs/dbraw/zinc/51/06/43/1066510643.db2.gz XWEWMXVZXGIYCH-UHFFFAOYSA-N 0 0 454.420 4.543 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cncc(-c2ccc(OC)cc2C)c1)C1CC1 ZINC001456104174 1066510564 /nfs/dbraw/zinc/51/05/64/1066510564.db2.gz GXRCQJUILMKYBB-SANMLTNESA-N 0 0 458.558 4.845 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCC1 ZINC001456105107 1066510628 /nfs/dbraw/zinc/51/06/28/1066510628.db2.gz OGFNNOBIBWMEOV-UHFFFAOYSA-N 0 0 450.539 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@]2(O)CCC[C@H]2C)cc1Br ZINC001361187098 1066510986 /nfs/dbraw/zinc/51/09/86/1066510986.db2.gz FLXBXYGAIOVCQQ-ZHRRBRCNSA-N 0 0 490.471 4.703 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)C1CCCCCC1 ZINC001456110670 1066511404 /nfs/dbraw/zinc/51/14/04/1066511404.db2.gz RMAIOOCECGTHOA-NRFANRHFSA-N 0 0 453.608 4.944 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCCCO)n2C[C@@H](C)c2nccs2)cc1Br ZINC001361187323 1066511436 /nfs/dbraw/zinc/51/14/36/1066511436.db2.gz MOHJWOIHQPXSTQ-MRXNPFEDSA-N 0 0 478.460 4.875 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@](C)(O)c2cccc(Cl)c2)o1 ZINC001361187330 1066511604 /nfs/dbraw/zinc/51/16/04/1066511604.db2.gz MQFQBBFNAYSKCG-JOCHJYFZSA-N 0 0 457.987 4.543 20 0 JJADRN CCc1c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cnn1-c1ccc(OC)cc1 ZINC001444843618 1066511567 /nfs/dbraw/zinc/51/15/67/1066511567.db2.gz HUCGQEYCSFXZJN-GOSISDBHSA-N 0 0 452.986 4.616 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001456109707 1066511606 /nfs/dbraw/zinc/51/16/06/1066511606.db2.gz NYESNZLTJOHOGC-UHFFFAOYSA-N 0 0 458.312 4.858 20 0 JJADRN COc1ccccc1OCC(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456114792 1066511966 /nfs/dbraw/zinc/51/19/66/1066511966.db2.gz DVQDWVZUXVDKNF-NRFANRHFSA-N 0 0 454.567 4.502 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1coc(-c2ccc(Br)cc2F)n1)CC(C)C ZINC001456113309 1066511975 /nfs/dbraw/zinc/51/19/75/1066511975.db2.gz SIMTYAZVVHZKCM-FQEVSTJZSA-N 0 0 455.324 4.589 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)o1 ZINC001361187478 1066512059 /nfs/dbraw/zinc/51/20/59/1066512059.db2.gz SYKZPXGZQFIZGT-UHFFFAOYSA-N 0 0 460.582 4.931 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@](C)(O)C(C)C)cc1Br ZINC001361187343 1066512103 /nfs/dbraw/zinc/51/21/03/1066512103.db2.gz NKTLEZJVAAGUCY-HSZRJFAPSA-N 0 0 479.463 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3cccs3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361187543 1066512407 /nfs/dbraw/zinc/51/24/07/1066512407.db2.gz WHXBTJCKZBJWMT-UHFFFAOYSA-N 0 0 459.616 4.890 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361187586 1066512523 /nfs/dbraw/zinc/51/25/23/1066512523.db2.gz XQEAIXNNSZYSJQ-KRWDZBQOSA-N 0 0 471.577 4.825 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H](C)N1CSCCSC1)CCO2 ZINC001444851817 1066512666 /nfs/dbraw/zinc/51/26/66/1066512666.db2.gz FYSJLKIREKXZFZ-XMSQKQJNSA-N 0 0 458.649 4.633 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001546079593 1066512896 /nfs/dbraw/zinc/51/28/96/1066512896.db2.gz PRFGOTCQFMJCLW-XMMPIXPASA-N 0 0 468.989 4.539 20 0 JJADRN CC(=O)Nc1cccc(OCCNC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 ZINC001456117436 1066513093 /nfs/dbraw/zinc/51/30/93/1066513093.db2.gz MGPIOQXOCXCYSZ-DEOSSOPVSA-N 0 0 452.938 4.922 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC2CC2)C1 ZINC001546079639 1066513588 /nfs/dbraw/zinc/51/35/88/1066513588.db2.gz QPKUCFOBDIHNIZ-SANMLTNESA-N 0 0 488.698 4.606 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](C)C2)o1 ZINC001361188211 1066513623 /nfs/dbraw/zinc/51/36/23/1066513623.db2.gz ORGGGXCQAIAILB-AZUAARDMSA-N 0 0 486.638 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3C)n2CC[S@](=O)C(C)(C)C)o1 ZINC001361188404 1066513714 /nfs/dbraw/zinc/51/37/14/1066513714.db2.gz RMICLXMWIUCPIY-YTTGMZPUSA-N 0 0 458.628 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](C)C2)o1 ZINC001361188214 1066513786 /nfs/dbraw/zinc/51/37/86/1066513786.db2.gz ORGGGXCQAIAILB-UYAOXDASSA-N 0 0 486.638 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2CCSCC(C)C)cc1Br ZINC001361188761 1066514114 /nfs/dbraw/zinc/51/41/14/1066514114.db2.gz XVQJCAXYCYJRGF-UHFFFAOYSA-N 0 0 477.476 4.738 20 0 JJADRN CC(C)(C)Cc1ncc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)s1 ZINC001444860934 1066514020 /nfs/dbraw/zinc/51/40/20/1066514020.db2.gz SGKWGVUQRFXYMQ-QGZVFWFLSA-N 0 0 454.436 4.930 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)C1 ZINC001546079673 1066514702 /nfs/dbraw/zinc/51/47/02/1066514702.db2.gz RGFJWUYIERDKCR-QHCPKHFHSA-N 0 0 474.030 4.760 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001456123941 1066515115 /nfs/dbraw/zinc/51/51/15/1066515115.db2.gz PJQRTGSUMYQGNG-UHFFFAOYSA-N 0 0 456.359 4.967 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1F ZINC001456123370 1066515170 /nfs/dbraw/zinc/51/51/70/1066515170.db2.gz QYUGBOTVRHDVNF-UHFFFAOYSA-N 0 0 450.514 4.880 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C=C(/C)c2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444878123 1066515377 /nfs/dbraw/zinc/51/53/77/1066515377.db2.gz GOLSTXUDCPYIOL-KKFJTVDOSA-N 0 0 453.535 4.547 20 0 JJADRN COc1ccc([C@H](NC(=O)/C=C(\C)c2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444878124 1066515391 /nfs/dbraw/zinc/51/53/91/1066515391.db2.gz GOLSTXUDCPYIOL-MIWMXLOXSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1cnc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)s1 ZINC001444882765 1066515759 /nfs/dbraw/zinc/51/57/59/1066515759.db2.gz AOUKFPZWNMZRMT-NRFANRHFSA-N 0 0 455.605 4.750 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC001444878155 1066515975 /nfs/dbraw/zinc/51/59/75/1066515975.db2.gz GVZNKJNWOIUPIG-SFHVURJKSA-N 0 0 459.612 4.528 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001444878217 1066515984 /nfs/dbraw/zinc/51/59/84/1066515984.db2.gz DORMRAMRVHJEKC-QGZVFWFLSA-N 0 0 458.530 4.743 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2CCCc2c[nH]nc2C)o1 ZINC001361190681 1066516131 /nfs/dbraw/zinc/51/61/31/1066516131.db2.gz PFWFUDOOTGOKMR-UHFFFAOYSA-N 0 0 454.962 4.679 20 0 JJADRN CCCc1c(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001456127257 1066516309 /nfs/dbraw/zinc/51/63/09/1066516309.db2.gz FLZQDHIZOBMZMZ-SANMLTNESA-N 0 0 452.599 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2CCN(C)CC(F)(F)F)o1 ZINC001361190640 1066516252 /nfs/dbraw/zinc/51/62/52/1066516252.db2.gz OGVVYCOTMFPGQM-UHFFFAOYSA-N 0 0 471.911 4.509 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444891184 1066516377 /nfs/dbraw/zinc/51/63/77/1066516377.db2.gz PKTXJIJPBBIUCU-UHFFFAOYSA-N 0 0 450.486 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)/C=C/c1ccccc1OC(F)(F)F)C2 ZINC001456129454 1066516703 /nfs/dbraw/zinc/51/67/03/1066516703.db2.gz IOCRRFOSGWUTIX-NEQMZLFVSA-N 0 0 454.489 4.991 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c2ccc(Br)cc2n1 ZINC001456128441 1066516719 /nfs/dbraw/zinc/51/67/19/1066516719.db2.gz PKBWTFUVBSZEAF-GOEBONIOSA-N 0 0 462.388 4.729 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC001456129279 1066516759 /nfs/dbraw/zinc/51/67/59/1066516759.db2.gz NIDYRCXUFFGEIG-NWDGAFQWSA-N 0 0 451.778 4.835 20 0 JJADRN Cc1cnc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C2CC2)s1 ZINC001444896409 1066516761 /nfs/dbraw/zinc/51/67/61/1066516761.db2.gz VLWWAURBMOCCLY-OAQYLSRUSA-N 0 0 455.605 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCC3CC3)n2CCC2CCOCC2)cc1Br ZINC001361190976 1066516834 /nfs/dbraw/zinc/51/68/34/1066516834.db2.gz XCKDXMVUUIFXGX-UHFFFAOYSA-N 0 0 477.447 4.696 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001444897306 1066516894 /nfs/dbraw/zinc/51/68/94/1066516894.db2.gz JWFZLHBOPBFGNW-OAQYLSRUSA-N 0 0 458.436 4.898 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1C ZINC001456131701 1066517676 /nfs/dbraw/zinc/51/76/76/1066517676.db2.gz VNEGHTGPUDKUGE-UHFFFAOYSA-N 0 0 450.535 4.668 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1nccc2cccnc21 ZINC001456133122 1066517715 /nfs/dbraw/zinc/51/77/15/1066517715.db2.gz BLAJIEMAWADDNN-UHFFFAOYSA-N 0 0 450.848 4.791 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1)NC(=O)OC(C)(C)C ZINC001545970254 1066517915 /nfs/dbraw/zinc/51/79/15/1066517915.db2.gz ASJUAPBKMGMQDR-NIYFSFCBSA-N 0 0 487.645 4.652 20 0 JJADRN Cc1cccc(C)c1OCCC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456134710 1066518073 /nfs/dbraw/zinc/51/80/73/1066518073.db2.gz BNBCAMGNIBJYEA-JAQLMMITSA-N 0 0 452.595 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC001456134990 1066518100 /nfs/dbraw/zinc/51/81/00/1066518100.db2.gz CEMSQHNLHIQIEC-MJGOQNOKSA-N 0 0 450.551 4.749 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001546079908 1066518124 /nfs/dbraw/zinc/51/81/24/1066518124.db2.gz WRNBHBVVYDXWBS-MPCDZSKCSA-N 0 0 463.667 4.690 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1 ZINC001456137413 1066518609 /nfs/dbraw/zinc/51/86/09/1066518609.db2.gz LMPDFDYGJKHQTE-OHGPIVNJSA-N 0 0 450.579 4.840 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC001361191697 1066518662 /nfs/dbraw/zinc/51/86/62/1066518662.db2.gz BTQWGXOCMCDBFJ-AWEZNQCLSA-N 0 0 453.812 4.573 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545970398 1066519275 /nfs/dbraw/zinc/51/92/75/1066519275.db2.gz CXDARJUMWZRIAA-ROUUACIJSA-N 0 0 475.659 4.589 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)ncn1 ZINC001456138577 1066519332 /nfs/dbraw/zinc/51/93/32/1066519332.db2.gz PDEACLZKFHWXLE-XUZZJYLKSA-N 0 0 450.970 4.598 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)[C@H](C)Oc1ccccc1Br)NC(=O)OC(C)(C)C ZINC001444935940 1066519444 /nfs/dbraw/zinc/51/94/44/1066519444.db2.gz OKPGFDPYVOPDJN-DOTOQJQBSA-N 0 0 457.409 4.614 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc43)C2)ncn1 ZINC001456139560 1066519643 /nfs/dbraw/zinc/51/96/43/1066519643.db2.gz RAOSJCHGXJGILI-YJBOKZPZSA-N 0 0 456.015 4.506 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)C1(c2ccccc2Br)CC1)NC(=O)OC(C)(C)C ZINC001444938672 1066519904 /nfs/dbraw/zinc/51/99/04/1066519904.db2.gz VRZAMAABUWMLOT-SFHVURJKSA-N 0 0 453.421 4.879 20 0 JJADRN CC(C)Cn1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cn1 ZINC001444941425 1066519957 /nfs/dbraw/zinc/51/99/57/1066519957.db2.gz YJSSQSLWWUAQPF-KRWDZBQOSA-N 0 0 451.365 4.506 20 0 JJADRN C[C@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)[C@H]1CNC(=O)OC(C)(C)C ZINC001361192462 1066520022 /nfs/dbraw/zinc/52/00/22/1066520022.db2.gz IFQOJBWJFOJVKU-YWZLYKJASA-N 0 0 459.974 4.873 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001361193578 1066520118 /nfs/dbraw/zinc/52/01/18/1066520118.db2.gz WUYJVBMHMRUMMG-HXUWFJFHSA-N 0 0 458.393 4.792 20 0 JJADRN COc1ccsc1C(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456141092 1066520181 /nfs/dbraw/zinc/52/01/81/1066520181.db2.gz CJVJOCSVUQZJGH-IAGOWNOFSA-N 0 0 458.580 4.527 20 0 JJADRN CC(C)OCc1ccc(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1 ZINC001456140386 1066520290 /nfs/dbraw/zinc/52/02/90/1066520290.db2.gz YQNYSGVFNONVCG-KICRTILUSA-N 0 0 452.595 4.967 20 0 JJADRN Cc1ccc(-c2cccc(NC(=O)c3cn4cc(CNC(=O)OC(C)(C)C)ccc4n3)n2)cc1 ZINC001456142397 1066520674 /nfs/dbraw/zinc/52/06/74/1066520674.db2.gz MSOJXOVPSXGFQU-UHFFFAOYSA-N 0 0 457.534 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C2CC(C(C)(C)C)C2)cc1Br ZINC001361194453 1066521004 /nfs/dbraw/zinc/52/10/04/1066521004.db2.gz ODLALUGGBVTMDM-FAEJEUNOSA-N 0 0 474.447 4.680 20 0 JJADRN Cc1cccc2cc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)c(Cl)nc12 ZINC001456145040 1066521210 /nfs/dbraw/zinc/52/12/10/1066521210.db2.gz BVIOOWLPUQWYHY-UHFFFAOYSA-N 0 0 458.949 4.941 20 0 JJADRN Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444951005 1066521593 /nfs/dbraw/zinc/52/15/93/1066521593.db2.gz YZNGCNLGNZGOFX-UHFFFAOYSA-N 0 0 453.951 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2Cc2cccc(F)c2)o1 ZINC001361194729 1066521614 /nfs/dbraw/zinc/52/16/14/1066521614.db2.gz VJTIUQFOIFUHRD-UHFFFAOYSA-N 0 0 491.386 4.857 20 0 JJADRN CC(C)Cn1cc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cn1 ZINC001444948466 1066521655 /nfs/dbraw/zinc/52/16/55/1066521655.db2.gz OFRBTXRAXPRZEJ-UHFFFAOYSA-N 0 0 453.593 4.788 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2Cc2cc(C(C)(C)C)no2)cc1Br ZINC001361195552 1066521969 /nfs/dbraw/zinc/52/19/69/1066521969.db2.gz CSVQFJKSTFVGDO-HOTGVXAUSA-N 0 0 488.430 4.963 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1ccccc1Br ZINC001444954201 1066522018 /nfs/dbraw/zinc/52/20/18/1066522018.db2.gz KGSBREVLDJKZNL-SFYKDHMMSA-N 0 0 459.384 4.861 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444956456 1066522585 /nfs/dbraw/zinc/52/25/85/1066522585.db2.gz PPKVPGARHAKCQG-MKCYZYCBSA-N 0 0 455.640 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361195676 1066522557 /nfs/dbraw/zinc/52/25/57/1066522557.db2.gz DTDVKPWVPKSTMW-LPHOPBHVSA-N 0 0 483.560 4.759 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001444958295 1066522603 /nfs/dbraw/zinc/52/26/03/1066522603.db2.gz NTTQPIHVCNVIBF-WOJBJXKFSA-N 0 0 452.636 4.821 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1nc2ccc(Br)cn2c1F ZINC001444959046 1066522814 /nfs/dbraw/zinc/52/28/14/1066522814.db2.gz PMFAPNASTYADFC-SFHVURJKSA-N 0 0 452.327 4.992 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3Cl)C3CCCC3)CC2=O)c(OC)c1 ZINC001456149987 1066522852 /nfs/dbraw/zinc/52/28/52/1066522852.db2.gz HPWQZFGJXPZUOY-SFHVURJKSA-N 0 0 456.970 4.682 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)OC ZINC001545970599 1066522882 /nfs/dbraw/zinc/52/28/82/1066522882.db2.gz HVUQMOZGHVEQKT-HXUWFJFHSA-N 0 0 489.636 4.983 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]1CSC)NC(=O)OC(C)(C)C ZINC001545970694 1066522903 /nfs/dbraw/zinc/52/29/03/1066522903.db2.gz KBYDMDXWSKXQSU-IRXDYDNUSA-N 0 0 463.623 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1ccc(Br)cc1 ZINC001444958924 1066522912 /nfs/dbraw/zinc/52/29/12/1066522912.db2.gz XRMGKOACNFFQKW-MSYCTHLASA-N 0 0 459.384 4.861 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC001456150054 1066523069 /nfs/dbraw/zinc/52/30/69/1066523069.db2.gz OCZVXYKDTFBKAA-QHCPKHFHSA-N 0 0 457.615 4.985 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnc(C)s1)Oc1cccc(F)c1 ZINC001545970825 1066523499 /nfs/dbraw/zinc/52/34/99/1066523499.db2.gz MQUIIWUGVBKRHI-SFHVURJKSA-N 0 0 452.559 4.738 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c(NC(=O)OC(C)(C)C)cnn1C ZINC001456151017 1066523556 /nfs/dbraw/zinc/52/35/56/1066523556.db2.gz UNWKYCTWGAYZMQ-GFCCVEGCSA-N 0 0 459.547 4.829 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1)NC(=O)OC(C)(C)C ZINC001545970843 1066523992 /nfs/dbraw/zinc/52/39/92/1066523992.db2.gz MVFYOLZJCKBRKT-LJQANCHMSA-N 0 0 482.604 4.852 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC(C)(C)CC1)NC(=O)OC(C)(C)C ZINC001545970971 1066524005 /nfs/dbraw/zinc/52/40/05/1066524005.db2.gz PPOVRUSFSFQWOO-SFHVURJKSA-N 0 0 457.619 4.883 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC001444966131 1066524051 /nfs/dbraw/zinc/52/40/51/1066524051.db2.gz FLHRGAQVFKSVBB-KSFYIVLOSA-N 0 0 458.580 4.589 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 ZINC001444965716 1066524061 /nfs/dbraw/zinc/52/40/61/1066524061.db2.gz ZBHVCOWTMBPKGG-OAHLLOKOSA-N 0 0 457.568 4.982 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 ZINC001456151627 1066523911 /nfs/dbraw/zinc/52/39/11/1066523911.db2.gz UOSIROFGWFXQQO-ZDXQCDESSA-N 0 0 469.626 4.681 20 0 JJADRN COc1ccccc1CC(C)(C)NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001456152070 1066524055 /nfs/dbraw/zinc/52/40/55/1066524055.db2.gz YBLCWFFFIGBRJO-UHFFFAOYSA-N 0 0 450.539 4.895 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccccc2SCc2cc(C)no2)CC1 ZINC001456152366 1066524088 /nfs/dbraw/zinc/52/40/88/1066524088.db2.gz WAQXNPVYXNKFHX-HSZRJFAPSA-N 0 0 455.624 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCCCn2cc(Br)cn2)o1 ZINC001361196394 1066523913 /nfs/dbraw/zinc/52/39/13/1066523913.db2.gz PDZILXNVBKLQMG-IYBDPMFKSA-N 0 0 479.448 4.616 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361196252 1066524076 /nfs/dbraw/zinc/52/40/76/1066524076.db2.gz MXAWSIAAGDVDNY-AUUYWEPGSA-N 0 0 473.524 4.522 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSc2ccccc2)o1 ZINC001361196367 1066524090 /nfs/dbraw/zinc/52/40/90/1066524090.db2.gz OZJQZEYSKNLPDB-XLIONFOSSA-N 0 0 483.638 4.988 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 ZINC001444970621 1066524356 /nfs/dbraw/zinc/52/43/56/1066524356.db2.gz KKISATQTWYQFOE-WAIKUNEKSA-N 0 0 456.514 4.989 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H]2CCCS2)cc1Br ZINC001361196684 1066524566 /nfs/dbraw/zinc/52/45/66/1066524566.db2.gz SQSLZOHPDCVVHB-DOTOQJQBSA-N 0 0 465.461 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C4CC4)C3)n2CC(F)(F)F)cc1Br ZINC001361196809 1066524995 /nfs/dbraw/zinc/52/49/95/1066524995.db2.gz UPBAPUZPHXZJIZ-MLGOLLRUSA-N 0 0 459.310 4.582 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001456155996 1066524948 /nfs/dbraw/zinc/52/49/48/1066524948.db2.gz LHFCEUAYWRHQTP-CQSZACIVSA-N 0 0 451.445 4.529 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3C[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972462 1066525177 /nfs/dbraw/zinc/52/51/77/1066525177.db2.gz FWQQJYHJGYUZHN-GOTSBHOMSA-N 0 0 456.608 4.893 20 0 JJADRN 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457.933 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC001444995587 1066527898 /nfs/dbraw/zinc/52/78/98/1066527898.db2.gz BWZKFFUZXCEJRO-SAABIXHNSA-N 0 0 453.539 4.600 20 0 JJADRN O=C(CCc1nc2ccccc2n1-c1ccccc1)N[C@H](CO)c1ccccc1C(F)(F)F ZINC001456170607 1066527966 /nfs/dbraw/zinc/52/79/66/1066527966.db2.gz XDBPFWPGHSWBNE-OAQYLSRUSA-N 0 0 453.464 4.827 20 0 JJADRN CCc1cc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)c2c(CC(C)(C)C)noc2n1 ZINC001456170527 1066528015 /nfs/dbraw/zinc/52/80/15/1066528015.db2.gz OSMNNVJIJYHRBT-UHFFFAOYSA-N 0 0 450.539 4.527 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCS1 ZINC001444997043 1066528317 /nfs/dbraw/zinc/52/83/17/1066528317.db2.gz ZPZNJGPLZZGVPB-AABGKKOBSA-N 0 0 453.048 4.891 20 0 JJADRN C[C@@H](CNC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)Sc1ccccc1 ZINC001444998733 1066528521 /nfs/dbraw/zinc/52/85/21/1066528521.db2.gz OSAGFMDJVHWSRD-OQXXTQHASA-N 0 0 450.670 4.853 20 0 JJADRN 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Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361200206 1066529912 /nfs/dbraw/zinc/52/99/12/1066529912.db2.gz PPKAOAADCCGMCT-SYNHAJSKSA-N 0 0 498.628 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2CC2(O)CCCCC2)o1 ZINC001361200251 1066530070 /nfs/dbraw/zinc/53/00/70/1066530070.db2.gz QWBCGIJJVUTWJU-IBGZPJMESA-N 0 0 487.645 4.671 20 0 JJADRN CC(NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)(c1ccccc1)c1ccccc1 ZINC001456178152 1066530035 /nfs/dbraw/zinc/53/00/35/1066530035.db2.gz JLTFJXUJFVNEAK-UHFFFAOYSA-N 0 0 458.377 4.546 20 0 JJADRN CC(C)(C)c1nc2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2s1 ZINC001445011372 1066529991 /nfs/dbraw/zinc/52/99/91/1066529991.db2.gz YPPKXBDWGBXGMV-UHFFFAOYSA-N 0 0 457.621 4.606 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC001445012716 1066530114 /nfs/dbraw/zinc/53/01/14/1066530114.db2.gz VPFNWUPPRXZDRJ-HNNXBMFYSA-N 0 0 450.954 4.862 20 0 JJADRN Cc1c(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179400 1066530409 /nfs/dbraw/zinc/53/04/09/1066530409.db2.gz NLSKVXLGBFXKCG-PRXAMGSTSA-N 0 0 451.327 4.849 20 0 JJADRN Cc1cc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)n(C2CCOCC2)n1 ZINC001456179180 1066530435 /nfs/dbraw/zinc/53/04/35/1066530435.db2.gz RQSKZFMWKKKQDI-QGZVFWFLSA-N 0 0 450.402 4.615 20 0 JJADRN CCC(CC)(NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC001456178746 1066530467 /nfs/dbraw/zinc/53/04/67/1066530467.db2.gz NQHIICRCUCQTDI-UHFFFAOYSA-N 0 0 454.398 4.626 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545971520 1066530485 /nfs/dbraw/zinc/53/04/85/1066530485.db2.gz ZJJAHDFFXIETBY-FQEVSTJZSA-N 0 0 480.613 4.597 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCc2csc(C)n2)o1 ZINC001361200420 1066530437 /nfs/dbraw/zinc/53/04/37/1066530437.db2.gz WBBRSIQGKXGGFK-WMZOPIPTSA-N 0 0 486.642 4.594 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)c1 ZINC001456179099 1066530503 /nfs/dbraw/zinc/53/05/03/1066530503.db2.gz QDRHQPVMFMWCLV-AREMUKBSSA-N 0 0 452.551 4.559 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCC(=O)NC(C)C)cc1Br ZINC001361200529 1066530862 /nfs/dbraw/zinc/53/08/62/1066530862.db2.gz ZIGRRLPFVBWHOI-GOSISDBHSA-N 0 0 476.463 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361200556 1066530962 /nfs/dbraw/zinc/53/09/62/1066530962.db2.gz ZWKVMUJHQYUEGE-UHFFFAOYSA-N 0 0 467.492 4.977 20 0 JJADRN Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)cc1F ZINC001456179599 1066530926 /nfs/dbraw/zinc/53/09/26/1066530926.db2.gz UPKBIWULTCSNJR-UHFFFAOYSA-N 0 0 456.514 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361201454 1066531048 /nfs/dbraw/zinc/53/10/48/1066531048.db2.gz BMQARCFJZNSPRV-QDTSJYRESA-N 0 0 465.461 4.552 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1C)NC(N)=O ZINC001456181446 1066531339 /nfs/dbraw/zinc/53/13/39/1066531339.db2.gz UKZKQPIAJKTNTP-MRXNPFEDSA-N 0 0 458.278 4.823 20 0 JJADRN C[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)Oc1cccc(Br)c1 ZINC001445035298 1066531395 /nfs/dbraw/zinc/53/13/95/1066531395.db2.gz SKNOKDHWAZFVGM-MRXNPFEDSA-N 0 0 450.336 4.985 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1Br ZINC001445037401 1066531435 /nfs/dbraw/zinc/53/14/35/1066531435.db2.gz UTBNZBFKOFPNFH-UHFFFAOYSA-N 0 0 454.040 4.892 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1 ZINC001456181121 1066531437 /nfs/dbraw/zinc/53/14/37/1066531437.db2.gz VRZYBLUKCMFXEY-KDURUIRLSA-N 0 0 454.567 4.903 20 0 JJADRN COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 ZINC001456184779 1066531941 /nfs/dbraw/zinc/53/19/41/1066531941.db2.gz UIXIJFZPKXVUCL-NSHDSACASA-N 0 0 450.771 4.558 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)no1 ZINC001456181844 1066531974 /nfs/dbraw/zinc/53/19/74/1066531974.db2.gz ARFORADUDRVCCI-VHSXEESVSA-N 0 0 450.775 4.881 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](c4ccccc4)[C@@H]3C)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361201710 1066531995 /nfs/dbraw/zinc/53/19/95/1066531995.db2.gz HWRDOTNUQVDDNJ-ICSRJNTNSA-N 0 0 451.571 4.754 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC001456187394 1066533021 /nfs/dbraw/zinc/53/30/21/1066533021.db2.gz NMLMRXVIOQZEQS-UHFFFAOYSA-N 0 0 456.436 4.673 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)c3ccc(SCCOC)cc3)c(=O)oc2c1 ZINC001456186897 1066533060 /nfs/dbraw/zinc/53/30/60/1066533060.db2.gz XWHIJNJXNUBZKX-KRWDZBQOSA-N 0 0 454.592 4.869 20 0 JJADRN CCOc1ccccc1OCCCC(=O)Nc1c(C)c(Br)ccc1C(=O)OC ZINC001361203359 1066533301 /nfs/dbraw/zinc/53/33/01/1066533301.db2.gz RCRRYSCGPWSOLO-UHFFFAOYSA-N 0 0 450.329 4.741 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4ccccc4)C3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361203223 1066533344 /nfs/dbraw/zinc/53/33/44/1066533344.db2.gz YMNNBHPRERRQGH-HXUWFJFHSA-N 0 0 451.571 4.755 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COCc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456191266 1066533404 /nfs/dbraw/zinc/53/34/04/1066533404.db2.gz GQTLEOCYPYTTKI-AMGIVPHBSA-N 0 0 450.623 4.524 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC001456190179 1066533439 /nfs/dbraw/zinc/53/34/39/1066533439.db2.gz GFWKCIGGPSDGKM-UHFFFAOYSA-N 0 0 452.489 4.745 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001445049779 1066533544 /nfs/dbraw/zinc/53/35/44/1066533544.db2.gz PGRRYPKJKMLVRG-QGZVFWFLSA-N 0 0 454.589 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1Br ZINC001361203970 1066534202 /nfs/dbraw/zinc/53/42/02/1066534202.db2.gz HQQJMUIWJJDHOV-JXFKEZNVSA-N 0 0 488.474 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)CC1 ZINC001445052132 1066534391 /nfs/dbraw/zinc/53/43/91/1066534391.db2.gz IGIRMWGHVPJFFG-UHFFFAOYSA-N 0 0 454.542 4.798 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001445054238 1066534401 /nfs/dbraw/zinc/53/44/01/1066534401.db2.gz VVYBRFFLIIUCJQ-FQEVSTJZSA-N 0 0 458.580 4.515 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001445054242 1066534445 /nfs/dbraw/zinc/53/44/45/1066534445.db2.gz VVYBRFFLIIUCJQ-HXUWFJFHSA-N 0 0 458.580 4.515 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4nccs4)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361204226 1066534606 /nfs/dbraw/zinc/53/46/06/1066534606.db2.gz QDUMFVMHLYFYSG-MRXNPFEDSA-N 0 0 486.642 4.848 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456198635 1066535140 /nfs/dbraw/zinc/53/51/40/1066535140.db2.gz XCQYDHXGVLCQRG-DFBJGRDBSA-N 0 0 450.623 4.938 20 0 JJADRN CCn1cc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c(C(F)(F)F)n1 ZINC001456198280 1066535247 /nfs/dbraw/zinc/53/52/47/1066535247.db2.gz AARZMXBWHLHPEX-UHFFFAOYSA-N 0 0 452.477 4.540 20 0 JJADRN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001445059558 1066535206 /nfs/dbraw/zinc/53/52/06/1066535206.db2.gz ZEAYSEABQMMLTQ-UHFFFAOYSA-N 0 0 454.939 4.826 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001456199520 1066535823 /nfs/dbraw/zinc/53/58/23/1066535823.db2.gz HUCXQWOVARBLIA-UHFFFAOYSA-N 0 0 454.995 4.651 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199879 1066535914 /nfs/dbraw/zinc/53/59/14/1066535914.db2.gz YYRLOGZVEWWQFI-NLFFAJNJSA-N 0 0 450.627 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](COc4ccccc4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361204983 1066536044 /nfs/dbraw/zinc/53/60/44/1066536044.db2.gz AQGUCBBOKDDDLK-QUCCMNQESA-N 0 0 481.597 4.665 20 0 JJADRN Cc1cc(C(=O)NCc2c(Cl)cc(Br)cc2Cl)c(C)n1-c1cnccn1 ZINC001456200364 1066536180 /nfs/dbraw/zinc/53/61/80/1066536180.db2.gz XENCPCFLGQMTIO-UHFFFAOYSA-N 0 0 454.155 4.883 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1Br ZINC001456201989 1066536736 /nfs/dbraw/zinc/53/67/36/1066536736.db2.gz POFMQSPJKIONCY-LLVKDONJSA-N 0 0 454.162 4.531 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(COc4ccccc4)CC3)n2CCN(C)CC(F)(F)F)o1 ZINC001361205657 1066537353 /nfs/dbraw/zinc/53/73/53/1066537353.db2.gz OTHRKHMJZXFDJJ-UHFFFAOYSA-N 0 0 477.531 4.636 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](COc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361205574 1066537405 /nfs/dbraw/zinc/53/74/05/1066537405.db2.gz LXUQZXFHHZHZER-HNNXBMFYSA-N 0 0 467.314 4.740 20 0 JJADRN Cc1cccc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1I ZINC001456205620 1066537683 /nfs/dbraw/zinc/53/76/83/1066537683.db2.gz XCJRNJKCSXNIDO-KRWDZBQOSA-N 0 0 455.311 4.962 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456206235 1066537698 /nfs/dbraw/zinc/53/76/98/1066537698.db2.gz ZJKYLZXCJUBFPG-SFHVURJKSA-N 0 0 455.311 4.962 20 0 JJADRN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC001456208106 1066537734 /nfs/dbraw/zinc/53/77/34/1066537734.db2.gz GERWYDIOORIYNB-GOSISDBHSA-N 0 0 451.405 4.729 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccncc4)c3)cc2)CC1 ZINC001456209232 1066538035 /nfs/dbraw/zinc/53/80/35/1066538035.db2.gz YQPIYZVFZQDIJT-UHFFFAOYSA-N 0 0 451.548 4.547 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001456208980 1066538094 /nfs/dbraw/zinc/53/80/94/1066538094.db2.gz FYIYOSIHNYTDCI-BZNIZROVSA-N 0 0 458.436 4.793 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)o1 ZINC001361206377 1066538323 /nfs/dbraw/zinc/53/83/23/1066538323.db2.gz LALURIKMGRNMLG-GUYCJALGSA-N 0 0 454.386 4.621 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2OC)[nH]c1=O ZINC001456211338 1066538521 /nfs/dbraw/zinc/53/85/21/1066538521.db2.gz FSAGNUNNBUWRMT-UHFFFAOYSA-N 0 0 453.926 4.607 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445092359 1066538685 /nfs/dbraw/zinc/53/86/85/1066538685.db2.gz LDQZPDVKVURTIS-UHFFFAOYSA-N 0 0 458.628 4.668 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCCCCC2CCCC2)c1 ZINC001361206680 1066538762 /nfs/dbraw/zinc/53/87/62/1066538762.db2.gz VGWQEZNJIOOCSF-UHFFFAOYSA-N 0 0 458.624 4.919 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC001456215944 1066538993 /nfs/dbraw/zinc/53/89/93/1066538993.db2.gz QWIARJRZLLOLNB-HNNXBMFYSA-N 0 0 458.580 4.613 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(F)c1I ZINC001456215730 1066539130 /nfs/dbraw/zinc/53/91/30/1066539130.db2.gz WUUDVBPWMWUCIS-UHFFFAOYSA-N 0 0 454.283 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2cccnc2)C(C)C)o1 ZINC001361207012 1066539132 /nfs/dbraw/zinc/53/91/32/1066539132.db2.gz FVVYHPAGKHYQHC-LEWJYISDSA-N 0 0 480.613 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361207091 1066539249 /nfs/dbraw/zinc/53/92/49/1066539249.db2.gz IIRKFAZSPHWEDQ-SFHVURJKSA-N 0 0 486.642 4.608 20 0 JJADRN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001456217333 1066539508 /nfs/dbraw/zinc/53/95/08/1066539508.db2.gz VVSCJVUYSKUNFS-GOSISDBHSA-N 0 0 451.405 4.729 20 0 JJADRN Cc1cc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001456217597 1066539602 /nfs/dbraw/zinc/53/96/02/1066539602.db2.gz BGNQVRMMUHXPSP-OAHLLOKOSA-N 0 0 453.370 4.569 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccoc2CC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545972178 1066539706 /nfs/dbraw/zinc/53/97/06/1066539706.db2.gz ARAWLVBSYARCRQ-LJQANCHMSA-N 0 0 482.629 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2ncc(C)s2)o1 ZINC001361207116 1066539688 /nfs/dbraw/zinc/53/96/88/1066539688.db2.gz JNCFGJWNODMBNB-QAPCUYQASA-N 0 0 486.642 4.861 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(N(C)c4ccccc4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361207193 1066539711 /nfs/dbraw/zinc/53/97/11/1066539711.db2.gz MQHXLRXNLXYVAU-UHFFFAOYSA-N 0 0 463.504 4.878 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)NCC3(c4ccc(C(C)C)cc4)CCCC3)C2)c1 ZINC001456219556 1066539832 /nfs/dbraw/zinc/53/98/32/1066539832.db2.gz LYISRWFLRWMDGV-VWLOTQADSA-N 0 0 450.579 4.948 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)s2)cc1 ZINC001456220449 1066539968 /nfs/dbraw/zinc/53/99/68/1066539968.db2.gz REGMMRRDQJWXFY-UHFFFAOYSA-N 0 0 455.605 4.553 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)Oc2cccc(F)c2)o1 ZINC001361207329 1066540048 /nfs/dbraw/zinc/54/00/48/1066540048.db2.gz QBJPVJRKBRUGPX-ICSRJNTNSA-N 0 0 499.587 4.899 20 0 JJADRN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001456224052 1066540487 /nfs/dbraw/zinc/54/04/87/1066540487.db2.gz LFNBHNSGJLSGNC-OAHLLOKOSA-N 0 0 453.967 4.768 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)o1 ZINC001361207560 1066540624 /nfs/dbraw/zinc/54/06/24/1066540624.db2.gz VMEXVVWZFVUBMF-FQEVSTJZSA-N 0 0 451.571 4.649 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@H](c4ccccc4C)C(C)C)cnc32)c(OC)c1 ZINC001456226347 1066540734 /nfs/dbraw/zinc/54/07/34/1066540734.db2.gz PMTFXXNRVXBOCL-VWLOTQADSA-N 0 0 458.562 4.932 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001456229119 1066540744 /nfs/dbraw/zinc/54/07/44/1066540744.db2.gz KDKMOZUHAZFPAF-JOCHJYFZSA-N 0 0 450.580 4.784 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cn1 ZINC001456228432 1066540845 /nfs/dbraw/zinc/54/08/45/1066540845.db2.gz UPKLOYDSBCXEQD-UHFFFAOYSA-N 0 0 458.580 4.537 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)c4cc(C)oc4C)CC3)n2CCCOCC(C)C)o1 ZINC001361207737 1066540985 /nfs/dbraw/zinc/54/09/85/1066540985.db2.gz XQLZFDWSOSONDX-UHFFFAOYSA-N 0 0 483.613 4.518 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 ZINC001456230865 1066541258 /nfs/dbraw/zinc/54/12/58/1066541258.db2.gz QERZUMHFHQBYFB-SCWSEQNSSA-N 0 0 468.352 4.891 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)OC ZINC001545972390 1066541642 /nfs/dbraw/zinc/54/16/42/1066541642.db2.gz FGWFIHIRHRUQKJ-LJQANCHMSA-N 0 0 496.965 4.707 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2Cc2cc(Br)cs2)o1 ZINC001361208987 1066541733 /nfs/dbraw/zinc/54/17/33/1066541733.db2.gz IXCATJKGWFKBTQ-INIZCTEOSA-N 0 0 465.417 4.970 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccsc2Br)o1 ZINC001361209231 1066542186 /nfs/dbraw/zinc/54/21/86/1066542186.db2.gz QAFBYUWNPGYFDB-UHFFFAOYSA-N 0 0 491.333 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC001445167817 1066542379 /nfs/dbraw/zinc/54/23/79/1066542379.db2.gz WUZBNYRUKNOBTP-UHFFFAOYSA-N 0 0 453.564 4.555 20 0 JJADRN Cn1nc2c(c1C(=O)Nc1ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c1)CSCC2 ZINC001456240055 1066542796 /nfs/dbraw/zinc/54/27/96/1066542796.db2.gz IYHGOXRSKKHCBN-UHFFFAOYSA-N 0 0 452.433 4.807 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)NCc1ccccc1OC(C)(C)C ZINC001361209620 1066543200 /nfs/dbraw/zinc/54/32/00/1066543200.db2.gz FRRZVOTWQOPNMS-JOCHJYFZSA-N 0 0 454.567 4.851 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)o1 ZINC001361210121 1066543276 /nfs/dbraw/zinc/54/32/76/1066543276.db2.gz BFCLOEWRLULKLN-UHFFFAOYSA-N 0 0 499.413 4.914 20 0 JJADRN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241261 1066543174 /nfs/dbraw/zinc/54/31/74/1066543174.db2.gz AMXAIZSJXXLDEM-XJKSGUPXSA-N 0 0 452.338 4.553 20 0 JJADRN COc1ccc2cc(C(=O)N3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)c(C)nc2c1 ZINC001445175736 1066543182 /nfs/dbraw/zinc/54/31/82/1066543182.db2.gz ISACVQBKKIKHFI-UHFFFAOYSA-N 0 0 453.583 4.804 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2coc(=O)c3ccccc23)cc1Cl)c1ccncc1 ZINC001456241283 1066543311 /nfs/dbraw/zinc/54/33/11/1066543311.db2.gz APCBILGMEDSVPR-UHFFFAOYSA-N 0 0 454.269 4.999 20 0 JJADRN Cc1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1NC(=O)Nc1ccccc1 ZINC001445176250 1066543353 /nfs/dbraw/zinc/54/33/53/1066543353.db2.gz RVMWWILROSBHGX-HSZRJFAPSA-N 0 0 451.567 4.829 20 0 JJADRN Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1NC(=O)Nc1ccccc1 ZINC001445176252 1066543377 /nfs/dbraw/zinc/54/33/77/1066543377.db2.gz RVMWWILROSBHGX-QHCPKHFHSA-N 0 0 451.567 4.829 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)C2)c1 ZINC001445176513 1066543454 /nfs/dbraw/zinc/54/34/54/1066543454.db2.gz UZVZEAJQHNDALE-AOOMUMSASA-N 0 0 452.551 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361210170 1066543582 /nfs/dbraw/zinc/54/35/82/1066543582.db2.gz CNBAVJDTHMYDGG-IERDGZPVSA-N 0 0 452.477 4.743 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001456241880 1066543584 /nfs/dbraw/zinc/54/35/84/1066543584.db2.gz MAXMFLONKPWDCU-HNNXBMFYSA-N 0 0 457.449 4.672 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001456241884 1066543725 /nfs/dbraw/zinc/54/37/25/1066543725.db2.gz MAXMFLONKPWDCU-OAHLLOKOSA-N 0 0 457.449 4.672 20 0 JJADRN COC[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1cccc(C(F)(F)F)c1 ZINC001456241749 1066543824 /nfs/dbraw/zinc/54/38/24/1066543824.db2.gz HFBHDBQTFPIGBM-HNNXBMFYSA-N 0 0 452.217 4.793 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)cc2)c(OC)c1 ZINC001445178758 1066543883 /nfs/dbraw/zinc/54/38/83/1066543883.db2.gz YWKPTIZWJLLLHK-HSZRJFAPSA-N 0 0 454.567 4.638 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)c3cc4ccc(Br)cc4c(=O)o3)s2)c1 ZINC001456243641 1066543837 /nfs/dbraw/zinc/54/38/37/1066543837.db2.gz AOBUTYGAOKPCHT-UHFFFAOYSA-N 0 0 456.321 4.943 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2nn(CC)cc2Br)cc1 ZINC001456244034 1066544339 /nfs/dbraw/zinc/54/43/39/1066544339.db2.gz NJMMNVZQCQFOJW-MOPGFXCFSA-N 0 0 450.377 4.574 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)s1 ZINC001445186595 1066544398 /nfs/dbraw/zinc/54/43/98/1066544398.db2.gz TVOMGDDXTMGKLA-UHFFFAOYSA-N 0 0 451.633 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCCC(=O)N(C)C)cc1Br ZINC001361210667 1066544590 /nfs/dbraw/zinc/54/45/90/1066544590.db2.gz REYKHIYYAXKXSK-LJQANCHMSA-N 0 0 476.463 4.757 20 0 JJADRN Cc1c(Br)cncc1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001456244794 1066544770 /nfs/dbraw/zinc/54/47/70/1066544770.db2.gz LVHNJYNNFVLAED-UHFFFAOYSA-N 0 0 455.352 4.883 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc4cccc(Br)c43)C2)c1 ZINC001361211532 1066545129 /nfs/dbraw/zinc/54/51/29/1066545129.db2.gz RPELADCLKWIOBO-INIZCTEOSA-N 0 0 455.352 4.628 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545972587 1066545145 /nfs/dbraw/zinc/54/51/45/1066545145.db2.gz IVFVCRFMGDOJKH-KSEOMHKRSA-N 0 0 478.641 4.969 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC ZINC001456246062 1066545210 /nfs/dbraw/zinc/54/52/10/1066545210.db2.gz GNDCSLZFOSFFSZ-DCLXLUIPSA-N 0 0 453.970 4.749 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC001456247019 1066545239 /nfs/dbraw/zinc/54/52/39/1066545239.db2.gz GSECGBIGCBUYFQ-GGAORHGYSA-N 0 0 452.551 4.670 20 0 JJADRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)C1 ZINC001445210086 1066545188 /nfs/dbraw/zinc/54/51/88/1066545188.db2.gz PZRDDWXARLSSMQ-WBVDLGDASA-N 0 0 450.029 4.858 20 0 JJADRN CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC001445209750 1066545357 /nfs/dbraw/zinc/54/53/57/1066545357.db2.gz DCSDDHISJPYFIQ-UGKGYDQZSA-N 0 0 459.656 4.866 20 0 JJADRN CC(C)(CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc(F)c1 ZINC001456248161 1066545667 /nfs/dbraw/zinc/54/56/67/1066545667.db2.gz RLFQJPRZJRKNDK-UHFFFAOYSA-N 0 0 450.476 4.791 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C ZINC001456248069 1066545694 /nfs/dbraw/zinc/54/56/94/1066545694.db2.gz DHOPCFWCRUAGPT-ZIAGYGMSSA-N 0 0 458.475 4.571 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@H](c3ccncc3)C3CCCCC3)CC2)cs1 ZINC001445218727 1066546256 /nfs/dbraw/zinc/54/62/56/1066546256.db2.gz XCMWRRMTOIZCNG-CVDCTZTESA-N 0 0 456.656 4.644 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361212090 1066546449 /nfs/dbraw/zinc/54/64/49/1066546449.db2.gz GVSXDZLYRZXYCU-SFTDATJTSA-N 0 0 487.645 4.794 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(Br)ccc3NC3CC3)cc2n1 ZINC001445220909 1066546562 /nfs/dbraw/zinc/54/65/62/1066546562.db2.gz WUHGWDCMFJTRSZ-UHFFFAOYSA-N 0 0 454.250 4.646 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361212088 1066546550 /nfs/dbraw/zinc/54/65/50/1066546550.db2.gz GVSXDZLYRZXYCU-NHCUHLMSSA-N 0 0 487.645 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cn2)o1 ZINC001361212056 1066546561 /nfs/dbraw/zinc/54/65/61/1066546561.db2.gz GHVRHMAHVWDSFH-GOSISDBHSA-N 0 0 484.576 4.512 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001545972691 1066546685 /nfs/dbraw/zinc/54/66/85/1066546685.db2.gz KPMIECHINIXAPM-JOCHJYFZSA-N 0 0 478.641 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CCC(=O)NC(C)C)cc1Br ZINC001361212369 1066546867 /nfs/dbraw/zinc/54/68/67/1066546867.db2.gz MGFALPGQRCXBCB-MRXNPFEDSA-N 0 0 462.436 4.557 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N(Cc2cc(F)ccc2F)c2ccccc2)cc1 ZINC001456253102 1066546885 /nfs/dbraw/zinc/54/68/85/1066546885.db2.gz NOQMNSBQPWQVPF-UHFFFAOYSA-N 0 0 458.530 4.889 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1)C(C)C ZINC001456252535 1066546927 /nfs/dbraw/zinc/54/69/27/1066546927.db2.gz QDKUFNFVFRIOPN-UHFFFAOYSA-N 0 0 457.615 4.809 20 0 JJADRN Nc1cc(Br)cc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1N ZINC001445226898 1066547120 /nfs/dbraw/zinc/54/71/20/1066547120.db2.gz LTBIQZFWHAGBAE-GFCCVEGCSA-N 0 0 459.171 4.604 20 0 JJADRN Cn1c(C(=O)N2CCc3c(F)ccc(F)c3C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001445228492 1066547128 /nfs/dbraw/zinc/54/71/28/1066547128.db2.gz GYBMBFAVYIWHKR-NRFANRHFSA-N 0 0 459.537 4.964 20 0 JJADRN CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1ccccc1C(=O)OC ZINC001456254097 1066547547 /nfs/dbraw/zinc/54/75/47/1066547547.db2.gz SLQGCDWSCPEYDS-UHFFFAOYSA-N 0 0 456.498 4.557 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CCCOC[C@H]2CCCO2)cc1Br ZINC001361212490 1066547497 /nfs/dbraw/zinc/54/74/97/1066547497.db2.gz MVEUQFVYBGUZCF-YLJYHZDGSA-N 0 0 477.447 4.838 20 0 JJADRN O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229308 1066547670 /nfs/dbraw/zinc/54/76/70/1066547670.db2.gz AETCAWLIDXGCJI-QZTJIDSGSA-N 0 0 451.325 4.555 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)c(F)cc2I)c(OCC2CC2)c1 ZINC001361212789 1066547889 /nfs/dbraw/zinc/54/78/89/1066547889.db2.gz JQBZDRPYBCXXME-UHFFFAOYSA-N 0 0 459.230 4.619 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccc(C)c3C)c2)cc1 ZINC001456255061 1066547892 /nfs/dbraw/zinc/54/78/92/1066547892.db2.gz LVVLWSYVSFGOBC-LJQANCHMSA-N 0 0 452.576 4.628 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445230827 1066547982 /nfs/dbraw/zinc/54/79/82/1066547982.db2.gz FUIHWUQSSOLXMP-SUMWQHHRSA-N 0 0 455.769 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ccc3[nH]c(CC4CCCCC4)nc3c2)C1 ZINC001445230549 1066547993 /nfs/dbraw/zinc/54/79/93/1066547993.db2.gz DGQLDTNFEJRUKX-IBGZPJMESA-N 0 0 456.587 4.650 20 0 JJADRN COc1cc(/C=C\C(=O)Nc2ccccc2-c2nncn2C(C)C)cc(Br)c1O ZINC001445230008 1066548043 /nfs/dbraw/zinc/54/80/43/1066548043.db2.gz XPDKDMRKUZXSAE-HJWRWDBZSA-N 0 0 457.328 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)n2CCCC(=O)N(C)C)o1 ZINC001361213490 1066548224 /nfs/dbraw/zinc/54/82/24/1066548224.db2.gz YCWSAZHJQCFQCM-HNNXBMFYSA-N 0 0 496.559 4.574 20 0 JJADRN O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccc(I)cc1 ZINC001456257029 1066548425 /nfs/dbraw/zinc/54/84/25/1066548425.db2.gz RPYSMTYNDRFFKC-UHFFFAOYSA-N 0 0 453.345 4.956 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)c1 ZINC001456258710 1066548496 /nfs/dbraw/zinc/54/84/96/1066548496.db2.gz FSMIBCVEUFXDPY-FYJGNVAPSA-N 0 0 454.482 4.915 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001445236180 1066548501 /nfs/dbraw/zinc/54/85/01/1066548501.db2.gz FAFMKZSXZYLIHL-FQEVSTJZSA-N 0 0 451.910 4.678 20 0 JJADRN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC2CCCC2)c1 ZINC001445244527 1066548911 /nfs/dbraw/zinc/54/89/11/1066548911.db2.gz YDYGXKAYAGAMLE-FQEVSTJZSA-N 0 0 451.567 4.577 20 0 JJADRN COCCc1nc2cc(NC(=O)c3cc(OC)ccc3OCC(F)(F)C(F)F)ccc2o1 ZINC001445260782 1066549548 /nfs/dbraw/zinc/54/95/48/1066549548.db2.gz IGDMNOFPPKCQLV-UHFFFAOYSA-N 0 0 456.392 4.557 20 0 JJADRN COCCc1nc2cc(NC(=O)c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc2o1 ZINC001445259135 1066549684 /nfs/dbraw/zinc/54/96/84/1066549684.db2.gz BTYLOKSAEPKQFM-UHFFFAOYSA-N 0 0 451.523 4.957 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)c2ccccc2)o1 ZINC001361214068 1066549675 /nfs/dbraw/zinc/54/96/75/1066549675.db2.gz HXTAOTUJNZNGLJ-FPOVZHCZSA-N 0 0 494.640 4.865 20 0 JJADRN Cc1sc2ncn(CCC(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)c(=O)c2c1C ZINC001456266124 1066549754 /nfs/dbraw/zinc/54/97/54/1066549754.db2.gz OTGUPICOMCFWGS-OAHLLOKOSA-N 0 0 458.889 4.835 20 0 JJADRN Cc1ccc(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC001456266505 1066549831 /nfs/dbraw/zinc/54/98/31/1066549831.db2.gz BJMFVBNMRHIQQN-RUZDIDTESA-N 0 0 455.530 4.669 20 0 JJADRN CN(C)c1cccc(CCC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001456266693 1066550340 /nfs/dbraw/zinc/55/03/40/1066550340.db2.gz DUGRVTPCWBQSNO-UHFFFAOYSA-N 0 0 458.530 4.576 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[C@](C)(O)c2ccccc2)o1 ZINC001361214598 1066550650 /nfs/dbraw/zinc/55/06/50/1066550650.db2.gz SKUSJUGFZAURFX-XXBNENTESA-N 0 0 478.515 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3(C)C)n2CCN2CCOC(C)(C)C2)cc1Br ZINC001361214511 1066550666 /nfs/dbraw/zinc/55/06/66/1066550666.db2.gz QVRRVRAGRFOWIB-UHFFFAOYSA-N 0 0 476.463 4.506 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1)c1cccs1 ZINC001445268315 1066550880 /nfs/dbraw/zinc/55/08/80/1066550880.db2.gz GCABZWUXZMHTEB-GFCCVEGCSA-N 0 0 459.736 4.884 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2c(Br)cccc2Br)cc1 ZINC001456269901 1066551195 /nfs/dbraw/zinc/55/11/95/1066551195.db2.gz RJTGKAOWSCKUEX-UHFFFAOYSA-N 0 0 456.134 4.662 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2Cc2ccc(C(C)(F)F)cc2)o1 ZINC001361214654 1066551219 /nfs/dbraw/zinc/55/12/19/1066551219.db2.gz UKRRICKEJLYBQY-FQEVSTJZSA-N 0 0 485.579 4.995 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCSC2)o1 ZINC001361214743 1066551241 /nfs/dbraw/zinc/55/12/41/1066551241.db2.gz WJXYSYRTZINGOL-OALUTQOASA-N 0 0 475.659 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCCC2(F)F)o1 ZINC001361214656 1066551256 /nfs/dbraw/zinc/55/12/56/1066551256.db2.gz ULUNVHFKWCBMPY-MSOLQXFVSA-N 0 0 463.573 4.803 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001456270564 1066551223 /nfs/dbraw/zinc/55/12/23/1066551223.db2.gz ZINLRWPTQULUEN-MOPGFXCFSA-N 0 0 457.832 4.567 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1OCC1CC1 ZINC001456270350 1066551276 /nfs/dbraw/zinc/55/12/76/1066551276.db2.gz NLGDKBQFBXRDEX-UHFFFAOYSA-N 0 0 457.498 4.980 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2)o1 ZINC001361214759 1066551658 /nfs/dbraw/zinc/55/16/58/1066551658.db2.gz WOKURHWJOHOXHS-HXUWFJFHSA-N 0 0 469.561 4.722 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)s2)cc1OC ZINC001445277429 1066551804 /nfs/dbraw/zinc/55/18/04/1066551804.db2.gz SOAGLUTXHMJAMQ-IAGOWNOFSA-N 0 0 458.605 4.926 20 0 JJADRN Cc1cc(Br)cc2c1N(C(=O)c1cncc3nc(C(F)(F)F)n(C)c31)CCC2 ZINC001361215715 1066552027 /nfs/dbraw/zinc/55/20/27/1066552027.db2.gz QSWUPRYETTWJSZ-UHFFFAOYSA-N 0 0 453.262 4.651 20 0 JJADRN Cc1c(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1F ZINC001361215914 1066552141 /nfs/dbraw/zinc/55/21/41/1066552141.db2.gz TZLWWBFULZLGCO-UHFFFAOYSA-N 0 0 452.427 4.639 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2cn3cc(Cl)cc(Cl)c3n2)cc1OC ZINC001456273618 1066552256 /nfs/dbraw/zinc/55/22/56/1066552256.db2.gz IFXBQFPMAZVLMS-UHFFFAOYSA-N 0 0 450.366 4.999 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCSc2ccccc2)o1 ZINC001361216904 1066552520 /nfs/dbraw/zinc/55/25/20/1066552520.db2.gz AUGRUPDLTDPFDP-UHFFFAOYSA-N 0 0 467.639 4.724 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3CCC[C@H]3c3ccc(Br)cc3)cc21 ZINC001445283361 1066552796 /nfs/dbraw/zinc/55/27/96/1066552796.db2.gz GSGJXDBUQHAHKS-KRWDZBQOSA-N 0 0 459.340 4.934 20 0 JJADRN CC[C@H](CNC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1)Oc1ccccc1C(F)(F)F ZINC001445282277 1066552897 /nfs/dbraw/zinc/55/28/97/1066552897.db2.gz BULISBUHZNROTH-XMSQKQJNSA-N 0 0 450.501 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCCCS2)cc1Br ZINC001361217393 1066552932 /nfs/dbraw/zinc/55/29/32/1066552932.db2.gz IEDGWMAFRBSKID-KRWDZBQOSA-N 0 0 451.434 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361217335 1066553055 /nfs/dbraw/zinc/55/30/55/1066553055.db2.gz BYICCAXRKNJYAL-RBUKOAKNSA-N 0 0 474.447 4.556 20 0 JJADRN CC(C)NC(=O)Nc1cccc(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)c1 ZINC001456275996 1066553374 /nfs/dbraw/zinc/55/33/74/1066553374.db2.gz CFWZYVRDVGYEKU-UHFFFAOYSA-N 0 0 450.764 4.831 20 0 JJADRN O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CC[C@@H](C(F)(F)F)C1 ZINC001456275661 1066553446 /nfs/dbraw/zinc/55/34/46/1066553446.db2.gz GOQUQRCFWWJFSL-CYBMUJFWSA-N 0 0 453.511 4.708 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)cc1OC ZINC001456276411 1066553486 /nfs/dbraw/zinc/55/34/86/1066553486.db2.gz PZGHQNDXTAVQCJ-IBVKSMDESA-N 0 0 460.615 4.521 20 0 JJADRN O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001456277040 1066553751 /nfs/dbraw/zinc/55/37/51/1066553751.db2.gz KCJMJAUOMPMDAG-TWGQIWQCSA-N 0 0 452.337 4.909 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N(CC)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001545973317 1066554352 /nfs/dbraw/zinc/55/43/52/1066554352.db2.gz WZPQTWLJMKZFNP-FQEVSTJZSA-N 0 0 452.603 4.613 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)cc2C1=O ZINC001445291652 1066554396 /nfs/dbraw/zinc/55/43/96/1066554396.db2.gz YXGGPOKFKBQSOV-HXUWFJFHSA-N 0 0 455.352 4.823 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001456283945 1066555119 /nfs/dbraw/zinc/55/51/19/1066555119.db2.gz OXVBPAHGQUWMOC-HNNXBMFYSA-N 0 0 458.427 4.859 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2c1 ZINC001456284515 1066555265 /nfs/dbraw/zinc/55/52/65/1066555265.db2.gz XWARBNYNUZHCPL-UHFFFAOYSA-N 0 0 451.498 4.933 20 0 JJADRN O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001456284207 1066555309 /nfs/dbraw/zinc/55/53/09/1066555309.db2.gz WYGJCIKWYJGIDT-KTKRTIGZSA-N 0 0 459.618 4.802 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCc2ccn(C)n2)cc1Br ZINC001361218413 1066555296 /nfs/dbraw/zinc/55/52/96/1066555296.db2.gz NIRVWFQCHFLOPQ-FQEVSTJZSA-N 0 0 457.420 4.617 20 0 JJADRN CC[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)Oc1ccccc1F ZINC001445293292 1066555611 /nfs/dbraw/zinc/55/56/11/1066555611.db2.gz LCETXUODOUUHHS-GJZGRUSLSA-N 0 0 457.571 4.567 20 0 JJADRN CC[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)Oc1ccccc1F ZINC001445293303 1066555623 /nfs/dbraw/zinc/55/56/23/1066555623.db2.gz LCETXUODOUUHHS-LSDHHAIUSA-N 0 0 457.571 4.567 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545973450 1066555637 /nfs/dbraw/zinc/55/56/37/1066555637.db2.gz ZCLRUXHIDPTZRI-UNMCSNQZSA-N 0 0 480.588 4.776 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NC[C@@H](c3ccc(Cl)cc3)n3cccn3)c2)n1 ZINC001445316405 1066556218 /nfs/dbraw/zinc/55/62/18/1066556218.db2.gz ZXTANFFQQLETRB-NRFANRHFSA-N 0 0 451.983 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CC(F)(F)F)cc1Br ZINC001361219331 1066556279 /nfs/dbraw/zinc/55/62/79/1066556279.db2.gz XNWPAQLWSNBULZ-MRXNPFEDSA-N 0 0 469.309 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)cc1Br ZINC001361219490 1066556358 /nfs/dbraw/zinc/55/63/58/1066556358.db2.gz ZULQVWANIXLBCQ-UHFFFAOYSA-N 0 0 496.335 4.537 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2(c3ccccc3)CC3(CCC3)C2)CC1 ZINC001445328042 1066557263 /nfs/dbraw/zinc/55/72/63/1066557263.db2.gz MVVHZHZTRKTWIJ-UHFFFAOYSA-N 0 0 456.627 4.811 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC001456295938 1066557413 /nfs/dbraw/zinc/55/74/13/1066557413.db2.gz CGRBBBUDGGIRHP-VWLOTQADSA-N 0 0 455.603 4.797 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)CC1 ZINC001445333090 1066558416 /nfs/dbraw/zinc/55/84/16/1066558416.db2.gz VMDYFVVMXGKJTG-UHFFFAOYSA-N 0 0 454.011 4.569 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC001361220853 1066558511 /nfs/dbraw/zinc/55/85/11/1066558511.db2.gz GQLVLYZGYHAVHT-UHFFFAOYSA-N 0 0 475.952 4.602 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCc2csc(C(C)C)n2)o1 ZINC001361220768 1066558553 /nfs/dbraw/zinc/55/85/53/1066558553.db2.gz CZGBMYPMFBXSQL-INIZCTEOSA-N 0 0 482.576 4.742 20 0 JJADRN C[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ccccc1Br ZINC001445337192 1066558774 /nfs/dbraw/zinc/55/87/74/1066558774.db2.gz KZQVSGMSPMHUDK-YOEHRIQHSA-N 0 0 457.409 4.662 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341095 1066559351 /nfs/dbraw/zinc/55/93/51/1066559351.db2.gz YLOBIMPDUPZPBN-BEFAXECRSA-N 0 0 451.792 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCCCS2)o1 ZINC001361221412 1066559972 /nfs/dbraw/zinc/55/99/72/1066559972.db2.gz YMCKMUOJICCZFX-FUHWJXTLSA-N 0 0 461.632 4.578 20 0 JJADRN C=CC(=O)Nc1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)ccc1F ZINC001445343946 1066560038 /nfs/dbraw/zinc/56/00/38/1066560038.db2.gz GAGYFMFPOPTKLW-YGFACIEFSA-N 0 0 453.514 4.514 20 0 JJADRN O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445343601 1066560146 /nfs/dbraw/zinc/56/01/46/1066560146.db2.gz DBKXLVFYCHEFGV-IBGZPJMESA-N 0 0 458.864 4.711 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001456306496 1066560069 /nfs/dbraw/zinc/56/00/69/1066560069.db2.gz LBTLSFAHJKGOJU-SFHVURJKSA-N 0 0 455.769 4.619 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(Br)cc3nc[nH]c32)n1 ZINC001445344957 1066560585 /nfs/dbraw/zinc/56/05/85/1066560585.db2.gz IOOMVHPSPXKOER-UHFFFAOYSA-N 0 0 450.340 4.575 20 0 JJADRN NC(=O)c1ccn(-c2ccccc2NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)n1 ZINC001456309314 1066560596 /nfs/dbraw/zinc/56/05/96/1066560596.db2.gz DBBUSHKOHFVPMQ-UHFFFAOYSA-N 0 0 458.330 4.654 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)cc2)cc1 ZINC001456313713 1066560826 /nfs/dbraw/zinc/56/08/26/1066560826.db2.gz XSHMVMCCUAEQIX-UHFFFAOYSA-N 0 0 459.546 4.894 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445352519 1066561064 /nfs/dbraw/zinc/56/10/64/1066561064.db2.gz SSOQBDCBYSVFAL-JOCHJYFZSA-N 0 0 453.888 4.748 20 0 JJADRN O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001445347744 1066561096 /nfs/dbraw/zinc/56/10/96/1066561096.db2.gz FSVFSFLDDNJNEI-SFHVURJKSA-N 0 0 459.771 4.771 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)c3cccc(CC(C)C)c3)CC2)cc1 ZINC001456314696 1066561108 /nfs/dbraw/zinc/56/11/08/1066561108.db2.gz AYUBAKWEDNHGGA-YADHBBJMSA-N 0 0 450.623 4.689 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001456315344 1066561273 /nfs/dbraw/zinc/56/12/73/1066561273.db2.gz BTULABPZYOEGBO-UHFFFAOYSA-N 0 0 451.324 4.674 20 0 JJADRN O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001445355905 1066561530 /nfs/dbraw/zinc/56/15/30/1066561530.db2.gz WRPROPFDONTUAP-OAHLLOKOSA-N 0 0 457.073 4.936 20 0 JJADRN O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1csc(Cc2ccccc2F)n1 ZINC001445357740 1066561629 /nfs/dbraw/zinc/56/16/29/1066561629.db2.gz ZOFLXXHWPVTLJC-IBGZPJMESA-N 0 0 458.864 4.706 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001456318662 1066561696 /nfs/dbraw/zinc/56/16/96/1066561696.db2.gz LHJXPBJBCSZJKL-YRJQNMBXSA-N 0 0 450.963 4.543 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001445357136 1066561774 /nfs/dbraw/zinc/56/17/74/1066561774.db2.gz YCUMZYDTFDBDOJ-MRXNPFEDSA-N 0 0 454.645 4.730 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)NCc3ccnc(OC4CCOCC4)c3)cc2)cs1 ZINC001456316492 1066561803 /nfs/dbraw/zinc/56/18/03/1066561803.db2.gz INNPTKQTJDZFOB-UHFFFAOYSA-N 0 0 455.605 4.627 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001456318659 1066561811 /nfs/dbraw/zinc/56/18/11/1066561811.db2.gz LHJXPBJBCSZJKL-PSVRVRDFSA-N 0 0 450.963 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCO[C@H](C)c2ccccc2)o1 ZINC001361223895 1066562076 /nfs/dbraw/zinc/56/20/76/1066562076.db2.gz BQBUICYXBLGZHP-LJQANCHMSA-N 0 0 477.531 4.699 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545974285 1066562188 /nfs/dbraw/zinc/56/21/88/1066562188.db2.gz UDMBLYLNVCHYSK-FYYLOGMGSA-N 0 0 452.526 4.507 20 0 JJADRN NC(=O)c1ccn(-c2ccccc2NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 ZINC001456321802 1066562148 /nfs/dbraw/zinc/56/21/48/1066562148.db2.gz JGUJHRJWHTUCFR-UHFFFAOYSA-N 0 0 458.330 4.654 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2Cc2cccc(C(F)F)c2)o1 ZINC001361224175 1066562511 /nfs/dbraw/zinc/56/25/11/1066562511.db2.gz LGMIDOMLYPRMQW-CQSZACIVSA-N 0 0 469.458 4.905 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)cc1 ZINC001456324989 1066562688 /nfs/dbraw/zinc/56/26/88/1066562688.db2.gz YYYNHQZBUAQNSP-KRWDZBQOSA-N 0 0 454.954 4.709 20 0 JJADRN CS(=O)(=O)CC1(CNC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1 ZINC001445365739 1066562830 /nfs/dbraw/zinc/56/28/30/1066562830.db2.gz JYUIWWNKBJRHHE-UHFFFAOYSA-N 0 0 458.432 4.840 20 0 JJADRN CCc1cccc2c(CC(=O)N3CCN([C@H](C)c4ccc(Br)cc4)CC3)c[nH]c21 ZINC001456329255 1066563181 /nfs/dbraw/zinc/56/31/81/1066563181.db2.gz IYLVVCLFUYOPAA-QGZVFWFLSA-N 0 0 454.412 4.941 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C)COCc2ccccc2)o1 ZINC001361224510 1066563522 /nfs/dbraw/zinc/56/35/22/1066563522.db2.gz WJAQSIVXCCKSLY-RTBURBONSA-N 0 0 491.558 4.772 20 0 JJADRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001445371437 1066563929 /nfs/dbraw/zinc/56/39/29/1066563929.db2.gz AICKXHIXRMVFBP-AZUAARDMSA-N 0 0 452.551 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CC[C@H](OCCCc4ccccc4)C3)CC2)CC1 ZINC001361224686 1066564008 /nfs/dbraw/zinc/56/40/08/1066564008.db2.gz CMADKXTYQOHTFK-QHCPKHFHSA-N 0 0 456.627 4.664 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC001445373932 1066564033 /nfs/dbraw/zinc/56/40/33/1066564033.db2.gz POQJOSCDXGQRPD-HHHXNRCGSA-N 0 0 455.602 4.677 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001445371548 1066564045 /nfs/dbraw/zinc/56/40/45/1066564045.db2.gz SJPHWWVEOFBDPB-IBGZPJMESA-N 0 0 458.477 4.786 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(Br)ccc2C)CC1 ZINC001456331487 1066564349 /nfs/dbraw/zinc/56/43/49/1066564349.db2.gz NCZULUBJAKGBDF-NRFANRHFSA-N 0 0 451.355 4.874 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001456335489 1066564375 /nfs/dbraw/zinc/56/43/75/1066564375.db2.gz IWFADDRLACZSBV-FQEVSTJZSA-N 0 0 453.384 4.684 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)c2)c1 ZINC001445375143 1066564515 /nfs/dbraw/zinc/56/45/15/1066564515.db2.gz ZHMFUOPVRAPOES-HXUWFJFHSA-N 0 0 454.514 4.955 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC001456335767 1066564738 /nfs/dbraw/zinc/56/47/38/1066564738.db2.gz VBGOJUBJFOAEKS-MRXNPFEDSA-N 0 0 454.493 4.760 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001456338276 1066564761 /nfs/dbraw/zinc/56/47/61/1066564761.db2.gz ZLWJZMYUGMNBQV-CYBMUJFWSA-N 0 0 455.755 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCC(C)(C)C)cc1Br ZINC001361226308 1066564871 /nfs/dbraw/zinc/56/48/71/1066564871.db2.gz WYTNWNKSNCOPNO-SFHVURJKSA-N 0 0 474.447 4.653 20 0 JJADRN COc1ccccc1/C=C(/C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1 ZINC001445378987 1066564883 /nfs/dbraw/zinc/56/48/83/1066564883.db2.gz ZJYOIKZCQHVYTF-KTTQDFBCSA-N 0 0 454.570 4.586 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3cccc(CC(=O)OC(C)(C)C)c3)c(=O)oc2c1 ZINC001361226633 1066565056 /nfs/dbraw/zinc/56/50/56/1066565056.db2.gz QTDYAWFETAFEKQ-UHFFFAOYSA-N 0 0 451.519 4.566 20 0 JJADRN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001445375926 1066565024 /nfs/dbraw/zinc/56/50/24/1066565024.db2.gz TVMCVCXQVFOPQJ-XMMPIXPASA-N 0 0 450.485 4.721 20 0 JJADRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001445378130 1066565053 /nfs/dbraw/zinc/56/50/53/1066565053.db2.gz OIZOISUXGJHLSX-GHTZIAJQSA-N 0 0 452.551 4.720 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001456338679 1066565297 /nfs/dbraw/zinc/56/52/97/1066565297.db2.gz OPAQFCNRAKQNBB-RXVVDRJESA-N 0 0 455.599 4.677 20 0 JJADRN COCc1nc2cc(NC(=O)c3ccccc3SCc3occc3C(=O)OC)ccc2o1 ZINC001445388559 1066565942 /nfs/dbraw/zinc/56/59/42/1066565942.db2.gz AQKORMSQNMRTKB-UHFFFAOYSA-N 0 0 452.488 4.898 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001445390346 1066565984 /nfs/dbraw/zinc/56/59/84/1066565984.db2.gz IYTRGHQJWFZFKY-AZUAARDMSA-N 0 0 473.614 4.733 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@](C)(O)CCC(C)C)cc1Br ZINC001361227575 1066566107 /nfs/dbraw/zinc/56/61/07/1066566107.db2.gz QCGQCMKAFPVQGO-QHCPKHFHSA-N 0 0 479.463 4.818 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456345167 1066566239 /nfs/dbraw/zinc/56/62/39/1066566239.db2.gz RITFMWYKPVFDJG-NRFANRHFSA-N 0 0 455.480 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361227661 1066566523 /nfs/dbraw/zinc/56/65/23/1066566523.db2.gz SCRXADIVPHABGH-LMNJBCLMSA-N 0 0 487.645 4.743 20 0 JJADRN COCc1nc2cc(NC(=O)c3cc(C)c(Cl)cc3I)ccc2o1 ZINC001445393566 1066566457 /nfs/dbraw/zinc/56/64/57/1066566457.db2.gz NEBRXMIBWOBHJP-UHFFFAOYSA-N 0 0 456.667 4.793 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2cccc(Br)n2)o1 ZINC001361227740 1066566626 /nfs/dbraw/zinc/56/66/26/1066566626.db2.gz URFAVZNMUUGDJR-JOCHJYFZSA-N 0 0 474.403 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCCn2cc(Br)cn2)o1 ZINC001361227676 1066566658 /nfs/dbraw/zinc/56/66/58/1066566658.db2.gz SFNDXGBGBQKQMM-LJQANCHMSA-N 0 0 491.434 4.537 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1ccccc1 ZINC001456346104 1066566841 /nfs/dbraw/zinc/56/68/41/1066566841.db2.gz ZOXJDXFRJNAYLB-LJQANCHMSA-N 0 0 455.917 4.752 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2CC=CCO2)cc1Br ZINC001361227989 1066567103 /nfs/dbraw/zinc/56/71/03/1066567103.db2.gz ZZIHKVYNNFANHY-QUCCMNQESA-N 0 0 475.431 4.612 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2(C)COC2)cc1Br ZINC001361227928 1066567174 /nfs/dbraw/zinc/56/71/74/1066567174.db2.gz YPDPKPNIYZVMTR-QHCPKHFHSA-N 0 0 477.447 4.694 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnn(C(C)(C)C)c1I ZINC001456350746 1066567212 /nfs/dbraw/zinc/56/72/12/1066567212.db2.gz KBPBETWXXLFGAY-IIAWOOMASA-N 0 0 451.352 4.649 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)/C(C)=C/c3ccc(OC(F)(F)F)cc3)sc21 ZINC001456351392 1066567322 /nfs/dbraw/zinc/56/73/22/1066567322.db2.gz GBDJLHMNRWKHOO-CSKARUKUSA-N 0 0 451.426 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4F)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361228757 1066567623 /nfs/dbraw/zinc/56/76/23/1066567623.db2.gz DPPXEMDYPMEFTP-VGOFRKELSA-N 0 0 499.587 4.819 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCO1 ZINC001445402588 1066567483 /nfs/dbraw/zinc/56/74/83/1066567483.db2.gz IMSXFOUYIPWKHE-IBGZPJMESA-N 0 0 452.334 4.968 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)c(OC)c2Cl)C1 ZINC001546081734 1066567633 /nfs/dbraw/zinc/56/76/33/1066567633.db2.gz VVIXTPZQFZVHEH-CTIGNXTNSA-N 0 0 493.048 4.542 20 0 JJADRN CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccn2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456353949 1066568082 /nfs/dbraw/zinc/56/80/82/1066568082.db2.gz CARNECVKAJHPST-KRWDZBQOSA-N 0 0 454.569 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCSc2ncccc21)c1ccccc1C(F)(F)F ZINC001456354004 1066568191 /nfs/dbraw/zinc/56/81/91/1066568191.db2.gz UCGRUZISLNCFQD-MRXNPFEDSA-N 0 0 453.486 4.805 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)sc21 ZINC001456354102 1066568232 /nfs/dbraw/zinc/56/82/32/1066568232.db2.gz KBDIRXRSTDXQOZ-UHFFFAOYSA-N 0 0 452.561 4.708 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c2ccccc21 ZINC001456355141 1066568328 /nfs/dbraw/zinc/56/83/28/1066568328.db2.gz AGKLRXSRMLUNFJ-QGZVFWFLSA-N 0 0 455.436 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361229378 1066568674 /nfs/dbraw/zinc/56/86/74/1066568674.db2.gz QYUJJNPOHGXBJX-CVDCTZTESA-N 0 0 495.624 4.988 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545974820 1066568764 /nfs/dbraw/zinc/56/87/64/1066568764.db2.gz FYVLZEOSAKBBKO-FCHUYYIVSA-N 0 0 494.640 4.762 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545974823 1066568907 /nfs/dbraw/zinc/56/89/07/1066568907.db2.gz FYVLZEOSAKBBKO-YADHBBJMSA-N 0 0 494.640 4.762 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(Cl)c2SCC(F)F)ccc1OCC(=O)OC ZINC001456355456 1066568947 /nfs/dbraw/zinc/56/89/47/1066568947.db2.gz BFXSLRJWGAUZOD-UHFFFAOYSA-N 0 0 459.898 4.900 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(Cl)s4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361229532 1066569125 /nfs/dbraw/zinc/56/91/25/1066569125.db2.gz SEPOWLNPSJRMAH-INIZCTEOSA-N 0 0 494.017 4.664 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001545974928 1066569430 /nfs/dbraw/zinc/56/94/30/1066569430.db2.gz HXAFDCOMQUPSGJ-INIZCTEOSA-N 0 0 457.504 4.856 20 0 JJADRN CC1(C)CN(C(=O)CCc2nc3ccccc3o2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359860 1066569753 /nfs/dbraw/zinc/56/97/53/1066569753.db2.gz NUOQJEUVYPPGPS-JOCHJYFZSA-N 0 0 454.647 4.879 20 0 JJADRN CC(C)COc1ncccc1C(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359677 1066569778 /nfs/dbraw/zinc/56/97/78/1066569778.db2.gz NCIFJJVLEMECRM-HXUWFJFHSA-N 0 0 458.679 4.849 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359600 1066569878 /nfs/dbraw/zinc/56/98/78/1066569878.db2.gz MPSLQMSTDQBIOJ-DNVJHFABSA-N 0 0 469.702 4.925 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@H]2CCC[C@H](O)C2)cc1Br ZINC001361230789 1066570030 /nfs/dbraw/zinc/57/00/30/1066570030.db2.gz CALCESXRHSLIAJ-WMZOPIPTSA-N 0 0 479.488 4.899 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456360738 1066570275 /nfs/dbraw/zinc/57/02/75/1066570275.db2.gz POAHHRPGUQUCGP-OAQYLSRUSA-N 0 0 451.647 4.809 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231046 1066570315 /nfs/dbraw/zinc/57/03/15/1066570315.db2.gz JTLNWPUVWUSACU-MRXNPFEDSA-N 0 0 458.429 4.595 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccc(Cl)cc1 ZINC001456362026 1066570774 /nfs/dbraw/zinc/57/07/74/1066570774.db2.gz RVUFINQXFMOQQP-DJCROIMJSA-N 0 0 456.789 4.633 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C\c1ccccc1OCc1ccccc1 ZINC001456361201 1066570805 /nfs/dbraw/zinc/57/08/05/1066570805.db2.gz BNMFDXKYJHTTFL-YPKPFQOOSA-N 0 0 456.542 4.698 20 0 JJADRN COc1cc2cc(C(=O)Nc3n[nH]c(C)c3-c3cccc(Br)c3)[nH]c2cc1OC ZINC001445430150 1066570886 /nfs/dbraw/zinc/57/08/86/1066570886.db2.gz AVEZFGDHWIYCAP-UHFFFAOYSA-N 0 0 455.312 4.898 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCc2ncc(C(C)(C)C)o2)s1 ZINC001445432378 1066570895 /nfs/dbraw/zinc/57/08/95/1066570895.db2.gz RXMCFCZVBCYOMA-UHFFFAOYSA-N 0 0 450.358 4.797 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)C1 ZINC001456362567 1066571324 /nfs/dbraw/zinc/57/13/24/1066571324.db2.gz JZEOOIBRKFRIQA-JKSUJKDBSA-N 0 0 456.493 4.634 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cn(-c3ccccc3Cl)nn2)c1-c1cccc(Br)c1 ZINC001445438531 1066571373 /nfs/dbraw/zinc/57/13/73/1066571373.db2.gz PNUWDZHUODHFSR-UHFFFAOYSA-N 0 0 457.719 4.634 20 0 JJADRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccc1 ZINC001445437911 1066571444 /nfs/dbraw/zinc/57/14/44/1066571444.db2.gz OBPBAYMEKVWFTP-FDDCHVKYSA-N 0 0 455.514 4.992 20 0 JJADRN CC(C)CC1CCN(C(=O)c2ccc(Br)cc2I)CC1 ZINC001445453071 1066571513 /nfs/dbraw/zinc/57/15/13/1066571513.db2.gz VQVJSIJKAIEWPS-UHFFFAOYSA-N 0 0 450.158 4.952 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)c2)n1 ZINC001456363163 1066571746 /nfs/dbraw/zinc/57/17/46/1066571746.db2.gz WAOORMJRBHSCHQ-UHFFFAOYSA-N 0 0 450.292 4.882 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)C2 ZINC001456362887 1066571770 /nfs/dbraw/zinc/57/17/70/1066571770.db2.gz UIJBJGVLTJUPHN-QGZVFWFLSA-N 0 0 458.436 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC(C)(C)O)cc1Br ZINC001361231664 1066571785 /nfs/dbraw/zinc/57/17/85/1066571785.db2.gz SGWCQABPNDJATH-HUUCEWRRSA-N 0 0 453.450 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC001361231749 1066571853 /nfs/dbraw/zinc/57/18/53/1066571853.db2.gz TZALJAKKAGVLEW-GJZGRUSLSA-N 0 0 467.517 4.561 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231729 1066571872 /nfs/dbraw/zinc/57/18/72/1066571872.db2.gz SYEKGLDSJSQPEH-SJORKVTESA-N 0 0 472.456 4.984 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001445441042 1066572174 /nfs/dbraw/zinc/57/21/74/1066572174.db2.gz MXJZMRSPXMMISN-ZACQAIPSSA-N 0 0 457.434 4.805 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361231814 1066572376 /nfs/dbraw/zinc/57/23/76/1066572376.db2.gz GFQFPPCVKLPBLL-OWCLPIDISA-N 0 0 467.561 4.829 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)C1 ZINC001445451165 1066572522 /nfs/dbraw/zinc/57/25/22/1066572522.db2.gz DLVDWLHAGWQUKF-KRWDZBQOSA-N 0 0 451.007 4.586 20 0 JJADRN Nc1cc(F)c(Br)cc1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC001445448861 1066572670 /nfs/dbraw/zinc/57/26/70/1066572670.db2.gz CWTQWAYEKLBDMC-UHFFFAOYSA-N 0 0 456.526 4.939 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC001456368863 1066572771 /nfs/dbraw/zinc/57/27/71/1066572771.db2.gz CCZHTOCFIAQWSP-LWJGVMBGSA-N 0 0 459.575 4.718 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2cc(Br)cnc2OCC2CC2)c1 ZINC001456370282 1066572808 /nfs/dbraw/zinc/57/28/08/1066572808.db2.gz WSZZPWLVZSCFEY-UHFFFAOYSA-N 0 0 458.255 4.600 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 ZINC001361232256 1066572940 /nfs/dbraw/zinc/57/29/40/1066572940.db2.gz SFKHTTQWKYSIIG-ZWKOTPCHSA-N 0 0 459.015 4.910 20 0 JJADRN COc1ccc(C[C@H]2CCN2C(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc1 ZINC001445454215 1066573081 /nfs/dbraw/zinc/57/30/81/1066573081.db2.gz GUQBLACCPVFCAS-WZONZLPQSA-N 0 0 454.542 4.653 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cs1 ZINC001456372885 1066573052 /nfs/dbraw/zinc/57/30/52/1066573052.db2.gz KXNCFFSEFYQDHQ-GOSISDBHSA-N 0 0 457.502 4.645 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361232655 1066573285 /nfs/dbraw/zinc/57/32/85/1066573285.db2.gz SDRMUIYNDVNOOU-GDBMZVCRSA-N 0 0 471.524 4.786 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001445457261 1066573301 /nfs/dbraw/zinc/57/33/01/1066573301.db2.gz DWIJRWKZNJXBBB-HNNXBMFYSA-N 0 0 454.851 4.552 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC001456374177 1066573293 /nfs/dbraw/zinc/57/32/93/1066573293.db2.gz JIVQOKIBRBCVSI-FQEVSTJZSA-N 0 0 451.588 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCCC2)cc1Br ZINC001361232582 1066573426 /nfs/dbraw/zinc/57/34/26/1066573426.db2.gz QSGXQNPISIBWMJ-HDICACEKSA-N 0 0 477.447 4.715 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)o1 ZINC001361232749 1066573477 /nfs/dbraw/zinc/57/34/77/1066573477.db2.gz WKVPSLOUEPKNMQ-TZMCWYRMSA-N 0 0 493.477 4.641 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545975374 1066573585 /nfs/dbraw/zinc/57/35/85/1066573585.db2.gz QMWPFGQNWJAWCF-QUCCMNQESA-N 0 0 498.603 4.621 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)c3cc(O)ccc3C(F)(F)F)ccc2[nH]1 ZINC001456376476 1066573654 /nfs/dbraw/zinc/57/36/54/1066573654.db2.gz SANOHENBXBDZTP-UHFFFAOYSA-N 0 0 450.417 4.564 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001361233231 1066573743 /nfs/dbraw/zinc/57/37/43/1066573743.db2.gz GDHJYQXLXPKNGF-UHFFFAOYSA-N 0 0 454.374 4.767 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(CC4CCC4)c3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361233273 1066573883 /nfs/dbraw/zinc/57/38/83/1066573883.db2.gz DCAAVOCCMODCBI-UHFFFAOYSA-N 0 0 455.563 4.502 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)NCc2oc3ccccc3c2C)nnc1-c1ccccc1 ZINC001456377375 1066573936 /nfs/dbraw/zinc/57/39/36/1066573936.db2.gz AQMBKOKDZMUYIQ-MRXNPFEDSA-N 0 0 450.564 4.616 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)o1 ZINC001361233275 1066573960 /nfs/dbraw/zinc/57/39/60/1066573960.db2.gz DCBCIDFQRWCDCR-SFHVURJKSA-N 0 0 491.514 4.649 20 0 JJADRN CCCOc1ccc(CNC(=O)c2cccc(NC(=O)c3cccnc3)c2)c(OC(F)F)c1 ZINC001445463871 1066574133 /nfs/dbraw/zinc/57/41/33/1066574133.db2.gz NNGWYDPQDSGRJL-UHFFFAOYSA-N 0 0 455.461 4.654 20 0 JJADRN COc1ccc(C[C@H]2CCN2C(=O)c2cc(Br)c(C)cc2Br)cc1 ZINC001445463908 1066574208 /nfs/dbraw/zinc/57/42/08/1066574208.db2.gz QCNCQZQHYOAEKC-CQSZACIVSA-N 0 0 453.174 4.986 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(F)cc3)CC(F)(F)F)o2)cc1 ZINC001456383689 1066574281 /nfs/dbraw/zinc/57/42/81/1066574281.db2.gz NOZJAEQDEINKKC-UHFFFAOYSA-N 0 0 455.433 4.568 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3cccc(CCCOC(C)=O)c3)cs2)cc1OC ZINC001546081975 1066574473 /nfs/dbraw/zinc/57/44/73/1066574473.db2.gz BBWZMAVBSQGJFH-UHFFFAOYSA-N 0 0 454.548 4.504 20 0 JJADRN COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)c1ccccc1Nc1cccc(C)c1C)C(=O)N2 ZINC001456383239 1066574488 /nfs/dbraw/zinc/57/44/88/1066574488.db2.gz GGRCAWLRVVMNSW-DEOSSOPVSA-N 0 0 457.530 4.517 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccccc1Cl)c1ccccc1 ZINC001456386906 1066574961 /nfs/dbraw/zinc/57/49/61/1066574961.db2.gz IRIFVZAKBWQTNU-QHCPKHFHSA-N 0 0 450.966 4.890 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)cc2C1 ZINC001445474300 1066574877 /nfs/dbraw/zinc/57/48/77/1066574877.db2.gz FWUDZCUWAPYYNV-LJQANCHMSA-N 0 0 454.592 4.919 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001445471400 1066575027 /nfs/dbraw/zinc/57/50/27/1066575027.db2.gz ZUNBNCNHSYFNAF-XUZZJYLKSA-N 0 0 453.579 4.660 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)C1 ZINC001445471407 1066575075 /nfs/dbraw/zinc/57/50/75/1066575075.db2.gz ZUNBNCNHSYFNAF-ZJSXRUAMSA-N 0 0 453.579 4.660 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)Oc1ccccc1F ZINC001545975467 1066575115 /nfs/dbraw/zinc/57/51/15/1066575115.db2.gz SASLAALBBNVYJL-RTBURBONSA-N 0 0 498.603 4.716 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC001456388829 1066575506 /nfs/dbraw/zinc/57/55/06/1066575506.db2.gz FGFVZGSPOIVPRU-UHFFFAOYSA-N 0 0 456.340 4.787 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456388871 1066575536 /nfs/dbraw/zinc/57/55/36/1066575536.db2.gz AOSAWLGJPDZSOH-HOTGVXAUSA-N 0 0 451.405 4.727 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cnn1-c1cccc(Br)c1 ZINC001445477997 1066576022 /nfs/dbraw/zinc/57/60/22/1066576022.db2.gz MLQGKARDTPLETA-IBGZPJMESA-N 0 0 452.352 4.821 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Oc1ccncc1)c1ccccc1 ZINC001456390064 1066576048 /nfs/dbraw/zinc/57/60/48/1066576048.db2.gz NPDQWGITAYKQPB-VWLOTQADSA-N 0 0 451.526 4.878 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 ZINC001456390746 1066576086 /nfs/dbraw/zinc/57/60/86/1066576086.db2.gz GUOPIRDYBBNUQU-HSZRJFAPSA-N 0 0 456.995 4.698 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)o1 ZINC001445485396 1066576404 /nfs/dbraw/zinc/57/64/04/1066576404.db2.gz RCBLJNRSMCKRII-LUAWRHEFSA-N 0 0 451.441 4.848 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 ZINC001456392617 1066576660 /nfs/dbraw/zinc/57/66/60/1066576660.db2.gz JDVQASOJNPHZFT-HKBQPEDESA-N 0 0 450.486 4.586 20 0 JJADRN O=C(c1c(F)ccc(Br)c1F)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445487044 1066576919 /nfs/dbraw/zinc/57/69/19/1066576919.db2.gz SZTFMBDPVPWFRN-UHFFFAOYSA-N 0 0 450.201 4.941 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001361236452 1066577187 /nfs/dbraw/zinc/57/71/87/1066577187.db2.gz JHWBAHNHQHIFAB-HXUWFJFHSA-N 0 0 467.017 4.806 20 0 JJADRN CN1CCc2ccc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2C1=O ZINC001445489596 1066577308 /nfs/dbraw/zinc/57/73/08/1066577308.db2.gz KDOYAKPPZOLMEG-NRFANRHFSA-N 0 0 451.567 4.545 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCc1nccn1CCCc1ccccc1 ZINC001445490590 1066577443 /nfs/dbraw/zinc/57/74/43/1066577443.db2.gz CSUJETOLKZZDPX-QPPBQGQZSA-N 0 0 452.396 4.872 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCc1nccn1CCCc1ccccc1 ZINC001445490594 1066577511 /nfs/dbraw/zinc/57/75/11/1066577511.db2.gz CSUJETOLKZZDPX-XUZZJYLKSA-N 0 0 452.396 4.872 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC001456395532 1066577661 /nfs/dbraw/zinc/57/76/61/1066577661.db2.gz ZEYBWYZXJQUVON-XIFFEERXSA-N 0 0 459.571 4.972 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)cc1 ZINC001361237016 1066577611 /nfs/dbraw/zinc/57/76/11/1066577611.db2.gz LSODKSYZIZWAFH-KNQAVFIVSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(C)C)nnc2N(C)Cc2ncc(Cl)n2C)cc1 ZINC001361237018 1066577659 /nfs/dbraw/zinc/57/76/59/1066577659.db2.gz LSODKSYZIZWAFH-UGKGYDQZSA-N 0 0 457.022 4.901 20 0 JJADRN Cc1cc2cc(C(=O)N3C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C3)oc2c(Br)c1 ZINC001456396592 1066578168 /nfs/dbraw/zinc/57/81/68/1066578168.db2.gz IOJQRROHXDQWBF-ZIAGYGMSSA-N 0 0 451.361 4.974 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456396620 1066578279 /nfs/dbraw/zinc/57/82/79/1066578279.db2.gz ITBAREBMHCFFLX-KKUMJFAQSA-N 0 0 457.434 4.786 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NC(C)C)o1 ZINC001361237617 1066578281 /nfs/dbraw/zinc/57/82/81/1066578281.db2.gz QJYAECWOXPLRIZ-JOCHJYFZSA-N 0 0 479.625 4.922 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445509156 1066578684 /nfs/dbraw/zinc/57/86/84/1066578684.db2.gz RQWSZDAWUSPSCD-ZSCHDPEDSA-N 0 0 468.516 4.645 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)c1 ZINC001445513089 1066579256 /nfs/dbraw/zinc/57/92/56/1066579256.db2.gz HWLYKQPKHCCAGL-XMMPIXPASA-N 0 0 450.579 4.837 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(I)c2N)c(OCCC(C)C)c1 ZINC001445511865 1066579351 /nfs/dbraw/zinc/57/93/51/1066579351.db2.gz JYWUNMFGSKJUNR-UHFFFAOYSA-N 0 0 452.336 4.537 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(Cl)c(C[S@@](C)=O)c3)c2c1C ZINC001456408258 1066579740 /nfs/dbraw/zinc/57/97/40/1066579740.db2.gz CIQDYVZFBYYNRN-MUUNZHRXSA-N 0 0 454.042 4.879 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456405825 1066579778 /nfs/dbraw/zinc/57/97/78/1066579778.db2.gz WCDUJYRXHTXIJD-RTBURBONSA-N 0 0 452.599 4.746 20 0 JJADRN CN(C)[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(Cl)cc1 ZINC001456407285 1066579797 /nfs/dbraw/zinc/57/97/97/1066579797.db2.gz DDKNUVXKPTYACS-HNNXBMFYSA-N 0 0 451.777 4.862 20 0 JJADRN Cn1nc(C2CCCCC2)cc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC001445517098 1066579941 /nfs/dbraw/zinc/57/99/41/1066579941.db2.gz GXICNCGNKLOGDH-MHZLTWQESA-N 0 0 452.418 4.757 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001361238809 1066580167 /nfs/dbraw/zinc/58/01/67/1066580167.db2.gz XVVNNLFIQQDXBR-TZIWHRDSSA-N 0 0 491.558 4.591 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361238865 1066580267 /nfs/dbraw/zinc/58/02/67/1066580267.db2.gz YOLRWXAPHRDONY-QZTJIDSGSA-N 0 0 453.553 4.994 20 0 JJADRN CCOCCCCCC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361239045 1066580782 /nfs/dbraw/zinc/58/07/82/1066580782.db2.gz UZGBIBYGBMRVPW-UHFFFAOYSA-N 0 0 451.327 4.713 20 0 JJADRN C[S@@](=O)Cc1cc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)ccc1Cl ZINC001456410591 1066580812 /nfs/dbraw/zinc/58/08/12/1066580812.db2.gz HPNHYXAEZBKEPH-JPZYQRIQSA-N 0 0 452.963 4.554 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)cc1 ZINC001445524565 1066581349 /nfs/dbraw/zinc/58/13/49/1066581349.db2.gz FHLGYOMNJOJIGP-MRXNPFEDSA-N 0 0 453.583 4.818 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001456414885 1066581467 /nfs/dbraw/zinc/58/14/67/1066581467.db2.gz RVBSTFNMTYRBCN-NJDAHSKKSA-N 0 0 456.608 4.719 20 0 JJADRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001445525611 1066581908 /nfs/dbraw/zinc/58/19/08/1066581908.db2.gz LZBXCAOWMMNGNI-FQEVSTJZSA-N 0 0 457.361 4.647 20 0 JJADRN Cc1nc(C)c(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001456419533 1066581894 /nfs/dbraw/zinc/58/18/94/1066581894.db2.gz ICULVEHOBNREPN-UHFFFAOYSA-N 0 0 457.596 4.564 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001445525407 1066582086 /nfs/dbraw/zinc/58/20/86/1066582086.db2.gz KMJWWDMBVPRZMK-UHFFFAOYSA-N 0 0 456.386 4.770 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001456417010 1066582076 /nfs/dbraw/zinc/58/20/76/1066582076.db2.gz CCSQNFFGLWYDFT-UHFFFAOYSA-N 0 0 450.789 4.670 20 0 JJADRN Cc1ccc([C@H](C)C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001456426566 1066582431 /nfs/dbraw/zinc/58/24/31/1066582431.db2.gz VZCVCHQLIWOEKC-IBGZPJMESA-N 0 0 454.567 4.882 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CCN(CCOC(C)C)CC2)cc1 ZINC001361240938 1066582584 /nfs/dbraw/zinc/58/25/84/1066582584.db2.gz ZCSJWZZWWCPNKW-BDYUSTAISA-N 0 0 497.728 4.890 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361240627 1066582764 /nfs/dbraw/zinc/58/27/64/1066582764.db2.gz VWPYUFOWWLPLHL-SMIHKQSGSA-N 0 0 470.658 4.900 20 0 JJADRN CC[C@@H]1c2ccccc2CCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001456427159 1066582992 /nfs/dbraw/zinc/58/29/92/1066582992.db2.gz HPSYQLDXHGPVPJ-HXUWFJFHSA-N 0 0 450.398 4.539 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(OC(C)C)CC2)cc1 ZINC001361241629 1066583108 /nfs/dbraw/zinc/58/31/08/1066583108.db2.gz KRIAFAZCJGCOEJ-UHFFFAOYSA-N 0 0 472.431 4.981 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@H](C)C2)cc1 ZINC001361241318 1066583136 /nfs/dbraw/zinc/58/31/36/1066583136.db2.gz APELDNMNNQAONH-MRXNPFEDSA-N 0 0 461.429 4.935 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)ccc1OCC(=O)OC ZINC001456432426 1066583412 /nfs/dbraw/zinc/58/34/12/1066583412.db2.gz PNEVFTDWTYEPND-UHFFFAOYSA-N 0 0 450.491 4.694 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)NCCc3nc4c(s3)COCC4)cc2c1 ZINC001456431378 1066583493 /nfs/dbraw/zinc/58/34/93/1066583493.db2.gz DCSDWLPYXXVKEB-UHFFFAOYSA-N 0 0 459.593 4.750 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1 ZINC001361241764 1066583586 /nfs/dbraw/zinc/58/35/86/1066583586.db2.gz ONHDTJNYQYMQQO-NRFANRHFSA-N 0 0 476.625 4.645 20 0 JJADRN Cc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361241664 1066583694 /nfs/dbraw/zinc/58/36/94/1066583694.db2.gz LHLWDDMXYKIBLS-JOCHJYFZSA-N 0 0 478.641 4.576 20 0 JJADRN Cc1ccc(CCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(Br)cs2)c(C)c1 ZINC001361241938 1066583711 /nfs/dbraw/zinc/58/37/11/1066583711.db2.gz VHXLLFHUEVEPSS-UHFFFAOYSA-N 0 0 485.455 4.999 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2coc(-c3ccnc(C)c3)n2)c2ccc(OC)cc2OC)cc1 ZINC001456432463 1066583790 /nfs/dbraw/zinc/58/37/90/1066583790.db2.gz PSRCHSQKVFGAGW-XMMPIXPASA-N 0 0 459.502 4.590 20 0 JJADRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001456432445 1066583826 /nfs/dbraw/zinc/58/38/26/1066583826.db2.gz JXUMPTSOFXQOFK-CMKODMSKSA-N 0 0 458.521 4.581 20 0 JJADRN Cc1ccc(CCn2c(C3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361241939 1066584262 /nfs/dbraw/zinc/58/42/62/1066584262.db2.gz VICPDULTGKRMFT-UHFFFAOYSA-N 0 0 453.631 4.756 20 0 JJADRN O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001445533138 1066584343 /nfs/dbraw/zinc/58/43/43/1066584343.db2.gz NXLYEAVDIMVODQ-GBESFXJTSA-N 0 0 466.803 4.932 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001445537860 1066584709 /nfs/dbraw/zinc/58/47/09/1066584709.db2.gz DUZJWVXVBHKIDB-PWRODBHTSA-N 0 0 458.624 4.846 20 0 JJADRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001445537663 1066584730 /nfs/dbraw/zinc/58/47/30/1066584730.db2.gz NOTNTJFEPOJYMO-HXUWFJFHSA-N 0 0 456.539 4.552 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@@H]2C)c(C)c1 ZINC001361243237 1066584835 /nfs/dbraw/zinc/58/48/35/1066584835.db2.gz KQUVLLXEJYPDRS-NWSQWKLXSA-N 0 0 483.657 4.681 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)nc1Br ZINC001456436360 1066585543 /nfs/dbraw/zinc/58/55/43/1066585543.db2.gz SWLSTWSXBFMZSE-MHZLTWQESA-N 0 0 451.386 4.686 20 0 JJADRN O=C(NC1CCC(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)CC1)C1CCCC1 ZINC001445542502 1066585673 /nfs/dbraw/zinc/58/56/73/1066585673.db2.gz OBROCFMYKGOVCK-VNXZQDSDSA-N 0 0 454.636 4.676 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001445542167 1066585684 /nfs/dbraw/zinc/58/56/84/1066585684.db2.gz WIBVJAPBFCPPDK-OWHZGTRUSA-N 0 0 454.586 4.910 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1I ZINC001545976473 1066585702 /nfs/dbraw/zinc/58/57/02/1066585702.db2.gz PJFWYNYYEVWTNR-INIZCTEOSA-N 0 0 451.279 4.616 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C)C2)c(C)c1 ZINC001361243926 1066586006 /nfs/dbraw/zinc/58/60/06/1066586006.db2.gz YAPCIRKFNMBERK-XPNTWCBSSA-N 0 0 483.657 4.538 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C1 ZINC001456438096 1066586076 /nfs/dbraw/zinc/58/60/76/1066586076.db2.gz AUBATECVNDTIQV-GOSISDBHSA-N 0 0 453.436 4.644 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@H](C)Oc2cccc(F)c2)cc1 ZINC001361244211 1066586166 /nfs/dbraw/zinc/58/61/66/1066586166.db2.gz FYTMEKXSUBYJFL-IBGZPJMESA-N 0 0 459.521 4.813 20 0 JJADRN CCn1c(SCC(=O)NCc2ccc(C)cc2OCC2CC2)nnc1-c1ccccc1C ZINC001445545458 1066586172 /nfs/dbraw/zinc/58/61/72/1066586172.db2.gz PTCCJKPHKNVXQT-UHFFFAOYSA-N 0 0 450.608 4.779 20 0 JJADRN CSc1ccc(/C=C\C(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001456439193 1066586373 /nfs/dbraw/zinc/58/63/73/1066586373.db2.gz RGKSYZNAWLRFEZ-QKIRZYONSA-N 0 0 452.642 4.500 20 0 JJADRN C[C@@H](CC(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456439167 1066586549 /nfs/dbraw/zinc/58/65/49/1066586549.db2.gz QXXLZMNDSVAYJB-OALUTQOASA-N 0 0 455.599 4.679 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456439166 1066586566 /nfs/dbraw/zinc/58/65/66/1066586566.db2.gz QXXLZMNDSVAYJB-MOPGFXCFSA-N 0 0 455.599 4.679 20 0 JJADRN Cc1ccc(CCn2c(N(C)[C@H](C)c3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245084 1066586596 /nfs/dbraw/zinc/58/65/96/1066586596.db2.gz DEPVZGJGARSNRD-QFQXNSOFSA-N 0 0 452.599 4.969 20 0 JJADRN Cc1nc(CNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)oc1-c1ccc(Cl)cc1 ZINC001445551712 1066586941 /nfs/dbraw/zinc/58/69/41/1066586941.db2.gz YQJHCLMMJDDXFM-UHFFFAOYSA-N 0 0 458.923 4.524 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)c12 ZINC001361245471 1066587012 /nfs/dbraw/zinc/58/70/12/1066587012.db2.gz AMZLHSSGNCQMTE-YTTGMZPUSA-N 0 0 458.465 4.823 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2)cs1 ZINC001361245314 1066587039 /nfs/dbraw/zinc/58/70/39/1066587039.db2.gz KGYKAGAKNDQQGT-OAQYLSRUSA-N 0 0 496.681 4.678 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)c2cc(N3CCNC3=O)ccc2F)nc1-c1ccc(Cl)cc1 ZINC001445556541 1066587313 /nfs/dbraw/zinc/58/73/13/1066587313.db2.gz ZGVYLJDDDZASRL-GFCCVEGCSA-N 0 0 458.946 4.932 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)cc2)n1 ZINC001456441829 1066587395 /nfs/dbraw/zinc/58/73/95/1066587395.db2.gz LNLVPPFDOTZVQE-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3Br)cc2)n1 ZINC001456441884 1066587461 /nfs/dbraw/zinc/58/74/61/1066587461.db2.gz LRRNPRVHPXUEGX-UHFFFAOYSA-N 0 0 456.218 4.991 20 0 JJADRN Cc1ccc(CCn2c(N3CCN([C@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)cc1 ZINC001361245533 1066587514 /nfs/dbraw/zinc/58/75/14/1066587514.db2.gz PZXZKOBXEXSPDL-HXUWFJFHSA-N 0 0 465.646 4.516 20 0 JJADRN Cc1ccc(CCn2c(N(C)C[C@H]3CC=CCC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245718 1066587573 /nfs/dbraw/zinc/58/75/73/1066587573.db2.gz SLMFQCYQAUXAQC-WNCULLNHSA-N 0 0 452.643 4.971 20 0 JJADRN Cc1ccc(OCCC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(Br)c1 ZINC001361245611 1066587617 /nfs/dbraw/zinc/58/76/17/1066587617.db2.gz DOLOEPPYCAUUOC-SANMLTNESA-N 0 0 450.276 4.793 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1cccc(N2CCCC2)c1 ZINC001445561927 1066587783 /nfs/dbraw/zinc/58/77/83/1066587783.db2.gz LFWVVBJVOWOMKH-KRWDZBQOSA-N 0 0 455.628 4.782 20 0 JJADRN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001445562831 1066587840 /nfs/dbraw/zinc/58/78/40/1066587840.db2.gz YOMUQGMVHKNFCL-VOJFVSQTSA-N 0 0 451.354 4.654 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)nn1-c1c(Cl)cccc1Cl ZINC001456445164 1066588064 /nfs/dbraw/zinc/58/80/64/1066588064.db2.gz MRQBAWWLCVDYMO-UHFFFAOYSA-N 0 0 453.713 4.829 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)s1 ZINC001361246737 1066588330 /nfs/dbraw/zinc/58/83/30/1066588330.db2.gz AUPSMWCVSCIZCZ-NRFANRHFSA-N 0 0 467.639 4.748 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1cnn(-c2cccc(Br)c2)c1 ZINC001361246124 1066588360 /nfs/dbraw/zinc/58/83/60/1066588360.db2.gz LRGYZBFQWOOPFB-HHHXNRCGSA-N 0 0 458.259 4.515 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361246144 1066588484 /nfs/dbraw/zinc/58/84/84/1066588484.db2.gz YYDQNUHHRQTKOT-YTFSRNRJSA-N 0 0 497.684 4.851 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361246122 1066588549 /nfs/dbraw/zinc/58/85/49/1066588549.db2.gz LOELDJBSGGZGCK-INCQDFKNSA-N 0 0 450.523 4.828 20 0 JJADRN O=C(Nc1ccc(OC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1)C1CCCCC1 ZINC001456445903 1066588399 /nfs/dbraw/zinc/58/83/99/1066588399.db2.gz SEBFMPFAXPHHOU-UHFFFAOYSA-N 0 0 452.532 4.620 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2Cc2cccnc2OCC(F)(F)F)s1 ZINC001361246859 1066588959 /nfs/dbraw/zinc/58/89/59/1066588959.db2.gz GJVPVWZYLXTEFL-UHFFFAOYSA-N 0 0 453.534 4.966 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@@H](C)C[C@@H](O)c3ccccc3)cc2Br)no1 ZINC001445571480 1066588983 /nfs/dbraw/zinc/58/89/83/1066588983.db2.gz FAARHBLFKIGVPK-VBKZILBWSA-N 0 0 459.340 4.567 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1-c1ncco1 ZINC001445568780 1066588996 /nfs/dbraw/zinc/58/89/96/1066588996.db2.gz PUODIBPLHIIBBM-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(C)sc(C)c2Br)s1 ZINC001361246926 1066589262 /nfs/dbraw/zinc/58/92/62/1066589262.db2.gz IXHZTHVBDVVNDT-UHFFFAOYSA-N 0 0 496.500 4.912 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2)s1 ZINC001361247096 1066589385 /nfs/dbraw/zinc/58/93/85/1066589385.db2.gz OYHXSQAHPKLIKQ-UHFFFAOYSA-N 0 0 478.647 4.865 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)NCCc3nc(-c4cccc(Cl)c4)no3)nc2)c1 ZINC001456448491 1066589411 /nfs/dbraw/zinc/58/94/11/1066589411.db2.gz MRYHXIKWUZWCFH-UHFFFAOYSA-N 0 0 450.882 4.558 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001445574387 1066589474 /nfs/dbraw/zinc/58/94/74/1066589474.db2.gz UJKSRGFKLUMPIP-FQEVSTJZSA-N 0 0 450.620 4.698 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC(F)(F)CO2)s1 ZINC001361247330 1066589899 /nfs/dbraw/zinc/58/98/99/1066589899.db2.gz ZDOUGCSCYJKKIZ-GOSISDBHSA-N 0 0 475.565 4.578 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001456450884 1066589969 /nfs/dbraw/zinc/58/99/69/1066589969.db2.gz UFPFRLLSDBACET-NSHDSACASA-N 0 0 451.310 4.643 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCOC4(C3)CCCCCC4)cc2)c1 ZINC001445577745 1066590131 /nfs/dbraw/zinc/59/01/31/1066590131.db2.gz ZPPMIRLGOVWKBV-UHFFFAOYSA-N 0 0 457.592 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCOC3(C2)CCCCCC3)C1 ZINC001445577423 1066590223 /nfs/dbraw/zinc/59/02/23/1066590223.db2.gz YBRLMRHBQKMJOY-DHIUTWEWSA-N 0 0 456.627 4.664 20 0 JJADRN COc1ccc(C2(CNC(=O)CSc3ccc4c(c3)OCCO4)CCCCC2)cc1OC ZINC001456451374 1066590593 /nfs/dbraw/zinc/59/05/93/1066590593.db2.gz WDEULOIFMZLNSE-UHFFFAOYSA-N 0 0 457.592 4.585 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2ccc(C)nc2Sc2ccccc2)cc1 ZINC001456453947 1066591323 /nfs/dbraw/zinc/59/13/23/1066591323.db2.gz SFBGWBPEQMTLRC-UHFFFAOYSA-N 0 0 450.560 4.803 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cc2)n[nH]1 ZINC001445585561 1066591700 /nfs/dbraw/zinc/59/17/00/1066591700.db2.gz JUKFOJCWVVWDFF-UHFFFAOYSA-N 0 0 459.955 4.889 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)s1 ZINC001361248291 1066591722 /nfs/dbraw/zinc/59/17/22/1066591722.db2.gz JLLGDDYHOIWFKX-SFHVURJKSA-N 0 0 468.602 4.930 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOC[C@H]2C)s1 ZINC001361248253 1066591779 /nfs/dbraw/zinc/59/17/79/1066591779.db2.gz IOFOTZCCXJSYMK-DENIHFKCSA-N 0 0 483.682 4.762 20 0 JJADRN Cc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1I ZINC001445586083 1066591737 /nfs/dbraw/zinc/59/17/37/1066591737.db2.gz LAEJMOHXHGZMLU-INIZCTEOSA-N 0 0 451.304 4.850 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCOC[C@@H]2C)s1 ZINC001361248256 1066591820 /nfs/dbraw/zinc/59/18/20/1066591820.db2.gz IOFOTZCCXJSYMK-UGKGYDQZSA-N 0 0 483.682 4.762 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC001456460874 1066591878 /nfs/dbraw/zinc/59/18/78/1066591878.db2.gz IEIJZEJINSSKCH-UHFFFAOYSA-N 0 0 450.848 4.784 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccccc3)cc21 ZINC001456456986 1066591966 /nfs/dbraw/zinc/59/19/66/1066591966.db2.gz MOUQYTHFCSEBOX-SFHVURJKSA-N 0 0 459.340 4.752 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC(F)(F)C2)s1 ZINC001361248507 1066592249 /nfs/dbraw/zinc/59/22/49/1066592249.db2.gz MHSFLTHIHQGNIB-UTKZUKDTSA-N 0 0 454.587 4.760 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001456463884 1066592427 /nfs/dbraw/zinc/59/24/27/1066592427.db2.gz KSUNPBFKZMPFFP-HHHXNRCGSA-N 0 0 450.771 4.559 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001492598176 1066592382 /nfs/dbraw/zinc/59/23/82/1066592382.db2.gz KIVCUDFGSKPFSU-ISKFKSNPSA-N 0 0 497.684 4.569 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)no2)cc1 ZINC001456466973 1066592762 /nfs/dbraw/zinc/59/27/62/1066592762.db2.gz WRKJESVWDYTGIY-UHFFFAOYSA-N 0 0 457.889 4.634 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCc2nnc(C)s2)o1 ZINC001361249667 1066593168 /nfs/dbraw/zinc/59/31/68/1066593168.db2.gz AFDMTUFUNWQFAF-UHFFFAOYSA-N 0 0 479.429 4.710 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)CCc1cc(Cl)ccc1Br)C(F)(F)F ZINC001361249491 1066593247 /nfs/dbraw/zinc/59/32/47/1066593247.db2.gz RJXWFDVGWZGJNH-MRXNPFEDSA-N 0 0 452.702 4.805 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)c2cccs2)CCO1 ZINC001546082699 1066593296 /nfs/dbraw/zinc/59/32/96/1066593296.db2.gz BICJHCVTCPDYCG-FCHUYYIVSA-N 0 0 491.455 4.682 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccc(F)cc1F ZINC001445599563 1066593606 /nfs/dbraw/zinc/59/36/06/1066593606.db2.gz HJATYBSGQOISCM-UXHICEINSA-N 0 0 451.311 4.658 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001456471329 1066593771 /nfs/dbraw/zinc/59/37/71/1066593771.db2.gz UULLERNSPFXSIJ-YVHKJVDXSA-N 0 0 456.612 4.682 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001445598770 1066593769 /nfs/dbraw/zinc/59/37/69/1066593769.db2.gz UWIMHSGZZRITMZ-HXUWFJFHSA-N 0 0 452.039 4.560 20 0 JJADRN CCOC(=O)C(C)(C)n1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 ZINC001445600424 1066593796 /nfs/dbraw/zinc/59/37/96/1066593796.db2.gz LVQXSIDHBAMXCF-UHFFFAOYSA-N 0 0 450.520 4.817 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC[C@@H](C)c3ccc(Br)cc3)C2)c1 ZINC001456477699 1066594106 /nfs/dbraw/zinc/59/41/06/1066594106.db2.gz FPPHNSSIRXERIQ-MJGOQNOKSA-N 0 0 458.400 4.921 20 0 JJADRN COc1cc(NC(=O)Cc2cccs2)c(C(=O)N(C)Cc2c(C)cccc2C)cc1OC ZINC001456476370 1066594233 /nfs/dbraw/zinc/59/42/33/1066594233.db2.gz JWAINUKWSHTOGO-UHFFFAOYSA-N 0 0 452.576 4.836 20 0 JJADRN O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccn(-c2cccc(Br)c2)n1 ZINC001456480980 1066594461 /nfs/dbraw/zinc/59/44/61/1066594461.db2.gz SRGQLZSWBUGACU-QFIPXVFZSA-N 0 0 454.368 4.849 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)Cc2cccs2)o1 ZINC001361249815 1066594555 /nfs/dbraw/zinc/59/45/55/1066594555.db2.gz GRHJMQDTVOFZIP-QGZVFWFLSA-N 0 0 484.647 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)c1cccc(NCc2cncs2)c1 ZINC001456479946 1066594567 /nfs/dbraw/zinc/59/45/67/1066594567.db2.gz PKNILRUCLLUCOB-UUOWRZLLSA-N 0 0 456.612 4.665 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCCC2(C)C)o1 ZINC001361249915 1066595061 /nfs/dbraw/zinc/59/50/61/1066595061.db2.gz KEEIYEJANVIMLB-OAQYLSRUSA-N 0 0 462.392 4.515 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNC(=O)C(C)C)o1 ZINC001361249983 1066595145 /nfs/dbraw/zinc/59/51/45/1066595145.db2.gz MVSFDUXRRZQTSS-UHFFFAOYSA-N 0 0 451.615 4.943 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001456481915 1066595147 /nfs/dbraw/zinc/59/51/47/1066595147.db2.gz VONABHZRHXJVLC-YOEHRIQHSA-N 0 0 455.530 4.935 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(C)cc1)NC(=O)OC(C)(C)C ZINC001545977100 1066595295 /nfs/dbraw/zinc/59/52/95/1066595295.db2.gz FDQMYNKXRXPKIH-UNMCSNQZSA-N 0 0 477.613 4.688 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1SCc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC001445614134 1066595371 /nfs/dbraw/zinc/59/53/71/1066595371.db2.gz TXUXQILCZQSYGG-CYBMUJFWSA-N 0 0 451.386 4.596 20 0 JJADRN CC1(C)CCN(C(=O)c2ccnc(Cl)c2I)C[C@H]1c1ccccc1 ZINC001456482528 1066595263 /nfs/dbraw/zinc/59/52/63/1066595263.db2.gz RBVQINCQBUVQHK-HNNXBMFYSA-N 0 0 454.739 4.996 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cnn1-c1ccc(F)cc1 ZINC001456482515 1066595395 /nfs/dbraw/zinc/59/53/95/1066595395.db2.gz AQLAJZJDTIXFJG-UHFFFAOYSA-N 0 0 459.443 4.726 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001456484589 1066595736 /nfs/dbraw/zinc/59/57/36/1066595736.db2.gz KFSZUWIVGSQXKF-LJQANCHMSA-N 0 0 451.014 4.726 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545977166 1066595771 /nfs/dbraw/zinc/59/57/71/1066595771.db2.gz GBZHKOGFEYLIDF-SFHVURJKSA-N 0 0 485.386 4.548 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001445618872 1066595962 /nfs/dbraw/zinc/59/59/62/1066595962.db2.gz WYBOPZSDUTWYRU-AUGFPLSNSA-N 0 0 473.614 4.752 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCO[C@@H]2CCOC2)s1 ZINC001361250134 1066596099 /nfs/dbraw/zinc/59/60/99/1066596099.db2.gz RUZPJTPAKXPVNI-LJQANCHMSA-N 0 0 491.455 4.910 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)s1 ZINC001361250070 1066596297 /nfs/dbraw/zinc/59/62/97/1066596297.db2.gz PSCXQYLZTHICNX-OAHLLOKOSA-N 0 0 497.484 4.971 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456486661 1066596130 /nfs/dbraw/zinc/59/61/30/1066596130.db2.gz DMKITNAMWUPGRW-UZQPLGKSSA-N 0 0 451.473 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001456485185 1066596239 /nfs/dbraw/zinc/59/62/39/1066596239.db2.gz CRMYCFBLWAECDW-AWEZNQCLSA-N 0 0 451.283 4.597 20 0 JJADRN C[C@@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456487238 1066596732 /nfs/dbraw/zinc/59/67/32/1066596732.db2.gz GWQHXEJYSYBKFW-GFCCVEGCSA-N 0 0 459.731 4.636 20 0 JJADRN C[C@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456487246 1066596773 /nfs/dbraw/zinc/59/67/73/1066596773.db2.gz GWQHXEJYSYBKFW-LBPRGKRZSA-N 0 0 459.731 4.636 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001456487158 1066596926 /nfs/dbraw/zinc/59/69/26/1066596926.db2.gz HFYSVLUHAUAICH-HHHXNRCGSA-N 0 0 451.611 4.919 20 0 JJADRN COC(=O)C[C@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001445636227 1066596970 /nfs/dbraw/zinc/59/69/70/1066596970.db2.gz ZMUPKNDLVMZFSS-QFTJCQGQSA-N 0 0 450.560 4.694 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCSC2)s1 ZINC001361250489 1066597356 /nfs/dbraw/zinc/59/73/56/1066597356.db2.gz XSLKSVDBLYQGME-SFHVURJKSA-N 0 0 485.498 4.643 20 0 JJADRN CCCN(C(=O)Cc1ccc(C)cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639403 1066597282 /nfs/dbraw/zinc/59/72/82/1066597282.db2.gz VRHRMIMFWCIVHQ-UHFFFAOYSA-N 0 0 453.421 4.938 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CCN1C(=O)OC(C)(C)C ZINC001456489175 1066597431 /nfs/dbraw/zinc/59/74/31/1066597431.db2.gz HCXBWENTSQJYKS-NHCUHLMSSA-N 0 0 458.628 4.749 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)s1 ZINC001361250916 1066597766 /nfs/dbraw/zinc/59/77/66/1066597766.db2.gz DSPBVAJKJKHUFB-UHFFFAOYSA-N 0 0 465.392 4.890 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@@H]2CCOC2)o1 ZINC001361251026 1066597904 /nfs/dbraw/zinc/59/79/04/1066597904.db2.gz GMDOLXRUVQQCMG-GOSISDBHSA-N 0 0 493.377 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CCC(c4ccc(O)cc4)CC3)o2)CC1 ZINC001445648803 1066597925 /nfs/dbraw/zinc/59/79/25/1066597925.db2.gz SYIFBSSKINKGJX-UHFFFAOYSA-N 0 0 455.555 4.515 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H](O)C2)o1 ZINC001361251078 1066598311 /nfs/dbraw/zinc/59/83/11/1066598311.db2.gz HOFHEEJSJKQVAG-SJORKVTESA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001492598183 1066598316 /nfs/dbraw/zinc/59/83/16/1066598316.db2.gz KIVCUDFGSKPFSU-VWNXMTODSA-N 0 0 497.684 4.569 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)c1 ZINC001456492311 1066598305 /nfs/dbraw/zinc/59/83/05/1066598305.db2.gz JZTSXIZZTJSZLN-UHFFFAOYSA-N 0 0 453.568 4.769 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)Oc1ccccc1 ZINC001456492105 1066598468 /nfs/dbraw/zinc/59/84/68/1066598468.db2.gz JUWMSMXOOGUWES-KXBFYZLASA-N 0 0 452.473 4.855 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC001445652899 1066598526 /nfs/dbraw/zinc/59/85/26/1066598526.db2.gz VEGFAKHHFKBPNK-INIZCTEOSA-N 0 0 458.967 4.704 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC001456494204 1066598902 /nfs/dbraw/zinc/59/89/02/1066598902.db2.gz MIDWBPCDWBYAJH-RTWAWAEBSA-N 0 0 458.628 4.797 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC001445659760 1066599352 /nfs/dbraw/zinc/59/93/52/1066599352.db2.gz YDGOIROZFKYLJD-UHFFFAOYSA-N 0 0 450.579 4.965 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(=O)NCC(F)F)o1 ZINC001361251531 1066599505 /nfs/dbraw/zinc/59/95/05/1066599505.db2.gz WBFHFTUFGYRMFH-UHFFFAOYSA-N 0 0 489.523 4.732 20 0 JJADRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)c12 ZINC001456496913 1066599773 /nfs/dbraw/zinc/59/97/73/1066599773.db2.gz XTZRACQHYVFECF-MRXNPFEDSA-N 0 0 456.587 4.818 20 0 JJADRN C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Oc1ccccc1 ZINC001456496185 1066599801 /nfs/dbraw/zinc/59/98/01/1066599801.db2.gz PSTKXTGIHRQFKT-CYBMUJFWSA-N 0 0 451.363 4.766 20 0 JJADRN O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)no1 ZINC001445670300 1066599810 /nfs/dbraw/zinc/59/98/10/1066599810.db2.gz KEZCUTORUZQZSF-INIZCTEOSA-N 0 0 456.123 4.874 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(-c2cccc(Br)c2)no1 ZINC001445670302 1066599882 /nfs/dbraw/zinc/59/98/82/1066599882.db2.gz KEZCUTORUZQZSF-MRXNPFEDSA-N 0 0 456.123 4.874 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)s1 ZINC001361252367 1066599914 /nfs/dbraw/zinc/59/99/14/1066599914.db2.gz JXOOTZSMTGGXAP-MRXNPFEDSA-N 0 0 458.632 4.783 20 0 JJADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC001361253140 1066600983 /nfs/dbraw/zinc/60/09/83/1066600983.db2.gz NVXVYAONQDYIRE-UHFFFAOYSA-N 0 0 456.498 4.731 20 0 JJADRN CCn1c(SCC(=O)N2CC(CC(F)(F)F)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001445676067 1066601040 /nfs/dbraw/zinc/60/10/40/1066601040.db2.gz DOJUJVKHLYGRPU-UHFFFAOYSA-N 0 0 453.317 4.775 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001492598208 1066601137 /nfs/dbraw/zinc/60/11/37/1066601137.db2.gz KTZHQQXRIXHYCS-FXAWDEMLSA-N 0 0 452.521 4.554 20 0 JJADRN COc1ccc(-n2nc(C(=O)N3CCC[C@H]3c3c(C)nn(CC(C)C)c3Cl)cc2C)cc1 ZINC001445676307 1066601077 /nfs/dbraw/zinc/60/10/77/1066601077.db2.gz FZESGAAZGJXONY-NRFANRHFSA-N 0 0 455.990 4.981 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001445679317 1066601134 /nfs/dbraw/zinc/60/11/34/1066601134.db2.gz NVXOPKUCXNMUAM-UHOFOFEASA-N 0 0 472.943 4.982 20 0 JJADRN Cc1cc([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)[nH]n1 ZINC001456500027 1066601534 /nfs/dbraw/zinc/60/15/34/1066601534.db2.gz XXYZYEGEZKJUOQ-KRWDZBQOSA-N 0 0 457.328 4.693 20 0 JJADRN Cn1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(-c2ccccc2Cl)n1 ZINC001456499479 1066601742 /nfs/dbraw/zinc/60/17/42/1066601742.db2.gz CEWHASXWTIMNOP-AWEZNQCLSA-N 0 0 459.775 4.512 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001445681056 1066601853 /nfs/dbraw/zinc/60/18/53/1066601853.db2.gz SMRWDWKGOAQGEZ-OPAMFIHVSA-N 0 0 456.990 4.514 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001445680955 1066601876 /nfs/dbraw/zinc/60/18/76/1066601876.db2.gz GNMCJQYVAAXYFL-RTBURBONSA-N 0 0 477.671 4.627 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1oc(C2CC2)nc1C(F)F ZINC001456502735 1066602918 /nfs/dbraw/zinc/60/29/18/1066602918.db2.gz ADCGRHFQCSRDIZ-UHFFFAOYSA-N 0 0 451.271 4.944 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2CC)CC1 ZINC001445684495 1066602969 /nfs/dbraw/zinc/60/29/69/1066602969.db2.gz MVJIZRLCXIBNMH-UHFFFAOYSA-N 0 0 450.608 4.653 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC001445684441 1066603055 /nfs/dbraw/zinc/60/30/55/1066603055.db2.gz MKLIIDIJIUDCGM-UHFFFAOYSA-N 0 0 453.633 4.932 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 ZINC001456503680 1066603733 /nfs/dbraw/zinc/60/37/33/1066603733.db2.gz FMQGOCIIUSKXSM-UHFFFAOYSA-N 0 0 458.312 4.676 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@@H]2C)o1 ZINC001361255428 1066603842 /nfs/dbraw/zinc/60/38/42/1066603842.db2.gz LKPZBBYNTBYZOB-SESVDKBCSA-N 0 0 487.645 4.603 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCc2ccccc21 ZINC001456503919 1066604243 /nfs/dbraw/zinc/60/42/43/1066604243.db2.gz GGZSISROSNEOSN-IBGZPJMESA-N 0 0 456.258 4.603 20 0 JJADRN CCc1n[nH]c(=O)c(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)c1CC ZINC001445690935 1066604390 /nfs/dbraw/zinc/60/43/90/1066604390.db2.gz PBSLKVDGFAETJM-UHFFFAOYSA-N 0 0 450.486 4.688 20 0 JJADRN O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456505020 1066604268 /nfs/dbraw/zinc/60/42/68/1066604268.db2.gz JABGHBXPCNRBEJ-UHFFFAOYSA-N 0 0 450.283 4.671 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cs1 ZINC001456504881 1066604301 /nfs/dbraw/zinc/60/43/01/1066604301.db2.gz PIMYMUFNYGYSSZ-CQSZACIVSA-N 0 0 458.381 4.590 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)C2)cc(OC)c1 ZINC001445694774 1066605103 /nfs/dbraw/zinc/60/51/03/1066605103.db2.gz WIWSDRSZFUTRMG-IBGZPJMESA-N 0 0 455.555 4.768 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)cc(OC)c1 ZINC001445692276 1066605133 /nfs/dbraw/zinc/60/51/33/1066605133.db2.gz QKZCGOKQJFHTOU-BULFRSBZSA-N 0 0 459.384 4.673 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC001456508318 1066605597 /nfs/dbraw/zinc/60/55/97/1066605597.db2.gz CHYBBACANFZUSB-KRWDZBQOSA-N 0 0 454.452 4.686 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546082934 1066605613 /nfs/dbraw/zinc/60/56/13/1066605613.db2.gz GFUMTMWGAYBEOB-IBVKSMDESA-N 0 0 483.657 4.667 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001456509363 1066605709 /nfs/dbraw/zinc/60/57/09/1066605709.db2.gz DLJVIOVAEIVBBM-BOCKYXSRSA-N 0 0 454.542 4.901 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)cc1 ZINC001445695482 1066605712 /nfs/dbraw/zinc/60/57/12/1066605712.db2.gz CZSJUCPQJAGHMO-OAHLLOKOSA-N 0 0 459.388 4.627 20 0 JJADRN CC(C)Oc1ccc([C@@H](O)CNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc1 ZINC001445703606 1066606295 /nfs/dbraw/zinc/60/62/95/1066606295.db2.gz FUZLBVVRNYESAD-IBGZPJMESA-N 0 0 452.776 4.771 20 0 JJADRN COc1cc(/C=C\C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc(Br)c1O ZINC001456510776 1066606399 /nfs/dbraw/zinc/60/63/99/1066606399.db2.gz MXNDQWSLNASTBK-XBKFQHLESA-N 0 0 456.336 4.644 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)s1 ZINC001361257901 1066606337 /nfs/dbraw/zinc/60/63/37/1066606337.db2.gz LGQVBGDECHTZAE-DEOSSOPVSA-N 0 0 468.026 4.831 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001445700590 1066606400 /nfs/dbraw/zinc/60/64/00/1066606400.db2.gz KLTWUPYPNQKXRA-QWFCFKBJSA-N 0 0 460.619 4.631 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)s1 ZINC001361258052 1066606921 /nfs/dbraw/zinc/60/69/21/1066606921.db2.gz NCSLDIRMXRAHSV-HXUWFJFHSA-N 0 0 467.683 4.752 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001445704019 1066606953 /nfs/dbraw/zinc/60/69/53/1066606953.db2.gz QRKHTRCXHJYQJX-AZUAARDMSA-N 0 0 458.356 4.736 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361257940 1066606987 /nfs/dbraw/zinc/60/69/87/1066606987.db2.gz LYDRRBJFBOCZSQ-SFHVURJKSA-N 0 0 481.950 4.944 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)s1 ZINC001361258051 1066607010 /nfs/dbraw/zinc/60/70/10/1066607010.db2.gz NCSLDIRMXRAHSV-FQEVSTJZSA-N 0 0 467.683 4.752 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC001361258169 1066607034 /nfs/dbraw/zinc/60/70/34/1066607034.db2.gz PKGISMLQPWGDCR-UHFFFAOYSA-N 0 0 471.483 4.791 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC001445706613 1066607591 /nfs/dbraw/zinc/60/75/91/1066607591.db2.gz WSYLRRBEIQXOHO-GOSISDBHSA-N 0 0 453.583 4.936 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001456513015 1066607506 /nfs/dbraw/zinc/60/75/06/1066607506.db2.gz HXNBDCNBCZEWTP-OWLYRPNTSA-N 0 0 456.505 4.888 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)OC)cc1 ZINC001445709193 1066608642 /nfs/dbraw/zinc/60/86/42/1066608642.db2.gz ZZTWLMJRXLWSNG-IAGOWNOFSA-N 0 0 457.596 4.705 20 0 JJADRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 ZINC001456516571 1066609035 /nfs/dbraw/zinc/60/90/35/1066609035.db2.gz FMRLKHUXDGODLJ-HXUWFJFHSA-N 0 0 450.564 4.973 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456515726 1066609080 /nfs/dbraw/zinc/60/90/80/1066609080.db2.gz MUSDNWHURLFDCL-UHFFFAOYSA-N 0 0 457.111 4.501 20 0 JJADRN CC/C(=C/C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC)cc1 ZINC001445712424 1066609233 /nfs/dbraw/zinc/60/92/33/1066609233.db2.gz NSHSGEAVEOFVLQ-OOXMNIKJSA-N 0 0 453.892 4.951 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)c3ccccc3n2)o1 ZINC001456515520 1066609185 /nfs/dbraw/zinc/60/91/85/1066609185.db2.gz PMHIVHIADJFVRK-UHFFFAOYSA-N 0 0 458.505 4.736 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(F)(F)Br)s1 ZINC001361259306 1066609776 /nfs/dbraw/zinc/60/97/76/1066609776.db2.gz XYOBMVONUIKREQ-UHFFFAOYSA-N 0 0 462.389 4.628 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1noc(C)n1 ZINC001456516622 1066609779 /nfs/dbraw/zinc/60/97/79/1066609779.db2.gz GFKAIBGGSHFVGD-HXUWFJFHSA-N 0 0 456.930 4.666 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc2c(c(Br)c1)OCO2 ZINC001456518097 1066609809 /nfs/dbraw/zinc/60/98/09/1066609809.db2.gz IWKGGPWGHPKORS-UHFFFAOYSA-N 0 0 454.202 4.635 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1COc2ccc(Br)cc21 ZINC001456516724 1066609829 /nfs/dbraw/zinc/60/98/29/1066609829.db2.gz HMBBZWNWVUREPG-MRXNPFEDSA-N 0 0 452.230 4.768 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC001456518159 1066609835 /nfs/dbraw/zinc/60/98/35/1066609835.db2.gz KCSZKBIBBNCLQG-UHFFFAOYSA-N 0 0 457.861 4.590 20 0 JJADRN Cc1c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cnn1CC(C)C ZINC001456516910 1066609892 /nfs/dbraw/zinc/60/98/92/1066609892.db2.gz LWAVMRCYBJUDTB-UHFFFAOYSA-N 0 0 454.615 4.546 20 0 JJADRN COc1cccc2c1CC[C@H]2NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001445717171 1066609967 /nfs/dbraw/zinc/60/99/67/1066609967.db2.gz BSNZKRSXUCTZGW-GOSISDBHSA-N 0 0 457.596 4.684 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)c1noc(C)n1 ZINC001456519377 1066610498 /nfs/dbraw/zinc/61/04/98/1066610498.db2.gz PWDYGAPINNOVAW-OAQYLSRUSA-N 0 0 450.882 4.747 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718788 1066610522 /nfs/dbraw/zinc/61/05/22/1066610522.db2.gz JSGVDSHVOXOIQK-INIZCTEOSA-N 0 0 454.571 4.727 20 0 JJADRN COCc1nc2sc(C(=O)N[C@@H](C)c3ccc(OCC4CC4)c(F)c3)c(C)c2c(OC)n1 ZINC001445717998 1066610532 /nfs/dbraw/zinc/61/05/32/1066610532.db2.gz FLTBSRZVSULFLH-ZDUSSCGKSA-N 0 0 459.543 4.574 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@H](O)C2)o1 ZINC001361260983 1066610923 /nfs/dbraw/zinc/61/09/23/1066610923.db2.gz CPONIQQVJUUMAG-MJGOQNOKSA-N 0 0 489.414 4.709 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001456521308 1066611038 /nfs/dbraw/zinc/61/10/38/1066611038.db2.gz WVARIIQVFQPLCX-BDYUSTAISA-N 0 0 456.586 4.761 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001456519877 1066611191 /nfs/dbraw/zinc/61/11/91/1066611191.db2.gz SYKDCKUIGVNTOZ-MRXNPFEDSA-N 0 0 450.988 4.772 20 0 JJADRN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC001445719452 1066611199 /nfs/dbraw/zinc/61/11/99/1066611199.db2.gz LYBNUVNZRSCHGP-QHCPKHFHSA-N 0 0 450.560 4.530 20 0 JJADRN Cn1nc(C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cc1Br ZINC001456521760 1066611628 /nfs/dbraw/zinc/61/16/28/1066611628.db2.gz ZTOVBUHZOULSNW-UHFFFAOYSA-N 0 0 456.325 4.746 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546083031 1066611657 /nfs/dbraw/zinc/61/16/57/1066611657.db2.gz HWOYWCZBOQMAIX-WMZHIEFXSA-N 0 0 483.579 4.534 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)o1 ZINC001361261004 1066611737 /nfs/dbraw/zinc/61/17/37/1066611737.db2.gz DHRCJBZRXWNMEN-PGRDOPGGSA-N 0 0 485.654 4.649 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445725622 1066611792 /nfs/dbraw/zinc/61/17/92/1066611792.db2.gz UWAHMXJDFYOFAC-QFIPXVFZSA-N 0 0 451.979 4.929 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2Cl)c1 ZINC001456523287 1066612376 /nfs/dbraw/zinc/61/23/76/1066612376.db2.gz QRAVVHRYYWIOEX-XDHUDOTRSA-N 0 0 452.913 4.746 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3csc(N(C)c4ccccc4)n3)C2)cc(OC)c1 ZINC001445731052 1066612539 /nfs/dbraw/zinc/61/25/39/1066612539.db2.gz RWWBAXMBOIROKH-KRWDZBQOSA-N 0 0 452.580 4.645 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001456525299 1066612826 /nfs/dbraw/zinc/61/28/26/1066612826.db2.gz TYCKJNZPFIAJFO-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@H](O)c1ccccc1Cl ZINC001445737552 1066612940 /nfs/dbraw/zinc/61/29/40/1066612940.db2.gz AZJDZYQXICZIAG-YADHBBJMSA-N 0 0 457.357 4.704 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445734026 1066613000 /nfs/dbraw/zinc/61/30/00/1066613000.db2.gz CLDLBOZITBXMEQ-STQMWFEESA-N 0 0 450.284 4.747 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC001456526447 1066613590 /nfs/dbraw/zinc/61/35/90/1066613590.db2.gz ATQNQXCGUOFDSH-JOCHJYFZSA-N 0 0 455.396 4.879 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001456526268 1066613601 /nfs/dbraw/zinc/61/36/01/1066613601.db2.gz ADSYOTVROLHNAK-FQEVSTJZSA-N 0 0 455.555 4.835 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1 ZINC001456528577 1066614279 /nfs/dbraw/zinc/61/42/79/1066614279.db2.gz NTVKDXXUMZOZGR-QGZVFWFLSA-N 0 0 456.568 4.564 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2OCCC2(C)C)s1 ZINC001361261710 1066614170 /nfs/dbraw/zinc/61/41/70/1066614170.db2.gz HYLNKFALSBXHLS-NSHGMRRFSA-N 0 0 489.686 4.870 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)s1 ZINC001361261719 1066614187 /nfs/dbraw/zinc/61/41/87/1066614187.db2.gz WKAPNECEFSFGAP-HNNXBMFYSA-N 0 0 459.538 4.919 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)o1 ZINC001361261618 1066614254 /nfs/dbraw/zinc/61/42/54/1066614254.db2.gz VEFAQINGXGCDQF-UHFFFAOYSA-N 0 0 462.598 4.669 20 0 JJADRN CC(C)(C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccccc1Br ZINC001445754936 1066614449 /nfs/dbraw/zinc/61/44/49/1066614449.db2.gz SSCQSBDFSWIFSJ-AWEZNQCLSA-N 0 0 458.318 4.713 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001545978628 1066615255 /nfs/dbraw/zinc/61/52/55/1066615255.db2.gz HUTWZSHNVRMGGI-UHFFFAOYSA-N 0 0 450.367 4.527 20 0 JJADRN CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001361262516 1066616048 /nfs/dbraw/zinc/61/60/48/1066616048.db2.gz LFFKXBUUMHHPNR-QHCPKHFHSA-N 0 0 455.963 4.774 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001456534491 1066616219 /nfs/dbraw/zinc/61/62/19/1066616219.db2.gz PNFWUAKXMTULRQ-QYFOZDBKSA-N 0 0 452.601 4.545 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C)nc2)s1 ZINC001361263764 1066616539 /nfs/dbraw/zinc/61/65/39/1066616539.db2.gz LLMGCDMKUWONQE-UHFFFAOYSA-N 0 0 481.025 4.620 20 0 JJADRN CC[C@@](C)(NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1nc(C)cs1 ZINC001456536356 1066616654 /nfs/dbraw/zinc/61/66/54/1066616654.db2.gz QIUTUAKWVFEQRK-QGZVFWFLSA-N 0 0 454.781 4.503 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC001445785977 1066617378 /nfs/dbraw/zinc/61/73/78/1066617378.db2.gz WGHJARQRJDHWSW-LJQANCHMSA-N 0 0 451.485 4.559 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)ncn1 ZINC001456537212 1066617415 /nfs/dbraw/zinc/61/74/15/1066617415.db2.gz ATJUJGZXTOZOBZ-UHFFFAOYSA-N 0 0 455.362 4.749 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)C12CCC2 ZINC001456537344 1066617439 /nfs/dbraw/zinc/61/74/39/1066617439.db2.gz VLCHEGNQKRPEFA-SJORKVTESA-N 0 0 451.386 4.659 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)C12CCC2 ZINC001456537343 1066617505 /nfs/dbraw/zinc/61/75/05/1066617505.db2.gz VLCHEGNQKRPEFA-IRXDYDNUSA-N 0 0 451.386 4.659 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cnc(CNC(=O)OC(C)(C)C)s3)cn2)cc1 ZINC001456537334 1066617512 /nfs/dbraw/zinc/61/75/12/1066617512.db2.gz WEPMORQCFURPTE-UHFFFAOYSA-N 0 0 456.524 4.616 20 0 JJADRN CO[C@H](C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccc(Br)s1 ZINC001456537113 1066617520 /nfs/dbraw/zinc/61/75/20/1066617520.db2.gz SYPYGEKYRRETJI-HNNXBMFYSA-N 0 0 459.203 4.809 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(OCCCC(C)C)c1 ZINC001445790184 1066617521 /nfs/dbraw/zinc/61/75/21/1066617521.db2.gz QMRDUNFHLVSJIH-UHFFFAOYSA-N 0 0 453.004 4.765 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cnn(-c4cccc(C)c4)c3C)ccc2C)ccn1 ZINC001361265921 1066617945 /nfs/dbraw/zinc/61/79/45/1066617945.db2.gz KDXDXPOWADLXSK-UHFFFAOYSA-N 0 0 455.518 4.597 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(C(=O)c4ccco4)c3)ccc2C)ccn1 ZINC001361265897 1066618066 /nfs/dbraw/zinc/61/80/66/1066618066.db2.gz JRKURYHYYJVHSU-UHFFFAOYSA-N 0 0 455.470 4.618 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C)C2)cn1 ZINC001361266767 1066618550 /nfs/dbraw/zinc/61/85/50/1066618550.db2.gz FSRZLGGUQMYHKW-OALUTQOASA-N 0 0 455.990 4.665 20 0 JJADRN CC[C@H]1[C@@H](C(=O)NCC2(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001456538586 1066618701 /nfs/dbraw/zinc/61/87/01/1066618701.db2.gz XVXNVIPKRNUMGX-ROUUACIJSA-N 0 0 451.405 4.633 20 0 JJADRN Cc1cc([C@@H](NC(=O)CCn2c3ccccc3n(C)c2=O)c2ccccc2Cl)ccc1F ZINC001361266028 1066618592 /nfs/dbraw/zinc/61/85/92/1066618592.db2.gz WIUZKVDHOCWEIC-XMMPIXPASA-N 0 0 451.929 4.737 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@H](O)c1c(F)cccc1F ZINC001445793244 1066618722 /nfs/dbraw/zinc/61/87/22/1066618722.db2.gz BNILLXZZNJTCRQ-OFNKIYASSA-N 0 0 456.464 4.907 20 0 JJADRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001445793268 1066618787 /nfs/dbraw/zinc/61/87/87/1066618787.db2.gz AZLJLZIBSPLULP-JTQLQIEISA-N 0 0 458.647 4.715 20 0 JJADRN O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001445793273 1066618799 /nfs/dbraw/zinc/61/87/99/1066618799.db2.gz AZLJLZIBSPLULP-SNVBAGLBSA-N 0 0 458.647 4.715 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H](O)c1c(Cl)cccc1Cl ZINC001445795262 1066618808 /nfs/dbraw/zinc/61/88/08/1066618808.db2.gz FXBOYXISLPEKKS-IYOUNJFTSA-N 0 0 457.398 4.569 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC001456539334 1066619291 /nfs/dbraw/zinc/61/92/91/1066619291.db2.gz AIKUTPMELAVHSH-UHFFFAOYSA-N 0 0 451.158 4.947 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)cc21 ZINC001445797504 1066619414 /nfs/dbraw/zinc/61/94/14/1066619414.db2.gz HSLZYRUJIYMAMI-NIVTXAMTSA-N 0 0 455.711 4.583 20 0 JJADRN Cc1cc(C(=O)NC[C@H](O)COCC2CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001445797499 1066619421 /nfs/dbraw/zinc/61/94/21/1066619421.db2.gz IYFDXIMESWNSRH-BEFAXECRSA-N 0 0 451.394 4.992 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1OC ZINC001361267392 1066619803 /nfs/dbraw/zinc/61/98/03/1066619803.db2.gz KLWDQGPXEUWELS-XDHUDOTRSA-N 0 0 453.560 4.565 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001445797898 1066620017 /nfs/dbraw/zinc/62/00/17/1066620017.db2.gz GXAXXWUVWHETNP-NRFANRHFSA-N 0 0 454.452 4.600 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCOCC(C)C)CCO1 ZINC001546083192 1066620594 /nfs/dbraw/zinc/62/05/94/1066620594.db2.gz KBSRRUNYUJLEAM-QFIPXVFZSA-N 0 0 465.436 4.776 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(=O)n1C ZINC001361267839 1066620632 /nfs/dbraw/zinc/62/06/32/1066620632.db2.gz PSLMDPRRGVANKI-HKUYNNGSSA-N 0 0 484.044 4.999 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@H](O)c1c(F)cccc1F ZINC001445802158 1066620756 /nfs/dbraw/zinc/62/07/56/1066620756.db2.gz JOZQXFKJQGJVNU-UWJYYQICSA-N 0 0 456.518 4.700 20 0 JJADRN Cc1cc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)ncn1 ZINC001456543074 1066620825 /nfs/dbraw/zinc/62/08/25/1066620825.db2.gz OOWJQZSNGCPPGB-UHFFFAOYSA-N 0 0 457.481 4.933 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456544954 1066621230 /nfs/dbraw/zinc/62/12/30/1066621230.db2.gz MWQMKNFUEFIHSY-IBGZPJMESA-N 0 0 458.400 4.534 20 0 JJADRN C[C@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](O)c1c(F)cccc1Cl ZINC001445805775 1066621419 /nfs/dbraw/zinc/62/14/19/1066621419.db2.gz PFXWOYQSSRNFNT-NQZBTDCJSA-N 0 0 459.867 4.685 20 0 JJADRN COc1cccc([C@H](O)CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)c1 ZINC001445806756 1066621445 /nfs/dbraw/zinc/62/14/45/1066621445.db2.gz VQKMYPFRHCAFPL-AREMUKBSSA-N 0 0 455.558 4.687 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001445812056 1066621990 /nfs/dbraw/zinc/62/19/90/1066621990.db2.gz CNSYCLMKORXGFW-HNNXBMFYSA-N 0 0 455.477 4.773 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC001456547846 1066622555 /nfs/dbraw/zinc/62/25/55/1066622555.db2.gz RVZJNOKVVSWRFI-DVECYGJZSA-N 0 0 459.428 4.959 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001445815141 1066622601 /nfs/dbraw/zinc/62/26/01/1066622601.db2.gz GLSGGHPCENTUQO-HOCLYGCPSA-N 0 0 459.400 4.967 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445817871 1066622665 /nfs/dbraw/zinc/62/26/65/1066622665.db2.gz MHZSLWDBBBRNMX-XCLFUZPHSA-N 0 0 454.350 4.566 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001456549687 1066622671 /nfs/dbraw/zinc/62/26/71/1066622671.db2.gz XQLZIDMWYRBNPT-UHFFFAOYSA-N 0 0 450.402 4.748 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ccccc2SCc2cscn2)CC1 ZINC001456551149 1066622917 /nfs/dbraw/zinc/62/29/17/1066622917.db2.gz LUIJSOPMKZLOME-UHFFFAOYSA-N 0 0 458.527 4.783 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445817202 1066622995 /nfs/dbraw/zinc/62/29/95/1066622995.db2.gz YEZOOUOCQXQAPU-HXPMCKFVSA-N 0 0 454.354 4.516 20 0 JJADRN CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361269358 1066623041 /nfs/dbraw/zinc/62/30/41/1066623041.db2.gz HXCKOIKFAJWHKV-TZIWHRDSSA-N 0 0 456.542 4.873 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@@H](O)c1ccccc1F ZINC001445818021 1066623115 /nfs/dbraw/zinc/62/31/15/1066623115.db2.gz UCEPJEMEYOAHOL-HOTGVXAUSA-N 0 0 452.217 4.988 20 0 JJADRN CC[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)[C@H](O)c1ccccc1F ZINC001445818026 1066623158 /nfs/dbraw/zinc/62/31/58/1066623158.db2.gz UCEPJEMEYOAHOL-JKSUJKDBSA-N 0 0 452.217 4.988 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ccc(C)nc2Sc2ccccc2)CC1 ZINC001456554504 1066623698 /nfs/dbraw/zinc/62/36/98/1066623698.db2.gz AXCOMQIXCRJWCT-UHFFFAOYSA-N 0 0 452.498 4.889 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@H](C)c1ccc(C)cc1)C2 ZINC001456552289 1066623774 /nfs/dbraw/zinc/62/37/74/1066623774.db2.gz PEYVGURWSOECPC-UWJYYQICSA-N 0 0 454.567 4.598 20 0 JJADRN CO[C@](C)(C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1ccccc1F ZINC001361270293 1066624190 /nfs/dbraw/zinc/62/41/90/1066624190.db2.gz GXRWJCRTTLFKOO-KIMHZCHSSA-N 0 0 454.464 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001456556951 1066624264 /nfs/dbraw/zinc/62/42/64/1066624264.db2.gz UBFQMKXWUCIBBY-FQEVSTJZSA-N 0 0 457.796 4.777 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)c(C)c3)CC2)c(C)c1 ZINC001456560221 1066624906 /nfs/dbraw/zinc/62/49/06/1066624906.db2.gz ZWZQVGJEVDEOJJ-UHFFFAOYSA-N 0 0 458.624 4.747 20 0 JJADRN CCn1c(C)cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)c1C ZINC001456559324 1066624924 /nfs/dbraw/zinc/62/49/24/1066624924.db2.gz AHCCXGRVYCXQJP-NRFANRHFSA-N 0 0 450.364 4.967 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001361271863 1066624807 /nfs/dbraw/zinc/62/48/07/1066624807.db2.gz DUKVKFYJTJYCAH-GOSISDBHSA-N 0 0 453.612 4.714 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC001361271746 1066624818 /nfs/dbraw/zinc/62/48/18/1066624818.db2.gz AHCYMMADGSOHSO-IBGZPJMESA-N 0 0 481.044 4.727 20 0 JJADRN COc1ccc(OCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1C ZINC001361271649 1066624981 /nfs/dbraw/zinc/62/49/81/1066624981.db2.gz XAHVPSVZYNVNEU-HOTGVXAUSA-N 0 0 452.473 4.654 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccncc3Br)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361271482 1066625032 /nfs/dbraw/zinc/62/50/32/1066625032.db2.gz UGMFKHZRYRRZAU-VXGBXAGGSA-N 0 0 458.278 4.729 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001445843776 1066625427 /nfs/dbraw/zinc/62/54/27/1066625427.db2.gz LZBSMDADCPTVIT-RCDICMHDSA-N 0 0 455.958 4.562 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC(C)(C)OC[C@@H]2C)cn1 ZINC001361272091 1066625615 /nfs/dbraw/zinc/62/56/15/1066625615.db2.gz CDFKPFWROQTBDX-KRWDZBQOSA-N 0 0 470.415 4.771 20 0 JJADRN O=C(OCc1ccc(Cl)nc1)c1cc(I)ccc1N1CCCCC1 ZINC001456563952 1066625497 /nfs/dbraw/zinc/62/54/97/1066625497.db2.gz QZDYOSTVPFBZHK-UHFFFAOYSA-N 0 0 456.711 4.687 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1 ZINC001456561815 1066625568 /nfs/dbraw/zinc/62/55/68/1066625568.db2.gz JOHMQKKRTPRRMA-LBPRGKRZSA-N 0 0 459.395 4.857 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccnc(OCC(F)F)c2)c1C ZINC001456561936 1066625734 /nfs/dbraw/zinc/62/57/34/1066625734.db2.gz OHYAGHGUPVUPER-UHFFFAOYSA-N 0 0 451.271 4.543 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(C)(C)OC(C)(C)C2)cn1 ZINC001361272096 1066626296 /nfs/dbraw/zinc/62/62/96/1066626296.db2.gz CHHKQARWTXQZAQ-UHFFFAOYSA-N 0 0 457.525 4.692 20 0 JJADRN CC(C)(C)C(=O)Nc1nccnc1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001445853218 1066626528 /nfs/dbraw/zinc/62/65/28/1066626528.db2.gz PJHMGIUQVQKUQO-UHFFFAOYSA-N 0 0 457.372 4.696 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCOC(C)(C)C2)c(F)c1 ZINC001361272315 1066626841 /nfs/dbraw/zinc/62/68/41/1066626841.db2.gz FDWDIWGSIZBVMG-UHFFFAOYSA-N 0 0 465.392 4.880 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)c(=O)n1C ZINC001361272391 1066626847 /nfs/dbraw/zinc/62/68/47/1066626847.db2.gz GKNIAWPHJYKZHD-WMLDXEAASA-N 0 0 490.471 4.839 20 0 JJADRN Cc1noc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(Br)cc3)cc2)n1 ZINC001456566144 1066627113 /nfs/dbraw/zinc/62/71/13/1066627113.db2.gz WCPPXEMHOXKUBK-UHFFFAOYSA-N 0 0 452.312 4.862 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001361272695 1066627695 /nfs/dbraw/zinc/62/76/95/1066627695.db2.gz JXULBZCSIKRVJC-OAQYLSRUSA-N 0 0 483.016 4.796 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)CC[C@@H]2C)c(=O)n1C ZINC001361272805 1066627703 /nfs/dbraw/zinc/62/77/03/1066627703.db2.gz QQRBLTCITPDCIH-HOCLYGCPSA-N 0 0 488.405 4.527 20 0 JJADRN CCCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001456566893 1066627812 /nfs/dbraw/zinc/62/78/12/1066627812.db2.gz UWIAZRSIMNLVLT-VUVPASRNSA-N 0 0 452.639 4.915 20 0 JJADRN Cc1cccc([C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001456568468 1066627830 /nfs/dbraw/zinc/62/78/30/1066627830.db2.gz URQKANLNDGJMRI-JOCHJYFZSA-N 0 0 454.567 4.936 20 0 JJADRN CCCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001456566862 1066627843 /nfs/dbraw/zinc/62/78/43/1066627843.db2.gz UWIAZRSIMNLVLT-RPSDQGFSSA-N 0 0 452.639 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2ccc(C)cc2)o1 ZINC001361272933 1066628200 /nfs/dbraw/zinc/62/82/00/1066628200.db2.gz MDZNISLZKPIFQU-GOSISDBHSA-N 0 0 451.571 4.649 20 0 JJADRN CCOc1cc(CCCNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)ccc1OC ZINC001456570622 1066628392 /nfs/dbraw/zinc/62/83/92/1066628392.db2.gz UIFGWTZTIJZXKN-UHFFFAOYSA-N 0 0 455.986 4.972 20 0 JJADRN CCCc1c(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C)c1 ZINC001445866923 1066628418 /nfs/dbraw/zinc/62/84/18/1066628418.db2.gz LEDBRRARCKVLCB-IBGZPJMESA-N 0 0 459.512 4.733 20 0 JJADRN Cc1cccc([C@@H](NC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)C(=O)OC(C)(C)C)c1 ZINC001456569800 1066628486 /nfs/dbraw/zinc/62/84/86/1066628486.db2.gz WRAGOQOFTJGBHU-QGZVFWFLSA-N 0 0 450.413 4.673 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cn1 ZINC001361273236 1066628822 /nfs/dbraw/zinc/62/88/22/1066628822.db2.gz XBJLFGJDNYVIMH-SCLBCKFNSA-N 0 0 469.870 4.645 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1oc2ccccc2c1Br ZINC001445870503 1066629148 /nfs/dbraw/zinc/62/91/48/1066629148.db2.gz QRUUIMWIYNTCRB-ZDUSSCGKSA-N 0 0 456.258 4.795 20 0 JJADRN O=C(COC(c1ccccc1)c1ccccc1)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC001445868449 1066629171 /nfs/dbraw/zinc/62/91/71/1066629171.db2.gz MNRSGIBOVLTNKI-HXUWFJFHSA-N 0 0 457.492 4.779 20 0 JJADRN CCc1c(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001456572445 1066629116 /nfs/dbraw/zinc/62/91/16/1066629116.db2.gz XULSKLSWZJGTEE-WAIKUNEKSA-N 0 0 456.974 4.776 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2ccc(Br)c(OCC(C)C)c2)cc1Br ZINC001456573432 1066629150 /nfs/dbraw/zinc/62/91/50/1066629150.db2.gz JRLSZJWAIUDBNQ-UHFFFAOYSA-N 0 0 458.150 4.908 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc3cc(OC)ccc3nc2C)n1 ZINC001361273329 1066629494 /nfs/dbraw/zinc/62/94/94/1066629494.db2.gz ONJSOXGBLKQTAR-UHFFFAOYSA-N 0 0 452.898 4.696 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CCO1 ZINC001546083540 1066629527 /nfs/dbraw/zinc/62/95/27/1066629527.db2.gz PBGFUYFHUJPLBR-BUUDZMLXSA-N 0 0 474.671 4.505 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Sc2ccccc2)CCO1 ZINC001546083542 1066629592 /nfs/dbraw/zinc/62/95/92/1066629592.db2.gz PBGFUYFHUJPLBR-ZPZUNKDASA-N 0 0 474.671 4.505 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)c1cc(Br)cc(N)c1N)[C@@H](c1ccccc1)C2 ZINC001445875995 1066629518 /nfs/dbraw/zinc/62/95/18/1066629518.db2.gz ZEMPSPHWERKJAD-OAQYLSRUSA-N 0 0 452.352 4.562 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001545979456 1066629714 /nfs/dbraw/zinc/62/97/14/1066629714.db2.gz AXABLRUCQODPLU-RTBURBONSA-N 0 0 456.635 4.824 20 0 JJADRN CC[C@H](C)[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC001456579319 1066630398 /nfs/dbraw/zinc/63/03/98/1066630398.db2.gz CBHMLDHXRCBWOZ-KBPBESRZSA-N 0 0 450.320 4.708 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)NCc3ccc(N(C)C(=O)c4ccncc4)cc3)nc2)c1 ZINC001456580720 1066630878 /nfs/dbraw/zinc/63/08/78/1066630878.db2.gz BLRRTLUVHGVUPS-UHFFFAOYSA-N 0 0 452.514 4.784 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC(F)(F)F)c(OCC(F)(F)F)c1 ZINC001361274280 1066630831 /nfs/dbraw/zinc/63/08/31/1066630831.db2.gz BYQZKNTZPXNUQD-UHFFFAOYSA-N 0 0 459.394 4.636 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361274749 1066631660 /nfs/dbraw/zinc/63/16/60/1066631660.db2.gz IDBKCZLPUSWABE-HXUWFJFHSA-N 0 0 480.588 4.672 20 0 JJADRN Cc1nn(CC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(C)c1Cl ZINC001456581430 1066631740 /nfs/dbraw/zinc/63/17/40/1066631740.db2.gz FMZOVOTYQUGLLL-UHFFFAOYSA-N 0 0 453.970 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)CC3(O)CCCC3)ccc21 ZINC001445892697 1066631866 /nfs/dbraw/zinc/63/18/66/1066631866.db2.gz PURQFTWAJFVPJN-UHFFFAOYSA-N 0 0 450.579 4.932 20 0 JJADRN COc1cccc(OCCCNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC001456582822 1066632282 /nfs/dbraw/zinc/63/22/82/1066632282.db2.gz ZSBRRPOVUZWJIB-UHFFFAOYSA-N 0 0 458.514 4.822 20 0 JJADRN CC(=O)Nc1ccc(CC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 ZINC001456583300 1066632349 /nfs/dbraw/zinc/63/23/49/1066632349.db2.gz HYJIFFSPALFMBM-UHFFFAOYSA-N 0 0 458.558 4.589 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3[C@H]4C[C@H]4CN3C(=O)OC(C)(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361275448 1066632758 /nfs/dbraw/zinc/63/27/58/1066632758.db2.gz WCDPFDBXZGVELA-LGFDOBSYSA-N 0 0 483.531 4.513 20 0 JJADRN CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(I)cc2N)CC1 ZINC001456584704 1066633018 /nfs/dbraw/zinc/63/30/18/1066633018.db2.gz GQZVQMNBVDDWNK-UHFFFAOYSA-N 0 0 453.299 4.501 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N(C)C(=O)c4ccncc4)cc3)o2)cc1 ZINC001456583931 1066633060 /nfs/dbraw/zinc/63/30/60/1066633060.db2.gz FFABELKAYYYUFN-UHFFFAOYSA-N 0 0 453.498 4.751 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccn2)c(OCC(F)(F)F)c1 ZINC001361275958 1066633673 /nfs/dbraw/zinc/63/36/73/1066633673.db2.gz ZVLIPTNSVLXHAX-UHFFFAOYSA-N 0 0 468.483 4.669 20 0 JJADRN C/C=C\COc1cccc(CC(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2NCC)c1 ZINC001445910196 1066633675 /nfs/dbraw/zinc/63/36/75/1066633675.db2.gz KKELZJDXYGBIIX-HYXAFXHYSA-N 0 0 456.486 4.548 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC001445911847 1066633697 /nfs/dbraw/zinc/63/36/97/1066633697.db2.gz QWUHWUQVNVYCRS-CQSZACIVSA-N 0 0 459.390 4.667 20 0 JJADRN O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001456586295 1066633790 /nfs/dbraw/zinc/63/37/90/1066633790.db2.gz FTCDOJHRDACUIP-UHFFFAOYSA-N 0 0 456.329 4.665 20 0 JJADRN Cc1cccc([C@H](O)CNC(=O)CCCCCc2ccc(I)cc2)c1 ZINC001445908866 1066633799 /nfs/dbraw/zinc/63/37/99/1066633799.db2.gz LVSRJXKLKMEVMN-HXUWFJFHSA-N 0 0 451.348 4.552 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H]2C(C)C)c(OCC(F)(F)F)c1 ZINC001361276533 1066634008 /nfs/dbraw/zinc/63/40/08/1066634008.db2.gz HLUFWNPTQRUCDU-LJQANCHMSA-N 0 0 462.520 4.601 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1C ZINC001456587218 1066634473 /nfs/dbraw/zinc/63/44/73/1066634473.db2.gz MMMFKMJKAXOQPQ-FGZHOGPDSA-N 0 0 465.594 4.926 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361277263 1066634871 /nfs/dbraw/zinc/63/48/71/1066634871.db2.gz SVZHTZAIOBHNFY-HXUWFJFHSA-N 0 0 477.531 4.822 20 0 JJADRN Cc1ccc(SC2(CNC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CCCC2)cc1 ZINC001361277468 1066634941 /nfs/dbraw/zinc/63/49/41/1066634941.db2.gz WRVJDGPTFPMEAB-QHCPKHFHSA-N 0 0 450.648 4.997 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC001445918787 1066635007 /nfs/dbraw/zinc/63/50/07/1066635007.db2.gz JNWDRUGDPWCYBO-GOSISDBHSA-N 0 0 453.476 4.894 20 0 JJADRN COc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1-c1ccccc1 ZINC001445916194 1066635018 /nfs/dbraw/zinc/63/50/18/1066635018.db2.gz CQNNGCRBHXVIEC-SFHVURJKSA-N 0 0 459.464 4.842 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361277702 1066635458 /nfs/dbraw/zinc/63/54/58/1066635458.db2.gz BHLOCGKXFQICLP-SFHVURJKSA-N 0 0 457.594 4.735 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c(C)c1 ZINC001361277805 1066635463 /nfs/dbraw/zinc/63/54/63/1066635463.db2.gz FVSLCRCVYPLPNI-FQEVSTJZSA-N 0 0 459.516 4.861 20 0 JJADRN CC(C)C[C@@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(=O)OC(C)(C)C ZINC001445923897 1066635603 /nfs/dbraw/zinc/63/56/03/1066635603.db2.gz SMOLSZBWBWYWBO-JOCHJYFZSA-N 0 0 459.631 4.514 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC1CC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001456592239 1066635682 /nfs/dbraw/zinc/63/56/82/1066635682.db2.gz RARHYDKJDKZURF-OAQYLSRUSA-N 0 0 453.341 4.933 20 0 JJADRN Cc1nnc(SCC(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)n1-c1cc(C)ccc1C ZINC001456593018 1066636183 /nfs/dbraw/zinc/63/61/83/1066636183.db2.gz AUCYPSDPQBDVMY-HXUWFJFHSA-N 0 0 452.580 4.518 20 0 JJADRN Cc1nnc(SCC(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)n1-c1cc(C)ccc1C ZINC001456592959 1066636205 /nfs/dbraw/zinc/63/62/05/1066636205.db2.gz AUCYPSDPQBDVMY-FQEVSTJZSA-N 0 0 452.580 4.518 20 0 JJADRN CN(C(=O)Cn1c(=O)cnc2ccccc21)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001361278657 1066636101 /nfs/dbraw/zinc/63/61/01/1066636101.db2.gz DGTYZKYRYKYTPY-UHFFFAOYSA-N 0 0 452.341 4.951 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)C(F)F ZINC001445929547 1066636184 /nfs/dbraw/zinc/63/61/84/1066636184.db2.gz OFYXUEMEVYOEJY-MRXNPFEDSA-N 0 0 450.448 4.960 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929527 1066636277 /nfs/dbraw/zinc/63/62/77/1066636277.db2.gz YERZBSIHDVSLRV-AEFFLSMTSA-N 0 0 453.501 4.617 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456592650 1066636212 /nfs/dbraw/zinc/63/62/12/1066636212.db2.gz JALVZFAGQREQPU-WXVAWEFUSA-N 0 0 450.579 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NC[C@H]3SCCc4ccccc43)o2)CC1 ZINC001361278971 1066636699 /nfs/dbraw/zinc/63/66/99/1066636699.db2.gz LYANSEFQVHGCSE-HXUWFJFHSA-N 0 0 457.596 4.550 20 0 JJADRN COc1ccccc1C1(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CCC1 ZINC001456595295 1066636776 /nfs/dbraw/zinc/63/67/76/1066636776.db2.gz BLMKCQKPQMNUHL-UHFFFAOYSA-N 0 0 451.544 4.951 20 0 JJADRN CC(C)CO[C@H]1CCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445934385 1066636736 /nfs/dbraw/zinc/63/67/36/1066636736.db2.gz NBEVEZIJPGSJRA-FQEVSTJZSA-N 0 0 450.579 4.531 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](COC)C1)Oc1ccccc1F ZINC001545979915 1066637416 /nfs/dbraw/zinc/63/74/16/1066637416.db2.gz KTZHMWLPZDHAKO-PMACEKPBSA-N 0 0 453.562 4.508 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361280359 1066637417 /nfs/dbraw/zinc/63/74/17/1066637417.db2.gz CFSDDLLZHIVRQO-HXUWFJFHSA-N 0 0 457.594 4.877 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCc2ccc(Br)cc2)cn1 ZINC001361280424 1066637470 /nfs/dbraw/zinc/63/74/70/1066637470.db2.gz FBHYWPZMUNKMBG-NRFANRHFSA-N 0 0 470.415 4.713 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361280358 1066637495 /nfs/dbraw/zinc/63/74/95/1066637495.db2.gz CFSDDLLZHIVRQO-FQEVSTJZSA-N 0 0 457.594 4.877 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(F)cc3OCC3CC3)o2)CC1 ZINC001456596468 1066637439 /nfs/dbraw/zinc/63/74/39/1066637439.db2.gz VLLIUNMKOBZVJP-UHFFFAOYSA-N 0 0 459.518 4.969 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nccs1)Oc1ccccc1F ZINC001545979950 1066637448 /nfs/dbraw/zinc/63/74/48/1066637448.db2.gz LKHXMSLLYHFYLN-QGZVFWFLSA-N 0 0 452.559 4.738 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](COC)C1)Oc1ccccc1F ZINC001545979918 1066637472 /nfs/dbraw/zinc/63/74/72/1066637472.db2.gz KTZHMWLPZDHAKO-WOJBJXKFSA-N 0 0 453.562 4.508 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cccc(CNc3ccncn3)c2)c1 ZINC001445936613 1066637536 /nfs/dbraw/zinc/63/75/36/1066637536.db2.gz QYRZLZUGZSEITM-AREMUKBSSA-N 0 0 452.558 4.773 20 0 JJADRN CC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456600097 1066638003 /nfs/dbraw/zinc/63/80/03/1066638003.db2.gz RFUFRUZTKIZREM-BJKOFHAPSA-N 0 0 450.579 4.592 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCc3cccc(OC)c32)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456601241 1066638680 /nfs/dbraw/zinc/63/86/80/1066638680.db2.gz GXTDJKFBRZKPAW-DNVJHFABSA-N 0 0 450.579 4.763 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)CCc2ccc(O)cc2)[C@H]1c1ccc(OC)cc1 ZINC001445949720 1066638884 /nfs/dbraw/zinc/63/88/84/1066638884.db2.gz JPDQYFKNDSMKDR-VFHOHQAYSA-N 0 0 452.595 4.618 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Oc3ccc(NC(=O)C(C)C)cc3)cc2)cc1 ZINC001445945562 1066638894 /nfs/dbraw/zinc/63/88/94/1066638894.db2.gz MKISSPMOXVHSBD-UHFFFAOYSA-N 0 0 452.532 4.610 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)CCc2ccc(O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001445949721 1066638964 /nfs/dbraw/zinc/63/89/64/1066638964.db2.gz JPDQYFKNDSMKDR-YLORPAJWSA-N 0 0 452.595 4.618 20 0 JJADRN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC001456603064 1066639365 /nfs/dbraw/zinc/63/93/65/1066639365.db2.gz MAGGIKHZCWYDME-OAQYLSRUSA-N 0 0 456.652 4.736 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001361281508 1066639285 /nfs/dbraw/zinc/63/92/85/1066639285.db2.gz GPJPOOAOEMCPGL-QGZVFWFLSA-N 0 0 489.686 4.815 20 0 JJADRN COc1cc(/C=C/C(=O)N2CCc3c(F)ccc(F)c3C2)ccc1OCc1c(C)noc1C ZINC001361281643 1066639430 /nfs/dbraw/zinc/63/94/30/1066639430.db2.gz ATCHWQJVJDWEFQ-WEVVVXLNSA-N 0 0 454.473 4.755 20 0 JJADRN O=C(N1CCc2c(F)cc(Br)cc2C1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001445953634 1066639611 /nfs/dbraw/zinc/63/96/11/1066639611.db2.gz SQEDNXSVXGZPFQ-UHFFFAOYSA-N 0 0 450.323 4.652 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001456604752 1066640048 /nfs/dbraw/zinc/64/00/48/1066640048.db2.gz KTTPFLRVZBLVRL-YLJYHZDGSA-N 0 0 457.640 4.979 20 0 JJADRN COc1cc(OC)cc(OCCCNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)c1 ZINC001445964181 1066640299 /nfs/dbraw/zinc/64/02/99/1066640299.db2.gz QSMKYMJOZUBUIX-UHFFFAOYSA-N 0 0 450.535 4.650 20 0 JJADRN O=C(Nc1cccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1)c1cccnc1 ZINC001445969551 1066640941 /nfs/dbraw/zinc/64/09/41/1066640941.db2.gz LZPYDQMUXXJZPB-UHFFFAOYSA-N 0 0 458.345 4.666 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001445967808 1066641041 /nfs/dbraw/zinc/64/10/41/1066641041.db2.gz HQHGLAZWYZRNMB-LBPRGKRZSA-N 0 0 457.374 4.977 20 0 JJADRN CCOC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)nc1C ZINC001456606557 1066641403 /nfs/dbraw/zinc/64/14/03/1066641403.db2.gz ZEHIOFWLLDSOLB-UHFFFAOYSA-N 0 0 450.335 4.779 20 0 JJADRN CC[C@H](CNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)Cc1cccc(Br)c1 ZINC001456607568 1066641521 /nfs/dbraw/zinc/64/15/21/1066641521.db2.gz RVMGLBRCCXANKG-MBSDFSHPSA-N 0 0 457.412 4.888 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)COC)CCO1 ZINC001546083400 1066641568 /nfs/dbraw/zinc/64/15/68/1066641568.db2.gz MVVYKRIZHYGRCU-UZUQRXQVSA-N 0 0 451.011 4.749 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCSC[C@H]2C)c(F)c1 ZINC001361283043 1066641575 /nfs/dbraw/zinc/64/15/75/1066641575.db2.gz YXLFBIKTTKJALF-UYAOXDASSA-N 0 0 489.661 4.830 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)N4C)cc2)cc1 ZINC001361283744 1066641614 /nfs/dbraw/zinc/64/16/14/1066641614.db2.gz FLIAJRMNCXRZRA-WOJBJXKFSA-N 0 0 457.574 4.712 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)N4C)cc2)cc1 ZINC001361283742 1066641624 /nfs/dbraw/zinc/64/16/24/1066641624.db2.gz FLIAJRMNCXRZRA-UXHICEINSA-N 0 0 457.574 4.712 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1Cl ZINC001445980449 1066641549 /nfs/dbraw/zinc/64/15/49/1066641549.db2.gz KNTOLLTUIOOOEA-UHFFFAOYSA-N 0 0 459.362 4.799 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(O[C@@H]2CCOC2)c1 ZINC001361284396 1066642236 /nfs/dbraw/zinc/64/22/36/1066642236.db2.gz FHJWGICDUGETFW-SVFBPWRDSA-N 0 0 458.672 4.721 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)S[C@@H](C)C2)c(O[C@H]2CCOC2)c1 ZINC001361284397 1066642351 /nfs/dbraw/zinc/64/23/51/1066642351.db2.gz FHJWGICDUGETFW-ZJOUEHCJSA-N 0 0 458.672 4.721 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)o1 ZINC001456609063 1066642414 /nfs/dbraw/zinc/64/24/14/1066642414.db2.gz UYRKHCHUUZMYHN-ZJSXRUAMSA-N 0 0 452.595 4.993 20 0 JJADRN CC1(C)Cc2cc(NC(=O)Cc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc2O1 ZINC001445995341 1066642506 /nfs/dbraw/zinc/64/25/06/1066642506.db2.gz BOGVCYVRQPDMJS-UHFFFAOYSA-N 0 0 454.523 4.521 20 0 JJADRN O=C(NCCCOc1ccc2ccccc2c1)c1ccn(-c2ccc(Br)cc2)n1 ZINC001445992441 1066642547 /nfs/dbraw/zinc/64/25/47/1066642547.db2.gz AGSWTLHRCLKJHP-UHFFFAOYSA-N 0 0 450.336 4.987 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001445992732 1066642617 /nfs/dbraw/zinc/64/26/17/1066642617.db2.gz VVAPIKGMCUDTNZ-YQVWRLOYSA-N 0 0 453.421 4.970 20 0 JJADRN CCc1ccc([C@H](C)CC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001445996532 1066643285 /nfs/dbraw/zinc/64/32/85/1066643285.db2.gz MVNJXAQUCDWTEV-GOSISDBHSA-N 0 0 454.567 4.999 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)c(F)c1 ZINC001361285462 1066643855 /nfs/dbraw/zinc/64/38/55/1066643855.db2.gz ZNCZSCQBLZCHFC-IBGZPJMESA-N 0 0 483.636 4.752 20 0 JJADRN O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001456612709 1066643845 /nfs/dbraw/zinc/64/38/45/1066643845.db2.gz BRSOSCJDQXETQS-UHFFFAOYSA-N 0 0 458.889 4.719 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)Nc1ccc(I)c(Cl)c1 ZINC001456615161 1066644115 /nfs/dbraw/zinc/64/41/15/1066644115.db2.gz ANBVUSLKLZOZLU-GMXVVIOVSA-N 0 0 458.731 4.551 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456615493 1066644306 /nfs/dbraw/zinc/64/43/06/1066644306.db2.gz DDOYWTUEVAATCS-NQIIRXRSSA-N 0 0 451.567 4.562 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)s1 ZINC001456615437 1066644391 /nfs/dbraw/zinc/64/43/91/1066644391.db2.gz JGUHIXXHVXZRJA-QGZVFWFLSA-N 0 0 459.203 4.705 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456615539 1066644998 /nfs/dbraw/zinc/64/49/98/1066644998.db2.gz DEXIBRJUWPUYQK-SOLBZPMBSA-N 0 0 458.521 4.773 20 0 JJADRN CCCCCCN(C(=O)c1cnc(C(=O)OC)cn1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC001361286104 1066645073 /nfs/dbraw/zinc/64/50/73/1066645073.db2.gz ISJFZQXSRMBGDV-UHFFFAOYSA-N 0 0 459.959 4.662 20 0 JJADRN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001446013958 1066645810 /nfs/dbraw/zinc/64/58/10/1066645810.db2.gz MRUFPPWDHDVQNF-CXAGYDPISA-N 0 0 452.338 4.561 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001456619048 1066646383 /nfs/dbraw/zinc/64/63/83/1066646383.db2.gz LGIMXGLCDRCIBA-HMXCVIKNSA-N 0 0 464.647 4.630 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)Cc1ccc(Cl)cc1 ZINC001361288251 1066646467 /nfs/dbraw/zinc/64/64/67/1066646467.db2.gz DUHFSHVBXJCIDP-BEFAXECRSA-N 0 0 452.904 4.845 20 0 JJADRN C[C@H]1CN(C(=O)CCCc2ccc(Br)cc2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001456618786 1066646419 /nfs/dbraw/zinc/64/64/19/1066646419.db2.gz KOUWJLNLNPFOIW-WMZOPIPTSA-N 0 0 453.421 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)CC1 ZINC001456620007 1066646997 /nfs/dbraw/zinc/64/69/97/1066646997.db2.gz OASZCAGNIFTGQS-HYBUGGRVSA-N 0 0 456.627 4.966 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC001456619889 1066647038 /nfs/dbraw/zinc/64/70/38/1066647038.db2.gz VFAXMKHZUTTWPO-SFHVURJKSA-N 0 0 454.739 4.938 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001456619353 1066647155 /nfs/dbraw/zinc/64/71/55/1066647155.db2.gz QJAOEADXIUULCX-CYBMUJFWSA-N 0 0 456.494 4.924 20 0 JJADRN Cn1c2cccc(Cl)c2nc1NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001361289241 1066647007 /nfs/dbraw/zinc/64/70/07/1066647007.db2.gz QQKXZDLCFIVQJF-BCTVQRCUSA-N 0 0 454.958 4.790 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2C[C@H](C)C[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598452 1066647111 /nfs/dbraw/zinc/64/71/11/1066647111.db2.gz NGCZLPRTDVTMJN-RVNGOIKDSA-N 0 0 456.631 4.577 20 0 JJADRN O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361288902 1066647194 /nfs/dbraw/zinc/64/71/94/1066647194.db2.gz VHJKTFGEBFTFJZ-OAHLLOKOSA-N 0 0 459.295 4.862 20 0 JJADRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001456621089 1066647660 /nfs/dbraw/zinc/64/76/60/1066647660.db2.gz CDTCDWHKCIYSQV-QGZVFWFLSA-N 0 0 458.480 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)CC1 ZINC001456621236 1066647673 /nfs/dbraw/zinc/64/76/73/1066647673.db2.gz RPXCKSZUGDGSLX-HXUWFJFHSA-N 0 0 456.631 4.793 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001446029008 1066647774 /nfs/dbraw/zinc/64/77/74/1066647774.db2.gz CRGNZYRGGKPQLR-HSZRJFAPSA-N 0 0 458.562 4.528 20 0 JJADRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001446030170 1066647824 /nfs/dbraw/zinc/64/78/24/1066647824.db2.gz FUZYNHLSCDCDKL-NTKDMRAZSA-N 0 0 450.485 4.623 20 0 JJADRN Cc1cc(-c2cc(C(=O)N3CCC(CO)(C(F)(F)F)CC3)c3c(C)noc3n2)c(C)s1 ZINC001456622502 1066648368 /nfs/dbraw/zinc/64/83/68/1066648368.db2.gz DMVBMESCZNGGED-UHFFFAOYSA-N 0 0 453.486 4.654 20 0 JJADRN CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)ccc21 ZINC001456622848 1066648381 /nfs/dbraw/zinc/64/83/81/1066648381.db2.gz BROVTZQZEVEQLI-UHFFFAOYSA-N 0 0 454.596 4.823 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3C)ccc2c1 ZINC001456623928 1066648426 /nfs/dbraw/zinc/64/84/26/1066648426.db2.gz RITHYTZZFXZKSP-AWNIVKPZSA-N 0 0 450.560 4.558 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001492598814 1066648649 /nfs/dbraw/zinc/64/86/49/1066648649.db2.gz PTPKRWGIABNQPU-BDTNDASRSA-N 0 0 499.656 4.741 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC001446032768 1066648680 /nfs/dbraw/zinc/64/86/80/1066648680.db2.gz ZOZROKWNLCNYQI-DEOSSOPVSA-N 0 0 455.583 4.510 20 0 JJADRN O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001446034097 1066648756 /nfs/dbraw/zinc/64/87/56/1066648756.db2.gz IZCBNEZBPHSMCM-LUAWRHEFSA-N 0 0 452.963 4.772 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc(OC)c1 ZINC001446034257 1066648777 /nfs/dbraw/zinc/64/87/77/1066648777.db2.gz GBAWXUZQIPVDJV-SFHVURJKSA-N 0 0 454.592 4.532 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c(C)c1S(=O)(=O)NC1CC1 ZINC001456624219 1066648955 /nfs/dbraw/zinc/64/89/55/1066648955.db2.gz TUEXFPIXMUOHFM-UHFFFAOYSA-N 0 0 456.514 4.942 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 ZINC001456626342 1066649561 /nfs/dbraw/zinc/64/95/61/1066649561.db2.gz LEZQLVBPWLILME-OXQOHEQNSA-N 0 0 474.985 4.913 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456626435 1066649649 /nfs/dbraw/zinc/64/96/49/1066649649.db2.gz AHXXTJBPDLDEBZ-CRAIPNDOSA-N 0 0 459.612 4.817 20 0 JJADRN COc1cc(C[C@H](CO)CNC(=O)c2sc3cccc(Cl)c3c2Cl)cc(OC)c1 ZINC001446038646 1066649852 /nfs/dbraw/zinc/64/98/52/1066649852.db2.gz PFXUSPYZFXJBCR-ZDUSSCGKSA-N 0 0 454.375 4.806 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2sc3cccc(Cl)c3c2Cl)cc(OC)c1 ZINC001446038644 1066649949 /nfs/dbraw/zinc/64/99/49/1066649949.db2.gz PFXUSPYZFXJBCR-CYBMUJFWSA-N 0 0 454.375 4.806 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 ZINC001492599297 1066649950 /nfs/dbraw/zinc/64/99/50/1066649950.db2.gz WECIOQQENKIZSF-CTNGQTDRSA-N 0 0 469.630 4.972 20 0 JJADRN C[C@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1nc(-c2ccc(Br)cc2)no1 ZINC001446043313 1066650567 /nfs/dbraw/zinc/65/05/67/1066650567.db2.gz CRWAJHKASLEHFL-NSHDSACASA-N 0 0 454.280 4.555 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492599493 1066650582 /nfs/dbraw/zinc/65/05/82/1066650582.db2.gz XJFAGOZEEKRDPV-YYTDSSBASA-N 0 0 470.658 4.976 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1)n1nnc(-c2ccccc2)n1 ZINC001446039862 1066650601 /nfs/dbraw/zinc/65/06/01/1066650601.db2.gz YVJKAQUBRRZDAK-LOSJGSFVSA-N 0 0 455.562 4.842 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492599676 1066651110 /nfs/dbraw/zinc/65/11/10/1066651110.db2.gz ACWWESUAGJZRDY-UHFFFAOYSA-N 0 0 494.640 4.792 20 0 JJADRN COc1cc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)ccc1OCc1ccc(Cl)cc1 ZINC001456630182 1066651517 /nfs/dbraw/zinc/65/15/17/1066651517.db2.gz XXIXFUKKPHORRS-UHFFFAOYSA-N 0 0 457.876 4.705 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC001546083844 1066651573 /nfs/dbraw/zinc/65/15/73/1066651573.db2.gz UEFFEVOFRWWOIK-BTKWVRSESA-N 0 0 456.631 4.591 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC1 ZINC001492599838 1066651956 /nfs/dbraw/zinc/65/19/56/1066651956.db2.gz CSDNAXVOKHCLRH-UHFFFAOYSA-N 0 0 458.404 4.670 20 0 JJADRN CC[C@@](C)(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1nccs1 ZINC001456632160 1066652161 /nfs/dbraw/zinc/65/21/61/1066652161.db2.gz YBIPGOILZVRUEB-YCRPNKLZSA-N 0 0 453.008 4.897 20 0 JJADRN C[C@H](CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)N1CCc2ccccc21 ZINC001446051722 1066652544 /nfs/dbraw/zinc/65/25/44/1066652544.db2.gz WFQNGCJPQBRPMF-CABCVRRESA-N 0 0 455.356 4.518 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC001446058467 1066652705 /nfs/dbraw/zinc/65/27/05/1066652705.db2.gz AEHAFXHQBGRBDH-GJZGRUSLSA-N 0 0 459.450 4.985 20 0 JJADRN CCC[C@@H](C)N(C(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)c1nc(C)c(C(=O)OCC)s1 ZINC001456633909 1066652669 /nfs/dbraw/zinc/65/26/69/1066652669.db2.gz ANCNDHBHZMFINF-OXQOHEQNSA-N 0 0 457.596 4.960 20 0 JJADRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001446066920 1066653890 /nfs/dbraw/zinc/65/38/90/1066653890.db2.gz KPTPDYCUGXIITM-GFCCVEGCSA-N 0 0 458.411 4.960 20 0 JJADRN CCOc1cccc(CNC(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1OC(F)F ZINC001446061105 1066654003 /nfs/dbraw/zinc/65/40/03/1066654003.db2.gz LTPHANSSJKIQEH-LPQFERQCSA-N 0 0 454.514 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3ccnc(OCc4ccccc4)c3)ccc21 ZINC001456637313 1066654040 /nfs/dbraw/zinc/65/40/40/1066654040.db2.gz CTVLDWFWYXKFLG-UHFFFAOYSA-N 0 0 459.546 4.888 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@H](C)C2)CCO1 ZINC001546083991 1066654221 /nfs/dbraw/zinc/65/42/21/1066654221.db2.gz WFDHJAFQHZGBNR-HYFFOGBASA-N 0 0 463.420 4.528 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492600750 1066654517 /nfs/dbraw/zinc/65/45/17/1066654517.db2.gz RFPLMJVENXLAAX-GOSISDBHSA-N 0 0 455.990 4.775 20 0 JJADRN CCC[C@@H](C)N(C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456639858 1066654764 /nfs/dbraw/zinc/65/47/64/1066654764.db2.gz LRMQFASKYAFRHL-OXQOHEQNSA-N 0 0 459.612 4.726 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001546084030 1066654779 /nfs/dbraw/zinc/65/47/79/1066654779.db2.gz WXQYGCBCSUUPNN-AMGIVPHBSA-N 0 0 497.684 4.689 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC001446071913 1066655498 /nfs/dbraw/zinc/65/54/98/1066655498.db2.gz QIEVWASYYSKENV-UHFFFAOYSA-N 0 0 453.295 4.763 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCSC2)CCO1 ZINC001546084051 1066655536 /nfs/dbraw/zinc/65/55/36/1066655536.db2.gz XEWBAAVORYAAPU-DRSNIGMVSA-N 0 0 451.036 4.830 20 0 JJADRN O=C(NCc1ccnc(OCc2ccccc2)c1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001456644106 1066656022 /nfs/dbraw/zinc/65/60/22/1066656022.db2.gz UFWJZQLWDMGOAB-UHFFFAOYSA-N 0 0 455.327 4.910 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)ccn1 ZINC001456644248 1066656097 /nfs/dbraw/zinc/65/60/97/1066656097.db2.gz LGTCZPFQBCBDEO-FOIQADDNSA-N 0 0 452.020 4.681 20 0 JJADRN Cc1ccccc1OCCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492600921 1066656298 /nfs/dbraw/zinc/65/62/98/1066656298.db2.gz UFZAPDIFRJPYEP-PMACEKPBSA-N 0 0 455.628 4.646 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC001456644319 1066656788 /nfs/dbraw/zinc/65/67/88/1066656788.db2.gz LNOLJYRBLTXRHT-TYPHKJRUSA-N 0 0 457.571 4.775 20 0 JJADRN Cc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)nn1-c1ccc(Cl)cc1Cl ZINC001456645143 1066656795 /nfs/dbraw/zinc/65/67/95/1066656795.db2.gz XZDUHRYOAPCOEZ-UHFFFAOYSA-N 0 0 459.255 4.754 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCO2)n1Cc1cc(Br)cs1 ZINC001492601941 1066657136 /nfs/dbraw/zinc/65/71/36/1066657136.db2.gz LDMMDEGDODDIQK-LJQANCHMSA-N 0 0 477.428 4.826 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC001446085734 1066657471 /nfs/dbraw/zinc/65/74/71/1066657471.db2.gz IULRBTQWWDOYDO-FUHWJXTLSA-N 0 0 450.501 4.544 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CSc3cc(Cl)ccc3Cl)C2)c1 ZINC001446087259 1066658118 /nfs/dbraw/zinc/65/81/18/1066658118.db2.gz PQKPVAXQBUOOGS-AWEZNQCLSA-N 0 0 455.407 4.745 20 0 JJADRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cc(N2CCNC2=O)ccc1F ZINC001446090715 1066658258 /nfs/dbraw/zinc/65/82/58/1066658258.db2.gz AWGGZUJMOHKFQZ-UHFFFAOYSA-N 0 0 450.417 4.750 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492602484 1066658396 /nfs/dbraw/zinc/65/83/96/1066658396.db2.gz RZRLUTXGEFLACG-RBUKOAKNSA-N 0 0 479.547 4.518 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1F ZINC001456651458 1066658652 /nfs/dbraw/zinc/65/86/52/1066658652.db2.gz VCGIBYWMGXGZGR-UHFFFAOYSA-N 0 0 450.514 4.800 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC001456651836 1066658682 /nfs/dbraw/zinc/65/86/82/1066658682.db2.gz WVFIFLCASZRYRZ-MZLICYQSSA-N 0 0 451.611 4.511 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C(/C)c1cccc(Cl)c1 ZINC001446091288 1066658903 /nfs/dbraw/zinc/65/89/03/1066658903.db2.gz BYRKUQPEHMOWFH-SSZFMOIBSA-N 0 0 450.004 4.844 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 ZINC001492602636 1066658978 /nfs/dbraw/zinc/65/89/78/1066658978.db2.gz ROJJTXQPFCIUJL-UHFFFAOYSA-N 0 0 473.400 4.516 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 ZINC001492602874 1066659498 /nfs/dbraw/zinc/65/94/98/1066659498.db2.gz YYFREQNKERQMLG-VXKWHMMOSA-N 0 0 497.640 4.866 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 ZINC001492602875 1066659527 /nfs/dbraw/zinc/65/95/27/1066659527.db2.gz YYFREQNKERQMLG-YADHBBJMSA-N 0 0 497.640 4.866 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCOC2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492602985 1066659603 /nfs/dbraw/zinc/65/96/03/1066659603.db2.gz YIROCPPVPWOCJM-LJQANCHMSA-N 0 0 452.521 4.728 20 0 JJADRN Cc1ccccc1OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C ZINC001492602856 1066659637 /nfs/dbraw/zinc/65/96/37/1066659637.db2.gz VHFIKQYNXNFMFP-HXUWFJFHSA-N 0 0 469.630 4.769 20 0 JJADRN CC(C)c1c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cnn1-c1ccccc1Cl ZINC001456653968 1066659994 /nfs/dbraw/zinc/65/99/94/1066659994.db2.gz FVYNMKRUBAWERA-MSOLQXFVSA-N 0 0 473.017 4.978 20 0 JJADRN Cc1cccnc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001492603719 1066660035 /nfs/dbraw/zinc/66/00/35/1066660035.db2.gz VPSMLIPQQXWSKH-PMACEKPBSA-N 0 0 497.043 4.532 20 0 JJADRN Cc1c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456655588 1066660108 /nfs/dbraw/zinc/66/01/08/1066660108.db2.gz NSOWTRKHHAXNIP-SJORKVTESA-N 0 0 478.515 4.529 20 0 JJADRN Cc1ccccc1[C@H]1C[C@H](n2c(CC(C)C)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001492603505 1066660089 /nfs/dbraw/zinc/66/00/89/1066660089.db2.gz OXTUBDDEVUWQRU-YHBQERECSA-N 0 0 453.675 4.698 20 0 JJADRN Cc1cc(Cl)cc2c1N(C(=O)CCc1c(C)nc3nc(C(F)(F)F)nn3c1C)CCC2 ZINC001456656589 1066660742 /nfs/dbraw/zinc/66/07/42/1066660742.db2.gz AGUUHRLIYXFNMJ-UHFFFAOYSA-N 0 0 451.880 4.634 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001456656186 1066660752 /nfs/dbraw/zinc/66/07/52/1066660752.db2.gz CIANHYPIHTYHAW-FXAWDEMLSA-N 0 0 454.617 4.908 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3nc(-c4ccc(NC(C)=O)cc4F)cs3)cc2C1 ZINC001446106053 1066660772 /nfs/dbraw/zinc/66/07/72/1066660772.db2.gz ZXNUHXNFHSLCJJ-CYBMUJFWSA-N 0 0 454.527 4.775 20 0 JJADRN Cc1ccccc1OCCn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001492604498 1066660822 /nfs/dbraw/zinc/66/08/22/1066660822.db2.gz UXMRMUASJFJCPN-QHCPKHFHSA-N 0 0 494.583 4.848 20 0 JJADRN Cc1ccccc1OCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492604443 1066660871 /nfs/dbraw/zinc/66/08/71/1066660871.db2.gz SDLJJPVHCDNLEV-IBGZPJMESA-N 0 0 467.639 4.529 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)C[C@@H]2C1 ZINC001456658317 1066661228 /nfs/dbraw/zinc/66/12/28/1066661228.db2.gz UUHHSWQLLMJBOS-MSOLQXFVSA-N 0 0 470.516 4.525 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001446109547 1066661336 /nfs/dbraw/zinc/66/13/36/1066661336.db2.gz GILHWQYIYRDWOC-WMZOPIPTSA-N 0 0 459.384 4.604 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@](C)(CC)C1)Oc1ccccc1F ZINC001545980696 1066662067 /nfs/dbraw/zinc/66/20/67/1066662067.db2.gz YQMJJSMOOHSWFQ-DFBJGRDBSA-N 0 0 453.562 4.651 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@](C)(CC)C1)Oc1ccccc1F ZINC001545980698 1066662077 /nfs/dbraw/zinc/66/20/77/1066662077.db2.gz YQMJJSMOOHSWFQ-UQBPGWFLSA-N 0 0 453.562 4.651 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1nccs1 ZINC001492605069 1066662217 /nfs/dbraw/zinc/66/22/17/1066662217.db2.gz PBOHEQSVWJIEHP-UHFFFAOYSA-N 0 0 475.441 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC001456665503 1066662477 /nfs/dbraw/zinc/66/24/77/1066662477.db2.gz WHNPNLPYJZVZRR-NRFANRHFSA-N 0 0 456.970 4.859 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOc1ccccc1 ZINC001492605237 1066662496 /nfs/dbraw/zinc/66/24/96/1066662496.db2.gz VKFIGIIKJCYXAX-UHFFFAOYSA-N 0 0 481.398 4.693 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC001456665572 1066662537 /nfs/dbraw/zinc/66/25/37/1066662537.db2.gz WHNPNLPYJZVZRR-OAQYLSRUSA-N 0 0 456.970 4.859 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)c3ccccc3)cc21 ZINC001446113602 1066662542 /nfs/dbraw/zinc/66/25/42/1066662542.db2.gz RBYFGWDZMGPYPA-AREMUKBSSA-N 0 0 457.574 4.968 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001456668307 1066663194 /nfs/dbraw/zinc/66/31/94/1066663194.db2.gz FZAUPSPLDFVQEV-QGZVFWFLSA-N 0 0 453.539 4.533 20 0 JJADRN C[C@H](NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1noc(-c2ccccc2)n1 ZINC001446129307 1066663306 /nfs/dbraw/zinc/66/33/06/1066663306.db2.gz VTTGCBOQIVHMLV-ZDUSSCGKSA-N 0 0 454.412 4.780 20 0 JJADRN COCCOc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1Br ZINC001456669239 1066663688 /nfs/dbraw/zinc/66/36/88/1066663688.db2.gz JXNAHXSOZIFHPQ-UHFFFAOYSA-N 0 0 457.324 4.701 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001492606070 1066663705 /nfs/dbraw/zinc/66/37/05/1066663705.db2.gz ULQWUIZVWWNOIA-NRFANRHFSA-N 0 0 457.981 4.989 20 0 JJADRN Cc1cccnc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCCCC1 ZINC001492606159 1066663839 /nfs/dbraw/zinc/66/38/39/1066663839.db2.gz WKAYYUBFHWBSEG-UHFFFAOYSA-N 0 0 468.646 4.913 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001446139157 1066664056 /nfs/dbraw/zinc/66/40/56/1066664056.db2.gz GIRKISNYJXDTFK-HFZDXXHNSA-N 0 0 456.590 4.749 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC001446140610 1066664671 /nfs/dbraw/zinc/66/46/71/1066664671.db2.gz JWKMRXYJPSEWFY-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CO1 ZINC001456676390 1066664936 /nfs/dbraw/zinc/66/49/36/1066664936.db2.gz ROVFGWFEMKEGAE-AWEZNQCLSA-N 0 0 452.935 4.911 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC001446144082 1066665067 /nfs/dbraw/zinc/66/50/67/1066665067.db2.gz XSFAUBZXUZXMIW-UHFFFAOYSA-N 0 0 453.313 4.904 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001446142864 1066665289 /nfs/dbraw/zinc/66/52/89/1066665289.db2.gz QMKBSOWGYLHOGI-QGZVFWFLSA-N 0 0 457.546 4.730 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)cc1C ZINC001456682053 1066665807 /nfs/dbraw/zinc/66/58/07/1066665807.db2.gz YUTMBGHCHCIUQP-RSXGOPAZSA-N 0 0 478.614 4.743 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@@H]3[C@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492607208 1066665842 /nfs/dbraw/zinc/66/58/42/1066665842.db2.gz IRKDWAITOGPLSQ-IFMALSPDSA-N 0 0 498.672 4.798 20 0 JJADRN Cc1cccnc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492607289 1066665858 /nfs/dbraw/zinc/66/58/58/1066665858.db2.gz LOCYWEVOHKMDQD-SLFFLAALSA-N 0 0 468.646 4.673 20 0 JJADRN O=C(c1cc(Br)c2ccccc2c1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001446145573 1066665941 /nfs/dbraw/zinc/66/59/41/1066665941.db2.gz UEYLFDKIPMEJKM-UHFFFAOYSA-N 0 0 457.755 4.740 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc2cccc(Br)c2n1 ZINC001446151306 1066666326 /nfs/dbraw/zinc/66/63/26/1066666326.db2.gz AALCFIIXZOTZMQ-UHFFFAOYSA-N 0 0 454.324 4.680 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001446145785 1066666372 /nfs/dbraw/zinc/66/63/72/1066666372.db2.gz WRRAEDRKVQBABJ-UHFFFAOYSA-N 0 0 456.876 4.895 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2C[C@](C)(O)C2CCCCC2)cc1C ZINC001492607592 1066666389 /nfs/dbraw/zinc/66/63/89/1066666389.db2.gz ACRTTZUJTBYQOG-SANMLTNESA-N 0 0 451.615 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(OCc3ccccc3F)CC2)c2ccccc21 ZINC001446151958 1066666639 /nfs/dbraw/zinc/66/66/39/1066666639.db2.gz IKTRQIAUQGYMSG-OAQYLSRUSA-N 0 0 454.542 4.872 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001446152223 1066666645 /nfs/dbraw/zinc/66/66/45/1066666645.db2.gz BNPPISMHBSEXBP-AWEZNQCLSA-N 0 0 455.308 4.686 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 ZINC001492607701 1066667212 /nfs/dbraw/zinc/66/72/12/1066667212.db2.gz WGTKIGRKQVKTCC-YLJYHZDGSA-N 0 0 488.430 4.940 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)C)n3CCO[C@H]3CCCC[C@H]3C)CC2)c1 ZINC001492607694 1066667270 /nfs/dbraw/zinc/66/72/70/1066667270.db2.gz DWZIMHJPBKKQPI-GGAORHGYSA-N 0 0 455.647 4.823 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC4CCCC4)n3CCCNC(=O)OC(C)(C)C)CC2)c1 ZINC001492607689 1066667311 /nfs/dbraw/zinc/66/73/11/1066667311.db2.gz DVZVQYDWIMQWGE-UHFFFAOYSA-N 0 0 498.672 4.677 20 0 JJADRN CCN(C(=O)Cc1csc(-c2ccoc2)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001456689807 1066667465 /nfs/dbraw/zinc/66/74/65/1066667465.db2.gz YSTVJZKIOYVSFJ-UHFFFAOYSA-N 0 0 453.612 4.685 20 0 JJADRN Cc1sc2nc(CCC(=O)Nc3ccc4cccc(Br)c4n3)[nH]c(=O)c2c1C ZINC001446156459 1066667387 /nfs/dbraw/zinc/66/73/87/1066667387.db2.gz GDYLADUGOCVMHI-UHFFFAOYSA-N 0 0 457.353 4.896 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001446161387 1066667404 /nfs/dbraw/zinc/66/74/04/1066667404.db2.gz LMULJMAHYNNKHJ-NSHDSACASA-N 0 0 453.335 4.553 20 0 JJADRN COCCNC(=O)[C@H](CC(C)C)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC001446153529 1066667551 /nfs/dbraw/zinc/66/75/51/1066667551.db2.gz CEMBETFNZVKULQ-LBPRGKRZSA-N 0 0 451.803 4.769 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)c1 ZINC001492607943 1066667741 /nfs/dbraw/zinc/66/77/41/1066667741.db2.gz LFMIJGSWZHEFGD-UHFFFAOYSA-N 0 0 477.653 4.894 20 0 JJADRN Cc1cccnc1Cn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492607330 1066667863 /nfs/dbraw/zinc/66/78/63/1066667863.db2.gz MFPFNLFVHDKTRI-XMMPIXPASA-N 0 0 489.542 4.726 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(Cl)cc21 ZINC001456693126 1066668087 /nfs/dbraw/zinc/66/80/87/1066668087.db2.gz OLWKDDXGOUPSGA-MRXNPFEDSA-N 0 0 457.958 4.909 20 0 JJADRN COc1ccc([C@@H](NC(=O)CN(CCc2ccccc2)C(C)=O)c2ccccc2Cl)cc1 ZINC001456692200 1066668217 /nfs/dbraw/zinc/66/82/17/1066668217.db2.gz XISYGAXVUJUSME-AREMUKBSSA-N 0 0 450.966 4.645 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CCCCCC3)CC2)c1 ZINC001492608102 1066668519 /nfs/dbraw/zinc/66/85/19/1066668519.db2.gz QSGQXHPNLHKANP-UHFFFAOYSA-N 0 0 455.647 4.703 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)cs1 ZINC001492607984 1066668553 /nfs/dbraw/zinc/66/85/53/1066668553.db2.gz MFGMFNBFQDPXBB-UHFFFAOYSA-N 0 0 454.644 4.626 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)s1 ZINC001456696005 1066668716 /nfs/dbraw/zinc/66/87/16/1066668716.db2.gz WKGCKTQRHFQLRC-GFCCVEGCSA-N 0 0 455.805 4.624 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)c2ccc(Cl)cc21 ZINC001456695087 1066668751 /nfs/dbraw/zinc/66/87/51/1066668751.db2.gz SBAVBIWSVDOOBW-OAHLLOKOSA-N 0 0 457.958 4.749 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)c3cc(Br)c(C=O)n3C)c2C)c1 ZINC001446175049 1066668824 /nfs/dbraw/zinc/66/88/24/1066668824.db2.gz LSHBDJYICNTHGB-UHFFFAOYSA-N 0 0 457.324 4.748 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](Cn1cccn1)c1ccccc1 ZINC001456696441 1066669535 /nfs/dbraw/zinc/66/95/35/1066669535.db2.gz ZBOIEYPVQUBDJM-GOSISDBHSA-N 0 0 457.374 4.857 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCOCc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC001446181120 1066669607 /nfs/dbraw/zinc/66/96/07/1066669607.db2.gz GHQYNPMUFPMJKE-LJQANCHMSA-N 0 0 454.901 4.517 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001492608849 1066669756 /nfs/dbraw/zinc/66/97/56/1066669756.db2.gz IUGWAUSXCUTYHW-NRFANRHFSA-N 0 0 476.806 4.753 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001456700408 1066670141 /nfs/dbraw/zinc/67/01/41/1066670141.db2.gz BCWLKYAJMSNTOX-UHFFFAOYSA-N 0 0 452.295 4.893 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 ZINC001492609227 1066670340 /nfs/dbraw/zinc/67/03/40/1066670340.db2.gz PKRZKTHQEGBYHJ-UHFFFAOYSA-N 0 0 481.641 4.693 20 0 JJADRN CN1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001446186400 1066670432 /nfs/dbraw/zinc/67/04/32/1066670432.db2.gz DZPOXOSIHUMSNS-NFBKMPQASA-N 0 0 459.974 4.619 20 0 JJADRN CC1=CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001492609184 1066670534 /nfs/dbraw/zinc/67/05/34/1066670534.db2.gz NVKOSVLCLOMFDC-UHFFFAOYSA-N 0 0 499.509 4.863 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001456704403 1066670785 /nfs/dbraw/zinc/67/07/85/1066670785.db2.gz JBNYCBJKISMLNU-JOCHJYFZSA-N 0 0 453.380 4.903 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CC[C@H](C)[C@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001446188187 1066671136 /nfs/dbraw/zinc/67/11/36/1066671136.db2.gz QXSALZQPIIZAOM-RBUKOAKNSA-N 0 0 450.608 4.848 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CCN1CCOCC1(C)C ZINC001492609617 1066671194 /nfs/dbraw/zinc/67/11/94/1066671194.db2.gz SOXWHGVAEVIALL-NRFANRHFSA-N 0 0 488.076 4.956 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545982349 1066671778 /nfs/dbraw/zinc/67/17/78/1066671778.db2.gz KRZXTVPKXBJZIY-WMLDXEAASA-N 0 0 461.557 4.861 20 0 JJADRN CC1=CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCOC2CCOCC2)C1 ZINC001492609882 1066671802 /nfs/dbraw/zinc/67/18/02/1066671802.db2.gz ZLKJTELVMUJLOQ-QFIPXVFZSA-N 0 0 454.615 4.777 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ncccc2N(C)C)C1 ZINC001492610169 1066671952 /nfs/dbraw/zinc/67/19/52/1066671952.db2.gz JUPOVTULPGVXIP-UHFFFAOYSA-N 0 0 471.378 4.512 20 0 JJADRN CC1=CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001492609807 1066671984 /nfs/dbraw/zinc/67/19/84/1066671984.db2.gz XGVQORVMJJGBOF-MRXNPFEDSA-N 0 0 456.591 4.911 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 ZINC001456712903 1066672258 /nfs/dbraw/zinc/67/22/58/1066672258.db2.gz OPPWYSSVQCHWMR-UHFFFAOYSA-N 0 0 452.551 4.711 20 0 JJADRN CN1CC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190514 1066672522 /nfs/dbraw/zinc/67/25/22/1066672522.db2.gz KCYDSBNBTLBQIW-JTHBVZDNSA-N 0 0 457.343 4.682 20 0 JJADRN C[C@@H](C(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1)N1CSCCSC1 ZINC001446191606 1066672709 /nfs/dbraw/zinc/67/27/09/1066672709.db2.gz STVFSELYOMNAOE-KRWDZBQOSA-N 0 0 452.690 4.869 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)sc1C ZINC001492610696 1066672664 /nfs/dbraw/zinc/67/26/64/1066672664.db2.gz FECWDSKRXSONKQ-HXUWFJFHSA-N 0 0 486.686 4.865 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001492611374 1066673410 /nfs/dbraw/zinc/67/34/10/1066673410.db2.gz ADJASFDZMQDACR-UHFFFAOYSA-N 0 0 467.967 4.953 20 0 JJADRN CC1=CCCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCSCC(C)C)C1 ZINC001492611025 1066673454 /nfs/dbraw/zinc/67/34/54/1066673454.db2.gz PGBUGYKKSSCYCY-UHFFFAOYSA-N 0 0 466.655 4.782 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)N3CCc4c(cccc4NC(=O)OC(C)(C)C)C3)ccn2)C1 ZINC001456724896 1066674487 /nfs/dbraw/zinc/67/44/87/1066674487.db2.gz QEOJCLFZPABDDV-GOSISDBHSA-N 0 0 450.583 4.863 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC=C(C)C2)n1CC[S@](=O)C(C)(C)C ZINC001492613039 1066674819 /nfs/dbraw/zinc/67/48/19/1066674819.db2.gz DDWSOHJGUGDMQY-YTTGMZPUSA-N 0 0 479.090 4.955 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCCc4cc(C(C)(C)C)ccc43)=NO2)C1 ZINC001446203852 1066674921 /nfs/dbraw/zinc/67/49/21/1066674921.db2.gz JXQKBPLBBSXOFF-AREMUKBSSA-N 0 0 455.599 4.809 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N3CCSCC3)cc2)cnn1-c1cccc(Br)c1 ZINC001456727296 1066675113 /nfs/dbraw/zinc/67/51/13/1066675113.db2.gz MYIGCOUUBTXOQI-UHFFFAOYSA-N 0 0 457.397 4.749 20 0 JJADRN O=C(OCCCn1nc2ccccn2c1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001456727764 1066675190 /nfs/dbraw/zinc/67/51/90/1066675190.db2.gz NDBVUFFCDGXLTG-UHFFFAOYSA-N 0 0 458.301 4.842 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)CC=CCC1 ZINC001456727400 1066675310 /nfs/dbraw/zinc/67/53/10/1066675310.db2.gz NPCDAKRFXBOJPG-RUZDIDTESA-N 0 0 456.539 4.920 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC=C(C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001492613304 1066675631 /nfs/dbraw/zinc/67/56/31/1066675631.db2.gz PIXPKMRUSWJVST-UHFFFAOYSA-N 0 0 491.583 4.790 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1Br)NC(=O)CCCc1ccc2c(c1)CCCC2 ZINC001456730281 1066675822 /nfs/dbraw/zinc/67/58/22/1066675822.db2.gz HLRCUIDIQQWKEF-QFIPXVFZSA-N 0 0 458.396 4.551 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001492613660 1066676200 /nfs/dbraw/zinc/67/62/00/1066676200.db2.gz DIBUMRPUJXTGGA-AOMKIAJQSA-N 0 0 451.398 4.871 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)C[C@@H]2CCC[C@@H]2O)s1 ZINC001446236566 1066676322 /nfs/dbraw/zinc/67/63/22/1066676322.db2.gz KUTSJNPJMDZGEM-ICSRJNTNSA-N 0 0 451.592 4.724 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)C[C@H]2CCC[C@H]2O)s1 ZINC001446236580 1066676372 /nfs/dbraw/zinc/67/63/72/1066676372.db2.gz KUTSJNPJMDZGEM-UYAOXDASSA-N 0 0 451.592 4.724 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc2cc(Br)ccc2o1 ZINC001456731682 1066676814 /nfs/dbraw/zinc/67/68/14/1066676814.db2.gz QZZYHNSHFUDBNT-UHFFFAOYSA-N 0 0 454.223 4.798 20 0 JJADRN CCCN(C(=O)Cn1cc(C(N)=O)c2ccccc21)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001456732339 1066676896 /nfs/dbraw/zinc/67/68/96/1066676896.db2.gz PYRGUJVSNCPIAE-AREMUKBSSA-N 0 0 458.537 4.611 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001446241109 1066678227 /nfs/dbraw/zinc/67/82/27/1066678227.db2.gz VTBYULJTCGQWRM-AZUAARDMSA-N 0 0 454.514 4.923 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CC1([S@@](C)=O)CC1 ZINC001492614281 1066678491 /nfs/dbraw/zinc/67/84/91/1066678491.db2.gz AXYYPMCEXXTJLO-FZEVHQGJSA-N 0 0 463.047 4.756 20 0 JJADRN CC(C)CSCCCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC001446245249 1066678653 /nfs/dbraw/zinc/67/86/53/1066678653.db2.gz SADDZGLPMVIIMP-UHFFFAOYSA-N 0 0 453.402 4.828 20 0 JJADRN Cc1ccc(C2(C(=O)NCC3(OCCO)CCCCC3)CCCCC2)c(Br)c1 ZINC001456741391 1066678834 /nfs/dbraw/zinc/67/88/34/1066678834.db2.gz LYQCRYGXNIVJBQ-UHFFFAOYSA-N 0 0 452.433 4.787 20 0 JJADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC001446244355 1066678896 /nfs/dbraw/zinc/67/88/96/1066678896.db2.gz VTMAZNATLWKCLD-AVRDEDQJSA-N 0 0 454.636 4.518 20 0 JJADRN COC(=O)CC1(CNC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)[nH]c2=O)CCCC1 ZINC001456738789 1066678970 /nfs/dbraw/zinc/67/89/70/1066678970.db2.gz YAXANGHLOYGDNX-UHFFFAOYSA-N 0 0 451.567 4.571 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1Br ZINC001456740792 1066678987 /nfs/dbraw/zinc/67/89/87/1066678987.db2.gz AFXXSVBJQQGCFM-SFHVURJKSA-N 0 0 453.421 4.746 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456740433 1066679040 /nfs/dbraw/zinc/67/90/40/1066679040.db2.gz VWXHORBCKXXLAR-DSKINZAPSA-N 0 0 457.571 4.706 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001492614718 1066679070 /nfs/dbraw/zinc/67/90/70/1066679070.db2.gz NOSQNRYMIOZJHF-KRWDZBQOSA-N 0 0 457.937 4.841 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCNC(=O)c1ccco1 ZINC001492614468 1066679139 /nfs/dbraw/zinc/67/91/39/1066679139.db2.gz GHZZWIILFOKQAD-IBGZPJMESA-N 0 0 484.000 4.868 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC001456746562 1066679740 /nfs/dbraw/zinc/67/97/40/1066679740.db2.gz KRJPDXGMXGYHPC-IBGZPJMESA-N 0 0 452.580 4.634 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCO[C@H]2CCOC2)CC1 ZINC001492615255 1066680286 /nfs/dbraw/zinc/68/02/86/1066680286.db2.gz GPYLCWQNHNTRQX-KRWDZBQOSA-N 0 0 481.822 4.713 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C(C)C)C2CCC2)c(C)c1 ZINC001456749246 1066680419 /nfs/dbraw/zinc/68/04/19/1066680419.db2.gz IPVCPQQQWUHEMI-UHFFFAOYSA-N 0 0 456.652 4.635 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC001456752409 1066681364 /nfs/dbraw/zinc/68/13/64/1066681364.db2.gz WHERPUFOQLXFSK-AWEZNQCLSA-N 0 0 451.283 4.501 20 0 JJADRN CC(C)(NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccccc1Br ZINC001446264986 1066681278 /nfs/dbraw/zinc/68/12/78/1066681278.db2.gz YOPZNGHCLMZOFA-UHFFFAOYSA-N 0 0 456.262 4.732 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001492615342 1066681267 /nfs/dbraw/zinc/68/12/67/1066681267.db2.gz JMJHLUNWOGWYRV-RTBURBONSA-N 0 0 497.587 4.645 20 0 JJADRN COC(=O)[C@H](CC(F)F)NC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001446269301 1066681832 /nfs/dbraw/zinc/68/18/32/1066681832.db2.gz QJOBAWVLKMDEIR-AWEZNQCLSA-N 0 0 451.388 4.922 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)C1 ZINC001456756301 1066681843 /nfs/dbraw/zinc/68/18/43/1066681843.db2.gz VMDYPDBTGYLGJV-IQZMFCRQSA-N 0 0 450.579 4.516 20 0 JJADRN COc1cc(F)cc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC001446275662 1066683064 /nfs/dbraw/zinc/68/30/64/1066683064.db2.gz QTNFSZSOTRDMTB-UHFFFAOYSA-N 0 0 453.901 4.733 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Nc2nccs2)cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001446275644 1066683122 /nfs/dbraw/zinc/68/31/22/1066683122.db2.gz JGUMATIDSPLFFB-NHCUHLMSSA-N 0 0 450.543 4.724 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001492615830 1066683231 /nfs/dbraw/zinc/68/32/31/1066683231.db2.gz ZXBSZVFDPUUYGT-OAQYLSRUSA-N 0 0 477.403 4.972 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)c1cccc(Br)c1 ZINC001456764534 1066683246 /nfs/dbraw/zinc/68/32/46/1066683246.db2.gz HHEUDBWNPPSNMF-QGZVFWFLSA-N 0 0 459.262 4.515 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Br)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001446279059 1066684484 /nfs/dbraw/zinc/68/44/84/1066684484.db2.gz OXKXBMKTJAIFHB-UHFFFAOYSA-N 0 0 458.316 4.501 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c1 ZINC001456768262 1066684600 /nfs/dbraw/zinc/68/46/00/1066684600.db2.gz RRNBXVSDGXXNHH-UHFFFAOYSA-N 0 0 457.534 4.825 20 0 JJADRN Cc1ccc(OCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)cc1 ZINC001492617916 1066685200 /nfs/dbraw/zinc/68/52/00/1066685200.db2.gz SMPANYUXYOXFGU-QFIPXVFZSA-N 0 0 481.641 4.936 20 0 JJADRN CC(C)c1c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456771074 1066685231 /nfs/dbraw/zinc/68/52/31/1066685231.db2.gz QEZIBWHLJLFJFR-NRFANRHFSA-N 0 0 454.933 4.666 20 0 JJADRN CC1=CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(F)(F)F)CC1 ZINC001492617746 1066685240 /nfs/dbraw/zinc/68/52/40/1066685240.db2.gz NWVKXHXECKJIHU-KRWDZBQOSA-N 0 0 457.541 4.892 20 0 JJADRN Cc1nc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(C)CC2)cs1 ZINC001492617490 1066685252 /nfs/dbraw/zinc/68/52/52/1066685252.db2.gz HTLYNIHIHQJHNO-UHFFFAOYSA-N 0 0 472.659 4.557 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)cc2)cc1 ZINC001446279566 1066685263 /nfs/dbraw/zinc/68/52/63/1066685263.db2.gz ZRFFYDLQANCAAG-QVKFZJNVSA-N 0 0 474.483 4.964 20 0 JJADRN COc1cccc(COC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c1OC(F)F ZINC001456770153 1066685393 /nfs/dbraw/zinc/68/53/93/1066685393.db2.gz PIGLFELEGSPMGT-UHFFFAOYSA-N 0 0 458.248 4.850 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446283671 1066685405 /nfs/dbraw/zinc/68/54/05/1066685405.db2.gz CDYJTXSWGBMYAC-UHFFFAOYSA-N 0 0 452.780 4.817 20 0 JJADRN COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)C2=O)cc1 ZINC001456770822 1066685495 /nfs/dbraw/zinc/68/54/95/1066685495.db2.gz LNMIWLUGAOAWBQ-HSZRJFAPSA-N 0 0 452.913 4.686 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492618174 1066685913 /nfs/dbraw/zinc/68/59/13/1066685913.db2.gz ZFVWLFWDVRPZOL-ZBLYBZFDSA-N 0 0 499.656 4.667 20 0 JJADRN Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001492618754 1066685968 /nfs/dbraw/zinc/68/59/68/1066685968.db2.gz WBEOSROHLTYMOT-UHFFFAOYSA-N 0 0 464.923 4.788 20 0 JJADRN Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492618729 1066685992 /nfs/dbraw/zinc/68/59/92/1066685992.db2.gz URCMYRXPECEODL-FQEVSTJZSA-N 0 0 453.631 4.837 20 0 JJADRN CN(C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001456772277 1066686094 /nfs/dbraw/zinc/68/60/94/1066686094.db2.gz SKUZGYRDABBZDQ-DHIUTWEWSA-N 0 0 452.913 4.863 20 0 JJADRN CC1=CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001492619426 1066686542 /nfs/dbraw/zinc/68/65/42/1066686542.db2.gz UXYOGAGRZJVBRD-UHFFFAOYSA-N 0 0 475.540 4.688 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001446292438 1066686842 /nfs/dbraw/zinc/68/68/42/1066686842.db2.gz PWEMBJKCQPRFLZ-PKARVDPGSA-N 0 0 469.395 4.695 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NC1(C)Cc2ccccc2C1 ZINC001446297181 1066687553 /nfs/dbraw/zinc/68/75/53/1066687553.db2.gz UMOIBBZTFUCXEM-UHFFFAOYSA-N 0 0 455.624 4.853 20 0 JJADRN Cc1ccc(CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C2CC2)cc1C ZINC001456774873 1066687762 /nfs/dbraw/zinc/68/77/62/1066687762.db2.gz DSFFWIOVTXXOCW-UHFFFAOYSA-N 0 0 455.480 4.981 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c(Br)cc1F ZINC001456774342 1066687958 /nfs/dbraw/zinc/68/79/58/1066687958.db2.gz PRYJLZYRBVOICW-UHFFFAOYSA-N 0 0 458.287 4.790 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c(Br)cc1F ZINC001456776530 1066687970 /nfs/dbraw/zinc/68/79/70/1066687970.db2.gz VDUQKFRHVBSEDP-LBPRGKRZSA-N 0 0 450.304 4.956 20 0 JJADRN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001456776836 1066688028 /nfs/dbraw/zinc/68/80/28/1066688028.db2.gz NEILSCSRIYIDOY-SJORKVTESA-N 0 0 455.358 4.780 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001492619884 1066688103 /nfs/dbraw/zinc/68/81/03/1066688103.db2.gz NJYVTRNLCVFALH-JGCGQSQUSA-N 0 0 456.656 4.612 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOc2ccc(F)cc2)CC1 ZINC001492619827 1066688204 /nfs/dbraw/zinc/68/82/04/1066688204.db2.gz LEDINXJZYJQDNU-TYKWCNGQSA-N 0 0 485.604 4.813 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001492619958 1066688559 /nfs/dbraw/zinc/68/85/59/1066688559.db2.gz PTGMCZLBBGYTPH-HBMCJLEFSA-N 0 0 459.635 4.712 20 0 JJADRN CC1=CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001492619990 1066688645 /nfs/dbraw/zinc/68/86/45/1066688645.db2.gz QYNNPEIOLHYFQT-UHFFFAOYSA-N 0 0 460.047 4.783 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492620027 1066689407 /nfs/dbraw/zinc/68/94/07/1066689407.db2.gz SMUORTMRJBACCU-SFHVURJKSA-N 0 0 476.021 4.828 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1(C)C ZINC001456782214 1066689377 /nfs/dbraw/zinc/68/93/77/1066689377.db2.gz MHGZECJEKZFSLT-PLACYPQZSA-N 0 0 465.034 4.953 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001492620171 1066689462 /nfs/dbraw/zinc/68/94/62/1066689462.db2.gz YEZDUIMFEGFHKT-UHFFFAOYSA-N 0 0 453.465 4.676 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545984413 1066689630 /nfs/dbraw/zinc/68/96/30/1066689630.db2.gz JWEDDLQXCIWDSV-OALUTQOASA-N 0 0 473.593 4.646 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccccc3OCC(F)(F)F)C2)c1 ZINC001492620459 1066689828 /nfs/dbraw/zinc/68/98/28/1066689828.db2.gz GBHKLCZQGBUCRN-IBGZPJMESA-N 0 0 476.547 4.911 20 0 JJADRN CCCCCC[C@@H](CC)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC001456785629 1066689883 /nfs/dbraw/zinc/68/98/83/1066689883.db2.gz RNKZFSWACIPDOV-AUSIDOKSSA-N 0 0 453.465 4.797 20 0 JJADRN Cc1cc([C@H](NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C2CC2)ccc1F ZINC001446324411 1066690592 /nfs/dbraw/zinc/69/05/92/1066690592.db2.gz SCCCDQPRMSGSIM-JOCHJYFZSA-N 0 0 458.580 4.555 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCc2cc(F)ccc2C1 ZINC001446329792 1066691229 /nfs/dbraw/zinc/69/12/29/1066691229.db2.gz DJAJTBRGHJXSOD-UHFFFAOYSA-N 0 0 457.299 4.656 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CCSC(F)(F)F)C2)c1 ZINC001492621017 1066691403 /nfs/dbraw/zinc/69/14/03/1066691403.db2.gz QNDUFDCRRSUEOY-KRWDZBQOSA-N 0 0 450.534 4.853 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)C2)c1 ZINC001492621166 1066691412 /nfs/dbraw/zinc/69/14/12/1066691412.db2.gz UJNHYWRHEKXVSH-IBGZPJMESA-N 0 0 462.520 4.737 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CC[C@@H]1[C@@H](C)n2nccc2N[C@H]1C ZINC001446332292 1066692023 /nfs/dbraw/zinc/69/20/23/1066692023.db2.gz GCFNMKXHIFEIAC-BBWFWOEESA-N 0 0 456.978 4.795 20 0 JJADRN Cc1nc(CNC(=O)c2cccc(OCc3ccccc3Br)c2)ccc1[C@@H](C)O ZINC001446332553 1066692072 /nfs/dbraw/zinc/69/20/72/1066692072.db2.gz LKHXCQBLCUUKQP-MRXNPFEDSA-N 0 0 455.352 4.715 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc2s1 ZINC001456794912 1066692186 /nfs/dbraw/zinc/69/21/86/1066692186.db2.gz ZONZEMUQRPPTJO-GOSISDBHSA-N 0 0 454.548 4.762 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CC(C)(C)C(F)(F)F)C2)c1 ZINC001492621572 1066692138 /nfs/dbraw/zinc/69/21/38/1066692138.db2.gz BMSUCBTVWGSLKH-KRWDZBQOSA-N 0 0 480.510 4.931 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)s2)cc1 ZINC001446334551 1066692819 /nfs/dbraw/zinc/69/28/19/1066692819.db2.gz PUKQDBYNTWTHER-QGZVFWFLSA-N 0 0 458.609 4.757 20 0 JJADRN O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N(CCC(F)(F)F)C[C@H](O)CO ZINC001446334254 1066692884 /nfs/dbraw/zinc/69/28/84/1066692884.db2.gz HIBGJCZKQNTEFW-QMMMGPOBSA-N 0 0 450.693 4.609 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001456796844 1066692983 /nfs/dbraw/zinc/69/29/83/1066692983.db2.gz BKZIAKFAYOZLAI-NHCUHLMSSA-N 0 0 480.655 4.745 20 0 JJADRN COC[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC001446339242 1066693327 /nfs/dbraw/zinc/69/33/27/1066693327.db2.gz WJKGGLUGLBKTAF-CJAUYULYSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CCSCC(F)(F)F)CC2)c1 ZINC001492622174 1066693387 /nfs/dbraw/zinc/69/33/87/1066693387.db2.gz IHPFKYJDAOMDLO-UHFFFAOYSA-N 0 0 458.598 4.584 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC001446340295 1066693630 /nfs/dbraw/zinc/69/36/30/1066693630.db2.gz XOEWNHMXQQSIJE-WMLDXEAASA-N 0 0 452.418 4.644 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NCC[C@@H]3C[C@H]3Cc3ccccc3)c2)c1 ZINC001456800713 1066693684 /nfs/dbraw/zinc/69/36/84/1066693684.db2.gz NYJUTWJKHMJMBI-WOJBJXKFSA-N 0 0 474.557 4.660 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)C)n3CCc3cc(Br)ccc3F)C2)c1 ZINC001492622692 1066694310 /nfs/dbraw/zinc/69/43/10/1066694310.db2.gz RQHUTKFKEQXMFF-FQEVSTJZSA-N 0 0 489.437 4.967 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc(Br)c(C)c1N ZINC001446343374 1066694305 /nfs/dbraw/zinc/69/43/05/1066694305.db2.gz VCBYDHICWWQNBF-UHFFFAOYSA-N 0 0 452.150 4.724 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC001446347592 1066694327 /nfs/dbraw/zinc/69/43/27/1066694327.db2.gz YVNJVLAUKWYZPJ-FQEVSTJZSA-N 0 0 457.372 4.661 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001492622835 1066694794 /nfs/dbraw/zinc/69/47/94/1066694794.db2.gz STYXHDSGRZWCDZ-UNMCSNQZSA-N 0 0 499.704 4.643 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC4CCCC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492622907 1066694829 /nfs/dbraw/zinc/69/48/29/1066694829.db2.gz UVZJOFOMGJUOFX-GOTSBHOMSA-N 0 0 499.704 4.907 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC001446349785 1066695033 /nfs/dbraw/zinc/69/50/33/1066695033.db2.gz NIVYEPPMJAEUPW-QGZVFWFLSA-N 0 0 451.658 4.966 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC([C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545984785 1066695066 /nfs/dbraw/zinc/69/50/66/1066695066.db2.gz PLDZJFPXHWLQSE-NHCUHLMSSA-N 0 0 461.651 4.634 20 0 JJADRN CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456804795 1066695710 /nfs/dbraw/zinc/69/57/10/1066695710.db2.gz ASMJCDGXEMNJSC-PKTZIBPZSA-N 0 0 450.579 4.922 20 0 JJADRN CC[C@H](NC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1)c1c(C)noc1C ZINC001446363069 1066696467 /nfs/dbraw/zinc/69/64/67/1066696467.db2.gz QXXVWIMZGHTCIF-SMDDNHRTSA-N 0 0 454.312 4.576 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001456804900 1066696615 /nfs/dbraw/zinc/69/66/15/1066696615.db2.gz SQLYAOSQRSZBOK-GOSISDBHSA-N 0 0 455.967 4.788 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001492624407 1066696730 /nfs/dbraw/zinc/69/67/30/1066696730.db2.gz VJBLWWBOYLHJRN-PMACEKPBSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1c(C(=O)NCC2(c3cccc(Br)c3)CCCC2)sc2nc(C)nc(N)c12 ZINC001446367196 1066696935 /nfs/dbraw/zinc/69/69/35/1066696935.db2.gz YBQJNOBCNNYEDO-UHFFFAOYSA-N 0 0 459.413 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Br)sc1Br)C2 ZINC001456807488 1066697235 /nfs/dbraw/zinc/69/72/35/1066697235.db2.gz CMBMZSVFIDHBMX-IEBDPFPHSA-N 0 0 480.222 4.543 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001456807277 1066697303 /nfs/dbraw/zinc/69/73/03/1066697303.db2.gz ZRIBIRQTEPFLAJ-UHFFFAOYSA-N 0 0 459.775 4.925 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001492624750 1066697564 /nfs/dbraw/zinc/69/75/64/1066697564.db2.gz ZQCBGDJLEWSZIP-MISYRCLQSA-N 0 0 476.547 4.875 20 0 JJADRN Nc1ccc(I)cc1C(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC001446376402 1066697748 /nfs/dbraw/zinc/69/77/48/1066697748.db2.gz HGUACCCLNFGDAM-UHFFFAOYSA-N 0 0 452.311 4.988 20 0 JJADRN C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001446375099 1066697778 /nfs/dbraw/zinc/69/77/78/1066697778.db2.gz CKWWXQSWUZJVHH-SFHVURJKSA-N 0 0 452.501 4.550 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)CSc1nccn1Cc1ccccc1)C(C)C ZINC001446375396 1066697784 /nfs/dbraw/zinc/69/77/84/1066697784.db2.gz IOADCSBFPFKDSI-UHFFFAOYSA-N 0 0 450.608 4.923 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC001446377324 1066697816 /nfs/dbraw/zinc/69/78/16/1066697816.db2.gz JAKCEQJQYDKCBQ-YSZBQJHXSA-N 0 0 456.533 4.633 20 0 JJADRN Cc1cnn(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c1 ZINC001492626582 1066697992 /nfs/dbraw/zinc/69/79/92/1066697992.db2.gz QKNWXCOZSYPVBK-UGKGYDQZSA-N 0 0 485.677 4.613 20 0 JJADRN CCOc1cccc(CCNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001446378554 1066698419 /nfs/dbraw/zinc/69/84/19/1066698419.db2.gz MYNGBIFTGHZMDG-UHFFFAOYSA-N 0 0 452.595 4.713 20 0 JJADRN CCc1ncsc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC001446379466 1066698457 /nfs/dbraw/zinc/69/84/57/1066698457.db2.gz YXYMIQVHZZMVNE-UHFFFAOYSA-N 0 0 453.948 4.860 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC001456811589 1066698613 /nfs/dbraw/zinc/69/86/13/1066698613.db2.gz VLQYSAXQPVNGRX-FOZNTRSISA-N 0 0 455.368 4.738 20 0 JJADRN Cc1cnn(CCn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSC(C)(C)C2)c1 ZINC001492627592 1066698743 /nfs/dbraw/zinc/69/87/43/1066698743.db2.gz DCHUYELVJIBGGT-UHFFFAOYSA-N 0 0 489.089 4.788 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cnc(C2CCCC2)nc1N)C(F)(F)F ZINC001446381499 1066699057 /nfs/dbraw/zinc/69/90/57/1066699057.db2.gz JFNOTXOJSUWPLL-LJQANCHMSA-N 0 0 458.488 4.552 20 0 JJADRN C[C@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001446379940 1066699085 /nfs/dbraw/zinc/69/90/85/1066699085.db2.gz PEDBANLOJQWIIS-IDISGSTGSA-N 0 0 459.590 4.791 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)c1 ZINC001492628271 1066699291 /nfs/dbraw/zinc/69/92/91/1066699291.db2.gz BYNWXZOJHXEKCO-AGILITTLSA-N 0 0 480.657 4.565 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)c1 ZINC001492627975 1066699329 /nfs/dbraw/zinc/69/93/29/1066699329.db2.gz RDYKQQFPDRQLSP-UHFFFAOYSA-N 0 0 480.657 4.754 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC001446384073 1066699845 /nfs/dbraw/zinc/69/98/45/1066699845.db2.gz DBWUGXXCEIYEJZ-UHFFFAOYSA-N 0 0 456.514 4.852 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Cl)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001456816128 1066700112 /nfs/dbraw/zinc/70/01/12/1066700112.db2.gz DTNJUWMYPNZDNG-QGZVFWFLSA-N 0 0 453.901 4.696 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(I)c2Br)[C@@H]2CCCC[C@H]21 ZINC001446738692 1066734691 /nfs/dbraw/zinc/73/46/91/1066734691.db2.gz HJOCFDASTMRBMM-WCABBAIRSA-N 0 0 454.171 4.766 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001456819099 1066700554 /nfs/dbraw/zinc/70/05/54/1066700554.db2.gz JPJGLAMREWWKMY-AWEZNQCLSA-N 0 0 458.183 4.920 20 0 JJADRN O=C(Cc1ccn(CC(F)(F)F)n1)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001456817543 1066700638 /nfs/dbraw/zinc/70/06/38/1066700638.db2.gz HELZVCLJWOMJRX-UHFFFAOYSA-N 0 0 455.234 4.576 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628840 1066700817 /nfs/dbraw/zinc/70/08/17/1066700817.db2.gz NZDGAFGKQPNZGV-UNMCSNQZSA-N 0 0 499.704 4.689 20 0 JJADRN O=C(NCCc1cc(Cl)ccc1Br)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001446390243 1066700851 /nfs/dbraw/zinc/70/08/51/1066700851.db2.gz IPOFHRIPGZDJHU-HXUWFJFHSA-N 0 0 453.783 4.955 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC001456820406 1066701272 /nfs/dbraw/zinc/70/12/72/1066701272.db2.gz WCEFZAWMABGQDA-QUCCMNQESA-N 0 0 458.440 4.612 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001456821597 1066701317 /nfs/dbraw/zinc/70/13/17/1066701317.db2.gz MPJFYPOXJJAZRG-CQSZACIVSA-N 0 0 454.739 4.652 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001456819806 1066701327 /nfs/dbraw/zinc/70/13/27/1066701327.db2.gz LZVIZQRAFPTTSE-AZUAARDMSA-N 0 0 450.432 4.671 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492629491 1066701480 /nfs/dbraw/zinc/70/14/80/1066701480.db2.gz CCGVIZCQMUVXMC-QUCCMNQESA-N 0 0 480.682 4.892 20 0 JJADRN CCn1ncc2cc(C(=O)Nc3ccnc(Oc4ccccc4Br)c3)c(C)nc21 ZINC001456821799 1066701709 /nfs/dbraw/zinc/70/17/09/1066701709.db2.gz OXCDLPVUBJOUGQ-UHFFFAOYSA-N 0 0 452.312 4.962 20 0 JJADRN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001446399012 1066702111 /nfs/dbraw/zinc/70/21/11/1066702111.db2.gz QXALJDGFADQLEC-NRFANRHFSA-N 0 0 456.384 4.665 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492629901 1066702410 /nfs/dbraw/zinc/70/24/10/1066702410.db2.gz JRAONCFZIKSWGR-KRWDZBQOSA-N 0 0 497.669 4.744 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492630021 1066702983 /nfs/dbraw/zinc/70/29/83/1066702983.db2.gz MEZGYMIQAWSBND-UKRRQHHQSA-N 0 0 494.434 4.888 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001492629999 1066703044 /nfs/dbraw/zinc/70/30/44/1066703044.db2.gz LQWHDKUZSBVCCN-QZTJIDSGSA-N 0 0 482.654 4.959 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492630107 1066703529 /nfs/dbraw/zinc/70/35/29/1066703529.db2.gz OBLZZAIKSHJAPE-KBPBESRZSA-N 0 0 462.417 4.501 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630188 1066703574 /nfs/dbraw/zinc/70/35/74/1066703574.db2.gz PMNBWHPRLMECBA-PKOBYXMFSA-N 0 0 482.654 4.865 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001446421353 1066703491 /nfs/dbraw/zinc/70/34/91/1066703491.db2.gz FIVQXBRIDDPXEA-YOEHRIQHSA-N 0 0 454.792 4.788 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC001446426808 1066703995 /nfs/dbraw/zinc/70/39/95/1066703995.db2.gz IHVIZFMCYUIWML-MRXNPFEDSA-N 0 0 450.332 4.610 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CCO1 ZINC001546085162 1066704158 /nfs/dbraw/zinc/70/41/58/1066704158.db2.gz GASJNBVOGOCHOK-QFIPXVFZSA-N 0 0 499.990 4.764 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1cnn(-c2ccccc2)c1C ZINC001446427136 1066704182 /nfs/dbraw/zinc/70/41/82/1066704182.db2.gz XJSCCKPJXXZFGD-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)s1 ZINC001492630386 1066704634 /nfs/dbraw/zinc/70/46/34/1066704634.db2.gz SXNPOPRDPRNLBX-MRXNPFEDSA-N 0 0 453.616 4.511 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)CC2(Cl)Cl)cc1 ZINC001446428219 1066704568 /nfs/dbraw/zinc/70/45/68/1066704568.db2.gz PELYAVDSXUXWCZ-NFBKMPQASA-N 0 0 450.406 4.819 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC001456841586 1066704703 /nfs/dbraw/zinc/70/47/03/1066704703.db2.gz PXEQGSLKOHVDTJ-OAQYLSRUSA-N 0 0 458.396 4.942 20 0 JJADRN C[C@@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)C(=O)Cc1ccccc1 ZINC001446432534 1066705102 /nfs/dbraw/zinc/70/51/02/1066705102.db2.gz SIHQLBPLOAGLFM-OAQYLSRUSA-N 0 0 450.579 4.570 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)NCc3cc4cccnc4cc3Br)sc21 ZINC001446429737 1066705109 /nfs/dbraw/zinc/70/51/09/1066705109.db2.gz FYHCALBQDOXFAL-UHFFFAOYSA-N 0 0 451.296 4.813 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 ZINC001456850170 1066705572 /nfs/dbraw/zinc/70/55/72/1066705572.db2.gz CFYLTJOIUWKMMR-RUZDIDTESA-N 0 0 456.498 4.648 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492630701 1066705625 /nfs/dbraw/zinc/70/56/25/1066705625.db2.gz ZEMXGZDINRRRCK-STJZUHDESA-N 0 0 491.036 4.614 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630602 1066705732 /nfs/dbraw/zinc/70/57/32/1066705732.db2.gz XNZCMZCSQJVYQT-IEBWSBKVSA-N 0 0 499.685 4.593 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492630767 1066706079 /nfs/dbraw/zinc/70/60/79/1066706079.db2.gz AHVBHZOBWFRDJE-LLVKDONJSA-N 0 0 491.465 4.625 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)N1CC(Cc2ccoc2)C1)c1cccc(Br)c1 ZINC001456852608 1066706090 /nfs/dbraw/zinc/70/60/90/1066706090.db2.gz TXBADENRUJYCPA-UHFFFAOYSA-N 0 0 457.299 4.748 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001492630706 1066706192 /nfs/dbraw/zinc/70/61/92/1066706192.db2.gz ZGIGPPYYDCJHKB-VKJFTORMSA-N 0 0 465.545 4.978 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492630742 1066706241 /nfs/dbraw/zinc/70/62/41/1066706241.db2.gz ZTAGRNSAAWDFDG-QRQLOZEOSA-N 0 0 473.618 4.989 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)c1ccccc1Cl ZINC001456852931 1066706314 /nfs/dbraw/zinc/70/63/14/1066706314.db2.gz ITOSEYJBGIWKQT-MBSDFSHPSA-N 0 0 458.002 4.632 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492631049 1066706633 /nfs/dbraw/zinc/70/66/33/1066706633.db2.gz FABBKONAGXJHRZ-LLVKDONJSA-N 0 0 467.546 4.954 20 0 JJADRN COc1ccc(CCCCC(=O)Oc2ccc(C)cc2I)cc1OC ZINC001456856724 1066706707 /nfs/dbraw/zinc/70/67/07/1066706707.db2.gz GADNJFRBKPUCTB-UHFFFAOYSA-N 0 0 454.304 4.935 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CCc2cc(Cl)ccc2Br)n1 ZINC001456855780 1066706734 /nfs/dbraw/zinc/70/67/34/1066706734.db2.gz FAVOIPWZEAWHMX-CYBMUJFWSA-N 0 0 458.784 4.810 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)s1 ZINC001492630952 1066706866 /nfs/dbraw/zinc/70/68/66/1066706866.db2.gz CLLXCSRZZTYWOJ-SFHVURJKSA-N 0 0 498.672 4.660 20 0 JJADRN COc1ccc([C@@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)c2ccccc2Cl)c(C)c1 ZINC001456858875 1066707395 /nfs/dbraw/zinc/70/73/95/1066707395.db2.gz IBQRMHHALYPYCV-RGELYXPASA-N 0 0 454.998 4.948 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631394 1066707790 /nfs/dbraw/zinc/70/77/90/1066707790.db2.gz JWPHMAUQVRLAAB-PKOBYXMFSA-N 0 0 476.691 4.786 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001492631430 1066707800 /nfs/dbraw/zinc/70/78/00/1066707800.db2.gz KQZDTKJQTLUJOA-HOTGVXAUSA-N 0 0 496.578 4.649 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)NCC3(c4ccccc4)CC(O)(C(F)(F)F)C3)nc2)cc1 ZINC001456859953 1066707856 /nfs/dbraw/zinc/70/78/56/1066707856.db2.gz CTRBUFTXCFIIMC-UHFFFAOYSA-N 0 0 456.464 4.937 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cccs1)Oc1ccccc1F ZINC001545986607 1066708445 /nfs/dbraw/zinc/70/84/45/1066708445.db2.gz IALIZCBZEBMFLW-RTBURBONSA-N 0 0 458.603 4.909 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492631684 1066708450 /nfs/dbraw/zinc/70/84/50/1066708450.db2.gz PRQJIEHKVPTVMS-QGZVFWFLSA-N 0 0 457.619 4.566 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(F)c1 ZINC001456864269 1066709133 /nfs/dbraw/zinc/70/91/33/1066709133.db2.gz OCMMHPBIZVXJSM-UHFFFAOYSA-N 0 0 459.477 4.655 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1ccncc1 ZINC001456864133 1066709150 /nfs/dbraw/zinc/70/91/50/1066709150.db2.gz IPWHKFCEJLLHGP-ZDUSSCGKSA-N 0 0 458.381 4.733 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC001492631763 1066708968 /nfs/dbraw/zinc/70/89/68/1066708968.db2.gz QVBSWOYWBVSWHN-IBGZPJMESA-N 0 0 489.649 4.524 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)s1 ZINC001492631963 1066709418 /nfs/dbraw/zinc/70/94/18/1066709418.db2.gz UWHXYGSBBKREIU-QUCCMNQESA-N 0 0 466.655 4.535 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(Cc2ccc(F)cc2)C(C)C)s1 ZINC001492631947 1066709472 /nfs/dbraw/zinc/70/94/72/1066709472.db2.gz UTKHJVLPHBRMGW-INIZCTEOSA-N 0 0 453.591 4.801 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC=C(Br)C2)s1 ZINC001492631954 1066709493 /nfs/dbraw/zinc/70/94/93/1066709493.db2.gz UVAMYMPAMQBNCJ-CJNGLKHVSA-N 0 0 452.422 4.577 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC[C@H]1c1ccc(C)o1 ZINC001446485190 1066709662 /nfs/dbraw/zinc/70/96/62/1066709662.db2.gz HEXBKCQBAZXTEH-CLAROIROSA-N 0 0 458.530 4.504 20 0 JJADRN Cc1ccc(I)cc1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC001456864627 1066709696 /nfs/dbraw/zinc/70/96/96/1066709696.db2.gz KYNKKGCOXCBCOX-UHFFFAOYSA-N 0 0 451.638 4.784 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)s1 ZINC001492632300 1066709988 /nfs/dbraw/zinc/70/99/88/1066709988.db2.gz BCFDYCJUZOGBHB-FQEVSTJZSA-N 0 0 494.709 4.715 20 0 JJADRN COc1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)ccc1OCC(C)C ZINC001446487873 1066710136 /nfs/dbraw/zinc/71/01/36/1066710136.db2.gz BUCGSJDCZJCGMP-HXUWFJFHSA-N 0 0 457.571 4.944 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)C2)s1 ZINC001492632421 1066710549 /nfs/dbraw/zinc/71/05/49/1066710549.db2.gz DXIZCIJBPYWGMT-AEFFLSMTSA-N 0 0 490.674 4.534 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)s1 ZINC001492632435 1066710960 /nfs/dbraw/zinc/71/09/60/1066710960.db2.gz FCNCYHUFJKVMSX-OAHLLOKOSA-N 0 0 462.019 4.694 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CCc4cc(Cl)ccc43)c2)c1 ZINC001456869853 1066711227 /nfs/dbraw/zinc/71/12/27/1066711227.db2.gz ZQYYNVJCPQACEN-UHFFFAOYSA-N 0 0 452.894 4.518 20 0 JJADRN CO[C@]1(C)C[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(C)C ZINC001456871170 1066711304 /nfs/dbraw/zinc/71/13/04/1066711304.db2.gz IIVWUOVENWQDKJ-FDDCHVKYSA-N 0 0 458.484 4.887 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@H]1C)OC ZINC001545986981 1066711409 /nfs/dbraw/zinc/71/14/09/1066711409.db2.gz NENWJTWAQQSPBP-HLAWJBBLSA-N 0 0 469.630 4.899 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)CCc2ccc(C)o2)nnn1Cc1cccc(Br)c1 ZINC001456872304 1066711714 /nfs/dbraw/zinc/71/17/14/1066711714.db2.gz AMSGGYSUDATWBM-OAHLLOKOSA-N 0 0 459.388 4.694 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)s1 ZINC001492632753 1066711976 /nfs/dbraw/zinc/71/19/76/1066711976.db2.gz LVPFAXFYZICHIN-LZQZEXGQSA-N 0 0 474.675 4.854 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)C[C@@H](C)c3nccs3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633112 1066713060 /nfs/dbraw/zinc/71/30/60/1066713060.db2.gz UWGMSLAHMYPXES-QZMQVMSPSA-N 0 0 490.699 4.584 20 0 JJADRN C[C@H](CNC(=O)CCc1cc(Br)ccc1F)Oc1ccc(Br)cc1 ZINC001456880855 1066713256 /nfs/dbraw/zinc/71/32/56/1066713256.db2.gz RCATYSKCPZNNNN-GFCCVEGCSA-N 0 0 459.153 4.867 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nnc2C(C)(C)C)s1 ZINC001492633271 1066713478 /nfs/dbraw/zinc/71/34/78/1066713478.db2.gz XTCGGYZXHOLITO-QGZVFWFLSA-N 0 0 498.672 4.816 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)s1 ZINC001492633249 1066713508 /nfs/dbraw/zinc/71/35/08/1066713508.db2.gz XJOSUABYUKEGPI-MRXNPFEDSA-N 0 0 476.691 4.980 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516480 1066713660 /nfs/dbraw/zinc/71/36/60/1066713660.db2.gz SMNVOMPBBKETEZ-NAMDQGSHSA-N 0 0 472.674 4.532 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC001456885320 1066713804 /nfs/dbraw/zinc/71/38/04/1066713804.db2.gz RZRFBPIFCBGKSL-NRFANRHFSA-N 0 0 456.612 4.812 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)Cc3nc([C@H](C)OCC(C)C)no3)nnc2C(C)(C)C)s1 ZINC001492633338 1066713959 /nfs/dbraw/zinc/71/39/59/1066713959.db2.gz YRXVQIUGDSKGRN-RDJZCZTQSA-N 0 0 475.663 4.897 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001456885564 1066714289 /nfs/dbraw/zinc/71/42/89/1066714289.db2.gz LPHDDDYWQFDSOI-UHFFFAOYSA-N 0 0 458.262 4.671 20 0 JJADRN Cc1cc(C(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c(F)cc1F ZINC001456885873 1066714333 /nfs/dbraw/zinc/71/43/33/1066714333.db2.gz MBVMVXRNWQKJGC-CPJSRVTESA-N 0 0 458.505 4.906 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)c(-c3ccc(C)cc3)n2)cc1 ZINC001446521738 1066714558 /nfs/dbraw/zinc/71/45/58/1066714558.db2.gz AUYNHMJKFKFYSL-GGAORHGYSA-N 0 0 457.496 4.743 20 0 JJADRN CC[C@H](OC1CCCC1)C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC001456887909 1066714706 /nfs/dbraw/zinc/71/47/06/1066714706.db2.gz NSEXPUZJBAWZBI-WOVHNISZSA-N 0 0 458.599 4.744 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633672 1066714964 /nfs/dbraw/zinc/71/49/64/1066714964.db2.gz KTMKCUWOEBGVQW-INIZCTEOSA-N 0 0 485.658 4.678 20 0 JJADRN O=C(CSC[C@H]1CCCCO1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446526160 1066715273 /nfs/dbraw/zinc/71/52/73/1066715273.db2.gz FNPIIMJEUFIJSH-NOZRDPDXSA-N 0 0 459.055 4.876 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(Cc4cccnc4)n3CCCC(F)(F)F)CC2)s1 ZINC001492633704 1066715385 /nfs/dbraw/zinc/71/53/85/1066715385.db2.gz MAKZXHVPCRJQNA-UHFFFAOYSA-N 0 0 450.534 4.755 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC001456894107 1066715825 /nfs/dbraw/zinc/71/58/25/1066715825.db2.gz KRBVRFSUHWAUNE-IBGZPJMESA-N 0 0 459.521 4.813 20 0 JJADRN CCN(CC)C(=O)CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446529052 1066715904 /nfs/dbraw/zinc/71/59/04/1066715904.db2.gz NKVHNLLDJUNABE-SANMLTNESA-N 0 0 456.030 4.612 20 0 JJADRN Cc1coc(C)c1Cn1c(C(C)C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492634063 1066716033 /nfs/dbraw/zinc/71/60/33/1066716033.db2.gz ZUCSUXNTAQKOQJ-TZIWHRDSSA-N 0 0 457.619 4.789 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)COc1ccc(Br)cc1Cl ZINC001456895709 1066716456 /nfs/dbraw/zinc/71/64/56/1066716456.db2.gz NYZFXNSYZNNMOS-UHFFFAOYSA-N 0 0 453.764 4.585 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)Cc1ccccc1OC ZINC001446531545 1066716687 /nfs/dbraw/zinc/71/66/87/1066716687.db2.gz BXVKOLQMIUIALN-XYDKVEKUSA-N 0 0 453.535 4.724 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001492634321 1066716754 /nfs/dbraw/zinc/71/67/54/1066716754.db2.gz KCVUUKYYGCKNPI-INIZCTEOSA-N 0 0 472.952 4.839 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCc2csc(C)n2)CCO1 ZINC001546085523 1066717352 /nfs/dbraw/zinc/71/73/52/1066717352.db2.gz MZVBNTFKGTWPFC-IBGZPJMESA-N 0 0 482.473 4.782 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC(N)=O ZINC001492634675 1066717597 /nfs/dbraw/zinc/71/75/97/1066717597.db2.gz VJRCQSZTOQBVMG-WMZOPIPTSA-N 0 0 474.005 4.647 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001492634849 1066717735 /nfs/dbraw/zinc/71/77/35/1066717735.db2.gz BFZWZTAWVRBAHV-UHFFFAOYSA-N 0 0 455.647 4.790 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)Nc2nc3c(cccc3OCC(F)(F)F)s2)C1 ZINC001456906228 1066717898 /nfs/dbraw/zinc/71/78/98/1066717898.db2.gz XENSXUYSPATYQH-UHFFFAOYSA-N 0 0 459.490 4.869 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001492635211 1066718269 /nfs/dbraw/zinc/71/82/69/1066718269.db2.gz KLQZONVHNQQYNH-UHFFFAOYSA-N 0 0 467.589 4.616 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001456908520 1066718591 /nfs/dbraw/zinc/71/85/91/1066718591.db2.gz CWVKPQKZMRRKJQ-LLVKDONJSA-N 0 0 451.836 4.618 20 0 JJADRN O=C(NCc1nc(C2CC2)cs1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001446541776 1066718954 /nfs/dbraw/zinc/71/89/54/1066718954.db2.gz YTCZGKJGXOPFIE-UHFFFAOYSA-N 0 0 456.365 4.965 20 0 JJADRN CCSc1ccc(CC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001456910665 1066719113 /nfs/dbraw/zinc/71/91/13/1066719113.db2.gz CUYOMVCIAAFWQH-OAHLLOKOSA-N 0 0 457.434 4.571 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)s2)CCO1 ZINC001546085582 1066719123 /nfs/dbraw/zinc/71/91/23/1066719123.db2.gz NXIODRAJUAORJB-SFHVURJKSA-N 0 0 470.824 4.804 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001492635770 1066719432 /nfs/dbraw/zinc/71/94/32/1066719432.db2.gz AESIDMIZVXUVFF-KUHUBIRLSA-N 0 0 484.906 4.925 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(Oc2ccccc2Cl)cc1)Cc1ccccc1OC ZINC001446544366 1066719327 /nfs/dbraw/zinc/71/93/27/1066719327.db2.gz RSAKULUJFDBCBB-LJQANCHMSA-N 0 0 453.922 4.903 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001446550826 1066719459 /nfs/dbraw/zinc/71/94/59/1066719459.db2.gz FCUNRFTXHAWSGK-OFAXGOBFSA-N 0 0 458.599 4.781 20 0 JJADRN Cn1c(NC(=O)Cc2csc(-c3sccc3Br)n2)nc2cc(F)ccc21 ZINC001456910739 1066719484 /nfs/dbraw/zinc/71/94/84/1066719484.db2.gz IULYRRAJDXUIGV-UHFFFAOYSA-N 0 0 451.346 4.841 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc(C(F)(F)F)cs1 ZINC001456913084 1066720153 /nfs/dbraw/zinc/72/01/53/1066720153.db2.gz IHCNWRZESANQEL-MNOVXSKESA-N 0 0 457.465 4.622 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccccc1F ZINC001545987368 1066720444 /nfs/dbraw/zinc/72/04/44/1066720444.db2.gz SFDVAAHBCCZZEF-FXAWDEMLSA-N 0 0 459.591 4.652 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001446553581 1066720486 /nfs/dbraw/zinc/72/04/86/1066720486.db2.gz KXIZCDHWNDACHN-IMIIGWPFSA-N 0 0 450.623 4.804 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(Cc2cccc(F)c2)C(C)C)n1 ZINC001492636374 1066720516 /nfs/dbraw/zinc/72/05/16/1066720516.db2.gz BYNWFEDWJQCMID-QGZVFWFLSA-N 0 0 470.618 4.637 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccccc1F ZINC001545987369 1066720667 /nfs/dbraw/zinc/72/06/67/1066720667.db2.gz SFDVAAHBCCZZEF-PXNSSMCTSA-N 0 0 459.591 4.652 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001456915210 1066720660 /nfs/dbraw/zinc/72/06/60/1066720660.db2.gz ATQGDQOCLVFUPX-UHFFFAOYSA-N 0 0 457.571 4.885 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCOC[C@@H]2C)n1 ZINC001492636401 1066721158 /nfs/dbraw/zinc/72/11/58/1066721158.db2.gz CICFFRGNSUEITQ-ZBFHGGJFSA-N 0 0 476.444 4.810 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@@H]2C)n1 ZINC001492636420 1066721183 /nfs/dbraw/zinc/72/11/83/1066721183.db2.gz CMLBSBXTUGLLDE-GUTXKFCHSA-N 0 0 463.449 4.849 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)c2ccc(F)cc2F)[C@H]1c1ccccc1OC ZINC001456917516 1066721294 /nfs/dbraw/zinc/72/12/94/1066721294.db2.gz DQLHCOASFXGJTO-SBJAYZTMSA-N 0 0 458.549 4.973 20 0 JJADRN Cc1coc(C)c1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492636512 1066721633 /nfs/dbraw/zinc/72/16/33/1066721633.db2.gz SUWMLVZRXVSXPE-FQEVSTJZSA-N 0 0 457.619 4.620 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1csc(I)n1 ZINC001456919504 1066721824 /nfs/dbraw/zinc/72/18/24/1066721824.db2.gz YSNCCLDJBHRVNF-JTQLQIEISA-N 0 0 454.255 4.518 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)C1 ZINC001456919705 1066722288 /nfs/dbraw/zinc/72/22/88/1066722288.db2.gz JZJVZPNXKMIGRY-VQTJNVASSA-N 0 0 454.636 4.833 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)n1 ZINC001492637093 1066722716 /nfs/dbraw/zinc/72/27/16/1066722716.db2.gz KTSBAUQSHTYRMU-UKRRQHHQSA-N 0 0 451.518 4.971 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(F)(F)F)n1 ZINC001492637347 1066722967 /nfs/dbraw/zinc/72/29/67/1066722967.db2.gz PFOZGIYRAPACFO-AWEZNQCLSA-N 0 0 466.533 4.714 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1 ZINC001492637341 1066723009 /nfs/dbraw/zinc/72/30/09/1066723009.db2.gz PBTZGVIBOSLITH-MRXNPFEDSA-N 0 0 451.390 4.848 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCC(C)C)n1 ZINC001492637243 1066723134 /nfs/dbraw/zinc/72/31/34/1066723134.db2.gz NIYILXSKIFVHPV-INIZCTEOSA-N 0 0 475.062 4.912 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001456924480 1066723365 /nfs/dbraw/zinc/72/33/65/1066723365.db2.gz DCMWDOOXAUANBF-YCRPNKLZSA-N 0 0 457.361 4.661 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC001446580657 1066723510 /nfs/dbraw/zinc/72/35/10/1066723510.db2.gz SIZHNBQTJLHXJC-PUEQEAFISA-N 0 0 458.389 4.572 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001456924438 1066723402 /nfs/dbraw/zinc/72/34/02/1066723402.db2.gz DCMWDOOXAUANBF-BTYIYWSLSA-N 0 0 457.361 4.661 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)CCOc3ccc(Cl)cc3Br)C2)cc1 ZINC001456924299 1066723453 /nfs/dbraw/zinc/72/34/53/1066723453.db2.gz QEOVMKSUGXMWIM-QGZVFWFLSA-N 0 0 451.792 4.965 20 0 JJADRN COc1cc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)ccc1OCc1cscn1 ZINC001446586374 1066723831 /nfs/dbraw/zinc/72/38/31/1066723831.db2.gz WLNZYIZFRDAUOU-UHFFFAOYSA-N 0 0 453.564 4.718 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Cn2c3ccccc3nc2SC(F)F)c(C)c1 ZINC001446587024 1066724099 /nfs/dbraw/zinc/72/40/99/1066724099.db2.gz SNZYWHVQFPZFRC-LJQANCHMSA-N 0 0 455.534 4.722 20 0 JJADRN CS[C@H](C)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001446591449 1066724483 /nfs/dbraw/zinc/72/44/83/1066724483.db2.gz YVXRXQWJSVGPGO-GCJKJVERSA-N 0 0 458.624 4.569 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)n1nnnc1C(C)(C)C ZINC001446590570 1066724561 /nfs/dbraw/zinc/72/45/61/1066724561.db2.gz WXJRRHKGCZCEKT-ZDUSSCGKSA-N 0 0 451.918 4.559 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC001456936197 1066725593 /nfs/dbraw/zinc/72/55/93/1066725593.db2.gz WSPDFIBREHDFAN-DCFHFQCYSA-N 0 0 454.574 4.586 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)n1 ZINC001492638214 1066725601 /nfs/dbraw/zinc/72/56/01/1066725601.db2.gz CZCBTBWDIDXMNE-GFCCVEGCSA-N 0 0 490.456 4.764 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)CCO1 ZINC001546085678 1066725940 /nfs/dbraw/zinc/72/59/40/1066725940.db2.gz PVYQHNCNQVWFSC-LJQANCHMSA-N 0 0 457.438 4.590 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c(I)cc1Cl ZINC001456937108 1066725994 /nfs/dbraw/zinc/72/59/94/1066725994.db2.gz KDMJALUPQSTQTA-UGSOOPFHSA-N 0 0 455.723 4.855 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1ccc(C(F)(F)F)cc1 ZINC001456936816 1066726020 /nfs/dbraw/zinc/72/60/20/1066726020.db2.gz SYVUHWPHGMZSFU-OAHLLOKOSA-N 0 0 450.457 4.531 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CC(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC001446619221 1066726238 /nfs/dbraw/zinc/72/62/38/1066726238.db2.gz SWENMGUZQLXRRN-VWQFJMCTSA-N 0 0 456.608 4.614 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1OCC ZINC001456940500 1066726899 /nfs/dbraw/zinc/72/68/99/1066726899.db2.gz BCAMAXWZAMMGAO-MRXNPFEDSA-N 0 0 450.373 4.681 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1cc(F)ccc1I ZINC001456942716 1066726938 /nfs/dbraw/zinc/72/69/38/1066726938.db2.gz RDUKMZNJADGDOS-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)CC1CCCC1 ZINC001456941512 1066727029 /nfs/dbraw/zinc/72/70/29/1066727029.db2.gz YDMRCJNNJQZSCW-FQEVSTJZSA-N 0 0 451.592 4.759 20 0 JJADRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001456942126 1066727072 /nfs/dbraw/zinc/72/70/72/1066727072.db2.gz WHVXWKZFDYVLGU-HSZRJFAPSA-N 0 0 458.940 4.690 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(F)ccc2C1)NC(=O)OC(C)(C)C ZINC001545987871 1066727006 /nfs/dbraw/zinc/72/70/06/1066727006.db2.gz XTMOVCCCVIOOEI-NHCUHLMSSA-N 0 0 473.593 4.525 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)[C@@H](C)c3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492638652 1066727112 /nfs/dbraw/zinc/72/71/12/1066727112.db2.gz JFUGCCDNAIPWIE-WLENULPWSA-N 0 0 459.616 4.678 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OC)c3ccc4ccccc4c3)[nH]n2)c1C ZINC001446637236 1066727289 /nfs/dbraw/zinc/72/72/89/1066727289.db2.gz XHNYDCRIMJDZSH-IZHWHUGBSA-N 0 0 459.550 4.658 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001446638189 1066727537 /nfs/dbraw/zinc/72/75/37/1066727537.db2.gz YRMVSSRXFGASRD-KIAIAAEYSA-N 0 0 464.488 4.889 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(F)ccc2C1)NC(=O)OC(C)(C)C ZINC001545987873 1066727820 /nfs/dbraw/zinc/72/78/20/1066727820.db2.gz XTMOVCCCVIOOEI-SFTDATJTSA-N 0 0 473.593 4.525 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 ZINC001456950232 1066728221 /nfs/dbraw/zinc/72/82/21/1066728221.db2.gz BNZOJSXFVVYBDW-INIZCTEOSA-N 0 0 453.608 4.554 20 0 JJADRN COc1ccc(C2(CNC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)CCC2)cc1 ZINC001446646823 1066728827 /nfs/dbraw/zinc/72/88/27/1066728827.db2.gz WXLIVEJFMFRDGL-VWLOTQADSA-N 0 0 458.558 4.901 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC001456954510 1066729175 /nfs/dbraw/zinc/72/91/75/1066729175.db2.gz BFXGPGHTYLPIRA-NSHDSACASA-N 0 0 459.125 4.574 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)N1CCC(OCC2CC2)CC1 ZINC001456955173 1066729324 /nfs/dbraw/zinc/72/93/24/1066729324.db2.gz CVGDONDIKZFTAR-UHFFFAOYSA-N 0 0 455.380 4.812 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001492639685 1066729184 /nfs/dbraw/zinc/72/91/84/1066729184.db2.gz SEFITIYHGNEACZ-IQMFZBJNSA-N 0 0 474.700 4.844 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001446651487 1066729149 /nfs/dbraw/zinc/72/91/49/1066729149.db2.gz MFPRGUUZUSYIEL-QHCPKHFHSA-N 0 0 452.551 4.655 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCCS1 ZINC001446651756 1066729246 /nfs/dbraw/zinc/72/92/46/1066729246.db2.gz MIRQEPDQPKNACJ-RTBURBONSA-N 0 0 452.620 4.953 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492639747 1066729639 /nfs/dbraw/zinc/72/96/39/1066729639.db2.gz SPQBCLUBMGZDGC-NFKPGXHRSA-N 0 0 492.665 4.802 20 0 JJADRN COC(=O)CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)C1CCOCC1 ZINC001456957303 1066729691 /nfs/dbraw/zinc/72/96/91/1066729691.db2.gz FCGJRMVTEYEHTP-UHFFFAOYSA-N 0 0 452.334 4.970 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492639748 1066729718 /nfs/dbraw/zinc/72/97/18/1066729718.db2.gz SPQBCLUBMGZDGC-POKGRFFOSA-N 0 0 492.665 4.802 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492639879 1066729760 /nfs/dbraw/zinc/72/97/60/1066729760.db2.gz USKGZNBCTUIAOD-MRXNPFEDSA-N 0 0 461.607 4.816 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446659370 1066729798 /nfs/dbraw/zinc/72/97/98/1066729798.db2.gz LDIDSFFZPVWQHJ-WOJBJXKFSA-N 0 0 452.433 4.698 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 ZINC001446658704 1066729829 /nfs/dbraw/zinc/72/98/29/1066729829.db2.gz UMYAECHWRTWOHU-UHFFFAOYSA-N 0 0 458.493 4.821 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492640096 1066730151 /nfs/dbraw/zinc/73/01/51/1066730151.db2.gz WXMZAXRNSCVPBD-NVXWUHKLSA-N 0 0 462.019 4.694 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001492640220 1066730776 /nfs/dbraw/zinc/73/07/76/1066730776.db2.gz XKECSIFFSJAHJV-PXNSSMCTSA-N 0 0 454.644 4.616 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456963388 1066730743 /nfs/dbraw/zinc/73/07/43/1066730743.db2.gz GOFGXMIJRUYCSB-SGNDLWITSA-N 0 0 452.595 4.887 20 0 JJADRN O=C(N1CCC(OC[C@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001446665964 1066730885 /nfs/dbraw/zinc/73/08/85/1066730885.db2.gz YPXSAVUGILRLNX-SFHVURJKSA-N 0 0 450.417 4.695 20 0 JJADRN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc2cc(Br)ccc2s1 ZINC001446696629 1066731444 /nfs/dbraw/zinc/73/14/44/1066731444.db2.gz GBFZMAGJXGICQP-AWEZNQCLSA-N 0 0 455.171 4.890 20 0 JJADRN C[C@@H](C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(I)cc1 ZINC001456965688 1066731659 /nfs/dbraw/zinc/73/16/59/1066731659.db2.gz XGYYZBUTYCWFSJ-OLZOCXBDSA-N 0 0 453.324 4.703 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)Cc2ncnn2CC(F)F)n1 ZINC001492640575 1066732178 /nfs/dbraw/zinc/73/21/78/1066732178.db2.gz YVRRIUUXKAXPNR-CYBMUJFWSA-N 0 0 492.987 4.660 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)Cc2ncnn2CC(F)F)n1 ZINC001492640576 1066732217 /nfs/dbraw/zinc/73/22/17/1066732217.db2.gz YVRRIUUXKAXPNR-ZDUSSCGKSA-N 0 0 492.987 4.660 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 ZINC001446703524 1066732237 /nfs/dbraw/zinc/73/22/37/1066732237.db2.gz XBSNUQKLJLUANK-IAQYHMDHSA-N 0 0 459.490 4.771 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cc(F)c(F)cc2I)c1 ZINC001456969597 1066732380 /nfs/dbraw/zinc/73/23/80/1066732380.db2.gz GJQZVBKFPNNEFK-UHFFFAOYSA-N 0 0 459.230 4.777 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(F)c(F)cc1I ZINC001456967404 1066732400 /nfs/dbraw/zinc/73/24/00/1066732400.db2.gz AEZRPZVEQQGTDS-UHFFFAOYSA-N 0 0 451.214 4.587 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001446704209 1066732251 /nfs/dbraw/zinc/73/22/51/1066732251.db2.gz YHEMTYRFBIVSLE-JOCHJYFZSA-N 0 0 450.608 4.895 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1coc2cc(O)ccc12 ZINC001446705420 1066732466 /nfs/dbraw/zinc/73/24/66/1066732466.db2.gz CIJYEDVRUQFMEQ-UHFFFAOYSA-N 0 0 458.879 4.551 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccc(Cl)cc4)n3CCCOC(C)C)CCO2)n1 ZINC001492640888 1066732761 /nfs/dbraw/zinc/73/27/61/1066732761.db2.gz GNJFHDMLAIBCKA-HXUWFJFHSA-N 0 0 476.046 4.680 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3CCSCc3ccccc3)CCO2)n1 ZINC001492640803 1066732791 /nfs/dbraw/zinc/73/27/91/1066732791.db2.gz DOBFYZFWOKYLLS-IBGZPJMESA-N 0 0 457.669 4.852 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC001456973069 1066732837 /nfs/dbraw/zinc/73/28/37/1066732837.db2.gz CWCCRSZNYYTTMX-AVRDEDQJSA-N 0 0 458.624 4.938 20 0 JJADRN CC(C)(C)[C@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001446711361 1066733145 /nfs/dbraw/zinc/73/31/45/1066733145.db2.gz KAJKUWGEHXBLGY-INIZCTEOSA-N 0 0 459.384 4.975 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CCO2)n1 ZINC001492640905 1066733410 /nfs/dbraw/zinc/73/34/10/1066733410.db2.gz GWQBCMVRXLONGG-NTKDMRAZSA-N 0 0 490.073 4.771 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)C1(CCOCc2ccccc2)CC1 ZINC001456974257 1066733371 /nfs/dbraw/zinc/73/33/71/1066733371.db2.gz MQEWCRHMHHTSIR-UHFFFAOYSA-N 0 0 457.258 4.895 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc(F)c(F)cc1I ZINC001456973486 1066733516 /nfs/dbraw/zinc/73/35/16/1066733516.db2.gz KXTZGENQIJCIQM-UHFFFAOYSA-N 0 0 457.136 4.649 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)s1 ZINC001446712084 1066733435 /nfs/dbraw/zinc/73/34/35/1066733435.db2.gz OOTXQJSKEKYGGS-UHFFFAOYSA-N 0 0 450.969 4.706 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@H](C(C)(C)C)C3)cc2)cc1 ZINC001446713553 1066733685 /nfs/dbraw/zinc/73/36/85/1066733685.db2.gz NLOVEXOJDNGHMF-QFIPXVFZSA-N 0 0 456.652 4.971 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(C)C)nc3)C2)n1 ZINC001492641159 1066733787 /nfs/dbraw/zinc/73/37/87/1066733787.db2.gz CHHPUYUOQZCZSF-LJQANCHMSA-N 0 0 454.644 4.955 20 0 JJADRN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001456975812 1066733935 /nfs/dbraw/zinc/73/39/35/1066733935.db2.gz FMWWHTUIADLWRA-YESZJQIVSA-N 0 0 457.398 4.581 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)CSc3cccs3)cc1)C[C@@H](C)O2 ZINC001456976751 1066733963 /nfs/dbraw/zinc/73/39/63/1066733963.db2.gz OQFLKKQVMAPVJY-OAHLLOKOSA-N 0 0 454.573 4.915 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)C)CCO2)n1 ZINC001492641447 1066734304 /nfs/dbraw/zinc/73/43/04/1066734304.db2.gz LQSVZORZZMEZTI-SFHVURJKSA-N 0 0 465.982 4.505 20 0 JJADRN COC[C@@H](NC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F)c1ccc(F)cc1 ZINC001456979151 1066734343 /nfs/dbraw/zinc/73/43/43/1066734343.db2.gz NVALAJRCSNISCS-GOSISDBHSA-N 0 0 452.452 4.525 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC001456977461 1066734480 /nfs/dbraw/zinc/73/44/80/1066734480.db2.gz GTUNURRWOMDONJ-LJQANCHMSA-N 0 0 459.928 4.767 20 0 JJADRN Cc1ccc(Br)cc1C(=O)Nc1cc(F)c(F)cc1I ZINC001456977646 1066734518 /nfs/dbraw/zinc/73/45/18/1066734518.db2.gz RHXLEMGQXQPQDO-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(Cc4cccnc4)n3CCSCC(C)C)C2)n1 ZINC001492641473 1066734407 /nfs/dbraw/zinc/73/44/07/1066734407.db2.gz GJIVMFYDVGQIJD-HXUWFJFHSA-N 0 0 456.685 4.802 20 0 JJADRN COc1ccccc1[C@@H](CO)NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001446732594 1066734748 /nfs/dbraw/zinc/73/47/48/1066734748.db2.gz KZCAUGYLSPYSHM-HXUWFJFHSA-N 0 0 456.336 4.500 20 0 JJADRN CC(C)Cn1cc(C(=O)Nc2cc(F)c(F)cc2I)c(C(F)F)n1 ZINC001456979811 1066734851 /nfs/dbraw/zinc/73/48/51/1066734851.db2.gz WKPIJZUAZMCWKM-UHFFFAOYSA-N 0 0 455.193 4.612 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)n1 ZINC001492641564 1066734910 /nfs/dbraw/zinc/73/49/10/1066734910.db2.gz HIFJUIPXBIPNAV-KRWDZBQOSA-N 0 0 498.644 4.786 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCCSCc2ccnc(Cl)c2)cc1 ZINC001446743809 1066735250 /nfs/dbraw/zinc/73/52/50/1066735250.db2.gz AEYATOUCZVJBOJ-OAHLLOKOSA-N 0 0 450.004 4.984 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4cccnc4)n3CCCCOC(C)C)C2)n1 ZINC001492641973 1066735355 /nfs/dbraw/zinc/73/53/55/1066735355.db2.gz LGKWOBOHBHMYFL-NRFANRHFSA-N 0 0 454.644 4.618 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)N2CCO[C@H](CC)C2)ccc1Sc1ccccc1 ZINC001446754535 1066735709 /nfs/dbraw/zinc/73/57/09/1066735709.db2.gz GRKUIUWXUAEYEF-DENIHFKCSA-N 0 0 456.608 4.842 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCC(C)(C)O)CCO2)n1 ZINC001492642287 1066735787 /nfs/dbraw/zinc/73/57/87/1066735787.db2.gz UMFMNGITJKTOIA-TZIWHRDSSA-N 0 0 485.654 4.539 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCSCC(C)C)CCO1 ZINC001546085936 1066735872 /nfs/dbraw/zinc/73/58/72/1066735872.db2.gz VOBKPXLORHHHMG-HXUWFJFHSA-N 0 0 470.481 4.820 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(OCC(F)(F)F)cc3)CCO2)n1 ZINC001492642369 1066735978 /nfs/dbraw/zinc/73/59/78/1066735978.db2.gz VIRNSOFJYKFSBG-GOSISDBHSA-N 0 0 495.571 4.908 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NC[C@H]1CCC=CCCC1 ZINC001456988004 1066736525 /nfs/dbraw/zinc/73/65/25/1066736525.db2.gz ASBMAKDNSRZFHF-GHTZIAJQSA-N 0 0 458.603 4.608 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccccc3C(F)(F)F)C2)n1 ZINC001492642883 1066736805 /nfs/dbraw/zinc/73/68/05/1066736805.db2.gz UYPZZOFNFMZCRV-KRWDZBQOSA-N 0 0 492.571 4.632 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccco1)OC ZINC001545989063 1066737035 /nfs/dbraw/zinc/73/70/35/1066737035.db2.gz AGARRSIXRILPQX-IEBWSBKVSA-N 0 0 461.607 4.608 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccccc4C)n3CCOCC(F)(F)C(F)F)CCO2)n1 ZINC001492642772 1066736963 /nfs/dbraw/zinc/73/69/63/1066736963.db2.gz ZRLPCOCUDGDEPH-QGZVFWFLSA-N 0 0 499.534 4.513 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)[C@@H](F)C2)n1 ZINC001492643674 1066737341 /nfs/dbraw/zinc/73/73/41/1066737341.db2.gz ARSNOGMBMAPPRJ-DOMZBBRYSA-N 0 0 467.412 4.618 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC2CCOCC2)n1 ZINC001492643670 1066737404 /nfs/dbraw/zinc/73/74/04/1066737404.db2.gz ANJMJKJARLIPQS-UHFFFAOYSA-N 0 0 496.681 4.798 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N(C)CC(F)(F)F)n1 ZINC001492643622 1066737443 /nfs/dbraw/zinc/73/74/43/1066737443.db2.gz OLXVUOQEGLXYLA-UHFFFAOYSA-N 0 0 459.488 4.933 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccccc1F ZINC001545989334 1066737522 /nfs/dbraw/zinc/73/75/22/1066737522.db2.gz DTIYTMSLPSSPNQ-ROUUACIJSA-N 0 0 470.511 4.948 20 0 JJADRN CC[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)F)c1ccccc1 ZINC001545989139 1066737634 /nfs/dbraw/zinc/73/76/34/1066737634.db2.gz AZUQMTDDUBNUOL-LJQANCHMSA-N 0 0 469.584 4.737 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 ZINC001446781731 1066737904 /nfs/dbraw/zinc/73/79/04/1066737904.db2.gz IQOYWAGQBAJPRY-AHKZPQOWSA-N 0 0 458.558 4.581 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC4CC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC001492643068 1066738225 /nfs/dbraw/zinc/73/82/25/1066738225.db2.gz YKKGNYBXXTVCNZ-UXHICEINSA-N 0 0 488.702 4.929 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCNC(=O)Cc3cccc(F)c3)C2)n1 ZINC001492643079 1066738242 /nfs/dbraw/zinc/73/82/42/1066738242.db2.gz YOHJSFBAVTWXET-FQEVSTJZSA-N 0 0 498.672 4.514 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001446784713 1066738407 /nfs/dbraw/zinc/73/84/07/1066738407.db2.gz BHKACHSTBAWNEV-FPLPWBNLSA-N 0 0 451.405 4.848 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001456999023 1066739156 /nfs/dbraw/zinc/73/91/56/1066739156.db2.gz INLMOYZDQPCKPU-OZDVPOGGSA-N 0 0 454.489 4.991 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)n1 ZINC001492643381 1066739248 /nfs/dbraw/zinc/73/92/48/1066739248.db2.gz HGIMEHWFRWZBQS-OAQYLSRUSA-N 0 0 455.676 4.919 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492643428 1066739376 /nfs/dbraw/zinc/73/93/76/1066739376.db2.gz IRXYTTBONHDJTL-QGZVFWFLSA-N 0 0 498.644 4.791 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c1 ZINC001457006034 1066739581 /nfs/dbraw/zinc/73/95/81/1066739581.db2.gz HSFPOULTPBVTOV-NQIIRXRSSA-N 0 0 450.501 4.988 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCOc2cccc(I)c2)o1 ZINC001457004996 1066739596 /nfs/dbraw/zinc/73/95/96/1066739596.db2.gz DVOLGIYWLWBQFU-KSSFIOAISA-N 0 0 453.320 4.961 20 0 JJADRN COc1cc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c2ccccc2n1 ZINC001457004883 1066739648 /nfs/dbraw/zinc/73/96/48/1066739648.db2.gz FHTRMEINWCEUKR-UHFFFAOYSA-N 0 0 453.951 4.791 20 0 JJADRN Cc1csc(CCCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(F)c(Cl)c2)n1 ZINC001492643556 1066739763 /nfs/dbraw/zinc/73/97/63/1066739763.db2.gz MISAHSPEPPLQRI-UHFFFAOYSA-N 0 0 491.036 4.617 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC001492643611 1066739783 /nfs/dbraw/zinc/73/97/83/1066739783.db2.gz ODACRRJOLFDGDY-QZTJIDSGSA-N 0 0 487.592 4.508 20 0 JJADRN Cc1csc(CCCCn2c(N3C[C@H](C)CC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492643606 1066739840 /nfs/dbraw/zinc/73/98/40/1066739840.db2.gz NXPNCWNHQGUBRJ-KBMIEXCESA-N 0 0 475.703 4.979 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)cc2)C1 ZINC001446789840 1066740102 /nfs/dbraw/zinc/74/01/02/1066740102.db2.gz FZXOTNFFJXQUPM-PMACEKPBSA-N 0 0 458.599 4.656 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC001446789918 1066740162 /nfs/dbraw/zinc/74/01/62/1066740162.db2.gz GWUYEZLSONNTMJ-WOJBJXKFSA-N 0 0 458.599 4.799 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)o1 ZINC001457010779 1066741003 /nfs/dbraw/zinc/74/10/03/1066741003.db2.gz MODGGGCEVSCVDU-ABAIWWIYSA-N 0 0 458.349 4.507 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)o1 ZINC001457010789 1066741192 /nfs/dbraw/zinc/74/11/92/1066741192.db2.gz MODGGGCEVSCVDU-IAQYHMDHSA-N 0 0 458.349 4.507 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)c2ccccc2)n1 ZINC001492644047 1066741224 /nfs/dbraw/zinc/74/12/24/1066741224.db2.gz GJTOPHZDRZXSOV-IBGZPJMESA-N 0 0 466.655 4.542 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(F)cc3ccoc32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011239 1066741593 /nfs/dbraw/zinc/74/15/93/1066741593.db2.gz FAOPUFATDGLKAK-QFIPXVFZSA-N 0 0 453.491 4.503 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cccc(F)c2[C@H]1C)NC(=O)OC(C)(C)C ZINC001545989589 1066741666 /nfs/dbraw/zinc/74/16/66/1066741666.db2.gz IEKQADFLKVOOCP-MISYRCLQSA-N 0 0 487.620 4.738 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1C(F)(F)F ZINC001457011393 1066741706 /nfs/dbraw/zinc/74/17/06/1066741706.db2.gz PZYXLEOGOARVLV-HIFRSBDPSA-N 0 0 458.402 4.950 20 0 JJADRN Cc1csc(CCCCn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(Br)c2)n1 ZINC001492644181 1066741791 /nfs/dbraw/zinc/74/17/91/1066741791.db2.gz YPUQKLWWSGDDHM-SFHVURJKSA-N 0 0 490.471 4.969 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001457013106 1066742220 /nfs/dbraw/zinc/74/22/20/1066742220.db2.gz PLIOLBICGAQJRZ-HNNXBMFYSA-N 0 0 452.308 4.628 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)cc1 ZINC001457014544 1066742752 /nfs/dbraw/zinc/74/27/52/1066742752.db2.gz AXKXUYWPNABQNK-ZDUSSCGKSA-N 0 0 454.495 4.521 20 0 JJADRN COc1ccc([C@H](NC(=O)/C(C)=C\c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457014409 1066742902 /nfs/dbraw/zinc/74/29/02/1066742902.db2.gz JDFSYRCMSHGVTK-AUFNVCJYSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492644715 1066743219 /nfs/dbraw/zinc/74/32/19/1066743219.db2.gz XLWRFPZEGHYHLA-HXUWFJFHSA-N 0 0 484.695 4.877 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@H]2CCOC2)n1 ZINC001492644631 1066743243 /nfs/dbraw/zinc/74/32/43/1066743243.db2.gz UUZIIXHTLZEVSO-INIZCTEOSA-N 0 0 494.434 4.860 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cn(C)nc1-c1ccncc1 ZINC001446811268 1066743359 /nfs/dbraw/zinc/74/33/59/1066743359.db2.gz OEIWTWRIBZXXNH-HXUWFJFHSA-N 0 0 457.500 4.632 20 0 JJADRN COc1cc(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)ccc1OC(C)C ZINC001446810539 1066743379 /nfs/dbraw/zinc/74/33/79/1066743379.db2.gz YNNYBXPRFISLNI-HXUWFJFHSA-N 0 0 457.445 4.542 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001492644630 1066743326 /nfs/dbraw/zinc/74/33/26/1066743326.db2.gz UUOFTXJAPDNIGF-MRXNPFEDSA-N 0 0 493.475 4.686 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001446809522 1066743444 /nfs/dbraw/zinc/74/34/44/1066743444.db2.gz KACOWKQUKJZPIC-SFHVURJKSA-N 0 0 450.505 4.764 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001446808955 1066743490 /nfs/dbraw/zinc/74/34/90/1066743490.db2.gz VECLRFZOTCWASY-UHFFFAOYSA-N 0 0 452.511 4.557 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492644742 1066743870 /nfs/dbraw/zinc/74/38/70/1066743870.db2.gz YGXPNACOZHJCFB-ATIYNZHBSA-N 0 0 483.682 4.593 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1Br ZINC001457016366 1066743890 /nfs/dbraw/zinc/74/38/90/1066743890.db2.gz GSNAGZJUCNKZKO-UHFFFAOYSA-N 0 0 454.324 4.676 20 0 JJADRN O=C(NCCC1CCC(F)(F)CC1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001457016229 1066743995 /nfs/dbraw/zinc/74/39/95/1066743995.db2.gz NBFXXXLCWBTRTR-UHFFFAOYSA-N 0 0 458.477 4.711 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(C)C)c1 ZINC001492644904 1066744285 /nfs/dbraw/zinc/74/42/85/1066744285.db2.gz DXULALDAPMUQRT-UHFFFAOYSA-N 0 0 455.628 4.506 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC001457018123 1066744364 /nfs/dbraw/zinc/74/43/64/1066744364.db2.gz ZQCGYEWBJSRENT-QHCPKHFHSA-N 0 0 450.604 4.913 20 0 JJADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001457018467 1066744497 /nfs/dbraw/zinc/74/44/97/1066744497.db2.gz LYQMQUISGQRAPH-LAUBAEHRSA-N 0 0 455.555 4.568 20 0 JJADRN Cc1csc(CCCCn2c(N3CCS[C@@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492645119 1066744853 /nfs/dbraw/zinc/74/48/53/1066744853.db2.gz LHOTULVSVOJCIF-HYBUGGRVSA-N 0 0 493.743 4.684 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001457019346 1066744858 /nfs/dbraw/zinc/74/48/58/1066744858.db2.gz NFIZLQXBBONBGT-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001492645146 1066745383 /nfs/dbraw/zinc/74/53/83/1066745383.db2.gz MGUIQDDFSFIFQN-QGZVFWFLSA-N 0 0 494.658 4.777 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(Br)c3nccn3c2)cc1 ZINC001457021151 1066745443 /nfs/dbraw/zinc/74/54/43/1066745443.db2.gz RAXRBDOOBBWTTM-ZDUSSCGKSA-N 0 0 459.344 4.935 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC001446826317 1066745760 /nfs/dbraw/zinc/74/57/60/1066745760.db2.gz CUBMCGVPZVFTRY-UHFFFAOYSA-N 0 0 451.527 4.740 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(C(=O)N(C)C)cc3OC)s2)cc1 ZINC001457023097 1066746030 /nfs/dbraw/zinc/74/60/30/1066746030.db2.gz QRVYMSCYPFAYRN-UHFFFAOYSA-N 0 0 453.564 4.734 20 0 JJADRN CCOCCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446832106 1066746071 /nfs/dbraw/zinc/74/60/71/1066746071.db2.gz RWNWPCHPVWLAIK-SANMLTNESA-N 0 0 458.558 4.761 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)OC ZINC001545989963 1066746173 /nfs/dbraw/zinc/74/61/73/1066746173.db2.gz MZWAVTIQMGBOCX-ZIFCJYIRSA-N 0 0 485.620 4.545 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)n[nH]1 ZINC001446828638 1066746196 /nfs/dbraw/zinc/74/61/96/1066746196.db2.gz MHRPLQFTAPPGNV-UHFFFAOYSA-N 0 0 451.527 4.740 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCS(C)(=O)=O)c1 ZINC001492645631 1066746462 /nfs/dbraw/zinc/74/64/62/1066746462.db2.gz CXKPEOYENQEBFY-UHFFFAOYSA-N 0 0 473.451 4.693 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)NCCNc1cccc(Br)c1 ZINC001446838314 1066746728 /nfs/dbraw/zinc/74/67/28/1066746728.db2.gz RLGCMRKHIUJRRV-UHFFFAOYSA-N 0 0 458.219 4.922 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2c(O)cnc3c(Br)cccc32)c1 ZINC001446838123 1066746914 /nfs/dbraw/zinc/74/69/14/1066746914.db2.gz RAXQGPZNPHOQCC-UHFFFAOYSA-N 0 0 457.324 4.588 20 0 JJADRN CCc1ccc(-n2nc(C(=O)NCCNc3cccc(Br)c3)c3c2CCC3)cc1 ZINC001446838265 1066746943 /nfs/dbraw/zinc/74/69/43/1066746943.db2.gz RCCPQHLLJIUTBS-UHFFFAOYSA-N 0 0 453.384 4.528 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccccc2Cl)ccc1F ZINC001457024829 1066746929 /nfs/dbraw/zinc/74/69/29/1066746929.db2.gz FWSZOBIDGNPJPZ-OAQYLSRUSA-N 0 0 457.933 4.996 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 ZINC001457024955 1066747002 /nfs/dbraw/zinc/74/70/02/1066747002.db2.gz BCYMLXRQYDRWES-INIZCTEOSA-N 0 0 458.522 4.510 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)C(C)(C)C)c1 ZINC001492645760 1066747015 /nfs/dbraw/zinc/74/70/15/1066747015.db2.gz IDRVREVJAKVHRK-LJAQVGFWSA-N 0 0 498.516 4.600 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc3cnccc32)c2ccc(Cl)cc2)c1 ZINC001457025506 1066747027 /nfs/dbraw/zinc/74/70/27/1066747027.db2.gz HPESVCYNCARCHO-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001492645688 1066747148 /nfs/dbraw/zinc/74/71/48/1066747148.db2.gz FLJMZTYYVZGEKH-UHFFFAOYSA-N 0 0 498.621 4.766 20 0 JJADRN Cc1cc(Br)c(O)c(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC001446844278 1066747335 /nfs/dbraw/zinc/74/73/35/1066747335.db2.gz ZDAVBVHMEYTIRO-UHFFFAOYSA-N 0 0 451.276 4.516 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)c1 ZINC001492645848 1066747548 /nfs/dbraw/zinc/74/75/48/1066747548.db2.gz LGQONHDKCMVDHN-OAHLLOKOSA-N 0 0 453.395 4.674 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)c2cc(Br)c(F)cc2N)cc1Cl ZINC001446846879 1066747709 /nfs/dbraw/zinc/74/77/09/1066747709.db2.gz OSOOKDJBMFSYHH-UHFFFAOYSA-N 0 0 452.107 4.755 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)CSCc2cn3cc(C)ccc3n2)cc1Cl ZINC001446847042 1066747800 /nfs/dbraw/zinc/74/78/00/1066747800.db2.gz QGKRHZYIWDWWAP-UHFFFAOYSA-N 0 0 454.379 4.847 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001492645921 1066748006 /nfs/dbraw/zinc/74/80/06/1066748006.db2.gz NXPLRMNQCDPFRT-UHFFFAOYSA-N 0 0 456.019 5.000 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645973 1066748107 /nfs/dbraw/zinc/74/81/07/1066748107.db2.gz QDTZTZUSTCEBAJ-REPLKXPHSA-N 0 0 488.679 4.559 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC001446848491 1066748407 /nfs/dbraw/zinc/74/84/07/1066748407.db2.gz NUFVFROBWXYQIV-HXUWFJFHSA-N 0 0 452.555 4.568 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC001457030473 1066748461 /nfs/dbraw/zinc/74/84/61/1066748461.db2.gz SSXFGDQNCTVDIM-HNJZPNCXSA-N 0 0 455.023 4.881 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 ZINC001492646093 1066748482 /nfs/dbraw/zinc/74/84/82/1066748482.db2.gz VIAUOZCQAWXJGE-FQEVSTJZSA-N 0 0 496.027 4.961 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)n2)c1 ZINC001492646084 1066748545 /nfs/dbraw/zinc/74/85/45/1066748545.db2.gz VAWQTQJNNSARCV-UHFFFAOYSA-N 0 0 495.674 4.691 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)c1 ZINC001492646026 1066748625 /nfs/dbraw/zinc/74/86/25/1066748625.db2.gz RYEYNLCNBBBHNF-HXUWFJFHSA-N 0 0 467.639 4.655 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCO[C@H]2CCOC2)c1 ZINC001492646156 1066748893 /nfs/dbraw/zinc/74/88/93/1066748893.db2.gz XXBDZTXEGRMYGF-IBGZPJMESA-N 0 0 491.455 4.910 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2F)c1 ZINC001492646137 1066748921 /nfs/dbraw/zinc/74/89/21/1066748921.db2.gz WTZPPXUDEYWWAA-XMMPIXPASA-N 0 0 494.583 4.985 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)c1 ZINC001492646167 1066748944 /nfs/dbraw/zinc/74/89/44/1066748944.db2.gz YFBKJCAMJALUGA-UHFFFAOYSA-N 0 0 458.538 4.529 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC001457032116 1066749092 /nfs/dbraw/zinc/74/90/92/1066749092.db2.gz XSBMAPKSXNSUIB-UHFFFAOYSA-N 0 0 452.967 4.996 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001446864356 1066749457 /nfs/dbraw/zinc/74/94/57/1066749457.db2.gz ADDWITKDNSJJEJ-YJYMSZOUSA-N 0 0 455.356 4.618 20 0 JJADRN O=C(NC[C@H]1SCCc2ccccc21)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001457033921 1066749543 /nfs/dbraw/zinc/74/95/43/1066749543.db2.gz YSKDPLKXMGAQTE-RTWAWAEBSA-N 0 0 451.419 4.514 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001446864341 1066749595 /nfs/dbraw/zinc/74/95/95/1066749595.db2.gz ADDWITKDNSJJEJ-BFUOFWGJSA-N 0 0 455.356 4.618 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001492646527 1066749896 /nfs/dbraw/zinc/74/98/96/1066749896.db2.gz KURBGONUEOMFOX-MOPGFXCFSA-N 0 0 475.659 4.578 20 0 JJADRN Cc1ccc(C2=CCN(C(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)CC2)cn1 ZINC001446868288 1066750010 /nfs/dbraw/zinc/75/00/10/1066750010.db2.gz MTEFDQYOZIJYRK-UHFFFAOYSA-N 0 0 457.496 4.577 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001492646528 1066749932 /nfs/dbraw/zinc/74/99/32/1066749932.db2.gz KURBGONUEOMFOX-OALUTQOASA-N 0 0 475.659 4.578 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001492646560 1066749976 /nfs/dbraw/zinc/74/99/76/1066749976.db2.gz LVXJPKWQCPCNKP-QGZVFWFLSA-N 0 0 456.616 4.507 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)Nc3cc(Cl)cc4c[nH]nc43)C2)C1 ZINC001457040037 1066750423 /nfs/dbraw/zinc/75/04/23/1066750423.db2.gz PUZAQTCEDLZMAN-FDTVQSNTSA-N 0 0 450.992 4.724 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnccn3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001492646781 1066750495 /nfs/dbraw/zinc/75/04/95/1066750495.db2.gz RJNSPZGWUUNJHV-UHFFFAOYSA-N 0 0 488.543 4.657 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCc1cccc(Cl)c1F ZINC001457041458 1066750686 /nfs/dbraw/zinc/75/06/86/1066750686.db2.gz XLJBLYWVUFLEBP-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001446873612 1066751001 /nfs/dbraw/zinc/75/10/01/1066751001.db2.gz OTWJXQZFPKVLII-XQBPLPMBSA-N 0 0 456.583 4.534 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(CC)CC ZINC001457047090 1066751042 /nfs/dbraw/zinc/75/10/42/1066751042.db2.gz BAABPNPIZSOLDO-STQMWFEESA-N 0 0 453.723 4.797 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1(CC)CC ZINC001457047934 1066751119 /nfs/dbraw/zinc/75/11/19/1066751119.db2.gz CSPMWPWLZQBWAT-WOJBJXKFSA-N 0 0 454.533 4.658 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(CC)CC ZINC001457047082 1066751167 /nfs/dbraw/zinc/75/11/67/1066751167.db2.gz BAABPNPIZSOLDO-OLZOCXBDSA-N 0 0 453.723 4.797 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001492647517 1066751534 /nfs/dbraw/zinc/75/15/34/1066751534.db2.gz NUEYUFMQIWABGT-UHFFFAOYSA-N 0 0 490.699 4.945 20 0 JJADRN Cn1nc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1NC(=O)OC(C)(C)C ZINC001446877355 1066751749 /nfs/dbraw/zinc/75/17/49/1066751749.db2.gz CAHHUZRRAWJMRB-UHFFFAOYSA-N 0 0 459.399 4.737 20 0 JJADRN COc1ccc(CN(C(=O)c2c(C)[nH]nc2Br)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001446877921 1066751798 /nfs/dbraw/zinc/75/17/98/1066751798.db2.gz IACQQHBJDFDQLG-CZUORRHYSA-N 0 0 450.377 4.719 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)c1 ZINC001492647587 1066752028 /nfs/dbraw/zinc/75/20/28/1066752028.db2.gz QEBLRTBRMZRHNJ-KRWDZBQOSA-N 0 0 485.601 4.638 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457057059 1066752166 /nfs/dbraw/zinc/75/21/66/1066752166.db2.gz AUBSJRGDNGNIGS-UHFFFAOYSA-N 0 0 457.596 4.908 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001492647799 1066752428 /nfs/dbraw/zinc/75/24/28/1066752428.db2.gz WZXJTYQBSZCIQF-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001446878706 1066752409 /nfs/dbraw/zinc/75/24/09/1066752409.db2.gz KXRCBKVOJJCKDY-MRXNPFEDSA-N 0 0 458.345 4.687 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001446880637 1066752449 /nfs/dbraw/zinc/75/24/49/1066752449.db2.gz OENXIHYSQRJPDT-INIZCTEOSA-N 0 0 456.505 4.722 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457059839 1066752731 /nfs/dbraw/zinc/75/27/31/1066752731.db2.gz HEYUCHBBOGOEQK-QQFBHYJXSA-N 0 0 459.509 4.628 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)Nc2cccc(Cl)c2)nn1-c1ccc(Cl)cc1Cl ZINC001446882641 1066753217 /nfs/dbraw/zinc/75/32/17/1066753217.db2.gz VJKJFTZTXAUZDM-UHFFFAOYSA-N 0 0 452.729 4.901 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001446884530 1066753351 /nfs/dbraw/zinc/75/33/51/1066753351.db2.gz VRFPUEXOUHDSLC-JLZZUVOBSA-N 0 0 451.354 4.824 20 0 JJADRN CCCc1c(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC001457067084 1066754189 /nfs/dbraw/zinc/75/41/89/1066754189.db2.gz TZVLJKDQPWPCKY-UHFFFAOYSA-N 0 0 458.578 4.872 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)CC3 ZINC001446900180 1066754317 /nfs/dbraw/zinc/75/43/17/1066754317.db2.gz LVOVPNOXXWPESP-CYFREDJKSA-N 0 0 451.998 4.948 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc(I)c(C)cc1C)CC3 ZINC001446906472 1066755230 /nfs/dbraw/zinc/75/52/30/1066755230.db2.gz VYXBJUYJQIDWNM-HNNXBMFYSA-N 0 0 458.343 4.985 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCCc2ccccn2)n1 ZINC001492648926 1066755535 /nfs/dbraw/zinc/75/55/35/1066755535.db2.gz MMLXPXGGXWVKTG-GOSISDBHSA-N 0 0 466.586 4.834 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC001492648894 1066755546 /nfs/dbraw/zinc/75/55/46/1066755546.db2.gz LFJZREGNZKRDGI-UHFFFAOYSA-N 0 0 489.045 4.905 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CCc2nccs2)n1 ZINC001492648850 1066755560 /nfs/dbraw/zinc/75/55/60/1066755560.db2.gz KEIHFFUZPKVCDS-OAHLLOKOSA-N 0 0 458.588 4.506 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492648807 1066755566 /nfs/dbraw/zinc/75/55/66/1066755566.db2.gz ITEBIKHJGRNCDX-CYBMUJFWSA-N 0 0 468.421 4.602 20 0 JJADRN CCO[C@H](C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001457073990 1066755643 /nfs/dbraw/zinc/75/56/43/1066755643.db2.gz LICTYHQOZCLVPD-RPBOFIJWSA-N 0 0 451.588 4.636 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001492649024 1066755911 /nfs/dbraw/zinc/75/59/11/1066755911.db2.gz PABIWVLRGNQMRR-UHFFFAOYSA-N 0 0 489.365 4.638 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492649259 1066755968 /nfs/dbraw/zinc/75/59/68/1066755968.db2.gz WDOVCNJZWVUWRQ-QGZVFWFLSA-N 0 0 480.407 4.521 20 0 JJADRN C[C@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908302 1066755922 /nfs/dbraw/zinc/75/59/22/1066755922.db2.gz IZJLRHFYHMDJTD-AWEZNQCLSA-N 0 0 452.967 4.942 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545990607 1066755947 /nfs/dbraw/zinc/75/59/47/1066755947.db2.gz VKYNMLKIIKLHIL-QZNHQXDQSA-N 0 0 483.657 4.717 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(Br)c1 ZINC001457076017 1066756266 /nfs/dbraw/zinc/75/62/66/1066756266.db2.gz OQLZARKIOLDMJO-NRFANRHFSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)OC(C)(C)C2)n1 ZINC001492649401 1066756350 /nfs/dbraw/zinc/75/63/50/1066756350.db2.gz ARTXEKIPHJOZID-CQSZACIVSA-N 0 0 462.417 4.525 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2C1 ZINC001446912500 1066756411 /nfs/dbraw/zinc/75/64/11/1066756411.db2.gz SJCMTQLSFOUXTH-CQSZACIVSA-N 0 0 458.921 4.990 20 0 JJADRN CCC[C@@](C)(CO)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446912128 1066756490 /nfs/dbraw/zinc/75/64/90/1066756490.db2.gz HPORJUDSGUCMRJ-IGKIAQTJSA-N 0 0 452.595 4.607 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC001446912111 1066756496 /nfs/dbraw/zinc/75/64/96/1066756496.db2.gz HNDPOBQBNZTVQA-BBRMVZONSA-N 0 0 456.008 4.771 20 0 JJADRN CCc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457078044 1066756619 /nfs/dbraw/zinc/75/66/19/1066756619.db2.gz SGSDVXMWPXVPBU-BFLUCZKCSA-N 0 0 463.599 4.670 20 0 JJADRN C[C@H](N1CCN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1)C(F)(F)F ZINC001457081717 1066757288 /nfs/dbraw/zinc/75/72/88/1066757288.db2.gz WMXNMALXZCVWQR-UKEODDKASA-N 0 0 454.439 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446928460 1066757461 /nfs/dbraw/zinc/75/74/61/1066757461.db2.gz LJQSGKVIAORGQN-PLACYPQZSA-N 0 0 465.034 4.546 20 0 JJADRN O=C(Nc1cc(C(=O)NCc2cc(OCC(F)F)ccn2)ccc1Cl)c1cccs1 ZINC001446929212 1066757603 /nfs/dbraw/zinc/75/76/03/1066757603.db2.gz XYATZAQITHGDOX-UHFFFAOYSA-N 0 0 451.882 4.623 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457081799 1066757800 /nfs/dbraw/zinc/75/78/00/1066757800.db2.gz XDDGEZCKKCWDFS-HXOBKFHXSA-N 0 0 457.979 4.725 20 0 JJADRN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1nn(-c2ccccc2F)cc1Br ZINC001446952323 1066758221 /nfs/dbraw/zinc/75/82/21/1066758221.db2.gz UWGYOSKYZFZTLS-MRXNPFEDSA-N 0 0 458.209 4.622 20 0 JJADRN C[C@](NC(=O)c1cc(I)cc(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC001457088447 1066758582 /nfs/dbraw/zinc/75/85/82/1066758582.db2.gz LIJYBIAHSDXFIM-LBPRGKRZSA-N 0 0 451.148 4.771 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492651365 1066758751 /nfs/dbraw/zinc/75/87/51/1066758751.db2.gz NWYPFMLRWAPQPP-UHFFFAOYSA-N 0 0 494.459 4.684 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@H](C)O1 ZINC001457089001 1066759153 /nfs/dbraw/zinc/75/91/53/1066759153.db2.gz FILDTZTZRYOYPZ-ROUUACIJSA-N 0 0 459.428 4.809 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCN(C)[C@H](C)[C@@H]3C)cc12 ZINC001446963412 1066759254 /nfs/dbraw/zinc/75/92/54/1066759254.db2.gz FDEUFMZJPWXRBY-KGLIPLIRSA-N 0 0 451.423 4.926 20 0 JJADRN Cc1csc(Cn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)cc2Cl)n1 ZINC001492651725 1066759263 /nfs/dbraw/zinc/75/92/63/1066759263.db2.gz ANBJFCUPBFGBPW-UHFFFAOYSA-N 0 0 464.780 4.651 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001446964880 1066759361 /nfs/dbraw/zinc/75/93/61/1066759361.db2.gz PEEQWVVKBRSRGD-RXVVDRJESA-N 0 0 459.384 4.633 20 0 JJADRN Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001446967976 1066759852 /nfs/dbraw/zinc/75/98/52/1066759852.db2.gz UBHKTIMMXABBOA-VWLOTQADSA-N 0 0 459.546 4.583 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC001446968216 1066759859 /nfs/dbraw/zinc/75/98/59/1066759859.db2.gz XLAHKBMIWGAKTO-UHFFFAOYSA-N 0 0 457.372 4.754 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC[C@H](C)C2)n1 ZINC001492652102 1066759878 /nfs/dbraw/zinc/75/98/78/1066759878.db2.gz OEUYJRWOQBSCRW-WMZOPIPTSA-N 0 0 460.648 4.790 20 0 JJADRN Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC001446971094 1066760367 /nfs/dbraw/zinc/76/03/67/1066760367.db2.gz ZVHZSYXKVYSGPU-UHFFFAOYSA-N 0 0 451.592 4.794 20 0 JJADRN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001446970199 1066760398 /nfs/dbraw/zinc/76/03/98/1066760398.db2.gz WWFNPBVIHSTUEP-AWEZNQCLSA-N 0 0 450.551 4.804 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC001446973326 1066760432 /nfs/dbraw/zinc/76/04/32/1066760432.db2.gz JXZBSFFQOJKQJV-ZHRRBRCNSA-N 0 0 452.551 4.988 20 0 JJADRN O=C(N[C@@H]1CC12CCCCC2)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001446978386 1066760740 /nfs/dbraw/zinc/76/07/40/1066760740.db2.gz FAAZJZASJHRFIB-LJQANCHMSA-N 0 0 452.498 4.959 20 0 JJADRN Cc1cscc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001492652785 1066760724 /nfs/dbraw/zinc/76/07/24/1066760724.db2.gz MEMSOSYPAWMRJT-UHFFFAOYSA-N 0 0 497.422 4.743 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001492652861 1066760841 /nfs/dbraw/zinc/76/08/41/1066760841.db2.gz OVRJOQSNSYRUHZ-KRWDZBQOSA-N 0 0 472.684 4.798 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F ZINC001492653339 1066761428 /nfs/dbraw/zinc/76/14/28/1066761428.db2.gz FCQZRNJXDABGHC-MRXNPFEDSA-N 0 0 469.602 4.902 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(Br)c1 ZINC001457097774 1066761413 /nfs/dbraw/zinc/76/14/13/1066761413.db2.gz GBMWHYHSEIMQTQ-AREMUKBSSA-N 0 0 453.339 4.653 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1 ZINC001457099468 1066761857 /nfs/dbraw/zinc/76/18/57/1066761857.db2.gz JDTOHGNEHANKQZ-LXHOOYJUSA-N 0 0 459.406 4.516 20 0 JJADRN Cc1cscc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492653659 1066761901 /nfs/dbraw/zinc/76/19/01/1066761901.db2.gz LEXMLNCGXBLLFV-UHFFFAOYSA-N 0 0 484.494 4.913 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccccn2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492653556 1066761940 /nfs/dbraw/zinc/76/19/40/1066761940.db2.gz JISBNCOGWPQRTM-UHFFFAOYSA-N 0 0 496.681 4.765 20 0 JJADRN Cc1cscc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001492653678 1066761968 /nfs/dbraw/zinc/76/19/68/1066761968.db2.gz DCZSXXBBDLMNBF-UHFFFAOYSA-N 0 0 489.592 4.659 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 ZINC001546087292 1066762455 /nfs/dbraw/zinc/76/24/55/1066762455.db2.gz JSGBYBIPDYGPAQ-NRFANRHFSA-N 0 0 469.870 4.604 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C2=O ZINC001446987323 1066762391 /nfs/dbraw/zinc/76/23/91/1066762391.db2.gz LSBASYNVZUSUGD-YWMUFLPLSA-N 0 0 458.480 4.793 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC001446987405 1066762429 /nfs/dbraw/zinc/76/24/29/1066762429.db2.gz XCPLYQVWQXKHBS-MORSLUCNSA-N 0 0 450.967 4.567 20 0 JJADRN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989579 1066762617 /nfs/dbraw/zinc/76/26/17/1066762617.db2.gz VDZIVBFJCBGINY-ZJSXRUAMSA-N 0 0 458.624 4.818 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492654003 1066762887 /nfs/dbraw/zinc/76/28/87/1066762887.db2.gz KCROZDFWCUPIDR-HXUWFJFHSA-N 0 0 453.612 4.857 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)CSc1nncn1-c1ccc(C(C)C)cc1)C2 ZINC001545991326 1066763014 /nfs/dbraw/zinc/76/30/14/1066763014.db2.gz LXHTXPPGTPSQIZ-UHFFFAOYSA-N 0 0 450.608 4.857 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001492654081 1066763367 /nfs/dbraw/zinc/76/33/67/1066763367.db2.gz LWPGWKQEIUJGCD-KRWDZBQOSA-N 0 0 458.031 4.710 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ncc(Br)cn2)c2cc(F)ccc2F)c1 ZINC001457104342 1066763469 /nfs/dbraw/zinc/76/34/69/1066763469.db2.gz HGFLSOXNARUQKR-QGZVFWFLSA-N 0 0 450.308 4.759 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001492654544 1066763871 /nfs/dbraw/zinc/76/38/71/1066763871.db2.gz XYKFBZVVZBGQGY-SCTDSRPQSA-N 0 0 459.660 4.903 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC1CCOCC1 ZINC001492654363 1066763920 /nfs/dbraw/zinc/76/39/20/1066763920.db2.gz SQGAOALQSJGOIO-UHFFFAOYSA-N 0 0 464.433 4.707 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001457111055 1066764462 /nfs/dbraw/zinc/76/44/62/1066764462.db2.gz LKLKGYPLDZQVAG-QFIPXVFZSA-N 0 0 450.966 4.861 20 0 JJADRN C[C@@H]1CN(C(=O)CCSc2ccc(Br)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446998054 1066764460 /nfs/dbraw/zinc/76/44/60/1066764460.db2.gz WXYDAMDFYVDLHL-LSDHHAIUSA-N 0 0 457.434 4.788 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001457112514 1066764813 /nfs/dbraw/zinc/76/48/13/1066764813.db2.gz IFFIEXBYGVDWRS-GDLZYMKVSA-N 0 0 450.391 4.556 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)ccc1S(N)(=O)=O ZINC001447006198 1066764949 /nfs/dbraw/zinc/76/49/49/1066764949.db2.gz DPUZXSCXJFKYAZ-HKUYNNGSSA-N 0 0 454.514 4.508 20 0 JJADRN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001447010620 1066765013 /nfs/dbraw/zinc/76/50/13/1066765013.db2.gz JANRRXAUJPCTEY-SRABZTEZSA-N 0 0 450.423 4.695 20 0 JJADRN O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001447010646 1066765062 /nfs/dbraw/zinc/76/50/62/1066765062.db2.gz JANRRXAUJPCTEY-YALNPMBYSA-N 0 0 450.423 4.695 20 0 JJADRN CC(C)[C@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H](C)NC(=O)OC(C)(C)C ZINC001457113597 1066765240 /nfs/dbraw/zinc/76/52/40/1066765240.db2.gz NSUFRJPJXHASPR-GUYCJALGSA-N 0 0 453.008 4.906 20 0 JJADRN CC[C@@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001457113895 1066765270 /nfs/dbraw/zinc/76/52/70/1066765270.db2.gz PLKHYXDYMFEJLC-OAQYLSRUSA-N 0 0 450.992 4.758 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC001457113837 1066765303 /nfs/dbraw/zinc/76/53/03/1066765303.db2.gz PAADXWPUAWAOTC-FQEVSTJZSA-N 0 0 452.555 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC001457113936 1066765432 /nfs/dbraw/zinc/76/54/32/1066765432.db2.gz PYTZESGZQUBZLR-HOTGVXAUSA-N 0 0 450.992 4.804 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc1 ZINC001457115171 1066765469 /nfs/dbraw/zinc/76/54/69/1066765469.db2.gz XBQQJOKZFSWZKJ-HXUWFJFHSA-N 0 0 454.592 4.550 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC)cc1Br ZINC001447012868 1066765381 /nfs/dbraw/zinc/76/53/81/1066765381.db2.gz NAGSAMBULPXSEL-SUNYJGFJSA-N 0 0 457.409 4.964 20 0 JJADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447011611 1066765422 /nfs/dbraw/zinc/76/54/22/1066765422.db2.gz LJESZLPKYAVWSZ-XLIONFOSSA-N 0 0 454.514 4.508 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@H]2CCCC[C@@H]2C)CCO1 ZINC001546087375 1066766017 /nfs/dbraw/zinc/76/60/17/1066766017.db2.gz KWMQJHBVKQTEAX-HEKZAOSPSA-N 0 0 472.630 4.563 20 0 JJADRN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001447014212 1066766156 /nfs/dbraw/zinc/76/61/56/1066766156.db2.gz XPYHSUDXEKFAQD-HLAWJBBLSA-N 0 0 451.007 4.536 20 0 JJADRN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001447014973 1066766168 /nfs/dbraw/zinc/76/61/68/1066766168.db2.gz XPYHSUDXEKFAQD-HMXCVIKNSA-N 0 0 451.007 4.536 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492655381 1066766271 /nfs/dbraw/zinc/76/62/71/1066766271.db2.gz POPXHBASAHQYCD-GTOJURISSA-N 0 0 482.679 4.534 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492655384 1066766278 /nfs/dbraw/zinc/76/62/78/1066766278.db2.gz POPXHBASAHQYCD-UGAOPGRHSA-N 0 0 482.679 4.534 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)s1 ZINC001492654883 1066766362 /nfs/dbraw/zinc/76/63/62/1066766362.db2.gz GESACAIYBWDQOV-OAHLLOKOSA-N 0 0 493.464 4.660 20 0 JJADRN O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CC[C@H](CSc2ccccc2)C1 ZINC001457119092 1066766454 /nfs/dbraw/zinc/76/64/54/1066766454.db2.gz FUATZDBXMNHLPA-AWEZNQCLSA-N 0 0 450.461 4.680 20 0 JJADRN COc1cc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cnc1Br ZINC001457119729 1066766466 /nfs/dbraw/zinc/76/64/66/1066766466.db2.gz BKKSHOPGUODBGP-UHFFFAOYSA-N 0 0 454.040 4.886 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2nn(C)cc2Br)c2cc(F)ccc2F)c1 ZINC001457121858 1066766478 /nfs/dbraw/zinc/76/64/78/1066766478.db2.gz XPCIDRRVYJNIAY-KRWDZBQOSA-N 0 0 452.324 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2C1 ZINC001447019073 1066766626 /nfs/dbraw/zinc/76/66/26/1066766626.db2.gz DRVYABDEFYVWGB-UHFFFAOYSA-N 0 0 457.530 4.858 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991705 1066766751 /nfs/dbraw/zinc/76/67/51/1066766751.db2.gz XJXASUSSLJPGFM-BXKMTCNYSA-N 0 0 452.002 4.806 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2)s1 ZINC001492655651 1066767406 /nfs/dbraw/zinc/76/74/06/1066767406.db2.gz VLCFYDRUOVRTCN-UHFFFAOYSA-N 0 0 461.389 4.581 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c2ccccc2)cc1 ZINC001457128355 1066768089 /nfs/dbraw/zinc/76/80/89/1066768089.db2.gz UBHQFXGKPPYXRW-OFNKIYASSA-N 0 0 455.558 4.502 20 0 JJADRN C[C@@H]1[C@H](C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC001457127284 1066768131 /nfs/dbraw/zinc/76/81/31/1066768131.db2.gz DZARLZYEVXVROC-XKXDIVCFSA-N 0 0 455.526 4.624 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c2ccccc2)cc1 ZINC001457128368 1066768238 /nfs/dbraw/zinc/76/82/38/1066768238.db2.gz UBHQFXGKPPYXRW-REWPJTCUSA-N 0 0 455.558 4.502 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492656269 1066768401 /nfs/dbraw/zinc/76/84/01/1066768401.db2.gz CHPOQIJXWAWGRJ-AWEZNQCLSA-N 0 0 486.589 4.600 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)s1 ZINC001492656316 1066768482 /nfs/dbraw/zinc/76/84/82/1066768482.db2.gz DUZTYXZAJHWTMI-NRFANRHFSA-N 0 0 469.655 4.702 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492656355 1066768490 /nfs/dbraw/zinc/76/84/90/1066768490.db2.gz FTABRNYEMCYQEN-GOSISDBHSA-N 0 0 476.691 4.676 20 0 JJADRN CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)N1CCO[C@H](CC)C1 ZINC001447035103 1066768461 /nfs/dbraw/zinc/76/84/61/1066768461.db2.gz XYJDHSQGHKYDFU-DHIUTWEWSA-N 0 0 459.428 4.867 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1F ZINC001447044602 1066768535 /nfs/dbraw/zinc/76/85/35/1066768535.db2.gz BVVJUKIPFZPCFG-QFIPXVFZSA-N 0 0 454.521 4.707 20 0 JJADRN CCCN(CCNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001447046357 1066768611 /nfs/dbraw/zinc/76/86/11/1066768611.db2.gz BKPDLYGPCGSREI-IBGZPJMESA-N 0 0 455.640 4.613 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@H](C)Oc3cccc(Br)c3)c3c2CCC3)cc1 ZINC001457134344 1066769576 /nfs/dbraw/zinc/76/95/76/1066769576.db2.gz NOQVHAUHXPQMCW-INIZCTEOSA-N 0 0 454.368 4.629 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001447051163 1066769605 /nfs/dbraw/zinc/76/96/05/1066769605.db2.gz JFKMYVLHWZAEAM-LJQANCHMSA-N 0 0 457.578 4.759 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C)CCOCC2)CCO1 ZINC001546087066 1066770193 /nfs/dbraw/zinc/77/01/93/1066770193.db2.gz FDVWWHVTSYTZSM-AREMUKBSSA-N 0 0 472.630 4.563 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC001492657231 1066770435 /nfs/dbraw/zinc/77/04/35/1066770435.db2.gz SKZPMTRQNFUZPI-NRFANRHFSA-N 0 0 453.656 4.631 20 0 JJADRN COc1ccc(Cl)cc1NCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001457137625 1066770434 /nfs/dbraw/zinc/77/04/34/1066770434.db2.gz XLODQNCWWMUJFE-UHFFFAOYSA-N 0 0 454.301 4.736 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)[C@@H](C)c3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492657235 1066770468 /nfs/dbraw/zinc/77/04/68/1066770468.db2.gz PYWLJLBYORIEDE-AVRWGWEMSA-N 0 0 487.645 4.971 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546087072 1066770539 /nfs/dbraw/zinc/77/05/39/1066770539.db2.gz FKQYGORAMQPOFU-GASOQUEOSA-N 0 0 486.657 4.951 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545992241 1066770712 /nfs/dbraw/zinc/77/07/12/1066770712.db2.gz GQQXIFDKGMETSN-LJQANCHMSA-N 0 0 459.635 4.815 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cscn2)s1 ZINC001492657395 1066771036 /nfs/dbraw/zinc/77/10/36/1066771036.db2.gz SBJCXGBMQLNFAC-IEBWSBKVSA-N 0 0 460.673 4.606 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@@H]2C)CCO1 ZINC001546087110 1066770997 /nfs/dbraw/zinc/77/09/97/1066770997.db2.gz GRPMNKVKMKMNMC-PONJGIIJSA-N 0 0 453.414 4.930 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c2c1CCC2 ZINC001457139649 1066771045 /nfs/dbraw/zinc/77/10/45/1066771045.db2.gz VMAYYDXEDMGXGG-DEOSSOPVSA-N 0 0 455.526 4.685 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001492657738 1066771441 /nfs/dbraw/zinc/77/14/41/1066771441.db2.gz YKQKGAFOKMJEIX-UHFFFAOYSA-N 0 0 484.576 4.818 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cc(Br)c(C)n(C)c2=O)cc1 ZINC001457140639 1066771563 /nfs/dbraw/zinc/77/15/63/1066771563.db2.gz OJEZJFGSJCIBHR-AWEZNQCLSA-N 0 0 455.352 4.623 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545992421 1066771958 /nfs/dbraw/zinc/77/19/58/1066771958.db2.gz INPDLWSDGJMTPJ-JBYIUTFZSA-N 0 0 497.596 4.884 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492657904 1066772030 /nfs/dbraw/zinc/77/20/30/1066772030.db2.gz FJWDWLMAPRNTFH-MRXNPFEDSA-N 0 0 451.518 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)c1cc(OCc2ccccc2)cs1 ZINC001457144654 1066772136 /nfs/dbraw/zinc/77/21/36/1066772136.db2.gz PXMHFHVHKKNEGM-UHFFFAOYSA-N 0 0 458.580 4.527 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)(C)C)CCO1 ZINC001546087200 1066772158 /nfs/dbraw/zinc/77/21/58/1066772158.db2.gz IEZJIBFWMKPPFI-NRFANRHFSA-N 0 0 469.399 4.667 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC(C)C)s1 ZINC001492658206 1066772571 /nfs/dbraw/zinc/77/25/71/1066772571.db2.gz OKKGXCYHWTYQRJ-UHFFFAOYSA-N 0 0 462.664 4.606 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3cc4c([nH]3)c(Br)ccc4OC)n(C)n2)c1 ZINC001447097950 1066772560 /nfs/dbraw/zinc/77/25/60/1066772560.db2.gz BGTFRNULFKWBQP-UHFFFAOYSA-N 0 0 455.312 4.600 20 0 JJADRN COc1cc(CNC(=O)c2c(C)cccc2O)cc(Br)c1OCc1ccccc1 ZINC001447100885 1066772743 /nfs/dbraw/zinc/77/27/43/1066772743.db2.gz FGSWMTASDYFIHV-UHFFFAOYSA-N 0 0 456.336 4.981 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)NCc3ccnc(Oc4cccc(C)c4C)c3)c2)o1 ZINC001457148300 1066772998 /nfs/dbraw/zinc/77/29/98/1066772998.db2.gz LEDLQJDADYTRRR-UHFFFAOYSA-N 0 0 458.518 4.660 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)n1 ZINC001457146996 1066773014 /nfs/dbraw/zinc/77/30/14/1066773014.db2.gz FAOIDRIMOMOXKC-QZTJIDSGSA-N 0 0 455.514 4.957 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Br)s2)s1 ZINC001492658479 1066773044 /nfs/dbraw/zinc/77/30/44/1066773044.db2.gz SEDDERNTVJJAHU-UHFFFAOYSA-N 0 0 477.457 4.866 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001492658481 1066773113 /nfs/dbraw/zinc/77/31/13/1066773113.db2.gz DZNGXSIPTGHJCI-UYAOXDASSA-N 0 0 455.628 4.772 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)n1 ZINC001457147002 1066773076 /nfs/dbraw/zinc/77/30/76/1066773076.db2.gz FAOIDRIMOMOXKC-ROUUACIJSA-N 0 0 455.514 4.957 20 0 JJADRN CCOC(=O)CC1(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CCCCC1 ZINC001447101172 1066773234 /nfs/dbraw/zinc/77/32/34/1066773234.db2.gz JEUQVMQEERBZEE-UHFFFAOYSA-N 0 0 454.258 4.639 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Oc3ccc(CC)cc3OC)cc2)cc1 ZINC001447102724 1066773293 /nfs/dbraw/zinc/77/32/93/1066773293.db2.gz LMNLPFKWIKTBMC-UHFFFAOYSA-N 0 0 455.532 4.676 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C12CCCC2 ZINC001457149140 1066773619 /nfs/dbraw/zinc/77/36/19/1066773619.db2.gz ZLFVVKOWPIEVLI-CHWSQXEVSA-N 0 0 451.707 4.551 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)s2)s1 ZINC001492658841 1066773698 /nfs/dbraw/zinc/77/36/98/1066773698.db2.gz YGVKNYAVOSLANZ-UHFFFAOYSA-N 0 0 463.430 4.855 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492658896 1066773978 /nfs/dbraw/zinc/77/39/78/1066773978.db2.gz ZHZMQKLGOUAAAX-OAHLLOKOSA-N 0 0 494.434 4.831 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546087628 1066774012 /nfs/dbraw/zinc/77/40/12/1066774012.db2.gz PRAKHPKZPJPRJD-FJDUUPPCSA-N 0 0 462.038 4.983 20 0 JJADRN O=C(Cc1sc(-c2cccs2)nc1-c1ccccc1)N[C@H](CO)Cc1ccc(O)cc1 ZINC001447108759 1066774368 /nfs/dbraw/zinc/77/43/68/1066774368.db2.gz JJDVRANEFXJWRH-SFHVURJKSA-N 0 0 450.585 4.507 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)s1 ZINC001447108105 1066774522 /nfs/dbraw/zinc/77/45/22/1066774522.db2.gz JCVDHRPQHMLALO-IUODEOHRSA-N 0 0 456.349 4.823 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nc(C(C)(C)C)cs2)CCO1 ZINC001546087693 1066774710 /nfs/dbraw/zinc/77/47/10/1066774710.db2.gz QPRCFUUUNKTGCB-SANMLTNESA-N 0 0 499.681 4.964 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CCCCCO)s1 ZINC001492658992 1066774709 /nfs/dbraw/zinc/77/47/09/1066774709.db2.gz MSBHUICRSFGARC-UHFFFAOYSA-N 0 0 478.460 4.736 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)s1 ZINC001492659126 1066774813 /nfs/dbraw/zinc/77/48/13/1066774813.db2.gz REODIACIYOGKES-LJQANCHMSA-N 0 0 487.073 4.851 20 0 JJADRN CC1(C)CC(C)(C)c2cc(NC(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OCc3ccccc3)ccc21 ZINC001447109919 1066775078 /nfs/dbraw/zinc/77/50/78/1066775078.db2.gz OVEKHWNNTPABTP-HRFSGMKKSA-N 0 0 450.579 4.746 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCS2)CCO1 ZINC001546087722 1066775237 /nfs/dbraw/zinc/77/52/37/1066775237.db2.gz RQKWYEJPHUKTGW-CYFREDJKSA-N 0 0 460.644 4.642 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(I)cc2)CCO1 ZINC001546087753 1066775250 /nfs/dbraw/zinc/77/52/50/1066775250.db2.gz SFMPKMBICGPECJ-OAQYLSRUSA-N 0 0 492.361 4.505 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)CCO1 ZINC001546087739 1066775291 /nfs/dbraw/zinc/77/52/91/1066775291.db2.gz SCDLCISAGYNSCT-QKKBWIMNSA-N 0 0 451.384 4.898 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)NCC1(c2ccccc2Cl)CCCCC1 ZINC001447113026 1066775591 /nfs/dbraw/zinc/77/55/91/1066775591.db2.gz ZLWXRWGYKBBJEG-UHFFFAOYSA-N 0 0 454.014 4.816 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC001492659337 1066775637 /nfs/dbraw/zinc/77/56/37/1066775637.db2.gz YLQFIINIIOIFPN-PTAUBWNISA-N 0 0 499.534 4.835 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492659445 1066775661 /nfs/dbraw/zinc/77/56/61/1066775661.db2.gz BMODXWPTZBTBJO-UTKZUKDTSA-N 0 0 496.681 4.534 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492659401 1066775830 /nfs/dbraw/zinc/77/58/30/1066775830.db2.gz ZXMRUDXNSLPQBR-BETUJISGSA-N 0 0 463.449 4.650 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CCO1 ZINC001546087805 1066775778 /nfs/dbraw/zinc/77/57/78/1066775778.db2.gz UGEUUNFKJBUPCD-LLJLJFOGSA-N 0 0 463.022 4.818 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)ccc1F ZINC001457160928 1066776162 /nfs/dbraw/zinc/77/61/62/1066776162.db2.gz TWLXIQRSXWDEFP-UHFFFAOYSA-N 0 0 456.514 4.521 20 0 JJADRN Cc1nc(C)c(Cn2c(CC3CCCC3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659512 1066776258 /nfs/dbraw/zinc/77/62/58/1066776258.db2.gz DAHVYNOCKAVGGX-OXJNMPFZSA-N 0 0 488.702 4.872 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC001447129216 1066776731 /nfs/dbraw/zinc/77/67/31/1066776731.db2.gz JRHGURZKRZQIIN-CQSZACIVSA-N 0 0 451.283 4.501 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CC[C@@H](SC)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457163511 1066776749 /nfs/dbraw/zinc/77/67/49/1066776749.db2.gz LAYJOJIDDWPDCQ-JWMZNBFRSA-N 0 0 452.620 4.888 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Br)CC2)cc1 ZINC001457161759 1066776795 /nfs/dbraw/zinc/77/67/95/1066776795.db2.gz WIBYURYEMIVWNY-UHFFFAOYSA-N 0 0 452.190 4.736 20 0 JJADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001457161521 1066776906 /nfs/dbraw/zinc/77/69/06/1066776906.db2.gz KJMPQQDRMFRJLS-UGKGYDQZSA-N 0 0 458.624 4.870 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC001457161959 1066776919 /nfs/dbraw/zinc/77/69/19/1066776919.db2.gz JOBGCJAXZMTWCJ-DOTOQJQBSA-N 0 0 451.350 4.852 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)Oc1ccc(F)cc1 ZINC001447133410 1066777561 /nfs/dbraw/zinc/77/75/61/1066777561.db2.gz FBFDIDCPDJAMNX-DTBYZMGXSA-N 0 0 459.926 4.818 20 0 JJADRN Cc1nc(-c2cc3c(s2)CCN(c2nnc(C(C)C)n2CCCCCS(C)(=O)=O)C3)cs1 ZINC001492660541 1066777965 /nfs/dbraw/zinc/77/79/65/1066777965.db2.gz PYLGRPJAPKDWMI-UHFFFAOYSA-N 0 0 493.724 4.673 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492660495 1066777988 /nfs/dbraw/zinc/77/79/88/1066777988.db2.gz PFJOGNGJUHCLDH-GASCZTMLSA-N 0 0 488.580 4.559 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492660599 1066778138 /nfs/dbraw/zinc/77/81/38/1066778138.db2.gz QUTLOZOXMGMERA-GJZGRUSLSA-N 0 0 464.060 4.962 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001447139806 1066778003 /nfs/dbraw/zinc/77/80/03/1066778003.db2.gz ZIXARZUCVJLTRB-MRXNPFEDSA-N 0 0 454.354 4.990 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)NC(=O)OC(C)(C)C ZINC001447148534 1066778103 /nfs/dbraw/zinc/77/81/03/1066778103.db2.gz VCNZBWNMKOYEHK-IEBWSBKVSA-N 0 0 456.530 4.517 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2)NC(=O)OC(C)(C)C ZINC001545993044 1066778198 /nfs/dbraw/zinc/77/81/98/1066778198.db2.gz QYNIHGWTSNQNML-IBGZPJMESA-N 0 0 487.645 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001457166860 1066778230 /nfs/dbraw/zinc/77/82/30/1066778230.db2.gz USGQDQUGHKBSLF-DLBZAZTESA-N 0 0 451.350 4.679 20 0 JJADRN C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC001457168315 1066778527 /nfs/dbraw/zinc/77/85/27/1066778527.db2.gz ITRRVWXAANRMCJ-AWEZNQCLSA-N 0 0 456.543 4.728 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)cs1 ZINC001492661030 1066779325 /nfs/dbraw/zinc/77/93/25/1066779325.db2.gz BRUQYDMDIHCBOC-QGZVFWFLSA-N 0 0 484.645 4.619 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)[C@@H](O)C1CCCCCCC1 ZINC001447167340 1066779887 /nfs/dbraw/zinc/77/98/87/1066779887.db2.gz QSSNSEXXHFKKTP-KRWDZBQOSA-N 0 0 452.311 4.684 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2CCc2c(C)noc2C)cs1 ZINC001492661162 1066780254 /nfs/dbraw/zinc/78/02/54/1066780254.db2.gz FALAXNFIJOYRJJ-KRWDZBQOSA-N 0 0 450.612 4.987 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1Cl ZINC001447182884 1066780747 /nfs/dbraw/zinc/78/07/47/1066780747.db2.gz CTRISNQHTOSSTM-MRXNPFEDSA-N 0 0 452.864 4.526 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001447176725 1066780795 /nfs/dbraw/zinc/78/07/95/1066780795.db2.gz UGFLEWKDMOMFFD-QGZVFWFLSA-N 0 0 456.732 4.803 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(OC(C)C)c3)cc2)cc1 ZINC001447186607 1066780895 /nfs/dbraw/zinc/78/08/95/1066780895.db2.gz NFLPJKXGXZVFTQ-UHFFFAOYSA-N 0 0 452.576 4.855 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccco3)n2CCOc2ncccc2Cl)cs1 ZINC001492661680 1066781387 /nfs/dbraw/zinc/78/13/87/1066781387.db2.gz KWECMPHXKJSLNV-CQSZACIVSA-N 0 0 458.975 4.552 20 0 JJADRN C[C@](O)(CNC(=O)c1cccc(OCc2ccccc2Br)c1)c1ccc(F)cc1 ZINC001447192567 1066781452 /nfs/dbraw/zinc/78/14/52/1066781452.db2.gz HEHGDSUYPNWIFS-QHCPKHFHSA-N 0 0 458.327 4.805 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1sc2ccccc2c1Br ZINC001447200508 1066781711 /nfs/dbraw/zinc/78/17/11/1066781711.db2.gz KZPXADHJTXGOFR-HNNXBMFYSA-N 0 0 459.365 4.513 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2Cc2sc(C)nc2C)cs1 ZINC001492661985 1066781934 /nfs/dbraw/zinc/78/19/34/1066781934.db2.gz OHGDDUIMZIFLBV-CQSZACIVSA-N 0 0 454.625 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2Cc2nccc(C(F)F)n2)cs1 ZINC001492662409 1066782272 /nfs/dbraw/zinc/78/22/72/1066782272.db2.gz SMDOZONKBNIROO-GFCCVEGCSA-N 0 0 461.567 4.669 20 0 JJADRN CCc1nc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)nn1-c1ccccc1F ZINC001447200889 1066782279 /nfs/dbraw/zinc/78/22/79/1066782279.db2.gz PRYCPFDDOYZXNM-UHFFFAOYSA-N 0 0 455.946 4.718 20 0 JJADRN Cc1c(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)nnn1CCOc1ccc(F)cc1 ZINC001457188108 1066782849 /nfs/dbraw/zinc/78/28/49/1066782849.db2.gz GAKKIHLRUVWDIU-SFHVURJKSA-N 0 0 457.811 4.918 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(S(=O)(=O)Nc3ccccc3F)c[nH]1)CCC2 ZINC001447232820 1066783931 /nfs/dbraw/zinc/78/39/31/1066783931.db2.gz NBMRTBHADWHQNI-OAQYLSRUSA-N 0 0 455.555 4.885 20 0 JJADRN CC(C)(C)[C@H]1C[C@@H](NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001447230971 1066783958 /nfs/dbraw/zinc/78/39/58/1066783958.db2.gz HHVMSFBNGMHSPD-MHECFPHRSA-N 0 0 450.579 4.625 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001545993655 1066783988 /nfs/dbraw/zinc/78/39/88/1066783988.db2.gz AEJLZICROIIAMX-UHFFFAOYSA-N 0 0 456.539 4.578 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492664029 1066783941 /nfs/dbraw/zinc/78/39/41/1066783941.db2.gz BYMYHJOPXBBEOS-MRXNPFEDSA-N 0 0 481.695 4.801 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001457194180 1066784329 /nfs/dbraw/zinc/78/43/29/1066784329.db2.gz BVBCPYCLWPEABT-LJQANCHMSA-N 0 0 457.665 4.840 20 0 JJADRN CO[C@@H](C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F ZINC001457193847 1066784351 /nfs/dbraw/zinc/78/43/51/1066784351.db2.gz JGDDLTNUOYCYGV-QFBILLFUSA-N 0 0 458.521 4.936 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)CCOc1cccc(C=O)c1)C(F)(F)F ZINC001457194915 1066784377 /nfs/dbraw/zinc/78/43/77/1066784377.db2.gz VFVCYBASDQEPLY-NRFANRHFSA-N 0 0 459.468 4.533 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3cccc(-c4cn[nH]c4)c3)cc2Br)no1 ZINC001447243947 1066784372 /nfs/dbraw/zinc/78/43/72/1066784372.db2.gz FFFJXKXVDXPQFP-UHFFFAOYSA-N 0 0 453.296 4.967 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001492664239 1066784457 /nfs/dbraw/zinc/78/44/57/1066784457.db2.gz GOIVONPNIDNKGS-RTBURBONSA-N 0 0 496.681 4.529 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492664272 1066784470 /nfs/dbraw/zinc/78/44/70/1066784470.db2.gz HIEOLZWLCOEHEF-ZIAGYGMSSA-N 0 0 471.656 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492664237 1066784543 /nfs/dbraw/zinc/78/45/43/1066784543.db2.gz GOIVONPNIDNKGS-CEQLMSFQSA-N 0 0 496.681 4.529 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccccn1 ZINC001447235102 1066784595 /nfs/dbraw/zinc/78/45/95/1066784595.db2.gz XEUOIZQIRRSBCE-VWLOTQADSA-N 0 0 458.587 4.891 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC001457195272 1066784986 /nfs/dbraw/zinc/78/49/86/1066784986.db2.gz VWUQUGLUEATCCG-UHFFFAOYSA-N 0 0 455.658 4.654 20 0 JJADRN Cc1cccc([C@@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)c1 ZINC001447262829 1066785391 /nfs/dbraw/zinc/78/53/91/1066785391.db2.gz QWNBTICALOXUJW-XMSQKQJNSA-N 0 0 454.357 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492665114 1066785360 /nfs/dbraw/zinc/78/53/60/1066785360.db2.gz XJIUFXNYVMKLPL-CYBMUJFWSA-N 0 0 493.584 4.792 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2Cc2c(F)cccc2OC(F)F)cs1 ZINC001492664929 1066785508 /nfs/dbraw/zinc/78/55/08/1066785508.db2.gz RFTIYFOCJSVNML-UHFFFAOYSA-N 0 0 453.534 4.905 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCc2csc(C(C)(C)C)n2)cs1 ZINC001492664691 1066785628 /nfs/dbraw/zinc/78/56/28/1066785628.db2.gz NXXKEJWDWGFDDC-UHFFFAOYSA-N 0 0 458.579 4.629 20 0 JJADRN CCc1c(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1Cc1ccccc1 ZINC001457198611 1066786745 /nfs/dbraw/zinc/78/67/45/1066786745.db2.gz RYWYWJZYFJPFNZ-HXUWFJFHSA-N 0 0 454.615 4.651 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492665448 1066786776 /nfs/dbraw/zinc/78/67/76/1066786776.db2.gz IYAQXOROOQWCSU-QFIPXVFZSA-N 0 0 482.057 4.622 20 0 JJADRN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC001447276209 1066786974 /nfs/dbraw/zinc/78/69/74/1066786974.db2.gz UWEPFBMROAOJTD-QPPBQGQZSA-N 0 0 458.599 4.714 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001457200856 1066787265 /nfs/dbraw/zinc/78/72/65/1066787265.db2.gz RDJFZEBDRMOHIV-LJQANCHMSA-N 0 0 453.995 4.966 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3N3CCCC3)n2CCC(C)(F)F)cs1 ZINC001492665717 1066787718 /nfs/dbraw/zinc/78/77/18/1066787718.db2.gz SSDYWMUNLQVHOM-UHFFFAOYSA-N 0 0 460.598 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3cc(F)ccc3O)c(Br)c2C1 ZINC001447287151 1066788027 /nfs/dbraw/zinc/78/80/27/1066788027.db2.gz JLFMTRYFDZCMKY-UHFFFAOYSA-N 0 0 457.321 4.858 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 ZINC001457202908 1066788085 /nfs/dbraw/zinc/78/80/85/1066788085.db2.gz UEBXCKURTQGXBF-GOSISDBHSA-N 0 0 457.361 4.604 20 0 JJADRN O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc2[nH]cc(I)c2c1 ZINC001447290831 1066788258 /nfs/dbraw/zinc/78/82/58/1066788258.db2.gz YKIHBGYEQYMAEQ-UHFFFAOYSA-N 0 0 452.242 4.860 20 0 JJADRN CC1=CCN(C(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)CC1 ZINC001447290885 1066788294 /nfs/dbraw/zinc/78/82/94/1066788294.db2.gz YPBDAEAUSKDJPR-DEOSSOPVSA-N 0 0 450.579 4.880 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(C)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001457203270 1066788419 /nfs/dbraw/zinc/78/84/19/1066788419.db2.gz ZYAFKYGYDZYLGB-OFVILXPXSA-N 0 0 450.579 4.803 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@@H]2CCCCO2)cs1 ZINC001492665964 1066788734 /nfs/dbraw/zinc/78/87/34/1066788734.db2.gz CXSKIDJOOACFLV-KRWDZBQOSA-N 0 0 483.535 4.997 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492665956 1066789069 /nfs/dbraw/zinc/78/90/69/1066789069.db2.gz CTCSULKNEDUYCG-UHFFFAOYSA-N 0 0 492.436 4.986 20 0 JJADRN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001457205315 1066789340 /nfs/dbraw/zinc/78/93/40/1066789340.db2.gz SZVHWJAJSZGQBY-HNNXBMFYSA-N 0 0 450.295 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3Br)n2CCC2CCOCC2)cs1 ZINC001492666081 1066789343 /nfs/dbraw/zinc/78/93/43/1066789343.db2.gz ZQUJWDFXRRLBTI-UHFFFAOYSA-N 0 0 490.471 4.849 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492666097 1066789464 /nfs/dbraw/zinc/78/94/64/1066789464.db2.gz ZZCTYGRKBXOMNO-UHFFFAOYSA-N 0 0 462.623 4.809 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2Cc2ccccc2OC(F)F)cs1 ZINC001492666094 1066789512 /nfs/dbraw/zinc/78/95/12/1066789512.db2.gz GVDASIZOWISOGY-UHFFFAOYSA-N 0 0 474.537 4.525 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cnn(-c3cccc(C)c3)c2C)c1 ZINC001447310359 1066789753 /nfs/dbraw/zinc/78/97/53/1066789753.db2.gz LOXNBEAOEPVDDV-HHHXNRCGSA-N 0 0 455.558 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3C)n2C[C@@H](C)Oc2ccccc2C)cs1 ZINC001492666155 1066789928 /nfs/dbraw/zinc/78/99/28/1066789928.db2.gz JCVNZRJLNQAVJT-QGZVFWFLSA-N 0 0 451.596 4.948 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001492666145 1066790069 /nfs/dbraw/zinc/79/00/69/1066790069.db2.gz INQNVAKYDNYFMX-LJQANCHMSA-N 0 0 490.471 4.848 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)s3)n2C[C@@]2(C)CCCO2)cs1 ZINC001492666102 1066790088 /nfs/dbraw/zinc/79/00/88/1066790088.db2.gz HCCFMIRNKNYRTR-LJQANCHMSA-N 0 0 482.473 4.663 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)Nc1ccccc1 ZINC001457208221 1066790347 /nfs/dbraw/zinc/79/03/47/1066790347.db2.gz STCKLUCLVJEBBM-JOCHJYFZSA-N 0 0 453.583 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@](C)(O)CCC(C)C)cs1 ZINC001492666194 1066790332 /nfs/dbraw/zinc/79/03/32/1066790332.db2.gz KRMUIMMGOKMRCO-OAQYLSRUSA-N 0 0 496.475 4.813 20 0 JJADRN C[C@H](CC(=O)N1CCC[C@H]1Cn1cnc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447315179 1066790463 /nfs/dbraw/zinc/79/04/63/1066790463.db2.gz WBMBADWEAOGXDH-CTNGQTDRSA-N 0 0 454.615 4.701 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001447313066 1066790581 /nfs/dbraw/zinc/79/05/81/1066790581.db2.gz ALEFCIPMIMGUTO-SFHVURJKSA-N 0 0 451.962 4.768 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001457208525 1066790739 /nfs/dbraw/zinc/79/07/39/1066790739.db2.gz PSQBOPFZLZIJMG-MAUKXSAKSA-N 0 0 454.995 4.903 20 0 JJADRN Cc1nnsc1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316134 1066790797 /nfs/dbraw/zinc/79/07/97/1066790797.db2.gz QEXQERJXIBIJEM-DEOSSOPVSA-N 0 0 459.571 4.802 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001492666273 1066790838 /nfs/dbraw/zinc/79/08/38/1066790838.db2.gz NRGZPJVMMPYLIK-HUUCEWRRSA-N 0 0 461.035 4.522 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001492666440 1066791531 /nfs/dbraw/zinc/79/15/31/1066791531.db2.gz UFKMNDLGZRRVPH-UHFFFAOYSA-N 0 0 485.608 4.758 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H]2CCOC[C@@H]2C)cs1 ZINC001492666578 1066792346 /nfs/dbraw/zinc/79/23/46/1066792346.db2.gz ZCERGUIDXYTHJG-ZFWWWQNUSA-N 0 0 452.049 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC2(C)CCOCC2)cs1 ZINC001492666546 1066792470 /nfs/dbraw/zinc/79/24/70/1066792470.db2.gz YFPBJTCNQLEKFF-UHFFFAOYSA-N 0 0 477.581 4.688 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)n3)nnc2-c2ccco2)cc1 ZINC001457217394 1066792451 /nfs/dbraw/zinc/79/24/51/1066792451.db2.gz KNNOESGYRMLWCG-UHFFFAOYSA-N 0 0 455.927 4.705 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2cc(Br)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447325209 1066792938 /nfs/dbraw/zinc/79/29/38/1066792938.db2.gz ARXFHBCFTYXLGW-RDTXWAMCSA-N 0 0 457.384 4.673 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1cc(Cl)ccc1I ZINC001457220068 1066793004 /nfs/dbraw/zinc/79/30/04/1066793004.db2.gz RTAMQNKJTPEMBO-UHFFFAOYSA-N 0 0 454.720 4.998 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492667327 1066793475 /nfs/dbraw/zinc/79/34/75/1066793475.db2.gz CAXMWDNTORRCFX-XLIONFOSSA-N 0 0 457.669 4.820 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492667245 1066793527 /nfs/dbraw/zinc/79/35/27/1066793527.db2.gz ZKLSJTAYHLZSQW-OAQYLSRUSA-N 0 0 482.000 4.676 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1ncc(Br)cc1Br ZINC001457220949 1066793421 /nfs/dbraw/zinc/79/34/21/1066793421.db2.gz GMMZAFSEOVWMMR-UHFFFAOYSA-N 0 0 455.024 4.862 20 0 JJADRN CSc1ncc(Cl)c(C(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)n1 ZINC001447327742 1066793690 /nfs/dbraw/zinc/79/36/90/1066793690.db2.gz GUIBWMPQYZYADI-UHFFFAOYSA-N 0 0 450.008 4.947 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1[nH]nc2nc(C(F)(F)F)ccc21 ZINC001457226089 1066794458 /nfs/dbraw/zinc/79/44/58/1066794458.db2.gz SJDPJIAVIHGVRU-UHFFFAOYSA-N 0 0 452.799 4.575 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492667799 1066794900 /nfs/dbraw/zinc/79/49/00/1066794900.db2.gz PIYFGGIAVKYMKK-HXUWFJFHSA-N 0 0 488.702 4.907 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)NC(=O)OC(C)(C)C)CCO1 ZINC001546088948 1066794968 /nfs/dbraw/zinc/79/49/68/1066794968.db2.gz DVURUZJQJPYBJL-MHZLTWQESA-N 0 0 494.640 4.802 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cc(Cl)ccc1F ZINC001447335775 1066795505 /nfs/dbraw/zinc/79/55/05/1066795505.db2.gz RMNMZMGEGMQJSX-CYBMUJFWSA-N 0 0 450.894 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccccc1 ZINC001457230377 1066795422 /nfs/dbraw/zinc/79/54/22/1066795422.db2.gz KVUDNVPUMHGSSN-ZEQRLZLVSA-N 0 0 452.595 4.893 20 0 JJADRN COCCOCc1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)cc1 ZINC001457231779 1066795552 /nfs/dbraw/zinc/79/55/52/1066795552.db2.gz MEQQHZDEXFPTHS-NRFANRHFSA-N 0 0 458.558 4.822 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)CC[C@@H](C)c2ccccc21 ZINC001457230357 1066795562 /nfs/dbraw/zinc/79/55/62/1066795562.db2.gz RWZQBZAFFXIFBY-ZLOXQWCVSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC001492668383 1066795819 /nfs/dbraw/zinc/79/58/19/1066795819.db2.gz ISPAYTFSWCIMGD-UHFFFAOYSA-N 0 0 468.549 4.501 20 0 JJADRN C[C@@H](C(=O)N1CCc2c(Br)ccc(Cl)c2C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001447343064 1066796329 /nfs/dbraw/zinc/79/63/29/1066796329.db2.gz BLNNCKXCNUUDEE-LBPRGKRZSA-N 0 0 457.796 4.775 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC001457238538 1066796340 /nfs/dbraw/zinc/79/63/40/1066796340.db2.gz KYFXQRRHINOOMK-UHFFFAOYSA-N 0 0 451.470 4.976 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](C)Nc2ccnn21 ZINC001447342656 1066796390 /nfs/dbraw/zinc/79/63/90/1066796390.db2.gz BAXQYFLJKMZBFO-BFHYXJOUSA-N 0 0 451.796 4.655 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N3CC[C@H](OCCCc4ccccc4)C3)cs2)cc1 ZINC001457236315 1066796661 /nfs/dbraw/zinc/79/66/61/1066796661.db2.gz XOPMXEHCTUOFFJ-DEOSSOPVSA-N 0 0 450.604 4.823 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC001457240848 1066796987 /nfs/dbraw/zinc/79/69/87/1066796987.db2.gz DFPKCMLLQYEGNY-ZDUSSCGKSA-N 0 0 450.580 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001447347738 1066796966 /nfs/dbraw/zinc/79/69/66/1066796966.db2.gz JBWDHYUMEQARJY-ASSNKEHSSA-N 0 0 469.807 4.777 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3C)n2C[C@]2(O)CCCC2(C)C)cs1 ZINC001492669087 1066797388 /nfs/dbraw/zinc/79/73/88/1066797388.db2.gz IWZDPUPZNJDIBA-AREMUKBSSA-N 0 0 483.682 4.789 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCc3ccccn3)n2Cc2ccc(Cl)cc2)cs1 ZINC001492668844 1066797457 /nfs/dbraw/zinc/79/74/57/1066797457.db2.gz ZOILQRWGDHHCSR-UHFFFAOYSA-N 0 0 453.015 4.800 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1CCCO1 ZINC001447358143 1066797564 /nfs/dbraw/zinc/79/75/64/1066797564.db2.gz HLIKALGPEUKWFG-CEYNDMKZSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3cccc(Cl)c3)n2Cc2ccncc2Cl)cs1 ZINC001492669352 1066797671 /nfs/dbraw/zinc/79/76/71/1066797671.db2.gz RZOPLCBNAFRFLD-UHFFFAOYSA-N 0 0 489.432 4.899 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492669183 1066797802 /nfs/dbraw/zinc/79/78/02/1066797802.db2.gz LXGBZNXDRDOUEB-UHFFFAOYSA-N 0 0 488.539 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)cs1 ZINC001492669262 1066797866 /nfs/dbraw/zinc/79/78/66/1066797866.db2.gz NWEFOUHTYRZPSA-VWLOTQADSA-N 0 0 487.645 4.619 20 0 JJADRN Cc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1I ZINC001447360860 1066797922 /nfs/dbraw/zinc/79/79/22/1066797922.db2.gz LMYRBKRFWWWJGL-FQEVSTJZSA-N 0 0 457.311 4.730 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492669699 1066798264 /nfs/dbraw/zinc/79/82/64/1066798264.db2.gz HHBKFLXEOHMWPB-UHFFFAOYSA-N 0 0 486.642 4.509 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H]2CCC[C@@H](O)C2)cs1 ZINC001492669589 1066798580 /nfs/dbraw/zinc/79/85/80/1066798580.db2.gz CCHVQDLGMKCPOP-SIKLNZKXSA-N 0 0 457.619 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)cs1 ZINC001492669881 1066798611 /nfs/dbraw/zinc/79/86/11/1066798611.db2.gz KGIGJISKALIUGX-QUCCMNQESA-N 0 0 483.535 4.870 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCc2ccccc2OC(F)F)cs1 ZINC001492669833 1066798704 /nfs/dbraw/zinc/79/87/04/1066798704.db2.gz BIASWUUNUNMMGR-UHFFFAOYSA-N 0 0 491.608 4.872 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)CCCOc3ccccc3Cl)ccc2C)ccn1 ZINC001457265158 1066799092 /nfs/dbraw/zinc/79/90/92/1066799092.db2.gz HWQLJSWWQGQFRF-UHFFFAOYSA-N 0 0 453.926 4.993 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001447365407 1066799129 /nfs/dbraw/zinc/79/91/29/1066799129.db2.gz HCYXDPRWYKSHLV-WMQCIHAUSA-N 0 0 458.624 4.612 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492669907 1066799096 /nfs/dbraw/zinc/79/90/96/1066799096.db2.gz KXLWNGNPAIWQAZ-OXQOHEQNSA-N 0 0 490.674 4.590 20 0 JJADRN CC[C@@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001457264444 1066799261 /nfs/dbraw/zinc/79/92/61/1066799261.db2.gz HDNUHYWCXDRVGD-MRXNPFEDSA-N 0 0 453.004 4.682 20 0 JJADRN Cc1nc(Cc2nnc(N(CCC(C)C)C3CC3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001492670306 1066799526 /nfs/dbraw/zinc/79/95/26/1066799526.db2.gz RUWVZRUMFACILT-UHFFFAOYSA-N 0 0 484.636 4.923 20 0 JJADRN CCC(CC)[C@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)N1CCOCC1 ZINC001447365546 1066799751 /nfs/dbraw/zinc/79/97/51/1066799751.db2.gz BPEGQHVWXUBUFO-HSZRJFAPSA-N 0 0 458.002 4.976 20 0 JJADRN CSc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC001457265856 1066799769 /nfs/dbraw/zinc/79/97/69/1066799769.db2.gz KOEIEYBKVNYHTI-GFCCVEGCSA-N 0 0 451.422 4.569 20 0 JJADRN C[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268103 1066799788 /nfs/dbraw/zinc/79/97/88/1066799788.db2.gz RGHPJTNIYPPPNP-FQEVSTJZSA-N 0 0 458.583 4.819 20 0 JJADRN C[C@](O)(CNC(=O)c1cnc(-c2ccccc2Br)s1)c1ccccc1Cl ZINC001447365563 1066799842 /nfs/dbraw/zinc/79/98/42/1066799842.db2.gz BZXRZAMYRGAYOW-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(Cn3cccn3)cc2)cs1 ZINC001492670684 1066799958 /nfs/dbraw/zinc/79/99/58/1066799958.db2.gz ZAXXCOOQFPHZPZ-UHFFFAOYSA-N 0 0 463.655 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@](C)(O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC001447369043 1066800274 /nfs/dbraw/zinc/80/02/74/1066800274.db2.gz WDEBRQTXFSRVJU-AVRDEDQJSA-N 0 0 453.366 4.583 20 0 JJADRN COc1ccc(NC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC(C)C ZINC001447371555 1066800798 /nfs/dbraw/zinc/80/07/98/1066800798.db2.gz KKFKHDUJNLVUCE-LJQANCHMSA-N 0 0 458.559 4.503 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc2c(c1)CN(C(C)=O)C2 ZINC001457273807 1066801305 /nfs/dbraw/zinc/80/13/05/1066801305.db2.gz YMRPTAIOZMWWQX-UHFFFAOYSA-N 0 0 454.324 4.781 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NCCn1cc(-c2ccccc2)nn1 ZINC001457273266 1066801477 /nfs/dbraw/zinc/80/14/77/1066801477.db2.gz GVVUEJUGKWPTPN-UHFFFAOYSA-N 0 0 457.534 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492671141 1066801437 /nfs/dbraw/zinc/80/14/37/1066801437.db2.gz RNKFSJKESIBFOM-UHFFFAOYSA-N 0 0 495.571 4.816 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC(N(C)c4ccccc4)CC3)s2)cc1OC ZINC001457271955 1066801507 /nfs/dbraw/zinc/80/15/07/1066801507.db2.gz VZRYYIICLBIHEQ-UHFFFAOYSA-N 0 0 451.592 4.877 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCCSCC(C)C)cs1 ZINC001492671410 1066801984 /nfs/dbraw/zinc/80/19/84/1066801984.db2.gz WPXZJIAUHHXREU-PBHICJAKSA-N 0 0 477.622 4.569 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492671543 1066802542 /nfs/dbraw/zinc/80/25/42/1066802542.db2.gz YRHINBQCPUHQDO-PXNSSMCTSA-N 0 0 488.702 4.810 20 0 JJADRN C[C@@](O)(C1CCN(C(=O)CCCSc2ccc(Br)cc2)CC1)C(F)(F)F ZINC001447390624 1066802708 /nfs/dbraw/zinc/80/27/08/1066802708.db2.gz FJWLGYCKXOKZCB-QGZVFWFLSA-N 0 0 454.352 4.873 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492671688 1066803125 /nfs/dbraw/zinc/80/31/25/1066803125.db2.gz CAQBSSBRWWVRSO-HXUWFJFHSA-N 0 0 466.655 4.559 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCC([C@](C)(O)C(F)(F)F)CC3)cc2)c(OC)c1 ZINC001447394954 1066803281 /nfs/dbraw/zinc/80/32/81/1066803281.db2.gz TYKWLKOJDWMKNH-QFIPXVFZSA-N 0 0 452.473 4.613 20 0 JJADRN COCCOc1cccc(COC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001457286493 1066803898 /nfs/dbraw/zinc/80/38/98/1066803898.db2.gz HPCRFNBIBCKFLM-YYVWFHOOSA-N 0 0 457.954 4.503 20 0 JJADRN CCOc1cccc([C@H](CC)OC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)c1 ZINC001457283454 1066804022 /nfs/dbraw/zinc/80/40/22/1066804022.db2.gz CHRPKJWOQJGHDH-NRFANRHFSA-N 0 0 457.571 4.781 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2Cc2ccccc2C)cs1 ZINC001492672618 1066804478 /nfs/dbraw/zinc/80/44/78/1066804478.db2.gz DMSKSGBTFLVFFU-QFIPXVFZSA-N 0 0 479.572 4.520 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492672318 1066804564 /nfs/dbraw/zinc/80/45/64/1066804564.db2.gz AADBKKCIXDNCLA-HNNXBMFYSA-N 0 0 461.582 4.863 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC001457287101 1066804413 /nfs/dbraw/zinc/80/44/13/1066804413.db2.gz XXTTWTJMJDYJMT-CQSZACIVSA-N 0 0 457.372 4.674 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC001545995393 1066804450 /nfs/dbraw/zinc/80/44/50/1066804450.db2.gz RUJJOVSFTYBTDB-QFIPXVFZSA-N 0 0 464.658 4.988 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@@H](C)Cc3ccsc3)C2)c2ccccc12 ZINC001457288424 1066804629 /nfs/dbraw/zinc/80/46/29/1066804629.db2.gz ZETXGAJSWABCPS-AZUAARDMSA-N 0 0 450.604 4.852 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492673179 1066805562 /nfs/dbraw/zinc/80/55/62/1066805562.db2.gz NRGSCSFXJPKUJA-GHTZIAJQSA-N 0 0 496.681 4.730 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC(C)(CO)CC3)cc12 ZINC001447409555 1066805719 /nfs/dbraw/zinc/80/57/19/1066805719.db2.gz HSRRMMBTTFGKEK-UHFFFAOYSA-N 0 0 452.407 4.996 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457294628 1066805721 /nfs/dbraw/zinc/80/57/21/1066805721.db2.gz QETXPJRUBGZMPE-HXOBKFHXSA-N 0 0 452.917 4.873 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)cs1 ZINC001492673349 1066806118 /nfs/dbraw/zinc/80/61/18/1066806118.db2.gz RFUXNRUPZVGXNY-QZTJIDSGSA-N 0 0 481.670 4.694 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492673182 1066806137 /nfs/dbraw/zinc/80/61/37/1066806137.db2.gz NRGSCSFXJPKUJA-WIYYLYMNSA-N 0 0 496.681 4.730 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001447415007 1066806385 /nfs/dbraw/zinc/80/63/85/1066806385.db2.gz KQUBVPYECNHKJJ-MBSDFSHPSA-N 0 0 459.537 4.925 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC001457297908 1066806494 /nfs/dbraw/zinc/80/64/94/1066806494.db2.gz PYGKZKBGHNWINL-GTXQTCRKSA-N 0 0 452.448 4.640 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492673461 1066806724 /nfs/dbraw/zinc/80/67/24/1066806724.db2.gz UKKLKBLTCXVCHC-ZWOKBUDYSA-N 0 0 474.675 4.516 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC001457297933 1066806814 /nfs/dbraw/zinc/80/68/14/1066806814.db2.gz PYGKZKBGHNWINL-IFCGJNOESA-N 0 0 452.448 4.640 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C2)C1 ZINC001447422214 1066806912 /nfs/dbraw/zinc/80/69/12/1066806912.db2.gz XXJICZMWMISWHZ-AREMUKBSSA-N 0 0 455.599 4.679 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)Cc2ccsc2)c1 ZINC001457301765 1066807050 /nfs/dbraw/zinc/80/70/50/1066807050.db2.gz UJPLXLFVFCEUAS-QGZVFWFLSA-N 0 0 459.589 4.618 20 0 JJADRN CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1sc2ccccc2c1C ZINC001447418721 1066807041 /nfs/dbraw/zinc/80/70/41/1066807041.db2.gz ZCMUQVIACLQEQC-ZHALLVOQSA-N 0 0 459.656 4.613 20 0 JJADRN COc1cc(C)c(Br)cc1NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447416654 1066807068 /nfs/dbraw/zinc/80/70/68/1066807068.db2.gz VMXRAXKMMGPJSO-HVHJFMEUSA-N 0 0 453.377 4.908 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C ZINC001447425339 1066807484 /nfs/dbraw/zinc/80/74/84/1066807484.db2.gz JTEHDMAIHAOICM-KRWDZBQOSA-N 0 0 454.567 4.547 20 0 JJADRN CC(C)c1ccc(CC2CCN(C(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2)cc1 ZINC001447426472 1066807615 /nfs/dbraw/zinc/80/76/15/1066807615.db2.gz KNEIDJQRCSVKGM-UHFFFAOYSA-N 0 0 456.652 4.982 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674116 1066807443 /nfs/dbraw/zinc/80/74/43/1066807443.db2.gz KZMRLYOVNXHWAZ-YQVWRLOYSA-N 0 0 474.675 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2ccc(Cl)nc2)cs1 ZINC001492673703 1066807511 /nfs/dbraw/zinc/80/75/11/1066807511.db2.gz ZUIDJRUWFFALQJ-UHFFFAOYSA-N 0 0 456.925 4.509 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 ZINC001457313473 1066808106 /nfs/dbraw/zinc/80/81/06/1066808106.db2.gz CVWYPWOVDNDBBA-SGTLLEGYSA-N 0 0 459.344 4.702 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2Cc2sc(C)nc2C)CCO1 ZINC001546089845 1066808224 /nfs/dbraw/zinc/80/82/24/1066808224.db2.gz XLQGOWKANCFHGJ-NRFANRHFSA-N 0 0 476.444 4.835 20 0 JJADRN C[C@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1cccc(Cl)c1 ZINC001447435890 1066808726 /nfs/dbraw/zinc/80/87/26/1066808726.db2.gz QCWXWTTXXYWWQM-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2Cc2sc(C)nc2C)CCO1 ZINC001546089846 1066808668 /nfs/dbraw/zinc/80/86/68/1066808668.db2.gz XLQGOWKANCFHGJ-OAQYLSRUSA-N 0 0 476.444 4.835 20 0 JJADRN O=C(NCCCc1ccsc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001457315289 1066808819 /nfs/dbraw/zinc/80/88/19/1066808819.db2.gz YATVFUKWRIIOMG-UHFFFAOYSA-N 0 0 452.960 4.704 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC001447435906 1066809250 /nfs/dbraw/zinc/80/92/50/1066809250.db2.gz QMLLGXWDAMBMMK-FQEVSTJZSA-N 0 0 456.652 4.982 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001447436274 1066809263 /nfs/dbraw/zinc/80/92/63/1066809263.db2.gz QJQZODCGTNPTLC-ZODMCCGTSA-N 0 0 451.607 4.966 20 0 JJADRN COc1ccc(CCC(=O)Nc2c(-c3cccnc3)nc3ccccn32)c(Br)c1 ZINC001457318434 1066809194 /nfs/dbraw/zinc/80/91/94/1066809194.db2.gz WEVLFUXLDUFVBK-UHFFFAOYSA-N 0 0 451.324 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492674356 1066809238 /nfs/dbraw/zinc/80/92/38/1066809238.db2.gz RKHJFYKCRYBRHU-CHWSQXEVSA-N 0 0 451.518 4.657 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(I)cc2Br)cc1 ZINC001457317430 1066809366 /nfs/dbraw/zinc/80/93/66/1066809366.db2.gz PKFYGVNBDGLTJD-UONOGXRCSA-N 0 0 472.120 4.805 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](c4ccccc4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492674768 1066809731 /nfs/dbraw/zinc/80/97/31/1066809731.db2.gz WZOFUCCFKGBLHW-XLIONFOSSA-N 0 0 482.654 4.541 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)C1 ZINC001457318710 1066809974 /nfs/dbraw/zinc/80/99/74/1066809974.db2.gz RUGSCENXJSYOLP-OAHLLOKOSA-N 0 0 455.356 4.580 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492675179 1066810275 /nfs/dbraw/zinc/81/02/75/1066810275.db2.gz PGIJTSZTCYKAJV-IBGZPJMESA-N 0 0 476.691 4.762 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F ZINC001447447404 1066810305 /nfs/dbraw/zinc/81/03/05/1066810305.db2.gz PLBMGZGUXSRPRQ-FOWTUZBSSA-N 0 0 458.534 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3csc(Br)c3)cn2)CC1 ZINC001447448705 1066810968 /nfs/dbraw/zinc/81/09/68/1066810968.db2.gz RLMORWVAYDWULM-UHFFFAOYSA-N 0 0 455.378 4.531 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)n1 ZINC001447448014 1066810991 /nfs/dbraw/zinc/81/09/91/1066810991.db2.gz JERAJVOOKNZFRQ-REWPJTCUSA-N 0 0 450.514 4.674 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1)c1ccc2c(c1)CCCC2 ZINC001447452773 1066811118 /nfs/dbraw/zinc/81/11/18/1066811118.db2.gz PIUCKPLGDKJYEJ-UFONIEFXSA-N 0 0 456.627 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2CCc2ccc(Br)cc2)cs1 ZINC001492675400 1066810985 /nfs/dbraw/zinc/81/09/85/1066810985.db2.gz XFPNZKSRWWNOMD-UHFFFAOYSA-N 0 0 482.398 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2CCCCOC(C)C)cs1 ZINC001492675614 1066811013 /nfs/dbraw/zinc/81/10/13/1066811013.db2.gz DREPOESMFNCLQD-XLIONFOSSA-N 0 0 472.486 4.859 20 0 JJADRN O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC001457331378 1066811417 /nfs/dbraw/zinc/81/14/17/1066811417.db2.gz ZABFYAYGAKSISH-LBPRGKRZSA-N 0 0 450.766 4.913 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546089488 1066811436 /nfs/dbraw/zinc/81/14/36/1066811436.db2.gz PVQRTMGPDDSLOW-QHCPKHFHSA-N 0 0 465.564 4.533 20 0 JJADRN COc1cc(NC(=O)CN(C)C(=O)c2cccc(F)c2Sc2ccccc2)cc(OC)c1 ZINC001457331542 1066811477 /nfs/dbraw/zinc/81/14/77/1066811477.db2.gz AAEPKQPLOVEACT-UHFFFAOYSA-N 0 0 454.523 4.705 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447461881 1066812005 /nfs/dbraw/zinc/81/20/05/1066812005.db2.gz MTNZUWMNDHWJIV-SFHVURJKSA-N 0 0 459.319 4.978 20 0 JJADRN C[C@](O)(CNC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460529 1066812112 /nfs/dbraw/zinc/81/21/12/1066812112.db2.gz ZGISECWSYHBVMH-RSXGOPAZSA-N 0 0 454.973 4.704 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001457333069 1066811967 /nfs/dbraw/zinc/81/19/67/1066811967.db2.gz AOXRWNXQXSZFDN-YOEHRIQHSA-N 0 0 456.391 4.570 20 0 JJADRN C[C@@](O)(CNC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460526 1066812133 /nfs/dbraw/zinc/81/21/33/1066812133.db2.gz ZGISECWSYHBVMH-AZGAKELHSA-N 0 0 454.973 4.704 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3OC)n2CC2(CCOC)CCCCC2)CCO1 ZINC001546089517 1066812395 /nfs/dbraw/zinc/81/23/95/1066812395.db2.gz QRGLGXIRACQFBU-RUZDIDTESA-N 0 0 456.631 4.946 20 0 JJADRN CCn1c(SCC(=O)NCC2(c3ccccc3OC)CCC2)nnc1-c1ccccc1C ZINC001447473408 1066812910 /nfs/dbraw/zinc/81/29/10/1066812910.db2.gz AFJULMRDGWAZAI-UHFFFAOYSA-N 0 0 450.608 4.612 20 0 JJADRN O=C(c1ccc(C(F)(F)F)c(=O)[nH]1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447466438 1066812953 /nfs/dbraw/zinc/81/29/53/1066812953.db2.gz VMFUNPPACNNLAU-INIZCTEOSA-N 0 0 450.392 4.753 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CCC1 ZINC001447477018 1066813452 /nfs/dbraw/zinc/81/34/52/1066813452.db2.gz JQUHDCHKEHMMNV-HHHXNRCGSA-N 0 0 458.602 4.770 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC2(OC)CCCC2)CCO1 ZINC001546089541 1066813454 /nfs/dbraw/zinc/81/34/54/1066813454.db2.gz QXQXCEBYJHPFEJ-NRFANRHFSA-N 0 0 463.420 4.672 20 0 JJADRN C[C@H](NC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC001457348024 1066814130 /nfs/dbraw/zinc/81/41/30/1066814130.db2.gz JMUDLWITHJMHEH-OALUTQOASA-N 0 0 453.583 4.636 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)N1CCO[C@@H](CCc3ccccc3)C1)N2C(=O)OC(C)(C)C ZINC001447482454 1066814140 /nfs/dbraw/zinc/81/41/40/1066814140.db2.gz JPHMUKVYIRRAAD-XUZZJYLKSA-N 0 0 450.579 4.521 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[C@@H]2CCO[C@H](C)C2)cs1 ZINC001492676819 1066814401 /nfs/dbraw/zinc/81/44/01/1066814401.db2.gz PBQSXGAMSNZZPQ-OIISXLGYSA-N 0 0 457.566 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC4(CCCC4)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cs1 ZINC001492676732 1066814410 /nfs/dbraw/zinc/81/44/10/1066814410.db2.gz NHGBTBQPKPHMBX-FQEVSTJZSA-N 0 0 488.702 4.954 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC001447488030 1066814665 /nfs/dbraw/zinc/81/46/65/1066814665.db2.gz RVONNJPZEUSULU-QFIPXVFZSA-N 0 0 450.514 4.942 20 0 JJADRN CCCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001447491696 1066815427 /nfs/dbraw/zinc/81/54/27/1066815427.db2.gz XYPLTTKHWBVDJE-UHFFFAOYSA-N 0 0 453.402 4.695 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cccc(Br)c3F)C[C@H]1CCCC2 ZINC001457355481 1066815376 /nfs/dbraw/zinc/81/53/76/1066815376.db2.gz BOCDCOKSWGHDNW-SPLOXXLWSA-N 0 0 455.368 4.745 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCc2ccc(F)c(F)c2F)cs1 ZINC001492677022 1066815588 /nfs/dbraw/zinc/81/55/88/1066815588.db2.gz UFDDSYSUMGHQIG-CQSZACIVSA-N 0 0 471.499 4.775 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4c(F)ccc(F)c4C3)n2CCSCC(C)C)cs1 ZINC001492677163 1066815874 /nfs/dbraw/zinc/81/58/74/1066815874.db2.gz XNEQHMAWQFDXCY-UHFFFAOYSA-N 0 0 463.623 4.864 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)OC ZINC001545996837 1066815828 /nfs/dbraw/zinc/81/58/28/1066815828.db2.gz FGQTXOOWVQCQSJ-FQEVSTJZSA-N 0 0 476.547 4.659 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1)C1CCCCCC1 ZINC001447502725 1066815943 /nfs/dbraw/zinc/81/59/43/1066815943.db2.gz LNGZNOBQGXQDLA-UZLBHIALSA-N 0 0 450.421 4.598 20 0 JJADRN CN(C(=O)Cc1c(Br)cnn1C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001457358763 1066815903 /nfs/dbraw/zinc/81/59/03/1066815903.db2.gz MVSIKFQZPHZEAS-HXUWFJFHSA-N 0 0 450.739 4.766 20 0 JJADRN CN(CC[C@H]1CCCCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)OC(C)(C)C ZINC001457360446 1066816599 /nfs/dbraw/zinc/81/65/99/1066816599.db2.gz JELMOTVEQKNXHA-HXUWFJFHSA-N 0 0 453.587 4.601 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457361642 1066816644 /nfs/dbraw/zinc/81/66/44/1066816644.db2.gz KGXKEZKFIHZSFM-UUOWRZLLSA-N 0 0 451.007 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677765 1066817070 /nfs/dbraw/zinc/81/70/70/1066817070.db2.gz MJSPIUPNLMKEEM-UGKGYDQZSA-N 0 0 479.572 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C)n2Cc2ccccc2OCC(F)(F)F)cs1 ZINC001492677877 1066817125 /nfs/dbraw/zinc/81/71/25/1066817125.db2.gz NSAQDENFTLVGIE-CQSZACIVSA-N 0 0 451.518 4.612 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)no1 ZINC001457363637 1066817106 /nfs/dbraw/zinc/81/71/06/1066817106.db2.gz MYTISPHZFWNXOW-CRICUBBOSA-N 0 0 455.555 4.507 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@H]1CCCC2 ZINC001457364739 1066817123 /nfs/dbraw/zinc/81/71/23/1066817123.db2.gz PBQMHQRXIBQHOU-GAKIBJFNSA-N 0 0 452.636 4.534 20 0 JJADRN Cc1ccc(C(C)C)c(OCCC(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 ZINC001447510954 1066817230 /nfs/dbraw/zinc/81/72/30/1066817230.db2.gz GOSPIIRGYCNHNL-UHFFFAOYSA-N 0 0 458.400 4.965 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678007 1066817686 /nfs/dbraw/zinc/81/76/86/1066817686.db2.gz PXRBSBOXRZIBOC-DYESRHJHSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2=CCCCC2)cs1 ZINC001492678114 1066817747 /nfs/dbraw/zinc/81/77/47/1066817747.db2.gz GTWNHYHIZJNJNX-OAQYLSRUSA-N 0 0 486.686 4.970 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCc2cccc(F)c2)cs1 ZINC001492678230 1066817833 /nfs/dbraw/zinc/81/78/33/1066817833.db2.gz ICAGDDZXJGCXQT-LJQANCHMSA-N 0 0 483.535 4.563 20 0 JJADRN C/C=C/C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC ZINC001447521247 1066818002 /nfs/dbraw/zinc/81/80/02/1066818002.db2.gz LHZWCECOLKFFIN-JCOOBLOPSA-N 0 0 454.596 4.985 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(S(=O)(=O)Nc3ccccc3F)cc1)C2 ZINC001457370032 1066818308 /nfs/dbraw/zinc/81/83/08/1066818308.db2.gz DJCVFANESSXCMT-UHFFFAOYSA-N 0 0 452.551 4.948 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)c1ccc(OCC(F)(F)F)nc1)CC2 ZINC001457376315 1066818787 /nfs/dbraw/zinc/81/87/87/1066818787.db2.gz ZHJSDFHQBOGVKL-UHFFFAOYSA-N 0 0 451.445 4.568 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(S(=O)(=O)NCc3cccs3)cc1)C2 ZINC001457375592 1066818867 /nfs/dbraw/zinc/81/88/67/1066818867.db2.gz SZXBVLLVUFGSTN-UHFFFAOYSA-N 0 0 454.617 4.549 20 0 JJADRN Cc1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cnc1NCc1ccc(Cl)cc1 ZINC001457377767 1066818874 /nfs/dbraw/zinc/81/88/74/1066818874.db2.gz RIRDKGAZFODGBH-UHFFFAOYSA-N 0 0 454.933 4.884 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492678822 1066819498 /nfs/dbraw/zinc/81/94/98/1066819498.db2.gz OTIJBLPDMZSCIH-SESVDKBCSA-N 0 0 488.702 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCOc2ccccc2)cs1 ZINC001492678688 1066819531 /nfs/dbraw/zinc/81/95/31/1066819531.db2.gz MLQDAHWJYOUENO-JOCHJYFZSA-N 0 0 469.655 4.887 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545997080 1066819710 /nfs/dbraw/zinc/81/97/10/1066819710.db2.gz JIRNTOXASYLELY-FCEUIQTBSA-N 0 0 453.631 4.859 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457382860 1066820074 /nfs/dbraw/zinc/82/00/74/1066820074.db2.gz RTCSAPGBPZECPX-XMMPIXPASA-N 0 0 459.933 4.552 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)Oc1ccccc1F ZINC001457389216 1066820680 /nfs/dbraw/zinc/82/06/80/1066820680.db2.gz YXEXTFZNNMSXTN-BHIFYINESA-N 0 0 470.585 4.825 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)OCc1cc(F)cc(Br)c1 ZINC001457391036 1066820819 /nfs/dbraw/zinc/82/08/19/1066820819.db2.gz WAUMNLRXLBXPBW-ZDUSSCGKSA-N 0 0 457.093 4.520 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC2CCC(F)(F)CC2)cs1 ZINC001492679304 1066821181 /nfs/dbraw/zinc/82/11/81/1066821181.db2.gz ZCNGQTIMVVHLIA-GOSISDBHSA-N 0 0 494.656 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492679157 1066821188 /nfs/dbraw/zinc/82/11/88/1066821188.db2.gz WDZMZQXFZTUPLP-SFHVURJKSA-N 0 0 480.560 4.641 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)cs1 ZINC001492679201 1066821296 /nfs/dbraw/zinc/82/12/96/1066821296.db2.gz WTQCSSYZHWBJIR-IERDGZPVSA-N 0 0 474.625 4.841 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCC(OCC2CCCC2)CC1 ZINC001457392475 1066821328 /nfs/dbraw/zinc/82/13/28/1066821328.db2.gz WZJACTGDJDJFSU-UHFFFAOYSA-N 0 0 456.896 4.751 20 0 JJADRN C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)NN1CCCC1=O ZINC001546090589 1066822039 /nfs/dbraw/zinc/82/20/39/1066822039.db2.gz XXRPQEHGUBNXER-FXBPSFAMSA-N 0 0 456.542 4.902 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCN(c4ccccc4)CC3)n2CCCC(F)(F)F)cs1 ZINC001492680060 1066822402 /nfs/dbraw/zinc/82/24/02/1066822402.db2.gz YVGCSTKSWVBKCJ-UHFFFAOYSA-N 0 0 464.561 4.693 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(c4ccccc4F)C[C@H]3C)n2CCCC(C)C)cs1 ZINC001492680269 1066822546 /nfs/dbraw/zinc/82/25/46/1066822546.db2.gz GSGJSIVRLHGUPP-GOSISDBHSA-N 0 0 456.635 4.924 20 0 JJADRN CC(C)n1ncc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c1I ZINC001457399432 1066822463 /nfs/dbraw/zinc/82/24/63/1066822463.db2.gz NQFPMZCOWQDGSJ-FQEVSTJZSA-N 0 0 451.352 4.554 20 0 JJADRN CC[C@@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)Oc1ccccc1Cl ZINC001457399427 1066822492 /nfs/dbraw/zinc/82/24/92/1066822492.db2.gz NOQCWPHZZUDMRO-SFHVURJKSA-N 0 0 450.000 4.790 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCC(C)(C)C2CC2)cs1 ZINC001492680677 1066823021 /nfs/dbraw/zinc/82/30/21/1066823021.db2.gz VVYLCJNBXREGFN-KRWDZBQOSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1cn2c(n1)C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC001447568637 1066823160 /nfs/dbraw/zinc/82/31/60/1066823160.db2.gz ABWOLDQAIVEOHK-KNQAVFIVSA-N 0 0 457.496 4.535 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC001457407375 1066823671 /nfs/dbraw/zinc/82/36/71/1066823671.db2.gz IZWCFGRUPJFHRT-UHFFFAOYSA-N 0 0 453.008 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)Cc3ccc(Br)cc3Cl)CC2)C1 ZINC001457404969 1066823690 /nfs/dbraw/zinc/82/36/90/1066823690.db2.gz FNBGVIUBYQSBND-AWEZNQCLSA-N 0 0 457.796 4.551 20 0 JJADRN CCOC(OCC)[C@H](C)NC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001457406526 1066823744 /nfs/dbraw/zinc/82/37/44/1066823744.db2.gz AYNRHZADYCEWCK-AWEZNQCLSA-N 0 0 450.366 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCc2cccc(F)c2)cs1 ZINC001492681724 1066824086 /nfs/dbraw/zinc/82/40/86/1066824086.db2.gz FMFMWEGFJKBJPU-NRFANRHFSA-N 0 0 457.619 4.657 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2cccc(F)c2F)cs1 ZINC001492681802 1066824102 /nfs/dbraw/zinc/82/41/02/1066824102.db2.gz HPIKGNZCJGYJRB-DEOSSOPVSA-N 0 0 475.609 4.796 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC001447575419 1066824198 /nfs/dbraw/zinc/82/41/98/1066824198.db2.gz RBQMOVRVWWOEIH-AWEZNQCLSA-N 0 0 451.926 4.996 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2cccc(F)c2F)cs1 ZINC001492681803 1066824168 /nfs/dbraw/zinc/82/41/68/1066824168.db2.gz HPIKGNZCJGYJRB-XMMPIXPASA-N 0 0 475.609 4.796 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCOC2CCCCCC2)cs1 ZINC001492681867 1066824177 /nfs/dbraw/zinc/82/41/77/1066824177.db2.gz JLCHEWVNFKYUMO-OAQYLSRUSA-N 0 0 461.676 4.625 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCc2csc(C(C)(C)C)n2)cs1 ZINC001492681735 1066824237 /nfs/dbraw/zinc/82/42/37/1066824237.db2.gz FRHWUCOKXGPTEC-LJQANCHMSA-N 0 0 488.727 4.882 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001447575287 1066824350 /nfs/dbraw/zinc/82/43/50/1066824350.db2.gz QNPGLYGZNDZQSF-CEXWTWQISA-N 0 0 451.405 4.801 20 0 JJADRN CCc1c(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001457411855 1066824805 /nfs/dbraw/zinc/82/48/05/1066824805.db2.gz GRPYTVBGDDISLZ-OAQYLSRUSA-N 0 0 451.876 4.576 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492682268 1066824787 /nfs/dbraw/zinc/82/47/87/1066824787.db2.gz SWLNEKFSOLONIF-LJQANCHMSA-N 0 0 479.572 4.952 20 0 JJADRN O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457413242 1066825343 /nfs/dbraw/zinc/82/53/43/1066825343.db2.gz JCEPMZLZZSJZNL-KRWDZBQOSA-N 0 0 456.675 4.982 20 0 JJADRN O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457413296 1066825372 /nfs/dbraw/zinc/82/53/72/1066825372.db2.gz JCEPMZLZZSJZNL-QGZVFWFLSA-N 0 0 456.675 4.982 20 0 JJADRN Cc1nc(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCO[C@H](C)c2ccccc2)cs1 ZINC001492682880 1066825355 /nfs/dbraw/zinc/82/53/55/1066825355.db2.gz JPPVBVNQMVCFES-MOPGFXCFSA-N 0 0 469.655 4.805 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@H]3CN(c4ccc(F)cc4)C3=O)CCCCC2)c(Br)c1 ZINC001447580346 1066825453 /nfs/dbraw/zinc/82/54/53/1066825453.db2.gz QGNRHQLHCNNVDH-FQEVSTJZSA-N 0 0 459.359 4.630 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1-c1ccc(Br)cc1 ZINC001457415568 1066825861 /nfs/dbraw/zinc/82/58/61/1066825861.db2.gz CVJDXTWHIZCJHN-VVLHAWIVSA-N 0 0 475.387 4.635 20 0 JJADRN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[C@@H](COC)Cc1ccccc1 ZINC001457415278 1066825931 /nfs/dbraw/zinc/82/59/31/1066825931.db2.gz NAOMRPUZJJBQIW-MAUKXSAKSA-N 0 0 454.792 4.976 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(c4ccccc4)C3)n2CCCCOC(C)C)cs1 ZINC001492683358 1066825928 /nfs/dbraw/zinc/82/59/28/1066825928.db2.gz VZIZBXASKGBOIN-VWLOTQADSA-N 0 0 469.655 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccc(F)cc4F)C3)n2CCSCC(C)C)cs1 ZINC001492683498 1066826003 /nfs/dbraw/zinc/82/60/03/1066826003.db2.gz ZSRWJOAURPKQGN-NRFANRHFSA-N 0 0 493.649 4.879 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2CCSC(F)(F)F)cs1 ZINC001492683273 1066826084 /nfs/dbraw/zinc/82/60/84/1066826084.db2.gz UAKHSWFIBVCWRZ-QGZVFWFLSA-N 0 0 487.548 4.604 20 0 JJADRN C[C@@H]1OCC[C@@]1(C)NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447584110 1066826204 /nfs/dbraw/zinc/82/62/04/1066826204.db2.gz CIKYBTJPZLTDIJ-XRHLQHRESA-N 0 0 450.579 4.768 20 0 JJADRN Cc1c(F)c(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)ccc1Br ZINC001457417156 1066826583 /nfs/dbraw/zinc/82/65/83/1066826583.db2.gz QNPRWNHKSMATTE-MRXNPFEDSA-N 0 0 454.645 4.730 20 0 JJADRN O=C([C@@H](O)CCc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447592085 1066826680 /nfs/dbraw/zinc/82/66/80/1066826680.db2.gz ZSVCGMSMQVBUCM-ZEQRLZLVSA-N 0 0 457.492 4.761 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC001447589618 1066826767 /nfs/dbraw/zinc/82/67/67/1066826767.db2.gz WOUIOGWIOHYOQK-NRFANRHFSA-N 0 0 453.336 4.555 20 0 JJADRN Cc1nn(CC(=O)Nc2n[nH]c(C)c2-c2ccc(Br)cc2)cc1-c1ccccc1 ZINC001457416936 1066826814 /nfs/dbraw/zinc/82/68/14/1066826814.db2.gz KSPIYGHZLBUJCU-UHFFFAOYSA-N 0 0 450.340 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCOc2ccccc2C(C)C)cs1 ZINC001492683768 1066827272 /nfs/dbraw/zinc/82/72/72/1066827272.db2.gz IALSUASNIORNOC-QGZVFWFLSA-N 0 0 457.669 4.778 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC001457422485 1066827902 /nfs/dbraw/zinc/82/79/02/1066827902.db2.gz XJLOWEAEYBRQMD-UHFFFAOYSA-N 0 0 453.539 4.623 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001492684110 1066827944 /nfs/dbraw/zinc/82/79/44/1066827944.db2.gz RMEIIJAVJNZTDW-GUDVDZBRSA-N 0 0 471.696 4.817 20 0 JJADRN C[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)n1cc(Br)cn1 ZINC001447608732 1066827979 /nfs/dbraw/zinc/82/79/79/1066827979.db2.gz NZCIXZRBPXHUEI-YJBOKZPZSA-N 0 0 458.360 4.791 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492684111 1066828058 /nfs/dbraw/zinc/82/80/58/1066828058.db2.gz RMEIIJAVJNZTDW-IPMKNSEASA-N 0 0 471.696 4.817 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3csc(C(C)(C)C)n3)C2)no1 ZINC001492684462 1066828678 /nfs/dbraw/zinc/82/86/78/1066828678.db2.gz ABXAMFVGCDLANJ-SFHVURJKSA-N 0 0 471.675 4.624 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(Br)s4)n3CCC(C)C)C2)no1 ZINC001492685165 1066829069 /nfs/dbraw/zinc/82/90/69/1066829069.db2.gz CSUOJFLZKSQEEX-OAHLLOKOSA-N 0 0 479.448 4.966 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CCOc3ccccc3C(C)C)C2)no1 ZINC001492685151 1066829120 /nfs/dbraw/zinc/82/91/20/1066829120.db2.gz QDMZNCHMFLCQAI-NRFANRHFSA-N 0 0 466.630 4.830 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(F)c3)C2)no1 ZINC001492684903 1066829128 /nfs/dbraw/zinc/82/91/28/1066829128.db2.gz LTEZBNMHQYNVOQ-FQEVSTJZSA-N 0 0 454.594 4.789 20 0 JJADRN Cc1cc(C(=O)N2CCC(Oc3ccccc3I)CC2)ccc1Cl ZINC001457425003 1066829189 /nfs/dbraw/zinc/82/91/89/1066829189.db2.gz WBXRBRITRLIGTL-UHFFFAOYSA-N 0 0 455.723 4.937 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CCSCc3ccccc3)C2)no1 ZINC001492684901 1066829177 /nfs/dbraw/zinc/82/91/77/1066829177.db2.gz LQHQMBBVSHQYPD-NRFANRHFSA-N 0 0 454.644 4.561 20 0 JJADRN COC1CCC(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)CC1 ZINC001457424775 1066829293 /nfs/dbraw/zinc/82/92/93/1066829293.db2.gz CMKJQVXJZPQPES-GRERDSQWSA-N 0 0 458.599 4.601 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCCCO)C2)no1 ZINC001492685932 1066830418 /nfs/dbraw/zinc/83/04/18/1066830418.db2.gz ONRSDWRGFCJMMN-INIZCTEOSA-N 0 0 479.412 4.565 20 0 JJADRN C[C@@H](Cc1cccs1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001457429755 1066830821 /nfs/dbraw/zinc/83/08/21/1066830821.db2.gz PHEWDGXBCOLOKW-SFHVURJKSA-N 0 0 454.617 4.593 20 0 JJADRN CCC1(CNC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC001457432887 1066831296 /nfs/dbraw/zinc/83/12/96/1066831296.db2.gz FUFRTLHUBGFENI-FQEVSTJZSA-N 0 0 458.624 4.592 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cc(F)c(F)cc2I)c1-c1ccc(C)cc1 ZINC001457431639 1066831318 /nfs/dbraw/zinc/83/13/18/1066831318.db2.gz VNHHTSQKNPWIGJ-UHFFFAOYSA-N 0 0 453.230 4.829 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@H]2C)cs1 ZINC001492686439 1066831566 /nfs/dbraw/zinc/83/15/66/1066831566.db2.gz BBRBGLWKGCPVMN-JKSUJKDBSA-N 0 0 459.591 4.569 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@H]2C)cs1 ZINC001492686438 1066831587 /nfs/dbraw/zinc/83/15/87/1066831587.db2.gz BBRBGLWKGCPVMN-HZPDHXFCSA-N 0 0 459.591 4.569 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC001457436251 1066831760 /nfs/dbraw/zinc/83/17/60/1066831760.db2.gz MEAWOKJGIWDXJP-ZDUSSCGKSA-N 0 0 453.341 4.871 20 0 JJADRN CC[C@H](NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)c1noc(C)n1 ZINC001457439630 1066831823 /nfs/dbraw/zinc/83/18/23/1066831823.db2.gz MKLIIIPHBXBIFR-INIZCTEOSA-N 0 0 457.556 4.653 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC001492686970 1066831904 /nfs/dbraw/zinc/83/19/04/1066831904.db2.gz PYVBZPTXAKVXCQ-MPGHIAIKSA-N 0 0 472.037 4.840 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)c(=O)[nH]c21 ZINC001447631039 1066832060 /nfs/dbraw/zinc/83/20/60/1066832060.db2.gz HNQANFLHKVPRPE-FLIBITNWSA-N 0 0 451.546 4.867 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(Oc3ccccc3)nc2)ccn1 ZINC001457441515 1066832485 /nfs/dbraw/zinc/83/24/85/1066832485.db2.gz RBKOLAAZXHQWBZ-UHFFFAOYSA-N 0 0 454.486 4.982 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCS[C@@H](C)C2)cs1 ZINC001492687151 1066832511 /nfs/dbraw/zinc/83/25/11/1066832511.db2.gz UCVRSONCIYIXCI-FUHWJXTLSA-N 0 0 457.669 4.984 20 0 JJADRN Cc1nn(C)cc1CNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001447631535 1066832662 /nfs/dbraw/zinc/83/26/62/1066832662.db2.gz ULGDCULHCRFUPJ-PIPMEXSNSA-N 0 0 457.640 4.755 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(C)n1C[C@@H]1CCCOC1 ZINC001447632505 1066832711 /nfs/dbraw/zinc/83/27/11/1066832711.db2.gz MJRVQLQCNOUSQD-AVRDEDQJSA-N 0 0 450.501 4.764 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cc(Cl)ccn2)n[nH]1 ZINC001492687391 1066832675 /nfs/dbraw/zinc/83/26/75/1066832675.db2.gz HGHTUJCRRASBEA-UHFFFAOYSA-N 0 0 477.787 4.606 20 0 JJADRN CCN(CC)C(=O)CCC1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC001447633175 1066832931 /nfs/dbraw/zinc/83/29/31/1066832931.db2.gz NKYXHNFTLXOEJA-UHFFFAOYSA-N 0 0 459.681 4.829 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)n[nH]1 ZINC001492687433 1066833005 /nfs/dbraw/zinc/83/30/05/1066833005.db2.gz XMKVGCLQTSOUQA-CYBMUJFWSA-N 0 0 475.981 4.578 20 0 JJADRN Cc1nc(CCn2c(-c3sc4ccccc4c3Cl)nnc2N(C)CC(=O)NC(C)C)cs1 ZINC001492687506 1066833050 /nfs/dbraw/zinc/83/30/50/1066833050.db2.gz YYDGKUFHRLXYQB-UHFFFAOYSA-N 0 0 489.070 4.782 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(CC)[C@H]3c3cccc(C)c3)c(Cl)c2)n1 ZINC001447634451 1066833081 /nfs/dbraw/zinc/83/30/81/1066833081.db2.gz OMITUFMWSWGQRJ-VGSWGCGISA-N 0 0 452.942 4.809 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)c3c(Br)nc4n3CCCC4)c(Cl)c2)n1 ZINC001447636863 1066833671 /nfs/dbraw/zinc/83/36/71/1066833671.db2.gz UVSATIHEKVDVGI-UHFFFAOYSA-N 0 0 450.724 4.500 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1(C)C ZINC001457454781 1066833684 /nfs/dbraw/zinc/83/36/84/1066833684.db2.gz SOKOBKSEGXFIFE-ZWKOTPCHSA-N 0 0 450.505 4.877 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCC(C)=C(C)C1)NC(=O)OC(C)(C)C ZINC001545998954 1066833780 /nfs/dbraw/zinc/83/37/80/1066833780.db2.gz FMMWLPVWIFSNSA-NRFANRHFSA-N 0 0 469.630 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001447635147 1066833838 /nfs/dbraw/zinc/83/38/38/1066833838.db2.gz SXCISTTZSRLUQB-LJQANCHMSA-N 0 0 454.489 4.563 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N(C)[C@@H]2CCOC2)cs1 ZINC001492687725 1066833745 /nfs/dbraw/zinc/83/37/45/1066833745.db2.gz OCFLKBSAFWXLBM-OAHLLOKOSA-N 0 0 482.835 4.594 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC001457457366 1066834094 /nfs/dbraw/zinc/83/40/94/1066834094.db2.gz LZTGWOUPTSBPAR-UHFFFAOYSA-N 0 0 450.539 4.932 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457456029 1066834096 /nfs/dbraw/zinc/83/40/96/1066834096.db2.gz DBDSTNYVXXDKEY-NRFANRHFSA-N 0 0 453.880 4.764 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(Cl)=C(Cl)C2)n[nH]1 ZINC001492687841 1066834338 /nfs/dbraw/zinc/83/43/38/1066834338.db2.gz RWBBEVAPQSHZBW-UHFFFAOYSA-N 0 0 473.195 4.820 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC001457458831 1066834758 /nfs/dbraw/zinc/83/47/58/1066834758.db2.gz BFTTUDXWYQZQDY-QGZVFWFLSA-N 0 0 455.049 4.627 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)Cn2c(C)c(Br)c3ccccc32)c2ccccc2)n1 ZINC001447648203 1066834869 /nfs/dbraw/zinc/83/48/69/1066834869.db2.gz GKMPEWRQBVCVPV-GOSISDBHSA-N 0 0 453.340 4.504 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)cs1 ZINC001492688535 1066834997 /nfs/dbraw/zinc/83/49/97/1066834997.db2.gz FICFPHWNORJUPU-IBGZPJMESA-N 0 0 486.642 4.630 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc(CN4CCCCCC4)cs3)n[nH]2)c1C ZINC001457459639 1066835222 /nfs/dbraw/zinc/83/52/22/1066835222.db2.gz KHVAWXLYZXNDBJ-HNNXBMFYSA-N 0 0 455.632 4.946 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 ZINC001457460445 1066835242 /nfs/dbraw/zinc/83/52/42/1066835242.db2.gz JZZITJDQWNXTCF-UHFFFAOYSA-N 0 0 457.968 4.848 20 0 JJADRN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001457459980 1066835274 /nfs/dbraw/zinc/83/52/74/1066835274.db2.gz MQYVZELZILGMQO-UHFFFAOYSA-N 0 0 451.383 4.659 20 0 JJADRN O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N(CCO)Cc1cc(Br)cs1 ZINC001447650562 1066835478 /nfs/dbraw/zinc/83/54/78/1066835478.db2.gz KLUKVULRAFLDRU-UHFFFAOYSA-N 0 0 456.365 4.689 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)CCc2ccc(Br)cc2)cs1 ZINC001492690613 1066836215 /nfs/dbraw/zinc/83/62/15/1066836215.db2.gz SUCHIBYYGGLSCQ-UHFFFAOYSA-N 0 0 497.466 4.713 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)s1 ZINC001457463453 1066836363 /nfs/dbraw/zinc/83/63/63/1066836363.db2.gz QXBRKRADKQBPJH-SWLSCSKDSA-N 0 0 454.390 4.657 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)c1 ZINC001457463420 1066836409 /nfs/dbraw/zinc/83/64/09/1066836409.db2.gz DPPVURSHLZEMMC-UHFFFAOYSA-N 0 0 450.604 4.853 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnn(C)c2)cs1 ZINC001492691324 1066836846 /nfs/dbraw/zinc/83/68/46/1066836846.db2.gz FNEGXKYZHRLRDS-UHFFFAOYSA-N 0 0 492.436 4.541 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(C)(C)C)C2)n[nH]1 ZINC001492691574 1066836919 /nfs/dbraw/zinc/83/69/19/1066836919.db2.gz KREMFCWVAZWQRV-OAHLLOKOSA-N 0 0 478.428 4.706 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001447655919 1066837284 /nfs/dbraw/zinc/83/72/84/1066837284.db2.gz LUOZQONZXIFGNH-ZDUSSCGKSA-N 0 0 455.274 4.530 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@@H](C)c3ccc(F)cc3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001492691918 1066837426 /nfs/dbraw/zinc/83/74/26/1066837426.db2.gz PEEFYYIWVDTOCY-BXKMTCNYSA-N 0 0 473.618 4.663 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C2CCC(C)CC2)n[nH]1 ZINC001492692170 1066837435 /nfs/dbraw/zinc/83/74/35/1066837435.db2.gz VDDYEKBEAOMGBN-UHFFFAOYSA-N 0 0 478.428 4.848 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc(Br)c(Cl)c1F ZINC001457467985 1066837473 /nfs/dbraw/zinc/83/74/73/1066837473.db2.gz QHPPBDYFNSQDDN-UHFFFAOYSA-N 0 0 451.764 4.865 20 0 JJADRN C/C(=C/C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC001447659725 1066837878 /nfs/dbraw/zinc/83/78/78/1066837878.db2.gz DHJMEMLOSHEIER-DNXIFWLFSA-N 0 0 456.302 4.839 20 0 JJADRN COC(=O)[C@H](C)[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccccc1 ZINC001457470722 1066837917 /nfs/dbraw/zinc/83/79/17/1066837917.db2.gz LQMXAEVCDYOGJS-YJYMSZOUSA-N 0 0 459.365 4.853 20 0 JJADRN COC(=O)[C@H](C)[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001457469689 1066837954 /nfs/dbraw/zinc/83/79/54/1066837954.db2.gz KMAQIXLQMXDBSS-VGSWGCGISA-N 0 0 452.551 4.655 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cs1 ZINC001447657246 1066838021 /nfs/dbraw/zinc/83/80/21/1066838021.db2.gz QIQLJFLJWYUFAU-CPJSRVTESA-N 0 0 456.558 4.957 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(=O)c3ccc(F)cc3o2)c2cc(F)ccc2OC)c1 ZINC001457471451 1066838392 /nfs/dbraw/zinc/83/83/92/1066838392.db2.gz FWFFZKGHLBVXMI-DEOSSOPVSA-N 0 0 451.425 4.608 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)cc2)c1 ZINC001447661358 1066838435 /nfs/dbraw/zinc/83/84/35/1066838435.db2.gz GROCZECSWAJPQU-NHCUHLMSSA-N 0 0 460.521 4.596 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)C1(Cc2cccs2)CCCCC1 ZINC001447660097 1066838503 /nfs/dbraw/zinc/83/85/03/1066838503.db2.gz VOJMTJHWNZUUQY-SFHVURJKSA-N 0 0 450.442 4.971 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3[C@H]2C)C1 ZINC001457470908 1066838454 /nfs/dbraw/zinc/83/84/54/1066838454.db2.gz MIANMSYCHAACMV-MJGOQNOKSA-N 0 0 455.396 4.756 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3Cc3ccc(C(C)(F)F)cc3)CC2)cs1 ZINC001492693491 1066838853 /nfs/dbraw/zinc/83/88/53/1066838853.db2.gz ZVUSFAKEWPTKNN-UHFFFAOYSA-N 0 0 460.598 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(C(=O)/C=C\c3ccsc3)CC2)C1 ZINC001457473361 1066839191 /nfs/dbraw/zinc/83/91/91/1066839191.db2.gz PHNTVPDYINEKRZ-HJWRWDBZSA-N 0 0 454.592 4.952 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1nccn1-c1ccccc1)NC(=O)OC(C)(C)C ZINC001447665701 1066839783 /nfs/dbraw/zinc/83/97/83/1066839783.db2.gz YJCQGWAODNTJDV-HXUWFJFHSA-N 0 0 450.539 4.866 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545998857 1066839949 /nfs/dbraw/zinc/83/99/49/1066839949.db2.gz CKBRFPSTNKDNOX-XMSQKQJNSA-N 0 0 482.604 4.904 20 0 JJADRN Cc1nc2ccccc2n1CCCn1c(C(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492694332 1066839888 /nfs/dbraw/zinc/83/98/88/1066839888.db2.gz JNSYKOQMFACIIJ-UHFFFAOYSA-N 0 0 495.672 4.891 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545998838 1066839985 /nfs/dbraw/zinc/83/99/85/1066839985.db2.gz CCRKUBIWPYJGQJ-IBGZPJMESA-N 0 0 482.654 4.582 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[C@H]3c3cccc(Cl)c3)C2=O)c1 ZINC001457479471 1066840108 /nfs/dbraw/zinc/84/01/08/1066840108.db2.gz QUVQEHZRKNDXPC-YTFSRNRJSA-N 0 0 456.970 4.553 20 0 JJADRN COc1cccc([C@H](NC(=O)c2ccn(CCc3ccccc3)n2)c2cc(F)ccc2OC)c1 ZINC001457480144 1066840122 /nfs/dbraw/zinc/84/01/22/1066840122.db2.gz UAIKBJOCZNIJSD-SANMLTNESA-N 0 0 459.521 4.802 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1NCc1ccccc1 ZINC001447672551 1066840324 /nfs/dbraw/zinc/84/03/24/1066840324.db2.gz ZYVAYTGDNCGLNU-HXUWFJFHSA-N 0 0 453.380 4.642 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492694721 1066840475 /nfs/dbraw/zinc/84/04/75/1066840475.db2.gz LDBKMEYVSAAKRP-GOSISDBHSA-N 0 0 462.570 4.670 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(Cc4ccccc4)ccc3O)c2)n1 ZINC001447679768 1066840447 /nfs/dbraw/zinc/84/04/47/1066840447.db2.gz BFOMFYUFFNHFBK-UHFFFAOYSA-N 0 0 458.539 4.823 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc(Br)c1F ZINC001447680528 1066840464 /nfs/dbraw/zinc/84/04/64/1066840464.db2.gz LHKMOFFWIQJFCZ-SNVBAGLBSA-N 0 0 456.695 4.876 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c(I)c1 ZINC001447678255 1066840471 /nfs/dbraw/zinc/84/04/71/1066840471.db2.gz IWPPZQKUUZKRIS-UHFFFAOYSA-N 0 0 457.267 4.783 20 0 JJADRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457483532 1066840499 /nfs/dbraw/zinc/84/04/99/1066840499.db2.gz MQBDIVOYOGDCRD-RDJZCZTQSA-N 0 0 456.892 4.679 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2=O)c1 ZINC001457482454 1066840628 /nfs/dbraw/zinc/84/06/28/1066840628.db2.gz XEQVMJZOECXGJJ-SGNDLWITSA-N 0 0 450.579 4.535 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)s1 ZINC001447683585 1066840834 /nfs/dbraw/zinc/84/08/34/1066840834.db2.gz NVJSXZKFMBQUIP-UHFFFAOYSA-N 0 0 454.495 4.844 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)CCO2)cc1 ZINC001447683510 1066840852 /nfs/dbraw/zinc/84/08/52/1066840852.db2.gz AIESVIIOPQWLHU-QHCPKHFHSA-N 0 0 455.620 4.552 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC001447683328 1066840962 /nfs/dbraw/zinc/84/09/62/1066840962.db2.gz FSYKPYXJWOBNLM-QMHRWYJISA-N 0 0 456.671 4.624 20 0 JJADRN C[C@](O)(CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCCCC1 ZINC001447685609 1066841017 /nfs/dbraw/zinc/84/10/17/1066841017.db2.gz NPOFUSVFAGNVJJ-QHCPKHFHSA-N 0 0 459.384 4.763 20 0 JJADRN CCO[C@H](CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CCCC1 ZINC001457485363 1066841179 /nfs/dbraw/zinc/84/11/79/1066841179.db2.gz BCPPNIVEFFIFCD-WIYYLYMNSA-N 0 0 455.426 4.947 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3cc(Br)ccc3Br)CCO2)cc1 ZINC001447687215 1066841528 /nfs/dbraw/zinc/84/15/28/1066841528.db2.gz LDWBJGIEKUTSAT-SFHVURJKSA-N 0 0 453.174 4.988 20 0 JJADRN COC(=O)c1sc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)nc1C(C)(C)C ZINC001457490287 1066841804 /nfs/dbraw/zinc/84/18/04/1066841804.db2.gz SBBCDQKTOWDQQE-UHFFFAOYSA-N 0 0 459.568 4.777 20 0 JJADRN CCCc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cnn1-c1ccc(C)cc1 ZINC001447690382 1066842095 /nfs/dbraw/zinc/84/20/95/1066842095.db2.gz SUPUBZNCVJYADG-IBGZPJMESA-N 0 0 450.970 4.774 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2OCCC2(C)C)s1 ZINC001492695701 1066842096 /nfs/dbraw/zinc/84/20/96/1066842096.db2.gz LPQHWOYBWFMQAP-SFHVURJKSA-N 0 0 463.554 4.763 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[C@@](C)(O)c2ccccc2)s1 ZINC001492695410 1066842239 /nfs/dbraw/zinc/84/22/39/1066842239.db2.gz AMAXYPOYLJAHOG-HSZRJFAPSA-N 0 0 469.014 4.693 20 0 JJADRN CCCc1c(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cnn1-c1ccc(C)cc1 ZINC001447691187 1066842719 /nfs/dbraw/zinc/84/27/19/1066842719.db2.gz WJFONMWHSGOTEG-UHFFFAOYSA-N 0 0 455.518 4.738 20 0 JJADRN O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1occc1CN1C(=O)Cc2ccccc21 ZINC001447694498 1066843324 /nfs/dbraw/zinc/84/33/24/1066843324.db2.gz RYUDZLUXVXUSOV-HXUWFJFHSA-N 0 0 459.329 4.529 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CCO2)cc1 ZINC001447693443 1066843439 /nfs/dbraw/zinc/84/34/39/1066843439.db2.gz ZSAVEHZROUJWTH-DEOSSOPVSA-N 0 0 450.579 4.756 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457498414 1066843635 /nfs/dbraw/zinc/84/36/35/1066843635.db2.gz YISQNWLHERGJGX-AWEZNQCLSA-N 0 0 457.864 4.584 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001447694880 1066843899 /nfs/dbraw/zinc/84/38/99/1066843899.db2.gz TYSSHBFCHMYKGJ-LJQANCHMSA-N 0 0 450.391 4.820 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2Cc2ccco2)s1 ZINC001492695917 1066844108 /nfs/dbraw/zinc/84/41/08/1066844108.db2.gz PQYYQKCNENPITH-UHFFFAOYSA-N 0 0 462.348 4.889 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)nc2)s1 ZINC001492695886 1066844123 /nfs/dbraw/zinc/84/41/23/1066844123.db2.gz CMABPOPBQZLNDC-INIZCTEOSA-N 0 0 498.056 4.982 20 0 JJADRN C/C(=C\C(=O)NC[C@H](CO)Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001447699130 1066844532 /nfs/dbraw/zinc/84/45/32/1066844532.db2.gz SAHHXWWUETYZBS-YVGNARHYSA-N 0 0 456.302 4.839 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nccnc2C)s1 ZINC001492695953 1066844716 /nfs/dbraw/zinc/84/47/16/1066844716.db2.gz RKWZRUNKCCHCLE-UHFFFAOYSA-N 0 0 461.639 4.985 20 0 JJADRN Cc1cscc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 ZINC001492696065 1066845424 /nfs/dbraw/zinc/84/54/24/1066845424.db2.gz FYDOHHTXOCDFGR-UHFFFAOYSA-N 0 0 487.054 4.681 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001457505691 1066845596 /nfs/dbraw/zinc/84/55/96/1066845596.db2.gz NMAYZKYNACGEJS-BRWVUGGUSA-N 0 0 457.434 4.805 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(F)(F)F)s1 ZINC001492696396 1066846358 /nfs/dbraw/zinc/84/63/58/1066846358.db2.gz MBQOEORLRYEVLM-UHFFFAOYSA-N 0 0 486.951 4.605 20 0 JJADRN CCS[C@H]1CCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001457508180 1066846676 /nfs/dbraw/zinc/84/66/76/1066846676.db2.gz UMAFHTIQNSXXHU-UXHICEINSA-N 0 0 456.612 4.956 20 0 JJADRN C[C@@H](NC(=O)c1ccc2cncc(Br)c2n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457512110 1066847168 /nfs/dbraw/zinc/84/71/68/1066847168.db2.gz RBTPSSASHJRDNG-SNVBAGLBSA-N 0 0 458.703 4.587 20 0 JJADRN CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1cccc(OC)c1 ZINC001457512730 1066847199 /nfs/dbraw/zinc/84/71/99/1066847199.db2.gz FULBWHWFIMEMLB-SFHVURJKSA-N 0 0 455.780 4.630 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cn1 ZINC001447718647 1066847158 /nfs/dbraw/zinc/84/71/58/1066847158.db2.gz MYOSZCVHIGUQMS-UUOWRZLLSA-N 0 0 453.970 4.528 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001457513081 1066847231 /nfs/dbraw/zinc/84/72/31/1066847231.db2.gz HCSIMOYDBHGRQZ-UHFFFAOYSA-N 0 0 454.496 4.895 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001447723402 1066847758 /nfs/dbraw/zinc/84/77/58/1066847758.db2.gz KUXDMFIMRMHAGF-UHFFFAOYSA-N 0 0 455.889 4.962 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2Cc2c(C)noc2C)s1 ZINC001492696786 1066847607 /nfs/dbraw/zinc/84/76/07/1066847607.db2.gz XRVIKKYUHLDRBS-UHFFFAOYSA-N 0 0 473.400 4.762 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)CC2)cc(OC)c1 ZINC001457514175 1066847638 /nfs/dbraw/zinc/84/76/38/1066847638.db2.gz MNORYLNDHKZWBS-UIOOFZCWSA-N 0 0 450.623 4.958 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457514617 1066848375 /nfs/dbraw/zinc/84/83/75/1066848375.db2.gz WGGJVRYOCILMMC-SNVBAGLBSA-N 0 0 454.683 4.548 20 0 JJADRN CC(C)[C@@](C)(NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1ccc(Br)cc1 ZINC001447727716 1066848420 /nfs/dbraw/zinc/84/84/20/1066848420.db2.gz RYXUQBGZLIQCLP-RTXPOLOASA-N 0 0 465.432 4.940 20 0 JJADRN CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001457516857 1066848866 /nfs/dbraw/zinc/84/88/66/1066848866.db2.gz GKXSZCGHZXSWQJ-ACJLOTCBSA-N 0 0 458.552 4.802 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 ZINC001545999866 1066848846 /nfs/dbraw/zinc/84/88/46/1066848846.db2.gz VKTMDYNCTJWGTQ-VQTJNVASSA-N 0 0 472.559 4.531 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CCN1C(=O)OC(C)(C)C ZINC001447732225 1066848921 /nfs/dbraw/zinc/84/89/21/1066848921.db2.gz WKYOKUGDWQKMOM-CYBMUJFWSA-N 0 0 455.502 4.910 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CC(F)(F)Br)s1 ZINC001492697257 1066848982 /nfs/dbraw/zinc/84/89/82/1066848982.db2.gz NDPOGNRGIBYXJN-UHFFFAOYSA-N 0 0 481.370 4.826 20 0 JJADRN C[NH+](C)C1(CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])CCCCCC1 ZINC001457518014 1066849493 /nfs/dbraw/zinc/84/94/93/1066849493.db2.gz YFDSHHHSVUYINU-UHFFFAOYSA-N 0 0 459.805 4.923 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(Br)c(O)c2)cc1 ZINC001447735383 1066849521 /nfs/dbraw/zinc/84/95/21/1066849521.db2.gz LNQJZRXIGVGDAC-UHFFFAOYSA-N 0 0 451.324 4.817 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001447740239 1066850145 /nfs/dbraw/zinc/85/01/45/1066850145.db2.gz WXASMBJXAHGXFR-PGRDOPGGSA-N 0 0 459.411 4.532 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1-c1ccccc1 ZINC001447737244 1066850233 /nfs/dbraw/zinc/85/02/33/1066850233.db2.gz ZBUPMTAAVWLPSZ-RUZDIDTESA-N 0 0 451.526 4.742 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCC(=O)c3ccc(F)c(F)c3)C2)CC1 ZINC001447740421 1066850770 /nfs/dbraw/zinc/85/07/70/1066850770.db2.gz FCQDEFMEVFNJFY-UHFFFAOYSA-N 0 0 450.526 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(F)cc3F)C2)CC1 ZINC001447744899 1066851396 /nfs/dbraw/zinc/85/13/96/1066851396.db2.gz USNYEJFRYWBSKJ-UHFFFAOYSA-N 0 0 452.542 4.764 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1c(C)noc1C)NC(=O)OC(C)(C)C ZINC001546000060 1066852371 /nfs/dbraw/zinc/85/23/71/1066852371.db2.gz ZPEZQFGZMLAPOC-IBGZPJMESA-N 0 0 486.592 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCNc2nc3ccccc3s2)CC[C@@H]2CCCC[C@@H]21 ZINC001457529610 1066852992 /nfs/dbraw/zinc/85/29/92/1066852992.db2.gz IVPKBKAUSRWDRW-WDSOQIARSA-N 0 0 458.628 4.783 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001457531131 1066853081 /nfs/dbraw/zinc/85/30/81/1066853081.db2.gz STNOZGQYXHIVKU-OAHLLOKOSA-N 0 0 457.368 4.713 20 0 JJADRN CC[C@@H](c1nnc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)s1)c1ccccc1 ZINC001457533085 1066853543 /nfs/dbraw/zinc/85/35/43/1066853543.db2.gz SRLBZLRCVSYVJH-GOSISDBHSA-N 0 0 451.548 4.843 20 0 JJADRN CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457534348 1066853551 /nfs/dbraw/zinc/85/35/51/1066853551.db2.gz CHJNWYHBARTXDM-BJKOFHAPSA-N 0 0 450.604 4.737 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)s1 ZINC001492699031 1066853590 /nfs/dbraw/zinc/85/35/90/1066853590.db2.gz VECANCWYPQVAEN-NRFANRHFSA-N 0 0 493.580 4.782 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H](C)C2)s1 ZINC001492698976 1066853703 /nfs/dbraw/zinc/85/37/03/1066853703.db2.gz SPLZBTKIVLFJFN-ICSRJNTNSA-N 0 0 455.628 4.690 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1Cl ZINC001447754038 1066853670 /nfs/dbraw/zinc/85/36/70/1066853670.db2.gz KSRSBKURFVZXKM-UHFFFAOYSA-N 0 0 458.849 4.564 20 0 JJADRN Cc1nc2c(cccc2C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)o1 ZINC001457534043 1066853704 /nfs/dbraw/zinc/85/37/04/1066853704.db2.gz MBEVKMUGEYEFFN-UHFFFAOYSA-N 0 0 453.549 4.588 20 0 JJADRN O=C(CCC(=O)Nc1ccc(OC(F)(F)F)cc1O)Nc1nnc(C2CCCCC2)s1 ZINC001447755296 1066854316 /nfs/dbraw/zinc/85/43/16/1066854316.db2.gz PHVVDXMOVCRISJ-UHFFFAOYSA-N 0 0 458.462 4.547 20 0 JJADRN CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457534350 1066854431 /nfs/dbraw/zinc/85/44/31/1066854431.db2.gz CHJNWYHBARTXDM-DNQXCXABSA-N 0 0 450.604 4.737 20 0 JJADRN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c(=O)[nH]1 ZINC001447761606 1066854812 /nfs/dbraw/zinc/85/48/12/1066854812.db2.gz KJWRQLBHWFABFO-KRWDZBQOSA-N 0 0 457.328 4.700 20 0 JJADRN CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1C ZINC001447760275 1066854967 /nfs/dbraw/zinc/85/49/67/1066854967.db2.gz HZBHSADKZFTMIJ-IBGZPJMESA-N 0 0 454.324 4.987 20 0 JJADRN Cc1ccccc1C[C@H](CO)NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC001447770499 1066855611 /nfs/dbraw/zinc/85/56/11/1066855611.db2.gz XALPZUBHUZISAV-OAQYLSRUSA-N 0 0 454.364 4.670 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1 ZINC001447774469 1066855784 /nfs/dbraw/zinc/85/57/84/1066855784.db2.gz AZIDPAHJNSSELD-IERDGZPVSA-N 0 0 457.983 4.615 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492700267 1066856095 /nfs/dbraw/zinc/85/60/95/1066856095.db2.gz KFEOEJMKFPWISV-NEPJUHHUSA-N 0 0 482.448 4.990 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001447777990 1066856375 /nfs/dbraw/zinc/85/63/75/1066856375.db2.gz HHZCJVBSYMWXTF-YWZLYKJASA-N 0 0 457.983 4.601 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2ccco2)s1 ZINC001492700445 1066856654 /nfs/dbraw/zinc/85/66/54/1066856654.db2.gz MZVOQAMBQNVOPZ-UHFFFAOYSA-N 0 0 462.348 4.889 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCCNC(=O)C2CCC2)s1 ZINC001492700497 1066856795 /nfs/dbraw/zinc/85/67/95/1066856795.db2.gz OJIPJIZXXYHDPB-UHFFFAOYSA-N 0 0 493.464 4.808 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC001447788887 1066856940 /nfs/dbraw/zinc/85/69/40/1066856940.db2.gz BFPQMJPKVQTDBX-KRWDZBQOSA-N 0 0 452.420 4.941 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447788442 1066857162 /nfs/dbraw/zinc/85/71/62/1066857162.db2.gz YYWQPNHPXSSFEI-LLSQANQASA-N 0 0 451.375 4.785 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492700966 1066857425 /nfs/dbraw/zinc/85/74/25/1066857425.db2.gz VLJSUFVYEDMTNJ-UHFFFAOYSA-N 0 0 489.045 4.716 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC001447790235 1066857677 /nfs/dbraw/zinc/85/76/77/1066857677.db2.gz CVPAMSNDLXYKHP-MRXNPFEDSA-N 0 0 454.573 4.772 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CCOCC2CC2)s1 ZINC001492701189 1066857960 /nfs/dbraw/zinc/85/79/60/1066857960.db2.gz ZFPSZVAHEHTBMT-UHFFFAOYSA-N 0 0 480.407 4.523 20 0 JJADRN CC[C@@H](CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)Oc1cccc(Cl)c1 ZINC001457547196 1066857987 /nfs/dbraw/zinc/85/79/87/1066857987.db2.gz UBEQNJGNUPDSKG-NRFANRHFSA-N 0 0 457.979 4.901 20 0 JJADRN CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc(Br)cc21 ZINC001457550385 1066858382 /nfs/dbraw/zinc/85/83/82/1066858382.db2.gz XXPQNQLKVSENGL-GOSISDBHSA-N 0 0 455.396 4.902 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCC(C)(NC(=O)OC(C)(C)C)CC3)[nH]c21 ZINC001447792129 1066858476 /nfs/dbraw/zinc/85/84/76/1066858476.db2.gz DZGZQMHIGCFFOG-UHFFFAOYSA-N 0 0 450.377 4.758 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCO[C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC001492701716 1066858662 /nfs/dbraw/zinc/85/86/62/1066858662.db2.gz CZGHEPWTKCUFDT-SIKLNZKXSA-N 0 0 474.719 4.549 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)c1c[nH]c(=S)[nH]1 ZINC001457552547 1066859257 /nfs/dbraw/zinc/85/92/57/1066859257.db2.gz FKNQPDWSTYJDKC-MRXNPFEDSA-N 0 0 453.420 4.596 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)cc1 ZINC001457552568 1066859323 /nfs/dbraw/zinc/85/93/23/1066859323.db2.gz FPGLNAIUBSXSNE-MRXNPFEDSA-N 0 0 459.384 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC001457550462 1066859327 /nfs/dbraw/zinc/85/93/27/1066859327.db2.gz CINPVPPRKXSNEW-MPGHIAIKSA-N 0 0 459.978 4.879 20 0 JJADRN Cc1ncc(Cn2c(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)nnc2C(C)(C)C)s1 ZINC001492701788 1066859324 /nfs/dbraw/zinc/85/93/24/1066859324.db2.gz GVVDZZGJLCYPQJ-UHFFFAOYSA-N 0 0 464.561 4.734 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCc3c(C)cccc3C)CC2)s1 ZINC001492702144 1066859833 /nfs/dbraw/zinc/85/98/33/1066859833.db2.gz TVFCCIUXLIOCDG-UHFFFAOYSA-N 0 0 466.699 4.813 20 0 JJADRN CNc1cc(Cl)ccc1C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC001447798835 1066860241 /nfs/dbraw/zinc/86/02/41/1066860241.db2.gz AKLPGHBCWGVYNA-UHFFFAOYSA-N 0 0 455.780 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC001457555518 1066860562 /nfs/dbraw/zinc/86/05/62/1066860562.db2.gz JNLXKVIXXQNXOA-UHFFFAOYSA-N 0 0 453.930 4.671 20 0 JJADRN COc1cc(CCC(=O)NCCN2c3ccccc3CC[C@@H]2C)ccc1OCC(F)(F)F ZINC001457557192 1066860795 /nfs/dbraw/zinc/86/07/95/1066860795.db2.gz PTSUDNSXPJCTDJ-KRWDZBQOSA-N 0 0 450.501 4.526 20 0 JJADRN Cc1ncc(Cn2c(CC3CCCC3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001492703007 1066861221 /nfs/dbraw/zinc/86/12/21/1066861221.db2.gz ZPRXDSZIRLQSNW-KRWDZBQOSA-N 0 0 488.702 4.954 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492702989 1066861232 /nfs/dbraw/zinc/86/12/32/1066861232.db2.gz ZAQPLTSCKSJCNW-UHFFFAOYSA-N 0 0 461.016 4.725 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001447801209 1066861559 /nfs/dbraw/zinc/86/15/59/1066861559.db2.gz HOYPMDDDEIEAHK-QGZVFWFLSA-N 0 0 452.776 4.551 20 0 JJADRN Cc1nccc(N2CCN(c3nnc(-c4ccccc4Br)n3CCCC(C)(C)C)CC2)n1 ZINC001492703585 1066861637 /nfs/dbraw/zinc/86/16/37/1066861637.db2.gz VIBDYCDERGAPNV-UHFFFAOYSA-N 0 0 498.473 4.959 20 0 JJADRN Cc1nccc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCCC(C)(C)C)CC2)n1 ZINC001492703718 1066861670 /nfs/dbraw/zinc/86/16/70/1066861670.db2.gz XPWPJQXBEFPHHT-UHFFFAOYSA-N 0 0 498.473 4.959 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCC(C)C)CC2)s1 ZINC001492703397 1066861748 /nfs/dbraw/zinc/86/17/48/1066861748.db2.gz OQRSXNJUOVKCSS-UHFFFAOYSA-N 0 0 474.625 4.670 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3CCOc3ccccc3C(C)C)CC2)s1 ZINC001492703039 1066861799 /nfs/dbraw/zinc/86/17/99/1066861799.db2.gz AOMHCFWCAZCAGT-UHFFFAOYSA-N 0 0 482.698 4.766 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)CC2)s1 ZINC001492703393 1066861891 /nfs/dbraw/zinc/86/18/91/1066861891.db2.gz OIWVJBWWRPKNMY-UHFFFAOYSA-N 0 0 474.625 4.586 20 0 JJADRN Cc1nccc(N2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CC2)n1 ZINC001492703399 1066861939 /nfs/dbraw/zinc/86/19/39/1066861939.db2.gz OUCBAEUQASCVFE-IBGZPJMESA-N 0 0 481.620 4.809 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F)O[C@@H](C)C2 ZINC001457563224 1066862115 /nfs/dbraw/zinc/86/21/15/1066862115.db2.gz IPQWIVNGNJMNCG-ZPIXSFHDSA-N 0 0 452.473 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC001447802625 1066862380 /nfs/dbraw/zinc/86/23/80/1066862380.db2.gz ODGYNPQXMSLGDO-VGSWGCGISA-N 0 0 456.505 4.588 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)CCCc2ccccn2)cc1F ZINC001492704112 1066862366 /nfs/dbraw/zinc/86/23/66/1066862366.db2.gz QGXCJPSYPFDUCY-UHFFFAOYSA-N 0 0 461.589 4.622 20 0 JJADRN COc1cccc2c(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4F)c3)coc21 ZINC001457563940 1066862804 /nfs/dbraw/zinc/86/28/04/1066862804.db2.gz CARYCXGSDXCUPM-UHFFFAOYSA-N 0 0 454.479 4.942 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 ZINC001492704487 1066863359 /nfs/dbraw/zinc/86/33/59/1066863359.db2.gz FFMUUKISVTVHHY-NRFANRHFSA-N 0 0 497.644 4.607 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(Cc3cccnc3)nnc2N(CC(C)C)C(C)C)cc1F ZINC001492704364 1066863379 /nfs/dbraw/zinc/86/33/79/1066863379.db2.gz ZYFRHSPCPVNMBQ-UHFFFAOYSA-N 0 0 461.589 4.816 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N(Cc1ccccc1Br)CC(C)C ZINC001457564912 1066863408 /nfs/dbraw/zinc/86/34/08/1066863408.db2.gz FNENAFNWLUYZMY-UHFFFAOYSA-N 0 0 455.400 4.874 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001457566361 1066864032 /nfs/dbraw/zinc/86/40/32/1066864032.db2.gz KBOUARWXBYJSED-HXUWFJFHSA-N 0 0 459.468 4.574 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704816 1066863996 /nfs/dbraw/zinc/86/39/96/1066863996.db2.gz NUXJRRXCIZVBMX-DENIHFKCSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 ZINC001492704776 1066864130 /nfs/dbraw/zinc/86/41/30/1066864130.db2.gz MXQOLVUZRMKQEC-UHFFFAOYSA-N 0 0 456.019 4.719 20 0 JJADRN CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c2)CC1 ZINC001447813200 1066865085 /nfs/dbraw/zinc/86/50/85/1066865085.db2.gz YNOMZWLYYDKOAR-NRFANRHFSA-N 0 0 453.652 4.816 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1nccs1 ZINC001492705316 1066865039 /nfs/dbraw/zinc/86/50/39/1066865039.db2.gz BRYKOAOZMYBSLS-UHFFFAOYSA-N 0 0 486.443 4.786 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001457568598 1066865378 /nfs/dbraw/zinc/86/53/78/1066865378.db2.gz VANFXCQGRAMTBX-SFHVURJKSA-N 0 0 453.583 4.684 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(C)(C)C)cn1 ZINC001492705514 1066865563 /nfs/dbraw/zinc/86/55/63/1066865563.db2.gz IFDOYRGAIREUBF-IFMALSPDSA-N 0 0 465.646 4.616 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)/C=C\COC3CCOCC3)cc2Cl)n1 ZINC001447817545 1066865703 /nfs/dbraw/zinc/86/57/03/1066865703.db2.gz YLLJVEQWAPDJDR-PLNGDYQASA-N 0 0 451.976 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC001457570472 1066866591 /nfs/dbraw/zinc/86/65/91/1066866591.db2.gz BCDXKUBYQCBJJR-CYBMUJFWSA-N 0 0 458.784 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC001457570478 1066866641 /nfs/dbraw/zinc/86/66/41/1066866641.db2.gz BCDXKUBYQCBJJR-ZDUSSCGKSA-N 0 0 458.784 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cnn(-c3ccccc3F)c2)(c2ccccc2)C1 ZINC001457570763 1066866669 /nfs/dbraw/zinc/86/66/69/1066866669.db2.gz HQUQKAQLJZCRPO-RUZDIDTESA-N 0 0 450.514 4.529 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706018 1066866830 /nfs/dbraw/zinc/86/68/30/1066866830.db2.gz ZNDYXJVCKINKLE-SFHVURJKSA-N 0 0 472.634 4.874 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492706056 1066866869 /nfs/dbraw/zinc/86/68/69/1066866869.db2.gz APALXWJFCGOGCM-QFIPXVFZSA-N 0 0 456.635 4.571 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001492705911 1066866887 /nfs/dbraw/zinc/86/68/87/1066866887.db2.gz WERUXJGLYXXYQT-UHFFFAOYSA-N 0 0 471.943 4.893 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC001457571339 1066867134 /nfs/dbraw/zinc/86/71/34/1066867134.db2.gz IYTYBARVCOUGKG-IBGZPJMESA-N 0 0 450.501 4.826 20 0 JJADRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(C)n1 ZINC001457571463 1066867186 /nfs/dbraw/zinc/86/71/86/1066867186.db2.gz JCRQMVDLOUDTOS-UHFFFAOYSA-N 0 0 453.955 4.982 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC001447841030 1066867648 /nfs/dbraw/zinc/86/76/48/1066867648.db2.gz OCJNONUTHSZTOA-FQEVSTJZSA-N 0 0 452.555 4.850 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Br)c1 ZINC001492706195 1066867689 /nfs/dbraw/zinc/86/76/89/1066867689.db2.gz FUSCHIANJWSSDN-UHFFFAOYSA-N 0 0 494.441 4.648 20 0 JJADRN COCc1[nH]nc(NC(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)c1-c1ccc(Cl)cc1 ZINC001457572598 1066867714 /nfs/dbraw/zinc/86/77/14/1066867714.db2.gz GJDKYXWWUYXGCV-UHFFFAOYSA-N 0 0 457.918 4.871 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492706358 1066868371 /nfs/dbraw/zinc/86/83/71/1066868371.db2.gz KNIUNHVQWAPCSA-HXUWFJFHSA-N 0 0 480.510 4.909 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1I ZINC001457575358 1066868513 /nfs/dbraw/zinc/86/85/13/1066868513.db2.gz PKAZDBUEMRAQRU-GXTWGEPZSA-N 0 0 478.758 4.967 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccn1 ZINC001447844915 1066868553 /nfs/dbraw/zinc/86/85/53/1066868553.db2.gz ZXBZCOYBKHSZTA-SSPYTLHUSA-N 0 0 451.611 4.950 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846145 1066868951 /nfs/dbraw/zinc/86/89/51/1066868951.db2.gz XUHJLVOXLPKASZ-AZUAARDMSA-N 0 0 453.583 4.750 20 0 JJADRN O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001457577652 1066869761 /nfs/dbraw/zinc/86/97/61/1066869761.db2.gz XQFFHBUXYHXUID-UHFFFAOYSA-N 0 0 458.971 4.547 20 0 JJADRN CCCCCC[C@@H](CC)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC001457577187 1066869766 /nfs/dbraw/zinc/86/97/66/1066869766.db2.gz LGEBLSAETZXZCE-GOSISDBHSA-N 0 0 452.437 4.528 20 0 JJADRN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC001447851011 1066869844 /nfs/dbraw/zinc/86/98/44/1066869844.db2.gz POSMEMGWWLUOMS-IBGZPJMESA-N 0 0 459.930 4.533 20 0 JJADRN COc1ccc(-c2ocnc2C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001457580532 1066870195 /nfs/dbraw/zinc/87/01/95/1066870195.db2.gz RLFXAMXTLIUVNV-MRXNPFEDSA-N 0 0 451.523 4.866 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC001447859611 1066870258 /nfs/dbraw/zinc/87/02/58/1066870258.db2.gz OSUADKVHYQJDMR-RDTXWAMCSA-N 0 0 455.393 4.672 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N[C@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001447858547 1066870283 /nfs/dbraw/zinc/87/02/83/1066870283.db2.gz NLJBYJRMONPPAY-QFIPXVFZSA-N 0 0 452.334 4.560 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC001457579886 1066870252 /nfs/dbraw/zinc/87/02/52/1066870252.db2.gz VWLIGSPVQPQSJR-VXGBXAGGSA-N 0 0 457.021 4.972 20 0 JJADRN Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1 ZINC001457583212 1066870724 /nfs/dbraw/zinc/87/07/24/1066870724.db2.gz XXHFMTHOSJGCNV-UHFFFAOYSA-N 0 0 459.568 4.905 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(I)ccc1C ZINC001447861591 1066870795 /nfs/dbraw/zinc/87/07/95/1066870795.db2.gz CEEXPWONRAQVBL-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN COc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1OC(C)C ZINC001447859674 1066870806 /nfs/dbraw/zinc/87/08/06/1066870806.db2.gz PLTWVRAHQJIRAO-IBGZPJMESA-N 0 0 452.320 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001457585388 1066871507 /nfs/dbraw/zinc/87/15/07/1066871507.db2.gz RMFHIDFQVPJRNT-BMGDILEWSA-N 0 0 459.978 4.879 20 0 JJADRN CC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(CC(C)C)C(C)C)NC(=O)OC(C)(C)C ZINC001546000975 1066871781 /nfs/dbraw/zinc/87/17/81/1066871781.db2.gz FIOJOFLHMJSBNE-HXUWFJFHSA-N 0 0 483.661 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001457585409 1066872046 /nfs/dbraw/zinc/87/20/46/1066872046.db2.gz RMFHIDFQVPJRNT-WBAXXEDZSA-N 0 0 459.978 4.879 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC001457589999 1066872778 /nfs/dbraw/zinc/87/27/78/1066872778.db2.gz DKZWWJNOOAJVSH-VGOFRKELSA-N 0 0 458.514 4.899 20 0 JJADRN COc1ccc2[nH]cc(CC(=O)NCc3cc(Br)ccc3Br)c2c1 ZINC001447872249 1066872920 /nfs/dbraw/zinc/87/29/20/1066872920.db2.gz UMBIIUZIRTTZFD-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 ZINC001492709041 1066872990 /nfs/dbraw/zinc/87/29/90/1066872990.db2.gz UZMHXILKRNISFG-QGZVFWFLSA-N 0 0 481.453 4.701 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492709221 1066873086 /nfs/dbraw/zinc/87/30/86/1066873086.db2.gz BZYFLMAGSBQLRZ-NVXWUHKLSA-N 0 0 466.483 4.541 20 0 JJADRN Cc1cc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2CCO)ccc1NC(=O)CC(C)C ZINC001457591552 1066873356 /nfs/dbraw/zinc/87/33/56/1066873356.db2.gz HBTDFEWFDQFIRT-UHFFFAOYSA-N 0 0 454.958 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[C@H]1C1CC1 ZINC001457590192 1066873418 /nfs/dbraw/zinc/87/34/18/1066873418.db2.gz FIJTYNLNMQQUOE-DLBZAZTESA-N 0 0 450.004 4.787 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC001457590962 1066873438 /nfs/dbraw/zinc/87/34/38/1066873438.db2.gz BUAGQKWMJYTZGQ-QHCPKHFHSA-N 0 0 453.970 4.742 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001457590224 1066873470 /nfs/dbraw/zinc/87/34/70/1066873470.db2.gz FIJTYNLNMQQUOE-SJORKVTESA-N 0 0 450.004 4.787 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC001457591950 1066873512 /nfs/dbraw/zinc/87/35/12/1066873512.db2.gz JICQWXZQDUVXBJ-UHFFFAOYSA-N 0 0 459.477 4.558 20 0 JJADRN Cc1nccn1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 ZINC001492709574 1066873744 /nfs/dbraw/zinc/87/37/44/1066873744.db2.gz MVIURWCWYRAWBR-MRXNPFEDSA-N 0 0 461.035 4.608 20 0 JJADRN Cc1nccn1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 ZINC001492709527 1066873762 /nfs/dbraw/zinc/87/37/62/1066873762.db2.gz LYPRFXFQXREHNR-SZPZYZBQSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001492709636 1066873794 /nfs/dbraw/zinc/87/37/94/1066873794.db2.gz OXJSQOQFKJGBHF-XMSQKQJNSA-N 0 0 490.574 4.846 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001457593948 1066874115 /nfs/dbraw/zinc/87/41/15/1066874115.db2.gz MQRGGTACVXHXEW-NRFANRHFSA-N 0 0 452.551 4.608 20 0 JJADRN CCCCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001457594608 1066874586 /nfs/dbraw/zinc/87/45/86/1066874586.db2.gz PBAMHBNJAWLBIY-OXQOHEQNSA-N 0 0 456.530 4.810 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(C)cc2OCC2CC2)c1 ZINC001457595606 1066874635 /nfs/dbraw/zinc/87/46/35/1066874635.db2.gz MNCVAFOZYZVNDI-QHCPKHFHSA-N 0 0 454.567 4.675 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001457595301 1066874761 /nfs/dbraw/zinc/87/47/61/1066874761.db2.gz HIPUKUYWZSPVEC-HNAYVOBHSA-N 0 0 458.352 4.793 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001457597462 1066875218 /nfs/dbraw/zinc/87/52/18/1066875218.db2.gz ZFPBIIGHPYYBEI-OAHLLOKOSA-N 0 0 450.407 4.652 20 0 JJADRN O=C(NCCCC(=O)N1CCC(c2ccccc2Br)CC1)NC1CCCCC1 ZINC001447907772 1066875341 /nfs/dbraw/zinc/87/53/41/1066875341.db2.gz ZXYXOQQZEDQQHI-UHFFFAOYSA-N 0 0 450.421 4.567 20 0 JJADRN O=C([C@H]1CC(=O)N(c2c(F)cccc2F)C1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001457597426 1066875357 /nfs/dbraw/zinc/87/53/57/1066875357.db2.gz ZFPBIIGHPYYBEI-HNNXBMFYSA-N 0 0 450.407 4.652 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C1CCCCC1 ZINC001457604295 1066876140 /nfs/dbraw/zinc/87/61/40/1066876140.db2.gz FZFIHYRQTWJDGM-OAQYLSRUSA-N 0 0 454.596 4.901 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001492710709 1066876081 /nfs/dbraw/zinc/87/60/81/1066876081.db2.gz ZIAUOFJCOFITBO-AWEZNQCLSA-N 0 0 457.916 4.674 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(-c2cccs2)nn1CCO ZINC001457606749 1066876687 /nfs/dbraw/zinc/87/66/87/1066876687.db2.gz MDMBFPGQOCOYLH-UHFFFAOYSA-N 0 0 456.568 4.522 20 0 JJADRN CCc1c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cnn1-c1cccc(Cl)c1 ZINC001457607285 1066876704 /nfs/dbraw/zinc/87/67/04/1066876704.db2.gz MMXBABGAWHPUKP-UHFFFAOYSA-N 0 0 450.901 4.690 20 0 JJADRN Cc1cc(C)c(CC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c(C)c1Br ZINC001457607205 1066876746 /nfs/dbraw/zinc/87/67/46/1066876746.db2.gz MCBIJOPXHVNODP-UHFFFAOYSA-N 0 0 457.343 4.905 20 0 JJADRN Cc1nccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001492711379 1066877070 /nfs/dbraw/zinc/87/70/70/1066877070.db2.gz SGVXYFOZUKFHCY-SIKLNZKXSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)(F)C1 ZINC001492711812 1066877091 /nfs/dbraw/zinc/87/70/91/1066877091.db2.gz HEIKVSRSEFWDAC-UHFFFAOYSA-N 0 0 485.366 4.851 20 0 JJADRN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(C(C)(C)O)c4)cc3[nH]c2=S)c1C ZINC001447923568 1066877386 /nfs/dbraw/zinc/87/73/86/1066877386.db2.gz HHLGEAGJJXDELI-UHFFFAOYSA-N 0 0 459.571 4.771 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)CC1 ZINC001492712293 1066877759 /nfs/dbraw/zinc/87/77/59/1066877759.db2.gz YIELTIMTXLGHJS-HXUWFJFHSA-N 0 0 450.631 4.986 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCCC1 ZINC001492712016 1066877837 /nfs/dbraw/zinc/87/78/37/1066877837.db2.gz PCOICOQEHJZYCR-UHFFFAOYSA-N 0 0 450.631 4.986 20 0 JJADRN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001457610792 1066878060 /nfs/dbraw/zinc/87/80/60/1066878060.db2.gz UYUFGEZPKBZWPO-UHFFFAOYSA-N 0 0 457.292 4.781 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@H]1SCCc2sccc21 ZINC001447935581 1066878085 /nfs/dbraw/zinc/87/80/85/1066878085.db2.gz CPASHUKUBODNSY-SFHVURJKSA-N 0 0 454.539 4.518 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001447936545 1066878174 /nfs/dbraw/zinc/87/81/74/1066878174.db2.gz WUTMWWMBFZMRLU-KRWDZBQOSA-N 0 0 452.288 4.674 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1ccccc1F ZINC001546001373 1066878227 /nfs/dbraw/zinc/87/82/27/1066878227.db2.gz MDQFOCOZUNYRNZ-RTBURBONSA-N 0 0 459.516 4.742 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@@H]1SCCc2sccc21 ZINC001447935578 1066878292 /nfs/dbraw/zinc/87/82/92/1066878292.db2.gz CPASHUKUBODNSY-GOSISDBHSA-N 0 0 454.539 4.518 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492712682 1066878498 /nfs/dbraw/zinc/87/84/98/1066878498.db2.gz KPCAWHMKMHHTAL-WOJBJXKFSA-N 0 0 452.578 4.771 20 0 JJADRN O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cccnc1I ZINC001457611503 1066878553 /nfs/dbraw/zinc/87/85/53/1066878553.db2.gz RIAUPKZDZXEQDV-UHFFFAOYSA-N 0 0 458.234 4.621 20 0 JJADRN O=C(N[C@@H](CO)Cc1ccncc1)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001447938409 1066878682 /nfs/dbraw/zinc/87/86/82/1066878682.db2.gz UXMPTRRXNYBNCR-QGZVFWFLSA-N 0 0 450.457 4.724 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N(CC(C)C)C(C)C ZINC001492713203 1066878924 /nfs/dbraw/zinc/87/89/24/1066878924.db2.gz AHDIQMHBBNVHEV-UHFFFAOYSA-N 0 0 457.420 4.920 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492713360 1066879067 /nfs/dbraw/zinc/87/90/67/1066879067.db2.gz HHGCNCBEGMBJJS-LJQANCHMSA-N 0 0 469.431 4.921 20 0 JJADRN CS(=O)(=O)Nc1cccc(F)c1CNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001457615259 1066879154 /nfs/dbraw/zinc/87/91/54/1066879154.db2.gz DGXSPKCAIDOOEW-UHFFFAOYSA-N 0 0 452.979 4.660 20 0 JJADRN CCOc1ccc2cc(C(=O)NC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)[nH]c2c1 ZINC001447943344 1066879347 /nfs/dbraw/zinc/87/93/47/1066879347.db2.gz YKLQFYWZYPVVCW-UHFFFAOYSA-N 0 0 459.468 4.620 20 0 JJADRN CN(C(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447940740 1066879364 /nfs/dbraw/zinc/87/93/64/1066879364.db2.gz IUNFYOYFXDBLDH-CFPAGDMOSA-N 0 0 452.334 4.672 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001546001402 1066879393 /nfs/dbraw/zinc/87/93/93/1066879393.db2.gz MNLZXFBEDWQRAL-RDJZCZTQSA-N 0 0 474.631 4.728 20 0 JJADRN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447945755 1066880027 /nfs/dbraw/zinc/88/00/27/1066880027.db2.gz MXZHKGNLBVPSCV-CCKFTAQKSA-N 0 0 455.179 4.902 20 0 JJADRN CC(C)C[C@H](CC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)NC(=O)OC(C)(C)C ZINC001447946486 1066880048 /nfs/dbraw/zinc/88/00/48/1066880048.db2.gz OHLSRBFHUJRJKR-DJKXOVBDSA-N 0 0 459.414 4.739 20 0 JJADRN CC(C)(C(=O)N1CCN(c2cncc3ccccc32)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447952405 1066881132 /nfs/dbraw/zinc/88/11/32/1066881132.db2.gz JKKUKPUOXAAVCF-JOCHJYFZSA-N 0 0 458.389 4.950 20 0 JJADRN CC(C)(C)NC(=O)N1CCN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 ZINC001447953288 1066881312 /nfs/dbraw/zinc/88/13/12/1066881312.db2.gz BCPHJNREWJENGX-UHFFFAOYSA-N 0 0 456.656 4.832 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492714564 1066881398 /nfs/dbraw/zinc/88/13/98/1066881398.db2.gz NKAHFNJEXVDJCN-IBGZPJMESA-N 0 0 455.006 4.724 20 0 JJADRN Cc1nccnc1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001492714870 1066881477 /nfs/dbraw/zinc/88/14/77/1066881477.db2.gz NEJFLEFIUMRASI-HXUWFJFHSA-N 0 0 460.504 4.516 20 0 JJADRN Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(OC[C@H]2CCOC2)c1 ZINC001457618989 1066881537 /nfs/dbraw/zinc/88/15/37/1066881537.db2.gz BIVDYSROEIKPCY-KRWDZBQOSA-N 0 0 456.489 4.593 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)c2)no1 ZINC001447955879 1066881732 /nfs/dbraw/zinc/88/17/32/1066881732.db2.gz GVFYVOURSZWDKS-OALUTQOASA-N 0 0 456.587 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC001447955190 1066881740 /nfs/dbraw/zinc/88/17/40/1066881740.db2.gz GEICKTMQYWUHJG-SFTDATJTSA-N 0 0 454.567 4.597 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)CCO1 ZINC001546092941 1066881993 /nfs/dbraw/zinc/88/19/93/1066881993.db2.gz HVPCRZPPHKWVHF-XXBNENTESA-N 0 0 482.547 4.823 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2F)CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001447957420 1066882073 /nfs/dbraw/zinc/88/20/73/1066882073.db2.gz FNKRHURUWOUDID-UHFFFAOYSA-N 0 0 453.938 4.553 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCSC1 ZINC001492716928 1066882588 /nfs/dbraw/zinc/88/25/88/1066882588.db2.gz DMDXETJVQUDKID-HNNXBMFYSA-N 0 0 493.450 4.587 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 ZINC001492716942 1066882704 /nfs/dbraw/zinc/88/27/04/1066882704.db2.gz DSNDMFQMISNXAM-UHFFFAOYSA-N 0 0 487.942 4.630 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001447958836 1066882826 /nfs/dbraw/zinc/88/28/26/1066882826.db2.gz JGUHHEKOIRUGEZ-HZPDHXFCSA-N 0 0 453.674 4.981 20 0 JJADRN CC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(F)(F)F)Oc1ccccc1F ZINC001546001553 1066882864 /nfs/dbraw/zinc/88/28/64/1066882864.db2.gz OZEVFLKMDFUUGO-QGZVFWFLSA-N 0 0 476.478 4.512 20 0 JJADRN O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001457622640 1066883291 /nfs/dbraw/zinc/88/32/91/1066883291.db2.gz JZKJZZLPVPJLNS-HSZRJFAPSA-N 0 0 450.991 4.881 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC[C@@H](C)C1 ZINC001492717310 1066883716 /nfs/dbraw/zinc/88/37/16/1066883716.db2.gz QSGAFLOFDKGGKU-QAPCUYQASA-N 0 0 458.557 4.969 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492717284 1066883738 /nfs/dbraw/zinc/88/37/38/1066883738.db2.gz PSKWFQGTNJLQJA-UHFFFAOYSA-N 0 0 474.657 4.894 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC001457623050 1066883922 /nfs/dbraw/zinc/88/39/22/1066883922.db2.gz LNFWEPQIJSHGAO-NRFANRHFSA-N 0 0 452.555 4.909 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001447964088 1066883869 /nfs/dbraw/zinc/88/38/69/1066883869.db2.gz BOULICMZQSRZMY-IEBWSBKVSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCC(F)(F)F ZINC001492717446 1066884280 /nfs/dbraw/zinc/88/42/80/1066884280.db2.gz ROJNHQLSTITTDI-MRXNPFEDSA-N 0 0 468.499 4.886 20 0 JJADRN O=C(N1CCC(COc2ccccc2C(F)(F)F)CC1)C1([C@H]2CCCCO2)CCOCC1 ZINC001447967342 1066884537 /nfs/dbraw/zinc/88/45/37/1066884537.db2.gz WQRPDBWCUPLWFZ-OAQYLSRUSA-N 0 0 455.517 4.689 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001492717800 1066884856 /nfs/dbraw/zinc/88/48/56/1066884856.db2.gz WMRJAGKSXVSGKN-MGPUTAFESA-N 0 0 495.603 4.952 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC001457627976 1066884898 /nfs/dbraw/zinc/88/48/98/1066884898.db2.gz ZESSDRMNCITTFG-UHFFFAOYSA-N 0 0 450.373 4.890 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2=O)ccc1Br ZINC001457626455 1066885047 /nfs/dbraw/zinc/88/50/47/1066885047.db2.gz VXHCBORUCSAVFF-HNNXBMFYSA-N 0 0 454.324 4.713 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C1(C)C ZINC001447968218 1066885000 /nfs/dbraw/zinc/88/50/00/1066885000.db2.gz DUSGOGRDPIELEG-JKSBSHDWSA-N 0 0 458.521 4.547 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CCN1C(=O)OC(C)(C)C ZINC001447968207 1066885009 /nfs/dbraw/zinc/88/50/09/1066885009.db2.gz QDIZXGGWIUWVAA-AWEZNQCLSA-N 0 0 454.445 4.927 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)c(O)c(C)c3C)CC2)c1C ZINC001447968827 1066885041 /nfs/dbraw/zinc/88/50/41/1066885041.db2.gz QYVXGNGJQCWXMM-UHFFFAOYSA-N 0 0 458.624 4.591 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001492717920 1066885240 /nfs/dbraw/zinc/88/52/40/1066885240.db2.gz OXKWEOGYXMIIGD-HXUWFJFHSA-N 0 0 475.494 4.881 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC[C@H](O)C1 ZINC001492717809 1066885267 /nfs/dbraw/zinc/88/52/67/1066885267.db2.gz WRARSHSPKJHCGO-UPVQGACJSA-N 0 0 494.684 4.908 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@H](F)C1 ZINC001492717907 1066885453 /nfs/dbraw/zinc/88/54/53/1066885453.db2.gz OJBZOGXLULKDGQ-IRXDYDNUSA-N 0 0 475.410 4.833 20 0 JJADRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cnc(F)c(Br)c1 ZINC001457629599 1066885358 /nfs/dbraw/zinc/88/53/58/1066885358.db2.gz YMAPBJATAYQOOO-UHFFFAOYSA-N 0 0 452.287 4.542 20 0 JJADRN Cc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(OC(F)(F)F)c4)s3)CC2)n[nH]1 ZINC001447969794 1066885565 /nfs/dbraw/zinc/88/55/65/1066885565.db2.gz UCMNNXPCQRTRPE-UHFFFAOYSA-N 0 0 450.486 4.744 20 0 JJADRN COc1cc(C(=O)CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc(OC)c1OC ZINC001447972487 1066885600 /nfs/dbraw/zinc/88/56/00/1066885600.db2.gz LZMHBOVRPVLRJG-BHDDXSALSA-N 0 0 451.563 4.860 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@@H]1C ZINC001492717975 1066886094 /nfs/dbraw/zinc/88/60/94/1066886094.db2.gz YVNQCXGGFFMPFY-AVRDEDQJSA-N 0 0 464.658 4.902 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001457630497 1066886193 /nfs/dbraw/zinc/88/61/93/1066886193.db2.gz AUTLBKDTAWFWJJ-UHFFFAOYSA-N 0 0 458.703 4.893 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ncc(Cc2ccccc2)o1 ZINC001447973459 1066886370 /nfs/dbraw/zinc/88/63/70/1066886370.db2.gz XYHKYYNXSPHWAM-HXUWFJFHSA-N 0 0 457.368 4.796 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492718387 1066886608 /nfs/dbraw/zinc/88/66/08/1066886608.db2.gz DLQBIGBQPIUZLS-UHFFFAOYSA-N 0 0 467.565 4.521 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC001457631374 1066886739 /nfs/dbraw/zinc/88/67/39/1066886739.db2.gz FRLKLJAYXRYKQM-QFBILLFUSA-N 0 0 454.571 4.566 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1 ZINC001457632575 1066887312 /nfs/dbraw/zinc/88/73/12/1066887312.db2.gz CTEDNTSEENFEPT-CQSZACIVSA-N 0 0 455.393 4.660 20 0 JJADRN O=C(c1ccc2c(c1)CCOC2)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447978870 1066887361 /nfs/dbraw/zinc/88/73/61/1066887361.db2.gz CIYAEJGDTMZLCM-XMMPIXPASA-N 0 0 453.485 4.737 20 0 JJADRN COc1cc2cc(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)[nH]c2cc1OC ZINC001457632998 1066887512 /nfs/dbraw/zinc/88/75/12/1066887512.db2.gz PJPVLMZKGBDWAW-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001492718761 1066887989 /nfs/dbraw/zinc/88/79/89/1066887989.db2.gz RLILQLCRVSKNAB-RUZDIDTESA-N 0 0 471.049 4.559 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1CCc1ccccc1Cl ZINC001492718618 1066888009 /nfs/dbraw/zinc/88/80/09/1066888009.db2.gz MHSQBPREJKIGIO-UHFFFAOYSA-N 0 0 455.031 4.813 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492718913 1066888031 /nfs/dbraw/zinc/88/80/31/1066888031.db2.gz WBHCAUMRYJJIEM-QFIPXVFZSA-N 0 0 487.693 4.547 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H](C)Cc1cccs1 ZINC001492719082 1066888346 /nfs/dbraw/zinc/88/83/46/1066888346.db2.gz ZCVCHBMBMMWMDR-QGZVFWFLSA-N 0 0 466.630 4.935 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(C)(F)F)c1 ZINC001492719323 1066888429 /nfs/dbraw/zinc/88/84/29/1066888429.db2.gz HPDPIDRMYGOVDU-NRFANRHFSA-N 0 0 458.557 4.666 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCC1 ZINC001492719167 1066888436 /nfs/dbraw/zinc/88/84/36/1066888436.db2.gz DQTXXYSCFYTQOP-UHFFFAOYSA-N 0 0 485.677 4.570 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccccc2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546002020 1066888472 /nfs/dbraw/zinc/88/84/72/1066888472.db2.gz YGAPZYLFVDENGF-SIKLNZKXSA-N 0 0 476.625 4.691 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC001447986226 1066888664 /nfs/dbraw/zinc/88/86/64/1066888664.db2.gz IJDLLNVOXDUSJI-YSIASYRMSA-N 0 0 456.633 4.857 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492718908 1066888969 /nfs/dbraw/zinc/88/89/69/1066888969.db2.gz WABJEOUCCULQDS-JPYJTQIMSA-N 0 0 499.704 4.643 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccsc1)Oc1cccc(F)c1 ZINC001546002066 1066889375 /nfs/dbraw/zinc/88/93/75/1066889375.db2.gz YZQMFBPAPWZIGC-NRFANRHFSA-N 0 0 451.571 4.959 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(C)C)CC1 ZINC001492720052 1066889394 /nfs/dbraw/zinc/88/93/94/1066889394.db2.gz CZKFEPOXHDSKSG-IBGZPJMESA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccccc1 ZINC001492720114 1066889496 /nfs/dbraw/zinc/88/94/96/1066889496.db2.gz FNAJBTKOXJJYAH-ISKFKSNPSA-N 0 0 464.658 4.816 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492720446 1066889976 /nfs/dbraw/zinc/88/99/76/1066889976.db2.gz PAWSGEJPJVATNM-XMSQKQJNSA-N 0 0 487.048 4.721 20 0 JJADRN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC001457649302 1066890254 /nfs/dbraw/zinc/89/02/54/1066890254.db2.gz YDNVTNBPNCDYID-IBGZPJMESA-N 0 0 458.628 4.887 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC001457646728 1066890483 /nfs/dbraw/zinc/89/04/83/1066890483.db2.gz JBOFEVZCUHVOPJ-UHFFFAOYSA-N 0 0 456.999 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)CCCC[C@H]12 ZINC001448020736 1066890608 /nfs/dbraw/zinc/89/06/08/1066890608.db2.gz LXMQFQUMUFZTPV-GERBCZOESA-N 0 0 481.559 4.970 20 0 JJADRN CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)CCOc2ccccc2Br)C1 ZINC001448012988 1066890630 /nfs/dbraw/zinc/89/06/30/1066890630.db2.gz AUTALMHUUBFRQS-QGZVFWFLSA-N 0 0 456.384 4.994 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCOC(C)C ZINC001492720540 1066890607 /nfs/dbraw/zinc/89/06/07/1066890607.db2.gz RKGNEGKSYHQSHP-UHFFFAOYSA-N 0 0 463.051 4.636 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001492720779 1066890810 /nfs/dbraw/zinc/89/08/10/1066890810.db2.gz ALPCAWUAZAQMOC-HUUCEWRRSA-N 0 0 457.420 4.589 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001492720777 1066890854 /nfs/dbraw/zinc/89/08/54/1066890854.db2.gz ALPCAWUAZAQMOC-CABCVRRESA-N 0 0 457.420 4.589 20 0 JJADRN CO[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1Cl ZINC001457652227 1066890967 /nfs/dbraw/zinc/89/09/67/1066890967.db2.gz NYUXDTLTJKTINN-UYAOXDASSA-N 0 0 450.938 4.591 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)c1-c1ccc2c(c1)OCO2 ZINC001457654724 1066890995 /nfs/dbraw/zinc/89/09/95/1066890995.db2.gz CBXOACNXDVIVOU-WMLDXEAASA-N 0 0 458.559 4.636 20 0 JJADRN CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC001457653945 1066891054 /nfs/dbraw/zinc/89/10/54/1066891054.db2.gz OYGHZWDCMDSJKV-NRFANRHFSA-N 0 0 454.954 4.563 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc3c(cccc3Br)[nH]2)cc1Br ZINC001448021109 1066891106 /nfs/dbraw/zinc/89/11/06/1066891106.db2.gz FIDHYWBZXOUJIQ-UHFFFAOYSA-N 0 0 454.118 4.962 20 0 JJADRN COc1cc(OC)c(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc1Br ZINC001448021839 1066891124 /nfs/dbraw/zinc/89/11/24/1066891124.db2.gz GYAYZDLFKLZBOJ-UHFFFAOYSA-N 0 0 459.381 4.880 20 0 JJADRN COc1cccc(CN(CC(C)C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC001457657346 1066891446 /nfs/dbraw/zinc/89/14/46/1066891446.db2.gz OSIPOUSPSOYMQZ-UHFFFAOYSA-N 0 0 453.608 4.902 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)c1 ZINC001457659615 1066891457 /nfs/dbraw/zinc/89/14/57/1066891457.db2.gz FGHKEIDTEHPDJB-RUZDIDTESA-N 0 0 455.620 4.565 20 0 JJADRN CC(C)n1cc2ccc(NC(=O)c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)o3)cc2n1 ZINC001457659045 1066891515 /nfs/dbraw/zinc/89/15/15/1066891515.db2.gz LECSHODMCDCBQM-UHFFFAOYSA-N 0 0 453.543 4.972 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C(C)(C)C ZINC001448024276 1066891510 /nfs/dbraw/zinc/89/15/10/1066891510.db2.gz UVYSUQHERQCDAV-CRAIPNDOSA-N 0 0 457.537 4.730 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)cc1Br ZINC001448025806 1066891544 /nfs/dbraw/zinc/89/15/44/1066891544.db2.gz TTYJJIVEPSLQTH-HNNXBMFYSA-N 0 0 451.361 4.564 20 0 JJADRN COC(CCCC(C)(C)CNC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12)OC ZINC001448023873 1066891631 /nfs/dbraw/zinc/89/16/31/1066891631.db2.gz WPCFFZAAQZJABO-UHFFFAOYSA-N 0 0 452.599 4.797 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ccccc1OCc1ccccc1Cl ZINC001448023471 1066891751 /nfs/dbraw/zinc/89/17/51/1066891751.db2.gz FOEXFCMPZYQIEJ-UHFFFAOYSA-N 0 0 454.901 4.809 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C12CCC2 ZINC001457660227 1066891992 /nfs/dbraw/zinc/89/19/92/1066891992.db2.gz YFLLFJDLOQQBGY-FFZOFVMBSA-N 0 0 453.410 4.652 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC001546092748 1066892103 /nfs/dbraw/zinc/89/21/03/1066892103.db2.gz FGDYLORCKBETKL-GHTZIAJQSA-N 0 0 456.484 4.731 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCCC1 ZINC001492721084 1066892173 /nfs/dbraw/zinc/89/21/73/1066892173.db2.gz LHZSBJCWFFDJPF-UHFFFAOYSA-N 0 0 457.420 4.733 20 0 JJADRN CCc1nc(C(=O)NC[C@H](OC)c2ccccc2Cl)nn1-c1c(Cl)cccc1Cl ZINC001457660280 1066892241 /nfs/dbraw/zinc/89/22/41/1066892241.db2.gz YJMVGXYCMCVUMM-INIZCTEOSA-N 0 0 453.757 4.907 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@@H](COc3c(C)cccc3C)c3ccccc3)CC2=O)cc1 ZINC001457662549 1066892665 /nfs/dbraw/zinc/89/26/65/1066892665.db2.gz LQEADIPYIAEQIX-RDGATRHJSA-N 0 0 458.558 4.601 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H](C1CCCCC1)C2 ZINC001457664232 1066893263 /nfs/dbraw/zinc/89/32/63/1066893263.db2.gz QAADMAWDMVDLJT-BVZFJXPGSA-N 0 0 455.620 4.736 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)c1C ZINC001457664736 1066893275 /nfs/dbraw/zinc/89/32/75/1066893275.db2.gz VDGCRNNXVOLWMO-DEOSSOPVSA-N 0 0 451.588 4.874 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C(C)C ZINC001492722385 1066893290 /nfs/dbraw/zinc/89/32/90/1066893290.db2.gz AOKPCLJYKPXXRV-UHFFFAOYSA-N 0 0 468.989 4.917 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 ZINC001492722432 1066893874 /nfs/dbraw/zinc/89/38/74/1066893874.db2.gz BYHHYWUYKVRBJH-CYBMUJFWSA-N 0 0 481.453 4.504 20 0 JJADRN CC(C)(O)CCNC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001448052365 1066893929 /nfs/dbraw/zinc/89/39/29/1066893929.db2.gz WRMILMQWTBMBDX-UHFFFAOYSA-N 0 0 452.595 4.607 20 0 JJADRN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457669787 1066894435 /nfs/dbraw/zinc/89/44/35/1066894435.db2.gz RSBUBSUPZWJGAS-LBPRGKRZSA-N 0 0 456.369 4.723 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001448055294 1066894586 /nfs/dbraw/zinc/89/45/86/1066894586.db2.gz WSNYYZSQHGOXCJ-VJBWXMMDSA-N 0 0 452.595 4.623 20 0 JJADRN CCOC(=O)N(C)CCCC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671267 1066894803 /nfs/dbraw/zinc/89/48/03/1066894803.db2.gz ZHGYBKMTOPCNFX-ZDUSSCGKSA-N 0 0 454.390 4.618 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492723602 1066894858 /nfs/dbraw/zinc/89/48/58/1066894858.db2.gz UWDVUCNRAVNISA-QFIPXVFZSA-N 0 0 497.688 4.931 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)CC2CCOCC2)n(C)n1 ZINC001492723954 1066894886 /nfs/dbraw/zinc/89/48/86/1066894886.db2.gz GXKHZWMBSRWDEC-IBGZPJMESA-N 0 0 487.048 4.641 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(CCC(F)(F)F)CC2CC2)n(C)n1 ZINC001492724128 1066895007 /nfs/dbraw/zinc/89/50/07/1066895007.db2.gz LZYUVTJLNTXRFF-INIZCTEOSA-N 0 0 480.510 4.816 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(C)C)CC1 ZINC001492723522 1066895034 /nfs/dbraw/zinc/89/50/34/1066895034.db2.gz QCZOROHBKCEUPI-UHFFFAOYSA-N 0 0 493.700 4.699 20 0 JJADRN CC(=O)SCCCCCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001448062090 1066895087 /nfs/dbraw/zinc/89/50/87/1066895087.db2.gz PELFFVKTZAHDEH-SZRHCGQDSA-N 0 0 451.032 4.691 20 0 JJADRN COc1ccc([C@H](NC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)c2ccccc2OC)cc1 ZINC001546002466 1066895151 /nfs/dbraw/zinc/89/51/51/1066895151.db2.gz LJOACQDATYRTRC-XWEVFREBSA-N 0 0 454.567 4.555 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cs2)cc1 ZINC001448061064 1066895247 /nfs/dbraw/zinc/89/52/47/1066895247.db2.gz ABCUKCLVCFFQIC-UHFFFAOYSA-N 0 0 454.567 4.946 20 0 JJADRN C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC12CCCCC2 ZINC001448060923 1066895298 /nfs/dbraw/zinc/89/52/98/1066895298.db2.gz AWEVSSBLGUBWGJ-INIZCTEOSA-N 0 0 452.667 4.721 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC001457672610 1066895368 /nfs/dbraw/zinc/89/53/68/1066895368.db2.gz LSDSLWPTSXQTSY-JLTOFOAXSA-N 0 0 455.357 4.861 20 0 JJADRN NC(=O)C[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1Cl ZINC001457674036 1066895527 /nfs/dbraw/zinc/89/55/27/1066895527.db2.gz FNOCSBUJZGRWBA-QFIPXVFZSA-N 0 0 457.357 4.848 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001448062177 1066895764 /nfs/dbraw/zinc/89/57/64/1066895764.db2.gz ACDLQSDNAGHSGA-SFTDATJTSA-N 0 0 456.631 4.852 20 0 JJADRN CCc1[nH]nc(NC(=O)c2cc(Br)sc2Br)c1Br ZINC001457679120 1066895923 /nfs/dbraw/zinc/89/59/23/1066895923.db2.gz CGXCKJGFHPDDAV-UHFFFAOYSA-N 0 0 457.973 4.573 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2nnn(-c3ccccc3)c2C(F)F)cc1 ZINC001457683690 1066896366 /nfs/dbraw/zinc/89/63/66/1066896366.db2.gz HEUURGSKFMCHAS-UHFFFAOYSA-N 0 0 457.481 4.524 20 0 JJADRN Cc1cc(Cn2c(CCc3ccccc3)nnc2N(C)Cc2cc(Br)cs2)n(C)n1 ZINC001492726066 1066896439 /nfs/dbraw/zinc/89/64/39/1066896439.db2.gz ZQOZVLIDVURZMK-UHFFFAOYSA-N 0 0 485.455 4.614 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)C)nnc3N(C)Cc3ccc(F)c(F)c3)cn2)n1 ZINC001492727824 1066896943 /nfs/dbraw/zinc/89/69/43/1066896943.db2.gz JADDJTHSUWTJNW-UHFFFAOYSA-N 0 0 465.552 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001448072810 1066897052 /nfs/dbraw/zinc/89/70/52/1066897052.db2.gz ZNOHKZVIXGZQJG-QKLQHJQFSA-N 0 0 450.982 4.910 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001448076915 1066897522 /nfs/dbraw/zinc/89/75/22/1066897522.db2.gz DDFNEIUQRZJMGQ-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CCCN(C(=O)c1ccc(-n2ccnc2SC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457688214 1066897799 /nfs/dbraw/zinc/89/77/99/1066897799.db2.gz GXXUIUBWYRGPTE-UHFFFAOYSA-N 0 0 458.628 4.846 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(Cl)cc3)C2)n1 ZINC001492728461 1066898076 /nfs/dbraw/zinc/89/80/76/1066898076.db2.gz DHZGDCIGDJWEAE-HXUWFJFHSA-N 0 0 457.022 4.963 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(Cl)cc3)C2)n1 ZINC001492728460 1066898096 /nfs/dbraw/zinc/89/80/96/1066898096.db2.gz DHZGDCIGDJWEAE-FQEVSTJZSA-N 0 0 457.022 4.963 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)CC3(CNC(=O)OCc4ccccc4)CCCCC3)n[nH]2)o1 ZINC001457691527 1066898167 /nfs/dbraw/zinc/89/81/67/1066898167.db2.gz RXFKTQIAXIWRAO-UHFFFAOYSA-N 0 0 451.527 4.579 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)NCc2cnn(CC(F)(F)F)c2)c2cnn(C(C)C)c2n1 ZINC001457691981 1066898447 /nfs/dbraw/zinc/89/84/47/1066898447.db2.gz QBELLWZKZSBTCL-UHFFFAOYSA-N 0 0 456.472 4.676 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3C[C@@](C)(O)c3ccccc3Cl)C2)n1 ZINC001492729100 1066898753 /nfs/dbraw/zinc/89/87/53/1066898753.db2.gz UNTLDXZVALGROH-YADARESESA-N 0 0 457.022 4.617 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)C1)c1cc2ccccc2o1 ZINC001457695584 1066898913 /nfs/dbraw/zinc/89/89/13/1066898913.db2.gz JSARABKITYMIQB-CQSZACIVSA-N 0 0 452.379 4.764 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3C[C@H](C(C)C)Nc4ccccc43)cc2)cc1 ZINC001457698881 1066899380 /nfs/dbraw/zinc/89/93/80/1066899380.db2.gz VOXXHAIEFUHDDM-RUZDIDTESA-N 0 0 457.574 4.651 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cccc(Cl)c1 ZINC001457695981 1066899411 /nfs/dbraw/zinc/89/94/11/1066899411.db2.gz ZOJNILAWYCOPSQ-OAHLLOKOSA-N 0 0 452.816 4.845 20 0 JJADRN CSc1ncc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)n1-c1ccc(F)cc1 ZINC001457697334 1066899462 /nfs/dbraw/zinc/89/94/62/1066899462.db2.gz NTZUEIFKSPOFQO-UHFFFAOYSA-N 0 0 458.584 4.661 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(Cl)nc2ccccc21 ZINC001457696452 1066899507 /nfs/dbraw/zinc/89/95/07/1066899507.db2.gz XNJSFVVDQJKALC-GFCCVEGCSA-N 0 0 455.267 4.964 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCOCC(C)C)C2)n1 ZINC001492729734 1066899887 /nfs/dbraw/zinc/89/98/87/1066899887.db2.gz JDRYIVKINGSZKF-QHCPKHFHSA-N 0 0 450.631 4.971 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCCCCO)C2)n1 ZINC001492729878 1066899899 /nfs/dbraw/zinc/89/98/99/1066899899.db2.gz MFWSPQQKTBTEAI-LJQANCHMSA-N 0 0 492.455 4.854 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCc3cc(Br)ccc3F)C2)n1 ZINC001492729756 1066899915 /nfs/dbraw/zinc/89/99/15/1066899915.db2.gz JSZPQSKZXSKTMJ-LJQANCHMSA-N 0 0 490.425 4.596 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Br)cc4)n3CCCCCO)C2)n1 ZINC001492729821 1066899928 /nfs/dbraw/zinc/89/99/28/1066899928.db2.gz LEITTXHCOGVMJM-NRFANRHFSA-N 0 0 487.446 4.525 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cc(-c2ccc(Br)o2)no1 ZINC001457701259 1066899991 /nfs/dbraw/zinc/89/99/91/1066899991.db2.gz DYNSZUQCMWRRIC-UHFFFAOYSA-N 0 0 455.190 4.704 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[C@H](C1CCCCC1)C2 ZINC001457701653 1066900072 /nfs/dbraw/zinc/90/00/72/1066900072.db2.gz WTUDMXYAUKEAOO-OSPHWJPCSA-N 0 0 459.583 4.530 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730226 1066900222 /nfs/dbraw/zinc/90/02/22/1066900222.db2.gz RITWGAKKTMZUQH-BKMJKUGQSA-N 0 0 472.678 4.656 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC(=O)NC(C)(C)C)C2)n1 ZINC001492730021 1066900315 /nfs/dbraw/zinc/90/03/15/1066900315.db2.gz OKPYOEHIQBJLGI-NRFANRHFSA-N 0 0 484.048 4.558 20 0 JJADRN C[C@@](O)(CCNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccccc1 ZINC001448109343 1066900368 /nfs/dbraw/zinc/90/03/68/1066900368.db2.gz HBNVHAZDNLGDIE-ISKFKSNPSA-N 0 0 454.364 4.983 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1C ZINC001448113815 1066901005 /nfs/dbraw/zinc/90/10/05/1066901005.db2.gz DAINNLVLCVYRSL-UHFFFAOYSA-N 0 0 454.546 4.960 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC001448115021 1066901469 /nfs/dbraw/zinc/90/14/69/1066901469.db2.gz UAKYLOGZNKJFOB-KRWDZBQOSA-N 0 0 452.979 4.731 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCSC(C)C)C2)n1 ZINC001492731080 1066901458 /nfs/dbraw/zinc/90/14/58/1066901458.db2.gz KWZIELNQTZVVKL-QFIPXVFZSA-N 0 0 456.635 4.804 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2O[C@H]2CCOC2)nnc1-c1ccccc1 ZINC001457712541 1066902102 /nfs/dbraw/zinc/90/21/02/1066902102.db2.gz AMNAOLIPLVCPAQ-MJGOQNOKSA-N 0 0 452.580 4.815 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)nn1-c1ccc(Br)cc1 ZINC001457711605 1066902124 /nfs/dbraw/zinc/90/21/24/1066902124.db2.gz MGMPOYKDEBSUEZ-ZDUSSCGKSA-N 0 0 455.381 4.914 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2O[C@@H]2CCOC2)nnc1-c1ccccc1 ZINC001457712534 1066902140 /nfs/dbraw/zinc/90/21/40/1066902140.db2.gz AMNAOLIPLVCPAQ-IEBWSBKVSA-N 0 0 452.580 4.815 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccccc4F)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492731334 1066902395 /nfs/dbraw/zinc/90/23/95/1066902395.db2.gz QWHOGYLNCBCAIR-WXVAWEFUSA-N 0 0 498.647 4.838 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCS(=O)(=O)c2ccccc2C1)c1ccccc1 ZINC001448125454 1066902496 /nfs/dbraw/zinc/90/24/96/1066902496.db2.gz YGDZJVXSERHSPB-HSZRJFAPSA-N 0 0 455.963 4.585 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C2)n1 ZINC001492731365 1066902499 /nfs/dbraw/zinc/90/24/99/1066902499.db2.gz RMBZGPWEWUEZSQ-LJQANCHMSA-N 0 0 476.547 4.920 20 0 JJADRN O=C(c1csc(I)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001457714232 1066902882 /nfs/dbraw/zinc/90/28/82/1066902882.db2.gz OTWIEGOFJJYGKQ-NSHDSACASA-N 0 0 458.390 4.708 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492731500 1066902939 /nfs/dbraw/zinc/90/29/39/1066902939.db2.gz BLSGIROJDLCKOC-HXUWFJFHSA-N 0 0 481.645 4.640 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2CC[C@@H]2CCO[C@H](C)C2)n1 ZINC001492731463 1066902957 /nfs/dbraw/zinc/90/29/57/1066902957.db2.gz AQRHAANZAWSALE-KIFXHHALSA-N 0 0 480.657 4.508 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC001457713747 1066902968 /nfs/dbraw/zinc/90/29/68/1066902968.db2.gz FPNOSURRCNCJJB-UHFFFAOYSA-N 0 0 454.317 4.748 20 0 JJADRN O=C(c1csc(I)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001457714229 1066902977 /nfs/dbraw/zinc/90/29/77/1066902977.db2.gz OTWIEGOFJJYGKQ-LLVKDONJSA-N 0 0 458.390 4.708 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001546002930 1066903148 /nfs/dbraw/zinc/90/31/48/1066903148.db2.gz ACICTSWZPPUMCE-VXKWHMMOSA-N 0 0 499.656 4.668 20 0 JJADRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001457715165 1066903305 /nfs/dbraw/zinc/90/33/05/1066903305.db2.gz UYZAEUMBOQQOEM-UHFFFAOYSA-N 0 0 450.195 4.605 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCOC(F)(F)F)C2)n1 ZINC001492731556 1066903353 /nfs/dbraw/zinc/90/33/53/1066903353.db2.gz UPLRAHSSEWZDSA-GOSISDBHSA-N 0 0 496.509 4.578 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1F ZINC001546002974 1066903684 /nfs/dbraw/zinc/90/36/84/1066903684.db2.gz BCUORFSFMBXJLT-KRWDZBQOSA-N 0 0 489.020 4.950 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(F)ccc1I)c1ccco1 ZINC001457717267 1066903862 /nfs/dbraw/zinc/90/38/62/1066903862.db2.gz FXKYJPJTQYWWFG-GOSISDBHSA-N 0 0 451.235 4.551 20 0 JJADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001448146486 1066904403 /nfs/dbraw/zinc/90/44/03/1066904403.db2.gz WWORNXGPRRMFKA-UDWIEESQSA-N 0 0 450.861 4.598 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(OCc2cccc(Cl)c2)c1 ZINC001448138899 1066904478 /nfs/dbraw/zinc/90/44/78/1066904478.db2.gz FALDZYSLONVEDW-UHFFFAOYSA-N 0 0 452.938 4.995 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001492732374 1066904612 /nfs/dbraw/zinc/90/46/12/1066904612.db2.gz NXBDIFZQCBFCET-SFHVURJKSA-N 0 0 487.674 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCOc2ncccc2Cl)n1 ZINC001492732394 1066904778 /nfs/dbraw/zinc/90/47/78/1066904778.db2.gz OFVYANMXJISKEO-QGZVFWFLSA-N 0 0 472.018 4.526 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccco1 ZINC001457724401 1066904804 /nfs/dbraw/zinc/90/48/04/1066904804.db2.gz ZNJYEXKKBYHPMI-JOCHJYFZSA-N 0 0 458.436 4.953 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(O)(c4c(F)cccc4F)CC3)s2)cc1 ZINC001448154705 1066904750 /nfs/dbraw/zinc/90/47/50/1066904750.db2.gz LGFZKADQBSQDII-UHFFFAOYSA-N 0 0 458.530 4.919 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cs1 ZINC001448155376 1066904865 /nfs/dbraw/zinc/90/48/65/1066904865.db2.gz JWXSLWQYBXWUOY-UHFFFAOYSA-N 0 0 459.518 4.599 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[C@@H]2CCCCO2)n1 ZINC001492732300 1066904845 /nfs/dbraw/zinc/90/48/45/1066904845.db2.gz MTCRIOJVJWWYNO-ICSRJNTNSA-N 0 0 458.557 4.575 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)[C@@H]1Oc1ccccc1 ZINC001448157589 1066905121 /nfs/dbraw/zinc/90/51/21/1066905121.db2.gz HTEBOFCVVHAYSD-SBHAEUEKSA-N 0 0 459.468 4.759 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)cc1OCc1cccc(Cl)c1 ZINC001448158872 1066905170 /nfs/dbraw/zinc/90/51/70/1066905170.db2.gz JCMQUAJYDRNGGR-QFIPXVFZSA-N 0 0 457.979 4.994 20 0 JJADRN CCOC(=O)C[C@@H]1CCCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448159788 1066905292 /nfs/dbraw/zinc/90/52/92/1066905292.db2.gz QZKWZZVIYJIFFG-SFHVURJKSA-N 0 0 454.954 4.932 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492732528 1066905315 /nfs/dbraw/zinc/90/53/15/1066905315.db2.gz QTCGUBRBQPKWOE-ICSRJNTNSA-N 0 0 458.557 4.868 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457725512 1066905358 /nfs/dbraw/zinc/90/53/58/1066905358.db2.gz DSQLRFDAOHMHBM-RDPSFJRHSA-N 0 0 456.949 4.545 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001546003141 1066905637 /nfs/dbraw/zinc/90/56/37/1066905637.db2.gz DRRGQPMJBYKDJK-HXUWFJFHSA-N 0 0 489.624 4.685 20 0 JJADRN CCSc1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)ccn1 ZINC001448164697 1066905689 /nfs/dbraw/zinc/90/56/89/1066905689.db2.gz NKKLLJXWCCTTJG-UHFFFAOYSA-N 0 0 455.605 4.541 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1 ZINC001457729360 1066905698 /nfs/dbraw/zinc/90/56/98/1066905698.db2.gz VBMWMGNGAQHNOJ-OAQYLSRUSA-N 0 0 451.548 4.511 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)N1CCC(O)(C(F)F)CC1 ZINC001448164209 1066905769 /nfs/dbraw/zinc/90/57/69/1066905769.db2.gz KPXJSAOLYSRLEQ-UHFFFAOYSA-N 0 0 458.336 4.680 20 0 JJADRN COc1cccc2c1n[nH]c2C(=O)NCCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001448164564 1066905815 /nfs/dbraw/zinc/90/58/15/1066905815.db2.gz SBWTYVNPWAMKCX-UHFFFAOYSA-N 0 0 453.930 4.808 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2Cc2sc(C)nc2C)n1 ZINC001492732859 1066906011 /nfs/dbraw/zinc/90/60/11/1066906011.db2.gz XCGQPBMNQLYJSE-MRXNPFEDSA-N 0 0 471.581 4.737 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@@H](C)c2c(C)noc2C)n1 ZINC001492732861 1066906047 /nfs/dbraw/zinc/90/60/47/1066906047.db2.gz XCOPGMQNBFPXOI-DNVCBOLYSA-N 0 0 465.577 4.885 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2nc(-c3ccccc3)c[nH]2)c1)c1ccc(Br)o1 ZINC001457732230 1066906143 /nfs/dbraw/zinc/90/61/43/1066906143.db2.gz SITYABDVTBXQKJ-UHFFFAOYSA-N 0 0 451.280 4.937 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001546003211 1066906300 /nfs/dbraw/zinc/90/63/00/1066906300.db2.gz FOAHXOPPKQKMJM-UZLBHIALSA-N 0 0 473.618 4.634 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)[C@@H]1Oc1ccccc1 ZINC001448168611 1066906327 /nfs/dbraw/zinc/90/63/27/1066906327.db2.gz XMXZWEXXMQBWKF-MZYLBHOOSA-N 0 0 452.576 4.952 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc2ccc(Br)cc2)[C@@H]1Oc1ccccc1 ZINC001448168401 1066906363 /nfs/dbraw/zinc/90/63/63/1066906363.db2.gz WSAWYFCEOMRBPC-YGBSJELFSA-N 0 0 450.398 4.671 20 0 JJADRN CCOC(=O)c1cnc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)c(Cl)c1 ZINC001457737978 1066907068 /nfs/dbraw/zinc/90/70/68/1066907068.db2.gz DNLDIXCVPITEJM-OAHLLOKOSA-N 0 0 450.922 4.832 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC001448175595 1066907178 /nfs/dbraw/zinc/90/71/78/1066907178.db2.gz HZVJHSJJVAYRPA-DEOSSOPVSA-N 0 0 456.011 4.753 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC001448182057 1066907742 /nfs/dbraw/zinc/90/77/42/1066907742.db2.gz OGNNQVCXFZEYBU-UHFFFAOYSA-N 0 0 451.670 4.598 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)nc1C1CCCC1 ZINC001457740107 1066908211 /nfs/dbraw/zinc/90/82/11/1066908211.db2.gz BPJOFJAMRUDAPE-SFHVURJKSA-N 0 0 455.580 4.702 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001457740941 1066908265 /nfs/dbraw/zinc/90/82/65/1066908265.db2.gz FMJURPHWWRQGNT-CQSZACIVSA-N 0 0 455.436 4.966 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492735003 1066908291 /nfs/dbraw/zinc/90/82/91/1066908291.db2.gz HAZZOGLKSGJBJL-GBXCKJPGSA-N 0 0 472.584 4.506 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC001492735005 1066908327 /nfs/dbraw/zinc/90/83/27/1066908327.db2.gz HAZZOGLKSGJBJL-RDPSFJRHSA-N 0 0 472.584 4.506 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC001448192503 1066908426 /nfs/dbraw/zinc/90/84/26/1066908426.db2.gz OGFWEELLLLTCOB-LJQANCHMSA-N 0 0 452.473 4.552 20 0 JJADRN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001457741905 1066908480 /nfs/dbraw/zinc/90/84/80/1066908480.db2.gz GCJCCRVLRZDAIV-QPPBQGQZSA-N 0 0 457.542 4.834 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC(C)(C)c2cccs2)n1 ZINC001492735778 1066909481 /nfs/dbraw/zinc/90/94/81/1066909481.db2.gz JEHDFRHXPGKMRX-UMSFTDKQSA-N 0 0 496.706 4.553 20 0 JJADRN Cc1nc(CCC(=O)N(C)Cc2cc(Cl)cn2C)oc1-c1ccc(Br)cc1 ZINC001457747090 1066909902 /nfs/dbraw/zinc/90/99/02/1066909902.db2.gz HRNSASQCJVHOON-UHFFFAOYSA-N 0 0 450.764 4.996 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CC2(C)CCOCC2)n1 ZINC001492736037 1066910006 /nfs/dbraw/zinc/91/00/06/1066910006.db2.gz RYIFFIOPOULCRS-UHFFFAOYSA-N 0 0 476.547 4.612 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)Oc1cccc(F)c1 ZINC001546003667 1066910331 /nfs/dbraw/zinc/91/03/31/1066910331.db2.gz NTNHWNQSQIQEMY-KNQAVFIVSA-N 0 0 499.656 4.620 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1)Oc1ccccc1F ZINC001546003697 1066910364 /nfs/dbraw/zinc/91/03/64/1066910364.db2.gz OMDXDUMHCHTJIR-UGKGYDQZSA-N 0 0 487.645 4.882 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2C(C)C)CCO1 ZINC001546093595 1066910352 /nfs/dbraw/zinc/91/03/52/1066910352.db2.gz QMHSRMHKVBIOJL-WZOHSFFVSA-N 0 0 461.651 4.615 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[C@@H]2CCO[C@H](C)C2)n1 ZINC001492736119 1066910633 /nfs/dbraw/zinc/91/06/33/1066910633.db2.gz VBHGKSDKKKHQAB-WOJBJXKFSA-N 0 0 488.583 4.583 20 0 JJADRN CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)cc1 ZINC001448223223 1066910749 /nfs/dbraw/zinc/91/07/49/1066910749.db2.gz FPMPDXLLEAXJNP-UHFFFAOYSA-N 0 0 451.954 4.963 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CC2(O)CCCCCC2)n1 ZINC001492736635 1066911637 /nfs/dbraw/zinc/91/16/37/1066911637.db2.gz NCJREIXICYKTMD-UHFFFAOYSA-N 0 0 457.022 4.515 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC001492736504 1066911648 /nfs/dbraw/zinc/91/16/48/1066911648.db2.gz IBWOITKPDRQZGN-QFIPXVFZSA-N 0 0 484.073 4.794 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCNc2ncc(Cl)cc2Cl)n1 ZINC001492736770 1066911948 /nfs/dbraw/zinc/91/19/48/1066911948.db2.gz SCEMZBISPMPXDI-UHFFFAOYSA-N 0 0 485.423 4.590 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546003910 1066912173 /nfs/dbraw/zinc/91/21/73/1066912173.db2.gz SCXHULODGZSAAD-FYYLOGMGSA-N 0 0 482.673 4.639 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492737059 1066912336 /nfs/dbraw/zinc/91/23/36/1066912336.db2.gz DESFPCWAXSGTKR-UPVQGACJSA-N 0 0 494.688 4.531 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1 ZINC001457754144 1066912381 /nfs/dbraw/zinc/91/23/81/1066912381.db2.gz XBKOWYQFKZMURP-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)C1(c2cccnc2)CC2(CCC2)C1 ZINC001457753367 1066912411 /nfs/dbraw/zinc/91/24/11/1066912411.db2.gz PZVCDIQXCPOCDP-UHFFFAOYSA-N 0 0 451.162 4.842 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492736990 1066912455 /nfs/dbraw/zinc/91/24/55/1066912455.db2.gz ASCMQKOGFCYXDO-CZUORRHYSA-N 0 0 467.565 4.688 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233367 1066912599 /nfs/dbraw/zinc/91/25/99/1066912599.db2.gz BIXASKHHIXAIAS-IERDGZPVSA-N 0 0 451.394 4.549 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 ZINC001448233384 1066912750 /nfs/dbraw/zinc/91/27/50/1066912750.db2.gz AAFLOISVGZCZQQ-APWZRJJASA-N 0 0 459.384 4.644 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 ZINC001448233386 1066912839 /nfs/dbraw/zinc/91/28/39/1066912839.db2.gz AAFLOISVGZCZQQ-LPHOPBHVSA-N 0 0 459.384 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3csc(Br)c3)n2Cc2ccccc2F)n1 ZINC001492737319 1066912891 /nfs/dbraw/zinc/91/28/91/1066912891.db2.gz NWEZDRCPWJYETG-UHFFFAOYSA-N 0 0 489.418 4.788 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546003971 1066913077 /nfs/dbraw/zinc/91/30/77/1066913077.db2.gz UEJQLMGRELDGNX-TWOQFEAHSA-N 0 0 475.659 4.961 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CC(F)(F)C3)n2CCc2ccc(Br)s2)n1 ZINC001492738346 1066913177 /nfs/dbraw/zinc/91/31/77/1066913177.db2.gz UTDRAFJNSLJIQX-UHFFFAOYSA-N 0 0 499.429 4.688 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492738386 1066913263 /nfs/dbraw/zinc/91/32/63/1066913263.db2.gz VPAHXABWSLLEAF-UHFFFAOYSA-N 0 0 492.672 4.734 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3c2cccc3Cl)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001457758211 1066913248 /nfs/dbraw/zinc/91/32/48/1066913248.db2.gz ZZYZXURGSJKTIR-KVSKMBFKSA-N 0 0 452.860 4.518 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001448237037 1066913462 /nfs/dbraw/zinc/91/34/62/1066913462.db2.gz AEFIURZRKSNMEJ-QHCPKHFHSA-N 0 0 458.942 4.852 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2C[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC001492739005 1066913596 /nfs/dbraw/zinc/91/35/96/1066913596.db2.gz RCTPUSKJHRRWTJ-NOZRDPDXSA-N 0 0 450.631 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492739065 1066913712 /nfs/dbraw/zinc/91/37/12/1066913712.db2.gz TWRRREXYEKPNQA-LSDHHAIUSA-N 0 0 452.447 4.822 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)N1CCN(c2cccs2)CC1 ZINC001457764241 1066913849 /nfs/dbraw/zinc/91/38/49/1066913849.db2.gz OIAFPHORTKBTIR-UHFFFAOYSA-N 0 0 454.440 4.587 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)C(=O)c2ccccc2OC)c1 ZINC001457764382 1066913880 /nfs/dbraw/zinc/91/38/80/1066913880.db2.gz PISVXBKXWXDHES-UHFFFAOYSA-N 0 0 456.907 4.503 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2C[C@H](C)Sc2ccccc2)n1 ZINC001492739237 1066913990 /nfs/dbraw/zinc/91/39/90/1066913990.db2.gz BACRJZZWORZVFL-FQEVSTJZSA-N 0 0 456.660 4.572 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)c2cc(Br)ccc2n1 ZINC001448239963 1066914019 /nfs/dbraw/zinc/91/40/19/1066914019.db2.gz AYDYIAULDLQQMV-SFHVURJKSA-N 0 0 452.352 4.846 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001492739924 1066914434 /nfs/dbraw/zinc/91/44/34/1066914434.db2.gz BDEQKZNWFAVFCQ-LJQANCHMSA-N 0 0 499.635 4.607 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC2(c3ccccc3)CCC2)n1 ZINC001492739707 1066914499 /nfs/dbraw/zinc/91/44/99/1066914499.db2.gz RPXKUEKGJBXVPV-UHFFFAOYSA-N 0 0 450.631 4.513 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001457768070 1066914757 /nfs/dbraw/zinc/91/47/57/1066914757.db2.gz WVEDCGVIBBCYIE-UHFFFAOYSA-N 0 0 459.424 4.522 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC001457768193 1066914799 /nfs/dbraw/zinc/91/47/99/1066914799.db2.gz YMSUQNHJZBZVGC-PMACEKPBSA-N 0 0 453.457 4.633 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CCc2csc(-c3ccccc3)n2)n1 ZINC001492740063 1066914824 /nfs/dbraw/zinc/91/48/24/1066914824.db2.gz HEHRWOVOHUVNDS-UHFFFAOYSA-N 0 0 493.681 4.757 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCOc2ccc(F)c(F)c2)n1 ZINC001492739988 1066915028 /nfs/dbraw/zinc/91/50/28/1066915028.db2.gz DPFVGUCVEPQKKZ-IBGZPJMESA-N 0 0 472.584 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(F)c(F)cc1Br ZINC001457769910 1066915156 /nfs/dbraw/zinc/91/51/56/1066915156.db2.gz ZWUKEBZMVZZZOP-YHWZYXNKSA-N 0 0 459.331 4.778 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001546004052 1066915201 /nfs/dbraw/zinc/91/52/01/1066915201.db2.gz VLAQBXZPSXPKDT-IBGZPJMESA-N 0 0 463.573 4.809 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001457769349 1066915224 /nfs/dbraw/zinc/91/52/24/1066915224.db2.gz YJLYADDUWLDSCH-GOOCMWNKSA-N 0 0 453.370 4.692 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001546004059 1066915232 /nfs/dbraw/zinc/91/52/32/1066915232.db2.gz VOKJHCCRCRMXMO-HOTGVXAUSA-N 0 0 453.033 4.648 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492740446 1066915315 /nfs/dbraw/zinc/91/53/15/1066915315.db2.gz VWHDPDJHAWWNPX-LJQANCHMSA-N 0 0 476.547 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2CCC2=CCCCC2)n1 ZINC001492740376 1066915362 /nfs/dbraw/zinc/91/53/62/1066915362.db2.gz SMYHAJKGCZAWQQ-UHFFFAOYSA-N 0 0 452.578 4.685 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CCC(c4cccc(Cl)c4)CC3)cc2CN1C(=O)OC(C)(C)C ZINC001448275205 1066915774 /nfs/dbraw/zinc/91/57/74/1066915774.db2.gz GJUYSVCFWTYSFF-INIZCTEOSA-N 0 0 458.990 4.696 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 ZINC001546004125 1066915818 /nfs/dbraw/zinc/91/58/18/1066915818.db2.gz WRRWMEVVACAQPF-IEBWSBKVSA-N 0 0 492.615 4.900 20 0 JJADRN O=C(NOC[C@@H]1CCOC1)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC001457772952 1066916010 /nfs/dbraw/zinc/91/60/10/1066916010.db2.gz PGHAWXNYHXOFJX-ISZGNANSSA-N 0 0 459.365 4.927 20 0 JJADRN O=C(NCCc1csc(=O)[nH]1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457772941 1066916029 /nfs/dbraw/zinc/91/60/29/1066916029.db2.gz OUFWPWCPVYOSTR-UHFFFAOYSA-N 0 0 454.349 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001448286566 1066916053 /nfs/dbraw/zinc/91/60/53/1066916053.db2.gz ZDDHGVBQRFKYGX-SFHVURJKSA-N 0 0 458.990 4.807 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457774529 1066916548 /nfs/dbraw/zinc/91/65/48/1066916548.db2.gz OXAVAFYOTZCEMU-OAHLLOKOSA-N 0 0 453.347 4.923 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCC[C@@H]3C)c2)cc1 ZINC001448298593 1066916666 /nfs/dbraw/zinc/91/66/66/1066916666.db2.gz DQYYCXVZJISVRQ-JKSUJKDBSA-N 0 0 450.988 4.706 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457774089 1066916637 /nfs/dbraw/zinc/91/66/37/1066916637.db2.gz MPRBGJYSTADQQO-KRWDZBQOSA-N 0 0 455.769 4.837 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(C)C)C3CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)n1 ZINC001492741223 1066917024 /nfs/dbraw/zinc/91/70/24/1066917024.db2.gz VXDXWMFMUCLDKU-XXBNENTESA-N 0 0 499.704 4.800 20 0 JJADRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001546004422 1066917087 /nfs/dbraw/zinc/91/70/87/1066917087.db2.gz CMZUULCZINPXGE-HOTGVXAUSA-N 0 0 455.780 4.610 20 0 JJADRN O=C(N[C@@H](CCO)Cc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC001448325479 1066917102 /nfs/dbraw/zinc/91/71/02/1066917102.db2.gz ZOFNDJLBWOHTQA-NRFANRHFSA-N 0 0 454.364 4.752 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492741525 1066917103 /nfs/dbraw/zinc/91/71/03/1066917103.db2.gz BPYGTQWTUHIMEM-SJLPKXTDSA-N 0 0 490.578 4.681 20 0 JJADRN C[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308514 1066917266 /nfs/dbraw/zinc/91/72/66/1066917266.db2.gz QJEUZRFHWYVRIJ-GDBMZVCRSA-N 0 0 455.407 4.889 20 0 JJADRN COCc1nc2sc(C(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)c(C)c2c(OC)n1 ZINC001448307645 1066917292 /nfs/dbraw/zinc/91/72/92/1066917292.db2.gz OTVJMXCFEGEPTR-UHFFFAOYSA-N 0 0 452.363 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457776811 1066917315 /nfs/dbraw/zinc/91/73/15/1066917315.db2.gz XWQWLRFUIKWUMZ-RQVMVGKASA-N 0 0 455.382 4.763 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1I ZINC001457777669 1066917454 /nfs/dbraw/zinc/91/74/54/1066917454.db2.gz DSARWSBBUHHPPQ-UHFFFAOYSA-N 0 0 458.259 4.692 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2Cc2ccc(C(C)(F)F)cc2)n1 ZINC001492741609 1066917559 /nfs/dbraw/zinc/91/75/59/1066917559.db2.gz DCIXICOTMXOJFM-HDICACEKSA-N 0 0 460.598 4.630 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001457778137 1066917819 /nfs/dbraw/zinc/91/78/19/1066917819.db2.gz GUPQAURQGHOSIE-KDOFPFPSSA-N 0 0 454.514 4.549 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(=O)[nH]c3c2)cc1 ZINC001448348542 1066917987 /nfs/dbraw/zinc/91/79/87/1066917987.db2.gz FCSSWJDPUPQJFX-HXUWFJFHSA-N 0 0 451.523 4.530 20 0 JJADRN CCNc1nc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(CC)cc2)s1 ZINC001448346503 1066918130 /nfs/dbraw/zinc/91/81/30/1066918130.db2.gz DKPWVYPEKMNJAP-IBGZPJMESA-N 0 0 458.628 4.880 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(OC)c(C)cc3C)c2)cc1 ZINC001448344883 1066918211 /nfs/dbraw/zinc/91/82/11/1066918211.db2.gz BDWGUMJBSGDIBU-UHFFFAOYSA-N 0 0 454.548 4.764 20 0 JJADRN CSc1ccccc1CN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457781211 1066918290 /nfs/dbraw/zinc/91/82/90/1066918290.db2.gz AXYAIKBNTFGZES-UHFFFAOYSA-N 0 0 458.580 4.929 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](c4ccccc4)C[C@@H]3C)n2CCSCC(C)C)n1 ZINC001492742811 1066918407 /nfs/dbraw/zinc/91/84/07/1066918407.db2.gz SQIFCOMMUZHLQZ-REWPJTCUSA-N 0 0 452.672 4.911 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](c4ccccc4)C[C@@H]3C)n2CCSCC(C)C)n1 ZINC001492742809 1066918506 /nfs/dbraw/zinc/91/85/06/1066918506.db2.gz SQIFCOMMUZHLQZ-NZQKXSOJSA-N 0 0 452.672 4.911 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](CC(C)C)n2ccnc2)cc1 ZINC001448354216 1066918533 /nfs/dbraw/zinc/91/85/33/1066918533.db2.gz MKKAQNYDSHMZKW-DHIUTWEWSA-N 0 0 454.615 4.853 20 0 JJADRN Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c2cc(F)ccc21 ZINC001448356084 1066919059 /nfs/dbraw/zinc/91/90/59/1066919059.db2.gz OUGZUUAKRAAVNM-QFIPXVFZSA-N 0 0 455.505 4.891 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2Cc2cscc2C)n1 ZINC001492744149 1066919208 /nfs/dbraw/zinc/91/92/08/1066919208.db2.gz HLAYTKGYWMGOKW-UHFFFAOYSA-N 0 0 492.493 4.879 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2CCc2cc(C(F)(F)F)ccn2)n1 ZINC001492744136 1066919259 /nfs/dbraw/zinc/91/92/59/1066919259.db2.gz HFOMOMJPCMAAKL-UHFFFAOYSA-N 0 0 475.563 4.669 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H](C)Oc2cccc(F)c2)n1 ZINC001492743722 1066919327 /nfs/dbraw/zinc/91/93/27/1066919327.db2.gz VUFDKMHBTPMHOQ-FQEVSTJZSA-N 0 0 466.605 4.929 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)cc(NC2CC2)n1 ZINC001448358045 1066919572 /nfs/dbraw/zinc/91/95/72/1066919572.db2.gz SIUBRIDAMXMGTO-OAQYLSRUSA-N 0 0 454.546 4.538 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1oc2ccc(OC)cc2c1C ZINC001457786420 1066919514 /nfs/dbraw/zinc/91/95/14/1066919514.db2.gz ZVKYUVMBPMTMEF-SFHVURJKSA-N 0 0 450.318 4.961 20 0 JJADRN CCCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(CC)cc2)c(C)n1 ZINC001448360850 1066919768 /nfs/dbraw/zinc/91/97/68/1066919768.db2.gz XHXBYQXWJAGDEO-QHCPKHFHSA-N 0 0 454.615 4.988 20 0 JJADRN O=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N(CCO)Cc1cccnc1Cl ZINC001448358838 1066919779 /nfs/dbraw/zinc/91/97/79/1066919779.db2.gz RWEMNDROCGAAOA-UHFFFAOYSA-N 0 0 451.741 4.815 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001492744442 1066920084 /nfs/dbraw/zinc/92/00/84/1066920084.db2.gz OVQMMEVSGUWHBM-OXJNMPFZSA-N 0 0 468.568 4.514 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC3CCCC3)c2)cn1 ZINC001457788260 1066920277 /nfs/dbraw/zinc/92/02/77/1066920277.db2.gz GIYONIYLLLNLQL-SANMLTNESA-N 0 0 458.558 4.796 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC001448368465 1066920315 /nfs/dbraw/zinc/92/03/15/1066920315.db2.gz FOGIDILILRQYHV-GOTSBHOMSA-N 0 0 454.567 4.688 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2COc3ccc(Cl)cc32)[C@H]1c1ccc(OC)cc1 ZINC001457789033 1066920756 /nfs/dbraw/zinc/92/07/56/1066920756.db2.gz LBTHOLFAGLAKSE-ZCVJKFOLSA-N 0 0 456.970 4.678 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC001448371036 1066920712 /nfs/dbraw/zinc/92/07/12/1066920712.db2.gz HWRMSQQIOVHYPN-OALUTQOASA-N 0 0 451.304 4.534 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1)C(C)(C)C ZINC001448380083 1066920775 /nfs/dbraw/zinc/92/07/75/1066920775.db2.gz ICQQOAGXRYOUML-INIZCTEOSA-N 0 0 454.543 4.834 20 0 JJADRN CC1(C)OC(=O)c2c1cccc2C(=O)Nc1cc(O)c(Br)cc1Br ZINC001457790596 1066921074 /nfs/dbraw/zinc/92/10/74/1066921074.db2.gz XEVSHORJNHLWEW-UHFFFAOYSA-N 0 0 455.102 4.575 20 0 JJADRN O=C(N1CCc2c(F)cc(Br)cc2C1)C1(c2cccc(Br)c2)CC1 ZINC001457789710 1066921138 /nfs/dbraw/zinc/92/11/38/1066921138.db2.gz MPGRRYBEIYXIMR-UHFFFAOYSA-N 0 0 453.149 4.967 20 0 JJADRN O=C(Nc1cc(O)c(Br)cc1Br)C(F)(F)c1cc(F)cc(F)c1 ZINC001457789597 1066921204 /nfs/dbraw/zinc/92/12/04/1066921204.db2.gz VHTBDZXWXIYCAI-UHFFFAOYSA-N 0 0 457.015 4.926 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001448380706 1066921143 /nfs/dbraw/zinc/92/11/43/1066921143.db2.gz BTDWYRCYQPDZIK-IYARVYRRSA-N 0 0 458.393 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)CCCC[C@H]12 ZINC001448382435 1066921211 /nfs/dbraw/zinc/92/12/11/1066921211.db2.gz YYSFJOWDATVPQU-ZUVQJFRASA-N 0 0 458.599 4.877 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1)C(C)(C)C ZINC001448380090 1066921288 /nfs/dbraw/zinc/92/12/88/1066921288.db2.gz ICQQOAGXRYOUML-MRXNPFEDSA-N 0 0 454.543 4.834 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457790852 1066921929 /nfs/dbraw/zinc/92/19/29/1066921929.db2.gz NNOIDUFPEOBLKQ-LBPRGKRZSA-N 0 0 453.262 4.866 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCOc2ccccc2Cl)n1 ZINC001492746621 1066922124 /nfs/dbraw/zinc/92/21/24/1066922124.db2.gz CCPCCMGUTVKCNT-UHFFFAOYSA-N 0 0 487.048 4.656 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2Cc2ccccc2OC(F)F)n1 ZINC001492747074 1066922292 /nfs/dbraw/zinc/92/22/92/1066922292.db2.gz OQAPZYCGWUZSFE-UHFFFAOYSA-N 0 0 488.583 4.573 20 0 JJADRN CC1(C)COc2ccc(C(=O)N[C@H](CO)c3ccc(Br)cc3C(F)(F)F)cc21 ZINC001448389980 1066922402 /nfs/dbraw/zinc/92/24/02/1066922402.db2.gz MOZUUOZAIQNLAR-MRXNPFEDSA-N 0 0 458.274 4.601 20 0 JJADRN CC1(C)COc2ccc(C(=O)N[C@@H](CO)c3ccc(Br)cc3C(F)(F)F)cc21 ZINC001448389977 1066922476 /nfs/dbraw/zinc/92/24/76/1066922476.db2.gz MOZUUOZAIQNLAR-INIZCTEOSA-N 0 0 458.274 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC001448389825 1066922482 /nfs/dbraw/zinc/92/24/82/1066922482.db2.gz LZAJUKJPMVJLFV-ZCNNSNEGSA-N 0 0 463.416 4.658 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2Cc2cccc(C(C)(F)F)c2)n1 ZINC001492747782 1066922641 /nfs/dbraw/zinc/92/26/41/1066922641.db2.gz LYFUNNNDAHGHKV-UHFFFAOYSA-N 0 0 491.384 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccs3)n2)[C@H](c2cccnc2)C1 ZINC001448397691 1066922839 /nfs/dbraw/zinc/92/28/39/1066922839.db2.gz DDLZBLMASIAHFL-KRWDZBQOSA-N 0 0 456.593 4.701 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001448397757 1066922895 /nfs/dbraw/zinc/92/28/95/1066922895.db2.gz SXDXTGJRYNAQOQ-JJRVBVJISA-N 0 0 464.228 4.699 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)CC3)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492748707 1066923010 /nfs/dbraw/zinc/92/30/10/1066923010.db2.gz MBABURYPILUPSW-KRWDZBQOSA-N 0 0 490.578 4.682 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001492748087 1066923042 /nfs/dbraw/zinc/92/30/42/1066923042.db2.gz WGJWSUDPXRHVMS-VWLOTQADSA-N 0 0 471.049 4.543 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492748284 1066923093 /nfs/dbraw/zinc/92/30/93/1066923093.db2.gz AWKVTSGNVLFKBE-INIZCTEOSA-N 0 0 462.520 4.713 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC001448399197 1066923196 /nfs/dbraw/zinc/92/31/96/1066923196.db2.gz KDAXYKALHRPQLG-GOSISDBHSA-N 0 0 453.421 4.925 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(NCCc3ccccn3)cc2)C(C)(C)C1 ZINC001448400863 1066923209 /nfs/dbraw/zinc/92/32/09/1066923209.db2.gz HUSMKQHPHXIJOM-JOCHJYFZSA-N 0 0 452.599 4.502 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492748882 1066923456 /nfs/dbraw/zinc/92/34/56/1066923456.db2.gz QCFOVSBXQBMWAK-GOSISDBHSA-N 0 0 490.574 4.893 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F ZINC001448403729 1066923587 /nfs/dbraw/zinc/92/35/87/1066923587.db2.gz ZDQZKLZTKHPTRU-LBPRGKRZSA-N 0 0 458.608 4.863 20 0 JJADRN O=C(c1ccc(NCCn2ccnc2)cc1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448403609 1066923715 /nfs/dbraw/zinc/92/37/15/1066923715.db2.gz YXWSONAQHFVNDA-UHFFFAOYSA-N 0 0 453.384 4.778 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c(OC)c1OC ZINC001457804675 1066924057 /nfs/dbraw/zinc/92/40/57/1066924057.db2.gz UPRFBODFYVAEIG-UHFFFAOYSA-N 0 0 459.502 4.857 20 0 JJADRN CC1N=NC(=S)N1c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001457804134 1066924089 /nfs/dbraw/zinc/92/40/89/1066924089.db2.gz IEXAJENQIGADHQ-LJQANCHMSA-N 0 0 459.616 4.667 20 0 JJADRN C[C@@](NC(=O)c1csc(-c2cccc(Cl)c2)n1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001457804638 1066924148 /nfs/dbraw/zinc/92/41/48/1066924148.db2.gz MGBXLLOOPALQTO-IBGZPJMESA-N 0 0 453.873 4.613 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2csc(N(C)c3ccccc3)n2)c1 ZINC001448404334 1066924091 /nfs/dbraw/zinc/92/40/91/1066924091.db2.gz PSFCHKDCLGYTIP-UHFFFAOYSA-N 0 0 458.609 4.550 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492749283 1066924278 /nfs/dbraw/zinc/92/42/78/1066924278.db2.gz XNPYENHCIMFUHA-IBGZPJMESA-N 0 0 460.548 4.672 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC001457805671 1066924407 /nfs/dbraw/zinc/92/44/07/1066924407.db2.gz SQPJUFXYIRLMHQ-HOCLYGCPSA-N 0 0 450.398 4.854 20 0 JJADRN CC/C(=C\C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)c1ccc(OC)cc1 ZINC001448408091 1066924524 /nfs/dbraw/zinc/92/45/24/1066924524.db2.gz UMRAPJNAORNFNG-WNLUNTPQSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492749628 1066924479 /nfs/dbraw/zinc/92/44/79/1066924479.db2.gz FXZKDZNRDZHLDS-FQEVSTJZSA-N 0 0 455.676 4.761 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](n4nc(C)cc4C)C3)n2CCCSCC(C)C)n1 ZINC001492749525 1066924505 /nfs/dbraw/zinc/92/45/05/1066924505.db2.gz CKAGRPHPBSMHSN-HSZRJFAPSA-N 0 0 484.718 4.574 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C(/C)c2ccccc2OC(F)F)c1 ZINC001448406870 1066924663 /nfs/dbraw/zinc/92/46/63/1066924663.db2.gz UXRAQHXXAQVDNS-SSZFMOIBSA-N 0 0 452.523 4.717 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C)ns3)c2)cc1 ZINC001457807344 1066924966 /nfs/dbraw/zinc/92/49/66/1066924966.db2.gz RUGPJAJOODDCLS-UHFFFAOYSA-N 0 0 451.957 4.557 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001457807342 1066925004 /nfs/dbraw/zinc/92/50/04/1066925004.db2.gz YIARVAIQKALSHD-PZJWPPBQSA-N 0 0 459.384 4.688 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cc2c(cc1Br)OCO2 ZINC001457807031 1066925081 /nfs/dbraw/zinc/92/50/81/1066925081.db2.gz WOTIZFHGSYALRE-GFCCVEGCSA-N 0 0 455.146 4.691 20 0 JJADRN Cc1cc(CNC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)cc(NC(=O)OC(C)(C)C)c1 ZINC001457808501 1066925384 /nfs/dbraw/zinc/92/53/84/1066925384.db2.gz YVYXQRMZNAWCNZ-NRFANRHFSA-N 0 0 455.452 4.514 20 0 JJADRN COc1cc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c(C)c1OC ZINC001448416023 1066925456 /nfs/dbraw/zinc/92/54/56/1066925456.db2.gz NPVGUDCPNOUUCP-RDJZCZTQSA-N 0 0 450.576 4.633 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001492750599 1066925453 /nfs/dbraw/zinc/92/54/53/1066925453.db2.gz CSFQJMDJQZRQKT-INIZCTEOSA-N 0 0 460.985 4.638 20 0 JJADRN Cc1ccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c(OC[C@H]2CCCO2)c1 ZINC001457809776 1066925750 /nfs/dbraw/zinc/92/57/50/1066925750.db2.gz IWMXUXUBOGOLRL-JOCHJYFZSA-N 0 0 454.567 4.759 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001546005934 1066925877 /nfs/dbraw/zinc/92/58/77/1066925877.db2.gz MBTJHNSJQGZLBO-FGZHOGPDSA-N 0 0 485.648 4.749 20 0 JJADRN COc1cc(N2CCN(C(=O)c3ccc(CSc4nc(C)cs4)cc3)CC2)ccc1F ZINC001448416680 1066925989 /nfs/dbraw/zinc/92/59/89/1066925989.db2.gz VLGATQBMIXRQQZ-UHFFFAOYSA-N 0 0 457.596 4.854 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001546005936 1066926011 /nfs/dbraw/zinc/92/60/11/1066926011.db2.gz MBTJHNSJQGZLBO-YADHBBJMSA-N 0 0 485.648 4.749 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457813490 1066926238 /nfs/dbraw/zinc/92/62/38/1066926238.db2.gz FOSNYMIZZAMTLQ-LAUBAEHRSA-N 0 0 459.384 4.688 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)c(OC[C@@H]2CCCO2)c1 ZINC001457813963 1066926602 /nfs/dbraw/zinc/92/66/02/1066926602.db2.gz NOMQLPXESHTMQJ-AEFFLSMTSA-N 0 0 452.473 4.516 20 0 JJADRN O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccccc1Br)C1CCCC1 ZINC001457813675 1066926708 /nfs/dbraw/zinc/92/67/08/1066926708.db2.gz CTVBCCOTYQFTTM-UHFFFAOYSA-N 0 0 456.336 4.906 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)c(OC[C@H]2CCCO2)c1 ZINC001457813976 1066926733 /nfs/dbraw/zinc/92/67/33/1066926733.db2.gz NOMQLPXESHTMQJ-SJLPKXTDSA-N 0 0 452.473 4.516 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492754134 1066926795 /nfs/dbraw/zinc/92/67/95/1066926795.db2.gz QXDOIRCFQAJMGW-AJTFRIOCSA-N 0 0 480.657 4.557 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3ccc(OC(F)F)cc3F)cccc2C1 ZINC001448431697 1066926825 /nfs/dbraw/zinc/92/68/25/1066926825.db2.gz CELWIEDBWBMGFD-UHFFFAOYSA-N 0 0 450.457 4.902 20 0 JJADRN Cc1cc([C@@H](CC(=O)NN2CCC(C(C)(C)C)CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457815590 1066927015 /nfs/dbraw/zinc/92/70/15/1066927015.db2.gz BMOUIATYDATFBG-GOSISDBHSA-N 0 0 453.027 4.789 20 0 JJADRN COc1ccccc1CC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457815457 1066927189 /nfs/dbraw/zinc/92/71/89/1066927189.db2.gz DPKXIWIFXDVUNI-UHFFFAOYSA-N 0 0 450.966 4.819 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2CCCCOC(C)C)n1 ZINC001492755153 1066927235 /nfs/dbraw/zinc/92/72/35/1066927235.db2.gz QXSIHPOOVRBQGP-QHCPKHFHSA-N 0 0 487.048 4.576 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccccc4Br)C3)n2CCC(C)C)n1 ZINC001492755034 1066927251 /nfs/dbraw/zinc/92/72/51/1066927251.db2.gz PBKHMLUGAOQJJZ-NRFANRHFSA-N 0 0 487.446 4.526 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492755221 1066927280 /nfs/dbraw/zinc/92/72/80/1066927280.db2.gz SKWBYONTYRXRQM-QFIPXVFZSA-N 0 0 454.594 4.539 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)[nH]n1 ZINC001457817218 1066927446 /nfs/dbraw/zinc/92/74/46/1066927446.db2.gz FUWLVUGTUHODTH-UHFFFAOYSA-N 0 0 452.986 4.902 20 0 JJADRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001457819021 1066927907 /nfs/dbraw/zinc/92/79/07/1066927907.db2.gz YSQVAHOQGNHLLL-UHFFFAOYSA-N 0 0 453.321 4.779 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3cccs3)C2)n1 ZINC001492756417 1066927949 /nfs/dbraw/zinc/92/79/49/1066927949.db2.gz ADLPVOXAXYKJIQ-PXNSSMCTSA-N 0 0 455.676 4.641 20 0 JJADRN COc1cccc(-n2cc(C(=O)N(Cc3ccccc3Br)C3CCCC3)nn2)c1 ZINC001457820887 1066928048 /nfs/dbraw/zinc/92/80/48/1066928048.db2.gz QTHRQCQQUYIAMK-UHFFFAOYSA-N 0 0 455.356 4.623 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC001492756386 1066928053 /nfs/dbraw/zinc/92/80/53/1066928053.db2.gz ZFWKXOHJYAIVJR-ROUUACIJSA-N 0 0 470.609 4.840 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)OC ZINC001546006042 1066928118 /nfs/dbraw/zinc/92/81/18/1066928118.db2.gz OAGARBDOUIHEBC-FPOVZHCZSA-N 0 0 464.557 4.615 20 0 JJADRN Cc1c(NC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001448444060 1066928168 /nfs/dbraw/zinc/92/81/68/1066928168.db2.gz FCLOYJJILGMCTG-QFIPXVFZSA-N 0 0 454.546 4.554 20 0 JJADRN Cc1nc(SCC(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)[nH]c1Cc1ccccc1 ZINC001457823368 1066928461 /nfs/dbraw/zinc/92/84/61/1066928461.db2.gz QOCPPAGBWHJGQG-VWLOTQADSA-N 0 0 458.587 4.825 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)ccc1Cl ZINC001448444927 1066928505 /nfs/dbraw/zinc/92/85/05/1066928505.db2.gz DPBPOACGJLHQOK-PIPMEXSNSA-N 0 0 458.986 4.935 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492757181 1066928392 /nfs/dbraw/zinc/92/83/92/1066928392.db2.gz BWHAWUJDISYKHC-IBGZPJMESA-N 0 0 471.053 4.801 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccccc3OC(C)C)C2)n1 ZINC001492756750 1066928536 /nfs/dbraw/zinc/92/85/36/1066928536.db2.gz LIELDLLLWFPWMP-NRFANRHFSA-N 0 0 465.646 4.536 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3Cc3ccccc3OC(F)F)CC2)n1 ZINC001492757333 1066928777 /nfs/dbraw/zinc/92/87/77/1066928777.db2.gz DXUURXVCTOIAEU-UHFFFAOYSA-N 0 0 458.557 4.781 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)CCN2)cc1 ZINC001448449091 1066928798 /nfs/dbraw/zinc/92/87/98/1066928798.db2.gz JQDMCMOORFRQOX-NRFANRHFSA-N 0 0 451.567 4.797 20 0 JJADRN Cc1ccc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)c(OC[C@H]2CCCO2)c1 ZINC001457826882 1066928846 /nfs/dbraw/zinc/92/88/46/1066928846.db2.gz ZHJXYGHUHXMFFU-MRCUYLHHSA-N 0 0 472.626 4.739 20 0 JJADRN CCCOc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2Br)cc1OCCC ZINC001448451740 1066929263 /nfs/dbraw/zinc/92/92/63/1066929263.db2.gz DENLTVPJOFLJHS-JOCHJYFZSA-N 0 0 450.373 4.664 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)CC2)n1 ZINC001492758219 1066929818 /nfs/dbraw/zinc/92/98/18/1066929818.db2.gz XPULTFQLIOBVMY-UHFFFAOYSA-N 0 0 450.631 4.827 20 0 JJADRN CC1(C)C[C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC001457830159 1066929774 /nfs/dbraw/zinc/92/97/74/1066929774.db2.gz YMPNSBHZHGRDTF-NRFANRHFSA-N 0 0 457.412 4.875 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)(F)F)n3)CC2)n1 ZINC001492758258 1066930031 /nfs/dbraw/zinc/93/00/31/1066930031.db2.gz YJZLTSUEHMWWCE-UHFFFAOYSA-N 0 0 461.536 4.594 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)CC2)n1 ZINC001492758363 1066930057 /nfs/dbraw/zinc/93/00/57/1066930057.db2.gz BAXWEWGVTSNVOH-UHFFFAOYSA-N 0 0 485.677 4.580 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3nc(C(C)(C)C)cs3)C2)n1 ZINC001492758281 1066930133 /nfs/dbraw/zinc/93/01/33/1066930133.db2.gz ZBOQVJYPCZUTER-LJQANCHMSA-N 0 0 484.718 4.794 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4)n3CCOCCC(C)C)CC2)n1 ZINC001492758444 1066930179 /nfs/dbraw/zinc/93/01/79/1066930179.db2.gz DFGICBNHWMMOFH-UHFFFAOYSA-N 0 0 450.631 4.738 20 0 JJADRN Cc1cc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2n1 ZINC001457834586 1066930555 /nfs/dbraw/zinc/93/05/55/1066930555.db2.gz QXBMHZVPWFWQQN-UHFFFAOYSA-N 0 0 456.359 4.839 20 0 JJADRN O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cc(=O)[nH]cc1Br ZINC001448473796 1066930598 /nfs/dbraw/zinc/93/05/98/1066930598.db2.gz JKNCGOADFJZOPM-UHFFFAOYSA-N 0 0 457.715 4.853 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3cc([C@@H](O)c4ccccn4)ccc3C)cc2)c1 ZINC001448467802 1066930761 /nfs/dbraw/zinc/93/07/61/1066930761.db2.gz PXZJATFBYIINBU-HHHXNRCGSA-N 0 0 452.510 4.964 20 0 JJADRN NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)ccn1 ZINC001448475921 1066931118 /nfs/dbraw/zinc/93/11/18/1066931118.db2.gz BEPPVQIFRUPMOI-UHFFFAOYSA-N 0 0 456.738 4.609 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccccc4C)n3CCCOC(F)(F)F)CC2)n1 ZINC001492758934 1066931144 /nfs/dbraw/zinc/93/11/44/1066931144.db2.gz QJJMRQXPUGMJDU-UHFFFAOYSA-N 0 0 490.574 4.834 20 0 JJADRN O=C(CC1CCN(CC(F)F)CC1)Nc1nc(Cc2ccccc2Br)cs1 ZINC001546094607 1066931159 /nfs/dbraw/zinc/93/11/59/1066931159.db2.gz RFEDMNCUTRPRHA-UHFFFAOYSA-N 0 0 458.372 4.802 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)c1 ZINC001546006824 1066931804 /nfs/dbraw/zinc/93/18/04/1066931804.db2.gz BTAIMSBRWKIIKJ-ZJSXRUAMSA-N 0 0 451.611 4.854 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCc3cccnc32)CC[C@H]1c1ccc(F)cc1 ZINC001457846720 1066931888 /nfs/dbraw/zinc/93/18/88/1066931888.db2.gz BWDRHIPOZDXNTM-FDFHNCONSA-N 0 0 453.558 4.550 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)c(O)c1 ZINC001457849601 1066932009 /nfs/dbraw/zinc/93/20/09/1066932009.db2.gz AIPXOAAVSVFWBW-UHFFFAOYSA-N 0 0 453.470 4.509 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448489157 1066932382 /nfs/dbraw/zinc/93/23/82/1066932382.db2.gz NSXNAELRBHQGCG-DBVUQKKJSA-N 0 0 455.521 4.755 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC001448488393 1066932415 /nfs/dbraw/zinc/93/24/15/1066932415.db2.gz UPWRKMNNYLEUIE-DYESRHJHSA-N 0 0 460.456 4.571 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001546006901 1066932427 /nfs/dbraw/zinc/93/24/27/1066932427.db2.gz FFQPVVXKQWMDDE-FIXSFTCYSA-N 0 0 455.643 4.768 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCCOc3ccc(Cl)cn3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001457860407 1066932907 /nfs/dbraw/zinc/93/29/07/1066932907.db2.gz FVKFGSFXEJYIIR-UHFFFAOYSA-N 0 0 453.930 4.746 20 0 JJADRN C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001448493810 1066933034 /nfs/dbraw/zinc/93/30/34/1066933034.db2.gz FHSBRGVWMABOIP-SWLSCSKDSA-N 0 0 455.502 4.701 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)n1 ZINC001492760719 1066933082 /nfs/dbraw/zinc/93/30/82/1066933082.db2.gz ORXRHBRDSWXKBH-FQEVSTJZSA-N 0 0 481.576 4.702 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@@H]2C)n1 ZINC001492760587 1066933161 /nfs/dbraw/zinc/93/31/61/1066933161.db2.gz KLCLWVYKGQIEJB-QAPCUYQASA-N 0 0 457.420 4.846 20 0 JJADRN COc1c(N)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc(Cl)c1Br ZINC001448492403 1066933074 /nfs/dbraw/zinc/93/30/74/1066933074.db2.gz ANPGZCRVSZWDDU-RXMQYKEDSA-N 0 0 458.687 4.660 20 0 JJADRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457863501 1066933164 /nfs/dbraw/zinc/93/31/64/1066933164.db2.gz IGADKRSOBJGCBL-MAUKXSAKSA-N 0 0 455.352 4.588 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)NCCCc2cc3c(cc(OC)cc3OC)[nH]2)c(Cl)c1 ZINC001457862711 1066933233 /nfs/dbraw/zinc/93/32/33/1066933233.db2.gz SXGTURSOJFAYCV-UHFFFAOYSA-N 0 0 459.930 4.770 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccoc2)n1 ZINC001492760731 1066933484 /nfs/dbraw/zinc/93/34/84/1066933484.db2.gz PEOOGJNJSUFQNS-UHFFFAOYSA-N 0 0 469.387 4.841 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCC(C)C)C2)n1 ZINC001492760828 1066933601 /nfs/dbraw/zinc/93/36/01/1066933601.db2.gz TUUNMMCNKPKOJS-QFIPXVFZSA-N 0 0 457.022 4.753 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NCCc2ccccc2OC(F)(F)F)c1F ZINC001457868444 1066933682 /nfs/dbraw/zinc/93/36/82/1066933682.db2.gz HBBMFMXKEFTBKF-UHFFFAOYSA-N 0 0 450.226 4.858 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001492760925 1066933930 /nfs/dbraw/zinc/93/39/30/1066933930.db2.gz WUXKGADGOTWXLT-SFHVURJKSA-N 0 0 451.525 4.719 20 0 JJADRN O=C(CCN1CSCCSC1)Nc1nc(Cc2ccccc2Br)cs1 ZINC001546094737 1066934043 /nfs/dbraw/zinc/93/40/43/1066934043.db2.gz WSSZKFBBXDNSGG-UHFFFAOYSA-N 0 0 458.472 4.522 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)cc1F ZINC001457872970 1066934074 /nfs/dbraw/zinc/93/40/74/1066934074.db2.gz GCDDVSAXGYSJMU-MRXNPFEDSA-N 0 0 452.530 4.793 20 0 JJADRN Cc1ccc(I)c(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC001448504431 1066934111 /nfs/dbraw/zinc/93/41/11/1066934111.db2.gz WGHLXRBGFWQJCI-UHFFFAOYSA-N 0 0 452.292 4.792 20 0 JJADRN COc1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc(Br)c1OC ZINC001448503612 1066934227 /nfs/dbraw/zinc/93/42/27/1066934227.db2.gz RAVWLBYFOFHBQA-UHFFFAOYSA-N 0 0 451.317 4.659 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001492761504 1066934258 /nfs/dbraw/zinc/93/42/58/1066934258.db2.gz ORYXHPGNEVWTGV-QHCPKHFHSA-N 0 0 468.621 4.696 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C(C)C)C2)n1 ZINC001492761927 1066934706 /nfs/dbraw/zinc/93/47/06/1066934706.db2.gz AIKQIJJXBHQYPP-QHCPKHFHSA-N 0 0 452.672 4.659 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001448511480 1066934982 /nfs/dbraw/zinc/93/49/82/1066934982.db2.gz SSMVBONNWRFFCD-UAPYVXQJSA-N 0 0 459.468 4.592 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](CC(C)C)C2)n1 ZINC001492762372 1066935061 /nfs/dbraw/zinc/93/50/61/1066935061.db2.gz PIHMQVCDWFOCGF-ZLNRFVROSA-N 0 0 499.704 4.825 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001448509770 1066935121 /nfs/dbraw/zinc/93/51/21/1066935121.db2.gz DFIIQYIFLJUTQG-JOCHJYFZSA-N 0 0 458.967 4.601 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CC[C@@H](COCc4ccccc4)C3)nnc2C(C)(C)C)n1 ZINC001492762456 1066935316 /nfs/dbraw/zinc/93/53/16/1066935316.db2.gz RYJPDTQSQRVJMC-HSZRJFAPSA-N 0 0 450.631 4.522 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)CC2)c1 ZINC001546007304 1066935504 /nfs/dbraw/zinc/93/55/04/1066935504.db2.gz RKXXDJZWDULDHW-JWQCQUIFSA-N 0 0 477.649 4.678 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC001457884516 1066936043 /nfs/dbraw/zinc/93/60/43/1066936043.db2.gz KYBSDYCTJXKAPH-AZOIQLNYSA-N 0 0 456.340 4.879 20 0 JJADRN Cc1ccc(OC(F)F)c(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c1 ZINC001457885420 1066936105 /nfs/dbraw/zinc/93/61/05/1066936105.db2.gz IEURJJVSIQPGBA-HLVUACMISA-N 0 0 452.542 4.932 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(N)=O ZINC001448532501 1066936285 /nfs/dbraw/zinc/93/62/85/1066936285.db2.gz PPTHJENALBWBOS-HXUWFJFHSA-N 0 0 455.986 4.784 20 0 JJADRN Cc1ccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)c(O[C@@H]2CCOC2)c1 ZINC001457887059 1066936477 /nfs/dbraw/zinc/93/64/77/1066936477.db2.gz ZTQQFVUXOXPKQA-OAQYLSRUSA-N 0 0 459.633 4.727 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N(C)Cc2nccs2)s1 ZINC001492765348 1066936530 /nfs/dbraw/zinc/93/65/30/1066936530.db2.gz DHRFMMJMTGRVQH-UHFFFAOYSA-N 0 0 490.456 4.593 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001448536214 1066936849 /nfs/dbraw/zinc/93/68/49/1066936849.db2.gz FVUIMXBISUSIEX-XJKSGUPXSA-N 0 0 452.358 4.942 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cn1 ZINC001457889879 1066936808 /nfs/dbraw/zinc/93/68/08/1066936808.db2.gz DUCFYPANNFRMNR-MBSDFSHPSA-N 0 0 453.583 4.698 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cn1 ZINC001457889872 1066936831 /nfs/dbraw/zinc/93/68/31/1066936831.db2.gz DUCFYPANNFRMNR-FDDCHVKYSA-N 0 0 453.583 4.698 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C)CC2)s1 ZINC001492765421 1066937028 /nfs/dbraw/zinc/93/70/28/1066937028.db2.gz GOIDJDKMZBNQEQ-INIZCTEOSA-N 0 0 458.607 4.976 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(Br)cc1Cl ZINC001457892503 1066937363 /nfs/dbraw/zinc/93/73/63/1066937363.db2.gz ICTFSKQBYGZFNK-OAHLLOKOSA-N 0 0 450.638 4.506 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001448538053 1066937295 /nfs/dbraw/zinc/93/72/95/1066937295.db2.gz HZNFMXDOVJABOB-SGTLLEGYSA-N 0 0 453.739 4.724 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C)[C@H]2C)s1 ZINC001492765592 1066937267 /nfs/dbraw/zinc/93/72/67/1066937267.db2.gz LKDBLKAHTWTOEE-VXGBXAGGSA-N 0 0 467.462 4.797 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492765513 1066937424 /nfs/dbraw/zinc/93/74/24/1066937424.db2.gz JFNXDIHMQQDCMF-INIZCTEOSA-N 0 0 498.056 4.949 20 0 JJADRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc1 ZINC001448540043 1066937453 /nfs/dbraw/zinc/93/74/53/1066937453.db2.gz GUUCHSWGWVROCY-ZEYPLWLESA-N 0 0 454.542 4.871 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546007786 1066937533 /nfs/dbraw/zinc/93/75/33/1066937533.db2.gz FFNXNCAHLGGILO-TZIWHRDSSA-N 0 0 466.630 4.821 20 0 JJADRN CN(C)Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC001448541506 1066937985 /nfs/dbraw/zinc/93/79/85/1066937985.db2.gz QDXZTGRGIWFXBZ-LJQANCHMSA-N 0 0 454.785 4.952 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(Cl)cc1Br ZINC001457896571 1066938076 /nfs/dbraw/zinc/93/80/76/1066938076.db2.gz UYGWMZNIFCOIKE-OAHLLOKOSA-N 0 0 450.638 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC001457897982 1066938091 /nfs/dbraw/zinc/93/80/91/1066938091.db2.gz JGSJBFOWNSIABU-HWHXTQLESA-N 0 0 455.986 4.978 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)OC2CCCC2)s1 ZINC001492765866 1066938127 /nfs/dbraw/zinc/93/81/27/1066938127.db2.gz VAJOWTWOUVYANP-UHFFFAOYSA-N 0 0 450.971 4.841 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccco2)s1 ZINC001492765847 1066938135 /nfs/dbraw/zinc/93/81/35/1066938135.db2.gz UGUZHBJEKIWNGF-HNNXBMFYSA-N 0 0 456.547 4.579 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCC[C@H]3c3ccc(Br)c(F)c3)c2N1 ZINC001448544104 1066938238 /nfs/dbraw/zinc/93/82/38/1066938238.db2.gz URVLZSGSZDSRNC-HPEXNQPKSA-N 0 0 457.294 4.772 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553680 1066938824 /nfs/dbraw/zinc/93/88/24/1066938824.db2.gz QZIDWDSGBFIJIW-YJYMSZOUSA-N 0 0 458.502 4.511 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2N(C)C2CCCC2)cc1 ZINC001457900930 1066938800 /nfs/dbraw/zinc/93/88/00/1066938800.db2.gz QHURCMLWCOIOSU-UHFFFAOYSA-N 0 0 457.640 4.667 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCCC(F)(F)C2)cc1OC ZINC001457900649 1066938812 /nfs/dbraw/zinc/93/88/12/1066938812.db2.gz BRRVDVOGHXIHME-IBGZPJMESA-N 0 0 455.505 4.923 20 0 JJADRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)[C@@H]3C)c2c1 ZINC001457901842 1066938874 /nfs/dbraw/zinc/93/88/74/1066938874.db2.gz FTPZDNYGZJVPFP-JXFKEZNVSA-N 0 0 455.480 4.882 20 0 JJADRN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457899823 1066938967 /nfs/dbraw/zinc/93/89/67/1066938967.db2.gz OHNPEKHBZHDSRR-QRQCRPRQSA-N 0 0 458.320 4.786 20 0 JJADRN CCOC[C@@H](C(=O)OC)N(C)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C)cc1)CC2 ZINC001457904286 1066939217 /nfs/dbraw/zinc/93/92/17/1066939217.db2.gz HZCFTXGTQUHXAK-YEZCMDQSSA-N 0 0 458.558 4.680 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@H](C)c2ccc(Br)cc2)cc(Br)c1O ZINC001448564837 1066939234 /nfs/dbraw/zinc/93/92/34/1066939234.db2.gz GGCUVOKFDJDJLP-UVYAAXSVSA-N 0 0 455.146 4.816 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492767150 1066939732 /nfs/dbraw/zinc/93/97/32/1066939732.db2.gz IJTKDLZRDCACCX-INIZCTEOSA-N 0 0 458.607 4.661 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C)CC2)s1 ZINC001492767126 1066939782 /nfs/dbraw/zinc/93/97/82/1066939782.db2.gz HOBGIESNKTXAOL-KRWDZBQOSA-N 0 0 454.644 4.893 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C)CC2)s1 ZINC001492767127 1066939894 /nfs/dbraw/zinc/93/98/94/1066939894.db2.gz HOBGIESNKTXAOL-QGZVFWFLSA-N 0 0 454.644 4.893 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)c3cc(F)cc(F)c3)CC2)cc1 ZINC001457910517 1066940159 /nfs/dbraw/zinc/94/01/59/1066940159.db2.gz KTDAIJJAFAHVAO-INIZCTEOSA-N 0 0 451.535 4.793 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C)C2)s1 ZINC001492767611 1066940510 /nfs/dbraw/zinc/94/05/10/1066940510.db2.gz WAKVPVRZGVUYBF-KRWDZBQOSA-N 0 0 454.644 4.794 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492767577 1066940530 /nfs/dbraw/zinc/94/05/30/1066940530.db2.gz ANFYKKCMPZSVGD-MRXNPFEDSA-N 0 0 491.061 4.727 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001448589500 1066940595 /nfs/dbraw/zinc/94/05/95/1066940595.db2.gz NUXRJPSHCRHZRP-INIZCTEOSA-N 0 0 452.555 4.724 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC001448585889 1066940653 /nfs/dbraw/zinc/94/06/53/1066940653.db2.gz HDKNOLHDACFOQY-DEOSSOPVSA-N 0 0 459.933 4.854 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC)c(Br)c2)CCO1 ZINC001546095040 1066940832 /nfs/dbraw/zinc/94/08/32/1066940832.db2.gz FCCAYKYUCLDTHJ-QHCPKHFHSA-N 0 0 479.463 4.886 20 0 JJADRN Cc1nnc(CCCn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)s1 ZINC001492767777 1066940890 /nfs/dbraw/zinc/94/08/90/1066940890.db2.gz ZMZIYNJCWCBTQD-HNNXBMFYSA-N 0 0 469.565 4.532 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001492767711 1066941020 /nfs/dbraw/zinc/94/10/20/1066941020.db2.gz BYAXLTFSUIGFEA-GFCCVEGCSA-N 0 0 467.426 4.658 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)s1 ZINC001492767786 1066941043 /nfs/dbraw/zinc/94/10/43/1066941043.db2.gz ZRRKXQOEOPKSQJ-RQBNJVACSA-N 0 0 490.718 4.631 20 0 JJADRN Cc1nc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)sc1Cc1c(F)cccc1F ZINC001448609162 1066941345 /nfs/dbraw/zinc/94/13/45/1066941345.db2.gz QSYKNJCAMRJRQR-UHFFFAOYSA-N 0 0 457.502 4.829 20 0 JJADRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001448609091 1066941538 /nfs/dbraw/zinc/94/15/38/1066941538.db2.gz DIOFDUQGNVEQFV-LZWOXQAQSA-N 0 0 455.288 4.620 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2nnc(CC(F)(F)F)s2)nnc1-c1ccccc1 ZINC001457916510 1066941529 /nfs/dbraw/zinc/94/15/29/1066941529.db2.gz NCESONBRGPTJNR-LLVKDONJSA-N 0 0 456.519 4.603 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492767886 1066941503 /nfs/dbraw/zinc/94/15/03/1066941503.db2.gz GCIRONYBQWKWRS-XHSDSOJGSA-N 0 0 461.035 4.956 20 0 JJADRN Cc1nnc(CCn2c(C(C)C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)s1 ZINC001492767938 1066941537 /nfs/dbraw/zinc/94/15/37/1066941537.db2.gz HUBVVRKMPOHFTF-INIZCTEOSA-N 0 0 467.412 4.714 20 0 JJADRN Cc1nc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)sc1Cc1ccc(Cl)cc1F ZINC001448609171 1066941598 /nfs/dbraw/zinc/94/15/98/1066941598.db2.gz QVTYLSICYFQZGI-ZFWWWQNUSA-N 0 0 453.967 4.934 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492768050 1066941757 /nfs/dbraw/zinc/94/17/57/1066941757.db2.gz MAZSJNYVISKCSN-OXQOHEQNSA-N 0 0 491.061 4.725 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001457921364 1066941956 /nfs/dbraw/zinc/94/19/56/1066941956.db2.gz ARUKURLBFVNQQZ-YJBOKZPZSA-N 0 0 452.352 4.617 20 0 JJADRN CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1)OC ZINC001546008211 1066941991 /nfs/dbraw/zinc/94/19/91/1066941991.db2.gz MLYXBVZZSPUFIB-WPYKKVEZSA-N 0 0 477.049 4.682 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccc(Cl)cc1 ZINC001448614786 1066942353 /nfs/dbraw/zinc/94/23/53/1066942353.db2.gz LVQSSWJHCRMLHZ-JOCHJYFZSA-N 0 0 458.967 4.567 20 0 JJADRN COC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccc(Cl)cc1 ZINC001448614790 1066942370 /nfs/dbraw/zinc/94/23/70/1066942370.db2.gz LVQSSWJHCRMLHZ-QFIPXVFZSA-N 0 0 458.967 4.567 20 0 JJADRN Cc1nnc(CCn2c(CC(C)C)nnc2N2CCC(Nc3ccccc3Cl)CC2)s1 ZINC001492768889 1066942737 /nfs/dbraw/zinc/94/27/37/1066942737.db2.gz LARWKAVXGMTVEB-UHFFFAOYSA-N 0 0 460.051 4.614 20 0 JJADRN O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932349 1066942766 /nfs/dbraw/zinc/94/27/66/1066942766.db2.gz FEJCMHKLVAPSGK-ZDUSSCGKSA-N 0 0 457.789 4.675 20 0 JJADRN O=C(Cc1ccc(F)c(Br)c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001448618446 1066942844 /nfs/dbraw/zinc/94/28/44/1066942844.db2.gz BKUUCXJUQXIRIG-UHFFFAOYSA-N 0 0 450.739 4.710 20 0 JJADRN Cc1cccc(-c2ccc(NC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)nc2)c1 ZINC001457934647 1066943118 /nfs/dbraw/zinc/94/31/18/1066943118.db2.gz PTGPFKPTYYGSNJ-GOSISDBHSA-N 0 0 450.336 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)c2ccccc21 ZINC001448619180 1066943266 /nfs/dbraw/zinc/94/32/66/1066943266.db2.gz JSJVQKDTDXDXQW-OAHLLOKOSA-N 0 0 451.502 4.868 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)N3CCC(Nc4cccc(Br)c4)CC3)cnc21 ZINC001448619681 1066943398 /nfs/dbraw/zinc/94/33/98/1066943398.db2.gz JCLHSWZVTHZINH-UHFFFAOYSA-N 0 0 456.388 4.567 20 0 JJADRN Cc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)C2CCCCC2)s1 ZINC001492770562 1066943443 /nfs/dbraw/zinc/94/34/43/1066943443.db2.gz XGAIESDEDGUMMU-KRWDZBQOSA-N 0 0 467.643 4.760 20 0 JJADRN Cc1cc2nc(NC(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)cc(N(C)C)n2n1 ZINC001457937951 1066943811 /nfs/dbraw/zinc/94/38/11/1066943811.db2.gz PLFOYQRXUGWOMK-JOCHJYFZSA-N 0 0 453.518 4.854 20 0 JJADRN Cc1ccc(F)c(CN(C)C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001448620864 1066943903 /nfs/dbraw/zinc/94/39/03/1066943903.db2.gz LLXWCAZVWRLHRS-OAHLLOKOSA-N 0 0 453.299 4.810 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001448621015 1066943995 /nfs/dbraw/zinc/94/39/95/1066943995.db2.gz PBRCQSBFGHPOHC-MWQQHZPXSA-N 0 0 469.395 4.986 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cccs2)s1 ZINC001492771451 1066943865 /nfs/dbraw/zinc/94/38/65/1066943865.db2.gz OZABYKFQIBFIAZ-UHFFFAOYSA-N 0 0 467.443 4.675 20 0 JJADRN Cc1nnc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492771284 1066943947 /nfs/dbraw/zinc/94/39/47/1066943947.db2.gz MZQPTJJVMZPKQT-HNNXBMFYSA-N 0 0 477.034 4.674 20 0 JJADRN Cc1nnc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492771377 1066944038 /nfs/dbraw/zinc/94/40/38/1066944038.db2.gz OAMWQFDZNFWJMC-LBPRGKRZSA-N 0 0 470.496 4.544 20 0 JJADRN Cc1nnc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(OC(C)(C)C)CC2)s1 ZINC001492771262 1066944055 /nfs/dbraw/zinc/94/40/55/1066944055.db2.gz MLHIYBWALRVOAZ-OAHLLOKOSA-N 0 0 474.606 4.549 20 0 JJADRN COc1ccc(-n2nc(C(=O)N[C@H]3C[C@H](c4ccc(F)c(Br)c4)C3)cc2C)cc1 ZINC001448623083 1066944385 /nfs/dbraw/zinc/94/43/85/1066944385.db2.gz YSCIAKNRKAFODF-WKILWMFISA-N 0 0 458.331 4.767 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)C1 ZINC001448623069 1066944416 /nfs/dbraw/zinc/94/44/16/1066944416.db2.gz RQYCAAREKJWEPM-AABGKKOBSA-N 0 0 458.505 4.795 20 0 JJADRN Cc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)nn1-c1ccc(C)cc1 ZINC001448624250 1066944827 /nfs/dbraw/zinc/94/48/27/1066944827.db2.gz WEIYVWWYRWBXPA-UHFFFAOYSA-N 0 0 453.384 4.968 20 0 JJADRN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001457944475 1066945005 /nfs/dbraw/zinc/94/50/05/1066945005.db2.gz WYTRRKUESAUUHH-HPQBIULASA-N 0 0 453.391 4.665 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccoc2)s1 ZINC001492773461 1066945202 /nfs/dbraw/zinc/94/52/02/1066945202.db2.gz HEWVETWNOMXZDS-UHFFFAOYSA-N 0 0 452.584 4.592 20 0 JJADRN CC1(c2ccccc2)CC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)C1 ZINC001448628550 1066945308 /nfs/dbraw/zinc/94/53/08/1066945308.db2.gz JKWKRBKPYKOEDN-UHFFFAOYSA-N 0 0 454.979 4.991 20 0 JJADRN CS(=O)(=O)[C@@H]1CCCCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001448630122 1066945441 /nfs/dbraw/zinc/94/54/41/1066945441.db2.gz JMXOUWMZMDLOFP-IRLDBZIGSA-N 0 0 452.041 4.588 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F ZINC001457946818 1066945520 /nfs/dbraw/zinc/94/55/20/1066945520.db2.gz IULMYMZUTUFFJK-HXUWFJFHSA-N 0 0 451.281 4.751 20 0 JJADRN Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492773598 1066945684 /nfs/dbraw/zinc/94/56/84/1066945684.db2.gz LOOPAAQFBMUFBG-QGZVFWFLSA-N 0 0 479.075 4.683 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001546008368 1066945765 /nfs/dbraw/zinc/94/57/65/1066945765.db2.gz POSSQPUCSYGNDX-OAQYLSRUSA-N 0 0 466.630 4.821 20 0 JJADRN Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001492775900 1066946142 /nfs/dbraw/zinc/94/61/42/1066946142.db2.gz LXHMIVICSTVFIB-ZEDDUWKQSA-N 0 0 473.593 4.560 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)C1CCCC1 ZINC001457948997 1066946347 /nfs/dbraw/zinc/94/63/47/1066946347.db2.gz FNROUHGPOBDOBS-QFIPXVFZSA-N 0 0 454.542 4.842 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@H](c3cccc(F)c3)C2)[C@H]1c1ccc(OC)cc1 ZINC001448646300 1066946298 /nfs/dbraw/zinc/94/62/98/1066946298.db2.gz JPNWJYMHXHHPSV-PMWMKWCKSA-N 0 0 452.570 4.930 20 0 JJADRN O=C(c1cc(F)c(Br)cc1F)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001448654798 1066946753 /nfs/dbraw/zinc/94/67/53/1066946753.db2.gz VWFIYRSTMGMNEN-UHFFFAOYSA-N 0 0 454.702 4.920 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492777178 1066946932 /nfs/dbraw/zinc/94/69/32/1066946932.db2.gz PUJUGUKHAKFJLP-UYAOXDASSA-N 0 0 463.667 4.652 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001492776906 1066947042 /nfs/dbraw/zinc/94/70/42/1066947042.db2.gz JQHJFPNHGWCACZ-GGAORHGYSA-N 0 0 469.630 4.590 20 0 JJADRN CN(C(=O)CNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CCCCC1 ZINC001457952458 1066947222 /nfs/dbraw/zinc/94/72/22/1066947222.db2.gz NYJMURSHSIZBPS-UHFFFAOYSA-N 0 0 453.633 4.988 20 0 JJADRN CS(=O)(=O)Cc1ccccc1CNC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001457952811 1066947233 /nfs/dbraw/zinc/94/72/33/1066947233.db2.gz VOLIEOPZJKIXHJ-UCQKPKSFSA-N 0 0 457.954 4.881 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001457951329 1066947264 /nfs/dbraw/zinc/94/72/64/1066947264.db2.gz GCWUMYUPYNXIKH-ROUUACIJSA-N 0 0 456.505 4.879 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC001448661648 1066947341 /nfs/dbraw/zinc/94/73/41/1066947341.db2.gz LHYXZNVSBVURMF-HBFSDRIKSA-N 0 0 454.567 4.523 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC001457953468 1066947540 /nfs/dbraw/zinc/94/75/40/1066947540.db2.gz KNWKTQAMQFINQM-MRXNPFEDSA-N 0 0 454.372 4.969 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)o2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001492779917 1066947661 /nfs/dbraw/zinc/94/76/61/1066947661.db2.gz VKGIHJQVJVIWGF-UHFFFAOYSA-N 0 0 472.318 4.953 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)C1 ZINC001448669948 1066947765 /nfs/dbraw/zinc/94/77/65/1066947765.db2.gz BXSZTHXFWHZUFC-LBPRGKRZSA-N 0 0 452.420 4.935 20 0 JJADRN Cc1nnc(N(C)Cc2ccccc2Br)n1Cc1sccc1Br ZINC001492781659 1066948042 /nfs/dbraw/zinc/94/80/42/1066948042.db2.gz GSYRZWYTXDRNCS-UHFFFAOYSA-N 0 0 456.207 4.858 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448673413 1066948729 /nfs/dbraw/zinc/94/87/29/1066948729.db2.gz NYNSGXQUQPPBLX-MRXNPFEDSA-N 0 0 457.880 4.646 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448674628 1066948737 /nfs/dbraw/zinc/94/87/37/1066948737.db2.gz MAHVZFROETVHSD-QZTJIDSGSA-N 0 0 455.505 4.870 20 0 JJADRN Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492787716 1066949542 /nfs/dbraw/zinc/94/95/42/1066949542.db2.gz ADBGAWJOZWYUMT-UHFFFAOYSA-N 0 0 466.458 4.950 20 0 JJADRN CSc1cc(C(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1Br ZINC001448676853 1066949544 /nfs/dbraw/zinc/94/95/44/1066949544.db2.gz WDWCLNARNRAYQP-UHFFFAOYSA-N 0 0 455.418 4.787 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)s1 ZINC001448677437 1066949574 /nfs/dbraw/zinc/94/95/74/1066949574.db2.gz YZDBWYILGAQAFA-UHFFFAOYSA-N 0 0 455.624 4.971 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 ZINC001448679696 1066949964 /nfs/dbraw/zinc/94/99/64/1066949964.db2.gz YWPCWCKPVDMWPQ-ZCNNSNEGSA-N 0 0 459.384 4.996 20 0 JJADRN Cc1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2O)ccc1I ZINC001448680017 1066950044 /nfs/dbraw/zinc/95/00/44/1066950044.db2.gz CAXZJVYULJHDDH-UHFFFAOYSA-N 0 0 457.311 4.826 20 0 JJADRN Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492788838 1066950008 /nfs/dbraw/zinc/95/00/08/1066950008.db2.gz DKSRPDAHSITQQW-UNMCSNQZSA-N 0 0 473.618 4.545 20 0 JJADRN Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC1([S@@](C)=O)CCC1 ZINC001492788681 1066950094 /nfs/dbraw/zinc/95/00/94/1066950094.db2.gz ZCJYWAUKKWIIGA-MUUNZHRXSA-N 0 0 487.895 4.966 20 0 JJADRN Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492790251 1066950409 /nfs/dbraw/zinc/95/04/09/1066950409.db2.gz ZEJISOSFBJWJTR-LJQANCHMSA-N 0 0 466.529 4.823 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3cc4c([nH]c3=O)CCC[C@@H]4O)ccc2OC(F)F)cc1 ZINC001448684328 1066950402 /nfs/dbraw/zinc/95/04/02/1066950402.db2.gz DMCFJTIMOJOJOH-FQEVSTJZSA-N 0 0 456.445 4.686 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1C[C@H](O)Cc2ccccc21 ZINC001448680292 1066950515 /nfs/dbraw/zinc/95/05/15/1066950515.db2.gz QFMQJNIXKJQSLB-CYBMUJFWSA-N 0 0 451.114 4.522 20 0 JJADRN COCc1nc2sc(C(=O)Nc3n[nH]c(C)c3-c3ccc(Cl)cc3)c(C)c2c(OC)n1 ZINC001457977085 1066950561 /nfs/dbraw/zinc/95/05/61/1066950561.db2.gz APJBYQDJZZXZRJ-UHFFFAOYSA-N 0 0 457.943 4.759 20 0 JJADRN CCOC(=O)c1n[nH]c(C2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)CC2)n1 ZINC001448686168 1066950845 /nfs/dbraw/zinc/95/08/45/1066950845.db2.gz VDXHZXPSGSRAKO-UHFFFAOYSA-N 0 0 450.539 4.559 20 0 JJADRN Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492794036 1066950846 /nfs/dbraw/zinc/95/08/46/1066950846.db2.gz VESQJDACOONZEG-JRGCBEDISA-N 0 0 475.659 4.794 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc(OC)cc1OC ZINC001457980231 1066951225 /nfs/dbraw/zinc/95/12/25/1066951225.db2.gz FCHWSRXLVCBPIP-AWEZNQCLSA-N 0 0 451.903 4.745 20 0 JJADRN Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001492796888 1066951263 /nfs/dbraw/zinc/95/12/63/1066951263.db2.gz LLLGZNQGMXXLGO-OAQYLSRUSA-N 0 0 481.538 4.683 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001546008923 1066951291 /nfs/dbraw/zinc/95/12/91/1066951291.db2.gz ZMAASMSDIPNDAR-VXKWHMMOSA-N 0 0 496.656 4.542 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001546008924 1066951327 /nfs/dbraw/zinc/95/13/27/1066951327.db2.gz ZMAASMSDIPNDAR-YADHBBJMSA-N 0 0 496.656 4.542 20 0 JJADRN O=C(Nc1ccc2cccc(Br)c2n1)C(F)(F)c1ncccc1Br ZINC001457982087 1066951443 /nfs/dbraw/zinc/95/14/43/1066951443.db2.gz NWEAADHTDGRWBI-UHFFFAOYSA-N 0 0 457.072 4.885 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)c2C)c1 ZINC001457983222 1066951521 /nfs/dbraw/zinc/95/15/21/1066951521.db2.gz NYQBWLBAVKHIJL-UHFFFAOYSA-N 0 0 450.510 4.811 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492798626 1066951821 /nfs/dbraw/zinc/95/18/21/1066951821.db2.gz JGCMWQUOPLGZFC-AEFFLSMTSA-N 0 0 455.628 4.783 20 0 JJADRN CC(C)[C@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC001448688284 1066951860 /nfs/dbraw/zinc/95/18/60/1066951860.db2.gz IUOZCLOFIAQMGR-SVBPBHIXSA-N 0 0 451.611 4.516 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC001457984179 1066951940 /nfs/dbraw/zinc/95/19/40/1066951940.db2.gz YHHBUIDHWIQQST-CYBMUJFWSA-N 0 0 459.340 4.654 20 0 JJADRN Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492798864 1066952065 /nfs/dbraw/zinc/95/20/65/1066952065.db2.gz OASXFSVCPZNOPM-AEFFLSMTSA-N 0 0 479.316 4.590 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001492798821 1066952087 /nfs/dbraw/zinc/95/20/87/1066952087.db2.gz NBYAEXYFDOVYPD-PGRDOPGGSA-N 0 0 456.635 4.551 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492798718 1066952108 /nfs/dbraw/zinc/95/21/08/1066952108.db2.gz LDCOSAVLWQQXSJ-UCLAIMLFSA-N 0 0 496.425 4.799 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@@H](O)c1ccccc1 ZINC001448692013 1066952206 /nfs/dbraw/zinc/95/22/06/1066952206.db2.gz NSJSMHMWNRCZMW-PKTZIBPZSA-N 0 0 454.617 4.967 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001457987249 1066952452 /nfs/dbraw/zinc/95/24/52/1066952452.db2.gz BRTOYHBSGATRFN-AREMUKBSSA-N 0 0 456.586 4.785 20 0 JJADRN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC001448694985 1066952591 /nfs/dbraw/zinc/95/25/91/1066952591.db2.gz RNFPBGKEEMSDRE-RUZDIDTESA-N 0 0 455.558 4.731 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001492799032 1066952690 /nfs/dbraw/zinc/95/26/90/1066952690.db2.gz STYXWZIBWLOYOE-SNVBAGLBSA-N 0 0 453.456 4.537 20 0 JJADRN CC(C)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@@H](O)c1ccccc1 ZINC001448701276 1066952732 /nfs/dbraw/zinc/95/27/32/1066952732.db2.gz XFWSFYGZOJVTCW-SFTDATJTSA-N 0 0 450.539 4.623 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CCO1 ZINC001546095768 1066952863 /nfs/dbraw/zinc/95/28/63/1066952863.db2.gz UAARRKACEKUYRO-NVQXNPDNSA-N 0 0 451.590 4.848 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc3cccc(Br)c3n2)CCCN(C(=O)c2ccccc2)C1 ZINC001457987874 1066952893 /nfs/dbraw/zinc/95/28/93/1066952893.db2.gz YBYXOMDOPNIRNH-HSZRJFAPSA-N 0 0 452.352 4.878 20 0 JJADRN Cc1nnc(N2CCC(c3c[nH]c4ccccc43)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492802155 1066953112 /nfs/dbraw/zinc/95/31/12/1066953112.db2.gz JUULUZRDNLKSAO-SFHVURJKSA-N 0 0 466.630 4.955 20 0 JJADRN Cn1c(=O)oc2c1cccc2NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001457990030 1066953313 /nfs/dbraw/zinc/95/33/13/1066953313.db2.gz WIOXOMPSJLXFLI-UHFFFAOYSA-N 0 0 453.292 4.725 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC001448721393 1066953472 /nfs/dbraw/zinc/95/34/72/1066953472.db2.gz NSUIOHFSTDMNQM-SDHSZQHLSA-N 0 0 455.643 4.574 20 0 JJADRN O=C(NCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1)C(F)(F)F ZINC001448723195 1066953557 /nfs/dbraw/zinc/95/35/57/1066953557.db2.gz WRPHXIYIUKZNIW-UHFFFAOYSA-N 0 0 458.839 4.802 20 0 JJADRN O=C(c1c(O)cnc2ccc(Cl)cc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001457990528 1066953753 /nfs/dbraw/zinc/95/37/53/1066953753.db2.gz BDIJNLQJCAIZQK-UHFFFAOYSA-N 0 0 451.832 4.691 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001492804715 1066953926 /nfs/dbraw/zinc/95/39/26/1066953926.db2.gz OAPJNKDLQBUAQX-JOCHJYFZSA-N 0 0 491.080 4.626 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001457993513 1066954063 /nfs/dbraw/zinc/95/40/63/1066954063.db2.gz FUCNBANHOHJUJZ-RDTXWAMCSA-N 0 0 457.958 4.820 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001457993492 1066954125 /nfs/dbraw/zinc/95/41/25/1066954125.db2.gz FUCNBANHOHJUJZ-KBXCAEBGSA-N 0 0 457.958 4.820 20 0 JJADRN COCCNc1nc(CC(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)cs1 ZINC001448730735 1066954380 /nfs/dbraw/zinc/95/43/80/1066954380.db2.gz CJSMOMARMREOBS-UHFFFAOYSA-N 0 0 454.577 4.816 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001448732845 1066954653 /nfs/dbraw/zinc/95/46/53/1066954653.db2.gz HOIPDLXQAICPBZ-LSWJPFSZSA-N 0 0 452.599 4.613 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001457996892 1066954778 /nfs/dbraw/zinc/95/47/78/1066954778.db2.gz QOKXTASIFJYYIP-HBFSDRIKSA-N 0 0 453.341 4.726 20 0 JJADRN Cc1c(Br)ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1F ZINC001448736227 1066955184 /nfs/dbraw/zinc/95/51/84/1066955184.db2.gz MJYHTSHVKLTSNJ-FQEVSTJZSA-N 0 0 455.327 4.876 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1OC ZINC001448739463 1066955283 /nfs/dbraw/zinc/95/52/83/1066955283.db2.gz PPMLZQVUFWTEPU-HYEGPXJVSA-N 0 0 454.405 4.648 20 0 JJADRN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@](C)(O)CCC(C)C ZINC001492829853 1066955338 /nfs/dbraw/zinc/95/53/38/1066955338.db2.gz DOJFZLPBNBUFSQ-RUZDIDTESA-N 0 0 457.619 4.683 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492836669 1066955388 /nfs/dbraw/zinc/95/53/88/1066955388.db2.gz AXMRKADYNFKNEI-PBHICJAKSA-N 0 0 483.535 4.505 20 0 JJADRN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1Cc1ccc(Cl)nc1 ZINC001492831490 1066955431 /nfs/dbraw/zinc/95/54/31/1066955431.db2.gz VWKSVCPSAZBXHO-UHFFFAOYSA-N 0 0 454.962 4.593 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001448766442 1066956176 /nfs/dbraw/zinc/95/61/76/1066956176.db2.gz DHYJVIQNVZSCET-ZOFUNIGCSA-N 0 0 453.246 4.503 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCc4ccc(F)c(F)c43)c2)cc1 ZINC001458007019 1066956254 /nfs/dbraw/zinc/95/62/54/1066956254.db2.gz SLZIKBJBZIQPHV-UHFFFAOYSA-N 0 0 456.514 4.691 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1OC ZINC001458011040 1066956321 /nfs/dbraw/zinc/95/63/21/1066956321.db2.gz ZDCPHJFAZUBKEG-UHFFFAOYSA-N 0 0 456.498 4.636 20 0 JJADRN Nc1cc(Br)cc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1N ZINC001448773705 1066956549 /nfs/dbraw/zinc/95/65/49/1066956549.db2.gz DZQITXUZWNIVFE-GOSISDBHSA-N 0 0 458.335 4.510 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492839463 1066956644 /nfs/dbraw/zinc/95/66/44/1066956644.db2.gz UJWXTAJYDKNMRS-HOCLYGCPSA-N 0 0 485.526 4.922 20 0 JJADRN COc1ccc(C(=O)O[C@H](c2nccs2)c2ccccc2)c(I)c1 ZINC001458013900 1066956708 /nfs/dbraw/zinc/95/67/08/1066956708.db2.gz PWGGXPQVPDULSM-INIZCTEOSA-N 0 0 451.285 4.703 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)co1 ZINC001448778429 1066957085 /nfs/dbraw/zinc/95/70/85/1066957085.db2.gz RFOOPCURXDKJAL-HNNXBMFYSA-N 0 0 454.354 4.620 20 0 JJADRN COc1ccc(F)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001458016602 1066957109 /nfs/dbraw/zinc/95/71/09/1066957109.db2.gz XMQZGIXESKJVKA-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC001448785539 1066957457 /nfs/dbraw/zinc/95/74/57/1066957457.db2.gz LMSNKBHZYOSQKH-UHFFFAOYSA-N 0 0 454.398 4.955 20 0 JJADRN O=C([C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)N1CCC(O)(Cc2ccncc2)CC1 ZINC001448783899 1066957506 /nfs/dbraw/zinc/95/75/06/1066957506.db2.gz YKXSBHRTFXAUGL-QHCPKHFHSA-N 0 0 454.542 4.789 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccsc1Br ZINC001492847711 1066957627 /nfs/dbraw/zinc/95/76/27/1066957627.db2.gz KXLVKUPRIPZZLQ-OAHLLOKOSA-N 0 0 484.464 4.542 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492848903 1066958004 /nfs/dbraw/zinc/95/80/04/1066958004.db2.gz QRCNXVWUOCOTKT-PWRODBHTSA-N 0 0 477.694 4.900 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3nc4ccccc4s3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492848285 1066958061 /nfs/dbraw/zinc/95/80/61/1066958061.db2.gz NZVMJLHEDNUHOV-AEFFLSMTSA-N 0 0 470.643 4.836 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC001448799295 1066958523 /nfs/dbraw/zinc/95/85/23/1066958523.db2.gz USYYATKUTIOFOV-CQSZACIVSA-N 0 0 454.395 4.528 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1NC(=O)N(C)C ZINC001448800571 1066958616 /nfs/dbraw/zinc/95/86/16/1066958616.db2.gz RSPWTCSXRPLLCA-UWJYYQICSA-N 0 0 454.571 4.929 20 0 JJADRN CC(C)(C)c1ccc(C2(CNC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CCCC2)cc1 ZINC001546009623 1066958657 /nfs/dbraw/zinc/95/86/57/1066958657.db2.gz UBFCINJBXCKBIY-UHFFFAOYSA-N 0 0 452.002 4.919 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001448814323 1066959459 /nfs/dbraw/zinc/95/94/59/1066959459.db2.gz IGCXAKLLYYMTSE-LJQANCHMSA-N 0 0 455.352 4.651 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001492902741 1066959914 /nfs/dbraw/zinc/95/99/14/1066959914.db2.gz XEXWMQCPYMPSLC-QFIPXVFZSA-N 0 0 458.532 4.767 20 0 JJADRN O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1oc2ccccc2c1CSc1ncccn1 ZINC001448821502 1066959961 /nfs/dbraw/zinc/95/99/61/1066959961.db2.gz GRTGXEDYYMWKSQ-GOSISDBHSA-N 0 0 457.914 4.771 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001492902837 1066960027 /nfs/dbraw/zinc/96/00/27/1066960027.db2.gz YHWXVKXJRJLESY-UTKZUKDTSA-N 0 0 451.537 4.527 20 0 JJADRN CSc1cc(C(=O)N2CCOc3c(Br)cccc3C2)ccc1Br ZINC001448828138 1066960355 /nfs/dbraw/zinc/96/03/55/1066960355.db2.gz NBEXLIFHNORIDA-UHFFFAOYSA-N 0 0 457.187 4.968 20 0 JJADRN CCc1c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cnn1C(CC)CC ZINC001448831653 1066960723 /nfs/dbraw/zinc/96/07/23/1066960723.db2.gz ACSJFXGPYVDJLH-UHFFFAOYSA-N 0 0 455.609 4.945 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492940869 1066960851 /nfs/dbraw/zinc/96/08/51/1066960851.db2.gz DPSZNMLGLYSAOH-HLAWJBBLSA-N 0 0 478.584 4.996 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001458049178 1066961127 /nfs/dbraw/zinc/96/11/27/1066961127.db2.gz NZEHYMCGOCOVMN-NSHDSACASA-N 0 0 451.283 4.571 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001492943941 1066961175 /nfs/dbraw/zinc/96/11/75/1066961175.db2.gz SBJOZMLDESCFJS-SFHVURJKSA-N 0 0 499.349 4.580 20 0 JJADRN COc1ccccc1-c1nnc(CC(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)o1 ZINC001448836245 1066961194 /nfs/dbraw/zinc/96/11/94/1066961194.db2.gz LHLKOFGKDZXCEX-UHFFFAOYSA-N 0 0 451.914 4.889 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2)cc1 ZINC001448833678 1066961208 /nfs/dbraw/zinc/96/12/08/1066961208.db2.gz BIZFPMSULTUWSM-YLJYHZDGSA-N 0 0 456.587 4.697 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2)cc1 ZINC001448833654 1066961219 /nfs/dbraw/zinc/96/12/19/1066961219.db2.gz BIZFPMSULTUWSM-PXNSSMCTSA-N 0 0 456.587 4.697 20 0 JJADRN CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCOc3c(Br)cccc3C2)n1 ZINC001448833589 1066961290 /nfs/dbraw/zinc/96/12/90/1066961290.db2.gz TVPXBGOTUONNAP-UHFFFAOYSA-N 0 0 456.340 4.831 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2)cc1 ZINC001448833643 1066961344 /nfs/dbraw/zinc/96/13/44/1066961344.db2.gz BIZFPMSULTUWSM-FXAWDEMLSA-N 0 0 456.587 4.697 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cnc2ccnn2c1C(F)F ZINC001458050913 1066961614 /nfs/dbraw/zinc/96/16/14/1066961614.db2.gz YSJXUNVKNNQHKN-UHFFFAOYSA-N 0 0 451.149 4.580 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492949335 1066961806 /nfs/dbraw/zinc/96/18/06/1066961806.db2.gz SWCRDTBAKVIAQH-OAHLLOKOSA-N 0 0 486.951 4.795 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC001546096863 1066961777 /nfs/dbraw/zinc/96/17/77/1066961777.db2.gz WEUJAULFGLVNMA-UHFFFAOYSA-N 0 0 456.589 4.520 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC001448840124 1066962032 /nfs/dbraw/zinc/96/20/32/1066962032.db2.gz HJIBPAVEPPWREG-ZCYQVOJMSA-N 0 0 450.604 4.929 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001492956530 1066962152 /nfs/dbraw/zinc/96/21/52/1066962152.db2.gz SFRHKEMEGWCZEV-CYBMUJFWSA-N 0 0 486.589 4.636 20 0 JJADRN Cc1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492966596 1066962197 /nfs/dbraw/zinc/96/21/97/1066962197.db2.gz WVVPWXHXHVRTLZ-INIZCTEOSA-N 0 0 470.643 4.683 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CCN1C(=O)OC(C)(C)C ZINC001448841919 1066962452 /nfs/dbraw/zinc/96/24/52/1066962452.db2.gz JUXQIVHOYGOGEV-HUUCEWRRSA-N 0 0 453.605 4.637 20 0 JJADRN O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(I)ccc1F ZINC001458054979 1066962530 /nfs/dbraw/zinc/96/25/30/1066962530.db2.gz JQZDJFANWAMLCJ-UHFFFAOYSA-N 0 0 459.262 4.598 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448842301 1066962529 /nfs/dbraw/zinc/96/25/29/1066962529.db2.gz KORYPWYVBQULCK-UDUSLIOASA-N 0 0 453.583 4.941 20 0 JJADRN Cc1cccc(C2(C(=O)NCc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)CCC2)c1 ZINC001545695504 1066962753 /nfs/dbraw/zinc/96/27/53/1066962753.db2.gz VFIFPLRXYPJZCQ-UHFFFAOYSA-N 0 0 452.551 4.673 20 0 JJADRN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc12 ZINC001448844124 1066962886 /nfs/dbraw/zinc/96/28/86/1066962886.db2.gz MRONGTMOPAJOSP-WBVHZDCISA-N 0 0 454.596 4.913 20 0 JJADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)ccc1F ZINC001458056525 1066962960 /nfs/dbraw/zinc/96/29/60/1066962960.db2.gz OXGUKUOQPRKLFY-INIZCTEOSA-N 0 0 458.530 4.810 20 0 JJADRN CN(c1ccc(Oc2cc(Cl)nc([C@@H]3CCCO3)n2)cc1)S(=O)(=O)c1cccs1 ZINC001458056611 1066963035 /nfs/dbraw/zinc/96/30/35/1066963035.db2.gz BHFBBTBXJONFHS-HNNXBMFYSA-N 0 0 451.957 4.660 20 0 JJADRN COCCOCc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC001458056086 1066963095 /nfs/dbraw/zinc/96/30/95/1066963095.db2.gz DWGLYOWLEWPJHP-NRFANRHFSA-N 0 0 455.599 4.765 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001545696487 1066963191 /nfs/dbraw/zinc/96/31/91/1066963191.db2.gz QGHQCDUUBHLSNQ-HNNXBMFYSA-N 0 0 489.407 4.804 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](C)C1 ZINC001545696863 1066963218 /nfs/dbraw/zinc/96/32/18/1066963218.db2.gz WTUCGEGWYRLZTR-MOPGFXCFSA-N 0 0 450.587 4.531 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001545697269 1066963448 /nfs/dbraw/zinc/96/34/48/1066963448.db2.gz GXHNKKONXHJCJG-HOYKHHGWSA-N 0 0 450.966 4.996 20 0 JJADRN Cc1nc([C@@H]2CCOC2)sc1C(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001448850331 1066963733 /nfs/dbraw/zinc/96/37/33/1066963733.db2.gz QMSUSAVEXJUOMG-LJQANCHMSA-N 0 0 459.612 4.513 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448846870 1066963889 /nfs/dbraw/zinc/96/38/89/1066963889.db2.gz PWJISDCTATZGND-SQNIBIBYSA-N 0 0 455.640 4.562 20 0 JJADRN Cc1nc([C@H]2CCOC2)sc1C(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001448850273 1066963923 /nfs/dbraw/zinc/96/39/23/1066963923.db2.gz QMSUSAVEXJUOMG-IBGZPJMESA-N 0 0 459.612 4.513 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)C2=O ZINC001545699735 1066963816 /nfs/dbraw/zinc/96/38/16/1066963816.db2.gz BZZYMBMOGAKHMR-AYQROOGASA-N 0 0 451.611 4.608 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545699410 1066963846 /nfs/dbraw/zinc/96/38/46/1066963846.db2.gz WHJNDOXYMTUIJQ-GMAHTHKFSA-N 0 0 467.658 4.691 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC001458058352 1066964090 /nfs/dbraw/zinc/96/40/90/1066964090.db2.gz KMNKQXXKCQTNSF-VWPQPMDRSA-N 0 0 458.647 4.573 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001545701255 1066964267 /nfs/dbraw/zinc/96/42/67/1066964267.db2.gz HAOJZNMCDPFGNB-RBBKRZOGSA-N 0 0 465.667 4.755 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1)C2=O ZINC001545699737 1066964418 /nfs/dbraw/zinc/96/44/18/1066964418.db2.gz BZZYMBMOGAKHMR-PGLYQJPQSA-N 0 0 451.611 4.608 20 0 JJADRN CCCCn1ncc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1C(C)C ZINC001448853201 1066964315 /nfs/dbraw/zinc/96/43/15/1066964315.db2.gz RZJWEQSLUXOIAC-UHFFFAOYSA-N 0 0 455.609 4.945 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1)C2=O ZINC001545699738 1066964427 /nfs/dbraw/zinc/96/44/27/1066964427.db2.gz BZZYMBMOGAKHMR-RVKGIUBCSA-N 0 0 451.611 4.608 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(Br)cc2OC(C)C)C3)cc1 ZINC001448853965 1066964736 /nfs/dbraw/zinc/96/47/36/1066964736.db2.gz ZFYVPHFPCSJNHE-UHFFFAOYSA-N 0 0 454.368 4.929 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001546010125 1066965483 /nfs/dbraw/zinc/96/54/83/1066965483.db2.gz GIXDDOSHRVAIBN-PMACEKPBSA-N 0 0 497.606 4.787 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(C1)CCOCC2)OC ZINC001546010174 1066965629 /nfs/dbraw/zinc/96/56/29/1066965629.db2.gz HEZCYHMDXCBKQZ-OAQYLSRUSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458066789 1066965719 /nfs/dbraw/zinc/96/57/19/1066965719.db2.gz IDYOAWUFZNPSHQ-PKOBYXMFSA-N 0 0 453.986 4.601 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3nc4cc(F)c(C)cc4s3)cs2)c1 ZINC001448871177 1066965878 /nfs/dbraw/zinc/96/58/78/1066965878.db2.gz XPFKKDJUHGFNAI-UHFFFAOYSA-N 0 0 456.524 4.648 20 0 JJADRN CCOC(=O)c1sc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)nc1C(C)C ZINC001458067764 1066966027 /nfs/dbraw/zinc/96/60/27/1066966027.db2.gz NJGSCDAEETZCNR-UHFFFAOYSA-N 0 0 457.552 4.808 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)Cc3csc(-c4ccc(C)cc4)n3)c2)ccn1 ZINC001458068439 1066966095 /nfs/dbraw/zinc/96/60/95/1066966095.db2.gz DOJQMISHGIYTSF-UHFFFAOYSA-N 0 0 459.527 4.814 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001545705429 1066966307 /nfs/dbraw/zinc/96/63/07/1066966307.db2.gz ABTBMECVRKDOQC-TZIWHRDSSA-N 0 0 489.611 4.650 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1CC)Oc1ccccc1F ZINC001546010222 1066966322 /nfs/dbraw/zinc/96/63/22/1066966322.db2.gz IHGDNKFITQNPGZ-QWFCFKBJSA-N 0 0 485.629 4.891 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC001545704968 1066966445 /nfs/dbraw/zinc/96/64/45/1066966445.db2.gz NKJWTCYTJMXOTC-HNNXBMFYSA-N 0 0 452.971 4.645 20 0 JJADRN Cc1cccc(NC(=O)CN2CCN(c3oc(-c4ccccc4)nc3C(F)(F)F)CC2)c1C ZINC001458069548 1066966471 /nfs/dbraw/zinc/96/64/71/1066966471.db2.gz KSECNVMMWUNRIQ-UHFFFAOYSA-N 0 0 458.484 4.738 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1 ZINC001545705512 1066966485 /nfs/dbraw/zinc/96/64/85/1066966485.db2.gz BMCYVTJCSMAJOA-XLIONFOSSA-N 0 0 471.602 4.704 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458069032 1066966510 /nfs/dbraw/zinc/96/65/10/1066966510.db2.gz MEYRWUGUQHLVTN-SMDDNHRTSA-N 0 0 453.255 4.846 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001458069027 1066966555 /nfs/dbraw/zinc/96/65/55/1066966555.db2.gz MEYRWUGUQHLVTN-BXUZGUMPSA-N 0 0 453.255 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC001448881848 1066966750 /nfs/dbraw/zinc/96/67/50/1066966750.db2.gz GAYKKKRSRNBKHC-XJKSGUPXSA-N 0 0 455.418 4.749 20 0 JJADRN CN(C)[C@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(Cl)cc1 ZINC001448882300 1066966787 /nfs/dbraw/zinc/96/67/87/1066966787.db2.gz APPHCGZLUGUDHY-UXHICEINSA-N 0 0 450.808 4.808 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1ccco1 ZINC001545705629 1066966758 /nfs/dbraw/zinc/96/67/58/1066966758.db2.gz DFYZXHVCKNJSBF-IRLDBZIGSA-N 0 0 465.598 4.713 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001545705614 1066966817 /nfs/dbraw/zinc/96/68/17/1066966817.db2.gz CZMSNDWUPZKVRW-VXKWHMMOSA-N 0 0 455.647 4.651 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001545705628 1066966906 /nfs/dbraw/zinc/96/69/06/1066966906.db2.gz DFYZXHVCKNJSBF-IFMALSPDSA-N 0 0 465.598 4.713 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cc1 ZINC001458071217 1066966892 /nfs/dbraw/zinc/96/68/92/1066966892.db2.gz ZKYKDLUULYYFAJ-UHFFFAOYSA-N 0 0 459.974 4.811 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458071524 1066966988 /nfs/dbraw/zinc/96/69/88/1066966988.db2.gz CBTMLLRUYOEROB-ILBGXUMGSA-N 0 0 457.534 4.580 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001545705816 1066967081 /nfs/dbraw/zinc/96/70/81/1066967081.db2.gz GQSZOZUXAWGGGR-DLBZAZTESA-N 0 0 480.078 4.532 20 0 JJADRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001448885142 1066967131 /nfs/dbraw/zinc/96/71/31/1066967131.db2.gz KTUAWURORNFBHV-SFHVURJKSA-N 0 0 457.349 4.711 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001448886471 1066967141 /nfs/dbraw/zinc/96/71/41/1066967141.db2.gz GYRXKTRPKMGQAD-GOSISDBHSA-N 0 0 455.908 4.920 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H]3CSc4ccc(Br)cc43)C2=O)cc1 ZINC001448885041 1066967204 /nfs/dbraw/zinc/96/72/04/1066967204.db2.gz KIWRORCWNYHQIQ-PKOBYXMFSA-N 0 0 459.409 4.889 20 0 JJADRN Cc1ccccc1C1(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)CCOCC1 ZINC001448889318 1066967241 /nfs/dbraw/zinc/96/72/41/1066967241.db2.gz JQJBDXQJETYATA-NRFANRHFSA-N 0 0 457.412 4.909 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 ZINC001545705853 1066967122 /nfs/dbraw/zinc/96/71/22/1066967122.db2.gz HLGLEODBAJYRTF-QGZVFWFLSA-N 0 0 462.063 4.909 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCCCC2)C1 ZINC001545705791 1066967139 /nfs/dbraw/zinc/96/71/39/1066967139.db2.gz GHAZICUCENAEID-OAQYLSRUSA-N 0 0 485.698 4.723 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458071547 1066967180 /nfs/dbraw/zinc/96/71/80/1066967180.db2.gz CBTMLLRUYOEROB-ZCYQVOJMSA-N 0 0 457.534 4.580 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H]3CSc4ccc(Br)cc43)c2N1 ZINC001448893547 1066967461 /nfs/dbraw/zinc/96/74/61/1066967461.db2.gz XKBXHIJYXSAYBN-IHPUGEDLSA-N 0 0 461.307 4.530 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001545706235 1066967515 /nfs/dbraw/zinc/96/75/15/1066967515.db2.gz OCDDCIMVWZNEEA-VIZSFHNOSA-N 0 0 467.658 4.838 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)CCc3nc(C)c(-c4ccccc4)o3)c2)ccn1 ZINC001458074789 1066967717 /nfs/dbraw/zinc/96/77/17/1066967717.db2.gz WPVXEAKXQLSRQH-UHFFFAOYSA-N 0 0 457.486 4.735 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001545706365 1066967811 /nfs/dbraw/zinc/96/78/11/1066967811.db2.gz QALMGAZNYFMYSE-OIISXLGYSA-N 0 0 480.440 4.561 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)COc3cccc(Br)c3)cc2)cc1 ZINC001458074920 1066967992 /nfs/dbraw/zinc/96/79/92/1066967992.db2.gz YAHPFZVWPVONGC-UHFFFAOYSA-N 0 0 456.336 4.988 20 0 JJADRN CC(C)[C@H](OC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(F)c(F)c1 ZINC001458075036 1066968078 /nfs/dbraw/zinc/96/80/78/1066968078.db2.gz JHEUOUPRDOBUBD-AOMKIAJQSA-N 0 0 451.897 4.786 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001545706776 1066968386 /nfs/dbraw/zinc/96/83/86/1066968386.db2.gz YGGVQKJMCZRIBS-HKBOAZHASA-N 0 0 469.674 4.942 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001545706534 1066968431 /nfs/dbraw/zinc/96/84/31/1066968431.db2.gz SZUURSPZTPUMOF-AUSIDOKSSA-N 0 0 496.681 4.885 20 0 JJADRN O=C(c1ccc(Br)cc1O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448903491 1066968468 /nfs/dbraw/zinc/96/84/68/1066968468.db2.gz YEKKWEPCNNFYRE-OAHLLOKOSA-N 0 0 454.162 4.634 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001545706798 1066968659 /nfs/dbraw/zinc/96/86/59/1066968659.db2.gz YNWIGQWFACENDU-BVYCBKJFSA-N 0 0 455.647 4.794 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001545708087 1066968720 /nfs/dbraw/zinc/96/87/20/1066968720.db2.gz CDWFLWBAAUWXSJ-ODOSVJCGSA-N 0 0 488.076 4.718 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)nnc1C(C)(C)C ZINC001545708023 1066968744 /nfs/dbraw/zinc/96/87/44/1066968744.db2.gz BISJXMYNMLNFRP-SFHVURJKSA-N 0 0 498.672 4.790 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458078178 1066968927 /nfs/dbraw/zinc/96/89/27/1066968927.db2.gz SAFRETDHOXXMLO-GCJKJVERSA-N 0 0 453.905 4.832 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001545708286 1066969062 /nfs/dbraw/zinc/96/90/62/1066969062.db2.gz GDXAVKCSQJLFLJ-MEKIYTOJSA-N 0 0 485.648 4.810 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccccc2O[C@H]2CCOC2)C2CCCCC2)cc1OC ZINC001458079695 1066969288 /nfs/dbraw/zinc/96/92/88/1066969288.db2.gz HPMUMDDLDSFEDX-QHCPKHFHSA-N 0 0 453.579 4.776 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)/C(=C\c1ccc(O)c(OC)c1)c1ccccc1 ZINC001448910516 1066969138 /nfs/dbraw/zinc/96/91/38/1066969138.db2.gz RNFAVULDYPBCLH-AFDUHFSSSA-N 0 0 454.567 4.703 20 0 JJADRN C[C@H]1CN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC2(CCOCC2)O1 ZINC001448912199 1066969247 /nfs/dbraw/zinc/96/92/47/1066969247.db2.gz DCPIFWNVQGTGFE-HRAATJIYSA-N 0 0 450.362 4.910 20 0 JJADRN Cc1cc(F)c(Br)cc1NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001448910480 1066969283 /nfs/dbraw/zinc/96/92/83/1066969283.db2.gz QFJVVNBSDGBGAD-UHFFFAOYSA-N 0 0 458.353 4.559 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)/C(=C/c1ccc(O)c(OC)c1)c1ccccc1 ZINC001448910517 1066969370 /nfs/dbraw/zinc/96/93/70/1066969370.db2.gz RNFAVULDYPBCLH-ISPGYRLHSA-N 0 0 454.567 4.703 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001545709196 1066969344 /nfs/dbraw/zinc/96/93/44/1066969344.db2.gz XNTSYQJZTXRXEI-DLBZAZTESA-N 0 0 499.603 4.663 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001545708856 1066969515 /nfs/dbraw/zinc/96/95/15/1066969515.db2.gz QUHZGTIIGBCTHW-YCYVKTGYSA-N 0 0 485.648 4.635 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C)NC(=O)OC(C)(C)C ZINC001546010478 1066969626 /nfs/dbraw/zinc/96/96/26/1066969626.db2.gz MMALQYQAAXHOMT-FCEUIQTBSA-N 0 0 483.657 4.869 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3cccs3)cc2)cc1 ZINC001545709768 1066969786 /nfs/dbraw/zinc/96/97/86/1066969786.db2.gz KUPCAIMBAZVLEE-NZQKXSOJSA-N 0 0 451.544 4.708 20 0 JJADRN CCc1c(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448921246 1066969932 /nfs/dbraw/zinc/96/99/32/1066969932.db2.gz FCOKDPXDZOHVNC-GOSISDBHSA-N 0 0 459.472 4.500 20 0 JJADRN CC[C@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2Sc2nccn(C)c2=O)cc1 ZINC001458082852 1066970021 /nfs/dbraw/zinc/97/00/21/1066970021.db2.gz DDKCGTHUZARAGA-AWEZNQCLSA-N 0 0 452.967 4.798 20 0 JJADRN Cc1cc(C(F)(F)F)nc(Sc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccco2)n1 ZINC001458083475 1066970186 /nfs/dbraw/zinc/97/01/86/1066970186.db2.gz HFOSZTWJDCRVAH-BETUJISGSA-N 0 0 452.506 4.670 20 0 JJADRN Clc1ccccc1OCCN1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458086243 1066970417 /nfs/dbraw/zinc/97/04/17/1066970417.db2.gz WSXVQJYGNRGGIP-UHFFFAOYSA-N 0 0 452.805 4.913 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)CCCCC2)c(Br)c1 ZINC001448923939 1066970434 /nfs/dbraw/zinc/97/04/34/1066970434.db2.gz OUDSNOKVEVRIDL-IXFSTUDKSA-N 0 0 450.417 4.754 20 0 JJADRN O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001458085289 1066970478 /nfs/dbraw/zinc/97/04/78/1066970478.db2.gz ORORRVQRLVSYCC-UHFFFAOYSA-N 0 0 454.905 4.729 20 0 JJADRN Brc1cncnc1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 ZINC001458085981 1066970486 /nfs/dbraw/zinc/97/04/86/1066970486.db2.gz VSPULEWWNAWCHV-UHFFFAOYSA-N 0 0 458.410 4.877 20 0 JJADRN Ic1cnc(Sc2nnc(-c3ccco3)n2C2CCCCC2)nc1 ZINC001458084914 1066970502 /nfs/dbraw/zinc/97/05/02/1066970502.db2.gz OULAOVWZXVSFGO-UHFFFAOYSA-N 0 0 453.309 4.589 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)cc1)NCCO ZINC001545713926 1066970514 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JGXXBXAHGICUPU-KRWDZBQOSA-N 0 0 451.386 4.731 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1 ZINC001545716639 1066971424 /nfs/dbraw/zinc/97/14/24/1066971424.db2.gz WDQXXUQZAVKXHW-DEOSSOPVSA-N 0 0 452.576 4.757 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1sccc1S(=O)(=O)C(F)F ZINC001545716738 1066971476 /nfs/dbraw/zinc/97/14/76/1066971476.db2.gz YJUXHFTYBJZZCJ-QGZVFWFLSA-N 0 0 451.516 4.663 20 0 JJADRN CS(=O)(=O)C[C@@H](C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001448930059 1066971554 /nfs/dbraw/zinc/97/15/54/1066971554.db2.gz IONNGDXKNRRJSM-NHCUHLMSSA-N 0 0 453.526 4.978 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545716884 1066971724 /nfs/dbraw/zinc/97/17/24/1066971724.db2.gz BRNIJUOPKJYNAJ-RXVVDRJESA-N 0 0 482.641 4.905 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc1 ZINC001545716805 1066971779 /nfs/dbraw/zinc/97/17/79/1066971779.db2.gz ZTGWMHBZXQUDFB-UIOOFZCWSA-N 0 0 458.558 4.605 20 0 JJADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001448935334 1066971841 /nfs/dbraw/zinc/97/18/41/1066971841.db2.gz MJHGCVGJZFOTNA-BIKZULFDSA-N 0 0 457.509 4.575 20 0 JJADRN Cc1cc(C(=O)NCCOc2ncccc2C(F)(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC001458090415 1066971852 /nfs/dbraw/zinc/97/18/52/1066971852.db2.gz DJARJLDMJWXGRH-UHFFFAOYSA-N 0 0 459.255 4.710 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2[C@H](O)c2ccccn2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001448935229 1066971964 /nfs/dbraw/zinc/97/19/64/1066971964.db2.gz HQYCELGDQRQENT-QFIPXVFZSA-N 0 0 452.436 4.929 20 0 JJADRN COc1ccc(-c2ccc(C(=O)NCCOc3ncccc3C(F)(F)F)c(F)c2)c(F)c1 ZINC001458092068 1066972131 /nfs/dbraw/zinc/97/21/31/1066972131.db2.gz NLWALRMSXBSGHP-UHFFFAOYSA-N 0 0 452.379 4.863 20 0 JJADRN CCc1ncsc1NC(=O)c1cc(I)cc(Br)c1C ZINC001458092007 1066972227 /nfs/dbraw/zinc/97/22/27/1066972227.db2.gz MVKUCPSTBTVCMW-UHFFFAOYSA-N 0 0 451.127 4.633 20 0 JJADRN CN(C(=O)CSCC(=O)N1CCN(Cc2ccccc2)c2ccccc21)C1CCCCC1 ZINC001458092284 1066972237 /nfs/dbraw/zinc/97/22/37/1066972237.db2.gz GEJJNHFZCZRPKU-UHFFFAOYSA-N 0 0 451.636 4.564 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545719066 1066972557 /nfs/dbraw/zinc/97/25/57/1066972557.db2.gz AHOVADYPDUVYOM-VBMWCMCSSA-N 0 0 455.622 4.842 20 0 JJADRN CC(=O)c1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)c(C)nc1C ZINC001458093541 1066972701 /nfs/dbraw/zinc/97/27/01/1066972701.db2.gz JXRWWAHYWMZROO-CQSZACIVSA-N 0 0 455.530 4.826 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545719064 1066972613 /nfs/dbraw/zinc/97/26/13/1066972613.db2.gz AHOVADYPDUVYOM-BQXUCVOKSA-N 0 0 455.622 4.842 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC001545719689 1066973605 /nfs/dbraw/zinc/97/36/05/1066973605.db2.gz KUPVHPRSOYYLOA-SFTDATJTSA-N 0 0 459.516 4.702 20 0 JJADRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC001458095356 1066973669 /nfs/dbraw/zinc/97/36/69/1066973669.db2.gz XZMVOMPCNDWTIX-UHFFFAOYSA-N 0 0 454.301 4.868 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458097147 1066974118 /nfs/dbraw/zinc/97/41/18/1066974118.db2.gz VFNNNUFCNZWGQN-QGZVFWFLSA-N 0 0 450.514 4.797 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)ccc2s1 ZINC001458096771 1066974217 /nfs/dbraw/zinc/97/42/17/1066974217.db2.gz PVEWDDBSTRUJFD-UHFFFAOYSA-N 0 0 456.911 4.979 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545720039 1066974340 /nfs/dbraw/zinc/97/43/40/1066974340.db2.gz QEIYTMFBLDVYPJ-YADHBBJMSA-N 0 0 479.591 4.710 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(C)CCCS1)c1ccccc1 ZINC001545720174 1066974417 /nfs/dbraw/zinc/97/44/17/1066974417.db2.gz SFFLILHNRXHSBO-HOFKKMOUSA-N 0 0 485.742 4.900 20 0 JJADRN Cc1ccc2[nH]c(C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cn3)c(Cl)c2c1 ZINC001448971180 1066974544 /nfs/dbraw/zinc/97/45/44/1066974544.db2.gz MSVQJXRVDWVFDQ-UHFFFAOYSA-N 0 0 454.939 4.719 20 0 JJADRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC001448968334 1066974590 /nfs/dbraw/zinc/97/45/90/1066974590.db2.gz GRZAWNNMWUAEJX-HXUWFJFHSA-N 0 0 454.958 4.735 20 0 JJADRN Cc1ccc(-c2ccc(C)c(NC(=O)c3cn(CCCCNC(=O)OC(C)(C)C)nn3)c2)o1 ZINC001448973268 1066974601 /nfs/dbraw/zinc/97/46/01/1066974601.db2.gz PCLBNLFLXANFON-UHFFFAOYSA-N 0 0 453.543 4.712 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545720394 1066974802 /nfs/dbraw/zinc/97/48/02/1066974802.db2.gz WHKOHCKGPICYRF-CCEREENXSA-N 0 0 481.685 4.645 20 0 JJADRN C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458100196 1066975059 /nfs/dbraw/zinc/97/50/59/1066975059.db2.gz AGCDEGVWNNGHCZ-YADARESESA-N 0 0 457.998 4.830 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)n2)c1 ZINC001448983177 1066975324 /nfs/dbraw/zinc/97/53/24/1066975324.db2.gz WPIUAIDEQNFWJK-LBPRGKRZSA-N 0 0 453.442 4.613 20 0 JJADRN Cc1c(C(=O)NCC2(c3cccc(Br)c3)CCCC2)nnn1-c1ccc(C)cc1 ZINC001458100655 1066975483 /nfs/dbraw/zinc/97/54/83/1066975483.db2.gz ATFPSJRKGMZXTL-UHFFFAOYSA-N 0 0 453.384 4.888 20 0 JJADRN O=C(Cc1ccccc1O[C@@H]1CCOC1)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458101365 1066975494 /nfs/dbraw/zinc/97/54/94/1066975494.db2.gz GSEUFEUDASYMHP-OAQYLSRUSA-N 0 0 458.396 4.788 20 0 JJADRN C[C@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccc(OC(F)(F)F)cc1 ZINC001448982810 1066975532 /nfs/dbraw/zinc/97/55/32/1066975532.db2.gz UXSNHFVGIMCDQL-ZDUSSCGKSA-N 0 0 459.449 4.813 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCOc3ccc(Br)cc32)n(-c2ccccc2)n1 ZINC001458101499 1066975868 /nfs/dbraw/zinc/97/58/68/1066975868.db2.gz FGYFFGDLIAJPDV-QRWLVFNGSA-N 0 0 454.368 4.557 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)c2cc(F)c(F)cc2Br)C(F)(F)F)cc1 ZINC001458102378 1066976138 /nfs/dbraw/zinc/97/61/38/1066976138.db2.gz ILEJXXPNVSFHPI-CQSZACIVSA-N 0 0 453.157 4.974 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001546010907 1066976121 /nfs/dbraw/zinc/97/61/21/1066976121.db2.gz UZNPGKRVVHUCLD-FYYLOGMGSA-N 0 0 450.631 4.585 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC001546010909 1066976264 /nfs/dbraw/zinc/97/62/64/1066976264.db2.gz UZNPGKRVVHUCLD-GMAHTHKFSA-N 0 0 450.631 4.585 20 0 JJADRN CCc1csc(-n2cc(C(=O)NCC3(c4cccc(Br)c4)CCCC3)cn2)n1 ZINC001458102855 1066976183 /nfs/dbraw/zinc/97/61/83/1066976183.db2.gz UUTAGFFIRBHHLE-UHFFFAOYSA-N 0 0 459.413 4.896 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545721761 1066976385 /nfs/dbraw/zinc/97/63/85/1066976385.db2.gz GNNZGVXXQPTZHT-DENIHFKCSA-N 0 0 472.559 4.736 20 0 JJADRN C[C@H]1[C@@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001458103804 1066976475 /nfs/dbraw/zinc/97/64/75/1066976475.db2.gz IEZRWNVGNCHINH-UWJYYQICSA-N 0 0 458.549 4.880 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)c2cc3c(cncc3Br)s2)n(-c2ccccc2)n1 ZINC001458103398 1066976612 /nfs/dbraw/zinc/97/66/12/1066976612.db2.gz FFQJIHNDOQFZEE-CYBMUJFWSA-N 0 0 455.381 4.914 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458104574 1066977104 /nfs/dbraw/zinc/97/71/04/1066977104.db2.gz KZGXDUDSOZUUGD-BTYIYWSLSA-N 0 0 453.457 4.649 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)Cc2c[nH]c3cc(Br)ccc23)n(-c2ccccc2)n1 ZINC001458105585 1066977460 /nfs/dbraw/zinc/97/74/60/1066977460.db2.gz OSPAMQIJRJQIPC-OAHLLOKOSA-N 0 0 451.368 4.714 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1F ZINC001449019960 1066977301 /nfs/dbraw/zinc/97/73/01/1066977301.db2.gz DWGXGBZUOFNYKW-MRXNPFEDSA-N 0 0 453.341 4.889 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3SC)cc2)cc1 ZINC001449019527 1066977311 /nfs/dbraw/zinc/97/73/11/1066977311.db2.gz BZODLFMIYHWQSL-UHFFFAOYSA-N 0 0 458.561 4.566 20 0 JJADRN CC[C@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC001449022107 1066977427 /nfs/dbraw/zinc/97/74/27/1066977427.db2.gz YMOPSSSLQMXGEB-AVBTWRTFSA-N 0 0 455.368 4.740 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545722185 1066977569 /nfs/dbraw/zinc/97/75/69/1066977569.db2.gz PYOGAQVWBCRKCK-UNWVZKJWSA-N 0 0 480.682 4.775 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1Br ZINC001458107795 1066977715 /nfs/dbraw/zinc/97/77/15/1066977715.db2.gz VAJRLVPPOGAHMK-INIZCTEOSA-N 0 0 456.384 4.632 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545722340 1066977857 /nfs/dbraw/zinc/97/78/57/1066977857.db2.gz SKPIOYXNPBQSPB-QHCPKHFHSA-N 0 0 471.609 4.867 20 0 JJADRN C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458109049 1066978159 /nfs/dbraw/zinc/97/81/59/1066978159.db2.gz VIHFTZSODMDARB-BXKMTCNYSA-N 0 0 456.970 4.522 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cccs2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545722572 1066978286 /nfs/dbraw/zinc/97/82/86/1066978286.db2.gz WPFBNOMFMGCBFC-QHCPKHFHSA-N 0 0 451.640 4.776 20 0 JJADRN CC(C)CCn1ncc(NC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(C)C ZINC001449035168 1066978183 /nfs/dbraw/zinc/97/81/83/1066978183.db2.gz AIXHQBOGFLBVSO-QGZVFWFLSA-N 0 0 458.607 4.752 20 0 JJADRN CC(C)CCn1ncc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C(C)C ZINC001449033554 1066978330 /nfs/dbraw/zinc/97/83/30/1066978330.db2.gz QAZIVXWQQQSIEJ-GOSISDBHSA-N 0 0 459.978 4.550 20 0 JJADRN CSc1cc(O)ccc1NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001449030406 1066978367 /nfs/dbraw/zinc/97/83/67/1066978367.db2.gz REIZZWFINMWIDO-UHFFFAOYSA-N 0 0 453.223 4.990 20 0 JJADRN C[C@]1(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCS1 ZINC001545722962 1066978801 /nfs/dbraw/zinc/97/88/01/1066978801.db2.gz IDTPJWVFCQALJQ-LJQANCHMSA-N 0 0 458.527 4.522 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)C(C)C ZINC001458111301 1066978902 /nfs/dbraw/zinc/97/89/02/1066978902.db2.gz LBEXVDRSVKKYFT-UHFFFAOYSA-N 0 0 454.571 4.870 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1=O ZINC001458110995 1066978953 /nfs/dbraw/zinc/97/89/53/1066978953.db2.gz MXROSVYZAKUUAG-KRWDZBQOSA-N 0 0 459.011 4.793 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@](C)(Cc3ccccc3)[C@H](C)O)c2)n1 ZINC001449042821 1066978980 /nfs/dbraw/zinc/97/89/80/1066978980.db2.gz KGTLEUZMEDAOOC-BVZFJXPGSA-N 0 0 452.986 4.850 20 0 JJADRN Cc1cc(F)cc(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1N ZINC001449042714 1066979067 /nfs/dbraw/zinc/97/90/67/1066979067.db2.gz KPJILXRMVWNBEP-UHFFFAOYSA-N 0 0 459.319 4.549 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449044649 1066979154 /nfs/dbraw/zinc/97/91/54/1066979154.db2.gz OKJXVPBJQJABSQ-UHFFFAOYSA-N 0 0 451.832 4.533 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@]1(C)CCCS1 ZINC001545723409 1066979166 /nfs/dbraw/zinc/97/91/66/1066979166.db2.gz XOVIMJKEYUZSRG-OZXSUGGESA-N 0 0 452.620 4.952 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001458113038 1066979442 /nfs/dbraw/zinc/97/94/42/1066979442.db2.gz VYOXDSUJOVZRGH-AWEZNQCLSA-N 0 0 450.938 4.754 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(Br)cc(F)c1N ZINC001449047973 1066979506 /nfs/dbraw/zinc/97/95/06/1066979506.db2.gz VIMXRIXTXFLCIV-UHFFFAOYSA-N 0 0 450.533 4.859 20 0 JJADRN CC(C)Oc1cccc([C@@H](C)Nc2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001458113828 1066979848 /nfs/dbraw/zinc/97/98/48/1066979848.db2.gz OZPWYFUCCMZGNK-MRXNPFEDSA-N 0 0 452.559 4.578 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545724031 1066980072 /nfs/dbraw/zinc/98/00/72/1066980072.db2.gz KTLYWEMUZBHWSV-CBJLPSGESA-N 0 0 497.684 4.938 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nc3c(cccc3Br)s2)C1 ZINC001458115302 1066980243 /nfs/dbraw/zinc/98/02/43/1066980243.db2.gz XLPCGHAFNZLMPW-NSHDSACASA-N 0 0 451.777 4.962 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)NCCc1cc(Cl)ccc1Br ZINC001458114949 1066980368 /nfs/dbraw/zinc/98/03/68/1066980368.db2.gz ACZNVWJYULDUFS-UHFFFAOYSA-N 0 0 451.670 4.888 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458116844 1066980656 /nfs/dbraw/zinc/98/06/56/1066980656.db2.gz ABMQIJQWNRSQQP-CYBMUJFWSA-N 0 0 450.486 4.540 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001449067177 1066980790 /nfs/dbraw/zinc/98/07/90/1066980790.db2.gz WMDVCMQVOWKEBC-UHFFFAOYSA-N 0 0 457.699 4.867 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nccs2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545724418 1066980740 /nfs/dbraw/zinc/98/07/40/1066980740.db2.gz QADFRZXVRKCEDA-HXUWFJFHSA-N 0 0 466.655 4.562 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001449062307 1066980927 /nfs/dbraw/zinc/98/09/27/1066980927.db2.gz GOFFWZPGLNRRGS-LEWJYISDSA-N 0 0 450.608 4.865 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546097165 1066981136 /nfs/dbraw/zinc/98/11/36/1066981136.db2.gz DLXJMDXRTLPUDZ-CJFMBICVSA-N 0 0 463.667 4.565 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@H]1CCCCO1)c1ccccc1 ZINC001545724541 1066981139 /nfs/dbraw/zinc/98/11/39/1066981139.db2.gz SHGWQDAPQDGVKO-PKTZIBPZSA-N 0 0 456.631 4.615 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545724667 1066981682 /nfs/dbraw/zinc/98/16/82/1066981682.db2.gz VHCHPXWSIFPZPZ-INIZCTEOSA-N 0 0 462.501 4.968 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccon2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545724684 1066981690 /nfs/dbraw/zinc/98/16/90/1066981690.db2.gz VKKWVEXJFDNQGA-SFHVURJKSA-N 0 0 451.600 4.642 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449081462 1066981634 /nfs/dbraw/zinc/98/16/34/1066981634.db2.gz VFZLUODFQSNMNF-FUHWJXTLSA-N 0 0 450.398 4.635 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545724791 1066982016 /nfs/dbraw/zinc/98/20/16/1066982016.db2.gz XAHXMGHRFQBHKL-OBTVHEKISA-N 0 0 466.626 4.943 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CCCN1c1ncnc2sccc21)c1ccccc1Br ZINC001458122854 1066982034 /nfs/dbraw/zinc/98/20/34/1066982034.db2.gz KXENJMDAAWEKNY-QGZVFWFLSA-N 0 0 459.413 4.517 20 0 JJADRN CC[C@H](c1nnc(N(C)CCCS(C)(=O)=O)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545725652 1066982309 /nfs/dbraw/zinc/98/23/09/1066982309.db2.gz ADAAEIPIHCTFGL-FQEVSTJZSA-N 0 0 468.614 4.516 20 0 JJADRN COC(=O)c1cnc(Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2C)c(Cl)c1 ZINC001458124303 1066982290 /nfs/dbraw/zinc/98/22/90/1066982290.db2.gz SICLUMYHXAZXFA-UHFFFAOYSA-N 0 0 451.939 4.932 20 0 JJADRN COc1cc(CCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc(OC)c1OC ZINC001458123317 1066982457 /nfs/dbraw/zinc/98/24/57/1066982457.db2.gz QQVRMFOFTBETPJ-AWEZNQCLSA-N 0 0 458.502 4.527 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCSC)n1C[C@H]1CCC[C@@]2(CCOC2)O1)c1ccccc1 ZINC001545725639 1066982471 /nfs/dbraw/zinc/98/24/71/1066982471.db2.gz AASYOAMKUVSCGV-RQTOMXEWSA-N 0 0 458.672 4.738 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458125020 1066982817 /nfs/dbraw/zinc/98/28/17/1066982817.db2.gz VVBGGNHFDRCCPF-STQMWFEESA-N 0 0 458.527 4.835 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725936 1066982845 /nfs/dbraw/zinc/98/28/45/1066982845.db2.gz GOYMHBPJFRWJAZ-HSZRJFAPSA-N 0 0 494.684 4.701 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(=O)NC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545726564 1066983272 /nfs/dbraw/zinc/98/32/72/1066983272.db2.gz SFMGONFDNMXPRJ-GUDVDZBRSA-N 0 0 451.537 4.686 20 0 JJADRN CC[C@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545726515 1066983306 /nfs/dbraw/zinc/98/33/06/1066983306.db2.gz RNCGFDFMASNDBB-QHCPKHFHSA-N 0 0 453.675 4.803 20 0 JJADRN Cc1c(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cnn1-c1ccccc1F ZINC001458126974 1066983623 /nfs/dbraw/zinc/98/36/23/1066983623.db2.gz HUDQSOCLBHVZHX-SFHVURJKSA-N 0 0 456.493 4.706 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cnn1-c1ccccc1F ZINC001458128853 1066983994 /nfs/dbraw/zinc/98/39/94/1066983994.db2.gz SWSNVOBCDQQYDD-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(Nc4nccc(C(F)(F)F)n4)c3)ccc12 ZINC001449133145 1066984486 /nfs/dbraw/zinc/98/44/86/1066984486.db2.gz DOTBJQBSAPGPHP-UHFFFAOYSA-N 0 0 454.408 4.930 20 0 JJADRN Cc1cccc(-c2cnc(NC(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)s2)c1 ZINC001449133323 1066984547 /nfs/dbraw/zinc/98/45/47/1066984547.db2.gz DTCJIEYNAIJABF-INIZCTEOSA-N 0 0 453.568 4.818 20 0 JJADRN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc(C(F)(F)F)cnc1Cl ZINC001458131459 1066984581 /nfs/dbraw/zinc/98/45/81/1066984581.db2.gz AKPVCVOVTJXERY-AWEZNQCLSA-N 0 0 458.868 4.968 20 0 JJADRN Cc1cccc(-c2cnc(NC(=O)c3c[nH]nc3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)s2)c1 ZINC001449133326 1066984623 /nfs/dbraw/zinc/98/46/23/1066984623.db2.gz DTCJIEYNAIJABF-MRXNPFEDSA-N 0 0 453.568 4.818 20 0 JJADRN CCOC(=O)c1cc(C(C)C)nc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC001458136051 1066985011 /nfs/dbraw/zinc/98/50/11/1066985011.db2.gz YZXBLRZDARQXDK-UHFFFAOYSA-N 0 0 451.489 4.956 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2ccc(Cl)s2)n1Cc1nncn1C)c1ccccc1 ZINC001545727930 1066985248 /nfs/dbraw/zinc/98/52/48/1066985248.db2.gz CBIPHLJARVPXOG-SFHVURJKSA-N 0 0 456.019 4.738 20 0 JJADRN O=C(/C=C/C1CCCCCC1)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC001449149566 1066985340 /nfs/dbraw/zinc/98/53/40/1066985340.db2.gz HOEBCYGTFANPBK-BUCZBDGVSA-N 0 0 459.634 4.715 20 0 JJADRN COc1ccc(OC)c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC001546011733 1066985539 /nfs/dbraw/zinc/98/55/39/1066985539.db2.gz QHPOQIDCDRHWBB-VWLOTQADSA-N 0 0 450.966 4.905 20 0 JJADRN CC[C@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545728353 1066985509 /nfs/dbraw/zinc/98/55/09/1066985509.db2.gz KLKQIRMMGWHURN-RTWAWAEBSA-N 0 0 486.707 4.873 20 0 JJADRN CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545728183 1066985522 /nfs/dbraw/zinc/98/55/22/1066985522.db2.gz HKQZLIRKMYSWHM-CRAIPNDOSA-N 0 0 477.556 4.616 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458136447 1066985651 /nfs/dbraw/zinc/98/56/51/1066985651.db2.gz SCYMUCRGZTUVHE-LPHOPBHVSA-N 0 0 451.445 4.539 20 0 JJADRN O=C(CCc1cccc(C(F)(F)F)c1)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC001458138129 1066985966 /nfs/dbraw/zinc/98/59/66/1066985966.db2.gz DYHBBRWIXCAQOR-QGZVFWFLSA-N 0 0 451.489 4.891 20 0 JJADRN COc1nsc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1Br ZINC001449157343 1066985888 /nfs/dbraw/zinc/98/58/88/1066985888.db2.gz ATAOSGLTAACWLK-UHFFFAOYSA-N 0 0 450.767 4.594 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2c[nH]c3cc(=O)ccc-3c2)C1 ZINC001449158612 1066986299 /nfs/dbraw/zinc/98/62/99/1066986299.db2.gz XECFAJQVXSKJGF-IBGZPJMESA-N 0 0 454.368 4.719 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1 ZINC001449163744 1066986568 /nfs/dbraw/zinc/98/65/68/1066986568.db2.gz PQUFEUPNDIYHKG-LEWJYISDSA-N 0 0 454.592 4.656 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545728943 1066986736 /nfs/dbraw/zinc/98/67/36/1066986736.db2.gz UKFDQRAENDSBAZ-DLBZAZTESA-N 0 0 457.363 4.813 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001545728782 1066986881 /nfs/dbraw/zinc/98/68/81/1066986881.db2.gz RBVMJAQYJLTADQ-IQGLISFBSA-N 0 0 480.638 4.718 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCCN(c4ccccc4Cl)CC3)[nH]n2)c1C ZINC001449168170 1066986987 /nfs/dbraw/zinc/98/69/87/1066986987.db2.gz DFDMYRIURISJDJ-MRXNPFEDSA-N 0 0 455.006 4.867 20 0 JJADRN CC[C@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545729169 1066987082 /nfs/dbraw/zinc/98/70/82/1066987082.db2.gz XSQLAUDKSFDJFA-RPWUZVMVSA-N 0 0 467.658 4.618 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC=CO1)c1ccccc1 ZINC001545730449 1066987599 /nfs/dbraw/zinc/98/75/99/1066987599.db2.gz AGJFBEFAFPBKTR-FFGOWVMKSA-N 0 0 450.505 4.669 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Sc3ccncc3)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001458145949 1066987576 /nfs/dbraw/zinc/98/75/76/1066987576.db2.gz IFWRMYBDKQGPLA-UHFFFAOYSA-N 0 0 453.474 4.976 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545730543 1066987899 /nfs/dbraw/zinc/98/78/99/1066987899.db2.gz BJKBPBCHOCERLZ-NWANDNLSSA-N 0 0 497.306 4.964 20 0 JJADRN CN(C)c1ccccc1N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC001458149265 1066988333 /nfs/dbraw/zinc/98/83/33/1066988333.db2.gz SQWXPAMKLAHOLI-UHFFFAOYSA-N 0 0 453.384 4.856 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccc1O ZINC001449181627 1066988340 /nfs/dbraw/zinc/98/83/40/1066988340.db2.gz VZMXLRDVNVIMID-HXUWFJFHSA-N 0 0 454.567 4.881 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545730812 1066988733 /nfs/dbraw/zinc/98/87/33/1066988733.db2.gz GJNCDAMEDBTXML-FUHIMQAGSA-N 0 0 456.685 4.943 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc21 ZINC001449203400 1066988883 /nfs/dbraw/zinc/98/88/83/1066988883.db2.gz HCPPQFHHUJCRGB-HXUWFJFHSA-N 0 0 454.567 4.645 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151372 1066989022 /nfs/dbraw/zinc/98/90/22/1066989022.db2.gz DQNYYODBRDRMFM-HRAATJIYSA-N 0 0 451.945 4.931 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545730936 1066989074 /nfs/dbraw/zinc/98/90/74/1066989074.db2.gz IAODVJMKCWSLSE-WWPVKYPJSA-N 0 0 481.666 4.620 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545731033 1066989191 /nfs/dbraw/zinc/98/91/91/1066989191.db2.gz JDHCSIJQSMULJE-MJGOQNOKSA-N 0 0 488.558 4.875 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152117 1066989265 /nfs/dbraw/zinc/98/92/65/1066989265.db2.gz GHFOLHJEFWXAGQ-PPHZAIPVSA-N 0 0 459.638 4.831 20 0 JJADRN C[C@H](C(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)[C@H]1OCCc2sccc21 ZINC001449206695 1066989399 /nfs/dbraw/zinc/98/93/99/1066989399.db2.gz BSXBELFJWNQARZ-LAUBAEHRSA-N 0 0 450.645 4.932 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3c(Cl)cccc3Cl)cc2)C1 ZINC001458152119 1066989371 /nfs/dbraw/zinc/98/93/71/1066989371.db2.gz YHPLRORFVUKXLC-GASCZTMLSA-N 0 0 455.407 4.937 20 0 JJADRN Cc1ccc(Cl)c2sc(NC(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)nc21 ZINC001449211678 1066989606 /nfs/dbraw/zinc/98/96/06/1066989606.db2.gz JZIIVFAXXJMZDH-UHFFFAOYSA-N 0 0 454.808 4.656 20 0 JJADRN CNc1cc(I)ccc1C(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC001449209959 1066989697 /nfs/dbraw/zinc/98/96/97/1066989697.db2.gz AOLLLASLWVWZTO-AWEZNQCLSA-N 0 0 452.336 4.654 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC001449217254 1066989962 /nfs/dbraw/zinc/98/99/62/1066989962.db2.gz SJSGBVGQZRFRDR-UHFFFAOYSA-N 0 0 459.984 4.653 20 0 JJADRN C[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1c(F)cncc1F ZINC001449217924 1066990065 /nfs/dbraw/zinc/99/00/65/1066990065.db2.gz VRVUJPLCIIYPIK-ZDUSSCGKSA-N 0 0 458.290 4.945 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154591 1066990135 /nfs/dbraw/zinc/99/01/35/1066990135.db2.gz OLDJMKZTRJVVPJ-VGOFRKELSA-N 0 0 458.444 4.763 20 0 JJADRN Cc1noc(C)c1[C@H](C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001458154462 1066990216 /nfs/dbraw/zinc/99/02/16/1066990216.db2.gz KZQNLOAAWHFDEM-KZULUSFZSA-N 0 0 455.477 4.796 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H](N3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731297 1066990513 /nfs/dbraw/zinc/99/05/13/1066990513.db2.gz MPNISWYTMLSFKA-CEMLEFRQSA-N 0 0 479.591 4.710 20 0 JJADRN O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccccc1CSC1=NCCS1 ZINC001449225069 1066990930 /nfs/dbraw/zinc/99/09/30/1066990930.db2.gz GHXHHDIMFALBIE-OAQYLSRUSA-N 0 0 451.617 4.877 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545731484 1066991029 /nfs/dbraw/zinc/99/10/29/1066991029.db2.gz OWMCGAFTEBSYPJ-DLVCFXQMSA-N 0 0 477.531 4.824 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@](C)(O)c1ccsc1)c1ccccc1 ZINC001545731443 1066991151 /nfs/dbraw/zinc/99/11/51/1066991151.db2.gz OLJKDFNJHLWGQM-NXQMDHLFSA-N 0 0 454.640 4.793 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)Nc3ccc4nnc(Br)n4n3)cc2)cc1 ZINC001458156401 1066991089 /nfs/dbraw/zinc/99/10/89/1066991089.db2.gz JRGQXMZQQJEORW-MRXNPFEDSA-N 0 0 452.356 4.817 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228762 1066991342 /nfs/dbraw/zinc/99/13/42/1066991342.db2.gz OAJIXPQKUUZIRQ-XLIONFOSSA-N 0 0 457.368 4.765 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c(Br)c1 ZINC001449228759 1066991396 /nfs/dbraw/zinc/99/13/96/1066991396.db2.gz OAJIXPQKUUZIRQ-PXNSSMCTSA-N 0 0 457.368 4.765 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCSCC(C)C)c1ccccc1 ZINC001545731678 1066991581 /nfs/dbraw/zinc/99/15/81/1066991581.db2.gz RHCMEMQKTNWGAD-SYVJQLTCSA-N 0 0 472.699 4.984 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001458157296 1066991647 /nfs/dbraw/zinc/99/16/47/1066991647.db2.gz KJAHGFQOORJYEU-UHFFFAOYSA-N 0 0 453.205 4.729 20 0 JJADRN CCOc1cc(/C=C\C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)ccc1O ZINC001449235685 1066992174 /nfs/dbraw/zinc/99/21/74/1066992174.db2.gz ZIKIBTLZDBBMKV-YWEYNIOJSA-N 0 0 454.876 4.825 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC001458158710 1066992193 /nfs/dbraw/zinc/99/21/93/1066992193.db2.gz QCLGJJMJVMGCOC-UHFFFAOYSA-N 0 0 457.534 4.878 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC001458157633 1066992210 /nfs/dbraw/zinc/99/22/10/1066992210.db2.gz MZYOYLBRUXBFIQ-UHFFFAOYSA-N 0 0 450.358 4.767 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001449237042 1066992253 /nfs/dbraw/zinc/99/22/53/1066992253.db2.gz JDOAKZMKDWWKRG-IBGZPJMESA-N 0 0 450.391 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC001449241605 1066992293 /nfs/dbraw/zinc/99/22/93/1066992293.db2.gz OJIISHUIDIFGTD-RCANOQAISA-N 0 0 457.398 4.736 20 0 JJADRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc(Br)c2nccnc2c1 ZINC001449235259 1066992364 /nfs/dbraw/zinc/99/23/64/1066992364.db2.gz GHOAXQNWACZEIN-HNNXBMFYSA-N 0 0 455.139 4.553 20 0 JJADRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(-c2ccccn2)[nH]c1=O ZINC001449241283 1066992579 /nfs/dbraw/zinc/99/25/79/1066992579.db2.gz AUFVJOAFFSFHDW-UHFFFAOYSA-N 0 0 459.409 4.519 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)CC2)c1 ZINC001458160017 1066992715 /nfs/dbraw/zinc/99/27/15/1066992715.db2.gz BHSLEKYEIXGRGS-HSZRJFAPSA-N 0 0 456.428 4.552 20 0 JJADRN COc1cccc(OCCN2CCN(C(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)c1 ZINC001458160527 1066993128 /nfs/dbraw/zinc/99/31/28/1066993128.db2.gz LKGHCVPCKTZHJP-UHFFFAOYSA-N 0 0 458.986 4.507 20 0 JJADRN CCN(c1ccc(C(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)cc1)C(C)C ZINC001458165509 1066993941 /nfs/dbraw/zinc/99/39/41/1066993941.db2.gz AHSAUGKFCMHQBF-RDTXWAMCSA-N 0 0 450.461 4.845 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001545732463 1066994083 /nfs/dbraw/zinc/99/40/83/1066994083.db2.gz FCULZMFQGJYDTG-LSDHHAIUSA-N 0 0 455.393 4.532 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1)OC ZINC001546012524 1066994151 /nfs/dbraw/zinc/99/41/51/1066994151.db2.gz KGEKBUJNDXNMAL-NQYLQCIDSA-N 0 0 469.413 4.593 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC001545733127 1066994438 /nfs/dbraw/zinc/99/44/38/1066994438.db2.gz UXDFVAPYHXIQCU-FYYLOGMGSA-N 0 0 451.611 4.845 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC001545733130 1066994518 /nfs/dbraw/zinc/99/45/18/1066994518.db2.gz UXDFVAPYHXIQCU-JTHBVZDNSA-N 0 0 451.611 4.845 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)C1 ZINC001545732833 1066994573 /nfs/dbraw/zinc/99/45/73/1066994573.db2.gz NBZJYWYWHGRMEG-ZIAGYGMSSA-N 0 0 451.926 4.900 20 0 JJADRN CCCN(c1ncnc2cc(F)c(Br)cc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001458169248 1066994683 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Cc1ccc(OCC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC001458175716 1066997222 /nfs/dbraw/zinc/99/72/22/1066997222.db2.gz XYHBPSIZQKQQMR-UHFFFAOYSA-N 0 0 458.602 4.633 20 0 JJADRN CC(C)Cc1ccc(CCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC001458175687 1066997241 /nfs/dbraw/zinc/99/72/41/1066997241.db2.gz XNTLULHCHWKQNG-UHFFFAOYSA-N 0 0 456.030 4.644 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001546013025 1066997419 /nfs/dbraw/zinc/99/74/19/1066997419.db2.gz SPQQNKYDHZEKQQ-JOCHJYFZSA-N 0 0 492.668 4.603 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Oc1cccc(F)c1I ZINC001458176157 1066997532 /nfs/dbraw/zinc/99/75/32/1066997532.db2.gz RKVBVEARVJDKCW-VIFPVBQESA-N 0 0 454.157 4.822 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545734415 1066997613 /nfs/dbraw/zinc/99/76/13/1066997613.db2.gz SBUFFHJDPBCEKX-OAQYLSRUSA-N 0 0 461.601 4.949 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1C[C@H]1CCCN(C(C)=O)C1)c1ccccc1 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CN1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Br)cc21 ZINC001449327693 1067000089 /nfs/dbraw/zinc/00/00/89/1067000089.db2.gz OYKBFCYHINDWFY-KRWDZBQOSA-N 0 0 454.409 4.561 20 0 JJADRN COc1ccc(COCC(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC001458186404 1067000018 /nfs/dbraw/zinc/00/00/18/1067000018.db2.gz SNKYTBFERMXUCK-UHFFFAOYSA-N 0 0 450.882 4.634 20 0 JJADRN COCCOc1cncc(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)c1 ZINC001458186360 1067000202 /nfs/dbraw/zinc/00/02/02/1067000202.db2.gz SCYCGIMCUGVIBQ-UHFFFAOYSA-N 0 0 450.882 4.748 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)OC ZINC001546013159 1067000364 /nfs/dbraw/zinc/00/03/64/1067000364.db2.gz VVRGWLHKPMZSBH-QUCCMNQESA-N 0 0 473.618 4.879 20 0 JJADRN CCOC(=O)CN(C(=O)[C@@H](C)Oc1ccccc1F)[C@H](C)c1cccc(Br)c1 ZINC001458186806 1067000373 /nfs/dbraw/zinc/00/03/73/1067000373.db2.gz JNPUIITVQRLLGA-HUUCEWRRSA-N 0 0 452.320 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545736681 1067000414 /nfs/dbraw/zinc/00/04/14/1067000414.db2.gz UHXNUTGDRLOQQT-KCVHQNEMSA-N 0 0 465.667 4.723 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545736728 1067001052 /nfs/dbraw/zinc/00/10/52/1067001052.db2.gz UXGDXWGJCUDZRR-AESQFQPQSA-N 0 0 496.521 4.910 20 0 JJADRN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC001449336292 1067001133 /nfs/dbraw/zinc/00/11/33/1067001133.db2.gz NMXXODOBCIWHNL-MHECFPHRSA-N 0 0 455.396 4.772 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(C)nc(-c4cccs4)n3)CC2)c(Cl)c1 ZINC001458196539 1067001475 /nfs/dbraw/zinc/00/14/75/1067001475.db2.gz GLSNSJJSLLWHEQ-KRWDZBQOSA-N 0 0 456.999 4.591 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)NC1(C)CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001458194998 1067001599 /nfs/dbraw/zinc/00/15/99/1067001599.db2.gz PRUUGMSZVBKRHX-UHFFFAOYSA-N 0 0 454.954 4.528 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545738056 1067001665 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GDLWALWQYYIHFR-SFHVURJKSA-N 0 0 457.715 4.904 20 0 JJADRN O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001449351379 1067002323 /nfs/dbraw/zinc/00/23/23/1067002323.db2.gz BJSOTUBPHGBFQP-TZMCWYRMSA-N 0 0 453.404 4.947 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3c4ccccc4CC[C@@H]3C(C)C)CC2)c1 ZINC001458203657 1067002411 /nfs/dbraw/zinc/00/24/11/1067002411.db2.gz OOLZVFXBRPPTJL-XMMPIXPASA-N 0 0 450.579 4.560 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1c1ncc(Br)cc1F ZINC001458204221 1067002484 /nfs/dbraw/zinc/00/24/84/1067002484.db2.gz PUAHGRSCSZXFFC-MSOLQXFVSA-N 0 0 450.352 4.999 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(Nc2ncnc(C(F)(F)F)c2Br)cc1 ZINC001458201995 1067002553 /nfs/dbraw/zinc/00/25/53/1067002553.db2.gz HLLIJLOEQIVNKG-UHFFFAOYSA-N 0 0 453.284 4.543 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H]1CCCC1(C)C)c1ccccc1 ZINC001545738389 1067002505 /nfs/dbraw/zinc/00/25/05/1067002505.db2.gz HIUSADIBMLYSGY-RPWUZVMVSA-N 0 0 451.659 4.999 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CCCO)CC2)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545738367 1067002601 /nfs/dbraw/zinc/00/26/01/1067002601.db2.gz HDPGZQNIYUKHMY-BVAGGSTKSA-N 0 0 468.667 4.778 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)Nc1nc2ccc(Cl)cn2n1 ZINC001458203536 1067002581 /nfs/dbraw/zinc/00/25/81/1067002581.db2.gz MYYSEKKDZATLJE-UHFFFAOYSA-N 0 0 455.946 4.588 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545738404 1067002676 /nfs/dbraw/zinc/00/26/76/1067002676.db2.gz HMNUNGQFDPQANY-HXUWFJFHSA-N 0 0 465.564 4.857 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CCCO)CC2)n1Cc1nccc(C(F)F)n1)c1ccccc1 ZINC001545738523 1067002854 /nfs/dbraw/zinc/00/28/54/1067002854.db2.gz JLXLRJUFAAAHGV-FQEVSTJZSA-N 0 0 470.568 4.585 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1OCc1ccc(Cl)cc1 ZINC001449356023 1067002862 /nfs/dbraw/zinc/00/28/62/1067002862.db2.gz MIBZTOJQZVQTSR-FUHWJXTLSA-N 0 0 457.876 4.561 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449355350 1067002918 /nfs/dbraw/zinc/00/29/18/1067002918.db2.gz HGQGBYACDRIGQU-QFIPXVFZSA-N 0 0 457.496 4.543 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738428 1067002975 /nfs/dbraw/zinc/00/29/75/1067002975.db2.gz HYWABWBMIOGIEM-LADGPHEKSA-N 0 0 464.658 4.999 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545738521 1067002993 /nfs/dbraw/zinc/00/29/93/1067002993.db2.gz JLLKVIOQKUCLPX-FQEVSTJZSA-N 0 0 465.564 4.761 20 0 JJADRN O=C([C@@H]1CCc2cc(Br)ccc21)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458207867 1067003174 /nfs/dbraw/zinc/00/31/74/1067003174.db2.gz CRQLCGPPYPCJSH-LJQANCHMSA-N 0 0 453.302 4.847 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CCCCC1 ZINC001449357761 1067003199 /nfs/dbraw/zinc/00/31/99/1067003199.db2.gz NLFYNLHQONJQFO-HSZRJFAPSA-N 0 0 452.595 4.976 20 0 JJADRN O=C(NCc1ccc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1)c1cccs1 ZINC001458209383 1067003557 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BHBCHBWFEMIAOQ-UHFFFAOYSA-N 0 0 455.381 4.906 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545739342 1067004698 /nfs/dbraw/zinc/00/46/98/1067004698.db2.gz YITZZGHPCXBMOM-GGAORHGYSA-N 0 0 493.618 4.957 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545739344 1067004720 /nfs/dbraw/zinc/00/47/20/1067004720.db2.gz YITZZGHPCXBMOM-JTHBVZDNSA-N 0 0 493.618 4.957 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001449368940 1067004786 /nfs/dbraw/zinc/00/47/86/1067004786.db2.gz JYYRNJBNHLBYTH-AEFFLSMTSA-N 0 0 454.514 4.556 20 0 JJADRN CCOC(=O)c1cnc(N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC001458215753 1067004816 /nfs/dbraw/zinc/00/48/16/1067004816.db2.gz VNSZWNWLNKYQFU-GOSISDBHSA-N 0 0 450.969 4.578 20 0 JJADRN Cc1sc(Br)c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1C ZINC001458215531 1067004939 /nfs/dbraw/zinc/00/49/39/1067004939.db2.gz VNZYYAIQMIDDEB-SOUVJXGZSA-N 0 0 457.434 4.893 20 0 JJADRN CC[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(OC)c(OC)c1 ZINC001449376852 1067005233 /nfs/dbraw/zinc/00/52/33/1067005233.db2.gz ZQXZXPUEFIWQPO-NRFANRHFSA-N 0 0 454.567 4.878 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(C2CC2)cnc1Cl)c1cccc(Br)c1 ZINC001458216623 1067005213 /nfs/dbraw/zinc/00/52/13/1067005213.db2.gz QZVWYNSVFOMVAN-KRWDZBQOSA-N 0 0 451.748 4.799 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001458216254 1067005250 /nfs/dbraw/zinc/00/52/50/1067005250.db2.gz ZNLYLVPKBJTDLN-SAKMYQHLSA-N 0 0 456.505 4.625 20 0 JJADRN CC[C@]1(C)CCN(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 ZINC001545739729 1067005334 /nfs/dbraw/zinc/00/53/34/1067005334.db2.gz HJJUVSFRZKQXGQ-RUZDIDTESA-N 0 0 450.608 4.895 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc(Cn4cc(Br)cn4)cc3)CCC2)cc1 ZINC001458218528 1067005908 /nfs/dbraw/zinc/00/59/08/1067005908.db2.gz YBWPOSQNCKSJTP-UHFFFAOYSA-N 0 0 454.368 4.554 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001458217797 1067005932 /nfs/dbraw/zinc/00/59/32/1067005932.db2.gz CDVVRGVWSALWSL-OAHLLOKOSA-N 0 0 453.612 4.982 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCOc1cncc(Cl)c1)CC1CCCCC1 ZINC001449386464 1067005990 /nfs/dbraw/zinc/00/59/90/1067005990.db2.gz PDQFLZWULWTZRR-LJQANCHMSA-N 0 0 454.011 4.874 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545740831 1067006154 /nfs/dbraw/zinc/00/61/54/1067006154.db2.gz DZFNRMDUYVGCDV-PKTZIBPZSA-N 0 0 483.657 4.883 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1)OCc1ccccc1 ZINC001458219639 1067006184 /nfs/dbraw/zinc/00/61/84/1067006184.db2.gz PJJBELCRYHYVSF-MAEOIBBWSA-N 0 0 458.440 4.535 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546098149 1067006201 /nfs/dbraw/zinc/00/62/01/1067006201.db2.gz XYVYQWRWSWCNGQ-MUUNZHRXSA-N 0 0 493.652 4.698 20 0 JJADRN CC[C@H](c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545740833 1067006302 /nfs/dbraw/zinc/00/63/02/1067006302.db2.gz FBGQXQPFPPBHIN-FQEVSTJZSA-N 0 0 478.563 4.547 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545740914 1067006475 /nfs/dbraw/zinc/00/64/75/1067006475.db2.gz GLDRKLJMZWZSLY-DMDYGQEQSA-N 0 0 481.685 4.718 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccoc1)c1ccccc1 ZINC001545740927 1067006608 /nfs/dbraw/zinc/00/66/08/1067006608.db2.gz GPHNAAWYKRMMGJ-FCHUYYIVSA-N 0 0 465.598 4.907 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N(CC1CCOCC1)OC ZINC001449401948 1067006763 /nfs/dbraw/zinc/00/67/63/1067006763.db2.gz CWZFGHNOZKFHBP-UHFFFAOYSA-N 0 0 459.534 4.764 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545740989 1067006851 /nfs/dbraw/zinc/00/68/51/1067006851.db2.gz HRQORPVWXVFJJM-JOCHJYFZSA-N 0 0 481.666 4.705 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1OCCC1(C)C)c1ccccc1 ZINC001545741153 1067007173 /nfs/dbraw/zinc/00/71/73/1067007173.db2.gz KTWGWSRYSIGTLA-BDTNDASRSA-N 0 0 483.657 4.739 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)nc1)c1ccccc1 ZINC001545741219 1067007195 /nfs/dbraw/zinc/00/71/95/1067007195.db2.gz LZETWTKDSOSWIR-GOTSBHOMSA-N 0 0 476.625 4.675 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCc3ccccc3)n2Cc2csc([C@@H](C)OC)n2)CCO1 ZINC001546098231 1067007225 /nfs/dbraw/zinc/00/72/25/1067007225.db2.gz ZVHMXCXGBOKCSG-KBMIEXCESA-N 0 0 469.655 4.671 20 0 JJADRN O=C(Nc1ccc2cccc(Cl)c2n1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458227147 1067007518 /nfs/dbraw/zinc/00/75/18/1067007518.db2.gz AUDCXXREVTXAJY-HNNXBMFYSA-N 0 0 459.880 4.981 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2nn(-c3ccccc3)cc2Br)C(F)(F)F)cc1 ZINC001458226602 1067007527 /nfs/dbraw/zinc/00/75/27/1067007527.db2.gz BHBRALIRWKGAFR-QGZVFWFLSA-N 0 0 454.246 4.677 20 0 JJADRN CC[C@@H](Cn1c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546014019 1067007542 /nfs/dbraw/zinc/00/75/42/1067007542.db2.gz ABLPUZZAUQDORE-QPPBQGQZSA-N 0 0 481.685 4.550 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001545741331 1067007551 /nfs/dbraw/zinc/00/75/51/1067007551.db2.gz ONFCSMHBQYPAGB-UFHPHHKVSA-N 0 0 496.700 4.582 20 0 JJADRN CC[C@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC1CCCC1)c1ccccc1 ZINC001545741303 1067007568 /nfs/dbraw/zinc/00/75/68/1067007568.db2.gz NXXXZMJKRXOIJA-DEOSSOPVSA-N 0 0 487.714 4.651 20 0 JJADRN CCOC(=O)[C@H](CC)Sc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458229357 1067007800 /nfs/dbraw/zinc/00/78/00/1067007800.db2.gz KTMOWAVODKPBFW-SFHVURJKSA-N 0 0 457.621 4.624 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCCCc2ccc(Cl)s2)C1(C)C ZINC001449408029 1067007875 /nfs/dbraw/zinc/00/78/75/1067007875.db2.gz VCMPJMNTNBCTPW-AOMKIAJQSA-N 0 0 459.052 4.939 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(c2cc(SCc3ccccc3)ncn2)CC1 ZINC001458230566 1067008071 /nfs/dbraw/zinc/00/80/71/1067008071.db2.gz KSOXUJXZHOSMOW-UHFFFAOYSA-N 0 0 458.628 4.669 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545741564 1067008216 /nfs/dbraw/zinc/00/82/16/1067008216.db2.gz SMSPNRXAKDXKBL-SNJCGAMXSA-N 0 0 485.673 4.985 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(F)c(C)c2N)c1 ZINC001449415745 1067008841 /nfs/dbraw/zinc/00/88/41/1067008841.db2.gz SUUVEGVMILPABQ-UHFFFAOYSA-N 0 0 455.555 4.964 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)c1 ZINC001449419616 1067008877 /nfs/dbraw/zinc/00/88/77/1067008877.db2.gz FBJJAILCCYQMAW-JOCHJYFZSA-N 0 0 458.555 4.662 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N[C@@H](CO)c3cccc(Br)c3)c2)c1 ZINC001546098271 1067008896 /nfs/dbraw/zinc/00/88/96/1067008896.db2.gz AGEZZYHOASYLFE-QHCPKHFHSA-N 0 0 454.364 4.729 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC(C)C)CC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001545742939 1067009338 /nfs/dbraw/zinc/00/93/38/1067009338.db2.gz AUDMWOCWHUQBGW-XMMPIXPASA-N 0 0 481.685 4.862 20 0 JJADRN CC[C@H](NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1)[C@@H](C)O ZINC001449420897 1067009259 /nfs/dbraw/zinc/00/92/59/1067009259.db2.gz ANKGYFDUWRXYTK-DWXRJYCRSA-N 0 0 458.558 4.615 20 0 JJADRN CCCc1c(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cnn1Cc1ccccc1 ZINC001458234679 1067009325 /nfs/dbraw/zinc/00/93/25/1067009325.db2.gz YYFDJWAKFXRXGB-SANMLTNESA-N 0 0 454.615 4.651 20 0 JJADRN C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 ZINC001458234949 1067009430 /nfs/dbraw/zinc/00/94/30/1067009430.db2.gz TZGGPQIAKXIDTO-JTQLQIEISA-N 0 0 450.103 4.854 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC(C)C)CC2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545743120 1067009675 /nfs/dbraw/zinc/00/96/75/1067009675.db2.gz DXHAOLSSAVGXPY-JOCHJYFZSA-N 0 0 467.589 4.827 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](OCCOC)C2)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545743245 1067009871 /nfs/dbraw/zinc/00/98/71/1067009871.db2.gz GWAVFDKAQKZJBN-SFTDATJTSA-N 0 0 483.682 4.864 20 0 JJADRN Ic1cc2ncnc(N(Cc3cccs3)C[C@@H]3CCCO3)c2s1 ZINC001458239526 1067009986 /nfs/dbraw/zinc/00/99/86/1067009986.db2.gz ORBNYLVFSVVVAH-NSHDSACASA-N 0 0 457.362 4.543 20 0 JJADRN CC[C@@H](Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546014470 1067010064 /nfs/dbraw/zinc/01/00/64/1067010064.db2.gz JBAOMESVRNZMIL-SFHVURJKSA-N 0 0 456.566 4.648 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545743695 1067010187 /nfs/dbraw/zinc/01/01/87/1067010187.db2.gz PJOFUTPDJKYXKO-QHCPKHFHSA-N 0 0 450.631 4.694 20 0 JJADRN CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCOCCC(C)C)c1ccccc1 ZINC001545743782 1067010521 /nfs/dbraw/zinc/01/05/21/1067010521.db2.gz QPCKTZBDDMAXGU-FQEVSTJZSA-N 0 0 468.564 4.776 20 0 JJADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)C1 ZINC001449472539 1067010785 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JNPBVTWGNMILJF-QHCPKHFHSA-N 0 0 456.395 4.834 20 0 JJADRN CC[C@H](Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546014657 1067011223 /nfs/dbraw/zinc/01/12/23/1067011223.db2.gz MDUDKSPXXWOZAW-HNVPCBRESA-N 0 0 456.631 4.518 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001458246114 1067011407 /nfs/dbraw/zinc/01/14/07/1067011407.db2.gz MICKOOVNGHENIH-SMDDNHRTSA-N 0 0 455.274 4.641 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001546014721 1067011628 /nfs/dbraw/zinc/01/16/28/1067011628.db2.gz MWAYKAFTDNOYNR-HSZRJFAPSA-N 0 0 499.725 4.969 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCCc1c(C)n[nH]c1C ZINC001449515496 1067012370 /nfs/dbraw/zinc/01/23/70/1067012370.db2.gz RXPVTZZDNWCWAM-UHFFFAOYSA-N 0 0 453.534 4.646 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001458252490 1067012443 /nfs/dbraw/zinc/01/24/43/1067012443.db2.gz IAHNVQFQLZRZGX-UHFFFAOYSA-N 0 0 453.713 4.768 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)OC ZINC001546015030 1067012640 /nfs/dbraw/zinc/01/26/40/1067012640.db2.gz SJQPTRGJXPXEAL-ZWKOTPCHSA-N 0 0 472.577 4.852 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001546015015 1067012736 /nfs/dbraw/zinc/01/27/36/1067012736.db2.gz SELOFIBIIWQDEP-KRWDZBQOSA-N 0 0 474.030 4.615 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC001458252583 1067012881 /nfs/dbraw/zinc/01/28/81/1067012881.db2.gz LIALLKHJORZJOV-UHFFFAOYSA-N 0 0 454.246 4.843 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)C1 ZINC001458253556 1067012924 /nfs/dbraw/zinc/01/29/24/1067012924.db2.gz OCAWHKDJEJKFEZ-HKUYNNGSSA-N 0 0 457.615 4.906 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)C1 ZINC001458253568 1067012985 /nfs/dbraw/zinc/01/29/85/1067012985.db2.gz OCAWHKDJEJKFEZ-IEBWSBKVSA-N 0 0 457.615 4.906 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001449527262 1067013136 /nfs/dbraw/zinc/01/31/36/1067013136.db2.gz BSKODJRGKJEUOC-QFIPXVFZSA-N 0 0 453.366 4.656 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545745900 1067013052 /nfs/dbraw/zinc/01/30/52/1067013052.db2.gz IBPRZNOKYBBHCV-YMPZKCBVSA-N 0 0 471.715 4.950 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1([S@@](C)=O)CCC1)c1ccccc1 ZINC001545745860 1067013203 /nfs/dbraw/zinc/01/32/03/1067013203.db2.gz HOYPBQGWYYMBFU-HMBVCUQOSA-N 0 0 468.589 4.900 20 0 JJADRN CC[C@H](Cn1c(N(CC)C[C@H]2COc3ccccc3O2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015143 1067013276 /nfs/dbraw/zinc/01/32/76/1067013276.db2.gz VCNUBJVEDLQJBN-MOPGFXCFSA-N 0 0 487.645 4.545 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545746102 1067013480 /nfs/dbraw/zinc/01/34/80/1067013480.db2.gz KCCHRKQMKFKJRJ-WOJBJXKFSA-N 0 0 486.604 4.814 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)c(I)c2)cnc1N1CCCC[C@H]1C ZINC001458255581 1067013482 /nfs/dbraw/zinc/01/34/82/1067013482.db2.gz GRJLSZOILKXUGK-CYBMUJFWSA-N 0 0 453.299 4.765 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001458254960 1067013544 /nfs/dbraw/zinc/01/35/44/1067013544.db2.gz SARIIMGEOARCCP-DOTOQJQBSA-N 0 0 452.477 4.865 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458255019 1067013667 /nfs/dbraw/zinc/01/36/67/1067013667.db2.gz ILCVFYZCBGVMQD-KPDCDPCYSA-N 0 0 458.961 4.991 20 0 JJADRN CC[C@H](c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545746063 1067013584 /nfs/dbraw/zinc/01/35/84/1067013584.db2.gz JVTTUMYZWHYGLA-NRFANRHFSA-N 0 0 481.442 4.818 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001545746219 1067013808 /nfs/dbraw/zinc/01/38/08/1067013808.db2.gz LSMQEJBQZWKPCS-PWRODBHTSA-N 0 0 457.619 4.953 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1C[C@H](F)COC)c1ccccc1 ZINC001545746220 1067013820 /nfs/dbraw/zinc/01/38/20/1067013820.db2.gz LSMQEJBQZWKPCS-QHAWAJNXSA-N 0 0 457.619 4.953 20 0 JJADRN CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546015215 1067013776 /nfs/dbraw/zinc/01/37/76/1067013776.db2.gz WCGGRSLGDNUMBN-VQTJNVASSA-N 0 0 487.645 4.651 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001449534405 1067013817 /nfs/dbraw/zinc/01/38/17/1067013817.db2.gz SBJHJRUPKGBEFN-VQTJNVASSA-N 0 0 452.517 4.914 20 0 JJADRN COc1ccc(C2(C(=O)N[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC001458256444 1067013867 /nfs/dbraw/zinc/01/38/67/1067013867.db2.gz KNYDAHOWJFLXDU-JTHBVZDNSA-N 0 0 458.961 4.776 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cs1 ZINC001449535790 1067014079 /nfs/dbraw/zinc/01/40/79/1067014079.db2.gz UWWSBCAWERWPCZ-GFCCVEGCSA-N 0 0 455.502 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C1 ZINC001449540598 1067014104 /nfs/dbraw/zinc/01/41/04/1067014104.db2.gz OJSMMZJRPUPCJJ-GHMZBOCLSA-N 0 0 465.786 4.572 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1 ZINC001545746345 1067014281 /nfs/dbraw/zinc/01/42/81/1067014281.db2.gz NLUAPXMBXQQWFK-SSGKUCQKSA-N 0 0 481.685 4.752 20 0 JJADRN CC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546015443 1067014492 /nfs/dbraw/zinc/01/44/92/1067014492.db2.gz ZWITUNZXYSHCFO-GUDVDZBRSA-N 0 0 489.686 4.975 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545746501 1067014582 /nfs/dbraw/zinc/01/45/82/1067014582.db2.gz PTYKEBISZKAAEL-GUWPIRDISA-N 0 0 467.658 4.507 20 0 JJADRN CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545746505 1067014608 /nfs/dbraw/zinc/01/46/08/1067014608.db2.gz PUGXOESVWVSYKV-IBGZPJMESA-N 0 0 486.389 4.922 20 0 JJADRN CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545746506 1067014649 /nfs/dbraw/zinc/01/46/49/1067014649.db2.gz PUGXOESVWVSYKV-LJQANCHMSA-N 0 0 486.389 4.922 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545746482 1067014663 /nfs/dbraw/zinc/01/46/63/1067014663.db2.gz PKJZANCZUJWKPQ-PWRODBHTSA-N 0 0 457.688 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)c(C)s3)C2)n1CCCNC(C)=O)c1ccccc1 ZINC001545746569 1067014758 /nfs/dbraw/zinc/01/47/58/1067014758.db2.gz RBCIORVZSFCZBP-DHIUTWEWSA-N 0 0 480.682 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CC[S@](=O)CC)c1ccccc1 ZINC001545746469 1067014767 /nfs/dbraw/zinc/01/47/67/1067014767.db2.gz PHNSWKJTBMRMRP-WJXDBAKQSA-N 0 0 471.696 4.738 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3ccccc3)cc2Br)cnc1N1CCCC[C@@H]1C ZINC001458259469 1067014908 /nfs/dbraw/zinc/01/49/08/1067014908.db2.gz QIICUMRSOREMDR-INIZCTEOSA-N 0 0 454.372 4.969 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001449572450 1067015083 /nfs/dbraw/zinc/01/50/83/1067015083.db2.gz SJYAPUABYSENPN-ZCNNSNEGSA-N 0 0 475.383 4.696 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC(C)(C)C(C)(C)O ZINC001449570874 1067015313 /nfs/dbraw/zinc/01/53/13/1067015313.db2.gz ORBAROOGGQOKKG-CQSZACIVSA-N 0 0 459.637 4.599 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@](C)(O)c1cccs1)c1ccccc1 ZINC001545746620 1067015232 /nfs/dbraw/zinc/01/52/32/1067015232.db2.gz RVQMTQKSAHGZOR-ZPZUNKDASA-N 0 0 454.640 4.795 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458260379 1067015378 /nfs/dbraw/zinc/01/53/78/1067015378.db2.gz AIWZUPZJOSCZFO-OGMTXWBYSA-N 0 0 450.888 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CSc2ncnc(C(F)(F)F)c2Br)CC1 ZINC001458262232 1067015518 /nfs/dbraw/zinc/01/55/18/1067015518.db2.gz ODCCPTJNSYJESK-UHFFFAOYSA-N 0 0 456.328 4.997 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260851 1067015606 /nfs/dbraw/zinc/01/56/06/1067015606.db2.gz LNKWSHWOLGANCB-QFIPXVFZSA-N 0 0 459.377 4.980 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(Oc3ncnc4ccc(Br)cc43)c2)ccn1 ZINC001458262674 1067015723 /nfs/dbraw/zinc/01/57/23/1067015723.db2.gz OQWKOBXXNGVUGC-UHFFFAOYSA-N 0 0 451.280 4.732 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C)C2)n1CCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545746904 1067015755 /nfs/dbraw/zinc/01/57/55/1067015755.db2.gz WXWUUQKHJIDKGV-PKOBYXMFSA-N 0 0 473.547 4.977 20 0 JJADRN COCC[C@@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001449582514 1067015997 /nfs/dbraw/zinc/01/59/97/1067015997.db2.gz NWDQZEWDLJAACE-QXAKKESOSA-N 0 0 458.521 4.983 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001458263417 1067016074 /nfs/dbraw/zinc/01/60/74/1067016074.db2.gz HMAOEJCEAPHBJU-LDVBQKTRSA-N 0 0 451.979 4.645 20 0 JJADRN CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545746985 1067016496 /nfs/dbraw/zinc/01/64/96/1067016496.db2.gz XVTBUJFUVFPFKY-SONOPUAISA-N 0 0 479.488 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 ZINC001449594115 1067016643 /nfs/dbraw/zinc/01/66/43/1067016643.db2.gz OXLAHNLUMRVFCG-OAQYLSRUSA-N 0 0 457.546 4.978 20 0 JJADRN CC1(C)C[C@H](O)CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 ZINC001449596621 1067016824 /nfs/dbraw/zinc/01/68/24/1067016824.db2.gz PBPFCIHZEYFWDQ-OAHLLOKOSA-N 0 0 453.764 4.913 20 0 JJADRN O=C(Cc1ccc(I)cc1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449598071 1067017013 /nfs/dbraw/zinc/01/70/13/1067017013.db2.gz DAHXHDQUGFCUTJ-UHFFFAOYSA-N 0 0 455.286 4.593 20 0 JJADRN Cc1nn(C)c(C)c1-c1cc(C(=O)NC2(c3ccccc3Br)CCCCC2)[nH]n1 ZINC001449599690 1067017091 /nfs/dbraw/zinc/01/70/91/1067017091.db2.gz PNXLYHZHTHWHLF-UHFFFAOYSA-N 0 0 456.388 4.779 20 0 JJADRN O=C(N[C@H](CO)c1cccc(Br)c1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001546098822 1067016935 /nfs/dbraw/zinc/01/69/35/1067016935.db2.gz OOGZTGAFGYAHQO-NXADEVLQSA-N 0 0 450.201 4.767 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)nc1 ZINC001458271083 1067017211 /nfs/dbraw/zinc/01/72/11/1067017211.db2.gz FEWNRVKUOYNCIE-OAQYLSRUSA-N 0 0 458.436 4.805 20 0 JJADRN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC001458271803 1067017224 /nfs/dbraw/zinc/01/72/24/1067017224.db2.gz ACKDBNCPOYTRND-NSHDSACASA-N 0 0 451.413 4.744 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1)NC(N)=O ZINC001449608024 1067017219 /nfs/dbraw/zinc/01/72/19/1067017219.db2.gz OXJGALXGBSUOTK-FGZHOGPDSA-N 0 0 458.587 4.804 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC001458271417 1067017292 /nfs/dbraw/zinc/01/72/92/1067017292.db2.gz FTFNWTQDYNWXSM-GGAORHGYSA-N 0 0 459.512 4.501 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)CCN2C(=O)COc3ccccc32)cc1 ZINC001458271747 1067017340 /nfs/dbraw/zinc/01/73/40/1067017340.db2.gz JMBRUTQXSXFNKK-UHFFFAOYSA-N 0 0 458.558 4.820 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1)NC(N)=O ZINC001449608004 1067017414 /nfs/dbraw/zinc/01/74/14/1067017414.db2.gz OXJGALXGBSUOTK-FCHUYYIVSA-N 0 0 458.587 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545748585 1067017401 /nfs/dbraw/zinc/01/74/01/1067017401.db2.gz CEXDFVLJOBBUEB-WOIUINJBSA-N 0 0 469.655 4.895 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC001458272049 1067017581 /nfs/dbraw/zinc/01/75/81/1067017581.db2.gz LMQQIWMWGGPXPY-LJQANCHMSA-N 0 0 459.516 4.735 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC[S@@]1=O ZINC001449610177 1067018029 /nfs/dbraw/zinc/01/80/29/1067018029.db2.gz PVEPQCQSRYQKNX-MHZLTWQESA-N 0 0 454.361 4.754 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001449625451 1067018499 /nfs/dbraw/zinc/01/84/99/1067018499.db2.gz QLAMSYRGWGSYRU-INIZCTEOSA-N 0 0 456.578 4.890 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2CSC)n1CC1(S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001545748819 1067018558 /nfs/dbraw/zinc/01/85/58/1067018558.db2.gz GFJJVHLSQNXLCK-RTWAWAEBSA-N 0 0 476.712 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC001449644671 1067018750 /nfs/dbraw/zinc/01/87/50/1067018750.db2.gz XNQQIKJSFNUIPB-UHFFFAOYSA-N 0 0 452.324 4.675 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@H]3CCCC[C@@H]3c3ccccc3)[nH]n2)C1 ZINC001449634215 1067018763 /nfs/dbraw/zinc/01/87/63/1067018763.db2.gz COHOVOWSAXLVHA-QHAWAJNXSA-N 0 0 452.599 4.838 20 0 JJADRN Cc1ccc(-n2nc(C(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)c3c2CCC3)c(C)c1 ZINC001458274617 1067019175 /nfs/dbraw/zinc/01/91/75/1067019175.db2.gz RFPIJASSUHVTPZ-UHFFFAOYSA-N 0 0 459.518 4.571 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCc1nccs1)c1ccccc1 ZINC001545749292 1067019244 /nfs/dbraw/zinc/01/92/44/1067019244.db2.gz MOCYQNJWJVIJRU-NHCUHLMSSA-N 0 0 480.682 4.650 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545749086 1067019294 /nfs/dbraw/zinc/01/92/94/1067019294.db2.gz JYFACLXCUMTORX-QZTJIDSGSA-N 0 0 451.537 4.513 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001458277637 1067019564 /nfs/dbraw/zinc/01/95/64/1067019564.db2.gz NDELGKCIKZCIBS-MZMPZRCHSA-N 0 0 455.393 4.718 20 0 JJADRN COc1cc(Br)ccc1CCCNc1ccc2nnc(-c3ccc(F)cc3)n2n1 ZINC001458279958 1067020167 /nfs/dbraw/zinc/02/01/67/1067020167.db2.gz QMAWODYHLGPAMW-UHFFFAOYSA-N 0 0 456.319 4.746 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2C2CCC2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545749399 1067020234 /nfs/dbraw/zinc/02/02/34/1067020234.db2.gz NKSRHUBRRAERKR-VXKWHMMOSA-N 0 0 458.672 4.802 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001449688554 1067020224 /nfs/dbraw/zinc/02/02/24/1067020224.db2.gz WSDQYJBBCUWJTP-QFBILLFUSA-N 0 0 459.587 4.959 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545749411 1067020288 /nfs/dbraw/zinc/02/02/88/1067020288.db2.gz NOLFILXNKPJDNS-KELGSRBJSA-N 0 0 451.659 4.997 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001458282143 1067020331 /nfs/dbraw/zinc/02/03/31/1067020331.db2.gz LUTMYHSMOBTMBM-GBLZOACLSA-N 0 0 453.341 4.630 20 0 JJADRN CCCN1c2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2CCC1=O ZINC001458280266 1067020474 /nfs/dbraw/zinc/02/04/74/1067020474.db2.gz VVSFBUSJWMLJIL-UHFFFAOYSA-N 0 0 453.627 4.960 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449692142 1067020800 /nfs/dbraw/zinc/02/08/00/1067020800.db2.gz HXUMSQNXJNUMJL-IVAOSVALSA-N 0 0 479.662 4.566 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545749900 1067021411 /nfs/dbraw/zinc/02/14/11/1067021411.db2.gz VMAKCKRRLUVNBD-SFTDATJTSA-N 0 0 467.589 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)cc2C1 ZINC001449703562 1067021455 /nfs/dbraw/zinc/02/14/55/1067021455.db2.gz WUIFUADYWNXQAX-UHFFFAOYSA-N 0 0 457.477 4.573 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC001458287704 1067021830 /nfs/dbraw/zinc/02/18/30/1067021830.db2.gz SKZKPYALPRDZCV-UHFFFAOYSA-N 0 0 452.605 4.905 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc(Oc4ccccn4)c3)C2)C1 ZINC001449706759 1067021950 /nfs/dbraw/zinc/02/19/50/1067021950.db2.gz QIMYFRIHZYTNSQ-NHCUHLMSSA-N 0 0 451.567 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3cccc(Oc4ccccn4)c3)C2)C1 ZINC001449706753 1067021965 /nfs/dbraw/zinc/02/19/65/1067021965.db2.gz QIMYFRIHZYTNSQ-LEWJYISDSA-N 0 0 451.567 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)C2)C1 ZINC001449708978 1067022025 /nfs/dbraw/zinc/02/20/25/1067022025.db2.gz RIFBFQBKTUQHCP-CMKODMSKSA-N 0 0 450.526 4.582 20 0 JJADRN COc1cc([C@@H](NC(=O)Cc2ccc(OCC(C)C)cc2)C(F)(F)F)cc(OC)c1OC ZINC001458289473 1067022195 /nfs/dbraw/zinc/02/21/95/1067022195.db2.gz GQBSPTUXKOMXLZ-JOCHJYFZSA-N 0 0 455.473 4.710 20 0 JJADRN Cc1nc2sc(-c3ccccc3)cc2c(NCCOc2ccc(NS(C)(=O)=O)cc2)n1 ZINC001458288729 1067022215 /nfs/dbraw/zinc/02/22/15/1067022215.db2.gz YMEVFVSOZYIOHP-UHFFFAOYSA-N 0 0 454.577 4.529 20 0 JJADRN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001458289204 1067022409 /nfs/dbraw/zinc/02/24/09/1067022409.db2.gz NEMFJILUIKQDFF-UHFFFAOYSA-N 0 0 450.926 4.511 20 0 JJADRN Cn1nccc1[C@@H]1C[C@@H](NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCO1 ZINC001449710905 1067022541 /nfs/dbraw/zinc/02/25/41/1067022541.db2.gz YSCRFWCEOWQVSC-SSPYTLHUSA-N 0 0 456.011 4.933 20 0 JJADRN COc1cc([C@H](NC(=O)Cc2ccc(OCC(C)C)cc2)C(F)(F)F)cc(OC)c1OC ZINC001458289474 1067022571 /nfs/dbraw/zinc/02/25/71/1067022571.db2.gz GQBSPTUXKOMXLZ-QFIPXVFZSA-N 0 0 455.473 4.710 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)c(Br)c1 ZINC001458293074 1067023241 /nfs/dbraw/zinc/02/32/41/1067023241.db2.gz RJFSFJGPCRQRIM-GFCCVEGCSA-N 0 0 450.333 4.691 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 ZINC001458293953 1067023377 /nfs/dbraw/zinc/02/33/77/1067023377.db2.gz VRMUXZHDERRSER-GFCCVEGCSA-N 0 0 457.162 4.785 20 0 JJADRN CC[C@@H](c1nnc(N2CCCO[C@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545751312 1067023348 /nfs/dbraw/zinc/02/33/48/1067023348.db2.gz CUEUASFLDVWVPS-UYAOXDASSA-N 0 0 493.599 4.595 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001545751285 1067023408 /nfs/dbraw/zinc/02/34/08/1067023408.db2.gz CCZFGLNFMPVNOD-CJFMBICVSA-N 0 0 457.569 4.528 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)c2cc(Cl)ccc2OC(C)C)cc1Br ZINC001449732333 1067023613 /nfs/dbraw/zinc/02/36/13/1067023613.db2.gz MVEAWOARDLOYJJ-INIZCTEOSA-N 0 0 454.792 4.779 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC001449731490 1067023870 /nfs/dbraw/zinc/02/38/70/1067023870.db2.gz KYBYEMBMYUVKJB-APWZRJJASA-N 0 0 454.792 4.536 20 0 JJADRN CSc1ncc(I)c(N2CCCC[C@@H]2c2nc3ccccc3o2)n1 ZINC001458295357 1067024181 /nfs/dbraw/zinc/02/41/81/1067024181.db2.gz GQFXBSRTMMUIEA-CYBMUJFWSA-N 0 0 452.321 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001449740072 1067024187 /nfs/dbraw/zinc/02/41/87/1067024187.db2.gz GRRPCFMRRUYKAY-RTWAWAEBSA-N 0 0 458.647 4.789 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)Cc3csc(COc4ccc(C)cc4)n3)cc2Cl)n[nH]1 ZINC001458296680 1067024538 /nfs/dbraw/zinc/02/45/38/1067024538.db2.gz KAMVRRXBMQPVDE-UHFFFAOYSA-N 0 0 453.955 4.959 20 0 JJADRN CCCc1sc(C(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)cc1CC ZINC001449744484 1067024798 /nfs/dbraw/zinc/02/47/98/1067024798.db2.gz ACQKROKCNVUCCB-OAHLLOKOSA-N 0 0 454.430 4.615 20 0 JJADRN NC(=O)c1cc(Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)nc(Cl)n1 ZINC001458297717 1067024770 /nfs/dbraw/zinc/02/47/70/1067024770.db2.gz ZHARDXMGVASOGI-UHFFFAOYSA-N 0 0 454.662 4.757 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001458298638 1067024957 /nfs/dbraw/zinc/02/49/57/1067024957.db2.gz WPZZQXDVQFAOJJ-XMNZWCOLSA-N 0 0 456.558 4.500 20 0 JJADRN CN(C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449747810 1067025080 /nfs/dbraw/zinc/02/50/80/1067025080.db2.gz GXCZKPYZZQOPJL-BRLSKQCNSA-N 0 0 450.579 4.883 20 0 JJADRN COC[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449745946 1067025316 /nfs/dbraw/zinc/02/53/16/1067025316.db2.gz OKOHXFVQHOMBHZ-RBBKRZOGSA-N 0 0 458.986 4.548 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)N[C@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)c2)o1 ZINC001458305227 1067025690 /nfs/dbraw/zinc/02/56/90/1067025690.db2.gz VKWQOSIGLOHNOT-HXUWFJFHSA-N 0 0 455.440 4.881 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(c1ccc(N(C)C)cc1)[C@H](C)c1ccccn1 ZINC001458307467 1067026113 /nfs/dbraw/zinc/02/61/13/1067026113.db2.gz BRBQHSXEYNVTOS-GOSISDBHSA-N 0 0 459.516 4.860 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](C)C2)n1CC1(OCCOC)CCOCC1)c1ccccc1 ZINC001545752025 1067026118 /nfs/dbraw/zinc/02/61/18/1067026118.db2.gz PLALOHHGOCOGCH-UPVQGACJSA-N 0 0 470.658 4.659 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545751954 1067026207 /nfs/dbraw/zinc/02/62/07/1067026207.db2.gz NYWUUKKTXHWHAG-NHCUHLMSSA-N 0 0 457.688 4.847 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)c2cc3c(ccnc3Cl)s2)cc1Br ZINC001449766453 1067026376 /nfs/dbraw/zinc/02/63/76/1067026376.db2.gz WIPAOXQCJPTLRI-CYBMUJFWSA-N 0 0 453.789 4.602 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545752047 1067026421 /nfs/dbraw/zinc/02/64/21/1067026421.db2.gz PURDVRKLMZBNFY-SDHSZQHLSA-N 0 0 497.684 4.940 20 0 JJADRN CSc1ccc(Cl)c(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1 ZINC001449772125 1067026653 /nfs/dbraw/zinc/02/66/53/1067026653.db2.gz BNYHHEICFSTUNT-MOPGFXCFSA-N 0 0 455.020 4.596 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@H](C)Cc2c(OC)cc(OC)cc2OC)c2cc(OC)ccc21 ZINC001449769496 1067026770 /nfs/dbraw/zinc/02/67/70/1067026770.db2.gz VMKJQLPOMBUUMU-MRXNPFEDSA-N 0 0 454.567 4.755 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC001545752182 1067026898 /nfs/dbraw/zinc/02/68/98/1067026898.db2.gz SEMWYLRKEBLNRE-JBRSBNLGSA-N 0 0 481.685 4.720 20 0 JJADRN CC[C@@H](c1nnc(N2CCCO[C@@H](C)C2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545752191 1067026994 /nfs/dbraw/zinc/02/69/94/1067026994.db2.gz SGHAYAFZLSVCON-DOTOQJQBSA-N 0 0 465.545 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2coc(-c3ccccc3Cl)n2)CC1 ZINC001449773823 1067027251 /nfs/dbraw/zinc/02/72/51/1067027251.db2.gz IRUHSQHDDBAUJX-QUCCMNQESA-N 0 0 475.973 4.529 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)c3cc(OC)ccc3OCC(F)(F)C(F)F)ccc2[nH]1 ZINC001458314243 1067027432 /nfs/dbraw/zinc/02/74/32/1067027432.db2.gz BNTQHOQXXFPDMD-UHFFFAOYSA-N 0 0 452.404 4.631 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC001545752306 1067027551 /nfs/dbraw/zinc/02/75/51/1067027551.db2.gz UXFQNPWERIBDJX-IRLDBZIGSA-N 0 0 473.612 4.950 20 0 JJADRN CON(C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)[C@H](C)c1csc(C)n1 ZINC001449781594 1067027904 /nfs/dbraw/zinc/02/79/04/1067027904.db2.gz ANMBCXVQTLGTGY-GFCCVEGCSA-N 0 0 456.515 4.899 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)C(=O)OC(C)(C)C ZINC001449788426 1067028157 /nfs/dbraw/zinc/02/81/57/1067028157.db2.gz WFERRJKTDLCQFZ-KRWDZBQOSA-N 0 0 451.514 4.945 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545752466 1067028388 /nfs/dbraw/zinc/02/83/88/1067028388.db2.gz YALWSMQSKBSQLZ-YADHBBJMSA-N 0 0 472.680 4.642 20 0 JJADRN Cc1cc(F)c(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)c(I)c1 ZINC001458317925 1067028556 /nfs/dbraw/zinc/02/85/56/1067028556.db2.gz CIZOGUJTHVVOQE-MRXNPFEDSA-N 0 0 459.205 4.787 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC001458319490 1067028970 /nfs/dbraw/zinc/02/89/70/1067028970.db2.gz ATMRLGGQBKETAZ-UHFFFAOYSA-N 0 0 450.461 4.862 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC1(C)CCCCCC1 ZINC001458319348 1067029109 /nfs/dbraw/zinc/02/91/09/1067029109.db2.gz HLPBHAYGCCGYMX-UHFFFAOYSA-N 0 0 456.608 4.537 20 0 JJADRN O=C(c1cc(Br)cc2nc[nH]c21)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001545753294 1067029373 /nfs/dbraw/zinc/02/93/73/1067029373.db2.gz NPXVIVDFAYWVTA-LJQANCHMSA-N 0 0 456.365 4.763 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001458320009 1067029439 /nfs/dbraw/zinc/02/94/39/1067029439.db2.gz RMWCGEYFQMQANR-SFHVURJKSA-N 0 0 453.367 4.844 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCOC)c1ccccc1 ZINC001545753916 1067029644 /nfs/dbraw/zinc/02/96/44/1067029644.db2.gz AVXOYNIFMCSFQS-RBBKRZOGSA-N 0 0 471.646 4.692 20 0 JJADRN CON(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H](C)c1csc(C)n1 ZINC001449799112 1067029851 /nfs/dbraw/zinc/02/98/51/1067029851.db2.gz SRUVTMBEAXLBDV-SMNXXWJPSA-N 0 0 455.502 4.531 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)c1 ZINC001449801697 1067030004 /nfs/dbraw/zinc/03/00/04/1067030004.db2.gz QSAZWHMKFMWJJD-CHWSQXEVSA-N 0 0 455.864 4.976 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2Cc2cccs2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545754160 1067030056 /nfs/dbraw/zinc/03/00/56/1067030056.db2.gz HRLVKEGFPNAKCK-RBBKRZOGSA-N 0 0 465.667 4.865 20 0 JJADRN CC[C@@H](C)[C@@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001545754213 1067030444 /nfs/dbraw/zinc/03/04/44/1067030444.db2.gz IHUBMHLPQZTCMC-QZANCMGBSA-N 0 0 495.712 4.846 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001458323026 1067030507 /nfs/dbraw/zinc/03/05/07/1067030507.db2.gz VWLCZONZTGXGFX-UHFFFAOYSA-N 0 0 454.248 4.857 20 0 JJADRN CCO[C@H](C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC001458324963 1067030839 /nfs/dbraw/zinc/03/08/39/1067030839.db2.gz ZULFHVMMFVTZTA-DQLDELGASA-N 0 0 455.448 4.522 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CCC(=O)N(C)C)c1ccccc1 ZINC001545754298 1067030852 /nfs/dbraw/zinc/03/08/52/1067030852.db2.gz JZJWKBPKBWAAIX-IRLDBZIGSA-N 0 0 451.640 4.571 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545754349 1067030916 /nfs/dbraw/zinc/03/09/16/1067030916.db2.gz KXDZDSVRWUXMCW-GNLZIIPMSA-N 0 0 497.684 4.986 20 0 JJADRN C[C@H](CCO)n1c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2nc1C(F)(F)F ZINC001449835892 1067031157 /nfs/dbraw/zinc/03/11/57/1067031157.db2.gz CURBQDDEBGFWFP-LLVKDONJSA-N 0 0 450.442 4.967 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1(SC)CCC1)c1ccccc1 ZINC001545754486 1067031404 /nfs/dbraw/zinc/03/14/04/1067031404.db2.gz OBYROUQHNBIKMD-OAQYLSRUSA-N 0 0 484.714 4.736 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)N2CCc3cc(Br)cc(F)c3C2)n1 ZINC001458326714 1067031848 /nfs/dbraw/zinc/03/18/48/1067031848.db2.gz NYHONKAUUBIFPF-UHFFFAOYSA-N 0 0 459.157 4.501 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(Cl)s2)c1Cl ZINC001458326956 1067031863 /nfs/dbraw/zinc/03/18/63/1067031863.db2.gz ALTHSIKDNUWGGM-SECBINFHSA-N 0 0 456.800 4.619 20 0 JJADRN CN(C)C(=O)O[C@@H]1CCCN(C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001449847830 1067031913 /nfs/dbraw/zinc/03/19/13/1067031913.db2.gz CPNVIKFGSZRJLG-OXQOHEQNSA-N 0 0 451.350 4.803 20 0 JJADRN Cc1ncsc1CCNC(=O)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001449848045 1067032009 /nfs/dbraw/zinc/03/20/09/1067032009.db2.gz OIFNLRFSORHEDY-UHFFFAOYSA-N 0 0 450.383 4.500 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H]2CSC)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546017613 1067032103 /nfs/dbraw/zinc/03/21/03/1067032103.db2.gz YDELNZMCQAPAEF-KJWPAHLWSA-N 0 0 458.672 4.844 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cc(Br)ccc3C3CC3)C2)c1 ZINC001545755387 1067032523 /nfs/dbraw/zinc/03/25/23/1067032523.db2.gz JXENCVJGCGYBJD-OAHLLOKOSA-N 0 0 459.384 4.600 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3c(C)onc3-c3cccc(Cl)c3)C2)c1 ZINC001545755092 1067032551 /nfs/dbraw/zinc/03/25/51/1067032551.db2.gz CLAYRRHMGBKAKW-INIZCTEOSA-N 0 0 455.942 4.577 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 ZINC001449861578 1067032751 /nfs/dbraw/zinc/03/27/51/1067032751.db2.gz YNRAWHRHTDUZIK-UHFFFAOYSA-N 0 0 456.542 4.725 20 0 JJADRN COc1ccc(N(CC2CC2)C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001449865669 1067032835 /nfs/dbraw/zinc/03/28/35/1067032835.db2.gz LPVTVNBYIRKDPL-OAQYLSRUSA-N 0 0 454.571 4.521 20 0 JJADRN Cc1[nH]nc(Br)c1C(=O)NCC1(c2ccccc2Br)CCCCC1 ZINC001449867309 1067032868 /nfs/dbraw/zinc/03/28/68/1067032868.db2.gz NTAOEAHDMHTADJ-UHFFFAOYSA-N 0 0 455.194 4.875 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017710 1067033230 /nfs/dbraw/zinc/03/32/30/1067033230.db2.gz ZXKJTOFAYSNKIP-PZJWPPBQSA-N 0 0 471.646 4.927 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1Cl ZINC001458333684 1067033233 /nfs/dbraw/zinc/03/32/33/1067033233.db2.gz SQGDCZMUVPPYGG-FQEVSTJZSA-N 0 0 454.350 4.894 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1Cl ZINC001458333686 1067033400 /nfs/dbraw/zinc/03/34/00/1067033400.db2.gz SQGDCZMUVPPYGG-HXUWFJFHSA-N 0 0 454.350 4.894 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3cccs3)ns2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001458334153 1067033524 /nfs/dbraw/zinc/03/35/24/1067033524.db2.gz KDHFKQFGXZIYJW-BMIGLBTASA-N 0 0 453.376 4.732 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)c2)n1 ZINC001449876497 1067033569 /nfs/dbraw/zinc/03/35/69/1067033569.db2.gz HXBZYHXPOPDFLF-FQEVSTJZSA-N 0 0 451.368 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(C)(C)c2ccccn2)C1 ZINC001449891202 1067034068 /nfs/dbraw/zinc/03/40/68/1067034068.db2.gz AZAULDOLMHDLTL-TZIWHRDSSA-N 0 0 455.574 4.655 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3ccccn3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756522 1067034127 /nfs/dbraw/zinc/03/41/27/1067034127.db2.gz JKLJRHQFXUGUKR-SFTDATJTSA-N 0 0 488.558 4.509 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001458339337 1067034995 /nfs/dbraw/zinc/03/49/95/1067034995.db2.gz DTVBSEQBLGFMML-AWEZNQCLSA-N 0 0 452.839 4.692 20 0 JJADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001458340997 1067035333 /nfs/dbraw/zinc/03/53/33/1067035333.db2.gz ARRLTJLUFKOWIV-PWRODBHTSA-N 0 0 458.624 4.685 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001458340983 1067035500 /nfs/dbraw/zinc/03/55/00/1067035500.db2.gz ARRLTJLUFKOWIV-NJDAHSKKSA-N 0 0 458.624 4.685 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)cc2)c1 ZINC001458342102 1067035799 /nfs/dbraw/zinc/03/57/99/1067035799.db2.gz QHZWMSVVYWAEKK-IBGZPJMESA-N 0 0 452.913 4.727 20 0 JJADRN Cc1c(C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)nnn1-c1ccccc1Cl ZINC001449902545 1067035815 /nfs/dbraw/zinc/03/58/15/1067035815.db2.gz NYWGQPUMTSHZFG-UHFFFAOYSA-N 0 0 455.946 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001449901200 1067035872 /nfs/dbraw/zinc/03/58/72/1067035872.db2.gz MDORCYXLJGSCEJ-ISKFKSNPSA-N 0 0 478.568 4.986 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC001458342077 1067035936 /nfs/dbraw/zinc/03/59/36/1067035936.db2.gz QFVNNFNMJAOYFK-AWEZNQCLSA-N 0 0 452.839 4.692 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001458344793 1067036548 /nfs/dbraw/zinc/03/65/48/1067036548.db2.gz IWQGEFWDXPVRKL-GOSISDBHSA-N 0 0 451.369 4.867 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[S@](=O)C(F)(F)F ZINC001458344841 1067036615 /nfs/dbraw/zinc/03/66/15/1067036615.db2.gz JJEAVPHEIXPVBP-DNMZCBJRSA-N 0 0 451.297 4.630 20 0 JJADRN CCC[C@@H](C(=O)N[C@@H]1CCC[C@H]1OC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449907787 1067036679 /nfs/dbraw/zinc/03/66/79/1067036679.db2.gz ZFZIEYIOACDVQO-DSNGMDLFSA-N 0 0 450.579 4.720 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCc1ccsc1)c1ccccc1 ZINC001545758164 1067036742 /nfs/dbraw/zinc/03/67/42/1067036742.db2.gz AWGKAUSNRJSWQO-NFBKMPQASA-N 0 0 465.667 4.817 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545758326 1067036935 /nfs/dbraw/zinc/03/69/35/1067036935.db2.gz DTBSHIGVWSVPHX-JOCHJYFZSA-N 0 0 451.640 4.543 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC001449913575 1067037302 /nfs/dbraw/zinc/03/73/02/1067037302.db2.gz JFHXSMDIGVZTGQ-SGTLLEGYSA-N 0 0 458.805 4.784 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC001449915062 1067037399 /nfs/dbraw/zinc/03/73/99/1067037399.db2.gz MHUHTIPQEVQTPZ-VLIAUNLRSA-N 0 0 454.792 4.872 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccc(-c3cccc(C)c3)n2C)c1 ZINC001449922940 1067037585 /nfs/dbraw/zinc/03/75/85/1067037585.db2.gz ZOILMEVDWBAQHF-JOCHJYFZSA-N 0 0 457.368 4.577 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458346025 1067037586 /nfs/dbraw/zinc/03/75/86/1067037586.db2.gz DIUAKSMPRANHDP-QZTJIDSGSA-N 0 0 456.917 4.535 20 0 JJADRN CC[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)NC(=O)OC(C)(C)C ZINC001449932464 1067037839 /nfs/dbraw/zinc/03/78/39/1067037839.db2.gz AXDYFWRLQFTWEV-SFHVURJKSA-N 0 0 451.571 4.712 20 0 JJADRN C[C@H]1CCc2c(sc3ncnc(NCc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)c23)C1 ZINC001458346687 1067038005 /nfs/dbraw/zinc/03/80/05/1067038005.db2.gz MCIPLUPKHULPRN-NSHDSACASA-N 0 0 455.527 4.851 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cc(C)no3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545758534 1067038030 /nfs/dbraw/zinc/03/80/30/1067038030.db2.gz IVJMRLKRISWUOV-DEOSSOPVSA-N 0 0 450.631 4.875 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1)OC ZINC001546018424 1067038242 /nfs/dbraw/zinc/03/82/42/1067038242.db2.gz BOCYDOVCORFXCN-QPTUXGOLSA-N 0 0 470.658 4.807 20 0 JJADRN Cc1cccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1Br ZINC001458348528 1067038151 /nfs/dbraw/zinc/03/81/51/1067038151.db2.gz RHPXVQAVCIYQQY-INIZCTEOSA-N 0 0 456.167 4.529 20 0 JJADRN COC[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccc(Cl)cc1 ZINC001458348178 1067038209 /nfs/dbraw/zinc/03/82/09/1067038209.db2.gz SLIRJCNZTLFIJO-HNNXBMFYSA-N 0 0 459.255 4.753 20 0 JJADRN Cc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1Br ZINC001458348535 1067038456 /nfs/dbraw/zinc/03/84/56/1067038456.db2.gz RHPXVQAVCIYQQY-MRXNPFEDSA-N 0 0 456.167 4.529 20 0 JJADRN CC[C@@H](CNC(=O)c1cc(Br)c(C(F)(F)F)cc1F)NC(=O)OC(C)(C)C ZINC001449944887 1067038492 /nfs/dbraw/zinc/03/84/92/1067038492.db2.gz OHCVFKQCKJYXKL-VIFPVBQESA-N 0 0 457.262 4.640 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458349193 1067038791 /nfs/dbraw/zinc/03/87/91/1067038791.db2.gz SEQPPPOWONQZPG-JPYJTQIMSA-N 0 0 450.579 4.834 20 0 JJADRN CCn1c2ccccc2nc(N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)c1=O ZINC001458349693 1067039239 /nfs/dbraw/zinc/03/92/39/1067039239.db2.gz STAWNQIHEXVMET-GOSISDBHSA-N 0 0 456.384 4.673 20 0 JJADRN COc1ccc(CN(C(=O)C2CN(C(=O)C3CCCCC3)C2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458350804 1067039620 /nfs/dbraw/zinc/03/96/20/1067039620.db2.gz YKNSPFZQXZPLFT-WMZHIEFXSA-N 0 0 456.627 4.650 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2cccc(Br)c2)c1 ZINC001458351126 1067039719 /nfs/dbraw/zinc/03/97/19/1067039719.db2.gz STHQDDAMFKCFAY-SFHVURJKSA-N 0 0 452.274 4.928 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2cccc(Br)c2)c1 ZINC001458351125 1067039734 /nfs/dbraw/zinc/03/97/34/1067039734.db2.gz STHQDDAMFKCFAY-GOSISDBHSA-N 0 0 452.274 4.928 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458350989 1067039779 /nfs/dbraw/zinc/03/97/79/1067039779.db2.gz ZNYROVVRVSQTGU-PXNSSMCTSA-N 0 0 457.567 4.951 20 0 JJADRN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979892 1067040177 /nfs/dbraw/zinc/04/01/77/1067040177.db2.gz NXWYUIANJRUMQL-QPNANDPSSA-N 0 0 459.937 4.602 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1c(F)cccc1I ZINC001458351508 1067040175 /nfs/dbraw/zinc/04/01/75/1067040175.db2.gz UWLRKJWIEFWZRJ-CQSZACIVSA-N 0 0 451.201 4.724 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545758932 1067040236 /nfs/dbraw/zinc/04/02/36/1067040236.db2.gz PIPZKHLUBAZTDE-IRFCIJBXSA-N 0 0 497.581 4.658 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001449988028 1067040459 /nfs/dbraw/zinc/04/04/59/1067040459.db2.gz XTJIRSRTVMTPSF-OLZOCXBDSA-N 0 0 455.971 4.706 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545759151 1067040802 /nfs/dbraw/zinc/04/08/02/1067040802.db2.gz SLGKRNKIORVHIG-GOTSBHOMSA-N 0 0 482.698 4.660 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545759152 1067040980 /nfs/dbraw/zinc/04/09/80/1067040980.db2.gz SLGKRNKIORVHIG-PKTZIBPZSA-N 0 0 482.698 4.660 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)N1CCN2CCOc3cccc1c32 ZINC001458355105 1067040994 /nfs/dbraw/zinc/04/09/94/1067040994.db2.gz FJCUVPMZULBYQR-UHFFFAOYSA-N 0 0 455.274 4.646 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545759158 1067041061 /nfs/dbraw/zinc/04/10/61/1067041061.db2.gz SOQQKNTZLIVVNF-LYGMZBLVSA-N 0 0 481.685 4.718 20 0 JJADRN O=C(c1cccc(-c2cnco2)c1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001450010134 1067041282 /nfs/dbraw/zinc/04/12/82/1067041282.db2.gz CZWUWVYLKBHAMN-MRXNPFEDSA-N 0 0 458.299 4.651 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545759283 1067041582 /nfs/dbraw/zinc/04/15/82/1067041582.db2.gz VUXFJEAKDILZDW-REWPJTCUSA-N 0 0 486.586 4.839 20 0 JJADRN CO[C@@H]1CCC[C@H]1CNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001458359052 1067041649 /nfs/dbraw/zinc/04/16/49/1067041649.db2.gz MYPNYUVDFAMWKJ-QILLFSRXSA-N 0 0 457.621 4.617 20 0 JJADRN Fc1cccc(OC(F)F)c1CNc1ncnc2cc(I)sc21 ZINC001458359452 1067041807 /nfs/dbraw/zinc/04/18/07/1067041807.db2.gz ZWSPGLPHJYFDHB-UHFFFAOYSA-N 0 0 451.211 4.649 20 0 JJADRN CC(C)c1ccc(N2Cc3ccc(NC(=O)/C=C/c4ccc(S(C)(=O)=O)o4)cc3C2)cc1 ZINC001458360839 1067041978 /nfs/dbraw/zinc/04/19/78/1067041978.db2.gz AMAFEDBRLWDJKR-ZRDIBKRKSA-N 0 0 450.560 4.979 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545759306 1067042161 /nfs/dbraw/zinc/04/21/61/1067042161.db2.gz WDMRSBPCKAORRT-QPTUXGOLSA-N 0 0 457.638 4.505 20 0 JJADRN O=C(N[C@H](c1ccccc1)C(F)F)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC001450021986 1067042292 /nfs/dbraw/zinc/04/22/92/1067042292.db2.gz MDEKOKYXLUADGT-LJQANCHMSA-N 0 0 455.461 4.550 20 0 JJADRN CCC[C@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c21)[C@@H](O)c1ccccc1 ZINC001458362044 1067042491 /nfs/dbraw/zinc/04/24/91/1067042491.db2.gz CUHBFKORCYHZNA-PXNSSMCTSA-N 0 0 456.612 4.552 20 0 JJADRN CCC[C@@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c21)[C@@H](O)c1ccccc1 ZINC001458362048 1067042665 /nfs/dbraw/zinc/04/26/65/1067042665.db2.gz CUHBFKORCYHZNA-XLIONFOSSA-N 0 0 456.612 4.552 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CCOC)CC2)n1C[C@@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759551 1067042520 /nfs/dbraw/zinc/04/25/20/1067042520.db2.gz ZLFVXXDQERVCPV-GGAORHGYSA-N 0 0 475.628 4.804 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC001450027651 1067042618 /nfs/dbraw/zinc/04/26/18/1067042618.db2.gz KNWDREMOVLXSBF-IBGZPJMESA-N 0 0 452.473 4.835 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545760440 1067043262 /nfs/dbraw/zinc/04/32/62/1067043262.db2.gz CVTLCKPVOCPZIF-BKMJKUGQSA-N 0 0 450.631 4.552 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545760442 1067043312 /nfs/dbraw/zinc/04/33/12/1067043312.db2.gz CVTLCKPVOCPZIF-NVQXNPDNSA-N 0 0 450.631 4.552 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)cs2)cc1 ZINC001450034943 1067043478 /nfs/dbraw/zinc/04/34/78/1067043478.db2.gz UQGKKZFERKLUTL-QGZVFWFLSA-N 0 0 453.555 4.580 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001450040070 1067043524 /nfs/dbraw/zinc/04/35/24/1067043524.db2.gz VIJOXFIPRLZZKB-PKTZIBPZSA-N 0 0 461.723 4.553 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001458368840 1067043617 /nfs/dbraw/zinc/04/36/17/1067043617.db2.gz WBYISTMEUVEEFF-LBPRGKRZSA-N 0 0 456.351 4.853 20 0 JJADRN C[C@]12CCN(c3nc(C(F)(F)F)ccc3I)C[C@H]1C2(Cl)Cl ZINC001458369553 1067044070 /nfs/dbraw/zinc/04/40/70/1067044070.db2.gz UJUPHAOJPONPNR-KCJUWKMLSA-N 0 0 451.057 4.725 20 0 JJADRN CN(C)C(=O)C[C@@H](NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001450042013 1067043847 /nfs/dbraw/zinc/04/38/47/1067043847.db2.gz XUCGNTSXJBVCBE-JOCHJYFZSA-N 0 0 459.631 4.530 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)Oc3cc(Cl)cnc3Br)cs2)cc1 ZINC001458371067 1067044220 /nfs/dbraw/zinc/04/42/20/1067044220.db2.gz SXMIHYNLJFKQEO-UHFFFAOYSA-N 0 0 453.745 4.990 20 0 JJADRN C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001450052503 1067044585 /nfs/dbraw/zinc/04/45/85/1067044585.db2.gz DCZCIIUANYJSPW-SJORKVTESA-N 0 0 459.612 4.741 20 0 JJADRN Nc1c(Br)cc(F)cc1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450053636 1067044754 /nfs/dbraw/zinc/04/47/54/1067044754.db2.gz BLTGSSQYTMDJCW-LBPRGKRZSA-N 0 0 456.153 4.638 20 0 JJADRN Nc1c(Br)cc(F)cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450053632 1067044995 /nfs/dbraw/zinc/04/49/95/1067044995.db2.gz BLTGSSQYTMDJCW-GFCCVEGCSA-N 0 0 456.153 4.638 20 0 JJADRN O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2ncncc2-c2ccc(Br)cc2)C1 ZINC001458372093 1067045175 /nfs/dbraw/zinc/04/51/75/1067045175.db2.gz OVCJALZLHAMTBY-OAHLLOKOSA-N 0 0 457.294 4.652 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCCCc4cc(Br)ccc43)c2)o1 ZINC001458374838 1067045287 /nfs/dbraw/zinc/04/52/87/1067045287.db2.gz JPVHAFZTBUPYSI-UHFFFAOYSA-N 0 0 456.340 4.671 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC001450058388 1067045561 /nfs/dbraw/zinc/04/55/61/1067045561.db2.gz SEHMDSUDHFDRGN-CABCVRRESA-N 0 0 458.946 4.817 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCOC1CCOCC1)c1ccccc1 ZINC001545761434 1067045356 /nfs/dbraw/zinc/04/53/56/1067045356.db2.gz RKMYEIYJTIGFDY-ZEQRLZLVSA-N 0 0 470.658 4.657 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545761857 1067045593 /nfs/dbraw/zinc/04/55/93/1067045593.db2.gz YAWPCKFKCNQIFQ-VQTJNVASSA-N 0 0 488.558 4.733 20 0 JJADRN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C ZINC001458377396 1067046112 /nfs/dbraw/zinc/04/61/12/1067046112.db2.gz QLEMKXPCUQFNGG-UHFFFAOYSA-N 0 0 456.992 4.549 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)c(I)c2)nn1-c1ccccc1Cl ZINC001458378097 1067046396 /nfs/dbraw/zinc/04/63/96/1067046396.db2.gz YITJZHWNUAWHKX-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1Cc1ccsc1Br)c1ccccc1 ZINC001545763167 1067046507 /nfs/dbraw/zinc/04/65/07/1067046507.db2.gz DHUHLCVJBSGROU-RBUKOAKNSA-N 0 0 491.455 4.544 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545763032 1067046662 /nfs/dbraw/zinc/04/66/62/1067046662.db2.gz BIRYQWOCVITYAQ-TZIWHRDSSA-N 0 0 492.611 4.655 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nc(C)cs2)CCO1 ZINC001546099944 1067046602 /nfs/dbraw/zinc/04/66/02/1067046602.db2.gz PVINNCBXCLLATP-RUZDIDTESA-N 0 0 469.655 4.973 20 0 JJADRN Cc1cc(NC(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001458379612 1067046616 /nfs/dbraw/zinc/04/66/16/1067046616.db2.gz IFPYDIVAHFOYSG-UHFFFAOYSA-N 0 0 457.365 4.876 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cn1 ZINC001450067077 1067046778 /nfs/dbraw/zinc/04/67/78/1067046778.db2.gz SAWSZLSMOMDUDO-LJQANCHMSA-N 0 0 456.543 4.657 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCn1nc(C)cc1C)c1ccccc1 ZINC001545763159 1067046768 /nfs/dbraw/zinc/04/67/68/1067046768.db2.gz DEKYWTMFRWBXPB-GMAHTHKFSA-N 0 0 450.631 4.727 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccncc2Cl)CCO1 ZINC001546100035 1067046854 /nfs/dbraw/zinc/04/68/54/1067046854.db2.gz ROYJCCPBIUEBQS-XMMPIXPASA-N 0 0 455.990 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@H](CC3CCC3)c3ccccc3)nn2)C1 ZINC001458383258 1067046867 /nfs/dbraw/zinc/04/68/67/1067046867.db2.gz GCEFKALDFIALJT-NHCUHLMSSA-N 0 0 453.587 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@H](CC3CCC3)c3ccccc3)nn2)C1 ZINC001458383255 1067046944 /nfs/dbraw/zinc/04/69/44/1067046944.db2.gz GCEFKALDFIALJT-LEWJYISDSA-N 0 0 453.587 4.511 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)c2)cc1 ZINC001450071526 1067046945 /nfs/dbraw/zinc/04/69/45/1067046945.db2.gz AKCXEKDPXRXBSB-UHFFFAOYSA-N 0 0 458.845 4.838 20 0 JJADRN C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001450066797 1067046963 /nfs/dbraw/zinc/04/69/63/1067046963.db2.gz YXHMNWJRPHVZKK-MSOLQXFVSA-N 0 0 458.578 4.862 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545763403 1067047319 /nfs/dbraw/zinc/04/73/19/1067047319.db2.gz IETXOMGUADNHJH-SJLPKXTDSA-N 0 0 481.341 4.979 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1)[C@H]1C[C@@H]1C ZINC001450075184 1067047472 /nfs/dbraw/zinc/04/74/72/1067047472.db2.gz GGGVRTUECAEXNX-ZSEKCTLFSA-N 0 0 458.440 4.989 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1)[C@@H]1C[C@H]1C ZINC001450075176 1067047655 /nfs/dbraw/zinc/04/76/55/1067047655.db2.gz GGGVRTUECAEXNX-LRTDBIEQSA-N 0 0 458.440 4.989 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545763705 1067047659 /nfs/dbraw/zinc/04/76/59/1067047659.db2.gz MBHKSRKCYWSTLU-QFQXNSOFSA-N 0 0 490.714 4.675 20 0 JJADRN CC[C@@H](C)[C@@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001545763615 1067047952 /nfs/dbraw/zinc/04/79/52/1067047952.db2.gz KYCJHXBRJBFGAQ-AHQSTGFLSA-N 0 0 483.682 4.960 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@](C)(Cc3ccc(Cl)cc3)C(C)C)cc2C=O)cc1 ZINC001450079582 1067047926 /nfs/dbraw/zinc/04/79/26/1067047926.db2.gz YYEAERPIGABZQI-RUZDIDTESA-N 0 0 453.970 4.798 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001458387729 1067047884 /nfs/dbraw/zinc/04/78/84/1067047884.db2.gz OSBDGFPVXQNQNZ-KRWDZBQOSA-N 0 0 456.876 4.586 20 0 JJADRN CC[C@H](c1nnc(N2CCOCC3(CCC3)C2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545763913 1067048217 /nfs/dbraw/zinc/04/82/17/1067048217.db2.gz OLMLUZRGFQHBSZ-VQTJNVASSA-N 0 0 466.548 4.794 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1)[C@H]1C[C@H]1C ZINC001450081613 1067048415 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BHKVLEBZJZNWPZ-NZQKXSOJSA-N 0 0 452.570 4.862 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)[C@@H]3CC(C)(C)OC3(C)C)CC2=O)cc1F ZINC001458389583 1067048846 /nfs/dbraw/zinc/04/88/46/1067048846.db2.gz BHKVLEBZJZNWPZ-NFBKMPQASA-N 0 0 452.570 4.862 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545764340 1067048924 /nfs/dbraw/zinc/04/89/24/1067048924.db2.gz UHJORUMQXNYFNT-WUMKDDEVSA-N 0 0 481.641 4.859 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001458390821 1067049045 /nfs/dbraw/zinc/04/90/45/1067049045.db2.gz YWQSWGFOESEIMO-UHFFFAOYSA-N 0 0 457.553 4.585 20 0 JJADRN Cc1nc([C@@H](NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c2ccc(Cl)cc2)no1 ZINC001458390846 1067049200 /nfs/dbraw/zinc/04/92/00/1067049200.db2.gz ZFZNXXKWKBADGR-FQEVSTJZSA-N 0 0 456.930 4.827 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001458390958 1067049243 /nfs/dbraw/zinc/04/92/43/1067049243.db2.gz HHBKVKIWXOMESF-NRFANRHFSA-N 0 0 452.624 4.769 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC1(CC)CCOCC1)c1ccccc1 ZINC001545764514 1067049455 /nfs/dbraw/zinc/04/94/55/1067049455.db2.gz XFTBEWBHLGMCFL-DNQXCXABSA-N 0 0 470.658 4.657 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC001458393028 1067049570 /nfs/dbraw/zinc/04/95/70/1067049570.db2.gz NMIIFXKOCIWCRB-VXKWHMMOSA-N 0 0 458.549 4.907 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)n2)c(F)c1 ZINC001545765132 1067049855 /nfs/dbraw/zinc/04/98/55/1067049855.db2.gz QVBPXPKWYLKLDR-UHFFFAOYSA-N 0 0 452.511 4.533 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(Cl)c1)NC(=O)OC(C)(C)C ZINC001546019455 1067050156 /nfs/dbraw/zinc/05/01/56/1067050156.db2.gz UYZOUJQUUWBPTH-RBUKOAKNSA-N 0 0 464.010 4.723 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001545765316 1067050208 /nfs/dbraw/zinc/05/02/08/1067050208.db2.gz YDPDKSUYHPLRFA-UHFFFAOYSA-N 0 0 455.983 4.513 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)[C@H]1c1ccccc1OC ZINC001458395601 1067050412 /nfs/dbraw/zinc/05/04/12/1067050412.db2.gz HFVCAKQODOBYRA-FWSIMYTDSA-N 0 0 458.643 4.875 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)c2nccs2)CCO1 ZINC001546100207 1067050428 /nfs/dbraw/zinc/05/04/28/1067050428.db2.gz VCYNCQHFLWZRHS-DVECYGJZSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545765921 1067050797 /nfs/dbraw/zinc/05/07/97/1067050797.db2.gz KIKYKGHGROWINJ-VEEZHQPXSA-N 0 0 497.684 4.673 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](OC)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545766027 1067051157 /nfs/dbraw/zinc/05/11/57/1067051157.db2.gz LZOGTBHMDBYRFT-PMVMPFDFSA-N 0 0 483.657 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CCS[C@H](C)C2)n1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC001545766060 1067051237 /nfs/dbraw/zinc/05/12/37/1067051237.db2.gz MJEVAGITZCVYBO-NVXWUHKLSA-N 0 0 460.541 4.679 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](OC)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545766100 1067051269 /nfs/dbraw/zinc/05/12/69/1067051269.db2.gz MWAPNGGLOBQGJH-BVSLBCMMSA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545766268 1067051627 /nfs/dbraw/zinc/05/16/27/1067051627.db2.gz PEIXOFFEJYFEKB-VQIMIIECSA-N 0 0 459.566 4.806 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546019627 1067052485 /nfs/dbraw/zinc/05/24/85/1067052485.db2.gz ZGAPPZGKAJDDRI-ILZDJORESA-N 0 0 473.593 4.696 20 0 JJADRN CCOC(=O)c1[nH]c(C)c(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)c1C ZINC001450138268 1067052677 /nfs/dbraw/zinc/05/26/77/1067052677.db2.gz HDUZWZFATAICAS-UHFFFAOYSA-N 0 0 455.780 4.932 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545767620 1067052834 /nfs/dbraw/zinc/05/28/34/1067052834.db2.gz BYQLETVVKGUHQG-TYCQWZJGSA-N 0 0 473.543 4.510 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCc1nccnc1C)c1ccccc1 ZINC001545767599 1067052849 /nfs/dbraw/zinc/05/28/49/1067052849.db2.gz BQNKDJSLGRAJBJ-UEXGIBASSA-N 0 0 454.569 4.889 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1 ZINC001545767143 1067052916 /nfs/dbraw/zinc/05/29/16/1067052916.db2.gz MPZSNSLKDSCYNK-FIXGOIDJSA-N 0 0 461.559 4.956 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC001450139170 1067052829 /nfs/dbraw/zinc/05/28/29/1067052829.db2.gz ICBVXLRZXCGEAY-KBXCAEBGSA-N 0 0 452.439 4.658 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450139150 1067052958 /nfs/dbraw/zinc/05/29/58/1067052958.db2.gz IBUSEIMJDOKYGR-IIBYNOLFSA-N 0 0 451.460 4.881 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450139130 1067053152 /nfs/dbraw/zinc/05/31/52/1067053152.db2.gz IBUSEIMJDOKYGR-HRAATJIYSA-N 0 0 451.460 4.881 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC001458405292 1067053542 /nfs/dbraw/zinc/05/35/42/1067053542.db2.gz KRYHQWKENJFPNF-GJZGRUSLSA-N 0 0 457.434 4.693 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC001458405295 1067053557 /nfs/dbraw/zinc/05/35/57/1067053557.db2.gz KRYHQWKENJFPNF-LSDHHAIUSA-N 0 0 457.434 4.693 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001458405483 1067053590 /nfs/dbraw/zinc/05/35/90/1067053590.db2.gz JIUMHHSJIILSPA-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN Cc1c(C(=O)Oc2cc(Br)ccc2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001458406113 1067053647 /nfs/dbraw/zinc/05/36/47/1067053647.db2.gz MNORXRSMXIURJB-UHFFFAOYSA-N 0 0 458.209 4.774 20 0 JJADRN Cc1cc(N2CCCC[C@H]2Cc2ccccc2Br)n2nc(C(F)(F)F)nc2n1 ZINC001458404686 1067053690 /nfs/dbraw/zinc/05/36/90/1067053690.db2.gz WWKKQLYEDZPCAL-AWEZNQCLSA-N 0 0 454.294 4.816 20 0 JJADRN C[C@@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450141807 1067053623 /nfs/dbraw/zinc/05/36/23/1067053623.db2.gz JMKYMUVAMJUQQM-FOIQADDNSA-N 0 0 459.468 4.666 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545768077 1067053862 /nfs/dbraw/zinc/05/38/62/1067053862.db2.gz MIKYZIJQKSHQTN-ZPMCFJSWSA-N 0 0 477.575 4.713 20 0 JJADRN CCC1(CC)[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[C@H](C)[C@@H]1OC ZINC001458408241 1067054008 /nfs/dbraw/zinc/05/40/08/1067054008.db2.gz GWQFJVKIHJCNRU-BEVDRBHNSA-N 0 0 454.533 4.514 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1 ZINC001458406425 1067054070 /nfs/dbraw/zinc/05/40/70/1067054070.db2.gz KIZYSZVQRFORHG-SFHVURJKSA-N 0 0 454.539 4.573 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC001450143979 1067054037 /nfs/dbraw/zinc/05/40/37/1067054037.db2.gz LERLZHYWWPASEP-MRXNPFEDSA-N 0 0 458.942 4.910 20 0 JJADRN C[C@H]1CN(C(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145492 1067054169 /nfs/dbraw/zinc/05/41/69/1067054169.db2.gz MANPHIKWPYWANG-VPKVUBIPSA-N 0 0 456.505 4.783 20 0 JJADRN Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c(C)n1C[C@H]1CCCOC1 ZINC001450150130 1067054398 /nfs/dbraw/zinc/05/43/98/1067054398.db2.gz HPZVURDJPQQLTN-QGZVFWFLSA-N 0 0 457.372 4.732 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001458408257 1067054374 /nfs/dbraw/zinc/05/43/74/1067054374.db2.gz IFBTWBPNGKMZLP-DWWCWUABSA-N 0 0 456.945 4.904 20 0 JJADRN CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC001545768593 1067054661 /nfs/dbraw/zinc/05/46/61/1067054661.db2.gz ZSZZOSPHAOZULF-IBGZPJMESA-N 0 0 485.514 4.876 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@@H]1c1ccc(OC)cc1 ZINC001545769309 1067054996 /nfs/dbraw/zinc/05/49/96/1067054996.db2.gz WGSXHKAYBQRMME-NLFFAJNJSA-N 0 0 456.533 4.638 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C ZINC001545768697 1067055079 /nfs/dbraw/zinc/05/50/79/1067055079.db2.gz CUCDWCDQBVZCGU-LNLFQRSKSA-N 0 0 454.567 4.714 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1)SC ZINC001545769459 1067055269 /nfs/dbraw/zinc/05/52/69/1067055269.db2.gz AXLTUEZVPORMTC-HSZRJFAPSA-N 0 0 494.105 4.789 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1)SC ZINC001545769598 1067055477 /nfs/dbraw/zinc/05/54/77/1067055477.db2.gz FQZWKARXWWGHBX-FQEVSTJZSA-N 0 0 494.105 4.645 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)NC(=O)OC(C)(C)C ZINC001545769775 1067055668 /nfs/dbraw/zinc/05/56/68/1067055668.db2.gz KGULYTPPQJGBGY-UHFFFAOYSA-N 0 0 491.706 4.577 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1)SC ZINC001545769813 1067055762 /nfs/dbraw/zinc/05/57/62/1067055762.db2.gz LQZKZBDXIOTHIL-MRXNPFEDSA-N 0 0 482.119 4.725 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(F)cc3-n3cccc3)CC2=O)ccc1Br ZINC001458414184 1067055879 /nfs/dbraw/zinc/05/58/79/1067055879.db2.gz LABFCSMHUSCKPW-OAHLLOKOSA-N 0 0 456.315 4.679 20 0 JJADRN Cc1csc(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1Br ZINC001458413615 1067055917 /nfs/dbraw/zinc/05/59/17/1067055917.db2.gz VFMGYLQILXKEHQ-UHFFFAOYSA-N 0 0 452.374 4.760 20 0 JJADRN COC(=O)c1cnc(Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c(Cl)c1 ZINC001458417580 1067056305 /nfs/dbraw/zinc/05/63/05/1067056305.db2.gz BNESQUWRVQAUSU-UHFFFAOYSA-N 0 0 456.127 4.926 20 0 JJADRN CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1)OC ZINC001545770105 1067056381 /nfs/dbraw/zinc/05/63/81/1067056381.db2.gz VKBGMXCOUBJLDD-UHFFFAOYSA-N 0 0 474.968 4.560 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c1 ZINC001450161692 1067056524 /nfs/dbraw/zinc/05/65/24/1067056524.db2.gz VRQVZMOQTLVXBY-UHFFFAOYSA-N 0 0 453.564 4.543 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC[C@@H]1C)OC ZINC001545770944 1067056601 /nfs/dbraw/zinc/05/66/01/1067056601.db2.gz AITNMYIVNFLGRU-CVEARBPZSA-N 0 0 452.441 4.876 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC001545770902 1067056693 /nfs/dbraw/zinc/05/66/93/1067056693.db2.gz YWCGHWFXQQTEAH-IBGZPJMESA-N 0 0 455.536 4.729 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@@H]1C)OC ZINC001545771088 1067057208 /nfs/dbraw/zinc/05/72/08/1067057208.db2.gz FQEPJIJNDZDUJD-LSDHHAIUSA-N 0 0 470.481 4.582 20 0 JJADRN CC(C)(NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C(=O)c1ccccc1 ZINC001450170809 1067057321 /nfs/dbraw/zinc/05/73/21/1067057321.db2.gz SPUWJDFNIJUSLP-UHFFFAOYSA-N 0 0 452.352 4.515 20 0 JJADRN COc1ccc(-c2nnc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)s2)cc1 ZINC001458421558 1067057262 /nfs/dbraw/zinc/05/72/62/1067057262.db2.gz MYVQSKUFXLSWKL-UHFFFAOYSA-N 0 0 450.520 4.579 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)SC ZINC001545771245 1067057450 /nfs/dbraw/zinc/05/74/50/1067057450.db2.gz JQPRLKXYQGCJPN-IRXDYDNUSA-N 0 0 495.443 4.744 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)OC ZINC001545771174 1067057543 /nfs/dbraw/zinc/05/75/43/1067057543.db2.gz HRSHHGHDFKMLNA-YYWHXJBOSA-N 0 0 490.048 4.524 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)OC ZINC001545771172 1067057570 /nfs/dbraw/zinc/05/75/70/1067057570.db2.gz HRSHHGHDFKMLNA-IOMROCGXSA-N 0 0 490.048 4.524 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)NC3(c4ccc(F)cc4F)CCCC3)cc2)c1C ZINC001458425089 1067057577 /nfs/dbraw/zinc/05/75/77/1067057577.db2.gz IRFVIKMJQXJLED-UHFFFAOYSA-N 0 0 453.489 4.835 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)N1CCC[C@@H](c2ccccn2)C1 ZINC001450183039 1067057699 /nfs/dbraw/zinc/05/76/99/1067057699.db2.gz PLJOKGIRKKSVEA-QGZVFWFLSA-N 0 0 455.967 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2c2cc(Cl)nc([C@H]3CCCO3)n2)C1 ZINC001458426068 1067058116 /nfs/dbraw/zinc/05/81/16/1067058116.db2.gz HAQAENXRPPQQAM-RCCFBDPRSA-N 0 0 451.011 4.988 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)NC3(c4ccc(F)cc4F)CCOCC3)n2)cc1 ZINC001458430610 1067058736 /nfs/dbraw/zinc/05/87/36/1067058736.db2.gz XUKIQPOKCCTMBL-UHFFFAOYSA-N 0 0 455.505 4.893 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CCCc4cc(C)c(Br)cc43)cc2)no1 ZINC001458430684 1067059059 /nfs/dbraw/zinc/05/90/59/1067059059.db2.gz KGNDSLGEPHPYCY-UHFFFAOYSA-N 0 0 456.340 4.875 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)SC ZINC001545771663 1067059215 /nfs/dbraw/zinc/05/92/15/1067059215.db2.gz WOGFJNOXBPSZDH-QUCCMNQESA-N 0 0 489.661 4.680 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1)OC ZINC001545771688 1067059609 /nfs/dbraw/zinc/05/96/09/1067059609.db2.gz XBWAJPLQUFHEGK-RCZSKKKRSA-N 0 0 460.594 4.910 20 0 JJADRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450202212 1067059714 /nfs/dbraw/zinc/05/97/14/1067059714.db2.gz UHGFLZPOQAZBPI-HKUYNNGSSA-N 0 0 455.640 4.660 20 0 JJADRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458436793 1067059760 /nfs/dbraw/zinc/05/97/60/1067059760.db2.gz OLLBNWGGLBLWEI-KZULUSFZSA-N 0 0 457.810 4.909 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)OC ZINC001545771687 1067059787 /nfs/dbraw/zinc/05/97/87/1067059787.db2.gz XBWAJPLQUFHEGK-DWLFOUALSA-N 0 0 460.594 4.910 20 0 JJADRN COc1cccc(/C=C(/CC(=O)N2CCC(F)(F)[C@@H](CO)C2)c2nc3ccccc3s2)c1 ZINC001450201949 1067059784 /nfs/dbraw/zinc/05/97/84/1067059784.db2.gz WYLAQGBQJAOANS-UWKDKTGGSA-N 0 0 458.530 4.712 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)Cc3ccc(Br)c(Cl)c3)CC2)cc1 ZINC001450200452 1067059924 /nfs/dbraw/zinc/05/99/24/1067059924.db2.gz SSQICKHDGAZKSK-NRFANRHFSA-N 0 0 452.776 4.626 20 0 JJADRN CCC(CC)(Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)CC1)OC ZINC001545771671 1067059801 /nfs/dbraw/zinc/05/98/01/1067059801.db2.gz WSQYUROZXXVRIB-UHFFFAOYSA-N 0 0 492.089 4.787 20 0 JJADRN COCCCOc1ccc(C(=O)O[C@H](c2cc(Br)cs2)C(F)(F)F)cn1 ZINC001458436882 1067059914 /nfs/dbraw/zinc/05/99/14/1067059914.db2.gz QHPNENDNBWLJHS-CQSZACIVSA-N 0 0 454.264 4.781 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H]1CC)Oc1cccc(F)c1 ZINC001546020415 1067060165 /nfs/dbraw/zinc/06/01/65/1067060165.db2.gz DQMYDIPEELVXPT-XAZGASFZSA-N 0 0 460.594 4.624 20 0 JJADRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccc(-n2cc(Br)cn2)cc1 ZINC001458438670 1067060087 /nfs/dbraw/zinc/06/00/87/1067060087.db2.gz LUHXCHOFPLQZEC-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CC(C)N(CC(=O)OC(C)(C)C)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001458438327 1067060173 /nfs/dbraw/zinc/06/01/73/1067060173.db2.gz GJDRFISBJBAHQD-UHFFFAOYSA-N 0 0 453.402 4.694 20 0 JJADRN CCOC(=O)c1cnc(C)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001458438851 1067060189 /nfs/dbraw/zinc/06/01/89/1067060189.db2.gz JGBYZOXSJLECEK-UHFFFAOYSA-N 0 0 450.335 4.622 20 0 JJADRN Cc1cnc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c(Br)c1 ZINC001458438267 1067060338 /nfs/dbraw/zinc/06/03/38/1067060338.db2.gz KKXRGWSQKYNKRZ-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)co1 ZINC001545771796 1067060271 /nfs/dbraw/zinc/06/02/71/1067060271.db2.gz AACCKELJTUPRJZ-KRWDZBQOSA-N 0 0 456.524 4.828 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1nncn1C)OC ZINC001545771769 1067060328 /nfs/dbraw/zinc/06/03/28/1067060328.db2.gz ZGPLRPOSTKGZGT-NHCUHLMSSA-N 0 0 481.645 4.710 20 0 JJADRN Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001450212779 1067060213 /nfs/dbraw/zinc/06/02/13/1067060213.db2.gz JVONBRVHMLSKNH-JRGCBEDISA-N 0 0 455.555 4.783 20 0 JJADRN Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001450212785 1067060270 /nfs/dbraw/zinc/06/02/70/1067060270.db2.gz JVONBRVHMLSKNH-QMMLZNLJSA-N 0 0 455.555 4.783 20 0 JJADRN CCC(O)(CC)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(Br)C1 ZINC001546020519 1067060313 /nfs/dbraw/zinc/06/03/13/1067060313.db2.gz IDOCYPHVMHTXNX-UHFFFAOYSA-N 0 0 490.446 4.577 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)O[C@H](c1cc(Br)cs1)C(F)(F)F ZINC001458439017 1067060598 /nfs/dbraw/zinc/06/05/98/1067060598.db2.gz WVRDEJARPBRKFR-MRXNPFEDSA-N 0 0 452.292 4.916 20 0 JJADRN CC[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)cc1 ZINC001458439880 1067060653 /nfs/dbraw/zinc/06/06/53/1067060653.db2.gz XRBGIJRPOMHUIO-HXUWFJFHSA-N 0 0 451.972 4.831 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(C)=O)CC1)SC ZINC001545772505 1067060704 /nfs/dbraw/zinc/06/07/04/1067060704.db2.gz CEQBTUWQWJJGDO-UHFFFAOYSA-N 0 0 464.079 4.873 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC001458440161 1067060895 /nfs/dbraw/zinc/06/08/95/1067060895.db2.gz QHZBIHQFKRTXFF-XJKSGUPXSA-N 0 0 459.637 4.639 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458440268 1067060947 /nfs/dbraw/zinc/06/09/47/1067060947.db2.gz FLMQAXUIEZCZND-RHSMWYFYSA-N 0 0 452.045 4.963 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545772587 1067060949 /nfs/dbraw/zinc/06/09/49/1067060949.db2.gz DYBNDHCCKDZCHO-OAQYLSRUSA-N 0 0 462.660 4.889 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)OC ZINC001545772647 1067061010 /nfs/dbraw/zinc/06/10/10/1067061010.db2.gz HDYPILQKCHWJQA-JKSUJKDBSA-N 0 0 483.476 4.837 20 0 JJADRN CCc1ccnc(C(=O)NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 ZINC001458440887 1067061113 /nfs/dbraw/zinc/06/11/13/1067061113.db2.gz TUFQIZQCQHIXST-UHFFFAOYSA-N 0 0 455.352 4.924 20 0 JJADRN Cc1cnc(NC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)c(Br)c1 ZINC001458441321 1067061410 /nfs/dbraw/zinc/06/14/10/1067061410.db2.gz JYYZJNVGVRLXDQ-UHFFFAOYSA-N 0 0 450.340 4.970 20 0 JJADRN Cc1ncc(I)c(Oc2ccc(Br)c(C(F)(F)F)c2)n1 ZINC001458442522 1067061437 /nfs/dbraw/zinc/06/14/37/1067061437.db2.gz VXFALCOTMHXCNU-UHFFFAOYSA-N 0 0 459.003 4.963 20 0 JJADRN O=C(c1ccccc1CCc1ccccc1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450227744 1067061595 /nfs/dbraw/zinc/06/15/95/1067061595.db2.gz LCEWRZDOYKSECT-OAQYLSRUSA-N 0 0 451.364 4.923 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccc(C)o1)OC ZINC001545772848 1067062147 /nfs/dbraw/zinc/06/21/47/1067062147.db2.gz ONVQMDGJDJHKSX-NRFANRHFSA-N 0 0 486.638 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3ccc(C=O)o3)ccc2O)CC12CCC2 ZINC001450240160 1067062723 /nfs/dbraw/zinc/06/27/23/1067062723.db2.gz QBBXIKXTAYFBMS-KRWDZBQOSA-N 0 0 454.523 4.517 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC001450240863 1067062860 /nfs/dbraw/zinc/06/28/60/1067062860.db2.gz RAANAJMOMDHCIN-NRFANRHFSA-N 0 0 456.999 4.816 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(OC)C1)OC ZINC001545773012 1067063084 /nfs/dbraw/zinc/06/30/84/1067063084.db2.gz TVVKFBWNHSHUCO-LJQANCHMSA-N 0 0 471.465 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(c1ccc(Br)c(C(F)(F)F)n1)CC2 ZINC001458446960 1067063403 /nfs/dbraw/zinc/06/34/03/1067063403.db2.gz RBRGATCXJSAHIX-UHFFFAOYSA-N 0 0 450.299 4.843 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC001458448550 1067063830 /nfs/dbraw/zinc/06/38/30/1067063830.db2.gz PQJNKUMCEFMVIP-GOSISDBHSA-N 0 0 453.421 4.637 20 0 JJADRN CC(C)(C)CCC1(O)CC(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001450247528 1067064072 /nfs/dbraw/zinc/06/40/72/1067064072.db2.gz DEOXWMNKDJMUIU-YWQADCKLSA-N 0 0 450.664 4.840 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)OC ZINC001545774019 1067064195 /nfs/dbraw/zinc/06/41/95/1067064195.db2.gz BFGIMWAREFNRIS-UWJYYQICSA-N 0 0 496.483 4.614 20 0 JJADRN Nc1cc(I)ccc1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC001450252951 1067064763 /nfs/dbraw/zinc/06/47/63/1067064763.db2.gz POXVJWORKMIHFZ-OAQYLSRUSA-N 0 0 454.311 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)C1 ZINC001450256310 1067065179 /nfs/dbraw/zinc/06/51/79/1067065179.db2.gz LYCIVUDEJBAETR-OLKYXYMISA-N 0 0 456.627 4.692 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001450258512 1067065246 /nfs/dbraw/zinc/06/52/46/1067065246.db2.gz OTSRWEJUVBUNST-JKSUJKDBSA-N 0 0 454.970 4.987 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001450258505 1067065339 /nfs/dbraw/zinc/06/53/39/1067065339.db2.gz OTSRWEJUVBUNST-CVEARBPZSA-N 0 0 454.970 4.987 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)SC ZINC001545774268 1067065605 /nfs/dbraw/zinc/06/56/05/1067065605.db2.gz JMOZWCXVXDSGCT-HNNXBMFYSA-N 0 0 484.041 4.936 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)OC ZINC001545774300 1067066146 /nfs/dbraw/zinc/06/61/46/1067066146.db2.gz KMDPUOLXWNCFQH-FQEVSTJZSA-N 0 0 484.576 4.591 20 0 JJADRN O=C(Nc1ccc2oc(CO)cc2c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001450265518 1067066503 /nfs/dbraw/zinc/06/65/03/1067066503.db2.gz BQNVRPKFFOWZRI-UHFFFAOYSA-N 0 0 456.907 4.632 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)SC ZINC001545774455 1067066805 /nfs/dbraw/zinc/06/68/05/1067066805.db2.gz QASWQZSKMSJHEA-NRFANRHFSA-N 0 0 451.036 4.516 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCCC2=O)CC1)SC ZINC001545774471 1067067216 /nfs/dbraw/zinc/06/72/16/1067067216.db2.gz QJWHLPHOPRMBLX-UHFFFAOYSA-N 0 0 459.660 4.750 20 0 JJADRN CN1CCO[C@@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453745 1067067422 /nfs/dbraw/zinc/06/74/22/1067067422.db2.gz MNFZPZNFBWXYFK-AOYPEHQESA-N 0 0 457.014 4.566 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456553 1067067668 /nfs/dbraw/zinc/06/76/68/1067067668.db2.gz SUITUMXINLRMPO-RSXGOPAZSA-N 0 0 457.014 4.782 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC001546021298 1067067809 /nfs/dbraw/zinc/06/78/09/1067067809.db2.gz DJCCUCCEIOZLKC-LOSJGSFVSA-N 0 0 450.623 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CC[C@H]21 ZINC001450274825 1067067899 /nfs/dbraw/zinc/06/78/99/1067067899.db2.gz JEJAEGSTVKAQNT-CRAIPNDOSA-N 0 0 451.405 4.585 20 0 JJADRN C[C@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)c1ccc(N2CCCOC2=O)cc1 ZINC001450276010 1067068177 /nfs/dbraw/zinc/06/81/77/1067068177.db2.gz SIKUTQKVAMQPCL-ZDUSSCGKSA-N 0 0 459.424 4.797 20 0 JJADRN COCc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001450277591 1067068272 /nfs/dbraw/zinc/06/82/72/1067068272.db2.gz MFXOWDHEWURJNQ-LJQANCHMSA-N 0 0 452.551 4.787 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCC(CCCO)CC1)OC ZINC001545775609 1067068787 /nfs/dbraw/zinc/06/87/87/1067068787.db2.gz FBNCXANBXJCSJT-UHFFFAOYSA-N 0 0 479.463 4.902 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545775575 1067068838 /nfs/dbraw/zinc/06/88/38/1067068838.db2.gz CZSGSIPWNLCLOL-NRFANRHFSA-N 0 0 451.615 4.950 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)SC ZINC001545775558 1067068854 /nfs/dbraw/zinc/06/88/54/1067068854.db2.gz CKKHTSWBFQRMLL-UHFFFAOYSA-N 0 0 472.703 4.805 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)Cc1ccccc1 ZINC001450283742 1067069099 /nfs/dbraw/zinc/06/90/99/1067069099.db2.gz URQVIBOLGUFOCG-FQEVSTJZSA-N 0 0 455.580 4.540 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001458466639 1067069315 /nfs/dbraw/zinc/06/93/15/1067069315.db2.gz JVKOOTYJLYWFJK-UHFFFAOYSA-N 0 0 454.502 4.598 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)OC ZINC001545775716 1067069450 /nfs/dbraw/zinc/06/94/50/1067069450.db2.gz IMOZXDLQPNRFAV-UHFFFAOYSA-N 0 0 464.536 4.847 20 0 JJADRN CC(C)(C)c1nc(CCNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cs1 ZINC001458467963 1067069512 /nfs/dbraw/zinc/06/95/12/1067069512.db2.gz RYRAIABYZFEOTQ-GOSISDBHSA-N 0 0 450.446 4.699 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)SC ZINC001545776054 1067070430 /nfs/dbraw/zinc/07/04/30/1067070430.db2.gz UNZFCLICWLAIDE-QZTJIDSGSA-N 0 0 489.711 4.673 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)SC ZINC001545776053 1067070445 /nfs/dbraw/zinc/07/04/45/1067070445.db2.gz UNZFCLICWLAIDE-MSOLQXFVSA-N 0 0 489.711 4.673 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@H]1c1ccc(OC)cc1 ZINC001458470024 1067070446 /nfs/dbraw/zinc/07/04/46/1067070446.db2.gz LYIPGRCOHFQBGX-LAUBAEHRSA-N 0 0 456.493 4.838 20 0 JJADRN O=C(C[C@H]1CCC2(CCC2)CO1)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458471260 1067070553 /nfs/dbraw/zinc/07/05/53/1067070553.db2.gz QVNZQURFUJMUAN-CQSZACIVSA-N 0 0 450.295 4.702 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)C1([C@@H]2CCCCO2)CCC1 ZINC001458471686 1067070640 /nfs/dbraw/zinc/07/06/40/1067070640.db2.gz UNCFWHIBYNEGQI-INIZCTEOSA-N 0 0 450.295 4.702 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001546021652 1067070825 /nfs/dbraw/zinc/07/08/25/1067070825.db2.gz MBQHORPMFOHCSY-RDGATRHJSA-N 0 0 455.620 4.911 20 0 JJADRN O=C(CSCc1cccs1)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458472465 1067070871 /nfs/dbraw/zinc/07/08/71/1067070871.db2.gz YTEALIJVMDOZIZ-UHFFFAOYSA-N 0 0 454.333 4.958 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545776219 1067071191 /nfs/dbraw/zinc/07/11/91/1067071191.db2.gz ZXAQRPJUWDXIJD-IYBDPMFKSA-N 0 0 451.409 4.526 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545777510 1067071315 /nfs/dbraw/zinc/07/13/15/1067071315.db2.gz CSUMJQCNBQVJGN-GOSISDBHSA-N 0 0 475.609 4.735 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)OC ZINC001545777557 1067071650 /nfs/dbraw/zinc/07/16/50/1067071650.db2.gz FSLRMRAXGSWLFW-QHCPKHFHSA-N 0 0 467.589 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC001546101207 1067071859 /nfs/dbraw/zinc/07/18/59/1067071859.db2.gz XMPVSQBZOOHUIK-XMMPIXPASA-N 0 0 457.596 4.767 20 0 JJADRN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001450341689 1067071957 /nfs/dbraw/zinc/07/19/57/1067071957.db2.gz CZGNVFOVRKXOOP-INIZCTEOSA-N 0 0 459.251 4.946 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)N1CC2(C1)CCCCC2)c1ccccc1 ZINC001450348794 1067072388 /nfs/dbraw/zinc/07/23/88/1067072388.db2.gz KCCNIKMLGJUMAC-QFIPXVFZSA-N 0 0 455.396 4.642 20 0 JJADRN O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N1CCN(Cc2cccc(F)c2)CC1 ZINC001458479297 1067072323 /nfs/dbraw/zinc/07/23/23/1067072323.db2.gz WHZZQUQIDMUFPL-UHFFFAOYSA-N 0 0 452.957 4.945 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1)SC ZINC001545777893 1067072366 /nfs/dbraw/zinc/07/23/66/1067072366.db2.gz PJQOSOBAAQXRKD-UHFFFAOYSA-N 0 0 470.618 4.844 20 0 JJADRN Cc1cc(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)cn2ccnc12 ZINC001450348489 1067072470 /nfs/dbraw/zinc/07/24/70/1067072470.db2.gz JGZNBRNGUOWZNI-UHFFFAOYSA-N 0 0 455.584 4.541 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cnc(-c2cccc(Cl)c2)s1 ZINC001450351205 1067072685 /nfs/dbraw/zinc/07/26/85/1067072685.db2.gz NJWLXYVPVPMRKZ-HNNXBMFYSA-N 0 0 455.736 4.829 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ncc(Br)cn2)cc1F ZINC001458480210 1067072690 /nfs/dbraw/zinc/07/26/90/1067072690.db2.gz URCFWBZZOJSSPP-RDJZCZTQSA-N 0 0 481.366 4.592 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1)SC ZINC001545778007 1067072697 /nfs/dbraw/zinc/07/26/97/1067072697.db2.gz UDKMQXVFFIWXMF-NRFANRHFSA-N 0 0 457.619 4.922 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)cc2)c1 ZINC001458481209 1067072737 /nfs/dbraw/zinc/07/27/37/1067072737.db2.gz WBVWEZRNRWNPGN-NRFANRHFSA-N 0 0 455.436 4.514 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)SC ZINC001545777988 1067072774 /nfs/dbraw/zinc/07/27/74/1067072774.db2.gz SSKNQLKGERBAPW-RXVVDRJESA-N 0 0 478.106 4.677 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)SC ZINC001545778015 1067072799 /nfs/dbraw/zinc/07/27/99/1067072799.db2.gz UHGFZMNUPCDIAY-SBUREZEXSA-N 0 0 465.063 4.905 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)SC ZINC001545778014 1067072855 /nfs/dbraw/zinc/07/28/55/1067072855.db2.gz UHGFZMNUPCDIAY-HXOBKFHXSA-N 0 0 465.063 4.905 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)OC ZINC001545777993 1067072931 /nfs/dbraw/zinc/07/29/31/1067072931.db2.gz SUGAMGFLHLNKML-SFTDATJTSA-N 0 0 456.631 4.802 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001450359371 1067073146 /nfs/dbraw/zinc/07/31/46/1067073146.db2.gz FTIDPPMPTAYMFZ-VQTJNVASSA-N 0 0 452.954 4.664 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)SC ZINC001545778016 1067073210 /nfs/dbraw/zinc/07/32/10/1067073210.db2.gz UHGFZMNUPCDIAY-UZUQRXQVSA-N 0 0 465.063 4.905 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)CCCN(C)C(=O)c4ccncc4)cc32)c1 ZINC001458482376 1067073272 /nfs/dbraw/zinc/07/32/72/1067073272.db2.gz OLEZAPFCTRBIBX-UHFFFAOYSA-N 0 0 456.546 4.584 20 0 JJADRN Cc1nc([C@@H](NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)c2cnn(C)c2)no1 ZINC001450366672 1067073571 /nfs/dbraw/zinc/07/35/71/1067073571.db2.gz XRIJBMCCAHQZCB-FMGOULFRSA-N 0 0 460.365 4.523 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccco1 ZINC001545778513 1067073593 /nfs/dbraw/zinc/07/35/93/1067073593.db2.gz JKHSJVCIKIWDGP-QGZVFWFLSA-N 0 0 459.365 4.972 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)SC ZINC001545779201 1067073688 /nfs/dbraw/zinc/07/36/88/1067073688.db2.gz GNXNVJOEBHUPFP-UHFFFAOYSA-N 0 0 496.656 4.800 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001450365730 1067073866 /nfs/dbraw/zinc/07/38/66/1067073866.db2.gz VTPMPYINZDSANT-UHFFFAOYSA-N 0 0 453.468 4.748 20 0 JJADRN Cc1nc([C@H](NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)c2cnn(C)c2)no1 ZINC001450367212 1067073882 /nfs/dbraw/zinc/07/38/82/1067073882.db2.gz XRIJBMCCAHQZCB-NJXQTOCLSA-N 0 0 460.365 4.523 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545779381 1067073989 /nfs/dbraw/zinc/07/39/89/1067073989.db2.gz MRHZFYTUGSLYHX-LJQANCHMSA-N 0 0 496.656 4.745 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001450379876 1067074128 /nfs/dbraw/zinc/07/41/28/1067074128.db2.gz KQJQXSRXFFFPOT-INIZCTEOSA-N 0 0 454.246 4.541 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N(C)CCOC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545779551 1067074416 /nfs/dbraw/zinc/07/44/16/1067074416.db2.gz RSYHLPATGSFFEB-UHFFFAOYSA-N 0 0 462.639 4.608 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(Br)cc1C(C)C ZINC001458494348 1067074541 /nfs/dbraw/zinc/07/45/41/1067074541.db2.gz DBNHKULONYXVLB-UHFFFAOYSA-N 0 0 456.388 4.963 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)S[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545779725 1067074828 /nfs/dbraw/zinc/07/48/28/1067074828.db2.gz YSNMWSQAYLLYNM-IAGOWNOFSA-N 0 0 462.664 4.687 20 0 JJADRN CC(=O)c1cccc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC001458496994 1067074830 /nfs/dbraw/zinc/07/48/30/1067074830.db2.gz CYNDOJGUZKAQMP-UHFFFAOYSA-N 0 0 457.935 4.725 20 0 JJADRN Cc1cc(C(F)(F)F)c(NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nn1 ZINC001458496610 1067074992 /nfs/dbraw/zinc/07/49/92/1067074992.db2.gz QYNFEXGFGDEUIX-UHFFFAOYSA-N 0 0 458.282 4.675 20 0 JJADRN Cc1cc(-n2c(C)cc(C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)c2C)no1 ZINC001450383161 1067075028 /nfs/dbraw/zinc/07/50/28/1067075028.db2.gz VPSPECWBQDFHIV-UHFFFAOYSA-N 0 0 454.328 4.806 20 0 JJADRN C[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001450394059 1067075497 /nfs/dbraw/zinc/07/54/97/1067075497.db2.gz AGGVVAUPULSNTK-RVKKMQEKSA-N 0 0 458.521 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1ccc(Oc3ccc(F)cc3)nc1)CC2 ZINC001450395286 1067075870 /nfs/dbraw/zinc/07/58/70/1067075870.db2.gz KISLFDTXEAGFCT-UHFFFAOYSA-N 0 0 455.530 4.876 20 0 JJADRN C[C@@H](C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)n1ccc2ccccc2c1=O ZINC001450397411 1067075924 /nfs/dbraw/zinc/07/59/24/1067075924.db2.gz CTPAJEUCFRLZTN-HRAATJIYSA-N 0 0 458.480 4.960 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001458500762 1067075872 /nfs/dbraw/zinc/07/58/72/1067075872.db2.gz NWLTVJUGMALUAT-WTBBCNCBSA-N 0 0 475.467 4.576 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001545780467 1067075886 /nfs/dbraw/zinc/07/58/86/1067075886.db2.gz XFUYDVMZUPOHFZ-KRWDZBQOSA-N 0 0 453.587 4.642 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)SC ZINC001545780659 1067076002 /nfs/dbraw/zinc/07/60/02/1067076002.db2.gz CWSBLUTZHBVNHD-KRWDZBQOSA-N 0 0 470.647 4.547 20 0 JJADRN C[C@@H](CF)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC(C)(C)C ZINC001450398620 1067076029 /nfs/dbraw/zinc/07/60/29/1067076029.db2.gz NFAXAULNVVSGJK-HKARXFIJSA-N 0 0 456.558 4.572 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3cn(C)nc3C3CCCCC3)CC2=O)ccc1Br ZINC001450401258 1067076325 /nfs/dbraw/zinc/07/63/25/1067076325.db2.gz KXCWBVVVZBWSPR-INIZCTEOSA-N 0 0 459.388 4.530 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1 ZINC001458502781 1067076533 /nfs/dbraw/zinc/07/65/33/1067076533.db2.gz WAKFVCAMNCPMHJ-JOCHJYFZSA-N 0 0 452.436 4.814 20 0 JJADRN CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC001450403988 1067076807 /nfs/dbraw/zinc/07/68/07/1067076807.db2.gz HZQVVPUQKYITSQ-JYWFKMLOSA-N 0 0 456.549 4.518 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1F)SC ZINC001545780902 1067076620 /nfs/dbraw/zinc/07/66/20/1067076620.db2.gz NDKHTTMYCJINPA-UHFFFAOYSA-N 0 0 459.591 4.703 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H]1C)OC ZINC001545780993 1067076761 /nfs/dbraw/zinc/07/67/61/1067076761.db2.gz PWXLSEGHJFOTGG-RBUKOAKNSA-N 0 0 466.630 4.676 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001450405220 1067076942 /nfs/dbraw/zinc/07/69/42/1067076942.db2.gz DZHIGPFYJASATA-RBBKRZOGSA-N 0 0 458.599 4.686 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)nn1CCCOc1ccc(F)cc1 ZINC001458504885 1067077053 /nfs/dbraw/zinc/07/70/53/1067077053.db2.gz HMHPUPWPDPAVSQ-QFIPXVFZSA-N 0 0 459.562 4.886 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC(F)F ZINC001450405922 1067077159 /nfs/dbraw/zinc/07/71/59/1067077159.db2.gz DPFITLXXIOIATM-IRXDYDNUSA-N 0 0 454.514 4.548 20 0 JJADRN Cn1cc(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c(C2CCCCC2)n1 ZINC001450405116 1067077219 /nfs/dbraw/zinc/07/72/19/1067077219.db2.gz UPDNZWMBMPEUBE-UHFFFAOYSA-N 0 0 454.571 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc(C(=O)c3ccco3)c2)C1 ZINC001450408097 1067077635 /nfs/dbraw/zinc/07/76/35/1067077635.db2.gz JVPGCWUDYSYKHW-LEWJYISDSA-N 0 0 452.551 4.762 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2=O)ccc1Br ZINC001458506474 1067077864 /nfs/dbraw/zinc/07/78/64/1067077864.db2.gz MCKQVOLPXCDVLP-MHECFPHRSA-N 0 0 455.396 4.521 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001458505520 1067077997 /nfs/dbraw/zinc/07/79/97/1067077997.db2.gz ZLIAKPGUFUDEKA-HOTGVXAUSA-N 0 0 456.530 4.741 20 0 JJADRN CC(C)[C@@H](OC(=O)c1cc(I)nn1C)c1cccc(C(F)(F)F)c1 ZINC001458505644 1067078059 /nfs/dbraw/zinc/07/80/59/1067078059.db2.gz LQZZYPOHSCDBNU-CQSZACIVSA-N 0 0 452.214 4.598 20 0 JJADRN C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccccc1OCc1ccccc1 ZINC001458508266 1067078193 /nfs/dbraw/zinc/07/81/93/1067078193.db2.gz STTNHEIEALAXJB-NNWRFLSQSA-N 0 0 453.579 4.970 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)SC ZINC001545782818 1067078295 /nfs/dbraw/zinc/07/82/95/1067078295.db2.gz WWTCNSDUDFHLGI-QGZVFWFLSA-N 0 0 487.567 4.945 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001450412741 1067078546 /nfs/dbraw/zinc/07/85/46/1067078546.db2.gz PHUCKSITILXUAW-JOCHJYFZSA-N 0 0 457.357 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC001450412231 1067078664 /nfs/dbraw/zinc/07/86/64/1067078664.db2.gz OPRXQTTVMIIZNR-IFMALSPDSA-N 0 0 453.583 4.511 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)C1 ZINC001458509722 1067078610 /nfs/dbraw/zinc/07/86/10/1067078610.db2.gz YYMRIHUSJMGUKB-JTHBVZDNSA-N 0 0 451.611 4.911 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(c1nc(-c3cc(F)cc(F)c3)ns1)C2 ZINC001458511437 1067078631 /nfs/dbraw/zinc/07/86/31/1067078631.db2.gz CMRFRFSOIGKDEM-UHFFFAOYSA-N 0 0 458.309 4.614 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546101583 1067078823 /nfs/dbraw/zinc/07/88/23/1067078823.db2.gz GNTYTTAEFFURLK-GKVQRAMASA-N 0 0 479.691 4.641 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)SC ZINC001545783692 1067078724 /nfs/dbraw/zinc/07/87/24/1067078724.db2.gz AIFMOQHRCITOPK-JOCHJYFZSA-N 0 0 487.714 4.567 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)SC ZINC001545783693 1067078741 /nfs/dbraw/zinc/07/87/41/1067078741.db2.gz AIFMOQHRCITOPK-QFIPXVFZSA-N 0 0 487.714 4.567 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001450417718 1067078869 /nfs/dbraw/zinc/07/88/69/1067078869.db2.gz UFMHJYNFHZOHGV-GMAHTHKFSA-N 0 0 452.378 4.788 20 0 JJADRN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1F ZINC001458516046 1067078921 /nfs/dbraw/zinc/07/89/21/1067078921.db2.gz AWVBINZRKJBHLZ-HIFRSBDPSA-N 0 0 452.295 4.884 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3sc(-c4c(C)noc4C)nc3C)CC2)cc1 ZINC001450417595 1067079101 /nfs/dbraw/zinc/07/91/01/1067079101.db2.gz TXOLIFBJYCIFEL-OAQYLSRUSA-N 0 0 455.580 4.708 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1F ZINC001458516044 1067079162 /nfs/dbraw/zinc/07/91/62/1067079162.db2.gz AWVBINZRKJBHLZ-DZGCQCFKSA-N 0 0 452.295 4.884 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450418124 1067079335 /nfs/dbraw/zinc/07/93/35/1067079335.db2.gz VFBOLYLPMQVXSU-UWHLTILDSA-N 0 0 479.662 4.708 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1scc(Br)c1Br)C(=O)OC(C)(C)C ZINC001458518720 1067079582 /nfs/dbraw/zinc/07/95/82/1067079582.db2.gz QGYZNRYKJYSSCT-KWQFWETISA-N 0 0 455.212 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(F)(c3ccccc3F)C2)(c2ccccc2)CC1 ZINC001450421216 1067080027 /nfs/dbraw/zinc/08/00/27/1067080027.db2.gz KSTIUAUIWMPPTC-UHFFFAOYSA-N 0 0 456.533 4.802 20 0 JJADRN O=C(CSc1nncn1-c1cccc(Cl)c1)NCCOc1ccc(Cl)c(Cl)c1 ZINC001450420850 1067080046 /nfs/dbraw/zinc/08/00/46/1067080046.db2.gz WSXRSQHGVQEWRS-UHFFFAOYSA-N 0 0 457.770 4.515 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N1CCSC(C)(C)C1 ZINC001546022696 1067080146 /nfs/dbraw/zinc/08/01/46/1067080146.db2.gz KWVHUZQVYYRGOE-UHFFFAOYSA-N 0 0 453.450 4.591 20 0 JJADRN CC1(C)CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450421165 1067080159 /nfs/dbraw/zinc/08/01/59/1067080159.db2.gz XSNRWRGUBFQNRH-HXUWFJFHSA-N 0 0 459.468 4.567 20 0 JJADRN Cn1cc(Br)c(=O)c(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1 ZINC001458522718 1067080220 /nfs/dbraw/zinc/08/02/20/1067080220.db2.gz YWGAPDGGHRXPGB-UHFFFAOYSA-N 0 0 450.292 4.722 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@H](CO)CC3)cc12 ZINC001450436913 1067080266 /nfs/dbraw/zinc/08/02/66/1067080266.db2.gz ZOHIKZACJQEJEF-AWEZNQCLSA-N 0 0 452.407 4.996 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1)SC ZINC001545784401 1067080282 /nfs/dbraw/zinc/08/02/82/1067080282.db2.gz RYGURJVKMCXEIR-YADHBBJMSA-N 0 0 458.672 4.889 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001450438661 1067080300 /nfs/dbraw/zinc/08/03/00/1067080300.db2.gz KLTMVHJEEUWCIA-UHFFFAOYSA-N 0 0 458.301 4.729 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1)c1ccc(Cl)cc1 ZINC001450439107 1067080310 /nfs/dbraw/zinc/08/03/10/1067080310.db2.gz RNBBFQVSTAYSRN-OFVILXPXSA-N 0 0 452.913 4.533 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1)OC ZINC001545784252 1067080327 /nfs/dbraw/zinc/08/03/27/1067080327.db2.gz OLTNUDWRMFCPBP-UHFFFAOYSA-N 0 0 455.647 4.614 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1)SC ZINC001545784209 1067080561 /nfs/dbraw/zinc/08/05/61/1067080561.db2.gz NESWGPVIHPXBNO-NRFANRHFSA-N 0 0 461.651 4.907 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)SC ZINC001545784474 1067080707 /nfs/dbraw/zinc/08/07/07/1067080707.db2.gz UAGMGEAIRFPCBZ-NRFANRHFSA-N 0 0 477.719 4.670 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001546022834 1067080954 /nfs/dbraw/zinc/08/09/54/1067080954.db2.gz OYFBMZNLXONECO-NRFANRHFSA-N 0 0 468.646 4.573 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)CCC2=O)cc1C ZINC001458526843 1067080972 /nfs/dbraw/zinc/08/09/72/1067080972.db2.gz LGJXJQCDQPOCSJ-HSZRJFAPSA-N 0 0 455.558 4.615 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCC(F)(F)CC2)cc1OC ZINC001458525767 1067080990 /nfs/dbraw/zinc/08/09/90/1067080990.db2.gz LHWOYOKHDPWYSC-UHFFFAOYSA-N 0 0 455.505 4.923 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC001450449766 1067081171 /nfs/dbraw/zinc/08/11/71/1067081171.db2.gz CBWFLZNXOMGOQY-VZOQVYJPSA-N 0 0 455.352 4.649 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)=C(Br)C1)SC ZINC001545784599 1067081292 /nfs/dbraw/zinc/08/12/92/1067081292.db2.gz WQHPKUHQNRXOHD-MRXNPFEDSA-N 0 0 457.482 4.973 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458527794 1067081636 /nfs/dbraw/zinc/08/16/36/1067081636.db2.gz PTWOCDDWLDOEPM-INIZCTEOSA-N 0 0 453.336 4.785 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H](CO)c3ccc(Br)cc3)cc2)cc1 ZINC001450454706 1067081867 /nfs/dbraw/zinc/08/18/67/1067081867.db2.gz SMUXXYRMFJWVOM-JOCHJYFZSA-N 0 0 454.320 4.907 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)CC[C@H](C)c1ccccc1 ZINC001458528931 1067081993 /nfs/dbraw/zinc/08/19/93/1067081993.db2.gz SCHFIQVUALXXFR-MGPUTAFESA-N 0 0 457.368 4.715 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc(Br)cc1OCCCO ZINC001450455277 1067082041 /nfs/dbraw/zinc/08/20/41/1067082041.db2.gz XWFDRAJGBJIJBH-UIAACRFSSA-N 0 0 464.425 4.534 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC001458528444 1067082052 /nfs/dbraw/zinc/08/20/52/1067082052.db2.gz ACHGVAAWSDZRGE-MRXNPFEDSA-N 0 0 454.592 4.682 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc3n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CCC2 ZINC001458531007 1067082280 /nfs/dbraw/zinc/08/22/80/1067082280.db2.gz NOKFAPVFLYEELJ-JTSKRJEESA-N 0 0 452.599 4.953 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001458530874 1067082342 /nfs/dbraw/zinc/08/23/42/1067082342.db2.gz JFDXXWZPQYGTSM-ACJLOTCBSA-N 0 0 454.361 4.880 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001546023085 1067082544 /nfs/dbraw/zinc/08/25/44/1067082544.db2.gz VOCYFEMHLOSJPR-IXDOHACOSA-N 0 0 453.052 4.953 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001458530472 1067082441 /nfs/dbraw/zinc/08/24/41/1067082441.db2.gz YSAKALBLQYXBHX-FCHUYYIVSA-N 0 0 451.567 4.639 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1OC ZINC001458531459 1067082828 /nfs/dbraw/zinc/08/28/28/1067082828.db2.gz NGGFTLBMGZMTMS-INIZCTEOSA-N 0 0 453.485 4.822 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc2ccccc2o1 ZINC001546023137 1067082978 /nfs/dbraw/zinc/08/29/78/1067082978.db2.gz XHARIHNQNFMOME-UHFFFAOYSA-N 0 0 486.414 4.980 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2cccc(F)c2)CCO1 ZINC001546101829 1067083004 /nfs/dbraw/zinc/08/30/04/1067083004.db2.gz MLKYXFFBMFXZHZ-SMXKYELJSA-N 0 0 474.621 4.809 20 0 JJADRN CN(C)[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1cccc(Cl)c1 ZINC001450471689 1067083262 /nfs/dbraw/zinc/08/32/62/1067083262.db2.gz RIFKXBFRWZGVGM-NRFANRHFSA-N 0 0 459.974 4.711 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)CC1 ZINC001545787328 1067083295 /nfs/dbraw/zinc/08/32/95/1067083295.db2.gz LJTDUODYUWBUOM-FTVIIMBUSA-N 0 0 454.655 4.986 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001458533328 1067083486 /nfs/dbraw/zinc/08/34/86/1067083486.db2.gz VOUUHVDQEODVAT-JYYAWHABSA-N 0 0 457.621 4.758 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545788118 1067083519 /nfs/dbraw/zinc/08/35/19/1067083519.db2.gz JLGHHVSUWMISTD-FQEVSTJZSA-N 0 0 477.694 4.692 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)SC ZINC001545788123 1067083560 /nfs/dbraw/zinc/08/35/60/1067083560.db2.gz JQQGNAFVQPBDJZ-UHFFFAOYSA-N 0 0 477.641 4.683 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001545788126 1067083691 /nfs/dbraw/zinc/08/36/91/1067083691.db2.gz KAINJXBHTMLOEI-DEOSSOPVSA-N 0 0 465.683 4.956 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)OC ZINC001545788028 1067083780 /nfs/dbraw/zinc/08/37/80/1067083780.db2.gz GLGIIUNOCYWFNH-UHFFFAOYSA-N 0 0 451.656 4.565 20 0 JJADRN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C(C)=O)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001458536775 1067084031 /nfs/dbraw/zinc/08/40/31/1067084031.db2.gz TXCXYBXDOBIEBJ-GJZUVCINSA-N 0 0 457.530 4.724 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450479994 1067083980 /nfs/dbraw/zinc/08/39/80/1067083980.db2.gz XRGWBQMBHJUIJX-DQEYMECFSA-N 0 0 450.579 4.571 20 0 JJADRN CC(C)c1cccc(OCC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450475737 1067084071 /nfs/dbraw/zinc/08/40/71/1067084071.db2.gz RHLNXTJBTIPFEY-RPBOFIJWSA-N 0 0 450.579 4.742 20 0 JJADRN C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc([S@@](C)=O)cc1 ZINC001458538393 1067084350 /nfs/dbraw/zinc/08/43/50/1067084350.db2.gz PSXGSMOLFUKRIO-AZYRPFHASA-N 0 0 455.963 4.565 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCCOC1)SC ZINC001545788323 1067084452 /nfs/dbraw/zinc/08/44/52/1067084452.db2.gz QFCWOGQPFULKPQ-KRWDZBQOSA-N 0 0 452.615 4.932 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)OC ZINC001545788365 1067084470 /nfs/dbraw/zinc/08/44/70/1067084470.db2.gz RRRUURNNDUBBIV-UHFFFAOYSA-N 0 0 499.656 4.546 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc(Cl)c(S(C)(=O)=O)c4)cc3)ccc2O1 ZINC001458539161 1067084746 /nfs/dbraw/zinc/08/47/46/1067084746.db2.gz ADDLJAFQQORTHY-HNNXBMFYSA-N 0 0 455.963 4.664 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)OC ZINC001545788392 1067084947 /nfs/dbraw/zinc/08/49/47/1067084947.db2.gz SNNXJVKWPDFPBK-UHFFFAOYSA-N 0 0 494.055 4.827 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cs1 ZINC001545788915 1067085259 /nfs/dbraw/zinc/08/52/59/1067085259.db2.gz MIFZIPGTLLWESA-UHFFFAOYSA-N 0 0 456.395 4.602 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)SC ZINC001545789427 1067085752 /nfs/dbraw/zinc/08/57/52/1067085752.db2.gz HETTUPULJNOLLO-SANMLTNESA-N 0 0 465.667 4.592 20 0 JJADRN CC[C@@H](CSc1ccccc1)NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001546023565 1067085788 /nfs/dbraw/zinc/08/57/88/1067085788.db2.gz HSIYPDPKJKXYDM-SFHVURJKSA-N 0 0 454.596 4.660 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC=C(Br)C1)SC ZINC001545789650 1067086074 /nfs/dbraw/zinc/08/60/74/1067086074.db2.gz OKPWJUOPLCZCFJ-UHFFFAOYSA-N 0 0 450.450 4.675 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@@H]2C)CCO1 ZINC001546102009 1067086688 /nfs/dbraw/zinc/08/66/88/1067086688.db2.gz PIDPYAGHCBCOSL-HKARXFIJSA-N 0 0 483.440 4.842 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001546102060 1067086770 /nfs/dbraw/zinc/08/67/70/1067086770.db2.gz QFMPNBJUCORERJ-VWLOTQADSA-N 0 0 485.654 4.673 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCOc3c(F)cccc32)cc1 ZINC001458552796 1067086789 /nfs/dbraw/zinc/08/67/89/1067086789.db2.gz WARUSBPJPFSXBP-QFIPXVFZSA-N 0 0 455.507 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC001450532764 1067086946 /nfs/dbraw/zinc/08/69/46/1067086946.db2.gz KSXFTENTOMSCCM-DSLXNQLJSA-N 0 0 451.405 4.895 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2cccc(Br)c2n1 ZINC001545790633 1067087618 /nfs/dbraw/zinc/08/76/18/1067087618.db2.gz SLKFSHFDIVAZRK-UHFFFAOYSA-N 0 0 455.308 4.760 20 0 JJADRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001458560098 1067087928 /nfs/dbraw/zinc/08/79/28/1067087928.db2.gz AKBWHGKMDPBXRX-XUJVJEKNSA-N 0 0 454.308 4.838 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccc2ccccc2c1 ZINC001458567584 1067088685 /nfs/dbraw/zinc/08/86/85/1067088685.db2.gz IRQBFFMHWAJQFI-QFIPXVFZSA-N 0 0 458.518 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N[C@H](CCO)c3ccc(Cl)cc3)cc2C1 ZINC001450545310 1067089036 /nfs/dbraw/zinc/08/90/36/1067089036.db2.gz QFVJRERZDKOGQV-QGZVFWFLSA-N 0 0 450.988 4.548 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1C(F)F ZINC001450546106 1067089162 /nfs/dbraw/zinc/08/91/62/1067089162.db2.gz LDTLPMQPDDOTGS-LLVKDONJSA-N 0 0 456.456 4.673 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1)SC ZINC001545791489 1067089238 /nfs/dbraw/zinc/08/92/38/1067089238.db2.gz UHKMKESVBRLBJR-UHFFFAOYSA-N 0 0 469.621 4.669 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)NC(=O)OC(C)(C)C ZINC001545791546 1067089420 /nfs/dbraw/zinc/08/94/20/1067089420.db2.gz WYXSXYMDEZOFSI-JOCHJYFZSA-N 0 0 499.704 4.969 20 0 JJADRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC001458570075 1067089559 /nfs/dbraw/zinc/08/95/59/1067089559.db2.gz GKMNVHABCUVDAO-CQSZACIVSA-N 0 0 457.470 4.724 20 0 JJADRN CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](COC)C1)OC ZINC001545791611 1067089792 /nfs/dbraw/zinc/08/97/92/1067089792.db2.gz ZXKBTCHSTUNGOS-FQEVSTJZSA-N 0 0 453.631 4.808 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC001450549817 1067090080 /nfs/dbraw/zinc/09/00/80/1067090080.db2.gz QZCHYABLSUTTNP-MSOLQXFVSA-N 0 0 455.640 4.612 20 0 JJADRN COc1c(N)c(C(=O)N(OC)[C@@H]2CCCOc3ccccc32)cc(Cl)c1Br ZINC001546024099 1067090212 /nfs/dbraw/zinc/09/02/12/1067090212.db2.gz VQRMMSVQFAXQJA-CQSZACIVSA-N 0 0 455.736 4.611 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC001450549823 1067090275 /nfs/dbraw/zinc/09/02/75/1067090275.db2.gz QZCHYABLSUTTNP-ZWKOTPCHSA-N 0 0 455.640 4.612 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)SC ZINC001545792587 1067090343 /nfs/dbraw/zinc/09/03/43/1067090343.db2.gz GASDDENEDCHJCZ-VWLOTQADSA-N 0 0 488.698 4.596 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C)SC ZINC001545792557 1067090466 /nfs/dbraw/zinc/09/04/66/1067090466.db2.gz FDJPYABUPJLBEM-INIZCTEOSA-N 0 0 483.476 4.767 20 0 JJADRN CCC(CC)(Cn1c(CCCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545792609 1067090499 /nfs/dbraw/zinc/09/04/99/1067090499.db2.gz GTKVMRZXEXHRPT-UHFFFAOYSA-N 0 0 472.699 4.761 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C[C@H](C)c3ccccc3)[C@@H](C)CO)s2)cc1 ZINC001450552450 1067090513 /nfs/dbraw/zinc/09/05/13/1067090513.db2.gz XEKKGRSNLJBDIK-ROUUACIJSA-N 0 0 452.576 4.636 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C[C@@H](C)c3ccccc3)[C@@H](C)CO)s2)cc1 ZINC001450552448 1067090591 /nfs/dbraw/zinc/09/05/91/1067090591.db2.gz XEKKGRSNLJBDIK-MSOLQXFVSA-N 0 0 452.576 4.636 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450552981 1067090605 /nfs/dbraw/zinc/09/06/05/1067090605.db2.gz NCQOJPUDQGPUCW-QGZVFWFLSA-N 0 0 455.407 4.844 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(OC)C1)SC ZINC001545792729 1067090743 /nfs/dbraw/zinc/09/07/43/1067090743.db2.gz KIOMNIMOLNMIGA-UHFFFAOYSA-N 0 0 483.476 4.767 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@H]1C(F)(F)F ZINC001458582145 1067090757 /nfs/dbraw/zinc/09/07/57/1067090757.db2.gz RRUNTWDTRRCHSO-GDBMZVCRSA-N 0 0 456.896 4.936 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1)OC ZINC001545792787 1067090969 /nfs/dbraw/zinc/09/09/69/1067090969.db2.gz MMQMRNHCUZBJGT-UHFFFAOYSA-N 0 0 480.657 4.797 20 0 JJADRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1nccn1-c1ccccc1 ZINC001450553986 1067090972 /nfs/dbraw/zinc/09/09/72/1067090972.db2.gz YWSHYZOVRURBPR-MGPUTAFESA-N 0 0 456.493 4.594 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001450554012 1067091083 /nfs/dbraw/zinc/09/10/83/1067091083.db2.gz ZIBGGQOXGWYKSH-ZDUSSCGKSA-N 0 0 454.543 4.978 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCCC2=O)CC1)OC ZINC001545792914 1067091214 /nfs/dbraw/zinc/09/12/14/1067091214.db2.gz QJVZYEKMGNZELP-UHFFFAOYSA-N 0 0 497.684 4.660 20 0 JJADRN Cc1ccc(CN2CCO[C@@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590281 1067091765 /nfs/dbraw/zinc/09/17/65/1067091765.db2.gz FVKJUDDRVRIGSJ-NRFANRHFSA-N 0 0 453.384 4.527 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)SC ZINC001545793154 1067092045 /nfs/dbraw/zinc/09/20/45/1067092045.db2.gz XPOHNLUQHRPNGZ-QUCCMNQESA-N 0 0 474.627 4.510 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C)SC ZINC001545793223 1067092274 /nfs/dbraw/zinc/09/22/74/1067092274.db2.gz ZZXLNUWCQFCOBS-CTNGQTDRSA-N 0 0 455.672 4.705 20 0 JJADRN CON(Cc1ccccc1Cl)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450584803 1067092201 /nfs/dbraw/zinc/09/22/01/1067092201.db2.gz BZXLQHIYQDROLC-UHFFFAOYSA-N 0 0 450.922 4.769 20 0 JJADRN COC(=O)C1(N(C)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)CCCCC1 ZINC001458598437 1067092675 /nfs/dbraw/zinc/09/26/75/1067092675.db2.gz LGIDHKCFYJIDKM-UHFFFAOYSA-N 0 0 452.382 4.673 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC001450590056 1067092638 /nfs/dbraw/zinc/09/26/38/1067092638.db2.gz OCURIPYGVBGKFT-DEOSSOPVSA-N 0 0 456.608 4.950 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC001450589447 1067092707 /nfs/dbraw/zinc/09/27/07/1067092707.db2.gz MLLGDTGSRQBEGB-NRFANRHFSA-N 0 0 452.473 4.830 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545794732 1067093254 /nfs/dbraw/zinc/09/32/54/1067093254.db2.gz NAMCRFFSPQSPTD-NVQXNPDNSA-N 0 0 456.631 4.865 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1nnn(-c2ccccc2)c1C(F)F ZINC001458605039 1067093449 /nfs/dbraw/zinc/09/34/49/1067093449.db2.gz JROAVLPLATZFCC-LJQANCHMSA-N 0 0 453.880 4.967 20 0 JJADRN COc1cc(Br)cc(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC001458603919 1067093506 /nfs/dbraw/zinc/09/35/06/1067093506.db2.gz DNXNEYIBDOPUBX-UHFFFAOYSA-N 0 0 457.111 4.702 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001546024415 1067093525 /nfs/dbraw/zinc/09/35/25/1067093525.db2.gz DJYVYBQGGSCTNU-BEFAXECRSA-N 0 0 463.420 4.646 20 0 JJADRN CS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)Cc2ccccc21 ZINC001458608333 1067093815 /nfs/dbraw/zinc/09/38/15/1067093815.db2.gz FECRCYKNZIGWHQ-UHFFFAOYSA-N 0 0 456.951 4.554 20 0 JJADRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450603431 1067093999 /nfs/dbraw/zinc/09/39/99/1067093999.db2.gz IOWBIUPQMNRZEO-WMZHIEFXSA-N 0 0 453.380 4.954 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cn1 ZINC001458609583 1067094200 /nfs/dbraw/zinc/09/42/00/1067094200.db2.gz LFCPZVHUTUANRV-UHFFFAOYSA-N 0 0 457.168 4.734 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21)SC ZINC001545794921 1067094271 /nfs/dbraw/zinc/09/42/71/1067094271.db2.gz RUFUBNHQSNAETL-INDMIFKZSA-N 0 0 463.692 4.959 20 0 JJADRN C[C@H](CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CCc2ccccc21 ZINC001450601770 1067094320 /nfs/dbraw/zinc/09/43/20/1067094320.db2.gz WKDKTNAMPCKAHV-OFNKIYASSA-N 0 0 451.611 4.990 20 0 JJADRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450603413 1067094358 /nfs/dbraw/zinc/09/43/58/1067094358.db2.gz IOWBIUPQMNRZEO-AUSIDOKSSA-N 0 0 453.380 4.954 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611004 1067094402 /nfs/dbraw/zinc/09/44/02/1067094402.db2.gz URHRNXJFGYOIFJ-HOCLYGCPSA-N 0 0 459.461 4.550 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC[C@H]([C@@H](O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC001450605726 1067094575 /nfs/dbraw/zinc/09/45/75/1067094575.db2.gz LKHQZFINPXNFAX-UGKGYDQZSA-N 0 0 456.384 4.621 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3Cc4ccccc4C(C)(C)C3)n2)cc(Cl)c1OC ZINC001458611215 1067094880 /nfs/dbraw/zinc/09/48/80/1067094880.db2.gz WWTVCGNEKSMJIS-UHFFFAOYSA-N 0 0 455.942 4.660 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)nnn1-c1cccc(Cl)c1 ZINC001458611177 1067094896 /nfs/dbraw/zinc/09/48/96/1067094896.db2.gz VGJCQZPSTNRDPH-UHFFFAOYSA-N 0 0 454.317 4.948 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)nc1 ZINC001458611969 1067095061 /nfs/dbraw/zinc/09/50/61/1067095061.db2.gz VRSHNSKHLOFXSN-UHFFFAOYSA-N 0 0 459.262 4.748 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc2[nH]ccc21 ZINC001450608643 1067095175 /nfs/dbraw/zinc/09/51/75/1067095175.db2.gz MWYKOTLVWPUTQG-JTQLQIEISA-N 0 0 451.704 4.776 20 0 JJADRN CCc1c(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001458612240 1067095280 /nfs/dbraw/zinc/09/52/80/1067095280.db2.gz ZXRXDPIHFSGLTG-UHFFFAOYSA-N 0 0 456.949 4.871 20 0 JJADRN CN(CC(=O)Nc1cccc(Cl)c1OCC(F)F)c1ccc(C(F)(F)F)cc1C=O ZINC001450609498 1067095415 /nfs/dbraw/zinc/09/54/15/1067095415.db2.gz NQCOUDHOCBWTOM-UHFFFAOYSA-N 0 0 450.791 4.890 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCC2(c3ccc(F)cc3Cl)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458612239 1067095412 /nfs/dbraw/zinc/09/54/12/1067095412.db2.gz ZUSDBKTVCNVTPY-XOBRGWDASA-N 0 0 453.316 4.639 20 0 JJADRN COc1nc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)cc2ccccc21 ZINC001450610971 1067095593 /nfs/dbraw/zinc/09/55/93/1067095593.db2.gz UMFGVZOBZCHGNU-IBGZPJMESA-N 0 0 452.860 4.505 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545796313 1067095926 /nfs/dbraw/zinc/09/59/26/1067095926.db2.gz ATPXCMAFEWCHIK-XMMPIXPASA-N 0 0 497.684 4.995 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450611736 1067096058 /nfs/dbraw/zinc/09/60/58/1067096058.db2.gz UEKKRYSOJMKASL-GUYCJALGSA-N 0 0 457.162 4.699 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1)OC ZINC001545796582 1067096315 /nfs/dbraw/zinc/09/63/15/1067096315.db2.gz JFXDQJPAWBPWSB-IBGZPJMESA-N 0 0 481.632 4.663 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1)SC ZINC001545796612 1067096384 /nfs/dbraw/zinc/09/63/84/1067096384.db2.gz KCTIYZAHTBDNTA-OAQYLSRUSA-N 0 0 476.662 4.765 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001546024519 1067096436 /nfs/dbraw/zinc/09/64/36/1067096436.db2.gz HYZVXHFGAFAHPM-QGZVFWFLSA-N 0 0 490.421 4.795 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545796778 1067096567 /nfs/dbraw/zinc/09/65/67/1067096567.db2.gz PEJWSHYYPWTURX-PMACEKPBSA-N 0 0 493.693 4.712 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)SC ZINC001545796643 1067096584 /nfs/dbraw/zinc/09/65/84/1067096584.db2.gz KUVBFVITGDXIHY-OAQYLSRUSA-N 0 0 489.661 4.543 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC001458619564 1067096827 /nfs/dbraw/zinc/09/68/27/1067096827.db2.gz CAHKDSXUJBIHAE-UHFFFAOYSA-N 0 0 450.348 4.987 20 0 JJADRN O=C(Cc1coc(-c2ccccc2)n1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450624784 1067097246 /nfs/dbraw/zinc/09/72/46/1067097246.db2.gz KVLWTFSLABOFHF-IBGZPJMESA-N 0 0 452.860 4.532 20 0 JJADRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 ZINC001450627684 1067097321 /nfs/dbraw/zinc/09/73/21/1067097321.db2.gz LTJIUDAUQWQSBS-IAGOWNOFSA-N 0 0 458.484 4.645 20 0 JJADRN O=C(c1cnc(Cc2ccccc2F)s1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001458619907 1067097380 /nfs/dbraw/zinc/09/73/80/1067097380.db2.gz DZRUSCAGJZWVFU-UHFFFAOYSA-N 0 0 454.567 4.963 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncccc2Cl)c1 ZINC001458623181 1067097678 /nfs/dbraw/zinc/09/76/78/1067097678.db2.gz KEMBZCWXMXHJOO-UHFFFAOYSA-N 0 0 454.310 4.605 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1)OC ZINC001545797973 1067098058 /nfs/dbraw/zinc/09/80/58/1067098058.db2.gz CTFBUAJSOXBVFP-FCHUYYIVSA-N 0 0 452.603 4.862 20 0 JJADRN CON(C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)[C@H](C)c1ccccc1C ZINC001450640204 1067098284 /nfs/dbraw/zinc/09/82/84/1067098284.db2.gz OLKWIKBPOZMCJL-OAQYLSRUSA-N 0 0 458.624 4.797 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1ccc(Cl)cc1OC(F)F ZINC001458624918 1067098128 /nfs/dbraw/zinc/09/81/28/1067098128.db2.gz FKHJADVYRBLUSM-UHFFFAOYSA-N 0 0 453.610 4.564 20 0 JJADRN CCOc1cc(C(=O)N(OC)[C@H](C)c2ccccc2C)ccc1OCC(=O)N1CCCCC1 ZINC001450638787 1067098300 /nfs/dbraw/zinc/09/83/00/1067098300.db2.gz KDZACWPGBLALQN-HXUWFJFHSA-N 0 0 454.567 4.550 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC[C@H](c3ccncc3)C2)cc1)c1cccc(Br)c1 ZINC001450645828 1067098567 /nfs/dbraw/zinc/09/85/67/1067098567.db2.gz YETYFJLILBJZIZ-IBGZPJMESA-N 0 0 450.336 4.726 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)OC ZINC001545798182 1067098690 /nfs/dbraw/zinc/09/86/90/1067098690.db2.gz GYBKAHFWLMSFLA-YADHBBJMSA-N 0 0 474.049 4.641 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3cc(C)c(-c4ccc(F)cc4)s3)CC2=O)cc1 ZINC001458629445 1067099006 /nfs/dbraw/zinc/09/90/06/1067099006.db2.gz VIORRYAWRLWYPK-UHFFFAOYSA-N 0 0 452.551 4.746 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)OC(C)(C)C1)OC ZINC001545798252 1067099108 /nfs/dbraw/zinc/09/91/08/1067099108.db2.gz IBXVTEUWSODZHB-OXJNMPFZSA-N 0 0 496.494 4.891 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1)OC ZINC001545798250 1067099182 /nfs/dbraw/zinc/09/91/82/1067099182.db2.gz IAMNAEDCSSTMSS-QFIPXVFZSA-N 0 0 477.049 4.826 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545798278 1067099250 /nfs/dbraw/zinc/09/92/50/1067099250.db2.gz IISHFKYPURBLQU-QHCPKHFHSA-N 0 0 488.698 4.897 20 0 JJADRN CCC(CC)[C@H](CCn1c(C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1)OC ZINC001545798304 1067099407 /nfs/dbraw/zinc/09/94/07/1067099407.db2.gz IZVUZLLTLIIKIS-SFTDATJTSA-N 0 0 465.436 4.768 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](COC)C1 ZINC001546024768 1067099479 /nfs/dbraw/zinc/09/94/79/1067099479.db2.gz PQIMHKLWAYYEBY-HNNXBMFYSA-N 0 0 485.854 4.775 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1C)OC ZINC001545798307 1067099658 /nfs/dbraw/zinc/09/96/58/1067099658.db2.gz JBCKVSKHGHIRJR-HNAYVOBHSA-N 0 0 452.441 4.876 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)OC ZINC001545798311 1067099673 /nfs/dbraw/zinc/09/96/73/1067099673.db2.gz JDMJXZFEVGDOFL-ORYQWCPZSA-N 0 0 484.563 4.951 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1C ZINC001450666071 1067099721 /nfs/dbraw/zinc/09/97/21/1067099721.db2.gz YSMZDPKVPIDGPH-RPBOFIJWSA-N 0 0 458.587 4.567 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001546024899 1067099844 /nfs/dbraw/zinc/09/98/44/1067099844.db2.gz UUJCGKBTUGOKSD-RBUKOAKNSA-N 0 0 478.584 4.741 20 0 JJADRN COC(=O)c1ccc2[nH]c(CNC(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)nc2c1 ZINC001450663580 1067099894 /nfs/dbraw/zinc/09/98/94/1067099894.db2.gz CKRAXDCVWHNCFT-UHFFFAOYSA-N 0 0 458.518 4.764 20 0 JJADRN Cc1ccc([C@H](CC(F)(F)F)NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001458648416 1067099932 /nfs/dbraw/zinc/09/99/32/1067099932.db2.gz DVGCUVBQDMEWIO-RDJZCZTQSA-N 0 0 455.274 4.993 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)OC ZINC001545798404 1067099977 /nfs/dbraw/zinc/09/99/77/1067099977.db2.gz KNRGQMGSQSVWDR-JTHBVZDNSA-N 0 0 480.661 4.635 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCOC(C)(C)C1)OC ZINC001545798485 1067100621 /nfs/dbraw/zinc/10/06/21/1067100621.db2.gz LRZMFEDTKWZKRO-HSZRJFAPSA-N 0 0 451.615 4.950 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cs2)CC1)OC ZINC001545798488 1067100663 /nfs/dbraw/zinc/10/06/63/1067100663.db2.gz LSACHCWWRYRDDL-HXUWFJFHSA-N 0 0 472.659 4.779 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001546024924 1067100771 /nfs/dbraw/zinc/10/07/71/1067100771.db2.gz VNPXNISEQLLWCV-LPHOPBHVSA-N 0 0 472.431 4.969 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1)OC ZINC001545798522 1067101305 /nfs/dbraw/zinc/10/13/05/1067101305.db2.gz MHCYQTQCJSRUBI-KNQAVFIVSA-N 0 0 482.467 4.882 20 0 JJADRN COC(=O)c1ccc2[nH]c(CNC(=O)[C@@H](Oc3cccc(C(C)C)c3)c3ccccc3)nc2c1 ZINC001450670777 1067101342 /nfs/dbraw/zinc/10/13/42/1067101342.db2.gz YGOZXWXNKBOEBS-VWLOTQADSA-N 0 0 457.530 4.909 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)C1 ZINC001450673585 1067101361 /nfs/dbraw/zinc/10/13/61/1067101361.db2.gz RESSTQMOPHHUJW-ZWKOTPCHSA-N 0 0 459.587 4.858 20 0 JJADRN COc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc2c1OCCO2 ZINC001458659099 1067101893 /nfs/dbraw/zinc/10/18/93/1067101893.db2.gz OLJFXZQDLMEXEL-UHFFFAOYSA-N 0 0 456.857 4.764 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3)c3c(C)noc3n2)c(C)s1 ZINC001450680399 1067101973 /nfs/dbraw/zinc/10/19/73/1067101973.db2.gz PPAXPRGPOWSXDO-AWEZNQCLSA-N 0 0 452.502 4.633 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)OC ZINC001545798861 1067102488 /nfs/dbraw/zinc/10/24/88/1067102488.db2.gz SKLCUSNZSNFJJW-SPEDKVCISA-N 0 0 494.727 4.520 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)C(C)(C)C1)OC ZINC001545798807 1067102529 /nfs/dbraw/zinc/10/25/29/1067102529.db2.gz RSORESVTKJRPII-MOPGFXCFSA-N 0 0 482.467 4.738 20 0 JJADRN CC(C)COc1cc(Nc2nc(N)nc(C(F)(F)C(F)(F)F)n2)ccc1Br ZINC001458660387 1067102600 /nfs/dbraw/zinc/10/26/00/1067102600.db2.gz BAHAVGXMPIFLHX-UHFFFAOYSA-N 0 0 456.213 4.649 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC001450684514 1067102651 /nfs/dbraw/zinc/10/26/51/1067102651.db2.gz ULGDPLNGWTXDHY-MRXNPFEDSA-N 0 0 454.523 4.506 20 0 JJADRN CCC1(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC001450683692 1067102698 /nfs/dbraw/zinc/10/26/98/1067102698.db2.gz NWIIWROAFYPXCH-UHFFFAOYSA-N 0 0 450.579 4.580 20 0 JJADRN O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450681309 1067102717 /nfs/dbraw/zinc/10/27/17/1067102717.db2.gz WKXIMCFPEZWRSF-PBBNMVCDSA-N 0 0 454.375 4.530 20 0 JJADRN Cc1cccc(Cc2cnc(NC(=O)c3cc(Br)c(C=O)n3C)s2)c1Cl ZINC001450684168 1067102722 /nfs/dbraw/zinc/10/27/22/1067102722.db2.gz FCCPNZAPXHLRLT-UHFFFAOYSA-N 0 0 452.761 4.862 20 0 JJADRN CC(C)OCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001546102623 1067103048 /nfs/dbraw/zinc/10/30/48/1067103048.db2.gz DDSUJTWKFHFXOS-UHFFFAOYSA-N 0 0 459.395 4.729 20 0 JJADRN CCN1C[C@@H](C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)c(Cl)c2)CCC3)CC1=O ZINC001458661698 1067103107 /nfs/dbraw/zinc/10/31/07/1067103107.db2.gz AXBGLIYTSUFEFV-LBPRGKRZSA-N 0 0 451.375 4.582 20 0 JJADRN O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001450688733 1067103196 /nfs/dbraw/zinc/10/31/96/1067103196.db2.gz LCTASKLPFBGAFO-WBVHZDCISA-N 0 0 453.391 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)CCCOc3ccc4c(c3)CCC4)CC2)C1 ZINC001450688674 1067103277 /nfs/dbraw/zinc/10/32/77/1067103277.db2.gz HAMONXSAGLYJFV-HSZRJFAPSA-N 0 0 456.627 4.830 20 0 JJADRN Cc1c(Br)csc1C(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450687854 1067103308 /nfs/dbraw/zinc/10/33/08/1067103308.db2.gz CJLCFQUQJXSLKI-OAHLLOKOSA-N 0 0 457.434 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3cccc(Oc4ccccn4)c3)CC2)C1 ZINC001450693237 1067104108 /nfs/dbraw/zinc/10/41/08/1067104108.db2.gz NZSMDEUNWLANQT-NRFANRHFSA-N 0 0 451.567 4.983 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1)OC ZINC001545799117 1067104216 /nfs/dbraw/zinc/10/42/16/1067104216.db2.gz 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CCC(CC)[C@H](CCn1c(Cc2ccsc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)OC ZINC001545803415 1067112674 /nfs/dbraw/zinc/11/26/74/1067112674.db2.gz NDQIAPOOMQKGHR-YADHBBJMSA-N 0 0 460.688 4.903 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCC=C(Br)C1)OC ZINC001545803329 1067112788 /nfs/dbraw/zinc/11/27/88/1067112788.db2.gz LTXUFKNIIBDKQU-HXUWFJFHSA-N 0 0 462.436 4.594 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545803304 1067112796 /nfs/dbraw/zinc/11/27/96/1067112796.db2.gz LKCXIMQETLFNJL-RBUKOAKNSA-N 0 0 455.441 4.850 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C)C1)OC ZINC001545803426 1067112804 /nfs/dbraw/zinc/11/28/04/1067112804.db2.gz NNRJOCOJACULRF-GLDPYIMESA-N 0 0 453.631 4.805 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001458709075 1067112944 /nfs/dbraw/zinc/11/29/44/1067112944.db2.gz DLESUMGFRNZOQF-UHFFFAOYSA-N 0 0 455.942 4.738 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(O)c(COC(C)C)c3)c2)c1 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O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001546028713 1067150518 /nfs/dbraw/zinc/15/05/18/1067150518.db2.gz LUFVSCZRFJCKAV-UHFFFAOYSA-N 0 0 458.358 4.968 20 0 JJADRN CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)c1ccc(Cl)cc1F ZINC001458809460 1067151316 /nfs/dbraw/zinc/15/13/16/1067151316.db2.gz KSYTZPKYOLBCDV-FQEVSTJZSA-N 0 0 458.958 4.774 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2cnnn2-c2cccc(Cl)c2Cl)c2ccncc2)c1 ZINC001458813913 1067152656 /nfs/dbraw/zinc/15/26/56/1067152656.db2.gz IDFWIWNWXDBAMX-NRFANRHFSA-N 0 0 455.301 4.924 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(CCCCc1ccccc1)c1ccccc1 ZINC001451188257 1067152713 /nfs/dbraw/zinc/15/27/13/1067152713.db2.gz CHBFUELMKXLFSQ-UHFFFAOYSA-N 0 0 452.558 4.739 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2ncccc2OCc2ccccc2)cs1 ZINC001451181126 1067152736 /nfs/dbraw/zinc/15/27/36/1067152736.db2.gz NVHCMYKBBKQOPE-OAHLLOKOSA-N 0 0 454.552 4.955 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001451194563 1067153277 /nfs/dbraw/zinc/15/32/77/1067153277.db2.gz KBGVTADFFQPZLZ-APWZRJJASA-N 0 0 460.552 4.512 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(SC(F)(F)F)nc2)cc1 ZINC001451200118 1067153822 /nfs/dbraw/zinc/15/38/22/1067153822.db2.gz SWCBPIRFUCCVLY-KRWDZBQOSA-N 0 0 454.518 4.855 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC001546029203 1067153867 /nfs/dbraw/zinc/15/38/67/1067153867.db2.gz WWZGDTWUAKTXSE-CYBMUJFWSA-N 0 0 451.976 4.544 20 0 JJADRN Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C[NH+](C)C)cc2C)ccc1F ZINC001451217940 1067154445 /nfs/dbraw/zinc/15/44/45/1067154445.db2.gz YCAZCWCXDAPZPN-UHFFFAOYSA-N 0 0 455.555 4.557 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001546029549 1067154623 /nfs/dbraw/zinc/15/46/23/1067154623.db2.gz IIGHFTYDBNZXFN-UHFFFAOYSA-N 0 0 463.626 4.879 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001458818612 1067154694 /nfs/dbraw/zinc/15/46/94/1067154694.db2.gz MEZLYBDOFTXPOZ-AUSIDOKSSA-N 0 0 451.592 4.578 20 0 JJADRN C[C@H]1CC=C(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)CC1 ZINC001451242458 1067155158 /nfs/dbraw/zinc/15/51/58/1067155158.db2.gz FNYLOVJGKAUQAW-SFHVURJKSA-N 0 0 456.631 4.977 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC([C@H](O)c4cc(F)ccc4F)CC3)c2)c1C ZINC001451248418 1067155547 /nfs/dbraw/zinc/15/55/47/1067155547.db2.gz QSABKHPXGTXICL-VWLOTQADSA-N 0 0 453.533 4.916 20 0 JJADRN COC(=O)[C@H](Sc1nnc(-c2cccc(OC)c2)n1Cc1ccco1)c1ccc(F)cc1 ZINC001458821738 1067156295 /nfs/dbraw/zinc/15/62/95/1067156295.db2.gz ZDSCTPPERKZICQ-HXUWFJFHSA-N 0 0 453.495 4.741 20 0 JJADRN CCOC(=O)CN(C)C(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C(C)C ZINC001458822338 1067156575 /nfs/dbraw/zinc/15/65/75/1067156575.db2.gz AGVBYJCRUWRBAO-UHFFFAOYSA-N 0 0 451.592 4.776 20 0 JJADRN C[S@@](=N)(=O)c1ccc(NC(=O)Cc2csc(-c3sccc3Br)n2)cc1 ZINC001451279808 1067157149 /nfs/dbraw/zinc/15/71/49/1067157149.db2.gz ZTBCIMXQXBNDPR-RUZDIDTESA-N 0 0 456.412 4.851 20 0 JJADRN C[S@](=N)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001451260042 1067157200 /nfs/dbraw/zinc/15/72/00/1067157200.db2.gz MWZRVNSLOCNTNG-MMEWPQADSA-N 0 0 454.379 4.520 20 0 JJADRN Cc1c(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cnc(Cl)c1Br ZINC001458823717 1067157161 /nfs/dbraw/zinc/15/71/61/1067157161.db2.gz KIDSSZBHMZJAJM-OAHLLOKOSA-N 0 0 452.736 4.546 20 0 JJADRN COc1cccc(C(=O)c2c3c(sc2NC(=O)c2ccc(Br)nc2)CCC3)c1 ZINC001458822901 1067157239 /nfs/dbraw/zinc/15/72/39/1067157239.db2.gz IXNISQYVFGEDED-UHFFFAOYSA-N 0 0 457.349 4.886 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 ZINC001451298420 1067158030 /nfs/dbraw/zinc/15/80/30/1067158030.db2.gz HQUJCUKSOZWJOM-VGSWGCGISA-N 0 0 450.595 4.993 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001546029957 1067158056 /nfs/dbraw/zinc/15/80/56/1067158056.db2.gz WLODHKJVSPHMRX-UHFFFAOYSA-N 0 0 478.037 4.643 20 0 JJADRN CC(C)CCC[C@H](C)n1c(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)nc2ccccc2c1=O ZINC001458825453 1067158457 /nfs/dbraw/zinc/15/84/57/1067158457.db2.gz KYJXQEUHTRGFDT-RBUKOAKNSA-N 0 0 459.656 4.902 20 0 JJADRN O=C1[C@H](Sc2nnc(-c3ccccc3Br)o2)CCN1c1c(F)cccc1F ZINC001458825193 1067158553 /nfs/dbraw/zinc/15/85/53/1067158553.db2.gz CMPCXXOYSUWYKS-CQSZACIVSA-N 0 0 452.280 4.675 20 0 JJADRN Cn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1[C@H]1COc2ccccc2O1 ZINC001458827943 1067160360 /nfs/dbraw/zinc/16/03/60/1067160360.db2.gz PASBAVLRTVGOIH-LJQANCHMSA-N 0 0 454.552 4.967 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc3ccc(C)cc3)C2)c1 ZINC001451338527 1067160462 /nfs/dbraw/zinc/16/04/62/1067160462.db2.gz GHWLVJFPXRLLMV-LSQMVHIFSA-N 0 0 451.611 4.622 20 0 JJADRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cc2c(cc1Br)OCCCO2 ZINC001458830696 1067161435 /nfs/dbraw/zinc/16/14/35/1067161435.db2.gz BSZAOLKPODFQEB-UHFFFAOYSA-N 0 0 457.107 4.713 20 0 JJADRN COc1cc(NC(=O)CCSc2nc(C3CC3)n(-c3ccccc3)n2)c(OC)cc1Cl ZINC001458832152 1067161721 /nfs/dbraw/zinc/16/17/21/1067161721.db2.gz ZLCFEAVKFLBDCE-UHFFFAOYSA-N 0 0 458.971 4.936 20 0 JJADRN CCSCc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)no1 ZINC001458832585 1067161894 /nfs/dbraw/zinc/16/18/94/1067161894.db2.gz BSWDNZHDUSIKLJ-UHFFFAOYSA-N 0 0 455.605 4.769 20 0 JJADRN Cc1cc(C2(C(=O)Nc3cccc(O[C@H]4CC(=O)N4)c3)CCCCC2)ccc1Br ZINC001451382826 1067162427 /nfs/dbraw/zinc/16/24/27/1067162427.db2.gz ZIADFWRNKKCQMK-NRFANRHFSA-N 0 0 457.368 4.823 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3ccc(C)c(C)c3Cl)c2C)c1 ZINC001458834868 1067163050 /nfs/dbraw/zinc/16/30/50/1067163050.db2.gz HIHXOUXVKXDKCU-JOCHJYFZSA-N 0 0 453.970 4.982 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Cn3cccc3)cc2)C[C@H]1c1cccc(F)c1 ZINC001451390824 1067163664 /nfs/dbraw/zinc/16/36/64/1067163664.db2.gz NDTVMINXFCLDMD-BJKOFHAPSA-N 0 0 463.553 4.808 20 0 JJADRN Cc1cc(NC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)cc(F)c1Br ZINC001451390985 1067163674 /nfs/dbraw/zinc/16/36/74/1067163674.db2.gz IXZVPMYUKRTUCY-UHFFFAOYSA-N 0 0 458.353 4.673 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451391159 1067163703 /nfs/dbraw/zinc/16/37/03/1067163703.db2.gz OAFQHNVIEVZEPR-FBAPQVDSSA-N 0 0 481.568 4.553 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001458835335 1067164216 /nfs/dbraw/zinc/16/42/16/1067164216.db2.gz NAPFMPGBRAVGLC-OCCSQVGLSA-N 0 0 453.406 4.829 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC[C@H](C(=O)NC)C2)on1 ZINC001545822284 1067164208 /nfs/dbraw/zinc/16/42/08/1067164208.db2.gz YPTFBYNCRVSYEK-JTHBVZDNSA-N 0 0 478.641 4.722 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001451395689 1067164248 /nfs/dbraw/zinc/16/42/48/1067164248.db2.gz CPGKPKDKQVWDNS-TYPHKJRUSA-N 0 0 455.599 4.621 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C[C@@H](c2ccccc2)C1 ZINC001451395847 1067164266 /nfs/dbraw/zinc/16/42/66/1067164266.db2.gz CVOCFYFHGRJBFY-AJSBUHFISA-N 0 0 456.030 4.786 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC12CCCC2 ZINC001451394754 1067164317 /nfs/dbraw/zinc/16/43/17/1067164317.db2.gz YWZPZVHYLUTOOA-NRFANRHFSA-N 0 0 453.048 4.946 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H](c2ccccc2)C1 ZINC001451395680 1067164398 /nfs/dbraw/zinc/16/43/98/1067164398.db2.gz CPGKPKDKQVWDNS-SESVDKBCSA-N 0 0 455.599 4.621 20 0 JJADRN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001458836467 1067164908 /nfs/dbraw/zinc/16/49/08/1067164908.db2.gz PQQWUBFTJONIQS-KUHUBIRLSA-N 0 0 450.482 4.905 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)on1 ZINC001545823105 1067164955 /nfs/dbraw/zinc/16/49/55/1067164955.db2.gz ARIORGICLZBUDS-QGZVFWFLSA-N 0 0 457.962 4.538 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2ccc(F)cc2)on1 ZINC001545823191 1067165056 /nfs/dbraw/zinc/16/50/56/1067165056.db2.gz DAIMALRDZZURHW-MRXNPFEDSA-N 0 0 451.550 4.955 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC001458837092 1067165436 /nfs/dbraw/zinc/16/54/36/1067165436.db2.gz JLXVNRAYVCKFCW-KPZWWZAWSA-N 0 0 459.295 4.891 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC001458837097 1067165460 /nfs/dbraw/zinc/16/54/60/1067165460.db2.gz JLXVNRAYVCKFCW-XIKOKIGWSA-N 0 0 459.295 4.891 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001451406823 1067165557 /nfs/dbraw/zinc/16/55/57/1067165557.db2.gz XLRPGQIBYOKYGS-XUEUYAKLSA-N 0 0 457.590 4.648 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001451403190 1067165682 /nfs/dbraw/zinc/16/56/82/1067165682.db2.gz QKHQPVZJHSZZSV-KKSFZXQISA-N 0 0 451.542 4.904 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)NC[C@H](O)c2ccccc2Br)cc1OC ZINC001451408261 1067166283 /nfs/dbraw/zinc/16/62/83/1067166283.db2.gz DZLQAVUTKZSOCN-KRWDZBQOSA-N 0 0 456.764 4.753 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSCc2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC001451408781 1067166362 /nfs/dbraw/zinc/16/63/62/1067166362.db2.gz ASNJSJUJOCJDKX-PZJWPPBQSA-N 0 0 462.562 4.717 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)on1 ZINC001545823358 1067166394 /nfs/dbraw/zinc/16/63/94/1067166394.db2.gz JXDNQJPZLRFSHS-GOSISDBHSA-N 0 0 497.644 4.669 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSc2nccc3ccccc32)C[C@H]1c1ccccc1F ZINC001451409005 1067166807 /nfs/dbraw/zinc/16/68/07/1067166807.db2.gz FATKUIYRKIHYOJ-RBBKRZOGSA-N 0 0 481.593 4.985 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1S[C@@H]1CCC[C@@H](OC)C1 ZINC001458839643 1067166880 /nfs/dbraw/zinc/16/68/80/1067166880.db2.gz VNPNRXBQCYULSV-QZTJIDSGSA-N 0 0 453.674 4.917 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCOC2)on1 ZINC001545823477 1067166952 /nfs/dbraw/zinc/16/69/52/1067166952.db2.gz NRQFUKNNHDAPGG-AWEZNQCLSA-N 0 0 480.432 4.934 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cc(C(F)F)ccc3F)c2C)c1 ZINC001458841195 1067167506 /nfs/dbraw/zinc/16/75/06/1067167506.db2.gz XWEWWRZRYKPNOF-OAQYLSRUSA-N 0 0 459.468 4.788 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451410921 1067167600 /nfs/dbraw/zinc/16/76/00/1067167600.db2.gz LKSOLOOAGIZWIC-QKPGQRKTSA-N 0 0 454.542 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1F ZINC001451411826 1067168103 /nfs/dbraw/zinc/16/81/03/1067168103.db2.gz NOIRQDIHMCIWEU-AZUAARDMSA-N 0 0 466.475 4.906 20 0 JJADRN CC(C)(C)c1ccncc1CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001451412006 1067168161 /nfs/dbraw/zinc/16/81/61/1067168161.db2.gz PNVJMNMTJVHHQQ-UHFFFAOYSA-N 0 0 456.637 4.518 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451411790 1067168202 /nfs/dbraw/zinc/16/82/02/1067168202.db2.gz NIIFPJDSLDFHCX-FXAWDEMLSA-N 0 0 478.511 4.836 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2cccnc2Br)COCC3)cc1 ZINC001458841239 1067168184 /nfs/dbraw/zinc/16/81/84/1067168184.db2.gz YZGKPBRFNRRLSA-UHFFFAOYSA-N 0 0 457.349 4.770 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458842161 1067168266 /nfs/dbraw/zinc/16/82/66/1067168266.db2.gz WDRQXPVTLXDSHM-UHFFFAOYSA-N 0 0 458.274 4.917 20 0 JJADRN CCN(Cc1c(O)c(C)ncc1CO)C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001451412611 1067168580 /nfs/dbraw/zinc/16/85/80/1067168580.db2.gz ONEHFKVCDGIHSR-UUYOSTAYSA-N 0 0 454.929 4.970 20 0 JJADRN Cn1cc(CNC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c(-c2ccccc2)n1 ZINC001458843285 1067168522 /nfs/dbraw/zinc/16/85/22/1067168522.db2.gz NHMMAZPQRYTNKY-AAIMPIBUSA-N 0 0 452.599 4.519 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)C(=O)C2)on1 ZINC001545824504 1067168708 /nfs/dbraw/zinc/16/87/08/1067168708.db2.gz ABLUSWXWESTKLQ-UHFFFAOYSA-N 0 0 496.631 4.795 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)on1 ZINC001545823809 1067168717 /nfs/dbraw/zinc/16/87/17/1067168717.db2.gz ZTTMVZQJECAHGN-JTSKRJEESA-N 0 0 495.628 4.629 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2nccs2)on1 ZINC001545823795 1067168799 /nfs/dbraw/zinc/16/87/99/1067168799.db2.gz ZJCGILNKNWEVPR-UHFFFAOYSA-N 0 0 452.584 4.987 20 0 JJADRN Cc1ccc(-n2ccnc2SCCNC(=O)NC(C)(C)COCc2ccccc2)cc1C ZINC001458843407 1067169252 /nfs/dbraw/zinc/16/92/52/1067169252.db2.gz IJQBTHZZLBYLOB-UHFFFAOYSA-N 0 0 452.624 4.876 20 0 JJADRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458843551 1067169274 /nfs/dbraw/zinc/16/92/74/1067169274.db2.gz ODNGJPRDGJKIPY-LSDHHAIUSA-N 0 0 450.486 4.809 20 0 JJADRN Cn1cc(CNC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c(-c2ccccc2)n1 ZINC001458843301 1067169283 /nfs/dbraw/zinc/16/92/83/1067169283.db2.gz NHMMAZPQRYTNKY-JZWVFAODSA-N 0 0 452.599 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2Br)C[C@H]1c1ccccc1F ZINC001451414093 1067169399 /nfs/dbraw/zinc/16/93/99/1067169399.db2.gz YIXXTQZFVVZFPE-GOEBONIOSA-N 0 0 469.376 4.783 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCC(N(C)C(C)=O)CC2)on1 ZINC001545824675 1067169262 /nfs/dbraw/zinc/16/92/62/1067169262.db2.gz GBYBRFDZSSVIJH-UHFFFAOYSA-N 0 0 494.640 4.553 20 0 JJADRN Cc1cc(C)c(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c(C)c1Br ZINC001451417570 1067169880 /nfs/dbraw/zinc/16/98/80/1067169880.db2.gz YGDIXBNTLYPFET-MRXNPFEDSA-N 0 0 455.190 4.942 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1F ZINC001458845746 1067169818 /nfs/dbraw/zinc/16/98/18/1067169818.db2.gz UQCZHPAQUOOVFC-DEDYPNTBSA-N 0 0 451.433 4.635 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H](C)CSc4ccc(Cl)cc43)C2=O)c1 ZINC001458845548 1067169896 /nfs/dbraw/zinc/16/98/96/1067169896.db2.gz FFSZLICOPUGSFW-MAUKXSAKSA-N 0 0 457.983 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2N)C[C@H]1c1ccccc1F ZINC001451422740 1067169992 /nfs/dbraw/zinc/16/99/92/1067169992.db2.gz XRGZMFOFRIVCTQ-QFBILLFUSA-N 0 0 467.463 4.560 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)on1 ZINC001545825002 1067170439 /nfs/dbraw/zinc/17/04/39/1067170439.db2.gz POFUKKRTPJKRFR-HXUWFJFHSA-N 0 0 499.059 4.767 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCO[C@H](Cc3ccccc3)C2)on1 ZINC001545825011 1067170527 /nfs/dbraw/zinc/17/05/27/1067170527.db2.gz PTPUVDCFQIMVME-JOCHJYFZSA-N 0 0 451.615 4.864 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)CN(CC)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451425852 1067170748 /nfs/dbraw/zinc/17/07/48/1067170748.db2.gz PSHHUXFGIYAYNL-JWQCQUIFSA-N 0 0 450.579 4.721 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545825132 1067171143 /nfs/dbraw/zinc/17/11/43/1067171143.db2.gz SZKCNEUAFKQMGV-NQIIRXRSSA-N 0 0 488.633 4.563 20 0 JJADRN COc1ncc(Br)cc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001458850139 1067171190 /nfs/dbraw/zinc/17/11/90/1067171190.db2.gz DSHAMTIILDNRDV-UHFFFAOYSA-N 0 0 453.671 4.860 20 0 JJADRN COC[C@H](CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3)OC ZINC001458848743 1067171271 /nfs/dbraw/zinc/17/12/71/1067171271.db2.gz AXMJCVWCMJJILZ-FUHWJXTLSA-N 0 0 458.649 4.579 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)on1 ZINC001545825192 1067171585 /nfs/dbraw/zinc/17/15/85/1067171585.db2.gz VSIMRAJZKNZHIB-LJQANCHMSA-N 0 0 455.525 4.718 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)nc1 ZINC001451434865 1067171863 /nfs/dbraw/zinc/17/18/63/1067171863.db2.gz XDKZJLTVUFAIMA-UHFFFAOYSA-N 0 0 457.574 4.994 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC001458849631 1067171953 /nfs/dbraw/zinc/17/19/53/1067171953.db2.gz JSDWUZOZTFCEJR-QGZVFWFLSA-N 0 0 452.477 4.655 20 0 JJADRN CCOC(=O)C(C)(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 ZINC001458851997 1067172552 /nfs/dbraw/zinc/17/25/52/1067172552.db2.gz JUDDBMXFPXOVDY-UHFFFAOYSA-N 0 0 458.967 4.598 20 0 JJADRN CNC(=O)NC1CCN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1 ZINC001451459408 1067172556 /nfs/dbraw/zinc/17/25/56/1067172556.db2.gz ZELJYMYZBLRVSL-UHFFFAOYSA-N 0 0 452.407 4.819 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC001458851288 1067172557 /nfs/dbraw/zinc/17/25/57/1067172557.db2.gz RURZFNPTPJUSSR-UHFFFAOYSA-N 0 0 452.711 4.583 20 0 JJADRN CCC(CC)c1cc(Cn2c(N(C)Cc3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)on1 ZINC001545826044 1067172682 /nfs/dbraw/zinc/17/26/82/1067172682.db2.gz DJYKHESITQTEEA-YTTGMZPUSA-N 0 0 457.644 4.889 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCN(c4ccc(F)c(OC)c4)CC3)nnc2C(C)(C)C)on1 ZINC001545826130 1067172700 /nfs/dbraw/zinc/17/27/00/1067172700.db2.gz GQFWGWCUKHXLIY-UHFFFAOYSA-N 0 0 484.620 4.990 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)c2)cc1 ZINC001451463078 1067173342 /nfs/dbraw/zinc/17/33/42/1067173342.db2.gz NFOFVQHNTXXGQP-CVDCTZTESA-N 0 0 456.608 4.751 20 0 JJADRN C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC001458852776 1067173809 /nfs/dbraw/zinc/17/38/09/1067173809.db2.gz WCGGVUSWHKBQHO-ZWKOTPCHSA-N 0 0 459.011 4.732 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H](C)c1c(C)noc1C ZINC001545826294 1067173861 /nfs/dbraw/zinc/17/38/61/1067173861.db2.gz JWWVWYXIXUNEBG-RDJZCZTQSA-N 0 0 470.593 4.942 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c3nnc(SC[C@](C)(O)C(F)F)n3c3ccccc3c2=O)cc1 ZINC001458854659 1067174241 /nfs/dbraw/zinc/17/42/41/1067174241.db2.gz NGDQIIMOGGHSMC-FATZIPQQSA-N 0 0 458.534 4.655 20 0 JJADRN Nn1c(SCc2noc(-c3ccc(F)cc3F)n2)nnc1-c1cc(Cl)ccc1Cl ZINC001458854559 1067174270 /nfs/dbraw/zinc/17/42/70/1067174270.db2.gz MIVNOZYJUQRFNR-UHFFFAOYSA-N 0 0 455.277 4.586 20 0 JJADRN CC(C)CCN(CCC(C)C)C(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC001458856068 1067175024 /nfs/dbraw/zinc/17/50/24/1067175024.db2.gz QJYHUEDPLSCSBZ-UHFFFAOYSA-N 0 0 458.459 4.979 20 0 JJADRN CCOC(=O)[C@]1(CCSc2nnc(Cc3cccs3)n2-c2ccccc2)CCCC1=O ZINC001458858366 1067175523 /nfs/dbraw/zinc/17/55/23/1067175523.db2.gz DNMVGGQSQKVUQK-QHCPKHFHSA-N 0 0 455.605 4.704 20 0 JJADRN Cc1cccc(-n2c(SCC(=O)c3c(C)c(C)cc(C)c3C)nnc2N2CCOCC2)c1 ZINC001458858186 1067175582 /nfs/dbraw/zinc/17/55/82/1067175582.db2.gz CDFITTGVHFECKE-UHFFFAOYSA-N 0 0 450.608 4.621 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001545826691 1067175802 /nfs/dbraw/zinc/17/58/02/1067175802.db2.gz RUWLIACTQGTNRU-SELNLUPBSA-N 0 0 473.637 4.984 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC[C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001451519818 1067176028 /nfs/dbraw/zinc/17/60/28/1067176028.db2.gz CECSCUGCQJZNIW-OTWHNJEPSA-N 0 0 456.656 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC1CC(C)(C)C1 ZINC001545826801 1067176234 /nfs/dbraw/zinc/17/62/34/1067176234.db2.gz UEHABIXWEQYXSR-GTOJURISSA-N 0 0 473.687 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545826757 1067176274 /nfs/dbraw/zinc/17/62/74/1067176274.db2.gz SPBMJKQHGILITJ-UZLBHIALSA-N 0 0 475.584 4.838 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@@H]1CCCO1 ZINC001458861620 1067176649 /nfs/dbraw/zinc/17/66/49/1067176649.db2.gz GDODJDHZQLQZIH-IBGZPJMESA-N 0 0 452.555 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1Cc1nnc(C(C)(C)C)s1 ZINC001545826869 1067176714 /nfs/dbraw/zinc/17/67/14/1067176714.db2.gz VVYNOAWMIYPKEO-INIZCTEOSA-N 0 0 469.659 4.591 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCC1(F)CCC1 ZINC001545826853 1067176807 /nfs/dbraw/zinc/17/68/07/1067176807.db2.gz VFIJAMHXLYRDPI-HNNXBMFYSA-N 0 0 451.537 4.954 20 0 JJADRN CN(CCCN(C)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001451524111 1067176806 /nfs/dbraw/zinc/17/68/06/1067176806.db2.gz YTDCRASOJRLCPC-OALUTQOASA-N 0 0 455.640 4.566 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC001458863296 1067177238 /nfs/dbraw/zinc/17/72/38/1067177238.db2.gz KBZQQVVNBPWREM-MRXNPFEDSA-N 0 0 453.404 4.875 20 0 JJADRN CC(C)CN(CC(F)(F)F)C(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC001458862141 1067177356 /nfs/dbraw/zinc/17/73/56/1067177356.db2.gz OIFGJLZGZJIDPK-UHFFFAOYSA-N 0 0 452.296 4.638 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001451545288 1067177771 /nfs/dbraw/zinc/17/77/71/1067177771.db2.gz DNTCZYUHFZUVPD-UHFFFAOYSA-N 0 0 452.595 4.974 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CSc2n[nH]c(-c3ccccc3O)n2)cc1 ZINC001458864501 1067177860 /nfs/dbraw/zinc/17/78/60/1067177860.db2.gz YTYXMNHAMRJIMJ-INIZCTEOSA-N 0 0 456.568 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001545828238 1067178239 /nfs/dbraw/zinc/17/82/39/1067178239.db2.gz NYZRIJBPWQVENT-LJQANCHMSA-N 0 0 486.661 4.918 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC001458865703 1067178280 /nfs/dbraw/zinc/17/82/80/1067178280.db2.gz GCPDKFITRIBAOJ-OAQYLSRUSA-N 0 0 454.571 4.582 20 0 JJADRN Cc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1Br ZINC001458865214 1067178378 /nfs/dbraw/zinc/17/83/78/1067178378.db2.gz YWLJIZCGMDRDCF-UHFFFAOYSA-N 0 0 459.413 4.526 20 0 JJADRN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001451555224 1067178472 /nfs/dbraw/zinc/17/84/72/1067178472.db2.gz KJSMNBWFRWNTJF-CQSZACIVSA-N 0 0 451.386 4.511 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001451571334 1067178498 /nfs/dbraw/zinc/17/84/98/1067178498.db2.gz CJZNGEOOYQQPAB-ROUUACIJSA-N 0 0 452.551 4.563 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)OCc3cc(Cl)ccc3Cl)n2)CCCCCC1 ZINC001458865943 1067179155 /nfs/dbraw/zinc/17/91/55/1067179155.db2.gz UJQGUIZLMDOAJH-UHFFFAOYSA-N 0 0 454.354 4.738 20 0 JJADRN COc1ccc(SCCCC(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)cc1 ZINC001458865934 1067179179 /nfs/dbraw/zinc/17/91/79/1067179179.db2.gz UDFWKGXINWXJJF-LJQANCHMSA-N 0 0 454.596 4.747 20 0 JJADRN Nn1c(COc2c(Cl)cccc2Cl)nnc1SC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001458869118 1067179605 /nfs/dbraw/zinc/17/96/05/1067179605.db2.gz VEQPDYDICSKNBS-YOEHRIQHSA-N 0 0 451.379 4.890 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001451579009 1067179812 /nfs/dbraw/zinc/17/98/12/1067179812.db2.gz VYPCJGRXWIMGMB-DLBZAZTESA-N 0 0 456.505 4.718 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001451579505 1067179825 /nfs/dbraw/zinc/17/98/25/1067179825.db2.gz JHVOKOIMUBCBGN-IRLDBZIGSA-N 0 0 471.340 4.994 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccco2)cc1 ZINC001451577926 1067179881 /nfs/dbraw/zinc/17/98/81/1067179881.db2.gz XPRKLDKIIQKPPO-LAUBAEHRSA-N 0 0 459.329 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001545829912 1067180483 /nfs/dbraw/zinc/18/04/83/1067180483.db2.gz JKQBQMHKUTVDNY-WIYYLYMNSA-N 0 0 450.631 4.935 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@@H](C)c1c(C)noc1C ZINC001545829804 1067180561 /nfs/dbraw/zinc/18/05/61/1067180561.db2.gz HBBHNNRTKNVUHK-OPAMFIHVSA-N 0 0 464.614 4.729 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001458872165 1067180721 /nfs/dbraw/zinc/18/07/21/1067180721.db2.gz GWDXZLHMZWSBSG-UHFFFAOYSA-N 0 0 452.603 4.505 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CSc1nnc(NC[C@H]2CCCO2)s1 ZINC001458871368 1067180930 /nfs/dbraw/zinc/18/09/30/1067180930.db2.gz HENFROCKQSDHQA-QGZVFWFLSA-N 0 0 450.033 4.936 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545830188 1067180898 /nfs/dbraw/zinc/18/08/98/1067180898.db2.gz OPBYSDLPHWCVOK-KVSKMBFKSA-N 0 0 495.594 4.737 20 0 JJADRN O=C(NCc1nnc(-c2ccncc2)[nH]1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC001451611946 1067181009 /nfs/dbraw/zinc/18/10/09/1067181009.db2.gz UYYLBJFLXOZQGJ-UHFFFAOYSA-N 0 0 454.317 4.683 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C(=O)CSc3nnc(NCc4ccc(F)cc4)s3)c2c1 ZINC001458873311 1067181613 /nfs/dbraw/zinc/18/16/13/1067181613.db2.gz NTHBFSDQJYINMN-UHFFFAOYSA-N 0 0 456.524 4.532 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1C[C@H]1CCN(c2ccccc2OC)C1 ZINC001545830371 1067181707 /nfs/dbraw/zinc/18/17/07/1067181707.db2.gz SSWPJEOMRWRDOF-FQEVSTJZSA-N 0 0 482.673 4.501 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001546032941 1067181839 /nfs/dbraw/zinc/18/18/39/1067181839.db2.gz JAHCFHOQWRIMIR-HXUWFJFHSA-N 0 0 450.986 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1C1CC(C(C)(C)C)C1 ZINC001545832571 1067182906 /nfs/dbraw/zinc/18/29/06/1067182906.db2.gz UECVWYSJKAOOTE-UHFFFAOYSA-N 0 0 468.646 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)c2ccccc2)n1Cc1cccc(Br)n1 ZINC001545832131 1067183039 /nfs/dbraw/zinc/18/30/39/1067183039.db2.gz HFUSLESLVWRFFM-KRWDZBQOSA-N 0 0 499.457 4.642 20 0 JJADRN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1sccc1NC(=O)c1ccncc1 ZINC001451651509 1067183106 /nfs/dbraw/zinc/18/31/06/1067183106.db2.gz CZNWQAWKONBMDI-UHFFFAOYSA-N 0 0 451.895 4.883 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc2c(c1)CCCC2 ZINC001458879312 1067184365 /nfs/dbraw/zinc/18/43/65/1067184365.db2.gz AJDODYGMZCZSRE-CABCVRRESA-N 0 0 456.015 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)cc21 ZINC001451665245 1067184665 /nfs/dbraw/zinc/18/46/65/1067184665.db2.gz QSAWOXSBTDMVLG-YTQUADARSA-N 0 0 458.990 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(C)ccc2F)n1C[C@](C)(O)C1CCCCC1 ZINC001545834106 1067184744 /nfs/dbraw/zinc/18/47/44/1067184744.db2.gz WXAWGMSUGMOPRV-SANMLTNESA-N 0 0 473.637 4.612 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001451658921 1067184766 /nfs/dbraw/zinc/18/47/66/1067184766.db2.gz GKZBOGCQZWFGGR-FZMZJTMJSA-N 0 0 458.702 4.732 20 0 JJADRN O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H](CCO)CC1 ZINC001451677367 1067185439 /nfs/dbraw/zinc/18/54/39/1067185439.db2.gz OQEDHECJRKHLSW-KRWDZBQOSA-N 0 0 458.484 4.578 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)c3ccc4c(c3)[C@@H](CNC(=O)OC(C)(C)C)CCC4)cc2C1 ZINC001458883136 1067185492 /nfs/dbraw/zinc/18/54/92/1067185492.db2.gz WYKGCPNJRBGPPR-NFBKMPQASA-N 0 0 450.579 4.997 20 0 JJADRN COc1cc(Cl)ccc1OC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001451678300 1067186368 /nfs/dbraw/zinc/18/63/68/1067186368.db2.gz JOBOIFDYGMUBJM-UHFFFAOYSA-N 0 0 453.850 4.647 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@H](C)c1nc(C)cs1 ZINC001545835220 1067186524 /nfs/dbraw/zinc/18/65/24/1067186524.db2.gz OZQMHHQBZFEDAH-ZDUSSCGKSA-N 0 0 494.587 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC1CCC(OC)CC1 ZINC001545835163 1067186581 /nfs/dbraw/zinc/18/65/81/1067186581.db2.gz NDMXTWYUXANVOD-UHFFFAOYSA-N 0 0 466.630 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)COC(c1ccccc1)c1ccccc1)CC2 ZINC001451696121 1067187021 /nfs/dbraw/zinc/18/70/21/1067187021.db2.gz AVBNYZRDDIKLHI-UHFFFAOYSA-N 0 0 450.579 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1CCc1nc2c(s1)CCCC2 ZINC001545835294 1067187231 /nfs/dbraw/zinc/18/72/31/1067187231.db2.gz RVOJDIIYPPRYRD-UHFFFAOYSA-N 0 0 486.711 4.781 20 0 JJADRN O=C(COc1ccccc1Cc1ccccc1)OCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001458887015 1067187315 /nfs/dbraw/zinc/18/73/15/1067187315.db2.gz AGOHMRHNAUIKBW-UHFFFAOYSA-N 0 0 451.885 4.773 20 0 JJADRN C[C@@H]1CCc2c(sc3ncn(Cc4cc(Br)ccc4OC(F)F)c(=O)c23)C1 ZINC001458887826 1067187373 /nfs/dbraw/zinc/18/73/73/1067187373.db2.gz LWSLTVPHTFKHHR-SNVBAGLBSA-N 0 0 455.324 4.995 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC1(c2ccccc2C)CC1 ZINC001545835427 1067187722 /nfs/dbraw/zinc/18/77/22/1067187722.db2.gz XVKCYFYFQNLWIH-UHFFFAOYSA-N 0 0 481.044 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1CCc1cccc(F)c1 ZINC001545835457 1067187748 /nfs/dbraw/zinc/18/77/48/1067187748.db2.gz YSBLAUOYEMCFIZ-UHFFFAOYSA-N 0 0 492.393 4.570 20 0 JJADRN Cc1occc1-c1nnc(SCCC(=O)NCc2ccc(F)cc2)n1Cc1ccccc1 ZINC001458890912 1067187760 /nfs/dbraw/zinc/18/77/60/1067187760.db2.gz LIVLYNZYJRIDEM-UHFFFAOYSA-N 0 0 450.539 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001545836145 1067188372 /nfs/dbraw/zinc/18/83/72/1067188372.db2.gz CZBABWRDJDCXGB-PMACEKPBSA-N 0 0 478.641 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001545836147 1067188456 /nfs/dbraw/zinc/18/84/56/1067188456.db2.gz CZBABWRDJDCXGB-VQTJNVASSA-N 0 0 478.641 4.586 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@@H]1COCc2ccccc21 ZINC001451721384 1067188534 /nfs/dbraw/zinc/18/85/34/1067188534.db2.gz GLTBJUNPKHHCNX-LJQANCHMSA-N 0 0 457.596 4.567 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](CCC(=O)OC)CC3CCCCC3)c(=O)oc2c1 ZINC001451719539 1067188541 /nfs/dbraw/zinc/18/85/41/1067188541.db2.gz DCTPFVJTKCHJDB-FQEVSTJZSA-N 0 0 456.583 4.661 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CSc3nnc(-c4cccc(Cl)c4)o3)cc2)C[C@H](C)O1 ZINC001458892454 1067188499 /nfs/dbraw/zinc/18/84/99/1067188499.db2.gz HXXLNUJXBSULLP-GASCZTMLSA-N 0 0 458.971 4.734 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001451724164 1067188591 /nfs/dbraw/zinc/18/85/91/1067188591.db2.gz JKRMZRGQKIDDHW-QZTJIDSGSA-N 0 0 452.389 4.724 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC(C)(C)C(F)(F)F ZINC001545836283 1067188901 /nfs/dbraw/zinc/18/89/01/1067188901.db2.gz IESMEUKIHLWMEZ-UHFFFAOYSA-N 0 0 461.479 4.700 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458895637 1067188937 /nfs/dbraw/zinc/18/89/37/1067188937.db2.gz SMBVCIUCXOGNMN-HHHXNRCGSA-N 0 0 452.595 4.979 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c(C)c1 ZINC001458895198 1067188945 /nfs/dbraw/zinc/18/89/45/1067188945.db2.gz RAVZLMVXLVQPGT-HSZRJFAPSA-N 0 0 456.583 4.545 20 0 JJADRN CCN(C(=O)CSc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1)C1CCCCC1 ZINC001458896720 1067188961 /nfs/dbraw/zinc/18/89/61/1067188961.db2.gz YNLYCRBFYXWMHW-KDURUIRLSA-N 0 0 459.660 4.675 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]1Cc1ccccc1Br ZINC001451733628 1067189019 /nfs/dbraw/zinc/18/90/19/1067189019.db2.gz BNSMRWXIVWSUQR-MRXNPFEDSA-N 0 0 453.174 4.693 20 0 JJADRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001458899174 1067189575 /nfs/dbraw/zinc/18/95/75/1067189575.db2.gz VYMGZEDDDMMPRJ-HXUWFJFHSA-N 0 0 452.942 4.916 20 0 JJADRN Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCC[C@H]3Cc3ccccc3Br)C2=O)c1 ZINC001451741461 1067190142 /nfs/dbraw/zinc/19/01/42/1067190142.db2.gz SZFLLLLKDPVTPJ-PZJWPPBQSA-N 0 0 455.396 4.653 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)CCNc2cc(Cl)ccc2OC)c1C ZINC001451737453 1067190231 /nfs/dbraw/zinc/19/02/31/1067190231.db2.gz XHAOKJDERRTNHK-UHFFFAOYSA-N 0 0 455.736 4.647 20 0 JJADRN C[C@@H]1[C@H](NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CCCN1C(=O)OC(C)(C)C ZINC001451737128 1067190241 /nfs/dbraw/zinc/19/02/41/1067190241.db2.gz KOBYBJBNUCFSTC-HUUCEWRRSA-N 0 0 453.605 4.637 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnc(C)s2)n1Cc1ccccc1N1CCCCC1 ZINC001545837605 1067190806 /nfs/dbraw/zinc/19/08/06/1067190806.db2.gz JYYIWWLJUOQAOR-UHFFFAOYSA-N 0 0 495.697 4.636 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545836777 1067190900 /nfs/dbraw/zinc/19/09/00/1067190900.db2.gz ZGFOBMDCZRSQIX-SFHVURJKSA-N 0 0 465.976 4.922 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1n[nH]c(C=Cc2ccccc2)n1 ZINC001458903672 1067190957 /nfs/dbraw/zinc/19/09/57/1067190957.db2.gz NUKHERQDHIGBQN-GCZGRYASSA-N 0 0 456.593 4.895 20 0 JJADRN C[C@@H]1[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCN1C(=O)OC(C)(C)C ZINC001451742079 1067190901 /nfs/dbraw/zinc/19/09/01/1067190901.db2.gz UPZMJBJCQBHOQZ-DNVCBOLYSA-N 0 0 480.030 4.822 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742500 1067190938 /nfs/dbraw/zinc/19/09/38/1067190938.db2.gz YMGZLTIHJIZNHJ-DEOSSOPVSA-N 0 0 453.558 4.596 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC001451743318 1067190969 /nfs/dbraw/zinc/19/09/69/1067190969.db2.gz ZSGSBVSNGQNQCO-BHIYHBOVSA-N 0 0 465.432 4.876 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742507 1067190994 /nfs/dbraw/zinc/19/09/94/1067190994.db2.gz YMGZLTIHJIZNHJ-XMMPIXPASA-N 0 0 453.558 4.596 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCc4cc(Br)cc(F)c43)c(=O)oc2c1 ZINC001458904238 1067191383 /nfs/dbraw/zinc/19/13/83/1067191383.db2.gz BKTSLBYUIZHQSX-UHFFFAOYSA-N 0 0 459.315 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccoc2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001545837907 1067191397 /nfs/dbraw/zinc/19/13/97/1067191397.db2.gz VJKAOQWCSYWSOG-UHFFFAOYSA-N 0 0 496.612 4.821 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001545838449 1067191433 /nfs/dbraw/zinc/19/14/33/1067191433.db2.gz OQRKDBBZYDVKPO-UHFFFAOYSA-N 0 0 459.631 4.668 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1OCc1nc2ccccc2c(C)c1C(=O)OCC ZINC001458904439 1067191461 /nfs/dbraw/zinc/19/14/61/1067191461.db2.gz WKCSOEUCQWWAKJ-UHFFFAOYSA-N 0 0 459.502 4.661 20 0 JJADRN CN(CCC1CCN(C(=O)c2cc(-c3c[nH]c4ccccc43)n[nH]2)CC1)C(=O)OC(C)(C)C 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CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1Cc1nc(C(C)(C)C)cs1 ZINC001545842224 1067195008 /nfs/dbraw/zinc/19/50/08/1067195008.db2.gz QDHZNGPAKKCNGI-UHFFFAOYSA-N 0 0 474.700 4.739 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001451861295 1067195288 /nfs/dbraw/zinc/19/52/88/1067195288.db2.gz UYQOVLSRWRQJLZ-PWHSHALESA-N 0 0 456.627 4.926 20 0 JJADRN CCN(CCOc1ccccc1C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001451869373 1067195303 /nfs/dbraw/zinc/19/53/03/1067195303.db2.gz DAWHJAWUBKDUKW-UHFFFAOYSA-N 0 0 454.473 4.772 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1 ZINC001458916632 1067195402 /nfs/dbraw/zinc/19/54/02/1067195402.db2.gz NPZCBWCRKYKMJW-UHFFFAOYSA-N 0 0 454.935 4.546 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC001545843422 1067195564 /nfs/dbraw/zinc/19/55/64/1067195564.db2.gz WRULYGRMCZWLTB-HXUWFJFHSA-N 0 0 455.308 4.623 20 0 JJADRN 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ZINC001451909663 1067197235 /nfs/dbraw/zinc/19/72/35/1067197235.db2.gz CNDPAYIONJUAIS-DHIUTWEWSA-N 0 0 479.621 4.625 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC001458919872 1067197242 /nfs/dbraw/zinc/19/72/42/1067197242.db2.gz YHWRXFYZMQWYLG-CYBMUJFWSA-N 0 0 459.395 4.534 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545845476 1067197354 /nfs/dbraw/zinc/19/73/54/1067197354.db2.gz HUTGYXWSIZXOPO-IRXDYDNUSA-N 0 0 459.660 4.631 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C[C@H]2COc3ccccc3O2)n1C1CC(C(C)(C)C)C1 ZINC001545845882 1067198010 /nfs/dbraw/zinc/19/80/10/1067198010.db2.gz VJOHEYKZJHWVKY-MNLRITNHSA-N 0 0 483.657 4.860 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545845618 1067198017 /nfs/dbraw/zinc/19/80/17/1067198017.db2.gz MJGICJYPDZABMA-LJQANCHMSA-N 0 0 483.686 4.756 20 0 JJADRN Cc1ccc2nc(COc3ccc(C(=O)NCCC(C)(C)C(=O)OC(C)(C)C)cc3)cn2c1 ZINC001451916423 1067197958 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YUUHVXPCZIFHNK-UHFFFAOYSA-N 0 0 479.654 4.826 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cl)c(I)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001451922735 1067198781 /nfs/dbraw/zinc/19/87/81/1067198781.db2.gz BICRROOGMMBAAR-QWHCGFSZSA-N 0 0 474.692 4.982 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)c1 ZINC001451918887 1067198786 /nfs/dbraw/zinc/19/87/86/1067198786.db2.gz RGASQGXFDNPMQL-SANMLTNESA-N 0 0 451.567 4.653 20 0 JJADRN CC(C)c1ccc([C@H](NC(=O)Cn2cnc3c(Br)cccc3c2=O)C(C)C)cc1 ZINC001458923541 1067198900 /nfs/dbraw/zinc/19/89/00/1067198900.db2.gz RNAMBFJFEOQDMI-OAQYLSRUSA-N 0 0 456.384 4.796 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)s1 ZINC001451928421 1067199123 /nfs/dbraw/zinc/19/91/23/1067199123.db2.gz YZVAVGWVJNIJDI-QGZVFWFLSA-N 0 0 459.959 4.655 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCc1cc2ccccc2s1 ZINC001545847250 1067199204 /nfs/dbraw/zinc/19/92/04/1067199204.db2.gz NSYIRUGSEZNPBS-KRWDZBQOSA-N 0 0 469.655 4.658 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC001451933230 1067199492 /nfs/dbraw/zinc/19/94/92/1067199492.db2.gz FWSQWIPXCAHKIL-LJQANCHMSA-N 0 0 452.473 4.581 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCN1CCc2ccccc21 ZINC001545848625 1067199999 /nfs/dbraw/zinc/19/99/99/1067199999.db2.gz DEAABXVXAKQFRQ-FQEVSTJZSA-N 0 0 466.674 4.522 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc1 ZINC001458928425 1067200070 /nfs/dbraw/zinc/20/00/70/1067200070.db2.gz HHEOYPWPRFQIQC-UHFFFAOYSA-N 0 0 450.970 4.881 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCN1CCc2ccccc21 ZINC001545848626 1067200103 /nfs/dbraw/zinc/20/01/03/1067200103.db2.gz DEAABXVXAKQFRQ-HXUWFJFHSA-N 0 0 466.674 4.522 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1)Cc1ccccc1 ZINC001458927432 1067200137 /nfs/dbraw/zinc/20/01/37/1067200137.db2.gz ZKMMWVYRJKCASX-UHFFFAOYSA-N 0 0 459.546 4.845 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001458930766 1067200664 /nfs/dbraw/zinc/20/06/64/1067200664.db2.gz ZPVNEPYNBQSIHU-UHFFFAOYSA-N 0 0 458.118 4.748 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(Cl)ccc3OC(F)F)c2)n1 ZINC001458930749 1067200488 /nfs/dbraw/zinc/20/04/88/1067200488.db2.gz LZPHWPRUFQUSIG-UHFFFAOYSA-N 0 0 452.866 4.782 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1cc(C)nc2cc(F)ccc21 ZINC001458931119 1067200557 /nfs/dbraw/zinc/20/05/57/1067200557.db2.gz NCJJEUMBVQARSI-UHFFFAOYSA-N 0 0 459.315 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1(C)C ZINC001451950935 1067200705 /nfs/dbraw/zinc/20/07/05/1067200705.db2.gz SPWURTPDDIXSIC-SJORKVTESA-N 0 0 451.405 4.679 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1Cc1ccc(OC2CCCC2)nc1 ZINC001545848699 1067200566 /nfs/dbraw/zinc/20/05/66/1067200566.db2.gz DYQFFXUWIGUQRK-GHTZIAJQSA-N 0 0 468.646 4.586 20 0 JJADRN CC[C@@]1(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001458933309 1067201107 /nfs/dbraw/zinc/20/11/07/1067201107.db2.gz RCBWIUUGLAMEEG-MHECFPHRSA-N 0 0 456.612 4.982 20 0 JJADRN O=C(NCc1nc(C(F)F)no1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001451975126 1067201897 /nfs/dbraw/zinc/20/18/97/1067201897.db2.gz RHYDOZWPHXZOIO-UHFFFAOYSA-N 0 0 456.280 4.699 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H](C)SCc1ccccc1 ZINC001458934190 1067201814 /nfs/dbraw/zinc/20/18/14/1067201814.db2.gz WJPLHFCDHXARKB-MRXNPFEDSA-N 0 0 450.398 4.663 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC1(c2ccccn2)CCC1 ZINC001545849104 1067202138 /nfs/dbraw/zinc/20/21/38/1067202138.db2.gz KGPQOVGOTLRCDB-LJQANCHMSA-N 0 0 452.647 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCn1c(C)nc2ccccc21 ZINC001545848994 1067202177 /nfs/dbraw/zinc/20/21/77/1067202177.db2.gz IRMJWKSURWMPSW-IBGZPJMESA-N 0 0 479.673 4.817 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)s3)n2CCSCCCO)C1 ZINC001546104859 1067202209 /nfs/dbraw/zinc/20/22/09/1067202209.db2.gz LQWRXGYUBUPURU-UHFFFAOYSA-N 0 0 473.506 4.901 20 0 JJADRN CC(C)[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC001458936161 1067202289 /nfs/dbraw/zinc/20/22/89/1067202289.db2.gz VGTXNBAHKRLDOZ-FQEVSTJZSA-N 0 0 459.955 4.767 20 0 JJADRN Cc1ccc(SCCNC(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)cc1 ZINC001458937413 1067202885 /nfs/dbraw/zinc/20/28/85/1067202885.db2.gz WVSVEDQAWWASPY-UHFFFAOYSA-N 0 0 451.976 4.762 20 0 JJADRN CCOc1ccccc1NC(=O)[C@@H](Sc1nncn1CCc1ccccn1)c1ccccc1 ZINC001458937298 1067202974 /nfs/dbraw/zinc/20/29/74/1067202974.db2.gz VLARTJILKZQKIJ-QHCPKHFHSA-N 0 0 459.575 4.787 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001452011916 1067203019 /nfs/dbraw/zinc/20/30/19/1067203019.db2.gz OTAYLFDZBXHSNQ-XNAIMREJSA-N 0 0 459.167 4.858 20 0 JJADRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001452011922 1067203065 /nfs/dbraw/zinc/20/30/65/1067203065.db2.gz PBPKJCSGCJNSHA-GDBMZVCRSA-N 0 0 464.665 4.949 20 0 JJADRN CCc1cccc(CC)c1-n1ccnc1SCC(=O)NCc1ccc(NC(=O)OC)cc1 ZINC001458939656 1067203402 /nfs/dbraw/zinc/20/34/02/1067203402.db2.gz GQLOKGKWABPDAH-UHFFFAOYSA-N 0 0 452.580 4.584 20 0 JJADRN Cc1cc(OCCN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)ccc1C(C)C ZINC001458937935 1067203472 /nfs/dbraw/zinc/20/34/72/1067203472.db2.gz CKCRGNKUNUBXRO-HXUWFJFHSA-N 0 0 451.386 4.788 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCC(=O)NC2CC2)C1 ZINC001546104972 1067203480 /nfs/dbraw/zinc/20/34/80/1067203480.db2.gz PJNASWHYYQZKFY-UHFFFAOYSA-N 0 0 474.447 4.783 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001545849512 1067203637 /nfs/dbraw/zinc/20/36/37/1067203637.db2.gz PRIGCMRRYXJZNU-LQWHRVPQSA-N 0 0 479.629 4.675 20 0 JJADRN Cc1cc(C(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c2cnn(C(C)C)c2n1 ZINC001452017747 1067203647 /nfs/dbraw/zinc/20/36/47/1067203647.db2.gz QHCYFVWRDACPEU-SFHVURJKSA-N 0 0 455.603 4.572 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001452014344 1067203779 /nfs/dbraw/zinc/20/37/79/1067203779.db2.gz KLFNAZSGYVRECK-LVCYWYKZSA-N 0 0 455.599 4.533 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)n1CCc1c(C)noc1C ZINC001545849653 1067203702 /nfs/dbraw/zinc/20/37/02/1067203702.db2.gz RYXIVBPWFXULLL-XDHUDOTRSA-N 0 0 494.640 4.640 20 0 JJADRN COc1ccc(OCCS[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC001458940467 1067203783 /nfs/dbraw/zinc/20/37/83/1067203783.db2.gz ZCFSUGXFFUUHSI-XMMPIXPASA-N 0 0 451.544 4.594 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccccc1OCC1CC1 ZINC001545849745 1067204143 /nfs/dbraw/zinc/20/41/43/1067204143.db2.gz TZZXBBYUJJJSSG-OALUTQOASA-N 0 0 453.631 4.516 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001452026967 1067204234 /nfs/dbraw/zinc/20/42/34/1067204234.db2.gz KIYMNBGHARKPCI-HSZRJFAPSA-N 0 0 452.576 4.680 20 0 JJADRN Cc1ccc(SCCN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)cc1C ZINC001458945042 1067204264 /nfs/dbraw/zinc/20/42/64/1067204264.db2.gz VEQHCQQQRYCPCJ-FQEVSTJZSA-N 0 0 451.361 4.764 20 0 JJADRN O=C1[C@H](Sc2nnc(Cc3cccc(F)c3)o2)CCN1c1cccc(OC(F)(F)F)c1 ZINC001458945099 1067204423 /nfs/dbraw/zinc/20/44/23/1067204423.db2.gz VICXRIZBLOAALC-MRXNPFEDSA-N 0 0 453.417 4.596 20 0 JJADRN O=C(NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCCN1Cc1ccccc1 ZINC001452030993 1067204835 /nfs/dbraw/zinc/20/48/35/1067204835.db2.gz RQYGXCYEWQRKLJ-CQSZACIVSA-N 0 0 459.281 4.676 20 0 JJADRN CCCc1c(NC(=O)c2cc(Br)cc(C(=O)OC)c2)cnn1-c1ccccc1C ZINC001458946827 1067204947 /nfs/dbraw/zinc/20/49/47/1067204947.db2.gz RUMDAKCXOZIRBE-UHFFFAOYSA-N 0 0 456.340 4.935 20 0 JJADRN CCN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001452054099 1067205242 /nfs/dbraw/zinc/20/52/42/1067205242.db2.gz SSKVMXNJUGJOHF-UHFFFAOYSA-N 0 0 455.908 4.770 20 0 JJADRN CC(C)Cc1ccc([C@]2(C)NC(=O)N(Cc3noc(-c4c(F)cccc4Cl)n3)C2=O)cc1 ZINC001458947119 1067205397 /nfs/dbraw/zinc/20/53/97/1067205397.db2.gz WTSJHZLDCDMHGU-QHCPKHFHSA-N 0 0 456.905 4.695 20 0 JJADRN Cc1ccc(-c2nnc(SCCNC(=O)NC(C)(C)COCc3ccccc3)o2)c(C)c1 ZINC001458948952 1067205840 /nfs/dbraw/zinc/20/58/40/1067205840.db2.gz NZBKDZFJBWEFMI-UHFFFAOYSA-N 0 0 454.596 4.740 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001458949996 1067205898 /nfs/dbraw/zinc/20/58/98/1067205898.db2.gz YCNTVKGRXLPPET-UHFFFAOYSA-N 0 0 457.365 4.560 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)CC2)s1 ZINC001458950923 1067206396 /nfs/dbraw/zinc/20/63/96/1067206396.db2.gz KMSZMCCLMLSZRF-QZTJIDSGSA-N 0 0 455.624 4.640 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001452093625 1067206511 /nfs/dbraw/zinc/20/65/11/1067206511.db2.gz KFKWBPMNFKACGC-INIZCTEOSA-N 0 0 455.393 4.517 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001452093627 1067206553 /nfs/dbraw/zinc/20/65/53/1067206553.db2.gz KFKWBPMNFKACGC-MRXNPFEDSA-N 0 0 455.393 4.517 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccnc2Nc2ccccc2F)cc1 ZINC001452102185 1067207567 /nfs/dbraw/zinc/20/75/67/1067207567.db2.gz NJSITLMPNXFTIA-UHFFFAOYSA-N 0 0 450.514 4.919 20 0 JJADRN Cc1ccc(C)c(CSCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001458958497 1067209008 /nfs/dbraw/zinc/20/90/08/1067209008.db2.gz PTMFPYFFMSYPGO-UHFFFAOYSA-N 0 0 457.949 4.953 20 0 JJADRN CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458959352 1067209044 /nfs/dbraw/zinc/20/90/44/1067209044.db2.gz GDJGOJSQJGAZJM-HNNXBMFYSA-N 0 0 454.876 4.591 20 0 JJADRN C=CC(=O)N1CCC(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)(c2ccccc2)CC1 ZINC001452142517 1067209352 /nfs/dbraw/zinc/20/93/52/1067209352.db2.gz GGRHFYUZLBQBCU-UHFFFAOYSA-N 0 0 452.967 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001452144206 1067209560 /nfs/dbraw/zinc/20/95/60/1067209560.db2.gz IPXPKHPIPDWQOK-UHFFFAOYSA-N 0 0 457.943 4.803 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1(COC)CC1 ZINC001452150450 1067209958 /nfs/dbraw/zinc/20/99/58/1067209958.db2.gz VVJRSNLOWZFCOS-AREMUKBSSA-N 0 0 450.579 4.627 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001458962046 1067209984 /nfs/dbraw/zinc/20/99/84/1067209984.db2.gz VHUBNZPAQKTGHY-UHFFFAOYSA-N 0 0 452.473 4.881 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC001458961573 1067210004 /nfs/dbraw/zinc/21/00/04/1067210004.db2.gz TYACJBIDQRNZHP-UHFFFAOYSA-N 0 0 454.836 4.505 20 0 JJADRN Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 ZINC001452153451 1067210460 /nfs/dbraw/zinc/21/04/60/1067210460.db2.gz WNLKYHCAFFUSKJ-UHFFFAOYSA-N 0 0 458.381 4.658 20 0 JJADRN Cc1cc([C@H](CC(=O)Nc2nccn2-c2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001458963264 1067210577 /nfs/dbraw/zinc/21/05/77/1067210577.db2.gz ZRJHZURMWQCMLS-SFHVURJKSA-N 0 0 455.946 4.824 20 0 JJADRN CC(C)[C@@](C)(NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001458964018 1067210955 /nfs/dbraw/zinc/21/09/55/1067210955.db2.gz KYQOJVFJEOHSKX-NFBKMPQASA-N 0 0 459.384 4.868 20 0 JJADRN C[C@@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001458964413 1067211018 /nfs/dbraw/zinc/21/10/18/1067211018.db2.gz SDKLSEHMULOGBY-MRXNPFEDSA-N 0 0 452.605 4.994 20 0 JJADRN CSc1cc(F)ccc1NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001452154138 1067210990 /nfs/dbraw/zinc/21/09/90/1067210990.db2.gz WQAIPMYHIRRADT-SFHVURJKSA-N 0 0 459.543 4.578 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(C(=O)NCc3ccccc3)cc1)O2 ZINC001452160098 1067211017 /nfs/dbraw/zinc/21/10/17/1067211017.db2.gz CTQOWPWPSQVTQC-NDEPHWFRSA-N 0 0 458.558 4.970 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c2ccccc2)cc1 ZINC001452155607 1067211059 /nfs/dbraw/zinc/21/10/59/1067211059.db2.gz KFOJKEFDIXXSIL-VWLOTQADSA-N 0 0 452.620 4.784 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 ZINC001452167590 1067211580 /nfs/dbraw/zinc/21/15/80/1067211580.db2.gz ZPFLQEJKWCOMOZ-IRXDYDNUSA-N 0 0 454.571 4.580 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452172669 1067211647 /nfs/dbraw/zinc/21/16/47/1067211647.db2.gz AKDHPHXLMYIZLA-MRXNPFEDSA-N 0 0 450.226 4.649 20 0 JJADRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)[C@@H]1CCc2cc(Br)ccc21 ZINC001452179243 1067212563 /nfs/dbraw/zinc/21/25/63/1067212563.db2.gz MCLCKHFHHNPGGC-MSOLQXFVSA-N 0 0 458.274 4.617 20 0 JJADRN Cc1ccc(CN(CC2CC2)C(=O)c2cc(Br)cc(Br)c2N)cn1 ZINC001452181713 1067212579 /nfs/dbraw/zinc/21/25/79/1067212579.db2.gz PZVNMOGOYFFLKZ-UHFFFAOYSA-N 0 0 453.178 4.550 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)ccn1 ZINC001452189595 1067213216 /nfs/dbraw/zinc/21/32/16/1067213216.db2.gz KOURSDYDWIXINR-MRXNPFEDSA-N 0 0 454.958 4.528 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(CO)cc1 ZINC001452197920 1067213779 /nfs/dbraw/zinc/21/37/79/1067213779.db2.gz AWUBDWQSZMBFNO-MUUNZHRXSA-N 0 0 458.558 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCc1cc(Cl)ccc1Br)C2 ZINC001452207173 1067214359 /nfs/dbraw/zinc/21/43/59/1067214359.db2.gz VHLJEAOMYQSQCE-UHFFFAOYSA-N 0 0 457.796 4.898 20 0 JJADRN C[C@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC001458975562 1067214847 /nfs/dbraw/zinc/21/48/47/1067214847.db2.gz DJCNUWZTYNEJCH-HOTGVXAUSA-N 0 0 451.983 4.886 20 0 JJADRN C[C@H](C[C@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001452225065 1067214785 /nfs/dbraw/zinc/21/47/85/1067214785.db2.gz HTSYNGWBDPNRAK-YCRNBWNJSA-N 0 0 450.583 4.802 20 0 JJADRN C[C@H](C[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001452225040 1067214853 /nfs/dbraw/zinc/21/48/53/1067214853.db2.gz HTSYNGWBDPNRAK-PWHSHALESA-N 0 0 450.583 4.802 20 0 JJADRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001458978129 1067215589 /nfs/dbraw/zinc/21/55/89/1067215589.db2.gz ZZQYCPRUNOWIDK-SFHVURJKSA-N 0 0 454.452 4.653 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001452236987 1067215602 /nfs/dbraw/zinc/21/56/02/1067215602.db2.gz MVZLYRLEJSMMCV-RBUKOAKNSA-N 0 0 456.631 4.597 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458980119 1067216677 /nfs/dbraw/zinc/21/66/77/1067216677.db2.gz XPUKGMCGUALUSH-NHCUHLMSSA-N 0 0 452.636 4.726 20 0 JJADRN O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)c(Br)c1 ZINC001458980388 1067216721 /nfs/dbraw/zinc/21/67/21/1067216721.db2.gz HJCHGPTYQSVKSB-UHFFFAOYSA-N 0 0 450.123 4.700 20 0 JJADRN CSc1nc(C2CC2)nc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452265084 1067216806 /nfs/dbraw/zinc/21/68/06/1067216806.db2.gz CVSLINLPWRXYLE-RBUKOAKNSA-N 0 0 453.608 4.582 20 0 JJADRN COCc1csc(C(=O)OCc2ccc(I)c(C(F)(F)F)c2)c1 ZINC001458980015 1067216765 /nfs/dbraw/zinc/21/67/65/1067216765.db2.gz IYARTEIJAVGGIP-UHFFFAOYSA-N 0 0 456.223 4.875 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H]1c1ccccc1 ZINC001452264212 1067216855 /nfs/dbraw/zinc/21/68/55/1067216855.db2.gz ADPUJTRADSKMND-FCHUYYIVSA-N 0 0 465.981 4.782 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001452269669 1067217133 /nfs/dbraw/zinc/21/71/33/1067217133.db2.gz WYHRJYVPBDGIMO-BJKOFHAPSA-N 0 0 451.563 4.632 20 0 JJADRN COc1cc(C)ccc1C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458981097 1067217241 /nfs/dbraw/zinc/21/72/41/1067217241.db2.gz LIWMXYDXYAGSCJ-UHFFFAOYSA-N 0 0 450.194 4.984 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)cc2nc1CC ZINC001452270152 1067217270 /nfs/dbraw/zinc/21/72/70/1067217270.db2.gz LIXSRISLTUTGST-LEWJYISDSA-N 0 0 459.590 4.952 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001452267470 1067217307 /nfs/dbraw/zinc/21/73/07/1067217307.db2.gz JBCFCYSHLIEADY-BJKOFHAPSA-N 0 0 477.605 4.514 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cnn1C1CCCC1 ZINC001452272853 1067217346 /nfs/dbraw/zinc/21/73/46/1067217346.db2.gz GHYHILNCJLQGAP-FQEVSTJZSA-N 0 0 454.590 4.649 20 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ZINC001452288510 1067218887 /nfs/dbraw/zinc/21/88/87/1067218887.db2.gz JOFVRHGUKMSUOD-KUHUBIRLSA-N 0 0 465.402 4.975 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)C1)NCc1ccc(F)cc1 ZINC001452287062 1067218909 /nfs/dbraw/zinc/21/89/09/1067218909.db2.gz HLXCYYKXBFHTRV-RDGATRHJSA-N 0 0 451.586 4.515 20 0 JJADRN Cc1ccc(-c2nnc(SCCC(=O)NCc3ccc(F)cc3)n2Cc2ccco2)cc1 ZINC001458984414 1067219131 /nfs/dbraw/zinc/21/91/31/1067219131.db2.gz IMLXLIHDICZKHT-UHFFFAOYSA-N 0 0 450.539 4.833 20 0 JJADRN O=C(C[C@H]1CCCN(C(=O)CCc2cccc(C(F)(F)F)c2)C1)NCc1ccc(F)cc1 ZINC001452293998 1067219348 /nfs/dbraw/zinc/21/93/48/1067219348.db2.gz YLXGFEJEUNEYQD-LJQANCHMSA-N 0 0 450.476 4.722 20 0 JJADRN Cc1ccc([C@H](O)[C@H](C)NC(=O)CCCCc2ccc(I)cc2)cc1 ZINC001452306587 1067219419 /nfs/dbraw/zinc/21/94/19/1067219419.db2.gz FJVPGMYCQMINDX-HRAATJIYSA-N 0 0 451.348 4.551 20 0 JJADRN CC[C@H](CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC001452322853 1067219896 /nfs/dbraw/zinc/21/98/96/1067219896.db2.gz ISDYJGIMQSTCKP-GGAORHGYSA-N 0 0 453.579 4.839 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001546104929 1067220045 /nfs/dbraw/zinc/22/00/45/1067220045.db2.gz NXWMDSMODFYPCR-SANMLTNESA-N 0 0 472.678 4.544 20 0 JJADRN CCn1c(SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccccn1 ZINC001458986231 1067220152 /nfs/dbraw/zinc/22/01/52/1067220152.db2.gz RSVBOWNFIWUABY-KRWDZBQOSA-N 0 0 457.575 4.900 20 0 JJADRN COc1ccc(C(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)c(OCCOC(C)C)c1 ZINC001452339082 1067220247 /nfs/dbraw/zinc/22/02/47/1067220247.db2.gz OIORPLVQULDHFR-UHFFFAOYSA-N 0 0 459.930 4.803 20 0 JJADRN CCn1c(SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1-c1cccnc1 ZINC001458987107 1067220610 /nfs/dbraw/zinc/22/06/10/1067220610.db2.gz VTURFRJZHWMIPU-GOSISDBHSA-N 0 0 457.575 4.900 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1OCC ZINC001452383812 1067220676 /nfs/dbraw/zinc/22/06/76/1067220676.db2.gz FSQFDFIGQZVKGR-MXVIHJGJSA-N 0 0 454.567 4.550 20 0 JJADRN Cc1ccc(CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)cc1Br ZINC001458987327 1067220755 /nfs/dbraw/zinc/22/07/55/1067220755.db2.gz WQHOBNFKWJIWRN-UHFFFAOYSA-N 0 0 459.348 4.551 20 0 JJADRN CCc1c(NC(=O)[C@@H](CC)Cc2ccccc2Br)nnn1Cc1ccc(F)cc1 ZINC001458988845 1067221113 /nfs/dbraw/zinc/22/11/13/1067221113.db2.gz IDSJDUOWRCMKMX-INIZCTEOSA-N 0 0 459.363 4.998 20 0 JJADRN Cc1ccc(-n2c(SCc3csc(CC(=O)N(C)C)n3)nnc2-c2cccs2)cc1 ZINC001458987810 1067221196 /nfs/dbraw/zinc/22/11/96/1067221196.db2.gz ZLZFOBIRTUNGLZ-UHFFFAOYSA-N 0 0 455.634 4.684 20 0 JJADRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2N)c1 ZINC001458987755 1067221208 /nfs/dbraw/zinc/22/12/08/1067221208.db2.gz JXNHGPLSMZMXRS-QWHCGFSZSA-N 0 0 450.395 4.632 20 0 JJADRN CCn1c(SCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)nnc1-c1ccccn1 ZINC001458990704 1067221559 /nfs/dbraw/zinc/22/15/59/1067221559.db2.gz DSXBMXWXIRYHMA-UHFFFAOYSA-N 0 0 451.640 4.725 20 0 JJADRN COc1cc(/C=C/C(=O)NC[C@H]2CCC3(CCCCC3)O2)ccc1OCc1c(C)noc1C ZINC001458989923 1067221750 /nfs/dbraw/zinc/22/17/50/1067221750.db2.gz OKQMYWFNCAFUJV-ZQAUEJBPSA-N 0 0 454.567 4.890 20 0 JJADRN Cc1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)nc(C)n1 ZINC001458991811 1067222045 /nfs/dbraw/zinc/22/20/45/1067222045.db2.gz CLIQMFHLIRWGDD-UHFFFAOYSA-N 0 0 453.365 4.847 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ncco1)c1c(F)cccc1F ZINC001452415526 1067222824 /nfs/dbraw/zinc/22/28/24/1067222824.db2.gz CASKMLIIBJZSKD-ICSRJNTNSA-N 0 0 457.477 4.619 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccnn1C ZINC001458993133 1067222940 /nfs/dbraw/zinc/22/29/40/1067222940.db2.gz LAHYZKPFDIZBGV-PGRDOPGGSA-N 0 0 456.384 4.859 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 ZINC001452429936 1067223400 /nfs/dbraw/zinc/22/34/00/1067223400.db2.gz DYUPVSZGQFZWNF-PKTZIBPZSA-N 0 0 450.604 4.654 20 0 JJADRN CCC(=O)c1ccc(OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)c(F)c1 ZINC001458995339 1067223747 /nfs/dbraw/zinc/22/37/47/1067223747.db2.gz DAKKQNYMQVDLRR-IBGZPJMESA-N 0 0 451.494 4.938 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)CCO2 ZINC001458997333 1067224395 /nfs/dbraw/zinc/22/43/95/1067224395.db2.gz HMSLHZFPILHJNR-QHCPKHFHSA-N 0 0 453.441 4.687 20 0 JJADRN C[C@H](C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1ccc(Br)s1 ZINC001452440156 1067224441 /nfs/dbraw/zinc/22/44/41/1067224441.db2.gz VIKURZGZYLKBNX-ZDUSSCGKSA-N 0 0 456.369 4.888 20 0 JJADRN CCCn1nccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001458996006 1067224430 /nfs/dbraw/zinc/22/44/30/1067224430.db2.gz KMTLBLBZVXCTLT-UHFFFAOYSA-N 0 0 456.959 4.577 20 0 JJADRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2cccc(Br)c2C1 ZINC001452452571 1067224725 /nfs/dbraw/zinc/22/47/25/1067224725.db2.gz JSOVZQHIISFNKN-KGLIPLIRSA-N 0 0 456.258 4.872 20 0 JJADRN Cc1c(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)nnn1Cc1ccccc1F ZINC001458997975 1067224730 /nfs/dbraw/zinc/22/47/30/1067224730.db2.gz KPYDBJZTRRSZTC-UHFFFAOYSA-N 0 0 458.497 4.979 20 0 JJADRN CCC(C)(C)NC(=O)[C@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)C(C)C ZINC001458999058 1067225376 /nfs/dbraw/zinc/22/53/76/1067225376.db2.gz KCODECXZLUVOJB-HXUWFJFHSA-N 0 0 453.612 4.759 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N1CCOc2cccc(Br)c2C1 ZINC001452456361 1067225319 /nfs/dbraw/zinc/22/53/19/1067225319.db2.gz XGBZNJHOHAMTTB-UHFFFAOYSA-N 0 0 459.565 4.829 20 0 JJADRN C[C@H](NC(=O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)c(Cl)c1 ZINC001458999550 1067225812 /nfs/dbraw/zinc/22/58/12/1067225812.db2.gz OZMFVYVXUNEINE-JTQLQIEISA-N 0 0 459.164 4.755 20 0 JJADRN O=C(CNC(=O)c1nn(-c2ccccc2)cc1Br)c1c(Cl)cccc1Cl ZINC001452472700 1067226240 /nfs/dbraw/zinc/22/62/40/1067226240.db2.gz TWIRODIWUFLPIX-UHFFFAOYSA-N 0 0 453.123 4.554 20 0 JJADRN NC(=O)c1ccc(OCC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)cc1 ZINC001459003875 1067227614 /nfs/dbraw/zinc/22/76/14/1067227614.db2.gz HIMPHRJGCKMSOR-UHFFFAOYSA-N 0 0 453.907 4.858 20 0 JJADRN CC(C)C[C@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)CC(=O)O[C@H]1CCOC1 ZINC001452491959 1067227681 /nfs/dbraw/zinc/22/76/81/1067227681.db2.gz HXYGBBPOQXKBTI-IRXDYDNUSA-N 0 0 456.410 4.916 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459005195 1067227697 /nfs/dbraw/zinc/22/76/97/1067227697.db2.gz MWWUAYGMVPZZLH-CQSZACIVSA-N 0 0 454.311 4.702 20 0 JJADRN Nn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccc(Br)cc1 ZINC001459004204 1067227786 /nfs/dbraw/zinc/22/77/86/1067227786.db2.gz WNPZGFPUMVKLPV-UHFFFAOYSA-N 0 0 459.291 4.655 20 0 JJADRN C[C@@H](OCc1ccc(F)cc1)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459007094 1067228131 /nfs/dbraw/zinc/22/81/31/1067228131.db2.gz ZUIYISPVBAWWPK-MRXNPFEDSA-N 0 0 450.348 4.701 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C(C)=O)c3)ccc2C)cc1 ZINC001452494734 1067228253 /nfs/dbraw/zinc/22/82/53/1067228253.db2.gz QGVXPZKHOFCNKN-UHFFFAOYSA-N 0 0 452.532 4.568 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452496869 1067228593 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ZVUGIMNIZUKPLP-CYBMUJFWSA-N 0 0 458.200 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCc1nc(-c2ccccn2)cs1 ZINC001452504148 1067230014 /nfs/dbraw/zinc/23/00/14/1067230014.db2.gz WBMZDPHNRUPLFK-FIKGOQFSSA-N 0 0 456.612 4.637 20 0 JJADRN CCC(O)(CC)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001546039485 1067230107 /nfs/dbraw/zinc/23/01/07/1067230107.db2.gz ARMFWJPQIIKZEG-OFNKIYASSA-N 0 0 491.076 4.808 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc(C(F)(F)F)cc(Br)c1=O ZINC001459018990 1067230229 /nfs/dbraw/zinc/23/02/29/1067230229.db2.gz LWOUUPFDIKOKCI-SNVBAGLBSA-N 0 0 451.670 4.503 20 0 JJADRN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001452518128 1067230449 /nfs/dbraw/zinc/23/04/49/1067230449.db2.gz BVBJWSCGXNIQAS-KXBFYZLASA-N 0 0 461.459 4.500 20 0 JJADRN COC(=O)c1ccc(CNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001459022720 1067230714 /nfs/dbraw/zinc/23/07/14/1067230714.db2.gz CCNOWGYSXOBBOQ-FMIVXFBMSA-N 0 0 456.258 4.974 20 0 JJADRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001452520406 1067230990 /nfs/dbraw/zinc/23/09/90/1067230990.db2.gz UEWWSBAOCJLSHX-MZNJEOGPSA-N 0 0 452.913 4.943 20 0 JJADRN O=C(COc1ccc(Br)cc1)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452523546 1067231142 /nfs/dbraw/zinc/23/11/42/1067231142.db2.gz YLEPKPXSGIPXTJ-UHFFFAOYSA-N 0 0 457.147 4.681 20 0 JJADRN CC1(C)Cc2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)sc2-c2ccccc21 ZINC001452520118 1067231189 /nfs/dbraw/zinc/23/11/89/1067231189.db2.gz ZSFVZERCNGAODW-CQSZACIVSA-N 0 0 450.526 4.780 20 0 JJADRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452527952 1067231539 /nfs/dbraw/zinc/23/15/39/1067231539.db2.gz QIIXXXXEAQMWLF-YPAWHYETSA-N 0 0 452.492 4.643 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452527950 1067231558 /nfs/dbraw/zinc/23/15/58/1067231558.db2.gz QIIXXXXEAQMWLF-FDFHNCONSA-N 0 0 452.492 4.643 20 0 JJADRN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001452529408 1067231979 /nfs/dbraw/zinc/23/19/79/1067231979.db2.gz YACJZELQUURVBC-JTQLQIEISA-N 0 0 455.363 4.866 20 0 JJADRN CCCCOc1ccc(CNC(=O)c2csc(I)n2)cc1Cl ZINC001459028081 1067232167 /nfs/dbraw/zinc/23/21/67/1067232167.db2.gz HXRDXFAHVLULHC-UHFFFAOYSA-N 0 0 450.729 4.510 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c(C(C)C)n1 ZINC001546105686 1067232743 /nfs/dbraw/zinc/23/27/43/1067232743.db2.gz SBQJIUWRKIZTBR-UHFFFAOYSA-N 0 0 459.955 4.926 20 0 JJADRN CCN(CC)Cc1csc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)n1 ZINC001452541606 1067233226 /nfs/dbraw/zinc/23/32/26/1067233226.db2.gz DLAVKDDZXFRBPT-QGZVFWFLSA-N 0 0 453.008 4.843 20 0 JJADRN C[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1)c1cccs1 ZINC001459030939 1067233858 /nfs/dbraw/zinc/23/38/58/1067233858.db2.gz HSSBVFFDDFKRHC-LBPRGKRZSA-N 0 0 454.367 4.569 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001459030756 1067233912 /nfs/dbraw/zinc/23/39/12/1067233912.db2.gz QBYAVSXKRKTDIQ-ZDUSSCGKSA-N 0 0 453.360 4.912 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C12CCC2 ZINC001452568328 1067234623 /nfs/dbraw/zinc/23/46/23/1067234623.db2.gz OMHYEKBGIYYMKF-JKSUJKDBSA-N 0 0 457.796 4.597 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2cc3c(ccc4ccccc34)o2)c1 ZINC001546105760 1067234880 /nfs/dbraw/zinc/23/48/80/1067234880.db2.gz VHFLEUSRYVFXCM-UHFFFAOYSA-N 0 0 452.532 4.503 20 0 JJADRN CC(C)[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1(CO)CC=CC1 ZINC001452565959 1067234810 /nfs/dbraw/zinc/23/48/10/1067234810.db2.gz PWYSDRBKIUAXBQ-NRFANRHFSA-N 0 0 453.633 4.920 20 0 JJADRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459036325 1067235744 /nfs/dbraw/zinc/23/57/44/1067235744.db2.gz PHLHELVHQIEZFJ-QGZVFWFLSA-N 0 0 452.904 4.845 20 0 JJADRN O=C(COc1cc(Cl)c(Br)cc1Cl)Nc1cccc(N2CCCC2=O)c1 ZINC001459036816 1067235787 /nfs/dbraw/zinc/23/57/87/1067235787.db2.gz KSAARYXPDBWMOP-UHFFFAOYSA-N 0 0 458.139 4.900 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC001546105789 1067236259 /nfs/dbraw/zinc/23/62/59/1067236259.db2.gz WHMJZXVXJWLDHC-HSZRJFAPSA-N 0 0 452.599 4.784 20 0 JJADRN CC[C@H](O)[C@H]1CCCCN1C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001452604984 1067236315 /nfs/dbraw/zinc/23/63/15/1067236315.db2.gz RMELPBIROHZHBM-MJGOQNOKSA-N 0 0 455.908 4.799 20 0 JJADRN CCOC(C)(C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001459040439 1067236762 /nfs/dbraw/zinc/23/67/62/1067236762.db2.gz ZCLRWIPDSSMMOG-UHFFFAOYSA-N 0 0 456.384 4.776 20 0 JJADRN Cc1ccccc1NCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105796 1067236828 /nfs/dbraw/zinc/23/68/28/1067236828.db2.gz WNFKKZIKMMHTBY-UHFFFAOYSA-N 0 0 459.955 4.596 20 0 JJADRN Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)c1 ZINC001459040920 1067236850 /nfs/dbraw/zinc/23/68/50/1067236850.db2.gz BRHRSZJDIGVBLP-UHFFFAOYSA-N 0 0 459.432 4.606 20 0 JJADRN CCCOc1ccc(COC(=O)c2cnn(C(C)(C)C)c2I)c(C)c1 ZINC001452613078 1067237227 /nfs/dbraw/zinc/23/72/27/1067237227.db2.gz ROTILKIJKCQCDR-UHFFFAOYSA-N 0 0 456.324 4.697 20 0 JJADRN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)c12 ZINC001459041604 1067237233 /nfs/dbraw/zinc/23/72/33/1067237233.db2.gz KYZNMZJEJBLUFX-UHFFFAOYSA-N 0 0 450.539 4.835 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2csc(-c3ccccc3OC)n2)C[C@H]1c1ccc(Cl)cc1 ZINC001452614257 1067237269 /nfs/dbraw/zinc/23/72/69/1067237269.db2.gz UQEVSFVJRJVDEH-ZWKOTPCHSA-N 0 0 456.951 4.501 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001452613608 1067237301 /nfs/dbraw/zinc/23/73/01/1067237301.db2.gz PDFGKZNVTKBASO-FCHUYYIVSA-N 0 0 481.980 4.589 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3ccc4ccc(Cl)cc4n3)cc2Br)CC1 ZINC001459044355 1067237777 /nfs/dbraw/zinc/23/77/77/1067237777.db2.gz MXTCIKPGZYRRMH-UHFFFAOYSA-N 0 0 459.775 4.655 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)c(Cl)c1 ZINC001452621887 1067238264 /nfs/dbraw/zinc/23/82/64/1067238264.db2.gz ULEDSTDNWYGXRC-ZWKOTPCHSA-N 0 0 465.333 4.591 20 0 JJADRN C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001459046319 1067238286 /nfs/dbraw/zinc/23/82/86/1067238286.db2.gz UWLIOKDPZYTJIK-HNNXBMFYSA-N 0 0 450.808 4.672 20 0 JJADRN Cc1nc(Cl)sc1C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001459046690 1067238337 /nfs/dbraw/zinc/23/83/37/1067238337.db2.gz MAGMTOKBVRVAFG-CYBMUJFWSA-N 0 0 459.793 4.697 20 0 JJADRN COC(=O)[C@]12CN(C(=O)CCc3cc(C(F)(F)F)ccc3Br)C[C@H]1CCCC2 ZINC001452622327 1067238430 /nfs/dbraw/zinc/23/84/30/1067238430.db2.gz MDPCXEQGMWGBSI-DNVCBOLYSA-N 0 0 462.306 4.592 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1scnc1C1CC1 ZINC001459048181 1067238866 /nfs/dbraw/zinc/23/88/66/1067238866.db2.gz QTIYLIDTZYZSQZ-HNNXBMFYSA-N 0 0 451.386 4.613 20 0 JJADRN O=C(Cc1ccccc1I)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459050660 1067239323 /nfs/dbraw/zinc/23/93/23/1067239323.db2.gz MFUUNTVRXTYLED-HNNXBMFYSA-N 0 0 452.185 4.690 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@H]3CNC(=O)c4ccccc43)cc2Cl)n1 ZINC001459050918 1067239363 /nfs/dbraw/zinc/23/93/63/1067239363.db2.gz JFOBIZGBODBKAJ-HNNXBMFYSA-N 0 0 456.955 4.747 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCCCc1c(Cl)cccc1Cl ZINC001452643875 1067239375 /nfs/dbraw/zinc/23/93/75/1067239375.db2.gz MMIQKRUNMMJKNH-UHFFFAOYSA-N 0 0 455.798 4.943 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c(OC)c1 ZINC001459050998 1067239631 /nfs/dbraw/zinc/23/96/31/1067239631.db2.gz MNEQDZDKQCFZBG-UHFFFAOYSA-N 0 0 450.438 4.800 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)Cc1cc2ccccc2o1 ZINC001459051588 1067239738 /nfs/dbraw/zinc/23/97/38/1067239738.db2.gz YEJAUMURXNOTHV-GOSISDBHSA-N 0 0 458.352 4.954 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001546041506 1067239897 /nfs/dbraw/zinc/23/98/97/1067239897.db2.gz DZYUOVQZPMLZJM-HOYKHHGWSA-N 0 0 495.089 4.549 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)C1 ZINC001459052989 1067240047 /nfs/dbraw/zinc/24/00/47/1067240047.db2.gz ONFRNAHFCSYKTP-CYBMUJFWSA-N 0 0 450.992 4.868 20 0 JJADRN COc1ccc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(OCCOC(C)C)c1 ZINC001459052590 1067240111 /nfs/dbraw/zinc/24/01/11/1067240111.db2.gz PBCDIAMTOZIGDU-UHFFFAOYSA-N 0 0 451.485 4.979 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(Br)c2nccnc2c1 ZINC001459055388 1067240461 /nfs/dbraw/zinc/24/04/61/1067240461.db2.gz WLAKTENIXKDXLE-UHFFFAOYSA-N 0 0 450.258 4.873 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)c(O)c1 ZINC001452652167 1067240759 /nfs/dbraw/zinc/24/07/59/1067240759.db2.gz CIEGAMNJGBTNPR-UHFFFAOYSA-N 0 0 452.486 4.805 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(OC)c1OC(F)F ZINC001459057794 1067240829 /nfs/dbraw/zinc/24/08/29/1067240829.db2.gz GWOAQEWUFJBLTE-UHFFFAOYSA-N 0 0 450.482 4.563 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(F)cc1Br ZINC001459057455 1067240979 /nfs/dbraw/zinc/24/09/79/1067240979.db2.gz DFZSEBCUSIPTMH-UHFFFAOYSA-N 0 0 451.336 4.854 20 0 JJADRN COc1cccc2c1OCC[C@@H]2NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001452653228 1067240827 /nfs/dbraw/zinc/24/08/27/1067240827.db2.gz MBWBWIFFGYNQRP-XLIONFOSSA-N 0 0 452.551 4.954 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC2)n1 ZINC001452653116 1067240866 /nfs/dbraw/zinc/24/08/66/1067240866.db2.gz GOUOJLUONYXLDD-UHFFFAOYSA-N 0 0 459.413 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001459056268 1067241013 /nfs/dbraw/zinc/24/10/13/1067241013.db2.gz YSDGIOQYGXWMRC-FDDCHVKYSA-N 0 0 452.517 4.890 20 0 JJADRN Cn1ncc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C(F)(F)F ZINC001459058504 1067241291 /nfs/dbraw/zinc/24/12/91/1067241291.db2.gz LQXGGWDAAVYDAT-MRXNPFEDSA-N 0 0 450.848 4.592 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)cs1 ZINC001452657042 1067241403 /nfs/dbraw/zinc/24/14/03/1067241403.db2.gz SQDRLUQJLQLEFO-UHFFFAOYSA-N 0 0 454.390 4.684 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1nc2ccc(Br)cn2c1F ZINC001452654841 1067241453 /nfs/dbraw/zinc/24/14/53/1067241453.db2.gz REPGDBNVQKNVPI-UHFFFAOYSA-N 0 0 450.218 4.612 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC001452659533 1067241947 /nfs/dbraw/zinc/24/19/47/1067241947.db2.gz DUIIQLIAZFMHJN-HXUWFJFHSA-N 0 0 456.608 4.668 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)C1CC1 ZINC001459061877 1067242004 /nfs/dbraw/zinc/24/20/04/1067242004.db2.gz VOKIOKDJGAAUJG-INIZCTEOSA-N 0 0 453.370 4.644 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(OC)cc32)ccc1Br ZINC001459067792 1067242777 /nfs/dbraw/zinc/24/27/77/1067242777.db2.gz GOFHVUWBNKJJEE-UHFFFAOYSA-N 0 0 455.308 4.922 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)ccc1Br ZINC001459067039 1067242860 /nfs/dbraw/zinc/24/28/60/1067242860.db2.gz DNDLRWGEWOARAM-UHFFFAOYSA-N 0 0 452.374 4.606 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)c2ccccc21 ZINC001459068034 1067243392 /nfs/dbraw/zinc/24/33/92/1067243392.db2.gz HZEKAJBOUMKSSV-QGZVFWFLSA-N 0 0 450.413 4.581 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001452686704 1067243407 /nfs/dbraw/zinc/24/34/07/1067243407.db2.gz JYRAMLRHGNCEOP-AWEZNQCLSA-N 0 0 450.457 4.703 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001452682286 1067243416 /nfs/dbraw/zinc/24/34/16/1067243416.db2.gz NKRPOHSNAZJMON-SMIHKQSGSA-N 0 0 456.627 4.950 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001452682275 1067243455 /nfs/dbraw/zinc/24/34/55/1067243455.db2.gz NKRPOHSNAZJMON-SGNDLWITSA-N 0 0 456.627 4.950 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)Nc2cc(Br)c(F)cc2F)n1 ZINC001459070180 1067243781 /nfs/dbraw/zinc/24/37/81/1067243781.db2.gz ALMGIRXOMCUTDH-UHFFFAOYSA-N 0 0 459.291 4.645 20 0 JJADRN COC(=O)c1cc(NC(=O)c2oc3ccccc3c2Br)ccc1Br ZINC001459069638 1067243873 /nfs/dbraw/zinc/24/38/73/1067243873.db2.gz LRPSQMJCFXKDQO-UHFFFAOYSA-N 0 0 453.086 4.997 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001459070281 1067243891 /nfs/dbraw/zinc/24/38/91/1067243891.db2.gz FFMPSNMCEIOSLZ-LLVKDONJSA-N 0 0 455.729 4.894 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001452689384 1067243955 /nfs/dbraw/zinc/24/39/55/1067243955.db2.gz IHHKEOATIRGUCW-GGPKGHCWSA-N 0 0 450.362 4.872 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1 ZINC001459071077 1067244221 /nfs/dbraw/zinc/24/42/21/1067244221.db2.gz CSQSIBKBPSSMAD-UHFFFAOYSA-N 0 0 456.292 4.996 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NCc3cccc(C)c3Br)cc2)c1 ZINC001459071668 1067244844 /nfs/dbraw/zinc/24/48/44/1067244844.db2.gz CAACLLZTAAIPTL-UHFFFAOYSA-N 0 0 451.364 4.926 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)nc1 ZINC001459072403 1067244920 /nfs/dbraw/zinc/24/49/20/1067244920.db2.gz IBQVPHZDNAPXNH-UHFFFAOYSA-N 0 0 456.340 4.959 20 0 JJADRN CCOC(=O)[C@@H]1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC001459074384 1067245226 /nfs/dbraw/zinc/24/52/26/1067245226.db2.gz ZLYUGVGAFXLUMX-LJQANCHMSA-N 0 0 453.926 4.796 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Nc3ccccc3)C2)s1 ZINC001546042497 1067245563 /nfs/dbraw/zinc/24/55/63/1067245563.db2.gz MAUVWXADFQCGDU-GOSISDBHSA-N 0 0 455.605 4.840 20 0 JJADRN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452700641 1067245637 /nfs/dbraw/zinc/24/56/37/1067245637.db2.gz ZHONUEYYUFZFRZ-GOSISDBHSA-N 0 0 457.918 4.592 20 0 JJADRN CCCCCn1nc(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)c2ccccc2c1=O ZINC001459075849 1067245825 /nfs/dbraw/zinc/24/58/25/1067245825.db2.gz UQRHIJWHWJIQEQ-INIZCTEOSA-N 0 0 457.958 4.906 20 0 JJADRN CCC(O)(CC)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 ZINC001546043251 1067246102 /nfs/dbraw/zinc/24/61/02/1067246102.db2.gz NKVYDPCTOMBJFY-HXUWFJFHSA-N 0 0 480.575 4.847 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3C[C@H](N4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714132 1067246116 /nfs/dbraw/zinc/24/61/16/1067246116.db2.gz NDRRCOXCZXTWIX-DQEYMECFSA-N 0 0 450.623 4.792 20 0 JJADRN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(-c2ccc(OC)c(Br)c2)n1 ZINC001459076943 1067246375 /nfs/dbraw/zinc/24/63/75/1067246375.db2.gz SQYSOBNOEJQMMF-GXTWGEPZSA-N 0 0 453.406 4.515 20 0 JJADRN COc1ccc(CSCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1Cl ZINC001459076719 1067246477 /nfs/dbraw/zinc/24/64/77/1067246477.db2.gz SDACBNMUAGJJJV-KRWDZBQOSA-N 0 0 458.889 4.888 20 0 JJADRN Cc1c(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c(=O)n(C2CCCCC2)n1C ZINC001452735717 1067247643 /nfs/dbraw/zinc/24/76/43/1067247643.db2.gz WWULCNWGVDDMGB-SFHVURJKSA-N 0 0 450.624 4.516 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001452746696 1067247968 /nfs/dbraw/zinc/24/79/68/1067247968.db2.gz RXVANGVAIKWWDN-WMQCIHAUSA-N 0 0 458.599 4.710 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(c2nnc(N)o2)CC1 ZINC001452746611 1067248131 /nfs/dbraw/zinc/24/81/31/1067248131.db2.gz JESFORFCZVWCOI-UHFFFAOYSA-N 0 0 450.326 4.757 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001546105912 1067248347 /nfs/dbraw/zinc/24/83/47/1067248347.db2.gz BWKALOUEMJZGRY-UHFFFAOYSA-N 0 0 475.037 4.877 20 0 JJADRN CCOC(=O)c1sc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nc1C ZINC001459083864 1067248447 /nfs/dbraw/zinc/24/84/47/1067248447.db2.gz JWRHBPGSXWOTSF-UHFFFAOYSA-N 0 0 455.561 4.611 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2OCc2ccccc2)cc1C ZINC001452756227 1067248496 /nfs/dbraw/zinc/24/84/96/1067248496.db2.gz GMXXWEKKNDRFCN-UHFFFAOYSA-N 0 0 452.576 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC001452756013 1067248550 /nfs/dbraw/zinc/24/85/50/1067248550.db2.gz LJFOWDYEBXUHRV-UHFFFAOYSA-N 0 0 454.390 4.766 20 0 JJADRN O=C(COc1ccc(Cl)c(Br)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001459088841 1067248830 /nfs/dbraw/zinc/24/88/30/1067248830.db2.gz QURZVMWOPNDUMR-KRWDZBQOSA-N 0 0 452.732 4.616 20 0 JJADRN CC(=O)N(c1nc(Cn2cc(Br)cc(Cl)c2=O)cs1)c1ccc(C)cc1 ZINC001459091236 1067249132 /nfs/dbraw/zinc/24/91/32/1067249132.db2.gz XOVGTJMCSBZZOG-UHFFFAOYSA-N 0 0 452.761 4.762 20 0 JJADRN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1c(=O)sc2c1cccc2F ZINC001459098890 1067250243 /nfs/dbraw/zinc/25/02/43/1067250243.db2.gz GTALDUVTEKSNKX-UHFFFAOYSA-N 0 0 450.535 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001459101995 1067250775 /nfs/dbraw/zinc/25/07/75/1067250775.db2.gz LJQCZXDVUZBPTE-AWEZNQCLSA-N 0 0 454.474 4.718 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ncc(C(F)(F)F)s2)cc1OCC ZINC001459103016 1067251087 /nfs/dbraw/zinc/25/10/87/1067251087.db2.gz PBBLEKPOFVKXRF-UHFFFAOYSA-N 0 0 453.280 4.903 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@@H](C)CO1 ZINC001452777578 1067251158 /nfs/dbraw/zinc/25/11/58/1067251158.db2.gz QPLNAMMTYYRLOF-NPMXOYFQSA-N 0 0 458.624 4.669 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@@H]3C)n2)c1 ZINC001452777960 1067251359 /nfs/dbraw/zinc/25/13/59/1067251359.db2.gz SGODDXOQDSVUSN-ZCNNSNEGSA-N 0 0 450.608 4.647 20 0 JJADRN CC(C)CCNC(=O)C1CCN(C(=O)CS[C@H](C)c2cccc(Br)c2)CC1 ZINC001459104909 1067251569 /nfs/dbraw/zinc/25/15/69/1067251569.db2.gz UQIAGIKBCQYLEM-MRXNPFEDSA-N 0 0 455.462 4.644 20 0 JJADRN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452789172 1067251773 /nfs/dbraw/zinc/25/17/73/1067251773.db2.gz FPAJDTVXXKMFGE-OAQYLSRUSA-N 0 0 450.753 4.956 20 0 JJADRN COc1ccc(CCC(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001452790998 1067252007 /nfs/dbraw/zinc/25/20/07/1067252007.db2.gz OGCBVJGPBGKHIC-OAQYLSRUSA-N 0 0 452.776 4.554 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001546106322 1067252117 /nfs/dbraw/zinc/25/21/17/1067252117.db2.gz SBRBLILRPXLCIL-UHFFFAOYSA-N 0 0 463.630 4.878 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)nnn1-c1cccc(Cl)c1 ZINC001452792814 1067252308 /nfs/dbraw/zinc/25/23/08/1067252308.db2.gz YEGWUIRBKASZBO-HSZRJFAPSA-N 0 0 459.377 4.650 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452791450 1067252332 /nfs/dbraw/zinc/25/23/32/1067252332.db2.gz RZBRZTOLIRURJQ-VWLOTQADSA-N 0 0 453.922 4.757 20 0 JJADRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ncc(CO)n1Cc1cccc(F)c1 ZINC001459108638 1067252598 /nfs/dbraw/zinc/25/25/98/1067252598.db2.gz BWKXLVRBNOBDQS-INIZCTEOSA-N 0 0 453.539 4.621 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccnc2-c2ccc(Cl)s2)c1 ZINC001459108893 1067252667 /nfs/dbraw/zinc/25/26/67/1067252667.db2.gz FEODBKZPONRPKQ-UHFFFAOYSA-N 0 0 453.948 4.542 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)C1CCN(c2cnccn2)CC1 ZINC001452796492 1067252737 /nfs/dbraw/zinc/25/27/37/1067252737.db2.gz CHSACUQKSMMNDX-UHFFFAOYSA-N 0 0 453.340 4.887 20 0 JJADRN Cc1c(NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cnn1-c1ccc(F)cc1 ZINC001452800070 1067253326 /nfs/dbraw/zinc/25/33/26/1067253326.db2.gz HFUXSXAGBUQLQQ-INIZCTEOSA-N 0 0 453.518 4.685 20 0 JJADRN Cc1c(NC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1 ZINC001452802878 1067253551 /nfs/dbraw/zinc/25/35/51/1067253551.db2.gz OKFJADSTUJOODP-FQEVSTJZSA-N 0 0 452.530 4.784 20 0 JJADRN COC(=O)[C@H](Sc1ncc(CO)n1Cc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC001459115585 1067253548 /nfs/dbraw/zinc/25/35/48/1067253548.db2.gz WTXUHMRGKWAGJP-GOSISDBHSA-N 0 0 455.338 4.876 20 0 JJADRN Cc1cc(CN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C2CC2)cc(S(N)(=O)=O)c1C ZINC001452803287 1067253649 /nfs/dbraw/zinc/25/36/49/1067253649.db2.gz MMLMOIHNMRCTAZ-IBGZPJMESA-N 0 0 457.640 4.520 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)O[C@H]2CCOc3c(C)cccc32)nnc1-c1ccccc1 ZINC001459116607 1067253926 /nfs/dbraw/zinc/25/39/26/1067253926.db2.gz HDBKTNBBVWDFBW-PXNSSMCTSA-N 0 0 453.564 4.620 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)[C@H]1c1cccc(F)c1 ZINC001459116659 1067253946 /nfs/dbraw/zinc/25/39/46/1067253946.db2.gz BWUHSGCYCCNLQW-QNWVGRARSA-N 0 0 473.386 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(OCC(F)(F)F)c2)Cc2ccccc21 ZINC001452804237 1067253961 /nfs/dbraw/zinc/25/39/61/1067253961.db2.gz MFDCWKVSDAMGFL-KRWDZBQOSA-N 0 0 450.457 4.724 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC001459117591 1067254141 /nfs/dbraw/zinc/25/41/41/1067254141.db2.gz CUWGEVDOLFADSN-SFHVURJKSA-N 0 0 451.405 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(OCC(F)(F)F)c2)Cc2ccccc21 ZINC001452804319 1067254112 /nfs/dbraw/zinc/25/41/12/1067254112.db2.gz MFDCWKVSDAMGFL-QGZVFWFLSA-N 0 0 450.457 4.724 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)cc2)n1 ZINC001459118063 1067254536 /nfs/dbraw/zinc/25/45/36/1067254536.db2.gz XQRJLKSPGRFSQB-AREMUKBSSA-N 0 0 453.542 4.746 20 0 JJADRN CC1CCN(c2ccc(C(=O)NC[C@H](C(=O)OCc3ccccc3)c3ccccc3)cn2)CC1 ZINC001459119733 1067255061 /nfs/dbraw/zinc/25/50/61/1067255061.db2.gz ZNAWKUGGRMYCFO-VWLOTQADSA-N 0 0 457.574 4.575 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)c3cnn(CC(C)C)c3-c3ccccc3)CC2)c1 ZINC001452823374 1067255604 /nfs/dbraw/zinc/25/56/04/1067255604.db2.gz PBSXNQUZINABQP-UHFFFAOYSA-N 0 0 452.986 4.831 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@H]1CCCOC1 ZINC001452834943 1067256420 /nfs/dbraw/zinc/25/64/20/1067256420.db2.gz KPVQWJSNSKOBRO-UXHICEINSA-N 0 0 450.579 4.579 20 0 JJADRN O=C(Cc1ccccc1O[C@@H]1CCOC1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459126940 1067257049 /nfs/dbraw/zinc/25/70/49/1067257049.db2.gz VBFMEUIZGZFZLA-FCHUYYIVSA-N 0 0 458.396 4.687 20 0 JJADRN CCCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ncsc2C1 ZINC001452840351 1067257011 /nfs/dbraw/zinc/25/70/11/1067257011.db2.gz DECLCYZYJUGOMC-MRXNPFEDSA-N 0 0 456.637 4.601 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001459127656 1067257536 /nfs/dbraw/zinc/25/75/36/1067257536.db2.gz AQSOFWXOQASFQD-LJQANCHMSA-N 0 0 457.539 4.602 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC001459128915 1067257590 /nfs/dbraw/zinc/25/75/90/1067257590.db2.gz VICAEMFXHCOQIA-NRFANRHFSA-N 0 0 454.636 4.800 20 0 JJADRN Cc1ccc([C@@H](NC(=O)Cn2nc(C(F)(F)F)cc2Br)c2cccs2)cc1 ZINC001459132298 1067258056 /nfs/dbraw/zinc/25/80/56/1067258056.db2.gz LTRRLJLCMMNMKA-QGZVFWFLSA-N 0 0 458.303 4.940 20 0 JJADRN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc21 ZINC001452867133 1067258030 /nfs/dbraw/zinc/25/80/30/1067258030.db2.gz PGHSRGOSNBXRLQ-OAQYLSRUSA-N 0 0 456.583 4.694 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)O1 ZINC001546045635 1067259617 /nfs/dbraw/zinc/25/96/17/1067259617.db2.gz QWXDQLGNRASMKZ-HCLVMJGWSA-N 0 0 499.553 4.589 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)O1 ZINC001546045374 1067259679 /nfs/dbraw/zinc/25/96/79/1067259679.db2.gz OFEZDXKSXAQLBO-IPVFLDMMSA-N 0 0 456.631 4.998 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H](C)CC2)O1 ZINC001546045602 1067259715 /nfs/dbraw/zinc/25/97/15/1067259715.db2.gz QQHSJHFYBZKRGO-CTIGNXTNSA-N 0 0 474.049 4.836 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cc(F)cc(Br)c1 ZINC001459144895 1067260037 /nfs/dbraw/zinc/26/00/37/1067260037.db2.gz BATHZGPZWZITOQ-SUMWQHHRSA-N 0 0 453.739 4.862 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)N3CCC(c4ccccc4Br)CC3)CC2=O)cc1 ZINC001459144939 1067260107 /nfs/dbraw/zinc/26/01/07/1067260107.db2.gz CIXSFUKUAQCDAQ-IBGZPJMESA-N 0 0 455.396 4.771 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)NCc2ccnc(Oc3ccccc3)c2)s1 ZINC001452892488 1067260231 /nfs/dbraw/zinc/26/02/31/1067260231.db2.gz DXZUXQPSSKPSPU-UHFFFAOYSA-N 0 0 454.552 4.926 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(-c3ccco3)nn1)CCCC2 ZINC001459145769 1067260609 /nfs/dbraw/zinc/26/06/09/1067260609.db2.gz DSDWKICEKLTULC-ZDUSSCGKSA-N 0 0 457.577 4.973 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC001459146374 1067261054 /nfs/dbraw/zinc/26/10/54/1067261054.db2.gz HHGIKKDDBNWDEA-UHFFFAOYSA-N 0 0 451.311 4.906 20 0 JJADRN C/C(=C\C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001459149581 1067261508 /nfs/dbraw/zinc/26/15/08/1067261508.db2.gz URTORYUHVWQUFS-IXDOJHRFSA-N 0 0 452.423 4.694 20 0 JJADRN O=C(c1cccn(Cc2ccccc2)c1=O)N1CCC(c2ccccc2Br)CC1 ZINC001459149495 1067261586 /nfs/dbraw/zinc/26/15/86/1067261586.db2.gz PNRLHOLLAZFSLM-UHFFFAOYSA-N 0 0 451.364 4.679 20 0 JJADRN Cc1cc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc(NC2CC2)n1 ZINC001452899414 1067261656 /nfs/dbraw/zinc/26/16/56/1067261656.db2.gz PKJAJZCGGZPAGP-OAQYLSRUSA-N 0 0 450.583 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001452903606 1067262065 /nfs/dbraw/zinc/26/20/65/1067262065.db2.gz WFIMSPBENTWPNI-DNVJHFABSA-N 0 0 450.579 4.679 20 0 JJADRN COc1cccc(OC)c1CC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452903256 1067262117 /nfs/dbraw/zinc/26/21/17/1067262117.db2.gz UQJAPNSCVAXCDP-LJQANCHMSA-N 0 0 454.567 4.509 20 0 JJADRN COc1cc(F)c(OCc2coc(-c3ccc(I)cc3)n2)cc1OC ZINC001459152734 1067262627 /nfs/dbraw/zinc/26/26/27/1067262627.db2.gz JDLLRADZRFNPGH-UHFFFAOYSA-N 0 0 455.223 4.682 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC[C@H]([C@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)CCC2)cc1 ZINC001452906615 1067263096 /nfs/dbraw/zinc/26/30/96/1067263096.db2.gz QLXPSRCCKPUUHT-ACIOBRDBSA-N 0 0 456.627 4.728 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC[C@H]([C@@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)CCC2)cc1 ZINC001452906617 1067263119 /nfs/dbraw/zinc/26/31/19/1067263119.db2.gz QLXPSRCCKPUUHT-PMVMPFDFSA-N 0 0 456.627 4.728 20 0 JJADRN CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001452906245 1067263152 /nfs/dbraw/zinc/26/31/52/1067263152.db2.gz RGCMAFIFVWAGLL-LJQANCHMSA-N 0 0 458.628 4.587 20 0 JJADRN Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H]([C@H]4C[C@@H](NC(=O)OC(C)(C)C)CCO4)C3)cc21 ZINC001452906701 1067263165 /nfs/dbraw/zinc/26/31/65/1067263165.db2.gz RJUMJUJZLIQKJC-XGHQBKJUSA-N 0 0 459.562 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@]3(C)CCCc4ccccc43)C2)C1 ZINC001452908513 1067263479 /nfs/dbraw/zinc/26/34/79/1067263479.db2.gz YICRUFUFGUMLKU-HQXRWGSWSA-N 0 0 456.627 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@]3(C)CCCc4ccccc43)C2)C1 ZINC001452908526 1067263508 /nfs/dbraw/zinc/26/35/08/1067263508.db2.gz YICRUFUFGUMLKU-WYJVOUSZSA-N 0 0 456.627 4.592 20 0 JJADRN O=C(c1cc(Br)nn1-c1ncccc1Cl)N1CCC(c2ccsc2)CC1 ZINC001459157970 1067263651 /nfs/dbraw/zinc/26/36/51/1067263651.db2.gz GBWQVBIFLHWOMF-UHFFFAOYSA-N 0 0 451.777 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001459162335 1067264101 /nfs/dbraw/zinc/26/41/01/1067264101.db2.gz LOKYSHRPIYKAJH-YZUZCNPQSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001459165226 1067264640 /nfs/dbraw/zinc/26/46/40/1067264640.db2.gz SDWRFWZKZWUOOM-QGZVFWFLSA-N 0 0 451.283 4.886 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1 ZINC001452925905 1067265147 /nfs/dbraw/zinc/26/51/47/1067265147.db2.gz UJDGVDARRXDUSZ-UTKZUKDTSA-N 0 0 453.583 4.672 20 0 JJADRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]3C)c2cnn(C)c2n1 ZINC001459166060 1067265217 /nfs/dbraw/zinc/26/52/17/1067265217.db2.gz RETQMCGXGBAGOU-CHWSQXEVSA-N 0 0 456.568 4.568 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 ZINC001452925906 1067265200 /nfs/dbraw/zinc/26/52/00/1067265200.db2.gz UJDGVDARRXDUSZ-UWJYYQICSA-N 0 0 453.583 4.672 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)CC(C)C ZINC001452923362 1067265239 /nfs/dbraw/zinc/26/52/39/1067265239.db2.gz LMRHLDXEBCJZPG-TUFLPTIASA-N 0 0 452.636 4.676 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](CC)OC[C@H]3CC)c2)cc1 ZINC001452939096 1067265616 /nfs/dbraw/zinc/26/56/16/1067265616.db2.gz XRYRNFSXHVMWMJ-DHIUTWEWSA-N 0 0 458.624 4.860 20 0 JJADRN O=C(CS[C@@H]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001459169934 1067265657 /nfs/dbraw/zinc/26/56/57/1067265657.db2.gz ZGBSZIQEJJCKRJ-OAQYLSRUSA-N 0 0 455.576 4.888 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)OC2CCCC2)O1 ZINC001546046299 1067266040 /nfs/dbraw/zinc/26/60/40/1067266040.db2.gz ZBGARWGFBDYMEU-SQJMNOBHSA-N 0 0 455.603 4.805 20 0 JJADRN COC(=O)N1CCC([C@H](C)NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)CC1 ZINC001459181254 1067267006 /nfs/dbraw/zinc/26/70/06/1067267006.db2.gz LYBBHELJMYLTJV-LBPRGKRZSA-N 0 0 455.502 4.734 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCc2nc(-c3ccc(F)cc3)no2)c1 ZINC001459180505 1067267021 /nfs/dbraw/zinc/26/70/21/1067267021.db2.gz ZOEAYISKQQRCCT-UHFFFAOYSA-N 0 0 458.339 4.521 20 0 JJADRN O=C(N1CC(Oc2cccc(Cl)c2Cl)C1)C(F)(F)c1ncccc1Br ZINC001452954899 1067267149 /nfs/dbraw/zinc/26/71/49/1067267149.db2.gz MKUHVQXEEDBEQL-UHFFFAOYSA-N 0 0 452.082 4.533 20 0 JJADRN CC(C)c1nc(C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)nn1-c1cccc(F)c1 ZINC001452956397 1067267173 /nfs/dbraw/zinc/26/71/73/1067267173.db2.gz IYMKIUMRWHKGOS-KRWDZBQOSA-N 0 0 451.329 4.642 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001452959323 1067267536 /nfs/dbraw/zinc/26/75/36/1067267536.db2.gz NCWLENCHMAZGEA-NSHDSACASA-N 0 0 457.478 4.585 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001452959318 1067267642 /nfs/dbraw/zinc/26/76/42/1067267642.db2.gz NCWLENCHMAZGEA-LLVKDONJSA-N 0 0 457.478 4.585 20 0 JJADRN C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452957864 1067267796 /nfs/dbraw/zinc/26/77/96/1067267796.db2.gz LUOLZCWNFDDZCF-OALUTQOASA-N 0 0 454.567 4.688 20 0 JJADRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001452963097 1067268063 /nfs/dbraw/zinc/26/80/63/1067268063.db2.gz UWUFHIIKASJCOP-LRWOEKSYSA-N 0 0 453.546 4.997 20 0 JJADRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452963118 1067268170 /nfs/dbraw/zinc/26/81/70/1067268170.db2.gz UWUFHIIKASJCOP-NZCMUJPFSA-N 0 0 453.546 4.997 20 0 JJADRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cnn(Cc2ccccc2)c1Br ZINC001459186422 1067268287 /nfs/dbraw/zinc/26/82/87/1067268287.db2.gz RXSOVQRSCFUHDP-QGZVFWFLSA-N 0 0 452.274 4.770 20 0 JJADRN O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001452966489 1067269042 /nfs/dbraw/zinc/26/90/42/1067269042.db2.gz GUGQBIPYTRUCIF-GOSISDBHSA-N 0 0 453.258 4.568 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC001459188116 1067269124 /nfs/dbraw/zinc/26/91/24/1067269124.db2.gz FAVWSESJDIQJKH-QFIPXVFZSA-N 0 0 456.384 4.617 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 ZINC001459188370 1067269213 /nfs/dbraw/zinc/26/92/13/1067269213.db2.gz FJMSGKFOBWPZPG-UHFFFAOYSA-N 0 0 459.498 4.836 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)Nc1cnc2ccccn12 ZINC001452966746 1067269143 /nfs/dbraw/zinc/26/91/43/1067269143.db2.gz RXJGQJPYNRIXOG-UHFFFAOYSA-N 0 0 455.337 4.592 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)[C@H]2CCCC[C@@H]12 ZINC001452969250 1067269563 /nfs/dbraw/zinc/26/95/63/1067269563.db2.gz TWQQTFIVWGROOP-BDTNDASRSA-N 0 0 455.624 4.668 20 0 JJADRN COc1c(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)oc2ccccc21 ZINC001459193575 1067269629 /nfs/dbraw/zinc/26/96/29/1067269629.db2.gz ZRKWOSPJKWFUKA-ACQXMXPUSA-N 0 0 452.938 4.806 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC001459194554 1067269925 /nfs/dbraw/zinc/26/99/25/1067269925.db2.gz ZOXVKSDZXANZIC-UHFFFAOYSA-N 0 0 452.576 4.686 20 0 JJADRN CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC001452977517 1067270125 /nfs/dbraw/zinc/27/01/25/1067270125.db2.gz VOSQEFIBOAQQFU-HFZDXXHNSA-N 0 0 455.620 4.533 20 0 JJADRN CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC001452977553 1067270143 /nfs/dbraw/zinc/27/01/43/1067270143.db2.gz VOSQEFIBOAQQFU-RLWLMLJZSA-N 0 0 455.620 4.533 20 0 JJADRN O=C(c1cnc(-c2ccccc2Br)s1)N1CCSC[C@@H]1c1nccs1 ZINC001459201053 1067270363 /nfs/dbraw/zinc/27/03/63/1067270363.db2.gz FBDCOBZURRCRHA-CYBMUJFWSA-N 0 0 452.424 4.959 20 0 JJADRN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSCc2ccccn2)cc1OC ZINC001459201347 1067270374 /nfs/dbraw/zinc/27/03/74/1067270374.db2.gz URQBQRMCTMHLFH-IBGZPJMESA-N 0 0 453.589 4.771 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC(F)F)c2)C1 ZINC001546107113 1067270410 /nfs/dbraw/zinc/27/04/10/1067270410.db2.gz ARJUSYYWAHSCAB-UHFFFAOYSA-N 0 0 474.556 4.548 20 0 JJADRN Cc1cc(NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc(C(F)(F)F)c1 ZINC001452982402 1067270604 /nfs/dbraw/zinc/27/06/04/1067270604.db2.gz CUSXKJPGIFSFTQ-JOCHJYFZSA-N 0 0 456.505 4.885 20 0 JJADRN CC(=O)N(c1nc(COc2cccc(OC(F)(F)F)c2Br)cs1)C1CC1 ZINC001459206616 1067270990 /nfs/dbraw/zinc/27/09/90/1067270990.db2.gz CTINPQKHEQDLRE-UHFFFAOYSA-N 0 0 451.264 4.899 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)c(Br)cc2C)cnn1CCO[C@@H]1CCCCO1 ZINC001452996282 1067272035 /nfs/dbraw/zinc/27/20/35/1067272035.db2.gz GEXGLBKRZWBIOU-GOSISDBHSA-N 0 0 456.768 4.711 20 0 JJADRN Cc1cc(C(=O)Cn2nc(-c3c(F)cccc3F)ccc2=O)c(C)n1CCc1cccs1 ZINC001459218433 1067272356 /nfs/dbraw/zinc/27/23/56/1067272356.db2.gz SDQOILWGFHQFML-UHFFFAOYSA-N 0 0 453.514 4.794 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)c(I)c1)CCO2 ZINC001459221796 1067272943 /nfs/dbraw/zinc/27/29/43/1067272943.db2.gz NGULKRUKVLMKRC-INIZCTEOSA-N 0 0 457.695 4.597 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1F ZINC001452998841 1067273299 /nfs/dbraw/zinc/27/32/99/1067273299.db2.gz PUCUAXTWKQSJBN-MAUKXSAKSA-N 0 0 451.325 4.858 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@@H](Cc3ccccn3)c3ccc(Br)cc3)cc12 ZINC001459225260 1067273287 /nfs/dbraw/zinc/27/32/87/1067273287.db2.gz LXJZBMUPBBRYQL-SFHVURJKSA-N 0 0 455.381 4.815 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC001459228170 1067273734 /nfs/dbraw/zinc/27/37/34/1067273734.db2.gz IDOFNZAHWFHOSR-DOTOQJQBSA-N 0 0 456.587 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](Cn3nc(-c4ccc(Cl)cc4)nc3Cl)C2)C1 ZINC001459228524 1067273744 /nfs/dbraw/zinc/27/37/44/1067273744.db2.gz MLFMAGKSMRMASD-IERDGZPVSA-N 0 0 453.370 4.668 20 0 JJADRN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001453020440 1067274250 /nfs/dbraw/zinc/27/42/50/1067274250.db2.gz HILLUWNNESHMAP-UHFFFAOYSA-N 0 0 458.345 4.825 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N(Cc3ccccn3)c3ccc(N(C)C)cc3)o2)cc1 ZINC001459230158 1067274364 /nfs/dbraw/zinc/27/43/64/1067274364.db2.gz VYHQMKVWYMNEHX-UHFFFAOYSA-N 0 0 456.546 4.977 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1C(F)(F)F ZINC001453001207 1067274508 /nfs/dbraw/zinc/27/45/08/1067274508.db2.gz ULDYGEUDFODUFB-UKRRQHHQSA-N 0 0 458.402 4.835 20 0 JJADRN O=C(COc1c(Cl)cccc1Br)NCCOc1cccc(C(F)(F)F)c1 ZINC001459231369 1067274619 /nfs/dbraw/zinc/27/46/19/1067274619.db2.gz QJOODPOMXBYLKS-UHFFFAOYSA-N 0 0 452.654 4.695 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 ZINC001459231665 1067274762 /nfs/dbraw/zinc/27/47/62/1067274762.db2.gz QKLZHQNVABZRFM-SJLPKXTDSA-N 0 0 454.958 4.666 20 0 JJADRN O=C(Cc1cc(F)cc2c1OCOC2)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459231664 1067274779 /nfs/dbraw/zinc/27/47/79/1067274779.db2.gz DHXKJDXDXZRCMP-LJQANCHMSA-N 0 0 452.295 4.794 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001453055618 1067275648 /nfs/dbraw/zinc/27/56/48/1067275648.db2.gz IKEKAQYEBGSYHF-BWTSREIZSA-N 0 0 454.567 4.523 20 0 JJADRN C[C@H](Sc1cccc(S(C)(=O)=O)c1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459236192 1067275688 /nfs/dbraw/zinc/27/56/88/1067275688.db2.gz BTUWZHJTLYHHKE-INIZCTEOSA-N 0 0 458.630 4.897 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN(C)c2ccccc2)O1 ZINC001546047539 1067276032 /nfs/dbraw/zinc/27/60/32/1067276032.db2.gz ALKRPQHYARCFNC-BWKNWUBXSA-N 0 0 469.033 4.914 20 0 JJADRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COc2cc(Br)ccc2C(N)=O)cc1 ZINC001459240192 1067276273 /nfs/dbraw/zinc/27/62/73/1067276273.db2.gz HRLNKCDCTXMNSM-LJQANCHMSA-N 0 0 459.384 4.588 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)cc1Br ZINC001459247707 1067277081 /nfs/dbraw/zinc/27/70/81/1067277081.db2.gz VVGSBZQRDMOVKB-UHFFFAOYSA-N 0 0 450.329 4.982 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2cc(Br)c(OC)cc2OC)nc1 ZINC001459245654 1067277260 /nfs/dbraw/zinc/27/72/60/1067277260.db2.gz RCLNAJZMMRUZLU-UHFFFAOYSA-N 0 0 459.296 4.915 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546047621 1067277629 /nfs/dbraw/zinc/27/76/29/1067277629.db2.gz BBWZDJKGVIVKEL-SIKLNZKXSA-N 0 0 461.404 4.790 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3nc4ccccc4n3C)s2)cc1OC ZINC001459255796 1067278132 /nfs/dbraw/zinc/27/81/32/1067278132.db2.gz QFLFPJCOEZOMLU-UHFFFAOYSA-N 0 0 450.564 4.688 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(F)F)CC2)O1 ZINC001546047665 1067278142 /nfs/dbraw/zinc/27/81/42/1067278142.db2.gz BOCLTYLWFBUNDH-OPAMFIHVSA-N 0 0 488.410 4.987 20 0 JJADRN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C2 ZINC001453083806 1067278217 /nfs/dbraw/zinc/27/82/17/1067278217.db2.gz ULEIMGCYTSHEFA-YVBAQBQYSA-N 0 0 471.956 4.836 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)S[C@@H](C)C2)O1 ZINC001546047672 1067278825 /nfs/dbraw/zinc/27/88/25/1067278825.db2.gz BQQKLXDXPVKAJV-MDWCYVBFSA-N 0 0 460.644 4.640 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3cn4c(Br)cnc4s3)c2o1 ZINC001459261284 1067279279 /nfs/dbraw/zinc/27/92/79/1067279279.db2.gz FYVOYRFSJGCATF-UHFFFAOYSA-N 0 0 456.119 4.623 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H](C)c2cccc(O)c2)cc1 ZINC001453117292 1067279761 /nfs/dbraw/zinc/27/97/61/1067279761.db2.gz KXXZMUWLGAQXHM-NWVWQQAFSA-N 0 0 468.594 4.804 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459266827 1067279899 /nfs/dbraw/zinc/27/98/99/1067279899.db2.gz QKHLTLPKBZYGJW-UHFFFAOYSA-N 0 0 459.346 4.974 20 0 JJADRN CN(CCc1ccccc1C(=O)NCc1nc2cc(Cl)ccc2n1C)C(=O)OC(C)(C)C ZINC001459266154 1067279914 /nfs/dbraw/zinc/27/99/14/1067279914.db2.gz ROBDGTZKPUNMRB-UHFFFAOYSA-N 0 0 456.974 4.566 20 0 JJADRN CCCn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)c1C ZINC001453118517 1067280429 /nfs/dbraw/zinc/28/04/29/1067280429.db2.gz QIYDWWUHKBKOSY-GMAHTHKFSA-N 0 0 470.614 4.523 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC001459275825 1067280877 /nfs/dbraw/zinc/28/08/77/1067280877.db2.gz MBXGXRGNSSQRKN-IIBYNOLFSA-N 0 0 459.464 4.917 20 0 JJADRN CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC(C)(C)C1 ZINC001453122966 1067280999 /nfs/dbraw/zinc/28/09/99/1067280999.db2.gz QXJWLEJULHKTOS-UHFFFAOYSA-N 0 0 458.580 4.505 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001459278523 1067281465 /nfs/dbraw/zinc/28/14/65/1067281465.db2.gz QFTDRSTXICXGCV-CTNGQTDRSA-N 0 0 450.645 4.595 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(OC)cc(OC)c2)O1 ZINC001546047872 1067282053 /nfs/dbraw/zinc/28/20/53/1067282053.db2.gz FNMDWAXYRUXSCQ-DFBJGRDBSA-N 0 0 486.016 4.995 20 0 JJADRN O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1Cc2cccc(Br)c2C1 ZINC001459284365 1067282392 /nfs/dbraw/zinc/28/23/92/1067282392.db2.gz HLPBLNZLGNDEOI-UHFFFAOYSA-N 0 0 453.258 4.751 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)[C@@H](F)C2)O1 ZINC001546047889 1067282558 /nfs/dbraw/zinc/28/25/58/1067282558.db2.gz FQCBUDKWDTXGAI-UMCXVIDHSA-N 0 0 457.413 4.911 20 0 JJADRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001459282274 1067282541 /nfs/dbraw/zinc/28/25/41/1067282541.db2.gz UHQUCWYHGICJEH-UHFFFAOYSA-N 0 0 454.983 4.841 20 0 JJADRN CC[C@@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453134025 1067282604 /nfs/dbraw/zinc/28/26/04/1067282604.db2.gz VPAPDZSDOYTTGE-NYVOZVTQSA-N 0 0 464.503 4.766 20 0 JJADRN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1Cc2cccc(Br)c2C1 ZINC001459289439 1067283477 /nfs/dbraw/zinc/28/34/77/1067283477.db2.gz ZFYPLRUEYQXJSK-UHFFFAOYSA-N 0 0 454.290 4.622 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)nnn1-c1cccc(Cl)c1 ZINC001459292443 1067284039 /nfs/dbraw/zinc/28/40/39/1067284039.db2.gz XMAGBEJCDTTYBE-YADHBBJMSA-N 0 0 452.986 4.987 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](C(C)(C)C)C2)O1 ZINC001546048008 1067284195 /nfs/dbraw/zinc/28/41/95/1067284195.db2.gz GXESGZMKDWBOBP-NDIWIEOSSA-N 0 0 472.630 4.561 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(Cc2ccco2)C(C)C)O1 ZINC001546047998 1067284295 /nfs/dbraw/zinc/28/42/95/1067284295.db2.gz GVCBENJUPFGGFQ-OFVILXPXSA-N 0 0 486.638 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001453170827 1067285240 /nfs/dbraw/zinc/28/52/40/1067285240.db2.gz VQFJHVATHXPFDR-RUZDIDTESA-N 0 0 459.587 4.913 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001459299544 1067286465 /nfs/dbraw/zinc/28/64/65/1067286465.db2.gz XNJNGLMMXLAXMH-QFIPXVFZSA-N 0 0 452.551 4.981 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCSC[C@H]2C)O1 ZINC001546048256 1067286868 /nfs/dbraw/zinc/28/68/68/1067286868.db2.gz KAUZPZMKTBDRTH-ZDPZECHZSA-N 0 0 451.036 4.897 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048214 1067287027 /nfs/dbraw/zinc/28/70/27/1067287027.db2.gz JKVLWJYEAIIROL-KOSHJBKYSA-N 0 0 460.644 4.642 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C(C)C)C2)O1 ZINC001546048241 1067287036 /nfs/dbraw/zinc/28/70/36/1067287036.db2.gz JWDSOEVHXXECID-CKJXQJPGSA-N 0 0 483.476 4.978 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](OCC(C)C)C2)O1 ZINC001546048291 1067287446 /nfs/dbraw/zinc/28/74/46/1067287446.db2.gz KMFZUVOMPJXJTM-LZCXECNNSA-N 0 0 472.630 4.561 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)nnn1Cc1ccc(F)cc1 ZINC001459303322 1067287889 /nfs/dbraw/zinc/28/78/89/1067287889.db2.gz LXAILLHMWKBAON-IBGZPJMESA-N 0 0 458.921 4.628 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)c2)o1 ZINC001459303392 1067287897 /nfs/dbraw/zinc/28/78/97/1067287897.db2.gz MIXSCBMCWDGPDJ-GOSISDBHSA-N 0 0 457.914 4.737 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)O1 ZINC001546048403 1067288238 /nfs/dbraw/zinc/28/82/38/1067288238.db2.gz LODYIKFESBZZMX-CJFMBICVSA-N 0 0 483.016 4.725 20 0 JJADRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1Br ZINC001459303696 1067288281 /nfs/dbraw/zinc/28/82/81/1067288281.db2.gz KWHKDEAJRHRPME-NSHDSACASA-N 0 0 455.711 4.632 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)O1 ZINC001546048406 1067288349 /nfs/dbraw/zinc/28/83/49/1067288349.db2.gz LODYIKFESBZZMX-NLFFAJNJSA-N 0 0 483.016 4.725 20 0 JJADRN Cc1c(C(=O)OCc2ccc(Cl)cc2Br)nnn1Cc1ccc(F)cc1F ZINC001459305746 1067288707 /nfs/dbraw/zinc/28/87/07/1067288707.db2.gz ZXABCGQBCAQOBO-UHFFFAOYSA-N 0 0 456.674 4.686 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1=O ZINC001459305688 1067288743 /nfs/dbraw/zinc/28/87/43/1067288743.db2.gz ZBTOWSYLGFWZQV-AZUAARDMSA-N 0 0 456.970 4.842 20 0 JJADRN O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001453209205 1067289132 /nfs/dbraw/zinc/28/91/32/1067289132.db2.gz FBFOYIJNBPVSOA-UHFFFAOYSA-N 0 0 456.742 4.926 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001459306194 1067289202 /nfs/dbraw/zinc/28/92/02/1067289202.db2.gz XDHCNPVUICQDRL-YJBOKZPZSA-N 0 0 453.174 4.791 20 0 JJADRN O=C(CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001459307103 1067289241 /nfs/dbraw/zinc/28/92/41/1067289241.db2.gz ASMZGKCUVXRHOB-CYBMUJFWSA-N 0 0 456.805 4.783 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1Cc1ccc(OC(F)F)cc1 ZINC001459307588 1067289793 /nfs/dbraw/zinc/28/97/93/1067289793.db2.gz DPNDJPAXFMWHTJ-XMMPIXPASA-N 0 0 454.492 4.713 20 0 JJADRN C[C@H](c1ccccc1F)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459310645 1067290445 /nfs/dbraw/zinc/29/04/45/1067290445.db2.gz MLYBWSMUVSZMPJ-CYBMUJFWSA-N 0 0 450.885 4.565 20 0 JJADRN CCOC(=O)C[C@@](C)(NC(=O)CCc1ncc(-c2ccccc2Br)o1)C(C)C ZINC001459310083 1067290549 /nfs/dbraw/zinc/29/05/49/1067290549.db2.gz CGNLLNPMQYNAAF-OAQYLSRUSA-N 0 0 451.361 4.521 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001453226577 1067290417 /nfs/dbraw/zinc/29/04/17/1067290417.db2.gz KAEWDLHWSLZNII-QFIPXVFZSA-N 0 0 454.567 4.994 20 0 JJADRN CCOc1cc(CN(Cc2ccccc2C(F)(F)F)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC001459313380 1067291156 /nfs/dbraw/zinc/29/11/56/1067291156.db2.gz YLNUYVVRZWUGRE-UHFFFAOYSA-N 0 0 459.394 4.725 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546048949 1067291388 /nfs/dbraw/zinc/29/13/88/1067291388.db2.gz RVRAZGVAQLSDON-DHJUGAMNSA-N 0 0 477.447 4.918 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(Cc2ccccc2OC)C2CC2)cc1 ZINC001459315722 1067291693 /nfs/dbraw/zinc/29/16/93/1067291693.db2.gz XIZJYEZMEJWQNK-UHFFFAOYSA-N 0 0 459.546 4.559 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)[C@@H]1COc2ccc(Br)cc21 ZINC001459316959 1067292678 /nfs/dbraw/zinc/29/26/78/1067292678.db2.gz VVEYFZGJBGMMQB-MLGOLLRUSA-N 0 0 452.732 4.633 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001459317148 1067292746 /nfs/dbraw/zinc/29/27/46/1067292746.db2.gz KUQPHDBCQBZTEV-SFHVURJKSA-N 0 0 452.938 4.775 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)CC2)n1 ZINC001453278517 1067293056 /nfs/dbraw/zinc/29/30/56/1067293056.db2.gz IKECKBLRMCIPHE-XMMPIXPASA-N 0 0 453.652 4.976 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC001459317738 1067293252 /nfs/dbraw/zinc/29/32/52/1067293252.db2.gz YCUKBPKMVSPWAT-INIZCTEOSA-N 0 0 457.983 4.570 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001459318082 1067293575 /nfs/dbraw/zinc/29/35/75/1067293575.db2.gz CLBHEJUEYXLGTG-SNVBAGLBSA-N 0 0 456.109 4.724 20 0 JJADRN CCOC(=O)[C@]1(F)CN(C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC12CCC2 ZINC001453283834 1067293665 /nfs/dbraw/zinc/29/36/65/1067293665.db2.gz UNZJOFDYPKOYMM-HXUWFJFHSA-N 0 0 456.461 4.726 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H](C(=O)OC)C2)O1 ZINC001546048830 1067294394 /nfs/dbraw/zinc/29/43/94/1067294394.db2.gz QPGSBALCELWCHK-PDSXEYIOSA-N 0 0 497.459 4.506 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001453294144 1067294990 /nfs/dbraw/zinc/29/49/90/1067294990.db2.gz YCUYNFGUNWCUGM-PMACEKPBSA-N 0 0 450.362 4.885 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001459324567 1067295055 /nfs/dbraw/zinc/29/50/55/1067295055.db2.gz IKXIWUMAJCVHRK-ONGXEEELSA-N 0 0 452.296 4.683 20 0 JJADRN CC(C)(C)N1CCC[C@H](C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)C1=O ZINC001453301470 1067295308 /nfs/dbraw/zinc/29/53/08/1067295308.db2.gz CORBETCODZDZCH-QGZVFWFLSA-N 0 0 450.461 4.699 20 0 JJADRN O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459325018 1067295310 /nfs/dbraw/zinc/29/53/10/1067295310.db2.gz QHJVWYNBPUNBSZ-QFIPXVFZSA-N 0 0 459.880 4.598 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCOC(C)(C)C2)O1 ZINC001546049293 1067295430 /nfs/dbraw/zinc/29/54/30/1067295430.db2.gz XWGUAMVRGIQLIJ-OPAMFIHVSA-N 0 0 481.410 4.810 20 0 JJADRN CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001453303174 1067295702 /nfs/dbraw/zinc/29/57/02/1067295702.db2.gz NDECWXPXVFHRSM-UHFFFAOYSA-N 0 0 459.612 4.696 20 0 JJADRN CN(CC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1)c1ccc(Cl)cn1 ZINC001453308048 1067295987 /nfs/dbraw/zinc/29/59/87/1067295987.db2.gz WOGYPHDWSDBCDV-UHFFFAOYSA-N 0 0 451.836 4.847 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(=O)OC)CC2)O1 ZINC001546049401 1067296258 /nfs/dbraw/zinc/29/62/58/1067296258.db2.gz ZFTNESLUWDCQOP-WNCULLNHSA-N 0 0 499.656 4.606 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC001453310189 1067296421 /nfs/dbraw/zinc/29/64/21/1067296421.db2.gz DGEORZUEOKCHSM-OALUTQOASA-N 0 0 458.605 4.632 20 0 JJADRN CCOc1cc(C(=O)N(CC)[C@H](C)Cc2ccsc2)ccc1OCC(=O)N1CCCCC1 ZINC001459331469 1067296997 /nfs/dbraw/zinc/29/69/97/1067296997.db2.gz PDTGVIZBROAXTI-LJQANCHMSA-N 0 0 458.624 4.631 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001453323823 1067297168 /nfs/dbraw/zinc/29/71/68/1067297168.db2.gz IVJQMBKEHGMYMB-OAQYLSRUSA-N 0 0 458.599 4.544 20 0 JJADRN Cc1ccn(-c2ccc(C(=O)N3CCC([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)CC3)cc2)n1 ZINC001453327599 1067297723 /nfs/dbraw/zinc/29/77/23/1067297723.db2.gz QZPDOJQHCRTNDE-JOCHJYFZSA-N 0 0 452.599 4.680 20 0 JJADRN CN(C)c1ccc(C2(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)CC2)cc1 ZINC001453331123 1067298078 /nfs/dbraw/zinc/29/80/78/1067298078.db2.gz HKLYFXCKQBZDRH-OAQYLSRUSA-N 0 0 455.643 4.670 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NCC3=CCN(C(=O)OC(C)(C)C)CC3)cc2s1 ZINC001459342843 1067298853 /nfs/dbraw/zinc/29/88/53/1067298853.db2.gz ZERYGWPPGPDJKT-UHFFFAOYSA-N 0 0 450.630 4.501 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)CC2=O)c1C ZINC001459342304 1067298975 /nfs/dbraw/zinc/29/89/75/1067298975.db2.gz ZGKCZONHNVGBPT-JTSKRJEESA-N 0 0 459.359 4.825 20 0 JJADRN CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346751 1067299281 /nfs/dbraw/zinc/29/92/81/1067299281.db2.gz HHJHEBQGGKDEMY-RBBKRZOGSA-N 0 0 453.385 4.850 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)C(F)(F)c2ncccc2Br)c(NC(C)C)c1 ZINC001453341540 1067299362 /nfs/dbraw/zinc/29/93/62/1067299362.db2.gz ADMHSMLTYVAAGE-UHFFFAOYSA-N 0 0 456.287 4.572 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)c(NC(C)C)c1 ZINC001453343839 1067299559 /nfs/dbraw/zinc/29/95/59/1067299559.db2.gz HQZJKIVPVRWYPN-UHFFFAOYSA-N 0 0 459.340 4.861 20 0 JJADRN CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459346747 1067299603 /nfs/dbraw/zinc/29/96/03/1067299603.db2.gz HHJHEBQGGKDEMY-IRLDBZIGSA-N 0 0 453.385 4.850 20 0 JJADRN CCN(C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc21)[C@H](C)C(=O)OC(C)(C)C ZINC001453353792 1067300199 /nfs/dbraw/zinc/30/01/99/1067300199.db2.gz FKSZGJGBHYFMOR-OAHLLOKOSA-N 0 0 454.596 4.657 20 0 JJADRN O=C(Nc1cccc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1)c1cccs1 ZINC001453358366 1067300463 /nfs/dbraw/zinc/30/04/63/1067300463.db2.gz CZJQTQZOTZJCQC-UHFFFAOYSA-N 0 0 459.449 4.657 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3Cc4ccc(NC(=O)C(F)(F)F)cc4C3)c2)c1C ZINC001453358071 1067300493 /nfs/dbraw/zinc/30/04/93/1067300493.db2.gz BBMYHGRLXREASA-UHFFFAOYSA-N 0 0 456.468 4.708 20 0 JJADRN C[C@]12CCN(C(=O)c3ncsc3-c3ccccc3)C[C@H]1C2(Br)Br ZINC001453357617 1067300528 /nfs/dbraw/zinc/30/05/28/1067300528.db2.gz NNLOHVPLIZFIMT-WBMJQRKESA-N 0 0 456.203 4.778 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001453357852 1067300536 /nfs/dbraw/zinc/30/05/36/1067300536.db2.gz OOUZVPKMMXTINF-AEFFLSMTSA-N 0 0 458.238 4.891 20 0 JJADRN C[C@]12CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C[C@H]1C2(Br)Br ZINC001453360162 1067300940 /nfs/dbraw/zinc/30/09/40/1067300940.db2.gz VRSIKPODYMEYDO-ZBFHGGJFSA-N 0 0 473.596 4.698 20 0 JJADRN C[C@]12CCN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)C[C@H]1C2(Br)Br ZINC001453368874 1067301434 /nfs/dbraw/zinc/30/14/34/1067301434.db2.gz OOYBZGTUUSBYMF-VMGRFDJRSA-N 0 0 476.640 4.521 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 ZINC001459352305 1067301537 /nfs/dbraw/zinc/30/15/37/1067301537.db2.gz IQSRODWKGNVLLK-CQSZACIVSA-N 0 0 455.732 4.690 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC(Oc3ccccc3)CC2)c2ccccc2)cc1 ZINC001459353550 1067301705 /nfs/dbraw/zinc/30/17/05/1067301705.db2.gz ALWCFQBXUVOMJF-SANMLTNESA-N 0 0 450.604 4.558 20 0 JJADRN O=C(Nc1ccc2c(c1)CN(C(=O)c1cc(-c3cccc(Cl)c3F)no1)C2)C(F)(F)F ZINC001453372437 1067301829 /nfs/dbraw/zinc/30/18/29/1067301829.db2.gz HDZQRMMCKXDVNE-UHFFFAOYSA-N 0 0 453.779 4.791 20 0 JJADRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361021 1067302895 /nfs/dbraw/zinc/30/28/95/1067302895.db2.gz BWWIZKNWQMNEBH-WIYYLYMNSA-N 0 0 456.656 4.718 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N[C@](C)(CC(=O)OC)c1ccccn1 ZINC001459361162 1067302992 /nfs/dbraw/zinc/30/29/92/1067302992.db2.gz BEOOIPGTYNEMKR-JOCHJYFZSA-N 0 0 451.489 4.545 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 ZINC001453392424 1067303169 /nfs/dbraw/zinc/30/31/69/1067303169.db2.gz FDAFTWQXJWCTBB-OAQYLSRUSA-N 0 0 451.592 4.569 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c(Cl)c1 ZINC001459362937 1067303388 /nfs/dbraw/zinc/30/33/88/1067303388.db2.gz OSTLLGCNLSTUQS-UHFFFAOYSA-N 0 0 459.978 4.635 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001453395785 1067303511 /nfs/dbraw/zinc/30/35/11/1067303511.db2.gz DFUNQYDSNKPQOC-PMACEKPBSA-N 0 0 457.368 4.564 20 0 JJADRN CCN(C)[C@H](C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001453395322 1067303626 /nfs/dbraw/zinc/30/36/26/1067303626.db2.gz GVERJWIKJPQOJY-GOTSBHOMSA-N 0 0 453.583 4.627 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC001453398548 1067304009 /nfs/dbraw/zinc/30/40/09/1067304009.db2.gz JYAGCZAPSOYBDB-SFHVURJKSA-N 0 0 450.760 4.952 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC001453397770 1067304101 /nfs/dbraw/zinc/30/41/01/1067304101.db2.gz ILBOSPDSUUNFFZ-LGVFNWMJSA-N 0 0 477.605 4.583 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)CCc2cc(Br)c(Br)s2)c1 ZINC001459367048 1067304319 /nfs/dbraw/zinc/30/43/19/1067304319.db2.gz IQMJRIQGLLZQLO-UHFFFAOYSA-N 0 0 452.599 4.879 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CCOCC1 ZINC001459366956 1067304348 /nfs/dbraw/zinc/30/43/48/1067304348.db2.gz HWTDMMQPOMFWAJ-QFIPXVFZSA-N 0 0 459.480 4.631 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CSc2nncn2-c2cccc(Cl)c2)CO1 ZINC001453405548 1067304640 /nfs/dbraw/zinc/30/46/40/1067304640.db2.gz ZRBGTJHDJUYOET-HXUWFJFHSA-N 0 0 456.999 4.609 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C1 ZINC001546108396 1067304720 /nfs/dbraw/zinc/30/47/20/1067304720.db2.gz ATZSQWYQXVUMGP-IBGZPJMESA-N 0 0 481.707 4.746 20 0 JJADRN CC[S@@](=O)c1ccccc1C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001453420654 1067305276 /nfs/dbraw/zinc/30/52/76/1067305276.db2.gz VJQJRPHBMRACSJ-AREMUKBSSA-N 0 0 454.239 4.867 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC001459370802 1067305275 /nfs/dbraw/zinc/30/52/75/1067305275.db2.gz FLEZXFNDRVXZCE-OAHLLOKOSA-N 0 0 455.308 4.778 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546050796 1067305304 /nfs/dbraw/zinc/30/53/04/1067305304.db2.gz BSIKWWOEQVQYOP-DMJCMNNJSA-N 0 0 461.651 4.729 20 0 JJADRN COc1cccc(OC)c1CC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459372443 1067305734 /nfs/dbraw/zinc/30/57/34/1067305734.db2.gz WANUABJDNKUJRN-UHFFFAOYSA-N 0 0 459.315 4.776 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)c1cc2c(cccc2F)s1 ZINC001459371000 1067305744 /nfs/dbraw/zinc/30/57/44/1067305744.db2.gz RVSQWEVHUZAYEO-UHFFFAOYSA-N 0 0 455.374 4.643 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001459373625 1067306267 /nfs/dbraw/zinc/30/62/67/1067306267.db2.gz KEJFGQWLSZSTAO-UHFFFAOYSA-N 0 0 459.417 4.700 20 0 JJADRN COCCN(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459373361 1067306301 /nfs/dbraw/zinc/30/63/01/1067306301.db2.gz BEOAVSMRQLMKAD-JKSUJKDBSA-N 0 0 458.471 4.740 20 0 JJADRN O=C(CSc1cc(Cl)ccc1Cl)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453436665 1067306292 /nfs/dbraw/zinc/30/62/92/1067306292.db2.gz ILXKGDZDHMUMAA-INIZCTEOSA-N 0 0 459.420 4.518 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001459377101 1067307094 /nfs/dbraw/zinc/30/70/94/1067307094.db2.gz OMGVGXMBQVDXDB-INIZCTEOSA-N 0 0 459.974 4.979 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC001459377221 1067307145 /nfs/dbraw/zinc/30/71/45/1067307145.db2.gz JUYFYZJMNVPQAR-KRWDZBQOSA-N 0 0 454.361 4.993 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001459377115 1067307179 /nfs/dbraw/zinc/30/71/79/1067307179.db2.gz OMGVGXMBQVDXDB-MRXNPFEDSA-N 0 0 459.974 4.979 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC001459376351 1067307321 /nfs/dbraw/zinc/30/73/21/1067307321.db2.gz FLIASOUTYKOXNY-HNNXBMFYSA-N 0 0 456.486 4.501 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)c(=O)[nH]1 ZINC001453459547 1067307203 /nfs/dbraw/zinc/30/72/03/1067307203.db2.gz FXEOVCGOVBOVAU-UHFFFAOYSA-N 0 0 458.341 4.925 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546108439 1067307693 /nfs/dbraw/zinc/30/76/93/1067307693.db2.gz BMZVBVKIFPJGPO-NHCUHLMSSA-N 0 0 475.678 4.836 20 0 JJADRN COc1ccc(NC(C)=O)cc1N(C(=O)CSc1ccccc1Br)C(C)C ZINC001459378838 1067307749 /nfs/dbraw/zinc/30/77/49/1067307749.db2.gz QPLQYIDCKDDIND-UHFFFAOYSA-N 0 0 451.386 4.950 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001453479063 1067308053 /nfs/dbraw/zinc/30/80/53/1067308053.db2.gz MGQUFKFANZMVII-FCHUYYIVSA-N 0 0 454.542 4.551 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480367 1067308189 /nfs/dbraw/zinc/30/81/89/1067308189.db2.gz VCMFJVSYTQZGHI-BCHFMIIMSA-N 0 0 458.599 4.685 20 0 JJADRN Cc1cc(F)ccc1-n1cc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)nn1 ZINC001459379289 1067308290 /nfs/dbraw/zinc/30/82/90/1067308290.db2.gz VZTUIYVQPREUBG-UHFFFAOYSA-N 0 0 457.347 4.671 20 0 JJADRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001459380688 1067308577 /nfs/dbraw/zinc/30/85/77/1067308577.db2.gz UMGHAXKESLWNIB-UHFFFAOYSA-N 0 0 459.015 4.799 20 0 JJADRN CC[C@H](C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc(Br)cc1 ZINC001453482057 1067308525 /nfs/dbraw/zinc/30/85/25/1067308525.db2.gz SMRSFJRAOZFUFV-UXHICEINSA-N 0 0 451.792 4.618 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546108451 1067308630 /nfs/dbraw/zinc/30/86/30/1067308630.db2.gz BQLPFOKFCFTOEL-NQIIRXRSSA-N 0 0 461.601 4.770 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)O1 ZINC001546051773 1067309513 /nfs/dbraw/zinc/30/95/13/1067309513.db2.gz ONWYFIUTMJQHJU-KNQAVFIVSA-N 0 0 462.520 4.867 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(Cc2ccc(F)cc2)c2cncc(C)c2)c1 ZINC001459383508 1067309672 /nfs/dbraw/zinc/30/96/72/1067309672.db2.gz COTGHIXAMSXSQJ-UHFFFAOYSA-N 0 0 457.299 4.925 20 0 JJADRN COc1ccc(F)cc1-c1cncc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC001459385103 1067309797 /nfs/dbraw/zinc/30/97/97/1067309797.db2.gz KIIOXRNPOIKFGP-UHFFFAOYSA-N 0 0 457.908 4.647 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCC[C@@](O)(c2ccccc2)C1 ZINC001453497145 1067309939 /nfs/dbraw/zinc/30/99/39/1067309939.db2.gz YFNVTDLYJKGVBW-QHCPKHFHSA-N 0 0 455.352 4.790 20 0 JJADRN O=C(c1ccccc1OCc1ccc(F)cc1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC001453531499 1067311164 /nfs/dbraw/zinc/31/11/64/1067311164.db2.gz ANBKBOPHYONNLD-UHFFFAOYSA-N 0 0 456.311 4.511 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001453534104 1067311304 /nfs/dbraw/zinc/31/13/04/1067311304.db2.gz JEGUPNGQSIZRTR-PZJWPPBQSA-N 0 0 458.942 4.874 20 0 JJADRN COc1cccc([C@H](C)CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453536444 1067311668 /nfs/dbraw/zinc/31/16/68/1067311668.db2.gz CKSVWLIMRROPAC-SZVBFZGTSA-N 0 0 458.521 4.741 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC(NC(C)=O)CC3)n2)cc1 ZINC001459394214 1067311766 /nfs/dbraw/zinc/31/17/66/1067311766.db2.gz QLPPKMZXSGUQBK-GOSISDBHSA-N 0 0 456.656 4.860 20 0 JJADRN COc1cccc([C@H](C)CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453536428 1067311751 /nfs/dbraw/zinc/31/17/51/1067311751.db2.gz CKSVWLIMRROPAC-SUMDDJOVSA-N 0 0 458.521 4.741 20 0 JJADRN COc1cccc([C@H](C)CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453536413 1067311818 /nfs/dbraw/zinc/31/18/18/1067311818.db2.gz CKSVWLIMRROPAC-HHXXYDBFSA-N 0 0 458.521 4.741 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)CC[C@H]1C(F)(F)F ZINC001453537843 1067312083 /nfs/dbraw/zinc/31/20/83/1067312083.db2.gz DIEZORLBBFELNG-DEXNDLTESA-N 0 0 454.480 4.754 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001453541537 1067312376 /nfs/dbraw/zinc/31/23/76/1067312376.db2.gz RSCOSMZSWVJXAO-CJNGLKHVSA-N 0 0 459.324 4.630 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001453541541 1067312552 /nfs/dbraw/zinc/31/25/52/1067312552.db2.gz RSCOSMZSWVJXAO-CZUORRHYSA-N 0 0 459.324 4.630 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453544977 1067312927 /nfs/dbraw/zinc/31/29/27/1067312927.db2.gz NMTPGYSXRJQHHT-BZSNNMDCSA-N 0 0 458.521 4.704 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453547601 1067313178 /nfs/dbraw/zinc/31/31/78/1067313178.db2.gz YHSGSYGRVDWCTG-MOPGFXCFSA-N 0 0 458.521 4.777 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Br)cc2)O1 ZINC001546052620 1067313199 /nfs/dbraw/zinc/31/31/99/1067313199.db2.gz ZORXRASTLZZVAM-AUSIDOKSSA-N 0 0 485.430 4.524 20 0 JJADRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001459399117 1067313288 /nfs/dbraw/zinc/31/32/88/1067313288.db2.gz ALBOTOOLRLRGIC-FSSWDIPSSA-N 0 0 456.631 4.678 20 0 JJADRN COc1ccccc1C(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001453552603 1067314434 /nfs/dbraw/zinc/31/44/34/1067314434.db2.gz YUPYDJYGGAFPCC-JKSUJKDBSA-N 0 0 458.521 4.525 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453554356 1067314607 /nfs/dbraw/zinc/31/46/07/1067314607.db2.gz WBKVPKAVFOBKJC-MRXNPFEDSA-N 0 0 453.421 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC001453573343 1067314917 /nfs/dbraw/zinc/31/49/17/1067314917.db2.gz BDFGYTUZAFMXPN-VQTJNVASSA-N 0 0 464.484 4.604 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1Br ZINC001453574155 1067315151 /nfs/dbraw/zinc/31/51/51/1067315151.db2.gz DIINKDTXUASESH-PZJWPPBQSA-N 0 0 473.411 4.819 20 0 JJADRN CCC1(CC)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCOC2)C1 ZINC001546108670 1067315188 /nfs/dbraw/zinc/31/51/88/1067315188.db2.gz IJAOIFRUGZKMIP-FQEVSTJZSA-N 0 0 475.678 4.836 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[C@@H](C)C1 ZINC001459409561 1067315203 /nfs/dbraw/zinc/31/52/03/1067315203.db2.gz RBUQJJLXOGOHCL-YQQAZPJKSA-N 0 0 457.621 4.712 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Oc3cnc4c(Br)cccc4c3)CCC2=O)c1 ZINC001459409685 1067315322 /nfs/dbraw/zinc/31/53/22/1067315322.db2.gz GCLNAJBVKRNNIU-UHFFFAOYSA-N 0 0 452.308 4.703 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453575105 1067315338 /nfs/dbraw/zinc/31/53/38/1067315338.db2.gz FSLJVXGGKVMDOZ-HYPCABPSSA-N 0 0 458.643 4.983 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c2c(n1)onc2C(C)C ZINC001453573990 1067315419 /nfs/dbraw/zinc/31/54/19/1067315419.db2.gz COKCLYKKILHBLE-VQTJNVASSA-N 0 0 464.566 4.788 20 0 JJADRN C[Si](C)(C)c1ccc(CCNC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)cc1 ZINC001453578807 1067315589 /nfs/dbraw/zinc/31/55/89/1067315589.db2.gz YDHNAOMJXHATMW-UHFFFAOYSA-N 0 0 452.652 4.600 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)C1 ZINC001546108691 1067315586 /nfs/dbraw/zinc/31/55/86/1067315586.db2.gz JCQSHUAQNZRTGL-MOPGFXCFSA-N 0 0 497.631 4.833 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCC1CC(c2ccccc2)C1 ZINC001459410485 1067315764 /nfs/dbraw/zinc/31/57/64/1067315764.db2.gz VJQNYUYUNUGICN-UHFFFAOYSA-N 0 0 455.723 4.877 20 0 JJADRN Cc1csc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1Br ZINC001453581174 1067316111 /nfs/dbraw/zinc/31/61/11/1067316111.db2.gz NCQMHNGXFXQJCI-JKSUJKDBSA-N 0 0 465.413 4.952 20 0 JJADRN Cc1ccccc1CC(=O)N1CCN([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001459411357 1067316237 /nfs/dbraw/zinc/31/62/37/1067316237.db2.gz DCZXJYYTJQEOTE-MRXNPFEDSA-N 0 0 459.377 4.800 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2)c(C)c1 ZINC001459411830 1067316823 /nfs/dbraw/zinc/31/68/23/1067316823.db2.gz KICXHOIKAJOLMY-SFHVURJKSA-N 0 0 458.628 4.520 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@]3(CO)CCCC(C)(C)C3)ccc21 ZINC001453589233 1067316907 /nfs/dbraw/zinc/31/69/07/1067316907.db2.gz WIEVJVXICAEVBH-AREMUKBSSA-N 0 0 457.615 4.617 20 0 JJADRN COc1cc(/C=C(\C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccccc2)ccc1O ZINC001453596663 1067317161 /nfs/dbraw/zinc/31/71/61/1067317161.db2.gz MNFJFLWVIFFMQQ-LZQDABRUSA-N 0 0 451.563 4.768 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412945 1067317101 /nfs/dbraw/zinc/31/71/01/1067317101.db2.gz CLXZBGFFHVXNJX-RDTXWAMCSA-N 0 0 455.393 4.503 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C3)c2C(F)(F)F)cc1 ZINC001453601910 1067317369 /nfs/dbraw/zinc/31/73/69/1067317369.db2.gz WGNBOCWHJXOWEC-NVXWUHKLSA-N 0 0 451.489 4.639 20 0 JJADRN Cc1cc(Br)c(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)s1 ZINC001453600490 1067317591 /nfs/dbraw/zinc/31/75/91/1067317591.db2.gz HEHQHMMGGDEYRG-UHFFFAOYSA-N 0 0 456.159 4.765 20 0 JJADRN CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cc(Br)cc(Br)c2)c1 ZINC001453604202 1067317743 /nfs/dbraw/zinc/31/77/43/1067317743.db2.gz ADWHKIFUTZZUIW-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)s1 ZINC001453603826 1067317761 /nfs/dbraw/zinc/31/77/61/1067317761.db2.gz QECAYNGIDPZCOP-UHFFFAOYSA-N 0 0 459.365 4.865 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CCCCC2)O1 ZINC001546053376 1067317986 /nfs/dbraw/zinc/31/79/86/1067317986.db2.gz AAKWHBBFUJRRFG-LZCXECNNSA-N 0 0 491.677 4.703 20 0 JJADRN O=C(Cc1cccc(Cl)c1Cl)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453604666 1067318234 /nfs/dbraw/zinc/31/82/34/1067318234.db2.gz LPNDYCPRIHIUBC-OAHLLOKOSA-N 0 0 451.316 4.575 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)O1 ZINC001546053417 1067318249 /nfs/dbraw/zinc/31/82/49/1067318249.db2.gz AJSUNVDIQGYJEG-XMSQKQJNSA-N 0 0 463.395 4.845 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c(OC)c1 ZINC001459414966 1067318452 /nfs/dbraw/zinc/31/84/52/1067318452.db2.gz NADXYDOCZBSBAW-LAUBAEHRSA-N 0 0 450.457 4.579 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)CC2)s1 ZINC001453607299 1067318586 /nfs/dbraw/zinc/31/85/86/1067318586.db2.gz YSOHMHMMNTUEFI-UHFFFAOYSA-N 0 0 450.560 4.979 20 0 JJADRN C[C@H](c1ncc(-c2ccccc2)o1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001459415674 1067318553 /nfs/dbraw/zinc/31/85/53/1067318553.db2.gz IQPXTVKFXWXFQC-OAHLLOKOSA-N 0 0 452.001 4.514 20 0 JJADRN CN(C[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1)C(=O)OC(C)(C)C ZINC001459416716 1067318996 /nfs/dbraw/zinc/31/89/96/1067318996.db2.gz UWPXVUKAUXJWDC-QFIPXVFZSA-N 0 0 457.659 4.584 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccc(Cl)cc2)O1 ZINC001546053468 1067318942 /nfs/dbraw/zinc/31/89/42/1067318942.db2.gz BATUGZVKLVLBQP-RDGATRHJSA-N 0 0 470.017 4.780 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)cc1 ZINC001459417359 1067319083 /nfs/dbraw/zinc/31/90/83/1067319083.db2.gz YDHGDEVKQIEHEC-QFIPXVFZSA-N 0 0 450.608 4.896 20 0 JJADRN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N(Cc1ccccc1F)CC1CC1 ZINC001453620503 1067319374 /nfs/dbraw/zinc/31/93/74/1067319374.db2.gz SAABXHPGNDYPLA-UHFFFAOYSA-N 0 0 456.514 4.818 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546053624 1067319454 /nfs/dbraw/zinc/31/94/54/1067319454.db2.gz DAZRBLDZDZVMIY-NTKDMRAZSA-N 0 0 497.631 4.976 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(OC)c3)C2)O1 ZINC001546053563 1067319560 /nfs/dbraw/zinc/31/95/60/1067319560.db2.gz CHKMBELWZIAMEY-TVZXLZGTSA-N 0 0 456.631 4.801 20 0 JJADRN CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001453622881 1067319628 /nfs/dbraw/zinc/31/96/28/1067319628.db2.gz ZHPDWIIYTHUCQF-UHFFFAOYSA-N 0 0 453.539 4.582 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCc2c(Br)cccc2C1 ZINC001459418549 1067319558 /nfs/dbraw/zinc/31/95/58/1067319558.db2.gz LVVKUQRHQNZVAD-UHFFFAOYSA-N 0 0 453.384 4.557 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@H](C)C1 ZINC001459418257 1067319640 /nfs/dbraw/zinc/31/96/40/1067319640.db2.gz YKTKFTVWFZCCOH-OAQYLSRUSA-N 0 0 451.611 4.725 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3cn(C)nc3-c3ccco3)cc2Br)on1 ZINC001453634894 1067319811 /nfs/dbraw/zinc/31/98/11/1067319811.db2.gz NZCKYUCVXNAANO-UHFFFAOYSA-N 0 0 457.284 4.570 20 0 JJADRN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC001453639784 1067319936 /nfs/dbraw/zinc/31/99/36/1067319936.db2.gz ISTZBTIYTRHOOC-UHFFFAOYSA-N 0 0 456.489 4.695 20 0 JJADRN O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001453636169 1067320031 /nfs/dbraw/zinc/32/00/31/1067320031.db2.gz KWRBZYPNESCWBN-QFIPXVFZSA-N 0 0 455.967 4.807 20 0 JJADRN COc1cc2cc(C(=O)N[C@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)[nH]c2cc1OC ZINC001453634454 1067320057 /nfs/dbraw/zinc/32/00/57/1067320057.db2.gz FNCKJNJHHUUKNC-SFHVURJKSA-N 0 0 451.523 4.949 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccnc2OC)C1 ZINC001546108719 1067319916 /nfs/dbraw/zinc/31/99/16/1067319916.db2.gz JMZKYTWGQIYORU-FQEVSTJZSA-N 0 0 498.672 4.861 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CCC1 ZINC001453646365 1067320225 /nfs/dbraw/zinc/32/02/25/1067320225.db2.gz YOTJETIIYUGPDV-IBGZPJMESA-N 0 0 459.587 4.927 20 0 JJADRN C[C@H]1CC(=O)Nc2ccc(C(=O)N[C@@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)cc2N1 ZINC001453645731 1067320242 /nfs/dbraw/zinc/32/02/42/1067320242.db2.gz VKLGEFRCDXYVNR-IFXJQAMLSA-N 0 0 450.539 4.594 20 0 JJADRN Cn1ccnc1[C@H](CC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)C(F)(F)F ZINC001453644452 1067320370 /nfs/dbraw/zinc/32/03/70/1067320370.db2.gz SLFLILKPUKWWRK-DLBZAZTESA-N 0 0 452.477 4.607 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)O1 ZINC001546053733 1067320820 /nfs/dbraw/zinc/32/08/20/1067320820.db2.gz FCCPVUNQDMWHLH-VAXXYWNWSA-N 0 0 464.557 4.758 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001459422474 1067320887 /nfs/dbraw/zinc/32/08/87/1067320887.db2.gz YPRVCNHHMZJJOP-SFNKJDCFSA-N 0 0 454.011 4.709 20 0 JJADRN Cc1cc([C@H](CC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001459422478 1067321008 /nfs/dbraw/zinc/32/10/08/1067321008.db2.gz YPRVCNHHMZJJOP-ZMMAXQRCSA-N 0 0 454.011 4.709 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](c4cccc(Cl)c4)[C@@H]3C)[nH]n2)c1C ZINC001453674785 1067321229 /nfs/dbraw/zinc/32/12/29/1067321229.db2.gz IMIGOLKIRAHQJO-GAJHUEQPSA-N 0 0 455.990 4.946 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@H]3CC(=O)N(CC)[C@@H]3c3cccnc3)nc21 ZINC001459423767 1067321858 /nfs/dbraw/zinc/32/18/58/1067321858.db2.gz PTSPMUAEOPSMEL-HNAYVOBHSA-N 0 0 473.396 4.564 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453682600 1067321942 /nfs/dbraw/zinc/32/19/42/1067321942.db2.gz NHHYSNLUHKXRJN-YCZSJOHXSA-N 0 0 476.442 4.843 20 0 JJADRN CC(C)c1cccc2c1N(C(=O)C1=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C1)C(C)(C)C[C@H]2C ZINC001459423643 1067321908 /nfs/dbraw/zinc/32/19/08/1067321908.db2.gz CXMOACAKRNWNRE-OPAMFIHVSA-N 0 0 450.558 4.688 20 0 JJADRN O=C(OCc1c(F)ccc(Br)c1F)c1cc2c(c(Br)c1)OCO2 ZINC001459424501 1067322226 /nfs/dbraw/zinc/32/22/26/1067322226.db2.gz DUKYZJUQEFHTKD-UHFFFAOYSA-N 0 0 450.029 4.576 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546053923 1067323095 /nfs/dbraw/zinc/32/30/95/1067323095.db2.gz HAPSJSIRSKJPMJ-JPYJTQIMSA-N 0 0 497.453 4.725 20 0 JJADRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001459429598 1067324003 /nfs/dbraw/zinc/32/40/03/1067324003.db2.gz ULYPXSWOWQJPAV-PRHODGIISA-N 0 0 452.782 4.575 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cs1 ZINC001453710886 1067324163 /nfs/dbraw/zinc/32/41/63/1067324163.db2.gz HUDRKIRTGDXHTQ-MRXNPFEDSA-N 0 0 457.596 4.729 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC001453720943 1067324267 /nfs/dbraw/zinc/32/42/67/1067324267.db2.gz UYAIVIYNRVMSKD-QHCPKHFHSA-N 0 0 450.579 4.714 20 0 JJADRN Brc1cccc([C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)c1 ZINC001459433926 1067324342 /nfs/dbraw/zinc/32/43/42/1067324342.db2.gz NRMCWJDRHCGGSP-SFHVURJKSA-N 0 0 455.146 4.514 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)O1 ZINC001546054055 1067324350 /nfs/dbraw/zinc/32/43/50/1067324350.db2.gz JCMKHRGAZDYLAE-RLWLMLJZSA-N 0 0 455.647 4.966 20 0 JJADRN CC(C)c1c(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001453721705 1067324527 /nfs/dbraw/zinc/32/45/27/1067324527.db2.gz SVHJHZWQPIABPK-RTBURBONSA-N 0 0 464.969 4.726 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC001546054358 1067324667 /nfs/dbraw/zinc/32/46/67/1067324667.db2.gz MYAZZRIZYIWEOO-GJZUVCINSA-N 0 0 488.076 4.830 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001453722513 1067324787 /nfs/dbraw/zinc/32/47/87/1067324787.db2.gz YCMVTJNBAFRDAA-HXUWFJFHSA-N 0 0 454.357 4.784 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC001546054359 1067324806 /nfs/dbraw/zinc/32/48/06/1067324806.db2.gz MYAZZRIZYIWEOO-NVQXNPDNSA-N 0 0 488.076 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC001453736783 1067325352 /nfs/dbraw/zinc/32/53/52/1067325352.db2.gz NYCCIWMHUBNCCW-IRLDBZIGSA-N 0 0 450.535 4.549 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)O1 ZINC001546054413 1067325532 /nfs/dbraw/zinc/32/55/32/1067325532.db2.gz NTCCCIBEYLJMJZ-KSFYIVLOSA-N 0 0 466.552 4.586 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC001546054425 1067325667 /nfs/dbraw/zinc/32/56/67/1067325667.db2.gz NVGJZCNNBBYNNM-AMGIVPHBSA-N 0 0 467.658 4.743 20 0 JJADRN CC(=O)N(c1nc(CN(CCCO)CC(F)(F)F)cs1)c1ccc(C(F)(F)F)cc1 ZINC001459444269 1067325857 /nfs/dbraw/zinc/32/58/57/1067325857.db2.gz HHBZJRVRBNHFEY-UHFFFAOYSA-N 0 0 455.424 4.593 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc2ccc(Cl)cc2n1 ZINC001459444498 1067325989 /nfs/dbraw/zinc/32/59/89/1067325989.db2.gz FMMXIAZAKPGXJG-UHFFFAOYSA-N 0 0 450.695 4.548 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@@H](O)COc1cccc2ccccc21 ZINC001459444715 1067326017 /nfs/dbraw/zinc/32/60/17/1067326017.db2.gz CXXJOAWASRSYGW-LJQANCHMSA-N 0 0 453.489 4.818 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC001453742167 1067326161 /nfs/dbraw/zinc/32/61/61/1067326161.db2.gz VCJKBHJFBDOZQO-OAQYLSRUSA-N 0 0 455.603 4.607 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1ccc2ccc(Cl)cc2n1 ZINC001459450664 1067326321 /nfs/dbraw/zinc/32/63/21/1067326321.db2.gz OKDSIBUBTIHRGH-UHFFFAOYSA-N 0 0 452.679 4.900 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1cc(Br)cs1)c1ccc(Br)cc1 ZINC001453744385 1067326477 /nfs/dbraw/zinc/32/64/77/1067326477.db2.gz QLGKQEGVHVGFFX-AWEZNQCLSA-N 0 0 455.175 4.526 20 0 JJADRN COc1cc(NC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)ccc1OC(F)F ZINC001453744717 1067326522 /nfs/dbraw/zinc/32/65/22/1067326522.db2.gz JPIUNXJOQSEKGW-UHFFFAOYSA-N 0 0 450.825 4.969 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N(OC)[C@H](C)c3cccc(C(F)(F)F)c3)cc21 ZINC001453745751 1067326844 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/nfs/dbraw/zinc/32/74/05/1067327405.db2.gz PNGMTQVXCKZABS-DBXWQHBBSA-N 0 0 472.939 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC001453763703 1067327484 /nfs/dbraw/zinc/32/74/84/1067327484.db2.gz ABVXYTCXQHDPFA-QZTJIDSGSA-N 0 0 455.368 4.538 20 0 JJADRN O=C1[C@H](N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455498 1067327822 /nfs/dbraw/zinc/32/78/22/1067327822.db2.gz LKPGLJOKVLKPKO-RTWAWAEBSA-N 0 0 452.904 4.910 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3n[nH]c(C(F)(F)F)c3-c3ccccc3)c(C)c12 ZINC001453773182 1067329050 /nfs/dbraw/zinc/32/90/50/1067329050.db2.gz QVSJROTUHGXEPE-UHFFFAOYSA-N 0 0 456.472 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)C(C)(C)C1 ZINC001453777163 1067329384 /nfs/dbraw/zinc/32/93/84/1067329384.db2.gz XWYDJUWNNAZFIL-CQSZACIVSA-N 0 0 452.477 4.927 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2cccc(COC)c2)cc1 ZINC001459460570 1067329484 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ZINC001459519077 1067343437 /nfs/dbraw/zinc/34/34/37/1067343437.db2.gz VTQRCYQNKBBMBV-GOSISDBHSA-N 0 0 459.249 4.696 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520851 1067343504 /nfs/dbraw/zinc/34/35/04/1067343504.db2.gz YAPVWPFPBOVPMM-IBGZPJMESA-N 0 0 456.656 4.575 20 0 JJADRN COc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c(OC)c(C)c1OC ZINC001459519599 1067343579 /nfs/dbraw/zinc/34/35/79/1067343579.db2.gz MAKLFNPJOOPYCO-UHFFFAOYSA-N 0 0 452.536 4.592 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1 ZINC001459521508 1067343797 /nfs/dbraw/zinc/34/37/97/1067343797.db2.gz XIDOAKCULULIDK-RUZDIDTESA-N 0 0 458.599 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)C(C)(C)C1 ZINC001459522275 1067343888 /nfs/dbraw/zinc/34/38/88/1067343888.db2.gz BEFMPJGHJNDVMG-KRWDZBQOSA-N 0 0 451.539 4.854 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)c(OC)c1 ZINC001459523226 1067344284 /nfs/dbraw/zinc/34/42/84/1067344284.db2.gz SYMITCWWHLVZGI-UHFFFAOYSA-N 0 0 451.567 4.858 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@H](c3ccccn3)C2)c1)c1ccc(Br)cc1 ZINC001459523791 1067344346 /nfs/dbraw/zinc/34/43/46/1067344346.db2.gz HMYMZWFOPNYZJD-SFHVURJKSA-N 0 0 450.336 4.726 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)C(C)(C)C ZINC001459528127 1067345543 /nfs/dbraw/zinc/34/55/43/1067345543.db2.gz VECROPCHXBVKBX-OAHLLOKOSA-N 0 0 452.646 4.627 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl ZINC001459528481 1067345582 /nfs/dbraw/zinc/34/55/82/1067345582.db2.gz PPKVCKGQWJCRBW-IBGZPJMESA-N 0 0 451.972 4.830 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Cl)c3ccncc23)c1 ZINC001459531454 1067346290 /nfs/dbraw/zinc/34/62/90/1067346290.db2.gz TZZNXJOKRSOKFJ-OAQYLSRUSA-N 0 0 455.942 4.971 20 0 JJADRN Cn1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc2cc(C(F)(F)F)ccc21 ZINC001459532766 1067346706 /nfs/dbraw/zinc/34/67/06/1067346706.db2.gz ZCXQVLSANOHGEJ-GOSISDBHSA-N 0 0 453.505 4.963 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC001459534025 1067347089 /nfs/dbraw/zinc/34/70/89/1067347089.db2.gz OXAGPTOPMSATBQ-UHFFFAOYSA-N 0 0 457.324 4.881 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N(C)c3ccc(C(F)(F)F)cc3Cl)cn2)cc1OC ZINC001459542908 1067348226 /nfs/dbraw/zinc/34/82/26/1067348226.db2.gz UMUBQEMOPFJILF-UHFFFAOYSA-N 0 0 453.848 4.897 20 0 JJADRN CC(C)CC1(C(=O)NC[C@@H]2CCCN2Cc2ccc(I)cc2)CCC1 ZINC001459546494 1067348444 /nfs/dbraw/zinc/34/84/44/1067348444.db2.gz GTTOCUUEIIVAPS-IBGZPJMESA-N 0 0 454.396 4.588 20 0 JJADRN CC1(C)C(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C1(C)C ZINC001459546721 1067348520 /nfs/dbraw/zinc/34/85/20/1067348520.db2.gz IKICJMNBBMUTQC-UHFFFAOYSA-N 0 0 450.839 4.987 20 0 JJADRN COC(=O)c1cc(Br)c(CN2CCSC[C@@H]2c2ccc(C)cc2)cc1OC ZINC001459552460 1067349366 /nfs/dbraw/zinc/34/93/66/1067349366.db2.gz DTZPGYMOJOOTOG-LJQANCHMSA-N 0 0 450.398 4.843 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1sc(C2CCC2)nc1C ZINC001459552357 1067349394 /nfs/dbraw/zinc/34/93/94/1067349394.db2.gz XDGQOCKZDZXZRY-UHFFFAOYSA-N 0 0 454.423 4.733 20 0 JJADRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)Cc1nccn1Cc1ccccc1 ZINC001459555059 1067350204 /nfs/dbraw/zinc/35/02/04/1067350204.db2.gz LBMURWXJTCQIHD-JOCHJYFZSA-N 0 0 454.574 4.969 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1I ZINC001459557158 1067350275 /nfs/dbraw/zinc/35/02/75/1067350275.db2.gz IBORJNYCUVASJS-UHFFFAOYSA-N 0 0 457.724 4.967 20 0 JJADRN COc1ccc(C(=O)C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1Cl ZINC001459558578 1067350775 /nfs/dbraw/zinc/35/07/75/1067350775.db2.gz WKYXILJKBQDGJO-UHFFFAOYSA-N 0 0 459.823 4.917 20 0 JJADRN C[C@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@@H](C(F)(F)F)O1 ZINC001459559636 1067351441 /nfs/dbraw/zinc/35/14/41/1067351441.db2.gz HHTVXXPXMFMHKO-ZBEGNZNMSA-N 0 0 456.262 4.804 20 0 JJADRN CCN(CC1CC[NH+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1)C(=O)OC(C)(C)C ZINC001459563512 1067352277 /nfs/dbraw/zinc/35/22/77/1067352277.db2.gz ROPPEDBWSXLRIM-UHFFFAOYSA-N 0 0 450.963 4.621 20 0 JJADRN CC(C)[C@@H](CCN(C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566919 1067354102 /nfs/dbraw/zinc/35/41/02/1067354102.db2.gz WUGJSFLGUFDMBN-OAHLLOKOSA-N 0 0 452.646 4.681 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)C1 ZINC001459567802 1067354239 /nfs/dbraw/zinc/35/42/39/1067354239.db2.gz FRIZEZOCYGNDER-QFIPXVFZSA-N 0 0 452.382 4.598 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001459574314 1067355362 /nfs/dbraw/zinc/35/53/62/1067355362.db2.gz ZOHYXNFLEMKGAM-AATRIKPKSA-N 0 0 450.507 4.979 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1cc(I)ccc1F ZINC001459576797 1067355932 /nfs/dbraw/zinc/35/59/32/1067355932.db2.gz XVXCQDGHCRAVTA-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459580546 1067356497 /nfs/dbraw/zinc/35/64/97/1067356497.db2.gz BNLQAIDRSOPXIW-UHFFFAOYSA-N 0 0 455.205 4.899 20 0 JJADRN O=C(c1c(Cl)oc2ccccc21)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459583806 1067357130 /nfs/dbraw/zinc/35/71/30/1067357130.db2.gz HMLYLZCAPFQVIQ-UHFFFAOYSA-N 0 0 451.723 4.946 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001459590504 1067359099 /nfs/dbraw/zinc/35/90/99/1067359099.db2.gz RSAYKDUMOIATMR-QKKBWIMNSA-N 0 0 455.313 4.887 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001459594156 1067359416 /nfs/dbraw/zinc/35/94/16/1067359416.db2.gz YIZUEGRVNGMPNZ-JOCHJYFZSA-N 0 0 454.954 4.728 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001459594178 1067359470 /nfs/dbraw/zinc/35/94/70/1067359470.db2.gz YPDAJVUUPBAVFK-ABAIWWIYSA-N 0 0 463.072 4.568 20 0 JJADRN O=C(CN1CCc2c(cccc2N2CCOC2=O)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC001459593544 1067359516 /nfs/dbraw/zinc/35/95/16/1067359516.db2.gz FCZGOYFUMOXWHO-UHFFFAOYSA-N 0 0 454.741 4.600 20 0 JJADRN Cn1c(=O)ccc2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc21 ZINC001459596695 1067360267 /nfs/dbraw/zinc/36/02/67/1067360267.db2.gz LQCYMFCNZUYLCT-QFIPXVFZSA-N 0 0 459.933 4.692 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN(Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001459598905 1067360304 /nfs/dbraw/zinc/36/03/04/1067360304.db2.gz ONUQDLZAEGHHFJ-QFIPXVFZSA-N 0 0 450.583 4.729 20 0 JJADRN CC[C@@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)[C@@H](CC)CN1C(C)=O ZINC001459603462 1067360525 /nfs/dbraw/zinc/36/05/25/1067360525.db2.gz CVJZMBYIFAPELH-VQTJNVASSA-N 0 0 452.624 4.902 20 0 JJADRN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC001459603442 1067360704 /nfs/dbraw/zinc/36/07/04/1067360704.db2.gz CVJZMBYIFAPELH-PMACEKPBSA-N 0 0 452.624 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459607020 1067361849 /nfs/dbraw/zinc/36/18/49/1067361849.db2.gz GAKANEFPZQILGI-ACJLOTCBSA-N 0 0 451.445 4.686 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC001459607382 1067361990 /nfs/dbraw/zinc/36/19/90/1067361990.db2.gz CWJJSOLKTRPYHM-LJQANCHMSA-N 0 0 456.384 4.992 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)nnn1Cc1ccc(F)cc1F ZINC001459608816 1067362228 /nfs/dbraw/zinc/36/22/28/1067362228.db2.gz QNABDAWISITSTE-UHFFFAOYSA-N 0 0 457.387 4.631 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001459610879 1067363139 /nfs/dbraw/zinc/36/31/39/1067363139.db2.gz QETGPZFWFKVFDT-RTBURBONSA-N 0 0 457.640 4.642 20 0 JJADRN O=C(OCc1ncc(C(F)(F)F)s1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001459610266 1067363266 /nfs/dbraw/zinc/36/32/66/1067363266.db2.gz ZMFKNISAWIHPDF-UHFFFAOYSA-N 0 0 456.755 4.772 20 0 JJADRN CN(CCOc1ccccc1F)C(=O)CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459612412 1067364285 /nfs/dbraw/zinc/36/42/85/1067364285.db2.gz GKWCMQWMLQBDFC-QGZVFWFLSA-N 0 0 455.357 4.513 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)CC1=O ZINC001459613461 1067364562 /nfs/dbraw/zinc/36/45/62/1067364562.db2.gz DPFXDKFNEMTPRQ-HNNXBMFYSA-N 0 0 458.440 4.618 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3CCC[C@@H]3c3ccc(Br)c(C)c3)CCC2=O)c1 ZINC001459614231 1067364613 /nfs/dbraw/zinc/36/46/13/1067364613.db2.gz AVJLMGWUVXBBPP-OAQYLSRUSA-N 0 0 454.368 4.912 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc4ccc(Br)cc4s3)c2)C1=O ZINC001459615496 1067364836 /nfs/dbraw/zinc/36/48/36/1067364836.db2.gz JUVPSGUZIJGSIR-UHFFFAOYSA-N 0 0 458.337 4.751 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC001459615528 1067364860 /nfs/dbraw/zinc/36/48/60/1067364860.db2.gz JYRVWZCDVIRKRF-CYBMUJFWSA-N 0 0 453.944 4.548 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)C=Cc3ccccc3OCc3ccccc3)c2)C1=O ZINC001459615249 1067364961 /nfs/dbraw/zinc/36/49/61/1067364961.db2.gz IQEHTUCVIPAPDP-FOCLMDBBSA-N 0 0 455.514 4.752 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615928 1067365151 /nfs/dbraw/zinc/36/51/51/1067365151.db2.gz PBYGSTVYZWFAEI-XUFREYRYSA-N 0 0 451.611 4.879 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCc2c(C)cc(C)cc2F)c1 ZINC001459616585 1067365274 /nfs/dbraw/zinc/36/52/74/1067365274.db2.gz QOCGWEBGBGVMFQ-UHFFFAOYSA-N 0 0 458.507 4.966 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)cc1 ZINC001459617372 1067365406 /nfs/dbraw/zinc/36/54/06/1067365406.db2.gz GBDHKCTWWJGXNL-APSNUPSMSA-N 0 0 454.979 4.934 20 0 JJADRN O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NCc1nc(-c2cccc(F)c2)no1 ZINC001459618758 1067365577 /nfs/dbraw/zinc/36/55/77/1067365577.db2.gz RYCILIXPNRKMLR-UHFFFAOYSA-N 0 0 451.885 4.967 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1-n1cncn1 ZINC001459619793 1067365896 /nfs/dbraw/zinc/36/58/96/1067365896.db2.gz YEFJOSJTUQURDD-XJKSGUPXSA-N 0 0 452.139 4.623 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1C ZINC001459621053 1067365977 /nfs/dbraw/zinc/36/59/77/1067365977.db2.gz PSJOTDKGHRSZNK-IBGZPJMESA-N 0 0 454.361 4.586 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N(CCc3ccccn3)Cc3ccncc3)n2)cc1 ZINC001459619787 1067366064 /nfs/dbraw/zinc/36/60/64/1067366064.db2.gz YCGPPHVNXCNSKF-UHFFFAOYSA-N 0 0 455.562 4.854 20 0 JJADRN CO[C@@H](CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621810 1067366231 /nfs/dbraw/zinc/36/62/31/1067366231.db2.gz JSRAOVBSKDHAKB-JTSKRJEESA-N 0 0 451.394 4.601 20 0 JJADRN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001459621932 1067366524 /nfs/dbraw/zinc/36/65/24/1067366524.db2.gz RAWWLWFZXTYUOG-RTBURBONSA-N 0 0 453.258 4.723 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1C(F)(F)F ZINC001459622912 1067366669 /nfs/dbraw/zinc/36/66/69/1067366669.db2.gz ZLEBUABZLNEBFW-HWKANZROSA-N 0 0 452.281 4.745 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2CCCN(C)c2ccccc2F)C1 ZINC001546110585 1067367350 /nfs/dbraw/zinc/36/73/50/1067367350.db2.gz FCEIHPFHSIKOSI-UHFFFAOYSA-N 0 0 450.606 4.946 20 0 JJADRN COc1ccc(CN2CCC(Oc3ccccc3I)CC2)cc1Cl ZINC001459627266 1067367695 /nfs/dbraw/zinc/36/76/95/1067367695.db2.gz 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COc1ccc(C(=O)N(c2ccsc2)C2CCCCC2)cc1S(=O)(=O)NC(C)(C)C ZINC001459720112 1067395068 /nfs/dbraw/zinc/39/50/68/1067395068.db2.gz BUCFTGUTPHOVLC-UHFFFAOYSA-N 0 0 450.626 4.813 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC001459720139 1067395591 /nfs/dbraw/zinc/39/55/91/1067395591.db2.gz BWVYHCSDAXLVNG-MRXNPFEDSA-N 0 0 453.808 4.998 20 0 JJADRN Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCN(c4ccc(Cl)cc4)CC3)cs2)c1 ZINC001459723053 1067395769 /nfs/dbraw/zinc/39/57/69/1067395769.db2.gz LTFREAKWPSTKCF-UHFFFAOYSA-N 0 0 455.027 4.917 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC001459727147 1067397374 /nfs/dbraw/zinc/39/73/74/1067397374.db2.gz PATWZYYNLGIKNB-CQSZACIVSA-N 0 0 452.336 4.615 20 0 JJADRN CCOC[C@@H](NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC001459727167 1067397485 /nfs/dbraw/zinc/39/74/85/1067397485.db2.gz FXZWCBOEOQWTSV-CRAIPNDOSA-N 0 0 459.637 4.863 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC001459727134 1067397508 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JJADRN Cc1cc(C)c(CN(C)c2ccc(C(=O)N3CCOCC3)cc2C)c(OCc2ccccc2)n1 ZINC001459733035 1067399112 /nfs/dbraw/zinc/39/91/12/1067399112.db2.gz PPEHYINRDHDLAT-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN CCCCCCn1nc(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)c2ccccc2c1=O ZINC001459735206 1067399369 /nfs/dbraw/zinc/39/93/69/1067399369.db2.gz RAZRDBHUWIHRMN-UHFFFAOYSA-N 0 0 459.905 4.808 20 0 JJADRN O=C(CN1CCc2cc(-c3ccccc3)oc2C1)Nc1ccc(I)cc1 ZINC001459734960 1067399379 /nfs/dbraw/zinc/39/93/79/1067399379.db2.gz OJNFWCAYJHFWOW-UHFFFAOYSA-N 0 0 458.299 4.548 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)nn1-c1cccc(F)c1 ZINC001459740895 1067401407 /nfs/dbraw/zinc/40/14/07/1067401407.db2.gz WXTYFRVQNVCJTC-UHFFFAOYSA-N 0 0 457.937 4.509 20 0 JJADRN COCCN(C(=O)C[C@H](C)CCc1ccc(I)cc1)[C@@H]1CC[C@@H](C)C1 ZINC001459740598 1067401476 /nfs/dbraw/zinc/40/14/76/1067401476.db2.gz LKHYMOMFITVSRC-MBOZVWFJSA-N 0 0 457.396 4.914 20 0 JJADRN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001459742929 1067402534 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451.283 4.713 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459753513 1067407341 /nfs/dbraw/zinc/40/73/41/1067407341.db2.gz HCBXQPKHBVFVCY-RQOWECAXSA-N 0 0 450.059 4.630 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC001459754185 1067407384 /nfs/dbraw/zinc/40/73/84/1067407384.db2.gz MKVCVKDPBLSDGE-UHFFFAOYSA-N 0 0 457.502 4.666 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(Cc2cc(Br)cc(F)c2F)c2ccccc2O1 ZINC001459756132 1067408552 /nfs/dbraw/zinc/40/85/52/1067408552.db2.gz RKICJMPNIRAGIV-LJQANCHMSA-N 0 0 453.327 4.800 20 0 JJADRN O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001459756722 1067408824 /nfs/dbraw/zinc/40/88/24/1067408824.db2.gz CTKNOXRWJBUWDS-NRFANRHFSA-N 0 0 457.452 4.629 20 0 JJADRN O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1scc(Br)c1Br ZINC001459757434 1067409348 /nfs/dbraw/zinc/40/93/48/1067409348.db2.gz IHLIYFUQVZPDPY-WKEGUHRASA-N 0 0 452.086 4.787 20 0 JJADRN COc1cccc([C@@H](OC)C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001459756917 1067409354 /nfs/dbraw/zinc/40/93/54/1067409354.db2.gz DZGFSVHNXXTFSK-WZONZLPQSA-N 0 0 452.576 4.921 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757110 1067409481 /nfs/dbraw/zinc/40/94/81/1067409481.db2.gz XVZPFLASDBMZHK-QHCPKHFHSA-N 0 0 451.611 4.800 20 0 JJADRN C[C@H](OCCCNC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757866 1067409885 /nfs/dbraw/zinc/40/98/85/1067409885.db2.gz AMOQDEWIKITVSN-FXAWDEMLSA-N 0 0 451.394 4.731 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001459758920 1067410377 /nfs/dbraw/zinc/41/03/77/1067410377.db2.gz NJNZZWDSDKFDBN-UHFFFAOYSA-N 0 0 453.539 4.570 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)CC1=O ZINC001459759733 1067411407 /nfs/dbraw/zinc/41/14/07/1067411407.db2.gz ZUVPYWKYKNFOQE-IAGOWNOFSA-N 0 0 453.489 4.760 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)sc1C ZINC001459760161 1067411436 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DEHMGSZXQCCECT-IMJJTQAJSA-N 0 0 455.418 4.796 20 0 JJADRN CN(CCC1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459775818 1067417223 /nfs/dbraw/zinc/41/72/23/1067417223.db2.gz XWVLLOMRFGVQFC-OAQYLSRUSA-N 0 0 450.023 4.804 20 0 JJADRN O=C(N[C@H]1CSc2ccc(Br)cc21)C1(Cc2cccc(F)c2)CCOCC1 ZINC001459781032 1067418194 /nfs/dbraw/zinc/41/81/94/1067418194.db2.gz ZMAXELOYVZZFLT-SFHVURJKSA-N 0 0 450.373 4.891 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 ZINC001459781755 1067418780 /nfs/dbraw/zinc/41/87/80/1067418780.db2.gz WONNYZXFPBMIMB-WZUFQYTHSA-N 0 0 457.479 4.584 20 0 JJADRN CCN(CC)[C@@H](C(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001459781659 1067418784 /nfs/dbraw/zinc/41/87/84/1067418784.db2.gz VICLBACKMABCDW-LJQANCHMSA-N 0 0 453.436 4.823 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001459782777 1067419493 /nfs/dbraw/zinc/41/94/93/1067419493.db2.gz KANUAOQQTUDSSV-UHFFFAOYSA-N 0 0 450.760 4.627 20 0 JJADRN COc1ccc2c(ccn2CC(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)c1 ZINC001459783299 1067419952 /nfs/dbraw/zinc/41/99/52/1067419952.db2.gz PJKGXVHEBOXLKG-UHFFFAOYSA-N 0 0 454.280 4.600 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Br)cc2OC(F)(F)F)n1 ZINC001459784630 1067420938 /nfs/dbraw/zinc/42/09/38/1067420938.db2.gz UCOAQBAFTGAXHN-UHFFFAOYSA-N 0 0 450.255 4.990 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)[C@@H](CC(N)=O)c3ccccc3)cc12 ZINC001459784755 1067420941 /nfs/dbraw/zinc/42/09/41/1067420941.db2.gz IZKSJHRPUBEDSA-IBGZPJMESA-N 0 0 452.967 4.738 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC001459784639 1067421055 /nfs/dbraw/zinc/42/10/55/1067421055.db2.gz UHWYXOACXVREOM-CYBMUJFWSA-N 0 0 456.789 4.785 20 0 JJADRN O=C(OCc1ccccc1)N1CCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001459786277 1067421583 /nfs/dbraw/zinc/42/15/83/1067421583.db2.gz WQJJKZAMGVEYHQ-UHFFFAOYSA-N 0 0 452.501 4.998 20 0 JJADRN O=C(CCc1nccs1)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001459785358 1067421673 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450.579 4.511 20 0 JJADRN COc1cccc([C@H](OC)C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001459791861 1067424876 /nfs/dbraw/zinc/42/48/76/1067424876.db2.gz RDRLIABSDFCVNW-QHCPKHFHSA-N 0 0 452.576 4.921 20 0 JJADRN O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1 ZINC001459792548 1067425576 /nfs/dbraw/zinc/42/55/76/1067425576.db2.gz OOILNFDKJFWOGM-UHFFFAOYSA-N 0 0 452.761 4.951 20 0 JJADRN O=C(Cc1ccc(-n2cccc2)cc1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459793773 1067426120 /nfs/dbraw/zinc/42/61/20/1067426120.db2.gz XVSJHNRSGJJIJM-UHFFFAOYSA-N 0 0 452.352 4.657 20 0 JJADRN COc1cc(CN(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(Br)cn1 ZINC001459794468 1067426743 /nfs/dbraw/zinc/42/67/43/1067426743.db2.gz BAHSPRLCOCUMIK-DEOSSOPVSA-N 0 0 453.380 4.689 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC001459794790 1067427065 /nfs/dbraw/zinc/42/70/65/1067427065.db2.gz FAMNYUNNWDUICF-OALUTQOASA-N 0 0 456.608 4.506 20 0 JJADRN COc1cc(C(F)(F)F)ncc1NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459795231 1067427118 /nfs/dbraw/zinc/42/71/18/1067427118.db2.gz RWYCVUSPOZRHDX-SFHVURJKSA-N 0 0 457.452 4.917 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC001459794789 1067427135 /nfs/dbraw/zinc/42/71/35/1067427135.db2.gz FAMNYUNNWDUICF-MOPGFXCFSA-N 0 0 456.608 4.506 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001459798213 1067428146 /nfs/dbraw/zinc/42/81/46/1067428146.db2.gz MTIWKQBIGVAQHF-XMSQKQJNSA-N 0 0 451.394 4.695 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798439 1067428625 /nfs/dbraw/zinc/42/86/25/1067428625.db2.gz RPOSUWCSXKTAGW-CRICUBBOSA-N 0 0 453.970 4.699 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001459799636 1067429264 /nfs/dbraw/zinc/42/92/64/1067429264.db2.gz ZSOIQZRRNFMGQD-HXUWFJFHSA-N 0 0 450.391 4.635 20 0 JJADRN CCNC(=O)c1cccc(NC(=O)CN2CC(CC)(CC)c3cc(Br)ccc32)c1 ZINC001459799769 1067429300 /nfs/dbraw/zinc/42/93/00/1067429300.db2.gz ZHRNSQMOVKAXFB-UHFFFAOYSA-N 0 0 458.400 4.715 20 0 JJADRN CCc1c(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)nnn1Cc1ccc(F)cc1 ZINC001459801417 1067429572 /nfs/dbraw/zinc/42/95/72/1067429572.db2.gz QYGWBDGFNGVEJO-UHFFFAOYSA-N 0 0 450.436 4.592 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001459800853 1067429606 /nfs/dbraw/zinc/42/96/06/1067429606.db2.gz GMCRBVUYWQTXOX-UHFFFAOYSA-N 0 0 453.461 4.670 20 0 JJADRN CCOC(=O)CN(Cc1nc([C@H](C)SCC)no1)[C@@H](C)c1cccc(Br)c1 ZINC001459803215 1067430652 /nfs/dbraw/zinc/43/06/52/1067430652.db2.gz PDXLEFAVKNIJEP-KBPBESRZSA-N 0 0 456.406 4.773 20 0 JJADRN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)c1c(C(F)F)nc2cnccn21 ZINC001459805126 1067431236 /nfs/dbraw/zinc/43/12/36/1067431236.db2.gz VXLMCMSMSQNHJN-UHFFFAOYSA-N 0 0 452.646 4.883 20 0 JJADRN CCSc1ccc(CC(=O)OCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC001459807105 1067431561 /nfs/dbraw/zinc/43/15/61/1067431561.db2.gz YISRIOUNWUABLX-UHFFFAOYSA-N 0 0 450.398 4.684 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN[C@@H](CO)c1ccccc1 ZINC001459808194 1067432188 /nfs/dbraw/zinc/43/21/88/1067432188.db2.gz LTPPHNLVUADMFS-IBGZPJMESA-N 0 0 458.967 4.507 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2cccs2)C1 ZINC001546112203 1067433263 /nfs/dbraw/zinc/43/32/63/1067433263.db2.gz HXPMBTDHXRXIQR-UHFFFAOYSA-N 0 0 467.639 4.674 20 0 JJADRN Cc1ccccc1C[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001459811247 1067433293 /nfs/dbraw/zinc/43/32/93/1067433293.db2.gz AYUALAFJLNYJGJ-OAQYLSRUSA-N 0 0 451.611 4.608 20 0 JJADRN Cc1cccnc1N(C)C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC001459812961 1067434421 /nfs/dbraw/zinc/43/44/21/1067434421.db2.gz TVFUMABGOAJVTF-UHFFFAOYSA-N 0 0 457.502 4.999 20 0 JJADRN C[C@@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)NCCC1(C)CC1 ZINC001459813291 1067435050 /nfs/dbraw/zinc/43/50/50/1067435050.db2.gz WCRUZSQNKQMDQV-LLVKDONJSA-N 0 0 458.727 4.567 20 0 JJADRN O=C(CNC1(c2ccc(F)cc2F)CCCC1)Nc1ccccc1I ZINC001459815730 1067435331 /nfs/dbraw/zinc/43/53/31/1067435331.db2.gz DHADPCPUCRUOCI-UHFFFAOYSA-N 0 0 456.274 4.567 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 ZINC001459814215 1067435340 /nfs/dbraw/zinc/43/53/40/1067435340.db2.gz XRJLQCJZYIHGCR-FZMZJTMJSA-N 0 0 457.353 4.814 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814694 1067435356 /nfs/dbraw/zinc/43/53/56/1067435356.db2.gz WORJFKQAYWYIBH-ICSRJNTNSA-N 0 0 457.640 4.723 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 ZINC001459814217 1067435403 /nfs/dbraw/zinc/43/54/03/1067435403.db2.gz XRJLQCJZYIHGCR-RISCZKNCSA-N 0 0 457.353 4.814 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC001459818081 1067437028 /nfs/dbraw/zinc/43/70/28/1067437028.db2.gz DMKJFYFKBAKMBB-WFASDCNBSA-N 0 0 452.420 4.655 20 0 JJADRN COCc1cccc(OCC2(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)CCC2)c1 ZINC001459818059 1067437147 /nfs/dbraw/zinc/43/71/47/1067437147.db2.gz DOQFGMWAJNEYEI-UHFFFAOYSA-N 0 0 458.002 4.885 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)cc1 ZINC001459817720 1067437172 /nfs/dbraw/zinc/43/71/72/1067437172.db2.gz IBWAQLXTVJQNTM-KRWDZBQOSA-N 0 0 452.343 4.575 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CC=C(c3cccc(C)c3)CC2)cc1 ZINC001459819578 1067437593 /nfs/dbraw/zinc/43/75/93/1067437593.db2.gz XFBSOVWGRRFSHF-UHFFFAOYSA-N 0 0 453.586 4.961 20 0 JJADRN Cn1nc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1-c1ccc(F)cc1 ZINC001459821750 1067438719 /nfs/dbraw/zinc/43/87/19/1067438719.db2.gz AEKPHDPFFPFBEZ-UHFFFAOYSA-N 0 0 457.347 4.864 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001459821614 1067438871 /nfs/dbraw/zinc/43/88/71/1067438871.db2.gz PVLJPOSQZNJZJI-LJQANCHMSA-N 0 0 458.971 4.570 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC(C)C)C1 ZINC001546112103 1067439184 /nfs/dbraw/zinc/43/91/84/1067439184.db2.gz CWAJNIFFVSYLJO-GMAHTHKFSA-N 0 0 456.631 4.854 20 0 JJADRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459822027 1067439261 /nfs/dbraw/zinc/43/92/61/1067439261.db2.gz MJAHVTWGTBONBY-UHFFFAOYSA-N 0 0 457.387 4.543 20 0 JJADRN COc1ccc(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC001459822875 1067439718 /nfs/dbraw/zinc/43/97/18/1067439718.db2.gz QFJGMJDHKIASOF-HXUWFJFHSA-N 0 0 458.624 4.809 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](OC)C(C)C)C1 ZINC001546112108 1067439749 /nfs/dbraw/zinc/43/97/49/1067439749.db2.gz CYOUYCMQQQIPSU-ZCNNSNEGSA-N 0 0 463.667 4.736 20 0 JJADRN C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825958 1067440805 /nfs/dbraw/zinc/44/08/05/1067440805.db2.gz VWFPVIFUVFJDJH-ROOHIHILSA-N 0 0 452.473 4.935 20 0 JJADRN C[C@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001459825603 1067440861 /nfs/dbraw/zinc/44/08/61/1067440861.db2.gz RVYQRNOEDJUOTO-KBPBESRZSA-N 0 0 451.901 4.746 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N1CCc2cc(Br)cc(F)c2C1 ZINC001459826058 1067441176 /nfs/dbraw/zinc/44/11/76/1067441176.db2.gz QBTLKIKKJNVPAO-QGZVFWFLSA-N 0 0 457.137 4.623 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001459827817 1067441647 /nfs/dbraw/zinc/44/16/47/1067441647.db2.gz JJLBYIBZQKEHBS-OAHLLOKOSA-N 0 0 450.757 4.626 20 0 JJADRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001459828072 1067442200 /nfs/dbraw/zinc/44/22/00/1067442200.db2.gz KYSJHNLRKFIZIN-HNNXBMFYSA-N 0 0 457.739 4.583 20 0 JJADRN C[C@@H](N[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001459828278 1067442212 /nfs/dbraw/zinc/44/22/12/1067442212.db2.gz RMTAJJYRZIXMLX-SJORKVTESA-N 0 0 450.564 4.552 20 0 JJADRN Cc1cc2c(o1)c(C(=O)NCCCCn1cc(Br)cn1)ccc2Br ZINC001459828813 1067442560 /nfs/dbraw/zinc/44/25/60/1067442560.db2.gz VFTYSNJOVXWHTH-UHFFFAOYSA-N 0 0 455.150 4.673 20 0 JJADRN O=C(Nc1cc2ccccc2nc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001459830351 1067443347 /nfs/dbraw/zinc/44/33/47/1067443347.db2.gz VLLFGEOMURDQQA-UHFFFAOYSA-N 0 0 459.365 4.966 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001546112127 1067443358 /nfs/dbraw/zinc/44/33/58/1067443358.db2.gz DTWRSGAHWQJJFF-UHFFFAOYSA-N 0 0 476.547 4.945 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831177 1067443606 /nfs/dbraw/zinc/44/36/06/1067443606.db2.gz BAEHHOXCJMNHIT-GOSISDBHSA-N 0 0 458.360 4.715 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001459830505 1067443704 /nfs/dbraw/zinc/44/37/04/1067443704.db2.gz BMCUVOOUDHSYCW-UHFFFAOYSA-N 0 0 459.370 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459830467 1067443742 /nfs/dbraw/zinc/44/37/42/1067443742.db2.gz ANAIYDWGCXABKO-DLYSWHJUSA-N 0 0 468.425 4.868 20 0 JJADRN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC001459831299 1067444327 /nfs/dbraw/zinc/44/43/27/1067444327.db2.gz DTEOKNLSIYTHPG-WMLDXEAASA-N 0 0 456.764 4.830 20 0 JJADRN CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC001459832745 1067444824 /nfs/dbraw/zinc/44/48/24/1067444824.db2.gz CHHSGNRMIXPEPS-UHFFFAOYSA-N 0 0 459.775 4.877 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cn2ccc(Br)cc2n1 ZINC001459834460 1067445332 /nfs/dbraw/zinc/44/53/32/1067445332.db2.gz REIFBFJMOGQKHY-UHFFFAOYSA-N 0 0 457.553 4.785 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1)C1CC1 ZINC001459834494 1067445441 /nfs/dbraw/zinc/44/54/41/1067445441.db2.gz GBEZLFZDBZOOCR-HNNXBMFYSA-N 0 0 452.555 4.901 20 0 JJADRN Cc1c(C(=O)Nc2cc(C)c(Br)c(C)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC001459835870 1067446456 /nfs/dbraw/zinc/44/64/56/1067446456.db2.gz YHORFYRBYARBBG-UHFFFAOYSA-N 0 0 451.271 4.809 20 0 JJADRN Cc1cc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001459839017 1067447507 /nfs/dbraw/zinc/44/75/07/1067447507.db2.gz FVRUMMQZOVGBJJ-IBGZPJMESA-N 0 0 459.775 4.526 20 0 JJADRN Cc1ccc(-n2cccn2)cc1NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459839257 1067447521 /nfs/dbraw/zinc/44/75/21/1067447521.db2.gz HCRNHWNBALWCDP-UHFFFAOYSA-N 0 0 452.477 4.699 20 0 JJADRN O=C(Cn1ccc2ccc(Cl)cc21)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001459841948 1067448671 /nfs/dbraw/zinc/44/86/71/1067448671.db2.gz QHFURLUMSYLERY-KRWDZBQOSA-N 0 0 450.753 4.913 20 0 JJADRN C[C@@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459842038 1067449150 /nfs/dbraw/zinc/44/91/50/1067449150.db2.gz SXIVAIFXSCKKSX-QGZVFWFLSA-N 0 0 457.559 4.894 20 0 JJADRN CCn1c(CNC(=O)c2csc(Br)c2C)nc2cc(Br)ccc21 ZINC001459842755 1067449604 /nfs/dbraw/zinc/44/96/04/1067449604.db2.gz UZCUSTYXMJYDOM-UHFFFAOYSA-N 0 0 457.191 4.881 20 0 JJADRN CCn1c2nnc(CN[C@H](CC(C)C)c3cc(Cl)ccc3OC)n2c2ccccc2c1=O ZINC001459843036 1067450124 /nfs/dbraw/zinc/45/01/24/1067450124.db2.gz JTMCERNUEBLELC-LJQANCHMSA-N 0 0 453.974 4.603 20 0 JJADRN COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001459843657 1067450203 /nfs/dbraw/zinc/45/02/03/1067450203.db2.gz MTPCZSVONIBZDV-SFHVURJKSA-N 0 0 456.505 4.643 20 0 JJADRN CCCCOc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccc(Br)cc2F)cc1OC ZINC001459844352 1067450504 /nfs/dbraw/zinc/45/05/04/1067450504.db2.gz PGNIUWFPIDGPRF-ZUOKHONESA-N 0 0 453.352 4.653 20 0 JJADRN CCCCOc1ccc([C@H](C)N[C@@H](C(N)=O)c2ccc(Br)cc2F)cc1OC ZINC001459844349 1067450535 /nfs/dbraw/zinc/45/05/35/1067450535.db2.gz PGNIUWFPIDGPRF-RNODOKPDSA-N 0 0 453.352 4.653 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001546112250 1067452491 /nfs/dbraw/zinc/45/24/91/1067452491.db2.gz JWXRYWYSKARYNK-UHFFFAOYSA-N 0 0 469.630 4.660 20 0 JJADRN O[C@H](CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851038 1067456082 /nfs/dbraw/zinc/45/60/82/1067456082.db2.gz GFBJYITZJDCSGL-VQIMIIECSA-N 0 0 451.384 4.667 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)c1ccc(Oc2cccnc2)cc1 ZINC001459855268 1067458679 /nfs/dbraw/zinc/45/86/79/1067458679.db2.gz AUQOTBMGSQDDAJ-CQSZACIVSA-N 0 0 455.308 4.899 20 0 JJADRN C[S@@](=O)C[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 ZINC001459855804 1067459266 /nfs/dbraw/zinc/45/92/66/1067459266.db2.gz ZPRGAQBSJRVAOX-ZBSNKRKSSA-N 0 0 454.206 4.948 20 0 JJADRN C[C@@H](NCc1cc2c(cc1Br)OCO2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001459857574 1067459990 /nfs/dbraw/zinc/45/99/90/1067459990.db2.gz JSABGZIBBOBYFE-CQSZACIVSA-N 0 0 454.324 4.676 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001459858503 1067460273 /nfs/dbraw/zinc/46/02/73/1067460273.db2.gz XVSIJLAAGWEGOI-KSZLIROESA-N 0 0 457.983 4.768 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(Oc4cccnc4)cc3)CCC(=O)N2C)cc1 ZINC001459858558 1067460906 /nfs/dbraw/zinc/46/09/06/1067460906.db2.gz YJAUMGLBXILDRM-DETVKUJNSA-N 0 0 459.546 4.669 20 0 JJADRN CCOc1cc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)ccc1OCC(=O)OC ZINC001459867256 1067464067 /nfs/dbraw/zinc/46/40/67/1067464067.db2.gz CPFASDDAWZXIGL-UHFFFAOYSA-N 0 0 452.334 4.749 20 0 JJADRN COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)nc1I ZINC001459866614 1067464178 /nfs/dbraw/zinc/46/41/78/1067464178.db2.gz BXWUOEYXOCNZCE-AWEZNQCLSA-N 0 0 458.727 4.518 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1OC ZINC001459868611 1067465369 /nfs/dbraw/zinc/46/53/69/1067465369.db2.gz ZBMINUSUPHRMRF-UHFFFAOYSA-N 0 0 458.470 4.562 20 0 JJADRN CC(C)(C)c1ccc(C2CCC(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)cc1 ZINC001459869865 1067466357 /nfs/dbraw/zinc/46/63/57/1067466357.db2.gz LUGUIOWNOYFLLL-UHFFFAOYSA-N 0 0 454.636 4.881 20 0 JJADRN CC(C)(C)c1ccc(C2CCC(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)cc1 ZINC001459870450 1067466889 /nfs/dbraw/zinc/46/68/89/1067466889.db2.gz NGUGDSBDUOQHMI-UHFFFAOYSA-N 0 0 454.636 4.980 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001459873579 1067468378 /nfs/dbraw/zinc/46/83/78/1067468378.db2.gz WFDKJULKNNWTGH-WBVHZDCISA-N 0 0 450.004 4.838 20 0 JJADRN COc1ccc(NC(=O)c2csc(Br)c2C)c(I)c1 ZINC001459873954 1067468968 /nfs/dbraw/zinc/46/89/68/1067468968.db2.gz NMVZFVKBBVITMT-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(CCOc3ccccc3Br)CC2)cc1Cl ZINC001459875492 1067469386 /nfs/dbraw/zinc/46/93/86/1067469386.db2.gz LCIYGSDPDORQSJ-UHFFFAOYSA-N 0 0 452.780 4.639 20 0 JJADRN COC1(CNC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CCC(c2ccccc2)CC1 ZINC001459878136 1067470308 /nfs/dbraw/zinc/47/03/08/1067470308.db2.gz AIUJQWPOXFDFHN-MHQYLXLASA-N 0 0 456.627 4.883 20 0 JJADRN COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c(I)c1 ZINC001459880560 1067470665 /nfs/dbraw/zinc/47/06/65/1067470665.db2.gz WLWJGJPJFUUSHF-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)NCC(F)(F)Br)c23)cc1 ZINC001459879386 1067470795 /nfs/dbraw/zinc/47/07/95/1067470795.db2.gz GHUGIHMNKHCLNE-UHFFFAOYSA-N 0 0 458.353 4.863 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)cs1)C1CC1 ZINC001459880723 1067471330 /nfs/dbraw/zinc/47/13/30/1067471330.db2.gz IZVWZAWXRNIHOS-MRXNPFEDSA-N 0 0 456.612 4.804 20 0 JJADRN Cc1ccc(CC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1Br ZINC001459882298 1067471674 /nfs/dbraw/zinc/47/16/74/1067471674.db2.gz SBKAKGMKUMDJCJ-FQEVSTJZSA-N 0 0 456.302 4.837 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc2c(cccc2Br)s1 ZINC001459881361 1067471687 /nfs/dbraw/zinc/47/16/87/1067471687.db2.gz ORAZBBFTOXLRKS-UHFFFAOYSA-N 0 0 452.761 4.861 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(C)(C)O)cc2)C1 ZINC001546112441 1067471720 /nfs/dbraw/zinc/47/17/20/1067471720.db2.gz RFIXPTGNXCPAIB-UHFFFAOYSA-N 0 0 481.666 4.562 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@H]3[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]3C)c2)cs1 ZINC001459881833 1067471810 /nfs/dbraw/zinc/47/18/10/1067471810.db2.gz WRMPZODFGKLGEZ-GCKMJXCFSA-N 0 0 459.612 4.794 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2CCc2c(C)noc2C)C1 ZINC001546112525 1067473114 /nfs/dbraw/zinc/47/31/14/1067473114.db2.gz VCHGQYUBVJYYCJ-UHFFFAOYSA-N 0 0 453.587 4.730 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cccc(F)c2Cl)C1=O ZINC001459888947 1067474214 /nfs/dbraw/zinc/47/42/14/1067474214.db2.gz SBGLSOHJUBXKNC-MRXNPFEDSA-N 0 0 453.739 4.784 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1=O ZINC001459889707 1067474642 /nfs/dbraw/zinc/47/46/42/1067474642.db2.gz WSUQTYAXGXVZCD-QGZVFWFLSA-N 0 0 453.739 4.784 20 0 JJADRN CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459889799 1067474659 /nfs/dbraw/zinc/47/46/59/1067474659.db2.gz IJMPZJYUMAUXCW-JXFKEZNVSA-N 0 0 459.612 4.722 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(Cl)cnc2Br)cc1 ZINC001459889363 1067474724 /nfs/dbraw/zinc/47/47/24/1067474724.db2.gz HMFMJRONVNWLLN-UHFFFAOYSA-N 0 0 450.720 4.863 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001546112547 1067475685 /nfs/dbraw/zinc/47/56/85/1067475685.db2.gz VWPDQHXRHLUIJU-DYLHXGEVSA-N 0 0 475.678 4.918 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)CN3CC[C@@H](N4CCCC4=O)C3)n2)cc1 ZINC001459891958 1067475755 /nfs/dbraw/zinc/47/57/55/1067475755.db2.gz JCAWOFYQXBUPGZ-OAQYLSRUSA-N 0 0 454.640 4.568 20 0 JJADRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc(Br)ccc1OC(F)F ZINC001459892012 1067475792 /nfs/dbraw/zinc/47/57/92/1067475792.db2.gz VBMMIPQRMZHJEQ-GFCCVEGCSA-N 0 0 454.193 4.709 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ncccc1C(=O)c1ccc(F)cc1 ZINC001459892529 1067476262 /nfs/dbraw/zinc/47/62/62/1067476262.db2.gz DFJBKTQGLSXKPE-UHFFFAOYSA-N 0 0 451.404 4.956 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)CC2c3ccccc3Oc3ccccc32)s1 ZINC001459892819 1067476322 /nfs/dbraw/zinc/47/63/22/1067476322.db2.gz BJJCCXFALBCSMQ-LSDHHAIUSA-N 0 0 450.564 4.508 20 0 JJADRN O=C1NCCN(Cc2ccc(Cl)c(Br)c2)[C@@H]1c1ccccc1Br ZINC001459893776 1067476662 /nfs/dbraw/zinc/47/66/62/1067476662.db2.gz ANKPDEUOVWDPKV-MRXNPFEDSA-N 0 0 458.581 4.538 20 0 JJADRN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1C ZINC001459893811 1067476676 /nfs/dbraw/zinc/47/66/76/1067476676.db2.gz BGIWIABFTYYOCP-UHFFFAOYSA-N 0 0 458.946 4.605 20 0 JJADRN O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1ccccc1OCCOc1ccccc1 ZINC001459893561 1067476723 /nfs/dbraw/zinc/47/67/23/1067476723.db2.gz IOOVCVOIYICNPB-UHFFFAOYSA-N 0 0 454.473 4.512 20 0 JJADRN Cc1ccc(NC(=O)NC(=O)CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1C ZINC001459894655 1067477141 /nfs/dbraw/zinc/47/71/41/1067477141.db2.gz DXWOEWXGWBTDJJ-UHFFFAOYSA-N 0 0 455.946 4.566 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3ncccc3C(=O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001459895233 1067477269 /nfs/dbraw/zinc/47/72/69/1067477269.db2.gz QTMKYINOPXLKSH-UHFFFAOYSA-N 0 0 459.477 4.657 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 ZINC001459897555 1067478214 /nfs/dbraw/zinc/47/82/14/1067478214.db2.gz FBRCZBOZHAGQSS-BAGYTPMASA-N 0 0 457.412 4.963 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nc1Cl ZINC001459898932 1067478608 /nfs/dbraw/zinc/47/86/08/1067478608.db2.gz IFIYXFZQNZCGCS-HNNXBMFYSA-N 0 0 452.780 4.522 20 0 JJADRN C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(C(F)(F)F)nc1 ZINC001459899727 1067479280 /nfs/dbraw/zinc/47/92/80/1067479280.db2.gz PIAHUDZNXPUURE-VBKZILBWSA-N 0 0 456.420 4.961 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nn1[C@H](C)C1CC1 ZINC001459900879 1067479677 /nfs/dbraw/zinc/47/96/77/1067479677.db2.gz NJJZWIFBXDFYMY-XLIONFOSSA-N 0 0 459.432 4.941 20 0 JJADRN CCOC1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC001459901380 1067480407 /nfs/dbraw/zinc/48/04/07/1067480407.db2.gz LDLZHHPAGSCMGO-FEWFAZGVSA-N 0 0 450.982 4.585 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)c3ccccc32)C1 ZINC001459903607 1067481450 /nfs/dbraw/zinc/48/14/50/1067481450.db2.gz VECZGRNCJPAGJS-WIYYLYMNSA-N 0 0 455.396 4.911 20 0 JJADRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C(F)(F)F)nc1 ZINC001459903573 1067481500 /nfs/dbraw/zinc/48/15/00/1067481500.db2.gz GJNLFLPBPVAGBY-OAHLLOKOSA-N 0 0 456.486 4.583 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@H]3CCOC3)c(F)c2)cc1C ZINC001459906021 1067483021 /nfs/dbraw/zinc/48/30/21/1067483021.db2.gz KAVIGVGXSCOTON-FCHUYYIVSA-N 0 0 454.542 4.619 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)CN[C@H](C)c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC001459912989 1067487363 /nfs/dbraw/zinc/48/73/63/1067487363.db2.gz UGITXOHUWPHAEO-LJQANCHMSA-N 0 0 450.558 4.706 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001459916455 1067489433 /nfs/dbraw/zinc/48/94/33/1067489433.db2.gz DAGSGBRDWZDHTH-WIYYLYMNSA-N 0 0 459.587 4.897 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001459916622 1067489505 /nfs/dbraw/zinc/48/95/05/1067489505.db2.gz CDJREGLYWZXPEH-DOTOQJQBSA-N 0 0 455.418 4.543 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H](C)c3ccccc32)c(C(=O)OCC)c1C ZINC001459918185 1067490295 /nfs/dbraw/zinc/49/02/95/1067490295.db2.gz HETHPOBEQJSNOZ-OAHLLOKOSA-N 0 0 458.580 4.752 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC001459919706 1067491233 /nfs/dbraw/zinc/49/12/33/1067491233.db2.gz JONZRZGEQTWPLQ-KDYSTLNUSA-N 0 0 456.586 4.961 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)nn1-c1cccc(Cl)c1 ZINC001459919768 1067491272 /nfs/dbraw/zinc/49/12/72/1067491272.db2.gz MFWUEEPWNZCAHD-DYESRHJHSA-N 0 0 458.990 4.697 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC001459921221 1067491723 /nfs/dbraw/zinc/49/17/23/1067491723.db2.gz NLKYWLYFPWUSTA-HOCLYGCPSA-N 0 0 457.796 4.966 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)nn1-c1cc(C)cc(C)c1 ZINC001459921293 1067492260 /nfs/dbraw/zinc/49/22/60/1067492260.db2.gz NVCKYZJARWQSPB-JOCHJYFZSA-N 0 0 452.599 4.661 20 0 JJADRN Cc1noc([C@@H]2CCCCN2C(=O)Cc2csc(-c3cc(Br)cs3)n2)n1 ZINC001459925401 1067494335 /nfs/dbraw/zinc/49/43/35/1067494335.db2.gz PDOZNZKEKCQNHP-ZDUSSCGKSA-N 0 0 453.387 4.622 20 0 JJADRN Cc1noc([C@H]2CCCCN2C(=O)Cc2csc(-c3cc(Br)cs3)n2)n1 ZINC001459925399 1067494422 /nfs/dbraw/zinc/49/44/22/1067494422.db2.gz PDOZNZKEKCQNHP-CYBMUJFWSA-N 0 0 453.387 4.622 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459926129 1067494957 /nfs/dbraw/zinc/49/49/57/1067494957.db2.gz WLDYQDVQEZPIHA-ROUUACIJSA-N 0 0 456.505 4.722 20 0 JJADRN O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928372 1067495428 /nfs/dbraw/zinc/49/54/28/1067495428.db2.gz BPRSPMHNQLPMPN-IEBWSBKVSA-N 0 0 450.284 4.825 20 0 JJADRN CC[C@H](N[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930395 1067495947 /nfs/dbraw/zinc/49/59/47/1067495947.db2.gz YRTBKBUZHJMPKW-APWZRJJASA-N 0 0 452.580 4.780 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)Nc1ccc(Cl)cc1C ZINC001459929522 1067495969 /nfs/dbraw/zinc/49/59/69/1067495969.db2.gz ISLOPVQFSAZEIJ-HSZRJFAPSA-N 0 0 452.986 4.522 20 0 JJADRN CS(C)(=O)=Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001459930793 1067496047 /nfs/dbraw/zinc/49/60/47/1067496047.db2.gz HCWGKJOKRUPFGS-UHFFFAOYSA-N 0 0 459.921 4.680 20 0 JJADRN O=C(CN[C@@H](CO)c1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459930431 1067496052 /nfs/dbraw/zinc/49/60/52/1067496052.db2.gz IUKNKTMXRNCILU-IBGZPJMESA-N 0 0 452.860 4.558 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@@H](O)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl ZINC001459931301 1067496343 /nfs/dbraw/zinc/49/63/43/1067496343.db2.gz OJOGHGNRSLCUNO-MRXNPFEDSA-N 0 0 454.798 4.723 20 0 JJADRN COCCN(C(C)=O)c1nc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cs1 ZINC001459936849 1067498994 /nfs/dbraw/zinc/49/89/94/1067498994.db2.gz RJBRKFGYMVWGCP-OAHLLOKOSA-N 0 0 455.424 4.554 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCc3cccc(OCc4ccccc4)c3)CCC(=O)N2C)cc1 ZINC001459939103 1067499589 /nfs/dbraw/zinc/49/95/89/1067499589.db2.gz CSUYYNXXWWESKX-VPUSJEBWSA-N 0 0 458.558 4.500 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)CC[C@@H](C)C4)nn2)cc1 ZINC001459943741 1067501191 /nfs/dbraw/zinc/50/11/91/1067501191.db2.gz HSKDHXAQZWAAEZ-OAHLLOKOSA-N 0 0 452.580 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944048 1067501400 /nfs/dbraw/zinc/50/14/00/1067501400.db2.gz PIXRTKIWIUOLIC-IGKIAQTJSA-N 0 0 455.643 4.900 20 0 JJADRN COCCC[C@@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)c1ccc(Cl)cc1 ZINC001459944065 1067501476 /nfs/dbraw/zinc/50/14/76/1067501476.db2.gz GRCSJQMSMNZCDI-HNNXBMFYSA-N 0 0 456.812 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944061 1067501524 /nfs/dbraw/zinc/50/15/24/1067501524.db2.gz PIXRTKIWIUOLIC-SQHAQQRYSA-N 0 0 455.643 4.900 20 0 JJADRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC001459944870 1067501826 /nfs/dbraw/zinc/50/18/26/1067501826.db2.gz DJYBKYGMJLKVBZ-JOCHJYFZSA-N 0 0 452.473 4.641 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(-c3cccnc3)s2)cc1 ZINC001459945225 1067501954 /nfs/dbraw/zinc/50/19/54/1067501954.db2.gz SCHSBAMMTBAXOR-SFHVURJKSA-N 0 0 452.605 4.656 20 0 JJADRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001459947023 1067502555 /nfs/dbraw/zinc/50/25/55/1067502555.db2.gz MXHOQJPCIKHCHT-ACJLOTCBSA-N 0 0 458.274 4.820 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)c1C ZINC001459947761 1067502886 /nfs/dbraw/zinc/50/28/86/1067502886.db2.gz ULSNJYQQJCSHIF-UHFFFAOYSA-N 0 0 452.507 4.548 20 0 JJADRN COCCC[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001459947976 1067503005 /nfs/dbraw/zinc/50/30/05/1067503005.db2.gz ZYUDOHYJUTXPLW-FQEVSTJZSA-N 0 0 453.970 4.652 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)cc1 ZINC001459948093 1067503069 /nfs/dbraw/zinc/50/30/69/1067503069.db2.gz VUAOCEXAFGVCOJ-UHFFFAOYSA-N 0 0 458.518 4.705 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC001459949749 1067503873 /nfs/dbraw/zinc/50/38/73/1067503873.db2.gz CSUVVXHXUGWKFV-SNVBAGLBSA-N 0 0 456.749 4.640 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(c3ccncc3)CC2)cc1 ZINC001459952885 1067505417 /nfs/dbraw/zinc/50/54/17/1067505417.db2.gz QOKFXFZVSOSNQD-IBGZPJMESA-N 0 0 458.562 4.549 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C)CC[C@H]3c3ccccc3)CC2)c(C)c1 ZINC001459956320 1067506504 /nfs/dbraw/zinc/50/65/04/1067506504.db2.gz DJYAYFFHYVMSTQ-YKSBVNFPSA-N 0 0 454.636 4.704 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1 ZINC001459959647 1067508016 /nfs/dbraw/zinc/50/80/16/1067508016.db2.gz NALNKWUTEHBSLZ-ZIAGYGMSSA-N 0 0 456.427 4.601 20 0 JJADRN CCOC(=O)[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)c2ccccc21 ZINC001459960161 1067508116 /nfs/dbraw/zinc/50/81/16/1067508116.db2.gz FUXHIQPNTKNJQY-FQEVSTJZSA-N 0 0 452.352 4.963 20 0 JJADRN Cc1nc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)sc1C(F)(F)F ZINC001459960401 1067508160 /nfs/dbraw/zinc/50/81/60/1067508160.db2.gz SWAZXXYOQUELJL-UHFFFAOYSA-N 0 0 450.467 4.547 20 0 JJADRN COc1cc(NC(=O)CCN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(OC)cc1Cl ZINC001459964580 1067509535 /nfs/dbraw/zinc/50/95/35/1067509535.db2.gz SOZGCRGQXZYIQL-HXUWFJFHSA-N 0 0 457.329 4.552 20 0 JJADRN CC(=O)N(c1nc(CN2CCOC[C@H]2CC(=O)c2ccco2)cs1)c1ccc(Cl)cc1 ZINC001459965325 1067509952 /nfs/dbraw/zinc/50/99/52/1067509952.db2.gz ICYXPWWQEDTOEY-LJQANCHMSA-N 0 0 459.955 4.548 20 0 JJADRN O=C(CN1CCOC[C@@H]1CC(=O)c1ccco1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001459967345 1067510368 /nfs/dbraw/zinc/51/03/68/1067510368.db2.gz LUAKHYRWNGWXAU-SFHVURJKSA-N 0 0 454.910 4.638 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001459971040 1067510699 /nfs/dbraw/zinc/51/06/99/1067510699.db2.gz FOWHNYIMQPRTQB-UHFFFAOYSA-N 0 0 458.990 4.505 20 0 JJADRN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459971007 1067510787 /nfs/dbraw/zinc/51/07/87/1067510787.db2.gz DLKOWRCEIVQXAD-QFIPXVFZSA-N 0 0 450.476 4.955 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972490 1067511005 /nfs/dbraw/zinc/51/10/05/1067511005.db2.gz WJWSIPBAQGNKNZ-APWZRJJASA-N 0 0 456.414 4.646 20 0 JJADRN CC(C)(CNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)Oc1cc(F)cc(F)c1 ZINC001459972696 1067511150 /nfs/dbraw/zinc/51/11/50/1067511150.db2.gz OBMBCOZHIOZFEG-UHFFFAOYSA-N 0 0 454.502 4.861 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459972915 1067511173 /nfs/dbraw/zinc/51/11/73/1067511173.db2.gz CZWRDIDTRRCALX-QFIPXVFZSA-N 0 0 451.567 4.545 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459973997 1067511849 /nfs/dbraw/zinc/51/18/49/1067511849.db2.gz GMJWVSWYAQQHPQ-NTKDMRAZSA-N 0 0 452.595 4.915 20 0 JJADRN Cn1nc(Br)cc1C(=O)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001459974471 1067511871 /nfs/dbraw/zinc/51/18/71/1067511871.db2.gz JCVYAZONGXUIJA-CYBMUJFWSA-N 0 0 450.551 4.505 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc2cc(Br)cnc21 ZINC001459974965 1067512253 /nfs/dbraw/zinc/51/22/53/1067512253.db2.gz DSNDKGAQXRLHFF-UHFFFAOYSA-N 0 0 454.324 4.680 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(C)c2cc(Br)ccc21 ZINC001459975909 1067512673 /nfs/dbraw/zinc/51/26/73/1067512673.db2.gz MNSHTBAJDNOTAO-UHFFFAOYSA-N 0 0 459.775 4.752 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001459977167 1067512874 /nfs/dbraw/zinc/51/28/74/1067512874.db2.gz YJEYJEYVVVSXHY-UHFFFAOYSA-N 0 0 452.477 4.838 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(Cc2ccccc2Cl)CC2CC2)cc1 ZINC001459977713 1067513180 /nfs/dbraw/zinc/51/31/80/1067513180.db2.gz UFMZZWVXBFQLHE-JOCHJYFZSA-N 0 0 459.011 4.693 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2nccnc2c1Br ZINC001459978475 1067513563 /nfs/dbraw/zinc/51/35/63/1067513563.db2.gz ANQKMPJBGRVVOX-UHFFFAOYSA-N 0 0 458.703 4.667 20 0 JJADRN COc1ccc(C(NC(=O)CN2CCC[C@@H]2c2csc(C)n2)c2ccc(OC)cc2)cc1 ZINC001459977912 1067513626 /nfs/dbraw/zinc/51/36/26/1067513626.db2.gz ABUICOKVKBPSOT-HSZRJFAPSA-N 0 0 451.592 4.511 20 0 JJADRN CC[C@@](NC(=O)CSc1cccc(Br)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459980352 1067514273 /nfs/dbraw/zinc/51/42/73/1067514273.db2.gz NGTWWMHQQXOZGP-IBGZPJMESA-N 0 0 456.789 4.789 20 0 JJADRN Cn1c2ccccc2nc1[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001459982504 1067515329 /nfs/dbraw/zinc/51/53/29/1067515329.db2.gz FMAQZVLKRNAHSS-AUSIDOKSSA-N 0 0 455.480 4.711 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC001459985173 1067515515 /nfs/dbraw/zinc/51/55/15/1067515515.db2.gz IXIZCVBGMFRJRT-UHFFFAOYSA-N 0 0 452.857 4.779 20 0 JJADRN COc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Cl)cc1C(=O)N(C)C ZINC001459985232 1067515675 /nfs/dbraw/zinc/51/56/75/1067515675.db2.gz JSMZCSKUDOAZEV-UHFFFAOYSA-N 0 0 451.910 4.555 20 0 JJADRN CNS(=O)(=O)c1cc(NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)ccc1F ZINC001459986322 1067515998 /nfs/dbraw/zinc/51/59/98/1067515998.db2.gz AMWMMKXKOGPFLI-CMRRMYCHSA-N 0 0 471.381 4.878 20 0 JJADRN CCOc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C ZINC001459986156 1067516062 /nfs/dbraw/zinc/51/60/62/1067516062.db2.gz CIMOBTCLOKSFNI-QGZVFWFLSA-N 0 0 450.322 4.544 20 0 JJADRN COc1c(NC(=O)c2cc(Br)ccc2C2CC2)cc(Cl)cc1C(=O)N(C)C ZINC001459986053 1067516103 /nfs/dbraw/zinc/51/61/03/1067516103.db2.gz MUFAKVJOQBQKKK-UHFFFAOYSA-N 0 0 451.748 4.943 20 0 JJADRN Cn1c2ccccc2nc1[C@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987654 1067516291 /nfs/dbraw/zinc/51/62/91/1067516291.db2.gz UBNSLKOAYAVJOX-AUSIDOKSSA-N 0 0 456.373 4.999 20 0 JJADRN COCC1(CNC(=O)CCSc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459989496 1067517101 /nfs/dbraw/zinc/51/71/01/1067517101.db2.gz REFLGNONCXNOLX-UHFFFAOYSA-N 0 0 457.036 4.602 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N(CCn3ccnc3)C3CCSCC3)c2)no1 ZINC001459991792 1067518066 /nfs/dbraw/zinc/51/80/66/1067518066.db2.gz MSNJFDRPPNXVSY-UHFFFAOYSA-N 0 0 453.612 4.560 20 0 JJADRN COCC1(CNC(=O)c2cc(Cl)ccc2OC(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459993069 1067518438 /nfs/dbraw/zinc/51/84/38/1067518438.db2.gz YSYYQCLMTIHIAZ-UHFFFAOYSA-N 0 0 454.995 4.521 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c(=O)oc2c1 ZINC001459992451 1067518522 /nfs/dbraw/zinc/51/85/22/1067518522.db2.gz HMTJEFWSPKYENC-UHFFFAOYSA-N 0 0 454.498 4.588 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1c(F)cccc1F ZINC001459995218 1067518779 /nfs/dbraw/zinc/51/87/79/1067518779.db2.gz OBBJBPBGDLWDEF-OXJNMPFZSA-N 0 0 454.439 4.957 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1c(F)cccc1F ZINC001459995225 1067519219 /nfs/dbraw/zinc/51/92/19/1067519219.db2.gz OBBJBPBGDLWDEF-UZLBHIALSA-N 0 0 454.439 4.957 20 0 JJADRN O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001459995814 1067519464 /nfs/dbraw/zinc/51/94/64/1067519464.db2.gz MGDTVQBZOHDLBR-ZWKOTPCHSA-N 0 0 456.258 4.919 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)c1C ZINC001459999028 1067520688 /nfs/dbraw/zinc/52/06/88/1067520688.db2.gz QYBKHMRHEBMWTL-HXUWFJFHSA-N 0 0 451.336 4.633 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999429 1067521194 /nfs/dbraw/zinc/52/11/94/1067521194.db2.gz ZEMISGQYIYAGCT-CLOONOSVSA-N 0 0 458.562 4.754 20 0 JJADRN CC(=O)NCCN(CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)Cc1ccsc1 ZINC001460001248 1067521927 /nfs/dbraw/zinc/52/19/27/1067521927.db2.gz FYYNRUULZBUYEM-UHFFFAOYSA-N 0 0 457.983 4.771 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cccc(-c3ccccn3)c2)cc1 ZINC001460003128 1067522834 /nfs/dbraw/zinc/52/28/34/1067522834.db2.gz CIWZABDDUZBJMI-LJQANCHMSA-N 0 0 450.560 4.669 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460004892 1067523133 /nfs/dbraw/zinc/52/31/33/1067523133.db2.gz IUEVZIVJQPFWTR-MDASCCDHSA-N 0 0 450.519 4.630 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc(-c3ccccn3)c2)c1 ZINC001460004206 1067523195 /nfs/dbraw/zinc/52/31/95/1067523195.db2.gz GEDVPMIDZAIOKU-UHFFFAOYSA-N 0 0 458.967 4.790 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460004867 1067523282 /nfs/dbraw/zinc/52/32/82/1067523282.db2.gz IUEVZIVJQPFWTR-CCKFTAQKSA-N 0 0 450.519 4.630 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccnc1C(F)(F)F ZINC001460006295 1067523959 /nfs/dbraw/zinc/52/39/59/1067523959.db2.gz NTSQSEQBOJQZOU-GOSISDBHSA-N 0 0 451.489 4.903 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC001460007876 1067524761 /nfs/dbraw/zinc/52/47/61/1067524761.db2.gz JLWXOWVGANZYES-INIZCTEOSA-N 0 0 450.421 4.541 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C ZINC001460009651 1067525568 /nfs/dbraw/zinc/52/55/68/1067525568.db2.gz RUOLYWZBYHTECX-UHFFFAOYSA-N 0 0 451.527 4.797 20 0 JJADRN CCOC(=O)C1=C(CN(CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1 ZINC001460009657 1067525670 /nfs/dbraw/zinc/52/56/70/1067525670.db2.gz VJCXHUBHLUALGM-QFIPXVFZSA-N 0 0 457.958 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOC(=O)Cc2ccccc2)[C@@H](c2cccc(Cl)c2)C1 ZINC001460010175 1067525981 /nfs/dbraw/zinc/52/59/81/1067525981.db2.gz ZYMGEWBZTHNBDE-JOCHJYFZSA-N 0 0 458.986 4.720 20 0 JJADRN COc1ccc2c(c1)OCCN(CC(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)C2 ZINC001460011459 1067526406 /nfs/dbraw/zinc/52/64/06/1067526406.db2.gz KXGPFLXOGJGMQX-UHFFFAOYSA-N 0 0 451.592 4.949 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC001460012565 1067526721 /nfs/dbraw/zinc/52/67/21/1067526721.db2.gz APTDCRNWSPWAKO-UHFFFAOYSA-N 0 0 457.324 4.885 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)ccc1Cl ZINC001460012603 1067526790 /nfs/dbraw/zinc/52/67/90/1067526790.db2.gz BENNNYJUNINXNA-KRWDZBQOSA-N 0 0 453.004 4.690 20 0 JJADRN COC(=O)c1ccc2[nH]c(CN3CCC(F)(c4ccccc4OC(F)(F)F)CC3)nc2c1 ZINC001460014271 1067527792 /nfs/dbraw/zinc/52/77/92/1067527792.db2.gz CHASHUNIMOUYEH-UHFFFAOYSA-N 0 0 451.420 4.709 20 0 JJADRN OC[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC001460014918 1067528403 /nfs/dbraw/zinc/52/84/03/1067528403.db2.gz GJYLNSCZKRENOZ-CQSZACIVSA-N 0 0 452.654 4.673 20 0 JJADRN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001460018415 1067529655 /nfs/dbraw/zinc/52/96/55/1067529655.db2.gz DADNQVHWZQHYJN-HSZRJFAPSA-N 0 0 458.574 4.631 20 0 JJADRN CO[C@H](C)c1nsc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)n1 ZINC001460017962 1067529787 /nfs/dbraw/zinc/52/97/87/1067529787.db2.gz UGESDHOODQKZDP-SNVBAGLBSA-N 0 0 451.371 4.807 20 0 JJADRN CCOCc1ccccc1CNC(=O)CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001460018984 1067530243 /nfs/dbraw/zinc/53/02/43/1067530243.db2.gz KUFAVCZRDWNREI-UHFFFAOYSA-N 0 0 452.492 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)O2 ZINC001460019370 1067530553 /nfs/dbraw/zinc/53/05/53/1067530553.db2.gz TUQSRWVMMQSSIB-CJNGLKHVSA-N 0 0 452.876 4.841 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc(Cl)cnc1OC(C)C ZINC001460023842 1067532348 /nfs/dbraw/zinc/53/23/48/1067532348.db2.gz QMYCVMBUQZQITE-AWEZNQCLSA-N 0 0 457.017 4.825 20 0 JJADRN Cc1cc([C@H]2CCCN2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025455 1067532781 /nfs/dbraw/zinc/53/27/81/1067532781.db2.gz VKDPDIDMPHCWQJ-OAQYLSRUSA-N 0 0 452.414 4.767 20 0 JJADRN CC1=C(Br)CN(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC001460027729 1067533015 /nfs/dbraw/zinc/53/30/15/1067533015.db2.gz CGWTURBNEXAFHJ-FQEVSTJZSA-N 0 0 452.396 4.791 20 0 JJADRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cccnc1OCc1ccccc1F ZINC001460028994 1067533488 /nfs/dbraw/zinc/53/34/88/1067533488.db2.gz DPIQGJROCYIPEF-HXUWFJFHSA-N 0 0 456.315 4.838 20 0 JJADRN CCCCc1cnc(NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)nc1 ZINC001460029328 1067533584 /nfs/dbraw/zinc/53/35/84/1067533584.db2.gz HMCNZSFBGKCVCH-UHFFFAOYSA-N 0 0 457.534 4.941 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)CN(C)CCOc3ccccc3C(C)(C)C)n2)CC1 ZINC001460028814 1067533667 /nfs/dbraw/zinc/53/36/67/1067533667.db2.gz FLCJZBZPPDEWND-UHFFFAOYSA-N 0 0 458.672 4.622 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC001460030116 1067534026 /nfs/dbraw/zinc/53/40/26/1067534026.db2.gz IQRNYMIPIXTAND-UHFFFAOYSA-N 0 0 455.551 4.872 20 0 JJADRN Cn1cc([C@@H](NCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)C(F)(F)F)cn1 ZINC001460031307 1067534547 /nfs/dbraw/zinc/53/45/47/1067534547.db2.gz SFZVAIWVEYSFBS-GOSISDBHSA-N 0 0 451.518 4.673 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC001460036352 1067535584 /nfs/dbraw/zinc/53/55/84/1067535584.db2.gz XPFAZZFXLNZCTB-OFNKIYASSA-N 0 0 455.558 4.793 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCc2ccc(Br)cc2C1 ZINC001460036467 1067535594 /nfs/dbraw/zinc/53/55/94/1067535594.db2.gz YJVAJDBWHZYOHD-LLVKDONJSA-N 0 0 457.137 4.703 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Oc3ccc(NC(C)=O)c(F)c3F)ccc21 ZINC001460035141 1067535604 /nfs/dbraw/zinc/53/56/04/1067535604.db2.gz BWICGDIAVASXPT-UHFFFAOYSA-N 0 0 451.429 4.549 20 0 JJADRN CC(C)(C)n1cc(CN(CCOc2cccc(Br)c2)C[C@H]2CCCS2)nn1 ZINC001460038535 1067536114 /nfs/dbraw/zinc/53/61/14/1067536114.db2.gz MOSDBZKBCPQQFA-LJQANCHMSA-N 0 0 453.450 4.572 20 0 JJADRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460040807 1067536424 /nfs/dbraw/zinc/53/64/24/1067536424.db2.gz SPZDJCOQFUNGIG-HJPURHCSSA-N 0 0 456.512 4.768 20 0 JJADRN CN(C(=O)CN1CC(C)(C)N(C)c2cc(Br)ccc21)c1nc2ccccc2s1 ZINC001460044660 1067537431 /nfs/dbraw/zinc/53/74/31/1067537431.db2.gz IOAIUODNKSPGSV-UHFFFAOYSA-N 0 0 459.413 4.757 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC001460056893 1067540635 /nfs/dbraw/zinc/54/06/35/1067540635.db2.gz SGCYBEHCUFMLBS-IRXDYDNUSA-N 0 0 454.379 4.569 20 0 JJADRN O=C(CN[C@H](CO)c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F ZINC001460055206 1067540684 /nfs/dbraw/zinc/54/06/84/1067540684.db2.gz MVKHEHOHRNCDBZ-CQSZACIVSA-N 0 0 456.770 4.519 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC001460056895 1067541026 /nfs/dbraw/zinc/54/10/26/1067541026.db2.gz SGCYBEHCUFMLBS-SJORKVTESA-N 0 0 454.379 4.569 20 0 JJADRN OC[C@H](NCc1cc(Br)ccc1OC(F)F)c1ccccc1OC(F)(F)F ZINC001460057695 1067541458 /nfs/dbraw/zinc/54/14/58/1067541458.db2.gz YZFNIMLCKGEADC-ZDUSSCGKSA-N 0 0 456.205 4.772 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Nc1cccc(N3C(=O)N[C@H](C)C3=O)c1C)ccc2Br ZINC001460061115 1067542147 /nfs/dbraw/zinc/54/21/47/1067542147.db2.gz IOFKEGUPFQOVEQ-GFCCVEGCSA-N 0 0 456.296 4.509 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCOC2=O)CCS1 ZINC001546113587 1067542306 /nfs/dbraw/zinc/54/23/06/1067542306.db2.gz DJAWZDGYTITYCK-SFHVURJKSA-N 0 0 491.633 4.512 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC001460062184 1067542436 /nfs/dbraw/zinc/54/24/36/1067542436.db2.gz RVPMJODLKFKHNV-UHFFFAOYSA-N 0 0 450.520 4.564 20 0 JJADRN C[C@@H](OC(=O)c1cccnc1Br)c1ccc(F)c(I)c1 ZINC001460063513 1067543324 /nfs/dbraw/zinc/54/33/24/1067543324.db2.gz WAXXBHWCCMQHFB-MRVPVSSYSA-N 0 0 450.045 4.506 20 0 JJADRN C[C@H](OC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)c1ccc(F)c(I)c1 ZINC001460063716 1067543339 /nfs/dbraw/zinc/54/33/39/1067543339.db2.gz XPGUVEUCGODXSO-IUCAKERBSA-N 0 0 456.177 4.511 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066834 1067543991 /nfs/dbraw/zinc/54/39/91/1067543991.db2.gz TYMARJLKXBEGHJ-NIRIFSCTSA-N 0 0 454.636 4.640 20 0 JJADRN Cn1c(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21 ZINC001460067057 1067544708 /nfs/dbraw/zinc/54/47/08/1067544708.db2.gz CZLCFGDIZJGXFB-MRXNPFEDSA-N 0 0 451.409 4.605 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)CCCCC2)cc1 ZINC001460070357 1067545596 /nfs/dbraw/zinc/54/55/96/1067545596.db2.gz ISNNCCPSKGKVGL-VQTJNVASSA-N 0 0 450.545 4.881 20 0 JJADRN COc1cc2ncn(CCCC(=O)N(CC(C)C)c3cccc(Cl)c3)c(=O)c2cc1OC ZINC001460069974 1067545662 /nfs/dbraw/zinc/54/56/62/1067545662.db2.gz YHDGCCWZPCOFMH-UHFFFAOYSA-N 0 0 457.958 4.537 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070538 1067545682 /nfs/dbraw/zinc/54/56/82/1067545682.db2.gz QGHNMJJYMXCQRC-IBGZPJMESA-N 0 0 450.377 4.937 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460071004 1067546063 /nfs/dbraw/zinc/54/60/63/1067546063.db2.gz JRLXKJILHFBFOJ-LSDHHAIUSA-N 0 0 451.316 4.575 20 0 JJADRN O=C(CN1CCCC[C@H]1COC(=O)N1CCCCC1)Nc1ccccc1Oc1ccccc1 ZINC001460073439 1067546704 /nfs/dbraw/zinc/54/67/04/1067546704.db2.gz YWJUURRJBWBXLO-NRFANRHFSA-N 0 0 451.567 4.894 20 0 JJADRN COC(=O)[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(OC)c(Cl)c1 ZINC001460073598 1067546783 /nfs/dbraw/zinc/54/67/83/1067546783.db2.gz IPHRLWOLCUJUOC-ZEQRLZLVSA-N 0 0 458.986 4.590 20 0 JJADRN FC(F)(F)c1ccc(N2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)c(Cl)c1 ZINC001460076735 1067548061 /nfs/dbraw/zinc/54/80/61/1067548061.db2.gz PWKJBRVHESWZFV-UHFFFAOYSA-N 0 0 453.936 4.513 20 0 JJADRN CCc1ccc([C@H](NC(=O)CN(C)Cc2nc(-c3cccs3)no2)c2cccs2)cc1 ZINC001460077378 1067548084 /nfs/dbraw/zinc/54/80/84/1067548084.db2.gz DHSMUFVWJIUVLV-QFIPXVFZSA-N 0 0 452.605 4.760 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(Cl)cc2)C1 ZINC001546113691 1067548414 /nfs/dbraw/zinc/54/84/14/1067548414.db2.gz HXNPIMXVFBZERG-RXVVDRJESA-N 0 0 463.022 4.751 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001460081468 1067548821 /nfs/dbraw/zinc/54/88/21/1067548821.db2.gz ZNNHGRRLTSBEAN-IFMALSPDSA-N 0 0 458.558 4.797 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3cccc(Br)c3)CC2)c(Cl)c1 ZINC001460084472 1067550302 /nfs/dbraw/zinc/55/03/02/1067550302.db2.gz BQFUPORFMHWMSI-MRXNPFEDSA-N 0 0 450.808 4.869 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H](C)c1ccccc1Cl ZINC001460089008 1067551231 /nfs/dbraw/zinc/55/12/31/1067551231.db2.gz QNUHAZFFXZEAGB-HNNXBMFYSA-N 0 0 458.958 4.994 20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460089044 1067551363 /nfs/dbraw/zinc/55/13/63/1067551363.db2.gz JADZQNSXUHIESF-AREMUKBSSA-N 0 0 458.537 4.598 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089945 1067551735 /nfs/dbraw/zinc/55/17/35/1067551735.db2.gz KCDLBWRRMPVCBN-IBGZPJMESA-N 0 0 450.377 4.985 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3c2cccc3C)CCS1 ZINC001546113801 1067551855 /nfs/dbraw/zinc/55/18/55/1067551855.db2.gz LJVYFOHYUNGCPG-UHFFFAOYSA-N 0 0 468.671 4.561 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCOCC12CCCCC2 ZINC001460094858 1067552963 /nfs/dbraw/zinc/55/29/63/1067552963.db2.gz RQTHVFCULBQJQZ-UHFFFAOYSA-N 0 0 454.135 4.773 20 0 JJADRN O=C(Nc1nc(C(F)(F)F)c(I)s1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001460096227 1067553517 /nfs/dbraw/zinc/55/35/17/1067553517.db2.gz DFRBFGJCPVFDPO-ISVAXAHUSA-N 0 0 456.202 4.590 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2snnc2C)CCS1 ZINC001546113847 1067554027 /nfs/dbraw/zinc/55/40/27/1067554027.db2.gz MRBDJJYUZOGGDT-INIZCTEOSA-N 0 0 476.647 4.877 20 0 JJADRN CO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001460098857 1067554799 /nfs/dbraw/zinc/55/47/99/1067554799.db2.gz FGNQECXTDWEVTJ-LKRGOLFISA-N 0 0 450.982 4.583 20 0 JJADRN Cc1cccc(N(CC(C)(C)C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1 ZINC001460102520 1067555499 /nfs/dbraw/zinc/55/54/99/1067555499.db2.gz ZJKWAUZSXSUIKU-UHFFFAOYSA-N 0 0 452.605 4.969 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001460103686 1067555828 /nfs/dbraw/zinc/55/58/28/1067555828.db2.gz FLGOKNCEWIXXDY-QPTUXGOLSA-N 0 0 452.620 4.691 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001460103692 1067555926 /nfs/dbraw/zinc/55/59/26/1067555926.db2.gz FLGOKNCEWIXXDY-YFNKSVMNSA-N 0 0 452.620 4.691 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1Br ZINC001460106680 1067556282 /nfs/dbraw/zinc/55/62/82/1067556282.db2.gz ROJARXRNIGKEGC-ZWKOTPCHSA-N 0 0 450.398 4.556 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001460108187 1067556612 /nfs/dbraw/zinc/55/66/12/1067556612.db2.gz YOQDXDGJGCNFNG-ONTIZHBOSA-N 0 0 456.533 4.983 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)NCCOc1ccc(Cl)c(F)c1 ZINC001460112772 1067557639 /nfs/dbraw/zinc/55/76/39/1067557639.db2.gz MRBRSAAHWLUCEX-UHFFFAOYSA-N 0 0 451.119 4.859 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Oc1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC001460114865 1067558356 /nfs/dbraw/zinc/55/83/56/1067558356.db2.gz JBHOGCHXDKFPKN-UHFFFAOYSA-N 0 0 458.761 4.658 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@H]2C)CCS1 ZINC001546114008 1067559085 /nfs/dbraw/zinc/55/90/85/1067559085.db2.gz RWZYGKHUKFBVBX-WOVHNISZSA-N 0 0 488.698 4.687 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)OCCOC)n2CC2(C)Cc3ccccc3C2)CCS1 ZINC001546114013 1067559402 /nfs/dbraw/zinc/55/94/02/1067559402.db2.gz SCDLVWLOLILJHO-FQEVSTJZSA-N 0 0 472.699 4.919 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC(C)C)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001460123043 1067559700 /nfs/dbraw/zinc/55/97/00/1067559700.db2.gz OHYROPNAQZYKMG-NRFANRHFSA-N 0 0 450.457 4.905 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122646 1067559761 /nfs/dbraw/zinc/55/97/61/1067559761.db2.gz IIUWKMCVHIZRMB-QGZVFWFLSA-N 0 0 458.006 4.504 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CCS1 ZINC001546114030 1067559963 /nfs/dbraw/zinc/55/99/63/1067559963.db2.gz SMZFYDFMDZSLPA-IBGZPJMESA-N 0 0 492.661 4.601 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)[C@H]3C(F)(F)F)cc2)no1 ZINC001460125902 1067560113 /nfs/dbraw/zinc/56/01/13/1067560113.db2.gz TTYPJHYNTROBRD-CJNGLKHVSA-N 0 0 451.367 4.556 20 0 JJADRN O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460126963 1067560571 /nfs/dbraw/zinc/56/05/71/1067560571.db2.gz WEPIBWBCPZYDOE-ABAIWWIYSA-N 0 0 466.403 4.927 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN[C@H]3C[C@@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128744 1067560890 /nfs/dbraw/zinc/56/08/90/1067560890.db2.gz YIAIUCGPUCNFIR-LEWJYISDSA-N 0 0 450.608 4.826 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1csc(CCC(C)C)n1 ZINC001460132844 1067561248 /nfs/dbraw/zinc/56/12/48/1067561248.db2.gz CMIUBCOYAKFSSW-LJQANCHMSA-N 0 0 455.418 4.849 20 0 JJADRN CC(C)Oc1cccc(CNC(=O)CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001460135921 1067561907 /nfs/dbraw/zinc/56/19/07/1067561907.db2.gz DKYHFPFKBUHCNS-HTAPYJJXSA-N 0 0 450.501 4.571 20 0 JJADRN C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460138361 1067563104 /nfs/dbraw/zinc/56/31/04/1067563104.db2.gz QEXZKGJNPNCXDB-FZKQIMNGSA-N 0 0 457.290 4.868 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139421 1067563160 /nfs/dbraw/zinc/56/31/60/1067563160.db2.gz HXNDYSQUTQKAJR-HNNXBMFYSA-N 0 0 452.546 4.969 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CCS1 ZINC001546114140 1067563228 /nfs/dbraw/zinc/56/32/28/1067563228.db2.gz WTEDJUAMNZWFJN-LJQANCHMSA-N 0 0 463.717 4.649 20 0 JJADRN C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460138359 1067563249 /nfs/dbraw/zinc/56/32/49/1067563249.db2.gz QEXZKGJNPNCXDB-ACJLOTCBSA-N 0 0 457.290 4.868 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142274 1067563431 /nfs/dbraw/zinc/56/34/31/1067563431.db2.gz BCXBKZKMMOQOLG-FGTMMUONSA-N 0 0 455.624 4.651 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cc1OC ZINC001460143935 1067563803 /nfs/dbraw/zinc/56/38/03/1067563803.db2.gz PSSLJXJMFNOCMR-UHFFFAOYSA-N 0 0 457.958 4.613 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001460144744 1067564163 /nfs/dbraw/zinc/56/41/63/1067564163.db2.gz NBDKBQWOCFWHLU-UHFFFAOYSA-N 0 0 454.752 4.703 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001460145545 1067564479 /nfs/dbraw/zinc/56/44/79/1067564479.db2.gz QDODRBVFEYBQMD-UHFFFAOYSA-N 0 0 459.506 4.804 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001546114199 1067564677 /nfs/dbraw/zinc/56/46/77/1067564677.db2.gz YUZPOERCZGIAKI-UHFFFAOYSA-N 0 0 499.603 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001460147976 1067564918 /nfs/dbraw/zinc/56/49/18/1067564918.db2.gz CFSMWSBLRFZZJC-GOSISDBHSA-N 0 0 456.583 4.986 20 0 JJADRN CC(C)n1cc(C2=CCCN([C@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148085 1067564959 /nfs/dbraw/zinc/56/49/59/1067564959.db2.gz MYRHBQUXOLPBFA-HXUWFJFHSA-N 0 0 457.578 4.596 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2c(C)ccc(Br)c2C)cc1OC ZINC001460147967 1067565013 /nfs/dbraw/zinc/56/50/13/1067565013.db2.gz CBEFRQUWLSYTRW-UHFFFAOYSA-N 0 0 450.373 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001460148535 1067565179 /nfs/dbraw/zinc/56/51/79/1067565179.db2.gz FRADAPGDNAUXKH-IBGZPJMESA-N 0 0 452.636 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001460150720 1067565601 /nfs/dbraw/zinc/56/56/01/1067565601.db2.gz KOSPJZUVKALNRQ-JQHSSLGASA-N 0 0 456.505 4.985 20 0 JJADRN CC(C)(CO)[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccnc1 ZINC001460158014 1067566742 /nfs/dbraw/zinc/56/67/42/1067566742.db2.gz BDQXVVXJEUOMKF-HXUWFJFHSA-N 0 0 454.983 4.962 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1cccc(Br)c1 ZINC001460157420 1067566804 /nfs/dbraw/zinc/56/68/04/1067566804.db2.gz GUBLFXBGSMJQLY-RBUKOAKNSA-N 0 0 453.739 4.686 20 0 JJADRN Fc1cc(Br)ccc1CN(Cc1ncnn1-c1ccccc1)Cc1ccccn1 ZINC001460157650 1067566821 /nfs/dbraw/zinc/56/68/21/1067566821.db2.gz LIAWDZRHENEAHZ-UHFFFAOYSA-N 0 0 452.331 4.766 20 0 JJADRN CCOCc1ccccc1CNC(=O)CN1CCCC[C@@H]1Cc1ccccc1Br ZINC001460161271 1067567591 /nfs/dbraw/zinc/56/75/91/1067567591.db2.gz KYSKDPDNBJTYRG-JOCHJYFZSA-N 0 0 459.428 4.699 20 0 JJADRN Cc1ccccc1CN(CC(=O)NCCOc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC001460160947 1067567716 /nfs/dbraw/zinc/56/77/16/1067567716.db2.gz YJCGMRFDGIEWAQ-UHFFFAOYSA-N 0 0 457.496 4.606 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1cccc(C)c1Br ZINC001460167207 1067568282 /nfs/dbraw/zinc/56/82/82/1067568282.db2.gz FPYHQIJCBZRYKE-QGZVFWFLSA-N 0 0 453.174 4.620 20 0 JJADRN COc1ccc([C@H](OC(=O)c2ccc(I)cc2F)C(F)(F)F)cc1 ZINC001460167219 1067568396 /nfs/dbraw/zinc/56/83/96/1067568396.db2.gz KVBXGSPANPMJSH-AWEZNQCLSA-N 0 0 454.157 4.899 20 0 JJADRN COc1c(OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)ccc2ccccc21 ZINC001460169019 1067568746 /nfs/dbraw/zinc/56/87/46/1067568746.db2.gz YJVBAFNUGLOFJV-QZTJIDSGSA-N 0 0 453.560 4.734 20 0 JJADRN COc1cc(OC)c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1Cl ZINC001460169099 1067569321 /nfs/dbraw/zinc/56/93/21/1067569321.db2.gz GHDSPSIOTYWBJN-UHFFFAOYSA-N 0 0 452.382 4.550 20 0 JJADRN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174312 1067570438 /nfs/dbraw/zinc/57/04/38/1067570438.db2.gz WJKWTDBXKWYJCZ-HRAATJIYSA-N 0 0 455.352 4.892 20 0 JJADRN O=C(CN1CCc2c(Cl)cc(F)cc2C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460174762 1067570616 /nfs/dbraw/zinc/57/06/16/1067570616.db2.gz BURHBTAAXOTRQQ-UHFFFAOYSA-N 0 0 455.892 4.867 20 0 JJADRN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174358 1067570643 /nfs/dbraw/zinc/57/06/43/1067570643.db2.gz WJKWTDBXKWYJCZ-KKSFZXQISA-N 0 0 455.352 4.892 20 0 JJADRN Cc1c(C(=O)N(c2ccc(Br)cc2)C2CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001460179848 1067572238 /nfs/dbraw/zinc/57/22/38/1067572238.db2.gz CZTRIEDOUFZORL-UHFFFAOYSA-N 0 0 455.356 4.935 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184448 1067574121 /nfs/dbraw/zinc/57/41/21/1067574121.db2.gz XWVPOEQTKFUVAM-DENIHFKCSA-N 0 0 451.567 4.749 20 0 JJADRN COC(=O)c1ccc(CN2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)c(F)c1 ZINC001460187457 1067574659 /nfs/dbraw/zinc/57/46/59/1067574659.db2.gz JGIOTZPNCBYXKG-HNNXBMFYSA-N 0 0 451.311 4.893 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)c2csc(I)n2)c1Br ZINC001460190991 1067575313 /nfs/dbraw/zinc/57/53/13/1067575313.db2.gz RXDGWMXWOPKPIB-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN CCc1cc2oc(=O)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(F)F)c2cc1Cl ZINC001460192895 1067575638 /nfs/dbraw/zinc/57/56/38/1067575638.db2.gz GFRZHGNIAHKBMY-QGZVFWFLSA-N 0 0 456.917 4.695 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193472 1067576016 /nfs/dbraw/zinc/57/60/16/1067576016.db2.gz IWYQKFVAXFMKNL-UONOGXRCSA-N 0 0 454.771 4.779 20 0 JJADRN Cc1cc2oc(=O)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C(F)F)c2cc1C(C)C ZINC001460193554 1067576086 /nfs/dbraw/zinc/57/60/86/1067576086.db2.gz JAYCQCISKRQRTH-IBGZPJMESA-N 0 0 450.526 4.911 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)CN3CCCC[C@@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197048 1067576959 /nfs/dbraw/zinc/57/69/59/1067576959.db2.gz NOKLJGUKMZWUCA-OAQYLSRUSA-N 0 0 456.612 4.580 20 0 JJADRN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199179 1067577530 /nfs/dbraw/zinc/57/75/30/1067577530.db2.gz XKQRQTKDZHPQKH-MSOLQXFVSA-N 0 0 453.327 4.844 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCc2ccc(Br)c(C)c21 ZINC001460199813 1067577675 /nfs/dbraw/zinc/57/76/75/1067577675.db2.gz FCDYYFYLYSDQGD-UHFFFAOYSA-N 0 0 453.384 4.951 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3nccc4sccc43)CC2)c(Br)c1 ZINC001460199596 1067577684 /nfs/dbraw/zinc/57/76/84/1067577684.db2.gz XYKAJSABJWBNML-OAHLLOKOSA-N 0 0 459.413 4.516 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1c1ccc(F)cc1 ZINC001460207086 1067578899 /nfs/dbraw/zinc/57/88/99/1067578899.db2.gz IATFBQBDVREXMQ-VXNXHJTFSA-N 0 0 467.585 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCOc2ccc(F)c(Cl)c2)CC[C@H]2CCCC[C@@H]21 ZINC001460208726 1067579694 /nfs/dbraw/zinc/57/96/94/1067579694.db2.gz VFZGVWZIUZEUFV-XPGWFJOJSA-N 0 0 454.970 4.932 20 0 JJADRN CO[C@@H]1CCC[C@H]1NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC001460210363 1067580168 /nfs/dbraw/zinc/58/01/68/1067580168.db2.gz JCLDAYDSJPUJLS-CLJLJLNGSA-N 0 0 480.630 4.726 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@@](=O)C(C)(C)C)CCS1 ZINC001546114694 1067581445 /nfs/dbraw/zinc/58/14/45/1067581445.db2.gz CBKFQUQUMHJSCX-MGBGTMOVSA-N 0 0 494.727 4.622 20 0 JJADRN Cc1cc(Br)cc(C)c1NC(=O)CCCN([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001460223589 1067583457 /nfs/dbraw/zinc/58/34/57/1067583457.db2.gz CVOPPAIPVQNUHW-MRXNPFEDSA-N 0 0 453.421 4.979 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN3CCC([C@H](O)c4cc(F)ccc4F)CC3)cs2)c1 ZINC001460224673 1067583978 /nfs/dbraw/zinc/58/39/78/1067583978.db2.gz OJAOCRSNPIKDDQ-QFIPXVFZSA-N 0 0 458.530 4.821 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(F)cccc2F)CCS1 ZINC001546114827 1067584009 /nfs/dbraw/zinc/58/40/09/1067584009.db2.gz HYNUTUJYMLXCOX-RUZDIDTESA-N 0 0 494.652 4.952 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)CCS1 ZINC001546114974 1067586947 /nfs/dbraw/zinc/58/69/47/1067586947.db2.gz MUSZLKBQPSYGEH-HXUWFJFHSA-N 0 0 464.598 4.773 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237393 1067587850 /nfs/dbraw/zinc/58/78/50/1067587850.db2.gz LPGKDERWDZGESI-WIYYLYMNSA-N 0 0 456.656 4.670 20 0 JJADRN CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1ccccc1Br ZINC001460244157 1067589904 /nfs/dbraw/zinc/58/99/04/1067589904.db2.gz FYEJLWKBTFEZES-QFIPXVFZSA-N 0 0 455.352 4.845 20 0 JJADRN CCON(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC001460246539 1067590320 /nfs/dbraw/zinc/59/03/20/1067590320.db2.gz MIOGDZDFBFCYFC-CYBMUJFWSA-N 0 0 456.178 4.992 20 0 JJADRN Cc1ccc(C(=O)NCCc2ncccc2C)cc1NC(=O)c1ccc(Br)cc1 ZINC001460248044 1067590641 /nfs/dbraw/zinc/59/06/41/1067590641.db2.gz AIVCWZAANOBZNC-UHFFFAOYSA-N 0 0 452.352 4.686 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001460247264 1067590709 /nfs/dbraw/zinc/59/07/09/1067590709.db2.gz IYFJVTAZAMLACQ-MAUKXSAKSA-N 0 0 451.323 4.700 20 0 JJADRN Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC001460248117 1067590731 /nfs/dbraw/zinc/59/07/31/1067590731.db2.gz KGRBQFWXPFDXNC-OAHLLOKOSA-N 0 0 454.377 4.884 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC=CO2)CCS1 ZINC001546115067 1067591459 /nfs/dbraw/zinc/59/14/59/1067591459.db2.gz QJJQMRCIWNPOKJ-IBGZPJMESA-N 0 0 458.628 4.767 20 0 JJADRN COc1cc2c(cc1NC(=O)CN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1)oc1ccccc12 ZINC001460251701 1067591536 /nfs/dbraw/zinc/59/15/36/1067591536.db2.gz AOYDXFPQDYMQPT-DLBZAZTESA-N 0 0 452.551 4.833 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(Br)cnc2C)c2ccccc2)cc1 ZINC001460253240 1067591856 /nfs/dbraw/zinc/59/18/56/1067591856.db2.gz MTRORUTVJUZWFB-OAQYLSRUSA-N 0 0 452.352 4.961 20 0 JJADRN CC(C)(C)c1csc(C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC001460254496 1067592200 /nfs/dbraw/zinc/59/22/00/1067592200.db2.gz UWILUDOJSLWAQJ-AWEZNQCLSA-N 0 0 454.377 4.750 20 0 JJADRN OCC1([C@H](NCc2ncc(-c3ccccc3Br)o2)c2ccccc2)CCOCC1 ZINC001460257070 1067592612 /nfs/dbraw/zinc/59/26/12/1067592612.db2.gz ZBJYRRGSNJVBEI-JOCHJYFZSA-N 0 0 457.368 4.724 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)CCc3c(C)nc4ncnn4c3C)cc2nc1C(F)(F)F ZINC001460263712 1067593560 /nfs/dbraw/zinc/59/35/60/1067593560.db2.gz HDGFPDKNSSKPGI-LBPRGKRZSA-N 0 0 459.476 4.652 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)Cn3ncc(Br)c3C)cc2nc1C(F)(F)F ZINC001460265957 1067593849 /nfs/dbraw/zinc/59/38/49/1067593849.db2.gz KPDKGXWOTWIHGP-JTQLQIEISA-N 0 0 458.282 4.932 20 0 JJADRN CC[C@@H](C)n1c2ccc(NC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2nc1C(F)(F)F ZINC001460268779 1067593888 /nfs/dbraw/zinc/59/38/88/1067593888.db2.gz MWDTZKHGNHCYPH-CYBMUJFWSA-N 0 0 457.456 4.718 20 0 JJADRN CC[C@@H](C)n1c2ccc(NC(=O)Cn3ncc(Br)c3C)cc2nc1C(F)(F)F ZINC001460265959 1067593906 /nfs/dbraw/zinc/59/39/06/1067593906.db2.gz KPDKGXWOTWIHGP-SNVBAGLBSA-N 0 0 458.282 4.932 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(C)c(C)cc1Cl ZINC001460270066 1067594667 /nfs/dbraw/zinc/59/46/67/1067594667.db2.gz BWKTUDAFDOJFSJ-UHFFFAOYSA-N 0 0 450.988 4.782 20 0 JJADRN CN(C)c1nccc2cc(NC(=O)c3ccc(Cl)c(I)c3)ccc21 ZINC001460271238 1067594934 /nfs/dbraw/zinc/59/49/34/1067594934.db2.gz GTQJHIDMCCMDPN-UHFFFAOYSA-N 0 0 451.695 4.811 20 0 JJADRN COc1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1 ZINC001460271270 1067595056 /nfs/dbraw/zinc/59/50/56/1067595056.db2.gz JIORUZSPQZBQIG-UHFFFAOYSA-N 0 0 454.733 4.647 20 0 JJADRN C[C@@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)[C@H]1C(=O)OC(C)(C)C ZINC001460282301 1067597852 /nfs/dbraw/zinc/59/78/52/1067597852.db2.gz DWQLCSRTRHIIRZ-WZONZLPQSA-N 0 0 455.624 4.755 20 0 JJADRN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc(Br)sc1Br ZINC001460285324 1067598593 /nfs/dbraw/zinc/59/85/93/1067598593.db2.gz IIIJVNVFQFSSQF-LURJTMIESA-N 0 0 450.099 4.763 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CCS1 ZINC001546115260 1067598665 /nfs/dbraw/zinc/59/86/65/1067598665.db2.gz YESHGNRYOVRKLD-HXUWFJFHSA-N 0 0 455.672 4.633 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460287998 1067599240 /nfs/dbraw/zinc/59/92/40/1067599240.db2.gz SVFCZJDWZPOCQE-QGZVFWFLSA-N 0 0 454.368 4.512 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC001460287814 1067599255 /nfs/dbraw/zinc/59/92/55/1067599255.db2.gz XCNFKMXJKNXZAU-ZDUSSCGKSA-N 0 0 455.287 4.920 20 0 JJADRN O=C(CN1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293107 1067600040 /nfs/dbraw/zinc/60/00/40/1067600040.db2.gz BMQOMURAVMMJED-HXUWFJFHSA-N 0 0 455.530 4.924 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293211 1067600642 /nfs/dbraw/zinc/60/06/42/1067600642.db2.gz FGMMZWHGQZVRHN-YWZLYKJASA-N 0 0 457.640 4.974 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC001460298115 1067601442 /nfs/dbraw/zinc/60/14/42/1067601442.db2.gz GQOFBNDAQXXDCW-UHFFFAOYSA-N 0 0 451.285 4.876 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccccc3OCCF)nc2n1 ZINC001460299049 1067601448 /nfs/dbraw/zinc/60/14/48/1067601448.db2.gz TUEHNTAOZNFPLR-UHFFFAOYSA-N 0 0 451.527 4.634 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC001460300039 1067601452 /nfs/dbraw/zinc/60/14/52/1067601452.db2.gz BLRFLLPZJFZXIT-UYAOXDASSA-N 0 0 459.993 4.841 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC001460301735 1067602254 /nfs/dbraw/zinc/60/22/54/1067602254.db2.gz ZPYLERBVBIRGJT-UHFFFAOYSA-N 0 0 450.875 4.659 20 0 JJADRN CCCc1c(C(=O)OCc2cc3ccccc3n(C)c2=O)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001460304202 1067603292 /nfs/dbraw/zinc/60/32/92/1067603292.db2.gz MZKPNQIKENGYNN-UHFFFAOYSA-N 0 0 458.562 4.726 20 0 JJADRN O=C(COCc1nc2ccccc2s1)Nc1cc(Cl)ccc1I ZINC001460307077 1067603822 /nfs/dbraw/zinc/60/38/22/1067603822.db2.gz HKVCBMLNXXVWBM-UHFFFAOYSA-N 0 0 458.708 4.710 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)OCc3cn(CC(F)(F)c4ccccc4)nn3)o2)cc1 ZINC001460308467 1067604288 /nfs/dbraw/zinc/60/42/88/1067604288.db2.gz CVFFWEVLBJHWPB-UHFFFAOYSA-N 0 0 452.461 4.710 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001460308824 1067604580 /nfs/dbraw/zinc/60/45/80/1067604580.db2.gz UJGJGOSXKSHWRE-AGHHOFFYSA-N 0 0 453.587 4.545 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001460313611 1067605420 /nfs/dbraw/zinc/60/54/20/1067605420.db2.gz RECLFQSOGIKCDT-LLVKDONJSA-N 0 0 452.711 4.927 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC001460316642 1067606212 /nfs/dbraw/zinc/60/62/12/1067606212.db2.gz HDFNURWUDMJDFT-UHFFFAOYSA-N 0 0 459.512 4.848 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)c1ccccc1 ZINC001460316984 1067606434 /nfs/dbraw/zinc/60/64/34/1067606434.db2.gz QENZQPGSTNGFTE-MSOLQXFVSA-N 0 0 454.311 4.999 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ncc(-c3ccccc3F)o2)C1 ZINC001460317710 1067606736 /nfs/dbraw/zinc/60/67/36/1067606736.db2.gz NHJCNDYEJYOWPG-QMMLZNLJSA-N 0 0 459.562 4.908 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cnc2OC(C)C)c1 ZINC001460323678 1067608047 /nfs/dbraw/zinc/60/80/47/1067608047.db2.gz ISEQFHJWRVOUKR-UHFFFAOYSA-N 0 0 453.564 4.645 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)nn1-c1ccccc1Cl ZINC001460324543 1067608536 /nfs/dbraw/zinc/60/85/36/1067608536.db2.gz SXRFONMQEUGMOF-YCRPNKLZSA-N 0 0 451.958 4.887 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)CNC2(c3ccccc3Br)CCC2)cc1 ZINC001460331727 1067609863 /nfs/dbraw/zinc/60/98/63/1067609863.db2.gz MVDPVRUZZCUKLL-UHFFFAOYSA-N 0 0 458.400 4.539 20 0 JJADRN CC[C@H]1CN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)[C@@H](C)CO1 ZINC001460336872 1067610848 /nfs/dbraw/zinc/61/08/48/1067610848.db2.gz JJYXMSJJZLHJPZ-AVRDEDQJSA-N 0 0 453.583 4.982 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC/C=C\c1ccc(Br)cc1)N1CCCC1 ZINC001460339523 1067611485 /nfs/dbraw/zinc/61/14/85/1067611485.db2.gz HDGKKGSVTRELDO-WAYWQWQTSA-N 0 0 459.409 4.607 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC1=O ZINC001460344641 1067612886 /nfs/dbraw/zinc/61/28/86/1067612886.db2.gz QUSZLNFTHCMXHP-QZTJIDSGSA-N 0 0 450.970 4.709 20 0 JJADRN CC(C)(C)c1nc(C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)cs1 ZINC001460344140 1067612899 /nfs/dbraw/zinc/61/28/99/1067612899.db2.gz PTOFIDIVBSESDG-UHFFFAOYSA-N 0 0 455.393 4.864 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC001460345866 1067613355 /nfs/dbraw/zinc/61/33/55/1067613355.db2.gz STZDGLVWESYEMN-UHFFFAOYSA-N 0 0 453.716 4.811 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001460348633 1067614218 /nfs/dbraw/zinc/61/42/18/1067614218.db2.gz NMMBSJNMAUUPQB-AZNSAFFESA-N 0 0 454.533 4.715 20 0 JJADRN CS(=O)(=O)CC1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC001460348977 1067614262 /nfs/dbraw/zinc/61/42/62/1067614262.db2.gz JHHLSICKKKYFAM-UHFFFAOYSA-N 0 0 457.379 4.514 20 0 JJADRN CO[C@H]1COCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC001460350503 1067614493 /nfs/dbraw/zinc/61/44/93/1067614493.db2.gz REPUHNDBOQWYQX-LPHOPBHVSA-N 0 0 450.398 4.523 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC001460354198 1067615275 /nfs/dbraw/zinc/61/52/75/1067615275.db2.gz HVLCZTVXWYMJJS-VQIMIIECSA-N 0 0 455.917 4.821 20 0 JJADRN C[C@@H](OC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001460357801 1067616781 /nfs/dbraw/zinc/61/67/81/1067616781.db2.gz MOWBWDPOEYHMTC-OAHLLOKOSA-N 0 0 450.919 4.523 20 0 JJADRN CN(C)[C@@H](C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1c(F)cccc1Cl ZINC001460357412 1067616791 /nfs/dbraw/zinc/61/67/91/1067616791.db2.gz JNRRSLOMNPFIQM-GOSISDBHSA-N 0 0 451.727 4.669 20 0 JJADRN Brc1ccc([C@@H]2COCCN2Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC001460356897 1067616947 /nfs/dbraw/zinc/61/69/47/1067616947.db2.gz AGSRPEUXRFLJHV-KRWDZBQOSA-N 0 0 451.162 4.661 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460365178 1067618990 /nfs/dbraw/zinc/61/89/90/1067618990.db2.gz UXCJRWKEKLMQBK-VPKVUBIPSA-N 0 0 457.398 4.834 20 0 JJADRN CCN(CC)[C@H](C(=O)Nc1cc(COC)cc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC001460367565 1067620138 /nfs/dbraw/zinc/62/01/38/1067620138.db2.gz SEECFTOSPQDLKS-FQEVSTJZSA-N 0 0 452.473 4.660 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001460373312 1067620881 /nfs/dbraw/zinc/62/08/81/1067620881.db2.gz JCEXKCBYVMJGDM-XFQAVAEZSA-N 0 0 450.476 4.892 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001460375522 1067621237 /nfs/dbraw/zinc/62/12/37/1067621237.db2.gz LUNJAPKCBWFWML-SCLBCKFNSA-N 0 0 451.311 4.518 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001460374491 1067621276 /nfs/dbraw/zinc/62/12/76/1067621276.db2.gz AFJCEJWYEVYZLD-AEFFLSMTSA-N 0 0 454.901 4.938 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001460379319 1067622127 /nfs/dbraw/zinc/62/21/27/1067622127.db2.gz HYHKMEBWVMOIOE-UHFFFAOYSA-N 0 0 457.578 4.930 20 0 JJADRN CSCC1CCC(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 ZINC001460378882 1067622199 /nfs/dbraw/zinc/62/21/99/1067622199.db2.gz CPEGQLFHZUDQBM-UHFFFAOYSA-N 0 0 451.386 4.946 20 0 JJADRN CC(C)=CCOc1cccc(CC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC001460379512 1067622558 /nfs/dbraw/zinc/62/25/58/1067622558.db2.gz IDEOIXXIIPZATB-UHFFFAOYSA-N 0 0 456.586 4.938 20 0 JJADRN COc1ccc(-n2nc(C(=O)Nc3cccc(S(=O)(=O)C4CCCCC4)c3)cc2C)cc1 ZINC001460381147 1067622562 /nfs/dbraw/zinc/62/25/62/1067622562.db2.gz GPYLAULCKIHPSL-UHFFFAOYSA-N 0 0 453.564 4.548 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001460381316 1067622568 /nfs/dbraw/zinc/62/25/68/1067622568.db2.gz MXZUFVJKKGOCSH-UHFFFAOYSA-N 0 0 458.949 4.504 20 0 JJADRN CC1CCN(c2ccc(C(=O)N(C)CC(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001460380576 1067622599 /nfs/dbraw/zinc/62/25/99/1067622599.db2.gz LPEFRWCXNBGGEZ-UHFFFAOYSA-N 0 0 455.602 4.901 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOC[C@H](C3CCC3)C2)cc1)c1cccc(Br)c1 ZINC001460382812 1067622762 /nfs/dbraw/zinc/62/27/62/1067622762.db2.gz SDDCRTOURJIQEX-LJQANCHMSA-N 0 0 457.368 4.590 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)CC1=O ZINC001460383322 1067622786 /nfs/dbraw/zinc/62/27/86/1067622786.db2.gz UTMATPHGJDLIPQ-OAHLLOKOSA-N 0 0 453.901 4.850 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001460386045 1067623822 /nfs/dbraw/zinc/62/38/22/1067623822.db2.gz VVOXGLFNLFNEIE-UHFFFAOYSA-N 0 0 457.136 4.849 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC001546115947 1067624170 /nfs/dbraw/zinc/62/41/70/1067624170.db2.gz BBSHITBSYWNYES-SFHVURJKSA-N 0 0 497.631 4.950 20 0 JJADRN COC(=O)[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ccccc1F ZINC001460390494 1067624419 /nfs/dbraw/zinc/62/44/19/1067624419.db2.gz NCGAUDOQEQCENQ-STZQEDGTSA-N 0 0 460.521 4.562 20 0 JJADRN O=C(C1CCN(CC(F)(F)F)CC1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460389950 1067624437 /nfs/dbraw/zinc/62/44/37/1067624437.db2.gz FVLRXXHMDDCBSH-UHFFFAOYSA-N 0 0 456.306 4.652 20 0 JJADRN O=C(c1nscc1Br)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460391963 1067625317 /nfs/dbraw/zinc/62/53/17/1067625317.db2.gz MQIURZMWMPSBNO-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460398341 1067626502 /nfs/dbraw/zinc/62/65/02/1067626502.db2.gz BLXKMANAZSXIQM-RUZDIDTESA-N 0 0 455.602 4.582 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)c1 ZINC001460398390 1067626974 /nfs/dbraw/zinc/62/69/74/1067626974.db2.gz BYSUFOKFJQVBRG-CQSZACIVSA-N 0 0 451.626 4.916 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001460404229 1067627737 /nfs/dbraw/zinc/62/77/37/1067627737.db2.gz XXLGVVMKYDNSIC-QFIPXVFZSA-N 0 0 455.963 4.607 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)CCS1 ZINC001546116073 1067629603 /nfs/dbraw/zinc/62/96/03/1067629603.db2.gz GLTPWDRMKXMSQP-UHFFFAOYSA-N 0 0 485.698 4.714 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417090 1067631395 /nfs/dbraw/zinc/63/13/95/1067631395.db2.gz MHRMCXGJLFXWBN-PEYYIBSZSA-N 0 0 464.629 4.803 20 0 JJADRN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001460419640 1067631861 /nfs/dbraw/zinc/63/18/61/1067631861.db2.gz XGJLCTHFSWKXBW-VWLOTQADSA-N 0 0 452.576 4.764 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001460417107 1067631883 /nfs/dbraw/zinc/63/18/83/1067631883.db2.gz KMRSOHCETZQUEK-KSSFIOAISA-N 0 0 455.555 4.704 20 0 JJADRN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC001460423587 1067632107 /nfs/dbraw/zinc/63/21/07/1067632107.db2.gz DQEMXEMYIKXVNV-RUZDIDTESA-N 0 0 451.954 4.606 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)CC2 ZINC001460426432 1067632652 /nfs/dbraw/zinc/63/26/52/1067632652.db2.gz BUYMAMZWIDJHKR-DEOSSOPVSA-N 0 0 452.570 4.632 20 0 JJADRN Cc1nc([C@@](C)(NC(=O)c2cccc(OCc3ccccc3Br)c2)C2CC2)no1 ZINC001460424956 1067632811 /nfs/dbraw/zinc/63/28/11/1067632811.db2.gz SKCCYAQXLAUGMP-QFIPXVFZSA-N 0 0 456.340 4.775 20 0 JJADRN O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCOc2cc(F)c(Br)cc21 ZINC001460433735 1067633916 /nfs/dbraw/zinc/63/39/16/1067633916.db2.gz IQEWZONURDQMKC-UHFFFAOYSA-N 0 0 451.292 4.814 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)C2 ZINC001460435619 1067634330 /nfs/dbraw/zinc/63/43/30/1067634330.db2.gz ILSIURNLDQJEPA-GMAHTHKFSA-N 0 0 457.014 4.659 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cscc2Br)c1 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CCC1(CC)CN(c2nnc(CC(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCS1 ZINC001546117411 1067660261 /nfs/dbraw/zinc/66/02/61/1067660261.db2.gz FRBSNWGBZMNLRP-IBGZPJMESA-N 0 0 465.708 4.988 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC001460580366 1067660494 /nfs/dbraw/zinc/66/04/94/1067660494.db2.gz JVXRYOZOMCINJI-INIZCTEOSA-N 0 0 451.548 4.910 20 0 JJADRN Cc1cc(NC(=O)CC2CCC3(CC2)OCCO3)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001460582124 1067661179 /nfs/dbraw/zinc/66/11/79/1067661179.db2.gz QNWCUIQEUGJJSC-SFHVURJKSA-N 0 0 454.542 4.887 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001460582007 1067661265 /nfs/dbraw/zinc/66/12/65/1067661265.db2.gz OLTVKERHXMOHGB-LJQANCHMSA-N 0 0 450.760 4.885 20 0 JJADRN COc1cccc(CCC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1OC ZINC001460583290 1067661841 /nfs/dbraw/zinc/66/18/41/1067661841.db2.gz DUYFGXZCKRBXHF-UHFFFAOYSA-N 0 0 456.901 4.888 20 0 JJADRN O=C(CN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001460589349 1067663630 /nfs/dbraw/zinc/66/36/30/1067663630.db2.gz GJMKNVBSZHFIPM-FQEVSTJZSA-N 0 0 452.839 4.807 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001460591165 1067664208 /nfs/dbraw/zinc/66/42/08/1067664208.db2.gz FLEMWFNKXVJHRM-ZHRRBRCNSA-N 0 0 454.954 4.593 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001460598251 1067665998 /nfs/dbraw/zinc/66/59/98/1067665998.db2.gz SJBAYVMGQWLKRF-MSOLQXFVSA-N 0 0 450.284 4.810 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CCS1 ZINC001546117580 1067666955 /nfs/dbraw/zinc/66/69/55/1067666955.db2.gz KJFZFTXKZUNYDT-UHFFFAOYSA-N 0 0 471.715 4.923 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC001460601419 1067667184 /nfs/dbraw/zinc/66/71/84/1067667184.db2.gz AROXAWIHPAKNIY-HNNXBMFYSA-N 0 0 454.493 4.624 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(CCOC2CCSCC2)c2ccc(Br)cc21 ZINC001460603376 1067668053 /nfs/dbraw/zinc/66/80/53/1067668053.db2.gz CRCMPTSXJRPQCV-KRWDZBQOSA-N 0 0 456.446 4.997 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001460603379 1067668059 /nfs/dbraw/zinc/66/80/59/1067668059.db2.gz DMGUGPARAKYIDK-WMZHIEFXSA-N 0 0 454.567 4.819 20 0 JJADRN O=C(CN1c2ccccc2C[C@H]1Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 ZINC001460603396 1067668078 /nfs/dbraw/zinc/66/80/78/1067668078.db2.gz JSVIUCIRQMSAJQ-JOCHJYFZSA-N 0 0 454.492 4.918 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1nccn1-c1ccccc1 ZINC001460602801 1067668102 /nfs/dbraw/zinc/66/81/02/1067668102.db2.gz BMKBXAGQTYTQEF-GFCCVEGCSA-N 0 0 451.695 4.621 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O[C@@H]1CCc2cc(Br)cnc21 ZINC001460603644 1067668637 /nfs/dbraw/zinc/66/86/37/1067668637.db2.gz GHRKLFSOBQMQQI-IUODEOHRSA-N 0 0 457.777 4.544 20 0 JJADRN CN(C)c1cccnc1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001460603514 1067668744 /nfs/dbraw/zinc/66/87/44/1067668744.db2.gz FHVWAFWZNPVSHJ-UHFFFAOYSA-N 0 0 458.393 4.839 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001460606495 1067669086 /nfs/dbraw/zinc/66/90/86/1067669086.db2.gz BFDATIBOSUKAFT-DYESRHJHSA-N 0 0 456.562 4.710 20 0 JJADRN Cc1c(NC(=O)c2c(F)cccc2I)cnn1-c1ccc(Cl)cc1 ZINC001460607446 1067670176 /nfs/dbraw/zinc/67/01/76/1067670176.db2.gz NRTZKSGQWGKBFK-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN O[C@@H](CN1CCC[C@H]1c1ccc(Br)cc1Cl)c1cc(Br)no1 ZINC001460607937 1067670216 /nfs/dbraw/zinc/67/02/16/1067670216.db2.gz RGTQOSVHVVCGDF-STQMWFEESA-N 0 0 450.558 4.724 20 0 JJADRN CC(C)c1ccc2c(Cl)c(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)sc2c1 ZINC001460609016 1067670711 /nfs/dbraw/zinc/67/07/11/1067670711.db2.gz RHUIGBCYMIKHLA-ZDUSSCGKSA-N 0 0 457.923 4.657 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)COc1ccccc1C(C)(C)C ZINC001460610250 1067671272 /nfs/dbraw/zinc/67/12/72/1067671272.db2.gz UJECHJRZEBQLDL-UHFFFAOYSA-N 0 0 450.329 4.559 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC001460610780 1067671301 /nfs/dbraw/zinc/67/13/01/1067671301.db2.gz NXNBAWOQEOCOBK-HZPDHXFCSA-N 0 0 454.752 4.633 20 0 JJADRN CCOCc1nc([C@H](C)NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)no1 ZINC001460614326 1067672962 /nfs/dbraw/zinc/67/29/62/1067672962.db2.gz ZXONMCGMHCJHBN-HNNXBMFYSA-N 0 0 451.914 4.603 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)c(COC)c2)CCS1 ZINC001546117642 1067672969 /nfs/dbraw/zinc/67/29/69/1067672969.db2.gz LXUAOCZPHKFDAM-NRFANRHFSA-N 0 0 462.635 4.966 20 0 JJADRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)Cc1ccc(OC)cc1 ZINC001460615626 1067673612 /nfs/dbraw/zinc/67/36/12/1067673612.db2.gz BEDOUDAQXMEABZ-UHFFFAOYSA-N 0 0 452.576 4.979 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001460616608 1067674201 /nfs/dbraw/zinc/67/42/01/1067674201.db2.gz JOLRQSSBNAEFLI-AWEZNQCLSA-N 0 0 453.852 4.566 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CCS1 ZINC001546117680 1067674474 /nfs/dbraw/zinc/67/44/74/1067674474.db2.gz MUSWOWMSXXLHSN-JOCHJYFZSA-N 0 0 485.698 4.576 20 0 JJADRN Cc1c(F)cccc1N(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCO[C@@H]1C ZINC001460622681 1067675761 /nfs/dbraw/zinc/67/57/61/1067675761.db2.gz VLVCDWIWNARUTK-WHSLLNHNSA-N 0 0 454.464 4.894 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001460621468 1067675779 /nfs/dbraw/zinc/67/57/79/1067675779.db2.gz XCZPTORZJLIOPK-JOCHJYFZSA-N 0 0 458.599 4.734 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(C)C)CCS1 ZINC001546117723 1067676296 /nfs/dbraw/zinc/67/62/96/1067676296.db2.gz NQFOCMFLZZGMNP-JOCHJYFZSA-N 0 0 474.671 4.965 20 0 JJADRN CN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccccc1OCc1ccccc1 ZINC001460623780 1067676304 /nfs/dbraw/zinc/67/63/04/1067676304.db2.gz SQQNSBYRSIJUHD-UHFFFAOYSA-N 0 0 453.468 4.892 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC001460623784 1067676391 /nfs/dbraw/zinc/67/63/91/1067676391.db2.gz TVBJPPIMRPDAQV-JOCHJYFZSA-N 0 0 457.343 4.826 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1ccccc1[S@](=O)C(F)(F)F ZINC001460627307 1067677379 /nfs/dbraw/zinc/67/73/79/1067677379.db2.gz WGVHMQJBVFTKKT-SANMLTNESA-N 0 0 454.239 4.867 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)c2ccc(F)cc2)CCS1 ZINC001546117762 1067677416 /nfs/dbraw/zinc/67/74/16/1067677416.db2.gz OMUHNYYSFYVIMS-FPOVZHCZSA-N 0 0 462.635 4.811 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC1)CCC2 ZINC001460630731 1067678489 /nfs/dbraw/zinc/67/84/89/1067678489.db2.gz OLQIAEBIWJWCIL-DEOSSOPVSA-N 0 0 454.636 4.515 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H](C)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460631115 1067678496 /nfs/dbraw/zinc/67/84/96/1067678496.db2.gz ASOGAJRPHDDDNO-HUUCEWRRSA-N 0 0 455.498 4.957 20 0 JJADRN CCC1(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CCOCC1 ZINC001460633991 1067679512 /nfs/dbraw/zinc/67/95/12/1067679512.db2.gz GTJDFYQUNQVHQN-UHFFFAOYSA-N 0 0 451.276 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Cc3csc(-c4ccoc4)n3)cccc21 ZINC001460634692 1067680071 /nfs/dbraw/zinc/68/00/71/1067680071.db2.gz KOTSKMMYUHTDEA-UHFFFAOYSA-N 0 0 453.564 4.950 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 ZINC001460634697 1067680260 /nfs/dbraw/zinc/68/02/60/1067680260.db2.gz KXYHMVNJXMVCDN-UHFFFAOYSA-N 0 0 454.523 4.840 20 0 JJADRN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)n[nH]1 ZINC001460636549 1067680551 /nfs/dbraw/zinc/68/05/51/1067680551.db2.gz JTZNXRDSRJWLOC-DEOSSOPVSA-N 0 0 455.965 4.917 20 0 JJADRN CCc1ccc([C@H](NC(=O)CN2CCO[C@H](c3ccc(OC)cc3)C2)c2cccs2)cc1 ZINC001460639069 1067681539 /nfs/dbraw/zinc/68/15/39/1067681539.db2.gz HVDCCDUUXALCCW-OZXSUGGESA-N 0 0 450.604 4.598 20 0 JJADRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001460640364 1067682049 /nfs/dbraw/zinc/68/20/49/1067682049.db2.gz NBYMINDEBUCNAD-UHFFFAOYSA-N 0 0 456.905 4.637 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)CC2)cc1C ZINC001460642419 1067683040 /nfs/dbraw/zinc/68/30/40/1067683040.db2.gz SWWOHCUVOHPJJC-QFIPXVFZSA-N 0 0 456.380 4.629 20 0 JJADRN O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)c1cnc(Cl)c(Br)c1 ZINC001460643025 1067683126 /nfs/dbraw/zinc/68/31/26/1067683126.db2.gz LBXSRGWGDDQGAW-UHFFFAOYSA-N 0 0 459.727 4.785 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC001460644718 1067684043 /nfs/dbraw/zinc/68/40/43/1067684043.db2.gz NRHHONFSIMXPAE-HGPLWSSJSA-N 0 0 470.635 4.592 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001460645066 1067684679 /nfs/dbraw/zinc/68/46/79/1067684679.db2.gz QPOPHPWDQKCWIC-RUZDIDTESA-N 0 0 453.542 4.781 20 0 JJADRN CC1(C)[C@@H](c2ccccc2F)CCN1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001460645515 1067684720 /nfs/dbraw/zinc/68/47/20/1067684720.db2.gz UPWFJOQCWLCPQO-HSZRJFAPSA-N 0 0 459.565 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C2CC2)cc1F ZINC001460645271 1067684755 /nfs/dbraw/zinc/68/47/55/1067684755.db2.gz WUFJMUGKTZXCAJ-QHCPKHFHSA-N 0 0 451.542 4.937 20 0 JJADRN CC[C@H](C)[C@@H](OC)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001460647620 1067685345 /nfs/dbraw/zinc/68/53/45/1067685345.db2.gz CCAAHOPWPKKNQO-DOPDFTPFSA-N 0 0 457.542 4.627 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@H]1COc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC001460650869 1067687280 /nfs/dbraw/zinc/68/72/80/1067687280.db2.gz RMTKLHURVFQOII-KXBFYZLASA-N 0 0 450.457 4.564 20 0 JJADRN CC[C@H](C)CCC(=O)Nc1cc(I)cc(I)c1 ZINC001460654257 1067688909 /nfs/dbraw/zinc/68/89/09/1067688909.db2.gz YSYNKRZUDICNEA-VIFPVBQESA-N 0 0 457.093 4.661 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCc1ccc2sccc2c1 ZINC001460655193 1067689273 /nfs/dbraw/zinc/68/92/73/1067689273.db2.gz AVVMKBYRHABYFB-RUZDIDTESA-N 0 0 452.576 4.893 20 0 JJADRN CCCC[C@H](C(=O)Nc1cc(C)on1)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460660684 1067691952 /nfs/dbraw/zinc/69/19/52/1067691952.db2.gz QNXLGGXVJRNWNY-WIYYLYMNSA-N 0 0 456.587 4.684 20 0 JJADRN CCOC(=O)[C@H](N[C@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1F ZINC001460661735 1067691974 /nfs/dbraw/zinc/69/19/74/1067691974.db2.gz DXSXKYKDIFGQSQ-IEBWSBKVSA-N 0 0 454.336 4.951 20 0 JJADRN COCc1ccc(C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)cc1F ZINC001460664474 1067693015 /nfs/dbraw/zinc/69/30/15/1067693015.db2.gz IYQAFIGYEGBUAA-HNNXBMFYSA-N 0 0 451.311 4.893 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F ZINC001460666617 1067693517 /nfs/dbraw/zinc/69/35/17/1067693517.db2.gz RULXCDLZMNUJQK-BLLLJJGKSA-N 0 0 451.341 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H](C(F)F)C1 ZINC001460668022 1067693973 /nfs/dbraw/zinc/69/39/73/1067693973.db2.gz YVJUPKIHLMWFJN-IBGZPJMESA-N 0 0 452.448 4.958 20 0 JJADRN O=C(CSC[C@@H]1CCCCO1)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666694 1067694032 /nfs/dbraw/zinc/69/40/32/1067694032.db2.gz SMEHZRVBMWQVIQ-CABCVRRESA-N 0 0 457.409 4.596 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667292 1067694057 /nfs/dbraw/zinc/69/40/57/1067694057.db2.gz RBFLHROULWONNI-QGZVFWFLSA-N 0 0 451.436 4.780 20 0 JJADRN Cc1ccc(I)c(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001460668935 1067694132 /nfs/dbraw/zinc/69/41/32/1067694132.db2.gz WQKSTCGSYJSVHI-UHFFFAOYSA-N 0 0 455.164 4.827 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)s1 ZINC001460671071 1067694904 /nfs/dbraw/zinc/69/49/04/1067694904.db2.gz LXLYKKVUAIGABR-HNNXBMFYSA-N 0 0 452.523 4.750 20 0 JJADRN C[C@H](OC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(N(C)C)cn1 ZINC001460673822 1067695554 /nfs/dbraw/zinc/69/55/54/1067695554.db2.gz HRDIPSUGLWWYRO-NSHDSACASA-N 0 0 452.399 4.942 20 0 JJADRN CCN(CC)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(CC)[C@@H]3c3cccc(C)c3)sc2c1 ZINC001460672895 1067695563 /nfs/dbraw/zinc/69/55/63/1067695563.db2.gz GTHFCOWHTUEBRN-WMZHIEFXSA-N 0 0 450.608 4.999 20 0 JJADRN O=C(NCCCn1cc(Br)cn1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001460672763 1067695578 /nfs/dbraw/zinc/69/55/78/1067695578.db2.gz GRDZQQXQLLAMIV-UHFFFAOYSA-N 0 0 459.291 4.608 20 0 JJADRN COc1ccc([C@H]2COCCN2CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1 ZINC001460673629 1067695920 /nfs/dbraw/zinc/69/59/20/1067695920.db2.gz FPTFVBCKHYHVJZ-OAQYLSRUSA-N 0 0 451.592 4.954 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc(F)cc1I ZINC001460674632 1067696502 /nfs/dbraw/zinc/69/65/02/1067696502.db2.gz PRFCJUVFAOOUKC-UHFFFAOYSA-N 0 0 456.299 4.570 20 0 JJADRN O=C(c1ccc(N2CCCCCC2)nc1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460674983 1067696662 /nfs/dbraw/zinc/69/66/62/1067696662.db2.gz SBYGEDSORIMPAH-UHFFFAOYSA-N 0 0 450.764 4.917 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccc2ccccc2c1 ZINC001460677359 1067697090 /nfs/dbraw/zinc/69/70/90/1067697090.db2.gz RFXBJKRKQIBPRH-VWLOTQADSA-N 0 0 459.521 4.745 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)c1cccc2ccccc21 ZINC001460676956 1067697669 /nfs/dbraw/zinc/69/76/69/1067697669.db2.gz FBARAXNOFBMMQD-HXUWFJFHSA-N 0 0 456.329 4.757 20 0 JJADRN CC[C@@]1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)OCCc2ccccc21 ZINC001460676298 1067697729 /nfs/dbraw/zinc/69/77/29/1067697729.db2.gz UFOFHNCHRLMHFZ-UPVQGACJSA-N 0 0 457.412 4.580 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1Cn1ccnc1 ZINC001460679422 1067698644 /nfs/dbraw/zinc/69/86/44/1067698644.db2.gz FAZYFBQQFHARRS-UHFFFAOYSA-N 0 0 459.933 4.511 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CCS1 ZINC001546117818 1067698650 /nfs/dbraw/zinc/69/86/50/1067698650.db2.gz PZNZBSHJYZILNL-AWEZNQCLSA-N 0 0 475.606 4.612 20 0 JJADRN C[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(N(C)C)cn1 ZINC001460678817 1067698660 /nfs/dbraw/zinc/69/86/60/1067698660.db2.gz VSEHXZLBXPWZCA-HXOBKFHXSA-N 0 0 451.954 4.967 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)COC)CCS1 ZINC001546117810 1067698710 /nfs/dbraw/zinc/69/87/10/1067698710.db2.gz PSXRHKMOUTVLAH-HXUWFJFHSA-N 0 0 460.644 4.575 20 0 JJADRN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC001460681770 1067699586 /nfs/dbraw/zinc/69/95/86/1067699586.db2.gz LPABLBVQLFOIKR-FQEVSTJZSA-N 0 0 455.580 4.664 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1cccc(Cl)c1 ZINC001460680707 1067699651 /nfs/dbraw/zinc/69/96/51/1067699651.db2.gz KHYJWQSYXDJVKI-OAHLLOKOSA-N 0 0 450.103 4.716 20 0 JJADRN CN(C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460683493 1067700663 /nfs/dbraw/zinc/70/06/63/1067700663.db2.gz NTTKRXGVVRFPMT-QSEAXJEQSA-N 0 0 450.579 4.740 20 0 JJADRN CN(C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460683495 1067700672 /nfs/dbraw/zinc/70/06/72/1067700672.db2.gz NTTKRXGVVRFPMT-VMODYCNZSA-N 0 0 450.579 4.740 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)c1 ZINC001460684216 1067701032 /nfs/dbraw/zinc/70/10/32/1067701032.db2.gz YUILTILVMOZPSH-KRWDZBQOSA-N 0 0 451.951 4.572 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N(C)C2CCC(F)(F)CC2)C1 ZINC001460685525 1067701565 /nfs/dbraw/zinc/70/15/65/1067701565.db2.gz CHXSQHVUKQXKTH-HNNXBMFYSA-N 0 0 457.359 4.646 20 0 JJADRN O=C(NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001460688410 1067702100 /nfs/dbraw/zinc/70/21/00/1067702100.db2.gz JUYBATLKUHUFHD-TZIWHRDSSA-N 0 0 454.920 4.988 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CCS1 ZINC001546118162 1067702520 /nfs/dbraw/zinc/70/25/20/1067702520.db2.gz YSQJZZITZRSZNP-OFNKIYASSA-N 0 0 462.635 4.679 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3scnc3C)[C@H]2c2ccccc2OC)cc1 ZINC001460691117 1067702960 /nfs/dbraw/zinc/70/29/60/1067702960.db2.gz OOXTTYRRHKKAGT-SIKLNZKXSA-N 0 0 451.548 4.592 20 0 JJADRN O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC001460692579 1067702977 /nfs/dbraw/zinc/70/29/77/1067702977.db2.gz OYYKLNJKKBTSEC-NRFANRHFSA-N 0 0 454.920 4.988 20 0 JJADRN COC(=O)c1ccc2[nH]c(CN[C@H]3c4ccccc4N(C(=O)OC(C)(C)C)C3(C)C)nc2c1 ZINC001460695098 1067703249 /nfs/dbraw/zinc/70/32/49/1067703249.db2.gz MEGTYPBASJOSMQ-NRFANRHFSA-N 0 0 450.539 4.714 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)ccc1C ZINC001460693663 1067703313 /nfs/dbraw/zinc/70/33/13/1067703313.db2.gz TZJHXWPYMSRXAA-HNNXBMFYSA-N 0 0 458.502 4.607 20 0 JJADRN O=C(N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1cnn(CCC(F)(F)F)c1 ZINC001460694710 1067703361 /nfs/dbraw/zinc/70/33/61/1067703361.db2.gz UOOCGDXLPYTJDG-MRXNPFEDSA-N 0 0 455.278 4.887 20 0 JJADRN OC[C@@H](NCc1cccc(Br)c1OC(F)F)c1ccc(Br)cc1 ZINC001460700206 1067704109 /nfs/dbraw/zinc/70/41/09/1067704109.db2.gz BCYJYSAZXIMDRS-CQSZACIVSA-N 0 0 451.105 4.636 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC001460699740 1067704391 /nfs/dbraw/zinc/70/43/91/1067704391.db2.gz WUIFWHQQKHWKRF-QHCPKHFHSA-N 0 0 452.576 4.513 20 0 JJADRN COc1cc(-c2noc(CNC(C)(C)c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC001460700390 1067704436 /nfs/dbraw/zinc/70/44/36/1067704436.db2.gz PNEIQZOKAPEZLU-UHFFFAOYSA-N 0 0 451.445 4.806 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1c1ccccc1 ZINC001460702174 1067704738 /nfs/dbraw/zinc/70/47/38/1067704738.db2.gz IYRAEGFWSNBULA-QZTJIDSGSA-N 0 0 458.345 4.516 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2cccnc2C(F)(F)F)cc1 ZINC001460702127 1067704935 /nfs/dbraw/zinc/70/49/35/1067704935.db2.gz AJYWRABKHBPUGH-LJQANCHMSA-N 0 0 451.489 4.903 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Sc3cc(Cl)ccc3Cl)CC2)s1 ZINC001460705873 1067705221 /nfs/dbraw/zinc/70/52/21/1067705221.db2.gz VWHIGCFYROUZGR-LBPRGKRZSA-N 0 0 459.420 4.671 20 0 JJADRN CON1CCC(N(C)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1 ZINC001460708331 1067705908 /nfs/dbraw/zinc/70/59/08/1067705908.db2.gz XBHVYEJQTSKHIU-UHFFFAOYSA-N 0 0 451.398 4.546 20 0 JJADRN CC(C)(CNC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1)C1=CCCC1 ZINC001460710880 1067706228 /nfs/dbraw/zinc/70/62/28/1067706228.db2.gz WREZSXOCQDTZSG-UHFFFAOYSA-N 0 0 453.030 4.924 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 ZINC001460710660 1067706290 /nfs/dbraw/zinc/70/62/90/1067706290.db2.gz AFZSYINERXJXMA-AFMDSPMNSA-N 0 0 458.558 4.636 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2cc(F)c(F)cc2I)cc1 ZINC001460712428 1067706881 /nfs/dbraw/zinc/70/68/81/1067706881.db2.gz HJNGOEDBKTXSQI-LBPRGKRZSA-N 0 0 459.274 4.577 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713948 1067707349 /nfs/dbraw/zinc/70/73/49/1067707349.db2.gz UZOLQTBIRXDMIG-KRWDZBQOSA-N 0 0 452.580 4.538 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CCN(C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715692 1067707586 /nfs/dbraw/zinc/70/75/86/1067707586.db2.gz IKHFOWLGZJETQP-LLVKDONJSA-N 0 0 451.459 4.897 20 0 JJADRN COC(=O)CC[C@@H]1CCCN(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 ZINC001460716406 1067707781 /nfs/dbraw/zinc/70/77/81/1067707781.db2.gz GXRDYWRDXAARSB-ZDUSSCGKSA-N 0 0 456.395 4.721 20 0 JJADRN CN(CC(=O)N1CCOC(C)(C)C1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460716408 1067708310 /nfs/dbraw/zinc/70/83/10/1067708310.db2.gz FSHYRGJUNBTJDQ-UHFFFAOYSA-N 0 0 455.357 4.994 20 0 JJADRN Cc1ccc(S(=O)(=O)C2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC001460719183 1067708877 /nfs/dbraw/zinc/70/88/77/1067708877.db2.gz BMGXOORIAAOLIX-HNNXBMFYSA-N 0 0 455.407 4.567 20 0 JJADRN Cc1ccc(S(=O)(=O)C2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC001460719191 1067709068 /nfs/dbraw/zinc/70/90/68/1067709068.db2.gz BMGXOORIAAOLIX-OAHLLOKOSA-N 0 0 455.407 4.567 20 0 JJADRN CCOC(=O)c1ccc2c(c1)nc(CN1CCN([C@H](CC)c3ccc(F)cc3)CC1)n2CC ZINC001460731429 1067711753 /nfs/dbraw/zinc/71/17/53/1067711753.db2.gz NVOSPPCQTASDNA-HSZRJFAPSA-N 0 0 452.574 4.641 20 0 JJADRN COCc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1F ZINC001460735438 1067712246 /nfs/dbraw/zinc/71/22/46/1067712246.db2.gz FHBGQSITJWAZGZ-UHFFFAOYSA-N 0 0 452.711 4.885 20 0 JJADRN COc1nccc2c(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)cccc21 ZINC001460740777 1067712976 /nfs/dbraw/zinc/71/29/76/1067712976.db2.gz ZCMVENGOTUHUSF-UHFFFAOYSA-N 0 0 459.325 4.689 20 0 JJADRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740201 1067713073 /nfs/dbraw/zinc/71/30/73/1067713073.db2.gz YYDRJVGYAOLNJH-IERDGZPVSA-N 0 0 453.539 4.620 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)nn1[C@H](C)C1CC1 ZINC001460743836 1067713704 /nfs/dbraw/zinc/71/37/04/1067713704.db2.gz DVGCLROURPDTLQ-FRGLQRNOSA-N 0 0 470.589 4.825 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(F)(F)c2ccccc2F)CC[C@H]1c1ccc(F)cc1 ZINC001460744056 1067713741 /nfs/dbraw/zinc/71/37/41/1067713741.db2.gz FTIOVDPCRRTHBH-FXAWDEMLSA-N 0 0 466.475 4.966 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460744145 1067714047 /nfs/dbraw/zinc/71/40/47/1067714047.db2.gz HHLCUWSPNSTMEQ-XZOQPEGZSA-N 0 0 464.541 4.534 20 0 JJADRN COc1ccc2nc(CN3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)[nH]c2n1 ZINC001460750786 1067715682 /nfs/dbraw/zinc/71/56/82/1067715682.db2.gz VASYKSNRVXQPKO-PXNSSMCTSA-N 0 0 457.619 4.652 20 0 JJADRN Clc1ccc(-n2cc(CN[C@H]3CCOc4ccc(Br)cc43)nn2)cc1Cl ZINC001460751599 1067716191 /nfs/dbraw/zinc/71/61/91/1067716191.db2.gz SSNLPHUBXOWRBN-KRWDZBQOSA-N 0 0 454.155 4.950 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NCc1cc(Br)ccc1OC(F)F ZINC001460753373 1067716649 /nfs/dbraw/zinc/71/66/49/1067716649.db2.gz AYFMESRSRKKZPT-INIZCTEOSA-N 0 0 454.267 4.671 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460758082 1067717657 /nfs/dbraw/zinc/71/76/57/1067717657.db2.gz HBWGKLCMEFYLOS-DOTOQJQBSA-N 0 0 455.368 4.632 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460758095 1067717712 /nfs/dbraw/zinc/71/77/12/1067717712.db2.gz HBWGKLCMEFYLOS-NVXWUHKLSA-N 0 0 455.368 4.632 20 0 JJADRN CC(C)(C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC001460758529 1067718083 /nfs/dbraw/zinc/71/80/83/1067718083.db2.gz GMGSNSGDQSSFGS-OALUTQOASA-N 0 0 464.425 4.557 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)N3CCCc4ccc(C)c(Br)c43)CC2=O)c1 ZINC001460758473 1067718181 /nfs/dbraw/zinc/71/81/81/1067718181.db2.gz GPOXQKAPHLULEM-INIZCTEOSA-N 0 0 459.409 4.812 20 0 JJADRN Cc1cccc(CS(=O)(=O)CCC(=O)OCc2cc(Cl)c(C)cc2Br)c1 ZINC001460760237 1067718469 /nfs/dbraw/zinc/71/84/69/1067718469.db2.gz PIBJIUHEVURWCU-UHFFFAOYSA-N 0 0 459.789 4.768 20 0 JJADRN Cn1cc(CN(Cc2ncc(Br)cc2F)c2ccc(Br)cc2)cn1 ZINC001460762616 1067718851 /nfs/dbraw/zinc/71/88/51/1067718851.db2.gz YZGQGGBWFYPHEH-UHFFFAOYSA-N 0 0 454.141 4.686 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCCc2cc(Cl)cc(Br)c21 ZINC001460761367 1067718877 /nfs/dbraw/zinc/71/88/77/1067718877.db2.gz DVEJOQJGJBZBIY-CYBMUJFWSA-N 0 0 451.723 4.574 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)OCc3cc(Cl)c(C)cc3Br)CC2=O)cc1 ZINC001460762465 1067719013 /nfs/dbraw/zinc/71/90/13/1067719013.db2.gz UKJIEWQITRFJBU-CYBMUJFWSA-N 0 0 452.732 4.516 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460765227 1067719360 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CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)c(F)c2F)CCS1 ZINC001546119412 1067732482 /nfs/dbraw/zinc/73/24/82/1067732482.db2.gz BIQQNUXKDOPQSG-UHFFFAOYSA-N 0 0 492.615 4.912 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(OC)cc(OC)c2Cl)c1Cl ZINC001460841838 1067732794 /nfs/dbraw/zinc/73/27/94/1067732794.db2.gz OFJBPYHXVAHRCV-UHFFFAOYSA-N 0 0 452.743 4.710 20 0 JJADRN CCOc1ccc(CN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 ZINC001460845298 1067733412 /nfs/dbraw/zinc/73/34/12/1067733412.db2.gz TZFIRQAFYWJHBZ-UHFFFAOYSA-N 0 0 453.583 4.645 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CCS1 ZINC001546119486 1067733801 /nfs/dbraw/zinc/73/38/01/1067733801.db2.gz FBXDEAWBYUPPKD-WJOKGBTCSA-N 0 0 466.692 4.667 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2CCOc2cccc(C)c2)CCS1 ZINC001546119547 1067733870 /nfs/dbraw/zinc/73/38/70/1067733870.db2.gz HDZVUQVDGUPHTJ-UHFFFAOYSA-N 0 0 451.640 4.763 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2Cc1nc2cc(Br)ccc2o1 ZINC001460847416 1067734245 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COc1ccccc1Oc1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nc1 ZINC001460869859 1067738718 /nfs/dbraw/zinc/73/87/18/1067738718.db2.gz XJOJXQJXOVMEBV-PZJWPPBQSA-N 0 0 471.479 4.643 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N1CCCc2c(Br)c(F)cc(F)c21 ZINC001460869837 1067739110 /nfs/dbraw/zinc/73/91/10/1067739110.db2.gz ZDRNNJRJXMYPOF-UHFFFAOYSA-N 0 0 459.237 4.757 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@H]2CCCCO2)CCS1 ZINC001546119765 1067739693 /nfs/dbraw/zinc/73/96/93/1067739693.db2.gz PDEXJNRWRXHAKI-OAQYLSRUSA-N 0 0 460.692 4.601 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC001460874400 1067739908 /nfs/dbraw/zinc/73/99/08/1067739908.db2.gz XHWOUOAUHABYLE-UHFFFAOYSA-N 0 0 455.318 4.791 20 0 JJADRN CCC1(CC)CN(c2nnc(CCCc3ccccc3)n2Cc2cnn(C)c2C)CCS1 ZINC001546119780 1067740429 /nfs/dbraw/zinc/74/04/29/1067740429.db2.gz PRJNOPATYKPIHM-UHFFFAOYSA-N 0 0 452.672 4.656 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCc2cc(Br)c(F)cc2C1 ZINC001460879291 1067740760 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FMGNGBLRCZVXHQ-YADHBBJMSA-N 0 0 456.876 4.660 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001460919681 1067748094 /nfs/dbraw/zinc/74/80/94/1067748094.db2.gz FMGNGBLRCZVXHQ-FCHUYYIVSA-N 0 0 456.876 4.660 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(Cc4ccc(C(F)(F)F)cc4)s3)cn2)n1 ZINC001460921228 1067748394 /nfs/dbraw/zinc/74/83/94/1067748394.db2.gz LJWNOWHOWHFJBZ-UHFFFAOYSA-N 0 0 458.469 4.598 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001460921777 1067748446 /nfs/dbraw/zinc/74/84/46/1067748446.db2.gz UJMTURCLRNEDLO-DEOSSOPVSA-N 0 0 454.998 4.997 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)C[C@H]1c1ccccc1 ZINC001460921576 1067748497 /nfs/dbraw/zinc/74/84/97/1067748497.db2.gz ZTMJVVQRNDEWCT-GFUZLMBGSA-N 0 0 462.496 4.556 20 0 JJADRN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)cc1S(C)(=O)=O ZINC001460922551 1067748806 /nfs/dbraw/zinc/74/88/06/1067748806.db2.gz CMVIYRNCZORKSK-UHFFFAOYSA-N 0 0 450.491 4.705 20 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CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979836 1067756130 /nfs/dbraw/zinc/75/61/30/1067756130.db2.gz VDSZDGAMLXFQPK-IAGOWNOFSA-N 0 0 454.636 4.997 20 0 JJADRN COC(=O)[C@H](N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C)c1c(F)cccc1Cl ZINC001460984673 1067757315 /nfs/dbraw/zinc/75/73/15/1067757315.db2.gz ZJYXNFOBPYZLOG-JGNHQEBTSA-N 0 0 454.970 4.707 20 0 JJADRN COC(=O)[C@H](N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)c1c(F)cccc1Cl ZINC001460984674 1067757333 /nfs/dbraw/zinc/75/73/33/1067757333.db2.gz ZJYXNFOBPYZLOG-XEKGUZQTSA-N 0 0 454.970 4.707 20 0 JJADRN O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460985711 1067757609 /nfs/dbraw/zinc/75/76/09/1067757609.db2.gz DJGOVDQHVAYCDU-GOSISDBHSA-N 0 0 458.308 4.581 20 0 JJADRN CN(C)c1cc(C(=O)Nc2nn(CC(F)(F)F)cc2Br)cc(C(F)(F)F)c1 ZINC001460986260 1067757677 /nfs/dbraw/zinc/75/76/77/1067757677.db2.gz HQYPLWDKVQZMOX-UHFFFAOYSA-N 0 0 459.188 4.545 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988152 1067757984 /nfs/dbraw/zinc/75/79/84/1067757984.db2.gz USXZBJOKMBNUQI-VQTJNVASSA-N 0 0 457.659 4.853 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC001460990002 1067758329 /nfs/dbraw/zinc/75/83/29/1067758329.db2.gz YFVUGPICTMOUIK-HYBUGGRVSA-N 0 0 454.636 4.966 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001460994680 1067759311 /nfs/dbraw/zinc/75/93/11/1067759311.db2.gz ZWNQYLABXCABQG-LJQANCHMSA-N 0 0 453.446 4.619 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)C3CC(OC(C)(C)C)C3)C2)c2ccccc12 ZINC001460998297 1067760243 /nfs/dbraw/zinc/76/02/43/1067760243.db2.gz VFWAYPYHSXOEAT-HDYDNRTBSA-N 0 0 452.595 4.505 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCCC2)n1 ZINC001461000735 1067760506 /nfs/dbraw/zinc/76/05/06/1067760506.db2.gz PLFFUWQLTLXBEF-UHFFFAOYSA-N 0 0 459.955 4.820 20 0 JJADRN COC(=O)c1cc(NC(=O)c2csc(Cc3ccccc3F)n2)ccc1N1CCCCC1 ZINC001461006587 1067761290 /nfs/dbraw/zinc/76/12/90/1067761290.db2.gz ORDDBQOLLAGXIE-UHFFFAOYSA-N 0 0 453.539 4.902 20 0 JJADRN Brc1cccc(-c2nc(CNC[C@@H]3CN(Cc4ccccc4)CCO3)cs2)c1 ZINC001461010563 1067761925 /nfs/dbraw/zinc/76/19/25/1067761925.db2.gz YWICUHDAYJOEPL-OAQYLSRUSA-N 0 0 458.425 4.563 20 0 JJADRN CCOC(=O)c1nc2ccccn2c1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001461016772 1067762635 /nfs/dbraw/zinc/76/26/35/1067762635.db2.gz LYNIPSNDFMXTKJ-UHFFFAOYSA-N 0 0 459.380 4.922 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cc(C)cc(C)c2)CCS1 ZINC001546120855 1067762649 /nfs/dbraw/zinc/76/26/49/1067762649.db2.gz BPCSZTUMTOQCLE-UHFFFAOYSA-N 0 0 482.698 4.948 20 0 JJADRN Cn1ccnc1[C@H](NCc1cc(Cl)ccc1I)c1cccc(F)c1 ZINC001461020777 1067763335 /nfs/dbraw/zinc/76/33/35/1067763335.db2.gz AYKXGCHJPMJVNG-QGZVFWFLSA-N 0 0 455.702 4.696 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[C@@H]2CCCCO2)CCS1 ZINC001546120884 1067763409 /nfs/dbraw/zinc/76/34/09/1067763409.db2.gz 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COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)nc2C1 ZINC001461029088 1067765220 /nfs/dbraw/zinc/76/52/20/1067765220.db2.gz BOQLBIALXXVTJT-OAHLLOKOSA-N 0 0 456.951 4.906 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(C)c2)CCS1 ZINC001546120974 1067766372 /nfs/dbraw/zinc/76/63/72/1067766372.db2.gz GLLZGUNSQQXSNL-FPOVZHCZSA-N 0 0 462.635 4.610 20 0 JJADRN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001461037253 1067766930 /nfs/dbraw/zinc/76/69/30/1067766930.db2.gz BOOBQGAXCKNIGE-LJQANCHMSA-N 0 0 455.555 4.557 20 0 JJADRN Fc1cc(Br)c(I)cc1CN[C@H]1CCCc2occc21 ZINC001461037438 1067767270 /nfs/dbraw/zinc/76/72/70/1067767270.db2.gz SKNGHVFQTIXMDM-AWEZNQCLSA-N 0 0 450.089 4.953 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461041373 1067767908 /nfs/dbraw/zinc/76/79/08/1067767908.db2.gz OTVGEBRMJSDGDZ-HFZDXXHNSA-N 0 0 454.542 4.607 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001461041384 1067767965 /nfs/dbraw/zinc/76/79/65/1067767965.db2.gz OTVGEBRMJSDGDZ-LVXARBLLSA-N 0 0 454.542 4.607 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CCS1 ZINC001546121020 1067768670 /nfs/dbraw/zinc/76/86/70/1067768670.db2.gz HZAURBSAYCUVLT-UHFFFAOYSA-N 0 0 489.661 4.557 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001461044672 1067768897 /nfs/dbraw/zinc/76/88/97/1067768897.db2.gz YCNGUFBXBQLBCP-GOEBONIOSA-N 0 0 452.477 4.913 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]3C)cc2nc1CC ZINC001461045309 1067768953 /nfs/dbraw/zinc/76/89/53/1067768953.db2.gz ZZVODZQGZAJHCR-AOIWGVFYSA-N 0 0 454.615 4.766 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccsc2)CCS1 ZINC001546121075 1067768977 /nfs/dbraw/zinc/76/89/77/1067768977.db2.gz KDSGTWUECHVISG-UHFFFAOYSA-N 0 0 475.709 4.686 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]3C)cc2nc1CC ZINC001461045314 1067768983 /nfs/dbraw/zinc/76/89/83/1067768983.db2.gz ZZVODZQGZAJHCR-LNLFQRSKSA-N 0 0 454.615 4.766 20 0 JJADRN CCCc1cc(C(=O)N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)OC)C2)sc1C ZINC001461049614 1067769653 /nfs/dbraw/zinc/76/96/53/1067769653.db2.gz GUDKLSWDJZHOGX-ZWKOTPCHSA-N 0 0 450.398 4.800 20 0 JJADRN O=C(Oc1cccc(OCc2ccccc2)c1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001461051407 1067770089 /nfs/dbraw/zinc/77/00/89/1067770089.db2.gz RFPIUNDRTAVRJL-UHFFFAOYSA-N 0 0 450.292 4.828 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@H]1c1ccc(Br)cc1 ZINC001461050961 1067770096 /nfs/dbraw/zinc/77/00/96/1067770096.db2.gz KTOHNMFVJPTMBC-ZWKOTPCHSA-N 0 0 473.754 4.680 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccccc2OCc2ccncc2)c1C ZINC001461055980 1067771316 /nfs/dbraw/zinc/77/13/16/1067771316.db2.gz DRIJCDWHCBDJJO-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)NCCNC(=O)CCCc2ccccc2)c(C(C)(C)C)c1 ZINC001461056291 1067771356 /nfs/dbraw/zinc/77/13/56/1067771356.db2.gz HNYHHHQERLCGHM-UHFFFAOYSA-N 0 0 452.639 4.916 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)NCCNC(=O)CCCc1ccccc1 ZINC001461057578 1067771720 /nfs/dbraw/zinc/77/17/20/1067771720.db2.gz SHTYXCXFPIQUPO-UHFFFAOYSA-N 0 0 457.368 4.681 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Oc3cc([S@](C)=O)c(C)cc3OC)CC2(Cl)Cl)cc1 ZINC001461061644 1067772810 /nfs/dbraw/zinc/77/28/10/1067772810.db2.gz MPLKEHZABROBCI-OLILMLBXSA-N 0 0 457.375 4.561 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCCC2(C)C)CCS1 ZINC001546121198 1067772915 /nfs/dbraw/zinc/77/29/15/1067772915.db2.gz OJTHLCQYDYWOJO-SANMLTNESA-N 0 0 488.698 4.919 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001461061134 1067773115 /nfs/dbraw/zinc/77/31/15/1067773115.db2.gz VTAVFBKLSRMJQG-VGSWGCGISA-N 0 0 454.542 4.969 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)CCS1 ZINC001546121273 1067775023 /nfs/dbraw/zinc/77/50/23/1067775023.db2.gz RHDMFGTTYIMSCP-KDURUIRLSA-N 0 0 495.734 4.833 20 0 JJADRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNc1ccc(N2CCCS2(=O)=O)cc1 ZINC001461075642 1067776783 /nfs/dbraw/zinc/77/67/83/1067776783.db2.gz OADSMWWFXMNSCQ-UHFFFAOYSA-N 0 0 459.015 4.860 20 0 JJADRN CCc1nc(C(=O)Nc2nccc(Br)c2C)nn1-c1c(Cl)cccc1Cl ZINC001461081583 1067777646 /nfs/dbraw/zinc/77/76/46/1067777646.db2.gz ISWSSALXBUPQRG-UHFFFAOYSA-N 0 0 455.143 4.855 20 0 JJADRN Cc1ccc(I)cc1C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001461082118 1067777976 /nfs/dbraw/zinc/77/79/76/1067777976.db2.gz BGHRXSIRDSVFQN-INIZCTEOSA-N 0 0 457.352 4.716 20 0 JJADRN CCC1(CC)CN(c2nnc(CSc3ccccc3OC)n2CC2([S@@](C)=O)CC2)CCS1 ZINC001546121473 1067778493 /nfs/dbraw/zinc/77/84/93/1067778493.db2.gz ZYVJWKSZAOOWTR-JGCGQSQUSA-N 0 0 494.752 4.602 20 0 JJADRN Cc1occ(C(F)(F)F)c1C(=O)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461086430 1067778776 /nfs/dbraw/zinc/77/87/76/1067778776.db2.gz ITKAEFLBNGVJMR-UHFFFAOYSA-N 0 0 457.250 4.698 20 0 JJADRN CC(C)(C)OCc1cc(COC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)no1 ZINC001461086888 1067779076 /nfs/dbraw/zinc/77/90/76/1067779076.db2.gz AVGLHCXNLVBCJB-UHFFFAOYSA-N 0 0 458.824 4.600 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)cc2)cc1 ZINC001461088689 1067779446 /nfs/dbraw/zinc/77/94/46/1067779446.db2.gz JMYJOQSWOBAYGX-XMMPIXPASA-N 0 0 455.620 4.602 20 0 JJADRN O=C(Cn1ccc2ccc(F)cc21)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461089839 1067779845 /nfs/dbraw/zinc/77/98/45/1067779845.db2.gz XNRRAWSLICVIBZ-UHFFFAOYSA-N 0 0 453.315 4.609 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)n2)cc1 ZINC001461091749 1067780283 /nfs/dbraw/zinc/78/02/83/1067780283.db2.gz AWUVGEHPPFZZNE-LJQANCHMSA-N 0 0 456.589 4.889 20 0 JJADRN O=C1C[C@@H](NCc2c(F)cncc2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461092936 1067780586 /nfs/dbraw/zinc/78/05/86/1067780586.db2.gz BCZUYGWJWOOFIZ-OAHLLOKOSA-N 0 0 456.315 4.671 20 0 JJADRN C[C@H](c1ccccc1)n1cc(NC(=O)c2cnn(Cc3ccccc3)c2Br)cn1 ZINC001461093739 1067780633 /nfs/dbraw/zinc/78/06/33/1067780633.db2.gz QVVXJDIFIVXWLB-MRXNPFEDSA-N 0 0 450.340 4.752 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC001461100779 1067782055 /nfs/dbraw/zinc/78/20/55/1067782055.db2.gz PIIHVGFVNSLJKY-UHFFFAOYSA-N 0 0 458.465 4.629 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1C ZINC001461102146 1067782319 /nfs/dbraw/zinc/78/23/19/1067782319.db2.gz YRTCCWMESVBXLN-JOCHJYFZSA-N 0 0 450.539 4.702 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2cnnn2-c2ccccc2)cc1Br ZINC001461102761 1067782352 /nfs/dbraw/zinc/78/23/52/1067782352.db2.gz DLOUYLXHIFFGCF-UHFFFAOYSA-N 0 0 450.134 4.607 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1cnn(C(C)C)c1I ZINC001461105398 1067782700 /nfs/dbraw/zinc/78/27/00/1067782700.db2.gz DQJXCCVSHXSBTO-UHFFFAOYSA-N 0 0 453.368 4.984 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC001461107297 1067783150 /nfs/dbraw/zinc/78/31/50/1067783150.db2.gz JGDGCYRIFJDWLY-UHFFFAOYSA-N 0 0 454.368 4.988 20 0 JJADRN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc(Cl)c(I)c1 ZINC001461113684 1067784034 /nfs/dbraw/zinc/78/40/34/1067784034.db2.gz LFPRGHJRAPKGIO-IAQYHMDHSA-N 0 0 463.743 4.670 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c2c1CCC2 ZINC001461113974 1067784153 /nfs/dbraw/zinc/78/41/53/1067784153.db2.gz AXLCKDGAQRXEOM-GUDVDZBRSA-N 0 0 452.599 4.528 20 0 JJADRN FC(F)(F)c1nc(CNC2(c3cccc(Br)c3)CCOCC2)c2n1CCCC2 ZINC001461120479 1067785353 /nfs/dbraw/zinc/78/53/53/1067785353.db2.gz QRSCSMWUCMJOFT-UHFFFAOYSA-N 0 0 458.322 4.796 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)nnc1-c1ccccc1 ZINC001461124423 1067786147 /nfs/dbraw/zinc/78/61/47/1067786147.db2.gz OVLMIVAKNDRBFZ-JBACZVJFSA-N 0 0 456.656 4.919 20 0 JJADRN Cc1c(C(=O)NCC[C@@H]2CSc3ccccc3O2)cnn1-c1ccc(Br)cc1 ZINC001461126168 1067786458 /nfs/dbraw/zinc/78/64/58/1067786458.db2.gz LEUYDXWKINSDKZ-QGZVFWFLSA-N 0 0 458.381 4.616 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001461133723 1067787337 /nfs/dbraw/zinc/78/73/37/1067787337.db2.gz LUJGFWJETHKBLQ-VWLOTQADSA-N 0 0 458.599 4.546 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccc(Br)cn2)[C@@H]1SC ZINC001461134436 1067787379 /nfs/dbraw/zinc/78/73/79/1067787379.db2.gz DMUSHZSZKKZEFL-RKVPGOIHSA-N 0 0 453.427 4.634 20 0 JJADRN Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)c(C(N)=O)c1 ZINC001461135929 1067787386 /nfs/dbraw/zinc/78/73/86/1067787386.db2.gz ZUBVEJRTPILZJM-UHFFFAOYSA-N 0 0 452.102 4.617 20 0 JJADRN CC[C@H](C)[C@H](NCc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148280 1067789601 /nfs/dbraw/zinc/78/96/01/1067789601.db2.gz IGYGCFDSEOQMCZ-LIRRHRJNSA-N 0 0 451.434 4.649 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2(c3ccccc3F)CCC2)c1 ZINC001461148908 1067789371 /nfs/dbraw/zinc/78/93/71/1067789371.db2.gz LZHFOIAFBPFFBX-UHFFFAOYSA-N 0 0 452.551 4.850 20 0 JJADRN O=C(NCc1cc(Cl)ccc1Br)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001461149283 1067789478 /nfs/dbraw/zinc/78/94/78/1067789478.db2.gz QIAZEOYJPCHLBJ-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CO1 ZINC001461154214 1067790361 /nfs/dbraw/zinc/79/03/61/1067790361.db2.gz AQEWJGMFFKCVKJ-REWPJTCUSA-N 0 0 457.542 4.548 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CC[C@H](Oc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461156992 1067790766 /nfs/dbraw/zinc/79/07/66/1067790766.db2.gz DBSDGXYSKAUQTI-SFYKDHMMSA-N 0 0 458.961 4.847 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCCC1 ZINC001461165636 1067791687 /nfs/dbraw/zinc/79/16/87/1067791687.db2.gz CQIBALJFVZTSQR-NRFANRHFSA-N 0 0 453.633 4.844 20 0 JJADRN C[C@@H](C(=O)N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(F)cc1F ZINC001461165937 1067791773 /nfs/dbraw/zinc/79/17/73/1067791773.db2.gz HURNHYRRNVZKGM-HOYKHHGWSA-N 0 0 453.485 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC001461169401 1067791990 /nfs/dbraw/zinc/79/19/90/1067791990.db2.gz GOOWFEAUMMOBQY-BKMJKUGQSA-N 0 0 453.558 4.695 20 0 JJADRN Cc1cc(C)c(CC(=O)N(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001461172813 1067792606 /nfs/dbraw/zinc/79/26/06/1067792606.db2.gz VYAZZVBKHWZNFJ-UHFFFAOYSA-N 0 0 451.611 4.978 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c(Cl)c1 ZINC001461175051 1067792984 /nfs/dbraw/zinc/79/29/84/1067792984.db2.gz RHSVYRLRHCUYLY-LBPRGKRZSA-N 0 0 454.379 4.959 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)C2 ZINC001461179884 1067793763 /nfs/dbraw/zinc/79/37/63/1067793763.db2.gz CCEVWIKKWBYBDZ-IBGZPJMESA-N 0 0 450.457 4.822 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001461182759 1067794355 /nfs/dbraw/zinc/79/43/55/1067794355.db2.gz BZUGHJCMMVADFX-FQEVSTJZSA-N 0 0 458.514 4.582 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1nc(F)ccc1Br ZINC001461186176 1067794893 /nfs/dbraw/zinc/79/48/93/1067794893.db2.gz PNYJUWOHAVBDCY-UHFFFAOYSA-N 0 0 459.271 4.601 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001461184807 1067794920 /nfs/dbraw/zinc/79/49/20/1067794920.db2.gz LCRDDVPARUDBLI-UHFFFAOYSA-N 0 0 450.516 4.715 20 0 JJADRN C[C@]1(C(=O)Nc2cccc(Br)c2I)CCc2ccccc21 ZINC001461186203 1067794981 /nfs/dbraw/zinc/79/49/81/1067794981.db2.gz PZTPUJJIBCOOCQ-KRWDZBQOSA-N 0 0 456.121 4.896 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC001461187772 1067795337 /nfs/dbraw/zinc/79/53/37/1067795337.db2.gz XFVLKQCXEUCJGU-UHFFFAOYSA-N 0 0 451.395 4.909 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)c(=O)oc2c1 ZINC001461188586 1067795741 /nfs/dbraw/zinc/79/57/41/1067795741.db2.gz BYTRTGKJYBJLSK-ORYQWCPZSA-N 0 0 470.610 4.762 20 0 JJADRN C[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461190711 1067796511 /nfs/dbraw/zinc/79/65/11/1067796511.db2.gz FAQIKACFHOTEMO-WQTXXOFMSA-N 0 0 476.573 4.610 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c(=O)[nH]1 ZINC001461194099 1067796711 /nfs/dbraw/zinc/79/67/11/1067796711.db2.gz RLSLDTZKKPOMPX-ZYSHUDEJSA-N 0 0 454.567 4.585 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2=O)cc1 ZINC001461194744 1067797078 /nfs/dbraw/zinc/79/70/78/1067797078.db2.gz SVYHWIRQEZVKRR-XODARUQUSA-N 0 0 456.627 4.501 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N[C@H](Cc3ccncc3)C(=O)OC(C)(C)C)oc21 ZINC001461199057 1067798318 /nfs/dbraw/zinc/79/83/18/1067798318.db2.gz YTRNESNUUYTISX-QGZVFWFLSA-N 0 0 459.340 4.582 20 0 JJADRN C[C@@H](Cc1ccccn1)NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001461204399 1067798962 /nfs/dbraw/zinc/79/89/62/1067798962.db2.gz NRTNNTAJCFNJOT-KRWDZBQOSA-N 0 0 450.995 4.973 20 0 JJADRN C[C@H](Cc1ccccn1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001461204454 1067799079 /nfs/dbraw/zinc/79/90/79/1067799079.db2.gz OBRYGHOFBJGVIX-GFCCVEGCSA-N 0 0 458.818 4.935 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001461206377 1067799334 /nfs/dbraw/zinc/79/93/34/1067799334.db2.gz QFFVEFYBJNOSPG-GFCCVEGCSA-N 0 0 456.823 4.536 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2OC)cc1 ZINC001461210384 1067800189 /nfs/dbraw/zinc/80/01/89/1067800189.db2.gz PLJZKADZDODKEQ-UHFFFAOYSA-N 0 0 454.910 4.935 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001461210112 1067800223 /nfs/dbraw/zinc/80/02/23/1067800223.db2.gz MQGZVKLEOJRYSA-LIRRHRJNSA-N 0 0 450.988 4.766 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)C[C@H]1c1ccccc1 ZINC001461217675 1067801771 /nfs/dbraw/zinc/80/17/71/1067801771.db2.gz NOSJJHFKIFJMJF-DLBZAZTESA-N 0 0 471.376 4.601 20 0 JJADRN O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001461219799 1067802045 /nfs/dbraw/zinc/80/20/45/1067802045.db2.gz LYARRMZVZKHBRF-HZMBPMFUSA-N 0 0 450.244 4.806 20 0 JJADRN Cc1ccc([C@@H](NCc2cncc(Br)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001461220005 1067802117 /nfs/dbraw/zinc/80/21/17/1067802117.db2.gz WSWVSUBQYKMNCW-QFIPXVFZSA-N 0 0 459.409 4.744 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)nnc1-c1ccccc1 ZINC001461221417 1067802636 /nfs/dbraw/zinc/80/26/36/1067802636.db2.gz OIQYHAYHZASDBL-BHYGNILZSA-N 0 0 456.534 4.624 20 0 JJADRN C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C(=O)OCc1ccccc1 ZINC001461221605 1067802666 /nfs/dbraw/zinc/80/26/66/1067802666.db2.gz KZAOCLRESRNZCS-SFHVURJKSA-N 0 0 450.560 4.571 20 0 JJADRN CC(C)OC(=O)C[C@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C(C)C ZINC001461222621 1067803145 /nfs/dbraw/zinc/80/31/45/1067803145.db2.gz RJQLDESSBSCIIX-INIZCTEOSA-N 0 0 452.311 4.883 20 0 JJADRN O=C(c1ccc(-n2cccn2)c(F)c1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001461224191 1067803578 /nfs/dbraw/zinc/80/35/78/1067803578.db2.gz KUSOWDFLHJYGRA-UHFFFAOYSA-N 0 0 453.732 4.934 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 ZINC001461226718 1067804325 /nfs/dbraw/zinc/80/43/25/1067804325.db2.gz ZTATUOGVDCITTC-AWEZNQCLSA-N 0 0 456.764 4.954 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C[C@H]1C1CC1 ZINC001461227538 1067804391 /nfs/dbraw/zinc/80/43/91/1067804391.db2.gz DXLUUFIEFZHMPZ-RBUKOAKNSA-N 0 0 478.372 4.852 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001461229666 1067804749 /nfs/dbraw/zinc/80/47/49/1067804749.db2.gz DWHSWKTXAATZSW-OGWOLHLISA-N 0 0 450.963 4.881 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC001461237090 1067806340 /nfs/dbraw/zinc/80/63/40/1067806340.db2.gz ACYNSMKFLPRXIU-MSOLQXFVSA-N 0 0 450.535 4.683 20 0 JJADRN CC(C)c1cc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)n(Cc2ccccc2)n1 ZINC001461237636 1067807108 /nfs/dbraw/zinc/80/71/08/1067807108.db2.gz GCOWXRVXSQFSRX-UHFFFAOYSA-N 0 0 450.930 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC001461241848 1067807981 /nfs/dbraw/zinc/80/79/81/1067807981.db2.gz MMWBODMYUHIXLK-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461242634 1067808036 /nfs/dbraw/zinc/80/80/36/1067808036.db2.gz IMQUAISTBKLCMH-UHFFFAOYSA-N 0 0 453.288 4.552 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001461242234 1067808070 /nfs/dbraw/zinc/80/80/70/1067808070.db2.gz ASKQCGQBEYIYRS-UHFFFAOYSA-N 0 0 457.531 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC001461249138 1067809344 /nfs/dbraw/zinc/80/93/44/1067809344.db2.gz UNKLPQMZGTVIJP-UHFFFAOYSA-N 0 0 459.812 4.798 20 0 JJADRN CC1(C)Cc2nc(NC(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)sc2C(=O)N1 ZINC001461247713 1067809403 /nfs/dbraw/zinc/80/94/03/1067809403.db2.gz NJBHVPSHXQNEOC-UHFFFAOYSA-N 0 0 451.426 4.619 20 0 JJADRN CC(C)(C)c1coc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)n1 ZINC001461248855 1067809496 /nfs/dbraw/zinc/80/94/96/1067809496.db2.gz DANDQKYKXFCOFN-UHFFFAOYSA-N 0 0 459.955 4.629 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC001461251413 1067809880 /nfs/dbraw/zinc/80/98/80/1067809880.db2.gz LVMQBMWVMYIXQC-UHFFFAOYSA-N 0 0 454.574 4.986 20 0 JJADRN COc1ccc([C@@H](NCc2cc(C)nc3c2CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461252301 1067810330 /nfs/dbraw/zinc/81/03/30/1067810330.db2.gz CDKZIMZAXQDSND-AREMUKBSSA-N 0 0 450.604 4.560 20 0 JJADRN CCc1ccc([C@@H](NCc2cn3cc(Cl)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251555 1067810369 /nfs/dbraw/zinc/81/03/69/1067810369.db2.gz GUVUVIZYQIHCNQ-XMMPIXPASA-N 0 0 453.995 4.833 20 0 JJADRN CCc1nc(C(=O)OCc2ccccc2NC(=O)C2CC2)nn1-c1c(Cl)cccc1Cl ZINC001461255147 1067810813 /nfs/dbraw/zinc/81/08/13/1067810813.db2.gz SKTRSSHFAGCTSJ-UHFFFAOYSA-N 0 0 459.333 4.842 20 0 JJADRN CC(C)CN(C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc(F)cn1 ZINC001461254289 1067810857 /nfs/dbraw/zinc/81/08/57/1067810857.db2.gz MIHDHSKOFCBWNM-SFHVURJKSA-N 0 0 455.452 4.847 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)Nc3ncc4[nH]ccc4c3Br)cs2)cc1 ZINC001461254475 1067810898 /nfs/dbraw/zinc/81/08/98/1067810898.db2.gz NFMFCGDXDIGQHW-UHFFFAOYSA-N 0 0 457.353 4.851 20 0 JJADRN COc1ccc([C@H](NCc2cccc3c2OC(C)(C)C3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461254198 1067811011 /nfs/dbraw/zinc/81/10/11/1067811011.db2.gz HKPLTIBDGSCFBY-DEOSSOPVSA-N 0 0 451.588 4.691 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NCc2cc3ccc(F)cc3[nH]c2=O)c2ccc(F)cc2)c1 ZINC001461254516 1067811061 /nfs/dbraw/zinc/81/10/61/1067811061.db2.gz HIGOYHSQHBFHDP-QHCPKHFHSA-N 0 0 454.498 4.501 20 0 JJADRN COC(OC)[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccccc1 ZINC001461256682 1067811530 /nfs/dbraw/zinc/81/15/30/1067811530.db2.gz SDUZFPKTOFPVQD-HXUWFJFHSA-N 0 0 457.324 4.726 20 0 JJADRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)OCc1ncc(Br)cc1Cl ZINC001461257155 1067812040 /nfs/dbraw/zinc/81/20/40/1067812040.db2.gz VMUQCVFTHLVUBU-UHFFFAOYSA-N 0 0 457.111 4.877 20 0 JJADRN COc1ccc([C@@H](NCc2cccc(OC3CC3)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461259247 1067812495 /nfs/dbraw/zinc/81/24/95/1067812495.db2.gz ZRVOFEOWDBMIQQ-RUZDIDTESA-N 0 0 455.551 4.658 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC001461267271 1067814413 /nfs/dbraw/zinc/81/44/13/1067814413.db2.gz XGDLPUJYZYWGAB-QGZVFWFLSA-N 0 0 455.407 4.524 20 0 JJADRN O=C(/C=C\Sc1cc(F)ccc1F)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461267063 1067814474 /nfs/dbraw/zinc/81/44/74/1067814474.db2.gz QHBCUUNPTZYUIE-UTCJRWHESA-N 0 0 451.296 4.685 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)NCCC[C@@H]1CC1(Cl)Cl ZINC001461267275 1067814589 /nfs/dbraw/zinc/81/45/89/1067814589.db2.gz XGUKVVICZAEDHO-CABCVRRESA-N 0 0 455.304 4.714 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)C1CCC(F)(F)CC1 ZINC001461272033 1067815688 /nfs/dbraw/zinc/81/56/88/1067815688.db2.gz BCABDXVHPFQVIL-SJORKVTESA-N 0 0 450.551 4.670 20 0 JJADRN COCc1ccnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1 ZINC001461273789 1067815969 /nfs/dbraw/zinc/81/59/69/1067815969.db2.gz OOQZPVCNHUYICX-UHFFFAOYSA-N 0 0 456.285 4.588 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461273704 1067816391 /nfs/dbraw/zinc/81/63/91/1067816391.db2.gz NFPNHEGKDWALFQ-ZHHKINOHSA-N 0 0 473.660 4.872 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)c2ccccc21 ZINC001461280016 1067816785 /nfs/dbraw/zinc/81/67/85/1067816785.db2.gz BMRVOIPTNJCINU-VQTJNVASSA-N 0 0 455.576 4.627 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)nc1 ZINC001461281418 1067817034 /nfs/dbraw/zinc/81/70/34/1067817034.db2.gz FTCUHIKUZHGOHR-UYAOXDASSA-N 0 0 453.539 4.729 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)c2ccccc21 ZINC001461281784 1067817236 /nfs/dbraw/zinc/81/72/36/1067817236.db2.gz GUOYXKPCNRBBMS-DQEYMECFSA-N 0 0 458.558 4.890 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCOc3c(F)cc(F)cc32)C1 ZINC001461282073 1067817247 /nfs/dbraw/zinc/81/72/47/1067817247.db2.gz JPFKECXTMPTNTC-CYBMUJFWSA-N 0 0 455.288 4.549 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001461286297 1067817935 /nfs/dbraw/zinc/81/79/35/1067817935.db2.gz FPZAZEPYJYJSKB-QZTJIDSGSA-N 0 0 450.539 4.650 20 0 JJADRN C[C@@H]1CN(c2cc(F)cc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)c2)C[C@H](C)O1 ZINC001461285507 1067818144 /nfs/dbraw/zinc/81/81/44/1067818144.db2.gz LOYNUBSATAGBTK-BETUJISGSA-N 0 0 451.329 4.575 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001461290426 1067819913 /nfs/dbraw/zinc/81/99/13/1067819913.db2.gz QKAZYXPGGIFFOO-LJQANCHMSA-N 0 0 450.913 4.613 20 0 JJADRN Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C(C)C)cc1Br ZINC001461292961 1067820319 /nfs/dbraw/zinc/82/03/19/1067820319.db2.gz LZCAGOQISOJFCR-CQSZACIVSA-N 0 0 451.311 4.830 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)c1cnn(-c2cccc(Br)c2)c1 ZINC001461293343 1067820348 /nfs/dbraw/zinc/82/03/48/1067820348.db2.gz JBXSHMUKMXDNHS-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CCOc1cc(CNc2cccc(N3CCC(C(N)=O)CC3)c2)ccc1OCc1ccccc1 ZINC001461294716 1067820616 /nfs/dbraw/zinc/82/06/16/1067820616.db2.gz UZQDJCAUMXFZLV-UHFFFAOYSA-N 0 0 459.590 4.978 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N(c2ccc(C)c(Br)c2)C(C)C)no1 ZINC001461295178 1067820689 /nfs/dbraw/zinc/82/06/89/1067820689.db2.gz ILLHXWPSLDAFKX-AWEZNQCLSA-N 0 0 454.390 4.556 20 0 JJADRN CCOc1cc(CNc2ccc(OCC(F)(F)F)c(C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461297093 1067820986 /nfs/dbraw/zinc/82/09/86/1067820986.db2.gz MUGWAWHUOGESBI-MRXNPFEDSA-N 0 0 454.489 4.802 20 0 JJADRN CN(C(=O)c1ccc(-c2ccccn2)nc1)c1nccc(-c2sccc2Br)n1 ZINC001461296326 1067821075 /nfs/dbraw/zinc/82/10/75/1067821075.db2.gz HNGCCOHTQUXNNR-UHFFFAOYSA-N 0 0 452.337 4.701 20 0 JJADRN CCCOc1c(Br)cc(CNc2ccccc2CS(C)(=O)=O)cc1OCC ZINC001461297837 1067821228 /nfs/dbraw/zinc/82/12/28/1067821228.db2.gz BWNTZRWDJJKOQP-UHFFFAOYSA-N 0 0 456.402 4.793 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CCCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC001461297844 1067821567 /nfs/dbraw/zinc/82/15/67/1067821567.db2.gz YSQDVRNLNSDGRX-VXKWHMMOSA-N 0 0 451.563 4.857 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N(C)c2nccc(-c3sccc3Br)n2)cn1 ZINC001461298819 1067822296 /nfs/dbraw/zinc/82/22/96/1067822296.db2.gz ROAQKFZAHUJSQR-UHFFFAOYSA-N 0 0 454.353 4.738 20 0 JJADRN CN(C(=O)c1ccc(-n2cccn2)c(F)c1)c1nccc(-c2sccc2Br)n1 ZINC001461300077 1067822581 /nfs/dbraw/zinc/82/25/81/1067822581.db2.gz XVJAOOACNBNRAV-UHFFFAOYSA-N 0 0 458.316 4.569 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461301863 1067822718 /nfs/dbraw/zinc/82/27/18/1067822718.db2.gz AKLFPPQMSAKAQQ-UHFFFAOYSA-N 0 0 452.267 4.563 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461303829 1067823252 /nfs/dbraw/zinc/82/32/52/1067823252.db2.gz JCWHDLKFJPPCFH-NWDGAFQWSA-N 0 0 464.278 4.561 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC(C)(C)c4ccc(F)cc43)n2)cc(Cl)c1OC ZINC001461303795 1067823263 /nfs/dbraw/zinc/82/32/63/1067823263.db2.gz HJQOZTPVBVSIBG-UHFFFAOYSA-N 0 0 459.905 4.803 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)c3ccsc3)[C@@H]2c2ccccc2OC)cc1 ZINC001461302611 1067823295 /nfs/dbraw/zinc/82/32/95/1067823295.db2.gz XIBNVRJOAIWBDT-QPPBQGQZSA-N 0 0 450.560 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3cc(Br)cs3)nc2)CC1 ZINC001461307614 1067824686 /nfs/dbraw/zinc/82/46/86/1067824686.db2.gz LBUSLVDJFOQDMU-UHFFFAOYSA-N 0 0 453.406 4.575 20 0 JJADRN COc1ccc(Br)cc1CNc1cccc(OCCNC(=O)OC(C)(C)C)c1 ZINC001461313190 1067825890 /nfs/dbraw/zinc/82/58/90/1067825890.db2.gz FLZNQCATXRQXCQ-UHFFFAOYSA-N 0 0 451.361 4.973 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 ZINC001461317432 1067826762 /nfs/dbraw/zinc/82/67/62/1067826762.db2.gz GOJJXBMXFKJKKM-NRFANRHFSA-N 0 0 452.986 4.823 20 0 JJADRN Cc1cc(C)cc(Oc2cccc(Cl)c2NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC001461316840 1067826777 /nfs/dbraw/zinc/82/67/77/1067826777.db2.gz KKGVDQWCXTWYHN-UHFFFAOYSA-N 0 0 455.942 4.942 20 0 JJADRN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001461322168 1067827532 /nfs/dbraw/zinc/82/75/32/1067827532.db2.gz WBXKAGAJVYKVKP-QFQXNSOFSA-N 0 0 454.998 4.581 20 0 JJADRN COc1ccc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(OCc2cccnc2)c1 ZINC001461319893 1067827606 /nfs/dbraw/zinc/82/76/06/1067827606.db2.gz QGYPRMVPYKSJAS-UHFFFAOYSA-N 0 0 454.592 4.995 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001461321858 1067827649 /nfs/dbraw/zinc/82/76/49/1067827649.db2.gz SHNHZZIRBUOYMT-VWLOTQADSA-N 0 0 452.002 4.716 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1cc(Br)ncc1Cl)c1ccccc1 ZINC001461323911 1067828102 /nfs/dbraw/zinc/82/81/02/1067828102.db2.gz AQVDANXAEFOLGF-HXUWFJFHSA-N 0 0 453.764 4.527 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461323894 1067828163 /nfs/dbraw/zinc/82/81/63/1067828163.db2.gz AMLFRUCVVOPUSR-HHHXNRCGSA-N 0 0 453.579 4.600 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1 ZINC001461326024 1067829206 /nfs/dbraw/zinc/82/92/06/1067829206.db2.gz OQBDLJQHAHTFDO-UHFFFAOYSA-N 0 0 453.264 4.828 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@H](C)[C@H]3CCNC(=O)OC(C)(C)C)c12 ZINC001461327346 1067829402 /nfs/dbraw/zinc/82/94/02/1067829402.db2.gz FVFAIGXJKVNHHH-OXJNMPFZSA-N 0 0 458.603 4.893 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)c12 ZINC001461327345 1067829637 /nfs/dbraw/zinc/82/96/37/1067829637.db2.gz FVFAIGXJKVNHHH-JXFKEZNVSA-N 0 0 458.603 4.893 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)c2)cc1 ZINC001461327029 1067829682 /nfs/dbraw/zinc/82/96/82/1067829682.db2.gz YTESFHVTZFMBIF-NDEPHWFRSA-N 0 0 459.590 4.844 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(CNc2cccc(C[S@@](=O)C3CCOCC3)c2)c1 ZINC001461327366 1067829706 /nfs/dbraw/zinc/82/97/06/1067829706.db2.gz AULBWRQMQKNKRB-JGCGQSQUSA-N 0 0 458.624 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(CNc3ccc(N4CCSCC4)cc3)o2)CC1 ZINC001461327398 1067830001 /nfs/dbraw/zinc/83/00/01/1067830001.db2.gz CTBJIEPBSACSLD-UHFFFAOYSA-N 0 0 458.628 4.502 20 0 JJADRN CC(=O)N(c1nc(CNCCOc2ncc(Cl)cc2Cl)cs1)c1ccc(F)cc1 ZINC001461329940 1067830489 /nfs/dbraw/zinc/83/04/89/1067830489.db2.gz CBCJBNOWNMYYOF-UHFFFAOYSA-N 0 0 455.342 4.837 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccnc2SC(F)(F)F)c(F)c1 ZINC001461331580 1067831012 /nfs/dbraw/zinc/83/10/12/1067831012.db2.gz IWWIEPGHJQSVTO-UHFFFAOYSA-N 0 0 459.465 4.787 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCc2ccc(OC(F)F)cc2)c(F)c1 ZINC001461335394 1067831328 /nfs/dbraw/zinc/83/13/28/1067831328.db2.gz PLABRVFHKQABIR-UHFFFAOYSA-N 0 0 452.473 4.701 20 0 JJADRN CC1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c2cc(F)ccc2O1 ZINC001461334901 1067831381 /nfs/dbraw/zinc/83/13/81/1067831381.db2.gz FSZBWLMVMKIPME-JOCHJYFZSA-N 0 0 453.535 4.832 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccc(N4CCOCC4)c(C)c3)c2)n1 ZINC001546123486 1067831472 /nfs/dbraw/zinc/83/14/72/1067831472.db2.gz SDFOFYCCPCHJNL-UHFFFAOYSA-N 0 0 451.958 4.888 20 0 JJADRN CS(=O)(=O)C1CCC(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)CC1 ZINC001461335531 1067831494 /nfs/dbraw/zinc/83/14/94/1067831494.db2.gz QAHFBYJNVCJBMT-UHFFFAOYSA-N 0 0 452.370 4.783 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)c1C ZINC001461336828 1067831662 /nfs/dbraw/zinc/83/16/62/1067831662.db2.gz ILNXDOAQMIODHM-OAQYLSRUSA-N 0 0 451.498 4.529 20 0 JJADRN Cc1c(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC001461336799 1067831701 /nfs/dbraw/zinc/83/17/01/1067831701.db2.gz NDVFXNHHESPHTA-ZDUSSCGKSA-N 0 0 459.775 4.794 20 0 JJADRN Cc1c(CN(C)C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)oc2c1cccc2C ZINC001461336223 1067831812 /nfs/dbraw/zinc/83/18/12/1067831812.db2.gz APRDYHAEKGYCNG-SFHVURJKSA-N 0 0 451.592 4.820 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3csc(-c4ccccc4)n3)cc2)C1 ZINC001461340292 1067833231 /nfs/dbraw/zinc/83/32/31/1067833231.db2.gz DGPMXOWQBXUOHE-IAGOWNOFSA-N 0 0 455.605 4.729 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001461340585 1067833946 /nfs/dbraw/zinc/83/39/46/1067833946.db2.gz HFBQZQSSAMHYFX-OAHLLOKOSA-N 0 0 455.452 4.757 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3CCCc4nc(Br)ccc43)cc2)c1 ZINC001461343368 1067834206 /nfs/dbraw/zinc/83/42/06/1067834206.db2.gz FLCRTBJZJSZHRJ-UHFFFAOYSA-N 0 0 451.320 4.677 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)c2cnccc21 ZINC001461343646 1067834770 /nfs/dbraw/zinc/83/47/70/1067834770.db2.gz ZAZWAPITKAPJQD-UHFFFAOYSA-N 0 0 455.333 4.806 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3csc(-c4ccccc4)n3)c2)C1 ZINC001461345769 1067834906 /nfs/dbraw/zinc/83/49/06/1067834906.db2.gz UHRNCXGWWYQJIT-IRXDYDNUSA-N 0 0 455.605 4.729 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2CC(=O)OC(C)(C)C)cc1OC ZINC001461347860 1067835370 /nfs/dbraw/zinc/83/53/70/1067835370.db2.gz ZUBKMXUGTLBQMN-OAHLLOKOSA-N 0 0 456.377 4.583 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)nc1 ZINC001461348176 1067835744 /nfs/dbraw/zinc/83/57/44/1067835744.db2.gz MYUBISXHBUONMB-UHFFFAOYSA-N 0 0 451.354 4.698 20 0 JJADRN COc1ccc(N(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC001461353281 1067836672 /nfs/dbraw/zinc/83/66/72/1067836672.db2.gz HMYQWIDBFPXXPV-UHFFFAOYSA-N 0 0 454.939 4.944 20 0 JJADRN CCOc1cc(CNc2ccc(F)cc2OC(F)F)ccc1OCC(=O)N1CCCCC1 ZINC001461353550 1067836839 /nfs/dbraw/zinc/83/68/39/1067836839.db2.gz PPYLPYSQGDJBQK-UHFFFAOYSA-N 0 0 452.473 4.829 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)nn1-c1cc(C)cc(C)c1 ZINC001461358152 1067837648 /nfs/dbraw/zinc/83/76/48/1067837648.db2.gz CPDLTJGAGKCCSX-QFIPXVFZSA-N 0 0 452.599 4.850 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461357952 1067837708 /nfs/dbraw/zinc/83/77/08/1067837708.db2.gz BWVOZXMUADAHFS-QAPCUYQASA-N 0 0 456.505 4.911 20 0 JJADRN Cc1cccc2nc(CCNC(=O)c3ccc(COc4cccc(Br)c4)o3)cn21 ZINC001461359654 1067838092 /nfs/dbraw/zinc/83/80/92/1067838092.db2.gz HNVWLGUDXVIHLR-UHFFFAOYSA-N 0 0 454.324 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C12CCCC2 ZINC001461359151 1067838111 /nfs/dbraw/zinc/83/81/11/1067838111.db2.gz FGEPMENLJQUGQG-FQEVSTJZSA-N 0 0 458.990 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC001461363584 1067838871 /nfs/dbraw/zinc/83/88/71/1067838871.db2.gz ZIZNIACGEOATPE-NBGIEHNGSA-N 0 0 455.530 4.666 20 0 JJADRN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(F)cc1Nc1ccccc1F ZINC001546123749 1067838998 /nfs/dbraw/zinc/83/89/98/1067838998.db2.gz ZOKFITJQFGIWRQ-UHFFFAOYSA-N 0 0 458.515 4.650 20 0 JJADRN Cc1cccc2nc(CCNC(=O)c3ccc(Oc4cccc(Br)c4)nc3)cn21 ZINC001461365645 1067839299 /nfs/dbraw/zinc/83/92/99/1067839299.db2.gz SFYAAZGRGUDZRV-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461365688 1067839381 /nfs/dbraw/zinc/83/93/81/1067839381.db2.gz SVRYBNLKUKMLNX-MRXNPFEDSA-N 0 0 455.368 4.949 20 0 JJADRN CCOc1cc(CNc2cccc([C@H]3CNC(=O)C3)c2)cc(Br)c1OC(F)F ZINC001461365896 1067839792 /nfs/dbraw/zinc/83/97/92/1067839792.db2.gz ULKWAQFYMIVMGU-CQSZACIVSA-N 0 0 455.299 4.665 20 0 JJADRN CCOc1cc(CNc2cccc([C@@H]3CNC(=O)C3)c2)cc(Br)c1OC(F)F ZINC001461365895 1067839810 /nfs/dbraw/zinc/83/98/10/1067839810.db2.gz ULKWAQFYMIVMGU-AWEZNQCLSA-N 0 0 455.299 4.665 20 0 JJADRN CC(C)[C@@H](NCc1ccc(-c2cccc(Br)c2)s1)c1nc(-c2nc[nH]n2)no1 ZINC001461367917 1067839888 /nfs/dbraw/zinc/83/98/88/1067839888.db2.gz AMNQBSLWZPBVBV-MRXNPFEDSA-N 0 0 459.373 4.833 20 0 JJADRN CC(C)c1cccc(NC(=O)COC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1 ZINC001461371321 1067840220 /nfs/dbraw/zinc/84/02/20/1067840220.db2.gz ZRBHCEGWCLNBLE-QFIPXVFZSA-N 0 0 459.384 4.891 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1 ZINC001461371151 1067840246 /nfs/dbraw/zinc/84/02/46/1067840246.db2.gz XUMZZIJWELHUQW-ROKPMTFOSA-N 0 0 452.620 4.785 20 0 JJADRN O=C(c1nc(Br)ccc1Br)N1CCCC[C@@H]1Cc1ccccc1F ZINC001461375210 1067841020 /nfs/dbraw/zinc/84/10/20/1067841020.db2.gz DRLYCZLYQKSNIW-CYBMUJFWSA-N 0 0 456.153 4.983 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001461378371 1067841834 /nfs/dbraw/zinc/84/18/34/1067841834.db2.gz WIYMFYLJQQHIAA-SIKLNZKXSA-N 0 0 458.599 4.626 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461381972 1067843217 /nfs/dbraw/zinc/84/32/17/1067843217.db2.gz SDULJKKZGKJUAA-AOMKIAJQSA-N 0 0 451.405 4.779 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cs1 ZINC001461385834 1067844163 /nfs/dbraw/zinc/84/41/63/1067844163.db2.gz OJMNUBOCJZUGOV-UHFFFAOYSA-N 0 0 458.381 4.544 20 0 JJADRN O=C([C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)N1CCN([C@H]2CCOC2)CC1 ZINC001461384783 1067844198 /nfs/dbraw/zinc/84/41/98/1067844198.db2.gz GDSKUAXNXOOZAA-RXVVDRJESA-N 0 0 451.419 4.760 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N3C[C@H](NC(=O)OC(C)(C)C)CCc4ccccc43)cc21 ZINC001461395445 1067845381 /nfs/dbraw/zinc/84/53/81/1067845381.db2.gz CRPLFXVGOPCYNW-GOSISDBHSA-N 0 0 450.539 4.833 20 0 JJADRN COC[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)c1cccc(OC)c1 ZINC001461399089 1067846255 /nfs/dbraw/zinc/84/62/55/1067846255.db2.gz JSQFLJUFFGDROH-INIZCTEOSA-N 0 0 450.226 4.733 20 0 JJADRN COc1cc(CNc2ccnn2Cc2cnn(-c3ccccc3)c2)ccc1OCC(F)(F)F ZINC001461408326 1067848632 /nfs/dbraw/zinc/84/86/32/1067848632.db2.gz GFTXLLAXTNWCSF-UHFFFAOYSA-N 0 0 457.456 4.679 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461409882 1067848694 /nfs/dbraw/zinc/84/86/94/1067848694.db2.gz PTJYURYBVTVXBD-LJQANCHMSA-N 0 0 454.290 4.785 20 0 JJADRN O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001461410470 1067849246 /nfs/dbraw/zinc/84/92/46/1067849246.db2.gz MPSILIYQFKBXRA-IBGZPJMESA-N 0 0 458.743 4.773 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461411008 1067849315 /nfs/dbraw/zinc/84/93/15/1067849315.db2.gz WKHHZAXEADVFHB-IBGZPJMESA-N 0 0 454.290 4.785 20 0 JJADRN COC(=O)Cc1occc1C(=O)O[C@@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC001461412574 1067849474 /nfs/dbraw/zinc/84/94/74/1067849474.db2.gz PPJVDTMUNHJJLS-AWEZNQCLSA-N 0 0 455.610 4.871 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)C1 ZINC001461414611 1067850489 /nfs/dbraw/zinc/85/04/89/1067850489.db2.gz VRRYWKUPACMUHA-ZUZCIYMTSA-N 0 0 456.686 4.898 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@@H]3c3ccc(Br)cc3)o2)cc1 ZINC001461415055 1067850513 /nfs/dbraw/zinc/85/05/13/1067850513.db2.gz XWQVPZODDAXKIJ-HXUWFJFHSA-N 0 0 455.352 4.945 20 0 JJADRN CCC(CC)(C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 ZINC001461418391 1067851775 /nfs/dbraw/zinc/85/17/75/1067851775.db2.gz KUKJXTOXBQDHSI-SFTDATJTSA-N 0 0 464.503 4.947 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)Cc2ccc(OCc3ccccc3)cc2)C2CCC2)C1 ZINC001461419935 1067852217 /nfs/dbraw/zinc/85/22/17/1067852217.db2.gz ZIJSQNDKVZWVFR-UHFFFAOYSA-N 0 0 450.579 4.809 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(I)cc1F ZINC001461421043 1067852527 /nfs/dbraw/zinc/85/25/27/1067852527.db2.gz LQVNCKPGYLWWAV-UHFFFAOYSA-N 0 0 456.202 4.575 20 0 JJADRN COc1ccc(OC(F)F)c(CNc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC001461423230 1067853173 /nfs/dbraw/zinc/85/31/73/1067853173.db2.gz ILBIAYOEAJDVET-UHFFFAOYSA-N 0 0 452.502 4.677 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001461433223 1067854879 /nfs/dbraw/zinc/85/48/79/1067854879.db2.gz SNTCTYPRUAFGKU-IBGZPJMESA-N 0 0 450.461 4.892 20 0 JJADRN O=C(Nc1cncc(OCC(F)(F)F)n1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001461436163 1067856398 /nfs/dbraw/zinc/85/63/98/1067856398.db2.gz HMJPOUUYLPNMBG-SFHVURJKSA-N 0 0 455.795 4.969 20 0 JJADRN CCCc1c(C(=O)OCc2ccccc2OCC)nnn1Cc1cccc(Br)c1 ZINC001461441101 1067857276 /nfs/dbraw/zinc/85/72/76/1067857276.db2.gz DVVTUMNUFGDXOB-UHFFFAOYSA-N 0 0 458.356 4.797 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CCCC1 ZINC001546124338 1067857815 /nfs/dbraw/zinc/85/78/15/1067857815.db2.gz SRLPLFGFFLWEFL-SFHVURJKSA-N 0 0 474.049 4.836 20 0 JJADRN O=C(c1ccc(OC2CCCC2)cc1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461442939 1067857821 /nfs/dbraw/zinc/85/78/21/1067857821.db2.gz ABNIGBZVIAWKNC-NQIIRXRSSA-N 0 0 452.517 4.804 20 0 JJADRN CCC(CC)(C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21)c1ccc(OC)c(OC)c1 ZINC001461446780 1067858480 /nfs/dbraw/zinc/85/84/80/1067858480.db2.gz XWNSSPCQHQUBOF-HXUWFJFHSA-N 0 0 453.579 4.785 20 0 JJADRN O=C(c1cc2ccccc2c(Cl)n1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448169 1067859167 /nfs/dbraw/zinc/85/91/67/1067859167.db2.gz OOSLCONZIYXYKP-MAUKXSAKSA-N 0 0 453.892 4.684 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](C(C)C)C2)CCOCC1 ZINC001546124372 1067859482 /nfs/dbraw/zinc/85/94/82/1067859482.db2.gz UHKOQHNSWOTSTP-HXUWFJFHSA-N 0 0 474.049 4.551 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448798 1067859502 /nfs/dbraw/zinc/85/95/02/1067859502.db2.gz QRWLOTPLLBMDCL-KGLIPLIRSA-N 0 0 459.921 4.745 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](C(C)C)C2)CCOCC1 ZINC001546124371 1067859562 /nfs/dbraw/zinc/85/95/62/1067859562.db2.gz UHKOQHNSWOTSTP-FQEVSTJZSA-N 0 0 474.049 4.551 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cc1 ZINC001461453023 1067860473 /nfs/dbraw/zinc/86/04/73/1067860473.db2.gz XPFMCIKIPFPOOM-UHFFFAOYSA-N 0 0 450.579 4.849 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001461459354 1067861955 /nfs/dbraw/zinc/86/19/55/1067861955.db2.gz BFHHGNMQELIEDP-IBGZPJMESA-N 0 0 454.290 4.785 20 0 JJADRN COc1cc(CNc2cccc(N3CCNC3=O)c2C)cc(Br)c1OC(F)F ZINC001461459908 1067862191 /nfs/dbraw/zinc/86/21/91/1067862191.db2.gz FWYASPODRBHDSG-UHFFFAOYSA-N 0 0 456.287 4.509 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1Cl ZINC001461461664 1067862770 /nfs/dbraw/zinc/86/27/70/1067862770.db2.gz DTKZWHYKJWGTEX-UHFFFAOYSA-N 0 0 451.939 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001461465859 1067863791 /nfs/dbraw/zinc/86/37/91/1067863791.db2.gz CIMDXLFWIKZOMH-DNQXCXABSA-N 0 0 463.553 4.826 20 0 JJADRN O=C(NCC(F)(F)F)c1ccc(NCc2nc(-c3cccc(Br)c3)c[nH]2)cc1 ZINC001461466724 1067864093 /nfs/dbraw/zinc/86/40/93/1067864093.db2.gz YADMTHVWFUVSEQ-UHFFFAOYSA-N 0 0 453.262 4.743 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461467413 1067864436 /nfs/dbraw/zinc/86/44/36/1067864436.db2.gz APYZLZAEPUXMKZ-YCRPNKLZSA-N 0 0 456.892 4.895 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)c1Cl ZINC001461467334 1067864568 /nfs/dbraw/zinc/86/45/68/1067864568.db2.gz SCAIVGIQKBTBQL-MRXNPFEDSA-N 0 0 450.992 4.515 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461467410 1067864592 /nfs/dbraw/zinc/86/45/92/1067864592.db2.gz APYZLZAEPUXMKZ-QVKFZJNVSA-N 0 0 456.892 4.895 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)nn1C ZINC001461468237 1067864917 /nfs/dbraw/zinc/86/49/17/1067864917.db2.gz CUGTXCDQQZVSBV-UHFFFAOYSA-N 0 0 458.603 4.848 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C(/C)c2ccco2)cc1 ZINC001461472381 1067866426 /nfs/dbraw/zinc/86/64/26/1067866426.db2.gz DDXLSCPBAGAXFQ-ZJTMMZGOSA-N 0 0 454.567 4.991 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(C(C)(C)C)cn2)cc1 ZINC001461473839 1067867419 /nfs/dbraw/zinc/86/74/19/1067867419.db2.gz FYTBDZKTKDKMCD-GMAHTHKFSA-N 0 0 467.610 4.911 20 0 JJADRN CC[C@]1(Cc2ccccc2)CCCN1C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC001461474936 1067867716 /nfs/dbraw/zinc/86/77/16/1067867716.db2.gz DPRKZZSRDNWBKP-HSZRJFAPSA-N 0 0 459.516 4.706 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2c(F)cccc2F)cc1 ZINC001461476000 1067868530 /nfs/dbraw/zinc/86/85/30/1067868530.db2.gz JYUWQZFMRHOYDY-RXVVDRJESA-N 0 0 460.521 4.887 20 0 JJADRN O=C(COCc1nc2ccccc2s1)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001461476742 1067868779 /nfs/dbraw/zinc/86/87/79/1067868779.db2.gz YRNNXRBTBIQEIT-UHFFFAOYSA-N 0 0 450.467 4.989 20 0 JJADRN C[C@H](COc1c(F)cccc1F)NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001461477685 1067869137 /nfs/dbraw/zinc/86/91/37/1067869137.db2.gz IEAXKJHQOXFZEH-SECBINFHSA-N 0 0 454.189 4.823 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CCCC(F)(F)C2)cc1 ZINC001461477369 1067869280 /nfs/dbraw/zinc/86/92/80/1067869280.db2.gz NFIJQJVLFFDXDA-IHPCNDPISA-N 0 0 452.542 4.730 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)no1 ZINC001461481398 1067870901 /nfs/dbraw/zinc/87/09/01/1067870901.db2.gz WVJVMKAQHGOPQN-DENIHFKCSA-N 0 0 477.561 4.873 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461481447 1067870917 /nfs/dbraw/zinc/87/09/17/1067870917.db2.gz YEGBAEFUFFHWAW-DHIUTWEWSA-N 0 0 460.578 4.704 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H]2CCO[C@H](CC)C2)cc1 ZINC001461481626 1067871379 /nfs/dbraw/zinc/87/13/79/1067871379.db2.gz ZVSHGHJSDFEPRQ-ZXHYAQOVSA-N 0 0 474.642 4.890 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001461483947 1067872097 /nfs/dbraw/zinc/87/20/97/1067872097.db2.gz DJFLGCRRNWIOLC-UHFFFAOYSA-N 0 0 459.015 4.680 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)ccc1Cl ZINC001461485693 1067872709 /nfs/dbraw/zinc/87/27/09/1067872709.db2.gz RJBKGJUWTPCAKP-FQEVSTJZSA-N 0 0 450.988 4.721 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3cc(-c4cccc(Br)c4)no3)n2)cc1 ZINC001461487967 1067873098 /nfs/dbraw/zinc/87/30/98/1067873098.db2.gz ZAWLTARVRXRZOJ-UHFFFAOYSA-N 0 0 451.280 4.822 20 0 JJADRN CC(=O)NCc1ccc(CNC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC001461488742 1067873439 /nfs/dbraw/zinc/87/34/39/1067873439.db2.gz BZISTGKOYJMDKV-HNNXBMFYSA-N 0 0 457.983 4.569 20 0 JJADRN COc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1S(=O)(=O)NC1CC1 ZINC001461490355 1067873943 /nfs/dbraw/zinc/87/39/43/1067873943.db2.gz KNDCHMKLAPHPHZ-UHFFFAOYSA-N 0 0 452.576 4.635 20 0 JJADRN COc1cc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)ccc1OC(F)F ZINC001461491219 1067874508 /nfs/dbraw/zinc/87/45/08/1067874508.db2.gz MXTCAJVNKXMRQG-UHFFFAOYSA-N 0 0 454.539 4.862 20 0 JJADRN CCOc1ccc(NCc2cc(Cl)c(OC)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC001461492623 1067875115 /nfs/dbraw/zinc/87/51/15/1067875115.db2.gz KTVDWTDTZWUGMG-UHFFFAOYSA-N 0 0 459.395 4.797 20 0 JJADRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccc(Cl)cc2)s1 ZINC001461494226 1067875460 /nfs/dbraw/zinc/87/54/60/1067875460.db2.gz PITQRGKTMCOCPM-UHFFFAOYSA-N 0 0 450.029 4.997 20 0 JJADRN COc1ccc(NCc2cccc(C)c2Br)cc1S(=O)(=O)N1CCCCC1 ZINC001461495768 1067875792 /nfs/dbraw/zinc/87/57/92/1067875792.db2.gz QTYNTZVYEWEYBH-UHFFFAOYSA-N 0 0 453.402 4.553 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001461497891 1067876355 /nfs/dbraw/zinc/87/63/55/1067876355.db2.gz YQAUYKMGNWRMIL-UHFFFAOYSA-N 0 0 456.376 4.948 20 0 JJADRN COCCNC(=O)c1cccc(NCc2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)c1 ZINC001461498093 1067876936 /nfs/dbraw/zinc/87/69/36/1067876936.db2.gz KMKYVXZFTRDZLH-UHFFFAOYSA-N 0 0 458.537 4.975 20 0 JJADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(CF)cc2)c1 ZINC001461499362 1067876991 /nfs/dbraw/zinc/87/69/91/1067876991.db2.gz UMQPYLWEHUPNKX-INIZCTEOSA-N 0 0 457.498 4.792 20 0 JJADRN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001461500107 1067877245 /nfs/dbraw/zinc/87/72/45/1067877245.db2.gz HFIARHFBNCXMSG-CQSZACIVSA-N 0 0 452.308 4.619 20 0 JJADRN O=C(OCc1ccc(CF)cc1)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001461500310 1067877462 /nfs/dbraw/zinc/87/74/62/1067877462.db2.gz AKGGRPNAAHPWHT-QGZVFWFLSA-N 0 0 452.295 4.653 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C(=O)c1csc(-c2ccccn2)n1 ZINC001461503295 1067877903 /nfs/dbraw/zinc/87/79/03/1067877903.db2.gz GRNDSVHKMGZJES-KRWDZBQOSA-N 0 0 450.564 4.691 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)N1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C ZINC001461506460 1067878561 /nfs/dbraw/zinc/87/85/61/1067878561.db2.gz KKLSQTPMOQBZAN-NRFANRHFSA-N 0 0 458.562 4.938 20 0 JJADRN COc1ccc(NCc2c(F)ccc(I)c2F)c(Br)c1 ZINC001461512839 1067879728 /nfs/dbraw/zinc/87/97/28/1067879728.db2.gz IMXYJEPCUUDTOO-UHFFFAOYSA-N 0 0 454.052 4.953 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC001461524643 1067881047 /nfs/dbraw/zinc/88/10/47/1067881047.db2.gz WKHFWAOVTXMFPM-UHFFFAOYSA-N 0 0 459.340 4.710 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(SC)ccc1Cl)C2=O ZINC001461524887 1067881105 /nfs/dbraw/zinc/88/11/05/1067881105.db2.gz NJLWAWBZJVNNLK-UHFFFAOYSA-N 0 0 452.020 4.917 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001461524696 1067881326 /nfs/dbraw/zinc/88/13/26/1067881326.db2.gz XYSUYQZUFFNITQ-ZDUSSCGKSA-N 0 0 454.162 4.982 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(F)cc2I)cn1 ZINC001461528602 1067882044 /nfs/dbraw/zinc/88/20/44/1067882044.db2.gz FYDWUFYUTSWWSC-UHFFFAOYSA-N 0 0 457.287 4.809 20 0 JJADRN CCOC(=O)N1CCC(C(=O)O[C@@H](c2ccc(Br)cc2C)C(F)(F)F)CC1 ZINC001461531958 1067882200 /nfs/dbraw/zinc/88/22/00/1067882200.db2.gz XKUPNLJWMWFFHB-HNNXBMFYSA-N 0 0 452.267 4.773 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)c1cnn(C)c1Br)C(F)(F)F ZINC001461531490 1067882291 /nfs/dbraw/zinc/88/22/91/1067882291.db2.gz WXHNMLQATIXUCU-LLVKDONJSA-N 0 0 456.056 4.714 20 0 JJADRN COc1cc(I)ccc1NCc1nc(Cl)ccc1Br ZINC001461534292 1067883402 /nfs/dbraw/zinc/88/34/02/1067883402.db2.gz WGOLQKCVIRISPF-UHFFFAOYSA-N 0 0 453.505 4.723 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC001461534064 1067883522 /nfs/dbraw/zinc/88/35/22/1067883522.db2.gz AXWIQKCKKIYIEC-HXUWFJFHSA-N 0 0 456.012 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NCc3ncc(Br)cc3F)cc2C1 ZINC001461537236 1067883884 /nfs/dbraw/zinc/88/38/84/1067883884.db2.gz FQSOKGAKVACAJS-UHFFFAOYSA-N 0 0 452.324 4.725 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)COc2ccc(OCc3ccccc3)cc2)n1 ZINC001461536857 1067883941 /nfs/dbraw/zinc/88/39/41/1067883941.db2.gz ZRSJUMZYJGYXHK-UHFFFAOYSA-N 0 0 454.939 4.794 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(I)ccc2F)CO1 ZINC001461546106 1067885883 /nfs/dbraw/zinc/88/58/83/1067885883.db2.gz ZUOHDIOZTDVVAX-MRXNPFEDSA-N 0 0 453.295 4.640 20 0 JJADRN NC(=O)CCNC(=O)c1ccc(NCc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)cc1 ZINC001461567144 1067890179 /nfs/dbraw/zinc/89/01/79/1067890179.db2.gz ZJKLIKUKUHHASS-UHFFFAOYSA-N 0 0 459.880 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)Cc3nsc4ccccc34)cc2)C1 ZINC001461567667 1067890217 /nfs/dbraw/zinc/89/02/17/1067890217.db2.gz CZKZMXITAIPFOR-HXUWFJFHSA-N 0 0 453.564 4.786 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc1)CO2 ZINC001461567780 1067890328 /nfs/dbraw/zinc/89/03/28/1067890328.db2.gz DZSHSXASKPIGNC-JTHBVZDNSA-N 0 0 452.551 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)C1 ZINC001461570298 1067890806 /nfs/dbraw/zinc/89/08/06/1067890806.db2.gz ZWXNDTPOERFZKZ-INIZCTEOSA-N 0 0 452.338 4.949 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001461576589 1067892024 /nfs/dbraw/zinc/89/20/24/1067892024.db2.gz QAYOEZSQQNRBNB-GOSISDBHSA-N 0 0 456.612 4.542 20 0 JJADRN CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1F ZINC001461577330 1067892826 /nfs/dbraw/zinc/89/28/26/1067892826.db2.gz QTFIGMBABHSZLH-UHFFFAOYSA-N 0 0 458.599 4.548 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CCC1 ZINC001546125475 1067893493 /nfs/dbraw/zinc/89/34/93/1067893493.db2.gz FOIIECVKBQFKDT-WOJBJXKFSA-N 0 0 471.621 4.879 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)ccc1C(F)(F)F ZINC001461585112 1067894284 /nfs/dbraw/zinc/89/42/84/1067894284.db2.gz XFTGDGUHLOCYCA-OAQYLSRUSA-N 0 0 454.448 4.841 20 0 JJADRN CO[C@@](C)(C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1)c1ccccc1 ZINC001461588737 1067894830 /nfs/dbraw/zinc/89/48/30/1067894830.db2.gz MXXPGIQTGYGLMU-HXUWFJFHSA-N 0 0 457.353 4.949 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)ccn1 ZINC001461596090 1067897125 /nfs/dbraw/zinc/89/71/25/1067897125.db2.gz HJFMEUQDLCPASM-FQEVSTJZSA-N 0 0 459.974 4.752 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC001461598052 1067898235 /nfs/dbraw/zinc/89/82/35/1067898235.db2.gz YWNUZQZIZSMGGI-UHFFFAOYSA-N 0 0 458.469 4.889 20 0 JJADRN Cn1nnnc1-c1ccc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC001461598040 1067898283 /nfs/dbraw/zinc/89/82/83/1067898283.db2.gz YTQLICDTCWISCO-FQEVSTJZSA-N 0 0 454.317 4.943 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001461599434 1067898496 /nfs/dbraw/zinc/89/84/96/1067898496.db2.gz UIUWOUROGCZFSA-HXUWFJFHSA-N 0 0 457.299 4.989 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)Cc3ccc(I)cc3)nc2)c1 ZINC001461599543 1067898589 /nfs/dbraw/zinc/89/85/89/1067898589.db2.gz DGTJKBLXRKUKDL-UHFFFAOYSA-N 0 0 459.287 4.620 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001461599438 1067898724 /nfs/dbraw/zinc/89/87/24/1067898724.db2.gz UJGZPJUNRJMKSD-NNWRFLSQSA-N 0 0 456.970 4.724 20 0 JJADRN CC1(NC(=O)c2cc(I)ccc2Br)CCC(F)(F)CC1 ZINC001461603111 1067899424 /nfs/dbraw/zinc/89/94/24/1067899424.db2.gz AYMLDDHSPBQYKO-UHFFFAOYSA-N 0 0 458.084 4.752 20 0 JJADRN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)[C@@H]1COc2ccc(Br)cc21 ZINC001461604332 1067899842 /nfs/dbraw/zinc/89/98/42/1067899842.db2.gz HICOEOSLLLHSPX-CQSZACIVSA-N 0 0 451.292 4.889 20 0 JJADRN CC[C@]1(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CCN(C(=O)OC(C)(C)C)C1 ZINC001461604360 1067899987 /nfs/dbraw/zinc/89/99/87/1067899987.db2.gz HTCBDGBAOUPMKX-QFIPXVFZSA-N 0 0 451.539 4.988 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@H](C)O1 ZINC001461610581 1067901179 /nfs/dbraw/zinc/90/11/79/1067901179.db2.gz VUJWRZIKUITTMX-IYBDPMFKSA-N 0 0 457.546 4.874 20 0 JJADRN CC[C@H](NCc1cc(Br)sc1Br)C(=O)NCc1cccs1 ZINC001461611054 1067901585 /nfs/dbraw/zinc/90/15/85/1067901585.db2.gz YPSLAXSFDPLRLR-NSHDSACASA-N 0 0 452.237 4.519 20 0 JJADRN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCCc2cc(Cl)ccc21 ZINC001461612654 1067901864 /nfs/dbraw/zinc/90/18/64/1067901864.db2.gz QCUJCNLZZBHCPL-GHRIWEEISA-N 0 0 459.011 4.722 20 0 JJADRN COc1ccc(N2C[C@H](NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2=O)cc1 ZINC001461618994 1067902988 /nfs/dbraw/zinc/90/29/88/1067902988.db2.gz PPLOYSCQZRSUFW-QGZVFWFLSA-N 0 0 452.986 4.727 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001461621692 1067903344 /nfs/dbraw/zinc/90/33/44/1067903344.db2.gz HZNVDADLPYBSTH-SWLSCSKDSA-N 0 0 471.266 4.887 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)c1ccc(OCC(F)(F)F)o1)CCC2 ZINC001461624597 1067904028 /nfs/dbraw/zinc/90/40/28/1067904028.db2.gz BJFXWMBXSMPAJX-UHFFFAOYSA-N 0 0 454.445 4.838 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3nc4ccccc4n3C(C)C)cc2)c1C ZINC001461624400 1067904046 /nfs/dbraw/zinc/90/40/46/1067904046.db2.gz BIWKRNQSVRQRJG-UHFFFAOYSA-N 0 0 459.550 4.778 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001461627052 1067904892 /nfs/dbraw/zinc/90/48/92/1067904892.db2.gz DPSZTSFAZQVTPK-UHFFFAOYSA-N 0 0 458.377 4.661 20 0 JJADRN COc1cccc(CNCc2cc(Cl)ccc2I)c1OC(F)F ZINC001461632477 1067906021 /nfs/dbraw/zinc/90/60/21/1067906021.db2.gz PDCKJXLVTQJRFE-UHFFFAOYSA-N 0 0 453.654 4.844 20 0 JJADRN Cc1ccc(-c2nn(C)cc2C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)o1 ZINC001461636775 1067906803 /nfs/dbraw/zinc/90/68/03/1067906803.db2.gz VBLSAWIWLFXREP-UHFFFAOYSA-N 0 0 450.539 4.606 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)c1Cl ZINC001461639422 1067907390 /nfs/dbraw/zinc/90/73/90/1067907390.db2.gz NKQNAETVUDTSNG-UHFFFAOYSA-N 0 0 451.287 4.885 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1F ZINC001461640215 1067907633 /nfs/dbraw/zinc/90/76/33/1067907633.db2.gz VBPWDTFIVZUPSP-CYBMUJFWSA-N 0 0 457.479 4.518 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc1F ZINC001461639645 1067907668 /nfs/dbraw/zinc/90/76/68/1067907668.db2.gz RYBKGWOYGMIOHW-LLVKDONJSA-N 0 0 452.269 4.511 20 0 JJADRN CC(=O)N(C)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC001461642631 1067908171 /nfs/dbraw/zinc/90/81/71/1067908171.db2.gz VBUQXFAANIALFF-UHFFFAOYSA-N 0 0 452.558 4.820 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461649981 1067909671 /nfs/dbraw/zinc/90/96/71/1067909671.db2.gz BDNAUEUTPMDBAL-OLZOCXBDSA-N 0 0 475.811 4.877 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CCC1 ZINC001546125987 1067909786 /nfs/dbraw/zinc/90/97/86/1067909786.db2.gz OWBSYZBIWBRLJR-QGZVFWFLSA-N 0 0 469.527 4.822 20 0 JJADRN Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001461649956 1067909796 /nfs/dbraw/zinc/90/97/96/1067909796.db2.gz ABCBCZVGWQSHJT-BPQIPLTHSA-N 0 0 451.633 4.501 20 0 JJADRN CC(C)Sc1cccc(Cl)c1CNCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1 ZINC001461650947 1067910136 /nfs/dbraw/zinc/91/01/36/1067910136.db2.gz XZMXXXAONXLPTM-UHFFFAOYSA-N 0 0 453.008 4.651 20 0 JJADRN CCCOc1c(CNc2nc3cc(I)ccc3[nH]2)cccc1OCC ZINC001461651487 1067910166 /nfs/dbraw/zinc/91/01/66/1067910166.db2.gz AWQXCMPSILCEIB-UHFFFAOYSA-N 0 0 451.308 4.967 20 0 JJADRN Cc1cc(Br)c(CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)s1 ZINC001461653609 1067910941 /nfs/dbraw/zinc/91/09/41/1067910941.db2.gz GVTQPZHXLMGZBV-KRWDZBQOSA-N 0 0 453.402 4.776 20 0 JJADRN Cn1ccnc1C[C@H](NCc1cc(Cl)ccc1I)c1ccccc1 ZINC001461656314 1067911263 /nfs/dbraw/zinc/91/12/63/1067911263.db2.gz LSAZFXULMKTIMZ-SFHVURJKSA-N 0 0 451.739 4.752 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001461657505 1067911648 /nfs/dbraw/zinc/91/16/48/1067911648.db2.gz DZNPGWISHZXXIV-CRAIPNDOSA-N 0 0 455.358 4.556 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)CCN1C(=O)OC(C)(C)C ZINC001461656847 1067911713 /nfs/dbraw/zinc/91/17/13/1067911713.db2.gz IYLSHFFOKWGNGA-PZJWPPBQSA-N 0 0 468.623 4.972 20 0 JJADRN COc1cc(CCC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc(OC)c1OC ZINC001461657693 1067911773 /nfs/dbraw/zinc/91/17/73/1067911773.db2.gz FSOFAYCRHDAUOV-UYAOXDASSA-N 0 0 478.630 4.577 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(Cl)c(Br)cc2OC)CCN1C(=O)OC(C)(C)C ZINC001461658820 1067912103 /nfs/dbraw/zinc/91/21/03/1067912103.db2.gz MSKYVIADKQWYHF-LSDHHAIUSA-N 0 0 461.784 4.629 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)no1 ZINC001461659095 1067912143 /nfs/dbraw/zinc/91/21/43/1067912143.db2.gz JWGLRGFTFGTWHW-YLJYHZDGSA-N 0 0 459.468 4.990 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)CCN1C(=O)OC(C)(C)C ZINC001461660150 1067912476 /nfs/dbraw/zinc/91/24/76/1067912476.db2.gz VIHAJJALPVSLEZ-LSDHHAIUSA-N 0 0 465.310 4.986 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CCCC(C)(C)C1 ZINC001461661959 1067912840 /nfs/dbraw/zinc/91/28/40/1067912840.db2.gz GYYNETCTQZSDGU-NRFANRHFSA-N 0 0 455.338 4.802 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461661909 1067913005 /nfs/dbraw/zinc/91/30/05/1067913005.db2.gz UAVIHCSKSLZHJZ-YZUZCNPQSA-N 0 0 468.475 4.599 20 0 JJADRN COC(=O)[C@@]1(OC)CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)C1 ZINC001461664160 1067913453 /nfs/dbraw/zinc/91/34/53/1067913453.db2.gz WUZSCCDVYDOXGA-HSZRJFAPSA-N 0 0 459.951 4.783 20 0 JJADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C)cc3)CC2)CCCC1 ZINC001546126145 1067914917 /nfs/dbraw/zinc/91/49/17/1067914917.db2.gz RNJABWCSVLIVST-QFIPXVFZSA-N 0 0 455.647 4.608 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2ccc(Cl)cc2Cl)CCc2cc(Br)ccc2C1 ZINC001461674047 1067915541 /nfs/dbraw/zinc/91/55/41/1067915541.db2.gz XAPCEQJJXWDUSA-IBGZPJMESA-N 0 0 457.151 4.586 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3CCN3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676577 1067916343 /nfs/dbraw/zinc/91/63/43/1067916343.db2.gz GGILWSLTORYIPA-FQEVSTJZSA-N 0 0 451.592 4.612 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cc(Cl)cc(C)c3OC)cc2)cc1 ZINC001461680402 1067917050 /nfs/dbraw/zinc/91/70/50/1067917050.db2.gz ZTUDJHFHFSDBGN-UHFFFAOYSA-N 0 0 452.938 4.777 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679909 1067917059 /nfs/dbraw/zinc/91/70/59/1067917059.db2.gz VVPCDRRUOBCAPG-HXUWFJFHSA-N 0 0 451.592 4.610 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001461678923 1067917134 /nfs/dbraw/zinc/91/71/34/1067917134.db2.gz RDDFIPVJMYLGNF-QHCPKHFHSA-N 0 0 450.966 4.932 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC001461679907 1067917156 /nfs/dbraw/zinc/91/71/56/1067917156.db2.gz VVPCDRRUOBCAPG-FQEVSTJZSA-N 0 0 451.592 4.610 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 ZINC001461693962 1067919905 /nfs/dbraw/zinc/91/99/05/1067919905.db2.gz OGWYEJFHIINQHD-NHCUHLMSSA-N 0 0 459.384 4.707 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001546126401 1067921541 /nfs/dbraw/zinc/92/15/41/1067921541.db2.gz WHQSCJJDHZQICE-WOJBJXKFSA-N 0 0 471.621 4.736 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)CC[C@H]1F ZINC001461703457 1067921867 /nfs/dbraw/zinc/92/18/67/1067921867.db2.gz RMZMIRQQNXJTML-ZIAGYGMSSA-N 0 0 469.273 4.545 20 0 JJADRN C[C@H]1c2ccccc2OCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001461704719 1067922378 /nfs/dbraw/zinc/92/23/78/1067922378.db2.gz IQVSWUXGXQNKDO-JXFKEZNVSA-N 0 0 450.457 4.606 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC001461717978 1067924420 /nfs/dbraw/zinc/92/44/20/1067924420.db2.gz HBERSFSEKBUZOY-LJQANCHMSA-N 0 0 457.290 4.735 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001461719722 1067924783 /nfs/dbraw/zinc/92/47/83/1067924783.db2.gz STTZQSGBUIUHHG-SFHVURJKSA-N 0 0 455.318 4.791 20 0 JJADRN CCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001461722611 1067925465 /nfs/dbraw/zinc/92/54/65/1067925465.db2.gz PBAITEJEJQQRMW-KRWDZBQOSA-N 0 0 455.542 4.911 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)nn1-c1ccccc1 ZINC001461721949 1067925597 /nfs/dbraw/zinc/92/55/97/1067925597.db2.gz XITUNAUUGSHOHW-HXUWFJFHSA-N 0 0 452.352 4.501 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)n1 ZINC001461724485 1067925901 /nfs/dbraw/zinc/92/59/01/1067925901.db2.gz WWCNRMZYRBEWEM-CQSZACIVSA-N 0 0 459.930 4.944 20 0 JJADRN CCOc1cc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)ccc1OCCOc1ccccc1 ZINC001461722723 1067925966 /nfs/dbraw/zinc/92/59/66/1067925966.db2.gz ZRCZUNCPOMSUQA-UHFFFAOYSA-N 0 0 458.518 4.591 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(I)cc1Cl ZINC001461725496 1067926304 /nfs/dbraw/zinc/92/63/04/1067926304.db2.gz SIVFBYHRWBBAOO-IAOVAPTHSA-N 0 0 458.126 4.975 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CNc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 ZINC001461729055 1067927027 /nfs/dbraw/zinc/92/70/27/1067927027.db2.gz KHVKAWDRGJDISD-UHFFFAOYSA-N 0 0 458.536 4.678 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001461738265 1067928117 /nfs/dbraw/zinc/92/81/17/1067928117.db2.gz RRZFEMWQOQCMRX-UHFFFAOYSA-N 0 0 451.379 4.540 20 0 JJADRN O=S(=O)(NCC(F)(F)F)c1ccc(NCc2cccc(COc3ccccc3)c2)cc1 ZINC001461747138 1067929832 /nfs/dbraw/zinc/92/98/32/1067929832.db2.gz TYKQIRSVPUIDQK-UHFFFAOYSA-N 0 0 450.482 4.718 20 0 JJADRN Cc1cccc2c1C[C@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)CO2 ZINC001461749023 1067930226 /nfs/dbraw/zinc/93/02/26/1067930226.db2.gz YRDIILMBOHHTCM-IBGZPJMESA-N 0 0 452.620 4.612 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)/C=C/c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC001461752550 1067930603 /nfs/dbraw/zinc/93/06/03/1067930603.db2.gz DCWXXTURZHDQMP-XCVCLJGOSA-N 0 0 455.341 4.854 20 0 JJADRN CCc1c(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cnn1-c1ccccn1 ZINC001461765732 1067932552 /nfs/dbraw/zinc/93/25/52/1067932552.db2.gz IUZLFHKEKQIYNT-KRWDZBQOSA-N 0 0 457.397 4.599 20 0 JJADRN CC1(C)[C@H](CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1(F)F ZINC001461763323 1067932605 /nfs/dbraw/zinc/93/26/05/1067932605.db2.gz JZQKMBJAIMFPSZ-INIZCTEOSA-N 0 0 453.272 4.815 20 0 JJADRN COc1cc(CN[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc(OC)c1OCC(F)F ZINC001461763877 1067932692 /nfs/dbraw/zinc/93/26/92/1067932692.db2.gz CMXSOZOZXZKFCA-HXUWFJFHSA-N 0 0 455.473 4.659 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(Cl)cc1Br ZINC001461767468 1067932986 /nfs/dbraw/zinc/93/29/86/1067932986.db2.gz CAMUWHNTRDUVBI-CYBMUJFWSA-N 0 0 451.748 4.720 20 0 JJADRN Cc1cc(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)ccc1NC(=O)OC(C)(C)C ZINC001461767302 1067933066 /nfs/dbraw/zinc/93/30/66/1067933066.db2.gz CYDOHMANQMJWBC-FQEVSTJZSA-N 0 0 450.543 4.831 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NCc1ccc(F)cc1I)c1ccc(F)cc1 ZINC001461768166 1067933461 /nfs/dbraw/zinc/93/34/61/1067933461.db2.gz XHGCOCHQJAAENC-KRWDZBQOSA-N 0 0 459.274 4.742 20 0 JJADRN COc1cc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c(Cl)cc1Br ZINC001461771803 1067933943 /nfs/dbraw/zinc/93/39/43/1067933943.db2.gz BXNGIKMNJHSIGJ-UHFFFAOYSA-N 0 0 453.764 4.978 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1ccc(I)cc1F ZINC001461772285 1067934297 /nfs/dbraw/zinc/93/42/97/1067934297.db2.gz HKDZJPDTVVTOEM-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)COc1cccc(NC(=O)c3ccco3)c1)C2 ZINC001461774848 1067934925 /nfs/dbraw/zinc/93/49/25/1067934925.db2.gz DPERKIMJALHMQI-UHFFFAOYSA-N 0 0 455.308 4.524 20 0 JJADRN CCn1c(SCC(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)nnc1-c1cccs1 ZINC001546127055 1067936457 /nfs/dbraw/zinc/93/64/57/1067936457.db2.gz LWWLDGOXPZOGPT-IBGZPJMESA-N 0 0 455.653 4.554 20 0 JJADRN C[C@@H]1OCCN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)[C@@H]1C(F)(F)F ZINC001461783680 1067936475 /nfs/dbraw/zinc/93/64/75/1067936475.db2.gz FATMXHLNRFUHCS-ZBEGNZNMSA-N 0 0 461.303 4.787 20 0 JJADRN CCOc1c(OC)cc(CNc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1OC ZINC001461782585 1067936554 /nfs/dbraw/zinc/93/65/54/1067936554.db2.gz JOWJVESEVYQBSS-UHFFFAOYSA-N 0 0 454.489 4.566 20 0 JJADRN C[C@@H]1OCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)[C@@H]1C(F)(F)F ZINC001461786450 1067937229 /nfs/dbraw/zinc/93/72/29/1067937229.db2.gz OABMVLILRPQNIV-NYHFZMIOSA-N 0 0 463.887 4.913 20 0 JJADRN COc1ccc(C(=O)NCCc2cccc(-c3ccccc3)c2)cc1I ZINC001461788591 1067937238 /nfs/dbraw/zinc/93/72/38/1067937238.db2.gz UPPCZCCMJPNUSG-UHFFFAOYSA-N 0 0 457.311 4.939 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Oc2ccc3cccnc3c2Br)n1 ZINC001461789669 1067937629 /nfs/dbraw/zinc/93/76/29/1067937629.db2.gz PHQRIGHLJINPJZ-UHFFFAOYSA-N 0 0 453.134 4.931 20 0 JJADRN COCCOCCOc1ccc(NCc2nc3c(s2)C[C@@H](C)CC3)cc1Br ZINC001461790508 1067937656 /nfs/dbraw/zinc/93/76/56/1067937656.db2.gz YOQXHAWZJJGLFC-AWEZNQCLSA-N 0 0 455.418 4.684 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC001461791104 1067937966 /nfs/dbraw/zinc/93/79/66/1067937966.db2.gz FGBGKXQTEZNYEC-SJORKVTESA-N 0 0 455.380 4.810 20 0 JJADRN O=C(CCc1cc(Br)cs1)Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC001461795563 1067938150 /nfs/dbraw/zinc/93/81/50/1067938150.db2.gz BTDKRFVOBKGBSN-UHFFFAOYSA-N 0 0 450.379 4.915 20 0 JJADRN O=C(NCC1CCc2ccccc2CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC001461802505 1067939352 /nfs/dbraw/zinc/93/93/52/1067939352.db2.gz ZVCCSABRPZHUPE-UHFFFAOYSA-N 0 0 459.775 4.608 20 0 JJADRN O=C(Nc1ccc(Oc2cccnn2)cc1)c1cc(Cl)ccc1I ZINC001461808419 1067940581 /nfs/dbraw/zinc/94/05/81/1067940581.db2.gz PJVAJNIHMUBTBW-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCc1nsc2ccccc12 ZINC001461813871 1067941395 /nfs/dbraw/zinc/94/13/95/1067941395.db2.gz JYSFXIRTICDAFM-UHFFFAOYSA-N 0 0 450.947 4.918 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]3(c4ccccc4)CC3(C)C)CC2)cc1 ZINC001461819957 1067941749 /nfs/dbraw/zinc/94/17/49/1067941749.db2.gz GSSSWWCVFBLTEG-SANMLTNESA-N 0 0 454.636 4.652 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1C[C@H](C)Oc2cc(Br)ccc21 ZINC001461818132 1067941777 /nfs/dbraw/zinc/94/17/77/1067941777.db2.gz XOTCGZUQSLNGSI-NSHDSACASA-N 0 0 455.146 4.956 20 0 JJADRN O=C(OC1CCC(F)(F)CC1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001461825978 1067942482 /nfs/dbraw/zinc/94/24/82/1067942482.db2.gz KKRXPPORSGWKBQ-UHFFFAOYSA-N 0 0 454.193 4.783 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)on1 ZINC001461843677 1067945353 /nfs/dbraw/zinc/94/53/53/1067945353.db2.gz PPJTXGXUOADJCY-OSPHWJPCSA-N 0 0 457.596 4.795 20 0 JJADRN CCN(CCOc1ccccc1OC)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC001461843436 1067945409 /nfs/dbraw/zinc/94/54/09/1067945409.db2.gz MOYMCEQOTVNYRV-UHFFFAOYSA-N 0 0 455.986 4.930 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C2 ZINC001461848286 1067946254 /nfs/dbraw/zinc/94/62/54/1067946254.db2.gz WNICGMQTYFOTOD-KSFYIVLOSA-N 0 0 456.505 4.769 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C2 ZINC001461848284 1067946292 /nfs/dbraw/zinc/94/62/92/1067946292.db2.gz WNICGMQTYFOTOD-AOMKIAJQSA-N 0 0 456.505 4.769 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1cccc(NC(=O)C3CCCCC3)c1)C2 ZINC001461847078 1067946299 /nfs/dbraw/zinc/94/62/99/1067946299.db2.gz VKAWWEVNHJHASL-IBVKSMDESA-N 0 0 455.599 4.725 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1ccc(Oc3ccccc3)nc1)C2 ZINC001461850944 1067946537 /nfs/dbraw/zinc/94/65/37/1067946537.db2.gz HNKHYKYYOHGDBL-UHFFFAOYSA-N 0 0 459.321 4.641 20 0 JJADRN C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001461850404 1067946723 /nfs/dbraw/zinc/94/67/23/1067946723.db2.gz MNBCPHTXWXHEOM-INIZCTEOSA-N 0 0 454.206 4.624 20 0 JJADRN CCN(Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC001461851154 1067946999 /nfs/dbraw/zinc/94/69/99/1067946999.db2.gz FSKRAQHPKNNEHE-QFIPXVFZSA-N 0 0 453.384 4.571 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N3CC(C)(C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461853073 1067947458 /nfs/dbraw/zinc/94/74/58/1067947458.db2.gz OLFDDSXCSMOMJD-MRXNPFEDSA-N 0 0 457.368 4.569 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)C1(c3cccc(Cl)c3)CCC1)C2 ZINC001461852853 1067947493 /nfs/dbraw/zinc/94/74/93/1067947493.db2.gz NXWCRTIHJDAQLL-UHFFFAOYSA-N 0 0 454.773 4.915 20 0 JJADRN C[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001461855805 1067948166 /nfs/dbraw/zinc/94/81/66/1067948166.db2.gz ZXHSDEVRRUUYGW-HNNXBMFYSA-N 0 0 458.883 4.696 20 0 JJADRN CSc1ccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1Br ZINC001461854645 1067948220 /nfs/dbraw/zinc/94/82/20/1067948220.db2.gz LYJAUTIUWAFCHK-CQSZACIVSA-N 0 0 459.406 4.526 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cc(Cl)c(Br)cc1F)S(=O)(=O)C1CCCCC1 ZINC001461856056 1067948582 /nfs/dbraw/zinc/94/85/82/1067948582.db2.gz RPKSPIKHJDZCCB-MRXNPFEDSA-N 0 0 454.789 4.952 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@H]1C ZINC001461865064 1067950118 /nfs/dbraw/zinc/95/01/18/1067950118.db2.gz IPTHWJLBIKYTCJ-FXRFXEHHSA-N 0 0 452.542 4.932 20 0 JJADRN Cc1cccc(NC[C@H]2CCCN2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865146 1067950340 /nfs/dbraw/zinc/95/03/40/1067950340.db2.gz CRUQLAHEHZPGBL-OAHLLOKOSA-N 0 0 454.210 4.574 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)c1ccccc1 ZINC001461871965 1067951727 /nfs/dbraw/zinc/95/17/27/1067951727.db2.gz QBCWTAFGQWUBGA-VWLOTQADSA-N 0 0 452.576 4.638 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)c1ccccc1 ZINC001461871958 1067951813 /nfs/dbraw/zinc/95/18/13/1067951813.db2.gz QBCWTAFGQWUBGA-RUZDIDTESA-N 0 0 452.576 4.638 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cccc(NC(=O)c3ccco3)c2)[C@@H]1C ZINC001461875867 1067952543 /nfs/dbraw/zinc/95/25/43/1067952543.db2.gz KXTMWUVLEYONCI-HLIPFELVSA-N 0 0 455.555 4.686 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3[C@H](C)[C@H](C)CC[C@H]3CNC(=O)OC(C)(C)C)c2)n1 ZINC001461877441 1067953012 /nfs/dbraw/zinc/95/30/12/1067953012.db2.gz MJLBAAYEBURRST-LLBVYWAGSA-N 0 0 454.615 4.702 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2[C@@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC001461880256 1067953270 /nfs/dbraw/zinc/95/32/70/1067953270.db2.gz ZNIHHYAAPPOAOQ-ULQDDVLXSA-N 0 0 459.612 4.973 20 0 JJADRN Nc1nsc(N2CCN(Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC001461880011 1067953310 /nfs/dbraw/zinc/95/33/10/1067953310.db2.gz BDDQDWVEZIIUTJ-UHFFFAOYSA-N 0 0 454.358 4.681 20 0 JJADRN Cc1ccc(Br)c(COC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1 ZINC001461884760 1067954610 /nfs/dbraw/zinc/95/46/10/1067954610.db2.gz PTFCQMZSZSRDQW-UHFFFAOYSA-N 0 0 451.382 4.978 20 0 JJADRN COc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)cc(OC)c1Br ZINC001461885749 1067954615 /nfs/dbraw/zinc/95/46/15/1067954615.db2.gz YMBPASVZZCWOPQ-UHFFFAOYSA-N 0 0 456.336 4.975 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001546127884 1067955433 /nfs/dbraw/zinc/95/54/33/1067955433.db2.gz HTBJSNZUHPXFEP-SSEXGKCCSA-N 0 0 490.471 4.610 20 0 JJADRN Cc1c(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)sc2c1cccc2Cl ZINC001461891830 1067955880 /nfs/dbraw/zinc/95/58/80/1067955880.db2.gz HVXLNXUHPCAHFU-INIZCTEOSA-N 0 0 453.004 4.945 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461893609 1067956269 /nfs/dbraw/zinc/95/62/69/1067956269.db2.gz AMUXMMLOVTZENY-GOSISDBHSA-N 0 0 453.583 4.623 20 0 JJADRN Cc1cc(Cl)nc(C(=O)Nc2cc(Br)cc(I)c2)c1 ZINC001461903909 1067958407 /nfs/dbraw/zinc/95/84/07/1067958407.db2.gz PUJLCJKRPYFCMA-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC001461915911 1067960553 /nfs/dbraw/zinc/96/05/53/1067960553.db2.gz VHYPLTPMKFUCEZ-RMKNXTFCSA-N 0 0 451.412 4.774 20 0 JJADRN CCOc1cc(CN2CCOC3(C2)CCCCCC3)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461916147 1067960582 /nfs/dbraw/zinc/96/05/82/1067960582.db2.gz BGKQTNXDOVYIPJ-UHFFFAOYSA-N 0 0 457.567 4.969 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1nc(COc2ccccc2)cs1 ZINC001461922326 1067961800 /nfs/dbraw/zinc/96/18/00/1067961800.db2.gz TUAVVXPHIRYQKJ-MOPGFXCFSA-N 0 0 455.536 4.924 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cc1Cl ZINC001461932345 1067963121 /nfs/dbraw/zinc/96/31/21/1067963121.db2.gz AZXDBHJGYHSTFQ-CYBMUJFWSA-N 0 0 451.354 4.564 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461931309 1067963150 /nfs/dbraw/zinc/96/31/50/1067963150.db2.gz ITWUYAFMXQIRLA-ZLUZWTFRSA-N 0 0 457.398 4.866 20 0 JJADRN C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932837 1067963731 /nfs/dbraw/zinc/96/37/31/1067963731.db2.gz FCLNMHAADKSYGS-WEIUTZTHSA-N 0 0 458.549 4.920 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC001461934767 1067964008 /nfs/dbraw/zinc/96/40/08/1067964008.db2.gz ISGXLVYCUFJXAT-GOSISDBHSA-N 0 0 456.789 4.704 20 0 JJADRN CCCOc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC001461939356 1067964945 /nfs/dbraw/zinc/96/49/45/1067964945.db2.gz NGXWMXLNORJFQP-UHFFFAOYSA-N 0 0 454.386 4.739 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461941480 1067965294 /nfs/dbraw/zinc/96/52/94/1067965294.db2.gz CXJUUXBASOEXPV-OYRHEFFESA-N 0 0 455.368 4.616 20 0 JJADRN O[C@H](C[C@@H]1COCCN1Cc1cc(Br)cc(Br)c1)c1ccccc1 ZINC001461942370 1067965318 /nfs/dbraw/zinc/96/53/18/1067965318.db2.gz KZUFXMVJHDHAHI-RTBURBONSA-N 0 0 455.190 4.536 20 0 JJADRN Cc1cc(OCC(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)ccc1Br ZINC001461945391 1067966068 /nfs/dbraw/zinc/96/60/68/1067966068.db2.gz WFYYPPGEQDSTJL-AWEZNQCLSA-N 0 0 453.764 4.654 20 0 JJADRN CC1(C)C(=O)Nc2ccc(C(=O)Nc3cc(F)c(Cl)cc3I)cc21 ZINC001461943962 1067966088 /nfs/dbraw/zinc/96/60/88/1067966088.db2.gz FXFWBEGXZDQQAN-UHFFFAOYSA-N 0 0 458.658 4.566 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001461948683 1067967148 /nfs/dbraw/zinc/96/71/48/1067967148.db2.gz IHFBQUFWTGGZDU-DNOBIOAJSA-N 0 0 457.574 4.632 20 0 JJADRN CC(C)c1c(C(=O)NCc2ccnc(N3CCSCC3)c2)cnn1-c1ccccc1Cl ZINC001461948224 1067967251 /nfs/dbraw/zinc/96/72/51/1067967251.db2.gz WGRVUZNYNBLABI-UHFFFAOYSA-N 0 0 456.015 4.527 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CCCC1 ZINC001546128325 1067967905 /nfs/dbraw/zinc/96/79/05/1067967905.db2.gz XWNVRPXCCISMBF-LJQANCHMSA-N 0 0 488.474 4.983 20 0 JJADRN Cc1ccc(N(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)C2CCOCC2)cc1C ZINC001461957114 1067968748 /nfs/dbraw/zinc/96/87/48/1067968748.db2.gz JOFWDEKLTJVXCV-UHFFFAOYSA-N 0 0 451.494 4.801 20 0 JJADRN CCOC[C@H]1CCCN(Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959481 1067969458 /nfs/dbraw/zinc/96/94/58/1067969458.db2.gz HVDWQWDUYUCPSN-HNNXBMFYSA-N 0 0 455.828 4.603 20 0 JJADRN O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001461962395 1067969660 /nfs/dbraw/zinc/96/96/60/1067969660.db2.gz YGRBBHFPKVVJJS-UHFFFAOYSA-N 0 0 454.427 4.790 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)c2)cc1 ZINC001461962471 1067969994 /nfs/dbraw/zinc/96/99/94/1067969994.db2.gz NAUNIPMDYJFCMG-NLFFAJNJSA-N 0 0 480.605 4.915 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CCN1C(=O)OC(C)(C)C ZINC001461964031 1067970527 /nfs/dbraw/zinc/97/05/27/1067970527.db2.gz QRJOTLPCAIUKLJ-KUHUBIRLSA-N 0 0 462.541 4.711 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001461966186 1067970919 /nfs/dbraw/zinc/97/09/19/1067970919.db2.gz PPWKAWHGKUYJEO-IBGZPJMESA-N 0 0 459.993 4.708 20 0 JJADRN CC(C)c1nc([C@H]2CCCCN2Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)no1 ZINC001461969558 1067971328 /nfs/dbraw/zinc/97/13/28/1067971328.db2.gz SWJYRLFSTHOWLB-LJQANCHMSA-N 0 0 459.591 4.570 20 0 JJADRN CC[C@H]1CCC[C@H](CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001461971367 1067971963 /nfs/dbraw/zinc/97/19/63/1067971963.db2.gz PARSUTVXSQMQJX-HOTGVXAUSA-N 0 0 452.970 4.882 20 0 JJADRN Cc1ccc(-c2ncc(CN3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)s2)cc1C ZINC001461973102 1067972457 /nfs/dbraw/zinc/97/24/57/1067972457.db2.gz AENFVUJKJBFLPY-IBGZPJMESA-N 0 0 452.599 4.711 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)Cc2ccccc21 ZINC001461977047 1067973366 /nfs/dbraw/zinc/97/33/66/1067973366.db2.gz GQYDJIQGMKJDQT-MRXNPFEDSA-N 0 0 456.514 4.665 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1cccc(Cl)c1 ZINC001461977084 1067973596 /nfs/dbraw/zinc/97/35/96/1067973596.db2.gz GTGNDSDNKGNMLW-INIZCTEOSA-N 0 0 456.789 4.811 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCN(C2CCC2)C1=O)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461978321 1067974017 /nfs/dbraw/zinc/97/40/17/1067974017.db2.gz BYZFICJXTZGQCJ-HNNXBMFYSA-N 0 0 452.407 4.664 20 0 JJADRN CCC[C@@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC001461982131 1067974437 /nfs/dbraw/zinc/97/44/37/1067974437.db2.gz WTXAGGLATZHBCG-OAHLLOKOSA-N 0 0 456.789 4.955 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2csc(C(F)(F)F)c2)c1 ZINC001461982189 1067974460 /nfs/dbraw/zinc/97/44/60/1067974460.db2.gz UVHJTULJQHEUIM-UHFFFAOYSA-N 0 0 454.495 4.522 20 0 JJADRN O=C(CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2 ZINC001461981516 1067974503 /nfs/dbraw/zinc/97/45/03/1067974503.db2.gz PWVJRMXTTIBYOP-UHFFFAOYSA-N 0 0 456.420 4.512 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(COc3cccc(Br)c3)o2)C2CC2)cn1 ZINC001461984450 1067974898 /nfs/dbraw/zinc/97/48/98/1067974898.db2.gz WVXAKOZUDYOZRL-NRFANRHFSA-N 0 0 457.324 4.906 20 0 JJADRN CC(C)(CNC(=O)COc1ccc(I)cc1)c1ccc2ccccc2c1 ZINC001461992845 1067976620 /nfs/dbraw/zinc/97/66/20/1067976620.db2.gz RYMKQXZITLYMFJ-UHFFFAOYSA-N 0 0 459.327 4.917 20 0 JJADRN Cc1cc(Br)cc(CN2CCC(NC(=O)c3ccsc3)CC2)c1OC(F)F ZINC001461990797 1067976700 /nfs/dbraw/zinc/97/67/00/1067976700.db2.gz WEYYRFCQNBCCFF-UHFFFAOYSA-N 0 0 459.356 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN(Cc2ccco2)Cc2ccccc2)C1 ZINC001462004702 1067978548 /nfs/dbraw/zinc/97/85/48/1067978548.db2.gz HXNYWKHCHUYAMH-NRFANRHFSA-N 0 0 451.571 4.646 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3c(F)ccc(F)c3Cl)CC2)c(C)c1C ZINC001462005169 1067978564 /nfs/dbraw/zinc/97/85/64/1067978564.db2.gz NXYXJOCCIGYNLG-UHFFFAOYSA-N 0 0 456.986 4.667 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc4c3OC(C)(C)CC4=O)CCCC2)c1 ZINC001462008004 1067979104 /nfs/dbraw/zinc/97/91/04/1067979104.db2.gz KEFOGEGRJZUUBN-UHFFFAOYSA-N 0 0 455.576 4.772 20 0 JJADRN CCN1c2ccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)cc2OCC(C)(C)C1=O ZINC001462009604 1067979550 /nfs/dbraw/zinc/97/95/50/1067979550.db2.gz KOAFEQVVWNMYSX-UHFFFAOYSA-N 0 0 456.449 4.698 20 0 JJADRN CCN1c2ccc(NC(=O)CCc3ccc(OC(F)(F)F)cc3)cc2OCC(C)(C)C1=O ZINC001462009673 1067979595 /nfs/dbraw/zinc/97/95/95/1067979595.db2.gz LMEUZJZHZWFPLL-UHFFFAOYSA-N 0 0 450.457 4.928 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001462008823 1067979606 /nfs/dbraw/zinc/97/96/06/1067979606.db2.gz UNLXUESVZIYYMI-UONOGXRCSA-N 0 0 453.130 4.740 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1F)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC001462009260 1067979685 /nfs/dbraw/zinc/97/96/85/1067979685.db2.gz PTZRNKKNHPZCBT-VHDGCEQUSA-N 0 0 457.112 4.692 20 0 JJADRN CCN1c2ccc(NC(=O)c3csc(Cc4ccccc4F)n3)cc2OCC(C)(C)C1=O ZINC001462010722 1067980015 /nfs/dbraw/zinc/98/00/15/1067980015.db2.gz NTVCPVUGNILHOZ-UHFFFAOYSA-N 0 0 453.539 4.897 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(OC)c3ccccc23)c1 ZINC001462011338 1067980121 /nfs/dbraw/zinc/98/01/21/1067980121.db2.gz ZLKOWJWOJQNQSF-QFIPXVFZSA-N 0 0 450.535 4.932 20 0 JJADRN O=C(Nc1cccc(C2CCOCC2)c1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001462013093 1067980340 /nfs/dbraw/zinc/98/03/40/1067980340.db2.gz WKVXWEQQGLVESI-UHFFFAOYSA-N 0 0 452.938 4.727 20 0 JJADRN CCN1c2ccc(NC(=O)[C@@H]3CCc4cc(Br)ccc43)cc2OCC(C)(C)C1=O ZINC001462012809 1067980475 /nfs/dbraw/zinc/98/04/75/1067980475.db2.gz XTKZHZGXLFKVIF-GOSISDBHSA-N 0 0 457.368 4.889 20 0 JJADRN CCN1c2ccc(NC(=O)[C@H]3CCc4cc(Br)ccc43)cc2OCC(C)(C)C1=O ZINC001462012811 1067980491 /nfs/dbraw/zinc/98/04/91/1067980491.db2.gz XTKZHZGXLFKVIF-SFHVURJKSA-N 0 0 457.368 4.889 20 0 JJADRN C[C@@]1(c2ccccc2)CC[C@@H](N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017100 1067981778 /nfs/dbraw/zinc/98/17/78/1067981778.db2.gz GCVCOVQEGQNVCC-XMSQKQJNSA-N 0 0 453.435 4.810 20 0 JJADRN Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC001462017954 1067981850 /nfs/dbraw/zinc/98/18/50/1067981850.db2.gz GCVULPYJFABNGS-UHFFFAOYSA-N 0 0 459.993 4.710 20 0 JJADRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(CCOc2ccccc2)CC1 ZINC001462017557 1067981927 /nfs/dbraw/zinc/98/19/27/1067981927.db2.gz AKPDASBSLDIKNO-UHFFFAOYSA-N 0 0 453.030 4.905 20 0 JJADRN Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC001462019972 1067982334 /nfs/dbraw/zinc/98/23/34/1067982334.db2.gz JCVDAXVJFOAPIX-NRFANRHFSA-N 0 0 452.982 4.582 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001462019317 1067982371 /nfs/dbraw/zinc/98/23/71/1067982371.db2.gz LLRUYQYJXCTKCM-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN O=C(NCc1ccsc1C(F)(F)F)C1(c2ccc(I)cc2)CC1 ZINC001462022687 1067982903 /nfs/dbraw/zinc/98/29/03/1067982903.db2.gz SKLQHEHHBOZTIJ-UHFFFAOYSA-N 0 0 451.251 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC001462023751 1067983277 /nfs/dbraw/zinc/98/32/77/1067983277.db2.gz ZBLBESKWSAJISN-XCLFUZPHSA-N 0 0 455.780 4.781 20 0 JJADRN O=C(NCc1ccsc1C(F)(F)F)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC001462023530 1067983338 /nfs/dbraw/zinc/98/33/38/1067983338.db2.gz WWVDGHTVIKTXSK-UHFFFAOYSA-N 0 0 458.461 4.536 20 0 JJADRN CC(C)Cn1nccc1CNc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001462024115 1067983708 /nfs/dbraw/zinc/98/37/08/1067983708.db2.gz SMYGBXMKNVVBRM-UHFFFAOYSA-N 0 0 456.587 4.708 20 0 JJADRN CCCn1cc(CNc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)c(C)n1 ZINC001462023992 1067983733 /nfs/dbraw/zinc/98/37/33/1067983733.db2.gz RXQDXCOZGPIFQL-QFIPXVFZSA-N 0 0 456.587 4.770 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(N[C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC001462026120 1067984155 /nfs/dbraw/zinc/98/41/55/1067984155.db2.gz LEVXLTMWJUTYJN-GOSISDBHSA-N 0 0 458.514 4.539 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)n2)s1 ZINC001462037726 1067986077 /nfs/dbraw/zinc/98/60/77/1067986077.db2.gz AQXYAOOIIUNBCW-UHFFFAOYSA-N 0 0 457.559 4.770 20 0 JJADRN Cc1cc(C)n2c(CN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)cnc2n1 ZINC001462036603 1067986143 /nfs/dbraw/zinc/98/61/43/1067986143.db2.gz CNXWEMZXZPTJQC-UHFFFAOYSA-N 0 0 453.896 4.867 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1Br ZINC001462041158 1067987364 /nfs/dbraw/zinc/98/73/64/1067987364.db2.gz XJBZKJKOZIWMGI-UHFFFAOYSA-N 0 0 459.384 4.981 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C)c2nccc(-c3sc(C)nc3C)n2)c1 ZINC001462041860 1067987847 /nfs/dbraw/zinc/98/78/47/1067987847.db2.gz WAFUWGJQASLHIF-UHFFFAOYSA-N 0 0 451.596 4.756 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001462043807 1067988391 /nfs/dbraw/zinc/98/83/91/1067988391.db2.gz KFIQTKPZCUUUCO-IVOMFYJKSA-N 0 0 452.599 4.731 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001462043812 1067988460 /nfs/dbraw/zinc/98/84/60/1067988460.db2.gz KFIQTKPZCUUUCO-TZEULACYSA-N 0 0 452.599 4.731 20 0 JJADRN C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2nc(Cl)ccc2Br)CC1 ZINC001462046992 1067989412 /nfs/dbraw/zinc/98/94/12/1067989412.db2.gz OSCVZGZZCTWGQM-ZDUSSCGKSA-N 0 0 451.821 4.986 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2)cs1 ZINC001462049060 1067990066 /nfs/dbraw/zinc/99/00/66/1067990066.db2.gz XKMHIBZWGCOGES-KDURUIRLSA-N 0 0 459.637 4.968 20 0 JJADRN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001462053164 1067991254 /nfs/dbraw/zinc/99/12/54/1067991254.db2.gz UHJHWWVZKFWDNP-FQEVSTJZSA-N 0 0 452.368 4.690 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCO[C@H](CCc4ccccc4)C3)cs2)cc1 ZINC001462057184 1067992477 /nfs/dbraw/zinc/99/24/77/1067992477.db2.gz DAXFOSMGKMDMRH-XMMPIXPASA-N 0 0 451.592 4.670 20 0 JJADRN CCOc1cc(CNc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1O ZINC001462055908 1067992815 /nfs/dbraw/zinc/99/28/15/1067992815.db2.gz XXPFLEZKEHGIML-UHFFFAOYSA-N 0 0 450.967 4.825 20 0 JJADRN CCO[C@@H]1C[C@H](NCc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@@]12CCCO2 ZINC001462061529 1067993906 /nfs/dbraw/zinc/99/39/06/1067993906.db2.gz GWPAUJBVONKLKA-UEXGIBASSA-N 0 0 459.375 4.534 20 0 JJADRN O=C(COc1ccc2ccccc2c1)Nc1nn(-c2ncccc2Cl)cc1Br ZINC001462064459 1067994426 /nfs/dbraw/zinc/99/44/26/1067994426.db2.gz XEDITKXNFNLOIH-UHFFFAOYSA-N 0 0 457.715 4.854 20 0 JJADRN COCCOCc1ccc(NC(=O)Cc2ccc(Br)c(Br)c2)cc1 ZINC001462068998 1067995767 /nfs/dbraw/zinc/99/57/67/1067995767.db2.gz ROQDUWIXTLJVAF-UHFFFAOYSA-N 0 0 457.162 4.556 20 0 JJADRN COCc1c(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cnn1-c1ccccc1 ZINC001462067506 1067995778 /nfs/dbraw/zinc/99/57/78/1067995778.db2.gz WDYXITBRDCCUDB-UHFFFAOYSA-N 0 0 459.453 4.808 20 0 JJADRN CCOc1cc(CN2CCN(CC)c3ccccc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462071067 1067996355 /nfs/dbraw/zinc/99/63/55/1067996355.db2.gz NJBGDDBODVHTNG-UHFFFAOYSA-N 0 0 450.535 4.890 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462074780 1067996753 /nfs/dbraw/zinc/99/67/53/1067996753.db2.gz YAZUZUFNRODURZ-IRXDYDNUSA-N 0 0 452.521 4.780 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)c1 ZINC001462073258 1067997022 /nfs/dbraw/zinc/99/70/22/1067997022.db2.gz RCFVHLLMWZMOIT-UHFFFAOYSA-N 0 0 457.602 4.702 20 0 JJADRN CC(=O)N(c1nc(CNCCCc2nc(-c3ccc(F)cc3)no2)cs1)c1ccccc1 ZINC001462082264 1067998348 /nfs/dbraw/zinc/99/83/48/1067998348.db2.gz PNEDAHASOMBYEY-UHFFFAOYSA-N 0 0 451.527 4.739 20 0 JJADRN C[C@H](CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C1CCCCC1 ZINC001462086510 1067998797 /nfs/dbraw/zinc/99/87/97/1067998797.db2.gz HSQTWQUZELENQM-HXUWFJFHSA-N 0 0 454.636 4.722 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546129308 1067998910 /nfs/dbraw/zinc/99/89/10/1067998910.db2.gz AVERPRHVCTYAGJ-KRWDZBQOSA-N 0 0 453.052 4.828 20 0 JJADRN CN(Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093213 1068000575 /nfs/dbraw/zinc/00/05/75/1068000575.db2.gz HDXYJPCWSHXOIG-OAQYLSRUSA-N 0 0 456.384 4.825 20 0 JJADRN CN(C)c1ccc([S@](C)(=O)=NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462093150 1068000817 /nfs/dbraw/zinc/00/08/17/1068000817.db2.gz FKKACQWWBGNUNL-MNAQKMTRSA-N 0 0 457.596 4.618 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCSC(C)(C)C2)CCOCC1 ZINC001546129352 1068001087 /nfs/dbraw/zinc/00/10/87/1068001087.db2.gz CKMJPTDMCYDANC-UHFFFAOYSA-N 0 0 460.644 4.501 20 0 JJADRN O=C(NC[C@]1(Cc2ccccc2)C=CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC001462099393 1068002196 /nfs/dbraw/zinc/00/21/96/1068002196.db2.gz RUOOFTJMDRCLOJ-HSZRJFAPSA-N 0 0 451.368 4.729 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c2ccccc21 ZINC001462101356 1068002613 /nfs/dbraw/zinc/00/26/13/1068002613.db2.gz CEBIOSSXVSGIKG-WHBJXLRSSA-N 0 0 454.636 4.968 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001462102840 1068003183 /nfs/dbraw/zinc/00/31/83/1068003183.db2.gz IUXYVAPDGQASSW-QFIPXVFZSA-N 0 0 455.396 4.973 20 0 JJADRN CC(C)Oc1cc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)ccc1Br ZINC001462102991 1068003232 /nfs/dbraw/zinc/00/32/32/1068003232.db2.gz DXWKWESOGWXNOE-UHFFFAOYSA-N 0 0 458.356 4.592 20 0 JJADRN COc1ccc(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC001462103729 1068003356 /nfs/dbraw/zinc/00/33/56/1068003356.db2.gz KEEOAAZKEKQFJP-GOTSBHOMSA-N 0 0 470.635 4.874 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC001462105403 1068003620 /nfs/dbraw/zinc/00/36/20/1068003620.db2.gz RPCIGMWWCLHIEU-GOSISDBHSA-N 0 0 459.413 4.829 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(I)c(F)c2)C2CCOCC2)cc1F ZINC001462104853 1068003812 /nfs/dbraw/zinc/00/38/12/1068003812.db2.gz CQHBNEWEBOWUKN-UHFFFAOYSA-N 0 0 457.258 4.704 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC001462105404 1068003843 /nfs/dbraw/zinc/00/38/43/1068003843.db2.gz RPCIGMWWCLHIEU-SFHVURJKSA-N 0 0 459.413 4.829 20 0 JJADRN Cc1ccc(N(C(=O)c2ccc(I)cc2F)C2CCOCC2)cc1F ZINC001462107010 1068004512 /nfs/dbraw/zinc/00/45/12/1068004512.db2.gz GWGGXNGXIVUQFI-UHFFFAOYSA-N 0 0 457.258 4.704 20 0 JJADRN CC(=O)N1CCN(Cc2ccccc2NCc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC001462107593 1068004683 /nfs/dbraw/zinc/00/46/83/1068004683.db2.gz WGDQBFGOKDIIQJ-UHFFFAOYSA-N 0 0 459.638 4.505 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC001462106805 1068004877 /nfs/dbraw/zinc/00/48/77/1068004877.db2.gz YFEZMSWDSLMDRE-FQEVSTJZSA-N 0 0 450.398 4.917 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC001462109497 1068005899 /nfs/dbraw/zinc/00/58/99/1068005899.db2.gz LNRIYFJWHKESIH-QGZVFWFLSA-N 0 0 450.888 4.796 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)Cc1c(C)nn(-c3ccc(C)c(Cl)c3)c1C)CC2 ZINC001462116605 1068007316 /nfs/dbraw/zinc/00/73/16/1068007316.db2.gz VZOWLTBSLSZUPR-UHFFFAOYSA-N 0 0 450.970 4.537 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(F)(F)C2)CCCC1 ZINC001546129484 1068007352 /nfs/dbraw/zinc/00/73/52/1068007352.db2.gz HXUKLHZGIFHILU-UHFFFAOYSA-N 0 0 450.530 4.787 20 0 JJADRN Cn1ncc(Br)c1CNC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001462115907 1068007365 /nfs/dbraw/zinc/00/73/65/1068007365.db2.gz OTDYAPBLYVJSDC-SFHVURJKSA-N 0 0 452.324 4.611 20 0 JJADRN Cc1c(F)cccc1N(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCO[C@@H]1C ZINC001462122611 1068009314 /nfs/dbraw/zinc/00/93/14/1068009314.db2.gz XVJWOCAWCFSQCE-LEOXJPRUSA-N 0 0 456.558 4.986 20 0 JJADRN COc1cnc(F)c(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 ZINC001462124882 1068010875 /nfs/dbraw/zinc/01/08/75/1068010875.db2.gz PCDWDDFGBYNKNN-UHFFFAOYSA-N 0 0 454.811 4.828 20 0 JJADRN OC1(Cc2cccc(F)c2)CCN(Cc2cc(Br)ccc2Br)CC1 ZINC001462126025 1068011012 /nfs/dbraw/zinc/01/10/12/1068011012.db2.gz GMMQDGCXJGMCFW-UHFFFAOYSA-N 0 0 457.181 4.920 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127680 1068011040 /nfs/dbraw/zinc/01/10/40/1068011040.db2.gz NXNHDCGXLDFVSE-IVZQSRNASA-N 0 0 450.348 4.901 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001462127974 1068011089 /nfs/dbraw/zinc/01/10/89/1068011089.db2.gz KLFZIVGOFNFTRL-KDOFPFPSSA-N 0 0 452.334 4.874 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21 ZINC001462129143 1068011582 /nfs/dbraw/zinc/01/15/82/1068011582.db2.gz RDPYLKDHJNNYBU-QZNHQXDQSA-N 0 0 457.615 4.592 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(C)Cc1ccccc1OCc1ccccc1)c1c(F)cccc1F ZINC001462137150 1068013185 /nfs/dbraw/zinc/01/31/85/1068013185.db2.gz KFGJCSQTQZKCAP-HSZRJFAPSA-N 0 0 452.501 4.770 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(C)Cc1ccccc1OCc1ccccc1)c1c(F)cccc1F ZINC001462137152 1068013199 /nfs/dbraw/zinc/01/31/99/1068013199.db2.gz KFGJCSQTQZKCAP-QHCPKHFHSA-N 0 0 452.501 4.770 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)[C@H]2CCOC2)CCCC1 ZINC001546129684 1068014673 /nfs/dbraw/zinc/01/46/73/1068014673.db2.gz OTGGSRTZCPJBMC-INIZCTEOSA-N 0 0 463.420 4.912 20 0 JJADRN CN(CCCC(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)C(=O)c1ccncc1 ZINC001462146434 1068014896 /nfs/dbraw/zinc/01/48/96/1068014896.db2.gz NWRLIKWYFJQSCP-HZPDHXFCSA-N 0 0 454.518 4.865 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001462147564 1068015288 /nfs/dbraw/zinc/01/52/88/1068015288.db2.gz PZGGICDJNQVHFY-NEPJUHHUSA-N 0 0 458.531 4.744 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)cc1 ZINC001462149061 1068015747 /nfs/dbraw/zinc/01/57/47/1068015747.db2.gz TUBYPQNURVYSQS-FCHUYYIVSA-N 0 0 470.591 4.503 20 0 JJADRN CCOCCN(C(=O)[C@H](C)Oc1ccc(F)cc1Br)[C@H]1CCc2ccccc21 ZINC001462152361 1068017001 /nfs/dbraw/zinc/01/70/01/1068017001.db2.gz PSIJQGCFBWDSKJ-YWZLYKJASA-N 0 0 450.348 4.908 20 0 JJADRN CCOCCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCc2ccccc21 ZINC001462153470 1068017902 /nfs/dbraw/zinc/01/79/02/1068017902.db2.gz SMHMLEDCMZGQIK-NRFANRHFSA-N 0 0 452.576 4.994 20 0 JJADRN CCOCCN(C(=O)c1scc(C)c1I)[C@@H]1CCc2ccccc21 ZINC001462155929 1068018299 /nfs/dbraw/zinc/01/82/99/1068018299.db2.gz WUNBPQFSQGDQGE-MRXNPFEDSA-N 0 0 455.361 4.827 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1nc(C2CCCCC2)cs1 ZINC001462162277 1068019350 /nfs/dbraw/zinc/01/93/50/1068019350.db2.gz SVTZXPWWXBHTPF-UHFFFAOYSA-N 0 0 453.655 4.608 20 0 JJADRN CN(C(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1nc2cc(Br)ccc2o1 ZINC001462161914 1068019521 /nfs/dbraw/zinc/01/95/21/1068019521.db2.gz HLUFIGMHBIQFED-UHFFFAOYSA-N 0 0 451.733 4.982 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC001462165434 1068019737 /nfs/dbraw/zinc/01/97/37/1068019737.db2.gz RUSSXXRMHNUEJZ-SNVBAGLBSA-N 0 0 454.118 4.783 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CCC1 ZINC001546129772 1068019787 /nfs/dbraw/zinc/01/97/87/1068019787.db2.gz SQYGMQXMBIRSIF-SWLSCSKDSA-N 0 0 476.341 4.772 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CCC1 ZINC001546129771 1068019881 /nfs/dbraw/zinc/01/98/81/1068019881.db2.gz SQYGMQXMBIRSIF-IUODEOHRSA-N 0 0 476.341 4.772 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC001462162998 1068019921 /nfs/dbraw/zinc/01/99/21/1068019921.db2.gz KENWYEKZCISKFI-JTQLQIEISA-N 0 0 458.234 4.900 20 0 JJADRN CN(C(=O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165727 1068020065 /nfs/dbraw/zinc/02/00/65/1068020065.db2.gz ZQNYMIGCUVHTEG-OAHLLOKOSA-N 0 0 452.190 4.697 20 0 JJADRN Cc1ccc(CN(Cc2cn(-c3ccc(F)cc3)nn2)C[C@@H]2CCCO2)c(Br)c1 ZINC001462169911 1068020927 /nfs/dbraw/zinc/02/09/27/1068020927.db2.gz BVHJBDPUHKOLJX-NRFANRHFSA-N 0 0 459.363 4.659 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 ZINC001462174350 1068021726 /nfs/dbraw/zinc/02/17/26/1068021726.db2.gz ASJYYQRNNCAGMS-ACJLOTCBSA-N 0 0 455.725 4.592 20 0 JJADRN O=C(NCC[C@@H]1CC=CCC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC001462175794 1068022200 /nfs/dbraw/zinc/02/22/00/1068022200.db2.gz MDZCIPXAMKVAKB-GOSISDBHSA-N 0 0 459.011 4.563 20 0 JJADRN COC(=O)c1cnc([C@@H](C)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)s1 ZINC001462180713 1068023279 /nfs/dbraw/zinc/02/32/79/1068023279.db2.gz YRXDAJWAFNQRTB-ZBFHGGJFSA-N 0 0 453.402 4.743 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@@](C)(CC)C2)CCCC1 ZINC001546129897 1068023485 /nfs/dbraw/zinc/02/34/85/1068023485.db2.gz YDHBWNRCNVMMAT-VWLOTQADSA-N 0 0 472.630 4.947 20 0 JJADRN COC(=O)c1cnc([C@H](C)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)s1 ZINC001462180704 1068023517 /nfs/dbraw/zinc/02/35/17/1068023517.db2.gz YRXDAJWAFNQRTB-GOEBONIOSA-N 0 0 453.402 4.743 20 0 JJADRN COc1cc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OC)c1OCC(F)F ZINC001462182847 1068024086 /nfs/dbraw/zinc/02/40/86/1068024086.db2.gz GLGGKODSMFPBCE-CYBMUJFWSA-N 0 0 451.445 4.696 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)Cn2c(=O)sc(C)c2-c2ccccc2)c1 ZINC001462182920 1068024228 /nfs/dbraw/zinc/02/42/28/1068024228.db2.gz HQTHTPOSHQLCJP-UHFFFAOYSA-N 0 0 451.331 4.617 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCC1 ZINC001546129955 1068026178 /nfs/dbraw/zinc/02/61/78/1068026178.db2.gz ZOAUPISAFINBJM-AWEZNQCLSA-N 0 0 489.384 4.689 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N(CCN3CCOCC3)c3ccccc3Cl)ccc2c1 ZINC001462196811 1068026980 /nfs/dbraw/zinc/02/69/80/1068026980.db2.gz HITGZDURUMQBQY-YRNVUSSQSA-N 0 0 450.966 4.880 20 0 JJADRN O=C(Nc1c(Cl)ccc2cnccc21)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001462198001 1068027480 /nfs/dbraw/zinc/02/74/80/1068027480.db2.gz KNLZBVIMVUEJGL-RVDMUPIBSA-N 0 0 455.967 4.539 20 0 JJADRN COc1cccc2c1OCC[C@H]2OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462198786 1068027510 /nfs/dbraw/zinc/02/75/10/1068027510.db2.gz MZWNFHLHVXUDDA-ZWKOTPCHSA-N 0 0 450.318 4.674 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC001462199715 1068027527 /nfs/dbraw/zinc/02/75/27/1068027527.db2.gz MAFQGWMTMZDFKQ-GOSISDBHSA-N 0 0 450.486 4.861 20 0 JJADRN CCOC(=O)c1csc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)c1C(=O)OCC ZINC001462201423 1068028148 /nfs/dbraw/zinc/02/81/48/1068028148.db2.gz ZTKDJRDKRYODIW-NSHDSACASA-N 0 0 459.442 4.526 20 0 JJADRN CCOC(=O)c1csc(NC(=O)c2cc(Br)cc(C)c2C)c1C(=O)OCC ZINC001462202646 1068028544 /nfs/dbraw/zinc/02/85/44/1068028544.db2.gz GHJBSDAYYAIPJP-UHFFFAOYSA-N 0 0 454.342 4.733 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)cc1OC ZINC001462205248 1068029017 /nfs/dbraw/zinc/02/90/17/1068029017.db2.gz QWUMBRMLPDTKGQ-UHFFFAOYSA-N 0 0 456.646 4.514 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001462204786 1068029029 /nfs/dbraw/zinc/02/90/29/1068029029.db2.gz SXLXEKOLDRVLPU-WBMJQRKESA-N 0 0 477.099 4.706 20 0 JJADRN Cc1ccc(N(CCC(=O)NCc2ccc(C(C)(C)C)o2)S(=O)(=O)c2ccccc2)cc1 ZINC001462212241 1068030186 /nfs/dbraw/zinc/03/01/86/1068030186.db2.gz RUWNQAGJHNHXMJ-UHFFFAOYSA-N 0 0 454.592 4.787 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001462222836 1068031569 /nfs/dbraw/zinc/03/15/69/1068031569.db2.gz CTOZIYFMRLIOTG-IRXDYDNUSA-N 0 0 452.621 4.713 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN2CCN(CC(F)(F)F)C(=O)C2)cc1 ZINC001462225553 1068032382 /nfs/dbraw/zinc/03/23/82/1068032382.db2.gz JQZZKWQIRSGHEW-UHFFFAOYSA-N 0 0 457.290 4.756 20 0 JJADRN CC[C@H]1CN(Cc2ccccc2Oc2ccc(Br)cc2F)C[C@H](C)S1(=O)=O ZINC001462223299 1068032567 /nfs/dbraw/zinc/03/25/67/1068032567.db2.gz DVQVFHNJQVOTKX-YOEHRIQHSA-N 0 0 456.377 4.778 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)nn1-c1ccccc1F ZINC001462227053 1068032942 /nfs/dbraw/zinc/03/29/42/1068032942.db2.gz LMIITJLCQCMUBQ-XMMPIXPASA-N 0 0 457.908 4.710 20 0 JJADRN CN(C(=O)CSCC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC001462231623 1068034285 /nfs/dbraw/zinc/03/42/85/1068034285.db2.gz YXFJTMPXWHZTAL-HSZRJFAPSA-N 0 0 455.039 4.927 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](O)CNCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC001462232231 1068034475 /nfs/dbraw/zinc/03/44/75/1068034475.db2.gz DCACDERDLJDUOE-NRFANRHFSA-N 0 0 459.999 4.930 20 0 JJADRN CC(C)[C@H]1N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC12CCCCCC2 ZINC001462244023 1068037097 /nfs/dbraw/zinc/03/70/97/1068037097.db2.gz KDJIVFRMMXGZMD-QFBILLFUSA-N 0 0 459.077 4.762 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)nnc1-c1ccccc1 ZINC001462247812 1068037543 /nfs/dbraw/zinc/03/75/43/1068037543.db2.gz QKUKIHPDIRRBAM-UTKZUKDTSA-N 0 0 454.571 4.827 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NCc1cn(Cc2ccccc2)nc1C(C)(C)C)C(F)F ZINC001462249038 1068038027 /nfs/dbraw/zinc/03/80/27/1068038027.db2.gz SOYWHHUPEGCVBF-IBGZPJMESA-N 0 0 450.574 4.867 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001462250089 1068038109 /nfs/dbraw/zinc/03/81/09/1068038109.db2.gz UKJQKRYRBKXHQQ-BBRMVZONSA-N 0 0 461.406 4.702 20 0 JJADRN C[C@@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462257724 1068039461 /nfs/dbraw/zinc/03/94/61/1068039461.db2.gz SKBRKVZKYTWCQH-INIZCTEOSA-N 0 0 450.585 4.900 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256654 1068039675 /nfs/dbraw/zinc/03/96/75/1068039675.db2.gz CYLPCJKNEBWDPG-AQDCRGGLSA-N 0 0 452.904 4.698 20 0 JJADRN COC(=O)C[C@@H](NC(=O)/C=C/C1CCCCCC1)c1cccc(I)c1 ZINC001462259691 1068040012 /nfs/dbraw/zinc/04/00/12/1068040012.db2.gz MTBJUJNXCGZWOJ-IENJSVCTSA-N 0 0 455.336 4.538 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2ccc(Sc3ccccn3)o2)CC1 ZINC001462262540 1068040564 /nfs/dbraw/zinc/04/05/64/1068040564.db2.gz WMAODYQXCKFPET-UHFFFAOYSA-N 0 0 450.560 4.854 20 0 JJADRN COC(=O)c1cccc(NC(=O)C[C@H](C)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c1 ZINC001462262469 1068040630 /nfs/dbraw/zinc/04/06/30/1068040630.db2.gz VSSAQJQZGDEEJK-KRWDZBQOSA-N 0 0 455.555 4.669 20 0 JJADRN Cc1ncc(Br)cc1NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC001462262677 1068040771 /nfs/dbraw/zinc/04/07/71/1068040771.db2.gz OOFIMIZOTKRGNY-UHFFFAOYSA-N 0 0 452.780 4.724 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)cc1 ZINC001462264848 1068041202 /nfs/dbraw/zinc/04/12/02/1068041202.db2.gz FNDLVGYEFKVQEJ-HOTGVXAUSA-N 0 0 452.942 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC001462274031 1068041919 /nfs/dbraw/zinc/04/19/19/1068041919.db2.gz MFWVKDYALCJHBS-UHFFFAOYSA-N 0 0 452.386 4.550 20 0 JJADRN CC1(C)CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c2c1cccc2C(F)(F)F ZINC001462275347 1068041967 /nfs/dbraw/zinc/04/19/67/1068041967.db2.gz AJYJTOANKYDFOC-UHFFFAOYSA-N 0 0 451.919 4.660 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC001462287904 1068043987 /nfs/dbraw/zinc/04/39/87/1068043987.db2.gz KNBWFHUTOOMMJR-VWLOTQADSA-N 0 0 452.551 4.613 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)COc1ccc(C(C)C)c(C)c1 ZINC001462287461 1068044144 /nfs/dbraw/zinc/04/41/44/1068044144.db2.gz HIQWNRCLOPQAFD-IBGZPJMESA-N 0 0 454.386 4.694 20 0 JJADRN CC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)c1cccc(OC)c1OC ZINC001462291282 1068044420 /nfs/dbraw/zinc/04/44/20/1068044420.db2.gz DPPSDNMUAHEYOI-SFHVURJKSA-N 0 0 458.356 4.592 20 0 JJADRN Fc1cc(Br)c(I)cc1CN1CCCc2occc2C1 ZINC001462291740 1068044885 /nfs/dbraw/zinc/04/48/85/1068044885.db2.gz FNVSTSNJKDVXHU-UHFFFAOYSA-N 0 0 450.089 4.734 20 0 JJADRN C[C@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)c1nnnn1C1CC1 ZINC001462292365 1068045169 /nfs/dbraw/zinc/04/51/69/1068045169.db2.gz IKYGUSBNIJYKGQ-JTQLQIEISA-N 0 0 451.383 4.593 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001462294074 1068045396 /nfs/dbraw/zinc/04/53/96/1068045396.db2.gz LESMYERPLXVIFH-INIZCTEOSA-N 0 0 450.457 4.702 20 0 JJADRN C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC001462294630 1068045670 /nfs/dbraw/zinc/04/56/70/1068045670.db2.gz TYRWYAJJKMSQJI-TZMCWYRMSA-N 0 0 464.374 4.958 20 0 JJADRN O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1csc(I)c1 ZINC001462298879 1068046994 /nfs/dbraw/zinc/04/69/94/1068046994.db2.gz BYQYVCJMVWTZBJ-UHFFFAOYSA-N 0 0 451.260 4.975 20 0 JJADRN CCn1c(SCC(=O)Nc2ccnn2-c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC001462304890 1068047479 /nfs/dbraw/zinc/04/74/79/1068047479.db2.gz WGJRFSDENYRXEK-UHFFFAOYSA-N 0 0 456.934 4.674 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1 ZINC001462302431 1068047550 /nfs/dbraw/zinc/04/75/50/1068047550.db2.gz VYWBFLMKYVFINI-SDNWHVSQSA-N 0 0 456.517 4.947 20 0 JJADRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2c(Br)cccc12 ZINC001462310394 1068048912 /nfs/dbraw/zinc/04/89/12/1068048912.db2.gz ANWFYMNNZNZBLA-JOCHJYFZSA-N 0 0 453.380 4.812 20 0 JJADRN Cn1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c(C2CCCCC2)n1 ZINC001462311879 1068049099 /nfs/dbraw/zinc/04/90/99/1068049099.db2.gz UHTDDCZKXGFFMY-GOSISDBHSA-N 0 0 452.599 4.812 20 0 JJADRN C[C@@H]1Cc2cccc(F)c2N(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC001462315316 1068049523 /nfs/dbraw/zinc/04/95/23/1068049523.db2.gz VDGNXSGXQOSPLB-LLVKDONJSA-N 0 0 450.333 4.858 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(c2ccccn2)[C@@H](C)c2ccccc2)ccc1C ZINC001462315054 1068049682 /nfs/dbraw/zinc/04/96/82/1068049682.db2.gz WOFXYARKVGOACU-FQEVSTJZSA-N 0 0 451.592 4.829 20 0 JJADRN O=S(=O)(NC[C@@H]1CCCN(Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316416 1068050363 /nfs/dbraw/zinc/05/03/63/1068050363.db2.gz IMFMUGWRINTFNW-INIZCTEOSA-N 0 0 452.979 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001462322392 1068050939 /nfs/dbraw/zinc/05/09/39/1068050939.db2.gz FGMGYSFLAVGEOU-VQTJNVASSA-N 0 0 457.958 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001462322380 1068050973 /nfs/dbraw/zinc/05/09/73/1068050973.db2.gz FGMGYSFLAVGEOU-PMACEKPBSA-N 0 0 457.958 4.722 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001462325948 1068051786 /nfs/dbraw/zinc/05/17/86/1068051786.db2.gz LXSVFYMSVSVJLU-IRXDYDNUSA-N 0 0 453.674 4.743 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](COC)c2cccc(Br)c2)c1 ZINC001462326084 1068051813 /nfs/dbraw/zinc/05/18/13/1068051813.db2.gz ZFDMKSVFGXRSEO-KRWDZBQOSA-N 0 0 455.736 4.788 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nnc([C@@H]4CCCO4)s3)c2)cc1 ZINC001462326966 1068051835 /nfs/dbraw/zinc/05/18/35/1068051835.db2.gz RXFCCTXPINEYGJ-NRFANRHFSA-N 0 0 451.548 4.743 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001462325954 1068051879 /nfs/dbraw/zinc/05/18/79/1068051879.db2.gz LXSVFYMSVSVJLU-SJORKVTESA-N 0 0 453.674 4.743 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001462328361 1068052209 /nfs/dbraw/zinc/05/22/09/1068052209.db2.gz CNTOLFGVEAKDOP-CYBMUJFWSA-N 0 0 457.365 4.518 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C ZINC001462328682 1068052277 /nfs/dbraw/zinc/05/22/77/1068052277.db2.gz CNTOLFGVEAKDOP-ZDUSSCGKSA-N 0 0 457.365 4.518 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)c2)cs1 ZINC001462330720 1068052626 /nfs/dbraw/zinc/05/26/26/1068052626.db2.gz WHGPOOXYTNUILQ-NHCUHLMSSA-N 0 0 457.596 4.645 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)c1 ZINC001462333166 1068052916 /nfs/dbraw/zinc/05/29/16/1068052916.db2.gz OQNJUSVKNPHFRN-XMMPIXPASA-N 0 0 450.608 4.981 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC001462333100 1068052926 /nfs/dbraw/zinc/05/29/26/1068052926.db2.gz YLAOZZGKASETJN-UHFFFAOYSA-N 0 0 452.942 4.811 20 0 JJADRN CCCNC(=O)Cc1csc(NC(=O)c2oc3c(cc(Br)cc3C)c2C)n1 ZINC001462336882 1068053590 /nfs/dbraw/zinc/05/35/90/1068053590.db2.gz TWZRFUQQNBMMOS-UHFFFAOYSA-N 0 0 450.358 4.590 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[C@@H](OC)C2)CCCC1 ZINC001546130942 1068055034 /nfs/dbraw/zinc/05/50/34/1068055034.db2.gz JHDCCHOLNHZDQY-QGZVFWFLSA-N 0 0 463.420 4.912 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2nc1CC ZINC001462342637 1068055147 /nfs/dbraw/zinc/05/51/47/1068055147.db2.gz DMLZDVGGRRBZIR-MBSDFSHPSA-N 0 0 452.599 4.616 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2c3c(ccc2F)OCO3)c1)c1ccc(Br)cc1 ZINC001462342451 1068055206 /nfs/dbraw/zinc/05/52/06/1068055206.db2.gz WHEUURFTVRGKAP-UHFFFAOYSA-N 0 0 457.255 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)C1 ZINC001462343474 1068055613 /nfs/dbraw/zinc/05/56/13/1068055613.db2.gz IFGLFQCVIQKBOH-XLIONFOSSA-N 0 0 457.546 4.661 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CCC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)cs2)c1 ZINC001462346374 1068056015 /nfs/dbraw/zinc/05/60/15/1068056015.db2.gz WTYJMBPNPKWJIB-PZJWPPBQSA-N 0 0 455.624 4.909 20 0 JJADRN CC(=O)c1ccc(Br)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC001462348358 1068056501 /nfs/dbraw/zinc/05/65/01/1068056501.db2.gz IIIIGOJLBOYRJO-UHFFFAOYSA-N 0 0 450.289 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC001462351585 1068057333 /nfs/dbraw/zinc/05/73/33/1068057333.db2.gz YFZAYIFAPHPNCF-PKOBYXMFSA-N 0 0 459.587 4.735 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001462352677 1068057625 /nfs/dbraw/zinc/05/76/25/1068057625.db2.gz IHJKNISQZOJAQF-NRFANRHFSA-N 0 0 457.954 4.673 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(Br)sc1Br ZINC001462353835 1068057792 /nfs/dbraw/zinc/05/77/92/1068057792.db2.gz VVYXXLSGRPTQHA-JTQLQIEISA-N 0 0 453.196 4.610 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001462353876 1068057891 /nfs/dbraw/zinc/05/78/91/1068057891.db2.gz CYANCOOZVMQVOQ-RPWUZVMVSA-N 0 0 469.990 4.964 20 0 JJADRN COc1sc(CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)cc1Br ZINC001462360394 1068059288 /nfs/dbraw/zinc/05/92/88/1068059288.db2.gz STLBJZVUDLFMGS-AWEZNQCLSA-N 0 0 453.402 4.975 20 0 JJADRN COC(=O)c1cccc2c(CNc3ccc(Cl)c(I)c3)ccnc12 ZINC001462364772 1068060738 /nfs/dbraw/zinc/06/07/38/1068060738.db2.gz PNHOJSMCXHPJQR-UHFFFAOYSA-N 0 0 452.679 4.892 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)cc2ccccc21 ZINC001462368472 1068061146 /nfs/dbraw/zinc/06/11/46/1068061146.db2.gz AESRWXILBZOOBX-UHFFFAOYSA-N 0 0 450.292 4.827 20 0 JJADRN Fc1ccc(F)c2c1O[C@@H]1CN(Cc3cc(C(F)(F)F)ccc3Br)C[C@@H]1O2 ZINC001462369666 1068061391 /nfs/dbraw/zinc/06/13/91/1068061391.db2.gz TXUQUJKQIXJEGO-GASCZTMLSA-N 0 0 450.201 4.770 20 0 JJADRN C[C@H]1CC[C@@H](NCc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369057 1068061697 /nfs/dbraw/zinc/06/16/97/1068061697.db2.gz CPRPDHXSJQRFGH-VHSXEESVSA-N 0 0 455.290 4.883 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CNc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC001462374550 1068062397 /nfs/dbraw/zinc/06/23/97/1068062397.db2.gz NASMKHREXGYONV-UHFFFAOYSA-N 0 0 453.905 4.698 20 0 JJADRN Cc1cc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc(S(C)(=O)=O)c1 ZINC001462374966 1068062565 /nfs/dbraw/zinc/06/25/65/1068062565.db2.gz UZCAZLPMBNOQSE-UHFFFAOYSA-N 0 0 450.532 4.717 20 0 JJADRN CCc1cc(C)c(OC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)c(C)c1 ZINC001462376499 1068062579 /nfs/dbraw/zinc/06/25/79/1068062579.db2.gz HMUFLSJZGAASLD-IERDGZPVSA-N 0 0 459.608 4.951 20 0 JJADRN Cn1cc([C@@H]2CN(CCCc3c(Cl)cccc3Cl)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462376056 1068062592 /nfs/dbraw/zinc/06/25/92/1068062592.db2.gz RHMSWDRXWWYCKH-FXAWDEMLSA-N 0 0 453.414 4.652 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC(=O)N(C)[C@@H](C)C2)CCC1 ZINC001546131182 1068062876 /nfs/dbraw/zinc/06/28/76/1068062876.db2.gz RMTGHZOSCUIXAA-AWEZNQCLSA-N 0 0 480.838 4.608 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001462377770 1068062905 /nfs/dbraw/zinc/06/29/05/1068062905.db2.gz LIAHKNQCUAWBGA-FHLIZLRMSA-N 0 0 451.158 4.597 20 0 JJADRN COc1ccc([C@H]2COCCN2C(=O)c2cc(-c3ccc(Br)cc3)ns2)cc1 ZINC001462386895 1068063764 /nfs/dbraw/zinc/06/37/64/1068063764.db2.gz FSTUUEGMFSEZNI-LJQANCHMSA-N 0 0 459.365 4.795 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCS[C@H](C)C2)CCOCC1 ZINC001546131248 1068064332 /nfs/dbraw/zinc/06/43/32/1068064332.db2.gz UTOIAJSCNZZPHV-MRXNPFEDSA-N 0 0 495.487 4.865 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(OC)c(C(=O)c4ccccc4)c3)n2)cc1 ZINC001462392424 1068064805 /nfs/dbraw/zinc/06/48/05/1068064805.db2.gz CDRCDGCRPHTGPX-UHFFFAOYSA-N 0 0 457.486 4.556 20 0 JJADRN COc1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1C(=O)c1ccccc1 ZINC001462399647 1068066207 /nfs/dbraw/zinc/06/62/07/1068066207.db2.gz WQEKRXFATXRJSJ-UHFFFAOYSA-N 0 0 458.514 4.609 20 0 JJADRN COC(=O)C(C)(C)N(CC(C)C)C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC001462403804 1068066600 /nfs/dbraw/zinc/06/66/00/1068066600.db2.gz OFRAFMKSNNEKBY-UHFFFAOYSA-N 0 0 452.311 4.837 20 0 JJADRN CN(Cc1ccccc1CNCc1nc2ccccn2c1Br)C(=O)OC(C)(C)C ZINC001462404938 1068066994 /nfs/dbraw/zinc/06/69/94/1068066994.db2.gz OUVXEXUFJRCBQC-UHFFFAOYSA-N 0 0 459.388 4.754 20 0 JJADRN COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412934 1068069357 /nfs/dbraw/zinc/06/93/57/1068069357.db2.gz HIVLMMQAQFIRIY-JLWUKTJBSA-N 0 0 464.503 4.912 20 0 JJADRN COc1cc(C(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc(OC)c1OC ZINC001462412029 1068069534 /nfs/dbraw/zinc/06/95/34/1068069534.db2.gz RZPFYNRSQBRCSV-OAQYLSRUSA-N 0 0 456.539 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CN3CC(Oc4cccc(Cl)c4Cl)C3)on2)C1 ZINC001462414060 1068069658 /nfs/dbraw/zinc/06/96/58/1068069658.db2.gz ODOPHTDYNSCVIF-UHFFFAOYSA-N 0 0 454.354 4.579 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001546131499 1068070407 /nfs/dbraw/zinc/07/04/07/1068070407.db2.gz BZNCGZRWPJLWQH-VWNXMTODSA-N 0 0 454.636 4.563 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)[C@@H]1CCCOC1 ZINC001462426102 1068072139 /nfs/dbraw/zinc/07/21/39/1068072139.db2.gz ODNGDXJXIOFCHF-UZLBHIALSA-N 0 0 454.368 4.994 20 0 JJADRN C[C@]12CCN(Cc3cccc(F)c3Br)C[C@H]1C2(Br)Br ZINC001462429700 1068073237 /nfs/dbraw/zinc/07/32/37/1068073237.db2.gz PUSYNLMYIBHPNH-YPMHNXCESA-N 0 0 455.991 4.916 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c(Cl)c1 ZINC001462436165 1068073475 /nfs/dbraw/zinc/07/34/75/1068073475.db2.gz FHILNNIIOVDMPC-HFZDXXHNSA-N 0 0 457.014 4.699 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCCCc2ccc(Br)cc21 ZINC001462437209 1068073866 /nfs/dbraw/zinc/07/38/66/1068073866.db2.gz OGIIZYONBNFIRO-GOSISDBHSA-N 0 0 451.158 4.885 20 0 JJADRN O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001462438509 1068074106 /nfs/dbraw/zinc/07/41/06/1068074106.db2.gz KIDBQBXVYJZXMP-QGZVFWFLSA-N 0 0 455.404 4.692 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439695 1068074787 /nfs/dbraw/zinc/07/47/87/1068074787.db2.gz JETTWMXSTVQGAX-KSFYIVLOSA-N 0 0 452.904 4.864 20 0 JJADRN Cc1cc(OCCCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)ccc1Cl ZINC001462443765 1068075685 /nfs/dbraw/zinc/07/56/85/1068075685.db2.gz OHDUAMWPEYIKIA-QFQXNSOFSA-N 0 0 457.014 4.699 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001462451047 1068077261 /nfs/dbraw/zinc/07/72/61/1068077261.db2.gz IMOXDRQDAUJYOC-INIZCTEOSA-N 0 0 455.805 4.518 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001462451633 1068077584 /nfs/dbraw/zinc/07/75/84/1068077584.db2.gz LONSAZBYHDQUIS-VWLOTQADSA-N 0 0 452.913 4.688 20 0 JJADRN CC(=O)N(c1nc(CN[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462456074 1068078455 /nfs/dbraw/zinc/07/84/55/1068078455.db2.gz MNKPCTQVMSOIKU-XMMPIXPASA-N 0 0 458.628 4.934 20 0 JJADRN CC(=O)N(c1nc(CN[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462456069 1068078483 /nfs/dbraw/zinc/07/84/83/1068078483.db2.gz MNKPCTQVMSOIKU-DEOSSOPVSA-N 0 0 458.628 4.934 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)Cc3csc(-c4cccc(C)c4)n3)C2)nc1C ZINC001462460136 1068078951 /nfs/dbraw/zinc/07/89/51/1068078951.db2.gz BGBGUEKVXVPKSE-QGZVFWFLSA-N 0 0 455.605 4.619 20 0 JJADRN C[C@@]1(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)OCCc2ccccc21 ZINC001462462441 1068080040 /nfs/dbraw/zinc/08/00/40/1068080040.db2.gz BTIGSJFWOICZSE-QFIPXVFZSA-N 0 0 457.393 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NC[C@]2(C)OCCc3ccccc32)CC1 ZINC001462471245 1068081446 /nfs/dbraw/zinc/08/14/46/1068081446.db2.gz RCCUNBMUDRWARD-NVQXNPDNSA-N 0 0 456.627 4.798 20 0 JJADRN CCOC(=O)[C@H]1CN(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCC1(F)F ZINC001462477120 1068081735 /nfs/dbraw/zinc/08/17/35/1068081735.db2.gz ICTPFUFUNMHSOG-QGZVFWFLSA-N 0 0 457.930 4.501 20 0 JJADRN COC(=O)C1CCC(Nc2cc(Br)cc(I)c2C)CC1 ZINC001462479766 1068082601 /nfs/dbraw/zinc/08/26/01/1068082601.db2.gz OGWWEWVBLKFNHY-UHFFFAOYSA-N 0 0 452.130 4.506 20 0 JJADRN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 ZINC001462483829 1068082919 /nfs/dbraw/zinc/08/29/19/1068082919.db2.gz ULSOFRBVFBYLKY-ROUUACIJSA-N 0 0 455.986 4.832 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3cc(-c4ccc(CC)cc4)on3)CC2)n1 ZINC001462494795 1068084771 /nfs/dbraw/zinc/08/47/71/1068084771.db2.gz GKMICTCZOQOWQG-UHFFFAOYSA-N 0 0 453.564 4.632 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)nc1C ZINC001462494863 1068084908 /nfs/dbraw/zinc/08/49/08/1068084908.db2.gz GSXUXCFSKIBSPU-OAQYLSRUSA-N 0 0 456.608 4.504 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3oc(C4CC4)nc3C(F)F)CC2)nc1C ZINC001462496872 1068085121 /nfs/dbraw/zinc/08/51/21/1068085121.db2.gz OFUKCEMEXFNSSH-UHFFFAOYSA-N 0 0 453.511 4.526 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC001462498082 1068085793 /nfs/dbraw/zinc/08/57/93/1068085793.db2.gz VJHOAACNLFZUDC-JOCHJYFZSA-N 0 0 457.489 4.663 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC001462499388 1068086451 /nfs/dbraw/zinc/08/64/51/1068086451.db2.gz DRVDGGYCRZQTOX-FUHWJXTLSA-N 0 0 457.398 4.790 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COc2c(C)cccc2C)cc1 ZINC001462501189 1068086803 /nfs/dbraw/zinc/08/68/03/1068086803.db2.gz OTAUTGDAQNBRBZ-JOCHJYFZSA-N 0 0 454.567 4.511 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3F)CC2)n1 ZINC001462507091 1068087708 /nfs/dbraw/zinc/08/77/08/1068087708.db2.gz UGXZFUPGSQFUTM-UHFFFAOYSA-N 0 0 452.979 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(Br)cc2F)C2(CCC2)CC1 ZINC001462509102 1068087758 /nfs/dbraw/zinc/08/77/58/1068087758.db2.gz CJUSIVRBCXIZBG-UHFFFAOYSA-N 0 0 459.331 4.733 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)c1cnn2cccc(Br)c12 ZINC001462511169 1068088143 /nfs/dbraw/zinc/08/81/43/1068088143.db2.gz QAHPSLLAEGGTAL-UHFFFAOYSA-N 0 0 459.141 4.943 20 0 JJADRN CO[C@@H]1CCn2cc(C(=O)N(C)Cc3cc(F)ccc3Oc3ccc(SC)cc3)nc2C1 ZINC001462511034 1068088160 /nfs/dbraw/zinc/08/81/60/1068088160.db2.gz CPNKNFWVWWHOME-LJQANCHMSA-N 0 0 455.555 4.770 20 0 JJADRN COC(=O)c1cnc(CC2CCN(C(=O)/C=C(/C)c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001462511318 1068088225 /nfs/dbraw/zinc/08/82/25/1068088225.db2.gz CZZMCBIPSFRIGB-KAMYIIQDSA-N 0 0 452.498 4.833 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COc2cc(C)ccc2C)c1 ZINC001462512487 1068088995 /nfs/dbraw/zinc/08/89/95/1068088995.db2.gz AVTIOYQLYYOZFO-JOCHJYFZSA-N 0 0 454.567 4.511 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2CCCc3sccc32)c1 ZINC001462519269 1068089867 /nfs/dbraw/zinc/08/98/67/1068089867.db2.gz YJAVYTBDUBDGNO-RTWAWAEBSA-N 0 0 456.608 4.997 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC001462519582 1068090406 /nfs/dbraw/zinc/09/04/06/1068090406.db2.gz VTGQEVPKQZRHIE-UHFFFAOYSA-N 0 0 458.917 4.969 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001546132245 1068091786 /nfs/dbraw/zinc/09/17/86/1068091786.db2.gz AYQAGEWLZPAHJC-UHFFFAOYSA-N 0 0 450.414 4.924 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546132266 1068092713 /nfs/dbraw/zinc/09/27/13/1068092713.db2.gz BNZDYTRWWDJXIA-QGZVFWFLSA-N 0 0 475.037 4.925 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462531351 1068092839 /nfs/dbraw/zinc/09/28/39/1068092839.db2.gz IVHDPGUWWSQMTI-YADARESESA-N 0 0 458.961 4.980 20 0 JJADRN O=C(NC[C@H]1CCC2(CCOCC2)CO1)C1(c2cccc(Br)c2)CCCCC1 ZINC001462536133 1068093460 /nfs/dbraw/zinc/09/34/60/1068093460.db2.gz PIEFTQNRAZJEIX-HXUWFJFHSA-N 0 0 450.417 4.743 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCN(C(C)=O)CC2)CCC1 ZINC001546132278 1068093537 /nfs/dbraw/zinc/09/35/37/1068093537.db2.gz CBGLYXJQEANPFG-UHFFFAOYSA-N 0 0 450.414 4.891 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)sc2c1 ZINC001462542345 1068094757 /nfs/dbraw/zinc/09/47/57/1068094757.db2.gz CQRIJFWHVFKLHU-UHFFFAOYSA-N 0 0 453.564 4.843 20 0 JJADRN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001462539497 1068094812 /nfs/dbraw/zinc/09/48/12/1068094812.db2.gz PHQGYOUPDJASCB-UHFFFAOYSA-N 0 0 457.427 4.802 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001462545958 1068095682 /nfs/dbraw/zinc/09/56/82/1068095682.db2.gz RPOWAXIAUHWLHR-UHFFFAOYSA-N 0 0 457.935 4.661 20 0 JJADRN CCC1(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001546132374 1068096368 /nfs/dbraw/zinc/09/63/68/1068096368.db2.gz GMDKABKFTJCHDN-UHFFFAOYSA-N 0 0 455.603 4.965 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCCC1 ZINC001546132395 1068097256 /nfs/dbraw/zinc/09/72/56/1068097256.db2.gz HKPKZZFKICKYGO-UHFFFAOYSA-N 0 0 451.036 4.582 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)cc2)nc1 ZINC001462554387 1068097427 /nfs/dbraw/zinc/09/74/27/1068097427.db2.gz OPMGBKOUKCHMGZ-UHFFFAOYSA-N 0 0 453.461 4.712 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C(=O)CCCc1ccc(C)s1)C(C)C ZINC001462556780 1068097967 /nfs/dbraw/zinc/09/79/67/1068097967.db2.gz WKMCGBIEAJEVRG-INIZCTEOSA-N 0 0 450.626 4.800 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCC1 ZINC001546132419 1068097982 /nfs/dbraw/zinc/09/79/82/1068097982.db2.gz IBAKVHPPGRSITP-KRWDZBQOSA-N 0 0 469.026 4.721 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC[C@@H](C(F)(F)F)O1 ZINC001462573998 1068100962 /nfs/dbraw/zinc/10/09/62/1068100962.db2.gz YMSCLPOTKMHNJW-PXAZEXFGSA-N 0 0 459.262 4.818 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H]2CCOC2)CCC1 ZINC001546132573 1068101935 /nfs/dbraw/zinc/10/19/35/1068101935.db2.gz NJUFUTULPZTFRN-HNNXBMFYSA-N 0 0 451.384 4.900 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC001462574662 1068101938 /nfs/dbraw/zinc/10/19/38/1068101938.db2.gz QGNZJQPRQHVTIM-ZAAXVRCTSA-N 0 0 453.535 4.726 20 0 JJADRN COc1cc(CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc(C(F)(F)F)c1 ZINC001462576331 1068102342 /nfs/dbraw/zinc/10/23/42/1068102342.db2.gz JZUZEKWDWNFIMK-UHFFFAOYSA-N 0 0 450.436 4.753 20 0 JJADRN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CNc2ccc3c(c2)C=CC2(CCC2)O3)cnn1C ZINC001462576744 1068102448 /nfs/dbraw/zinc/10/24/48/1068102448.db2.gz FZUNRBGQNRVJFJ-IBGZPJMESA-N 0 0 452.599 4.852 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC001462578363 1068103185 /nfs/dbraw/zinc/10/31/85/1068103185.db2.gz GSPIQEQGYAWZNW-XLIONFOSSA-N 0 0 450.297 4.527 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462584884 1068104547 /nfs/dbraw/zinc/10/45/47/1068104547.db2.gz URONWAPGDPZTOV-KXBFYZLASA-N 0 0 452.521 4.699 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2cccnc2Sc2ccc(C)cc2C)C[C@H]1C(F)(F)F ZINC001462590183 1068105711 /nfs/dbraw/zinc/10/57/11/1068105711.db2.gz QUJRMHDELINUFA-IAGOWNOFSA-N 0 0 452.498 4.663 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CN2Cc3cc(Br)ccc3OC3(CCC3)C2)CC1 ZINC001462591475 1068107099 /nfs/dbraw/zinc/10/70/99/1068107099.db2.gz OCORTGGCTGNUDE-UHFFFAOYSA-N 0 0 451.405 4.871 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(C)c(Br)c2)c2cnn(Cc3cccs3)c2n1 ZINC001462596766 1068108366 /nfs/dbraw/zinc/10/83/66/1068108366.db2.gz XSWAVMMKZLXPEM-UHFFFAOYSA-N 0 0 455.381 4.850 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(C)c(Cl)c1Cl ZINC001462599466 1068108861 /nfs/dbraw/zinc/10/88/61/1068108861.db2.gz RWCRUYGGEGKPMJ-CQSZACIVSA-N 0 0 450.240 4.715 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCC3C[C@H]4CC[C@@H](C3)S4(=O)=O)cc2)cc1 ZINC001462600228 1068109614 /nfs/dbraw/zinc/10/96/14/1068109614.db2.gz CHFMBUZVHXFGCH-LLTGHQJGSA-N 0 0 455.620 4.649 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)Cc2ccccc21 ZINC001462604366 1068110253 /nfs/dbraw/zinc/11/02/53/1068110253.db2.gz HIYDFAPFDBGRFE-QGZVFWFLSA-N 0 0 454.979 4.925 20 0 JJADRN C[C@@H](NC(=O)c1c(F)cccc1I)c1cccc(OC(F)(F)F)c1 ZINC001462608688 1068111535 /nfs/dbraw/zinc/11/15/35/1068111535.db2.gz GDFZGGCDTCPKQD-SECBINFHSA-N 0 0 453.173 4.820 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC001462611513 1068111554 /nfs/dbraw/zinc/11/15/54/1068111554.db2.gz PLDNLSUEUSNKPX-VIFPVBQESA-N 0 0 453.173 4.820 20 0 JJADRN C[C@@H]1CN(Cc2cccc(F)c2Br)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001462612698 1068112277 /nfs/dbraw/zinc/11/22/77/1068112277.db2.gz NJWKWTPXKDSYSZ-OAHLLOKOSA-N 0 0 457.384 4.579 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC001462613631 1068112306 /nfs/dbraw/zinc/11/23/06/1068112306.db2.gz YASRVZMZYSMXKF-QWHCGFSZSA-N 0 0 451.470 4.733 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CN1CCc2cc(F)c(Br)cc2C1)CC(F)(F)F ZINC001462616702 1068112852 /nfs/dbraw/zinc/11/28/52/1068112852.db2.gz XQBWSLIJPUDDGL-ZDUSSCGKSA-N 0 0 455.290 4.792 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1Br ZINC001462622323 1068115044 /nfs/dbraw/zinc/11/50/44/1068115044.db2.gz CDWOVGNQBNYJMM-PJIJBLCYSA-N 0 0 475.399 4.615 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)Cc3noc4ccc(Br)cc34)s2)c1 ZINC001462624762 1068115507 /nfs/dbraw/zinc/11/55/07/1068115507.db2.gz CXSPEHPFIJEJFU-UHFFFAOYSA-N 0 0 458.337 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC001462624049 1068115546 /nfs/dbraw/zinc/11/55/46/1068115546.db2.gz UKCRVTFESUBENN-LJQANCHMSA-N 0 0 457.594 4.656 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)N[C@H]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001462625634 1068115809 /nfs/dbraw/zinc/11/58/09/1068115809.db2.gz DUHAIXVIGALKKN-GGAORHGYSA-N 0 0 456.627 4.876 20 0 JJADRN Cc1ccc(C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001462626928 1068116212 /nfs/dbraw/zinc/11/62/12/1068116212.db2.gz LSDMJZHKELNHCD-UHFFFAOYSA-N 0 0 457.571 4.997 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1N1CCCC1 ZINC001462628616 1068116841 /nfs/dbraw/zinc/11/68/41/1068116841.db2.gz LQJOLGMYOLMKOS-UHFFFAOYSA-N 0 0 450.004 4.578 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629246 1068117552 /nfs/dbraw/zinc/11/75/52/1068117552.db2.gz NRJANWASIDYNIM-SANMLTNESA-N 0 0 456.583 4.648 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCC3(c4ccc(Br)cc4)CC3)CCC2=O)cc1C ZINC001462631503 1068118367 /nfs/dbraw/zinc/11/83/67/1068118367.db2.gz ADEVKCNYKXHVSW-GOSISDBHSA-N 0 0 455.396 4.657 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001462636478 1068120203 /nfs/dbraw/zinc/12/02/03/1068120203.db2.gz VJVNISYXIFOVGD-AVRDEDQJSA-N 0 0 458.599 4.799 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001462640443 1068121524 /nfs/dbraw/zinc/12/15/24/1068121524.db2.gz HPRGXSNKOOMVDS-QGZVFWFLSA-N 0 0 459.930 4.784 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462643426 1068122338 /nfs/dbraw/zinc/12/23/38/1068122338.db2.gz HYTZPUNHPYVPSP-NZQKXSOJSA-N 0 0 452.457 4.569 20 0 JJADRN CC(=O)N(c1nc(CN[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462650710 1068123949 /nfs/dbraw/zinc/12/39/49/1068123949.db2.gz XGIRULVKOHAALJ-WGSAOQKQSA-N 0 0 458.628 4.837 20 0 JJADRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001462654926 1068125288 /nfs/dbraw/zinc/12/52/88/1068125288.db2.gz KYRAUHFPWPFCQB-GOEBONIOSA-N 0 0 459.262 4.866 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001462655332 1068125319 /nfs/dbraw/zinc/12/53/19/1068125319.db2.gz KYRAUHFPWPFCQB-HOCLYGCPSA-N 0 0 459.262 4.866 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)nnc1-c1ccccc1 ZINC001462655422 1068125651 /nfs/dbraw/zinc/12/56/51/1068125651.db2.gz LQVMBKOVWJLJIY-BHYGNILZSA-N 0 0 456.534 4.624 20 0 JJADRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001462655334 1068125919 /nfs/dbraw/zinc/12/59/19/1068125919.db2.gz KYRAUHFPWPFCQB-ZBFHGGJFSA-N 0 0 459.262 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NCC2(c3cccc(F)c3)CCC2)(C(F)(F)F)CC1 ZINC001462661033 1068126456 /nfs/dbraw/zinc/12/64/56/1068126456.db2.gz KYTFCXJWNDAPSX-UHFFFAOYSA-N 0 0 458.496 4.943 20 0 JJADRN O=S1(=O)CCC2(CC1)CN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)CCO2 ZINC001462665591 1068127113 /nfs/dbraw/zinc/12/71/13/1068127113.db2.gz JYJODWFSXCFIRN-UHFFFAOYSA-N 0 0 456.391 4.565 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462666000 1068127204 /nfs/dbraw/zinc/12/72/04/1068127204.db2.gz ZRXMVVNBMHTDNH-CJNGLKHVSA-N 0 0 452.502 4.729 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1Cl)c1cccc(C(F)(F)F)c1 ZINC001462669895 1068127916 /nfs/dbraw/zinc/12/79/16/1068127916.db2.gz OOHKHQLWUWEWAH-KRWDZBQOSA-N 0 0 452.816 4.560 20 0 JJADRN Fc1cncc(Br)c1CN1CCC(OCc2ccc(Br)cc2)CC1 ZINC001462671307 1068128508 /nfs/dbraw/zinc/12/85/08/1068128508.db2.gz UQVKMKCVLGNZRI-UHFFFAOYSA-N 0 0 458.169 4.927 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)c1cc(Br)ccc1Cl)O2 ZINC001462677241 1068129166 /nfs/dbraw/zinc/12/91/66/1068129166.db2.gz OEULLSAOYDQQKT-HHGQXBFMSA-N 0 0 458.780 4.502 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462677933 1068129300 /nfs/dbraw/zinc/12/93/00/1068129300.db2.gz PDKCKJYFQSSGFZ-UHVVROFMSA-N 0 0 458.382 4.546 20 0 JJADRN C/C(=C/C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1C(F)(F)F ZINC001462678738 1068129826 /nfs/dbraw/zinc/12/98/26/1068129826.db2.gz QCKOQBWGVBPQKR-LMEBEJQYSA-N 0 0 453.501 4.894 20 0 JJADRN CCn1c(NCc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)nc2cc(F)ccc21 ZINC001462679636 1068129916 /nfs/dbraw/zinc/12/99/16/1068129916.db2.gz CPDIIAKTLJSXHO-UHFFFAOYSA-N 0 0 453.470 4.775 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC001462691829 1068132873 /nfs/dbraw/zinc/13/28/73/1068132873.db2.gz ZUYXIJYTESQIPH-UHFFFAOYSA-N 0 0 456.336 4.975 20 0 JJADRN COc1ccc2ccccc2c1CCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC001462691715 1068132902 /nfs/dbraw/zinc/13/29/02/1068132902.db2.gz HOMVXBHENQRVSU-UHFFFAOYSA-N 0 0 456.336 4.551 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)Cc3cccc(Br)c3C)ccc12 ZINC001462693871 1068133399 /nfs/dbraw/zinc/13/33/99/1068133399.db2.gz LWQBCZXJXZWHOK-UHFFFAOYSA-N 0 0 451.338 4.725 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N(C)Cc1ccc(Br)s1 ZINC001462696685 1068134701 /nfs/dbraw/zinc/13/47/01/1068134701.db2.gz RECNPVWQARVPQC-UHFFFAOYSA-N 0 0 453.221 4.543 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2OC)c1 ZINC001462698343 1068135198 /nfs/dbraw/zinc/13/51/98/1068135198.db2.gz CVKKYRCMAKDAGF-UHFFFAOYSA-N 0 0 451.997 4.948 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 ZINC001462699647 1068135262 /nfs/dbraw/zinc/13/52/62/1068135262.db2.gz SBAWKRPJZHTXPZ-UHFFFAOYSA-N 0 0 451.405 4.644 20 0 JJADRN CCS(=O)(=O)c1ccccc1CCNC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001462699241 1068135275 /nfs/dbraw/zinc/13/52/75/1068135275.db2.gz IDCQPOKVQNBWSC-UHFFFAOYSA-N 0 0 450.585 4.729 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2OC)cc1 ZINC001462701509 1068135663 /nfs/dbraw/zinc/13/56/63/1068135663.db2.gz QUCCOZDYYQJOJV-UHFFFAOYSA-N 0 0 459.589 4.715 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC001462701881 1068135837 /nfs/dbraw/zinc/13/58/37/1068135837.db2.gz AVSFAORUCPCSEH-UHFFFAOYSA-N 0 0 456.402 4.585 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)Oc1ccc2cc(Br)ccc2c1 ZINC001462702845 1068136433 /nfs/dbraw/zinc/13/64/33/1068136433.db2.gz ZKHKJIURBCRNRP-HOTGVXAUSA-N 0 0 453.276 4.811 20 0 JJADRN CO[C@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1Br ZINC001462703905 1068136585 /nfs/dbraw/zinc/13/65/85/1068136585.db2.gz IAIIHGLOTCXPFJ-WBVHZDCISA-N 0 0 455.146 4.539 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc2c1C ZINC001462708106 1068138230 /nfs/dbraw/zinc/13/82/30/1068138230.db2.gz NWSQRCSKQKJCFJ-ZDUSSCGKSA-N 0 0 455.454 4.976 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c(F)cc1Cl ZINC001462710842 1068138945 /nfs/dbraw/zinc/13/89/45/1068138945.db2.gz YNUOEQPGYOTDSO-ZETCQYMHSA-N 0 0 458.697 4.751 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2c(cccc2Br)[nH]1 ZINC001462711126 1068138978 /nfs/dbraw/zinc/13/89/78/1068138978.db2.gz PMPQMRQKAHFCSS-QGZVFWFLSA-N 0 0 459.344 4.605 20 0 JJADRN COc1ccc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc1Br ZINC001462711620 1068139419 /nfs/dbraw/zinc/13/94/19/1068139419.db2.gz WPEQBTVTWYLUPR-VDGAXYAQSA-N 0 0 458.352 4.584 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N1C[C@@H](C)Cc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462713903 1068140097 /nfs/dbraw/zinc/14/00/97/1068140097.db2.gz ZLJSNBQHERZVRG-ZDUSSCGKSA-N 0 0 459.917 4.920 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC001462717747 1068140622 /nfs/dbraw/zinc/14/06/22/1068140622.db2.gz FZGDCTPNLGTFFJ-GOSISDBHSA-N 0 0 456.470 4.657 20 0 JJADRN COc1cc(C)c(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc1C(C)C ZINC001462718875 1068141246 /nfs/dbraw/zinc/14/12/46/1068141246.db2.gz OUHMSRMOTZIWNK-UHFFFAOYSA-N 0 0 453.560 4.825 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001462718013 1068141304 /nfs/dbraw/zinc/14/13/04/1068141304.db2.gz GKBXFXLMGWJGOH-KXBFYZLASA-N 0 0 457.523 4.705 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)ccc1Br)c1ccc(CN2CCCC2=O)cc1 ZINC001462721163 1068141791 /nfs/dbraw/zinc/14/17/91/1068141791.db2.gz DSOGDIKBJKPFIA-UHFFFAOYSA-N 0 0 455.274 4.520 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(Cl)cc1NC(C)=O ZINC001462722271 1068142364 /nfs/dbraw/zinc/14/23/64/1068142364.db2.gz MTMIEEIUTFJBRM-UHFFFAOYSA-N 0 0 454.866 4.800 20 0 JJADRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462723406 1068142832 /nfs/dbraw/zinc/14/28/32/1068142832.db2.gz OZYMETJTOCVGEY-NJDAHSKKSA-N 0 0 456.627 4.898 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)ccc1OC(F)F ZINC001462724873 1068143393 /nfs/dbraw/zinc/14/33/93/1068143393.db2.gz IEWVBJZZDCAIEG-UHFFFAOYSA-N 0 0 456.898 4.627 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001462724415 1068143477 /nfs/dbraw/zinc/14/34/77/1068143477.db2.gz RIRRMQLPCLAPHB-NLFFAJNJSA-N 0 0 454.636 4.820 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@H](C)[C@@H]3c3ccccc3)n2)cc(Cl)c1OC ZINC001462726278 1068144736 /nfs/dbraw/zinc/14/47/36/1068144736.db2.gz YRGWYYYPXSHXBJ-OYHNWAKOSA-N 0 0 455.942 4.950 20 0 JJADRN O=Cc1cc(Br)ccc1OS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001462728116 1068145246 /nfs/dbraw/zinc/14/52/46/1068145246.db2.gz BSOZKLKNALQNHX-UHFFFAOYSA-N 0 0 459.745 4.862 20 0 JJADRN Cc1nn2cc(Br)cnc2c1S(=O)(=O)Oc1cc(C)c(Cl)cc1C(C)C ZINC001462727816 1068145352 /nfs/dbraw/zinc/14/53/52/1068145352.db2.gz BZJUMERCLIYJJL-UHFFFAOYSA-N 0 0 458.765 4.653 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c1Br ZINC001462728312 1068145878 /nfs/dbraw/zinc/14/58/78/1068145878.db2.gz FNBJRPFPLJAEDY-UHFFFAOYSA-N 0 0 453.221 4.711 20 0 JJADRN Cc1nn(C)c(Cl)c1S(=O)(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 ZINC001462730198 1068146323 /nfs/dbraw/zinc/14/63/23/1068146323.db2.gz QHQBIOXQAXFXNM-ZDUSSCGKSA-N 0 0 458.436 4.919 20 0 JJADRN CC(C)c1c(C(=O)NCc2nc(Cc3ccccc3F)no2)cnn1-c1ccccc1Cl ZINC001462730482 1068146467 /nfs/dbraw/zinc/14/64/67/1068146467.db2.gz MUYISDONLDHXJJ-UHFFFAOYSA-N 0 0 453.905 4.692 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001462733167 1068147228 /nfs/dbraw/zinc/14/72/28/1068147228.db2.gz OQKOZVIHZVGIEP-QGZVFWFLSA-N 0 0 457.459 4.571 20 0 JJADRN O=S(=O)(Cc1ccc(F)c(Cl)c1)Oc1ccc(Br)cc1Br ZINC001462734862 1068148389 /nfs/dbraw/zinc/14/83/89/1068148389.db2.gz PQANUXPUZMANMS-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(Br)c1 ZINC001462737467 1068148928 /nfs/dbraw/zinc/14/89/28/1068148928.db2.gz RSIQXEGYNHMVER-SFHVURJKSA-N 0 0 454.386 4.692 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NCCSc3ccc(Cl)cc3)cc21 ZINC001462738549 1068149478 /nfs/dbraw/zinc/14/94/78/1068149478.db2.gz IRQLSVWJJRPGGX-UHFFFAOYSA-N 0 0 459.818 4.665 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001462738757 1068149567 /nfs/dbraw/zinc/14/95/67/1068149567.db2.gz YGXSDASMOXBLBX-UHFFFAOYSA-N 0 0 453.299 4.635 20 0 JJADRN O=S(=O)(NCCc1nc2ccccc2s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001462739755 1068150086 /nfs/dbraw/zinc/15/00/86/1068150086.db2.gz KTAQCCWFONABMK-UHFFFAOYSA-N 0 0 454.417 4.855 20 0 JJADRN CCCCOc1ccc(C(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)cc1OCC ZINC001462740638 1068150602 /nfs/dbraw/zinc/15/06/02/1068150602.db2.gz SYSQBGVMKXASAP-UHFFFAOYSA-N 0 0 457.571 4.961 20 0 JJADRN COc1ccc(C[C@H](NS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)c2ccc(OC)cc2)cc1 ZINC001462740357 1068150654 /nfs/dbraw/zinc/15/06/54/1068150654.db2.gz BMBUGHGORSWZRP-GCJKJVERSA-N 0 0 453.551 4.733 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c2cccc(F)c2)cc1 ZINC001462742543 1068151278 /nfs/dbraw/zinc/15/12/78/1068151278.db2.gz HSSMYUGXIQTIAV-HSZRJFAPSA-N 0 0 459.514 4.690 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001462747926 1068153895 /nfs/dbraw/zinc/15/38/95/1068153895.db2.gz CEUIJBNSHOSCNG-GHTZIAJQSA-N 0 0 468.313 4.827 20 0 JJADRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c(C(C)C)c1 ZINC001462749858 1068154392 /nfs/dbraw/zinc/15/43/92/1068154392.db2.gz AFCBILCKARCDJI-NRFANRHFSA-N 0 0 454.702 4.987 20 0 JJADRN O=S(=O)(Cc1cccc(F)c1Br)NCCCCOc1ccc(Cl)cc1 ZINC001462750599 1068155157 /nfs/dbraw/zinc/15/51/57/1068155157.db2.gz FJABIFNHCMOPGJ-UHFFFAOYSA-N 0 0 450.757 4.520 20 0 JJADRN CCN(C(=O)Cc1cccc(OCc2ccccc2C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462752850 1068155794 /nfs/dbraw/zinc/15/57/94/1068155794.db2.gz CUNZTQRODHSHTC-HSZRJFAPSA-N 0 0 452.595 4.974 20 0 JJADRN COc1ccc(F)cc1CCNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC001462754574 1068156428 /nfs/dbraw/zinc/15/64/28/1068156428.db2.gz KQUIVAHERSAPGL-UHFFFAOYSA-N 0 0 458.599 4.595 20 0 JJADRN O=C(NCc1nc2c(s1)CCC2)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001462754873 1068156439 /nfs/dbraw/zinc/15/64/39/1068156439.db2.gz FWMVPDZHTCWUDO-UHFFFAOYSA-N 0 0 456.365 4.577 20 0 JJADRN O=C(OCc1ccc(Br)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001462755151 1068156466 /nfs/dbraw/zinc/15/64/66/1068156466.db2.gz JRLJBFPZESGRIS-UHFFFAOYSA-N 0 0 457.290 4.922 20 0 JJADRN O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001462755697 1068156540 /nfs/dbraw/zinc/15/65/40/1068156540.db2.gz RAGJSZSLFDBPDO-UHFFFAOYSA-N 0 0 450.988 4.714 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCc2ccc3ncccc3c2)[C@H]1c1ccc(OC)cc1 ZINC001462761334 1068158972 /nfs/dbraw/zinc/15/89/72/1068158972.db2.gz DPJJKSIAWPDIMM-SHQCIBLASA-N 0 0 459.590 4.682 20 0 JJADRN C[C@@H](c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1)C(F)(F)F ZINC001462763142 1068159638 /nfs/dbraw/zinc/15/96/38/1068159638.db2.gz HYBZYKZRLYJLCD-XJKSGUPXSA-N 0 0 450.448 4.975 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC001462767091 1068160669 /nfs/dbraw/zinc/16/06/69/1068160669.db2.gz RAQUSBXJQMGKNE-UHFFFAOYSA-N 0 0 452.620 4.771 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462769456 1068161293 /nfs/dbraw/zinc/16/12/93/1068161293.db2.gz KHQRBSUAOUPNMH-CRAIPNDOSA-N 0 0 478.996 4.655 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1C(C)C ZINC001462768670 1068161303 /nfs/dbraw/zinc/16/13/03/1068161303.db2.gz FSAMJXUQQXRFTM-RTBURBONSA-N 0 0 450.501 4.620 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1Cl ZINC001462768574 1068161320 /nfs/dbraw/zinc/16/13/20/1068161320.db2.gz UBMKSARITXXFEH-CYBMUJFWSA-N 0 0 450.771 4.888 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462769758 1068161886 /nfs/dbraw/zinc/16/18/86/1068161886.db2.gz MKYBQDVYNFNYER-IAGOWNOFSA-N 0 0 456.587 4.657 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)cc2)c1 ZINC001462769523 1068161923 /nfs/dbraw/zinc/16/19/23/1068161923.db2.gz KPYNDGZRKMGGFI-FGZHOGPDSA-N 0 0 455.480 4.975 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769657 1068161942 /nfs/dbraw/zinc/16/19/42/1068161942.db2.gz KXKOZEQWFKTOEB-NHCUHLMSSA-N 0 0 458.480 4.665 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccccc1OC(F)F ZINC001462770254 1068162500 /nfs/dbraw/zinc/16/25/00/1068162500.db2.gz APQBUWUSWLHEKZ-SNVBAGLBSA-N 0 0 454.720 4.885 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001462771825 1068162969 /nfs/dbraw/zinc/16/29/69/1068162969.db2.gz ZBOBCQYHMVTJEX-OAHLLOKOSA-N 0 0 451.189 4.750 20 0 JJADRN COCCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462772268 1068163045 /nfs/dbraw/zinc/16/30/45/1068163045.db2.gz XVAFQCNVWVYZEJ-UHFFFAOYSA-N 0 0 459.214 4.655 20 0 JJADRN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cc(I)c(Cl)cc1Cl ZINC001462774230 1068163652 /nfs/dbraw/zinc/16/36/52/1068163652.db2.gz DSTPUYCRTBNBCP-SNVBAGLBSA-N 0 0 454.135 4.677 20 0 JJADRN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001462773200 1068163666 /nfs/dbraw/zinc/16/36/66/1068163666.db2.gz WJMRHHPRULOKKK-UHFFFAOYSA-N 0 0 451.778 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NC[C@@H]2CCC3(CCC3)CO2)CC1 ZINC001462775641 1068164381 /nfs/dbraw/zinc/16/43/81/1068164381.db2.gz HFFUHVANZMVVIN-QFIPXVFZSA-N 0 0 456.627 4.955 20 0 JJADRN O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001462777759 1068165236 /nfs/dbraw/zinc/16/52/36/1068165236.db2.gz MHKVNAYKVLGPNM-HXUWFJFHSA-N 0 0 457.368 4.781 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1OCC ZINC001462777343 1068165333 /nfs/dbraw/zinc/16/53/33/1068165333.db2.gz YXGIWLSHQDXTAY-RTBURBONSA-N 0 0 462.631 4.771 20 0 JJADRN CC(C)(NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1F ZINC001462779333 1068165916 /nfs/dbraw/zinc/16/59/16/1068165916.db2.gz PRFOOKYFBIJXQH-UHFFFAOYSA-N 0 0 454.439 4.887 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001462790644 1068167952 /nfs/dbraw/zinc/16/79/52/1068167952.db2.gz DYCAPVRIGUUETN-GBXCKJPGSA-N 0 0 455.551 4.503 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC001462790667 1068168568 /nfs/dbraw/zinc/16/85/68/1068168568.db2.gz DYCAPVRIGUUETN-YKSBVNFPSA-N 0 0 455.551 4.503 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c(C)c1 ZINC001462791538 1068168586 /nfs/dbraw/zinc/16/85/86/1068168586.db2.gz DWCAKVWCBUQIBJ-UHFFFAOYSA-N 0 0 455.576 4.720 20 0 JJADRN O=C(NCc1cc(Br)ccc1Cl)C1=Cc2cc(Br)ccc2OC1 ZINC001462793435 1068169088 /nfs/dbraw/zinc/16/90/88/1068169088.db2.gz GPCUNKXKDUCRLT-UHFFFAOYSA-N 0 0 457.549 4.957 20 0 JJADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CCCC1 ZINC001462794415 1068169547 /nfs/dbraw/zinc/16/95/47/1068169547.db2.gz WABYYOYNPSLTMO-UHFFFAOYSA-N 0 0 450.514 4.650 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H](C(=O)OC)c1ccccc1OC(F)(F)F ZINC001462795485 1068170189 /nfs/dbraw/zinc/17/01/89/1068170189.db2.gz ULOVRIKQXHYUGO-KPPHNJMKSA-N 0 0 451.441 4.806 20 0 JJADRN CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC001462799840 1068171233 /nfs/dbraw/zinc/17/12/33/1068171233.db2.gz YRXTVKHBRHDMNT-UHFFFAOYSA-N 0 0 458.939 4.791 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)Cc1sc(SC(F)F)nc1C)CC2 ZINC001462802824 1068171799 /nfs/dbraw/zinc/17/17/99/1068171799.db2.gz CKRYZCWDQJCSJS-UHFFFAOYSA-N 0 0 454.564 4.790 20 0 JJADRN C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001462809540 1068172794 /nfs/dbraw/zinc/17/27/94/1068172794.db2.gz PVBMUPAOILWDLN-CYBMUJFWSA-N 0 0 454.317 4.883 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC2 ZINC001462807091 1068172824 /nfs/dbraw/zinc/17/28/24/1068172824.db2.gz NPVXOTKFINJRMD-ZIAGYGMSSA-N 0 0 457.436 4.811 20 0 JJADRN Cc1ccc(F)cc1C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001462810288 1068172938 /nfs/dbraw/zinc/17/29/38/1068172938.db2.gz XZLRGBPFYBEXIW-UHFFFAOYSA-N 0 0 457.299 4.827 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1)OCc1ccccc1 ZINC001462807858 1068172957 /nfs/dbraw/zinc/17/29/57/1068172957.db2.gz NGYVVUKTTJLUID-WTIAFYNJSA-N 0 0 477.026 4.902 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546134233 1068173310 /nfs/dbraw/zinc/17/33/10/1068173310.db2.gz QBIWDUQDZQWKEW-FQEVSTJZSA-N 0 0 469.630 4.980 20 0 JJADRN Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(Br)c3)CC2)c(C)c1 ZINC001462811489 1068173377 /nfs/dbraw/zinc/17/33/77/1068173377.db2.gz BRTPYYHGGOTVIM-UHFFFAOYSA-N 0 0 450.398 4.658 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c1 ZINC001462814508 1068174383 /nfs/dbraw/zinc/17/43/83/1068174383.db2.gz SUOMUATUORKMKG-WBVHZDCISA-N 0 0 456.951 4.927 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C)ccc1OCC(C)C ZINC001462819197 1068175699 /nfs/dbraw/zinc/17/56/99/1068175699.db2.gz VNNWRDBLSQPMNW-OAHLLOKOSA-N 0 0 456.402 4.840 20 0 JJADRN O=S(=O)(CC[C@H]1CCc2ccccc21)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001462821840 1068176801 /nfs/dbraw/zinc/17/68/01/1068176801.db2.gz GVVNGXATZOLGKG-GCJKJVERSA-N 0 0 451.007 4.656 20 0 JJADRN CN(C[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1Br)C(=O)OC(C)(C)C ZINC001462821499 1068176819 /nfs/dbraw/zinc/17/68/19/1068176819.db2.gz FQNOPGYHCJEWBW-INIZCTEOSA-N 0 0 457.384 4.769 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)sc2c1 ZINC001462822379 1068176840 /nfs/dbraw/zinc/17/68/40/1068176840.db2.gz GKMZDMUOOWMBLU-LSDHHAIUSA-N 0 0 458.502 4.828 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3c2cccc3F)C1 ZINC001462822239 1068177332 /nfs/dbraw/zinc/17/73/32/1068177332.db2.gz FAKYULGGYRJLRW-QVKFZJNVSA-N 0 0 459.359 4.553 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3c2cccc3F)C1 ZINC001462822241 1068177341 /nfs/dbraw/zinc/17/73/41/1068177341.db2.gz FAKYULGGYRJLRW-YCRPNKLZSA-N 0 0 459.359 4.553 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2ccc(Br)c(Cl)c2F)c1 ZINC001462827400 1068179555 /nfs/dbraw/zinc/17/95/55/1068179555.db2.gz WQGCUSMTXAREDY-UHFFFAOYSA-N 0 0 458.715 4.914 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC001462827384 1068179623 /nfs/dbraw/zinc/17/96/23/1068179623.db2.gz ZUXJLXFPGPXZKM-FQEVSTJZSA-N 0 0 450.329 4.665 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCC1 ZINC001546134366 1068179670 /nfs/dbraw/zinc/17/96/70/1068179670.db2.gz ULPYSNCWYITVBP-UHFFFAOYSA-N 0 0 468.646 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC001462828539 1068180146 /nfs/dbraw/zinc/18/01/46/1068180146.db2.gz WBOKJWHDQZNDIV-CABCVRRESA-N 0 0 454.411 4.552 20 0 JJADRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462828265 1068180187 /nfs/dbraw/zinc/18/01/87/1068180187.db2.gz AARCAYCHBQGVMF-INIZCTEOSA-N 0 0 455.584 4.764 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462828567 1068180221 /nfs/dbraw/zinc/18/02/21/1068180221.db2.gz WDJDWKHJYROAMP-IAGOWNOFSA-N 0 0 458.521 4.568 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C(=O)c1ccccc1OCC(N)=O ZINC001462829207 1068180889 /nfs/dbraw/zinc/18/08/89/1068180889.db2.gz DHUWJAVEEQGITE-UHFFFAOYSA-N 0 0 459.329 4.922 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3ccccc3OC(F)(F)F)cn2)c1 ZINC001462829752 1068180931 /nfs/dbraw/zinc/18/09/31/1068180931.db2.gz IEAYUYHOMVIVFZ-UHFFFAOYSA-N 0 0 452.454 4.868 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC001462830028 1068181382 /nfs/dbraw/zinc/18/13/82/1068181382.db2.gz KRTCSSUSSKQNBL-GHMZBOCLSA-N 0 0 450.158 4.870 20 0 JJADRN COc1ccc(F)cc1CS(=O)(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830432 1068181488 /nfs/dbraw/zinc/18/14/88/1068181488.db2.gz FSMYVGRCSUVWOD-INIZCTEOSA-N 0 0 457.527 4.659 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1Br ZINC001462832119 1068182605 /nfs/dbraw/zinc/18/26/05/1068182605.db2.gz ZTLGITFXNFOIQR-MRVPVSSYSA-N 0 0 457.148 4.943 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CCC(F)(F)F)CCOCC1 ZINC001546134440 1068183820 /nfs/dbraw/zinc/18/38/20/1068183820.db2.gz XDTIZZBAOJBAOL-UHFFFAOYSA-N 0 0 456.509 4.558 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)C2 ZINC001462837750 1068185091 /nfs/dbraw/zinc/18/50/91/1068185091.db2.gz CSKHRBUXONGICV-AWEZNQCLSA-N 0 0 457.889 4.689 20 0 JJADRN O=S(=O)(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc(Br)s1 ZINC001462843704 1068187426 /nfs/dbraw/zinc/18/74/26/1068187426.db2.gz JCQJSDLORCUTOY-HNNXBMFYSA-N 0 0 456.358 4.748 20 0 JJADRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001462845308 1068188080 /nfs/dbraw/zinc/18/80/80/1068188080.db2.gz CZWXCJZOGCQBTO-CYBMUJFWSA-N 0 0 458.349 4.537 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC001462846175 1068188756 /nfs/dbraw/zinc/18/87/56/1068188756.db2.gz AIKIZHLILJECDK-OAQYLSRUSA-N 0 0 450.000 4.786 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1 ZINC001462846636 1068188763 /nfs/dbraw/zinc/18/87/63/1068188763.db2.gz NSLXEKPBTODYGM-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)Cc1csc2ccc(Br)cc12 ZINC001462848166 1068189186 /nfs/dbraw/zinc/18/91/86/1068189186.db2.gz ZBPMHAJIFSHANJ-UKRRQHHQSA-N 0 0 467.429 4.826 20 0 JJADRN COC(=O)C1(c2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)cc2)CC1 ZINC001462851509 1068190486 /nfs/dbraw/zinc/19/04/86/1068190486.db2.gz GPOQEAYSXVRSFX-JOCHJYFZSA-N 0 0 455.963 4.613 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001462855767 1068192405 /nfs/dbraw/zinc/19/24/05/1068192405.db2.gz WKTBKDAMTWPQPP-HNNXBMFYSA-N 0 0 451.361 4.946 20 0 JJADRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)C1(C(F)(F)F)CC1 ZINC001462858371 1068193258 /nfs/dbraw/zinc/19/32/58/1068193258.db2.gz DWZHIPXKMVPTPB-UHFFFAOYSA-N 0 0 455.274 4.797 20 0 JJADRN CCCCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C)cc1OC ZINC001462857833 1068193330 /nfs/dbraw/zinc/19/33/30/1068193330.db2.gz MIIRSXZYANBCJY-OAHLLOKOSA-N 0 0 456.402 4.985 20 0 JJADRN CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1 ZINC001462859438 1068193412 /nfs/dbraw/zinc/19/34/12/1068193412.db2.gz VUBOWBQTVVHKQK-XMMPIXPASA-N 0 0 457.617 4.523 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1cc(F)cc(F)c1 ZINC001462866593 1068196149 /nfs/dbraw/zinc/19/61/49/1068196149.db2.gz CJASRMNDNYLWCL-IBGZPJMESA-N 0 0 456.283 4.934 20 0 JJADRN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)N1CCCCC1 ZINC001462866450 1068196204 /nfs/dbraw/zinc/19/62/04/1068196204.db2.gz AOXLTHAFRMMPIC-DEOSSOPVSA-N 0 0 458.624 4.522 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccc2cc(Br)cnc2n1)NC(=O)OC(C)(C)C ZINC001462866639 1068196784 /nfs/dbraw/zinc/19/67/84/1068196784.db2.gz RIRMZXLAESYUBE-OAHLLOKOSA-N 0 0 451.365 4.660 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N=[S@@](C)(=O)c2ccccc2Br)o1 ZINC001462869046 1068197223 /nfs/dbraw/zinc/19/72/23/1068197223.db2.gz GEZJWGDCEBJVLF-PBQNMRGSSA-N 0 0 454.342 4.694 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1Br ZINC001462869861 1068197385 /nfs/dbraw/zinc/19/73/85/1068197385.db2.gz LQSDBFDOJCOHBE-OAHLLOKOSA-N 0 0 456.402 4.545 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1ccccc1Br ZINC001462870787 1068197966 /nfs/dbraw/zinc/19/79/66/1068197966.db2.gz KBLRVEJMRBAVCH-VWLOTQADSA-N 0 0 458.790 4.706 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1cccc(OCc2ccccn2)c1 ZINC001462870167 1068197969 /nfs/dbraw/zinc/19/79/69/1068197969.db2.gz MQJNVFGVEMOXIK-INIZCTEOSA-N 0 0 453.951 4.902 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c2ccccc12 ZINC001462872224 1068198339 /nfs/dbraw/zinc/19/83/39/1068198339.db2.gz JOPOZMCIRUOWKX-UHFFFAOYSA-N 0 0 452.576 4.846 20 0 JJADRN CC(=O)N1CCCc2ccc(S(=O)(=O)N(Cc3ccc(Cl)c(Cl)c3)C(C)C)cc21 ZINC001462871743 1068198516 /nfs/dbraw/zinc/19/85/16/1068198516.db2.gz OIQQGVCIDXKHNI-UHFFFAOYSA-N 0 0 455.407 4.892 20 0 JJADRN Cc1c(C(=O)N=[S@@](C)(=O)c2ccccc2Br)cnn1-c1ccccc1Cl ZINC001462874777 1068199055 /nfs/dbraw/zinc/19/90/55/1068199055.db2.gz UTVPAERYERBGHB-SANMLTNESA-N 0 0 452.761 4.894 20 0 JJADRN COc1ccc(F)cc1CS(=O)(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001462874405 1068199101 /nfs/dbraw/zinc/19/91/01/1068199101.db2.gz SJROZLQJVCKJLG-KRWDZBQOSA-N 0 0 459.539 4.603 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 ZINC001462876307 1068199575 /nfs/dbraw/zinc/19/95/75/1068199575.db2.gz VAFUFAZBXBTRPN-FQEVSTJZSA-N 0 0 450.329 4.665 20 0 JJADRN O=S(=O)(c1cscc1Br)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001462875566 1068199583 /nfs/dbraw/zinc/19/95/83/1068199583.db2.gz ZIPKGVSCDJGURI-CYBMUJFWSA-N 0 0 451.205 4.799 20 0 JJADRN C[S@](=O)(=NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc(Br)c1 ZINC001462878993 1068200684 /nfs/dbraw/zinc/20/06/84/1068200684.db2.gz DXUCQTLPWTYMEG-AREMUKBSSA-N 0 0 453.358 4.938 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)C[C@H](C)COC2CCCC2)cc(C)c1OCC(F)(F)F ZINC001462880472 1068201284 /nfs/dbraw/zinc/20/12/84/1068201284.db2.gz SFFCLXDTMLATKD-OAHLLOKOSA-N 0 0 451.551 4.601 20 0 JJADRN C[S@](=O)(=NC(=O)c1cccc(OCc2cscn2)c1)c1cccc(Br)c1 ZINC001462885901 1068202659 /nfs/dbraw/zinc/20/26/59/1068202659.db2.gz WOOWHOXXUWXDLF-AREMUKBSSA-N 0 0 451.367 4.782 20 0 JJADRN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 ZINC001462884738 1068202797 /nfs/dbraw/zinc/20/27/97/1068202797.db2.gz BCXWIYZKYVFPPO-OAHLLOKOSA-N 0 0 454.386 4.624 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)OCc1ccccc1I ZINC001462888401 1068203887 /nfs/dbraw/zinc/20/38/87/1068203887.db2.gz DBBBETMRIZPQEX-UHFFFAOYSA-N 0 0 452.679 4.796 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462887848 1068204000 /nfs/dbraw/zinc/20/40/00/1068204000.db2.gz KZWBHEUOXFKKMJ-UHFFFAOYSA-N 0 0 459.340 4.639 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC001462891630 1068204939 /nfs/dbraw/zinc/20/49/39/1068204939.db2.gz ZMYRXRDPLULAFV-OLZOCXBDSA-N 0 0 458.805 4.726 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)cc1 ZINC001462891259 1068204992 /nfs/dbraw/zinc/20/49/92/1068204992.db2.gz RSRLHFSCSQXLTA-KRWDZBQOSA-N 0 0 453.564 4.774 20 0 JJADRN O=C(N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1nn2c(c1Br)CCC2 ZINC001462892208 1068205404 /nfs/dbraw/zinc/20/54/04/1068205404.db2.gz ZMPJYODJJDCTIU-ZDUSSCGKSA-N 0 0 457.077 4.932 20 0 JJADRN Cc1cnc(Br)c(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1 ZINC001462894034 1068206084 /nfs/dbraw/zinc/20/60/84/1068206084.db2.gz AZTHZGWGFDWVPU-UHFFFAOYSA-N 0 0 452.102 4.582 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H](C)c3sc(-c4ccccc4)nc3C)cc2F)c1 ZINC001462899197 1068208180 /nfs/dbraw/zinc/20/81/80/1068208180.db2.gz HPLDTNFLLJDFJH-INIZCTEOSA-N 0 0 456.568 4.791 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001462900297 1068208662 /nfs/dbraw/zinc/20/86/62/1068208662.db2.gz VWOOQJRCXAVISF-GFCCVEGCSA-N 0 0 452.292 4.571 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC001462901054 1068208690 /nfs/dbraw/zinc/20/86/90/1068208690.db2.gz XEOJAMNHZMYRKN-SNVBAGLBSA-N 0 0 456.255 4.569 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc(OCC(F)(F)F)cc1 ZINC001462900298 1068208733 /nfs/dbraw/zinc/20/87/33/1068208733.db2.gz VWOOQJRCXAVISF-LBPRGKRZSA-N 0 0 452.292 4.571 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)nc1C(F)(F)F ZINC001462902015 1068209181 /nfs/dbraw/zinc/20/91/81/1068209181.db2.gz IJDLYAUUPWJFAT-UHFFFAOYSA-N 0 0 455.414 4.563 20 0 JJADRN CCCCc1nc(-c2ccc(OS(=O)(=O)c3ccc(C)c(Br)c3)cc2)no1 ZINC001462904862 1068210364 /nfs/dbraw/zinc/21/03/64/1068210364.db2.gz BFVLAAFROAGOAV-UHFFFAOYSA-N 0 0 451.342 4.918 20 0 JJADRN CCN(CC)[C@H](C(=O)OCc1c(F)cc(C(=O)OC)cc1F)c1cccc(C(F)(F)F)c1 ZINC001462906117 1068211031 /nfs/dbraw/zinc/21/10/31/1068211031.db2.gz JHNAXQKNCLJDAZ-IBGZPJMESA-N 0 0 459.411 4.897 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)nc1C(F)(F)F ZINC001462907493 1068211094 /nfs/dbraw/zinc/21/10/94/1068211094.db2.gz XAUZUSWJAKBAIN-UHFFFAOYSA-N 0 0 450.385 4.903 20 0 JJADRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC001462910306 1068211540 /nfs/dbraw/zinc/21/15/40/1068211540.db2.gz WKNBZTIURDNNSD-CYBMUJFWSA-N 0 0 451.928 4.653 20 0 JJADRN CCCCc1nc(-c2ccc(OS(=O)(=O)c3ccc(Br)c(C)c3)cc2)no1 ZINC001462910165 1068211607 /nfs/dbraw/zinc/21/16/07/1068211607.db2.gz PRPORLVCHBASOI-UHFFFAOYSA-N 0 0 451.342 4.918 20 0 JJADRN COc1ccccc1C1(CNS(=O)(=O)Cc2ccc(Br)cc2C)CCCC1 ZINC001462909351 1068211713 /nfs/dbraw/zinc/21/17/13/1068211713.db2.gz HZNNCKMAHNAHTI-UHFFFAOYSA-N 0 0 452.414 4.698 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC001462914558 1068213170 /nfs/dbraw/zinc/21/31/70/1068213170.db2.gz DLFFYQOJVWAKEZ-UHFFFAOYSA-N 0 0 459.793 4.566 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ccc(Cl)nc2Cl)C1 ZINC001462916202 1068213251 /nfs/dbraw/zinc/21/32/51/1068213251.db2.gz FKHGKFHAQGRCCC-LBPRGKRZSA-N 0 0 454.329 4.871 20 0 JJADRN Cn1c2ccccc2nc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001462918209 1068213594 /nfs/dbraw/zinc/21/35/94/1068213594.db2.gz YUMRMNDAPRGYON-CQSZACIVSA-N 0 0 458.893 4.556 20 0 JJADRN Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)oc2c1C(=O)CCC2 ZINC001462917161 1068213820 /nfs/dbraw/zinc/21/38/20/1068213820.db2.gz LBKZHVFIWCWXML-HNNXBMFYSA-N 0 0 456.514 4.590 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)Cc1c(Cl)cccc1Cl ZINC001462922106 1068215384 /nfs/dbraw/zinc/21/53/84/1068215384.db2.gz OVGADGCMTJRWTJ-UHFFFAOYSA-N 0 0 453.185 4.894 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2cc(Br)ccc2C2=NCCO2)c1C ZINC001462921665 1068215506 /nfs/dbraw/zinc/21/55/06/1068215506.db2.gz YFWFMAODKQNMRQ-UHFFFAOYSA-N 0 0 452.146 4.858 20 0 JJADRN CC(C)(C)[C@@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)c1cccc(F)c1 ZINC001462923034 1068215923 /nfs/dbraw/zinc/21/59/23/1068215923.db2.gz VRBLXKNEYFIXEE-OIBXWCBGSA-N 0 0 476.614 4.927 20 0 JJADRN O=S(=O)(NCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001462924492 1068216555 /nfs/dbraw/zinc/21/65/55/1068216555.db2.gz JRCGBBSYXSUTQL-GFCCVEGCSA-N 0 0 450.771 4.541 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2cc(F)cc3cccnc32)C1 ZINC001462925238 1068216609 /nfs/dbraw/zinc/21/66/09/1068216609.db2.gz AIIVMXNFVLSAAL-OAHLLOKOSA-N 0 0 453.489 4.857 20 0 JJADRN CCC[C@H](NS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1 ZINC001462927374 1068217155 /nfs/dbraw/zinc/21/71/55/1068217155.db2.gz NYVZBJISDDOANC-APWZRJJASA-N 0 0 450.428 4.730 20 0 JJADRN CCN(c1cccc(Br)c1)S(=O)(=O)c1cc(Br)c(F)cc1C ZINC001462928484 1068217745 /nfs/dbraw/zinc/21/77/45/1068217745.db2.gz RBZGIUSUTPHQFY-UHFFFAOYSA-N 0 0 451.155 4.874 20 0 JJADRN CCC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1)c1ccc(Cl)c(Cl)c1 ZINC001462929129 1068218094 /nfs/dbraw/zinc/21/80/94/1068218094.db2.gz UQDKJEIMQDAMMW-MRXNPFEDSA-N 0 0 452.306 4.878 20 0 JJADRN O=C1CC2(CCCCC2)Oc2cc(OS(=O)(=O)c3ccc(OC(F)F)c(F)c3)ccc21 ZINC001462929697 1068218191 /nfs/dbraw/zinc/21/81/91/1068218191.db2.gz VEQYRJNNWAYOJL-UHFFFAOYSA-N 0 0 456.438 4.863 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001462931472 1068219355 /nfs/dbraw/zinc/21/93/55/1068219355.db2.gz PUCDIGVIGVDIJN-RBUKOAKNSA-N 0 0 456.558 4.769 20 0 JJADRN CCN(c1ccccc1F)S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001462933457 1068220200 /nfs/dbraw/zinc/22/02/00/1068220200.db2.gz FMVYIPHJGZGFFR-UHFFFAOYSA-N 0 0 451.155 4.874 20 0 JJADRN Cc1c(I)ccc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1C ZINC001462933883 1068220331 /nfs/dbraw/zinc/22/03/31/1068220331.db2.gz GVDXFKKAFQSWHJ-HNNXBMFYSA-N 0 0 450.320 4.504 20 0 JJADRN COC(C)(C)[C@H](C)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001462935114 1068220616 /nfs/dbraw/zinc/22/06/16/1068220616.db2.gz NDXIBPKCXPGBAO-OALUTQOASA-N 0 0 450.579 4.577 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)cc1OC ZINC001462935363 1068220899 /nfs/dbraw/zinc/22/08/99/1068220899.db2.gz KLYNBWNZTDTFRB-RXVVDRJESA-N 0 0 453.551 4.507 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c2ncccc12 ZINC001462943797 1068223523 /nfs/dbraw/zinc/22/35/23/1068223523.db2.gz KDJXPIGZAWVXGI-OAQYLSRUSA-N 0 0 454.498 4.784 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC001462945093 1068223977 /nfs/dbraw/zinc/22/39/77/1068223977.db2.gz IMFFGTRPCPYQFH-JOCHJYFZSA-N 0 0 455.551 4.810 20 0 JJADRN O=S(=O)(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1cc(F)ccc1OC(F)F ZINC001462947087 1068224511 /nfs/dbraw/zinc/22/45/11/1068224511.db2.gz TYUOSPFFMFCPGE-GOSISDBHSA-N 0 0 457.420 4.968 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC001462948194 1068225726 /nfs/dbraw/zinc/22/57/26/1068225726.db2.gz IZEGKLJKJSQLRA-UHFFFAOYSA-N 0 0 452.605 4.772 20 0 JJADRN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1 ZINC001462950433 1068226264 /nfs/dbraw/zinc/22/62/64/1068226264.db2.gz FPMMBAZWILFBEN-QHCPKHFHSA-N 0 0 454.979 4.729 20 0 JJADRN CCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)cc1 ZINC001462953675 1068227500 /nfs/dbraw/zinc/22/75/00/1068227500.db2.gz ICGUCUHKYDOQNQ-UHFFFAOYSA-N 0 0 454.386 4.650 20 0 JJADRN CCCC[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462963855 1068230804 /nfs/dbraw/zinc/23/08/04/1068230804.db2.gz CYYWZLBLPQOMQH-XMMPIXPASA-N 0 0 457.640 4.886 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)COc1cc(C)ccc1C)c1ccc(Br)c(Cl)c1 ZINC001462965979 1068232232 /nfs/dbraw/zinc/23/22/32/1068232232.db2.gz ROFSDMBFEBWRBF-IBGZPJMESA-N 0 0 454.748 4.519 20 0 JJADRN CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC001462968397 1068232658 /nfs/dbraw/zinc/23/26/58/1068232658.db2.gz VEKJSDCVHHIYEB-UHFFFAOYSA-N 0 0 452.345 4.831 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC001462971227 1068233273 /nfs/dbraw/zinc/23/32/73/1068233273.db2.gz BTWDTOJUNUQCLO-IBGZPJMESA-N 0 0 458.562 4.878 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N(Cc3ccsc3)c3cccnc3)cc2c1C ZINC001462972757 1068233911 /nfs/dbraw/zinc/23/39/11/1068233911.db2.gz SXGCKZSXEVTAMV-UHFFFAOYSA-N 0 0 456.545 4.770 20 0 JJADRN CN1c2cc(NC(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)ccc2OCC(C)(C)C1=O ZINC001462973238 1068234062 /nfs/dbraw/zinc/23/40/62/1068234062.db2.gz BQXHYEQFMPJENM-RXFWQSSRSA-N 0 0 471.598 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)c2c(F)cccc2F)c2ccccc21 ZINC001462974122 1068234564 /nfs/dbraw/zinc/23/45/64/1068234564.db2.gz JGSDIJWWNFOBFO-SJORKVTESA-N 0 0 458.505 4.735 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2cccc(-c3cccnc3)n2)cc1OCC ZINC001462975120 1068234926 /nfs/dbraw/zinc/23/49/26/1068234926.db2.gz TXSDZSGNSPESRK-UHFFFAOYSA-N 0 0 456.340 4.885 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@H](CS(=O)(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC001462976425 1068235738 /nfs/dbraw/zinc/23/57/38/1068235738.db2.gz PVQKBOKCWAKYJS-ISKFKSNPSA-N 0 0 456.608 4.592 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC001462977309 1068236241 /nfs/dbraw/zinc/23/62/41/1068236241.db2.gz ODYZJVRMKARZBC-MRXNPFEDSA-N 0 0 454.958 4.722 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC001462979228 1068236793 /nfs/dbraw/zinc/23/67/93/1068236793.db2.gz JESHXGLEGBWBCQ-HSZRJFAPSA-N 0 0 456.514 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)CCc2cccs2)c2ccccc21 ZINC001462978608 1068236998 /nfs/dbraw/zinc/23/69/98/1068236998.db2.gz QFESPNQSVZRUGU-MOPGFXCFSA-N 0 0 456.608 4.837 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c1C ZINC001462985748 1068240001 /nfs/dbraw/zinc/24/00/01/1068240001.db2.gz CSJHWCSGJDPDKE-NRFANRHFSA-N 0 0 458.580 4.961 20 0 JJADRN CCn1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC001462986420 1068240421 /nfs/dbraw/zinc/24/04/21/1068240421.db2.gz SGRGOQSRPUYDCU-LJQANCHMSA-N 0 0 453.486 4.622 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC001462987817 1068241032 /nfs/dbraw/zinc/24/10/32/1068241032.db2.gz YBVNQHBWGFTMLN-MRXNPFEDSA-N 0 0 455.561 4.508 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001462987842 1068241163 /nfs/dbraw/zinc/24/11/63/1068241163.db2.gz HXUCYGSXWWGIDL-NRFANRHFSA-N 0 0 459.493 4.968 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)c(F)c1F ZINC001462990436 1068241649 /nfs/dbraw/zinc/24/16/49/1068241649.db2.gz QXBYJUCSLOKVBM-FQEVSTJZSA-N 0 0 456.514 4.730 20 0 JJADRN O=S(=O)(N[C@@H]1CCCOc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001462992337 1068242223 /nfs/dbraw/zinc/24/22/23/1068242223.db2.gz HHPSXFQYRPIAJF-GFCCVEGCSA-N 0 0 451.169 4.948 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c1 ZINC001462992947 1068242248 /nfs/dbraw/zinc/24/22/48/1068242248.db2.gz VTJXTIVSZYGCQR-GOSISDBHSA-N 0 0 459.589 4.539 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)CCc2cccc(Cl)c2)cc1OC ZINC001462994365 1068243234 /nfs/dbraw/zinc/24/32/34/1068243234.db2.gz YDPWOQJLLPADPO-NRFANRHFSA-N 0 0 452.016 4.717 20 0 JJADRN O=S(=O)(/C=C\c1ccccc1Cl)NCc1cc(Br)ccc1OC(F)F ZINC001462995852 1068243245 /nfs/dbraw/zinc/24/32/45/1068243245.db2.gz SZNHIYNTYLMHEM-FPLPWBNLSA-N 0 0 452.704 4.794 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c1 ZINC001463000438 1068245077 /nfs/dbraw/zinc/24/50/77/1068245077.db2.gz LIEXQXUTPNKVDI-UHFFFAOYSA-N 0 0 451.894 4.771 20 0 JJADRN O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1cc(Cl)c(Cl)cc1Br ZINC001463001456 1068245182 /nfs/dbraw/zinc/24/51/82/1068245182.db2.gz GNLTYSCHTSITDN-UHFFFAOYSA-N 0 0 454.125 4.685 20 0 JJADRN CCOc1ccccc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463002837 1068245640 /nfs/dbraw/zinc/24/56/40/1068245640.db2.gz RGFJVRKQQZYJPM-UHFFFAOYSA-N 0 0 453.185 4.676 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2ccc(Cc3ccccc3)cc2)c(F)c1Cl ZINC001463001544 1068245838 /nfs/dbraw/zinc/24/58/38/1068245838.db2.gz IQOQRZJQFJXWAG-UHFFFAOYSA-N 0 0 451.878 4.935 20 0 JJADRN Cc1c(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cnn1-c1ccccn1 ZINC001463006020 1068247335 /nfs/dbraw/zinc/24/73/35/1068247335.db2.gz OEMXNAMDCUEIEM-OAQYLSRUSA-N 0 0 459.015 4.699 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc(F)ccc1Br)c1cccc(C(F)(F)F)c1 ZINC001463006420 1068247563 /nfs/dbraw/zinc/24/75/63/1068247563.db2.gz HSMGAGQOMZATAD-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463005776 1068247611 /nfs/dbraw/zinc/24/76/11/1068247611.db2.gz YSLIEFPTGJWQSY-YPMHNXCESA-N 0 0 453.753 4.812 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001463006847 1068247977 /nfs/dbraw/zinc/24/79/77/1068247977.db2.gz QQUYOOJEEZZUEJ-OAHLLOKOSA-N 0 0 458.260 4.914 20 0 JJADRN CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC(C)C)c3ccccc31)O[C@H](C)C2 ZINC001463008734 1068248729 /nfs/dbraw/zinc/24/87/29/1068248729.db2.gz YKOHYCIIPHIKLY-QGZVFWFLSA-N 0 0 455.576 4.828 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NS(=O)(=O)c1csnc1-c1ccccc1 ZINC001463011998 1068250288 /nfs/dbraw/zinc/25/02/88/1068250288.db2.gz WDMRRZHBXFEYDO-UHFFFAOYSA-N 0 0 451.411 4.872 20 0 JJADRN O=S(=O)(NCC1(c2c(F)cccc2F)CCCC1)c1cnc(Cl)cc1C(F)(F)F ZINC001463011138 1068250333 /nfs/dbraw/zinc/25/03/33/1068250333.db2.gz RLZFXDUOJVGYNB-UHFFFAOYSA-N 0 0 454.848 4.822 20 0 JJADRN COc1ccc(C[C@H](NS(=O)(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2)cc1OC ZINC001463012257 1068251081 /nfs/dbraw/zinc/25/10/81/1068251081.db2.gz AUBKWVLOOZTCSM-QFIPXVFZSA-N 0 0 455.576 4.592 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)ccc2c1 ZINC001463014686 1068251559 /nfs/dbraw/zinc/25/15/59/1068251559.db2.gz LTLWKXZSXNVKOV-SFHVURJKSA-N 0 0 455.555 4.510 20 0 JJADRN CCC(CC)(CNS(=O)(=O)C[C@]1(OC(C)C)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC001463015607 1068251954 /nfs/dbraw/zinc/25/19/54/1068251954.db2.gz BBWOBVGJJRUORN-FQEVSTJZSA-N 0 0 452.444 4.555 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001463015202 1068252004 /nfs/dbraw/zinc/25/20/04/1068252004.db2.gz AHAPLKBVGXXYML-CQSZACIVSA-N 0 0 458.536 4.760 20 0 JJADRN CCCCc1nc(C)c(CC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)s1 ZINC001463015423 1068252101 /nfs/dbraw/zinc/25/21/01/1068252101.db2.gz AUFCUFGAZTWGJH-UHFFFAOYSA-N 0 0 455.546 4.826 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC001463015290 1068252112 /nfs/dbraw/zinc/25/21/12/1068252112.db2.gz AJBAZKICRARGJW-QGZVFWFLSA-N 0 0 457.523 4.621 20 0 JJADRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(S(=O)(=O)c2cc(F)ccc2C)C3)cc1 ZINC001463020277 1068254545 /nfs/dbraw/zinc/25/45/45/1068254545.db2.gz VITYXROFPGJMMW-UHFFFAOYSA-N 0 0 453.539 4.834 20 0 JJADRN Cc1cccc(NC(=O)c2csc(I)n2)c1OCc1ccccc1 ZINC001463021151 1068254662 /nfs/dbraw/zinc/25/46/62/1068254662.db2.gz IKTRZFPBIIUASW-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463022907 1068255063 /nfs/dbraw/zinc/25/50/63/1068255063.db2.gz PLGSLJGEDXDRBY-GJZGRUSLSA-N 0 0 454.151 4.636 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001463023691 1068255808 /nfs/dbraw/zinc/25/58/08/1068255808.db2.gz FQXBBHAQFDCGQP-HKUYNNGSSA-N 0 0 452.414 4.928 20 0 JJADRN O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC001463027339 1068256792 /nfs/dbraw/zinc/25/67/92/1068256792.db2.gz UFXUSUYWSCGCBF-QFIPXVFZSA-N 0 0 459.562 4.843 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc3nc(C)oc3c2)cc1 ZINC001463031132 1068257382 /nfs/dbraw/zinc/25/73/82/1068257382.db2.gz KLJVIPCFFCOZLE-UHFFFAOYSA-N 0 0 452.532 4.545 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)cc12 ZINC001463031797 1068257620 /nfs/dbraw/zinc/25/76/20/1068257620.db2.gz NBHVCPIMEUQGBA-UHFFFAOYSA-N 0 0 456.218 4.545 20 0 JJADRN C[C@H](CNS(=O)(=O)c1cccc2c1OC(C)(C)C2)Sc1ccc(Br)cc1 ZINC001463030382 1068257658 /nfs/dbraw/zinc/25/76/58/1068257658.db2.gz FAWYNBNRNPCBHM-CYBMUJFWSA-N 0 0 456.427 4.622 20 0 JJADRN Cc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)ccc1S(=O)(=O)N(C)C ZINC001463034878 1068258141 /nfs/dbraw/zinc/25/81/41/1068258141.db2.gz GRPPKKUTPHBPHG-UHFFFAOYSA-N 0 0 457.602 4.836 20 0 JJADRN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001463039715 1068260071 /nfs/dbraw/zinc/26/00/71/1068260071.db2.gz FUOLCQPEKJPNOG-JOCHJYFZSA-N 0 0 459.587 4.703 20 0 JJADRN Cc1cc(NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)N(C)C ZINC001463040610 1068261137 /nfs/dbraw/zinc/26/11/37/1068261137.db2.gz PDEZCQMBJJNMPC-UHFFFAOYSA-N 0 0 459.395 4.596 20 0 JJADRN CCN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC001463044086 1068262389 /nfs/dbraw/zinc/26/23/89/1068262389.db2.gz ZPPMKGQFWQRRFX-VWLOTQADSA-N 0 0 452.551 4.535 20 0 JJADRN CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001463043703 1068262418 /nfs/dbraw/zinc/26/24/18/1068262418.db2.gz OTBRPDLERDBHLV-IBGZPJMESA-N 0 0 455.889 4.949 20 0 JJADRN C[C@H]1[C@@H](C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001463045857 1068263135 /nfs/dbraw/zinc/26/31/35/1068263135.db2.gz COCTZJPHZAHMHK-MBSDFSHPSA-N 0 0 456.558 4.709 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@H]1CS(=O)(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001463045006 1068263195 /nfs/dbraw/zinc/26/31/95/1068263195.db2.gz VAVQDJHSGMHCDN-BJKOFHAPSA-N 0 0 456.608 4.639 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)c1Cl ZINC001463046382 1068263687 /nfs/dbraw/zinc/26/36/87/1068263687.db2.gz GFYLGEIATGVTEU-RUZDIDTESA-N 0 0 454.784 4.738 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001463046324 1068263751 /nfs/dbraw/zinc/26/37/51/1068263751.db2.gz FFUUYWGYUQUQJF-QFIPXVFZSA-N 0 0 454.542 4.677 20 0 JJADRN CCC1(Cn2c(-c3ccccc3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001546136102 1068263837 /nfs/dbraw/zinc/26/38/37/1068263837.db2.gz QUGWCRSBXMOQQO-SFHVURJKSA-N 0 0 463.548 4.729 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001463046318 1068263866 /nfs/dbraw/zinc/26/38/66/1068263866.db2.gz FFUUYWGYUQUQJF-JOCHJYFZSA-N 0 0 454.542 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2C1 ZINC001463049986 1068265454 /nfs/dbraw/zinc/26/54/54/1068265454.db2.gz NXVMZNGHOUBCSF-DLBZAZTESA-N 0 0 451.354 4.683 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001463049832 1068265779 /nfs/dbraw/zinc/26/57/79/1068265779.db2.gz QJNNXJYNEIPTCJ-JWPZTYLUSA-N 0 0 459.782 4.850 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001463051743 1068266166 /nfs/dbraw/zinc/26/61/66/1068266166.db2.gz XCUFWPHCCJEDCE-FWUCURJTSA-N 0 0 456.995 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1 ZINC001463052060 1068266177 /nfs/dbraw/zinc/26/61/77/1068266177.db2.gz WNYRDYQBTBAWPL-SFNQZPIRSA-N 0 0 454.898 4.513 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(S(=O)(=O)CCC2CCCCC2)CC1 ZINC001463052427 1068266800 /nfs/dbraw/zinc/26/68/00/1068266800.db2.gz ABWTYSOGZZINOZ-NRFANRHFSA-N 0 0 457.478 4.818 20 0 JJADRN COC(=O)c1ccc(F)cc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001463053344 1068266828 /nfs/dbraw/zinc/26/68/28/1068266828.db2.gz DCIDHMWZRMIRMO-UHFFFAOYSA-N 0 0 459.461 4.765 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(S(=O)(=O)CCC2CCCCC2)CC1 ZINC001463052432 1068267002 /nfs/dbraw/zinc/26/70/02/1068267002.db2.gz ABWTYSOGZZINOZ-OAQYLSRUSA-N 0 0 457.478 4.818 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC001463053602 1068267340 /nfs/dbraw/zinc/26/73/40/1068267340.db2.gz KNCXCNJIFOPUKE-CYBMUJFWSA-N 0 0 453.033 4.842 20 0 JJADRN O=C1COc2cc(S(=O)(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)c(Cl)cc2N1 ZINC001463053657 1068267440 /nfs/dbraw/zinc/26/74/40/1068267440.db2.gz IOQVOEMGMQGEES-HXUWFJFHSA-N 0 0 455.363 4.534 20 0 JJADRN C[C@H](c1ccccc1)c1ccc(OS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)cc1 ZINC001463054006 1068267502 /nfs/dbraw/zinc/26/75/02/1068267502.db2.gz HQCKCRYKIUNDMW-LJQANCHMSA-N 0 0 451.544 4.568 20 0 JJADRN CC(C)(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC001463055253 1068267901 /nfs/dbraw/zinc/26/79/01/1068267901.db2.gz HIGDXWLFMAFBGU-UHFFFAOYSA-N 0 0 450.560 4.868 20 0 JJADRN O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001463055834 1068268763 /nfs/dbraw/zinc/26/87/63/1068268763.db2.gz RHBLWEGGBCPHPH-FGZHOGPDSA-N 0 0 453.048 4.672 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)c(I)cc1Cl ZINC001463059050 1068270045 /nfs/dbraw/zinc/27/00/45/1068270045.db2.gz TXBVTOITUHWYEK-DJJJIMSYSA-N 0 0 452.723 4.799 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CCCC1 ZINC001546136171 1068270340 /nfs/dbraw/zinc/27/03/40/1068270340.db2.gz TYKVMJVGULCFMT-UHFFFAOYSA-N 0 0 454.525 4.664 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001463062273 1068271604 /nfs/dbraw/zinc/27/16/04/1068271604.db2.gz DYPNKIRTSGPMID-OAQYLSRUSA-N 0 0 457.615 4.515 20 0 JJADRN Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001463063694 1068272124 /nfs/dbraw/zinc/27/21/24/1068272124.db2.gz OCRDPSHHXJTNEX-QFIPXVFZSA-N 0 0 452.599 4.777 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc(C(F)(F)F)c1 ZINC001463065524 1068273505 /nfs/dbraw/zinc/27/35/05/1068273505.db2.gz OCJYHZDRYRMYOW-KRWDZBQOSA-N 0 0 452.429 4.697 20 0 JJADRN COc1cc(Cl)ccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1cc(C)cc(C)c1 ZINC001463066659 1068273968 /nfs/dbraw/zinc/27/39/68/1068273968.db2.gz QQEKGASZDXSFPX-UHFFFAOYSA-N 0 0 458.967 4.799 20 0 JJADRN COc1cccc([C@H](C)N2CCN(S(=O)(=O)c3csc4ccc(Cl)cc43)CC2)c1 ZINC001463066178 1068274083 /nfs/dbraw/zinc/27/40/83/1068274083.db2.gz OFRCNHLLTBLWIV-HNNXBMFYSA-N 0 0 451.013 4.631 20 0 JJADRN CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001463065980 1068274148 /nfs/dbraw/zinc/27/41/48/1068274148.db2.gz DWIOKTAVKNUOCM-QGZVFWFLSA-N 0 0 455.605 4.874 20 0 JJADRN O=S(=O)(c1oc2ccccc2c1Br)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001463068345 1068274618 /nfs/dbraw/zinc/27/46/18/1068274618.db2.gz NRFBABCRMHQFQA-INIZCTEOSA-N 0 0 456.745 4.611 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2C)C(C)C)cc1Br ZINC001463069064 1068275346 /nfs/dbraw/zinc/27/53/46/1068275346.db2.gz SYAAAMSQKAYNNV-FQEVSTJZSA-N 0 0 453.402 4.700 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001463070170 1068275998 /nfs/dbraw/zinc/27/59/98/1068275998.db2.gz WHBRXLZMYZDGJY-HTAPYJJXSA-N 0 0 451.405 4.596 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001463069548 1068276145 /nfs/dbraw/zinc/27/61/45/1068276145.db2.gz UOPKLFISCMTVTP-LBUQITIBSA-N 0 0 451.405 4.849 20 0 JJADRN CC(C)(C)OC(=O)NOCCCNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001463072253 1068276630 /nfs/dbraw/zinc/27/66/30/1068276630.db2.gz IWLLLKAATGJEKB-LJQANCHMSA-N 0 0 452.910 4.562 20 0 JJADRN COc1cccc(C2(CNS(=O)(=O)Cc3ccc(F)cc3Br)CCCC2)c1 ZINC001463071090 1068276663 /nfs/dbraw/zinc/27/66/63/1068276663.db2.gz ZZJHQPDFQDXLCX-UHFFFAOYSA-N 0 0 456.377 4.528 20 0 JJADRN COc1cc(F)c([C@H](C)NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cc1OC ZINC001463078069 1068280224 /nfs/dbraw/zinc/28/02/24/1068280224.db2.gz FLJXPROEUMLXKE-INIZCTEOSA-N 0 0 451.560 4.842 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)s1 ZINC001463081786 1068281129 /nfs/dbraw/zinc/28/11/29/1068281129.db2.gz CCKPMRMPUVJYRA-OAQYLSRUSA-N 0 0 455.601 4.638 20 0 JJADRN C[C@@H](CC(N)=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC001463087545 1068282888 /nfs/dbraw/zinc/28/28/88/1068282888.db2.gz PXJCHPAIDQIVAZ-ZDUSSCGKSA-N 0 0 458.381 4.733 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463093303 1068284066 /nfs/dbraw/zinc/28/40/66/1068284066.db2.gz KNYCSXXQJBKRTJ-INIZCTEOSA-N 0 0 453.739 4.585 20 0 JJADRN O=C(Nc1ccc(OS(=O)(=O)c2cc(Br)ccc2F)cc1)C1CCCCC1 ZINC001463094379 1068284159 /nfs/dbraw/zinc/28/41/59/1068284159.db2.gz DHYWCZYBMZKQCJ-UHFFFAOYSA-N 0 0 456.333 4.875 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)Oc1c(Cl)cc(Br)cc1Cl ZINC001463093542 1068284301 /nfs/dbraw/zinc/28/43/01/1068284301.db2.gz GCSVXDDTFVJLPX-XVKPBYJWSA-N 0 0 458.079 4.574 20 0 JJADRN COc1ccccc1Oc1ccc(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)cc1 ZINC001463097028 1068285349 /nfs/dbraw/zinc/28/53/49/1068285349.db2.gz MLQNLFZBEQVDGQ-UHFFFAOYSA-N 0 0 453.438 4.707 20 0 JJADRN COCc1cc(CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)ccc1F ZINC001463097319 1068285445 /nfs/dbraw/zinc/28/54/45/1068285445.db2.gz ZSTMFEPSAGAQBG-UHFFFAOYSA-N 0 0 457.148 4.520 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)c(C(F)F)n1 ZINC001463097055 1068285494 /nfs/dbraw/zinc/28/54/94/1068285494.db2.gz QPNVQRBNJKRDCK-UHFFFAOYSA-N 0 0 456.578 4.880 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001463097813 1068285955 /nfs/dbraw/zinc/28/59/55/1068285955.db2.gz SITJPHYHCOPJPQ-UHFFFAOYSA-N 0 0 458.521 4.874 20 0 JJADRN COc1cc(C)c(S(=O)(=O)Oc2c(Cl)cc(Br)cc2Cl)cc1OC ZINC001463101197 1068287634 /nfs/dbraw/zinc/28/76/34/1068287634.db2.gz RBFYUEHWNZIEPT-UHFFFAOYSA-N 0 0 456.141 4.849 20 0 JJADRN O=S(=O)(c1cnc2c(Br)csc2c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001463105173 1068289458 /nfs/dbraw/zinc/28/94/58/1068289458.db2.gz BPSDZHKSAFOMRZ-GFCCVEGCSA-N 0 0 457.802 4.890 20 0 JJADRN CC[S@@](=O)(=NC(=O)c1ccc(I)cc1F)c1cccc(Cl)c1 ZINC001463108621 1068290038 /nfs/dbraw/zinc/29/00/38/1068290038.db2.gz NHKOKQMVRYIYRG-QFIPXVFZSA-N 0 0 451.688 4.771 20 0 JJADRN Cc1ccccc1[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H](C)CO1 ZINC001463110821 1068290516 /nfs/dbraw/zinc/29/05/16/1068290516.db2.gz ISTGEFOEDRNRCQ-AUUYWEPGSA-N 0 0 458.805 4.703 20 0 JJADRN Cc1cc2c(cc1S(=O)(=O)N1CCC(COc3cc(Cl)cc(Cl)c3)CC1)OCO2 ZINC001463109625 1068290528 /nfs/dbraw/zinc/29/05/28/1068290528.db2.gz GPLOTHUYTYVEJE-UHFFFAOYSA-N 0 0 458.363 4.510 20 0 JJADRN C[C@@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)c1nc2ccccc2s1 ZINC001463111921 1068291063 /nfs/dbraw/zinc/29/10/63/1068291063.db2.gz SBBJEQHXNRSYAF-MLGOLLRUSA-N 0 0 451.411 4.597 20 0 JJADRN Cc1cccnc1[C@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC001463112365 1068291083 /nfs/dbraw/zinc/29/10/83/1068291083.db2.gz XOVDANOXGUFREY-OAHLLOKOSA-N 0 0 451.308 4.847 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc(Cl)c1 ZINC001463111214 1068291149 /nfs/dbraw/zinc/29/11/49/1068291149.db2.gz SVPPMZCRSFPCGW-VKGTZQKMSA-N 0 0 455.388 4.996 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c2ccccc12 ZINC001463114005 1068291588 /nfs/dbraw/zinc/29/15/88/1068291588.db2.gz ABQTULDMKZCAAT-UHFFFAOYSA-N 0 0 457.939 4.809 20 0 JJADRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)[C@@H](C)CO1 ZINC001463115923 1068292666 /nfs/dbraw/zinc/29/26/66/1068292666.db2.gz IRIBJIJSDVHYGE-KSSFIOAISA-N 0 0 450.354 4.654 20 0 JJADRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)[C@H](C)CO1 ZINC001463115919 1068292745 /nfs/dbraw/zinc/29/27/45/1068292745.db2.gz IRIBJIJSDVHYGE-KDOFPFPSSA-N 0 0 450.354 4.654 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC001463117197 1068293277 /nfs/dbraw/zinc/29/32/77/1068293277.db2.gz PPIWFALFXRFFKX-RUZDIDTESA-N 0 0 452.576 4.533 20 0 JJADRN O=C(CSc1ncnc2ccccc21)N1CCC(C(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC001463118752 1068293884 /nfs/dbraw/zinc/29/38/84/1068293884.db2.gz IHHDYPHSAGXRTQ-UHFFFAOYSA-N 0 0 456.518 4.537 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC001463121424 1068294472 /nfs/dbraw/zinc/29/44/72/1068294472.db2.gz OKPPUSWGYODCOT-HXUWFJFHSA-N 0 0 459.409 4.794 20 0 JJADRN CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001463121822 1068295041 /nfs/dbraw/zinc/29/50/41/1068295041.db2.gz OQCLUOOGYXUMSJ-GOSISDBHSA-N 0 0 457.821 4.533 20 0 JJADRN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001463123426 1068295570 /nfs/dbraw/zinc/29/55/70/1068295570.db2.gz FXSAYALGPFNTCB-INIZCTEOSA-N 0 0 450.760 4.859 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1C(F)F ZINC001463124458 1068295681 /nfs/dbraw/zinc/29/56/81/1068295681.db2.gz BHFAFJWINSVNRU-CYBMUJFWSA-N 0 0 451.399 4.557 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1C(F)F ZINC001463124469 1068295715 /nfs/dbraw/zinc/29/57/15/1068295715.db2.gz BHFAFJWINSVNRU-ZDUSSCGKSA-N 0 0 451.399 4.557 20 0 JJADRN O=S(=O)(N[C@@H](COCc1ccccc1)c1ccccc1)c1cscc1Br ZINC001463126113 1068296120 /nfs/dbraw/zinc/29/61/20/1068296120.db2.gz LFSMQPGDWVVIQR-SFHVURJKSA-N 0 0 452.395 4.747 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1F)c1ccc(Br)c(F)c1 ZINC001463126808 1068296162 /nfs/dbraw/zinc/29/61/62/1068296162.db2.gz OXWMSPZBQFXRBU-HXUWFJFHSA-N 0 0 452.320 4.990 20 0 JJADRN O=S(=O)(NCCCCSc1ccccc1Br)c1cccc2ncccc21 ZINC001463130749 1068297334 /nfs/dbraw/zinc/29/73/34/1068297334.db2.gz FGGYVPXVUMQCMG-UHFFFAOYSA-N 0 0 451.411 4.848 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001463132091 1068298009 /nfs/dbraw/zinc/29/80/09/1068298009.db2.gz JVWWLYRNKFDETN-IHWFROFDSA-N 0 0 459.409 4.787 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CC1)c1ccc(OC2CCCC2)cc1 ZINC001463134111 1068298483 /nfs/dbraw/zinc/29/84/83/1068298483.db2.gz VYSYQMALVQHADI-UHFFFAOYSA-N 0 0 450.398 4.781 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)cc21 ZINC001463133405 1068298532 /nfs/dbraw/zinc/29/85/32/1068298532.db2.gz JUURJQHXGYADAD-UHFFFAOYSA-N 0 0 453.539 4.520 20 0 JJADRN O=S(=O)(CCOCC(F)(F)F)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001463136222 1068299060 /nfs/dbraw/zinc/29/90/60/1068299060.db2.gz CFOVLDWPINANMK-UHFFFAOYSA-N 0 0 458.285 4.784 20 0 JJADRN CC(C)COc1cc(NC(=O)c2nn3c(c2Br)CCC3)ccc1Br ZINC001463142806 1068301060 /nfs/dbraw/zinc/30/10/60/1068301060.db2.gz GXRKUJOXFKXLBI-UHFFFAOYSA-N 0 0 457.166 4.641 20 0 JJADRN Cc1cccc([C@H](NC(=O)c2ccc3cncc(Br)c3n2)C(=O)OC(C)(C)C)c1 ZINC001463145693 1068302098 /nfs/dbraw/zinc/30/20/98/1068302098.db2.gz FGSYKLWUWHNISN-IBGZPJMESA-N 0 0 456.340 4.514 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001463145768 1068302133 /nfs/dbraw/zinc/30/21/33/1068302133.db2.gz ATZOFTDAMPPGOL-OAHLLOKOSA-N 0 0 452.338 4.562 20 0 JJADRN Cc1cccc([C@@H](NC(=O)c2ccc3cncc(Br)c3n2)C(=O)OC(C)(C)C)c1 ZINC001463145698 1068302352 /nfs/dbraw/zinc/30/23/52/1068302352.db2.gz FGSYKLWUWHNISN-LJQANCHMSA-N 0 0 456.340 4.514 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC001463147038 1068302809 /nfs/dbraw/zinc/30/28/09/1068302809.db2.gz BGPATYQHVHFTNB-NSHDSACASA-N 0 0 457.137 4.703 20 0 JJADRN CN1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c2ccccc21 ZINC001463147004 1068302770 /nfs/dbraw/zinc/30/27/70/1068302770.db2.gz KLLYOCVHXAUPGE-UHFFFAOYSA-N 0 0 450.185 4.791 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)Cc2cccc(Cl)c2Br)s1 ZINC001463147544 1068302789 /nfs/dbraw/zinc/30/27/89/1068302789.db2.gz XQMDUGKHIWGOSY-NSHDSACASA-N 0 0 451.839 4.953 20 0 JJADRN COc1ccc(S(=O)(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 ZINC001463149496 1068303863 /nfs/dbraw/zinc/30/38/63/1068303863.db2.gz NWSVWVQAFZSYEC-FQEVSTJZSA-N 0 0 452.359 4.681 20 0 JJADRN COCc1csc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)c1 ZINC001463150181 1068304231 /nfs/dbraw/zinc/30/42/31/1068304231.db2.gz NKDBWVUTIUNXIN-IBGZPJMESA-N 0 0 455.361 4.737 20 0 JJADRN O=S(=O)(NC[C@H](O)c1ccccc1C(F)(F)F)c1cccc(Sc2ccccc2)c1 ZINC001463152472 1068305241 /nfs/dbraw/zinc/30/52/41/1068305241.db2.gz DZLLPWZVEGUJPV-FQEVSTJZSA-N 0 0 453.507 4.869 20 0 JJADRN Cc1cccc([C@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(=O)OC(C)(C)C)c1 ZINC001463152856 1068305457 /nfs/dbraw/zinc/30/54/57/1068305457.db2.gz URLRMOXICYYKMN-NRFANRHFSA-N 0 0 455.942 4.830 20 0 JJADRN O=C(Nc1cc(OC(F)(F)F)ccc1Br)c1cnc(F)c(Br)c1 ZINC001463159765 1068306656 /nfs/dbraw/zinc/30/66/56/1068306656.db2.gz BATXIEFLNHVXFR-UHFFFAOYSA-N 0 0 458.003 4.897 20 0 JJADRN Cc1cc(Br)cc2c1N(S(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2 ZINC001463164847 1068307630 /nfs/dbraw/zinc/30/76/30/1068307630.db2.gz JBAJQBNFHIRJIK-UHFFFAOYSA-N 0 0 450.276 4.640 20 0 JJADRN Cc1cc(Cl)cc2c1N(S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)CCC2 ZINC001463165339 1068307991 /nfs/dbraw/zinc/30/79/91/1068307991.db2.gz KRYVIFATWHRRLG-UHFFFAOYSA-N 0 0 455.045 4.556 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001463169358 1068308870 /nfs/dbraw/zinc/30/88/70/1068308870.db2.gz UMSRYYPBEFJJTN-GOSISDBHSA-N 0 0 451.869 4.632 20 0 JJADRN CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463176399 1068310378 /nfs/dbraw/zinc/31/03/78/1068310378.db2.gz PYACAPJOXDDEEL-NRFANRHFSA-N 0 0 456.951 4.558 20 0 JJADRN CN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463177337 1068310516 /nfs/dbraw/zinc/31/05/16/1068310516.db2.gz PYACAPJOXDDEEL-OAQYLSRUSA-N 0 0 456.951 4.558 20 0 JJADRN CCN([C@@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC001463181620 1068312090 /nfs/dbraw/zinc/31/20/90/1068312090.db2.gz GUIDYQQBCPCXRZ-FQEVSTJZSA-N 0 0 458.958 4.855 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCn2nc(C(C)(C)C)cc2C1 ZINC001463186339 1068313684 /nfs/dbraw/zinc/31/36/84/1068313684.db2.gz GYEHSERYCPLMTM-UHFFFAOYSA-N 0 0 457.372 4.817 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1)CCO2 ZINC001463186699 1068313979 /nfs/dbraw/zinc/31/39/79/1068313979.db2.gz LRMVFMREFIPMCX-QHCPKHFHSA-N 0 0 453.560 4.727 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC001463186426 1068314114 /nfs/dbraw/zinc/31/41/14/1068314114.db2.gz PIRKHICAVXSIGV-KXBFYZLASA-N 0 0 458.805 4.857 20 0 JJADRN O=C1OCc2c1cccc2S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001463189371 1068314409 /nfs/dbraw/zinc/31/44/09/1068314409.db2.gz ZUFONZNJWZPBFQ-UHFFFAOYSA-N 0 0 453.482 4.556 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC001463190870 1068314843 /nfs/dbraw/zinc/31/48/43/1068314843.db2.gz IWLPLSYYXLGXHH-MSOLQXFVSA-N 0 0 454.493 4.518 20 0 JJADRN CC(C)(C)c1cc2n(n1)CCN(C(=O)c1csc(-c3ccc(Br)s3)n1)C2 ZINC001463190845 1068315148 /nfs/dbraw/zinc/31/51/48/1068315148.db2.gz ZRCQAXZMNDSJMX-UHFFFAOYSA-N 0 0 451.415 4.784 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1cnn(C)c1 ZINC001463190905 1068315738 /nfs/dbraw/zinc/31/57/38/1068315738.db2.gz JSAQBNNPRGIRIG-DEOSSOPVSA-N 0 0 456.656 4.868 20 0 JJADRN CO[C@@H](CS(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1)c1ccc(F)cc1 ZINC001463197594 1068317007 /nfs/dbraw/zinc/31/70/07/1068317007.db2.gz SKGFUGOLIBYPNA-XXBNENTESA-N 0 0 459.587 4.653 20 0 JJADRN CO[C@H](CS(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1)c1ccc(F)cc1 ZINC001463197587 1068317148 /nfs/dbraw/zinc/31/71/48/1068317148.db2.gz SKGFUGOLIBYPNA-WMZHIEFXSA-N 0 0 459.587 4.653 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2c(C)onc2-c2ccccc2Cl)C1 ZINC001463200460 1068318118 /nfs/dbraw/zinc/31/81/18/1068318118.db2.gz YZRXJRACBSAAIA-INIZCTEOSA-N 0 0 453.926 4.803 20 0 JJADRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3cccnc3Oc3ccc(Br)cc3)C2)n1 ZINC001463202191 1068318911 /nfs/dbraw/zinc/31/89/11/1068318911.db2.gz RMOWJECIVGJTNT-DZGCQCFKSA-N 0 0 457.328 4.648 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC001463205070 1068319539 /nfs/dbraw/zinc/31/95/39/1068319539.db2.gz YHNFYHLSDZOHJO-HIFRSBDPSA-N 0 0 450.486 4.769 20 0 JJADRN CC(C)[C@H](CCN(C)S(=O)(=O)c1ccc(OC2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC001463205649 1068319698 /nfs/dbraw/zinc/31/96/98/1068319698.db2.gz CBBLNTJFXPQNRY-NRFANRHFSA-N 0 0 454.633 4.568 20 0 JJADRN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(Cl)cc2C)C12CCCCC2 ZINC001463207581 1068320638 /nfs/dbraw/zinc/32/06/38/1068320638.db2.gz MXMVGMCPXKMCGJ-IRXDYDNUSA-N 0 0 450.826 4.817 20 0 JJADRN COc1ccc(S(=O)(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc1Br ZINC001463212372 1068321960 /nfs/dbraw/zinc/32/19/60/1068321960.db2.gz FEBZALCITUDHDG-UHFFFAOYSA-N 0 0 450.398 4.865 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)S(=O)(=O)c2cccc3ccoc32)cc1OC ZINC001463212857 1068322272 /nfs/dbraw/zinc/32/22/72/1068322272.db2.gz ZMNUGWZGZCIXSF-UHFFFAOYSA-N 0 0 457.573 4.945 20 0 JJADRN O=S(=O)(c1c[nH]c2c1cccc2Br)N1CC[C@H](CSc2ccccc2)C1 ZINC001463214173 1068322465 /nfs/dbraw/zinc/32/24/65/1068322465.db2.gz LMPQTIJAFVOSIL-AWEZNQCLSA-N 0 0 451.411 4.733 20 0 JJADRN CCCN([C@@H]1C[C@H](OCC)C12CCCCC2)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001463214971 1068322917 /nfs/dbraw/zinc/32/29/17/1068322917.db2.gz BIBVFXNTRNUTEM-RTWAWAEBSA-N 0 0 457.036 4.827 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)n2)c1 ZINC001463220394 1068324093 /nfs/dbraw/zinc/32/40/93/1068324093.db2.gz CNXJIYGQQRKWPB-KRWDZBQOSA-N 0 0 455.580 4.974 20 0 JJADRN C[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(I)cc1 ZINC001463221276 1068324568 /nfs/dbraw/zinc/32/45/68/1068324568.db2.gz FTSOESGPEZVKJW-KKSFZXQISA-N 0 0 456.327 4.890 20 0 JJADRN CCCN([C@@H]1C[C@@H](OCC)C12CCCCC2)S(=O)(=O)c1cc(C(=O)OCC)ccc1C ZINC001463222489 1068325297 /nfs/dbraw/zinc/32/52/97/1068325297.db2.gz RZUFLTCROXWMCX-FGZHOGPDSA-N 0 0 451.629 4.700 20 0 JJADRN COc1cccc(S(=O)(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1F ZINC001463222660 1068325333 /nfs/dbraw/zinc/32/53/33/1068325333.db2.gz USWXWYIPSAYLRM-OAQYLSRUSA-N 0 0 453.507 4.902 20 0 JJADRN Cc1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Br)[C@H](C)C2)cc1C ZINC001463226655 1068326889 /nfs/dbraw/zinc/32/68/89/1068326889.db2.gz CEQPRJBFQKEGRU-OAHLLOKOSA-N 0 0 457.821 4.619 20 0 JJADRN O=S(=O)(CCc1cccc(F)c1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001463225778 1068327354 /nfs/dbraw/zinc/32/73/54/1068327354.db2.gz XLAWWNOCCARSKO-UHFFFAOYSA-N 0 0 454.405 4.952 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1 ZINC001463227288 1068327614 /nfs/dbraw/zinc/32/76/14/1068327614.db2.gz HZJOMZSTTWTKIH-HSZRJFAPSA-N 0 0 457.596 4.562 20 0 JJADRN COc1cccc(C(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccc(OC)c2)c1 ZINC001463229684 1068328269 /nfs/dbraw/zinc/32/82/69/1068328269.db2.gz INDCGXXZAMRCHU-UHFFFAOYSA-N 0 0 451.466 4.791 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC001463230505 1068328823 /nfs/dbraw/zinc/32/88/23/1068328823.db2.gz HZSIPQCJCRFMKQ-INIZCTEOSA-N 0 0 459.424 4.843 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1Cl ZINC001463231440 1068329175 /nfs/dbraw/zinc/32/91/75/1068329175.db2.gz VBGCFQOMLXGOLH-QGZVFWFLSA-N 0 0 455.407 4.583 20 0 JJADRN CCOC(=O)c1ccc(F)c(S(=O)(=O)NCC2(Sc3ccc(C)cc3)CCCC2)c1 ZINC001463233355 1068329369 /nfs/dbraw/zinc/32/93/69/1068329369.db2.gz LGDOWNVTKGQZMT-UHFFFAOYSA-N 0 0 451.585 4.694 20 0 JJADRN O=S(=O)(c1ccc(Br)o1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463232737 1068329599 /nfs/dbraw/zinc/32/95/99/1068329599.db2.gz ACDMFPJOSZDLLL-NSHDSACASA-N 0 0 455.157 4.581 20 0 JJADRN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCOC[C@H]1CC1CCOCC1 ZINC001463234411 1068329853 /nfs/dbraw/zinc/32/98/53/1068329853.db2.gz RQTLTFQGRGUJPK-QGZVFWFLSA-N 0 0 451.350 4.838 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC3(C)C(C)(C)C3(C)C)nnc2-c2ccco2)cc1 ZINC001463234526 1068329994 /nfs/dbraw/zinc/32/99/94/1068329994.db2.gz BTQYRNGGDHVGTP-UHFFFAOYSA-N 0 0 454.596 4.959 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2C)c(OC2CCCC2)c1 ZINC001463237839 1068330936 /nfs/dbraw/zinc/33/09/36/1068330936.db2.gz LAZFSCFVTOHLLK-UHFFFAOYSA-N 0 0 454.386 4.566 20 0 JJADRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC001463238458 1068331382 /nfs/dbraw/zinc/33/13/82/1068331382.db2.gz MHXGYDQJQQGCLQ-XMMPIXPASA-N 0 0 450.539 4.515 20 0 JJADRN COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001463239123 1068331576 /nfs/dbraw/zinc/33/15/76/1068331576.db2.gz NVHYOIOEBQEPBQ-OPAMFIHVSA-N 0 0 459.951 4.961 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1Br ZINC001463243662 1068332846 /nfs/dbraw/zinc/33/28/46/1068332846.db2.gz NWUBRRFZRLEMKD-LBPRGKRZSA-N 0 0 457.166 4.574 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1 ZINC001463250032 1068334470 /nfs/dbraw/zinc/33/44/70/1068334470.db2.gz NOSWWLMWFADASJ-HSZRJFAPSA-N 0 0 459.518 4.509 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)Oc1ccccc1Cl ZINC001463252486 1068335365 /nfs/dbraw/zinc/33/53/65/1068335365.db2.gz SXKKSAUENXPEDT-GFCCVEGCSA-N 0 0 453.185 4.892 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001463253097 1068335657 /nfs/dbraw/zinc/33/56/57/1068335657.db2.gz VVQLQWRHUFDXKH-IBGZPJMESA-N 0 0 453.898 4.679 20 0 JJADRN O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC001463262278 1068337718 /nfs/dbraw/zinc/33/77/18/1068337718.db2.gz SDKPPBYBMWDMBU-QFBILLFUSA-N 0 0 455.548 4.555 20 0 JJADRN CSc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1Cl ZINC001463262903 1068337848 /nfs/dbraw/zinc/33/78/48/1068337848.db2.gz KSSQHVYLHNMBLL-IBGZPJMESA-N 0 0 454.404 4.915 20 0 JJADRN CC[C@H](CNS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)Oc1cccc(C(F)(F)F)c1 ZINC001463263607 1068338288 /nfs/dbraw/zinc/33/82/88/1068338288.db2.gz ONFCNDSUMJJWCK-GOSISDBHSA-N 0 0 455.498 4.778 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1Br ZINC001463267512 1068339795 /nfs/dbraw/zinc/33/97/95/1068339795.db2.gz NKCHCEIWGNVRHT-UHFFFAOYSA-N 0 0 457.777 4.504 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3(OC)CCCCCC3)C2)c2ccccc12 ZINC001463271715 1068340657 /nfs/dbraw/zinc/34/06/57/1068340657.db2.gz LOHJNHJZCXOHGX-HXUWFJFHSA-N 0 0 452.595 4.556 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1nc2c(cc(F)cc2Br)s1 ZINC001463275520 1068341316 /nfs/dbraw/zinc/34/13/16/1068341316.db2.gz DKKSLQCFZZJRQS-UHFFFAOYSA-N 0 0 453.318 4.881 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1C ZINC001463279826 1068342534 /nfs/dbraw/zinc/34/25/34/1068342534.db2.gz ZZISNGISASHVKL-UHFFFAOYSA-N 0 0 454.375 4.957 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC001463279048 1068342740 /nfs/dbraw/zinc/34/27/40/1068342740.db2.gz MDXXEVQPUNMLGM-UHFFFAOYSA-N 0 0 457.423 4.775 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1Br ZINC001463282566 1068343473 /nfs/dbraw/zinc/34/34/73/1068343473.db2.gz BVKCMTSBKXSKFA-INIZCTEOSA-N 0 0 450.276 4.874 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC001463289578 1068345975 /nfs/dbraw/zinc/34/59/75/1068345975.db2.gz XVPLCPHWQSURGQ-IUODEOHRSA-N 0 0 455.026 4.647 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC001463289580 1068346040 /nfs/dbraw/zinc/34/60/40/1068346040.db2.gz XVPLCPHWQSURGQ-SWLSCSKDSA-N 0 0 455.026 4.647 20 0 JJADRN Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cnc1C(F)F ZINC001463291721 1068346604 /nfs/dbraw/zinc/34/66/04/1068346604.db2.gz WESMVOUWDNVTER-UHFFFAOYSA-N 0 0 452.490 4.701 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001463294572 1068347490 /nfs/dbraw/zinc/34/74/90/1068347490.db2.gz NWOVGLGRVPQSMF-ZDUSSCGKSA-N 0 0 453.889 4.583 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC001463293768 1068347685 /nfs/dbraw/zinc/34/76/85/1068347685.db2.gz GBTOWZRSXKDGKE-DEOSSOPVSA-N 0 0 451.588 4.521 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC001463295797 1068347881 /nfs/dbraw/zinc/34/78/81/1068347881.db2.gz UXQDWHQIDWXLRK-FQEVSTJZSA-N 0 0 452.320 4.936 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC001463297123 1068348665 /nfs/dbraw/zinc/34/86/65/1068348665.db2.gz PGHZTHYFCRZZEW-UHFFFAOYSA-N 0 0 459.449 4.736 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001463297090 1068348752 /nfs/dbraw/zinc/34/87/52/1068348752.db2.gz OEHOMQNYVMMUFM-QHCPKHFHSA-N 0 0 455.624 4.871 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)NCc1ccccc1SC(F)(F)F ZINC001463299264 1068349067 /nfs/dbraw/zinc/34/90/67/1068349067.db2.gz PGWURGODBUNMNW-SOFGYWHQSA-N 0 0 453.223 4.826 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCc2cc(Br)ccc2OC)cc1C(C)C ZINC001463303857 1068350419 /nfs/dbraw/zinc/35/04/19/1068350419.db2.gz UQWZHNITWLNQEU-UHFFFAOYSA-N 0 0 456.402 4.848 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCOC12CCOCC2)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001463305139 1068350468 /nfs/dbraw/zinc/35/04/68/1068350468.db2.gz KJEFRTPEFNBLPM-OAHLLOKOSA-N 0 0 455.407 4.849 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001463304313 1068350582 /nfs/dbraw/zinc/35/05/82/1068350582.db2.gz AVJBRSKNQUOKLQ-ZDUSSCGKSA-N 0 0 458.930 4.721 20 0 JJADRN O=C(NCC[C@@H]1CCC(F)(F)C1)c1cc(I)ccc1Br ZINC001463308521 1068351680 /nfs/dbraw/zinc/35/16/80/1068351680.db2.gz SZSQMTPVBXMRET-VIFPVBQESA-N 0 0 458.084 4.609 20 0 JJADRN O=C(Oc1cccc(OS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1)c1ccccc1 ZINC001463309791 1068351742 /nfs/dbraw/zinc/35/17/42/1068351742.db2.gz RUSRHSQMZUHABZ-UHFFFAOYSA-N 0 0 452.406 4.713 20 0 JJADRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC001463312576 1068352580 /nfs/dbraw/zinc/35/25/80/1068352580.db2.gz SBTBVIHMBQCPGX-UHFFFAOYSA-N 0 0 454.434 4.977 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)c3cc(C)nc4cc(Br)ccc43)nc21 ZINC001463313785 1068352711 /nfs/dbraw/zinc/35/27/11/1068352711.db2.gz MOFAVVUBFCGOTQ-UHFFFAOYSA-N 0 0 453.296 4.611 20 0 JJADRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1C(=O)OC ZINC001463314552 1068353172 /nfs/dbraw/zinc/35/31/72/1068353172.db2.gz AUVAPACCUJURAL-GOSISDBHSA-N 0 0 453.560 4.921 20 0 JJADRN COCCN(CC(=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21)C(=O)OC(C)(C)C ZINC001463315231 1068353198 /nfs/dbraw/zinc/35/31/98/1068353198.db2.gz CRQAWROKVOFYMD-UHFFFAOYSA-N 0 0 450.885 4.522 20 0 JJADRN COc1cc2[nH]c(CCCNS(=O)(=O)c3ccc(Cl)c4ccccc43)cc2c(OC)c1 ZINC001463314737 1068353279 /nfs/dbraw/zinc/35/32/79/1068353279.db2.gz BNNYDABYDUNWIN-UHFFFAOYSA-N 0 0 458.967 4.903 20 0 JJADRN CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)c(I)c1 ZINC001463316656 1068353879 /nfs/dbraw/zinc/35/38/79/1068353879.db2.gz GDKXUIJLJDFARB-INIZCTEOSA-N 0 0 455.361 4.910 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001463317575 1068353925 /nfs/dbraw/zinc/35/39/25/1068353925.db2.gz HKNIPLWYKIICKL-CQSZACIVSA-N 0 0 450.760 4.991 20 0 JJADRN CC(C)C[C@H](C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)N1Cc2ccccc2C1=O ZINC001463320173 1068354360 /nfs/dbraw/zinc/35/43/60/1068354360.db2.gz LITABOOLOVVPMS-HSZRJFAPSA-N 0 0 452.982 4.832 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)nn1-c1cccc(Cl)c1 ZINC001463319828 1068354496 /nfs/dbraw/zinc/35/44/96/1068354496.db2.gz KSRIYIVZGJFTGP-UHFFFAOYSA-N 0 0 453.329 4.950 20 0 JJADRN Cc1c(Br)cc(C(=O)N2c3ccccc3CC[C@@H]2Cc2ccccc2)c(=O)n1C ZINC001463320634 1068354844 /nfs/dbraw/zinc/35/48/44/1068354844.db2.gz FQJVQSBPAFKDPX-LJQANCHMSA-N 0 0 451.364 4.661 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NC(CCc1ccccc1)CCc1ccccc1 ZINC001463321786 1068355640 /nfs/dbraw/zinc/35/56/40/1068355640.db2.gz OEMLHKRBVWLVFL-FCHUYYIVSA-N 0 0 455.542 4.650 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1 ZINC001463323735 1068356458 /nfs/dbraw/zinc/35/64/58/1068356458.db2.gz VXFLTEUVNBXBFN-QGZVFWFLSA-N 0 0 453.004 4.575 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1ccc(Br)cc1OC(F)F ZINC001463328016 1068357595 /nfs/dbraw/zinc/35/75/95/1068357595.db2.gz SMWOTRMCWABUOE-HNNXBMFYSA-N 0 0 455.255 4.573 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H](Cc2nccs2)C1 ZINC001463333332 1068359330 /nfs/dbraw/zinc/35/93/30/1068359330.db2.gz CSCFIBNULKVKAV-ZDUSSCGKSA-N 0 0 451.379 4.914 20 0 JJADRN O=C(CSc1ccc(Br)cc1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001463334917 1068359779 /nfs/dbraw/zinc/35/97/79/1068359779.db2.gz IMRZUXRHKNNVQT-UHFFFAOYSA-N 0 0 459.138 4.958 20 0 JJADRN O=C(Nc1ccc(-c2ccccc2F)nn1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001463333851 1068360003 /nfs/dbraw/zinc/36/00/03/1068360003.db2.gz LWJZGQMBHHGDNW-UHFFFAOYSA-N 0 0 456.250 4.622 20 0 JJADRN CC(C)(C)OC(=O)N(CCNS(=O)(=O)C[C@@H]1CCCCC1(F)F)C1CCCCCC1 ZINC001463335598 1068360534 /nfs/dbraw/zinc/36/05/34/1068360534.db2.gz JXYMKHVWGVXWAF-KRWDZBQOSA-N 0 0 452.608 4.691 20 0 JJADRN CCc1cc(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1Br ZINC001463339664 1068361675 /nfs/dbraw/zinc/36/16/75/1068361675.db2.gz PCBYIXXWNPNUIU-UHFFFAOYSA-N 0 0 451.405 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCc1ccc(Br)cc1)C2 ZINC001463338965 1068361853 /nfs/dbraw/zinc/36/18/53/1068361853.db2.gz XMMLPZOQPZLHSR-UHOSZYNNSA-N 0 0 451.405 4.676 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCc1ccc(Br)cc1)C2 ZINC001463338968 1068361929 /nfs/dbraw/zinc/36/19/29/1068361929.db2.gz XMMLPZOQPZLHSR-WDSOQIARSA-N 0 0 451.405 4.676 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1F)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001463342701 1068363037 /nfs/dbraw/zinc/36/30/37/1068363037.db2.gz KAFNHLQAMJMEIQ-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN Cc1cc(CN(CC(C)C)S(=O)(=O)c2c(C)cccc2Cl)nc(N2CCCCC2)n1 ZINC001463344945 1068364303 /nfs/dbraw/zinc/36/43/03/1068364303.db2.gz CRWPEOIIYNAUQT-UHFFFAOYSA-N 0 0 451.036 4.584 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)cc1 ZINC001463345216 1068365042 /nfs/dbraw/zinc/36/50/42/1068365042.db2.gz DTFSXDRIUNNZLE-DFBJGRDBSA-N 0 0 453.560 4.934 20 0 JJADRN CN1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)c2cc(Br)ccc21 ZINC001463347217 1068366080 /nfs/dbraw/zinc/36/60/80/1068366080.db2.gz XXBFJDVMSORLSM-UHFFFAOYSA-N 0 0 450.380 4.939 20 0 JJADRN CN([C@@H](CO)c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001463348842 1068366885 /nfs/dbraw/zinc/36/68/85/1068366885.db2.gz FVCXNQIVXJDJOA-SFHVURJKSA-N 0 0 454.773 4.610 20 0 JJADRN CN([C@H](CO)c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001463348837 1068366990 /nfs/dbraw/zinc/36/69/90/1068366990.db2.gz FVCXNQIVXJDJOA-GOSISDBHSA-N 0 0 454.773 4.610 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001463353133 1068367967 /nfs/dbraw/zinc/36/79/67/1068367967.db2.gz QRBDAVXGZUOSKC-MRVPVSSYSA-N 0 0 457.148 4.943 20 0 JJADRN O=C(Nc1cccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)c1)c1ccccc1 ZINC001463352216 1068368161 /nfs/dbraw/zinc/36/81/61/1068368161.db2.gz UKPAEXNZAPLEAJ-UHFFFAOYSA-N 0 0 457.964 4.681 20 0 JJADRN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC001463355648 1068369201 /nfs/dbraw/zinc/36/92/01/1068369201.db2.gz DXQLTOCOOMUKLS-CQSZACIVSA-N 0 0 457.905 4.762 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CCC[C@H]3C(F)F)nnc2-c2ccc(C)cc2)cc1 ZINC001463356701 1068369439 /nfs/dbraw/zinc/36/94/39/1068369439.db2.gz GYLJNGOCWKZZFB-IBGZPJMESA-N 0 0 458.534 4.600 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC001463358042 1068370331 /nfs/dbraw/zinc/37/03/31/1068370331.db2.gz MJMOURGJEOUSQB-SFHVURJKSA-N 0 0 451.405 4.947 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(C)c1-c1ccccc1)CC2 ZINC001463360227 1068371161 /nfs/dbraw/zinc/37/11/61/1068371161.db2.gz QLLYFZUFSQYFHF-QFIPXVFZSA-N 0 0 452.599 4.585 20 0 JJADRN COC(=O)c1ccc2c(n1)CN(C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)CC2 ZINC001463362162 1068371435 /nfs/dbraw/zinc/37/14/35/1068371435.db2.gz XNUALKJDPCCGLK-QFIPXVFZSA-N 0 0 452.963 4.940 20 0 JJADRN CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 ZINC001463362201 1068371755 /nfs/dbraw/zinc/37/17/55/1068371755.db2.gz XIIXVDWIWPWEJP-XMMPIXPASA-N 0 0 453.604 4.844 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC001463365653 1068373552 /nfs/dbraw/zinc/37/35/52/1068373552.db2.gz ZXVKPPLYBUEUKE-SFTDATJTSA-N 0 0 455.480 4.879 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001463366963 1068373668 /nfs/dbraw/zinc/37/36/68/1068373668.db2.gz FAHXQYUXVNIJNO-LEWJYISDSA-N 0 0 459.631 4.598 20 0 JJADRN O=C(c1ccc(I)c(F)c1)N(Cc1cccs1)Cc1ccncc1 ZINC001463366743 1068373993 /nfs/dbraw/zinc/37/39/93/1068373993.db2.gz PPGCEUBCHUTMHO-UHFFFAOYSA-N 0 0 452.292 4.729 20 0 JJADRN CCC[C@](C)(NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001463366460 1068374055 /nfs/dbraw/zinc/37/40/55/1068374055.db2.gz NIJVPELSTSYKKJ-KKSFZXQISA-N 0 0 452.414 4.691 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCCc1nc(Cc2ccccc2)no1 ZINC001463371758 1068374980 /nfs/dbraw/zinc/37/49/80/1068374980.db2.gz UOXDBYKWUKTGRG-UHFFFAOYSA-N 0 0 457.317 4.903 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C2 ZINC001463371047 1068375137 /nfs/dbraw/zinc/37/51/37/1068375137.db2.gz IXZUDHWAFDDQBJ-RSXGOPAZSA-N 0 0 456.586 4.929 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)c1cnn(-c3ccc(Br)cc3)c1C)C2 ZINC001463370954 1068375176 /nfs/dbraw/zinc/37/51/76/1068375176.db2.gz IJYVWBNVOTZDDK-SFHVURJKSA-N 0 0 454.368 4.629 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001463372915 1068375684 /nfs/dbraw/zinc/37/56/84/1068375684.db2.gz CDEQZFHOEXNXKS-SJLPKXTDSA-N 0 0 451.869 4.775 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001463374222 1068375974 /nfs/dbraw/zinc/37/59/74/1068375974.db2.gz NIUDCZJNMHKDFC-IBGZPJMESA-N 0 0 459.486 4.566 20 0 JJADRN Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)nn1-c1cccc(C(F)(F)F)c1 ZINC001463374885 1068376314 /nfs/dbraw/zinc/37/63/14/1068376314.db2.gz OHNFXDSCHUYZGS-SBUREZEXSA-N 0 0 478.515 4.719 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001463375801 1068376707 /nfs/dbraw/zinc/37/67/07/1068376707.db2.gz NUZJSQUQTMNZHZ-XMMPIXPASA-N 0 0 458.986 4.883 20 0 JJADRN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3C)CC2)c1 ZINC001463378473 1068377263 /nfs/dbraw/zinc/37/72/63/1068377263.db2.gz SZWJIGCROWMAKW-UHFFFAOYSA-N 0 0 457.821 4.539 20 0 JJADRN O=S(=O)(c1csc(-c2ccccc2)n1)N(Cc1csc(Br)c1)C1CC1 ZINC001463377261 1068377317 /nfs/dbraw/zinc/37/73/17/1068377317.db2.gz ULSCORCLYIARJN-UHFFFAOYSA-N 0 0 455.424 4.987 20 0 JJADRN CCOc1cc(Cl)ccc1CNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001463379724 1068377630 /nfs/dbraw/zinc/37/76/30/1068377630.db2.gz REQRBSNSGOQNIM-UHFFFAOYSA-N 0 0 457.148 4.772 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3OCC)ccc2s1 ZINC001463379720 1068377760 /nfs/dbraw/zinc/37/77/60/1068377760.db2.gz RDWDCWGEAYHTLK-UHFFFAOYSA-N 0 0 453.969 4.609 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)Oc2ccc(-n3ncc4ccccc43)cc2)c1 ZINC001463380957 1068378668 /nfs/dbraw/zinc/37/86/68/1068378668.db2.gz CGDJONKDGMOHKY-UHFFFAOYSA-N 0 0 459.321 4.564 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccnn1CCc1ccccc1 ZINC001463380895 1068378727 /nfs/dbraw/zinc/37/87/27/1068378727.db2.gz PLQKOUHOSIWUQV-UHFFFAOYSA-N 0 0 454.905 4.715 20 0 JJADRN Cc1nc([C@H]2CCOC2)sc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463381339 1068378769 /nfs/dbraw/zinc/37/87/69/1068378769.db2.gz QZISTEFBTPZEPS-JTQLQIEISA-N 0 0 451.923 4.545 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 ZINC001463383464 1068379104 /nfs/dbraw/zinc/37/91/04/1068379104.db2.gz SNUYARYILWROIW-CVDDXQKOSA-N 0 0 479.448 4.870 20 0 JJADRN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001463384380 1068379655 /nfs/dbraw/zinc/37/96/55/1068379655.db2.gz VXELGEQNUNONQP-UHFFFAOYSA-N 0 0 455.424 4.596 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546138691 1068379674 /nfs/dbraw/zinc/37/96/74/1068379674.db2.gz KDLIIJKCWNOVLK-OAQYLSRUSA-N 0 0 498.672 4.691 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1C(C)C ZINC001463392980 1068382240 /nfs/dbraw/zinc/38/22/40/1068382240.db2.gz NPCLMGHLHBEWGO-UHFFFAOYSA-N 0 0 454.633 4.524 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001463393945 1068382866 /nfs/dbraw/zinc/38/28/66/1068382866.db2.gz LFKNQJWRTUCLND-IQGLISFBSA-N 0 0 459.587 4.687 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC001463395814 1068383514 /nfs/dbraw/zinc/38/35/14/1068383514.db2.gz PNGOPNDPTLGACP-UHFFFAOYSA-N 0 0 455.605 4.783 20 0 JJADRN COc1cc(F)c(C(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)c(Cl)c1 ZINC001463398797 1068384195 /nfs/dbraw/zinc/38/41/95/1068384195.db2.gz YLGUYEZJMHBVBX-OAHLLOKOSA-N 0 0 450.898 4.602 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1cccc(-n2cccn2)c1)C(F)(F)F ZINC001463404836 1068385816 /nfs/dbraw/zinc/38/58/16/1068385816.db2.gz USYOMJOELBFJEL-NRFANRHFSA-N 0 0 453.468 4.751 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001463408080 1068387257 /nfs/dbraw/zinc/38/72/57/1068387257.db2.gz KITXALJGVSJJLZ-BDJLRTHQSA-N 0 0 452.292 4.522 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCc3cc(Br)cc(C)c3C2)c(Br)c1 ZINC001463409893 1068387666 /nfs/dbraw/zinc/38/76/66/1068387666.db2.gz HNNYKOBKTIQMJH-UHFFFAOYSA-N 0 0 459.203 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC001463410588 1068388188 /nfs/dbraw/zinc/38/81/88/1068388188.db2.gz KEBDCSMGBNGQGK-NRFANRHFSA-N 0 0 455.368 4.984 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001463410267 1068388232 /nfs/dbraw/zinc/38/82/32/1068388232.db2.gz JXKVOOWPJFVXOG-UHFFFAOYSA-N 0 0 456.377 4.641 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1csnc1-c1ccccc1 ZINC001463410902 1068388262 /nfs/dbraw/zinc/38/82/62/1068388262.db2.gz KANFNNDTBKVVLQ-AWEZNQCLSA-N 0 0 454.404 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)CO[C@H]2CCCc3ccccc32)n1 ZINC001463412664 1068389013 /nfs/dbraw/zinc/38/90/13/1068389013.db2.gz GUBFJYJAJYWNHD-PMACEKPBSA-N 0 0 452.555 4.581 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1F ZINC001463417241 1068391234 /nfs/dbraw/zinc/39/12/34/1068391234.db2.gz RFDYVSPORBYCEZ-FDPSAONLSA-N 0 0 456.518 4.738 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1F ZINC001463417239 1068391304 /nfs/dbraw/zinc/39/13/04/1068391304.db2.gz RFDYVSPORBYCEZ-DUVHGLKDSA-N 0 0 456.518 4.738 20 0 JJADRN COc1ccc2oc(C(=O)Nc3ccnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)c(C)c2c1 ZINC001463418225 1068391705 /nfs/dbraw/zinc/39/17/05/1068391705.db2.gz WTAFTFQABNYCHF-KRWDZBQOSA-N 0 0 452.511 4.864 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC001463422779 1068392746 /nfs/dbraw/zinc/39/27/46/1068392746.db2.gz MOFVZPSEFRKQRK-UHFFFAOYSA-N 0 0 455.477 4.782 20 0 JJADRN COc1c(F)cc(Br)cc1S(=O)(=O)Oc1cccc(Oc2cccnc2)c1 ZINC001463423403 1068392813 /nfs/dbraw/zinc/39/28/13/1068392813.db2.gz OXBQJOQUJQOTNV-UHFFFAOYSA-N 0 0 454.273 4.552 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCCC[C@H]3c3ccc(C(=O)OC)n3C)cs2)cc1 ZINC001463425059 1068393263 /nfs/dbraw/zinc/39/32/63/1068393263.db2.gz QZXHOEPMLSOATR-NRFANRHFSA-N 0 0 451.592 4.794 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)c2C1 ZINC001463427141 1068393384 /nfs/dbraw/zinc/39/33/84/1068393384.db2.gz OYYHRYYJKXLOFU-CVEARBPZSA-N 0 0 452.338 4.650 20 0 JJADRN O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001463428399 1068393649 /nfs/dbraw/zinc/39/36/49/1068393649.db2.gz KDEFORPAYZBMFF-LSDHHAIUSA-N 0 0 451.304 4.817 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001463427693 1068393666 /nfs/dbraw/zinc/39/36/66/1068393666.db2.gz YUSDZIDPAFZEIO-MRXNPFEDSA-N 0 0 455.580 4.956 20 0 JJADRN Cn1cc(-c2csc(NC(=O)c3occc3Br)c2C(=O)OC(C)(C)C)cn1 ZINC001463427698 1068393876 /nfs/dbraw/zinc/39/38/76/1068393876.db2.gz YVLWZPBJSXRUCN-UHFFFAOYSA-N 0 0 452.330 4.712 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)cc12 ZINC001463436121 1068397188 /nfs/dbraw/zinc/39/71/88/1068397188.db2.gz NNQCKNAKNHWRCX-QFBILLFUSA-N 0 0 453.486 4.761 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCOC[C@@H]3CC(=O)c3cccs3)cc2)c1 ZINC001463436224 1068397256 /nfs/dbraw/zinc/39/72/56/1068397256.db2.gz NWXJAHQYJSZNTK-SFHVURJKSA-N 0 0 457.573 4.511 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)[C@H](C)CCO1 ZINC001463437147 1068397280 /nfs/dbraw/zinc/39/72/80/1068397280.db2.gz VPFZRBZQQUHUCJ-IAGOWNOFSA-N 0 0 454.368 4.941 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1 ZINC001463442837 1068398698 /nfs/dbraw/zinc/39/86/98/1068398698.db2.gz ZJIHCKMLOWGGQX-LEWJYISDSA-N 0 0 452.396 4.919 20 0 JJADRN Cc1cc(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)nn1-c1ccccc1 ZINC001463444411 1068399135 /nfs/dbraw/zinc/39/91/35/1068399135.db2.gz KOWXZKYFTRVLQE-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001546139102 1068399182 /nfs/dbraw/zinc/39/91/82/1068399182.db2.gz ADAMCYWQYXGWPH-SNAWJCMRSA-N 0 0 455.502 4.563 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC[C@H](C)c2ccccc21 ZINC001463446527 1068399683 /nfs/dbraw/zinc/39/96/83/1068399683.db2.gz MLNGRMBUJUXPHJ-NPMXOYFQSA-N 0 0 457.452 4.587 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001463446864 1068399728 /nfs/dbraw/zinc/39/97/28/1068399728.db2.gz IXDKMNZSFGCLCM-JTQLQIEISA-N 0 0 453.374 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CC=C(c2ccc(OS(=O)(=O)c3cccnc3Cl)cc2)CC1 ZINC001463448850 1068400404 /nfs/dbraw/zinc/40/04/04/1068400404.db2.gz FVEAYLDRXARJII-UHFFFAOYSA-N 0 0 450.944 4.527 20 0 JJADRN O=S(=O)(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)ccc1Br ZINC001463449633 1068400863 /nfs/dbraw/zinc/40/08/63/1068400863.db2.gz TYQPMAYXYGSMMY-SFHVURJKSA-N 0 0 455.736 4.705 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)C(F)(F)c1cc(F)cc(F)c1)CC2 ZINC001463450465 1068400900 /nfs/dbraw/zinc/40/09/00/1068400900.db2.gz JECCHIFLLKSJFF-HNNXBMFYSA-N 0 0 458.496 4.990 20 0 JJADRN O=S(=O)(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(Cl)ccc1Br ZINC001463449630 1068400986 /nfs/dbraw/zinc/40/09/86/1068400986.db2.gz TYQPMAYXYGSMMY-GOSISDBHSA-N 0 0 455.736 4.705 20 0 JJADRN COC(=O)c1cc(F)cc(S(=O)(=O)NCC2(c3ccccc3Cl)CCCCC2)c1F ZINC001463450905 1068401675 /nfs/dbraw/zinc/40/16/75/1068401675.db2.gz XSSHRJFQVZFIPK-UHFFFAOYSA-N 0 0 457.926 4.585 20 0 JJADRN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC001463452640 1068402080 /nfs/dbraw/zinc/40/20/80/1068402080.db2.gz RLMCFDJGBFCFNH-KRWDZBQOSA-N 0 0 456.388 4.606 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)Cc1ccc(OC(F)F)cc1)CC2 ZINC001463453505 1068402901 /nfs/dbraw/zinc/40/29/01/1068402901.db2.gz TUMIHTQQFWPUTQ-GOSISDBHSA-N 0 0 452.542 4.764 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1 ZINC001463452672 1068403017 /nfs/dbraw/zinc/40/30/17/1068403017.db2.gz QGVOMQPGVDUSPS-GOEBONIOSA-N 0 0 459.564 4.536 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC[C@@H](C)c2ccccc21 ZINC001463457462 1068404974 /nfs/dbraw/zinc/40/49/74/1068404974.db2.gz XOAFYAWVNQVONW-MYYSRTQBSA-N 0 0 454.523 4.557 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC001463457745 1068406008 /nfs/dbraw/zinc/40/60/08/1068406008.db2.gz HZMBMCGSEABNNF-REWPJTCUSA-N 0 0 470.635 4.775 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC001463462991 1068407705 /nfs/dbraw/zinc/40/77/05/1068407705.db2.gz VJKIITVLVXSNRC-FQEVSTJZSA-N 0 0 455.601 4.681 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463463805 1068408271 /nfs/dbraw/zinc/40/82/71/1068408271.db2.gz YOPVSQLROJELOA-UHFFFAOYSA-N 0 0 450.894 4.691 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC001463469415 1068411500 /nfs/dbraw/zinc/41/15/00/1068411500.db2.gz NTSGQOOTBMGJKB-UHFFFAOYSA-N 0 0 459.340 4.656 20 0 JJADRN C[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F ZINC001463469551 1068411515 /nfs/dbraw/zinc/41/15/15/1068411515.db2.gz SFWYEJICPKELCK-QAPCUYQASA-N 0 0 457.452 4.538 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc(Cl)c2O1 ZINC001463470538 1068412236 /nfs/dbraw/zinc/41/22/36/1068412236.db2.gz LOEQABUHJFTMIJ-HUUCEWRRSA-N 0 0 456.391 4.797 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)cc2c1C ZINC001463470721 1068412244 /nfs/dbraw/zinc/41/22/44/1068412244.db2.gz JULPTUBMZXSPLM-VBKZILBWSA-N 0 0 458.605 4.773 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc(Cl)c2O1 ZINC001463470244 1068412368 /nfs/dbraw/zinc/41/23/68/1068412368.db2.gz LOEQABUHJFTMIJ-GJZGRUSLSA-N 0 0 456.391 4.797 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c2ncccc12 ZINC001463471111 1068412981 /nfs/dbraw/zinc/41/29/81/1068412981.db2.gz KRZCRNPKZZMKES-FQEVSTJZSA-N 0 0 453.951 4.554 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)nnc1-c1cccc(C)c1 ZINC001463472093 1068413024 /nfs/dbraw/zinc/41/30/24/1068413024.db2.gz LXCLYOGUYCJSNE-HXUWFJFHSA-N 0 0 452.628 4.849 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001463486208 1068416327 /nfs/dbraw/zinc/41/63/27/1068416327.db2.gz ZELQFUGBIOHQTH-UHFFFAOYSA-N 0 0 454.636 4.666 20 0 JJADRN CN(CC[C@H]1CCCCN1C(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001463489048 1068417207 /nfs/dbraw/zinc/41/72/07/1068417207.db2.gz DVRXJDQPVMXROA-GOSISDBHSA-N 0 0 451.995 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(-n3cnnc3)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463492249 1068418428 /nfs/dbraw/zinc/41/84/28/1068418428.db2.gz XHCSQAHGYWPPMD-RTWAWAEBSA-N 0 0 467.957 4.510 20 0 JJADRN COc1cc(CNC(=O)c2cc(I)c(C)cc2C)cc(Cl)c1OC ZINC001463496965 1068419747 /nfs/dbraw/zinc/41/97/47/1068419747.db2.gz SFPGPJCHFRXHNU-UHFFFAOYSA-N 0 0 459.711 4.509 20 0 JJADRN CCCOc1ccc(CNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)c(C)c1 ZINC001463499399 1068419791 /nfs/dbraw/zinc/41/97/91/1068419791.db2.gz KFGOTPQARNRLEI-NRFANRHFSA-N 0 0 452.414 4.523 20 0 JJADRN C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463497602 1068419883 /nfs/dbraw/zinc/41/98/83/1068419883.db2.gz JURNYRBAXOPNRN-IUCAKERBSA-N 0 0 454.230 4.819 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1sc2cccc(F)c2c1C ZINC001463500018 1068420487 /nfs/dbraw/zinc/42/04/87/1068420487.db2.gz SDUIQTOMGRJMDL-OAHLLOKOSA-N 0 0 456.605 4.759 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC001463503842 1068421163 /nfs/dbraw/zinc/42/11/63/1068421163.db2.gz GLIBWEWHESUHSQ-UHFFFAOYSA-N 0 0 451.498 4.635 20 0 JJADRN COc1ccc(S(=O)(=O)Oc2cc(C)c(Br)c(C)c2)cc1Br ZINC001463505106 1068421914 /nfs/dbraw/zinc/42/19/14/1068421914.db2.gz KPMXQJIPLSAXEM-UHFFFAOYSA-N 0 0 450.148 4.605 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC001463506143 1068422533 /nfs/dbraw/zinc/42/25/33/1068422533.db2.gz RJLHRBQABKFBIX-INIZCTEOSA-N 0 0 451.919 4.843 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N(C)C ZINC001463505581 1068422589 /nfs/dbraw/zinc/42/25/89/1068422589.db2.gz ZICBQXRFTRAJRV-ZHRRBRCNSA-N 0 0 457.615 4.582 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3cccc(F)c32)cc1C(F)(F)F ZINC001463508331 1068423261 /nfs/dbraw/zinc/42/32/61/1068423261.db2.gz DCIDFWWYSWPLRV-UHFFFAOYSA-N 0 0 457.445 4.652 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001463510396 1068423975 /nfs/dbraw/zinc/42/39/75/1068423975.db2.gz GFLHPOIQKCRTKI-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCC(c3ncc(C)s3)CC2)cc1C(C)C ZINC001463512058 1068424580 /nfs/dbraw/zinc/42/45/80/1068424580.db2.gz KPMLOFOLRKNUIL-UHFFFAOYSA-N 0 0 452.642 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc4ccccc4n3CC(F)(F)F)CCC[C@@H]12 ZINC001463512302 1068424644 /nfs/dbraw/zinc/42/46/44/1068424644.db2.gz NFSPDJYNKDHTDY-GCJKJVERSA-N 0 0 451.489 4.866 20 0 JJADRN O=C(N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522936 1068427283 /nfs/dbraw/zinc/42/72/83/1068427283.db2.gz BQBQQCCDFRXNOS-XMMPIXPASA-N 0 0 455.480 4.597 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)[C@H]1c1ccc(F)cc1 ZINC001463521987 1068427328 /nfs/dbraw/zinc/42/73/28/1068427328.db2.gz NMBLGADYIYXGSY-NZQKXSOJSA-N 0 0 467.541 4.672 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc2ccccc2s1 ZINC001463522601 1068427434 /nfs/dbraw/zinc/42/74/34/1068427434.db2.gz ARIGJCJYKICZRT-PKOBYXMFSA-N 0 0 458.605 4.540 20 0 JJADRN O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(Br)c(Cl)c1Cl ZINC001463526736 1068428108 /nfs/dbraw/zinc/42/81/08/1068428108.db2.gz DKVRSDQGXCUKJC-LLVKDONJSA-N 0 0 455.132 4.697 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463531545 1068429336 /nfs/dbraw/zinc/42/93/36/1068429336.db2.gz AWEBDZYUDPRYEJ-GFCCVEGCSA-N 0 0 450.320 4.999 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463532953 1068430977 /nfs/dbraw/zinc/43/09/77/1068430977.db2.gz IYBQRNXUIKDBCJ-UHFFFAOYSA-N 0 0 454.333 4.848 20 0 JJADRN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC001463535094 1068431405 /nfs/dbraw/zinc/43/14/05/1068431405.db2.gz LAISZZXPNSCMQZ-UHFFFAOYSA-N 0 0 456.315 4.731 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)ccc2nc1Cl ZINC001463535032 1068431423 /nfs/dbraw/zinc/43/14/23/1068431423.db2.gz DFLXFCDZHSXCOO-IBGZPJMESA-N 0 0 455.338 4.751 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)c(N)cc2F)c1 ZINC001463536100 1068432164 /nfs/dbraw/zinc/43/21/64/1068432164.db2.gz NNHDSNHVGPZXCF-UHFFFAOYSA-N 0 0 453.861 4.653 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)cc1OC ZINC001463538124 1068433088 /nfs/dbraw/zinc/43/30/88/1068433088.db2.gz ILTMXDSZXNVBCQ-UHFFFAOYSA-N 0 0 457.933 4.833 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1c[nH]nc1-c1cccnc1 ZINC001463537229 1068433196 /nfs/dbraw/zinc/43/31/96/1068433196.db2.gz RQBMEJRGNPOIPO-UHFFFAOYSA-N 0 0 451.408 4.995 20 0 JJADRN Cc1cccc(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)c1Br ZINC001463538511 1068433789 /nfs/dbraw/zinc/43/37/89/1068433789.db2.gz MMJIIVONYZYSQU-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN O=C(Nc1cc(Cl)ccc1NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccco1 ZINC001463540282 1068434605 /nfs/dbraw/zinc/43/46/05/1068434605.db2.gz YEERFXCZCLLXDY-INIZCTEOSA-N 0 0 458.301 4.830 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N(C)Cc3ccccc3Br)cc2)c1 ZINC001463542152 1068435313 /nfs/dbraw/zinc/43/53/13/1068435313.db2.gz QBIMXZVFPQLYRK-UHFFFAOYSA-N 0 0 451.364 4.960 20 0 JJADRN COc1c(C)cc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1C ZINC001463543128 1068436003 /nfs/dbraw/zinc/43/60/03/1068436003.db2.gz URIYMUYMQRIBRE-LJQANCHMSA-N 0 0 452.414 4.764 20 0 JJADRN O=C(OCc1ccccc1)[C@H](CNS(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC001463543942 1068436024 /nfs/dbraw/zinc/43/60/24/1068436024.db2.gz TUWKGKNDPBTCOB-SFZDQAMXSA-N 0 0 455.963 4.757 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c1 ZINC001463545600 1068436735 /nfs/dbraw/zinc/43/67/35/1068436735.db2.gz ZTSCXQXVUGXVKF-IBGZPJMESA-N 0 0 450.398 4.732 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001463547760 1068438154 /nfs/dbraw/zinc/43/81/54/1068438154.db2.gz RNBPACXOIOMKBX-UHFFFAOYSA-N 0 0 452.576 4.573 20 0 JJADRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c(C(C)C)c1 ZINC001463552405 1068438988 /nfs/dbraw/zinc/43/89/88/1068438988.db2.gz XJUGPOPDVYNDQF-UHFFFAOYSA-N 0 0 451.677 4.871 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)c(C)c1Cl ZINC001463557348 1068440891 /nfs/dbraw/zinc/44/08/91/1068440891.db2.gz ZKDWFLIRAULZPP-CQSZACIVSA-N 0 0 454.372 4.965 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)NC2(Cc3cccc(F)c3)CCC2)cc1)c1ccc(F)cc1 ZINC001463558007 1068441837 /nfs/dbraw/zinc/44/18/37/1068441837.db2.gz WWUPFBBCWHAKQE-UHFFFAOYSA-N 0 0 456.514 4.661 20 0 JJADRN CC1(C)[C@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)C1(F)F ZINC001463565863 1068447395 /nfs/dbraw/zinc/44/73/95/1068447395.db2.gz TWYOSJCLRVNHJV-NEPJUHHUSA-N 0 0 450.267 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cccc2ccncc21 ZINC001463566565 1068447484 /nfs/dbraw/zinc/44/74/84/1068447484.db2.gz BVTRDQSRHFHKDX-NRFANRHFSA-N 0 0 453.564 4.938 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC001463566528 1068447589 /nfs/dbraw/zinc/44/75/89/1068447589.db2.gz BNJMLUIPWUIDQN-QFIPXVFZSA-N 0 0 458.580 4.931 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc2ncccc2c1 ZINC001463568878 1068448994 /nfs/dbraw/zinc/44/89/94/1068448994.db2.gz MZHPGOOTVIPYFG-QFIPXVFZSA-N 0 0 453.564 4.938 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC001463568414 1068449050 /nfs/dbraw/zinc/44/90/50/1068449050.db2.gz FUDDLYPMMSRGJK-UHFFFAOYSA-N 0 0 451.430 4.549 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC001463569016 1068449748 /nfs/dbraw/zinc/44/97/48/1068449748.db2.gz ALAGSTCNVFWFLE-UHFFFAOYSA-N 0 0 458.971 4.547 20 0 JJADRN Cc1csc(S(=O)(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 ZINC001463580156 1068454564 /nfs/dbraw/zinc/45/45/64/1068454564.db2.gz UTOPFKPZZVNAGZ-CQSZACIVSA-N 0 0 459.433 4.856 20 0 JJADRN COc1ccsc1S(=O)(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001463584229 1068456978 /nfs/dbraw/zinc/45/69/78/1068456978.db2.gz NWKCBMDPUPYDGB-UHFFFAOYSA-N 0 0 456.383 4.812 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463587261 1068457489 /nfs/dbraw/zinc/45/74/89/1068457489.db2.gz JEKYIHMWTZAKTJ-QOKNQOGYSA-N 0 0 456.391 4.633 20 0 JJADRN CSc1nc2ccc(NC(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001463588726 1068458171 /nfs/dbraw/zinc/45/81/71/1068458171.db2.gz BYSZCUUOHUXOOA-LBPRGKRZSA-N 0 0 459.597 4.718 20 0 JJADRN CC1(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CCCCC1 ZINC001463590770 1068458859 /nfs/dbraw/zinc/45/88/59/1068458859.db2.gz SRWQUPAHRBVGAM-UHFFFAOYSA-N 0 0 458.580 4.948 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463600310 1068460882 /nfs/dbraw/zinc/46/08/82/1068460882.db2.gz UNDUEFUUHLFRAE-AWEZNQCLSA-N 0 0 459.033 4.870 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)nc1F ZINC001463601448 1068461940 /nfs/dbraw/zinc/46/19/40/1068461940.db2.gz WHGYOUAREOBUOL-UHFFFAOYSA-N 0 0 459.729 4.800 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC001463606446 1068463332 /nfs/dbraw/zinc/46/33/32/1068463332.db2.gz IUVCLAHYBRBRJL-LBPRGKRZSA-N 0 0 452.916 4.835 20 0 JJADRN CC(C)(C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001463606043 1068463382 /nfs/dbraw/zinc/46/33/82/1068463382.db2.gz WNYTZFVPULBKTE-UHFFFAOYSA-N 0 0 454.920 4.860 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001463608851 1068464654 /nfs/dbraw/zinc/46/46/54/1068464654.db2.gz OZVZHYDWMKGBPE-UHFFFAOYSA-N 0 0 456.999 4.685 20 0 JJADRN O=S(=O)(NCc1ccc2c(n1)CCCC2)c1ccc(Br)c(Cl)c1Cl ZINC001463612497 1068466051 /nfs/dbraw/zinc/46/60/51/1068466051.db2.gz CURPHODZVWODKR-UHFFFAOYSA-N 0 0 450.185 4.508 20 0 JJADRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001463613611 1068467052 /nfs/dbraw/zinc/46/70/52/1068467052.db2.gz RXDIETACKUCRGG-UHFFFAOYSA-N 0 0 451.394 4.622 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001463612793 1068467115 /nfs/dbraw/zinc/46/71/15/1068467115.db2.gz PWRSTPIBXSCPAE-GOSISDBHSA-N 0 0 456.011 4.592 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001463619493 1068468602 /nfs/dbraw/zinc/46/86/02/1068468602.db2.gz BHOCIMHNNMENFX-GHTZIAJQSA-N 0 0 467.566 4.970 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC001463619739 1068468625 /nfs/dbraw/zinc/46/86/25/1068468625.db2.gz DOZYUMGPLYSYCY-QGZVFWFLSA-N 0 0 455.555 4.922 20 0 JJADRN CCCOc1ccc(S(=O)(=O)Oc2ccc(-c3nnc4n3CCCC4)cc2)cc1C(C)C ZINC001463620169 1068469297 /nfs/dbraw/zinc/46/92/97/1068469297.db2.gz ZHWULVDPLTVMLX-UHFFFAOYSA-N 0 0 455.580 4.961 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Br)c(Cl)c1Cl ZINC001463621270 1068469328 /nfs/dbraw/zinc/46/93/28/1068469328.db2.gz AAFPINUJRXAJSB-RDDDGLTNSA-N 0 0 457.123 4.869 20 0 JJADRN O=C(CCC[C@@H](O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463622822 1068469934 /nfs/dbraw/zinc/46/99/34/1068469934.db2.gz DOVPFKNBFJKYAP-JOCHJYFZSA-N 0 0 458.967 4.983 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cc(F)ccc1O ZINC001463624809 1068471415 /nfs/dbraw/zinc/47/14/15/1068471415.db2.gz KQVLIRIBLNYSIY-UHFFFAOYSA-N 0 0 454.401 4.603 20 0 JJADRN O=S(=O)(CCc1ccccc1Cl)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC001463625037 1068471519 /nfs/dbraw/zinc/47/15/19/1068471519.db2.gz KQMDBWRJGHPYTM-UHFFFAOYSA-N 0 0 456.007 4.863 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001463625857 1068472063 /nfs/dbraw/zinc/47/20/63/1068472063.db2.gz VFFXEIMAGXBTPV-KBAYOESNSA-N 0 0 453.963 4.652 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](c3cnn(C)c3)C(F)(F)F)cc2)cc1 ZINC001463625710 1068472143 /nfs/dbraw/zinc/47/21/43/1068472143.db2.gz SMLXVILVWRQEEJ-SFHVURJKSA-N 0 0 457.499 4.516 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463627686 1068473635 /nfs/dbraw/zinc/47/36/35/1068473635.db2.gz UENPOZYCYZIGHE-KRWDZBQOSA-N 0 0 458.967 4.993 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(c2ccc(C)c(C)c2)CCC1 ZINC001463627117 1068473691 /nfs/dbraw/zinc/47/36/91/1068473691.db2.gz SJDATDGMFSWBBC-UHFFFAOYSA-N 0 0 456.391 4.797 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463627687 1068473708 /nfs/dbraw/zinc/47/37/08/1068473708.db2.gz UENPOZYCYZIGHE-QGZVFWFLSA-N 0 0 458.967 4.993 20 0 JJADRN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c1)C2 ZINC001463628949 1068474932 /nfs/dbraw/zinc/47/49/32/1068474932.db2.gz YJQQKTVNESSDCK-QFIPXVFZSA-N 0 0 456.951 4.700 20 0 JJADRN CCCN([C@@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463629462 1068475109 /nfs/dbraw/zinc/47/51/09/1068475109.db2.gz GRLNZCJMHVBPRM-AWEZNQCLSA-N 0 0 452.001 4.686 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2C)c(Br)c1 ZINC001463637032 1068477682 /nfs/dbraw/zinc/47/76/82/1068477682.db2.gz ULXNVDNXJLQFSH-LJQANCHMSA-N 0 0 452.414 4.744 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC001463637506 1068477689 /nfs/dbraw/zinc/47/76/89/1068477689.db2.gz PMFCCZFUMYJUKU-SNVBAGLBSA-N 0 0 453.185 4.945 20 0 JJADRN O=C(NCc1cccc(OS(=O)(=O)CCC2Cc3ccccc3C2)c1)Nc1ccccc1 ZINC001463638687 1068477697 /nfs/dbraw/zinc/47/76/97/1068477697.db2.gz YSZNCPSPRXJDAX-UHFFFAOYSA-N 0 0 450.560 4.522 20 0 JJADRN O=S(=O)(CCc1ccc(Cl)cc1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001463640220 1068478171 /nfs/dbraw/zinc/47/81/71/1068478171.db2.gz QJAVNXYAEUETMC-IBGZPJMESA-N 0 0 457.821 4.551 20 0 JJADRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc1 ZINC001463639815 1068478366 /nfs/dbraw/zinc/47/83/66/1068478366.db2.gz ITLOXNTWSJETNC-IBGZPJMESA-N 0 0 453.560 4.623 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001463641384 1068478869 /nfs/dbraw/zinc/47/88/69/1068478869.db2.gz SDSNRCJTVXYPKL-SFHVURJKSA-N 0 0 459.356 4.793 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)c1 ZINC001463643530 1068479455 /nfs/dbraw/zinc/47/94/55/1068479455.db2.gz QVWRCVQNOGTXPS-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001463643632 1068479515 /nfs/dbraw/zinc/47/95/15/1068479515.db2.gz ZIVKUTWIKXAYNT-NRFANRHFSA-N 0 0 454.514 4.994 20 0 JJADRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC001463643635 1068479551 /nfs/dbraw/zinc/47/95/51/1068479551.db2.gz ZIVKUTWIKXAYNT-OAQYLSRUSA-N 0 0 454.514 4.994 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001463652633 1068481410 /nfs/dbraw/zinc/48/14/10/1068481410.db2.gz GILNFEQIDLIUNT-KRWDZBQOSA-N 0 0 458.514 4.729 20 0 JJADRN CC[C@@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653489 1068482405 /nfs/dbraw/zinc/48/24/05/1068482405.db2.gz XYSJUJWKWBLYNF-GHMZBOCLSA-N 0 0 459.519 4.500 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)N2CCCCC2)cc1 ZINC001463656415 1068484445 /nfs/dbraw/zinc/48/44/45/1068484445.db2.gz CSYLAWKWJTXUCW-SANMLTNESA-N 0 0 458.558 4.589 20 0 JJADRN O=S(=O)(c1ccccc1Br)N(Cc1cccc(Br)c1)CC1CC1 ZINC001463658180 1068485226 /nfs/dbraw/zinc/48/52/26/1068485226.db2.gz KUIPRYLLYMRRDL-UHFFFAOYSA-N 0 0 459.203 4.813 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001463662311 1068487154 /nfs/dbraw/zinc/48/71/54/1068487154.db2.gz DBJKNILIDPYSGR-HSZRJFAPSA-N 0 0 451.611 4.623 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1Cl ZINC001463663308 1068487194 /nfs/dbraw/zinc/48/71/94/1068487194.db2.gz GQAOSNSBVSTRPO-CQSZACIVSA-N 0 0 451.416 4.760 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001463663660 1068487698 /nfs/dbraw/zinc/48/76/98/1068487698.db2.gz GZSUCAACXYFKOC-LJQANCHMSA-N 0 0 457.514 4.520 20 0 JJADRN CSCc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC001463664429 1068487737 /nfs/dbraw/zinc/48/77/37/1068487737.db2.gz LMWLFEOCAQRDGH-UHFFFAOYSA-N 0 0 454.333 4.809 20 0 JJADRN COCCCC[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)c1ccccc1 ZINC001463665747 1068488460 /nfs/dbraw/zinc/48/84/60/1068488460.db2.gz NKGSDIBBHUPUEX-SFHVURJKSA-N 0 0 451.386 4.767 20 0 JJADRN CNc1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 ZINC001463666437 1068488502 /nfs/dbraw/zinc/48/85/02/1068488502.db2.gz PLXGXIGTQUTFKW-UHFFFAOYSA-N 0 0 459.955 4.752 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C\CCc3ccccc3)ccc2C)cc1 ZINC001463668117 1068489149 /nfs/dbraw/zinc/48/91/49/1068489149.db2.gz ZTJROZXCQZFQOC-XFFZJAGNSA-N 0 0 450.560 4.932 20 0 JJADRN CCOc1ccc(NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1OCC ZINC001463676102 1068490548 /nfs/dbraw/zinc/49/05/48/1068490548.db2.gz LSOOKQRYYZHKMS-HXUWFJFHSA-N 0 0 454.470 4.872 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001463677107 1068491092 /nfs/dbraw/zinc/49/10/92/1068491092.db2.gz OIHKXEZUNYZPSZ-RPWUZVMVSA-N 0 0 453.560 4.783 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001463678917 1068491805 /nfs/dbraw/zinc/49/18/05/1068491805.db2.gz WHPVZVNDZWCJQK-UHFFFAOYSA-N 0 0 452.661 4.907 20 0 JJADRN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463685904 1068493617 /nfs/dbraw/zinc/49/36/17/1068493617.db2.gz OOYSIKDJFZJRAY-AJSBUHFISA-N 0 0 476.621 4.643 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC001463688154 1068494187 /nfs/dbraw/zinc/49/41/87/1068494187.db2.gz GXVCOGVUHHFFSJ-HXUWFJFHSA-N 0 0 456.377 4.729 20 0 JJADRN CCC1(Cn2c(C3CCCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCOCC1 ZINC001546140920 1068494277 /nfs/dbraw/zinc/49/42/77/1068494277.db2.gz RDPSHLDIRUILLT-OAQYLSRUSA-N 0 0 458.569 4.672 20 0 JJADRN O=S(=O)(N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C1(COCc2ccccc2)CC1 ZINC001463689016 1068494905 /nfs/dbraw/zinc/49/49/05/1068494905.db2.gz WOWUFUWONICTES-FQEVSTJZSA-N 0 0 453.526 4.964 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNS(=O)(=O)c3cc(C)c(Cl)s3)cc2)c1 ZINC001463691092 1068495598 /nfs/dbraw/zinc/49/55/98/1068495598.db2.gz OUHPXXLUNJGOFF-UHFFFAOYSA-N 0 0 453.969 4.998 20 0 JJADRN O=S(=O)(Oc1cnc2ccc(Cl)cc2c1)C1=Cc2cc(Br)ccc2OC1 ZINC001463690713 1068495642 /nfs/dbraw/zinc/49/56/42/1068495642.db2.gz GRASLUCJGAJVTM-UHFFFAOYSA-N 0 0 452.713 4.793 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc(F)c1F ZINC001463695211 1068496725 /nfs/dbraw/zinc/49/67/25/1068496725.db2.gz RSISKEFQBHKRPX-VQIMIIECSA-N 0 0 457.926 4.800 20 0 JJADRN CC(C)[C@@H]1CN(S(=O)(=O)c2c(Br)cc(F)cc2Br)[C@@H]1C(C)C ZINC001463695145 1068496745 /nfs/dbraw/zinc/49/67/45/1068496745.db2.gz FQYWZFJVOATYEO-SMDDNHRTSA-N 0 0 457.203 4.652 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C)=C\c3ccncc3)ccc2C)cc1 ZINC001463696145 1068497039 /nfs/dbraw/zinc/49/70/39/1068497039.db2.gz WSMOUEOYUYNFJP-SDXDJHTJSA-N 0 0 451.548 4.632 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001463697887 1068497876 /nfs/dbraw/zinc/49/78/76/1068497876.db2.gz NJIQQIUWQXBIOO-KRWDZBQOSA-N 0 0 452.901 4.691 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c(Br)c1 ZINC001463697752 1068497901 /nfs/dbraw/zinc/49/79/01/1068497901.db2.gz KQKTZCHFQJLOMM-WFASDCNBSA-N 0 0 453.240 4.821 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1Br ZINC001463699143 1068498704 /nfs/dbraw/zinc/49/87/04/1068498704.db2.gz JLLNIXQSFITFRW-KRWDZBQOSA-N 0 0 457.777 4.505 20 0 JJADRN CCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001463703345 1068500217 /nfs/dbraw/zinc/50/02/17/1068500217.db2.gz RSTLQQYKTPUUKB-UHFFFAOYSA-N 0 0 454.523 4.635 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001463710539 1068501968 /nfs/dbraw/zinc/50/19/68/1068501968.db2.gz LIBCVYXAAZWYFV-MSOLQXFVSA-N 0 0 452.414 4.851 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2N)c1 ZINC001463714114 1068502648 /nfs/dbraw/zinc/50/26/48/1068502648.db2.gz UTWGDKGBNVIMRC-UHFFFAOYSA-N 0 0 450.347 4.653 20 0 JJADRN COc1ccc(CN2CCN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)cc1F ZINC001463716674 1068503362 /nfs/dbraw/zinc/50/33/62/1068503362.db2.gz UFKOHKSLCGDVTC-UHFFFAOYSA-N 0 0 455.917 4.633 20 0 JJADRN COc1ccc(CN2CCN(C(=O)c3ccccc3OCc3ccc(F)cc3)CC2)cc1F ZINC001463716121 1068503378 /nfs/dbraw/zinc/50/33/78/1068503378.db2.gz QKDVAPYDNUOGBO-UHFFFAOYSA-N 0 0 452.501 4.510 20 0 JJADRN O=S(=O)(NC[C@H]1CCCC[C@H]1c1ccccc1)c1cc(Br)cc2c1OCC2 ZINC001463715169 1068503389 /nfs/dbraw/zinc/50/33/89/1068503389.db2.gz YTOJITGIDMXANM-MJGOQNOKSA-N 0 0 450.398 4.636 20 0 JJADRN Cc1ccc(CSCCNC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001463717157 1068503829 /nfs/dbraw/zinc/50/38/29/1068503829.db2.gz HNCASRAEEZTZQB-UHFFFAOYSA-N 0 0 454.905 4.911 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001463717877 1068503842 /nfs/dbraw/zinc/50/38/42/1068503842.db2.gz QHJXGPUVXDWCSZ-LJQANCHMSA-N 0 0 452.580 4.569 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc2c(c1)OCCO2 ZINC001463722484 1068504681 /nfs/dbraw/zinc/50/46/81/1068504681.db2.gz BURCNZQJSYDWEQ-QHCPKHFHSA-N 0 0 452.551 4.883 20 0 JJADRN CC[C@@H]1CN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001463722173 1068504698 /nfs/dbraw/zinc/50/46/98/1068504698.db2.gz FUOBMCAGZIAPCP-LJQANCHMSA-N 0 0 450.579 4.721 20 0 JJADRN CCOc1cccc2cc([C@H](C)NC(=O)Cc3csc(CNC(=O)OC(C)(C)C)n3)oc21 ZINC001463739669 1068508678 /nfs/dbraw/zinc/50/86/78/1068508678.db2.gz ZCAHGBWYKPBPLF-AWEZNQCLSA-N 0 0 459.568 4.733 20 0 JJADRN CCCCc1oc2ccccc2c1CN(C)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001463743019 1068509857 /nfs/dbraw/zinc/50/98/57/1068509857.db2.gz JEJWVAHGIPFKDX-WXTAPIANSA-N 0 0 456.583 4.617 20 0 JJADRN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)c1C ZINC001463742885 1068509887 /nfs/dbraw/zinc/50/98/87/1068509887.db2.gz GXKJJDAZCCMIRD-UHFFFAOYSA-N 0 0 459.955 4.647 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC001463747955 1068511448 /nfs/dbraw/zinc/51/14/48/1068511448.db2.gz ZKMNXXGWYQZWSP-NHCUHLMSSA-N 0 0 452.551 4.777 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)c2ccccc12 ZINC001463746168 1068511563 /nfs/dbraw/zinc/51/15/63/1068511563.db2.gz JATUQRQIXXDYME-KRWDZBQOSA-N 0 0 453.539 4.991 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC001463748273 1068512116 /nfs/dbraw/zinc/51/21/16/1068512116.db2.gz PJLHJAMYXLZYMU-MRXNPFEDSA-N 0 0 458.425 4.897 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC(n2cc(Cl)cn2)CC1)C1CCCCCC1 ZINC001546141394 1068512373 /nfs/dbraw/zinc/51/23/73/1068512373.db2.gz GOIQDROFLUVPKB-HXUWFJFHSA-N 0 0 453.027 4.811 20 0 JJADRN CCCc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)NCC)ccc3C)sc2C)cc1 ZINC001463751455 1068512506 /nfs/dbraw/zinc/51/25/06/1068512506.db2.gz QVQXOXBPMNNPCP-UHFFFAOYSA-N 0 0 457.621 4.930 20 0 JJADRN C[C@@H]1CCc2nc(NC(=O)C3CC4(C3)C[C@@H](NC(=O)OC(C)(C)C)CCS4)sc2C1 ZINC001463753555 1068512904 /nfs/dbraw/zinc/51/29/04/1068512904.db2.gz LSYSICSJXIORBO-ADKQKGLMSA-N 0 0 451.658 4.776 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Br)c3C)C2)cc1 ZINC001463753354 1068512924 /nfs/dbraw/zinc/51/29/24/1068512924.db2.gz XJGIFMWEPUCYSH-SFHVURJKSA-N 0 0 452.414 4.551 20 0 JJADRN O=S(=O)(NCc1ccc(C2CCCCC2)cc1)c1cccc(I)c1 ZINC001463757511 1068514074 /nfs/dbraw/zinc/51/40/74/1068514074.db2.gz YMEFZWNUVBALRJ-UHFFFAOYSA-N 0 0 455.361 4.817 20 0 JJADRN CCc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)cc1OC ZINC001463760409 1068515387 /nfs/dbraw/zinc/51/53/87/1068515387.db2.gz MZIHVAKZJDYPTG-MGPUTAFESA-N 0 0 457.514 4.736 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1Cc2cc(C)ccc2CC1(C)C ZINC001463759754 1068515511 /nfs/dbraw/zinc/51/55/11/1068515511.db2.gz HBPUEIYYBZRYOC-UHFFFAOYSA-N 0 0 458.805 4.945 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001463761463 1068515965 /nfs/dbraw/zinc/51/59/65/1068515965.db2.gz PAWVMHMIMPYDDJ-NRJQMVOHSA-N 0 0 453.526 4.917 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CC[C@H]1CCc2ccccc21 ZINC001463761459 1068516117 /nfs/dbraw/zinc/51/61/17/1068516117.db2.gz PAWVMHMIMPYDDJ-CDMIOBSGSA-N 0 0 453.526 4.917 20 0 JJADRN O=S(=O)(NC1(Cc2ccc(F)cc2)CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC001463764258 1068516603 /nfs/dbraw/zinc/51/66/03/1068516603.db2.gz NWPBDSGIPRFHAF-UHFFFAOYSA-N 0 0 451.869 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccccc2SCc2ccccc2)CC1 ZINC001463763234 1068516728 /nfs/dbraw/zinc/51/67/28/1068516728.db2.gz JVTRGXQUZDVFMS-UHFFFAOYSA-N 0 0 455.624 4.860 20 0 JJADRN O=S(=O)(c1ccc(F)c(Br)c1F)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001463765869 1068516938 /nfs/dbraw/zinc/51/69/38/1068516938.db2.gz LZJMDWIIPNXQDS-JTQLQIEISA-N 0 0 456.230 4.972 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001463765069 1068517175 /nfs/dbraw/zinc/51/71/75/1068517175.db2.gz XLPHICXEWQWAIT-GFCCVEGCSA-N 0 0 457.326 4.963 20 0 JJADRN O=S(=O)(NC[C@H]1CCC[C@H]1c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001463768915 1068518099 /nfs/dbraw/zinc/51/80/99/1068518099.db2.gz QWPITZYINAYKPC-QUCCMNQESA-N 0 0 459.505 4.966 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccccc1-c1ccno1 ZINC001463767837 1068518183 /nfs/dbraw/zinc/51/81/83/1068518183.db2.gz ZTEAPSWTLXKFBY-KUHUBIRLSA-N 0 0 452.454 4.511 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccccc1-c1ccno1 ZINC001463767832 1068518297 /nfs/dbraw/zinc/51/82/97/1068518297.db2.gz ZTEAPSWTLXKFBY-IFXJQAMLSA-N 0 0 452.454 4.511 20 0 JJADRN CCCCn1cc(S(=O)(=O)N2CCCC[C@H]2Cc2ccccc2Br)c(C)n1 ZINC001463775689 1068521545 /nfs/dbraw/zinc/52/15/45/1068521545.db2.gz OULKKFBBFASEGI-SFHVURJKSA-N 0 0 454.434 4.540 20 0 JJADRN C[C@@H](OCCCNC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 ZINC001463775622 1068521745 /nfs/dbraw/zinc/52/17/45/1068521745.db2.gz PNCNTNADVDIHNJ-LJQANCHMSA-N 0 0 451.592 4.544 20 0 JJADRN CC1(C)Cc2c(cccc2Br)[C@@H]1NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC001463786349 1068523649 /nfs/dbraw/zinc/52/36/49/1068523649.db2.gz PWWSRXMHGSGKRD-INIZCTEOSA-N 0 0 454.777 4.581 20 0 JJADRN O=S(=O)(NCCOc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Br ZINC001463788913 1068524527 /nfs/dbraw/zinc/52/45/27/1068524527.db2.gz ABPYCKMGSGOPLD-UHFFFAOYSA-N 0 0 459.576 4.767 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001463792006 1068525690 /nfs/dbraw/zinc/52/56/90/1068525690.db2.gz VMMSQZRDGFMLOD-SFTDATJTSA-N 0 0 450.645 4.720 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCCn2c(cc3ccccc32)C1 ZINC001463795314 1068526784 /nfs/dbraw/zinc/52/67/84/1068526784.db2.gz DXDNCSBSJIRHKH-UHFFFAOYSA-N 0 0 453.789 4.960 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1 ZINC001463794271 1068527090 /nfs/dbraw/zinc/52/70/90/1068527090.db2.gz VSOFSXOLSIOAHB-HXUWFJFHSA-N 0 0 455.498 4.839 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cnc1N1CCCC[C@H]1C ZINC001546141761 1068528520 /nfs/dbraw/zinc/52/85/20/1068528520.db2.gz TZHRONZPGLPQOD-MOPGFXCFSA-N 0 0 453.562 4.791 20 0 JJADRN Nc1c(Cl)cc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC001463800205 1068529072 /nfs/dbraw/zinc/52/90/72/1068529072.db2.gz KTDWUISRJHFHFD-UHFFFAOYSA-N 0 0 455.389 4.628 20 0 JJADRN Cc1cc(CC(C)(C)NS(=O)(=O)c2cc(Cl)cnc2Cl)ccc1Br ZINC001463799709 1068529130 /nfs/dbraw/zinc/52/91/30/1068529130.db2.gz HQFKEDSQBBPUNA-UHFFFAOYSA-N 0 0 452.201 4.759 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001463800237 1068529156 /nfs/dbraw/zinc/52/91/56/1068529156.db2.gz OPQBOVVFNNOKQX-UHFFFAOYSA-N 0 0 457.357 4.900 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463800857 1068529621 /nfs/dbraw/zinc/52/96/21/1068529621.db2.gz PBTFOGZUDZYCJX-UHFFFAOYSA-N 0 0 459.590 4.536 20 0 JJADRN C[C@@H]1C(=O)CC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)C ZINC001463800710 1068529794 /nfs/dbraw/zinc/52/97/94/1068529794.db2.gz MPDAROHSZAJABV-WZONZLPQSA-N 0 0 454.561 4.840 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)C(C)(C)CCCc1ccccc1 ZINC001463800966 1068530301 /nfs/dbraw/zinc/53/03/01/1068530301.db2.gz UURPEFSRBMBLSD-UHFFFAOYSA-N 0 0 451.567 4.750 20 0 JJADRN CCOc1ccc([C@@H](CNC(=O)Cc2ccccc2CO)c2c[nH]c3ccccc32)cc1OC ZINC001463805525 1068531234 /nfs/dbraw/zinc/53/12/34/1068531234.db2.gz DMXSHRVLRKDTGF-HSZRJFAPSA-N 0 0 458.558 4.558 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC001463805170 1068531259 /nfs/dbraw/zinc/53/12/59/1068531259.db2.gz DYTFAQQMLZPVNI-SFHVURJKSA-N 0 0 456.967 4.804 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)CCOc3ccccc3C)ccc2C)c1 ZINC001463807070 1068531769 /nfs/dbraw/zinc/53/17/69/1068531769.db2.gz IYFITAAWPYCLSQ-UHFFFAOYSA-N 0 0 452.576 4.564 20 0 JJADRN CCc1nc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)nn1-c1ccccc1Cl ZINC001463808954 1068532362 /nfs/dbraw/zinc/53/23/62/1068532362.db2.gz PFXSCVBHHFCMQT-UHFFFAOYSA-N 0 0 458.012 4.949 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1C ZINC001463810708 1068532837 /nfs/dbraw/zinc/53/28/37/1068532837.db2.gz VVABGMHQLYFJJB-AEFFLSMTSA-N 0 0 458.443 4.570 20 0 JJADRN O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@H]1CCCN(CC(F)F)C1 ZINC001463809337 1068532953 /nfs/dbraw/zinc/53/29/53/1068532953.db2.gz LJSRGLCACAJWNU-INIZCTEOSA-N 0 0 453.327 4.944 20 0 JJADRN CCOc1ccc([C@@H](CNC(=O)c2csc(NC)n2)c2c[nH]c3ccccc32)cc1OC ZINC001463813101 1068533867 /nfs/dbraw/zinc/53/38/67/1068533867.db2.gz SWQUPUGNTZRSOG-QGZVFWFLSA-N 0 0 450.564 4.635 20 0 JJADRN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)CCc1noc2ccccc21 ZINC001463812093 1068533981 /nfs/dbraw/zinc/53/39/81/1068533981.db2.gz YBPQSGVSHQCPGS-HXUWFJFHSA-N 0 0 454.514 4.966 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2)NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC001463816206 1068534662 /nfs/dbraw/zinc/53/46/62/1068534662.db2.gz NKJABGJOWHTYMY-QFIPXVFZSA-N 0 0 455.963 4.740 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2C(F)(F)F)c1 ZINC001463818562 1068535149 /nfs/dbraw/zinc/53/51/49/1068535149.db2.gz FXTLFDAEJYFZOH-UHFFFAOYSA-N 0 0 453.468 4.717 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N1CCOc2c(Cl)cc(Br)cc21 ZINC001463818948 1068535219 /nfs/dbraw/zinc/53/52/19/1068535219.db2.gz OEEPRVDPUBGRHZ-UHFFFAOYSA-N 0 0 452.704 4.769 20 0 JJADRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463820392 1068535607 /nfs/dbraw/zinc/53/56/07/1068535607.db2.gz NUDNGUZUXZCBKT-GFCCVEGCSA-N 0 0 451.778 4.826 20 0 JJADRN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1NCc1ccccc1Cl ZINC001463822943 1068535782 /nfs/dbraw/zinc/53/57/82/1068535782.db2.gz PBNJMDAOAJDNCD-UHFFFAOYSA-N 0 0 459.859 4.944 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001463824906 1068537051 /nfs/dbraw/zinc/53/70/51/1068537051.db2.gz QXOWWUCKHKYINX-YSZBQJHXSA-N 0 0 454.998 4.961 20 0 JJADRN Cc1ccn2cnc(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4Cl)c3)c2c1 ZINC001463825540 1068537257 /nfs/dbraw/zinc/53/72/57/1068537257.db2.gz IJYRTTDZKXUEPT-UHFFFAOYSA-N 0 0 454.939 4.658 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001463824903 1068537269 /nfs/dbraw/zinc/53/72/69/1068537269.db2.gz QXOWWUCKHKYINX-SXSPYAJSSA-N 0 0 454.998 4.961 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825773 1068537503 /nfs/dbraw/zinc/53/75/03/1068537503.db2.gz KEGVRBXHCWMANR-QAPCUYQASA-N 0 0 450.988 4.983 20 0 JJADRN CN(CCOc1cccc(Cl)c1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001463825756 1068537587 /nfs/dbraw/zinc/53/75/87/1068537587.db2.gz WJALYDZLPMMMMU-UHFFFAOYSA-N 0 0 450.988 4.846 20 0 JJADRN Cc1ccc(NC(=O)Cc2ccc3c[nH]nc3c2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463826707 1068538912 /nfs/dbraw/zinc/53/89/12/1068538912.db2.gz VORSRIRBEHNFKM-UHFFFAOYSA-N 0 0 454.939 4.507 20 0 JJADRN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001463828433 1068539305 /nfs/dbraw/zinc/53/93/05/1068539305.db2.gz IVUKSIIZZREJDD-UWJYYQICSA-N 0 0 458.555 4.680 20 0 JJADRN Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2ccc(Br)c(C)c21 ZINC001463832164 1068539931 /nfs/dbraw/zinc/53/99/31/1068539931.db2.gz DIHBCCKIKKIALC-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001463832140 1068539965 /nfs/dbraw/zinc/53/99/65/1068539965.db2.gz DAHTZDZVRHWHLZ-IBGZPJMESA-N 0 0 450.988 4.631 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001463832466 1068540522 /nfs/dbraw/zinc/54/05/22/1068540522.db2.gz LQOJRNDDKNTZLC-LPHOPBHVSA-N 0 0 452.661 4.772 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)OCc2cccc(Cl)c2)CC1 ZINC001463833734 1068541025 /nfs/dbraw/zinc/54/10/25/1068541025.db2.gz PYBFEYNGFIOUSB-VQTJNVASSA-N 0 0 452.979 4.761 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001463840761 1068543981 /nfs/dbraw/zinc/54/39/81/1068543981.db2.gz CSTAPEOANGLHSA-UHFFFAOYSA-N 0 0 450.645 4.687 20 0 JJADRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)o1 ZINC001463845052 1068546006 /nfs/dbraw/zinc/54/60/06/1068546006.db2.gz YZBRUKDHVANTSC-JXFKEZNVSA-N 0 0 457.523 4.905 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001463844876 1068546023 /nfs/dbraw/zinc/54/60/23/1068546023.db2.gz NCEVPZNTNSYRNG-FQEVSTJZSA-N 0 0 454.958 4.700 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc2c1 ZINC001463846474 1068546590 /nfs/dbraw/zinc/54/65/90/1068546590.db2.gz NQCVPQOKWSOLHP-UHFFFAOYSA-N 0 0 452.580 4.601 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@H](OC)C2)CCCC1 ZINC001546142189 1068546980 /nfs/dbraw/zinc/54/69/80/1068546980.db2.gz FOHWIDIDVREIOO-HXUWFJFHSA-N 0 0 461.651 4.588 20 0 JJADRN CC(C)(C(=O)N1CCN(CCc2ccccc2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001463850434 1068547529 /nfs/dbraw/zinc/54/75/29/1068547529.db2.gz QSEQRHDMGASULO-UHFFFAOYSA-N 0 0 455.574 4.753 20 0 JJADRN C[C@H](CCCc1cccnc1)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849102 1068547691 /nfs/dbraw/zinc/54/76/91/1068547691.db2.gz CGBFXHGJPGQTRA-GFCCVEGCSA-N 0 0 451.308 4.553 20 0 JJADRN O=C1OCCN1c1ccc(S(=O)(=O)N(CCCCc2ccccc2)c2ccccc2)cc1 ZINC001463853258 1068548199 /nfs/dbraw/zinc/54/81/99/1068548199.db2.gz FXEDDZPAJIBKDD-UHFFFAOYSA-N 0 0 450.560 4.861 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001463859845 1068549255 /nfs/dbraw/zinc/54/92/55/1068549255.db2.gz OOPUHHIJRYUUJV-HOFKKMOUSA-N 0 0 456.627 4.904 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCCc3c(Cl)c(C)c(Cl)cc32)cc1 ZINC001463864276 1068550320 /nfs/dbraw/zinc/55/03/20/1068550320.db2.gz MCDYKIQXMWLBFZ-UHFFFAOYSA-N 0 0 456.391 4.894 20 0 JJADRN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H](c2ccccc2)C1 ZINC001463872664 1068552515 /nfs/dbraw/zinc/55/25/15/1068552515.db2.gz MASRBEVEEHXNOE-SZMVWBNQSA-N 0 0 451.430 4.766 20 0 JJADRN COc1ccc([C@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001463873760 1068553075 /nfs/dbraw/zinc/55/30/75/1068553075.db2.gz TUXIYBNZAXPVDO-SQJMNOBHSA-N 0 0 453.604 4.668 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)c2c[nH]nc2I)c2cccs2)cc1 ZINC001463876793 1068553543 /nfs/dbraw/zinc/55/35/43/1068553543.db2.gz QXGIGLKCXNVAAG-MRXNPFEDSA-N 0 0 451.333 4.719 20 0 JJADRN O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cccn(CC(F)(F)F)c1=O ZINC001463878144 1068553933 /nfs/dbraw/zinc/55/39/33/1068553933.db2.gz FTQBYBPWZRRHSF-UHFFFAOYSA-N 0 0 459.493 4.833 20 0 JJADRN CC(C)[C@@H]1N(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC12CCOCC2 ZINC001463878643 1068554015 /nfs/dbraw/zinc/55/40/15/1068554015.db2.gz NLHORTCOWSFKMB-HNNXBMFYSA-N 0 0 457.217 4.582 20 0 JJADRN COc1cc2c(c(OC)c1)N(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)CCC2 ZINC001463883644 1068555137 /nfs/dbraw/zinc/55/51/37/1068555137.db2.gz IBCVNJSNKCDFCV-UHFFFAOYSA-N 0 0 450.969 4.622 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(OCc2ccccc2)c1 ZINC001463886060 1068555501 /nfs/dbraw/zinc/55/55/01/1068555501.db2.gz FELJPHRDYSIYSX-UHFFFAOYSA-N 0 0 454.548 4.678 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(I)cc1 ZINC001463884812 1068555606 /nfs/dbraw/zinc/55/56/06/1068555606.db2.gz CAHIMFFQYLHUJH-GOEBONIOSA-N 0 0 459.331 4.677 20 0 JJADRN COc1cc(NC(=O)c2ccc3ccc(Br)cc3c2)c(C(=O)N(C)C)cc1OC ZINC001463886899 1068555672 /nfs/dbraw/zinc/55/56/72/1068555672.db2.gz GEONTLUJZTVJIV-UHFFFAOYSA-N 0 0 457.324 4.574 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC001463888073 1068556198 /nfs/dbraw/zinc/55/61/98/1068556198.db2.gz HCMTZGSPKAQQDY-JOCHJYFZSA-N 0 0 454.596 4.545 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cccn2c(I)cnc12)c1ccc(Cl)cc1 ZINC001463890912 1068556517 /nfs/dbraw/zinc/55/65/17/1068556517.db2.gz QWEGAXDJWPGELH-MRXNPFEDSA-N 0 0 453.711 4.719 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)C(C)C)cc1 ZINC001463889504 1068556596 /nfs/dbraw/zinc/55/65/96/1068556596.db2.gz JXUJXNFPSGTZDO-DEOSSOPVSA-N 0 0 452.576 4.932 20 0 JJADRN COc1ccc(-c2noc(CN3CCN(C(=O)CC4CCC(C(C)(C)C)CC4)CC3)n2)cc1 ZINC001463890595 1068556790 /nfs/dbraw/zinc/55/67/90/1068556790.db2.gz WLTFLHLJEMZZGW-UHFFFAOYSA-N 0 0 454.615 4.632 20 0 JJADRN COc1cccc(N(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)C(=O)OC(C)(C)C)c1 ZINC001463892537 1068557129 /nfs/dbraw/zinc/55/71/29/1068557129.db2.gz CGBIHKHBYMSTCX-UHFFFAOYSA-N 0 0 456.543 4.605 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c2ccccc12 ZINC001463893683 1068557759 /nfs/dbraw/zinc/55/77/59/1068557759.db2.gz IRNZZYJADMAFGU-UHFFFAOYSA-N 0 0 450.601 4.505 20 0 JJADRN CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CCCC1 ZINC001546142511 1068557855 /nfs/dbraw/zinc/55/78/55/1068557855.db2.gz LPCAULLKVJROGE-WMZOPIPTSA-N 0 0 466.598 4.626 20 0 JJADRN O=C(CCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1cc(Cl)sc1Cl ZINC001463895149 1068558241 /nfs/dbraw/zinc/55/82/41/1068558241.db2.gz DGIHPHATVFTBGS-ZDUSSCGKSA-N 0 0 455.411 4.742 20 0 JJADRN COC1([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCC1 ZINC001463894274 1068558331 /nfs/dbraw/zinc/55/83/31/1068558331.db2.gz QDMZKBODGNBHMW-CYBMUJFWSA-N 0 0 458.349 4.616 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3ccccc3Sc3ccccc3)cc12 ZINC001463896971 1068558819 /nfs/dbraw/zinc/55/88/19/1068558819.db2.gz QQFSTYUSKAXGPT-OAHLLOKOSA-N 0 0 450.589 4.851 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCCCO)C2CC2)CCC1 ZINC001546142548 1068558907 /nfs/dbraw/zinc/55/89/07/1068558907.db2.gz MRLSQFFMESEEHJ-HXUWFJFHSA-N 0 0 475.678 4.714 20 0 JJADRN COc1ccc(CN2CCCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)cc1 ZINC001463899422 1068559422 /nfs/dbraw/zinc/55/94/22/1068559422.db2.gz PKJMWFBVFFRNNC-UHFFFAOYSA-N 0 0 458.002 4.681 20 0 JJADRN Cc1cc(S(=O)(=O)N([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc(C)c1OCc1ccccc1 ZINC001463903246 1068560515 /nfs/dbraw/zinc/56/05/15/1068560515.db2.gz UOVZHEDGIRXDDS-LJQANCHMSA-N 0 0 459.608 4.766 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC001463902282 1068560690 /nfs/dbraw/zinc/56/06/90/1068560690.db2.gz BSBVQYTWCHSGEI-UHFFFAOYSA-N 0 0 458.805 4.709 20 0 JJADRN COc1ccccc1[C@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)c1nccn1C ZINC001463907913 1068561738 /nfs/dbraw/zinc/56/17/38/1068561738.db2.gz IRUUHLDVRHYFRY-GTVARFKMSA-N 0 0 451.395 4.803 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1cnc2ccccc2c1Br ZINC001463908388 1068562384 /nfs/dbraw/zinc/56/23/84/1068562384.db2.gz GONZPYDQZJKCBR-UHFFFAOYSA-N 0 0 457.349 4.984 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC001463911899 1068563007 /nfs/dbraw/zinc/56/30/07/1068563007.db2.gz GIVYPKVQULWDKV-HSZRJFAPSA-N 0 0 455.480 4.757 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Br)cnc1Br ZINC001463920593 1068566030 /nfs/dbraw/zinc/56/60/30/1068566030.db2.gz YSIGANKWFFATJZ-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Br)ncc1Br ZINC001463920668 1068566086 /nfs/dbraw/zinc/56/60/86/1068566086.db2.gz ZHNNFPGKQJXSTG-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc(C(F)(F)F)c[nH]c1=O)CC2 ZINC001463919725 1068566240 /nfs/dbraw/zinc/56/62/40/1068566240.db2.gz SVFGLXIKSZPHPM-NRFANRHFSA-N 0 0 458.436 4.611 20 0 JJADRN COc1ccc([C@H](CNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)N2CCOCC2)cc1OC ZINC001463923226 1068566712 /nfs/dbraw/zinc/56/67/12/1068566712.db2.gz DRXJAKLUYGPZQI-RDPSFJRHSA-N 0 0 454.611 4.511 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]1Cc1ccccc1Br ZINC001463922803 1068566775 /nfs/dbraw/zinc/56/67/75/1068566775.db2.gz VYRIHFGLVBFHOS-GFCCVEGCSA-N 0 0 450.185 4.547 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1 ZINC001463928205 1068567753 /nfs/dbraw/zinc/56/77/53/1068567753.db2.gz ZQHBCACPCBLJNH-LJQANCHMSA-N 0 0 450.398 4.828 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001463928384 1068568108 /nfs/dbraw/zinc/56/81/08/1068568108.db2.gz ATQOUEPRMDXELO-IBGZPJMESA-N 0 0 459.550 4.810 20 0 JJADRN COc1cc(/C=C\C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc(Br)c1O ZINC001463929423 1068568142 /nfs/dbraw/zinc/56/81/42/1068568142.db2.gz FQFWRHGQGRQFKG-TWGQIWQCSA-N 0 0 456.340 4.891 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCCCCC1 ZINC001463934052 1068569661 /nfs/dbraw/zinc/56/96/61/1068569661.db2.gz GKQIFNRNGNGYFZ-FQEVSTJZSA-N 0 0 459.587 4.608 20 0 JJADRN Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)nn1-c1ccc(Cl)cc1Cl ZINC001463938986 1068571063 /nfs/dbraw/zinc/57/10/63/1068571063.db2.gz GVSQXVNFTOWJMS-UHFFFAOYSA-N 0 0 451.741 4.852 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC001463940154 1068571295 /nfs/dbraw/zinc/57/12/95/1068571295.db2.gz CRZQJCSOYOQMNE-UHFFFAOYSA-N 0 0 456.340 4.502 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)C1CC(c2ccc(F)cc2)C1 ZINC001463947714 1068572280 /nfs/dbraw/zinc/57/22/80/1068572280.db2.gz GLNSUCRAMQOPPH-JAIQZWGSSA-N 0 0 458.942 4.825 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001463952246 1068573176 /nfs/dbraw/zinc/57/31/76/1068573176.db2.gz PLIYKYAIHGSYOW-QWNIKGHISA-N 0 0 460.905 4.861 20 0 JJADRN CC(C)c1cccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC001463953997 1068574327 /nfs/dbraw/zinc/57/43/27/1068574327.db2.gz TYMMDTXMYLNIHT-UDWIEESQSA-N 0 0 458.967 4.695 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cn(CC(F)(F)F)nc1C ZINC001463954627 1068574367 /nfs/dbraw/zinc/57/43/67/1068574367.db2.gz RWGRZVVACGXQRD-UHFFFAOYSA-N 0 0 451.276 4.552 20 0 JJADRN O=C(CCc1cc(Cl)cs1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001463954863 1068574708 /nfs/dbraw/zinc/57/47/08/1068574708.db2.gz YIRHKCFGBZDGEU-CXUHLZMHSA-N 0 0 455.388 4.840 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NCC[C@@H]3CSc4ccccc4O3)cc2)cc1 ZINC001463955575 1068574858 /nfs/dbraw/zinc/57/48/58/1068574858.db2.gz KIFLYGHBBXRJKT-HXUWFJFHSA-N 0 0 457.573 4.709 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(NCc2nc(C)cs2)c1 ZINC001463955469 1068574954 /nfs/dbraw/zinc/57/49/54/1068574954.db2.gz XVZYBHACPGOPPQ-UHFFFAOYSA-N 0 0 452.580 4.563 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(-n2ccnc2)cc1)NC(=O)OC(C)(C)C ZINC001463955940 1068575289 /nfs/dbraw/zinc/57/52/89/1068575289.db2.gz ILDQOAZNBOGBQZ-NRFANRHFSA-N 0 0 450.539 4.866 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(N(CC)CC)cc4)cc3C2=O)cc1 ZINC001463957918 1068575370 /nfs/dbraw/zinc/57/53/70/1068575370.db2.gz DPYYQKVOYRRFIT-UHFFFAOYSA-N 0 0 457.530 4.984 20 0 JJADRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1cnc2cccc(C)n21 ZINC001463956790 1068575483 /nfs/dbraw/zinc/57/54/83/1068575483.db2.gz UUSCBWZQPXUQDN-UHFFFAOYSA-N 0 0 458.518 4.945 20 0 JJADRN O=C(NCC1(CC(=O)N2CCO[C@H](c3ccccc3)C2)CCCCC1)OCc1ccccc1 ZINC001463970520 1068578245 /nfs/dbraw/zinc/57/82/45/1068578245.db2.gz GTVLQQKLMTZFGG-DEOSSOPVSA-N 0 0 450.579 4.854 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c1Br ZINC001463971397 1068578796 /nfs/dbraw/zinc/57/87/96/1068578796.db2.gz QNQOHBABNXHRSN-DDTOSNHZSA-N 0 0 480.490 4.798 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC001463973695 1068579201 /nfs/dbraw/zinc/57/92/01/1068579201.db2.gz DXRDVJRKCWFIDB-SQYJXRJJSA-N 0 0 468.541 4.704 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001463975009 1068579759 /nfs/dbraw/zinc/57/97/59/1068579759.db2.gz OQYDFGYOQBFOCI-UHFFFAOYSA-N 0 0 450.938 4.719 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)c1 ZINC001463986818 1068581201 /nfs/dbraw/zinc/58/12/01/1068581201.db2.gz CCEITEMZYZHLCU-GOSISDBHSA-N 0 0 451.972 4.532 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001463991775 1068582471 /nfs/dbraw/zinc/58/24/71/1068582471.db2.gz QVGQNPVMDPBQDP-QGZVFWFLSA-N 0 0 450.501 4.561 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)Oc2ccc(N=S3(=O)CCCC3)cc2)cc1Cl ZINC001463994183 1068583003 /nfs/dbraw/zinc/58/30/03/1068583003.db2.gz SUYDCDQJNCMWTL-UHFFFAOYSA-N 0 0 450.365 4.663 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001463993234 1068583157 /nfs/dbraw/zinc/58/31/57/1068583157.db2.gz ARWPNGSKTNGUOO-UHFFFAOYSA-N 0 0 456.468 4.895 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001463999852 1068584920 /nfs/dbraw/zinc/58/49/20/1068584920.db2.gz SSLXKLGELHUSQU-LJQANCHMSA-N 0 0 451.466 4.574 20 0 JJADRN Cc1c(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC001464003665 1068585652 /nfs/dbraw/zinc/58/56/52/1068585652.db2.gz BLSLWATXDPRIDG-AWEZNQCLSA-N 0 0 450.391 4.838 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001464001607 1068585697 /nfs/dbraw/zinc/58/56/97/1068585697.db2.gz YUUCSBABUNGHMV-YLJYHZDGSA-N 0 0 452.661 4.997 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001464004375 1068586210 /nfs/dbraw/zinc/58/62/10/1068586210.db2.gz XFFZAODFRCRASH-DOMZBBRYSA-N 0 0 459.033 4.929 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001464004540 1068586241 /nfs/dbraw/zinc/58/62/41/1068586241.db2.gz XFFZAODFRCRASH-IUODEOHRSA-N 0 0 459.033 4.929 20 0 JJADRN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(I)ccc1O ZINC001464006272 1068586558 /nfs/dbraw/zinc/58/65/58/1068586558.db2.gz YBEHPBVYTBALSO-KRWDZBQOSA-N 0 0 453.276 4.717 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001464008994 1068587713 /nfs/dbraw/zinc/58/77/13/1068587713.db2.gz PJXKRWVGMJTQAH-ZDUSSCGKSA-N 0 0 458.805 4.852 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2c[nH]c3c2cccc3Br)CCc2ccc(Cl)cc21 ZINC001464010007 1068588162 /nfs/dbraw/zinc/58/81/62/1068588162.db2.gz TUXHZKYIIJZBGI-GFCCVEGCSA-N 0 0 453.789 4.934 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC001464009875 1068588180 /nfs/dbraw/zinc/58/81/80/1068588180.db2.gz RXJFXQWNZOHYNW-SANMLTNESA-N 0 0 451.588 4.932 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC001464018382 1068590587 /nfs/dbraw/zinc/59/05/87/1068590587.db2.gz JKKMLLIVMHBUBY-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)C(C)(C)Cc3ccc(Br)cc3)CC2)c1 ZINC001464018307 1068590625 /nfs/dbraw/zinc/59/06/25/1068590625.db2.gz RKOXVNAQEDXBQM-UHFFFAOYSA-N 0 0 457.412 4.701 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001464023183 1068591751 /nfs/dbraw/zinc/59/17/51/1068591751.db2.gz FMZMMFRNCWLEJR-SJORKVTESA-N 0 0 456.029 4.557 20 0 JJADRN O=S(=O)(/C=C/c1ccccc1Cl)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001464023084 1068591786 /nfs/dbraw/zinc/59/17/86/1068591786.db2.gz LZVGLLJYHKNRBE-CSKARUKUSA-N 0 0 451.773 4.943 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)C2)cc1)c1ccc(F)cc1 ZINC001464027408 1068593053 /nfs/dbraw/zinc/59/30/53/1068593053.db2.gz NLXVIYRONPWSPM-QFIPXVFZSA-N 0 0 456.564 4.557 20 0 JJADRN CC(C)(C)c1ccc(C[C@@]2(C)CCCN2S(=O)(=O)c2cncc(Br)c2)cc1 ZINC001464029869 1068593505 /nfs/dbraw/zinc/59/35/05/1068593505.db2.gz PACYUBDEXLBKGY-OAQYLSRUSA-N 0 0 451.430 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001464031813 1068593991 /nfs/dbraw/zinc/59/39/91/1068593991.db2.gz GTFZIRYMBQXCTJ-FGZHOGPDSA-N 0 0 457.615 4.905 20 0 JJADRN CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)c1cccc(Br)c1 ZINC001464030548 1068594097 /nfs/dbraw/zinc/59/40/97/1068594097.db2.gz CAQCYULEFYDHJR-BQYQJAHWSA-N 0 0 455.146 4.992 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC001464032412 1068594563 /nfs/dbraw/zinc/59/45/63/1068594563.db2.gz ZKMRXPHUHMMASN-UHFFFAOYSA-N 0 0 457.393 4.961 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC001464035320 1068595040 /nfs/dbraw/zinc/59/50/40/1068595040.db2.gz QKDCXPUNCVBFTA-OAQYLSRUSA-N 0 0 453.482 4.500 20 0 JJADRN CCSCc1ccccc1C(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001464035869 1068595056 /nfs/dbraw/zinc/59/50/56/1068595056.db2.gz FNSAMSMOMYGCDX-LJQANCHMSA-N 0 0 450.608 4.817 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@@H](C)CCc4ccc(F)cc4)CC3)n2)cc1 ZINC001464037971 1068595693 /nfs/dbraw/zinc/59/56/93/1068595693.db2.gz MNBNXYIOEAFWEG-PMACEKPBSA-N 0 0 450.558 4.658 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC001464036241 1068595739 /nfs/dbraw/zinc/59/57/39/1068595739.db2.gz OWLNLZZTZODURE-MRXNPFEDSA-N 0 0 451.169 4.518 20 0 JJADRN CO[C@@H](CS(=O)(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001464036767 1068595851 /nfs/dbraw/zinc/59/58/51/1068595851.db2.gz YLYQPKYVNVYMMI-LEWJYISDSA-N 0 0 457.514 4.700 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1Br ZINC001464038951 1068596294 /nfs/dbraw/zinc/59/62/94/1068596294.db2.gz JUONUZKARLODED-MEDUHNTESA-N 0 0 459.203 4.527 20 0 JJADRN C[C@H](Oc1cccc(F)c1)C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464040074 1068596773 /nfs/dbraw/zinc/59/67/73/1068596773.db2.gz FNEUFOWBHZBSNV-SFHVURJKSA-N 0 0 457.929 4.847 20 0 JJADRN CC(C)c1cccc(O[C@@H](C(=O)NCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1 ZINC001464040547 1068596873 /nfs/dbraw/zinc/59/68/73/1068596873.db2.gz CNTHCBPMSAVBTL-MUUNZHRXSA-N 0 0 457.618 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)C1 ZINC001464044784 1068598454 /nfs/dbraw/zinc/59/84/54/1068598454.db2.gz CONGWGKYHRLJCE-GOSISDBHSA-N 0 0 452.555 4.700 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(F)c(F)cc1F ZINC001464044575 1068598505 /nfs/dbraw/zinc/59/85/05/1068598505.db2.gz VEZPRJRPNLBTNE-SFHVURJKSA-N 0 0 453.404 4.788 20 0 JJADRN CCN(C)C(=O)c1cccc(S(=O)(=O)Oc2cccc3scc(Br)c32)c1 ZINC001464043780 1068598628 /nfs/dbraw/zinc/59/86/28/1068598628.db2.gz VDRXSTJZUBAMTQ-UHFFFAOYSA-N 0 0 454.367 4.523 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)Oc2cc(C(=O)OC(C)(C)C)ccc2F)s1 ZINC001464044058 1068598648 /nfs/dbraw/zinc/59/86/48/1068598648.db2.gz XMEDEIGJERJONU-UHFFFAOYSA-N 0 0 451.335 4.681 20 0 JJADRN CCCN(Cc1c(F)cccc1Cl)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001464048897 1068599539 /nfs/dbraw/zinc/59/95/39/1068599539.db2.gz LVPDINJWNUEUCS-UHFFFAOYSA-N 0 0 457.802 4.677 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NS(=O)(=O)c2ccc(C)s2)cc1 ZINC001464047949 1068599573 /nfs/dbraw/zinc/59/95/73/1068599573.db2.gz ACLRBMXNWWIUBI-PMACEKPBSA-N 0 0 480.652 4.527 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](CCSC)NC(=O)Cc1ccccc1 ZINC001464048018 1068599678 /nfs/dbraw/zinc/59/96/78/1068599678.db2.gz VDNWRVSXNCIVTB-HXUWFJFHSA-N 0 0 452.542 4.535 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccccc2Cl)c1 ZINC001464051879 1068600466 /nfs/dbraw/zinc/60/04/66/1068600466.db2.gz LAPUJZVYNGTWDJ-LJQANCHMSA-N 0 0 458.805 4.897 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001464052259 1068600902 /nfs/dbraw/zinc/60/09/02/1068600902.db2.gz AJDRTYSEPZAZTI-AWEZNQCLSA-N 0 0 450.757 4.550 20 0 JJADRN CCN(CC(=O)NCc1ccc(F)cc1F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464057144 1068601745 /nfs/dbraw/zinc/60/17/45/1068601745.db2.gz UPVGYNXAGWUWFQ-UHFFFAOYSA-N 0 0 450.485 4.852 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC001464059837 1068602964 /nfs/dbraw/zinc/60/29/64/1068602964.db2.gz YZIRYGKYXCSCQV-UHFFFAOYSA-N 0 0 456.558 4.853 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)ccc1Cl ZINC001464072105 1068604886 /nfs/dbraw/zinc/60/48/86/1068604886.db2.gz HVUVZDGCCBGVEF-FQEVSTJZSA-N 0 0 457.958 4.515 20 0 JJADRN Cc1ccc([C@H](C)N(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(C)c1 ZINC001464070799 1068605015 /nfs/dbraw/zinc/60/50/15/1068605015.db2.gz BWEOCBAJJGBPHK-NRFANRHFSA-N 0 0 450.604 4.924 20 0 JJADRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001464075066 1068606340 /nfs/dbraw/zinc/60/63/40/1068606340.db2.gz SKADJUSZWPXMDD-CYBMUJFWSA-N 0 0 457.518 4.949 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1Cl ZINC001464074875 1068606448 /nfs/dbraw/zinc/60/64/48/1068606448.db2.gz UXGZTIRJNUWSQL-OAHLLOKOSA-N 0 0 457.958 4.909 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)C4CC(C)(C)CC(C)(C)C4)CC3)n2)cc1 ZINC001464076558 1068607074 /nfs/dbraw/zinc/60/70/74/1068607074.db2.gz MWDXXNGZTQJHHA-UHFFFAOYSA-N 0 0 452.643 4.974 20 0 JJADRN COc1ccc(C(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001464077691 1068607878 /nfs/dbraw/zinc/60/78/78/1068607878.db2.gz NMRJGOSLXUYUMC-WIYYLYMNSA-N 0 0 468.594 4.945 20 0 JJADRN COc1cccc([C@]2(C)CCN(S(=O)(=O)c3cc(Br)c(Cl)cc3C)C2)c1 ZINC001464081351 1068608467 /nfs/dbraw/zinc/60/84/67/1068608467.db2.gz FVDBGHCVVXYDPF-LJQANCHMSA-N 0 0 458.805 4.772 20 0 JJADRN CC[C@@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)c1ccccc1OC(F)F ZINC001464084430 1068608962 /nfs/dbraw/zinc/60/89/62/1068608962.db2.gz JRUUBFJTOYSQJD-OAHLLOKOSA-N 0 0 455.527 4.579 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC001464085746 1068609063 /nfs/dbraw/zinc/60/90/63/1068609063.db2.gz JSGRYGXHTFEZRT-UHFFFAOYSA-N 0 0 452.401 4.784 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@](C)(OC)C2)CCCC1 ZINC001546144249 1068609179 /nfs/dbraw/zinc/60/91/79/1068609179.db2.gz HFTHMSWYBDSHLD-CPJSRVTESA-N 0 0 491.677 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CCCC[C@H]12 ZINC001464086107 1068609207 /nfs/dbraw/zinc/60/92/07/1068609207.db2.gz AAFWGIJWSOESJC-HFZDXXHNSA-N 0 0 464.566 4.842 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3CCc4sc(Br)cc4C3)ccc2nc1Cl ZINC001464086470 1068609769 /nfs/dbraw/zinc/60/97/69/1068609769.db2.gz SHDLXXOECTUBFM-UHFFFAOYSA-N 0 0 457.802 4.768 20 0 JJADRN COc1ncc(Br)cc1CNS(=O)(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001464087237 1068610464 /nfs/dbraw/zinc/61/04/64/1068610464.db2.gz BKRDQHZWEVUGMO-UHFFFAOYSA-N 0 0 453.402 4.520 20 0 JJADRN COc1ccc(OS(=O)(=O)c2cc(Br)sc2Cl)c(C(F)(F)F)c1 ZINC001464088342 1068610965 /nfs/dbraw/zinc/61/09/65/1068610965.db2.gz PTAMHYFKZWXFTL-UHFFFAOYSA-N 0 0 451.669 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC001464092560 1068612160 /nfs/dbraw/zinc/61/21/60/1068612160.db2.gz QUFRFAGOFQUDEB-PRFADMHUSA-N 0 0 458.443 4.706 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)c(C)s1 ZINC001464096518 1068613159 /nfs/dbraw/zinc/61/31/59/1068613159.db2.gz QQGAPRDLEDOLRE-VLIAUNLRSA-N 0 0 457.596 4.634 20 0 JJADRN COc1ccc(NC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)cc1NC(=O)OC(C)(C)C ZINC001464097359 1068613905 /nfs/dbraw/zinc/61/39/05/1068613905.db2.gz XWRJIGJVIADXID-UHFFFAOYSA-N 0 0 455.490 4.510 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)cc2)c(OC)c1 ZINC001464098673 1068614587 /nfs/dbraw/zinc/61/45/87/1068614587.db2.gz ZTEUZHPYGPIUDH-UHFFFAOYSA-N 0 0 453.882 4.684 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@](C)(Cc2ccccc2)C(C)C)CC1 ZINC001464101300 1068616122 /nfs/dbraw/zinc/61/61/22/1068616122.db2.gz MRJRJRKMUTZHOL-BVAGGSTKSA-N 0 0 457.014 4.603 20 0 JJADRN Cc1c(Br)cccc1S(=O)(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC001464111991 1068618649 /nfs/dbraw/zinc/61/86/49/1068618649.db2.gz DIMWMZTWRRTAOW-UHFFFAOYSA-N 0 0 457.187 4.761 20 0 JJADRN COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001464111831 1068618682 /nfs/dbraw/zinc/61/86/82/1068618682.db2.gz PGHCZKWHBAXOCK-KRWDZBQOSA-N 0 0 452.960 4.661 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001464111902 1068618694 /nfs/dbraw/zinc/61/86/94/1068618694.db2.gz QBHASUZIFCIKPO-MEDUHNTESA-N 0 0 453.841 4.528 20 0 JJADRN COc1ccc(NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccnc1 ZINC001464113399 1068619398 /nfs/dbraw/zinc/61/93/98/1068619398.db2.gz BRUIUUGMBVYKHD-VWLOTQADSA-N 0 0 455.555 4.645 20 0 JJADRN Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001464120825 1068621778 /nfs/dbraw/zinc/62/17/78/1068621778.db2.gz DBKYDWOFXIBTOR-SFHVURJKSA-N 0 0 452.642 4.784 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)CSc2nccc3ccccc32)cc1Cl ZINC001464121611 1068622388 /nfs/dbraw/zinc/62/23/88/1068622388.db2.gz JFDVYVXJKKWHSO-UHFFFAOYSA-N 0 0 457.983 4.866 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1Cl ZINC001464123577 1068623117 /nfs/dbraw/zinc/62/31/17/1068623117.db2.gz PZQDYMOIFDKWDH-UHFFFAOYSA-N 0 0 454.958 4.846 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2)ccc1Cl ZINC001464124636 1068623764 /nfs/dbraw/zinc/62/37/64/1068623764.db2.gz RUAFBQHZGOCXNM-SFHVURJKSA-N 0 0 457.979 4.949 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)CCOc2cccc(Br)c2)cc1Br ZINC001464127634 1068625465 /nfs/dbraw/zinc/62/54/65/1068625465.db2.gz IHRYEXOPEYKXSK-GFCCVEGCSA-N 0 0 457.162 4.867 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(C(C)(C)C)cc1)C2=O ZINC001464127946 1068625523 /nfs/dbraw/zinc/62/55/23/1068625523.db2.gz IQYMKDCQSIRJPS-UHFFFAOYSA-N 0 0 455.643 4.560 20 0 JJADRN CSc1nnc(CCCNC(=O)c2cccc3[nH]c(-c4cccs4)nc32)n1CC(C)C ZINC001464128283 1068625932 /nfs/dbraw/zinc/62/59/32/1068625932.db2.gz JSZXCEICZPKCDD-UHFFFAOYSA-N 0 0 454.625 4.623 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)n1 ZINC001464128139 1068625958 /nfs/dbraw/zinc/62/59/58/1068625958.db2.gz CTSBNLSOYMQHBF-RTBURBONSA-N 0 0 457.578 4.768 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1C ZINC001464128987 1068626041 /nfs/dbraw/zinc/62/60/41/1068626041.db2.gz LOCQGOKNRVFANB-QGZVFWFLSA-N 0 0 452.555 4.816 20 0 JJADRN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC001464130853 1068627293 /nfs/dbraw/zinc/62/72/93/1068627293.db2.gz YPDCCAQJYPPIOW-URXFXBBRSA-N 0 0 459.993 4.636 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)cc1Br ZINC001464130440 1068627326 /nfs/dbraw/zinc/62/73/26/1068627326.db2.gz WHUOYXBZLQFPGB-MPBGBICISA-N 0 0 451.748 4.872 20 0 JJADRN COc1cccc([C@H](CNS(=O)(=O)c2ccc(Oc3ccc(SC)cc3)cc2)OC)c1 ZINC001464135683 1068629278 /nfs/dbraw/zinc/62/92/78/1068629278.db2.gz KRLIYZKYRROYEK-QHCPKHFHSA-N 0 0 459.589 4.875 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001464136402 1068629853 /nfs/dbraw/zinc/62/98/53/1068629853.db2.gz KTNRZUKDRWVKGU-UHFFFAOYSA-N 0 0 452.736 4.712 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136492 1068630013 /nfs/dbraw/zinc/63/00/13/1068630013.db2.gz KSBDTGKFGVVZJN-UXHICEINSA-N 0 0 450.341 4.579 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001464138995 1068631170 /nfs/dbraw/zinc/63/11/70/1068631170.db2.gz VCKNHROKPVWCHU-OIISXLGYSA-N 0 0 455.393 4.959 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC001464145322 1068633873 /nfs/dbraw/zinc/63/38/73/1068633873.db2.gz IGTMQHNFCIUANR-DHIUTWEWSA-N 0 0 450.560 4.555 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cc1Cl ZINC001464149411 1068634448 /nfs/dbraw/zinc/63/44/48/1068634448.db2.gz LVQAMNMQHBEZOW-LJQANCHMSA-N 0 0 458.805 4.757 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccc(-c2nnco2)cc1)NC(=O)OC(C)(C)C ZINC001464151604 1068635139 /nfs/dbraw/zinc/63/51/39/1068635139.db2.gz XYHGOHQUAAIHPV-IBGZPJMESA-N 0 0 452.511 4.730 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2)cc1 ZINC001464157537 1068636236 /nfs/dbraw/zinc/63/62/36/1068636236.db2.gz FWZAMIAYULMMSF-UHFFFAOYSA-N 0 0 459.527 4.810 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001464156517 1068636352 /nfs/dbraw/zinc/63/63/52/1068636352.db2.gz CXKUTWSHWQLVEF-UHFFFAOYSA-N 0 0 454.939 4.603 20 0 JJADRN Cc1c(NC(=O)c2n[nH]c(C(C)C)c2Br)cccc1-c1nnc2n1CCCCC2 ZINC001464157054 1068636491 /nfs/dbraw/zinc/63/64/91/1068636491.db2.gz CWWXZAKZBZWRMS-UHFFFAOYSA-N 0 0 457.376 4.841 20 0 JJADRN C[C@@H](NC(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464159081 1068637494 /nfs/dbraw/zinc/63/74/94/1068637494.db2.gz LPMGJDZNPRDJFB-AUSIDOKSSA-N 0 0 451.567 4.874 20 0 JJADRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC001464158185 1068637500 /nfs/dbraw/zinc/63/75/00/1068637500.db2.gz SPBKLLITTLWBFO-KRWDZBQOSA-N 0 0 454.571 4.955 20 0 JJADRN C[C@H](NC(=O)C[C@H]1CCC2(CCOCC2)CO1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464159092 1068637622 /nfs/dbraw/zinc/63/76/22/1068637622.db2.gz LPMGJDZNPRDJFB-WMZHIEFXSA-N 0 0 451.567 4.874 20 0 JJADRN Cc1ccccc1C(=O)NC1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 ZINC001464162404 1068638812 /nfs/dbraw/zinc/63/88/12/1068638812.db2.gz IVVXUNSGMRWKKW-UHFFFAOYSA-N 0 0 456.518 4.508 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC001464162348 1068638958 /nfs/dbraw/zinc/63/89/58/1068638958.db2.gz FKOUOSFOXDKGSI-DQEYMECFSA-N 0 0 452.639 4.735 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)[C@@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC001464164197 1068639633 /nfs/dbraw/zinc/63/96/33/1068639633.db2.gz GFPWWMPEGLFPNC-UXHICEINSA-N 0 0 451.013 4.808 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163816 1068639721 /nfs/dbraw/zinc/63/97/21/1068639721.db2.gz CPAKFVYHFLPDDX-DFBJGRDBSA-N 0 0 458.562 4.791 20 0 JJADRN O=C(NCc1ccnc(OCc2ccccc2)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001464165736 1068640374 /nfs/dbraw/zinc/64/03/74/1068640374.db2.gz IOLJCGUUVKKMTJ-UHFFFAOYSA-N 0 0 454.408 4.659 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC001464166757 1068640880 /nfs/dbraw/zinc/64/08/80/1068640880.db2.gz MIYMGMURMAZSOG-UHFFFAOYSA-N 0 0 451.958 4.644 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)cn2)c1 ZINC001464169138 1068641447 /nfs/dbraw/zinc/64/14/47/1068641447.db2.gz TXCBRDCJJBZZGB-UHFFFAOYSA-N 0 0 459.546 4.851 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)cc2)n1 ZINC001464169145 1068641501 /nfs/dbraw/zinc/64/15/01/1068641501.db2.gz JNBGAWNHQUUMQF-XZOQPEGZSA-N 0 0 454.615 4.621 20 0 JJADRN CCC1(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)[C@@H](C)CCSC)CCOCC1 ZINC001546144519 1068641598 /nfs/dbraw/zinc/64/15/98/1068641598.db2.gz MZCRFEZAFQGYRK-RXVVDRJESA-N 0 0 460.644 4.575 20 0 JJADRN C[C@@H](CNC(=O)Cc1csc(-c2sccc2Br)n1)N(C)c1ccccc1 ZINC001464172191 1068642223 /nfs/dbraw/zinc/64/22/23/1068642223.db2.gz OERHBPDGQRYZTI-ZDUSSCGKSA-N 0 0 450.427 4.818 20 0 JJADRN COc1ccc(F)cc1S(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001464172594 1068642974 /nfs/dbraw/zinc/64/29/74/1068642974.db2.gz QFWAYAXYZGPGKI-UHFFFAOYSA-N 0 0 456.417 4.519 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001464175787 1068643601 /nfs/dbraw/zinc/64/36/01/1068643601.db2.gz OEXZMVWYXZRHDS-UHFFFAOYSA-N 0 0 452.558 4.999 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)Cn2c(C)c(Br)c3ccccc32)cc1 ZINC001464177175 1068644182 /nfs/dbraw/zinc/64/41/82/1068644182.db2.gz UZFGFMYDRBRIGS-UHFFFAOYSA-N 0 0 456.384 4.559 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)CCC1 ZINC001546144577 1068645019 /nfs/dbraw/zinc/64/50/19/1068645019.db2.gz NTBRUEIIRJWKMY-UHFFFAOYSA-N 0 0 455.622 4.985 20 0 JJADRN COc1c(N)c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc(Cl)c1Br ZINC001464179722 1068645050 /nfs/dbraw/zinc/64/50/50/1068645050.db2.gz VNGPPZMAJFXCSY-INIZCTEOSA-N 0 0 451.752 4.697 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001464182883 1068646178 /nfs/dbraw/zinc/64/61/78/1068646178.db2.gz XOTBVQHDDJDLMQ-DEOSSOPVSA-N 0 0 452.576 4.810 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC001464182925 1068646294 /nfs/dbraw/zinc/64/62/94/1068646294.db2.gz AYWFUCMOPXWGPV-IBGZPJMESA-N 0 0 458.400 4.509 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1csc(-c2cccc(Br)c2)n1 ZINC001464188538 1068648232 /nfs/dbraw/zinc/64/82/32/1068648232.db2.gz PVGZJDZBTYWJIG-GOEBONIOSA-N 0 0 471.348 4.685 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2O)cc1S(=O)(=O)Nc1ccccc1 ZINC001464188444 1068648420 /nfs/dbraw/zinc/64/84/20/1068648420.db2.gz JYENQKZNAJHALP-UHFFFAOYSA-N 0 0 450.438 4.773 20 0 JJADRN O=C(NCc1ccccc1COCc1ccccc1)c1c[nH]c2ncc(Br)cc12 ZINC001464189872 1068648882 /nfs/dbraw/zinc/64/88/82/1068648882.db2.gz RVUDBFDTDIBATJ-UHFFFAOYSA-N 0 0 450.336 4.972 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCOc3c2cccc3C(F)(F)F)c(F)cc1Br ZINC001464191813 1068650299 /nfs/dbraw/zinc/65/02/99/1068650299.db2.gz NBMSMQNNHBKYCB-UHFFFAOYSA-N 0 0 454.239 4.503 20 0 JJADRN Cc1cc(S(=O)(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)c(F)cc1Br ZINC001464193925 1068651525 /nfs/dbraw/zinc/65/15/25/1068651525.db2.gz MDRCVPFVEAKIPE-INIZCTEOSA-N 0 0 450.320 4.784 20 0 JJADRN CCNc1cccnc1C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001464202490 1068654801 /nfs/dbraw/zinc/65/48/01/1068654801.db2.gz SVQBNPKNWAEKQE-OAQYLSRUSA-N 0 0 452.649 4.826 20 0 JJADRN CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C1 ZINC001464205859 1068656644 /nfs/dbraw/zinc/65/66/44/1068656644.db2.gz IPYXZSSAHGCOPA-NRFANRHFSA-N 0 0 452.942 4.543 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)N2CCSCC2)N2CCc3sccc3C2)cc1 ZINC001464206515 1068656767 /nfs/dbraw/zinc/65/67/67/1068656767.db2.gz KTMCJCGFTUHXME-WMZHIEFXSA-N 0 0 457.709 4.524 20 0 JJADRN CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N2CCc3sccc3C2)cc1 ZINC001464206570 1068657348 /nfs/dbraw/zinc/65/73/48/1068657348.db2.gz LFJYYTNTLIIJIE-XMSQKQJNSA-N 0 0 455.668 4.638 20 0 JJADRN Cc1cc(Cl)ccc1C1=CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC001464207695 1068658079 /nfs/dbraw/zinc/65/80/79/1068658079.db2.gz UHWWULATZBQTOO-UHFFFAOYSA-N 0 0 458.889 4.627 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001464215759 1068660482 /nfs/dbraw/zinc/66/04/82/1068660482.db2.gz WIGXKMNURPALNG-QFIPXVFZSA-N 0 0 454.477 4.615 20 0 JJADRN CCCCCOc1ccc([C@H](C)NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001464217422 1068661205 /nfs/dbraw/zinc/66/12/05/1068661205.db2.gz WZHZMXXJFSPDIQ-BXKMTCNYSA-N 0 0 452.567 4.791 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1 ZINC001464216868 1068661227 /nfs/dbraw/zinc/66/12/27/1068661227.db2.gz XHESUPCXYDUHMP-INIZCTEOSA-N 0 0 450.564 4.850 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cn1 ZINC001464218868 1068661768 /nfs/dbraw/zinc/66/17/68/1068661768.db2.gz NKABVXNQUYWFGH-UHFFFAOYSA-N 0 0 452.580 4.598 20 0 JJADRN CCCC(=O)Nc1cccc(CNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)c1 ZINC001464218069 1068661869 /nfs/dbraw/zinc/66/18/69/1068661869.db2.gz OAUFGEHXLICRNM-UHFFFAOYSA-N 0 0 451.548 4.678 20 0 JJADRN CC(C)(C)n1cc(C(=O)NCc2ccc(N3CCCCC3)nc2)c(-c2ccc(F)cc2F)n1 ZINC001464219605 1068662393 /nfs/dbraw/zinc/66/23/93/1068662393.db2.gz XHDAWAMWEXRDBE-UHFFFAOYSA-N 0 0 453.537 4.899 20 0 JJADRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001464221044 1068663054 /nfs/dbraw/zinc/66/30/54/1068663054.db2.gz MVATVLFUUQIMFS-UHFFFAOYSA-N 0 0 454.518 4.669 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001464222792 1068664283 /nfs/dbraw/zinc/66/42/83/1068664283.db2.gz GUDSZFONHAWLFC-HZPDHXFCSA-N 0 0 453.421 4.879 20 0 JJADRN CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001464225813 1068665114 /nfs/dbraw/zinc/66/51/14/1068665114.db2.gz ABPBQKKCWRPOJR-UHFFFAOYSA-N 0 0 453.539 4.725 20 0 JJADRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001464227756 1068665627 /nfs/dbraw/zinc/66/56/27/1068665627.db2.gz MOPNGBUUOSOAKI-UHFFFAOYSA-N 0 0 459.287 4.682 20 0 JJADRN CCCCOc1ccc(CCNC(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001464227946 1068665763 /nfs/dbraw/zinc/66/57/63/1068665763.db2.gz KXGIIXJPELFFMC-UHFFFAOYSA-N 0 0 453.583 4.526 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001464235178 1068668430 /nfs/dbraw/zinc/66/84/30/1068668430.db2.gz ADOMPARXVBAXDP-UHFFFAOYSA-N 0 0 454.239 4.842 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464235094 1068668495 /nfs/dbraw/zinc/66/84/95/1068668495.db2.gz JYVOHAQPKRGXSF-OAHLLOKOSA-N 0 0 451.473 4.595 20 0 JJADRN COc1ccc(C(=O)C[C@@H](C)C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC001464236623 1068669185 /nfs/dbraw/zinc/66/91/85/1068669185.db2.gz MDFSHVZPEJEWDL-HOYKHHGWSA-N 0 0 459.521 4.951 20 0 JJADRN Cc1ccc(OCCCCNC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC001464238644 1068669766 /nfs/dbraw/zinc/66/97/66/1068669766.db2.gz UBUHOWKITOGEKL-UHFFFAOYSA-N 0 0 451.592 4.544 20 0 JJADRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC001464238901 1068670562 /nfs/dbraw/zinc/67/05/62/1068670562.db2.gz NLEJXGDJKZTMNX-YOEHRIQHSA-N 0 0 450.398 4.729 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc(OC)c1OC ZINC001464240978 1068671358 /nfs/dbraw/zinc/67/13/58/1068671358.db2.gz ZZVYAJPRBIRVEH-RDJZCZTQSA-N 0 0 452.592 4.561 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC001464241698 1068671948 /nfs/dbraw/zinc/67/19/48/1068671948.db2.gz YHLKEMNWJNZQFM-FOIQADDNSA-N 0 0 458.534 4.741 20 0 JJADRN O=C(NCc1nnc2n1CCCC2)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001464241671 1068671958 /nfs/dbraw/zinc/67/19/58/1068671958.db2.gz WYVMQVVTDVDTMK-UHFFFAOYSA-N 0 0 450.461 4.854 20 0 JJADRN C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001464241384 1068672043 /nfs/dbraw/zinc/67/20/43/1068672043.db2.gz YCQJVHNEBJJKEY-WAIKUNEKSA-N 0 0 454.929 4.961 20 0 JJADRN CCOCCNC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001464243034 1068672818 /nfs/dbraw/zinc/67/28/18/1068672818.db2.gz TUVWFVYUCOPOMS-HXUWFJFHSA-N 0 0 450.579 4.580 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)cc2F)C[C@@H](C)O1 ZINC001464243387 1068673295 /nfs/dbraw/zinc/67/32/95/1068673295.db2.gz WWNXSBASUHGVIT-HUUCEWRRSA-N 0 0 459.518 4.744 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001464245597 1068673402 /nfs/dbraw/zinc/67/34/02/1068673402.db2.gz FDODBCMFUHZKEV-MDASCCDHSA-N 0 0 456.789 4.508 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)C3(C)CCC(F)(F)CC3)cc2)cc1 ZINC001464244714 1068673442 /nfs/dbraw/zinc/67/34/42/1068673442.db2.gz ZIZTYBZUIWUDJN-UHFFFAOYSA-N 0 0 452.523 4.791 20 0 JJADRN CCc1cccc(Oc2ccc(NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1 ZINC001464250605 1068675940 /nfs/dbraw/zinc/67/59/40/1068675940.db2.gz SQFZTHRDXDFTSO-UHFFFAOYSA-N 0 0 455.555 4.791 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)[C@](C)(O)CN3c4ccccc4C(C)(C)C3=O)cn2)cc1C ZINC001464253576 1068676598 /nfs/dbraw/zinc/67/65/98/1068676598.db2.gz DOHNHZVXMTURLU-HHHXNRCGSA-N 0 0 459.546 4.505 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC001464254099 1068677202 /nfs/dbraw/zinc/67/72/02/1068677202.db2.gz GORNWRGBAJATMN-FQEVSTJZSA-N 0 0 459.384 4.621 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H](c2cccc(Cl)c2)N(C)C)CC1 ZINC001464258135 1068678479 /nfs/dbraw/zinc/67/84/79/1068678479.db2.gz SPTKAIDGXNZUQI-NOZRDPDXSA-N 0 0 457.014 4.918 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cn2)cc1C ZINC001464257681 1068678500 /nfs/dbraw/zinc/67/85/00/1068678500.db2.gz NVPGMRQHAMUZEV-UHFFFAOYSA-N 0 0 458.562 4.558 20 0 JJADRN O=S(=O)(N[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Br)c(Cl)cc1Cl ZINC001464261612 1068679887 /nfs/dbraw/zinc/67/98/87/1068679887.db2.gz XBWGVOFMNJSEDY-ZBFHGGJFSA-N 0 0 451.169 4.564 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)Nc3ccccc3OCCC(N)=O)cc2c1 ZINC001464264001 1068680574 /nfs/dbraw/zinc/68/05/74/1068680574.db2.gz WRYQYQAVJRGFPA-UHFFFAOYSA-N 0 0 455.536 4.755 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001464264544 1068680640 /nfs/dbraw/zinc/68/06/40/1068680640.db2.gz PANFKTGOAKCKRG-SJORKVTESA-N 0 0 465.196 4.706 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C ZINC001464268915 1068682489 /nfs/dbraw/zinc/68/24/89/1068682489.db2.gz KLXVGDRIWOTEIM-UHFFFAOYSA-N 0 0 451.933 4.975 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC001464269764 1068682654 /nfs/dbraw/zinc/68/26/54/1068682654.db2.gz PLRDWWFKDDHJQH-UHFFFAOYSA-N 0 0 457.574 4.519 20 0 JJADRN COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001464269898 1068683333 /nfs/dbraw/zinc/68/33/33/1068683333.db2.gz HEVMJZYUXLAYIB-QGZVFWFLSA-N 0 0 459.461 4.588 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001464273446 1068684790 /nfs/dbraw/zinc/68/47/90/1068684790.db2.gz QEPRPXVNAKVGEC-UHFFFAOYSA-N 0 0 455.457 4.941 20 0 JJADRN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(c2ccccc2)[C@H](C)C2CC2)c1 ZINC001464273718 1068684807 /nfs/dbraw/zinc/68/48/07/1068684807.db2.gz PZWPKYFJYWJNGF-CQSZACIVSA-N 0 0 452.370 4.620 20 0 JJADRN CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)c1 ZINC001464274182 1068685478 /nfs/dbraw/zinc/68/54/78/1068685478.db2.gz PGIOWPSDQIPVQL-HXUWFJFHSA-N 0 0 459.461 4.721 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001464274312 1068685510 /nfs/dbraw/zinc/68/55/10/1068685510.db2.gz UVWFPXGPDJJUSR-UHFFFAOYSA-N 0 0 457.553 4.709 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)cc1 ZINC001464274851 1068686157 /nfs/dbraw/zinc/68/61/57/1068686157.db2.gz SIKFZKMVQYAVKT-NRFANRHFSA-N 0 0 457.571 4.924 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccc(Br)cc2N)cc1 ZINC001464275334 1068686176 /nfs/dbraw/zinc/68/61/76/1068686176.db2.gz VGDDHVVPCOZBFQ-UHFFFAOYSA-N 0 0 456.340 4.937 20 0 JJADRN CC1(c2ccc(S(=O)(=O)N3CCC[C@@]3(C)c3ccc(C(F)(F)F)cc3)cc2)OCCO1 ZINC001464275576 1068686222 /nfs/dbraw/zinc/68/62/22/1068686222.db2.gz QVMCOSGYWLKSDP-FQEVSTJZSA-N 0 0 455.498 4.625 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC001464277041 1068686777 /nfs/dbraw/zinc/68/67/77/1068686777.db2.gz AEVSJUBJCHIHPO-OAQYLSRUSA-N 0 0 456.652 4.555 20 0 JJADRN C[C@H](C1CC1)N(c1ccccc1)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001464277006 1068686828 /nfs/dbraw/zinc/68/68/28/1068686828.db2.gz YHXGIGFISSRUHV-HXUWFJFHSA-N 0 0 456.608 4.670 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC001464279034 1068687399 /nfs/dbraw/zinc/68/73/99/1068687399.db2.gz SWIDMWLIOPOUBR-UZLBHIALSA-N 0 0 453.539 4.638 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C ZINC001464279582 1068687952 /nfs/dbraw/zinc/68/79/52/1068687952.db2.gz BMPCJKVPSJPZDX-LJQANCHMSA-N 0 0 457.571 4.924 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)Cn1ccc2ccc(F)cc21)Nc1ccccc1F ZINC001464280461 1068688672 /nfs/dbraw/zinc/68/86/72/1068688672.db2.gz GZJZEQVZRBBZGT-UHFFFAOYSA-N 0 0 451.448 4.726 20 0 JJADRN CC(C)Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc(=O)[nH]1 ZINC001464281196 1068689383 /nfs/dbraw/zinc/68/93/83/1068689383.db2.gz LPJYNJHDRHFABB-UHFFFAOYSA-N 0 0 453.489 4.545 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001464282878 1068690710 /nfs/dbraw/zinc/69/07/10/1068690710.db2.gz SVUPENILPNREBP-OAQYLSRUSA-N 0 0 457.571 4.828 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC001464284411 1068691459 /nfs/dbraw/zinc/69/14/59/1068691459.db2.gz UFMPUEHZOSGIBH-QHCPKHFHSA-N 0 0 456.652 4.941 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001464284611 1068691550 /nfs/dbraw/zinc/69/15/50/1068691550.db2.gz VOSRYCQBJCMCKZ-UHFFFAOYSA-N 0 0 456.539 4.652 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001464285671 1068691602 /nfs/dbraw/zinc/69/16/02/1068691602.db2.gz WKWUVAPGQLIHBS-FCHUYYIVSA-N 0 0 454.615 4.941 20 0 JJADRN CN(CCOc1cccc(C(=O)Nc2cccc(-c3nccn3C)c2)c1)C(=O)OC(C)(C)C ZINC001464292003 1068694287 /nfs/dbraw/zinc/69/42/87/1068694287.db2.gz SCHAVMFVUDBWMI-UHFFFAOYSA-N 0 0 450.539 4.585 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC001464291504 1068694358 /nfs/dbraw/zinc/69/43/58/1068694358.db2.gz RVDMDMAJSRHIKO-WOJBJXKFSA-N 0 0 458.345 4.544 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001464298204 1068696310 /nfs/dbraw/zinc/69/63/10/1068696310.db2.gz LWOYEPSJOLXTEE-UHFFFAOYSA-N 0 0 454.939 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(-n3cncn3)c(F)c2)c2ccccc21 ZINC001464301722 1068697794 /nfs/dbraw/zinc/69/77/94/1068697794.db2.gz RERGJRZRAUQTJM-INIZCTEOSA-N 0 0 451.502 4.664 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)c2C1 ZINC001546145949 1068698336 /nfs/dbraw/zinc/69/83/36/1068698336.db2.gz ZMJYGNXNHQKGDZ-CYBMUJFWSA-N 0 0 459.616 4.563 20 0 JJADRN CCCc1noc(CCCC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)n1 ZINC001464303552 1068698384 /nfs/dbraw/zinc/69/83/84/1068698384.db2.gz COMGRUWAMVVTPK-UHFFFAOYSA-N 0 0 454.474 4.929 20 0 JJADRN CCOC(=O)[C@H](C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1)c1ccccc1 ZINC001464302943 1068698388 /nfs/dbraw/zinc/69/83/88/1068698388.db2.gz UZBYDVCTIARWHU-SFHVURJKSA-N 0 0 459.365 4.782 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001464305342 1068699061 /nfs/dbraw/zinc/69/90/61/1068699061.db2.gz WCSHLYKROUASKP-UHFFFAOYSA-N 0 0 458.259 4.868 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)c1 ZINC001464306532 1068699615 /nfs/dbraw/zinc/69/96/15/1068699615.db2.gz HCSFRQWZDJZOHC-INIZCTEOSA-N 0 0 455.393 4.611 20 0 JJADRN CCC1(Cn2c(CC(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)CCOCC1 ZINC001546146020 1068701540 /nfs/dbraw/zinc/70/15/40/1068701540.db2.gz BTPOWKRLJMJTGA-UHFFFAOYSA-N 0 0 450.631 4.565 20 0 JJADRN CCC[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001464315546 1068702185 /nfs/dbraw/zinc/70/21/85/1068702185.db2.gz KYEIJWROXKHJCM-QFBILLFUSA-N 0 0 450.505 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC001464317923 1068703001 /nfs/dbraw/zinc/70/30/01/1068703001.db2.gz GOLOIPRZBVYGJT-UHFFFAOYSA-N 0 0 450.457 4.812 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)cc2)nc1 ZINC001464317908 1068703066 /nfs/dbraw/zinc/70/30/66/1068703066.db2.gz IINLBXGUNMXKLM-GOSISDBHSA-N 0 0 450.926 4.722 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001464319776 1068704103 /nfs/dbraw/zinc/70/41/03/1068704103.db2.gz TWPDPTZSJXBEJP-MRXNPFEDSA-N 0 0 456.306 4.907 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@H]1c1cccc(Br)c1 ZINC001464319769 1068704161 /nfs/dbraw/zinc/70/41/61/1068704161.db2.gz TWPDPTZSJXBEJP-INIZCTEOSA-N 0 0 456.306 4.907 20 0 JJADRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c(Cl)c1C ZINC001464322176 1068704752 /nfs/dbraw/zinc/70/47/52/1068704752.db2.gz PUZUMNGAYSBNJH-UHFFFAOYSA-N 0 0 450.764 4.605 20 0 JJADRN C[C@@H]1CN(c2ccccc2NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC001464321799 1068705089 /nfs/dbraw/zinc/70/50/89/1068705089.db2.gz QSCQHKQGVQBHCR-QZTJIDSGSA-N 0 0 451.567 4.850 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)ccn2)cc1 ZINC001464321898 1068705265 /nfs/dbraw/zinc/70/52/65/1068705265.db2.gz RPMWULRKUQQRJG-UHFFFAOYSA-N 0 0 457.571 4.782 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)ccn2)cc1 ZINC001464322962 1068705587 /nfs/dbraw/zinc/70/55/87/1068705587.db2.gz YUFFFPNFEOMHPE-UHFFFAOYSA-N 0 0 457.571 4.924 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC001464326116 1068706850 /nfs/dbraw/zinc/70/68/50/1068706850.db2.gz HLOBNPYZDJTUPD-UHFFFAOYSA-N 0 0 458.805 4.947 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCc3cc4c([nH]c3=O)CCCC4)cc2)cc1 ZINC001464326579 1068707228 /nfs/dbraw/zinc/70/72/28/1068707228.db2.gz CQEFYOJJCNQSPC-UHFFFAOYSA-N 0 0 456.589 4.659 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001464326929 1068707420 /nfs/dbraw/zinc/70/74/20/1068707420.db2.gz AVGWNMOGSQHTDU-TUACAJSNSA-N 0 0 457.592 4.547 20 0 JJADRN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001464330890 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CCCCCCNC(=O)[C@H]1CCCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)C1 ZINC001464589056 1068792568 /nfs/dbraw/zinc/79/25/68/1068792568.db2.gz QAIDIZLJIZWRNN-IBGZPJMESA-N 0 0 451.449 4.852 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001464591924 1068793271 /nfs/dbraw/zinc/79/32/71/1068793271.db2.gz XUANTDANOLVSQR-UHFFFAOYSA-N 0 0 455.743 4.695 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC001464591278 1068793303 /nfs/dbraw/zinc/79/33/03/1068793303.db2.gz TUVSRWJFRARKQH-UHFFFAOYSA-N 0 0 458.509 4.813 20 0 JJADRN CC(C)(C)c1csc(C2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)n1 ZINC001464593461 1068793838 /nfs/dbraw/zinc/79/38/38/1068793838.db2.gz WIFVOZGSAKWENX-UHFFFAOYSA-N 0 0 454.486 4.704 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H](Oc3cccc(Cl)c3)C(C)C)CC2)cc1 ZINC001464598540 1068794876 /nfs/dbraw/zinc/79/48/76/1068794876.db2.gz IGZHNPKVYHAWOH-HSZRJFAPSA-N 0 0 458.986 4.563 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)c(I)c1 ZINC001464601762 1068795768 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Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)C2)cc1 ZINC001464630633 1068804394 /nfs/dbraw/zinc/80/43/94/1068804394.db2.gz VQNXYQIDKPWOEF-QHCPKHFHSA-N 0 0 454.636 4.573 20 0 JJADRN CCC1(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CCOCC1 ZINC001546148341 1068805926 /nfs/dbraw/zinc/80/59/26/1068805926.db2.gz MYDOVJLIZKMWSP-UHFFFAOYSA-N 0 0 459.516 4.524 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)Oc3cnc4cccc(Br)c4c3)cc(Cl)c2O1 ZINC001464639429 1068807362 /nfs/dbraw/zinc/80/73/62/1068807362.db2.gz LJRXKSSRTAGNMT-JTQLQIEISA-N 0 0 454.729 4.742 20 0 JJADRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001464641310 1068808827 /nfs/dbraw/zinc/80/88/27/1068808827.db2.gz YWFVCAYUIDSGLN-HHHXNRCGSA-N 0 0 456.565 4.871 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001464650636 1068811604 /nfs/dbraw/zinc/81/16/04/1068811604.db2.gz BGLAHINDKIDAJV-LJQANCHMSA-N 0 0 456.329 4.959 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)co2)cc1 ZINC001464651744 1068811996 /nfs/dbraw/zinc/81/19/96/1068811996.db2.gz GHRXUYSWYXBLBI-UHFFFAOYSA-N 0 0 451.324 4.775 20 0 JJADRN CC(=O)N1CCN(c2ccccc2CNC(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 ZINC001464655060 1068813403 /nfs/dbraw/zinc/81/34/03/1068813403.db2.gz GOMXCCMJJUBHEZ-UHFFFAOYSA-N 0 0 453.995 4.667 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001464656054 1068813813 /nfs/dbraw/zinc/81/38/13/1068813813.db2.gz HXLKWGCOZOERAG-NRFANRHFSA-N 0 0 452.551 4.632 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C)c1C ZINC001464665216 1068817186 /nfs/dbraw/zinc/81/71/86/1068817186.db2.gz QCRKJPMWYFUCOV-GBXCKJPGSA-N 0 0 450.645 4.687 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cs1 ZINC001464665870 1068817290 /nfs/dbraw/zinc/81/72/90/1068817290.db2.gz FVUJCOJBNUODOH-KRWDZBQOSA-N 0 0 452.555 4.932 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CCC1 ZINC001546148537 1068817401 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IXTLFZMPUHMFKS-FQEVSTJZSA-N 0 0 455.603 4.507 20 0 JJADRN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)C1 ZINC001464679291 1068822453 /nfs/dbraw/zinc/82/24/53/1068822453.db2.gz ISZRCVRXROEMKG-WOJBJXKFSA-N 0 0 451.449 4.809 20 0 JJADRN C[C@H](NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464679727 1068822566 /nfs/dbraw/zinc/82/25/66/1068822566.db2.gz YHCZMSKDJVVKIQ-GMBSWORKSA-N 0 0 454.489 4.545 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)C1 ZINC001464681829 1068823186 /nfs/dbraw/zinc/82/31/86/1068823186.db2.gz FOYMNGKXOPUWLN-AEFFLSMTSA-N 0 0 456.612 4.680 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(Br)cc1 ZINC001464682023 1068823718 /nfs/dbraw/zinc/82/37/18/1068823718.db2.gz BMAHONSZDVBQIV-JTQLQIEISA-N 0 0 456.255 4.569 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001464683224 1068823779 /nfs/dbraw/zinc/82/37/79/1068823779.db2.gz IXOLOFMESVYKBL-UHFFFAOYSA-N 0 0 453.764 4.713 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001464683070 1068823850 /nfs/dbraw/zinc/82/38/50/1068823850.db2.gz JVACRCXLZJHYDV-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(Br)cc1 ZINC001464682033 1068823928 /nfs/dbraw/zinc/82/39/28/1068823928.db2.gz BMAHONSZDVBQIV-SNVBAGLBSA-N 0 0 456.255 4.569 20 0 JJADRN CC(C)(C)c1ccc2cc(C(=O)NCCCNC(=O)c3cccc(Br)c3)[nH]c2c1 ZINC001464684463 1068824631 /nfs/dbraw/zinc/82/46/31/1068824631.db2.gz GNPXSCFCRDRXBU-UHFFFAOYSA-N 0 0 456.384 4.778 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2C)CCCCC1 ZINC001464686210 1068825204 /nfs/dbraw/zinc/82/52/04/1068825204.db2.gz MJTVFPHFCPGKJE-XMMPIXPASA-N 0 0 452.595 4.645 20 0 JJADRN COc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)c(OCC2CC2)c1 ZINC001464695466 1068827969 /nfs/dbraw/zinc/82/79/69/1068827969.db2.gz KQIIHNCAJOWGAD-UHFFFAOYSA-N 0 0 456.283 4.778 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(OCc3ccccc3)cn2)CC1)c1ccccc1 ZINC001464699256 1068828687 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JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001464708361 1068833360 /nfs/dbraw/zinc/83/33/60/1068833360.db2.gz NCEXKUREJVUYAC-NHCUHLMSSA-N 0 0 459.631 4.501 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC001464708519 1068833648 /nfs/dbraw/zinc/83/36/48/1068833648.db2.gz QCQBASWMULGQGF-OAHLLOKOSA-N 0 0 456.449 4.603 20 0 JJADRN CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccc(C(=O)Nc4cccnc4)c(Cl)c3)cc2C1 ZINC001464710712 1068833876 /nfs/dbraw/zinc/83/38/76/1068833876.db2.gz PQHFYNQUALSSPM-UHFFFAOYSA-N 0 0 450.926 4.855 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC001464709378 1068833894 /nfs/dbraw/zinc/83/38/94/1068833894.db2.gz OQZBRACYKBLSLO-OAHLLOKOSA-N 0 0 451.792 4.686 20 0 JJADRN CC(C)[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001464710232 1068833952 /nfs/dbraw/zinc/83/39/52/1068833952.db2.gz VDDBZSWECRVTML-UYAOXDASSA-N 0 0 458.521 4.935 20 0 JJADRN CC(=O)N[C@@H](CCC(C)C)C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711437 1068834652 /nfs/dbraw/zinc/83/46/52/1068834652.db2.gz BFKGTVLQQVBKHR-LOSJGSFVSA-N 0 0 456.030 4.515 20 0 JJADRN CC(=O)N[C@H](CCC(C)C)C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711433 1068834817 /nfs/dbraw/zinc/83/48/17/1068834817.db2.gz BFKGTVLQQVBKHR-JWQCQUIFSA-N 0 0 456.030 4.515 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC001464713879 1068835694 /nfs/dbraw/zinc/83/56/94/1068835694.db2.gz ZFZWYCJYNDHONE-SFHVURJKSA-N 0 0 456.011 4.581 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N(C)C(=O)OC(C)(C)C ZINC001464713982 1068835713 /nfs/dbraw/zinc/83/57/13/1068835713.db2.gz VHPYDLLCGNMMQF-HNNXBMFYSA-N 0 0 456.465 4.976 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001464713634 1068835752 /nfs/dbraw/zinc/83/57/52/1068835752.db2.gz YJBVLCBFOUZDSU-IBGZPJMESA-N 0 0 451.498 4.851 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC001464713746 1068835793 /nfs/dbraw/zinc/83/57/93/1068835793.db2.gz ZMXMJGNYJGSBPZ-IBGZPJMESA-N 0 0 451.498 4.851 20 0 JJADRN CCON1CCC(CC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001464715930 1068836169 /nfs/dbraw/zinc/83/61/69/1068836169.db2.gz PAVFABNZCJRZSQ-SANMLTNESA-N 0 0 456.030 4.627 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1nc(-c2ccncc2)cs1 ZINC001464718381 1068836535 /nfs/dbraw/zinc/83/65/35/1068836535.db2.gz LQIYYVVULGRNBZ-UHFFFAOYSA-N 0 0 455.996 4.761 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC001464717533 1068836661 /nfs/dbraw/zinc/83/66/61/1068836661.db2.gz FYVQMHPPRWVRTN-TZIWHRDSSA-N 0 0 455.574 4.828 20 0 JJADRN O=C(CSCc1cscn1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464719169 1068837295 /nfs/dbraw/zinc/83/72/95/1068837295.db2.gz YXIQMRGEZKPHOZ-HSZRJFAPSA-N 0 0 458.052 4.964 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3cccc(OCC(F)F)c3)cc2)CC1 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SNXVONYEESYEIM-UHFFFAOYSA-N 0 0 455.292 4.870 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164418527 718889918 /nfs/dbraw/zinc/88/99/18/718889918.db2.gz ORRAMDVJVLIIKW-LBPRGKRZSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419853 718890146 /nfs/dbraw/zinc/89/01/46/718890146.db2.gz RTIVCOVZHGCLCI-MRXNPFEDSA-N 0 0 494.727 4.816 20 0 JJADRN FC1(F)CO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164426311 718929809 /nfs/dbraw/zinc/92/98/09/718929809.db2.gz ZNYYWCVEFIIOJB-HZPDHXFCSA-N 0 0 462.591 4.876 20 0 JJADRN Cc1cccc(CN2C(=O)COC3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)CC3)[C@H]2C)n1 ZINC001164430010 718951933 /nfs/dbraw/zinc/95/19/33/718951933.db2.gz RWWNIGWLZISWJB-QGZVFWFLSA-N 0 0 490.982 4.647 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164427784 718952915 /nfs/dbraw/zinc/95/29/15/718952915.db2.gz GDYNNVJFIYSNBR-GOSISDBHSA-N 0 0 484.374 4.935 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164430734 718953418 /nfs/dbraw/zinc/95/34/18/718953418.db2.gz XISDGSHYCVESEG-IBGZPJMESA-N 0 0 463.956 4.590 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164430769 718953971 /nfs/dbraw/zinc/95/39/71/718953971.db2.gz XZXFUJCPEOHDCD-IBGZPJMESA-N 0 0 463.956 4.590 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164428938 718955182 /nfs/dbraw/zinc/95/51/82/718955182.db2.gz MHVPAENUWNHIPV-OAQYLSRUSA-N 0 0 489.994 4.857 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164427821 718955683 /nfs/dbraw/zinc/95/56/83/718955683.db2.gz GTEQUGAAZVAIEU-HXUWFJFHSA-N 0 0 489.994 4.770 20 0 JJADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164435101 718980185 /nfs/dbraw/zinc/98/01/85/718980185.db2.gz ZBAHCKCHABEHJW-NQIIRXRSSA-N 0 0 454.876 4.635 20 0 JJADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)C2 ZINC001164431812 718982027 /nfs/dbraw/zinc/98/20/27/718982027.db2.gz BVCDMQARWSGNCE-DENIHFKCSA-N 0 0 466.912 4.504 20 0 JJADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164433416 718982411 /nfs/dbraw/zinc/98/24/11/718982411.db2.gz KZEKKAPQBAHZKC-DENIHFKCSA-N 0 0 450.913 4.804 20 0 JJADRN CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164619617 719041397 /nfs/dbraw/zinc/04/13/97/719041397.db2.gz CYRCVEBGXKEOCW-AFMDSPMNSA-N 0 0 462.619 4.876 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)nc(Cl)c2c1 ZINC001164624041 719128972 /nfs/dbraw/zinc/12/89/72/719128972.db2.gz SULHDCCDNZJZLK-UHFFFAOYSA-N 0 0 459.884 4.734 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccccc21 ZINC001164633507 719139153 /nfs/dbraw/zinc/13/91/53/719139153.db2.gz RXSFOICZONKNHQ-HXUWFJFHSA-N 0 0 481.946 4.897 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649436 719287928 /nfs/dbraw/zinc/28/79/28/719287928.db2.gz WRECSGCCAMJCQH-IMJJTQAJSA-N 0 0 467.973 4.575 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164646467 719288028 /nfs/dbraw/zinc/28/80/28/719288028.db2.gz NZGBVJWLXSGCCK-TZYHBYERSA-N 0 0 494.064 4.989 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c(Cl)n1 ZINC001164645220 719289904 /nfs/dbraw/zinc/28/99/04/719289904.db2.gz DRPNRIRFEOZHKI-AFAVFJNCSA-N 0 0 469.941 4.757 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645084 719290698 /nfs/dbraw/zinc/29/06/98/719290698.db2.gz BPAKXRRULFRCNC-QEJZJMRPSA-N 0 0 465.913 4.630 20 0 JJADRN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645264 719290703 /nfs/dbraw/zinc/29/07/03/719290703.db2.gz FCSAZSKZCWLRRQ-VBNZEHGJSA-N 0 0 470.929 4.672 20 0 JJADRN 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Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164649797 719295838 /nfs/dbraw/zinc/29/58/38/719295838.db2.gz HJKXYHHDJCWTFJ-ZRBLBEILSA-N 0 0 486.950 4.998 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@@H]3O2)n1 ZINC001164654216 719298406 /nfs/dbraw/zinc/29/84/06/719298406.db2.gz QRDZXFXHHSSLSN-LKTVYLICSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@H]3O2)n1 ZINC001164656724 719299220 /nfs/dbraw/zinc/29/92/20/719299220.db2.gz YJVWCNCGMSGMEH-WKPIXPDZSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@@H]3O2)n1 ZINC001164656731 719299440 /nfs/dbraw/zinc/29/94/40/719299440.db2.gz YKSIFOIQFZBZIF-ONERCXAPSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)Oc4ccccc4-c4cccc(Cl)n4)C[C@@H]3O2)n1 ZINC001164656910 719301253 /nfs/dbraw/zinc/30/12/53/719301253.db2.gz ZHEJNTSAPDKBFE-JVPBZIDWSA-N 0 0 462.884 4.875 20 0 JJADRN Cc1noc([C@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164654782 719301458 /nfs/dbraw/zinc/30/14/58/719301458.db2.gz RTXHNYBVPPCPGN-ATZDWAIDSA-N 0 0 461.900 4.698 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5cccc(F)c5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164646319 719301540 /nfs/dbraw/zinc/30/15/40/719301540.db2.gz AGWHOEASKGOBGT-BVGQSLNGSA-N 0 0 465.863 4.529 20 0 JJADRN Cc1noc([C@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164654797 719301577 /nfs/dbraw/zinc/30/15/77/719301577.db2.gz RTXHNYBVPPCPGN-LZQZEXGQSA-N 0 0 461.900 4.698 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C[C@H]2CCCO[C@H]21 ZINC001164650898 719303092 /nfs/dbraw/zinc/30/30/92/719303092.db2.gz KCLXBKGGFXIMQL-KKLQWCBXSA-N 0 0 461.940 4.553 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C[C@@H]2CCCO[C@@H]12 ZINC001164650895 719303112 /nfs/dbraw/zinc/30/31/12/719303112.db2.gz KCLXBKGGFXIMQL-JXHRLWIKSA-N 0 0 461.940 4.553 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164650956 719315468 /nfs/dbraw/zinc/31/54/68/719315468.db2.gz GBEMAUHBGZNIGL-UHFFFAOYSA-N 0 0 460.960 4.744 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164654509 719317315 /nfs/dbraw/zinc/31/73/15/719317315.db2.gz QKLOAKMRIPBQGE-UHFFFAOYSA-N 0 0 461.397 4.977 20 0 JJADRN CCc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164654164 719317437 /nfs/dbraw/zinc/31/74/37/719317437.db2.gz PMEIBFHZLNIVOJ-UHFFFAOYSA-N 0 0 455.006 4.886 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164655443 719317531 /nfs/dbraw/zinc/31/75/31/719317531.db2.gz XFFAFUVVNZRPIB-UHFFFAOYSA-N 0 0 461.397 4.977 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164650881 719317921 /nfs/dbraw/zinc/31/79/21/719317921.db2.gz FDTUHUYWXPNDAA-UHFFFAOYSA-N 0 0 478.950 4.883 20 0 JJADRN O=S1(=O)c2ccccc2[C@@]2(CCN([C@@H](F)c3ccnc(Cl)c3)C2)N1Cc1ccccc1 ZINC001164655315 719322617 /nfs/dbraw/zinc/32/26/17/719322617.db2.gz VZJSUZYCLOBJSS-PKTZIBPZSA-N 0 0 457.958 4.509 20 0 JJADRN FC(F)(N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164653359 719323300 /nfs/dbraw/zinc/32/33/00/719323300.db2.gz HUVWECHACGRGHE-UHFFFAOYSA-N 0 0 485.966 4.998 20 0 JJADRN Cc1ccc(C(F)(F)N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1Cl ZINC001164653978 719323335 /nfs/dbraw/zinc/32/33/35/719323335.db2.gz JAGDHXAQUGQWBD-UHFFFAOYSA-N 0 0 459.928 4.732 20 0 JJADRN Clc1nc2c(c(N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)n1)CN(Cc1ccccc1)C2 ZINC001164662626 719342689 /nfs/dbraw/zinc/34/26/89/719342689.db2.gz QOMJVBLGUMFQGF-HJOGWXRNSA-N 0 0 469.029 4.589 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662754 719343756 /nfs/dbraw/zinc/34/37/56/719343756.db2.gz RITQXEVJKNDXFF-WFXMLNOXSA-N 0 0 464.944 4.680 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164660020 719343799 /nfs/dbraw/zinc/34/37/99/719343799.db2.gz HISPDJFCIFCACA-WFXMLNOXSA-N 0 0 464.944 4.680 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661334 719344315 /nfs/dbraw/zinc/34/43/15/719344315.db2.gz KMXWDLUCFVCKGN-IHPCNDPISA-N 0 0 453.917 4.878 20 0 JJADRN CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)c1 ZINC001164662882 719345122 /nfs/dbraw/zinc/34/51/22/719345122.db2.gz VARRADWCZCTWQE-UHFFFAOYSA-N 0 0 480.012 4.606 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164664206 719345581 /nfs/dbraw/zinc/34/55/81/719345581.db2.gz UIPYOYTUGRMVIV-UHFFFAOYSA-N 0 0 457.956 4.975 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164664553 719346629 /nfs/dbraw/zinc/34/66/29/719346629.db2.gz YGUIGDLOOGKACE-UHFFFAOYSA-N 0 0 450.590 4.838 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164663431 719348777 /nfs/dbraw/zinc/34/87/77/719348777.db2.gz GOBNSDSVMXKQFB-UHFFFAOYSA-N 0 0 481.600 4.716 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164663119 719349519 /nfs/dbraw/zinc/34/95/19/719349519.db2.gz DKFCADYNJOSRGS-UHFFFAOYSA-N 0 0 463.029 4.704 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164659939 719351085 /nfs/dbraw/zinc/35/10/85/719351085.db2.gz SQETUDOGGLIPCE-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164660552 719351841 /nfs/dbraw/zinc/35/18/41/719351841.db2.gz VBDKACNGEKWBFO-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164658194 719353883 /nfs/dbraw/zinc/35/38/83/719353883.db2.gz FJNMVYXAGAEIJV-UHFFFAOYSA-N 0 0 481.600 4.716 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164660701 719353897 /nfs/dbraw/zinc/35/38/97/719353897.db2.gz XOJDFXSQAICLIF-UHFFFAOYSA-N 0 0 498.675 4.648 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164659515 719353993 /nfs/dbraw/zinc/35/39/93/719353993.db2.gz PYEYHPJGVXENKY-UHFFFAOYSA-N 0 0 480.616 4.847 20 0 JJADRN CCOC[C@H]1CN(c2nc(CN3CCCC3)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164664786 719363611 /nfs/dbraw/zinc/36/36/11/719363611.db2.gz RMYOLERIRCIGRY-HXUWFJFHSA-N 0 0 480.682 4.651 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cc1 ZINC001164671089 719494280 /nfs/dbraw/zinc/49/42/80/719494280.db2.gz ZQRAOPALSCTPJB-UHFFFAOYSA-N 0 0 460.327 4.944 20 0 JJADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)C1)N1CCCC1 ZINC001164679130 719536347 /nfs/dbraw/zinc/53/63/47/719536347.db2.gz UCUCEBNITGGUQB-HMXCVIKNSA-N 0 0 461.940 4.553 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1)N1CCCC1 ZINC001164678913 719548060 /nfs/dbraw/zinc/54/80/60/719548060.db2.gz OJIXGCWMVVNABM-OLMNPRSZSA-N 0 0 467.969 4.615 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cs1 ZINC001164688018 719592295 /nfs/dbraw/zinc/59/22/95/719592295.db2.gz SNOCFHBJCBSPKR-UHFFFAOYSA-N 0 0 461.365 4.860 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)cs1 ZINC001164688580 719593748 /nfs/dbraw/zinc/59/37/48/719593748.db2.gz XXBPVNBMXBAOTF-UHFFFAOYSA-N 0 0 477.968 4.755 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)CC3)cs1 ZINC001164684854 719594009 /nfs/dbraw/zinc/59/40/09/719594009.db2.gz KMDNOGVSCOVQGH-UHFFFAOYSA-N 0 0 499.103 4.752 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C[C@H]2COc1cccnc1 ZINC001164687987 719598719 /nfs/dbraw/zinc/59/87/19/719598719.db2.gz SDABVQMFALKSGZ-NSHDSACASA-N 0 0 474.726 4.898 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4c(cnn4C)[C@H](COc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164685864 719601260 /nfs/dbraw/zinc/60/12/60/719601260.db2.gz MUVBGWRIRRKUHY-SFHVURJKSA-N 0 0 496.949 4.962 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)N1Cc1cccnc1 ZINC001164690954 719768207 /nfs/dbraw/zinc/76/82/07/719768207.db2.gz JHXCIVVOMYLASG-DLBZAZTESA-N 0 0 498.748 4.910 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)N1Cc1cccnc1 ZINC001164692062 719769418 /nfs/dbraw/zinc/76/94/18/719769418.db2.gz RIYKEYVJZCRABF-SFTDATJTSA-N 0 0 470.907 4.602 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)N1Cc1cccnc1 ZINC001164691388 719774751 /nfs/dbraw/zinc/77/47/51/719774751.db2.gz OHHWCQDOZKFGOM-WOJBJXKFSA-N 0 0 470.907 4.602 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)N1Cc1cccnc1 ZINC001164691387 719775126 /nfs/dbraw/zinc/77/51/26/719775126.db2.gz OHHWCQDOZKFGOM-VQTJNVASSA-N 0 0 470.907 4.602 20 0 JJADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164697064 719790751 /nfs/dbraw/zinc/79/07/51/719790751.db2.gz YCULSUABVJXDNJ-UHFFFAOYSA-N 0 0 454.308 4.664 20 0 JJADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CC3)cs1 ZINC001164691566 719815741 /nfs/dbraw/zinc/81/57/41/719815741.db2.gz HKOXBEHTOBOXCT-UHFFFAOYSA-N 0 0 480.972 4.730 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccccc4)nnc2Cl)CC3)cn1 ZINC001164695550 719826567 /nfs/dbraw/zinc/82/65/67/719826567.db2.gz FESAAQOIYZQBCH-QGZVFWFLSA-N 0 0 459.928 4.619 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccccc4F)nnc2Cl)CC3)cn1 ZINC001164698143 719827136 /nfs/dbraw/zinc/82/71/36/719827136.db2.gz RVKBAXPSQBRMCE-OAHLLOKOSA-N 0 0 477.918 4.758 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5cnn(C)c5)CO4)CC3)c(Cl)nn2)cc1 ZINC001164695894 719827232 /nfs/dbraw/zinc/82/72/32/719827232.db2.gz GMRSXNXWKOZMNE-QGZVFWFLSA-N 0 0 489.954 4.627 20 0 JJADRN COC[C@H]1CN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)Cc2cn(C)nc21 ZINC001164693552 719833338 /nfs/dbraw/zinc/83/33/38/719833338.db2.gz CCFQMYMJWMIAHW-MRXNPFEDSA-N 0 0 469.923 4.979 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC2)CN1c1ccccc1 ZINC001164696762 719836505 /nfs/dbraw/zinc/83/65/05/719836505.db2.gz UIWOXRUJGQNJSF-UHFFFAOYSA-N 0 0 493.341 4.884 20 0 JJADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)cn1 ZINC001164710913 720077575 /nfs/dbraw/zinc/07/75/75/720077575.db2.gz KIIUDPGCBJKGKJ-LEWJYISDSA-N 0 0 494.933 4.613 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)c1 ZINC001164709425 720088104 /nfs/dbraw/zinc/08/81/04/720088104.db2.gz FACXFIPBDJNXSV-UHFFFAOYSA-N 0 0 482.915 4.742 20 0 JJADRN O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2CCCCC2)c1)N1CCCC1 ZINC001164713845 720088143 /nfs/dbraw/zinc/08/81/43/720088143.db2.gz UYEHUWXJPBWYLV-XPNTWCBSSA-N 0 0 498.014 4.703 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164709673 720089617 /nfs/dbraw/zinc/08/96/17/720089617.db2.gz CDPCBSGZJBYRCN-UHFFFAOYSA-N 0 0 463.319 4.591 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCc4nnc(Cn5cccc5)n4CC3)cnc2Cl)c1 ZINC001164710212 720090954 /nfs/dbraw/zinc/09/09/54/720090954.db2.gz HJAOBDACBFKYOH-UHFFFAOYSA-N 0 0 472.902 4.590 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)cs1 ZINC001164817364 720253287 /nfs/dbraw/zinc/25/32/87/720253287.db2.gz QRPCLGHCARSVAO-DLBZAZTESA-N 0 0 481.931 4.502 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)c1 ZINC001164815744 720257446 /nfs/dbraw/zinc/25/74/46/720257446.db2.gz DWGCRQUXHSSAPR-CVEARBPZSA-N 0 0 458.987 4.537 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)cs1 ZINC001164815680 720258339 /nfs/dbraw/zinc/25/83/39/720258339.db2.gz DGVXQQZZBIYEBY-WOJBJXKFSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)cs1 ZINC001164817668 720259376 /nfs/dbraw/zinc/25/93/76/720259376.db2.gz SIWQHWXNGVUPTP-PMACEKPBSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)cs1 ZINC001164817381 720259496 /nfs/dbraw/zinc/25/94/96/720259496.db2.gz QTJGKDZDUYBPGA-RBUKOAKNSA-N 0 0 462.953 4.968 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164817596 720279841 /nfs/dbraw/zinc/27/98/41/720279841.db2.gz DSRDCXWNMHICAU-HXUWFJFHSA-N 0 0 455.336 4.710 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164819007 720283801 /nfs/dbraw/zinc/28/38/01/720283801.db2.gz OUKKMHOOCGGFQW-JOCHJYFZSA-N 0 0 464.919 4.710 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826046 720386960 /nfs/dbraw/zinc/38/69/60/720386960.db2.gz WJCMZHGOTOVTSI-ARFHVFGLSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820781 720387885 /nfs/dbraw/zinc/38/78/85/720387885.db2.gz CGOXXVVRPOFWQS-NSHGMRRFSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)[C@@H]3CCCO[C@H]23)cs1 ZINC001164825060 720387890 /nfs/dbraw/zinc/38/78/90/720387890.db2.gz UAKUPWFLESZPMW-INMHGKMJSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164826962 720388216 /nfs/dbraw/zinc/38/82/16/720388216.db2.gz ZDRWHUKMXKANPX-OTWHNJEPSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164824424 720393661 /nfs/dbraw/zinc/39/36/61/720393661.db2.gz RNEMVZDPKNGFGT-QRVBRYPASA-N 0 0 455.958 4.875 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164826946 720405669 /nfs/dbraw/zinc/40/56/69/720405669.db2.gz FKJXAGYMJKESGK-KFWWJZLASA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164826949 720405781 /nfs/dbraw/zinc/40/57/81/720405781.db2.gz FKJXAGYMJKESGK-ZNMIVQPWSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4cccs4)nnc3Cl)O2)n1 ZINC001164826166 720408503 /nfs/dbraw/zinc/40/85/03/720408503.db2.gz CPPMXLZZPVYYTO-ILXRZTDVSA-N 0 0 453.902 4.594 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(-c4cccs4)nnc3Cl)O2)n1 ZINC001164826169 720408665 /nfs/dbraw/zinc/40/86/65/720408665.db2.gz CPPMXLZZPVYYTO-ZNMIVQPWSA-N 0 0 453.902 4.594 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(CN4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)O2)n1 ZINC001164830974 720408707 /nfs/dbraw/zinc/40/87/07/720408707.db2.gz SVHFSYIPWLVDBU-LDTOTXGLSA-N 0 0 494.665 4.602 20 0 JJADRN Cc1noc([C@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)O2)n1 ZINC001164828788 720411654 /nfs/dbraw/zinc/41/16/54/720411654.db2.gz LILDTDGVQMOTHD-CEXWTWQISA-N 0 0 461.900 4.841 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@@H]32)c(Cl)nn1 ZINC001164829887 720411659 /nfs/dbraw/zinc/41/16/59/720411659.db2.gz OPFSCVJFIMDYOB-WDSOQIARSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)O2)n1 ZINC001164828760 720411961 /nfs/dbraw/zinc/41/19/61/720411961.db2.gz KUBORUSNGRRWMR-KURKYZTESA-N 0 0 465.863 4.671 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164735965 720422760 /nfs/dbraw/zinc/42/27/60/720422760.db2.gz ZZEKWYWRSCXFPW-VXKWHMMOSA-N 0 0 498.961 4.982 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]21 ZINC001164828592 720422941 /nfs/dbraw/zinc/42/29/41/720422941.db2.gz YBMHOBZTCSRXQG-LZJOCLMNSA-N 0 0 481.946 4.700 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@H](CC(=O)NC(C)C)[C@H]4C3)cnc2Cl)c1 ZINC001164829106 720426126 /nfs/dbraw/zinc/42/61/26/720426126.db2.gz ZUZNILDJMKEWAI-NNMXDRDESA-N 0 0 477.983 4.869 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@H](CC(=O)NC(C)C)[C@@H]4C3)cnc2Cl)c1 ZINC001164829105 720426372 /nfs/dbraw/zinc/42/63/72/720426372.db2.gz ZUZNILDJMKEWAI-KNKQGSTJSA-N 0 0 477.983 4.869 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726393 720484636 /nfs/dbraw/zinc/48/46/36/720484636.db2.gz LUUGHQBYEQDOPV-VXKWHMMOSA-N 0 0 455.940 4.899 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727528 720485009 /nfs/dbraw/zinc/48/50/09/720485009.db2.gz NIXZLEGETJOLTG-FCHUYYIVSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164723560 720485424 /nfs/dbraw/zinc/48/54/24/720485424.db2.gz CLTWQAZFYUYSBT-NHCUHLMSSA-N 0 0 459.903 4.729 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164729550 720485597 /nfs/dbraw/zinc/48/55/97/720485597.db2.gz RNWKSHKUCHJZFE-NHCUHLMSSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2nc(Cl)c4ccccc4n2)C3)c1 ZINC001164732403 720491282 /nfs/dbraw/zinc/49/12/82/720491282.db2.gz ZZAJYPSXVBNVED-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)C3)c1 ZINC001164732332 720491428 /nfs/dbraw/zinc/49/14/28/720491428.db2.gz ZDJUBUOHSFKKJP-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)C3)c1 ZINC001164722443 720492204 /nfs/dbraw/zinc/49/22/04/720492204.db2.gz AMMRRLUEWJXLNT-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164722473 720493257 /nfs/dbraw/zinc/49/32/57/720493257.db2.gz AXHOSCTVMSARNY-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN CSc1ccc(C(F)(F)N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1Cl ZINC001164730078 720493895 /nfs/dbraw/zinc/49/38/95/720493895.db2.gz SGFIYAQNZBMASQ-QVKFZJNVSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2nc4ccccc4nc2Cl)C3)c1 ZINC001164729652 720494384 /nfs/dbraw/zinc/49/43/84/720494384.db2.gz SERSDQMKXFVTGX-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164725683 720499653 /nfs/dbraw/zinc/49/96/53/720499653.db2.gz JVLUOOMYKUPGDV-UWJYYQICSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832161 720500634 /nfs/dbraw/zinc/50/06/34/720500634.db2.gz IVIVOWJMPIKEPB-ALKREAHSSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC[C@@H]21)N1CCCCC1 ZINC001164830392 720500745 /nfs/dbraw/zinc/50/07/45/720500745.db2.gz BCPCUSOXDWGAME-VKJFTORMSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164730220 720501087 /nfs/dbraw/zinc/50/10/87/720501087.db2.gz SVISQAURDWRZEG-UWJYYQICSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]21)N1CCCCC1 ZINC001164835439 720501232 /nfs/dbraw/zinc/50/12/32/720501232.db2.gz YBBFGRGVZHWALN-FIKGOQFSSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@H]21)N1CCCCC1 ZINC001164833289 720502367 /nfs/dbraw/zinc/50/23/67/720502367.db2.gz CSQVHVXYRCWGLN-UZKOGDIHSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164836559 720502507 /nfs/dbraw/zinc/50/25/07/720502507.db2.gz NEUGBFVJBXPGDP-DXIQSLLYSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164836561 720502518 /nfs/dbraw/zinc/50/25/18/720502518.db2.gz NEUGBFVJBXPGDP-JQVVWYNYSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21)N1CCCCC1 ZINC001164835806 720503285 /nfs/dbraw/zinc/50/32/85/720503285.db2.gz LMKJGNGVWUXKFN-YCPHGPKFSA-N 0 0 481.893 4.543 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]21)N1CCCCC1 ZINC001164839391 720504063 /nfs/dbraw/zinc/50/40/63/720504063.db2.gz TWGPUIKCCQVXED-HMFYCAOWSA-N 0 0 482.015 4.793 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164727585 720504334 /nfs/dbraw/zinc/50/43/34/720504334.db2.gz CIRMFFBUNYTHBY-SIKLNZKXSA-N 0 0 474.895 4.559 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164728585 720504409 /nfs/dbraw/zinc/50/44/09/720504409.db2.gz GKHSCBXRQMWZNG-URXFXBBRSA-N 0 0 499.949 4.669 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734690 720539298 /nfs/dbraw/zinc/53/92/98/720539298.db2.gz KJVDXIZKRKBCGQ-XMSQKQJNSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734706 720541657 /nfs/dbraw/zinc/54/16/57/720541657.db2.gz KQNZYDVPLACHGI-ZHRRBRCNSA-N 0 0 476.911 4.784 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734061 720541758 /nfs/dbraw/zinc/54/17/58/720541758.db2.gz GWORGRGFBMNZAN-SBUREZEXSA-N 0 0 487.938 4.586 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2ccc(Cl)nc2)Cc2ccccc23)nc1 ZINC001164837961 720734431 /nfs/dbraw/zinc/73/44/31/720734431.db2.gz PECXGBXJLFJOQW-UHFFFAOYSA-N 0 0 459.903 4.767 20 0 JJADRN Nc1cc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)cnc1Cl ZINC001164842354 720744464 /nfs/dbraw/zinc/74/44/64/720744464.db2.gz CYFUJODNKKUMGO-UHFFFAOYSA-N 0 0 472.923 4.649 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164841908 720747151 /nfs/dbraw/zinc/74/71/51/720747151.db2.gz APXYVLCGOSYBIP-UHFFFAOYSA-N 0 0 488.991 4.847 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@@]12CCC(=O)N2 ZINC001164846858 720755485 /nfs/dbraw/zinc/75/54/85/720755485.db2.gz KHBJKRMVUPVDSE-RXFWQSSRSA-N 0 0 467.683 4.584 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843727 720766138 /nfs/dbraw/zinc/76/61/38/720766138.db2.gz AKMHRVSGMZKZFI-SFTDATJTSA-N 0 0 463.651 4.924 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848555 720766343 /nfs/dbraw/zinc/76/63/43/720766343.db2.gz PWRQMPXEJONPHE-RTWAWAEBSA-N 0 0 461.635 4.678 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164845151 720774834 /nfs/dbraw/zinc/77/48/34/720774834.db2.gz FGDAZBLRQQNVPZ-ZACQAIPSSA-N 0 0 455.958 4.740 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@]4(CCN(Cc5cccc(C)c5)C4=O)C3)nc(Cl)c2c1 ZINC001164850556 720808398 /nfs/dbraw/zinc/80/83/98/720808398.db2.gz JIMRPONADRZYIZ-DEOSSOPVSA-N 0 0 486.950 4.774 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164851930 720813663 /nfs/dbraw/zinc/81/36/63/720813663.db2.gz LVFDGJRJJLAMLV-JXFKEZNVSA-N 0 0 472.898 4.576 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)CC1 ZINC001164857939 720894273 /nfs/dbraw/zinc/89/42/73/720894273.db2.gz LDODPPQNJSPCHT-UHFFFAOYSA-N 0 0 456.924 4.961 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1)c1ccccc1 ZINC001164860719 720899086 /nfs/dbraw/zinc/89/90/86/720899086.db2.gz UPRPGTRZRHPLFI-UZUQRXQVSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1)c1ccccc1 ZINC001164863730 720899906 /nfs/dbraw/zinc/89/99/06/720899906.db2.gz YUEKJOSAISSJAK-HOYKHHGWSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1)c1ccccc1 ZINC001164857438 720901905 /nfs/dbraw/zinc/90/19/05/720901905.db2.gz LEIQOSCKMPOFBT-MGPUTAFESA-N 0 0 489.872 4.857 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1)c1ccccc1 ZINC001164859843 720902573 /nfs/dbraw/zinc/90/25/73/720902573.db2.gz QDCYDOVBMLCQCJ-PXDATVDWSA-N 0 0 498.961 4.900 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164758915 720985344 /nfs/dbraw/zinc/98/53/44/720985344.db2.gz WSTKFVASUFXKIH-GOSISDBHSA-N 0 0 473.955 4.910 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164762875 721010985 /nfs/dbraw/zinc/01/09/85/721010985.db2.gz WNSMOIWSALMSIG-VJBWXMMDSA-N 0 0 487.934 4.771 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164757282 721026524 /nfs/dbraw/zinc/02/65/24/721026524.db2.gz CXTPOBONFVDIJG-VGOFRKELSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164757280 721026828 /nfs/dbraw/zinc/02/68/28/721026828.db2.gz CXTPOBONFVDIJG-JTSKRJEESA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164760279 721027644 /nfs/dbraw/zinc/02/76/44/721027644.db2.gz CMNXSPRETPBVGP-XMSQKQJNSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1=O ZINC001164856553 721028480 /nfs/dbraw/zinc/02/84/80/721028480.db2.gz AZIJHLAICAZVOF-LVCYWYKZSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1=O ZINC001164860974 721028948 /nfs/dbraw/zinc/02/89/48/721028948.db2.gz MAEWLEOFFNTHMP-AQNXPRMDSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]2C1=O ZINC001164858852 721031631 /nfs/dbraw/zinc/03/16/31/721031631.db2.gz HZZCLQVWGWZKAU-RLLQIKCJSA-N 0 0 493.982 4.887 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164771231 721031719 /nfs/dbraw/zinc/03/17/19/721031719.db2.gz ZUABNIJPBHNAIG-BEFAXECRSA-N 0 0 460.308 4.553 20 0 JJADRN Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164768392 721040395 /nfs/dbraw/zinc/04/03/95/721040395.db2.gz UFXWEHJYXMOWPM-PMACEKPBSA-N 0 0 492.357 4.827 20 0 JJADRN Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)cn1 ZINC001164768403 721040552 /nfs/dbraw/zinc/04/05/52/721040552.db2.gz UFXWEHJYXMOWPM-WOJBJXKFSA-N 0 0 492.357 4.827 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@@H]2COCc1ccccc1 ZINC001164758878 721048161 /nfs/dbraw/zinc/04/81/61/721048161.db2.gz CRBSTDHGQWEDHM-QGZVFWFLSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)[C@@H]2COCc1ccccc1 ZINC001164770908 721048826 /nfs/dbraw/zinc/04/88/26/721048826.db2.gz LDNBHYMJDHBXTF-QGZVFWFLSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)[C@H]2COCc1ccccc1 ZINC001164765095 721049052 /nfs/dbraw/zinc/04/90/52/721049052.db2.gz CBLLMLOASBZRJL-FQEVSTJZSA-N 0 0 473.955 4.787 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001164774806 721051041 /nfs/dbraw/zinc/05/10/41/721051041.db2.gz YMCKSTXEZHWRAA-MSOLQXFVSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)n1 ZINC001164774807 721051386 /nfs/dbraw/zinc/05/13/86/721051386.db2.gz YMCKSTXEZHWRAA-QZTJIDSGSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)n1 ZINC001164771514 721055214 /nfs/dbraw/zinc/05/52/14/721055214.db2.gz MIDYSPHYRYTNCV-DHIUTWEWSA-N 0 0 498.961 4.942 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)n1 ZINC001164771034 721056072 /nfs/dbraw/zinc/05/60/72/721056072.db2.gz LLJTUTPFIKDVBF-RTWAWAEBSA-N 0 0 484.934 4.910 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164770925 721058868 /nfs/dbraw/zinc/05/88/68/721058868.db2.gz LHARJWJWCMCSDX-WZONZLPQSA-N 0 0 477.939 4.785 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]4(C[C@@H](c5ccccc5)CO4)C3)c2c1C ZINC001164772079 721060646 /nfs/dbraw/zinc/06/06/46/721060646.db2.gz OGORTDZHSXOTST-AMGIVPHBSA-N 0 0 478.662 4.683 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@]4(C[C@@H](c5ccccc5)CO4)C3)c2c1C ZINC001164772071 721060697 /nfs/dbraw/zinc/06/06/97/721060697.db2.gz OGORTDZHSXOTST-AJTFRIOCSA-N 0 0 478.662 4.683 20 0 JJADRN c1ccc([C@H]2CO[C@@]3(C2)CCCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)C3)cc1 ZINC001164765120 721060717 /nfs/dbraw/zinc/06/07/17/721060717.db2.gz CDGCNUAKFWCTGZ-LYZGTLIUSA-N 0 0 490.673 4.555 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]4(C[C@H](c5ccccc5)CO4)C3)c2c1C ZINC001164772082 721060847 /nfs/dbraw/zinc/06/08/47/721060847.db2.gz OGORTDZHSXOTST-CUNXSJBXSA-N 0 0 478.662 4.683 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164764861 721062135 /nfs/dbraw/zinc/06/21/35/721062135.db2.gz BRMWRBPZPAAMIB-YWZLYKJASA-N 0 0 450.942 4.914 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164873435 721217811 /nfs/dbraw/zinc/21/78/11/721217811.db2.gz RDLNSSBXFGEPIF-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164875955 721220132 /nfs/dbraw/zinc/22/01/32/721220132.db2.gz YKHYEGRRLATIKA-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164870783 721221803 /nfs/dbraw/zinc/22/18/03/721221803.db2.gz IBHPIQUNRSPLKF-UHFFFAOYSA-N 0 0 462.972 4.820 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3ccccn3)CCO4)c(Cl)nn2)cc1 ZINC001164869528 721222003 /nfs/dbraw/zinc/22/20/03/721222003.db2.gz CSKPXSREHDXSOJ-UHFFFAOYSA-N 0 0 489.929 4.752 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@H]32)N=C1C ZINC001164872174 721235579 /nfs/dbraw/zinc/23/55/79/721235579.db2.gz KSJICQNDGJPACI-GEQKSPFYSA-N 0 0 473.955 4.516 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164879294 721248010 /nfs/dbraw/zinc/24/80/10/721248010.db2.gz XUNCSKNHSUZQCZ-SNRMKQJTSA-N 0 0 464.875 4.568 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164878878 721249366 /nfs/dbraw/zinc/24/93/66/721249366.db2.gz VWRDGKXJAVFRHD-AQNXPRMDSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164880114 721251254 /nfs/dbraw/zinc/25/12/54/721251254.db2.gz ZPNMNNJXJVGNNM-BVSLBCMMSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164875042 721251889 /nfs/dbraw/zinc/25/18/89/721251889.db2.gz LOPXHRLPWZADGH-IMJJTQAJSA-N 0 0 463.834 4.899 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)O1)c1ccccc1 ZINC001164878155 721254341 /nfs/dbraw/zinc/25/43/41/721254341.db2.gz SRWPZVDZVOPBTF-MHECFPHRSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)O1)c1ccccc1 ZINC001164877434 721254524 /nfs/dbraw/zinc/25/45/24/721254524.db2.gz RJJXIHRVNCDQRN-UTKZUKDTSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)O1)c1ccccc1 ZINC001164873292 721255497 /nfs/dbraw/zinc/25/54/97/721255497.db2.gz HIWJWAIVVWZFIC-NTKDMRAZSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)O1)c1ccccc1 ZINC001164876787 721256581 /nfs/dbraw/zinc/25/65/81/721256581.db2.gz PPGMKCAUGPLMOL-CYFREDJKSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)O1)c1ccccc1 ZINC001164873263 721259041 /nfs/dbraw/zinc/25/90/41/721259041.db2.gz HGXFBMYBCCGCCR-HOYKHHGWSA-N 0 0 486.950 4.776 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767096 721274340 /nfs/dbraw/zinc/27/43/40/721274340.db2.gz GCIOBFCLLUMZGU-AWEZNQCLSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770706 721275242 /nfs/dbraw/zinc/27/52/42/721275242.db2.gz XFGXPBDGSRCTHH-LBPRGKRZSA-N 0 0 474.726 4.894 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164769150 721275388 /nfs/dbraw/zinc/27/53/88/721275388.db2.gz PKDQZPNSTDRANN-HNNXBMFYSA-N 0 0 488.951 4.710 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1 ZINC001164875817 721298109 /nfs/dbraw/zinc/29/81/09/721298109.db2.gz GZTJMWBGZHBDGU-OXJNMPFZSA-N 0 0 477.964 4.862 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4ccncc4)n2)CCO3)c1 ZINC001164775027 721305026 /nfs/dbraw/zinc/30/50/26/721305026.db2.gz MWZPXIJXHBIVDS-DEOSSOPVSA-N 0 0 485.966 4.921 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC2)N1CC1CC1 ZINC001164775605 721306790 /nfs/dbraw/zinc/30/67/90/721306790.db2.gz GKZAERXCGXKADZ-UHFFFAOYSA-N 0 0 452.958 4.775 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC(=O)N3CC3CC3)CC2)n1 ZINC001164775146 721306800 /nfs/dbraw/zinc/30/68/00/721306800.db2.gz ABPAUSFWHBLEFD-UHFFFAOYSA-N 0 0 455.672 4.521 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164879583 721314243 /nfs/dbraw/zinc/31/42/43/721314243.db2.gz NRZRTKQMWGKANG-QHAWAJNXSA-N 0 0 481.666 4.608 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880174 721314519 /nfs/dbraw/zinc/31/45/19/721314519.db2.gz PMQKHMDGWODLMR-ZLGUVYLKSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164873274 721314605 /nfs/dbraw/zinc/31/46/05/721314605.db2.gz AZABMNUVSAZRCE-AEGPPILISA-N 0 0 463.834 4.757 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c(Cl)nn1 ZINC001164876394 721315344 /nfs/dbraw/zinc/31/53/44/721315344.db2.gz GYHQWMSZQMFGRO-IPHXSNPTSA-N 0 0 490.913 4.939 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164877067 721318279 /nfs/dbraw/zinc/31/82/79/721318279.db2.gz IXSBLNIYUSJZID-FQEVSTJZSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164878079 721318579 /nfs/dbraw/zinc/31/85/79/721318579.db2.gz MPWXXOROAUYHOB-FQEVSTJZSA-N 0 0 468.935 4.842 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164779265 721324029 /nfs/dbraw/zinc/32/40/29/721324029.db2.gz WQRLAKJFAJFEAR-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164776168 721325851 /nfs/dbraw/zinc/32/58/51/721325851.db2.gz CNZMZVJTWVXJBK-HNNXBMFYSA-N 0 0 464.875 4.569 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2)N1CC=CC1 ZINC001164776662 721328158 /nfs/dbraw/zinc/32/81/58/721328158.db2.gz HPAAAPPPWNNXJJ-UHFFFAOYSA-N 0 0 453.961 4.768 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2)N1CC=CC1 ZINC001164778065 721328199 /nfs/dbraw/zinc/32/81/99/721328199.db2.gz UFCQHXRZJCPNHS-UHFFFAOYSA-N 0 0 459.368 4.894 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)cs1 ZINC001164873877 721330301 /nfs/dbraw/zinc/33/03/01/721330301.db2.gz CYMSYHHELJLSDF-ZDUSSCGKSA-N 0 0 474.364 4.748 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)cs1 ZINC001164875365 721331051 /nfs/dbraw/zinc/33/10/51/721331051.db2.gz KNABJKWUCUYLJM-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)cs1 ZINC001164877722 721331076 /nfs/dbraw/zinc/33/10/76/721331076.db2.gz WJOGAXHQKMSCKN-ZDUSSCGKSA-N 0 0 496.996 4.704 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C2)cs1 ZINC001164874714 721331865 /nfs/dbraw/zinc/33/18/65/721331865.db2.gz ILYAEGBOZZGYJH-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164778855 721336121 /nfs/dbraw/zinc/33/61/21/721336121.db2.gz ZIMCASDOXSVVPD-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164885836 721345096 /nfs/dbraw/zinc/34/50/96/721345096.db2.gz QMTPWXNADODGTF-NFBKMPQASA-N 0 0 479.930 4.598 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777838 721345470 /nfs/dbraw/zinc/34/54/70/721345470.db2.gz IRIOLBOQKRHHMV-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164889285 721346513 /nfs/dbraw/zinc/34/65/13/721346513.db2.gz YYAMOHMZWIJIOP-URXFXBBRSA-N 0 0 475.967 4.767 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164881729 721346932 /nfs/dbraw/zinc/34/69/32/721346932.db2.gz AEVUBMZEDCGIAX-RXVVDRJESA-N 0 0 467.969 4.520 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164881728 721347199 /nfs/dbraw/zinc/34/71/99/721347199.db2.gz AEVUBMZEDCGIAX-NQIIRXRSSA-N 0 0 467.969 4.520 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2C1 ZINC001164883424 721353141 /nfs/dbraw/zinc/35/31/41/721353141.db2.gz LPBJVLWUBFCQJA-LAUBAEHRSA-N 0 0 473.907 4.517 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2C1 ZINC001164883425 721353257 /nfs/dbraw/zinc/35/32/57/721353257.db2.gz LPBJVLWUBFCQJA-UTKZUKDTSA-N 0 0 473.907 4.517 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1Cl ZINC001164779769 721354991 /nfs/dbraw/zinc/35/49/91/721354991.db2.gz WDYNZNDABMOGCX-NRFANRHFSA-N 0 0 487.016 4.726 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4Cl)nn3)C2)C1 ZINC001164787748 721357161 /nfs/dbraw/zinc/35/71/61/721357161.db2.gz ZTIYWYWWTPQFGT-RUZDIDTESA-N 0 0 468.001 4.521 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882426 721357936 /nfs/dbraw/zinc/35/79/36/721357936.db2.gz JEESLMGTYZBFMX-RTBURBONSA-N 0 0 479.675 4.612 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885282 721358413 /nfs/dbraw/zinc/35/84/13/721358413.db2.gz XRJRLZCRBVNBCK-ZWKOTPCHSA-N 0 0 455.653 4.596 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882572 721359160 /nfs/dbraw/zinc/35/91/60/721359160.db2.gz JSRWBZSOOJQWJS-VQTJNVASSA-N 0 0 475.643 4.866 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)c(Cl)nn1 ZINC001164885655 721360173 /nfs/dbraw/zinc/36/01/73/721360173.db2.gz YEWXBVLQZURCGN-MSOLQXFVSA-N 0 0 476.936 4.796 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782296 721362104 /nfs/dbraw/zinc/36/21/04/721362104.db2.gz MPJURRNFIMTQMD-SANMLTNESA-N 0 0 479.650 4.660 20 0 JJADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164886183 721377640 /nfs/dbraw/zinc/37/76/40/721377640.db2.gz DPJRYXCAJOERCT-IBGZPJMESA-N 0 0 476.014 4.793 20 0 JJADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780196 721382795 /nfs/dbraw/zinc/38/27/95/721382795.db2.gz FORFNGWEBYAEGY-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782466 721383747 /nfs/dbraw/zinc/38/37/47/721383747.db2.gz LVVADGVJQSENRY-CVDCTZTESA-N 0 0 474.939 4.815 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164783767 721386011 /nfs/dbraw/zinc/38/60/11/721386011.db2.gz PAHMDCNFZNYYLR-NYMACZPPSA-N 0 0 498.986 4.912 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164783769 721386096 /nfs/dbraw/zinc/38/60/96/721386096.db2.gz PAHMDCNFZNYYLR-QGUKFAFCSA-N 0 0 498.986 4.912 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164783766 721386153 /nfs/dbraw/zinc/38/61/53/721386153.db2.gz PAHMDCNFZNYYLR-MZBJOSPHSA-N 0 0 498.986 4.912 20 0 JJADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)n1 ZINC001164783965 721410628 /nfs/dbraw/zinc/41/06/28/721410628.db2.gz JPTAQVTVSWHAOP-NHCUHLMSSA-N 0 0 475.021 4.884 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781726 721413480 /nfs/dbraw/zinc/41/34/80/721413480.db2.gz DJQDYFBLDRYQKF-TXEJJXNPSA-N 0 0 456.349 4.506 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164787260 721431918 /nfs/dbraw/zinc/43/19/18/721431918.db2.gz PSICTJOCLZBRJB-ROUUACIJSA-N 0 0 463.632 4.529 20 0 JJADRN Fc1ccc(-c2nc(Cl)cc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)n2)cc1Cl ZINC001164791059 721434712 /nfs/dbraw/zinc/43/47/12/721434712.db2.gz ZJUANKHBYSRGRS-ZIAGYGMSSA-N 0 0 450.370 4.614 20 0 JJADRN Fc1ccc(-c2nc(Cl)cc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)n2)cc1Cl ZINC001164791056 721434832 /nfs/dbraw/zinc/43/48/32/721434832.db2.gz ZJUANKHBYSRGRS-OKILXGFUSA-N 0 0 450.370 4.614 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164786302 721439239 /nfs/dbraw/zinc/43/92/39/721439239.db2.gz UOQCLOAAJUUSDC-GASCZTMLSA-N 0 0 465.932 4.506 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164786308 721441372 /nfs/dbraw/zinc/44/13/72/721441372.db2.gz UQEMVDUWENHECC-NRFANRHFSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164780460 721441926 /nfs/dbraw/zinc/44/19/26/721441926.db2.gz BACJPOAEVXRKFB-QFIPXVFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164786506 721442434 /nfs/dbraw/zinc/44/24/34/721442434.db2.gz VEHNCEWBBXQFGB-HXUWFJFHSA-N 0 0 485.922 4.989 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2F)CCO3)cs1 ZINC001164784867 721443550 /nfs/dbraw/zinc/44/35/50/721443550.db2.gz QZCAULVWDUTZPS-AUUYWEPGSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)c(F)c2)CCO3)cs1 ZINC001164781911 721443735 /nfs/dbraw/zinc/44/37/35/721443735.db2.gz HIQNAZAZNQUWGA-IFXJQAMLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cc2C)CCO3)cs1 ZINC001164781018 721443915 /nfs/dbraw/zinc/44/39/15/721443915.db2.gz FEULXDZLVRNQIA-JXFKEZNVSA-N 0 0 457.974 4.946 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3csc(C)n3)C2)nc1Cl ZINC001164782024 721443974 /nfs/dbraw/zinc/44/39/74/721443974.db2.gz IFBUNNLNWBFNBK-YWZLYKJASA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)cc2C)CCO3)cs1 ZINC001164781022 721444180 /nfs/dbraw/zinc/44/41/80/721444180.db2.gz FEULXDZLVRNQIA-OXQOHEQNSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)cs1 ZINC001164782532 721445056 /nfs/dbraw/zinc/44/50/56/721445056.db2.gz KBDDBVIOQAMIBD-QVKFZJNVSA-N 0 0 485.000 4.521 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)O1 ZINC001164885453 721459780 /nfs/dbraw/zinc/45/97/80/721459780.db2.gz DVJFNPRPEBFXLK-FKBYEOEOSA-N 0 0 498.961 4.758 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2=O)cs1 ZINC001164889671 721460809 /nfs/dbraw/zinc/46/08/09/721460809.db2.gz PCWDWZUVAUNYKN-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2=O)cs1 ZINC001164887108 721461291 /nfs/dbraw/zinc/46/12/91/721461291.db2.gz ISQLOLITBIRQRR-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)C2=O)cs1 ZINC001164889124 721461996 /nfs/dbraw/zinc/46/19/96/721461996.db2.gz NRFYNHLYSRMQDQ-SFHVURJKSA-N 0 0 477.364 4.597 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164889032 721465300 /nfs/dbraw/zinc/46/53/00/721465300.db2.gz HDHQISCMURABGZ-CTNGQTDRSA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC[C@@H]21 ZINC001164894746 721468150 /nfs/dbraw/zinc/46/81/50/721468150.db2.gz YJGNHLLKNAKQNB-BEFAXECRSA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164888242 721468841 /nfs/dbraw/zinc/46/88/41/721468841.db2.gz FLVUTYJZIHMDEB-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164895036 721470296 /nfs/dbraw/zinc/47/02/96/721470296.db2.gz ZIEFDJLLBKBREF-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164894253 721470940 /nfs/dbraw/zinc/47/09/40/721470940.db2.gz WOQKKYXGCQFVKK-SFHVURJKSA-N 0 0 487.982 4.994 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC2)C1=O ZINC001164895644 721472013 /nfs/dbraw/zinc/47/20/13/721472013.db2.gz STVBQAAKWIYRRU-UHFFFAOYSA-N 0 0 456.924 4.629 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC2)C1=O ZINC001164893493 721473184 /nfs/dbraw/zinc/47/31/84/721473184.db2.gz JVHJBQMNQNLXTL-UHFFFAOYSA-N 0 0 456.924 4.629 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC2)C1=O ZINC001164896086 721473658 /nfs/dbraw/zinc/47/36/58/721473658.db2.gz UPZYQOOUPFJJIJ-UHFFFAOYSA-N 0 0 483.950 4.538 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164894624 721475037 /nfs/dbraw/zinc/47/50/37/721475037.db2.gz PCVDLXOVSMXYQL-QFIPXVFZSA-N 0 0 475.902 4.524 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164894623 721475058 /nfs/dbraw/zinc/47/50/58/721475058.db2.gz PCVDLXOVSMXYQL-JOCHJYFZSA-N 0 0 475.902 4.524 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164893974 721475267 /nfs/dbraw/zinc/47/52/67/721475267.db2.gz LEANORAOIMIVLZ-QHCPKHFHSA-N 0 0 456.924 4.990 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCCn4nnc(CNc5cccnc5)c4C3)c(Cl)nn2)c1 ZINC001164790921 721475304 /nfs/dbraw/zinc/47/53/04/721475304.db2.gz HQGBDXUFYWJPCE-UHFFFAOYSA-N 0 0 496.953 4.659 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164793474 721475607 /nfs/dbraw/zinc/47/56/07/721475607.db2.gz VYWAYGZGJGFDEH-UHFFFAOYSA-N 0 0 471.899 4.549 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001164891441 721475766 /nfs/dbraw/zinc/47/57/66/721475766.db2.gz CGYFYFCZPNUQSY-HXUWFJFHSA-N 0 0 452.958 4.558 20 0 JJADRN CCOC[C@H]1CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164789066 721477672 /nfs/dbraw/zinc/47/76/72/721477672.db2.gz ARBWJZPYIWKMPC-AZUAARDMSA-N 0 0 494.709 4.676 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)Cc2cnn(C)c21 ZINC001164793493 721478092 /nfs/dbraw/zinc/47/80/92/721478092.db2.gz WGTNDCXCXGGTTH-INIZCTEOSA-N 0 0 450.892 4.960 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)Cc2cnn(C)c21 ZINC001164792401 721478160 /nfs/dbraw/zinc/47/81/60/721478160.db2.gz NIHDXPFXOQLIMB-OAHLLOKOSA-N 0 0 450.892 4.960 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)Cc2cnn(C)c21 ZINC001164793705 721478919 /nfs/dbraw/zinc/47/89/19/721478919.db2.gz XXZIYFBGBWXMEG-QGZVFWFLSA-N 0 0 462.928 4.829 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)cnc2Cl)c1 ZINC001164792631 721483977 /nfs/dbraw/zinc/48/39/77/721483977.db2.gz ODLPCZDEHLVBRG-BVSLBCMMSA-N 0 0 491.966 4.651 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164894333 721488026 /nfs/dbraw/zinc/48/80/26/721488026.db2.gz HKTAPHVZNRKMAT-KRWDZBQOSA-N 0 0 484.938 4.685 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)c(Cl)nn1 ZINC001164792513 721488806 /nfs/dbraw/zinc/48/88/06/721488806.db2.gz JWTBQAVXTXXPBY-RCDICMHDSA-N 0 0 494.876 4.547 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)cc1 ZINC001164793404 721488856 /nfs/dbraw/zinc/48/88/56/721488856.db2.gz RPMGGJXGKJKZKY-QRQCRPRQSA-N 0 0 494.876 4.547 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)c(Cl)nn2)cc1 ZINC001164901913 721491300 /nfs/dbraw/zinc/49/13/00/721491300.db2.gz XPPHRLMNDIOLHA-SFHVURJKSA-N 0 0 490.982 4.695 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897943 721491568 /nfs/dbraw/zinc/49/15/68/721491568.db2.gz FPXIBPRVUAKFMT-KRWDZBQOSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(SC)n3)CC2)c2ccc(C)cc21 ZINC001164901878 721491602 /nfs/dbraw/zinc/49/16/02/721491602.db2.gz WTQKFHUEPQCJJC-INIZCTEOSA-N 0 0 482.000 4.617 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164897490 721501580 /nfs/dbraw/zinc/50/15/80/721501580.db2.gz MBXOHNZUOGGCMK-AWEZNQCLSA-N 0 0 470.775 4.734 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164895082 721501611 /nfs/dbraw/zinc/50/16/11/721501611.db2.gz AHYOZNFTIRRHEI-IBGZPJMESA-N 0 0 451.945 4.581 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164897521 721505532 /nfs/dbraw/zinc/50/55/32/721505532.db2.gz NDEDALAIFOXKMA-GOSISDBHSA-N 0 0 487.913 4.519 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164796232 721506565 /nfs/dbraw/zinc/50/65/65/721506565.db2.gz QFEFFADTUCSHBW-VFNWGFHPSA-N 0 0 451.901 4.537 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC2)N1Cc1ccncc1 ZINC001164901381 721506553 /nfs/dbraw/zinc/50/65/53/721506553.db2.gz WUQIIJJRYIWWRT-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795769 721506855 /nfs/dbraw/zinc/50/68/55/721506855.db2.gz MYFGBBJFUSLAAF-ZHRRBRCNSA-N 0 0 457.912 4.817 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795288 721506864 /nfs/dbraw/zinc/50/68/64/721506864.db2.gz JWILQKORYWRBJQ-VGSWGCGISA-N 0 0 457.912 4.817 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795767 721506894 /nfs/dbraw/zinc/50/68/94/721506894.db2.gz MYFGBBJFUSLAAF-KSFYIVLOSA-N 0 0 457.912 4.817 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795768 721507044 /nfs/dbraw/zinc/50/70/44/721507044.db2.gz MYFGBBJFUSLAAF-OPAMFIHVSA-N 0 0 457.912 4.817 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795766 721507237 /nfs/dbraw/zinc/50/72/37/721507237.db2.gz MYFGBBJFUSLAAF-AOMKIAJQSA-N 0 0 457.912 4.817 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164799863 721542068 /nfs/dbraw/zinc/54/20/68/721542068.db2.gz BJYIQTSKOLVULN-ZDXQCDESSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805183 721542152 /nfs/dbraw/zinc/54/21/52/721542152.db2.gz LBIKMCGMRPBPRS-OGHNNQOOSA-N 0 0 462.208 4.958 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164798949 721542467 /nfs/dbraw/zinc/54/24/67/721542467.db2.gz AFOQUCUYWGLUQO-AQNXPRMDSA-N 0 0 478.811 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@H]12 ZINC001164809418 721559258 /nfs/dbraw/zinc/55/92/58/721559258.db2.gz XEBBSJNUUZFLAR-NSHGMRRFSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164801640 721562620 /nfs/dbraw/zinc/56/26/20/721562620.db2.gz GYYOLRVFGJYYFI-SJBKTWHCSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807993 721575013 /nfs/dbraw/zinc/57/50/13/721575013.db2.gz UHCFIKHUQCSBSH-BRWVUGGUSA-N 0 0 477.770 4.850 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c3ccccc32)cc1 ZINC001164798622 721576371 /nfs/dbraw/zinc/57/63/71/721576371.db2.gz BPMJGOWCRDGYFI-NSVAZKTRSA-N 0 0 465.601 4.868 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2c(Cl)ncnc2c1 ZINC001164903661 721577442 /nfs/dbraw/zinc/57/74/42/721577442.db2.gz QZYLJYPHGFLBGZ-NRFANRHFSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164903873 721577583 /nfs/dbraw/zinc/57/75/83/721577583.db2.gz SENYBFDVEBSPPL-GOSISDBHSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164905074 721577596 /nfs/dbraw/zinc/57/75/96/721577596.db2.gz YGIPUCAGNUVWSR-NRFANRHFSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164901098 721577693 /nfs/dbraw/zinc/57/76/93/721577693.db2.gz BWXFPJUOGRGMMH-GOSISDBHSA-N 0 0 475.367 4.697 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164902470 721578183 /nfs/dbraw/zinc/57/81/83/721578183.db2.gz FFEUSPSBNFPCKN-GOSISDBHSA-N 0 0 479.959 4.525 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809583 721578369 /nfs/dbraw/zinc/57/83/69/721578369.db2.gz UAJDLUYJNKAAJZ-SLQPCKNISA-N 0 0 469.564 4.699 20 0 JJADRN CSCc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164810178 721579039 /nfs/dbraw/zinc/57/90/39/721579039.db2.gz UXVFAQBKOHMWMZ-MZLICYQSSA-N 0 0 495.718 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@@H]2CCCO[C@H]12 ZINC001164805221 721580299 /nfs/dbraw/zinc/58/02/99/721580299.db2.gz LAVBXKMLYLPNIO-AKFKNWHVSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810754 721580303 /nfs/dbraw/zinc/58/03/03/721580303.db2.gz WBNXHVPKUCCPMS-YTFSRNRJSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]12 ZINC001164806258 721589618 /nfs/dbraw/zinc/58/96/18/721589618.db2.gz MPVHZIQOQZMZFN-KSEOMHKRSA-N 0 0 486.403 4.839 20 0 JJADRN CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164804089 721590274 /nfs/dbraw/zinc/59/02/74/721590274.db2.gz IHIHUWSFOHCISZ-YFNKSVMNSA-N 0 0 480.012 4.748 20 0 JJADRN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)n1 ZINC001164806231 721593062 /nfs/dbraw/zinc/59/30/62/721593062.db2.gz MMGJGSUYAQKFGK-QGZVFWFLSA-N 0 0 478.971 4.803 20 0 JJADRN COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 ZINC001164800749 721593471 /nfs/dbraw/zinc/59/34/71/721593471.db2.gz PFLKNSOYVXNXLU-MRXNPFEDSA-N 0 0 494.970 4.504 20 0 JJADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164802224 721600042 /nfs/dbraw/zinc/60/00/42/721600042.db2.gz RTZHMHJZEILBTA-UHFFFAOYSA-N 0 0 460.912 4.970 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3CCn5cnc(COCC6CC6)c5C3)n2)CCC4)CC1 ZINC001164800856 721600135 /nfs/dbraw/zinc/60/01/35/721600135.db2.gz NBIDZEAWDPQYCF-UHFFFAOYSA-N 0 0 492.693 4.555 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164802932 721600827 /nfs/dbraw/zinc/60/08/27/721600827.db2.gz UEHQIWFMDUVZEN-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164804993 721601343 /nfs/dbraw/zinc/60/13/43/721601343.db2.gz ZEDPWKCYPGPHSS-OXQOHEQNSA-N 0 0 457.352 4.941 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164805278 721601478 /nfs/dbraw/zinc/60/14/78/721601478.db2.gz ZPZAOHQBOJUQEK-MBSDFSHPSA-N 0 0 479.955 4.983 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c1 ZINC001164798331 721601508 /nfs/dbraw/zinc/60/15/08/721601508.db2.gz DSRVDJPFTCHIKG-GCJKJVERSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798258 721601514 /nfs/dbraw/zinc/60/15/14/721601514.db2.gz DDTPXXKFMJOLQN-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C3)c1 ZINC001164804393 721601703 /nfs/dbraw/zinc/60/17/03/721601703.db2.gz YJVOGSQGBBVIPD-GCJKJVERSA-N 0 0 480.943 4.899 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164801094 721601891 /nfs/dbraw/zinc/60/18/91/721601891.db2.gz NUSNBIVJMCXPPV-IERDGZPVSA-N 0 0 479.984 4.897 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c(Cl)n1 ZINC001164797558 721604062 /nfs/dbraw/zinc/60/40/62/721604062.db2.gz BWNFALVXCKFBRO-KRWDZBQOSA-N 0 0 495.954 4.554 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001164799599 721606828 /nfs/dbraw/zinc/60/68/28/721606828.db2.gz BEGCLCQSQAKHQB-JOCHJYFZSA-N 0 0 491.995 4.851 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009166 721692299 /nfs/dbraw/zinc/69/22/99/721692299.db2.gz NVCGPEQGWSFZSB-OFSQETHSSA-N 0 0 476.955 4.955 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)C2 ZINC001165010735 721704026 /nfs/dbraw/zinc/70/40/26/721704026.db2.gz LIKBFLFJQCWWLJ-UHFFFAOYSA-N 0 0 462.001 4.792 20 0 JJADRN Cc1sc2nc(-c3cccs3)nc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c2c1C ZINC001165009096 721714352 /nfs/dbraw/zinc/71/43/52/721714352.db2.gz PHHRCPVSAZJLGH-UHFFFAOYSA-N 0 0 467.668 4.879 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)C2 ZINC001165011350 721717844 /nfs/dbraw/zinc/71/78/44/721717844.db2.gz PIEAMHRQZBFXHF-UHFFFAOYSA-N 0 0 469.593 4.778 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(CN3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001165007335 721726570 /nfs/dbraw/zinc/72/65/70/721726570.db2.gz BJWRZXZUZBXBKW-MHZLTWQESA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001165007458 721728485 /nfs/dbraw/zinc/72/84/85/721728485.db2.gz CZSDSPNDBAEVNN-OAQYLSRUSA-N 0 0 452.908 4.708 20 0 JJADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001165011868 721735512 /nfs/dbraw/zinc/73/55/12/721735512.db2.gz VEXJQQDUIQGNCZ-UHFFFAOYSA-N 0 0 471.379 4.610 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccnc(Cl)c1F)C[C@@H]2c1ccccc1 ZINC001164912585 721739727 /nfs/dbraw/zinc/73/97/27/721739727.db2.gz OAPCYKSUEZJDQH-AUSIDOKSSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1nc(Cl)ccc1F)C[C@H]2c1ccccc1 ZINC001164912665 721740926 /nfs/dbraw/zinc/74/09/26/721740926.db2.gz PERMOSNBKKWORH-MBSDFSHPSA-N 0 0 472.898 4.841 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c(Cl)n1 ZINC001164911225 721740973 /nfs/dbraw/zinc/74/09/73/721740973.db2.gz IWLLXTBAUSVWFB-GBXCKJPGSA-N 0 0 484.934 4.711 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(c1nc(Cl)ccc1CN1CCCC1)C[C@H]2c1ccccc1 ZINC001164912186 721741493 /nfs/dbraw/zinc/74/14/93/721741493.db2.gz MLYWCIVSTXSIGP-CUBQBAPOSA-N 0 0 488.035 4.753 20 0 JJADRN CCOC(=O)c1cnc(Cl)c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1Cl ZINC001164908930 721749685 /nfs/dbraw/zinc/74/96/85/721749685.db2.gz ORGBEMMEMQQAPS-UHFFFAOYSA-N 0 0 475.376 4.748 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164912213 721759750 /nfs/dbraw/zinc/75/97/50/721759750.db2.gz VKYCNIIEWDYLOZ-UHFFFAOYSA-N 0 0 496.949 4.920 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164910973 721761060 /nfs/dbraw/zinc/76/10/60/721761060.db2.gz MPNXNNSWUGXVQR-UHFFFAOYSA-N 0 0 462.557 4.875 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)[C@@H]2C1 ZINC001165014656 721769715 /nfs/dbraw/zinc/76/97/15/721769715.db2.gz DNYHZYBCYYXCPL-MLGOLLRUSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)[C@@H]2C1 ZINC001165017497 721770666 /nfs/dbraw/zinc/77/06/66/721770666.db2.gz RDHYFWPAGUDPDF-BLLLJJGKSA-N 0 0 467.303 4.816 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165017140 721772359 /nfs/dbraw/zinc/77/23/59/721772359.db2.gz QWWKCFUMDQRGAC-UXHICEINSA-N 0 0 479.650 4.628 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)[C@@H]2C1 ZINC001165019681 721772638 /nfs/dbraw/zinc/77/26/38/721772638.db2.gz XBLJDFWEZLBREV-QFBILLFUSA-N 0 0 458.896 4.676 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c(Cl)nn2)c1 ZINC001165015098 721773477 /nfs/dbraw/zinc/77/34/77/721773477.db2.gz IMTNKXJYLPVFJC-OXQOHEQNSA-N 0 0 488.922 4.685 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(Cl)nn1 ZINC001165018988 721773713 /nfs/dbraw/zinc/77/37/13/721773713.db2.gz VGEGCXUXMJDXML-KXBFYZLASA-N 0 0 488.922 4.685 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165017272 721780721 /nfs/dbraw/zinc/78/07/21/721780721.db2.gz GDNCNQRVCQUIIW-LMMKCTJWSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165020102 721784386 /nfs/dbraw/zinc/78/43/86/721784386.db2.gz LOACCKMPPIVODW-QHCPKHFHSA-N 0 0 485.922 4.640 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@@H]2CN1c1cccnc1 ZINC001165018898 721793303 /nfs/dbraw/zinc/79/33/03/721793303.db2.gz ISEOWSRRSYDHQT-OXQOHEQNSA-N 0 0 491.929 4.989 20 0 JJADRN c1cncc(CN2CCOC[C@@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914642 721798458 /nfs/dbraw/zinc/79/84/58/721798458.db2.gz OSQWJKZINSMPQQ-PMERELPUSA-N 0 0 499.659 4.694 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164916953 721802956 /nfs/dbraw/zinc/80/29/56/721802956.db2.gz SXTWSTKRHJTMBR-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915081 721802964 /nfs/dbraw/zinc/80/29/64/721802964.db2.gz HUORHKAVQFOYKV-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915489 721802966 /nfs/dbraw/zinc/80/29/66/721802966.db2.gz KXFVAUISMPTDSW-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCc4ncnc(C5CC5)c4CC3)c(Cl)nn2)c1 ZINC001164916909 721804450 /nfs/dbraw/zinc/80/44/50/721804450.db2.gz RXYLDFJIMFSUFP-UHFFFAOYSA-N 0 0 457.912 4.623 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914184 721805233 /nfs/dbraw/zinc/80/52/33/721805233.db2.gz AUVIVBWEVYYXCT-UGKGYDQZSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917647 721807775 /nfs/dbraw/zinc/80/77/75/721807775.db2.gz WNPVVJZQIZTQBD-SIKLNZKXSA-N 0 0 458.896 4.554 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164918884 721808037 /nfs/dbraw/zinc/80/80/37/721808037.db2.gz UKZSREBPNWUUQO-XXBNENTESA-N 0 0 472.923 4.862 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919184 721808086 /nfs/dbraw/zinc/80/80/86/721808086.db2.gz WEPVYTYYCAVKEC-XXBNENTESA-N 0 0 488.922 4.562 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164916330 721808336 /nfs/dbraw/zinc/80/83/36/721808336.db2.gz GZEYMUKOKUXIGQ-GCJKJVERSA-N 0 0 476.886 4.693 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)nc(Cl)c2c1 ZINC001164916265 721809799 /nfs/dbraw/zinc/80/97/99/721809799.db2.gz GGLNQFCSSUUOHS-BJOOFOGMSA-N 0 0 484.931 4.624 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)c2c1C ZINC001164916297 721811034 /nfs/dbraw/zinc/81/10/34/721811034.db2.gz GKNYBWMOMJOTJD-YCRNBWNJSA-N 0 0 499.706 4.561 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917110 721811817 /nfs/dbraw/zinc/81/18/17/721811817.db2.gz KQQMYNQSPXNRFN-POZUXBRTSA-N 0 0 455.958 4.814 20 0 JJADRN FC(F)(N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164918857 721811860 /nfs/dbraw/zinc/81/18/60/721811860.db2.gz UGRRRLPPRBLPIG-SIXWZSSISA-N 0 0 455.958 4.512 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164917168 721816757 /nfs/dbraw/zinc/81/67/57/721816757.db2.gz CPXBBUUVYIYWSZ-UHFFFAOYSA-N 0 0 458.997 4.896 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164917194 721817638 /nfs/dbraw/zinc/81/76/38/721817638.db2.gz DCIHQRIFSJMPSG-UHFFFAOYSA-N 0 0 465.026 4.958 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164918572 721818853 /nfs/dbraw/zinc/81/88/53/721818853.db2.gz PVHKDRXJDKFPPV-UHFFFAOYSA-N 0 0 460.532 4.521 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001165023848 721832791 /nfs/dbraw/zinc/83/27/91/721832791.db2.gz WNSLRKHNAPZGCK-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001165024126 721833035 /nfs/dbraw/zinc/83/30/35/721833035.db2.gz ZHPKEEIJYPTGSR-QFIPXVFZSA-N 0 0 456.880 4.554 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001165024121 721833055 /nfs/dbraw/zinc/83/30/55/721833055.db2.gz ZHPKEEIJYPTGSR-JOCHJYFZSA-N 0 0 456.880 4.554 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001165020059 721833140 /nfs/dbraw/zinc/83/31/40/721833140.db2.gz BRYMATNVJVVAKT-UHFFFAOYSA-N 0 0 491.636 4.795 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001165020096 721833154 /nfs/dbraw/zinc/83/31/54/721833154.db2.gz CWRUOGHXHMQCPG-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001165022573 721833191 /nfs/dbraw/zinc/83/31/91/721833191.db2.gz QLGUIFJJPUIMPY-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164926170 721836655 /nfs/dbraw/zinc/83/66/55/721836655.db2.gz QLPMKJSXHVBQIA-SGTLLEGYSA-N 0 0 478.758 4.641 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164924590 721838186 /nfs/dbraw/zinc/83/81/86/721838186.db2.gz NIUWRBQUZIBYRX-SZNDQCEHSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164921733 721839202 /nfs/dbraw/zinc/83/92/02/721839202.db2.gz FLJGVSZZSFLCGL-BTYIYWSLSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164921152 721839237 /nfs/dbraw/zinc/83/92/37/721839237.db2.gz CAUNLKBHNFDNDC-SZNDQCEHSA-N 0 0 481.330 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164924733 721840996 /nfs/dbraw/zinc/84/09/96/721840996.db2.gz YTVDUKOYMVORDM-NTKDMRAZSA-N 0 0 486.950 4.715 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164922032 721841373 /nfs/dbraw/zinc/84/13/73/721841373.db2.gz PTWBZCXGWUZHNN-UZUQRXQVSA-N 0 0 490.913 4.546 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[C@@H]3CCC(=O)N4C)n2)CC1 ZINC001164934934 721893231 /nfs/dbraw/zinc/89/32/31/721893231.db2.gz UMCROLHWDMDEFB-OALUTQOASA-N 0 0 481.691 4.851 20 0 JJADRN CN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932837 721893263 /nfs/dbraw/zinc/89/32/63/721893263.db2.gz JAXVCKWEAYKKEH-NHCUHLMSSA-N 0 0 461.635 4.544 20 0 JJADRN CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164932836 721893347 /nfs/dbraw/zinc/89/33/47/721893347.db2.gz JAXVCKWEAYKKEH-LEWJYISDSA-N 0 0 461.635 4.544 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@@H]21)NC1CCC1 ZINC001164933433 721897482 /nfs/dbraw/zinc/89/74/82/721897482.db2.gz LZBDAXJCICTIAJ-BUKVSMQUSA-N 0 0 493.957 4.986 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H](CO[C@@H]4CC(=O)NC4CCC4)C3)c(Cl)nn2)cc1 ZINC001164935344 721898061 /nfs/dbraw/zinc/89/80/61/721898061.db2.gz VQSPJAQWYAWGSG-SFGWALBWSA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927051 721898610 /nfs/dbraw/zinc/89/86/10/721898610.db2.gz FTUZMRBBXFIVLB-QHCPKHFHSA-N 0 0 467.907 4.897 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2nc(-c4ccc(Cl)cc4)nc4ccccc42)CC3)n1 ZINC001164934080 721905141 /nfs/dbraw/zinc/90/51/41/721905141.db2.gz UUHZCXIMVYXHSS-UHFFFAOYSA-N 0 0 489.023 4.555 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2nc(-c4ccccc4)nc4ccc(Cl)cc42)CC3)n1 ZINC001164935163 721906139 /nfs/dbraw/zinc/90/61/39/721906139.db2.gz ASBCXXSOQGWYEX-UHFFFAOYSA-N 0 0 489.023 4.555 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164935447 721910759 /nfs/dbraw/zinc/91/07/59/721910759.db2.gz KZJJGFNNYHEJKX-WBMJQRKESA-N 0 0 481.305 4.972 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165044653 721939861 /nfs/dbraw/zinc/93/98/61/721939861.db2.gz QOTPZKNMVLVELM-UHFFFAOYSA-N 0 0 461.303 4.751 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165043756 721940121 /nfs/dbraw/zinc/94/01/21/721940121.db2.gz FRCQDIQIVNQJFJ-UHFFFAOYSA-N 0 0 481.359 4.899 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164947617 721943698 /nfs/dbraw/zinc/94/36/98/721943698.db2.gz XXEDVDMXSUXKGL-WOJBJXKFSA-N 0 0 483.346 4.781 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C[C@H]21 ZINC001164941957 721944434 /nfs/dbraw/zinc/94/44/34/721944434.db2.gz JFUMCRZKOWVQID-RPBOFIJWSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C[C@@H]21 ZINC001164941954 721944486 /nfs/dbraw/zinc/94/44/86/721944486.db2.gz JFUMCRZKOWVQID-DQEYMECFSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@H]21 ZINC001164947860 721945095 /nfs/dbraw/zinc/94/50/95/721945095.db2.gz YISAHVDAKNEQFW-RPWUZVMVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@H]21 ZINC001164947789 721949285 /nfs/dbraw/zinc/94/92/85/721949285.db2.gz XYNRBAQUCPHGKT-KAYWLYCHSA-N 0 0 470.573 4.508 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164941760 721949711 /nfs/dbraw/zinc/94/97/11/721949711.db2.gz IMQPTLHJZUVQIG-RPWUZVMVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@@H]21 ZINC001164943255 721955799 /nfs/dbraw/zinc/95/57/99/721955799.db2.gz HHPKICRVUYZZFJ-BJKOFHAPSA-N 0 0 475.980 4.645 20 0 JJADRN COc1ccc2c(c1)nc(N1C[C@@H]3[C@H](C1)OCCN3Cc1c(C)noc1C)cc2-c1ccccc1 ZINC001164942370 721956544 /nfs/dbraw/zinc/95/65/44/721956544.db2.gz DUNMQOXHDLBHNG-SXOMAYOGSA-N 0 0 470.573 4.605 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@@H]21 ZINC001164950919 721959053 /nfs/dbraw/zinc/95/90/53/721959053.db2.gz XYFRAGGQPMAICI-GOTSBHOMSA-N 0 0 473.602 4.567 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]21 ZINC001164947478 721960705 /nfs/dbraw/zinc/96/07/05/721960705.db2.gz PYZBVFSYYKQINS-VXKWHMMOSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc(C5CCCCC5)cc4)nn3)C[C@@H]21 ZINC001164943600 721961042 /nfs/dbraw/zinc/96/10/42/721961042.db2.gz IISQRDUGNBBPCD-SVBPBHIXSA-N 0 0 473.621 4.886 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]12 ZINC001164942371 721965076 /nfs/dbraw/zinc/96/50/76/721965076.db2.gz BIVTZTKRZPXICO-OFNKIYASSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]12 ZINC001164949977 721965458 /nfs/dbraw/zinc/96/54/58/721965458.db2.gz ZPATVJWPVJJWST-GMAHTHKFSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@@H]12 ZINC001164948239 721965576 /nfs/dbraw/zinc/96/55/76/721965576.db2.gz SLXDARZQAQRMCL-UTKZUKDTSA-N 0 0 462.953 4.659 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@H]12 ZINC001164948233 721965587 /nfs/dbraw/zinc/96/55/87/721965587.db2.gz SLXDARZQAQRMCL-LAUBAEHRSA-N 0 0 462.953 4.659 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@H]12 ZINC001164947148 721966514 /nfs/dbraw/zinc/96/65/14/721966514.db2.gz PUICHEQDDXDLCA-GMAHTHKFSA-N 0 0 456.924 4.597 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1Cl ZINC001164947081 721966587 /nfs/dbraw/zinc/96/65/87/721966587.db2.gz PBVALXOJHYYMFB-PZJWPPBQSA-N 0 0 451.970 4.771 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@]4(c5ccccc5)CCN(C(C)=O)[C@@H]4C3)nc(Cl)c2c1 ZINC001164948930 721967639 /nfs/dbraw/zinc/96/76/39/721967639.db2.gz VVLZSZQMJOYCNO-QPPBQGQZSA-N 0 0 486.950 4.606 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1 ZINC001164946064 721978492 /nfs/dbraw/zinc/97/84/92/721978492.db2.gz JIIZIFQXKLYWFO-UHFFFAOYSA-N 0 0 489.670 4.699 20 0 JJADRN COC[C@@]12COC[C@@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952892 721995192 /nfs/dbraw/zinc/99/51/92/721995192.db2.gz QUIGITXYXGYZFZ-XDHUDOTRSA-N 0 0 470.664 4.505 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164950346 721997683 /nfs/dbraw/zinc/99/76/83/721997683.db2.gz IHNOLGCSLVYOLA-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164952716 721998417 /nfs/dbraw/zinc/99/84/17/721998417.db2.gz UCAAZZNMEYRTSQ-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]21 ZINC001164950005 722005697 /nfs/dbraw/zinc/00/56/97/722005697.db2.gz BATXKBZXCMWMMO-HOTGVXAUSA-N 0 0 473.911 4.549 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164951806 722006665 /nfs/dbraw/zinc/00/66/65/722006665.db2.gz JGYNJJZKNXCUJU-UHFFFAOYSA-N 0 0 493.949 4.862 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)cnc2Cl)c1 ZINC001164955561 722011586 /nfs/dbraw/zinc/01/15/86/722011586.db2.gz WQMHSUTZQMTOIW-AUSIDOKSSA-N 0 0 478.971 4.654 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)n1 ZINC001164957455 722026001 /nfs/dbraw/zinc/02/60/01/722026001.db2.gz CCYPNHMGAPPJOY-RXVVDRJESA-N 0 0 485.000 4.693 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)cc2C)C3)n1 ZINC001164961403 722026542 /nfs/dbraw/zinc/02/65/42/722026542.db2.gz NPJPMZGLOKXMLZ-UNMCSNQZSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c1 ZINC001164960585 722026781 /nfs/dbraw/zinc/02/67/81/722026781.db2.gz LBEVOFPUJCAFNN-IFMALSPDSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)n1 ZINC001164964998 722027376 /nfs/dbraw/zinc/02/73/76/722027376.db2.gz YUWLPYHNYCBBIZ-GGAORHGYSA-N 0 0 478.971 4.848 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164956074 722035713 /nfs/dbraw/zinc/03/57/13/722035713.db2.gz BOQUOTVWVWASRE-PGRDOPGGSA-N 0 0 474.964 4.936 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@@H]3O2)n1 ZINC001164957261 722043414 /nfs/dbraw/zinc/04/34/14/722043414.db2.gz ANLFMWFQFQGQHW-AYBZRNKSSA-N 0 0 452.933 4.855 20 0 JJADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960387 722050135 /nfs/dbraw/zinc/05/01/35/722050135.db2.gz VROHTZQDTXOCJT-UHFFFAOYSA-N 0 0 480.910 4.645 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164966652 722065569 /nfs/dbraw/zinc/06/55/69/722065569.db2.gz WMCPQICXBPCINP-MSOLQXFVSA-N 0 0 476.936 4.777 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164968205 722078507 /nfs/dbraw/zinc/07/85/07/722078507.db2.gz VXRQLQCXCXMNHR-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164967661 722078527 /nfs/dbraw/zinc/07/85/27/722078527.db2.gz IASDVIBMWGKZIW-UHFFFAOYSA-N 0 0 468.935 4.801 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164968644 722081349 /nfs/dbraw/zinc/08/13/49/722081349.db2.gz CYTXXOLRDKWTMC-IMFGXOCKSA-N 0 0 491.995 4.721 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968574 722081914 /nfs/dbraw/zinc/08/19/14/722081914.db2.gz CJLGUQOEJVMOCN-RBBKRZOGSA-N 0 0 489.925 4.826 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969335 722082946 /nfs/dbraw/zinc/08/29/46/722082946.db2.gz MZJWEQQSJNUAIY-UHFFFAOYSA-N 0 0 475.908 4.928 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5CC(C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978390 722085564 /nfs/dbraw/zinc/08/55/64/722085564.db2.gz YWFYSFDLPBROPX-MISYRCLQSA-N 0 0 493.721 4.543 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164971530 722086164 /nfs/dbraw/zinc/08/61/64/722086164.db2.gz JMGCWPLAGBEAEE-QZTJIDSGSA-N 0 0 460.956 4.781 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164977778 722091221 /nfs/dbraw/zinc/09/12/21/722091221.db2.gz WAJFQFFRNPBGKA-AWEZNQCLSA-N 0 0 454.974 4.803 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164977782 722091236 /nfs/dbraw/zinc/09/12/36/722091236.db2.gz WAJFQFFRNPBGKA-CQSZACIVSA-N 0 0 454.974 4.803 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164979402 722091562 /nfs/dbraw/zinc/09/15/62/722091562.db2.gz ZJZYICJQZLSTKD-HNNXBMFYSA-N 0 0 466.935 4.880 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164971321 722091642 /nfs/dbraw/zinc/09/16/42/722091642.db2.gz BDVIUGNOECFWNP-SFHVURJKSA-N 0 0 475.971 4.650 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164971320 722091696 /nfs/dbraw/zinc/09/16/96/722091696.db2.gz BDVIUGNOECFWNP-GOSISDBHSA-N 0 0 475.971 4.650 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164981952 722091861 /nfs/dbraw/zinc/09/18/61/722091861.db2.gz PRCQHQSOJKHSPP-QGZVFWFLSA-N 0 0 475.971 4.650 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]21 ZINC001164982101 722097705 /nfs/dbraw/zinc/09/77/05/722097705.db2.gz MVPLSYKZLZLVOZ-DBXWQHBBSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001164976491 722097797 /nfs/dbraw/zinc/09/77/97/722097797.db2.gz DNYNOGMFAFMPBF-CNNODRBYSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@H]21 ZINC001164984703 722097859 /nfs/dbraw/zinc/09/78/59/722097859.db2.gz UBKNVRZNSIJXKN-DBXWQHBBSA-N 0 0 456.924 4.979 20 0 JJADRN Cc1nc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc(Cl)c1C ZINC001164976254 722161101 /nfs/dbraw/zinc/16/11/01/722161101.db2.gz WCQDVLMCTMGYML-UHFFFAOYSA-N 0 0 460.956 4.977 20 0 JJADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1=O ZINC001164977441 722163169 /nfs/dbraw/zinc/16/31/69/722163169.db2.gz FKDHSBXZYZOWCN-QFIPXVFZSA-N 0 0 458.871 4.606 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)c(Cl)n1 ZINC001164978009 722165662 /nfs/dbraw/zinc/16/56/62/722165662.db2.gz OYPRGGSQPUMTOW-VGOFRKELSA-N 0 0 472.960 4.791 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)c(Cl)n1 ZINC001164978006 722165884 /nfs/dbraw/zinc/16/58/84/722165884.db2.gz OYPRGGSQPUMTOW-JTSKRJEESA-N 0 0 472.960 4.791 20 0 JJADRN c1ccc(CN2CCc3ncnc(N4C[C@@H]5c6ccccc6[C@@H](OCC6CC6)[C@@H]5C4)c3C2)cc1 ZINC001164973962 722170324 /nfs/dbraw/zinc/17/03/24/722170324.db2.gz DIVBYVBKAXMSIL-INNMJMHTSA-N 0 0 452.602 4.736 20 0 JJADRN c1ccc(CN2CCc3ncnc(N4C[C@H]5[C@H](C4)c4ccccc4[C@H]5OCC4CC4)c3C2)cc1 ZINC001164973956 722170451 /nfs/dbraw/zinc/17/04/51/722170451.db2.gz DIVBYVBKAXMSIL-CERRFVOPSA-N 0 0 452.602 4.736 20 0 JJADRN c1ccc(CN2CCc3c(ncnc3N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)C2)cc1 ZINC001164980477 722170752 /nfs/dbraw/zinc/17/07/52/722170752.db2.gz YIYFPBZRWUPMLE-STROYTFGSA-N 0 0 452.602 4.736 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4Cl)CC[C@H]32)cs1 ZINC001164984959 722175763 /nfs/dbraw/zinc/17/57/63/722175763.db2.gz HEIAASZUDIGWDG-SJORKVTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cc(C(C)(C)C)sc54)CC[C@@H]32)cs1 ZINC001164988008 722178574 /nfs/dbraw/zinc/17/85/74/722178574.db2.gz QBHJSXYTRXBDBQ-OALUTQOASA-N 0 0 457.669 4.624 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)CC[C@H]32)cs1 ZINC001164993551 722181160 /nfs/dbraw/zinc/18/11/60/722181160.db2.gz WLSYXBHWMBTWPC-MOPGFXCFSA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[C@@H]32)cs1 ZINC001164986649 722185355 /nfs/dbraw/zinc/18/53/55/722185355.db2.gz GBDRIKGLSHZQKX-AZUAARDMSA-N 0 0 495.983 4.570 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(Cc5ccc(Cl)cc5)c(C)n4)CC[C@H]32)cs1 ZINC001164987613 722186184 /nfs/dbraw/zinc/18/61/84/722186184.db2.gz KPYYITKHJLEYFS-JWQCQUIFSA-N 0 0 498.096 4.972 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164992141 722186228 /nfs/dbraw/zinc/18/62/28/722186228.db2.gz VFMGKSVVCVKSPC-OALUTQOASA-N 0 0 479.984 4.856 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164990280 722186259 /nfs/dbraw/zinc/18/62/59/722186259.db2.gz RDUUEZGBRTYAMO-KYNGSXCRSA-N 0 0 450.052 4.587 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4F)CC[C@H]32)cs1 ZINC001164985849 722186407 /nfs/dbraw/zinc/18/64/07/722186407.db2.gz CKZOQDDQIFBJRN-WIYYLYMNSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccc(C)cc4)CC[C@@H]32)cs1 ZINC001164988114 722186438 /nfs/dbraw/zinc/18/64/38/722186438.db2.gz LRUMJANCHQKCPO-RBBKRZOGSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccc(C)cc4)CC[C@H]32)cs1 ZINC001164988112 722186481 /nfs/dbraw/zinc/18/64/81/722186481.db2.gz LRUMJANCHQKCPO-IFMALSPDSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)Sc4ccc(Cl)nc4)CC[C@@H]32)cs1 ZINC001164992583 722186625 /nfs/dbraw/zinc/18/66/25/722186625.db2.gz XMHSUPUENSQZEE-DLBZAZTESA-N 0 0 461.003 4.508 20 0 JJADRN COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164988540 722186818 /nfs/dbraw/zinc/18/68/18/722186818.db2.gz MNIQIVROFFNDKK-PZJWPPBQSA-N 0 0 459.015 4.532 20 0 JJADRN COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164992394 722186820 /nfs/dbraw/zinc/18/68/20/722186820.db2.gz RVDGIOCMKMANOC-UXHICEINSA-N 0 0 477.005 4.671 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164988775 722187544 /nfs/dbraw/zinc/18/75/44/722187544.db2.gz GHKKWHQDLRDJDS-MRXNPFEDSA-N 0 0 487.378 4.583 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164993011 722187617 /nfs/dbraw/zinc/18/76/17/722187617.db2.gz XIKAAIADTRNVPC-IBGZPJMESA-N 0 0 451.945 4.535 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001164991847 722189019 /nfs/dbraw/zinc/18/90/19/722189019.db2.gz RYPPACDGLFAARX-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001164990546 722189022 /nfs/dbraw/zinc/18/90/22/722189022.db2.gz KIKJBIBCTNRLQX-UHFFFAOYSA-N 0 0 458.896 4.775 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)c2cc(C)ccc21 ZINC001164988248 722189674 /nfs/dbraw/zinc/18/96/74/722189674.db2.gz FHDURTYJHOEFJN-UHFFFAOYSA-N 0 0 455.336 4.627 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(CNC(=O)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001164989858 722190518 /nfs/dbraw/zinc/19/05/18/722190518.db2.gz QHVFNBDQSLRKLC-UHFFFAOYSA-N 0 0 488.970 4.529 20 0 JJADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)C2 ZINC001164989827 722190964 /nfs/dbraw/zinc/19/09/64/722190964.db2.gz PUVSJSYZKLMFOG-UHFFFAOYSA-N 0 0 480.991 4.602 20 0 JJADRN Fc1cccc(CN2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995226 722194898 /nfs/dbraw/zinc/19/48/98/722194898.db2.gz SUQOPJIWBPLCSK-JOCHJYFZSA-N 0 0 465.951 4.659 20 0 JJADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164995234 722195093 /nfs/dbraw/zinc/19/50/93/722195093.db2.gz SUQOPJIWBPLCSK-QFIPXVFZSA-N 0 0 465.951 4.659 20 0 JJADRN O=C1C[C@@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000886 722220336 /nfs/dbraw/zinc/22/03/36/722220336.db2.gz ZZOVVKGLJHBUNO-XMMPIXPASA-N 0 0 498.917 4.704 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(c3nc(Cl)ccc3CN3CCCC3)CC2)c2ccccc21 ZINC001164999459 722220693 /nfs/dbraw/zinc/22/06/93/722220693.db2.gz RLXZHQFGHJUNGI-UHFFFAOYSA-N 0 0 477.052 4.792 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)nc1Cl ZINC001164998009 722221387 /nfs/dbraw/zinc/22/13/87/722221387.db2.gz GIDITVSDRWLIOH-FQEVSTJZSA-N 0 0 461.940 4.869 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)n1 ZINC001165000100 722226339 /nfs/dbraw/zinc/22/63/39/722226339.db2.gz QHHUOCZHYASILY-LJQANCHMSA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001165000916 722226503 /nfs/dbraw/zinc/22/65/03/722226503.db2.gz WCFQUAPYQDNQHN-MRXNPFEDSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)n1 ZINC001164998420 722226752 /nfs/dbraw/zinc/22/67/52/722226752.db2.gz BTCURIXULQGCMZ-QGZVFWFLSA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)n1 ZINC001165001345 722227481 /nfs/dbraw/zinc/22/74/81/722227481.db2.gz ZNLQBTTZXHRJKK-LJQANCHMSA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)n1 ZINC001165000167 722227551 /nfs/dbraw/zinc/22/75/51/722227551.db2.gz RKDDUJRTMCHQRG-LJQANCHMSA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)n1 ZINC001165000513 722227850 /nfs/dbraw/zinc/22/78/50/722227850.db2.gz SWLTZVREBKVPJC-QGZVFWFLSA-N 0 0 463.916 4.754 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)n1 ZINC001165000511 722227934 /nfs/dbraw/zinc/22/79/34/722227934.db2.gz SWLTZVREBKVPJC-KRWDZBQOSA-N 0 0 463.916 4.754 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001165000643 722247883 /nfs/dbraw/zinc/24/78/83/722247883.db2.gz ILCCOSOHYNHPTK-UHFFFAOYSA-N 0 0 455.852 4.631 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CCO2 ZINC001165002080 722250283 /nfs/dbraw/zinc/25/02/83/722250283.db2.gz VSSGQIHPSJZFJY-HSZRJFAPSA-N 0 0 479.955 4.653 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165004862 722271957 /nfs/dbraw/zinc/27/19/57/722271957.db2.gz DDRXYDYTWXIRBS-RTBURBONSA-N 0 0 460.912 4.947 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)cs1 ZINC001165006366 722272438 /nfs/dbraw/zinc/27/24/38/722272438.db2.gz NVLXPPGXEWCJOH-KRWDZBQOSA-N 0 0 480.968 4.938 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008541 722273686 /nfs/dbraw/zinc/27/36/86/722273686.db2.gz KSNPVUGQZAJIFQ-OFSQETHSSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010946 722273690 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KIOJTHIVADGCHJ-UGKGYDQZSA-N 0 0 483.657 4.570 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359713625 1064262320 /nfs/dbraw/zinc/26/23/20/1064262320.db2.gz SQRXOKAPYKAOPH-WIYYLYMNSA-N 0 0 492.039 4.752 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1c(F)cccc1Cl ZINC001359714042 1064262380 /nfs/dbraw/zinc/26/23/80/1064262380.db2.gz ILLLABVDHUPLEP-UHFFFAOYSA-N 0 0 462.013 4.861 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359714372 1064262423 /nfs/dbraw/zinc/26/24/23/1064262423.db2.gz UJMLCVFNHCSPRQ-ISKFKSNPSA-N 0 0 473.706 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC001545853444 1064263292 /nfs/dbraw/zinc/26/32/92/1064263292.db2.gz MIHYIIMGEUJPFF-NHTMILBNSA-N 0 0 452.595 4.797 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1cc2ccccc2[nH]1 ZINC001359715183 1064263336 /nfs/dbraw/zinc/26/33/36/1064263336.db2.gz SJNZNTGGSCLSQE-SFHVURJKSA-N 0 0 452.603 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CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001545856713 1064264836 /nfs/dbraw/zinc/26/48/36/1064264836.db2.gz GZGIKFZURRQGKF-NQIIRXRSSA-N 0 0 471.621 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCc1cc(C)ccc1OC ZINC001545856909 1064265005 /nfs/dbraw/zinc/26/50/05/1064265005.db2.gz KSYOZSMXTNHKRX-QFIPXVFZSA-N 0 0 467.658 4.915 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cccs3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359717510 1064265638 /nfs/dbraw/zinc/26/56/38/1064265638.db2.gz XBZSLLKXTMIGNC-UHFFFAOYSA-N 0 0 465.545 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@H](C)c1nc(C)cs1 ZINC001545857452 1064266504 /nfs/dbraw/zinc/26/65/04/1064266504.db2.gz WRBKDDYZYOXLOH-INIZCTEOSA-N 0 0 484.670 4.947 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1CCc1ccc(N(C)C)cc1 ZINC001545859163 1064267574 /nfs/dbraw/zinc/26/75/74/1064267574.db2.gz GIWFIFRFUYROQG-QPPBQGQZSA-N 0 0 466.674 4.664 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359721845 1064268571 /nfs/dbraw/zinc/26/85/71/1064268571.db2.gz GMUIAXQXMQNPJV-KRWDZBQOSA-N 0 0 469.508 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC(CC)(CC)SC ZINC001545860006 1064268581 /nfs/dbraw/zinc/26/85/81/1064268581.db2.gz YJXOOIXHZGTEHZ-UHFFFAOYSA-N 0 0 461.598 4.817 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359722683 1064268721 /nfs/dbraw/zinc/26/87/21/1064268721.db2.gz AHKNCBRFNHEKJQ-SFHVURJKSA-N 0 0 499.990 4.793 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359722694 1064268729 /nfs/dbraw/zinc/26/87/29/1064268729.db2.gz AQQKJJSGZUKIDB-APWZRJJASA-N 0 0 464.010 4.546 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C[C@@H]1CSCCS1 ZINC001359722824 1064269070 /nfs/dbraw/zinc/26/90/70/1064269070.db2.gz DALKCEOHJKLUBN-CRAIPNDOSA-N 0 0 457.040 4.621 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1C[C@H](C)c1nccs1 ZINC001545861235 1064269647 /nfs/dbraw/zinc/26/96/47/1064269647.db2.gz VNWDZORKNRKVOB-SFHVURJKSA-N 0 0 494.665 4.556 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1CC1(c2ccc(OC)cc2)CCC1 ZINC001545862757 1064270676 /nfs/dbraw/zinc/27/06/76/1064270676.db2.gz RUJBXVACQNGQKZ-HXUWFJFHSA-N 0 0 467.658 4.809 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@@H](C)c1nccs1 ZINC001359723772 1064271253 /nfs/dbraw/zinc/27/12/53/1064271253.db2.gz YOQITMGMGRVTQR-QAPCUYQASA-N 0 0 463.554 4.841 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ncnn1C(C)(C)C ZINC001359723688 1064271292 /nfs/dbraw/zinc/27/12/92/1064271292.db2.gz XCXWGPUCHOHXSS-GOSISDBHSA-N 0 0 478.428 4.681 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001545864314 1064271710 /nfs/dbraw/zinc/27/17/10/1064271710.db2.gz OIVRTKJLWPJKQQ-KRWDZBQOSA-N 0 0 481.563 4.751 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001545864158 1064271788 /nfs/dbraw/zinc/27/17/88/1064271788.db2.gz LBXXPYFJQSJCBF-UHFFFAOYSA-N 0 0 494.537 4.838 20 0 JJADRN CC(C)c1nnc(N2CCS[C@H](C(C)C)C2)n1Cc1ccc(I)cc1 ZINC001359726887 1064273505 /nfs/dbraw/zinc/27/35/05/1064273505.db2.gz YRRSQWGNIMXRTM-KRWDZBQOSA-N 0 0 470.424 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1CC[C@@H]1CCOc2ccccc21 ZINC001545865786 1064274231 /nfs/dbraw/zinc/27/42/31/1064274231.db2.gz MLAOZJAKFPKZNG-NIYFSFCBSA-N 0 0 453.631 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CCCc1nc2c(s1)CCCC2 ZINC001545865712 1064274352 /nfs/dbraw/zinc/27/43/52/1064274352.db2.gz KBRFYQMCLSJXSU-UHFFFAOYSA-N 0 0 472.703 4.791 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359727850 1064274691 /nfs/dbraw/zinc/27/46/91/1064274691.db2.gz IYGSWTBDDDSGJK-LEWJYISDSA-N 0 0 498.672 4.762 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1Cc1ccccc1-n1nc(C)cc1C ZINC001545866032 1064275699 /nfs/dbraw/zinc/27/56/99/1064275699.db2.gz SPTZQDHNTMLAIO-MHZLTWQESA-N 0 0 477.657 4.674 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001545866249 1064276080 /nfs/dbraw/zinc/27/60/80/1064276080.db2.gz ZJHXYFIMSFBWRK-NDEPHWFRSA-N 0 0 494.684 5.000 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(COC)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545866152 1064276268 /nfs/dbraw/zinc/27/62/68/1064276268.db2.gz WTFDSPRHUJEKNN-UHFFFAOYSA-N 0 0 487.611 4.818 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001545866673 1064276688 /nfs/dbraw/zinc/27/66/88/1064276688.db2.gz KHQNSUWGLVOZBU-SUNYJGFJSA-N 0 0 457.384 4.719 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001359728737 1064277108 /nfs/dbraw/zinc/27/71/08/1064277108.db2.gz KARLGZYUNKZBBE-XPNTWCBSSA-N 0 0 488.076 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(OC2CCCC2)cc1 ZINC001545867870 1064278049 /nfs/dbraw/zinc/27/80/49/1064278049.db2.gz IODRKFGLFDOFLE-RTBURBONSA-N 0 0 453.631 4.801 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1coc(-c2ccc(C)cc2)n1 ZINC001545868026 1064278054 /nfs/dbraw/zinc/27/80/54/1064278054.db2.gz KNARMEOCUWFCKY-RTBURBONSA-N 0 0 464.614 4.691 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C(C)(C)C)cs2)C1 ZINC001359729150 1064278427 /nfs/dbraw/zinc/27/84/27/1064278427.db2.gz TVBAHSLOTQSACF-SFHVURJKSA-N 0 0 481.670 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001545868239 1064278635 /nfs/dbraw/zinc/27/86/35/1064278635.db2.gz NMWPLNAEPWRNNZ-OXQOHEQNSA-N 0 0 481.563 4.811 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(C)(C)C)CC2)n1 ZINC001359729341 1064279080 /nfs/dbraw/zinc/27/90/80/1064279080.db2.gz XMSLWXSZUUAJRD-PMACEKPBSA-N 0 0 473.666 4.736 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC001359729308 1064279211 /nfs/dbraw/zinc/27/92/11/1064279211.db2.gz XAFBADIXSIYVAS-KRWDZBQOSA-N 0 0 491.562 4.858 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359729739 1064280287 /nfs/dbraw/zinc/28/02/87/1064280287.db2.gz GNRFKNPOGDDHJI-OAHLLOKOSA-N 0 0 450.534 4.931 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C1 ZINC001359729781 1064280515 /nfs/dbraw/zinc/28/05/15/1064280515.db2.gz HBCCCRFTEDAXEF-OAHLLOKOSA-N 0 0 463.449 4.618 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001359729985 1064281004 /nfs/dbraw/zinc/28/10/04/1064281004.db2.gz KRBFTKHGDHOQMQ-QGZVFWFLSA-N 0 0 462.932 4.911 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCc1cccc(C)n1 ZINC001545869991 1064281367 /nfs/dbraw/zinc/28/13/67/1064281367.db2.gz DDBAXSARTJCPID-UHFFFAOYSA-N 0 0 490.652 4.535 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359730426 1064281645 /nfs/dbraw/zinc/28/16/45/1064281645.db2.gz URCMJYCLDYCYCM-FXAWDEMLSA-N 0 0 485.982 4.734 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1CCc1csc(C)n1 ZINC001545870000 1064282078 /nfs/dbraw/zinc/28/20/78/1064282078.db2.gz DKBPISOTHZCPEY-HTAPYJJXSA-N 0 0 466.655 4.587 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001359731076 1064282815 /nfs/dbraw/zinc/28/28/15/1064282815.db2.gz HESSNDIAJMIXFX-ZIHSNCGMSA-N 0 0 489.705 4.816 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359730953 1064282966 /nfs/dbraw/zinc/28/29/66/1064282966.db2.gz FGHXGDNGDSWDOP-OAQYLSRUSA-N 0 0 455.622 4.672 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C1 ZINC001359731034 1064283096 /nfs/dbraw/zinc/28/30/96/1064283096.db2.gz GLCLTCNUFXYFOU-NRFANRHFSA-N 0 0 476.612 4.853 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1CCCc1nccs1 ZINC001545870251 1064283320 /nfs/dbraw/zinc/28/33/20/1064283320.db2.gz JUBJUMXXZHGNSD-GHTZIAJQSA-N 0 0 466.655 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CCCc1nccs1 ZINC001545870252 1064283484 /nfs/dbraw/zinc/28/34/84/1064283484.db2.gz JUBJUMXXZHGNSD-NQIIRXRSSA-N 0 0 466.655 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cccc(F)c3)C2)n1C[C@@H](C)c1c(C)noc1C ZINC001545870421 1064283931 /nfs/dbraw/zinc/28/39/31/1064283931.db2.gz NISPGELENSXKBR-OXQOHEQNSA-N 0 0 482.604 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1C[C@H](OC)C(C)(C)C ZINC001545870517 1064284633 /nfs/dbraw/zinc/28/46/33/1064284633.db2.gz PLVNLACCSFRFOE-NYVOZVTQSA-N 0 0 455.647 4.640 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cccc(OC)c3)CC2)n1CCC=C(C)C ZINC001545870458 1064284647 /nfs/dbraw/zinc/28/46/47/1064284647.db2.gz OHMBMFMGTVLYAQ-UHFFFAOYSA-N 0 0 453.631 4.945 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)C1 ZINC001359731899 1064284862 /nfs/dbraw/zinc/28/48/62/1064284862.db2.gz UVDTXNMMOKNBTG-NHCUHLMSSA-N 0 0 475.678 4.570 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359731749 1064285038 /nfs/dbraw/zinc/28/50/38/1064285038.db2.gz RQNCOXUXMVMIMU-UYAOXDASSA-N 0 0 459.610 4.794 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)C1 ZINC001359732045 1064285552 /nfs/dbraw/zinc/28/55/52/1064285552.db2.gz WTGCRFBBZBVXNH-LJQANCHMSA-N 0 0 473.543 4.968 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccccc3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545870706 1064285934 /nfs/dbraw/zinc/28/59/34/1064285934.db2.gz UDIYQRKFKAZPLG-YIXXDRMTSA-N 0 0 467.658 4.928 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C1 ZINC001359731987 1064285895 /nfs/dbraw/zinc/28/58/95/1064285895.db2.gz VXYBAJTYZGPMPT-RHSMWYFYSA-N 0 0 471.346 4.651 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545872683 1064288477 /nfs/dbraw/zinc/28/84/77/1064288477.db2.gz VUWKAWQIZDUGKR-OFVILXPXSA-N 0 0 473.687 4.990 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545872684 1064288626 /nfs/dbraw/zinc/28/86/26/1064288626.db2.gz VUWKAWQIZDUGKR-PXDATVDWSA-N 0 0 473.687 4.990 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359733100 1064288846 /nfs/dbraw/zinc/28/88/46/1064288846.db2.gz RRBGASCEVGZJMH-RTWAWAEBSA-N 0 0 471.612 4.536 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CCCc1ccccc1 ZINC001545872819 1064288922 /nfs/dbraw/zinc/28/89/22/1064288922.db2.gz ZMHJYLQYKXDXJG-OAQYLSRUSA-N 0 0 459.585 4.701 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359733072 1064288954 /nfs/dbraw/zinc/28/89/54/1064288954.db2.gz QZYMSXQEKCLJHB-FCHUYYIVSA-N 0 0 463.592 4.820 20 0 JJADRN 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DGZLLOPKAPEMMY-GOSISDBHSA-N 0 0 479.456 4.931 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@@H]1CCCCS1 ZINC001545877389 1064293510 /nfs/dbraw/zinc/29/35/10/1064293510.db2.gz AXNFTUWUMRLUNU-QHCPKHFHSA-N 0 0 485.698 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001545877559 1064293535 /nfs/dbraw/zinc/29/35/35/1064293535.db2.gz FXGRMBCAXDNJLG-HNAYVOBHSA-N 0 0 472.461 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001545877560 1064294014 /nfs/dbraw/zinc/29/40/14/1064294014.db2.gz FXGRMBCAXDNJLG-KXBFYZLASA-N 0 0 472.461 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCc1ccc(C)cc1 ZINC001545878040 1064294051 /nfs/dbraw/zinc/29/40/51/1064294051.db2.gz UUCSNAGLBLGRTN-UHFFFAOYSA-N 0 0 450.414 4.647 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC1(O)CCOCC1 ZINC001359734629 1064294638 /nfs/dbraw/zinc/29/46/38/1064294638.db2.gz YDROSXWXNPOBGD-SFHVURJKSA-N 0 0 483.838 4.527 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1CC1(CC)CC1 ZINC001545879492 1064294764 /nfs/dbraw/zinc/29/47/64/1064294764.db2.gz YDANKYWPPNJGDQ-UHFFFAOYSA-N 0 0 490.693 4.613 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359735683 1064295150 /nfs/dbraw/zinc/29/51/50/1064295150.db2.gz PTDZWJMNBYHLGI-KNQAVFIVSA-N 0 0 479.629 4.669 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccccc1 ZINC001359735486 1064295199 /nfs/dbraw/zinc/29/51/99/1064295199.db2.gz MNBTZJKHXVYNIM-ZKOMGTKCSA-N 0 0 497.684 4.925 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2c[nH]c3ccccc32)n1CCN(C)C(=O)OC(C)(C)C ZINC001359736158 1064295992 /nfs/dbraw/zinc/29/59/92/1064295992.db2.gz YGJCAOQIQGUJIZ-NRFANRHFSA-N 0 0 452.603 4.918 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCN(C)CC(F)(F)F ZINC001359736140 1064296049 /nfs/dbraw/zinc/29/60/49/1064296049.db2.gz XOZYXQGFNHQZSA-IBGZPJMESA-N 0 0 462.520 4.719 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1Cc1cccc(Br)n1 ZINC001359736275 1064296489 /nfs/dbraw/zinc/29/64/89/1064296489.db2.gz ANWVXMIMGAGENM-HXUWFJFHSA-N 0 0 470.415 4.730 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359736357 1064296599 /nfs/dbraw/zinc/29/65/99/1064296599.db2.gz BWHRKJJDFHRKFE-NQIIRXRSSA-N 0 0 485.629 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545881625 1064297017 /nfs/dbraw/zinc/29/70/17/1064297017.db2.gz BCYYDOSZISVGEV-RIQBOWGZSA-N 0 0 467.658 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(n3ncc4ccccc43)CC2)n1CCC=C(C)C ZINC001545881132 1064297034 /nfs/dbraw/zinc/29/70/34/1064297034.db2.gz YVSNBQKSBFORIV-UHFFFAOYSA-N 0 0 463.630 4.744 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)c1cccs1 ZINC001359737159 1064297667 /nfs/dbraw/zinc/29/76/67/1064297667.db2.gz RSTCPCIXVHBMEH-LJQANCHMSA-N 0 0 458.031 4.639 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(CC2CC2)n1Cc1ccc(I)cc1 ZINC001359737252 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CALXFFMZOCBRGY-UHFFFAOYSA-N 0 0 490.048 4.686 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)C1 ZINC001359738429 1064302308 /nfs/dbraw/zinc/30/23/08/1064302308.db2.gz UQIPROFRDIJDSS-QFIPXVFZSA-N 0 0 476.625 4.771 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001545885348 1064302409 /nfs/dbraw/zinc/30/24/09/1064302409.db2.gz UOJLCRMVPGVXJL-FQEVSTJZSA-N 0 0 490.693 4.516 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)CC(F)(F)F)C1 ZINC001359738694 1064302446 /nfs/dbraw/zinc/30/24/46/1064302446.db2.gz BDXWELFDYKMLTQ-ZDUSSCGKSA-N 0 0 480.398 4.746 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001359738769 1064303197 /nfs/dbraw/zinc/30/31/97/1064303197.db2.gz CLVIODMOYDUESB-HXUWFJFHSA-N 0 0 458.672 4.550 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001359738868 1064303481 /nfs/dbraw/zinc/30/34/81/1064303481.db2.gz FUPNQNUHQSZDER-UHFFFAOYSA-N 0 0 490.048 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCOC1CCCCCC1 ZINC001545886709 1064303574 /nfs/dbraw/zinc/30/35/74/1064303574.db2.gz JDVHQTYSKQVORJ-UHFFFAOYSA-N 0 0 497.684 4.816 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCN2CCOC[C@H]2C)C1 ZINC001359738803 1064303745 /nfs/dbraw/zinc/30/37/45/1064303745.db2.gz DDJZAFYGKUDWPR-SJORKVTESA-N 0 0 496.881 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545886660 1064303824 /nfs/dbraw/zinc/30/38/24/1064303824.db2.gz IMFQRMYYZVMLGP-CVDCTZTESA-N 0 0 488.076 4.864 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c2ccccc2)cc1 ZINC001434866636 1064304491 /nfs/dbraw/zinc/30/44/91/1064304491.db2.gz DSSFQPVZOKGQHV-OAQYLSRUSA-N 0 0 459.937 4.933 20 0 JJADRN CC(C)(C(=O)NCc1cccc(Cn2ccnc2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC001434866088 1064304602 /nfs/dbraw/zinc/30/46/02/1064304602.db2.gz DIWCTHKEOMDHNF-UHFFFAOYSA-N 0 0 452.530 4.927 20 0 JJADRN 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455.721 4.928 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001359748303 1064333396 /nfs/dbraw/zinc/33/33/96/1064333396.db2.gz SLTKKQDNMUXHKV-WMZHIEFXSA-N 0 0 450.986 4.540 20 0 JJADRN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001434906792 1064333809 /nfs/dbraw/zinc/33/38/09/1064333809.db2.gz VUZNOJOTXVQQKJ-MRXNPFEDSA-N 0 0 452.383 4.695 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)N(C)C)c2)CCS1 ZINC001359748324 1064334063 /nfs/dbraw/zinc/33/40/63/1064334063.db2.gz STFYRUMKMVOTJK-OAQYLSRUSA-N 0 0 499.084 4.516 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC001434907725 1064334715 /nfs/dbraw/zinc/33/47/15/1064334715.db2.gz BKTRZEQXNYMYBY-UHFFFAOYSA-N 0 0 454.246 4.974 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)NCCc1cc(Br)ccc1F ZINC001434907769 1064334746 /nfs/dbraw/zinc/33/47/46/1064334746.db2.gz DTJONRLEXWYCDY-UHFFFAOYSA-N 0 0 455.327 4.594 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC=CO2)CCO1 ZINC001359748458 1064334766 /nfs/dbraw/zinc/33/47/66/1064334766.db2.gz VZVJZFDWAGOHDP-VQIMIIECSA-N 0 0 481.822 4.915 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001434909201 1064335132 /nfs/dbraw/zinc/33/51/32/1064335132.db2.gz FTQQKKIWDCCFHR-MHZLTWQESA-N 0 0 452.595 4.668 20 0 JJADRN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001434908307 1064335373 /nfs/dbraw/zinc/33/53/73/1064335373.db2.gz CANFKMJPBWUOSA-UHFFFAOYSA-N 0 0 450.638 4.823 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccc(F)cc1 ZINC001434909232 1064335414 /nfs/dbraw/zinc/33/54/14/1064335414.db2.gz IIRMDDRNUDSGHP-KRWDZBQOSA-N 0 0 450.388 4.924 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001434909193 1064335452 /nfs/dbraw/zinc/33/54/52/1064335452.db2.gz FTQQKKIWDCCFHR-HHHXNRCGSA-N 0 0 452.595 4.668 20 0 JJADRN 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ZINC001434911394 1064337537 /nfs/dbraw/zinc/33/75/37/1064337537.db2.gz GKMAGNVDUKHECD-UHFFFAOYSA-N 0 0 450.623 4.619 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Oc3ccc(OCC4CC4)cc3)cc2)cc1 ZINC001434911230 1064337609 /nfs/dbraw/zinc/33/76/09/1064337609.db2.gz CZOVGMUMOUNWKL-UHFFFAOYSA-N 0 0 451.544 4.828 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCO2)CCS1 ZINC001359749815 1064338795 /nfs/dbraw/zinc/33/87/95/1064338795.db2.gz ZQKQFTPEDKPNLO-QFBILLFUSA-N 0 0 465.461 4.855 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC(C)(F)F)CCS1 ZINC001359751112 1064339352 /nfs/dbraw/zinc/33/93/52/1064339352.db2.gz YMUXQPMAXMNZKR-LJQANCHMSA-N 0 0 490.624 4.859 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2CC2CCN(CC(F)(F)F)CC2)CCS1 ZINC001359750941 1064339546 /nfs/dbraw/zinc/33/95/46/1064339546.db2.gz VTLKNTXDEGGVAE-IBGZPJMESA-N 0 0 459.626 4.788 20 0 JJADRN COC(=O)c1ccnc(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2C(=O)OC)c1 ZINC001434913578 1064339807 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/nfs/dbraw/zinc/36/65/12/1064366512.db2.gz MBAAYPLEUMLPLL-JSXRDJHFSA-N 0 0 462.679 4.652 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c1C(F)F ZINC001434945531 1064366606 /nfs/dbraw/zinc/36/66/06/1064366606.db2.gz TWBDDBMYZJIYPD-UHFFFAOYSA-N 0 0 456.474 4.566 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359760030 1064367099 /nfs/dbraw/zinc/36/70/99/1064367099.db2.gz NZCBSKOHBXULSI-NQIIRXRSSA-N 0 0 490.471 4.785 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 ZINC001359760031 1064367336 /nfs/dbraw/zinc/36/73/36/1064367336.db2.gz NZCBSKOHBXULSI-RXVVDRJESA-N 0 0 490.471 4.785 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)[C@H]1c1cccnc1 ZINC001434946385 1064367359 /nfs/dbraw/zinc/36/73/59/1064367359.db2.gz YFIDCQPOZSTFJE-GHTZIAJQSA-N 0 0 452.605 4.854 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)C1 ZINC001359760160 1064367829 /nfs/dbraw/zinc/36/78/29/1064367829.db2.gz QCQLYTPDWRZBKC-WMZOPIPTSA-N 0 0 456.484 4.843 20 0 JJADRN COc1ccc(-c2nc(NC(=O)C=C(c3ccc(Cl)cc3)C(F)(F)F)n[nH]2)c(OC)c1 ZINC001434947743 1064368042 /nfs/dbraw/zinc/36/80/42/1064368042.db2.gz JDXPGTHFYNZNGK-GDNBJRDFSA-N 0 0 452.820 4.727 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359760437 1064368585 /nfs/dbraw/zinc/36/85/85/1064368585.db2.gz UJLCZYAXWPPRGJ-CEWLAPEOSA-N 0 0 477.447 4.774 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1cnccn1 ZINC001359760614 1064369457 /nfs/dbraw/zinc/36/94/57/1064369457.db2.gz WPSMUDBLFHRMRL-UGKGYDQZSA-N 0 0 455.006 4.519 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3sc(Cl)nc3C(F)(F)F)ccc21 ZINC001434948801 1064369538 /nfs/dbraw/zinc/36/95/38/1064369538.db2.gz UREMFULNIUNTOV-UHFFFAOYSA-N 0 0 458.893 4.891 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(Br)cc1 ZINC001434948540 1064369627 /nfs/dbraw/zinc/36/96/27/1064369627.db2.gz RSXSSFFYJOAISA-LJQANCHMSA-N 0 0 456.361 4.920 20 0 JJADRN COC(=O)c1cc(C(=O)Nc2cc(CC(C)(C)C)nn2-c2ccccc2)n(-c2ccccc2)n1 ZINC001434948998 1064369807 /nfs/dbraw/zinc/36/98/07/1064369807.db2.gz CFBGOCXGFUPPNE-UHFFFAOYSA-N 0 0 457.534 4.686 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001359760894 1064370042 /nfs/dbraw/zinc/37/00/42/1064370042.db2.gz ABIAKBFCFQJLOS-UZLBHIALSA-N 0 0 476.419 4.727 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359760861 1064370099 /nfs/dbraw/zinc/37/00/99/1064370099.db2.gz ZUGDPYSHPBIZIG-MBSDFSHPSA-N 0 0 457.981 4.754 20 0 JJADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001434950558 1064371153 /nfs/dbraw/zinc/37/11/53/1064371153.db2.gz WZBHAMNTTSEJBY-SNVBAGLBSA-N 0 0 455.376 4.750 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001359761161 1064371717 /nfs/dbraw/zinc/37/17/17/1064371717.db2.gz DDAGIIVLLZWHJW-PTLVVNQVSA-N 0 0 451.615 4.888 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cnn(C(F)F)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001434950914 1064372007 /nfs/dbraw/zinc/37/20/07/1064372007.db2.gz RJCYFQPHRRYOPM-IFMALSPDSA-N 0 0 454.477 4.718 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(C)c1 ZINC001434951014 1064372651 /nfs/dbraw/zinc/37/26/51/1064372651.db2.gz WENQHZVJIXFNOU-UHFFFAOYSA-N 0 0 457.530 4.948 20 0 JJADRN C[C@H](COc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001434951477 1064372875 /nfs/dbraw/zinc/37/28/75/1064372875.db2.gz DEHOLQGNJCUXQG-BEFAXECRSA-N 0 0 452.473 4.855 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)NC[C@@H](C)c2ccc(F)cc2)c2ccccc2)cc1 ZINC001434954550 1064373445 /nfs/dbraw/zinc/37/34/45/1064373445.db2.gz MFRDBEKPQBDIAJ-HXUWFJFHSA-N 0 0 454.567 4.639 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C2CC2)cc1 ZINC001434952462 1064373677 /nfs/dbraw/zinc/37/36/77/1064373677.db2.gz HAFKUPIKUAUXAP-UHFFFAOYSA-N 0 0 457.361 4.652 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359761927 1064373617 /nfs/dbraw/zinc/37/36/17/1064373617.db2.gz NRRBUJJJBNWKBO-URVUXULASA-N 0 0 478.584 4.861 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 ZINC001359761883 1064373820 /nfs/dbraw/zinc/37/38/20/1064373820.db2.gz NDSOUPCPPOOKSZ-LNLFQRSKSA-N 0 0 483.476 4.694 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)COc2ccccc2)CC1 ZINC001434951911 1064373731 /nfs/dbraw/zinc/37/37/31/1064373731.db2.gz FNELKBZEQBLVEK-IGGXFAESSA-N 0 0 450.623 4.760 20 0 JJADRN C[C@@H](CC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccc(F)c(Br)c1 ZINC001434957328 1064374337 /nfs/dbraw/zinc/37/43/37/1064374337.db2.gz VIMKTLBLGPZACV-HNNXBMFYSA-N 0 0 453.396 4.769 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001359762314 1064374984 /nfs/dbraw/zinc/37/49/84/1064374984.db2.gz SSUCYNXTVZJXJG-UGKGYDQZSA-N 0 0 477.694 4.811 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)Cc3ccccc3C)cc2)c1C(F)(F)F ZINC001434958735 1064375175 /nfs/dbraw/zinc/37/51/75/1064375175.db2.gz QHRCAWGEWVBRJW-MRXNPFEDSA-N 0 0 459.468 4.737 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC[C@H]3CCCC[C@H]3C)nnc2-c2ccco2)cc1 ZINC001434959366 1064375212 /nfs/dbraw/zinc/37/52/12/1064375212.db2.gz VLUYFGQRHRBVHR-QZTJIDSGSA-N 0 0 454.596 4.961 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br ZINC001359762549 1064375941 /nfs/dbraw/zinc/37/59/41/1064375941.db2.gz WKHOANWTWYGZKY-GHTZIAJQSA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCN(C)c1ccccc1 ZINC001359762713 1064376660 /nfs/dbraw/zinc/37/66/60/1064376660.db2.gz YMJWFEPPCAXFRR-QTJGBDASSA-N 0 0 455.647 4.544 20 0 JJADRN COc1ccc(N(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)C(C)C)cc1F ZINC001434960860 1064376607 /nfs/dbraw/zinc/37/66/07/1064376607.db2.gz FHPDNIFOZZGROG-GOSISDBHSA-N 0 0 459.587 4.528 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)c1cc(F)c(Br)cc1F ZINC001434961243 1064376799 /nfs/dbraw/zinc/37/67/99/1064376799.db2.gz HIGKWCPBKQPSJU-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)s1 ZINC001434961997 1064377292 /nfs/dbraw/zinc/37/72/92/1064377292.db2.gz IVHWVLURXKULCE-QRWLVFNGSA-N 0 0 453.539 4.980 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC001434962711 1064378185 /nfs/dbraw/zinc/37/81/85/1064378185.db2.gz LFGAORPXYBQSLF-UHFFFAOYSA-N 0 0 454.577 4.614 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001359763234 1064378735 /nfs/dbraw/zinc/37/87/35/1064378735.db2.gz HRNDJPRIQUEYJX-UARRHKHWSA-N 0 0 476.706 4.637 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359763221 1064378758 /nfs/dbraw/zinc/37/87/58/1064378758.db2.gz HHGIWDGYHNZVKF-ZDXQCDESSA-N 0 0 473.706 4.593 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1 ZINC001434963588 1064378874 /nfs/dbraw/zinc/37/88/74/1064378874.db2.gz FYVSUOGXQPJDTD-UHFFFAOYSA-N 0 0 457.880 4.751 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001359763233 1064378883 /nfs/dbraw/zinc/37/88/83/1064378883.db2.gz HRNDJPRIQUEYJX-OLKYXYMISA-N 0 0 476.706 4.637 20 0 JJADRN Cc1cc(Br)c(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)s1 ZINC001434963820 1064378983 /nfs/dbraw/zinc/37/89/83/1064378983.db2.gz IMXBMMHVDJUTPI-UHFFFAOYSA-N 0 0 453.402 4.816 20 0 JJADRN COCCN(CC(F)F)C(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001434964101 1064379862 /nfs/dbraw/zinc/37/98/62/1064379862.db2.gz AUTSUUJVQQQAHP-MRXNPFEDSA-N 0 0 455.329 4.642 20 0 JJADRN CC(C)(C)OCc1cccc(CNC(=O)c2cc(Br)ncc2Br)c1 ZINC001434965416 1064380484 /nfs/dbraw/zinc/38/04/84/1064380484.db2.gz CJYMDEBGFDWADR-UHFFFAOYSA-N 0 0 456.178 4.852 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C1CCCCC1 ZINC001434965563 1064380499 /nfs/dbraw/zinc/38/04/99/1064380499.db2.gz CMHRFSBEULTIJN-QFIPXVFZSA-N 0 0 458.624 4.605 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1=O ZINC001434965939 1064381403 /nfs/dbraw/zinc/38/14/03/1064381403.db2.gz DENOBZKHSLOJSX-QWHCGFSZSA-N 0 0 455.769 4.928 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC001434966533 1064382020 /nfs/dbraw/zinc/38/20/20/1064382020.db2.gz GQAWNLQULKGHNU-UHFFFAOYSA-N 0 0 458.356 4.619 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001359764039 1064382568 /nfs/dbraw/zinc/38/25/68/1064382568.db2.gz UDOOSKCSTGAIAB-CKUXNOBLSA-N 0 0 477.049 4.967 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccsc1Br ZINC001434966732 1064382962 /nfs/dbraw/zinc/38/29/62/1064382962.db2.gz HVTNKCMYDIUCGQ-UHFFFAOYSA-N 0 0 459.203 4.751 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359764269 1064383063 /nfs/dbraw/zinc/38/30/63/1064383063.db2.gz YBWDTPPKTNWNGY-URXFXBBRSA-N 0 0 485.579 4.953 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001359764226 1064383154 /nfs/dbraw/zinc/38/31/54/1064383154.db2.gz XKSIMSVKKJGCSM-SSGKUCQKSA-N 0 0 462.679 4.511 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001359764392 1064383226 /nfs/dbraw/zinc/38/32/26/1064383226.db2.gz AAHWXDCQRFNWPN-AZUAARDMSA-N 0 0 461.557 4.644 20 0 JJADRN CC(=O)N1CC[C@](C)(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)C1 ZINC001434967768 1064383629 /nfs/dbraw/zinc/38/36/29/1064383629.db2.gz MSTOUSVTRBVNTJ-NRFANRHFSA-N 0 0 451.514 4.827 20 0 JJADRN Cc1sc(=O)n(CCC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c1C ZINC001434967939 1064383642 /nfs/dbraw/zinc/38/36/42/1064383642.db2.gz KXBZVBQEWBBLFE-UHFFFAOYSA-N 0 0 451.430 4.741 20 0 JJADRN COCC1(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001434968131 1064383678 /nfs/dbraw/zinc/38/36/78/1064383678.db2.gz LWKVOAQBAFVWDR-OAHLLOKOSA-N 0 0 459.414 4.877 20 0 JJADRN COc1ccc(CNC(=O)c2cc(F)c(Br)c(Cl)c2)cc1Br ZINC001434968243 1064383699 /nfs/dbraw/zinc/38/36/99/1064383699.db2.gz OAKNRTCFJVFNGG-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001434968513 1064384138 /nfs/dbraw/zinc/38/41/38/1064384138.db2.gz SNYMPFCDHVIRCU-AVCGJXAMSA-N 0 0 458.961 4.980 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC001434968869 1064384331 /nfs/dbraw/zinc/38/43/31/1064384331.db2.gz VGFZEOGWJUOJJC-UHFFFAOYSA-N 0 0 454.324 4.942 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccsc2)c1 ZINC001359764678 1064384333 /nfs/dbraw/zinc/38/43/33/1064384333.db2.gz HBRYZVQKZHUZKZ-UHFFFAOYSA-N 0 0 474.634 4.995 20 0 JJADRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001434969768 1064385055 /nfs/dbraw/zinc/38/50/55/1064385055.db2.gz BHBXOERZSBSOFU-MJGOQNOKSA-N 0 0 455.396 4.723 20 0 JJADRN CN(C)c1ncc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1Cl ZINC001434969615 1064385086 /nfs/dbraw/zinc/38/50/86/1064385086.db2.gz XNRXCPJHFVGNDK-UHFFFAOYSA-N 0 0 451.777 4.863 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3ccccn3)nnc2N(C)OC2CCCC2)c1 ZINC001359764883 1064385178 /nfs/dbraw/zinc/38/51/78/1064385178.db2.gz LMERICWXMBGPEZ-UHFFFAOYSA-N 0 0 462.598 4.607 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(C)n(C2CCCCC2)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434970823 1064385866 /nfs/dbraw/zinc/38/58/66/1064385866.db2.gz UQHLRMFBMKMJJU-HSZRJFAPSA-N 0 0 451.615 4.834 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@]3(C2)CCCOC3)c1 ZINC001359764958 1064386065 /nfs/dbraw/zinc/38/60/65/1064386065.db2.gz MSGYZBIFWLNGMO-MHZLTWQESA-N 0 0 467.658 4.907 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CCC(F)(F)F)c1 ZINC001359764978 1064386137 /nfs/dbraw/zinc/38/61/37/1064386137.db2.gz NGODWYVWDYQGQY-GOSISDBHSA-N 0 0 453.509 4.551 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2)cc1 ZINC001434971445 1064386593 /nfs/dbraw/zinc/38/65/93/1064386593.db2.gz HDOMISNMYHCTRP-QZTJIDSGSA-N 0 0 455.555 4.648 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cnc(Br)c(Cl)c1 ZINC001434972680 1064387178 /nfs/dbraw/zinc/38/71/78/1064387178.db2.gz FEPAINLJQHXHEG-UHFFFAOYSA-N 0 0 452.711 4.996 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)cc1 ZINC001434972555 1064387362 /nfs/dbraw/zinc/38/73/62/1064387362.db2.gz BIKVQPMHFWJYKC-UHFFFAOYSA-N 0 0 456.995 4.836 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001434972820 1064387371 /nfs/dbraw/zinc/38/73/71/1064387371.db2.gz DMEVRGHBKGZZBN-UHFFFAOYSA-N 0 0 451.539 4.774 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCOCC3(CCC3)C2)c1 ZINC001359765291 1064387457 /nfs/dbraw/zinc/38/74/57/1064387457.db2.gz UHKHCFNPBSDHAD-UHFFFAOYSA-N 0 0 467.658 4.907 20 0 JJADRN CCOC(=O)C1(NC(=O)c2cc3sc(Br)cc3s2)Cc2ccccc2C1 ZINC001434974104 1064388869 /nfs/dbraw/zinc/38/88/69/1064388869.db2.gz FCNSPIHZXZRQHN-UHFFFAOYSA-N 0 0 450.379 4.556 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 ZINC001434974183 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RSYIKIUNMFKBBB-UHFFFAOYSA-N 0 0 450.207 4.528 20 0 JJADRN CC(C)(C)N1C[C@@H](C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)CC1=O ZINC001435007794 1064423765 /nfs/dbraw/zinc/42/37/65/1064423765.db2.gz DRDWUEPZHVOCDF-SFHVURJKSA-N 0 0 452.986 4.908 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1csc(-c2ncc[nH]2)n1 ZINC001435007646 1064423832 /nfs/dbraw/zinc/42/38/32/1064423832.db2.gz AMMURBBHXIJQDO-UHFFFAOYSA-N 0 0 454.939 4.574 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H]2CCSC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359778642 1064423806 /nfs/dbraw/zinc/42/38/06/1064423806.db2.gz OSBXJOQQFQPTDU-MOPGFXCFSA-N 0 0 451.681 4.598 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)Cc2ccccc2C)c1 ZINC001435009385 1064424567 /nfs/dbraw/zinc/42/45/67/1064424567.db2.gz QJWVOHKKIQRMBB-UHFFFAOYSA-N 0 0 450.604 4.961 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@@H]1CC[C@@H](C)C1 ZINC001359779113 1064424681 /nfs/dbraw/zinc/42/46/81/1064424681.db2.gz CPWQGUKEDCAUPC-HZPDHXFCSA-N 0 0 450.530 4.879 20 0 JJADRN 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ZINC001359790847 1064447459 /nfs/dbraw/zinc/44/74/59/1064447459.db2.gz WAUWEYQUKRJDSA-KRWDZBQOSA-N 0 0 450.564 4.754 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001359790326 1064447471 /nfs/dbraw/zinc/44/74/71/1064447471.db2.gz VMTJKCIZRFYOBO-UGKGYDQZSA-N 0 0 498.672 4.591 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CCCc1cnn(C)c1 ZINC001359791357 1064448128 /nfs/dbraw/zinc/44/81/28/1064448128.db2.gz CDHZPRQFOGXSST-KRWDZBQOSA-N 0 0 471.447 4.729 20 0 JJADRN Cn1c(CNC(=O)c2cccc(Sc3cccc(Br)c3)n2)nc2ccccc21 ZINC001435030550 1064448130 /nfs/dbraw/zinc/44/81/30/1064448130.db2.gz FXXONFIVGSQSTR-UHFFFAOYSA-N 0 0 453.365 4.812 20 0 JJADRN Cn1c(CNC(=O)c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 ZINC001435031399 1064448150 /nfs/dbraw/zinc/44/81/50/1064448150.db2.gz LLUDHFFXICAMDB-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c1)c1ccccc1 ZINC001359791048 1064448165 /nfs/dbraw/zinc/44/81/65/1064448165.db2.gz 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CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359793275 1064451078 /nfs/dbraw/zinc/45/10/78/1064451078.db2.gz OSXYVWAGFFUKHI-FOHILQBSSA-N 0 0 484.538 4.871 20 0 JJADRN CCC[C@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(S(=O)(=O)CCOC)c1Cl ZINC001435034267 1064451037 /nfs/dbraw/zinc/45/10/37/1064451037.db2.gz CGZGNYUODOZHKG-MRXNPFEDSA-N 0 0 458.407 4.555 20 0 JJADRN CCC(CC)(CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC001435033847 1064451122 /nfs/dbraw/zinc/45/11/22/1064451122.db2.gz LLDZXIUARZOXML-USXIJHARSA-N 0 0 453.410 4.731 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1 ZINC001435035044 1064451901 /nfs/dbraw/zinc/45/19/01/1064451901.db2.gz ZPFZGRSLNKLLBW-SFHVURJKSA-N 0 0 459.414 4.803 20 0 JJADRN CCc1ccc(Br)cc1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC001435035431 1064452006 /nfs/dbraw/zinc/45/20/06/1064452006.db2.gz MMRBGQFZBFPEAS-UHFFFAOYSA-N 0 0 457.162 4.721 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359793476 1064451961 /nfs/dbraw/zinc/45/19/61/1064451961.db2.gz PFYGZCZGJOJTFW-URVUXULASA-N 0 0 471.646 4.698 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359793524 1064452029 /nfs/dbraw/zinc/45/20/29/1064452029.db2.gz PLVIYMAMBVDFEC-NFQMXDRXSA-N 0 0 499.656 4.646 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1OC ZINC001435035581 1064452340 /nfs/dbraw/zinc/45/23/40/1064452340.db2.gz NTELJAAKKBOKPZ-UHFFFAOYSA-N 0 0 456.340 4.559 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ncccc3OCC3CCCCC3)nn2C)cc1OC ZINC001435036361 1064452546 /nfs/dbraw/zinc/45/25/46/1064452546.db2.gz MXLIJCNYDLPDSL-UHFFFAOYSA-N 0 0 450.539 4.711 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 ZINC001435037165 1064452576 /nfs/dbraw/zinc/45/25/76/1064452576.db2.gz FCIFJTPNENTQKT-QGZVFWFLSA-N 0 0 458.996 4.781 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359794652 1064452655 /nfs/dbraw/zinc/45/26/55/1064452655.db2.gz ZAHSPIXSHLALJS-IFMALSPDSA-N 0 0 471.646 4.700 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359795049 1064453691 /nfs/dbraw/zinc/45/36/91/1064453691.db2.gz BPFMSMSGXNEKNM-UHFFFAOYSA-N 0 0 484.645 4.912 20 0 JJADRN O=C(Nc1ccnn1Cc1ccccc1F)c1cc(Br)cc(Br)c1 ZINC001435038072 1064453738 /nfs/dbraw/zinc/45/37/38/1064453738.db2.gz HOEWGAMFGXYOLI-UHFFFAOYSA-N 0 0 453.109 4.848 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435038053 1064453758 /nfs/dbraw/zinc/45/37/58/1064453758.db2.gz CNPCFWUKHWYYRW-QFIPXVFZSA-N 0 0 459.631 4.601 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359795461 1064453778 /nfs/dbraw/zinc/45/37/78/1064453778.db2.gz IZUISCZTFJWCHE-DLBZAZTESA-N 0 0 451.541 4.557 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359794654 1064453797 /nfs/dbraw/zinc/45/37/97/1064453797.db2.gz ZAHSPIXSHLALJS-RBBKRZOGSA-N 0 0 471.646 4.700 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CSCCS1 ZINC001359795686 1064454316 /nfs/dbraw/zinc/45/43/16/1064454316.db2.gz MJTYZWDMDPEBKW-HXUWFJFHSA-N 0 0 462.660 4.564 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359795980 1064455387 /nfs/dbraw/zinc/45/53/87/1064455387.db2.gz RMNBITZKHAIHDC-HYBUGGRVSA-N 0 0 468.642 4.877 20 0 JJADRN C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435039074 1064455460 /nfs/dbraw/zinc/45/54/60/1064455460.db2.gz GXLSEGHMJRYXLV-CQSZACIVSA-N 0 0 459.315 4.688 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359796676 1064456216 /nfs/dbraw/zinc/45/62/16/1064456216.db2.gz HQFMAJMGHJNAFE-DHLKQENFSA-N 0 0 467.658 4.783 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359796613 1064456236 /nfs/dbraw/zinc/45/62/36/1064456236.db2.gz FYKOMTMKYSSRSY-FQEVSTJZSA-N 0 0 451.606 4.531 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359796321 1064456320 /nfs/dbraw/zinc/45/63/20/1064456320.db2.gz YJNBBBDRRIOAOQ-HXUWFJFHSA-N 0 0 456.656 4.813 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435039868 1064456437 /nfs/dbraw/zinc/45/64/37/1064456437.db2.gz GWVSLONGHXTNLM-QZNHQXDQSA-N 0 0 458.524 4.972 20 0 JJADRN O=C(Nc1ccc(Br)c(I)c1)c1cccc2cnccc21 ZINC001359800486 1064457028 /nfs/dbraw/zinc/45/70/28/1064457028.db2.gz IBIMXDTZBNSINE-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C ZINC001435040030 1064457049 /nfs/dbraw/zinc/45/70/49/1064457049.db2.gz KBAUUKFVQIBAPS-UHFFFAOYSA-N 0 0 459.937 4.898 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@H](C)COCc1ccccc1 ZINC001359796898 1064457064 /nfs/dbraw/zinc/45/70/64/1064457064.db2.gz OCAOUGDMJRJPOX-DEOSSOPVSA-N 0 0 495.712 4.804 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)c1ccccc1 ZINC001435040302 1064457136 /nfs/dbraw/zinc/45/71/36/1064457136.db2.gz INXUXUDXXJBBBQ-HHHXNRCGSA-N 0 0 457.505 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359797164 1064458850 /nfs/dbraw/zinc/45/88/50/1064458850.db2.gz WJXPAWAVUVERSO-WKCHPHFGSA-N 0 0 453.631 4.535 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC1CC(C)(C)C1 ZINC001359797137 1064458947 /nfs/dbraw/zinc/45/89/47/1064458947.db2.gz VSXSXBWZGZOYDW-UHFFFAOYSA-N 0 0 459.038 4.816 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCCOc1ccccc1Br ZINC001435042449 1064459042 /nfs/dbraw/zinc/45/90/42/1064459042.db2.gz FNAVIZDWJHCEMI-MRXNPFEDSA-N 0 0 457.409 4.664 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1F ZINC001359797934 1064460778 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CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359809279 1064483486 /nfs/dbraw/zinc/48/34/86/1064483486.db2.gz LZAAXHDRIOWECO-NRFANRHFSA-N 0 0 483.657 4.781 20 0 JJADRN COc1ccc(CNC(=O)Cc2csc(COc3ccccc3)n2)cc1OC1CCCC1 ZINC001359810950 1064485928 /nfs/dbraw/zinc/48/59/28/1064485928.db2.gz YVZVALKOKMKQJG-UHFFFAOYSA-N 0 0 452.576 4.911 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001435065951 1064486018 /nfs/dbraw/zinc/48/60/18/1064486018.db2.gz HEHHSDINWCPIHG-UHFFFAOYSA-N 0 0 454.331 4.946 20 0 JJADRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001435066102 1064486030 /nfs/dbraw/zinc/48/60/30/1064486030.db2.gz HXUBGHNXXDHNHF-QRQCRPRQSA-N 0 0 457.537 4.975 20 0 JJADRN COc1ccc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1-c1ccccn1 ZINC001435066122 1064486065 /nfs/dbraw/zinc/48/60/65/1064486065.db2.gz HYKPLTGJFJNEMI-WXTAPIANSA-N 0 0 453.583 4.961 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001435066177 1064486735 /nfs/dbraw/zinc/48/67/35/1064486735.db2.gz IEJGKOOTFUPNMI-QFIPXVFZSA-N 0 0 453.674 4.838 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N(CC(F)(F)F)c3ccccc3)CC2=O)ccc1Br ZINC001435066189 1064486820 /nfs/dbraw/zinc/48/68/20/1064486820.db2.gz RQTCIGPUKFPXBX-AWEZNQCLSA-N 0 0 455.274 4.706 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c(OC(F)F)c1 ZINC001435067113 1064487713 /nfs/dbraw/zinc/48/77/13/1064487713.db2.gz WHLVRBNNHJMFOF-UHFFFAOYSA-N 0 0 450.419 4.542 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001359811799 1064488448 /nfs/dbraw/zinc/48/84/48/1064488448.db2.gz ZKHBZZKONOKNOF-UHFFFAOYSA-N 0 0 489.546 4.562 20 0 JJADRN CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001435067717 1064488533 /nfs/dbraw/zinc/48/85/33/1064488533.db2.gz MATRPQFNHNTATF-IXCJQBJRSA-N 0 0 455.602 4.809 20 0 JJADRN C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435068543 1064489296 /nfs/dbraw/zinc/48/92/96/1064489296.db2.gz IEDGENIQAMLTMX-BMRADRMJSA-N 0 0 456.974 4.834 20 0 JJADRN C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435068553 1064489378 /nfs/dbraw/zinc/48/93/78/1064489378.db2.gz IEDGENIQAMLTMX-ICFOKQHNSA-N 0 0 456.974 4.834 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001359813628 1064490335 /nfs/dbraw/zinc/49/03/35/1064490335.db2.gz ZZPYKIRCUCCXHE-SVFBPWRDSA-N 0 0 453.797 4.940 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001435068719 1064490530 /nfs/dbraw/zinc/49/05/30/1064490530.db2.gz SQVYVZGYZQWCEC-MRXNPFEDSA-N 0 0 458.425 4.582 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)cc1C ZINC001435068930 1064490603 /nfs/dbraw/zinc/49/06/03/1064490603.db2.gz ZRLVGDGXSDCSRL-WOJBJXKFSA-N 0 0 459.409 4.636 20 0 JJADRN CO[C@@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1ccccc1Br ZINC001359813685 1064491224 /nfs/dbraw/zinc/49/12/24/1064491224.db2.gz BTWKRSMEFJVQPT-ZWKOTPCHSA-N 0 0 459.296 4.644 20 0 JJADRN CCN(C(=O)c1cc(S(C)(=O)=O)c(C)o1)[C@H](c1csc2ccccc21)c1cccnc1 ZINC001359814168 1064491242 /nfs/dbraw/zinc/49/12/42/1064491242.db2.gz WIHJVSPNRCTJJE-QFIPXVFZSA-N 0 0 454.573 4.853 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CSc2ccccc21 ZINC001359814541 1064491703 /nfs/dbraw/zinc/49/17/03/1064491703.db2.gz JLXDPSNHVKJWJD-GOSISDBHSA-N 0 0 471.671 4.860 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(Br)s1 ZINC001359814646 1064492678 /nfs/dbraw/zinc/49/26/78/1064492678.db2.gz MNLAPIQZSWFCJI-OAHLLOKOSA-N 0 0 498.491 4.647 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCCC1 ZINC001435073018 1064494953 /nfs/dbraw/zinc/49/49/53/1064494953.db2.gz PGTCJSGTDWPWON-UHFFFAOYSA-N 0 0 456.543 4.550 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001359815234 1064495612 /nfs/dbraw/zinc/49/56/12/1064495612.db2.gz YIYPRXLFFNUYMA-MOPGFXCFSA-N 0 0 456.610 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(Cl)s1 ZINC001359815194 1064495637 /nfs/dbraw/zinc/49/56/37/1064495637.db2.gz XGHFROFUDQANSU-UHFFFAOYSA-N 0 0 454.040 4.733 20 0 JJADRN Cc1cc(SCC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c(C)cc1Br ZINC001435073180 1064495709 /nfs/dbraw/zinc/49/57/09/1064495709.db2.gz LJUMAXFDCUPYLD-HNNXBMFYSA-N 0 0 455.368 4.831 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359815400 1064496249 /nfs/dbraw/zinc/49/62/49/1064496249.db2.gz JYCTWSPCUQBPSD-UHFFFAOYSA-N 0 0 493.574 4.547 20 0 JJADRN CN(C(=O)c1nc2ccccc2cc1Br)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001435074752 1064497207 /nfs/dbraw/zinc/49/72/07/1064497207.db2.gz GOANBUKDMSCQCA-GOSISDBHSA-N 0 0 458.743 4.528 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC001435075478 1064497215 /nfs/dbraw/zinc/49/72/15/1064497215.db2.gz PHVZYPQLWNWKED-UTKZUKDTSA-N 0 0 450.535 4.631 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC001435075468 1064497286 /nfs/dbraw/zinc/49/72/86/1064497286.db2.gz PHVZYPQLWNWKED-DYESRHJHSA-N 0 0 450.535 4.631 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001359816246 1064498004 /nfs/dbraw/zinc/49/80/04/1064498004.db2.gz FTDJYDGNYTVJQO-FDDCHVKYSA-N 0 0 454.636 4.993 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001359816249 1064498172 /nfs/dbraw/zinc/49/81/72/1064498172.db2.gz FTDJYDGNYTVJQO-WZONZLPQSA-N 0 0 454.636 4.993 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N(C)[C@H]3CCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001435075710 1064498333 /nfs/dbraw/zinc/49/83/33/1064498333.db2.gz KMEDULKDTZMDRA-NRFANRHFSA-N 0 0 453.995 4.832 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435075919 1064498362 /nfs/dbraw/zinc/49/83/62/1064498362.db2.gz QRWLYVDJXWDHJH-OAQYLSRUSA-N 0 0 452.599 4.950 20 0 JJADRN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1 ZINC001359816453 1064498893 /nfs/dbraw/zinc/49/88/93/1064498893.db2.gz KTYTVVZLLYCWCC-UHFFFAOYSA-N 0 0 453.322 4.764 20 0 JJADRN C[C@H]1Cc2ccccc2N(C(=O)c2ccc(Br)cc2I)C1 ZINC001435076395 1064498926 /nfs/dbraw/zinc/49/89/26/1064498926.db2.gz OQPMZBZGUDFIMW-NSHDSACASA-N 0 0 456.121 4.893 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N(C)CCc3ccc(Br)cc3)CC2=O)cc1 ZINC001435076206 1064499168 /nfs/dbraw/zinc/49/91/68/1064499168.db2.gz SIXIYMMYMGBJAB-FQEVSTJZSA-N 0 0 457.412 4.846 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359817424 1064500100 /nfs/dbraw/zinc/50/01/00/1064500100.db2.gz CLPVERDFOGWEJW-LADGPHEKSA-N 0 0 497.684 4.919 20 0 JJADRN CN(C(=O)Cc1ccc(Br)c(Cl)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001435078021 1064500287 /nfs/dbraw/zinc/50/02/87/1064500287.db2.gz WIDSDKXLMLVAGK-KRWDZBQOSA-N 0 0 456.167 4.562 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CCc1cccs1 ZINC001545888600 1064500979 /nfs/dbraw/zinc/50/09/79/1064500979.db2.gz RFEGZNBLNIIQKS-UHFFFAOYSA-N 0 0 458.031 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001359818252 1064501995 /nfs/dbraw/zinc/50/19/95/1064501995.db2.gz XNVCYMQBJLAQMI-HXUWFJFHSA-N 0 0 466.605 4.583 20 0 JJADRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1nnn(-c2ccc(F)c(F)c2)c1C ZINC001435080043 1064502070 /nfs/dbraw/zinc/50/20/70/1064502070.db2.gz GLFRMFSDUBFTEF-UHFFFAOYSA-N 0 0 450.493 4.898 20 0 JJADRN O=C(COc1ccccc1Br)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001359818519 1064502402 /nfs/dbraw/zinc/50/24/02/1064502402.db2.gz GPTBCGAKOBMSRZ-UHFFFAOYSA-N 0 0 454.320 4.501 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC001435080368 1064502729 /nfs/dbraw/zinc/50/27/29/1064502729.db2.gz MUBIQOJMKCXPEN-SNVBAGLBSA-N 0 0 450.333 4.541 20 0 JJADRN COc1cc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc(NC(C)=O)c1OC ZINC001435081668 1064503017 /nfs/dbraw/zinc/50/30/17/1064503017.db2.gz ZOZFYAFOUPEQAB-UHFFFAOYSA-N 0 0 450.539 4.706 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001359821011 1064503747 /nfs/dbraw/zinc/50/37/47/1064503747.db2.gz ZDUFEBFKDLFTAH-HSZRJFAPSA-N 0 0 454.636 4.850 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)cc2)cc1 ZINC001359820935 1064503783 /nfs/dbraw/zinc/50/37/83/1064503783.db2.gz XUUWLDFBSDNGKK-HSZRJFAPSA-N 0 0 452.620 4.701 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(C)c1 ZINC001359820941 1064503869 /nfs/dbraw/zinc/50/38/69/1064503869.db2.gz XVTSZKKWSYFGEI-OXQOHEQNSA-N 0 0 454.621 4.514 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435082353 1064504183 /nfs/dbraw/zinc/50/41/83/1064504183.db2.gz YMPJZDSUHOPHRL-XMMPIXPASA-N 0 0 454.567 4.963 20 0 JJADRN CCCN(C(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082458 1064504481 /nfs/dbraw/zinc/50/44/81/1064504481.db2.gz HBFIUVJPBVQTPC-HKUYNNGSSA-N 0 0 451.405 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359823146 1064504954 /nfs/dbraw/zinc/50/49/54/1064504954.db2.gz NQAJQKJQKZSYOB-JTSKRJEESA-N 0 0 489.611 4.963 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1sccc1Br ZINC001359822678 1064505093 /nfs/dbraw/zinc/50/50/93/1064505093.db2.gz DOSKOEOISVDGJZ-UHFFFAOYSA-N 0 0 466.836 4.960 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359823344 1064505554 /nfs/dbraw/zinc/50/55/54/1064505554.db2.gz RIJHTDUOODXDHF-UHFFFAOYSA-N 0 0 475.584 4.717 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)s2)cc1OC ZINC001435085160 1064506237 /nfs/dbraw/zinc/50/62/37/1064506237.db2.gz XCURHIHKJMADHD-INIZCTEOSA-N 0 0 458.511 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(Br)cc3C2)n1CC(F)(F)Br ZINC001359823687 1064506219 /nfs/dbraw/zinc/50/62/19/1064506219.db2.gz WRAJOFYAMGIMNQ-UHFFFAOYSA-N 0 0 478.179 4.790 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC001435086432 1064506605 /nfs/dbraw/zinc/50/66/05/1064506605.db2.gz ASPCULLKFCAVLJ-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)ccc1NC(=O)OC(C)(C)C ZINC001359824346 1064506629 /nfs/dbraw/zinc/50/66/29/1064506629.db2.gz LENUEGSWPDRZMW-LJQANCHMSA-N 0 0 459.543 4.635 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001359824413 1064506858 /nfs/dbraw/zinc/50/68/58/1064506858.db2.gz MJYMXOMTSLKHEU-HNAYVOBHSA-N 0 0 454.489 4.953 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC001435088263 1064507593 /nfs/dbraw/zinc/50/75/93/1064507593.db2.gz ZXUGOGIZCUGUKS-XMMPIXPASA-N 0 0 454.661 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359825299 1064507747 /nfs/dbraw/zinc/50/77/47/1064507747.db2.gz CACWJONPPXAQAB-QGZVFWFLSA-N 0 0 452.521 4.962 20 0 JJADRN CCCc1c(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC001435090665 1064508048 /nfs/dbraw/zinc/50/80/48/1064508048.db2.gz KHBCLANIKNFXEP-QGZVFWFLSA-N 0 0 453.974 4.519 20 0 JJADRN C[C@H](c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)N1CCOCC1 ZINC001435090067 1064508180 /nfs/dbraw/zinc/50/81/80/1064508180.db2.gz FUUGTIXRDWKXEG-OAHLLOKOSA-N 0 0 458.971 4.514 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359826224 1064508220 /nfs/dbraw/zinc/50/82/20/1064508220.db2.gz LZVQNTDDSJKUJI-GFCCVEGCSA-N 0 0 455.472 4.973 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CC(C)(C)C1 ZINC001359826451 1064508353 /nfs/dbraw/zinc/50/83/53/1064508353.db2.gz ONHQJQDJTXUBMS-GOSISDBHSA-N 0 0 459.038 4.816 20 0 JJADRN CNC(=O)CCOc1ccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC001435091059 1064508251 /nfs/dbraw/zinc/50/82/51/1064508251.db2.gz MXSBUZLRCKSTIP-UHFFFAOYSA-N 0 0 452.938 4.615 20 0 JJADRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3OC(F)(F)F)C3CCCC3)n2)cc1 ZINC001435091338 1064508711 /nfs/dbraw/zinc/50/87/11/1064508711.db2.gz LNBJMUZLSKDKIV-UHFFFAOYSA-N 0 0 459.472 4.519 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)cc1 ZINC001435091260 1064509027 /nfs/dbraw/zinc/50/90/27/1064509027.db2.gz QEDPSFJZRIIQDF-NTKDMRAZSA-N 0 0 453.970 4.699 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)c1scc(C)c1I)C(=O)OCC ZINC001435092191 1064509500 /nfs/dbraw/zinc/50/95/00/1064509500.db2.gz XWIFAXMGTUFNPS-QGZVFWFLSA-N 0 0 451.370 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359827343 1064509666 /nfs/dbraw/zinc/50/96/66/1064509666.db2.gz XWTWSYRIWUNPHG-INIZCTEOSA-N 0 0 459.557 4.655 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCCc2ccc(Br)s2)c1 ZINC001359828298 1064510230 /nfs/dbraw/zinc/51/02/30/1064510230.db2.gz CWMVOQLAUQLHDP-MRXNPFEDSA-N 0 0 453.427 4.682 20 0 JJADRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001359828366 1064510258 /nfs/dbraw/zinc/51/02/58/1064510258.db2.gz DNEVEYHVDCIEQP-INIZCTEOSA-N 0 0 453.395 4.562 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435094748 1064510710 /nfs/dbraw/zinc/51/07/10/1064510710.db2.gz HAQPFZYBVMABBA-QUCCMNQESA-N 0 0 458.624 4.676 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC001359828529 1064510727 /nfs/dbraw/zinc/51/07/27/1064510727.db2.gz FXRKCIAEVMCXJX-HXUWFJFHSA-N 0 0 455.580 4.804 20 0 JJADRN Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001435095059 1064511143 /nfs/dbraw/zinc/51/11/43/1064511143.db2.gz JPSPYEAYYQBZJB-JTSKRJEESA-N 0 0 455.396 4.722 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC001435095854 1064511507 /nfs/dbraw/zinc/51/15/07/1064511507.db2.gz PAIMZGSWCCFQTM-UHFFFAOYSA-N 0 0 452.414 4.850 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435096698 1064511576 /nfs/dbraw/zinc/51/15/76/1064511576.db2.gz UHFVFBZFZQDAQG-FPOVZHCZSA-N 0 0 456.608 4.731 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435096700 1064511672 /nfs/dbraw/zinc/51/16/72/1064511672.db2.gz UHFVFBZFZQDAQG-TZIWHRDSSA-N 0 0 456.608 4.731 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC001435097748 1064512168 /nfs/dbraw/zinc/51/21/68/1064512168.db2.gz PPZMSHOMRWDOOR-CYBMUJFWSA-N 0 0 453.764 4.757 20 0 JJADRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001435098359 1064512884 /nfs/dbraw/zinc/51/28/84/1064512884.db2.gz NIECBJKLFFWMEG-OAQYLSRUSA-N 0 0 450.963 4.535 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(Br)nn2-c2ncccc2Cl)s1 ZINC001435099051 1064513126 /nfs/dbraw/zinc/51/31/26/1064513126.db2.gz HOPRLAIPQQRDQB-SNVBAGLBSA-N 0 0 454.781 4.590 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359830401 1064513226 /nfs/dbraw/zinc/51/32/26/1064513226.db2.gz IUYFWDQVJZRPRB-KCZVDYSFSA-N 0 0 456.679 4.824 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359830497 1064513242 /nfs/dbraw/zinc/51/32/42/1064513242.db2.gz KSGOECMWEVYEKZ-UYAOXDASSA-N 0 0 481.563 4.504 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359830495 1064513288 /nfs/dbraw/zinc/51/32/88/1064513288.db2.gz KSGOECMWEVYEKZ-ICSRJNTNSA-N 0 0 481.563 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1cccc(OC)c1OC ZINC001545888737 1064513326 /nfs/dbraw/zinc/51/33/26/1064513326.db2.gz WAHMIWGPWRMREP-HXUWFJFHSA-N 0 0 497.665 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1Cc1ccccc1Br ZINC001359830865 1064513636 /nfs/dbraw/zinc/51/36/36/1064513636.db2.gz SBLCLHOGYQXXQQ-MOPGFXCFSA-N 0 0 461.448 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCCOC(F)F ZINC001359830841 1064513717 /nfs/dbraw/zinc/51/37/17/1064513717.db2.gz RMOLOOKMZOWINB-ZDUSSCGKSA-N 0 0 467.508 4.965 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC001435101251 1064514216 /nfs/dbraw/zinc/51/42/16/1064514216.db2.gz ZLIOKXXZXYQECZ-CYBMUJFWSA-N 0 0 458.049 4.616 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001435101101 1064514257 /nfs/dbraw/zinc/51/42/57/1064514257.db2.gz SGKRVQQQAAZGKU-CUZBXDDWSA-N 0 0 450.969 4.659 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC001435101256 1064514282 /nfs/dbraw/zinc/51/42/82/1064514282.db2.gz ZLIOKXXZXYQECZ-ZDUSSCGKSA-N 0 0 458.049 4.616 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC001435101192 1064514497 /nfs/dbraw/zinc/51/44/97/1064514497.db2.gz SZQIPTSYZHCTIV-LLVKDONJSA-N 0 0 452.960 4.806 20 0 JJADRN Cc1cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1C(N)=O ZINC001435101562 1064514738 /nfs/dbraw/zinc/51/47/38/1064514738.db2.gz ZUFVNAFFHIEAPQ-UHFFFAOYSA-N 0 0 456.346 4.570 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001435102195 1064514801 /nfs/dbraw/zinc/51/48/01/1064514801.db2.gz CKNCLBCEQXJICA-UHFFFAOYSA-N 0 0 453.454 4.511 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCc1ccccc1C(F)(F)F ZINC001359832228 1064515272 /nfs/dbraw/zinc/51/52/72/1064515272.db2.gz HEZVXRPQBKFNMR-IBGZPJMESA-N 0 0 479.591 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3cncn3)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359832209 1064515404 /nfs/dbraw/zinc/51/54/04/1064515404.db2.gz GYXXTMHHLVRNKN-ICSRJNTNSA-N 0 0 465.499 4.531 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001359832603 1064515945 /nfs/dbraw/zinc/51/59/45/1064515945.db2.gz MGGBVHIRHTVBQP-NRFANRHFSA-N 0 0 478.685 4.969 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1c(F)cccc1Cl ZINC001359832389 1064516029 /nfs/dbraw/zinc/51/60/29/1064516029.db2.gz JCDUIWIPBASXKC-KRWDZBQOSA-N 0 0 464.029 4.696 20 0 JJADRN Cc1ccc(NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1C(=O)NC(C)C ZINC001435106183 1064516303 /nfs/dbraw/zinc/51/63/03/1064516303.db2.gz VWNCQBGCBNFKDU-UHFFFAOYSA-N 0 0 457.324 4.563 20 0 JJADRN O=C(COCc1nc2ccccc2s1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001435107261 1064516749 /nfs/dbraw/zinc/51/67/49/1064516749.db2.gz BHNXTYNSXAQHAJ-UHFFFAOYSA-N 0 0 458.605 4.699 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCOc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107205 1064516833 /nfs/dbraw/zinc/51/68/33/1064516833.db2.gz BKHAUTXGEKOHCJ-AMGIVPHBSA-N 0 0 450.623 4.776 20 0 JJADRN Cc1nn(CC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1-c1ccccc1 ZINC001435107656 1064517365 /nfs/dbraw/zinc/51/73/65/1064517365.db2.gz GEHBFIKBWBEROD-UHFFFAOYSA-N 0 0 451.592 4.745 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1)c1cnn(C)c1 ZINC001435107572 1064517442 /nfs/dbraw/zinc/51/74/42/1064517442.db2.gz AVOBELWMHRTDDP-GOSISDBHSA-N 0 0 450.720 4.955 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCc1ccc(F)cc1Cl ZINC001359832845 1064517497 /nfs/dbraw/zinc/51/74/97/1064517497.db2.gz PNSLJYCMYVZNHG-GOSISDBHSA-N 0 0 464.029 4.500 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108333 1064517718 /nfs/dbraw/zinc/51/77/18/1064517718.db2.gz KQDQRRFWDFPFES-DFIYOIEZSA-N 0 0 454.586 4.605 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)c2)cc1 ZINC001435107834 1064517749 /nfs/dbraw/zinc/51/77/49/1064517749.db2.gz GMJRSEWEYZILKL-UHFFFAOYSA-N 0 0 451.592 4.780 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CN2c3ccccc3O[C@H](C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107848 1064517917 /nfs/dbraw/zinc/51/79/17/1064517917.db2.gz GTOJJAMDQZYGGL-VOIUYBSRSA-N 0 0 452.913 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001359833270 1064517894 /nfs/dbraw/zinc/51/78/94/1064517894.db2.gz VUSMEWNOEBITIX-FNZWTVRRSA-N 0 0 477.694 4.549 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(=O)[nH]c(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108226 1064517963 /nfs/dbraw/zinc/51/79/63/1064517963.db2.gz DTWKITLZQMRFIA-DFBJGRDBSA-N 0 0 451.611 4.536 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cc1ccc2cnccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108953 1064518395 /nfs/dbraw/zinc/51/83/95/1064518395.db2.gz JHVFTTNXWPGFEA-KMRXNPHXSA-N 0 0 457.618 4.790 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccc(F)cc1 ZINC001359833511 1064519587 /nfs/dbraw/zinc/51/95/87/1064519587.db2.gz YPBLTVBDSIUIFS-GOSISDBHSA-N 0 0 450.484 4.721 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC001359834202 1064520330 /nfs/dbraw/zinc/52/03/30/1064520330.db2.gz XTCCGUWJXDVLKM-KSSFIOAISA-N 0 0 453.391 4.918 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001359834357 1064520343 /nfs/dbraw/zinc/52/03/43/1064520343.db2.gz BKIVPLUXNNGTRS-VQTJNVASSA-N 0 0 494.453 4.691 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110840 1064520391 /nfs/dbraw/zinc/52/03/91/1064520391.db2.gz ZKBFWLUWGJCJPK-PSRPIYIESA-N 0 0 475.677 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@]1(C)OCCc2sccc21 ZINC001359834430 1064520761 /nfs/dbraw/zinc/52/07/61/1064520761.db2.gz CVNDONIOBPOURB-KKSFZXQISA-N 0 0 472.577 4.574 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCOc1cccc(Cl)c1 ZINC001359834620 1064520913 /nfs/dbraw/zinc/52/09/13/1064520913.db2.gz ICRUUZKLFHKRHN-FQEVSTJZSA-N 0 0 473.980 4.791 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@H]2CCOc3ccccc32)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435112102 1064520923 /nfs/dbraw/zinc/52/09/23/1064520923.db2.gz LDGSZOVOGFPDKB-APWZRJJASA-N 0 0 459.974 4.682 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001359834810 1064521430 /nfs/dbraw/zinc/52/14/30/1064521430.db2.gz MBFULSRJFXTLRG-LSQMVHIFSA-N 0 0 481.685 4.776 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001359834811 1064521446 /nfs/dbraw/zinc/52/14/46/1064521446.db2.gz MBFULSRJFXTLRG-SONWIMMPSA-N 0 0 481.685 4.776 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H](C)CSC(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435113083 1064521274 /nfs/dbraw/zinc/52/12/74/1064521274.db2.gz YOMIOLTZOAXPPO-SQGPQFPESA-N 0 0 458.590 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359835309 1064521717 /nfs/dbraw/zinc/52/17/17/1064521717.db2.gz VGYLNTXERAURLQ-KRWDZBQOSA-N 0 0 469.552 4.753 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(OC)c(Br)c2)CC[C@@H]1c1ccc(C)o1 ZINC001435114086 1064521851 /nfs/dbraw/zinc/52/18/51/1064521851.db2.gz HDEQODXJNWSZGZ-HZPDHXFCSA-N 0 0 451.317 4.660 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1ccc(OC)c(Br)c1 ZINC001435114084 1064521866 /nfs/dbraw/zinc/52/18/66/1064521866.db2.gz HDEQODXJNWSZGZ-CVEARBPZSA-N 0 0 451.317 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1SCCc2ccccc21 ZINC001359835583 1064522324 /nfs/dbraw/zinc/52/23/24/1064522324.db2.gz XYMBHQILPVOEIK-IRLDBZIGSA-N 0 0 469.699 4.638 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001435115172 1064522543 /nfs/dbraw/zinc/52/25/43/1064522543.db2.gz RQSFDBUELHQSNS-IBGZPJMESA-N 0 0 459.359 4.712 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)ccc21 ZINC001435115161 1064522621 /nfs/dbraw/zinc/52/26/21/1064522621.db2.gz RNXUORYJOYAMQV-UHFFFAOYSA-N 0 0 456.546 4.792 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC001435115535 1064522950 /nfs/dbraw/zinc/52/29/50/1064522950.db2.gz SSXOCKBQAWURKR-UHFFFAOYSA-N 0 0 454.342 4.966 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359836052 1064523238 /nfs/dbraw/zinc/52/32/38/1064523238.db2.gz CWQZGAWDMBPLJC-JOCHJYFZSA-N 0 0 454.663 4.592 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2ccc3c(c2)OCO3)n1CCSCC(F)(F)F ZINC001359835904 1064523253 /nfs/dbraw/zinc/52/32/53/1064523253.db2.gz BVEPMQIXDIZTKL-INIZCTEOSA-N 0 0 456.534 4.842 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)s2)cc1 ZINC001435115816 1064523417 /nfs/dbraw/zinc/52/34/17/1064523417.db2.gz IYEJJCYZHWSELR-UHFFFAOYSA-N 0 0 459.568 4.545 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001359837669 1064524296 /nfs/dbraw/zinc/52/42/96/1064524296.db2.gz KFTBYOUAQKTBMK-QRQCRPRQSA-N 0 0 453.421 4.827 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)cc2)nc1 ZINC001435116300 1064524150 /nfs/dbraw/zinc/52/41/50/1064524150.db2.gz OSJUOSNVPSVGOV-UHFFFAOYSA-N 0 0 457.577 4.671 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CC1=O ZINC001435116538 1064524164 /nfs/dbraw/zinc/52/41/64/1064524164.db2.gz QTYNPOIORDBSOA-MRXNPFEDSA-N 0 0 451.910 4.836 20 0 JJADRN CC(C)n1cc([C@@H](C)NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cn1 ZINC001435116527 1064524215 /nfs/dbraw/zinc/52/42/15/1064524215.db2.gz QHCYQUBKSWGSJP-OAHLLOKOSA-N 0 0 456.388 4.782 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001435117198 1064524767 /nfs/dbraw/zinc/52/47/67/1064524767.db2.gz BZJZTIQMKVQNEP-DHIUTWEWSA-N 0 0 452.348 4.999 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@@]3(CNC(=O)OC(C)(C)C)CCCC[C@H]3C)c2)n1 ZINC001359838177 1064524748 /nfs/dbraw/zinc/52/47/48/1064524748.db2.gz VJLBULMELZGFGS-WXTAPIANSA-N 0 0 454.615 4.752 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCCn1cc(Br)cn1 ZINC001359839120 1064525916 /nfs/dbraw/zinc/52/59/16/1064525916.db2.gz LTRZVOOTDASLBJ-QFIPXVFZSA-N 0 0 461.452 4.853 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359839592 1064526365 /nfs/dbraw/zinc/52/63/65/1064526365.db2.gz RDQGIPIIKJIYOB-QFIPXVFZSA-N 0 0 479.629 4.947 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001435119883 1064526372 /nfs/dbraw/zinc/52/63/72/1064526372.db2.gz NYXYNHGAGFXRPY-FCHUYYIVSA-N 0 0 452.352 4.861 20 0 JJADRN CCc1c(C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1 ZINC001435120084 1064526443 /nfs/dbraw/zinc/52/64/43/1064526443.db2.gz PEMGMJXSDXYLMC-KRWDZBQOSA-N 0 0 452.864 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1Cc1ccc(Cl)s1 ZINC001359840716 1064526986 /nfs/dbraw/zinc/52/69/86/1064526986.db2.gz ONASPYGDPBLDCN-UHFFFAOYSA-N 0 0 490.048 4.660 20 0 JJADRN COC[C@H](NC(=O)c1cc(Br)c2nccnc2c1)c1cccc(C(F)(F)F)c1 ZINC001435121349 1064527410 /nfs/dbraw/zinc/52/74/10/1064527410.db2.gz VLHSVEPEMXEVAG-INIZCTEOSA-N 0 0 454.246 4.529 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCSC(F)(F)F ZINC001359841032 1064527606 /nfs/dbraw/zinc/52/76/06/1064527606.db2.gz ZAJKMEJQQMDKCP-UHFFFAOYSA-N 0 0 489.995 4.736 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)cc1OC ZINC001435121713 1064528090 /nfs/dbraw/zinc/52/80/90/1064528090.db2.gz WJVWKWFLKGBGTF-ZNSVGSLASA-N 0 0 450.551 4.590 20 0 JJADRN COC[C@@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)c1cccc(C(F)(F)F)c1 ZINC001435121718 1064528125 /nfs/dbraw/zinc/52/81/25/1064528125.db2.gz XUPNNNYFVDUKIX-OAQYLSRUSA-N 0 0 454.452 4.865 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC(OCCc4ccccc4)CC3)s2)cc1OC ZINC001435123165 1064528982 /nfs/dbraw/zinc/52/89/82/1064528982.db2.gz HQTUEGSWLUMURN-UHFFFAOYSA-N 0 0 452.576 4.691 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001435122979 1064529303 /nfs/dbraw/zinc/52/93/03/1064529303.db2.gz FAJCBXXEKCDRBC-DQEYMECFSA-N 0 0 451.542 4.849 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001435124013 1064529727 /nfs/dbraw/zinc/52/97/27/1064529727.db2.gz WVSPRSXDHVVJJM-RUZDIDTESA-N 0 0 450.966 4.955 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1)C(C)C ZINC001435124172 1064530336 /nfs/dbraw/zinc/53/03/36/1064530336.db2.gz CJOSOBPNYZGYKZ-AWEZNQCLSA-N 0 0 451.336 4.751 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001435125043 1064530768 /nfs/dbraw/zinc/53/07/68/1064530768.db2.gz HEVKDZAAKVEKNH-HSZRJFAPSA-N 0 0 454.998 4.825 20 0 JJADRN CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1 ZINC001435125373 1064531249 /nfs/dbraw/zinc/53/12/49/1064531249.db2.gz QUBHCRGNPXFRHS-INIZCTEOSA-N 0 0 452.979 4.957 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC(C)(C)C(F)(F)F ZINC001359846120 1064531738 /nfs/dbraw/zinc/53/17/38/1064531738.db2.gz NHRKTSFFRIFORQ-UHFFFAOYSA-N 0 0 457.585 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359846185 1064531753 /nfs/dbraw/zinc/53/17/53/1064531753.db2.gz OZNLHNLUUNITEL-UHFFFAOYSA-N 0 0 496.700 4.716 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001435125904 1064531984 /nfs/dbraw/zinc/53/19/84/1064531984.db2.gz KWXWRVITBTUHDO-LAUBAEHRSA-N 0 0 451.535 4.863 20 0 JJADRN Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)C(C)(C)C ZINC001435126304 1064532425 /nfs/dbraw/zinc/53/24/25/1064532425.db2.gz MWIMWXMCADOQPZ-UHFFFAOYSA-N 0 0 450.988 4.826 20 0 JJADRN Cc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cnn1-c1ccccc1F ZINC001435127101 1064532908 /nfs/dbraw/zinc/53/29/08/1064532908.db2.gz FCIDGOFKGIXURF-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC001435127710 1064533426 /nfs/dbraw/zinc/53/34/26/1064533426.db2.gz ILPIRVCXOXXIKG-UHFFFAOYSA-N 0 0 455.986 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359847368 1064533651 /nfs/dbraw/zinc/53/36/51/1064533651.db2.gz UQKKNFNPZKEGFK-OAQYLSRUSA-N 0 0 465.633 4.921 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359847367 1064533698 /nfs/dbraw/zinc/53/36/98/1064533698.db2.gz UQKKNFNPZKEGFK-NRFANRHFSA-N 0 0 465.633 4.921 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1nc2c(s1)CCCC2 ZINC001359847381 1064533727 /nfs/dbraw/zinc/53/37/27/1064533727.db2.gz VAIJCXOUTSDOMW-SFHVURJKSA-N 0 0 488.702 4.500 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)NCCCc1ccc(Br)cc1F ZINC001435128114 1064533974 /nfs/dbraw/zinc/53/39/74/1064533974.db2.gz ZLHRDMDZSYKGTM-UHFFFAOYSA-N 0 0 453.299 4.831 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359847612 1064534403 /nfs/dbraw/zinc/53/44/03/1064534403.db2.gz ZECJHFJSQKMYND-FQEVSTJZSA-N 0 0 499.704 4.643 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc2c(Br)cccc2cn1 ZINC001435128711 1064534502 /nfs/dbraw/zinc/53/45/02/1064534502.db2.gz VCLULMNLGGCMKF-UHFFFAOYSA-N 0 0 457.368 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CCCc1cccc(F)c1 ZINC001359848756 1064534722 /nfs/dbraw/zinc/53/47/22/1064534722.db2.gz CODBVEOEEPUXNB-HXUWFJFHSA-N 0 0 483.636 4.638 20 0 JJADRN CCC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC001359848941 1064534776 /nfs/dbraw/zinc/53/47/76/1064534776.db2.gz PONQBUKWQRJMDN-XMMPIXPASA-N 0 0 456.652 4.738 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CCCc1cccc(F)c1 ZINC001359848755 1064534847 /nfs/dbraw/zinc/53/48/47/1064534847.db2.gz CODBVEOEEPUXNB-FQEVSTJZSA-N 0 0 483.636 4.638 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001359848960 1064535005 /nfs/dbraw/zinc/53/50/05/1064535005.db2.gz FDZQSGHWSBNXIM-BVSLBCMMSA-N 0 0 453.631 4.726 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001435129286 1064535136 /nfs/dbraw/zinc/53/51/36/1064535136.db2.gz JRFDFHYZVQAVMG-CQSZACIVSA-N 0 0 457.340 4.538 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(Br)cc1)C1CCCCCC1 ZINC001435132205 1064536841 /nfs/dbraw/zinc/53/68/41/1064536841.db2.gz RYQYMTJVZYRNGC-LJQANCHMSA-N 0 0 453.421 4.972 20 0 JJADRN CCCCCn1nc(C(=O)NCCCc2cccc(Br)c2)c2ccccc2c1=O ZINC001435133180 1064537132 /nfs/dbraw/zinc/53/71/32/1064537132.db2.gz BYPJFDBAVIAMNF-UHFFFAOYSA-N 0 0 456.384 4.712 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001435133450 1064537217 /nfs/dbraw/zinc/53/72/17/1064537217.db2.gz GWSMMVRMNGXGQE-UHFFFAOYSA-N 0 0 451.375 4.939 20 0 JJADRN Cc1cc([C@H](CC(=O)NCCc2ccc(F)cc2F)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435133974 1064537681 /nfs/dbraw/zinc/53/76/81/1064537681.db2.gz MFAFIIBKORVRTL-SFHVURJKSA-N 0 0 453.917 4.636 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCCc2ccc(F)cc2F)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001435133970 1064537710 /nfs/dbraw/zinc/53/77/10/1064537710.db2.gz MFAFIIBKORVRTL-GOSISDBHSA-N 0 0 453.917 4.636 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC001435133687 1064537862 /nfs/dbraw/zinc/53/78/62/1064537862.db2.gz JPYKZDMTBATPHA-HSZRJFAPSA-N 0 0 458.514 4.899 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001359850788 1064537917 /nfs/dbraw/zinc/53/79/17/1064537917.db2.gz WSETUGILJPWFRM-LJQANCHMSA-N 0 0 479.591 4.919 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(Cc3ccccc3Br)CC2)c1 ZINC001435135698 1064539235 /nfs/dbraw/zinc/53/92/35/1064539235.db2.gz RTJGIGYBVBHRPP-UHFFFAOYSA-N 0 0 450.398 4.734 20 0 JJADRN CC(C)[C@@H](CNC(=O)CC1(Cn2cnnn2)CCCCC1)Cc1ccc(Cl)cc1Cl ZINC001435137139 1064539372 /nfs/dbraw/zinc/53/93/72/1064539372.db2.gz XXAJJSCQNACHKP-GOSISDBHSA-N 0 0 452.430 4.952 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCc1cccc(Br)c1 ZINC001435137304 1064539730 /nfs/dbraw/zinc/53/97/30/1064539730.db2.gz TZWQWCKVCXPSKX-UHFFFAOYSA-N 0 0 452.348 4.808 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@H](c3oc4ccccc4c3C)C(C)C)CC2=O)c(OC)c1 ZINC001435137817 1064539747 /nfs/dbraw/zinc/53/97/47/1064539747.db2.gz LXAGUZSHIMKNPG-XDHUDOTRSA-N 0 0 450.535 4.625 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCCCNC(=O)OC(C)(C)C ZINC001359852708 1064540029 /nfs/dbraw/zinc/54/00/29/1064540029.db2.gz RZIUBOQSRYQPBI-FQEVSTJZSA-N 0 0 488.652 4.636 20 0 JJADRN CC(C)Oc1ncc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc1Cl ZINC001435139573 1064540739 /nfs/dbraw/zinc/54/07/39/1064540739.db2.gz UKCLOEZZWHQJSU-UHFFFAOYSA-N 0 0 456.930 4.692 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435140728 1064541313 /nfs/dbraw/zinc/54/13/13/1064541313.db2.gz GCLMLOUDNCHSGE-NBGIEHNGSA-N 0 0 457.574 4.641 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(Oc3cc(C)ccn3)cc2)cc1OC ZINC001359854690 1064541829 /nfs/dbraw/zinc/54/18/29/1064541829.db2.gz QGOHZKJOUTYINV-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN O=C(c1c(F)c(Br)ccc1I)N1C2CCCC1CCC2 ZINC001435142377 1064542652 /nfs/dbraw/zinc/54/26/52/1064542652.db2.gz OZHNNNMRUVFAPD-UHFFFAOYSA-N 0 0 452.105 4.740 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC001435143316 1064543700 /nfs/dbraw/zinc/54/37/00/1064543700.db2.gz MLAWDBAJIOQUTM-UQBPGWFLSA-N 0 0 458.549 4.549 20 0 JJADRN O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)c1cnc(F)c(Br)c1 ZINC001359857341 1064544173 /nfs/dbraw/zinc/54/41/73/1064544173.db2.gz VWIHSOVOVNPKEA-IBGZPJMESA-N 0 0 454.299 4.584 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)n1 ZINC001359857476 1064544205 /nfs/dbraw/zinc/54/42/05/1064544205.db2.gz ZWZVIIWIUWQWPY-FQEVSTJZSA-N 0 0 450.336 4.753 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001359857518 1064544233 /nfs/dbraw/zinc/54/42/33/1064544233.db2.gz AENWBWJJDYIALI-AREMUKBSSA-N 0 0 458.537 4.904 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cnc4ccc(C)cn4c3=O)cc2C)cc1 ZINC001435143682 1064544236 /nfs/dbraw/zinc/54/42/36/1064544236.db2.gz COWMIUMZNHLNHZ-UHFFFAOYSA-N 0 0 455.558 4.779 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)cc1 ZINC001359857856 1064544688 /nfs/dbraw/zinc/54/46/88/1064544688.db2.gz FRZHRIWEWCUWFF-IAPPQJPRSA-N 0 0 459.590 4.858 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001435145005 1064545172 /nfs/dbraw/zinc/54/51/72/1064545172.db2.gz ZGRTXQFFZMUSDV-DYESRHJHSA-N 0 0 455.396 4.706 20 0 JJADRN CCN(C(=O)Cc1ccccc1O[C@@H]1CCOC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858031 1064545189 /nfs/dbraw/zinc/54/51/89/1064545189.db2.gz HHBGJJCJTQUHID-RLWLMLJZSA-N 0 0 452.501 4.708 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1Cc1csc2ccccc12 ZINC001359858140 1064545372 /nfs/dbraw/zinc/54/53/72/1064545372.db2.gz KPYBXXHLKFZCHT-INIZCTEOSA-N 0 0 451.562 4.812 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)c1=O ZINC001359858095 1064545475 /nfs/dbraw/zinc/54/54/75/1064545475.db2.gz IWDYIAFCIYRJNK-HHHXNRCGSA-N 0 0 456.590 4.945 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001435145083 1064545280 /nfs/dbraw/zinc/54/52/80/1064545280.db2.gz VLKZOGOBFAHVGH-OAHLLOKOSA-N 0 0 455.318 4.916 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C)c4ccc(Br)cc4)CC3)on2)cc1 ZINC001435145514 1064545775 /nfs/dbraw/zinc/54/57/75/1064545775.db2.gz XSYVBKKJFXMKLA-QGZVFWFLSA-N 0 0 454.368 4.932 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 ZINC001435145558 1064545929 /nfs/dbraw/zinc/54/59/29/1064545929.db2.gz XXKJSXZTEXKJBQ-HNNXBMFYSA-N 0 0 458.331 4.762 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)cc2)c1 ZINC001435146527 1064546835 /nfs/dbraw/zinc/54/68/35/1064546835.db2.gz BPFLQWKESKNMCY-UHFFFAOYSA-N 0 0 452.436 4.892 20 0 JJADRN CCOC(=O)N1CSC[C@H]1C(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001435146069 1064546855 /nfs/dbraw/zinc/54/68/55/1064546855.db2.gz YBURUIHJAJTRID-QFIPXVFZSA-N 0 0 456.608 4.681 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC001435146347 1064547093 /nfs/dbraw/zinc/54/70/93/1064547093.db2.gz AICALTHZEZPUGO-INIZCTEOSA-N 0 0 455.045 4.525 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359859782 1064548021 /nfs/dbraw/zinc/54/80/21/1064548021.db2.gz IMVYJNUCXMDXCD-LEWJYISDSA-N 0 0 460.066 4.767 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001359859783 1064548716 /nfs/dbraw/zinc/54/87/16/1064548716.db2.gz IMVYJNUCXMDXCD-NHCUHLMSSA-N 0 0 460.066 4.767 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cccc(Cl)c3SCC(F)F)C2)c1 ZINC001435148511 1064548690 /nfs/dbraw/zinc/54/86/90/1064548690.db2.gz MMPVHZFHYVBAMF-KRWDZBQOSA-N 0 0 456.898 4.846 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC001435148727 1064548789 /nfs/dbraw/zinc/54/87/89/1064548789.db2.gz MVLLNEQVTQOUJX-SUMWQHHRSA-N 0 0 454.748 4.855 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2Br)c1cnnn1-c1cccc(Cl)c1Cl ZINC001359860214 1064548959 /nfs/dbraw/zinc/54/89/59/1064548959.db2.gz LVACQMMUFCZALJ-AWEZNQCLSA-N 0 0 452.139 4.754 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)ccc1Cl ZINC001435149664 1064549903 /nfs/dbraw/zinc/54/99/03/1064549903.db2.gz UMUOCVNSMWFONV-OAHLLOKOSA-N 0 0 457.423 4.727 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)c1ccc2cnccc2c1 ZINC001359860758 1064550107 /nfs/dbraw/zinc/55/01/07/1064550107.db2.gz RYAMBBCIOXJHIZ-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(C)c1Br ZINC001435150596 1064550525 /nfs/dbraw/zinc/55/05/25/1064550525.db2.gz UAVMYOCNQFXERP-UHFFFAOYSA-N 0 0 453.421 4.775 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC001435150282 1064550573 /nfs/dbraw/zinc/55/05/73/1064550573.db2.gz XHHLAWBXXIBIRY-RUZDIDTESA-N 0 0 458.558 4.682 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359861107 1064550724 /nfs/dbraw/zinc/55/07/24/1064550724.db2.gz MREOSAQPLONHHJ-OFNKIYASSA-N 0 0 459.704 4.702 20 0 JJADRN O=C(N[C@H]1CCc2c1cccc2Br)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001359861009 1064551000 /nfs/dbraw/zinc/55/10/00/1064551000.db2.gz WKVBAKJJKLJYHG-HNNXBMFYSA-N 0 0 452.139 4.754 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435151453 1064550878 /nfs/dbraw/zinc/55/08/78/1064550878.db2.gz VEOVSZLNYXVKTQ-UKRRQHHQSA-N 0 0 457.290 4.630 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001435151451 1064550961 /nfs/dbraw/zinc/55/09/61/1064550961.db2.gz VEOVSZLNYXVKTQ-DZGCQCFKSA-N 0 0 457.290 4.630 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359861106 1064551347 /nfs/dbraw/zinc/55/13/47/1064551347.db2.gz MREOSAQPLONHHJ-NZQKXSOJSA-N 0 0 459.704 4.702 20 0 JJADRN COc1cccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)c1OC ZINC001435151444 1064551598 /nfs/dbraw/zinc/55/15/98/1064551598.db2.gz CWTKFQIPLRKXCJ-UHFFFAOYSA-N 0 0 453.445 4.999 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@@H]1CC=CCC1 ZINC001359861557 1064551894 /nfs/dbraw/zinc/55/18/94/1064551894.db2.gz ZEKDEFMFPGCSGW-HXUWFJFHSA-N 0 0 456.704 4.909 20 0 JJADRN COc1cc(N(C)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc(OC)c1OC ZINC001435153788 1064552102 /nfs/dbraw/zinc/55/21/02/1064552102.db2.gz FHEZWSQOKJOGOQ-UHFFFAOYSA-N 0 0 451.454 4.640 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001435154228 1064552236 /nfs/dbraw/zinc/55/22/36/1064552236.db2.gz HCJBCTKORKAMAC-QHCPKHFHSA-N 0 0 457.636 4.754 20 0 JJADRN CCN(C(=O)Cn1cnc(-c2ccccc2)cc1=O)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001359862511 1064553043 /nfs/dbraw/zinc/55/30/43/1064553043.db2.gz VNKWQOZMHHBOBF-SANMLTNESA-N 0 0 458.949 4.597 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001435155397 1064553199 /nfs/dbraw/zinc/55/31/99/1064553199.db2.gz WYTPBWVKMOREAU-JNMBUGSCSA-N 0 0 452.595 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCc1ccc(Cl)s1 ZINC001359862638 1064553443 /nfs/dbraw/zinc/55/34/43/1064553443.db2.gz LKKYDAGGJMRNTG-UHFFFAOYSA-N 0 0 458.941 4.670 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)Nc1ccc(I)cn1 ZINC001435156612 1064553725 /nfs/dbraw/zinc/55/37/25/1064553725.db2.gz SSZKXMMIDKVSTA-UHFFFAOYSA-N 0 0 459.378 4.667 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)cc1 ZINC001435157121 1064554078 /nfs/dbraw/zinc/55/40/78/1064554078.db2.gz TZHKSBNRSTZDON-LWLIDHTLSA-N 0 0 455.723 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001359864996 1064554951 /nfs/dbraw/zinc/55/49/51/1064554951.db2.gz UOGXHCMCDQOWJS-HSZRJFAPSA-N 0 0 453.631 4.515 20 0 JJADRN O=C(Nc1cccc(OC(=O)c2cnn(-c3ccccc3)c2Br)c1)c1ccco1 ZINC001435159408 1064555252 /nfs/dbraw/zinc/55/52/52/1064555252.db2.gz YMGIBSYUSNFSGN-UHFFFAOYSA-N 0 0 452.264 4.699 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N[C@H](Cc3ccc(C)cc3)c3ccccn3)n2)cc1 ZINC001435159187 1064555281 /nfs/dbraw/zinc/55/52/81/1064555281.db2.gz BJXUQSTVCXCSTJ-XMMPIXPASA-N 0 0 456.546 4.872 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCN(C)CC(F)(F)F ZINC001359865367 1064555255 /nfs/dbraw/zinc/55/52/55/1064555255.db2.gz DNQMGFSWMBYLKQ-GOSISDBHSA-N 0 0 493.496 4.567 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001435159352 1064555322 /nfs/dbraw/zinc/55/53/22/1064555322.db2.gz XTRCDNIUVGORDQ-SSEXGKCCSA-N 0 0 455.601 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCCOCC1CCOCC1 ZINC001359865659 1064555754 /nfs/dbraw/zinc/55/57/54/1064555754.db2.gz HFKXGRPMASHMCT-LJQANCHMSA-N 0 0 483.078 4.603 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359865790 1064555808 /nfs/dbraw/zinc/55/58/08/1064555808.db2.gz JCAAWMFOIWLFMV-BQFCYCMXSA-N 0 0 453.052 4.973 20 0 JJADRN Cc1c(Br)csc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC001435159560 1064555726 /nfs/dbraw/zinc/55/57/26/1064555726.db2.gz XXSRZYZSGYDHJH-IBGZPJMESA-N 0 0 457.393 4.823 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC001435159831 1064555953 /nfs/dbraw/zinc/55/59/53/1064555953.db2.gz BIRPTVDFBFUNKS-FQEVSTJZSA-N 0 0 454.398 4.821 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001359865791 1064556010 /nfs/dbraw/zinc/55/60/10/1064556010.db2.gz JCAAWMFOIWLFMV-MHORFTMASA-N 0 0 453.052 4.973 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1I ZINC001435160510 1064556256 /nfs/dbraw/zinc/55/62/56/1064556256.db2.gz IRESFNJHJYGLLE-DEOSSOPVSA-N 0 0 455.361 4.899 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccccn2)cc1 ZINC001435160378 1064556322 /nfs/dbraw/zinc/55/63/22/1064556322.db2.gz HQNRDJDGYMCJJA-SQHAQQRYSA-N 0 0 455.602 4.959 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccccn2)cc1 ZINC001435160371 1064556464 /nfs/dbraw/zinc/55/64/64/1064556464.db2.gz HQNRDJDGYMCJJA-RPLLCQBOSA-N 0 0 455.602 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H]1CCOC[C@H]1C ZINC001359865941 1064556386 /nfs/dbraw/zinc/55/63/86/1064556386.db2.gz KWWKNTOBXRYPRB-QFUCXCTJSA-N 0 0 466.548 4.746 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1Cc1ccsc1 ZINC001359865898 1064556458 /nfs/dbraw/zinc/55/64/58/1064556458.db2.gz KCSNBBYIXPEUJJ-LJQANCHMSA-N 0 0 461.429 4.927 20 0 JJADRN COc1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1NC(=O)C1CCCCC1 ZINC001435160970 1064556775 /nfs/dbraw/zinc/55/67/75/1064556775.db2.gz ACSOHFNKKMDSBK-UHFFFAOYSA-N 0 0 453.930 4.700 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359866111 1064556848 /nfs/dbraw/zinc/55/68/48/1064556848.db2.gz NNNIDZGPEIVDFY-IERDGZPVSA-N 0 0 467.060 4.739 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)[C@H]1C ZINC001435161445 1064557344 /nfs/dbraw/zinc/55/73/44/1064557344.db2.gz JREHFVXXGMDDNB-IUCAKERBSA-N 0 0 454.852 4.843 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001435161429 1064557358 /nfs/dbraw/zinc/55/73/58/1064557358.db2.gz BPNKEZIFVDJPBO-SOLBZPMBSA-N 0 0 453.421 4.874 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435161858 1064557390 /nfs/dbraw/zinc/55/73/90/1064557390.db2.gz GYOHSAQPCHIDEQ-UGSOOPFHSA-N 0 0 451.354 4.960 20 0 JJADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCCC[C@H]2C)c1 ZINC001435161965 1064557856 /nfs/dbraw/zinc/55/78/56/1064557856.db2.gz PTJQXSGYUXPRHR-CEXWTWQISA-N 0 0 458.599 4.912 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C[C@@H]1CSCCS1 ZINC001359866633 1064558073 /nfs/dbraw/zinc/55/80/73/1064558073.db2.gz VYTIPBMQLITWAB-MOPGFXCFSA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccccc1 ZINC001435162289 1064558397 /nfs/dbraw/zinc/55/83/97/1064558397.db2.gz QTFNLCLWPCIRFD-XFSFLGPDSA-N 0 0 458.624 4.981 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nccs3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359867559 1064559515 /nfs/dbraw/zinc/55/95/15/1064559515.db2.gz CHUFYHITAINENI-SFHVURJKSA-N 0 0 481.544 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCC(=O)NC1CCCCC1 ZINC001359867899 1064559573 /nfs/dbraw/zinc/55/95/73/1064559573.db2.gz FOJKJHADKVWYJQ-JOCHJYFZSA-N 0 0 492.039 4.686 20 0 JJADRN COc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)cc1I ZINC001435164092 1064559988 /nfs/dbraw/zinc/55/99/88/1064559988.db2.gz MCDURMBCZHOMNX-FZKQIMNGSA-N 0 0 453.345 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1CCOCC(F)(F)C(F)F ZINC001359868319 1064560085 /nfs/dbraw/zinc/56/00/85/1064560085.db2.gz JOVXYXIYITWWPY-KRWDZBQOSA-N 0 0 478.918 4.625 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)ccc2Br ZINC001435164558 1064560687 /nfs/dbraw/zinc/56/06/87/1064560687.db2.gz RNYPIBSQZZNWLU-BETUJISGSA-N 0 0 451.361 4.974 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001435165283 1064561270 /nfs/dbraw/zinc/56/12/70/1064561270.db2.gz YAFUEVJYEPAECZ-GASCZTMLSA-N 0 0 453.674 4.885 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359868939 1064561343 /nfs/dbraw/zinc/56/13/43/1064561343.db2.gz PNCKQTUVYZZCHY-DXIQSLLYSA-N 0 0 478.584 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCCNc1ccccn1 ZINC001359869219 1064561572 /nfs/dbraw/zinc/56/15/72/1064561572.db2.gz URSHMXYHKOKJEO-NRFANRHFSA-N 0 0 499.457 4.714 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC001435166088 1064561736 /nfs/dbraw/zinc/56/17/36/1064561736.db2.gz GZIIUDNKVGLUHY-UHFFFAOYSA-N 0 0 455.457 4.728 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359869985 1064562234 /nfs/dbraw/zinc/56/22/34/1064562234.db2.gz LAPNBAFQADENBR-UHFFFAOYSA-N 0 0 485.620 4.566 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H]1CSCCS1 ZINC001359869512 1064562321 /nfs/dbraw/zinc/56/23/21/1064562321.db2.gz ZQJZJNRVYJTERG-SJORKVTESA-N 0 0 481.757 4.657 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCc1ccc(Br)cc1 ZINC001435167050 1064562539 /nfs/dbraw/zinc/56/25/39/1064562539.db2.gz ZAJAPUXFWCBOOH-UHFFFAOYSA-N 0 0 454.311 4.642 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC001435167248 1064562643 /nfs/dbraw/zinc/56/26/43/1064562643.db2.gz ACWJKYSWUANLHT-UQBPGWFLSA-N 0 0 455.555 4.844 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359871416 1064563470 /nfs/dbraw/zinc/56/34/70/1064563470.db2.gz XZIVJEHWTCKVGB-JTHBVZDNSA-N 0 0 485.673 4.570 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)C2=O)c1 ZINC001435168033 1064563748 /nfs/dbraw/zinc/56/37/48/1064563748.db2.gz IQGNUVUIHHAABM-WMZHIEFXSA-N 0 0 457.530 4.979 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n(-c2nc(C)cc(C)n2)n1 ZINC001359872258 1064563905 /nfs/dbraw/zinc/56/39/05/1064563905.db2.gz IORWJQXALFKLJP-UHFFFAOYSA-N 0 0 454.250 4.621 20 0 JJADRN COC[C@@]1(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435168696 1064564048 /nfs/dbraw/zinc/56/40/48/1064564048.db2.gz LPMPCOOZJAARHG-RUZDIDTESA-N 0 0 455.555 4.703 20 0 JJADRN COCc1csc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)n1 ZINC001435169330 1064564593 /nfs/dbraw/zinc/56/45/93/1064564593.db2.gz MHONYSCCIXSSEC-UHFFFAOYSA-N 0 0 456.877 4.888 20 0 JJADRN COCCN(CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)C(=O)OC(C)(C)C ZINC001435169414 1064564693 /nfs/dbraw/zinc/56/46/93/1064564693.db2.gz FLJDZBBLYRTJLA-UHFFFAOYSA-N 0 0 458.946 4.705 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC001435169850 1064564758 /nfs/dbraw/zinc/56/47/58/1064564758.db2.gz JLOCDWMJPHEYDR-WJOKGBTCSA-N 0 0 454.935 4.585 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359874047 1064564800 /nfs/dbraw/zinc/56/48/00/1064564800.db2.gz VEVICJFIPPJLHO-KGLIPLIRSA-N 0 0 453.443 4.810 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359874048 1064564899 /nfs/dbraw/zinc/56/48/99/1064564899.db2.gz VEVICJFIPPJLHO-UONOGXRCSA-N 0 0 453.443 4.810 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(c2ccccc2)CCC1 ZINC001359874256 1064564915 /nfs/dbraw/zinc/56/49/15/1064564915.db2.gz ZDHQQFSLOYLKAJ-OAQYLSRUSA-N 0 0 453.631 4.702 20 0 JJADRN O=C(CCN1C(=O)CCc2cc(F)ccc21)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001435169847 1064565342 /nfs/dbraw/zinc/56/53/42/1064565342.db2.gz HDIWBHMDJOBNPO-YTTGMZPUSA-N 0 0 456.583 4.715 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 ZINC001359875265 1064565470 /nfs/dbraw/zinc/56/54/70/1064565470.db2.gz MPZFPSBQHKHAOF-SANMLTNESA-N 0 0 458.558 4.932 20 0 JJADRN CC[C@@]1(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435170942 1064565571 /nfs/dbraw/zinc/56/55/71/1064565571.db2.gz OVONSVDOIUKUKR-GOXGLGGOSA-N 0 0 456.608 4.970 20 0 JJADRN Cc1cc(CN(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc(C)c1OCc1ccccc1Cl ZINC001435170855 1064565880 /nfs/dbraw/zinc/56/58/80/1064565880.db2.gz RSQVOQWAZCFEDR-RTWAWAEBSA-N 0 0 471.903 4.841 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 ZINC001435171896 1064566249 /nfs/dbraw/zinc/56/62/49/1064566249.db2.gz YRIMNXSFPWXWHQ-UHFFFAOYSA-N 0 0 457.328 4.522 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCSCC1 ZINC001435171860 1064566366 /nfs/dbraw/zinc/56/63/66/1064566366.db2.gz UGDAINPRLVDLFC-WJOKGBTCSA-N 0 0 459.633 4.788 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn(CC3CCC3)c2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001359876575 1064566711 /nfs/dbraw/zinc/56/67/11/1064566711.db2.gz AHWOXSZITYJEKM-NRFANRHFSA-N 0 0 457.573 4.798 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001359877137 1064567246 /nfs/dbraw/zinc/56/72/46/1064567246.db2.gz MTIBBVSVBJHNIH-RTBURBONSA-N 0 0 463.964 4.953 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)nn1-c1ccc(Cl)cc1 ZINC001359876899 1064567355 /nfs/dbraw/zinc/56/73/55/1064567355.db2.gz BPHILOJLLMTRCM-UHFFFAOYSA-N 0 0 454.983 4.584 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001435173331 1064567521 /nfs/dbraw/zinc/56/75/21/1064567521.db2.gz RURUVPGFLUNWQH-NLGDKJDOSA-N 0 0 452.620 4.743 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2c(I)ccc(Br)c2F)[C@@H](C)C1 ZINC001435173863 1064567723 /nfs/dbraw/zinc/56/77/23/1064567723.db2.gz SVIWIRLZFVQJBX-PTRXPTGYSA-N 0 0 454.121 4.747 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)cc2)no1 ZINC001435173871 1064567783 /nfs/dbraw/zinc/56/77/83/1064567783.db2.gz UUVUWBBCONWTEK-JGCGQSQUSA-N 0 0 453.564 4.791 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)C1 ZINC001359877864 1064568230 /nfs/dbraw/zinc/56/82/30/1064568230.db2.gz DWOOYOYBTCAISP-ATIYNZHBSA-N 0 0 458.622 4.963 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCCC2)C1 ZINC001359877722 1064568408 /nfs/dbraw/zinc/56/84/08/1064568408.db2.gz DDJPIJXKNCNQKG-OAHLLOKOSA-N 0 0 453.450 4.947 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001435174849 1064568879 /nfs/dbraw/zinc/56/88/79/1064568879.db2.gz YTBPBZNSIHDCJI-DRKIFQHWSA-N 0 0 459.011 4.913 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001435174852 1064568900 /nfs/dbraw/zinc/56/89/00/1064568900.db2.gz YTBPBZNSIHDCJI-FZEVHQGJSA-N 0 0 459.011 4.913 20 0 JJADRN O=C(NCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)c1c(F)cccc1F ZINC001435176072 1064569582 /nfs/dbraw/zinc/56/95/82/1064569582.db2.gz RBMGPNMDVMBLGJ-UHFFFAOYSA-N 0 0 454.439 4.732 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC001359878540 1064570233 /nfs/dbraw/zinc/57/02/33/1064570233.db2.gz UJHXENLSRRXIET-UHFFFAOYSA-N 0 0 451.361 4.646 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCOCC2)C1 ZINC001359878690 1064570246 /nfs/dbraw/zinc/57/02/46/1064570246.db2.gz LSLMLEIMGYHIDX-KRWDZBQOSA-N 0 0 495.437 4.651 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)C1 ZINC001359878756 1064570259 /nfs/dbraw/zinc/57/02/59/1064570259.db2.gz MTVWOLHIMJQYEY-OALUTQOASA-N 0 0 459.610 4.592 20 0 JJADRN CCCN(C(=O)/C(C)=C/c1ccc(Br)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001359878825 1064570873 /nfs/dbraw/zinc/57/08/73/1064570873.db2.gz WUVWQNHQHAFTNC-WUKNDPDISA-N 0 0 459.384 4.989 20 0 JJADRN COc1cccc(/C=C(\C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)n2nnnc2C)c1 ZINC001435178081 1064571065 /nfs/dbraw/zinc/57/10/65/1064571065.db2.gz MGYVCMLZZVHHIX-MFKUBSTISA-N 0 0 455.518 4.514 20 0 JJADRN COc1cccc(/C=C(/C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)n2nnnc2C)c1 ZINC001435178083 1064571127 /nfs/dbraw/zinc/57/11/27/1064571127.db2.gz MGYVCMLZZVHHIX-MYYYXRDXSA-N 0 0 455.518 4.514 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 ZINC001359879284 1064571875 /nfs/dbraw/zinc/57/18/75/1064571875.db2.gz SIWYVHDNDRGZFQ-SVFBPWRDSA-N 0 0 462.013 4.872 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001359879244 1064571907 /nfs/dbraw/zinc/57/19/07/1064571907.db2.gz RQSDKZQQKDRDKW-PMACEKPBSA-N 0 0 492.661 4.787 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1 ZINC001435180753 1064572186 /nfs/dbraw/zinc/57/21/86/1064572186.db2.gz MTIZCWBXFSEICK-PMERELPUSA-N 0 0 456.511 4.771 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001359879347 1064572267 /nfs/dbraw/zinc/57/22/67/1064572267.db2.gz UKDKSQSVTKSIIE-YLJYHZDGSA-N 0 0 495.487 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2COCCO2)C1 ZINC001359879402 1064572321 /nfs/dbraw/zinc/57/23/21/1064572321.db2.gz VGULWJWHXLKDME-CNNODRBYSA-N 0 0 463.022 4.749 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)[C@@H](C)c1ccc(I)cc1 ZINC001435181630 1064572755 /nfs/dbraw/zinc/57/27/55/1064572755.db2.gz WXBHWTYIHYQDGE-LBPRGKRZSA-N 0 0 458.137 4.782 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](F)c2ccc(Br)cc2)C1 ZINC001359879442 1064572940 /nfs/dbraw/zinc/57/29/40/1064572940.db2.gz VXVDRABOHAFCOK-QFBILLFUSA-N 0 0 480.426 4.762 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001435181921 1064573009 /nfs/dbraw/zinc/57/30/09/1064573009.db2.gz AXOHBIOOXQJWTD-OAHLLOKOSA-N 0 0 455.436 4.709 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC001435184013 1064573908 /nfs/dbraw/zinc/57/39/08/1064573908.db2.gz JOAIOOPLFZOVKY-GFCCVEGCSA-N 0 0 456.369 4.723 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2cccc3c2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001435183718 1064574093 /nfs/dbraw/zinc/57/40/93/1064574093.db2.gz KKJCAJXLBGHXOD-UHFFFAOYSA-N 0 0 454.448 4.960 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC001435185785 1064575171 /nfs/dbraw/zinc/57/51/71/1064575171.db2.gz QLKPXYYZORCFFL-BJKOFHAPSA-N 0 0 452.595 4.895 20 0 JJADRN Cc1cccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1Br ZINC001435185838 1064575249 /nfs/dbraw/zinc/57/52/49/1064575249.db2.gz ONFOSEKPKINNQC-UHFFFAOYSA-N 0 0 450.336 4.537 20 0 JJADRN CCn1nc(C)c(CC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C ZINC001435186339 1064575717 /nfs/dbraw/zinc/57/57/17/1064575717.db2.gz UXUUAKWHZBTULO-UHFFFAOYSA-N 0 0 458.484 4.650 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001359881682 1064575776 /nfs/dbraw/zinc/57/57/76/1064575776.db2.gz RJEOUCZLYYNSBO-WZONZLPQSA-N 0 0 459.516 4.663 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CC1 ZINC001359881897 1064576115 /nfs/dbraw/zinc/57/61/15/1064576115.db2.gz ZGWVQDTZNDXRSH-QFIPXVFZSA-N 0 0 450.510 4.579 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC001435187326 1064576743 /nfs/dbraw/zinc/57/67/43/1064576743.db2.gz VMEDZSXMAOIJQJ-IBGZPJMESA-N 0 0 459.612 4.690 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001435187025 1064576816 /nfs/dbraw/zinc/57/68/16/1064576816.db2.gz SAQSAUPHAAKGDQ-NRFANRHFSA-N 0 0 457.409 4.582 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001435187028 1064576867 /nfs/dbraw/zinc/57/68/67/1064576867.db2.gz SAQSAUPHAAKGDQ-OAQYLSRUSA-N 0 0 457.409 4.582 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)s2)cc1 ZINC001435188212 1064577324 /nfs/dbraw/zinc/57/73/24/1064577324.db2.gz BLMBPHOCJFYUHY-YLNNLZOCSA-N 0 0 471.623 4.951 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ncccc3OCC(F)(F)F)s2)cc1 ZINC001435188250 1064577372 /nfs/dbraw/zinc/57/73/72/1064577372.db2.gz CKIKBGZNPIWKGF-GFCCVEGCSA-N 0 0 451.470 4.954 20 0 JJADRN CCc1nc([C@H](C)NC(=O)c2cccn2-c2cccc(I)c2)cs1 ZINC001435188099 1064577383 /nfs/dbraw/zinc/57/73/83/1064577383.db2.gz ZKIBBDHCGYNXHV-LBPRGKRZSA-N 0 0 451.333 4.592 20 0 JJADRN CC(C)[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001359883407 1064577728 /nfs/dbraw/zinc/57/77/28/1064577728.db2.gz JWJZZQZLEYXRIV-XLIONFOSSA-N 0 0 453.023 4.690 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359883539 1064577926 /nfs/dbraw/zinc/57/79/26/1064577926.db2.gz IQOVTHNRZLHNTA-IFMALSPDSA-N 0 0 497.581 4.534 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(Br)cn2)C1 ZINC001359884490 1064578751 /nfs/dbraw/zinc/57/87/51/1064578751.db2.gz ONDZTKGZZLXBAA-LJQANCHMSA-N 0 0 489.437 4.930 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359884499 1064578827 /nfs/dbraw/zinc/57/88/27/1064578827.db2.gz OQPLLTRPTFOWRK-HZPDHXFCSA-N 0 0 457.566 4.763 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001435189830 1064579015 /nfs/dbraw/zinc/57/90/15/1064579015.db2.gz DSEIUNBFNNZQAW-NXCFDTQHSA-N 0 0 463.599 4.725 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)s2)cc1 ZINC001435189247 1064579102 /nfs/dbraw/zinc/57/91/02/1064579102.db2.gz QNRKMEHMXWXGEQ-AWEZNQCLSA-N 0 0 452.580 4.998 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001359885224 1064579727 /nfs/dbraw/zinc/57/97/27/1064579727.db2.gz XHMDFLALNZDEOD-KNQAVFIVSA-N 0 0 485.629 4.530 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190351 1064580014 /nfs/dbraw/zinc/58/00/14/1064580014.db2.gz HEQOYPIKAUVDIA-BBRMVZONSA-N 0 0 457.434 4.984 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)nn1-c1ccc(Cl)cc1 ZINC001435190727 1064580496 /nfs/dbraw/zinc/58/04/96/1064580496.db2.gz LYAMDJAGHMCHLO-MRXNPFEDSA-N 0 0 459.775 4.605 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)CSC(=S)N2CCC(C)CC2)c1 ZINC001435191084 1064580525 /nfs/dbraw/zinc/58/05/25/1064580525.db2.gz JYWUSRZDIHHPPY-UHFFFAOYSA-N 0 0 454.621 4.723 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001435191592 1064580552 /nfs/dbraw/zinc/58/05/52/1064580552.db2.gz QIWPKTGJBVHTOS-MRXNPFEDSA-N 0 0 457.759 4.568 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC001435191303 1064580639 /nfs/dbraw/zinc/58/06/39/1064580639.db2.gz LVHPDYJEMGUVJP-DEOSSOPVSA-N 0 0 456.546 4.790 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3C[C@@H](c4ccccc4C)OC[C@@H]3C)CCCC2)c1 ZINC001435192076 1064581056 /nfs/dbraw/zinc/58/10/56/1064581056.db2.gz PUQMWQVXVFWBBK-GMAHTHKFSA-N 0 0 455.620 4.687 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001359886105 1064581283 /nfs/dbraw/zinc/58/12/83/1064581283.db2.gz ITFXSRBFHHTQTL-CBJLPSGESA-N 0 0 499.675 4.552 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 ZINC001359885745 1064581394 /nfs/dbraw/zinc/58/13/94/1064581394.db2.gz FNZNKEOHKARHQA-RTWAWAEBSA-N 0 0 495.672 4.550 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1 ZINC001435192907 1064581410 /nfs/dbraw/zinc/58/14/10/1064581410.db2.gz TWVWFYLQUXDLFT-UHFFFAOYSA-N 0 0 451.517 4.949 20 0 JJADRN COc1ccc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c(Cl)c1 ZINC001435192330 1064581666 /nfs/dbraw/zinc/58/16/66/1064581666.db2.gz QBBXJCNDAJNCMC-HSZRJFAPSA-N 0 0 457.979 4.888 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(C)(C)O)C1 ZINC001359886156 1064581830 /nfs/dbraw/zinc/58/18/30/1064581830.db2.gz JREDKLDQLOEULS-QGZVFWFLSA-N 0 0 465.436 4.653 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)c(F)c2)C1 ZINC001359886385 1064582051 /nfs/dbraw/zinc/58/20/51/1064582051.db2.gz LMHDTPNQELOGEH-SFHVURJKSA-N 0 0 473.593 4.663 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001359886547 1064582280 /nfs/dbraw/zinc/58/22/80/1064582280.db2.gz NCAHUUCLJMTMJE-CJFMBICVSA-N 0 0 454.018 4.697 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@](C)=O)CCC2)C1 ZINC001359886519 1064582337 /nfs/dbraw/zinc/58/23/37/1064582337.db2.gz MMGTWQONXAFMFL-OKXSDPAFSA-N 0 0 465.063 4.684 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c1Cl ZINC001435193590 1064582485 /nfs/dbraw/zinc/58/24/85/1064582485.db2.gz WGKABIKTNWSTSG-PBHICJAKSA-N 0 0 456.391 4.698 20 0 JJADRN COc1cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)cc2cc1OC ZINC001435193583 1064582564 /nfs/dbraw/zinc/58/25/64/1064582564.db2.gz YMKVQWNPDJVAHI-SFHVURJKSA-N 0 0 455.352 4.628 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001435193878 1064582632 /nfs/dbraw/zinc/58/26/32/1064582632.db2.gz VNFMZFSXQJTIEP-RBUKOAKNSA-N 0 0 455.555 4.654 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359886929 1064582967 /nfs/dbraw/zinc/58/29/67/1064582967.db2.gz QRQYUPYFAWWAOF-FQEVSTJZSA-N 0 0 471.621 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001359887030 1064583084 /nfs/dbraw/zinc/58/30/84/1064583084.db2.gz RTNATDMPTPSRAM-IBGZPJMESA-N 0 0 487.620 4.736 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435194279 1064583051 /nfs/dbraw/zinc/58/30/51/1064583051.db2.gz XNLMNSRANSHHDW-IRLDBZIGSA-N 0 0 451.567 4.752 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1c(F)ccc(C)c1Br ZINC001435194309 1064583119 /nfs/dbraw/zinc/58/31/19/1064583119.db2.gz JHMQSSULYGWYLD-UHFFFAOYSA-N 0 0 450.308 4.949 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC001435195313 1064583138 /nfs/dbraw/zinc/58/31/38/1064583138.db2.gz HZUGVCPMRSBGSR-CJFMBICVSA-N 0 0 451.588 4.688 20 0 JJADRN O=C(O[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(Cn2cncn2)c1 ZINC001359887344 1064583418 /nfs/dbraw/zinc/58/34/18/1064583418.db2.gz MIBYEPKHUWZRJL-QGZVFWFLSA-N 0 0 454.246 4.939 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2nn(C)c(C)c2Br)c1 ZINC001435195200 1064583593 /nfs/dbraw/zinc/58/35/93/1064583593.db2.gz NVOBXZOLHUMLMA-FQEVSTJZSA-N 0 0 456.384 4.830 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)C1 ZINC001359887451 1064584084 /nfs/dbraw/zinc/58/40/84/1064584084.db2.gz VVRKAUSZURKQCS-IDISGSTGSA-N 0 0 470.658 4.833 20 0 JJADRN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC001435195915 1064584195 /nfs/dbraw/zinc/58/41/95/1064584195.db2.gz PPLJQGPCYUZOOB-ROUUACIJSA-N 0 0 453.633 4.844 20 0 JJADRN Cc1ccc(N2CC[C@H](NC(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC001435196335 1064584653 /nfs/dbraw/zinc/58/46/53/1064584653.db2.gz RZJWIBKXAOHUQD-FQEVSTJZSA-N 0 0 455.345 4.976 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCOc2ccccc2C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435196435 1064584702 /nfs/dbraw/zinc/58/47/02/1064584702.db2.gz NKBAKKCBTOGDMF-SANMLTNESA-N 0 0 451.588 4.690 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001359888306 1064585017 /nfs/dbraw/zinc/58/50/17/1064585017.db2.gz AGEYRBPXRNXDDA-RUZDIDTESA-N 0 0 476.735 4.665 20 0 JJADRN COCCOCc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001359888290 1064585048 /nfs/dbraw/zinc/58/50/48/1064585048.db2.gz ZVBXBUUCCULLIW-UHFFFAOYSA-N 0 0 459.546 4.890 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001435196656 1064585312 /nfs/dbraw/zinc/58/53/12/1064585312.db2.gz TVQOBZLYELUJQV-MRXNPFEDSA-N 0 0 453.461 4.798 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cn2)cc1 ZINC001435196731 1064585331 /nfs/dbraw/zinc/58/53/31/1064585331.db2.gz BEPVQVLYZAKQJZ-UHFFFAOYSA-N 0 0 452.467 4.802 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359888564 1064585340 /nfs/dbraw/zinc/58/53/40/1064585340.db2.gz FQAOQAWEKKLJRO-DYESRHJHSA-N 0 0 456.557 4.646 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1noc(C)n1 ZINC001435197192 1064585385 /nfs/dbraw/zinc/58/53/85/1064585385.db2.gz DPTPBSKUFGWCDM-QGZVFWFLSA-N 0 0 456.713 4.631 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)n2)cc1F ZINC001435197862 1064585848 /nfs/dbraw/zinc/58/58/48/1064585848.db2.gz GMGQTVMSNKUDIC-UHFFFAOYSA-N 0 0 459.403 4.960 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC[C@H]1C ZINC001359888801 1064586600 /nfs/dbraw/zinc/58/66/00/1064586600.db2.gz INLWQCSBGUNBTO-ZHRRBRCNSA-N 0 0 454.587 4.675 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C(F)(F)c1c(F)cccc1F ZINC001435199291 1064586888 /nfs/dbraw/zinc/58/68/88/1064586888.db2.gz PCEVMIKVJCKDGL-UHFFFAOYSA-N 0 0 456.237 4.897 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001359889048 1064586904 /nfs/dbraw/zinc/58/69/04/1064586904.db2.gz KUGVKYKTYLPEII-DENIHFKCSA-N 0 0 465.436 4.510 20 0 JJADRN Cc1cc(Br)oc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001435200094 1064587155 /nfs/dbraw/zinc/58/71/55/1064587155.db2.gz VXNMBAKKFDZVFQ-UHFFFAOYSA-N 0 0 453.134 4.805 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359889396 1064587894 /nfs/dbraw/zinc/58/78/94/1064587894.db2.gz NGWLEKFJGHYQEX-QFIPXVFZSA-N 0 0 487.998 4.860 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001359889394 1064587975 /nfs/dbraw/zinc/58/79/75/1064587975.db2.gz NGWLEKFJGHYQEX-JOCHJYFZSA-N 0 0 487.998 4.860 20 0 JJADRN COc1ccc(-n2c3ccccc3nc2NC(=O)Cc2ccc(OC)c(OC)c2Cl)cc1 ZINC001435201268 1064588204 /nfs/dbraw/zinc/58/82/04/1064588204.db2.gz OHTAEBWNVYQFFZ-UHFFFAOYSA-N 0 0 451.910 4.886 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC001435200867 1064588266 /nfs/dbraw/zinc/58/82/66/1064588266.db2.gz XMZVLZQROVYYDG-UHFFFAOYSA-N 0 0 458.469 4.511 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)OC1CCCC1 ZINC001359889945 1064588296 /nfs/dbraw/zinc/58/82/96/1064588296.db2.gz QDCYAAXSHAFMQV-HXUWFJFHSA-N 0 0 454.413 4.533 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 ZINC001435201357 1064588550 /nfs/dbraw/zinc/58/85/50/1064588550.db2.gz KVFCRABOZDGRNB-UHFFFAOYSA-N 0 0 452.551 4.706 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001359890070 1064588772 /nfs/dbraw/zinc/58/87/72/1064588772.db2.gz RHYIWLYKVXEMBE-DEOSSOPVSA-N 0 0 473.980 4.588 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001359890062 1064588783 /nfs/dbraw/zinc/58/87/83/1064588783.db2.gz RCGPUYCOSYFDJX-FDDCHVKYSA-N 0 0 492.455 4.872 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001359890307 1064589248 /nfs/dbraw/zinc/58/92/48/1064589248.db2.gz RRFNMKJYYAZIGA-QYWGDWMGSA-N 0 0 452.441 4.848 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359890115 1064589263 /nfs/dbraw/zinc/58/92/63/1064589263.db2.gz HKAVPVZRGWEASC-QHCPKHFHSA-N 0 0 474.447 4.870 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359890114 1064589380 /nfs/dbraw/zinc/58/93/80/1064589380.db2.gz HKAVPVZRGWEASC-HSZRJFAPSA-N 0 0 474.447 4.870 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(C)CC1 ZINC001359890210 1064589410 /nfs/dbraw/zinc/58/94/10/1064589410.db2.gz IWXAFXXJKYMZLC-WGJJQBRPSA-N 0 0 456.631 4.918 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1I ZINC001435203478 1064589747 /nfs/dbraw/zinc/58/97/47/1064589747.db2.gz BPPANLWRGWKCJV-UHFFFAOYSA-N 0 0 451.304 4.657 20 0 JJADRN O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC001435203674 1064590081 /nfs/dbraw/zinc/59/00/81/1064590081.db2.gz FWBLYXKQAOZDME-UHFFFAOYSA-N 0 0 456.951 4.711 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359890653 1064590363 /nfs/dbraw/zinc/59/03/63/1064590363.db2.gz UVJBSXZDVFATHH-WYEJZRMESA-N 0 0 462.610 4.748 20 0 JJADRN CN(CC(=O)N(CC(F)(F)F)c1ccc(Br)cc1)C(=O)OCc1ccccc1 ZINC001435206443 1064591778 /nfs/dbraw/zinc/59/17/78/1064591778.db2.gz MLYOWXIFLFBBMO-UHFFFAOYSA-N 0 0 459.262 4.613 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001359891469 1064591975 /nfs/dbraw/zinc/59/19/75/1064591975.db2.gz RSGWIQGBVYTERV-XUZZJYLKSA-N 0 0 457.022 4.861 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001359891444 1064592043 /nfs/dbraw/zinc/59/20/43/1064592043.db2.gz RHZZLYFEBKIEGS-KOSHJBKYSA-N 0 0 457.022 4.513 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)n1C ZINC001435206392 1064592090 /nfs/dbraw/zinc/59/20/90/1064592090.db2.gz JKZVLBZHOKAESB-UHFFFAOYSA-N 0 0 451.324 4.973 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N(CC(F)(F)F)c3ccc(Br)cc3)cn2)n1 ZINC001435207952 1064592736 /nfs/dbraw/zinc/59/27/36/1064592736.db2.gz XKAUVUVJUYEYSU-UHFFFAOYSA-N 0 0 453.262 4.856 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1C ZINC001435207983 1064592759 /nfs/dbraw/zinc/59/27/59/1064592759.db2.gz XVBREHAQEPJSEL-UHFFFAOYSA-N 0 0 453.340 4.852 20 0 JJADRN CCc1ccc([C@@H](COC)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)o1 ZINC001435209015 1064592976 /nfs/dbraw/zinc/59/29/76/1064592976.db2.gz UFDPFVJFZGXMOA-HNAYVOBHSA-N 0 0 453.366 4.505 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001359891700 1064593302 /nfs/dbraw/zinc/59/33/02/1064593302.db2.gz WGAIUHFTFQEKBA-JIPXPUAJSA-N 0 0 469.674 4.509 20 0 JJADRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC001435211686 1064593728 /nfs/dbraw/zinc/59/37/28/1064593728.db2.gz DNIUMTHFBAXNIU-MCFFVMPBSA-N 0 0 450.551 4.513 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc4cccc(Cl)c4s3)CC2)c(C)c1 ZINC001435211383 1064593787 /nfs/dbraw/zinc/59/37/87/1064593787.db2.gz GKHVJRMWLJTPMG-QGZVFWFLSA-N 0 0 456.995 4.923 20 0 JJADRN CN(C(=O)Cc1c(Cl)cccc1Br)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001359892561 1064593755 /nfs/dbraw/zinc/59/37/55/1064593755.db2.gz OVRHSSYZZNSGHW-KRWDZBQOSA-N 0 0 456.167 4.562 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359891902 1064593770 /nfs/dbraw/zinc/59/37/70/1064593770.db2.gz YZTLQWXUMKMKHD-YIXXDRMTSA-N 0 0 467.658 4.875 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359892749 1064594239 /nfs/dbraw/zinc/59/42/39/1064594239.db2.gz AMCMVRBQMAZZPY-RXFWQSSRSA-N 0 0 461.695 4.500 20 0 JJADRN O=C(N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001435213736 1064594944 /nfs/dbraw/zinc/59/49/44/1064594944.db2.gz RXRSPBMKINVBRY-UHFFFAOYSA-N 0 0 451.781 4.940 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001435213837 1064595255 /nfs/dbraw/zinc/59/52/55/1064595255.db2.gz LUFRLWGONIURAR-SBUREZEXSA-N 0 0 457.979 4.820 20 0 JJADRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001359894501 1064595564 /nfs/dbraw/zinc/59/55/64/1064595564.db2.gz YTSOHXHSEGIGQI-URJCDIQJSA-N 0 0 455.451 4.962 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC001435214233 1064595646 /nfs/dbraw/zinc/59/56/46/1064595646.db2.gz VEEOUWFVWLCOCL-CYBMUJFWSA-N 0 0 455.755 4.794 20 0 JJADRN CCc1c(C(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cnn1CC(C)C ZINC001435214622 1064595691 /nfs/dbraw/zinc/59/56/91/1064595691.db2.gz BRAWLFKHPFNTIY-VXKWHMMOSA-N 0 0 454.615 4.753 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC1(C)C ZINC001359894832 1064596086 /nfs/dbraw/zinc/59/60/86/1064596086.db2.gz RRHPFVPYZRLSCH-HHHXNRCGSA-N 0 0 480.657 4.802 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001359894748 1064596103 /nfs/dbraw/zinc/59/61/03/1064596103.db2.gz QURGVZATZWBECV-FBLLAGFSSA-N 0 0 477.049 4.938 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359894772 1064596240 /nfs/dbraw/zinc/59/62/40/1064596240.db2.gz RBDBVBSHHYHSFD-XFAGBWLFSA-N 0 0 450.574 4.835 20 0 JJADRN CCCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001435215190 1064596228 /nfs/dbraw/zinc/59/62/28/1064596228.db2.gz UJANOUNLHPFDAR-HJOGWXRNSA-N 0 0 450.579 4.685 20 0 JJADRN CCCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001435215193 1064596280 /nfs/dbraw/zinc/59/62/80/1064596280.db2.gz UJANOUNLHPFDAR-VXNXHJTFSA-N 0 0 450.579 4.685 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 ZINC001435215812 1064596588 /nfs/dbraw/zinc/59/65/88/1064596588.db2.gz HFVBQPSGOSGGLX-UHFFFAOYSA-N 0 0 455.488 4.670 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 ZINC001359895145 1064596570 /nfs/dbraw/zinc/59/65/70/1064596570.db2.gz XXLONKFZYLTCMN-PLXFJCCSSA-N 0 0 456.631 4.502 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 ZINC001359895144 1064596826 /nfs/dbraw/zinc/59/68/26/1064596826.db2.gz XXLONKFZYLTCMN-FXSPECFOSA-N 0 0 456.631 4.502 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217208 1064597088 /nfs/dbraw/zinc/59/70/88/1064597088.db2.gz PDBXSNHTZDEWLW-ARNLJNQMSA-N 0 0 450.579 4.727 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001359895494 1064597292 /nfs/dbraw/zinc/59/72/92/1064597292.db2.gz DJDSLTWYVOWNFY-AREMUKBSSA-N 0 0 455.647 4.519 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001359895915 1064597646 /nfs/dbraw/zinc/59/76/46/1064597646.db2.gz KFCRYSMUMWXTJO-QHCPKHFHSA-N 0 0 461.601 4.857 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001359895831 1064597744 /nfs/dbraw/zinc/59/77/44/1064597744.db2.gz IVPVTHQXTGLKJB-KJWPAHLWSA-N 0 0 461.050 4.715 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001359895830 1064597883 /nfs/dbraw/zinc/59/78/83/1064597883.db2.gz IVPVTHQXTGLKJB-HOKHCIIBSA-N 0 0 461.050 4.715 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001359896077 1064598237 /nfs/dbraw/zinc/59/82/37/1064598237.db2.gz NBLXUOHKTHJILC-QFQXNSOFSA-N 0 0 451.590 4.584 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001359895980 1064598255 /nfs/dbraw/zinc/59/82/55/1064598255.db2.gz LOPGJZPLVPYOSG-RUZDIDTESA-N 0 0 463.617 4.659 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1cc(OC)c(OC)cc1C ZINC001435218101 1064598357 /nfs/dbraw/zinc/59/83/57/1064598357.db2.gz VUGAKZKDECQDJC-RTWAWAEBSA-N 0 0 454.567 4.664 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1C(F)(F)F ZINC001435219185 1064598652 /nfs/dbraw/zinc/59/86/52/1064598652.db2.gz BRFMNRGVEVMBFF-QBFSEMIESA-N 0 0 458.477 4.963 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359896595 1064598737 /nfs/dbraw/zinc/59/87/37/1064598737.db2.gz QUMAABKPVMIKCQ-DFBJGRDBSA-N 0 0 465.683 4.547 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001435219639 1064599300 /nfs/dbraw/zinc/59/93/00/1064599300.db2.gz DWMOGRRZUZBVSC-MRXNPFEDSA-N 0 0 450.576 4.740 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001359896622 1064599442 /nfs/dbraw/zinc/59/94/42/1064599442.db2.gz RBFSERSTUXPZRJ-XMMPIXPASA-N 0 0 461.050 4.716 20 0 JJADRN CC[C@H](CNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C)Cc1cccc(Br)c1 ZINC001435219841 1064599703 /nfs/dbraw/zinc/59/97/03/1064599703.db2.gz QIUUNZUSQZAHNS-PGRDOPGGSA-N 0 0 459.428 4.897 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)Cc1cccc(Br)c1 ZINC001435219840 1064599870 /nfs/dbraw/zinc/59/98/70/1064599870.db2.gz QIUUNZUSQZAHNS-GCJKJVERSA-N 0 0 459.428 4.897 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc2cnccc2c1 ZINC001359897352 1064599963 /nfs/dbraw/zinc/59/99/63/1064599963.db2.gz XWWSKNBKGNDXAD-HHHXNRCGSA-N 0 0 458.610 4.636 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c1-c1ccccc1 ZINC001435220379 1064600617 /nfs/dbraw/zinc/60/06/17/1064600617.db2.gz IYPQIHIJKVNRHX-UHFFFAOYSA-N 0 0 458.559 4.599 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC001435220398 1064600651 /nfs/dbraw/zinc/60/06/51/1064600651.db2.gz GMFMEJLMSKYNIZ-UHFFFAOYSA-N 0 0 458.605 4.608 20 0 JJADRN CCCc1c(C(=O)N2C[C@H](C)Cc3ccccc32)nnn1Cc1cccc(Br)c1 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ZINC001435231791 1064611386 /nfs/dbraw/zinc/61/13/86/1064611386.db2.gz WGNAWFCRJIFQON-UHFFFAOYSA-N 0 0 457.168 4.734 20 0 JJADRN CC(C)CCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001359901852 1064612535 /nfs/dbraw/zinc/61/25/35/1064612535.db2.gz DFUFRMYVZVTRGP-UHFFFAOYSA-N 0 0 476.463 4.839 20 0 JJADRN CCC[C@H](C)N(C(=O)c1ccn(CCc2ccccc2)n1)c1nc(C)c(C(=O)OCC)s1 ZINC001435232358 1064612502 /nfs/dbraw/zinc/61/25/02/1064612502.db2.gz PSDHHJOLUCEIDQ-KRWDZBQOSA-N 0 0 454.596 4.903 20 0 JJADRN C[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1-c1ccc(Cl)cc1 ZINC001435232523 1064612578 /nfs/dbraw/zinc/61/25/78/1064612578.db2.gz KOBVDJGUQGLDMO-JHZJELJQSA-N 0 0 453.970 4.685 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)no1 ZINC001435232570 1064612890 /nfs/dbraw/zinc/61/28/90/1064612890.db2.gz DSGPPVWTWWIHGP-IBGZPJMESA-N 0 0 452.942 4.514 20 0 JJADRN CC(=O)N[C@](C)(C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)C ZINC001435233150 1064614084 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Cc1cccc(COc2cccc(NC(=O)[C@]3(CNC(=O)OC(C)(C)C)CCCOC3)c2)c1 ZINC001435237487 1064617287 /nfs/dbraw/zinc/61/72/87/1064617287.db2.gz OFOZRJDLXOWDSK-SANMLTNESA-N 0 0 454.567 4.834 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)CCc2cncc3ccccc32)c1 ZINC001435236862 1064617522 /nfs/dbraw/zinc/61/75/22/1064617522.db2.gz RHBLZBNHMQNLEZ-UHFFFAOYSA-N 0 0 451.592 4.759 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1OC(F)F ZINC001435238669 1064618839 /nfs/dbraw/zinc/61/88/39/1064618839.db2.gz SEGQRRBICMCFPE-CYBMUJFWSA-N 0 0 453.283 4.659 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1OC(F)F ZINC001435238670 1064618881 /nfs/dbraw/zinc/61/88/81/1064618881.db2.gz SEGQRRBICMCFPE-ZDUSSCGKSA-N 0 0 453.283 4.659 20 0 JJADRN CC(C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001359904945 1064619640 /nfs/dbraw/zinc/61/96/40/1064619640.db2.gz DERIOYFPQOAPQQ-UHFFFAOYSA-N 0 0 476.597 4.589 20 0 JJADRN CC1CCN(c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)c2)CC1 ZINC001435239580 1064619649 /nfs/dbraw/zinc/61/96/49/1064619649.db2.gz DOPXSLDACWMKHD-KRWDZBQOSA-N 0 0 456.384 4.677 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)c2ccccc2)cc1 ZINC001435240937 1064619714 /nfs/dbraw/zinc/61/97/14/1064619714.db2.gz MJVKNQCAEKGKEW-JOCHJYFZSA-N 0 0 450.579 4.627 20 0 JJADRN O=C(c1cc2occc2s1)N1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC001435240909 1064619753 /nfs/dbraw/zinc/61/97/53/1064619753.db2.gz DQSBEMWLDRGJAD-UHFFFAOYSA-N 0 0 453.745 4.508 20 0 JJADRN CC(C)CCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1csc(Br)c1 ZINC001359905118 1064620047 /nfs/dbraw/zinc/62/00/47/1064620047.db2.gz JMNZKNJBHVVWPH-UHFFFAOYSA-N 0 0 480.432 4.902 20 0 JJADRN CC(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359905050 1064620124 /nfs/dbraw/zinc/62/01/24/1064620124.db2.gz HTJAITVSHSDNMU-JOCHJYFZSA-N 0 0 477.657 4.698 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435241268 1064620596 /nfs/dbraw/zinc/62/05/96/1064620596.db2.gz ABSWDJYANHYSEG-YKSBVNFPSA-N 0 0 453.464 4.953 20 0 JJADRN O=C(NCc1ccccc1OCC1CC1)c1c(Cl)ccc(I)c1F ZINC001435241165 1064620636 /nfs/dbraw/zinc/62/06/36/1064620636.db2.gz PCJGBFBTMDGBKB-UHFFFAOYSA-N 0 0 459.686 4.803 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001359905512 1064620976 /nfs/dbraw/zinc/62/09/76/1064620976.db2.gz UAZJHQZNJCKNHC-QFIPXVFZSA-N 0 0 472.609 4.886 20 0 JJADRN CC(C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001359905596 1064621022 /nfs/dbraw/zinc/62/10/22/1064621022.db2.gz WFUBXQHKQOITJW-HXUWFJFHSA-N 0 0 450.631 4.851 20 0 JJADRN CC(C)CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(CCCO)CC1 ZINC001359905541 1064621057 /nfs/dbraw/zinc/62/10/57/1064621057.db2.gz UQSXWMCENQAULA-UHFFFAOYSA-N 0 0 480.657 4.661 20 0 JJADRN CC(C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359905636 1064621070 /nfs/dbraw/zinc/62/10/70/1064621070.db2.gz XPZTVEYMMMNFJL-SFHVURJKSA-N 0 0 495.628 4.524 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c(OC)c1 ZINC001359906342 1064621508 /nfs/dbraw/zinc/62/15/08/1064621508.db2.gz BJPZNQDGUBNTRV-SOFGYWHQSA-N 0 0 456.539 4.649 20 0 JJADRN COC(=O)Nc1cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc(C(F)(F)F)c1 ZINC001359906605 1064621667 /nfs/dbraw/zinc/62/16/67/1064621667.db2.gz GKCWBNFDPWDSHR-UHFFFAOYSA-N 0 0 455.776 4.944 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC001435243443 1064622209 /nfs/dbraw/zinc/62/22/09/1064622209.db2.gz NPNQBMAQEPRVSE-AWEZNQCLSA-N 0 0 453.892 4.647 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccc(F)c(Br)c2)c1 ZINC001359907089 1064622496 /nfs/dbraw/zinc/62/24/96/1064622496.db2.gz UMXTZCXHXXCFJR-UHFFFAOYSA-N 0 0 453.308 4.744 20 0 JJADRN CC(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001359907392 1064623025 /nfs/dbraw/zinc/62/30/25/1064623025.db2.gz DPIKGMVKVZRXIW-NRFANRHFSA-N 0 0 474.049 4.614 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001359907393 1064623056 /nfs/dbraw/zinc/62/30/56/1064623056.db2.gz DPIKGMVKVZRXIW-OAQYLSRUSA-N 0 0 474.049 4.614 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001435245052 1064623580 /nfs/dbraw/zinc/62/35/80/1064623580.db2.gz MURCCPMMPANWAS-QGZVFWFLSA-N 0 0 450.348 4.769 20 0 JJADRN CC(C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1Cc2ccccc2C1 ZINC001359907550 1064623752 /nfs/dbraw/zinc/62/37/52/1064623752.db2.gz HWKFQYXOBFBVCI-HSZRJFAPSA-N 0 0 483.657 4.626 20 0 JJADRN CC(C)Sc1ccc(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001435247686 1064624963 /nfs/dbraw/zinc/62/49/63/1064624963.db2.gz OPKZRESPKNPTAW-UHFFFAOYSA-N 0 0 456.589 4.708 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1Cl ZINC001435247247 1064625105 /nfs/dbraw/zinc/62/51/05/1064625105.db2.gz ILSQNBFXZSGHSA-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c2cc(F)ccc21 ZINC001435247522 1064625149 /nfs/dbraw/zinc/62/51/49/1064625149.db2.gz KVUPAXSHWCNCDV-IBGZPJMESA-N 0 0 450.341 4.610 20 0 JJADRN CC(C)CCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359908568 1064625191 /nfs/dbraw/zinc/62/51/91/1064625191.db2.gz HPICNJZLHNTZRF-HXUWFJFHSA-N 0 0 470.662 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCCO[C@@H](c3ccccc3)C2)(c2ccccc2)C1 ZINC001359908631 1064625219 /nfs/dbraw/zinc/62/52/19/1064625219.db2.gz AFLNUKDSMBPOOZ-KCWPFWIISA-N 0 0 450.579 4.555 20 0 JJADRN CC(C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359908435 1064625289 /nfs/dbraw/zinc/62/52/89/1064625289.db2.gz ZAYZXSBMZVTAPN-KZNAEPCWSA-N 0 0 489.583 4.657 20 0 JJADRN CC(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001359908924 1064626099 /nfs/dbraw/zinc/62/60/99/1064626099.db2.gz NYKJWUHGYMUWSC-FQEVSTJZSA-N 0 0 456.566 4.529 20 0 JJADRN CC(C)CCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359909114 1064626207 /nfs/dbraw/zinc/62/62/07/1064626207.db2.gz RPNFOFUZUCILOB-UHFFFAOYSA-N 0 0 452.521 4.684 20 0 JJADRN CCCN(C(=O)CCn1cc(Br)cn1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435249918 1064626617 /nfs/dbraw/zinc/62/66/17/1064626617.db2.gz JMZBLODMCAMTSV-QFIPXVFZSA-N 0 0 459.363 4.906 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)CN1CCc2ccccc2C1=O)c1ccccc1C(=O)OC ZINC001435251384 1064627456 /nfs/dbraw/zinc/62/74/56/1064627456.db2.gz DOMPIGKSWKSFSW-FQEVSTJZSA-N 0 0 450.579 4.864 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C1CCCCC1 ZINC001359910696 1064627663 /nfs/dbraw/zinc/62/76/63/1064627663.db2.gz ASJKVXMOHIBVFA-LJQANCHMSA-N 0 0 459.610 4.831 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)cc2)c1C ZINC001435251598 1064628330 /nfs/dbraw/zinc/62/83/30/1064628330.db2.gz DGWJOWIFACIZOT-CVDCTZTESA-N 0 0 459.590 4.921 20 0 JJADRN CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001359911806 1064629178 /nfs/dbraw/zinc/62/91/78/1064629178.db2.gz FVTXHODMDHIMNS-UHFFFAOYSA-N 0 0 456.484 4.780 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC001435252606 1064629237 /nfs/dbraw/zinc/62/92/37/1064629237.db2.gz BACJHZNFMBNPHZ-KRWDZBQOSA-N 0 0 455.027 4.712 20 0 JJADRN CC(C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001359912250 1064630021 /nfs/dbraw/zinc/63/00/21/1064630021.db2.gz QMMQZVKFMFXADA-FQEVSTJZSA-N 0 0 475.062 4.762 20 0 JJADRN CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)ccc1Br ZINC001435253426 1064630314 /nfs/dbraw/zinc/63/03/14/1064630314.db2.gz NAZUMEAICZXHIE-FQEVSTJZSA-N 0 0 457.368 4.580 20 0 JJADRN CC(C)CCCn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359912277 1064630625 /nfs/dbraw/zinc/63/06/25/1064630625.db2.gz RRPYFPXXOZCYOV-SANMLTNESA-N 0 0 454.615 4.754 20 0 JJADRN CC(C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001359912259 1064630666 /nfs/dbraw/zinc/63/06/66/1064630666.db2.gz RFLIFKBDWFGFFH-UHFFFAOYSA-N 0 0 463.617 4.978 20 0 JJADRN CC(C)CCCn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359912397 1064630695 /nfs/dbraw/zinc/63/06/95/1064630695.db2.gz WLVFXXFJQQPLPG-RCZVLFRGSA-N 0 0 478.584 4.611 20 0 JJADRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001359912736 1064631339 /nfs/dbraw/zinc/63/13/39/1064631339.db2.gz ISTGQSXZZPXQQA-MRXNPFEDSA-N 0 0 457.452 4.969 20 0 JJADRN CC(C)(C)c1noc(COc2ccc(OC(=O)C3=Cc4ccccc4O[C@@H]3C(F)F)cc2)n1 ZINC001435254495 1064631682 /nfs/dbraw/zinc/63/16/82/1064631682.db2.gz SUGPYWRWBKKDQO-FQEVSTJZSA-N 0 0 456.445 4.961 20 0 JJADRN COc1cc(F)c(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001359913318 1064632382 /nfs/dbraw/zinc/63/23/82/1064632382.db2.gz UQUXWVJZQDDKGY-MRXNPFEDSA-N 0 0 450.551 4.989 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001435255725 1064632553 /nfs/dbraw/zinc/63/25/53/1064632553.db2.gz UCFSSSIMQRKNBJ-UHFFFAOYSA-N 0 0 453.174 4.990 20 0 JJADRN CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001359914209 1064633081 /nfs/dbraw/zinc/63/30/81/1064633081.db2.gz UDGRHGOTGRVBEV-UHFFFAOYSA-N 0 0 454.573 4.687 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC001435256564 1064633228 /nfs/dbraw/zinc/63/32/28/1064633228.db2.gz PGCPEEMXMQWDIE-UHFFFAOYSA-N 0 0 456.424 4.567 20 0 JJADRN O=C(OCc1ccc(Br)cc1Cl)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001435256777 1064633277 /nfs/dbraw/zinc/63/32/77/1064633277.db2.gz AFYOFNGVLJPTKU-UHFFFAOYSA-N 0 0 457.651 4.753 20 0 JJADRN CCCCCC[C@@H](C)N(C(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccccc1C(=O)OC ZINC001435256405 1064633336 /nfs/dbraw/zinc/63/33/36/1064633336.db2.gz ZFBDBJHJSHSAIT-GOSISDBHSA-N 0 0 452.551 4.601 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(Cc2ccccc2)c1 ZINC001359914481 1064634005 /nfs/dbraw/zinc/63/40/05/1064634005.db2.gz IZYOKIOKOLJQBX-UHFFFAOYSA-N 0 0 496.457 4.822 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCOCC1 ZINC001359914477 1064634033 /nfs/dbraw/zinc/63/40/33/1064634033.db2.gz IYBXAVKMBNHBTH-LJQANCHMSA-N 0 0 459.704 4.725 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(OCC(F)(F)F)c(C)c3)CCCC2)cc1 ZINC001435257981 1064634207 /nfs/dbraw/zinc/63/42/07/1064634207.db2.gz ZILOYCRMZIUDGM-UHFFFAOYSA-N 0 0 455.498 4.970 20 0 JJADRN COC(=O)CN(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C)n1 ZINC001435260187 1064636651 /nfs/dbraw/zinc/63/66/51/1064636651.db2.gz KLWWVGIKKBCEGK-HNNXBMFYSA-N 0 0 459.955 4.526 20 0 JJADRN COc1ccc(CNC(=O)c2cc(Cl)c(F)cc2Br)cc1Br ZINC001359916277 1064637518 /nfs/dbraw/zinc/63/75/18/1064637518.db2.gz PSOUMLHGWGDXMX-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN COc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2F)cc1Br ZINC001359915890 1064637490 /nfs/dbraw/zinc/63/74/90/1064637490.db2.gz BWNJQLCDBNRINS-UHFFFAOYSA-N 0 0 451.517 4.943 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001359916910 1064638155 /nfs/dbraw/zinc/63/81/55/1064638155.db2.gz LVCZJPGCHLWMFR-UHFFFAOYSA-N 0 0 453.205 4.834 20 0 JJADRN COCc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001359916437 1064638177 /nfs/dbraw/zinc/63/81/77/1064638177.db2.gz AVHKDDPEHVNTFI-IBGZPJMESA-N 0 0 459.612 4.640 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435262351 1064638233 /nfs/dbraw/zinc/63/82/33/1064638233.db2.gz VYYSRZFTKGDWEM-IEBWSBKVSA-N 0 0 453.174 4.609 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001435262304 1064638328 /nfs/dbraw/zinc/63/83/28/1064638328.db2.gz ATUVVNBFLMVGNG-UHFFFAOYSA-N 0 0 452.765 4.831 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)C[C@@H]1COc2ccccc2O1)C1CC1 ZINC001435262337 1064638409 /nfs/dbraw/zinc/63/84/09/1064638409.db2.gz AWTPIELBVLOUJZ-HXUWFJFHSA-N 0 0 452.551 4.745 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccccc1C(C)C ZINC001359917404 1064639494 /nfs/dbraw/zinc/63/94/94/1064639494.db2.gz AWPGDLHAENUYLX-UHFFFAOYSA-N 0 0 453.587 4.691 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)c(Cl)c1 ZINC001435263277 1064639825 /nfs/dbraw/zinc/63/98/25/1064639825.db2.gz BHRWGIUODBBDFL-FQEVSTJZSA-N 0 0 457.014 4.843 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)c3cc4ccccc4o3)CC2)c(Cl)c1 ZINC001435263321 1064639831 /nfs/dbraw/zinc/63/98/31/1064639831.db2.gz BXRWGNBIXFEYJO-MSOLQXFVSA-N 0 0 454.954 4.636 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359918140 1064641037 /nfs/dbraw/zinc/64/10/37/1064641037.db2.gz ATOZYDUWJCOQPU-RXVVDRJESA-N 0 0 473.618 4.528 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359918141 1064641049 /nfs/dbraw/zinc/64/10/49/1064641049.db2.gz ATOZYDUWJCOQPU-WIYYLYMNSA-N 0 0 473.618 4.528 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1csc(CCc2ccccc2)n1 ZINC001359918599 1064641718 /nfs/dbraw/zinc/64/17/18/1064641718.db2.gz LCRPOIFOCZOWGM-NRFANRHFSA-N 0 0 453.656 4.944 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435265139 1064642529 /nfs/dbraw/zinc/64/25/29/1064642529.db2.gz JCURNRMMSRJJFO-HWOXTHGCSA-N 0 0 452.860 4.954 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNc1ccccn1 ZINC001359919213 1064643355 /nfs/dbraw/zinc/64/33/55/1064643355.db2.gz ZMFZDGSELVRPPV-NRFANRHFSA-N 0 0 485.677 4.772 20 0 JJADRN Cc1ncc(Br)c(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)n1 ZINC001435266484 1064644126 /nfs/dbraw/zinc/64/41/26/1064644126.db2.gz QPLMQEFRQLNFRQ-UHFFFAOYSA-N 0 0 453.178 4.552 20 0 JJADRN CCCCOCCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(Br)cc1 ZINC001435266793 1064644193 /nfs/dbraw/zinc/64/41/93/1064644193.db2.gz FLJJZLCEFSCFLB-KRWDZBQOSA-N 0 0 450.348 4.989 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435266155 1064644254 /nfs/dbraw/zinc/64/42/54/1064644254.db2.gz QYUKUJVBFQXWTG-INIZCTEOSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC001435267126 1064644897 /nfs/dbraw/zinc/64/48/97/1064644897.db2.gz SSTAAXYUGMTVQJ-RLWLMLJZSA-N 0 0 454.636 4.712 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OCC1CCOCC1 ZINC001435267570 1064645821 /nfs/dbraw/zinc/64/58/21/1064645821.db2.gz UQYDXXPBMNNDJU-FGZHOGPDSA-N 0 0 458.599 4.917 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2cccnc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359921166 1064645966 /nfs/dbraw/zinc/64/59/66/1064645966.db2.gz YGJWJRJZDCFYRL-JOCHJYFZSA-N 0 0 470.662 4.926 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1cc(Cl)ccc1Br ZINC001435268447 1064646884 /nfs/dbraw/zinc/64/68/84/1064646884.db2.gz AKXSZIUCMILBEO-CXAGYDPISA-N 0 0 459.812 4.939 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)nn1-c1ccc(Cl)cc1Cl ZINC001435270341 1064648622 /nfs/dbraw/zinc/64/86/22/1064648622.db2.gz HNTBQMKVHMQYIO-SFHVURJKSA-N 0 0 457.361 4.522 20 0 JJADRN CC(C)CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC001359921596 1064648614 /nfs/dbraw/zinc/64/86/14/1064648614.db2.gz NIUFXVBHPFRSPG-UHFFFAOYSA-N 0 0 479.547 4.518 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1Cc2ccccc2O1 ZINC001359921731 1064648673 /nfs/dbraw/zinc/64/86/73/1064648673.db2.gz SIYRRJCJENOXJT-HBMCJLEFSA-N 0 0 469.630 4.535 20 0 JJADRN CC(C)CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(F)F)c1)C1CC1 ZINC001359923160 1064650263 /nfs/dbraw/zinc/65/02/63/1064650263.db2.gz ABQHTSYNHUGFQN-UHFFFAOYSA-N 0 0 454.525 4.926 20 0 JJADRN CC(C)CCN(c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 ZINC001359923317 1064651272 /nfs/dbraw/zinc/65/12/72/1064651272.db2.gz FWOUDCMZUXQEPO-UHFFFAOYSA-N 0 0 469.655 4.722 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Sc2ccc(Br)cc2)o1 ZINC001435274502 1064653162 /nfs/dbraw/zinc/65/31/62/1064653162.db2.gz TVPOYMSOTFKSLS-BFUOFWGJSA-N 0 0 458.381 4.947 20 0 JJADRN CC(C)CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 ZINC001359923738 1064653491 /nfs/dbraw/zinc/65/34/91/1064653491.db2.gz UKPCMWIMGDZVMO-AZUAARDMSA-N 0 0 474.049 4.549 20 0 JJADRN C[C@@]1(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC001435275480 1064654137 /nfs/dbraw/zinc/65/41/37/1064654137.db2.gz DIIFQMUNMJCLQR-JOCHJYFZSA-N 0 0 452.885 4.606 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC001435276553 1064654794 /nfs/dbraw/zinc/65/47/94/1064654794.db2.gz COCJWKIBNKBZNF-HOTGVXAUSA-N 0 0 456.029 4.588 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCCC3)cc21 ZINC001435276930 1064655563 /nfs/dbraw/zinc/65/55/63/1064655563.db2.gz KBCQOQMOLNQZEI-UHFFFAOYSA-N 0 0 456.384 4.992 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC001435276775 1064655674 /nfs/dbraw/zinc/65/56/74/1064655674.db2.gz OLKMYRLEEARXHC-CPNJWEJPSA-N 0 0 451.552 4.577 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC001359924976 1064655828 /nfs/dbraw/zinc/65/58/28/1064655828.db2.gz HVJSVAVGTGPUMZ-OAQYLSRUSA-N 0 0 454.979 4.664 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001359924700 1064655920 /nfs/dbraw/zinc/65/59/20/1064655920.db2.gz WVGZUMYPWBDIHT-NHCUHLMSSA-N 0 0 475.678 4.834 20 0 JJADRN CCCc1c(C(=O)NCc2cccc(COC3CCOCC3)c2)cnn1-c1cccc(F)c1 ZINC001359925184 1064656360 /nfs/dbraw/zinc/65/63/60/1064656360.db2.gz PXDXMULWOVVOSZ-UHFFFAOYSA-N 0 0 451.542 4.590 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001359925044 1064656394 /nfs/dbraw/zinc/65/63/94/1064656394.db2.gz KPSHRMOBRSIJQQ-UHFFFAOYSA-N 0 0 456.930 4.638 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc2c1 ZINC001435278861 1064657254 /nfs/dbraw/zinc/65/72/54/1064657254.db2.gz YLGVGZVKXRNXMZ-AVRDEDQJSA-N 0 0 453.560 4.554 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CC1 ZINC001359926153 1064657373 /nfs/dbraw/zinc/65/73/73/1064657373.db2.gz DSQFRSRBRZBOJB-XMMPIXPASA-N 0 0 473.543 4.729 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c2ccc(OC)cc2)n1 ZINC001435279850 1064657904 /nfs/dbraw/zinc/65/79/04/1064657904.db2.gz ZPKILJSBRUICDD-OAQYLSRUSA-N 0 0 452.532 4.614 20 0 JJADRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c2ccccc12 ZINC001435279889 1064658042 /nfs/dbraw/zinc/65/80/42/1064658042.db2.gz HHPNXIWHDVBJPX-QZTJIDSGSA-N 0 0 453.560 4.734 20 0 JJADRN COC(=O)c1cc(NC(=O)c2csc(Br)c2C)c(Br)cc1F ZINC001435282172 1064659037 /nfs/dbraw/zinc/65/90/37/1064659037.db2.gz WYNBDJMHWPMGCN-UHFFFAOYSA-N 0 0 451.111 4.760 20 0 JJADRN CCCn1ccc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC001435282875 1064660623 /nfs/dbraw/zinc/66/06/23/1064660623.db2.gz KNRUBLQFCRMPJS-MRXNPFEDSA-N 0 0 452.001 4.558 20 0 JJADRN CC(C)CCn1cc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)nn1 ZINC001435283807 1064661159 /nfs/dbraw/zinc/66/11/59/1064661159.db2.gz MSIUHZFDVPZFKL-QHCPKHFHSA-N 0 0 455.400 4.975 20 0 JJADRN CC(C)(CNC(=O)c1ccc(O[C@@H]2CCOC2)cc1)Sc1ccc(Br)cc1 ZINC001435287726 1064664055 /nfs/dbraw/zinc/66/40/55/1064664055.db2.gz GTXBLXSMRZRMOF-GOSISDBHSA-N 0 0 450.398 4.918 20 0 JJADRN CC(C)(CNC(=O)c1ccc(O[C@H]2CCOC2)cc1)Sc1ccc(Br)cc1 ZINC001435287729 1064664062 /nfs/dbraw/zinc/66/40/62/1064664062.db2.gz GTXBLXSMRZRMOF-SFHVURJKSA-N 0 0 450.398 4.918 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC001435288171 1064664110 /nfs/dbraw/zinc/66/41/10/1064664110.db2.gz CEQIAAFVQBBLLO-UHFFFAOYSA-N 0 0 453.526 4.959 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1Cl ZINC001359928493 1064664699 /nfs/dbraw/zinc/66/46/99/1064664699.db2.gz GVMGTKNCKOZHOY-HXUWFJFHSA-N 0 0 452.979 4.827 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001359928842 1064665523 /nfs/dbraw/zinc/66/55/23/1064665523.db2.gz PCTJXIKKCBNAFJ-INIZCTEOSA-N 0 0 453.539 4.894 20 0 JJADRN C[C@@H]1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccc(F)cc2O1 ZINC001435289632 1064665532 /nfs/dbraw/zinc/66/55/32/1064665532.db2.gz HWXQCHNOBMWCHA-GFCCVEGCSA-N 0 0 457.855 4.923 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)nn1 ZINC001435289875 1064665655 /nfs/dbraw/zinc/66/56/55/1064665655.db2.gz LRRAOQBFNTWKRA-UHFFFAOYSA-N 0 0 459.413 4.893 20 0 JJADRN C[C@H]1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccc(F)cc2O1 ZINC001435289633 1064665683 /nfs/dbraw/zinc/66/56/83/1064665683.db2.gz HWXQCHNOBMWCHA-LBPRGKRZSA-N 0 0 457.855 4.923 20 0 JJADRN COc1ccn2c(c1)ncc2C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F ZINC001359929309 1064666551 /nfs/dbraw/zinc/66/65/51/1064666551.db2.gz ZZIURVGILHVVEJ-UHFFFAOYSA-N 0 0 450.417 4.961 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)cc2)c1C ZINC001435291015 1064666619 /nfs/dbraw/zinc/66/66/19/1064666619.db2.gz NFIHHXWAYKMECP-UQBPGWFLSA-N 0 0 459.590 4.861 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC001435291573 1064667117 /nfs/dbraw/zinc/66/71/17/1064667117.db2.gz VOCLRUFOCLYFIV-DCEDVJGZSA-N 0 0 454.636 4.824 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1 ZINC001435291145 1064667367 /nfs/dbraw/zinc/66/73/67/1064667367.db2.gz LHZAFTNKQJZLOQ-QFIPXVFZSA-N 0 0 450.516 4.729 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)Cc2ccc3c(c2)CCCO3)cc1 ZINC001435293226 1064668783 /nfs/dbraw/zinc/66/87/83/1064668783.db2.gz SKASLJFNINMUFH-UHFFFAOYSA-N 0 0 451.544 4.779 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(F)ccc(OC)c2OC)cc1 ZINC001435292920 1064668803 /nfs/dbraw/zinc/66/88/03/1064668803.db2.gz QUBSOTLHNPGUCA-UHFFFAOYSA-N 0 0 459.495 4.681 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC001435293513 1064669801 /nfs/dbraw/zinc/66/98/01/1064669801.db2.gz HMFXVBXLUXIVFR-GFCCVEGCSA-N 0 0 457.162 4.726 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)C2)ncn1 ZINC001359931809 1064669922 /nfs/dbraw/zinc/66/99/22/1064669922.db2.gz COJSLOUPWJIHGG-INIZCTEOSA-N 0 0 452.908 4.528 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001359932127 1064669981 /nfs/dbraw/zinc/66/99/81/1064669981.db2.gz IKJJNXMNWLENFX-CYBMUJFWSA-N 0 0 456.896 4.627 20 0 JJADRN C[C@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)Oc1ccc(Br)cc1 ZINC001435294309 1064670120 /nfs/dbraw/zinc/67/01/20/1064670120.db2.gz NVVMCRJAVKBAPC-QGZVFWFLSA-N 0 0 455.352 4.549 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001435294489 1064670189 /nfs/dbraw/zinc/67/01/89/1064670189.db2.gz AZRDIYKIVVBWMB-RKVPGOIHSA-N 0 0 452.393 4.907 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001435295043 1064671349 /nfs/dbraw/zinc/67/13/49/1064671349.db2.gz HEIBXTFBSQGRGN-APPDUMDISA-N 0 0 457.155 4.617 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C ZINC001435294792 1064671367 /nfs/dbraw/zinc/67/13/67/1064671367.db2.gz DNJASNRUVRXQOJ-XXHMAFKTSA-N 0 0 459.468 4.806 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001359932899 1064672103 /nfs/dbraw/zinc/67/21/03/1064672103.db2.gz ILDLEWKHEMKHGP-OALUTQOASA-N 0 0 472.634 4.943 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359932974 1064672154 /nfs/dbraw/zinc/67/21/54/1064672154.db2.gz LMXQYQVKSKESOZ-BJLQDIEVSA-N 0 0 475.609 4.953 20 0 JJADRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cc(I)c(F)cc1F ZINC001435297809 1064673452 /nfs/dbraw/zinc/67/34/52/1064673452.db2.gz PRJZSQGCQYQHGI-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN CN(C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435298487 1064674462 /nfs/dbraw/zinc/67/44/62/1064674462.db2.gz XJBAAHWHWXWCQU-LJQANCHMSA-N 0 0 454.958 4.760 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001359933414 1064674628 /nfs/dbraw/zinc/67/46/28/1064674628.db2.gz RSRRAHBZFYTELN-UXHICEINSA-N 0 0 473.637 4.980 20 0 JJADRN C[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(-n2cccn2)cc1 ZINC001435300362 1064675219 /nfs/dbraw/zinc/67/52/19/1064675219.db2.gz DOKONAZUNHEMSP-LBPRGKRZSA-N 0 0 451.695 4.621 20 0 JJADRN Cc1cc(I)cnc1NC(=O)COc1ccccc1Cc1ccccc1 ZINC001435301194 1064675938 /nfs/dbraw/zinc/67/59/38/1064675938.db2.gz LVICSVGQMAUMBF-UHFFFAOYSA-N 0 0 458.299 4.603 20 0 JJADRN CC(C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359933750 1064676212 /nfs/dbraw/zinc/67/62/12/1064676212.db2.gz XFWJJKLMUSMUHW-UHFFFAOYSA-N 0 0 463.573 4.676 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001359933761 1064676245 /nfs/dbraw/zinc/67/62/45/1064676245.db2.gz XKIMIJPPVUANJC-JXFKEZNVSA-N 0 0 496.881 4.564 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc21 ZINC001435301479 1064676932 /nfs/dbraw/zinc/67/69/32/1064676932.db2.gz IHZNKVSBZVQLHI-ISKFKSNPSA-N 0 0 450.579 4.845 20 0 JJADRN CC(C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359934047 1064677012 /nfs/dbraw/zinc/67/70/12/1064677012.db2.gz ULGMXJCLFHBJAH-LJQANCHMSA-N 0 0 450.587 4.643 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(Br)ncc1Br ZINC001359934295 1064677076 /nfs/dbraw/zinc/67/70/76/1064677076.db2.gz CTIMAZDBVDILND-HNNXBMFYSA-N 0 0 454.162 4.983 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC001435302918 1064677771 /nfs/dbraw/zinc/67/77/71/1064677771.db2.gz TWFFTNJONSULFE-INIZCTEOSA-N 0 0 451.514 4.621 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)Nc3ncc(I)cc3C)c2)cn1 ZINC001435302431 1064677839 /nfs/dbraw/zinc/67/78/39/1064677839.db2.gz RLZBXMIONPUSSX-UHFFFAOYSA-N 0 0 459.287 4.529 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC001359934462 1064677916 /nfs/dbraw/zinc/67/79/16/1064677916.db2.gz IPEZANBYIUHNKD-UHFFFAOYSA-N 0 0 458.543 4.664 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1nc(Br)ccc1Br ZINC001359934542 1064677981 /nfs/dbraw/zinc/67/79/81/1064677981.db2.gz KZGGTNYMULKIMX-AWEZNQCLSA-N 0 0 454.162 4.983 20 0 JJADRN CN(C(=O)CCCSc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435303861 1064678414 /nfs/dbraw/zinc/67/84/14/1064678414.db2.gz WRQYFIABFXDGPU-MRXNPFEDSA-N 0 0 457.434 4.789 20 0 JJADRN CCC[C@H](NC(=O)c1cnn(C2CCCC2)c1CC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935119 1064678500 /nfs/dbraw/zinc/67/85/00/1064678500.db2.gz CRUAMIYQBLUDGX-QHCPKHFHSA-N 0 0 451.615 4.698 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC001359934960 1064678653 /nfs/dbraw/zinc/67/86/53/1064678653.db2.gz AXIICQMYRUSNHQ-HKUYNNGSSA-N 0 0 453.174 4.791 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC001435304470 1064679363 /nfs/dbraw/zinc/67/93/63/1064679363.db2.gz XGEQBUOXPKKIGM-DCFHFQCYSA-N 0 0 454.574 4.586 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359936038 1064679381 /nfs/dbraw/zinc/67/93/81/1064679381.db2.gz QHCIHHFKDHDKGE-FGZHOGPDSA-N 0 0 457.521 4.610 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@@H](C)Oc2ccccc2C)cc1 ZINC001435306069 1064680069 /nfs/dbraw/zinc/68/00/69/1064680069.db2.gz ZVZJOPMUUIDCMO-OAQYLSRUSA-N 0 0 455.558 4.983 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC001435306785 1064680949 /nfs/dbraw/zinc/68/09/49/1064680949.db2.gz NUAZJWFJFUEKFP-CYBMUJFWSA-N 0 0 458.335 4.649 20 0 JJADRN CC(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359937894 1064681000 /nfs/dbraw/zinc/68/10/00/1064681000.db2.gz DQZZXLCPNQKFDH-UHFFFAOYSA-N 0 0 488.436 4.961 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@H](C)CC)ccc1F ZINC001359937774 1064681014 /nfs/dbraw/zinc/68/10/14/1064681014.db2.gz DUZWKCSYXLGBBF-MZNJEOGPSA-N 0 0 453.558 4.802 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)/C(C)=C/c1ccc(Br)o1 ZINC001435307026 1064681038 /nfs/dbraw/zinc/68/10/38/1064681038.db2.gz MBWCUSMXHQOGLM-CMDGGOBGSA-N 0 0 457.118 4.942 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001359937701 1064681059 /nfs/dbraw/zinc/68/10/59/1064681059.db2.gz BRUIEFIATFFNJK-QFIPXVFZSA-N 0 0 497.684 4.927 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001435308306 1064681664 /nfs/dbraw/zinc/68/16/64/1064681664.db2.gz YNAIADKSDQFBSB-MRXNPFEDSA-N 0 0 455.521 4.685 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001359938012 1064681667 /nfs/dbraw/zinc/68/16/67/1064681667.db2.gz HKHPNMLUCGOVRX-UHFFFAOYSA-N 0 0 457.939 4.564 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938417 1064682573 /nfs/dbraw/zinc/68/25/73/1064682573.db2.gz MWMVPXRPQRGUSV-MWTRTKDXSA-N 0 0 450.608 4.988 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001435309293 1064683311 /nfs/dbraw/zinc/68/33/11/1064683311.db2.gz XEBGWTVUXUIOCK-FPOVZHCZSA-N 0 0 456.587 4.558 20 0 JJADRN CCc1cccnc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001359940297 1064684087 /nfs/dbraw/zinc/68/40/87/1064684087.db2.gz DGXRQFJENZUQNQ-HXUWFJFHSA-N 0 0 456.315 4.655 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)nnc1-c1ccccc1 ZINC001435310440 1064684196 /nfs/dbraw/zinc/68/41/96/1064684196.db2.gz XEZXWPMWQPRQFQ-BJLQDIEVSA-N 0 0 454.596 4.837 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001359940406 1064684975 /nfs/dbraw/zinc/68/49/75/1064684975.db2.gz LDTQKYXWSDLCSN-NHCUHLMSSA-N 0 0 461.651 4.587 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435311374 1064684999 /nfs/dbraw/zinc/68/49/99/1064684999.db2.gz JEJCMEMPQPAEKZ-DNVCBOLYSA-N 0 0 450.576 4.671 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC001359940928 1064685721 /nfs/dbraw/zinc/68/57/21/1064685721.db2.gz LASZFZIDWLQPJU-SFHVURJKSA-N 0 0 458.605 4.639 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1 ZINC001435313150 1064685885 /nfs/dbraw/zinc/68/58/85/1064685885.db2.gz JUUZHSCXJZJNNF-UHFFFAOYSA-N 0 0 456.543 4.776 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1Oc1ccccc1 ZINC001359942073 1064686689 /nfs/dbraw/zinc/68/66/89/1064686689.db2.gz WEBWYZXCCPUIEG-INIZCTEOSA-N 0 0 458.967 4.874 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)C2=O)cc1 ZINC001435314840 1064686718 /nfs/dbraw/zinc/68/67/18/1064686718.db2.gz ISGCGZMXFSIQIL-HXUWFJFHSA-N 0 0 457.958 4.921 20 0 JJADRN Cc1nn(CC(=O)NC[C@H](C)Oc2cccc(F)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001435314005 1064686937 /nfs/dbraw/zinc/68/69/37/1064686937.db2.gz FGBFKILXMGJJNC-ZDUSSCGKSA-N 0 0 452.452 4.605 20 0 JJADRN CC(C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001359943025 1064687361 /nfs/dbraw/zinc/68/73/61/1064687361.db2.gz QHCGSDMRCXWOFS-IBGZPJMESA-N 0 0 454.644 4.642 20 0 JJADRN CC(C)CCn1c(Cc2ccccc2F)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001359943048 1064687393 /nfs/dbraw/zinc/68/73/93/1064687393.db2.gz RPUPDPAOSVOPSM-UHFFFAOYSA-N 0 0 455.622 4.673 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c2cc(Cl)ccc2O1 ZINC001435315737 1064687467 /nfs/dbraw/zinc/68/74/67/1064687467.db2.gz XWQUIPMFQDEBQU-KZNAEPCWSA-N 0 0 456.970 4.936 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001359943507 1064688391 /nfs/dbraw/zinc/68/83/91/1064688391.db2.gz BNFCJVFZDRPDHU-QHCPKHFHSA-N 0 0 482.456 4.511 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](C)Oc3cccc(F)c3)[C@@H]2c2cccs2)cc1 ZINC001435316615 1064689291 /nfs/dbraw/zinc/68/92/91/1064689291.db2.gz RRHFQPXUORSSIP-CODAWKSHSA-N 0 0 452.551 4.874 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc(C(F)(F)F)c1 ZINC001435317145 1064690163 /nfs/dbraw/zinc/69/01/63/1064690163.db2.gz NCFXJFOAFPZRIK-UHFFFAOYSA-N 0 0 458.396 4.783 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1Cl ZINC001435316985 1064690300 /nfs/dbraw/zinc/69/03/00/1064690300.db2.gz VURNUKQFFDYLSA-UHFFFAOYSA-N 0 0 459.955 4.810 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2cc(Br)ccc2Br)cc1OC ZINC001435318306 1064690976 /nfs/dbraw/zinc/69/09/76/1064690976.db2.gz FKJIDVBMKWGMPN-LLVKDONJSA-N 0 0 457.162 4.590 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c2ccccc2O1 ZINC001435318102 1064691002 /nfs/dbraw/zinc/69/10/02/1064691002.db2.gz HOXWBNSGPRGPDS-OAHLLOKOSA-N 0 0 457.914 4.544 20 0 JJADRN COc1ccc([C@H](NC(=O)c2coc(C3CCOCC3)n2)c2ccccc2Cl)c(OC)c1 ZINC001435318475 1064691883 /nfs/dbraw/zinc/69/18/83/1064691883.db2.gz REMCGIDAXQDYMU-JOCHJYFZSA-N 0 0 456.926 4.759 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCc2cccc3c2OCO3)c2ccccc2Cl)c(OC)c1 ZINC001435318496 1064691992 /nfs/dbraw/zinc/69/19/92/1064691992.db2.gz RNGVZUIADRMWAG-DEOSSOPVSA-N 0 0 453.922 4.924 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(Br)cs1 ZINC001359944656 1064692431 /nfs/dbraw/zinc/69/24/31/1064692431.db2.gz YBKGAEWJSIOTGU-UHFFFAOYSA-N 0 0 482.473 4.776 20 0 JJADRN CCC(=O)N1CC[C@@H](C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)C1 ZINC001359945360 1064693518 /nfs/dbraw/zinc/69/35/18/1064693518.db2.gz MIBBJVLBLDLJEW-OAHLLOKOSA-N 0 0 451.514 4.827 20 0 JJADRN CC(C)(C)n1ccc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC001359946733 1064694027 /nfs/dbraw/zinc/69/40/27/1064694027.db2.gz OOSLZFTWHWYMLF-HSZRJFAPSA-N 0 0 451.615 4.967 20 0 JJADRN CC(C)c1ccc(C2(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CCCCC2)cc1 ZINC001359946625 1064694077 /nfs/dbraw/zinc/69/40/77/1064694077.db2.gz WVNVCBXCVISRMR-UHFFFAOYSA-N 0 0 454.636 4.885 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001435320253 1064694476 /nfs/dbraw/zinc/69/44/76/1064694476.db2.gz YSYWEIXYMKNVDQ-INIZCTEOSA-N 0 0 456.530 4.546 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)cs2)cc1 ZINC001359946783 1064694911 /nfs/dbraw/zinc/69/49/11/1064694911.db2.gz PIVFHOTYIZTRJF-XMMPIXPASA-N 0 0 453.652 4.945 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC001359946857 1064694948 /nfs/dbraw/zinc/69/49/48/1064694948.db2.gz RHFIQLJEXPSIMS-NRFANRHFSA-N 0 0 458.400 4.641 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cnn1Cc1ccccc1 ZINC001359947013 1064694969 /nfs/dbraw/zinc/69/49/69/1064694969.db2.gz WWNXKCBMIYXEMZ-VWLOTQADSA-N 0 0 450.627 4.527 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001435320880 1064695029 /nfs/dbraw/zinc/69/50/29/1064695029.db2.gz CTGVRLHINJMHMW-HOTGVXAUSA-N 0 0 451.419 4.776 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359947126 1064695944 /nfs/dbraw/zinc/69/59/44/1064695944.db2.gz AEOANFPZOBKTHD-UXHICEINSA-N 0 0 490.693 4.527 20 0 JJADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001359947795 1064697854 /nfs/dbraw/zinc/69/78/54/1064697854.db2.gz PNBDRVVYHKEYNQ-ZACQAIPSSA-N 0 0 459.557 4.874 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001435325169 1064697905 /nfs/dbraw/zinc/69/79/05/1064697905.db2.gz VJZWFJMGTUGHJV-LJAQVGFWSA-N 0 0 453.347 4.570 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435327575 1064699302 /nfs/dbraw/zinc/69/93/02/1064699302.db2.gz ALEOIICTKFRVNB-ISJGIBHGSA-N 0 0 451.563 4.801 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001435328855 1064700181 /nfs/dbraw/zinc/70/01/81/1064700181.db2.gz NKLHXTHTTCCLKB-AZGAKELHSA-N 0 0 456.586 4.833 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(C3CC3)cnc2Cl)c2ccc(F)cc2)c1 ZINC001435328882 1064700239 /nfs/dbraw/zinc/70/02/39/1064700239.db2.gz OAMFHEBYGZFVSP-OAQYLSRUSA-N 0 0 458.942 4.674 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)cc12 ZINC001435329562 1064700678 /nfs/dbraw/zinc/70/06/78/1064700678.db2.gz FXWGKVNMOCZLRN-ZDUSSCGKSA-N 0 0 456.921 4.757 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cccc(C(=O)Nc4ccc(Cl)cn4)c3)c2c1 ZINC001359948772 1064700930 /nfs/dbraw/zinc/70/09/30/1064700930.db2.gz PESFAIUFMXLKSI-UHFFFAOYSA-N 0 0 450.857 4.941 20 0 JJADRN C[C@@H](N1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1)C(F)(F)F ZINC001435330084 1064701173 /nfs/dbraw/zinc/70/11/73/1064701173.db2.gz JZQQAGZDSIPRLY-SNVBAGLBSA-N 0 0 453.349 4.948 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CC2CC(OC(C)(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330174 1064701262 /nfs/dbraw/zinc/70/12/62/1064701262.db2.gz LHURHHUXRJCSDL-OWZGOFHBSA-N 0 0 457.636 4.842 20 0 JJADRN CCc1ccc([C@H](NC(=O)CC2CC(OC(C)(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330173 1064701327 /nfs/dbraw/zinc/70/13/27/1064701327.db2.gz LHURHHUXRJCSDL-KRFYGZOHSA-N 0 0 457.636 4.842 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)CSc2ccc(Br)cc2C)cc1OC ZINC001359949008 1064701508 /nfs/dbraw/zinc/70/15/08/1064701508.db2.gz SWBQQBHQGFSSAO-UHFFFAOYSA-N 0 0 452.414 4.961 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CCCC2)cc1C ZINC001435330623 1064702329 /nfs/dbraw/zinc/70/23/29/1064702329.db2.gz RCXSONAFGPTCGF-DCFHFQCYSA-N 0 0 469.626 4.566 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001359949962 1064702584 /nfs/dbraw/zinc/70/25/84/1064702584.db2.gz APNFPHCKUFPXQC-PMACEKPBSA-N 0 0 485.698 4.746 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC001359949631 1064702715 /nfs/dbraw/zinc/70/27/15/1064702715.db2.gz NAKHMUOEUKGKPA-UHFFFAOYSA-N 0 0 458.562 4.537 20 0 JJADRN Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001359949623 1064702745 /nfs/dbraw/zinc/70/27/45/1064702745.db2.gz MOPXNFXBSLPHKF-UHFFFAOYSA-N 0 0 458.949 4.941 20 0 JJADRN CCN(CC)C(=O)CCCNC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001359949932 1064702771 /nfs/dbraw/zinc/70/27/71/1064702771.db2.gz ZKECJRAYZVLCDI-UHFFFAOYSA-N 0 0 456.637 4.524 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331446 1064702726 /nfs/dbraw/zinc/70/27/26/1064702726.db2.gz FIKBTKPKHGNASL-IMSXRSKXSA-N 0 0 455.526 4.686 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359950072 1064703121 /nfs/dbraw/zinc/70/31/21/1064703121.db2.gz DNXWIFJFNFWOHB-BGYRXZFFSA-N 0 0 476.687 4.676 20 0 JJADRN CCc1ccc([C@H](NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331566 1064703184 /nfs/dbraw/zinc/70/31/84/1064703184.db2.gz YWNKIGNHUKZRIJ-ZOSUSCCZSA-N 0 0 457.636 4.699 20 0 JJADRN CC(=O)Nc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ccc1F ZINC001435331895 1064703645 /nfs/dbraw/zinc/70/36/45/1064703645.db2.gz ZVVSTORPCBEINF-HSZRJFAPSA-N 0 0 454.885 4.728 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H]2COCCO2)cc1 ZINC001359950115 1064703734 /nfs/dbraw/zinc/70/37/34/1064703734.db2.gz FCZCHLWWBDDMBK-UGKGYDQZSA-N 0 0 454.571 4.576 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001359950249 1064704415 /nfs/dbraw/zinc/70/44/15/1064704415.db2.gz FQYKQDDWDCRXPO-RLWLMLJZSA-N 0 0 456.631 4.536 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)ccc2NC1=O ZINC001435332958 1064704812 /nfs/dbraw/zinc/70/48/12/1064704812.db2.gz LRMSGPLFNIYLDZ-CWTRNNRKSA-N 0 0 459.333 4.780 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2(O)CCCC2)cc1 ZINC001359950458 1064704800 /nfs/dbraw/zinc/70/48/00/1064704800.db2.gz IYHDADXINYGHFR-WIYYLYMNSA-N 0 0 496.574 4.831 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC2(O)CCCC2)cc1 ZINC001359950455 1064704815 /nfs/dbraw/zinc/70/48/15/1064704815.db2.gz IYHDADXINYGHFR-GHTZIAJQSA-N 0 0 496.574 4.831 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001359950510 1064705373 /nfs/dbraw/zinc/70/53/73/1064705373.db2.gz JXLOSBKAWPIHMY-AOHZBQACSA-N 0 0 470.658 4.905 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435334016 1064705784 /nfs/dbraw/zinc/70/57/84/1064705784.db2.gz QCKAUJNZRSAZJD-SBUREZEXSA-N 0 0 457.979 4.725 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)[C@@H]2CCCO[C@H]21 ZINC001435334230 1064706335 /nfs/dbraw/zinc/70/63/35/1064706335.db2.gz VFMNLGHMDQQYOK-APHBMKBZSA-N 0 0 455.395 4.502 20 0 JJADRN CC1(C)[C@H](NC(=O)CCCCCc2ccc(I)cc2)[C@H]2CCCO[C@H]21 ZINC001435334596 1064706530 /nfs/dbraw/zinc/70/65/30/1064706530.db2.gz VJYWJBKKBRLBCN-MISYRCLQSA-N 0 0 455.380 4.714 20 0 JJADRN CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc3scc(Br)c3c1)CCC2 ZINC001359950832 1064707019 /nfs/dbraw/zinc/70/70/19/1064707019.db2.gz NOAVVEUBDDDGNN-UHFFFAOYSA-N 0 0 450.379 4.660 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN2CCCCCC2=O)cc1 ZINC001359950796 1064707307 /nfs/dbraw/zinc/70/73/07/1064707307.db2.gz NZKRKISSRFYFMW-GOTSBHOMSA-N 0 0 497.684 4.776 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001359951020 1064707747 /nfs/dbraw/zinc/70/77/47/1064707747.db2.gz RFVLEERABFCMSU-SFTDATJTSA-N 0 0 480.657 4.944 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H]2CCCOC2)cc1 ZINC001359951123 1064708057 /nfs/dbraw/zinc/70/80/57/1064708057.db2.gz RZRCNTYHVAATKR-NNMXDRDESA-N 0 0 496.574 4.953 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@]2(O)CCSC2)cc1 ZINC001359951165 1064708071 /nfs/dbraw/zinc/70/80/71/1064708071.db2.gz SURJEQBFIZMNOX-SQJMNOBHSA-N 0 0 458.672 4.720 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951158 1064708100 /nfs/dbraw/zinc/70/81/00/1064708100.db2.gz SUPBVRYUMQIDGG-GGAORHGYSA-N 0 0 488.698 4.677 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@]2(O)CCSC2)cc1 ZINC001359951161 1064708179 /nfs/dbraw/zinc/70/81/79/1064708179.db2.gz SURJEQBFIZMNOX-BWKNWUBXSA-N 0 0 458.672 4.720 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C12CCCCC2 ZINC001435338668 1064708608 /nfs/dbraw/zinc/70/86/08/1064708608.db2.gz FNBFEJQRCYOGQM-MOPGFXCFSA-N 0 0 453.048 4.840 20 0 JJADRN CCc1nsc(N2CCN(C(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)CC2)n1 ZINC001435337811 1064708620 /nfs/dbraw/zinc/70/86/20/1064708620.db2.gz WUGWDJSEGAHDSN-UHFFFAOYSA-N 0 0 453.439 4.958 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C12CCCCC2 ZINC001435338669 1064708857 /nfs/dbraw/zinc/70/88/57/1064708857.db2.gz FNBFEJQRCYOGQM-OALUTQOASA-N 0 0 453.048 4.840 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCC(=O)N(C)C)cc1 ZINC001359951169 1064708746 /nfs/dbraw/zinc/70/87/46/1064708746.db2.gz SVLFUVXJCUFALK-IRLDBZIGSA-N 0 0 455.647 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951385 1064709847 /nfs/dbraw/zinc/70/98/47/1064709847.db2.gz WXLBBJHDLAAEEQ-HXUWFJFHSA-N 0 0 476.687 4.677 20 0 JJADRN CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001435339469 1064710144 /nfs/dbraw/zinc/71/01/44/1064710144.db2.gz GQKDKNQGQYCVLL-SFHVURJKSA-N 0 0 454.470 4.645 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001359951547 1064710204 /nfs/dbraw/zinc/71/02/04/1064710204.db2.gz YTKNXYGOEIIEAN-QTYPKTMWSA-N 0 0 478.728 4.859 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001359951607 1064710256 /nfs/dbraw/zinc/71/02/56/1064710256.db2.gz ZSKKPUXLTQWKNX-SFTDATJTSA-N 0 0 462.642 4.972 20 0 JJADRN Cc1nn(C)cc1CCC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C ZINC001435342176 1064711051 /nfs/dbraw/zinc/71/10/51/1064711051.db2.gz CLCABCMCZHCBCS-UHFFFAOYSA-N 0 0 458.400 4.893 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)cc1 ZINC001435341884 1064711087 /nfs/dbraw/zinc/71/10/87/1064711087.db2.gz FWYYJNZJJSTNTJ-UHFFFAOYSA-N 0 0 451.544 4.764 20 0 JJADRN COCCN(C(=O)Cc1sc(SC2CCCC2)nc1C)c1ccc(OC)c(OC)c1 ZINC001435342587 1064711523 /nfs/dbraw/zinc/71/15/23/1064711523.db2.gz ZEFFZQZOWLIRMD-UHFFFAOYSA-N 0 0 450.626 4.726 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2(C)CC2)cc1 ZINC001359951882 1064711686 /nfs/dbraw/zinc/71/16/86/1064711686.db2.gz ITRYKKZXNMUROG-JOCHJYFZSA-N 0 0 474.671 4.574 20 0 JJADRN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1 ZINC001435343868 1064712109 /nfs/dbraw/zinc/71/21/09/1064712109.db2.gz BWNFTOSAAQBGBB-IMSXRSKXSA-N 0 0 455.526 4.686 20 0 JJADRN C[C@@H]1CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2N(C)C1=O ZINC001435343218 1064712146 /nfs/dbraw/zinc/71/21/46/1064712146.db2.gz BVGFTJYRUVOAMU-UYAOXDASSA-N 0 0 451.567 4.678 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001359951951 1064712183 /nfs/dbraw/zinc/71/21/83/1064712183.db2.gz KCKUAGHQLLYJMV-VMODYCNZSA-N 0 0 470.658 4.640 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359951991 1064712970 /nfs/dbraw/zinc/71/29/70/1064712970.db2.gz KVERCWMGQQSGKU-UXHICEINSA-N 0 0 455.647 4.767 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1)Oc1cccc(Br)c1 ZINC001435343908 1064712933 /nfs/dbraw/zinc/71/29/33/1064712933.db2.gz CGGGXTXKQXMDPP-INIZCTEOSA-N 0 0 453.336 4.899 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)NC[C@@H](C)Oc3cccc(Br)c3)nc2)c1 ZINC001435344577 1064713032 /nfs/dbraw/zinc/71/30/32/1064713032.db2.gz FEMUARGJWSCREJ-OAHLLOKOSA-N 0 0 457.324 4.842 20 0 JJADRN C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCOCC1)Oc1cccc(Br)c1 ZINC001435345069 1064713502 /nfs/dbraw/zinc/71/35/02/1064713502.db2.gz GWEFIBZQURXHTK-HNNXBMFYSA-N 0 0 452.776 4.734 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC001435344958 1064713516 /nfs/dbraw/zinc/71/35/16/1064713516.db2.gz JFCBCFIOWPUWEZ-UGKGYDQZSA-N 0 0 458.558 4.910 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001359952082 1064713504 /nfs/dbraw/zinc/71/35/04/1064713504.db2.gz MJLJVFBHNGRGRR-VWNXMTODSA-N 0 0 456.631 4.658 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC001435345789 1064713889 /nfs/dbraw/zinc/71/38/89/1064713889.db2.gz OEZXXOJXSXQFJE-BVZFJXPGSA-N 0 0 456.542 4.860 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCc2cnn(C)c2)cc1 ZINC001359952221 1064713969 /nfs/dbraw/zinc/71/39/69/1064713969.db2.gz QCVGYXAZOHCJDR-UHFFFAOYSA-N 0 0 458.557 4.582 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1NC(=O)c1ccco1 ZINC001435346213 1064714031 /nfs/dbraw/zinc/71/40/31/1064714031.db2.gz MALNVPDVBNSGRG-OAHLLOKOSA-N 0 0 457.324 4.800 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]4CCCC[C@H]4C3)n2CCCS(C)(=O)=O)cc1 ZINC001359952154 1064714133 /nfs/dbraw/zinc/71/41/33/1064714133.db2.gz NZYMEAFRMBFIBF-GGAORHGYSA-N 0 0 488.698 4.821 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952285 1064714667 /nfs/dbraw/zinc/71/46/67/1064714667.db2.gz RNRWODNJRDQQPV-NQIIRXRSSA-N 0 0 493.574 4.817 20 0 JJADRN Cc1c(C(=O)N2CCCC3(C2)CCCCCC3)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001435348101 1064715005 /nfs/dbraw/zinc/71/50/05/1064715005.db2.gz DLAHRTBTRMJQBK-UHFFFAOYSA-N 0 0 459.635 4.735 20 0 JJADRN CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001435348506 1064715709 /nfs/dbraw/zinc/71/57/09/1064715709.db2.gz XPIBMQIMQOFWSE-UUOWRZLLSA-N 0 0 457.542 4.843 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H]2C[C@@H]2C)cc1 ZINC001359952503 1064715744 /nfs/dbraw/zinc/71/57/44/1064715744.db2.gz XETRSLJEGPPHKU-REWPJTCUSA-N 0 0 467.658 4.721 20 0 JJADRN COc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC001435350748 1064716682 /nfs/dbraw/zinc/71/66/82/1064716682.db2.gz IDEGCCNDHFEPTD-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2I)cc1 ZINC001359952902 1064716963 /nfs/dbraw/zinc/71/69/63/1064716963.db2.gz MVJLWJFPTROTAC-UHFFFAOYSA-N 0 0 454.356 4.731 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cncc(N3CCCC3=O)c2)c2ccc(F)c(F)c2)c1 ZINC001435350837 1064717303 /nfs/dbraw/zinc/71/73/03/1064717303.db2.gz IMIUOZYNAYBZNP-HSZRJFAPSA-N 0 0 453.514 4.728 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1csc(Cc2ccccc2F)n1 ZINC001359953882 1064717418 /nfs/dbraw/zinc/71/74/18/1064717418.db2.gz YUHMNNPLQCCMKS-JOCHJYFZSA-N 0 0 459.546 4.853 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC001435351858 1064717639 /nfs/dbraw/zinc/71/76/39/1064717639.db2.gz KKTMCRGQXSSAJX-LBPRGKRZSA-N 0 0 451.283 4.549 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001359954077 1064718278 /nfs/dbraw/zinc/71/82/78/1064718278.db2.gz BEDFEVWBOMLOLU-NHCUHLMSSA-N 0 0 496.574 4.953 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2=CCCCC2)CC1 ZINC001359954050 1064718499 /nfs/dbraw/zinc/71/84/99/1064718499.db2.gz CWQRAZFCOSUIRG-UHFFFAOYSA-N 0 0 466.630 4.847 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001359954243 1064719047 /nfs/dbraw/zinc/71/90/47/1064719047.db2.gz CYKXHKFYPTUFPF-YCFYUYSTSA-N 0 0 470.658 4.781 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cccc(N3CCNC3=O)c2)c2ccc(F)c(F)c2)c1 ZINC001435353355 1064719038 /nfs/dbraw/zinc/71/90/38/1064719038.db2.gz VZSBIVDAALUJEY-JOCHJYFZSA-N 0 0 453.514 4.736 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccncc2)CC1 ZINC001359954351 1064719406 /nfs/dbraw/zinc/71/94/06/1064719406.db2.gz HVZRTUKBQAGTDP-UHFFFAOYSA-N 0 0 455.006 4.663 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC001545890422 1064719468 /nfs/dbraw/zinc/71/94/68/1064719468.db2.gz AKBHKBWCJPULJD-QFIPXVFZSA-N 0 0 458.002 4.857 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC001435354121 1064719602 /nfs/dbraw/zinc/71/96/02/1064719602.db2.gz BJPYRPSZWQDXGP-UHFFFAOYSA-N 0 0 454.408 4.585 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001435354866 1064719909 /nfs/dbraw/zinc/71/99/09/1064719909.db2.gz SRDSPKLAICNPPL-PSWRPDDJSA-N 0 0 465.034 4.858 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC001435355389 1064719948 /nfs/dbraw/zinc/71/99/48/1064719948.db2.gz ANXVPRWUTFCKRE-LJQANCHMSA-N 0 0 451.592 4.784 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359954423 1064719919 /nfs/dbraw/zinc/71/99/19/1064719919.db2.gz GSHANATZCFTGOP-ZRCGQRJVSA-N 0 0 456.631 4.799 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)CC2=O)cc1 ZINC001435355364 1064720110 /nfs/dbraw/zinc/72/01/10/1064720110.db2.gz RLZJWOFBHLRZDA-IBGZPJMESA-N 0 0 457.530 4.522 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)OCCCO3)CC1 ZINC001359954411 1064720040 /nfs/dbraw/zinc/72/00/40/1064720040.db2.gz JIXCEHCVXGYONB-UHFFFAOYSA-N 0 0 456.631 4.817 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001435355886 1064720493 /nfs/dbraw/zinc/72/04/93/1064720493.db2.gz FUHJFGDVZSRSPL-UHFFFAOYSA-N 0 0 458.580 4.894 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)NC(=O)OC(C)(C)C ZINC001435355738 1064720626 /nfs/dbraw/zinc/72/06/26/1064720626.db2.gz UPWOCJSUEMRZRN-GOSISDBHSA-N 0 0 455.555 4.846 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCC2CC(OC(C)(C)C)C2)cc1 ZINC001359954494 1064720659 /nfs/dbraw/zinc/72/06/59/1064720659.db2.gz IAFBTHZCVKMXMD-UHFFFAOYSA-N 0 0 497.684 4.680 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)[C@H]1c1cccnc1 ZINC001435356962 1064720999 /nfs/dbraw/zinc/72/09/99/1064720999.db2.gz KXRBPHMZIPQYAQ-LADGPHEKSA-N 0 0 477.948 4.527 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001359954679 1064721164 /nfs/dbraw/zinc/72/11/64/1064721164.db2.gz KFTSHPLWEZFGLP-LJQANCHMSA-N 0 0 473.687 4.617 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)n2)cc1 ZINC001435357593 1064721483 /nfs/dbraw/zinc/72/14/83/1064721483.db2.gz UQKWEXYHIZYCAK-UHFFFAOYSA-N 0 0 453.495 4.655 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 ZINC001359954753 1064721616 /nfs/dbraw/zinc/72/16/16/1064721616.db2.gz OZAVICXLMFLJFP-QHCPKHFHSA-N 0 0 483.701 4.702 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)c2nccs2)cc1 ZINC001359954911 1064722070 /nfs/dbraw/zinc/72/20/70/1064722070.db2.gz NQHKLFKTAZJUQX-RTBURBONSA-N 0 0 455.628 4.855 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCSC2)cc1 ZINC001359954879 1064722163 /nfs/dbraw/zinc/72/21/63/1064722163.db2.gz MOWHMDKXXDNPIN-REWPJTCUSA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)c2nccs2)cc1 ZINC001359954910 1064722272 /nfs/dbraw/zinc/72/22/72/1064722272.db2.gz NQHKLFKTAZJUQX-RBUKOAKNSA-N 0 0 455.628 4.855 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC001435358270 1064722642 /nfs/dbraw/zinc/72/26/42/1064722642.db2.gz KLWNBXJFTJVSDF-FQEVSTJZSA-N 0 0 459.384 4.644 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)O[C@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360611 1064724204 /nfs/dbraw/zinc/72/42/04/1064724204.db2.gz LEXIFDBLHYZTAQ-ZHLNUILUSA-N 0 0 456.214 4.640 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001435362096 1064724313 /nfs/dbraw/zinc/72/43/13/1064724313.db2.gz QHUIVCKTPYMXJR-MOPGFXCFSA-N 0 0 456.823 4.854 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001435362109 1064724366 /nfs/dbraw/zinc/72/43/66/1064724366.db2.gz QHUIVCKTPYMXJR-OALUTQOASA-N 0 0 456.823 4.854 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3nc4cc(C)cc(C)c4o3)n2)cc(Cl)c1OC ZINC001435362313 1064724521 /nfs/dbraw/zinc/72/45/21/1064724521.db2.gz OEFIFZYFKFZEHK-UHFFFAOYSA-N 0 0 456.886 4.737 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001359955493 1064724673 /nfs/dbraw/zinc/72/46/73/1064724673.db2.gz WTIQWKFPKMOGLY-FXAWDEMLSA-N 0 0 466.598 4.736 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)sc1Br ZINC001359956826 1064725180 /nfs/dbraw/zinc/72/51/80/1064725180.db2.gz ABCHURLVRYNXHK-OAHLLOKOSA-N 0 0 457.821 4.957 20 0 JJADRN Cc1cccc(-n2cc(C(=O)O[C@H](c3cc(Br)ccc3F)C(F)(F)F)nn2)c1 ZINC001435363608 1064725172 /nfs/dbraw/zinc/72/51/72/1064725172.db2.gz XLURFUVZZSLVFW-MRXNPFEDSA-N 0 0 458.209 4.938 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001359958101 1064726790 /nfs/dbraw/zinc/72/67/90/1064726790.db2.gz MJVJJGJSYMOPNH-UHFFFAOYSA-N 0 0 492.668 4.916 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001359958197 1064727387 /nfs/dbraw/zinc/72/73/87/1064727387.db2.gz OXYONZDICZQRFE-UHFFFAOYSA-N 0 0 474.531 4.834 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC001435369631 1064727635 /nfs/dbraw/zinc/72/76/35/1064727635.db2.gz WIOGLUWIXCHVSG-YWZLYKJASA-N 0 0 458.990 4.871 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)CC1 ZINC001359958289 1064727763 /nfs/dbraw/zinc/72/77/63/1064727763.db2.gz REWOQCBATNDPJY-UHFFFAOYSA-N 0 0 469.580 4.816 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001359958377 1064727872 /nfs/dbraw/zinc/72/78/72/1064727872.db2.gz UEPIVXRNODDPNA-UHFFFAOYSA-N 0 0 476.547 4.777 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001359958349 1064727933 /nfs/dbraw/zinc/72/79/33/1064727933.db2.gz SXUWIWXFOVGVPD-NHCUHLMSSA-N 0 0 474.621 4.810 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(F)c(Br)c(Cl)c1)c1ccccc1 ZINC001435369161 1064727851 /nfs/dbraw/zinc/72/78/51/1064727851.db2.gz IFDKTHICSVUGRW-HNNXBMFYSA-N 0 0 453.739 4.666 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001359958501 1064728246 /nfs/dbraw/zinc/72/82/46/1064728246.db2.gz YCLRZXIJSMKABQ-UHFFFAOYSA-N 0 0 489.636 4.564 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001359958545 1064728291 /nfs/dbraw/zinc/72/82/91/1064728291.db2.gz ZJBUMRRCPRZMKA-OZXSUGGESA-N 0 0 462.679 4.883 20 0 JJADRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001435370470 1064728274 /nfs/dbraw/zinc/72/82/74/1064728274.db2.gz SRRCYWMRBUZQAN-SFHVURJKSA-N 0 0 455.769 4.974 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001435372123 1064728288 /nfs/dbraw/zinc/72/82/88/1064728288.db2.gz VSQQTLHYUJUKEH-GOSISDBHSA-N 0 0 455.352 4.928 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001359958457 1064728373 /nfs/dbraw/zinc/72/83/73/1064728373.db2.gz XAINRCGLTWGTNI-FCHUYYIVSA-N 0 0 455.647 4.501 20 0 JJADRN Cc1nc(NC(=O)c2csc(-c3c(F)cccc3F)n2)ccc1I ZINC001435370974 1064728355 /nfs/dbraw/zinc/72/83/55/1064728355.db2.gz DGZYLOKXCDVDNF-UHFFFAOYSA-N 0 0 457.243 4.649 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001435374993 1064729126 /nfs/dbraw/zinc/72/91/26/1064729126.db2.gz UAXJMUYIZNIYPG-AVIJNYRZSA-N 0 0 451.542 4.542 20 0 JJADRN COCCCOc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC001435374555 1064729321 /nfs/dbraw/zinc/72/93/21/1064729321.db2.gz AIORJAOTHQQKNL-UHFFFAOYSA-N 0 0 452.511 4.803 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001359958826 1064729607 /nfs/dbraw/zinc/72/96/07/1064729607.db2.gz ISAQSDQQBZPKJD-JOCHJYFZSA-N 0 0 471.646 4.782 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001359958860 1064729700 /nfs/dbraw/zinc/72/97/00/1064729700.db2.gz KDUWFPNQLGNXHW-DEOSSOPVSA-N 0 0 454.659 4.910 20 0 JJADRN CCCCCCn1nc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc2c1=O ZINC001435376722 1064730119 /nfs/dbraw/zinc/73/01/19/1064730119.db2.gz RBCDVMKKBBRWOL-LJQANCHMSA-N 0 0 452.986 4.639 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)n(Cc2ccccn2)n1 ZINC001435377551 1064730172 /nfs/dbraw/zinc/73/01/72/1064730172.db2.gz FLQLCMUTVZRDTL-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001435377437 1064730556 /nfs/dbraw/zinc/73/05/56/1064730556.db2.gz NRUVYWLXCHFVCB-UHFFFAOYSA-N 0 0 458.580 4.742 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1cnn(Cc2ccccc2)c1Br ZINC001435378209 1064730623 /nfs/dbraw/zinc/73/06/23/1064730623.db2.gz XJCNEFCUPZCOGI-UHFFFAOYSA-N 0 0 453.365 4.747 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC3CC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001359959043 1064730739 /nfs/dbraw/zinc/73/07/39/1064730739.db2.gz PARQMAVVEUREGS-UHFFFAOYSA-N 0 0 465.564 4.919 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccnn2)CC1 ZINC001359959155 1064730765 /nfs/dbraw/zinc/73/07/65/1064730765.db2.gz SYACHFGIKWIIAX-UHFFFAOYSA-N 0 0 491.684 4.812 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001359959224 1064731247 /nfs/dbraw/zinc/73/12/47/1064731247.db2.gz VJLLKVVFCFYFOI-IYBDPMFKSA-N 0 0 470.481 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)ccc21 ZINC001435380758 1064731262 /nfs/dbraw/zinc/73/12/62/1064731262.db2.gz QBPCOJLGQYCQPE-HKBQPEDESA-N 0 0 454.470 4.864 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCCC3)c2)n1 ZINC001435382890 1064731813 /nfs/dbraw/zinc/73/18/13/1064731813.db2.gz VBDIXDJKVHRKHJ-QFIPXVFZSA-N 0 0 455.603 4.745 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC001359960287 1064732230 /nfs/dbraw/zinc/73/22/30/1064732230.db2.gz LZAHQYGSRCSRAE-WOJBJXKFSA-N 0 0 452.620 4.910 20 0 JJADRN Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001435383400 1064732474 /nfs/dbraw/zinc/73/24/74/1064732474.db2.gz COKFOKMYEARRMM-INIZCTEOSA-N 0 0 452.505 4.654 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NCC2(Sc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC001359960701 1064732724 /nfs/dbraw/zinc/73/27/24/1064732724.db2.gz YCBOPOZPGGNIBP-VWNXMTODSA-N 0 0 452.620 4.826 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)Cc2csc(-c3ccc(C)o3)n2)n1 ZINC001435384309 1064732743 /nfs/dbraw/zinc/73/27/43/1064732743.db2.gz GCJKNWNBKDMKJK-UHFFFAOYSA-N 0 0 458.927 4.785 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NCC2(Sc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC001359960700 1064732847 /nfs/dbraw/zinc/73/28/47/1064732847.db2.gz YCBOPOZPGGNIBP-UPVQGACJSA-N 0 0 452.620 4.826 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359961000 1064733162 /nfs/dbraw/zinc/73/31/62/1064733162.db2.gz KQWCYQXPQYJVRA-VQTJNVASSA-N 0 0 498.594 4.682 20 0 JJADRN C[C@H](CC(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001435385171 1064733461 /nfs/dbraw/zinc/73/34/61/1064733461.db2.gz JIQOQGGUQWLBRC-BEFAXECRSA-N 0 0 457.489 4.554 20 0 JJADRN 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COc1cccc(/C=C(\C(=O)Nc2cccc(COc3ccccc3)c2C)n2nnnc2C)c1 ZINC001435443554 1064759637 /nfs/dbraw/zinc/75/96/37/1064759637.db2.gz NBVXBVDAJDGAPI-PCLIKHOPSA-N 0 0 455.518 4.514 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001435443134 1064759723 /nfs/dbraw/zinc/75/97/23/1064759723.db2.gz ZKXDUBCUSYUAIR-UHFFFAOYSA-N 0 0 453.370 4.857 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001435444061 1064760184 /nfs/dbraw/zinc/76/01/84/1064760184.db2.gz SGUFIVQHLCZJGM-CHWSQXEVSA-N 0 0 458.805 4.770 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NC1CCCCC1)C(C)C ZINC001359983414 1064760390 /nfs/dbraw/zinc/76/03/90/1064760390.db2.gz PMXYGGJCRGGSDR-IBGZPJMESA-N 0 0 459.610 4.877 20 0 JJADRN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1(C)C ZINC001435444739 1064760903 /nfs/dbraw/zinc/76/09/03/1064760903.db2.gz VEOCLVJRHAHVJI-XZOQPEGZSA-N 0 0 458.624 4.568 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CC1)C(C)C ZINC001359983616 1064760783 /nfs/dbraw/zinc/76/07/83/1064760783.db2.gz ULFYNORKVKAUGQ-QGZVFWFLSA-N 0 0 469.051 4.520 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)C(C)C ZINC001359983606 1064760862 /nfs/dbraw/zinc/76/08/62/1064760862.db2.gz UCJPCFIKLRWTKJ-LJQANCHMSA-N 0 0 454.594 4.937 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CC1)C(C)C ZINC001359983615 1064760891 /nfs/dbraw/zinc/76/08/91/1064760891.db2.gz ULFYNORKVKAUGQ-KRWDZBQOSA-N 0 0 469.051 4.520 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)NC(=O)OC(C)(C)C ZINC001435446121 1064761902 /nfs/dbraw/zinc/76/19/02/1064761902.db2.gz PSOZNIQJQJNCEV-WMLDXEAASA-N 0 0 450.967 4.897 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1c2ccccc2C[C@@H]1C)C(C)C ZINC001359984547 1064762018 /nfs/dbraw/zinc/76/20/18/1064762018.db2.gz AGSSPZZMDPLGIN-CUNXSJBXSA-N 0 0 469.674 4.641 20 0 JJADRN CN(C)c1nc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)s1 ZINC001435447025 1064762548 /nfs/dbraw/zinc/76/25/48/1064762548.db2.gz DQOYAHGBEDIKCN-UHFFFAOYSA-N 0 0 455.392 4.760 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H](Cc2ccccc2)OC)c2ccccc2)cc1Br ZINC001359984820 1064762817 /nfs/dbraw/zinc/76/28/17/1064762817.db2.gz MDUHQXLJJDHAJT-GOTSBHOMSA-N 0 0 454.364 4.921 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)C(=O)OC(C)(C)C ZINC001435448234 1064762974 /nfs/dbraw/zinc/76/29/74/1064762974.db2.gz PXVNQXDCKJAASC-GOSISDBHSA-N 0 0 450.988 4.884 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 ZINC001435447760 1064763037 /nfs/dbraw/zinc/76/30/37/1064763037.db2.gz NKNJLIBFKFSWSH-UHFFFAOYSA-N 0 0 455.967 4.722 20 0 JJADRN O=C(NCc1cccs1)c1cc(NC(=O)c2ccccc2N2CCCC2=O)ccc1Cl ZINC001435447663 1064763064 /nfs/dbraw/zinc/76/30/64/1064763064.db2.gz LIDHTALGWGKHEA-UHFFFAOYSA-N 0 0 453.951 4.711 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc2c(c1)OCO2 ZINC001435449337 1064763452 /nfs/dbraw/zinc/76/34/52/1064763452.db2.gz XGBSWRPUMBAVDI-UHFFFAOYSA-N 0 0 456.951 4.977 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001435449110 1064763715 /nfs/dbraw/zinc/76/37/15/1064763715.db2.gz KAFVLMCLAJNHCK-FQEVSTJZSA-N 0 0 454.448 4.992 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)Nc1ccccc1)C(C)C ZINC001359985346 1064764266 /nfs/dbraw/zinc/76/42/66/1064764266.db2.gz KOAYKUAIUFPLFR-UHFFFAOYSA-N 0 0 473.419 4.935 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1ccco1)C(C)C ZINC001359985487 1064764429 /nfs/dbraw/zinc/76/44/29/1064764429.db2.gz MHRWAXUDZQDJEX-UHFFFAOYSA-N 0 0 474.403 4.601 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCOc3c(Cl)cccc32)C1 ZINC001435450372 1064764645 /nfs/dbraw/zinc/76/46/45/1064764645.db2.gz OCHPENNAFLWEET-CQSZACIVSA-N 0 0 453.753 4.925 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccnc(N2CCC[C@H](C)C2)c1)c1cc(Cl)cc(Cl)c1 ZINC001435451372 1064764773 /nfs/dbraw/zinc/76/47/73/1064764773.db2.gz MKLDXBCLJBAFSN-HNNXBMFYSA-N 0 0 450.366 4.835 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSC(F)(F)F)C1CCCC1 ZINC001359985826 1064764798 /nfs/dbraw/zinc/76/47/98/1064764798.db2.gz RDTBOHGSZLTLLC-UHFFFAOYSA-N 0 0 480.564 4.579 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NCC(F)(F)F)C1CCCC1 ZINC001359985957 1064765249 /nfs/dbraw/zinc/76/52/49/1064765249.db2.gz SQKCXSSTCSBABU-UHFFFAOYSA-N 0 0 475.918 4.821 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCO[C@@H]1C)C(C)C ZINC001359985930 1064765330 /nfs/dbraw/zinc/76/53/30/1064765330.db2.gz RZQREKHCSIMDNZ-VFNWGFHPSA-N 0 0 485.854 4.772 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N1CCOCC1)C1CCCC1 ZINC001359985960 1064765461 /nfs/dbraw/zinc/76/54/61/1064765461.db2.gz SROUVHVSNBEZGL-KRWDZBQOSA-N 0 0 496.519 4.895 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccsc1)C1CCCC1 ZINC001359986021 1064765863 /nfs/dbraw/zinc/76/58/63/1064765863.db2.gz VIGFAPNERCFELJ-UHFFFAOYSA-N 0 0 487.695 4.710 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435453875 1064766049 /nfs/dbraw/zinc/76/60/49/1064766049.db2.gz AILTXHBKRWVCPX-UXHICEINSA-N 0 0 456.455 4.750 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCS1(=O)=O)C(C)C ZINC001359986046 1064766048 /nfs/dbraw/zinc/76/60/48/1064766048.db2.gz WLHDPDDPTFKIPN-IBGZPJMESA-N 0 0 483.476 4.546 20 0 JJADRN CN(C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)nn1 ZINC001435454754 1064766672 /nfs/dbraw/zinc/76/66/72/1064766672.db2.gz UKUWJQPWQHONES-FQEVSTJZSA-N 0 0 455.345 4.718 20 0 JJADRN CCCOc1ccc(CNC(=O)c2cc(-c3cnc4[nH]ccc4c3)ccn2)c(OC(F)F)c1 ZINC001435455139 1064767117 /nfs/dbraw/zinc/76/71/17/1064767117.db2.gz SOZNKACHNYFSRW-UHFFFAOYSA-N 0 0 452.461 4.897 20 0 JJADRN CCC1(CC)CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)c2ccc(Br)cc21 ZINC001435454913 1064767197 /nfs/dbraw/zinc/76/71/97/1064767197.db2.gz GPHLKPOPTVUWOZ-UHFFFAOYSA-N 0 0 457.290 4.734 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)Oc1cccc(Cl)c1 ZINC001435455686 1064767319 /nfs/dbraw/zinc/76/73/19/1064767319.db2.gz UCSKSBKZFUHMEC-DRMXPCRNSA-N 0 0 469.969 4.586 20 0 JJADRN CC(C)CN(c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCCOC(C)C)C1CCCC1 ZINC001359986835 1064767493 /nfs/dbraw/zinc/76/74/93/1064767493.db2.gz BPTBANNJSOWBNZ-UHFFFAOYSA-N 0 0 452.603 4.814 20 0 JJADRN CCC1(CC)CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)c2ccc(Br)cc21 ZINC001435457129 1064767648 /nfs/dbraw/zinc/76/76/48/1064767648.db2.gz XRLCCLVANYUMKQ-UHFFFAOYSA-N 0 0 450.398 4.879 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001359988551 1064769078 /nfs/dbraw/zinc/76/90/78/1064769078.db2.gz JODKOMODGFTKDE-UGSOOPFHSA-N 0 0 459.296 4.724 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1Br ZINC001359988500 1064769103 /nfs/dbraw/zinc/76/91/03/1064769103.db2.gz HVFNCJWANWTZSV-UHFFFAOYSA-N 0 0 453.745 4.549 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2 ZINC001359988101 1064769292 /nfs/dbraw/zinc/76/92/92/1064769292.db2.gz SIBSCJLFEVQYLR-INIZCTEOSA-N 0 0 453.583 4.975 20 0 JJADRN CC(C)CN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nccn1C(F)F)C(C)C ZINC001359989041 1064769672 /nfs/dbraw/zinc/76/96/72/1064769672.db2.gz CLXPEYLEGFAOQX-UHFFFAOYSA-N 0 0 495.619 4.903 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(F)(F)F ZINC001435460731 1064770107 /nfs/dbraw/zinc/77/01/07/1064770107.db2.gz MIRSMNMYDGJDMY-PKOBYXMFSA-N 0 0 455.477 4.525 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2nccn2C1)C(C)C ZINC001359989261 1064770376 /nfs/dbraw/zinc/77/03/76/1064770376.db2.gz HQRJFQFEANZDHJ-FGZHOGPDSA-N 0 0 499.704 4.723 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC001359989375 1064770474 /nfs/dbraw/zinc/77/04/74/1064770474.db2.gz KIILTUQYSQZMRC-QHCPKHFHSA-N 0 0 454.663 4.723 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](OC(=O)C1CCN(c2nc3ccccc3s2)CC1)C(F)(F)F ZINC001435461425 1064770623 /nfs/dbraw/zinc/77/06/23/1064770623.db2.gz OWLMVSNZXBIKGH-SFHVURJKSA-N 0 0 452.502 4.710 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)O[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 ZINC001435461467 1064770725 /nfs/dbraw/zinc/77/07/25/1064770725.db2.gz PEJHAMSVDLHHLJ-NRFANRHFSA-N 0 0 451.445 4.610 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1F)C(C)C ZINC001359989620 1064770801 /nfs/dbraw/zinc/77/08/01/1064770801.db2.gz BUIDZRTZCKAQAZ-OAQYLSRUSA-N 0 0 493.599 4.784 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2I)c1C ZINC001435461975 1064771177 /nfs/dbraw/zinc/77/11/77/1064771177.db2.gz MXNASTAVQGEIED-UHFFFAOYSA-N 0 0 459.711 4.921 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC001435461861 1064771371 /nfs/dbraw/zinc/77/13/71/1064771371.db2.gz RMDUMUULKQZXIZ-HXUWFJFHSA-N 0 0 454.880 4.882 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC001435462396 1064771746 /nfs/dbraw/zinc/77/17/46/1064771746.db2.gz CNAFXJKGGQLUTH-JPYJTQIMSA-N 0 0 454.567 4.760 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)COc2ccccc2C(F)(F)F)cc1 ZINC001435463133 1064772381 /nfs/dbraw/zinc/77/23/81/1064772381.db2.gz NCDQFQVGMCPIJN-OAHLLOKOSA-N 0 0 452.473 4.986 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001435463029 1064772392 /nfs/dbraw/zinc/77/23/92/1064772392.db2.gz LUPKFPYOATYGBE-LJQANCHMSA-N 0 0 457.368 4.542 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)CC2=O)cc1 ZINC001435463300 1064772741 /nfs/dbraw/zinc/77/27/41/1064772741.db2.gz IAXCNTKZGZAWNO-GOSISDBHSA-N 0 0 458.480 4.773 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2s1)C(C)C ZINC001359991093 1064772796 /nfs/dbraw/zinc/77/27/96/1064772796.db2.gz VTVCTWUWDQAFBP-IBGZPJMESA-N 0 0 460.669 4.508 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCSC1)C(C)C ZINC001359990854 1064772806 /nfs/dbraw/zinc/77/28/06/1064772806.db2.gz RHSUFZHJYCTDIS-VQTJNVASSA-N 0 0 481.707 4.601 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC001435463441 1064772890 /nfs/dbraw/zinc/77/28/90/1064772890.db2.gz QVZYUDXAQYAWJU-MRXNPFEDSA-N 0 0 452.580 4.650 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)COC2)C(C)C ZINC001359991211 1064773059 /nfs/dbraw/zinc/77/30/59/1064773059.db2.gz WFSLXVZSGKJUOK-HSZRJFAPSA-N 0 0 499.656 4.536 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC001435464540 1064773129 /nfs/dbraw/zinc/77/31/29/1064773129.db2.gz RDQNGTQPBLERGJ-JOCHJYFZSA-N 0 0 450.336 4.770 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC001359991352 1064773259 /nfs/dbraw/zinc/77/32/59/1064773259.db2.gz XZMIBTBYQKFWQN-UHFFFAOYSA-N 0 0 470.662 4.926 20 0 JJADRN O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001435465335 1064773378 /nfs/dbraw/zinc/77/33/78/1064773378.db2.gz XZLRRARGQPRMFY-UHFFFAOYSA-N 0 0 454.357 4.923 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1 ZINC001359991646 1064773821 /nfs/dbraw/zinc/77/38/21/1064773821.db2.gz ZTCVUXUABXTFGQ-QHCPKHFHSA-N 0 0 451.673 4.887 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(Cl)ccc1I ZINC001435465519 1064773785 /nfs/dbraw/zinc/77/37/85/1064773785.db2.gz YZOIVUCKLCEGQL-OAHLLOKOSA-N 0 0 454.739 4.815 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc21)NCCc1nc2cc(Cl)ccc2s1 ZINC001435466552 1064774353 /nfs/dbraw/zinc/77/43/53/1064774353.db2.gz CEKWSSIVNGUNPA-UHFFFAOYSA-N 0 0 450.745 4.755 20 0 JJADRN CC(C)CN(c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)C(C)(C)C)C1CCCC1 ZINC001359992111 1064774571 /nfs/dbraw/zinc/77/45/71/1064774571.db2.gz NDEPFGBCJPUHDE-UHFFFAOYSA-N 0 0 485.698 4.899 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001435467662 1064774924 /nfs/dbraw/zinc/77/49/24/1064774924.db2.gz QKJHLFKDOJFZHP-UTKZUKDTSA-N 0 0 454.567 4.943 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)Cn2cccc(C(F)(F)F)c2=O)nc1-c1ccc(Cl)cc1 ZINC001435468824 1064775418 /nfs/dbraw/zinc/77/54/18/1064775418.db2.gz BPNHOKWWWNAOOJ-LLVKDONJSA-N 0 0 455.889 4.830 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 ZINC001435468182 1064775535 /nfs/dbraw/zinc/77/55/35/1064775535.db2.gz YHUUWHUFUCDISU-IFMALSPDSA-N 0 0 454.567 4.699 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC1(C(=O)N(C)C)CCCC1)C(C)C ZINC001359992911 1064775449 /nfs/dbraw/zinc/77/54/49/1064775449.db2.gz IGTPGHXJNAYNDL-UHFFFAOYSA-N 0 0 459.610 4.516 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCCCO1)C1CCCC1 ZINC001359992958 1064775485 /nfs/dbraw/zinc/77/54/85/1064775485.db2.gz ITTAWQCUSSXAQI-FQEVSTJZSA-N 0 0 459.660 4.634 20 0 JJADRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001359992953 1064775677 /nfs/dbraw/zinc/77/56/77/1064775677.db2.gz LBAQFHRMSZSLOE-HNNXBMFYSA-N 0 0 454.379 4.563 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1 ZINC001435468846 1064775846 /nfs/dbraw/zinc/77/58/46/1064775846.db2.gz KKMGTPZQKWUZRT-OAQYLSRUSA-N 0 0 459.633 4.991 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC001435469660 1064775881 /nfs/dbraw/zinc/77/58/81/1064775881.db2.gz DTKVQRGLRIIBFB-UHFFFAOYSA-N 0 0 451.737 4.829 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c(Br)c1 ZINC001435468962 1064776100 /nfs/dbraw/zinc/77/61/00/1064776100.db2.gz AEIGLUTZOSOIEW-OAHLLOKOSA-N 0 0 459.315 4.513 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C)C(C)C ZINC001359993035 1064775977 /nfs/dbraw/zinc/77/59/77/1064775977.db2.gz KJUCWOOMZUVBAS-QFIPXVFZSA-N 0 0 485.677 4.730 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]1C ZINC001359993087 1064776153 /nfs/dbraw/zinc/77/61/53/1064776153.db2.gz MWDDGVLIZFLKIB-VCBZYWHSSA-N 0 0 494.865 4.964 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 ZINC001492596750 1064776882 /nfs/dbraw/zinc/77/68/82/1064776882.db2.gz NNWHDAVYGHRXPC-MRXNPFEDSA-N 0 0 499.438 4.971 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc(C(C)C)n1Cc1nncn1C ZINC001359993402 1064777218 /nfs/dbraw/zinc/77/72/18/1064777218.db2.gz UGXYUZWHSUIYNW-UHFFFAOYSA-N 0 0 480.842 4.657 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1C)C(C)C ZINC001359993494 1064777327 /nfs/dbraw/zinc/77/73/27/1064777327.db2.gz UJWCYRUJWYJFGC-HKBOAZHASA-N 0 0 463.667 4.894 20 0 JJADRN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001435472020 1064777407 /nfs/dbraw/zinc/77/74/07/1064777407.db2.gz RMBYEDVARWYWAP-UHFFFAOYSA-N 0 0 457.292 4.781 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@@H]2CCOC2)n1CC(C)(C)O ZINC001359993562 1064777600 /nfs/dbraw/zinc/77/76/00/1064777600.db2.gz XURUTQDTLPMPOX-OAHLLOKOSA-N 0 0 485.854 4.631 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)OCCc2sccc21)C(C)C ZINC001359993612 1064777813 /nfs/dbraw/zinc/77/78/13/1064777813.db2.gz ZRUJSWZLHHRARS-XMMPIXPASA-N 0 0 487.695 4.690 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1cccc(N2CCCC2)c1 ZINC001435473486 1064778139 /nfs/dbraw/zinc/77/81/39/1064778139.db2.gz IHDSGJLIMRAJDE-MRXNPFEDSA-N 0 0 452.555 4.555 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001435474289 1064778485 /nfs/dbraw/zinc/77/84/85/1064778485.db2.gz RKGUXIAUICEZSM-NWDGAFQWSA-N 0 0 459.153 4.865 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001359994821 1064778756 /nfs/dbraw/zinc/77/87/56/1064778756.db2.gz HEBFSQKZMSNZTJ-MRXNPFEDSA-N 0 0 474.968 4.704 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)Cc1noc2ccc(Br)cc12 ZINC001435475143 1064779171 /nfs/dbraw/zinc/77/91/71/1064779171.db2.gz LGXDJDLTDYOZCY-UHFFFAOYSA-N 0 0 454.118 4.933 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC001435475307 1064779243 /nfs/dbraw/zinc/77/92/43/1064779243.db2.gz ZWVVSBBLWQIVOQ-HXPMCKFVSA-N 0 0 455.755 4.556 20 0 JJADRN O=C(N[C@@H](CCCCc1ccccc1)c1ccccc1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001435475060 1064779254 /nfs/dbraw/zinc/77/92/54/1064779254.db2.gz MHKFNNZNRSHTBZ-VWLOTQADSA-N 0 0 455.558 4.729 20 0 JJADRN CC(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001359995175 1064779813 /nfs/dbraw/zinc/77/98/13/1064779813.db2.gz ZOUROKIBRRQHDX-UHFFFAOYSA-N 0 0 474.378 4.946 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OC(=O)CCCCOc1ccc(Br)cc1 ZINC001435476953 1064780301 /nfs/dbraw/zinc/78/03/01/1064780301.db2.gz LDGIKDXKEZUXJC-UHFFFAOYSA-N 0 0 451.313 4.824 20 0 JJADRN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001359995480 1064781056 /nfs/dbraw/zinc/78/10/56/1064781056.db2.gz UQEBUIQDBLJWOO-MRXNPFEDSA-N 0 0 451.384 4.756 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(OC(C)C)c1 ZINC001435478600 1064781188 /nfs/dbraw/zinc/78/11/88/1064781188.db2.gz IBUVDPYXOXMJHQ-JOCHJYFZSA-N 0 0 451.394 4.779 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 ZINC001435479316 1064781606 /nfs/dbraw/zinc/78/16/06/1064781606.db2.gz VZUSQMUJHHISFZ-NSHDSACASA-N 0 0 456.014 4.854 20 0 JJADRN Cc1noc(COc2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)cn2)n1 ZINC001435479838 1064781737 /nfs/dbraw/zinc/78/17/37/1064781737.db2.gz PWBKDIIUZBTNKK-UHFFFAOYSA-N 0 0 452.873 4.742 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)N1CCOCC1 ZINC001359997112 1064782151 /nfs/dbraw/zinc/78/21/51/1064782151.db2.gz NDIJYGMVBIEDDU-AUSIDOKSSA-N 0 0 459.631 4.882 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001435480364 1064782309 /nfs/dbraw/zinc/78/23/09/1064782309.db2.gz VBKKIBATTWJAHU-DEOSSOPVSA-N 0 0 452.476 4.862 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Oc3ccc(F)cc3)nc2)c(C)c1 ZINC001359996857 1064782212 /nfs/dbraw/zinc/78/22/12/1064782212.db2.gz ZKCFSQPOAMXCNJ-OAQYLSRUSA-N 0 0 451.523 4.784 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001435481676 1064782384 /nfs/dbraw/zinc/78/23/84/1064782384.db2.gz JCMGZXJLUFDCJC-VRBBWPEWSA-N 0 0 450.982 4.583 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001359997828 1064783451 /nfs/dbraw/zinc/78/34/51/1064783451.db2.gz BBJAOAVHVWCXKA-IBGZPJMESA-N 0 0 464.614 4.633 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001435484787 1064784315 /nfs/dbraw/zinc/78/43/15/1064784315.db2.gz PKQDSNKIPNJTLZ-QBOMHBFWSA-N 0 0 457.324 4.613 20 0 JJADRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001359998444 1064784508 /nfs/dbraw/zinc/78/45/08/1064784508.db2.gz IHOGFVMQMMSPDS-AWEZNQCLSA-N 0 0 458.527 4.744 20 0 JJADRN O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cc(Br)c2ccccc2c1 ZINC001359998698 1064784736 /nfs/dbraw/zinc/78/47/36/1064784736.db2.gz KVDSPBWXPBZHCM-IBGZPJMESA-N 0 0 459.340 4.895 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)Nc1cccn(Cc2ccccc2)c1=O ZINC001435485349 1064784799 /nfs/dbraw/zinc/78/47/99/1064784799.db2.gz UDLRCLHXNTUKGM-UHFFFAOYSA-N 0 0 452.601 4.783 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001435486929 1064785354 /nfs/dbraw/zinc/78/53/54/1064785354.db2.gz DEVUDABMOJINLP-UHFFFAOYSA-N 0 0 450.373 4.647 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc1 ZINC001435486694 1064785393 /nfs/dbraw/zinc/78/53/93/1064785393.db2.gz NAYZXGBFCJIGPA-UHFFFAOYSA-N 0 0 459.523 4.894 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2C(N)=O)C1 ZINC001435486704 1064785462 /nfs/dbraw/zinc/78/54/62/1064785462.db2.gz NDJDPMKTCYMMEI-UHFFFAOYSA-N 0 0 453.589 4.928 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)cc1OCC ZINC001359999703 1064785902 /nfs/dbraw/zinc/78/59/02/1064785902.db2.gz XICUJDQJTSVSSL-OAQYLSRUSA-N 0 0 456.608 4.655 20 0 JJADRN COCCOCc1cc(C(=O)Nc2cc(Br)ccc2N2CCCC2)ccc1F ZINC001435487706 1064785883 /nfs/dbraw/zinc/78/58/83/1064785883.db2.gz MIAOXDQMBVBICZ-UHFFFAOYSA-N 0 0 451.336 4.604 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1nc(Br)ccc1Br)CCC2 ZINC001435488083 1064785910 /nfs/dbraw/zinc/78/59/10/1064785910.db2.gz JGCNNRXPDBTJFH-LLVKDONJSA-N 0 0 459.207 4.775 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)CCC2 ZINC001435487767 1064785995 /nfs/dbraw/zinc/78/59/95/1064785995.db2.gz FMSFDLALMSTHQH-SJKOYZFVSA-N 0 0 452.407 4.901 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC001435488209 1064786087 /nfs/dbraw/zinc/78/60/87/1064786087.db2.gz CQHQDZPMYMQTCL-UHFFFAOYSA-N 0 0 450.539 4.765 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001359999430 1064786084 /nfs/dbraw/zinc/78/60/84/1064786084.db2.gz RIKDKNCKDDZGFM-JOCHJYFZSA-N 0 0 458.027 4.695 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC001435488378 1064786306 /nfs/dbraw/zinc/78/63/06/1064786306.db2.gz UEIZHOHISZWEHQ-UHFFFAOYSA-N 0 0 452.576 4.963 20 0 JJADRN CC(NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)(c1ccccc1)c1ccccc1 ZINC001360000265 1064786497 /nfs/dbraw/zinc/78/64/97/1064786497.db2.gz JVHZMBBNHPPAMD-UHFFFAOYSA-N 0 0 453.325 4.669 20 0 JJADRN CC(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000145 1064786526 /nfs/dbraw/zinc/78/65/26/1064786526.db2.gz APBDHVOXQVCMFI-DLBZAZTESA-N 0 0 463.573 4.543 20 0 JJADRN CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000400 1064786539 /nfs/dbraw/zinc/78/65/39/1064786539.db2.gz JEYRSQXUHQJRFV-ICSRJNTNSA-N 0 0 459.610 4.794 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCc2ccc(C)cc2Oc2ccccc2)C1 ZINC001435488999 1064786422 /nfs/dbraw/zinc/78/64/22/1064786422.db2.gz LHRJKYMPUJXNHY-QFQXNSOFSA-N 0 0 454.567 4.818 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001360001057 1064786834 /nfs/dbraw/zinc/78/68/34/1064786834.db2.gz CORYICGDTRUYRE-FCHUYYIVSA-N 0 0 483.657 4.954 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC001435490293 1064787033 /nfs/dbraw/zinc/78/70/33/1064787033.db2.gz DMMPQLSELXLXHG-HSZRJFAPSA-N 0 0 458.949 4.598 20 0 JJADRN COC[C@]1(C(=O)NCc2ccc(C)cc2Oc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435489309 1064787045 /nfs/dbraw/zinc/78/70/45/1064787045.db2.gz MWJPTIIORCVMIR-SANMLTNESA-N 0 0 454.567 4.677 20 0 JJADRN Cc1cn(C(C)(C)C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nc1C(F)(F)F ZINC001435490210 1064787067 /nfs/dbraw/zinc/78/70/67/1064787067.db2.gz VSSZOQQPXOVBBU-UHFFFAOYSA-N 0 0 454.493 4.651 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360000990 1064786908 /nfs/dbraw/zinc/78/69/08/1064786908.db2.gz BQFYFKIKIUQKLT-GOSISDBHSA-N 0 0 489.583 4.596 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001360001060 1064787055 /nfs/dbraw/zinc/78/70/55/1064787055.db2.gz CORYICGDTRUYRE-YADHBBJMSA-N 0 0 483.657 4.954 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360001088 1064787065 /nfs/dbraw/zinc/78/70/65/1064787065.db2.gz DVAUPDHLKPUPKO-INIZCTEOSA-N 0 0 457.541 4.747 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001360001371 1064787415 /nfs/dbraw/zinc/78/74/15/1064787415.db2.gz LOEUODZBZDBPKB-UHFFFAOYSA-N 0 0 497.684 4.925 20 0 JJADRN CN(C)c1cccc(CN(C)C(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1 ZINC001435491735 1064787430 /nfs/dbraw/zinc/78/74/30/1064787430.db2.gz PZIUGOANMRJYHJ-JOCHJYFZSA-N 0 0 451.611 4.969 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 ZINC001435493490 1064787944 /nfs/dbraw/zinc/78/79/44/1064787944.db2.gz XXHCBYZWVHNSHD-UHFFFAOYSA-N 0 0 452.557 4.939 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2Br)cc1 ZINC001435492425 1064788005 /nfs/dbraw/zinc/78/80/05/1064788005.db2.gz ZQXFQXMZSARACZ-UHFFFAOYSA-N 0 0 454.386 4.617 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC001435494364 1064788524 /nfs/dbraw/zinc/78/85/24/1064788524.db2.gz FQGHKCYLDOMTFG-GOSISDBHSA-N 0 0 456.608 4.762 20 0 JJADRN CC(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360003078 1064789182 /nfs/dbraw/zinc/78/91/82/1064789182.db2.gz FKFKGONNUVNKIN-UHFFFAOYSA-N 0 0 459.417 4.633 20 0 JJADRN CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cnn(-c4ccccc4S(C)(=O)=O)c3)ccc21 ZINC001360002878 1064789226 /nfs/dbraw/zinc/78/92/26/1064789226.db2.gz RKKAAKNFUBQAEM-UHFFFAOYSA-N 0 0 451.592 4.877 20 0 JJADRN COc1cc(C)ccc1CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001435495767 1064789426 /nfs/dbraw/zinc/78/94/26/1064789426.db2.gz TZPAVZRSKOCGJO-UHFFFAOYSA-N 0 0 451.567 4.803 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3cccc(Cl)c3)s2)cc1 ZINC001360003922 1064789739 /nfs/dbraw/zinc/78/97/39/1064789739.db2.gz YPNCOPMMEXKTCF-QGZVFWFLSA-N 0 0 459.980 4.626 20 0 JJADRN CCC(CC)(CNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001360004205 1064790279 /nfs/dbraw/zinc/79/02/79/1064790279.db2.gz HQECEAWOWIZJON-CVDCTZTESA-N 0 0 453.023 4.929 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC001435498076 1064790575 /nfs/dbraw/zinc/79/05/75/1064790575.db2.gz OUBRRNLAHAIVKT-UHFFFAOYSA-N 0 0 457.310 4.893 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001435498115 1064790795 /nfs/dbraw/zinc/79/07/95/1064790795.db2.gz WEXZAZMXNCRVCN-NSHDSACASA-N 0 0 455.376 4.551 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001360004269 1064790739 /nfs/dbraw/zinc/79/07/39/1064790739.db2.gz GKYUPSUGPMRSME-IBGZPJMESA-N 0 0 472.062 4.775 20 0 JJADRN CCC(CC)(CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C)c1ccc(Cl)cc1 ZINC001360004379 1064790807 /nfs/dbraw/zinc/79/08/07/1064790807.db2.gz JQXHDWILHIFVBT-JCMHNJIXSA-N 0 0 453.974 4.516 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)Cn1ncc2cccnc21 ZINC001435498879 1064791287 /nfs/dbraw/zinc/79/12/87/1064791287.db2.gz RHAFRMYCYJCXHP-GFCCVEGCSA-N 0 0 456.369 4.503 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)Cn1ncc2cccnc21 ZINC001435498882 1064791321 /nfs/dbraw/zinc/79/13/21/1064791321.db2.gz RHAFRMYCYJCXHP-LBPRGKRZSA-N 0 0 456.369 4.503 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435498681 1064791349 /nfs/dbraw/zinc/79/13/49/1064791349.db2.gz BDGXYZHDQWUDPW-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001360004539 1064791253 /nfs/dbraw/zinc/79/12/53/1064791253.db2.gz NWWSYUVPRONMBV-FQEVSTJZSA-N 0 0 450.631 4.613 20 0 JJADRN O=C(NCc1cccc2c1OCCCO2)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001435500964 1064791672 /nfs/dbraw/zinc/79/16/72/1064791672.db2.gz AZJSZIXPNZRKCI-UHFFFAOYSA-N 0 0 455.308 4.728 20 0 JJADRN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC001360004923 1064791893 /nfs/dbraw/zinc/79/18/93/1064791893.db2.gz VRNOJLJABIXDDL-QGZVFWFLSA-N 0 0 458.967 4.630 20 0 JJADRN CC(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435502335 1064792157 /nfs/dbraw/zinc/79/21/57/1064792157.db2.gz JRBSCWJFNFQICD-ROUUACIJSA-N 0 0 453.396 4.868 20 0 JJADRN CC(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435502334 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1064792842 /nfs/dbraw/zinc/79/28/42/1064792842.db2.gz IFFDSXFUCIPNRG-JAXLGGSGSA-N 0 0 499.631 4.943 20 0 JJADRN CC(C)C1CCC(CNC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC1 ZINC001435503707 1064792825 /nfs/dbraw/zinc/79/28/25/1064792825.db2.gz OICPIUDMKPQYMW-UHFFFAOYSA-N 0 0 453.612 4.652 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3cccc(Cl)c3F)no2)cc1C ZINC001360006045 1064793071 /nfs/dbraw/zinc/79/30/71/1064793071.db2.gz BCGSLBVOBIYPJI-SFHVURJKSA-N 0 0 459.930 4.905 20 0 JJADRN CC(C)Cn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001360006402 1064793318 /nfs/dbraw/zinc/79/33/18/1064793318.db2.gz OXRUORAGRZUCCT-UHFFFAOYSA-N 0 0 453.631 4.898 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2ccc(OC(F)(F)F)cc2)cc1C ZINC001360006731 1064793475 /nfs/dbraw/zinc/79/34/75/1064793475.db2.gz JREMDGRKUFPTKF-IBGZPJMESA-N 0 0 452.498 4.675 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360006321 1064793487 /nfs/dbraw/zinc/79/34/87/1064793487.db2.gz MZSLJDIQKJMSID-OAHLLOKOSA-N 0 0 461.985 4.953 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001360006474 1064793534 /nfs/dbraw/zinc/79/35/34/1064793534.db2.gz QEMHDCYXCFUDHP-UWUNEBHHSA-N 0 0 490.446 4.988 20 0 JJADRN O=C(Cc1ccc(I)cc1)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001360006893 1064793838 /nfs/dbraw/zinc/79/38/38/1064793838.db2.gz KWQNTPAHGLWUJR-UHFFFAOYSA-N 0 0 453.663 4.886 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001360006769 1064794036 /nfs/dbraw/zinc/79/40/36/1064794036.db2.gz WGXSECBAJFOFMS-IRFCIJBXSA-N 0 0 457.594 4.838 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001435507639 1064795048 /nfs/dbraw/zinc/79/50/48/1064795048.db2.gz CLEBKSDYYOYMLI-NRFANRHFSA-N 0 0 453.970 4.968 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3cc(I)ccc3Cl)cn2)CC1 ZINC001435508562 1064795653 /nfs/dbraw/zinc/79/56/53/1064795653.db2.gz ALFMQWZPFOMREX-UHFFFAOYSA-N 0 0 455.727 4.828 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cc1C ZINC001360007779 1064795980 /nfs/dbraw/zinc/79/59/80/1064795980.db2.gz YNCWQQGPDCLSMR-YOEHRIQHSA-N 0 0 453.391 4.918 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001435509551 1064796047 /nfs/dbraw/zinc/79/60/47/1064796047.db2.gz IEPZPNADOGUAKZ-DTWKUNHWSA-N 0 0 450.052 4.766 20 0 JJADRN COC(=O)CN(CC(C)C)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC001435510211 1064796699 /nfs/dbraw/zinc/79/66/99/1064796699.db2.gz OERSOLHBOVFEQO-UHFFFAOYSA-N 0 0 454.350 4.852 20 0 JJADRN CC(C)(C)Oc1cccc(CCC(=O)Nc2cnc(Br)c(Br)c2)n1 ZINC001435510378 1064797102 /nfs/dbraw/zinc/79/71/02/1064797102.db2.gz SRECGLILTLXSSB-UHFFFAOYSA-N 0 0 457.166 4.750 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cnc(Br)c(Br)c1)C(C)(C)C ZINC001435510355 1064797264 /nfs/dbraw/zinc/79/72/64/1064797264.db2.gz SHIUIGFGKIIZJD-LLVKDONJSA-N 0 0 450.171 4.549 20 0 JJADRN COC(=O)CC(C)(C)CC(=O)Nc1cc(C(=O)OC)ccc1Sc1ccc(Cl)cn1 ZINC001435512227 1064797741 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ZINC001360051571 1064878727 /nfs/dbraw/zinc/87/87/27/1064878727.db2.gz KCLVUWJJSAOVNA-BEFAXECRSA-N 0 0 457.372 4.976 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC001360051578 1064878754 /nfs/dbraw/zinc/87/87/54/1064878754.db2.gz KCLVUWJJSAOVNA-KXBFYZLASA-N 0 0 457.372 4.976 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001360051711 1064879338 /nfs/dbraw/zinc/87/93/38/1064879338.db2.gz FXERQJQFWGBVGT-FAYOUJPWSA-N 0 0 470.658 4.893 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001435617509 1064879642 /nfs/dbraw/zinc/87/96/42/1064879642.db2.gz IEOPPGGKXCQOAY-GFCCVEGCSA-N 0 0 450.379 4.860 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC001435617210 1064879728 /nfs/dbraw/zinc/87/97/28/1064879728.db2.gz CWXODOPIDVOGHC-DEOSSOPVSA-N 0 0 456.949 4.834 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001435617233 1064879962 /nfs/dbraw/zinc/87/99/62/1064879962.db2.gz DRYZOENKJVZOBV-FQEVSTJZSA-N 0 0 451.748 4.637 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001360052347 1064880594 /nfs/dbraw/zinc/88/05/94/1064880594.db2.gz MKZSIZLPWYPPHU-VWLOTQADSA-N 0 0 497.684 4.686 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)ccc1C(=O)NC(C)C ZINC001360052637 1064880608 /nfs/dbraw/zinc/88/06/08/1064880608.db2.gz WBMRJVXLHBNCQN-JOCHJYFZSA-N 0 0 451.567 4.954 20 0 JJADRN COc1ccc2c(c1)OC[C@H](C(=O)Nc1ncc(Cc3cccc(Br)c3)s1)C2 ZINC001360052488 1064880741 /nfs/dbraw/zinc/88/07/41/1064880741.db2.gz ROTGVJAXVWAKNH-OAHLLOKOSA-N 0 0 459.365 4.695 20 0 JJADRN CC(C)COc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360053005 1064881411 /nfs/dbraw/zinc/88/14/11/1064881411.db2.gz STNGVUDBNLKHHC-LJQANCHMSA-N 0 0 452.521 4.786 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435620221 1064881896 /nfs/dbraw/zinc/88/18/96/1064881896.db2.gz JCBAENPMVSXIKO-CYBMUJFWSA-N 0 0 450.848 4.726 20 0 JJADRN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1ccc(SC(F)(F)F)nc1 ZINC001435620169 1064882045 /nfs/dbraw/zinc/88/20/45/1064882045.db2.gz IOSWIRUBKIQMJN-AWEZNQCLSA-N 0 0 456.490 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1cn(-c2ccccc2Cl)nn1)c1ccccc1 ZINC001435621066 1064882522 /nfs/dbraw/zinc/88/25/22/1064882522.db2.gz TXUYMTPIKZZKEI-IBGZPJMESA-N 0 0 456.930 4.620 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360054337 1064882587 /nfs/dbraw/zinc/88/25/87/1064882587.db2.gz JPXSQIRULAQULQ-PMACEKPBSA-N 0 0 481.666 4.835 20 0 JJADRN CC(C)COc1ccccc1Cn1c(C2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360054687 1064883417 /nfs/dbraw/zinc/88/34/17/1064883417.db2.gz MYLJOIZJPNVJOD-UHFFFAOYSA-N 0 0 469.674 4.566 20 0 JJADRN O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001435621718 1064883439 /nfs/dbraw/zinc/88/34/39/1064883439.db2.gz PLQFQOFUAZTIAN-UHFFFAOYSA-N 0 0 453.420 4.669 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cnc3onc(C(C)C)c3c2)c1Cl ZINC001435623449 1064884001 /nfs/dbraw/zinc/88/40/01/1064884001.db2.gz ZYDCFPBIPDTIEW-UHFFFAOYSA-N 0 0 452.692 4.801 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)O[C@H](c1ccccn1)C(F)(F)F ZINC001435622379 1064884051 /nfs/dbraw/zinc/88/40/51/1064884051.db2.gz SPPGILGUCPZRMG-CQSZACIVSA-N 0 0 453.052 4.996 20 0 JJADRN Cc1c(Br)csc1C(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC001435623481 1064884155 /nfs/dbraw/zinc/88/41/55/1064884155.db2.gz ZFPUNNQNYMAECL-CYBMUJFWSA-N 0 0 454.390 4.685 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)CC[C@@H]1c1ccc(C)o1 ZINC001435622341 1064884245 /nfs/dbraw/zinc/88/42/45/1064884245.db2.gz RFUJKMULWBXGTG-HZPDHXFCSA-N 0 0 450.417 4.784 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1 ZINC001360054869 1064884125 /nfs/dbraw/zinc/88/41/25/1064884125.db2.gz OQQBMQOYTABKPX-JOCHJYFZSA-N 0 0 456.631 4.649 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)C1 ZINC001360055073 1064884218 /nfs/dbraw/zinc/88/42/18/1064884218.db2.gz PSANIEYRKDIXGK-IBGZPJMESA-N 0 0 467.639 4.589 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001360055365 1064884765 /nfs/dbraw/zinc/88/47/65/1064884765.db2.gz RZVYHGMMKGJWLN-UHFFFAOYSA-N 0 0 462.642 4.583 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@@H](CC2CCCC2)c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001435624804 1064886175 /nfs/dbraw/zinc/88/61/75/1064886175.db2.gz DYJAPOHTESHIGR-DSNGMDLFSA-N 0 0 450.579 4.850 20 0 JJADRN O=C(NC1CCC(C(=O)N(Cc2csc(Br)c2)C2CC2)CC1)C1CCCC1 ZINC001435625333 1064886387 /nfs/dbraw/zinc/88/63/87/1064886387.db2.gz GWFMOUBRUDHWEV-UHFFFAOYSA-N 0 0 453.446 4.867 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625270 1064886537 /nfs/dbraw/zinc/88/65/37/1064886537.db2.gz PJGKAEXYSCZDSC-DYESRHJHSA-N 0 0 454.665 4.877 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC001435625273 1064886578 /nfs/dbraw/zinc/88/65/78/1064886578.db2.gz PJGKAEXYSCZDSC-UWJYYQICSA-N 0 0 454.665 4.877 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC001360056214 1064887147 /nfs/dbraw/zinc/88/71/47/1064887147.db2.gz BHIPKAGWPQOZLK-QGZVFWFLSA-N 0 0 451.402 4.656 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625795 1064887280 /nfs/dbraw/zinc/88/72/80/1064887280.db2.gz SJQZCFNDLMUQBV-HRFSGMKKSA-N 0 0 459.638 4.624 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001360056472 1064887784 /nfs/dbraw/zinc/88/77/84/1064887784.db2.gz FDCDJUAXILBAMH-WMLDXEAASA-N 0 0 458.477 4.770 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CCOC2)C1 ZINC001360056881 1064889397 /nfs/dbraw/zinc/88/93/97/1064889397.db2.gz GLIFOSUSYLNEMD-DOTOQJQBSA-N 0 0 483.838 4.649 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccco2)C1 ZINC001360056923 1064889640 /nfs/dbraw/zinc/88/96/40/1064889640.db2.gz HKJVVVWMQRTLGM-OAHLLOKOSA-N 0 0 451.390 4.662 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNC(=O)C(C)(C)C)C1 ZINC001360056925 1064889687 /nfs/dbraw/zinc/88/96/87/1064889687.db2.gz HLDPBYZMWRWAHX-HXUWFJFHSA-N 0 0 487.714 4.689 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)c1cncc2nc(C(F)(F)F)n(C)c21 ZINC001435627681 1064889753 /nfs/dbraw/zinc/88/97/53/1064889753.db2.gz JKQIKTODJLAQBH-UHFFFAOYSA-N 0 0 457.250 4.789 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCC2)C1 ZINC001360057322 1064890124 /nfs/dbraw/zinc/89/01/24/1064890124.db2.gz JWGQXVUQPHNYQK-INIZCTEOSA-N 0 0 483.838 4.527 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)nn1-c1ccc(Br)cc1 ZINC001435628085 1064890263 /nfs/dbraw/zinc/89/02/63/1064890263.db2.gz YHALJQUOMPJLPE-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1ccc2nccn2c1 ZINC001435628332 1064890381 /nfs/dbraw/zinc/89/03/81/1064890381.db2.gz BKOURDUTYWXPAZ-UHFFFAOYSA-N 0 0 457.231 4.857 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC001435628455 1064890454 /nfs/dbraw/zinc/89/04/54/1064890454.db2.gz GSDBVNWRLVCKHX-SQVRQVGWSA-N 0 0 455.396 4.921 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1 ZINC001360057630 1064890830 /nfs/dbraw/zinc/89/08/30/1064890830.db2.gz QMNDDMNYYLPUAL-UHFFFAOYSA-N 0 0 458.555 4.759 20 0 JJADRN CC[C@H](CSc1ccccc1)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC001435629898 1064891075 /nfs/dbraw/zinc/89/10/75/1064891075.db2.gz LAUJZLMBWMOODQ-OAHLLOKOSA-N 0 0 455.630 4.874 20 0 JJADRN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1 ZINC001435630088 1064891259 /nfs/dbraw/zinc/89/12/59/1064891259.db2.gz XTAKFVPWKIRRGX-OIBJUYFYSA-N 0 0 451.264 4.901 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)c2)C1 ZINC001360057712 1064891675 /nfs/dbraw/zinc/89/16/75/1064891675.db2.gz NBPOLXIPXGFLPS-XMMPIXPASA-N 0 0 464.658 4.860 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC001435630541 1064891740 /nfs/dbraw/zinc/89/17/40/1064891740.db2.gz VQICNCHSPUQPDD-NSHDSACASA-N 0 0 454.162 4.541 20 0 JJADRN COCc1nc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c(-c2ccccc2)s1 ZINC001435630965 1064891763 /nfs/dbraw/zinc/89/17/63/1064891763.db2.gz FDORUHSVQCUCOK-UHFFFAOYSA-N 0 0 452.576 4.582 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC001435630913 1064891810 /nfs/dbraw/zinc/89/18/10/1064891810.db2.gz FPZPGKQYDRTEHB-UHFFFAOYSA-N 0 0 456.384 4.844 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001360057885 1064892453 /nfs/dbraw/zinc/89/24/53/1064892453.db2.gz QUQFPVMCINLEEV-NRFANRHFSA-N 0 0 456.539 4.944 20 0 JJADRN CCCCCn1nc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c2ccccc2c1=O ZINC001360057790 1064892528 /nfs/dbraw/zinc/89/25/28/1064892528.db2.gz PJJBUOLPQWJCTA-JOCHJYFZSA-N 0 0 453.558 4.949 20 0 JJADRN Cc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c(Br)n1 ZINC001435631591 1064892574 /nfs/dbraw/zinc/89/25/74/1064892574.db2.gz UMZPZZKUCDRCQI-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C ZINC001435631939 1064893157 /nfs/dbraw/zinc/89/31/57/1064893157.db2.gz OKVQDYRAWQZBSQ-UHFFFAOYSA-N 0 0 452.864 4.636 20 0 JJADRN CC(C)[C@H](OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC001435632876 1064894266 /nfs/dbraw/zinc/89/42/66/1064894266.db2.gz RGGLRPBCTMBAQM-FQEVSTJZSA-N 0 0 455.498 4.972 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001360058517 1064894499 /nfs/dbraw/zinc/89/44/99/1064894499.db2.gz SDAKBNOEXIJLRA-WSNOQYBDSA-N 0 0 474.621 4.750 20 0 JJADRN C[C@H](c1ccc(C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)cc1)C(F)(F)F ZINC001435633550 1064894824 /nfs/dbraw/zinc/89/48/24/1064894824.db2.gz DDPHARBVGQFWSW-SNVBAGLBSA-N 0 0 450.276 4.771 20 0 JJADRN COc1cccc(C2(CNC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 ZINC001360058600 1064895336 /nfs/dbraw/zinc/89/53/36/1064895336.db2.gz YFYXYQLQEUZTON-UHFFFAOYSA-N 0 0 450.000 4.531 20 0 JJADRN 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ZINC001435634391 1064896787 /nfs/dbraw/zinc/89/67/87/1064896787.db2.gz IEKZOCMZOSOOIW-UHFFFAOYSA-N 0 0 456.642 4.797 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)c2ccco2)C1 ZINC001360058859 1064896733 /nfs/dbraw/zinc/89/67/33/1064896733.db2.gz XIQPYCKKFXWBLU-YCRPNKLZSA-N 0 0 495.443 4.521 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2nc1C ZINC001435635399 1064897465 /nfs/dbraw/zinc/89/74/65/1064897465.db2.gz VGTDHTTZQPCQRH-UHFFFAOYSA-N 0 0 451.498 4.898 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cnc21 ZINC001435635115 1064897509 /nfs/dbraw/zinc/89/75/09/1064897509.db2.gz RHFKDCDZHDGSPF-UHFFFAOYSA-N 0 0 450.539 4.600 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OC(F)(F)F)C1 ZINC001360059352 1064897531 /nfs/dbraw/zinc/89/75/31/1064897531.db2.gz GJWOECCTEFYJAO-IBGZPJMESA-N 0 0 461.488 4.538 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(C3CCC3)n2CCNc2ncc(Cl)cc2Cl)C1 ZINC001360059025 1064897546 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DCBJYKZMNHHTJY-NRFANRHFSA-N 0 0 472.728 4.874 20 0 JJADRN CC(C)CSCCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001360079225 1064933293 /nfs/dbraw/zinc/93/32/93/1064933293.db2.gz FEFRUXZYGJQKNH-UHFFFAOYSA-N 0 0 476.090 4.626 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360079213 1064933322 /nfs/dbraw/zinc/93/33/22/1064933322.db2.gz DNYUDRKXAHCXHC-SLFFLAALSA-N 0 0 495.734 4.832 20 0 JJADRN Cc1cc2occ(CC(=O)N[C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)c2cc1C ZINC001435686697 1064933205 /nfs/dbraw/zinc/93/32/05/1064933205.db2.gz XSQOJJQXIAOGBX-NRFANRHFSA-N 0 0 458.480 4.918 20 0 JJADRN CC(C)CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001360079427 1064933910 /nfs/dbraw/zinc/93/39/10/1064933910.db2.gz IQCACFQRWHBOIB-ZRNYENFQSA-N 0 0 463.692 4.817 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360079510 1064934562 /nfs/dbraw/zinc/93/45/62/1064934562.db2.gz KDLDJZXUPRKBGY-JOCHJYFZSA-N 0 0 458.603 4.958 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360079667 1064934664 /nfs/dbraw/zinc/93/46/64/1064934664.db2.gz UVMHEHZFNVUGGD-FCHUYYIVSA-N 0 0 452.352 4.861 20 0 JJADRN CCc1nc(C(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)nn1-c1ccccc1F ZINC001435688396 1064934539 /nfs/dbraw/zinc/93/45/39/1064934539.db2.gz KQWHFDDCNIUXRO-SFHVURJKSA-N 0 0 458.541 4.838 20 0 JJADRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccn(Cc2ccccc2)c1=O ZINC001435688842 1064934573 /nfs/dbraw/zinc/93/45/73/1064934573.db2.gz HUUDTMQXJZNEGW-SFHVURJKSA-N 0 0 454.370 4.949 20 0 JJADRN C[C@H](c1ccccn1)N(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001435688726 1064934626 /nfs/dbraw/zinc/93/46/26/1064934626.db2.gz OGNNXMGQOMIHRT-WOIUINJBSA-N 0 0 452.599 4.887 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccn2)nnc1N1CCc2cc(F)cc(F)c2C1 ZINC001360079698 1064935206 /nfs/dbraw/zinc/93/52/06/1064935206.db2.gz MXNGRSXGOCOOQP-UHFFFAOYSA-N 0 0 457.594 4.884 20 0 JJADRN CC(=O)Nc1ccc(F)c(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001360079873 1064935327 /nfs/dbraw/zinc/93/53/27/1064935327.db2.gz XRGHKCYWCNUSBU-UHFFFAOYSA-N 0 0 454.885 4.629 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O[C@@H](C)c1ccc(Cl)s1 ZINC001435689292 1064935416 /nfs/dbraw/zinc/93/54/16/1064935416.db2.gz JAFXCQGPHKIUON-QWRGUYRKSA-N 0 0 451.791 4.878 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cnc12 ZINC001435689921 1064935875 /nfs/dbraw/zinc/93/58/75/1064935875.db2.gz UZXIPMHSFVJUIS-GOSISDBHSA-N 0 0 457.374 4.534 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC001435691065 1064937285 /nfs/dbraw/zinc/93/72/85/1064937285.db2.gz IHRQBROGNKNZDU-YCRPNKLZSA-N 0 0 458.356 4.714 20 0 JJADRN CC(C)CSCCCn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C ZINC001360080163 1064937301 /nfs/dbraw/zinc/93/73/01/1064937301.db2.gz WLXRGTLWDGXFAD-HXUWFJFHSA-N 0 0 457.688 4.844 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 ZINC001435691500 1064937727 /nfs/dbraw/zinc/93/77/27/1064937727.db2.gz NPZBESZZTKWMTL-UHFFFAOYSA-N 0 0 459.292 4.845 20 0 JJADRN CC(C)CSCCCn1c(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001360080268 1064937880 /nfs/dbraw/zinc/93/78/80/1064937880.db2.gz XUTJUJKSBQDACZ-SFHVURJKSA-N 0 0 466.717 4.956 20 0 JJADRN CC(C)CSCCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001360080288 1064937933 /nfs/dbraw/zinc/93/79/33/1064937933.db2.gz FBHVRWSBZYGZQE-IBGZPJMESA-N 0 0 454.587 4.970 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 ZINC001360080409 1064938463 /nfs/dbraw/zinc/93/84/63/1064938463.db2.gz ZZRXHFNQCLMSHC-UXHICEINSA-N 0 0 481.707 4.602 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001360081210 1064940059 /nfs/dbraw/zinc/94/00/59/1064940059.db2.gz FELQHKBVHSUNCV-OXJNMPFZSA-N 0 0 451.405 4.612 20 0 JJADRN Cc1cc(F)c(NC(=O)c2cc(=O)c3ccc(Cl)cc3o2)c(I)c1 ZINC001435694111 1064940950 /nfs/dbraw/zinc/94/09/50/1064940950.db2.gz QFPRZOPDEPEVHJ-UHFFFAOYSA-N 0 0 457.626 4.751 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)co1 ZINC001435695332 1064941565 /nfs/dbraw/zinc/94/15/65/1064941565.db2.gz BEWBMYYMHOVHCE-PLNGDYQASA-N 0 0 450.304 4.735 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)CC2)c1 ZINC001435694924 1064941597 /nfs/dbraw/zinc/94/15/97/1064941597.db2.gz NULHJQQAWUIGRA-NHCUHLMSSA-N 0 0 452.620 4.591 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001360082093 1064941686 /nfs/dbraw/zinc/94/16/86/1064941686.db2.gz PRPVCRYNAZPCOJ-UHFFFAOYSA-N 0 0 456.724 4.945 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)c2cccc(OCc3noc(C)n3)c2)cc1Cl ZINC001435695961 1064942047 /nfs/dbraw/zinc/94/20/47/1064942047.db2.gz WNQFPLLNUJMWJB-UHFFFAOYSA-N 0 0 452.294 4.541 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001360082613 1064942061 /nfs/dbraw/zinc/94/20/61/1064942061.db2.gz HNBHYQFFLCBZIX-UHFFFAOYSA-N 0 0 450.534 4.570 20 0 JJADRN CC(C)CSCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360082621 1064942151 /nfs/dbraw/zinc/94/21/51/1064942151.db2.gz HUUWNICAIUYSLB-QGZVFWFLSA-N 0 0 463.623 4.577 20 0 JJADRN CC(C)CSCCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001360082617 1064942242 /nfs/dbraw/zinc/94/22/42/1064942242.db2.gz HQLKNRNLZMKKMD-XMMPIXPASA-N 0 0 472.058 4.567 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(C(F)(F)F)c1 ZINC001435696381 1064942790 /nfs/dbraw/zinc/94/27/90/1064942790.db2.gz CKSSZAPRLMXIBO-CYBMUJFWSA-N 0 0 459.827 4.685 20 0 JJADRN C[C@]1(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435696534 1064942919 /nfs/dbraw/zinc/94/29/19/1064942919.db2.gz ICTFBVLDFSWPLT-VWLOTQADSA-N 0 0 457.521 4.942 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001360082763 1064943032 /nfs/dbraw/zinc/94/30/32/1064943032.db2.gz LTGSKIAOWPRGMM-UHFFFAOYSA-N 0 0 497.496 4.635 20 0 JJADRN COc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(Cl)c1OCCC(C)C ZINC001435697026 1064943458 /nfs/dbraw/zinc/94/34/58/1064943458.db2.gz PXCUZIOJLFYOGH-UHFFFAOYSA-N 0 0 450.929 4.872 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435697497 1064943960 /nfs/dbraw/zinc/94/39/60/1064943960.db2.gz MMYNOKXOELIQDC-AWEZNQCLSA-N 0 0 452.839 4.692 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435697507 1064944084 /nfs/dbraw/zinc/94/40/84/1064944084.db2.gz MMYNOKXOELIQDC-CQSZACIVSA-N 0 0 452.839 4.692 20 0 JJADRN CC(C)CSCCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360083156 1064944797 /nfs/dbraw/zinc/94/47/97/1064944797.db2.gz YTQKVBCCFSPUNB-GOSISDBHSA-N 0 0 465.545 4.650 20 0 JJADRN CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360083355 1064945460 /nfs/dbraw/zinc/94/54/60/1064945460.db2.gz DSGLETTUPYKQOO-OXJNMPFZSA-N 0 0 481.588 4.982 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)cc1 ZINC001435699220 1064945729 /nfs/dbraw/zinc/94/57/29/1064945729.db2.gz JEPANJZKSAVZIZ-XMSQKQJNSA-N 0 0 459.608 4.719 20 0 JJADRN O=C(c1csc(I)n1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001360084793 1064946527 /nfs/dbraw/zinc/94/65/27/1064946527.db2.gz RXGWRVXUXQCCKG-UHFFFAOYSA-N 0 0 456.255 4.873 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC001360084739 1064946770 /nfs/dbraw/zinc/94/67/70/1064946770.db2.gz PXYZLVRGEAMXMS-WOJBJXKFSA-N 0 0 452.570 4.841 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)CC1=O ZINC001360085143 1064947214 /nfs/dbraw/zinc/94/72/14/1064947214.db2.gz OFSAQBZMXCKIOE-LJQANCHMSA-N 0 0 450.485 4.950 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N(Cc3ccccc3F)c3ccc(F)cc3)CC2=O)cc1 ZINC001360085244 1064947237 /nfs/dbraw/zinc/94/72/37/1064947237.db2.gz RVRKNXZMMCMCAI-HXUWFJFHSA-N 0 0 450.485 4.555 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC[C@H]1c1ccc(C)o1 ZINC001435702872 1064947490 /nfs/dbraw/zinc/94/74/90/1064947490.db2.gz JWAIVSYSTYHHRE-BJLQDIEVSA-N 0 0 452.473 4.930 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001360085523 1064947740 /nfs/dbraw/zinc/94/77/40/1064947740.db2.gz CCGLUCIBUKGBRE-PZJWPPBQSA-N 0 0 465.063 4.793 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1csc(-c2ccc(F)cc2)n1 ZINC001435704289 1064947959 /nfs/dbraw/zinc/94/79/59/1064947959.db2.gz XSOVTNDWTLCEIE-MRXNPFEDSA-N 0 0 450.322 4.791 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001435704628 1064948096 /nfs/dbraw/zinc/94/80/96/1064948096.db2.gz WOGAXVUDPTUYOA-QJXUFPCYSA-N 0 0 453.395 4.684 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(Br)c1 ZINC001435705388 1064948655 /nfs/dbraw/zinc/94/86/55/1064948655.db2.gz ZREJTYACTYAZDW-DIFFPNOSSA-N 0 0 456.167 4.781 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001360086064 1064949316 /nfs/dbraw/zinc/94/93/16/1064949316.db2.gz OXKBAZZBYUQVFF-UYAOXDASSA-N 0 0 495.487 4.512 20 0 JJADRN 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CFSHIFLBHHHGKX-AWEZNQCLSA-N 0 0 455.917 4.757 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1OC ZINC001435840734 1065018325 /nfs/dbraw/zinc/01/83/25/1065018325.db2.gz AKZVRZBVBBNQJX-UHFFFAOYSA-N 0 0 450.255 4.560 20 0 JJADRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001435842875 1065019194 /nfs/dbraw/zinc/01/91/94/1065019194.db2.gz VSXNYHAANJDHJX-UHFFFAOYSA-N 0 0 457.250 4.736 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2csc(-c3ccncc3)n2)(C(F)(F)F)CC1 ZINC001435842080 1065019313 /nfs/dbraw/zinc/01/93/13/1065019313.db2.gz BKFPZYAHMJMVBO-UHFFFAOYSA-N 0 0 456.490 4.723 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)OCc3ccc(C(=O)OC(C)(C)C)cc3)CCCC2)cc1 ZINC001435842568 1065019325 /nfs/dbraw/zinc/01/93/25/1065019325.db2.gz IAGQNFMYVLAYMX-UHFFFAOYSA-N 0 0 458.576 4.780 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1F ZINC001435848576 1065021500 /nfs/dbraw/zinc/02/15/00/1065021500.db2.gz CCTCTCGJQGWJDA-IBGZPJMESA-N 0 0 458.958 4.822 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1 ZINC001360127430 1065021592 /nfs/dbraw/zinc/02/15/92/1065021592.db2.gz UCWTURIBJZDGHD-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)O[C@@H](C)C2 ZINC001360127511 1065021708 /nfs/dbraw/zinc/02/17/08/1065021708.db2.gz VIOMTBLVYCNNAS-CORIIIEPSA-N 0 0 451.407 4.856 20 0 JJADRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001435848754 1065022078 /nfs/dbraw/zinc/02/20/78/1065022078.db2.gz ANJJIRZCZAEQBD-MUDYYLEHSA-N 0 0 451.432 4.762 20 0 JJADRN CC(C)[C@H](NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)c1ccc(Cl)cc1F ZINC001435850553 1065022414 /nfs/dbraw/zinc/02/24/14/1065022414.db2.gz WQIPZZWIFOTJBX-FQEVSTJZSA-N 0 0 456.892 4.551 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC001435849953 1065022537 /nfs/dbraw/zinc/02/25/37/1065022537.db2.gz KGMMCNNEHNXDOK-WMZHIEFXSA-N 0 0 453.970 4.569 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1=O ZINC001435850741 1065022569 /nfs/dbraw/zinc/02/25/69/1065022569.db2.gz OFLKXQGCXUFZDO-BEFAXECRSA-N 0 0 456.411 4.623 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 ZINC001435851949 1065023561 /nfs/dbraw/zinc/02/35/61/1065023561.db2.gz SOAAJNFVUSPGOZ-GOSISDBHSA-N 0 0 455.383 4.824 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435852792 1065024590 /nfs/dbraw/zinc/02/45/90/1065024590.db2.gz WBBVHZRLANWYRL-GOSISDBHSA-N 0 0 455.383 4.906 20 0 JJADRN COCCOC1CCC(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)CC1 ZINC001435853711 1065024980 /nfs/dbraw/zinc/02/49/80/1065024980.db2.gz CYQIKENFJJFLNJ-UHFFFAOYSA-N 0 0 457.592 4.521 20 0 JJADRN CCOC(=O)CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCN(C)C2 ZINC001435853583 1065025093 /nfs/dbraw/zinc/02/50/93/1065025093.db2.gz BIZSKTOJSISBOV-UHFFFAOYSA-N 0 0 456.608 4.583 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)C[C@@H](C)c3ccccc3F)c2C)c1 ZINC001435853741 1065025392 /nfs/dbraw/zinc/02/53/92/1065025392.db2.gz DGFWCUHAAQUCJR-OSPHWJPCSA-N 0 0 451.542 4.731 20 0 JJADRN COc1cccc([C@H](OC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccncc2)c1 ZINC001435854001 1065025495 /nfs/dbraw/zinc/02/54/95/1065025495.db2.gz WKCSORZKTVUFEP-HXUWFJFHSA-N 0 0 455.536 4.518 20 0 JJADRN Cn1c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)ccc1-c1ccc(Br)cc1 ZINC001360130970 1065026293 /nfs/dbraw/zinc/02/62/93/1065026293.db2.gz HEYHIGGSOOWLGC-IBGZPJMESA-N 0 0 456.359 4.993 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001360131046 1065026309 /nfs/dbraw/zinc/02/63/09/1065026309.db2.gz HCFLNKBWJXPGDM-UHFFFAOYSA-N 0 0 459.924 4.972 20 0 JJADRN COc1cc(-c2cc(C(=O)Nc3cccc(N(C)C)n3)c3ccccc3n2)cc(OC)c1OC ZINC001435854898 1065026657 /nfs/dbraw/zinc/02/66/57/1065026657.db2.gz NNIIRMOXYLGTAM-UHFFFAOYSA-N 0 0 458.518 4.641 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC001435856100 1065027003 /nfs/dbraw/zinc/02/70/03/1065027003.db2.gz UZPKPWXIIANKIX-UHFFFAOYSA-N 0 0 451.748 4.745 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001435856226 1065027730 /nfs/dbraw/zinc/02/77/30/1065027730.db2.gz VOEFOJBEBOKWRX-FQEVSTJZSA-N 0 0 455.436 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)OC3(C)C)cc2C1 ZINC001360132986 1065027649 /nfs/dbraw/zinc/02/76/49/1065027649.db2.gz ZOWGSSGIIQHKNA-NRFANRHFSA-N 0 0 450.535 4.651 20 0 JJADRN O=C(OCc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001435857899 1065028384 /nfs/dbraw/zinc/02/83/84/1065028384.db2.gz DHZVANSGZALVDV-JLHYYAGUSA-N 0 0 454.375 4.749 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1F ZINC001435858320 1065028662 /nfs/dbraw/zinc/02/86/62/1065028662.db2.gz HRFZSAQVFNJEMV-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001360133343 1065028705 /nfs/dbraw/zinc/02/87/05/1065028705.db2.gz YIBKMJOGFIGQQH-TZMCWYRMSA-N 0 0 459.310 4.993 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1 ZINC001435859066 1065029090 /nfs/dbraw/zinc/02/90/90/1065029090.db2.gz MTRYYUFNXZFPCP-UHFFFAOYSA-N 0 0 454.539 4.815 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001360133870 1065029604 /nfs/dbraw/zinc/02/96/04/1065029604.db2.gz FLWMILOOKJPPFW-HSZRJFAPSA-N 0 0 458.558 4.830 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(Br)cc1 ZINC001360135272 1065031664 /nfs/dbraw/zinc/03/16/64/1065031664.db2.gz XMFPIBIQTHHWQU-JOCHJYFZSA-N 0 0 451.364 4.669 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001435865732 1065033034 /nfs/dbraw/zinc/03/30/34/1065033034.db2.gz LDXQXZJYUDFZRA-GFCCVEGCSA-N 0 0 457.321 4.705 20 0 JJADRN Cc1ccc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1-c1nnnn1C1CC1 ZINC001435866212 1065033498 /nfs/dbraw/zinc/03/34/98/1065033498.db2.gz RREDOGGPWDWTEJ-UHFFFAOYSA-N 0 0 452.946 4.874 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867497 1065034282 /nfs/dbraw/zinc/03/42/82/1065034282.db2.gz HNDFBZRKJNKZBU-GKVSMKOHSA-N 0 0 451.542 4.602 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867452 1065034444 /nfs/dbraw/zinc/03/44/44/1065034444.db2.gz GCQDOWATQNQZEI-QFIPXVFZSA-N 0 0 453.608 4.941 20 0 JJADRN CC(C)(C)OC(=O)c1c(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)sc2c1CCCC2 ZINC001435868060 1065034718 /nfs/dbraw/zinc/03/47/18/1065034718.db2.gz JOUDWIBIPYSSDN-UHFFFAOYSA-N 0 0 450.601 4.920 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CCc1cc(Br)cs1 ZINC001435867776 1065034787 /nfs/dbraw/zinc/03/47/87/1065034787.db2.gz AFFCIBZGHKQHKN-NRFANRHFSA-N 0 0 450.398 4.610 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1oc2ccccc2c1Br ZINC001435868500 1065035394 /nfs/dbraw/zinc/03/53/94/1065035394.db2.gz FKEFTLHXRBNPLB-QHCPKHFHSA-N 0 0 456.336 4.976 20 0 JJADRN CSc1c(F)cc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1F ZINC001435869330 1065035648 /nfs/dbraw/zinc/03/56/48/1065035648.db2.gz OEZBVUDNMUYRKP-UHFFFAOYSA-N 0 0 459.703 4.936 20 0 JJADRN O=C(CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1 ZINC001360138934 1065035685 /nfs/dbraw/zinc/03/56/85/1065035685.db2.gz XXJOVVRDKDOWBD-UHFFFAOYSA-N 0 0 458.949 4.880 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001435870530 1065036292 /nfs/dbraw/zinc/03/62/92/1065036292.db2.gz MVNFVQJJEWYAHW-SANMLTNESA-N 0 0 451.494 4.778 20 0 JJADRN COc1ccc2c(CC(=O)Nc3ccc(OCCNC(=O)OC(C)(C)C)cc3)coc2c1C ZINC001435871435 1065036556 /nfs/dbraw/zinc/03/65/56/1065036556.db2.gz NYUQKCDLPCPJEZ-UHFFFAOYSA-N 0 0 454.523 4.835 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CCc2cc(Br)ccc2C1 ZINC001435871988 1065036575 /nfs/dbraw/zinc/03/65/75/1065036575.db2.gz LLBVHZRSDIFUKM-OAQYLSRUSA-N 0 0 457.368 4.525 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC001435875431 1065038307 /nfs/dbraw/zinc/03/83/07/1065038307.db2.gz IMFHZPWTIAIRAC-DEOSSOPVSA-N 0 0 459.615 4.595 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N(C)[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001360140743 1065038687 /nfs/dbraw/zinc/03/86/87/1065038687.db2.gz AIUAWDACWHCXRR-RMUOZIPVSA-N 0 0 452.334 4.787 20 0 JJADRN CCSc1ccc(CC(=O)Nc2nc(C(=O)OC)c(C3CC3)s2)c(Br)c1 ZINC001435875670 1065038771 /nfs/dbraw/zinc/03/87/71/1065038771.db2.gz UEBANIHJRKYLDR-UHFFFAOYSA-N 0 0 455.399 4.863 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(-c2ccc(F)cc2)n(C)n1 ZINC001360141174 1065039442 /nfs/dbraw/zinc/03/94/42/1065039442.db2.gz HKHBPXFWUARHFF-LJQANCHMSA-N 0 0 450.297 4.519 20 0 JJADRN Cc1cccc2c1CN(C(=O)c1cc(Br)ccc1I)CC2 ZINC001435877650 1065039452 /nfs/dbraw/zinc/03/94/52/1065039452.db2.gz PITVKLKRGSTUHE-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN Cc1noc(C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)c2ccccc2)n1 ZINC001435876668 1065039749 /nfs/dbraw/zinc/03/97/49/1065039749.db2.gz CJEHGDFNCXLUEW-QGZVFWFLSA-N 0 0 453.296 4.509 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)CCSCC1 ZINC001435879062 1065040049 /nfs/dbraw/zinc/04/00/49/1065040049.db2.gz AWUPIYQWMAEKKS-QGZVFWFLSA-N 0 0 459.637 4.800 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)COc3ccc(-c4ccccc4)cc3)c2)n1 ZINC001435880528 1065040918 /nfs/dbraw/zinc/04/09/18/1065040918.db2.gz SJIDEKLZKNZDRQ-UHFFFAOYSA-N 0 0 458.539 4.959 20 0 JJADRN COc1cc(CCC(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc(OC)c1OC ZINC001435880750 1065041451 /nfs/dbraw/zinc/04/14/51/1065041451.db2.gz MSWPYTNYQCHPOZ-GOSISDBHSA-N 0 0 453.564 4.603 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001360142314 1065042491 /nfs/dbraw/zinc/04/24/91/1065042491.db2.gz SAZKNJSJSDFOCM-NRFANRHFSA-N 0 0 459.329 4.954 20 0 JJADRN O=C(NCCc1ccc(F)cc1F)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001360143013 1065043250 /nfs/dbraw/zinc/04/32/50/1065043250.db2.gz UZSHJMTWKWKPNN-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)COc1cc(F)cc(F)c1)C1CC1 ZINC001435883208 1065043445 /nfs/dbraw/zinc/04/34/45/1065043445.db2.gz UWJFNZJWQYRICY-HXUWFJFHSA-N 0 0 458.288 4.946 20 0 JJADRN C[C@H](CN(C)C(=O)c1cnn2cccc(Br)c12)Oc1ccc(Cl)c(Cl)c1 ZINC001435887832 1065044909 /nfs/dbraw/zinc/04/49/09/1065044909.db2.gz BPPVOUSDMZRKHR-LLVKDONJSA-N 0 0 457.155 4.943 20 0 JJADRN CCc1c(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001435887967 1065045097 /nfs/dbraw/zinc/04/50/97/1065045097.db2.gz VVVDLMDBPPJOKO-UHFFFAOYSA-N 0 0 454.456 4.903 20 0 JJADRN CCCc1c(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cnn1-c1ccc(F)cc1 ZINC001435888003 1065045322 /nfs/dbraw/zinc/04/53/22/1065045322.db2.gz RLZOYSIMLDVERQ-UHFFFAOYSA-N 0 0 454.399 4.890 20 0 JJADRN CS(C)(=O)=Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC001360145181 1065046711 /nfs/dbraw/zinc/04/67/11/1065046711.db2.gz KMZXKURCIHTFEL-UHFFFAOYSA-N 0 0 454.573 4.525 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001360144937 1065046856 /nfs/dbraw/zinc/04/68/56/1065046856.db2.gz CNAMLCDYMKSXDP-UHFFFAOYSA-N 0 0 450.532 4.972 20 0 JJADRN COc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c(OC(F)F)c1 ZINC001360145708 1065047417 /nfs/dbraw/zinc/04/74/17/1065047417.db2.gz USEXWCMUAXDOGC-UHFFFAOYSA-N 0 0 459.470 4.776 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001360145513 1065047438 /nfs/dbraw/zinc/04/74/38/1065047438.db2.gz IXKYZRCRXILURV-PKTZIBPZSA-N 0 0 450.560 4.707 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N(C)CCOc3ccc(C(F)(F)F)cc3)n2)cc1F ZINC001435890522 1065047583 /nfs/dbraw/zinc/04/75/83/1065047583.db2.gz UEHARHMTZWVFRO-UHFFFAOYSA-N 0 0 451.420 4.673 20 0 JJADRN CC[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890694 1065047608 /nfs/dbraw/zinc/04/76/08/1065047608.db2.gz WGLVUHMXDFPVFU-LSDHHAIUSA-N 0 0 453.341 4.801 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCC(=O)Nc2cccc3ccccc32)n1 ZINC001360146249 1065048156 /nfs/dbraw/zinc/04/81/56/1065048156.db2.gz YTTDLKDLUQAYFY-UHFFFAOYSA-N 0 0 454.530 4.701 20 0 JJADRN C/C(=C/c1ccccc1)CN(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001435892137 1065048508 /nfs/dbraw/zinc/04/85/08/1065048508.db2.gz SGURHVSMVKKTPH-SSZFMOIBSA-N 0 0 457.315 4.652 20 0 JJADRN CC(C)[C@@](C)(NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(Br)cc1 ZINC001435892365 1065048539 /nfs/dbraw/zinc/04/85/39/1065048539.db2.gz UXZCXTWYYLEILJ-TZIWHRDSSA-N 0 0 451.311 4.908 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C/C(C)=C/c2ccccc2)c1Cl ZINC001435892853 1065049038 /nfs/dbraw/zinc/04/90/38/1065049038.db2.gz YIDRWFSVJOMEGQ-FYWRMAATSA-N 0 0 456.391 4.589 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1cnc(Cc2ccccc2F)s1 ZINC001435892974 1065049050 /nfs/dbraw/zinc/04/90/50/1065049050.db2.gz LOPDTRDPGYSBIY-UHFFFAOYSA-N 0 0 457.239 4.836 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001435893180 1065049122 /nfs/dbraw/zinc/04/91/22/1065049122.db2.gz PUSZAZMSEITRBY-UHFFFAOYSA-N 0 0 451.022 4.604 20 0 JJADRN COc1ccc(CCCCC(=O)Oc2cc(F)cc(I)c2)cc1OC ZINC001435894362 1065049593 /nfs/dbraw/zinc/04/95/93/1065049593.db2.gz YJYBTLMGGFVBCA-UHFFFAOYSA-N 0 0 458.267 4.766 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1OC ZINC001435893744 1065049640 /nfs/dbraw/zinc/04/96/40/1065049640.db2.gz DPAJXXZVEYIBPV-UHFFFAOYSA-N 0 0 454.958 4.908 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1csc(-c2ccco2)n1 ZINC001545894000 1065050515 /nfs/dbraw/zinc/05/05/15/1065050515.db2.gz MFAOCKMCBXJCSH-UHFFFAOYSA-N 0 0 456.616 4.588 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001435897942 1065051422 /nfs/dbraw/zinc/05/14/22/1065051422.db2.gz NAULXTQLQWCICV-FLIBITNWSA-N 0 0 450.329 4.678 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C)N4CCOCC4)cc3)c2C(F)(F)F)cc1 ZINC001360148878 1065051782 /nfs/dbraw/zinc/05/17/82/1065051782.db2.gz RDKTXEJVNHTQBN-QGZVFWFLSA-N 0 0 458.484 4.845 20 0 JJADRN CCc1c(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)nnn1Cc1ccc(F)cc1 ZINC001435901838 1065053689 /nfs/dbraw/zinc/05/36/89/1065053689.db2.gz LAADWHCCXIBBOL-UHFFFAOYSA-N 0 0 459.312 4.773 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 ZINC001435902398 1065054228 /nfs/dbraw/zinc/05/42/28/1065054228.db2.gz OBNRWFILVLSOPU-UHFFFAOYSA-N 0 0 451.748 4.510 20 0 JJADRN CCc1c(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)nnn1Cc1ccc(F)cc1 ZINC001435903411 1065054544 /nfs/dbraw/zinc/05/45/44/1065054544.db2.gz YRLLXWFVMQYDGG-UHFFFAOYSA-N 0 0 459.403 4.954 20 0 JJADRN Cn1nc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCC(C)(C)C3)cc1OC(F)F ZINC001435904363 1065055005 /nfs/dbraw/zinc/05/50/05/1065055005.db2.gz LCIRNBYHEIHFFL-UHFFFAOYSA-N 0 0 455.527 4.806 20 0 JJADRN C[C@H](CCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)CC(C)(C)C ZINC001435903851 1065055077 /nfs/dbraw/zinc/05/50/77/1065055077.db2.gz BXDACQSPLUHJAD-HUUCEWRRSA-N 0 0 457.566 4.590 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001435906442 1065055733 /nfs/dbraw/zinc/05/57/33/1065055733.db2.gz HGMBAWWAXOPHLJ-BULFRSBZSA-N 0 0 458.986 4.764 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001435906050 1065055746 /nfs/dbraw/zinc/05/57/46/1065055746.db2.gz CRJISBGRBQDUHV-MGPUTAFESA-N 0 0 455.967 4.580 20 0 JJADRN COC(=O)[C@@]1(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[C@@H]1c1ccccc1 ZINC001435907528 1065056721 /nfs/dbraw/zinc/05/67/21/1065056721.db2.gz VNAIBIANIYTURV-VGSWGCGISA-N 0 0 451.872 4.854 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001360154662 1065056764 /nfs/dbraw/zinc/05/67/64/1065056764.db2.gz FFTJGIJXNCOIHE-MBSDFSHPSA-N 0 0 459.571 4.894 20 0 JJADRN Cn1nc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)cc1OC(F)F ZINC001360153804 1065056864 /nfs/dbraw/zinc/05/68/64/1065056864.db2.gz HBMFILNEYHTIDZ-UHFFFAOYSA-N 0 0 455.465 4.797 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(C)c1 ZINC001360153942 1065056981 /nfs/dbraw/zinc/05/69/81/1065056981.db2.gz KMYVPRNHEKIPTF-OAQYLSRUSA-N 0 0 456.652 4.702 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001360154886 1065057335 /nfs/dbraw/zinc/05/73/35/1065057335.db2.gz KEQBOPNCMPVOTF-FQEVSTJZSA-N 0 0 450.336 4.955 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br ZINC001435909156 1065057538 /nfs/dbraw/zinc/05/75/38/1065057538.db2.gz HMTAUXPASAZBTA-SNVBAGLBSA-N 0 0 459.182 4.663 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC3CC3)n2CCSC(F)(F)F)c2ccccc2c1=O ZINC001360156721 1065058448 /nfs/dbraw/zinc/05/84/48/1065058448.db2.gz LDTCDLABCQOPSP-UHFFFAOYSA-N 0 0 480.560 4.725 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(C)(C)C)n2CCCOCC2CC2)c2ccccc2c1=O ZINC001360156800 1065058484 /nfs/dbraw/zinc/05/84/84/1065058484.db2.gz NZFBYPGHYAXBKD-UHFFFAOYSA-N 0 0 466.630 4.535 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCCCCC3)n2CC(F)(F)Br)c2ccccc2c1=O ZINC001360156687 1065058612 /nfs/dbraw/zinc/05/86/12/1065058612.db2.gz JWBKEZLMSLDKHS-UHFFFAOYSA-N 0 0 495.372 4.604 20 0 JJADRN COc1ccc(C2(C(=O)NCC3(c4cc(F)cc(C(F)(F)F)c4)CC3)CCOCC2)cc1 ZINC001435909629 1065058659 /nfs/dbraw/zinc/05/86/59/1065058659.db2.gz ABXMKHXQPWNKRZ-UHFFFAOYSA-N 0 0 451.460 4.749 20 0 JJADRN CCC1(C(=O)NCCCc2cccc(Br)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001360156933 1065059093 /nfs/dbraw/zinc/05/90/93/1065059093.db2.gz AWUWTHKLKKMCGL-UHFFFAOYSA-N 0 0 457.412 4.831 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001435912086 1065059440 /nfs/dbraw/zinc/05/94/40/1065059440.db2.gz NWNYLXPRDATLNN-UHFFFAOYSA-N 0 0 451.489 4.905 20 0 JJADRN CO[C@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(Br)s1 ZINC001360157866 1065059450 /nfs/dbraw/zinc/05/94/50/1065059450.db2.gz XXJLBWIZBMMXKZ-INIZCTEOSA-N 0 0 458.740 4.874 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001360161007 1065059887 /nfs/dbraw/zinc/05/98/87/1065059887.db2.gz ZMJKSPPPNZYAOL-UHFFFAOYSA-N 0 0 452.654 4.982 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360161550 1065060228 /nfs/dbraw/zinc/06/02/28/1065060228.db2.gz DRROBQLDUFCGLP-HNNXBMFYSA-N 0 0 486.498 4.822 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360161687 1065060332 /nfs/dbraw/zinc/06/03/32/1065060332.db2.gz FYPWEQKUSSQZBA-CYBMUJFWSA-N 0 0 492.527 4.884 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360162048 1065060971 /nfs/dbraw/zinc/06/09/71/1065060971.db2.gz JIANKIBUGNTKQV-SJORKVTESA-N 0 0 451.537 4.968 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)c1 ZINC001435914516 1065061189 /nfs/dbraw/zinc/06/11/89/1065061189.db2.gz SWDCXQMRWZOKHY-SFHVURJKSA-N 0 0 456.608 4.586 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@@H]3CC(c4ccccn4)=NO3)cc2Cl)n1 ZINC001435914520 1065061201 /nfs/dbraw/zinc/06/12/01/1065061201.db2.gz ZKEHADSUEWVSJE-KRWDZBQOSA-N 0 0 457.943 4.808 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)[C@@H]2SCCc3sccc32)c2ccc(Cl)cc2)CCO1 ZINC001360162386 1065061367 /nfs/dbraw/zinc/06/13/67/1065061367.db2.gz XMKWAQSOJGVVMR-AZUAARDMSA-N 0 0 451.057 4.700 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360163099 1065061585 /nfs/dbraw/zinc/06/15/85/1065061585.db2.gz ZFZQJXYTIJZIHC-QFBILLFUSA-N 0 0 475.062 4.632 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360162669 1065061613 /nfs/dbraw/zinc/06/16/13/1065061613.db2.gz QQRIOWXQZAFKBB-HNNXBMFYSA-N 0 0 490.624 4.889 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360162754 1065061674 /nfs/dbraw/zinc/06/16/74/1065061674.db2.gz SANSOQDHOHNDPF-CQSZACIVSA-N 0 0 496.484 4.548 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC001435917056 1065061669 /nfs/dbraw/zinc/06/16/69/1065061669.db2.gz DXQWJLKIAWPSHH-LJQANCHMSA-N 0 0 452.599 4.584 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001435917006 1065061684 /nfs/dbraw/zinc/06/16/84/1065061684.db2.gz DDAIBRATZVJSKR-UHFFFAOYSA-N 0 0 453.917 4.788 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc(OC(C)C)cc1 ZINC001545894166 1065062396 /nfs/dbraw/zinc/06/23/96/1065062396.db2.gz QPHMRIPIZHZSGH-SFHVURJKSA-N 0 0 463.573 4.514 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC001435917353 1065062423 /nfs/dbraw/zinc/06/24/23/1065062423.db2.gz JQYDHXRLLRNPJX-UHFFFAOYSA-N 0 0 452.473 4.737 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC001435917345 1065062476 /nfs/dbraw/zinc/06/24/76/1065062476.db2.gz JJACTSQMRLQRHS-RDTXWAMCSA-N 0 0 450.988 4.949 20 0 JJADRN C[C@@H]1Oc2ccccc2N(CCC(=O)Oc2c(Cl)cc(Br)cc2Cl)C1=O ZINC001360167622 1065063066 /nfs/dbraw/zinc/06/30/66/1065063066.db2.gz TWSRWBTUIGMIDI-JTQLQIEISA-N 0 0 459.123 4.866 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360168237 1065063158 /nfs/dbraw/zinc/06/31/58/1065063158.db2.gz NVBKILJQMJLCQO-YOEHRIQHSA-N 0 0 498.550 4.734 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC1(c2ccccc2)CCC1 ZINC001360169321 1065063567 /nfs/dbraw/zinc/06/35/67/1065063567.db2.gz AHNBOIPQEGJETL-UHFFFAOYSA-N 0 0 458.031 4.890 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC(C)(C)C(C)C ZINC001360169485 1065063757 /nfs/dbraw/zinc/06/37/57/1065063757.db2.gz HGYZWUPFLYVXEY-UHFFFAOYSA-N 0 0 457.516 4.893 20 0 JJADRN O=C(CSc1ccccc1C(=O)Nc1cc(Br)c(F)cc1F)N1CCCC1 ZINC001435920492 1065063834 /nfs/dbraw/zinc/06/38/34/1065063834.db2.gz DLAWCUXRSUQJEF-UHFFFAOYSA-N 0 0 455.324 4.694 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1F)c1cnn(-c2ccc(Br)cc2)c1 ZINC001435920518 1065063987 /nfs/dbraw/zinc/06/39/87/1065063987.db2.gz DZCBKAZOYLIRGB-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CCCN(CC(=O)OC)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 ZINC001435920279 1065064017 /nfs/dbraw/zinc/06/40/17/1065064017.db2.gz NKLWDXZXZCRRIH-UHFFFAOYSA-N 0 0 454.379 4.787 20 0 JJADRN Cc1cccc(CNC(=O)c2cc(I)c(C)cc2C)c1Br ZINC001435920994 1065064252 /nfs/dbraw/zinc/06/42/52/1065064252.db2.gz PZBVZOCKJBBXBJ-UHFFFAOYSA-N 0 0 458.137 4.909 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001360169517 1065064288 /nfs/dbraw/zinc/06/42/88/1065064288.db2.gz IQOLOQJZYNHBTF-YLJYHZDGSA-N 0 0 480.028 4.687 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3ccn(C)c3c2)c1 ZINC001435921673 1065064833 /nfs/dbraw/zinc/06/48/33/1065064833.db2.gz NBPBGZTYQKXMNJ-UHFFFAOYSA-N 0 0 453.951 4.909 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1CCNc1ncc(Cl)cc1Cl ZINC001360171751 1065065260 /nfs/dbraw/zinc/06/52/60/1065065260.db2.gz AEXCDXZOWDQXCA-UHFFFAOYSA-N 0 0 496.830 4.520 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1CC(C)(C)c1cccs1 ZINC001360171127 1065065275 /nfs/dbraw/zinc/06/52/75/1065065275.db2.gz WFDJRIKLANPFBL-UHFFFAOYSA-N 0 0 480.682 4.692 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC001435922889 1065065457 /nfs/dbraw/zinc/06/54/57/1065065457.db2.gz GKVNOVRXTQYFMC-QXAKKESOSA-N 0 0 453.410 4.650 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)c1ccc(F)cc1 ZINC001360171954 1065065413 /nfs/dbraw/zinc/06/54/13/1065065413.db2.gz DUUZOMGCYYTIRS-AWEZNQCLSA-N 0 0 494.434 4.820 20 0 JJADRN O=C(Oc1ccc(Oc2ccc(Br)cn2)cc1)c1cc(OCC(F)F)ccn1 ZINC001435923651 1065065734 /nfs/dbraw/zinc/06/57/34/1065065734.db2.gz CTWCOGZAXKPJGS-UHFFFAOYSA-N 0 0 451.223 4.895 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC001435924153 1065065864 /nfs/dbraw/zinc/06/58/64/1065065864.db2.gz IQSIVPYDVSSMFF-KBPBESRZSA-N 0 0 459.461 4.730 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)n1 ZINC001435924930 1065066158 /nfs/dbraw/zinc/06/61/58/1065066158.db2.gz JTQABHSYCSDPDL-UHFFFAOYSA-N 0 0 454.202 4.973 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001435924817 1065066318 /nfs/dbraw/zinc/06/63/18/1065066318.db2.gz LMXBEUYXKFBNLE-VEGGFIAOSA-N 0 0 456.970 4.644 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)c(Cl)c1 ZINC001360174411 1065066435 /nfs/dbraw/zinc/06/64/35/1065066435.db2.gz HXQCDVJLXBNPHJ-IBGZPJMESA-N 0 0 458.986 4.579 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@@H](c3ccccc3)C3CCCCC3)n(C)c2)C1 ZINC001435925127 1065066562 /nfs/dbraw/zinc/06/65/62/1065066562.db2.gz OVBHMALHHHMBBN-CYFREDJKSA-N 0 0 458.624 4.924 20 0 JJADRN O=C(C[C@@H](n1cccn1)C(F)(F)F)Oc1ccc(Oc2ccc(Br)cn2)cc1 ZINC001435925101 1065066633 /nfs/dbraw/zinc/06/66/33/1065066633.db2.gz LIQPJYZGCHPGTF-OAHLLOKOSA-N 0 0 456.218 4.932 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c1C ZINC001435925649 1065066659 /nfs/dbraw/zinc/06/66/59/1065066659.db2.gz NMVJNCCAYMMFFR-UHFFFAOYSA-N 0 0 459.296 4.977 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC001435925769 1065066711 /nfs/dbraw/zinc/06/67/11/1065066711.db2.gz RPSCWQMCENHOTN-AWEZNQCLSA-N 0 0 458.898 4.776 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cc(Br)c(F)cc2F)c(Cl)cc1Cl ZINC001435927840 1065067745 /nfs/dbraw/zinc/06/77/45/1065067745.db2.gz ZTEYVLMLUGCLMW-UHFFFAOYSA-N 0 0 459.095 4.690 20 0 JJADRN C[C@H](c1cccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1)N1CCOCC1 ZINC001360179638 1065067987 /nfs/dbraw/zinc/06/79/87/1065067987.db2.gz QINNRBUVFVLOHO-QGZVFWFLSA-N 0 0 458.484 4.596 20 0 JJADRN C[C@H]1CCC[C@H](NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001435928724 1065068215 /nfs/dbraw/zinc/06/82/15/1065068215.db2.gz MTVQDQVPTMARPX-OALUTQOASA-N 0 0 454.596 4.676 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001360181431 1065068229 /nfs/dbraw/zinc/06/82/29/1065068229.db2.gz ZURLWAMHLSKMEZ-IBGZPJMESA-N 0 0 457.317 4.819 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC001360180600 1065068339 /nfs/dbraw/zinc/06/83/39/1065068339.db2.gz GDMHKIJSPSPHCJ-INIZCTEOSA-N 0 0 457.577 4.572 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)O[C@@H]2CCOc3c(C)cccc32)nnc1-c1ccccc1 ZINC001435929991 1065068660 /nfs/dbraw/zinc/06/86/60/1065068660.db2.gz HDBKTNBBVWDFBW-FXAWDEMLSA-N 0 0 453.564 4.620 20 0 JJADRN COc1ccc(N(CCC(=O)N2CCCC[C@H](C)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001435931335 1065069035 /nfs/dbraw/zinc/06/90/35/1065069035.db2.gz QLFMIYRIQIKELU-FQEVSTJZSA-N 0 0 458.624 4.546 20 0 JJADRN COc1ccc(N(CCC(=O)N2CCCC[C@@H](C)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001435931336 1065069147 /nfs/dbraw/zinc/06/91/47/1065069147.db2.gz QLFMIYRIQIKELU-HXUWFJFHSA-N 0 0 458.624 4.546 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1coc(-c2c(F)cccc2F)n1)c1ccc(Cl)c(Cl)c1 ZINC001435932008 1065069163 /nfs/dbraw/zinc/06/91/63/1065069163.db2.gz XLELYAGQJWOOTQ-HXUWFJFHSA-N 0 0 455.244 4.745 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)c(Cl)c1 ZINC001435931752 1065069246 /nfs/dbraw/zinc/06/92/46/1065069246.db2.gz UKFQFFXLZSZWRY-HXUWFJFHSA-N 0 0 450.347 4.639 20 0 JJADRN C[C@H](NC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1nc(C(C)(C)C)cs1 ZINC001360182229 1065069273 /nfs/dbraw/zinc/06/92/73/1065069273.db2.gz IVBKSAKZFZHQMR-NSHDSACASA-N 0 0 451.379 4.784 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1CC(C)(C)c1ccccn1 ZINC001360182813 1065069615 /nfs/dbraw/zinc/06/96/15/1065069615.db2.gz FFJOZKTUNAJJST-UHFFFAOYSA-N 0 0 478.622 4.650 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001360183197 1065070296 /nfs/dbraw/zinc/07/02/96/1065070296.db2.gz BOVLNOGEWKTQPJ-UHFFFAOYSA-N 0 0 458.942 4.752 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1Cc1cccc(C(F)F)c1 ZINC001360183080 1065070340 /nfs/dbraw/zinc/07/03/40/1065070340.db2.gz NYBHBJRMXUPYJO-LJQANCHMSA-N 0 0 489.592 4.649 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001360183314 1065070801 /nfs/dbraw/zinc/07/08/01/1065070801.db2.gz SQZUENDFNYTFML-UHFFFAOYSA-N 0 0 463.529 4.714 20 0 JJADRN CN(C)[C@@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001435935580 1065071133 /nfs/dbraw/zinc/07/11/33/1065071133.db2.gz YLNBHSSHHPMTGG-BJKOFHAPSA-N 0 0 450.966 4.586 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cc(Br)ccc1Br ZINC001435935986 1065071385 /nfs/dbraw/zinc/07/13/85/1065071385.db2.gz COWADBBMRHNPHS-UHFFFAOYSA-N 0 0 452.068 4.864 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360185052 1065071581 /nfs/dbraw/zinc/07/15/81/1065071581.db2.gz JEXVXVLCPIPMKQ-AWEZNQCLSA-N 0 0 450.329 4.847 20 0 JJADRN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001360185003 1065071596 /nfs/dbraw/zinc/07/15/96/1065071596.db2.gz IIBLUMCIGBUCJA-KRWDZBQOSA-N 0 0 459.394 4.731 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC001435936140 1065071776 /nfs/dbraw/zinc/07/17/76/1065071776.db2.gz FNIBGUXARYFZJC-UHFFFAOYSA-N 0 0 451.573 4.853 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cc(-c3ccccc3)on2)CC1 ZINC001360188169 1065072602 /nfs/dbraw/zinc/07/26/02/1065072602.db2.gz NVLSLKDWMYUBSN-KRWDZBQOSA-N 0 0 454.368 4.552 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Oc2cnc3ccc(Br)cc3c2)cc1 ZINC001435938163 1065072700 /nfs/dbraw/zinc/07/27/00/1065072700.db2.gz QNNMISKEZYMELY-UHFFFAOYSA-N 0 0 458.308 4.937 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC001360188216 1065072721 /nfs/dbraw/zinc/07/27/21/1065072721.db2.gz OTKSXMGHSHKIMG-HNNXBMFYSA-N 0 0 455.318 4.916 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC001360188798 1065073048 /nfs/dbraw/zinc/07/30/48/1065073048.db2.gz WJJUWICDCKJHOF-QGZVFWFLSA-N 0 0 454.974 4.584 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC001360188786 1065073090 /nfs/dbraw/zinc/07/30/90/1065073090.db2.gz WEZVGMQMFKEBFE-DCFHFQCYSA-N 0 0 456.586 4.978 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001435938929 1065073102 /nfs/dbraw/zinc/07/31/02/1065073102.db2.gz ZDLALWOJMOGGQL-AEFFLSMTSA-N 0 0 453.174 4.618 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC001435938475 1065073190 /nfs/dbraw/zinc/07/31/90/1065073190.db2.gz DOWCUXIRGZHJOA-MOPGFXCFSA-N 0 0 458.624 4.511 20 0 JJADRN COc1ccc(C(=O)Nc2cccnc2-c2ccc(C)s2)c(I)c1 ZINC001435939822 1065073772 /nfs/dbraw/zinc/07/37/72/1065073772.db2.gz FTIHTHALWDVBMK-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC001360189819 1065073759 /nfs/dbraw/zinc/07/37/59/1065073759.db2.gz GIFJASCNHWXYKY-BBRMVZONSA-N 0 0 457.434 4.947 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001360190441 1065074618 /nfs/dbraw/zinc/07/46/18/1065074618.db2.gz XQYSNVWPSJWSAY-CQSZACIVSA-N 0 0 454.983 4.894 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC001435941609 1065074799 /nfs/dbraw/zinc/07/47/99/1065074799.db2.gz PTLKOZXIUOSWAC-IBGZPJMESA-N 0 0 457.412 4.968 20 0 JJADRN O=C(CCCn1ccc2cc(Cl)ccc21)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001435942882 1065075064 /nfs/dbraw/zinc/07/50/64/1065075064.db2.gz SBRAAHMXCBPXDV-NRFANRHFSA-N 0 0 459.924 4.661 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1CCCCOC(C)C ZINC001360190939 1065075072 /nfs/dbraw/zinc/07/50/72/1065075072.db2.gz IBHLGWXZPOMAAA-KRWDZBQOSA-N 0 0 492.462 4.508 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCc1ccc(Br)s1 ZINC001360191689 1065075173 /nfs/dbraw/zinc/07/51/73/1065075173.db2.gz RVKTVQIJKVTMRU-CQSZACIVSA-N 0 0 474.428 4.564 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(C)cc1OCC1CC1 ZINC001545894362 1065075329 /nfs/dbraw/zinc/07/53/29/1065075329.db2.gz VICFDWQFGJUXNJ-UHFFFAOYSA-N 0 0 467.658 4.968 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC001360191903 1065075690 /nfs/dbraw/zinc/07/56/90/1065075690.db2.gz LAVRGBPKFLVOOV-FQEVSTJZSA-N 0 0 456.340 4.542 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccccc1 ZINC001360191707 1065075831 /nfs/dbraw/zinc/07/58/31/1065075831.db2.gz IBKKAAGYJUWOGY-XMMPIXPASA-N 0 0 457.530 4.820 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Oc2cccc(Cl)c2F)c1 ZINC001435946829 1065076271 /nfs/dbraw/zinc/07/62/71/1065076271.db2.gz IOCVADCTLZCXOA-UHFFFAOYSA-N 0 0 450.871 4.865 20 0 JJADRN COC(=O)N1CCC([C@H](C)NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001435946912 1065076533 /nfs/dbraw/zinc/07/65/33/1065076533.db2.gz KYCGYOJQAQCJCG-JMMZKRSASA-N 0 0 458.505 4.812 20 0 JJADRN O=C(Oc1cccc(Cl)c1F)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC001435947881 1065076585 /nfs/dbraw/zinc/07/65/85/1065076585.db2.gz LXFMFKLHOXFWCD-UHFFFAOYSA-N 0 0 451.928 4.507 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001435947999 1065076762 /nfs/dbraw/zinc/07/67/62/1065076762.db2.gz VJTDCRVJBIGJGR-UHFFFAOYSA-N 0 0 458.436 4.598 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cc(Br)cnc1C1CC1 ZINC001360196666 1065076683 /nfs/dbraw/zinc/07/66/83/1065076683.db2.gz DNHRQMHQMOZKOL-OAHLLOKOSA-N 0 0 454.290 4.749 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001360196379 1065076797 /nfs/dbraw/zinc/07/67/97/1065076797.db2.gz AZMQFFKOPBLAOX-HXUWFJFHSA-N 0 0 450.585 4.966 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3ccnc(OC(F)F)c3)sc2[C@@H](C)O1 ZINC001435948133 1065077200 /nfs/dbraw/zinc/07/72/00/1065077200.db2.gz DDFBAZCAJUHZNQ-GHMZBOCLSA-N 0 0 454.495 4.974 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)c1nc3ccccc3cc1Br)CCS2 ZINC001435948714 1065077545 /nfs/dbraw/zinc/07/75/45/1065077545.db2.gz YFEGLNWFNFIBFO-UHFFFAOYSA-N 0 0 457.349 4.927 20 0 JJADRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001435949324 1065077669 /nfs/dbraw/zinc/07/76/69/1065077669.db2.gz KCHQZGRBHIGODR-OAQYLSRUSA-N 0 0 451.448 4.521 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360199075 1065078025 /nfs/dbraw/zinc/07/80/25/1065078025.db2.gz BMHWGVXKGNCBDY-VQIMIIECSA-N 0 0 492.437 4.906 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360199241 1065078163 /nfs/dbraw/zinc/07/81/63/1065078163.db2.gz DWZXLNVLIOPXEU-LJQANCHMSA-N 0 0 489.611 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)o2)CC1 ZINC001435952385 1065078434 /nfs/dbraw/zinc/07/84/34/1065078434.db2.gz WTNNSWGCWTUSQN-FPOVZHCZSA-N 0 0 453.583 4.930 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC001435953752 1065078843 /nfs/dbraw/zinc/07/88/43/1065078843.db2.gz LDZQOXZCYISWBG-IBGZPJMESA-N 0 0 453.421 4.733 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC13CCCCC3)=C2 ZINC001360202499 1065079206 /nfs/dbraw/zinc/07/92/06/1065079206.db2.gz YWLPWTGIIHOXCO-UHFFFAOYSA-N 0 0 456.583 4.643 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001360203914 1065079735 /nfs/dbraw/zinc/07/97/35/1065079735.db2.gz VGFMUHIKNAHTGX-LEWJYISDSA-N 0 0 493.574 4.753 20 0 JJADRN O=C(c1cc(COc2ccc(Cl)cc2Cl)on1)N1CCSC[C@H]1c1nccs1 ZINC001435955292 1065079974 /nfs/dbraw/zinc/07/99/74/1065079974.db2.gz FPKAGYUAGHOICF-HNNXBMFYSA-N 0 0 456.376 4.947 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCSC[C@H]1c1nccs1 ZINC001435955012 1065079994 /nfs/dbraw/zinc/07/99/94/1065079994.db2.gz CPMLJQAGJWIXIY-INIZCTEOSA-N 0 0 452.026 4.691 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(Br)oc1C ZINC001435956160 1065080284 /nfs/dbraw/zinc/08/02/84/1065080284.db2.gz FJXPIMXNJNDURG-HNNXBMFYSA-N 0 0 459.178 4.881 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001360207462 1065080483 /nfs/dbraw/zinc/08/04/83/1065080483.db2.gz DDEUILKPHUSOBH-WXVAWEFUSA-N 0 0 450.579 4.528 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001360206516 1065080499 /nfs/dbraw/zinc/08/04/99/1065080499.db2.gz YQJDGORQQOCOAS-AUSIDOKSSA-N 0 0 456.608 4.794 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435956941 1065080639 /nfs/dbraw/zinc/08/06/39/1065080639.db2.gz PMRLZEYWSSLZNC-OAHLLOKOSA-N 0 0 459.880 4.981 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC001360207605 1065080993 /nfs/dbraw/zinc/08/09/93/1065080993.db2.gz JULCWMZCEFJNHA-UHFFFAOYSA-N 0 0 456.542 4.589 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(Br)nc1 ZINC001360208933 1065080997 /nfs/dbraw/zinc/08/09/97/1065080997.db2.gz CMVHVDMBZYGSEO-UHFFFAOYSA-N 0 0 452.230 4.980 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001435957500 1065081195 /nfs/dbraw/zinc/08/11/95/1065081195.db2.gz NEOVRVSMRKWWGE-GOSISDBHSA-N 0 0 457.979 4.820 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)cc1 ZINC001360210015 1065081372 /nfs/dbraw/zinc/08/13/72/1065081372.db2.gz BOGLOJOWGYMXON-UHFFFAOYSA-N 0 0 450.329 4.821 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC001360210793 1065081397 /nfs/dbraw/zinc/08/13/97/1065081397.db2.gz PSXIIHDXVYBNMD-UHFFFAOYSA-N 0 0 455.942 4.786 20 0 JJADRN O=C(Oc1ccc(OC(F)(F)F)c(Br)c1)c1cc2c(cc1Cl)NC(=O)C2 ZINC001435958037 1065081526 /nfs/dbraw/zinc/08/15/26/1065081526.db2.gz QMBNMQSQARQYED-UHFFFAOYSA-N 0 0 450.594 4.715 20 0 JJADRN COc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC001435958043 1065081743 /nfs/dbraw/zinc/08/17/43/1065081743.db2.gz QPXFLQHQZWLHPU-KRWDZBQOSA-N 0 0 457.523 4.604 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)CCNC(=O)Cc3ccccc3)cc2C)c1 ZINC001360211967 1065081939 /nfs/dbraw/zinc/08/19/39/1065081939.db2.gz MGHMLMGUNCZKRH-UHFFFAOYSA-N 0 0 458.602 4.898 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cncnc1-c1ccccc1 ZINC001435958548 1065082278 /nfs/dbraw/zinc/08/22/78/1065082278.db2.gz WULMUVULBYIIAV-HXUWFJFHSA-N 0 0 454.368 4.674 20 0 JJADRN CCn1nc(C)c(CC(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001360212477 1065082256 /nfs/dbraw/zinc/08/22/56/1065082256.db2.gz UTOXMPDBTYMNNW-UHFFFAOYSA-N 0 0 458.578 4.634 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)cc2C)c1 ZINC001360212285 1065082361 /nfs/dbraw/zinc/08/23/61/1065082361.db2.gz QJTISXBKYZOAGJ-AHKZPQOWSA-N 0 0 471.601 4.764 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001360212106 1065082471 /nfs/dbraw/zinc/08/24/71/1065082471.db2.gz NMKGJKLQPYJALZ-UHFFFAOYSA-N 0 0 455.530 4.830 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 ZINC001435959350 1065082676 /nfs/dbraw/zinc/08/26/76/1065082676.db2.gz GGCBPZHBFVUEKV-QGZVFWFLSA-N 0 0 450.258 4.972 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)CC2 ZINC001435959597 1065082687 /nfs/dbraw/zinc/08/26/87/1065082687.db2.gz HGASUFKBDHEKHW-RTWAWAEBSA-N 0 0 451.364 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)Cn2ncc3ccccc32)c2ccccc2F)CC1 ZINC001360212558 1065082858 /nfs/dbraw/zinc/08/28/58/1065082858.db2.gz YNWIKGNKACLXPX-UHFFFAOYSA-N 0 0 452.530 4.608 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cc(Br)nn3C)cc2C)cc1 ZINC001360212543 1065082970 /nfs/dbraw/zinc/08/29/70/1065082970.db2.gz YAVKRRFIWGHXGH-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1Cc1cccc(C(F)(F)F)c1 ZINC001360212739 1065082984 /nfs/dbraw/zinc/08/29/84/1065082984.db2.gz FBCXBCURKDQNHR-UHFFFAOYSA-N 0 0 485.501 4.889 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001435959693 1065083161 /nfs/dbraw/zinc/08/31/61/1065083161.db2.gz ZBBBWZVOXCVGKP-JPYJTQIMSA-N 0 0 457.979 4.747 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCC ZINC001360214574 1065083205 /nfs/dbraw/zinc/08/32/05/1065083205.db2.gz MVEJLERZVPQYRZ-MRXNPFEDSA-N 0 0 454.995 4.904 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214681 1065083668 /nfs/dbraw/zinc/08/36/68/1065083668.db2.gz QIDVQQPHDSRKJM-MSOLQXFVSA-N 0 0 453.421 4.781 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)[C@H]1c1ccc(OC)cc1 ZINC001360216698 1065084635 /nfs/dbraw/zinc/08/46/35/1065084635.db2.gz MRVSFQXATUJFRF-UKILVPOCSA-N 0 0 458.562 4.789 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001360216697 1065084649 /nfs/dbraw/zinc/08/46/49/1065084649.db2.gz MRVSFQXATUJFRF-NOZRDPDXSA-N 0 0 458.562 4.789 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@H]1CCC[C@H]1C ZINC001360216616 1065084672 /nfs/dbraw/zinc/08/46/72/1065084672.db2.gz RBUDIFCLVQTHOM-UYAOXDASSA-N 0 0 471.621 4.542 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)[C@H]1c1ccc(OC)cc1 ZINC001360216696 1065084704 /nfs/dbraw/zinc/08/47/04/1065084704.db2.gz MRVSFQXATUJFRF-ILBGXUMGSA-N 0 0 458.562 4.789 20 0 JJADRN Cc1cc(C(F)F)n(CC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)n1 ZINC001360216638 1065084869 /nfs/dbraw/zinc/08/48/69/1065084869.db2.gz LJKPQOWXSNSUJI-UHFFFAOYSA-N 0 0 452.461 4.786 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)c1c(C)c3cc(Br)ccc3oc1=O)CCO2 ZINC001435965416 1065084785 /nfs/dbraw/zinc/08/47/85/1065084785.db2.gz ZLULQXXBHHYODO-KRWDZBQOSA-N 0 0 458.308 4.516 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC1(Sc2ccccc2)CC1 ZINC001360219938 1065085626 /nfs/dbraw/zinc/08/56/26/1065085626.db2.gz WWAQNTFFGYCIGC-MRXNPFEDSA-N 0 0 467.561 4.520 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1CCc1ccccc1C(F)(F)F ZINC001360218189 1065085687 /nfs/dbraw/zinc/08/56/87/1065085687.db2.gz FRJMWBCNMIHKMC-MJGOQNOKSA-N 0 0 463.548 4.694 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC001435967816 1065085751 /nfs/dbraw/zinc/08/57/51/1065085751.db2.gz MIFBHTNPKDIBSK-OAQYLSRUSA-N 0 0 453.970 4.727 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)Cc1cc(Cl)ccc1Br ZINC001435968523 1065085779 /nfs/dbraw/zinc/08/57/79/1065085779.db2.gz PXTIZJSVOVYNRP-KRWDZBQOSA-N 0 0 459.167 4.589 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001435967883 1065085835 /nfs/dbraw/zinc/08/58/35/1065085835.db2.gz XEMSFGBKSZYBCG-WMLDXEAASA-N 0 0 451.514 4.540 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 ZINC001435971697 1065086742 /nfs/dbraw/zinc/08/67/42/1065086742.db2.gz XPPGDMRCRNADSO-UHFFFAOYSA-N 0 0 452.580 4.836 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC2(Cc3cccc(F)c3)CCC2)cc1 ZINC001435970995 1065086834 /nfs/dbraw/zinc/08/68/34/1065086834.db2.gz QAWAZQPXDPTYMK-UHFFFAOYSA-N 0 0 458.599 4.674 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@H]1CC(c3cccc(Cl)c3F)=NO1)CC2 ZINC001435970976 1065086919 /nfs/dbraw/zinc/08/69/19/1065086919.db2.gz PPBWHVYIJOGGHM-GOSISDBHSA-N 0 0 459.905 4.908 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC2 ZINC001435972125 1065087226 /nfs/dbraw/zinc/08/72/26/1065087226.db2.gz XAIICGYYGLRFGB-IBGZPJMESA-N 0 0 453.421 4.972 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3cc4nc(C)cc(C(F)(F)F)n4n3)c2o1 ZINC001435973319 1065087725 /nfs/dbraw/zinc/08/77/25/1065087725.db2.gz AUZUQHACVUZDKN-UHFFFAOYSA-N 0 0 454.206 4.521 20 0 JJADRN Cc1ccc(-c2cnc(NC(=O)CCNC(=O)c3ccc(Br)cc3)s2)c(C)c1 ZINC001435972736 1065087757 /nfs/dbraw/zinc/08/77/57/1065087757.db2.gz JVMQGHAPIVOULG-UHFFFAOYSA-N 0 0 458.381 4.948 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001435973638 1065087774 /nfs/dbraw/zinc/08/77/74/1065087774.db2.gz CSLZRKJGGCEEFT-LJQANCHMSA-N 0 0 451.441 4.720 20 0 JJADRN Cc1sc(=O)n(CC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c1-c1ccc(F)cc1 ZINC001435974880 1065088077 /nfs/dbraw/zinc/08/80/77/1065088077.db2.gz HGYKDAYFNSLYRO-SFTDATJTSA-N 0 0 454.567 4.524 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001360226094 1065089059 /nfs/dbraw/zinc/08/90/59/1065089059.db2.gz GQXRYRMWTWYHHI-PMACEKPBSA-N 0 0 487.073 4.776 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CC(C)(C)c1cccs1 ZINC001360226227 1065089091 /nfs/dbraw/zinc/08/90/91/1065089091.db2.gz JUZVTUAPSNDKBR-LJQANCHMSA-N 0 0 453.612 4.503 20 0 JJADRN Cc1c(C(=O)OCc2ccc(OCCC(F)(F)F)cc2)nnn1-c1cccc2ncccc21 ZINC001435976013 1065089191 /nfs/dbraw/zinc/08/91/91/1065089191.db2.gz KTUIACFHGNZPAA-UHFFFAOYSA-N 0 0 456.424 4.812 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)Cn3c(=O)sc(C)c3-c3ccccc3)c2o1 ZINC001435977727 1065089585 /nfs/dbraw/zinc/08/95/85/1065089585.db2.gz UOEOMXGMKAPYQC-UHFFFAOYSA-N 0 0 458.337 4.736 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1scc(C)c1I)OC(C)C ZINC001435979677 1065090666 /nfs/dbraw/zinc/09/06/66/1065090666.db2.gz ZRDHMWAZHPMGEX-HNNXBMFYSA-N 0 0 459.349 4.566 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360228515 1065091194 /nfs/dbraw/zinc/09/11/94/1065091194.db2.gz XMBZGXXVKDBWIY-QFIPXVFZSA-N 0 0 496.656 4.775 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC001435980580 1065091061 /nfs/dbraw/zinc/09/10/61/1065091061.db2.gz PUVMBYGVTFEKMI-VGSWGCGISA-N 0 0 451.405 4.633 20 0 JJADRN O=C(Oc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435981451 1065091103 /nfs/dbraw/zinc/09/11/03/1065091103.db2.gz MHGQDWFYHIQKBZ-INIZCTEOSA-N 0 0 458.230 4.558 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O[C@@H](COC(C)C)c1cccc(F)c1 ZINC001435981047 1065091129 /nfs/dbraw/zinc/09/11/29/1065091129.db2.gz QODVUXKLQWXLKB-NRFANRHFSA-N 0 0 451.560 4.534 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCCCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360230157 1065091390 /nfs/dbraw/zinc/09/13/90/1065091390.db2.gz WUPHWBZPNNVQFN-UHFFFAOYSA-N 0 0 484.645 4.777 20 0 JJADRN CC(C)OC[C@H](OC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1cccc(F)c1 ZINC001435981721 1065091471 /nfs/dbraw/zinc/09/14/71/1065091471.db2.gz YPIGAADTXXERRS-UMFSSWHCSA-N 0 0 455.526 4.884 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@@H]4CCC[C@H](C(C)C)CC4)cnc32)c(OC)c1 ZINC001435981870 1065091742 /nfs/dbraw/zinc/09/17/42/1065091742.db2.gz QLHXEKNZQOFDGK-PGRDOPGGSA-N 0 0 450.583 4.832 20 0 JJADRN COc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(OC(F)F)c1 ZINC001360230031 1065091658 /nfs/dbraw/zinc/09/16/58/1065091658.db2.gz VBMPGMWSMQLCCH-UHFFFAOYSA-N 0 0 459.445 4.582 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H]1CCCCC1(F)F ZINC001360231485 1065091822 /nfs/dbraw/zinc/09/18/22/1065091822.db2.gz MNDVJMJJXQMMOP-SJORKVTESA-N 0 0 451.587 4.515 20 0 JJADRN CSc1ncc(C(=O)NCCc2ccc(Br)cc2F)n1-c1ccc(F)cc1 ZINC001360232058 1065092267 /nfs/dbraw/zinc/09/22/67/1065092267.db2.gz WOKMKLUSRDPAAT-UHFFFAOYSA-N 0 0 452.324 4.607 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1Cc1c(F)cccc1Cl ZINC001360231693 1065092379 /nfs/dbraw/zinc/09/23/79/1065092379.db2.gz PZRXDKLXHCOZHB-OAHLLOKOSA-N 0 0 461.994 4.530 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001435984382 1065092490 /nfs/dbraw/zinc/09/24/90/1065092490.db2.gz BGGWPDPXOVQFQJ-LBPRGKRZSA-N 0 0 458.219 4.792 20 0 JJADRN CCC(=O)c1cc(C(=O)Nc2nc3ccc(I)cc3s2)ccc1F ZINC001435984260 1065092588 /nfs/dbraw/zinc/09/25/88/1065092588.db2.gz GEWAMNCCNWMHAE-UHFFFAOYSA-N 0 0 454.264 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC001435984173 1065092603 /nfs/dbraw/zinc/09/26/03/1065092603.db2.gz GNJFKXMISOUTGL-ZFWWWQNUSA-N 0 0 455.395 4.979 20 0 JJADRN CN(C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1cccc(Br)n1 ZINC001435985510 1065092810 /nfs/dbraw/zinc/09/28/10/1065092810.db2.gz DLAGTABCUFTHEJ-UHFFFAOYSA-N 0 0 457.111 4.995 20 0 JJADRN Cc1nn(C(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC001360233091 1065092866 /nfs/dbraw/zinc/09/28/66/1065092866.db2.gz DWFNMRCZMOJRCC-HXUWFJFHSA-N 0 0 451.398 4.950 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435984751 1065093005 /nfs/dbraw/zinc/09/30/05/1065093005.db2.gz IJMIQCUNWQXPTF-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC001360233794 1065093196 /nfs/dbraw/zinc/09/31/96/1065093196.db2.gz QXVDEJXVHMUYTJ-RKVPGOIHSA-N 0 0 455.382 4.681 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435986275 1065093418 /nfs/dbraw/zinc/09/34/18/1065093418.db2.gz JTRUBRGVKAHVSX-OLMRKFRDSA-N 0 0 451.405 4.583 20 0 JJADRN CN(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)n1 ZINC001360233746 1065093467 /nfs/dbraw/zinc/09/34/67/1065093467.db2.gz PWJXIOCTFRKMJF-INIZCTEOSA-N 0 0 455.773 4.741 20 0 JJADRN O=C(Cc1ccccc1S(=O)(=O)C(F)F)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001435987699 1065094539 /nfs/dbraw/zinc/09/45/39/1065094539.db2.gz YBBFBFJUIWTBSV-UHFFFAOYSA-N 0 0 459.917 4.646 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001435987384 1065094735 /nfs/dbraw/zinc/09/47/35/1065094735.db2.gz WLXXHNDHUQJBRJ-UHFFFAOYSA-N 0 0 455.961 4.824 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c2ccccc2)cc1 ZINC001360239201 1065094992 /nfs/dbraw/zinc/09/49/92/1065094992.db2.gz NWPLPHJOXOYCCO-RLWLMLJZSA-N 0 0 457.574 4.720 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cn(Cc2cccs2)nn1 ZINC001435988679 1065095048 /nfs/dbraw/zinc/09/50/48/1065095048.db2.gz OTTXDQCJPXKCON-LJQANCHMSA-N 0 0 453.568 4.542 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc(I)cc2s1 ZINC001435988063 1065095168 /nfs/dbraw/zinc/09/51/68/1065095168.db2.gz RTIICWQOKLOUHO-UHFFFAOYSA-N 0 0 458.708 4.880 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)nc1C ZINC001435988722 1065095184 /nfs/dbraw/zinc/09/51/84/1065095184.db2.gz PAIQWYAXDMNHMI-FQEVSTJZSA-N 0 0 453.539 4.721 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c2ccccc2)cc1 ZINC001360239199 1065095277 /nfs/dbraw/zinc/09/52/77/1065095277.db2.gz NWPLPHJOXOYCCO-LVXARBLLSA-N 0 0 457.574 4.720 20 0 JJADRN COc1ccc(Br)cc1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC001360239652 1065095635 /nfs/dbraw/zinc/09/56/35/1065095635.db2.gz AIQFHZHQJOJYBP-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC001360242370 1065096274 /nfs/dbraw/zinc/09/62/74/1065096274.db2.gz KGBMLMCVCLPULR-HNNXBMFYSA-N 0 0 458.580 4.613 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001435990184 1065096148 /nfs/dbraw/zinc/09/61/48/1065096148.db2.gz YKEWBUITGPHVTJ-PWSUYJOCSA-N 0 0 456.255 4.921 20 0 JJADRN COc1cc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(Cl)c1OCC(C)C ZINC001435991254 1065096602 /nfs/dbraw/zinc/09/66/02/1065096602.db2.gz ZHGVNLICAQKFPM-IYBDPMFKSA-N 0 0 454.995 4.853 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCc1ccc(S(=O)(=O)CC)cc1 ZINC001360243221 1065096721 /nfs/dbraw/zinc/09/67/21/1065096721.db2.gz WSARHKPNEHNHOW-UHFFFAOYSA-N 0 0 451.610 4.587 20 0 JJADRN COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)Cc1ccc(I)cc1 ZINC001435992570 1065097187 /nfs/dbraw/zinc/09/71/87/1065097187.db2.gz SUTLDZKTPHYCCZ-FXAWDEMLSA-N 0 0 450.316 4.797 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 ZINC001435992727 1065097224 /nfs/dbraw/zinc/09/72/24/1065097224.db2.gz IFZCDNLSNONGRV-UHFFFAOYSA-N 0 0 453.391 4.791 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc1 ZINC001360247040 1065097556 /nfs/dbraw/zinc/09/75/56/1065097556.db2.gz OLOGFRFPDMGOKU-HXUWFJFHSA-N 0 0 458.624 4.809 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cnn(C(C)(C)C)c1I)CC2 ZINC001435993329 1065097610 /nfs/dbraw/zinc/09/76/10/1065097610.db2.gz ZDHCNYCYQHRVGB-KRWDZBQOSA-N 0 0 451.352 4.783 20 0 JJADRN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001435993601 1065097639 /nfs/dbraw/zinc/09/76/39/1065097639.db2.gz JRZRFQGSGLMZIC-HNNXBMFYSA-N 0 0 451.350 4.557 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC001435993226 1065097655 /nfs/dbraw/zinc/09/76/55/1065097655.db2.gz XTDRYKLLUHCVKF-HZPDHXFCSA-N 0 0 453.029 4.580 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCOC3)CC2=O)cc1 ZINC001435993619 1065097824 /nfs/dbraw/zinc/09/78/24/1065097824.db2.gz KGLKTJNKJXTKBX-OALUTQOASA-N 0 0 456.970 4.699 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001360249362 1065098179 /nfs/dbraw/zinc/09/81/79/1065098179.db2.gz GSQUDBGQPYRJGC-RUZDIDTESA-N 0 0 469.655 4.515 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)O[C@@H]3CCC[C@H]3Cc3cccc(Cl)c3)C2=O)c1 ZINC001435993942 1065098119 /nfs/dbraw/zinc/09/81/19/1065098119.db2.gz XZGUBPFIDOPWKB-VLCRHTCISA-N 0 0 454.954 4.808 20 0 JJADRN CC(C)CN(C(=O)CCS(=O)(=O)C1CCCC1)C(C)(C)c1ccc(Br)cc1 ZINC001435994054 1065098244 /nfs/dbraw/zinc/09/82/44/1065098244.db2.gz SIOKYHRFONAURH-UHFFFAOYSA-N 0 0 458.462 4.916 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1CCCC(C)(C)C ZINC001360250307 1065098763 /nfs/dbraw/zinc/09/87/63/1065098763.db2.gz ACTXYOFLNICKQS-OAHLLOKOSA-N 0 0 454.040 4.535 20 0 JJADRN CCn1c(SCC(=O)NCC2(CCOC)CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC001435996353 1065099352 /nfs/dbraw/zinc/09/93/52/1065099352.db2.gz REYRDPWLJHLJTN-UHFFFAOYSA-N 0 0 451.036 4.814 20 0 JJADRN COc1cc(C)c([C@H](C)OC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1C ZINC001435997792 1065099849 /nfs/dbraw/zinc/09/98/49/1065099849.db2.gz MTVPDSRNQCSSOS-ICSRJNTNSA-N 0 0 456.608 4.868 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC001360252872 1065100439 /nfs/dbraw/zinc/10/04/39/1065100439.db2.gz PBTJCYQEBUQEFV-YTTGMZPUSA-N 0 0 456.608 4.769 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001435999417 1065100801 /nfs/dbraw/zinc/10/08/01/1065100801.db2.gz PRVRZYDHMJDHBL-UHFFFAOYSA-N 0 0 455.946 4.674 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001360253212 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MJUVMFADMIASFR-INIZCTEOSA-N 0 0 452.448 4.524 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cn3)CC2=O)cc1 ZINC001436000890 1065102154 /nfs/dbraw/zinc/10/21/54/1065102154.db2.gz JRUJUMKSCXHJMG-MRXNPFEDSA-N 0 0 451.910 4.918 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)s1 ZINC001360255932 1065102416 /nfs/dbraw/zinc/10/24/16/1065102416.db2.gz DDWFWRIALCHCQT-RQZFFVEVSA-N 0 0 456.637 4.654 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360256632 1065103004 /nfs/dbraw/zinc/10/30/04/1065103004.db2.gz BDAQBWNCGZFJJG-SFHVURJKSA-N 0 0 492.089 4.793 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360258247 1065103497 /nfs/dbraw/zinc/10/34/97/1065103497.db2.gz HVAYGJGNTTUQCJ-LDJQZATESA-N 0 0 478.410 4.659 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)cc1Cl ZINC001436003027 1065103639 /nfs/dbraw/zinc/10/36/39/1065103639.db2.gz OVIDMIKCSQQEJF-UHFFFAOYSA-N 0 0 451.788 4.898 20 0 JJADRN 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1065122765 /nfs/dbraw/zinc/12/27/65/1065122765.db2.gz KNOTUJPUOINVIP-LUAWRHEFSA-N 0 0 459.287 4.736 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001360282274 1065122773 /nfs/dbraw/zinc/12/27/73/1065122773.db2.gz SXSVMISNPANKEX-JKSUJKDBSA-N 0 0 457.395 4.559 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC12CCC(CC1)C2 ZINC001360283971 1065123624 /nfs/dbraw/zinc/12/36/24/1065123624.db2.gz IGGJEOWWSAAWKZ-UHFFFAOYSA-N 0 0 462.063 4.765 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC001436028649 1065124088 /nfs/dbraw/zinc/12/40/88/1065124088.db2.gz HRWMOBWJPTTYQU-GCJKJVERSA-N 0 0 456.558 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2SCCc3ccccc32)[C@@H](c2cccc(F)c2)C1 ZINC001436028977 1065124158 /nfs/dbraw/zinc/12/41/58/1065124158.db2.gz KEJGZRIWGOTDAH-FGZHOGPDSA-N 0 0 456.583 4.977 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3cccc(F)c3)c21 ZINC001436029169 1065124747 /nfs/dbraw/zinc/12/47/47/1065124747.db2.gz LTZQCGZYJMQDCS-QFIPXVFZSA-N 0 0 451.542 4.979 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COCCc2ccccc2)cc1 ZINC001436029057 1065124777 /nfs/dbraw/zinc/12/47/77/1065124777.db2.gz KZQCPFZJQKTTRD-DEOSSOPVSA-N 0 0 452.595 4.629 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360286658 1065124939 /nfs/dbraw/zinc/12/49/39/1065124939.db2.gz NREWUNAEAFGRGY-DHIUTWEWSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001360287502 1065126185 /nfs/dbraw/zinc/12/61/85/1065126185.db2.gz OINNKZNYXIXCHX-ZSZQSSIHSA-N 0 0 494.865 4.901 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1 ZINC001360288529 1065126704 /nfs/dbraw/zinc/12/67/04/1065126704.db2.gz XBPCODAUIBJDHS-UHFFFAOYSA-N 0 0 456.930 4.525 20 0 JJADRN Cc1ccc(CC(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(Br)c1 ZINC001436031934 1065128013 /nfs/dbraw/zinc/12/80/13/1065128013.db2.gz BDHXKCPRMTXXPO-QFIPXVFZSA-N 0 0 451.405 4.550 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436031517 1065128020 /nfs/dbraw/zinc/12/80/20/1065128020.db2.gz QTWFMFYVYNSNJC-OAQYLSRUSA-N 0 0 454.489 4.529 20 0 JJADRN COc1ccc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccncc3)sc2c1 ZINC001436031721 1065128046 /nfs/dbraw/zinc/12/80/46/1065128046.db2.gz ANOXBTNRMVLWRQ-LJQANCHMSA-N 0 0 453.564 4.739 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cc(Br)cc(N3CCCC3)c2)cc1OC ZINC001360293338 1065128173 /nfs/dbraw/zinc/12/81/73/1065128173.db2.gz FDHXMXNYBFIGIB-ZDUSSCGKSA-N 0 0 451.336 4.697 20 0 JJADRN COC[C@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)c1cccc(C(F)(F)F)c1 ZINC001360293558 1065128263 /nfs/dbraw/zinc/12/82/63/1065128263.db2.gz LAJWFNGRFCYDEH-KRWDZBQOSA-N 0 0 450.436 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H](c2ccncc2)C1 ZINC001436032840 1065129268 /nfs/dbraw/zinc/12/92/68/1065129268.db2.gz IKZPNXUPMLTCHI-SFHVURJKSA-N 0 0 453.436 4.674 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CCCCC1 ZINC001360296102 1065129513 /nfs/dbraw/zinc/12/95/13/1065129513.db2.gz YPUVHPMNDWTYKP-UHFFFAOYSA-N 0 0 468.429 4.705 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCCCCC1 ZINC001436033100 1065129882 /nfs/dbraw/zinc/12/98/82/1065129882.db2.gz KRHJWDIUOKXVPB-INIZCTEOSA-N 0 0 456.352 4.820 20 0 JJADRN COC(=O)c1nc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cs1 ZINC001360296808 1065130240 /nfs/dbraw/zinc/13/02/40/1065130240.db2.gz XVUHAHHCOFCOKM-UHFFFAOYSA-N 0 0 450.303 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC001436033625 1065130595 /nfs/dbraw/zinc/13/05/95/1065130595.db2.gz RAAXKCLLGWBQMO-DEOSSOPVSA-N 0 0 456.974 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)[C@@H](c2ccncc2)C1 ZINC001436033312 1065130606 /nfs/dbraw/zinc/13/06/06/1065130606.db2.gz LHKACTKDEUKCSZ-OAQYLSRUSA-N 0 0 452.942 4.717 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360297085 1065130666 /nfs/dbraw/zinc/13/06/66/1065130666.db2.gz KBQYTEIAMYDHTJ-INIZCTEOSA-N 0 0 457.290 4.594 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@H](C)O1 ZINC001436033799 1065131532 /nfs/dbraw/zinc/13/15/32/1065131532.db2.gz MMPNAEVGCFBQEY-OKILXGFUSA-N 0 0 454.311 4.694 20 0 JJADRN CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC001436035797 1065131967 /nfs/dbraw/zinc/13/19/67/1065131967.db2.gz BGQDQXLRFVABSR-UHFFFAOYSA-N 0 0 452.780 4.542 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cccc(-n2cncn2)n1 ZINC001436037615 1065132854 /nfs/dbraw/zinc/13/28/54/1065132854.db2.gz LQQHAIKXQLROCL-UHFFFAOYSA-N 0 0 454.745 4.554 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001436037520 1065132917 /nfs/dbraw/zinc/13/29/17/1065132917.db2.gz JXAJTNITUHQKMM-SFHVURJKSA-N 0 0 451.737 4.745 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC001360300439 1065133591 /nfs/dbraw/zinc/13/35/91/1065133591.db2.gz PGWGFMMYWAHYAS-XIFFEERXSA-N 0 0 456.567 4.906 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)C(C)(C)C ZINC001436039220 1065134325 /nfs/dbraw/zinc/13/43/25/1065134325.db2.gz RDVWTYJMIGDSKR-FQEVSTJZSA-N 0 0 458.578 4.559 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[C@H](C)C2)cc1 ZINC001360302086 1065134906 /nfs/dbraw/zinc/13/49/06/1065134906.db2.gz RQQSHSZIUXXHPK-CALCHBBNSA-N 0 0 468.005 4.664 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Oc1cc(F)c(Br)cc1Cl ZINC001436042079 1065136375 /nfs/dbraw/zinc/13/63/75/1065136375.db2.gz DNWLFCCKNGPYRN-UHFFFAOYSA-N 0 0 454.679 4.614 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)cc1 ZINC001360303884 1065137141 /nfs/dbraw/zinc/13/71/41/1065137141.db2.gz BFLXNYMQBVPRTD-UHFFFAOYSA-N 0 0 484.695 4.840 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C2CCC2)cc1 ZINC001360304478 1065137280 /nfs/dbraw/zinc/13/72/80/1065137280.db2.gz KZODIZHRAVBFTI-FGZHOGPDSA-N 0 0 468.646 4.764 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)c2)c(C)c1 ZINC001436042823 1065137256 /nfs/dbraw/zinc/13/72/56/1065137256.db2.gz DSZXXLINWWWGSE-JOCHJYFZSA-N 0 0 453.583 4.831 20 0 JJADRN COc1ccc(CN(C(=O)c2nn(C(C)C)cc2Br)[C@H](C)C2CC2)c(OC)c1 ZINC001436043286 1065138014 /nfs/dbraw/zinc/13/80/14/1065138014.db2.gz FQGYUVUEXAFRLO-CQSZACIVSA-N 0 0 450.377 4.685 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC001360304489 1065138009 /nfs/dbraw/zinc/13/80/09/1065138009.db2.gz LFYNBNYREAQANB-KDURUIRLSA-N 0 0 497.594 4.570 20 0 JJADRN O=C(Nc1ccc(Br)c2cccnc12)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001436043705 1065138573 /nfs/dbraw/zinc/13/85/73/1065138573.db2.gz KGOYFDWCPMJUPZ-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)c4cccnc34)CC2=O)c(C)c1 ZINC001436044133 1065138672 /nfs/dbraw/zinc/13/86/72/1065138672.db2.gz OHDNICYYGYSNBU-MRXNPFEDSA-N 0 0 452.352 4.914 20 0 JJADRN O=C(NC1(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1)OCc1ccccc1 ZINC001436044715 1065139299 /nfs/dbraw/zinc/13/92/99/1065139299.db2.gz AKDPGQJSZSHPIF-UHFFFAOYSA-N 0 0 457.368 4.614 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccs2)cc1 ZINC001360305129 1065139412 /nfs/dbraw/zinc/13/94/12/1065139412.db2.gz WIXNPUUXCYDVMK-UHFFFAOYSA-N 0 0 475.622 4.540 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1sccc1Br ZINC001436045363 1065139939 /nfs/dbraw/zinc/13/99/39/1065139939.db2.gz HPXLQKYBIGAMEX-UHFFFAOYSA-N 0 0 456.530 4.699 20 0 JJADRN CC1(C)C[C@@H](C(=O)NCc2ccc(I)c(Cl)c2)c2ccccc2O1 ZINC001436045598 1065140697 /nfs/dbraw/zinc/14/06/97/1065140697.db2.gz KNLUTFWUPYGECS-CQSZACIVSA-N 0 0 455.723 4.906 20 0 JJADRN CC[C@H](C)[C@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001436047766 1065141959 /nfs/dbraw/zinc/14/19/59/1065141959.db2.gz GBFJPOLDKWBDKK-UQBPGWFLSA-N 0 0 456.542 4.958 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)Nc1cccc(OCCc2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001436047760 1065142061 /nfs/dbraw/zinc/14/20/61/1065142061.db2.gz GBFJPOLDKWBDKK-KBMIEXCESA-N 0 0 456.542 4.958 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCc4ccccc4[C@@]3(C)C(F)(F)F)n2)cc1 ZINC001436048510 1065142506 /nfs/dbraw/zinc/14/25/06/1065142506.db2.gz BWSMTAQWRGEUTN-QHCPKHFHSA-N 0 0 459.468 4.930 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCc4ccccc4[C@]3(C)C(F)(F)F)n2)cc1 ZINC001436048505 1065142533 /nfs/dbraw/zinc/14/25/33/1065142533.db2.gz BWSMTAQWRGEUTN-HSZRJFAPSA-N 0 0 459.468 4.930 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001360307000 1065142690 /nfs/dbraw/zinc/14/26/90/1065142690.db2.gz JEGJISSGYJEIEV-CYBMUJFWSA-N 0 0 453.873 4.812 20 0 JJADRN C[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(F)c(F)c1 ZINC001360307893 1065143081 /nfs/dbraw/zinc/14/30/81/1065143081.db2.gz BIXQUWDFMPMBGR-ZDUSSCGKSA-N 0 0 451.441 4.959 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccccc2SC)nnc1-c1ccccc1 ZINC001436048868 1065143087 /nfs/dbraw/zinc/14/30/87/1065143087.db2.gz 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CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)CCOC1 ZINC001360321721 1065159252 /nfs/dbraw/zinc/15/92/52/1065159252.db2.gz NOYGGCJMBJHKTF-OFVILXPXSA-N 0 0 458.672 4.832 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC2=CCCCC2)CCOC1 ZINC001360321519 1065159347 /nfs/dbraw/zinc/15/93/47/1065159347.db2.gz MBNMEJZPAAZARI-VWLOTQADSA-N 0 0 488.032 4.547 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)CCOC1 ZINC001360322194 1065159373 /nfs/dbraw/zinc/15/93/73/1065159373.db2.gz SAMFQYSOMZNRAP-HSZRJFAPSA-N 0 0 484.563 4.790 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001436070932 1065159599 /nfs/dbraw/zinc/15/95/99/1065159599.db2.gz VEQOQHDGZGLOQB-HNNXBMFYSA-N 0 0 455.723 4.690 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)sc1Cc1ccc(F)cc1F ZINC001436073107 1065161688 /nfs/dbraw/zinc/16/16/88/1065161688.db2.gz ISJSFSQQURIXDS-HNNXBMFYSA-N 0 0 459.493 4.760 20 0 JJADRN COc1cc(Br)c(C(=O)Oc2cc(Br)cc(F)c2F)cc1OC ZINC001436074367 1065162835 /nfs/dbraw/zinc/16/28/35/1065162835.db2.gz GQHUYBAWDWMXQJ-UHFFFAOYSA-N 0 0 452.045 4.726 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360324492 1065163649 /nfs/dbraw/zinc/16/36/49/1065163649.db2.gz PCUXODQNBAVBFT-RTAGSNTHSA-N 0 0 488.698 4.690 20 0 JJADRN Cc1nc(NC(=O)c2c(C)nn(C)c2Br)sc1Cc1ccc(Cl)cc1F ZINC001436075121 1065163800 /nfs/dbraw/zinc/16/38/00/1065163800.db2.gz XFCLHUQBVRFMBZ-UHFFFAOYSA-N 0 0 457.756 4.892 20 0 JJADRN COC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC001436074862 1065163813 /nfs/dbraw/zinc/16/38/13/1065163813.db2.gz FLLNNYCONKVOTR-XMMPIXPASA-N 0 0 450.966 4.849 20 0 JJADRN COc1cc(CC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc(OC)c1OC ZINC001436075050 1065163851 /nfs/dbraw/zinc/16/38/51/1065163851.db2.gz FOPSOIMTYPTNKA-KRWDZBQOSA-N 0 0 452.320 4.520 20 0 JJADRN COc1cc(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc(OC)c1OC ZINC001436075051 1065163859 /nfs/dbraw/zinc/16/38/59/1065163859.db2.gz 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CCCOc1ccc(-c2nc(C(=O)OCc3cn(-c4ccc(F)c(C)c4)nn3)cs2)cc1 ZINC001436077808 1065165949 /nfs/dbraw/zinc/16/59/49/1065165949.db2.gz HBEPQQJPZCPLOF-UHFFFAOYSA-N 0 0 452.511 4.984 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc4ccccc4[nH]3)n2CCCC(F)(F)F)CCOC1 ZINC001360325144 1065166303 /nfs/dbraw/zinc/16/63/03/1065166303.db2.gz YYDBLTZQMWSYIQ-QFIPXVFZSA-N 0 0 465.520 4.779 20 0 JJADRN Cc1cnc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)nc1-c1ccccc1 ZINC001436079582 1065166488 /nfs/dbraw/zinc/16/64/88/1065166488.db2.gz WDDGTUHQFQHUED-UHFFFAOYSA-N 0 0 458.831 4.957 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001436079448 1065166510 /nfs/dbraw/zinc/16/65/10/1065166510.db2.gz RMWUVHQNJVBYSI-OAQYLSRUSA-N 0 0 453.963 4.655 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cscn3)n2CC(C)(C)c2cccc(F)c2)CCOC1 ZINC001360325306 1065166880 /nfs/dbraw/zinc/16/68/80/1065166880.db2.gz BNRWKCINSCPLGF-XMMPIXPASA-N 0 0 473.618 4.529 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1)c1ccccc1 ZINC001436080576 1065167103 /nfs/dbraw/zinc/16/71/03/1065167103.db2.gz BPBWOLAIFKYOHV-MRXNPFEDSA-N 0 0 459.493 4.954 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360325719 1065167496 /nfs/dbraw/zinc/16/74/96/1065167496.db2.gz KSOBGXQOTZLVJZ-VGOFRKELSA-N 0 0 495.487 4.984 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360325720 1065167502 /nfs/dbraw/zinc/16/75/02/1065167502.db2.gz KSOBGXQOTZLVJZ-VGSWGCGISA-N 0 0 495.487 4.984 20 0 JJADRN O=C(COc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001436080909 1065167629 /nfs/dbraw/zinc/16/76/29/1065167629.db2.gz HFZFJHPODRVMDV-AWEZNQCLSA-N 0 0 456.411 4.888 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC3)n2Cc2cccc(COC(C)(C)C)c2)CCOC1 ZINC001360325948 1065168140 /nfs/dbraw/zinc/16/81/40/1065168140.db2.gz OWOOYBAVBBMQNN-SANMLTNESA-N 0 0 456.631 4.528 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccsc3)n2C[C@H](C)Oc2ccccc2F)CCOC1 ZINC001360325935 1065168186 /nfs/dbraw/zinc/16/81/86/1065168186.db2.gz OSAWOEKDSIFQRC-MHECFPHRSA-N 0 0 474.602 4.623 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)OCc1csc(C(F)(F)F)n1 ZINC001436081922 1065168257 /nfs/dbraw/zinc/16/82/57/1065168257.db2.gz FVOBUPMBEJGVER-NSHDSACASA-N 0 0 453.529 4.570 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2CCCc2ccccc2F)CCOC1 ZINC001360326287 1065168703 /nfs/dbraw/zinc/16/87/03/1065168703.db2.gz VXZVONYHSZYFCU-HFZDXXHNSA-N 0 0 456.606 4.883 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2C[C@](C)(O)C2CCCCC2)CCOC1 ZINC001360326198 1065168739 /nfs/dbraw/zinc/16/87/39/1065168739.db2.gz UCDSVEHUYQUETC-UIOOFZCWSA-N 0 0 462.679 4.667 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC(F)(F)C3)n2Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC001360326426 1065169439 /nfs/dbraw/zinc/16/94/39/1065169439.db2.gz YYOIDQJFACFBLQ-OAQYLSRUSA-N 0 0 488.501 4.867 20 0 JJADRN CC(C)Cc1ccc([C@H](C)C(=O)NCCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC001360327533 1065169896 /nfs/dbraw/zinc/16/98/96/1065169896.db2.gz XBMVECLWJVUTMX-SFHVURJKSA-N 0 0 459.428 4.916 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC001436085093 1065170101 /nfs/dbraw/zinc/17/01/01/1065170101.db2.gz DQBMNMYHGPOAJH-URVUXULASA-N 0 0 455.046 4.859 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2CCc2cc(C(F)(F)F)ccn2)CCOC1 ZINC001360328161 1065170728 /nfs/dbraw/zinc/17/07/28/1065170728.db2.gz ANUUTERYAHJOPJ-XMMPIXPASA-N 0 0 495.590 4.992 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ncc(-c4ccccc4)cn3)[nH]c(=O)c2c1C ZINC001436085676 1065170930 /nfs/dbraw/zinc/17/09/30/1065170930.db2.gz ZVEIKWXGAZPPGQ-CQSZACIVSA-N 0 0 451.577 4.731 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2Cc2cccc(C(F)F)c2)CCOC1 ZINC001360328436 1065171253 /nfs/dbraw/zinc/17/12/53/1065171253.db2.gz GCVSVJBNJJDZMY-FQEVSTJZSA-N 0 0 462.463 4.693 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001436086921 1065171469 /nfs/dbraw/zinc/17/14/69/1065171469.db2.gz PMSCUHJAIQRVRE-DOTOQJQBSA-N 0 0 450.258 4.940 20 0 JJADRN COc1cccc(C2(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CCOCC2)c1F ZINC001436087324 1065171626 /nfs/dbraw/zinc/17/16/26/1065171626.db2.gz KXVICGSFLUUJMY-UHFFFAOYSA-N 0 0 458.530 4.546 20 0 JJADRN CCCN(C(=O)COc1ccc(F)cc1Br)[C@@H](C)C(=O)Nc1ccccc1C ZINC001436087991 1065172075 /nfs/dbraw/zinc/17/20/75/1065172075.db2.gz NPVMDXCQUWYOTK-HNNXBMFYSA-N 0 0 451.336 4.541 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(C(F)(F)F)c2)c(Br)c1 ZINC001436088190 1065172085 /nfs/dbraw/zinc/17/20/85/1065172085.db2.gz OJQXUODPKUPERP-MRXNPFEDSA-N 0 0 457.290 4.993 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccc(-c3nc[nH]n3)cc2F)nnc1-c1ccccc1 ZINC001436089521 1065172865 /nfs/dbraw/zinc/17/28/65/1065172865.db2.gz OGISYHOGVPYDFR-AWEZNQCLSA-N 0 0 451.531 4.571 20 0 JJADRN CCO[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)c1ccccc1 ZINC001436089476 1065172917 /nfs/dbraw/zinc/17/29/17/1065172917.db2.gz FNUBMKFHLUYENO-INIZCTEOSA-N 0 0 455.292 4.716 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)OC3CCCC3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001360329695 1065173064 /nfs/dbraw/zinc/17/30/64/1065173064.db2.gz BXRIMMCCTAEQLI-QHCPKHFHSA-N 0 0 466.985 4.664 20 0 JJADRN Cn1nccc1[C@H]1CCCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001436090016 1065173308 /nfs/dbraw/zinc/17/33/08/1065173308.db2.gz HQFDSHRGWUUDQC-OAHLLOKOSA-N 0 0 451.415 4.664 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360330257 1065173564 /nfs/dbraw/zinc/17/35/64/1065173564.db2.gz IWTZEXZMZJOCNJ-YCRNBWNJSA-N 0 0 470.605 4.538 20 0 JJADRN Cc1cc(CNC(=O)c2cc(OCc3ccccc3)ccn2)ccc1I ZINC001436090887 1065174232 /nfs/dbraw/zinc/17/42/32/1065174232.db2.gz MHRINMGKJNNNQJ-UHFFFAOYSA-N 0 0 458.299 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3ccco3)C(C)C)n2CCc2cccc(F)c2)CCOC1 ZINC001360330286 1065174427 /nfs/dbraw/zinc/17/44/27/1065174427.db2.gz JAZKKPGGCDTNDD-RUZDIDTESA-N 0 0 456.562 4.709 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1C(=O)N1CCCCC1 ZINC001436092694 1065174769 /nfs/dbraw/zinc/17/47/69/1065174769.db2.gz PDBLTUBLJRUKGP-LVXARBLLSA-N 0 0 455.599 4.597 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(-c4ccc(Br)o4)ncn3)c2)n1 ZINC001436092369 1065174807 /nfs/dbraw/zinc/17/48/07/1065174807.db2.gz JAEVALFICHNUJS-UHFFFAOYSA-N 0 0 452.312 4.613 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2cc(C(C)(C)C)no2)CCOC1 ZINC001360331059 1065174911 /nfs/dbraw/zinc/17/49/11/1065174911.db2.gz PUMUYDHUHCOYAL-QHCPKHFHSA-N 0 0 499.578 4.821 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001360331086 1065174926 /nfs/dbraw/zinc/17/49/26/1065174926.db2.gz UKDKCGNXWBTKLJ-MRXNPFEDSA-N 0 0 459.509 4.703 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3c(Br)cnn3C)ccc2OC(F)F)cc1 ZINC001436093242 1065175637 /nfs/dbraw/zinc/17/56/37/1065175637.db2.gz WENXLUAAPSELKG-UHFFFAOYSA-N 0 0 452.255 4.712 20 0 JJADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001436093046 1065175647 /nfs/dbraw/zinc/17/56/47/1065175647.db2.gz RSZTYUOITGYWBU-UHFFFAOYSA-N 0 0 451.413 4.785 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2Cc2ccc(F)c(Cl)c2)CCOC1 ZINC001360331167 1065175577 /nfs/dbraw/zinc/17/55/77/1065175577.db2.gz RFXBNRQYCLFPDU-DEOSSOPVSA-N 0 0 481.012 4.553 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2CCC2CCOCC2)CCOC1 ZINC001360331185 1065175645 /nfs/dbraw/zinc/17/56/45/1065175645.db2.gz RLDUCUZDEWDOBC-AREMUKBSSA-N 0 0 474.621 4.690 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@](C)(OC)C(=O)OC(C)(C)C)ccc2OC(F)F)cc1 ZINC001436093161 1065175706 /nfs/dbraw/zinc/17/57/06/1065175706.db2.gz SCJPSCVSTUAVBR-QHCPKHFHSA-N 0 0 451.466 4.649 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CCOC1 ZINC001360331653 1065176316 /nfs/dbraw/zinc/17/63/16/1065176316.db2.gz XVMWAOJKQSEDSU-RWCIVJTCSA-N 0 0 488.648 4.934 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccccc3F)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360331716 1065176776 /nfs/dbraw/zinc/17/67/76/1065176776.db2.gz YYEJWDAZMRZQAC-QHCPKHFHSA-N 0 0 495.020 4.736 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCCSC2)CCOC1 ZINC001360331704 1065176794 /nfs/dbraw/zinc/17/67/94/1065176794.db2.gz YSNDGIJRVRMJMV-WIYYLYMNSA-N 0 0 476.609 4.631 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC(=O)N2CCCCCC2)CCOC1 ZINC001360331711 1065176911 /nfs/dbraw/zinc/17/69/11/1065176911.db2.gz YURYFNYFTSILIC-CUNXSJBXSA-N 0 0 489.705 4.516 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC001360332406 1065177748 /nfs/dbraw/zinc/17/77/48/1065177748.db2.gz VESWLBVIKYQSER-CYBMUJFWSA-N 0 0 451.375 4.667 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)c1ccc(C(F)(F)F)nc1C)c1ccc(Br)cc1C ZINC001436096669 1065177781 /nfs/dbraw/zinc/17/77/81/1065177781.db2.gz WNORQQRHXXWRFP-LBPRGKRZSA-N 0 0 459.262 4.688 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1F ZINC001436097077 1065177836 /nfs/dbraw/zinc/17/78/36/1065177836.db2.gz HLEFFOPOBRPVNZ-UHFFFAOYSA-N 0 0 456.315 4.816 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001360333229 1065178186 /nfs/dbraw/zinc/17/81/86/1065178186.db2.gz GSTWLIAKJMRSMV-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)COc1ccc(Cl)cc1C)c1ccc(Br)cc1C ZINC001436097816 1065178211 /nfs/dbraw/zinc/17/82/11/1065178211.db2.gz NNRQWWUYJIYKDY-AWEZNQCLSA-N 0 0 454.748 4.693 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOC1 ZINC001360333330 1065178855 /nfs/dbraw/zinc/17/88/55/1065178855.db2.gz HDVCQORSKYSDMG-KEXUJGGDSA-N 0 0 488.595 4.691 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)ccc1F ZINC001360333438 1065178869 /nfs/dbraw/zinc/17/88/69/1065178869.db2.gz JRCKODBKASFEEH-BENRWUELSA-N 0 0 459.568 4.735 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)CCOC1 ZINC001360333591 1065178885 /nfs/dbraw/zinc/17/88/85/1065178885.db2.gz JKCPQPFHAIXAPJ-XLJIZYSNSA-N 0 0 495.437 4.884 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC001360333470 1065178913 /nfs/dbraw/zinc/17/89/13/1065178913.db2.gz KFBSMBWGTJRPIS-FQEVSTJZSA-N 0 0 454.977 4.918 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)CCOC1 ZINC001360334000 1065179397 /nfs/dbraw/zinc/17/93/97/1065179397.db2.gz MASHJMZLKDEUBF-RRPNLBNLSA-N 0 0 474.690 4.833 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(c2cnc3ccccc3c2)C(C)C)cc1 ZINC001436100367 1065179940 /nfs/dbraw/zinc/17/99/40/1065179940.db2.gz PLSQQQJQGVSRSS-UHFFFAOYSA-N 0 0 453.608 4.640 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC001360334637 1065180006 /nfs/dbraw/zinc/18/00/06/1065180006.db2.gz RWIFVZUOFMFPKI-IVPXXNPKSA-N 0 0 476.609 4.943 20 0 JJADRN Cc1cc(C(=O)NCCc2ccc(Br)cc2)c2cnn(Cc3cccs3)c2n1 ZINC001360334384 1065180099 /nfs/dbraw/zinc/18/00/99/1065180099.db2.gz VSUBZTJKKXJDBD-UHFFFAOYSA-N 0 0 455.381 4.585 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC001436102439 1065181256 /nfs/dbraw/zinc/18/12/56/1065181256.db2.gz 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451.405 4.764 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)Nc3ccnn3-c3ccc(Br)cn3)nc2)c1 ZINC001436120046 1065193053 /nfs/dbraw/zinc/19/30/53/1065193053.db2.gz WTDXUMLWVXDJIV-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3c3ccccc3)n2CCCNC(=O)OC(C)(C)C)CCOC1 ZINC001360343327 1065193000 /nfs/dbraw/zinc/19/30/00/1065193000.db2.gz JSCMWDUEUFYYMC-AJTFRIOCSA-N 0 0 499.656 4.575 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@H]3Cc3ccccc3)n2CCSC(C)C)CCOC1 ZINC001360343350 1065193637 /nfs/dbraw/zinc/19/36/37/1065193637.db2.gz JZSHXBVTMAUYPA-WIOPSUGQSA-N 0 0 458.672 4.672 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCC3(C)C)n2Cc2ccccc2C(F)(F)F)CCOC1 ZINC001360344183 1065193786 /nfs/dbraw/zinc/19/37/86/1065193786.db2.gz XPUIRGXEJUBQBA-JOCHJYFZSA-N 0 0 452.521 4.765 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3cnn(-c4ccccc4Cl)c3C(C)C)CC2=O)cc1 ZINC001436120597 1065193674 /nfs/dbraw/zinc/19/36/74/1065193674.db2.gz QNKQWJXITLFSBS-LJQANCHMSA-N 0 0 450.970 4.945 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCOC1 ZINC001360345230 1065194220 /nfs/dbraw/zinc/19/42/20/1065194220.db2.gz DLKACQLDELKBOE-TVZXLZGTSA-N 0 0 462.679 4.931 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360344963 1065194260 /nfs/dbraw/zinc/19/42/60/1065194260.db2.gz WGGIQGCNLPYZEM-NSHDSACASA-N 0 0 453.841 4.611 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001436121311 1065194972 /nfs/dbraw/zinc/19/49/72/1065194972.db2.gz PUENBCSYWZSVKD-PQNGQFLHSA-N 0 0 456.380 4.851 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C3CC3)C2)n1 ZINC001436121664 1065195116 /nfs/dbraw/zinc/19/51/16/1065195116.db2.gz UARHYLJYAYRUFL-UWJYYQICSA-N 0 0 456.608 4.893 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001436122067 1065195719 /nfs/dbraw/zinc/19/57/19/1065195719.db2.gz AFCADQWXIFVFPP-LLVKDONJSA-N 0 0 450.347 4.690 20 0 JJADRN 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ZINC001360352345 1065200079 /nfs/dbraw/zinc/20/00/79/1065200079.db2.gz OUGFVVHIOXXGLZ-FOUBCARRSA-N 0 0 472.646 4.578 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC=CCC2)cc1 ZINC001360353970 1065201177 /nfs/dbraw/zinc/20/11/77/1065201177.db2.gz ABCBWDXTBDHHCM-UHFFFAOYSA-N 0 0 456.388 4.648 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001436127699 1065201236 /nfs/dbraw/zinc/20/12/36/1065201236.db2.gz MMNUQZXHHCZUKU-VGOFRKELSA-N 0 0 452.551 4.516 20 0 JJADRN Cc1cccc(OCCCNC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC001436128387 1065201303 /nfs/dbraw/zinc/20/13/03/1065201303.db2.gz FLMRHZWZZIYDCS-QFIPXVFZSA-N 0 0 454.636 4.701 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)cc2)C1 ZINC001436128436 1065201427 /nfs/dbraw/zinc/20/14/27/1065201427.db2.gz JUUVWXDVMSENGK-JHBZICRXSA-N 0 0 458.599 4.558 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001360354052 1065201702 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SVINBQGLUVWUIE-QGZVFWFLSA-N 0 0 455.990 4.833 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001360354844 1065204395 /nfs/dbraw/zinc/20/43/95/1065204395.db2.gz YFPXRYVDYSRPHM-UHFFFAOYSA-N 0 0 497.043 4.524 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCCCc2ccc(Cl)cc2)c1 ZINC001360355219 1065204763 /nfs/dbraw/zinc/20/47/63/1065204763.db2.gz OTQCWNJTSDDZJN-QFIPXVFZSA-N 0 0 456.970 4.859 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC001360355293 1065204831 /nfs/dbraw/zinc/20/48/31/1065204831.db2.gz RCHMXOWSJRSYHR-NRFANRHFSA-N 0 0 454.954 4.568 20 0 JJADRN Cc1nsc(C)c1C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001436133021 1065205412 /nfs/dbraw/zinc/20/54/12/1065205412.db2.gz VJODQFOISBFFQF-KRWDZBQOSA-N 0 0 455.443 4.939 20 0 JJADRN CC(C)CN1C[C@@H]2CN(C(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)CCN2C1=O ZINC001436133032 1065205433 /nfs/dbraw/zinc/20/54/33/1065205433.db2.gz RSWKCJIWEXLITA-ZYOLYQLMSA-N 0 0 464.437 4.796 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC001436133802 1065205751 /nfs/dbraw/zinc/20/57/51/1065205751.db2.gz BPQOYQKWELQRSZ-UHFFFAOYSA-N 0 0 453.651 4.808 20 0 JJADRN COCCC[C@H](Cc1ccccc1)NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 ZINC001436134588 1065205945 /nfs/dbraw/zinc/20/59/45/1065205945.db2.gz KFJMMHBKCDBHLP-GOSISDBHSA-N 0 0 455.961 4.921 20 0 JJADRN CCc1c(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001436135216 1065206343 /nfs/dbraw/zinc/20/63/43/1065206343.db2.gz NBRHJXMHVYXIGY-HNNXBMFYSA-N 0 0 450.505 4.867 20 0 JJADRN CCc1c(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001436134776 1065206495 /nfs/dbraw/zinc/20/64/95/1065206495.db2.gz JQQPSIUHXKLXNW-LIRRHRJNSA-N 0 0 450.942 4.622 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)C1(CCOCc2ccccc2)CC1 ZINC001436136099 1065207123 /nfs/dbraw/zinc/20/71/23/1065207123.db2.gz ATGWDKCUGIOGBR-UHFFFAOYSA-N 0 0 456.340 4.502 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NCc1ccc(-c2ccco2)cc1F 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PKSCPCHOOPCCQD-UHFFFAOYSA-N 0 0 455.643 4.911 20 0 JJADRN COC(=O)c1ccc(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c(F)c1 ZINC001436137091 1065208216 /nfs/dbraw/zinc/20/82/16/1065208216.db2.gz IFRUGWJZYHDSLM-UHFFFAOYSA-N 0 0 454.523 4.764 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC3CCCC3)nnc2N(C)C[C@@H](C)c2nccs2)cn1 ZINC001360357203 1065208239 /nfs/dbraw/zinc/20/82/39/1065208239.db2.gz FBXIFZCFXKGNJC-GOSISDBHSA-N 0 0 454.644 4.938 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)Cc2cnccn2)cn1 ZINC001360357578 1065208713 /nfs/dbraw/zinc/20/87/13/1065208713.db2.gz LDXKCTKVQRVHOP-UHFFFAOYSA-N 0 0 496.040 4.881 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001360357453 1065208824 /nfs/dbraw/zinc/20/88/24/1065208824.db2.gz RXSZXEABQVBEOC-VGSWGCGISA-N 0 0 453.583 4.817 20 0 JJADRN CC(C)C[C@](C)(NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc(Br)c1 ZINC001436138444 1065209333 /nfs/dbraw/zinc/20/93/33/1065209333.db2.gz ORXVPUZFESWHGB-QHCPKHFHSA-N 0 0 459.384 4.790 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N(C)Cc3nc(C(F)(F)F)cs3)nnc2C(C)(C)C)cn1 ZINC001360357837 1065209289 /nfs/dbraw/zinc/20/92/89/1065209289.db2.gz OKBVTYBJOZKQBM-UHFFFAOYSA-N 0 0 468.549 4.918 20 0 JJADRN CC(C)Oc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccoc2)cn1 ZINC001360357842 1065209365 /nfs/dbraw/zinc/20/93/65/1065209365.db2.gz OLYSVXPHCATMFG-UHFFFAOYSA-N 0 0 467.957 4.970 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CCc2ccc(Cl)cc2)cn1 ZINC001360357702 1065209493 /nfs/dbraw/zinc/20/94/93/1065209493.db2.gz NVWPFNQDRLRLQA-UHFFFAOYSA-N 0 0 477.012 4.827 20 0 JJADRN CC(C)C[C@@](C)(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001436139652 1065209754 /nfs/dbraw/zinc/20/97/54/1065209754.db2.gz ZTBBKVGRLUNPGN-NTKDMRAZSA-N 0 0 457.412 4.875 20 0 JJADRN CCC(CC)N(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1cccc(C)c1 ZINC001436140677 1065210720 /nfs/dbraw/zinc/21/07/20/1065210720.db2.gz KLOWLKDHKBMNGJ-HNNXBMFYSA-N 0 0 457.368 4.964 20 0 JJADRN Cc1cc(C)c(C(=O)OCc2cc(Br)c(Cl)c(Br)c2)c(=O)o1 ZINC001436141122 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COC[C@@H](OC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nccs1 ZINC001436145612 1065213175 /nfs/dbraw/zinc/21/31/75/1065213175.db2.gz ZNFDSETUUNNBPV-CYBMUJFWSA-N 0 0 459.364 4.570 20 0 JJADRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1cccc(Oc2cnccn2)c1 ZINC001436146686 1065213300 /nfs/dbraw/zinc/21/33/00/1065213300.db2.gz QUIRLZJEPSBHQC-UHFFFAOYSA-N 0 0 454.309 4.802 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)c1 ZINC001360360184 1065213381 /nfs/dbraw/zinc/21/33/81/1065213381.db2.gz PUBALHWJXUMZJJ-LJQANCHMSA-N 0 0 493.555 4.781 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001360360228 1065213427 /nfs/dbraw/zinc/21/34/27/1065213427.db2.gz QTYLJJJDVXCLMJ-QFIPXVFZSA-N 0 0 492.668 4.926 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)s1 ZINC001436147565 1065213857 /nfs/dbraw/zinc/21/38/57/1065213857.db2.gz JYRGZZRIYBHSKG-UHFFFAOYSA-N 0 0 452.557 4.794 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001360360254 1065213715 /nfs/dbraw/zinc/21/37/15/1065213715.db2.gz RIGCBEDJZPWZMO-BKMJKUGQSA-N 0 0 463.626 4.749 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001360360255 1065213821 /nfs/dbraw/zinc/21/38/21/1065213821.db2.gz RIGCBEDJZPWZMO-GJZUVCINSA-N 0 0 463.626 4.749 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)O[C@H](C)c3cccc(OCc4ccccc4)c3)CC2=O)cc1 ZINC001436147728 1065214257 /nfs/dbraw/zinc/21/42/57/1065214257.db2.gz JHTIDHHIVLTNDL-YKSBVNFPSA-N 0 0 459.542 4.927 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nc3c(cccc3Cl)s2)c1 ZINC001436148138 1065214486 /nfs/dbraw/zinc/21/44/86/1065214486.db2.gz LDGMSEMKQNBMMV-UHFFFAOYSA-N 0 0 452.001 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCCc1c[nH]c2ccccc12 ZINC001545895786 1065214890 /nfs/dbraw/zinc/21/48/90/1065214890.db2.gz FRXFAINPRDDELA-HHHXNRCGSA-N 0 0 480.657 4.706 20 0 JJADRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001436149449 1065215050 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ZINC001436180396 1065232712 /nfs/dbraw/zinc/23/27/12/1065232712.db2.gz AHSWWSQDLXCRCI-RBBKRZOGSA-N 0 0 456.428 4.820 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)[C@@H](c3c(F)cccc3Cl)N3CCCCC3)cn2)cc1 ZINC001436180592 1065232826 /nfs/dbraw/zinc/23/28/26/1065232826.db2.gz ALYQGPAKMAKDER-HSZRJFAPSA-N 0 0 456.949 4.898 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2occc2Br)C1 ZINC001436180534 1065232839 /nfs/dbraw/zinc/23/28/39/1065232839.db2.gz CMXFOSLLYMTWQD-AWEZNQCLSA-N 0 0 456.178 4.820 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360376270 1065233885 /nfs/dbraw/zinc/23/38/85/1065233885.db2.gz ZDJDCOHKCUIKGP-LJQANCHMSA-N 0 0 460.669 4.600 20 0 JJADRN CC[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1ccc(F)cn1 ZINC001436181338 1065233872 /nfs/dbraw/zinc/23/38/72/1065233872.db2.gz CAEAASCQOPDKRP-SBUREZEXSA-N 0 0 450.510 4.929 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 ZINC001436181376 1065233988 /nfs/dbraw/zinc/23/39/88/1065233988.db2.gz FTBCOEHNSFKQRQ-UHFFFAOYSA-N 0 0 454.695 4.632 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC001360375776 1065233927 /nfs/dbraw/zinc/23/39/27/1065233927.db2.gz UGWGXMORRCEOQV-GGAORHGYSA-N 0 0 492.611 4.745 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001436182820 1065234598 /nfs/dbraw/zinc/23/45/98/1065234598.db2.gz OOHLJWKEIOUXFY-HXUWFJFHSA-N 0 0 453.384 4.650 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 ZINC001436183176 1065235019 /nfs/dbraw/zinc/23/50/19/1065235019.db2.gz QWWUXGOMAUGOOI-HXUWFJFHSA-N 0 0 458.400 4.813 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c1 ZINC001436183182 1065235119 /nfs/dbraw/zinc/23/51/19/1065235119.db2.gz UXQXLKVSUYDLKT-UHFFFAOYSA-N 0 0 454.695 4.632 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001360376478 1065235128 /nfs/dbraw/zinc/23/51/28/1065235128.db2.gz FCVOUNGNKDAFSM-NRFANRHFSA-N 0 0 487.446 4.988 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1 ZINC001360376421 1065235210 /nfs/dbraw/zinc/23/52/10/1065235210.db2.gz CUDZIVHVOCRJFT-CQSZACIVSA-N 0 0 459.479 4.916 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545895959 1065235568 /nfs/dbraw/zinc/23/55/68/1065235568.db2.gz INWYFMZENNJFET-BGWNEDDSSA-N 0 0 467.658 4.909 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001360376621 1065235714 /nfs/dbraw/zinc/23/57/14/1065235714.db2.gz JTFZJJOGEXASHB-IBGZPJMESA-N 0 0 494.478 4.504 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCOCC1 ZINC001360376605 1065235738 /nfs/dbraw/zinc/23/57/38/1065235738.db2.gz JFKCPMOQOJRWRS-UHFFFAOYSA-N 0 0 465.436 4.776 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360376720 1065236114 /nfs/dbraw/zinc/23/61/14/1065236114.db2.gz MRYNBMDSEFEVDV-UHFFFAOYSA-N 0 0 466.504 4.790 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC001436185128 1065236372 /nfs/dbraw/zinc/23/63/72/1065236372.db2.gz CSJXUUQXZLXPGA-CQSZACIVSA-N 0 0 456.283 4.743 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360376992 1065237520 /nfs/dbraw/zinc/23/75/20/1065237520.db2.gz UONFEDFNYHEVGA-ABSDTBQOSA-N 0 0 488.526 4.918 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1 ZINC001360377074 1065237618 /nfs/dbraw/zinc/23/76/18/1065237618.db2.gz WLFHSZNDRSEPSR-UHFFFAOYSA-N 0 0 460.420 4.888 20 0 JJADRN CC(C)OCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360377150 1065238153 /nfs/dbraw/zinc/23/81/53/1065238153.db2.gz YVJBUPQCKIIHTK-RBUKOAKNSA-N 0 0 462.038 4.549 20 0 JJADRN CC(C)c1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC001436187783 1065238060 /nfs/dbraw/zinc/23/80/60/1065238060.db2.gz WVOZYRZJUPHQQQ-UNMCSNQZSA-N 0 0 452.599 4.859 20 0 JJADRN O=C(NCCn1cc(Br)cn1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001436187481 1065238092 /nfs/dbraw/zinc/23/80/92/1065238092.db2.gz AMQVPYGHHWVTQA-UHFFFAOYSA-N 0 0 456.237 4.901 20 0 JJADRN CC(C)OCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360377148 1065238214 /nfs/dbraw/zinc/23/82/14/1065238214.db2.gz YVJBUPQCKIIHTK-MOPGFXCFSA-N 0 0 462.038 4.549 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2ccccn2)CC1 ZINC001360377171 1065238260 /nfs/dbraw/zinc/23/82/60/1065238260.db2.gz ZIHRKSZIJQBRMC-UHFFFAOYSA-N 0 0 499.457 4.634 20 0 JJADRN NC(=O)c1ccn(-c2ccccc2NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC001360378359 1065238749 /nfs/dbraw/zinc/23/87/49/1065238749.db2.gz NSVGBRHURNYZLX-UHFFFAOYSA-N 0 0 458.330 4.654 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001360377928 1065238812 /nfs/dbraw/zinc/23/88/12/1065238812.db2.gz BDPLSGKDAAIWIL-IBGZPJMESA-N 0 0 456.589 4.632 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC001436188909 1065239146 /nfs/dbraw/zinc/23/91/46/1065239146.db2.gz ANBHMPKCKCMLOR-HXUWFJFHSA-N 0 0 458.624 4.572 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)C1 ZINC001436188895 1065239170 /nfs/dbraw/zinc/23/91/70/1065239170.db2.gz IWDLYQMHWMLVOQ-KBPBESRZSA-N 0 0 459.331 4.591 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)C1 ZINC001436188898 1065239194 /nfs/dbraw/zinc/23/91/94/1065239194.db2.gz IWDLYQMHWMLVOQ-KGLIPLIRSA-N 0 0 459.331 4.591 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001360379028 1065239197 /nfs/dbraw/zinc/23/91/97/1065239197.db2.gz JADFNSPQQAGVLP-QFIPXVFZSA-N 0 0 455.990 4.777 20 0 JJADRN CCOc1ccccc1OCCCC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC001436189863 1065239604 /nfs/dbraw/zinc/23/96/04/1065239604.db2.gz BYPAGHMOAFGJQE-UHFFFAOYSA-N 0 0 450.329 4.741 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)c(C)cc1Br ZINC001436189721 1065239621 /nfs/dbraw/zinc/23/96/21/1065239621.db2.gz BQGQZKZFCRMGAX-UHFFFAOYSA-N 0 0 459.262 4.881 20 0 JJADRN Cn1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c(-c2cccs2)n1 ZINC001436189866 1065239665 /nfs/dbraw/zinc/23/96/65/1065239665.db2.gz CPYAZBOWTXNHKQ-UHFFFAOYSA-N 0 0 454.905 4.783 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001436190098 1065240254 /nfs/dbraw/zinc/24/02/54/1065240254.db2.gz IQFWVIHYBNSTNK-OAHLLOKOSA-N 0 0 457.573 4.656 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001436190249 1065240287 /nfs/dbraw/zinc/24/02/87/1065240287.db2.gz CTMKHFPPSJOPGX-SGGJORCASA-N 0 0 450.579 4.742 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)c2)no1 ZINC001436191301 1065240929 /nfs/dbraw/zinc/24/09/29/1065240929.db2.gz IEGNLEMKGQQENF-UHFFFAOYSA-N 0 0 456.493 4.692 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c1Br ZINC001436191757 1065241395 /nfs/dbraw/zinc/24/13/95/1065241395.db2.gz XCSRSDCTCBHYAB-UHFFFAOYSA-N 0 0 454.246 4.578 20 0 JJADRN CC(C)OCCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001360380337 1065241542 /nfs/dbraw/zinc/24/15/42/1065241542.db2.gz SXVLLSWWFUXRES-MRXNPFEDSA-N 0 0 478.519 4.578 20 0 JJADRN CC(C)OCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001360380176 1065241662 /nfs/dbraw/zinc/24/16/62/1065241662.db2.gz PEWRTBKFYFMIHX-ZBYYUNFXSA-N 0 0 475.678 4.833 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc1N1CCCCC1 ZINC001360381385 1065242343 /nfs/dbraw/zinc/24/23/43/1065242343.db2.gz FVVMFXAIOYFIJI-UHFFFAOYSA-N 0 0 458.349 4.521 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)cs2)cc1 ZINC001436193785 1065242370 /nfs/dbraw/zinc/24/23/70/1065242370.db2.gz NEQHXLMNMMALIY-UHFFFAOYSA-N 0 0 459.518 4.966 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1=O ZINC001436193757 1065242399 /nfs/dbraw/zinc/24/23/99/1065242399.db2.gz MMSFWDHXDWCACX-ZCNNSNEGSA-N 0 0 459.359 4.620 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)cc1N1CCCCC1 ZINC001360381611 1065242519 /nfs/dbraw/zinc/24/25/19/1065242519.db2.gz NRYOHJXYYARMTQ-UHFFFAOYSA-N 0 0 450.926 4.869 20 0 JJADRN CC(C)OCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001360382184 1065242921 /nfs/dbraw/zinc/24/29/21/1065242921.db2.gz IJSHIKDAQUQDJG-NRFANRHFSA-N 0 0 450.574 4.928 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360382219 1065242964 /nfs/dbraw/zinc/24/29/64/1065242964.db2.gz JKLZGEUBDVIMKZ-DEOSSOPVSA-N 0 0 463.022 4.723 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001360382018 1065243177 /nfs/dbraw/zinc/24/31/77/1065243177.db2.gz CRKNMLZNABEIRN-JOCHJYFZSA-N 0 0 471.049 4.975 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360382108 1065243191 /nfs/dbraw/zinc/24/31/91/1065243191.db2.gz GNJSWQJLYWNIQS-DENIHFKCSA-N 0 0 463.022 4.721 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360382254 1065243203 /nfs/dbraw/zinc/24/32/03/1065243203.db2.gz KWKDHWIYDBSLPX-GOSISDBHSA-N 0 0 451.011 4.719 20 0 JJADRN COc1ccc(C(=O)N(CC(C)C)c2ccccc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001436196133 1065243663 /nfs/dbraw/zinc/24/36/63/1065243663.db2.gz ZCZHEGJMLZXOKC-SIKLNZKXSA-N 0 0 458.624 4.855 20 0 JJADRN CC(C)OCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360382379 1065243505 /nfs/dbraw/zinc/24/35/05/1065243505.db2.gz NULZWXYSVLILMN-GJZUVCINSA-N 0 0 472.630 4.637 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360382288 1065243767 /nfs/dbraw/zinc/24/37/67/1065243767.db2.gz MADUEBOMSCVBMQ-JOCHJYFZSA-N 0 0 476.593 4.992 20 0 JJADRN CC(C)OCCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360382261 1065243778 /nfs/dbraw/zinc/24/37/78/1065243778.db2.gz LCFNMXKHQLBHRR-PZJWPPBQSA-N 0 0 463.667 4.565 20 0 JJADRN Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001436196875 1065244214 /nfs/dbraw/zinc/24/42/14/1065244214.db2.gz SWVODUZYNSTXJC-AWEZNQCLSA-N 0 0 455.299 4.830 20 0 JJADRN CC(C)OCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001360382442 1065244215 /nfs/dbraw/zinc/24/42/15/1065244215.db2.gz PPQCJMDWRVJHRV-OAQYLSRUSA-N 0 0 477.447 4.776 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@@H](C)c3ccccc3)C3CCCC3)CC2)cc1 ZINC001436197234 1065244652 /nfs/dbraw/zinc/24/46/52/1065244652.db2.gz VSPFQSCRWRRQLO-NRFANRHFSA-N 0 0 454.636 4.928 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360382790 1065244804 /nfs/dbraw/zinc/24/48/04/1065244804.db2.gz BQLZMGVJMVJZEB-VAMGGRTRSA-N 0 0 490.611 4.950 20 0 JJADRN CC(C)OCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(c2nccs2)CC1 ZINC001360382682 1065244816 /nfs/dbraw/zinc/24/48/16/1065244816.db2.gz YFCJVZOVNOGCGG-UHFFFAOYSA-N 0 0 490.624 4.526 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 ZINC001360383199 1065245343 /nfs/dbraw/zinc/24/53/43/1065245343.db2.gz MQUKJDDQUVEROD-FQEVSTJZSA-N 0 0 461.607 4.785 20 0 JJADRN CC(C)OCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001360383320 1065245804 /nfs/dbraw/zinc/24/58/04/1065245804.db2.gz 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4.759 20 0 JJADRN C[C@@H](Sc1ccccc1Cl)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001436222726 1065263522 /nfs/dbraw/zinc/26/35/22/1065263522.db2.gz VPAPYPRQIOWJPZ-GFCCVEGCSA-N 0 0 452.761 4.907 20 0 JJADRN Cc1cc(=O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)nn1-c1ccccc1C(F)(F)F ZINC001360399013 1065263779 /nfs/dbraw/zinc/26/37/79/1065263779.db2.gz CMPAGRIELRGNNX-PBHICJAKSA-N 0 0 459.443 4.717 20 0 JJADRN Cc1cc(=O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)nn1-c1ccccc1C(F)(F)F ZINC001360399016 1065263842 /nfs/dbraw/zinc/26/38/42/1065263842.db2.gz CMPAGRIELRGNNX-YOEHRIQHSA-N 0 0 459.443 4.717 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC001436223849 1065264042 /nfs/dbraw/zinc/26/40/42/1065264042.db2.gz NGVXSZGXOINLKA-UYAOXDASSA-N 0 0 452.979 4.576 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001436223847 1065264093 /nfs/dbraw/zinc/26/40/93/1065264093.db2.gz NGVXSZGXOINLKA-ICSRJNTNSA-N 0 0 452.979 4.576 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001436223846 1065264125 /nfs/dbraw/zinc/26/41/25/1065264125.db2.gz NGVXSZGXOINLKA-AZUAARDMSA-N 0 0 452.979 4.576 20 0 JJADRN CC(C)OCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360399156 1065264401 /nfs/dbraw/zinc/26/44/01/1065264401.db2.gz RXJJCOPNZKFWAV-HXUWFJFHSA-N 0 0 494.640 4.612 20 0 JJADRN Cc1ccc(OCC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c(C)c1 ZINC001360400674 1065264881 /nfs/dbraw/zinc/26/48/81/1065264881.db2.gz QINGLLGLHCKVIH-SANMLTNESA-N 0 0 451.588 4.608 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)CC2=O)ccc1Br ZINC001360400436 1065264916 /nfs/dbraw/zinc/26/49/16/1065264916.db2.gz NOYCTELEWWPJIU-RYQLBKOJSA-N 0 0 459.359 4.654 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Cl)cc1 ZINC001436225816 1065265067 /nfs/dbraw/zinc/26/50/67/1065265067.db2.gz BJFHQCZJDVLFOM-QGZVFWFLSA-N 0 0 452.860 4.802 20 0 JJADRN 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451.792 4.837 20 0 JJADRN CC(C)OCCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 ZINC001360406453 1065268722 /nfs/dbraw/zinc/26/87/22/1065268722.db2.gz PBEQQDAHXUUFPC-QGZVFWFLSA-N 0 0 497.344 4.565 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001436231780 1065269239 /nfs/dbraw/zinc/26/92/39/1065269239.db2.gz VJMLPHSMGDKKCY-JOCHJYFZSA-N 0 0 457.347 4.596 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC001436231975 1065269306 /nfs/dbraw/zinc/26/93/06/1065269306.db2.gz KPYGDPNLXFBGRB-OFVILXPXSA-N 0 0 451.592 4.808 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC001436232674 1065269813 /nfs/dbraw/zinc/26/98/13/1065269813.db2.gz PTOCMZJXLWQXGT-PSLXWICFSA-N 0 0 459.468 4.748 20 0 JJADRN CC[C@H](C(=O)OC)N(C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)c1ccccc1 ZINC001360408141 1065270928 /nfs/dbraw/zinc/27/09/28/1065270928.db2.gz IEJXOCDVMSXTGU-HXUWFJFHSA-N 0 0 455.917 4.752 20 0 JJADRN CC(C)OCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(Br)c1 ZINC001360407597 1065271071 /nfs/dbraw/zinc/27/10/71/1065271071.db2.gz WXHWPMHXYFPUBC-INIZCTEOSA-N 0 0 467.318 4.653 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)c1 ZINC001360408936 1065272053 /nfs/dbraw/zinc/27/20/53/1065272053.db2.gz UMJCIUPSEBIJCE-RUZDIDTESA-N 0 0 451.588 4.819 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccccc2OC)[nH]c1=O ZINC001436247674 1065274631 /nfs/dbraw/zinc/27/46/31/1065274631.db2.gz UPEMGHFWFSYTNS-UHFFFAOYSA-N 0 0 459.458 4.547 20 0 JJADRN CC(C)[C@H](C(=O)O[C@@H](C)c1ccc(F)c(I)c1)C(=O)OC(C)(C)C ZINC001436250657 1065275079 /nfs/dbraw/zinc/27/50/79/1065275079.db2.gz RWCSLXXXWGESHA-XHDPSFHLSA-N 0 0 450.288 4.648 20 0 JJADRN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)c(CC)c(Br)c1 ZINC001436252470 1065275217 /nfs/dbraw/zinc/27/52/17/1065275217.db2.gz XXLUOQJQUYAOLH-CJNGLKHVSA-N 0 0 461.194 4.626 20 0 JJADRN O=C(CCCc1nc(-c2cccs2)no1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001360412049 1065275296 /nfs/dbraw/zinc/27/52/96/1065275296.db2.gz SZHLLAQLYDTNTM-HNNXBMFYSA-N 0 0 450.486 4.535 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c1 ZINC001436254280 1065275626 /nfs/dbraw/zinc/27/56/26/1065275626.db2.gz DDXLPHFWIYUWSQ-FCHUYYIVSA-N 0 0 453.585 4.536 20 0 JJADRN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001436253231 1065275679 /nfs/dbraw/zinc/27/56/79/1065275679.db2.gz UGKIXJRKXYAKDV-OCCSQVGLSA-N 0 0 473.161 4.810 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001360413598 1065276568 /nfs/dbraw/zinc/27/65/68/1065276568.db2.gz BTGLGDFPVAKBOB-QFIPXVFZSA-N 0 0 457.617 4.719 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001360413459 1065276588 /nfs/dbraw/zinc/27/65/88/1065276588.db2.gz ZFBSTWXXTVFNTQ-UHFFFAOYSA-N 0 0 479.591 4.625 20 0 JJADRN O=C(NC1(Cc2ccccc2)CCOCC1)c1ccc(Br)cc1Br ZINC001436255772 1065276770 /nfs/dbraw/zinc/27/67/70/1065276770.db2.gz SICDCCXJTVYZON-UHFFFAOYSA-N 0 0 453.174 4.733 20 0 JJADRN CC(C)SCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360414143 1065277075 /nfs/dbraw/zinc/27/70/75/1065277075.db2.gz BIKZLEYCSGTFMM-GOSISDBHSA-N 0 0 493.649 4.756 20 0 JJADRN CC(C)SCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360415349 1065278093 /nfs/dbraw/zinc/27/80/93/1065278093.db2.gz RZXAYCYSUOHWKD-ICSRJNTNSA-N 0 0 494.105 4.954 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001360416369 1065278550 /nfs/dbraw/zinc/27/85/50/1065278550.db2.gz XXULUNMLBPWHSM-FDDCHVKYSA-N 0 0 454.979 4.526 20 0 JJADRN CC(C)SCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360416593 1065279030 /nfs/dbraw/zinc/27/90/30/1065279030.db2.gz DZQRNYAMBSVFPI-UHFFFAOYSA-N 0 0 469.655 4.916 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360416584 1065279044 /nfs/dbraw/zinc/27/90/44/1065279044.db2.gz DVYZVTWBIWBCFV-KRWDZBQOSA-N 0 0 468.465 4.573 20 0 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ZINC001436270764 1065282414 /nfs/dbraw/zinc/28/24/14/1065282414.db2.gz ILVLAFGOCSGYPV-UHFFFAOYSA-N 0 0 454.066 4.546 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)sc21 ZINC001360418057 1065282875 /nfs/dbraw/zinc/28/28/75/1065282875.db2.gz UZVDUESIGIOGSE-UHFFFAOYSA-N 0 0 458.952 4.744 20 0 JJADRN CC(C)SCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001360418457 1065283274 /nfs/dbraw/zinc/28/32/74/1065283274.db2.gz WJLCYWURPVPAKJ-FQEVSTJZSA-N 0 0 488.455 4.822 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001436272904 1065283541 /nfs/dbraw/zinc/28/35/41/1065283541.db2.gz YYJKMFLVTHXOFI-KRXBUXKQSA-N 0 0 458.699 4.634 20 0 JJADRN COc1cc(/C=C\C(=O)NCC[C@@]2(C)CC2(Cl)Cl)ccc1OCc1c(C)noc1C ZINC001436273684 1065284173 /nfs/dbraw/zinc/28/41/73/1065284173.db2.gz ORQUBBAJKSOVIJ-LHFJYWTJSA-N 0 0 453.366 4.982 20 0 JJADRN COc1ccc(-n2c(NC(=O)C(F)(F)c3ccccc3NC(C)=O)nc3ccccc32)cc1 ZINC001360419608 1065284451 /nfs/dbraw/zinc/28/44/51/1065284451.db2.gz 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CC(C)SCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001360420656 1065285365 /nfs/dbraw/zinc/28/53/65/1065285365.db2.gz VMIWRASDRAFBEX-AZUAARDMSA-N 0 0 450.674 4.908 20 0 JJADRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(Cl)c1SCC(F)F)C2=O ZINC001360420917 1065286102 /nfs/dbraw/zinc/28/61/02/1065286102.db2.gz OPCJRUAAANFMHF-HXUWFJFHSA-N 0 0 459.946 4.527 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC001436281225 1065286178 /nfs/dbraw/zinc/28/61/78/1065286178.db2.gz ZTFCUGZMXCEWQC-SJORKVTESA-N 0 0 450.970 4.745 20 0 JJADRN CC(C)SCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360421035 1065286719 /nfs/dbraw/zinc/28/67/19/1065286719.db2.gz ZNHRFBKWURTICX-UXHICEINSA-N 0 0 460.619 4.552 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC001360420953 1065286818 /nfs/dbraw/zinc/28/68/18/1065286818.db2.gz PJDMJGOQJOZYDM-JKSUJKDBSA-N 0 0 450.457 4.877 20 0 JJADRN CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360421518 1065287087 /nfs/dbraw/zinc/28/70/87/1065287087.db2.gz DUELCQUOQGDGNM-UHFFFAOYSA-N 0 0 467.483 4.727 20 0 JJADRN CC(C)SCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360421632 1065287190 /nfs/dbraw/zinc/28/71/90/1065287190.db2.gz ITTWOFSYOCDTTH-NRFANRHFSA-N 0 0 492.558 4.818 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001436285047 1065287465 /nfs/dbraw/zinc/28/74/65/1065287465.db2.gz JBVBVOJRNOVQJD-ZDUSSCGKSA-N 0 0 459.356 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)c1cc(Br)cnc1C1CC1 ZINC001436285685 1065287473 /nfs/dbraw/zinc/28/74/73/1065287473.db2.gz PWHKIQUSEHIRIQ-MRXNPFEDSA-N 0 0 452.393 4.631 20 0 JJADRN CCCOc1c(OC)cc(CCNC(=O)c2c(F)ccc(Br)c2C)cc1OC ZINC001436286131 1065287526 /nfs/dbraw/zinc/28/75/26/1065287526.db2.gz UUAHBIGHFBWEFW-UHFFFAOYSA-N 0 0 454.336 4.675 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c1 ZINC001436290959 1065288583 /nfs/dbraw/zinc/28/85/83/1065288583.db2.gz PMOYEZVKLUBIGW-SFHVURJKSA-N 0 0 453.489 4.528 20 0 JJADRN CCCCOc1ccc(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1OC ZINC001436290295 1065288625 /nfs/dbraw/zinc/28/86/25/1065288625.db2.gz NVZYCDHOIUMRJQ-SFHVURJKSA-N 0 0 455.505 4.761 20 0 JJADRN CC(C)SCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360422472 1065289172 /nfs/dbraw/zinc/28/91/72/1065289172.db2.gz CVKBJLWJGCTZAH-LJQANCHMSA-N 0 0 498.697 4.937 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc3sc(Br)cc3s2)[C@@H]1n1cccn1 ZINC001436294199 1065289649 /nfs/dbraw/zinc/28/96/49/1065289649.db2.gz ZNNOQTYNASURNZ-UVWXRNBGSA-N 0 0 454.415 4.849 20 0 JJADRN Cc1ccc(OC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1Br ZINC001436294882 1065289740 /nfs/dbraw/zinc/28/97/40/1065289740.db2.gz RVYALDCVJUTIPN-KRWDZBQOSA-N 0 0 452.267 4.852 20 0 JJADRN CSc1ncc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)n1-c1ccccc1 ZINC001360423052 1065290023 /nfs/dbraw/zinc/29/00/23/1065290023.db2.gz NCEMTQRBSNFLON-UHFFFAOYSA-N 0 0 451.552 4.646 20 0 JJADRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001360422899 1065290183 /nfs/dbraw/zinc/29/01/83/1065290183.db2.gz LJLQPUITUDXDQP-MSOLQXFVSA-N 0 0 481.272 4.765 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c(OC)c1 ZINC001436295658 1065290294 /nfs/dbraw/zinc/29/02/94/1065290294.db2.gz UKZLCRYFEZHPPJ-GOSISDBHSA-N 0 0 451.567 4.593 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001436300927 1065291401 /nfs/dbraw/zinc/29/14/01/1065291401.db2.gz GHRLRWADBYHEQD-OAQYLSRUSA-N 0 0 450.583 4.746 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N(c1ccc(Br)cc1)C1CC1 ZINC001436300175 1065291612 /nfs/dbraw/zinc/29/16/12/1065291612.db2.gz CSAYQWINZWZJMK-UHFFFAOYSA-N 0 0 453.130 4.792 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1Br ZINC001436302707 1065292177 /nfs/dbraw/zinc/29/21/77/1065292177.db2.gz TXVSLKACYGAWOC-UHFFFAOYSA-N 0 0 450.695 4.657 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC001360424175 1065292675 /nfs/dbraw/zinc/29/26/75/1065292675.db2.gz OTQMVRSDXBISOX-IKVZYYAVSA-N 0 0 454.636 4.760 20 0 JJADRN COc1c(F)cc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c(OC)c1F ZINC001436304495 1065292638 /nfs/dbraw/zinc/29/26/38/1065292638.db2.gz QPNCENOXPREPQR-UHFFFAOYSA-N 0 0 452.461 4.644 20 0 JJADRN CC(C)Cn1c(SCC(=O)N[C@@H]2CCOC2(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001436305573 1065292657 /nfs/dbraw/zinc/29/26/57/1065292657.db2.gz XESBKRIMEPXAJK-MRXNPFEDSA-N 0 0 457.427 4.684 20 0 JJADRN COc1c(F)cc(NC(=O)c2scc(Br)c2Br)c(OC)c1F ZINC001436306412 1065292747 /nfs/dbraw/zinc/29/27/47/1065292747.db2.gz COFDQLLXXIXPOH-UHFFFAOYSA-N 0 0 457.090 4.821 20 0 JJADRN COc1c(F)cc(NC(=O)c2cc(Br)ccc2Br)c(OC)c1F ZINC001436303771 1065292772 /nfs/dbraw/zinc/29/27/72/1065292772.db2.gz JOHJBVCUUYFICP-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360424690 1065293188 /nfs/dbraw/zinc/29/31/88/1065293188.db2.gz FSYGTFSXZRSRJE-SQNIBIBYSA-N 0 0 469.721 4.822 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](OC)[C@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001436307753 1065293348 /nfs/dbraw/zinc/29/33/48/1065293348.db2.gz UDFWPUGSRRNXCW-CZUORRHYSA-N 0 0 454.386 4.595 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](OC)[C@@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001436307751 1065293360 /nfs/dbraw/zinc/29/33/60/1065293360.db2.gz UDFWPUGSRRNXCW-BBRMVZONSA-N 0 0 454.386 4.595 20 0 JJADRN CC(C)SCCn1c(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360424899 1065293668 /nfs/dbraw/zinc/29/36/68/1065293668.db2.gz NWYRGRQHWMBVBM-SFHVURJKSA-N 0 0 453.697 4.801 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](OC)C(C)(C)C2)c1 ZINC001436311871 1065294499 /nfs/dbraw/zinc/29/44/99/1065294499.db2.gz XPHGJMAKYQYFEY-QHCPKHFHSA-N 0 0 458.624 4.569 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360425341 1065294947 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ZINC001360438826 1065321009 /nfs/dbraw/zinc/32/10/09/1065321009.db2.gz ZOOWJTFTUQIGMU-PXNSSMCTSA-N 0 0 471.602 4.565 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccsc1 ZINC001360439275 1065321227 /nfs/dbraw/zinc/32/12/27/1065321227.db2.gz HJJYGEAYCVKBOJ-OBPNJKGGSA-N 0 0 472.680 4.840 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001436448171 1065321410 /nfs/dbraw/zinc/32/14/10/1065321410.db2.gz ZVIDZBOUBLKOKB-WRWLIDTKSA-N 0 0 454.514 4.624 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001545898340 1065321521 /nfs/dbraw/zinc/32/15/21/1065321521.db2.gz RSTWEXIBSBLTSX-NDUMYTTKSA-N 0 0 459.679 4.837 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC001360439971 1065322255 /nfs/dbraw/zinc/32/22/55/1065322255.db2.gz XSKLGELJLUGXRB-RUZDIDTESA-N 0 0 455.576 4.816 20 0 JJADRN COCc1c(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cnn1-c1ccccc1 ZINC001436449954 1065322300 /nfs/dbraw/zinc/32/23/00/1065322300.db2.gz QGNNUYVZYOBSJZ-OPAMFIHVSA-N 0 0 459.468 4.640 20 0 JJADRN COCc1c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cnn1-c1ccccc1 ZINC001436449956 1065322338 /nfs/dbraw/zinc/32/23/38/1065322338.db2.gz QGNNUYVZYOBSJZ-ZHRRBRCNSA-N 0 0 459.468 4.640 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CCOc1ncccc1Cl ZINC001360439821 1065322427 /nfs/dbraw/zinc/32/24/27/1065322427.db2.gz MKRWYEDTMKQNKH-HEJPQYQCSA-N 0 0 474.030 4.608 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 ZINC001360440072 1065322899 /nfs/dbraw/zinc/32/28/99/1065322899.db2.gz OBGUFWKCXDHNDR-UAIZEJDJSA-N 0 0 482.679 4.653 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 ZINC001360440183 1065323005 /nfs/dbraw/zinc/32/30/05/1065323005.db2.gz OHKKVMHEUIWZIT-PBNKOMEISA-N 0 0 455.971 4.570 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360440197 1065323078 /nfs/dbraw/zinc/32/30/78/1065323078.db2.gz OLKRIQINIUOFLW-ORCIVFGKSA-N 0 0 463.529 4.552 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CCC[C@H]1CCCCO1 ZINC001360440371 1065323436 /nfs/dbraw/zinc/32/34/36/1065323436.db2.gz QYWJBOVUPRXOPA-DJAOPXNMSA-N 0 0 467.639 4.624 20 0 JJADRN COc1ccc2c(c1)OCC(C(=O)NCC(C)(C)c1ccc(Br)cc1Cl)=C2 ZINC001436459139 1065323697 /nfs/dbraw/zinc/32/36/97/1065323697.db2.gz CYWGXLGXWDWOJT-UHFFFAOYSA-N 0 0 450.760 4.981 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001436461210 1065323717 /nfs/dbraw/zinc/32/37/17/1065323717.db2.gz GFYWPAPPTLMOIW-UHFFFAOYSA-N 0 0 450.760 4.704 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1cc(Cl)c2c(c1)OCCO2 ZINC001436461201 1065323743 /nfs/dbraw/zinc/32/37/43/1065323743.db2.gz GBUWNBSICNXLHK-UHFFFAOYSA-N 0 0 457.151 4.989 20 0 JJADRN C[C@@H](OC(=O)c1nn(-c2ccccc2)cc1Br)c1ccc(-n2cccn2)c(F)c1 ZINC001436463024 1065324369 /nfs/dbraw/zinc/32/43/69/1065324369.db2.gz CNJHGHIQICZTBK-CQSZACIVSA-N 0 0 455.287 4.878 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1C1CC(C(C)(C)C)C1 ZINC001360440859 1065325012 /nfs/dbraw/zinc/32/50/12/1065325012.db2.gz YPCLGCMBMXDNMW-OSFYOIPJSA-N 0 0 481.666 4.862 20 0 JJADRN Cc1ccc(I)cc1C(=O)O[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001436464813 1065325118 /nfs/dbraw/zinc/32/51/18/1065325118.db2.gz GKZRKNWFEXXZNF-ZDUSSCGKSA-N 0 0 450.251 4.842 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1cccc2nccn21)Nc1cccc(C(F)(F)F)c1 ZINC001360441002 1065325444 /nfs/dbraw/zinc/32/54/44/1065325444.db2.gz AJUFBCXRFXDVDJ-UHFFFAOYSA-N 0 0 454.408 4.623 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001436466578 1065325664 /nfs/dbraw/zinc/32/56/64/1065325664.db2.gz PTCIJQFLCJLPCZ-QGZVFWFLSA-N 0 0 457.840 4.924 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001436469114 1065326547 /nfs/dbraw/zinc/32/65/47/1065326547.db2.gz SCXZHWJRSXQFHY-FQEVSTJZSA-N 0 0 458.436 4.971 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436469814 1065327003 /nfs/dbraw/zinc/32/70/03/1065327003.db2.gz SVIMYLYEBJADCU-PKTZIBPZSA-N 0 0 451.519 4.585 20 0 JJADRN Cn1ncc2ccc(CNC(=O)c3ccccc3OCc3ccccc3Br)cc21 ZINC001436469471 1065327088 /nfs/dbraw/zinc/32/70/88/1065327088.db2.gz GFIQRDTYIICSAL-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001436472105 1065327698 /nfs/dbraw/zinc/32/76/98/1065327698.db2.gz JKWKKCOEGNFJNX-MGPUTAFESA-N 0 0 455.530 4.879 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436472157 1065327770 /nfs/dbraw/zinc/32/77/70/1065327770.db2.gz JNSDEIMWSQBWEC-KOSHJBKYSA-N 0 0 459.521 4.560 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC001436472100 1065327937 /nfs/dbraw/zinc/32/79/37/1065327937.db2.gz JKWKKCOEGNFJNX-FOIQADDNSA-N 0 0 455.530 4.879 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(Br)c(C)c3)C1)C(C)(C)C2 ZINC001436474141 1065328468 /nfs/dbraw/zinc/32/84/68/1065328468.db2.gz NSLDKXHZKXOBRN-IBGZPJMESA-N 0 0 455.396 4.782 20 0 JJADRN Cc1cccc(CN(C)C(=O)c2cc(I)ccc2Br)c1C ZINC001436476073 1065328566 /nfs/dbraw/zinc/32/85/66/1065328566.db2.gz IPIBFJIJWSAKAI-UHFFFAOYSA-N 0 0 458.137 4.943 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001436476906 1065329147 /nfs/dbraw/zinc/32/91/47/1065329147.db2.gz IBAPILLIGGUJLM-UHFFFAOYSA-N 0 0 457.958 4.942 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)s1 ZINC001360443391 1065329327 /nfs/dbraw/zinc/32/93/27/1065329327.db2.gz YSPFSSVSNADNCC-GZHHPGBUSA-N 0 0 479.071 4.870 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360443799 1065329920 /nfs/dbraw/zinc/32/99/20/1065329920.db2.gz HAXURDCGPZDAJX-MRXNPFEDSA-N 0 0 486.498 4.679 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360444115 1065330467 /nfs/dbraw/zinc/33/04/67/1065330467.db2.gz NBKHFTAEYNBIBK-RXVVDRJESA-N 0 0 478.597 4.643 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360443966 1065330513 /nfs/dbraw/zinc/33/05/13/1065330513.db2.gz KNKBGCMCEBERMS-LJQANCHMSA-N 0 0 471.609 4.963 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360444113 1065330664 /nfs/dbraw/zinc/33/06/64/1065330664.db2.gz NBKHFTAEYNBIBK-GHTZIAJQSA-N 0 0 478.597 4.643 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F ZINC001360444381 1065331217 /nfs/dbraw/zinc/33/12/17/1065331217.db2.gz SNTYKJJASAGCCK-KRWDZBQOSA-N 0 0 496.578 4.614 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360444309 1065331278 /nfs/dbraw/zinc/33/12/78/1065331278.db2.gz RINNCYSAPNSYGV-INIZCTEOSA-N 0 0 486.498 4.571 20 0 JJADRN Cc1cc2cc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)ccc2n(C)c1=O ZINC001436486743 1065331841 /nfs/dbraw/zinc/33/18/41/1065331841.db2.gz CNHMRVXWDZHTEE-AGHHOFFYSA-N 0 0 453.583 4.601 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360444620 1065332095 /nfs/dbraw/zinc/33/20/95/1065332095.db2.gz WBQTUGMZKQRWSO-MRXNPFEDSA-N 0 0 499.015 4.763 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001436488600 1065332504 /nfs/dbraw/zinc/33/25/04/1065332504.db2.gz AGMXSPCQHWAASQ-JOCHJYFZSA-N 0 0 450.966 4.862 20 0 JJADRN Cn1cc(C(=O)NCC(C)(C)C(C)(C)C)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC001436488323 1065332555 /nfs/dbraw/zinc/33/25/55/1065332555.db2.gz QMHBCOAUBKEKEX-HXUWFJFHSA-N 0 0 454.615 4.738 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360444839 1065332611 /nfs/dbraw/zinc/33/26/11/1065332611.db2.gz YIVZYSWCUQSVQK-INIZCTEOSA-N 0 0 486.498 4.755 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCSC1 ZINC001360444853 1065332640 /nfs/dbraw/zinc/33/26/40/1065332640.db2.gz YSOHRDHWTWYEIC-CABCVRRESA-N 0 0 476.444 4.702 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360444840 1065332685 /nfs/dbraw/zinc/33/26/85/1065332685.db2.gz YIVZYSWCUQSVQK-MRXNPFEDSA-N 0 0 486.498 4.755 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC001436488983 1065333022 /nfs/dbraw/zinc/33/30/22/1065333022.db2.gz UKCPEIOAPLTFCG-UHFFFAOYSA-N 0 0 450.882 4.674 20 0 JJADRN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436488791 1065333116 /nfs/dbraw/zinc/33/31/16/1065333116.db2.gz SZSMCOALSWWRME-LJQANCHMSA-N 0 0 454.299 4.642 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C2CCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360445379 1065333249 /nfs/dbraw/zinc/33/32/49/1065333249.db2.gz AZNGLAKKHFIYHC-GFCCVEGCSA-N 0 0 468.911 4.903 20 0 JJADRN Cc1c(Br)cc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c(=O)n1C ZINC001436490406 1065333736 /nfs/dbraw/zinc/33/37/36/1065333736.db2.gz IEZKWDWRMMCEPR-UHFFFAOYSA-N 0 0 450.695 4.563 20 0 JJADRN O=C(NCC1(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CCCC1)OCc1ccccc1 ZINC001436491832 1065334429 /nfs/dbraw/zinc/33/44/29/1065334429.db2.gz ABRPOCSOHYMXHD-QFIPXVFZSA-N 0 0 456.970 4.807 20 0 JJADRN O=C(NCC1(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CCCC1)OCc1ccccc1 ZINC001436491828 1065334452 /nfs/dbraw/zinc/33/44/52/1065334452.db2.gz ABRPOCSOHYMXHD-JOCHJYFZSA-N 0 0 456.970 4.807 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccsc2)n1CCC(=O)NC1CCCCC1 ZINC001360446040 1065334905 /nfs/dbraw/zinc/33/49/05/1065334905.db2.gz NNPRFUGYTINYMA-SFHVURJKSA-N 0 0 467.639 4.672 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)Cc1cccc(C)c1C)C2 ZINC001436494306 1065335077 /nfs/dbraw/zinc/33/50/77/1065335077.db2.gz ZYGLUOJZNAATTK-OAQYLSRUSA-N 0 0 454.567 4.645 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360446318 1065335330 /nfs/dbraw/zinc/33/53/30/1065335330.db2.gz SWUXGUIXDMXHAL-USLRHYFNSA-N 0 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473.524 4.510 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC001436505435 1065336757 /nfs/dbraw/zinc/33/67/57/1065336757.db2.gz FMEIGNRFZDQXKP-QFIPXVFZSA-N 0 0 458.949 4.848 20 0 JJADRN COc1cc(C(=O)Oc2c(C)nn(C)c2C)ccc1OCc1ccc(Br)s1 ZINC001360447075 1065336967 /nfs/dbraw/zinc/33/69/67/1065336967.db2.gz LAEZORCKPNMZDT-UHFFFAOYSA-N 0 0 451.342 4.668 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCO2)n1CCC(C)(C)C1CC1 ZINC001360447709 1065337567 /nfs/dbraw/zinc/33/75/67/1065337567.db2.gz CWIHDLXQAQSMRB-SIKLNZKXSA-N 0 0 453.631 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCC2CCOCC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436507689 1065337544 /nfs/dbraw/zinc/33/75/44/1065337544.db2.gz SXAUSBZKUQBAKN-RTWAWAEBSA-N 0 0 451.007 4.614 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2ccc(Br)s2)n1CC1([S@](C)=O)CC1 ZINC001360448381 1065338592 /nfs/dbraw/zinc/33/85/92/1065338592.db2.gz POFDZBUOUITKAM-POXGOYDTSA-N 0 0 479.469 4.878 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1CC1(O)CCCCCC1 ZINC001360448349 1065338742 /nfs/dbraw/zinc/33/87/42/1065338742.db2.gz OUYFLOPHCYJSIZ-NRFANRHFSA-N 0 0 495.693 4.672 20 0 JJADRN C[C@H](NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001436512984 1065338717 /nfs/dbraw/zinc/33/87/17/1065338717.db2.gz UPTBRKAFZTUGFD-NQKDMWHGSA-N 0 0 457.368 4.951 20 0 JJADRN CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1)C(C)(C)C ZINC001436512179 1065338729 /nfs/dbraw/zinc/33/87/29/1065338729.db2.gz OGXVMSAZHGQBLH-UHFFFAOYSA-N 0 0 453.402 4.535 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC001436512937 1065338927 /nfs/dbraw/zinc/33/89/27/1065338927.db2.gz RFXBEPXKAXHUOE-CEQIKUNHSA-N 0 0 456.380 4.865 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1 ZINC001360448319 1065338827 /nfs/dbraw/zinc/33/88/27/1065338827.db2.gz OBGLCVCRZGDCMR-SIKLNZKXSA-N 0 0 483.707 4.872 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC001436514402 1065339439 /nfs/dbraw/zinc/33/94/39/1065339439.db2.gz QDSXJROXPACFCV-MRXNPFEDSA-N 0 0 450.988 4.944 20 0 JJADRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001436518639 1065340110 /nfs/dbraw/zinc/34/01/10/1065340110.db2.gz WXVXQCUZBVHKMU-FXAWDEMLSA-N 0 0 459.384 4.688 20 0 JJADRN COc1ccc2c(c1)C=C(C(=O)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)CO2 ZINC001436519664 1065340793 /nfs/dbraw/zinc/34/07/93/1065340793.db2.gz DECBOSMXERRKAL-HSZRJFAPSA-N 0 0 454.998 4.884 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)s1 ZINC001436521677 1065341503 /nfs/dbraw/zinc/34/15/03/1065341503.db2.gz UHASKYZWRNFENG-CVDCTZTESA-N 0 0 453.535 4.726 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3cccc(Br)c3)no2)c1 ZINC001436522247 1065341543 /nfs/dbraw/zinc/34/15/43/1065341543.db2.gz AHHDGSSWWPXRBL-UHFFFAOYSA-N 0 0 457.324 4.533 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3)c2s1 ZINC001436522066 1065341555 /nfs/dbraw/zinc/34/15/55/1065341555.db2.gz DDAFVGYHDRMYQE-UHFFFAOYSA-N 0 0 456.321 4.888 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360450476 1065341770 /nfs/dbraw/zinc/34/17/70/1065341770.db2.gz NBVHPDOBNLGMNM-HOCLYGCPSA-N 0 0 451.518 4.893 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001360450494 1065341793 /nfs/dbraw/zinc/34/17/93/1065341793.db2.gz NIXVHIHFYFTKGP-CZTZKLFOSA-N 0 0 465.646 4.789 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360450437 1065341854 /nfs/dbraw/zinc/34/18/54/1065341854.db2.gz MHLDDCATBDCGJR-ZHHKINOHSA-N 0 0 488.698 4.607 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360450474 1065341873 /nfs/dbraw/zinc/34/18/73/1065341873.db2.gz NBVHPDOBNLGMNM-GDBMZVCRSA-N 0 0 451.518 4.893 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(CN2CCCC2=O)n1CCC1CC(OC(C)(C)C)C1 ZINC001360450432 1065341906 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0 0 468.403 4.910 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc(Cl)cn1 ZINC001360451803 1065344244 /nfs/dbraw/zinc/34/42/44/1065344244.db2.gz ARTGWRXUYOEARV-CYBMUJFWSA-N 0 0 492.784 4.922 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1 ZINC001360451905 1065344823 /nfs/dbraw/zinc/34/48/23/1065344823.db2.gz CIEKHVAGSNCZMD-DZGCQCFKSA-N 0 0 451.880 4.754 20 0 JJADRN CSc1ncc(C(=O)NCCc2cnc(SC3CCCC3)nc2)n1-c1ccc(F)cc1 ZINC001436529480 1065345972 /nfs/dbraw/zinc/34/59/72/1065345972.db2.gz RXQCEEMYJSTHQJ-UHFFFAOYSA-N 0 0 457.600 4.531 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)C2)c1 ZINC001436529054 1065346005 /nfs/dbraw/zinc/34/60/05/1065346005.db2.gz QAFKHANXKNSSMA-IBGZPJMESA-N 0 0 453.340 4.598 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1)C1CC1 ZINC001436528463 1065346034 /nfs/dbraw/zinc/34/60/34/1065346034.db2.gz KVXFLYGEQHCOFG-UHFFFAOYSA-N 0 0 453.340 4.711 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccccn2)n1Cc1ccnc(OC(F)F)c1 ZINC001360452551 1065345880 /nfs/dbraw/zinc/34/58/80/1065345880.db2.gz NWXDHLXRSWOFHV-HNNXBMFYSA-N 0 0 454.456 4.721 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccco1 ZINC001360452437 1065346088 /nfs/dbraw/zinc/34/60/88/1065346088.db2.gz LROWHYZJDHMUEG-AURNUCDLSA-N 0 0 495.624 4.747 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001436530076 1065346412 /nfs/dbraw/zinc/34/64/12/1065346412.db2.gz YBAOISVMUUXHTM-UHFFFAOYSA-N 0 0 457.372 4.993 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360452577 1065346487 /nfs/dbraw/zinc/34/64/87/1065346487.db2.gz OFXUVJPJSINJDG-OCCSQVGLSA-N 0 0 484.320 4.796 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCCc3cnc(SC4CCCC4)nc3)cc2)c(C)c1Cl ZINC001436529725 1065346627 /nfs/dbraw/zinc/34/66/27/1065346627.db2.gz VZEXAFCTCFLYFW-UHFFFAOYSA-N 0 0 456.015 4.940 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360452714 1065347232 /nfs/dbraw/zinc/34/72/32/1065347232.db2.gz QNZBVUJGEQJFAP-IAGOWNOFSA-N 0 0 497.562 4.669 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ncccc1Cl ZINC001360452797 1065347286 /nfs/dbraw/zinc/34/72/86/1065347286.db2.gz SHNOYSBISDQZTJ-IRXDYDNUSA-N 0 0 459.953 4.636 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1Cl ZINC001360453000 1065347928 /nfs/dbraw/zinc/34/79/28/1065347928.db2.gz CGOQTVSKXRFURJ-HXUWFJFHSA-N 0 0 455.407 4.905 20 0 JJADRN CC(C)Cn1nc(C(=O)Nc2nccc3cc(Br)ccc32)c2ccccc2c1=O ZINC001436535694 1065348643 /nfs/dbraw/zinc/34/86/43/1065348643.db2.gz YEIYPZPLBYSEOL-UHFFFAOYSA-N 0 0 451.324 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC001436535412 1065348683 /nfs/dbraw/zinc/34/86/83/1065348683.db2.gz ACWITXILOTXDRA-LJQANCHMSA-N 0 0 451.489 4.805 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1C(F)(F)F 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XLKWZSVQQULBKQ-ZDUSSCGKSA-N 0 0 450.764 4.822 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC001436541508 1065352722 /nfs/dbraw/zinc/35/27/22/1065352722.db2.gz VIUFLHWCQQJATG-IBGZPJMESA-N 0 0 453.366 4.830 20 0 JJADRN CC/C(C)=C(/C)C(=O)Nc1cc(I)cc(I)c1 ZINC001436555926 1065352819 /nfs/dbraw/zinc/35/28/19/1065352819.db2.gz JCVCKESFPOCFSZ-HJWRWDBZSA-N 0 0 455.077 4.581 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)C(C)(C)C ZINC001360454614 1065352654 /nfs/dbraw/zinc/35/26/54/1065352654.db2.gz OABYXBUPXMJWLJ-AWEZNQCLSA-N 0 0 492.393 4.799 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)nc1 ZINC001360454693 1065352794 /nfs/dbraw/zinc/35/27/94/1065352794.db2.gz POEGEXYVFGKGAR-QGZVFWFLSA-N 0 0 450.587 4.776 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)nc1 ZINC001360454692 1065352845 /nfs/dbraw/zinc/35/28/45/1065352845.db2.gz POEGEXYVFGKGAR-KRWDZBQOSA-N 0 0 450.587 4.776 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)N1CCOCC1 ZINC001360454835 1065353350 /nfs/dbraw/zinc/35/33/50/1065353350.db2.gz STGCYMDHROLIBG-OAHLLOKOSA-N 0 0 494.459 4.670 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)NC(C)(C)C ZINC001360454735 1065353515 /nfs/dbraw/zinc/35/35/15/1065353515.db2.gz QAKABLUWQYQQEH-OAHLLOKOSA-N 0 0 474.403 4.803 20 0 JJADRN Cc1cc(NC(=O)c2ccc3c(c2)nc(C)[nH]c3=O)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001436547576 1065354484 /nfs/dbraw/zinc/35/44/84/1065354484.db2.gz DAYJPINTHMHTJR-OAHLLOKOSA-N 0 0 458.493 4.835 20 0 JJADRN Cc1ccn(-c2ccc(C(=O)Nc3cc(Br)cnc3OCC(F)(F)F)cc2)n1 ZINC001360455757 1065355396 /nfs/dbraw/zinc/35/53/96/1065355396.db2.gz ZDXSDYAYWRIGCK-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)s1 ZINC001436549757 1065356111 /nfs/dbraw/zinc/35/61/11/1065356111.db2.gz NVEDIVNJYXVYCM-AWEZNQCLSA-N 0 0 455.511 4.511 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)s1 ZINC001436549761 1065356141 /nfs/dbraw/zinc/35/61/41/1065356141.db2.gz NVEDIVNJYXVYCM-CQSZACIVSA-N 0 0 455.511 4.511 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)C1CC1 ZINC001360456864 1065356409 /nfs/dbraw/zinc/35/64/09/1065356409.db2.gz WOMHUFJZQLHLNU-ASSNKEHSSA-N 0 0 463.351 4.798 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCNC(=O)OC(C)(C)C ZINC001360456974 1065357158 /nfs/dbraw/zinc/35/71/58/1065357158.db2.gz YEWZMVWXNKTUDY-KRWDZBQOSA-N 0 0 483.569 4.769 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC(F)F ZINC001360458021 1065357183 /nfs/dbraw/zinc/35/71/83/1065357183.db2.gz AYLIGUYNSXKIFO-IRXDYDNUSA-N 0 0 483.560 4.812 20 0 JJADRN O=C(NC[C@@H]1CCc2ccccc21)c1cc(Br)ccc1I ZINC001360457655 1065357195 /nfs/dbraw/zinc/35/71/95/1065357195.db2.gz RJTQKEZCZAXEBF-LBPRGKRZSA-N 0 0 456.121 4.514 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3OCC(F)F)o2)cc1 ZINC001436551609 1065357319 /nfs/dbraw/zinc/35/73/19/1065357319.db2.gz HKEUISDGTBFQMF-UHFFFAOYSA-N 0 0 455.870 4.773 20 0 JJADRN O=C(c1ccc(I)cc1Cl)N1CCCn2c(cc3ccccc32)C1 ZINC001436553492 1065357918 /nfs/dbraw/zinc/35/79/18/1065357918.db2.gz SPWNQXUZKYJSJN-UHFFFAOYSA-N 0 0 450.707 4.945 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1OCCC1(C)C ZINC001360458521 1065358307 /nfs/dbraw/zinc/35/83/07/1065358307.db2.gz KPSNKNSLOIAKEL-GHTZIAJQSA-N 0 0 487.645 4.998 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360458822 1065358981 /nfs/dbraw/zinc/35/89/81/1065358981.db2.gz QCRRRWWONDSBOD-FUHWJXTLSA-N 0 0 495.571 4.607 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)CC(F)(F)F ZINC001360458752 1065359031 /nfs/dbraw/zinc/35/90/31/1065359031.db2.gz OGPPGZCWQPTIPC-OAHLLOKOSA-N 0 0 455.912 4.807 20 0 JJADRN CC(C)CCn1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)nn1 ZINC001436555777 1065359783 /nfs/dbraw/zinc/35/97/83/1065359783.db2.gz HZFHZBWIGPFLNE-GOSISDBHSA-N 0 0 457.575 4.703 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1ccc(COc2ccc(C)cc2C)o1)c1cccc(OC)c1 ZINC001436559704 1065361910 /nfs/dbraw/zinc/36/19/10/1065361910.db2.gz BJIQCTQBNURUDL-SANMLTNESA-N 0 0 451.519 4.692 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCSC1 ZINC001360460551 1065362428 /nfs/dbraw/zinc/36/24/28/1065362428.db2.gz CAPCPTBJVOWUCH-XCLFUZPHSA-N 0 0 497.459 4.974 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)c1 ZINC001360460097 1065362593 /nfs/dbraw/zinc/36/25/93/1065362593.db2.gz QZJOMVBFFVCRSF-UHFFFAOYSA-N 0 0 458.213 4.533 20 0 JJADRN C[C@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)c1ccc(Br)cc1F ZINC001436561193 1065363306 /nfs/dbraw/zinc/36/33/06/1065363306.db2.gz ZXWKSDFKBPFYRS-JTQLQIEISA-N 0 0 458.353 4.560 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1Cl ZINC001360460842 1065363960 /nfs/dbraw/zinc/36/39/60/1065363960.db2.gz ICMWTFMTBPWMQH-MRXNPFEDSA-N 0 0 460.003 4.505 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cc(-n4cccc4)ccn3)c2)c1 ZINC001436562563 1065364546 /nfs/dbraw/zinc/36/45/46/1065364546.db2.gz HMQLHMDQJKNCHE-UHFFFAOYSA-N 0 0 454.486 4.554 20 0 JJADRN COc1cnc(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(Br)c1 ZINC001436562611 1065364673 /nfs/dbraw/zinc/36/46/73/1065364673.db2.gz RYFYHDJWEXFAPJ-LBPRGKRZSA-N 0 0 450.333 4.691 20 0 JJADRN COc1cnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(Br)c1 ZINC001436562480 1065364785 /nfs/dbraw/zinc/36/47/85/1065364785.db2.gz QQMISXITTHCSTL-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001360460954 1065364716 /nfs/dbraw/zinc/36/47/16/1065364716.db2.gz KKOQOZYNEJRRKN-KKLQWCBXSA-N 0 0 471.646 4.778 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360460988 1065365206 /nfs/dbraw/zinc/36/52/06/1065365206.db2.gz KVHPAFLDBARVLX-QZMQVMSPSA-N 0 0 489.414 4.961 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001360461242 1065365972 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VBEKKOFGCVRBIQ-GOEBONIOSA-N 0 0 495.418 4.911 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)COCCO1 ZINC001360461511 1065367806 /nfs/dbraw/zinc/36/78/06/1065367806.db2.gz WJPOSIWNJHPFMK-VFNWGFHPSA-N 0 0 477.428 4.772 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc(Cl)cn1 ZINC001360461522 1065367874 /nfs/dbraw/zinc/36/78/74/1065367874.db2.gz WSDWVMSNLYWYGX-LBPRGKRZSA-N 0 0 480.823 4.845 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)COCCO1 ZINC001360461509 1065367966 /nfs/dbraw/zinc/36/79/66/1065367966.db2.gz WJPOSIWNJHPFMK-BTYIYWSLSA-N 0 0 477.428 4.772 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001436567246 1065368576 /nfs/dbraw/zinc/36/85/76/1065368576.db2.gz VJMIRLXYMWNGFA-OKZBNKHCSA-N 0 0 456.512 4.953 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1COCCO1 ZINC001360461579 1065368620 /nfs/dbraw/zinc/36/86/20/1065368620.db2.gz XTVNWPZTBVWMPP-HIFRSBDPSA-N 0 0 481.391 4.521 20 0 JJADRN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001436567555 1065369068 /nfs/dbraw/zinc/36/90/68/1065369068.db2.gz QHQCETUIVBYLLY-HUUCEWRRSA-N 0 0 451.352 4.764 20 0 JJADRN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001436567551 1065369159 /nfs/dbraw/zinc/36/91/59/1065369159.db2.gz QHQCETUIVBYLLY-GJZGRUSLSA-N 0 0 451.352 4.764 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCn1cc(Br)cn1 ZINC001360461614 1065369106 /nfs/dbraw/zinc/36/91/06/1065369106.db2.gz YGMOWOZXIQBEQB-ZDUSSCGKSA-N 0 0 492.834 4.912 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCOC2)n1CCCCn1cc(Br)cn1 ZINC001360461722 1065369166 /nfs/dbraw/zinc/36/91/66/1065369166.db2.gz AJILMCMOQGEZQD-SJORKVTESA-N 0 0 493.475 4.870 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(=O)N(C)C ZINC001360461770 1065369693 /nfs/dbraw/zinc/36/96/93/1065369693.db2.gz BJSNUVOMAUXIMQ-QGZVFWFLSA-N 0 0 464.595 4.727 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001360461776 1065369707 /nfs/dbraw/zinc/36/97/07/1065369707.db2.gz BKOROHJYQFCSID-MAUKXSAKSA-N 0 0 459.616 4.561 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC001436568221 1065369836 /nfs/dbraw/zinc/36/98/36/1065369836.db2.gz QWASGBXWNKGIJW-JOCHJYFZSA-N 0 0 451.567 4.811 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1nscc1Br)c1ccccc1 ZINC001436568575 1065369917 /nfs/dbraw/zinc/36/99/17/1065369917.db2.gz VRTGGHMKWIUGFL-HNNXBMFYSA-N 0 0 454.390 4.682 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001360461777 1065369814 /nfs/dbraw/zinc/36/98/14/1065369814.db2.gz BKOROHJYQFCSID-QAPCUYQASA-N 0 0 459.616 4.561 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001360462785 1065371342 /nfs/dbraw/zinc/37/13/42/1065371342.db2.gz MWBIASHBPVLLSY-IVZQSRNASA-N 0 0 454.987 4.555 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001360463309 1065372124 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HZBLKZISYXFPIW-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC001436574178 1065373873 /nfs/dbraw/zinc/37/38/73/1065373873.db2.gz HULXVJHLVBZBJA-PGRDOPGGSA-N 0 0 457.592 4.733 20 0 JJADRN Cc1cc(C(F)(F)F)ncc1NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001436573754 1065373928 /nfs/dbraw/zinc/37/39/28/1065373928.db2.gz NVQGXTXTYSIWCA-UHFFFAOYSA-N 0 0 454.449 4.764 20 0 JJADRN CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001360464261 1065373970 /nfs/dbraw/zinc/37/39/70/1065373970.db2.gz ABULGWUZSIOCCD-FHWLQOOXSA-N 0 0 458.590 4.855 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ncnn1C(C)(C)C ZINC001360465820 1065374545 /nfs/dbraw/zinc/37/45/45/1065374545.db2.gz BDGMFVYNJCRLBP-INIZCTEOSA-N 0 0 453.591 4.662 20 0 JJADRN CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001360465148 1065374559 /nfs/dbraw/zinc/37/45/59/1065374559.db2.gz NHTWPKSTZVEQLQ-OALUTQOASA-N 0 0 452.389 4.826 20 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CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001436716533 1065429462 /nfs/dbraw/zinc/42/94/62/1065429462.db2.gz XYXSCOLCVHRAST-UTCUMILBSA-N 0 0 457.014 4.848 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(CCC(C)=O)cc2)cc1NC(=O)C1CCCCC1 ZINC001360502959 1065429798 /nfs/dbraw/zinc/42/97/98/1065429798.db2.gz AGKQHWXINOQURZ-UHFFFAOYSA-N 0 0 452.551 4.753 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 ZINC001360502893 1065429837 /nfs/dbraw/zinc/42/98/37/1065429837.db2.gz FPKAEJBHCKGILF-AZUAARDMSA-N 0 0 483.682 4.942 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 ZINC001360502950 1065429908 /nfs/dbraw/zinc/42/99/08/1065429908.db2.gz GKXOUHRZXGRTNK-SBHAEUEKSA-N 0 0 489.686 4.763 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001436724810 1065430429 /nfs/dbraw/zinc/43/04/29/1065430429.db2.gz DNMJVZIGKGKDBO-NHCUHLMSSA-N 0 0 464.484 4.800 20 0 JJADRN O=C(Nc1cccc2c1CCNC2=O)c1ccccc1OCc1cccc(Br)c1 ZINC001436724790 1065430442 /nfs/dbraw/zinc/43/04/42/1065430442.db2.gz HMCMFLKAQONGDK-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl ZINC001360503027 1065430541 /nfs/dbraw/zinc/43/05/41/1065430541.db2.gz GVYZWDJADLTNPD-VGOFRKELSA-N 0 0 455.990 4.780 20 0 JJADRN O=C(COc1ccc2ccccc2c1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC001436729675 1065431209 /nfs/dbraw/zinc/43/12/09/1065431209.db2.gz AGMKOYRQIGKXCM-UHFFFAOYSA-N 0 0 459.315 4.596 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001360503364 1065431403 /nfs/dbraw/zinc/43/14/03/1065431403.db2.gz JRQVOQHMYQESLX-HXUWFJFHSA-N 0 0 469.674 4.869 20 0 JJADRN C[C@]1(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCOc2ccccc21 ZINC001360503325 1065431557 /nfs/dbraw/zinc/43/15/57/1065431557.db2.gz HXNYVRLEJMSVSQ-QFIPXVFZSA-N 0 0 457.317 4.715 20 0 JJADRN CCSCc1ccc(C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)cc1 ZINC001436733653 1065432159 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454.353 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545900976 1065434743 /nfs/dbraw/zinc/43/47/43/1065434743.db2.gz YOHMUIHSALKKGG-AZUAARDMSA-N 0 0 475.703 4.921 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360504339 1065434896 /nfs/dbraw/zinc/43/48/96/1065434896.db2.gz TURHTWAWIGGVGP-ANTGDGSKSA-N 0 0 489.686 4.809 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl ZINC001360504411 1065435887 /nfs/dbraw/zinc/43/58/87/1065435887.db2.gz UPVAPHDIPZAPGF-KRWDZBQOSA-N 0 0 458.006 4.866 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1 ZINC001360504384 1065435897 /nfs/dbraw/zinc/43/58/97/1065435897.db2.gz UGOCECBKRDBJAW-WBVHZDCISA-N 0 0 491.455 4.817 20 0 JJADRN Cc1c(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)nnn1-c1cccc(C)c1 ZINC001436770256 1065438292 /nfs/dbraw/zinc/43/82/92/1065438292.db2.gz JPFXBQZDSXRUIR-UHFFFAOYSA-N 0 0 458.469 4.598 20 0 JJADRN Cn1ncc(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)c1Cc1ccccc1 ZINC001436770620 1065438325 /nfs/dbraw/zinc/43/83/25/1065438325.db2.gz LTPVITLGKAANHL-UHFFFAOYSA-N 0 0 457.481 4.724 20 0 JJADRN C[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360505050 1065439052 /nfs/dbraw/zinc/43/90/52/1065439052.db2.gz GWLRIWHDMAVMDX-RDTXWAMCSA-N 0 0 498.347 4.997 20 0 JJADRN Cc1ccc(CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c2ccccc12 ZINC001436772499 1065439111 /nfs/dbraw/zinc/43/91/11/1065439111.db2.gz HZZIESWNJVMMLB-UHFFFAOYSA-N 0 0 450.585 4.534 20 0 JJADRN O=C(Nc1cc(N2CCOCC2)c(Br)cn1)c1cc2c(s1)CCCCCC2 ZINC001436775498 1065439213 /nfs/dbraw/zinc/43/92/13/1065439213.db2.gz PMOBPOBKZCIPMQ-UHFFFAOYSA-N 0 0 450.402 4.654 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1 ZINC001360505326 1065440684 /nfs/dbraw/zinc/44/06/84/1065440684.db2.gz MDNLUHQJVXQCEE-UCNVEGJOSA-N 0 0 469.655 4.865 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC001436792231 1065441899 /nfs/dbraw/zinc/44/18/99/1065441899.db2.gz TZHYZVPKBCXYFL-LJQANCHMSA-N 0 0 451.573 4.682 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1C(C)C ZINC001545901585 1065442633 /nfs/dbraw/zinc/44/26/33/1065442633.db2.gz RAKUMAPNZMRJTD-QGZVFWFLSA-N 0 0 450.505 4.669 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CC[C@@H]1c1ccc(C)o1 ZINC001436806353 1065443597 /nfs/dbraw/zinc/44/35/97/1065443597.db2.gz ODYBZHJXSXOISO-QZTJIDSGSA-N 0 0 453.461 4.974 20 0 JJADRN CC[C@@H]1CN(C(=O)c2noc3c2CC(C)(C)CC3)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506565 1065444694 /nfs/dbraw/zinc/44/46/94/1065444694.db2.gz GWFFJQFGRNCKCT-VQTJNVASSA-N 0 0 453.583 4.841 20 0 JJADRN CCOC(=O)N(C)CCCC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001360506683 1065444768 /nfs/dbraw/zinc/44/47/68/1065444768.db2.gz HQLMQNCSJCHGNF-UHFFFAOYSA-N 0 0 456.518 4.617 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360507379 1065445514 /nfs/dbraw/zinc/44/55/14/1065445514.db2.gz OLMKRBDLKGMYFD-SGKWCMOWSA-N 0 0 450.579 4.837 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(I)c(F)c2)c2ccco2)cc1 ZINC001436811140 1065445960 /nfs/dbraw/zinc/44/59/60/1065445960.db2.gz LHIGQKDDIAWBSL-GOSISDBHSA-N 0 0 451.235 4.551 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000022398081 1065446506 /nfs/dbraw/zinc/44/65/06/1065446506.db2.gz YWRLZGYSUZSWPN-UHFFFAOYSA-N 0 0 486.553 4.838 20 0 JJADRN CNC(=O)c1cncc(/C=C/C(=O)NC2(c3ccc(Br)c(C)c3)CCCCC2)c1 ZINC001436816018 1065446886 /nfs/dbraw/zinc/44/68/86/1065446886.db2.gz SIZFIGXCIQYOBQ-RMKNXTFCSA-N 0 0 456.384 4.501 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)ccc2c1 ZINC001436818814 1065446919 /nfs/dbraw/zinc/44/69/19/1065446919.db2.gz PSHOYEPBLLIMRV-ZAOIQFLMSA-N 0 0 452.473 4.824 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)O[C@H](C)c2csnn2)CCC(=O)N1c1ccc(C)cc1 ZINC001436819722 1065447615 /nfs/dbraw/zinc/44/76/15/1065447615.db2.gz BJQMQLOWVBRHIP-BVZALQNUSA-N 0 0 451.548 4.644 20 0 JJADRN CCOC(=O)Cc1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)s1 ZINC001436821045 1065447721 /nfs/dbraw/zinc/44/77/21/1065447721.db2.gz VOWZYVOCFPFVBK-UHFFFAOYSA-N 0 0 453.545 4.935 20 0 JJADRN CCc1sc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc1Br ZINC001436825946 1065448395 /nfs/dbraw/zinc/44/83/95/1065448395.db2.gz RLDOHLHGFKVDAF-LBPRGKRZSA-N 0 0 459.328 4.649 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001436828096 1065448534 /nfs/dbraw/zinc/44/85/34/1065448534.db2.gz YYXKJMHBJYKZHN-IBGZPJMESA-N 0 0 454.929 4.660 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)cc1 ZINC001436836655 1065449530 /nfs/dbraw/zinc/44/95/30/1065449530.db2.gz LAVDDVLFIOGQDP-HYBUGGRVSA-N 0 0 458.986 4.706 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001545902257 1065451241 /nfs/dbraw/zinc/45/12/41/1065451241.db2.gz KYCHFOSFRMLUGW-LJQANCHMSA-N 0 0 492.455 4.824 20 0 JJADRN Cc1cc(OCCCC(=O)Nc2nn(CC(F)(F)F)cc2Br)ccc1Cl ZINC001436857314 1065453382 /nfs/dbraw/zinc/45/33/82/1065453382.db2.gz NLSGNEDDBZCQBQ-UHFFFAOYSA-N 0 0 454.674 4.967 20 0 JJADRN Cc1nc(CCC(=O)Nc2nn(CC(F)(F)F)cc2Br)oc1-c1ccccc1 ZINC001436859555 1065454346 /nfs/dbraw/zinc/45/43/46/1065454346.db2.gz WZGZUHLFGHAARL-UHFFFAOYSA-N 0 0 457.250 4.743 20 0 JJADRN C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1)c1ccccc1 ZINC001360510496 1065454398 /nfs/dbraw/zinc/45/43/98/1065454398.db2.gz LWEKOEIATBNVPO-GOSISDBHSA-N 0 0 481.670 4.767 20 0 JJADRN COC(=O)[C@@H](CC1CC1)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 ZINC001436862292 1065454649 /nfs/dbraw/zinc/45/46/49/1065454649.db2.gz WVOPQCNNCYDULY-SARUNTBLSA-N 0 0 450.560 4.694 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](c3ccccc3)C1(C)C)C2=O ZINC001436861258 1065454815 /nfs/dbraw/zinc/45/48/15/1065454815.db2.gz KWUDPOXZXTYEGH-UYZKZEGUSA-N 0 0 453.627 4.698 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](c3ccccc3)C1(C)C)C2=O ZINC001436861251 1065454907 /nfs/dbraw/zinc/45/49/07/1065454907.db2.gz KWUDPOXZXTYEGH-NOSKCJGJSA-N 0 0 453.627 4.698 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860890 1065454928 /nfs/dbraw/zinc/45/49/28/1065454928.db2.gz VAWMPTGIMBCLPF-MAUKXSAKSA-N 0 0 452.979 4.622 20 0 JJADRN C[C@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC001360511121 1065455483 /nfs/dbraw/zinc/45/54/83/1065455483.db2.gz SYLBEEOWJNQSDI-YADHBBJMSA-N 0 0 490.652 4.903 20 0 JJADRN COc1cc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc(Cl)c1OCCC(C)C ZINC001436864311 1065455762 /nfs/dbraw/zinc/45/57/62/1065455762.db2.gz REOVQHVJMMZQCK-FQEVSTJZSA-N 0 0 451.007 4.685 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)Nc1nn(CC(F)(F)F)cc1Br ZINC001436865226 1065455801 /nfs/dbraw/zinc/45/58/01/1065455801.db2.gz SSKZQCYKYBMZTR-UHFFFAOYSA-N 0 0 459.035 4.670 20 0 JJADRN C[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 ZINC001360511120 1065455757 /nfs/dbraw/zinc/45/57/57/1065455757.db2.gz SYLBEEOWJNQSDI-VXKWHMMOSA-N 0 0 490.652 4.903 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)OCc3c(Br)cc(F)c(F)c3F)cc2)C[C@@H](C)O1 ZINC001436866255 1065456589 /nfs/dbraw/zinc/45/65/89/1065456589.db2.gz ADJQUPAPNVHSKL-VXGBXAGGSA-N 0 0 458.274 4.837 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3csc(-c4ccccn4)n3)cc2)c1 ZINC001360512002 1065458371 /nfs/dbraw/zinc/45/83/71/1065458371.db2.gz ABWJGXHARJTFHO-UHFFFAOYSA-N 0 0 451.529 4.653 20 0 JJADRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001436871757 1065459353 /nfs/dbraw/zinc/45/93/53/1065459353.db2.gz GMEVLZSSINNPKS-UHFFFAOYSA-N 0 0 455.580 4.567 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)CCCOc2ccc3c(c2)CCC3)C1 ZINC001436874354 1065460999 /nfs/dbraw/zinc/46/09/99/1065460999.db2.gz HGHIJUBLSWMDGZ-QFIPXVFZSA-N 0 0 450.579 4.817 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513517 1065460957 /nfs/dbraw/zinc/46/09/57/1065460957.db2.gz BJOOGHPDYHVFBJ-IBGZPJMESA-N 0 0 499.635 4.736 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360513669 1065461616 /nfs/dbraw/zinc/46/16/16/1065461616.db2.gz FKBGAMAXHIDQRU-XFKSJGNHSA-N 0 0 493.599 4.854 20 0 JJADRN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001436876176 1065461629 /nfs/dbraw/zinc/46/16/29/1065461629.db2.gz MRUMBXXGBVDXLN-LJQANCHMSA-N 0 0 451.498 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1Cc1sc(C)nc1C ZINC001545902485 1065461644 /nfs/dbraw/zinc/46/16/44/1065461644.db2.gz PJZAKKPVEGWCBT-HXUWFJFHSA-N 0 0 470.618 4.799 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001436878279 1065462627 /nfs/dbraw/zinc/46/26/27/1065462627.db2.gz SJPCLBYQRXPCEH-QGZVFWFLSA-N 0 0 451.498 4.885 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(OC)cc2OCC(C)C)c1C ZINC001436877040 1065462663 /nfs/dbraw/zinc/46/26/63/1065462663.db2.gz JTBUZGKNGPYXTM-UHFFFAOYSA-N 0 0 450.329 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O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1nc(Br)c2ccccn21 ZINC001360537487 1065521336 /nfs/dbraw/zinc/52/13/36/1065521336.db2.gz FTUZFGIMAYEYKQ-MUUNZHRXSA-N 0 0 454.349 4.657 20 0 JJADRN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc(I)c(Cl)cc1Cl ZINC001437219757 1065521317 /nfs/dbraw/zinc/52/13/17/1065521317.db2.gz ATDFQKOIYPNFPM-HUUCEWRRSA-N 0 0 454.135 4.676 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1=O ZINC001360537823 1065521824 /nfs/dbraw/zinc/52/18/24/1065521824.db2.gz NEZPMRYKMCAKBW-KTBRYMIGSA-N 0 0 452.620 4.822 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)nn1-c1cc(C)cc(C)c1 ZINC001360537784 1065521916 /nfs/dbraw/zinc/52/19/16/1065521916.db2.gz MGALDAGTMBIPLW-SFHVURJKSA-N 0 0 458.484 4.705 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC001437221286 1065521952 /nfs/dbraw/zinc/52/19/52/1065521952.db2.gz OYRQXYIEJYYSEK-QFBILLFUSA-N 0 0 455.380 4.858 20 0 JJADRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001360538172 1065522461 /nfs/dbraw/zinc/52/24/61/1065522461.db2.gz DOBIIWXEJQXNLQ-IEBWSBKVSA-N 0 0 456.624 4.997 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001360538708 1065523435 /nfs/dbraw/zinc/52/34/35/1065523435.db2.gz VYLHRGPDWQLZDQ-PMERELPUSA-N 0 0 459.633 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC001437233502 1065523712 /nfs/dbraw/zinc/52/37/12/1065523712.db2.gz VDVBHOZYXGCVSQ-UHFFFAOYSA-N 0 0 453.421 4.880 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2 ZINC001437230734 1065523768 /nfs/dbraw/zinc/52/37/68/1065523768.db2.gz KHKRIRIJBDPULE-UHFFFAOYSA-N 0 0 451.335 4.730 20 0 JJADRN COC(=O)CN(C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)c1ccccc1 ZINC001360539480 1065523906 /nfs/dbraw/zinc/52/39/06/1065523906.db2.gz IOJVKPRDRQKAPZ-UHFFFAOYSA-N 0 0 453.951 4.928 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001437234546 1065524513 /nfs/dbraw/zinc/52/45/13/1065524513.db2.gz YAVTYUZCQBWQOC-MRXNPFEDSA-N 0 0 458.521 4.917 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)no1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001437246675 1065524952 /nfs/dbraw/zinc/52/49/52/1065524952.db2.gz UFYJTZKTQZFXCY-UHFFFAOYSA-N 0 0 451.214 4.573 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001437243397 1065525074 /nfs/dbraw/zinc/52/50/74/1065525074.db2.gz KJVKQFGZMNGDBG-OAQYLSRUSA-N 0 0 450.432 4.562 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)C1)c1nccs1 ZINC001360540539 1065525684 /nfs/dbraw/zinc/52/56/84/1065525684.db2.gz HAXFTAPUSXNHDW-AWEZNQCLSA-N 0 0 462.417 4.583 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)OCc2ncc(Br)cc2Cl)CC2(CCC2)C1 ZINC001437254964 1065525980 /nfs/dbraw/zinc/52/59/80/1065525980.db2.gz GPJUPELDSFECNS-UHFFFAOYSA-N 0 0 459.768 4.768 20 0 JJADRN CCc1nc(C(=O)OCc2ncc(Br)cc2Cl)nn1-c1ccccc1Cl ZINC001437254838 1065526180 /nfs/dbraw/zinc/52/61/80/1065526180.db2.gz FKJCEFYFNMHRSR-UHFFFAOYSA-N 0 0 456.127 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1Cc1csc([C@@H](C)OC)n1 ZINC001545905708 1065526269 /nfs/dbraw/zinc/52/62/69/1065526269.db2.gz HRBJIEVZNFXZSU-QGZVFWFLSA-N 0 0 474.675 4.569 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N(Cc3ncc[nH]3)c3cncc(Br)c3)c2)cs1 ZINC001437260509 1065526535 /nfs/dbraw/zinc/52/65/35/1065526535.db2.gz BGSXBMYRSCNQOE-UHFFFAOYSA-N 0 0 454.353 4.846 20 0 JJADRN Cc1nc(-c2ccccc2)sc1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001437261498 1065526567 /nfs/dbraw/zinc/52/65/67/1065526567.db2.gz GMPQDLWTWPOQRI-UHFFFAOYSA-N 0 0 454.353 4.846 20 0 JJADRN CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)CCCc2ccc(Br)s2)C1 ZINC001437263197 1065526597 /nfs/dbraw/zinc/52/65/97/1065526597.db2.gz MZQUGGWWAPYRJC-AWEZNQCLSA-N 0 0 454.361 4.741 20 0 JJADRN C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C)c1nccs1 ZINC001360541113 1065526913 /nfs/dbraw/zinc/52/69/13/1065526913.db2.gz MDVWTLHDVRFZSL-QGZVFWFLSA-N 0 0 468.671 4.854 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)CCCc2ccc(Br)s2)C1 ZINC001437263201 1065527373 /nfs/dbraw/zinc/52/73/73/1065527373.db2.gz MZQUGGWWAPYRJC-CQSZACIVSA-N 0 0 454.361 4.741 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)Cc2sc(SCC(C)C)nc2C)C1 ZINC001437270542 1065527846 /nfs/dbraw/zinc/52/78/46/1065527846.db2.gz KOZGAYCNBBERRG-MRXNPFEDSA-N 0 0 450.601 4.650 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCSCC1)N(C)C(=O)OC(C)(C)C ZINC001360541295 1065527904 /nfs/dbraw/zinc/52/79/04/1065527904.db2.gz OBQUSFKJKRAKDC-HNNXBMFYSA-N 0 0 496.475 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001545905845 1065528318 /nfs/dbraw/zinc/52/83/18/1065528318.db2.gz KOCUGUWWEOHDFT-MHZLTWQESA-N 0 0 478.641 4.530 20 0 JJADRN C[C@H]1CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCc2ccc(F)cc21 ZINC001437275285 1065528384 /nfs/dbraw/zinc/52/83/84/1065528384.db2.gz PXHVMOCBEJDUIT-KRWDZBQOSA-N 0 0 450.485 4.784 20 0 JJADRN C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360541434 1065528783 /nfs/dbraw/zinc/52/87/83/1065528783.db2.gz LKTUDTYVRLJLHM-PKOBYXMFSA-N 0 0 485.629 4.802 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1)N(C)c1ccccc1 ZINC001360541699 1065529114 /nfs/dbraw/zinc/52/91/14/1065529114.db2.gz SCTWMFYZRDNDMP-INIZCTEOSA-N 0 0 490.471 4.503 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC001437279898 1065529143 /nfs/dbraw/zinc/52/91/43/1065529143.db2.gz NBSHGPGBTAQBAU-VGSWGCGISA-N 0 0 457.361 4.954 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1)N(C)c1ccccc1 ZINC001360541691 1065529169 /nfs/dbraw/zinc/52/91/69/1065529169.db2.gz SAZIPMFPLNFBCU-INIZCTEOSA-N 0 0 490.471 4.909 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1)N(C)c1ccccc1 ZINC001360541700 1065529245 /nfs/dbraw/zinc/52/92/45/1065529245.db2.gz SCTWMFYZRDNDMP-MRXNPFEDSA-N 0 0 490.471 4.503 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(Cl)c1 ZINC001437282925 1065529527 /nfs/dbraw/zinc/52/95/27/1065529527.db2.gz HJVZGQQFGHAERA-QUCCMNQESA-N 0 0 457.958 4.734 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nccc(Br)c3Cl)C2)c1 ZINC001437284091 1065530018 /nfs/dbraw/zinc/53/00/18/1065530018.db2.gz RAPDBOSFLSREDQ-CQSZACIVSA-N 0 0 450.764 4.605 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001437286670 1065531037 /nfs/dbraw/zinc/53/10/37/1065531037.db2.gz HWDZHMOOZORROU-HXUWFJFHSA-N 0 0 458.986 4.793 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)c2ccccc21 ZINC001437286236 1065531174 /nfs/dbraw/zinc/53/11/74/1065531174.db2.gz HGCNIOGSYGIMMU-DLBZAZTESA-N 0 0 454.514 4.867 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)c2ccccc21 ZINC001437286246 1065531204 /nfs/dbraw/zinc/53/12/04/1065531204.db2.gz HGCNIOGSYGIMMU-IRXDYDNUSA-N 0 0 454.514 4.867 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)N(C)[C@H]3CCCc4c(OC)ccc(Cl)c43)CC2=O)cc1 ZINC001437287471 1065531644 /nfs/dbraw/zinc/53/16/44/1065531644.db2.gz KODULWVSPIZTFB-KKSFZXQISA-N 0 0 456.970 4.636 20 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C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)n1 ZINC001437421853 1065550633 /nfs/dbraw/zinc/55/06/33/1065550633.db2.gz QIZKVLXOJMAAHV-DYVFJYSZSA-N 0 0 450.352 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC001437423333 1065550685 /nfs/dbraw/zinc/55/06/85/1065550685.db2.gz PUWYBCIACDDTMU-YADHBBJMSA-N 0 0 454.592 4.674 20 0 JJADRN O=C(c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)N1CCS[C@@H](c2ccccc2)C1 ZINC001437423525 1065550834 /nfs/dbraw/zinc/55/08/34/1065550834.db2.gz QDKFSZKYAKAVAX-GOSISDBHSA-N 0 0 452.889 4.870 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001437425074 1065551121 /nfs/dbraw/zinc/55/11/21/1065551121.db2.gz UQQGMJRWBIWIFP-XDHUDOTRSA-N 0 0 458.990 4.601 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc3c(Br)cccc3cn1)C2 ZINC001437424958 1065551153 /nfs/dbraw/zinc/55/11/53/1065551153.db2.gz VXONNWPTGKIGPX-HJPURHCSSA-N 0 0 474.399 4.764 20 0 JJADRN CCOc1cccc(CCNC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001545906820 1065551267 /nfs/dbraw/zinc/55/12/67/1065551267.db2.gz NPLYFIDVTQCLLI-QFIPXVFZSA-N 0 0 455.599 4.858 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(F)cc(F)c1)N(C)C(=O)OC(C)(C)C ZINC001360560622 1065551476 /nfs/dbraw/zinc/55/14/76/1065551476.db2.gz ZRBUVPHIXJZTDP-OXJNMPFZSA-N 0 0 479.572 4.690 20 0 JJADRN CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001360560805 1065551614 /nfs/dbraw/zinc/55/16/14/1065551614.db2.gz HCYRZOMTOPEADH-PRXAMGSTSA-N 0 0 452.418 4.609 20 0 JJADRN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c(I)cc1Cl ZINC001437437087 1065551675 /nfs/dbraw/zinc/55/16/75/1065551675.db2.gz DMSATTUUIBHMEM-IAQYHMDHSA-N 0 0 463.743 4.588 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CCOC1 ZINC001437439035 1065552357 /nfs/dbraw/zinc/55/23/57/1065552357.db2.gz IWANMTKDWBBOOQ-RUZDIDTESA-N 0 0 452.938 4.786 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001437444892 1065552904 /nfs/dbraw/zinc/55/29/04/1065552904.db2.gz VDLTUWHGFKONFE-DENIHFKCSA-N 0 0 458.599 4.626 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001437442984 1065553024 /nfs/dbraw/zinc/55/30/24/1065553024.db2.gz ZJPRORYAMXDJAM-RHSMWYFYSA-N 0 0 452.979 4.951 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001437444902 1065553050 /nfs/dbraw/zinc/55/30/50/1065553050.db2.gz VDLTUWHGFKONFE-UGKGYDQZSA-N 0 0 458.599 4.626 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)Oc1cccc(F)c1 ZINC001360562800 1065553068 /nfs/dbraw/zinc/55/30/68/1065553068.db2.gz GBIUVHMPPFQWNB-UYAOXDASSA-N 0 0 487.620 4.845 20 0 JJADRN COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1OC ZINC001437449793 1065553406 /nfs/dbraw/zinc/55/34/06/1065553406.db2.gz GLFZJTZDYKLVNX-RNTFSAEZSA-N 0 0 452.551 4.590 20 0 JJADRN COc1ccc(/C=C\C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1OC ZINC001437449796 1065553419 /nfs/dbraw/zinc/55/34/19/1065553419.db2.gz GLFZJTZDYKLVNX-UMDONVSZSA-N 0 0 452.551 4.590 20 0 JJADRN COc1ccc(C(=O)N[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1N1CCNC1=O ZINC001437450143 1065553592 /nfs/dbraw/zinc/55/35/92/1065553592.db2.gz WOWLDWAJENPAHH-MOPGFXCFSA-N 0 0 459.546 4.856 20 0 JJADRN CN(C)[C@@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455458 1065554171 /nfs/dbraw/zinc/55/41/71/1065554171.db2.gz QFYACPWQTWREIS-RBBKRZOGSA-N 0 0 458.002 4.815 20 0 JJADRN CN(C)[C@@H](C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455456 1065554296 /nfs/dbraw/zinc/55/42/96/1065554296.db2.gz QFYACPWQTWREIS-IFMALSPDSA-N 0 0 458.002 4.815 20 0 JJADRN COC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1cccc(OC)c1 ZINC001437455108 1065554349 /nfs/dbraw/zinc/55/43/49/1065554349.db2.gz RJSUTPORJXDCRO-QFIPXVFZSA-N 0 0 453.970 4.921 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c1 ZINC001437456883 1065554367 /nfs/dbraw/zinc/55/43/67/1065554367.db2.gz WBHZETMOTVVEPM-KRWDZBQOSA-N 0 0 458.942 4.613 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C)c1nccs1 ZINC001360563953 1065554346 /nfs/dbraw/zinc/55/43/46/1065554346.db2.gz NDRGSNBCJDEQKS-WJFTUGDTSA-N 0 0 474.675 4.888 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1)N(C)c1ccccc1 ZINC001360563956 1065554628 /nfs/dbraw/zinc/55/46/28/1065554628.db2.gz NDVBJABOZLYHLZ-QZTJIDSGSA-N 0 0 488.430 4.689 20 0 JJADRN COCCCOc1cccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c1 ZINC001437457057 1065554694 /nfs/dbraw/zinc/55/46/94/1065554694.db2.gz XHDVQTVTRKDADG-OAQYLSRUSA-N 0 0 454.567 4.588 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)Cc2cc(Cl)cc3c2OCC3)C1 ZINC001437457773 1065554933 /nfs/dbraw/zinc/55/49/33/1065554933.db2.gz YPWJVBBZXUVRJS-FQEVSTJZSA-N 0 0 456.970 4.690 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)[C@H]2CCCC[C@H]12 ZINC001437459568 1065555287 /nfs/dbraw/zinc/55/52/87/1065555287.db2.gz SRDFNJIPFTXGAK-QRVBRYPASA-N 0 0 454.430 4.902 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N[C@H]2CSCc3ccc(Br)cc32)CC1 ZINC001437463773 1065556053 /nfs/dbraw/zinc/55/60/53/1065556053.db2.gz TWXGTCGNTOGTRA-INIZCTEOSA-N 0 0 459.500 4.603 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)N(C)c1ccccc1 ZINC001360565716 1065556110 /nfs/dbraw/zinc/55/61/10/1065556110.db2.gz YWBZBYSALNEZAI-MZEQIWSPSA-N 0 0 455.647 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c2ccccc21 ZINC001360566495 1065557367 /nfs/dbraw/zinc/55/73/67/1065557367.db2.gz RJJLRYGOGHFREW-UHFFFAOYSA-N 0 0 452.555 4.858 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(-c3cccc(C)c3)cc2)c(OC)c1 ZINC001360566313 1065557440 /nfs/dbraw/zinc/55/74/40/1065557440.db2.gz KBSAAFXYGXPQMO-VWLOTQADSA-N 0 0 458.558 4.600 20 0 JJADRN Cc1c(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)nnn1-c1ccccc1 ZINC001437471017 1065557479 /nfs/dbraw/zinc/55/74/79/1065557479.db2.gz JSNIHZYJXUZURZ-QHCPKHFHSA-N 0 0 458.484 4.641 20 0 JJADRN CSc1cccc(Nc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(F)c3)nc2)c1 ZINC001437471362 1065557647 /nfs/dbraw/zinc/55/76/47/1065557647.db2.gz JJPPCZXCELQFBK-NZQKXSOJSA-N 0 0 450.539 4.844 20 0 JJADRN CC(=O)c1ccc2ccccc2c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001437470218 1065557656 /nfs/dbraw/zinc/55/76/56/1065557656.db2.gz GBQCMAAXLAXKJL-UHFFFAOYSA-N 0 0 456.951 4.733 20 0 JJADRN O=C(CCS(=O)(=O)c1cccc(Br)c1)Nc1ccc2ccn(C(F)F)c2c1 ZINC001437472212 1065557707 /nfs/dbraw/zinc/55/77/07/1065557707.db2.gz JVCTZVUBHAEKSW-UHFFFAOYSA-N 0 0 457.296 4.601 20 0 JJADRN Cc1nc(CCC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)oc1-c1ccccc1 ZINC001437472748 1065558130 /nfs/dbraw/zinc/55/81/30/1065558130.db2.gz XYHOOAXUJNETAX-HXUWFJFHSA-N 0 0 455.352 4.945 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCC1=CCc2ccc(OC)cc21 ZINC001545907124 1065558224 /nfs/dbraw/zinc/55/82/24/1065558224.db2.gz AJBAHGOKPNVOAF-LJQANCHMSA-N 0 0 465.642 4.861 20 0 JJADRN O=C(NCCc1ccc(I)s1)c1cc(-c2ccccc2Cl)on1 ZINC001360567341 1065558455 /nfs/dbraw/zinc/55/84/55/1065558455.db2.gz FJLKZIMLYAHELT-UHFFFAOYSA-N 0 0 458.708 4.634 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001545907135 1065558893 /nfs/dbraw/zinc/55/88/93/1065558893.db2.gz AVNIXJPQHXIKRH-NZQKXSOJSA-N 0 0 495.672 4.544 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1C[C@H]1c1cccnc1 ZINC001360567834 1065559092 /nfs/dbraw/zinc/55/90/92/1065559092.db2.gz VVLKZEXEHXYNCR-ZVDOUQERSA-N 0 0 472.301 4.835 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1)Oc1ccc(Cl)cc1 ZINC001360568289 1065560278 /nfs/dbraw/zinc/56/02/78/1065560278.db2.gz CDXLDNLOXGTXMB-FQEVSTJZSA-N 0 0 492.108 4.782 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 ZINC001360568195 1065560300 /nfs/dbraw/zinc/56/03/00/1065560300.db2.gz BQQUFTORNCOVNI-UGKGYDQZSA-N 0 0 465.621 4.705 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)Oc1ccccc1F ZINC001360568640 1065560507 /nfs/dbraw/zinc/56/05/07/1065560507.db2.gz DYXMLCICJDEYLI-MOPGFXCFSA-N 0 0 486.661 4.813 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1Cc1csc(-c2ccco2)n1 ZINC001545907154 1065560618 /nfs/dbraw/zinc/56/06/18/1065560618.db2.gz BCYBGZJKYMUMOD-SFHVURJKSA-N 0 0 488.683 4.683 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001545907175 1065560633 /nfs/dbraw/zinc/56/06/33/1065560633.db2.gz BOGAPOLOWCKDJN-FXAWDEMLSA-N 0 0 490.048 4.684 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1)Sc1ccccc1 ZINC001360569165 1065561234 /nfs/dbraw/zinc/56/12/34/1065561234.db2.gz IOJDLZUZHHAQMK-IBGZPJMESA-N 0 0 470.712 4.826 20 0 JJADRN CCC[C@H](C)N(C(=O)c1cc(Br)cnc1F)c1nc(C)c(C(=O)OCC)s1 ZINC001360568859 1065561315 /nfs/dbraw/zinc/56/13/15/1065561315.db2.gz JMXUCLVCRJOIKK-JTQLQIEISA-N 0 0 458.353 4.760 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)NCC(C)(C)c2ccccc2)c2ccccc2)cc1 ZINC001437487575 1065561278 /nfs/dbraw/zinc/56/12/78/1065561278.db2.gz WNALBPUNVWPWJM-UHFFFAOYSA-N 0 0 450.604 4.674 20 0 JJADRN C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC001360569091 1065562129 /nfs/dbraw/zinc/56/21/29/1065562129.db2.gz GHDITBMCCSXETJ-GCJKJVERSA-N 0 0 485.629 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001545907314 1065562418 /nfs/dbraw/zinc/56/24/18/1065562418.db2.gz GAIFFXBSHCHEIM-NRFANRHFSA-N 0 0 476.616 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccccc1Br ZINC001545907296 1065562431 /nfs/dbraw/zinc/56/24/31/1065562431.db2.gz FSKIXRTWEMGJJQ-INIZCTEOSA-N 0 0 462.436 4.634 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001545907304 1065562442 /nfs/dbraw/zinc/56/24/42/1065562442.db2.gz FTYUPSRRMWEKRZ-NRFANRHFSA-N 0 0 468.671 4.756 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccccc1Br ZINC001545907297 1065562547 /nfs/dbraw/zinc/56/25/47/1065562547.db2.gz FSKIXRTWEMGJJQ-MRXNPFEDSA-N 0 0 462.436 4.634 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001437501450 1065563018 /nfs/dbraw/zinc/56/30/18/1065563018.db2.gz DLYKGTRGMYSOOT-MRAISQQPSA-N 0 0 454.286 4.959 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC001437501228 1065563253 /nfs/dbraw/zinc/56/32/53/1065563253.db2.gz AECLMJSQWQRFAM-VBKZILBWSA-N 0 0 472.301 4.921 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)N(C)c1ccccc1 ZINC001360569853 1065563164 /nfs/dbraw/zinc/56/31/64/1065563164.db2.gz NGJDEQQISAFEEO-FDFHNCONSA-N 0 0 496.700 4.695 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1 ZINC001437502443 1065563542 /nfs/dbraw/zinc/56/35/42/1065563542.db2.gz HUXMLMDZLWACCZ-UGCQDJOBSA-N 0 0 457.368 4.646 20 0 JJADRN C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)OC1CCCC1)N(C)C(=O)OC(C)(C)C ZINC001360570338 1065563855 /nfs/dbraw/zinc/56/38/55/1065563855.db2.gz QJWWUYKMVAPVJN-MRXNPFEDSA-N 0 0 479.572 4.713 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccc(F)cc1 ZINC001360570905 1065564241 /nfs/dbraw/zinc/56/42/41/1065564241.db2.gz XIYLJLYJCGECLU-SFHVURJKSA-N 0 0 450.606 4.833 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001360570734 1065564349 /nfs/dbraw/zinc/56/43/49/1065564349.db2.gz OLBBHIDFLAVWJQ-HNNXBMFYSA-N 0 0 470.511 4.821 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1Cc1ccsc1Br ZINC001545907380 1065564947 /nfs/dbraw/zinc/56/49/47/1065564947.db2.gz HHRDAIDEDMWFAM-PBHICJAKSA-N 0 0 480.476 4.838 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1)Oc1ccccc1 ZINC001360571065 1065565218 /nfs/dbraw/zinc/56/52/18/1065565218.db2.gz YOWNCZXSFPUEPZ-HXUWFJFHSA-N 0 0 466.605 4.585 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001437511557 1065565435 /nfs/dbraw/zinc/56/54/35/1065565435.db2.gz NFICZAFSZDJNLX-GCKAQTDUSA-N 0 0 481.749 4.723 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccc(Br)c(Cl)c1F)CCC2 ZINC001437511873 1065565445 /nfs/dbraw/zinc/56/54/45/1065565445.db2.gz URXRASSAISJTOV-ZDUSSCGKSA-N 0 0 454.723 4.878 20 0 JJADRN COc1ccc(C2(CNC(=O)Cc3csc(-c4ccccn4)n3)CCCCC2)cc1OC ZINC001360572002 1065565744 /nfs/dbraw/zinc/56/57/44/1065565744.db2.gz NSXXOXTVWDFWGH-UHFFFAOYSA-N 0 0 451.592 4.783 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)C1(Cc3ccccc3Br)CC1)CCC2 ZINC001437514484 1065565972 /nfs/dbraw/zinc/56/59/72/1065565972.db2.gz ZJLRNFNBBIZHQM-IBGZPJMESA-N 0 0 456.380 4.795 20 0 JJADRN C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1nccs1 ZINC001360572882 1065566116 /nfs/dbraw/zinc/56/61/16/1065566116.db2.gz APPZZIFJCUVACB-BXKMTCNYSA-N 0 0 457.619 4.910 20 0 JJADRN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001360572315 1065566143 /nfs/dbraw/zinc/56/61/43/1065566143.db2.gz BPTLPNAJUKSCLK-UNXLUWIOSA-N 0 0 452.281 4.616 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360572876 1065566181 /nfs/dbraw/zinc/56/61/81/1065566181.db2.gz ANUKBMYFOPESPR-XUZZJYLKSA-N 0 0 490.652 4.731 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360572877 1065566192 /nfs/dbraw/zinc/56/61/92/1065566192.db2.gz ANUKBMYFOPESPR-ZJSXRUAMSA-N 0 0 490.652 4.731 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1ccc(Cl)cc1 ZINC001360572867 1065566290 /nfs/dbraw/zinc/56/62/90/1065566290.db2.gz AIQFDVMPYREPFI-IAGOWNOFSA-N 0 0 461.944 4.866 20 0 JJADRN C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1nccs1 ZINC001360572884 1065566310 /nfs/dbraw/zinc/56/63/10/1065566310.db2.gz APPZZIFJCUVACB-OSPHWJPCSA-N 0 0 457.619 4.910 20 0 JJADRN CC(C)(C)Sc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)ccn1 ZINC001437521079 1065566525 /nfs/dbraw/zinc/56/65/25/1065566525.db2.gz KHRIUMHYRLNAHB-SJORKVTESA-N 0 0 457.562 4.768 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)n1 ZINC001437525771 1065566712 /nfs/dbraw/zinc/56/67/12/1065566712.db2.gz CJSJMGBEMLXCFG-NRFANRHFSA-N 0 0 457.477 4.994 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Sc1ccccc1 ZINC001360573496 1065567174 /nfs/dbraw/zinc/56/71/74/1065567174.db2.gz NDHDNGPTSUBXCO-MOPGFXCFSA-N 0 0 490.599 4.518 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360573533 1065567666 /nfs/dbraw/zinc/56/76/66/1065567666.db2.gz NONRFGBVPZTDJV-RTBURBONSA-N 0 0 494.615 4.782 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1)Oc1ccccc1F ZINC001360573559 1065567678 /nfs/dbraw/zinc/56/76/78/1065567678.db2.gz NXQCBKZWOXOPLA-MRXNPFEDSA-N 0 0 461.463 4.569 20 0 JJADRN C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1nccs1 ZINC001360573693 1065567700 /nfs/dbraw/zinc/56/77/00/1065567700.db2.gz QPRDHRYSNQUDAV-XJKSGUPXSA-N 0 0 471.936 4.550 20 0 JJADRN Cn1cc(NC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(Br)n1 ZINC001437529935 1065568371 /nfs/dbraw/zinc/56/83/71/1065568371.db2.gz FMAFLKHJQPOLST-HNNXBMFYSA-N 0 0 457.413 4.765 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cc(Br)cc(OC(C)C)c2)n1 ZINC001437530997 1065568762 /nfs/dbraw/zinc/56/87/62/1065568762.db2.gz QLFXOQVAQQTPRA-QGZVFWFLSA-N 0 0 452.349 4.589 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)n1 ZINC001437530963 1065568789 /nfs/dbraw/zinc/56/87/89/1065568789.db2.gz QJFMEYCDWSYEPZ-LJQANCHMSA-N 0 0 457.962 4.555 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc2ccccc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC001360574313 1065568939 /nfs/dbraw/zinc/56/89/39/1065568939.db2.gz DCJCRRBSLUNIFD-LJQANCHMSA-N 0 0 489.624 4.637 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360574282 1065569086 /nfs/dbraw/zinc/56/90/86/1065569086.db2.gz CQVQOKYEDKGVNR-CTNGQTDRSA-N 0 0 494.665 4.548 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(O)cc1)N(C)C(=O)OC(C)(C)C ZINC001360574511 1065569406 /nfs/dbraw/zinc/56/94/06/1065569406.db2.gz IKOMOAYEQRGEFT-XXBNENTESA-N 0 0 492.624 4.566 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC2(CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360574465 1065569659 /nfs/dbraw/zinc/56/96/59/1065569659.db2.gz HWVIOCPFRKBEPU-HXUWFJFHSA-N 0 0 468.646 4.680 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)N1Cc2ccccc2C1=O ZINC001437544750 1065569685 /nfs/dbraw/zinc/56/96/85/1065569685.db2.gz GRRAPMDDZMIJJO-BVAGGSTKSA-N 0 0 454.998 4.619 20 0 JJADRN CC(C)C[C@H](C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)N1Cc2ccccc2C1=O ZINC001437544751 1065569795 /nfs/dbraw/zinc/56/97/95/1065569795.db2.gz GRRAPMDDZMIJJO-ZEQKJWHPSA-N 0 0 454.998 4.619 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)nc1 ZINC001437545374 1065569865 /nfs/dbraw/zinc/56/98/65/1065569865.db2.gz KBUOBVVONPHIPY-XMMPIXPASA-N 0 0 459.974 4.533 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360575244 1065570506 /nfs/dbraw/zinc/57/05/06/1065570506.db2.gz URSJWGPUVRVCAZ-OFNKIYASSA-N 0 0 476.625 4.513 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360575243 1065570601 /nfs/dbraw/zinc/57/06/01/1065570601.db2.gz URSJWGPUVRVCAZ-NZQKXSOJSA-N 0 0 476.625 4.513 20 0 JJADRN Cc1nnc(-c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3cccc(F)c3)c2)o1 ZINC001437548161 1065570935 /nfs/dbraw/zinc/57/09/35/1065570935.db2.gz JNMMIRCWHCPYFR-FGZHOGPDSA-N 0 0 480.540 4.707 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)Nc2cccc(OCc3ccc(C)cc3)c2)cs1)C(N)=O ZINC001360575280 1065571276 /nfs/dbraw/zinc/57/12/76/1065571276.db2.gz FWNYXZDNJBRQFF-HXUWFJFHSA-N 0 0 455.605 4.568 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360575558 1065571400 /nfs/dbraw/zinc/57/14/00/1065571400.db2.gz WHBATWWTENPWNP-NIYFSFCBSA-N 0 0 467.589 4.512 20 0 JJADRN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001437548890 1065571479 /nfs/dbraw/zinc/57/14/79/1065571479.db2.gz BYLKFBKFQHRKPZ-CYFREDJKSA-N 0 0 455.396 4.816 20 0 JJADRN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001437548893 1065571540 /nfs/dbraw/zinc/57/15/40/1065571540.db2.gz BYLKFBKFQHRKPZ-DVECYGJZSA-N 0 0 455.396 4.816 20 0 JJADRN O=C(OCCCn1nc2ccccn2c1=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC001360576683 1065571832 /nfs/dbraw/zinc/57/18/32/1065571832.db2.gz KRHGXQSFAGHEDB-NRFANRHFSA-N 0 0 453.951 4.616 20 0 JJADRN C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(I)c(Br)c2)[C@H](C)C1 ZINC001360577008 1065571927 /nfs/dbraw/zinc/57/19/27/1065571927.db2.gz QQSUITNVYLNUKT-UEKVPHQBSA-N 0 0 451.142 4.964 20 0 JJADRN CCOc1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1Cl ZINC001437550788 1065571973 /nfs/dbraw/zinc/57/19/73/1065571973.db2.gz NGWSDMXSSNZRIY-UYAOXDASSA-N 0 0 477.964 4.796 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cnn1CC(C)C ZINC001437551532 1065572017 /nfs/dbraw/zinc/57/20/17/1065572017.db2.gz QZSYSPJOGQLRHU-IFMALSPDSA-N 0 0 458.578 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001437551691 1065572042 /nfs/dbraw/zinc/57/20/42/1065572042.db2.gz SMMZXNOSJUHCDH-ZJSXRUAMSA-N 0 0 476.552 4.806 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)cnc21 ZINC001437551205 1065572150 /nfs/dbraw/zinc/57/21/50/1065572150.db2.gz PBBVJOYYZRGNPI-DHIUTWEWSA-N 0 0 477.609 4.610 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)N(C)c1ccccc1 ZINC001360578107 1065573500 /nfs/dbraw/zinc/57/35/00/1065573500.db2.gz FXJYBYACUYJBOK-GGAORHGYSA-N 0 0 480.701 4.667 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC001437554299 1065573595 /nfs/dbraw/zinc/57/35/95/1065573595.db2.gz DMKAGWLFIGGITE-DQEYMECFSA-N 0 0 479.621 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC001437554795 1065573741 /nfs/dbraw/zinc/57/37/41/1065573741.db2.gz XXLMWKBWECWWGL-DHIUTWEWSA-N 0 0 463.578 4.558 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360578590 1065573977 /nfs/dbraw/zinc/57/39/77/1065573977.db2.gz KOEDXRNGYAFVCZ-QGZVFWFLSA-N 0 0 485.982 4.816 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(C(C)=O)cs2)cc1 ZINC001437555572 1065574109 /nfs/dbraw/zinc/57/41/09/1065574109.db2.gz IEYFVGVVGQSKMK-SFTDATJTSA-N 0 0 472.607 4.872 20 0 JJADRN C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CC(F)(F)F)c1nc(-c2ccccc2)no1 ZINC001360578749 1065574568 /nfs/dbraw/zinc/57/45/68/1065574568.db2.gz LNABVUAQBRLVTR-AWEZNQCLSA-N 0 0 462.501 4.783 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CCCC1 ZINC001437556335 1065574723 /nfs/dbraw/zinc/57/47/23/1065574723.db2.gz BEFQNUNRHFUIET-NHCUHLMSSA-N 0 0 476.589 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2ccccc2OC(F)F)C1 ZINC001437558001 1065575305 /nfs/dbraw/zinc/57/53/05/1065575305.db2.gz KZCWNPUPKJHZDC-WOJBJXKFSA-N 0 0 478.511 4.879 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)Oc1ccccc1F ZINC001360579244 1065575720 /nfs/dbraw/zinc/57/57/20/1065575720.db2.gz RBXUPZVENXACBC-INIZCTEOSA-N 0 0 470.511 4.511 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H](C)Cc2ccccc2)cc1 ZINC001437558461 1065575674 /nfs/dbraw/zinc/57/56/74/1065575674.db2.gz OUVMMRKYUIHZRK-YGOYIFOWSA-N 0 0 452.595 4.783 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC001437559067 1065576153 /nfs/dbraw/zinc/57/61/53/1065576153.db2.gz QCDIZMZXSCYOSW-VSDWSMLSSA-N 0 0 472.557 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)/C=C/COc2ccccc2)C1 ZINC001437559118 1065576181 /nfs/dbraw/zinc/57/61/81/1065576181.db2.gz PLYDPFYISFIODI-WRMYTBDKSA-N 0 0 454.542 4.670 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360579663 1065576333 /nfs/dbraw/zinc/57/63/33/1065576333.db2.gz VQLGYZYSJBPUIW-UNMCSNQZSA-N 0 0 483.657 4.924 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001360579691 1065576351 /nfs/dbraw/zinc/57/63/51/1065576351.db2.gz WIMLWDCBIJZZAP-LJQANCHMSA-N 0 0 487.620 4.675 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCc2ccccc2C)cc1F ZINC001437559126 1065576258 /nfs/dbraw/zinc/57/62/58/1065576258.db2.gz PRHCNMPCHLYOAZ-GMAHTHKFSA-N 0 0 470.585 4.985 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2CCc3ccccc3O2)cc1 ZINC001437559094 1065576280 /nfs/dbraw/zinc/57/62/80/1065576280.db2.gz QJRUXLUMAVUVBW-LSQMVHIFSA-N 0 0 480.605 4.688 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H](C)Cc2ccccc2)cc1F ZINC001437559172 1065576326 /nfs/dbraw/zinc/57/63/26/1065576326.db2.gz QFAVXKSXNDMFOK-HARLFGEKSA-N 0 0 470.585 4.922 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(CF)cc2)cc1F ZINC001437559957 1065576658 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CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001545907804 1065579711 /nfs/dbraw/zinc/57/97/11/1065579711.db2.gz RMHDOQQMEZNFGR-UGKGYDQZSA-N 0 0 481.689 4.686 20 0 JJADRN Cc1cc(I)cc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC001360581718 1065579657 /nfs/dbraw/zinc/57/96/57/1065579657.db2.gz XPHVVWJCGJYAHZ-OAHLLOKOSA-N 0 0 452.336 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1CCc1ccc(Br)cc1 ZINC001545907820 1065580705 /nfs/dbraw/zinc/58/07/05/1065580705.db2.gz RVPYUXYNIIBUPP-UHFFFAOYSA-N 0 0 476.463 4.972 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC(C)(C)C1)Oc1ccccc1F ZINC001360583374 1065580697 /nfs/dbraw/zinc/58/06/97/1065580697.db2.gz CBHBEWZBUYINNN-QGZVFWFLSA-N 0 0 471.602 4.503 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)OC1CCCC1)Sc1ccccc1 ZINC001360583599 1065581346 /nfs/dbraw/zinc/58/13/46/1065581346.db2.gz GULMVNKBZNJVAC-KRWDZBQOSA-N 0 0 471.652 4.761 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC001437585465 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C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001360668645 1065730960 /nfs/dbraw/zinc/73/09/60/1065730960.db2.gz NVDQSQBBKMOXEH-WIYYLYMNSA-N 0 0 452.551 4.669 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001438556070 1065731141 /nfs/dbraw/zinc/73/11/41/1065731141.db2.gz VISAQUOFNWNKQT-FFBYCIDVSA-N 0 0 456.945 4.553 20 0 JJADRN COc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCC2)c(I)c1 ZINC001438561181 1065731156 /nfs/dbraw/zinc/73/11/56/1065731156.db2.gz XIGVJHYHIGNJJC-UHFFFAOYSA-N 0 0 455.723 4.805 20 0 JJADRN Cc1ccc([C@@H](NC(=O)Cc2cc(F)c(C)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360672950 1065731485 /nfs/dbraw/zinc/73/14/85/1065731485.db2.gz ANDCQSHZKLKVJF-VWLOTQADSA-N 0 0 457.542 4.742 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001360673101 1065731600 /nfs/dbraw/zinc/73/16/00/1065731600.db2.gz DIGWRNJAWYUOCO-QHCPKHFHSA-N 0 0 457.979 4.834 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(Cl)cccc1Br ZINC001360673398 1065731960 /nfs/dbraw/zinc/73/19/60/1065731960.db2.gz JVANJVIWDFMOJV-DYVFJYSZSA-N 0 0 459.812 4.845 20 0 JJADRN CC[C@H](C)n1nc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1C ZINC001360673635 1065732020 /nfs/dbraw/zinc/73/20/20/1065732020.db2.gz OBEMOJVMALPQOF-MHECFPHRSA-N 0 0 453.608 4.702 20 0 JJADRN CCN(C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1)C1CCC1 ZINC001360673869 1065732041 /nfs/dbraw/zinc/73/20/41/1065732041.db2.gz BFTXZRWVJQEZPA-UHFFFAOYSA-N 0 0 450.608 4.956 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001438568724 1065732317 /nfs/dbraw/zinc/73/23/17/1065732317.db2.gz ZQRQYTQAHWUNBT-KRWDZBQOSA-N 0 0 458.555 4.633 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001360678742 1065734002 /nfs/dbraw/zinc/73/40/02/1065734002.db2.gz UQICNNIXGZRYJS-NSOVKSMOSA-N 0 0 458.602 4.613 20 0 JJADRN CN1Cc2ccccc2[C@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581003 1065734255 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JJADRN COCCOc1cc(OC)ccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001360682468 1065735471 /nfs/dbraw/zinc/73/54/71/1065735471.db2.gz UGUIUHRJWYMWDS-UHFFFAOYSA-N 0 0 454.910 4.878 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)c1 ZINC001360682489 1065735481 /nfs/dbraw/zinc/73/54/81/1065735481.db2.gz UWRGEFRURYWQMI-DVECYGJZSA-N 0 0 457.574 4.803 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCC[C@H](OC3CCC3)CC2)C1 ZINC001438599593 1065735374 /nfs/dbraw/zinc/73/53/74/1065735374.db2.gz JSQFFMMEVHPYQK-HKUYNNGSSA-N 0 0 453.410 4.796 20 0 JJADRN CCOC(=O)c1ccc(I)c(NC(=O)[C@H](CC)Cc2ccccc2)c1 ZINC001438598443 1065735578 /nfs/dbraw/zinc/73/55/78/1065735578.db2.gz FIFKRBYTZRJRQJ-OAHLLOKOSA-N 0 0 451.304 4.675 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001545917175 1065735604 /nfs/dbraw/zinc/73/56/04/1065735604.db2.gz YWUZTVZCOATJHA-RTWAWAEBSA-N 0 0 494.709 4.945 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC001438604086 1065735894 /nfs/dbraw/zinc/73/58/94/1065735894.db2.gz VZGRQDNASWTSNC-IAQYHMDHSA-N 0 0 451.224 4.527 20 0 JJADRN COc1ccc(OCCCC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 ZINC001360686906 1065736224 /nfs/dbraw/zinc/73/62/24/1065736224.db2.gz NJYBCDKLLTWYIX-UHFFFAOYSA-N 0 0 458.356 4.695 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CCc2ccccc21 ZINC001360687175 1065736327 /nfs/dbraw/zinc/73/63/27/1065736327.db2.gz XRRFBDYHHVFCAV-HSZRJFAPSA-N 0 0 459.420 4.980 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1cc(-c2ccncc2)nn1C ZINC001360687747 1065737143 /nfs/dbraw/zinc/73/71/43/1065737143.db2.gz WIPBYJPSIMZYNK-UHFFFAOYSA-N 0 0 455.349 4.773 20 0 JJADRN O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001438619066 1065737167 /nfs/dbraw/zinc/73/71/67/1065737167.db2.gz ODMGVNIIIFDIBB-UEVCKROQSA-N 0 0 455.576 4.780 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC001360691952 1065737453 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PDQZSDLNMCUCAO-SFHVURJKSA-N 0 0 456.296 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC001545917452 1065738623 /nfs/dbraw/zinc/73/86/23/1065738623.db2.gz ITDMKJHXSCQTTD-HNNXBMFYSA-N 0 0 459.534 4.825 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc2c(c(Br)c1)OCO2)[C@@H]1CCO[C@H]1C ZINC001438636688 1065739096 /nfs/dbraw/zinc/73/90/96/1065739096.db2.gz QAOXJYMYALWZPH-YVEFUNNKSA-N 0 0 452.732 4.964 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001438638705 1065739138 /nfs/dbraw/zinc/73/91/38/1065739138.db2.gz UQELSICHXCQZQC-AWEZNQCLSA-N 0 0 456.848 4.738 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Cl)ccc1I)c1cccc(OC)c1OC ZINC001438635930 1065739161 /nfs/dbraw/zinc/73/91/61/1065739161.db2.gz MVUGLOLSCRCSBM-OAHLLOKOSA-N 0 0 459.711 4.843 20 0 JJADRN CC(C)c1nc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)nn1-c1ccccc1F ZINC001360697004 1065739199 /nfs/dbraw/zinc/73/91/99/1065739199.db2.gz XAIOITLXDMZDMT-UHFFFAOYSA-N 0 0 458.419 4.987 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccccn1 ZINC001438653894 1065740198 /nfs/dbraw/zinc/74/01/98/1065740198.db2.gz UPCRCJWGTIKNGO-FOIQADDNSA-N 0 0 451.320 4.720 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)COc1ccc(I)cc1)c1ccccn1 ZINC001438654615 1065740420 /nfs/dbraw/zinc/74/04/20/1065740420.db2.gz XKJAQPWYFFTYCU-INIZCTEOSA-N 0 0 458.299 4.859 20 0 JJADRN COc1ccccc1-c1ccnc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)n1 ZINC001438656646 1065740742 /nfs/dbraw/zinc/74/07/42/1065740742.db2.gz IKMDQYUQILABII-SFHVURJKSA-N 0 0 452.555 4.518 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NCCc3ccc(NC(=O)OC)cc3)s2)cc1 ZINC001360702004 1065740793 /nfs/dbraw/zinc/74/07/93/1065740793.db2.gz RBHBPEMUGNNIOU-UHFFFAOYSA-N 0 0 453.564 4.922 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001438660505 1065740875 /nfs/dbraw/zinc/74/08/75/1065740875.db2.gz WAQCZRPLKSMGHS-SFHVURJKSA-N 0 0 457.785 4.622 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)cn2)cc1 ZINC001360704211 1065741924 /nfs/dbraw/zinc/74/19/24/1065741924.db2.gz SKPMNUAESHWJPQ-UHFFFAOYSA-N 0 0 455.396 4.734 20 0 JJADRN CN(C(=O)c1cccc(Cn2ccnn2)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001360704666 1065742018 /nfs/dbraw/zinc/74/20/18/1065742018.db2.gz YPLOJHOMYROHFD-UHFFFAOYSA-N 0 0 453.424 4.809 20 0 JJADRN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001360703862 1065742102 /nfs/dbraw/zinc/74/21/02/1065742102.db2.gz NFRINTHRNZHMKU-OAQYLSRUSA-N 0 0 454.445 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(F)(F)c1cccc(Br)c1 ZINC001438680587 1065742370 /nfs/dbraw/zinc/74/23/70/1065742370.db2.gz KTQGRHAIJNNYJT-CVEARBPZSA-N 0 0 459.331 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001438676915 1065742393 /nfs/dbraw/zinc/74/23/93/1065742393.db2.gz HIACQDXANPDYCT-CVEARBPZSA-N 0 0 459.331 4.541 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cnn(Cc3ccccc3)c2)n1C ZINC001360709773 1065743257 /nfs/dbraw/zinc/74/32/57/1065743257.db2.gz FDDSDSKIDGKODS-UHFFFAOYSA-N 0 0 450.340 4.655 20 0 JJADRN COC[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(Br)c1 ZINC001438684551 1065743644 /nfs/dbraw/zinc/74/36/44/1065743644.db2.gz MGOQTFWIGOECON-SFHVURJKSA-N 0 0 459.365 4.880 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545917720 1065744547 /nfs/dbraw/zinc/74/45/47/1065744547.db2.gz RTMJWQQOCANAHS-SOUVJXGZSA-N 0 0 461.550 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001438692063 1065744706 /nfs/dbraw/zinc/74/47/06/1065744706.db2.gz HZBYILXVZXZWNK-IOMROCGXSA-N 0 0 458.578 4.896 20 0 JJADRN C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360711965 1065744574 /nfs/dbraw/zinc/74/45/74/1065744574.db2.gz RQRVUEVHGXTDAT-JTSKRJEESA-N 0 0 453.380 4.622 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)C12CCC2 ZINC001360714842 1065745051 /nfs/dbraw/zinc/74/50/51/1065745051.db2.gz CKKGVTYRLJCYBW-KURKYZTESA-N 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COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC001439054805 1065781689 /nfs/dbraw/zinc/78/16/89/1065781689.db2.gz JZICTRXBVBUSHT-REWPJTCUSA-N 0 0 451.485 4.691 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360744470 1065781676 /nfs/dbraw/zinc/78/16/76/1065781676.db2.gz VJHXVKVLUFTEAF-QZTJIDSGSA-N 0 0 480.650 4.643 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC3(C2)CCCCC3)n1CCNC(=O)C(C)(C)C ZINC001360744437 1065781774 /nfs/dbraw/zinc/78/17/74/1065781774.db2.gz VBYOILQUMKYTKG-IBGZPJMESA-N 0 0 471.621 4.880 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cccc(OC(C)(C)C)c2)c1 ZINC001439063748 1065782128 /nfs/dbraw/zinc/78/21/28/1065782128.db2.gz SOUBTWYHBALTDP-JOCHJYFZSA-N 0 0 456.583 4.625 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCn1cc(Cl)cn1 ZINC001360744616 1065782342 /nfs/dbraw/zinc/78/23/42/1065782342.db2.gz XVIILALXPJATPJ-IAGOWNOFSA-N 0 0 460.985 4.980 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)Nc3cnc4ccccc4c3Br)CC2=O)cc1 ZINC001439074324 1065782556 /nfs/dbraw/zinc/78/25/56/1065782556.db2.gz NGAFWXPSLHYFDW-ZDUSSCGKSA-N 0 0 456.365 4.711 20 0 JJADRN O=C(Nc1cnc2ccccc2c1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001439077625 1065782604 /nfs/dbraw/zinc/78/26/04/1065782604.db2.gz XSOTXIDNVXMNES-UHFFFAOYSA-N 0 0 459.365 4.966 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1 ZINC001360744785 1065782691 /nfs/dbraw/zinc/78/26/91/1065782691.db2.gz AMHXTTGSYIQRCQ-YHELAOLJSA-N 0 0 489.611 4.827 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCCC(F)(F)F ZINC001360744693 1065782768 /nfs/dbraw/zinc/78/27/68/1065782768.db2.gz ZKKWEZANLJEBDX-HRAATJIYSA-N 0 0 456.484 4.907 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001360744781 1065782859 /nfs/dbraw/zinc/78/28/59/1065782859.db2.gz ALTNNFUKVCYJPV-KRWDZBQOSA-N 0 0 469.527 4.822 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1[C@@H]1C[C@H]1CF ZINC001360744886 1065783310 /nfs/dbraw/zinc/78/33/10/1065783310.db2.gz CMADWECJWUHABN-LTCOOKNTSA-N 0 0 460.447 4.635 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1[C@@H]1C[C@H]1CF ZINC001360744885 1065783382 /nfs/dbraw/zinc/78/33/82/1065783382.db2.gz CMADWECJWUHABN-LBTBCDHLSA-N 0 0 460.447 4.635 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001439093127 1065784067 /nfs/dbraw/zinc/78/40/67/1065784067.db2.gz JKJYDLIOFNOALC-GBXCKJPGSA-N 0 0 459.974 4.801 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)nc2)c1 ZINC001439092377 1065784307 /nfs/dbraw/zinc/78/43/07/1065784307.db2.gz GWYMLLGBRXFSEA-BWKNWUBXSA-N 0 0 453.539 4.544 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H]1CCCCO1 ZINC001360745361 1065784241 /nfs/dbraw/zinc/78/42/41/1065784241.db2.gz JJQJLGKNQOJYOO-PWIZWCRZSA-N 0 0 486.510 4.674 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1 ZINC001439095741 1065784617 /nfs/dbraw/zinc/78/46/17/1065784617.db2.gz CURUBHMYFGSNEB-UHFFFAOYSA-N 0 0 458.967 4.840 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC001439096579 1065784895 /nfs/dbraw/zinc/78/48/95/1065784895.db2.gz FIGREFIYUCYUEM-GOSISDBHSA-N 0 0 450.560 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001439099352 1065785421 /nfs/dbraw/zinc/78/54/21/1065785421.db2.gz CYKHNXNYJUQHNJ-JXFKEZNVSA-N 0 0 452.542 4.808 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCOCC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360745617 1065785415 /nfs/dbraw/zinc/78/54/15/1065785415.db2.gz NNLJNSNKYCCTGL-MSOLQXFVSA-N 0 0 452.521 5.000 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)c2)c(C)c1 ZINC001439099962 1065785963 /nfs/dbraw/zinc/78/59/63/1065785963.db2.gz USBDKWBDXCCOKA-ATIYNZHBSA-N 0 0 451.567 4.728 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)s2)c1 ZINC001439102998 1065786439 /nfs/dbraw/zinc/78/64/39/1065786439.db2.gz JSMYHFUBJVPXLA-UHFFFAOYSA-N 0 0 459.955 4.601 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cc(Cl)cn2)C1 ZINC001360745903 1065786630 /nfs/dbraw/zinc/78/66/30/1065786630.db2.gz QFJXISKYWFEFHF-MSOLQXFVSA-N 0 0 460.985 4.980 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCN1CCCCC1=O ZINC001360746077 1065787635 /nfs/dbraw/zinc/78/76/35/1065787635.db2.gz SLCKQPDZXIXBJZ-ROUUACIJSA-N 0 0 497.537 4.739 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCOCC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360746196 1065788108 /nfs/dbraw/zinc/78/81/08/1065788108.db2.gz UTBNEVQWXVEKNO-QGZVFWFLSA-N 0 0 473.618 4.781 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCCC(=O)N(C)C ZINC001360746174 1065788146 /nfs/dbraw/zinc/78/81/46/1065788146.db2.gz UIYXISINMPVPJN-RXFWQSSRSA-N 0 0 469.605 4.752 20 0 JJADRN CC(C)c1c(C(=O)NCCN(Cc2ccccc2)c2ccccn2)cnn1-c1ccc(F)cc1 ZINC001439110351 1065788179 /nfs/dbraw/zinc/78/81/79/1065788179.db2.gz PCMJHPBVRTUNMQ-UHFFFAOYSA-N 0 0 457.553 4.966 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOc1ncccc1F ZINC001360746685 1065788461 /nfs/dbraw/zinc/78/84/61/1065788461.db2.gz XWQBPPXYKNIJGM-UTKZUKDTSA-N 0 0 457.525 4.795 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@]1(C)CCCO1 ZINC001360746716 1065788558 /nfs/dbraw/zinc/78/85/58/1065788558.db2.gz YGOYRUHCAIKHAN-XWFZLUIHSA-N 0 0 486.510 4.674 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001360746622 1065788616 /nfs/dbraw/zinc/78/86/16/1065788616.db2.gz FHSPIDGZLJTPEZ-QHCPKHFHSA-N 0 0 450.901 4.839 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CCO[C@H]3C)cc2C1=O ZINC001439116686 1065789076 /nfs/dbraw/zinc/78/90/76/1065789076.db2.gz LKTKLMMLWVLAEM-AOMKIAJQSA-N 0 0 454.954 4.869 20 0 JJADRN CCCc1c(C(=O)N2CCc3ccc(NC(C)=O)cc3C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001439115374 1065789112 /nfs/dbraw/zinc/78/91/12/1065789112.db2.gz AXNMKMDIPADVRE-UHFFFAOYSA-N 0 0 459.594 4.674 20 0 JJADRN CC(C)COc1ccc(CC(=O)NC2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001439115627 1065789200 /nfs/dbraw/zinc/78/92/00/1065789200.db2.gz DRZHAMXNKRBGAU-UHFFFAOYSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1ccc(N(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)[C@H]2CCO[C@H]2C)cc1Cl ZINC001439115782 1065789231 /nfs/dbraw/zinc/78/92/31/1065789231.db2.gz HYMWIXUMSVGAJK-SBUREZEXSA-N 0 0 462.011 4.512 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC001439119921 1065790033 /nfs/dbraw/zinc/79/00/33/1065790033.db2.gz XOGNQBZEAFTWOT-PXNSSMCTSA-N 0 0 450.501 4.803 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CCO[C@H]3C)c2)o1 ZINC001439119149 1065790196 /nfs/dbraw/zinc/79/01/96/1065790196.db2.gz YWUNSPUXJIFURB-KKSFZXQISA-N 0 0 455.942 4.712 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1CC=CCC1 ZINC001360748687 1065790257 /nfs/dbraw/zinc/79/02/57/1065790257.db2.gz DQOWTWXSWSIPQE-PMACEKPBSA-N 0 0 484.620 4.544 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1CC=CCC1 ZINC001360748688 1065790362 /nfs/dbraw/zinc/79/03/62/1065790362.db2.gz DQOWTWXSWSIPQE-UXHICEINSA-N 0 0 484.620 4.544 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1CC=CCC1 ZINC001360748689 1065790525 /nfs/dbraw/zinc/79/05/25/1065790525.db2.gz DQOWTWXSWSIPQE-VQTJNVASSA-N 0 0 484.620 4.544 20 0 JJADRN C[C@H](Oc1ccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001439128303 1065790630 /nfs/dbraw/zinc/79/06/30/1065790630.db2.gz LPZBOKPAYOYHDT-AFMDSPMNSA-N 0 0 454.567 4.582 20 0 JJADRN CC[C@@H](C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C(F)(F)F)c1 ZINC001439131828 1065791051 /nfs/dbraw/zinc/79/10/51/1065791051.db2.gz DZRJXMCXZZXROQ-CGDJFSCRSA-N 0 0 455.517 4.985 20 0 JJADRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@]1(C(F)(F)F)CCC[C@H](C(C)(C)C)CC1)C2=O ZINC001439133670 1065791074 /nfs/dbraw/zinc/79/10/74/1065791074.db2.gz VGPKLMSGZCLZFV-AERDPVEMSA-N 0 0 459.553 4.531 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Br)cc1Cl)O2 ZINC001439134029 1065791554 /nfs/dbraw/zinc/79/15/54/1065791554.db2.gz IPEFGBFZIMNJSF-JGOZLAPISA-N 0 0 458.780 4.502 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001439135728 1065791996 /nfs/dbraw/zinc/79/19/96/1065791996.db2.gz QVEXDOLJVLUWDD-ACJLOTCBSA-N 0 0 452.502 4.971 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)cc1-n1cncn1)c1cc(Cl)cc(Cl)c1F ZINC001439157790 1065793359 /nfs/dbraw/zinc/79/33/59/1065793359.db2.gz VHBBADLBNCIMOM-VIFPVBQESA-N 0 0 458.118 4.967 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)c3cc(Br)nn3-c3ccc(C)cc3)co2)cc1 ZINC001439166211 1065794047 /nfs/dbraw/zinc/79/40/47/1065794047.db2.gz CGIJAJYXTHNVKS-UHFFFAOYSA-N 0 0 451.324 4.837 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001360750230 1065794187 /nfs/dbraw/zinc/79/41/87/1065794187.db2.gz UWNPAXIWFWDAQP-LJQANCHMSA-N 0 0 488.652 4.870 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001360750291 1065794700 /nfs/dbraw/zinc/79/47/00/1065794700.db2.gz VQCZJZKHJBTSDC-OFNKIYASSA-N 0 0 473.637 4.540 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CCOC3(CCC3)C2)cc(I)cc1C(F)(F)F ZINC001439179396 1065794927 /nfs/dbraw/zinc/79/49/27/1065794927.db2.gz BNSNIJOEXFCQIS-LLVKDONJSA-N 0 0 453.242 4.906 20 0 JJADRN COc1cc(C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)cc(OC)c1OCc1ccccc1 ZINC001439179536 1065794939 /nfs/dbraw/zinc/79/49/39/1065794939.db2.gz OHBLPDXULHFPRF-YLJYHZDGSA-N 0 0 453.457 4.513 20 0 JJADRN Cc1c(NC(=O)Cn2ncc3ccccc32)cc(I)cc1C(F)(F)F ZINC001439179944 1065794974 /nfs/dbraw/zinc/79/49/74/1065794974.db2.gz KIKIEYYBNDJWGV-UHFFFAOYSA-N 0 0 459.209 4.607 20 0 JJADRN Cc1c(NC(=O)c2cc(C(F)F)ncn2)cc(I)cc1C(F)(F)F ZINC001439179385 1065794994 /nfs/dbraw/zinc/79/49/94/1065794994.db2.gz BBZOMTFGNNCEAM-UHFFFAOYSA-N 0 0 457.140 4.598 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc(OC)c1OCc1ccccc1 ZINC001439179533 1065795025 /nfs/dbraw/zinc/79/50/25/1065795025.db2.gz OHBLPDXULHFPRF-FXAWDEMLSA-N 0 0 453.457 4.513 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001439181482 1065795558 /nfs/dbraw/zinc/79/55/58/1065795558.db2.gz HMJUMYHFKHSVEG-HVCNVCAESA-N 0 0 451.611 4.602 20 0 JJADRN COc1cc(Br)ccc1C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001439180785 1065795632 /nfs/dbraw/zinc/79/56/32/1065795632.db2.gz AUNJAMQCYPCKRZ-VDGAXYAQSA-N 0 0 458.352 4.584 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCc1ccc(Cl)s1 ZINC001360750655 1065795664 /nfs/dbraw/zinc/79/56/64/1065795664.db2.gz OYMSSBHCPUZZCL-CLCXKQKWSA-N 0 0 464.994 4.722 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F ZINC001360750739 1065795761 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COC(=O)[C@@H](NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1)c1cccc2ccccc21 ZINC001439295013 1065812366 /nfs/dbraw/zinc/81/23/66/1065812366.db2.gz OBFWAUKIUWWRMA-QFIPXVFZSA-N 0 0 450.878 4.801 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CCCSC1 ZINC001360756082 1065812889 /nfs/dbraw/zinc/81/28/89/1065812889.db2.gz OEPWQBLWUPMGFU-QZTJIDSGSA-N 0 0 473.046 4.684 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001360756160 1065812984 /nfs/dbraw/zinc/81/29/84/1065812984.db2.gz PLFFILKWWTWQFT-YQVWRLOYSA-N 0 0 458.969 4.679 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCCOC1 ZINC001360756069 1065813038 /nfs/dbraw/zinc/81/30/38/1065813038.db2.gz NZPMWTIFDMJKSS-MSOLQXFVSA-N 0 0 451.011 4.749 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1F ZINC001439308910 1065813651 /nfs/dbraw/zinc/81/36/51/1065813651.db2.gz DBQAYCWJWXJTOR-YQVWRLOYSA-N 0 0 452.295 4.642 20 0 JJADRN O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001439317233 1065814238 /nfs/dbraw/zinc/81/42/38/1065814238.db2.gz AYWBVUUPGMSNMH-RBBKRZOGSA-N 0 0 456.384 4.566 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC001439323376 1065814643 /nfs/dbraw/zinc/81/46/43/1065814643.db2.gz JWTZPIHRKNAWEW-FXAWDEMLSA-N 0 0 453.316 4.782 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001360756518 1065815843 /nfs/dbraw/zinc/81/58/43/1065815843.db2.gz VXJTVHMRZYBPQD-QRJOEMBSSA-N 0 0 477.049 4.874 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001360756521 1065815982 /nfs/dbraw/zinc/81/59/82/1065815982.db2.gz VZFFPVGBMYDURJ-IBGZPJMESA-N 0 0 492.064 4.725 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360756517 1065816109 /nfs/dbraw/zinc/81/61/09/1065816109.db2.gz VXJTVHMRZYBPQD-PZGSVQSZSA-N 0 0 477.049 4.874 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001360756664 1065816600 /nfs/dbraw/zinc/81/66/00/1065816600.db2.gz XNWFAGWNTWJBTA-WBVHZDCISA-N 0 0 481.975 4.599 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC1CCCC1 ZINC001360756638 1065816747 /nfs/dbraw/zinc/81/67/47/1065816747.db2.gz XHUUBSRZWNTBOZ-QZTJIDSGSA-N 0 0 460.022 4.709 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2nccs2)n1C[C@@H]1CCC=CO1 ZINC001360756670 1065817174 /nfs/dbraw/zinc/81/71/74/1065817174.db2.gz XSUZYBQBNWJANO-LPHOPBHVSA-N 0 0 460.003 4.900 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2nccs2)n1C[C@H]1CCC=CO1 ZINC001360756672 1065817327 /nfs/dbraw/zinc/81/73/27/1065817327.db2.gz XSUZYBQBNWJANO-VQIMIIECSA-N 0 0 460.003 4.900 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(N)=O ZINC001439343692 1065817432 /nfs/dbraw/zinc/81/74/32/1065817432.db2.gz AEYLPIDMUVMUMT-GFCCVEGCSA-N 0 0 451.976 4.609 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360756691 1065817392 /nfs/dbraw/zinc/81/73/92/1065817392.db2.gz YBSPMYNVVYRCCT-KBXCAEBGSA-N 0 0 497.949 4.685 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC001439351882 1065818581 /nfs/dbraw/zinc/81/85/81/1065818581.db2.gz TWGSOIQGCRXPDP-IBGZPJMESA-N 0 0 459.587 4.504 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)CCCc2ccc(Br)s2)c1 ZINC001439352749 1065818616 /nfs/dbraw/zinc/81/86/16/1065818616.db2.gz YXEDMYSSAUASFE-UHFFFAOYSA-N 0 0 454.390 4.892 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001360757474 1065818721 /nfs/dbraw/zinc/81/87/21/1065818721.db2.gz BXWOKHPBWVUWOR-QRJOEMBSSA-N 0 0 477.049 4.874 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC001439354720 1065819455 /nfs/dbraw/zinc/81/94/55/1065819455.db2.gz MRMNPGUQHLHRMY-VGOFRKELSA-N 0 0 464.541 4.664 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCc1ccn(C)n1 ZINC001360757637 1065819977 /nfs/dbraw/zinc/81/99/77/1065819977.db2.gz FLBGTDVIUBELEJ-HZPDHXFCSA-N 0 0 464.948 4.529 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1ccn(C)n1 ZINC001360757635 1065820132 /nfs/dbraw/zinc/82/01/32/1065820132.db2.gz FLBGTDVIUBELEJ-CVEARBPZSA-N 0 0 464.948 4.529 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC001439359934 1065820121 /nfs/dbraw/zinc/82/01/21/1065820121.db2.gz WIHPHPOCHKWDPI-UHFFFAOYSA-N 0 0 458.518 4.690 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC001439363063 1065820914 /nfs/dbraw/zinc/82/09/14/1065820914.db2.gz VUWCCCWGGLTRJM-QFIPXVFZSA-N 0 0 450.336 4.770 20 0 JJADRN C[C@@H](NC(=O)c1cncc(I)c1)c1cccc(SC(F)(F)F)c1 ZINC001439374500 1065821449 /nfs/dbraw/zinc/82/14/49/1065821449.db2.gz SDVAJFINLZBMNF-SECBINFHSA-N 0 0 452.239 4.789 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H]1CCCSC1 ZINC001360758034 1065821431 /nfs/dbraw/zinc/82/14/31/1065821431.db2.gz LRHCJQFSYUWVSV-IEBWSBKVSA-N 0 0 492.089 4.697 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001439385712 1065822129 /nfs/dbraw/zinc/82/21/29/1065822129.db2.gz BMSFZKFZQRXTBS-IEBWSBKVSA-N 0 0 461.603 4.585 20 0 JJADRN Cc1cc(SCC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(C)cc1Br ZINC001439384534 1065822145 /nfs/dbraw/zinc/82/21/45/1065822145.db2.gz GXQMAIXPUUFHJS-HZPDHXFCSA-N 0 0 471.461 4.777 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001360758060 1065822349 /nfs/dbraw/zinc/82/23/49/1065822349.db2.gz MDAAAYDLVCJNDE-XDHUDOTRSA-N 0 0 495.089 4.723 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001439389061 1065822705 /nfs/dbraw/zinc/82/27/05/1065822705.db2.gz LDUVOMSCVIHYJI-VQIMIIECSA-N 0 0 460.521 4.777 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ncnn1C(C)(C)C ZINC001360758177 1065823488 /nfs/dbraw/zinc/82/34/88/1065823488.db2.gz OEGGPKKIYHFHSO-CVEARBPZSA-N 0 0 493.990 4.948 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360758251 1065823542 /nfs/dbraw/zinc/82/35/42/1065823542.db2.gz PLKWDAKBFUAZDD-PJCSWEQPSA-N 0 0 497.130 4.952 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1CSCCS1 ZINC001360758236 1065823558 /nfs/dbraw/zinc/82/35/58/1065823558.db2.gz PFRKPKBCWKUUHL-LAUBAEHRSA-N 0 0 497.130 4.909 20 0 JJADRN COC(=O)c1c(C)ccc2c1N(C(=O)c1cnn(-c3cccc(C(F)(F)F)c3)c1C)CCC2 ZINC001439412897 1065824893 /nfs/dbraw/zinc/82/48/93/1065824893.db2.gz IYHJPKHSLZFHTK-UHFFFAOYSA-N 0 0 457.452 4.888 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@@H]3c3ncc(Br)cn3)cc2F)n1 ZINC001439401689 1065824948 /nfs/dbraw/zinc/82/49/48/1065824948.db2.gz PGIKXSFHGRGLEB-LJQANCHMSA-N 0 0 458.335 4.548 20 0 JJADRN COC(=O)c1c(C)ccc2c1N(C(=O)c1ccc(Cn3ccc(C(F)(F)F)n3)cc1)CCC2 ZINC001439411972 1065824975 /nfs/dbraw/zinc/82/49/75/1065824975.db2.gz RKOFZSNASKMYIP-UHFFFAOYSA-N 0 0 457.452 4.638 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 ZINC001439417709 1065824993 /nfs/dbraw/zinc/82/49/93/1065824993.db2.gz FFCPCDGNABLSRT-QJWGWKRISA-N 0 0 452.617 4.790 20 0 JJADRN CC[C@@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)c1cc(F)ccc1OC ZINC001439410364 1065825080 /nfs/dbraw/zinc/82/50/80/1065825080.db2.gz UJUSQOGMXNDBHP-JOCHJYFZSA-N 0 0 456.558 4.724 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 ZINC001439419201 1065825732 /nfs/dbraw/zinc/82/57/32/1065825732.db2.gz IERXFCBKOASOBD-LJAQVGFWSA-N 0 0 455.319 4.866 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1=CCCCC1 ZINC001360758738 1065825616 /nfs/dbraw/zinc/82/56/16/1065825616.db2.gz UYWUOFAYWZTHAY-QGZVFWFLSA-N 0 0 479.046 4.585 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC001360758749 1065825925 /nfs/dbraw/zinc/82/59/25/1065825925.db2.gz GEYBICRZMCUGQI-SFHVURJKSA-N 0 0 457.290 4.920 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N=[S@](C)(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 ZINC001439423883 1065826348 /nfs/dbraw/zinc/82/63/48/1065826348.db2.gz VBTNCAWKOZDCMJ-RKXCMPKHSA-N 0 0 458.609 4.700 20 0 JJADRN C[S@@](=O)(=NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccccc1 ZINC001439431576 1065826960 /nfs/dbraw/zinc/82/69/60/1065826960.db2.gz XCBKVSIPVOIAAT-PMERELPUSA-N 0 0 455.376 4.866 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001439432638 1065827126 /nfs/dbraw/zinc/82/71/26/1065827126.db2.gz WBCNDSXUPDSOGO-ZDUSSCGKSA-N 0 0 459.369 4.512 20 0 JJADRN Cc1c(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)nnn1-c1ccc(C)cc1 ZINC001360758989 1065827197 /nfs/dbraw/zinc/82/71/97/1065827197.db2.gz KAOLWLGNVJETRT-UHFFFAOYSA-N 0 0 453.262 4.856 20 0 JJADRN CN(C(=O)C1CC1)c1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1 ZINC001439433471 1065827778 /nfs/dbraw/zinc/82/77/78/1065827778.db2.gz DUGCYQPOBGFHQQ-UHFFFAOYSA-N 0 0 458.287 4.868 20 0 JJADRN Cc1c(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cnn1-c1ccc(F)cc1F ZINC001439438973 1065829076 /nfs/dbraw/zinc/82/90/76/1065829076.db2.gz SDWSEYQMHVEPSJ-MHZLTWQESA-N 0 0 454.296 4.519 20 0 JJADRN C[S@@](=O)(=NC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(Br)c1 ZINC001439438992 1065829113 /nfs/dbraw/zinc/82/91/13/1065829113.db2.gz SKUWVNUNMYWBNI-QHCPKHFHSA-N 0 0 457.187 4.927 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001360759756 1065829346 /nfs/dbraw/zinc/82/93/46/1065829346.db2.gz AZKHDCNRVWNZKN-IRXDYDNUSA-N 0 0 494.036 4.600 20 0 JJADRN Cc1cc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)nn1-c1ccc(Cl)cc1 ZINC001439443056 1065829851 /nfs/dbraw/zinc/82/98/51/1065829851.db2.gz XVEWDZAXSSQPKT-SANMLTNESA-N 0 0 452.761 4.894 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC(F)(F)F ZINC001360759835 1065830045 /nfs/dbraw/zinc/83/00/45/1065830045.db2.gz CKUCHQSWLNHMDL-CQSZACIVSA-N 0 0 489.926 4.691 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccoc1 ZINC001360760037 1065830771 /nfs/dbraw/zinc/83/07/71/1065830771.db2.gz GOSWZKANZAYULI-HOTGVXAUSA-N 0 0 483.922 4.786 20 0 JJADRN O=C(OCc1ccccc1I)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001439456674 1065831010 /nfs/dbraw/zinc/83/10/10/1065831010.db2.gz HMXGVLXARRKTPR-UHFFFAOYSA-N 0 0 450.663 4.759 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)Nc1ccc2cc(Br)cnc2n1 ZINC001439459502 1065831098 /nfs/dbraw/zinc/83/10/98/1065831098.db2.gz TZKPVJFBCKMGSL-UHFFFAOYSA-N 0 0 455.537 4.989 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001360760444 1065832476 /nfs/dbraw/zinc/83/24/76/1065832476.db2.gz MGYJREKMUHVKHN-IBGZPJMESA-N 0 0 486.064 4.814 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(c3cccs3)CC2)n1CCCCCO ZINC001360760548 1065832506 /nfs/dbraw/zinc/83/25/06/1065832506.db2.gz OUXWWLVYGPPPSX-GOSISDBHSA-N 0 0 476.046 4.622 20 0 JJADRN CCOc1cc(C(=O)N2CCCn3nc(C)c(Cl)c32)ccc1OCCOc1ccccc1 ZINC001439485221 1065833049 /nfs/dbraw/zinc/83/30/49/1065833049.db2.gz JZKCPTCBQVWYON-UHFFFAOYSA-N 0 0 455.942 4.752 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)cc1 ZINC001439488037 1065833224 /nfs/dbraw/zinc/83/32/24/1065833224.db2.gz UTJWAOGGTSSBMY-UHFFFAOYSA-N 0 0 450.363 4.917 20 0 JJADRN COC(=O)c1cc(F)c(COC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c(F)c1 ZINC001439474845 1065833444 /nfs/dbraw/zinc/83/34/44/1065833444.db2.gz QTPLXMBRAQDMAA-UHFFFAOYSA-N 0 0 457.404 4.808 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360760681 1065834048 /nfs/dbraw/zinc/83/40/48/1065834048.db2.gz REDWSBQUOIPKCA-PXNSSMCTSA-N 0 0 463.022 4.628 20 0 JJADRN O=C(CCc1cccc(Br)c1)Nc1cc(Br)ccc1C1=NCCO1 ZINC001439491490 1065833890 /nfs/dbraw/zinc/83/38/90/1065833890.db2.gz IVTQXRZTAVNRKH-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CCCn1c(C)c(C(=O)Nc2nc(C(F)(F)F)c(C(=O)OCC)o2)c2cc(OC)ccc21 ZINC001439490301 1065833965 /nfs/dbraw/zinc/83/39/65/1065833965.db2.gz ZMDBMVZBJRQKPZ-UHFFFAOYSA-N 0 0 453.417 4.804 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)Cc2nsc3ccccc23)C1 ZINC001439495291 1065834120 /nfs/dbraw/zinc/83/41/20/1065834120.db2.gz BTTSQJWLHAQIML-HNNXBMFYSA-N 0 0 455.555 4.708 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360760789 1065834682 /nfs/dbraw/zinc/83/46/82/1065834682.db2.gz SQCCPQYUTODNAA-XYJFISCASA-N 0 0 489.945 4.894 20 0 JJADRN CO[C@@]1(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CCSC1 ZINC001439497610 1065834770 /nfs/dbraw/zinc/83/47/70/1065834770.db2.gz GAAKTGFSXFMPSO-OAQYLSRUSA-N 0 0 454.423 4.700 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)Nc1cc(Br)ccc1C1=NCCO1 ZINC001439496287 1065834824 /nfs/dbraw/zinc/83/48/24/1065834824.db2.gz XMANWPRYHHDNFT-UHFFFAOYSA-N 0 0 458.139 4.940 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001439495373 1065834903 /nfs/dbraw/zinc/83/49/03/1065834903.db2.gz BYMOJJHDPNLYQY-SXSPYAJSSA-N 0 0 468.569 4.676 20 0 JJADRN CN(C)c1ccc(CCC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)cc1 ZINC001439500830 1065835215 /nfs/dbraw/zinc/83/52/15/1065835215.db2.gz KZESUDQXTVNBLM-IBGZPJMESA-N 0 0 455.574 4.555 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(F)cn1 ZINC001360760957 1065835412 /nfs/dbraw/zinc/83/54/12/1065835412.db2.gz VTGWPHIXQDKJRF-IERDGZPVSA-N 0 0 473.980 4.905 20 0 JJADRN O=C(Nc1ccc(Cl)c(NC(=O)C2CC2)c1)c1cc(F)ccc1I ZINC001439500211 1065835397 /nfs/dbraw/zinc/83/53/97/1065835397.db2.gz KAQIZIGTLQGHOW-UHFFFAOYSA-N 0 0 458.658 4.685 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCSCCCO ZINC001360760994 1065835707 /nfs/dbraw/zinc/83/57/07/1065835707.db2.gz WODPSGDIWGIGJM-MHECFPHRSA-N 0 0 497.105 4.829 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1coc(-c2cccnc2)n1 ZINC001439505701 1065836304 /nfs/dbraw/zinc/83/63/04/1065836304.db2.gz HUSBGAAKKSMYSS-UHFFFAOYSA-N 0 0 459.165 4.612 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001360761298 1065836918 /nfs/dbraw/zinc/83/69/18/1065836918.db2.gz DDXMCZOPOJMCEL-FGZHOGPDSA-N 0 0 457.412 4.858 20 0 JJADRN C[C@H](C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC001439506604 1065836958 /nfs/dbraw/zinc/83/69/58/1065836958.db2.gz VFNZWANGPKUIOV-IBGZPJMESA-N 0 0 450.560 4.590 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(C(F)(F)F)c(I)c1)c1ccc(F)cc1 ZINC001439513058 1065837516 /nfs/dbraw/zinc/83/75/16/1065837516.db2.gz WAQDPDXDNJNOIW-AWEZNQCLSA-N 0 0 453.173 4.775 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCN1CCOC[C@H]1C ZINC001360762301 1065837568 /nfs/dbraw/zinc/83/75/68/1065837568.db2.gz CURLOMIVIBCJTF-QYZOEREBSA-N 0 0 473.618 4.537 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC(F)(F)Br ZINC001360762133 1065838165 /nfs/dbraw/zinc/83/81/65/1065838165.db2.gz AOJWEMCRMOIZPZ-SUNKGSAMSA-N 0 0 467.717 4.853 20 0 JJADRN CC(C)CN(Cc1ccccn1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC001439526844 1065838268 /nfs/dbraw/zinc/83/82/68/1065838268.db2.gz GRPUCCMWHWEBTN-UHFFFAOYSA-N 0 0 458.591 4.501 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)cc1OC ZINC001439527157 1065838322 /nfs/dbraw/zinc/83/83/22/1065838322.db2.gz MVKMJGAROGAFBU-LLVKDONJSA-N 0 0 456.283 4.952 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)ccc1Cl ZINC001439525503 1065838369 /nfs/dbraw/zinc/83/83/69/1065838369.db2.gz MBVPYWQGOWHISW-UHFFFAOYSA-N 0 0 450.004 4.612 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCNC(=O)c1cccs1 ZINC001360762444 1065838787 /nfs/dbraw/zinc/83/87/87/1065838787.db2.gz FVEFAKXJPHYRGY-DLBZAZTESA-N 0 0 483.569 4.839 20 0 JJADRN CC(C)O[C@@]1(CNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCOC1 ZINC001439541355 1065838870 /nfs/dbraw/zinc/83/88/70/1065838870.db2.gz BCAMTZDUMBQHQQ-OAQYLSRUSA-N 0 0 452.320 4.694 20 0 JJADRN CC(C)c1ccc(NC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)cn1 ZINC001439542300 1065838989 /nfs/dbraw/zinc/83/89/89/1065838989.db2.gz XUGGQYZZFVYHQR-UHFFFAOYSA-N 0 0 454.250 4.819 20 0 JJADRN CC(C)O[C@]1(CNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCOC1 ZINC001439541352 1065839189 /nfs/dbraw/zinc/83/91/89/1065839189.db2.gz BCAMTZDUMBQHQQ-NRFANRHFSA-N 0 0 452.320 4.694 20 0 JJADRN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 ZINC001439547584 1065839753 /nfs/dbraw/zinc/83/97/53/1065839753.db2.gz MTGYFEPFRHZGEQ-UHFFFAOYSA-N 0 0 456.395 4.551 20 0 JJADRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001439545554 1065839876 /nfs/dbraw/zinc/83/98/76/1065839876.db2.gz HIPLFUPUPBVFSM-ZIAGYGMSSA-N 0 0 452.423 4.530 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)Nc3c(-c4ccc(Cl)cc4)ncn3C(C)C)CC2=O)cc1 ZINC001439550449 1065840253 /nfs/dbraw/zinc/84/02/53/1065840253.db2.gz AVMVBPNZEXCNMI-QGZVFWFLSA-N 0 0 452.942 4.785 20 0 JJADRN CCc1c(C(=O)NC[C@@]2(c3ccccc3)CCCO2)cnn1-c1ccc(Br)cc1 ZINC001439550833 1065840385 /nfs/dbraw/zinc/84/03/85/1065840385.db2.gz BWWGBVGOGBCMIP-HSZRJFAPSA-N 0 0 454.368 4.633 20 0 JJADRN CO[C@@H](C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Br)s1 ZINC001439551755 1065840573 /nfs/dbraw/zinc/84/05/73/1065840573.db2.gz GCBKKBGBZKTKIM-HZPDHXFCSA-N 0 0 458.349 4.536 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccc(Br)n1 ZINC001360762753 1065840703 /nfs/dbraw/zinc/84/07/03/1065840703.db2.gz KZMPDLIYZOVBAH-GOEBONIOSA-N 0 0 492.418 4.705 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)o2)cc1 ZINC001439559400 1065841666 /nfs/dbraw/zinc/84/16/66/1065841666.db2.gz ZXPDEOMJXORQEQ-HSZRJFAPSA-N 0 0 454.498 4.621 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(Br)c1 ZINC001439571402 1065841732 /nfs/dbraw/zinc/84/17/32/1065841732.db2.gz HUHOENZOYCUMJY-IBGZPJMESA-N 0 0 458.274 4.762 20 0 JJADRN COc1ccc(CNC(=O)c2cc(Br)c(C)cc2Br)c(C)c1OC ZINC001439571821 1065841917 /nfs/dbraw/zinc/84/19/17/1065841917.db2.gz WDNBDKKYZVDPFK-UHFFFAOYSA-N 0 0 457.162 4.776 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)C2(C(=O)OC(C)(C)C)CCC2)C1 ZINC001439581159 1065842627 /nfs/dbraw/zinc/84/26/27/1065842627.db2.gz BSJGROQUEYROJK-GOSISDBHSA-N 0 0 458.599 4.619 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccc(Br)c(Cl)c1 ZINC001439582496 1065843126 /nfs/dbraw/zinc/84/31/26/1065843126.db2.gz ZQXWFOQEZRLRGI-KBXCAEBGSA-N 0 0 458.780 4.562 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001439582595 1065843907 /nfs/dbraw/zinc/84/39/07/1065843907.db2.gz PFCQGWGJNLJYJA-FQEVSTJZSA-N 0 0 457.368 4.923 20 0 JJADRN Cc1cc(C(=O)N2CCOC[C@@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001439583953 1065843944 /nfs/dbraw/zinc/84/39/44/1065843944.db2.gz KHYXPMMEQXYNOJ-UXHICEINSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)oc2c1C(=O)CCC2 ZINC001439583911 1065843996 /nfs/dbraw/zinc/84/39/96/1065843996.db2.gz KGLCHGQVFPQYPP-KRWDZBQOSA-N 0 0 452.551 4.841 20 0 JJADRN CN1c2cc(NC(=O)c3cc(Br)cc4cccnc43)ccc2OCC(C)(C)C1=O ZINC001439584930 1065844034 /nfs/dbraw/zinc/84/40/34/1065844034.db2.gz AWVKCSJSAOZUMN-UHFFFAOYSA-N 0 0 454.324 4.631 20 0 JJADRN Cc1c(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)oc2c1C(=O)CCC2 ZINC001439583917 1065844047 /nfs/dbraw/zinc/84/40/47/1065844047.db2.gz KGLCHGQVFPQYPP-QGZVFWFLSA-N 0 0 452.551 4.841 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCCOC[C@@H]1CCCO1 ZINC001360763592 1065844105 /nfs/dbraw/zinc/84/41/05/1065844105.db2.gz ZBCIOATXXWRPAQ-MOXWOTFGSA-N 0 0 495.089 4.987 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360763641 1065844135 /nfs/dbraw/zinc/84/41/35/1065844135.db2.gz ZPAOMLHZAATSJW-RTBURBONSA-N 0 0 492.089 4.806 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCOC2)n1Cc1sccc1Br ZINC001360764494 1065844910 /nfs/dbraw/zinc/84/49/10/1065844910.db2.gz AYSXSXIOLNBBBW-LSDHHAIUSA-N 0 0 495.418 4.902 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CCSC1 ZINC001360764517 1065845523 /nfs/dbraw/zinc/84/55/23/1065845523.db2.gz BDWZPMIZDIBIGV-LSDHHAIUSA-N 0 0 498.550 4.699 20 0 JJADRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC001439590061 1065846266 /nfs/dbraw/zinc/84/62/66/1065846266.db2.gz DPNXIAUDCMFKFX-UHFFFAOYSA-N 0 0 454.552 4.732 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)Cc3ccc(C)s3)C2)c2ccccc12 ZINC001360764728 1065846458 /nfs/dbraw/zinc/84/64/58/1065846458.db2.gz YYIXYGFZXQFHRX-MJGOQNOKSA-N 0 0 450.604 4.818 20 0 JJADRN CCn1c2ccccc2n(CC(=O)Nc2cccc(-c3cccc(Br)c3)c2)c1=O ZINC001439597036 1065846801 /nfs/dbraw/zinc/84/68/01/1065846801.db2.gz SQPFSEVMMWBXKY-UHFFFAOYSA-N 0 0 450.336 4.891 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCCC2)nc1 ZINC001360764962 1065846823 /nfs/dbraw/zinc/84/68/23/1065846823.db2.gz IIMUXTFLMZNXQM-KRWDZBQOSA-N 0 0 492.521 4.989 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCCC2)nc1 ZINC001360764963 1065847025 /nfs/dbraw/zinc/84/70/25/1065847025.db2.gz IIMUXTFLMZNXQM-QGZVFWFLSA-N 0 0 492.521 4.989 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccs2)n1Cc1ncccc1N(C)C ZINC001360764905 1065847055 /nfs/dbraw/zinc/84/70/55/1065847055.db2.gz HHOWVYHTMCGQNJ-QGZVFWFLSA-N 0 0 466.586 4.764 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@](C)(O)C1CC1 ZINC001360765006 1065847527 /nfs/dbraw/zinc/84/75/27/1065847527.db2.gz JJJVAWKCYNORBC-YEJXKQKISA-N 0 0 499.534 4.830 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H](C)Oc1ccccc1Br)CC2 ZINC001439614024 1065847583 /nfs/dbraw/zinc/84/75/83/1065847583.db2.gz PFCWLYLPPDGQTN-CYBMUJFWSA-N 0 0 453.174 4.872 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001360764993 1065847584 /nfs/dbraw/zinc/84/75/84/1065847584.db2.gz JACPZWMIUVJZBH-PNLZDCPESA-N 0 0 486.510 4.674 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001439613900 1065847785 /nfs/dbraw/zinc/84/77/85/1065847785.db2.gz NVBFHHMDXGQZOY-OLZOCXBDSA-N 0 0 457.151 4.947 20 0 JJADRN CC[C@H]1[C@H](C(=O)N2CCc3cc(C)c(Br)cc3C2)CCN1C(=O)OC(C)(C)C ZINC001439624208 1065849260 /nfs/dbraw/zinc/84/92/60/1065849260.db2.gz JSSAXULWWXEAPN-MJGOQNOKSA-N 0 0 451.405 4.678 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)c1ccccn1 ZINC001360765422 1065849780 /nfs/dbraw/zinc/84/97/80/1065849780.db2.gz QTKALIURFZSBJA-IBGZPJMESA-N 0 0 467.589 4.793 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c(Br)c1 ZINC001439635488 1065850369 /nfs/dbraw/zinc/85/03/69/1065850369.db2.gz AQVXWIBPBBFPLL-UHFFFAOYSA-N 0 0 457.290 4.861 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCc3cc(F)c(Br)cc3C2)c1Br ZINC001439628487 1065850398 /nfs/dbraw/zinc/85/03/98/1065850398.db2.gz SPKWUWZNTZCQFJ-UHFFFAOYSA-N 0 0 459.157 4.501 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1 ZINC001360765495 1065850619 /nfs/dbraw/zinc/85/06/19/1065850619.db2.gz SCBNIVJLZQXGAB-WMZOPIPTSA-N 0 0 459.953 4.517 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCOC(C)(C)C ZINC001360765547 1065850719 /nfs/dbraw/zinc/85/07/19/1065850719.db2.gz SYQINXAMPCFMBL-OAHLLOKOSA-N 0 0 498.525 4.761 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)N[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c(C)c1 ZINC001439638019 1065851140 /nfs/dbraw/zinc/85/11/40/1065851140.db2.gz MMVXBOIOXACZIJ-FUHWJXTLSA-N 0 0 452.942 4.546 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360765659 1065851245 /nfs/dbraw/zinc/85/12/45/1065851245.db2.gz WFBDSGGSNUVNOP-SJORKVTESA-N 0 0 488.633 4.617 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@]1(O)CCC[C@H]1C ZINC001360765709 1065851381 /nfs/dbraw/zinc/85/13/81/1065851381.db2.gz WZVGRPWIYRGTGM-XVTZWQNCSA-N 0 0 473.980 4.793 20 0 JJADRN C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC001360765837 1065851792 /nfs/dbraw/zinc/85/17/92/1065851792.db2.gz YWIUKVDOMQLVMB-HZPDHXFCSA-N 0 0 490.605 4.563 20 0 JJADRN CCOC(=O)CCC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360765955 1065851819 /nfs/dbraw/zinc/85/18/19/1065851819.db2.gz BNNDCAZXPDGIAB-SFHVURJKSA-N 0 0 456.739 4.985 20 0 JJADRN Cc1cc(-c2nc(C(=O)NCc3ccc(Br)c(Br)c3)co2)ccn1 ZINC001439642357 1065852297 /nfs/dbraw/zinc/85/22/97/1065852297.db2.gz SYJVPLBYJRBHMZ-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001545924013 1065852390 /nfs/dbraw/zinc/85/23/90/1065852390.db2.gz NJMLPTOHVZBKLM-UHFFFAOYSA-N 0 0 472.703 4.577 20 0 JJADRN CCOC(=O)c1noc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)c1C ZINC001439641574 1065852580 /nfs/dbraw/zinc/85/25/80/1065852580.db2.gz GDJLINKCFZFYFG-UHFFFAOYSA-N 0 0 458.518 4.941 20 0 JJADRN CC[C@@H](NC(C)=O)C(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766224 1065852522 /nfs/dbraw/zinc/85/25/22/1065852522.db2.gz LGDDXTMYSRELRB-RTBURBONSA-N 0 0 455.755 4.556 20 0 JJADRN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1OCc1ccccc1 ZINC001439646470 1065853069 /nfs/dbraw/zinc/85/30/69/1065853069.db2.gz PUKVXLSQOJBPML-SFHVURJKSA-N 0 0 450.560 4.537 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CCCCC1(F)F ZINC001360766651 1065853305 /nfs/dbraw/zinc/85/33/05/1065853305.db2.gz AFZOECCRLZFCCZ-QZTJIDSGSA-N 0 0 474.531 4.852 20 0 JJADRN Cn1ccc(CC(=O)N[C@@H](Cc2c(F)cccc2Cl)c2ccccc2Br)n1 ZINC001360766621 1065853354 /nfs/dbraw/zinc/85/33/54/1065853354.db2.gz ZRLMAWZTADXJRG-IBGZPJMESA-N 0 0 450.739 4.618 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001439676136 1065855293 /nfs/dbraw/zinc/85/52/93/1065855293.db2.gz FZDMOVNGHWKEPK-LRAJWGHMSA-N 0 0 458.331 4.765 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360767390 1065856124 /nfs/dbraw/zinc/85/61/24/1065856124.db2.gz ORASTTPHGQJZJZ-TWMKSMIVSA-N 0 0 483.510 4.518 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccco1 ZINC001360767277 1065856160 /nfs/dbraw/zinc/85/61/60/1065856160.db2.gz MSWQJSDQTYISKQ-ZWOKBUDYSA-N 0 0 485.560 4.548 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O ZINC001360767592 1065856652 /nfs/dbraw/zinc/85/66/52/1065856652.db2.gz RKKHBNSPHMFZAW-AZUAARDMSA-N 0 0 490.601 4.533 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(Cl)ccc1I ZINC001439684510 1065857149 /nfs/dbraw/zinc/85/71/49/1065857149.db2.gz VIOSVESRONLUKT-VBHSOAQHSA-N 0 0 455.723 4.935 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)c(F)cc1I ZINC001439681457 1065857296 /nfs/dbraw/zinc/85/72/96/1065857296.db2.gz PDRMGWOVSCASJV-FTLABTOESA-N 0 0 457.258 4.560 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1CC1CC(F)(F)C1 ZINC001360767817 1065857332 /nfs/dbraw/zinc/85/73/32/1065857332.db2.gz ULJOTSYCIQLVIS-AWEZNQCLSA-N 0 0 451.518 4.738 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCn2ccnc21 ZINC001360767952 1065858065 /nfs/dbraw/zinc/85/80/65/1065858065.db2.gz WCSUIHPWCLKIPR-RTBURBONSA-N 0 0 470.593 4.583 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001439690178 1065858130 /nfs/dbraw/zinc/85/81/30/1065858130.db2.gz CXVLMKAVCALXER-RXFWQSSRSA-N 0 0 458.599 4.860 20 0 JJADRN CC[C@H](NC(=O)CCCOc1ccc(I)cc1)c1cc(F)ccc1F ZINC001360768113 1065858259 /nfs/dbraw/zinc/85/82/59/1065858259.db2.gz GLIFUXHCTYJKEN-SFHVURJKSA-N 0 0 459.274 4.996 20 0 JJADRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc(F)ccc1F ZINC001360768312 1065858271 /nfs/dbraw/zinc/85/82/71/1065858271.db2.gz JCSJVPMXARESQJ-FQEVSTJZSA-N 0 0 456.942 4.674 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC001439693159 1065858937 /nfs/dbraw/zinc/85/89/37/1065858937.db2.gz JJCKGYABVSTYCZ-QHCPKHFHSA-N 0 0 452.595 4.632 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cc(F)ccc1F ZINC001360768821 1065859083 /nfs/dbraw/zinc/85/90/83/1065859083.db2.gz XPQSGTMBXSTCSX-JOCHJYFZSA-N 0 0 450.551 4.799 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCCOCC1CCOCC1 ZINC001360769091 1065859958 /nfs/dbraw/zinc/85/99/58/1065859958.db2.gz DDVBSXZHWRMLBX-HBMCJLEFSA-N 0 0 474.621 4.873 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)CCC1 ZINC001439699395 1065859904 /nfs/dbraw/zinc/85/99/04/1065859904.db2.gz BQTRWRDUFSWONF-NRFANRHFSA-N 0 0 456.562 4.701 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CCCOC[C@@H]1CCCO1 ZINC001360769153 1065860309 /nfs/dbraw/zinc/86/03/09/1065860309.db2.gz DYVKYVFBUYZVII-UXHICEINSA-N 0 0 460.594 4.769 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CCCOC[C@H]1CCCO1 ZINC001360769154 1065860360 /nfs/dbraw/zinc/86/03/60/1065860360.db2.gz DYVKYVFBUYZVII-VQTJNVASSA-N 0 0 460.594 4.769 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H]1CC=CCO1 ZINC001360769145 1065860547 /nfs/dbraw/zinc/86/05/47/1065860547.db2.gz DTWAXJNQURHZKH-GJZGRUSLSA-N 0 0 453.345 4.802 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(Br)c1 ZINC001439700257 1065860728 /nfs/dbraw/zinc/86/07/28/1065860728.db2.gz BXIQNHHKLGLKAO-GUYCJALGSA-N 0 0 457.384 4.844 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1([S@@](C)=O)CC1 ZINC001360769207 1065860875 /nfs/dbraw/zinc/86/08/75/1065860875.db2.gz FZFKRXKLPVRPJF-NJHFVCTFSA-N 0 0 488.551 4.637 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCOc1ncccc1Cl ZINC001360769185 1065861105 /nfs/dbraw/zinc/86/11/05/1065861105.db2.gz FLQOTWPTZRKRNO-ZACQAIPSSA-N 0 0 459.953 4.919 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccccc2OCCOc2ccccc2)C(C)(C)C1 ZINC001439702650 1065861324 /nfs/dbraw/zinc/86/13/24/1065861324.db2.gz QIHAVLPTYOGJSF-QFIPXVFZSA-N 0 0 454.567 4.520 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3C3(CNC(=O)OC(C)(C)C)CCC3)c2)cn1 ZINC001439700686 1065861358 /nfs/dbraw/zinc/86/13/58/1065861358.db2.gz GQQDCKMVKPOYTK-JOCHJYFZSA-N 0 0 452.599 4.777 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC001439704773 1065862048 /nfs/dbraw/zinc/86/20/48/1065862048.db2.gz OJULMNZQVAMFJB-SJLPKXTDSA-N 0 0 452.885 4.862 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccc(O[C@H]3CCOC3)cc2)CCC1 ZINC001439708705 1065862682 /nfs/dbraw/zinc/86/26/82/1065862682.db2.gz UBBBTFDUGOBWMH-FCHUYYIVSA-N 0 0 458.599 4.544 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC1(O)CCCC1 ZINC001360769631 1065862721 /nfs/dbraw/zinc/86/27/21/1065862721.db2.gz LILIDQLCFYWBRZ-OAHLLOKOSA-N 0 0 456.484 4.641 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cnc(-c3ccncc3)s2)CCC1 ZINC001439709247 1065863201 /nfs/dbraw/zinc/86/32/01/1065863201.db2.gz VYPSXJUGDHYTGI-LJQANCHMSA-N 0 0 456.612 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C(C)(C)C1 ZINC001439710034 1065863217 /nfs/dbraw/zinc/86/32/17/1065863217.db2.gz PURQRDVFYWSUQY-GOSISDBHSA-N 0 0 455.521 4.681 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCCn1cc(Br)cn1 ZINC001360769921 1065863331 /nfs/dbraw/zinc/86/33/31/1065863331.db2.gz PXOQNJJSDKJTPQ-ZACQAIPSSA-N 0 0 491.409 4.841 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCSCC(F)(F)F ZINC001360769724 1065863408 /nfs/dbraw/zinc/86/34/08/1065863408.db2.gz MMEAVSDCTDGNTQ-ULQDDVLXSA-N 0 0 488.551 4.716 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cccc(N3CCCC3=O)c2)CCC1 ZINC001439710439 1065863298 /nfs/dbraw/zinc/86/32/98/1065863298.db2.gz ZAEKRFAMDLMSBC-NRFANRHFSA-N 0 0 455.599 4.503 20 0 JJADRN C[C@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC001439717814 1065863798 /nfs/dbraw/zinc/86/37/98/1065863798.db2.gz HMGULHGRESIBQN-GFCCVEGCSA-N 0 0 450.333 4.650 20 0 JJADRN COc1cccc(F)c1CNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001439715847 1065863853 /nfs/dbraw/zinc/86/38/53/1065863853.db2.gz MYLGSQVZFJIOPJ-AWEZNQCLSA-N 0 0 455.311 4.714 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)NC[C@H](C)c3ccc(Br)cc3)no2)c1 ZINC001439727136 1065864682 /nfs/dbraw/zinc/86/46/82/1065864682.db2.gz GJCVJUOVEGTZLO-AWEZNQCLSA-N 0 0 457.324 4.752 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCSC(F)(F)F ZINC001360770056 1065864766 /nfs/dbraw/zinc/86/47/66/1065864766.db2.gz SFDAYYSSOIFNJA-HNNXBMFYSA-N 0 0 498.550 4.928 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc(Cl)c1 ZINC001439731936 1065865799 /nfs/dbraw/zinc/86/57/99/1065865799.db2.gz HVGDSKREAMKMBJ-ROTAYESASA-N 0 0 459.999 4.578 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001439731376 1065865826 /nfs/dbraw/zinc/86/58/26/1065865826.db2.gz GLVXKKVWUFWQLU-YMGMXPECSA-N 0 0 457.404 4.582 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc(Cl)c1 ZINC001439731931 1065865925 /nfs/dbraw/zinc/86/59/25/1065865925.db2.gz HVGDSKREAMKMBJ-BGOLNKOXSA-N 0 0 459.999 4.578 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001439731375 1065865971 /nfs/dbraw/zinc/86/59/71/1065865971.db2.gz GLVXKKVWUFWQLU-UULLZXFKSA-N 0 0 457.404 4.582 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)s1 ZINC001360770314 1065865963 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ZINC001440061049 1065907801 /nfs/dbraw/zinc/90/78/01/1065907801.db2.gz CRYPXAUBECFZCX-VNXZQDSDSA-N 0 0 456.627 4.866 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC001360793836 1065908109 /nfs/dbraw/zinc/90/81/09/1065908109.db2.gz OJMHNKNXMQXHHU-VYJVTFEWSA-N 0 0 454.611 4.810 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCc3ncc(Br)n3C2)c(C)c1 ZINC001440062353 1065908220 /nfs/dbraw/zinc/90/82/20/1065908220.db2.gz HOGUTNBFSABJQT-OAHLLOKOSA-N 0 0 457.397 4.553 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793805 1065908294 /nfs/dbraw/zinc/90/82/94/1065908294.db2.gz OEWMPUUBUONOGZ-VQTJNVASSA-N 0 0 457.571 4.642 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Cc1cc(Cl)ccc1OC ZINC001360794311 1065908774 /nfs/dbraw/zinc/90/87/74/1065908774.db2.gz VIBWTYLIDOVQPY-FGZHOGPDSA-N 0 0 458.986 4.929 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(-c3cccc(F)c3)s2)cc1 ZINC001440074792 1065909523 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4.716 20 0 JJADRN Cc1ccc([C@H]2CCCCN2C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)cc1 ZINC001360800017 1065910810 /nfs/dbraw/zinc/91/08/10/1065910810.db2.gz SOCUYHYNNBTPFM-IFMALSPDSA-N 0 0 453.587 4.526 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC001440093346 1065911255 /nfs/dbraw/zinc/91/12/55/1065911255.db2.gz TYWDSKPZDSPDRW-UHFFFAOYSA-N 0 0 451.954 4.759 20 0 JJADRN Cc1ccc(CN2CCOCC2)cc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001360800053 1065911320 /nfs/dbraw/zinc/91/13/20/1065911320.db2.gz UBCSWNZXIWLVLN-UHFFFAOYSA-N 0 0 456.011 4.709 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br ZINC001360800626 1065911659 /nfs/dbraw/zinc/91/16/59/1065911659.db2.gz IEBPULRLEWQRCS-SUMWQHHRSA-N 0 0 459.812 4.939 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)c1-c1ccccc1 ZINC001440099025 1065911793 /nfs/dbraw/zinc/91/17/93/1065911793.db2.gz GXOBVOQIFUEQES-UHFFFAOYSA-N 0 0 453.564 4.549 20 0 JJADRN O=C(CSc1ncnc2cc(-c3ccc(Br)cc3)sc21)NCCC(F)F ZINC001440105956 1065912063 /nfs/dbraw/zinc/91/20/63/1065912063.db2.gz RIRSEWNSJBYBPZ-UHFFFAOYSA-N 0 0 458.353 4.984 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cs1 ZINC001440109743 1065912615 /nfs/dbraw/zinc/91/26/15/1065912615.db2.gz CSJWIOMZEJRHBC-UHFFFAOYSA-N 0 0 451.523 4.827 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1coc(-c2cccnc2)n1)C(F)(F)F ZINC001440110914 1065912714 /nfs/dbraw/zinc/91/27/14/1065912714.db2.gz FZJCOESEYJWBEE-GOSISDBHSA-N 0 0 455.440 4.615 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001360801796 1065912801 /nfs/dbraw/zinc/91/28/01/1065912801.db2.gz OEHFUOUNDQEYOQ-UHFFFAOYSA-N 0 0 471.621 4.938 20 0 JJADRN CC1(C)CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360802018 1065913118 /nfs/dbraw/zinc/91/31/18/1065913118.db2.gz VGIZXAZSPPBQGK-UHFFFAOYSA-N 0 0 470.561 4.564 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cc(C)c(Cl)cc2I)c(OC)c1 ZINC001440114442 1065913218 /nfs/dbraw/zinc/91/32/18/1065913218.db2.gz YDAQDGFDQYYGLP-LLVKDONJSA-N 0 0 459.711 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC001440114721 1065913311 /nfs/dbraw/zinc/91/33/11/1065913311.db2.gz KOWOYTUYEHXCFK-JOCHJYFZSA-N 0 0 456.505 4.866 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 ZINC001440113608 1065913341 /nfs/dbraw/zinc/91/33/41/1065913341.db2.gz IIFAQBJLWAUWHY-HXUWFJFHSA-N 0 0 458.484 4.914 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1OCC ZINC001440113256 1065913403 /nfs/dbraw/zinc/91/34/03/1065913403.db2.gz VIZTYOCYLDIYEF-GOSISDBHSA-N 0 0 452.979 4.657 20 0 JJADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC(C)(C)C2)CC1 ZINC001360802131 1065913694 /nfs/dbraw/zinc/91/36/94/1065913694.db2.gz YWCFPAFJQVWWAJ-FQEVSTJZSA-N 0 0 461.651 4.697 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)C2)c1 ZINC001440119314 1065913825 /nfs/dbraw/zinc/91/38/25/1065913825.db2.gz SFXCNQUCBJDDNT-NVQXNPDNSA-N 0 0 455.599 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC001440116044 1065913852 /nfs/dbraw/zinc/91/38/52/1065913852.db2.gz LSNTZRPNWPCOIB-XMMPIXPASA-N 0 0 458.990 4.922 20 0 JJADRN CC1(C)C[C@H]1Cn1c(C2CCCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360802528 1065914191 /nfs/dbraw/zinc/91/41/91/1065914191.db2.gz ISLBSVCLXHGRRL-HNNXBMFYSA-N 0 0 453.450 4.805 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc3scc(Br)c3c2)C2(CC2)C1 ZINC001440123675 1065914333 /nfs/dbraw/zinc/91/43/33/1065914333.db2.gz VINTWROMPMWKNI-MRXNPFEDSA-N 0 0 451.386 4.793 20 0 JJADRN CC1(C)C[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360803103 1065914795 /nfs/dbraw/zinc/91/47/95/1065914795.db2.gz UKKCSEMOYZHGNK-INIZCTEOSA-N 0 0 471.955 4.631 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC001360804267 1065915406 /nfs/dbraw/zinc/91/54/06/1065915406.db2.gz PFOUJTCYORJYNI-UHFFFAOYSA-N 0 0 456.589 4.815 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360805107 1065916259 /nfs/dbraw/zinc/91/62/59/1065916259.db2.gz HZMNQWYUEDCGGX-CABCVRRESA-N 0 0 480.476 4.687 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360804928 1065916269 /nfs/dbraw/zinc/91/62/69/1065916269.db2.gz BXAHPCMVROMVPF-OAQYLSRUSA-N 0 0 463.592 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)C3(c4c(Cl)cccc4Cl)CC3)c2C1 ZINC001440146021 1065916522 /nfs/dbraw/zinc/91/65/22/1065916522.db2.gz YFUUNICYRVFMDS-UHFFFAOYSA-N 0 0 452.338 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001440146613 1065917066 /nfs/dbraw/zinc/91/70/66/1065917066.db2.gz AFAAJMKOGJZQGK-GFCCVEGCSA-N 0 0 458.422 4.550 20 0 JJADRN C[C@](O)(C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805459 1065917249 /nfs/dbraw/zinc/91/72/49/1065917249.db2.gz RERAXPFTHJFHOL-CECAUBDESA-N 0 0 458.569 4.528 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360805382 1065917442 /nfs/dbraw/zinc/91/74/42/1065917442.db2.gz PNXRARKTSIAFSP-OAHLLOKOSA-N 0 0 478.460 4.922 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805460 1065917458 /nfs/dbraw/zinc/91/74/58/1065917458.db2.gz RERAXPFTHJFHOL-RADWXHQJSA-N 0 0 458.569 4.528 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(SC)c2)n1C ZINC001440159286 1065918535 /nfs/dbraw/zinc/91/85/35/1065918535.db2.gz VMKYDCGGAGHHFX-INIZCTEOSA-N 0 0 451.386 4.664 20 0 JJADRN CCCc1c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(C)cc1 ZINC001440157540 1065918619 /nfs/dbraw/zinc/91/86/19/1065918619.db2.gz YQVZSLZXONRHBC-HXUWFJFHSA-N 0 0 454.615 4.900 20 0 JJADRN Cc1c(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cnn1-c1ccccc1 ZINC001440164455 1065919068 /nfs/dbraw/zinc/91/90/68/1065919068.db2.gz ICJOIGNHYGPCTN-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1ncc(Oc2ccccc2)cn1)Nc1ccccc1F ZINC001440164215 1065919081 /nfs/dbraw/zinc/91/90/81/1065919081.db2.gz JVHRILXTDIQSDO-UHFFFAOYSA-N 0 0 458.449 4.678 20 0 JJADRN O=C(NCc1cccc(OCC(F)F)c1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001360806992 1065919315 /nfs/dbraw/zinc/91/93/15/1065919315.db2.gz ULVFKJMZYNYKCP-HXUWFJFHSA-N 0 0 453.327 4.546 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)C2CC2)n1 ZINC001360807248 1065919455 /nfs/dbraw/zinc/91/94/55/1065919455.db2.gz FFLNQTCTDRUUMK-QGZVFWFLSA-N 0 0 450.560 4.874 20 0 JJADRN Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC001360807119 1065919481 /nfs/dbraw/zinc/91/94/81/1065919481.db2.gz ZPDNCIBYHZLMGS-UHFFFAOYSA-N 0 0 456.464 4.801 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1c(F)cccc1-n1cccn1)CC2 ZINC001440168674 1065919619 /nfs/dbraw/zinc/91/96/19/1065919619.db2.gz DYMDVXUSRWLAMA-GOSISDBHSA-N 0 0 456.562 4.559 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)CCOC2 ZINC001440168134 1065919629 /nfs/dbraw/zinc/91/96/29/1065919629.db2.gz 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CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001440390584 1065937273 /nfs/dbraw/zinc/93/72/73/1065937273.db2.gz AXVQPUQSURYDAR-BHIYHBOVSA-N 0 0 457.478 4.632 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001440390595 1065937481 /nfs/dbraw/zinc/93/74/81/1065937481.db2.gz AXVQPUQSURYDAR-NEWSRXKRSA-N 0 0 457.478 4.632 20 0 JJADRN Cc1ccc(NC(=O)c2cccnc2OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440390216 1065937493 /nfs/dbraw/zinc/93/74/93/1065937493.db2.gz UYAMKSGAPGTAHI-UHFFFAOYSA-N 0 0 459.955 4.884 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001440390618 1065937529 /nfs/dbraw/zinc/93/75/29/1065937529.db2.gz AXVQPUQSURYDAR-QRQLOZEOSA-N 0 0 457.478 4.632 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001440393962 1065937864 /nfs/dbraw/zinc/93/78/64/1065937864.db2.gz LGNNQFPYEIRUFQ-FCEWJHQRSA-N 0 0 459.612 4.763 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC001440396540 1065937953 /nfs/dbraw/zinc/93/79/53/1065937953.db2.gz SEHOVHYWLGSJAT-OAHLLOKOSA-N 0 0 452.432 4.993 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1-c1ccccc1 ZINC001360825548 1065938335 /nfs/dbraw/zinc/93/83/35/1065938335.db2.gz LOOQNNFBBJGIOQ-UHFFFAOYSA-N 0 0 456.539 4.830 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1F ZINC001360826468 1065938356 /nfs/dbraw/zinc/93/83/56/1065938356.db2.gz YFELXKJUUBHTJL-UHFFFAOYSA-N 0 0 452.857 4.827 20 0 JJADRN CC[C@@](C)(NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1)C(=O)OC ZINC001360826229 1065938443 /nfs/dbraw/zinc/93/84/43/1065938443.db2.gz RAWYRBCUDFOQNN-HXUWFJFHSA-N 0 0 454.379 4.833 20 0 JJADRN O=C(c1c(Cl)cc(F)cc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001440397509 1065938332 /nfs/dbraw/zinc/93/83/32/1065938332.db2.gz QYCUBVCSKFJZSR-UHFFFAOYSA-N 0 0 452.176 4.915 20 0 JJADRN CS[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001440415668 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IPIHMLZVISWHKL-UHFFFAOYSA-N 0 0 455.923 4.744 20 0 JJADRN CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001360829503 1065941293 /nfs/dbraw/zinc/94/12/93/1065941293.db2.gz DLIGLJXFYLSGAC-QGZVFWFLSA-N 0 0 456.534 4.603 20 0 JJADRN CC1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCOC2)CCS1 ZINC001360829541 1065941307 /nfs/dbraw/zinc/94/13/07/1065941307.db2.gz FQPDVMZBJBDYKQ-CQSZACIVSA-N 0 0 457.427 4.532 20 0 JJADRN CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1 ZINC001360829602 1065941357 /nfs/dbraw/zinc/94/13/57/1065941357.db2.gz IKLGBLUQBZGOAR-AVRDEDQJSA-N 0 0 477.049 4.967 20 0 JJADRN CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCc2ccc(Br)s2)CCS1 ZINC001360829619 1065941408 /nfs/dbraw/zinc/94/14/08/1065941408.db2.gz JCQHQRCIWANUDW-CQSZACIVSA-N 0 0 457.463 4.528 20 0 JJADRN CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)CC1 ZINC001440440887 1065941458 /nfs/dbraw/zinc/94/14/58/1065941458.db2.gz WGTRHQKEVHLOKV-UHFFFAOYSA-N 0 0 452.942 4.543 20 0 JJADRN CC1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCCCCC2=O)CCO1 ZINC001360829652 1065941870 /nfs/dbraw/zinc/94/18/70/1065941870.db2.gz KIFDBUSEBMEVHL-UHFFFAOYSA-N 0 0 492.089 4.632 20 0 JJADRN O=C(Nc1cccc(I)c1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001440474389 1065942421 /nfs/dbraw/zinc/94/24/21/1065942421.db2.gz ZEUWQSNPNGABJG-UHFFFAOYSA-N 0 0 458.177 4.816 20 0 JJADRN CCNc1ncc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1Cl ZINC001440476578 1065942440 /nfs/dbraw/zinc/94/24/40/1065942440.db2.gz DFQLDCXQANQYPH-UHFFFAOYSA-N 0 0 454.914 4.689 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@H]1CCC[C@H]1C ZINC001545932269 1065942459 /nfs/dbraw/zinc/94/24/59/1065942459.db2.gz IBFJUBNMVYYIMK-RFWXGWTQSA-N 0 0 453.631 4.519 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1Cc1cccs1 ZINC001545932316 1065942499 /nfs/dbraw/zinc/94/24/99/1065942499.db2.gz IVCYDPFFPUCRQB-MRXNPFEDSA-N 0 0 480.059 4.599 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC001440476517 1065942543 /nfs/dbraw/zinc/94/25/43/1065942543.db2.gz HBHPDNVZPKPFAF-UHFFFAOYSA-N 0 0 453.564 4.916 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@H]1CCC[C@@H]1C ZINC001545932268 1065942601 /nfs/dbraw/zinc/94/26/01/1065942601.db2.gz IBFJUBNMVYYIMK-NOXFTYBFSA-N 0 0 453.631 4.519 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 ZINC001360830828 1065942898 /nfs/dbraw/zinc/94/28/98/1065942898.db2.gz DWVYQVGEKRMXTH-UHFFFAOYSA-N 0 0 458.852 4.502 20 0 JJADRN CC1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCOC(C)(C)C1 ZINC001360830195 1065943062 /nfs/dbraw/zinc/94/30/62/1065943062.db2.gz GMWQCCAVXHZDEU-UHFFFAOYSA-N 0 0 452.430 4.742 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCSC2(C)C)CC1)C(F)(F)F ZINC001360831786 1065943404 /nfs/dbraw/zinc/94/34/04/1065943404.db2.gz BKKSXDMVROUNNF-CBGDNZLLSA-N 0 0 476.609 4.581 20 0 JJADRN CC1(C)SCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001360831778 1065943476 /nfs/dbraw/zinc/94/34/76/1065943476.db2.gz BHSRUHWNMVMUSK-INIZCTEOSA-N 0 0 456.006 4.517 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OCC1CC1 ZINC001360832049 1065943728 /nfs/dbraw/zinc/94/37/28/1065943728.db2.gz MHMYSCPKHSXZTB-AREMUKBSSA-N 0 0 452.551 4.789 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1ccccc1OCC1CC1 ZINC001360832089 1065943854 /nfs/dbraw/zinc/94/38/54/1065943854.db2.gz MWTYDRHIYHXTIE-LJQANCHMSA-N 0 0 454.571 4.805 20 0 JJADRN CC1(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001360832004 1065943866 /nfs/dbraw/zinc/94/38/66/1065943866.db2.gz DXNLNIXBQHUMCC-SFHVURJKSA-N 0 0 499.965 4.599 20 0 JJADRN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)ccc1C(=O)N(C)C ZINC001360831832 1065943927 /nfs/dbraw/zinc/94/39/27/1065943927.db2.gz IKUNWDOHSQDRBO-UHFFFAOYSA-N 0 0 456.340 4.686 20 0 JJADRN CC1(CCn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001360832278 1065944381 /nfs/dbraw/zinc/94/43/81/1065944381.db2.gz IYVOTLJZECYOGU-HNNXBMFYSA-N 0 0 459.310 4.665 20 0 JJADRN COc1c(F)ccc(F)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001440495270 1065944388 /nfs/dbraw/zinc/94/43/88/1065944388.db2.gz DTVRBXJNBHEMNS-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN O=C(N1CCN(Cc2cccc(Cl)c2)CC1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001440495648 1065944412 /nfs/dbraw/zinc/94/44/12/1065944412.db2.gz FNNLPXBKRCUSLM-UHFFFAOYSA-N 0 0 452.904 4.906 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC1(C)CC1 ZINC001360832997 1065944666 /nfs/dbraw/zinc/94/46/66/1065944666.db2.gz HDWNCINAFLWUMH-FQEVSTJZSA-N 0 0 491.677 4.561 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc([C@H]2CCOC2)c1 ZINC001440501649 1065944972 /nfs/dbraw/zinc/94/49/72/1065944972.db2.gz VVJGRLQFZKELHZ-SFHVURJKSA-N 0 0 456.951 4.897 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1C[C@H](C)Cc1cccs1 ZINC001545932720 1065945053 /nfs/dbraw/zinc/94/50/53/1065945053.db2.gz QUMBFCBAEIGINR-JPYJTQIMSA-N 0 0 499.656 4.854 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC001440501647 1065945135 /nfs/dbraw/zinc/94/51/35/1065945135.db2.gz VVJGRLQFZKELHZ-GOSISDBHSA-N 0 0 456.951 4.897 20 0 JJADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC ZINC001360834205 1065945626 /nfs/dbraw/zinc/94/56/26/1065945626.db2.gz CWZNJHXQKGSLRO-IYOUNJFTSA-N 0 0 457.409 4.964 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CCC2 ZINC001440516493 1065946336 /nfs/dbraw/zinc/94/63/36/1065946336.db2.gz FIKVMCCLOKOOGD-QHCPKHFHSA-N 0 0 450.560 4.863 20 0 JJADRN C[C@]1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCS1 ZINC001360834626 1065946638 /nfs/dbraw/zinc/94/66/38/1065946638.db2.gz HWMYBKRWIMBVBI-LHSJRXKWSA-N 0 0 468.454 4.629 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3F)cc2)cc1 ZINC001440521000 1065946689 /nfs/dbraw/zinc/94/66/89/1065946689.db2.gz SAOOXYBJHCBZTP-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCC3)cc2)cc1 ZINC001440518215 1065946843 /nfs/dbraw/zinc/94/68/43/1065946843.db2.gz OTBMDJGSFBPXLB-OAQYLSRUSA-N 0 0 453.539 4.579 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3C)C2)n1C[C@@H](C)c1nc(C)cs1 ZINC001545932908 1065947268 /nfs/dbraw/zinc/94/72/68/1065947268.db2.gz UQXRNKHKYPWZDN-XMSQKQJNSA-N 0 0 496.681 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1CC(C)(C)CC ZINC001545932909 1065947322 /nfs/dbraw/zinc/94/73/22/1065947322.db2.gz UTDCRNXYYGWPME-INIZCTEOSA-N 0 0 468.067 4.926 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1Cc1ccc(Cl)s1 ZINC001545932948 1065947418 /nfs/dbraw/zinc/94/74/18/1065947418.db2.gz VDSRGVIYIZEZAR-LJQANCHMSA-N 0 0 474.030 4.538 20 0 JJADRN C[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCCS1 ZINC001360836987 1065948217 /nfs/dbraw/zinc/94/82/17/1065948217.db2.gz HDLQWYJDADCVOR-DNVCBOLYSA-N 0 0 475.968 4.827 20 0 JJADRN C[C@]1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](C(F)F)C2)CCCO1 ZINC001360837125 1065948303 /nfs/dbraw/zinc/94/83/03/1065948303.db2.gz KVYDESXMAWMTEA-RNODOKPDSA-N 0 0 473.337 4.897 20 0 JJADRN CN(CCOc1ccc(Br)cc1)C(=O)CCOc1cccc(Br)c1 ZINC001440529560 1065948566 /nfs/dbraw/zinc/94/85/66/1065948566.db2.gz BZVWFMSCWMCJRL-UHFFFAOYSA-N 0 0 457.162 4.518 20 0 JJADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C)CCOCC2)C1 ZINC001360837234 1065948644 /nfs/dbraw/zinc/94/86/44/1065948644.db2.gz NVRJAOWHILOPOX-GOSISDBHSA-N 0 0 492.039 4.685 20 0 JJADRN CC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC001360837312 1065948671 /nfs/dbraw/zinc/94/86/71/1065948671.db2.gz PUTCOBFJTVRWID-MRXNPFEDSA-N 0 0 472.939 4.963 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)CCCC2)C1 ZINC001360837786 1065948903 /nfs/dbraw/zinc/94/89/03/1065948903.db2.gz WCRIGWZAMHCUJB-QGZVFWFLSA-N 0 0 461.010 4.677 20 0 JJADRN CC1(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCCC1 ZINC001360837817 1065949143 /nfs/dbraw/zinc/94/91/43/1065949143.db2.gz WGUVVZPVXBISRG-OAHLLOKOSA-N 0 0 469.939 4.684 20 0 JJADRN CCOCn1nc(C)c(CC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c1C ZINC001440557748 1065949031 /nfs/dbraw/zinc/94/90/31/1065949031.db2.gz GYZBEDOBZLMHKC-UHFFFAOYSA-N 0 0 459.344 4.625 20 0 JJADRN CC1(Cn2c(C3CC3)nnc2N(CCO)Cc2cc(Br)ccc2F)CCCC1 ZINC001360838542 1065949599 /nfs/dbraw/zinc/94/95/99/1065949599.db2.gz KTGYXCMDJBBGBL-UHFFFAOYSA-N 0 0 451.384 4.636 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC001360840500 1065949920 /nfs/dbraw/zinc/94/99/20/1065949920.db2.gz QNVBFBPHJYDEGR-FQEVSTJZSA-N 0 0 453.004 4.553 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1cncc(I)c1 ZINC001360840102 1065949952 /nfs/dbraw/zinc/94/99/52/1065949952.db2.gz HJESNNSLKYVGBJ-MRXNPFEDSA-N 0 0 458.727 4.865 20 0 JJADRN CC[C@@](O)(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001440564023 1065950251 /nfs/dbraw/zinc/95/02/51/1065950251.db2.gz LHKPRIYFEOTALP-HSZRJFAPSA-N 0 0 458.967 4.767 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 ZINC001360840846 1065950264 /nfs/dbraw/zinc/95/02/64/1065950264.db2.gz VQSPPAWJIHKCNR-UHFFFAOYSA-N 0 0 450.520 4.536 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1 ZINC001360840820 1065950278 /nfs/dbraw/zinc/95/02/78/1065950278.db2.gz CPEZQWZPGSRJNQ-OAHLLOKOSA-N 0 0 450.967 4.835 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3cncc(Cl)c3)cc2)s1 ZINC001360840886 1065950291 /nfs/dbraw/zinc/95/02/91/1065950291.db2.gz DQYIXWYHYDBQOD-UHFFFAOYSA-N 0 0 450.745 4.506 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001440566361 1065950468 /nfs/dbraw/zinc/95/04/68/1065950468.db2.gz LVPCBNVYJHSITR-UHFFFAOYSA-N 0 0 456.586 4.982 20 0 JJADRN C[C@]1(Cn2c(Cc3ccsc3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCO1 ZINC001360841775 1065950865 /nfs/dbraw/zinc/95/08/65/1065950865.db2.gz LJNLLHOHGHWLRB-MRXNPFEDSA-N 0 0 468.467 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)CCCC2)CC1 ZINC001360841759 1065950925 /nfs/dbraw/zinc/95/09/25/1065950925.db2.gz KXTPMPCPPDQRDJ-UHFFFAOYSA-N 0 0 475.584 4.785 20 0 JJADRN CC[C@@](C)(NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1nccs1 ZINC001360842894 1065951307 /nfs/dbraw/zinc/95/13/07/1065951307.db2.gz HGZCJWVKSAQSRB-CQSZACIVSA-N 0 0 454.255 4.822 20 0 JJADRN CC[C@@](C)(NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)c1nccs1 ZINC001360843141 1065951802 /nfs/dbraw/zinc/95/18/02/1065951802.db2.gz MJVLRJKOLDBYRS-LJQANCHMSA-N 0 0 450.358 4.836 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CCO1 ZINC001360843216 1065951818 /nfs/dbraw/zinc/95/18/18/1065951818.db2.gz DTAIJAUHTKLRHF-BJKOFHAPSA-N 0 0 463.022 4.721 20 0 JJADRN C[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCS1 ZINC001360843481 1065952291 /nfs/dbraw/zinc/95/22/91/1065952291.db2.gz JXXDFVALBHXACV-DYESRHJHSA-N 0 0 454.562 4.964 20 0 JJADRN C[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCS1 ZINC001360843483 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CC(C)(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CC1(C)CCOCC1 ZINC001360846056 1065954161 /nfs/dbraw/zinc/95/41/61/1065954161.db2.gz QSOALTWKHSDMIF-UHFFFAOYSA-N 0 0 465.564 4.738 20 0 JJADRN CC(C)(CC(=O)Nc1cc(Br)ccc1N1CCOCC1)CC(=O)c1ccccc1 ZINC001440612483 1065954191 /nfs/dbraw/zinc/95/41/91/1065954191.db2.gz BPJFUQHOVWXWPT-UHFFFAOYSA-N 0 0 459.384 4.914 20 0 JJADRN CC(C)(C)OC(=O)NCC1CCN(c2nnc(COc3ccccc3F)n2CC2(C)CC2)CC1 ZINC001360846086 1065954194 /nfs/dbraw/zinc/95/41/94/1065954194.db2.gz RLKXWMSRFOQQHN-UHFFFAOYSA-N 0 0 473.593 4.537 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)ccc1C ZINC001360846461 1065954368 /nfs/dbraw/zinc/95/43/68/1065954368.db2.gz FJHQDMNZHJPDNZ-UHFFFAOYSA-N 0 0 450.604 4.931 20 0 JJADRN CSc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)c1 ZINC001440615837 1065954698 /nfs/dbraw/zinc/95/46/98/1065954698.db2.gz BUTDBKLCRJBMGZ-SFHVURJKSA-N 0 0 451.361 4.944 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCOC3)n2C/C=C/c2ccccc2)CC1 ZINC001360847148 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XJSKBAYDPVWFOK-NRFANRHFSA-N 0 0 455.400 4.541 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)c(Br)[nH]2)c(OC)c1 ZINC001440715611 1065971054 /nfs/dbraw/zinc/97/10/54/1065971054.db2.gz PMPIZBYEGQLTTP-CQSZACIVSA-N 0 0 458.150 4.534 20 0 JJADRN CC1=C(Br)CN(c2nnc(C3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360853872 1065971335 /nfs/dbraw/zinc/97/13/35/1065971335.db2.gz PPKBLZPIMALASH-OAHLLOKOSA-N 0 0 482.467 4.976 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001360853807 1065971370 /nfs/dbraw/zinc/97/13/70/1065971370.db2.gz OPOCEUWCVBQDGJ-IRXDYDNUSA-N 0 0 479.394 4.658 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccccc3F)n2CCCOC(C)C)CC1 ZINC001360853890 1065971738 /nfs/dbraw/zinc/97/17/38/1065971738.db2.gz MFHPRHDKIIUOOC-UHFFFAOYSA-N 0 0 451.384 4.702 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)Br)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440733331 1065971918 /nfs/dbraw/zinc/97/19/18/1065971918.db2.gz KLASSGPPTAXJPS-FZKQIMNGSA-N 0 0 457.777 4.561 20 0 JJADRN 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BYTWJCALOIIWLV-SFHVURJKSA-N 0 0 492.418 4.870 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)=C(Br)C3)n2C[C@H]2CCCOC2)c1 ZINC001360857722 1065975779 /nfs/dbraw/zinc/97/57/79/1065975779.db2.gz KKDFDOKVCJFTEO-LJQANCHMSA-N 0 0 475.431 4.780 20 0 JJADRN O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001440752511 1065976042 /nfs/dbraw/zinc/97/60/42/1065976042.db2.gz BKSKCGWHGVLELG-IBGZPJMESA-N 0 0 457.885 4.695 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)C)cs2)CC1 ZINC001360857759 1065976085 /nfs/dbraw/zinc/97/60/85/1065976085.db2.gz LQAAEETUUNKABK-UHFFFAOYSA-N 0 0 470.643 4.504 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360857807 1065976132 /nfs/dbraw/zinc/97/61/32/1065976132.db2.gz NNFGSOJUIZWLBN-LAUBAEHRSA-N 0 0 475.431 4.862 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360857774 1065976165 /nfs/dbraw/zinc/97/61/65/1065976165.db2.gz MEYKFKOXEDPFOU-DENIHFKCSA-N 0 0 471.646 4.543 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001360857778 1065976194 /nfs/dbraw/zinc/97/61/94/1065976194.db2.gz MFGOGYOSZUOKIS-UHFFFAOYSA-N 0 0 461.488 4.588 20 0 JJADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 ZINC001440755158 1065976386 /nfs/dbraw/zinc/97/63/86/1065976386.db2.gz QBRCSUFCRZLYSM-UHFFFAOYSA-N 0 0 455.285 4.709 20 0 JJADRN COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc1Br ZINC001440754241 1065976403 /nfs/dbraw/zinc/97/64/03/1065976403.db2.gz QFLIUCJRVSYWMD-UHFFFAOYSA-N 0 0 456.292 4.938 20 0 JJADRN Cc1ccc(SCc2nnc(N3CCC(C)=C(Br)C3)n2CC[C@H]2COCCO2)cc1 ZINC001360857870 1065976494 /nfs/dbraw/zinc/97/64/94/1065976494.db2.gz PIJXXWNNPJTLQN-SFHVURJKSA-N 0 0 493.471 4.563 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCc2nccs2)cc1 ZINC001360857933 1065976513 /nfs/dbraw/zinc/97/65/13/1065976513.db2.gz RIMOTHPESUVXSA-UHFFFAOYSA-N 0 0 474.428 4.744 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001360857993 1065976821 /nfs/dbraw/zinc/97/68/21/1065976821.db2.gz UKZNDEZEZTWGHX-CYBMUJFWSA-N 0 0 492.365 4.727 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc(Cl)cn2)CC1 ZINC001360858032 1065976933 /nfs/dbraw/zinc/97/69/33/1065976933.db2.gz WBSAFGLGGDZXET-SJLPKXTDSA-N 0 0 497.869 4.626 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001440756842 1065977175 /nfs/dbraw/zinc/97/71/75/1065977175.db2.gz SIHGGPJIRVMVHG-QGZVFWFLSA-N 0 0 453.395 4.563 20 0 JJADRN COc1cc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(Br)c1O ZINC001440760996 1065977562 /nfs/dbraw/zinc/97/75/62/1065977562.db2.gz ZORYQVIPQALNKY-VOTSOKGWSA-N 0 0 453.336 4.974 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)CC1 ZINC001360858414 1065977807 /nfs/dbraw/zinc/97/78/07/1065977807.db2.gz KJSUWVCBXWFPAX-UHFFFAOYSA-N 0 0 492.443 4.727 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001440776934 1065978396 /nfs/dbraw/zinc/97/83/96/1065978396.db2.gz BFGRTZPZAVOPCC-HDICACEKSA-N 0 0 457.640 4.741 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001360858838 1065978608 /nfs/dbraw/zinc/97/86/08/1065978608.db2.gz XZCAUIBMESNHDX-HOTGVXAUSA-N 0 0 492.020 4.789 20 0 JJADRN COc1cccc([C@H]2CCCN2C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c1 ZINC001440785262 1065978790 /nfs/dbraw/zinc/97/87/90/1065978790.db2.gz GVSGAAWJNIUXKH-XMMPIXPASA-N 0 0 450.579 4.681 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)c1C ZINC001360859412 1065978917 /nfs/dbraw/zinc/97/89/17/1065978917.db2.gz OVASNRFCJFEUBP-UHFFFAOYSA-N 0 0 451.542 4.922 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360859592 1065979001 /nfs/dbraw/zinc/97/90/01/1065979001.db2.gz TXGOUBTVPDFVEF-NVXWUHKLSA-N 0 0 454.792 4.881 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)Oc1ccc(Cl)cc1 ZINC001360859381 1065979010 /nfs/dbraw/zinc/97/90/10/1065979010.db2.gz NPURPEWYOHDOLW-OAHLLOKOSA-N 0 0 452.776 4.734 20 0 JJADRN Cc1c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001360859565 1065979020 /nfs/dbraw/zinc/97/90/20/1065979020.db2.gz STZQJCIRVQODET-CYBMUJFWSA-N 0 0 452.864 4.504 20 0 JJADRN Cc1ccc(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1I ZINC001360860323 1065979056 /nfs/dbraw/zinc/97/90/56/1065979056.db2.gz JFRGVJGDOYWZPN-HNNXBMFYSA-N 0 0 452.336 4.738 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001360861652 1065979390 /nfs/dbraw/zinc/97/93/90/1065979390.db2.gz PMISMIWHAIURMF-LJQANCHMSA-N 0 0 463.607 4.849 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@@H](F)C2)c1C ZINC001360862226 1065980257 /nfs/dbraw/zinc/98/02/57/1065980257.db2.gz JGWZKEIAFBRVML-IEBWSBKVSA-N 0 0 470.980 4.823 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](c2cccnc2)C(C)C)c1C ZINC001360862291 1065980276 /nfs/dbraw/zinc/98/02/76/1065980276.db2.gz LRBQDPRZGYIXRD-DEOSSOPVSA-N 0 0 483.620 4.867 20 0 JJADRN COc1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)cc1OCc1ccncc1 ZINC001440803122 1065980278 /nfs/dbraw/zinc/98/02/78/1065980278.db2.gz IREFNCLGWSWSHY-OAQYLSRUSA-N 0 0 455.555 4.643 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)cc1OCc1ccncc1 ZINC001440803116 1065980401 /nfs/dbraw/zinc/98/04/01/1065980401.db2.gz IREFNCLGWSWSHY-NRFANRHFSA-N 0 0 455.555 4.643 20 0 JJADRN CCC(CC)[C@H](CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)N1CCOCC1 ZINC001440811739 1065980415 /nfs/dbraw/zinc/98/04/15/1065980415.db2.gz RUCLSZSFLLWAHT-SANMLTNESA-N 0 0 451.586 4.696 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001360862855 1065981832 /nfs/dbraw/zinc/98/18/32/1065981832.db2.gz YHUWCSUBOZZSFN-ROUUACIJSA-N 0 0 486.016 4.714 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCCC2(F)F)c1C ZINC001360862840 1065981948 /nfs/dbraw/zinc/98/19/48/1065981948.db2.gz YDCBVEKEOMBVJF-LJQANCHMSA-N 0 0 468.552 4.857 20 0 JJADRN C[C@@H](CNC(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1)Oc1ccc(Br)cc1 ZINC001360863304 1065981961 /nfs/dbraw/zinc/98/19/61/1065981961.db2.gz PJRJLCWJKNQIJN-AWEZNQCLSA-N 0 0 451.324 4.536 20 0 JJADRN C[C@@H](CC(=O)NCc1ccc(OCC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001440827324 1065981907 /nfs/dbraw/zinc/98/19/07/1065981907.db2.gz OXPKZIYNZDUOJY-INIZCTEOSA-N 0 0 458.521 4.917 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)C(C)C)cc1 ZINC001440824680 1065982035 /nfs/dbraw/zinc/98/20/35/1065982035.db2.gz ALDCQJXMHBXMSR-FPOVZHCZSA-N 0 0 452.498 4.958 20 0 JJADRN CC(C)(C)C(=O)N1CCO[C@H](C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)C1 ZINC001360863928 1065982251 /nfs/dbraw/zinc/98/22/51/1065982251.db2.gz HIHZZDYFDJZNSC-DEOSSOPVSA-N 0 0 455.643 4.616 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1Cl ZINC001440832474 1065982474 /nfs/dbraw/zinc/98/24/74/1065982474.db2.gz HCTBATDOFYUBEI-UHFFFAOYSA-N 0 0 457.958 4.773 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1NC(=O)Nc1ccccc1 ZINC001440837050 1065983235 /nfs/dbraw/zinc/98/32/35/1065983235.db2.gz VDOORVBAAMOAAN-UHFFFAOYSA-N 0 0 457.534 4.590 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C2CC(C(C)(C)C)C2)c1C ZINC001360864704 1065983192 /nfs/dbraw/zinc/98/31/92/1065983192.db2.gz GKCANSMJUSJNHK-UHFFFAOYSA-N 0 0 460.626 4.953 20 0 JJADRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001440853401 1065983501 /nfs/dbraw/zinc/98/35/01/1065983501.db2.gz OYYYMOOOQDPSCG-UHFFFAOYSA-N 0 0 458.584 4.824 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001440860660 1065983569 /nfs/dbraw/zinc/98/35/69/1065983569.db2.gz AMUQVUUJZMNQAF-CYBMUJFWSA-N 0 0 457.789 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCc1ccccc1C ZINC001545936080 1065983743 /nfs/dbraw/zinc/98/37/43/1065983743.db2.gz BCMSGXKFORMVDZ-UHFFFAOYSA-N 0 0 467.658 4.677 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[C@H]2CCCCO2)c1C ZINC001360865125 1065983817 /nfs/dbraw/zinc/98/38/17/1065983817.db2.gz SDNAWOSENISMMV-JOCHJYFZSA-N 0 0 453.631 4.662 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001440863381 1065984082 /nfs/dbraw/zinc/98/40/82/1065984082.db2.gz BFOWRNCFIRUYKN-NTKDMRAZSA-N 0 0 455.601 4.531 20 0 JJADRN COc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(F)c4SC)CC3)cs2)cc1 ZINC001440861331 1065984098 /nfs/dbraw/zinc/98/40/98/1065984098.db2.gz DWIFTWSOOMHLQZ-UHFFFAOYSA-N 0 0 457.596 4.638 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001440862808 1065984125 /nfs/dbraw/zinc/98/41/25/1065984125.db2.gz NXUVPPOYFDJNTB-CQSZACIVSA-N 0 0 451.796 4.749 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)c2cccs2)c1C ZINC001360865345 1065984352 /nfs/dbraw/zinc/98/43/52/1065984352.db2.gz ZBHVVLHHOSITIA-UHFFFAOYSA-N 0 0 451.640 4.962 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360865501 1065984769 /nfs/dbraw/zinc/98/47/69/1065984769.db2.gz CPXLKXFAHBRXEU-PMACEKPBSA-N 0 0 453.587 4.598 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001440864864 1065984848 /nfs/dbraw/zinc/98/48/48/1065984848.db2.gz OUDPQHDUCUDCMP-UHFFFAOYSA-N 0 0 451.792 4.768 20 0 JJADRN Cn1cccc1[C@H]1CCCCCN1C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001440868150 1065985720 /nfs/dbraw/zinc/98/57/20/1065985720.db2.gz QLBCKFJXURZFAE-UTKZUKDTSA-N 0 0 451.514 4.919 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CCOc2ncccc2F)c1C ZINC001360865825 1065986115 /nfs/dbraw/zinc/98/61/15/1065986115.db2.gz JCRCJNGSOKOMGG-MRXNPFEDSA-N 0 0 467.467 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCSC3)n2CCC(=O)NC2CCCCC2)c1C ZINC001360865965 1065986357 /nfs/dbraw/zinc/98/63/57/1065986357.db2.gz KPDRENYAFQURPV-IRLDBZIGSA-N 0 0 485.698 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545936144 1065986368 /nfs/dbraw/zinc/98/63/68/1065986368.db2.gz CQZXDWCVCJZDLJ-OAQYLSRUSA-N 0 0 467.658 4.848 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C3CCC(C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001360866060 1065987034 /nfs/dbraw/zinc/98/70/34/1065987034.db2.gz MIHXTQBFGRXZKL-ZCDLSOSASA-N 0 0 481.563 4.728 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2CCNC(=O)c2ccco2)c1C ZINC001360866023 1065987043 /nfs/dbraw/zinc/98/70/43/1065987043.db2.gz LMYQWOCGZCLELR-LJQANCHMSA-N 0 0 453.587 4.540 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)cc1 ZINC001440877298 1065988150 /nfs/dbraw/zinc/98/81/50/1065988150.db2.gz YOZLLVUNFUEDPZ-UHFFFAOYSA-N 0 0 459.546 4.862 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCN2CCOC[C@@H]2C)c1C ZINC001360866591 1065989222 /nfs/dbraw/zinc/98/92/22/1065989222.db2.gz WACIRGSPKYMSHQ-NZRJUOQRSA-N 0 0 469.674 4.771 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC001440883578 1065989257 /nfs/dbraw/zinc/98/92/57/1065989257.db2.gz KRHGZBOKGIFXLJ-HYBUGGRVSA-N 0 0 450.535 4.664 20 0 JJADRN Cc1oc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1CN1C(=O)c2ccccc2C1=O ZINC001440882960 1065989274 /nfs/dbraw/zinc/98/92/74/1065989274.db2.gz VDYOZFAKMUTVIS-UHFFFAOYSA-N 0 0 456.420 4.675 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2cnnn2C)c1C ZINC001360866644 1065989832 /nfs/dbraw/zinc/98/98/32/1065989832.db2.gz WSMPQZASLGIUNW-INIZCTEOSA-N 0 0 472.018 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1Cc1cccc(OCC(C)C)c1 ZINC001545936604 1065990481 /nfs/dbraw/zinc/99/04/81/1065990481.db2.gz PHIUWRBNOZLDEP-UHFFFAOYSA-N 0 0 497.684 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001545936554 1065990527 /nfs/dbraw/zinc/99/05/27/1065990527.db2.gz OIENZPBYQCSVCD-NFBKMPQASA-N 0 0 467.658 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(F)F ZINC001440894088 1065990799 /nfs/dbraw/zinc/99/07/99/1065990799.db2.gz MSBYJQSVUGSAPH-GHTZIAJQSA-N 0 0 457.521 4.965 20 0 JJADRN COc1cccc([C@@H](CNC(=O)COCc2cccc(C)c2)c2c[nH]c3ccccc32)c1OC ZINC001440892752 1065990885 /nfs/dbraw/zinc/99/08/85/1065990885.db2.gz IDCIIUUALICJIQ-XMMPIXPASA-N 0 0 458.558 4.958 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(F)F ZINC001440894094 1065991030 /nfs/dbraw/zinc/99/10/30/1065991030.db2.gz MSBYJQSVUGSAPH-WIYYLYMNSA-N 0 0 457.521 4.965 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ccc(Br)o3)n2Cc2ccn(C)n2)c1C ZINC001360866905 1065990983 /nfs/dbraw/zinc/99/09/83/1065990983.db2.gz ZOHVCTVBRNKQRI-QGZVFWFLSA-N 0 0 499.413 4.809 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360868234 1065991259 /nfs/dbraw/zinc/99/12/59/1065991259.db2.gz YZSWEBZMITUKOF-OAQYLSRUSA-N 0 0 458.400 4.696 20 0 JJADRN Cc1c(Br)ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c1F ZINC001360868067 1065991286 /nfs/dbraw/zinc/99/12/86/1065991286.db2.gz RTPYPHDUFKNNEI-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccc(F)cn2)c1C ZINC001360868413 1065992131 /nfs/dbraw/zinc/99/21/31/1065992131.db2.gz DNFDJLMIRJGCIO-UGKGYDQZSA-N 0 0 453.562 4.623 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 ZINC001440897491 1065992114 /nfs/dbraw/zinc/99/21/14/1065992114.db2.gz ILEYQABNLYWVJZ-QBFSEMIESA-N 0 0 451.479 4.802 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001440899309 1065992321 /nfs/dbraw/zinc/99/23/21/1065992321.db2.gz MHBAVBFFAFEICD-IBGZPJMESA-N 0 0 456.543 4.720 20 0 JJADRN COc1cccc([C@H](CNC(=O)c2cc(F)cc(F)c2N)c2c[nH]c3ccccc32)c1OC ZINC001440899353 1065992511 /nfs/dbraw/zinc/99/25/11/1065992511.db2.gz YSLPFSGRNZINNV-IBGZPJMESA-N 0 0 451.473 4.607 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001440902141 1065992925 /nfs/dbraw/zinc/99/29/25/1065992925.db2.gz YOUQZRUJLIHPTB-NSHDSACASA-N 0 0 457.699 4.598 20 0 JJADRN CNc1cc(Cl)ccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440919321 1065993324 /nfs/dbraw/zinc/99/33/24/1065993324.db2.gz FBKGOVSAXUMPQQ-LICLKQGHSA-N 0 0 450.347 4.501 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360868743 1065993806 /nfs/dbraw/zinc/99/38/06/1065993806.db2.gz BIIVTXCHFISMQE-MZYLBHOOSA-N 0 0 469.674 4.628 20 0 JJADRN CC(C)c1ccccc1OCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440920330 1065993876 /nfs/dbraw/zinc/99/38/76/1065993876.db2.gz KHFVTNZJKNKXBM-MOSHPQCFSA-N 0 0 458.967 4.695 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440922192 1065994018 /nfs/dbraw/zinc/99/40/18/1065994018.db2.gz NQLNBKNBSNMOOU-HJHGFDQJSA-N 0 0 458.967 4.659 20 0 JJADRN COc1ccc(Cl)cc1CN(C)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001440920109 1065994030 /nfs/dbraw/zinc/99/40/30/1065994030.db2.gz JNIGSCNIXZJMDH-HSZRJFAPSA-N 0 0 452.938 4.975 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440922200 1065994510 /nfs/dbraw/zinc/99/45/10/1065994510.db2.gz NQLNBKNBSNMOOU-SQVRNEIYSA-N 0 0 458.967 4.659 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3ncnn3CC(F)F)n2CC2CCCC2)c1C ZINC001360868876 1065994969 /nfs/dbraw/zinc/99/49/69/1065994969.db2.gz LBOYRIUMROCOSI-GOSISDBHSA-N 0 0 473.572 4.718 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC2CC2)c1C ZINC001360868972 1065995496 /nfs/dbraw/zinc/99/54/96/1065995496.db2.gz LKUYEYFCWASUOO-INIZCTEOSA-N 0 0 462.520 4.834 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCc3nccs3)n2C[C@H]2CCO[C@H](C)C2)c1C ZINC001360868980 1065995576 /nfs/dbraw/zinc/99/55/76/1065995576.db2.gz LNFYUJHXXNTXKZ-NRSPTQNISA-N 0 0 469.655 4.985 20 0 JJADRN COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1 ZINC001440939355 1065995839 /nfs/dbraw/zinc/99/58/39/1065995839.db2.gz JMZKETAXXZIPHS-UHFFFAOYSA-N 0 0 454.527 4.525 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3C)c3ccccc3)CC2)cs1 ZINC001440940045 1065995867 /nfs/dbraw/zinc/99/58/67/1065995867.db2.gz MLRIPJAXBGNRSQ-QHCPKHFHSA-N 0 0 456.011 4.878 20 0 JJADRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C)ccc1SC1CCCC1 ZINC001440948580 1065996154 /nfs/dbraw/zinc/99/61/54/1065996154.db2.gz TUDROIYHOXQHIV-UHFFFAOYSA-N 0 0 454.592 4.902 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)F)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360869175 1065996475 /nfs/dbraw/zinc/99/64/75/1065996475.db2.gz MOLLOXQSSVEUEA-LJQANCHMSA-N 0 0 477.600 4.917 20 0 JJADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3(Cc4cccc(Cl)c4)CC3)C2=O)cc1 ZINC001440966894 1065997419 /nfs/dbraw/zinc/99/74/19/1065997419.db2.gz KAPOULKCYHQACN-XSFVSMFZSA-N 0 0 454.979 4.824 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1c[nH]cc1C1CC1 ZINC001440971177 1065997677 /nfs/dbraw/zinc/99/76/77/1065997677.db2.gz SLIKPTILRRTCLA-REZTVBANSA-N 0 0 450.347 4.665 20 0 JJADRN CCO[C@@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)C(C)C ZINC001440974410 1065998319 /nfs/dbraw/zinc/99/83/19/1065998319.db2.gz YMNUOWAPMSFRNM-UWNXQOIWSA-N 0 0 459.395 4.597 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccc(F)c(F)c1 ZINC001440973485 1065998337 /nfs/dbraw/zinc/99/83/37/1065998337.db2.gz WLPQLHPJBUHOIB-LZYBPNLTSA-N 0 0 457.285 4.738 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3ccccn3)n2C[C@H]2CSCCS2)c1C ZINC001360869697 1065998620 /nfs/dbraw/zinc/99/86/20/1065998620.db2.gz QIJURHZTGAIGGM-FPOVZHCZSA-N 0 0 469.680 4.915 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CCC[C@@H](O)C2)c1C ZINC001360869583 1065998711 /nfs/dbraw/zinc/99/87/11/1065998711.db2.gz ITVUXEGTPFTQNU-YPAWHYETSA-N 0 0 458.647 4.837 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2nccn2C(F)F)c1C ZINC001360869763 1065999294 /nfs/dbraw/zinc/99/92/94/1065999294.db2.gz RECNAOPMAICHMR-OALUTQOASA-N 0 0 474.556 4.538 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)CCOCC1 ZINC001545937198 1065999315 /nfs/dbraw/zinc/99/93/15/1065999315.db2.gz GOSQVTIUKLQMIS-FYYLOGMGSA-N 0 0 458.643 4.958 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(NCc4ccccn4)c3)c2)c1C ZINC001441008320 1065999826 /nfs/dbraw/zinc/99/98/26/1065999826.db2.gz HGOOYGKXAFPHJQ-UHFFFAOYSA-N 0 0 455.518 4.617 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)C(C)(C)C ZINC001441006437 1065999891 /nfs/dbraw/zinc/99/98/91/1065999891.db2.gz NPVSXWDDSOPAMW-LJQANCHMSA-N 0 0 458.628 4.974 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360870006 1066000687 /nfs/dbraw/zinc/00/06/87/1066000687.db2.gz LPSQRRKQNIDNBH-MHECFPHRSA-N 0 0 496.574 4.790 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001360870033 1066000844 /nfs/dbraw/zinc/00/08/44/1066000844.db2.gz MGUDZMWWMQQERD-SFHVURJKSA-N 0 0 493.574 4.896 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@](C)(O)C2CC2)c1C ZINC001360870098 1066001163 /nfs/dbraw/zinc/00/11/63/1066001163.db2.gz UNJTUDAHQNPERH-HRFSGMKKSA-N 0 0 478.641 4.746 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001441018285 1066001280 /nfs/dbraw/zinc/00/12/80/1066001280.db2.gz NODBBCGJBYVJSD-UHFFFAOYSA-N 0 0 459.255 4.528 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360870207 1066001667 /nfs/dbraw/zinc/00/16/67/1066001667.db2.gz NMDVQZMGYVDUCC-ZVDOUQERSA-N 0 0 499.656 4.515 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001441025141 1066001716 /nfs/dbraw/zinc/00/17/16/1066001716.db2.gz HGXOZRNKKDMRSY-HYBUGGRVSA-N 0 0 456.945 4.799 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCCCCC[C@H]43)n2CCNC(=O)C(C)C)c1C ZINC001360870420 1066002051 /nfs/dbraw/zinc/00/20/51/1066002051.db2.gz PFUDCVQIPKLVFL-DNVJHFABSA-N 0 0 467.658 4.966 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)c(OC)c1 ZINC001441028605 1066002105 /nfs/dbraw/zinc/00/21/05/1066002105.db2.gz XKBVAEFREGNPHP-UHFFFAOYSA-N 0 0 459.546 4.938 20 0 JJADRN COc1c(N)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc(Cl)c1Br ZINC001441029893 1066002117 /nfs/dbraw/zinc/00/21/17/1066002117.db2.gz PIJGHEYADJNQPY-UHFFFAOYSA-N 0 0 453.642 4.887 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3c(Cl)cc(F)cc3Br)CC2)c1 ZINC001441040159 1066002638 /nfs/dbraw/zinc/00/26/38/1066002638.db2.gz ILMLSHTZUBEJRA-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC001441044718 1066003040 /nfs/dbraw/zinc/00/30/40/1066003040.db2.gz PAIMCUSOVLMHPC-UHFFFAOYSA-N 0 0 454.246 4.806 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)NCCCN1CCc2ccccc21 ZINC001441044501 1066003106 /nfs/dbraw/zinc/00/31/06/1066003106.db2.gz MDHMJFCPWZQZBZ-UHFFFAOYSA-N 0 0 455.318 4.970 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)=NN1c1ccccc1 ZINC001441048510 1066003967 /nfs/dbraw/zinc/00/39/67/1066003967.db2.gz MADOJVZFOAGVNX-VXKWHMMOSA-N 0 0 453.970 4.980 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCn4cccc4[C@H]3C)c2)cc1C ZINC001441054955 1066004684 /nfs/dbraw/zinc/00/46/84/1066004684.db2.gz OODUIHKQUMTEKI-QGZVFWFLSA-N 0 0 457.983 4.776 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360871442 1066005177 /nfs/dbraw/zinc/00/51/77/1066005177.db2.gz WWVGNWFZYSCVQY-RXVVDRJESA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@@](C)=O)CC2)c1C ZINC001360871456 1066005238 /nfs/dbraw/zinc/00/52/38/1066005238.db2.gz XENUJDGAQOZMGT-NLINSNCNSA-N 0 0 470.639 4.954 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCSCC(F)(F)F)c1C ZINC001360871360 1066005248 /nfs/dbraw/zinc/00/52/48/1066005248.db2.gz WMKJFGIFESXBQF-FCJLEINESA-N 0 0 498.615 4.928 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC2(O)CCOCC2)c1C ZINC001360871654 1066005550 /nfs/dbraw/zinc/00/55/50/1066005550.db2.gz YVGUZNDRYYPSFJ-IBGZPJMESA-N 0 0 494.558 4.665 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC2CC2)c1C ZINC001360871489 1066005563 /nfs/dbraw/zinc/00/55/63/1066005563.db2.gz XPFZEJWVMIGQPE-SFTDATJTSA-N 0 0 467.658 4.822 20 0 JJADRN O=C(NC[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001441076186 1066006111 /nfs/dbraw/zinc/00/61/11/1066006111.db2.gz ICOAIXBYFJZSPD-LJQANCHMSA-N 0 0 454.979 4.991 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1c(C)c(C)sc1Br ZINC001360872756 1066006289 /nfs/dbraw/zinc/00/62/89/1066006289.db2.gz ZYXXLOSLBULMJY-HNNXBMFYSA-N 0 0 451.386 4.688 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001360872548 1066006338 /nfs/dbraw/zinc/00/63/38/1066006338.db2.gz TVIPTRKEAGTQOH-KRWDZBQOSA-N 0 0 457.477 4.532 20 0 JJADRN Cc1cccc([C@H]2CCCCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC001360872190 1066006485 /nfs/dbraw/zinc/00/64/85/1066006485.db2.gz JRFRRANDUODUFH-HSZRJFAPSA-N 0 0 458.599 4.679 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC001441083201 1066006653 /nfs/dbraw/zinc/00/66/53/1066006653.db2.gz UUAAYEOSEKWMPK-CROWOQKBSA-N 0 0 474.388 4.585 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1CC1(CCOC)CCCCC1 ZINC001545938212 1066006924 /nfs/dbraw/zinc/00/69/24/1066006924.db2.gz MYWJAIWRVBVSHL-UHFFFAOYSA-N 0 0 465.708 4.515 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cc2)c1 ZINC001441095384 1066006938 /nfs/dbraw/zinc/00/69/38/1066006938.db2.gz TXAIJMDNDQVYLR-UHFFFAOYSA-N 0 0 451.482 4.826 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2(C)CCC2)c1C ZINC001360872887 1066007260 /nfs/dbraw/zinc/00/72/60/1066007260.db2.gz APOQHGIUKCJMOL-LEWJYISDSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC2(O)CCC2)c1C ZINC001360872930 1066007599 /nfs/dbraw/zinc/00/75/99/1066007599.db2.gz CPNYFLYBFJLAJK-HXUWFJFHSA-N 0 0 456.631 4.734 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCc1ccc(Cl)cc1 ZINC001545938365 1066007917 /nfs/dbraw/zinc/00/79/17/1066007917.db2.gz RXUXMFXXDOZSTM-HXUWFJFHSA-N 0 0 464.079 4.670 20 0 JJADRN C[C@@H](CO)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl ZINC001441103270 1066007936 /nfs/dbraw/zinc/00/79/36/1066007936.db2.gz SORZNNRRJKMSGG-HNNXBMFYSA-N 0 0 450.922 4.812 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1C ZINC001360873042 1066008075 /nfs/dbraw/zinc/00/80/75/1066008075.db2.gz BOJTUAWDIWBXDC-NTOOTBGVSA-N 0 0 470.658 4.981 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1c(F)cccc1Cl ZINC001441118796 1066008752 /nfs/dbraw/zinc/00/87/52/1066008752.db2.gz UCQQCCKDWOEEIJ-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1 ZINC001441119599 1066009295 /nfs/dbraw/zinc/00/92/95/1066009295.db2.gz ZLKAWODDRLFWLO-QGZVFWFLSA-N 0 0 456.612 4.840 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2CCCC2)c1C ZINC001360873491 1066009436 /nfs/dbraw/zinc/00/94/36/1066009436.db2.gz HWQZYMMJJBUANO-HXUWFJFHSA-N 0 0 453.631 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C[C@H]1[C@H]1CCCO1 ZINC001441123386 1066009540 /nfs/dbraw/zinc/00/95/40/1066009540.db2.gz FEPIWMOTZQLZLB-ZOCIIQOWSA-N 0 0 457.398 4.804 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC(C)C)c1C ZINC001360873539 1066009989 /nfs/dbraw/zinc/00/99/89/1066009989.db2.gz IPROWDUQRJAOKK-OAQYLSRUSA-N 0 0 455.647 4.776 20 0 JJADRN CN(Cc1cccc(Br)c1)C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001441145675 1066010556 /nfs/dbraw/zinc/01/05/56/1066010556.db2.gz FPLWAXDXRPAVES-UHFFFAOYSA-N 0 0 459.384 4.948 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CCSC2)c1C ZINC001360873885 1066010930 /nfs/dbraw/zinc/01/09/30/1066010930.db2.gz KXUFJJRODJTIPQ-ZHRRBRCNSA-N 0 0 483.465 4.802 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360873944 1066011488 /nfs/dbraw/zinc/01/14/88/1066011488.db2.gz LPALRDWHAMZYOT-HKBOAZHASA-N 0 0 478.584 4.710 20 0 JJADRN CCN(CC)C(=O)c1ccc(CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 ZINC001441174768 1066011481 /nfs/dbraw/zinc/01/14/81/1066011481.db2.gz TUYQAWWADNCMOY-QFIPXVFZSA-N 0 0 459.631 4.649 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360874261 1066011929 /nfs/dbraw/zinc/01/19/29/1066011929.db2.gz NKMHGEUUJYOMID-IRLDBZIGSA-N 0 0 470.658 4.839 20 0 JJADRN CN(Cc1cccc(NC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C ZINC001441183905 1066012503 /nfs/dbraw/zinc/01/25/03/1066012503.db2.gz BVAMPIVJYMIZNP-UHFFFAOYSA-N 0 0 459.587 4.924 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001441184649 1066012675 /nfs/dbraw/zinc/01/26/75/1066012675.db2.gz RXWFWZCRVDGVRI-ZDUSSCGKSA-N 0 0 452.864 4.820 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4ccc(C(C)(C)C)s4)CC3)n2)cc1 ZINC001441184600 1066012694 /nfs/dbraw/zinc/01/26/94/1066012694.db2.gz FZEMHMDAPJOUQE-UHFFFAOYSA-N 0 0 452.624 4.795 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC2=CCCCC2)c1C ZINC001360874253 1066012719 /nfs/dbraw/zinc/01/27/19/1066012719.db2.gz LIRRAKQXZMVOJH-RBBKRZOGSA-N 0 0 451.615 4.627 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2NC(=O)CC2(C)C)c1C ZINC001360874304 1066013034 /nfs/dbraw/zinc/01/30/34/1066013034.db2.gz OAHNMGVCNAJXSJ-OXQOHEQNSA-N 0 0 492.451 4.849 20 0 JJADRN CCN(Cc1cccc(NC(=O)CCN2C(=O)CCc3ccccc32)c1)C(=O)OC(C)(C)C ZINC001441187609 1066013043 /nfs/dbraw/zinc/01/30/43/1066013043.db2.gz NVUFSFIATYFPBP-UHFFFAOYSA-N 0 0 451.567 4.752 20 0 JJADRN C[C@@](O)(C(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 ZINC001441186804 1066013101 /nfs/dbraw/zinc/01/31/01/1066013101.db2.gz LWUGXIMCCNWQGK-VWLOTQADSA-N 0 0 454.492 4.792 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2NC(=O)CC2(C)C)c1C ZINC001360874303 1066013150 /nfs/dbraw/zinc/01/31/50/1066013150.db2.gz OAHNMGVCNAJXSJ-OXJNMPFZSA-N 0 0 492.451 4.849 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC4(CNC(=O)C4)CC3)n2CC(C)(C)C(F)(F)F)c1C ZINC001360874630 1066014351 /nfs/dbraw/zinc/01/43/51/1066014351.db2.gz NQNDEPQUQHVIDS-GOSISDBHSA-N 0 0 493.574 4.730 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC001441192704 1066014688 /nfs/dbraw/zinc/01/46/88/1066014688.db2.gz ZLXFNPUPRHINII-UHFFFAOYSA-N 0 0 451.523 4.503 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874728 1066014880 /nfs/dbraw/zinc/01/48/80/1066014880.db2.gz OENHJXUBEOXPJW-FYYLOGMGSA-N 0 0 495.672 4.580 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@@H]2CCCCO2)c1C ZINC001360874750 1066015372 /nfs/dbraw/zinc/01/53/72/1066015372.db2.gz OJWQUZSRUIRDAL-RPWUZVMVSA-N 0 0 497.684 4.689 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CCCOC[C@H]2CCOC2)c1C ZINC001360874812 1066015404 /nfs/dbraw/zinc/01/54/04/1066015404.db2.gz URNPMMCXZAQTAL-LEWJYISDSA-N 0 0 478.584 4.714 20 0 JJADRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001441223860 1066016305 /nfs/dbraw/zinc/01/63/05/1066016305.db2.gz MJVUDEWTOGDRNI-PMACEKPBSA-N 0 0 458.580 4.551 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2cc3cccnc3cc2Br)cc1 ZINC001545939356 1066016330 /nfs/dbraw/zinc/01/63/30/1066016330.db2.gz ZFWIGMWYWFEZFI-UHFFFAOYSA-N 0 0 454.368 4.703 20 0 JJADRN O=C(Cc1c[nH]c2cnc(Cl)cc12)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441234489 1066017542 /nfs/dbraw/zinc/01/75/42/1066017542.db2.gz CFXUUWZLCFTVMT-KRWDZBQOSA-N 0 0 451.741 4.695 20 0 JJADRN Cn1cnnc1-c1cccc(NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)c1 ZINC001441237798 1066017788 /nfs/dbraw/zinc/01/77/88/1066017788.db2.gz DOICZDMHFWGDPC-XMMPIXPASA-N 0 0 456.546 4.759 20 0 JJADRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccnc(Cl)c2I)C2CC2)o1 ZINC001441236765 1066017946 /nfs/dbraw/zinc/01/79/46/1066017946.db2.gz FHZLUPRJDNNLGP-YGRLFVJLSA-N 0 0 456.711 4.861 20 0 JJADRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccnc(Cl)c2I)C2CC2)o1 ZINC001441236754 1066018057 /nfs/dbraw/zinc/01/80/57/1066018057.db2.gz FHZLUPRJDNNLGP-IINYFYTJSA-N 0 0 456.711 4.861 20 0 JJADRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccnc(Cl)c2I)C2CC2)o1 ZINC001441236759 1066018134 /nfs/dbraw/zinc/01/81/34/1066018134.db2.gz FHZLUPRJDNNLGP-QMTHXVAHSA-N 0 0 456.711 4.861 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC2([S@](C)=O)CC2)c1C ZINC001360875534 1066018271 /nfs/dbraw/zinc/01/82/71/1066018271.db2.gz VCNXHITZDSFNIU-AXZPFCHASA-N 0 0 484.588 4.725 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](Oc4ncccc4F)C3)n2CCC(C)(C)O)c1C ZINC001360875653 1066018656 /nfs/dbraw/zinc/01/86/56/1066018656.db2.gz WWDGCNKDRQLBNU-NHCUHLMSSA-N 0 0 497.615 4.778 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)N2CCOCC2)c1C ZINC001360875575 1066018714 /nfs/dbraw/zinc/01/87/14/1066018714.db2.gz VSIZBKWLJGDYRG-TYPHKJRUSA-N 0 0 495.590 4.534 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)N2CCOCC2)c1C ZINC001360875572 1066018756 /nfs/dbraw/zinc/01/87/56/1066018756.db2.gz VSIZBKWLJGDYRG-CEWLAPEOSA-N 0 0 495.590 4.534 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](Oc4ncccc4F)C3)n2CCC(C)(C)O)c1C ZINC001360875654 1066018983 /nfs/dbraw/zinc/01/89/83/1066018983.db2.gz WWDGCNKDRQLBNU-RTWAWAEBSA-N 0 0 497.615 4.778 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CCCCC2)c1C ZINC001360875710 1066019048 /nfs/dbraw/zinc/01/90/48/1066019048.db2.gz XOHFOEZUFYWZMB-IFMALSPDSA-N 0 0 453.631 4.707 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3C3CCC3)n2CCCC(=O)N(C)C)c1C ZINC001360875748 1066019060 /nfs/dbraw/zinc/01/90/60/1066019060.db2.gz YFJNREHDUHFJLK-RBBKRZOGSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CCC2(O)CCOCC2)c1C ZINC001360875741 1066019201 /nfs/dbraw/zinc/01/92/01/1066019201.db2.gz YESCVVWKZFKKEV-QFIPXVFZSA-N 0 0 456.631 4.737 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CCC2(O)CCOCC2)c1C ZINC001360875740 1066019239 /nfs/dbraw/zinc/01/92/39/1066019239.db2.gz YESCVVWKZFKKEV-JOCHJYFZSA-N 0 0 456.631 4.737 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441248898 1066020450 /nfs/dbraw/zinc/02/04/50/1066020450.db2.gz YWCPPWOLXSQOGI-INIZCTEOSA-N 0 0 458.386 4.616 20 0 JJADRN CC[C@H](NC(=O)c1cc(F)ccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876220 1066020623 /nfs/dbraw/zinc/02/06/23/1066020623.db2.gz LMLSRBYDXTXYQQ-JTQLQIEISA-N 0 0 458.218 4.787 20 0 JJADRN CC[C@@H]1CCCN(C(=O)[C@H](CCOC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001441250840 1066020817 /nfs/dbraw/zinc/02/08/17/1066020817.db2.gz UWVLYUMGMLJVRK-CLOONOSVSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC001360876747 1066020944 /nfs/dbraw/zinc/02/09/44/1066020944.db2.gz AOWBQJGOLCAYLY-YRPNKDGESA-N 0 0 493.574 4.995 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc3cc(Br)cnc3n2C)cc1 ZINC001360876661 1066020955 /nfs/dbraw/zinc/02/09/55/1066020955.db2.gz YPZDLLGMTOKARB-UHFFFAOYSA-N 0 0 454.290 4.891 20 0 JJADRN CC[C@@H](NC(=O)Cc1ccccc1I)c1nc(C(F)(F)F)cs1 ZINC001360876702 1066021023 /nfs/dbraw/zinc/02/10/23/1066021023.db2.gz ZZRQOMSQKSEXQZ-LLVKDONJSA-N 0 0 454.255 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2C1 ZINC001441251957 1066021238 /nfs/dbraw/zinc/02/12/38/1066021238.db2.gz QPWBXYTUZSSFQT-UHFFFAOYSA-N 0 0 450.579 4.801 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC2(C)CCC2)c1C ZINC001360876805 1066021410 /nfs/dbraw/zinc/02/14/10/1066021410.db2.gz BOQZHWHJJFMJOQ-VXKWHMMOSA-N 0 0 467.658 4.918 20 0 JJADRN CC(C)(C)c1cc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(Cl)n1 ZINC001441280133 1066022349 /nfs/dbraw/zinc/02/23/49/1066022349.db2.gz OMUADGZHTSKFCP-UHFFFAOYSA-N 0 0 453.892 4.650 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001360877438 1066023031 /nfs/dbraw/zinc/02/30/31/1066023031.db2.gz LLMTXWIPJXBJNR-QFIPXVFZSA-N 0 0 479.625 4.598 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CCCC(C)C)c1C ZINC001360877373 1066023043 /nfs/dbraw/zinc/02/30/43/1066023043.db2.gz KNMVTYSMLXXCGP-QHCPKHFHSA-N 0 0 482.673 4.809 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC2(C)CC2)c1C ZINC001360877383 1066023085 /nfs/dbraw/zinc/02/30/85/1066023085.db2.gz KRNVWPQUQPZKDC-FGZHOGPDSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001360877437 1066023095 /nfs/dbraw/zinc/02/30/95/1066023095.db2.gz LLMTXWIPJXBJNR-JOCHJYFZSA-N 0 0 479.625 4.598 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc2c(cc1Cl)OCCO2)c1c(F)cccc1F ZINC001441292611 1066023298 /nfs/dbraw/zinc/02/32/98/1066023298.db2.gz IJMALMLFXMVPCV-GOSISDBHSA-N 0 0 454.857 4.594 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360877651 1066023377 /nfs/dbraw/zinc/02/33/77/1066023377.db2.gz NDPNCGJLQJJOQK-RDJZCZTQSA-N 0 0 458.550 4.903 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)no2)C1 ZINC001441302448 1066023695 /nfs/dbraw/zinc/02/36/95/1066023695.db2.gz AUYKDAPWSXHMHP-IAGOWNOFSA-N 0 0 450.564 4.586 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCOC[C@H]3C(F)(F)F)c12 ZINC001360877802 1066023944 /nfs/dbraw/zinc/02/39/44/1066023944.db2.gz MEFBLQCLXWGLBB-HNNXBMFYSA-N 0 0 459.346 4.620 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc1Br ZINC001441309464 1066024302 /nfs/dbraw/zinc/02/43/02/1066024302.db2.gz KNVYBJLPIFMVGU-PBHICJAKSA-N 0 0 457.409 4.917 20 0 JJADRN CCCO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(F)cc1C ZINC001360878113 1066024262 /nfs/dbraw/zinc/02/42/62/1066024262.db2.gz RDBMLGFQYVPGLQ-OAQYLSRUSA-N 0 0 450.576 4.626 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)Cc3ccccc3Cl)cc2)CC1 ZINC001360877976 1066024530 /nfs/dbraw/zinc/02/45/30/1066024530.db2.gz PORFASLPABKNLV-KRWDZBQOSA-N 0 0 456.970 4.573 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](OC)[C@H](C)CC ZINC001545940081 1066024708 /nfs/dbraw/zinc/02/47/08/1066024708.db2.gz RIJVOYHWERMSQT-QUCCMNQESA-N 0 0 465.708 4.514 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC2CC2)c1C ZINC001360878210 1066024886 /nfs/dbraw/zinc/02/48/86/1066024886.db2.gz RZZIDIUTLBKQLR-HXUWFJFHSA-N 0 0 453.631 4.530 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCOC[C@@H]1C(F)(F)F ZINC001360878179 1066024944 /nfs/dbraw/zinc/02/49/44/1066024944.db2.gz ULJPVEDAMQVRAJ-CYBMUJFWSA-N 0 0 450.841 4.505 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001545940120 1066025487 /nfs/dbraw/zinc/02/54/87/1066025487.db2.gz SBLDFCSKIRTBRK-DUXKGJEZSA-N 0 0 459.635 4.786 20 0 JJADRN C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313026 1066025561 /nfs/dbraw/zinc/02/55/61/1066025561.db2.gz CCNXNCWGFDKJQO-KXBFYZLASA-N 0 0 453.986 4.520 20 0 JJADRN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC001441316982 1066026151 /nfs/dbraw/zinc/02/61/51/1066026151.db2.gz WUVFATSYOVFPJG-VQTJNVASSA-N 0 0 456.633 4.691 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001441315764 1066026168 /nfs/dbraw/zinc/02/61/68/1066026168.db2.gz FESSXJZKMJNGRF-HNNXBMFYSA-N 0 0 458.887 4.598 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3(CC)CCC(F)(F)CC3)cc2)CC1 ZINC001360878516 1066026648 /nfs/dbraw/zinc/02/66/48/1066026648.db2.gz YJYIPRQSHIBHRL-UHFFFAOYSA-N 0 0 450.526 4.646 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1ccc(C)cc1OCC1CC1 ZINC001545940203 1066026659 /nfs/dbraw/zinc/02/66/59/1066026659.db2.gz UHGOPLRWYRYEHW-RBUKOAKNSA-N 0 0 485.698 4.672 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1ccc(C)cc1OCC1CC1 ZINC001545940204 1066026920 /nfs/dbraw/zinc/02/69/20/1066026920.db2.gz UHGOPLRWYRYEHW-RTBURBONSA-N 0 0 485.698 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC2(C)CC2)c1C ZINC001360878698 1066027011 /nfs/dbraw/zinc/02/70/11/1066027011.db2.gz YJESORBDJRNAQH-SFHVURJKSA-N 0 0 483.554 4.857 20 0 JJADRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCCNC(=O)c3ccccc3Cl)cc12 ZINC001441319851 1066027156 /nfs/dbraw/zinc/02/71/56/1066027156.db2.gz YEHSFHGFEWKPSL-UHFFFAOYSA-N 0 0 452.967 4.517 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOCC4(CC4)C3)n2CCSCC(F)(F)F)c1C ZINC001360878824 1066027353 /nfs/dbraw/zinc/02/73/53/1066027353.db2.gz AZWXOWTYJBWRGS-SFHVURJKSA-N 0 0 484.588 4.947 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CCSCC(C)C)c1C ZINC001360878916 1066027864 /nfs/dbraw/zinc/02/78/64/1066027864.db2.gz CAXOMFMGNUFQJF-ZJSXRUAMSA-N 0 0 498.697 4.736 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1C ZINC001360879051 1066028038 /nfs/dbraw/zinc/02/80/38/1066028038.db2.gz FHFVIOAYTNDIDG-KBMIEXCESA-N 0 0 470.639 4.867 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCCC(F)(F)F)c1C ZINC001360878980 1066028052 /nfs/dbraw/zinc/02/80/52/1066028052.db2.gz DHTIPVYIEJJFKJ-NQIIRXRSSA-N 0 0 492.546 4.689 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1C ZINC001360879055 1066028085 /nfs/dbraw/zinc/02/80/85/1066028085.db2.gz FKFRUMLYSKACFX-VQTJNVASSA-N 0 0 481.597 4.780 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ncccc2N(C)C)c1C ZINC001360879138 1066028982 /nfs/dbraw/zinc/02/89/82/1066028982.db2.gz GXWWXCDVCAGENU-SFTDATJTSA-N 0 0 478.641 4.548 20 0 JJADRN O=C(Nc1ccc(I)cc1Cl)[C@H](O)c1ccccc1C(F)(F)F ZINC001441328881 1066029463 /nfs/dbraw/zinc/02/94/63/1066029463.db2.gz SSKQVIIOZQHCPZ-CYBMUJFWSA-N 0 0 455.601 4.636 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339078 1066030526 /nfs/dbraw/zinc/03/05/26/1066030526.db2.gz GNMVTQDQWQNZQT-DIFFPNOSSA-N 0 0 458.139 4.620 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441340940 1066030555 /nfs/dbraw/zinc/03/05/55/1066030555.db2.gz VGXJAUZVGRUUIN-XMMPIXPASA-N 0 0 452.567 4.572 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c2ccccc2)cc1 ZINC001441343899 1066030996 /nfs/dbraw/zinc/03/09/96/1066030996.db2.gz SAWXYTZEPBICAV-KIHHCIJBSA-N 0 0 450.579 4.794 20 0 JJADRN Cc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1NS(=O)(=O)c1ccccc1 ZINC001441346196 1066031399 /nfs/dbraw/zinc/03/13/99/1066031399.db2.gz IDTSAKJHMPEAOV-UHFFFAOYSA-N 0 0 450.545 4.567 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@@H]3C)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360879732 1066031685 /nfs/dbraw/zinc/03/16/85/1066031685.db2.gz PGAVBMOEVDGHSX-FPOVZHCZSA-N 0 0 479.625 4.881 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCSC(C)C)c1C ZINC001360880034 1066032401 /nfs/dbraw/zinc/03/24/01/1066032401.db2.gz UZBWTXVKNGALNH-YMPZKCBVSA-N 0 0 474.671 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCc2ccc(Sc3ccccc3)cc2)C1 ZINC001545940633 1066032393 /nfs/dbraw/zinc/03/23/93/1066032393.db2.gz IODMVXLSIHTBAH-HXUWFJFHSA-N 0 0 456.608 4.870 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001360880299 1066032656 /nfs/dbraw/zinc/03/26/56/1066032656.db2.gz ZCZAGKGJJZYIJB-KSZLIROESA-N 0 0 458.657 4.573 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001441358022 1066033021 /nfs/dbraw/zinc/03/30/21/1066033021.db2.gz QXEAGVCEQKPSHW-QFIPXVFZSA-N 0 0 451.295 4.949 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@H]2C)c1C ZINC001360880350 1066033161 /nfs/dbraw/zinc/03/31/61/1066033161.db2.gz ZTQYLNWEYVIVLO-WLRLJWMZSA-N 0 0 469.630 4.794 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(Nc3ccn(C)n3)n2CCSCC(F)(F)F)c1C ZINC001360881271 1066034039 /nfs/dbraw/zinc/03/40/39/1066034039.db2.gz KGKIPENSMIRASI-HNNXBMFYSA-N 0 0 454.522 4.808 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)cn2)c1 ZINC001441360987 1066034446 /nfs/dbraw/zinc/03/44/46/1066034446.db2.gz XHRPVJMVNLFACI-UHFFFAOYSA-N 0 0 451.473 4.804 20 0 JJADRN CO[C@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC001360881720 1066035002 /nfs/dbraw/zinc/03/50/02/1066035002.db2.gz VVQHNCSXLBDEKG-XMMPIXPASA-N 0 0 450.966 4.849 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360881740 1066035052 /nfs/dbraw/zinc/03/50/52/1066035052.db2.gz WQGUZSDWJGDROA-WSOYEBOPSA-N 0 0 450.579 4.516 20 0 JJADRN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3sccc3nc2Cl)CC1 ZINC001441363413 1066034949 /nfs/dbraw/zinc/03/49/49/1066034949.db2.gz SDZBFKKVJCDTKC-UHFFFAOYSA-N 0 0 454.766 4.855 20 0 JJADRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001441364825 1066035186 /nfs/dbraw/zinc/03/51/86/1066035186.db2.gz MPBHFKOZGVOOHF-IBGZPJMESA-N 0 0 456.543 4.902 20 0 JJADRN CO[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC001360881719 1066035091 /nfs/dbraw/zinc/03/50/91/1066035091.db2.gz VVQHNCSXLBDEKG-DEOSSOPVSA-N 0 0 450.966 4.849 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(Nc3ccn(C)n3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1C ZINC001360881963 1066035358 /nfs/dbraw/zinc/03/53/58/1066035358.db2.gz SZGZMKYFQDKXRE-IBGZPJMESA-N 0 0 495.628 4.912 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)cc2)n1 ZINC001441365798 1066035464 /nfs/dbraw/zinc/03/54/64/1066035464.db2.gz CEGDASIWOOLUNL-JOCHJYFZSA-N 0 0 457.361 4.648 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)ccc1Br ZINC001360882211 1066035657 /nfs/dbraw/zinc/03/56/57/1066035657.db2.gz AVJZUCMBVAMREQ-UHFFFAOYSA-N 0 0 452.370 4.564 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1ccc(COC2CCCC2)cc1 ZINC001360882465 1066035684 /nfs/dbraw/zinc/03/56/84/1066035684.db2.gz LROKQGXCNXCCBZ-UHFFFAOYSA-N 0 0 451.304 4.768 20 0 JJADRN O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1snc(Cl)c1Cl ZINC001441370981 1066036057 /nfs/dbraw/zinc/03/60/57/1066036057.db2.gz LOCISTTZCXPHDF-LLVKDONJSA-N 0 0 452.285 4.562 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001360882937 1066036184 /nfs/dbraw/zinc/03/61/84/1066036184.db2.gz FEHKLQCICOZSIB-XMMPIXPASA-N 0 0 480.531 4.654 20 0 JJADRN CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001360882936 1066036304 /nfs/dbraw/zinc/03/63/04/1066036304.db2.gz FEHKLQCICOZSIB-DEOSSOPVSA-N 0 0 480.531 4.654 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CCC(C)=C(C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001360882956 1066036666 /nfs/dbraw/zinc/03/66/66/1066036666.db2.gz FOZGUVVCYMFJFS-NVQXNPDNSA-N 0 0 454.615 4.641 20 0 JJADRN COc1ccc(/C(C)=C\C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001441388136 1066036774 /nfs/dbraw/zinc/03/67/74/1066036774.db2.gz DBBAPGACLQOREH-SQFISAMPSA-N 0 0 458.486 4.816 20 0 JJADRN Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)CC1 ZINC001441389574 1066036951 /nfs/dbraw/zinc/03/69/51/1066036951.db2.gz KVNBLJKYWFWWGI-UHFFFAOYSA-N 0 0 453.892 4.657 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)CC2(CC(=O)OC)CCCC2)cc1 ZINC001360883608 1066037515 /nfs/dbraw/zinc/03/75/15/1066037515.db2.gz CHJDEVBSVLCWCJ-UHFFFAOYSA-N 0 0 459.564 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC001441401618 1066038024 /nfs/dbraw/zinc/03/80/24/1066038024.db2.gz FLSIWSFRKOLNQK-FQEVSTJZSA-N 0 0 455.530 4.666 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360883837 1066038080 /nfs/dbraw/zinc/03/80/80/1066038080.db2.gz YPJJXZZLSBBOFI-RUZDIDTESA-N 0 0 473.687 4.862 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC001360883913 1066038093 /nfs/dbraw/zinc/03/80/93/1066038093.db2.gz GIKFXHFZIIDJIO-RUZDIDTESA-N 0 0 451.544 4.917 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC001360884412 1066038427 /nfs/dbraw/zinc/03/84/27/1066038427.db2.gz SZRXMNRPHIHVGX-UHFFFAOYSA-N 0 0 457.488 4.773 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC001441412158 1066038838 /nfs/dbraw/zinc/03/88/38/1066038838.db2.gz APAIHPIHFIRUBP-UHFFFAOYSA-N 0 0 458.868 4.526 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC001441409477 1066038904 /nfs/dbraw/zinc/03/89/04/1066038904.db2.gz ZJAQBDOCQBLOMV-UHFFFAOYSA-N 0 0 453.974 4.662 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)o1 ZINC001360884808 1066039211 /nfs/dbraw/zinc/03/92/11/1066039211.db2.gz HNICIWFOIPJQBV-UHFFFAOYSA-N 0 0 454.884 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC001441413802 1066039330 /nfs/dbraw/zinc/03/93/30/1066039330.db2.gz DKPGDAPBENFIJM-HOFKKMOUSA-N 0 0 450.579 4.667 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC001441416947 1066039343 /nfs/dbraw/zinc/03/93/43/1066039343.db2.gz GFQPNCORUMZLPR-UHFFFAOYSA-N 0 0 450.366 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC001441413806 1066039354 /nfs/dbraw/zinc/03/93/54/1066039354.db2.gz DKPGDAPBENFIJM-KCWPFWIISA-N 0 0 450.579 4.667 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CC1CCN(CC(F)F)CC1 ZINC001441420177 1066039624 /nfs/dbraw/zinc/03/96/24/1066039624.db2.gz JQAYJDXVAXFKCD-UHFFFAOYSA-N 0 0 450.357 4.538 20 0 JJADRN CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cnn1CCC(C)C ZINC001441424707 1066039988 /nfs/dbraw/zinc/03/99/88/1066039988.db2.gz NBXSJYVDCDJKPO-UHFFFAOYSA-N 0 0 454.596 4.853 20 0 JJADRN Cc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1S(=O)(=O)Nc1ccccc1 ZINC001441422410 1066040144 /nfs/dbraw/zinc/04/01/44/1066040144.db2.gz LGKNRASFISBREN-UHFFFAOYSA-N 0 0 453.545 4.694 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001441424413 1066040195 /nfs/dbraw/zinc/04/01/95/1066040195.db2.gz VUJNNQHPMJYWHG-CQSZACIVSA-N 0 0 453.461 4.538 20 0 JJADRN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001441425039 1066040494 /nfs/dbraw/zinc/04/04/94/1066040494.db2.gz ONLDMSRDYYHOTL-UHFFFAOYSA-N 0 0 450.347 4.781 20 0 JJADRN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc(NC(N)=O)cc1 ZINC001441426281 1066040561 /nfs/dbraw/zinc/04/05/61/1066040561.db2.gz VPSDBLIRSMZBGD-GFCCVEGCSA-N 0 0 458.349 4.649 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360886192 1066040737 /nfs/dbraw/zinc/04/07/37/1066040737.db2.gz LURUIJUHXAEZBF-UHFFFAOYSA-N 0 0 477.613 4.544 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc[nH]3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360886266 1066040744 /nfs/dbraw/zinc/04/07/44/1066040744.db2.gz PJGIUWRWIXFMNF-HXUWFJFHSA-N 0 0 454.619 4.999 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NCc2nccn2C)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441428587 1066040777 /nfs/dbraw/zinc/04/07/77/1066040777.db2.gz OSQQSVAPMHEPIA-LJQANCHMSA-N 0 0 453.546 4.776 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@H]2C[C@H]21 ZINC001441429535 1066040983 /nfs/dbraw/zinc/04/09/83/1066040983.db2.gz PSGYSMDYXBJPCO-UARRHKHWSA-N 0 0 450.579 4.569 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC[C@@H]1c1ccccc1 ZINC001360886543 1066040866 /nfs/dbraw/zinc/04/08/66/1066040866.db2.gz AMFNEJDLZFHTKO-UGKGYDQZSA-N 0 0 450.966 4.847 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441429675 1066041145 /nfs/dbraw/zinc/04/11/45/1066041145.db2.gz ROQRNVMDHSKDQQ-HNNXBMFYSA-N 0 0 453.336 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)sc2C1 ZINC001545941913 1066041813 /nfs/dbraw/zinc/04/18/13/1066041813.db2.gz DFAZIABYVPOWFS-IBGZPJMESA-N 0 0 458.624 4.573 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC001360888987 1066041807 /nfs/dbraw/zinc/04/18/07/1066041807.db2.gz PANJCFHMKVHRMU-IBGZPJMESA-N 0 0 453.560 4.631 20 0 JJADRN C[C@H](NC(=O)COc1cccc(I)c1)c1cccc(Cl)c1Cl ZINC001360889096 1066041876 /nfs/dbraw/zinc/04/18/76/1066041876.db2.gz SYFPLUCHECDQOA-JTQLQIEISA-N 0 0 450.103 4.854 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360889506 1066042246 /nfs/dbraw/zinc/04/22/46/1066042246.db2.gz JAKVYBMDODZHPI-JOCHJYFZSA-N 0 0 483.613 4.642 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360889561 1066042681 /nfs/dbraw/zinc/04/26/81/1066042681.db2.gz LFBWTJCJLVFAJN-RTWAWAEBSA-N 0 0 473.662 4.959 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001360889639 1066042718 /nfs/dbraw/zinc/04/27/18/1066042718.db2.gz NHSCTLYJYSNLRX-JOCHJYFZSA-N 0 0 493.656 4.612 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC001360891667 1066043041 /nfs/dbraw/zinc/04/30/41/1066043041.db2.gz QMBPXNKXDBKSQI-UHFFFAOYSA-N 0 0 459.951 4.526 20 0 JJADRN COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)c[nH]1 ZINC001441461890 1066043189 /nfs/dbraw/zinc/04/31/89/1066043189.db2.gz FXXLSDFXRSXYOQ-QFIPXVFZSA-N 0 0 451.592 4.516 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)CNC(=O)CC(C)(C)C)N2CCc3sccc3C2)cc1 ZINC001441463880 1066043544 /nfs/dbraw/zinc/04/35/44/1066043544.db2.gz IXTBOOYEDBBFEM-QFIPXVFZSA-N 0 0 455.668 4.640 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCN(C)CC(F)(F)F)CC1 ZINC001360891922 1066043670 /nfs/dbraw/zinc/04/36/70/1066043670.db2.gz HACZRGGOJWBIGF-UHFFFAOYSA-N 0 0 460.548 4.781 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001360892293 1066043969 /nfs/dbraw/zinc/04/39/69/1066043969.db2.gz SFNZKMKLYPHXQG-UHFFFAOYSA-N 0 0 467.614 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC001545942188 1066043971 /nfs/dbraw/zinc/04/39/71/1066043971.db2.gz MYODZWYCWVFJGJ-GOTSBHOMSA-N 0 0 452.595 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(F)cc1F ZINC001545942125 1066043980 /nfs/dbraw/zinc/04/39/80/1066043980.db2.gz KOTSUTQYXZRNRO-KRWDZBQOSA-N 0 0 452.408 4.914 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)c1ccc(F)cc1F ZINC001545942126 1066043988 /nfs/dbraw/zinc/04/39/88/1066043988.db2.gz KOTSUTQYXZRNRO-QGZVFWFLSA-N 0 0 452.408 4.914 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001360892387 1066044255 /nfs/dbraw/zinc/04/42/55/1066044255.db2.gz WHNOANQAYBQCSN-UHFFFAOYSA-N 0 0 469.630 4.935 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)ccc1C ZINC001441473551 1066044340 /nfs/dbraw/zinc/04/43/40/1066044340.db2.gz OYSUSWQTZYDOBO-UHFFFAOYSA-N 0 0 457.939 4.660 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CCCN2CCOC2=O)c1 ZINC001360892473 1066044414 /nfs/dbraw/zinc/04/44/14/1066044414.db2.gz ZNIRJXYMBPASSX-UHFFFAOYSA-N 0 0 467.614 4.678 20 0 JJADRN CSc1ccc([C@H](CNC(=O)c2cnn(CC(C)C)c2)N2CCc3sccc3C2)cc1 ZINC001441476146 1066044823 /nfs/dbraw/zinc/04/48/23/1066044823.db2.gz UEZPDPZOIWWTIQ-QFIPXVFZSA-N 0 0 454.665 4.852 20 0 JJADRN Cc1nccn1-c1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cn1 ZINC001441484567 1066045877 /nfs/dbraw/zinc/04/58/77/1066045877.db2.gz DODMTQFOGINGLM-UHFFFAOYSA-N 0 0 457.321 4.894 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 ZINC001441491530 1066046493 /nfs/dbraw/zinc/04/64/93/1066046493.db2.gz GTMDIUMDZHZCLO-XMMPIXPASA-N 0 0 456.634 4.654 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C4CC4)n3C[C@H](C)CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894541 1066046827 /nfs/dbraw/zinc/04/68/27/1066046827.db2.gz QBRQPRLVLNXBME-BEFAXECRSA-N 0 0 474.675 4.774 20 0 JJADRN O=C(NCCSC(F)(F)F)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001441503645 1066047013 /nfs/dbraw/zinc/04/70/13/1066047013.db2.gz FCQKGZAHSRUULA-UHFFFAOYSA-N 0 0 453.269 4.934 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(COc4ccc(F)cc4)n3CCCC(C)(C)C)CC2)oc1C ZINC001360894821 1066047162 /nfs/dbraw/zinc/04/71/62/1066047162.db2.gz VZXDXKAPPGLYPO-UHFFFAOYSA-N 0 0 484.620 4.750 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CCSC(F)(F)F)C2)sc1C ZINC001360895383 1066048118 /nfs/dbraw/zinc/04/81/18/1066048118.db2.gz AFFBJORSNFDMNA-JKSUJKDBSA-N 0 0 475.606 4.882 20 0 JJADRN CCC(=O)Nc1ccc(C)c(NC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC001441527074 1066048293 /nfs/dbraw/zinc/04/82/93/1066048293.db2.gz LZKSKCHMJMYBRV-UHFFFAOYSA-N 0 0 450.583 4.937 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360895570 1066048324 /nfs/dbraw/zinc/04/83/24/1066048324.db2.gz HBXZGPCXQKXQHQ-INIZCTEOSA-N 0 0 465.595 4.804 20 0 JJADRN C[C@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441526005 1066048357 /nfs/dbraw/zinc/04/83/57/1066048357.db2.gz VGHDJLNKYBTDPR-ZAMGYDSWSA-N 0 0 458.921 4.524 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H]3CCCCCC(=O)C3)cc2)cc1 ZINC001441527745 1066048440 /nfs/dbraw/zinc/04/84/40/1066048440.db2.gz XAIVUOOQTGUFLH-QFIPXVFZSA-N 0 0 450.579 4.948 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1Cc1ccc(Cl)cc1OC ZINC001545942718 1066049143 /nfs/dbraw/zinc/04/91/43/1066049143.db2.gz FDBQFFUFTBQIMU-GYCJOSAFSA-N 0 0 460.022 4.676 20 0 JJADRN CCCOc1ccc(CNC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cn1 ZINC001441537345 1066049237 /nfs/dbraw/zinc/04/92/37/1066049237.db2.gz UEEBDOLCNKQYFX-HXUWFJFHSA-N 0 0 456.587 4.601 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001545942719 1066049285 /nfs/dbraw/zinc/04/92/85/1066049285.db2.gz FDKCAMYLXGIVGS-WOJBJXKFSA-N 0 0 498.672 4.941 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CCCO)CC2)sc1C ZINC001360896215 1066049853 /nfs/dbraw/zinc/04/98/53/1066049853.db2.gz XQIIDGZCMQAYFI-GOSISDBHSA-N 0 0 487.645 4.862 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1)C(=O)N1CCCC1 ZINC001360898026 1066050726 /nfs/dbraw/zinc/05/07/26/1066050726.db2.gz SXSAIEUKUUYTNG-IBGZPJMESA-N 0 0 452.624 4.673 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3Cl)nnc2N2CCCN(CC(F)(F)F)CC2)sc1C ZINC001360898034 1066050995 /nfs/dbraw/zinc/05/09/95/1066050995.db2.gz LTSOYGKZPPDQGG-UHFFFAOYSA-N 0 0 499.006 4.989 20 0 JJADRN CC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)c2ccccc21 ZINC001360899094 1066052324 /nfs/dbraw/zinc/05/23/24/1066052324.db2.gz GWRILEQCCDGEHS-UHFFFAOYSA-N 0 0 452.352 4.858 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1C(C)C ZINC001441597170 1066052456 /nfs/dbraw/zinc/05/24/56/1066052456.db2.gz DLLWUIPFJGGBQO-UHFFFAOYSA-N 0 0 450.366 4.554 20 0 JJADRN Cc1nc(CCn2c(N(CCO)Cc3ccc(Br)s3)nnc2C(C)(C)C)sc1C ZINC001360899517 1066052620 /nfs/dbraw/zinc/05/26/20/1066052620.db2.gz OQYQMAVLXNVBAC-UHFFFAOYSA-N 0 0 498.516 4.715 20 0 JJADRN Cc1nc(CCn2c(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)sc1C ZINC001360899516 1066052696 /nfs/dbraw/zinc/05/26/96/1066052696.db2.gz OMRWLOGLSSOLEL-SFHVURJKSA-N 0 0 476.691 4.633 20 0 JJADRN COc1cc(NC(=O)c2ccc(Br)c(C)c2N)ccc1NC(=O)OC(C)(C)C ZINC001441605321 1066052958 /nfs/dbraw/zinc/05/29/58/1066052958.db2.gz ZROMQIQRSLTPJD-UHFFFAOYSA-N 0 0 450.333 4.948 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2sc([C@H]3CCOC3)nc2C)CC1 ZINC001441608762 1066053312 /nfs/dbraw/zinc/05/33/12/1066053312.db2.gz BKFCBXKTPQWPOK-SFTDATJTSA-N 0 0 456.608 4.545 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)sc1C ZINC001360900081 1066053755 /nfs/dbraw/zinc/05/37/55/1066053755.db2.gz XUNLYONQIFXIMB-MRXNPFEDSA-N 0 0 459.582 4.730 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)cc2)sc1C ZINC001360900302 1066053802 /nfs/dbraw/zinc/05/38/02/1066053802.db2.gz ZYKNLOTUMFPAOI-QGZVFWFLSA-N 0 0 450.587 4.916 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC001441610240 1066053818 /nfs/dbraw/zinc/05/38/18/1066053818.db2.gz VAEUZCHNVREDBR-OPAMFIHVSA-N 0 0 451.567 4.651 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cccc(N=S(C)(C)=O)c2)CC1 ZINC001441615471 1066054234 /nfs/dbraw/zinc/05/42/34/1066054234.db2.gz RZUKVRKKHGVSNT-QHCPKHFHSA-N 0 0 456.608 4.635 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H]2C(C)C)sc1C ZINC001360901257 1066054603 /nfs/dbraw/zinc/05/46/03/1066054603.db2.gz KFTMRLZJYMRJHL-INIZCTEOSA-N 0 0 463.449 4.793 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2cccc(OCc3cccnc3)c2)cs1 ZINC001441620923 1066055074 /nfs/dbraw/zinc/05/50/74/1066055074.db2.gz DDJDBPSITMKHIM-OAHLLOKOSA-N 0 0 454.552 4.955 20 0 JJADRN Cc1nc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2CCOCC2)sc1C ZINC001360901707 1066055555 /nfs/dbraw/zinc/05/55/55/1066055555.db2.gz ZCKMITJOFJRDIH-UHFFFAOYSA-N 0 0 494.434 4.831 20 0 JJADRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC001441624978 1066055751 /nfs/dbraw/zinc/05/57/51/1066055751.db2.gz SFLXFTNZTOGIBT-MOSHPQCFSA-N 0 0 452.423 4.710 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)sc1C ZINC001360902537 1066055809 /nfs/dbraw/zinc/05/58/09/1066055809.db2.gz JYZXQQOFJSLNPU-MRXNPFEDSA-N 0 0 468.627 4.512 20 0 JJADRN Cc1nc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)sc1C ZINC001360902727 1066056225 /nfs/dbraw/zinc/05/62/25/1066056225.db2.gz NHRMIZDXMQSEBY-UHFFFAOYSA-N 0 0 453.519 4.507 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC001441630953 1066056537 /nfs/dbraw/zinc/05/65/37/1066056537.db2.gz MZZYXFAEXVNWNK-UHFFFAOYSA-N 0 0 450.473 4.983 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)sc1C ZINC001360903092 1066056803 /nfs/dbraw/zinc/05/68/03/1066056803.db2.gz SLWLQYUAMFUMON-UHFFFAOYSA-N 0 0 487.073 4.803 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492597643 1066057030 /nfs/dbraw/zinc/05/70/30/1066057030.db2.gz CJIUFWAPSUWBDD-QSEAXJEQSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)sc1C ZINC001360903343 1066057181 /nfs/dbraw/zinc/05/71/81/1066057181.db2.gz XNGIUFVCUAZSDG-QGZVFWFLSA-N 0 0 451.518 4.614 20 0 JJADRN Cc1nc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(F)F)C2)sc1C ZINC001360903942 1066057577 /nfs/dbraw/zinc/05/75/77/1066057577.db2.gz ABEKVCSTFFPPPR-CQSZACIVSA-N 0 0 453.509 4.750 20 0 JJADRN Cc1nc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(F)c(Cl)c2)sc1C ZINC001360904648 1066057825 /nfs/dbraw/zinc/05/78/25/1066057825.db2.gz MBKPIKXJVHPBBX-UHFFFAOYSA-N 0 0 456.978 4.814 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)Cc2ccccc2C1 ZINC001441655388 1066058001 /nfs/dbraw/zinc/05/80/01/1066058001.db2.gz WOEFSKBJTKEJEV-UHFFFAOYSA-N 0 0 450.554 4.894 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656746 1066058101 /nfs/dbraw/zinc/05/81/01/1066058101.db2.gz GBGXHECMHYBUJM-OALUTQOASA-N 0 0 452.599 4.777 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@@H](C)O1 ZINC001441656374 1066058181 /nfs/dbraw/zinc/05/81/81/1066058181.db2.gz DMWLQBNWVSMJGH-IAGOWNOFSA-N 0 0 459.612 4.981 20 0 JJADRN CCN(Cc1ccccc1NC(=O)C[C@H](c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C ZINC001441653154 1066058205 /nfs/dbraw/zinc/05/82/05/1066058205.db2.gz VXOBPCBTKXLZKS-MRXNPFEDSA-N 0 0 454.493 4.852 20 0 JJADRN Cc1nc(Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)sc1C ZINC001360904758 1066058476 /nfs/dbraw/zinc/05/84/76/1066058476.db2.gz CZMYPURECADPER-UHFFFAOYSA-N 0 0 496.681 4.632 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccn2)sc1C ZINC001360904868 1066058737 /nfs/dbraw/zinc/05/87/37/1066058737.db2.gz PHRZAAMIQKZWIX-LJQANCHMSA-N 0 0 497.669 4.546 20 0 JJADRN COc1cccc(Oc2ccc(CNC(=O)[C@@H](C)[NH+]3CCC(Cc4ccccc4)CC3)cn2)c1 ZINC001441666311 1066059053 /nfs/dbraw/zinc/05/90/53/1066059053.db2.gz CYULAJXPLVYCEX-OAQYLSRUSA-N 0 0 459.590 4.842 20 0 JJADRN Cc1nc(Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc1C ZINC001360905073 1066059209 /nfs/dbraw/zinc/05/92/09/1066059209.db2.gz RXALFSPMDDAXBP-UHFFFAOYSA-N 0 0 455.472 4.919 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3cccnc3)C(C)C)CC2)sc1C ZINC001360905043 1066059313 /nfs/dbraw/zinc/05/93/13/1066059313.db2.gz LDTGFIMJFKEOPE-NRFANRHFSA-N 0 0 467.687 4.810 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccnc3)C(C)C)CC2)sc1C ZINC001360905044 1066059323 /nfs/dbraw/zinc/05/93/23/1066059323.db2.gz LDTGFIMJFKEOPE-OAQYLSRUSA-N 0 0 467.687 4.810 20 0 JJADRN O=C(NCc1cc(Br)cs1)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 ZINC001441671265 1066059961 /nfs/dbraw/zinc/05/99/61/1066059961.db2.gz OEDFKTMTBMTXJH-UHFFFAOYSA-N 0 0 453.745 4.860 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1OCCC(C)C ZINC001441672415 1066059992 /nfs/dbraw/zinc/05/99/92/1066059992.db2.gz JLDSXLKEITYJBW-TZIWHRDSSA-N 0 0 459.631 4.662 20 0 JJADRN Cc1nc(Cn2c(N(C)[C@@H](C)c3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360905539 1066059891 /nfs/dbraw/zinc/05/98/91/1066059891.db2.gz TXQWTYFYSSWYQS-BXKMTCNYSA-N 0 0 473.618 4.777 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc2c(cncc2Br)s1 ZINC001360906323 1066060187 /nfs/dbraw/zinc/06/01/87/1066060187.db2.gz QVHLBKDUCSCJHU-UHFFFAOYSA-N 0 0 459.413 4.833 20 0 JJADRN O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cnc2cc(F)c(F)cc2c1O ZINC001441678349 1066060420 /nfs/dbraw/zinc/06/04/20/1066060420.db2.gz GJYGBPWINSBPAI-UHFFFAOYSA-N 0 0 450.441 4.654 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360906312 1066060494 /nfs/dbraw/zinc/06/04/94/1066060494.db2.gz QOEACYQXJBTSFP-WXVAWEFUSA-N 0 0 470.658 4.716 20 0 JJADRN C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1cccc(-n2cccn2)c1 ZINC001360906392 1066060554 /nfs/dbraw/zinc/06/05/54/1066060554.db2.gz RSIMMHVNWMPODN-QGZVFWFLSA-N 0 0 454.368 4.560 20 0 JJADRN COc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC1CCCC1 ZINC001360906657 1066060997 /nfs/dbraw/zinc/06/09/97/1066060997.db2.gz ITJNCOHLVYPQCL-KRWDZBQOSA-N 0 0 456.970 4.892 20 0 JJADRN CC(C)(CO)c1nc2cc(C(=O)Nc3cccc(COCCOc4ccccc4)c3)ccc2[nH]1 ZINC001441683583 1066061130 /nfs/dbraw/zinc/06/11/30/1066061130.db2.gz SRHZXGNMEUQYSR-UHFFFAOYSA-N 0 0 459.546 4.681 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(C)c2I)cc1OCC1CCCCC1 ZINC001360907006 1066061202 /nfs/dbraw/zinc/06/12/02/1066061202.db2.gz QUHRBJWWWFYBKP-UHFFFAOYSA-N 0 0 453.324 4.545 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492597690 1066061217 /nfs/dbraw/zinc/06/12/17/1066061217.db2.gz DUSOAHZZDVUIAU-NHCUHLMSSA-N 0 0 471.646 4.698 20 0 JJADRN CCOc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)ccc1OC(F)F ZINC001441688988 1066061647 /nfs/dbraw/zinc/06/16/47/1066061647.db2.gz BGNBTIWQGJZLOY-UHFFFAOYSA-N 0 0 455.457 4.856 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccccc4F)n3CCSC(F)(F)F)CC2)sc1C ZINC001360907680 1066062346 /nfs/dbraw/zinc/06/23/46/1066062346.db2.gz NOYSDWHCACJFBE-UHFFFAOYSA-N 0 0 486.564 4.737 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H]1CC=CCC1 ZINC001360907875 1066062372 /nfs/dbraw/zinc/06/23/72/1066062372.db2.gz SZMDTJCMSWADHB-AABGKKOBSA-N 0 0 499.706 4.991 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)CCCCC1 ZINC001441695085 1066062418 /nfs/dbraw/zinc/06/24/18/1066062418.db2.gz QXMHAURVKQQTGH-UHFFFAOYSA-N 0 0 453.631 4.658 20 0 JJADRN C[C@H](C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001441697927 1066062558 /nfs/dbraw/zinc/06/25/58/1066062558.db2.gz WGJNNFFLJAZZNE-IBGZPJMESA-N 0 0 454.615 4.751 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)COCCc1ccccc1)Nc1ccccc1F ZINC001441705215 1066062813 /nfs/dbraw/zinc/06/28/13/1066062813.db2.gz YFMBILMMPYXWCZ-UHFFFAOYSA-N 0 0 454.929 4.706 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)cc2)nc1C(F)(F)F ZINC001441706831 1066062996 /nfs/dbraw/zinc/06/29/96/1066062996.db2.gz AGQMJEAAJXQEKN-UHFFFAOYSA-N 0 0 457.481 4.586 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCC(=O)N(C)C ZINC001360908087 1066063051 /nfs/dbraw/zinc/06/30/51/1066063051.db2.gz ARIFITFLHSBYMI-MRXNPFEDSA-N 0 0 495.678 4.552 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@@](C)(O)C(C)C ZINC001360908142 1066063200 /nfs/dbraw/zinc/06/32/00/1066063200.db2.gz CWNPTZBHDYGXKT-AREMUKBSSA-N 0 0 499.681 4.619 20 0 JJADRN Nc1ccc(I)cc1C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC001441711163 1066063257 /nfs/dbraw/zinc/06/32/57/1066063257.db2.gz HUFYNXUQLHXMHL-OAQYLSRUSA-N 0 0 456.327 4.977 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC001441711110 1066063395 /nfs/dbraw/zinc/06/33/95/1066063395.db2.gz HFVVBFZDIUKQIB-OAQYLSRUSA-N 0 0 455.530 4.639 20 0 JJADRN O=C(c1ccc2ncc(I)n2c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001441711609 1066063448 /nfs/dbraw/zinc/06/34/48/1066063448.db2.gz NIKSYAZSIYAZGG-OAHLLOKOSA-N 0 0 451.695 4.570 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1CCCC(F)(F)F ZINC001360908016 1066063334 /nfs/dbraw/zinc/06/33/34/1066063334.db2.gz XWEIKJNCRAFERH-UHFFFAOYSA-N 0 0 480.560 4.680 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1C[C@H](C)N(C)c1ccccc1 ZINC001360908389 1066063716 /nfs/dbraw/zinc/06/37/16/1066063716.db2.gz JEGAUIZWCHHMPA-FQEVSTJZSA-N 0 0 497.713 4.554 20 0 JJADRN O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1nc(Cc2ccc(Br)cc2)cs1 ZINC001441723823 1066064124 /nfs/dbraw/zinc/06/41/24/1066064124.db2.gz KYHPTVJJKZKDMK-LLVKDONJSA-N 0 0 458.592 4.556 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001441723047 1066064342 /nfs/dbraw/zinc/06/43/42/1066064342.db2.gz KJQIPUCANIOYMK-NVMUNBMSSA-N 0 0 469.626 4.840 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCC(C)C ZINC001360908821 1066064521 /nfs/dbraw/zinc/06/45/21/1066064521.db2.gz REGHVEBBHFVBQD-UHFFFAOYSA-N 0 0 476.597 4.507 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC001441729643 1066064815 /nfs/dbraw/zinc/06/48/15/1066064815.db2.gz DEAHZPXIPMZNBP-SDKBWNRFSA-N 0 0 471.579 4.579 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@](C)(O)C1CC1 ZINC001360908853 1066064875 /nfs/dbraw/zinc/06/48/75/1066064875.db2.gz SOUHZMUSWWLKDT-FQEVSTJZSA-N 0 0 451.518 4.537 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC001441733922 1066065279 /nfs/dbraw/zinc/06/52/79/1066065279.db2.gz LKXDZRSSVRZVRE-UHFFFAOYSA-N 0 0 451.567 4.679 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCC(C)(C)C2)n1CCSCC(C)C ZINC001360910401 1066066112 /nfs/dbraw/zinc/06/61/12/1066066112.db2.gz FPVOJHNOENAADX-UHFFFAOYSA-N 0 0 478.732 4.562 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCCCO ZINC001360910321 1066066154 /nfs/dbraw/zinc/06/61/54/1066066154.db2.gz CLMMOTSKJUWGGW-GOSISDBHSA-N 0 0 455.628 4.543 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CCOC(C)(C)C ZINC001360910448 1066066668 /nfs/dbraw/zinc/06/66/68/1066066668.db2.gz GTVYOBHMAYHLMW-OAQYLSRUSA-N 0 0 499.681 4.822 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCSCCCO ZINC001360910644 1066066970 /nfs/dbraw/zinc/06/69/70/1066066970.db2.gz LSKCTJUATVFEKD-AEFFLSMTSA-N 0 0 457.669 4.727 20 0 JJADRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2=O ZINC001441745093 1066067270 /nfs/dbraw/zinc/06/72/70/1066067270.db2.gz WXJFAVSVOLRLFO-VGOFRKELSA-N 0 0 452.382 4.548 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCC(F)(F)F ZINC001360910772 1066067366 /nfs/dbraw/zinc/06/73/66/1066067366.db2.gz OPYPVHCFLDVFJJ-MRXNPFEDSA-N 0 0 486.608 4.762 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCCCCO ZINC001360911046 1066067728 /nfs/dbraw/zinc/06/77/28/1066067728.db2.gz VELAZXAKIPUTOA-CRAIPNDOSA-N 0 0 495.571 4.696 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1N)NC(=O)OC(C)(C)C ZINC001441757822 1066068254 /nfs/dbraw/zinc/06/82/54/1066068254.db2.gz ZQPRZJYZEDEESJ-OAHLLOKOSA-N 0 0 454.354 4.580 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360911138 1066068267 /nfs/dbraw/zinc/06/82/67/1066068267.db2.gz DLWVSHIORIQHES-JZXOWHBKSA-N 0 0 476.547 4.949 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001360911149 1066068277 /nfs/dbraw/zinc/06/82/77/1066068277.db2.gz YDSSDPKCXWXAFX-GJZGRUSLSA-N 0 0 486.608 4.617 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)(F)F ZINC001360911158 1066068331 /nfs/dbraw/zinc/06/83/31/1066068331.db2.gz DSBKGSDMIRYDAL-UHFFFAOYSA-N 0 0 489.315 4.900 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360911140 1066068352 /nfs/dbraw/zinc/06/83/52/1066068352.db2.gz DLWVSHIORIQHES-SOLBZPMBSA-N 0 0 476.547 4.949 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)C2)n1 ZINC001441769162 1066068656 /nfs/dbraw/zinc/06/86/56/1066068656.db2.gz IMQDAZSRWCDKAQ-GOSISDBHSA-N 0 0 450.926 4.722 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001360911600 1066068655 /nfs/dbraw/zinc/06/86/55/1066068655.db2.gz QYRVMKANXYEITP-CVEARBPZSA-N 0 0 457.420 4.997 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCSC[C@@H]2C)n1CCN(C)CC(F)(F)F ZINC001360911609 1066068688 /nfs/dbraw/zinc/06/86/88/1066068688.db2.gz REKNOPJIVQAUCE-HNNXBMFYSA-N 0 0 496.628 4.813 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)n1 ZINC001441771073 1066068942 /nfs/dbraw/zinc/06/89/42/1066068942.db2.gz JUUXKGQGEDZBGB-HYBUGGRVSA-N 0 0 455.558 4.602 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360911828 1066068989 /nfs/dbraw/zinc/06/89/89/1066068989.db2.gz YBJZXSCLKLGCOR-HOTGVXAUSA-N 0 0 457.420 4.854 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360912892 1066069303 /nfs/dbraw/zinc/06/93/03/1066069303.db2.gz GBKCHCSWGIREJM-INIZCTEOSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360912846 1066069329 /nfs/dbraw/zinc/06/93/29/1066069329.db2.gz DMDDYWQRMHAVDO-UHFFFAOYSA-N 0 0 472.437 4.931 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(Cc4ccc(F)cc4)s3)n[nH]2)c(OC)c1 ZINC001441781629 1066069331 /nfs/dbraw/zinc/06/93/31/1066069331.db2.gz HJFILMQWCRCUMX-UHFFFAOYSA-N 0 0 452.511 4.841 20 0 JJADRN CCCCNc1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441777632 1066069519 /nfs/dbraw/zinc/06/95/19/1066069519.db2.gz XMSCSEFCJPAURD-MRXNPFEDSA-N 0 0 459.388 4.547 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](C)C1 ZINC001360912736 1066069485 /nfs/dbraw/zinc/06/94/85/1066069485.db2.gz ACDDKSMTUSTQSE-INIZCTEOSA-N 0 0 457.420 4.998 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001360913210 1066069921 /nfs/dbraw/zinc/06/99/21/1066069921.db2.gz PSOVGMQCBUNYNT-HXUWFJFHSA-N 0 0 480.510 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCOCCc1ccccc1 ZINC001441790363 1066069935 /nfs/dbraw/zinc/06/99/35/1066069935.db2.gz HQGSBJDPLSGDRJ-XMMPIXPASA-N 0 0 452.595 4.504 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001360913349 1066070101 /nfs/dbraw/zinc/07/01/01/1066070101.db2.gz VRILLDCXKSPYFV-KBPBESRZSA-N 0 0 461.383 4.603 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(F)F ZINC001360913335 1066070273 /nfs/dbraw/zinc/07/02/73/1066070273.db2.gz VBDRZEHDVZMMBD-UHFFFAOYSA-N 0 0 459.364 4.525 20 0 JJADRN CC(C)c1[nH]nc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1Br ZINC001441798553 1066070336 /nfs/dbraw/zinc/07/03/36/1066070336.db2.gz RWOBKLCNOOSPGM-UHFFFAOYSA-N 0 0 457.328 4.565 20 0 JJADRN Cc1nc(NC(=O)/C(=C/c2ccccc2)n2nnnc2C)sc1Cc1ccccc1Cl ZINC001441801419 1066070347 /nfs/dbraw/zinc/07/03/47/1066070347.db2.gz OZGORCAAQLEHKF-UNOMPAQXSA-N 0 0 450.955 4.627 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001360914797 1066070687 /nfs/dbraw/zinc/07/06/87/1066070687.db2.gz NKRYCQKLOKAWPC-OAQYLSRUSA-N 0 0 460.985 4.511 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C(C)C ZINC001360914409 1066070764 /nfs/dbraw/zinc/07/07/64/1066070764.db2.gz FGXLQKXVFKVGIS-QFIPXVFZSA-N 0 0 487.693 4.928 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC001441804711 1066070811 /nfs/dbraw/zinc/07/08/11/1066070811.db2.gz WPIXNGUOZWEFBC-UHFFFAOYSA-N 0 0 455.967 4.963 20 0 JJADRN CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441809039 1066071047 /nfs/dbraw/zinc/07/10/47/1066071047.db2.gz IYKQQGBVIZEOIG-RTBURBONSA-N 0 0 458.400 4.599 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC001441809427 1066071239 /nfs/dbraw/zinc/07/12/39/1066071239.db2.gz BSUUFKGNJHFPHR-SANMLTNESA-N 0 0 457.615 4.985 20 0 JJADRN COc1ccc(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1OCCO ZINC001441810396 1066071531 /nfs/dbraw/zinc/07/15/31/1066071531.db2.gz DMBINSZYZKAEKM-UHFFFAOYSA-N 0 0 451.485 4.570 20 0 JJADRN CCc1c2ccccc2oc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC001441809942 1066071540 /nfs/dbraw/zinc/07/15/40/1066071540.db2.gz JKGFAQUTUNBGQQ-UHFFFAOYSA-N 0 0 456.340 4.644 20 0 JJADRN C[C@H](NC(=O)c1nc(Br)ccc1Br)c1nc(C2CCCCC2)no1 ZINC001360915343 1066071528 /nfs/dbraw/zinc/07/15/28/1066071528.db2.gz DRAPXVNQYKKLAM-VIFPVBQESA-N 0 0 458.154 4.528 20 0 JJADRN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001441809629 1066071682 /nfs/dbraw/zinc/07/16/82/1066071682.db2.gz HYUJJPOIXUJLNV-ROUUACIJSA-N 0 0 454.439 4.748 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1c1cccc(Br)c1 ZINC001441812480 1066071959 /nfs/dbraw/zinc/07/19/59/1066071959.db2.gz ATERHBBGZNNSIM-FUHWJXTLSA-N 0 0 451.158 4.879 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001360916549 1066072251 /nfs/dbraw/zinc/07/22/51/1066072251.db2.gz QZWYYLOYBPFFLN-DNQXCXABSA-N 0 0 486.705 4.893 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360916505 1066072357 /nfs/dbraw/zinc/07/23/57/1066072357.db2.gz OTRHPWIGGYTOGQ-UHFFFAOYSA-N 0 0 465.360 4.560 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360916656 1066072542 /nfs/dbraw/zinc/07/25/42/1066072542.db2.gz VRAZWIYHCRHZIF-VQIMIIECSA-N 0 0 467.445 4.760 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001360916938 1066072627 /nfs/dbraw/zinc/07/26/27/1066072627.db2.gz DGKNGUOTAQBIQQ-UHFFFAOYSA-N 0 0 456.306 4.805 20 0 JJADRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001441817668 1066073010 /nfs/dbraw/zinc/07/30/10/1066073010.db2.gz MNFDUOOIEZDYQG-XUTJKUGGSA-N 0 0 457.615 4.889 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001360918179 1066073941 /nfs/dbraw/zinc/07/39/41/1066073941.db2.gz LORVXAUTAXQCTO-QZTJIDSGSA-N 0 0 476.046 4.942 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001360918479 1066074280 /nfs/dbraw/zinc/07/42/80/1066074280.db2.gz UBHNEGFBZPWPEM-LJQANCHMSA-N 0 0 490.471 4.967 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc1Cl ZINC001441824462 1066074384 /nfs/dbraw/zinc/07/43/84/1066074384.db2.gz OQBUAJCMVNVMCJ-UTKZUKDTSA-N 0 0 453.970 4.736 20 0 JJADRN Cc1ccc(F)c(-n2nc(C(=O)NCCCC(=O)Nc3ccc(Cl)cc3)c3c2CCC3)c1 ZINC001441850534 1066074860 /nfs/dbraw/zinc/07/48/60/1066074860.db2.gz BNMSLBNFTFJZEK-UHFFFAOYSA-N 0 0 454.933 4.611 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)C1 ZINC001360919809 1066075070 /nfs/dbraw/zinc/07/50/70/1066075070.db2.gz BWZDJEDOOCKKIB-GFCCVEGCSA-N 0 0 482.448 4.796 20 0 JJADRN CCc1ccc(-n2nc(C(=O)NCCCC(=O)Nc3ccc(Cl)cc3)c3c2CCC3)cc1 ZINC001441854606 1066075326 /nfs/dbraw/zinc/07/53/26/1066075326.db2.gz OMNXGUGUUSAZTC-UHFFFAOYSA-N 0 0 450.970 4.726 20 0 JJADRN O=C(CCCNC(=O)CSCc1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC001441850620 1066075484 /nfs/dbraw/zinc/07/54/84/1066075484.db2.gz DGCAKWRMMHMJAG-UHFFFAOYSA-N 0 0 455.805 4.871 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360919847 1066075500 /nfs/dbraw/zinc/07/55/00/1066075500.db2.gz CXUKCLMSUZQCCH-GOSISDBHSA-N 0 0 494.434 4.716 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC001441872369 1066075686 /nfs/dbraw/zinc/07/56/86/1066075686.db2.gz VCBXZBYZZLGPEQ-GOSISDBHSA-N 0 0 456.789 4.792 20 0 JJADRN COc1cc([C@H](C)NC(=O)Cc2cccnc2Br)ccc1OCc1ccccc1 ZINC001441868900 1066075895 /nfs/dbraw/zinc/07/58/95/1066075895.db2.gz PWXMJIITKFDOEJ-INIZCTEOSA-N 0 0 455.352 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@H]1CC=CCC1 ZINC001545944855 1066076397 /nfs/dbraw/zinc/07/63/97/1066076397.db2.gz XFLAWIVSGGQFDM-SELNLUPBSA-N 0 0 469.605 4.658 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNC(=O)C(C)C ZINC001360920183 1066076407 /nfs/dbraw/zinc/07/64/07/1066076407.db2.gz QPBWXUOKKHOLNX-UHFFFAOYSA-N 0 0 464.010 4.559 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360921118 1066077068 /nfs/dbraw/zinc/07/70/68/1066077068.db2.gz BJUXPSOIFLHWNH-QFBILLFUSA-N 0 0 474.675 4.683 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360921117 1066077203 /nfs/dbraw/zinc/07/72/03/1066077203.db2.gz BJUXPSOIFLHWNH-LPHOPBHVSA-N 0 0 474.675 4.683 20 0 JJADRN COc1cccc(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001441883318 1066077408 /nfs/dbraw/zinc/07/74/08/1066077408.db2.gz KRGACQAFVKZWNM-IBGZPJMESA-N 0 0 456.608 4.897 20 0 JJADRN Cc1ccsc1CCn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360921381 1066077473 /nfs/dbraw/zinc/07/74/73/1066077473.db2.gz HSTNAMZGEOHCCX-KRWDZBQOSA-N 0 0 459.660 4.898 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(OCc2ccccn2)cc1 ZINC001441885408 1066077673 /nfs/dbraw/zinc/07/76/73/1066077673.db2.gz BPFYNADFFZRRBW-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)cc1C ZINC001441885499 1066077786 /nfs/dbraw/zinc/07/77/86/1066077786.db2.gz NKGMQBGWTKCYGW-UHFFFAOYSA-N 0 0 450.358 4.561 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001441885370 1066077796 /nfs/dbraw/zinc/07/77/96/1066077796.db2.gz NHTPRXYHQLNHLX-VGSWGCGISA-N 0 0 455.599 4.943 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001441884863 1066077874 /nfs/dbraw/zinc/07/78/74/1066077874.db2.gz PRIFXRFZGHINCP-YLJYHZDGSA-N 0 0 469.557 4.587 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)c2)o1 ZINC001360922595 1066077987 /nfs/dbraw/zinc/07/79/87/1066077987.db2.gz XRLDZFIVQGPLLL-UHFFFAOYSA-N 0 0 450.539 4.961 20 0 JJADRN O=C(Cc1cnccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001441890816 1066079344 /nfs/dbraw/zinc/07/93/44/1066079344.db2.gz XOUUPZZLHYFEKN-UHFFFAOYSA-N 0 0 454.310 4.510 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001360923488 1066079427 /nfs/dbraw/zinc/07/94/27/1066079427.db2.gz VINXKMYUXRTYHN-IBGZPJMESA-N 0 0 477.581 4.664 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 ZINC001360923640 1066079461 /nfs/dbraw/zinc/07/94/61/1066079461.db2.gz YVHWLPXBZDCVLJ-LJQANCHMSA-N 0 0 475.659 4.580 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1 ZINC001441893446 1066079797 /nfs/dbraw/zinc/07/97/97/1066079797.db2.gz PMBMJQJBKMHLEG-SIKLNZKXSA-N 0 0 469.557 4.778 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360924140 1066079935 /nfs/dbraw/zinc/07/99/35/1066079935.db2.gz JMVWFYXXVREQMJ-DNVCBOLYSA-N 0 0 468.520 4.777 20 0 JJADRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc4nnc(C(C)(C)C)n4c3)c2)c1 ZINC001441898373 1066080172 /nfs/dbraw/zinc/08/01/72/1066080172.db2.gz WGXPSBZJOPTQPG-UHFFFAOYSA-N 0 0 456.550 4.909 20 0 JJADRN Cc1ccsc1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360924404 1066080320 /nfs/dbraw/zinc/08/03/20/1066080320.db2.gz OLHLYEHNULUDAK-NRFANRHFSA-N 0 0 496.681 4.712 20 0 JJADRN Cc1ccsc1CCn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360924193 1066080398 /nfs/dbraw/zinc/08/03/98/1066080398.db2.gz KRWQDGFWFGPRHD-MJGOQNOKSA-N 0 0 459.660 4.583 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001441911280 1066080583 /nfs/dbraw/zinc/08/05/83/1066080583.db2.gz FXRCJUZLEQXRGC-SFTDATJTSA-N 0 0 454.935 4.562 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(F)cc2I)cc1 ZINC001360925369 1066081185 /nfs/dbraw/zinc/08/11/85/1066081185.db2.gz BOQGUYTUBIJNTF-BEFAXECRSA-N 0 0 453.295 4.636 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1Cl ZINC001441921851 1066081411 /nfs/dbraw/zinc/08/14/11/1066081411.db2.gz ZMECJJLTUHSQOI-FQEVSTJZSA-N 0 0 456.974 4.962 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360925946 1066082180 /nfs/dbraw/zinc/08/21/80/1066082180.db2.gz DIQKENHCTLYVEM-MOPGFXCFSA-N 0 0 489.686 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCOc2ccc3c(c2)CCC3)c2ccccc21 ZINC001441956357 1066082496 /nfs/dbraw/zinc/08/24/96/1066082496.db2.gz JTPLTYLBLHEGNL-OAQYLSRUSA-N 0 0 450.579 4.989 20 0 JJADRN CC(C)(C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001441954974 1066082704 /nfs/dbraw/zinc/08/27/04/1066082704.db2.gz GSWKQAQNBRRONB-UHFFFAOYSA-N 0 0 454.533 4.894 20 0 JJADRN Cc1ccsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360926250 1066082600 /nfs/dbraw/zinc/08/26/00/1066082600.db2.gz JPMOJHBYJAHGHS-UHFFFAOYSA-N 0 0 490.098 4.928 20 0 JJADRN Cc1ccsc1CCn1c(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nnc1C(C)(C)C ZINC001360926353 1066082772 /nfs/dbraw/zinc/08/27/72/1066082772.db2.gz MPDYODRBOMPBAX-IBGZPJMESA-N 0 0 453.656 4.844 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1OCC(F)(F)F ZINC001441957127 1066083149 /nfs/dbraw/zinc/08/31/49/1066083149.db2.gz HIZHDJXSJZEWHZ-SFHVURJKSA-N 0 0 456.892 4.742 20 0 JJADRN Cc1ccsc1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360926737 1066083508 /nfs/dbraw/zinc/08/35/08/1066083508.db2.gz ZFNUKJMWBSEYFZ-HUUCEWRRSA-N 0 0 483.585 4.517 20 0 JJADRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)OCc2cc(Br)ccc2F)s1 ZINC001360927905 1066083950 /nfs/dbraw/zinc/08/39/50/1066083950.db2.gz RAJLSIFAZSMIMW-MRXNPFEDSA-N 0 0 450.333 4.614 20 0 JJADRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001360928719 1066084175 /nfs/dbraw/zinc/08/41/75/1066084175.db2.gz MXZGJSMAALEFEJ-GOSISDBHSA-N 0 0 456.574 4.971 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC001360928357 1066084232 /nfs/dbraw/zinc/08/42/32/1066084232.db2.gz FQNUZZZSCBEDHM-OAQYLSRUSA-N 0 0 453.384 4.544 20 0 JJADRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001360928720 1066084371 /nfs/dbraw/zinc/08/43/71/1066084371.db2.gz MXZGJSMAALEFEJ-SFHVURJKSA-N 0 0 456.574 4.971 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCOc1ncccc1F ZINC001360929546 1066085217 /nfs/dbraw/zinc/08/52/17/1066085217.db2.gz IRTQWTUDWHLYHD-INIZCTEOSA-N 0 0 486.548 4.572 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCCCO2)cnn1C ZINC001360929851 1066086028 /nfs/dbraw/zinc/08/60/28/1066086028.db2.gz NTNKQVXQMKLFIH-WIYYLYMNSA-N 0 0 473.021 4.709 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360929817 1066086077 /nfs/dbraw/zinc/08/60/77/1066086077.db2.gz NDGVIFLUOTZVJS-LHSJRXKWSA-N 0 0 476.444 4.660 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCS1 ZINC001360929829 1066086090 /nfs/dbraw/zinc/08/60/90/1066086090.db2.gz NJPQRRNAWXJBLU-FQEVSTJZSA-N 0 0 464.433 4.870 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCCCO2)cnn1C ZINC001360929848 1066086110 /nfs/dbraw/zinc/08/61/10/1066086110.db2.gz NTNKQVXQMKLFIH-GHTZIAJQSA-N 0 0 473.021 4.709 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N(C)C1CCCCC1 ZINC001360929855 1066086203 /nfs/dbraw/zinc/08/62/03/1066086203.db2.gz NTZBATBTSCJBBL-LJQANCHMSA-N 0 0 483.588 4.886 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N(C)C1CCCCC1 ZINC001360929854 1066086252 /nfs/dbraw/zinc/08/62/52/1066086252.db2.gz NTZBATBTSCJBBL-IBGZPJMESA-N 0 0 483.588 4.886 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCS1 ZINC001360929830 1066086263 /nfs/dbraw/zinc/08/62/63/1066086263.db2.gz NJPQRRNAWXJBLU-HXUWFJFHSA-N 0 0 464.433 4.870 20 0 JJADRN Cc1nccn1-c1ncccc1CNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001442033135 1066086807 /nfs/dbraw/zinc/08/68/07/1066086807.db2.gz MPNZAXQBJJTDBE-UHFFFAOYSA-N 0 0 457.481 4.956 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360930335 1066086927 /nfs/dbraw/zinc/08/69/27/1066086927.db2.gz TVUUMXKNRTVNLF-RCCFBDPRSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1ccc(C2(C(=O)NCc3cccnc3-n3cccn3)CCCCC2)c(Br)c1 ZINC001442031477 1066086962 /nfs/dbraw/zinc/08/69/62/1066086962.db2.gz RLJFXTIOQAYDSW-UHFFFAOYSA-N 0 0 453.384 4.857 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c(O)c1)c1cc(F)cc(F)c1 ZINC001442036721 1066087306 /nfs/dbraw/zinc/08/73/06/1066087306.db2.gz JPGASJBPBIJLFO-LJQANCHMSA-N 0 0 450.363 4.956 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001442042957 1066087334 /nfs/dbraw/zinc/08/73/34/1066087334.db2.gz FPDDLMOMRQOMNN-QGZVFWFLSA-N 0 0 453.380 4.883 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001360931041 1066087790 /nfs/dbraw/zinc/08/77/90/1066087790.db2.gz YTDMYAZTSCAJAS-MIFYACCESA-N 0 0 493.475 4.651 20 0 JJADRN Cc1cccc(C)c1Oc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC001442049791 1066087692 /nfs/dbraw/zinc/08/76/92/1066087692.db2.gz MZZIXCLTRIHVCZ-UHFFFAOYSA-N 0 0 450.969 4.728 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001442045952 1066087841 /nfs/dbraw/zinc/08/78/41/1066087841.db2.gz IPKDEYHUWRNHJM-AFAVFJNCSA-N 0 0 453.302 4.613 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001442055663 1066088106 /nfs/dbraw/zinc/08/81/06/1066088106.db2.gz WBIQSKVAAXQGOB-KVSKMBFKSA-N 0 0 453.421 4.970 20 0 JJADRN O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)OCc1cnccn1 ZINC001360931147 1066088135 /nfs/dbraw/zinc/08/81/35/1066088135.db2.gz MFGZYSVYKBEFLQ-UHFFFAOYSA-N 0 0 458.465 4.729 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001360931042 1066088219 /nfs/dbraw/zinc/08/82/19/1066088219.db2.gz YTDMYAZTSCAJAS-ZIAGYGMSSA-N 0 0 493.475 4.651 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1NCc1ccco1 ZINC001442050160 1066088277 /nfs/dbraw/zinc/08/82/77/1066088277.db2.gz NPUWLDZAQHBWRE-KRWDZBQOSA-N 0 0 454.368 4.911 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCOC(C)C)cnn1C ZINC001360932028 1066088920 /nfs/dbraw/zinc/08/89/20/1066088920.db2.gz CNNSFCLKMHGJSS-QGZVFWFLSA-N 0 0 456.660 4.625 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1CCCCO1 ZINC001360932068 1066089048 /nfs/dbraw/zinc/08/90/48/1066089048.db2.gz DONCLFXKANKUOX-INIZCTEOSA-N 0 0 479.448 4.786 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442068342 1066088986 /nfs/dbraw/zinc/08/89/86/1066088986.db2.gz ICTCVFAPNMLSOQ-UHFFFAOYSA-N 0 0 455.486 4.818 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC001442065293 1066089081 /nfs/dbraw/zinc/08/90/81/1066089081.db2.gz VFHROIOIGSUCIC-ZWKOTPCHSA-N 0 0 451.405 4.680 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccnc(Cl)c1Br ZINC001442065053 1066089285 /nfs/dbraw/zinc/08/92/85/1066089285.db2.gz PQJJIIFZYAMXTB-UHFFFAOYSA-N 0 0 453.123 4.613 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(=O)C(C)C ZINC001360932109 1066089262 /nfs/dbraw/zinc/08/92/62/1066089262.db2.gz FSKADAATEFRRSO-UHFFFAOYSA-N 0 0 486.711 4.839 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCOC(C)C ZINC001360932229 1066089335 /nfs/dbraw/zinc/08/93/35/1066089335.db2.gz JACYCXRVQSRWMI-UHFFFAOYSA-N 0 0 464.408 4.789 20 0 JJADRN CNc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)c(Cl)c1 ZINC001442069328 1066089549 /nfs/dbraw/zinc/08/95/49/1066089549.db2.gz KSENDKQOXWTOPY-UHFFFAOYSA-N 0 0 451.882 4.713 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1c(Cl)cncc1Cl ZINC001442069353 1066089562 /nfs/dbraw/zinc/08/95/62/1066089562.db2.gz LDXITKIQRHANGZ-UHFFFAOYSA-N 0 0 458.273 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCC1(c3ccc(Br)cc3)CCC1)C2 ZINC001442071184 1066089574 /nfs/dbraw/zinc/08/95/74/1066089574.db2.gz JHSOPAGKAISZAA-QYZOEREBSA-N 0 0 463.416 4.775 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCSCC(F)(F)F)cnn1C ZINC001360932312 1066089698 /nfs/dbraw/zinc/08/96/98/1066089698.db2.gz KXPSOJHVOOUIRD-UHFFFAOYSA-N 0 0 490.502 4.520 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)c3sccc3S(=O)(=O)N3CCCC3)ccc2C)c1 ZINC001360932351 1066089773 /nfs/dbraw/zinc/08/97/73/1066089773.db2.gz BYCOWBBBAXNONR-UHFFFAOYSA-N 0 0 457.577 4.589 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442077946 1066090037 /nfs/dbraw/zinc/09/00/37/1066090037.db2.gz QTPLTLWEGLWRMM-AVRDEDQJSA-N 0 0 453.583 4.974 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442077954 1066090533 /nfs/dbraw/zinc/09/05/33/1066090533.db2.gz QTPLTLWEGLWRMM-GCJKJVERSA-N 0 0 453.583 4.974 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@H]1C ZINC001360932752 1066090620 /nfs/dbraw/zinc/09/06/20/1066090620.db2.gz RUZDGLCVPUNLMI-JLCFBVMHSA-N 0 0 477.378 4.936 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)C(C)(C)C ZINC001360932980 1066091091 /nfs/dbraw/zinc/09/10/91/1066091091.db2.gz VZVSXRNCLZERRY-UHFFFAOYSA-N 0 0 492.393 4.547 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCSC1 ZINC001360933170 1066091103 /nfs/dbraw/zinc/09/11/03/1066091103.db2.gz WTQDEHIEAAJVCS-CYBMUJFWSA-N 0 0 467.462 4.580 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC001360933705 1066091497 /nfs/dbraw/zinc/09/14/97/1066091497.db2.gz SBKHPUPGQJVXHJ-MRXNPFEDSA-N 0 0 456.999 4.843 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(NC(=O)c3ccco3)c(Cl)c1)C2 ZINC001442083284 1066091840 /nfs/dbraw/zinc/09/18/40/1066091840.db2.gz IWFBQJCUAUORHR-VKJFTORMSA-N 0 0 459.930 4.912 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545946005 1066091894 /nfs/dbraw/zinc/09/18/94/1066091894.db2.gz IKQANTCLKHEDGK-ICSRJNTNSA-N 0 0 459.610 4.818 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001360934261 1066091986 /nfs/dbraw/zinc/09/19/86/1066091986.db2.gz ZGVAHAXMZGABPH-QGZVFWFLSA-N 0 0 458.002 4.974 20 0 JJADRN CCCc1c(C(=O)OCc2ccc(C)c(OC)c2)nnn1Cc1cccc(Br)c1 ZINC001360934269 1066092151 /nfs/dbraw/zinc/09/21/51/1066092151.db2.gz UGQLTVTZIFXROH-UHFFFAOYSA-N 0 0 458.356 4.715 20 0 JJADRN CCc1nnc(NC(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001442100221 1066092927 /nfs/dbraw/zinc/09/29/27/1066092927.db2.gz KHRRMUMNMBPRBR-XMMPIXPASA-N 0 0 450.564 4.746 20 0 JJADRN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442102059 1066093237 /nfs/dbraw/zinc/09/32/37/1066093237.db2.gz BKDJTJREDVMSCZ-AWEZNQCLSA-N 0 0 452.761 4.768 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442102023 1066093315 /nfs/dbraw/zinc/09/33/15/1066093315.db2.gz BCXOWZCYQNIMAD-ZCNNSNEGSA-N 0 0 481.431 4.823 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2Cc2ccc(Cl)nc2)cnn1C ZINC001360934829 1066093633 /nfs/dbraw/zinc/09/36/33/1066093633.db2.gz NDIXNVKJRUVRRH-UHFFFAOYSA-N 0 0 492.834 4.544 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cnn(C)c1 ZINC001360934833 1066093646 /nfs/dbraw/zinc/09/36/46/1066093646.db2.gz NIBNMHWNAOZDJM-UHFFFAOYSA-N 0 0 475.778 4.681 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC001442105464 1066093819 /nfs/dbraw/zinc/09/38/19/1066093819.db2.gz LCBWINYEJCOOFO-UHFFFAOYSA-N 0 0 458.578 4.787 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)c2ccccc2F)cnn1C ZINC001360934966 1066093924 /nfs/dbraw/zinc/09/39/24/1066093924.db2.gz SAHXYOSWIODDAT-UHFFFAOYSA-N 0 0 467.980 4.789 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)cc2C(F)(F)F)cnn1C ZINC001360934957 1066093974 /nfs/dbraw/zinc/09/39/74/1066093974.db2.gz RQRADAAHBLHMIX-UHFFFAOYSA-N 0 0 493.896 4.878 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)cc2)n1CCOCC(F)(F)C(F)F ZINC001360934917 1066094098 /nfs/dbraw/zinc/09/40/98/1066094098.db2.gz QPPMGDIPHVFEGD-UHFFFAOYSA-N 0 0 477.915 4.917 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCOCC1 ZINC001360935014 1066094449 /nfs/dbraw/zinc/09/44/49/1066094449.db2.gz UOOYAKRODKCOSP-UHFFFAOYSA-N 0 0 495.480 4.764 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001360935301 1066094880 /nfs/dbraw/zinc/09/48/80/1066094880.db2.gz FJYTVCUQCWYWBQ-OAHLLOKOSA-N 0 0 474.606 4.741 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001442111759 1066094929 /nfs/dbraw/zinc/09/49/29/1066094929.db2.gz KXNLBMZWQSEMBZ-AXUYNXDZSA-N 0 0 459.590 4.574 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2F)n1CCc1nccc(C(F)(F)F)n1 ZINC001360935722 1066095584 /nfs/dbraw/zinc/09/55/84/1066095584.db2.gz UWBZIYYBCMCTOJ-UHFFFAOYSA-N 0 0 460.435 4.674 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3Br)n2CC2=CCCCC2)cnn1C ZINC001360935683 1066095595 /nfs/dbraw/zinc/09/55/95/1066095595.db2.gz STAFJUYUSVUICS-UHFFFAOYSA-N 0 0 455.404 4.886 20 0 JJADRN CC[C@@H](C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001360936295 1066095931 /nfs/dbraw/zinc/09/59/31/1066095931.db2.gz RZERUYLHJMPBRZ-JOCHJYFZSA-N 0 0 457.412 4.636 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2Br)C1)C(=O)OC(C)(C)C ZINC001442119986 1066096347 /nfs/dbraw/zinc/09/63/47/1066096347.db2.gz OUOBKUJUHOEQOP-AWEZNQCLSA-N 0 0 451.361 4.914 20 0 JJADRN CC[C@H](C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc(Br)cc1 ZINC001360936296 1066096436 /nfs/dbraw/zinc/09/64/36/1066096436.db2.gz RZERUYLHJMPBRZ-QFIPXVFZSA-N 0 0 457.412 4.636 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)CCNC(=O)c3ccc(Br)cc3)sc2C1 ZINC001360936350 1066096445 /nfs/dbraw/zinc/09/64/45/1066096445.db2.gz UXLZDKAFDMQVPM-CYBMUJFWSA-N 0 0 450.402 4.569 20 0 JJADRN Cc1ccc(CN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C(C)C)s1 ZINC001442115729 1066096497 /nfs/dbraw/zinc/09/64/97/1066096497.db2.gz CSJIODVISRSUCK-UHFFFAOYSA-N 0 0 456.633 4.894 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)c2oc3ccccc3c2Br)C1)C(=O)OC(C)(C)C ZINC001442120042 1066096514 /nfs/dbraw/zinc/09/65/14/1066096514.db2.gz OUOBKUJUHOEQOP-CQSZACIVSA-N 0 0 451.361 4.914 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1OC(F)(F)F ZINC001360937196 1066096653 /nfs/dbraw/zinc/09/66/53/1066096653.db2.gz MLRZRDUYADBQBW-UHFFFAOYSA-N 0 0 462.501 4.632 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)c3csc(I)n3)ccc2C)c1 ZINC001360938731 1066097221 /nfs/dbraw/zinc/09/72/21/1066097221.db2.gz YXCUBIXGOCFBTA-UHFFFAOYSA-N 0 0 451.289 4.804 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)C1 ZINC001360939346 1066097255 /nfs/dbraw/zinc/09/72/55/1066097255.db2.gz MUPCVHHZOWISOQ-LPHOPBHVSA-N 0 0 450.558 4.911 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001442127331 1066097181 /nfs/dbraw/zinc/09/71/81/1066097181.db2.gz ZQAKJBZVFHRDGX-SFHVURJKSA-N 0 0 458.578 4.683 20 0 JJADRN C/C(Cl)=C/C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 ZINC001442134122 1066097229 /nfs/dbraw/zinc/09/72/29/1066097229.db2.gz XGXRHBZKFDDBJF-NTMALXAHSA-N 0 0 458.658 4.764 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)Nc2cnc(Br)cn2)c2cnn(C(C)C)c2n1 ZINC001360939362 1066097502 /nfs/dbraw/zinc/09/75/02/1066097502.db2.gz NGGOTYGFNQNYDA-UHFFFAOYSA-N 0 0 451.328 4.792 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360939976 1066097541 /nfs/dbraw/zinc/09/75/41/1066097541.db2.gz AOIGEJPTWHMTJP-HNNXBMFYSA-N 0 0 469.508 4.780 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001360940534 1066097582 /nfs/dbraw/zinc/09/75/82/1066097582.db2.gz NFNMXJZQDCLINI-RBUKOAKNSA-N 0 0 476.597 4.502 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001442149715 1066097562 /nfs/dbraw/zinc/09/75/62/1066097562.db2.gz JOUHLIFOTVSORD-CVEARBPZSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1occc1CN(C)c1nnc(C2CCC2)n1Cc1ccc(I)cc1 ZINC001360940941 1066097833 /nfs/dbraw/zinc/09/78/33/1066097833.db2.gz SVYILKAHBFZWJG-UHFFFAOYSA-N 0 0 462.335 4.736 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2CCCCO2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360940979 1066097862 /nfs/dbraw/zinc/09/78/62/1066097862.db2.gz LHGSJOITQCLPOB-OAHLLOKOSA-N 0 0 455.506 4.776 20 0 JJADRN CCO[C@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001442153108 1066097985 /nfs/dbraw/zinc/09/79/85/1066097985.db2.gz DHIDBDMNJJSEOW-FQEVSTJZSA-N 0 0 450.579 4.723 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC1(C)C ZINC001360941363 1066098141 /nfs/dbraw/zinc/09/81/41/1066098141.db2.gz OZRDDSRUBVDVMQ-SFHVURJKSA-N 0 0 474.675 4.840 20 0 JJADRN Cc1c(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCCC2)cnn1C ZINC001360941780 1066098220 /nfs/dbraw/zinc/09/82/20/1066098220.db2.gz YIEXRHXZBJBEIU-UHFFFAOYSA-N 0 0 485.677 4.651 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)Cc1ccc(C)c(Br)c1 ZINC001360942277 1066098257 /nfs/dbraw/zinc/09/82/57/1066098257.db2.gz LKIYFNSDOYURDO-UHFFFAOYSA-N 0 0 455.146 4.796 20 0 JJADRN O=C(Nc1cccc(NC(=O)C2(O)Cc3ccccc3C2)c1)Nc1cccc(C(F)(F)F)c1 ZINC001442160770 1066098362 /nfs/dbraw/zinc/09/83/62/1066098362.db2.gz RIGXMYHHKGIHKB-UHFFFAOYSA-N 0 0 455.436 4.818 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c(C)c1 ZINC001442155721 1066098431 /nfs/dbraw/zinc/09/84/31/1066098431.db2.gz UKQCFMVCIMZNCL-LJQANCHMSA-N 0 0 459.502 4.501 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c(C)c1 ZINC001442155717 1066098487 /nfs/dbraw/zinc/09/84/87/1066098487.db2.gz UKQCFMVCIMZNCL-IBGZPJMESA-N 0 0 459.502 4.501 20 0 JJADRN CCCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943007 1066098587 /nfs/dbraw/zinc/09/85/87/1066098587.db2.gz DFJVVCCXYQEIAX-NTKDMRAZSA-N 0 0 458.541 4.772 20 0 JJADRN COC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 ZINC001360942576 1066098669 /nfs/dbraw/zinc/09/86/69/1066098669.db2.gz TXHVNFSWPCZSKQ-VWLOTQADSA-N 0 0 459.521 4.733 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccc1F ZINC001360944145 1066099015 /nfs/dbraw/zinc/09/90/15/1066099015.db2.gz NPCUZRWCCXURIF-JOCHJYFZSA-N 0 0 499.587 4.506 20 0 JJADRN CSCC[C@@H](CC(=O)Nc1ccc(C)cc1OCC(F)(F)F)NC(=O)OC(C)(C)C ZINC001442176198 1066099161 /nfs/dbraw/zinc/09/91/61/1066099161.db2.gz VOICFZBTDMIKGT-AWEZNQCLSA-N 0 0 450.523 4.911 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442175006 1066099313 /nfs/dbraw/zinc/09/93/13/1066099313.db2.gz RKPPGRQHHVZKEL-HOTGVXAUSA-N 0 0 451.995 4.654 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CCOc1ncccc1Cl ZINC001360944659 1066099470 /nfs/dbraw/zinc/09/94/70/1066099470.db2.gz DWOUUSAEBJQVBG-UHFFFAOYSA-N 0 0 490.967 4.676 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCc4cc(C)ccc43)c2)cc1 ZINC001442180536 1066099625 /nfs/dbraw/zinc/09/96/25/1066099625.db2.gz JTKFFZMXKQSGJT-DEOSSOPVSA-N 0 0 450.560 4.612 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)C(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC001442185055 1066099953 /nfs/dbraw/zinc/09/99/53/1066099953.db2.gz BPTUQMFMYDDXPP-UHFFFAOYSA-N 0 0 453.377 4.697 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1OC[C@H]1CCCCO1 ZINC001442190042 1066100598 /nfs/dbraw/zinc/10/05/98/1066100598.db2.gz XJKYTGRFIGOCPM-OAHLLOKOSA-N 0 0 458.967 4.871 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360946609 1066101223 /nfs/dbraw/zinc/10/12/23/1066101223.db2.gz MCBUANBYDHTIJX-QGZVFWFLSA-N 0 0 473.643 4.971 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](C)Oc1ccccc1F ZINC001360946829 1066101382 /nfs/dbraw/zinc/10/13/82/1066101382.db2.gz PXNDFDRCXQJHQS-HNNXBMFYSA-N 0 0 457.600 4.938 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(C(C)(F)F)cc2)cnn1C ZINC001360947044 1066101923 /nfs/dbraw/zinc/10/19/23/1066101923.db2.gz WVNGSDBJJVDPLM-UHFFFAOYSA-N 0 0 456.566 4.769 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccnc1)C(C)C ZINC001360947150 1066101942 /nfs/dbraw/zinc/10/19/42/1066101942.db2.gz AFSARSZDFQTQJW-IBGZPJMESA-N 0 0 495.678 4.506 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001360947376 1066102285 /nfs/dbraw/zinc/10/22/85/1066102285.db2.gz JPGYQTKDMUYSLZ-ICSRJNTNSA-N 0 0 455.628 4.506 20 0 JJADRN CSCC[C@@H](CC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001442212529 1066102381 /nfs/dbraw/zinc/10/23/81/1066102381.db2.gz VJRYKAWATKHKGN-ROUUACIJSA-N 0 0 452.617 4.528 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC001442208888 1066102523 /nfs/dbraw/zinc/10/25/23/1066102523.db2.gz OOXZEFZQVGDBNK-NSHDSACASA-N 0 0 458.150 4.658 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1Cc1cccc(Br)n1 ZINC001360947609 1066103061 /nfs/dbraw/zinc/10/30/61/1066103061.db2.gz RWLVDZMFTSJPMU-UHFFFAOYSA-N 0 0 499.438 4.507 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1Cc1ccnc(OC(F)F)c1 ZINC001360947786 1066103153 /nfs/dbraw/zinc/10/31/53/1066103153.db2.gz ZDMQTYLOAQDJLX-UHFFFAOYSA-N 0 0 470.549 4.509 20 0 JJADRN O=C(CCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 ZINC001442230559 1066105174 /nfs/dbraw/zinc/10/51/74/1066105174.db2.gz FOBALUZGYUPEAU-HXUWFJFHSA-N 0 0 456.612 4.512 20 0 JJADRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001442232045 1066105832 /nfs/dbraw/zinc/10/58/32/1066105832.db2.gz KNWRCXODVMIFCS-UHFFFAOYSA-N 0 0 453.562 4.802 20 0 JJADRN CC(C)(C)c1ccc([C@@H](NC(=O)CNC(=O)NCc2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001442233998 1066105882 /nfs/dbraw/zinc/10/58/82/1066105882.db2.gz PLLYFNIGFVMWTP-LJQANCHMSA-N 0 0 455.908 4.857 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 ZINC001360949704 1066106309 /nfs/dbraw/zinc/10/63/09/1066106309.db2.gz PUXFJRIYRMYHLY-SFHVURJKSA-N 0 0 472.615 4.587 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001442246076 1066107310 /nfs/dbraw/zinc/10/73/10/1066107310.db2.gz FKXUHOIDNASNQS-UHFFFAOYSA-N 0 0 450.760 4.597 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001360950008 1066107553 /nfs/dbraw/zinc/10/75/53/1066107553.db2.gz CACYLJVIASKXAN-FNAHDJPLSA-N 0 0 487.645 4.648 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001360951198 1066108018 /nfs/dbraw/zinc/10/80/18/1066108018.db2.gz QHCGFIQKPRXKEP-FQEVSTJZSA-N 0 0 458.505 4.520 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC001442248530 1066108360 /nfs/dbraw/zinc/10/83/60/1066108360.db2.gz LQLAKVTWZANAMJ-GFCCVEGCSA-N 0 0 455.736 4.503 20 0 JJADRN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCSCC2)cc1 ZINC001360953920 1066110404 /nfs/dbraw/zinc/11/04/04/1066110404.db2.gz LCXLHCLZMVZWFD-UHFFFAOYSA-N 0 0 459.615 4.864 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001360954179 1066110968 /nfs/dbraw/zinc/11/09/68/1066110968.db2.gz NKNBRTJMTUTSBV-UHFFFAOYSA-N 0 0 450.438 4.860 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442281722 1066111184 /nfs/dbraw/zinc/11/11/84/1066111184.db2.gz BECKKXCXEICCIK-NBVRZTHBSA-N 0 0 454.851 4.800 20 0 JJADRN O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442281838 1066111315 /nfs/dbraw/zinc/11/13/15/1066111315.db2.gz CYHAJZZLRMKENI-UHFFFAOYSA-N 0 0 453.901 4.655 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)cnn1CC(C)C ZINC001360955527 1066111430 /nfs/dbraw/zinc/11/14/30/1066111430.db2.gz DZOPJIOMDJARFO-ICSRJNTNSA-N 0 0 484.620 4.770 20 0 JJADRN CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1Cc1cccs1)OC 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QJWVVIPBTFQCMX-MRXNPFEDSA-N 0 0 499.044 4.830 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001442298237 1066112961 /nfs/dbraw/zinc/11/29/61/1066112961.db2.gz NWMWXGXGSWFLFA-UHFFFAOYSA-N 0 0 457.368 4.734 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C(C)(C)C)CC2)cnn1C ZINC001360956961 1066113614 /nfs/dbraw/zinc/11/36/14/1066113614.db2.gz SYPXLEVOXFJBSB-GOSISDBHSA-N 0 0 452.578 4.830 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC001442304937 1066114826 /nfs/dbraw/zinc/11/48/26/1066114826.db2.gz WCBDXWJZJQDSLX-KKSFZXQISA-N 0 0 453.995 4.849 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 ZINC001545948094 1066115318 /nfs/dbraw/zinc/11/53/18/1066115318.db2.gz JWSLUOGFVGIEJV-CCLHPLFOSA-N 0 0 476.625 4.761 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360958673 1066115607 /nfs/dbraw/zinc/11/56/07/1066115607.db2.gz RCTAMPXVIHUZGZ-AWEZNQCLSA-N 0 0 463.351 4.800 20 0 JJADRN 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RRGQUHMCKZOHMM-VQTJNVASSA-N 0 0 474.030 4.690 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001360960568 1066119704 /nfs/dbraw/zinc/11/97/04/1066119704.db2.gz RATHZIAWCPYCTC-AWEZNQCLSA-N 0 0 479.423 4.927 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC001442364301 1066120268 /nfs/dbraw/zinc/12/02/68/1066120268.db2.gz ZRNCHNRZJOHWJL-UHFFFAOYSA-N 0 0 452.904 4.595 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360960791 1066120727 /nfs/dbraw/zinc/12/07/27/1066120727.db2.gz ZWQCHZRHNKWBMO-INIZCTEOSA-N 0 0 489.267 4.564 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC001442370704 1066120948 /nfs/dbraw/zinc/12/09/48/1066120948.db2.gz CIOCKWHDDJJIRH-BGYRXZFFSA-N 0 0 450.608 4.834 20 0 JJADRN C[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)Oc1ccccc1Cl ZINC001360962055 1066121130 /nfs/dbraw/zinc/12/11/30/1066121130.db2.gz SQJSXEZZZRGNNT-AWEZNQCLSA-N 0 0 456.930 4.986 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Br)cc1Br ZINC001360961983 1066121158 /nfs/dbraw/zinc/12/11/58/1066121158.db2.gz WFVDAGYFAITTKF-UHFFFAOYSA-N 0 0 454.118 4.729 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC001360961552 1066121161 /nfs/dbraw/zinc/12/11/61/1066121161.db2.gz NJCOPDCZKODMON-IBGZPJMESA-N 0 0 456.970 4.715 20 0 JJADRN COc1cc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)ccc1OCc1cscn1 ZINC001360961591 1066121235 /nfs/dbraw/zinc/12/12/35/1066121235.db2.gz OMAXGDGOIPHJRK-UHFFFAOYSA-N 0 0 454.548 4.867 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001442379515 1066122022 /nfs/dbraw/zinc/12/20/22/1066122022.db2.gz XOISYDMVIAELOW-UDCNLSRBSA-N 0 0 453.583 4.679 20 0 JJADRN Cc1c(Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(F)c(Cl)c2)cnn1CC(C)C ZINC001360962814 1066122288 /nfs/dbraw/zinc/12/22/88/1066122288.db2.gz RYMLQXFPVUHJMW-UHFFFAOYSA-N 0 0 467.980 4.978 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cccs1 ZINC001360962578 1066122354 /nfs/dbraw/zinc/12/23/54/1066122354.db2.gz KUHSSNAXVGELMR-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCCOc2ccc(F)cc2)c1 ZINC001442386368 1066122561 /nfs/dbraw/zinc/12/25/61/1066122561.db2.gz RULUAWLYWKYHHV-UHFFFAOYSA-N 0 0 459.521 4.945 20 0 JJADRN CCCCOCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001442388493 1066122568 /nfs/dbraw/zinc/12/25/68/1066122568.db2.gz DMYFNOXQRKZPDO-UHFFFAOYSA-N 0 0 450.579 4.771 20 0 JJADRN COc1cc(CN(C)C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)ccc1SC ZINC001442388800 1066122576 /nfs/dbraw/zinc/12/25/76/1066122576.db2.gz VUWIMWNOJZSULK-UHFFFAOYSA-N 0 0 458.458 4.506 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360962949 1066122840 /nfs/dbraw/zinc/12/28/40/1066122840.db2.gz XQVCNVZXLLJHTE-QGZVFWFLSA-N 0 0 455.534 4.527 20 0 JJADRN CCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC001442391562 1066123054 /nfs/dbraw/zinc/12/30/54/1066123054.db2.gz BQLKRQSOUSBCMD-ZDUSSCGKSA-N 0 0 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CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](CC)Oc1ccccc1F ZINC001545949685 1066134292 /nfs/dbraw/zinc/13/42/92/1066134292.db2.gz CJSNQLCSCWGKAR-FPOVZHCZSA-N 0 0 454.594 4.901 20 0 JJADRN Cc1csc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1I ZINC001442538009 1066134305 /nfs/dbraw/zinc/13/43/05/1066134305.db2.gz RUPJWBNUTLOSFP-DOTOQJQBSA-N 0 0 455.361 4.901 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360977334 1066134664 /nfs/dbraw/zinc/13/46/64/1066134664.db2.gz MNBXCGJOGVDUJA-IBGZPJMESA-N 0 0 499.587 4.782 20 0 JJADRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC001442540629 1066134793 /nfs/dbraw/zinc/13/47/93/1066134793.db2.gz UWOYCNOUEZFEFA-VWNXMTODSA-N 0 0 452.595 4.994 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(C)C)C1 ZINC001360977516 1066135120 /nfs/dbraw/zinc/13/51/20/1066135120.db2.gz SYSFEZXOTDJFEJ-AWEZNQCLSA-N 0 0 467.426 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1O ZINC001442544348 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/nfs/dbraw/zinc/13/58/34/1066135834.db2.gz PCFMHAKGIHYRKE-GOTSBHOMSA-N 0 0 458.599 4.639 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)nn1 ZINC001442551169 1066136172 /nfs/dbraw/zinc/13/61/72/1066136172.db2.gz UUNJRJFBPLBFCZ-PKTZIBPZSA-N 0 0 450.583 4.846 20 0 JJADRN COc1cc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)ccc1OCc1cscn1 ZINC001360978580 1066136696 /nfs/dbraw/zinc/13/66/96/1066136696.db2.gz XQRAFNRODCKOTG-UHFFFAOYSA-N 0 0 459.325 4.622 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 ZINC001360978630 1066136749 /nfs/dbraw/zinc/13/67/49/1066136749.db2.gz ATBBMZUFCAWIBB-SFHVURJKSA-N 0 0 457.600 4.998 20 0 JJADRN COC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c(F)c1 ZINC001360978316 1066136770 /nfs/dbraw/zinc/13/67/70/1066136770.db2.gz SHXRXGGXTKFQEO-QFIPXVFZSA-N 0 0 457.885 4.802 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442551208 1066136946 /nfs/dbraw/zinc/13/69/46/1066136946.db2.gz UZLSJPCASHNIJW-JKLQHZFJSA-N 0 0 458.599 4.588 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCc2ccccn2)cnn1CC(C)C ZINC001360978672 1066137136 /nfs/dbraw/zinc/13/71/36/1066137136.db2.gz BSJKUZKBCAUDJI-JWQCQUIFSA-N 0 0 493.700 4.870 20 0 JJADRN Cc1c2cc(F)ccc2oc1Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360979212 1066137543 /nfs/dbraw/zinc/13/75/43/1066137543.db2.gz LSAGDOAYCYWLIH-UHFFFAOYSA-N 0 0 495.521 4.713 20 0 JJADRN Cc1ccsc1Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360979364 1066137594 /nfs/dbraw/zinc/13/75/94/1066137594.db2.gz MZXSCMAGYKLKPI-OAQYLSRUSA-N 0 0 472.577 4.906 20 0 JJADRN Cc1cccc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1C(=O)NCCc1ccccc1 ZINC001442556055 1066137847 /nfs/dbraw/zinc/13/78/47/1066137847.db2.gz ZETDDRJFCNVXAV-IFMALSPDSA-N 0 0 479.621 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC001442564876 1066138410 /nfs/dbraw/zinc/13/84/10/1066138410.db2.gz YKYGBXSCUCRQTB-HXUWFJFHSA-N 0 0 451.567 4.708 20 0 JJADRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001360980543 1066138548 /nfs/dbraw/zinc/13/85/48/1066138548.db2.gz ZXACLDFFGZIJDD-UHFFFAOYSA-N 0 0 455.388 4.793 20 0 JJADRN Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC001442567777 1066138985 /nfs/dbraw/zinc/13/89/85/1066138985.db2.gz IFKLOSVPEFFLFF-INIZCTEOSA-N 0 0 450.601 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)(C(F)(F)F)C1 ZINC001442568044 1066139047 /nfs/dbraw/zinc/13/90/47/1066139047.db2.gz KJLBXDNRWAVJBS-OAQYLSRUSA-N 0 0 452.477 4.958 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001360980948 1066139082 /nfs/dbraw/zinc/13/90/82/1066139082.db2.gz FZIPOTVVMIKIRJ-UHFFFAOYSA-N 0 0 453.498 4.930 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360981066 1066139453 /nfs/dbraw/zinc/13/94/53/1066139453.db2.gz KVTRIUURJLKASN-SFHLNBCPSA-N 0 0 487.645 4.640 20 0 JJADRN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001442585282 1066140776 /nfs/dbraw/zinc/14/07/76/1066140776.db2.gz UKCMACPOBANADB-UHFFFAOYSA-N 0 0 455.305 4.662 20 0 JJADRN CC[C@H](C)Sc1ccc(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c(C)c1 ZINC001442586076 1066140787 /nfs/dbraw/zinc/14/07/87/1066140787.db2.gz IMFOKTJNDGAUHV-QMHKHESXSA-N 0 0 452.592 4.800 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001360982136 1066141251 /nfs/dbraw/zinc/14/12/51/1066141251.db2.gz BKICGZRPLFQZHK-UHFFFAOYSA-N 0 0 472.058 4.947 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360982323 1066141592 /nfs/dbraw/zinc/14/15/92/1066141592.db2.gz IRKCNJDMXVKPFH-SFHVURJKSA-N 0 0 497.043 4.720 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360982216 1066141597 /nfs/dbraw/zinc/14/15/97/1066141597.db2.gz DSJFMFHWZYBRGS-KNQAVFIVSA-N 0 0 488.076 4.559 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 ZINC001360982382 1066142118 /nfs/dbraw/zinc/14/21/18/1066142118.db2.gz KCTLNFBPJKYGRV-HDICACEKSA-N 0 0 478.062 4.612 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360982460 1066142185 /nfs/dbraw/zinc/14/21/85/1066142185.db2.gz MBBDQMHPJFIJRS-IBGZPJMESA-N 0 0 471.955 4.604 20 0 JJADRN CCc1c(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)nnn1-c1ccc(OC(C)C)cc1 ZINC001442594995 1066142214 /nfs/dbraw/zinc/14/22/14/1066142214.db2.gz MDXIBTICDVTCHA-UHFFFAOYSA-N 0 0 451.958 4.724 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545950216 1066142281 /nfs/dbraw/zinc/14/22/81/1066142281.db2.gz MUUKYGYMKQRDJO-QUCCMNQESA-N 0 0 475.609 4.749 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2C[C@@H](C)S[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360982640 1066142826 /nfs/dbraw/zinc/14/28/26/1066142826.db2.gz QLLSMAJBODQPQB-MFEFFIJZSA-N 0 0 465.063 4.659 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360982828 1066143172 /nfs/dbraw/zinc/14/31/72/1066143172.db2.gz WDLPOQDBZNOKOE-UHFFFAOYSA-N 0 0 497.043 4.768 20 0 JJADRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000029237701 1066143204 /nfs/dbraw/zinc/14/32/04/1066143204.db2.gz DBNDWDYMNCWDEM-UHFFFAOYSA-N 0 0 479.945 4.697 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360983525 1066143857 /nfs/dbraw/zinc/14/38/57/1066143857.db2.gz CCIKDOPQAJMQLD-FQEVSTJZSA-N 0 0 462.038 4.719 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3n2-c2ccccc2F)cc1 ZINC001360983806 1066144185 /nfs/dbraw/zinc/14/41/85/1066144185.db2.gz VQIOSNURAUTWGF-UHFFFAOYSA-N 0 0 451.523 4.530 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1C ZINC001442609857 1066144253 /nfs/dbraw/zinc/14/42/53/1066144253.db2.gz ONSSGZZZZWZVDC-MOPGFXCFSA-N 0 0 454.615 4.634 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360983702 1066144249 /nfs/dbraw/zinc/14/42/49/1066144249.db2.gz FQKPWSNVANJGMN-ZIFCJYIRSA-N 0 0 460.022 4.645 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C2CC2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001360984047 1066144823 /nfs/dbraw/zinc/14/48/23/1066144823.db2.gz LQSGBLQTNZKGSA-UHFFFAOYSA-N 0 0 468.005 4.696 20 0 JJADRN Cc1c(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cnn1-c1ccc(Br)cc1 ZINC001442611957 1066144975 /nfs/dbraw/zinc/14/49/75/1066144975.db2.gz NUBFUKXDJAFCQQ-UHFFFAOYSA-N 0 0 452.356 4.524 20 0 JJADRN C[C@H](Cc1cncc2ccccc21)C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001442614040 1066145349 /nfs/dbraw/zinc/14/53/49/1066145349.db2.gz LGOSUWJAOYXUOK-GOSISDBHSA-N 0 0 450.970 4.833 20 0 JJADRN O=C(CCOc1ccc(Cl)c(F)c1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001442621216 1066146377 /nfs/dbraw/zinc/14/63/77/1066146377.db2.gz ZGVATIFZUDSPMF-UHFFFAOYSA-N 0 0 454.329 4.668 20 0 JJADRN CN(C(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001360984618 1066146731 /nfs/dbraw/zinc/14/67/31/1066146731.db2.gz BZTQFUKDAJPBPA-SFHVURJKSA-N 0 0 452.860 4.534 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001360984513 1066146736 /nfs/dbraw/zinc/14/67/36/1066146736.db2.gz ZIAAPAQXKNFMOQ-WIYYLYMNSA-N 0 0 460.022 4.993 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)Oc1ccccc1F ZINC001545950617 1066146852 /nfs/dbraw/zinc/14/68/52/1066146852.db2.gz SOWBJUHFYAQDBM-HXUWFJFHSA-N 0 0 483.588 4.698 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCc1ccsc1 ZINC001360985423 1066147097 /nfs/dbraw/zinc/14/70/97/1066147097.db2.gz AEXJVGWELSMOEO-FQEVSTJZSA-N 0 0 453.612 4.516 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)Oc1ccccc1F ZINC001545950668 1066147468 /nfs/dbraw/zinc/14/74/68/1066147468.db2.gz UCPBZUVPRQSAHN-NSHGMRRFSA-N 0 0 475.609 4.748 20 0 JJADRN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000029279168 1066147863 /nfs/dbraw/zinc/14/78/63/1066147863.db2.gz QGWQCYMWRJTNTI-UHFFFAOYSA-N 0 0 465.918 4.655 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3ncc(C)c(OC)c3C)c3ccccc3n2)cc1OC ZINC001442658685 1066148030 /nfs/dbraw/zinc/14/80/30/1066148030.db2.gz OPHBNLWIVQGHMI-UHFFFAOYSA-N 0 0 457.530 4.869 20 0 JJADRN Cc1cnc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001442664217 1066148811 /nfs/dbraw/zinc/14/88/11/1066148811.db2.gz FAKNJUQIDIHYJM-GOSISDBHSA-N 0 0 453.539 4.507 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442662715 1066148886 /nfs/dbraw/zinc/14/88/86/1066148886.db2.gz BNAXNOKNPXSXAX-SFHVURJKSA-N 0 0 451.748 4.500 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccnc(OCC2CC2)c1 ZINC001360985714 1066149109 /nfs/dbraw/zinc/14/91/09/1066149109.db2.gz JPPIQYZQLFYKDH-UHFFFAOYSA-N 0 0 490.652 4.791 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@H](c1cccnc1)C(C)C ZINC001360985821 1066149145 /nfs/dbraw/zinc/14/91/45/1066149145.db2.gz MOBYLZYACUEZQU-QHCPKHFHSA-N 0 0 483.620 4.867 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001360986049 1066149733 /nfs/dbraw/zinc/14/97/33/1066149733.db2.gz SHXCPLYGVMCGJY-HYBUGGRVSA-N 0 0 455.647 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001442668748 1066150034 /nfs/dbraw/zinc/15/00/34/1066150034.db2.gz QECNIXLBYWGGPF-YUXAGFNASA-N 0 0 480.561 4.691 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442676990 1066150731 /nfs/dbraw/zinc/15/07/31/1066150731.db2.gz VXYIZCKMIMBUGU-GDBMZVCRSA-N 0 0 451.398 4.645 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986280 1066150801 /nfs/dbraw/zinc/15/08/01/1066150801.db2.gz ZNANSJMQBIIICS-NQIIRXRSSA-N 0 0 480.613 4.620 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 ZINC001360986306 1066150863 /nfs/dbraw/zinc/15/08/63/1066150863.db2.gz AHEALPPDTNEWFH-TZIWHRDSSA-N 0 0 487.048 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC001442682208 1066151389 /nfs/dbraw/zinc/15/13/89/1066151389.db2.gz SSEQBXGLZCPBOM-LJQANCHMSA-N 0 0 456.514 4.563 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@H]1CCC(=O)N1 ZINC001360986326 1066151418 /nfs/dbraw/zinc/15/14/18/1066151418.db2.gz AUPGOBZNBOLTOQ-ZHALLVOQSA-N 0 0 471.989 4.757 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360986369 1066151462 /nfs/dbraw/zinc/15/14/62/1066151462.db2.gz BVERBAPJUYMQBV-GOSISDBHSA-N 0 0 495.089 4.749 20 0 JJADRN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001442684785 1066151821 /nfs/dbraw/zinc/15/18/21/1066151821.db2.gz VCZYBKURRHYMFA-UHFFFAOYSA-N 0 0 456.325 4.533 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnccn2)n1CC[C@H]1CCOC1 ZINC001360986389 1066152152 /nfs/dbraw/zinc/15/21/52/1066152152.db2.gz CDJFVYBPZAQJAR-MOPGFXCFSA-N 0 0 471.005 4.541 20 0 JJADRN CC[C@H](C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545950978 1066154281 /nfs/dbraw/zinc/15/42/81/1066154281.db2.gz ZQWNRVFHKDUWBD-GMAHTHKFSA-N 0 0 499.700 4.917 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360986690 1066154249 /nfs/dbraw/zinc/15/42/49/1066154249.db2.gz JVUWUOMDOOWURM-BHIYHBOVSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)NCC1CC1 ZINC001360986723 1066154305 /nfs/dbraw/zinc/15/43/05/1066154305.db2.gz KMPWLWQLWNTPPK-SFHVURJKSA-N 0 0 486.016 4.752 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545950977 1066154351 /nfs/dbraw/zinc/15/43/51/1066154351.db2.gz ZQWNRVFHKDUWBD-GGAORHGYSA-N 0 0 499.700 4.917 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(F)(F)F)n1CCC(=O)NC(C)(C)C ZINC001360986802 1066155277 /nfs/dbraw/zinc/15/52/77/1066155277.db2.gz MPRIPTKGMMFZRJ-OAHLLOKOSA-N 0 0 489.970 4.992 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001442721137 1066155752 /nfs/dbraw/zinc/15/57/52/1066155752.db2.gz DAWCJLUJLOANCW-HNNXBMFYSA-N 0 0 455.274 4.503 20 0 JJADRN C[C@@]1(c2cccc(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)c2)NC(=O)NC1=O ZINC001442724613 1066155758 /nfs/dbraw/zinc/15/57/58/1066155758.db2.gz VKFZXDQSGYVNHN-QHCPKHFHSA-N 0 0 451.935 4.798 20 0 JJADRN CCc1nc2ccc(C(=O)Nc3n[nH]c(-c4ccc(Br)cc4)n3)cc2nc1CC ZINC001442726844 1066155761 /nfs/dbraw/zinc/15/57/61/1066155761.db2.gz RIHJRVJTNMKIOR-UHFFFAOYSA-N 0 0 451.328 4.555 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1(O)CC1 ZINC001360986929 1066156032 /nfs/dbraw/zinc/15/60/32/1066156032.db2.gz PQPZZMNGYXTXMK-OAHLLOKOSA-N 0 0 454.949 4.695 20 0 JJADRN C[C@@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc(Br)c1 ZINC001442730378 1066156050 /nfs/dbraw/zinc/15/60/50/1066156050.db2.gz YOWKYLVLDVANPG-SNVBAGLBSA-N 0 0 450.134 4.739 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(C)C)n1CC1(C(N)=O)CCCC1 ZINC001360987040 1066156315 /nfs/dbraw/zinc/15/63/15/1066156315.db2.gz RCSJJLDKMDQQPF-SFHVURJKSA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001360987053 1066156327 /nfs/dbraw/zinc/15/63/27/1066156327.db2.gz RHZWLKHBSXPGJC-IFMALSPDSA-N 0 0 453.631 4.518 20 0 JJADRN COc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1OC1CCCC1 ZINC001442746452 1066156415 /nfs/dbraw/zinc/15/64/15/1066156415.db2.gz FVRHAHWRBNGSKP-UHFFFAOYSA-N 0 0 455.530 4.582 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1)OC ZINC001545951626 1066156877 /nfs/dbraw/zinc/15/68/77/1066156877.db2.gz AJYARJFQZFLNOP-WIYYLYMNSA-N 0 0 465.038 4.976 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC001442755450 1066157058 /nfs/dbraw/zinc/15/70/58/1066157058.db2.gz FMUCPSWONTZEMB-UHFFFAOYSA-N 0 0 455.711 4.589 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCCOC2)n1CCOC(C)C ZINC001360987179 1066157410 /nfs/dbraw/zinc/15/74/10/1066157410.db2.gz UMHLIJDXLALPDR-VQTJNVASSA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360987280 1066157987 /nfs/dbraw/zinc/15/79/87/1066157987.db2.gz WZNRYDMUSLYRKQ-YJBOKZPZSA-N 0 0 481.931 4.737 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC001442762508 1066158280 /nfs/dbraw/zinc/15/82/80/1066158280.db2.gz HXYIOIOABPQMEY-DNQXCXABSA-N 0 0 459.030 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H]1C[C@@H]1C ZINC001360987404 1066158325 /nfs/dbraw/zinc/15/83/25/1066158325.db2.gz XIQAOESILVUJKK-IAOVAPTHSA-N 0 0 493.990 4.837 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC(=O)N(C)C ZINC001360987449 1066158340 /nfs/dbraw/zinc/15/83/40/1066158340.db2.gz YGMFIBNHMZVJFW-QKYXUNIQSA-N 0 0 462.038 4.791 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC(=O)N(C)C ZINC001360987450 1066158357 /nfs/dbraw/zinc/15/83/57/1066158357.db2.gz YGMFIBNHMZVJFW-XFQXTVEOSA-N 0 0 462.038 4.791 20 0 JJADRN CC(C)(C)C(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2I)cc1 ZINC001360987988 1066158791 /nfs/dbraw/zinc/15/87/91/1066158791.db2.gz QCVSHXXHJZAFDX-UHFFFAOYSA-N 0 0 453.324 4.724 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H]1CCC=CO1 ZINC001360987516 1066158824 /nfs/dbraw/zinc/15/88/24/1066158824.db2.gz ZQAQUXYLOPLFQB-SBHAEUEKSA-N 0 0 461.006 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3ccc(Cl)c4ncccc34)cn2)C1 ZINC001442768981 1066159028 /nfs/dbraw/zinc/15/90/28/1066159028.db2.gz OZAMQMZWJFBYTF-MRXNPFEDSA-N 0 0 455.946 4.909 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)c3ccccc3n2)c(C)c1 ZINC001360988587 1066159057 /nfs/dbraw/zinc/15/90/57/1066159057.db2.gz KEWQSLFVDMNPOB-QFIPXVFZSA-N 0 0 455.480 4.754 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCCC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360989038 1066159464 /nfs/dbraw/zinc/15/94/64/1066159464.db2.gz XHGGTJQLTLDRGX-HXUWFJFHSA-N 0 0 459.359 4.664 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCc3sccc3C2)n1CC(=O)NC(C)C ZINC001360989200 1066159776 /nfs/dbraw/zinc/15/97/76/1066159776.db2.gz AQGNHPBYXZLDJQ-QGZVFWFLSA-N 0 0 488.057 4.837 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCC(=O)NC(C)C ZINC001360989366 1066160668 /nfs/dbraw/zinc/16/06/68/1066160668.db2.gz DCRXYCMQNIUFLY-AYOQOUSVSA-N 0 0 462.038 4.838 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1CCCC1 ZINC001360989422 1066161150 /nfs/dbraw/zinc/16/11/50/1066161150.db2.gz FCFFTCMKMNUUHC-SFHVURJKSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001360989448 1066161230 /nfs/dbraw/zinc/16/12/30/1066161230.db2.gz FIZAENSSXXJRGQ-XJRBWHPUSA-N 0 0 463.022 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCSC1 ZINC001360989533 1066161881 /nfs/dbraw/zinc/16/18/81/1066161881.db2.gz GSQGPYNPXDOIFS-RBUKOAKNSA-N 0 0 475.062 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360989528 1066161938 /nfs/dbraw/zinc/16/19/38/1066161938.db2.gz GPJAONRUCWXCPL-ZKMOHVOUSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@]1(C)CCCS1 ZINC001360989552 1066162081 /nfs/dbraw/zinc/16/20/81/1066162081.db2.gz HBRSEIKQKNEJRS-RHGYRFJNSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@]1(C)CCCS1 ZINC001360989550 1066162083 /nfs/dbraw/zinc/16/20/83/1066162083.db2.gz HBRSEIKQKNEJRS-HOOSLVGPSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(C)C)n1CCC(=O)N(C)C ZINC001360989689 1066163131 /nfs/dbraw/zinc/16/31/31/1066163131.db2.gz JDSWCSZMYAVBTK-GOSISDBHSA-N 0 0 450.027 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1CCNC(=O)c1cccs1 ZINC001360989811 1066163854 /nfs/dbraw/zinc/16/38/54/1066163854.db2.gz LAARWOLZYXCSNJ-GOSISDBHSA-N 0 0 486.041 4.946 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCC(C)(C)O ZINC001360989791 1066163892 /nfs/dbraw/zinc/16/38/92/1066163892.db2.gz KUTBGZMMEDFSET-KBMIEXCESA-N 0 0 477.049 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H]2C(C)C)n1CCNC(=O)C1CC1 ZINC001360989857 1066164219 /nfs/dbraw/zinc/16/42/19/1066164219.db2.gz MAIWJIJMHWEKJE-GHTZIAJQSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001360989922 1066164529 /nfs/dbraw/zinc/16/45/29/1066164529.db2.gz NBILIHLJFGMISB-YJBOKZPZSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCc1ccsc1 ZINC001360989940 1066164540 /nfs/dbraw/zinc/16/45/40/1066164540.db2.gz NKYXTVGZBYSCGH-XDHUDOTRSA-N 0 0 488.057 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCc1ccsc1 ZINC001360989937 1066164597 /nfs/dbraw/zinc/16/45/97/1066164597.db2.gz NKYXTVGZBYSCGH-BXKMTCNYSA-N 0 0 488.057 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCOC(C)C ZINC001360990040 1066165219 /nfs/dbraw/zinc/16/52/19/1066165219.db2.gz PENBCPBPMLRBOG-FPOVZHCZSA-N 0 0 488.036 4.546 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1 ZINC001360990062 1066165716 /nfs/dbraw/zinc/16/57/16/1066165716.db2.gz PMCCNYZRLNOGJX-SFHVURJKSA-N 0 0 497.043 4.857 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1(O)CCSC1 ZINC001360990145 1066165772 /nfs/dbraw/zinc/16/57/72/1066165772.db2.gz QGXSWTVDEQKSRW-RHGYRFJNSA-N 0 0 495.089 4.560 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CO)CC2)n1C[C@H]1OCCC1(C)C ZINC001360990140 1066165785 /nfs/dbraw/zinc/16/57/85/1066165785.db2.gz QDWKPYSIMZOLHZ-WIYYLYMNSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1OCCC1(C)C ZINC001360990138 1066165839 /nfs/dbraw/zinc/16/58/39/1066165839.db2.gz QDWKPYSIMZOLHZ-NQIIRXRSSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCC2)n1C[C@]1(C)CN(C)C1=O ZINC001360990182 1066166250 /nfs/dbraw/zinc/16/62/50/1066166250.db2.gz QRJMIUWKDUJTNP-UUOWRZLLSA-N 0 0 460.022 4.547 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1CCc1nccs1 ZINC001360990435 1066167777 /nfs/dbraw/zinc/16/77/77/1066167777.db2.gz VMUGTXJAJGMXSD-GOSISDBHSA-N 0 0 486.045 4.720 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCC1CC1 ZINC001360990625 1066168530 /nfs/dbraw/zinc/16/85/30/1066168530.db2.gz YJUSCIKQFOSIPT-GHTZIAJQSA-N 0 0 495.089 4.892 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001360990733 1066168764 /nfs/dbraw/zinc/16/87/64/1066168764.db2.gz CIIFKVLICHTKOI-NRHNMFRMSA-N 0 0 454.998 4.833 20 0 JJADRN C[C@@H](c1ccc(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1)C(F)(F)F ZINC001360991069 1066169479 /nfs/dbraw/zinc/16/94/79/1066169479.db2.gz KYHHSDQZYJJNTK-HOTGVXAUSA-N 0 0 452.904 4.921 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCOCC(F)F ZINC001360991241 1066169487 /nfs/dbraw/zinc/16/94/87/1066169487.db2.gz ATNSLADKCPZORW-LJHODMEESA-N 0 0 486.991 4.567 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS[C@H](C)C2)n1CCC(=O)NC(C)(C)C ZINC001360991440 1066169731 /nfs/dbraw/zinc/16/97/31/1066169731.db2.gz CMQQMWNPWCCLEI-QZTJIDSGSA-N 0 0 494.105 4.935 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C[C@H]2OCc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001360991515 1066169948 /nfs/dbraw/zinc/16/99/48/1066169948.db2.gz SQLNSSSQWSBREI-ISKFKSNPSA-N 0 0 455.963 4.611 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C[C@H]2OCc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001360991518 1066169955 /nfs/dbraw/zinc/16/99/55/1066169955.db2.gz SQLNSSSQWSBREI-VWNXMTODSA-N 0 0 455.963 4.611 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCOCC(F)F ZINC001360991627 1066170242 /nfs/dbraw/zinc/17/02/42/1066170242.db2.gz DLXNSIOEDRQRCM-VYDXJSESSA-N 0 0 460.928 4.764 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@@H]2C)n1CCOC(C)(C)C ZINC001360991636 1066170273 /nfs/dbraw/zinc/17/02/73/1066170273.db2.gz DOKBRWFPNWTDBY-ROUUACIJSA-N 0 0 451.011 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1CCOC(C)(C)C ZINC001360991637 1066170275 /nfs/dbraw/zinc/17/02/75/1066170275.db2.gz DOKBRWFPNWTDBY-ZWKOTPCHSA-N 0 0 451.011 4.729 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(F)c(F)c(F)c2)c2ccc(Cl)cc2)c1 ZINC001360991811 1066170525 /nfs/dbraw/zinc/17/05/25/1066170525.db2.gz ZGBBREPQHUZRLF-HXUWFJFHSA-N 0 0 453.869 4.680 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001360991700 1066170536 /nfs/dbraw/zinc/17/05/36/1066170536.db2.gz WUNDQNSMOGKDEP-QGZVFWFLSA-N 0 0 455.385 4.991 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCCC2)n1CCOCCCO ZINC001360991840 1066170554 /nfs/dbraw/zinc/17/05/54/1066170554.db2.gz FVJQJWVJZSVNTD-FQEVSTJZSA-N 0 0 465.038 4.858 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1C[C@@](C)(O)c1ccco1 ZINC001360991984 1066170772 /nfs/dbraw/zinc/17/07/72/1066170772.db2.gz HYQDENXOKJSFCP-WAIKUNEKSA-N 0 0 470.961 4.666 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1CC1=CCCOC1 ZINC001360992244 1066171336 /nfs/dbraw/zinc/17/13/36/1066171336.db2.gz LWKJOAJLVUEIOG-MSOLQXFVSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1CCCC(=O)NC1CC1 ZINC001360992255 1066171359 /nfs/dbraw/zinc/17/13/59/1066171359.db2.gz LYFFRWKNKZSLII-MSOLQXFVSA-N 0 0 492.089 4.689 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS(=O)CC2)n1CC1=CCCCC1 ZINC001360992552 1066172050 /nfs/dbraw/zinc/17/20/50/1066172050.db2.gz PMWPPMHMGZZTBQ-GOSISDBHSA-N 0 0 463.047 4.757 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360992694 1066172315 /nfs/dbraw/zinc/17/23/15/1066172315.db2.gz RFYKNPPVCHOKRS-OALUTQOASA-N 0 0 487.048 4.897 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360992709 1066172349 /nfs/dbraw/zinc/17/23/49/1066172349.db2.gz RSEFFADDSQCSCW-JMUGJJKMSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C1CC1 ZINC001360992872 1066172637 /nfs/dbraw/zinc/17/26/37/1066172637.db2.gz VKEDBDKQNPFAGO-SFHVURJKSA-N 0 0 476.021 4.938 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCOCC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360993049 1066172901 /nfs/dbraw/zinc/17/29/01/1066172901.db2.gz XQCRRHLOVKMHLC-ZCNNSNEGSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1NC(=O)Nc1ccccc1 ZINC001360993931 1066173348 /nfs/dbraw/zinc/17/33/48/1066173348.db2.gz UIMCYDWCUPFSTA-DEOSSOPVSA-N 0 0 456.546 4.907 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3ccccc3OC(F)(F)F)CC2)c(C)o1 ZINC001360994702 1066173792 /nfs/dbraw/zinc/17/37/92/1066173792.db2.gz XSJLPJBNYHPBNC-UHFFFAOYSA-N 0 0 491.514 4.521 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC3(F)F)CC2)c(C)o1 ZINC001360994552 1066173835 /nfs/dbraw/zinc/17/38/35/1066173835.db2.gz QGPWNOBTKRLUQS-IBGZPJMESA-N 0 0 477.600 4.864 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3c(C)noc3C)CC2)c(C)o1 ZINC001360994745 1066174076 /nfs/dbraw/zinc/17/40/76/1066174076.db2.gz ZAJLJNHXZFFZMK-HNNXBMFYSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(F)F)CC2)c(C)o1 ZINC001360995579 1066174537 /nfs/dbraw/zinc/17/45/37/1066174537.db2.gz YRHDTBKTCXQIQB-UHFFFAOYSA-N 0 0 492.958 4.647 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4)n3CCSCC(C)C)CC2)c(C)o1 ZINC001360995448 1066174548 /nfs/dbraw/zinc/17/45/48/1066174548.db2.gz WPQVPGQCFZKUHF-UHFFFAOYSA-N 0 0 481.666 4.943 20 0 JJADRN Cc1cc([C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995803 1066174874 /nfs/dbraw/zinc/17/48/74/1066174874.db2.gz POQJOQVALFIJFO-LOSJGSFVSA-N 0 0 452.957 4.894 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C(C)C)C2)c(C)o1 ZINC001360997089 1066175373 /nfs/dbraw/zinc/17/53/73/1066175373.db2.gz ACQCNZNRYZFAKQ-ZBLYBZFDSA-N 0 0 479.625 4.747 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCC2(C)C)c(C)o1 ZINC001360997140 1066175450 /nfs/dbraw/zinc/17/54/50/1066175450.db2.gz AZSGFCBVTFWIGA-NRFANRHFSA-N 0 0 462.392 4.532 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)[C@H]2CCOC2)c(C)o1 ZINC001360997381 1066175976 /nfs/dbraw/zinc/17/59/76/1066175976.db2.gz GRPZJRZILNZASB-WXVAWEFUSA-N 0 0 482.625 4.713 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCSCC2)c(C)o1 ZINC001360997495 1066176157 /nfs/dbraw/zinc/17/61/57/1066176157.db2.gz IOTLGQINJCHZTK-CPJSRVTESA-N 0 0 470.639 4.706 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 ZINC001360997666 1066176384 /nfs/dbraw/zinc/17/63/84/1066176384.db2.gz MEQPMRQKEGAEIJ-CYFREDJKSA-N 0 0 458.006 4.983 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCS[C@H](C)C2)c(C)o1 ZINC001360997850 1066176641 /nfs/dbraw/zinc/17/66/41/1066176641.db2.gz PEYNLWZQWGIZBQ-IVZQSRNASA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2c(C)nn(C)c2C)c(C)o1 ZINC001360997775 1066176643 /nfs/dbraw/zinc/17/66/43/1066176643.db2.gz OCBRIOVJMIGKMO-VWLOTQADSA-N 0 0 483.016 4.703 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CC2)c(C)o1 ZINC001360997889 1066176838 /nfs/dbraw/zinc/17/68/38/1066176838.db2.gz PTSAWUSOXVQCQO-NRFANRHFSA-N 0 0 463.351 4.563 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOCC2)c(C)o1 ZINC001360997861 1066176845 /nfs/dbraw/zinc/17/68/45/1066176845.db2.gz PIAJTIGNQMFXQJ-DFBJGRDBSA-N 0 0 489.016 4.642 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)c(C)o1 ZINC001360998215 1066177290 /nfs/dbraw/zinc/17/72/90/1066177290.db2.gz XEBMXSSOWRGGRB-OWWADGOUSA-N 0 0 492.592 4.994 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)c(C)o1 ZINC001360998097 1066177307 /nfs/dbraw/zinc/17/73/07/1066177307.db2.gz UKXGJQUWDSNECB-WHEQGISXSA-N 0 0 459.388 4.590 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2F)c(C)o1 ZINC001360998151 1066177341 /nfs/dbraw/zinc/17/73/41/1066177341.db2.gz VUKXUTLHXJJXTB-XMMPIXPASA-N 0 0 469.948 4.887 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)c(C)o1 ZINC001360998331 1066177750 /nfs/dbraw/zinc/17/77/50/1066177750.db2.gz ZFYBMLHAYIWDLV-XHNVNVPESA-N 0 0 489.016 4.662 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3F)nnc2N2CCC(OC(C)C)CC2)c(C)o1 ZINC001361000180 1066178433 /nfs/dbraw/zinc/17/84/33/1066178433.db2.gz SCVWSUICIHOOQS-RUZDIDTESA-N 0 0 456.562 4.596 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCSC2)c(C)o1 ZINC001361000426 1066178602 /nfs/dbraw/zinc/17/86/02/1066178602.db2.gz UJGNNAOJESVVRS-ZHRRBRCNSA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361002133 1066179084 /nfs/dbraw/zinc/17/90/84/1066179084.db2.gz AIMGBOJJBHAQTB-QHCPKHFHSA-N 0 0 472.014 4.733 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C(C)C)C2)c(C)o1 ZINC001361002850 1066179722 /nfs/dbraw/zinc/17/97/22/1066179722.db2.gz JPNMSLIPNGCAAW-IQGLISFBSA-N 0 0 458.553 4.747 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361002756 1066179740 /nfs/dbraw/zinc/17/97/40/1066179740.db2.gz HOCMUZORQGYILG-QLXKLKPCSA-N 0 0 454.590 4.998 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC3CC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361003056 1066180233 /nfs/dbraw/zinc/18/02/33/1066180233.db2.gz NGNFKSUCYDKKNR-XMMPIXPASA-N 0 0 460.525 4.586 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](C(F)F)C2)c(C)o1 ZINC001361003026 1066180248 /nfs/dbraw/zinc/18/02/48/1066180248.db2.gz MTTKEYYWDOTUKF-VGSWGCGISA-N 0 0 450.555 4.529 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](CC(C)C)C2)c(C)o1 ZINC001361003109 1066180453 /nfs/dbraw/zinc/18/04/53/1066180453.db2.gz OLEZFMAXJFMBJW-IBVKSMDESA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cc(Cl)ccn2)c(C)o1 ZINC001361003199 1066180502 /nfs/dbraw/zinc/18/05/02/1066180502.db2.gz QDNRRGPAVPEOKT-RUZDIDTESA-N 0 0 483.975 4.810 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCC(O)(c4ccccc4Cl)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361003233 1066180676 /nfs/dbraw/zinc/18/06/76/1066180676.db2.gz QTKVEDFMAYCIGH-RUZDIDTESA-N 0 0 487.044 4.835 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)c(C)o1 ZINC001361003424 1066181135 /nfs/dbraw/zinc/18/11/35/1066181135.db2.gz ULJXVOIXDPRBNQ-HXOBKFHXSA-N 0 0 496.505 4.892 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCC(OCCc4ccccc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361003609 1066181416 /nfs/dbraw/zinc/18/14/16/1066181416.db2.gz XUAJHRGZKUJLBD-MUUNZHRXSA-N 0 0 480.653 4.921 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)c(C)o1 ZINC001361003605 1066181422 /nfs/dbraw/zinc/18/14/22/1066181422.db2.gz XSLKZDBKXCQOFJ-CUNXSJBXSA-N 0 0 484.616 4.909 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCC[C@H](Nc4ccccc4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361003615 1066181481 /nfs/dbraw/zinc/18/14/81/1066181481.db2.gz XWHXNAWJVHTYLJ-HFZDXXHNSA-N 0 0 451.615 4.774 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCC[C@@H](Nc4ccccc4)C3)nnc2C(C)(C)C)c(C)o1 ZINC001361003618 1066181499 /nfs/dbraw/zinc/18/14/99/1066181499.db2.gz XWHXNAWJVHTYLJ-RLWLMLJZSA-N 0 0 451.615 4.774 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2cscn2)c(C)o1 ZINC001361003717 1066181993 /nfs/dbraw/zinc/18/19/93/1066181993.db2.gz ZPWBGHPYGXACFX-RUZDIDTESA-N 0 0 481.622 4.684 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361003906 1066182469 /nfs/dbraw/zinc/18/24/69/1066182469.db2.gz DSWOIGFHPRSXMM-UNMCSNQZSA-N 0 0 462.642 4.527 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361004170 1066182478 /nfs/dbraw/zinc/18/24/78/1066182478.db2.gz IUDBPXJODQAGJJ-YADHBBJMSA-N 0 0 474.653 4.831 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361004167 1066182554 /nfs/dbraw/zinc/18/25/54/1066182554.db2.gz IUDBPXJODQAGJJ-FCHUYYIVSA-N 0 0 474.653 4.831 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361004843 1066183033 /nfs/dbraw/zinc/18/30/33/1066183033.db2.gz UMJWXPCYNPNCPH-QUCCMNQESA-N 0 0 459.516 5.000 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001361004970 1066183510 /nfs/dbraw/zinc/18/35/10/1066183510.db2.gz WNQDPQWOOPNXCL-SFHVURJKSA-N 0 0 463.548 4.795 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361005019 1066183536 /nfs/dbraw/zinc/18/35/36/1066183536.db2.gz XMGBTSMPGOUCMG-HOYKHHGWSA-N 0 0 473.543 4.982 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361004958 1066183566 /nfs/dbraw/zinc/18/35/66/1066183566.db2.gz WFOXLKXOYADGOQ-NHCUHLMSSA-N 0 0 478.641 4.841 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(CC3CCC3)CC(F)(F)F)c2)cc1 ZINC001361005766 1066184168 /nfs/dbraw/zinc/18/41/68/1066184168.db2.gz BFMVVQJMZPFODW-UHFFFAOYSA-N 0 0 454.514 4.625 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361007467 1066186997 /nfs/dbraw/zinc/18/69/97/1066186997.db2.gz LOEDDYJEJTWSBQ-WOJBJXKFSA-N 0 0 453.631 4.788 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C ZINC001361007684 1066187045 /nfs/dbraw/zinc/18/70/45/1066187045.db2.gz AWHROACPLUYARK-LJQANCHMSA-N 0 0 477.575 4.694 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001361008126 1066188176 /nfs/dbraw/zinc/18/81/76/1066188176.db2.gz IIXNVYDTMVNBPM-IRXDYDNUSA-N 0 0 461.557 4.970 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001361007995 1066188190 /nfs/dbraw/zinc/18/81/90/1066188190.db2.gz GCXYFBMRFUNRQO-SFHVURJKSA-N 0 0 466.548 4.941 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361008194 1066188756 /nfs/dbraw/zinc/18/87/56/1066188756.db2.gz VKIUQDSZUYBROS-CEMLEFRQSA-N 0 0 469.630 4.735 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1nccs1 ZINC001361008215 1066188797 /nfs/dbraw/zinc/18/87/97/1066188797.db2.gz JIWOJTJFUXKAFP-QGZVFWFLSA-N 0 0 451.518 4.988 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001361008225 1066188812 /nfs/dbraw/zinc/18/88/12/1066188812.db2.gz JPODQUOCPVFLTI-UHFFFAOYSA-N 0 0 477.575 4.691 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C ZINC001361008637 1066190539 /nfs/dbraw/zinc/19/05/39/1066190539.db2.gz QBBZQSSABNDKMR-IBGZPJMESA-N 0 0 465.564 4.692 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001361008809 1066190898 /nfs/dbraw/zinc/19/08/98/1066190898.db2.gz UJLPGYDPHATXLE-XKQJLSEDSA-N 0 0 478.437 4.661 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001361008847 1066190950 /nfs/dbraw/zinc/19/09/50/1066190950.db2.gz VXXQDYJRTBQMSP-INIZCTEOSA-N 0 0 498.475 4.788 20 0 JJADRN Cc1cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)ccc1NC(=O)CC(C)C ZINC001361009216 1066191682 /nfs/dbraw/zinc/19/16/82/1066191682.db2.gz HEHXSXYKAOXLOO-UHFFFAOYSA-N 0 0 457.880 4.856 20 0 JJADRN COc1ccc(-c2ncc(C(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)s2)cc1 ZINC001361009979 1066191979 /nfs/dbraw/zinc/19/19/79/1066191979.db2.gz SGGVIHRSQBJDEW-UHFFFAOYSA-N 0 0 457.861 4.695 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC001361010682 1066193284 /nfs/dbraw/zinc/19/32/84/1066193284.db2.gz ZBQJJCCDOCYJIH-IEGUWTFLSA-N 0 0 456.558 4.770 20 0 JJADRN Cc1cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)nn1-c1cccc(Cl)c1 ZINC001361010606 1066193415 /nfs/dbraw/zinc/19/34/15/1066193415.db2.gz YFDBIXDKQHPXCD-UHFFFAOYSA-N 0 0 459.255 4.710 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3c(C)cc(C)cc3C)CC2)n1 ZINC001361011248 1066194043 /nfs/dbraw/zinc/19/40/43/1066194043.db2.gz MXATYRXNJUIKMH-UHFFFAOYSA-N 0 0 452.672 4.932 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c(C)c1 ZINC001361011646 1066194695 /nfs/dbraw/zinc/19/46/95/1066194695.db2.gz YEMKTZYANNYRQJ-HXUWFJFHSA-N 0 0 483.554 4.516 20 0 JJADRN Cc1cc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(C)c1 ZINC001361011431 1066194701 /nfs/dbraw/zinc/19/47/01/1066194701.db2.gz RZRUGGGZUNZHEC-DVECYGJZSA-N 0 0 497.684 4.573 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2ccc3c(n2)CCCC3)c(C)c1 ZINC001361011852 1066195421 /nfs/dbraw/zinc/19/54/21/1066195421.db2.gz GXMOVIMOQRFVOK-UHFFFAOYSA-N 0 0 460.626 4.724 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)s1 ZINC001361012216 1066196813 /nfs/dbraw/zinc/19/68/13/1066196813.db2.gz TXBNBQQVRZLJIS-RUZDIDTESA-N 0 0 469.655 4.694 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H]2C)c(C)c1 ZINC001361012177 1066196836 /nfs/dbraw/zinc/19/68/36/1066196836.db2.gz RKXKQJRYVPJTMQ-PYHHMDQSSA-N 0 0 497.684 4.755 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2c(C)cc(C)cc2C)n1 ZINC001361012368 1066197476 /nfs/dbraw/zinc/19/74/76/1066197476.db2.gz WQVFDYNQGGFWEN-DYESRHJHSA-N 0 0 460.548 4.748 20 0 JJADRN COC(=O)c1ncoc1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC001361012353 1066197522 /nfs/dbraw/zinc/19/75/22/1066197522.db2.gz DDAVVZPRJMEFFN-UHFFFAOYSA-N 0 0 456.364 4.706 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCn2cccn2)c(C)c1 ZINC001361012241 1066197543 /nfs/dbraw/zinc/19/75/43/1066197543.db2.gz URYWEDYKNYXMSP-FYYLOGMGSA-N 0 0 450.631 4.503 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2ccc3c(Br)cnn3c2)c1 ZINC001361013172 1066198107 /nfs/dbraw/zinc/19/81/07/1066198107.db2.gz CQVQSFJVWMYYJE-UHFFFAOYSA-N 0 0 453.134 4.899 20 0 JJADRN Cc1cnn(CC(=O)N[C@@H](Cc2c(F)cccc2Cl)c2ccccc2Br)c1 ZINC001361012763 1066198231 /nfs/dbraw/zinc/19/82/31/1066198231.db2.gz POWSNGZYHNHAGG-IBGZPJMESA-N 0 0 450.739 4.847 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCSC(F)(F)F)c(C)c1 ZINC001361014110 1066199558 /nfs/dbraw/zinc/19/95/58/1066199558.db2.gz GSEIIJDYIHKWSJ-UHFFFAOYSA-N 0 0 480.560 4.537 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)CCC(C)C)c(C)c1 ZINC001361014025 1066199569 /nfs/dbraw/zinc/19/95/69/1066199569.db2.gz DJGSXARXOLWGHA-AJTFRIOCSA-N 0 0 485.673 4.707 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCCS2)c(C)c1 ZINC001361014170 1066200158 /nfs/dbraw/zinc/20/01/58/1066200158.db2.gz IYEZSYKDCUSQJO-HXUWFJFHSA-N 0 0 469.680 4.826 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC2CCOCC2)c(C)c1 ZINC001361014405 1066200792 /nfs/dbraw/zinc/20/07/92/1066200792.db2.gz NMPXMWKSGOBGIL-UHFFFAOYSA-N 0 0 476.625 4.547 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)c(C)c1 ZINC001361015105 1066202935 /nfs/dbraw/zinc/20/29/35/1066202935.db2.gz ZMCWBEHPSPXWBQ-DWACAAAGSA-N 0 0 497.684 4.595 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)s2)c(C)c1 ZINC001361015203 1066203308 /nfs/dbraw/zinc/20/33/08/1066203308.db2.gz QGYXMJMQVXOVLM-GOSISDBHSA-N 0 0 474.030 4.893 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015995 1066203840 /nfs/dbraw/zinc/20/38/40/1066203840.db2.gz FDODLMATACOGEH-YVNCXZRQSA-N 0 0 458.505 4.824 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015994 1066203991 /nfs/dbraw/zinc/20/39/91/1066203991.db2.gz FDODLMATACOGEH-SGWGQVFISA-N 0 0 458.505 4.824 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001361016691 1066204301 /nfs/dbraw/zinc/20/43/01/1066204301.db2.gz FJBDBFFRWBWZRE-XMMPIXPASA-N 0 0 497.684 4.773 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(-n2cccc2)ccc1Cl ZINC001361016893 1066204901 /nfs/dbraw/zinc/20/49/01/1066204901.db2.gz WZDBVPCFVKNRSA-VWLOTQADSA-N 0 0 457.961 4.788 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)C)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361017248 1066206036 /nfs/dbraw/zinc/20/60/36/1066206036.db2.gz NFDCENLHEXNUOU-UHFFFAOYSA-N 0 0 455.647 4.830 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)c1 ZINC001361017335 1066206230 /nfs/dbraw/zinc/20/62/30/1066206230.db2.gz PXDFGUFAHRGXIK-UBFVSLLYSA-N 0 0 484.685 4.686 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017647 1066206838 /nfs/dbraw/zinc/20/68/38/1066206838.db2.gz ZDDPAQLMLSEZMF-ZEQRLZLVSA-N 0 0 497.684 4.867 20 0 JJADRN Cc1cc(C)cc(CCn2c(CNC(=O)c3cccs3)nnc2N(CC(C)C)C(C)C)c1 ZINC001361017607 1066206866 /nfs/dbraw/zinc/20/68/66/1066206866.db2.gz XVBRJAUEQOPKTO-UHFFFAOYSA-N 0 0 453.656 5.000 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCCCC3)n2CCCOC2CCOCC2)c1 ZINC001361017688 1066206943 /nfs/dbraw/zinc/20/69/43/1066206943.db2.gz AMBZBSMSJSKBDF-UHFFFAOYSA-N 0 0 456.631 4.829 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCSC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361018583 1066208122 /nfs/dbraw/zinc/20/81/22/1066208122.db2.gz PFDTZIBNRBGUJM-FQEVSTJZSA-N 0 0 451.640 4.788 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)CN2CCOCC2)cs1 ZINC001361019055 1066209370 /nfs/dbraw/zinc/20/93/70/1066209370.db2.gz WGFJSPTWOAVGIH-UHFFFAOYSA-N 0 0 497.709 4.687 20 0 JJADRN CSc1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001361019417 1066210021 /nfs/dbraw/zinc/21/00/21/1066210021.db2.gz XBOYWGNSUDXVQJ-UHFFFAOYSA-N 0 0 454.617 4.625 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020452 1066210392 /nfs/dbraw/zinc/21/03/92/1066210392.db2.gz WZMXVZACLKXBMD-FQEVSTJZSA-N 0 0 450.970 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2ncccc2C)c1 ZINC001361020843 1066211667 /nfs/dbraw/zinc/21/16/67/1066211667.db2.gz JYBWKWURNSNBPC-FQEVSTJZSA-N 0 0 462.623 4.922 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2CCSC2)c1 ZINC001361020886 1066212001 /nfs/dbraw/zinc/21/20/01/1066212001.db2.gz LOHIDKQMSQTXFD-RBUKOAKNSA-N 0 0 457.669 4.923 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)no1 ZINC001361020946 1066212514 /nfs/dbraw/zinc/21/25/14/1066212514.db2.gz NRSKZOHOYHOUQO-UHFFFAOYSA-N 0 0 492.527 4.930 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCSC1 ZINC001361020890 1066212549 /nfs/dbraw/zinc/21/25/49/1066212549.db2.gz LRBCASXBFVECHY-FQEVSTJZSA-N 0 0 455.628 4.858 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccoc3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361021073 1066213270 /nfs/dbraw/zinc/21/32/70/1066213270.db2.gz QBUDPGWHXAWUQM-UHFFFAOYSA-N 0 0 469.492 4.748 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2=CCCOC2)c1 ZINC001361021070 1066213281 /nfs/dbraw/zinc/21/32/81/1066213281.db2.gz QATMZLYWTSUTEZ-UHFFFAOYSA-N 0 0 453.974 4.505 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)c2cccs2)s1 ZINC001361021168 1066213645 /nfs/dbraw/zinc/21/36/45/1066213645.db2.gz SCPQWFOGDAHMPF-DEOSSOPVSA-N 0 0 483.663 4.844 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CCc2cccnc2)c1 ZINC001361021384 1066214604 /nfs/dbraw/zinc/21/46/04/1066214604.db2.gz WIIMNGPCJWBVBO-FQEVSTJZSA-N 0 0 462.623 4.808 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC2([S@@](C)=O)CCC2)c1 ZINC001361022137 1066216250 /nfs/dbraw/zinc/21/62/50/1066216250.db2.gz HESYRGAQJGCCJL-GFJKYASSSA-N 0 0 456.656 4.568 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)(F)F)n1 ZINC001361022217 1066216901 /nfs/dbraw/zinc/21/69/01/1066216901.db2.gz JHIBDLDAUHCEHX-UHFFFAOYSA-N 0 0 464.536 4.766 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCOCC3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361022352 1066217278 /nfs/dbraw/zinc/21/72/78/1066217278.db2.gz NUMYRWOCDFGJQB-NHCUHLMSSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H]2CCCCS2)c1 ZINC001361022307 1066217444 /nfs/dbraw/zinc/21/74/44/1066217444.db2.gz MKXUVMGMBPRHCD-JOCHJYFZSA-N 0 0 474.671 4.595 20 0 JJADRN Cc1c2cccc(F)c2oc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023219 1066219175 /nfs/dbraw/zinc/21/91/75/1066219175.db2.gz IITVDKOCDPLHQL-NRFANRHFSA-N 0 0 455.482 4.942 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCn3cccn3)n2CCc2ccc(Cl)s2)c1 ZINC001361023558 1066220004 /nfs/dbraw/zinc/22/00/04/1066220004.db2.gz AVLDUVACEUXQIU-UHFFFAOYSA-N 0 0 471.030 4.764 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CC(=O)NC2CCCCC2)c1 ZINC001361023567 1066220016 /nfs/dbraw/zinc/22/00/16/1066220016.db2.gz AYHPCFJFRWZDBA-RXVVDRJESA-N 0 0 453.631 4.548 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(OC3CCC3)cc2)c2ccc(F)cc2)c1 ZINC001361024010 1066220556 /nfs/dbraw/zinc/22/05/56/1066220556.db2.gz RXWZQICBFNLQMM-DEOSSOPVSA-N 0 0 453.535 4.680 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361023807 1066220577 /nfs/dbraw/zinc/22/05/77/1066220577.db2.gz DKCRIDUDNBGGTG-IBGZPJMESA-N 0 0 467.580 4.840 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001442771258 1066221007 /nfs/dbraw/zinc/22/10/07/1066221007.db2.gz VIQKJCGPAHEPRM-QGZVFWFLSA-N 0 0 456.974 4.617 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442775247 1066221144 /nfs/dbraw/zinc/22/11/44/1066221144.db2.gz IUMLYEUNBCNYBQ-NQIIRXRSSA-N 0 0 453.583 4.702 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)s1 ZINC001442774960 1066221312 /nfs/dbraw/zinc/22/13/12/1066221312.db2.gz FQOKZSRWCJWKGN-DLBZAZTESA-N 0 0 450.605 4.619 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)c1 ZINC001361024107 1066221435 /nfs/dbraw/zinc/22/14/35/1066221435.db2.gz IDDRAXDUEJZYCE-TUNNFDKTSA-N 0 0 483.657 4.869 20 0 JJADRN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001442776019 1066221895 /nfs/dbraw/zinc/22/18/95/1066221895.db2.gz YLIWORUNFTZAEK-UHFFFAOYSA-N 0 0 454.269 4.999 20 0 JJADRN Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001361024173 1066221781 /nfs/dbraw/zinc/22/17/81/1066221781.db2.gz IUFSTUYRQIQTFB-UHFFFAOYSA-N 0 0 497.709 4.634 20 0 JJADRN C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361024148 1066222047 /nfs/dbraw/zinc/22/20/47/1066222047.db2.gz SOHLJXKYXLNIIC-UUOWRZLLSA-N 0 0 455.551 4.540 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001442779935 1066222115 /nfs/dbraw/zinc/22/21/15/1066222115.db2.gz MFELRQKMAXQDGU-SFHVURJKSA-N 0 0 453.421 4.876 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001442791385 1066222497 /nfs/dbraw/zinc/22/24/97/1066222497.db2.gz ZSGUIJAYZPXRTM-LVSMMTLPSA-N 0 0 455.839 4.847 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C ZINC001442787312 1066222584 /nfs/dbraw/zinc/22/25/84/1066222584.db2.gz QCMAJSFNQZCGII-UHFFFAOYSA-N 0 0 454.983 4.584 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001442788279 1066222695 /nfs/dbraw/zinc/22/26/95/1066222695.db2.gz XPQRZIQFQQFPLR-QGZVFWFLSA-N 0 0 453.421 4.775 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@@H]3c3ccc(Br)cc3)C2)c1 ZINC001453936921 1066222649 /nfs/dbraw/zinc/22/26/49/1066222649.db2.gz UHKATYKOYLTBRX-DENIHFKCSA-N 0 0 455.396 4.892 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)c1 ZINC001361024705 1066222666 /nfs/dbraw/zinc/22/26/66/1066222666.db2.gz OVWIPHYILSQUNY-DEOSSOPVSA-N 0 0 488.698 4.846 20 0 JJADRN CC1(C)C[C@]1(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC001453940579 1066223393 /nfs/dbraw/zinc/22/33/93/1066223393.db2.gz BRSZMAPNZUBNAS-VWLOTQADSA-N 0 0 452.551 4.724 20 0 JJADRN O=C(Cc1cccnc1Br)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC001442802228 1066224133 /nfs/dbraw/zinc/22/41/33/1066224133.db2.gz NRTKNJXWIRMQLV-UHFFFAOYSA-N 0 0 457.349 4.948 20 0 JJADRN C[C@H](CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2)c1c(Cl)cccc1Cl ZINC001442802243 1066224145 /nfs/dbraw/zinc/22/41/45/1066224145.db2.gz WADSTFGFTZMJTE-GFCCVEGCSA-N 0 0 453.370 4.543 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C3CCCC3)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001361025179 1066224109 /nfs/dbraw/zinc/22/41/09/1066224109.db2.gz YIWPVPGJQNFLKJ-UHFFFAOYSA-N 0 0 488.698 4.846 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1nc(F)ccc1Br ZINC001361026025 1066224479 /nfs/dbraw/zinc/22/44/79/1066224479.db2.gz WCOZYNDVFLMMKC-UHFFFAOYSA-N 0 0 456.153 4.988 20 0 JJADRN O=C(CC[C@H]1Cc2ccccc2NC1=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361025587 1066224500 /nfs/dbraw/zinc/22/45/00/1066224500.db2.gz IRSSLCYBCOTQNB-SFHVURJKSA-N 0 0 455.396 4.968 20 0 JJADRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361025586 1066224523 /nfs/dbraw/zinc/22/45/23/1066224523.db2.gz IRSSLCYBCOTQNB-GOSISDBHSA-N 0 0 455.396 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC001453947311 1066224553 /nfs/dbraw/zinc/22/45/53/1066224553.db2.gz UIISBLPSNZROJZ-LSDHHAIUSA-N 0 0 455.368 4.556 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)C2)c(O)cc1Cl ZINC001453953134 1066224807 /nfs/dbraw/zinc/22/48/07/1066224807.db2.gz XZTOVIYCAHZETB-KBMIEXCESA-N 0 0 456.970 4.719 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361026037 1066225291 /nfs/dbraw/zinc/22/52/91/1066225291.db2.gz WNDUJYPMADICQQ-IBGZPJMESA-N 0 0 451.449 4.954 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546056431 1066225239 /nfs/dbraw/zinc/22/52/39/1066225239.db2.gz FTOBBYYAEBQGKV-UTAZYMRLSA-N 0 0 475.678 4.804 20 0 JJADRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(OC)cc(Br)c1N ZINC001453958428 1066225565 /nfs/dbraw/zinc/22/55/65/1066225565.db2.gz ZWLIPPAXSCWBEH-ZDUSSCGKSA-N 0 0 456.178 4.554 20 0 JJADRN COc1ccn2c(c1)ncc2C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC001361025806 1066225384 /nfs/dbraw/zinc/22/53/84/1066225384.db2.gz PTSXNKMSVJTRCA-UHFFFAOYSA-N 0 0 452.308 4.937 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361026018 1066225518 /nfs/dbraw/zinc/22/55/18/1066225518.db2.gz WACJZIZXKBHNMW-UHFFFAOYSA-N 0 0 453.421 4.928 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC001361026216 1066225538 /nfs/dbraw/zinc/22/55/38/1066225538.db2.gz BNOXNSWFMODJIS-WXFUMESZSA-N 0 0 455.526 4.768 20 0 JJADRN COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccccc1C ZINC001453963122 1066226066 /nfs/dbraw/zinc/22/60/66/1066226066.db2.gz NIGZMZKBJHTELD-RUZDIDTESA-N 0 0 458.558 4.902 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546056468 1066226148 /nfs/dbraw/zinc/22/61/48/1066226148.db2.gz GEIKJMJNVKUCQC-RRZZWSPOSA-N 0 0 462.585 4.975 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361026437 1066226071 /nfs/dbraw/zinc/22/60/71/1066226071.db2.gz BVJQSLSZTLJICF-RBJSKKJNSA-N 0 0 484.685 4.914 20 0 JJADRN C[C@@H](NC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1Oc1ccccc1 ZINC001442812722 1066226094 /nfs/dbraw/zinc/22/60/94/1066226094.db2.gz MSQASLVTVYLHRH-BCHFMIIMSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc(C(F)(F)F)n1 ZINC001442815282 1066226399 /nfs/dbraw/zinc/22/63/99/1066226399.db2.gz SMUMOCVRPLCEDN-CYBMUJFWSA-N 0 0 451.836 4.527 20 0 JJADRN COc1cc(CCNC(=O)c2c(Cl)n[nH]c2C2CC2)cc(OC)c1OCc1ccccc1 ZINC001453965068 1066226398 /nfs/dbraw/zinc/22/63/98/1066226398.db2.gz ADUUXGURRKEWTB-UHFFFAOYSA-N 0 0 455.942 4.509 20 0 JJADRN COc1cc(OC)c(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)CC2)c(OC)c1 ZINC001453969795 1066226864 /nfs/dbraw/zinc/22/68/64/1066226864.db2.gz GAOKGZJACZRBTJ-CQSZACIVSA-N 0 0 451.922 4.678 20 0 JJADRN CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001442821306 1066226918 /nfs/dbraw/zinc/22/69/18/1066226918.db2.gz XYHUBVGABHCALN-RDJZCZTQSA-N 0 0 458.912 4.663 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361026860 1066227319 /nfs/dbraw/zinc/22/73/19/1066227319.db2.gz IFNABVXZYKXYPJ-PCCBWWKXSA-N 0 0 471.646 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361026861 1066227493 /nfs/dbraw/zinc/22/74/93/1066227493.db2.gz IFNABVXZYKXYPJ-PWRODBHTSA-N 0 0 471.646 4.869 20 0 JJADRN CC(C)c1nocc1C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442825002 1066227826 /nfs/dbraw/zinc/22/78/26/1066227826.db2.gz RHAOLZFSDJPCQO-GOSISDBHSA-N 0 0 457.527 4.607 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@H](C(C)C)C2)O1 ZINC001546056548 1066228674 /nfs/dbraw/zinc/22/86/74/1066228674.db2.gz HCCVPDXZBZDVPW-WRALFONMSA-N 0 0 474.671 4.791 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361027368 1066229435 /nfs/dbraw/zinc/22/94/35/1066229435.db2.gz BRIXHOILEWPLNG-UYAOXDASSA-N 0 0 464.532 4.724 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001361027364 1066229732 /nfs/dbraw/zinc/22/97/32/1066229732.db2.gz BRIXHOILEWPLNG-ICSRJNTNSA-N 0 0 464.532 4.724 20 0 JJADRN CC(C)Cc1ccc([C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C2CC2)cc1 ZINC001442844260 1066230727 /nfs/dbraw/zinc/23/07/27/1066230727.db2.gz FOMGIZIMZYGGIO-JOCHJYFZSA-N 0 0 457.368 4.860 20 0 JJADRN Cc1sc2ncc(C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)c(=O)n2c1C ZINC001442844431 1066230985 /nfs/dbraw/zinc/23/09/85/1066230985.db2.gz URMSPJTUKSFIFM-UHFFFAOYSA-N 0 0 450.564 4.513 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(c4nccs4)CC3)n2CC(F)(F)F)c1 ZINC001361027880 1066231304 /nfs/dbraw/zinc/23/13/04/1066231304.db2.gz SRUISWWGGAMXBU-UHFFFAOYSA-N 0 0 451.518 4.877 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccc2OC)O1 ZINC001546057190 1066231217 /nfs/dbraw/zinc/23/12/17/1066231217.db2.gz OOOMXIUZDVANAW-SQJMNOBHSA-N 0 0 470.017 4.910 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361028013 1066231719 /nfs/dbraw/zinc/23/17/19/1066231719.db2.gz VXWQBXCCUQAUSH-OAQYLSRUSA-N 0 0 488.698 4.704 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1Br ZINC001453998082 1066232024 /nfs/dbraw/zinc/23/20/24/1066232024.db2.gz FFIZMPKKLSDABM-XIKOKIGWSA-N 0 0 455.190 4.668 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NCCC(=O)Nc3cccc(Cl)c3C)[nH]n2)c1C ZINC001442855769 1066232008 /nfs/dbraw/zinc/23/20/08/1066232008.db2.gz LMSAOSLVLAXYKE-CYBMUJFWSA-N 0 0 456.978 4.581 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361028401 1066232426 /nfs/dbraw/zinc/23/24/26/1066232426.db2.gz ZWAMBRKYOUNJMC-VMODYCNZSA-N 0 0 470.658 4.524 20 0 JJADRN O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCc2c(Br)cccc2C1 ZINC001442859346 1066232740 /nfs/dbraw/zinc/23/27/40/1066232740.db2.gz OWSXXPDJJFVDEZ-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCOC(C)(C)C)O1 ZINC001546057332 1066232834 /nfs/dbraw/zinc/23/28/34/1066232834.db2.gz QDZOQMJPSAVBKB-LVXARBLLSA-N 0 0 453.631 4.880 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCOC(C)(C)C)O1 ZINC001546057334 1066232901 /nfs/dbraw/zinc/23/29/01/1066232901.db2.gz QDZOQMJPSAVBKB-RLWLMLJZSA-N 0 0 453.631 4.880 20 0 JJADRN O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N1CCc2c(Br)cccc2C1 ZINC001442859403 1066233019 /nfs/dbraw/zinc/23/30/19/1066233019.db2.gz QIHOSVFSLOISJO-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN CCCN(C(=O)CCCCN(C)C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001442863702 1066233163 /nfs/dbraw/zinc/23/31/63/1066233163.db2.gz JHMGOEMBASRHCJ-UHFFFAOYSA-N 0 0 459.631 4.567 20 0 JJADRN CNc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c(Cl)c1 ZINC001442862592 1066233179 /nfs/dbraw/zinc/23/31/79/1066233179.db2.gz JWUVPIZJIMTHCF-UHFFFAOYSA-N 0 0 450.764 4.635 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001454006921 1066233473 /nfs/dbraw/zinc/23/34/73/1066233473.db2.gz CLUIERCZCRBJRU-CYBMUJFWSA-N 0 0 453.555 4.738 20 0 JJADRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1NC(=O)OC(C)(C)C ZINC001442867141 1066233592 /nfs/dbraw/zinc/23/35/92/1066233592.db2.gz QFIUNMOCRDUZTL-UHFFFAOYSA-N 0 0 455.530 4.972 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1-c1ccccn1 ZINC001442865917 1066233745 /nfs/dbraw/zinc/23/37/45/1066233745.db2.gz SAKHEEWTAQFVEK-HXUWFJFHSA-N 0 0 458.562 4.740 20 0 JJADRN CNc1ccccc1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001442865364 1066233935 /nfs/dbraw/zinc/23/39/35/1066233935.db2.gz CXRQMZDRPTVOON-UHFFFAOYSA-N 0 0 453.539 4.537 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC001454010934 1066234256 /nfs/dbraw/zinc/23/42/56/1066234256.db2.gz ZXLSYPKCJDCKLV-UHFFFAOYSA-N 0 0 453.583 4.928 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)cc1 ZINC001442867832 1066234519 /nfs/dbraw/zinc/23/45/19/1066234519.db2.gz VJMCLEOGPAAIPS-VOQZNFBZSA-N 0 0 470.411 4.921 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442872396 1066234668 /nfs/dbraw/zinc/23/46/68/1066234668.db2.gz FHMRXBCVPJSLAF-DQEYMECFSA-N 0 0 450.579 4.696 20 0 JJADRN Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454015550 1066234845 /nfs/dbraw/zinc/23/48/45/1066234845.db2.gz JLGXTCPZFNNCTE-XMMPIXPASA-N 0 0 452.551 4.671 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CCSC(F)(F)F)c1 ZINC001361028908 1066235407 /nfs/dbraw/zinc/23/54/07/1066235407.db2.gz UVOZCPNNJXUGFA-LPHOPBHVSA-N 0 0 470.561 4.731 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001442870863 1066235458 /nfs/dbraw/zinc/23/54/58/1066235458.db2.gz DGOVGAHPWRKXTJ-MCIDSYJDSA-N 0 0 450.579 4.999 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001442876393 1066236150 /nfs/dbraw/zinc/23/61/50/1066236150.db2.gz UOFVVGRTGIRVLI-PUZFROQSSA-N 0 0 459.562 4.955 20 0 JJADRN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001454018214 1066236196 /nfs/dbraw/zinc/23/61/96/1066236196.db2.gz NDNGUTYIZWWOMI-HXUWFJFHSA-N 0 0 452.382 4.939 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546056717 1066236568 /nfs/dbraw/zinc/23/65/68/1066236568.db2.gz JEIWUISCCPFMBU-NFBKMPQASA-N 0 0 482.547 4.992 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001361029150 1066236651 /nfs/dbraw/zinc/23/66/51/1066236651.db2.gz ZYLGJRIKXREXOX-FQEVSTJZSA-N 0 0 454.644 4.749 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546056720 1066236802 /nfs/dbraw/zinc/23/68/02/1066236802.db2.gz JEIWUISCCPFMBU-REWPJTCUSA-N 0 0 482.547 4.992 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)[C@H](C)C2)cc1 ZINC001361030079 1066237278 /nfs/dbraw/zinc/23/72/78/1066237278.db2.gz WPUFJYIDQPIVQS-RTWAWAEBSA-N 0 0 458.558 4.645 20 0 JJADRN O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001361029735 1066237321 /nfs/dbraw/zinc/23/73/21/1066237321.db2.gz BOCMZBGZXYEUQB-UHFFFAOYSA-N 0 0 459.271 4.823 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC001361030399 1066237555 /nfs/dbraw/zinc/23/75/55/1066237555.db2.gz NAKIQWXTOOENOJ-KRWDZBQOSA-N 0 0 451.544 4.997 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)c(Cl)c1 ZINC001361030717 1066238012 /nfs/dbraw/zinc/23/80/12/1066238012.db2.gz VKVTXUCPYOMMSP-QGZVFWFLSA-N 0 0 454.929 4.693 20 0 JJADRN O=C(c1ccc(NCCN2CCOCC2)c(Cl)c1)N(Cc1ccsc1)c1ccccc1 ZINC001442901739 1066238103 /nfs/dbraw/zinc/23/81/03/1066238103.db2.gz CLTCEJORTKWIOT-UHFFFAOYSA-N 0 0 456.011 4.993 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)n1 ZINC001454037921 1066238304 /nfs/dbraw/zinc/23/83/04/1066238304.db2.gz NGYXEMVZTRAIKT-UHFFFAOYSA-N 0 0 454.596 4.943 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(C)=O)CC2)O1 ZINC001546057392 1066238900 /nfs/dbraw/zinc/23/89/00/1066238900.db2.gz RMJBLELTOWUIDE-RBJSKKJNSA-N 0 0 497.684 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)NCC(F)(F)c3ccc(F)cc3)C2)C1 ZINC001454039296 1066238963 /nfs/dbraw/zinc/23/89/63/1066238963.db2.gz SIPNAMLXBPGOAV-CXJKMVGQSA-N 0 0 458.546 4.603 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546057366 1066239058 /nfs/dbraw/zinc/23/90/58/1066239058.db2.gz QWFQUZULUGZNDQ-SQJMNOBHSA-N 0 0 453.587 4.754 20 0 JJADRN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001442910214 1066239281 /nfs/dbraw/zinc/23/92/81/1066239281.db2.gz QPPZNDFVYASSKE-HXUWFJFHSA-N 0 0 456.989 4.888 20 0 JJADRN COc1cc(I)c(C(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1OC ZINC001454042595 1066239656 /nfs/dbraw/zinc/23/96/56/1066239656.db2.gz NSTLKOGNIRHRGE-OAHLLOKOSA-N 0 0 457.352 4.741 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC001442919034 1066240019 /nfs/dbraw/zinc/24/00/19/1066240019.db2.gz IJVUABRAGWARRM-NRFANRHFSA-N 0 0 454.636 4.873 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cc(F)cc(F)c2)O1 ZINC001546057472 1066240438 /nfs/dbraw/zinc/24/04/38/1066240438.db2.gz SIWXROFWOJKJOC-NZQKXSOJSA-N 0 0 461.582 4.896 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2OC(F)F)CC1)c1ccccc1 ZINC001442919604 1066240788 /nfs/dbraw/zinc/24/07/88/1066240788.db2.gz GAEZBRWDBSCAET-SFHVURJKSA-N 0 0 450.913 4.856 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC[C@H]4CCOC4)CC3)n2CCC(C)(F)F)c1 ZINC001361031235 1066240794 /nfs/dbraw/zinc/24/07/94/1066240794.db2.gz LYJXGWGJAFONHN-FQEVSTJZSA-N 0 0 478.584 4.541 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCOC[C@@H]2CCCO2)c1 ZINC001361031163 1066240973 /nfs/dbraw/zinc/24/09/73/1066240973.db2.gz JLKJUDQFWAVOND-RTWAWAEBSA-N 0 0 496.574 4.838 20 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Cc1ncc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001361031711 1066242849 /nfs/dbraw/zinc/24/28/49/1066242849.db2.gz ZNRYJWDIHHDBKD-FQEVSTJZSA-N 0 0 455.628 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCSC(F)(F)F)c1 ZINC001361031676 1066243058 /nfs/dbraw/zinc/24/30/58/1066243058.db2.gz YKPUHYOWOYJJMM-HKUYNNGSSA-N 0 0 470.561 4.732 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)C2)s1 ZINC001454083915 1066243564 /nfs/dbraw/zinc/24/35/64/1066243564.db2.gz CRHZSWMUCCIZEK-AWEZNQCLSA-N 0 0 457.939 4.790 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C)CC3)n2CCCOCC2CCOCC2)c1 ZINC001361031872 1066243816 /nfs/dbraw/zinc/24/38/16/1066243816.db2.gz DQTXIEHYZZIRDW-NRFANRHFSA-N 0 0 470.658 4.934 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546057739 1066244002 /nfs/dbraw/zinc/24/40/02/1066244002.db2.gz WUAXGUKASVENRJ-VIICAESSSA-N 0 0 456.631 4.684 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](COC)C2)O1 ZINC001546057738 1066244104 /nfs/dbraw/zinc/24/41/04/1066244104.db2.gz WUAXGUKASVENRJ-RZPFDVGOSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361032011 1066244283 /nfs/dbraw/zinc/24/42/83/1066244283.db2.gz HTRZKQLWJJMXHJ-WVYXNTRSSA-N 0 0 458.672 4.790 20 0 JJADRN O=C(CCCCC(=O)c1ccc(F)cc1)NCCc1ccc(I)s1 ZINC001442950811 1066245039 /nfs/dbraw/zinc/24/50/39/1066245039.db2.gz JKNYUHUGSSZCFJ-UHFFFAOYSA-N 0 0 459.324 4.594 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC2CCOCC2)c1 ZINC001361032131 1066245071 /nfs/dbraw/zinc/24/50/71/1066245071.db2.gz MCCVRYKBUDVERB-JOCHJYFZSA-N 0 0 456.631 4.684 20 0 JJADRN C[C@H](O)[C@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccccc1 ZINC001454105574 1066245325 /nfs/dbraw/zinc/24/53/25/1066245325.db2.gz RJLFADPYOXTOQO-DFBJGRDBSA-N 0 0 454.636 4.860 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@H](C(C)C)[C@@H](O)c3ccc(Cl)cc3)n2)cc1 ZINC001454107798 1066246068 /nfs/dbraw/zinc/24/60/68/1066246068.db2.gz PCZBCWBKFQZQFQ-PKTZIBPZSA-N 0 0 457.958 4.596 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001546058044 1066246079 /nfs/dbraw/zinc/24/60/79/1066246079.db2.gz AFUDGAGEYQSTNR-IRLDBZIGSA-N 0 0 458.002 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361032316 1066246107 /nfs/dbraw/zinc/24/61/07/1066246107.db2.gz QKZAKUKBDRGPTB-FQEVSTJZSA-N 0 0 457.619 4.720 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCc3ccc(Oc4cccc(F)c4)nc3)c2)n1 ZINC001442965364 1066246921 /nfs/dbraw/zinc/24/69/21/1066246921.db2.gz JHNNHTOZFASICQ-UHFFFAOYSA-N 0 0 459.481 4.799 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC001442961916 1066247144 /nfs/dbraw/zinc/24/71/44/1066247144.db2.gz SEULKEYESAEDJR-HXUWFJFHSA-N 0 0 458.562 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001454117576 1066247221 /nfs/dbraw/zinc/24/72/21/1066247221.db2.gz LMZYZAGGPSUUDB-YJYXMDNASA-N 0 0 458.599 4.563 20 0 JJADRN COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(Br)cc(Br)c2N)cc1 ZINC001442968216 1066247591 /nfs/dbraw/zinc/24/75/91/1066247591.db2.gz ISCPRCMQIKKRTP-LLVKDONJSA-N 0 0 456.178 4.506 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC3(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361032819 1066247732 /nfs/dbraw/zinc/24/77/32/1066247732.db2.gz UZXGMKFOEJGPPG-IBGZPJMESA-N 0 0 465.564 4.737 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)CC2)s1 ZINC001361032856 1066247748 /nfs/dbraw/zinc/24/77/48/1066247748.db2.gz VFMLBOUXNOOMDT-QGZVFWFLSA-N 0 0 454.644 4.893 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccc(C2N=NC(=S)O2)cc1 ZINC001442970281 1066247604 /nfs/dbraw/zinc/24/76/04/1066247604.db2.gz LPHHZFDQQIHQJZ-UHFFFAOYSA-N 0 0 451.895 4.578 20 0 JJADRN Cc1ccc(C(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1NC(=O)NC(C)(C)C ZINC001454119170 1066247710 /nfs/dbraw/zinc/24/77/10/1066247710.db2.gz NJXXHKISGGUSAE-SANMLTNESA-N 0 0 453.583 4.902 20 0 JJADRN CCc1ccc([C@@H](NC(=O)Cc2ccc3cccnc3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361032976 1066248131 /nfs/dbraw/zinc/24/81/31/1066248131.db2.gz KILYNKDRMSSQFZ-HHHXNRCGSA-N 0 0 458.583 4.649 20 0 JJADRN CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545953008 1066248417 /nfs/dbraw/zinc/24/84/17/1066248417.db2.gz SCEKWRNFTSHRHM-ICSRJNTNSA-N 0 0 475.609 4.845 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C)CC3)n2CCOc2ncccc2F)c1 ZINC001361033106 1066248846 /nfs/dbraw/zinc/24/88/46/1066248846.db2.gz YBTQBRMIXLKORO-GOSISDBHSA-N 0 0 453.562 4.713 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001442975166 1066249050 /nfs/dbraw/zinc/24/90/50/1066249050.db2.gz VRPWYCYEPHPUCB-UHFFFAOYSA-N 0 0 455.368 4.894 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)C[C@@H]1C ZINC001454130617 1066249333 /nfs/dbraw/zinc/24/93/33/1066249333.db2.gz VSPIIYQBHLQLKD-ZWKOTPCHSA-N 0 0 454.954 4.645 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC(C)(C)C2)s1 ZINC001361033207 1066249476 /nfs/dbraw/zinc/24/94/76/1066249476.db2.gz ZKXHLRJIHHQSFZ-UHFFFAOYSA-N 0 0 454.644 4.893 20 0 JJADRN C[C@@H](N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)CC1)C(F)(F)F ZINC001361033344 1066249741 /nfs/dbraw/zinc/24/97/41/1066249741.db2.gz PZTGHQNWFJPOSJ-CQSZACIVSA-N 0 0 457.290 4.950 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)C2CC(O)(c3cccc(Cl)c3)C2)c1 ZINC001442979290 1066249694 /nfs/dbraw/zinc/24/96/94/1066249694.db2.gz AOPLNYWCTOTCFS-UHFFFAOYSA-N 0 0 450.922 4.837 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 ZINC001442980226 1066249711 /nfs/dbraw/zinc/24/97/11/1066249711.db2.gz ZWUSTSNJSSICKQ-UHFFFAOYSA-N 0 0 456.995 4.871 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(OC)c(F)c2)c1 ZINC001442981594 1066249851 /nfs/dbraw/zinc/24/98/51/1066249851.db2.gz DDXUIFIOQAPTBD-UHFFFAOYSA-N 0 0 450.466 4.697 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)cnc1C(F)(F)F ZINC001454149101 1066250088 /nfs/dbraw/zinc/25/00/88/1066250088.db2.gz FJSJHNTXXHJZSR-PVAVHDDUSA-N 0 0 457.493 4.542 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC001454144747 1066250096 /nfs/dbraw/zinc/25/00/96/1066250096.db2.gz KTFNFIMSYNBBNT-LJQANCHMSA-N 0 0 455.484 4.898 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2CCC(C(F)(F)F)CC2)c1 ZINC001361034743 1066250786 /nfs/dbraw/zinc/25/07/86/1066250786.db2.gz CJJKANFZELWLFS-HDYDNRTBSA-N 0 0 493.574 4.510 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001361034650 1066250898 /nfs/dbraw/zinc/25/08/98/1066250898.db2.gz ZOYBFFKCEARXHF-MRXNPFEDSA-N 0 0 458.345 4.991 20 0 JJADRN Nc1cc(Br)ccc1C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001454179512 1066251287 /nfs/dbraw/zinc/25/12/87/1066251287.db2.gz DFYXAYVJMIYQAY-UHFFFAOYSA-N 0 0 455.331 4.647 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001546058432 1066251344 /nfs/dbraw/zinc/25/13/44/1066251344.db2.gz NKMNPEYAMGHJRN-QYZOEREBSA-N 0 0 451.007 4.993 20 0 JJADRN C[C@H](CC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001546058429 1066251430 /nfs/dbraw/zinc/25/14/30/1066251430.db2.gz NKMNPEYAMGHJRN-CEXWTWQISA-N 0 0 451.007 4.993 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC2(C)CCCC2)c1 ZINC001361034912 1066251464 /nfs/dbraw/zinc/25/14/64/1066251464.db2.gz IMKOPYUXXRWARV-UHFFFAOYSA-N 0 0 482.673 4.684 20 0 JJADRN C[C@H](CC(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1)c1c[nH]c2ccccc21 ZINC001454189736 1066252040 /nfs/dbraw/zinc/25/20/40/1066252040.db2.gz IUPKZZXECYHDRR-MRXNPFEDSA-N 0 0 458.484 4.643 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001443007933 1066251942 /nfs/dbraw/zinc/25/19/42/1066251942.db2.gz AOWKOQOBBCEAPN-AWEZNQCLSA-N 0 0 457.384 4.530 20 0 JJADRN CC(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC001443008955 1066252001 /nfs/dbraw/zinc/25/20/01/1066252001.db2.gz HIGZPRAVPVDLDZ-MSOLQXFVSA-N 0 0 455.498 4.534 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361035033 1066252465 /nfs/dbraw/zinc/25/24/65/1066252465.db2.gz NNGCFERHSYZYGY-VXKWHMMOSA-N 0 0 497.640 4.612 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCCc3csc(N(C)C)n3)c3cnn(C(C)C)c3n2)s1 ZINC001443008937 1066252881 /nfs/dbraw/zinc/25/28/81/1066252881.db2.gz POAWJZVCOXSJND-UHFFFAOYSA-N 0 0 454.625 4.544 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361035113 1066253017 /nfs/dbraw/zinc/25/30/17/1066253017.db2.gz QONKIKVTDRRZKA-NJDAHSKKSA-N 0 0 479.591 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361035114 1066253162 /nfs/dbraw/zinc/25/31/62/1066253162.db2.gz QONKIKVTDRRZKA-NJYVYQBISA-N 0 0 479.591 4.983 20 0 JJADRN Cc1ccc([C@@](O)(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)C(F)(F)F)o1 ZINC001454195714 1066253272 /nfs/dbraw/zinc/25/32/72/1066253272.db2.gz RQBVDUGUNYBVDR-AOMKIAJQSA-N 0 0 453.457 4.590 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)Cc2cccs2)c1 ZINC001361035361 1066253881 /nfs/dbraw/zinc/25/38/81/1066253881.db2.gz CPEASMJGKMDXKS-HXUWFJFHSA-N 0 0 489.636 4.801 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 ZINC001443016585 1066253921 /nfs/dbraw/zinc/25/39/21/1066253921.db2.gz QQZWUNMUVPZEDO-HSZRJFAPSA-N 0 0 454.636 4.554 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 ZINC001443016587 1066253971 /nfs/dbraw/zinc/25/39/71/1066253971.db2.gz QQZWUNMUVPZEDO-QHCPKHFHSA-N 0 0 454.636 4.554 20 0 JJADRN CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205565 1066254069 /nfs/dbraw/zinc/25/40/69/1066254069.db2.gz PMBDLPNGIZZHAL-HQPKTYMTSA-N 0 0 455.967 4.998 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C(C)C)cc1 ZINC001454202519 1066254123 /nfs/dbraw/zinc/25/41/23/1066254123.db2.gz JUDVWFYJZDEQPE-QFIPXVFZSA-N 0 0 456.011 4.767 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)CCCC1 ZINC001454201403 1066254211 /nfs/dbraw/zinc/25/42/11/1066254211.db2.gz IGXFIPWRUGCSIA-UHFFFAOYSA-N 0 0 450.004 4.841 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1nnc(-c2ccccc2)[nH]1)CC1CCCCC1 ZINC001443019435 1066254717 /nfs/dbraw/zinc/25/47/17/1066254717.db2.gz TWIRVNSHGIUKEE-HXUWFJFHSA-N 0 0 455.603 4.732 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(c2nccs2)CC1)Oc1cccc(F)c1 ZINC001545953269 1066255577 /nfs/dbraw/zinc/25/55/77/1066255577.db2.gz VWNHCWUYZPGHSE-AZUAARDMSA-N 0 0 472.634 4.962 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)c1ccnc(-c2ccccn2)n1 ZINC001361037580 1066255771 /nfs/dbraw/zinc/25/57/71/1066255771.db2.gz KZSZWIQYIGTLNY-UHFFFAOYSA-N 0 0 451.368 4.933 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c(Br)c1 ZINC001361037552 1066255798 /nfs/dbraw/zinc/25/57/98/1066255798.db2.gz KIBSLAHONWIEQT-INIZCTEOSA-N 0 0 451.792 4.965 20 0 JJADRN Cc1cccc(CONC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)n1 ZINC001454238793 1066256301 /nfs/dbraw/zinc/25/63/01/1066256301.db2.gz DHQPOTWAONAPIL-UHFFFAOYSA-N 0 0 454.324 4.575 20 0 JJADRN CCc1noc(-c2ccc(CCNC(=O)c3ccccc3COc3cccc(C=O)c3)cc2)n1 ZINC001443025161 1066256277 /nfs/dbraw/zinc/25/62/77/1066256277.db2.gz ZBKGNLQRMQIXJS-UHFFFAOYSA-N 0 0 455.514 4.663 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC001443025996 1066256295 /nfs/dbraw/zinc/25/62/95/1066256295.db2.gz DTGRGQBGLMJBAQ-MRXNPFEDSA-N 0 0 457.137 4.873 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361038260 1066256483 /nfs/dbraw/zinc/25/64/83/1066256483.db2.gz GSKTTZCURNUYQH-HHHXNRCGSA-N 0 0 480.657 4.642 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361037924 1066256523 /nfs/dbraw/zinc/25/65/23/1066256523.db2.gz CGFXNLBRSQTXJL-NLFFAJNJSA-N 0 0 458.672 4.747 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361038113 1066256596 /nfs/dbraw/zinc/25/65/96/1066256596.db2.gz FSPNYTKQMUKKSS-XMMPIXPASA-N 0 0 493.652 4.956 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@H]2C)O1 ZINC001546058833 1066256877 /nfs/dbraw/zinc/25/68/77/1066256877.db2.gz ASOUMNMRFXONAV-WWMMDOJLSA-N 0 0 491.677 4.702 20 0 JJADRN CC(C)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1cccc(C(F)(F)F)n1 ZINC001443031439 1066256911 /nfs/dbraw/zinc/25/69/11/1066256911.db2.gz TYYOXKCUJFPWRR-HNNXBMFYSA-N 0 0 457.290 4.741 20 0 JJADRN Cn1cc([C@H]2N(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)CC2(C)C)cn1 ZINC001454243345 1066257032 /nfs/dbraw/zinc/25/70/32/1066257032.db2.gz FGOOBUCQQCJPSY-NHCUHLMSSA-N 0 0 454.368 4.912 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2cc(Br)ccc2O)C1 ZINC001454243157 1066257117 /nfs/dbraw/zinc/25/71/17/1066257117.db2.gz VMZIUGNZLBZJCV-UHFFFAOYSA-N 0 0 458.331 4.704 20 0 JJADRN Cn1cc([C@@H]2N(C(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)CC2(C)C)cn1 ZINC001454243350 1066257541 /nfs/dbraw/zinc/25/75/41/1066257541.db2.gz FGOOBUCQQCJPSY-SFTDATJTSA-N 0 0 454.368 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001443050231 1066258401 /nfs/dbraw/zinc/25/84/01/1066258401.db2.gz YTIVHCJFYXEIHD-ZRBLBEILSA-N 0 0 454.542 4.524 20 0 JJADRN CCOc1c(Br)cc(Cl)cc1NC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)F ZINC001443047147 1066258417 /nfs/dbraw/zinc/25/84/17/1066258417.db2.gz FOAXJXKNLYRVON-AMIZOPFISA-N 0 0 463.710 4.960 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)s1 ZINC001454251912 1066258551 /nfs/dbraw/zinc/25/85/51/1066258551.db2.gz KSOBXZJUKNTGNF-INIZCTEOSA-N 0 0 452.580 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC001454256617 1066258957 /nfs/dbraw/zinc/25/89/57/1066258957.db2.gz WLLWYXGTFJOQCY-QHCPKHFHSA-N 0 0 450.579 4.919 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCCC(C)(C)C)c1 ZINC001361039133 1066259842 /nfs/dbraw/zinc/25/98/42/1066259842.db2.gz YIGIKPJAIXPFRA-GOTSBHOMSA-N 0 0 456.631 4.684 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NCC[C@@H]1CCCS1 ZINC001454264541 1066259685 /nfs/dbraw/zinc/25/96/85/1066259685.db2.gz QOMRDNFGOLNHSZ-HNNXBMFYSA-N 0 0 453.427 4.707 20 0 JJADRN CCCc1c(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001454264272 1066259745 /nfs/dbraw/zinc/25/97/45/1066259745.db2.gz KXXXLLACDRUPJZ-JOCHJYFZSA-N 0 0 452.002 4.783 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc3c2CCOC3)cc1OCC ZINC001454264464 1066260041 /nfs/dbraw/zinc/26/00/41/1066260041.db2.gz IZQJOUDYQLMMSM-UHFFFAOYSA-N 0 0 459.542 4.718 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001361039278 1066260327 /nfs/dbraw/zinc/26/03/27/1066260327.db2.gz CFIWWSYKLFPWBK-ZWKOTPCHSA-N 0 0 472.684 4.597 20 0 JJADRN CCN(CC(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001443057513 1066260429 /nfs/dbraw/zinc/26/04/29/1066260429.db2.gz VCFCSHSRIGRJHX-UHFFFAOYSA-N 0 0 450.023 4.552 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccsc2)c1 ZINC001361039375 1066260467 /nfs/dbraw/zinc/26/04/67/1066260467.db2.gz GBLUYDURNNAAGX-NRFANRHFSA-N 0 0 453.612 4.515 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001361039419 1066260996 /nfs/dbraw/zinc/26/09/96/1066260996.db2.gz GTVRIVMHECNREY-AZUAARDMSA-N 0 0 455.628 4.652 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001361039420 1066261098 /nfs/dbraw/zinc/26/10/98/1066261098.db2.gz GTVRIVMHECNREY-ICSRJNTNSA-N 0 0 455.628 4.652 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361039516 1066261112 /nfs/dbraw/zinc/26/11/12/1066261112.db2.gz KRYNNMFWTFYMRX-OAQYLSRUSA-N 0 0 471.646 4.933 20 0 JJADRN Cc1noc(C)c1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001361039422 1066261180 /nfs/dbraw/zinc/26/11/80/1066261180.db2.gz GTVRIVMHECNREY-UYAOXDASSA-N 0 0 455.628 4.652 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2Cc2cccc(Br)n2)c1 ZINC001361039730 1066261839 /nfs/dbraw/zinc/26/18/39/1066261839.db2.gz RVYKCUQHDYRSCX-QGZVFWFLSA-N 0 0 488.455 4.621 20 0 JJADRN Cc1noc(C)c1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001361039652 1066261930 /nfs/dbraw/zinc/26/19/30/1066261930.db2.gz PLYGLZTYOLTCFF-FOIQADDNSA-N 0 0 463.504 4.762 20 0 JJADRN COc1cccc(N2CC[C@H](NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC001443064469 1066261960 /nfs/dbraw/zinc/26/19/60/1066261960.db2.gz KHMKGNLQVIRNRV-SFHVURJKSA-N 0 0 456.468 4.861 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361039898 1066262976 /nfs/dbraw/zinc/26/29/76/1066262976.db2.gz YSMOERYTGLJNNJ-OFNKIYASSA-N 0 0 480.632 4.988 20 0 JJADRN CN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001454276392 1066263229 /nfs/dbraw/zinc/26/32/29/1066263229.db2.gz ABKLQCALAKTQSC-UHFFFAOYSA-N 0 0 457.424 4.984 20 0 JJADRN Cc1cc2c(NC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)n[nH]c2c(Br)c1 ZINC001454278185 1066263615 /nfs/dbraw/zinc/26/36/15/1066263615.db2.gz ULTIRHNVWVEHML-QWHCGFSZSA-N 0 0 451.365 4.656 20 0 JJADRN Cc1cc2c(NC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)n[nH]c2c(Br)c1 ZINC001454277563 1066263630 /nfs/dbraw/zinc/26/36/30/1066263630.db2.gz PGLBTTBKFIBSIE-YCRPNKLZSA-N 0 0 463.376 4.752 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc(C(F)(F)F)c1 ZINC001443085407 1066264133 /nfs/dbraw/zinc/26/41/33/1066264133.db2.gz DOMWOFBMKVFVTE-KRWDZBQOSA-N 0 0 450.413 4.632 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1Cl)c1ccc(C(C)(C)C)cc1 ZINC001361041475 1066264191 /nfs/dbraw/zinc/26/41/91/1066264191.db2.gz ZWEJYKAWBHOOTD-OAQYLSRUSA-N 0 0 453.970 4.917 20 0 JJADRN Cc1cc2c(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)n[nH]c2c(Br)c1 ZINC001454279788 1066264384 /nfs/dbraw/zinc/26/43/84/1066264384.db2.gz KVAUGNZQYABOCR-UHFFFAOYSA-N 0 0 453.127 4.770 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1C(=O)OC(C)(C)C ZINC001454285285 1066264841 /nfs/dbraw/zinc/26/48/41/1066264841.db2.gz NMLPXKGKNVZUMK-NRFANRHFSA-N 0 0 454.567 4.833 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCCO1 ZINC001443092586 1066265311 /nfs/dbraw/zinc/26/53/11/1066265311.db2.gz LKNKJYMKECTJPW-MHECFPHRSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042214 1066265463 /nfs/dbraw/zinc/26/54/63/1066265463.db2.gz WLIUNAKKJIVREI-XUZZJYLKSA-N 0 0 496.574 4.745 20 0 JJADRN Cc1[nH]nc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1-c1ccccc1F ZINC001454290640 1066265690 /nfs/dbraw/zinc/26/56/90/1066265690.db2.gz VUCVXXLLMQCHBP-QFIPXVFZSA-N 0 0 458.493 4.730 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC001361042162 1066265542 /nfs/dbraw/zinc/26/55/42/1066265542.db2.gz UOHAFYCDGBOPAD-NRFANRHFSA-N 0 0 467.589 4.754 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)NC(=O)OC(C)(C)C ZINC001545954345 1066266601 /nfs/dbraw/zinc/26/66/01/1066266601.db2.gz CNXUMVREWBXFAS-MSOLQXFVSA-N 0 0 474.675 4.609 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCOc2cc(C)cc(C)c2)n1 ZINC001361042743 1066266865 /nfs/dbraw/zinc/26/68/65/1066266865.db2.gz OIKNRUDFBAYCNK-HSZRJFAPSA-N 0 0 450.631 4.708 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC001454306827 1066266984 /nfs/dbraw/zinc/26/69/84/1066266984.db2.gz ZMDSHFCTJKVSJT-ZDUSSCGKSA-N 0 0 453.764 4.572 20 0 JJADRN C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC001454304242 1066267229 /nfs/dbraw/zinc/26/72/29/1066267229.db2.gz FHNGCMFKXOWYBM-HSZRJFAPSA-N 0 0 457.368 4.537 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361042969 1066267321 /nfs/dbraw/zinc/26/73/21/1066267321.db2.gz WYOUQTYZEYMFRS-FYYLOGMGSA-N 0 0 499.656 4.567 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001361043963 1066267930 /nfs/dbraw/zinc/26/79/30/1066267930.db2.gz MNJIBCNDNIPHHY-UHFFFAOYSA-N 0 0 453.004 4.587 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045137 1066269430 /nfs/dbraw/zinc/26/94/30/1066269430.db2.gz OMWDNBNZAWNOGN-MJGOQNOKSA-N 0 0 496.681 4.904 20 0 JJADRN O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001454324796 1066269663 /nfs/dbraw/zinc/26/96/63/1066269663.db2.gz CEMLISOBJSQEGS-GIJQJNRQSA-N 0 0 452.301 4.674 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@](C)(CO)Cc1ccccc1F ZINC001454315334 1066269690 /nfs/dbraw/zinc/26/96/90/1066269690.db2.gz TTWPECMLDSYKBT-DEOSSOPVSA-N 0 0 452.555 4.603 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC001454324817 1066269700 /nfs/dbraw/zinc/26/97/00/1066269700.db2.gz CJMYDLGEMUXXCS-KRWDZBQOSA-N 0 0 453.511 4.737 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC001454328587 1066270212 /nfs/dbraw/zinc/27/02/12/1066270212.db2.gz ZQFYYVDQNAEEQY-GFCCVEGCSA-N 0 0 459.262 4.733 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045589 1066270439 /nfs/dbraw/zinc/27/04/39/1066270439.db2.gz CMZKHSAVRYYWNQ-FQEVSTJZSA-N 0 0 494.640 4.579 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)cc2C(F)(F)F)CC1 ZINC001443125601 1066271095 /nfs/dbraw/zinc/27/10/95/1066271095.db2.gz OMPXOPYGWXENNS-HLNWXESRSA-N 0 0 497.558 4.808 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546060026 1066271714 /nfs/dbraw/zinc/27/17/14/1066271714.db2.gz ULSBJNGQBFZNEY-SKCUWOTOSA-N 0 0 499.675 4.904 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546060023 1066271810 /nfs/dbraw/zinc/27/18/10/1066271810.db2.gz ULSBJNGQBFZNEY-DFHRPNOPSA-N 0 0 499.675 4.904 20 0 JJADRN COC1CCN(c2ccc(NC(=O)[C@@H](CCCO)c3ccccc3)cc2C(F)(F)F)CC1 ZINC001443126310 1066271683 /nfs/dbraw/zinc/27/16/83/1066271683.db2.gz ULPVJKNINSUDEE-FQEVSTJZSA-N 0 0 450.501 4.815 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CCOCC3)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045697 1066271742 /nfs/dbraw/zinc/27/17/42/1066271742.db2.gz GFJNKIZNGPTVMZ-UHFFFAOYSA-N 0 0 494.640 4.579 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(C)C)n2CCNC(=O)c2cccs2)c2ccccc2n1 ZINC001361045748 1066271868 /nfs/dbraw/zinc/27/18/68/1066271868.db2.gz IKGFBOHMOWGYNW-UHFFFAOYSA-N 0 0 462.623 4.776 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC001454337383 1066272414 /nfs/dbraw/zinc/27/24/14/1066272414.db2.gz IJQSJQOXQAKSQF-NTKDMRAZSA-N 0 0 455.396 4.734 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c2ccccc2)cc1OC ZINC001443134368 1066272412 /nfs/dbraw/zinc/27/24/12/1066272412.db2.gz OEQGLRVOIOLLBF-CLYWQNBRSA-N 0 0 480.605 4.797 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCOc1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443142509 1066272975 /nfs/dbraw/zinc/27/29/75/1066272975.db2.gz RXHAQFAKCCZENQ-KOSHJBKYSA-N 0 0 458.002 4.879 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)O1 ZINC001546060188 1066272960 /nfs/dbraw/zinc/27/29/60/1066272960.db2.gz WOAJEDISBOVIRQ-JEPNLIRKSA-N 0 0 488.595 4.700 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(F)c1F)c1ccccc1Br ZINC001454341767 1066273240 /nfs/dbraw/zinc/27/32/40/1066273240.db2.gz MKEYTWKFTFKZKO-QGZVFWFLSA-N 0 0 455.299 4.610 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001443150971 1066273705 /nfs/dbraw/zinc/27/37/05/1066273705.db2.gz MJKGYXGFKFJKOI-HNNXBMFYSA-N 0 0 453.377 4.824 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC3CCC3)n2CCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361046044 1066273736 /nfs/dbraw/zinc/27/37/36/1066273736.db2.gz SSVGBFQDYVGNNM-UHFFFAOYSA-N 0 0 464.614 4.905 20 0 JJADRN O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001443151694 1066274490 /nfs/dbraw/zinc/27/44/90/1066274490.db2.gz AHCGPFRTQQNGAM-INIZCTEOSA-N 0 0 458.267 4.995 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cscc2C(F)(F)F)C1 ZINC001546060394 1066274621 /nfs/dbraw/zinc/27/46/21/1066274621.db2.gz ZJAOJDHEPRVBFM-HXUWFJFHSA-N 0 0 464.517 4.680 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C(F)F)C2)O1 ZINC001546060306 1066274649 /nfs/dbraw/zinc/27/46/49/1066274649.db2.gz XXYSNRXNVKKUNP-VVWTYHIDSA-N 0 0 497.631 4.878 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccccn3)n2CCCOC(F)(F)F)c2ccccc2n1 ZINC001361046124 1066274700 /nfs/dbraw/zinc/27/47/00/1066274700.db2.gz WQBUNTUEKHTZEA-UHFFFAOYSA-N 0 0 456.472 4.760 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N(CC)CC1CCN(c2ccccn2)CC1)Oc1cccc(F)c1 ZINC001545954916 1066275097 /nfs/dbraw/zinc/27/50/97/1066275097.db2.gz MGLBDIOIQCJPKC-QHCPKHFHSA-N 0 0 466.605 4.721 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H]2CCCC2(C)C)c2ccccc2n1 ZINC001361046199 1066274990 /nfs/dbraw/zinc/27/49/90/1066274990.db2.gz YQJHXWYLXOPFKQ-IBGZPJMESA-N 0 0 462.642 4.979 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc2)n1 ZINC001454374130 1066275750 /nfs/dbraw/zinc/27/57/50/1066275750.db2.gz NZNNIWARBFOQMY-JOCHJYFZSA-N 0 0 459.377 4.808 20 0 JJADRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CSCc2ccc(Br)cc2)o1 ZINC001361046447 1066275904 /nfs/dbraw/zinc/27/59/04/1066275904.db2.gz FDQTZCMMAVVBAS-LJQANCHMSA-N 0 0 458.381 4.700 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Br)nn3-c3ccc(C)cc3)cc2)n1 ZINC001454367870 1066276023 /nfs/dbraw/zinc/27/60/23/1066276023.db2.gz CJGYHCMXHUKAIJ-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)c2ccc(NCc3cnn(C)c3)cc2)cc1 ZINC001443165061 1066275973 /nfs/dbraw/zinc/27/59/73/1066275973.db2.gz ZNLGIQTUOYPNJQ-UHFFFAOYSA-N 0 0 454.574 4.926 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001443163739 1066276037 /nfs/dbraw/zinc/27/60/37/1066276037.db2.gz WKFZADYFDUMWAJ-IBGZPJMESA-N 0 0 454.741 4.615 20 0 JJADRN COc1cncc(N2CCN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)CC2)c1 ZINC001454379536 1066276708 /nfs/dbraw/zinc/27/67/08/1066276708.db2.gz IKVRJHQHLULNHJ-UHFFFAOYSA-N 0 0 455.889 4.940 20 0 JJADRN COCCCOc1cccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C ZINC001443166141 1066276650 /nfs/dbraw/zinc/27/66/50/1066276650.db2.gz NLNZLRJTPUILFK-HSZRJFAPSA-N 0 0 456.970 4.652 20 0 JJADRN CC(C)(C)Oc1cccc(CCC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 ZINC001443172821 1066277248 /nfs/dbraw/zinc/27/72/48/1066277248.db2.gz XRISKJCDAPRMLQ-QHCPKHFHSA-N 0 0 455.986 4.819 20 0 JJADRN CSCc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)cc1 ZINC001443170835 1066277344 /nfs/dbraw/zinc/27/73/44/1066277344.db2.gz ZUCXXTCTTISOOW-HXUWFJFHSA-N 0 0 455.580 4.580 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)c(=O)[nH]c2C)n(-c2ccccc2C(F)(F)F)n1 ZINC001443200211 1066278520 /nfs/dbraw/zinc/27/85/20/1066278520.db2.gz BDCVJHBKLJVCOE-UHFFFAOYSA-N 0 0 455.234 4.623 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)N1CC(Cc2cccc(Br)c2)C1 ZINC001454402249 1066278515 /nfs/dbraw/zinc/27/85/15/1066278515.db2.gz OWZIJGAYUVTJIE-UHFFFAOYSA-N 0 0 455.165 4.984 20 0 JJADRN CC(C)O[C@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 ZINC001443198814 1066278589 /nfs/dbraw/zinc/27/85/89/1066278589.db2.gz HBQTUJGEKYYDMI-QHCPKHFHSA-N 0 0 453.583 4.760 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001443196189 1066278673 /nfs/dbraw/zinc/27/86/73/1066278673.db2.gz BHDFRMUIBFNRPU-INIZCTEOSA-N 0 0 459.974 4.714 20 0 JJADRN Cc1sc(CC(=O)Nc2ccnn2Cc2cccc(Br)c2)nc1-c1ccco1 ZINC001443204371 1066279130 /nfs/dbraw/zinc/27/91/30/1066279130.db2.gz MTROIFXIDQHUDC-UHFFFAOYSA-N 0 0 457.353 4.900 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc2[nH]ccc(=O)c2c1)NC(=O)OC(C)(C)C ZINC001454405315 1066279422 /nfs/dbraw/zinc/27/94/22/1066279422.db2.gz AAYFEOFBVVBRIX-HXUWFJFHSA-N 0 0 451.523 4.521 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCCc3ccccn3)n2CCN(C)CC(F)(F)F)c2ccccc2n1 ZINC001361048922 1066279603 /nfs/dbraw/zinc/27/96/03/1066279603.db2.gz NBOBGFRPMZEKCV-UHFFFAOYSA-N 0 0 497.569 4.760 20 0 JJADRN Cc1cc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@](C)(O)C(C)C)c2ccccc2n1 ZINC001361048959 1066279779 /nfs/dbraw/zinc/27/97/79/1066279779.db2.gz OOCAUQXZZZUOHT-AREMUKBSSA-N 0 0 451.615 4.603 20 0 JJADRN Cc1nc(C(=O)NCCCOc2cccc3cccnc32)nn1-c1c(Cl)cccc1Cl ZINC001443209162 1066279734 /nfs/dbraw/zinc/27/97/34/1066279734.db2.gz XNRDGJKULVWVGD-UHFFFAOYSA-N 0 0 456.333 4.630 20 0 JJADRN CC(C)(C)c1cc(NC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC001443205746 1066279851 /nfs/dbraw/zinc/27/98/51/1066279851.db2.gz NIZGHHBQWDKKEK-IBGZPJMESA-N 0 0 459.999 4.590 20 0 JJADRN O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)c1cccc(OCc2cccs2)c1 ZINC001454411567 1066279882 /nfs/dbraw/zinc/27/98/82/1066279882.db2.gz IOLGLKPSJYZFFV-UHFFFAOYSA-N 0 0 456.325 4.522 20 0 JJADRN C/C=C/C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 ZINC001454411430 1066280262 /nfs/dbraw/zinc/28/02/62/1066280262.db2.gz MFKRPNNCAHMCAB-PXPVJAHISA-N 0 0 452.551 4.540 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC001443211430 1066280241 /nfs/dbraw/zinc/28/02/41/1066280241.db2.gz CSWUOZFOOABYBF-INIZCTEOSA-N 0 0 453.514 4.670 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC001443214921 1066280793 /nfs/dbraw/zinc/28/07/93/1066280793.db2.gz LDPMOUMFUWFWJK-IRYIGKPUSA-N 0 0 454.498 4.677 20 0 JJADRN O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)c1sc2cc(F)ccc2c1Cl ZINC001454413003 1066280829 /nfs/dbraw/zinc/28/08/29/1066280829.db2.gz OEQLINYATRVBIK-UHFFFAOYSA-N 0 0 452.696 4.889 20 0 JJADRN CCCOc1ccc(C(=O)NCC(=O)c2ccc(Br)c(F)c2)c(OCCC)c1 ZINC001454425848 1066281558 /nfs/dbraw/zinc/28/15/58/1066281558.db2.gz PGMCPKQNBABNMY-UHFFFAOYSA-N 0 0 452.320 4.779 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC(F)(F)F)c2ccccc2n1 ZINC001361049401 1066281918 /nfs/dbraw/zinc/28/19/18/1066281918.db2.gz CGQYTKLVMQJIEO-UHFFFAOYSA-N 0 0 488.558 4.885 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 ZINC001546061598 1066282250 /nfs/dbraw/zinc/28/22/50/1066282250.db2.gz CEAMZWXZWHVOGW-AMDXRBSFSA-N 0 0 474.049 4.836 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)C1 ZINC001546061602 1066282295 /nfs/dbraw/zinc/28/22/95/1066282295.db2.gz CEVZLSRDUNLZPW-HJPURHCSSA-N 0 0 458.607 4.976 20 0 JJADRN Cc1cc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCOCCC(C)C)c2ccccc2n1 ZINC001361049640 1066282478 /nfs/dbraw/zinc/28/24/78/1066282478.db2.gz LIHWOESHIHPSDF-UHFFFAOYSA-N 0 0 492.668 4.559 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC(C)C)c2ccccc2n1 ZINC001361049506 1066282721 /nfs/dbraw/zinc/28/27/21/1066282721.db2.gz GMFLZAPIQDGXJV-FQEVSTJZSA-N 0 0 462.642 4.836 20 0 JJADRN CCn1c(CCNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 ZINC001443228470 1066282860 /nfs/dbraw/zinc/28/28/60/1066282860.db2.gz WJVMPOAQCLDAAR-FDDCHVKYSA-N 0 0 450.583 4.617 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)OC ZINC001545955658 1066282906 /nfs/dbraw/zinc/28/29/06/1066282906.db2.gz ZBTOGIOVQRRKLQ-FGZHOGPDSA-N 0 0 457.022 4.936 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3cc(Cl)ccc3s2)C1 ZINC001546061693 1066282981 /nfs/dbraw/zinc/28/29/81/1066282981.db2.gz DQOLKAODUHUZRQ-QRQCRPRQSA-N 0 0 464.035 4.940 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)c1ccc(I)cc1 ZINC001454449795 1066283643 /nfs/dbraw/zinc/28/36/43/1066283643.db2.gz KZIGADMWXNBUMZ-GDBMZVCRSA-N 0 0 459.331 4.677 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC001454448135 1066283687 /nfs/dbraw/zinc/28/36/87/1066283687.db2.gz CXQATDOAXUFMDI-UHFFFAOYSA-N 0 0 458.787 4.917 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC001443242066 1066283750 /nfs/dbraw/zinc/28/37/50/1066283750.db2.gz PTAVUSCVYXTBFZ-UHFFFAOYSA-N 0 0 455.946 4.949 20 0 JJADRN Cc1cn(C(C)(C)C(=O)NCCCCc2nc(-c3cccnc3)cs2)nc1C(F)(F)F ZINC001443248649 1066284138 /nfs/dbraw/zinc/28/41/38/1066284138.db2.gz DMDZVFBYSHEPQX-UHFFFAOYSA-N 0 0 451.518 4.603 20 0 JJADRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCCCc1ccc(C(C)(C)C)cc1)CCC2 ZINC001361050334 1066284251 /nfs/dbraw/zinc/28/42/51/1066284251.db2.gz MYDHVTLNYKPHPN-UHFFFAOYSA-N 0 0 456.652 4.927 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC001454457628 1066284464 /nfs/dbraw/zinc/28/44/64/1066284464.db2.gz WLYKFFMEYZMFCH-QINSGFPZSA-N 0 0 454.876 4.692 20 0 JJADRN CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 ZINC001443257845 1066284833 /nfs/dbraw/zinc/28/48/33/1066284833.db2.gz CWUREZSPPBBYKL-UHFFFAOYSA-N 0 0 450.804 4.558 20 0 JJADRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(F)cc(Br)c1F ZINC001443256154 1066284988 /nfs/dbraw/zinc/28/49/88/1066284988.db2.gz VUWRBDRGXMPLHJ-UHFFFAOYSA-N 0 0 452.324 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C(C)(C)[C@@H]21 ZINC001454459582 1066285117 /nfs/dbraw/zinc/28/51/17/1066285117.db2.gz GWZZURMSHLWABP-NSISKUIASA-N 0 0 458.990 4.884 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)oc1C ZINC001443254655 1066285174 /nfs/dbraw/zinc/28/51/74/1066285174.db2.gz PFQINCPYFKGGSJ-QHCPKHFHSA-N 0 0 457.546 4.747 20 0 JJADRN CC(C)c1ccc(SCC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 ZINC001454464540 1066285825 /nfs/dbraw/zinc/28/58/25/1066285825.db2.gz DKDHSMMFFYLHNB-UHFFFAOYSA-N 0 0 450.526 4.792 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)c2c1 ZINC001454462202 1066285923 /nfs/dbraw/zinc/28/59/23/1066285923.db2.gz JWKRNFGIVSTMNM-LVXYXVKQSA-N 0 0 457.546 4.542 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnn(-c2cccc(Br)c2)c1 ZINC001361050954 1066285906 /nfs/dbraw/zinc/28/59/06/1066285906.db2.gz GRSDERFDACWPLZ-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051026 1066285954 /nfs/dbraw/zinc/28/59/54/1066285954.db2.gz IBSSMKVUOLWZPM-RUZDIDTESA-N 0 0 455.551 4.602 20 0 JJADRN CCc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cnn1-c1ccccc1 ZINC001454465401 1066286414 /nfs/dbraw/zinc/28/64/14/1066286414.db2.gz MEBUVVJAZKKRBN-BWAGFHJFSA-N 0 0 452.599 4.589 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(I)ccc1O ZINC001443266233 1066287061 /nfs/dbraw/zinc/28/70/61/1066287061.db2.gz QQOHTBDONQFFCC-UHFFFAOYSA-N 0 0 458.299 4.543 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)Cc1ccc(I)cc1 ZINC001443267583 1066287785 /nfs/dbraw/zinc/28/77/85/1066287785.db2.gz UIECLEXWCCXMQP-UHFFFAOYSA-N 0 0 456.327 4.766 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC ZINC001545956346 1066287825 /nfs/dbraw/zinc/28/78/25/1066287825.db2.gz AQGJTPZEVAWDSS-HOCLYGCPSA-N 0 0 461.326 4.911 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H]1C ZINC001361052659 1066287941 /nfs/dbraw/zinc/28/79/41/1066287941.db2.gz MCZNNPLUURUUSD-QZMQVMSPSA-N 0 0 455.965 4.851 20 0 JJADRN CCc1ccc(C2CCN(C(=O)c3ccc4ncc(I)n4c3)CC2)cc1 ZINC001454469604 1066287905 /nfs/dbraw/zinc/28/79/05/1066287905.db2.gz IQYZWHVWKACXCA-UHFFFAOYSA-N 0 0 459.331 4.521 20 0 JJADRN CCn1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(-c2ccccc2)n1 ZINC001454470447 1066287955 /nfs/dbraw/zinc/28/79/55/1066287955.db2.gz PMIIQZLPLOUOAG-QIJUGHKUSA-N 0 0 452.599 4.724 20 0 JJADRN CCn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1-c1ccccc1 ZINC001454471869 1066288029 /nfs/dbraw/zinc/28/80/29/1066288029.db2.gz QBFJZWJWWWWQKL-BWAGFHJFSA-N 0 0 452.599 4.724 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001454469361 1066288084 /nfs/dbraw/zinc/28/80/84/1066288084.db2.gz RCPZGMUTHOUKPQ-GOSISDBHSA-N 0 0 454.412 4.844 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CCCN2c2ncnc3ccccc32)c1 ZINC001443275446 1066288531 /nfs/dbraw/zinc/28/85/31/1066288531.db2.gz YSKSDDLEDXDVRO-HXUWFJFHSA-N 0 0 451.502 4.723 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)cc1F ZINC001454472669 1066288551 /nfs/dbraw/zinc/28/85/51/1066288551.db2.gz ZQRIDBZLLVZZDJ-GDBMZVCRSA-N 0 0 451.325 4.510 20 0 JJADRN CCn1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1-c1ccccc1 ZINC001454471891 1066288569 /nfs/dbraw/zinc/28/85/69/1066288569.db2.gz QBFJZWJWWWWQKL-STZQEDGTSA-N 0 0 452.599 4.724 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001443270424 1066288593 /nfs/dbraw/zinc/28/85/93/1066288593.db2.gz ORAPFIUPILTZKR-QGZVFWFLSA-N 0 0 456.771 4.776 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2c[nH]nc2C)no1 ZINC001361053428 1066288970 /nfs/dbraw/zinc/28/89/70/1066288970.db2.gz IOIGCCMYUMEOQS-QGZVFWFLSA-N 0 0 469.977 4.669 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)CCOCC2)cc1 ZINC001454475773 1066288880 /nfs/dbraw/zinc/28/88/80/1066288880.db2.gz TYGBJPMDTKFUGF-YPAWHYETSA-N 0 0 456.627 4.584 20 0 JJADRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)cc3)c2)s1 ZINC001443280053 1066289258 /nfs/dbraw/zinc/28/92/58/1066289258.db2.gz JQJLVCUCFBUKQZ-HNNXBMFYSA-N 0 0 450.010 4.987 20 0 JJADRN CCOc1ccc(CCCC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1OCC ZINC001443289599 1066289790 /nfs/dbraw/zinc/28/97/90/1066289790.db2.gz PNGAGCHTDDUAHH-HSZRJFAPSA-N 0 0 459.590 4.937 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC001443287977 1066289999 /nfs/dbraw/zinc/28/99/99/1066289999.db2.gz GFZNXTFSZWGUAY-UHFFFAOYSA-N 0 0 452.580 4.592 20 0 JJADRN CCOc1ccc(CCCC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1OCC ZINC001443289606 1066290564 /nfs/dbraw/zinc/29/05/64/1066290564.db2.gz PNGAGCHTDDUAHH-QHCPKHFHSA-N 0 0 459.590 4.937 20 0 JJADRN O=C(c1cc(OCc2ccccc2)ccc1O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454487879 1066291209 /nfs/dbraw/zinc/29/12/09/1066291209.db2.gz BYFNFMUTHIPDAE-DHIUTWEWSA-N 0 0 468.347 4.682 20 0 JJADRN CCCn1c(C)c(C(=O)N2CCC([C@@H](O)c3cccc(OC)c3)CC2)c2cc(OC)ccc21 ZINC001454488382 1066291310 /nfs/dbraw/zinc/29/13/10/1066291310.db2.gz LHZYMCROWSQFLE-AREMUKBSSA-N 0 0 450.579 4.963 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC(F)(F)Br)no1 ZINC001361054773 1066291301 /nfs/dbraw/zinc/29/13/01/1066291301.db2.gz FMPCPAIMKGUYRP-UHFFFAOYSA-N 0 0 491.134 4.628 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCOCC2CC2)c1 ZINC001361054831 1066291421 /nfs/dbraw/zinc/29/14/21/1066291421.db2.gz HWQBKNDUNBZVSX-UHFFFAOYSA-N 0 0 472.431 4.808 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)cc2)no1 ZINC001361054896 1066292175 /nfs/dbraw/zinc/29/21/75/1066292175.db2.gz JVBRTTQOTYFICF-UHFFFAOYSA-N 0 0 461.751 4.670 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCC[C@@H]2CCCCO2)no1 ZINC001361054931 1066292235 /nfs/dbraw/zinc/29/22/35/1066292235.db2.gz LGSYBSYCMNLTKC-FQEVSTJZSA-N 0 0 474.403 4.990 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001443301160 1066292291 /nfs/dbraw/zinc/29/22/91/1066292291.db2.gz FQEQBBMLXKGSAG-LBPRGKRZSA-N 0 0 451.283 4.904 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001546062166 1066292614 /nfs/dbraw/zinc/29/26/14/1066292614.db2.gz LXMYVKULPNUUSU-JPYJTQIMSA-N 0 0 495.089 4.892 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC[C@@H](F)C2)no1 ZINC001361055003 1066292687 /nfs/dbraw/zinc/29/26/87/1066292687.db2.gz OKMSCVDDCKNSJD-ZIAGYGMSSA-N 0 0 466.330 4.918 20 0 JJADRN CCCN(C)c1ccccc1NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001454491938 1066292752 /nfs/dbraw/zinc/29/27/52/1066292752.db2.gz SVMPESDPEPEGSZ-UHFFFAOYSA-N 0 0 450.608 4.674 20 0 JJADRN CCc1cc2c(CC(=O)N3CCN(c4ccc(Br)cn4)CC3)csc2s1 ZINC001443307294 1066292905 /nfs/dbraw/zinc/29/29/05/1066292905.db2.gz VKYIFCYXSBWSJO-UHFFFAOYSA-N 0 0 450.427 4.574 20 0 JJADRN COc1ccc(OC)c(CC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1 ZINC001443304263 1066293046 /nfs/dbraw/zinc/29/30/46/1066293046.db2.gz OSERZLUQEMMRTA-UHFFFAOYSA-N 0 0 459.546 4.784 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 ZINC001443304176 1066293146 /nfs/dbraw/zinc/29/31/46/1066293146.db2.gz NYZQSQVUMAPACU-IBGZPJMESA-N 0 0 457.958 4.563 20 0 JJADRN COc1cccc([C@H](O)C2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)c1 ZINC001454498000 1066293091 /nfs/dbraw/zinc/29/30/91/1066293091.db2.gz MTXKQLQQLCWJSQ-OAQYLSRUSA-N 0 0 452.776 4.626 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccn3c2nc(C)cc3C)c2ccc(OC)cc2)n1 ZINC001361055119 1066293114 /nfs/dbraw/zinc/29/31/14/1066293114.db2.gz AGOVUWPGNQADCJ-UHFFFAOYSA-N 0 0 450.520 4.571 20 0 JJADRN Cn1cnc2c1nccc2C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC001443309859 1066293543 /nfs/dbraw/zinc/29/35/43/1066293543.db2.gz FOSJDPZRRXBRMX-UHFFFAOYSA-N 0 0 452.967 4.723 20 0 JJADRN COc1cccc2c1OC[C@H](NC(=O)c1cc3cc(NC(=O)OC(C)(C)C)ccc3s1)C2 ZINC001443308811 1066293652 /nfs/dbraw/zinc/29/36/52/1066293652.db2.gz DSQAAKFHSUZUGR-QGZVFWFLSA-N 0 0 454.548 4.990 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1-n1ccnc1 ZINC001443310805 1066293728 /nfs/dbraw/zinc/29/37/28/1066293728.db2.gz ILFJERFFEFICDR-JPYJTQIMSA-N 0 0 454.933 4.910 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C)c3)n2Cc2cccnc2OCC(F)F)o1 ZINC001361055614 1066294375 /nfs/dbraw/zinc/29/43/75/1066294375.db2.gz ZYOXTWQQZTXTCT-UHFFFAOYSA-N 0 0 453.493 4.879 20 0 JJADRN CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(SC(F)(F)F)c3)cc(C(C)C)nc21 ZINC001454505318 1066294450 /nfs/dbraw/zinc/29/44/50/1066294450.db2.gz MWAQWTYEYNQPOA-UHFFFAOYSA-N 0 0 452.458 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1CCCC12CC2)c1ccc(Br)cc1 ZINC001454507004 1066294469 /nfs/dbraw/zinc/29/44/69/1066294469.db2.gz YDGFWGJXGRXOME-IERDGZPVSA-N 0 0 451.405 4.886 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)OC ZINC001545956893 1066294675 /nfs/dbraw/zinc/29/46/75/1066294675.db2.gz KRNDLFQAJMRWIS-YVWKXTFCSA-N 0 0 472.431 4.854 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCc2ccc(Br)c(F)c2F)CCC1 ZINC001454514336 1066295092 /nfs/dbraw/zinc/29/50/92/1066295092.db2.gz ODCSQFNNDHGNCC-UHFFFAOYSA-N 0 0 459.331 4.666 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CC)Oc1ccccc1F ZINC001545956933 1066295188 /nfs/dbraw/zinc/29/51/88/1066295188.db2.gz LLBGCXXMRLFAPO-MRXNPFEDSA-N 0 0 464.383 4.889 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)c2ccc(OC)cc2)C1 ZINC001546062674 1066295928 /nfs/dbraw/zinc/29/59/28/1066295928.db2.gz VIBCSMIDJNZDFW-SIBVEZHUSA-N 0 0 462.598 4.754 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001361056526 1066296338 /nfs/dbraw/zinc/29/63/38/1066296338.db2.gz SVMRKMCLEGUGFK-UHFFFAOYSA-N 0 0 468.483 4.669 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)(C)C)C1 ZINC001546062749 1066296378 /nfs/dbraw/zinc/29/63/78/1066296378.db2.gz WMCDTCOKZGPJDR-IBVKSMDESA-N 0 0 455.647 4.966 20 0 JJADRN CC[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)Cc1cnn(C)c1)OC ZINC001545957098 1066296538 /nfs/dbraw/zinc/29/65/38/1066296538.db2.gz OYPMBJGWUJZTBY-FQEVSTJZSA-N 0 0 465.627 4.562 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cccc(C)n2)C1 ZINC001546062751 1066296703 /nfs/dbraw/zinc/29/67/03/1066296703.db2.gz WNHFAAJXHITARM-AREMUKBSSA-N 0 0 481.044 4.824 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)(C)C)C1 ZINC001546062748 1066296731 /nfs/dbraw/zinc/29/67/31/1066296731.db2.gz WMCDTCOKZGPJDR-FQRUVTKNSA-N 0 0 455.647 4.966 20 0 JJADRN CCON(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](C)c1cccc(Br)c1 ZINC001454537803 1066297263 /nfs/dbraw/zinc/29/72/63/1066297263.db2.gz GYGJRZAMJZLQBK-CAZWYBIWSA-N 0 0 451.405 4.717 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(N(C)C(C)C)c4)cc3C2=O)cc1 ZINC001443339175 1066296985 /nfs/dbraw/zinc/29/69/85/1066296985.db2.gz UKXARLPUKMYGRF-UHFFFAOYSA-N 0 0 457.530 4.983 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3nccc4c(Br)cccc43)ccc2NC1=O ZINC001361057099 1066297752 /nfs/dbraw/zinc/29/77/52/1066297752.db2.gz IXXCEHZIPZHILP-KZULUSFZSA-N 0 0 454.324 4.598 20 0 JJADRN CCON(C(=O)c1cc(Br)c(=O)[nH]c1C)[C@H](C)c1cccc(Br)c1 ZINC001454543553 1066298510 /nfs/dbraw/zinc/29/85/10/1066298510.db2.gz RVMHPSKUOLGFCQ-LLVKDONJSA-N 0 0 458.150 4.776 20 0 JJADRN COC(=O)CC[C@H](NC(=O)CSc1nccn1-c1cccc(Cl)c1C)c1ccccc1 ZINC001443352523 1066298378 /nfs/dbraw/zinc/29/83/78/1066298378.db2.gz DPLZNDGUCGCDLJ-IBGZPJMESA-N 0 0 457.983 4.737 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)OC ZINC001545957295 1066298558 /nfs/dbraw/zinc/29/85/58/1066298558.db2.gz STVCIRGWBTXRGU-ZDUSSCGKSA-N 0 0 470.774 4.890 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3nc4ccccc4cc3Br)ccc2NC1=O ZINC001361057871 1066298371 /nfs/dbraw/zinc/29/83/71/1066298371.db2.gz UUEOHHBIRLEWBR-KPZWWZAWSA-N 0 0 454.324 4.598 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361057951 1066298507 /nfs/dbraw/zinc/29/85/07/1066298507.db2.gz RPVVHJVMANRNFM-IBGZPJMESA-N 0 0 450.587 4.540 20 0 JJADRN CCON(C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2)[C@H](C)c1cccc(Br)c1 ZINC001454545705 1066298960 /nfs/dbraw/zinc/29/89/60/1066298960.db2.gz YXIHAKLBTOEESW-SNVBAGLBSA-N 0 0 457.250 4.894 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001443355488 1066299323 /nfs/dbraw/zinc/29/93/23/1066299323.db2.gz AEJJPTPQEKABPJ-UHFFFAOYSA-N 0 0 452.555 4.793 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CN1C(=O)OC(C)(C)C ZINC001454547501 1066299607 /nfs/dbraw/zinc/29/96/07/1066299607.db2.gz HZBYAYAKHKATBO-PBHICJAKSA-N 0 0 450.004 4.905 20 0 JJADRN C[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1ccncc1 ZINC001454549998 1066299795 /nfs/dbraw/zinc/29/97/95/1066299795.db2.gz TXHWFGQQASFOQU-CQSZACIVSA-N 0 0 456.315 4.769 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)no1 ZINC001361060680 1066300202 /nfs/dbraw/zinc/30/02/02/1066300202.db2.gz RWKVOZNUMZSYAL-NRFANRHFSA-N 0 0 480.613 4.682 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357458 1066300410 /nfs/dbraw/zinc/30/04/10/1066300410.db2.gz OJTDKHSNFRZRKG-SFTDATJTSA-N 0 0 450.023 4.504 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361060854 1066300587 /nfs/dbraw/zinc/30/05/87/1066300587.db2.gz XGYKTORKBCSYHX-QGZVFWFLSA-N 0 0 465.545 4.835 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C(C)C)c1 ZINC001361060848 1066300635 /nfs/dbraw/zinc/30/06/35/1066300635.db2.gz XFIXZPRLCKWCTC-WXVAWEFUSA-N 0 0 485.673 4.744 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCC(Cc2nccs2)CC1 ZINC001454554749 1066300560 /nfs/dbraw/zinc/30/05/60/1066300560.db2.gz KGUVPBCBRPGUGD-UHFFFAOYSA-N 0 0 454.979 4.888 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)cc1OC ZINC001443357011 1066300632 /nfs/dbraw/zinc/30/06/32/1066300632.db2.gz JLQUCOUKZSUZJD-UHFFFAOYSA-N 0 0 454.567 4.709 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)CN(Cc3cccnc3)c3ccccc3)n2)cc1 ZINC001443358233 1066301040 /nfs/dbraw/zinc/30/10/40/1066301040.db2.gz PILLRCUYCOLGBT-UHFFFAOYSA-N 0 0 457.559 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCc3c(cccc3C(F)(F)F)C2)COC1(C)C ZINC001454562410 1066301097 /nfs/dbraw/zinc/30/10/97/1066301097.db2.gz UOHLRBVSUFSTQF-MRXNPFEDSA-N 0 0 456.505 4.742 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 ZINC001454570798 1066301629 /nfs/dbraw/zinc/30/16/29/1066301629.db2.gz CTHPIGVHCZEQHE-MRXNPFEDSA-N 0 0 451.539 4.550 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001546063237 1066301920 /nfs/dbraw/zinc/30/19/20/1066301920.db2.gz KDDWCJAELDZLBU-UHFFFAOYSA-N 0 0 457.537 4.685 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2CCc2csc(C(C)(C)C)n2)no1 ZINC001361063356 1066302122 /nfs/dbraw/zinc/30/21/22/1066302122.db2.gz IRMPFKCKQAVUTQ-UHFFFAOYSA-N 0 0 471.656 4.563 20 0 JJADRN CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001454571696 1066302505 /nfs/dbraw/zinc/30/25/05/1066302505.db2.gz RCQXYINIEZKNFG-QZTJIDSGSA-N 0 0 451.350 4.621 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001454571765 1066302593 /nfs/dbraw/zinc/30/25/93/1066302593.db2.gz MWTMQCZSTCMYPD-CTYIDZIISA-N 0 0 457.434 4.984 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCSC2)no1 ZINC001361064319 1066303361 /nfs/dbraw/zinc/30/33/61/1066303361.db2.gz AAVNYMCCPVBWEW-INIZCTEOSA-N 0 0 492.443 4.696 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2Cc2cc(COC(C)(C)C)on2)no1 ZINC001361064206 1066303456 /nfs/dbraw/zinc/30/34/56/1066303456.db2.gz YQVCBJBXWNQRGE-UHFFFAOYSA-N 0 0 484.988 4.807 20 0 JJADRN CN(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1c(F)cccc1Cl ZINC001454577063 1066303810 /nfs/dbraw/zinc/30/38/10/1066303810.db2.gz HOIWJESSVAFQIK-BEFAXECRSA-N 0 0 456.002 4.624 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1ccc(OC)cc1C(=O)OC)OCC3 ZINC001443385196 1066303819 /nfs/dbraw/zinc/30/38/19/1066303819.db2.gz JANWZTYNJZOEOW-AREMUKBSSA-N 0 0 450.535 4.732 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS2)no1 ZINC001361064904 1066304102 /nfs/dbraw/zinc/30/41/02/1066304102.db2.gz XCJJAESFTBEIMR-NRFANRHFSA-N 0 0 455.628 4.983 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC[C@H](C)C2)no1 ZINC001361064949 1066304137 /nfs/dbraw/zinc/30/41/37/1066304137.db2.gz YPAVMVKAYGRANH-DOTOQJQBSA-N 0 0 474.403 4.989 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC001443382891 1066304192 /nfs/dbraw/zinc/30/41/92/1066304192.db2.gz LTWJLJMMYCUJQJ-UHFFFAOYSA-N 0 0 453.739 4.538 20 0 JJADRN CCc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC001454578638 1066304268 /nfs/dbraw/zinc/30/42/68/1066304268.db2.gz LKDZVLLLNHOXSO-SFHVURJKSA-N 0 0 458.578 4.729 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)C1 ZINC001443387920 1066304638 /nfs/dbraw/zinc/30/46/38/1066304638.db2.gz QGWMIGJEWDMSSY-QZTJIDSGSA-N 0 0 455.603 4.571 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001443388723 1066305018 /nfs/dbraw/zinc/30/50/18/1066305018.db2.gz NNZCUJNYLSDBCK-OAQYLSRUSA-N 0 0 453.325 4.760 20 0 JJADRN C[C@H](C(=O)Nc1cc(Br)ccc1Sc1nncn1C)c1ccc(F)c(F)c1 ZINC001361065800 1066305350 /nfs/dbraw/zinc/30/53/50/1066305350.db2.gz GNGMIRJQEGACPB-JTQLQIEISA-N 0 0 453.312 4.749 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001454586301 1066305453 /nfs/dbraw/zinc/30/54/53/1066305453.db2.gz IKEXUAWDCKURQT-GOEBONIOSA-N 0 0 450.004 4.885 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001454588431 1066305509 /nfs/dbraw/zinc/30/55/09/1066305509.db2.gz ABYRZFBJJCDXMV-UHFFFAOYSA-N 0 0 458.990 4.555 20 0 JJADRN COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)C2 ZINC001443391973 1066305687 /nfs/dbraw/zinc/30/56/87/1066305687.db2.gz SRIZSKBFNMEXGK-PXLWIWKVSA-N 0 0 452.982 4.718 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001454590649 1066305937 /nfs/dbraw/zinc/30/59/37/1066305937.db2.gz VGMWHPKBVNYWNG-VQIMIIECSA-N 0 0 459.587 4.502 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccccn2)no1 ZINC001361066663 1066306264 /nfs/dbraw/zinc/30/62/64/1066306264.db2.gz NSKYENNEZOBGKA-UHFFFAOYSA-N 0 0 473.364 4.734 20 0 JJADRN CN(C)C(=O)NCCc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC001454592732 1066306754 /nfs/dbraw/zinc/30/67/54/1066306754.db2.gz HKNKBGSEEPWGHM-UHFFFAOYSA-N 0 0 451.954 4.985 20 0 JJADRN COc1ccccc1C(C)(C)NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001443409880 1066307204 /nfs/dbraw/zinc/30/72/04/1066307204.db2.gz CLLPSCKPCMWKPT-UHFFFAOYSA-N 0 0 459.612 4.931 20 0 JJADRN C[C@H](C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001443407650 1066307336 /nfs/dbraw/zinc/30/73/36/1066307336.db2.gz MMYXNWWSNZHVLI-KRWDZBQOSA-N 0 0 454.617 4.723 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC001443411936 1066307749 /nfs/dbraw/zinc/30/77/49/1066307749.db2.gz WJWFQLRNZVSKMQ-UHFFFAOYSA-N 0 0 454.617 4.689 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)C12CCCCC2 ZINC001361067784 1066307923 /nfs/dbraw/zinc/30/79/23/1066307923.db2.gz BXUBOKUTVBZPHU-RTWAWAEBSA-N 0 0 456.656 4.952 20 0 JJADRN Cc1cccc(C)c1OCCC(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600028 1066308087 /nfs/dbraw/zinc/30/80/87/1066308087.db2.gz KERHJRAXJNWDET-UHFFFAOYSA-N 0 0 458.602 4.996 20 0 JJADRN Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001454600078 1066308117 /nfs/dbraw/zinc/30/81/17/1066308117.db2.gz ZFSGOMSYTNAIHX-UHFFFAOYSA-N 0 0 459.247 4.648 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1Br ZINC001454597972 1066308220 /nfs/dbraw/zinc/30/82/20/1066308220.db2.gz LPQUQOCSOMZXFB-UHFFFAOYSA-N 0 0 459.247 4.648 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545958321 1066308296 /nfs/dbraw/zinc/30/82/96/1066308296.db2.gz AWMIECVYTYTSGW-YQVWRLOYSA-N 0 0 477.556 4.839 20 0 JJADRN CCCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001361068424 1066308408 /nfs/dbraw/zinc/30/84/08/1066308408.db2.gz KWOWLGSVAJNSHK-RTWAWAEBSA-N 0 0 456.048 4.870 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001454603654 1066308636 /nfs/dbraw/zinc/30/86/36/1066308636.db2.gz KYDLDKWSQPCLIH-QMMMGPOBSA-N 0 0 457.289 4.547 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnc(C(C)C)nc2)no1 ZINC001361070155 1066309440 /nfs/dbraw/zinc/30/94/40/1066309440.db2.gz DOPPJDVMKMKRKG-HXUWFJFHSA-N 0 0 475.597 4.929 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1)OC ZINC001545958386 1066309428 /nfs/dbraw/zinc/30/94/28/1066309428.db2.gz BULHGNYTNGPPIE-RTBURBONSA-N 0 0 470.570 4.639 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H](O)CCc2ccccc2)c2ccccc2)cc1Br ZINC001443418768 1066309664 /nfs/dbraw/zinc/30/96/64/1066309664.db2.gz WLVKPTYZJLWVQO-JTHBVZDNSA-N 0 0 454.364 4.657 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001546063743 1066309535 /nfs/dbraw/zinc/30/95/35/1066309535.db2.gz BNQKCHKHLDWBLH-JOCHJYFZSA-N 0 0 472.435 4.729 20 0 JJADRN CCCCCOc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 ZINC001454614224 1066309728 /nfs/dbraw/zinc/30/97/28/1066309728.db2.gz VUHRNBZXFGPSLO-UHFFFAOYSA-N 0 0 459.384 4.503 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC=C(Br)C2)no1 ZINC001361070467 1066309773 /nfs/dbraw/zinc/30/97/73/1066309773.db2.gz MYYQBQZKLBPCHN-CQSZACIVSA-N 0 0 478.778 4.905 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)ccc1F ZINC001361070377 1066309863 /nfs/dbraw/zinc/30/98/63/1066309863.db2.gz KSEUJUCYKGTLJM-UHFFFAOYSA-N 0 0 462.367 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)C[C@H]3CCc4sccc4C3=O)ccc2C1 ZINC001454608656 1066309868 /nfs/dbraw/zinc/30/98/68/1066309868.db2.gz CRRRNXHTGMMVBA-OAHLLOKOSA-N 0 0 456.564 4.652 20 0 JJADRN CC(C)Cc1cccc([C@@H](C)C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)c1 ZINC001454608738 1066309994 /nfs/dbraw/zinc/30/99/94/1066309994.db2.gz OEOAPEAEQCVTNH-GOSISDBHSA-N 0 0 457.412 4.622 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545958425 1066309940 /nfs/dbraw/zinc/30/99/40/1066309940.db2.gz CQPPOVZOXIBSTL-INIZCTEOSA-N 0 0 463.916 4.583 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC)Oc1cccc(F)c1 ZINC001545958418 1066310032 /nfs/dbraw/zinc/31/00/32/1066310032.db2.gz CNDMITORCIUQOP-MRXNPFEDSA-N 0 0 450.356 4.879 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCCO2)ccc1F ZINC001361070519 1066309933 /nfs/dbraw/zinc/30/99/33/1066309933.db2.gz OAACMZOTGXZHRQ-GOSISDBHSA-N 0 0 476.394 4.547 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC=C(Br)C2)no1 ZINC001361070466 1066309952 /nfs/dbraw/zinc/30/99/52/1066309952.db2.gz MYYQBQZKLBPCHN-AWEZNQCLSA-N 0 0 478.778 4.905 20 0 JJADRN CCN(CCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1)C(=O)OC(C)(C)C ZINC001443424598 1066310210 /nfs/dbraw/zinc/31/02/10/1066310210.db2.gz DPGKCOCPPRXESG-UHFFFAOYSA-N 0 0 450.583 4.721 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccc(Br)o2)no1 ZINC001361070770 1066310349 /nfs/dbraw/zinc/31/03/49/1066310349.db2.gz UKMLLNHXPOVCES-CQSZACIVSA-N 0 0 490.333 4.894 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)no1 ZINC001361070853 1066310501 /nfs/dbraw/zinc/31/05/01/1066310501.db2.gz WOHCZYLFWWLGGU-CQSZACIVSA-N 0 0 470.293 4.831 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2=O)C1 ZINC001546063903 1066310541 /nfs/dbraw/zinc/31/05/41/1066310541.db2.gz FRHUILZUEJSCKA-HSZRJFAPSA-N 0 0 474.447 4.737 20 0 JJADRN CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001454626932 1066311140 /nfs/dbraw/zinc/31/11/40/1066311140.db2.gz IQBBUALLMUOAKV-DEDYPNTBSA-N 0 0 454.452 4.884 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(Cl)=C(Cl)C2)cs1 ZINC001361071433 1066311295 /nfs/dbraw/zinc/31/12/95/1066311295.db2.gz KASZSSLQDXIHPK-UHFFFAOYSA-N 0 0 483.446 4.666 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)cs1 ZINC001361071211 1066311378 /nfs/dbraw/zinc/31/13/78/1066311378.db2.gz GESCQBYZWGLMIX-UHFFFAOYSA-N 0 0 456.921 4.910 20 0 JJADRN NC(=O)N[C@@H](CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccccc1 ZINC001454627230 1066311367 /nfs/dbraw/zinc/31/13/67/1066311367.db2.gz KPWZAHMHJDBWDA-SFHVURJKSA-N 0 0 457.456 4.507 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C[C@H]2CCOC2)cs1 ZINC001361071265 1066311586 /nfs/dbraw/zinc/31/15/86/1066311586.db2.gz HNWFCYVGVDLHHD-CQSZACIVSA-N 0 0 465.392 4.738 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CC(=O)OC(C)(C)C)cc1OCC ZINC001443443585 1066312040 /nfs/dbraw/zinc/31/20/40/1066312040.db2.gz AKVUDKNQRJQCRH-QGZVFWFLSA-N 0 0 455.551 4.565 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cs1 ZINC001361071674 1066312001 /nfs/dbraw/zinc/31/20/01/1066312001.db2.gz MSZCNYVVGGNETK-SFHVURJKSA-N 0 0 476.021 4.897 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(CCC(C)C)C2CC2)cs1 ZINC001361072095 1066312426 /nfs/dbraw/zinc/31/24/26/1066312426.db2.gz VMILZIYEVMKCNU-UHFFFAOYSA-N 0 0 458.653 4.782 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCNC(=O)C2CCC2)cs1 ZINC001361071947 1066312640 /nfs/dbraw/zinc/31/26/40/1066312640.db2.gz RMQREVSOCPOROR-UHFFFAOYSA-N 0 0 458.031 4.759 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CC1=O ZINC001443448503 1066312587 /nfs/dbraw/zinc/31/25/87/1066312587.db2.gz JUFQJCZBRZVTJY-AWEZNQCLSA-N 0 0 456.955 4.849 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@@H]2C)ccc1F ZINC001361071806 1066312698 /nfs/dbraw/zinc/31/26/98/1066312698.db2.gz PMTKNMZTZINFOT-AWEZNQCLSA-N 0 0 462.367 4.535 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCNC(=O)C(C)C)cs1 ZINC001361072170 1066312824 /nfs/dbraw/zinc/31/28/24/1066312824.db2.gz XUYGBJONGNFXRY-UHFFFAOYSA-N 0 0 453.656 4.869 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c(Cl)c1 ZINC001361072380 1066312895 /nfs/dbraw/zinc/31/28/95/1066312895.db2.gz ADXUFGOLTXGYIC-UHFFFAOYSA-N 0 0 450.351 4.782 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC001443454846 1066313678 /nfs/dbraw/zinc/31/36/78/1066313678.db2.gz UBRBUUJGWCQBDS-VWLOTQADSA-N 0 0 452.595 4.758 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC001454645055 1066313759 /nfs/dbraw/zinc/31/37/59/1066313759.db2.gz ICUUONMQGIWVGW-OAHLLOKOSA-N 0 0 456.302 4.767 20 0 JJADRN CC(C)COC[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccco1 ZINC001361073246 1066314053 /nfs/dbraw/zinc/31/40/53/1066314053.db2.gz DDHFFRXUTINNCH-INIZCTEOSA-N 0 0 451.292 4.980 20 0 JJADRN O=C(Cc1ccc(-n2ccnc2)cc1)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001443457406 1066313950 /nfs/dbraw/zinc/31/39/50/1066313950.db2.gz IGFGBRUGPWMIAU-OAQYLSRUSA-N 0 0 457.361 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[C@H](c3ccccc3)c3ccccc32)C1 ZINC001454650447 1066314095 /nfs/dbraw/zinc/31/40/95/1066314095.db2.gz NLKFRSRJBJEPKR-ZBLYBZFDSA-N 0 0 450.579 4.707 20 0 JJADRN O=C(CCCc1ccccc1Br)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC001361073261 1066314113 /nfs/dbraw/zinc/31/41/13/1066314113.db2.gz DTQDWQVTXPHYLW-UHFFFAOYSA-N 0 0 452.352 4.736 20 0 JJADRN Cc1cc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1F ZINC001361073104 1066314294 /nfs/dbraw/zinc/31/42/94/1066314294.db2.gz CFPNINDVQCDLLT-AZUAARDMSA-N 0 0 480.588 4.575 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001454653763 1066315615 /nfs/dbraw/zinc/31/56/15/1066315615.db2.gz SXVJZFNIHJKCEL-NQIIRXRSSA-N 0 0 473.298 4.741 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001492597901 1066315602 /nfs/dbraw/zinc/31/56/02/1066315602.db2.gz HQHAIHXIKTZUHE-OALUTQOASA-N 0 0 467.580 4.715 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@H](C)[C@@H]2C)no1 ZINC001361074109 1066315730 /nfs/dbraw/zinc/31/57/30/1066315730.db2.gz XSXMTESJFSSFEB-QWHCGFSZSA-N 0 0 466.380 4.522 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)c3c(C)ccc(Br)c3C)c2)cn1 ZINC001361074305 1066315771 /nfs/dbraw/zinc/31/57/71/1066315771.db2.gz YDSIZSRIRDENQU-UHFFFAOYSA-N 0 0 454.324 4.974 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(OCC2CC2)CC1)OC ZINC001545959511 1066315786 /nfs/dbraw/zinc/31/57/86/1066315786.db2.gz XOHUKDIAKWYQDG-KRWDZBQOSA-N 0 0 481.410 4.667 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001454656082 1066316011 /nfs/dbraw/zinc/31/60/11/1066316011.db2.gz MHCXKVUGUZQTBB-MRXNPFEDSA-N 0 0 453.967 4.818 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc(Br)cc(N)c1N ZINC001454656586 1066316050 /nfs/dbraw/zinc/31/60/50/1066316050.db2.gz RAFOLVLFDUBESF-INIZCTEOSA-N 0 0 453.178 4.662 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cccc(OC)c3)cc2)o1 ZINC001361075460 1066316108 /nfs/dbraw/zinc/31/61/08/1066316108.db2.gz FEHDRLZIVTXEGE-HXUWFJFHSA-N 0 0 452.511 4.512 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21 ZINC001361075713 1066316151 /nfs/dbraw/zinc/31/61/51/1066316151.db2.gz MCCCLEYXZBXFSP-AREMUKBSSA-N 0 0 456.542 4.993 20 0 JJADRN CCSCC[C@H](C)N(C)C(=O)c1ccc(I)c(Br)c1 ZINC001361075297 1066316186 /nfs/dbraw/zinc/31/61/86/1066316186.db2.gz BMDLTZJLKYGGNU-JTQLQIEISA-N 0 0 456.187 4.657 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001361075289 1066316286 /nfs/dbraw/zinc/31/62/86/1066316286.db2.gz FMLJVTXUNUDUNS-HSZRJFAPSA-N 0 0 450.560 4.696 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2nc([C@@H](C)OCC(C)C)no2)ccc1F ZINC001361077302 1066316482 /nfs/dbraw/zinc/31/64/82/1066316482.db2.gz MWXBUIZOSWOEIH-NQIIRXRSSA-N 0 0 486.592 4.769 20 0 JJADRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC001454657006 1066316558 /nfs/dbraw/zinc/31/65/58/1066316558.db2.gz DHXZDYAAPNAALH-PXNSSMCTSA-N 0 0 453.384 4.776 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)c2ccc(-c3ccccc3)cc2)c1 ZINC001361076325 1066316710 /nfs/dbraw/zinc/31/67/10/1066316710.db2.gz ZCLBVZOSIPLLMO-UHFFFAOYSA-N 0 0 452.576 4.669 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C)OC ZINC001545959112 1066316728 /nfs/dbraw/zinc/31/67/28/1066316728.db2.gz PQUNHNCXPVIOMO-VNHYZAJKSA-N 0 0 457.413 4.602 20 0 JJADRN C[C@H]1CCc2nc(C(=O)N(Cc3ccccn3)Cc3ccc(Br)cc3F)cn2C1 ZINC001443482809 1066316758 /nfs/dbraw/zinc/31/67/58/1066316758.db2.gz VXMOLVCBGFDIEK-HNNXBMFYSA-N 0 0 457.347 4.605 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2F)no1 ZINC001361077435 1066317014 /nfs/dbraw/zinc/31/70/14/1066317014.db2.gz QAKHHBQHIOZLEM-IBGZPJMESA-N 0 0 484.576 4.513 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959194 1066317099 /nfs/dbraw/zinc/31/70/99/1066317099.db2.gz RIZDOBXVKOXPRU-OALUTQOASA-N 0 0 478.037 4.763 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CC(F)C2)cs1 ZINC001361077510 1066317191 /nfs/dbraw/zinc/31/71/91/1066317191.db2.gz RPZVLLWHRAVYNG-SYYJFZTOSA-N 0 0 477.650 4.995 20 0 JJADRN Cc1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H]2CC=CCC2)ccc1F ZINC001361078130 1066317766 /nfs/dbraw/zinc/31/77/66/1066317766.db2.gz MANODEPDGPBARG-OFNKIYASSA-N 0 0 499.631 4.875 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)[nH]c21 ZINC001443490847 1066317727 /nfs/dbraw/zinc/31/77/27/1066317727.db2.gz QUTIIJOBKZQRAZ-OAQYLSRUSA-N 0 0 450.377 4.662 20 0 JJADRN Cc1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccc2)cs1 ZINC001361078423 1066318242 /nfs/dbraw/zinc/31/82/42/1066318242.db2.gz SSJWALIZEDXGBE-NRFANRHFSA-N 0 0 483.638 4.641 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001546064271 1066318272 /nfs/dbraw/zinc/31/82/72/1066318272.db2.gz MHNKIXSMCIXODH-SVBPBHIXSA-N 0 0 498.672 4.523 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)c3cccc(F)c3)CC2)cs1 ZINC001361078813 1066318613 /nfs/dbraw/zinc/31/86/13/1066318613.db2.gz ZBGYKBYPMFLFLK-UHFFFAOYSA-N 0 0 469.630 4.777 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)cc1 ZINC001361079285 1066318730 /nfs/dbraw/zinc/31/87/30/1066318730.db2.gz UDZNWHMBSPFZFL-OAQYLSRUSA-N 0 0 458.624 4.902 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cs1 ZINC001361080250 1066318988 /nfs/dbraw/zinc/31/89/88/1066318988.db2.gz BBTZIWIKSWVDNA-UHFFFAOYSA-N 0 0 478.519 4.815 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1F ZINC001361080411 1066319145 /nfs/dbraw/zinc/31/91/45/1066319145.db2.gz HWXVSHGHZSXXDH-HXUWFJFHSA-N 0 0 485.629 4.777 20 0 JJADRN CC(C)(C)c1ccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(=O)[nH]1 ZINC001454686577 1066319252 /nfs/dbraw/zinc/31/92/52/1066319252.db2.gz JMFQAZNTSPHXHJ-UHFFFAOYSA-N 0 0 455.605 4.807 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080690 1066319500 /nfs/dbraw/zinc/31/95/00/1066319500.db2.gz SDHDWJOUKZEELB-DNVCBOLYSA-N 0 0 473.668 4.698 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n[nH]c1-c1ccc(Br)cc1 ZINC001443499138 1066319700 /nfs/dbraw/zinc/31/97/00/1066319700.db2.gz NARIWEHREGZKKX-MRXNPFEDSA-N 0 0 457.303 4.605 20 0 JJADRN Cc1cc(Cn2c(CC3CC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080935 1066319712 /nfs/dbraw/zinc/31/97/12/1066319712.db2.gz DNQHDHOYUVIKCG-FXAWDEMLSA-N 0 0 459.660 4.778 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(O)CCCC(C)(C)CC2)c1 ZINC001454689586 1066319689 /nfs/dbraw/zinc/31/96/89/1066319689.db2.gz KISRIUYJGQCLCC-VWLOTQADSA-N 0 0 458.624 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1 ZINC001443503047 1066320188 /nfs/dbraw/zinc/32/01/88/1066320188.db2.gz HKDAOEYPXJMLRV-YXMGTMDOSA-N 0 0 455.580 4.887 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(OCCC(C)C)CC2)cs1 ZINC001361081067 1066320169 /nfs/dbraw/zinc/32/01/69/1066320169.db2.gz HTCQNFZRXMBKHH-UHFFFAOYSA-N 0 0 487.695 4.719 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)s1 ZINC001361081079 1066320236 /nfs/dbraw/zinc/32/02/36/1066320236.db2.gz HZTFTYBYBCAOEQ-UHFFFAOYSA-N 0 0 457.650 4.694 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C2 ZINC001454693923 1066320339 /nfs/dbraw/zinc/32/03/39/1066320339.db2.gz PPJUFUMMJJXPAK-NVXWUHKLSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)Cc2scnc2C)no1 ZINC001361081613 1066320815 /nfs/dbraw/zinc/32/08/15/1066320815.db2.gz QJPWVIPNOOMAPT-UHFFFAOYSA-N 0 0 487.029 4.998 20 0 JJADRN Cc1cc(-c2csc(NC(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)n2)c(C)o1 ZINC001443507982 1066320845 /nfs/dbraw/zinc/32/08/45/1066320845.db2.gz JMZSSIOIJSCBAZ-AWEZNQCLSA-N 0 0 457.556 4.720 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1 ZINC001443509073 1066320881 /nfs/dbraw/zinc/32/08/81/1066320881.db2.gz XMKZZWNRUISJFQ-HXUWFJFHSA-N 0 0 451.548 4.950 20 0 JJADRN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3(c4cccc(F)c4)CCCC3)n2)cc1 ZINC001443508937 1066320896 /nfs/dbraw/zinc/32/08/96/1066320896.db2.gz VWJWMIWYACZSNP-UHFFFAOYSA-N 0 0 459.568 4.771 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545959367 1066321188 /nfs/dbraw/zinc/32/11/88/1066321188.db2.gz UZYNXZZKHXSWOA-APWZRJJASA-N 0 0 493.029 4.680 20 0 JJADRN CC1(C(=O)CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CCCC1 ZINC001454695666 1066321157 /nfs/dbraw/zinc/32/11/57/1066321157.db2.gz NFTQEHCHAPNUEC-UHFFFAOYSA-N 0 0 457.368 4.510 20 0 JJADRN CC(=O)NCc1ccc(-c2nc(NC(=O)c3c[nH]cc3Cc3ccccc3)sc2C)s1 ZINC001443510716 1066321286 /nfs/dbraw/zinc/32/12/86/1066321286.db2.gz SOJYGXQMRXGOFY-UHFFFAOYSA-N 0 0 450.589 4.987 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC001443512520 1066321428 /nfs/dbraw/zinc/32/14/28/1066321428.db2.gz CYJOKXJDBVDRKR-UHFFFAOYSA-N 0 0 454.401 4.537 20 0 JJADRN C[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)Oc1cccc(Cl)c1 ZINC001361083247 1066321671 /nfs/dbraw/zinc/32/16/71/1066321671.db2.gz SMXNYNZZVCFCCF-QRWLVFNGSA-N 0 0 450.938 4.671 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c2cccc(Cl)c2Cl)cc1 ZINC001454696424 1066321765 /nfs/dbraw/zinc/32/17/65/1066321765.db2.gz OGDRJWLVGJZVFQ-LJQANCHMSA-N 0 0 451.350 4.867 20 0 JJADRN COC(=O)[C@@]1(C)CN(C(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)C[C@@H]1C ZINC001454699174 1066322074 /nfs/dbraw/zinc/32/20/74/1066322074.db2.gz KUGZOCOYSXNHGR-GWLSYYLCSA-N 0 0 464.587 4.893 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)NCC(C)(C)NS(C)(=O)=O)CCC[C@]3(C)[C@@H]2CC1 ZINC001443520196 1066322151 /nfs/dbraw/zinc/32/21/51/1066322151.db2.gz QLJKGCZQSIPLKS-RRJCBXKSSA-N 0 0 450.689 4.566 20 0 JJADRN Cc1cc(Cn2c(N3CCC[C@@H](OC(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)ccc1F ZINC001361083958 1066322256 /nfs/dbraw/zinc/32/22/56/1066322256.db2.gz JVDZSCHYJSNCHY-RLWLMLJZSA-N 0 0 474.621 4.598 20 0 JJADRN Cc1cc(Cn2c(N3CCC[C@@H](OC(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccc1F ZINC001361083956 1066322272 /nfs/dbraw/zinc/32/22/72/1066322272.db2.gz JVDZSCHYJSNCHY-QFQXNSOFSA-N 0 0 474.621 4.598 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1F ZINC001361084373 1066322499 /nfs/dbraw/zinc/32/24/99/1066322499.db2.gz ORZHQWJFIPBLOM-WSTLGDPDSA-N 0 0 484.538 4.849 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC001443520720 1066322811 /nfs/dbraw/zinc/32/28/11/1066322811.db2.gz TWNBWQBNCCQGLT-IBGZPJMESA-N 0 0 450.583 4.736 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)no1 ZINC001361084308 1066322865 /nfs/dbraw/zinc/32/28/65/1066322865.db2.gz RCNOHWNJUOGZPT-OKILXGFUSA-N 0 0 451.905 4.583 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)n[nH]2)cc1OC ZINC001454708070 1066323210 /nfs/dbraw/zinc/32/32/10/1066323210.db2.gz MRTODWLSYQXCFU-AZUAARDMSA-N 0 0 478.549 4.727 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCO1)Oc1ccccc1F ZINC001545959608 1066323207 /nfs/dbraw/zinc/32/32/07/1066323207.db2.gz ZFNHCIZJVPTGPQ-IAGOWNOFSA-N 0 0 492.393 4.648 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cs1 ZINC001361084486 1066323329 /nfs/dbraw/zinc/32/33/29/1066323329.db2.gz TUUPELWQDUQIJX-FZKQIMNGSA-N 0 0 470.492 4.570 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454706883 1066323379 /nfs/dbraw/zinc/32/33/79/1066323379.db2.gz HCDMKZZLXTXMTC-ZRBLBEILSA-N 0 0 481.593 4.957 20 0 JJADRN CN(C)c1ccc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)cc1 ZINC001361085285 1066323999 /nfs/dbraw/zinc/32/39/99/1066323999.db2.gz ACGYFNVNMBMNLX-UHFFFAOYSA-N 0 0 458.381 4.524 20 0 JJADRN COC(=O)c1cc(NC(=O)c2sc3ccccc3c2Br)c(OC)c(OC)c1 ZINC001361085566 1066324215 /nfs/dbraw/zinc/32/42/15/1066324215.db2.gz OHSNRSRMIPXMTB-UHFFFAOYSA-N 0 0 450.310 4.720 20 0 JJADRN Cc1nc(CN2CCC(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)CC2)cs1 ZINC001454712527 1066324433 /nfs/dbraw/zinc/32/44/33/1066324433.db2.gz WRLTWEDEGNZRRP-FCHUYYIVSA-N 0 0 470.639 4.683 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CCN1C(=O)OC(C)(C)C ZINC001443531976 1066324541 /nfs/dbraw/zinc/32/45/41/1066324541.db2.gz OSTWZFVIXKLLJR-TZIWHRDSSA-N 0 0 454.615 4.514 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)s2)cc1OC ZINC001361085854 1066324689 /nfs/dbraw/zinc/32/46/89/1066324689.db2.gz HDFGEYFYXVAXJB-UHFFFAOYSA-N 0 0 451.548 4.624 20 0 JJADRN C[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Sc1ccc(Br)cc1 ZINC001443532783 1066324995 /nfs/dbraw/zinc/32/49/95/1066324995.db2.gz UIBQPTVTMIVHDT-DNVCBOLYSA-N 0 0 450.398 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCc1ccc(OCc3cccc(F)c3)cc1)CC2 ZINC001361087027 1066325207 /nfs/dbraw/zinc/32/52/07/1066325207.db2.gz ZMPQJQPNKAOMRX-UHFFFAOYSA-N 0 0 454.542 4.953 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1COCCO1 ZINC001361087228 1066325599 /nfs/dbraw/zinc/32/55/99/1066325599.db2.gz CNJNGCIKEQSHCN-FQUBMZHMSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1 ZINC001492598007 1066325740 /nfs/dbraw/zinc/32/57/40/1066325740.db2.gz FVDZEZVEIXBKHS-DENIHFKCSA-N 0 0 469.655 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)CCC(=O)c2ccc(F)cc2F)c2ccccc21 ZINC001454716210 1066325903 /nfs/dbraw/zinc/32/59/03/1066325903.db2.gz VNGOGUJSEDNSHA-INIZCTEOSA-N 0 0 458.505 4.973 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)c(OC(F)F)c1 ZINC001443534977 1066325837 /nfs/dbraw/zinc/32/58/37/1066325837.db2.gz VRDSNZCHLHAWSD-UHFFFAOYSA-N 0 0 450.438 4.603 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)C[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)o1 ZINC001443534549 1066325908 /nfs/dbraw/zinc/32/59/08/1066325908.db2.gz CHYSXSCWMWPHHM-WMZOPIPTSA-N 0 0 458.559 4.569 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2C)C1 ZINC001546064802 1066326310 /nfs/dbraw/zinc/32/63/10/1066326310.db2.gz WPIMQNHTJKXGAV-LPPUWEFUSA-N 0 0 456.631 4.721 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCCCC2)C1 ZINC001546064791 1066326387 /nfs/dbraw/zinc/32/63/87/1066326387.db2.gz WGBYYVRIVDVTKT-AHWVRZQESA-N 0 0 462.679 4.932 20 0 JJADRN CCOC(=O)[C@@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 ZINC001443537977 1066326411 /nfs/dbraw/zinc/32/64/11/1066326411.db2.gz BCLKFIHJNKGMGV-XMMPIXPASA-N 0 0 457.530 4.562 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CC1(C)C ZINC001361087320 1066326486 /nfs/dbraw/zinc/32/64/86/1066326486.db2.gz GTJGOFWMEJLBCM-IBGZPJMESA-N 0 0 457.022 4.668 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001361087501 1066326826 /nfs/dbraw/zinc/32/68/26/1066326826.db2.gz MKPVJSOCUFUMEX-WOVHNISZSA-N 0 0 491.076 4.665 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1 ZINC001454727070 1066326724 /nfs/dbraw/zinc/32/67/24/1066326724.db2.gz PUUXIAQXEBZXGX-NRFANRHFSA-N 0 0 459.631 4.714 20 0 JJADRN O=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(O)cc2)CC1 ZINC001454724224 1066326823 /nfs/dbraw/zinc/32/68/23/1066326823.db2.gz WIWZUWWYEWBOKM-UHFFFAOYSA-N 0 0 457.361 4.796 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1 ZINC001454727071 1066327069 /nfs/dbraw/zinc/32/70/69/1066327069.db2.gz PUUXIAQXEBZXGX-OAQYLSRUSA-N 0 0 459.631 4.714 20 0 JJADRN CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC001443538315 1066327262 /nfs/dbraw/zinc/32/72/62/1066327262.db2.gz ZRSOUSKMYRGCGW-UHFFFAOYSA-N 0 0 459.666 4.664 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Cc1ccncc1 ZINC001443541503 1066327317 /nfs/dbraw/zinc/32/73/17/1066327317.db2.gz RSWYULMSRMCDFY-HXUWFJFHSA-N 0 0 454.979 4.789 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)sc2C)s1 ZINC001443538444 1066327349 /nfs/dbraw/zinc/32/73/49/1066327349.db2.gz IKABZIVFFGXXKW-UHFFFAOYSA-N 0 0 457.602 4.559 20 0 JJADRN C[C@H](C(=O)N1CCN(c2ccc(F)cc2F)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454729796 1066327512 /nfs/dbraw/zinc/32/75/12/1066327512.db2.gz ZRBYVAPFAUBNKX-JTSKRJEESA-N 0 0 459.537 4.516 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001454729984 1066327580 /nfs/dbraw/zinc/32/75/80/1066327580.db2.gz KXBXQVPKYDQYBP-HXUWFJFHSA-N 0 0 451.876 4.554 20 0 JJADRN Cn1ccnc1SCc1cccc(C(=O)NCc2cc(F)c(Br)cc2F)c1 ZINC001454731172 1066327732 /nfs/dbraw/zinc/32/77/32/1066327732.db2.gz AERPVTQBWZXZSW-UHFFFAOYSA-N 0 0 452.324 4.683 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)NCc2cc(F)c(Br)cc2F)cc1 ZINC001454731305 1066327755 /nfs/dbraw/zinc/32/77/55/1066327755.db2.gz BWYMYYLGISRDKE-UHFFFAOYSA-N 0 0 450.235 4.642 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCCCCC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001361087814 1066327780 /nfs/dbraw/zinc/32/77/80/1066327780.db2.gz CXNYGPBHVTWBKT-CJFMBICVSA-N 0 0 477.049 4.562 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)[C@@H]1CSC[C@H]1c1ccccc1)Cc1ccccc1 ZINC001454732260 1066328057 /nfs/dbraw/zinc/32/80/57/1066328057.db2.gz BJDGPFMFFGOUSM-RJGXRXQPSA-N 0 0 454.636 4.776 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC001454734192 1066328447 /nfs/dbraw/zinc/32/84/47/1066328447.db2.gz DQUBADIESRJSRO-AWEZNQCLSA-N 0 0 455.338 4.768 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001454737712 1066329377 /nfs/dbraw/zinc/32/93/77/1066329377.db2.gz JJPMDGQPCIQXNY-KRWDZBQOSA-N 0 0 450.284 4.843 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)sc21 ZINC001454737658 1066329543 /nfs/dbraw/zinc/32/95/43/1066329543.db2.gz VWURQIOCNAPCLP-LBPRGKRZSA-N 0 0 456.559 4.728 20 0 JJADRN COc1ccc([C@H](NC(=O)CCCNC(=O)OCc2ccccc2)c2ccc(F)cc2)cc1 ZINC001361088189 1066329484 /nfs/dbraw/zinc/32/94/84/1066329484.db2.gz KQVLHEVANNZDCQ-RUZDIDTESA-N 0 0 450.510 4.747 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(OC)nc2)C1 ZINC001546064955 1066329872 /nfs/dbraw/zinc/32/98/72/1066329872.db2.gz ZTTMOSMCDQAVAE-JOCHJYFZSA-N 0 0 474.378 4.925 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCCC(=O)N(C)C ZINC001361088289 1066330241 /nfs/dbraw/zinc/33/02/41/1066330241.db2.gz HMULLIRQQOCHKR-QUCCMNQESA-N 0 0 476.065 4.602 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)CSc3nncn3-c3ccc(C)c(C)c3)c(C)c2c1 ZINC001443577190 1066330535 /nfs/dbraw/zinc/33/05/35/1066330535.db2.gz GFIXYPYAQHLQDV-KRWDZBQOSA-N 0 0 450.564 4.917 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443578964 1066331004 /nfs/dbraw/zinc/33/10/04/1066331004.db2.gz ZYBSZAMVHMAXPO-NBCNXNJRSA-N 0 0 459.537 4.562 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H](C(C)(C)C)Cc3ccccc31)C2=O ZINC001454750181 1066331280 /nfs/dbraw/zinc/33/12/80/1066331280.db2.gz AICUKEZPQWJLGL-AWGUXVRGSA-N 0 0 453.627 4.765 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443578958 1066331415 /nfs/dbraw/zinc/33/14/15/1066331415.db2.gz ZYBSZAMVHMAXPO-DKZVUGQWSA-N 0 0 459.537 4.562 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCC(=O)N(C)C ZINC001361088506 1066331728 /nfs/dbraw/zinc/33/17/28/1066331728.db2.gz IUBROYDSWSXEPS-IBGZPJMESA-N 0 0 476.065 4.602 20 0 JJADRN O=Cc1ccc(OCC(=O)N[C@H](CCc2ccccc2)c2ccccn2)c(Br)c1 ZINC001454767112 1066331678 /nfs/dbraw/zinc/33/16/78/1066331678.db2.gz DTFQEYOLVAYAME-OAQYLSRUSA-N 0 0 453.336 4.526 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)NC(=O)OC(C)(C)C)cc1 ZINC001443581708 1066332012 /nfs/dbraw/zinc/33/20/12/1066332012.db2.gz FLUIKGKONPYFJN-FHWLQOOXSA-N 0 0 458.521 4.992 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H]2C)n1CCN1CCOCC1(C)C ZINC001361088636 1066331966 /nfs/dbraw/zinc/33/19/66/1066331966.db2.gz KMUVYIHIOBTSLV-PZJWPPBQSA-N 0 0 490.092 4.597 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001443582160 1066332360 /nfs/dbraw/zinc/33/23/60/1066332360.db2.gz LCSTZAIGSLQQCH-UHFFFAOYSA-N 0 0 454.567 4.619 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H]1CCSC1 ZINC001454769736 1066332473 /nfs/dbraw/zinc/33/24/73/1066332473.db2.gz CBAKPXCBAXKNQH-WXTAPIANSA-N 0 0 452.620 4.953 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC001454767635 1066332580 /nfs/dbraw/zinc/33/25/80/1066332580.db2.gz ANBFBNJRIMUNNI-MSEWRSJXSA-N 0 0 459.587 4.764 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O ZINC001361088733 1066332628 /nfs/dbraw/zinc/33/26/28/1066332628.db2.gz ZSNLTLHXTLMAEQ-FQEVSTJZSA-N 0 0 497.105 4.701 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001361088747 1066332770 /nfs/dbraw/zinc/33/27/70/1066332770.db2.gz LBIRXEHOCZOBCA-LJQANCHMSA-N 0 0 498.071 4.933 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H](C)c2cccs2)n1Cc1nncn1C ZINC001361088684 1066332780 /nfs/dbraw/zinc/33/27/80/1066332780.db2.gz YFSZJIRVCGTCJG-QGZVFWFLSA-N 0 0 486.045 4.687 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCOCC1 ZINC001361088809 1066332840 /nfs/dbraw/zinc/33/28/40/1066332840.db2.gz LUEPZIMPICWTDB-SFHVURJKSA-N 0 0 488.032 4.887 20 0 JJADRN Cc1ccc2nc(COc3ccc(C(=O)NCc4ccc(OC(F)F)cc4F)cc3)cn2c1 ZINC001454782237 1066333321 /nfs/dbraw/zinc/33/33/21/1066333321.db2.gz UNKZVORCBAOJDX-UHFFFAOYSA-N 0 0 455.436 4.892 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3cc(F)ccc3Br)CC2)n1 ZINC001454780273 1066333606 /nfs/dbraw/zinc/33/36/06/1066333606.db2.gz DWBKZWFAYQNFQJ-UHFFFAOYSA-N 0 0 455.393 4.552 20 0 JJADRN COc1cc(COCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccn1 ZINC001443590878 1066333923 /nfs/dbraw/zinc/33/39/23/1066333923.db2.gz ZIMKHZTUNLHONM-QMHWCDLVSA-N 0 0 454.567 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(OCc3ccccc3)ccn1)C2 ZINC001454813740 1066334669 /nfs/dbraw/zinc/33/46/69/1066334669.db2.gz DXAJGWJJPYRPQY-WKCHPHFGSA-N 0 0 451.567 4.569 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1cc(Br)cc(N)c1N ZINC001443592966 1066334763 /nfs/dbraw/zinc/33/47/63/1066334763.db2.gz YWHIJEXZWHXZGR-UHFFFAOYSA-N 0 0 454.324 4.710 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCC(=O)NC(C)C ZINC001361089192 1066334759 /nfs/dbraw/zinc/33/47/59/1066334759.db2.gz QGDLNHSTEFXPLI-RBBKRZOGSA-N 0 0 488.076 4.935 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCC(=O)NC(C)C ZINC001361089190 1066334860 /nfs/dbraw/zinc/33/48/60/1066334860.db2.gz QGDLNHSTEFXPLI-IFMALSPDSA-N 0 0 488.076 4.935 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CO)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001361089208 1066334943 /nfs/dbraw/zinc/33/49/43/1066334943.db2.gz QNYKWFSCLBOVIK-RTWAWAEBSA-N 0 0 491.076 4.665 20 0 JJADRN CCN(C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443597117 1066334940 /nfs/dbraw/zinc/33/49/40/1066334940.db2.gz BEEHOPXLXUPXFU-KOZCABKTSA-N 0 0 471.548 4.991 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N3CCC(Cc4ccccc4Cl)CC3)cn2)cc1OC ZINC001454821958 1066334981 /nfs/dbraw/zinc/33/49/81/1066334981.db2.gz QTMFEJVUEHZPRV-UHFFFAOYSA-N 0 0 453.970 4.697 20 0 JJADRN O=C(N1CCC(OC[C@H]2CCCO2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001454819653 1066335097 /nfs/dbraw/zinc/33/50/97/1066335097.db2.gz 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AHGYRTIZLPGESO-FJSNCCPHSA-N 0 0 454.621 4.604 20 0 JJADRN Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC001454984576 1066349823 /nfs/dbraw/zinc/34/98/23/1066349823.db2.gz AZYDSZYROTXGDX-QFIPXVFZSA-N 0 0 455.967 4.822 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC001443684726 1066349894 /nfs/dbraw/zinc/34/98/94/1066349894.db2.gz IQFCWOBFFBNRRQ-UHFFFAOYSA-N 0 0 452.576 4.652 20 0 JJADRN O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](CF)c1ccc(F)cc1 ZINC001454993439 1066350041 /nfs/dbraw/zinc/35/00/41/1066350041.db2.gz MGZFDQSZRPZQHU-XMMPIXPASA-N 0 0 450.485 4.881 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC001443686824 1066350307 /nfs/dbraw/zinc/35/03/07/1066350307.db2.gz IDWJOASPSWBZEL-AWEZNQCLSA-N 0 0 450.486 4.885 20 0 JJADRN CC(C)(C)[C@H]1CCCN1C(=O)Cc1ccc(I)c(Br)c1 ZINC001361100762 1066350510 /nfs/dbraw/zinc/35/05/10/1066350510.db2.gz SFYFHNBSOWYWKN-CQSZACIVSA-N 0 0 450.158 4.633 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C)c3ccc(-c4ccccc4OC)cc3)CC2=O)cc1 ZINC001361100295 1066350527 /nfs/dbraw/zinc/35/05/27/1066350527.db2.gz DOKZGKUOGBRINK-CVDCTZTESA-N 0 0 458.558 4.597 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2nscc2I)cc1 ZINC001443690028 1066351100 /nfs/dbraw/zinc/35/11/00/1066351100.db2.gz QXKFFAOXHCRLRD-UHFFFAOYSA-N 0 0 450.301 4.778 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1 ZINC001361101971 1066351478 /nfs/dbraw/zinc/35/14/78/1066351478.db2.gz HWUPEYWQQULKCK-JKSUJKDBSA-N 0 0 455.462 4.721 20 0 JJADRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455004402 1066352100 /nfs/dbraw/zinc/35/21/00/1066352100.db2.gz TVKZYBSYPQBPJZ-OAQYLSRUSA-N 0 0 458.484 4.749 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)C)n3C[C@H](C)Oc3cccc(F)c3)CC2)nc(C(C)C)n1 ZINC001361102698 1066352226 /nfs/dbraw/zinc/35/22/26/1066352226.db2.gz BWUQQHMRZHXOFH-FQEVSTJZSA-N 0 0 481.620 4.557 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)C1 ZINC001443697192 1066352220 /nfs/dbraw/zinc/35/22/20/1066352220.db2.gz KHLXWVWZLUZDOI-IBGZPJMESA-N 0 0 452.942 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001443698156 1066352285 /nfs/dbraw/zinc/35/22/85/1066352285.db2.gz LQJPHRPYDPFBJT-URXFXBBRSA-N 0 0 451.007 4.840 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455007079 1066352370 /nfs/dbraw/zinc/35/23/70/1066352370.db2.gz ORPOLBQDSPDLPL-DLBZAZTESA-N 0 0 459.587 4.656 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455006735 1066352537 /nfs/dbraw/zinc/35/25/37/1066352537.db2.gz WVWQTRBNOANKMJ-ZHRRBRCNSA-N 0 0 457.571 4.550 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455006723 1066352547 /nfs/dbraw/zinc/35/25/47/1066352547.db2.gz WVWQTRBNOANKMJ-KSFYIVLOSA-N 0 0 457.571 4.550 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2CCCN(C)CC(F)(F)F)cs1 ZINC001361103100 1066352504 /nfs/dbraw/zinc/35/25/04/1066352504.db2.gz RISBMHSSNAVPDL-UHFFFAOYSA-N 0 0 452.550 4.594 20 0 JJADRN CCc1c(C(=O)Nc2cnn(CC(=O)Nc3ccc(SC)cc3)c2)cnn1C(CC)CC ZINC001443698851 1066352581 /nfs/dbraw/zinc/35/25/81/1066352581.db2.gz INXHXKMDRQSZRA-UHFFFAOYSA-N 0 0 454.600 4.616 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001455008989 1066352749 /nfs/dbraw/zinc/35/27/49/1066352749.db2.gz QDODSNUESULGPN-FQEVSTJZSA-N 0 0 452.559 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC001443702201 1066353297 /nfs/dbraw/zinc/35/32/97/1066353297.db2.gz AJWJDHRAICUGDS-INIZCTEOSA-N 0 0 451.405 4.634 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)(C)C)c1 ZINC001361103311 1066353234 /nfs/dbraw/zinc/35/32/34/1066353234.db2.gz ZLOKKFIWDOPJJP-FQEVSTJZSA-N 0 0 484.645 4.589 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccc(SC)cc1 ZINC001361103736 1066353281 /nfs/dbraw/zinc/35/32/81/1066353281.db2.gz HBFWHQSECLCEGH-JOCHJYFZSA-N 0 0 452.532 4.639 20 0 JJADRN CN(C)C(=O)C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)CC1 ZINC001361103796 1066353319 /nfs/dbraw/zinc/35/33/19/1066353319.db2.gz IZTDJIBDAMGPOG-UHFFFAOYSA-N 0 0 457.493 4.886 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545961260 1066353691 /nfs/dbraw/zinc/35/36/91/1066353691.db2.gz RKXQNSPNMNASDW-SFHVURJKSA-N 0 0 469.586 4.610 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(OCC2CC2)cn1 ZINC001361104943 1066354017 /nfs/dbraw/zinc/35/40/17/1066354017.db2.gz YTLSJHMVQOJNHO-UHFFFAOYSA-N 0 0 452.433 4.884 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C12CCCC2 ZINC001361104829 1066354061 /nfs/dbraw/zinc/35/40/61/1066354061.db2.gz TYEQHQYPPSTTJH-GJZGRUSLSA-N 0 0 459.324 4.676 20 0 JJADRN Cc1nc(CCC(=O)N2CCN(C)c3cc(F)ccc32)oc1-c1ccc(Br)cc1 ZINC001361104896 1066354075 /nfs/dbraw/zinc/35/40/75/1066354075.db2.gz UJDCMDRKURETLH-UHFFFAOYSA-N 0 0 458.331 4.967 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC4CCCC4)n3CCCC(F)(F)F)CC2)nc(C(C)C)n1 ZINC001361105518 1066354289 /nfs/dbraw/zinc/35/42/89/1066354289.db2.gz NEDJWLHQGFAIBI-UHFFFAOYSA-N 0 0 479.595 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC001443704025 1066354376 /nfs/dbraw/zinc/35/43/76/1066354376.db2.gz JKTAKYYRNMFGFW-LRDDRELGSA-N 0 0 458.868 4.652 20 0 JJADRN Cc1c(Cl)ccc2c1CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)CC2 ZINC001455034441 1066354585 /nfs/dbraw/zinc/35/45/85/1066354585.db2.gz YMRXBJOOLWSTQC-SANMLTNESA-N 0 0 454.817 4.884 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccc(F)c2ccccc12 ZINC001455040257 1066354686 /nfs/dbraw/zinc/35/46/86/1066354686.db2.gz BETVYTSUHCWPHD-HSZRJFAPSA-N 0 0 450.510 4.619 20 0 JJADRN CCCc1c(C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)nnn1-c1cccc(Cl)c1 ZINC001361105939 1066354748 /nfs/dbraw/zinc/35/47/48/1066354748.db2.gz BLYHJUJGZDHDSJ-UHFFFAOYSA-N 0 0 453.974 4.591 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c1 ZINC001361105891 1066354952 /nfs/dbraw/zinc/35/49/52/1066354952.db2.gz AQFFOCQTLUNTRD-MRXNPFEDSA-N 0 0 451.910 4.992 20 0 JJADRN C[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001443706224 1066354796 /nfs/dbraw/zinc/35/47/96/1066354796.db2.gz SPUKFMUFXZCSPA-WOJBJXKFSA-N 0 0 450.579 4.784 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443705390 1066354832 /nfs/dbraw/zinc/35/48/32/1066354832.db2.gz NNVICYKGGUDSTB-OAQYLSRUSA-N 0 0 452.595 4.880 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)c3cnn(C(C)C)c3n2)c(C)s1 ZINC001455043073 1066355068 /nfs/dbraw/zinc/35/50/68/1066355068.db2.gz AGANIXPSLMVBIZ-IBGZPJMESA-N 0 0 454.518 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CCSc2ccc(Br)cc2)C1 ZINC001443706922 1066355271 /nfs/dbraw/zinc/35/52/71/1066355271.db2.gz VYHGSHSXXRRRCF-OAHLLOKOSA-N 0 0 457.434 4.695 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361106436 1066355456 /nfs/dbraw/zinc/35/54/56/1066355456.db2.gz FOMCJIFWUNMPOZ-WOJBJXKFSA-N 0 0 481.597 4.726 20 0 JJADRN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C1CC1 ZINC001443714943 1066355777 /nfs/dbraw/zinc/35/57/77/1066355777.db2.gz UUMOWMJPGNKVDO-UONOGXRCSA-N 0 0 459.450 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(F)(F)F)c1 ZINC001361106745 1066355908 /nfs/dbraw/zinc/35/59/08/1066355908.db2.gz HMVSRCTWGQEGSQ-AWEZNQCLSA-N 0 0 486.336 4.821 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@H](C)Oc1cccc(C)c1 ZINC001361106916 1066356075 /nfs/dbraw/zinc/35/60/75/1066356075.db2.gz IUZCJAFUJZSBSS-IBGZPJMESA-N 0 0 498.697 4.805 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)nc1C ZINC001455057063 1066356193 /nfs/dbraw/zinc/35/61/93/1066356193.db2.gz PZGBAVLWKZVUCJ-UHFFFAOYSA-N 0 0 456.486 4.589 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001443717652 1066356277 /nfs/dbraw/zinc/35/62/77/1066356277.db2.gz ZYJBOLDAKBOUCO-JLCFBVMHSA-N 0 0 450.963 4.915 20 0 JJADRN CCC(CC)(NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 ZINC001443718459 1066356389 /nfs/dbraw/zinc/35/63/89/1066356389.db2.gz KNPADGJWKBQRGW-ROUUACIJSA-N 0 0 453.391 4.829 20 0 JJADRN CC(C)Sc1ccc(Cl)cc1NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001443720512 1066356464 /nfs/dbraw/zinc/35/64/64/1066356464.db2.gz STKLVTQVSKXZNP-OAQYLSRUSA-N 0 0 458.983 4.755 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CCOCC2)c1 ZINC001361107308 1066356415 /nfs/dbraw/zinc/35/64/15/1066356415.db2.gz LXKLUZLNKFAOTN-SFHVURJKSA-N 0 0 455.990 4.632 20 0 JJADRN Cc1c(F)cccc1NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001361107732 1066356451 /nfs/dbraw/zinc/35/64/51/1066356451.db2.gz VRRYUPZXXPGSSC-UHFFFAOYSA-N 0 0 452.301 4.716 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c1 ZINC001361107586 1066356463 /nfs/dbraw/zinc/35/64/63/1066356463.db2.gz OXIBQVIZFVYJNV-HNNXBMFYSA-N 0 0 489.527 4.623 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455063606 1066356599 /nfs/dbraw/zinc/35/65/99/1066356599.db2.gz SXQSTCHFOQGEPM-UHFFFAOYSA-N 0 0 452.292 4.927 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001361108195 1066356843 /nfs/dbraw/zinc/35/68/43/1066356843.db2.gz UIZZINCAJRPQHM-QGZVFWFLSA-N 0 0 462.520 4.623 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361107847 1066356908 /nfs/dbraw/zinc/35/69/08/1066356908.db2.gz QVKZOMPNOFNNBX-YADHBBJMSA-N 0 0 490.652 4.556 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443724450 1066357349 /nfs/dbraw/zinc/35/73/49/1066357349.db2.gz GJVLMOCNYAGEFN-HNNXBMFYSA-N 0 0 456.326 4.777 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361108297 1066357477 /nfs/dbraw/zinc/35/74/77/1066357477.db2.gz VRQGNDPRTOPXPQ-LJQANCHMSA-N 0 0 457.619 4.671 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)[C@H](C)C2)c1 ZINC001361108393 1066357516 /nfs/dbraw/zinc/35/75/16/1066357516.db2.gz XJTRRBLWIGEFPV-KZNAEPCWSA-N 0 0 472.431 4.914 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)c1 ZINC001361109590 1066357864 /nfs/dbraw/zinc/35/78/64/1066357864.db2.gz BSPRDTNRKBSYTP-UGKGYDQZSA-N 0 0 469.630 4.972 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C1)=C2 ZINC001443725792 1066357895 /nfs/dbraw/zinc/35/78/95/1066357895.db2.gz JRLHYYHVSXMTDE-HXUWFJFHSA-N 0 0 452.309 4.907 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC001443726756 1066358148 /nfs/dbraw/zinc/35/81/48/1066358148.db2.gz FHUMRYCLHYUTKZ-QGZVFWFLSA-N 0 0 454.542 4.822 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC001455081710 1066358476 /nfs/dbraw/zinc/35/84/76/1066358476.db2.gz NLYONZYQWAVHRY-NSHDSACASA-N 0 0 452.267 4.542 20 0 JJADRN Cc1noc(C2(C)CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)CC2)n1 ZINC001361109719 1066358351 /nfs/dbraw/zinc/35/83/51/1066358351.db2.gz DVQYZIIASKXKEH-GOSISDBHSA-N 0 0 452.603 4.601 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCSC[C@@H]2C)c1 ZINC001361109823 1066358541 /nfs/dbraw/zinc/35/85/41/1066358541.db2.gz GTDZWKMOQDJMKI-SEIRJHJZSA-N 0 0 458.672 4.914 20 0 JJADRN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443727486 1066358462 /nfs/dbraw/zinc/35/84/62/1066358462.db2.gz LOFPWKSIKLTZHX-IIBYNOLFSA-N 0 0 454.325 4.904 20 0 JJADRN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1Br ZINC001443727736 1066358517 /nfs/dbraw/zinc/35/85/17/1066358517.db2.gz SIMOSYHIFFERJG-GFCCVEGCSA-N 0 0 459.207 4.806 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(C)c1 ZINC001455087255 1066358843 /nfs/dbraw/zinc/35/88/43/1066358843.db2.gz YBSRXTPWCUYKSO-DHIUTWEWSA-N 0 0 456.652 4.759 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCSC[C@@H]2C)c1 ZINC001361109825 1066358967 /nfs/dbraw/zinc/35/89/67/1066358967.db2.gz GTDZWKMOQDJMKI-YVNJGZBMSA-N 0 0 458.672 4.914 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)c1nccnc1Cl ZINC001455085812 1066358997 /nfs/dbraw/zinc/35/89/97/1066358997.db2.gz PYWWHNLCIVXAKA-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1OCCCCCO ZINC001455094218 1066359404 /nfs/dbraw/zinc/35/94/04/1066359404.db2.gz QEBNHQJXTCHADD-AREMUKBSSA-N 0 0 458.558 4.872 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)c1cccc2n[nH]nc21 ZINC001455087467 1066359468 /nfs/dbraw/zinc/35/94/68/1066359468.db2.gz WZNWPVLBGGUMBS-UHFFFAOYSA-N 0 0 456.243 4.607 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1)C(=O)OC(C)(C)C ZINC001443731519 1066359702 /nfs/dbraw/zinc/35/97/02/1066359702.db2.gz NQKNWFUYDGCDSF-AWEZNQCLSA-N 0 0 459.812 4.751 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C(C)(C)C2)c1 ZINC001361110574 1066359711 /nfs/dbraw/zinc/35/97/11/1066359711.db2.gz QDIRBTKFKGKSAS-VQTJNVASSA-N 0 0 481.666 4.918 20 0 JJADRN Cc1ccc(NC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)cc1C(=O)NC(C)C ZINC001443731302 1066359796 /nfs/dbraw/zinc/35/97/96/1066359796.db2.gz PKIBQACFWDZWSB-UHFFFAOYSA-N 0 0 453.926 4.805 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110734 1066360164 /nfs/dbraw/zinc/36/01/64/1066360164.db2.gz RHNXEBWWLUFXRZ-WZONZLPQSA-N 0 0 468.564 4.782 20 0 JJADRN CN(C[C@@H]1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1)C(=O)OC(C)(C)C ZINC001443735036 1066360811 /nfs/dbraw/zinc/36/08/11/1066360811.db2.gz XOSGDOGLZPLGJA-LBPRGKRZSA-N 0 0 451.778 4.741 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001361111126 1066360989 /nfs/dbraw/zinc/36/09/89/1066360989.db2.gz VTIDIELACMZXST-FDFHNCONSA-N 0 0 497.684 4.946 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)C2)c1 ZINC001455101313 1066361120 /nfs/dbraw/zinc/36/11/20/1066361120.db2.gz LPSUXHRNZLENLH-QFQXNSOFSA-N 0 0 457.615 4.586 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC001361111413 1066361225 /nfs/dbraw/zinc/36/12/25/1066361225.db2.gz ZKESJZXCMWYPEZ-TZIWHRDSSA-N 0 0 482.629 4.727 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC001361111412 1066361641 /nfs/dbraw/zinc/36/16/41/1066361641.db2.gz ZKESJZXCMWYPEZ-PZJWPPBQSA-N 0 0 482.629 4.727 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001455104840 1066361647 /nfs/dbraw/zinc/36/16/47/1066361647.db2.gz HDMANJJXNBJMQP-QVKFZJNVSA-N 0 0 450.539 4.917 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 ZINC001455103038 1066361693 /nfs/dbraw/zinc/36/16/93/1066361693.db2.gz SXRFTRCZKORQSL-MHZLTWQESA-N 0 0 458.643 4.815 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361111813 1066361773 /nfs/dbraw/zinc/36/17/73/1066361773.db2.gz CEKFELUQBQPSEM-ZEQKJWHPSA-N 0 0 456.631 4.675 20 0 JJADRN COCC(=O)Nc1ccc(OC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC001443742915 1066362015 /nfs/dbraw/zinc/36/20/15/1066362015.db2.gz HDOIXPRVCWVPHL-UHFFFAOYSA-N 0 0 450.438 4.557 20 0 JJADRN COCC(=O)Nc1ccc(OC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)cc1 ZINC001443742711 1066362058 /nfs/dbraw/zinc/36/20/58/1066362058.db2.gz NEWYWUQDUVGHJD-UHFFFAOYSA-N 0 0 450.491 4.991 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc2cnccc2o1 ZINC001455104977 1066362033 /nfs/dbraw/zinc/36/20/33/1066362033.db2.gz GMWHZGVHLMBMDU-CQSZACIVSA-N 0 0 455.923 4.773 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)COc1ccc(F)cc1Cl)C2 ZINC001455107138 1066362099 /nfs/dbraw/zinc/36/20/99/1066362099.db2.gz APSMAALXMZKLEF-UHFFFAOYSA-N 0 0 450.894 4.626 20 0 JJADRN Cn1c(C(=O)NCc2noc3cc(F)ccc23)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001455108186 1066362134 /nfs/dbraw/zinc/36/21/34/1066362134.db2.gz MZNYHAYKFUJYHU-IBGZPJMESA-N 0 0 456.518 4.698 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccoc2)c1 ZINC001361111925 1066362329 /nfs/dbraw/zinc/36/23/29/1066362329.db2.gz FYITZLCVKAHSTG-UHFFFAOYSA-N 0 0 456.344 4.501 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001361111825 1066362351 /nfs/dbraw/zinc/36/23/51/1066362351.db2.gz COZCPNQFIARUBV-QZTJIDSGSA-N 0 0 488.430 4.674 20 0 JJADRN CCCCn1ncc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)c1C ZINC001443756545 1066362444 /nfs/dbraw/zinc/36/24/44/1066362444.db2.gz LZMMTHOAQWHQDC-CJFMBICVSA-N 0 0 452.643 4.617 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCCCO2)c1 ZINC001361112265 1066362750 /nfs/dbraw/zinc/36/27/50/1066362750.db2.gz QQLGCUCRRNIFFO-LJQANCHMSA-N 0 0 488.430 4.819 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1ccc3[nH]c(C(F)F)nc3c1)C2 ZINC001455112246 1066363201 /nfs/dbraw/zinc/36/32/01/1066363201.db2.gz LGVYSDCTPBUMHM-UHFFFAOYSA-N 0 0 458.465 4.882 20 0 JJADRN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)CCOc2cccc(C)c2)N2CCOCC2)o1 ZINC001361113054 1066363786 /nfs/dbraw/zinc/36/37/86/1066363786.db2.gz DJZCLEYYDYBCSI-DEOSSOPVSA-N 0 0 495.668 4.665 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCO2)c1 ZINC001361113096 1066363927 /nfs/dbraw/zinc/36/39/27/1066363927.db2.gz FBOKYOCZYFCEES-DNVJHFABSA-N 0 0 456.631 4.589 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361113184 1066364419 /nfs/dbraw/zinc/36/44/19/1066364419.db2.gz PVSVAOATOZPSTM-NJWFCXLTSA-N 0 0 458.518 4.973 20 0 JJADRN Cc1ccc(C(=O)NCCc2ccc(Br)cc2F)cc1NC(=O)NC(C)(C)C ZINC001443764755 1066364449 /nfs/dbraw/zinc/36/44/49/1066364449.db2.gz HTBIYACUGHJFLJ-UHFFFAOYSA-N 0 0 450.352 4.789 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001443764746 1066364579 /nfs/dbraw/zinc/36/45/79/1066364579.db2.gz HSGMRLMQLLXHPW-MRXNPFEDSA-N 0 0 453.797 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(OCc3cccnc3)cc2)(c2ccccc2)C1 ZINC001455139049 1066364844 /nfs/dbraw/zinc/36/48/44/1066364844.db2.gz RLXINFPEVXMNHI-UHFFFAOYSA-N 0 0 459.546 4.537 20 0 JJADRN Cc1cc(C(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)c2c(n1)onc2C(C)C ZINC001455135287 1066364861 /nfs/dbraw/zinc/36/48/61/1066364861.db2.gz IGHHYZCOWHEWPJ-UHFFFAOYSA-N 0 0 450.539 4.531 20 0 JJADRN COc1cc2nc(NC(=O)c3c(C)onc3-c3cccc(Br)c3)[nH]c2cc1OC ZINC001443768791 1066364945 /nfs/dbraw/zinc/36/49/45/1066364945.db2.gz PYPITIGJQZJNMS-UHFFFAOYSA-N 0 0 457.284 4.558 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CC(F)(F)F)c1 ZINC001361113862 1066364936 /nfs/dbraw/zinc/36/49/36/1066364936.db2.gz VLITUDLVYSGTHF-NHCUHLMSSA-N 0 0 497.606 4.514 20 0 JJADRN COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001455143028 1066365114 /nfs/dbraw/zinc/36/51/14/1066365114.db2.gz LJXSOCQMZIGXFG-SFHVURJKSA-N 0 0 453.366 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3ccc(N4CCCCC4)c(F)c3)nc2C1 ZINC001455141365 1066365322 /nfs/dbraw/zinc/36/53/22/1066365322.db2.gz FCVVYRWOPMDARD-UHFFFAOYSA-N 0 0 454.546 4.757 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(CC(C)C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361113920 1066365445 /nfs/dbraw/zinc/36/54/45/1066365445.db2.gz XCQOFSJSCZKXGZ-UHFFFAOYSA-N 0 0 467.580 4.575 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CC3(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001443770477 1066365755 /nfs/dbraw/zinc/36/57/55/1066365755.db2.gz SUPPMSHVONAXBA-PIBDYAPNSA-N 0 0 450.579 4.659 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)c3ccccc3CSc3nc(C)cs3)CC2)n1 ZINC001361114257 1066365836 /nfs/dbraw/zinc/36/58/36/1066365836.db2.gz FVLAQXCVQVJGTC-UHFFFAOYSA-N 0 0 459.666 4.510 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001443771451 1066365895 /nfs/dbraw/zinc/36/58/95/1066365895.db2.gz CMVFOCIAMDPUIX-DEOSSOPVSA-N 0 0 455.480 4.754 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)n2)c1 ZINC001443772294 1066366150 /nfs/dbraw/zinc/36/61/50/1066366150.db2.gz 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ZINC001455258197 1066376481 /nfs/dbraw/zinc/37/64/81/1066376481.db2.gz YZEGZDKECXFJNO-QVKFZJNVSA-N 0 0 450.448 4.576 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546070688 1066376759 /nfs/dbraw/zinc/37/67/59/1066376759.db2.gz NPVJVCFSSMWJSW-OHUGHZGNSA-N 0 0 461.651 4.793 20 0 JJADRN CCC[C@@H](C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc(Cl)c1 ZINC001443856383 1066376780 /nfs/dbraw/zinc/37/67/80/1066376780.db2.gz SRUFHRQMASATQW-OAQYLSRUSA-N 0 0 458.986 4.662 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCc2c(OC)cc(OC)cc2OC)C1 ZINC001546070705 1066376938 /nfs/dbraw/zinc/37/69/38/1066376938.db2.gz NYFLKRYSPOACKK-SANMLTNESA-N 0 0 465.598 4.543 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cccs3)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001361124124 1066376942 /nfs/dbraw/zinc/37/69/42/1066376942.db2.gz XMMMSJPNAYHOHF-FQRUVTKNSA-N 0 0 484.666 4.569 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCC(F)(F)F)n2CC(C)(C)N2CCOCC2)c1 ZINC001361124078 1066377140 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BFPPBFVHDZHZOZ-VAWYXSNFSA-N 0 0 458.524 4.880 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2CC2(O)CCC2)c1 ZINC001361124195 1066378329 /nfs/dbraw/zinc/37/83/29/1066378329.db2.gz ZQRCJKDQAZHJJP-IBGZPJMESA-N 0 0 469.655 4.900 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 ZINC001361124420 1066378348 /nfs/dbraw/zinc/37/83/48/1066378348.db2.gz DZNZTWBLOJODPH-SFHVURJKSA-N 0 0 452.542 4.997 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)CCn2c(C)cc(O)cc2=O)cc1 ZINC001455274464 1066378510 /nfs/dbraw/zinc/37/85/10/1066378510.db2.gz PJBYLVNTKPKCIJ-UHFFFAOYSA-N 0 0 456.539 4.564 20 0 JJADRN Cc1ccccc1C1(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CCCC1 ZINC001455272400 1066378651 /nfs/dbraw/zinc/37/86/51/1066378651.db2.gz IAINYLSEHZCTBR-UHFFFAOYSA-N 0 0 455.624 4.873 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001455276457 1066378976 /nfs/dbraw/zinc/37/89/76/1066378976.db2.gz SEASLSXLEZRDHB-SJORKVTESA-N 0 0 456.505 4.985 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCc1nc2ccccc2n1C ZINC001443873367 1066379362 /nfs/dbraw/zinc/37/93/62/1066379362.db2.gz PBIASLZYTYQXLH-CYBMUJFWSA-N 0 0 450.764 4.506 20 0 JJADRN COc1ccc2[nH]c(C)c(C(=O)N3CCOc4ccc(NC(=O)OC(C)(C)C)cc4C3)c2c1 ZINC001455277383 1066379414 /nfs/dbraw/zinc/37/94/14/1066379414.db2.gz WOKREOLBXBBYMM-UHFFFAOYSA-N 0 0 451.523 4.867 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCC2(O)CCOCC2)c1 ZINC001361125778 1066379511 /nfs/dbraw/zinc/37/95/11/1066379511.db2.gz DFBIWSBNGCLNAY-VXKWHMMOSA-N 0 0 470.658 4.703 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001455277523 1066379593 /nfs/dbraw/zinc/37/95/93/1066379593.db2.gz XGUHOWTZBIGGOI-AVRDEDQJSA-N 0 0 452.551 4.957 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCC2(O)CCOCC2)c1 ZINC001361125776 1066379638 /nfs/dbraw/zinc/37/96/38/1066379638.db2.gz DFBIWSBNGCLNAY-FCHUYYIVSA-N 0 0 470.658 4.703 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361125752 1066379728 /nfs/dbraw/zinc/37/97/28/1066379728.db2.gz CELQNMNFXYUDMV-PMACEKPBSA-N 0 0 476.687 4.594 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCC2(O)CCOCC2)c1 ZINC001361125777 1066379762 /nfs/dbraw/zinc/37/97/62/1066379762.db2.gz DFBIWSBNGCLNAY-FGZHOGPDSA-N 0 0 470.658 4.703 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(SC)cn3)c2)cc1 ZINC001443875851 1066379752 /nfs/dbraw/zinc/37/97/52/1066379752.db2.gz JQWJCKJQVHYBTR-UHFFFAOYSA-N 0 0 457.577 4.564 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(Br)cc1F ZINC001443876030 1066379979 /nfs/dbraw/zinc/37/99/79/1066379979.db2.gz KNYFFHBHPFQHMX-RDTXWAMCSA-N 0 0 459.400 4.967 20 0 JJADRN COc1cccc([C@@H]2CCN(C(=O)c3cc(CNC(=O)OC(C)(C)C)n(C)c3C)C2(C)C)c1 ZINC001455284341 1066380347 /nfs/dbraw/zinc/38/03/47/1066380347.db2.gz MMFUPWPRKPTJHD-QFIPXVFZSA-N 0 0 455.599 4.775 20 0 JJADRN CSc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)nc1 ZINC001443882667 1066380573 /nfs/dbraw/zinc/38/05/73/1066380573.db2.gz ZYLVHZGGTFGTMF-INIZCTEOSA-N 0 0 452.374 4.771 20 0 JJADRN O=C(Cc1ccc(Br)c(F)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443884681 1066380928 /nfs/dbraw/zinc/38/09/28/1066380928.db2.gz LHDNARJHEFZRCW-INIZCTEOSA-N 0 0 457.746 4.704 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCC(=O)NC2CC2)c1 ZINC001361125960 1066381280 /nfs/dbraw/zinc/38/12/80/1066381280.db2.gz IDGLZXXOBZTMLU-PMACEKPBSA-N 0 0 453.631 4.582 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883234 1066381372 /nfs/dbraw/zinc/38/13/72/1066381372.db2.gz KLUDVWSQQCBZNH-NSISKUIASA-N 0 0 468.013 4.643 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(-c4cc(C)c(C)cc4C)[nH]n3)cc2)c1C ZINC001455298325 1066381702 /nfs/dbraw/zinc/38/17/02/1066381702.db2.gz BPKHBRNPOCCUCL-UHFFFAOYSA-N 0 0 457.534 4.925 20 0 JJADRN Cc1csc(C2(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)CCCC2)n1 ZINC001443892784 1066381871 /nfs/dbraw/zinc/38/18/71/1066381871.db2.gz PRYZCKNUEYWHGF-SANMLTNESA-N 0 0 455.443 4.688 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[C@@H]43)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361126002 1066381927 /nfs/dbraw/zinc/38/19/27/1066381927.db2.gz ITUFQGJKCGVMQW-CTNGQTDRSA-N 0 0 469.630 4.802 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[C@H]43)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361126004 1066381988 /nfs/dbraw/zinc/38/19/88/1066381988.db2.gz ITUFQGJKCGVMQW-PZJWPPBQSA-N 0 0 469.630 4.802 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN(C)C(=O)[C@H]2CCCN2c2ncccn2)ccc1F ZINC001455303018 1066382165 /nfs/dbraw/zinc/38/21/65/1066382165.db2.gz NJZLARUHHAZYBY-OAQYLSRUSA-N 0 0 454.933 4.997 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cccc(NCc2ccccn2)c1 ZINC001443890353 1066382221 /nfs/dbraw/zinc/38/22/21/1066382221.db2.gz ORNMZGRWYACRHV-HSZRJFAPSA-N 0 0 452.961 4.881 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC[C@@H]2COCCO2)c1 ZINC001361126081 1066382502 /nfs/dbraw/zinc/38/25/02/1066382502.db2.gz KOAUGIHVHRWENY-FCHUYYIVSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC[C@@H]2COCCO2)c1 ZINC001361126082 1066382612 /nfs/dbraw/zinc/38/26/12/1066382612.db2.gz KOAUGIHVHRWENY-FGZHOGPDSA-N 0 0 470.658 4.967 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(OCc2ccccc2)ccn1 ZINC001443895757 1066382884 /nfs/dbraw/zinc/38/28/84/1066382884.db2.gz RISKUJCICXNKON-NRFANRHFSA-N 0 0 453.945 4.848 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443896492 1066383111 /nfs/dbraw/zinc/38/31/11/1066383111.db2.gz TYBXGVLMAGCFFN-AOAYEWICSA-N 0 0 480.024 4.619 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCCCCC[C@@H]43)n2CCC(=O)N(C)C)c1 ZINC001361126180 1066383068 /nfs/dbraw/zinc/38/30/68/1066383068.db2.gz MQVJXUWGKUQVRH-GMAHTHKFSA-N 0 0 467.658 4.926 20 0 JJADRN O=C(c1ccc(Br)c(Cl)c1F)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC001455319039 1066383166 /nfs/dbraw/zinc/38/31/66/1066383166.db2.gz ZCPRUKKRIZRPJG-SFHVURJKSA-N 0 0 452.686 4.892 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900550 1066383423 /nfs/dbraw/zinc/38/34/23/1066383423.db2.gz VZMAQCMDDGOIOH-QGZVFWFLSA-N 0 0 457.899 4.951 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001361126281 1066383555 /nfs/dbraw/zinc/38/35/55/1066383555.db2.gz PJVGOWGTHYVOMX-JGCGQSQUSA-N 0 0 458.672 4.826 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001443904658 1066383567 /nfs/dbraw/zinc/38/35/67/1066383567.db2.gz HVXZRPKOVSRSSR-MRXNPFEDSA-N 0 0 454.543 4.834 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001443905829 1066383990 /nfs/dbraw/zinc/38/39/90/1066383990.db2.gz IOWXEZLMSNWTFV-LBPRGKRZSA-N 0 0 455.568 4.662 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1)C1CCCCC1 ZINC001443908062 1066384166 /nfs/dbraw/zinc/38/41/66/1066384166.db2.gz DZBBZYGPHIRVIS-IBGZPJMESA-N 0 0 452.636 4.868 20 0 JJADRN O=C(Nc1ncsc1C1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001455349081 1066384181 /nfs/dbraw/zinc/38/41/81/1066384181.db2.gz ODMCXDIZXYDJDV-UHFFFAOYSA-N 0 0 451.932 4.866 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCSCC(C)C)c1 ZINC001361126344 1066384427 /nfs/dbraw/zinc/38/44/27/1066384427.db2.gz QIMJJMGEKFQXAE-XZOQPEGZSA-N 0 0 499.725 4.926 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2[C@@H]2C[C@@H]2C)c1 ZINC001361126498 1066384740 /nfs/dbraw/zinc/38/47/40/1066384740.db2.gz SWYHTHCTINWVBU-NZQKXSOJSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001361126471 1066384842 /nfs/dbraw/zinc/38/48/42/1066384842.db2.gz SDJSMQYJBKUYSO-IDISGSTGSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001361126486 1066384859 /nfs/dbraw/zinc/38/48/59/1066384859.db2.gz SOVDGJHGGVHEAR-ZWKOTPCHSA-N 0 0 454.644 4.979 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2[C@H]2C[C@@H]2C)c1 ZINC001361126500 1066384894 /nfs/dbraw/zinc/38/48/94/1066384894.db2.gz SWYHTHCTINWVBU-REWPJTCUSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC(=O)NCC2CC2)c1 ZINC001361126575 1066385106 /nfs/dbraw/zinc/38/51/06/1066385106.db2.gz VAZIOWJLOBRRPI-UHFFFAOYSA-N 0 0 491.558 4.514 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2ccn(C)n2)c1 ZINC001361126574 1066385333 /nfs/dbraw/zinc/38/53/33/1066385333.db2.gz VAXFAKHFCIFNOP-UHFFFAOYSA-N 0 0 476.547 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H]3COC(C)(C)O[C@@H]3c3ccccc3)ccc21 ZINC001455379162 1066385350 /nfs/dbraw/zinc/38/53/50/1066385350.db2.gz UQZRGBWQSPUDNP-IFMALSPDSA-N 0 0 452.551 4.607 20 0 JJADRN CCCc1sc(C(=O)NC[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1CC ZINC001455391831 1066385362 /nfs/dbraw/zinc/38/53/62/1066385362.db2.gz BAOJBKDTVRAEOL-GOSISDBHSA-N 0 0 450.645 4.799 20 0 JJADRN Cc1cc(F)cc2c(O)c(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cnc12 ZINC001443923283 1066385576 /nfs/dbraw/zinc/38/55/76/1066385576.db2.gz ZEVJQCBLDRPOSN-UHFFFAOYSA-N 0 0 451.498 4.521 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC001443919590 1066385847 /nfs/dbraw/zinc/38/58/47/1066385847.db2.gz ZHFVJGLINZJZJW-QHCPKHFHSA-N 0 0 452.551 4.782 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC2(CCOCC2)C1)OC ZINC001545963224 1066385958 /nfs/dbraw/zinc/38/59/58/1066385958.db2.gz SAUBNOPGSRSVKU-SFHVURJKSA-N 0 0 495.487 4.543 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cc1 ZINC001455393525 1066385909 /nfs/dbraw/zinc/38/59/09/1066385909.db2.gz PNCVAAQMXBJAPP-UHFFFAOYSA-N 0 0 457.546 4.975 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCCC(F)(F)C2)c1 ZINC001361126635 1066385833 /nfs/dbraw/zinc/38/58/33/1066385833.db2.gz WTMVKHARAGHGKN-VQTJNVASSA-N 0 0 489.611 4.816 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)N2CCOCC2)c1 ZINC001361126750 1066385932 /nfs/dbraw/zinc/38/59/32/1066385932.db2.gz ZPKKOIDWGAGDFN-UHFFFAOYSA-N 0 0 485.673 4.710 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2CCCN2CCOC2=O)c1 ZINC001361127088 1066386938 /nfs/dbraw/zinc/38/69/38/1066386938.db2.gz DPLCSWXRCHVUHU-HXUWFJFHSA-N 0 0 469.630 4.758 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC001443933553 1066387119 /nfs/dbraw/zinc/38/71/19/1066387119.db2.gz LWBGDSCGKYMCDX-UHFFFAOYSA-N 0 0 450.366 4.868 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncccc2N(C)C)C1 ZINC001546072344 1066387099 /nfs/dbraw/zinc/38/70/99/1066387099.db2.gz CVMJRRYIBURWDS-HRFSGMKKSA-N 0 0 497.688 4.528 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)OC ZINC001545963370 1066387555 /nfs/dbraw/zinc/38/75/55/1066387555.db2.gz VIFCPRRINZIJKM-REWPJTCUSA-N 0 0 470.658 4.690 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(F)(F)C1 ZINC001361127307 1066387864 /nfs/dbraw/zinc/38/78/64/1066387864.db2.gz HGTGBHQECWJXOV-UHFFFAOYSA-N 0 0 458.557 4.799 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2CC[C@@H]2COCCO2)c1 ZINC001361127348 1066387999 /nfs/dbraw/zinc/38/79/99/1066387999.db2.gz HZWVYIHFFXBSAS-JOCHJYFZSA-N 0 0 456.631 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 ZINC001443962184 1066388129 /nfs/dbraw/zinc/38/81/29/1066388129.db2.gz KIGMZCOKVGUZMT-NRFANRHFSA-N 0 0 451.567 4.679 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC001443965945 1066388564 /nfs/dbraw/zinc/38/85/64/1066388564.db2.gz PUZHUORXCHEWGT-LJQANCHMSA-N 0 0 455.624 4.560 20 0 JJADRN O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccccc1SCc1cn2ccccc2n1 ZINC001455422085 1066388883 /nfs/dbraw/zinc/38/88/83/1066388883.db2.gz FDMMUUVWQGLKJT-HXUWFJFHSA-N 0 0 451.979 4.613 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCC(=O)N(C)C)c1 ZINC001361127604 1066389011 /nfs/dbraw/zinc/38/90/11/1066389011.db2.gz LTONCCPULGZILF-UHFFFAOYSA-N 0 0 499.700 4.941 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2C[C@@H]2CSCCS2)c1 ZINC001361127553 1066389060 /nfs/dbraw/zinc/38/90/60/1066389060.db2.gz LNIWONOEWSPDPE-WOJBJXKFSA-N 0 0 476.712 4.753 20 0 JJADRN CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 ZINC001443972914 1066389190 /nfs/dbraw/zinc/38/91/90/1066389190.db2.gz OUWJVKRBNPCPMJ-ZUOKHONESA-N 0 0 456.402 4.625 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2C[C@H]2CSCCS2)c1 ZINC001361127551 1066389189 /nfs/dbraw/zinc/38/91/89/1066389189.db2.gz LNIWONOEWSPDPE-UXHICEINSA-N 0 0 476.712 4.753 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)CC2 ZINC001455434468 1066389746 /nfs/dbraw/zinc/38/97/46/1066389746.db2.gz RNHAUMDJNZUKSS-ZDUSSCGKSA-N 0 0 456.340 4.616 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2CCCC2CCOCC2)c1 ZINC001361127657 1066389591 /nfs/dbraw/zinc/38/95/91/1066389591.db2.gz MUHGHCOEQPDADM-UHFFFAOYSA-N 0 0 456.631 4.722 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C1 ZINC001546072590 1066389883 /nfs/dbraw/zinc/38/98/83/1066389883.db2.gz HKOQHGRGSFWPGG-KDYSTLNUSA-N 0 0 453.675 4.762 20 0 JJADRN COc1cc(NC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c2nccc(OC)c2c1 ZINC001455441376 1066390295 /nfs/dbraw/zinc/39/02/95/1066390295.db2.gz APPRCBVLNBXSCS-MRXNPFEDSA-N 0 0 457.571 4.864 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CCOC2)c1 ZINC001361128033 1066390504 /nfs/dbraw/zinc/39/05/04/1066390504.db2.gz QZDXPPYEPQYZFI-SFHVURJKSA-N 0 0 475.431 4.814 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1Br ZINC001455444439 1066390603 /nfs/dbraw/zinc/39/06/03/1066390603.db2.gz BFOHQOKFYZNUDE-SNVBAGLBSA-N 0 0 453.749 4.517 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC001443987657 1066390844 /nfs/dbraw/zinc/39/08/44/1066390844.db2.gz ZVARQSXFDHXQPI-DEOSSOPVSA-N 0 0 452.551 4.686 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CCCO2)c1 ZINC001361128172 1066390902 /nfs/dbraw/zinc/39/09/02/1066390902.db2.gz UWIRAQJCZZENQZ-FGZHOGPDSA-N 0 0 456.631 4.719 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)s1 ZINC001361128110 1066391036 /nfs/dbraw/zinc/39/10/36/1066391036.db2.gz SIZYOLNYGJOOIS-UYAOXDASSA-N 0 0 496.681 4.559 20 0 JJADRN CCCCNc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cs1 ZINC001443989049 1066391172 /nfs/dbraw/zinc/39/11/72/1066391172.db2.gz LSEOKLGWNRCAEV-UHFFFAOYSA-N 0 0 450.649 4.680 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2cccc(Br)c12 ZINC001443989429 1066391202 /nfs/dbraw/zinc/39/12/02/1066391202.db2.gz ZZOYFAKRZBXRLV-ZDUSSCGKSA-N 0 0 452.274 4.958 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc3c1CN(C(=O)OC(C)(C)C)C3)CC2 ZINC001455447071 1066391234 /nfs/dbraw/zinc/39/12/34/1066391234.db2.gz NHIOCNVLEXKQSA-INIZCTEOSA-N 0 0 452.551 4.714 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccncc1Br ZINC001455447226 1066391308 /nfs/dbraw/zinc/39/13/08/1066391308.db2.gz MHNGUHWIXBFRGL-JTQLQIEISA-N 0 0 457.225 4.679 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)sc2C)cc1 ZINC001443990754 1066391298 /nfs/dbraw/zinc/39/12/98/1066391298.db2.gz QEHQPYMHXKAUAM-UHFFFAOYSA-N 0 0 456.589 4.673 20 0 JJADRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001443989154 1066391442 /nfs/dbraw/zinc/39/14/42/1066391442.db2.gz NATIRHXGNWFVFG-UHFFFAOYSA-N 0 0 455.502 4.610 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCCc2cnn(C)n2)c1 ZINC001361128291 1066391554 /nfs/dbraw/zinc/39/15/54/1066391554.db2.gz WEAHZHOQHGIVRR-NRFANRHFSA-N 0 0 465.646 4.677 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H](C)c2nccs2)c1 ZINC001361128250 1066391607 /nfs/dbraw/zinc/39/16/07/1066391607.db2.gz VPFDPHMWKFTKQW-LJQANCHMSA-N 0 0 469.655 4.758 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Br)c(F)c1 ZINC001443993748 1066392095 /nfs/dbraw/zinc/39/20/95/1066392095.db2.gz PEDJHBVFSBXKMR-MRXNPFEDSA-N 0 0 459.768 4.732 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2nc(C)no2)CC1)OC ZINC001545963548 1066392403 /nfs/dbraw/zinc/39/24/03/1066392403.db2.gz YCVRJDSLKPCWIL-OAQYLSRUSA-N 0 0 452.603 4.743 20 0 JJADRN C[C@@H]1c2ccc(C(=O)Nc3ccc(Br)c(F)c3)n2CCN1C(=O)OC(C)(C)C ZINC001443997923 1066392436 /nfs/dbraw/zinc/39/24/36/1066392436.db2.gz XTCDKUGIVZYOTC-GFCCVEGCSA-N 0 0 452.324 4.954 20 0 JJADRN C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br ZINC001455456868 1066392349 /nfs/dbraw/zinc/39/23/49/1066392349.db2.gz XSNSJXMRAVBXPS-UZUQRXQVSA-N 0 0 454.364 4.957 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC001455455876 1066392363 /nfs/dbraw/zinc/39/23/63/1066392363.db2.gz MGWSLPJHPGQSST-QHCPKHFHSA-N 0 0 452.599 4.761 20 0 JJADRN CC[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)c1nc(C(F)(F)F)cs1 ZINC001361128661 1066392674 /nfs/dbraw/zinc/39/26/74/1066392674.db2.gz BYQPOMABWFEZRU-SECBINFHSA-N 0 0 450.273 4.931 20 0 JJADRN C[C@@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccncc1Br ZINC001455456554 1066392683 /nfs/dbraw/zinc/39/26/83/1066392683.db2.gz JDPUVPCUVSQOJJ-DAESXHAQSA-N 0 0 452.393 4.591 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001443994072 1066392612 /nfs/dbraw/zinc/39/26/12/1066392612.db2.gz ZFAQSEYVEZFALG-UHFFFAOYSA-N 0 0 458.486 4.698 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCNC(=O)C(C)C)c1 ZINC001361128519 1066392892 /nfs/dbraw/zinc/39/28/92/1066392892.db2.gz YHVJLSPEQJMGFB-QFIPXVFZSA-N 0 0 499.700 4.845 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC001455458943 1066392822 /nfs/dbraw/zinc/39/28/22/1066392822.db2.gz UKCJJFVAXSYPQD-JOCHJYFZSA-N 0 0 452.599 4.928 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)C1 ZINC001546072872 1066392911 /nfs/dbraw/zinc/39/29/11/1066392911.db2.gz LRGOTDYVWYIHPK-HFZDXXHNSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(F)c3Br)CC2)cc1 ZINC001444002179 1066393249 /nfs/dbraw/zinc/39/32/49/1066393249.db2.gz PJFKFCFZYLJXLB-UHFFFAOYSA-N 0 0 454.727 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 ZINC001444002028 1066393342 /nfs/dbraw/zinc/39/33/42/1066393342.db2.gz UDUFUOHNXAXPMF-FQEVSTJZSA-N 0 0 450.560 4.975 20 0 JJADRN COc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)sc1Br ZINC001444004497 1066393829 /nfs/dbraw/zinc/39/38/29/1066393829.db2.gz WVSFFKVLCOYESW-CYBMUJFWSA-N 0 0 455.374 4.515 20 0 JJADRN C[C@@H](NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1)C1(N2CCOCC2)CCCC1 ZINC001444006931 1066393886 /nfs/dbraw/zinc/39/38/86/1066393886.db2.gz ZZHXZGALOKEJDG-CQSZACIVSA-N 0 0 454.423 4.880 20 0 JJADRN C[C@H](NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1)C1(N2CCOCC2)CCCC1 ZINC001444006922 1066394089 /nfs/dbraw/zinc/39/40/89/1066394089.db2.gz ZZHXZGALOKEJDG-AWEZNQCLSA-N 0 0 454.423 4.880 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001455461601 1066394005 /nfs/dbraw/zinc/39/40/05/1066394005.db2.gz MDHOAZVUBKKBKH-OYHNWAKOSA-N 0 0 455.020 4.693 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001455462063 1066394160 /nfs/dbraw/zinc/39/41/60/1066394160.db2.gz FRWVNCRYSYQDQL-HTAPYJJXSA-N 0 0 456.587 4.514 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@H](C)C2)c(Cl)cc1Cl ZINC001455467438 1066394571 /nfs/dbraw/zinc/39/45/71/1066394571.db2.gz FHYIXFHHLJHFNX-CQSZACIVSA-N 0 0 455.407 4.687 20 0 JJADRN Cc1ccc(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1-c1ccsc1 ZINC001455465943 1066394651 /nfs/dbraw/zinc/39/46/51/1066394651.db2.gz WDZKIWGKDCPWLD-NRFANRHFSA-N 0 0 459.612 4.718 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC001444018390 1066394759 /nfs/dbraw/zinc/39/47/59/1066394759.db2.gz CLVWMIKQUMBCIC-UHFFFAOYSA-N 0 0 454.929 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)CCCC[C@H]12 ZINC001455464312 1066394856 /nfs/dbraw/zinc/39/48/56/1066394856.db2.gz LMBMKLCILUTBSF-YADARESESA-N 0 0 464.006 4.675 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361130214 1066394971 /nfs/dbraw/zinc/39/49/71/1066394971.db2.gz KJZQHQXIPJTMOR-HHHXNRCGSA-N 0 0 470.658 4.967 20 0 JJADRN CC(C)c1cc([C@@H]2CCCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)C2)[nH]n1 ZINC001455471617 1066395421 /nfs/dbraw/zinc/39/54/21/1066395421.db2.gz XXYFFAMBIYAUAR-QGZVFWFLSA-N 0 0 458.632 4.557 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001444024885 1066395717 /nfs/dbraw/zinc/39/57/17/1066395717.db2.gz UXJAWUCJKAXKLK-IBGZPJMESA-N 0 0 452.913 4.727 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444023743 1066395739 /nfs/dbraw/zinc/39/57/39/1066395739.db2.gz SYGHXHSDIVRNKA-SFHVURJKSA-N 0 0 454.567 4.748 20 0 JJADRN C[C@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455474252 1066396041 /nfs/dbraw/zinc/39/60/41/1066396041.db2.gz RPXAYEARGLGCKI-RCDICMHDSA-N 0 0 450.988 4.795 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361130794 1066396099 /nfs/dbraw/zinc/39/60/99/1066396099.db2.gz RINSOCKBBGFPDS-SANMLTNESA-N 0 0 492.668 4.659 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361130800 1066396246 /nfs/dbraw/zinc/39/62/46/1066396246.db2.gz RMHJIKRJMRNJAH-OALUTQOASA-N 0 0 465.564 4.629 20 0 JJADRN O=C(Nc1ccccc1NC1CCCCC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001455482232 1066396268 /nfs/dbraw/zinc/39/62/68/1066396268.db2.gz RSLNLIIAXBRPOW-GOSISDBHSA-N 0 0 455.986 4.951 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCCCO2)c1 ZINC001361130916 1066396640 /nfs/dbraw/zinc/39/66/40/1066396640.db2.gz SCOUSCCBBWNJLV-RTWAWAEBSA-N 0 0 456.631 4.862 20 0 JJADRN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001361130886 1066396704 /nfs/dbraw/zinc/39/67/04/1066396704.db2.gz ZNZVSVXJVYYUMS-IBGZPJMESA-N 0 0 456.388 4.688 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2[C@@H]2C[C@H]2CF)c1 ZINC001361131028 1066397286 /nfs/dbraw/zinc/39/72/86/1066397286.db2.gz VWRNWZNKWTUZKB-WSTZPKSXSA-N 0 0 483.554 4.892 20 0 JJADRN CC(C)(CNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC001444043262 1066397336 /nfs/dbraw/zinc/39/73/36/1066397336.db2.gz XLBBSECZFOFPAS-UHFFFAOYSA-N 0 0 457.603 4.953 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)NCC(C)(C)Cc4ccccc4)cc3C2=O)cc1 ZINC001444042778 1066397355 /nfs/dbraw/zinc/39/73/55/1066397355.db2.gz VTCMBPKCOZJCAO-UHFFFAOYSA-N 0 0 456.542 4.885 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1O)c1ccccc1 ZINC001444040909 1066397401 /nfs/dbraw/zinc/39/74/01/1066397401.db2.gz RXUSDEZYWQSMTN-SANMLTNESA-N 0 0 452.554 4.869 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)s1 ZINC001455495946 1066398118 /nfs/dbraw/zinc/39/81/18/1066398118.db2.gz BPTLBWFCHVQAAM-VVLHAWIVSA-N 0 0 453.674 4.961 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)c1 ZINC001444061915 1066398288 /nfs/dbraw/zinc/39/82/88/1066398288.db2.gz BCKGOTOXXHVDLA-GFJKYASSSA-N 0 0 456.608 4.720 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)c1 ZINC001444061924 1066398356 /nfs/dbraw/zinc/39/83/56/1066398356.db2.gz BCKGOTOXXHVDLA-MNAQKMTRSA-N 0 0 456.608 4.720 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001455501902 1066398508 /nfs/dbraw/zinc/39/85/08/1066398508.db2.gz PLJBHUPXPJYCOL-BBWFWOEESA-N 0 0 453.674 4.646 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c(Cl)c1 ZINC001455500462 1066398772 /nfs/dbraw/zinc/39/87/72/1066398772.db2.gz GJOJTWRRHOXTQU-UEDWGHLCSA-N 0 0 452.776 4.736 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N[C@H](c3ccccc3)C3CCOCC3)cc21 ZINC001444067220 1066398954 /nfs/dbraw/zinc/39/89/54/1066398954.db2.gz JXQSLHPIEHLTIG-RUZDIDTESA-N 0 0 450.579 4.811 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSCC3)n2Cc2ccncc2Cl)c1 ZINC001361131352 1066399018 /nfs/dbraw/zinc/39/90/18/1066399018.db2.gz FZIVIZFCUXUPGK-UHFFFAOYSA-N 0 0 458.031 4.939 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1C[C@@H](C)c1ccc(C)cc1 ZINC001361131486 1066399426 /nfs/dbraw/zinc/39/94/26/1066399426.db2.gz JJFNWCINBIBILF-LJQANCHMSA-N 0 0 468.671 4.751 20 0 JJADRN Cc1cc(C=O)c(O)c(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507727 1066399623 /nfs/dbraw/zinc/39/96/23/1066399623.db2.gz AIEFLYROTAFLTE-PGRDOPGGSA-N 0 0 458.599 4.839 20 0 JJADRN CC[C@@H](NC(=O)c1cnc(C)nc1N)c1ccccc1OCc1ccccc1Br ZINC001444073114 1066400229 /nfs/dbraw/zinc/40/02/29/1066400229.db2.gz SJRPBNNTCLVOOH-LJQANCHMSA-N 0 0 455.356 4.590 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NCc1cccc(O)c1 ZINC001444076514 1066400300 /nfs/dbraw/zinc/40/03/00/1066400300.db2.gz IFTVDBYJFIGWNU-UHFFFAOYSA-N 0 0 450.951 4.702 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)c21 ZINC001361131918 1066400613 /nfs/dbraw/zinc/40/06/13/1066400613.db2.gz COMXHSUAKBARPS-UHFFFAOYSA-N 0 0 458.518 4.932 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)n1 ZINC001361131911 1066400631 /nfs/dbraw/zinc/40/06/31/1066400631.db2.gz CIEUFGWUXMDZAC-UHFFFAOYSA-N 0 0 457.328 4.544 20 0 JJADRN C[C@@H]1CCc2[nH]nc(C(=O)N3CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001455510111 1066401645 /nfs/dbraw/zinc/40/16/45/1066401645.db2.gz MQVBDFBQBBIXFW-JBYIUTFZSA-N 0 0 458.647 4.860 20 0 JJADRN C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444082348 1066401539 /nfs/dbraw/zinc/40/15/39/1066401539.db2.gz PGSCGJXULBFLCB-INIZCTEOSA-N 0 0 451.473 4.961 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC001444081310 1066401737 /nfs/dbraw/zinc/40/17/37/1066401737.db2.gz NEMPUYBFUKOKNK-DEOSSOPVSA-N 0 0 452.549 4.985 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)[nH]n1 ZINC001444081433 1066401868 /nfs/dbraw/zinc/40/18/68/1066401868.db2.gz OASYWOKGDBCWDF-HSZRJFAPSA-N 0 0 454.521 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)C1 ZINC001444083362 1066402271 /nfs/dbraw/zinc/40/22/71/1066402271.db2.gz PIGQDNBVGHGBFV-SJLPKXTDSA-N 0 0 453.624 4.742 20 0 JJADRN CCCCCOc1ccc(C(=O)CCC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1 ZINC001455516036 1066402296 /nfs/dbraw/zinc/40/22/96/1066402296.db2.gz LJTDWXXQYKMOAX-KDYSTLNUSA-N 0 0 472.626 4.934 20 0 JJADRN COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCC(F)F)cc(OC)c1OC ZINC001361132666 1066403211 /nfs/dbraw/zinc/40/32/11/1066403211.db2.gz AIVYWKUCSQOGMM-XNTDXEJSSA-N 0 0 454.473 4.742 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001455518268 1066403438 /nfs/dbraw/zinc/40/34/38/1066403438.db2.gz SDBYOTULCPJEGC-SJLPKXTDSA-N 0 0 458.521 4.777 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC001361132493 1066403340 /nfs/dbraw/zinc/40/33/40/1066403340.db2.gz ZJTXZHHRGBQIPK-PKOBYXMFSA-N 0 0 488.057 4.821 20 0 JJADRN CSC1(CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CCOCC1 ZINC001361133039 1066403945 /nfs/dbraw/zinc/40/39/45/1066403945.db2.gz FXVJIRNEMISTOL-IBGZPJMESA-N 0 0 450.398 4.598 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)o2)cc1 ZINC001455530132 1066404900 /nfs/dbraw/zinc/40/49/00/1066404900.db2.gz HHTMUTMLHZMWCO-FCEUIQTBSA-N 0 0 452.595 4.516 20 0 JJADRN O=C(NCC1(n2cc(Br)cn2)CC1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001455532125 1066404956 /nfs/dbraw/zinc/40/49/56/1066404956.db2.gz JSDVLQWYGGWVJW-UHFFFAOYSA-N 0 0 452.761 4.962 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361133934 1066404951 /nfs/dbraw/zinc/40/49/51/1066404951.db2.gz DNWIZQCPVVKCGS-OAQYLSRUSA-N 0 0 490.652 4.870 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC001361134099 1066405567 /nfs/dbraw/zinc/40/55/67/1066405567.db2.gz GLXJJDSLTDVKHZ-GOSISDBHSA-N 0 0 483.542 4.765 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545964431 1066406655 /nfs/dbraw/zinc/40/66/55/1066406655.db2.gz DKEVCCLLDPNACO-MRXNPFEDSA-N 0 0 451.015 4.779 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1)OC ZINC001545964437 1066406728 /nfs/dbraw/zinc/40/67/28/1066406728.db2.gz DOCZLSAOLCBJSE-WBVHZDCISA-N 0 0 463.413 4.794 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C[S@](C)=O)c2C)cc1 ZINC001444106105 1066406756 /nfs/dbraw/zinc/40/67/56/1066406756.db2.gz YPBTWJQMNVIFBF-XIFFEERXSA-N 0 0 459.571 4.987 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C[S@@](C)=O)c2C)cc1 ZINC001444106101 1066406868 /nfs/dbraw/zinc/40/68/68/1066406868.db2.gz YPBTWJQMNVIFBF-MGBGTMOVSA-N 0 0 459.571 4.987 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCC2(CCOCC2)C1)OC ZINC001545964433 1066406883 /nfs/dbraw/zinc/40/68/83/1066406883.db2.gz DKHPFNJEPLZBPK-QGZVFWFLSA-N 0 0 481.410 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)(c2ccccc2)CC1 ZINC001444115287 1066407775 /nfs/dbraw/zinc/40/77/75/1066407775.db2.gz KFHNCBOGDXEWFH-RBBKRZOGSA-N 0 0 458.643 4.913 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N[C@H](C)c3cc(Cl)cc(Cl)c3F)c2)cc1 ZINC001455541601 1066407690 /nfs/dbraw/zinc/40/76/90/1066407690.db2.gz IKXGMCSDMYAZPY-CYBMUJFWSA-N 0 0 455.338 4.970 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001361134833 1066407814 /nfs/dbraw/zinc/40/78/14/1066407814.db2.gz IAMWOKOXAQYOIH-KBMIEXCESA-N 0 0 469.655 4.832 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CC=C(C(C)(C)C)CC2)N2CCOCC2)cc1 ZINC001361135162 1066408435 /nfs/dbraw/zinc/40/84/35/1066408435.db2.gz KIZPQAMSAFTHBF-XMMPIXPASA-N 0 0 451.659 4.966 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001361135063 1066408653 /nfs/dbraw/zinc/40/86/53/1066408653.db2.gz OVZHQCJGXQHJIH-LVCYWYKZSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCOC3CCCCCC3)cc2Br)on1 ZINC001444115999 1066408573 /nfs/dbraw/zinc/40/85/73/1066408573.db2.gz DEVMIPDIJSOINT-UHFFFAOYSA-N 0 0 451.361 4.794 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001444117430 1066408593 /nfs/dbraw/zinc/40/85/93/1066408593.db2.gz FNCQANWHNKUCKC-KXBFYZLASA-N 0 0 453.576 4.993 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cc2ccccc2)ccc1O ZINC001444119766 1066408634 /nfs/dbraw/zinc/40/86/34/1066408634.db2.gz PDCZMRPVKYPQIA-LJQANCHMSA-N 0 0 456.464 4.890 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1)OCC3 ZINC001455545497 1066408842 /nfs/dbraw/zinc/40/88/42/1066408842.db2.gz NDTKCOWIGTVDCD-HFXUHXBXSA-N 0 0 452.517 4.915 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C)Oc1cccc(F)c1 ZINC001545964516 1066409452 /nfs/dbraw/zinc/40/94/52/1066409452.db2.gz FZRGJZPHFAZHBS-FQEVSTJZSA-N 0 0 483.979 4.669 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@H](O)c1ccccc1 ZINC001455547729 1066409538 /nfs/dbraw/zinc/40/95/38/1066409538.db2.gz QMEXRVLDSPYVJF-MOPGFXCFSA-N 0 0 455.908 4.599 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc(C)c1OCc1cccnc1 ZINC001455557633 1066409565 /nfs/dbraw/zinc/40/95/65/1066409565.db2.gz CNHHQZHEIMOSKL-XZOQPEGZSA-N 0 0 450.579 4.717 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCOC)C1 ZINC001546073673 1066409614 /nfs/dbraw/zinc/40/96/14/1066409614.db2.gz XHKIQSCFYYYZRR-VWLOTQADSA-N 0 0 463.667 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2ccc(C)cc2)o1 ZINC001361136218 1066410184 /nfs/dbraw/zinc/41/01/84/1066410184.db2.gz WCPDTPCNBWDLTB-ILWGZMRPSA-N 0 0 451.615 4.504 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(F)(F)F)CC2)cc1 ZINC001361136227 1066410300 /nfs/dbraw/zinc/41/03/00/1066410300.db2.gz WGFLVBPTTNTOCE-GOSISDBHSA-N 0 0 463.573 4.727 20 0 JJADRN 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Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3[C@@H]4CCC[C@@H]43)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361144630 1066426966 /nfs/dbraw/zinc/42/69/66/1066426966.db2.gz KNDXZJUMBAGVQM-NPHXMPSESA-N 0 0 469.630 4.576 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546075348 1066427365 /nfs/dbraw/zinc/42/73/65/1066427365.db2.gz MHYMPQYKPCAVAQ-QHCPKHFHSA-N 0 0 481.563 4.794 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546075374 1066427545 /nfs/dbraw/zinc/42/75/45/1066427545.db2.gz MZLACBJHDOVSPT-MWTRTKDXSA-N 0 0 462.664 4.516 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(Br)cn2)C1 ZINC001546075311 1066427559 /nfs/dbraw/zinc/42/75/59/1066427559.db2.gz LPHJOPLTVMHRJT-JOCHJYFZSA-N 0 0 475.410 4.684 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001361145104 1066427439 /nfs/dbraw/zinc/42/74/39/1066427439.db2.gz PDUPZABBFJGEQY-HSZRJFAPSA-N 0 0 496.700 4.820 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)o1 ZINC001361145062 1066427459 /nfs/dbraw/zinc/42/74/59/1066427459.db2.gz YBYFBPBWRXYGOR-WEVVVXLNSA-N 0 0 452.463 4.815 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCC(C)CC3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361144973 1066427494 /nfs/dbraw/zinc/42/74/94/1066427494.db2.gz NMESUADVOLFIMZ-UHFFFAOYSA-N 0 0 476.687 4.702 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1)NC(=O)OC(C)(C)C ZINC001545965561 1066427481 /nfs/dbraw/zinc/42/74/81/1066427481.db2.gz ZOIWVMNEDHOLEA-MRXNPFEDSA-N 0 0 496.425 4.996 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)cc1 ZINC001455762420 1066428361 /nfs/dbraw/zinc/42/83/61/1066428361.db2.gz BVNRQIUYKLYIHV-SFHVURJKSA-N 0 0 458.484 4.705 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)cc1 ZINC001455762412 1066428451 /nfs/dbraw/zinc/42/84/51/1066428451.db2.gz BVNRQIUYKLYIHV-GOSISDBHSA-N 0 0 458.484 4.705 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001546075870 1066429014 /nfs/dbraw/zinc/42/90/14/1066429014.db2.gz WXJTZWFQTSWPBN-QFIPXVFZSA-N 0 0 495.500 4.694 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001546075936 1066429807 /nfs/dbraw/zinc/42/98/07/1066429807.db2.gz YIVZYPJBFUOYOE-OAQYLSRUSA-N 0 0 455.594 4.831 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](O)c2c(F)cccc2F)c1 ZINC001455774381 1066429965 /nfs/dbraw/zinc/42/99/65/1066429965.db2.gz XSSXAHUCFDLJKZ-QFIPXVFZSA-N 0 0 451.448 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC001455787225 1066430672 /nfs/dbraw/zinc/43/06/72/1066430672.db2.gz HOAGXPJJPIAMLP-FQEVSTJZSA-N 0 0 459.484 4.567 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cncc(C(F)(F)F)c1 ZINC001455791780 1066431553 /nfs/dbraw/zinc/43/15/53/1066431553.db2.gz IZWYFZZOXXWSEI-UHFFFAOYSA-N 0 0 457.880 4.921 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2CC=CCC2)c1 ZINC001361146032 1066431696 /nfs/dbraw/zinc/43/16/96/1066431696.db2.gz PIAGVNPHELYGEN-XMMPIXPASA-N 0 0 481.685 4.625 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2nccs2)c1 ZINC001361146223 1066432438 /nfs/dbraw/zinc/43/24/38/1066432438.db2.gz WPFOUJQVIRQLMI-UHFFFAOYSA-N 0 0 469.014 4.858 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001444246497 1066432870 /nfs/dbraw/zinc/43/28/70/1066432870.db2.gz CZBVVTFZGLMCQJ-FQEVSTJZSA-N 0 0 452.555 4.768 20 0 JJADRN COc1cc(/C=C(/C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)ccc1O ZINC001444243554 1066432965 /nfs/dbraw/zinc/43/29/65/1066432965.db2.gz VLBDJJYIKLNVSL-ALDSOSFCSA-N 0 0 454.567 4.561 20 0 JJADRN C[C@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)CN(C)C(=O)OC(C)(C)C ZINC001444242501 1066433000 /nfs/dbraw/zinc/43/30/00/1066433000.db2.gz RQDMZEIVMCKUHX-LJQANCHMSA-N 0 0 450.583 4.577 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)no1 ZINC001361148112 1066432941 /nfs/dbraw/zinc/43/29/41/1066432941.db2.gz ADXBREUNYFDCRD-LJQANCHMSA-N 0 0 498.628 4.662 20 0 JJADRN C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc(F)cc1 ZINC001361147724 1066432958 /nfs/dbraw/zinc/43/29/58/1066432958.db2.gz QABOIQNWTRVMGE-SBUREZEXSA-N 0 0 454.929 4.924 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001444247145 1066433727 /nfs/dbraw/zinc/43/37/27/1066433727.db2.gz IELWTZQWAUIZDT-ONTIZHBOSA-N 0 0 458.647 4.693 20 0 JJADRN Cc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)nn1-c1ccc(Cl)cc1Cl ZINC001546076452 1066433887 /nfs/dbraw/zinc/43/38/87/1066433887.db2.gz PSUJGIMVMDVCLK-UHFFFAOYSA-N 0 0 453.370 4.665 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2(C)CCCO2)c1 ZINC001361148248 1066434243 /nfs/dbraw/zinc/43/42/43/1066434243.db2.gz FNCAMQUPOCHIAV-SANMLTNESA-N 0 0 464.614 4.593 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2nccs2)cnn1CC(C)C ZINC001361148249 1066434313 /nfs/dbraw/zinc/43/43/13/1066434313.db2.gz FNJWKQVOZLNJIO-UHFFFAOYSA-N 0 0 479.654 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC001444247951 1066434411 /nfs/dbraw/zinc/43/44/11/1066434411.db2.gz LVRIWLLKMTXCQG-GOSISDBHSA-N 0 0 451.405 4.777 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCOC3=O)cc2)C1 ZINC001455808267 1066434358 /nfs/dbraw/zinc/43/43/58/1066434358.db2.gz NEMRYRUSZLGZKZ-GOSISDBHSA-N 0 0 450.535 4.584 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001444248685 1066434511 /nfs/dbraw/zinc/43/45/11/1066434511.db2.gz PFONIYMEQXUPNK-QGZVFWFLSA-N 0 0 453.421 4.842 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2Cc2nc(C)c(C)s2)s1 ZINC001361148522 1066435223 /nfs/dbraw/zinc/43/52/23/1066435223.db2.gz NLEKFIVKBXEPJI-UHFFFAOYSA-N 0 0 468.652 4.997 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001444250074 1066435236 /nfs/dbraw/zinc/43/52/36/1066435236.db2.gz VAQQOCCAOIQURQ-APWZRJJASA-N 0 0 457.546 4.946 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC001444254567 1066435647 /nfs/dbraw/zinc/43/56/47/1066435647.db2.gz RCBKRMAQSFXIFW-UHFFFAOYSA-N 0 0 453.955 4.601 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC001444254711 1066435788 /nfs/dbraw/zinc/43/57/88/1066435788.db2.gz HVCGEAMIUQHGDU-HXUWFJFHSA-N 0 0 453.922 4.614 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)c(Br)c1 ZINC001444254819 1066435905 /nfs/dbraw/zinc/43/59/05/1066435905.db2.gz CTROOFNESCRQNB-GOSISDBHSA-N 0 0 457.384 4.801 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)CSc2nc3ccccc3[nH]2)C1 ZINC001455811465 1066436018 /nfs/dbraw/zinc/43/60/18/1066436018.db2.gz ZJFXRXDMLIZFJR-KRWDZBQOSA-N 0 0 451.592 4.982 20 0 JJADRN CC[C@](C)(NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1nc(C)cs1 ZINC001444257601 1066436620 /nfs/dbraw/zinc/43/66/20/1066436620.db2.gz DLQHRCCANMITED-QHCPKHFHSA-N 0 0 457.621 4.924 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455812800 1066436609 /nfs/dbraw/zinc/43/66/09/1066436609.db2.gz LTFVZHPPOPDPED-XRXFAXGQSA-N 0 0 481.678 4.669 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001455815945 1066436662 /nfs/dbraw/zinc/43/66/62/1066436662.db2.gz AKSIASXUCNXUFN-OAHLLOKOSA-N 0 0 453.370 4.617 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC001455817797 1066437513 /nfs/dbraw/zinc/43/75/13/1066437513.db2.gz FAQGZABQPBUEKG-RUZDIDTESA-N 0 0 458.489 4.564 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC001455817334 1066437631 /nfs/dbraw/zinc/43/76/31/1066437631.db2.gz MUEVBDFFOLTHBQ-OAHLLOKOSA-N 0 0 453.370 4.617 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CSc2nc3ccccc3[nH]2)n1C ZINC001444261215 1066437682 /nfs/dbraw/zinc/43/76/82/1066437682.db2.gz KLYITLLNCGESFK-UHFFFAOYSA-N 0 0 456.369 4.765 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1ccccc1 ZINC001444262012 1066437783 /nfs/dbraw/zinc/43/77/83/1066437783.db2.gz RVRHEZWZSJCRMM-JOCHJYFZSA-N 0 0 459.933 4.879 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361148885 1066438029 /nfs/dbraw/zinc/43/80/29/1066438029.db2.gz ABRHNVFCHXIRGH-UHFFFAOYSA-N 0 0 469.630 4.575 20 0 JJADRN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)[nH]c1=O ZINC001455821663 1066438229 /nfs/dbraw/zinc/43/82/29/1066438229.db2.gz AZSUYNMVTJDGFQ-OPAMFIHVSA-N 0 0 453.583 4.816 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cccc(Nc4cccc(C)c4)c3C)CC2=O)cc1 ZINC001455820948 1066438279 /nfs/dbraw/zinc/43/82/79/1066438279.db2.gz BWQJJWDHEGBXBQ-HXUWFJFHSA-N 0 0 456.546 4.997 20 0 JJADRN Nc1cc(Br)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1N ZINC001444262861 1066438478 /nfs/dbraw/zinc/43/84/78/1066438478.db2.gz OKXXSLFIXDLOQW-UHFFFAOYSA-N 0 0 459.731 4.772 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361149221 1066438680 /nfs/dbraw/zinc/43/86/80/1066438680.db2.gz MSDDCPCYXXUTDI-LJQANCHMSA-N 0 0 475.515 4.551 20 0 JJADRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl ZINC001455825684 1066438676 /nfs/dbraw/zinc/43/86/76/1066438676.db2.gz WANPINLZLNELBY-QISBLDNZSA-N 0 0 453.391 4.816 20 0 JJADRN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001455822804 1066438886 /nfs/dbraw/zinc/43/88/86/1066438886.db2.gz DLXHOCHIOBCLQF-YJYMSZOUSA-N 0 0 454.398 4.823 20 0 JJADRN CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CC1 ZINC001444265682 1066439085 /nfs/dbraw/zinc/43/90/85/1066439085.db2.gz PYJRKKPAHJHXPH-UHFFFAOYSA-N 0 0 451.386 4.767 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C ZINC001444268703 1066439761 /nfs/dbraw/zinc/43/97/61/1066439761.db2.gz WXYHUQBXJVYDOM-UHFFFAOYSA-N 0 0 450.340 4.904 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1Br ZINC001444270539 1066441085 /nfs/dbraw/zinc/44/10/85/1066441085.db2.gz HOEQUUCVTMUCEH-OAHLLOKOSA-N 0 0 458.356 4.760 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccs2)c1 ZINC001361151040 1066441320 /nfs/dbraw/zinc/44/13/20/1066441320.db2.gz AOHCBMAKCYGDKZ-TZIWHRDSSA-N 0 0 497.665 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361151075 1066441402 /nfs/dbraw/zinc/44/14/02/1066441402.db2.gz BHJOYFLGSCBMHK-QRICJDHISA-N 0 0 496.574 4.691 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](O)Cc2ccccc2F)cc1C ZINC001455846419 1066441275 /nfs/dbraw/zinc/44/12/75/1066441275.db2.gz OJFONZQQZSLOIH-XMMPIXPASA-N 0 0 457.549 4.688 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC001455852309 1066441310 /nfs/dbraw/zinc/44/13/10/1066441310.db2.gz DEZUAIUWDHISEK-NRFANRHFSA-N 0 0 454.636 4.735 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H]2CCCSC2)c1 ZINC001361151191 1066441923 /nfs/dbraw/zinc/44/19/23/1066441923.db2.gz DRKMVSNINYZKOD-GOSISDBHSA-N 0 0 496.599 4.965 20 0 JJADRN COc1cc2c(cc1O)CCN(C(=O)c1csc(-c3cc(Br)cs3)n1)C2 ZINC001455858010 1066441940 /nfs/dbraw/zinc/44/19/40/1066441940.db2.gz FLXHXSPOSBRSCV-UHFFFAOYSA-N 0 0 451.367 4.547 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 ZINC001361151243 1066442039 /nfs/dbraw/zinc/44/20/39/1066442039.db2.gz FSOZXPFAJMURQM-SEDAZVQISA-N 0 0 458.672 4.865 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 ZINC001444276615 1066442162 /nfs/dbraw/zinc/44/21/62/1066442162.db2.gz YFWZRMRPYHSSCQ-FGZHOGPDSA-N 0 0 451.592 4.573 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC001455852311 1066442179 /nfs/dbraw/zinc/44/21/79/1066442179.db2.gz DEZUAIUWDHISEK-OAQYLSRUSA-N 0 0 454.636 4.735 20 0 JJADRN COC(=O)C[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1CCCC1 ZINC001455865837 1066442618 /nfs/dbraw/zinc/44/26/18/1066442618.db2.gz ZPWFWLAFKLINDI-SFHVURJKSA-N 0 0 455.605 4.689 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccccc1Sc1ccc(Br)cn1)CC(C)C ZINC001444278381 1066442623 /nfs/dbraw/zinc/44/26/23/1066442623.db2.gz IFBNHSXQFJGETC-CQSZACIVSA-N 0 0 451.386 4.560 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C12CCC2 ZINC001444277594 1066442729 /nfs/dbraw/zinc/44/27/29/1066442729.db2.gz HVMYZHBTTCCDEZ-PMACEKPBSA-N 0 0 457.368 4.779 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1CCCC1 ZINC001455865835 1066442698 /nfs/dbraw/zinc/44/26/98/1066442698.db2.gz ZPWFWLAFKLINDI-GOSISDBHSA-N 0 0 455.605 4.689 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCOC[C@@H]2CCCO2)c1 ZINC001361151549 1066443183 /nfs/dbraw/zinc/44/31/83/1066443183.db2.gz JVXUKAGNZGNTCD-PUHATCMVSA-N 0 0 456.631 4.684 20 0 JJADRN Cn1ncc(Br)c1CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444284214 1066443235 /nfs/dbraw/zinc/44/32/35/1066443235.db2.gz TVDWMFRQTWHZAT-UHFFFAOYSA-N 0 0 454.250 4.521 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCCOC[C@@H]2CCCO2)c1 ZINC001361151548 1066443278 /nfs/dbraw/zinc/44/32/78/1066443278.db2.gz JVXUKAGNZGNTCD-MZYLBHOOSA-N 0 0 456.631 4.684 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001546077004 1066443348 /nfs/dbraw/zinc/44/33/48/1066443348.db2.gz FEDVUGPGFQYFMA-VAPDBKPJSA-N 0 0 491.076 4.929 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2nc3ccccc3n2-c2ccccc2OC)cc1OC ZINC001444287505 1066443493 /nfs/dbraw/zinc/44/34/93/1066443493.db2.gz WPRBZBVCVFPGEI-UHFFFAOYSA-N 0 0 459.502 4.653 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)c2cccs2)c1 ZINC001361151680 1066443859 /nfs/dbraw/zinc/44/38/59/1066443859.db2.gz DIIWJGYYKNRDRS-UHFFFAOYSA-N 0 0 481.666 4.605 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455871693 1066444070 /nfs/dbraw/zinc/44/40/70/1066444070.db2.gz IDBPXPSQYAGSMP-CGTJXYLNSA-N 0 0 458.521 4.800 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444288518 1066444084 /nfs/dbraw/zinc/44/40/84/1066444084.db2.gz ZVNAGAWZTPGQMY-QGZVFWFLSA-N 0 0 452.502 4.874 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)OC ZINC001545966608 1066444118 /nfs/dbraw/zinc/44/41/18/1066444118.db2.gz HLQBGWSSYQUMTL-CZTZKLFOSA-N 0 0 487.645 4.508 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCc2ccc(F)c3c2CCCC3)C[C@H]1C(F)(F)F ZINC001455876562 1066444681 /nfs/dbraw/zinc/44/46/81/1066444681.db2.gz IFOZZEWHTRCVCY-IEBWSBKVSA-N 0 0 458.496 4.551 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)NC2CCCCC2)C1 ZINC001546077072 1066444721 /nfs/dbraw/zinc/44/47/21/1066444721.db2.gz GGSHECIDOBWMNQ-MHZLTWQESA-N 0 0 467.658 4.537 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCCCCC2=O)C1 ZINC001546077058 1066444787 /nfs/dbraw/zinc/44/47/87/1066444787.db2.gz GAKQMHLUJKCUMC-MHZLTWQESA-N 0 0 451.659 4.873 20 0 JJADRN 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Cc1csc(C[C@@H]2CCCN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)n1 ZINC001455887351 1066446190 /nfs/dbraw/zinc/44/61/90/1066446190.db2.gz JBINSEFIYSIXKP-HOCLYGCPSA-N 0 0 452.407 4.593 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)C2)n1 ZINC001455886873 1066446238 /nfs/dbraw/zinc/44/62/38/1066446238.db2.gz IHJPHZKQTWEDSS-QFIPXVFZSA-N 0 0 450.604 4.933 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001444316392 1066446584 /nfs/dbraw/zinc/44/65/84/1066446584.db2.gz CESRKFRPBGFGRD-VBKZILBWSA-N 0 0 453.951 4.582 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)C12CCCCC2 ZINC001444314334 1066446710 /nfs/dbraw/zinc/44/67/10/1066446710.db2.gz XPNFGSFPRQBGRX-MOPGFXCFSA-N 0 0 450.505 4.511 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)c1 ZINC001455889546 1066446794 /nfs/dbraw/zinc/44/67/94/1066446794.db2.gz MZOMZPCBSVVSAW-SFHVURJKSA-N 0 0 453.587 4.552 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC(F)(F)F)c1 ZINC001361152841 1066447260 /nfs/dbraw/zinc/44/72/60/1066447260.db2.gz RMZJXBCRCXKJIN-LJQANCHMSA-N 0 0 480.453 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@]2(C)CCCS2)c1 ZINC001361152842 1066447328 /nfs/dbraw/zinc/44/73/28/1066447328.db2.gz XJAPONVRIJCHRK-KPLVRAHFSA-N 0 0 484.588 4.916 20 0 JJADRN CCCN(C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444317073 1066447364 /nfs/dbraw/zinc/44/73/64/1066447364.db2.gz ACTDRCDWVBNIEO-FGZHOGPDSA-N 0 0 451.567 4.630 20 0 JJADRN CC[C@H](NC(=O)c1cccn2c(I)cnc12)c1cccc2ccccc21 ZINC001455893040 1066447289 /nfs/dbraw/zinc/44/72/89/1066447289.db2.gz WAOWQDMBVGKTQM-SFHVURJKSA-N 0 0 455.299 4.973 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCC(Nc4ccccn4)CC3)c2)cc1 ZINC001455896034 1066447458 /nfs/dbraw/zinc/44/74/58/1066447458.db2.gz XVGUIQDFDMXUGI-UHFFFAOYSA-N 0 0 457.574 4.899 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CCSCC(C)C)c1 ZINC001361152980 1066447899 /nfs/dbraw/zinc/44/78/99/1066447899.db2.gz YIHUPLNCOYKEBO-NVQXNPDNSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001361152969 1066447934 /nfs/dbraw/zinc/44/79/34/1066447934.db2.gz YHQOHDDSVBKFEN-FQEVSTJZSA-N 0 0 455.647 4.509 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3ccc(C)s3)c2)cc1 ZINC001444318708 1066448010 /nfs/dbraw/zinc/44/80/10/1066448010.db2.gz DCFDBCWYXPHNLU-INIZCTEOSA-N 0 0 458.605 4.617 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1F ZINC001444321201 1066448064 /nfs/dbraw/zinc/44/80/64/1066448064.db2.gz GVEYEJHRENDJNA-DENIHFKCSA-N 0 0 457.546 4.632 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)O[C@@H](c3ccc(Br)cc3)C(F)(F)F)C2)c1 ZINC001361153577 1066449948 /nfs/dbraw/zinc/44/99/48/1066449948.db2.gz JSACIXFZKHAVRT-IRXDYDNUSA-N 0 0 458.230 4.798 20 0 JJADRN O=C(N[C@@H](CO)CCc1ccccc1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455910875 1066449991 /nfs/dbraw/zinc/44/99/91/1066449991.db2.gz TYXOHURQKCJVRA-GGAORHGYSA-N 0 0 454.364 4.679 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@@H]1C(F)(F)F)N1CCc2ccc(Br)c(F)c2C1 ZINC001455911783 1066450093 /nfs/dbraw/zinc/45/00/93/1066450093.db2.gz RDGXRDUZDGWERQ-SFHVURJKSA-N 0 0 456.233 4.880 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)C1 ZINC001361153573 1066450115 /nfs/dbraw/zinc/45/01/15/1066450115.db2.gz JQZSWKQNDSJHFR-OXQOHEQNSA-N 0 0 455.860 4.804 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC001444333694 1066450469 /nfs/dbraw/zinc/45/04/69/1066450469.db2.gz DOHKCWZVOARWEX-UHFFFAOYSA-N 0 0 459.537 4.980 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N[C@@H](C)c3cccc(SC(F)(F)F)c3)c(=O)[nH]c21 ZINC001455918919 1066451309 /nfs/dbraw/zinc/45/13/09/1066451309.db2.gz XPEJDKQXFPKESK-GWJCSSMESA-N 0 0 450.486 4.808 20 0 JJADRN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444340534 1066451844 /nfs/dbraw/zinc/45/18/44/1066451844.db2.gz ALLCOFHAVIESKG-KZULUSFZSA-N 0 0 455.477 4.623 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001455927474 1066452343 /nfs/dbraw/zinc/45/23/43/1066452343.db2.gz DSKDJAFVXGSFAT-OAQYLSRUSA-N 0 0 455.327 4.731 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001455927367 1066452431 /nfs/dbraw/zinc/45/24/31/1066452431.db2.gz MDKWTOKAJXMQSZ-DDUZABMNSA-N 0 0 459.414 4.672 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC001444346564 1066452581 /nfs/dbraw/zinc/45/25/81/1066452581.db2.gz MWLHTAIQISDZHB-GOSISDBHSA-N 0 0 459.395 4.571 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)cc1 ZINC001444348977 1066452988 /nfs/dbraw/zinc/45/29/88/1066452988.db2.gz CWNHLFHDJPJECO-UHFFFAOYSA-N 0 0 456.608 4.869 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361155320 1066453573 /nfs/dbraw/zinc/45/35/73/1066453573.db2.gz ANZURLPBCHWCFH-VABKMULXSA-N 0 0 470.658 4.930 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cc1Cl ZINC001444356354 1066453784 /nfs/dbraw/zinc/45/37/84/1066453784.db2.gz HSJPPKKSVMWWFM-NRFANRHFSA-N 0 0 456.015 4.751 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1csc(CO)n1 ZINC001455930937 1066453900 /nfs/dbraw/zinc/45/39/00/1066453900.db2.gz XTROCTPHQYCIKC-UHFFFAOYSA-N 0 0 451.317 4.602 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CCCn2cc(Br)cn2)C1 ZINC001546077687 1066453922 /nfs/dbraw/zinc/45/39/22/1066453922.db2.gz UAMFXBLSUGJPOJ-HSZRJFAPSA-N 0 0 487.446 4.575 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCSCC(C)C)c1 ZINC001361155399 1066454366 /nfs/dbraw/zinc/45/43/66/1066454366.db2.gz BOKCZBVEZUMMGQ-VXKWHMMOSA-N 0 0 458.672 4.868 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCSCC(C)C)c1 ZINC001361155397 1066454392 /nfs/dbraw/zinc/45/43/92/1066454392.db2.gz BOKCZBVEZUMMGQ-FCHUYYIVSA-N 0 0 458.672 4.868 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cn3)cc2)c1 ZINC001444364370 1066455304 /nfs/dbraw/zinc/45/53/04/1066455304.db2.gz OSTVHBJNRITPSW-UHFFFAOYSA-N 0 0 458.923 4.532 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCOc2ncccc2F)c1 ZINC001361155624 1066455587 /nfs/dbraw/zinc/45/55/87/1066455587.db2.gz FKIQONWTAIHCTM-NRFANRHFSA-N 0 0 497.615 4.871 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001361155775 1066455631 /nfs/dbraw/zinc/45/56/31/1066455631.db2.gz GFVYDEYXAQIXFE-YIXXDRMTSA-N 0 0 480.657 4.536 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361155817 1066456369 /nfs/dbraw/zinc/45/63/69/1066456369.db2.gz ZSSDJDZWRBXKNE-GAJHUEQPSA-N 0 0 465.425 4.924 20 0 JJADRN Cc1c(NC(=O)c2ccc(Br)cc2-n2cncn2)cccc1OCC(F)(F)F ZINC001455939487 1066456401 /nfs/dbraw/zinc/45/64/01/1066456401.db2.gz JQIQFQMYDQZUSJ-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2nccn2C(F)F)c1 ZINC001361155961 1066456816 /nfs/dbraw/zinc/45/68/16/1066456816.db2.gz JQDCBGYKVUZUAK-MRXNPFEDSA-N 0 0 484.473 4.893 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 ZINC001444395682 1066457543 /nfs/dbraw/zinc/45/75/43/1066457543.db2.gz WMYHROXIXHMSHD-MRXNPFEDSA-N 0 0 452.938 4.631 20 0 JJADRN O=C(c1ccccc1CCc1ccccc1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001455947980 1066457694 /nfs/dbraw/zinc/45/76/94/1066457694.db2.gz HLBORZCESBWJAZ-UHFFFAOYSA-N 0 0 450.941 4.863 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 ZINC001455946780 1066457755 /nfs/dbraw/zinc/45/77/55/1066457755.db2.gz BXGUEUBTCAHWOV-AOMKIAJQSA-N 0 0 458.521 4.712 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001361156279 1066458181 /nfs/dbraw/zinc/45/81/81/1066458181.db2.gz RPRPWCICXGBMNV-MZLICYQSSA-N 0 0 496.574 4.573 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2Cc2cccnc2OCC(F)F)c1 ZINC001361156290 1066458224 /nfs/dbraw/zinc/45/82/24/1066458224.db2.gz SANHVWOIBGAPDT-GOSISDBHSA-N 0 0 471.552 4.797 20 0 JJADRN CC(C)(C)c1nc(CN2CCCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)no1 ZINC001444398802 1066458294 /nfs/dbraw/zinc/45/82/94/1066458294.db2.gz FYDVCXZWAJWERX-UHFFFAOYSA-N 0 0 451.036 4.627 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccsc4s3)c2)cc1 ZINC001444402794 1066458822 /nfs/dbraw/zinc/45/88/22/1066458822.db2.gz MJUJOKFAGRNJCF-UHFFFAOYSA-N 0 0 459.574 4.728 20 0 JJADRN Cc1sc(CCNC(=O)c2csc(I)c2)nc1-c1ccccc1 ZINC001444405174 1066459466 /nfs/dbraw/zinc/45/94/66/1066459466.db2.gz PXQNVZPPEPDXNR-UHFFFAOYSA-N 0 0 454.358 4.757 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCC(C)(F)F)C2)no1 ZINC001361156467 1066459432 /nfs/dbraw/zinc/45/94/32/1066459432.db2.gz WEVSHDCKKRBRCG-IBGZPJMESA-N 0 0 474.556 4.670 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455955887 1066459874 /nfs/dbraw/zinc/45/98/74/1066459874.db2.gz LMSFPECJNRTQGB-HSZRJFAPSA-N 0 0 454.364 4.995 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967088 1066459848 /nfs/dbraw/zinc/45/98/48/1066459848.db2.gz PQXKGOLRGBOGCZ-AZUAARDMSA-N 0 0 487.645 4.892 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361156594 1066459951 /nfs/dbraw/zinc/45/99/51/1066459951.db2.gz ZFWKSPDFDYQTED-VXKWHMMOSA-N 0 0 499.725 4.748 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC001455955933 1066460082 /nfs/dbraw/zinc/46/00/82/1066460082.db2.gz MXCLIMRKDJSUSU-UHFFFAOYSA-N 0 0 456.667 4.777 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001455958549 1066460578 /nfs/dbraw/zinc/46/05/78/1066460578.db2.gz UXABZYCDAIKFRO-UHFFFAOYSA-N 0 0 451.876 4.643 20 0 JJADRN O=C(CCCOc1cccc2ccccc21)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001455961096 1066461116 /nfs/dbraw/zinc/46/11/16/1066461116.db2.gz MLLHGMMHKJLCJD-UHFFFAOYSA-N 0 0 454.929 4.776 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NCc2ccccc2CN(C)Cc2ccco2)n1 ZINC001444429337 1066461255 /nfs/dbraw/zinc/46/12/55/1066461255.db2.gz JGUOEKOJCNKIOV-UHFFFAOYSA-N 0 0 457.372 4.518 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC001444433182 1066461410 /nfs/dbraw/zinc/46/14/10/1066461410.db2.gz BLFBRHTYNFUWDP-NSHDSACASA-N 0 0 454.297 4.749 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361158447 1066461393 /nfs/dbraw/zinc/46/13/93/1066461393.db2.gz BCGOMCIITAPGLU-QHCPKHFHSA-N 0 0 497.684 4.518 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(COc3cc(C)ccc3C)n2CCOCC(F)F)o1 ZINC001361158926 1066461706 /nfs/dbraw/zinc/46/17/06/1066461706.db2.gz IRXBQUHRONZWPQ-IBGZPJMESA-N 0 0 460.525 4.999 20 0 JJADRN C[C@@H](c1cccnc1)N1CCN(C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CC1 ZINC001444442457 1066461865 /nfs/dbraw/zinc/46/18/65/1066461865.db2.gz NVWZMFNVRDUUTL-INIZCTEOSA-N 0 0 456.562 4.666 20 0 JJADRN C[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1cccc(Cl)c1Cl ZINC001444442993 1066461919 /nfs/dbraw/zinc/46/19/19/1066461919.db2.gz VDNSNBPKJJLIRQ-QWHCGFSZSA-N 0 0 453.370 4.932 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Oc1cccc(-c2nc3ccccc3n2C)c1 ZINC001455963204 1066461912 /nfs/dbraw/zinc/46/19/12/1066461912.db2.gz ZFLNFVWXKOEGLL-UHFFFAOYSA-N 0 0 452.308 4.934 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCCC(=O)N(C)C)c1 ZINC001361158973 1066462505 /nfs/dbraw/zinc/46/25/05/1066462505.db2.gz KSPKLLNELBBIQX-HHHXNRCGSA-N 0 0 465.642 4.669 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(c4ncccc4F)CC3)n2CCC(C)C)c1 ZINC001361158995 1066462544 /nfs/dbraw/zinc/46/25/44/1066462544.db2.gz LPZQVAIRXGLWMF-UHFFFAOYSA-N 0 0 466.605 4.771 20 0 JJADRN COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC(C)(C)C ZINC001444459518 1066462719 /nfs/dbraw/zinc/46/27/19/1066462719.db2.gz LSEPTNKSYAAARU-KRWDZBQOSA-N 0 0 457.409 4.966 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c2)n1 ZINC001444467643 1066463088 /nfs/dbraw/zinc/46/30/88/1066463088.db2.gz ZPOYROKJBPCQKF-SFHVURJKSA-N 0 0 451.502 4.525 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001444461716 1066463261 /nfs/dbraw/zinc/46/32/61/1066463261.db2.gz VFUFJFQISYDNNX-VWLOTQADSA-N 0 0 451.998 4.846 20 0 JJADRN COc1cc(CNC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)ccc1OCc1cccnc1 ZINC001444467954 1066463324 /nfs/dbraw/zinc/46/33/24/1066463324.db2.gz KDUJVHXMMDEGJP-QGZVFWFLSA-N 0 0 452.938 4.848 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC2=CCCCC2)c1 ZINC001361159405 1066463770 /nfs/dbraw/zinc/46/37/70/1066463770.db2.gz XZNBQGGQCQJJCT-UHFFFAOYSA-N 0 0 465.642 4.669 20 0 JJADRN Cc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)n(-c2nc(C)cc(C)n2)n1 ZINC001455969942 1066463974 /nfs/dbraw/zinc/46/39/74/1066463974.db2.gz YUCZLRDLEUYGHB-UHFFFAOYSA-N 0 0 456.337 4.641 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361159156 1066463967 /nfs/dbraw/zinc/46/39/67/1066463967.db2.gz QJBRYWWKELBKHM-QFIPXVFZSA-N 0 0 499.725 4.700 20 0 JJADRN CCOc1ccc(N(C(=O)c2ccc3cnccc3n2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001455969572 1066464032 /nfs/dbraw/zinc/46/40/32/1066464032.db2.gz FWKAPLJLZILJED-UHFFFAOYSA-N 0 0 458.484 4.702 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)CCC1CC1)NC(=O)OC(C)(C)C ZINC001545967378 1066464380 /nfs/dbraw/zinc/46/43/80/1066464380.db2.gz WIRYRBDDCUUJLR-IBGZPJMESA-N 0 0 471.602 4.604 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@@H](C)C3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361159446 1066464493 /nfs/dbraw/zinc/46/44/93/1066464493.db2.gz ZLIQJTAIGXKIKR-SFHVURJKSA-N 0 0 475.515 4.551 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545967400 1066464479 /nfs/dbraw/zinc/46/44/79/1066464479.db2.gz WTEOBRMLIMONSF-QFUCXCTJSA-N 0 0 455.603 4.636 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(I)ccc2Br)cc1 ZINC001455974089 1066464487 /nfs/dbraw/zinc/46/44/87/1066464487.db2.gz ZBAMVRVXEJPXLE-UONOGXRCSA-N 0 0 472.120 4.805 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(c4nccc(C(C)C)n4)CC3)n2CCC(C)C)c1 ZINC001361159509 1066464525 /nfs/dbraw/zinc/46/45/25/1066464525.db2.gz BAWKUHHIQHSSEJ-UHFFFAOYSA-N 0 0 477.657 4.760 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC001444480312 1066465103 /nfs/dbraw/zinc/46/51/03/1066465103.db2.gz HDDBZYMOLPCOAC-HZAQMHFWSA-N 0 0 450.000 4.903 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)c1 ZINC001361159855 1066465181 /nfs/dbraw/zinc/46/51/81/1066465181.db2.gz MQPQKISYAFANML-UNMCSNQZSA-N 0 0 483.657 4.967 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(C)(C)C2)c1 ZINC001361159810 1066465209 /nfs/dbraw/zinc/46/52/09/1066465209.db2.gz LALRGGPMNVDMSY-UHFFFAOYSA-N 0 0 483.657 4.967 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC001444477286 1066465201 /nfs/dbraw/zinc/46/52/01/1066465201.db2.gz HTLULYHEJDMOSK-PGRDOPGGSA-N 0 0 457.546 4.930 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)CC2=O)cc1C ZINC001455977708 1066465279 /nfs/dbraw/zinc/46/52/79/1066465279.db2.gz OYTRAJNAFOUVQJ-CQSZACIVSA-N 0 0 458.996 4.951 20 0 JJADRN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001455980060 1066465867 /nfs/dbraw/zinc/46/58/67/1066465867.db2.gz ZFDUJCREIXNSQL-UHFFFAOYSA-N 0 0 458.996 4.834 20 0 JJADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC001455978517 1066465932 /nfs/dbraw/zinc/46/59/32/1066465932.db2.gz RKFCGPXGEBGEDB-UHFFFAOYSA-N 0 0 451.878 4.853 20 0 JJADRN C[C@@H](NC(=O)c1cc(F)cc(N2CCOCC2)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455984171 1066466582 /nfs/dbraw/zinc/46/65/82/1066466582.db2.gz KJXMGDAGONWEEJ-GOSISDBHSA-N 0 0 452.501 4.871 20 0 JJADRN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444493139 1066466730 /nfs/dbraw/zinc/46/67/30/1066466730.db2.gz XEVGTROXPMLSMC-DVECYGJZSA-N 0 0 452.551 4.768 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2Cl)cc1 ZINC001444493805 1066467473 /nfs/dbraw/zinc/46/74/73/1066467473.db2.gz YZFCXSVNBIVCML-RUZDIDTESA-N 0 0 450.966 4.700 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455988761 1066467789 /nfs/dbraw/zinc/46/77/89/1066467789.db2.gz WXQRKLDZUIFAAT-GLDPYIMESA-N 0 0 455.574 4.802 20 0 JJADRN Cc1cccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)c1C ZINC001444497898 1066468193 /nfs/dbraw/zinc/46/81/93/1066468193.db2.gz DXYIMUVLZDIQCW-HSZRJFAPSA-N 0 0 454.617 4.821 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)c1 ZINC001455991803 1066468408 /nfs/dbraw/zinc/46/84/08/1066468408.db2.gz QQICZZXDKYOJJJ-SFHVURJKSA-N 0 0 452.624 4.886 20 0 JJADRN O=C(NCCN1C(=O)CCCC1=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001444510339 1066470240 /nfs/dbraw/zinc/47/02/40/1066470240.db2.gz PCDVAHIISPKQFM-UHFFFAOYSA-N 0 0 451.375 4.555 20 0 JJADRN CC(C)N(C)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC001456005841 1066470256 /nfs/dbraw/zinc/47/02/56/1066470256.db2.gz IQRNVAABOPNNCZ-UHFFFAOYSA-N 0 0 458.591 4.905 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001456005414 1066470350 /nfs/dbraw/zinc/47/03/50/1066470350.db2.gz IUEYAFZQNMGHCV-UHFFFAOYSA-N 0 0 450.764 4.705 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2CCC(C)C)c1 ZINC001361162707 1066470841 /nfs/dbraw/zinc/47/08/41/1066470841.db2.gz ROCDXTIYWPXWOW-OAQYLSRUSA-N 0 0 468.602 4.604 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](c4nnc(C(C)C)o4)C3)n2CCC(C)C)c1 ZINC001361162703 1066470873 /nfs/dbraw/zinc/47/08/73/1066470873.db2.gz ROCDXTIYWPXWOW-NRFANRHFSA-N 0 0 468.602 4.604 20 0 JJADRN CCc1ccc(-c2cc(C(=O)N(CC(=O)OC(C)(C)C)c3ccc4c(c3)OCO4)no2)cc1 ZINC001361162627 1066470937 /nfs/dbraw/zinc/47/09/37/1066470937.db2.gz AVZSWLVGSOWQCR-UHFFFAOYSA-N 0 0 450.491 4.621 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)C3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361162968 1066471546 /nfs/dbraw/zinc/47/15/46/1066471546.db2.gz UINCDJPRYJOFKC-UHFFFAOYSA-N 0 0 489.542 4.746 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1 ZINC001444513039 1066471635 /nfs/dbraw/zinc/47/16/35/1066471635.db2.gz XLXGXBYNFJOYBR-RUZDIDTESA-N 0 0 453.514 4.517 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361163106 1066471585 /nfs/dbraw/zinc/47/15/85/1066471585.db2.gz VBRBTLLJAPDHNG-HFMPRLQTSA-N 0 0 470.658 4.929 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012793 1066472631 /nfs/dbraw/zinc/47/26/31/1066472631.db2.gz BNGSOWCXVDFZCI-JTSKRJEESA-N 0 0 459.537 4.557 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC001444517347 1066472656 /nfs/dbraw/zinc/47/26/56/1066472656.db2.gz RNRGFGFSEPEKBY-PGRDOPGGSA-N 0 0 451.567 4.906 20 0 JJADRN CCCc1ccc(-c2ccc(NC(=O)c3nc4cc(OC)c(OC)cc4n(C)c3=O)cc2)cc1 ZINC001444530866 1066472700 /nfs/dbraw/zinc/47/27/00/1066472700.db2.gz FXXJDKRBGVWBER-UHFFFAOYSA-N 0 0 457.530 4.823 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1 ZINC001444516709 1066472726 /nfs/dbraw/zinc/47/27/26/1066472726.db2.gz YTHMVHDNHMLXBU-RSXGOPAZSA-N 0 0 450.623 4.698 20 0 JJADRN CCCc1ccc(-c2ccc(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cc2)cc1 ZINC001444532480 1066472765 /nfs/dbraw/zinc/47/27/65/1066472765.db2.gz MFFJSXIKWXVCSE-UHFFFAOYSA-N 0 0 456.590 4.769 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001361163740 1066473353 /nfs/dbraw/zinc/47/33/53/1066473353.db2.gz PXJBTNFCNUYCQW-HSZRJFAPSA-N 0 0 468.671 4.716 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361163481 1066473394 /nfs/dbraw/zinc/47/33/94/1066473394.db2.gz YLYOMDBPAJGUQE-NJYVYQBISA-N 0 0 456.631 4.681 20 0 JJADRN Cc1ccccc1[C@@H](C)C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC001444544223 1066473455 /nfs/dbraw/zinc/47/34/55/1066473455.db2.gz AYMGMSAZLZBRBG-QGZVFWFLSA-N 0 0 450.476 4.933 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)[C@@H](C)NC(=O)c3ccc(Br)s3)cc2)c1 ZINC001444533969 1066473566 /nfs/dbraw/zinc/47/35/66/1066473566.db2.gz PWVZWZIBCZALNC-OAHLLOKOSA-N 0 0 457.393 4.921 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)s1 ZINC001456015445 1066474019 /nfs/dbraw/zinc/47/40/19/1066474019.db2.gz JMFVFSIHOKZSEH-CSODHUTKSA-N 0 0 458.628 4.624 20 0 JJADRN O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC001444554396 1066474985 /nfs/dbraw/zinc/47/49/85/1066474985.db2.gz UZASOSORDYHSFC-UHFFFAOYSA-N 0 0 459.443 4.683 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444559081 1066475626 /nfs/dbraw/zinc/47/56/26/1066475626.db2.gz ASKQFGFQGCBNEO-TYCQWZJGSA-N 0 0 451.007 4.648 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCSCC3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361164184 1066475695 /nfs/dbraw/zinc/47/56/95/1066475695.db2.gz XXGPKYYSWPRZNK-UHFFFAOYSA-N 0 0 483.585 4.745 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444559069 1066475682 /nfs/dbraw/zinc/47/56/82/1066475682.db2.gz ASKQFGFQGCBNEO-MAODMQOUSA-N 0 0 451.007 4.648 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456017774 1066475841 /nfs/dbraw/zinc/47/58/41/1066475841.db2.gz LBYKLIBVIWTPHH-QFIPXVFZSA-N 0 0 451.364 4.748 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC001456020365 1066476977 /nfs/dbraw/zinc/47/69/77/1066476977.db2.gz TWXFPWMGDHXRLA-HNNXBMFYSA-N 0 0 454.162 4.983 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361166105 1066477173 /nfs/dbraw/zinc/47/71/73/1066477173.db2.gz QESHFPNVGXZBCR-UHFFFAOYSA-N 0 0 471.487 4.608 20 0 JJADRN O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456019481 1066477140 /nfs/dbraw/zinc/47/71/40/1066477140.db2.gz SBODLSJSZJXYND-QHCPKHFHSA-N 0 0 459.546 4.858 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(=O)N4CCCC4)n3CCSC(F)(F)F)CC2)cc1 ZINC001361165837 1066477220 /nfs/dbraw/zinc/47/72/20/1066477220.db2.gz LQAYPQGYSJVJFH-UHFFFAOYSA-N 0 0 481.588 4.634 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3CC3(S(C)(=O)=O)CCCC3)CC2)cc1 ZINC001361166279 1066477786 /nfs/dbraw/zinc/47/77/86/1066477786.db2.gz SCUXRXOMUNWDBW-UHFFFAOYSA-N 0 0 458.672 4.625 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC001456021798 1066478322 /nfs/dbraw/zinc/47/83/22/1066478322.db2.gz XCJKBPUPVBUQHG-KRWDZBQOSA-N 0 0 453.421 4.827 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)cc1 ZINC001456021725 1066478394 /nfs/dbraw/zinc/47/83/94/1066478394.db2.gz YIIIDPRPNPWOFE-UHFFFAOYSA-N 0 0 459.333 4.572 20 0 JJADRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001444581113 1066478506 /nfs/dbraw/zinc/47/85/06/1066478506.db2.gz JAIPTOPCPUEJST-UHFFFAOYSA-N 0 0 456.995 4.670 20 0 JJADRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001456022022 1066479126 /nfs/dbraw/zinc/47/91/26/1066479126.db2.gz JXJVUWVOBDRDOH-UHFFFAOYSA-N 0 0 454.493 4.609 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(C(C)C)nnc3N3C[C@H](C(F)(F)F)O[C@@H](C)C3)co2)cc1 ZINC001361166947 1066479381 /nfs/dbraw/zinc/47/93/81/1066479381.db2.gz CGWBSYKPFPUGQB-QFBILLFUSA-N 0 0 463.504 4.764 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444603535 1066480081 /nfs/dbraw/zinc/48/00/81/1066480081.db2.gz LLCRQFUWCAPSHP-CQSZACIVSA-N 0 0 454.723 4.742 20 0 JJADRN CCCc1c(C(=O)Nc2cccc(CSCC(=O)OC)c2)nnn1-c1cccc(Cl)c1 ZINC001456028776 1066481412 /nfs/dbraw/zinc/48/14/12/1066481412.db2.gz HAAUZNACYGZMLS-UHFFFAOYSA-N 0 0 458.971 4.532 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456027593 1066481529 /nfs/dbraw/zinc/48/15/29/1066481529.db2.gz IAVWIPHNFYDWJZ-LJQANCHMSA-N 0 0 455.327 4.876 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC001444609297 1066481566 /nfs/dbraw/zinc/48/15/66/1066481566.db2.gz PKAVMCAVUJWQPL-FQEVSTJZSA-N 0 0 451.567 4.842 20 0 JJADRN CN(C(=O)c1cc(I)c(F)cc1F)[C@H](c1ccccc1)C(F)(F)F ZINC001456028615 1066481596 /nfs/dbraw/zinc/48/15/96/1066481596.db2.gz FZRUPWAQPLGIOP-CQSZACIVSA-N 0 0 455.164 4.945 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1 ZINC001456027693 1066481605 /nfs/dbraw/zinc/48/16/05/1066481605.db2.gz CVCRFVYAYYUUKV-INIZCTEOSA-N 0 0 458.580 4.931 20 0 JJADRN Cc1cccc2c(CC(=O)N3C[C@H](CNC(=O)OC(C)(C)C)Cc4cc(F)ccc43)c[nH]c21 ZINC001456028651 1066481611 /nfs/dbraw/zinc/48/16/11/1066481611.db2.gz XQQNLFRLFUANHE-KRWDZBQOSA-N 0 0 451.542 4.888 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001456029608 1066482066 /nfs/dbraw/zinc/48/20/66/1066482066.db2.gz JLTWDJAZNFGHQH-PGRDOPGGSA-N 0 0 458.574 4.718 20 0 JJADRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001444609761 1066482114 /nfs/dbraw/zinc/48/21/14/1066482114.db2.gz WZBZRSMNHQIYQF-CQSZACIVSA-N 0 0 456.258 4.925 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCC3(c4ccccc4Cl)CCOCC3)CCC2=O)cc1C ZINC001456029055 1066482220 /nfs/dbraw/zinc/48/22/20/1066482220.db2.gz GWCDOAOFDPCLRD-HXUWFJFHSA-N 0 0 454.998 4.564 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001444610728 1066482196 /nfs/dbraw/zinc/48/21/96/1066482196.db2.gz QFQLLOQHTSRRSU-GCJKJVERSA-N 0 0 454.567 4.756 20 0 JJADRN COc1cc(CCc2cc(NC(=O)C=C(C)c3ccccc3OC(F)F)n[nH]2)cc(OC)c1 ZINC001444609877 1066482208 /nfs/dbraw/zinc/48/22/08/1066482208.db2.gz XTCFTGGIMAERHY-GDNBJRDFSA-N 0 0 457.477 4.856 20 0 JJADRN COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)/C(C)=C/c4ccc(OC)c(F)c4)CC3)c2c1 ZINC001456029899 1066482875 /nfs/dbraw/zinc/48/28/75/1066482875.db2.gz XKQPCQBYOJBYIT-FOWTUZBSSA-N 0 0 450.510 4.912 20 0 JJADRN CCCCOCCN(C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001444613923 1066482894 /nfs/dbraw/zinc/48/28/94/1066482894.db2.gz FAPCKHYEASIWDK-INIZCTEOSA-N 0 0 457.409 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](CF)c3ccc(Br)cc3)n2CCC(C)(C)O)o1 ZINC001361169720 1066484003 /nfs/dbraw/zinc/48/40/03/1066484003.db2.gz AKUCAOJVNPUHSJ-KRWDZBQOSA-N 0 0 465.367 4.917 20 0 JJADRN CON(C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)cc1 ZINC001456033487 1066484363 /nfs/dbraw/zinc/48/43/63/1066484363.db2.gz AKPVLEOPNWRCQH-UHFFFAOYSA-N 0 0 452.355 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2Cc2ccn(C)n2)cc1Br ZINC001361169807 1066484624 /nfs/dbraw/zinc/48/46/24/1066484624.db2.gz BJQCCROVWGSUNP-KXBFYZLASA-N 0 0 457.420 4.813 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361169753 1066484634 /nfs/dbraw/zinc/48/46/34/1066484634.db2.gz JYQOAQRTRZMPFW-KXBFYZLASA-N 0 0 486.414 4.721 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CCC(=O)NC2CCCCC2)o1 ZINC001361169832 1066484705 /nfs/dbraw/zinc/48/47/05/1066484705.db2.gz CCVQAHYLXPJHRE-IBGZPJMESA-N 0 0 479.625 4.849 20 0 JJADRN CCCCOCCN(C(=O)c1cc(=O)c2ccccc2n1C)c1ccc(Br)cc1 ZINC001444618360 1066484875 /nfs/dbraw/zinc/48/48/75/1066484875.db2.gz LWVHRRAMNWLEMA-UHFFFAOYSA-N 0 0 457.368 4.765 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1 ZINC001456034855 1066485147 /nfs/dbraw/zinc/48/51/47/1066485147.db2.gz JKLAMLUKKUSVMC-UHFFFAOYSA-N 0 0 459.369 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2(C(C)C)CC2)cc1Br ZINC001361170204 1066485289 /nfs/dbraw/zinc/48/52/89/1066485289.db2.gz NFJFZWPOBMFHDG-SJORKVTESA-N 0 0 497.503 4.710 20 0 JJADRN CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC001456036322 1066485822 /nfs/dbraw/zinc/48/58/22/1066485822.db2.gz DXYSBKWXRBVTSS-CYFREDJKSA-N 0 0 458.624 4.777 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c(C)cc1Br ZINC001456035106 1066485866 /nfs/dbraw/zinc/48/58/66/1066485866.db2.gz GNJXOADUGXMBPL-HNNXBMFYSA-N 0 0 452.190 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCCN2CCCCCC2=O)o1 ZINC001361170868 1066485906 /nfs/dbraw/zinc/48/59/06/1066485906.db2.gz PVFOXQWOZTVSRR-IBGZPJMESA-N 0 0 453.562 4.976 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001444629343 1066486040 /nfs/dbraw/zinc/48/60/40/1066486040.db2.gz UOETWGNBWZZZND-DYVFJYSZSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1c(C(=O)Nc2cccc(SC(=O)N(C)C)c2)cnn1-c1cccc(Br)c1 ZINC001456037650 1066486304 /nfs/dbraw/zinc/48/63/04/1066486304.db2.gz JOAKEYFNFKJJQD-UHFFFAOYSA-N 0 0 459.369 4.969 20 0 JJADRN CC[C@@H](C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456037476 1066486367 /nfs/dbraw/zinc/48/63/67/1066486367.db2.gz HWUIJXMEFBYWHG-ACJLOTCBSA-N 0 0 451.880 4.711 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCC[C@@H]3c3ccc(C)o3)cc(C(C)C)nc21 ZINC001444631953 1066486739 /nfs/dbraw/zinc/48/67/39/1066486739.db2.gz XENYEZIIAYSTLA-LJQANCHMSA-N 0 0 452.555 4.689 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnc(-c2ccccc2Cl)nc1 ZINC001456039640 1066487836 /nfs/dbraw/zinc/48/78/36/1066487836.db2.gz SMPPSTFBPYPMMM-INIZCTEOSA-N 0 0 457.759 4.568 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2CCCCO2)o1 ZINC001361171654 1066487920 /nfs/dbraw/zinc/48/79/20/1066487920.db2.gz QRSGNVQKJBFINO-FQEVSTJZSA-N 0 0 473.618 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)o1 ZINC001361171860 1066487946 /nfs/dbraw/zinc/48/79/46/1066487946.db2.gz XDOXLRQRGZHCRS-IBGZPJMESA-N 0 0 481.597 4.646 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001456041988 1066488879 /nfs/dbraw/zinc/48/88/79/1066488879.db2.gz ZTPNFOAAEUITLN-PGRDOPGGSA-N 0 0 459.468 4.528 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001444653777 1066488886 /nfs/dbraw/zinc/48/88/86/1066488886.db2.gz VRKJLLGQMKXPBZ-NBGIEHNGSA-N 0 0 456.652 4.961 20 0 JJADRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC001444653760 1066488944 /nfs/dbraw/zinc/48/89/44/1066488944.db2.gz VRKJLLGQMKXPBZ-CJFMBICVSA-N 0 0 456.652 4.961 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001456044624 1066489505 /nfs/dbraw/zinc/48/95/05/1066489505.db2.gz CVCUJZIWWMOSPP-QHCPKHFHSA-N 0 0 453.583 4.506 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001456044629 1066489516 /nfs/dbraw/zinc/48/95/16/1066489516.db2.gz CXMDGKCTRSDASR-GFCCVEGCSA-N 0 0 450.935 4.861 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001444664061 1066489528 /nfs/dbraw/zinc/48/95/28/1066489528.db2.gz ARFSCDKTSJQSGV-WMZHIEFXSA-N 0 0 454.364 4.537 20 0 JJADRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)COC(c1ccccc1)c1ccccc1 ZINC001361172566 1066490009 /nfs/dbraw/zinc/49/00/09/1066490009.db2.gz GIVXTKHNTPZCKN-XMMPIXPASA-N 0 0 458.602 4.542 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC2(CC(C)C)CC2)cc1Br ZINC001361172919 1066490091 /nfs/dbraw/zinc/49/00/91/1066490091.db2.gz CLIVNMOYTVWSMT-UHFFFAOYSA-N 0 0 476.463 4.803 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC001456045464 1066490634 /nfs/dbraw/zinc/49/06/34/1066490634.db2.gz HJMZCCMRKCEHHM-URJCDIQJSA-N 0 0 453.435 4.716 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001456047134 1066491272 /nfs/dbraw/zinc/49/12/72/1066491272.db2.gz HCDAGFRSVGZSSI-JZXOWHBKSA-N 0 0 450.482 4.537 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001456046607 1066491306 /nfs/dbraw/zinc/49/13/06/1066491306.db2.gz GNWGHPKGGDSOGG-IBGZPJMESA-N 0 0 459.543 4.635 20 0 JJADRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001456047168 1066491530 /nfs/dbraw/zinc/49/15/30/1066491530.db2.gz PPDHKWPLGFWRCI-QFIPXVFZSA-N 0 0 453.995 4.987 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC001444670596 1066491547 /nfs/dbraw/zinc/49/15/47/1066491547.db2.gz GFYSTYLZOKCLKB-QGZVFWFLSA-N 0 0 451.741 4.568 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC001444674166 1066491654 /nfs/dbraw/zinc/49/16/54/1066491654.db2.gz PZOGNPOURXCBQV-SFHVURJKSA-N 0 0 457.785 4.773 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCCNc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001444674895 1066491735 /nfs/dbraw/zinc/49/17/35/1066491735.db2.gz WFMVKIIMMBRXMM-AHKZPQOWSA-N 0 0 457.574 4.716 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)cc1Br ZINC001361175196 1066492112 /nfs/dbraw/zinc/49/21/12/1066492112.db2.gz GBWVOQGIEHRFQB-UHFFFAOYSA-N 0 0 472.431 4.554 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCCNc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001444674903 1066492130 /nfs/dbraw/zinc/49/21/30/1066492130.db2.gz WFMVKIIMMBRXMM-XNMGPUDCSA-N 0 0 457.574 4.716 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001456048902 1066492300 /nfs/dbraw/zinc/49/23/00/1066492300.db2.gz NHXRJNCWYQXKGL-HXUWFJFHSA-N 0 0 459.999 4.909 20 0 JJADRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001456048963 1066492351 /nfs/dbraw/zinc/49/23/51/1066492351.db2.gz XKXULRJHPCSARJ-HSZRJFAPSA-N 0 0 454.636 4.947 20 0 JJADRN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001456049748 1066492794 /nfs/dbraw/zinc/49/27/94/1066492794.db2.gz TYWKYLNYRHBDKL-SWLSCSKDSA-N 0 0 454.379 4.611 20 0 JJADRN Cn1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc(=O)c2ccccc21 ZINC001444678738 1066492730 /nfs/dbraw/zinc/49/27/30/1066492730.db2.gz WLZVGMVQPZSYBW-UHFFFAOYSA-N 0 0 453.380 4.933 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1C ZINC001456050166 1066493393 /nfs/dbraw/zinc/49/33/93/1066493393.db2.gz LTWLFDQIEUKWPW-CRAIPNDOSA-N 0 0 457.646 4.934 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1C ZINC001456050171 1066493448 /nfs/dbraw/zinc/49/34/48/1066493448.db2.gz LTWLFDQIEUKWPW-QAPCUYQASA-N 0 0 457.646 4.934 20 0 JJADRN O=C(COc1ccc(I)cc1)Nc1ccc(Cl)cc1-n1cccc1 ZINC001456051102 1066493475 /nfs/dbraw/zinc/49/34/75/1066493475.db2.gz WPQSEZLBOIOXKU-UHFFFAOYSA-N 0 0 452.679 4.753 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC001444692295 1066493872 /nfs/dbraw/zinc/49/38/72/1066493872.db2.gz VTCYVJOLXAVLEB-TYPHKJRUSA-N 0 0 460.615 4.788 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC001456052838 1066494464 /nfs/dbraw/zinc/49/44/64/1066494464.db2.gz YRQRMNNJRNSEOW-RBUKOAKNSA-N 0 0 459.543 4.823 20 0 JJADRN Cc1csc([C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)C2CC2)n1 ZINC001444698071 1066494534 /nfs/dbraw/zinc/49/45/34/1066494534.db2.gz JOMRTHWLNPMRJN-FQEVSTJZSA-N 0 0 459.568 4.581 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN(C)CC(F)(F)F)C1 ZINC001546078900 1066494644 /nfs/dbraw/zinc/49/46/44/1066494644.db2.gz BMFSAUQIKYREEX-HSZRJFAPSA-N 0 0 467.580 4.985 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 ZINC001444699506 1066494641 /nfs/dbraw/zinc/49/46/41/1066494641.db2.gz AEQAOABVTPUUDN-OAHLLOKOSA-N 0 0 459.930 4.680 20 0 JJADRN C[C@](Cc1cccc(Br)c1)(NC(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC001444700400 1066495238 /nfs/dbraw/zinc/49/52/38/1066495238.db2.gz BHSFTAXNZXIVAF-JOCHJYFZSA-N 0 0 457.393 4.515 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC001361176881 1066495241 /nfs/dbraw/zinc/49/52/41/1066495241.db2.gz ZCLGLFYJEDOGOO-UHFFFAOYSA-N 0 0 453.789 4.852 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC(=O)NC2CCCCC2)o1 ZINC001361177530 1066495808 /nfs/dbraw/zinc/49/58/08/1066495808.db2.gz HPTOMYGLROXWAU-UHFFFAOYSA-N 0 0 465.598 4.719 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c2ccccc2Cl)c(C)c1 ZINC001444710232 1066495784 /nfs/dbraw/zinc/49/57/84/1066495784.db2.gz YLMYPYRNEIWQHM-ISKFKSNPSA-N 0 0 451.954 4.662 20 0 JJADRN CO[C@@]1(C)C[C@@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1(C)C ZINC001444707252 1066495858 /nfs/dbraw/zinc/49/58/58/1066495858.db2.gz RFFWNVXGPSPKGV-QRWLVFNGSA-N 0 0 451.386 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CC2([S@](C)=O)CCC2)o1 ZINC001361177586 1066496536 /nfs/dbraw/zinc/49/65/36/1066496536.db2.gz JXHRDCLAVQPBKL-PMERELPUSA-N 0 0 450.967 4.577 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@]2(O)CCC[C@H]2C)o1 ZINC001361177894 1066496969 /nfs/dbraw/zinc/49/69/69/1066496969.db2.gz BHGMOFBPVCHAIH-IVZQSRNASA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361177774 1066497071 /nfs/dbraw/zinc/49/70/71/1066497071.db2.gz QIWWIKSYAHCWKN-OAQYLSRUSA-N 0 0 497.644 4.705 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC001444728126 1066497937 /nfs/dbraw/zinc/49/79/37/1066497937.db2.gz BWKPZXHUHUFWGF-JOCHJYFZSA-N 0 0 452.599 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(F)c3)n2Cc2nnc(C(C)(C)C)s2)o1 ZINC001361178137 1066498104 /nfs/dbraw/zinc/49/81/04/1066498104.db2.gz GHPCZKQERFWMOD-UHFFFAOYSA-N 0 0 458.538 4.958 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1C ZINC001456060379 1066498488 /nfs/dbraw/zinc/49/84/88/1066498488.db2.gz WOANEPCHDNCZHR-QHCPKHFHSA-N 0 0 459.571 4.710 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC001456060754 1066498575 /nfs/dbraw/zinc/49/85/75/1066498575.db2.gz XFPAPUSJYWCTGH-QFIPXVFZSA-N 0 0 454.592 4.677 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545968895 1066498875 /nfs/dbraw/zinc/49/88/75/1066498875.db2.gz NNHIJNIUHXWSEX-FPOVZHCZSA-N 0 0 494.640 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CCC2(O)CCOCC2)o1 ZINC001361178728 1066499528 /nfs/dbraw/zinc/49/95/28/1066499528.db2.gz QNAFRPPUJGBMEK-UHFFFAOYSA-N 0 0 482.478 4.572 20 0 JJADRN CO[C@@H](CNC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001444737152 1066499505 /nfs/dbraw/zinc/49/95/05/1066499505.db2.gz MDWSNOXHDYUGHC-SFHVURJKSA-N 0 0 453.461 4.626 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC001444734625 1066499542 /nfs/dbraw/zinc/49/95/42/1066499542.db2.gz UFKQIOLSWYQIRB-KDOFPFPSSA-N 0 0 450.764 4.519 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccncc2)c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456066987 1066500052 /nfs/dbraw/zinc/50/00/52/1066500052.db2.gz PLRHDVYRSRTEKA-SANMLTNESA-N 0 0 454.578 4.800 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2nn3c(c2Br)CCC3)cc1 ZINC001456065773 1066500084 /nfs/dbraw/zinc/50/00/84/1066500084.db2.gz LBBQGLBUBXFYTJ-JOCHJYFZSA-N 0 0 453.384 4.801 20 0 JJADRN CCN(C(=O)COc1ccc(CCC(C)=O)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001456065896 1066500123 /nfs/dbraw/zinc/50/01/23/1066500123.db2.gz MCZAABQXWNBAPL-SANMLTNESA-N 0 0 452.501 4.898 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3Br)n2CCCN2CCCCC2=O)o1 ZINC001361180341 1066500621 /nfs/dbraw/zinc/50/06/21/1066500621.db2.gz AAANYPVPYQKPCE-UHFFFAOYSA-N 0 0 486.414 4.648 20 0 JJADRN O=C(c1cc(I)cc(C(F)(F)F)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC001361179342 1066500778 /nfs/dbraw/zinc/50/07/78/1066500778.db2.gz STELAMKTFRNHRQ-KGLIPLIRSA-N 0 0 455.283 4.810 20 0 JJADRN CCN(C(=O)CN1c2ccccc2O[C@H](C)C1=O)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067291 1066500769 /nfs/dbraw/zinc/50/07/69/1066500769.db2.gz QOWCPQGHJCBDCP-HRFSGMKKSA-N 0 0 457.574 4.957 20 0 JJADRN C[C@@H](CNC(=O)c1ccccc1N(C)C(=O)c1ccco1)Oc1ccc(Br)cc1 ZINC001444746159 1066500827 /nfs/dbraw/zinc/50/08/27/1066500827.db2.gz WJAMYHBRDYOPHP-HNNXBMFYSA-N 0 0 457.324 4.516 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2Br)no1 ZINC001361180383 1066501013 /nfs/dbraw/zinc/50/10/13/1066501013.db2.gz XKTHKMGASBZBSC-FQEVSTJZSA-N 0 0 457.324 4.538 20 0 JJADRN C[C@@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1nc(C2CCCCC2)no1 ZINC001361180404 1066501041 /nfs/dbraw/zinc/50/10/41/1066501041.db2.gz XPJWMZFIMZONKR-QRQCRPRQSA-N 0 0 451.489 4.963 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccco3)n2CCCN2CCCCC2=O)cc1Br ZINC001361180676 1066501142 /nfs/dbraw/zinc/50/11/42/1066501142.db2.gz FGCCGLYAJKBUAX-UHFFFAOYSA-N 0 0 486.414 4.648 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC001456069013 1066501159 /nfs/dbraw/zinc/50/11/59/1066501159.db2.gz YHXYPOLEJSUCPD-IXCJQBJRSA-N 0 0 455.602 4.939 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001444749761 1066501218 /nfs/dbraw/zinc/50/12/18/1066501218.db2.gz URDRRFPDGLGNTH-FSPWUOQZSA-N 0 0 458.274 4.747 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001444749763 1066501234 /nfs/dbraw/zinc/50/12/34/1066501234.db2.gz URDRRFPDGLGNTH-JEBQAFNWSA-N 0 0 458.274 4.747 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)CC2)cc1 ZINC001444749776 1066501283 /nfs/dbraw/zinc/50/12/83/1066501283.db2.gz UTCIYBBXAJLLJZ-UHFFFAOYSA-N 0 0 458.628 4.584 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccs3)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361180858 1066501485 /nfs/dbraw/zinc/50/14/85/1066501485.db2.gz KJPOBKPCQZNIPM-SFHVURJKSA-N 0 0 488.455 4.629 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)C(=O)NC)C1 ZINC001546079070 1066501560 /nfs/dbraw/zinc/50/15/60/1066501560.db2.gz FNTSPEAXWRNDQU-JOCHJYFZSA-N 0 0 468.429 4.563 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3csc(Br)c3)n2CCN(C)CC(F)(F)F)o1 ZINC001361180949 1066501619 /nfs/dbraw/zinc/50/16/19/1066501619.db2.gz BPDHMBOVCYDZAK-UHFFFAOYSA-N 0 0 492.365 4.801 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)c3nnn(-c4ccccc4)c3C(F)F)CC2)cc1 ZINC001456069448 1066501647 /nfs/dbraw/zinc/50/16/47/1066501647.db2.gz YOZGFVDHRWAWHB-UHFFFAOYSA-N 0 0 453.537 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2Cc2ccc(F)cn2)cc1Br ZINC001361181132 1066502000 /nfs/dbraw/zinc/50/20/00/1066502000.db2.gz DTOFEYJHXOQGDV-UHFFFAOYSA-N 0 0 473.375 4.691 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CCCc2ccnc(C(C)(C)C)n2)o1 ZINC001361180988 1066502007 /nfs/dbraw/zinc/50/20/07/1066502007.db2.gz CJTLEUSYCCAIPP-UHFFFAOYSA-N 0 0 465.627 4.968 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccsc3)n2CC2([S@@](C)=O)CC2)cc1Br ZINC001361181024 1066502084 /nfs/dbraw/zinc/50/20/84/1066502084.db2.gz DKUFMRSNQWQPMX-MUUNZHRXSA-N 0 0 479.469 4.625 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1Cl ZINC001444760950 1066502099 /nfs/dbraw/zinc/50/20/99/1066502099.db2.gz ZDDTUHWADNZEQE-JOCHJYFZSA-N 0 0 454.901 4.532 20 0 JJADRN CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456070927 1066502191 /nfs/dbraw/zinc/50/21/91/1066502191.db2.gz GJTFJWFOJCFYIO-VWLOTQADSA-N 0 0 458.949 4.592 20 0 JJADRN CCN(C(=O)c1ccc(I)cn1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001456070804 1066502246 /nfs/dbraw/zinc/50/22/46/1066502246.db2.gz FVVNZLSCZPDELA-FQEVSTJZSA-N 0 0 457.315 4.641 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)cc1 ZINC001444766753 1066502694 /nfs/dbraw/zinc/50/26/94/1066502694.db2.gz DAXZAFRAGYXLOP-UHFFFAOYSA-N 0 0 459.631 4.668 20 0 JJADRN CCN(C(=O)CCc1nnc(C(C)C)o1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456072388 1066502615 /nfs/dbraw/zinc/50/26/15/1066502615.db2.gz KRGNBAMAWOKNFU-NRFANRHFSA-N 0 0 457.372 4.921 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2Cc2ccccc2OCC(F)(F)F)o1 ZINC001361181357 1066502767 /nfs/dbraw/zinc/50/27/67/1066502767.db2.gz URVVBONBUSJPDD-UHFFFAOYSA-N 0 0 457.456 4.867 20 0 JJADRN CCN(CC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001444767304 1066502846 /nfs/dbraw/zinc/50/28/46/1066502846.db2.gz HIRPZKHVKNAWEN-UHFFFAOYSA-N 0 0 452.039 4.658 20 0 JJADRN CCc1ccc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1S(C)(=O)=O ZINC001456072426 1066503117 /nfs/dbraw/zinc/50/31/17/1066503117.db2.gz KUILMJSZDPUBBR-HSZRJFAPSA-N 0 0 456.995 4.953 20 0 JJADRN CCN(CC1CCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CC1)C(=O)OC(C)(C)C ZINC001444769109 1066503301 /nfs/dbraw/zinc/50/33/01/1066503301.db2.gz NUSDHDXPXWYXPT-UHFFFAOYSA-N 0 0 452.599 4.959 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc4cc(Br)ccc4c3)cc2)cn1 ZINC001456074175 1066503503 /nfs/dbraw/zinc/50/35/03/1066503503.db2.gz JYZUJAURFAHPDL-UHFFFAOYSA-N 0 0 450.292 4.807 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)Cc2sc(-c3ccn(C)n3)nc2C)cc1 ZINC001456075676 1066503558 /nfs/dbraw/zinc/50/35/58/1066503558.db2.gz QBCUYDMDBGWVOP-VWLOTQADSA-N 0 0 459.619 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)n2Cc2ccsc2)o1 ZINC001361181681 1066503609 /nfs/dbraw/zinc/50/36/09/1066503609.db2.gz SPAQGIFYBXSWNI-MRXNPFEDSA-N 0 0 456.572 4.709 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@H](C)OCC(C)C)no3)n2Cc2ccsc2)o1 ZINC001361181680 1066503669 /nfs/dbraw/zinc/50/36/69/1066503669.db2.gz SPAQGIFYBXSWNI-INIZCTEOSA-N 0 0 456.572 4.709 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545969122 1066503622 /nfs/dbraw/zinc/50/36/22/1066503622.db2.gz RMRPTFYRYVICLW-DLBZAZTESA-N 0 0 478.037 4.906 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)C2)cc1 ZINC001444781060 1066503711 /nfs/dbraw/zinc/50/37/11/1066503711.db2.gz PNYATUHCDRULBR-AHWVRZQESA-N 0 0 457.574 4.748 20 0 JJADRN CC(C)(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001444784485 1066504273 /nfs/dbraw/zinc/50/42/73/1066504273.db2.gz KEKVCTZLPJZEDY-HXUWFJFHSA-N 0 0 450.341 4.737 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001444789625 1066504285 /nfs/dbraw/zinc/50/42/85/1066504285.db2.gz YOJIDBUUTFXCEY-LJQANCHMSA-N 0 0 456.558 4.678 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)C(F)F ZINC001444790930 1066504605 /nfs/dbraw/zinc/50/46/05/1066504605.db2.gz CFKLIDFMYGTENZ-MRXNPFEDSA-N 0 0 456.436 4.922 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361181874 1066504768 /nfs/dbraw/zinc/50/47/68/1066504768.db2.gz ZIDCBQISNDTMIX-OAQYLSRUSA-N 0 0 477.512 4.698 20 0 JJADRN CCN(C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001444790350 1066504741 /nfs/dbraw/zinc/50/47/41/1066504741.db2.gz BMDOYJBOMKSWIQ-YADHBBJMSA-N 0 0 450.595 4.657 20 0 JJADRN CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Br)cc1 ZINC001456078834 1066505129 /nfs/dbraw/zinc/50/51/29/1066505129.db2.gz RQCDUGJHEVVJRK-KRWDZBQOSA-N 0 0 455.299 4.956 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCCNc2ccccn2)cc1Br ZINC001361183132 1066505220 /nfs/dbraw/zinc/50/52/20/1066505220.db2.gz FXTJQTAEFCYSCI-HXUWFJFHSA-N 0 0 499.457 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCc2ccc(OC(F)(F)F)cc2)o1 ZINC001361182807 1066505250 /nfs/dbraw/zinc/50/52/50/1066505250.db2.gz BGTUJFHJQTVWIO-IBGZPJMESA-N 0 0 464.488 4.993 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C2CC2)nc1C ZINC001456079370 1066505204 /nfs/dbraw/zinc/50/52/04/1066505204.db2.gz YFXHTQPHEIDBCT-CABCVRRESA-N 0 0 454.470 4.826 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456079852 1066505636 /nfs/dbraw/zinc/50/56/36/1066505636.db2.gz XIGYGADEKROUSS-NTKDMRAZSA-N 0 0 451.929 4.865 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2ccon2)cnn1CC(C)C ZINC001361183666 1066505937 /nfs/dbraw/zinc/50/59/37/1066505937.db2.gz OEYOUUUOCPTAAQ-UHFFFAOYSA-N 0 0 498.429 4.850 20 0 JJADRN C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001456082729 1066505954 /nfs/dbraw/zinc/50/59/54/1066505954.db2.gz FVLCSMWUVPSAKH-IERDGZPVSA-N 0 0 457.368 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H]3c3ccccc3)nc2)CC1 ZINC001456080998 1066506033 /nfs/dbraw/zinc/50/60/33/1066506033.db2.gz DSXGTBIGCMHJFG-YADHBBJMSA-N 0 0 450.583 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[C@H]2CCCCO2)cc1Br ZINC001361183546 1066506152 /nfs/dbraw/zinc/50/61/52/1066506152.db2.gz MHODKAGWAHFGLV-WOJBJXKFSA-N 0 0 477.447 4.981 20 0 JJADRN O=C(N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC001456085201 1066506427 /nfs/dbraw/zinc/50/64/27/1066506427.db2.gz NJRWLEGJNGYPND-OAHLLOKOSA-N 0 0 453.988 4.860 20 0 JJADRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC001444807180 1066506464 /nfs/dbraw/zinc/50/64/64/1066506464.db2.gz SUQCZUMGTKCIMH-WAIKUNEKSA-N 0 0 456.514 4.989 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCc2nc(C(F)(F)F)cs2)o1 ZINC001361184055 1066506480 /nfs/dbraw/zinc/50/64/80/1066506480.db2.gz XIPAUBUWMYULKG-AWEZNQCLSA-N 0 0 455.506 4.570 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CN(C(=O)OCc4ccccc4)C3)n2CCC(C)C)o1 ZINC001361184172 1066506622 /nfs/dbraw/zinc/50/66/22/1066506622.db2.gz ATHSLEQBWSFIEK-UHFFFAOYSA-N 0 0 451.571 4.597 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361183916 1066506641 /nfs/dbraw/zinc/50/66/41/1066506641.db2.gz SEPUVPMGCSZJQJ-NRFANRHFSA-N 0 0 470.442 4.778 20 0 JJADRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC001444807005 1066506676 /nfs/dbraw/zinc/50/66/76/1066506676.db2.gz PPDZPBOZTTUELM-QZTJIDSGSA-N 0 0 459.331 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361184299 1066507024 /nfs/dbraw/zinc/50/70/24/1066507024.db2.gz FHRLDEKKPCXXFK-SFHVURJKSA-N 0 0 464.488 4.699 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001444808056 1066507083 /nfs/dbraw/zinc/50/70/83/1066507083.db2.gz IWGJRZBBCYGUJG-DLBZAZTESA-N 0 0 454.564 4.512 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)Nc2ccc(N3CCCCC3)cn2)(c2ccccc2)C1 ZINC001456087565 1066506963 /nfs/dbraw/zinc/50/69/63/1066506963.db2.gz RXFSMXROKWCZRP-AEEMYVKYSA-N 0 0 450.583 4.636 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)(F)F ZINC001361184541 1066507506 /nfs/dbraw/zinc/50/75/06/1066507506.db2.gz MZTPIQQUZFIHDQ-UHFFFAOYSA-N 0 0 485.352 5.000 20 0 JJADRN CC(C)(C(=O)Nc1ccc(C(F)(F)F)c(I)c1)C1CCC(O)CC1 ZINC001456090277 1066507536 /nfs/dbraw/zinc/50/75/36/1066507536.db2.gz JPPIZOGOKCUTKW-UHFFFAOYSA-N 0 0 455.258 4.826 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)Oc3ccccc3C)c2)cc1 ZINC001444810247 1066507623 /nfs/dbraw/zinc/50/76/23/1066507623.db2.gz JGDZCRBCPKPHPW-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001444810103 1066507714 /nfs/dbraw/zinc/50/77/14/1066507714.db2.gz TXCDICDWPDQHFU-MJGOQNOKSA-N 0 0 450.398 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2CCCCn2cc(Br)cn2)o1 ZINC001361184409 1066507779 /nfs/dbraw/zinc/50/77/79/1066507779.db2.gz JEIQTVBPTXPSHG-UHFFFAOYSA-N 0 0 475.313 4.675 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCc2ccc(Cl)s2)o1 ZINC001361184766 1066508080 /nfs/dbraw/zinc/50/80/80/1066508080.db2.gz STXSFVPGFDWCCU-UHFFFAOYSA-N 0 0 450.992 4.639 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc1 ZINC001456093553 1066508266 /nfs/dbraw/zinc/50/82/66/1066508266.db2.gz FITCRDAYZDJHHL-GFCCVEGCSA-N 0 0 450.607 4.546 20 0 JJADRN C[C@@H](CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F ZINC001444814886 1066508327 /nfs/dbraw/zinc/50/83/27/1066508327.db2.gz RXYHKQLEVLOCOV-INIZCTEOSA-N 0 0 450.485 4.723 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361185069 1066508656 /nfs/dbraw/zinc/50/86/56/1066508656.db2.gz XWLDUUHEPWLLNO-OAHLLOKOSA-N 0 0 450.461 4.711 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 ZINC001444815928 1066508691 /nfs/dbraw/zinc/50/86/91/1066508691.db2.gz SDHISHLCXZYNNM-QFIPXVFZSA-N 0 0 453.564 4.514 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)C(C)(C)C1(C)C ZINC001444816130 1066508882 /nfs/dbraw/zinc/50/88/82/1066508882.db2.gz VVNDNBQWHZWHDH-UHFFFAOYSA-N 0 0 459.978 4.526 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](C)Oc3ccccc3C)cc2)c1 ZINC001444815757 1066508970 /nfs/dbraw/zinc/50/89/70/1066508970.db2.gz RFDWTUVLWOUPFJ-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001361185132 1066509171 /nfs/dbraw/zinc/50/91/71/1066509171.db2.gz DHZBOZCOMDGJAD-UHFFFAOYSA-N 0 0 457.514 4.779 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(C(F)(F)F)c1 ZINC001361185548 1066509178 /nfs/dbraw/zinc/50/91/78/1066509178.db2.gz JRJYDWSNUIWARM-OAHLLOKOSA-N 0 0 452.448 4.691 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1csc(-c2ccccc2OC)n1 ZINC001361185272 1066509219 /nfs/dbraw/zinc/50/92/19/1066509219.db2.gz DYMJPRJXMRRKRG-UHFFFAOYSA-N 0 0 459.955 4.548 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](CCOC)C1)NC(=O)OC(C)(C)C ZINC001545969546 1066509375 /nfs/dbraw/zinc/50/93/75/1066509375.db2.gz ZNERNGWXNSDNCW-PZJWPPBQSA-N 0 0 494.640 4.659 20 0 JJADRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCOc2cccc(I)c2)C1 ZINC001444819543 1066509445 /nfs/dbraw/zinc/50/94/45/1066509445.db2.gz UYNVPSJDCGWRRR-KUHUBIRLSA-N 0 0 453.295 4.809 20 0 JJADRN Cc1ccc(O[C@H](C)CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC001444816676 1066509472 /nfs/dbraw/zinc/50/94/72/1066509472.db2.gz YNLAKJVUQICKAI-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001456099643 1066509387 /nfs/dbraw/zinc/50/93/87/1066509387.db2.gz PINUUICCEAMFRY-DAYGRLMNSA-N 0 0 452.860 4.606 20 0 JJADRN COc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)ccc1OCc1ccccc1Cl ZINC001456099666 1066509481 /nfs/dbraw/zinc/50/94/81/1066509481.db2.gz QOISQFDBJDVGGC-MRXNPFEDSA-N 0 0 454.958 4.860 20 0 JJADRN COC(=O)CCN(C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C)C1CCOCC1 ZINC001361186035 1066509575 /nfs/dbraw/zinc/50/95/75/1066509575.db2.gz PVBFKRNWUAJIEW-HMNRURFUSA-N 0 0 454.394 4.763 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)c(C(F)(F)F)c1 ZINC001361185700 1066509656 /nfs/dbraw/zinc/50/96/56/1066509656.db2.gz LWVJRGSYWUVKDP-UHFFFAOYSA-N 0 0 450.457 4.887 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)c1ccc(Cl)cc1 ZINC001456102676 1066509793 /nfs/dbraw/zinc/50/97/93/1066509793.db2.gz KBHMTMTXAIARKA-OAQYLSRUSA-N 0 0 456.970 4.998 20 0 JJADRN O=C(O[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cnc(C2OCCO2)s1 ZINC001456101238 1066509814 /nfs/dbraw/zinc/50/98/14/1066509814.db2.gz FOYBCEZUPXXLTO-LLVKDONJSA-N 0 0 452.248 4.802 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)c1ccc(F)cc1F ZINC001456101515 1066509858 /nfs/dbraw/zinc/50/98/58/1066509858.db2.gz HPNKXTHIZKWNSM-OAQYLSRUSA-N 0 0 458.505 4.622 20 0 JJADRN O=C(O[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cnc(C2OCCO2)s1 ZINC001456101257 1066509981 /nfs/dbraw/zinc/50/99/81/1066509981.db2.gz FOYBCEZUPXXLTO-NSHDSACASA-N 0 0 452.248 4.802 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001444823480 1066509859 /nfs/dbraw/zinc/50/98/59/1066509859.db2.gz FRZNKRCVROHMSR-QPXUXIHVSA-N 0 0 456.627 4.862 20 0 JJADRN O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001361186383 1066509947 /nfs/dbraw/zinc/50/99/47/1066509947.db2.gz UBRHLSCUAGLGPV-KURKYZTESA-N 0 0 456.386 4.611 20 0 JJADRN O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001361186385 1066509978 /nfs/dbraw/zinc/50/99/78/1066509978.db2.gz UBRHLSCUAGLGPV-SQNIBIBYSA-N 0 0 456.386 4.611 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC001361186515 1066509991 /nfs/dbraw/zinc/50/99/91/1066509991.db2.gz SEPROLJUVWVTKA-UHFFFAOYSA-N 0 0 454.386 4.728 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361186989 1066510584 /nfs/dbraw/zinc/51/05/84/1066510584.db2.gz AQTYGZQLHDWFBZ-UHFFFAOYSA-N 0 0 459.978 4.704 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001456103575 1066510552 /nfs/dbraw/zinc/51/05/52/1066510552.db2.gz KFVPHSFEAANYRX-UHFFFAOYSA-N 0 0 457.880 4.954 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001444838668 1066511093 /nfs/dbraw/zinc/51/10/93/1066511093.db2.gz ISZPYVLTTSXMEI-HXUWFJFHSA-N 0 0 456.386 4.753 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)o1 ZINC001444847289 1066511324 /nfs/dbraw/zinc/51/13/24/1066511324.db2.gz GPMJKRVXVOVHQY-IPYPFGDCSA-N 0 0 453.402 4.784 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001546079525 1066511471 /nfs/dbraw/zinc/51/14/71/1066511471.db2.gz OEBVSQBTOQLEHG-XDHUDOTRSA-N 0 0 471.627 4.704 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001546079524 1066511636 /nfs/dbraw/zinc/51/16/36/1066511636.db2.gz OEBVSQBTOQLEHG-OSPHWJPCSA-N 0 0 471.627 4.704 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCOC[C@H]2C)cc1Br ZINC001361187303 1066511653 /nfs/dbraw/zinc/51/16/53/1066511653.db2.gz MBFDNEPSQPBJDY-WIYYLYMNSA-N 0 0 491.474 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2Cc2ccsc2Br)o1 ZINC001361187410 1066511932 /nfs/dbraw/zinc/51/19/32/1066511932.db2.gz QSWADSPJYDXRLE-UHFFFAOYSA-N 0 0 465.417 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)Nc3ccc(F)cc3OC(F)F)ccc2C1 ZINC001444850205 1066512052 /nfs/dbraw/zinc/51/20/52/1066512052.db2.gz AIHXYIDFHPONJY-UHFFFAOYSA-N 0 0 452.429 4.809 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2CCc2nc(C(F)(F)F)cs2)o1 ZINC001361187484 1066512136 /nfs/dbraw/zinc/51/21/36/1066512136.db2.gz TVGHUUDZYDKFDL-UHFFFAOYSA-N 0 0 468.530 4.700 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(OC)CCOC2)C1 ZINC001546079571 1066512651 /nfs/dbraw/zinc/51/26/51/1066512651.db2.gz PBEILWWECCLEBX-YADHBBJMSA-N 0 0 469.413 4.596 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1C[C@H](C)[C@H]1c1ccccc1)C2 ZINC001444853590 1066513087 /nfs/dbraw/zinc/51/30/87/1066513087.db2.gz HWAFBSOBPZKGNE-GRWTVWFQSA-N 0 0 452.551 4.590 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NCCCCC1CCCC1 ZINC001444853818 1066513536 /nfs/dbraw/zinc/51/35/36/1066513536.db2.gz JCEFFUHPTVEBTJ-UHFFFAOYSA-N 0 0 454.390 4.770 20 0 JJADRN CSCC[C@H](C(=O)Nc1cccc(CSC(C)C)c1C)N1C(=O)c2ccccc2C1=O ZINC001361188339 1066513540 /nfs/dbraw/zinc/51/35/40/1066513540.db2.gz IGSYJYHYJXQIFD-OAQYLSRUSA-N 0 0 456.633 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3C)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361188403 1066513703 /nfs/dbraw/zinc/51/37/03/1066513703.db2.gz RMICLXMWIUCPIY-JGCGQSQUSA-N 0 0 458.628 4.607 20 0 JJADRN CC[C@](C)(CCCNC(=O)c1cnc(-c2ccccc2Br)s1)C1OCCO1 ZINC001444855200 1066513592 /nfs/dbraw/zinc/51/35/92/1066513592.db2.gz UYVIYNOMAWTLHF-HXUWFJFHSA-N 0 0 453.402 4.872 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001444853800 1066513652 /nfs/dbraw/zinc/51/36/52/1066513652.db2.gz QEJOBISGPHBXCH-UNMCSNQZSA-N 0 0 451.391 4.651 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001444853798 1066513687 /nfs/dbraw/zinc/51/36/87/1066513687.db2.gz QEJOBISGPHBXCH-RBBKRZOGSA-N 0 0 451.391 4.651 20 0 JJADRN CC[C@@](C)(CCCNC(=O)c1cnc(-c2ccccc2Br)s1)C1OCCO1 ZINC001444855156 1066513701 /nfs/dbraw/zinc/51/37/01/1066513701.db2.gz UYVIYNOMAWTLHF-FQEVSTJZSA-N 0 0 453.402 4.872 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1C[C@H](C)Oc2cc(F)ccc21)NC(=O)OC(C)(C)C ZINC001444856421 1066513733 /nfs/dbraw/zinc/51/37/33/1066513733.db2.gz NUWJTJHZGNLFBR-LPHOPBHVSA-N 0 0 458.530 4.994 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361188630 1066514002 /nfs/dbraw/zinc/51/40/02/1066514002.db2.gz WSOBVYXUEXVGKB-OALUTQOASA-N 0 0 483.579 4.762 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1 ZINC001361188497 1066514094 /nfs/dbraw/zinc/51/40/94/1066514094.db2.gz JTUNAALCAIBHTD-KUDFPVQQSA-N 0 0 450.348 4.948 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2CC(=O)N(C)C2CCCCC2)o1 ZINC001361188406 1066514100 /nfs/dbraw/zinc/51/41/00/1066514100.db2.gz ROPXHZNUHCCCFW-UHFFFAOYSA-N 0 0 483.588 4.682 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2sc(C)nc2C)C1 ZINC001546079661 1066514034 /nfs/dbraw/zinc/51/40/34/1066514034.db2.gz RCCLELYFWCTZRH-XMMPIXPASA-N 0 0 455.628 4.808 20 0 JJADRN COc1cccc(-n2cc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)nc3)nn2)c1 ZINC001456121921 1066514637 /nfs/dbraw/zinc/51/46/37/1066514637.db2.gz YLKDYJFXANCXKW-UHFFFAOYSA-N 0 0 455.396 4.734 20 0 JJADRN Cc1csc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1I ZINC001361189100 1066514665 /nfs/dbraw/zinc/51/46/65/1066514665.db2.gz VBVAGMOZFPHRHI-DOTOQJQBSA-N 0 0 455.361 4.867 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)[C@@H](C)C2)cc1C ZINC001361190098 1066515155 /nfs/dbraw/zinc/51/51/55/1066515155.db2.gz SYACNKGTNJKSTP-INIZCTEOSA-N 0 0 459.928 4.826 20 0 JJADRN CCCc1c(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001361189784 1066515178 /nfs/dbraw/zinc/51/51/78/1066515178.db2.gz MQQPFUDZAVUHPY-IBGZPJMESA-N 0 0 452.002 4.841 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)[C@H](C)C2)cc1C ZINC001361190099 1066515186 /nfs/dbraw/zinc/51/51/86/1066515186.db2.gz SYACNKGTNJKSTP-MRXNPFEDSA-N 0 0 459.928 4.826 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456124965 1066515162 /nfs/dbraw/zinc/51/51/62/1066515162.db2.gz QTCOFHFNWZZWPA-MRXNPFEDSA-N 0 0 453.174 4.779 20 0 JJADRN COc1ccc([C@H](NC(=O)/C=C(/C)c2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444878125 1066515418 /nfs/dbraw/zinc/51/54/18/1066515418.db2.gz GOLSTXUDCPYIOL-SEPOPDPSSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2CC2CCN(CC(F)(F)F)CC2)o1 ZINC001361190184 1066515659 /nfs/dbraw/zinc/51/56/59/1066515659.db2.gz FKYOOYGMXHKOJH-UHFFFAOYSA-N 0 0 495.521 4.775 20 0 JJADRN CN(C[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)C(=O)OC(C)(C)C ZINC001444886204 1066516278 /nfs/dbraw/zinc/51/62/78/1066516278.db2.gz ZYLJIQPMYICEAT-HXUWFJFHSA-N 0 0 452.599 4.748 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444891102 1066516397 /nfs/dbraw/zinc/51/63/97/1066516397.db2.gz OMNCCFFUHUFVMG-GOSISDBHSA-N 0 0 453.530 4.872 20 0 JJADRN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444887100 1066516456 /nfs/dbraw/zinc/51/64/56/1066516456.db2.gz GZZPPDYKNPWRAK-UHFFFAOYSA-N 0 0 459.497 4.737 20 0 JJADRN CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001444889488 1066516483 /nfs/dbraw/zinc/51/64/83/1066516483.db2.gz WJUJHXDIXBFHFB-IBGZPJMESA-N 0 0 454.514 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)/C=C\c1ccccc1OC(F)(F)F)C2 ZINC001456129459 1066516601 /nfs/dbraw/zinc/51/66/01/1066516601.db2.gz IOCRRFOSGWUTIX-YRBAHSOBSA-N 0 0 454.489 4.991 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc(CO)c2)c2ccccc2Cl)c(OC)c1 ZINC001444900749 1066516794 /nfs/dbraw/zinc/51/67/94/1066516794.db2.gz OCVNCOUWXBHGFL-GYCJOSAFSA-N 0 0 455.938 4.523 20 0 JJADRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O ZINC001444908470 1066517438 /nfs/dbraw/zinc/51/74/38/1066517438.db2.gz VFNJIIYDVXFRSI-JMSVASOKSA-N 0 0 452.407 4.520 20 0 JJADRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O ZINC001444908485 1066517476 /nfs/dbraw/zinc/51/74/76/1066517476.db2.gz VFNJIIYDVXFRSI-XUJVJEKNSA-N 0 0 452.407 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2C[C@@]2(O)CCSC2)cc1Br ZINC001361191381 1066517693 /nfs/dbraw/zinc/51/76/93/1066517693.db2.gz RBIUSYXTRWTUKR-QFIPXVFZSA-N 0 0 491.455 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(CCc3cccc(F)c3)C3CC3)n2CCN(C)CC(F)(F)F)o1 ZINC001361191347 1066517730 /nfs/dbraw/zinc/51/77/30/1066517730.db2.gz PTQXQTPCPKZKAY-UHFFFAOYSA-N 0 0 465.495 4.691 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2Cc2ncn(C)n2)cc1Br ZINC001361191448 1066518175 /nfs/dbraw/zinc/51/81/75/1066518175.db2.gz UFEFYJHBUQOGHY-UHFFFAOYSA-N 0 0 472.435 4.598 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)NC(=O)OC(C)(C)C ZINC001444927563 1066518707 /nfs/dbraw/zinc/51/87/07/1066518707.db2.gz AYQRFSJKBFIORJ-AWEZNQCLSA-N 0 0 459.465 4.564 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001444927874 1066518906 /nfs/dbraw/zinc/51/89/06/1066518906.db2.gz BNVILEHKUQLJFM-ZIFCJYIRSA-N 0 0 458.521 4.566 20 0 JJADRN Cc1ccn2cnc(C(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)c2c1 ZINC001456141486 1066520167 /nfs/dbraw/zinc/52/01/67/1066520167.db2.gz XHQQTDHQWPPNDS-UHFFFAOYSA-N 0 0 452.864 4.804 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3CNC(=O)OC(C)(C)C)nc2)c1 ZINC001361193660 1066520175 /nfs/dbraw/zinc/52/01/75/1066520175.db2.gz VVUAXXJOMHDUAK-JTSKRJEESA-N 0 0 455.555 4.648 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444943154 1066520528 /nfs/dbraw/zinc/52/05/28/1066520528.db2.gz GYXZOTPOTGGUEV-NRFANRHFSA-N 0 0 458.967 4.615 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1cccc(Cl)c1F ZINC001444941637 1066520656 /nfs/dbraw/zinc/52/06/56/1066520656.db2.gz CBWUAGOKTJYUTR-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(NC(C)=O)cc2)C1 ZINC001546079997 1066520794 /nfs/dbraw/zinc/52/07/94/1066520794.db2.gz YLNMQJKCQGUKMA-WXVAWEFUSA-N 0 0 496.656 4.983 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2CCC(C)C)o1 ZINC001361194659 1066520981 /nfs/dbraw/zinc/52/09/81/1066520981.db2.gz SYMHBUHIWCPFIO-UHFFFAOYSA-N 0 0 453.406 4.716 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCc2ccnc(C(C)(C)C)n2)o1 ZINC001361194551 1066521137 /nfs/dbraw/zinc/52/11/37/1066521137.db2.gz QMWOTDKHIOTNQH-UHFFFAOYSA-N 0 0 466.630 4.961 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001444946599 1066521104 /nfs/dbraw/zinc/52/11/04/1066521104.db2.gz NWYWCAPCOQJQGE-NRFANRHFSA-N 0 0 459.587 4.882 20 0 JJADRN COc1ccccc1O[C@@H](C)CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001444947736 1066521126 /nfs/dbraw/zinc/52/11/26/1066521126.db2.gz DOWOEGGAJQMRQR-OALUTQOASA-N 0 0 454.567 4.898 20 0 JJADRN COc1cc(N)c(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc1Br ZINC001444949036 1066521441 /nfs/dbraw/zinc/52/14/41/1066521441.db2.gz HMTTULKCARIMGR-UHFFFAOYSA-N 0 0 458.150 4.842 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2csc(COC)n2)C1 ZINC001546080047 1066521386 /nfs/dbraw/zinc/52/13/86/1066521386.db2.gz ZODGDSGMSKTGQS-XMMPIXPASA-N 0 0 455.628 4.752 20 0 JJADRN CCN(CC)C(=O)CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001456146825 1066521484 /nfs/dbraw/zinc/52/14/84/1066521484.db2.gz JPOKVVUMUQKZIE-UHFFFAOYSA-N 0 0 450.366 4.624 20 0 JJADRN CC(C)(CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC001361194982 1066521486 /nfs/dbraw/zinc/52/14/86/1066521486.db2.gz CHTAINLRLYALRW-UHFFFAOYSA-N 0 0 457.496 4.849 20 0 JJADRN O=C(CCOc1cccc(I)c1)Nc1cc(C(F)(F)F)ccc1F ZINC001361195002 1066521557 /nfs/dbraw/zinc/52/15/57/1066521557.db2.gz CZVGKQRSUOZVEB-UHFFFAOYSA-N 0 0 453.173 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@](C)(O)c2ccco2)cc1Br ZINC001361195486 1066522100 /nfs/dbraw/zinc/52/21/00/1066522100.db2.gz BYHZJJJYWNWGQY-WCJKSRRJSA-N 0 0 491.455 4.847 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)sc1Br ZINC001456148354 1066522138 /nfs/dbraw/zinc/52/21/38/1066522138.db2.gz QSDYPJDMYVZUCM-UHFFFAOYSA-N 0 0 458.381 4.563 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC001456149090 1066522383 /nfs/dbraw/zinc/52/23/83/1066522383.db2.gz KGWGCCRKSZKYLL-FQEVSTJZSA-N 0 0 455.824 4.675 20 0 JJADRN CN(C(=O)c1[nH]c2ccccc2c1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444955651 1066522428 /nfs/dbraw/zinc/52/24/28/1066522428.db2.gz ODECAVPKXYJAFU-UHFFFAOYSA-N 0 0 450.377 4.838 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)c3[nH]nc(C4CC4)c3Br)CCCC2)cc1C ZINC001444954843 1066522575 /nfs/dbraw/zinc/52/25/75/1066522575.db2.gz KGEWGSAVGCJGKG-UHFFFAOYSA-N 0 0 459.388 4.595 20 0 JJADRN O=C(COc1ccc(F)cc1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001456150062 1066522829 /nfs/dbraw/zinc/52/28/29/1066522829.db2.gz OJVGJDWKRWBRKA-XMMPIXPASA-N 0 0 453.558 4.920 20 0 JJADRN Cc1cc(-c2csc(NC(=O)C=Cc3cc4cnn(C(C)C)c4[nH]c3=O)n2)c(F)cc1F ZINC001444963854 1066523478 /nfs/dbraw/zinc/52/34/78/1066523478.db2.gz XJRMWYFYVWYLNW-SNAWJCMRSA-N 0 0 455.490 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361196197 1066523518 /nfs/dbraw/zinc/52/35/18/1066523518.db2.gz LQDAUZVJDVSUTG-KBPBESRZSA-N 0 0 467.426 4.991 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccccc2SCc2cc(C)no2)CC1 ZINC001456152367 1066523889 /nfs/dbraw/zinc/52/38/89/1066523889.db2.gz WAQXNPVYXNKFHX-QHCPKHFHSA-N 0 0 455.624 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361196241 1066524104 /nfs/dbraw/zinc/52/41/04/1066524104.db2.gz MMUWANZBLIFHMO-KDOFPFPSSA-N 0 0 454.880 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C)Cc2cccs2)o1 ZINC001361196826 1066524826 /nfs/dbraw/zinc/52/48/26/1066524826.db2.gz USURYGXMFBMGBO-DHSIGJKJSA-N 0 0 454.518 4.943 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCCNC(=O)C(C)C)cc1Br ZINC001361196978 1066525322 /nfs/dbraw/zinc/52/53/22/1066525322.db2.gz WQVCQQJEGVVBJV-IRXDYDNUSA-N 0 0 476.463 4.661 20 0 JJADRN C[C@H](c1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1)N1CCOCC1 ZINC001456157448 1066525738 /nfs/dbraw/zinc/52/57/38/1066525738.db2.gz LXYADLPVQXLPKR-CYBMUJFWSA-N 0 0 455.299 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCSC(F)(F)F)o1 ZINC001361197957 1066525924 /nfs/dbraw/zinc/52/59/24/1066525924.db2.gz CUHDSTUAFVHWOI-INIZCTEOSA-N 0 0 479.528 4.589 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361197305 1066525931 /nfs/dbraw/zinc/52/59/31/1066525931.db2.gz ZDYOUISXUCGBNQ-UWJYYQICSA-N 0 0 483.588 4.886 20 0 JJADRN O=C(CCSc1ccccc1Br)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001361197834 1066525995 /nfs/dbraw/zinc/52/59/95/1066525995.db2.gz ZMMHSDPRIAWGEC-INIZCTEOSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)CN3CSCC3=O)cc2Cl)c(Br)c1 ZINC001456159683 1066526192 /nfs/dbraw/zinc/52/61/92/1066526192.db2.gz IDZANDOJAIMKAI-UHFFFAOYSA-N 0 0 455.761 4.675 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C12CCCCC2 ZINC001444987988 1066526471 /nfs/dbraw/zinc/52/64/71/1066526471.db2.gz AEXRRZOIKLDIAL-AQNXPRMDSA-N 0 0 452.636 4.725 20 0 JJADRN C[C@H](CC(=O)N[C@H](CO)c1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456162928 1066526651 /nfs/dbraw/zinc/52/66/51/1066526651.db2.gz CLRINLQMVSXVJB-JTDSTZFVSA-N 0 0 458.521 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCc2csc(C(C)(C)C)n2)o1 ZINC001361198214 1066526977 /nfs/dbraw/zinc/52/69/77/1066526977.db2.gz LQKUQSLRSQPVPZ-UHFFFAOYSA-N 0 0 498.697 4.926 20 0 JJADRN O=C(NCc1ccc(F)nc1Br)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001456165749 1066527011 /nfs/dbraw/zinc/52/70/11/1066527011.db2.gz PCKYBGZEEJUZPG-SFHVURJKSA-N 0 0 451.242 4.698 20 0 JJADRN CCCN(C(=O)c1c(Br)nc2n1CCCC2)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001444994056 1066527445 /nfs/dbraw/zinc/52/74/45/1066527445.db2.gz FXXYMXILYWXPHE-IRXDYDNUSA-N 0 0 452.437 4.962 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)Sc1ccccc1 ZINC001444993548 1066527471 /nfs/dbraw/zinc/52/74/71/1066527471.db2.gz DYAGMHUOCIRUFZ-JJXUHFIVSA-N 0 0 450.526 4.912 20 0 JJADRN CN(CC(=O)NCCC1=CCCCC1)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC001456168461 1066527498 /nfs/dbraw/zinc/52/74/98/1066527498.db2.gz GWANFPDQWYYRTP-UHFFFAOYSA-N 0 0 453.970 4.671 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC2CC2)cc1Br ZINC001361198582 1066527611 /nfs/dbraw/zinc/52/76/11/1066527611.db2.gz XGCJOZOSGWOCDA-UHFFFAOYSA-N 0 0 474.447 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=CCC3)n2CC(F)(F)Br)cc1Br ZINC001361198512 1066527655 /nfs/dbraw/zinc/52/76/55/1066527655.db2.gz UOEVPPAFQIZTFB-UHFFFAOYSA-N 0 0 462.136 4.770 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001456171318 1066527900 /nfs/dbraw/zinc/52/79/00/1066527900.db2.gz GXPVUBMRLCWWRF-UHFFFAOYSA-N 0 0 456.652 4.869 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545971312 1066527954 /nfs/dbraw/zinc/52/79/54/1066527954.db2.gz VPXFVBMTNHPAIA-KRWDZBQOSA-N 0 0 457.500 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001444996817 1066528012 /nfs/dbraw/zinc/52/80/12/1066528012.db2.gz IGBIKGVYUUEMHS-FQEVSTJZSA-N 0 0 453.539 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC001444996169 1066528025 /nfs/dbraw/zinc/52/80/25/1066528025.db2.gz JDXXPMUPSCYGPK-AWEZNQCLSA-N 0 0 450.992 4.758 20 0 JJADRN C[C@@H](CNC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)Sc1ccccc1 ZINC001444998735 1066528446 /nfs/dbraw/zinc/52/84/46/1066528446.db2.gz OSAGFMDJVHWSRD-PDIVGGKMSA-N 0 0 450.670 4.853 20 0 JJADRN C[C@H](CNC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)Sc1ccccc1 ZINC001444998731 1066528530 /nfs/dbraw/zinc/52/85/30/1066528530.db2.gz OSAGFMDJVHWSRD-GRJHGRLYSA-N 0 0 450.670 4.853 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)Cc2csc(-c3ccoc3)n2)c2ccc(Cl)cc2)CCO1 ZINC001456175397 1066528951 /nfs/dbraw/zinc/52/89/51/1066528951.db2.gz TUCZDOQNRNLYCT-HXUWFJFHSA-N 0 0 459.999 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)o1 ZINC001361199905 1066529098 /nfs/dbraw/zinc/52/90/98/1066529098.db2.gz KJPVZNDLENHEJT-NVXWUHKLSA-N 0 0 465.545 4.631 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC001456175454 1066529093 /nfs/dbraw/zinc/52/90/93/1066529093.db2.gz BPNDWOULZPEFKI-CYBMUJFWSA-N 0 0 458.049 4.614 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)Oc2ccc(F)cc2)o1 ZINC001361199993 1066529378 /nfs/dbraw/zinc/52/93/78/1066529378.db2.gz KXONMJVDKPSTDO-WAIKUNEKSA-N 0 0 496.505 4.983 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCCCOC(C)C)CC3)n2C2CC(C(C)(C)C)C2)o1 ZINC001361200084 1066529405 /nfs/dbraw/zinc/52/94/05/1066529405.db2.gz NDHPUHNKYLATRV-UHFFFAOYSA-N 0 0 485.673 4.991 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCCc2c(F)cccc2F)c2ccc(Cl)cc2)CCO1 ZINC001456176312 1066529411 /nfs/dbraw/zinc/52/94/11/1066529411.db2.gz VTRWNSBEHKRWKC-JOCHJYFZSA-N 0 0 450.957 4.909 20 0 JJADRN O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC001445005996 1066529441 /nfs/dbraw/zinc/52/94/41/1066529441.db2.gz FNWTWFFENGLGKY-UHFFFAOYSA-N 0 0 459.449 4.605 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCc2csc(C)n2)o1 ZINC001361200419 1066530414 /nfs/dbraw/zinc/53/04/14/1066530414.db2.gz WBBRSIQGKXGGFK-SJLPKXTDSA-N 0 0 486.642 4.594 20 0 JJADRN COc1cc(NC(=O)CSCC(=O)Nc2cccc(Br)c2)cc2ccccc21 ZINC001456178485 1066530549 /nfs/dbraw/zinc/53/05/49/1066530549.db2.gz OZFKKNAMZBMTDK-UHFFFAOYSA-N 0 0 459.365 4.921 20 0 JJADRN CCc1nc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)nn1-c1ccccc1Cl ZINC001456180051 1066530859 /nfs/dbraw/zinc/53/08/59/1066530859.db2.gz SMCVDHVKIYVZKW-UHFFFAOYSA-N 0 0 456.930 4.727 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc3ccccc32)C1 ZINC001445028776 1066531047 /nfs/dbraw/zinc/53/10/47/1066531047.db2.gz AACQHNFNIMPZDY-MJGOQNOKSA-N 0 0 450.501 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCS2)o1 ZINC001361200515 1066530980 /nfs/dbraw/zinc/53/09/80/1066530980.db2.gz YOOSZPRDESWMPM-GBESFXJTSA-N 0 0 475.659 4.872 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001456180355 1066530933 /nfs/dbraw/zinc/53/09/33/1066530933.db2.gz ZWKJTCGWSPSPST-CSBKYJRVSA-N 0 0 459.999 4.513 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001456179611 1066530940 /nfs/dbraw/zinc/53/09/40/1066530940.db2.gz UULJNKGENZUBGG-JLZZUVOBSA-N 0 0 466.003 4.631 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCn1cc(Br)cn1 ZINC001456180365 1066531041 /nfs/dbraw/zinc/53/10/41/1066531041.db2.gz ZZJWJYSDXZWYGF-LLVKDONJSA-N 0 0 453.793 4.998 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001445033162 1066531072 /nfs/dbraw/zinc/53/10/72/1066531072.db2.gz QDJWXHMKWBKOKA-UHFFFAOYSA-N 0 0 455.230 4.917 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2C[C@H]2CCO[C@@H](C)C2)o1 ZINC001361201508 1066531491 /nfs/dbraw/zinc/53/14/91/1066531491.db2.gz CIDSCAXOOBDZSH-OALUTQOASA-N 0 0 473.618 4.545 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361201512 1066531499 /nfs/dbraw/zinc/53/14/99/1066531499.db2.gz CIWWNXPCFPVRJX-MRXNPFEDSA-N 0 0 457.420 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2ncccc2N(C)C)cc1Br ZINC001361201649 1066531512 /nfs/dbraw/zinc/53/15/12/1066531512.db2.gz GZPUGMOUOMWAEY-DOTOQJQBSA-N 0 0 469.431 4.760 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361201659 1066531842 /nfs/dbraw/zinc/53/18/42/1066531842.db2.gz HBTNWLAUDFWPPN-AWEZNQCLSA-N 0 0 463.508 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCCOC(C)C)o1 ZINC001361201716 1066531852 /nfs/dbraw/zinc/53/18/52/1066531852.db2.gz IAFMIFZKMZHZBQ-UHFFFAOYSA-N 0 0 461.607 4.545 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 ZINC001361202245 1066532478 /nfs/dbraw/zinc/53/24/78/1066532478.db2.gz GJJHTKHOQIKVEH-WMZHIEFXSA-N 0 0 458.624 4.551 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)c1ccccc1 ZINC001456185429 1066532359 /nfs/dbraw/zinc/53/23/59/1066532359.db2.gz AHFSWBUMDFDTGF-MUUNZHRXSA-N 0 0 457.526 4.957 20 0 JJADRN Cc1ccc(NC(=O)c2c(Br)cccc2Br)cc1C(=O)NC(C)C 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4.987 20 0 JJADRN O=C(NCC1CCC(c2ccccc2)CC1)c1ccc2ncc(I)n2c1 ZINC001456198877 1066535257 /nfs/dbraw/zinc/53/52/57/1066535257.db2.gz RQJRFSHDNNYHJQ-UHFFFAOYSA-N 0 0 459.331 4.643 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)CC1 ZINC001456198645 1066535268 /nfs/dbraw/zinc/53/52/68/1066535268.db2.gz BAEDLISGWJESPX-UHFFFAOYSA-N 0 0 451.596 4.655 20 0 JJADRN COc1ccccc1C1(C(=O)Nc2ccc(I)c(C)n2)CCCCC1 ZINC001361204725 1066535486 /nfs/dbraw/zinc/53/54/86/1066535486.db2.gz GYKUSMZCMJAUMM-UHFFFAOYSA-N 0 0 450.320 4.844 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCCOC(F)F)cc1Br ZINC001361204456 1066535654 /nfs/dbraw/zinc/53/56/54/1066535654.db2.gz WYLXWANJWSRABO-SFHVURJKSA-N 0 0 499.400 4.898 20 0 JJADRN C[C@@H]1Oc2c(cccc2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)NC1=O ZINC001445062109 1066535771 /nfs/dbraw/zinc/53/57/71/1066535771.db2.gz NLIQESICAAIYGB-HNNXBMFYSA-N 0 0 457.368 4.800 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001456199057 1066535718 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HWOFGUQJGGCUMO-LJQANCHMSA-N 0 0 469.561 4.579 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1 ZINC001456200623 1066536415 /nfs/dbraw/zinc/53/64/15/1066536415.db2.gz WLGNVGNWSZPGJA-UHFFFAOYSA-N 0 0 452.532 4.893 20 0 JJADRN Cc1nc2sccn2c1CN(C)C(=O)c1cc(Br)c(C)cc1Br ZINC001445074991 1066536393 /nfs/dbraw/zinc/53/63/93/1066536393.db2.gz OXEIXRSBVBEXDZ-UHFFFAOYSA-N 0 0 457.191 4.810 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)CCOc3ccccc3-c3ccccc3)CC2)cc1 ZINC001445079294 1066536998 /nfs/dbraw/zinc/53/69/98/1066536998.db2.gz GOJYOKVFMZPEBQ-UHFFFAOYSA-N 0 0 456.586 4.986 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456204172 1066537150 /nfs/dbraw/zinc/53/71/50/1066537150.db2.gz AIVFOELVXXJNSB-VGOFRKELSA-N 0 0 452.576 4.688 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456204151 1066537199 /nfs/dbraw/zinc/53/71/99/1066537199.db2.gz AIVFOELVXXJNSB-HTAPYJJXSA-N 0 0 452.576 4.688 20 0 JJADRN CCCCCn1nc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OC)c2ccccc2c1=O ZINC001456203819 1066537268 /nfs/dbraw/zinc/53/72/68/1066537268.db2.gz WRDMMHBYVWCGRT-UHFFFAOYSA-N 0 0 455.580 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)C1 ZINC001445083619 1066537382 /nfs/dbraw/zinc/53/73/82/1066537382.db2.gz SJCVPFAXOLBKNU-IBGZPJMESA-N 0 0 456.587 4.965 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1scnc1Br ZINC001456207146 1066537672 /nfs/dbraw/zinc/53/76/72/1066537672.db2.gz RZDHEGYSCZCYQE-UHFFFAOYSA-N 0 0 452.374 4.523 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1OC1CCCC1 ZINC001445085059 1066538097 /nfs/dbraw/zinc/53/80/97/1066538097.db2.gz AXKCFCLZWAIUPK-KRWDZBQOSA-N 0 0 456.558 4.608 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cccc(Oc2ccncc2)c1 ZINC001456208355 1066538048 /nfs/dbraw/zinc/53/80/48/1066538048.db2.gz WUFJIHPOCYCTST-UHFFFAOYSA-N 0 0 455.312 4.787 20 0 JJADRN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084881 1066538199 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JAUBEWVTRLIMIV-QFIPXVFZSA-N 0 0 454.368 4.891 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)n2CCOC(C)(C)C)o1 ZINC001361206926 1066538770 /nfs/dbraw/zinc/53/87/70/1066538770.db2.gz BYYBAGCVBOFKDC-UHFFFAOYSA-N 0 0 484.576 4.591 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC001445094439 1066539101 /nfs/dbraw/zinc/53/91/01/1066539101.db2.gz QLUNWLQLXWYRQX-IBGZPJMESA-N 0 0 451.539 4.525 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOc2c(C)cccc2C)o1 ZINC001361207063 1066539301 /nfs/dbraw/zinc/53/93/01/1066539301.db2.gz HMXYPQTUXNQIIR-HXUWFJFHSA-N 0 0 481.597 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)ccc21 ZINC001456216490 1066539559 /nfs/dbraw/zinc/53/95/59/1066539559.db2.gz XQTSZRMRXXGNOQ-UHFFFAOYSA-N 0 0 453.514 4.893 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445100213 1066539659 /nfs/dbraw/zinc/53/96/59/1066539659.db2.gz XXSNYVARCYXYMY-INIZCTEOSA-N 0 0 453.583 4.634 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(Br)s1 ZINC001445100777 1066539756 /nfs/dbraw/zinc/53/97/56/1066539756.db2.gz YUIJKNPQEBBEDI-STQMWFEESA-N 0 0 455.393 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cnn(CC(C)C)c2C)o1 ZINC001361207160 1066539680 /nfs/dbraw/zinc/53/96/80/1066539680.db2.gz LJBQTEGYLNWELZ-NRFANRHFSA-N 0 0 497.644 4.501 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N(CC)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001545972154 1066539778 /nfs/dbraw/zinc/53/97/78/1066539778.db2.gz AHTLJLJEXHWSNS-OAQYLSRUSA-N 0 0 450.587 4.670 20 0 JJADRN C[C@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1cc(Cl)cc2c1OCC2 ZINC001456218434 1066539897 /nfs/dbraw/zinc/53/98/97/1066539897.db2.gz YNUQFAURGLKVNT-WMLDXEAASA-N 0 0 452.979 4.604 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC2CCCCCC2)o1 ZINC001361207240 1066540200 /nfs/dbraw/zinc/54/02/00/1066540200.db2.gz NUJSMJZGPTYXPY-LJQANCHMSA-N 0 0 473.618 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CC2)cc1Br ZINC001361207627 1066540484 /nfs/dbraw/zinc/54/04/84/1066540484.db2.gz WTPFRDDBKWPFKF-QGZVFWFLSA-N 0 0 476.419 4.529 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)c2ccc(F)cc2)o1 ZINC001361207603 1066540645 /nfs/dbraw/zinc/54/06/45/1066540645.db2.gz WDHJMHMZIRLDCL-JXFKEZNVSA-N 0 0 469.561 4.893 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1c2c(sc1-n1cccc1)CCC2 ZINC001445148988 1066540676 /nfs/dbraw/zinc/54/06/76/1066540676.db2.gz CPKSBXHPVOPFML-UHFFFAOYSA-N 0 0 457.983 4.757 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(C)C ZINC001456225467 1066540804 /nfs/dbraw/zinc/54/08/04/1066540804.db2.gz NGRWMOFDDPNOOF-LJQANCHMSA-N 0 0 459.331 4.912 20 0 JJADRN O=C(NCc1ccc(Br)c(F)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001456230094 1066540839 /nfs/dbraw/zinc/54/08/39/1066540839.db2.gz WIQQMSCHYVXRKG-OAQYLSRUSA-N 0 0 454.295 4.972 20 0 JJADRN COc1ccc(Cn2ncc3cc(C(=O)N[C@@H](c4ccccc4C)C(C)C)cnc32)c(OC)c1 ZINC001456226332 1066540898 /nfs/dbraw/zinc/54/08/98/1066540898.db2.gz PMTFXXNRVXBOCL-RUZDIDTESA-N 0 0 458.562 4.932 20 0 JJADRN CCS[C@H]1CCCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001361208377 1066540926 /nfs/dbraw/zinc/54/09/26/1066540926.db2.gz RJPIQYMQYYTUAL-FYZZASKESA-N 0 0 450.645 4.666 20 0 JJADRN COc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccn2)c(I)c1 ZINC001361207952 1066540937 /nfs/dbraw/zinc/54/09/37/1066540937.db2.gz IKKOCHDMBFZFHW-UHFFFAOYSA-N 0 0 458.299 4.732 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC001445162971 1066541220 /nfs/dbraw/zinc/54/12/20/1066541220.db2.gz VUGHVDDJJOFAOS-UHFFFAOYSA-N 0 0 456.586 4.927 20 0 JJADRN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456231005 1066541071 /nfs/dbraw/zinc/54/10/71/1066541071.db2.gz XIUGSHFZGFUFNH-NSHDSACASA-N 0 0 456.383 4.685 20 0 JJADRN O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1cncc(-n2ccnn2)c1 ZINC001456231319 1066541188 /nfs/dbraw/zinc/54/11/88/1066541188.db2.gz RUNJWURLKYVHRU-NRFANRHFSA-N 0 0 456.308 4.822 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)o1 ZINC001361208961 1066541233 /nfs/dbraw/zinc/54/12/33/1066541233.db2.gz IIUGCNZBGIAYOQ-FUHWJXTLSA-N 0 0 470.536 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccco2)cc1Br ZINC001361208950 1066541314 /nfs/dbraw/zinc/54/13/14/1066541314.db2.gz HVSHWXBRZOWNOH-UHFFFAOYSA-N 0 0 485.304 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccoc2)cc1Br ZINC001361208488 1066541334 /nfs/dbraw/zinc/54/13/34/1066541334.db2.gz AQGMGJJKMPYOFH-UHFFFAOYSA-N 0 0 485.304 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCC(C)(C)C)cc1Br ZINC001361208943 1066541411 /nfs/dbraw/zinc/54/14/11/1066541411.db2.gz HNHFAQKBVCCFFF-UHFFFAOYSA-N 0 0 497.503 4.856 20 0 JJADRN O=C(NCCc1cc(F)ccc1F)c1ccccc1NC(=O)c1ccccc1Br ZINC001445164414 1066541594 /nfs/dbraw/zinc/54/15/94/1066541594.db2.gz XZRSXOXFKOPHIH-UHFFFAOYSA-N 0 0 459.290 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCOC(C)C)cc1Br ZINC001361209065 1066541673 /nfs/dbraw/zinc/54/16/73/1066541673.db2.gz KILRLEVEBUVRRT-IBGZPJMESA-N 0 0 465.436 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361208995 1066541780 /nfs/dbraw/zinc/54/17/80/1066541780.db2.gz JDJSHLMGUXCHGL-SFHVURJKSA-N 0 0 487.645 4.745 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@@H](C)C2)cc1C ZINC001445167724 1066542315 /nfs/dbraw/zinc/54/23/15/1066542315.db2.gz VXCICQZQTFELJJ-SFHVURJKSA-N 0 0 453.384 4.603 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1)NC(=O)OC(C)(C)C ZINC001545972443 1066542341 /nfs/dbraw/zinc/54/23/41/1066542341.db2.gz GGMKABORIKAIIH-CTNGQTDRSA-N 0 0 482.604 4.720 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cnn(CC)c2Br)cc1 ZINC001456238866 1066542264 /nfs/dbraw/zinc/54/22/64/1066542264.db2.gz FAXXPEQUZZWCAH-RTBURBONSA-N 0 0 450.377 4.574 20 0 JJADRN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1csc(-c2ncccc2F)n1 ZINC001456238865 1066542314 /nfs/dbraw/zinc/54/23/14/1066542314.db2.gz GTPADHAZYUFSFM-UHFFFAOYSA-N 0 0 453.520 4.570 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2Cc2c(F)cc(F)c(F)c2F)o1 ZINC001361209261 1066542334 /nfs/dbraw/zinc/54/23/34/1066542334.db2.gz RHOJZJKRVHFYNS-UHFFFAOYSA-N 0 0 452.452 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](Oc4ccccn4)C3)n2CC(C)C)cc1Br ZINC001361209522 1066542605 /nfs/dbraw/zinc/54/26/05/1066542605.db2.gz ZYRPGAQIAVCGOE-SFHVURJKSA-N 0 0 456.388 4.725 20 0 JJADRN O=C(c1cnn(CCO)c1-c1ccccc1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001445171625 1066542660 /nfs/dbraw/zinc/54/26/60/1066542660.db2.gz DMUISSOXVWSPOJ-UHFFFAOYSA-N 0 0 458.389 4.944 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCc2ccc(F)cc2Cl)o1 ZINC001361209414 1066542741 /nfs/dbraw/zinc/54/27/41/1066542741.db2.gz WQEYOKGLWGXFCX-UHFFFAOYSA-N 0 0 472.870 4.775 20 0 JJADRN CC1(C)CCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001445170979 1066542885 /nfs/dbraw/zinc/54/28/85/1066542885.db2.gz CBMLQBXVDVRDGS-GOSISDBHSA-N 0 0 451.386 4.558 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361210103 1066543252 /nfs/dbraw/zinc/54/32/52/1066543252.db2.gz AQBBCYSZVLAKLG-MRXNPFEDSA-N 0 0 471.524 4.882 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445175647 1066543267 /nfs/dbraw/zinc/54/32/67/1066543267.db2.gz ILLQAFBDSWWJFP-NPMXOYFQSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCc2cccc(C(=O)N(C)C)c2)o1 ZINC001361210110 1066543383 /nfs/dbraw/zinc/54/33/83/1066543383.db2.gz AWBFDCGMPMVBGT-IBGZPJMESA-N 0 0 475.515 4.570 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445175654 1066543431 /nfs/dbraw/zinc/54/34/31/1066543431.db2.gz ILLQAFBDSWWJFP-WNSKOXEYSA-N 0 0 456.514 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC4(C3)CCCCC4)n2CCOCCCO)cc1Br ZINC001361210367 1066543562 /nfs/dbraw/zinc/54/35/62/1066543562.db2.gz IQLQNPOCTOJCLE-UHFFFAOYSA-N 0 0 477.447 4.576 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4cc(F)ccc4C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361210385 1066543665 /nfs/dbraw/zinc/54/36/65/1066543665.db2.gz IZDJFLBEVVVQSN-MRXNPFEDSA-N 0 0 469.561 4.709 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)C2)c1 ZINC001445176521 1066543601 /nfs/dbraw/zinc/54/36/01/1066543601.db2.gz UZVZEAJQHNDALE-OLRBPVQESA-N 0 0 452.551 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)o1 ZINC001361210617 1066544049 /nfs/dbraw/zinc/54/40/49/1066544049.db2.gz PSZRPUVELPFEMD-ICSRJNTNSA-N 0 0 481.597 4.730 20 0 JJADRN COc1cccc(CNC(=O)c2c3ccc(Br)cc3nn2C)c1OC1CCCC1 ZINC001456243295 1066544202 /nfs/dbraw/zinc/54/42/02/1066544202.db2.gz PVXQTYZBBSWPPW-UHFFFAOYSA-N 0 0 458.356 4.596 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2cnn(C)c2)cc1Br ZINC001361210464 1066544262 /nfs/dbraw/zinc/54/42/62/1066544262.db2.gz LCVANTFWEDEJNM-MRXNPFEDSA-N 0 0 483.336 4.577 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC001445188892 1066544308 /nfs/dbraw/zinc/54/43/08/1066544308.db2.gz VBDLKYMMDJZMDQ-UHFFFAOYSA-N 0 0 456.505 4.879 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2nn(CC)cc2Br)cc1 ZINC001456244048 1066544243 /nfs/dbraw/zinc/54/42/43/1066544243.db2.gz NJMMNVZQCQFOJW-RBUKOAKNSA-N 0 0 450.377 4.574 20 0 JJADRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001456243294 1066544348 /nfs/dbraw/zinc/54/43/48/1066544348.db2.gz BVSGJFSCELHUAR-UZLBHIALSA-N 0 0 452.414 4.715 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)C2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545972478 1066544422 /nfs/dbraw/zinc/54/44/22/1066544422.db2.gz GYWDNAKNCWXXTK-OALUTQOASA-N 0 0 456.635 4.603 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(COc4ccc(C)cc4C)o3)C2)c1 ZINC001361210990 1066544672 /nfs/dbraw/zinc/54/46/72/1066544672.db2.gz FBCWNKPSYLSFDD-IBGZPJMESA-N 0 0 450.535 4.501 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CSC3CCOCC3)c2)nnn1Cc1ccc(F)cc1 ZINC001456245623 1066544699 /nfs/dbraw/zinc/54/46/99/1066544699.db2.gz ACZSPWXXJOLRIR-UHFFFAOYSA-N 0 0 454.571 4.692 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)no1 ZINC001445195478 1066544742 /nfs/dbraw/zinc/54/47/42/1066544742.db2.gz ZIDJILWGQUAZAI-UHFFFAOYSA-N 0 0 455.555 4.602 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC001456247026 1066545200 /nfs/dbraw/zinc/54/52/00/1066545200.db2.gz GSECGBIGCBUYFQ-GMAHTHKFSA-N 0 0 452.551 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361211768 1066545526 /nfs/dbraw/zinc/54/55/26/1066545526.db2.gz ACEMNCHMJUBOKY-CZUORRHYSA-N 0 0 455.347 4.677 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCc2cccc(OC)c2OC2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001456247344 1066545610 /nfs/dbraw/zinc/54/56/10/1066545610.db2.gz USUXESCGCMAQQR-DHLKQENFSA-N 0 0 450.579 4.551 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3cc4c(Cl)cccc4nc3C)CC2)cs1 ZINC001445217426 1066546151 /nfs/dbraw/zinc/54/61/51/1066546151.db2.gz TXLRSIKXEQFUOI-INIZCTEOSA-N 0 0 459.015 4.709 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccsc3-n3c(C)ccc3C)CC2)cs1 ZINC001445218779 1066546165 /nfs/dbraw/zinc/54/61/65/1066546165.db2.gz XQFNYFZZUMJJLR-GOSISDBHSA-N 0 0 458.653 4.668 20 0 JJADRN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001456249450 1066546122 /nfs/dbraw/zinc/54/61/22/1066546122.db2.gz INOCGTAYABAIQE-SFHVURJKSA-N 0 0 452.889 4.870 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cs1 ZINC001445217371 1066546249 /nfs/dbraw/zinc/54/62/49/1066546249.db2.gz SBPIDZWNAOIEIP-IBGZPJMESA-N 0 0 452.624 4.513 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1)C(C)C ZINC001456250803 1066546491 /nfs/dbraw/zinc/54/64/91/1066546491.db2.gz NSSVOHSNMMMDGQ-DEOSSOPVSA-N 0 0 451.567 4.573 20 0 JJADRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001456250705 1066546560 /nfs/dbraw/zinc/54/65/60/1066546560.db2.gz ZCASQPICHYSXHS-SBJAYZTMSA-N 0 0 463.569 4.572 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1cc(-c2cccnc2)on1 ZINC001456252256 1066546913 /nfs/dbraw/zinc/54/69/13/1066546913.db2.gz SMSAOLCTKMICIV-UHFFFAOYSA-N 0 0 454.273 4.943 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC001456251572 1066546952 /nfs/dbraw/zinc/54/69/52/1066546952.db2.gz WTVJHMRLQSAHRQ-UHFFFAOYSA-N 0 0 452.776 4.975 20 0 JJADRN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cc(C)n(C4CCCCC4)c3C)cc2)CC1 ZINC001445224054 1066547024 /nfs/dbraw/zinc/54/70/24/1066547024.db2.gz AXCYJCBWLBFYMC-UHFFFAOYSA-N 0 0 450.627 4.569 20 0 JJADRN CCC(CC)(C(=O)Nc1cc(F)c(F)cc1I)C(=O)OC(C)(C)C ZINC001361212680 1066547364 /nfs/dbraw/zinc/54/73/64/1066547364.db2.gz HRQZUQVXUFCNOY-UHFFFAOYSA-N 0 0 453.267 4.656 20 0 JJADRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001456253687 1066547589 /nfs/dbraw/zinc/54/75/89/1066547589.db2.gz WJSFLHVBGBWERA-UONOGXRCSA-N 0 0 450.322 4.559 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)Nc2ccc3[nH]c(CC4CCCCC4)nc3c2)n1 ZINC001445229750 1066547491 /nfs/dbraw/zinc/54/74/91/1066547491.db2.gz CJZWQBNTQQUDHO-UHFFFAOYSA-N 0 0 457.376 4.557 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229303 1066547541 /nfs/dbraw/zinc/54/75/41/1066547541.db2.gz AETCAWLIDXGCJI-MSOLQXFVSA-N 0 0 451.325 4.555 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCCC(C)(C)C2)cnn1C ZINC001361213010 1066547825 /nfs/dbraw/zinc/54/78/25/1066547825.db2.gz RQKYCSLWKUMYFR-UHFFFAOYSA-N 0 0 457.420 4.733 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001545972860 1066548108 /nfs/dbraw/zinc/54/81/08/1066548108.db2.gz OCBYIYFCCPIWHV-HXUWFJFHSA-N 0 0 453.562 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2Cc2cscc2C)o1 ZINC001361213538 1066548285 /nfs/dbraw/zinc/54/82/85/1066548285.db2.gz YXHABPARLDLEQP-GOSISDBHSA-N 0 0 455.628 4.643 20 0 JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001445236253 1066548474 /nfs/dbraw/zinc/54/84/74/1066548474.db2.gz FFVQYDKTEJRLCB-FQEVSTJZSA-N 0 0 455.436 4.860 20 0 JJADRN O=C(NCCCC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)NC1CCCCC1 ZINC001445236679 1066548513 /nfs/dbraw/zinc/54/85/13/1066548513.db2.gz YQZWTTDXJHZELG-GOSISDBHSA-N 0 0 456.414 4.775 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC001445239462 1066548604 /nfs/dbraw/zinc/54/86/04/1066548604.db2.gz KACPCGLNXVOYCZ-QFIPXVFZSA-N 0 0 450.535 4.680 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262335 1066548822 /nfs/dbraw/zinc/54/88/22/1066548822.db2.gz DSOZOQXVUVOIGI-QUCCMNQESA-N 0 0 453.888 4.838 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCO[C@@H](C)c2ccccc2)o1 ZINC001361214022 1066549252 /nfs/dbraw/zinc/54/92/52/1066549252.db2.gz HHUDWWZBCBPDQQ-GMAHTHKFSA-N 0 0 479.625 4.755 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](CC)CC3)c2)cc1 ZINC001456263362 1066549432 /nfs/dbraw/zinc/54/94/32/1066549432.db2.gz DDULILUSLPWMNZ-FQEVSTJZSA-N 0 0 458.624 4.871 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(OC(C)C)CC1)Oc1ccccc1F ZINC001545973153 1066549504 /nfs/dbraw/zinc/54/95/04/1066549504.db2.gz TXYCMYOHIXHLTE-FQEVSTJZSA-N 0 0 453.562 4.731 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001445264141 1066549674 /nfs/dbraw/zinc/54/96/74/1066549674.db2.gz PXXCTGRUZAOVIE-SANMLTNESA-N 0 0 452.599 4.596 20 0 JJADRN CCCc1nc(C)c(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)s1 ZINC001456266518 1066549740 /nfs/dbraw/zinc/54/97/40/1066549740.db2.gz BKAGMAYXDITLMV-UHFFFAOYSA-N 0 0 450.532 4.908 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ncoc2CCC(F)(F)F)c2ccccc21 ZINC001456265870 1066549762 /nfs/dbraw/zinc/54/97/62/1066549762.db2.gz HRFHLEDVIKVAKQ-AWEZNQCLSA-N 0 0 453.461 4.828 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2CCOC(C)(C)C)o1 ZINC001361214250 1066549994 /nfs/dbraw/zinc/54/99/94/1066549994.db2.gz LJEXKCDIKZWPEW-MRXNPFEDSA-N 0 0 466.508 4.718 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCO[C@H](C)C2)o1 ZINC001361214204 1066550239 /nfs/dbraw/zinc/55/02/39/1066550239.db2.gz KQIMOHNBXHFVBD-NJYVYQBISA-N 0 0 487.645 4.887 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001456267960 1066550220 /nfs/dbraw/zinc/55/02/20/1066550220.db2.gz BMOUBEQCQNKIHN-KRWDZBQOSA-N 0 0 455.368 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)c4ccccc4)C3)n2CCSC(C)C)o1 ZINC001361214483 1066550572 /nfs/dbraw/zinc/55/05/72/1066550572.db2.gz QLGKVYIHZZUNDA-FQEVSTJZSA-N 0 0 467.639 4.635 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)c2ccccc21 ZINC001456268936 1066550653 /nfs/dbraw/zinc/55/06/53/1066550653.db2.gz QLABKTOYGCIKFJ-GPMSIDNRSA-N 0 0 456.505 4.922 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)c2ccccc21 ZINC001456269798 1066550812 /nfs/dbraw/zinc/55/08/12/1066550812.db2.gz UAILQVDJMAVBOX-KRWDZBQOSA-N 0 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Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@@H](C)O)cc2)o1 ZINC001361214865 1066552155 /nfs/dbraw/zinc/55/21/55/1066552155.db2.gz ZAOMODZJVNSRPI-DENIHFKCSA-N 0 0 495.624 4.784 20 0 JJADRN COC(=O)CCC1CCN(C(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)[nH]c2=O)CC1 ZINC001445278500 1066552266 /nfs/dbraw/zinc/55/22/66/1066552266.db2.gz YEXGFQDNMMIECC-UHFFFAOYSA-N 0 0 451.567 4.523 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)s1 ZINC001445281400 1066552285 /nfs/dbraw/zinc/55/22/85/1066552285.db2.gz AANHLKGEMBOOCI-HNNXBMFYSA-N 0 0 451.390 4.506 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)cc1OC ZINC001456272730 1066552342 /nfs/dbraw/zinc/55/23/42/1066552342.db2.gz GHUMAZIOTBMUGZ-UHFFFAOYSA-N 0 0 454.611 4.707 20 0 JJADRN Cc1cn(CC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c2ccccc12 ZINC001456273355 1066552420 /nfs/dbraw/zinc/55/24/20/1066552420.db2.gz VMMKJGVJBVBLDR-UHFFFAOYSA-N 0 0 454.498 4.841 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001361216290 1066552448 /nfs/dbraw/zinc/55/24/48/1066552448.db2.gz NLCZGPHSQHKEPA-XCLFUZPHSA-N 0 0 452.979 4.609 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)Oc1ccccc1C(F)(F)F ZINC001445282861 1066552721 /nfs/dbraw/zinc/55/27/21/1066552721.db2.gz DBKZMXVVHHLNPK-HFTRVMKXSA-N 0 0 458.521 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)CC1 ZINC001456275369 1066552772 /nfs/dbraw/zinc/55/27/72/1066552772.db2.gz FXGIJVOJMMSVPZ-UHFFFAOYSA-N 0 0 458.599 4.771 20 0 JJADRN CC1(C)Cc2cccc(C(=O)Nc3cccc(CS(=O)(=O)c4ccc(F)cc4F)c3)c2O1 ZINC001456274703 1066552831 /nfs/dbraw/zinc/55/28/31/1066552831.db2.gz ZCULJNSFXFVVAM-UHFFFAOYSA-N 0 0 457.498 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361217333 1066552947 /nfs/dbraw/zinc/55/29/47/1066552947.db2.gz BYICCAXRKNJYAL-MOPGFXCFSA-N 0 0 474.447 4.556 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001445285293 1066553414 /nfs/dbraw/zinc/55/34/14/1066553414.db2.gz LBARMNMZDJTYTO-KRWDZBQOSA-N 0 0 458.324 4.564 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC001456275956 1066553465 /nfs/dbraw/zinc/55/34/65/1066553465.db2.gz CBXUPLXPKCDLCG-QDUSTFBWSA-N 0 0 469.807 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cnc(F)c(Br)c3)cc2C1 ZINC001456277032 1066553775 /nfs/dbraw/zinc/55/37/75/1066553775.db2.gz JZMOMQIDKHKYHU-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC001456277676 1066553784 /nfs/dbraw/zinc/55/37/84/1066553784.db2.gz FGEYNMAIMAJXSA-XUVXKRRUSA-N 0 0 452.542 4.981 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)CCC1 ZINC001456277764 1066553961 /nfs/dbraw/zinc/55/39/61/1066553961.db2.gz GHXJIPYAZVQJMV-UHFFFAOYSA-N 0 0 457.796 4.777 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(Br)cc3)cc2C1=O ZINC001445291648 1066554306 /nfs/dbraw/zinc/55/43/06/1066554306.db2.gz YXGGPOKFKBQSOV-FQEVSTJZSA-N 0 0 455.352 4.823 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCO[C@H]2CCCC[C@H]2C)o1 ZINC001361218193 1066554567 /nfs/dbraw/zinc/55/45/67/1066554567.db2.gz PEXRFEMXGZZLSO-IRLDBZIGSA-N 0 0 487.645 4.747 20 0 JJADRN CO[C@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1C(F)(F)F ZINC001456281081 1066554855 /nfs/dbraw/zinc/55/48/55/1066554855.db2.gz SADXVFJMZSYPMB-OALUTQOASA-N 0 0 458.521 4.983 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973390 1066554915 /nfs/dbraw/zinc/55/49/15/1066554915.db2.gz YHQFEWUJDIRTQB-GGAORHGYSA-N 0 0 476.625 4.712 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973398 1066554938 /nfs/dbraw/zinc/55/49/38/1066554938.db2.gz YIYZDEHQGCIRCJ-WIYYLYMNSA-N 0 0 450.587 4.841 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545973448 1066555482 /nfs/dbraw/zinc/55/54/82/1066555482.db2.gz ZCLRUXHIDPTZRI-IRLDBZIGSA-N 0 0 480.588 4.776 20 0 JJADRN CC[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)Oc1ccccc1F ZINC001445293286 1066555518 /nfs/dbraw/zinc/55/55/18/1066555518.db2.gz LCETXUODOUUHHS-CABCVRRESA-N 0 0 457.571 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC(C)(F)F)cc1Br ZINC001361218902 1066555867 /nfs/dbraw/zinc/55/58/67/1066555867.db2.gz WOMAOMFBBSVPEP-UHFFFAOYSA-N 0 0 498.416 4.756 20 0 JJADRN O=C(NC[C@H]1CSCCS1)c1cccnc1SCc1ccc(Br)cc1 ZINC001445300633 1066556207 /nfs/dbraw/zinc/55/62/07/1066556207.db2.gz YYPJMDQTFWEAGD-HNNXBMFYSA-N 0 0 455.468 4.715 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361219154 1066556256 /nfs/dbraw/zinc/55/62/56/1066556256.db2.gz UHRHVDPOWDNCTK-NRFANRHFSA-N 0 0 465.598 4.925 20 0 JJADRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC001445320489 1066556573 /nfs/dbraw/zinc/55/65/73/1066556573.db2.gz BMCXPRZWBWKJET-IBGZPJMESA-N 0 0 454.739 4.825 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973753 1066556633 /nfs/dbraw/zinc/55/66/33/1066556633.db2.gz HAOCFUHWBXVOHX-SFTDATJTSA-N 0 0 458.331 4.502 20 0 JJADRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC001445320490 1066556689 /nfs/dbraw/zinc/55/66/89/1066556689.db2.gz BMCXPRZWBWKJET-LJQANCHMSA-N 0 0 454.739 4.825 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2CCSCC(C)C)o1 ZINC001361219787 1066556628 /nfs/dbraw/zinc/55/66/28/1066556628.db2.gz PSWOLCWIAXRLOS-UHFFFAOYSA-N 0 0 473.687 4.855 20 0 JJADRN CC[C@H](NC(=O)CN(CC)C(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC001445328034 1066557277 /nfs/dbraw/zinc/55/72/77/1066557277.db2.gz MQSMQMPZNLHHAB-VWLOTQADSA-N 0 0 450.579 4.579 20 0 JJADRN C[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)c1ccc(F)c(Br)c1 ZINC001456296072 1066557400 /nfs/dbraw/zinc/55/74/00/1066557400.db2.gz XGODZJQGHYMJCA-SECBINFHSA-N 0 0 455.125 4.728 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC001445324903 1066557316 /nfs/dbraw/zinc/55/73/16/1066557316.db2.gz NMXYSZULLZPDPH-UHFFFAOYSA-N 0 0 452.505 4.735 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCSC2(C)C)o1 ZINC001361220724 1066557996 /nfs/dbraw/zinc/55/79/96/1066557996.db2.gz BJSCPBWYEDWDBN-FUHWJXTLSA-N 0 0 475.659 4.824 20 0 JJADRN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC(OCC2CCCC2)CC1 ZINC001445332996 1066558283 /nfs/dbraw/zinc/55/82/83/1066558283.db2.gz GPOFEVDJIWITEJ-UHFFFAOYSA-N 0 0 452.389 4.618 20 0 JJADRN CCNC(=O)Nc1cc(F)ccc1NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C ZINC001445333007 1066558345 /nfs/dbraw/zinc/55/83/45/1066558345.db2.gz GSFMSJIJGYAWAE-UHFFFAOYSA-N 0 0 458.497 4.776 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2[C@H]2C[C@@H]2C)cc1Br ZINC001361220756 1066558504 /nfs/dbraw/zinc/55/85/04/1066558504.db2.gz CMQKJMWJPILDEC-VBQJREDUSA-N 0 0 472.353 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361220843 1066558567 /nfs/dbraw/zinc/55/85/67/1066558567.db2.gz GKDFKJSFDDHUMY-NBGIEHNGSA-N 0 0 471.671 4.978 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCc2ccc(F)c(F)c2)o1 ZINC001361220896 1066558870 /nfs/dbraw/zinc/55/88/70/1066558870.db2.gz IBWSLTQFJOLVKW-MRXNPFEDSA-N 0 0 487.551 4.813 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)Oc2ccc(F)cc2)o1 ZINC001361221130 1066559356 /nfs/dbraw/zinc/55/93/56/1066559356.db2.gz OKVOPBUROUPEOV-HKUYNNGSSA-N 0 0 499.587 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)o1 ZINC001361221104 1066559585 /nfs/dbraw/zinc/55/95/85/1066559585.db2.gz NVDDABQSISZLFS-UHFFFAOYSA-N 0 0 463.991 4.667 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(Br)c1 ZINC001545973995 1066559986 /nfs/dbraw/zinc/55/99/86/1066559986.db2.gz MSBRBCSWXXXXMQ-UYAOXDASSA-N 0 0 450.348 4.780 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC(C)(C)c2cccs2)o1 ZINC001361221515 1066560563 /nfs/dbraw/zinc/56/05/63/1066560563.db2.gz ZSLXGPGGHKFROI-UHFFFAOYSA-N 0 0 471.627 4.800 20 0 JJADRN NC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1N1CCCCC1 ZINC001456309292 1066560675 /nfs/dbraw/zinc/56/06/75/1066560675.db2.gz CVVFMWOGOLNWAI-UHFFFAOYSA-N 0 0 450.366 4.880 20 0 JJADRN NC(=O)c1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1N1CCCCC1 ZINC001456312341 1066560817 /nfs/dbraw/zinc/56/08/17/1066560817.db2.gz PWTIEBHLVXRJBZ-UHFFFAOYSA-N 0 0 454.983 4.729 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)n2CCCOC(F)F)o1 ZINC001361222824 1066561065 /nfs/dbraw/zinc/56/10/65/1066561065.db2.gz SJCVLGPFUSTFEP-UHFFFAOYSA-N 0 0 485.457 4.821 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001456316358 1066561231 /nfs/dbraw/zinc/56/12/31/1066561231.db2.gz FUXURFMADCFTNT-LSTHTHJFSA-N 0 0 475.416 4.798 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC2CCC(F)(F)CC2)o1 ZINC001361223883 1066561459 /nfs/dbraw/zinc/56/14/59/1066561459.db2.gz BFWBXOBQRSDCLM-AWEZNQCLSA-N 0 0 461.479 4.745 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1OC ZINC001361223555 1066561524 /nfs/dbraw/zinc/56/15/24/1066561524.db2.gz QYOQCHLOUATYOH-UHFFFAOYSA-N 0 0 457.162 4.761 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC001456319461 1066561728 /nfs/dbraw/zinc/56/17/28/1066561728.db2.gz ORDUGIJGFJCOLY-INIZCTEOSA-N 0 0 453.174 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCCc2cccc(Br)c2)CC2(CCC2)C1 ZINC001456320279 1066561818 /nfs/dbraw/zinc/56/18/18/1066561818.db2.gz PUSNKZWGMNDXGE-UHFFFAOYSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCCOc2ccc(F)cc2)o1 ZINC001361224002 1066561945 /nfs/dbraw/zinc/56/19/45/1066561945.db2.gz GODBELOGUOQLSQ-UHFFFAOYSA-N 0 0 481.494 4.529 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361224045 1066562045 /nfs/dbraw/zinc/56/20/45/1066562045.db2.gz HRQRKDUPKGNLLD-FHWLQOOXSA-N 0 0 481.563 4.908 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC001445358704 1066562271 /nfs/dbraw/zinc/56/22/71/1066562271.db2.gz NOWXIYQVQJSRAI-KBPBESRZSA-N 0 0 454.445 4.648 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(Cc4cccc(Cl)c4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361224101 1066562338 /nfs/dbraw/zinc/56/23/38/1066562338.db2.gz JIUASTINPIDCHY-UHFFFAOYSA-N 0 0 483.922 4.749 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NCC(C)(C)c2cccs2)c1 ZINC001456323785 1066562841 /nfs/dbraw/zinc/56/28/41/1066562841.db2.gz WDWLHXDTKZXPJR-UHFFFAOYSA-N 0 0 459.589 4.622 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cccn1Cc1ccncc1 ZINC001445363492 1066562838 /nfs/dbraw/zinc/56/28/38/1066562838.db2.gz YBTUUNQNAMEFAM-UHFFFAOYSA-N 0 0 450.951 4.829 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C2)C1 ZINC001445363987 1066562849 /nfs/dbraw/zinc/56/28/49/1066562849.db2.gz JBISAKPUGBVJKF-KMFGOTIKSA-N 0 0 450.567 4.793 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001445361209 1066562897 /nfs/dbraw/zinc/56/28/97/1066562897.db2.gz UOOBDOOIZUQHCY-OAQYLSRUSA-N 0 0 455.530 4.918 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCc2ccccc2OC(F)F)o1 ZINC001361224465 1066562835 /nfs/dbraw/zinc/56/28/35/1066562835.db2.gz VJDMXMPEKAKNDH-HNNXBMFYSA-N 0 0 499.484 4.763 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCC[C@H]2C)cc1Br ZINC001361224393 1066562927 /nfs/dbraw/zinc/56/29/27/1066562927.db2.gz SLMZSEGRKBQZSC-YLJYHZDGSA-N 0 0 488.474 4.757 20 0 JJADRN CCc1cccc2c(CC(=O)N3CCN([C@@H](C)c4ccc(Br)cc4)CC3)c[nH]c21 ZINC001456329244 1066563192 /nfs/dbraw/zinc/56/31/92/1066563192.db2.gz IYLVVCLFUYOPAA-KRWDZBQOSA-N 0 0 454.412 4.941 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)Nc3cc(C(=O)OC(C)C)n[nH]3)c(-c3ccc(C)cc3)n2)cc1 ZINC001456329025 1066563359 /nfs/dbraw/zinc/56/33/59/1066563359.db2.gz HDCQHCWIAHVRKG-UHFFFAOYSA-N 0 0 457.534 4.756 20 0 JJADRN O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001361225383 1066564074 /nfs/dbraw/zinc/56/40/74/1066564074.db2.gz ZDIWZJGMPVTKIH-QGZVFWFLSA-N 0 0 454.311 4.914 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC001456331376 1066564421 /nfs/dbraw/zinc/56/44/21/1066564421.db2.gz MONRQSVOKWZTTL-UZUQRXQVSA-N 0 0 455.553 4.898 20 0 JJADRN C[C@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1c(F)cccc1Cl ZINC001445375488 1066564470 /nfs/dbraw/zinc/56/44/70/1066564470.db2.gz JIFJYKPISAWUHO-HNNXBMFYSA-N 0 0 459.974 4.859 20 0 JJADRN CCc1cc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC001456335386 1066564475 /nfs/dbraw/zinc/56/44/75/1066564475.db2.gz DWJZOHKJZLSVDR-UHFFFAOYSA-N 0 0 458.440 4.636 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC001445376479 1066564916 /nfs/dbraw/zinc/56/49/16/1066564916.db2.gz LWTBPYDWRPYYDW-UHFFFAOYSA-N 0 0 452.507 4.953 20 0 JJADRN Cc1sc(NC(=O)c2sccc2S(=O)(=O)C(F)F)nc1-c1ccc2c(c1)CCC2 ZINC001361226755 1066564895 /nfs/dbraw/zinc/56/48/95/1066564895.db2.gz XBWZSENGTYFPEC-UHFFFAOYSA-N 0 0 454.545 4.917 20 0 JJADRN CCC1(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001361226733 1066564974 /nfs/dbraw/zinc/56/49/74/1066564974.db2.gz WSCMRFLGWOYEOY-UHFFFAOYSA-N 0 0 450.579 4.842 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@]2(O)CCCC2(C)C)cc1Br ZINC001361226964 1066565022 /nfs/dbraw/zinc/56/50/22/1066565022.db2.gz CXZMFIJMNHIZFK-HSZRJFAPSA-N 0 0 477.447 4.572 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1 ZINC001445387440 1066565460 /nfs/dbraw/zinc/56/54/60/1066565460.db2.gz BCMPKWDEZYYDRJ-GFCCVEGCSA-N 0 0 453.948 4.536 20 0 JJADRN Cc1cccc(C(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)c2cccc(C)c2)c1 ZINC001445387411 1066565623 /nfs/dbraw/zinc/56/56/23/1066565623.db2.gz AJLFFOYWCKNLNW-VWLOTQADSA-N 0 0 458.606 4.540 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1OC ZINC001456340776 1066565898 /nfs/dbraw/zinc/56/58/98/1066565898.db2.gz SGDVPWHFLMHMHL-UHFFFAOYSA-N 0 0 454.995 4.999 20 0 JJADRN CCn1c(SCC(=O)N(C)C2CCC(OC)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC001456342042 1066565980 /nfs/dbraw/zinc/56/59/80/1066565980.db2.gz WILOSRRPTIYFRT-UHFFFAOYSA-N 0 0 457.427 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCOc2ccc(F)cc2F)C2(CCCCC2)C1 ZINC001456342729 1066566338 /nfs/dbraw/zinc/56/63/38/1066566338.db2.gz XDOZHGYYVVNFEC-UHFFFAOYSA-N 0 0 452.542 4.906 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@]2(C)CCCO2)cc1Br ZINC001361227869 1066566534 /nfs/dbraw/zinc/56/65/34/1066566534.db2.gz XJZNMDSXVNLIKD-CVDCTZTESA-N 0 0 477.447 4.836 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 ZINC001445394394 1066566504 /nfs/dbraw/zinc/56/65/04/1066566504.db2.gz SUXMBWMOBNYOAD-QHCPKHFHSA-N 0 0 454.592 4.949 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001456346634 1066566750 /nfs/dbraw/zinc/56/67/50/1066566750.db2.gz ZMNVEMVDZJNRCN-NLWGTHIKSA-N 0 0 456.926 4.552 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2(C)COC2)cc1Br ZINC001361227927 1066567064 /nfs/dbraw/zinc/56/70/64/1066567064.db2.gz YPDPKPNIYZVMTR-HSZRJFAPSA-N 0 0 477.447 4.694 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1CCCN1c1ncnc2ccccc21)Oc1cccc(C(F)(F)F)c1 ZINC001445399352 1066567152 /nfs/dbraw/zinc/56/71/52/1066567152.db2.gz XHMUCAYGYGARNO-LAUBAEHRSA-N 0 0 458.484 4.591 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnn(C(C)(C)C)c1I ZINC001456350744 1066567297 /nfs/dbraw/zinc/56/72/97/1066567297.db2.gz KBPBETWXXLFGAY-FMKPAKJESA-N 0 0 451.352 4.649 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cnn(C(C)(C)C)c1I ZINC001456350748 1066567310 /nfs/dbraw/zinc/56/73/10/1066567310.db2.gz KBPBETWXXLFGAY-IJEWVQPXSA-N 0 0 451.352 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](CCc4ccccc4)C3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361228835 1066567536 /nfs/dbraw/zinc/56/75/36/1066567536.db2.gz GTFVEMFSENKMQC-HOFKKMOUSA-N 0 0 466.626 4.872 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(I)c1N ZINC001445406899 1066567642 /nfs/dbraw/zinc/56/76/42/1066567642.db2.gz SYDWTVPXXJKUPE-KRWDZBQOSA-N 0 0 452.336 4.789 20 0 JJADRN CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC001445406745 1066567735 /nfs/dbraw/zinc/56/77/35/1066567735.db2.gz GMZDVSUSEJYTRW-LBPRGKRZSA-N 0 0 454.803 4.736 20 0 JJADRN CC1(C)CN(C(=O)c2sc3ncccc3c2N)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456352925 1066567687 /nfs/dbraw/zinc/56/76/87/1066567687.db2.gz ANSDRFBPEGBRTI-GOSISDBHSA-N 0 0 457.676 4.611 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4Cl)C3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361229106 1066568030 /nfs/dbraw/zinc/56/80/30/1066568030.db2.gz MQRITLWZOFGACK-FQEVSTJZSA-N 0 0 497.949 4.962 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC001361229181 1066568057 /nfs/dbraw/zinc/56/80/57/1066568057.db2.gz AEDALTYUTVOLRA-NRFANRHFSA-N 0 0 450.604 4.880 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC001445411356 1066568072 /nfs/dbraw/zinc/56/80/72/1066568072.db2.gz JUECBBCEFYPIER-UHFFFAOYSA-N 0 0 452.551 4.689 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)Cc1ccccn1 ZINC001445407972 1066568253 /nfs/dbraw/zinc/56/82/53/1066568253.db2.gz CGXOWJGZXNTTFN-HXUWFJFHSA-N 0 0 457.574 4.995 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@@H]3C)CC2=O)ccc1Br ZINC001456353469 1066568295 /nfs/dbraw/zinc/56/82/95/1066568295.db2.gz SQCWCLHFRRGFAF-SHJAMOMRSA-N 0 0 455.396 4.904 20 0 JJADRN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456354868 1066568460 /nfs/dbraw/zinc/56/84/60/1066568460.db2.gz VXFBGQCSAYOUBY-RPWUZVMVSA-N 0 0 456.920 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4C)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361229479 1066568573 /nfs/dbraw/zinc/56/85/73/1066568573.db2.gz QYUJJNPOHGXBJX-WMZHIEFXSA-N 0 0 495.624 4.988 20 0 JJADRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)CC1(CSc2ccccc2)CC1 ZINC001445413911 1066568698 /nfs/dbraw/zinc/56/86/98/1066568698.db2.gz APFFRBATRHUGKT-KRWDZBQOSA-N 0 0 453.526 4.866 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1SC(F)(F)F ZINC001445418834 1066568774 /nfs/dbraw/zinc/56/87/74/1066568774.db2.gz GBSAOTQTLJIPNA-ZDUSSCGKSA-N 0 0 453.404 4.829 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001445416636 1066568877 /nfs/dbraw/zinc/56/88/77/1066568877.db2.gz DMURIIQZVNDOSL-CYBMUJFWSA-N 0 0 455.782 4.890 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001445416641 1066568917 /nfs/dbraw/zinc/56/89/17/1066568917.db2.gz DMURIIQZVNDOSL-ZDUSSCGKSA-N 0 0 455.782 4.890 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)c2)n1 ZINC001456355354 1066568853 /nfs/dbraw/zinc/56/88/53/1066568853.db2.gz AUIIALYILMRQDR-UHFFFAOYSA-N 0 0 455.967 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC4(C3)CCCCCC4)n2CCCN(C)CC(F)(F)F)o1 ZINC001361229839 1066569062 /nfs/dbraw/zinc/56/90/62/1066569062.db2.gz XWLMJPWAYSEINU-UHFFFAOYSA-N 0 0 469.552 4.660 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361229814 1066569133 /nfs/dbraw/zinc/56/91/33/1066569133.db2.gz XLHUESGGFXIEPW-OAQYLSRUSA-N 0 0 499.587 4.867 20 0 JJADRN CCCCO[C@@H]1C[C@@H](N(C)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1(C)C ZINC001445419451 1066569385 /nfs/dbraw/zinc/56/93/85/1066569385.db2.gz UXQQZYOJCYRAAQ-QZTJIDSGSA-N 0 0 450.649 4.747 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC[C@H](C)Oc3ccccc3Cl)cc2)cc1 ZINC001361230017 1066569584 /nfs/dbraw/zinc/56/95/84/1066569584.db2.gz LHYPZSBIUNELGA-SFHVURJKSA-N 0 0 457.979 4.820 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001445426272 1066569795 /nfs/dbraw/zinc/56/97/95/1066569795.db2.gz MCDITXSXBAVUNT-GJZGRUSLSA-N 0 0 457.983 4.948 20 0 JJADRN COc1cccc(-c2ccc(CNC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)cc2)c1 ZINC001456359085 1066569909 /nfs/dbraw/zinc/56/99/09/1066569909.db2.gz KGZUNHBJKUGVTM-UHFFFAOYSA-N 0 0 452.436 4.892 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC001361230518 1066570019 /nfs/dbraw/zinc/57/00/19/1066570019.db2.gz WQVKLSMWXVDDHT-JKSUJKDBSA-N 0 0 456.029 4.588 20 0 JJADRN CCn1nc(NC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc1C1CC1 ZINC001445429795 1066570348 /nfs/dbraw/zinc/57/03/48/1066570348.db2.gz OJAZOXAVYZRTID-UHFFFAOYSA-N 0 0 453.587 4.601 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@@H]1C ZINC001361230868 1066570418 /nfs/dbraw/zinc/57/04/18/1066570418.db2.gz DXRVHRCLHJTJFA-KRWDZBQOSA-N 0 0 489.487 4.943 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H]2CCCS2)cc1Br ZINC001361231118 1066570920 /nfs/dbraw/zinc/57/09/20/1066570920.db2.gz LPOKBXLNAVJSPD-ZBFHGGJFSA-N 0 0 453.475 4.853 20 0 JJADRN C[C@@H](NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438008 1066571593 /nfs/dbraw/zinc/57/15/93/1066571593.db2.gz GHUAXOSTSDVLMP-BKTORNKPSA-N 0 0 460.962 4.747 20 0 JJADRN O=C(CCCCc1ccc(Br)cc1)Nc1ccc(I)cn1 ZINC001456362937 1066571685 /nfs/dbraw/zinc/57/16/85/1066571685.db2.gz VQRXNOMUQLCODD-UHFFFAOYSA-N 0 0 459.125 4.800 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001456364307 1066571705 /nfs/dbraw/zinc/57/17/05/1066571705.db2.gz ZULGWVSKYSPYHU-SANMLTNESA-N 0 0 459.542 4.845 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC001456363220 1066571721 /nfs/dbraw/zinc/57/17/21/1066571721.db2.gz LPGJFTCUELGUTP-QGZVFWFLSA-N 0 0 452.986 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC001361231747 1066571882 /nfs/dbraw/zinc/57/18/82/1066571882.db2.gz TZALJAKKAGVLEW-CABCVRRESA-N 0 0 467.517 4.561 20 0 JJADRN CC(C)CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC001445441934 1066572040 /nfs/dbraw/zinc/57/20/40/1066572040.db2.gz AXDOTPOVRHFOHG-SFHVURJKSA-N 0 0 453.396 4.725 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@](C)(O)c2ccccc2Cl)o1 ZINC001361232004 1066572327 /nfs/dbraw/zinc/57/23/27/1066572327.db2.gz UXNBXDNQLDKVPW-REWPJTCUSA-N 0 0 461.031 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@](C)(O)c2ccccc2Cl)o1 ZINC001361232001 1066572436 /nfs/dbraw/zinc/57/24/36/1066572436.db2.gz UXNBXDNQLDKVPW-NFBKMPQASA-N 0 0 461.031 4.985 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC001445452496 1066572467 /nfs/dbraw/zinc/57/24/67/1066572467.db2.gz FBWGRQXEAGNFKF-MRXNPFEDSA-N 0 0 452.389 4.773 20 0 JJADRN Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001456369466 1066572452 /nfs/dbraw/zinc/57/24/52/1066572452.db2.gz DUUCDNGRRBGBFT-QGZVFWFLSA-N 0 0 457.571 4.885 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC001456369593 1066572492 /nfs/dbraw/zinc/57/24/92/1066572492.db2.gz VISCCBSGSFIOLV-UHFFFAOYSA-N 0 0 455.461 4.785 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2cnn(-c3cccc(Br)c3)c2)c1 ZINC001456369169 1066572659 /nfs/dbraw/zinc/57/26/59/1066572659.db2.gz RVTOMDYVTMAJNZ-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN COc1cc(CN(C)C(=O)c2cccc(Sc3cccc(Br)c3)n2)sn1 ZINC001456368780 1066572724 /nfs/dbraw/zinc/57/27/24/1066572724.db2.gz BBHBXJATOAINPB-UHFFFAOYSA-N 0 0 450.383 4.733 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCCCO2)cc1Br ZINC001361232517 1066572883 /nfs/dbraw/zinc/57/28/83/1066572883.db2.gz PZVCFSKKLXSNNB-ZIFCJYIRSA-N 0 0 463.420 4.589 20 0 JJADRN CC(C)CC1CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001445455178 1066573230 /nfs/dbraw/zinc/57/32/30/1066573230.db2.gz ZXZHZWPVJNMQGV-RTBURBONSA-N 0 0 456.656 4.620 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@]2(O)CCCC2(C)C)cc1Br ZINC001361232731 1066573237 /nfs/dbraw/zinc/57/32/37/1066573237.db2.gz VWUUQYBBNZVWMI-FXCLAUTBSA-N 0 0 465.411 4.751 20 0 JJADRN Cc1cc([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)[nH]n1 ZINC001456380942 1066573676 /nfs/dbraw/zinc/57/36/76/1066573676.db2.gz IPROUZJDLXMYSJ-GGAORHGYSA-N 0 0 450.970 4.987 20 0 JJADRN Cc1nc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)cc2)cs1 ZINC001456379649 1066573736 /nfs/dbraw/zinc/57/37/36/1066573736.db2.gz DLJLPWPIOWKNST-IBGZPJMESA-N 0 0 457.502 4.645 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)c2)cs1 ZINC001456376161 1066573884 /nfs/dbraw/zinc/57/38/84/1066573884.db2.gz NSARUCOLZLQZME-IBGZPJMESA-N 0 0 457.502 4.645 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC001445464931 1066574092 /nfs/dbraw/zinc/57/40/92/1066574092.db2.gz SRSMAENEYUTGRS-UHFFFAOYSA-N 0 0 453.547 4.853 20 0 JJADRN Cc1ccc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1S(C)(=O)=O ZINC001445463750 1066574118 /nfs/dbraw/zinc/57/41/18/1066574118.db2.gz OXNZKXZBWSJXLK-UHFFFAOYSA-N 0 0 456.391 4.527 20 0 JJADRN C[C@@H](C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)n1ccc(C(F)(F)F)n1 ZINC001445463939 1066574148 /nfs/dbraw/zinc/57/41/48/1066574148.db2.gz QJFKDSULSCVXGN-LBPRGKRZSA-N 0 0 450.288 4.978 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccc(C)cc2)n1 ZINC001361233962 1066574354 /nfs/dbraw/zinc/57/43/54/1066574354.db2.gz JXZZBKMBQCRKIY-NRFANRHFSA-N 0 0 466.655 4.854 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)C1 ZINC001456382965 1066574344 /nfs/dbraw/zinc/57/43/44/1066574344.db2.gz LNEYFZKHEXLHPM-KRWDZBQOSA-N 0 0 456.867 4.922 20 0 JJADRN CCCc1c(C(=O)N2CC[C@@H]2Cc2ccc(OC)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001445468108 1066574598 /nfs/dbraw/zinc/57/45/98/1066574598.db2.gz VQUBYPBMMBHAKT-QGZVFWFLSA-N 0 0 455.505 4.577 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001445473922 1066575203 /nfs/dbraw/zinc/57/52/03/1066575203.db2.gz FENZKGDSDMTLFI-UHFFFAOYSA-N 0 0 458.436 4.631 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001361235756 1066575873 /nfs/dbraw/zinc/57/58/73/1066575873.db2.gz YZNOGLFUJHANFB-NBYUQASBSA-N 0 0 499.603 4.832 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br)c1ccccc1 ZINC001445478940 1066575952 /nfs/dbraw/zinc/57/59/52/1066575952.db2.gz ODOQJRPNTYELQA-IBGZPJMESA-N 0 0 452.352 4.572 20 0 JJADRN O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001445483814 1066576056 /nfs/dbraw/zinc/57/60/56/1066576056.db2.gz TYCYMNACWJJCDH-UHFFFAOYSA-N 0 0 454.374 4.620 20 0 JJADRN COCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC001456392410 1066576031 /nfs/dbraw/zinc/57/60/31/1066576031.db2.gz DDCSEFRMTNSHGA-UHFFFAOYSA-N 0 0 459.951 4.591 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)o1 ZINC001361235764 1066576356 /nfs/dbraw/zinc/57/63/56/1066576356.db2.gz ZBPNKHFTPDIFCH-QUCCMNQESA-N 0 0 469.561 4.715 20 0 JJADRN CC[C@H](NC(=O)c1cnc(OC)nc1)c1ccccc1OCc1ccccc1Br ZINC001456392451 1066576639 /nfs/dbraw/zinc/57/66/39/1066576639.db2.gz DHEKXUJEKJUPRW-IBGZPJMESA-N 0 0 456.340 4.708 20 0 JJADRN CC[C@@H](NC(=O)Cc1cnn(C)c1C)c1ccccc1OCc1ccccc1Br ZINC001456392589 1066576648 /nfs/dbraw/zinc/57/66/48/1066576648.db2.gz DOUOXUPQNKJJNL-OAQYLSRUSA-N 0 0 456.384 4.880 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361236020 1066576722 /nfs/dbraw/zinc/57/67/22/1066576722.db2.gz CGQVYFFOJIDXQX-ZCNNSNEGSA-N 0 0 473.618 4.574 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOC(C)C)o1 ZINC001361236016 1066576819 /nfs/dbraw/zinc/57/68/19/1066576819.db2.gz CGOUJNBCFTWCKW-QFIPXVFZSA-N 0 0 486.638 4.797 20 0 JJADRN CC[C@H]1[C@H](C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001445486724 1066576831 /nfs/dbraw/zinc/57/68/31/1066576831.db2.gz QKYZJWJGHPNSMU-MOPGFXCFSA-N 0 0 456.505 4.622 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCCO)o1 ZINC001361236438 1066577207 /nfs/dbraw/zinc/57/72/07/1066577207.db2.gz IYINVJAJEMRKEM-QFIPXVFZSA-N 0 0 452.599 4.885 20 0 JJADRN CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001445491205 1066577334 /nfs/dbraw/zinc/57/73/34/1066577334.db2.gz NIKSPTVASGDQFT-XCZPVHLTSA-N 0 0 458.602 4.587 20 0 JJADRN CSc1ncc(C(=O)NCc2csc(CCc3ccccc3)n2)n1-c1ccc(F)cc1 ZINC001445488285 1066577423 /nfs/dbraw/zinc/57/74/23/1066577423.db2.gz JWIPNVSDQBJDJY-UHFFFAOYSA-N 0 0 452.580 4.905 20 0 JJADRN CCOc1c(Cl)cc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1OC ZINC001456394689 1066577549 /nfs/dbraw/zinc/57/75/49/1066577549.db2.gz UKUMWDNJLJRJIP-UHFFFAOYSA-N 0 0 459.951 4.974 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC001445498296 1066577751 /nfs/dbraw/zinc/57/77/51/1066577751.db2.gz FQHCBSSBZVGGSF-UKRRQHHQSA-N 0 0 458.194 4.751 20 0 JJADRN CC[C@H](CNC(=O)CSc1nnc(-c2cccs2)n1CC)Oc1cccc(Cl)c1 ZINC001445492959 1066577984 /nfs/dbraw/zinc/57/79/84/1066577984.db2.gz JELWGIDRIGGVND-OAHLLOKOSA-N 0 0 451.017 4.746 20 0 JJADRN COc1cnc(C2(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)[nH]c1=O ZINC001456396701 1066578062 /nfs/dbraw/zinc/57/80/62/1066578062.db2.gz MILNYKFEZAMFQQ-UHFFFAOYSA-N 0 0 455.599 4.750 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(Cc3csc(C)n3)n2CCCOCC(F)F)o1 ZINC001361237700 1066578190 /nfs/dbraw/zinc/57/81/90/1066578190.db2.gz RTJAPJVJMVKCIQ-QGZVFWFLSA-N 0 0 451.543 4.549 20 0 JJADRN C[C@H]1CCCC[C@@H]1CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001456399208 1066578567 /nfs/dbraw/zinc/57/85/67/1066578567.db2.gz MMSDKMRXYNPING-DLBZAZTESA-N 0 0 456.446 4.868 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001545975852 1066578672 /nfs/dbraw/zinc/57/86/72/1066578672.db2.gz ACNOPFCBBLTSNQ-FQEVSTJZSA-N 0 0 454.514 4.582 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccc(C)cc3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001361238371 1066579092 /nfs/dbraw/zinc/57/90/92/1066579092.db2.gz VZTVIFLGIFHCPM-HSZRJFAPSA-N 0 0 493.656 4.657 20 0 JJADRN CC[C@@H](NC(=O)c1cnn(C)c1OC)c1ccccc1OCc1ccccc1Br ZINC001456408133 1066579726 /nfs/dbraw/zinc/57/97/26/1066579726.db2.gz YFJXHGWZCIGXGW-LJQANCHMSA-N 0 0 458.356 4.651 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCCC[C@H]2c2noc(C(C)C)n2)c1C ZINC001361238781 1066579702 /nfs/dbraw/zinc/57/97/02/1066579702.db2.gz ZNZJXVBYMZTTOU-INIZCTEOSA-N 0 0 453.324 4.782 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361238732 1066579875 /nfs/dbraw/zinc/57/98/75/1066579875.db2.gz XQGQECSURUEAED-AZUAARDMSA-N 0 0 459.591 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCC(Cc3ccccc3F)CC2)(C(F)(F)F)C1 ZINC001445515405 1066579871 /nfs/dbraw/zinc/57/98/71/1066579871.db2.gz PAVRALGVSNULNB-JOCHJYFZSA-N 0 0 458.496 4.796 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1 ZINC001456407356 1066579877 /nfs/dbraw/zinc/57/98/77/1066579877.db2.gz DVNSMDPZQKVUIZ-UHFFFAOYSA-N 0 0 454.401 4.688 20 0 JJADRN COc1c(F)cc(F)cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001445516369 1066579913 /nfs/dbraw/zinc/57/99/13/1066579913.db2.gz OSJFBMRJLDKNMB-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(C)cc3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361238800 1066580178 /nfs/dbraw/zinc/58/01/78/1066580178.db2.gz XVCVZCIEGMDBGP-FQEVSTJZSA-N 0 0 456.612 4.710 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCCC[C@@H]2c2noc(C(C)C)n2)c1C ZINC001361238782 1066580207 /nfs/dbraw/zinc/58/02/07/1066580207.db2.gz ZNZJXVBYMZTTOU-MRXNPFEDSA-N 0 0 453.324 4.782 20 0 JJADRN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)OC2(C)C)cc1NC(=O)C1CCCCC1 ZINC001456409841 1066580375 /nfs/dbraw/zinc/58/03/75/1066580375.db2.gz JTCMKQLFXANMDP-JOCHJYFZSA-N 0 0 450.535 4.885 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)nnc2-c2ccco2)cc1 ZINC001456409764 1066580464 /nfs/dbraw/zinc/58/04/64/1066580464.db2.gz HJPNZOGQPTUUOH-FUHIMQAGSA-N 0 0 454.596 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)CC1CCCCC1 ZINC001445518352 1066580533 /nfs/dbraw/zinc/58/05/33/1066580533.db2.gz ZYDPXMLWPXLWEG-UXHICEINSA-N 0 0 452.636 4.963 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)O[C@H](C)C2 ZINC001361238955 1066580755 /nfs/dbraw/zinc/58/07/55/1066580755.db2.gz TVYHRBPNSXWOIO-QGZVFWFLSA-N 0 0 454.954 4.978 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)=NN1c1ccccc1 ZINC001361238992 1066580767 /nfs/dbraw/zinc/58/07/67/1066580767.db2.gz UFYAYTZIVDLCPK-CCLHPLFOSA-N 0 0 455.558 4.975 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)ccc1Cl ZINC001456410594 1066580958 /nfs/dbraw/zinc/58/09/58/1066580958.db2.gz HPNHYXAEZBKEPH-UVDDSOTQSA-N 0 0 452.963 4.554 20 0 JJADRN O=C(CSc1ccc(F)cc1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001456415631 1066581318 /nfs/dbraw/zinc/58/13/18/1066581318.db2.gz ZDLMKXZVLHNWIE-UHFFFAOYSA-N 0 0 451.310 4.906 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)C)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361239499 1066581396 /nfs/dbraw/zinc/58/13/96/1066581396.db2.gz HBFZEMCOMHMHHL-AHWVRZQESA-N 0 0 454.659 4.942 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N(C)CCn2cccn2)cc1 ZINC001361239272 1066581445 /nfs/dbraw/zinc/58/14/45/1066581445.db2.gz ARIFLARPYQIYED-UPVQGACJSA-N 0 0 450.631 4.676 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC001361239942 1066581723 /nfs/dbraw/zinc/58/17/23/1066581723.db2.gz LQLUEHWCYRRYGH-CALCHBBNSA-N 0 0 474.472 4.927 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 ZINC001361239944 1066581783 /nfs/dbraw/zinc/58/17/83/1066581783.db2.gz LQLUEHWCYRRYGH-IAGOWNOFSA-N 0 0 474.472 4.927 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)C(C)(C)Cc3ccc(Br)c(C)c3)C2=O)cc1 ZINC001361240258 1066582167 /nfs/dbraw/zinc/58/21/67/1066582167.db2.gz KGMZHOAOPXZCGC-NRFANRHFSA-N 0 0 457.412 4.946 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c(C)c1 ZINC001361241304 1066582606 /nfs/dbraw/zinc/58/26/06/1066582606.db2.gz AIFRQTJTGPCWRE-HXUWFJFHSA-N 0 0 459.516 4.747 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)C3(c4ccc(Br)cc4)CCCC3)C2=O)cc1 ZINC001361240767 1066582747 /nfs/dbraw/zinc/58/27/47/1066582747.db2.gz RLXRCPUVIVIXJS-NRFANRHFSA-N 0 0 455.396 4.881 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c(C)c1 ZINC001361241303 1066582752 /nfs/dbraw/zinc/58/27/52/1066582752.db2.gz AIFRQTJTGPCWRE-FQEVSTJZSA-N 0 0 459.516 4.747 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(C)cc3C)C2)sc1C ZINC001361240891 1066582775 /nfs/dbraw/zinc/58/27/75/1066582775.db2.gz XRVZFIHUGATALN-QFIPXVFZSA-N 0 0 480.682 4.733 20 0 JJADRN Cn1nc(Br)cc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001361240824 1066582787 /nfs/dbraw/zinc/58/27/87/1066582787.db2.gz SJWCYNZEMWMVJG-UHFFFAOYSA-N 0 0 454.246 4.924 20 0 JJADRN Cn1cnc(CCNC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1Br ZINC001456428604 1066582915 /nfs/dbraw/zinc/58/29/15/1066582915.db2.gz QRCZGSVOEDHJMA-VQHVLOKHSA-N 0 0 450.789 4.937 20 0 JJADRN COc1ccc([C@H](NC(=O)CSc2ccccc2OC)c2ccc(OC)cc2OC)cc1 ZINC001456429924 1066583089 /nfs/dbraw/zinc/58/30/89/1066583089.db2.gz KGADUHGWGZZXLC-VWLOTQADSA-N 0 0 453.560 4.719 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOCC2CC2)c(C)c1 ZINC001361241505 1066583268 /nfs/dbraw/zinc/58/32/68/1066583268.db2.gz HDKQLMUIRPTRCJ-UHFFFAOYSA-N 0 0 472.431 4.758 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)n2)c1 ZINC001545976369 1066583577 /nfs/dbraw/zinc/58/35/77/1066583577.db2.gz MHMWNMQGQIOVSC-UHFFFAOYSA-N 0 0 459.453 4.980 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1 ZINC001456432990 1066583955 /nfs/dbraw/zinc/58/39/55/1066583955.db2.gz RYVCIWPRHVLXEN-KRWDZBQOSA-N 0 0 453.564 4.820 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)cn2)c1C ZINC001456433182 1066584199 /nfs/dbraw/zinc/58/41/99/1066584199.db2.gz UABYTSIKNWVKMP-FQEVSTJZSA-N 0 0 455.555 4.845 20 0 JJADRN Cc1cc(F)ccc1CCNC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001445533681 1066584239 /nfs/dbraw/zinc/58/42/39/1066584239.db2.gz ULZFQCBMQMOOSF-UHFFFAOYSA-N 0 0 459.315 4.635 20 0 JJADRN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3cc(Br)ccc3c1)CC2 ZINC001445534128 1066584273 /nfs/dbraw/zinc/58/42/73/1066584273.db2.gz WSBITSMYXFOPQI-UHFFFAOYSA-N 0 0 455.352 4.616 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(Oc4cccc(C)c4C)nc3)C2=O)c1 ZINC001456433192 1066584311 /nfs/dbraw/zinc/58/43/11/1066584311.db2.gz UATQDMTZBAEPOH-NRFANRHFSA-N 0 0 458.518 4.643 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)CCN1C(=O)OC(C)(C)C ZINC001445537837 1066584785 /nfs/dbraw/zinc/58/47/85/1066584785.db2.gz DUZJWVXVBHKIDB-HBMCJLEFSA-N 0 0 458.624 4.846 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001445537517 1066584867 /nfs/dbraw/zinc/58/48/67/1066584867.db2.gz RYTYBDPUXURJMI-UHFFFAOYSA-N 0 0 459.999 4.989 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(C(=O)Cc1cc(Cl)cc(Cl)c1)CCO2 ZINC001456434248 1066585035 /nfs/dbraw/zinc/58/50/35/1066585035.db2.gz IIXUVVHUXQOILM-UHFFFAOYSA-N 0 0 457.398 4.601 20 0 JJADRN Cc1ccc(CCn2c(Cc3cccnc3)nnc2N(C)Cc2cnc(C(C)C)nc2)c(C)c1 ZINC001361243345 1066585157 /nfs/dbraw/zinc/58/51/57/1066585157.db2.gz MNNNUARJODYVCN-UHFFFAOYSA-N 0 0 455.610 4.673 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC(C)(C)[C@@H]2C)cc1 ZINC001361243491 1066585216 /nfs/dbraw/zinc/58/52/16/1066585216.db2.gz NLBNRJQCZPQSPU-NRFANRHFSA-N 0 0 497.684 4.947 20 0 JJADRN Cc1ccc(CCn2c(Cc3cccnc3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001361243256 1066585275 /nfs/dbraw/zinc/58/52/75/1066585275.db2.gz LCUSRCDGFXBNOB-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1cc(OCC(F)F)ccn1 ZINC001445538830 1066585215 /nfs/dbraw/zinc/58/52/15/1066585215.db2.gz RNYMRWHQJKWVJH-UHFFFAOYSA-N 0 0 457.662 4.784 20 0 JJADRN O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(Br)ccc1Br ZINC001445538742 1066585413 /nfs/dbraw/zinc/58/54/13/1066585413.db2.gz GXOSCZKKAUTGKS-AWEZNQCLSA-N 0 0 455.171 4.890 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243888 1066585617 /nfs/dbraw/zinc/58/56/17/1066585617.db2.gz WXORKKGFAXEEAT-XZOQPEGZSA-N 0 0 483.657 4.812 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)C2)cc1 ZINC001361243765 1066585660 /nfs/dbraw/zinc/58/56/60/1066585660.db2.gz UDQRGOMQDLOQMF-RBBKRZOGSA-N 0 0 453.631 4.790 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@H]3C[C@@H]3C)ccc2[nH]1 ZINC001445541497 1066585787 /nfs/dbraw/zinc/58/57/87/1066585787.db2.gz OUMWWYJFCBRLIZ-HOCLYGCPSA-N 0 0 450.539 4.770 20 0 JJADRN CCCCc1nc2cc(NC(=O)[C@@H]3Cc4ccc(O)cc4N3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001445543057 1066585810 /nfs/dbraw/zinc/58/58/10/1066585810.db2.gz QWETYKVALDIJST-NRFANRHFSA-N 0 0 450.539 4.916 20 0 JJADRN CN(CCC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)C(=O)OCc1ccccc1 ZINC001456437046 1066585998 /nfs/dbraw/zinc/58/59/98/1066585998.db2.gz CDZQFUAUQMYHLQ-YTTGMZPUSA-N 0 0 450.560 4.592 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243945 1066586056 /nfs/dbraw/zinc/58/60/56/1066586056.db2.gz YOYZQZXSUZVGIL-FCHUYYIVSA-N 0 0 469.630 4.516 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(C)nc3cc(C)nn32)c2ccccc2Cl)c(OC)c1 ZINC001361244229 1066586183 /nfs/dbraw/zinc/58/61/83/1066586183.db2.gz GDRQMCZBHUHAQJ-HSZRJFAPSA-N 0 0 450.926 4.536 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)NCc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2=O)c1 ZINC001445545898 1066586159 /nfs/dbraw/zinc/58/61/59/1066586159.db2.gz PDPAENBCGYALFD-INIZCTEOSA-N 0 0 455.967 4.695 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3ccccc3nc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456439177 1066586519 /nfs/dbraw/zinc/58/65/19/1066586519.db2.gz RADPIOJPTZESFB-MRXNPFEDSA-N 0 0 459.974 4.519 20 0 JJADRN Cc1ccc(CCn2c(N(C)[C@@H](C)c3ccco3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245083 1066586517 /nfs/dbraw/zinc/58/65/17/1066586517.db2.gz DEPVZGJGARSNRD-LVXARBLLSA-N 0 0 452.599 4.969 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001361244353 1066586540 /nfs/dbraw/zinc/58/65/40/1066586540.db2.gz JLCBYOKOGDVTFT-OAHLLOKOSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC001361245098 1066586669 /nfs/dbraw/zinc/58/66/69/1066586669.db2.gz DNGXWURUYQDJMC-HDICACEKSA-N 0 0 473.593 4.548 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC001456440313 1066586866 /nfs/dbraw/zinc/58/68/66/1066586866.db2.gz DSGODYMRVAIOLZ-WMZOPIPTSA-N 0 0 451.325 4.555 20 0 JJADRN Cc1cn(C2CCOCC2)nc1C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC001456441094 1066587014 /nfs/dbraw/zinc/58/70/14/1066587014.db2.gz KYHBVFAWEUNUOF-UHFFFAOYSA-N 0 0 453.387 4.743 20 0 JJADRN Cc1ccc(CCn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361245325 1066587183 /nfs/dbraw/zinc/58/71/83/1066587183.db2.gz KOUWOEMXEAZPMM-QFIPXVFZSA-N 0 0 453.631 4.584 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001361245624 1066587588 /nfs/dbraw/zinc/58/75/88/1066587588.db2.gz DRLAYFJJLPXLMV-HKBQPEDESA-N 0 0 451.445 4.770 20 0 JJADRN Cc1ccc(CCn2c(N(C)C[C@@H]3CC=CCC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245720 1066587598 /nfs/dbraw/zinc/58/75/98/1066587598.db2.gz SLMFQCYQAUXAQC-YIXXDRMTSA-N 0 0 452.643 4.971 20 0 JJADRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001445562822 1066587714 /nfs/dbraw/zinc/58/77/14/1066587714.db2.gz YOMUQGMVHKNFCL-ADLMAVQZSA-N 0 0 451.354 4.654 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC001445563731 1066587827 /nfs/dbraw/zinc/58/78/27/1066587827.db2.gz QIEVNGPXJPLTFI-LAUBAEHRSA-N 0 0 455.400 4.760 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC001445563767 1066587881 /nfs/dbraw/zinc/58/78/81/1066587881.db2.gz QIEVNGPXJPLTFI-UWJYYQICSA-N 0 0 455.400 4.760 20 0 JJADRN Cc1ccc(CCn2c(N3CCC(CNC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001361246170 1066588373 /nfs/dbraw/zinc/58/83/73/1066588373.db2.gz ZOKMUTNKZDYJQS-UHFFFAOYSA-N 0 0 455.647 4.868 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cc4cnn(C(C)C)c4nc3C)CCCCC2)cc1OC ZINC001456448146 1066588957 /nfs/dbraw/zinc/58/89/57/1066588957.db2.gz NFQFLLHAMXZRKF-UHFFFAOYSA-N 0 0 450.583 4.970 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)o1 ZINC001361246850 1066588950 /nfs/dbraw/zinc/58/89/50/1066588950.db2.gz GEGMNDLRCFIRFN-OAHLLOKOSA-N 0 0 485.013 4.660 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(C(F)(F)F)CC2)o1 ZINC001361246852 1066588998 /nfs/dbraw/zinc/58/89/98/1066588998.db2.gz GGQFGXNDMQPNET-UHFFFAOYSA-N 0 0 476.503 4.832 20 0 JJADRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc2c(Br)cccc2cn1 ZINC001456448330 1066589089 /nfs/dbraw/zinc/58/90/89/1066589089.db2.gz LKVZTSDQDCAXCS-UHFFFAOYSA-N 0 0 457.715 4.673 20 0 JJADRN CO[C@@](C)(C(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1)C(=O)OC(C)(C)C ZINC001456449257 1066589520 /nfs/dbraw/zinc/58/95/20/1066589520.db2.gz VBOJDIZJTBIJPF-DEOSSOPVSA-N 0 0 457.958 4.732 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2C)s1 ZINC001361247146 1066589532 /nfs/dbraw/zinc/58/95/32/1066589532.db2.gz RCHURNWQKKIGEE-ICSRJNTNSA-N 0 0 467.639 4.826 20 0 JJADRN Cc1cnc([C@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)s1 ZINC001361247492 1066589937 /nfs/dbraw/zinc/58/99/37/1066589937.db2.gz FGBKFNGMUGUKKW-OAQYLSRUSA-N 0 0 456.589 4.717 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001361247872 1066590393 /nfs/dbraw/zinc/59/03/93/1066590393.db2.gz NFORQRJJGDGVQP-OAHLLOKOSA-N 0 0 453.381 4.839 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)s1 ZINC001361247936 1066590424 /nfs/dbraw/zinc/59/04/24/1066590424.db2.gz CSNBAZCGWKPYTQ-QGZVFWFLSA-N 0 0 454.575 4.654 20 0 JJADRN Cc1coc(-c2cc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2C)n1 ZINC001445581066 1066590527 /nfs/dbraw/zinc/59/05/27/1066590527.db2.gz BWJNLBABCIOMKT-UHFFFAOYSA-N 0 0 455.580 4.563 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)s1 ZINC001445582858 1066590657 /nfs/dbraw/zinc/59/06/57/1066590657.db2.gz KGCJNDATTIFWHL-DYVFJYSZSA-N 0 0 455.671 4.773 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)CC2=O)c1 ZINC001456451580 1066590516 /nfs/dbraw/zinc/59/05/16/1066590516.db2.gz INVHUBNMQMIJOS-GFCCVEGCSA-N 0 0 458.889 4.995 20 0 JJADRN COCCOc1cccc(CC(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 ZINC001456451086 1066590568 /nfs/dbraw/zinc/59/05/68/1066590568.db2.gz ZQDBTGJAAYDSDJ-UHFFFAOYSA-N 0 0 453.383 4.841 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC001456451342 1066590643 /nfs/dbraw/zinc/59/06/43/1066590643.db2.gz UMIXPJBTTMBUNV-UHFFFAOYSA-N 0 0 455.736 4.998 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N[C@H](C)CC(=O)c1ccccc1)NC(=O)OC(C)(C)C ZINC001445583367 1066590709 /nfs/dbraw/zinc/59/07/09/1066590709.db2.gz GVVOVZZGGCAYAV-NQIIRXRSSA-N 0 0 454.567 4.819 20 0 JJADRN Cc1cc(C(=O)NCc2csc(-c3ccco3)n2)c(I)cc1Cl ZINC001445581578 1066590715 /nfs/dbraw/zinc/59/07/15/1066590715.db2.gz GWDLITGOURZBBX-UHFFFAOYSA-N 0 0 458.708 4.900 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@H]3CC(Br)=NN3c3ccc(C)cc3)cc2)n[nH]1 ZINC001445584969 1066591002 /nfs/dbraw/zinc/59/10/02/1066591002.db2.gz HWRPEMNZEOFFKS-GOSISDBHSA-N 0 0 454.328 4.745 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)c2)cc1 ZINC001456452087 1066591019 /nfs/dbraw/zinc/59/10/19/1066591019.db2.gz YGQSFMLUJWZKGR-GOSISDBHSA-N 0 0 450.560 4.537 20 0 JJADRN CCC(CC)c1cc(CNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)on1 ZINC001361248230 1066591267 /nfs/dbraw/zinc/59/12/67/1066591267.db2.gz SEGOKXOEJMXXSX-QFIPXVFZSA-N 0 0 454.571 4.812 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)n(C)c2=O)o1 ZINC001361248186 1066591373 /nfs/dbraw/zinc/59/13/73/1066591373.db2.gz IENOLJXEQOCQBQ-NRFANRHFSA-N 0 0 475.593 4.628 20 0 JJADRN O=C(NCc1ccc(NC(=O)[C@@]23CCO[C@H]2CCCC3)cc1)c1ccc(Br)cc1 ZINC001456453430 1066591371 /nfs/dbraw/zinc/59/13/71/1066591371.db2.gz WIRMQLGARATFFB-REWPJTCUSA-N 0 0 457.368 4.667 20 0 JJADRN O=C(NCc1ccc(NC(=O)[C@]23CCO[C@H]2CCCC3)cc1)c1ccc(Br)cc1 ZINC001456453114 1066591386 /nfs/dbraw/zinc/59/13/86/1066591386.db2.gz WIRMQLGARATFFB-NZQKXSOJSA-N 0 0 457.368 4.667 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCCCC[C@H]3CC(=O)c3ccco3)c(=O)oc2c1 ZINC001445586463 1066591794 /nfs/dbraw/zinc/59/17/94/1066591794.db2.gz RNFSPEKWUGBDQY-FQEVSTJZSA-N 0 0 450.535 4.890 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001456456624 1066591899 /nfs/dbraw/zinc/59/18/99/1066591899.db2.gz PMLZVHBJTGISGX-UHFFFAOYSA-N 0 0 457.299 4.993 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC001456459493 1066591961 /nfs/dbraw/zinc/59/19/61/1066591961.db2.gz BUWKCDKJNMJNRM-CLYVBNDRSA-N 0 0 452.414 4.552 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)n2)s1 ZINC001361248691 1066592196 /nfs/dbraw/zinc/59/21/96/1066592196.db2.gz ODZUDCGVPRPSNL-JOCHJYFZSA-N 0 0 495.571 4.787 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC001456463289 1066592282 /nfs/dbraw/zinc/59/22/82/1066592282.db2.gz OUDOREAXEBNXFL-UHFFFAOYSA-N 0 0 458.961 4.696 20 0 JJADRN CCOC[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001456464062 1066592380 /nfs/dbraw/zinc/59/23/80/1066592380.db2.gz PZMZCLOHFFGNIY-INIZCTEOSA-N 0 0 454.368 4.948 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC001445589702 1066592656 /nfs/dbraw/zinc/59/26/56/1066592656.db2.gz YWUNGCCMHRTRCG-GOSISDBHSA-N 0 0 451.972 4.531 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361248888 1066592698 /nfs/dbraw/zinc/59/26/98/1066592698.db2.gz VGXBQQDNVDCNSN-RLWLMLJZSA-N 0 0 468.598 4.632 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CCO1 ZINC001546082670 1066592737 /nfs/dbraw/zinc/59/27/37/1066592737.db2.gz AXLSYOIJOSRRAQ-UQBPGWFLSA-N 0 0 460.594 4.769 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccc2N)CCC1 ZINC001456467016 1066592833 /nfs/dbraw/zinc/59/28/33/1066592833.db2.gz QONMBJDCSZOHKW-SFHVURJKSA-N 0 0 455.521 4.977 20 0 JJADRN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1OC(F)F ZINC001456467736 1066592844 /nfs/dbraw/zinc/59/28/44/1066592844.db2.gz YDLHPSXWVLCFSV-UHFFFAOYSA-N 0 0 456.848 4.580 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC001361249505 1066593327 /nfs/dbraw/zinc/59/33/27/1066593327.db2.gz RXFVJVJBBLXPCW-IFMALSPDSA-N 0 0 455.484 4.764 20 0 JJADRN CC1CCC(Oc2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)ccn2)CC1 ZINC001456473335 1066593590 /nfs/dbraw/zinc/59/35/90/1066593590.db2.gz CINVJXCKILHJTQ-RMXPPQQLSA-N 0 0 459.949 4.501 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2COCCO2)s1 ZINC001361249712 1066593555 /nfs/dbraw/zinc/59/35/55/1066593555.db2.gz CBXLXFHUWXJTCT-SFHVURJKSA-N 0 0 477.428 4.519 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1Br)c1ccc(F)cc1F ZINC001445599561 1066593618 /nfs/dbraw/zinc/59/36/18/1066593618.db2.gz HJATYBSGQOISCM-PMACEKPBSA-N 0 0 451.311 4.658 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001456471319 1066593729 /nfs/dbraw/zinc/59/37/29/1066593729.db2.gz UULLERNSPFXSIJ-JLHGSKIFSA-N 0 0 456.612 4.682 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001456474907 1066593760 /nfs/dbraw/zinc/59/37/60/1066593760.db2.gz GAMGDSQWQXYHMK-RUZDIDTESA-N 0 0 450.579 4.636 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCCCCO)s1 ZINC001361249792 1066594148 /nfs/dbraw/zinc/59/41/48/1066594148.db2.gz FYACWDAXJRVSES-UHFFFAOYSA-N 0 0 452.422 4.595 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001456475929 1066594196 /nfs/dbraw/zinc/59/41/96/1066594196.db2.gz ILYKAAZAZPIDRS-VGSWGCGISA-N 0 0 453.583 4.817 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456478829 1066594251 /nfs/dbraw/zinc/59/42/51/1066594251.db2.gz NOZORNZBIUHXPE-WMLDXEAASA-N 0 0 455.530 4.935 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001456481902 1066594473 /nfs/dbraw/zinc/59/44/73/1066594473.db2.gz VONABHZRHXJVLC-RHSMWYFYSA-N 0 0 455.530 4.935 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Br)CC1=O ZINC001445604615 1066594657 /nfs/dbraw/zinc/59/46/57/1066594657.db2.gz ZCLFULHYMTYYJW-VQIMIIECSA-N 0 0 457.368 4.564 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C1 ZINC001445603886 1066594840 /nfs/dbraw/zinc/59/48/40/1066594840.db2.gz GGJIGKRXEAZDQH-QGZVFWFLSA-N 0 0 452.580 4.594 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N2CCOCC2)o1 ZINC001361249970 1066595031 /nfs/dbraw/zinc/59/50/31/1066595031.db2.gz MJSMUZDVIFWQFZ-LJQANCHMSA-N 0 0 451.615 4.501 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccccc1 ZINC001445614806 1066595252 /nfs/dbraw/zinc/59/52/52/1066595252.db2.gz VKXJXGRSSWMYHF-DQEYMECFSA-N 0 0 457.574 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCn2ccnc2C)o1 ZINC001361250028 1066595569 /nfs/dbraw/zinc/59/55/69/1066595569.db2.gz OFUDEXLIBAZCJK-UHFFFAOYSA-N 0 0 473.350 4.590 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CCC(=O)NC(C)C)o1 ZINC001361250027 1066595582 /nfs/dbraw/zinc/59/55/82/1066595582.db2.gz OEZJHTFOVUIJTH-UHFFFAOYSA-N 0 0 494.821 4.814 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)no2)c1 ZINC001456483604 1066595693 /nfs/dbraw/zinc/59/56/93/1066595693.db2.gz ASHMQJSQTWVDKJ-UHFFFAOYSA-N 0 0 452.360 4.789 20 0 JJADRN Cn1ccnc1C[C@@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001445630478 1066595857 /nfs/dbraw/zinc/59/58/57/1066595857.db2.gz PYHWVDRTEUTWTI-AWEZNQCLSA-N 0 0 458.322 4.615 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC001445626520 1066595875 /nfs/dbraw/zinc/59/58/75/1066595875.db2.gz PMOSIGWTGYMXCJ-DLBZAZTESA-N 0 0 454.571 4.925 20 0 JJADRN COc1cc(CN2CC[C@@H](NC(=O)c3ccccc3SCc3ccco3)C2)cc(OC)c1 ZINC001445618854 1066595917 /nfs/dbraw/zinc/59/59/17/1066595917.db2.gz QMKWBJKJZPGJKQ-LJQANCHMSA-N 0 0 452.576 4.593 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2CCOC2)o1 ZINC001361250118 1066596177 /nfs/dbraw/zinc/59/61/77/1066596177.db2.gz RLHJFFPXGGUVPX-HNNXBMFYSA-N 0 0 463.351 4.811 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456486651 1066596162 /nfs/dbraw/zinc/59/61/62/1066596162.db2.gz DMKITNAMWUPGRW-KBJGYGKASA-N 0 0 451.473 4.916 20 0 JJADRN CCC(CC)c1cc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)on1 ZINC001361250718 1066597244 /nfs/dbraw/zinc/59/72/44/1066597244.db2.gz OBQHETWYNKHWGE-UHFFFAOYSA-N 0 0 457.372 4.945 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(O)c3)c2)cc1 ZINC001445638695 1066597233 /nfs/dbraw/zinc/59/72/33/1066597233.db2.gz VEGUMAZPOBJNHB-UHFFFAOYSA-N 0 0 452.576 4.808 20 0 JJADRN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001445642315 1066597307 /nfs/dbraw/zinc/59/73/07/1066597307.db2.gz ACKIKKACSAVOJU-UHFFFAOYSA-N 0 0 456.258 4.909 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC001456491633 1066597814 /nfs/dbraw/zinc/59/78/14/1066597814.db2.gz JJHMORHCFUWXGQ-UHFFFAOYSA-N 0 0 451.983 4.926 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001492598181 1066598222 /nfs/dbraw/zinc/59/82/22/1066598222.db2.gz KIVCUDFGSKPFSU-UPVQGACJSA-N 0 0 497.684 4.569 20 0 JJADRN Cn1cnc2cc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)ccc21 ZINC001361251150 1066598462 /nfs/dbraw/zinc/59/84/62/1066598462.db2.gz YGXJNQBNBGWBQO-MOPGFXCFSA-N 0 0 454.958 4.816 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2CC[C@H](C(F)F)N2CCOCC2)s1 ZINC001361251389 1066598734 /nfs/dbraw/zinc/59/87/34/1066598734.db2.gz QBQUBVQRYWXCRE-HXUWFJFHSA-N 0 0 496.027 4.961 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1C ZINC001456494137 1066598917 /nfs/dbraw/zinc/59/89/17/1066598917.db2.gz OGIMKQBSFSOHHU-UHFFFAOYSA-N 0 0 454.567 4.956 20 0 JJADRN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001456494384 1066599004 /nfs/dbraw/zinc/59/90/04/1066599004.db2.gz XPKIMWMVOXJTEC-KRWDZBQOSA-N 0 0 452.780 4.520 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC(F)(F)CO2)o1 ZINC001361251540 1066599514 /nfs/dbraw/zinc/59/95/14/1066599514.db2.gz WDJUSKPBCKGJQA-OAHLLOKOSA-N 0 0 485.304 4.809 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3OCC(F)(F)F)C2)c1 ZINC001456495509 1066599398 /nfs/dbraw/zinc/59/93/98/1066599398.db2.gz SHVZUTUTIAIKHS-MRXNPFEDSA-N 0 0 452.448 4.875 20 0 JJADRN Cc1cc(C)c2c(n1)sc(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c2-n1cccc1 ZINC001456495593 1066599467 /nfs/dbraw/zinc/59/94/67/1066599467.db2.gz SOHCEGIBEJMSLN-QGZVFWFLSA-N 0 0 454.596 4.833 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977842 1066599723 /nfs/dbraw/zinc/59/97/23/1066599723.db2.gz SASVETXIGPQMKY-TZIWHRDSSA-N 0 0 479.629 4.670 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1Br ZINC001456498049 1066600335 /nfs/dbraw/zinc/60/03/35/1066600335.db2.gz YODXNZCEGHGMHH-CQSZACIVSA-N 0 0 454.324 4.596 20 0 JJADRN COc1cc(I)c(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1OC ZINC001456497231 1066600356 /nfs/dbraw/zinc/60/03/56/1066600356.db2.gz CZTKQADXKFVCOT-QGZVFWFLSA-N 0 0 451.304 4.580 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(I)c(F)c1 ZINC001456497547 1066600364 /nfs/dbraw/zinc/60/03/64/1066600364.db2.gz WBPKMNPGTWGRIU-UHFFFAOYSA-N 0 0 457.136 4.763 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001445674805 1066600488 /nfs/dbraw/zinc/60/04/88/1066600488.db2.gz AQTCUYLARVRJTL-GOSISDBHSA-N 0 0 451.011 4.732 20 0 JJADRN CC(C)Oc1ccc([C@H](O)CNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc1 ZINC001445675554 1066600496 /nfs/dbraw/zinc/60/04/96/1066600496.db2.gz HRVWNLLMQKVNNC-JOCHJYFZSA-N 0 0 457.521 4.834 20 0 JJADRN CC(C)Oc1cccc([C@@H](O)CNC(=O)CCOc2ccc(Cl)cc2Br)c1 ZINC001445675939 1066600523 /nfs/dbraw/zinc/60/05/23/1066600523.db2.gz YKGKYCIWLZHLEM-SFHVURJKSA-N 0 0 456.764 4.508 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCc2nc(C(C)(C)C)cs2)s1 ZINC001361252891 1066600465 /nfs/dbraw/zinc/60/04/65/1066600465.db2.gz SOHOIUUFDLGPSM-UHFFFAOYSA-N 0 0 455.657 4.682 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N(C(=O)c2c(F)c(Br)ccc2I)C1 ZINC001456498526 1066600990 /nfs/dbraw/zinc/60/09/90/1066600990.db2.gz BITJLSDULWDPLP-NXEZZACHSA-N 0 0 454.121 4.844 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1C(F)(F)F ZINC001361253012 1066601130 /nfs/dbraw/zinc/60/11/30/1066601130.db2.gz NBGMOGLKQNDYIN-QWHCGFSZSA-N 0 0 455.274 4.698 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCCNC(=O)c3ccc(F)cc3)s2)cc1 ZINC001456499368 1066601637 /nfs/dbraw/zinc/60/16/37/1066601637.db2.gz KGBMKSCVQAIODK-HNNXBMFYSA-N 0 0 455.555 4.654 20 0 JJADRN CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1ccccc1F ZINC001545977922 1066601785 /nfs/dbraw/zinc/60/17/85/1066601785.db2.gz UPRGLIGHYUNMCJ-OALUTQOASA-N 0 0 468.577 4.516 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445686548 1066602946 /nfs/dbraw/zinc/60/29/46/1066602946.db2.gz KTZHOSRHMQYEMG-CJAUYULYSA-N 0 0 451.950 4.978 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)cc1 ZINC001456502543 1066603046 /nfs/dbraw/zinc/60/30/46/1066603046.db2.gz HAZSNQFIYYNCBH-FQEVSTJZSA-N 0 0 453.652 4.699 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H](O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC001445685425 1066603098 /nfs/dbraw/zinc/60/30/98/1066603098.db2.gz YYYOCMBOWCTOKQ-AEFFLSMTSA-N 0 0 457.329 4.548 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC001456502985 1066603744 /nfs/dbraw/zinc/60/37/44/1066603744.db2.gz APOLMTKOQITFSK-FQEVSTJZSA-N 0 0 457.434 4.619 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1cc(Br)cc(C)c1N ZINC001456503003 1066603753 /nfs/dbraw/zinc/60/37/53/1066603753.db2.gz AXHQHBHOSYEBNM-UHFFFAOYSA-N 0 0 458.219 4.797 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)[C@H](C)Sc3nc4ccccc4s3)C2)cc(OC)c1 ZINC001445687153 1066603894 /nfs/dbraw/zinc/60/38/94/1066603894.db2.gz JWBSZZSYPIPAPV-HOTGVXAUSA-N 0 0 457.621 4.897 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2cc(Br)ccc2F)o1 ZINC001361255953 1066604272 /nfs/dbraw/zinc/60/42/72/1066604272.db2.gz UOQXNWXEUXZUMR-QGZVFWFLSA-N 0 0 477.378 4.854 20 0 JJADRN Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456505887 1066604337 /nfs/dbraw/zinc/60/43/37/1066604337.db2.gz KJOFXNLEMMJNAG-UHFFFAOYSA-N 0 0 450.340 4.541 20 0 JJADRN CC[C@](O)(CCC(F)(F)F)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001456507225 1066604971 /nfs/dbraw/zinc/60/49/71/1066604971.db2.gz JEGLAIWDXXUYOS-NRFANRHFSA-N 0 0 451.514 4.873 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001456506268 1066604998 /nfs/dbraw/zinc/60/49/98/1066604998.db2.gz KUVIDWUJFBIUIJ-MEBBXXQBSA-N 0 0 477.350 4.648 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)C1 ZINC001361256804 1066604976 /nfs/dbraw/zinc/60/49/76/1066604976.db2.gz GETJGQYMOBTOIJ-HFZDXXHNSA-N 0 0 452.551 4.670 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)nn1-c1ccccc1Cl ZINC001456506672 1066605092 /nfs/dbraw/zinc/60/50/92/1066605092.db2.gz RCGJZEJONQTAIO-OAHLLOKOSA-N 0 0 459.775 4.605 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(NCc2ccccn2)c1 ZINC001445693572 1066605149 /nfs/dbraw/zinc/60/51/49/1066605149.db2.gz YIFMYPIKZFFULU-MHZLTWQESA-N 0 0 453.542 4.736 20 0 JJADRN C[C@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256952 1066605589 /nfs/dbraw/zinc/60/55/89/1066605589.db2.gz IWGFKJJBJJPEIK-KSEUIEODSA-N 0 0 450.941 4.948 20 0 JJADRN C[C@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256951 1066605641 /nfs/dbraw/zinc/60/56/41/1066605641.db2.gz IWGFKJJBJJPEIK-ANGAQGJPSA-N 0 0 450.941 4.948 20 0 JJADRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456509045 1066605677 /nfs/dbraw/zinc/60/56/77/1066605677.db2.gz SJDYHAMZYDESDG-UHFFFAOYSA-N 0 0 454.368 4.785 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CCCN2CCCCCC2=O)s1 ZINC001361257897 1066606287 /nfs/dbraw/zinc/60/62/87/1066606287.db2.gz LEWSMVXGDLWYKY-UHFFFAOYSA-N 0 0 465.667 4.976 20 0 JJADRN COc1ccccc1/C=C(/C(=O)NCC1(OCCO)CCC(C(F)F)CC1)c1ccccc1 ZINC001456509484 1066606391 /nfs/dbraw/zinc/60/63/91/1066606391.db2.gz AELHDMAPXIRVBE-OQKWZONESA-N 0 0 459.533 4.555 20 0 JJADRN CC(C)Oc1ccc([C@H](O)CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)cc1 ZINC001445699323 1066606406 /nfs/dbraw/zinc/60/64/06/1066606406.db2.gz AATKVYRMYWGJIL-GOSISDBHSA-N 0 0 451.748 4.834 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC(F)(F)F)c2)C1 ZINC001456511077 1066606935 /nfs/dbraw/zinc/60/69/35/1066606935.db2.gz YCOASMJZBNFVOJ-HZPDHXFCSA-N 0 0 454.514 4.710 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456511333 1066606952 /nfs/dbraw/zinc/60/69/52/1066606952.db2.gz GKRRWOMIRMAQHP-QRVBRYPASA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001456511150 1066607004 /nfs/dbraw/zinc/60/70/04/1066607004.db2.gz FVPJJVZWSBUALU-IEBWSBKVSA-N 0 0 453.421 4.890 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456511319 1066607150 /nfs/dbraw/zinc/60/71/50/1066607150.db2.gz GKRRWOMIRMAQHP-IPMKNSEASA-N 0 0 455.640 4.516 20 0 JJADRN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445704283 1066607099 /nfs/dbraw/zinc/60/70/99/1066607099.db2.gz BOCSNMXXIQUJQB-MRXNPFEDSA-N 0 0 453.892 4.729 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCOc2ccc(Cl)cn2)o1 ZINC001361258069 1066607087 /nfs/dbraw/zinc/60/70/87/1066607087.db2.gz NPGZCOGYIDIYDF-UHFFFAOYSA-N 0 0 473.911 4.812 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001456512876 1066607514 /nfs/dbraw/zinc/60/75/14/1066607514.db2.gz IPFCOQCLFBIZPC-UHFFFAOYSA-N 0 0 456.333 4.835 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001361258513 1066608392 /nfs/dbraw/zinc/60/83/92/1066608392.db2.gz WJCWPUZCHMCFHL-HXUWFJFHSA-N 0 0 496.681 4.917 20 0 JJADRN CC(C)Oc1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cn1 ZINC001456513812 1066608449 /nfs/dbraw/zinc/60/84/49/1066608449.db2.gz DNTWWYOAFMPDBH-UHFFFAOYSA-N 0 0 453.583 4.568 20 0 JJADRN CCOc1ccc(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1OCC ZINC001445708585 1066608474 /nfs/dbraw/zinc/60/84/74/1066608474.db2.gz GSYZVISQLNNPGI-HNNXBMFYSA-N 0 0 457.880 4.560 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)Cc2csc(C3CC3)n2)CC1 ZINC001456513518 1066608544 /nfs/dbraw/zinc/60/85/44/1066608544.db2.gz CIPLRJIMZPHKPC-UHFFFAOYSA-N 0 0 455.624 4.648 20 0 JJADRN CCOc1ccc2cc(C(=O)N[C@@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)[nH]c2c1 ZINC001445708572 1066608523 /nfs/dbraw/zinc/60/85/23/1066608523.db2.gz GMQWKXSMWIVGIO-CQSZACIVSA-N 0 0 452.864 4.643 20 0 JJADRN CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cc1 ZINC001445709251 1066608589 /nfs/dbraw/zinc/60/85/89/1066608589.db2.gz MTEZXRWLWQZEFB-QGZVFWFLSA-N 0 0 451.363 4.855 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC001361258727 1066609042 /nfs/dbraw/zinc/60/90/42/1066609042.db2.gz BVLVJWNDKKEFRY-OAHLLOKOSA-N 0 0 461.657 4.850 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)o1 ZINC001361258965 1066609119 /nfs/dbraw/zinc/60/91/19/1066609119.db2.gz LJWIQLOUXKQNRY-UHFFFAOYSA-N 0 0 450.587 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@@H](O)c3ccc4ccccc4c3)cc2C1 ZINC001445717453 1066609887 /nfs/dbraw/zinc/60/98/87/1066609887.db2.gz BKWPXLUSQOBEHX-HXUWFJFHSA-N 0 0 452.576 4.658 20 0 JJADRN Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC001445718770 1066610401 /nfs/dbraw/zinc/61/04/01/1066610401.db2.gz JLJODRJISZQZRS-UHFFFAOYSA-N 0 0 455.352 4.784 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCC(F)(F)F)o1 ZINC001361261000 1066610914 /nfs/dbraw/zinc/61/09/14/1066610914.db2.gz DFHXWWTVDOJDNJ-LJQANCHMSA-N 0 0 450.461 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CC[C@@H](OCc3ccccn3)C2)c2ccccc21 ZINC001445722650 1066611218 /nfs/dbraw/zinc/61/12/18/1066611218.db2.gz UFPNDUAYUGNLBL-TZIWHRDSSA-N 0 0 451.567 4.518 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC001456521344 1066611729 /nfs/dbraw/zinc/61/17/29/1066611729.db2.gz YVHVOUFUWCJLHK-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCC2)o1 ZINC001361261066 1066611685 /nfs/dbraw/zinc/61/16/85/1066611685.db2.gz GDEZWLXEYBELLO-FQEVSTJZSA-N 0 0 473.618 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445726734 1066611734 /nfs/dbraw/zinc/61/17/34/1066611734.db2.gz WHEXDBCVYCRGJQ-ZNEWLNCYSA-N 0 0 452.595 4.805 20 0 JJADRN Cc1cc(CCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)ccc1Br ZINC001456523516 1066612397 /nfs/dbraw/zinc/61/23/97/1066612397.db2.gz RIMGQDYGYZUZOQ-HKUYNNGSSA-N 0 0 453.421 4.890 20 0 JJADRN COc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2Cl)c1 ZINC001456523285 1066612446 /nfs/dbraw/zinc/61/24/46/1066612446.db2.gz QRAVVHRYYWIOEX-OSPHWJPCSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCN2CCOC2=O)o1 ZINC001361261167 1066612482 /nfs/dbraw/zinc/61/24/82/1066612482.db2.gz JPHCFJBQLVEWIH-UHFFFAOYSA-N 0 0 481.597 4.535 20 0 JJADRN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001445729348 1066612477 /nfs/dbraw/zinc/61/24/77/1066612477.db2.gz FEJTXNZVDNXMTP-OAQYLSRUSA-N 0 0 454.299 4.549 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC001445730304 1066612550 /nfs/dbraw/zinc/61/25/50/1066612550.db2.gz AOJFVJATLDAGOK-MRXNPFEDSA-N 0 0 453.464 4.830 20 0 JJADRN C[C@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC001445738377 1066612977 /nfs/dbraw/zinc/61/29/77/1066612977.db2.gz TZUBUTLODVIRMI-RXYZOABWSA-N 0 0 458.327 4.947 20 0 JJADRN COc1cccc([C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC001456526760 1066613574 /nfs/dbraw/zinc/61/35/74/1066613574.db2.gz WPNYQGBKIDQEAK-DEOSSOPVSA-N 0 0 454.929 4.904 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001445739626 1066613704 /nfs/dbraw/zinc/61/37/04/1066613704.db2.gz OAEYSHYLPUEVPZ-KNQAVFIVSA-N 0 0 453.311 4.920 20 0 JJADRN Cc1cc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)cc(C(=O)OC(C)(C)C)c1 ZINC001445747645 1066613742 /nfs/dbraw/zinc/61/37/42/1066613742.db2.gz NRGVIWKOIFDPAZ-MRXNPFEDSA-N 0 0 451.485 4.550 20 0 JJADRN Cc1cc(CCC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)ccc1Br ZINC001445743951 1066613826 /nfs/dbraw/zinc/61/38/26/1066613826.db2.gz MIVMHBPSHIBSTL-MRXNPFEDSA-N 0 0 458.318 4.676 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001456528809 1066614318 /nfs/dbraw/zinc/61/43/18/1066614318.db2.gz ZEYNJZQYCTWDMI-QHCPKHFHSA-N 0 0 457.979 4.888 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NC[C@H](O)COc1cccc(F)c1 ZINC001445754506 1066614460 /nfs/dbraw/zinc/61/44/60/1066614460.db2.gz MZXAKTLZXQXUQD-AWEZNQCLSA-N 0 0 455.338 4.734 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC001445754507 1066614629 /nfs/dbraw/zinc/61/46/29/1066614629.db2.gz MZXAKTLZXQXUQD-CQSZACIVSA-N 0 0 455.338 4.734 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(F)cc2OC2CCCC2)cc1 ZINC001445752120 1066614687 /nfs/dbraw/zinc/61/46/87/1066614687.db2.gz TVSOQPBVLJIPKP-UHFFFAOYSA-N 0 0 456.543 4.732 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3ccc4cncc(Br)c4n3)cn2)cc1 ZINC001456532203 1066614881 /nfs/dbraw/zinc/61/48/81/1066614881.db2.gz AFHFPKGEALUVLE-UHFFFAOYSA-N 0 0 451.280 4.841 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)CCn3ncn(C)c3=O)cc2F)cc1 ZINC001456532278 1066615030 /nfs/dbraw/zinc/61/50/30/1066615030.db2.gz ATRVAJSBJCGPRW-KRWDZBQOSA-N 0 0 456.587 4.605 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001545978743 1066615158 /nfs/dbraw/zinc/61/51/58/1066615158.db2.gz KEWSUVKJLWFAHH-UHFFFAOYSA-N 0 0 456.302 4.574 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(Br)cc2[nH]cnc21 ZINC001545978634 1066615207 /nfs/dbraw/zinc/61/52/07/1066615207.db2.gz HWONWDQHKMUSSW-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)OC(F)(F)O3)n1C ZINC001456532966 1066615421 /nfs/dbraw/zinc/61/54/21/1066615421.db2.gz CTWQAQVFDABMQK-UHFFFAOYSA-N 0 0 450.239 4.732 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)s1 ZINC001361262106 1066615498 /nfs/dbraw/zinc/61/54/98/1066615498.db2.gz RNUAWZLCUXWRBR-UHFFFAOYSA-N 0 0 493.633 4.658 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)C1 ZINC001445779524 1066615814 /nfs/dbraw/zinc/61/58/14/1066615814.db2.gz FUWSKBRUBMQMLC-JXFKEZNVSA-N 0 0 459.587 4.958 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3ccncc3)n2CCC(C)(C)O)s1 ZINC001361262294 1066616148 /nfs/dbraw/zinc/61/61/48/1066616148.db2.gz ZLKNCUUAPWXYKI-UHFFFAOYSA-N 0 0 451.596 4.595 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)c3ccccc3n2)cc1OC ZINC001456534933 1066616118 /nfs/dbraw/zinc/61/61/18/1066616118.db2.gz ZWZLYKBVKDBAOY-UHFFFAOYSA-N 0 0 459.477 4.718 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1C ZINC001456536129 1066616737 /nfs/dbraw/zinc/61/67/37/1066616737.db2.gz MEQGSQVUNNGAIX-UHFFFAOYSA-N 0 0 453.340 4.640 20 0 JJADRN CC(C)n1c(=O)[nH]c2ccc(C(=O)N3CCC[C@H]3COc3ccc(Br)cc3)cc21 ZINC001456536359 1066616775 /nfs/dbraw/zinc/61/67/75/1066616775.db2.gz YYPKDBQYHYJDOM-KRWDZBQOSA-N 0 0 458.356 4.769 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cn1 ZINC001361263519 1066616766 /nfs/dbraw/zinc/61/67/66/1066616766.db2.gz DDUUXTMZDPOTIB-HDICACEKSA-N 0 0 468.552 4.626 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001361264352 1066617335 /nfs/dbraw/zinc/61/73/35/1066617335.db2.gz HHUHRPWHYIFCJT-LJQANCHMSA-N 0 0 452.990 4.662 20 0 JJADRN CC(C)[C@@H](C(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001456537613 1066617362 /nfs/dbraw/zinc/61/73/62/1066617362.db2.gz UPGMAUVQZAXNBP-CRAIPNDOSA-N 0 0 453.421 4.782 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)CCc2cc(Br)c(Br)s2)C12CCC2 ZINC001456537364 1066617449 /nfs/dbraw/zinc/61/74/49/1066617449.db2.gz WATOBIOEOQBWEX-STQMWFEESA-N 0 0 451.224 4.670 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC001361265693 1066618015 /nfs/dbraw/zinc/61/80/15/1066618015.db2.gz QGKWCTPKXUSURB-UHFFFAOYSA-N 0 0 456.365 4.884 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001445792185 1066618018 /nfs/dbraw/zinc/61/80/18/1066618018.db2.gz CJWFQYHISUGLDN-ZSEKCTLFSA-N 0 0 456.905 4.917 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CCO1 ZINC001546083185 1066618631 /nfs/dbraw/zinc/61/86/31/1066618631.db2.gz JUDBCBOBMMKHGQ-HJPURHCSSA-N 0 0 459.591 4.684 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)n1C ZINC001456538627 1066618640 /nfs/dbraw/zinc/61/86/40/1066618640.db2.gz YKXPMWBHJKWNHA-LLVKDONJSA-N 0 0 450.283 4.842 20 0 JJADRN COc1cccc(C(NC(=O)C[C@H](C)n2cc(Br)cn2)c2cccc(OC)c2)c1 ZINC001361266157 1066618655 /nfs/dbraw/zinc/61/86/55/1066618655.db2.gz ONVCBJNGKDHCGK-HNNXBMFYSA-N 0 0 458.356 4.520 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 ZINC001361266625 1066618694 /nfs/dbraw/zinc/61/86/94/1066618694.db2.gz BWWOLJNZMLKMOD-GOSISDBHSA-N 0 0 485.629 4.716 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)CC2 ZINC001445794282 1066618615 /nfs/dbraw/zinc/61/86/15/1066618615.db2.gz IHFPZIFFZPINFV-PDGQHHTCSA-N 0 0 453.432 4.669 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 ZINC001456539127 1066619255 /nfs/dbraw/zinc/61/92/55/1066619255.db2.gz LHMGMFJFVJVZNR-UHFFFAOYSA-N 0 0 457.452 4.635 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](C)CC2)c(=O)n1C ZINC001361267246 1066619286 /nfs/dbraw/zinc/61/92/86/1066619286.db2.gz KURSOHGMINMTHQ-MJGOQNOKSA-N 0 0 470.017 4.753 20 0 JJADRN Cc1cc(C(=O)N(C)Cc2nccn2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001361267089 1066619310 /nfs/dbraw/zinc/61/93/10/1066619310.db2.gz DMFASSOTQVBMIO-UHFFFAOYSA-N 0 0 453.468 4.717 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(=O)NC(C)(C)C)s1 ZINC001361267023 1066619394 /nfs/dbraw/zinc/61/93/94/1066619394.db2.gz JHFIYQGTXZYJHS-INIZCTEOSA-N 0 0 476.046 4.841 20 0 JJADRN C[C@@H]1Cc2cc(NC(=O)c3ccccc3N(C)C(=O)c3ccc(Br)o3)ccc2O1 ZINC001456540274 1066619438 /nfs/dbraw/zinc/61/94/38/1066619438.db2.gz PELWEGHLEYAATA-CYBMUJFWSA-N 0 0 455.308 4.894 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CCc2cnccn2)s1 ZINC001361267663 1066619817 /nfs/dbraw/zinc/61/98/17/1066619817.db2.gz AYHHQLYBKRKMCU-UHFFFAOYSA-N 0 0 469.412 4.595 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001361267673 1066619881 /nfs/dbraw/zinc/61/98/81/1066619881.db2.gz BAIIQHIFBZZRIW-ZDUSSCGKSA-N 0 0 470.387 4.946 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)COc1ccccc1Br ZINC001456541394 1066619813 /nfs/dbraw/zinc/61/98/13/1066619813.db2.gz GGLRXZNBEZAMKI-UHFFFAOYSA-N 0 0 456.178 4.823 20 0 JJADRN COc1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)ccc1OCc1cscn1 ZINC001456541011 1066619841 /nfs/dbraw/zinc/61/98/41/1066619841.db2.gz AZSGSMHKQORCKM-UHFFFAOYSA-N 0 0 454.548 4.788 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC001445797792 1066619833 /nfs/dbraw/zinc/61/98/33/1066619833.db2.gz IGUUZNSBWMODME-BBATYDOGSA-N 0 0 456.739 4.520 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@@H](O)c1c(F)cccc1Cl ZINC001445799923 1066619944 /nfs/dbraw/zinc/61/99/44/1066619944.db2.gz KSVVRYNYLBLOGB-WHEQGISXSA-N 0 0 457.958 4.870 20 0 JJADRN COc1cccc([C@H](O)CNC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)c1 ZINC001445800317 1066620598 /nfs/dbraw/zinc/62/05/98/1066620598.db2.gz NFLGTMLKKWVDPL-HXUWFJFHSA-N 0 0 455.352 4.655 20 0 JJADRN CCc1c(C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)nnn1-c1cccc(Cl)c1 ZINC001445804164 1066620784 /nfs/dbraw/zinc/62/07/84/1066620784.db2.gz OMNJOFABJGIXBI-WYRIXSBYSA-N 0 0 453.757 4.642 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccco2)c(F)c1 ZINC001361268502 1066621258 /nfs/dbraw/zinc/62/12/58/1066621258.db2.gz LYXSBSLJVVRCMH-UHFFFAOYSA-N 0 0 458.335 4.771 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)CCC2=O)cc1C ZINC001456544222 1066621263 /nfs/dbraw/zinc/62/12/63/1066621263.db2.gz RFWYBOHAKCGRDW-NRFANRHFSA-N 0 0 452.982 4.821 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)(F)F)s1 ZINC001361268305 1066621400 /nfs/dbraw/zinc/62/14/00/1066621400.db2.gz JLSFCUZCJXGOMM-UHFFFAOYSA-N 0 0 462.339 4.853 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C)n2Cc2ccc(C)cc2OCC(F)(F)F)cs1 ZINC001361268807 1066621739 /nfs/dbraw/zinc/62/17/39/1066621739.db2.gz QPWVIPIOHWDFSJ-GOSISDBHSA-N 0 0 451.518 4.991 20 0 JJADRN COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1=O ZINC001456547142 1066621978 /nfs/dbraw/zinc/62/19/78/1066621978.db2.gz FQEUYONYWUJSPD-GOSISDBHSA-N 0 0 450.922 4.919 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001445815132 1066622662 /nfs/dbraw/zinc/62/26/62/1066622662.db2.gz GLSGGHPCENTUQO-GOEBONIOSA-N 0 0 459.400 4.967 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C2OCCO2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001456553304 1066623072 /nfs/dbraw/zinc/62/30/72/1066623072.db2.gz RYUINHNRUHXTGK-GOSISDBHSA-N 0 0 450.322 4.615 20 0 JJADRN COC(=O)c1cnc([C@H]2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(C)C)C2)s1 ZINC001456551236 1066623123 /nfs/dbraw/zinc/62/31/23/1066623123.db2.gz OYDIZTKTEFZKAD-AWEZNQCLSA-N 0 0 458.971 4.522 20 0 JJADRN O=C(CCc1cccc(OC2CCCC2)c1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC001445820068 1066623689 /nfs/dbraw/zinc/62/36/89/1066623689.db2.gz JVXFGRADWSHWPL-QGZVFWFLSA-N 0 0 452.378 4.804 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C2(Cc3cccc(OC)c3)CCCCC2)CC1 ZINC001456554112 1066623911 /nfs/dbraw/zinc/62/39/11/1066623911.db2.gz AHXBPQPDIJFNHV-UHFFFAOYSA-N 0 0 455.517 4.922 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001445822223 1066623931 /nfs/dbraw/zinc/62/39/31/1066623931.db2.gz MXXZIJFIZIAEDQ-MOPGFXCFSA-N 0 0 455.640 4.613 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001361270857 1066624169 /nfs/dbraw/zinc/62/41/69/1066624169.db2.gz OMIYTINRZPONHS-YFNKSVMNSA-N 0 0 450.579 4.837 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001445829870 1066624401 /nfs/dbraw/zinc/62/44/01/1066624401.db2.gz UPILHUPKKCPCRU-MRXNPFEDSA-N 0 0 454.493 4.704 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1cc(F)ccc1F ZINC001456560563 1066625050 /nfs/dbraw/zinc/62/50/50/1066625050.db2.gz BNRHRZDBSBTSRL-MWTRTKDXSA-N 0 0 458.530 4.885 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1cc(F)ccc1F ZINC001456560559 1066625061 /nfs/dbraw/zinc/62/50/61/1066625061.db2.gz BNRHRZDBSBTSRL-HJPURHCSSA-N 0 0 458.530 4.885 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361271956 1066625514 /nfs/dbraw/zinc/62/55/14/1066625514.db2.gz BPZONVZMEZGSOP-FQEVSTJZSA-N 0 0 455.558 4.656 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)CCc1ccc3ccccc3c1)CC2 ZINC001456563750 1066625453 /nfs/dbraw/zinc/62/54/53/1066625453.db2.gz SAELBEHSHLQPIA-HSZRJFAPSA-N 0 0 452.595 4.695 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)[C@H](O)Cc1ccccc1 ZINC001545979173 1066625743 /nfs/dbraw/zinc/62/57/43/1066625743.db2.gz VSSVXQNZJDXZRS-IVZQSRNASA-N 0 0 457.357 4.968 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N3CCC[C@@]3(C)Cc3ccc(Cl)s3)cn2)cc1OC ZINC001456562153 1066625696 /nfs/dbraw/zinc/62/56/96/1066625696.db2.gz DHBDFAQRKZSCRA-QHCPKHFHSA-N 0 0 459.999 4.901 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)CC2COC(C)(C)OC2)cn1 ZINC001361272219 1066626245 /nfs/dbraw/zinc/62/62/45/1066626245.db2.gz KQZYSIAKLYVXMV-UHFFFAOYSA-N 0 0 493.652 4.957 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456564346 1066626351 /nfs/dbraw/zinc/62/63/51/1066626351.db2.gz HKJRHIOOIKKATJ-GAJHUEQPSA-N 0 0 457.979 4.820 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1OCc1ccccc1 ZINC001445852227 1066626519 /nfs/dbraw/zinc/62/65/19/1066626519.db2.gz AHZHNLYFBNXFML-UZUQRXQVSA-N 0 0 453.560 4.947 20 0 JJADRN CC(C)CCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC001445857256 1066626972 /nfs/dbraw/zinc/62/69/72/1066626972.db2.gz ARCAKNVPKNBBSF-LJQANCHMSA-N 0 0 454.398 4.873 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccnc(-c2ccccc2)c1N ZINC001445856699 1066626985 /nfs/dbraw/zinc/62/69/85/1066626985.db2.gz AOMYVZCJPSEGMW-LJQANCHMSA-N 0 0 458.345 4.542 20 0 JJADRN C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001456566122 1066627132 /nfs/dbraw/zinc/62/71/32/1066627132.db2.gz FOKFEYUUEBLISC-HSZRJFAPSA-N 0 0 458.580 4.925 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccc(Cl)cc2)cn1 ZINC001361272648 1066627582 /nfs/dbraw/zinc/62/75/82/1066627582.db2.gz ONFRXGDYVDOGDJ-UHFFFAOYSA-N 0 0 469.376 4.914 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC001456568127 1066627790 /nfs/dbraw/zinc/62/77/90/1066627790.db2.gz OXOOTNVJQRZCTK-HXOBKFHXSA-N 0 0 450.023 4.675 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC001456568131 1066627883 /nfs/dbraw/zinc/62/78/83/1066627883.db2.gz OXOOTNVJQRZCTK-SBUREZEXSA-N 0 0 450.023 4.675 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546083375 1066627902 /nfs/dbraw/zinc/62/79/02/1066627902.db2.gz MOMOKVBVLATHKK-APWZRJJASA-N 0 0 491.352 4.680 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC001456568123 1066627909 /nfs/dbraw/zinc/62/79/09/1066627909.db2.gz OXOOTNVJQRZCTK-GAJHUEQPSA-N 0 0 450.023 4.675 20 0 JJADRN C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001445860599 1066627903 /nfs/dbraw/zinc/62/79/03/1066627903.db2.gz BTYOEOWMBYTRBE-CYFREDJKSA-N 0 0 454.530 4.698 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC2CC(F)C2)cn1 ZINC001361273167 1066628086 /nfs/dbraw/zinc/62/80/86/1066628086.db2.gz OUSDYYFDRWRQNY-UHFFFAOYSA-N 0 0 450.381 4.705 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2ccc(C)cc2)o1 ZINC001361272935 1066628133 /nfs/dbraw/zinc/62/81/33/1066628133.db2.gz MDZNISLZKPIFQU-SFHVURJKSA-N 0 0 451.571 4.649 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001445867037 1066628369 /nfs/dbraw/zinc/62/83/69/1066628369.db2.gz MPLPURNPWCSDNA-BFMBIBTESA-N 0 0 458.961 4.551 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cc2cc(Br)ccc2[nH]1 ZINC001445864701 1066628530 /nfs/dbraw/zinc/62/85/30/1066628530.db2.gz JLOKSYMQZKUBFM-ZDUSSCGKSA-N 0 0 455.274 4.530 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)sc1C=O ZINC001456569550 1066628437 /nfs/dbraw/zinc/62/84/37/1066628437.db2.gz VVCHMPCKNDJHKT-LJQANCHMSA-N 0 0 453.345 4.711 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1oc2ccccc2c1Br ZINC001445870502 1066629066 /nfs/dbraw/zinc/62/90/66/1066629066.db2.gz QRUUIMWIYNTCRB-CYBMUJFWSA-N 0 0 456.258 4.795 20 0 JJADRN COc1ccc(-c2cncc(C(=O)NC[C@H](CO)Cc3ccc(C(F)(F)F)cc3)c2)c(C)c1 ZINC001445868399 1066629181 /nfs/dbraw/zinc/62/91/81/1066629181.db2.gz MADNHUYNIHVSNK-GOSISDBHSA-N 0 0 458.480 4.665 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 ZINC001361273319 1066629383 /nfs/dbraw/zinc/62/93/83/1066629383.db2.gz XYWUMSGYKPDMID-GFCCVEGCSA-N 0 0 473.451 4.539 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)s2)cc(S(=O)(=O)N(C)C)c1C ZINC001456573473 1066629568 /nfs/dbraw/zinc/62/95/68/1066629568.db2.gz ZTZXLCRELCNMBI-OAQYLSRUSA-N 0 0 455.045 4.506 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3-c3nc(C)c[nH]3)cc2)cc1 ZINC001445877155 1066629747 /nfs/dbraw/zinc/62/97/47/1066629747.db2.gz HWHMSTGPADIGIJ-UHFFFAOYSA-N 0 0 454.530 4.505 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001456578733 1066630239 /nfs/dbraw/zinc/63/02/39/1066630239.db2.gz QZTARNLASJWNHG-GOTSBHOMSA-N 0 0 458.624 4.568 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCS[C@@H](C)[C@@H]2C)cn1 ZINC001361273517 1066630244 /nfs/dbraw/zinc/63/02/44/1066630244.db2.gz SOGSXKVUQSXZJG-GJZGRUSLSA-N 0 0 476.419 4.929 20 0 JJADRN O=C(Nc1cccc(CSC2CCCC2)c1)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001456579291 1066630369 /nfs/dbraw/zinc/63/03/69/1066630369.db2.gz BCPKTJRKBYMAOB-HSZRJFAPSA-N 0 0 454.592 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N(Cc3ccccc3)CC3(O)CCCC3)c2C1 ZINC001445884193 1066630446 /nfs/dbraw/zinc/63/04/46/1066630446.db2.gz GKTRJQHYKBKTGN-UHFFFAOYSA-N 0 0 450.579 4.885 20 0 JJADRN Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001361274153 1066630760 /nfs/dbraw/zinc/63/07/60/1066630760.db2.gz FDUORTFKTHNUCY-GJZGRUSLSA-N 0 0 452.521 4.894 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccc(F)cc1F ZINC001456580646 1066630955 /nfs/dbraw/zinc/63/09/55/1066630955.db2.gz AVSVWBCDPJHCKB-JOCHJYFZSA-N 0 0 450.551 4.799 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)C1 ZINC001456581140 1066630969 /nfs/dbraw/zinc/63/09/69/1066630969.db2.gz CCTGKJAYQGSGBU-HHHXNRCGSA-N 0 0 450.579 4.694 20 0 JJADRN O=C(Nc1ccc(Br)c(I)c1)c1cncc2ccccc21 ZINC001361274700 1066631585 /nfs/dbraw/zinc/63/15/85/1066631585.db2.gz MMZOAUSNLQFMLS-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)c(I)c2)cc1 ZINC001361274850 1066631603 /nfs/dbraw/zinc/63/16/03/1066631603.db2.gz NTQAHSZGXQYTCV-UONOGXRCSA-N 0 0 472.120 4.805 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001456581025 1066631639 /nfs/dbraw/zinc/63/16/39/1066631639.db2.gz CTAXVTXHQXFJIQ-LBPRGKRZSA-N 0 0 455.864 4.765 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cnc2Cl)ccn1 ZINC001361275326 1066632208 /nfs/dbraw/zinc/63/22/08/1066632208.db2.gz IGQCGFRUBWBFLR-UHFFFAOYSA-N 0 0 450.804 4.553 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)C1 ZINC001456583068 1066632243 /nfs/dbraw/zinc/63/22/43/1066632243.db2.gz GPUMDCFVFZWDBV-RUZDIDTESA-N 0 0 459.537 4.613 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1 ZINC001456583287 1066632369 /nfs/dbraw/zinc/63/23/69/1066632369.db2.gz DQNIXGRTJIWEIA-UHFFFAOYSA-N 0 0 451.304 4.718 20 0 JJADRN Nc1ncncc1CNC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC001445901279 1066632464 /nfs/dbraw/zinc/63/24/64/1066632464.db2.gz NYZNNAPRRWIBIX-UHFFFAOYSA-N 0 0 454.599 4.790 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC[C@H](Nc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001445902618 1066632515 /nfs/dbraw/zinc/63/25/15/1066632515.db2.gz QDKZYXYUECILHA-MZLICYQSSA-N 0 0 457.977 4.880 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361275774 1066632807 /nfs/dbraw/zinc/63/28/07/1066632807.db2.gz WVIQNACRUCBXFH-HXUWFJFHSA-N 0 0 489.542 4.889 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)[C@H]3[C@H]4C[C@H]4CN3C(=O)OC(C)(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361275445 1066632825 /nfs/dbraw/zinc/63/28/25/1066632825.db2.gz WCDPFDBXZGVELA-KCEQMILTSA-N 0 0 483.531 4.513 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)c1 ZINC001361275750 1066632843 /nfs/dbraw/zinc/63/28/43/1066632843.db2.gz ZQRXKNRTKBRVSQ-ACCUITESSA-N 0 0 456.848 4.657 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@@H](OCC2CCCC2)c2ccccc2)cc1 ZINC001456585885 1066632933 /nfs/dbraw/zinc/63/29/33/1066632933.db2.gz HAAXNCCTAVQIGX-SANMLTNESA-N 0 0 457.574 4.923 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C1 ZINC001456585474 1066633042 /nfs/dbraw/zinc/63/30/42/1066633042.db2.gz CCLQLCLJSKBVGW-AREMUKBSSA-N 0 0 455.599 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC001445905784 1066633012 /nfs/dbraw/zinc/63/30/12/1066633012.db2.gz FWYLBLUDUSZOHD-IBGZPJMESA-N 0 0 459.974 4.917 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCC[C@H](Nc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001445904941 1066633025 /nfs/dbraw/zinc/63/30/25/1066633025.db2.gz UPMPVIURIKBBGT-AEFFLSMTSA-N 0 0 456.637 4.739 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001445908714 1066633710 /nfs/dbraw/zinc/63/37/10/1066633710.db2.gz HUUKIJRLGYTBGX-UHFFFAOYSA-N 0 0 452.857 4.776 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccsc2)c(OCC(F)(F)F)c1 ZINC001361276972 1066634019 /nfs/dbraw/zinc/63/40/19/1066634019.db2.gz NVRZNNBNJZPECK-UHFFFAOYSA-N 0 0 476.528 4.674 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361277262 1066634936 /nfs/dbraw/zinc/63/49/36/1066634936.db2.gz SVZHTZAIOBHNFY-FQEVSTJZSA-N 0 0 477.531 4.822 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545979711 1066635024 /nfs/dbraw/zinc/63/50/24/1066635024.db2.gz HFCHTZWUEJGLGW-FYYLOGMGSA-N 0 0 492.624 4.530 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)NCCCF)cs1 ZINC001445918106 1066635044 /nfs/dbraw/zinc/63/50/44/1066635044.db2.gz HZVUSXJJCQEEMT-OAHLLOKOSA-N 0 0 453.539 4.832 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)OC(C)(C)C2)c(OCC(F)(F)F)c1 ZINC001361278038 1066635443 /nfs/dbraw/zinc/63/54/43/1066635443.db2.gz LRSVVRANQVMRNV-GOSISDBHSA-N 0 0 489.542 4.950 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cccc(SC(F)(F)F)c1 ZINC001445922511 1066635560 /nfs/dbraw/zinc/63/55/60/1066635560.db2.gz QFFXAVKDOBIYBE-ZDUSSCGKSA-N 0 0 453.404 4.778 20 0 JJADRN O=C(CCc1ccc(F)c2c1CCCC2)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445924526 1066635580 /nfs/dbraw/zinc/63/55/80/1066635580.db2.gz UTSROVHVBRWLMO-QGZVFWFLSA-N 0 0 453.476 4.503 20 0 JJADRN O=C(Cc1nc(C2CCCCC2)cs1)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445924398 1066635616 /nfs/dbraw/zinc/63/56/16/1066635616.db2.gz UHWSJAPRWIJMCP-MRXNPFEDSA-N 0 0 456.530 4.599 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC1CC1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001456592199 1066635629 /nfs/dbraw/zinc/63/56/29/1066635629.db2.gz RARHYDKJDKZURF-NRFANRHFSA-N 0 0 453.341 4.933 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)C1 ZINC001456593820 1066636746 /nfs/dbraw/zinc/63/67/46/1066636746.db2.gz NUGLBPFAMHFOCZ-SANMLTNESA-N 0 0 455.574 4.864 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC001361280139 1066637480 /nfs/dbraw/zinc/63/74/80/1066637480.db2.gz XDTUFTHBBNERTL-ATIYNZHBSA-N 0 0 456.586 4.670 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)[C@H]2C[C@H]21 ZINC001445936723 1066637509 /nfs/dbraw/zinc/63/75/09/1066637509.db2.gz YFJZSMHUBUSNEE-HLNWXESRSA-N 0 0 452.517 4.961 20 0 JJADRN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COc1ccc2c(c1)CCC2 ZINC001456600121 1066638015 /nfs/dbraw/zinc/63/80/15/1066638015.db2.gz RFUFRUZTKIZREM-ZEQRLZLVSA-N 0 0 450.579 4.592 20 0 JJADRN O=C(NCCc1ccc(O)cc1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001445944929 1066638790 /nfs/dbraw/zinc/63/87/90/1066638790.db2.gz INXRPNHJBXEDKR-UHFFFAOYSA-N 0 0 458.465 4.693 20 0 JJADRN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001445945266 1066638910 /nfs/dbraw/zinc/63/89/10/1066638910.db2.gz UEUZTIPPQYYSME-YBEGLDIGSA-N 0 0 453.367 4.771 20 0 JJADRN CCc1c(C(=O)N2CCc3c(F)cc(Br)cc3C2)cnn1-c1ccc(OC)cc1 ZINC001445946422 1066638933 /nfs/dbraw/zinc/63/89/33/1066638933.db2.gz DBWFHDMBOMRFGG-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN CC[C@H](CNC(=O)C1CCC(OC[C@H]2CCCO2)CC1)Cc1cccc(Br)c1 ZINC001456603576 1066639401 /nfs/dbraw/zinc/63/94/01/1066639401.db2.gz MYEMKLSWMUCXCZ-OVFPNMQZSA-N 0 0 452.433 4.888 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)C2)c(F)c1 ZINC001361282217 1066640144 /nfs/dbraw/zinc/64/01/44/1066640144.db2.gz PQEMCXWOTUKFMR-QUCCMNQESA-N 0 0 489.661 4.830 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001361282149 1066640151 /nfs/dbraw/zinc/64/01/51/1066640151.db2.gz JOWBCKCTBNDLNE-UHFFFAOYSA-N 0 0 456.346 4.785 20 0 JJADRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001456603844 1066640096 /nfs/dbraw/zinc/64/00/96/1066640096.db2.gz KOXDCSONBKFTAJ-KRWDZBQOSA-N 0 0 451.544 4.777 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC001456604455 1066640119 /nfs/dbraw/zinc/64/01/19/1066640119.db2.gz XJPWSSQILIVGDY-JOCHJYFZSA-N 0 0 454.405 4.969 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001445955405 1066640168 /nfs/dbraw/zinc/64/01/68/1066640168.db2.gz XNXWMJNRQBQWSV-CQSZACIVSA-N 0 0 455.908 4.813 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 ZINC001456606106 1066640838 /nfs/dbraw/zinc/64/08/38/1066640838.db2.gz LWVNGSKQZVEELQ-HOTGVXAUSA-N 0 0 458.942 4.547 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2C[C@H](C)C[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361282780 1066640842 /nfs/dbraw/zinc/64/08/42/1066640842.db2.gz WXMHFPJHKQMQDW-NSHGMRRFSA-N 0 0 466.548 4.952 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361282980 1066640974 /nfs/dbraw/zinc/64/09/74/1066640974.db2.gz XWYGKTMXUWJRMU-QHCPKHFHSA-N 0 0 483.657 4.530 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)C[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361282781 1066641000 /nfs/dbraw/zinc/64/10/00/1066641000.db2.gz WXMHFPJHKQMQDW-QWFCFKBJSA-N 0 0 466.548 4.952 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)CCOc2cc(Cl)ccc2Cl)cc1 ZINC001456605156 1066640966 /nfs/dbraw/zinc/64/09/66/1066640966.db2.gz XJYOXEKSOIFGQC-UHFFFAOYSA-N 0 0 458.345 4.750 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545980120 1066641147 /nfs/dbraw/zinc/64/11/47/1066641147.db2.gz OYGYUMAZUMZJIY-REWPJTCUSA-N 0 0 467.589 4.897 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545980119 1066641153 /nfs/dbraw/zinc/64/11/53/1066641153.db2.gz OYGYUMAZUMZJIY-OFNKIYASSA-N 0 0 467.589 4.897 20 0 JJADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)C)C2)c(F)c1 ZINC001361284161 1066642362 /nfs/dbraw/zinc/64/23/62/1066642362.db2.gz ANGHYEIQDRHBRF-DENIHFKCSA-N 0 0 487.620 4.565 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COC[C@@H](C)c1ccccc1 ZINC001456610196 1066642348 /nfs/dbraw/zinc/64/23/48/1066642348.db2.gz RBFCBPSSKMNNNZ-SDUSCBPUSA-N 0 0 452.595 4.845 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445989897 1066642530 /nfs/dbraw/zinc/64/25/30/1066642530.db2.gz IRVWBXLDXMEOSK-GOSISDBHSA-N 0 0 453.421 4.924 20 0 JJADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001445995248 1066642609 /nfs/dbraw/zinc/64/26/09/1066642609.db2.gz AWCVOFAQAIKCBZ-INIZCTEOSA-N 0 0 458.967 4.550 20 0 JJADRN COc1ccc(C[C@H](NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)c2ccccc2)cc1OC ZINC001361284734 1066643019 /nfs/dbraw/zinc/64/30/19/1066643019.db2.gz YWQSOSAQXVLILE-CNNODRBYSA-N 0 0 451.485 4.994 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445998075 1066643183 /nfs/dbraw/zinc/64/31/83/1066643183.db2.gz OFYIBQZCRLIGDY-UHFFFAOYSA-N 0 0 452.507 4.920 20 0 JJADRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC(c2ccc(F)cc2)C1 ZINC001446000047 1066643203 /nfs/dbraw/zinc/64/32/03/1066643203.db2.gz TYYONZXPVLKCIZ-UHFFFAOYSA-N 0 0 456.514 4.576 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)ccc2C)cc1 ZINC001445998842 1066643249 /nfs/dbraw/zinc/64/32/49/1066643249.db2.gz IDAVDUBTOBUWCM-LJQANCHMSA-N 0 0 452.576 4.513 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001445998686 1066643277 /nfs/dbraw/zinc/64/32/77/1066643277.db2.gz HIEPKGKJKQOYKU-JOCHJYFZSA-N 0 0 459.443 4.587 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001456613584 1066643623 /nfs/dbraw/zinc/64/36/23/1066643623.db2.gz FQTCOAVAZWJFCB-JLHYYAGUSA-N 0 0 458.477 4.963 20 0 JJADRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456612694 1066643804 /nfs/dbraw/zinc/64/38/04/1066643804.db2.gz BMKNGFKJNWQPEF-OAHLLOKOSA-N 0 0 450.576 4.606 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N[C@H]3CCOC4(CCC4)C3)ccc2C)c(C)c1 ZINC001446001451 1066643966 /nfs/dbraw/zinc/64/39/66/1066643966.db2.gz PACNXQUORQHZGL-NRFANRHFSA-N 0 0 456.608 4.553 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)NC3CCCCC3)CC2)c(F)c1 ZINC001361285476 1066644285 /nfs/dbraw/zinc/64/42/85/1066644285.db2.gz ADRUKYAQZIECIZ-UHFFFAOYSA-N 0 0 470.637 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)C(C)(C)C3CCC(O)CC3)CC2)CC1 ZINC001456615707 1066644946 /nfs/dbraw/zinc/64/49/46/1066644946.db2.gz DPLYZIBJLKTHGK-JSRJAPPDSA-N 0 0 450.664 4.840 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N(C[C@@H]2CCOC2)C2CC2)c(OCC(F)(F)F)c1 ZINC001361286560 1066644891 /nfs/dbraw/zinc/64/48/91/1066644891.db2.gz UCTATWSXQNUMIM-SFHVURJKSA-N 0 0 466.548 4.780 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)ccn1Cc1ccccc1 ZINC001456617095 1066645679 /nfs/dbraw/zinc/64/56/79/1066645679.db2.gz NHUOYDRWTTZLIK-DEOSSOPVSA-N 0 0 453.380 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC[C@@H]3CCCc3ccccc3)=NO2)CC1 ZINC001446014299 1066645824 /nfs/dbraw/zinc/64/58/24/1066645824.db2.gz OXGLSJMPASLSKT-NRFANRHFSA-N 0 0 455.599 4.546 20 0 JJADRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC001456618310 1066646200 /nfs/dbraw/zinc/64/62/00/1066646200.db2.gz UVXKVLIIEWKOQP-OAHLLOKOSA-N 0 0 450.398 4.856 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001361287907 1066646412 /nfs/dbraw/zinc/64/64/12/1066646412.db2.gz FXBJRPCNKRGRHE-GOSISDBHSA-N 0 0 452.904 4.845 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001456619053 1066646974 /nfs/dbraw/zinc/64/69/74/1066646974.db2.gz XTPRMZKZFZHMED-HNNXBMFYSA-N 0 0 450.576 4.606 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000100445191 1066646978 /nfs/dbraw/zinc/64/69/78/1066646978.db2.gz NNUBXNABOXJGTD-UHFFFAOYSA-N 0 0 459.365 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3c[nH]c4cc(=O)ccc-4c3)CC2)CC1 ZINC001456619970 1066647100 /nfs/dbraw/zinc/64/71/00/1066647100.db2.gz NTJYTOHIMODERW-SFHVURJKSA-N 0 0 453.583 4.830 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2C[C@H](C)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492598448 1066647173 /nfs/dbraw/zinc/64/71/73/1066647173.db2.gz NGCZLPRTDVTMJN-QDQHVZQESA-N 0 0 456.631 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC001456619479 1066647178 /nfs/dbraw/zinc/64/71/78/1066647178.db2.gz LXKNTVAXVZAQFT-FQEVSTJZSA-N 0 0 452.599 4.762 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001446023944 1066647290 /nfs/dbraw/zinc/64/72/90/1066647290.db2.gz QPEYRRJWCQPVQG-NSNCMOJPSA-N 0 0 452.620 4.959 20 0 JJADRN COc1cc(CNC(=O)c2cccc(I)c2)ccc1OCCC(C)C ZINC000100449395 1066647241 /nfs/dbraw/zinc/64/72/41/1066647241.db2.gz UEPIDZFXVCZEPP-UHFFFAOYSA-N 0 0 453.320 4.655 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001446030326 1066647730 /nfs/dbraw/zinc/64/77/30/1066647730.db2.gz GCQRQRIKARCIHS-CLJLJLNGSA-N 0 0 459.590 4.815 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C ZINC001492598548 1066647835 /nfs/dbraw/zinc/64/78/35/1066647835.db2.gz NXUKJLNHIZIOCK-SFHVURJKSA-N 0 0 455.628 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)CC1 ZINC001456621232 1066647770 /nfs/dbraw/zinc/64/77/70/1066647770.db2.gz RPXCKSZUGDGSLX-FQEVSTJZSA-N 0 0 456.631 4.793 20 0 JJADRN O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001446030168 1066647842 /nfs/dbraw/zinc/64/78/42/1066647842.db2.gz FUZYNHLSCDCDKL-DVECYGJZSA-N 0 0 450.485 4.623 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001446029369 1066647869 /nfs/dbraw/zinc/64/78/69/1066647869.db2.gz DGBMTOKCASRMSY-VXKWHMMOSA-N 0 0 458.624 4.938 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001492598818 1066648462 /nfs/dbraw/zinc/64/84/62/1066648462.db2.gz PTPKRWGIABNQPU-FSSWDIPSSA-N 0 0 499.656 4.741 20 0 JJADRN COc1cc(C[C@@H](CO)CNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc(OC)c1 ZINC001446034252 1066648537 /nfs/dbraw/zinc/64/85/37/1066648537.db2.gz GBAWXUZQIPVDJV-GOSISDBHSA-N 0 0 454.592 4.532 20 0 JJADRN CC[C@@](C)(NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1nccs1 ZINC001456624166 1066648958 /nfs/dbraw/zinc/64/89/58/1066648958.db2.gz LNEYWEZAIMOLEH-LJQANCHMSA-N 0 0 450.358 4.836 20 0 JJADRN Cc1ccccc1OCCCn1c(C(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001492598960 1066649156 /nfs/dbraw/zinc/64/91/56/1066649156.db2.gz SDFQPCMSBSSDRL-HXUWFJFHSA-N 0 0 453.562 4.761 20 0 JJADRN Cc1ccccc1OCCCn1c(C(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001492598959 1066649238 /nfs/dbraw/zinc/64/92/38/1066649238.db2.gz SDFQPCMSBSSDRL-FQEVSTJZSA-N 0 0 453.562 4.761 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)[C@H]2C[C@H]21 ZINC001446036518 1066649870 /nfs/dbraw/zinc/64/98/70/1066649870.db2.gz VGGULPGDEVAMSM-OEYYQIPYSA-N 0 0 450.579 4.841 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)nnn1Cc1ccc(F)cc1 ZINC001446038930 1066649957 /nfs/dbraw/zinc/64/99/57/1066649957.db2.gz WDXSUWYZZKYQKX-RUZDIDTESA-N 0 0 458.537 4.946 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC001446038792 1066650014 /nfs/dbraw/zinc/65/00/14/1066650014.db2.gz QURUOPUJXHAQCA-UHFFFAOYSA-N 0 0 452.576 4.741 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492599416 1066650575 /nfs/dbraw/zinc/65/05/75/1066650575.db2.gz ZFJWUGYVTBFLBC-OTWHNJEPSA-N 0 0 479.547 4.737 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1OC(F)(F)F ZINC001446040305 1066650632 /nfs/dbraw/zinc/65/06/32/1066650632.db2.gz GGKQELYNMAMVCJ-LJQANCHMSA-N 0 0 452.473 4.818 20 0 JJADRN Cc1cc2cc(C(=O)N3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C3)oc2c(Br)c1 ZINC001456628456 1066650726 /nfs/dbraw/zinc/65/07/26/1066650726.db2.gz KAWDJKDOKYTCCV-UKRRQHHQSA-N 0 0 451.361 4.737 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001546083773 1066650784 /nfs/dbraw/zinc/65/07/84/1066650784.db2.gz SRVDFWTZCSYSDU-UNIVCBNLSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1ccccc1OCCCn1c(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nnc1C(C)(C)C ZINC001492599770 1066651207 /nfs/dbraw/zinc/65/12/07/1066651207.db2.gz CTAUZEBZOFTGSC-OYRHEFFESA-N 0 0 483.657 4.656 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2CCC(F)(F)F)cc1 ZINC001446044050 1066651259 /nfs/dbraw/zinc/65/12/59/1066651259.db2.gz DQOINGCMNQKXFU-UHFFFAOYSA-N 0 0 456.530 4.786 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC001546083845 1066651495 /nfs/dbraw/zinc/65/14/95/1066651495.db2.gz UEFFEVOFRWWOIK-IMIIHFCZSA-N 0 0 456.631 4.591 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC001546083843 1066651503 /nfs/dbraw/zinc/65/15/03/1066651503.db2.gz UEFFEVOFRWWOIK-AVJFOWIRSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001492599854 1066651938 /nfs/dbraw/zinc/65/19/38/1066651938.db2.gz DAKGUWAQKWOALB-UHFFFAOYSA-N 0 0 481.666 4.668 20 0 JJADRN Cc1ccccc1OCCCn1c(C2CCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001492599967 1066652001 /nfs/dbraw/zinc/65/20/01/1066652001.db2.gz FCGPBCBYJLWQQM-UHFFFAOYSA-N 0 0 462.520 4.712 20 0 JJADRN C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001446050995 1066652102 /nfs/dbraw/zinc/65/21/02/1066652102.db2.gz UIGRPYAVGHKTRU-GFCCVEGCSA-N 0 0 450.720 4.799 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCSC1(C)C ZINC001492600054 1066652455 /nfs/dbraw/zinc/65/24/55/1066652455.db2.gz HLLISEFQCZBSIA-HFZDXXHNSA-N 0 0 488.698 4.674 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492600446 1066653205 /nfs/dbraw/zinc/65/32/05/1066653205.db2.gz NDOSRMBOBPWOQD-RXVVDRJESA-N 0 0 469.630 4.625 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC=CO1 ZINC001492600360 1066653223 /nfs/dbraw/zinc/65/32/23/1066653223.db2.gz LTXRCDNRQRMDOU-GOSISDBHSA-N 0 0 472.387 4.552 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C1 ZINC001446060106 1066653396 /nfs/dbraw/zinc/65/33/96/1066653396.db2.gz COGNMXUXNTXPMN-HUUCEWRRSA-N 0 0 453.505 4.963 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC001446058471 1066653451 /nfs/dbraw/zinc/65/34/51/1066653451.db2.gz AEHAFXHQBGRBDH-LSDHHAIUSA-N 0 0 459.450 4.985 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001446063210 1066653810 /nfs/dbraw/zinc/65/38/10/1066653810.db2.gz GGUWCOVFKIDQPF-ZWKOTPCHSA-N 0 0 458.578 4.729 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492600645 1066653860 /nfs/dbraw/zinc/65/38/60/1066653860.db2.gz PAIUWDSHPDRRPW-CUNXSJBXSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 ZINC001492600795 1066654451 /nfs/dbraw/zinc/65/44/51/1066654451.db2.gz SSJZVGPTWAKROP-FQEVSTJZSA-N 0 0 487.670 4.681 20 0 JJADRN Cc1ccccc1OCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001492600716 1066654474 /nfs/dbraw/zinc/65/44/74/1066654474.db2.gz QUEMKHBWCITCJS-IFMALSPDSA-N 0 0 499.656 4.600 20 0 JJADRN Cc1ccccc1OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001492600712 1066654522 /nfs/dbraw/zinc/65/45/22/1066654522.db2.gz QUAIBXTXUIGTDL-GOSISDBHSA-N 0 0 489.592 4.529 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)(C)C)nnc1N1CCC(Cn2cccn2)CC1 ZINC001492600661 1066654526 /nfs/dbraw/zinc/65/45/26/1066654526.db2.gz PJDRNWIATHCLMG-UHFFFAOYSA-N 0 0 450.631 4.757 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001446068134 1066654637 /nfs/dbraw/zinc/65/46/37/1066654637.db2.gz MWIFQDGETMBBJZ-ZWKOTPCHSA-N 0 0 451.007 4.540 20 0 JJADRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001446066935 1066654641 /nfs/dbraw/zinc/65/46/41/1066654641.db2.gz KPTPDYCUGXIITM-LBPRGKRZSA-N 0 0 458.411 4.960 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001446071756 1066655356 /nfs/dbraw/zinc/65/53/56/1066655356.db2.gz PWWOJAPTAJJGKD-JKSUJKDBSA-N 0 0 451.995 4.700 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)ccc1OCCO ZINC001446076423 1066655383 /nfs/dbraw/zinc/65/53/83/1066655383.db2.gz VYZQVAPYJLXIJW-OSPHWJPCSA-N 0 0 455.551 4.916 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC001446076456 1066655429 /nfs/dbraw/zinc/65/54/29/1066655429.db2.gz TYTOQBJDJNDGJN-HZPDHXFCSA-N 0 0 453.421 4.879 20 0 JJADRN CCC[C@@H](C)N(C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1nc(C)c(C(=O)OCC)s1 ZINC001456640229 1066655524 /nfs/dbraw/zinc/65/55/24/1066655524.db2.gz NIERITBSZYRBSI-GDBMZVCRSA-N 0 0 455.621 4.795 20 0 JJADRN Cc1ccccc1OCCCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492601258 1066655770 /nfs/dbraw/zinc/65/57/70/1066655770.db2.gz ZUIXHZRRGCIBQQ-KCWPFWIISA-N 0 0 470.658 4.969 20 0 JJADRN CN(c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC001446078267 1066656028 /nfs/dbraw/zinc/65/60/28/1066656028.db2.gz UQHYUNOTCDITGC-UHFFFAOYSA-N 0 0 451.592 4.526 20 0 JJADRN CC(C)(C)C[C@@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545980893 1066656115 /nfs/dbraw/zinc/65/61/15/1066656115.db2.gz DFUARAQWINRLKR-SFHVURJKSA-N 0 0 456.384 4.829 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccccc2NC(=O)OCc2ccccc2)n1 ZINC001446083609 1066656881 /nfs/dbraw/zinc/65/68/81/1066656881.db2.gz DWQLFFWIKYWLJA-INIZCTEOSA-N 0 0 454.552 4.905 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CCCc3cccc(C(F)(F)F)c3)C2)c1 ZINC001446085728 1066657413 /nfs/dbraw/zinc/65/74/13/1066657413.db2.gz IRPXNYRGIRZOOU-SFHVURJKSA-N 0 0 450.501 4.688 20 0 JJADRN 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Cc1nc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)sc1C ZINC001492610695 1066672863 /nfs/dbraw/zinc/67/28/63/1066672863.db2.gz FECWDSKRXSONKQ-FQEVSTJZSA-N 0 0 486.686 4.865 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)ccc1Cl ZINC001456715188 1066672877 /nfs/dbraw/zinc/67/28/77/1066672877.db2.gz GELXRFYUYZUIIY-SFHVURJKSA-N 0 0 459.395 4.693 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 ZINC001456713550 1066672990 /nfs/dbraw/zinc/67/29/90/1066672990.db2.gz ZWVBUUOCOJKWMS-JVCIDUABSA-N 0 0 450.576 4.694 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192100 1066673174 /nfs/dbraw/zinc/67/31/74/1066673174.db2.gz FUPGPUHHODCFCV-FCHUYYIVSA-N 0 0 453.949 4.805 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)c2)n1 ZINC001446192130 1066673237 /nfs/dbraw/zinc/67/32/37/1066673237.db2.gz FUPGPUHHODCFCV-FGZHOGPDSA-N 0 0 453.949 4.805 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001456718136 1066673763 /nfs/dbraw/zinc/67/37/63/1066673763.db2.gz GUHLKKKZSDOKPM-LNLFQRSKSA-N 0 0 453.587 4.586 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)Cn1nc(C(F)F)cc1C(F)F)C2 ZINC001456719444 1066673830 /nfs/dbraw/zinc/67/38/30/1066673830.db2.gz ILPJJFFEPUKYRN-UHFFFAOYSA-N 0 0 456.440 4.690 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC=C(C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001492613038 1066674802 /nfs/dbraw/zinc/67/48/02/1066674802.db2.gz DDWSOHJGUGDMQY-JGCGQSQUSA-N 0 0 479.090 4.955 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001492613013 1066674880 /nfs/dbraw/zinc/67/48/80/1066674880.db2.gz CJCOOEXQTWFGDO-UHFFFAOYSA-N 0 0 453.631 4.608 20 0 JJADRN CC1=CCCN(c2nnc(CCCc3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C1 ZINC001492613192 1066675567 /nfs/dbraw/zinc/67/55/67/1066675567.db2.gz KTDYEAUNELBHFO-UHFFFAOYSA-N 0 0 471.531 4.531 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001492613591 1066676186 /nfs/dbraw/zinc/67/61/86/1066676186.db2.gz AKTMUGYGLCUQKN-UHFFFAOYSA-N 0 0 453.465 4.676 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)OC(C)(C)C)C1 ZINC001492613755 1066677056 /nfs/dbraw/zinc/67/70/56/1066677056.db2.gz HLZGKVNSFYYPRN-UHFFFAOYSA-N 0 0 482.412 4.845 20 0 JJADRN COC(=O)CC1(CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)CCCC1 ZINC001456735052 1066677390 /nfs/dbraw/zinc/67/73/90/1066677390.db2.gz LJMLPAFEUQRDPZ-XMMPIXPASA-N 0 0 453.579 4.565 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cnc(Br)cn1 ZINC001456735560 1066677403 /nfs/dbraw/zinc/67/74/03/1066677403.db2.gz ZKRRUFSTMLGZIG-JTQLQIEISA-N 0 0 453.749 4.808 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCCS(C)(=O)=O)C1 ZINC001492614072 1066677685 /nfs/dbraw/zinc/67/76/85/1066677685.db2.gz SSMAZXYTGPMLQB-UHFFFAOYSA-N 0 0 487.453 4.535 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001446242653 1066678174 /nfs/dbraw/zinc/67/81/74/1066678174.db2.gz HYBQRWDCVBKUOX-UHFFFAOYSA-N 0 0 454.615 4.657 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446242502 1066678222 /nfs/dbraw/zinc/67/82/22/1066678222.db2.gz YZBHBIQUSXRNAH-UNMCSNQZSA-N 0 0 459.512 4.616 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001446241970 1066678242 /nfs/dbraw/zinc/67/82/42/1066678242.db2.gz RHORHOZHWHLDJF-JOCHJYFZSA-N 0 0 452.551 4.656 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOCC2CCOCC2)CC1 ZINC001492614261 1066678383 /nfs/dbraw/zinc/67/83/83/1066678383.db2.gz AINWLQYIYUYLQI-HXUWFJFHSA-N 0 0 458.578 4.547 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)C1CC1 ZINC001456741046 1066678725 /nfs/dbraw/zinc/67/87/25/1066678725.db2.gz BIKVJZMPKRTZOW-MRXNPFEDSA-N 0 0 457.434 4.739 20 0 JJADRN CC[C@H](NC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C(C)(C)c1ccccc1 ZINC001456741238 1066678866 /nfs/dbraw/zinc/67/88/66/1066678866.db2.gz CACBBWXEPLLWFR-NRFANRHFSA-N 0 0 454.615 4.560 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456740436 1066678996 /nfs/dbraw/zinc/67/89/96/1066678996.db2.gz VWXHORBCKXXLAR-LMNJBCLMSA-N 0 0 457.571 4.706 20 0 JJADRN C[C@H](NC(=O)c1ccc2scc(Br)c2c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001456746403 1066679619 /nfs/dbraw/zinc/67/96/19/1066679619.db2.gz KKNVNYCRHRHSHE-YWZLYKJASA-N 0 0 459.409 4.683 20 0 JJADRN CC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001492614795 1066679742 /nfs/dbraw/zinc/67/97/42/1066679742.db2.gz PRIRFGCMAPZLCM-MRXNPFEDSA-N 0 0 459.472 4.758 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CC(=O)NCc1ccco1 ZINC001492614797 1066679763 /nfs/dbraw/zinc/67/97/63/1066679763.db2.gz PRUXNNFKJYFJTK-LJQANCHMSA-N 0 0 484.000 4.754 20 0 JJADRN COc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc(Cl)c1OCCC(C)C ZINC001456743778 1066679715 /nfs/dbraw/zinc/67/97/15/1066679715.db2.gz GTUJFOSKVJDZOA-SFHVURJKSA-N 0 0 454.995 4.807 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001456743854 1066679783 /nfs/dbraw/zinc/67/97/83/1066679783.db2.gz GYRONVGLTBRGOR-KOSHJBKYSA-N 0 0 451.954 4.547 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2Br)CC1 ZINC001456747004 1066680310 /nfs/dbraw/zinc/68/03/10/1066680310.db2.gz LQUUWGSSZJHURZ-GOSISDBHSA-N 0 0 453.421 4.926 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c(O)c(OC)c1 ZINC001456750295 1066680327 /nfs/dbraw/zinc/68/03/27/1066680327.db2.gz SUXKQJPDJQOHMP-UHFFFAOYSA-N 0 0 457.486 4.601 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC001456749452 1066680380 /nfs/dbraw/zinc/68/03/80/1066680380.db2.gz JGHWWKOHPMUPRB-LRXVAGHRSA-N 0 0 455.396 4.767 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCc1ccn(C)n1 ZINC001492614663 1066680517 /nfs/dbraw/zinc/68/05/17/1066680517.db2.gz MEUIUUHVNPGKDD-IBGZPJMESA-N 0 0 455.006 4.821 20 0 JJADRN CO[C@H](C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1Br ZINC001456752504 1066681319 /nfs/dbraw/zinc/68/13/19/1066681319.db2.gz WOTDKLKGJPWYNA-KRWDZBQOSA-N 0 0 453.174 4.747 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2CCOc2ncccc2F)CC1 ZINC001492615378 1066681221 /nfs/dbraw/zinc/68/12/21/1066681221.db2.gz KJISZIADZHHMRN-UHFFFAOYSA-N 0 0 464.364 4.539 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)c1C ZINC001456752999 1066681377 /nfs/dbraw/zinc/68/13/77/1066681377.db2.gz QMRAQXNTLPUFBG-CYBMUJFWSA-N 0 0 458.349 4.825 20 0 JJADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C)CC2)cc1 ZINC001492615551 1066681628 /nfs/dbraw/zinc/68/16/28/1066681628.db2.gz QJSAZLVJSXZOKJ-KRWDZBQOSA-N 0 0 456.388 4.968 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC001446270874 1066681795 /nfs/dbraw/zinc/68/17/95/1066681795.db2.gz BQOSLDLKKCPMCM-VANUSSGQSA-N 0 0 458.558 4.538 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001446270870 1066681839 /nfs/dbraw/zinc/68/18/39/1066681839.db2.gz BQOSLDLKKCPMCM-LZYPDUGYSA-N 0 0 458.558 4.538 20 0 JJADRN Cc1ccnc(OC2CCN(C(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc43)CC2)c1 ZINC001546084804 1066681908 /nfs/dbraw/zinc/68/19/08/1066681908.db2.gz VZFLJCZUMPQYFK-LJQANCHMSA-N 0 0 451.567 4.689 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001456760585 1066681955 /nfs/dbraw/zinc/68/19/55/1066681955.db2.gz AEGPTSWQCLBKMD-KRWDZBQOSA-N 0 0 452.414 4.692 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001492615637 1066682495 /nfs/dbraw/zinc/68/24/95/1066682495.db2.gz UCSNLGLTEBHAFQ-YJBOKZPZSA-N 0 0 451.434 4.987 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC001446275475 1066683029 /nfs/dbraw/zinc/68/30/29/1066683029.db2.gz PRBRTPWOOJZFSE-AUSIDOKSSA-N 0 0 450.608 4.767 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001492615817 1066683173 /nfs/dbraw/zinc/68/31/73/1066683173.db2.gz ZOAFHUJBIHOPPB-HXUWFJFHSA-N 0 0 496.331 4.642 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)cc2)cc1 ZINC001446275729 1066683141 /nfs/dbraw/zinc/68/31/41/1066683141.db2.gz NJYUUUOTECBBNZ-UARRHKHWSA-N 0 0 466.578 4.696 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC001545983887 1066683804 /nfs/dbraw/zinc/68/38/04/1066683804.db2.gz XTSFCLREVSYSGT-FQEVSTJZSA-N 0 0 454.930 4.763 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC2CCOCC2)CC1 ZINC001492616316 1066683816 /nfs/dbraw/zinc/68/38/16/1066683816.db2.gz UMDCKIQELYBROD-UHFFFAOYSA-N 0 0 451.398 4.994 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)c1cnn(C(C)(C)C)c1I ZINC001456767571 1066684011 /nfs/dbraw/zinc/68/40/11/1066684011.db2.gz ZINBMVATZNNCJV-INIZCTEOSA-N 0 0 453.368 4.774 20 0 JJADRN Cc1ccc(OCCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=C(C)CC2)cc1 ZINC001492617325 1066684471 /nfs/dbraw/zinc/68/44/71/1066684471.db2.gz CPIDXNXGFXXLFA-HSZRJFAPSA-N 0 0 497.640 4.520 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccc(F)c2)CC1 ZINC001492617261 1066684487 /nfs/dbraw/zinc/68/44/87/1066684487.db2.gz BPSNQUKLPSDHTA-UHFFFAOYSA-N 0 0 455.578 4.736 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2I)ccc1OCC(F)(F)F ZINC001456768260 1066684651 /nfs/dbraw/zinc/68/46/51/1066684651.db2.gz RLQWKCRZFBUIIN-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)NCc3ccnc(N4CCCCCC4)c3)cs2)cc1 ZINC001446283719 1066685217 /nfs/dbraw/zinc/68/52/17/1066685217.db2.gz CWXDMCKPDQLNJA-UHFFFAOYSA-N 0 0 450.608 4.665 20 0 JJADRN CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C(F)F)c2)CC1 ZINC001492617590 1066685211 /nfs/dbraw/zinc/68/52/11/1066685211.db2.gz JXIDOZMPDSBWJW-HXUWFJFHSA-N 0 0 489.567 4.729 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001492618395 1066685999 /nfs/dbraw/zinc/68/59/99/1066685999.db2.gz HTKXPHIHABWCEX-UHFFFAOYSA-N 0 0 461.463 4.549 20 0 JJADRN CCC1(CO)CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 ZINC001446286825 1066686048 /nfs/dbraw/zinc/68/60/48/1066686048.db2.gz AKLONBQNQHSMTE-UHFFFAOYSA-N 0 0 453.764 4.915 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSC(F)(F)F)CC1 ZINC001492618206 1066686019 /nfs/dbraw/zinc/68/60/19/1066686019.db2.gz ZOQNRROGFQTIFU-UHFFFAOYSA-N 0 0 475.581 4.802 20 0 JJADRN CC1=CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001492619165 1066686512 /nfs/dbraw/zinc/68/65/12/1066686512.db2.gz LADLWSDTYPEHEJ-UHFFFAOYSA-N 0 0 471.527 4.994 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(C)c3)CC2)cc1 ZINC001446298680 1066687629 /nfs/dbraw/zinc/68/76/29/1066687629.db2.gz XQZVXRBSMJQPJG-XMMPIXPASA-N 0 0 452.620 4.561 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001446295564 1066687753 /nfs/dbraw/zinc/68/77/53/1066687753.db2.gz GIWPXGLRYFCVJX-HBUWYVDXSA-N 0 0 457.384 4.671 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1(C)C ZINC001456777534 1066687931 /nfs/dbraw/zinc/68/79/31/1066687931.db2.gz ITVKCGZGRLVQRB-PMACEKPBSA-N 0 0 459.384 4.977 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001492619799 1066688019 /nfs/dbraw/zinc/68/80/19/1066688019.db2.gz KAZGCTVGHXTDST-HSZRJFAPSA-N 0 0 475.431 4.717 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001492619800 1066688168 /nfs/dbraw/zinc/68/81/68/1066688168.db2.gz KAZGCTVGHXTDST-QHCPKHFHSA-N 0 0 475.431 4.717 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1(C)C ZINC001456777781 1066688485 /nfs/dbraw/zinc/68/84/85/1066688485.db2.gz ITVKCGZGRLVQRB-WOJBJXKFSA-N 0 0 459.384 4.977 20 0 JJADRN CC1=CCN(c2nnc(COc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001492619989 1066688507 /nfs/dbraw/zinc/68/85/07/1066688507.db2.gz QXRSFSNMZMQYML-UHFFFAOYSA-N 0 0 455.534 4.504 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001492619959 1066688536 /nfs/dbraw/zinc/68/85/36/1066688536.db2.gz PTGMCZLBBGYTPH-HKBOAZHASA-N 0 0 459.635 4.712 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001492619914 1066688615 /nfs/dbraw/zinc/68/86/15/1066688615.db2.gz OKDHSUONUOELQK-UHFFFAOYSA-N 0 0 483.588 4.720 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)c2ccccc2)CC1 ZINC001492619935 1066688634 /nfs/dbraw/zinc/68/86/34/1066688634.db2.gz PEKYMTUNQYOQSO-VSKRKVRLSA-N 0 0 480.657 4.730 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001492619960 1066688655 /nfs/dbraw/zinc/68/86/55/1066688655.db2.gz PTGMCZLBBGYTPH-NJYVYQBISA-N 0 0 459.635 4.712 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001492619974 1066688703 /nfs/dbraw/zinc/68/87/03/1066688703.db2.gz QDPXYWIKSJRIMK-IRXDYDNUSA-N 0 0 451.398 4.993 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC001456782595 1066689330 /nfs/dbraw/zinc/68/93/30/1066689330.db2.gz HBWMGKJGMYNADY-HXUWFJFHSA-N 0 0 456.589 4.603 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC001456782579 1066689446 /nfs/dbraw/zinc/68/94/46/1066689446.db2.gz HBWMGKJGMYNADY-FQEVSTJZSA-N 0 0 456.589 4.603 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545984415 1066689562 /nfs/dbraw/zinc/68/95/62/1066689562.db2.gz JWEDDLQXCIWDSV-RTBURBONSA-N 0 0 473.593 4.646 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1C ZINC001446310351 1066689599 /nfs/dbraw/zinc/68/95/99/1066689599.db2.gz OVEKVOSCDCKCAO-BJKOFHAPSA-N 0 0 450.579 4.539 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCCOCCC(C)C)C2)c1 ZINC001492620327 1066689906 /nfs/dbraw/zinc/68/99/06/1066689906.db2.gz CKVIKAZCHJUBKD-OAQYLSRUSA-N 0 0 454.594 4.883 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3F)C2)c1 ZINC001492620545 1066690740 /nfs/dbraw/zinc/69/07/40/1066690740.db2.gz HLBLDJVQDZWZCV-PMACEKPBSA-N 0 0 454.594 4.820 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3F)C2)c1 ZINC001492620546 1066690795 /nfs/dbraw/zinc/69/07/95/1066690795.db2.gz HLBLDJVQDZWZCV-UXHICEINSA-N 0 0 454.594 4.820 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(OC)C2CC2)CCO1 ZINC001546084939 1066690898 /nfs/dbraw/zinc/69/08/98/1066690898.db2.gz ASPHLHIOAXLGDO-VQTJNVASSA-N 0 0 469.449 4.590 20 0 JJADRN O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(I)c(Cl)cc1Cl ZINC001446331106 1066691069 /nfs/dbraw/zinc/69/10/69/1066691069.db2.gz JJQKSBBPUZUQIN-UHFFFAOYSA-N 0 0 459.074 4.635 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4ccccc4C)n3CCOCC(F)(F)C(F)F)C2)c1 ZINC001492621117 1066691347 /nfs/dbraw/zinc/69/13/47/1066691347.db2.gz TWQQGODCPPYJDW-SFHVURJKSA-N 0 0 480.510 4.517 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CC(F)(F)Br)C2)c1 ZINC001492621009 1066691469 /nfs/dbraw/zinc/69/14/69/1066691469.db2.gz QIRMLYZUGVSQBK-INIZCTEOSA-N 0 0 485.764 4.933 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCOCC(F)(F)C(F)F)C2)c1 ZINC001492621116 1066691556 /nfs/dbraw/zinc/69/15/56/1066691556.db2.gz TWQQGODCPPYJDW-GOSISDBHSA-N 0 0 480.510 4.517 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC(=O)Nc3cccc(Cl)c3C)C2)c1 ZINC001492621555 1066691921 /nfs/dbraw/zinc/69/19/21/1066691921.db2.gz ASTGSDDXMAIKGY-HXUWFJFHSA-N 0 0 484.048 4.814 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446333221 1066691937 /nfs/dbraw/zinc/69/19/37/1066691937.db2.gz MNUPHBOMDNPYRO-FSPWUOQZSA-N 0 0 451.405 4.662 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)C)n3Cc3cccc(NC(=O)CC(C)C)c3)C2)c1 ZINC001492621571 1066691987 /nfs/dbraw/zinc/69/19/87/1066691987.db2.gz BMOAIVUHWRVRNE-XMMPIXPASA-N 0 0 477.657 4.856 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)OCc1ccc(Br)cc1Cl ZINC001456794353 1066691943 /nfs/dbraw/zinc/69/19/43/1066691943.db2.gz UASIAQHQODXWCX-UHFFFAOYSA-N 0 0 454.748 4.755 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCCCSC)CCO1 ZINC001546085000 1066692011 /nfs/dbraw/zinc/69/20/11/1066692011.db2.gz CFTZJMAHVMCLNG-HXUWFJFHSA-N 0 0 453.450 4.856 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCC(=O)N(C)C)CC2)c1 ZINC001492621864 1066692768 /nfs/dbraw/zinc/69/27/68/1066692768.db2.gz IFRYOORKBYIGAM-UHFFFAOYSA-N 0 0 491.684 4.533 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ccc([C@@H](C)O)c(C)n2)c1 ZINC001446336267 1066692956 /nfs/dbraw/zinc/69/29/56/1066692956.db2.gz PQODGZSLZSCODT-LJQANCHMSA-N 0 0 456.546 4.543 20 0 JJADRN COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)C1 ZINC001456798417 1066693013 /nfs/dbraw/zinc/69/30/13/1066693013.db2.gz HJLIQYSRRUUFOC-VGOFRKELSA-N 0 0 454.542 4.825 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC001456798508 1066693048 /nfs/dbraw/zinc/69/30/48/1066693048.db2.gz CAMSOYPLYVONDG-HFZDXXHNSA-N 0 0 456.586 4.673 20 0 JJADRN CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC001456798510 1066693058 /nfs/dbraw/zinc/69/30/58/1066693058.db2.gz CAMSOYPLYVONDG-LVXARBLLSA-N 0 0 456.586 4.673 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)CC2)c1 ZINC001492622316 1066693375 /nfs/dbraw/zinc/69/33/75/1066693375.db2.gz KQXSJXUWAIAAPA-UHFFFAOYSA-N 0 0 477.476 4.770 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001446339692 1066693508 /nfs/dbraw/zinc/69/35/08/1066693508.db2.gz PUKPDDPSYXNSIE-HTAPYJJXSA-N 0 0 477.403 4.937 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001446342900 1066694384 /nfs/dbraw/zinc/69/43/84/1066694384.db2.gz SUWVJMPARYYJAV-QAQDUYKDSA-N 0 0 454.962 4.588 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(Cc4ccccc4C)n3C[C@@](C)(O)CCC(C)C)C2)c1 ZINC001492622645 1066694340 /nfs/dbraw/zinc/69/43/40/1066694340.db2.gz QLLMFEMCZNDZOS-IGKIAQTJSA-N 0 0 464.658 4.711 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCOCC(C)C)C2)c1 ZINC001492622928 1066694674 /nfs/dbraw/zinc/69/46/74/1066694674.db2.gz VEJPNJMJNHCJIK-DNVJHFABSA-N 0 0 472.678 4.606 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001545984865 1066694833 /nfs/dbraw/zinc/69/48/33/1066694833.db2.gz QSOGUXJNTWTGDZ-QGZVFWFLSA-N 0 0 489.617 4.643 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001545984864 1066695013 /nfs/dbraw/zinc/69/50/13/1066695013.db2.gz QSOGUXJNTWTGDZ-KRWDZBQOSA-N 0 0 489.617 4.643 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)ccc2s1 ZINC001446353640 1066695055 /nfs/dbraw/zinc/69/50/55/1066695055.db2.gz SSDXRILTVQYOSG-UHFFFAOYSA-N 0 0 453.516 4.841 20 0 JJADRN CC[C@H](C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001456803750 1066695272 /nfs/dbraw/zinc/69/52/72/1066695272.db2.gz QYZUCYQHIUVGQA-OALUTQOASA-N 0 0 458.986 4.578 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CCc4ccccc4)n3CCSC(C)C)CC2)c1 ZINC001492623008 1066695529 /nfs/dbraw/zinc/69/55/29/1066695529.db2.gz UQGWZJOANZBJGZ-UHFFFAOYSA-N 0 0 452.672 4.626 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1)c1cccs1 ZINC001456804722 1066695755 /nfs/dbraw/zinc/69/57/55/1066695755.db2.gz RXTZPSOYTRIFJR-GOSISDBHSA-N 0 0 453.951 4.579 20 0 JJADRN Cc1cnn(CCn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)CCC(F)(F)F)c1 ZINC001492623712 1066696244 /nfs/dbraw/zinc/69/62/44/1066696244.db2.gz LQGCZWHYTSWKDB-UHFFFAOYSA-N 0 0 475.544 4.971 20 0 JJADRN Cc1cnn(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(Cl)s2)c1 ZINC001492624268 1066696324 /nfs/dbraw/zinc/69/63/24/1066696324.db2.gz RRKKAEVVURIPKY-UHFFFAOYSA-N 0 0 480.823 4.592 20 0 JJADRN CC[C@@H](NC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1)c1c(C)noc1C ZINC001446363036 1066696299 /nfs/dbraw/zinc/69/62/99/1066696299.db2.gz QXXVWIMZGHTCIF-BXUZGUMPSA-N 0 0 454.312 4.576 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001456805508 1066696617 /nfs/dbraw/zinc/69/66/17/1066696617.db2.gz DFBJOVCSHQSWPW-MRXNPFEDSA-N 0 0 452.045 4.707 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001492624410 1066696698 /nfs/dbraw/zinc/69/66/98/1066696698.db2.gz VJBLWWBOYLHJRN-WOJBJXKFSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001446369544 1066696914 /nfs/dbraw/zinc/69/69/14/1066696914.db2.gz AJHHMPHAFAKXCE-FQEVSTJZSA-N 0 0 451.527 4.801 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001446364114 1066696942 /nfs/dbraw/zinc/69/69/42/1066696942.db2.gz HUGBYKNXZAOLQC-KRWDZBQOSA-N 0 0 453.380 4.892 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)CCOc2ccc(C)cc2Br)n(-c2ccccc2)n1 ZINC001446376847 1066697764 /nfs/dbraw/zinc/69/77/64/1066697764.db2.gz GXGFHUBCYNOJFA-QGZVFWFLSA-N 0 0 456.384 4.768 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001456809102 1066697793 /nfs/dbraw/zinc/69/77/93/1066697793.db2.gz APRULTWGSRWOBB-YADARESESA-N 0 0 453.579 4.694 20 0 JJADRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)nnn1Cc1ccncc1 ZINC001456809461 1066697884 /nfs/dbraw/zinc/69/78/84/1066697884.db2.gz CHTSTGACIAEBPD-UHFFFAOYSA-N 0 0 457.428 4.658 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC001545985128 1066698576 /nfs/dbraw/zinc/69/85/76/1066698576.db2.gz VSSPEVOQTHDAMT-JOCHJYFZSA-N 0 0 453.675 4.924 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001492627635 1066698733 /nfs/dbraw/zinc/69/87/33/1066698733.db2.gz GAEAXOURBRBBKY-UHFFFAOYSA-N 0 0 457.003 4.722 20 0 JJADRN CN1C[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c2ccccc2C1=O ZINC001456816792 1066700132 /nfs/dbraw/zinc/70/01/32/1066700132.db2.gz FVIFKVDGFNTXCO-OAQYLSRUSA-N 0 0 455.396 4.637 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1)c1ccccc1 ZINC001456817956 1066700510 /nfs/dbraw/zinc/70/05/10/1066700510.db2.gz KNYOAPXWXNOABU-KRWDZBQOSA-N 0 0 458.436 4.880 20 0 JJADRN Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccccc2Cl)c1 ZINC001492629202 1066700766 /nfs/dbraw/zinc/70/07/66/1066700766.db2.gz WSFILXFPLKYVIC-DENIHFKCSA-N 0 0 487.048 4.570 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492629381 1066700780 /nfs/dbraw/zinc/70/07/80/1066700780.db2.gz ANLODDFAFJYRCT-RISCZKNCSA-N 0 0 467.462 4.546 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001446390204 1066701005 /nfs/dbraw/zinc/70/10/05/1066701005.db2.gz ZXQVMQKQFCZKND-YCRPNKLZSA-N 0 0 453.377 4.822 20 0 JJADRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001446390355 1066701051 /nfs/dbraw/zinc/70/10/51/1066701051.db2.gz HGUVIIJAZJPLOL-HXUWFJFHSA-N 0 0 459.409 4.915 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nnc(C)s2)CCO1 ZINC001546085094 1066701337 /nfs/dbraw/zinc/70/13/37/1066701337.db2.gz DUKGJRPUIWMVPM-LJQANCHMSA-N 0 0 497.850 4.575 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(F)cc2)s1 ZINC001492629554 1066701364 /nfs/dbraw/zinc/70/13/64/1066701364.db2.gz CQICSACVWYLWKA-MRXNPFEDSA-N 0 0 452.559 4.563 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccc(F)cc4C3)c2)c1 ZINC001446395566 1066701401 /nfs/dbraw/zinc/70/14/01/1066701401.db2.gz TTXRDLUSMSJDSD-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001446396531 1066701577 /nfs/dbraw/zinc/70/15/77/1066701577.db2.gz MFPTYFOMEKTOTB-DEOSSOPVSA-N 0 0 456.995 4.819 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c2N1 ZINC001446399035 1066701953 /nfs/dbraw/zinc/70/19/53/1066701953.db2.gz RESZAMJLDLQGJD-GBIKHYSHSA-N 0 0 467.439 4.686 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001492629741 1066701911 /nfs/dbraw/zinc/70/19/11/1066701911.db2.gz HFFDCEPXHJJYFA-OIISXLGYSA-N 0 0 487.651 4.518 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ccccc2)CCO1 ZINC001546085120 1066702447 /nfs/dbraw/zinc/70/24/47/1066702447.db2.gz DZQSUCSZNSKNPD-KSFYIVLOSA-N 0 0 458.404 4.845 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492629892 1066702586 /nfs/dbraw/zinc/70/25/86/1066702586.db2.gz JQMGOVMRHBFIQR-LURPTGHASA-N 0 0 480.663 4.844 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545985378 1066702453 /nfs/dbraw/zinc/70/24/53/1066702453.db2.gz ZSNXMQAKXWCJRM-FYYLOGMGSA-N 0 0 499.656 4.653 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001545985621 1066702621 /nfs/dbraw/zinc/70/26/21/1066702621.db2.gz ICXGPTPKYQCORZ-FQEVSTJZSA-N 0 0 453.848 4.985 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492630014 1066703063 /nfs/dbraw/zinc/70/30/63/1066703063.db2.gz MBGVFCOIBXLKKW-CQSZACIVSA-N 0 0 493.475 4.593 20 0 JJADRN O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001446419887 1066703150 /nfs/dbraw/zinc/70/31/50/1066703150.db2.gz FPDBVMOGAQDSQT-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)s1 ZINC001492630231 1066704143 /nfs/dbraw/zinc/70/41/43/1066704143.db2.gz QGAXHVZRBJXTMZ-INIZCTEOSA-N 0 0 452.559 4.563 20 0 JJADRN COc1ccc(CN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c2ccncc2)cc1 ZINC001456837530 1066704136 /nfs/dbraw/zinc/70/41/36/1066704136.db2.gz ALAFRAJRNPKJRN-UHFFFAOYSA-N 0 0 453.424 4.537 20 0 JJADRN O=C(NCc1cc2cccnc2cc1Br)c1ccccc1COC1CCOCC1 ZINC001446427388 1066704145 /nfs/dbraw/zinc/70/41/45/1066704145.db2.gz AKPKHJRVADLTOB-UHFFFAOYSA-N 0 0 455.352 4.623 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc2c(cnn2C(F)F)c1 ZINC001446428057 1066704494 /nfs/dbraw/zinc/70/44/94/1066704494.db2.gz OPGBXZKXYSZYTH-HHHXNRCGSA-N 0 0 456.312 4.720 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)s1 ZINC001492630346 1066704691 /nfs/dbraw/zinc/70/46/91/1066704691.db2.gz SDXVJMCNKQDUKR-ICSRJNTNSA-N 0 0 466.655 4.563 20 0 JJADRN COc1ccc(CN(C(=O)Cc2noc3ccc(Br)cc23)c2ccncc2)cc1 ZINC001456842179 1066704742 /nfs/dbraw/zinc/70/47/42/1066704742.db2.gz RVACATSAAGNBHL-UHFFFAOYSA-N 0 0 452.308 4.770 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492630562 1066705030 /nfs/dbraw/zinc/70/50/30/1066705030.db2.gz WWHATQMXYVWDHN-ZIAGYGMSSA-N 0 0 463.449 4.851 20 0 JJADRN Cc1ccc(C)c(C2CCN(C(=O)C3=NO[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)CC2)c1 ZINC001456849216 1066705112 /nfs/dbraw/zinc/70/51/12/1066705112.db2.gz VASRQPRVISMAAW-SANMLTNESA-N 0 0 455.599 4.555 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC2CC3(C2)COC(C)(C)C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456849322 1066705183 /nfs/dbraw/zinc/70/51/83/1066705183.db2.gz OWVDKWGHHLNJLO-BVJDHZTKSA-N 0 0 450.982 4.631 20 0 JJADRN O=C(NCc1cc2cccnc2cc1Br)c1cc(N2CCCC2=O)ccc1Cl ZINC001446429512 1066705140 /nfs/dbraw/zinc/70/51/40/1066705140.db2.gz FOSBFWGSLNLGDD-UHFFFAOYSA-N 0 0 458.743 4.708 20 0 JJADRN CCSc1ccc(CC(=O)N(CCC(=O)OC)c2cccc(F)c2)c(Br)c1 ZINC001456845385 1066705267 /nfs/dbraw/zinc/70/52/67/1066705267.db2.gz YZWQIWIOKJZVMG-UHFFFAOYSA-N 0 0 454.361 4.839 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2cc3cccnc3cc2Br)cc1 ZINC001446432890 1066705274 /nfs/dbraw/zinc/70/52/74/1066705274.db2.gz MQRSKTUJPIOHTA-UHFFFAOYSA-N 0 0 454.368 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)C1 ZINC001456850893 1066705640 /nfs/dbraw/zinc/70/56/40/1066705640.db2.gz LJXFCLTXPYHDHF-FQEVSTJZSA-N 0 0 458.599 4.682 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)NC2CC3(C2)COC(C)(C)C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456849329 1066705733 /nfs/dbraw/zinc/70/57/33/1066705733.db2.gz OWVDKWGHHLNJLO-RGHFXIIXSA-N 0 0 450.982 4.631 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccccc1Cl ZINC001456851960 1066706119 /nfs/dbraw/zinc/70/61/19/1066706119.db2.gz IBTIFXVGAJACDM-HXUWFJFHSA-N 0 0 453.951 4.554 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001492630872 1066706265 /nfs/dbraw/zinc/70/62/65/1066706265.db2.gz BRADAWHWLZMJDX-QRQLOZEOSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492630720 1066706275 /nfs/dbraw/zinc/70/62/75/1066706275.db2.gz ZODCLJAYLAYZPU-SZBYFXKWSA-N 0 0 480.663 4.844 20 0 JJADRN CN(C)c1cccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 ZINC001456854998 1066706248 /nfs/dbraw/zinc/70/62/48/1066706248.db2.gz RGOLYHRXOCWUCO-UHFFFAOYSA-N 0 0 458.967 4.588 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)c1ccccc1Cl ZINC001456852934 1066706260 /nfs/dbraw/zinc/70/62/60/1066706260.db2.gz ITOSEYJBGIWKQT-WZONZLPQSA-N 0 0 458.002 4.632 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1)c1ccccc1 ZINC001446460118 1066706336 /nfs/dbraw/zinc/70/63/36/1066706336.db2.gz QEAQDVQXFKYWPL-KRWDZBQOSA-N 0 0 452.576 4.982 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492631050 1066706840 /nfs/dbraw/zinc/70/68/40/1066706840.db2.gz FABBKONAGXJHRZ-NSHDSACASA-N 0 0 467.546 4.954 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n1 ZINC001456858610 1066706691 /nfs/dbraw/zinc/70/66/91/1066706691.db2.gz HSOITQPSIPWWHH-INIZCTEOSA-N 0 0 458.584 4.986 20 0 JJADRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001446462483 1066706751 /nfs/dbraw/zinc/70/67/51/1066706751.db2.gz UXNJARPVNCQOAX-ZFWWWQNUSA-N 0 0 452.454 4.591 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cn(-c2ccc(F)cc2C)nn1)c1ccccc1Cl ZINC001456856058 1066706925 /nfs/dbraw/zinc/70/69/25/1066706925.db2.gz VQVAUFXSYKDFGZ-HSZRJFAPSA-N 0 0 450.901 4.896 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)s1 ZINC001492630951 1066706852 /nfs/dbraw/zinc/70/68/52/1066706852.db2.gz CLLXCSRZZTYWOJ-GOSISDBHSA-N 0 0 498.672 4.660 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492631191 1066707228 /nfs/dbraw/zinc/70/72/28/1066707228.db2.gz HOASZNBDNPHHPY-HNNXBMFYSA-N 0 0 461.035 4.774 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631195 1066707360 /nfs/dbraw/zinc/70/73/60/1066707360.db2.gz HQPQDVIOBUSZOL-SJLPKXTDSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492631192 1066707438 /nfs/dbraw/zinc/70/74/38/1066707438.db2.gz HOASZNBDNPHHPY-OAHLLOKOSA-N 0 0 461.035 4.774 20 0 JJADRN COC(=O)c1ccnc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)c1 ZINC001456858818 1066707335 /nfs/dbraw/zinc/70/73/35/1066707335.db2.gz IAXYDIPCAYIKRK-QHCPKHFHSA-N 0 0 453.336 4.519 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)o1 ZINC001456860280 1066707867 /nfs/dbraw/zinc/70/78/67/1066707867.db2.gz HMIHDEWNHADLIY-FOIQADDNSA-N 0 0 459.333 4.764 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)o1 ZINC001456860299 1066707874 /nfs/dbraw/zinc/70/78/74/1066707874.db2.gz HMIHDEWNHADLIY-QRWLVFNGSA-N 0 0 459.333 4.764 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545986427 1066707875 /nfs/dbraw/zinc/70/78/75/1066707875.db2.gz FQKXXWRJPGNHCF-LGKPFJOYSA-N 0 0 499.656 4.789 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986484 1066708027 /nfs/dbraw/zinc/70/80/27/1066708027.db2.gz GKRAYNCUDRGNEN-CTNGQTDRSA-N 0 0 493.574 4.608 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC(C)C)c2)s1 ZINC001492631580 1066708353 /nfs/dbraw/zinc/70/83/53/1066708353.db2.gz NSTJPXNSZPUTNS-QGZVFWFLSA-N 0 0 463.611 4.727 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1cccs1)Oc1ccccc1F ZINC001545986605 1066708509 /nfs/dbraw/zinc/70/85/09/1066708509.db2.gz IALIZCBZEBMFLW-OALUTQOASA-N 0 0 458.603 4.909 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1cccs1)Oc1ccccc1F ZINC001545986606 1066708595 /nfs/dbraw/zinc/70/85/95/1066708595.db2.gz IALIZCBZEBMFLW-RBUKOAKNSA-N 0 0 458.603 4.909 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492631757 1066708904 /nfs/dbraw/zinc/70/89/04/1066708904.db2.gz QQPPOQXUUHBRAS-WMLDXEAASA-N 0 0 457.566 4.910 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492631881 1066708928 /nfs/dbraw/zinc/70/89/28/1066708928.db2.gz SZXCCQGGNJXWDG-AZUAARDMSA-N 0 0 461.676 4.772 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1ccncc1 ZINC001456864122 1066708944 /nfs/dbraw/zinc/70/89/44/1066708944.db2.gz IPWHKFCEJLLHGP-CYBMUJFWSA-N 0 0 458.381 4.733 20 0 JJADRN COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)O1 ZINC001456862635 1066709123 /nfs/dbraw/zinc/70/91/23/1066709123.db2.gz NBYUIVCSHBRPHY-IMSXRSKXSA-N 0 0 474.395 4.524 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492631755 1066708980 /nfs/dbraw/zinc/70/89/80/1066708980.db2.gz QQPPOQXUUHBRAS-PBHICJAKSA-N 0 0 457.566 4.910 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001446482775 1066709134 /nfs/dbraw/zinc/70/91/34/1066709134.db2.gz BWUYHJRFHNSBBW-MOPGFXCFSA-N 0 0 454.420 4.751 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001446482783 1066709165 /nfs/dbraw/zinc/70/91/65/1066709165.db2.gz BWUYHJRFHNSBBW-RTBURBONSA-N 0 0 454.420 4.751 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492631946 1066709413 /nfs/dbraw/zinc/70/94/13/1066709413.db2.gz USAXEMWPXKWJRK-UYAOXDASSA-N 0 0 455.628 4.646 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492631944 1066709475 /nfs/dbraw/zinc/70/94/75/1066709475.db2.gz USAXEMWPXKWJRK-ICSRJNTNSA-N 0 0 455.628 4.646 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)Oc1ccccc1F ZINC001545986835 1066709632 /nfs/dbraw/zinc/70/96/32/1066709632.db2.gz KZOCKZBUXCAYTN-SFTDATJTSA-N 0 0 482.604 4.719 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)Oc1ccccc1F ZINC001545986832 1066709649 /nfs/dbraw/zinc/70/96/49/1066709649.db2.gz KZOCKZBUXCAYTN-LEWJYISDSA-N 0 0 482.604 4.719 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC001446486145 1066709666 /nfs/dbraw/zinc/70/96/66/1066709666.db2.gz JLMAXICEADFSSQ-GMAHTHKFSA-N 0 0 453.583 4.835 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001446483685 1066709679 /nfs/dbraw/zinc/70/96/79/1066709679.db2.gz DHCSIKYNHNPNJF-RXVVDRJESA-N 0 0 456.949 4.912 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492632288 1066709939 /nfs/dbraw/zinc/70/99/39/1066709939.db2.gz AUSMUOWGOMDAPA-MJGOQNOKSA-N 0 0 468.671 4.800 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446490554 1066710077 /nfs/dbraw/zinc/71/00/77/1066710077.db2.gz XJRJOHYWHGNEIO-AEFFLSMTSA-N 0 0 456.739 4.735 20 0 JJADRN COc1ncc(/C=C\C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001456867050 1066710118 /nfs/dbraw/zinc/71/01/18/1066710118.db2.gz YHWNITYOGWGSDJ-DGVDTQEHSA-N 0 0 452.352 4.535 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCc1ccccc1Br)[C@H](O)Cc1ccccc1 ZINC001446488730 1066710105 /nfs/dbraw/zinc/71/01/05/1066710105.db2.gz CDZNEAKMGNTEML-HTAPYJJXSA-N 0 0 454.364 4.750 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446487806 1066710224 /nfs/dbraw/zinc/71/02/24/1066710224.db2.gz PKVNWZGDLBCCSL-PMACEKPBSA-N 0 0 452.389 4.936 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CCc2c(C)noc2C)CCO1 ZINC001546085322 1066710151 /nfs/dbraw/zinc/71/01/51/1066710151.db2.gz JHEODAPSWGWMEP-QFIPXVFZSA-N 0 0 474.403 4.560 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001492632336 1066710393 /nfs/dbraw/zinc/71/03/93/1066710393.db2.gz CDVLKBNPWUVYHI-LBTNJELSSA-N 0 0 496.464 4.940 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492632339 1066710463 /nfs/dbraw/zinc/71/04/63/1066710463.db2.gz CEPSKMVRFKZHLP-MSOLQXFVSA-N 0 0 469.655 4.948 20 0 JJADRN C[C@H](CNC(=O)c1ccc(I)cc1Cl)Oc1cccc(Cl)c1 ZINC001456868622 1066710584 /nfs/dbraw/zinc/71/05/84/1066710584.db2.gz NEFWRAPRQBKNDH-SNVBAGLBSA-N 0 0 450.103 4.795 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)CCO1 ZINC001546085342 1066710670 /nfs/dbraw/zinc/71/06/70/1066710670.db2.gz JSNSEFFXVKHVFR-HXUWFJFHSA-N 0 0 469.449 4.591 20 0 JJADRN Cc1ccc(C(=O)Nc2n[nH]c3c2cccc3Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001446498066 1066710674 /nfs/dbraw/zinc/71/06/74/1066710674.db2.gz DQAIUKIBIOZFPO-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC001446497134 1066710759 /nfs/dbraw/zinc/71/07/59/1066710759.db2.gz CLMVAERFLWBXQC-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)C2)s1 ZINC001492632428 1066710935 /nfs/dbraw/zinc/71/09/35/1066710935.db2.gz FAPMZLBFDRGFJV-RYRKJORJSA-N 0 0 460.648 4.765 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492632474 1066711030 /nfs/dbraw/zinc/71/10/30/1066711030.db2.gz FTHDJXYOBGSMNY-IUODEOHRSA-N 0 0 452.600 4.684 20 0 JJADRN COc1ccc(OC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)cc1OC ZINC001456869596 1066711273 /nfs/dbraw/zinc/71/12/73/1066711273.db2.gz YTXMGAYGGZRUCP-UHFFFAOYSA-N 0 0 454.523 4.793 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001446502794 1066711384 /nfs/dbraw/zinc/71/13/84/1066711384.db2.gz WRFITUWOQOATQC-INIZCTEOSA-N 0 0 457.456 4.774 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001456871962 1066711540 /nfs/dbraw/zinc/71/15/40/1066711540.db2.gz JFZHFONJUHFPJB-RDJZCZTQSA-N 0 0 452.393 4.793 20 0 JJADRN CCCc1c(C(=O)N[C@@H](C)CCc2ccc(C)o2)nnn1Cc1cccc(Br)c1 ZINC001456872297 1066711648 /nfs/dbraw/zinc/71/16/48/1066711648.db2.gz AMSGGYSUDATWBM-HNNXBMFYSA-N 0 0 459.388 4.694 20 0 JJADRN CO[C@]1(C)C[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(C)C ZINC001456871187 1066711688 /nfs/dbraw/zinc/71/16/88/1066711688.db2.gz IIVWUOVENWQDKJ-WZONZLPQSA-N 0 0 458.484 4.887 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001446505930 1066711614 /nfs/dbraw/zinc/71/16/14/1066711614.db2.gz HVTDILKGTQZNLT-INIZCTEOSA-N 0 0 456.974 4.798 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001456876889 1066712228 /nfs/dbraw/zinc/71/22/28/1066712228.db2.gz ZQTIDTOYFFCPAT-DQEYMECFSA-N 0 0 450.623 4.872 20 0 JJADRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)COc1ncccc1Br ZINC001446508696 1066712197 /nfs/dbraw/zinc/71/21/97/1066712197.db2.gz GKTRKISVTXAVGK-ZDUSSCGKSA-N 0 0 453.764 4.680 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)CCCCC(=O)c1ccc(F)cc1 ZINC001446508213 1066712260 /nfs/dbraw/zinc/71/22/60/1066712260.db2.gz CVYAGXSTRVTSBZ-UHFFFAOYSA-N 0 0 451.336 4.700 20 0 JJADRN CCC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCO1 ZINC001456878877 1066712826 /nfs/dbraw/zinc/71/28/26/1066712826.db2.gz GQAWVPFNABMFSL-MZJLILPGSA-N 0 0 458.599 4.601 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492633044 1066713054 /nfs/dbraw/zinc/71/30/54/1066713054.db2.gz SSVXPNRKYRASGJ-YLJYHZDGSA-N 0 0 488.702 4.883 20 0 JJADRN Cc1cnc(C2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCOCC(F)F)CC2)s1 ZINC001492633280 1066713401 /nfs/dbraw/zinc/71/34/01/1066713401.db2.gz XVOYUGHOKAZCMW-INIZCTEOSA-N 0 0 495.571 4.988 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001492633260 1066713620 /nfs/dbraw/zinc/71/36/20/1066713620.db2.gz XPIYOAXZLWZRQV-OALUTQOASA-N 0 0 455.628 4.658 20 0 JJADRN CCCc1ncc(C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)s1 ZINC001456884296 1066713833 /nfs/dbraw/zinc/71/38/33/1066713833.db2.gz KCELNDMVMHKJNV-MZNJEOGPSA-N 0 0 457.596 4.729 20 0 JJADRN CO[C@]1(C)C[C@H](NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1(C)C ZINC001456882748 1066713908 /nfs/dbraw/zinc/71/39/08/1066713908.db2.gz VXLBPIDFPFSBBU-YVEFUNNKSA-N 0 0 451.276 4.526 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)s1 ZINC001492633363 1066714057 /nfs/dbraw/zinc/71/40/57/1066714057.db2.gz YWDHUAKPVKAAKO-QZTJIDSGSA-N 0 0 492.615 4.705 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CCc4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)s1 ZINC001492633352 1066714097 /nfs/dbraw/zinc/71/40/97/1066714097.db2.gz AUBAMMUAJZJMSN-XIFFEERXSA-N 0 0 485.723 4.759 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCC(=O)Nc2c(F)cccc2F)c2ccccc2OC)cc1 ZINC001446520052 1066714726 /nfs/dbraw/zinc/71/47/26/1066714726.db2.gz XZAHAMNCTYFBSL-XMMPIXPASA-N 0 0 454.473 4.607 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)nc3)CC2)s1 ZINC001492633638 1066714853 /nfs/dbraw/zinc/71/48/53/1066714853.db2.gz JJDYICPBZNRYIS-UHFFFAOYSA-N 0 0 453.660 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1O2 ZINC001456889139 1066714889 /nfs/dbraw/zinc/71/48/89/1066714889.db2.gz OGFWRLZIVJDXHZ-CEXJFXJFSA-N 0 0 450.526 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001456890201 1066715354 /nfs/dbraw/zinc/71/53/54/1066715354.db2.gz VEZIOUJRYJIYMX-JOCHJYFZSA-N 0 0 451.567 4.848 20 0 JJADRN O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525030 1066715247 /nfs/dbraw/zinc/71/52/47/1066715247.db2.gz ACUALAZNIKNWPL-AOYPEHQESA-N 0 0 452.957 4.836 20 0 JJADRN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001446524059 1066715489 /nfs/dbraw/zinc/71/54/89/1066715489.db2.gz HJDHSDWMYUGVFI-AEFFLSMTSA-N 0 0 458.274 4.556 20 0 JJADRN CN(C)c1cc(CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001456894356 1066715906 /nfs/dbraw/zinc/71/59/06/1066715906.db2.gz SIAYSLGVCDSELA-QFIPXVFZSA-N 0 0 454.615 4.781 20 0 JJADRN Cc1cnc(C2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCCCO)CC2)s1 ZINC001492634055 1066716088 /nfs/dbraw/zinc/71/60/88/1066716088.db2.gz ZLVSTLCQLNWXOO-NHCUHLMSSA-N 0 0 475.703 4.898 20 0 JJADRN CN(C)c1cc(CNC(=O)CCCCOc2ccc(Br)cc2)c2ccccc2n1 ZINC001456896629 1066716331 /nfs/dbraw/zinc/71/63/31/1066716331.db2.gz XVKSKJOIMOVFFZ-UHFFFAOYSA-N 0 0 456.384 4.929 20 0 JJADRN CC(C)(C(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc2c(c1)OCO2 ZINC001456897737 1066716898 /nfs/dbraw/zinc/71/68/98/1066716898.db2.gz UWXSENVDJXMGBY-UHFFFAOYSA-N 0 0 452.732 4.530 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)CCOC)CCO1 ZINC001546085521 1066717005 /nfs/dbraw/zinc/71/70/05/1066717005.db2.gz MZNBOQHATFEIEQ-JOCHJYFZSA-N 0 0 483.426 4.915 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001456898790 1066717026 /nfs/dbraw/zinc/71/70/26/1066717026.db2.gz UHXKNEKLQXYYHI-INIZCTEOSA-N 0 0 456.589 4.685 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492634594 1066717176 /nfs/dbraw/zinc/71/71/76/1066717176.db2.gz SNNYTBHRFTWKRD-ZIAGYGMSSA-N 0 0 464.433 4.634 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC(N)=O ZINC001492634672 1066717686 /nfs/dbraw/zinc/71/76/86/1066717686.db2.gz VJRCQSZTOQBVMG-AEFFLSMTSA-N 0 0 474.005 4.647 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 ZINC001446536313 1066717579 /nfs/dbraw/zinc/71/75/79/1066717579.db2.gz KSLSDRJPENQECB-LJAQVGFWSA-N 0 0 457.570 4.911 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001446536918 1066717756 /nfs/dbraw/zinc/71/77/56/1066717756.db2.gz LNFLCNXUUJRKAA-RLACGHOJSA-N 0 0 478.633 4.885 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001492635396 1066718130 /nfs/dbraw/zinc/71/81/30/1066718130.db2.gz QJTSNEWBBUWYMA-GOSISDBHSA-N 0 0 471.005 4.638 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001492634945 1066718206 /nfs/dbraw/zinc/71/82/06/1066718206.db2.gz CKHRRZUKQCAETA-IBGZPJMESA-N 0 0 451.615 4.781 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001446539737 1066718387 /nfs/dbraw/zinc/71/83/87/1066718387.db2.gz AFDQQVIWIQUKDH-VXKWHMMOSA-N 0 0 451.592 4.654 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(-c2cccc3cccnc32)cc1)Cc1ccccc1OC ZINC001446539174 1066718408 /nfs/dbraw/zinc/71/84/08/1066718408.db2.gz UFCHYCFYTOZTDJ-QHCPKHFHSA-N 0 0 454.526 4.672 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCSC2)CCO1 ZINC001546085560 1066718526 /nfs/dbraw/zinc/71/85/26/1066718526.db2.gz NOXDNSWWNXMZEL-IFXJQAMLSA-N 0 0 471.490 4.918 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCSC2)CCO1 ZINC001546085562 1066718618 /nfs/dbraw/zinc/71/86/18/1066718618.db2.gz NOXDNSWWNXMZEL-LIRRHRJNSA-N 0 0 471.490 4.918 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1cccc(C)c1Cl ZINC001446541413 1066718884 /nfs/dbraw/zinc/71/88/84/1066718884.db2.gz IACQBGVFGWZSBL-UHFFFAOYSA-N 0 0 452.020 4.682 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492635546 1066718914 /nfs/dbraw/zinc/71/89/14/1066718914.db2.gz UPOSWBFSOMDDBX-OAQYLSRUSA-N 0 0 487.645 4.514 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001492635758 1066718958 /nfs/dbraw/zinc/71/89/58/1066718958.db2.gz ZXYJXEFUPICILG-SJLPKXTDSA-N 0 0 457.619 4.885 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001492635756 1066718968 /nfs/dbraw/zinc/71/89/68/1066718968.db2.gz ZXYJXEFUPICILG-AEFFLSMTSA-N 0 0 457.619 4.885 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001492635768 1066719385 /nfs/dbraw/zinc/71/93/85/1066719385.db2.gz AESIDMIZVXUVFF-AUUYWEPGSA-N 0 0 484.906 4.925 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001492635892 1066719535 /nfs/dbraw/zinc/71/95/35/1066719535.db2.gz DDDSHDYNULVGGH-FQEVSTJZSA-N 0 0 489.414 4.883 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001456910859 1066719661 /nfs/dbraw/zinc/71/96/61/1066719661.db2.gz CLHMBIMATLVRHW-ZJOUEHCJSA-N 0 0 455.396 4.905 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2cc3ccccc3o2)n1 ZINC001492636271 1066719957 /nfs/dbraw/zinc/71/99/57/1066719957.db2.gz AYYVIUUQUPJXDJ-DOTOQJQBSA-N 0 0 466.611 4.929 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC001492636274 1066720049 /nfs/dbraw/zinc/72/00/49/1066720049.db2.gz AYYVIUUQUPJXDJ-RDJZCZTQSA-N 0 0 466.611 4.929 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2nccs2)n1 ZINC001492636182 1066720058 /nfs/dbraw/zinc/72/00/58/1066720058.db2.gz AKXDCPIONOHFMP-LLVKDONJSA-N 0 0 478.445 4.697 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001446551449 1066719982 /nfs/dbraw/zinc/71/99/82/1066719982.db2.gz GSPNAKMMUDDYGS-PWRODBHTSA-N 0 0 450.645 4.528 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCOC[C@H]2C)n1 ZINC001492636398 1066720455 /nfs/dbraw/zinc/72/04/55/1066720455.db2.gz CICFFRGNSUEITQ-GDBMZVCRSA-N 0 0 476.444 4.810 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492636326 1066720636 /nfs/dbraw/zinc/72/06/36/1066720636.db2.gz QDIVUAMMXPJLFA-QHAWAJNXSA-N 0 0 487.645 4.558 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c2ccccc2)cc1 ZINC001456917018 1066720557 /nfs/dbraw/zinc/72/05/57/1066720557.db2.gz CLYNQZSIILQKFV-BDYUSTAISA-N 0 0 455.602 4.950 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001456916654 1066720765 /nfs/dbraw/zinc/72/07/65/1066720765.db2.gz KYVQDJPVVFFVBQ-VGOFRKELSA-N 0 0 451.567 4.591 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H]2C(C)C)n1 ZINC001492636457 1066721008 /nfs/dbraw/zinc/72/10/08/1066721008.db2.gz DCQLEXCIADKBQM-OXJNMPFZSA-N 0 0 473.668 4.542 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)N[C@@](C)(CO)c3cccc(Br)c3)cs2)CC1 ZINC001456917346 1066721201 /nfs/dbraw/zinc/72/12/01/1066721201.db2.gz QKWRTCOUBIJBQY-GXZWQRSESA-N 0 0 451.430 4.766 20 0 JJADRN O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(Sc2cccc(Br)c2)n1 ZINC001446569416 1066721643 /nfs/dbraw/zinc/72/16/43/1066721643.db2.gz NBBMIPMFWFLMTJ-QFIPXVFZSA-N 0 0 455.377 4.559 20 0 JJADRN CC1SC(C(=O)Nc2nc3c(cc(OC(F)(F)F)cc3Br)s2)=NC1=O ZINC001446569068 1066721710 /nfs/dbraw/zinc/72/17/10/1066721710.db2.gz PLMNUZBHJFMLAT-UHFFFAOYSA-N 0 0 454.249 4.680 20 0 JJADRN CC(C)Oc1cc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)ccn1 ZINC001446569034 1066721800 /nfs/dbraw/zinc/72/18/00/1066721800.db2.gz OPBSMWVPRIDFNP-UHFFFAOYSA-N 0 0 455.624 4.587 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492636855 1066722088 /nfs/dbraw/zinc/72/20/88/1066722088.db2.gz GZCMDNBTPKCHGH-SEONNTABSA-N 0 0 469.655 4.811 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001492636865 1066722124 /nfs/dbraw/zinc/72/21/24/1066722124.db2.gz ZCYLWCAIVAKLQW-NRFANRHFSA-N 0 0 470.017 4.521 20 0 JJADRN Cc1coc(C)c1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492636690 1066722153 /nfs/dbraw/zinc/72/21/53/1066722153.db2.gz WAINHCLULHNALK-BCHFMIIMSA-N 0 0 452.599 4.817 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCCC[C@H]2CCCc2ccccc2)c(C)c1 ZINC001446571202 1066722277 /nfs/dbraw/zinc/72/22/77/1066722277.db2.gz XITHBENTGDBBRJ-DEOSSOPVSA-N 0 0 456.652 4.684 20 0 JJADRN O=C(NC[C@@]1(O)CCc2ccccc21)c1ccccc1Sc1ccc(Br)cn1 ZINC001446571153 1066722342 /nfs/dbraw/zinc/72/23/42/1066722342.db2.gz PWFPHHDBSOTINC-QFIPXVFZSA-N 0 0 455.377 4.559 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492636924 1066722597 /nfs/dbraw/zinc/72/25/97/1066722597.db2.gz HUFTUAOIUWKJLJ-ZFWWWQNUSA-N 0 0 493.475 4.618 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CC(=O)NC(C)C)n1 ZINC001492637154 1066723028 /nfs/dbraw/zinc/72/30/28/1066723028.db2.gz LTDLUZIZQAILAE-MRXNPFEDSA-N 0 0 486.711 4.805 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001492637261 1066723069 /nfs/dbraw/zinc/72/30/69/1066723069.db2.gz NPOFSOQZKVLFMQ-GDBMZVCRSA-N 0 0 476.444 4.749 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CC(=O)NC(C)C)n1 ZINC001492637153 1066723094 /nfs/dbraw/zinc/72/30/94/1066723094.db2.gz LTDLUZIZQAILAE-INIZCTEOSA-N 0 0 486.711 4.805 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(F)(F)F)n1 ZINC001492637348 1066723126 /nfs/dbraw/zinc/72/31/26/1066723126.db2.gz PFOZGIYRAPACFO-CQSZACIVSA-N 0 0 466.533 4.714 20 0 JJADRN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001446582250 1066723340 /nfs/dbraw/zinc/72/33/40/1066723340.db2.gz FAJXTJFSYSBIDJ-AWEZNQCLSA-N 0 0 451.360 4.954 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](C)Oc3ccc(F)cc3)[C@@H]2c2cccs2)cc1 ZINC001456925142 1066723524 /nfs/dbraw/zinc/72/35/24/1066723524.db2.gz UGGGQASFMCKBAY-CODAWKSHSA-N 0 0 452.551 4.874 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)Cn2c3ccccc3nc2SC(F)F)c(C)c1 ZINC001446586525 1066723856 /nfs/dbraw/zinc/72/38/56/1066723856.db2.gz SNZYWHVQFPZFRC-IBGZPJMESA-N 0 0 455.534 4.722 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001456926993 1066723979 /nfs/dbraw/zinc/72/39/79/1066723979.db2.gz HCJNHZAMDGTGFB-FCHUYYIVSA-N 0 0 458.647 4.620 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC34CCCC4)c2)cc1 ZINC001456928640 1066724501 /nfs/dbraw/zinc/72/45/01/1066724501.db2.gz WQAFQVIPTOVARI-QHCPKHFHSA-N 0 0 456.608 4.662 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001492637880 1066724506 /nfs/dbraw/zinc/72/45/06/1066724506.db2.gz APSGTSNCOMZHGF-BHYGNILZSA-N 0 0 461.632 4.895 20 0 JJADRN CS[C@@H](C)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001446591446 1066724583 /nfs/dbraw/zinc/72/45/83/1066724583.db2.gz YVXRXQWJSVGPGO-AVRDEDQJSA-N 0 0 458.624 4.569 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC001446588806 1066724606 /nfs/dbraw/zinc/72/46/06/1066724606.db2.gz UULKMNRLXXCDPI-MRXNPFEDSA-N 0 0 454.543 4.977 20 0 JJADRN Cc1cc(CCC(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)ccc1Br ZINC001456930741 1066724999 /nfs/dbraw/zinc/72/49/99/1066724999.db2.gz UHKCRRIELIATMB-LPHOPBHVSA-N 0 0 453.421 4.984 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456932239 1066725016 /nfs/dbraw/zinc/72/50/16/1066725016.db2.gz LHXBYAUMXDVWQK-AZUAARDMSA-N 0 0 452.473 4.509 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001492637964 1066725100 /nfs/dbraw/zinc/72/51/00/1066725100.db2.gz BJBZCIVMPLVRNW-KRWDZBQOSA-N 0 0 499.685 4.688 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCc2cnccn2)n1 ZINC001492637949 1066725119 /nfs/dbraw/zinc/72/51/19/1066725119.db2.gz BBKHGJAHMFQJHH-LJQANCHMSA-N 0 0 477.638 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC001446593002 1066725239 /nfs/dbraw/zinc/72/52/39/1066725239.db2.gz PJQLVMNJWZOLDQ-WXFUMESZSA-N 0 0 450.579 4.600 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)c(F)c1)OC ZINC001545987686 1066725524 /nfs/dbraw/zinc/72/55/24/1066725524.db2.gz VOGLZAIDGDHNSJ-MOPGFXCFSA-N 0 0 493.599 4.732 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC001492638158 1066725533 /nfs/dbraw/zinc/72/55/33/1066725533.db2.gz CLJRZHFHSZEAKA-AZUAARDMSA-N 0 0 480.682 4.925 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC001492638160 1066725548 /nfs/dbraw/zinc/72/55/48/1066725548.db2.gz CLJRZHFHSZEAKA-QUCCMNQESA-N 0 0 480.682 4.925 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545987705 1066725661 /nfs/dbraw/zinc/72/56/61/1066725661.db2.gz VVVVPRLYBGLZIJ-NZQKXSOJSA-N 0 0 460.594 4.769 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC001456936250 1066726056 /nfs/dbraw/zinc/72/60/56/1066726056.db2.gz WSPDFIBREHDFAN-NFQMXDRXSA-N 0 0 454.574 4.586 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCN(c4ccc(Cl)cn4)CC3)nnc2C(C)(C)C)n1 ZINC001492638356 1066725996 /nfs/dbraw/zinc/72/59/96/1066725996.db2.gz GDPGKJMYUZWZEF-HNNXBMFYSA-N 0 0 460.051 4.519 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001446615830 1066726219 /nfs/dbraw/zinc/72/62/19/1066726219.db2.gz NXOOXZFVSFEOOV-IBGZPJMESA-N 0 0 450.922 4.894 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546085685 1066726445 /nfs/dbraw/zinc/72/64/45/1066726445.db2.gz PZBYLJAGHGSONH-HHHXNRCGSA-N 0 0 495.624 4.588 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)Cc1ccccc1 ZINC001446622846 1066726696 /nfs/dbraw/zinc/72/66/96/1066726696.db2.gz RVSCVEVHEDBAEQ-PMACEKPBSA-N 0 0 458.986 4.846 20 0 JJADRN CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456941090 1066726909 /nfs/dbraw/zinc/72/69/09/1066726909.db2.gz PNFRSUGLBUDULN-AWEZNQCLSA-N 0 0 454.445 4.927 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)CC1CCCC1 ZINC001456941517 1066727125 /nfs/dbraw/zinc/72/71/25/1066727125.db2.gz YDMRCJNNJQZSCW-HXUWFJFHSA-N 0 0 451.592 4.759 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)n1 ZINC001492638751 1066727021 /nfs/dbraw/zinc/72/70/21/1066727021.db2.gz IWTJSHFBFPAPJA-MJGOQNOKSA-N 0 0 492.690 4.637 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OC)c3ccc4ccccc4c3)[nH]n2)c1C ZINC001446637270 1066727273 /nfs/dbraw/zinc/72/72/73/1066727273.db2.gz XHNYDCRIMJDZSH-OWJWWREXSA-N 0 0 459.550 4.658 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@H]1c1ccccc1 ZINC001456944476 1066727446 /nfs/dbraw/zinc/72/74/46/1066727446.db2.gz ZRMKJUDEKIMQIE-GDBMZVCRSA-N 0 0 459.775 4.949 20 0 JJADRN O=C(N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001456944005 1066727516 /nfs/dbraw/zinc/72/75/16/1066727516.db2.gz ALIUUOMWTXWUQL-CTYIDZIISA-N 0 0 459.369 4.524 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(F)cccc2Cl)CCO1 ZINC001546085729 1066727594 /nfs/dbraw/zinc/72/75/94/1066727594.db2.gz RCNXVYWREKGPLK-FQEVSTJZSA-N 0 0 482.785 4.882 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC001456946476 1066727670 /nfs/dbraw/zinc/72/76/70/1066727670.db2.gz MYKNGUZFGHFVIT-OAHLLOKOSA-N 0 0 459.468 4.583 20 0 JJADRN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1Nc1ccc(C(C)=O)cc1 ZINC001446640873 1066727554 /nfs/dbraw/zinc/72/75/54/1066727554.db2.gz IEVHUZJHRUCUNM-FQEVSTJZSA-N 0 0 450.560 4.615 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)n1 ZINC001492638891 1066727640 /nfs/dbraw/zinc/72/76/40/1066727640.db2.gz LBEZUBZOZXQURO-MJGOQNOKSA-N 0 0 469.655 4.948 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001446638186 1066727838 /nfs/dbraw/zinc/72/78/38/1066727838.db2.gz YRMVSSRXFGASRD-JYAXHDLFSA-N 0 0 464.488 4.889 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C)[C@H]2C)n1 ZINC001492639114 1066728063 /nfs/dbraw/zinc/72/80/63/1066728063.db2.gz NPSKFRXONJBXFV-BHIYHBOVSA-N 0 0 457.669 4.798 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546085744 1066728145 /nfs/dbraw/zinc/72/81/45/1066728145.db2.gz RJZZJCQKMBFDCU-XMMPIXPASA-N 0 0 457.022 4.813 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(F)cc2)n1 ZINC001492638991 1066728269 /nfs/dbraw/zinc/72/82/69/1066728269.db2.gz KZFAVYZLPZOGQP-INIZCTEOSA-N 0 0 452.559 4.563 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001446643033 1066728208 /nfs/dbraw/zinc/72/82/08/1066728208.db2.gz QMSBWKPRTPISCM-ANRSDYALSA-N 0 0 455.210 4.810 20 0 JJADRN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001446645281 1066728249 /nfs/dbraw/zinc/72/82/49/1066728249.db2.gz VATRLRCFYLGMFM-HSZRJFAPSA-N 0 0 452.341 4.918 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)n1 ZINC001492639391 1066728635 /nfs/dbraw/zinc/72/86/35/1066728635.db2.gz OFSMOQOLCKCXKX-SJLPKXTDSA-N 0 0 476.046 4.909 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492639413 1066728653 /nfs/dbraw/zinc/72/86/53/1066728653.db2.gz PXXAKDQQKBMSNU-WMLDXEAASA-N 0 0 450.534 4.611 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC001456951060 1066728683 /nfs/dbraw/zinc/72/86/83/1066728683.db2.gz LGNIDFJFZKVFTI-SFHVURJKSA-N 0 0 458.493 4.520 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)nn1-c1ccc(Br)cc1 ZINC001456950927 1066728721 /nfs/dbraw/zinc/72/87/21/1066728721.db2.gz KICBUZPMYZWVNV-MRXNPFEDSA-N 0 0 450.340 4.620 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1csc2ccccc21 ZINC001456951967 1066728749 /nfs/dbraw/zinc/72/87/49/1066728749.db2.gz LRMXFWFXXIJUAY-OAHLLOKOSA-N 0 0 456.614 4.932 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492639411 1066728662 /nfs/dbraw/zinc/72/86/62/1066728662.db2.gz PXXAKDQQKBMSNU-PBHICJAKSA-N 0 0 450.534 4.611 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492639412 1066728680 /nfs/dbraw/zinc/72/86/80/1066728680.db2.gz PXXAKDQQKBMSNU-RHSMWYFYSA-N 0 0 450.534 4.611 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)Oc1ccccc1F ZINC001545987919 1066728837 /nfs/dbraw/zinc/72/88/37/1066728837.db2.gz YRGGLBLMYNEXFH-CVDCTZTESA-N 0 0 470.593 4.503 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@H](C)Oc2ccccc2C)ccc1OCc1c(C)noc1C ZINC001456956489 1066729200 /nfs/dbraw/zinc/72/92/00/1066729200.db2.gz FMBJUIDLBDXWLE-LVWOJMJRSA-N 0 0 450.535 4.784 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(Cc3ccco3)C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492639621 1066729146 /nfs/dbraw/zinc/72/91/46/1066729146.db2.gz RLZLYWWWRFWXPT-HOYKHHGWSA-N 0 0 473.643 4.895 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCCS1 ZINC001446651751 1066729436 /nfs/dbraw/zinc/72/94/36/1066729436.db2.gz MIRQEPDQPKNACJ-RBUKOAKNSA-N 0 0 452.620 4.953 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001456958556 1066729788 /nfs/dbraw/zinc/72/97/88/1066729788.db2.gz JXNYJKQJFDULRE-LJQANCHMSA-N 0 0 456.340 4.514 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446659363 1066729768 /nfs/dbraw/zinc/72/97/68/1066729768.db2.gz LDIDSFFZPVWQHJ-UXHICEINSA-N 0 0 452.433 4.698 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1nc(C2CCCCC2)no1 ZINC001456960860 1066730156 /nfs/dbraw/zinc/73/01/56/1066730156.db2.gz LWOSXCPODCRMRS-QGZVFWFLSA-N 0 0 453.564 4.582 20 0 JJADRN CN(C[C@@H]1CC=CCC1)C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446659490 1066730305 /nfs/dbraw/zinc/73/03/05/1066730305.db2.gz WPLIQADMAKJHHB-XXBNENTESA-N 0 0 455.396 4.664 20 0 JJADRN Cc1sc(Br)c(C(=O)Nc2ncc(I)cc2C)c1C ZINC001456961431 1066730260 /nfs/dbraw/zinc/73/02/60/1066730260.db2.gz OXYQAEODPCEGSE-UHFFFAOYSA-N 0 0 451.127 4.688 20 0 JJADRN Cc1cc(I)cnc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC001456961555 1066730325 /nfs/dbraw/zinc/73/03/25/1066730325.db2.gz PQVAHFUNNVQOSW-UHFFFAOYSA-N 0 0 452.679 4.819 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C ZINC001545987975 1066730370 /nfs/dbraw/zinc/73/03/70/1066730370.db2.gz ZMBCLGQLVISHJD-UXHICEINSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)n1 ZINC001492640219 1066730843 /nfs/dbraw/zinc/73/08/43/1066730843.db2.gz XKECSIFFSJAHJV-FXAWDEMLSA-N 0 0 454.644 4.616 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492640273 1066730858 /nfs/dbraw/zinc/73/08/58/1066730858.db2.gz YLMSANNPSAIUGQ-GHTZIAJQSA-N 0 0 469.655 4.720 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(Cl)nc2)CCO1 ZINC001546085825 1066730871 /nfs/dbraw/zinc/73/08/71/1066730871.db2.gz SYQIGQWCUOSDKK-JOCHJYFZSA-N 0 0 463.916 4.649 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC001446682217 1066730949 /nfs/dbraw/zinc/73/09/49/1066730949.db2.gz RKFZQXFSMBETRR-UHFFFAOYSA-N 0 0 452.502 4.794 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(C)CC(=O)Nc3c(C)cccc3C)nnc2C(C)(C)C)n1 ZINC001492640293 1066731124 /nfs/dbraw/zinc/73/11/24/1066731124.db2.gz YTARKOHRCXLCTC-KRWDZBQOSA-N 0 0 454.644 4.836 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)n1 ZINC001492640288 1066731223 /nfs/dbraw/zinc/73/12/23/1066731223.db2.gz YPPNJLMWIVZYNY-VOIUYBSRSA-N 0 0 474.074 4.982 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001456965010 1066731345 /nfs/dbraw/zinc/73/13/45/1066731345.db2.gz WFNUNGCWRFOGJT-RTWAWAEBSA-N 0 0 458.599 4.843 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC001446696690 1066731309 /nfs/dbraw/zinc/73/13/09/1066731309.db2.gz IYYGSHOTBQPHDU-KQMYVOCESA-N 0 0 481.431 4.566 20 0 JJADRN CCC(C)(C)c1ccc(OCC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)c(C(C)(C)CC)c1 ZINC001456966668 1066731726 /nfs/dbraw/zinc/73/17/26/1066731726.db2.gz JRZNCVBTDRSYRC-UHFFFAOYSA-N 0 0 455.599 4.576 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492640517 1066731766 /nfs/dbraw/zinc/73/17/66/1066731766.db2.gz XXEQGRIMBGINAR-BHIYHBOVSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCOC(F)F)CCO2)n1 ZINC001492640672 1066732238 /nfs/dbraw/zinc/73/22/38/1066732238.db2.gz AMLCTXYVZCQRJQ-MAUKXSAKSA-N 0 0 497.543 4.529 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCOC(F)F)CCO2)n1 ZINC001492640674 1066732341 /nfs/dbraw/zinc/73/23/41/1066732341.db2.gz AMLCTXYVZCQRJQ-YJBOKZPZSA-N 0 0 497.543 4.529 20 0 JJADRN C[C@]12CCC(=O)N1[C@@H](C(=O)Oc1cccc(OCc3cccc(C(F)(F)F)c3)c1)CS2 ZINC001456968732 1066732209 /nfs/dbraw/zinc/73/22/09/1066732209.db2.gz ZGLVAEYTWILBNP-NQIIRXRSSA-N 0 0 451.466 4.644 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3CCSCc3ccccc3)CCO2)n1 ZINC001492640804 1066732768 /nfs/dbraw/zinc/73/27/68/1066732768.db2.gz DOBFYZFWOKYLLS-LJQANCHMSA-N 0 0 457.669 4.852 20 0 JJADRN CCc1ccc(CCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)cc1 ZINC001446711293 1066733121 /nfs/dbraw/zinc/73/31/21/1066733121.db2.gz MQJGDOSHNPJIAM-UHFFFAOYSA-N 0 0 458.967 4.980 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)C)n3CCCCN(C)c3ccccc3)CCO2)n1 ZINC001492641099 1066733264 /nfs/dbraw/zinc/73/32/64/1066733264.db2.gz JHWKBRWPESSEOX-JOCHJYFZSA-N 0 0 468.671 4.736 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CCO2)n1 ZINC001492640906 1066733288 /nfs/dbraw/zinc/73/32/88/1066733288.db2.gz GWQBCMVRXLONGG-YADARESESA-N 0 0 490.073 4.771 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3Cl)CCO2)n1 ZINC001492641092 1066733426 /nfs/dbraw/zinc/73/34/26/1066733426.db2.gz JBQXAOYWALEYIN-LJQANCHMSA-N 0 0 476.046 4.942 20 0 JJADRN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC001456974258 1066733407 /nfs/dbraw/zinc/73/34/07/1066733407.db2.gz AILQVDWDYJLSFJ-QGZVFWFLSA-N 0 0 453.004 4.582 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)C1 ZINC001456977292 1066733826 /nfs/dbraw/zinc/73/38/26/1066733826.db2.gz PPVQTDFMYKHEDK-QGZVFWFLSA-N 0 0 454.571 4.522 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC3CCC(C(F)(F)F)CC3)C2)n1 ZINC001492641137 1066733831 /nfs/dbraw/zinc/73/38/31/1066733831.db2.gz CERKIGMKJGEQTJ-LXPRWKDFSA-N 0 0 498.619 4.934 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCCOCC(F)F)C2)n1 ZINC001492641184 1066733891 /nfs/dbraw/zinc/73/38/91/1066733891.db2.gz CVRAOVDMIMEUPK-SFHVURJKSA-N 0 0 479.572 4.829 20 0 JJADRN Cc1ccccc1NCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC001446718435 1066734065 /nfs/dbraw/zinc/73/40/65/1066734065.db2.gz YYUYRJBNKZERDO-UHFFFAOYSA-N 0 0 459.955 4.596 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641274 1066734266 /nfs/dbraw/zinc/73/42/66/1066734266.db2.gz KPRBACGNXKMVMP-SQJMNOBHSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3nc(C(C)(C)C)cs3)CCO2)n1 ZINC001492641667 1066734873 /nfs/dbraw/zinc/73/48/73/1066734873.db2.gz NOZLRGYWQUBBAH-HNNXBMFYSA-N 0 0 460.673 4.721 20 0 JJADRN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001456980898 1066734905 /nfs/dbraw/zinc/73/49/05/1066734905.db2.gz OXITXDGQSCIQCX-QAPCUYQASA-N 0 0 459.414 4.656 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CCC(C)(C)O)CCO2)n1 ZINC001492642283 1066735765 /nfs/dbraw/zinc/73/57/65/1066735765.db2.gz UMFMNGITJKTOIA-CTNGQTDRSA-N 0 0 485.654 4.539 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC001456983471 1066736083 /nfs/dbraw/zinc/73/60/83/1066736083.db2.gz ZHLZKKXMQAUBSW-UHFFFAOYSA-N 0 0 450.560 4.782 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCCC(F)(F)F)C2)n1 ZINC001492642375 1066736416 /nfs/dbraw/zinc/73/64/16/1066736416.db2.gz OLWWHZRKQVHOEV-UTKZUKDTSA-N 0 0 487.592 4.810 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(Br)s3)CCO2)n1 ZINC001492642534 1066736478 /nfs/dbraw/zinc/73/64/78/1066736478.db2.gz WTBOIZJAFUPYOR-OAHLLOKOSA-N 0 0 496.500 4.985 20 0 JJADRN Cc1cc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cnc1Br ZINC001446755946 1066736489 /nfs/dbraw/zinc/73/64/89/1066736489.db2.gz HUSPLROWLGBKFV-UHFFFAOYSA-N 0 0 451.390 4.917 20 0 JJADRN CC(C)c1c(C(=O)N2CC[C@@H](COc3ccccc3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001446754725 1066736491 /nfs/dbraw/zinc/73/64/91/1066736491.db2.gz OLKKSVSBFUILKW-QGZVFWFLSA-N 0 0 458.484 4.951 20 0 JJADRN CCCc1c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cnn1-c1cccc(F)c1 ZINC001446757276 1066736495 /nfs/dbraw/zinc/73/64/95/1066736495.db2.gz ROWAPRXKTZZDKM-UHFFFAOYSA-N 0 0 455.433 4.510 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CCc4ccccc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492642899 1066736760 /nfs/dbraw/zinc/73/67/60/1066736760.db2.gz VGFBBTLHAKNNCI-FQEVSTJZSA-N 0 0 492.615 4.706 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001456989288 1066736909 /nfs/dbraw/zinc/73/69/09/1066736909.db2.gz KZEBMVIIFVIENB-INIZCTEOSA-N 0 0 450.373 4.572 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456989559 1066737019 /nfs/dbraw/zinc/73/70/19/1066737019.db2.gz FVWCXAPHXVEGMM-IERDGZPVSA-N 0 0 451.571 4.997 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2)n1 ZINC001492643643 1066737319 /nfs/dbraw/zinc/73/73/19/1066737319.db2.gz PLKRAEGOGUCFGT-LJQANCHMSA-N 0 0 474.675 4.781 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)cc1 ZINC001446767259 1066737609 /nfs/dbraw/zinc/73/76/09/1066737609.db2.gz UCHJQOMMVZXOQA-UHFFFAOYSA-N 0 0 459.518 4.990 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001456992999 1066737707 /nfs/dbraw/zinc/73/77/07/1066737707.db2.gz WKSYODXIQBMSCO-MBSDFSHPSA-N 0 0 451.636 4.618 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492642973 1066737878 /nfs/dbraw/zinc/73/78/78/1066737878.db2.gz WKDNWTBYZYQIRN-REHUZNOOSA-N 0 0 461.676 4.856 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC001446776680 1066737971 /nfs/dbraw/zinc/73/79/71/1066737971.db2.gz CRGYDBZHUNXJMH-HXUWFJFHSA-N 0 0 457.412 4.925 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC001492643078 1066738230 /nfs/dbraw/zinc/73/82/30/1066738230.db2.gz YMDNXRXOHZSZCN-LJQANCHMSA-N 0 0 466.655 4.980 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC4CC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC001492643069 1066738328 /nfs/dbraw/zinc/73/83/28/1066738328.db2.gz YKKGNYBXXTVCNZ-VQTJNVASSA-N 0 0 488.702 4.929 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 ZINC001446781734 1066738540 /nfs/dbraw/zinc/73/85/40/1066738540.db2.gz IQOYWAGQBAJPRY-XNMGPUDCSA-N 0 0 458.558 4.581 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3Cc4ccccc4[C@@H]3CC)c2)cc1 ZINC001456996995 1066738495 /nfs/dbraw/zinc/73/84/95/1066738495.db2.gz FLEORDFOGZDERY-DEOSSOPVSA-N 0 0 450.560 4.993 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)Cn2ccc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446786185 1066739102 /nfs/dbraw/zinc/73/91/02/1066739102.db2.gz RCKFIVUKMHQBGO-QVJSAIJNSA-N 0 0 455.961 4.937 20 0 JJADRN Cc1csc(CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CCSCC2)n1 ZINC001492643305 1066739242 /nfs/dbraw/zinc/73/92/42/1066739242.db2.gz FFOAYOOBALQORQ-UHFFFAOYSA-N 0 0 464.060 4.852 20 0 JJADRN O=C(NC[C@@H]1CCC=CCCC1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001457004583 1066739641 /nfs/dbraw/zinc/73/96/41/1066739641.db2.gz OEFVEDMBODNPCR-OXQOHEQNSA-N 0 0 451.380 4.836 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC001446789164 1066739592 /nfs/dbraw/zinc/73/95/92/1066739592.db2.gz RVMDPMCKLYPGBY-NZQKXSOJSA-N 0 0 456.464 4.633 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCN(C(=O)CC3CCCCC3)CC2)n1 ZINC001492643495 1066739747 /nfs/dbraw/zinc/73/97/47/1066739747.db2.gz KNRIMPVVDLKNQX-UHFFFAOYSA-N 0 0 486.730 4.883 20 0 JJADRN CCOC(=O)[C@H](C)N(C)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 ZINC001457007333 1066740001 /nfs/dbraw/zinc/74/00/01/1066740001.db2.gz DLCRIHRCGMWZQQ-INIZCTEOSA-N 0 0 453.564 4.515 20 0 JJADRN O=C([C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446789832 1066740015 /nfs/dbraw/zinc/74/00/15/1066740015.db2.gz FPOCYXRONCYDNI-UYAOXDASSA-N 0 0 458.961 4.503 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001457007717 1066740050 /nfs/dbraw/zinc/74/00/50/1066740050.db2.gz IWDZNPBWIJAALV-WTOYTKOKSA-N 0 0 453.583 4.818 20 0 JJADRN Cc1csc(CCCCn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)n1 ZINC001492643762 1066740192 /nfs/dbraw/zinc/74/01/92/1066740192.db2.gz QKKOAJWDSAEXFR-XMMPIXPASA-N 0 0 457.619 4.600 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC001457009309 1066740565 /nfs/dbraw/zinc/74/05/65/1066740565.db2.gz MRDIDLBAGNSZDB-PPHZAIPVSA-N 0 0 452.595 4.726 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001457009295 1066740582 /nfs/dbraw/zinc/74/05/82/1066740582.db2.gz KGDIDUXFWXDIJQ-MGPUTAFESA-N 0 0 450.988 4.639 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446792106 1066740621 /nfs/dbraw/zinc/74/06/21/1066740621.db2.gz KBNLSEIPRGBDMN-ZIAGYGMSSA-N 0 0 453.377 4.564 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001446792097 1066740636 /nfs/dbraw/zinc/74/06/36/1066740636.db2.gz KBNLSEIPRGBDMN-UONOGXRCSA-N 0 0 453.377 4.564 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(COc4ccc(Cl)cc4)n3CCC(C)(F)F)CCO2)n1 ZINC001492643905 1066740613 /nfs/dbraw/zinc/74/06/13/1066740613.db2.gz DLDFQENGBXZGNC-KRWDZBQOSA-N 0 0 483.972 4.899 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CCc4ccccc4)n3CCSC(C)C)CCO2)n1 ZINC001492643960 1066740626 /nfs/dbraw/zinc/74/06/26/1066740626.db2.gz DZKDWMPTISAHRL-HXUWFJFHSA-N 0 0 457.669 4.548 20 0 JJADRN CC[C@@]1(C)COCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001446792610 1066740718 /nfs/dbraw/zinc/74/07/18/1066740718.db2.gz JBDQMKNNEPLWMH-VWLOTQADSA-N 0 0 458.624 4.671 20 0 JJADRN COc1ccc([C@@H](NC(=O)C/C=C/c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011152 1066741696 /nfs/dbraw/zinc/74/16/96/1066741696.db2.gz DOTRMGSQSFYXAG-CMEKQAILSA-N 0 0 453.535 4.547 20 0 JJADRN Cc1ccncc1[C@H](C)NC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1 ZINC001446805076 1066742287 /nfs/dbraw/zinc/74/22/87/1066742287.db2.gz FJFOOSONVLAEPS-AWEZNQCLSA-N 0 0 458.381 4.886 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC001492644370 1066742270 /nfs/dbraw/zinc/74/22/70/1066742270.db2.gz LPBJVJGFQNTWFS-UHFFFAOYSA-N 0 0 495.697 4.671 20 0 JJADRN Cc1cc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cnc1N1CCCC[C@H]1C ZINC001446804163 1066742387 /nfs/dbraw/zinc/74/23/87/1066742387.db2.gz XEVAFEACXHCTON-VMTJQQBPSA-N 0 0 455.562 4.573 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1cccc(Oc2ccccn2)c1 ZINC001457013807 1066742830 /nfs/dbraw/zinc/74/28/30/1066742830.db2.gz RQJZBDQCYMETOC-UHFFFAOYSA-N 0 0 458.287 4.534 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccn3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)n1 ZINC001492644719 1066743288 /nfs/dbraw/zinc/74/32/88/1066743288.db2.gz XOTUTJWNJPYMCG-MGBGTMOVSA-N 0 0 480.663 4.502 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)c1 ZINC001492644837 1066743742 /nfs/dbraw/zinc/74/37/42/1066743742.db2.gz BUZZIBMJEVHLTO-HXUWFJFHSA-N 0 0 488.057 4.827 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@@H](C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492644850 1066743943 /nfs/dbraw/zinc/74/39/43/1066743943.db2.gz CBCDQGWHGJCWBU-NTKDMRAZSA-N 0 0 461.676 4.733 20 0 JJADRN CC(C)(CNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)S(C)(=O)=O ZINC001457017630 1066744306 /nfs/dbraw/zinc/74/43/06/1066744306.db2.gz GBUPCDBDFKGFAD-UHFFFAOYSA-N 0 0 451.997 4.932 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492644921 1066744494 /nfs/dbraw/zinc/74/44/94/1066744494.db2.gz FRQQFRXFFHPYJA-PXDATVDWSA-N 0 0 475.703 4.979 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncccc2C)c1 ZINC001492645072 1066744820 /nfs/dbraw/zinc/74/48/20/1066744820.db2.gz JXALVWXKFJCIAJ-UHFFFAOYSA-N 0 0 460.607 4.905 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C)C2)n1 ZINC001492645009 1066744866 /nfs/dbraw/zinc/74/48/66/1066744866.db2.gz HZCXUDLYXMHBCJ-QWFCFKBJSA-N 0 0 463.717 4.926 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Sc4ccccc4Cl)nn3)C2=O)cc1 ZINC001457019407 1066744869 /nfs/dbraw/zinc/74/48/69/1066744869.db2.gz WVDPHBRFBLJFLX-IBGZPJMESA-N 0 0 452.967 4.515 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001492645236 1066745426 /nfs/dbraw/zinc/74/54/26/1066745426.db2.gz OXFAYZGJVNXVMK-GHTZIAJQSA-N 0 0 482.654 4.773 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCc2ccco2)c1 ZINC001492645159 1066745493 /nfs/dbraw/zinc/74/54/93/1066745493.db2.gz MYDLHLCUBYLBSO-FQEVSTJZSA-N 0 0 493.633 4.951 20 0 JJADRN CCN(CC)C(=O)CCCC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC001446826214 1066745638 /nfs/dbraw/zinc/74/56/38/1066745638.db2.gz XORDKXCAZBRVMC-QHCPKHFHSA-N 0 0 450.501 4.958 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCNc1cccc(Br)c1 ZINC001446834122 1066746181 /nfs/dbraw/zinc/74/61/81/1066746181.db2.gz GMMLQEFBTZMLMF-INIZCTEOSA-N 0 0 456.425 4.554 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc2nc1C(F)(F)F ZINC001457024886 1066747140 /nfs/dbraw/zinc/74/71/40/1066747140.db2.gz AJDKLRNUBVSLOY-OAHLLOKOSA-N 0 0 454.493 4.717 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001446845071 1066747216 /nfs/dbraw/zinc/74/72/16/1066747216.db2.gz HTWSOIOFVOZXLY-JOCHJYFZSA-N 0 0 458.599 4.649 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2c(C)noc2C)c1 ZINC001492645801 1066747440 /nfs/dbraw/zinc/74/74/40/1066747440.db2.gz JLSPJUQAPKCVSQ-OSPHWJPCSA-N 0 0 473.643 4.734 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457026768 1066747596 /nfs/dbraw/zinc/74/75/96/1066747596.db2.gz XJKRKCQFVOKBNF-IBGZPJMESA-N 0 0 456.989 4.983 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446847721 1066747860 /nfs/dbraw/zinc/74/78/60/1066747860.db2.gz VXUGKMXOFQPPSC-VXKWHMMOSA-N 0 0 454.615 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)nc2C1 ZINC001446847534 1066747955 /nfs/dbraw/zinc/74/79/55/1066747955.db2.gz LJJXJTRFKYQBLE-OAQYLSRUSA-N 0 0 451.542 4.880 20 0 JJADRN C[C@@](O)(C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(F)c(Br)c1 ZINC001446848586 1066748325 /nfs/dbraw/zinc/74/83/25/1066748325.db2.gz MBIYOKKRXHMPEQ-NRFANRHFSA-N 0 0 456.271 4.638 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)c1 ZINC001492646022 1066748534 /nfs/dbraw/zinc/74/85/34/1066748534.db2.gz RVSDMTXVLFQVKB-AREMUKBSSA-N 0 0 499.681 4.946 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2CSc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001457030022 1066748493 /nfs/dbraw/zinc/74/84/93/1066748493.db2.gz QOTQTOHPFPMTLJ-RBBKRZOGSA-N 0 0 458.004 4.839 20 0 JJADRN COC(=O)c1cc(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)c[nH]1 ZINC001446850075 1066748529 /nfs/dbraw/zinc/74/85/29/1066748529.db2.gz SBJHLKHOKHGNKV-LJQANCHMSA-N 0 0 450.388 4.509 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)CC2 ZINC001446858938 1066748981 /nfs/dbraw/zinc/74/89/81/1066748981.db2.gz XNKVVGYXIWKRAO-GOSISDBHSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001492646140 1066749055 /nfs/dbraw/zinc/74/90/55/1066749055.db2.gz WZCNJEQAYAPHRN-RUZDIDTESA-N 0 0 451.640 4.727 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457033714 1066749016 /nfs/dbraw/zinc/74/90/16/1066749016.db2.gz ZOFWCMMUYBQZBV-JBRSBNLGSA-N 0 0 453.991 4.927 20 0 JJADRN CCC(CC)(CC(=O)OC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001457031820 1066749074 /nfs/dbraw/zinc/74/90/74/1066749074.db2.gz UWKRDCRHIAMNHS-UHFFFAOYSA-N 0 0 453.970 4.973 20 0 JJADRN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1O ZINC001446860838 1066749397 /nfs/dbraw/zinc/74/93/97/1066749397.db2.gz MDUXSERJQBVCFK-UHFFFAOYSA-N 0 0 450.495 4.518 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001492646411 1066749570 /nfs/dbraw/zinc/74/95/70/1066749570.db2.gz GVCHKMRJEWIXOM-SBHAEUEKSA-N 0 0 489.686 4.824 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001446868583 1066749857 /nfs/dbraw/zinc/74/98/57/1066749857.db2.gz HZEGANCPCMKKKH-HOTGVXAUSA-N 0 0 451.398 4.976 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC001457037822 1066749898 /nfs/dbraw/zinc/74/98/98/1066749898.db2.gz WAXCDKWOHLBMLI-LJQANCHMSA-N 0 0 450.539 4.522 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001492646529 1066749926 /nfs/dbraw/zinc/74/99/26/1066749926.db2.gz KURBGONUEOMFOX-RBUKOAKNSA-N 0 0 475.659 4.578 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492646572 1066749965 /nfs/dbraw/zinc/74/99/65/1066749965.db2.gz LYEKRMJJVSPHCN-QGZVFWFLSA-N 0 0 464.561 4.539 20 0 JJADRN CC1(C)CN(C(=O)c2ccc3ncc(I)n3c2)c2cccc(Cl)c21 ZINC001457037040 1066750013 /nfs/dbraw/zinc/75/00/13/1066750013.db2.gz KBVKVHIHPKZNAO-UHFFFAOYSA-N 0 0 451.695 4.530 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)Nc3cc(Cl)cc4c[nH]nc43)C2)C1 ZINC001457040032 1066750575 /nfs/dbraw/zinc/75/05/75/1066750575.db2.gz PUZAQTCEDLZMAN-DYDLGINISA-N 0 0 450.992 4.724 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001457042777 1066750994 /nfs/dbraw/zinc/75/09/94/1066750994.db2.gz PYUWCZYSOGAZQS-UHFFFAOYSA-N 0 0 459.275 4.901 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1(CC)CC ZINC001457047931 1066751033 /nfs/dbraw/zinc/75/10/33/1066751033.db2.gz CSPMWPWLZQBWAT-VQTJNVASSA-N 0 0 454.533 4.658 20 0 JJADRN CCc1cnccc1[C@H](C)NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446875153 1066751359 /nfs/dbraw/zinc/75/13/59/1066751359.db2.gz UKHMVZVGMHAOHQ-MOPGFXCFSA-N 0 0 457.574 4.996 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC001446876765 1066751385 /nfs/dbraw/zinc/75/13/85/1066751385.db2.gz XCUFWJRRRFICEA-MOPGFXCFSA-N 0 0 459.633 4.520 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2cccc(F)c2)c1 ZINC001492647222 1066751491 /nfs/dbraw/zinc/75/14/91/1066751491.db2.gz HIAFTGWXLKNMKX-SFHVURJKSA-N 0 0 451.571 4.877 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001492647449 1066751496 /nfs/dbraw/zinc/75/14/96/1066751496.db2.gz MGZRNAHVMVJSBG-UHFFFAOYSA-N 0 0 494.665 4.837 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001492647259 1066751516 /nfs/dbraw/zinc/75/15/16/1066751516.db2.gz HYBXNPFYURLKQR-HXUWFJFHSA-N 0 0 496.681 4.917 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)C1(CC)CC ZINC001457054284 1066751562 /nfs/dbraw/zinc/75/15/62/1066751562.db2.gz RHFKUGCZZPDTEB-QZTJIDSGSA-N 0 0 451.036 4.811 20 0 JJADRN Cc1csc(CN(C)c2nnc(CC(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC001492647539 1066751921 /nfs/dbraw/zinc/75/19/21/1066751921.db2.gz OQBHLMBLFOWOCA-SFHVURJKSA-N 0 0 473.609 4.526 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)c1 ZINC001492647659 1066751968 /nfs/dbraw/zinc/75/19/68/1066751968.db2.gz SIVPNFBFYJAGCT-UHFFFAOYSA-N 0 0 455.628 4.708 20 0 JJADRN Cc1ccc(CCC(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001457057335 1066752179 /nfs/dbraw/zinc/75/21/79/1066752179.db2.gz CJXRMPCUOKLOKF-UHFFFAOYSA-N 0 0 453.421 4.984 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c2ccc(F)cc2)c1 ZINC001457056170 1066752198 /nfs/dbraw/zinc/75/21/98/1066752198.db2.gz HKWUAWXMHICGTA-YTFSRNRJSA-N 0 0 457.954 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 ZINC001457058697 1066752208 /nfs/dbraw/zinc/75/22/08/1066752208.db2.gz ABFBBOLUZKRCBB-ILXRZTDVSA-N 0 0 451.386 4.934 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)C2CC2)c1 ZINC001492647882 1066752407 /nfs/dbraw/zinc/75/24/07/1066752407.db2.gz ZQCAUUFQLWHASC-VWLOTQADSA-N 0 0 489.686 4.560 20 0 JJADRN Cc1cc(Br)cc2cc([C@H](C(C)C)N(C)C(=O)c3ccnc4[nH]c(=O)[nH]c43)oc21 ZINC001446878129 1066752468 /nfs/dbraw/zinc/75/24/68/1066752468.db2.gz KMTXKCMBBURHHZ-KRWDZBQOSA-N 0 0 457.328 4.950 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001492647768 1066752439 /nfs/dbraw/zinc/75/24/39/1066752439.db2.gz WHDHMTSHYGVZHD-UHFFFAOYSA-N 0 0 469.630 4.805 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)C2CCC2)c1 ZINC001492648098 1066752863 /nfs/dbraw/zinc/75/28/63/1066752863.db2.gz JSMWMSHCOPOYLC-NHCUHLMSSA-N 0 0 473.687 4.509 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001457062160 1066753101 /nfs/dbraw/zinc/75/31/01/1066753101.db2.gz MUZWZBHWSVHENT-HKBOAZHASA-N 0 0 481.641 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COc3ccc(Cl)cc3)n1)C2 ZINC001457061504 1066753117 /nfs/dbraw/zinc/75/31/17/1066753117.db2.gz OIALQCFKKBPZKV-NEWSRXKRSA-N 0 0 478.014 4.575 20 0 JJADRN COc1ccc(CN(C(=O)c2cc3c(C)nn(C)c3nc2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001446882812 1066753202 /nfs/dbraw/zinc/75/32/02/1066753202.db2.gz TYTRUZSZQUVTDF-OPAMFIHVSA-N 0 0 450.583 4.823 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)c2ccco2)c1 ZINC001492648307 1066753316 /nfs/dbraw/zinc/75/33/16/1066753316.db2.gz PZQZQYWPCYHDQM-UHFFFAOYSA-N 0 0 479.606 4.503 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2ccccc2OC(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064903 1066753655 /nfs/dbraw/zinc/75/36/55/1066753655.db2.gz FDWYSXGUZYJULO-JOCHJYFZSA-N 0 0 459.514 4.773 20 0 JJADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886824 1066753727 /nfs/dbraw/zinc/75/37/27/1066753727.db2.gz YAKBZUXWVCAVQI-KDOFPFPSSA-N 0 0 451.386 4.653 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)c1 ZINC001492648337 1066754054 /nfs/dbraw/zinc/75/40/54/1066754054.db2.gz QYVFOOSQEQMGOI-YTTGMZPUSA-N 0 0 472.680 4.781 20 0 JJADRN Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)c1 ZINC001492648346 1066754082 /nfs/dbraw/zinc/75/40/82/1066754082.db2.gz RHSHJJSIVNWSBC-UHFFFAOYSA-N 0 0 459.566 4.567 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](Cc2ccccc2)C1)OC ZINC001545990455 1066754260 /nfs/dbraw/zinc/75/42/60/1066754260.db2.gz SMVHOIZHYTXPOB-VWNXMTODSA-N 0 0 497.684 4.887 20 0 JJADRN O=C(c1cc(Cl)ccc1I)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001457068685 1066754760 /nfs/dbraw/zinc/75/47/60/1066754760.db2.gz LVQXJMJGGRGWEL-OAHLLOKOSA-N 0 0 455.723 4.888 20 0 JJADRN CCc1ccc([C@H](NC(=O)/C=C\c2ccnc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457068076 1066754790 /nfs/dbraw/zinc/75/47/90/1066754790.db2.gz FZGHHAUKSKJXFU-BYMZIJLFSA-N 0 0 454.979 4.620 20 0 JJADRN COc1cc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001446901521 1066754761 /nfs/dbraw/zinc/75/47/61/1066754761.db2.gz WGPKMXCSGZYQDK-VWLOTQADSA-N 0 0 455.913 4.800 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001457072963 1066755162 /nfs/dbraw/zinc/75/51/62/1066755162.db2.gz WEIJMHZWZDBNAU-HXUWFJFHSA-N 0 0 454.368 4.886 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCCc2ccccn2)n1 ZINC001492648927 1066755509 /nfs/dbraw/zinc/75/55/09/1066755509.db2.gz MMLXPXGGXWVKTG-SFHVURJKSA-N 0 0 466.586 4.834 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492648939 1066755578 /nfs/dbraw/zinc/75/55/78/1066755578.db2.gz MWTWLGKVJRVHMC-TZIWHRDSSA-N 0 0 455.628 4.709 20 0 JJADRN CCO[C@H](C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001457073977 1066755634 /nfs/dbraw/zinc/75/56/34/1066755634.db2.gz LICTYHQOZCLVPD-DQEYMECFSA-N 0 0 451.588 4.636 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001457073930 1066755660 /nfs/dbraw/zinc/75/56/60/1066755660.db2.gz JBPRLEMTFFSYHN-SZNDQCEHSA-N 0 0 453.576 4.897 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492649063 1066755990 /nfs/dbraw/zinc/75/59/90/1066755990.db2.gz QIGVNQOPLIVTAE-UHFFFAOYSA-N 0 0 475.416 4.867 20 0 JJADRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457077282 1066756274 /nfs/dbraw/zinc/75/62/74/1066756274.db2.gz WVVGJJGDLHMNSX-VWNXMTODSA-N 0 0 455.551 4.601 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492649283 1066756366 /nfs/dbraw/zinc/75/63/66/1066756366.db2.gz WVOTZYALBANXFY-LLVKDONJSA-N 0 0 456.460 4.524 20 0 JJADRN Cc1ccc(Br)c(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457077811 1066756727 /nfs/dbraw/zinc/75/67/27/1066756727.db2.gz QQTSXNXCUCSRCM-OAQYLSRUSA-N 0 0 458.377 4.680 20 0 JJADRN Cc1cc2nc(NC(=O)c3cnn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)sc2cc1F ZINC001457077416 1066756815 /nfs/dbraw/zinc/75/68/15/1066756815.db2.gz ANTVNSLWCMIEDA-OAHLLOKOSA-N 0 0 459.547 4.765 20 0 JJADRN CCc1ccc([C@H](NC(=O)[C@H](C)OC2CCCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457081769 1066757192 /nfs/dbraw/zinc/75/71/92/1066757192.db2.gz WVRPJNQOZWQSQV-DFBJGRDBSA-N 0 0 457.636 4.986 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492649933 1066757468 /nfs/dbraw/zinc/75/74/68/1066757468.db2.gz UVBPQELUTBOLJZ-KRWDZBQOSA-N 0 0 452.411 4.926 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)Cc2coc3c2ccc(Cl)c3Cl)[nH]n1 ZINC001446931280 1066757555 /nfs/dbraw/zinc/75/75/55/1066757555.db2.gz ZFLOVQJFXBKAMW-UHFFFAOYSA-N 0 0 458.301 4.775 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)OC2CCCC2)n1 ZINC001492650444 1066757930 /nfs/dbraw/zinc/75/79/30/1066757930.db2.gz KUZMNQPHSZPDFV-QGZVFWFLSA-N 0 0 476.647 4.516 20 0 JJADRN Cc1csc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@H](C)CC2)n1 ZINC001492650215 1066757954 /nfs/dbraw/zinc/75/79/54/1066757954.db2.gz DHFKJIXOLPWIOJ-KRWDZBQOSA-N 0 0 474.675 4.832 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC001546086887 1066758317 /nfs/dbraw/zinc/75/83/17/1066758317.db2.gz AOTCPDREQRMTAM-ZDPZECHZSA-N 0 0 453.414 4.808 20 0 JJADRN COc1ccc([C@H](CO)N(C)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC001446936335 1066758233 /nfs/dbraw/zinc/75/82/33/1066758233.db2.gz IFEZWAVYQIUVHT-SFHVURJKSA-N 0 0 450.482 4.952 20 0 JJADRN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1I ZINC001446958432 1066758744 /nfs/dbraw/zinc/75/87/44/1066758744.db2.gz YANPWPCMEACNSI-CYBMUJFWSA-N 0 0 455.601 4.793 20 0 JJADRN Cc1csc(Cn2c(N(Cc3cccc(F)c3)C(C)C)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492651458 1066758849 /nfs/dbraw/zinc/75/88/49/1066758849.db2.gz RNKMPVOLRHXKJI-DEOSSOPVSA-N 0 0 473.618 4.686 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2NCc2ccccc2C)nnn1CCOc1ccc(F)cc1 ZINC001446964682 1066759285 /nfs/dbraw/zinc/75/92/85/1066759285.db2.gz OKXJBOLNLPKCFI-UHFFFAOYSA-N 0 0 459.525 4.977 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCCNC(=O)C(C)(C)C)c2nc3ccccc3s2)c1 ZINC001457089070 1066759264 /nfs/dbraw/zinc/75/92/64/1066759264.db2.gz FYZFMWZURSZAGQ-NBVRZTHBSA-N 0 0 451.592 4.514 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)c2ccco2)n1 ZINC001492651731 1066759325 /nfs/dbraw/zinc/75/93/25/1066759325.db2.gz ARRYUXSWDCSIPY-IRXDYDNUSA-N 0 0 472.615 4.954 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccc(F)cc2)n1 ZINC001492651817 1066759343 /nfs/dbraw/zinc/75/93/43/1066759343.db2.gz DMSDYPWLHYWQRE-TZIWHRDSSA-N 0 0 473.618 4.664 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(C)(C)C(C)C)CC2)n1 ZINC001492651769 1066759391 /nfs/dbraw/zinc/75/93/91/1066759391.db2.gz BTDDONCINJDXMQ-UHFFFAOYSA-N 0 0 495.697 4.921 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3sc(-c4ccc(OC)cc4)nc3C)ccc2NC1=O ZINC001457092238 1066759710 /nfs/dbraw/zinc/75/97/10/1066759710.db2.gz MNWLKQNHEKCMRM-BFUOFWGJSA-N 0 0 451.548 4.728 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@H](C)Cc4cccs4)c(=O)c23)cc1 ZINC001457092311 1066759840 /nfs/dbraw/zinc/75/98/40/1066759840.db2.gz GCCPISSSFRHILY-QGZVFWFLSA-N 0 0 451.617 4.880 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)nn1-c1ccccc1Cl ZINC001446965969 1066759811 /nfs/dbraw/zinc/75/98/11/1066759811.db2.gz RHCWWFQZABFAAV-NRFANRHFSA-N 0 0 452.942 4.820 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001492652597 1066760232 /nfs/dbraw/zinc/76/02/32/1066760232.db2.gz JAMLYJMVLZJTNB-AABGKKOBSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001492652600 1066760265 /nfs/dbraw/zinc/76/02/65/1066760265.db2.gz JAMLYJMVLZJTNB-UFYCRDLUSA-N 0 0 490.695 4.711 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3cscn3)cc2)cc1 ZINC001457094246 1066760305 /nfs/dbraw/zinc/76/03/05/1066760305.db2.gz KXDAYIYKRCJVKK-UHFFFAOYSA-N 0 0 450.541 4.854 20 0 JJADRN Cc1cscc1Cn1c(C(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001492652436 1066760283 /nfs/dbraw/zinc/76/02/83/1066760283.db2.gz FWEHLZOEGFIGJZ-UHFFFAOYSA-N 0 0 456.591 4.749 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCCCCO)CC2)n1 ZINC001492652466 1066760326 /nfs/dbraw/zinc/76/03/26/1066760326.db2.gz UVOJUFVWULLBPM-UHFFFAOYSA-N 0 0 481.453 4.506 20 0 JJADRN CCc1cnc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)s1 ZINC001457096474 1066760711 /nfs/dbraw/zinc/76/07/11/1066760711.db2.gz HWIYTMOSLRNBNC-KRWDZBQOSA-N 0 0 457.518 4.649 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c2ccccc21 ZINC001457096885 1066760739 /nfs/dbraw/zinc/76/07/39/1066760739.db2.gz MGMOJZDBPVPRMG-MRXNPFEDSA-N 0 0 450.466 4.758 20 0 JJADRN Cc1csc(N2CCN(c3nnc(CC(C)C)n3CCc3nc(C(C)(C)C)cs3)CC2)n1 ZINC001492652770 1066760876 /nfs/dbraw/zinc/76/08/76/1066760876.db2.gz LTFVICDHMJNOPS-UHFFFAOYSA-N 0 0 473.716 4.565 20 0 JJADRN Cc1cscc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001492653298 1066761456 /nfs/dbraw/zinc/76/14/56/1066761456.db2.gz DDIRBLJYENONIK-UHFFFAOYSA-N 0 0 485.526 4.640 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC001446982606 1066761464 /nfs/dbraw/zinc/76/14/64/1066761464.db2.gz MNIPUHJLQQDRJZ-QFIPXVFZSA-N 0 0 451.615 4.744 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)ccc2NC1=O ZINC001457100150 1066761873 /nfs/dbraw/zinc/76/18/73/1066761873.db2.gz XPBGTWLLCZTBQT-UZUQRXQVSA-N 0 0 457.530 4.564 20 0 JJADRN CC[C@]1(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985483 1066761864 /nfs/dbraw/zinc/76/18/64/1066761864.db2.gz QFEIFXCZMMENAW-KBMIEXCESA-N 0 0 459.635 4.738 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492653824 1066762401 /nfs/dbraw/zinc/76/24/01/1066762401.db2.gz NWCIVFIEWRYVGZ-UYAOXDASSA-N 0 0 475.659 4.679 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492653881 1066762420 /nfs/dbraw/zinc/76/24/20/1066762420.db2.gz HWNGEXYVGNPGCW-UHFFFAOYSA-N 0 0 457.575 4.560 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446989219 1066762542 /nfs/dbraw/zinc/76/25/42/1066762542.db2.gz REXQOVDXYYLWCE-YADHBBJMSA-N 0 0 480.996 4.793 20 0 JJADRN Cc1cscc1Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CCOC(C)(C)C ZINC001492653932 1066762851 /nfs/dbraw/zinc/76/28/51/1066762851.db2.gz QBPBLLOKFMLQPF-UHFFFAOYSA-N 0 0 494.665 4.905 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492654001 1066762958 /nfs/dbraw/zinc/76/29/58/1066762958.db2.gz KCROZDFWCUPIDR-FQEVSTJZSA-N 0 0 453.612 4.857 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492654312 1066763386 /nfs/dbraw/zinc/76/33/86/1066763386.db2.gz UWNWKAWVDVHTQZ-CTNGQTDRSA-N 0 0 487.670 4.797 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)s1 ZINC001457104512 1066763543 /nfs/dbraw/zinc/76/35/43/1066763543.db2.gz VVXBGDSLMAOOPO-JCURWCKSSA-N 0 0 451.386 4.515 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001446991411 1066763460 /nfs/dbraw/zinc/76/34/60/1066763460.db2.gz NPNQAIRBIDFTGD-NJYVYQBISA-N 0 0 452.595 4.901 20 0 JJADRN COc1cccc(N(CC(=O)NCc2ccccc2N2CCCCC2)C(=O)OC(C)(C)C)c1 ZINC001446994607 1066763594 /nfs/dbraw/zinc/76/35/94/1066763594.db2.gz ZBLOXQHGHYOGRJ-UHFFFAOYSA-N 0 0 453.583 4.743 20 0 JJADRN Cc1cscc1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492654556 1066763762 /nfs/dbraw/zinc/76/37/62/1066763762.db2.gz YBIRBHFVYVFVON-UHFFFAOYSA-N 0 0 482.654 4.518 20 0 JJADRN Cc1cscc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492654319 1066763820 /nfs/dbraw/zinc/76/38/20/1066763820.db2.gz UWNWKAWVDVHTQZ-TZIWHRDSSA-N 0 0 487.670 4.797 20 0 JJADRN Cc1cscc1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCOCC1CC1 ZINC001492654492 1066763911 /nfs/dbraw/zinc/76/39/11/1066763911.db2.gz VJVIIIIISHXCLH-UHFFFAOYSA-N 0 0 461.429 4.989 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492654705 1066764305 /nfs/dbraw/zinc/76/43/05/1066764305.db2.gz ZJHZKDIASLORPM-IBGZPJMESA-N 0 0 453.612 4.775 20 0 JJADRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001457113473 1066764805 /nfs/dbraw/zinc/76/48/05/1066764805.db2.gz NIOVRCXYKGRCJD-RHSMWYFYSA-N 0 0 453.873 4.903 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)s1 ZINC001492654733 1066764863 /nfs/dbraw/zinc/76/48/63/1066764863.db2.gz ANEIZQFEJUEVQA-QGZVFWFLSA-N 0 0 489.926 4.821 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Br)cc3)nnc2N2CCS[C@@H](C)C2)s1 ZINC001492654774 1066764878 /nfs/dbraw/zinc/76/48/78/1066764878.db2.gz BRFBKSCNDHOYLY-ZDUSSCGKSA-N 0 0 478.485 4.965 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001457112477 1066764855 /nfs/dbraw/zinc/76/48/55/1066764855.db2.gz HKEUBYGXXVNTMP-SSEXGKCCSA-N 0 0 452.523 4.762 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)CC3)[nH]n2)cc1 ZINC001457111576 1066764897 /nfs/dbraw/zinc/76/48/97/1066764897.db2.gz CBEHGGMBDAXMCD-QFIPXVFZSA-N 0 0 452.599 4.883 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492655104 1066765191 /nfs/dbraw/zinc/76/51/91/1066765191.db2.gz KZMOOSBHLBAOHN-LAUBAEHRSA-N 0 0 473.618 4.734 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492655107 1066765334 /nfs/dbraw/zinc/76/53/34/1066765334.db2.gz KZMOOSBHLBAOHN-UTKZUKDTSA-N 0 0 473.618 4.734 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)NCC2(Cc3ccccc3)CCCC2)cc1 ZINC001447010045 1066765403 /nfs/dbraw/zinc/76/54/03/1066765403.db2.gz OMQVOYYEUQSWPO-UHFFFAOYSA-N 0 0 450.608 4.552 20 0 JJADRN CN(CCc1ccc(Cl)cc1)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001447012334 1066765498 /nfs/dbraw/zinc/76/54/98/1066765498.db2.gz SAHVISDLAFHUOY-UHFFFAOYSA-N 0 0 456.011 4.544 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001447010816 1066765609 /nfs/dbraw/zinc/76/56/09/1066765609.db2.gz JSNFYFFJKMSKLZ-HNNXBMFYSA-N 0 0 454.189 4.718 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001447014368 1066765946 /nfs/dbraw/zinc/76/59/46/1066765946.db2.gz PQUXCCJMCVYJCL-KBXCAEBGSA-N 0 0 455.393 4.815 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC001447013937 1066766018 /nfs/dbraw/zinc/76/60/18/1066766018.db2.gz VMIGSUZJIHLSRI-OXQOHEQNSA-N 0 0 451.567 4.564 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC001546087374 1066766000 /nfs/dbraw/zinc/76/60/00/1066766000.db2.gz KWMQJHBVKQTEAX-BNIKKZEQSA-N 0 0 472.630 4.563 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001492655344 1066766256 /nfs/dbraw/zinc/76/62/56/1066766256.db2.gz IBFDETCFXARIHR-SFHVURJKSA-N 0 0 463.573 4.554 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc4c(c3)OCCO4)nnc2N(CC(C)C)C(C)C)s1 ZINC001492655395 1066766291 /nfs/dbraw/zinc/76/62/91/1066766291.db2.gz PSZWROJDVVHERO-UHFFFAOYSA-N 0 0 455.628 4.903 20 0 JJADRN O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC001457119093 1066766405 /nfs/dbraw/zinc/76/64/05/1066766405.db2.gz FUATZDBXMNHLPA-CQSZACIVSA-N 0 0 450.461 4.680 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001492655614 1066766929 /nfs/dbraw/zinc/76/69/29/1066766929.db2.gz KSOOVHSEOABQCC-UHFFFAOYSA-N 0 0 464.639 4.943 20 0 JJADRN Cc1c(N)c(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1Br ZINC001447017172 1066766827 /nfs/dbraw/zinc/76/68/27/1066766827.db2.gz VPZGYDZXYBWOJN-AWEZNQCLSA-N 0 0 453.205 4.975 20 0 JJADRN CC[C@@H](CSC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447023116 1066767178 /nfs/dbraw/zinc/76/71/78/1066767178.db2.gz GCMUNBWOTMYWOY-IBGZPJMESA-N 0 0 452.620 4.905 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)C12CCCCC2 ZINC001457123591 1066767207 /nfs/dbraw/zinc/76/72/07/1066767207.db2.gz YYKGIBMEUABWOE-GOTSBHOMSA-N 0 0 454.615 4.817 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492656031 1066767778 /nfs/dbraw/zinc/76/77/78/1066767778.db2.gz UYQKIRLNSMYYFD-JOCHJYFZSA-N 0 0 496.681 4.715 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492655953 1066767955 /nfs/dbraw/zinc/76/79/55/1066767955.db2.gz RKYIXKHTVIPHNI-GOSISDBHSA-N 0 0 488.057 4.622 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C[C@H]1F ZINC001447030026 1066768001 /nfs/dbraw/zinc/76/80/01/1066768001.db2.gz OEEBHNOBQDMPJL-WZONZLPQSA-N 0 0 452.551 4.975 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N(C)Cc2cccc(OC(F)F)c2)s1 ZINC001492655862 1066767962 /nfs/dbraw/zinc/76/79/62/1066767962.db2.gz ZREROSJGSBHEMJ-UHFFFAOYSA-N 0 0 472.565 4.837 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cc(=O)n(C)cc2Br)cc1 ZINC001457127196 1066768151 /nfs/dbraw/zinc/76/81/51/1066768151.db2.gz QFDRVZXTTQMFKL-HNNXBMFYSA-N 0 0 455.352 4.657 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492656112 1066768360 /nfs/dbraw/zinc/76/83/60/1066768360.db2.gz XICLPPDFLCHUIW-IBGZPJMESA-N 0 0 473.668 4.842 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3c[nH]c4ccccc43)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492656358 1066768392 /nfs/dbraw/zinc/76/83/92/1066768392.db2.gz FTTXHADSSKMTQC-UHFFFAOYSA-N 0 0 452.628 4.994 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492656113 1066768515 /nfs/dbraw/zinc/76/85/15/1066768515.db2.gz XICLPPDFLCHUIW-LJQANCHMSA-N 0 0 473.668 4.842 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1)Oc1cccc(F)c1 ZINC001545991880 1066768646 /nfs/dbraw/zinc/76/86/46/1066768646.db2.gz BIEZYKGVVQVZFI-DENIHFKCSA-N 0 0 492.661 4.582 20 0 JJADRN C[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)Oc1cccc(Br)c1 ZINC001457130228 1066768675 /nfs/dbraw/zinc/76/86/75/1066768675.db2.gz IWZTVTRZFVQPRK-ZDUSSCGKSA-N 0 0 453.174 4.827 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1)Oc1cccc(F)c1 ZINC001545991883 1066768707 /nfs/dbraw/zinc/76/87/07/1066768707.db2.gz BIEZYKGVVQVZFI-UGKGYDQZSA-N 0 0 492.661 4.582 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCNC(=O)C(C)C)CCO1 ZINC001546087503 1066768782 /nfs/dbraw/zinc/76/87/82/1066768782.db2.gz NIKJFGWTQQCFNT-VWLOTQADSA-N 0 0 485.629 4.590 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492656476 1066768981 /nfs/dbraw/zinc/76/89/81/1066768981.db2.gz IZGZSWHNVXBUBN-LJQANCHMSA-N 0 0 472.703 4.630 20 0 JJADRN C[C@@H](CNC(=O)c1cc(Br)ccc1OC(F)F)c1nc(-c2ccccc2)no1 ZINC001447049474 1066769133 /nfs/dbraw/zinc/76/91/33/1066769133.db2.gz HSNVVKUCOHJNCW-NSHDSACASA-N 0 0 452.255 4.634 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)c1nc(-c2ccccc2)no1 ZINC001447047843 1066769145 /nfs/dbraw/zinc/76/91/45/1066769145.db2.gz BNHWLLHDKUTJPA-XLIONFOSSA-N 0 0 456.587 4.820 20 0 JJADRN C[C@H](CNC(=O)c1cc(Br)ccc1OC(F)F)c1nc(-c2ccccc2)no1 ZINC001447049473 1066769210 /nfs/dbraw/zinc/76/92/10/1066769210.db2.gz HSNVVKUCOHJNCW-LLVKDONJSA-N 0 0 452.255 4.634 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC001457130869 1066769098 /nfs/dbraw/zinc/76/90/98/1066769098.db2.gz USAHIKBEGSPLMF-INIZCTEOSA-N 0 0 459.514 4.991 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)Oc1ccccc1F ZINC001545991932 1066769243 /nfs/dbraw/zinc/76/92/43/1066769243.db2.gz BVZDAILZASUWLD-RTWAWAEBSA-N 0 0 495.647 4.759 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@@H](C)Oc3cccc(Br)c3)c3c2CCC3)cc1 ZINC001457134350 1066769591 /nfs/dbraw/zinc/76/95/91/1066769591.db2.gz NOQVHAUHXPQMCW-MRXNPFEDSA-N 0 0 454.368 4.629 20 0 JJADRN CC(C)[C@H]1CCCN1c1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC001447052117 1066769654 /nfs/dbraw/zinc/76/96/54/1066769654.db2.gz NUDDRUSCQUVXDF-HRAATJIYSA-N 0 0 450.551 4.781 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCC(F)F)s1 ZINC001492656898 1066769888 /nfs/dbraw/zinc/76/98/88/1066769888.db2.gz PADUXBJGSCVGJG-UHFFFAOYSA-N 0 0 498.644 4.800 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001457135571 1066770163 /nfs/dbraw/zinc/77/01/63/1066770163.db2.gz PSFYBSIOKOLTJH-LBPRGKRZSA-N 0 0 453.317 4.901 20 0 JJADRN CC(C)(CO)N1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001447055324 1066770125 /nfs/dbraw/zinc/77/01/25/1066770125.db2.gz BLHNEPBKJNFKKD-FQEVSTJZSA-N 0 0 453.435 4.742 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)[C@H](C)c3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492657241 1066770401 /nfs/dbraw/zinc/77/04/01/1066770401.db2.gz PYWLJLBYORIEDE-IQGLISFBSA-N 0 0 487.645 4.971 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)[C@@H](C)c3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492657237 1066770507 /nfs/dbraw/zinc/77/05/07/1066770507.db2.gz PYWLJLBYORIEDE-BVZFJXPGSA-N 0 0 487.645 4.971 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001447068990 1066770723 /nfs/dbraw/zinc/77/07/23/1066770723.db2.gz JAHSDPOTNSOFJM-QVKFZJNVSA-N 0 0 455.813 4.703 20 0 JJADRN Cc1cccnc1[C@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001457138316 1066770943 /nfs/dbraw/zinc/77/09/43/1066770943.db2.gz MZUWVZLPIRZDFS-INIZCTEOSA-N 0 0 457.452 4.917 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c2c1CCC2 ZINC001457139651 1066771107 /nfs/dbraw/zinc/77/11/07/1066771107.db2.gz VMAYYDXEDMGXGG-XMMPIXPASA-N 0 0 455.526 4.685 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccccc2F)CCO1 ZINC001546087132 1066771526 /nfs/dbraw/zinc/77/15/26/1066771526.db2.gz GZQWBLLOIDQMHP-HJPURHCSSA-N 0 0 459.953 4.605 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C(C)(C)C)C2)s1 ZINC001492657761 1066771493 /nfs/dbraw/zinc/77/14/93/1066771493.db2.gz ZLDSRJMOMQCHND-OAQYLSRUSA-N 0 0 473.618 4.564 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)C[C@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492657723 1066771530 /nfs/dbraw/zinc/77/15/30/1066771530.db2.gz XYXKEWDTJZASAP-AFMDSPMNSA-N 0 0 483.682 4.875 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2F)CCO1 ZINC001546087133 1066771572 /nfs/dbraw/zinc/77/15/72/1066771572.db2.gz GZQWBLLOIDQMHP-MWTRTKDXSA-N 0 0 459.953 4.605 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccn3)nnc2N(C)CCOc2ccccc2Cl)s1 ZINC001492657806 1066772056 /nfs/dbraw/zinc/77/20/56/1066772056.db2.gz BIJFPQZMVRGATI-UHFFFAOYSA-N 0 0 454.987 4.630 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(Br)c2)s1 ZINC001492658166 1066772587 /nfs/dbraw/zinc/77/25/87/1066772587.db2.gz NENKCZIHXXKIDE-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546087249 1066772504 /nfs/dbraw/zinc/77/25/04/1066772504.db2.gz IVIFFWMKKGGGBJ-VQIMIIECSA-N 0 0 464.891 4.710 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492658203 1066772603 /nfs/dbraw/zinc/77/26/03/1066772603.db2.gz OFYKDOOFTXQFHO-MRXNPFEDSA-N 0 0 476.444 4.835 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(F)F)c2)s1 ZINC001492658609 1066773178 /nfs/dbraw/zinc/77/31/78/1066773178.db2.gz UJRIIKUMHQAMTA-UHFFFAOYSA-N 0 0 456.522 4.700 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@H](C)C2)s1 ZINC001492658778 1066773485 /nfs/dbraw/zinc/77/34/85/1066773485.db2.gz WOMNBQNHKMTKFZ-INIZCTEOSA-N 0 0 474.675 4.751 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492658744 1066773579 /nfs/dbraw/zinc/77/35/79/1066773579.db2.gz JFLYACPLZIDUCS-FUHWJXTLSA-N 0 0 459.591 4.542 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc1 ZINC001457151581 1066773510 /nfs/dbraw/zinc/77/35/10/1066773510.db2.gz VSMVVGZDZWJXKY-UHFFFAOYSA-N 0 0 452.576 4.533 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001546087629 1066774097 /nfs/dbraw/zinc/77/40/97/1066774097.db2.gz PRAKHPKZPJPRJD-VWLBVBLESA-N 0 0 462.038 4.983 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(F)(F)F)CCO1 ZINC001546087594 1066774139 /nfs/dbraw/zinc/77/41/39/1066774139.db2.gz PAPSKKKZHKGGEV-NRFANRHFSA-N 0 0 450.461 4.685 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492658946 1066774073 /nfs/dbraw/zinc/77/40/73/1066774073.db2.gz LLVHVSLNQNKWHZ-NRFANRHFSA-N 0 0 482.654 4.520 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492658888 1066774111 /nfs/dbraw/zinc/77/41/11/1066774111.db2.gz KPZKGCDAYBXAGU-MRXNPFEDSA-N 0 0 464.458 4.771 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3c(C)onc3-c3cccc(Br)c3)CC2)cc1 ZINC001457155676 1066774641 /nfs/dbraw/zinc/77/46/41/1066774641.db2.gz IUAQZHLWCVJZFB-UHFFFAOYSA-N 0 0 454.368 4.937 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1c[nH]c(=O)c2ccccc12 ZINC001447109936 1066774900 /nfs/dbraw/zinc/77/49/00/1066774900.db2.gz OXBWMPBAJCCGIJ-UHFFFAOYSA-N 0 0 456.123 4.819 20 0 JJADRN CC1(C)CC(C)(C)c2cc(NC(=O)[C@]3(C)C[C@H](O)CN3C(=O)OCc3ccccc3)ccc21 ZINC001447109913 1066775172 /nfs/dbraw/zinc/77/51/72/1066775172.db2.gz OVEKHWNNTPABTP-DCFHFQCYSA-N 0 0 450.579 4.746 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCS2)CCO1 ZINC001546087723 1066775301 /nfs/dbraw/zinc/77/53/01/1066775301.db2.gz RQKWYEJPHUKTGW-DVECYGJZSA-N 0 0 460.644 4.642 20 0 JJADRN C[C@H](C(=O)NCC1(c2ccccc2Cl)CCCCC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001447113011 1066775533 /nfs/dbraw/zinc/77/55/33/1066775533.db2.gz ZJYGQTVJZBOGGJ-FXAWDEMLSA-N 0 0 453.023 4.522 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC001447114631 1066775615 /nfs/dbraw/zinc/77/56/15/1066775615.db2.gz UJLWRIRCMODNLR-HNNXBMFYSA-N 0 0 459.641 4.784 20 0 JJADRN O=C(NCCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)c1ccccc1F ZINC001457158036 1066775666 /nfs/dbraw/zinc/77/56/66/1066775666.db2.gz WWEDHUQVRAAFCI-UHFFFAOYSA-N 0 0 450.476 4.983 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CCO1 ZINC001546087787 1066775864 /nfs/dbraw/zinc/77/58/64/1066775864.db2.gz STSUWQWDHHLYJD-QFIPXVFZSA-N 0 0 499.990 4.764 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)C)nnc2N(C)Cc2cc3c(cc2OC(F)F)OCO3)s1 ZINC001492659463 1066776504 /nfs/dbraw/zinc/77/65/04/1066776504.db2.gz BWYTVJVRKMEMLZ-UHFFFAOYSA-N 0 0 479.553 4.565 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492659704 1066776815 /nfs/dbraw/zinc/77/68/15/1066776815.db2.gz KANKRGPMDLEKHO-UHFFFAOYSA-N 0 0 489.468 4.846 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(CC(C)(C)C)nnc3N3C[C@@H](C)C(F)(F)[C@@H](C)C3)cc2)n[nH]1 ZINC001492659771 1066776947 /nfs/dbraw/zinc/77/69/47/1066776947.db2.gz BUCSCZAAYJBKOS-IYBDPMFKSA-N 0 0 457.573 4.736 20 0 JJADRN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(F)c(Br)c1 ZINC001457165020 1066777358 /nfs/dbraw/zinc/77/73/58/1066777358.db2.gz NLHPDRUEXSRWTA-UHFFFAOYSA-N 0 0 458.312 4.665 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCOC)CCO1 ZINC001546087963 1066777536 /nfs/dbraw/zinc/77/75/36/1066777536.db2.gz XNATYNNBUUUNSF-OAQYLSRUSA-N 0 0 469.399 4.669 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001545992954 1066777974 /nfs/dbraw/zinc/77/79/74/1066777974.db2.gz PTVDDNXWXYBDGL-MJGOQNOKSA-N 0 0 497.562 4.779 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@H](C)C2)s1 ZINC001492660602 1066778077 /nfs/dbraw/zinc/77/80/77/1066778077.db2.gz QWNUJUZKUBWCCF-AWEZNQCLSA-N 0 0 476.444 4.978 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492660601 1066778122 /nfs/dbraw/zinc/77/81/22/1066778122.db2.gz QUTLOZOXMGMERA-LSDHHAIUSA-N 0 0 464.060 4.962 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001447139803 1066777989 /nfs/dbraw/zinc/77/79/89/1066777989.db2.gz ZIXARZUCVJLTRB-INIZCTEOSA-N 0 0 454.354 4.990 20 0 JJADRN CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F)c1ccccc1 ZINC001545992955 1066778151 /nfs/dbraw/zinc/77/81/51/1066778151.db2.gz PTVDDNXWXYBDGL-PKOBYXMFSA-N 0 0 497.562 4.779 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2)NC(=O)OC(C)(C)C ZINC001545993045 1066778172 /nfs/dbraw/zinc/77/81/72/1066778172.db2.gz QYNIHGWTSNQNML-LJQANCHMSA-N 0 0 487.645 4.925 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492660809 1066778455 /nfs/dbraw/zinc/77/84/55/1066778455.db2.gz VSJKLMWSJAVVKK-UHFFFAOYSA-N 0 0 472.977 4.803 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(N4CCC(CC(F)(F)F)CC4)nnc3C(C)(C)C)cc2)n[nH]1 ZINC001492660777 1066778529 /nfs/dbraw/zinc/77/85/29/1066778529.db2.gz UTPQEJDSYWICGX-UHFFFAOYSA-N 0 0 461.536 4.886 20 0 JJADRN COC(=O)CSCCC(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC001447157746 1066778620 /nfs/dbraw/zinc/77/86/20/1066778620.db2.gz FOIVIYCMPQZUTI-UHFFFAOYSA-N 0 0 459.312 4.706 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC001457168316 1066778505 /nfs/dbraw/zinc/77/85/05/1066778505.db2.gz ITRRVWXAANRMCJ-CQSZACIVSA-N 0 0 456.543 4.728 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001457168486 1066778589 /nfs/dbraw/zinc/77/85/89/1066778589.db2.gz MEQSYISXGSVDOD-UHFFFAOYSA-N 0 0 452.866 4.705 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCCCn2ccnc2C)cs1 ZINC001492661046 1066779034 /nfs/dbraw/zinc/77/90/34/1066779034.db2.gz CBVAZMHENQRUBW-QGZVFWFLSA-N 0 0 465.627 4.522 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001457170143 1066779130 /nfs/dbraw/zinc/77/91/30/1066779130.db2.gz HHELILRNQVFJGB-VXGBXAGGSA-N 0 0 450.283 4.833 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001492661107 1066779786 /nfs/dbraw/zinc/77/97/86/1066779786.db2.gz CXLDIQAGKVDWND-JTSKRJEESA-N 0 0 469.655 4.612 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001447168150 1066779838 /nfs/dbraw/zinc/77/98/38/1066779838.db2.gz GYCIULBEHYOMPD-QGZVFWFLSA-N 0 0 453.322 4.910 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001457172042 1066780135 /nfs/dbraw/zinc/78/01/35/1066780135.db2.gz SRFRKMOIPWRQTG-CYBMUJFWSA-N 0 0 452.320 4.627 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001546088070 1066780230 /nfs/dbraw/zinc/78/02/30/1066780230.db2.gz ZDCGSFOLQJGWBS-JOCHJYFZSA-N 0 0 479.025 4.940 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001447169778 1066780282 /nfs/dbraw/zinc/78/02/82/1066780282.db2.gz JBDGZGLCJUEGOZ-GFCCVEGCSA-N 0 0 458.608 4.863 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1C(F)F ZINC001447168244 1066780321 /nfs/dbraw/zinc/78/03/21/1066780321.db2.gz XGTKKKYPTNIMJK-OAQYLSRUSA-N 0 0 452.505 4.683 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001457173906 1066780699 /nfs/dbraw/zinc/78/06/99/1066780699.db2.gz ZPVUALYRRNYTEE-UHFFFAOYSA-N 0 0 459.468 4.836 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC001447179024 1066780869 /nfs/dbraw/zinc/78/08/69/1066780869.db2.gz FWMVRHNIFLMOQT-UHFFFAOYSA-N 0 0 457.372 4.754 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc(CCCc4ccccc4)n3CCCC(C)(C)C)CCO2)no1 ZINC001492661900 1066781365 /nfs/dbraw/zinc/78/13/65/1066781365.db2.gz FWMGTWVWNGPZOF-NRFANRHFSA-N 0 0 452.603 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2Cc2sc(C)nc2C)cs1 ZINC001492661984 1066781861 /nfs/dbraw/zinc/78/18/61/1066781861.db2.gz OHGDDUIMZIFLBV-AWEZNQCLSA-N 0 0 454.625 4.658 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC001447195238 1066781795 /nfs/dbraw/zinc/78/17/95/1066781795.db2.gz LHXKIJYRWSVPKG-QFIPXVFZSA-N 0 0 450.341 4.501 20 0 JJADRN CCN(C(=O)c1c[nH]c2cccc(Br)c12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457185751 1066781877 /nfs/dbraw/zinc/78/18/77/1066781877.db2.gz KEUPBWQJSHQITL-UHFFFAOYSA-N 0 0 450.377 4.792 20 0 JJADRN C[C@H](OC(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(Cl)ccc2n1C ZINC001457182429 1066781914 /nfs/dbraw/zinc/78/19/14/1066781914.db2.gz CWYYQSITOWBMJY-HNNXBMFYSA-N 0 0 457.983 4.859 20 0 JJADRN C[C@@H](OC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457184672 1066781937 /nfs/dbraw/zinc/78/19/37/1066781937.db2.gz JBWHSCQHVXCADC-QGZVFWFLSA-N 0 0 453.970 4.702 20 0 JJADRN C[C@@H](OC(=O)Cc1cccc(I)c1)c1nc2ccc(Cl)cc2n1C ZINC001457186349 1066782256 /nfs/dbraw/zinc/78/22/56/1066782256.db2.gz LTYLUBRJFOBNML-LLVKDONJSA-N 0 0 454.695 4.678 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC001447200850 1066782247 /nfs/dbraw/zinc/78/22/47/1066782247.db2.gz MGQNARAKEHCHLI-SFHVURJKSA-N 0 0 456.951 4.933 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1nnc(C(C)(C)C)s1)C(F)(F)F ZINC001457186449 1066782282 /nfs/dbraw/zinc/78/22/82/1066782282.db2.gz JKUPZMRHWXNKKL-OAHLLOKOSA-N 0 0 451.518 4.714 20 0 JJADRN C[C@H](OC(=O)c1cc(I)ccc1F)c1nc2ccc(Cl)cc2n1C ZINC001457187570 1066782718 /nfs/dbraw/zinc/78/27/18/1066782718.db2.gz NQARACIMDYMTJX-VIFPVBQESA-N 0 0 458.658 4.888 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 ZINC001447206931 1066782805 /nfs/dbraw/zinc/78/28/05/1066782805.db2.gz PHYGWGGVCOVSMQ-NRFANRHFSA-N 0 0 458.558 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NC[C@@]3(C)CCCc4ccccc43)ccc2C1 ZINC001447215307 1066782868 /nfs/dbraw/zinc/78/28/68/1066782868.db2.gz IDLFNOUCELSSGM-HHHXNRCGSA-N 0 0 450.579 4.840 20 0 JJADRN COc1ccc(O[C@H](C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC001457187353 1066782838 /nfs/dbraw/zinc/78/28/38/1066782838.db2.gz DCKIKUQNGORJIT-LJQANCHMSA-N 0 0 459.521 4.813 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)s1 ZINC001447208699 1066782948 /nfs/dbraw/zinc/78/29/48/1066782948.db2.gz JCBSLLYUEKYSBP-KRWDZBQOSA-N 0 0 452.580 4.837 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001457191835 1066783386 /nfs/dbraw/zinc/78/33/86/1066783386.db2.gz NDBNVIBNINZVIA-WBHUJUFNSA-N 0 0 458.205 4.645 20 0 JJADRN CSc1cccc([C@@H](NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c2ccc(F)c(F)c2)c1 ZINC001457191300 1066783399 /nfs/dbraw/zinc/78/33/99/1066783399.db2.gz FFPSPUGAPTXRSO-NFBKMPQASA-N 0 0 452.526 4.762 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCCCC3)n2CCOc2cccc(C(F)(F)F)n2)cs1 ZINC001492663591 1066783478 /nfs/dbraw/zinc/78/34/78/1066783478.db2.gz DOLLFMOCWRYAKL-UHFFFAOYSA-N 0 0 480.560 4.896 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)C(F)(F)F ZINC001457193614 1066783777 /nfs/dbraw/zinc/78/37/77/1066783777.db2.gz SDBYEJKWJITJBY-HXUWFJFHSA-N 0 0 454.452 4.819 20 0 JJADRN Cn1c(=O)cc(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)c2ccccc21 ZINC001457192049 1066783885 /nfs/dbraw/zinc/78/38/85/1066783885.db2.gz OPOCUVIFSDQBNW-KRWDZBQOSA-N 0 0 458.205 4.901 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCCCN(C)c2ccccc2)cs1 ZINC001492664030 1066783987 /nfs/dbraw/zinc/78/39/87/1066783987.db2.gz CADBMLMNVXIOHP-UHFFFAOYSA-N 0 0 452.550 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccccc2-n2ccc(C3CC3)n2)CC1 ZINC001457194189 1066784434 /nfs/dbraw/zinc/78/44/34/1066784434.db2.gz KLXYJBJVDRSSAD-LJQANCHMSA-N 0 0 452.599 4.907 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001457194174 1066784516 /nfs/dbraw/zinc/78/45/16/1066784516.db2.gz BVBCPYCLWPEABT-IBGZPJMESA-N 0 0 457.665 4.840 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnn(C)c3C)n2Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC001492664305 1066784415 /nfs/dbraw/zinc/78/44/15/1066784415.db2.gz IEALUEKUVXUCPZ-UHFFFAOYSA-N 0 0 493.534 4.518 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccccn1 ZINC001447235101 1066784498 /nfs/dbraw/zinc/78/44/98/1066784498.db2.gz XEUOIZQIRRSBCE-RUZDIDTESA-N 0 0 458.587 4.891 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCc2ccccc2C)cs1 ZINC001492664146 1066784509 /nfs/dbraw/zinc/78/45/09/1066784509.db2.gz CTBBHIJYJJZAJR-QGZVFWFLSA-N 0 0 452.653 4.881 20 0 JJADRN CO[C@@H](C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F ZINC001457193848 1066784556 /nfs/dbraw/zinc/78/45/56/1066784556.db2.gz JGDDLTNUOYCYGV-VQIMIIECSA-N 0 0 458.521 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC001457195290 1066784904 /nfs/dbraw/zinc/78/49/04/1066784904.db2.gz LRQYIJYXZNNJJU-AWEZNQCLSA-N 0 0 455.386 4.798 20 0 JJADRN CC(C)C(=O)NCCN(C)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001447249639 1066785058 /nfs/dbraw/zinc/78/50/58/1066785058.db2.gz IOOPOFVWEJYCQJ-UHFFFAOYSA-N 0 0 459.546 4.575 20 0 JJADRN O=C(c1nccnc1SCc1ccccc1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447262597 1066785507 /nfs/dbraw/zinc/78/55/07/1066785507.db2.gz ZEKYZGAKKPITMS-LJQANCHMSA-N 0 0 457.502 4.584 20 0 JJADRN CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3O)ccc21 ZINC001447260875 1066785574 /nfs/dbraw/zinc/78/55/74/1066785574.db2.gz GLAQUGDYYSKUOY-UHFFFAOYSA-N 0 0 456.608 4.778 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cnn1-c1ccc(C)cc1 ZINC001447262642 1066785608 /nfs/dbraw/zinc/78/56/08/1066785608.db2.gz ZJJHUZCFFKMDGU-QHCPKHFHSA-N 0 0 455.505 4.948 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)O[C@@H](c2cccc(Cl)c2)C(F)(F)F)ccc1Cl ZINC001457196886 1066785498 /nfs/dbraw/zinc/78/54/98/1066785498.db2.gz ZVZZVHPHPWJRGI-HNNXBMFYSA-N 0 0 456.269 4.704 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)O[C@H](c2cccc(Cl)c2)C(F)(F)F)ccc1Cl ZINC001457196891 1066785707 /nfs/dbraw/zinc/78/57/07/1066785707.db2.gz ZVZZVHPHPWJRGI-OAHLLOKOSA-N 0 0 456.269 4.704 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC001447269192 1066786097 /nfs/dbraw/zinc/78/60/97/1066786097.db2.gz PMYZNSLSHGSIGV-NSHDSACASA-N 0 0 456.768 4.665 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cc(Cl)cc(Cl)c3F)CCCC2)cc1OC ZINC001457197705 1066786293 /nfs/dbraw/zinc/78/62/93/1066786293.db2.gz LRZZWLQVBJHHOU-UHFFFAOYSA-N 0 0 455.313 4.831 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CCOC[C@H]2C)cs1 ZINC001492665209 1066786159 /nfs/dbraw/zinc/78/61/59/1066786159.db2.gz AMRSRHUIEVEVQI-CRAIPNDOSA-N 0 0 479.572 4.962 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2C[C@@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492665261 1066786172 /nfs/dbraw/zinc/78/61/72/1066786172.db2.gz BSNOQOYYNUUEKJ-JOCHJYFZSA-N 0 0 474.055 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492665383 1066786578 /nfs/dbraw/zinc/78/65/78/1066786578.db2.gz GYKPYDVZGOTHKQ-AVRDEDQJSA-N 0 0 454.644 4.507 20 0 JJADRN CN(C)c1cccc2sc(C(=O)N(CCO)Cc3cc(Br)ccc3F)cc21 ZINC001447276067 1066786629 /nfs/dbraw/zinc/78/66/29/1066786629.db2.gz IIBGDKZGFWDWHR-UHFFFAOYSA-N 0 0 451.361 4.504 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccco3)n2CCCc2ccnc(C(C)(C)C)n2)cs1 ZINC001492665340 1066786668 /nfs/dbraw/zinc/78/66/68/1066786668.db2.gz FNWGEFMRBUVCOZ-UHFFFAOYSA-N 0 0 465.627 4.584 20 0 JJADRN CC(C)(CCC(=O)NC1(CO)CCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447275640 1066786694 /nfs/dbraw/zinc/78/66/94/1066786694.db2.gz SCBWQFKQQUJXMR-UHFFFAOYSA-N 0 0 450.579 4.505 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492665384 1066786859 /nfs/dbraw/zinc/78/68/59/1066786859.db2.gz GYKPYDVZGOTHKQ-GCJKJVERSA-N 0 0 454.644 4.507 20 0 JJADRN CN(Cc1ccc(Cl)c(F)c1)C(=O)CCC(=O)c1ccc(I)cc1 ZINC001447276207 1066786845 /nfs/dbraw/zinc/78/68/45/1066786845.db2.gz JTPHUXLWLCGSQD-UHFFFAOYSA-N 0 0 459.686 4.705 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001492665491 1066787253 /nfs/dbraw/zinc/78/72/53/1066787253.db2.gz KPVDJUPDZDICKC-UHFFFAOYSA-N 0 0 466.586 4.640 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@H]2CCOC[C@H]2C)cs1 ZINC001492665551 1066787434 /nfs/dbraw/zinc/78/74/34/1066787434.db2.gz NAZNNUSLVQNQPV-CRAIPNDOSA-N 0 0 477.581 4.544 20 0 JJADRN O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N(CCO)Cc1cc(Br)ccc1F ZINC001447277391 1066787255 /nfs/dbraw/zinc/78/72/55/1066787255.db2.gz NBXAWXBDBHNWEQ-MRXNPFEDSA-N 0 0 452.217 4.639 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457201818 1066787650 /nfs/dbraw/zinc/78/76/50/1066787650.db2.gz SAMRHBVRHSYFMV-RTWAWAEBSA-N 0 0 452.551 4.544 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cc(Cl)c(F)cc3Cl)CCCC2)cc1OC ZINC001457202372 1066787674 /nfs/dbraw/zinc/78/76/74/1066787674.db2.gz OQPHCKZFGAOGBA-UHFFFAOYSA-N 0 0 455.313 4.831 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CCC[C@H](O)C2)cs1 ZINC001492665662 1066787678 /nfs/dbraw/zinc/78/76/78/1066787678.db2.gz QPGGYEYSUIRNPV-PXNSSMCTSA-N 0 0 490.471 4.584 20 0 JJADRN Cc1nc(NC(=O)CCCCc2nc3ccccc3s2)ccc1I ZINC001457201777 1066787720 /nfs/dbraw/zinc/78/77/20/1066787720.db2.gz FYNLNCJGOZSMJS-UHFFFAOYSA-N 0 0 451.333 4.956 20 0 JJADRN C[C@H]1CCCN(C(=O)CSc2ccc(Br)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457202581 1066787729 /nfs/dbraw/zinc/78/77/29/1066787729.db2.gz SXOVDYWEDZTHGI-YOEHRIQHSA-N 0 0 457.434 4.693 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)cs1 ZINC001492665663 1066787780 /nfs/dbraw/zinc/78/77/80/1066787780.db2.gz QPGGYEYSUIRNPV-XLIONFOSSA-N 0 0 490.471 4.584 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)cs1 ZINC001492665661 1066787857 /nfs/dbraw/zinc/78/78/57/1066787857.db2.gz QPGGYEYSUIRNPV-FXAWDEMLSA-N 0 0 490.471 4.584 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2CCSCC(F)(F)F)cs1 ZINC001492665821 1066787869 /nfs/dbraw/zinc/78/78/69/1066787869.db2.gz AQPSNNPQWGIXBK-UHFFFAOYSA-N 0 0 495.518 4.983 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC34CCCC4)c2)cc1 ZINC001447288607 1066788041 /nfs/dbraw/zinc/78/80/41/1066788041.db2.gz ULLCFANXYJNNOB-UHFFFAOYSA-N 0 0 456.608 4.615 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H]2CCCOC2)cs1 ZINC001492665852 1066788399 /nfs/dbraw/zinc/78/83/99/1066788399.db2.gz WFDQSOSHXVYIIJ-MRXNPFEDSA-N 0 0 465.545 4.716 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001457203596 1066788779 /nfs/dbraw/zinc/78/87/79/1066788779.db2.gz AKEGZYCMCMSQEI-KSSFIOAISA-N 0 0 453.967 4.674 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001457203587 1066788793 /nfs/dbraw/zinc/78/87/93/1066788793.db2.gz AKEGZYCMCMSQEI-KBXCAEBGSA-N 0 0 453.967 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2CC[C@H]2CCCCO2)cs1 ZINC001492666005 1066788797 /nfs/dbraw/zinc/78/87/97/1066788797.db2.gz YNSAZEHNMJGGPH-HXUWFJFHSA-N 0 0 490.471 4.992 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2Cc2ncccc2C)cs1 ZINC001492665970 1066789026 /nfs/dbraw/zinc/78/90/26/1066789026.db2.gz YBSXSUJEVXSIHK-UHFFFAOYSA-N 0 0 483.439 4.784 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001447300797 1066789320 /nfs/dbraw/zinc/78/93/20/1066789320.db2.gz HLOLESKZJJWRMD-GDTDKIKOSA-N 0 0 459.571 4.776 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001447300808 1066789402 /nfs/dbraw/zinc/78/94/02/1066789402.db2.gz HLOLESKZJJWRMD-XHVUARLKSA-N 0 0 459.571 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001457204419 1066789251 /nfs/dbraw/zinc/78/92/51/1066789251.db2.gz WKAXHVKBQSBJHK-RLWLMLJZSA-N 0 0 452.599 4.714 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457205146 1066789466 /nfs/dbraw/zinc/78/94/66/1066789466.db2.gz DMNVILBYTAPUPR-DYVFJYSZSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)[C@H]1CNC(=O)OC(C)(C)C ZINC001457207234 1066789856 /nfs/dbraw/zinc/78/98/56/1066789856.db2.gz JGVFELZYJNPWMK-DYVFJYSZSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1nc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)ccc1I ZINC001457206419 1066789984 /nfs/dbraw/zinc/78/99/84/1066789984.db2.gz XCPPUGXZDLWDKV-UHFFFAOYSA-N 0 0 459.209 4.764 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2csc(N3CCCCC3)n2)c1 ZINC001447304837 1066790078 /nfs/dbraw/zinc/79/00/78/1066790078.db2.gz GSIOFEIGPYBBLG-QHCPKHFHSA-N 0 0 451.592 4.518 20 0 JJADRN COC[C@@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccc(C)o1 ZINC001457207804 1066790287 /nfs/dbraw/zinc/79/02/87/1066790287.db2.gz LBNCZWRQWQJTCY-RDTXWAMCSA-N 0 0 455.336 4.655 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001457208477 1066790377 /nfs/dbraw/zinc/79/03/77/1066790377.db2.gz PFUSHSITOGERLX-KSSFIOAISA-N 0 0 453.967 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC(C)(C)c2ccccn2)cs1 ZINC001492666239 1066790341 /nfs/dbraw/zinc/79/03/41/1066790341.db2.gz MAGZUDAGYSIELK-UHFFFAOYSA-N 0 0 468.030 4.691 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)c1C ZINC001447310952 1066790417 /nfs/dbraw/zinc/79/04/17/1066790417.db2.gz WIZNNTIBFHUDQZ-NDEPHWFRSA-N 0 0 458.558 4.612 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC[C@@H]2CCOC2)cs1 ZINC001492666197 1066790483 /nfs/dbraw/zinc/79/04/83/1066790483.db2.gz KTUITUDHZJZRBR-OAHLLOKOSA-N 0 0 483.535 4.855 20 0 JJADRN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457209167 1066790769 /nfs/dbraw/zinc/79/07/69/1066790769.db2.gz RZZKSCWIWIOIOL-BZZMCLGOSA-N 0 0 456.505 4.841 20 0 JJADRN O=C(Nc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC001457209269 1066790861 /nfs/dbraw/zinc/79/08/61/1066790861.db2.gz CXFFBXNTTRDSKD-UHFFFAOYSA-N 0 0 451.429 4.937 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c2=O)n1 ZINC001457210358 1066791200 /nfs/dbraw/zinc/79/12/00/1066791200.db2.gz SRWWRMVDCCCXRO-QGZVFWFLSA-N 0 0 451.592 4.765 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2C[C@H]2CCO[C@@H](C)C2)cs1 ZINC001492666436 1066791387 /nfs/dbraw/zinc/79/13/87/1066791387.db2.gz UBXOIWQVRUOULV-HOCLYGCPSA-N 0 0 464.010 4.878 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2C[C@@H]2CCO[C@H](C)C2)cs1 ZINC001492666434 1066791400 /nfs/dbraw/zinc/79/14/00/1066791400.db2.gz UBXOIWQVRUOULV-GDBMZVCRSA-N 0 0 464.010 4.878 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001457211550 1066791669 /nfs/dbraw/zinc/79/16/69/1066791669.db2.gz XROXGOYXDRFPLL-YLJYHZDGSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001457211540 1066791770 /nfs/dbraw/zinc/79/17/70/1066791770.db2.gz XROXGOYXDRFPLL-XLIONFOSSA-N 0 0 455.555 4.606 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)CCO2)cc1OC ZINC001457213657 1066792148 /nfs/dbraw/zinc/79/21/48/1066792148.db2.gz NCXDVZMYULLPCX-QHCPKHFHSA-N 0 0 455.457 4.988 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492667069 1066792900 /nfs/dbraw/zinc/79/29/00/1066792900.db2.gz SAYPVCRZHVGLGL-OAHLLOKOSA-N 0 0 457.987 4.984 20 0 JJADRN O=C(COCc1nc2ccccc2s1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001457220083 1066792919 /nfs/dbraw/zinc/79/29/19/1066792919.db2.gz ABGCMDBSNBNFRI-UHFFFAOYSA-N 0 0 453.745 4.654 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc(NC(=O)OC(C)(C)C)cc3)n2)n1 ZINC001457220343 1066793160 /nfs/dbraw/zinc/79/31/60/1066793160.db2.gz JKJYNPITFRDJLU-UHFFFAOYSA-N 0 0 455.946 4.815 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)C3)n2Cc2ccccc2C(F)(F)F)cs1 ZINC001492667322 1066793356 /nfs/dbraw/zinc/79/33/56/1066793356.db2.gz CAIAOQDLRCWEMU-UHFFFAOYSA-N 0 0 453.509 4.885 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)Sc2ccccc2)cs1 ZINC001492667325 1066793384 /nfs/dbraw/zinc/79/33/84/1066793384.db2.gz CAXMWDNTORRCFX-FXAWDEMLSA-N 0 0 457.669 4.820 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001457222540 1066793401 /nfs/dbraw/zinc/79/34/01/1066793401.db2.gz IFIQDUCRUSHVAN-DDLUMYACSA-N 0 0 454.876 4.698 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001457222546 1066793683 /nfs/dbraw/zinc/79/36/83/1066793683.db2.gz IFIQDUCRUSHVAN-DORSJAEJSA-N 0 0 454.876 4.698 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329629 1066794047 /nfs/dbraw/zinc/79/40/47/1066794047.db2.gz HIGQJJRSACHWST-WOIUINJBSA-N 0 0 453.583 4.987 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329554 1066794154 /nfs/dbraw/zinc/79/41/54/1066794154.db2.gz HGINYUCBRCQSMM-ISKFKSNPSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492666779 1066794027 /nfs/dbraw/zinc/79/40/27/1066794027.db2.gz HMPYQODSQOUTTI-OXJNMPFZSA-N 0 0 486.642 4.509 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)cc1 ZINC001457225519 1066794153 /nfs/dbraw/zinc/79/41/53/1066794153.db2.gz UVKDTYRRZSELAT-UHFFFAOYSA-N 0 0 450.514 4.777 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)(F)C3)n2CCOC2CCCCCC2)cs1 ZINC001492667577 1066794367 /nfs/dbraw/zinc/79/43/67/1066794367.db2.gz JMGDAAUSJKYZSY-UHFFFAOYSA-N 0 0 453.603 4.855 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492666781 1066794416 /nfs/dbraw/zinc/79/44/16/1066794416.db2.gz HMPYQODSQOUTTI-UZLBHIALSA-N 0 0 486.642 4.509 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCOc4cc(Br)c(Cl)cc43)c2c1 ZINC001457227211 1066794570 /nfs/dbraw/zinc/79/45/70/1066794570.db2.gz GENMTUTWZTVWKM-UHFFFAOYSA-N 0 0 451.679 4.843 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492667962 1066794889 /nfs/dbraw/zinc/79/48/89/1066794889.db2.gz UOBJXCXKTCWMHP-QGZVFWFLSA-N 0 0 474.581 4.514 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 ZINC001457229922 1066795011 /nfs/dbraw/zinc/79/50/11/1066795011.db2.gz KNIZBRCMJOBQPK-UHFFFAOYSA-N 0 0 456.424 4.834 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447335559 1066795308 /nfs/dbraw/zinc/79/53/08/1066795308.db2.gz VKNFNNNIXDBHRM-KBXCAEBGSA-N 0 0 457.384 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3cccs3)n2C[C@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492668244 1066795790 /nfs/dbraw/zinc/79/57/90/1066795790.db2.gz DJSOXTCEECYIBG-QHCPKHFHSA-N 0 0 488.082 4.935 20 0 JJADRN CC(C)(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001447337215 1066795909 /nfs/dbraw/zinc/79/59/09/1066795909.db2.gz ZCJNDPHOYOPWQN-UONOGXRCSA-N 0 0 475.861 4.738 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457234287 1066795898 /nfs/dbraw/zinc/79/58/98/1066795898.db2.gz PRBKAYYCOUSDMN-DENIHFKCSA-N 0 0 452.904 4.703 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457234295 1066796035 /nfs/dbraw/zinc/79/60/35/1066796035.db2.gz PRBKAYYCOUSDMN-SIKLNZKXSA-N 0 0 452.904 4.703 20 0 JJADRN Cc1cccc(Nc2ccccc2C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c1C ZINC001457233455 1066796054 /nfs/dbraw/zinc/79/60/54/1066796054.db2.gz VLILWPNMBKEKHL-UHFFFAOYSA-N 0 0 459.546 4.537 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3cccs3)n2C[C@@H](C)Oc2ccccc2)cs1 ZINC001492668483 1066796361 /nfs/dbraw/zinc/79/63/61/1066796361.db2.gz MOSLVLIWMDVJJU-QGZVFWFLSA-N 0 0 453.637 4.842 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](C)Nc2ccnn21 ZINC001447342738 1066796564 /nfs/dbraw/zinc/79/65/64/1066796564.db2.gz BAXQYFLJKMZBFO-MJBXVCDLSA-N 0 0 451.796 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2C)cs1 ZINC001492668671 1066796767 /nfs/dbraw/zinc/79/67/67/1066796767.db2.gz UBAOEVBBKCZYBS-APWZRJJASA-N 0 0 460.047 4.639 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2C)cs1 ZINC001492668674 1066796844 /nfs/dbraw/zinc/79/68/44/1066796844.db2.gz UBAOEVBBKCZYBS-VQIMIIECSA-N 0 0 460.047 4.639 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2Cc2nc(C(C)(C)C)cs2)cs1 ZINC001492668743 1066796969 /nfs/dbraw/zinc/79/69/69/1066796969.db2.gz WMMDELGIROBIDI-UHFFFAOYSA-N 0 0 473.697 4.572 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)nc2)cs1 ZINC001492669025 1066797488 /nfs/dbraw/zinc/79/74/88/1066797488.db2.gz GTBWETKWCZNTKN-UHFFFAOYSA-N 0 0 497.713 4.565 20 0 JJADRN COc1cc(C=O)ccc1OCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC001447349458 1066797554 /nfs/dbraw/zinc/79/75/54/1066797554.db2.gz RLYYIRVAUDULLO-UHFFFAOYSA-N 0 0 456.857 4.570 20 0 JJADRN CON(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001457244185 1066797555 /nfs/dbraw/zinc/79/75/55/1066797555.db2.gz GBSMJNJRRFXPFO-IBGZPJMESA-N 0 0 452.523 4.713 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001457244704 1066797672 /nfs/dbraw/zinc/79/76/72/1066797672.db2.gz KCGOPATYTJVLOP-GFCCVEGCSA-N 0 0 452.502 4.548 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[C@]1(CO)c1ccccc1 ZINC001457245951 1066797685 /nfs/dbraw/zinc/79/76/85/1066797685.db2.gz HYWSWMHWVYWXTI-QHCPKHFHSA-N 0 0 453.336 4.760 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CCc2cc3ccccc3[nH]2)cs1 ZINC001492669491 1066798096 /nfs/dbraw/zinc/79/80/96/1066798096.db2.gz XOYSTJKFEFYQQN-UHFFFAOYSA-N 0 0 452.628 4.609 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001447359919 1066798167 /nfs/dbraw/zinc/79/81/67/1066798167.db2.gz IROZCQUDPASABO-HXUWFJFHSA-N 0 0 453.420 4.886 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)ccc2C)cc1 ZINC001447360300 1066798176 /nfs/dbraw/zinc/79/81/76/1066798176.db2.gz NHUUBTRAHKCMTP-QGZVFWFLSA-N 0 0 450.560 4.964 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)C[C@H](C)c1ccc(F)c(Br)c1)C(F)(F)F ZINC001457263014 1066798841 /nfs/dbraw/zinc/79/88/41/1066798841.db2.gz GFXQQLNAKNQCOA-XYZCENFISA-N 0 0 450.274 4.852 20 0 JJADRN COCc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)o1 ZINC001447361046 1066798751 /nfs/dbraw/zinc/79/87/51/1066798751.db2.gz JEKRORAVFCXBCV-JOCHJYFZSA-N 0 0 454.548 4.513 20 0 JJADRN C[C@H]1CN(C(=O)c2ccn(CCC(F)(F)F)n2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457264807 1066799137 /nfs/dbraw/zinc/79/91/37/1066799137.db2.gz GRPRZPWHCYBNDQ-KRWDZBQOSA-N 0 0 456.468 4.665 20 0 JJADRN CC[C@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl ZINC001457264441 1066799284 /nfs/dbraw/zinc/79/92/84/1066799284.db2.gz HDNUHYWCXDRVGD-INIZCTEOSA-N 0 0 453.004 4.682 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)c1ccc(OC)c(OC)c1 ZINC001447364061 1066799329 /nfs/dbraw/zinc/79/93/29/1066799329.db2.gz PFPLUASUOWRRRB-MOPGFXCFSA-N 0 0 476.568 4.789 20 0 JJADRN C[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001457268112 1066799613 /nfs/dbraw/zinc/79/96/13/1066799613.db2.gz RGHPJTNIYPPPNP-HXUWFJFHSA-N 0 0 458.583 4.819 20 0 JJADRN Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492670133 1066799655 /nfs/dbraw/zinc/79/96/55/1066799655.db2.gz OPOPAABVGBCQOW-UYAOXDASSA-N 0 0 479.572 4.926 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492670264 1066799716 /nfs/dbraw/zinc/79/97/16/1066799716.db2.gz QCDJKKLOZLEKMM-UHFFFAOYSA-N 0 0 476.691 4.906 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2C[C@@H](F)c2ccc(Br)cc2)CCO1 ZINC001546089234 1066799715 /nfs/dbraw/zinc/79/97/15/1066799715.db2.gz KLVGSQLNCDRKII-XMSQKQJNSA-N 0 0 474.378 4.819 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994991 1066799723 /nfs/dbraw/zinc/79/97/23/1066799723.db2.gz KHRXVRRBKVKXOR-FGZHOGPDSA-N 0 0 485.673 4.618 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC001447369044 1066800248 /nfs/dbraw/zinc/80/02/48/1066800248.db2.gz WDEBRQTXFSRVJU-GCJKJVERSA-N 0 0 453.366 4.583 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001447368107 1066800262 /nfs/dbraw/zinc/80/02/62/1066800262.db2.gz JJHFYMXBLMYCSC-UHFFFAOYSA-N 0 0 452.923 4.592 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)Oc1ccccc1F ZINC001545995057 1066800724 /nfs/dbraw/zinc/80/07/24/1066800724.db2.gz LNCMYYOFUKLCPJ-MRXNPFEDSA-N 0 0 472.527 4.757 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1nnc(C2CCC2)[nH]1 ZINC001447377527 1066801315 /nfs/dbraw/zinc/80/13/15/1066801315.db2.gz FZVRHPMGOCMCQC-UHFFFAOYSA-N 0 0 452.506 4.972 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H](F)c2ccc(Br)cc2)cs1 ZINC001492671007 1066801261 /nfs/dbraw/zinc/80/12/61/1066801261.db2.gz OIPNLUDFTOEALH-CKFHNAJUSA-N 0 0 494.434 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492670995 1066801354 /nfs/dbraw/zinc/80/13/54/1066801354.db2.gz OFTZXZIUURAZFP-ROUUACIJSA-N 0 0 469.655 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCCSCC(C)C)cs1 ZINC001492671413 1066801935 /nfs/dbraw/zinc/80/19/35/1066801935.db2.gz WPXZJIAUHHXREU-YOEHRIQHSA-N 0 0 477.622 4.569 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc3[nH]cc(I)c3c2)c2ncccc12 ZINC001447383683 1066802045 /nfs/dbraw/zinc/80/20/45/1066802045.db2.gz ALYZBDTZJRDAOF-UHFFFAOYSA-N 0 0 457.271 4.972 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001545995221 1066802112 /nfs/dbraw/zinc/80/21/12/1066802112.db2.gz OJHXIPGOZRHNOE-LJQANCHMSA-N 0 0 489.636 4.921 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545995224 1066802187 /nfs/dbraw/zinc/80/21/87/1066802187.db2.gz OJMTVRGTOMUDPW-PMACEKPBSA-N 0 0 475.609 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCC2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001457278813 1066802620 /nfs/dbraw/zinc/80/26/20/1066802620.db2.gz FSDWVQJDCUJNDG-UHFFFAOYSA-N 0 0 453.624 4.968 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001457278418 1066802686 /nfs/dbraw/zinc/80/26/86/1066802686.db2.gz MZEYLJPUBJSIBF-UHFFFAOYSA-N 0 0 457.255 4.964 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H](C)c1cc3ccccc3o1)CCO2 ZINC001457281150 1066803167 /nfs/dbraw/zinc/80/31/67/1066803167.db2.gz ANTCNCVRGFVHJH-ZDUSSCGKSA-N 0 0 458.308 4.507 20 0 JJADRN CCc1ccc(-c2nc(C(=O)Nc3cc4c(cc3Br)NC(=O)CO4)cs2)cc1 ZINC001457280473 1066803242 /nfs/dbraw/zinc/80/32/42/1066803242.db2.gz UJQFAOFLRWPJNH-UHFFFAOYSA-N 0 0 458.337 4.718 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC001457280424 1066803276 /nfs/dbraw/zinc/80/32/76/1066803276.db2.gz SUZAIKLEFWZHIY-UHFFFAOYSA-N 0 0 454.280 4.528 20 0 JJADRN C[C@@](O)(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)C(F)(F)F ZINC001447396969 1066803350 /nfs/dbraw/zinc/80/33/50/1066803350.db2.gz ZUAJCWSWAGQUQE-XMMPIXPASA-N 0 0 457.496 4.764 20 0 JJADRN Cc1cc(C)cc(N(CCC(=O)NCC2(C)CC2)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC001457285894 1066804070 /nfs/dbraw/zinc/80/40/70/1066804070.db2.gz GNQLQFMRYYPHTM-UHFFFAOYSA-N 0 0 450.604 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001492672277 1066804410 /nfs/dbraw/zinc/80/44/10/1066804410.db2.gz RHZPGWIFKLHECZ-QRVBRYPASA-N 0 0 471.696 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](c4ccccc4)C3)n2CCCC(F)(F)F)cs1 ZINC001492672685 1066804432 /nfs/dbraw/zinc/80/44/32/1066804432.db2.gz WUVGZWRMQZTZME-BEFAXECRSA-N 0 0 465.545 4.943 20 0 JJADRN Cc1nc(Cc2nnc(N3Cc4ccccc4[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492672556 1066804441 /nfs/dbraw/zinc/80/44/41/1066804441.db2.gz UTWBSZBSWPKGSD-MRXNPFEDSA-N 0 0 468.627 4.582 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447402382 1066804522 /nfs/dbraw/zinc/80/45/22/1066804522.db2.gz OVIGNEIHIHBMHB-UHFFFAOYSA-N 0 0 458.183 4.874 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1Cc2ccc(Br)cc2C1)Cc1ccccc1 ZINC001447404167 1066804619 /nfs/dbraw/zinc/80/46/19/1066804619.db2.gz AERTWTUWEKOCDO-FQEVSTJZSA-N 0 0 459.384 4.817 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC001447403803 1066804728 /nfs/dbraw/zinc/80/47/28/1066804728.db2.gz DBWUANNMEKAWSQ-MHECFPHRSA-N 0 0 452.576 4.510 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2ccc(OCC(F)(F)F)nc2)cs1 ZINC001492672799 1066804982 /nfs/dbraw/zinc/80/49/82/1066804982.db2.gz YGLYZCDMQKVIJH-KRWDZBQOSA-N 0 0 494.587 4.891 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2CCCC(F)(F)F)cs1 ZINC001492672693 1066805040 /nfs/dbraw/zinc/80/50/40/1066805040.db2.gz WUVGZWRMQZTZME-KXBFYZLASA-N 0 0 465.545 4.943 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1Cc2ccc(Br)cc2C1 ZINC001447408240 1066805100 /nfs/dbraw/zinc/80/51/00/1066805100.db2.gz IRSQXVOXCJUWQI-UHFFFAOYSA-N 0 0 453.027 4.924 20 0 JJADRN CCC1(CC)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCS1 ZINC001447407727 1066805301 /nfs/dbraw/zinc/80/53/01/1066805301.db2.gz YJGUKCHNCKNTCO-LJQANCHMSA-N 0 0 454.636 4.835 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492673080 1066805475 /nfs/dbraw/zinc/80/54/75/1066805475.db2.gz LTSCZHKIMWIIEL-AEFFLSMTSA-N 0 0 474.675 4.564 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001457294314 1066805683 /nfs/dbraw/zinc/80/56/83/1066805683.db2.gz FAGIWYQCIVNNCA-NRFANRHFSA-N 0 0 453.583 4.607 20 0 JJADRN COc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)c(OC2CCCC2)c1 ZINC001457295762 1066805756 /nfs/dbraw/zinc/80/57/56/1066805756.db2.gz KLXANSQKOGAYHM-UHFFFAOYSA-N 0 0 458.599 4.860 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001457294326 1066805769 /nfs/dbraw/zinc/80/57/69/1066805769.db2.gz FAGIWYQCIVNNCA-OAQYLSRUSA-N 0 0 453.583 4.607 20 0 JJADRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cn(CCc2ccccc2)nn1 ZINC001457296265 1066806298 /nfs/dbraw/zinc/80/62/98/1066806298.db2.gz QOJKTUPACZDUIB-HNNXBMFYSA-N 0 0 455.349 4.886 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCc2cc(Cl)ccc2C1)NC(=O)OC(C)(C)C ZINC001545995503 1066806499 /nfs/dbraw/zinc/80/64/99/1066806499.db2.gz UEZKUPWLZXBWFS-HXUWFJFHSA-N 0 0 462.038 4.996 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1 ZINC001457301763 1066806879 /nfs/dbraw/zinc/80/68/79/1066806879.db2.gz UJPLXLFVFCEUAS-KRWDZBQOSA-N 0 0 459.589 4.618 20 0 JJADRN CSc1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1Br ZINC001447422472 1066806962 /nfs/dbraw/zinc/80/69/62/1066806962.db2.gz ZGUSDGMMFNNKSR-FQEVSTJZSA-N 0 0 455.418 4.644 20 0 JJADRN COc1cc(C)c(Br)cc1NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447416660 1066807014 /nfs/dbraw/zinc/80/70/14/1066807014.db2.gz VMXRAXKMMGPJSO-WHLNPGIBSA-N 0 0 453.377 4.908 20 0 JJADRN CCCN(CCc1cccs1)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC001447419398 1066807057 /nfs/dbraw/zinc/80/70/57/1066807057.db2.gz ZJESATFVEYKORV-UHFFFAOYSA-N 0 0 456.612 4.604 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCCCn2cc(Br)cn2)cs1 ZINC001492673706 1066807465 /nfs/dbraw/zinc/80/74/65/1066807465.db2.gz ZXROUKHXRMAPMA-HOTGVXAUSA-N 0 0 492.491 4.556 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)C4(CCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492673958 1066807889 /nfs/dbraw/zinc/80/78/89/1066807889.db2.gz GZLAZWDHYAWMCV-DLBZAZTESA-N 0 0 474.675 4.564 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC001447427750 1066807941 /nfs/dbraw/zinc/80/79/41/1066807941.db2.gz QGNQLNKFBPRIMW-UHFFFAOYSA-N 0 0 457.530 4.726 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccccc1 ZINC001545995692 1066808199 /nfs/dbraw/zinc/80/81/99/1066808199.db2.gz XAUJDFHGLNPIOO-IBVKSMDESA-N 0 0 450.631 4.546 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492674224 1066808577 /nfs/dbraw/zinc/80/85/77/1066808577.db2.gz NJENXTQRYOUBQS-PFRQMTDMSA-N 0 0 474.675 4.514 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H]3C)n2Cc2ccc(I)cc2)cs1 ZINC001492674326 1066808587 /nfs/dbraw/zinc/80/85/87/1066808587.db2.gz QDKIWUOECOKXKX-ZIAGYGMSSA-N 0 0 493.418 4.521 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492674357 1066809070 /nfs/dbraw/zinc/80/90/70/1066809070.db2.gz RKHJFYKCRYBRHU-OLZOCXBDSA-N 0 0 451.518 4.657 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001447436252 1066809153 /nfs/dbraw/zinc/80/91/53/1066809153.db2.gz QJQZODCGTNPTLC-IEZKXTBUSA-N 0 0 451.607 4.966 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001447436263 1066809296 /nfs/dbraw/zinc/80/92/96/1066809296.db2.gz QJQZODCGTNPTLC-TUSQITKMSA-N 0 0 451.607 4.966 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)Nc2ccc(F)cc2I)co1 ZINC001457318317 1066809324 /nfs/dbraw/zinc/80/93/24/1066809324.db2.gz VKCISEZNDYKUNM-ALCCZGGFSA-N 0 0 457.239 4.631 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2Cc2cc(COC(C)(C)C)on2)cs1 ZINC001492674740 1066809598 /nfs/dbraw/zinc/80/95/98/1066809598.db2.gz WPSRNEKEBBJKKT-SFHVURJKSA-N 0 0 472.659 4.858 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)C4(CCC4)C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492674937 1066809621 /nfs/dbraw/zinc/80/96/21/1066809621.db2.gz YLFDALQECRZWNR-QGZVFWFLSA-N 0 0 474.675 4.517 20 0 JJADRN Nc1cc(F)c(Br)cc1C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC001447442540 1066809702 /nfs/dbraw/zinc/80/97/02/1066809702.db2.gz BZIRZHRXUNOKTJ-UHFFFAOYSA-N 0 0 454.137 4.862 20 0 JJADRN C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCO[C@H]1C1CC1 ZINC001447438442 1066809800 /nfs/dbraw/zinc/80/98/00/1066809800.db2.gz RCZASEBDFFYHMP-REWPJTCUSA-N 0 0 457.368 4.636 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCO1 ZINC001546089868 1066809957 /nfs/dbraw/zinc/80/99/57/1066809957.db2.gz XWQWCHJNCKNUNF-UGKGYDQZSA-N 0 0 463.479 4.967 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001447447815 1066810301 /nfs/dbraw/zinc/81/03/01/1066810301.db2.gz RGKDSQNXTATMNR-KGVIQGDOSA-N 0 0 454.567 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cc(O)ccc2C1)c1cccc(C(F)(F)F)c1 ZINC001457324585 1066810324 /nfs/dbraw/zinc/81/03/24/1066810324.db2.gz HPEJJAIAUXYLKN-IBGZPJMESA-N 0 0 450.457 4.562 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F ZINC001447447410 1066810396 /nfs/dbraw/zinc/81/03/96/1066810396.db2.gz PLBMGZGUXSRPRQ-VBKFSLOCSA-N 0 0 458.534 4.645 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001457324288 1066810362 /nfs/dbraw/zinc/81/03/62/1066810362.db2.gz LNAXLIMIVXBDES-DYVFJYSZSA-N 0 0 458.402 4.825 20 0 JJADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N(CC(F)F)c1ccccc1 ZINC001457325856 1066810372 /nfs/dbraw/zinc/81/03/72/1066810372.db2.gz ICEBEWQBEVGLOE-UHFFFAOYSA-N 0 0 456.942 4.817 20 0 JJADRN O=C(c1nn(-c2cccc(Br)c2)c2c1CCC2)N(CCC(F)(F)F)CC1CC1 ZINC001457325843 1066810450 /nfs/dbraw/zinc/81/04/50/1066810450.db2.gz IBTZLCCQGUKTPO-UHFFFAOYSA-N 0 0 456.306 4.928 20 0 JJADRN COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC001447445724 1066810500 /nfs/dbraw/zinc/81/05/00/1066810500.db2.gz AHASUVHDCWRMEF-LJQANCHMSA-N 0 0 455.514 4.582 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)cs1 ZINC001492675369 1066810784 /nfs/dbraw/zinc/81/07/84/1066810784.db2.gz VVZYAYNNWJPSRF-SXLOBPIMSA-N 0 0 488.702 4.763 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)cs1 ZINC001492675367 1066810841 /nfs/dbraw/zinc/81/08/41/1066810841.db2.gz VVZYAYNNWJPSRF-MISYRCLQSA-N 0 0 488.702 4.763 20 0 JJADRN COc1cc(NC(=O)CNC(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)cc(OC)c1 ZINC001457331565 1066811334 /nfs/dbraw/zinc/81/13/34/1066811334.db2.gz ABRDPGFZJWDWRQ-IZZDOVSWSA-N 0 0 450.922 4.792 20 0 JJADRN CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cn(-c3ccccc3)nc1C(C)(C)C)C2 ZINC001457331639 1066811347 /nfs/dbraw/zinc/81/13/47/1066811347.db2.gz FMYVVXCWEZDYAU-UHFFFAOYSA-N 0 0 452.599 4.736 20 0 JJADRN CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)COC(c3ccccc3)c3ccccc3)C2)C1 ZINC001457332243 1066811369 /nfs/dbraw/zinc/81/13/69/1066811369.db2.gz HXQJKVQSLBESPN-UHFFFAOYSA-N 0 0 450.579 4.745 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC001457331377 1066811401 /nfs/dbraw/zinc/81/14/01/1066811401.db2.gz ZABFYAYGAKSISH-GFCCVEGCSA-N 0 0 450.766 4.913 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546089487 1066811490 /nfs/dbraw/zinc/81/14/90/1066811490.db2.gz PVQRTMGPDDSLOW-HSZRJFAPSA-N 0 0 465.564 4.533 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OCc4ccccc4F)CC3)n2CCOC(C)(C)C)cs1 ZINC001492675714 1066811469 /nfs/dbraw/zinc/81/14/69/1066811469.db2.gz IBOHRKYOQRAWRQ-UHFFFAOYSA-N 0 0 487.645 4.774 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC001447455081 1066811674 /nfs/dbraw/zinc/81/16/74/1066811674.db2.gz QOYYFBUPPOSACP-QMHKHESXSA-N 0 0 453.539 4.553 20 0 JJADRN O=C([C@H](Oc1ccc(Br)cc1F)c1ccccc1)N1CCc2cc(O)ccc2C1 ZINC001457336202 1066811949 /nfs/dbraw/zinc/81/19/49/1066811949.db2.gz WCFSKIISXPIMEK-JOCHJYFZSA-N 0 0 456.311 4.999 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3cccc4ccc(O)cc43)n2)cc(Cl)c1OC ZINC001545996357 1066812778 /nfs/dbraw/zinc/81/27/78/1066812778.db2.gz RQZATCHAXRLYQO-UHFFFAOYSA-N 0 0 453.882 4.837 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)Oc1ccccc1C(F)(F)F ZINC001457339556 1066812983 /nfs/dbraw/zinc/81/29/83/1066812983.db2.gz SIACNSRKDCAYFI-GOSISDBHSA-N 0 0 450.501 4.955 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)Oc2ccccc2)cs1 ZINC001492676406 1066813220 /nfs/dbraw/zinc/81/32/20/1066813220.db2.gz DVTYAHJBTHAAMA-OAHLLOKOSA-N 0 0 474.428 4.590 20 0 JJADRN COc1ccccc1C1(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)CCC1 ZINC001447480679 1066813393 /nfs/dbraw/zinc/81/33/93/1066813393.db2.gz PASKYVBTSOICCL-UHFFFAOYSA-N 0 0 450.608 4.730 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001457343866 1066813444 /nfs/dbraw/zinc/81/34/44/1066813444.db2.gz RKUDKAUXQNCXHA-UHFFFAOYSA-N 0 0 457.401 4.586 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)COc1ccc(Br)cc1)C[C@H](C)O2 ZINC001457344523 1066813554 /nfs/dbraw/zinc/81/35/54/1066813554.db2.gz KEMBBUWHJBGGPG-LBPRGKRZSA-N 0 0 455.146 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)cs1 ZINC001492676567 1066813673 /nfs/dbraw/zinc/81/36/73/1066813673.db2.gz IZLAJCPVVPTOPS-WMZOPIPTSA-N 0 0 474.675 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492676508 1066813702 /nfs/dbraw/zinc/81/37/02/1066813702.db2.gz HLYHDVNUJSBBJL-ABSDTBQOSA-N 0 0 467.630 4.957 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(c4ccccc4)C3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492676556 1066813771 /nfs/dbraw/zinc/81/37/71/1066813771.db2.gz ISUVFWHWXCXXMH-UHFFFAOYSA-N 0 0 494.665 4.794 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001545996546 1066814013 /nfs/dbraw/zinc/81/40/13/1066814013.db2.gz XRCUYAILUXAIOR-UGKGYDQZSA-N 0 0 452.423 4.960 20 0 JJADRN COc1ccccc1C1(CNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CCC1 ZINC001447484218 1066814050 /nfs/dbraw/zinc/81/40/50/1066814050.db2.gz ZYCJIGIJVODHHJ-UHFFFAOYSA-N 0 0 456.608 4.902 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001457345723 1066814182 /nfs/dbraw/zinc/81/41/82/1066814182.db2.gz QRISXWICSKHPQY-GOSISDBHSA-N 0 0 456.011 4.890 20 0 JJADRN C[C@@H](NC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC001457348030 1066814252 /nfs/dbraw/zinc/81/42/52/1066814252.db2.gz JMUDLWITHJMHEH-RTBURBONSA-N 0 0 453.583 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCc2cccc(F)c2F)cs1 ZINC001492676751 1066814389 /nfs/dbraw/zinc/81/43/89/1066814389.db2.gz NXQNSJBEQNDJPB-HNNXBMFYSA-N 0 0 471.499 4.933 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457356812 1066815811 /nfs/dbraw/zinc/81/58/11/1066815811.db2.gz NIJPMKXGSQPIDT-SFHVURJKSA-N 0 0 453.167 4.901 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCc4sccc4C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492677318 1066815974 /nfs/dbraw/zinc/81/59/74/1066815974.db2.gz CKRYBUQREWBQCK-OAHLLOKOSA-N 0 0 488.683 4.561 20 0 JJADRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001457359227 1066815923 /nfs/dbraw/zinc/81/59/23/1066815923.db2.gz HUMQTZSAZYASAS-NXMSCROESA-N 0 0 451.007 4.959 20 0 JJADRN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001545996800 1066816015 /nfs/dbraw/zinc/81/60/15/1066816015.db2.gz DOAZYODRTMVNJR-ZDUSSCGKSA-N 0 0 469.330 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677762 1066816671 /nfs/dbraw/zinc/81/66/71/1066816671.db2.gz MJSPIUPNLMKEEM-DENIHFKCSA-N 0 0 479.572 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677649 1066816724 /nfs/dbraw/zinc/81/67/24/1066816724.db2.gz JUOHWCXJWQGISY-QUCCMNQESA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677763 1066816815 /nfs/dbraw/zinc/81/68/15/1066816815.db2.gz MJSPIUPNLMKEEM-KNQAVFIVSA-N 0 0 479.572 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3ccco3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492677971 1066817121 /nfs/dbraw/zinc/81/71/21/1066817121.db2.gz OXJITZIHVIHQCR-APWZRJJASA-N 0 0 486.642 4.729 20 0 JJADRN CSc1cc(Br)ccc1C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001457363677 1066817147 /nfs/dbraw/zinc/81/71/47/1066817147.db2.gz KIBKSOKIEDXHAW-UHFFFAOYSA-N 0 0 455.418 4.737 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)NC(=O)OC(C)(C)C ZINC001545996943 1066817342 /nfs/dbraw/zinc/81/73/42/1066817342.db2.gz HGFAWUYNKTWDFF-IBGZPJMESA-N 0 0 489.020 4.758 20 0 JJADRN Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1Br ZINC001457364800 1066817665 /nfs/dbraw/zinc/81/76/65/1066817665.db2.gz PEBSAWMLODBEBI-AOMKIAJQSA-N 0 0 451.405 4.915 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492678242 1066817716 /nfs/dbraw/zinc/81/77/16/1066817716.db2.gz UWNUYABWKOYFBU-KRWDZBQOSA-N 0 0 450.534 4.721 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC2=CCCCC2)cs1 ZINC001492678112 1066817852 /nfs/dbraw/zinc/81/78/52/1066817852.db2.gz GTWNHYHIZJNJNX-NRFANRHFSA-N 0 0 486.686 4.970 20 0 JJADRN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(C)C)NC(=O)OC(C)(C)C ZINC001545996997 1066817898 /nfs/dbraw/zinc/81/78/98/1066817898.db2.gz HYNSQQXBWUMCKR-INIZCTEOSA-N 0 0 451.562 4.543 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C)c(N4CCOC4=O)c3)s2)cc1OC ZINC001457371293 1066818255 /nfs/dbraw/zinc/81/82/55/1066818255.db2.gz JVHUKQGJNUKTSF-UHFFFAOYSA-N 0 0 453.520 4.653 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678438 1066818253 /nfs/dbraw/zinc/81/82/53/1066818253.db2.gz XNKNZWYXXPISRD-QGZVFWFLSA-N 0 0 462.664 4.517 20 0 JJADRN CCc1ccc2c(c1)CN(C(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001457368667 1066818274 /nfs/dbraw/zinc/81/82/74/1066818274.db2.gz FQWXOJSTYYZCQT-QFIPXVFZSA-N 0 0 452.599 4.524 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2C[C@@](C)(O)c2ccccc2Cl)cs1 ZINC001492678452 1066818868 /nfs/dbraw/zinc/81/88/68/1066818868.db2.gz XUOZOLKPANFEIS-WAIKUNEKSA-N 0 0 460.047 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492678642 1066818879 /nfs/dbraw/zinc/81/88/79/1066818879.db2.gz LIIAHILVINDFOE-AWEZNQCLSA-N 0 0 450.534 4.527 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCC(CC(=O)N(C)C)CC2)cc1 ZINC001447528866 1066818904 /nfs/dbraw/zinc/81/89/04/1066818904.db2.gz BKSXXMMPGITBHF-UHFFFAOYSA-N 0 0 458.606 4.741 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cnc1NCc1ccc(Cl)cc1 ZINC001457381061 1066819448 /nfs/dbraw/zinc/81/94/48/1066819448.db2.gz YJKZYVCKGSSMEN-LJQANCHMSA-N 0 0 458.006 4.672 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](Oc4ccccc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492678649 1066819548 /nfs/dbraw/zinc/81/95/48/1066819548.db2.gz LNCRMUNPGJAKFC-LJQANCHMSA-N 0 0 481.544 4.608 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1cc(Br)c(F)cc1Cl ZINC001457379254 1066819592 /nfs/dbraw/zinc/81/95/92/1066819592.db2.gz CCCTVPCPPKNXAZ-UHFFFAOYSA-N 0 0 453.617 4.924 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cnc(Cc3ccccc3)s2)ccn1 ZINC001457387510 1066819988 /nfs/dbraw/zinc/81/99/88/1066819988.db2.gz PZVBMGPKRAPQRI-UHFFFAOYSA-N 0 0 458.543 4.842 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492679143 1066820776 /nfs/dbraw/zinc/82/07/76/1066820776.db2.gz WAAALDVVKAWAJW-PXNSSMCTSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[C@@H](C)c2ccccc2)cs1 ZINC001492679133 1066820805 /nfs/dbraw/zinc/82/08/05/1066820805.db2.gz VWODWQQPPRRJMN-KNQAVFIVSA-N 0 0 480.682 4.569 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1 ZINC001457391156 1066820746 /nfs/dbraw/zinc/82/07/46/1066820746.db2.gz YYDBTTREUGZWNI-UHFFFAOYSA-N 0 0 450.532 4.762 20 0 JJADRN O=C(CSc1ccc(Br)cc1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457390003 1066820896 /nfs/dbraw/zinc/82/08/96/1066820896.db2.gz ZJJRDWNDGDHBQQ-SFHVURJKSA-N 0 0 450.789 4.797 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2C[C@](C)(O)c2ccccc2Cl)cs1 ZINC001492679315 1066821289 /nfs/dbraw/zinc/82/12/89/1066821289.db2.gz ZGUUCEUPTINBJT-QHCPKHFHSA-N 0 0 460.047 4.821 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2CCCC(C)C)cs1 ZINC001492679451 1066821908 /nfs/dbraw/zinc/82/19/08/1066821908.db2.gz DAXUFMGWTGCVFW-UHFFFAOYSA-N 0 0 487.073 4.686 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN([C@@H](C)c4ccc(F)cc4F)CC3)n2CCC(C)(F)F)cs1 ZINC001492680403 1066822475 /nfs/dbraw/zinc/82/24/75/1066822475.db2.gz LWCYDOXVYJBJPA-HNNXBMFYSA-N 0 0 496.578 4.841 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC[C@@H]1c1ccccc1 ZINC001457398868 1066822543 /nfs/dbraw/zinc/82/25/43/1066822543.db2.gz XLKYMYZICXULCJ-BWKNWUBXSA-N 0 0 454.636 4.907 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC001457399965 1066822600 /nfs/dbraw/zinc/82/26/00/1066822600.db2.gz JTZCLOMDSWXDDU-IBGZPJMESA-N 0 0 455.624 4.875 20 0 JJADRN CCC[C@@H](C(=O)N[C@H](CO)C(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447565260 1066822632 /nfs/dbraw/zinc/82/26/32/1066822632.db2.gz ZZXLTRWKPUGYOY-BJKOFHAPSA-N 0 0 452.595 4.559 20 0 JJADRN O=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001447566642 1066822647 /nfs/dbraw/zinc/82/26/47/1066822647.db2.gz YZBRMIBPWVLRLC-LJQANCHMSA-N 0 0 450.844 4.673 20 0 JJADRN COCc1nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cs1 ZINC001447569003 1066823047 /nfs/dbraw/zinc/82/30/47/1066823047.db2.gz APLNOAZASLEMKH-IBGZPJMESA-N 0 0 450.482 4.684 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@](C)(CCc4ccccc4)C3)cc2)CC1 ZINC001457402712 1066823101 /nfs/dbraw/zinc/82/31/01/1066823101.db2.gz WHLUNUKMVDKCMY-SANMLTNESA-N 0 0 454.636 4.592 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001447574574 1066824142 /nfs/dbraw/zinc/82/41/42/1066824142.db2.gz ICYIHLZMMONRLP-HUUCEWRRSA-N 0 0 452.477 4.865 20 0 JJADRN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447574764 1066824209 /nfs/dbraw/zinc/82/42/09/1066824209.db2.gz IJLWYBZSAHOKFF-WAIKUNEKSA-N 0 0 459.512 4.986 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCOc2ccccc2)cs1 ZINC001492681747 1066824311 /nfs/dbraw/zinc/82/43/11/1066824311.db2.gz FVRIHSLNXBCUIH-RUZDIDTESA-N 0 0 469.655 4.744 20 0 JJADRN COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)cc1 ZINC001457411811 1066824870 /nfs/dbraw/zinc/82/48/70/1066824870.db2.gz QHYUAFHJRFGMNG-OAQYLSRUSA-N 0 0 452.551 4.719 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492682421 1066824958 /nfs/dbraw/zinc/82/49/58/1066824958.db2.gz XLASNGFGWDTZOC-LJQANCHMSA-N 0 0 495.571 4.832 20 0 JJADRN O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001447579951 1066824968 /nfs/dbraw/zinc/82/49/68/1066824968.db2.gz OFPICAHYRBXCAL-FQEVSTJZSA-N 0 0 455.283 4.526 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)n2CCSCC(C)C)cs1 ZINC001492682874 1066825433 /nfs/dbraw/zinc/82/54/33/1066825433.db2.gz JOAQKMAVWNWOKW-OAQYLSRUSA-N 0 0 493.649 4.879 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CCSCC(C)C)cs1 ZINC001492682873 1066825456 /nfs/dbraw/zinc/82/54/56/1066825456.db2.gz JOAQKMAVWNWOKW-NRFANRHFSA-N 0 0 493.649 4.879 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC001457414923 1066825881 /nfs/dbraw/zinc/82/58/81/1066825881.db2.gz VSVKLKFNIYOVTE-UHFFFAOYSA-N 0 0 451.567 4.801 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](C)Oc2ccccc2C)cs1 ZINC001492683673 1066826698 /nfs/dbraw/zinc/82/66/98/1066826698.db2.gz FHQLPBXIBFARID-OKZBNKHCSA-N 0 0 457.669 4.740 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001457417751 1066826619 /nfs/dbraw/zinc/82/66/19/1066826619.db2.gz QZUHOEDTRAJLLI-UHFFFAOYSA-N 0 0 457.571 4.880 20 0 JJADRN CCN(C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)[C@@H](COC)Cc1ccccc1 ZINC001457418377 1066826639 /nfs/dbraw/zinc/82/66/39/1066826639.db2.gz XONQRYOGVRIWSV-XMMPIXPASA-N 0 0 456.590 4.816 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@](C)(O)C2CCCCC2)cs1 ZINC001492683953 1066827245 /nfs/dbraw/zinc/82/72/45/1066827245.db2.gz MPOFVTQZPGMMID-REWPJTCUSA-N 0 0 463.717 4.543 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@]3(C)CCO[C@@H]3C)cc2)c1C ZINC001447597506 1066827489 /nfs/dbraw/zinc/82/74/89/1066827489.db2.gz VYPKGTWHUARSNW-CJAUYULYSA-N 0 0 458.624 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2ccc(F)cc2C)cs1 ZINC001492684162 1066827895 /nfs/dbraw/zinc/82/78/95/1066827895.db2.gz SHXXNTRZIPLIGV-NRFANRHFSA-N 0 0 459.660 4.902 20 0 JJADRN CCOCn1nc(C)c(CC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c1C ZINC001457422136 1066827987 /nfs/dbraw/zinc/82/79/87/1066827987.db2.gz LGLZVPLAGKLLQU-UHFFFAOYSA-N 0 0 455.868 4.737 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c2ccccc2)cc1 ZINC001447608362 1066827923 /nfs/dbraw/zinc/82/79/23/1066827923.db2.gz UUCFOORVRMXYRD-JOCHJYFZSA-N 0 0 454.473 4.870 20 0 JJADRN COc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)nc1Br ZINC001447607684 1066827948 /nfs/dbraw/zinc/82/79/48/1066827948.db2.gz NNHUMDRKLJAAOZ-MRXNPFEDSA-N 0 0 457.328 4.660 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)C1 ZINC001447606659 1066828081 /nfs/dbraw/zinc/82/80/81/1066828081.db2.gz LBGJMASGFKLTHD-MHJFOBGBSA-N 0 0 454.571 4.826 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCc2ccc(F)c(F)c2F)cs1 ZINC001492684037 1066828662 /nfs/dbraw/zinc/82/86/62/1066828662.db2.gz PHWUTAKKYOJDPC-IAQYHMDHSA-N 0 0 489.489 4.928 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)C)n3CCSCc3ccccc3)C2)no1 ZINC001492684902 1066829085 /nfs/dbraw/zinc/82/90/85/1066829085.db2.gz LQHQMBBVSHQYPD-OAQYLSRUSA-N 0 0 454.644 4.561 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC001447616220 1066829192 /nfs/dbraw/zinc/82/91/92/1066829192.db2.gz BGMASQCQDMBZFD-HXUWFJFHSA-N 0 0 452.599 4.522 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(F)c3)C2)no1 ZINC001492684904 1066829188 /nfs/dbraw/zinc/82/91/88/1066829188.db2.gz LTEZBNMHQYNVOQ-HXUWFJFHSA-N 0 0 454.594 4.789 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCCC(C)(C)C)C2)no1 ZINC001492685101 1066829204 /nfs/dbraw/zinc/82/92/04/1066829204.db2.gz CDQBTZHBKCSKJZ-KRWDZBQOSA-N 0 0 458.010 4.970 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)c2)cc1 ZINC001457426455 1066829617 /nfs/dbraw/zinc/82/96/17/1066829617.db2.gz PCNDWCZREGLALJ-KDURUIRLSA-N 0 0 450.604 4.963 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)N(C)C3CCC(NC(C)=O)CC3)cc2s1 ZINC001447619835 1066829867 /nfs/dbraw/zinc/82/98/67/1066829867.db2.gz KSLLFLRKASBOCQ-UHFFFAOYSA-N 0 0 458.609 4.629 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3Cl)N(C)C)C2)no1 ZINC001492685160 1066829858 /nfs/dbraw/zinc/82/98/58/1066829858.db2.gz QJMCYUCTZFOOSF-UGKGYDQZSA-N 0 0 486.064 4.583 20 0 JJADRN Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(OC(C)C)CC2)cs1 ZINC001492685661 1066830202 /nfs/dbraw/zinc/83/02/02/1066830202.db2.gz XUWUUJYMAYOEKO-UHFFFAOYSA-N 0 0 482.654 4.549 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc(C)cc2)cc1 ZINC001457427716 1066830274 /nfs/dbraw/zinc/83/02/74/1066830274.db2.gz KVDXXKICDUXYLL-UHFFFAOYSA-N 0 0 454.596 4.757 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 ZINC001457427411 1066830290 /nfs/dbraw/zinc/83/02/90/1066830290.db2.gz IILVNEDHYUDKRM-HXUWFJFHSA-N 0 0 458.599 4.792 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)C3(C)CC(F)(F)C3)CC2)Oc2ccccc21 ZINC001457427718 1066830316 /nfs/dbraw/zinc/83/03/16/1066830316.db2.gz KVSJTCWKXZFWBU-QGZVFWFLSA-N 0 0 450.526 4.832 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CC(C)(C)C(C)C)C2)no1 ZINC001492685777 1066830431 /nfs/dbraw/zinc/83/04/31/1066830431.db2.gz ZBMLUFFOAXSNCF-QFIPXVFZSA-N 0 0 450.631 4.896 20 0 JJADRN CCCc1cc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)no1 ZINC001457428615 1066830453 /nfs/dbraw/zinc/83/04/53/1066830453.db2.gz NNAJAMOBCGBBQM-FQEVSTJZSA-N 0 0 455.555 4.650 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](F)[C@@H](c4ccccc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492686071 1066830748 /nfs/dbraw/zinc/83/07/48/1066830748.db2.gz SBNVMKHSAKGOSL-QZTJIDSGSA-N 0 0 469.508 4.502 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCSCC(F)(F)F)C2)no1 ZINC001492686154 1066830824 /nfs/dbraw/zinc/83/08/24/1066830824.db2.gz UMNBUJVWDZRLCJ-HNNXBMFYSA-N 0 0 484.523 4.530 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCc2c(F)cccc2F)cs1 ZINC001492686004 1066830885 /nfs/dbraw/zinc/83/08/85/1066830885.db2.gz QJOVVVMXNOQXAI-OKILXGFUSA-N 0 0 467.536 4.882 20 0 JJADRN CC(C)(C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC001447624200 1066830772 /nfs/dbraw/zinc/83/07/72/1066830772.db2.gz VOKYXFBTPQLVJA-KRWDZBQOSA-N 0 0 452.505 4.624 20 0 JJADRN C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001457429752 1066830894 /nfs/dbraw/zinc/83/08/94/1066830894.db2.gz PHEWDGXBCOLOKW-GOSISDBHSA-N 0 0 454.617 4.593 20 0 JJADRN CCC1(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC001457432919 1066831520 /nfs/dbraw/zinc/83/15/20/1066831520.db2.gz FUFRTLHUBGFENI-HXUWFJFHSA-N 0 0 458.624 4.592 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC001457436418 1066831832 /nfs/dbraw/zinc/83/18/32/1066831832.db2.gz MPGOOBNQINSMGG-HXUWFJFHSA-N 0 0 451.910 4.836 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC001457436246 1066831975 /nfs/dbraw/zinc/83/19/75/1066831975.db2.gz MEAWOKJGIWDXJP-CYBMUJFWSA-N 0 0 453.341 4.871 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)Nc3cc(C(F)(F)F)cc4c3OCC(=O)N4)cs2)CC1 ZINC001457435883 1066832015 /nfs/dbraw/zinc/83/20/15/1066832015.db2.gz OCPZEASKPQERRE-HAQNSBGRSA-N 0 0 453.486 4.968 20 0 JJADRN C[C@H](C(=O)Nc1ccc(I)cc1O)c1ccc(Br)s1 ZINC001447630243 1066832003 /nfs/dbraw/zinc/83/20/03/1066832003.db2.gz YQPMITFCVJHYBV-ZETCQYMHSA-N 0 0 452.111 4.563 20 0 JJADRN Cc1nc(CCn2c(C(C)C)nnc2N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)cs1 ZINC001492686982 1066832062 /nfs/dbraw/zinc/83/20/62/1066832062.db2.gz QCOOURFAOZPVBD-SFHVURJKSA-N 0 0 498.644 4.880 20 0 JJADRN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001457442727 1066832446 /nfs/dbraw/zinc/83/24/46/1066832446.db2.gz LBVQLWKJTZRBEC-OAQYLSRUSA-N 0 0 456.329 4.985 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2cscn2)cs1 ZINC001492687148 1066832536 /nfs/dbraw/zinc/83/25/36/1066832536.db2.gz UCNPPWPDIVATBU-CQSZACIVSA-N 0 0 458.588 4.658 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2cscn2)cs1 ZINC001492687147 1066832570 /nfs/dbraw/zinc/83/25/70/1066832570.db2.gz UCNPPWPDIVATBU-AWEZNQCLSA-N 0 0 458.588 4.658 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1-c1ccc2c(c1)OCO2 ZINC001457450260 1066833641 /nfs/dbraw/zinc/83/36/41/1066833641.db2.gz XJEPJTKIMGCCGW-UHFFFAOYSA-N 0 0 454.458 4.852 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2n[nH]c(CC)c2-c2ccc3c(c2)OCO3)c1 ZINC001457451235 1066833667 /nfs/dbraw/zinc/83/36/67/1066833667.db2.gz LACIOUVVADBCEI-UHFFFAOYSA-N 0 0 456.886 4.842 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cnn1CCO[C@@H]1CCCCO1 ZINC001447635767 1066833800 /nfs/dbraw/zinc/83/38/00/1066833800.db2.gz QIDJNKIZNXNIDO-XMMPIXPASA-N 0 0 458.578 4.897 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCc2nccs2)cs1 ZINC001492687857 1066834374 /nfs/dbraw/zinc/83/43/74/1066834374.db2.gz SIWFDGFZDJMOFW-UHFFFAOYSA-N 0 0 476.578 4.690 20 0 JJADRN C=CC(=O)N1CCC(C(=O)NCC2(c3cccc(F)c3F)CCCC2)(c2ccccc2)CC1 ZINC001447650014 1066835316 /nfs/dbraw/zinc/83/53/16/1066835316.db2.gz LJNIUQCIXGFPCH-UHFFFAOYSA-N 0 0 452.545 4.639 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cnn(CCC(C)C)c2CC)C1(C)C ZINC001447648726 1066835335 /nfs/dbraw/zinc/83/53/35/1066835335.db2.gz IFEJDJXHUVHPHD-YADARESESA-N 0 0 450.624 4.529 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3c(F)cccc3F)C3CC3)c2)c1 ZINC001447649648 1066835344 /nfs/dbraw/zinc/83/53/44/1066835344.db2.gz KUIFWVISUMFFES-UHFFFAOYSA-N 0 0 456.514 4.879 20 0 JJADRN Cc1noc(C[C@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c2ccccc2)n1 ZINC001447649508 1066835415 /nfs/dbraw/zinc/83/54/15/1066835415.db2.gz ISKLKONWBSFRAI-SFHVURJKSA-N 0 0 455.440 4.809 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N(C)CC2CN(C(=O)OCc3ccccc3)C2)cs1 ZINC001492690504 1066836275 /nfs/dbraw/zinc/83/62/75/1066836275.db2.gz MWXNATOPTSVCNI-UHFFFAOYSA-N 0 0 496.681 4.579 20 0 JJADRN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC001457463441 1066836332 /nfs/dbraw/zinc/83/63/32/1066836332.db2.gz QPAQKDJEXZAWGM-UHFFFAOYSA-N 0 0 454.448 4.813 20 0 JJADRN C[C@@H](NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccc(O)c1 ZINC001447653019 1066836640 /nfs/dbraw/zinc/83/66/40/1066836640.db2.gz FJBCUGSCGDVELZ-CQSZACIVSA-N 0 0 451.573 4.880 20 0 JJADRN COc1ccc(Sc2nsc(NC(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 ZINC001457467173 1066836787 /nfs/dbraw/zinc/83/67/87/1066836787.db2.gz XJYGPJBHKDKQKF-UHFFFAOYSA-N 0 0 450.545 4.924 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001492691377 1066836721 /nfs/dbraw/zinc/83/67/21/1066836721.db2.gz HEKBFXBBSLABBG-HXUWFJFHSA-N 0 0 488.702 4.760 20 0 JJADRN Cc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cc1O ZINC001457466957 1066836799 /nfs/dbraw/zinc/83/67/99/1066836799.db2.gz DMGZMHFKWNKSHZ-UHFFFAOYSA-N 0 0 452.551 4.505 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(F)(F)F)CC2)n[nH]1 ZINC001492691498 1066836857 /nfs/dbraw/zinc/83/68/57/1066836857.db2.gz IQQMHQWEYJDCLN-UHFFFAOYSA-N 0 0 491.562 4.603 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c(Cl)c1 ZINC001447656539 1066837267 /nfs/dbraw/zinc/83/72/67/1066837267.db2.gz OLJZEQNHPQATCC-KRWDZBQOSA-N 0 0 454.792 4.537 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC001447656439 1066837494 /nfs/dbraw/zinc/83/74/94/1066837494.db2.gz QQVPTHVWLJOVFU-HXUWFJFHSA-N 0 0 458.967 4.604 20 0 JJADRN Cc1cccc(F)c1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 ZINC001457468962 1066837499 /nfs/dbraw/zinc/83/74/99/1066837499.db2.gz FGZSDWFUICEHOS-UHFFFAOYSA-N 0 0 454.542 4.939 20 0 JJADRN C[S@@](=O)c1ccc(CNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1 ZINC001457468268 1066837562 /nfs/dbraw/zinc/83/75/62/1066837562.db2.gz RTYXSERDDWVAAB-RBTNQOKQSA-N 0 0 458.377 4.623 20 0 JJADRN Cc1nc(CCn2c(N(C)Cc3ccccc3Cl)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001492691857 1066837589 /nfs/dbraw/zinc/83/75/89/1066837589.db2.gz KRZCPTOVVPTJQN-HSZRJFAPSA-N 0 0 476.046 4.616 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)cs1 ZINC001492692003 1066837596 /nfs/dbraw/zinc/83/75/96/1066837596.db2.gz QXTFXZOEZLJMTC-FQEVSTJZSA-N 0 0 461.632 4.582 20 0 JJADRN COc1cccc([C@H](NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)c2cc(F)ccc2OC)c1 ZINC001457469360 1066837568 /nfs/dbraw/zinc/83/75/68/1066837568.db2.gz AMLCTZUUMLJIOC-RDGATRHJSA-N 0 0 451.494 4.530 20 0 JJADRN COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001457469684 1066837897 /nfs/dbraw/zinc/83/78/97/1066837897.db2.gz KMAQIXLQMXDBSS-VGOFRKELSA-N 0 0 452.551 4.655 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cs1 ZINC001447657249 1066837973 /nfs/dbraw/zinc/83/79/73/1066837973.db2.gz QIQLJFLJWYUFAU-NBGIEHNGSA-N 0 0 456.558 4.957 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC[S@]1=O ZINC001447662812 1066838487 /nfs/dbraw/zinc/83/84/87/1066838487.db2.gz JNNOIGOMHCTGKT-CAMPQQCRSA-N 0 0 454.379 4.621 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c(Br)cc1F ZINC001457471418 1066838443 /nfs/dbraw/zinc/83/84/43/1066838443.db2.gz ZWKVIFVBUUBTGF-UHFFFAOYSA-N 0 0 451.764 4.865 20 0 JJADRN Cc1noc([C@H](OC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c2ccccc2)n1 ZINC001457474567 1066839064 /nfs/dbraw/zinc/83/90/64/1066839064.db2.gz FCVNIVGBRUJTLN-LJQANCHMSA-N 0 0 453.296 4.581 20 0 JJADRN CC[C@@H](OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1c(Cl)cccc1Cl ZINC001457473461 1066839104 /nfs/dbraw/zinc/83/91/04/1066839104.db2.gz BTBJCJGAVFJWKX-LJQANCHMSA-N 0 0 456.391 4.532 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccccc3Cl)n2CCCC(=O)N(C)C)cs1 ZINC001492694112 1066839303 /nfs/dbraw/zinc/83/93/03/1066839303.db2.gz ASQOMCUBXFVIFZ-LJQANCHMSA-N 0 0 459.019 4.573 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2cc(F)ccc2OC)c1 ZINC001457477119 1066839542 /nfs/dbraw/zinc/83/95/42/1066839542.db2.gz PTVHSHVVEDBHSW-QFIPXVFZSA-N 0 0 457.885 4.787 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC001457476745 1066839575 /nfs/dbraw/zinc/83/95/75/1066839575.db2.gz KZIJUUWYXISGDN-HVBVSQOSSA-N 0 0 456.627 4.900 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@H]2C(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC001457476756 1066839580 /nfs/dbraw/zinc/83/95/80/1066839580.db2.gz KZIJUUWYXISGDN-JRBZRFMBSA-N 0 0 456.627 4.900 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)C(C)C)cs1 ZINC001492694141 1066839810 /nfs/dbraw/zinc/83/98/10/1066839810.db2.gz DHZSCOHQEFRLRD-OFNKIYASSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C3CCCC3)n2CCCNC(=O)OC(C)(C)C)cs1 ZINC001492694689 1066840484 /nfs/dbraw/zinc/84/04/84/1066840484.db2.gz KJJUUIMJTAITJM-LJQANCHMSA-N 0 0 460.648 4.957 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001492694964 1066840528 /nfs/dbraw/zinc/84/05/28/1066840528.db2.gz NFMCPPNGRAZETH-AUMHUTNHSA-N 0 0 479.075 4.647 20 0 JJADRN C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001447676053 1066840433 /nfs/dbraw/zinc/84/04/33/1066840433.db2.gz AXCQYQPSNBYXMV-AWEZNQCLSA-N 0 0 458.432 4.935 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc(C)ccc3SC3CCCC3)C2=O)c1 ZINC001457482629 1066840615 /nfs/dbraw/zinc/84/06/15/1066840615.db2.gz XKJYYMURVYECMW-JOCHJYFZSA-N 0 0 454.592 4.582 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)C2=O)c1 ZINC001457482452 1066840701 /nfs/dbraw/zinc/84/07/01/1066840701.db2.gz XEQVMJZOECXGJJ-HJOGWXRNSA-N 0 0 450.579 4.535 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@](C)(O)C2CCCCC2)CC1 ZINC001447683332 1066840805 /nfs/dbraw/zinc/84/08/05/1066840805.db2.gz FSYKPYXJWOBNLM-VECVVNPISA-N 0 0 456.671 4.624 20 0 JJADRN CCCc1c(NC(=O)COc2ccc(C=O)cc2Br)cnn1-c1ccccc1C ZINC001447686161 1066840933 /nfs/dbraw/zinc/84/09/33/1066840933.db2.gz AWQPBLOJBQEPNZ-UHFFFAOYSA-N 0 0 456.340 4.726 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc2c(cncc2Br)s1)c1ccc(Cl)cc1 ZINC001457487951 1066841188 /nfs/dbraw/zinc/84/11/88/1066841188.db2.gz JNGFIAGGPFQEDD-AWEZNQCLSA-N 0 0 453.745 4.746 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC001457488473 1066841235 /nfs/dbraw/zinc/84/12/35/1066841235.db2.gz VWOYWVLFBPNNKV-UHFFFAOYSA-N 0 0 458.967 4.812 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2CCc2nccc(C(F)(F)F)n2)cs1 ZINC001492695335 1066841728 /nfs/dbraw/zinc/84/17/28/1066841728.db2.gz XQCABOHBDGHKIU-MRXNPFEDSA-N 0 0 465.549 4.635 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)CCO2)cc1 ZINC001447688683 1066842088 /nfs/dbraw/zinc/84/20/88/1066842088.db2.gz PISHBROZRGQELM-SANMLTNESA-N 0 0 456.586 4.835 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)nc1C(C)(C)C ZINC001457490882 1066842219 /nfs/dbraw/zinc/84/22/19/1066842219.db2.gz VFYCJUROXDEHIG-UHFFFAOYSA-N 0 0 452.458 4.684 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)c2C(F)(F)F)c1 ZINC001457492823 1066842243 /nfs/dbraw/zinc/84/22/43/1066842243.db2.gz AFZOJFANIOLFNJ-OAHLLOKOSA-N 0 0 455.440 4.664 20 0 JJADRN CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(CSc4ccccc4)cc3)c2)CC1 ZINC001457490875 1066842337 /nfs/dbraw/zinc/84/23/37/1066842337.db2.gz QWKGLCKNCADFRM-UHFFFAOYSA-N 0 0 459.615 4.548 20 0 JJADRN CN(C(=O)COC[C@H]1CCCO1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001457493772 1066842965 /nfs/dbraw/zinc/84/29/65/1066842965.db2.gz VFRWKBJFZJSAPR-CTNGQTDRSA-N 0 0 452.776 4.846 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC001457495216 1066843007 /nfs/dbraw/zinc/84/30/07/1066843007.db2.gz IUSRTYWJZKNSKD-NSHDSACASA-N 0 0 450.720 4.576 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001457498321 1066843477 /nfs/dbraw/zinc/84/34/77/1066843477.db2.gz XZXYHUQKOHQQLS-DMUMMCEESA-N 0 0 454.533 4.953 20 0 JJADRN CC(C)(CC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)NC(=O)OCc1ccccc1 ZINC001457495854 1066843625 /nfs/dbraw/zinc/84/36/25/1066843625.db2.gz YZEUQIPDNCOJFH-UHFFFAOYSA-N 0 0 452.486 4.787 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC001447695026 1066843985 /nfs/dbraw/zinc/84/39/85/1066843985.db2.gz UQUXTFXPNDLVPM-UHFFFAOYSA-N 0 0 452.576 4.537 20 0 JJADRN CCN(Cc1ccccn1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001457499730 1066844223 /nfs/dbraw/zinc/84/42/23/1066844223.db2.gz PLNBNXDMRIMKFA-UHFFFAOYSA-N 0 0 453.955 4.717 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCS(=O)(=O)C1 ZINC001447705270 1066845117 /nfs/dbraw/zinc/84/51/17/1066845117.db2.gz DCDWPYGRRNYNFL-CQSZACIVSA-N 0 0 458.432 4.792 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001457505064 1066845328 /nfs/dbraw/zinc/84/53/28/1066845328.db2.gz PJPUFNZPFQTCLA-WBVHZDCISA-N 0 0 454.368 4.941 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)s1 ZINC001492696106 1066845458 /nfs/dbraw/zinc/84/54/58/1066845458.db2.gz HHUFKXVENNJKMW-DNVCBOLYSA-N 0 0 460.003 4.818 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)s1 ZINC001447708486 1066845683 /nfs/dbraw/zinc/84/56/83/1066845683.db2.gz VZOJPFIJHHAHOR-GFCCVEGCSA-N 0 0 459.399 4.613 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H](C)C2)s1 ZINC001492696212 1066845990 /nfs/dbraw/zinc/84/59/90/1066845990.db2.gz XZHVXNCSFUAPOY-HOCLYGCPSA-N 0 0 476.444 4.924 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)n2)cc1 ZINC001457507874 1066845999 /nfs/dbraw/zinc/84/59/99/1066845999.db2.gz UCWSTGWFHYFGIV-UHFFFAOYSA-N 0 0 450.930 4.725 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)c3cnn(-c4ccc(Br)cc4)c3)c2)n1 ZINC001457508086 1066846017 /nfs/dbraw/zinc/84/60/17/1066846017.db2.gz LMOSUHDCYILENP-UHFFFAOYSA-N 0 0 452.312 4.808 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC001447716227 1066846424 /nfs/dbraw/zinc/84/64/24/1066846424.db2.gz HJLRGTVOOCOYSL-UHFFFAOYSA-N 0 0 451.670 4.726 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCOCC2)s1 ZINC001492696328 1066846550 /nfs/dbraw/zinc/84/65/50/1066846550.db2.gz JYEHUOGJMBDSOF-INIZCTEOSA-N 0 0 459.591 4.775 20 0 JJADRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457508527 1066846644 /nfs/dbraw/zinc/84/66/44/1066846644.db2.gz KEDUZQDOQMVLLV-LJQANCHMSA-N 0 0 451.544 4.807 20 0 JJADRN COc1cccc(C2CCN(C(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)CC2)c1 ZINC001447721490 1066847103 /nfs/dbraw/zinc/84/71/03/1066847103.db2.gz XFYWNPFBNIZFRR-SFHVURJKSA-N 0 0 453.583 4.828 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CCCS2)s1 ZINC001492696616 1066847084 /nfs/dbraw/zinc/84/70/84/1066847084.db2.gz RXERYODLWLQUNI-IBGZPJMESA-N 0 0 481.489 4.733 20 0 JJADRN CC(=O)Nc1ccc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)sc2c1 ZINC001457510832 1066847149 /nfs/dbraw/zinc/84/71/49/1066847149.db2.gz ABMQRFSZLKFKFO-UHFFFAOYSA-N 0 0 458.971 4.823 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447723567 1066847538 /nfs/dbraw/zinc/84/75/38/1066847538.db2.gz XRGPKVKKMFKKGR-FCEWJHQRSA-N 0 0 450.982 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001447723576 1066847577 /nfs/dbraw/zinc/84/75/77/1066847577.db2.gz XRGPKVKKMFKKGR-FRQCXROJSA-N 0 0 450.982 4.910 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)s1 ZINC001447724668 1066847686 /nfs/dbraw/zinc/84/76/86/1066847686.db2.gz CLBXXVDMCPMQMM-JYFHCDHNSA-N 0 0 452.595 4.999 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001447724725 1066847722 /nfs/dbraw/zinc/84/77/22/1066847722.db2.gz MMRMAGSYBBQCQK-NRFANRHFSA-N 0 0 453.926 4.557 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)Cc1sc(SCC(C)C)nc1C ZINC001457514167 1066847854 /nfs/dbraw/zinc/84/78/54/1066847854.db2.gz CHYMPPDUXHLLGT-UHFFFAOYSA-N 0 0 456.033 4.549 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncnn2C(C)(C)C)s1 ZINC001492696732 1066847846 /nfs/dbraw/zinc/84/78/46/1066847846.db2.gz WAGNOTBYDVEBJM-GOSISDBHSA-N 0 0 494.669 4.831 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCc2ccccc21)NC(=O)OC(C)(C)C ZINC001545999730 1066848253 /nfs/dbraw/zinc/84/82/53/1066848253.db2.gz SZRPDRQLHPILCE-OFNKIYASSA-N 0 0 476.625 4.691 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCC[C@H]2C)s1 ZINC001492696804 1066848260 /nfs/dbraw/zinc/84/82/60/1066848260.db2.gz XXMGFILLFIXFRZ-VBURHUQHSA-N 0 0 459.591 4.510 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001492696858 1066848288 /nfs/dbraw/zinc/84/82/88/1066848288.db2.gz ZNJALIQACSUVGD-IBADJEFMSA-N 0 0 479.647 4.506 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)cc1 ZINC001447731025 1066848321 /nfs/dbraw/zinc/84/83/21/1066848321.db2.gz SJMNEIQVLFNGTC-UHFFFAOYSA-N 0 0 452.551 4.739 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)C(=O)OC(C)(C)C)s1 ZINC001492696896 1066848426 /nfs/dbraw/zinc/84/84/26/1066848426.db2.gz AHIVJRQHPGILBY-UHFFFAOYSA-N 0 0 495.653 4.705 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCC3)n2CCNc2ncc(Cl)cc2Cl)s1 ZINC001492697395 1066848862 /nfs/dbraw/zinc/84/88/62/1066848862.db2.gz RCOWUJVMFVJDAT-UHFFFAOYSA-N 0 0 452.415 4.761 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1c(Cl)cc(F)cc1Br ZINC001447733560 1066848903 /nfs/dbraw/zinc/84/89/03/1066848903.db2.gz LPPUJFXUWFVQIC-YLJYHZDGSA-N 0 0 458.730 4.884 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1c(Cl)cc(F)cc1Br ZINC001447733556 1066848909 /nfs/dbraw/zinc/84/89/09/1066848909.db2.gz LPPUJFXUWFVQIC-PXNSSMCTSA-N 0 0 458.730 4.884 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(-c4ccccc4)on3)n2CCCOC(F)(F)F)s1 ZINC001492697184 1066848933 /nfs/dbraw/zinc/84/89/33/1066848933.db2.gz LBBOQTRFURXTEY-UHFFFAOYSA-N 0 0 478.500 4.928 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3nc(Cc4ccccc4)no3)c2C(F)(F)F)cc1 ZINC001457516599 1066848913 /nfs/dbraw/zinc/84/89/13/1066848913.db2.gz KJRHHIVQESKITC-HNNXBMFYSA-N 0 0 455.440 4.664 20 0 JJADRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C(F)(F)c1ccccc1Br ZINC001447740372 1066850108 /nfs/dbraw/zinc/85/01/08/1066850108.db2.gz XBWRLMGBMRTVGZ-AZUAARDMSA-N 0 0 456.302 4.570 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447740250 1066850292 /nfs/dbraw/zinc/85/02/92/1066850292.db2.gz WYASXXDYEWCWMR-OAQYLSRUSA-N 0 0 459.377 4.820 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC001492698192 1066850388 /nfs/dbraw/zinc/85/03/88/1066850388.db2.gz PLNADNOSBDHQEK-UHFFFAOYSA-N 0 0 488.539 4.655 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cs1 ZINC001457521033 1066850841 /nfs/dbraw/zinc/85/08/41/1066850841.db2.gz QBXPVXDCZWUKMF-UHFFFAOYSA-N 0 0 450.347 4.731 20 0 JJADRN CCOC(=O)CN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC001457522855 1066850855 /nfs/dbraw/zinc/85/08/55/1066850855.db2.gz MOXPIVWFONEGJV-UHFFFAOYSA-N 0 0 452.334 4.951 20 0 JJADRN Cc1c(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cnn1-c1ccccc1F ZINC001447740541 1066850921 /nfs/dbraw/zinc/85/09/21/1066850921.db2.gz GDSGOZPAUGUHFZ-UHFFFAOYSA-N 0 0 456.562 4.573 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)s1 ZINC001492698272 1066850894 /nfs/dbraw/zinc/85/08/94/1066850894.db2.gz SGSGZIFYECENFZ-QGZVFWFLSA-N 0 0 467.517 4.780 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001457524047 1066851445 /nfs/dbraw/zinc/85/14/45/1066851445.db2.gz XONLAEXFSZSQGN-UHFFFAOYSA-N 0 0 450.343 4.759 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(C)(C)C)CC1 ZINC001447750234 1066852190 /nfs/dbraw/zinc/85/21/90/1066852190.db2.gz HTXACMLCTIHPQI-GOSISDBHSA-N 0 0 455.462 4.585 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1coc(Sc2ncccn2)n1 ZINC001447753097 1066852980 /nfs/dbraw/zinc/85/29/80/1066852980.db2.gz LOBYINCAIWIAHH-UHFFFAOYSA-N 0 0 454.861 4.750 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Br)cc3)n2CCOC(C)(C)C)s1 ZINC001492698835 1066852976 /nfs/dbraw/zinc/85/29/76/1066852976.db2.gz NSRTUAFBWOOPTG-UHFFFAOYSA-N 0 0 494.459 4.836 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)s1 ZINC001492698837 1066853022 /nfs/dbraw/zinc/85/30/22/1066853022.db2.gz NUNPRCRXHCNYNK-JOCHJYFZSA-N 0 0 490.054 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCNc1nc2ccccc2s1 ZINC001457529601 1066853005 /nfs/dbraw/zinc/85/30/05/1066853005.db2.gz IVPKBKAUSRWDRW-UHOSZYNNSA-N 0 0 458.628 4.783 20 0 JJADRN CC1CC[NH+](Cc2ccc(CNC(=O)c3cc(Br)cc(Cl)c3[O-])cc2)CC1 ZINC001457531173 1066853533 /nfs/dbraw/zinc/85/35/33/1066853533.db2.gz UAVZVSQHUAOAPM-UHFFFAOYSA-N 0 0 451.792 4.970 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H](C)C2)s1 ZINC001492698977 1066853549 /nfs/dbraw/zinc/85/35/49/1066853549.db2.gz SPLZBTKIVLFJFN-QUCCMNQESA-N 0 0 455.628 4.690 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492699246 1066854124 /nfs/dbraw/zinc/85/41/24/1066854124.db2.gz BTGOJDHGMUKFSA-ZFWWWQNUSA-N 0 0 451.518 4.852 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC(=O)N(C)C)CC2)s1 ZINC001492699293 1066854134 /nfs/dbraw/zinc/85/41/34/1066854134.db2.gz DRYROMOZNVQFAW-IBGZPJMESA-N 0 0 496.681 4.543 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)s1 ZINC001492699102 1066854148 /nfs/dbraw/zinc/85/41/48/1066854148.db2.gz YBDVURQXQHZSNL-RCVZYCBYSA-N 0 0 461.676 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001447754953 1066854290 /nfs/dbraw/zinc/85/42/90/1066854290.db2.gz ZQWJYDRHPQXHEX-HNNXBMFYSA-N 0 0 458.908 4.764 20 0 JJADRN CC(C)[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCN1C(=O)OC(C)(C)C ZINC001447756033 1066854343 /nfs/dbraw/zinc/85/43/43/1066854343.db2.gz XOCYLLUUYMODON-MRXNPFEDSA-N 0 0 459.450 4.937 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1OCc1ccccc1 ZINC001457537350 1066854351 /nfs/dbraw/zinc/85/43/51/1066854351.db2.gz VPZVNFKYLDKVAU-QFIPXVFZSA-N 0 0 458.558 4.556 20 0 JJADRN Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001447758912 1066854434 /nfs/dbraw/zinc/85/44/34/1066854434.db2.gz FITYPOCTOGHCGZ-KRWDZBQOSA-N 0 0 456.344 4.698 20 0 JJADRN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c(=O)[nH]1 ZINC001447761611 1066854936 /nfs/dbraw/zinc/85/49/36/1066854936.db2.gz KJWRQLBHWFABFO-QGZVFWFLSA-N 0 0 457.328 4.700 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001457538182 1066854998 /nfs/dbraw/zinc/85/49/98/1066854998.db2.gz YPBKXKNLYMSWCO-IBGZPJMESA-N 0 0 457.412 4.686 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC001447760181 1066855109 /nfs/dbraw/zinc/85/51/09/1066855109.db2.gz HGWXAPFDDPYUPT-CYBMUJFWSA-N 0 0 457.324 4.715 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CCn2cccn2)s1 ZINC001492700071 1066855494 /nfs/dbraw/zinc/85/54/94/1066855494.db2.gz CKUFTSGJKRNCFC-UHFFFAOYSA-N 0 0 492.834 4.507 20 0 JJADRN Cc1ncc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(CC(C)C)C(C)C)s1 ZINC001492699959 1066855560 /nfs/dbraw/zinc/85/55/60/1066855560.db2.gz YQAPOMCMJUWXKB-UHFFFAOYSA-N 0 0 461.035 4.546 20 0 JJADRN CC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)ccc1C ZINC001447767318 1066855623 /nfs/dbraw/zinc/85/56/23/1066855623.db2.gz YLWWEHKXCDNTKH-IBGZPJMESA-N 0 0 454.324 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCCC4(CCCCC4)CC3)ccn2)CC1 ZINC001447763188 1066855831 /nfs/dbraw/zinc/85/58/31/1066855831.db2.gz NPDYLUXYODNWLV-UHFFFAOYSA-N 0 0 456.631 4.715 20 0 JJADRN CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457539272 1066855866 /nfs/dbraw/zinc/85/58/66/1066855866.db2.gz JVQLAUBPMDQEHZ-ZRBLBEILSA-N 0 0 459.428 4.739 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492700268 1066856222 /nfs/dbraw/zinc/85/62/22/1066856222.db2.gz KFEOEJMKFPWISV-NWDGAFQWSA-N 0 0 482.448 4.990 20 0 JJADRN CCOC(C)(C)CNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447777948 1066856432 /nfs/dbraw/zinc/85/64/32/1066856432.db2.gz HERHKEPYVCBGLT-DEOSSOPVSA-N 0 0 450.579 4.721 20 0 JJADRN COc1cccc(OC)c1COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001457542400 1066856477 /nfs/dbraw/zinc/85/64/77/1066856477.db2.gz NXPCMLCECKYXDU-UHFFFAOYSA-N 0 0 451.862 4.515 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCc2nccs2)s1 ZINC001492700705 1066856726 /nfs/dbraw/zinc/85/67/26/1066856726.db2.gz QOEACNQRLZUEME-UHFFFAOYSA-N 0 0 481.470 4.718 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)s1 ZINC001492700438 1066856766 /nfs/dbraw/zinc/85/67/66/1066856766.db2.gz MRFDBYKUSHPCKK-UHFFFAOYSA-N 0 0 455.385 4.552 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001447785907 1066857171 /nfs/dbraw/zinc/85/71/71/1066857171.db2.gz NJDZGCFHODOOKP-SANMLTNESA-N 0 0 450.529 4.502 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447788445 1066857225 /nfs/dbraw/zinc/85/72/25/1066857225.db2.gz YYWQPNHPXSSFEI-LWLIDHTLSA-N 0 0 451.375 4.785 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3F)nnc2N(C)Cc2ccc(Br)o2)s1 ZINC001492700920 1066857268 /nfs/dbraw/zinc/85/72/68/1066857268.db2.gz UCFBFWGIWJKPSD-UHFFFAOYSA-N 0 0 462.348 4.889 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492701420 1066857912 /nfs/dbraw/zinc/85/79/12/1066857912.db2.gz UKHJTJKANLBDIA-LZLYRXPVSA-N 0 0 492.715 4.536 20 0 JJADRN Cn1nc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1NC(=O)OC(C)(C)C ZINC001447792576 1066858155 /nfs/dbraw/zinc/85/81/55/1066858155.db2.gz KGNRURSHNLLDCX-IBGZPJMESA-N 0 0 450.543 4.525 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)c(Cl)c1 ZINC001447791121 1066858458 /nfs/dbraw/zinc/85/84/58/1066858458.db2.gz GHENAXFXIBKJEM-UHFFFAOYSA-N 0 0 459.930 4.929 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCO[C@@H]3CCCC[C@H]3C)CC2)s1 ZINC001492701714 1066858551 /nfs/dbraw/zinc/85/85/51/1066858551.db2.gz CZGHEPWTKCUFDT-DENIHFKCSA-N 0 0 474.719 4.549 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCO[C@H]3CCCC[C@H]3C)CC2)s1 ZINC001492701715 1066858623 /nfs/dbraw/zinc/85/86/23/1066858623.db2.gz CZGHEPWTKCUFDT-KNQAVFIVSA-N 0 0 474.719 4.549 20 0 JJADRN C[C@@H](NC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cn1 ZINC001447793027 1066858964 /nfs/dbraw/zinc/85/89/64/1066858964.db2.gz LJCYBAKHOBUFCC-QGZVFWFLSA-N 0 0 458.990 4.794 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)cc1 ZINC001457552565 1066859285 /nfs/dbraw/zinc/85/92/85/1066859285.db2.gz FPGLNAIUBSXSNE-INIZCTEOSA-N 0 0 459.384 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC001457550463 1066859350 /nfs/dbraw/zinc/85/93/50/1066859350.db2.gz CINPVPPRKXSNEW-RLFYNMQTSA-N 0 0 459.978 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001447795444 1066859648 /nfs/dbraw/zinc/85/96/48/1066859648.db2.gz VSZRNQMFEIENOK-AWEZNQCLSA-N 0 0 454.411 4.541 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001447793971 1066859746 /nfs/dbraw/zinc/85/97/46/1066859746.db2.gz KMOJTTYGMDXAEP-AUSIDOKSSA-N 0 0 452.378 4.690 20 0 JJADRN Cc1cc2cc[nH]c2cc1NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC001447795238 1066859781 /nfs/dbraw/zinc/85/97/81/1066859781.db2.gz NAVBMGBIMLVNCM-UHFFFAOYSA-N 0 0 459.325 4.722 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3ccc(F)cc3)CC2)s1 ZINC001492702038 1066859918 /nfs/dbraw/zinc/85/99/18/1066859918.db2.gz PVUZKMPCCHTXCC-QGZVFWFLSA-N 0 0 456.635 4.606 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(-c4ccccc4Cl)n3CCSC(C)C)CC2)s1 ZINC001492702013 1066859979 /nfs/dbraw/zinc/85/99/79/1066859979.db2.gz OSJHIIFEGJEQPY-UHFFFAOYSA-N 0 0 477.103 4.827 20 0 JJADRN CC[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1)Oc1cccc(Cl)c1 ZINC001457553594 1066860031 /nfs/dbraw/zinc/86/00/31/1066860031.db2.gz YSQQCYHVSVCYQS-IBGZPJMESA-N 0 0 450.000 4.709 20 0 JJADRN Cc1ncc(Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492702432 1066860698 /nfs/dbraw/zinc/86/06/98/1066860698.db2.gz DGAZYWJWASGYEX-QFIPXVFZSA-N 0 0 495.571 4.787 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)Oc2ccc3c(c2)NC(=O)CC3)cc1OCC ZINC001447800057 1066860904 /nfs/dbraw/zinc/86/09/04/1066860904.db2.gz WSMHHPPSDDZYOF-UHFFFAOYSA-N 0 0 459.498 4.819 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC001447799739 1066860997 /nfs/dbraw/zinc/86/09/97/1066860997.db2.gz LJKDBMAYIUQMRG-RDTXWAMCSA-N 0 0 452.311 4.598 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC2CC(F)C2)s1 ZINC001492702786 1066861240 /nfs/dbraw/zinc/86/12/40/1066861240.db2.gz QZCCYUCKLDBAFH-UHFFFAOYSA-N 0 0 480.407 4.617 20 0 JJADRN Cc1ncc(Cn2c(CC3CCCC3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC001492703008 1066861254 /nfs/dbraw/zinc/86/12/54/1066861254.db2.gz ZPRXDSZIRLQSNW-QGZVFWFLSA-N 0 0 488.702 4.954 20 0 JJADRN COC(=O)c1csc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC001457562539 1066862020 /nfs/dbraw/zinc/86/20/20/1066862020.db2.gz IRTBNWDQNPVGAX-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F)O[C@H](C)C2 ZINC001457563217 1066862080 /nfs/dbraw/zinc/86/20/80/1066862080.db2.gz IPQWIVNGNJMNCG-WSQZFFJMSA-N 0 0 452.473 4.709 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)cc1F ZINC001492704178 1066862547 /nfs/dbraw/zinc/86/25/47/1066862547.db2.gz SYZLWPIUHKITQA-KRWDZBQOSA-N 0 0 454.594 4.552 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC(F)F)cn1 ZINC001492703781 1066862557 /nfs/dbraw/zinc/86/25/57/1066862557.db2.gz GANNSSFWPYCWGP-MRXNPFEDSA-N 0 0 485.514 4.586 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001447805003 1066862994 /nfs/dbraw/zinc/86/29/94/1066862994.db2.gz JEJQDJMRXVEUOC-QRWLVFNGSA-N 0 0 453.480 4.732 20 0 JJADRN CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 ZINC001457565298 1066863438 /nfs/dbraw/zinc/86/34/38/1066863438.db2.gz GXRAGLFYZDWKAX-HXUWFJFHSA-N 0 0 450.514 4.554 20 0 JJADRN C[C@@H](CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001447810137 1066863755 /nfs/dbraw/zinc/86/37/55/1066863755.db2.gz UMYUXWMDWDOAHA-NIZGNDASSA-N 0 0 453.464 4.791 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001447810149 1066863814 /nfs/dbraw/zinc/86/38/14/1066863814.db2.gz OJGGERHSWKCGIL-KRWDZBQOSA-N 0 0 452.938 4.789 20 0 JJADRN Cc1nccn1CCCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492704818 1066863853 /nfs/dbraw/zinc/86/38/53/1066863853.db2.gz NUXJRRXCIZVBMX-SIKLNZKXSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001492704557 1066863978 /nfs/dbraw/zinc/86/39/78/1066863978.db2.gz HERGUVZIJDFROM-KRWDZBQOSA-N 0 0 493.475 4.618 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 ZINC001447810987 1066864372 /nfs/dbraw/zinc/86/43/72/1066864372.db2.gz GOSQXFHNSUXFHN-QHCPKHFHSA-N 0 0 458.345 4.993 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492704880 1066864839 /nfs/dbraw/zinc/86/48/39/1066864839.db2.gz PICUUPCKNGICRA-HXUWFJFHSA-N 0 0 454.594 4.853 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492705449 1066864946 /nfs/dbraw/zinc/86/49/46/1066864946.db2.gz GHXCVGZCENLEJO-AUSIDOKSSA-N 0 0 484.620 4.794 20 0 JJADRN O=C(NCCc1ccc(Cl)nc1)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457568684 1066865331 /nfs/dbraw/zinc/86/53/31/1066865331.db2.gz XFXALODZOGRYEJ-UHFFFAOYSA-N 0 0 450.966 4.721 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@@H]1C ZINC001492705509 1066865496 /nfs/dbraw/zinc/86/54/96/1066865496.db2.gz IDFJHJXOUJICIK-INIZCTEOSA-N 0 0 475.460 4.635 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)cn2)c(C)c1 ZINC001447817009 1066865689 /nfs/dbraw/zinc/86/56/89/1066865689.db2.gz WDWSGJVNVYZWLX-UHFFFAOYSA-N 0 0 457.559 4.528 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)NC(=O)OC(C)(C)C ZINC001447825487 1066866360 /nfs/dbraw/zinc/86/63/60/1066866360.db2.gz WZVGZAUKKGYQJO-KRWDZBQOSA-N 0 0 456.425 4.779 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)C1 ZINC001492705895 1066866896 /nfs/dbraw/zinc/86/68/96/1066866896.db2.gz VRGDPTVUJNUYCU-UHFFFAOYSA-N 0 0 483.336 4.677 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706017 1066866939 /nfs/dbraw/zinc/86/69/39/1066866939.db2.gz ZNDYXJVCKINKLE-GOSISDBHSA-N 0 0 472.634 4.874 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 ZINC001492705963 1066866951 /nfs/dbraw/zinc/86/69/51/1066866951.db2.gz YBFIXMUOLHMLPU-UHFFFAOYSA-N 0 0 461.383 4.678 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1c1ccc(C)o1 ZINC001457571589 1066867174 /nfs/dbraw/zinc/86/71/74/1066867174.db2.gz FKARNCJXZKOYQD-ZIAGYGMSSA-N 0 0 456.724 4.700 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1c1ccc(C)o1 ZINC001457571576 1066867214 /nfs/dbraw/zinc/86/72/14/1066867214.db2.gz FKARNCJXZKOYQD-UONOGXRCSA-N 0 0 456.724 4.700 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001447837607 1066867662 /nfs/dbraw/zinc/86/76/62/1066867662.db2.gz MXLVYONSPOEMCU-REWPJTCUSA-N 0 0 457.412 4.744 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1ncccc1F ZINC001447837119 1066867725 /nfs/dbraw/zinc/86/77/25/1066867725.db2.gz MNDHFFVACJCMCX-REWPJTCUSA-N 0 0 455.574 4.528 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1ncccc1F ZINC001447837118 1066867754 /nfs/dbraw/zinc/86/77/54/1066867754.db2.gz MNDHFFVACJCMCX-OFNKIYASSA-N 0 0 455.574 4.528 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001457573361 1066867778 /nfs/dbraw/zinc/86/77/78/1066867778.db2.gz KCQBJTCVWVDJNY-INIZCTEOSA-N 0 0 453.178 4.691 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 ZINC001492706411 1066868401 /nfs/dbraw/zinc/86/84/01/1066868401.db2.gz MIOHGKXDTVJGAB-UHFFFAOYSA-N 0 0 475.062 4.828 20 0 JJADRN Cc1nccn1CCCCn1c(CCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706359 1066868455 /nfs/dbraw/zinc/86/84/55/1066868455.db2.gz KNLPZPAUGRBHKY-UHFFFAOYSA-N 0 0 464.658 4.833 20 0 JJADRN Cc1nccn1CCCCn1c(N(Cc2cccs2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001492706392 1066868514 /nfs/dbraw/zinc/86/85/14/1066868514.db2.gz LUUUKMKMVZAGKX-FQEVSTJZSA-N 0 0 456.660 4.808 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 ZINC001447843726 1066868487 /nfs/dbraw/zinc/86/84/87/1066868487.db2.gz WPLIZWXGUQJSAX-NKKJXINNSA-N 0 0 451.611 4.950 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccn1 ZINC001447844905 1066868500 /nfs/dbraw/zinc/86/85/00/1066868500.db2.gz ZXBZCOYBKHSZTA-BGWNEDDSSA-N 0 0 451.611 4.950 20 0 JJADRN Cc1cc(Br)cnc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001457574807 1066868484 /nfs/dbraw/zinc/86/84/84/1066868484.db2.gz MRCNCIMJPXWFGW-QGZVFWFLSA-N 0 0 452.352 4.797 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)NCc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)c2nc1C ZINC001457575342 1066868524 /nfs/dbraw/zinc/86/85/24/1066868524.db2.gz FWUMEAXVODVNBF-INIZCTEOSA-N 0 0 452.530 4.901 20 0 JJADRN COCc1[nH]nc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1-c1ccc(Cl)cc1 ZINC001457575096 1066868579 /nfs/dbraw/zinc/86/85/79/1066868579.db2.gz MSUICJIEKDJTHC-UHFFFAOYSA-N 0 0 454.958 4.743 20 0 JJADRN COCc1ccc(C(=O)N2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC001447843550 1066868542 /nfs/dbraw/zinc/86/85/42/1066868542.db2.gz SKMYKEXALDDYAU-IRLDBZIGSA-N 0 0 456.583 4.804 20 0 JJADRN Cc1nccn1CCCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C ZINC001492706658 1066868882 /nfs/dbraw/zinc/86/88/82/1066868882.db2.gz VSPXVPCSGLSEKL-OAQYLSRUSA-N 0 0 475.012 4.931 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001492706701 1066868987 /nfs/dbraw/zinc/86/89/87/1066868987.db2.gz XAZXCOUQTHANTK-DHIUTWEWSA-N 0 0 494.688 4.732 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001447850008 1066869856 /nfs/dbraw/zinc/86/98/56/1066869856.db2.gz AUKSRXYXQOGSLZ-SFHVURJKSA-N 0 0 458.274 4.679 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001457579215 1066870186 /nfs/dbraw/zinc/87/01/86/1066870186.db2.gz BBVSLIQSSPXBFP-UHFFFAOYSA-N 0 0 450.844 4.973 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001447856615 1066870270 /nfs/dbraw/zinc/87/02/70/1066870270.db2.gz KDTZBBQOPHQUKT-HXUWFJFHSA-N 0 0 452.320 4.599 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)Nc3ncc(Br)cc3C)ccc21 ZINC001457581098 1066870277 /nfs/dbraw/zinc/87/02/77/1066870277.db2.gz YRVYXHSRYUMGLZ-UHFFFAOYSA-N 0 0 451.324 4.811 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492707268 1066870685 /nfs/dbraw/zinc/87/06/85/1066870685.db2.gz PZCAFEMSXVZNPA-UHFFFAOYSA-N 0 0 450.896 4.893 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492707807 1066871399 /nfs/dbraw/zinc/87/13/99/1066871399.db2.gz IEDFYXNRZQDGPY-HXUWFJFHSA-N 0 0 499.685 4.686 20 0 JJADRN O=C(CCC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)c1ccc(Cl)cc1 ZINC001447866104 1066871466 /nfs/dbraw/zinc/87/14/66/1066871466.db2.gz XHPYPRFXXWTKOO-IBGZPJMESA-N 0 0 454.723 4.805 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C)CC1 ZINC001492707688 1066871487 /nfs/dbraw/zinc/87/14/87/1066871487.db2.gz FLUDPUPEHLAZCL-UHFFFAOYSA-N 0 0 457.420 4.929 20 0 JJADRN Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492707748 1066871720 /nfs/dbraw/zinc/87/17/20/1066871720.db2.gz GQCPHPBSEDNNIH-PMACEKPBSA-N 0 0 485.677 4.613 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447869383 1066872144 /nfs/dbraw/zinc/87/21/44/1066872144.db2.gz OBSDMLOOZNMYCF-WCQYABFASA-N 0 0 459.559 4.698 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492708295 1066872360 /nfs/dbraw/zinc/87/23/60/1066872360.db2.gz WANXCHVUKRVBND-RZUBCFFCSA-N 0 0 485.677 4.613 20 0 JJADRN Nc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(Br)ccc1Br ZINC001447869388 1066872376 /nfs/dbraw/zinc/87/23/76/1066872376.db2.gz OCJCKCHCTBARHJ-UHFFFAOYSA-N 0 0 452.068 4.743 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1 ZINC001447874203 1066872870 /nfs/dbraw/zinc/87/28/70/1066872870.db2.gz UUZFISSQXCGMBE-QMTYFTJSSA-N 0 0 454.455 4.942 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC001447871586 1066872939 /nfs/dbraw/zinc/87/29/39/1066872939.db2.gz WBUOPRRTVQFBIQ-SFHVURJKSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)C1 ZINC001492708820 1066873031 /nfs/dbraw/zinc/87/30/31/1066873031.db2.gz MSOYJGLJCYDANC-FQEVSTJZSA-N 0 0 450.631 4.986 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001492708837 1066873097 /nfs/dbraw/zinc/87/30/97/1066873097.db2.gz NINCTIUBHMQEIU-OAQYLSRUSA-N 0 0 457.022 4.693 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc4cc(Br)ccc4c3)C2)c1 ZINC001457590271 1066873183 /nfs/dbraw/zinc/87/31/83/1066873183.db2.gz RCUYRQDWEHBRCQ-NRFANRHFSA-N 0 0 455.308 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[C@@H]1C1CC1 ZINC001457590203 1066873236 /nfs/dbraw/zinc/87/32/36/1066873236.db2.gz FIJTYNLNMQQUOE-IAGOWNOFSA-N 0 0 450.004 4.787 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC001457590960 1066873336 /nfs/dbraw/zinc/87/33/36/1066873336.db2.gz BUAGQKWMJYTZGQ-HSZRJFAPSA-N 0 0 453.970 4.742 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC001447890289 1066873278 /nfs/dbraw/zinc/87/32/78/1066873278.db2.gz GJFCCFFQZAYQEG-OAQYLSRUSA-N 0 0 452.599 4.579 20 0 JJADRN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CC[C@H](O)C(C)(C)C3)cc12 ZINC001447882785 1066873408 /nfs/dbraw/zinc/87/34/08/1066873408.db2.gz ZZXZQVTXLFMQMX-SFHVURJKSA-N 0 0 452.407 4.994 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)co1 ZINC001447890262 1066873453 /nfs/dbraw/zinc/87/34/53/1066873453.db2.gz GIHGZKSCPVIAOC-UHFFFAOYSA-N 0 0 452.895 4.868 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001447874317 1066873484 /nfs/dbraw/zinc/87/34/84/1066873484.db2.gz WQPJWBYMRFUFIA-MLGOLLRUSA-N 0 0 458.340 4.574 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001457591270 1066873450 /nfs/dbraw/zinc/87/34/50/1066873450.db2.gz HUTATDXOYYAQJV-JTQLQIEISA-N 0 0 457.752 4.978 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492709477 1066873629 /nfs/dbraw/zinc/87/36/29/1066873629.db2.gz KHCCXJKPCCRLCL-YPAWHYETSA-N 0 0 472.678 4.576 20 0 JJADRN Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)nn1-c1ccc(Cl)cc1 ZINC001457594587 1066874142 /nfs/dbraw/zinc/87/41/42/1066874142.db2.gz OZHSGFAWTZGFAO-UHFFFAOYSA-N 0 0 456.333 4.596 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1)c1cccs1 ZINC001447895642 1066874251 /nfs/dbraw/zinc/87/42/51/1066874251.db2.gz AOQDVSUKSIXUEC-HXUWFJFHSA-N 0 0 458.942 4.684 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001492709640 1066874636 /nfs/dbraw/zinc/87/46/36/1066874636.db2.gz OYVFPMLYXRHVHF-WWPVKYPJSA-N 0 0 450.631 4.989 20 0 JJADRN CC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1cc(F)cc(Br)c1 ZINC001447903637 1066874696 /nfs/dbraw/zinc/87/46/96/1066874696.db2.gz NABQVECVTKOZFM-OWSLCNJRSA-N 0 0 455.368 4.944 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001492710350 1066875107 /nfs/dbraw/zinc/87/51/07/1066875107.db2.gz MAKZGZBUISIXCI-OAHLLOKOSA-N 0 0 486.393 4.588 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)Sc4ccccc43)CC2)c(C)c1 ZINC001457597521 1066875266 /nfs/dbraw/zinc/87/52/66/1066875266.db2.gz XJGXRNQTFKNKKQ-UHFFFAOYSA-N 0 0 458.649 4.622 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Cl)c2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001492710325 1066875262 /nfs/dbraw/zinc/87/52/62/1066875262.db2.gz LISDSFYLSDCYBR-UHFFFAOYSA-N 0 0 452.912 4.972 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)N(C)C(=O)OC(C)(C)C ZINC001457603352 1066876119 /nfs/dbraw/zinc/87/61/19/1066876119.db2.gz FHPUKJBDNNGQSB-JTQLQIEISA-N 0 0 457.756 4.687 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001447920778 1066876697 /nfs/dbraw/zinc/87/66/97/1066876697.db2.gz FLTJTXOHSLRKGZ-BGYRXZFFSA-N 0 0 459.587 4.577 20 0 JJADRN Cc1nccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001492711380 1066877141 /nfs/dbraw/zinc/87/71/41/1066877141.db2.gz SGVXYFOZUKFHCY-UGKGYDQZSA-N 0 0 485.677 4.613 20 0 JJADRN CN(C(=O)c1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1)c1ccccc1 ZINC001457608602 1066877377 /nfs/dbraw/zinc/87/73/77/1066877377.db2.gz PRPAGZLAMCKPHD-UHFFFAOYSA-N 0 0 455.489 4.565 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447921642 1066877597 /nfs/dbraw/zinc/87/75/97/1066877597.db2.gz QTNUYFDTPXBDJZ-QHCPKHFHSA-N 0 0 455.558 4.632 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492712351 1066877567 /nfs/dbraw/zinc/87/75/67/1066877567.db2.gz AMSGTEBBRKFRGX-GCJKJVERSA-N 0 0 487.073 4.990 20 0 JJADRN O=C(CCc1cc2ccccc2[nH]c1=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447924329 1066877629 /nfs/dbraw/zinc/87/76/29/1066877629.db2.gz WNRHQACKKGTBEG-DEOSSOPVSA-N 0 0 454.526 4.516 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@H]1CCc2c1cccc2Cl ZINC001447938139 1066878264 /nfs/dbraw/zinc/87/82/64/1066878264.db2.gz IXAONQRLJBGTOT-KRWDZBQOSA-N 0 0 450.888 4.810 20 0 JJADRN Cc1nccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001492712990 1066878384 /nfs/dbraw/zinc/87/83/84/1066878384.db2.gz TUJNJALFIVLGSD-YSIASYRMSA-N 0 0 497.619 4.590 20 0 JJADRN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(F)(F)c1ccc(Br)cc1 ZINC001457611663 1066878631 /nfs/dbraw/zinc/87/86/31/1066878631.db2.gz YTRPPBHUGAROHT-UHFFFAOYSA-N 0 0 451.242 4.529 20 0 JJADRN Cc1sc([C@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)nc1-c1ccc(Cl)cc1 ZINC001457614998 1066879085 /nfs/dbraw/zinc/87/90/85/1066879085.db2.gz MKFQCOVZMZRHCN-LBPRGKRZSA-N 0 0 454.987 4.998 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001546001401 1066879304 /nfs/dbraw/zinc/87/93/04/1066879304.db2.gz MNLZXFBEDWQRAL-NVXWUHKLSA-N 0 0 474.631 4.728 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001546001403 1066879374 /nfs/dbraw/zinc/87/93/74/1066879374.db2.gz MNLZXFBEDWQRAL-WBVHZDCISA-N 0 0 474.631 4.728 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001457615139 1066879773 /nfs/dbraw/zinc/87/97/73/1066879773.db2.gz DJRGDFHHOJOGIM-UHFFFAOYSA-N 0 0 457.777 4.529 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1CCc1nccnc1C ZINC001492713752 1066880144 /nfs/dbraw/zinc/88/01/44/1066880144.db2.gz UTWLTGHCZHVBBK-UHFFFAOYSA-N 0 0 467.371 4.587 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1-c1ccc(Cl)cc1 ZINC001457617574 1066880355 /nfs/dbraw/zinc/88/03/55/1066880355.db2.gz VDHNZUDJYRLFDR-LUVWLHFXSA-N 0 0 459.999 4.513 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Cl)c(Br)c2)c1 ZINC001457617131 1066880393 /nfs/dbraw/zinc/88/03/93/1066880393.db2.gz IRYQYFDPBDEYHC-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492714360 1066880869 /nfs/dbraw/zinc/88/08/69/1066880869.db2.gz HWNPPSPOQRJKDI-HOTGVXAUSA-N 0 0 475.424 4.987 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492713885 1066880942 /nfs/dbraw/zinc/88/09/42/1066880942.db2.gz ZEFXSALSRVEXBB-JKSUJKDBSA-N 0 0 455.404 4.674 20 0 JJADRN CC(C)(C(=O)N1CCN(c2cncc3ccccc32)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447952409 1066881274 /nfs/dbraw/zinc/88/12/74/1066881274.db2.gz JKKUKPUOXAAVCF-QFIPXVFZSA-N 0 0 458.389 4.950 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2cncc3ccccc32)CC1 ZINC001447953067 1066881294 /nfs/dbraw/zinc/88/12/94/1066881294.db2.gz LKVQKLMXMABHMC-UHFFFAOYSA-N 0 0 450.753 4.923 20 0 JJADRN O=C(COc1ccc(I)cc1)NC1(c2cccc(Cl)c2)CCCC1 ZINC001457619018 1066881564 /nfs/dbraw/zinc/88/15/64/1066881564.db2.gz NRKQZEFVKRHORJ-UHFFFAOYSA-N 0 0 455.723 4.909 20 0 JJADRN O=C(C[C@@H]1OCc2cc(Cl)ccc21)Nc1n[nH]c(-c2ccc(Br)cc2F)n1 ZINC001457619096 1066881624 /nfs/dbraw/zinc/88/16/24/1066881624.db2.gz COADCKNTPJXFCY-HNNXBMFYSA-N 0 0 451.683 4.627 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(C)C)CC1 ZINC001492715547 1066881854 /nfs/dbraw/zinc/88/18/54/1066881854.db2.gz BMBMHBBAFOUSQG-UHFFFAOYSA-N 0 0 484.446 4.569 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCSC(C)C)CC1 ZINC001492715881 1066881870 /nfs/dbraw/zinc/88/18/70/1066881870.db2.gz OQQTVNRKIFVVLV-UHFFFAOYSA-N 0 0 479.698 4.809 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(C)(C)C)CC1 ZINC001492716140 1066881937 /nfs/dbraw/zinc/88/19/37/1066881937.db2.gz YSKZLJINXPZBCB-UHFFFAOYSA-N 0 0 454.022 4.850 20 0 JJADRN Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCSC(C)C)CC1 ZINC001492715812 1066882062 /nfs/dbraw/zinc/88/20/62/1066882062.db2.gz LZBFQIOUTOALDS-UHFFFAOYSA-N 0 0 492.480 4.819 20 0 JJADRN CC(C)C(CNC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)C(C)C ZINC001447956691 1066882329 /nfs/dbraw/zinc/88/23/29/1066882329.db2.gz UAMTWLLBZQDMNX-QHCPKHFHSA-N 0 0 459.428 4.894 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1-c1ncco1 ZINC001457621899 1066882760 /nfs/dbraw/zinc/88/27/60/1066882760.db2.gz HLIXLBRKCCKOMN-IBGZPJMESA-N 0 0 454.324 4.656 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc2S1 ZINC001457621193 1066882807 /nfs/dbraw/zinc/88/28/07/1066882807.db2.gz RKEHNAPHTFBHBY-OAHLLOKOSA-N 0 0 451.013 4.656 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1Cl ZINC001492716985 1066883206 /nfs/dbraw/zinc/88/32/06/1066883206.db2.gz GBQMQNKIFFHELP-UHFFFAOYSA-N 0 0 474.371 4.821 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001447961695 1066883316 /nfs/dbraw/zinc/88/33/16/1066883316.db2.gz FGLZGVIATGEGQP-QGZVFWFLSA-N 0 0 454.533 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CCSC2(CCOCC2)C1)CC1CCCCC1 ZINC001447964181 1066883773 /nfs/dbraw/zinc/88/37/73/1066883773.db2.gz NCMSCMPRFLRJEN-HXUWFJFHSA-N 0 0 454.677 4.755 20 0 JJADRN Cc1ccc(CNC(=O)c2nccc3c(Br)cccc32)c(OC[C@H]2CCOC2)c1 ZINC001457623608 1066883840 /nfs/dbraw/zinc/88/38/40/1066883840.db2.gz KIGGTOBUIXOYHE-INIZCTEOSA-N 0 0 455.352 4.651 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(C)C ZINC001492717285 1066883832 /nfs/dbraw/zinc/88/38/32/1066883832.db2.gz PUVVSRGUUZAFSH-KRWDZBQOSA-N 0 0 470.687 4.933 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001457623694 1066884302 /nfs/dbraw/zinc/88/43/02/1066884302.db2.gz LRQYNTVELYMAAH-UHFFFAOYSA-N 0 0 455.507 4.813 20 0 JJADRN O=C(N1CCC(COc2ccccc2C(F)(F)F)CC1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001447967338 1066884377 /nfs/dbraw/zinc/88/43/77/1066884377.db2.gz WQRPDBWCUPLWFZ-NRFANRHFSA-N 0 0 455.517 4.689 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001546001613 1066884959 /nfs/dbraw/zinc/88/49/59/1066884959.db2.gz QLADPMOVABSGHV-JTHBVZDNSA-N 0 0 467.589 4.514 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cccs1 ZINC001492717823 1066885405 /nfs/dbraw/zinc/88/54/05/1066885405.db2.gz XLIAOAVCCSWFDW-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nc(Sc4ccccc4)ns3)C2)c1 ZINC001457628143 1066885384 /nfs/dbraw/zinc/88/53/84/1066885384.db2.gz JRWLRGOLGGSTAE-QGZVFWFLSA-N 0 0 452.605 4.797 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2COCc2ccccc2)c1 ZINC001457629852 1066885624 /nfs/dbraw/zinc/88/56/24/1066885624.db2.gz IPIGJVHJVNPOMR-IBGZPJMESA-N 0 0 452.576 4.733 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@H]1C ZINC001492717978 1066885874 /nfs/dbraw/zinc/88/58/74/1066885874.db2.gz YVNQCXGGFFMPFY-XMSQKQJNSA-N 0 0 464.658 4.902 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC001457631370 1066886724 /nfs/dbraw/zinc/88/67/24/1066886724.db2.gz FRLKLJAYXRYKQM-LPHOPBHVSA-N 0 0 454.571 4.566 20 0 JJADRN O=C(Nc1cc(-c2ccccc2Br)no1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001457631899 1066886986 /nfs/dbraw/zinc/88/69/86/1066886986.db2.gz KRIQTCODGJRDIU-HHHXNRCGSA-N 0 0 459.243 4.984 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1Cc1cc(Br)cs1 ZINC001492718432 1066887142 /nfs/dbraw/zinc/88/71/42/1066887142.db2.gz FTTGOMGSZOGSNI-UHFFFAOYSA-N 0 0 491.484 4.789 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c(OC(C)C)c1 ZINC001457632058 1066887299 /nfs/dbraw/zinc/88/72/99/1066887299.db2.gz OEKZAXCYTZRAAW-HSZRJFAPSA-N 0 0 454.567 4.769 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001492718734 1066887804 /nfs/dbraw/zinc/88/78/04/1066887804.db2.gz QDJXAWWPYWOZGX-ZEQKJWHPSA-N 0 0 464.658 4.501 20 0 JJADRN Cc1nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c2ccccn12 ZINC001447982287 1066887925 /nfs/dbraw/zinc/88/79/25/1066887925.db2.gz KYNWVDGFVICVST-QFIPXVFZSA-N 0 0 451.473 4.620 20 0 JJADRN Cc1ccn2ncc(C(=O)N(Cc3ccccc3)C[C@@H](O)c3cccc(OC(F)F)c3)c2c1 ZINC001447981430 1066888060 /nfs/dbraw/zinc/88/80/60/1066888060.db2.gz JTCZAWITKBAQFP-HSZRJFAPSA-N 0 0 451.473 4.620 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(C)(F)F)c1 ZINC001492719324 1066888332 /nfs/dbraw/zinc/88/83/32/1066888332.db2.gz HPDPIDRMYGOVDU-OAQYLSRUSA-N 0 0 458.557 4.666 20 0 JJADRN CC(C)OC1(CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CCCCC1 ZINC001457636154 1066888468 /nfs/dbraw/zinc/88/84/68/1066888468.db2.gz KDHPJYDGBFWXEF-LTGZKZEYSA-N 0 0 451.596 4.644 20 0 JJADRN O=C(c1csc(NC2CC2)n1)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC001447987199 1066888558 /nfs/dbraw/zinc/88/85/58/1066888558.db2.gz XVLLFRROTFETNK-HXUWFJFHSA-N 0 0 459.518 4.695 20 0 JJADRN O=C(c1csc(NC2CC2)n1)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447987193 1066888608 /nfs/dbraw/zinc/88/86/08/1066888608.db2.gz XVLLFRROTFETNK-FQEVSTJZSA-N 0 0 459.518 4.695 20 0 JJADRN CC(C)OC1(CNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CCCCC1 ZINC001457636160 1066888669 /nfs/dbraw/zinc/88/86/69/1066888669.db2.gz KDHPJYDGBFWXEF-PGMHBOJBSA-N 0 0 451.596 4.644 20 0 JJADRN CCC1(CC)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC001447985899 1066888686 /nfs/dbraw/zinc/88/86/86/1066888686.db2.gz HMEOKNJLTRSRGE-UHFFFAOYSA-N 0 0 459.450 4.568 20 0 JJADRN COc1ccc2c(c1)CCN(C(=O)c1cc(Nc3nccc(C(F)(F)F)n3)ccc1C)CC2 ZINC001448004807 1066889149 /nfs/dbraw/zinc/88/91/49/1066889149.db2.gz CIJBDFIUDPIUEI-UHFFFAOYSA-N 0 0 456.468 4.797 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1 ZINC001457637378 1066889150 /nfs/dbraw/zinc/88/91/50/1066889150.db2.gz XZWHCLSDMACPKA-MRXNPFEDSA-N 0 0 456.539 4.830 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001457640756 1066889215 /nfs/dbraw/zinc/88/92/15/1066889215.db2.gz UFNNSWAONMLLCG-DENIHFKCSA-N 0 0 453.311 4.920 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCSC1(C)C ZINC001492720391 1066889437 /nfs/dbraw/zinc/88/94/37/1066889437.db2.gz NUQNBPYEKYPVCB-GOSISDBHSA-N 0 0 472.634 4.515 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC001457640585 1066889653 /nfs/dbraw/zinc/88/96/53/1066889653.db2.gz BVAFGRVGGRQOPP-RBUKOAKNSA-N 0 0 455.769 4.755 20 0 JJADRN COC(=O)Cn1ncc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1C ZINC001448009128 1066889932 /nfs/dbraw/zinc/88/99/32/1066889932.db2.gz ZRPDSGKSKFGKAB-UHFFFAOYSA-N 0 0 452.561 4.519 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC001457640583 1066889797 /nfs/dbraw/zinc/88/97/97/1066889797.db2.gz BVAFGRVGGRQOPP-OALUTQOASA-N 0 0 455.769 4.755 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492720444 1066890003 /nfs/dbraw/zinc/89/00/03/1066890003.db2.gz PAWSGEJPJVATNM-GCJKJVERSA-N 0 0 487.048 4.721 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1[nH]c2ccccc2c1Br ZINC001448018425 1066890442 /nfs/dbraw/zinc/89/04/42/1066890442.db2.gz FLIASYBOMJGHLJ-LBPRGKRZSA-N 0 0 452.274 4.958 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)C(C)(C)C1(C)C ZINC001448017948 1066890595 /nfs/dbraw/zinc/89/05/95/1066890595.db2.gz DCFDREWEAWEOES-HNNXBMFYSA-N 0 0 454.533 4.794 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492720672 1066890523 /nfs/dbraw/zinc/89/05/23/1066890523.db2.gz XJUJJZVXNNBHSQ-UXHICEINSA-N 0 0 454.594 4.828 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492720881 1066890766 /nfs/dbraw/zinc/89/07/66/1066890766.db2.gz DQKHPABYWPOBQE-INIZCTEOSA-N 0 0 482.938 4.545 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)c1-c1ccc2c(c1)OCO2 ZINC001457654728 1066890954 /nfs/dbraw/zinc/89/09/54/1066890954.db2.gz CBXOACNXDVIVOU-YOEHRIQHSA-N 0 0 458.559 4.636 20 0 JJADRN COc1cc(OC)c(NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)cc1Br ZINC001448022484 1066890882 /nfs/dbraw/zinc/89/08/82/1066890882.db2.gz JHSZIQGDIIWVET-UHFFFAOYSA-N 0 0 458.334 4.522 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)CCCCC1 ZINC001448022624 1066891063 /nfs/dbraw/zinc/89/10/63/1066891063.db2.gz KQSXIAOKMBYSOT-FQEVSTJZSA-N 0 0 452.542 4.730 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001492720957 1066891542 /nfs/dbraw/zinc/89/15/42/1066891542.db2.gz GWISFKGUUVEMLA-STQMWFEESA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001492720902 1066891558 /nfs/dbraw/zinc/89/15/58/1066891558.db2.gz FJQXFPQULVKKKM-CABCVRRESA-N 0 0 457.420 4.731 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC(F)(F)F ZINC001492721022 1066891629 /nfs/dbraw/zinc/89/16/29/1066891629.db2.gz IUSJKDKFCIDRBC-UHFFFAOYSA-N 0 0 477.354 4.556 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C12CCC2 ZINC001457660248 1066892002 /nfs/dbraw/zinc/89/20/02/1066892002.db2.gz YFLLFJDLOQQBGY-NSISKUIASA-N 0 0 453.410 4.652 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc(C)cc3OCC(F)(F)F)cc12 ZINC001457662114 1066892146 /nfs/dbraw/zinc/89/21/46/1066892146.db2.gz HYAOTJYMIHVYKM-UHFFFAOYSA-N 0 0 454.452 4.908 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1 ZINC001492721079 1066892156 /nfs/dbraw/zinc/89/21/56/1066892156.db2.gz LBMBUTCPZMGKPF-UHFFFAOYSA-N 0 0 471.428 4.804 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001457662411 1066892677 /nfs/dbraw/zinc/89/26/77/1066892677.db2.gz VYMOEQVDWPJXLX-BLLLJJGKSA-N 0 0 459.413 4.826 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492721262 1066892758 /nfs/dbraw/zinc/89/27/58/1066892758.db2.gz RBMWWKCDYVZYPG-UHFFFAOYSA-N 0 0 473.478 4.533 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492721456 1066892856 /nfs/dbraw/zinc/89/28/56/1066892856.db2.gz ZJUHMFPTRDLNFU-SFHVURJKSA-N 0 0 471.447 4.979 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCCC1 ZINC001492722292 1066893372 /nfs/dbraw/zinc/89/33/72/1066893372.db2.gz XVKAOMSUHDOUDW-UHFFFAOYSA-N 0 0 485.677 4.562 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001448042381 1066893488 /nfs/dbraw/zinc/89/34/88/1066893488.db2.gz CPIZVXOPEZPQHZ-RTBURBONSA-N 0 0 457.646 4.989 20 0 JJADRN COc1cc(OC)c(NC(=O)Cn2nc(C)c3c2nc(C(C)C)cc3C(F)(F)F)cc1F ZINC001457664338 1066893380 /nfs/dbraw/zinc/89/33/80/1066893380.db2.gz NENGJPSAEFTMDL-UHFFFAOYSA-N 0 0 454.424 4.677 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2Cc3cccc(Br)c3C2)cc1 ZINC001448045210 1066893568 /nfs/dbraw/zinc/89/35/68/1066893568.db2.gz BBMFEISFXNIWJD-UHFFFAOYSA-N 0 0 457.397 4.788 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001492722635 1066893937 /nfs/dbraw/zinc/89/39/37/1066893937.db2.gz JRNUCZQQKUASRI-UHFFFAOYSA-N 0 0 457.003 4.852 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001448050595 1066894018 /nfs/dbraw/zinc/89/40/18/1066894018.db2.gz ABORNDIGCAWXLI-UHFFFAOYSA-N 0 0 454.754 4.588 20 0 JJADRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001448053272 1066894035 /nfs/dbraw/zinc/89/40/35/1066894035.db2.gz SFFBGANDOPAARX-LEWJYISDSA-N 0 0 454.368 4.953 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(F)c(Br)cc1C ZINC001448053707 1066894049 /nfs/dbraw/zinc/89/40/49/1066894049.db2.gz YDNWNLDAAABEMD-KRWDZBQOSA-N 0 0 454.315 4.642 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2cc(F)c(Br)cc2C)c1 ZINC001448050195 1066894055 /nfs/dbraw/zinc/89/40/55/1066894055.db2.gz PWKMOLBNZOSOMZ-UHFFFAOYSA-N 0 0 450.333 4.822 20 0 JJADRN Cc1cc([C@@](C)(O)CNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c(C)o1 ZINC001457670498 1066894359 /nfs/dbraw/zinc/89/43/59/1066894359.db2.gz FMMQTLJSXDTJCU-QFIPXVFZSA-N 0 0 457.577 4.732 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)[nH]c21 ZINC001448059648 1066894580 /nfs/dbraw/zinc/89/45/80/1066894580.db2.gz CHHIIXDGESVAOB-UHFFFAOYSA-N 0 0 450.377 4.758 20 0 JJADRN CO[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1cccc(Cl)c1 ZINC001457671683 1066894866 /nfs/dbraw/zinc/89/48/66/1066894866.db2.gz PLHPLXSXJNXODK-RDPSFJRHSA-N 0 0 450.966 4.849 20 0 JJADRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671296 1066894981 /nfs/dbraw/zinc/89/49/81/1066894981.db2.gz ZUUKCTTWOUCGBJ-SECBINFHSA-N 0 0 457.275 4.872 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(OCCC(C)C)CC2)n(C)n1 ZINC001492724877 1066895392 /nfs/dbraw/zinc/89/53/92/1066895392.db2.gz KSSQFWVUDFOFFO-UHFFFAOYSA-N 0 0 475.012 4.859 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C(C)(C)C)C2)n(C)n1 ZINC001492724888 1066895510 /nfs/dbraw/zinc/89/55/10/1066895510.db2.gz KYDDXEHSYSKEOQ-CQSZACIVSA-N 0 0 463.449 4.732 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC001457672612 1066895426 /nfs/dbraw/zinc/89/54/26/1066895426.db2.gz LSDSLWPTSXQTSY-VLIAUNLRSA-N 0 0 455.357 4.861 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001448067619 1066895634 /nfs/dbraw/zinc/89/56/34/1066895634.db2.gz MLWLFRKUEDBJIA-UHFFFAOYSA-N 0 0 450.942 4.801 20 0 JJADRN CN(C)[C@H](CNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448067236 1066895771 /nfs/dbraw/zinc/89/57/71/1066895771.db2.gz OUPDKEJWBURGPI-JOCHJYFZSA-N 0 0 456.464 4.675 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cc(Cl)ccn2)n(C)n1 ZINC001492725156 1066895900 /nfs/dbraw/zinc/89/59/00/1066895900.db2.gz VHZLVTZODYRKKQ-UHFFFAOYSA-N 0 0 492.834 4.544 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1Br ZINC001457681220 1066896452 /nfs/dbraw/zinc/89/64/52/1066896452.db2.gz MUTPLVCUNCIQOP-AWEZNQCLSA-N 0 0 457.413 4.784 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@H](C)[C@@H](C)C2)n(C)n1 ZINC001492725833 1066896674 /nfs/dbraw/zinc/89/66/74/1066896674.db2.gz VLBQLRRDJGACKD-HKUYNNGSSA-N 0 0 471.049 4.824 20 0 JJADRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001448072745 1066896903 /nfs/dbraw/zinc/89/69/03/1066896903.db2.gz JKVFKBXIPCKPEJ-UHFFFAOYSA-N 0 0 458.341 4.830 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(N(C)CCc4ccccc4F)nnc3C(C)(C)C)cn2)n1 ZINC001492727876 1066897057 /nfs/dbraw/zinc/89/70/57/1066897057.db2.gz KXGRYNKAOVOOKK-UHFFFAOYSA-N 0 0 461.589 4.639 20 0 JJADRN C[C@H](CNc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001457685418 1066897241 /nfs/dbraw/zinc/89/72/41/1066897241.db2.gz WMTBCEMQVQHDKC-MRXNPFEDSA-N 0 0 452.352 4.932 20 0 JJADRN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457690224 1066898135 /nfs/dbraw/zinc/89/81/35/1066898135.db2.gz GRAQHMYDZCOODC-UHFFFAOYSA-N 0 0 454.935 4.912 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3sccc3Br)C2)n1 ZINC001492728751 1066898722 /nfs/dbraw/zinc/89/87/22/1066898722.db2.gz LNBSILYVVYMCAS-MRXNPFEDSA-N 0 0 463.449 4.929 20 0 JJADRN COC(=O)CC1(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CCCCC1 ZINC001448086692 1066898840 /nfs/dbraw/zinc/89/88/40/1066898840.db2.gz NUEXICVTPQIURM-UHFFFAOYSA-N 0 0 457.954 4.580 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C(N)=O)CCC(C)(C)C4)o2)cc1 ZINC001457695578 1066898973 /nfs/dbraw/zinc/89/89/73/1066898973.db2.gz HSCVABNCPLDFLJ-UHFFFAOYSA-N 0 0 453.564 4.597 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)c3ccccc3n2)cc1 ZINC001457693435 1066899018 /nfs/dbraw/zinc/89/90/18/1066899018.db2.gz SOXBMXOEQAHNLL-XMMPIXPASA-N 0 0 459.933 4.910 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCSC(C)C)C2)n1 ZINC001492729392 1066899242 /nfs/dbraw/zinc/89/92/42/1066899242.db2.gz BBRSBIKNGQTMOB-LJQANCHMSA-N 0 0 460.051 4.790 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCc3ccc(Br)s3)C2)n1 ZINC001492729624 1066899275 /nfs/dbraw/zinc/89/92/75/1066899275.db2.gz GZQKQXJFBMCTKG-MRXNPFEDSA-N 0 0 478.464 4.518 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCCOC(F)F)C2)n1 ZINC001492729351 1066899297 /nfs/dbraw/zinc/89/92/97/1066899297.db2.gz ANOINSHYNKTBIP-QUCCMNQESA-N 0 0 492.546 4.841 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCCOC(F)F)C2)n1 ZINC001492729349 1066899344 /nfs/dbraw/zinc/89/93/44/1066899344.db2.gz ANOINSHYNKTBIP-AZUAARDMSA-N 0 0 492.546 4.841 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccncc43)CC2)c1C ZINC001457696092 1066899368 /nfs/dbraw/zinc/89/93/68/1066899368.db2.gz XUICEZRCJVTOAR-UHFFFAOYSA-N 0 0 451.592 4.508 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2c1Br ZINC001448098115 1066899389 /nfs/dbraw/zinc/89/93/89/1066899389.db2.gz SJWVFOWIKRIVFY-OKILXGFUSA-N 0 0 450.377 4.709 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001448097876 1066899429 /nfs/dbraw/zinc/89/94/29/1066899429.db2.gz QJDYOADAIQMIGN-CYBMUJFWSA-N 0 0 451.306 4.525 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC001457697049 1066899445 /nfs/dbraw/zinc/89/94/45/1066899445.db2.gz ZHVTUNFLMFVSDE-UHFFFAOYSA-N 0 0 450.373 4.890 20 0 JJADRN Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cc(-c2ccc(Br)o2)no1 ZINC001457702307 1066900036 /nfs/dbraw/zinc/90/00/36/1066900036.db2.gz JSUQMQLZHBZEIG-UHFFFAOYSA-N 0 0 450.236 4.748 20 0 JJADRN C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457701702 1066900055 /nfs/dbraw/zinc/90/00/55/1066900055.db2.gz HWDZYPSGKNAJHF-ZDUSSCGKSA-N 0 0 454.328 4.576 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(C)c1C ZINC001448103234 1066900100 /nfs/dbraw/zinc/90/01/00/1066900100.db2.gz XXKAZDVXLAXKMW-RUZDIDTESA-N 0 0 457.530 4.564 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)c1cccnc1I)C(C)(C)C ZINC001457704664 1066900538 /nfs/dbraw/zinc/90/05/38/1066900538.db2.gz AIIOKRINMVBNKY-MRXNPFEDSA-N 0 0 452.336 4.527 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(-c2ccc(Br)o2)no1 ZINC001457705705 1066900555 /nfs/dbraw/zinc/90/05/55/1066900555.db2.gz ZAQDBCSVGSJNTR-UHFFFAOYSA-N 0 0 453.602 4.513 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCSCC(F)(F)F)C2)n1 ZINC001492730415 1066900653 /nfs/dbraw/zinc/90/06/53/1066900653.db2.gz VUTDYKDCVODLEH-GOSISDBHSA-N 0 0 499.994 4.944 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccn4C)n3CCCSCC(C)C)C2)n1 ZINC001492730575 1066900758 /nfs/dbraw/zinc/90/07/58/1066900758.db2.gz YLMNSTVWVJUORH-NRFANRHFSA-N 0 0 455.676 4.718 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492730383 1066900783 /nfs/dbraw/zinc/90/07/83/1066900783.db2.gz VHWOHWWKPXOGDL-XUZZJYLKSA-N 0 0 457.022 4.660 20 0 JJADRN CC(=O)N1CCc2c1cccc2NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001448110615 1066900972 /nfs/dbraw/zinc/90/09/72/1066900972.db2.gz LYHGINGPWGKXSE-AREMUKBSSA-N 0 0 458.558 4.873 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC[C@@](C)(O)c2ccccc2)c1 ZINC001448111240 1066901020 /nfs/dbraw/zinc/90/10/20/1066901020.db2.gz NKVSYUVKLWKUEP-MUUNZHRXSA-N 0 0 455.558 4.884 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(C(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001492730653 1066901047 /nfs/dbraw/zinc/90/10/47/1066901047.db2.gz ANDLKVUUDKYIJN-UHFFFAOYSA-N 0 0 450.631 4.705 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730691 1066901193 /nfs/dbraw/zinc/90/11/93/1066901193.db2.gz BHWANNYOJRVJRE-JOCHJYFZSA-N 0 0 465.646 4.632 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCOCc1ccccc1 ZINC001457708077 1066901293 /nfs/dbraw/zinc/90/12/93/1066901293.db2.gz VPDDOBCSQOBQQB-OAQYLSRUSA-N 0 0 451.394 4.813 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(F)c3)C2)n1 ZINC001492731121 1066901535 /nfs/dbraw/zinc/90/15/35/1066901535.db2.gz LQNWXYOEYOKCIA-UNMCSNQZSA-N 0 0 454.594 4.738 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3Cl)C2)n1 ZINC001492731044 1066901628 /nfs/dbraw/zinc/90/16/28/1066901628.db2.gz KGENWXVXXXECPQ-IBGZPJMESA-N 0 0 472.037 4.649 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2ccnc2)cc1 ZINC001457711001 1066902159 /nfs/dbraw/zinc/90/21/59/1066902159.db2.gz OHUJCRFSNPRFEU-QVKFZJNVSA-N 0 0 456.493 4.594 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCSC(C)C)C2)n1 ZINC001492731424 1066902371 /nfs/dbraw/zinc/90/23/71/1066902371.db2.gz SZOAVZRGPPQJHE-NRFANRHFSA-N 0 0 474.078 4.714 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccccc4F)n3CCSC(C)C)C2)n1 ZINC001492731418 1066902405 /nfs/dbraw/zinc/90/24/05/1066902405.db2.gz SWMSTRBJCSYPMO-FQEVSTJZSA-N 0 0 472.634 4.793 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cs1 ZINC001457712950 1066902470 /nfs/dbraw/zinc/90/24/70/1066902470.db2.gz SYKCBZIKKXMBHU-UHFFFAOYSA-N 0 0 450.582 4.680 20 0 JJADRN O=C(CSCC(=O)c1ccccc1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001457714237 1066902904 /nfs/dbraw/zinc/90/29/04/1066902904.db2.gz UCQOJLGONCNRDP-UHFFFAOYSA-N 0 0 458.337 4.586 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c1 ZINC001457716255 1066903462 /nfs/dbraw/zinc/90/34/62/1066903462.db2.gz ZTYVJJXTFMHDFS-UHFFFAOYSA-N 0 0 457.804 4.920 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@H]1C)Oc1cccc(F)c1 ZINC001546002973 1066903649 /nfs/dbraw/zinc/90/36/49/1066903649.db2.gz BBINHJUSAPUBIR-UZLBHIALSA-N 0 0 473.618 4.634 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H](CCO)C(C)C)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457717746 1066903786 /nfs/dbraw/zinc/90/37/86/1066903786.db2.gz CAIYZQXAIQGQIB-HXUWFJFHSA-N 0 0 452.624 4.794 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(F)cc2O)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001457717091 1066903944 /nfs/dbraw/zinc/90/39/44/1066903944.db2.gz VZAIQTLCHBDRNI-UHFFFAOYSA-N 0 0 452.866 4.685 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492732122 1066904140 /nfs/dbraw/zinc/90/41/40/1066904140.db2.gz JMEJGUBUEDFLHC-WIYYLYMNSA-N 0 0 483.567 4.511 20 0 JJADRN CCOc1cccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC001457718103 1066904262 /nfs/dbraw/zinc/90/42/62/1066904262.db2.gz QTPBLRACXFOJOA-UHFFFAOYSA-N 0 0 458.967 4.512 20 0 JJADRN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001457718080 1066904294 /nfs/dbraw/zinc/90/42/94/1066904294.db2.gz ZGPLXILNCNOGML-RBDMOPTHSA-N 0 0 450.362 4.900 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)C(C)C)NC(=O)OC(C)(C)C ZINC001546003035 1066904314 /nfs/dbraw/zinc/90/43/14/1066904314.db2.gz BYXJPRQFWUYCLB-LJQANCHMSA-N 0 0 454.619 4.888 20 0 JJADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001448146483 1066904385 /nfs/dbraw/zinc/90/43/85/1066904385.db2.gz WWORNXGPRRMFKA-NDENLUEZSA-N 0 0 450.861 4.598 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)C(C)C)NC(=O)OC(C)(C)C ZINC001546003034 1066904396 /nfs/dbraw/zinc/90/43/96/1066904396.db2.gz BYXJPRQFWUYCLB-IBGZPJMESA-N 0 0 454.619 4.888 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001457722730 1066904621 /nfs/dbraw/zinc/90/46/21/1066904621.db2.gz WXXMELMUTPSQAZ-UHFFFAOYSA-N 0 0 452.711 4.674 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001448154521 1066904666 /nfs/dbraw/zinc/90/46/66/1066904666.db2.gz KPFNCOGJIAAKCO-UHFFFAOYSA-N 0 0 452.339 4.806 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)CSc1ccc(Br)cc1C ZINC001457724089 1066904856 /nfs/dbraw/zinc/90/48/56/1066904856.db2.gz XOJMHAFRPPASFH-UHFFFAOYSA-N 0 0 459.203 4.937 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1nc(-c2cccs2)c[nH]1 ZINC001448155659 1066904808 /nfs/dbraw/zinc/90/48/08/1066904808.db2.gz HICUHABBNLNNGY-UHFFFAOYSA-N 0 0 457.353 4.805 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CC[C@H]2CCCCO2)n1 ZINC001492732299 1066904857 /nfs/dbraw/zinc/90/48/57/1066904857.db2.gz MTCRIOJVJWWYNO-AZUAARDMSA-N 0 0 458.557 4.575 20 0 JJADRN Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001457725772 1066905321 /nfs/dbraw/zinc/90/53/21/1066905321.db2.gz QQPILFSLUPKNNM-HSZRJFAPSA-N 0 0 455.917 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CCSC(F)(F)F)n1 ZINC001492732692 1066905530 /nfs/dbraw/zinc/90/55/30/1066905530.db2.gz TYCUCGNWXYAMIV-OAHLLOKOSA-N 0 0 456.513 4.729 20 0 JJADRN CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc4ccccc43)c(C)s2)ccc1F ZINC001448162129 1066905593 /nfs/dbraw/zinc/90/55/93/1066905593.db2.gz WIVHFXLDGPGADC-UHFFFAOYSA-N 0 0 455.536 4.571 20 0 JJADRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001457729327 1066905657 /nfs/dbraw/zinc/90/56/57/1066905657.db2.gz DYQNEYBMKVFALM-UHFFFAOYSA-N 0 0 454.939 4.763 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc1 ZINC001457733050 1066906244 /nfs/dbraw/zinc/90/62/44/1066906244.db2.gz WITUBYVGFXIJRM-FQEVSTJZSA-N 0 0 459.999 4.837 20 0 JJADRN Cc1nc(-c2cc3c(s2)CCN(C(=O)CSCC(=O)Nc2cccc(C)c2)C3)cs1 ZINC001457733341 1066906278 /nfs/dbraw/zinc/90/62/78/1066906278.db2.gz ULVVHSCHLOYXGS-UHFFFAOYSA-N 0 0 457.646 4.745 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc2ccc(Br)cc2)[C@H]1Oc1ccccc1 ZINC001448168405 1066906197 /nfs/dbraw/zinc/90/61/97/1066906197.db2.gz WSAWYFCEOMRBPC-ZVEHZALQSA-N 0 0 450.398 4.671 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001546003208 1066906233 /nfs/dbraw/zinc/90/62/33/1066906233.db2.gz FOAHXOPPKQKMJM-JXFKEZNVSA-N 0 0 473.618 4.634 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N(Cc1c(F)cccc1F)C1CC1)NC(=O)OC(C)(C)C ZINC001546003238 1066906648 /nfs/dbraw/zinc/90/66/48/1066906648.db2.gz GFJROVBUKLLANI-KRWDZBQOSA-N 0 0 475.584 4.981 20 0 JJADRN COc1ccc2cccc(CC(=O)N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)c2c1 ZINC001457735207 1066906632 /nfs/dbraw/zinc/90/66/32/1066906632.db2.gz KTGKXYVTLVENLY-UHFFFAOYSA-N 0 0 452.938 4.627 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 ZINC001457734122 1066906681 /nfs/dbraw/zinc/90/66/81/1066906681.db2.gz HFPJQRSRMIAXTN-HSZRJFAPSA-N 0 0 456.970 4.923 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCCCC3)n2CCc2ccc(Br)cc2)n1 ZINC001492733515 1066906938 /nfs/dbraw/zinc/90/69/38/1066906938.db2.gz LYNCKMAKJFNKMS-UHFFFAOYSA-N 0 0 471.447 4.914 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001546003278 1066907005 /nfs/dbraw/zinc/90/70/05/1066907005.db2.gz GNNCEPMCUKYVTC-FQEVSTJZSA-N 0 0 485.654 4.879 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492733406 1066907042 /nfs/dbraw/zinc/90/70/42/1066907042.db2.gz JNQQEDPCIOISOE-GCJKJVERSA-N 0 0 465.646 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2C[C@@H](C)Oc2cccc(F)c2)n1 ZINC001492733503 1066907051 /nfs/dbraw/zinc/90/70/51/1066907051.db2.gz LVPOFXFBOOMWFF-NQSCKRDGSA-N 0 0 454.594 4.761 20 0 JJADRN CCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001448178941 1066907090 /nfs/dbraw/zinc/90/70/90/1066907090.db2.gz SKISQCYCNQUZFL-SFHVURJKSA-N 0 0 452.580 4.793 20 0 JJADRN C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(I)cc1Cl ZINC001448183777 1066907621 /nfs/dbraw/zinc/90/76/21/1066907621.db2.gz CQXBPULQKFEDOS-LLVKDONJSA-N 0 0 459.686 4.609 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CSC2(C)C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001448184096 1066907719 /nfs/dbraw/zinc/90/77/19/1066907719.db2.gz FJGRETIYQOJTLQ-OAHLLOKOSA-N 0 0 459.662 4.826 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCSc2ccccc2)n1 ZINC001492734831 1066907806 /nfs/dbraw/zinc/90/78/06/1066907806.db2.gz ABNXGQSTCIPTEW-QGZVFWFLSA-N 0 0 467.668 4.628 20 0 JJADRN CSc1ccc([C@@H](C)NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)cc1 ZINC001448188390 1066908023 /nfs/dbraw/zinc/90/80/23/1066908023.db2.gz UYYUCKFZDMXGQH-CYBMUJFWSA-N 0 0 452.648 4.501 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC001448186548 1066908042 /nfs/dbraw/zinc/90/80/42/1066908042.db2.gz OCFSYMAEUPUFTQ-PMACEKPBSA-N 0 0 453.633 4.881 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1NC(=O)N(C)C ZINC001448186262 1066908138 /nfs/dbraw/zinc/90/81/38/1066908138.db2.gz DHSSQSONRCWYDU-HXUWFJFHSA-N 0 0 454.571 4.553 20 0 JJADRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC001448187289 1066908156 /nfs/dbraw/zinc/90/81/56/1066908156.db2.gz GWRQQRUIQZBWLP-RUZDIDTESA-N 0 0 454.505 4.571 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001492735026 1066908235 /nfs/dbraw/zinc/90/82/35/1066908235.db2.gz HXSOBIKNQODKNR-GAJHUEQPSA-N 0 0 472.584 4.650 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCO[C@@H]2CCCC[C@H]2C)n1 ZINC001492735029 1066908243 /nfs/dbraw/zinc/90/82/43/1066908243.db2.gz HXSOBIKNQODKNR-UZUQRXQVSA-N 0 0 472.584 4.650 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3scnc3C)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001492734967 1066908281 /nfs/dbraw/zinc/90/82/81/1066908281.db2.gz FZMZMXCOQJWUMQ-UHFFFAOYSA-N 0 0 475.544 4.608 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC001448193703 1066908518 /nfs/dbraw/zinc/90/85/18/1066908518.db2.gz HQPZVHBXSKOCKN-UHFFFAOYSA-N 0 0 454.162 4.506 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC001457741706 1066908507 /nfs/dbraw/zinc/90/85/07/1066908507.db2.gz HUAJACKDJPNSRX-DEOSSOPVSA-N 0 0 454.530 4.657 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001457742588 1066908634 /nfs/dbraw/zinc/90/86/34/1066908634.db2.gz BGRXPFKUODHJBH-QFIPXVFZSA-N 0 0 451.535 4.671 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743094 1066908923 /nfs/dbraw/zinc/90/89/23/1066908923.db2.gz RMMDVNNUHTXRPT-DLENHJPASA-N 0 0 450.554 4.744 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C[C@@]2(C)CCCS2)n1 ZINC001492735341 1066908991 /nfs/dbraw/zinc/90/89/91/1066908991.db2.gz SBQIWFJOIFTKET-HXUWFJFHSA-N 0 0 495.516 4.886 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@@H](C)c2c(C)noc2C)n1 ZINC001492735508 1066909013 /nfs/dbraw/zinc/90/90/13/1066909013.db2.gz YRUBDJXQNSITQM-CYBMUJFWSA-N 0 0 487.530 4.602 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](C)c2ccc(F)cc2)n1 ZINC001492735423 1066909123 /nfs/dbraw/zinc/90/91/23/1066909123.db2.gz WBOXXGVXXKWWOB-INIZCTEOSA-N 0 0 467.980 4.767 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2Cc2cccc(C(F)(F)F)n2)n1 ZINC001492735630 1066909411 /nfs/dbraw/zinc/90/94/11/1066909411.db2.gz CXWDCIHOJVCFFG-UHFFFAOYSA-N 0 0 475.544 4.608 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccn2)cc1 ZINC001457744685 1066909401 /nfs/dbraw/zinc/90/94/01/1066909401.db2.gz NQPTUSUQDZCKOS-UHFFFAOYSA-N 0 0 453.461 4.575 20 0 JJADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)NC(C)(C)C(=O)NCC1CCCCC1 ZINC001457745582 1066909409 /nfs/dbraw/zinc/90/94/09/1066909409.db2.gz JNKAULRYVRDTPY-UHFFFAOYSA-N 0 0 459.590 4.614 20 0 JJADRN Cc1cc(I)cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)c1 ZINC001457745689 1066909425 /nfs/dbraw/zinc/90/94/25/1066909425.db2.gz FJVVWFDDQRQOKP-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003456 1066909348 /nfs/dbraw/zinc/90/93/48/1066909348.db2.gz JRPGXFNCIZOQIS-SJLPKXTDSA-N 0 0 476.691 4.810 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001546003636 1066909968 /nfs/dbraw/zinc/90/99/68/1066909968.db2.gz MUSYSALTDPGPNL-KRWDZBQOSA-N 0 0 488.683 4.561 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC001448220328 1066910202 /nfs/dbraw/zinc/91/02/02/1066910202.db2.gz CZRCPTSMFVXODE-QFIPXVFZSA-N 0 0 458.524 4.867 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2C(C)C)CCO1 ZINC001546093594 1066910385 /nfs/dbraw/zinc/91/03/85/1066910385.db2.gz QMHSRMHKVBIOJL-DFIYOIEZSA-N 0 0 461.651 4.615 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@@H]2CCO[C@@H](C)C2)n1 ZINC001492736190 1066910687 /nfs/dbraw/zinc/91/06/87/1066910687.db2.gz XNNQEEYDMJORMV-PKOBYXMFSA-N 0 0 494.537 4.749 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001546003722 1066910615 /nfs/dbraw/zinc/91/06/15/1066910615.db2.gz OYKSFGHPVYFOFE-HRFSGMKKSA-N 0 0 496.656 4.659 20 0 JJADRN O=C(c1cc(Br)ncc1Cl)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001457749431 1066910627 /nfs/dbraw/zinc/91/06/27/1066910627.db2.gz VDVMOBDNVFHUOP-UHFFFAOYSA-N 0 0 452.563 4.829 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492736293 1066911028 /nfs/dbraw/zinc/91/10/28/1066911028.db2.gz BIYAORIFTIGDDL-KNQAVFIVSA-N 0 0 456.660 4.679 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 ZINC001448229342 1066911324 /nfs/dbraw/zinc/91/13/24/1066911324.db2.gz QMTWXNYFWIKLBL-HNNXBMFYSA-N 0 0 453.808 4.734 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCc2ccnc(C(C)(C)C)n2)n1 ZINC001492736418 1066911551 /nfs/dbraw/zinc/91/15/51/1066911551.db2.gz GBGFXNMIZVLHIT-UHFFFAOYSA-N 0 0 490.631 4.636 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccs3)n2C[C@H](c2ccccc2Cl)N(C)C)n1 ZINC001492736503 1066911672 /nfs/dbraw/zinc/91/16/72/1066911672.db2.gz IBWOITKPDRQZGN-JOCHJYFZSA-N 0 0 484.073 4.794 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001448230182 1066911725 /nfs/dbraw/zinc/91/17/25/1066911725.db2.gz ONSDZSPFYGRGPL-FKBYEOEOSA-N 0 0 454.542 4.758 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001457753010 1066911951 /nfs/dbraw/zinc/91/19/51/1066911951.db2.gz NFCLAEZPKYGVDF-UHFFFAOYSA-N 0 0 452.917 4.735 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@@H]2C)n1 ZINC001492736807 1066911983 /nfs/dbraw/zinc/91/19/83/1066911983.db2.gz UDMHWAUPKORCPR-OXJNMPFZSA-N 0 0 458.557 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2CCOc2ccc(Cl)cc2)n1 ZINC001492737142 1066912353 /nfs/dbraw/zinc/91/23/53/1066912353.db2.gz GTLRCKAGSXRNCY-UHFFFAOYSA-N 0 0 457.003 4.570 20 0 JJADRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001457754116 1066912417 /nfs/dbraw/zinc/91/24/17/1066912417.db2.gz LVSFPTYOVDZFGW-UHFFFAOYSA-N 0 0 455.605 4.787 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@@H]2CC[C@H](C)C2)n1 ZINC001492736991 1066912374 /nfs/dbraw/zinc/91/23/74/1066912374.db2.gz ASCMQKOGFCYXDO-XJKSGUPXSA-N 0 0 467.565 4.688 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492737058 1066912387 /nfs/dbraw/zinc/91/23/87/1066912387.db2.gz DESFPCWAXSGTKR-LADGPHEKSA-N 0 0 494.688 4.531 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccccn1 ZINC001448234187 1066912523 /nfs/dbraw/zinc/91/25/23/1066912523.db2.gz QCTNLHRKHVGDLD-OAHLLOKOSA-N 0 0 453.955 4.604 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](c2cccnc2)C(C)C)n1 ZINC001492737467 1066912688 /nfs/dbraw/zinc/91/26/88/1066912688.db2.gz UCLNSGGOTOJNFH-XMMPIXPASA-N 0 0 487.656 4.524 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001448233255 1066912797 /nfs/dbraw/zinc/91/27/97/1066912797.db2.gz IFKXZZXELCSBLB-RBZQAINGSA-N 0 0 479.621 4.685 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC001492737328 1066912842 /nfs/dbraw/zinc/91/28/42/1066912842.db2.gz OJTIRMFDSOIGCQ-HKUYNNGSSA-N 0 0 481.592 4.910 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2Cc2ccccc2OC(C)C)n1 ZINC001492737531 1066912925 /nfs/dbraw/zinc/91/29/25/1066912925.db2.gz WGMDSQSXSUNQQZ-UHFFFAOYSA-N 0 0 450.612 4.673 20 0 JJADRN O=C(Nc1cc(F)ccc1Br)c1ccc(Cn2cc(Br)cn2)s1 ZINC001457757691 1066913094 /nfs/dbraw/zinc/91/30/94/1066913094.db2.gz FCXXTRWDUMGPAB-UHFFFAOYSA-N 0 0 459.138 4.909 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NC[C@H]3CC(c4ccc(OC)cc4)=NO3)cs2)cc1 ZINC001448234647 1066913149 /nfs/dbraw/zinc/91/31/49/1066913149.db2.gz DKNCUKPJJGIDAJ-HXUWFJFHSA-N 0 0 451.548 4.531 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2CCc2cccs2)n1 ZINC001492738996 1066913438 /nfs/dbraw/zinc/91/34/38/1066913438.db2.gz QXQZIWMACCAMKB-UHFFFAOYSA-N 0 0 455.031 4.776 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC001448237750 1066913541 /nfs/dbraw/zinc/91/35/41/1066913541.db2.gz XCVZDWMXGUZLSK-DEOSSOPVSA-N 0 0 450.579 4.502 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc2scc(Br)c2c1 ZINC001457764396 1066913963 /nfs/dbraw/zinc/91/39/63/1066913963.db2.gz PKVPPBFEFFGNEY-UHFFFAOYSA-N 0 0 459.365 4.825 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cnn(C(C)(C)C)c1I ZINC001457767731 1066914312 /nfs/dbraw/zinc/91/43/12/1066914312.db2.gz UTQMVBWBTLUHPR-INIZCTEOSA-N 0 0 453.368 4.726 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCO[C@@H](CC)C1 ZINC001448242292 1066914406 /nfs/dbraw/zinc/91/44/06/1066914406.db2.gz GVBAUGXAVJIHJK-UXHICEINSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@H](C)Sc2ccccc2)n1 ZINC001492739749 1066914560 /nfs/dbraw/zinc/91/45/60/1066914560.db2.gz UHBHBSJRFQDOTJ-NRFANRHFSA-N 0 0 468.671 4.573 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(N3CCC(C)CC3)nc2)n1 ZINC001492739905 1066914570 /nfs/dbraw/zinc/91/45/70/1066914570.db2.gz AGYWUJWIRXHXFG-UHFFFAOYSA-N 0 0 478.689 4.690 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC001457768203 1066914716 /nfs/dbraw/zinc/91/47/16/1066914716.db2.gz YMSUQNHJZBZVGC-VQTJNVASSA-N 0 0 453.457 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CCN(c4cccs4)CC3)cc21 ZINC001457768264 1066914743 /nfs/dbraw/zinc/91/47/43/1066914743.db2.gz ZBGJSYAMRBKVMQ-HXUWFJFHSA-N 0 0 455.624 4.655 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@H]2CCCSC2)n1 ZINC001492740055 1066914917 /nfs/dbraw/zinc/91/49/17/1066914917.db2.gz GSHJXMBJBZROMA-OAQYLSRUSA-N 0 0 456.635 4.837 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(C)nc3Sc3ccccc3)C2)cc1F ZINC001448245800 1066915006 /nfs/dbraw/zinc/91/50/06/1066915006.db2.gz XHWWEXXHAXTHJL-KRWDZBQOSA-N 0 0 451.523 4.612 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2CCOc2cccc(C(F)(F)F)n2)n1 ZINC001492740488 1066915301 /nfs/dbraw/zinc/91/53/01/1066915301.db2.gz XHKGNFOZUUUTEM-UHFFFAOYSA-N 0 0 479.551 4.503 20 0 JJADRN C[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)C(=O)c1cccc(F)c1 ZINC001457771434 1066915566 /nfs/dbraw/zinc/91/55/66/1066915566.db2.gz UWLQDGUMVOKGPM-CYBMUJFWSA-N 0 0 452.511 4.774 20 0 JJADRN CCCOc1ccc(C(C)(C)NC(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001448272535 1066915676 /nfs/dbraw/zinc/91/56/76/1066915676.db2.gz BXNSTCDROQHMSZ-UHFFFAOYSA-N 0 0 453.583 4.829 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2Cc2cnc(C)s2)n1 ZINC001492740673 1066915686 /nfs/dbraw/zinc/91/56/86/1066915686.db2.gz DCOLEAZSLUWBID-UHFFFAOYSA-N 0 0 453.591 4.507 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546004159 1066915733 /nfs/dbraw/zinc/91/57/33/1066915733.db2.gz XCLVFVMCTNRMBP-DBVUQKKJSA-N 0 0 475.659 4.562 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 ZINC001546004126 1066915801 /nfs/dbraw/zinc/91/58/01/1066915801.db2.gz WRRWMEVVACAQPF-MJGOQNOKSA-N 0 0 492.615 4.900 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC3CC3)C3CCCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC001492740691 1066915773 /nfs/dbraw/zinc/91/57/73/1066915773.db2.gz DXFKOGYKSZXTHB-OAQYLSRUSA-N 0 0 499.704 4.944 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2Cc2ccc(Cl)s2)n1 ZINC001492740566 1066915859 /nfs/dbraw/zinc/91/58/59/1066915859.db2.gz ZPOSMZGNZVKCLR-UHFFFAOYSA-N 0 0 474.993 4.557 20 0 JJADRN CCOC(=O)c1cnc(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c(Cl)c1 ZINC001457773225 1066915958 /nfs/dbraw/zinc/91/59/58/1066915958.db2.gz LVDDSJMDCSRPTB-INIZCTEOSA-N 0 0 455.711 4.694 20 0 JJADRN CC(C)Oc1ccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1C(N)=O ZINC001448281859 1066916042 /nfs/dbraw/zinc/91/60/42/1066916042.db2.gz QHBAIIWZQYECES-KRWDZBQOSA-N 0 0 450.564 4.831 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[C@H]2CCO[C@@H](C)C2)n1 ZINC001492740871 1066916244 /nfs/dbraw/zinc/91/62/44/1066916244.db2.gz LLLBQLOKWJDHNL-OALUTQOASA-N 0 0 468.568 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)Nc3cc(-c4ccccc4F)on3)cccc2C1 ZINC001457774790 1066916463 /nfs/dbraw/zinc/91/64/63/1066916463.db2.gz CFBBCPWKLHPZDC-UHFFFAOYSA-N 0 0 451.498 4.955 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1cccc(Br)c1 ZINC001457775645 1066916900 /nfs/dbraw/zinc/91/69/00/1066916900.db2.gz UPEANLYBGWDOSX-QGZVFWFLSA-N 0 0 459.167 4.589 20 0 JJADRN CN(Cc1nc[nH]n1)C(=O)c1cc(C=Cc2cccs2)nc2ccc(Br)cc21 ZINC001457776719 1066917344 /nfs/dbraw/zinc/91/73/44/1066917344.db2.gz ZWBYVESZUIWMHT-AATRIKPKSA-N 0 0 454.353 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492741552 1066917507 /nfs/dbraw/zinc/91/75/07/1066917507.db2.gz BVWWEUUYVYTOPV-WOJBJXKFSA-N 0 0 477.657 4.655 20 0 JJADRN CCOC(=O)c1cnc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(Cl)c1 ZINC001457775984 1066917529 /nfs/dbraw/zinc/91/75/29/1066917529.db2.gz YOUHYRLIXCBTSS-UHFFFAOYSA-N 0 0 451.748 4.694 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1ccc(C(N)=O)s1 ZINC001457778007 1066917937 /nfs/dbraw/zinc/91/79/37/1066917937.db2.gz DMTRJYUQMVUTRR-SECBINFHSA-N 0 0 450.383 4.532 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492742179 1066917905 /nfs/dbraw/zinc/91/79/05/1066917905.db2.gz NFIVZMLUTCYXEV-WBVHZDCISA-N 0 0 462.520 4.711 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3Cc4ccc(Br)cc4C3)n2CCCC(C)C)n1 ZINC001492742311 1066918002 /nfs/dbraw/zinc/91/80/02/1066918002.db2.gz AEPUDWHSMXVGAG-UHFFFAOYSA-N 0 0 457.420 4.859 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)CCN2C(=S)N=NC2c2cccs2)c1 ZINC001457780835 1066918311 /nfs/dbraw/zinc/91/83/11/1066918311.db2.gz JXFIDSIVOHTPNX-UHFFFAOYSA-N 0 0 458.609 4.598 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)cc1 ZINC001448353571 1066918788 /nfs/dbraw/zinc/91/87/88/1066918788.db2.gz HPADHVZJXSAPAY-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492743606 1066918754 /nfs/dbraw/zinc/91/87/54/1066918754.db2.gz RXCKGGWCHBOTNT-GOSISDBHSA-N 0 0 460.548 4.672 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cnc(-c2ccccc2)nc1C ZINC001457783267 1066918838 /nfs/dbraw/zinc/91/88/38/1066918838.db2.gz MWJWEUDENLQYPD-FQEVSTJZSA-N 0 0 458.345 4.663 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2Cc2sccc2Br)n1 ZINC001492743133 1066918853 /nfs/dbraw/zinc/91/88/53/1066918853.db2.gz VVMWMZUHUKVAQH-HIFRSBDPSA-N 0 0 463.449 4.637 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2sccc2Br)n1 ZINC001492743891 1066918885 /nfs/dbraw/zinc/91/88/85/1066918885.db2.gz ASKVNYIWGFSQQE-CQSZACIVSA-N 0 0 477.476 4.884 20 0 JJADRN Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c2cc(F)ccc21 ZINC001448356080 1066919097 /nfs/dbraw/zinc/91/90/97/1066919097.db2.gz OUGZUUAKRAAVNM-JOCHJYFZSA-N 0 0 455.505 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)cc3nc[nH]c32)[C@H](c2ccccc2Cl)C1 ZINC001448357743 1066919383 /nfs/dbraw/zinc/91/93/83/1066919383.db2.gz QRAMUOGRARPLGO-IBGZPJMESA-N 0 0 458.921 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492744021 1066919810 /nfs/dbraw/zinc/91/98/10/1066919810.db2.gz DXCMQYGQVHKYRU-QINBWVTOSA-N 0 0 499.704 4.876 20 0 JJADRN O=C(Nc1cc(O)c(Br)cc1Br)[C@H]1CCN(c2ccccc2F)C1 ZINC001457786764 1066919734 /nfs/dbraw/zinc/91/97/34/1066919734.db2.gz LYFHNDVWWPRZMD-JTQLQIEISA-N 0 0 458.125 4.521 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001448359677 1066919791 /nfs/dbraw/zinc/91/97/91/1066919791.db2.gz NZAHEUKRJNIGSH-IBGZPJMESA-N 0 0 455.967 4.915 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2cccc(Cl)c2)n1 ZINC001492744440 1066920168 /nfs/dbraw/zinc/92/01/68/1066920168.db2.gz OVOLEPBCTIUQQL-UHFFFAOYSA-N 0 0 452.912 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492744480 1066920185 /nfs/dbraw/zinc/92/01/85/1066920185.db2.gz PTNWPSLMVWTDIS-UHFFFAOYSA-N 0 0 490.574 4.893 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001457788561 1066920090 /nfs/dbraw/zinc/92/00/90/1066920090.db2.gz KULUXSJDTVFMPV-GOSISDBHSA-N 0 0 454.445 4.671 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001457788564 1066920207 /nfs/dbraw/zinc/92/02/07/1066920207.db2.gz KULUXSJDTVFMPV-SFHVURJKSA-N 0 0 454.445 4.671 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC001448368477 1066920296 /nfs/dbraw/zinc/92/02/96/1066920296.db2.gz FOGIDILILRQYHV-PKTZIBPZSA-N 0 0 454.567 4.688 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457788171 1066920305 /nfs/dbraw/zinc/92/03/05/1066920305.db2.gz GAUBHLNWBYWOGI-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC001448371035 1066920665 /nfs/dbraw/zinc/92/06/65/1066920665.db2.gz HWRMSQQIOVHYPN-MOPGFXCFSA-N 0 0 451.304 4.534 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546005349 1066920845 /nfs/dbraw/zinc/92/08/45/1066920845.db2.gz AKONOTVREANXQP-BJKOFHAPSA-N 0 0 497.684 4.620 20 0 JJADRN COc1cc2ncn(CCCC(=O)N(CC(C)C)c3ccc(Cl)cc3)c(=O)c2cc1OC ZINC001457788987 1066920809 /nfs/dbraw/zinc/92/08/09/1066920809.db2.gz KZEADUTWHXYEKG-UHFFFAOYSA-N 0 0 457.958 4.537 20 0 JJADRN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(OC(F)F)c(Br)c1 ZINC001448382354 1066921076 /nfs/dbraw/zinc/92/10/76/1066921076.db2.gz YVVNOOSANACJSG-AEFFLSMTSA-N 0 0 456.283 4.985 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](c4ccccc4)[C@H]3C)n2CCSC(F)(F)F)n1 ZINC001492745658 1066921348 /nfs/dbraw/zinc/92/13/48/1066921348.db2.gz ULCMDNDLOVGTOV-MJGOQNOKSA-N 0 0 464.561 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](c4ccccc4)[C@H]3C)n2CCSC(F)(F)F)n1 ZINC001492745657 1066921412 /nfs/dbraw/zinc/92/14/12/1066921412.db2.gz ULCMDNDLOVGTOV-IEBWSBKVSA-N 0 0 464.561 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](c4ccccc4)[C@@H]3C)n2CCSC(F)(F)F)n1 ZINC001492745656 1066921475 /nfs/dbraw/zinc/92/14/75/1066921475.db2.gz ULCMDNDLOVGTOV-HKUYNNGSSA-N 0 0 464.561 4.775 20 0 JJADRN O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc(F)c2ncccc2c1 ZINC001448383409 1066921616 /nfs/dbraw/zinc/92/16/16/1066921616.db2.gz CDQFLFRQFGHMFY-INIZCTEOSA-N 0 0 457.221 4.619 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CCC2(C)CC2)n1 ZINC001492745986 1066921647 /nfs/dbraw/zinc/92/16/47/1066921647.db2.gz DAYUFRMPIPRTSZ-UHFFFAOYSA-N 0 0 499.704 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)Nc2nc(-c3ccccc3F)co2)C1 ZINC001457790650 1066921753 /nfs/dbraw/zinc/92/17/53/1066921753.db2.gz XLHMXHQIYBZZFN-UHFFFAOYSA-N 0 0 453.470 4.863 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3cccc(I)c3N)c2)cn1 ZINC001448389127 1066922055 /nfs/dbraw/zinc/92/20/55/1066922055.db2.gz ZCPZKYVWCUCOTD-UHFFFAOYSA-N 0 0 459.287 4.505 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2nc(C(F)(F)F)cs2)n1 ZINC001492746511 1066922104 /nfs/dbraw/zinc/92/21/04/1066922104.db2.gz VMHXGXLGBNRVKS-UHFFFAOYSA-N 0 0 492.358 4.563 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)N3CCc4c(F)cc(Br)cc4C3)nc2)c1 ZINC001457791806 1066922317 /nfs/dbraw/zinc/92/23/17/1066922317.db2.gz WZYBPNQLSITELW-UHFFFAOYSA-N 0 0 457.299 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@@H](c2cccnc2)C1 ZINC001448396191 1066922379 /nfs/dbraw/zinc/92/23/79/1066922379.db2.gz BZDZPWZLWIUPJY-PWRODBHTSA-N 0 0 473.520 4.607 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC001448394925 1066922513 /nfs/dbraw/zinc/92/25/13/1066922513.db2.gz QSVUZTVTGPTEOO-KRWDZBQOSA-N 0 0 458.274 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4cccc(F)c4[C@@H]3C)n2CCCC(F)(F)F)n1 ZINC001492747710 1066922709 /nfs/dbraw/zinc/92/27/09/1066922709.db2.gz JXDIMLXRBMAPJC-INIZCTEOSA-N 0 0 450.484 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccs3)n2)[C@@H](c2cccnc2)C1 ZINC001448397700 1066922879 /nfs/dbraw/zinc/92/28/79/1066922879.db2.gz DDLZBLMASIAHFL-QGZVFWFLSA-N 0 0 456.593 4.701 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2CC(C)(C)c2ccc(F)cc2)n1 ZINC001492748539 1066922976 /nfs/dbraw/zinc/92/29/76/1066922976.db2.gz HVHBLHDPOXQZHT-GOSISDBHSA-N 0 0 460.548 4.738 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001457800081 1066923046 /nfs/dbraw/zinc/92/30/46/1066923046.db2.gz DMUIXMZEXXNVJM-UHFFFAOYSA-N 0 0 454.246 4.806 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)CC[C@H]3CC3(Cl)Cl)c2C(=O)N2CCOCC2)C1 ZINC001457799389 1066923080 /nfs/dbraw/zinc/92/30/80/1066923080.db2.gz YFDXIJSDEFITTG-ZDUSSCGKSA-N 0 0 459.439 4.648 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC001492748178 1066923115 /nfs/dbraw/zinc/92/31/15/1066923115.db2.gz YUKIUYAKQKLGOJ-DNVJHFABSA-N 0 0 486.705 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(NCCc3ccccn3)cc2)C(C)(C)C1 ZINC001448400876 1066923094 /nfs/dbraw/zinc/92/30/94/1066923094.db2.gz HUSMKQHPHXIJOM-QFIPXVFZSA-N 0 0 452.599 4.502 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Oc3ccccc3C)cn2)c1 ZINC001448401549 1066923329 /nfs/dbraw/zinc/92/33/29/1066923329.db2.gz MJBLATHDSCHKLW-UHFFFAOYSA-N 0 0 453.564 4.821 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccnc3I)sc2C1 ZINC001457801577 1066923712 /nfs/dbraw/zinc/92/37/12/1066923712.db2.gz BBLAWKDJESBAAG-LLVKDONJSA-N 0 0 455.365 4.936 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCc2c(C)cccc2C)n1 ZINC001492749116 1066923781 /nfs/dbraw/zinc/92/37/81/1066923781.db2.gz UMHMGPZDBQGKNH-HXUWFJFHSA-N 0 0 460.548 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492749078 1066923844 /nfs/dbraw/zinc/92/38/44/1066923844.db2.gz TXJJOZGEGWAKTQ-SFHVURJKSA-N 0 0 468.474 4.904 20 0 JJADRN CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)c(C)o1 ZINC001448404248 1066924144 /nfs/dbraw/zinc/92/41/44/1066924144.db2.gz CNEDNUFZCSRMHX-LJQANCHMSA-N 0 0 458.502 4.566 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC001457805544 1066924447 /nfs/dbraw/zinc/92/44/47/1066924447.db2.gz GBBGTNHTXOQZSD-HXUWFJFHSA-N 0 0 451.592 4.676 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC001492749393 1066924560 /nfs/dbraw/zinc/92/45/60/1066924560.db2.gz ZSKDRVISLGOOSK-ROUUACIJSA-N 0 0 478.975 4.742 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCc2ccccc2)n1 ZINC001492749833 1066924664 /nfs/dbraw/zinc/92/46/64/1066924664.db2.gz KFEBJKMWSNKUBY-HSZRJFAPSA-N 0 0 450.631 4.556 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cccc(C)c1NC(=O)c1ccccc1F ZINC001457806393 1066924831 /nfs/dbraw/zinc/92/48/31/1066924831.db2.gz PCKQIQVMZBINQP-HXUWFJFHSA-N 0 0 456.901 4.512 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)Cc1cc(OC)ccc1Br ZINC001457807297 1066924859 /nfs/dbraw/zinc/92/48/59/1066924859.db2.gz XUYBFMLRQLRWMZ-HNNXBMFYSA-N 0 0 455.190 4.900 20 0 JJADRN Cc1nc2cc(NC(=O)[C@@H](C)CC(=O)c3cccc(Br)c3)ccc2n1[C@@H](C)CO ZINC001457807303 1066924923 /nfs/dbraw/zinc/92/49/23/1066924923.db2.gz RIBCXSYNZBALQY-KBPBESRZSA-N 0 0 458.356 4.508 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492749940 1066925087 /nfs/dbraw/zinc/92/50/87/1066925087.db2.gz MTELIWSLBDAXEC-JOCHJYFZSA-N 0 0 495.672 4.544 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cn1)c1ccccc1 ZINC001448409308 1066925036 /nfs/dbraw/zinc/92/50/36/1066925036.db2.gz XAHQWGCDHZKOOT-NQIIRXRSSA-N 0 0 453.583 4.987 20 0 JJADRN Cc1cccc(OCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1 ZINC001448409203 1066925047 /nfs/dbraw/zinc/92/50/47/1066925047.db2.gz WVDFSFMUEQUCRG-HSZRJFAPSA-N 0 0 453.583 4.760 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cn1)c1ccccc1 ZINC001448409319 1066925102 /nfs/dbraw/zinc/92/51/02/1066925102.db2.gz XAHQWGCDHZKOOT-RXVVDRJESA-N 0 0 453.583 4.987 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cccc(NCc4cncs4)c3)CC2)c1 ZINC001448418652 1066925800 /nfs/dbraw/zinc/92/58/00/1066925800.db2.gz YJXLRGISWUOTQB-UHFFFAOYSA-N 0 0 455.555 4.873 20 0 JJADRN Cc1ccc(Cl)c(NC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)c1 ZINC001457809639 1066925785 /nfs/dbraw/zinc/92/57/85/1066925785.db2.gz AXXCHFNHAXSKQJ-GFCCVEGCSA-N 0 0 455.893 4.612 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1Br ZINC001457813617 1066926637 /nfs/dbraw/zinc/92/66/37/1066926637.db2.gz BLHJITNGIKTPOF-UHFFFAOYSA-N 0 0 450.276 4.600 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)c(OC[C@@H]2CCCO2)c1 ZINC001457814241 1066926653 /nfs/dbraw/zinc/92/66/53/1066926653.db2.gz PABYVTRTWVNITC-SFHVURJKSA-N 0 0 457.368 4.656 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2Cc2cscc2C(F)(F)F)n1 ZINC001492753975 1066926692 /nfs/dbraw/zinc/92/66/92/1066926692.db2.gz MJGDLSBYMQAMHQ-GOSISDBHSA-N 0 0 482.576 4.520 20 0 JJADRN O=Cc1ccc(-c2ccc(O)c(C(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)c2)o1 ZINC001448437014 1066927036 /nfs/dbraw/zinc/92/70/36/1066927036.db2.gz WEBJTDLVGHPLLX-KRWDZBQOSA-N 0 0 453.800 4.600 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001457814652 1066927040 /nfs/dbraw/zinc/92/70/40/1066927040.db2.gz JXXUEDMCLGAHLO-UHFFFAOYSA-N 0 0 455.407 4.798 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC001457814653 1066927156 /nfs/dbraw/zinc/92/71/56/1066927156.db2.gz OZYRVNDTHVGFQZ-LJQANCHMSA-N 0 0 451.876 4.765 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2ccc(Cl)s2)n1 ZINC001492754229 1066927117 /nfs/dbraw/zinc/92/71/17/1066927117.db2.gz UDGUCTVMZLVUOS-HSZRJFAPSA-N 0 0 477.078 4.739 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCOC4(C3)CCCCCC4)n2CC(C)(C)C(F)(F)F)n1 ZINC001492755154 1066927259 /nfs/dbraw/zinc/92/72/59/1066927259.db2.gz QYXAPGXULUZPAR-UHFFFAOYSA-N 0 0 468.568 4.658 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC001457817002 1066927409 /nfs/dbraw/zinc/92/74/09/1066927409.db2.gz PGMDRCLVAKAYLS-AWEZNQCLSA-N 0 0 454.324 4.925 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)c1 ZINC001457817298 1066927427 /nfs/dbraw/zinc/92/74/27/1066927427.db2.gz WOZNYPHSMPBXRQ-GOSISDBHSA-N 0 0 459.306 4.687 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)NC[C@H](NCc2ccccc2)C(F)(F)F)c1 ZINC001457817331 1066927625 /nfs/dbraw/zinc/92/76/25/1066927625.db2.gz WOZNYPHSMPBXRQ-SFHVURJKSA-N 0 0 459.306 4.687 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492756012 1066927530 /nfs/dbraw/zinc/92/75/30/1066927530.db2.gz OZTCULQCODDSRW-HZPDHXFCSA-N 0 0 482.551 4.676 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1 ZINC001457820612 1066927877 /nfs/dbraw/zinc/92/78/77/1066927877.db2.gz VHDSJUPFSLQJIP-LJQANCHMSA-N 0 0 452.498 4.734 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2CCCCC(F)(F)C2)n1 ZINC001492756337 1066928103 /nfs/dbraw/zinc/92/81/03/1066928103.db2.gz YEFWXNGQMPLQAS-WOJBJXKFSA-N 0 0 466.646 4.933 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCSc2ccccc2)n1 ZINC001492756445 1066928320 /nfs/dbraw/zinc/92/83/20/1066928320.db2.gz AXBSIULCTOKRNX-OXQOHEQNSA-N 0 0 478.588 4.957 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCOC2CCCCC2)n1 ZINC001492756877 1066928331 /nfs/dbraw/zinc/92/83/31/1066928331.db2.gz ODLTVRUPVCQHIY-OXQOHEQNSA-N 0 0 468.568 4.514 20 0 JJADRN Cc1cccc(F)c1-n1nc(C(=O)N[C@@H](C)Cc2ccccc2Br)c2c1CCC2 ZINC001457822039 1066928510 /nfs/dbraw/zinc/92/85/10/1066928510.db2.gz ZMJBTLAVWSNQSK-HNNXBMFYSA-N 0 0 456.359 4.932 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001492756561 1066928557 /nfs/dbraw/zinc/92/85/57/1066928557.db2.gz FFAVGBDYANSIER-IYBDPMFKSA-N 0 0 491.656 4.864 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC3(F)F)C2)n1 ZINC001492757195 1066928808 /nfs/dbraw/zinc/92/88/08/1066928808.db2.gz CDHMQSDHYPFUKY-VQTJNVASSA-N 0 0 463.621 4.817 20 0 JJADRN COC[C@@H](CNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001457825718 1066928941 /nfs/dbraw/zinc/92/89/41/1066928941.db2.gz VUKCNRLLXMYNEM-RHSMWYFYSA-N 0 0 452.776 4.858 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCCN(C)c3ccccc3)C2)n1 ZINC001492757373 1066928949 /nfs/dbraw/zinc/92/89/49/1066928949.db2.gz FHWBTNPZMVSECW-DEOSSOPVSA-N 0 0 492.716 4.908 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccccc3Cl)N(C)C)C2)n1 ZINC001492757499 1066929008 /nfs/dbraw/zinc/92/90/08/1066929008.db2.gz ZHIGXARUSCTYDF-REWPJTCUSA-N 0 0 499.107 4.657 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCC(C)C)C2)n1 ZINC001492757631 1066929252 /nfs/dbraw/zinc/92/92/52/1066929252.db2.gz JAXTUCQSVOWKHP-OAQYLSRUSA-N 0 0 453.610 4.569 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CCSCc3ccccc3F)C2)n1 ZINC001492757634 1066929380 /nfs/dbraw/zinc/92/93/80/1066929380.db2.gz JBYVRBIKDYXOFM-OAQYLSRUSA-N 0 0 485.677 4.674 20 0 JJADRN Cc1c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)nnn1Cc1ccccc1F ZINC001448452084 1066929390 /nfs/dbraw/zinc/92/93/90/1066929390.db2.gz YNADNULBKNGQPZ-UHFFFAOYSA-N 0 0 450.499 4.732 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC001457828715 1066929369 /nfs/dbraw/zinc/92/93/69/1066929369.db2.gz OIXNTAQVQBAJOM-VWLOTQADSA-N 0 0 452.558 4.667 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(Cl)c3)C2)n1 ZINC001492758154 1066929638 /nfs/dbraw/zinc/92/96/38/1066929638.db2.gz WHIVTQOPBPLUKH-FQEVSTJZSA-N 0 0 486.064 4.724 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001457830102 1066929943 /nfs/dbraw/zinc/92/99/43/1066929943.db2.gz KTCKZOILJHHMKL-UHFFFAOYSA-N 0 0 455.349 4.813 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC001457832299 1066930236 /nfs/dbraw/zinc/93/02/36/1066930236.db2.gz KEHMKHWXBFNJAA-QHCPKHFHSA-N 0 0 454.636 4.797 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCCC(C)C)C2)n1 ZINC001492757844 1066930506 /nfs/dbraw/zinc/93/05/06/1066930506.db2.gz ONEHZYATBUMIHQ-QFIPXVFZSA-N 0 0 453.610 4.569 20 0 JJADRN COc1cc(C(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)cc(OC)c1Br ZINC001448468684 1066930723 /nfs/dbraw/zinc/93/07/23/1066930723.db2.gz SOQVMRUPDVXILD-NRFANRHFSA-N 0 0 457.324 4.504 20 0 JJADRN COc1cc(C(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)cc(OC)c1Br ZINC001448468685 1066930749 /nfs/dbraw/zinc/93/07/49/1066930749.db2.gz SOQVMRUPDVXILD-OAQYLSRUSA-N 0 0 457.324 4.504 20 0 JJADRN CCC[C@H]1CCc2ccccc2N1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001457833795 1066930740 /nfs/dbraw/zinc/93/07/40/1066930740.db2.gz PLAMPPKKOBHDRU-INIZCTEOSA-N 0 0 450.398 4.923 20 0 JJADRN Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(OC(C)(C)C)c1 ZINC001457833259 1066930752 /nfs/dbraw/zinc/93/07/52/1066930752.db2.gz RLDHNMHDDUOBEV-QFIPXVFZSA-N 0 0 458.521 4.978 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492759191 1066930835 /nfs/dbraw/zinc/93/08/35/1066930835.db2.gz BBTVUQATUHGXOO-ROUUACIJSA-N 0 0 463.630 4.533 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001448476103 1066931063 /nfs/dbraw/zinc/93/10/63/1066931063.db2.gz BMERISVMBMXOOF-QGZVFWFLSA-N 0 0 459.775 4.605 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCOC(C)C)CCO2)n1 ZINC001492758923 1066931186 /nfs/dbraw/zinc/93/11/86/1066931186.db2.gz QDEKMFKEJVZRAG-QHCPKHFHSA-N 0 0 487.048 4.522 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)n1 ZINC001492758814 1066931276 /nfs/dbraw/zinc/93/12/76/1066931276.db2.gz NUPBGBNDVKWEAP-UHFFFAOYSA-N 0 0 461.536 4.659 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(C)o4)n3CCSC(F)(F)F)CC2)n1 ZINC001492758833 1066931285 /nfs/dbraw/zinc/93/12/85/1066931285.db2.gz OHIWIPOUNSFZJU-UHFFFAOYSA-N 0 0 468.549 4.829 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006546 1066931448 /nfs/dbraw/zinc/93/14/48/1066931448.db2.gz XHINCZDQHIKRTK-XZOQPEGZSA-N 0 0 483.657 4.892 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001448483331 1066931493 /nfs/dbraw/zinc/93/14/93/1066931493.db2.gz DAWRDAGVTYCURH-UHFFFAOYSA-N 0 0 450.848 4.830 20 0 JJADRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC001448482730 1066931505 /nfs/dbraw/zinc/93/15/05/1066931505.db2.gz ZOHKKUWBNBWVNR-CCDWMCETSA-N 0 0 459.546 4.649 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(F)(F)F)CC2)n1 ZINC001492758982 1066931620 /nfs/dbraw/zinc/93/16/20/1066931620.db2.gz ROJGBFLXIQIDIA-UHFFFAOYSA-N 0 0 475.563 4.582 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001448487505 1066931886 /nfs/dbraw/zinc/93/18/86/1066931886.db2.gz IQZBGXGZBPWDEJ-RBUKOAKNSA-N 0 0 451.876 4.839 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1C(=O)c1cccs1 ZINC001448489134 1066932210 /nfs/dbraw/zinc/93/22/10/1066932210.db2.gz PPGRIORAFQEAEN-MRXNPFEDSA-N 0 0 455.377 4.750 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC001448487808 1066932295 /nfs/dbraw/zinc/93/22/95/1066932295.db2.gz LSALOVWNCMTPBA-UHFFFAOYSA-N 0 0 451.876 4.767 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C(C)(C)C)C2)n1 ZINC001492760571 1066932680 /nfs/dbraw/zinc/93/26/80/1066932680.db2.gz KBGLMMXVYNDJBE-GOSISDBHSA-N 0 0 488.478 4.822 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N(C)CCC(F)(F)F)n1 ZINC001492760647 1066933006 /nfs/dbraw/zinc/93/30/06/1066933006.db2.gz MCRLEKDKVPWCCK-UHFFFAOYSA-N 0 0 485.352 5.000 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001546007048 1066933101 /nfs/dbraw/zinc/93/31/01/1066933101.db2.gz KGZOOPFCINBPEJ-FQEVSTJZSA-N 0 0 450.608 4.880 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)n1 ZINC001492760720 1066933591 /nfs/dbraw/zinc/93/35/91/1066933591.db2.gz ORXRHBRDSWXKBH-HXUWFJFHSA-N 0 0 481.576 4.702 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCCc4c(F)ccc(F)c43)cc2)c1 ZINC001457869651 1066933750 /nfs/dbraw/zinc/93/37/50/1066933750.db2.gz LPSKPQGWRCQKMF-UHFFFAOYSA-N 0 0 452.457 4.584 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)nc3C2)cc1NC(=O)NC(C)(C)C ZINC001448498433 1066933688 /nfs/dbraw/zinc/93/36/88/1066933688.db2.gz AOJVVAFDEPOEGM-LJQANCHMSA-N 0 0 451.615 4.973 20 0 JJADRN COc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2s1 ZINC001448501822 1066934097 /nfs/dbraw/zinc/93/40/97/1066934097.db2.gz WQWJTLPTNMKWKC-UHFFFAOYSA-N 0 0 459.593 4.510 20 0 JJADRN CC[C@@H](C(=O)NCc1nc(-c2ccccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001448501370 1066934276 /nfs/dbraw/zinc/93/42/76/1066934276.db2.gz ITXBNYSAKWVSEP-SFHVURJKSA-N 0 0 456.934 4.524 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 ZINC001492761419 1066934146 /nfs/dbraw/zinc/93/41/46/1066934146.db2.gz MBFDFBYUKVJPIR-QFIPXVFZSA-N 0 0 488.583 4.560 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCOc2ccc(C(F)(F)F)cn2)o1 ZINC001457872708 1066934222 /nfs/dbraw/zinc/93/42/22/1066934222.db2.gz KSWCAFBZSQYHBQ-UHFFFAOYSA-N 0 0 456.424 4.663 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)n1 ZINC001492761839 1066934339 /nfs/dbraw/zinc/93/43/39/1066934339.db2.gz YBQZGFKBHHWRMM-UHFFFAOYSA-N 0 0 463.674 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCc3nc(-c4ccccc4F)cs3)CC2)CC1 ZINC001448504762 1066934622 /nfs/dbraw/zinc/93/46/22/1066934622.db2.gz WJTMULBPCZFQAW-UHFFFAOYSA-N 0 0 459.587 4.993 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1c[nH]nc1-c1ccccc1Cl ZINC001448507555 1066934968 /nfs/dbraw/zinc/93/49/68/1066934968.db2.gz YOADEIRALISWDB-UHFFFAOYSA-N 0 0 456.731 4.608 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001448510441 1066935028 /nfs/dbraw/zinc/93/50/28/1066935028.db2.gz ROUBKPUWZXRBDI-SAABIXHNSA-N 0 0 450.526 4.998 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2ccon2)n1 ZINC001492762241 1066934958 /nfs/dbraw/zinc/93/49/58/1066934958.db2.gz KPZLDVFKFDQHFF-UHFFFAOYSA-N 0 0 490.395 4.692 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC3CC3)nnc2N(C)Cc2ccccc2Br)n1 ZINC001492762380 1066935146 /nfs/dbraw/zinc/93/51/46/1066935146.db2.gz PQCQTAXWMQNOLJ-UHFFFAOYSA-N 0 0 457.420 4.533 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)c3csc(-c4ccccc4Cl)n3)CC2)c1 ZINC001457880674 1066935362 /nfs/dbraw/zinc/93/53/62/1066935362.db2.gz WKTRGMQNYUWQGY-UHFFFAOYSA-N 0 0 457.983 4.833 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001448512823 1066935688 /nfs/dbraw/zinc/93/56/88/1066935688.db2.gz VNVUFENUUAOPLP-CZIWCDLHSA-N 0 0 459.249 4.915 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)n1 ZINC001492762633 1066935725 /nfs/dbraw/zinc/93/57/25/1066935725.db2.gz YZPIJGCNMJGXHD-RBUKOAKNSA-N 0 0 475.062 4.744 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001448522897 1066936061 /nfs/dbraw/zinc/93/60/61/1066936061.db2.gz WHYOYUMHJSKECX-QFBILLFUSA-N 0 0 456.302 4.735 20 0 JJADRN COc1cccc(C(F)F)c1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001457885038 1066936049 /nfs/dbraw/zinc/93/60/49/1066936049.db2.gz NBBIFMLCKHVEEI-JTQLQIEISA-N 0 0 452.255 4.936 20 0 JJADRN C[C@@H](NC(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457885009 1066936068 /nfs/dbraw/zinc/93/60/68/1066936068.db2.gz MXMNCNSLIWCZEO-LLVKDONJSA-N 0 0 456.325 4.509 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(N)=O ZINC001448532500 1066936525 /nfs/dbraw/zinc/93/65/25/1066936525.db2.gz PPTHJENALBWBOS-FQEVSTJZSA-N 0 0 455.986 4.784 20 0 JJADRN Cc1c(C(=O)N2CCC(O)(c3scnc3Br)CC2)sc2cccc(F)c12 ZINC001448536013 1066936790 /nfs/dbraw/zinc/93/67/90/1066936790.db2.gz IJIKRHMSCSHHKT-UHFFFAOYSA-N 0 0 455.374 4.692 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3cnc(-c4ccccc4Br)s3)CC2)cn1 ZINC001457889606 1066936765 /nfs/dbraw/zinc/93/67/65/1066936765.db2.gz CNBARMVFNZYQLA-UHFFFAOYSA-N 0 0 458.381 4.996 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H]2C)s1 ZINC001492765459 1066936952 /nfs/dbraw/zinc/93/69/52/1066936952.db2.gz HQBXZYTWJWHJHA-NSHDSACASA-N 0 0 453.435 4.551 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cn1 ZINC001457889876 1066936940 /nfs/dbraw/zinc/93/69/40/1066936940.db2.gz DUCFYPANNFRMNR-JPYJTQIMSA-N 0 0 453.583 4.698 20 0 JJADRN Cc1nc(COc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)cc2)no1 ZINC001457888027 1066936949 /nfs/dbraw/zinc/93/69/49/1066936949.db2.gz PXUYAMLMDRLJAA-UHFFFAOYSA-N 0 0 458.248 4.795 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N(C)CCC(F)F)s1 ZINC001492765559 1066937212 /nfs/dbraw/zinc/93/72/12/1066937212.db2.gz KOWWFXKZMANCGZ-UHFFFAOYSA-N 0 0 471.375 4.592 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492765514 1066937234 /nfs/dbraw/zinc/93/72/34/1066937234.db2.gz JFNXDIHMQQDCMF-MRXNPFEDSA-N 0 0 498.056 4.949 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492765546 1066937341 /nfs/dbraw/zinc/93/73/41/1066937341.db2.gz KBLUEDYDFKPJSW-OLZOCXBDSA-N 0 0 467.039 4.861 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H]2C)s1 ZINC001492765590 1066937413 /nfs/dbraw/zinc/93/74/13/1066937413.db2.gz LKDBLKAHTWTOEE-NWDGAFQWSA-N 0 0 467.462 4.797 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)s1 ZINC001492765749 1066937856 /nfs/dbraw/zinc/93/78/56/1066937856.db2.gz QBWNYTLRSWYRNN-HUUCEWRRSA-N 0 0 475.460 4.983 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(Cl)cc1Br ZINC001457896570 1066937957 /nfs/dbraw/zinc/93/79/57/1066937957.db2.gz UYGWMZNIFCOIKE-HNNXBMFYSA-N 0 0 450.638 4.506 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 ZINC001448541214 1066938036 /nfs/dbraw/zinc/93/80/36/1066938036.db2.gz OXDCJEILGFDGMU-UHFFFAOYSA-N 0 0 456.612 4.761 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2F)s1 ZINC001492765849 1066938030 /nfs/dbraw/zinc/93/80/30/1066938030.db2.gz UILJUTLHPQUJJQ-UHFFFAOYSA-N 0 0 457.966 4.562 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3F)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492765856 1066938063 /nfs/dbraw/zinc/93/80/63/1066938063.db2.gz UVLHDRXLEDRUAG-UHFFFAOYSA-N 0 0 472.634 4.908 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCc2nccs2)s1 ZINC001492765902 1066938081 /nfs/dbraw/zinc/93/80/81/1066938081.db2.gz WAZWNPGMGGMEJP-UHFFFAOYSA-N 0 0 478.022 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC001457897986 1066938496 /nfs/dbraw/zinc/93/84/96/1066938496.db2.gz JGSJBFOWNSIABU-QVNIBDNGSA-N 0 0 455.986 4.978 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)ccc1F ZINC001448567595 1066939298 /nfs/dbraw/zinc/93/92/98/1066939298.db2.gz WACXHYANBYAMDE-RBBKRZOGSA-N 0 0 458.942 4.874 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCC1 ZINC001448576788 1066939716 /nfs/dbraw/zinc/93/97/16/1066939716.db2.gz KIAMZFAIAWMUGN-XUTJKUGGSA-N 0 0 459.512 4.880 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)s1 ZINC001492766926 1066939835 /nfs/dbraw/zinc/93/98/35/1066939835.db2.gz AATSLTRYIWRYAU-LPHOPBHVSA-N 0 0 458.607 4.804 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 ZINC001457908147 1066939841 /nfs/dbraw/zinc/93/98/41/1066939841.db2.gz MBLMJRKUTXUKQI-UHFFFAOYSA-N 0 0 452.454 4.710 20 0 JJADRN CN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001457909675 1066940185 /nfs/dbraw/zinc/94/01/85/1066940185.db2.gz FVMXNTOXAWWAQM-LJQANCHMSA-N 0 0 455.839 4.720 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492767209 1066940288 /nfs/dbraw/zinc/94/02/88/1066940288.db2.gz KIYCUGQIRMEDIQ-LMMKCTJWSA-N 0 0 489.690 4.625 20 0 JJADRN O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cc(Cl)cc(F)c1Br ZINC001457911995 1066940588 /nfs/dbraw/zinc/94/05/88/1066940588.db2.gz PKSYQXJYGMGRCD-UHFFFAOYSA-N 0 0 452.610 4.502 20 0 JJADRN Cc1cc(Cl)cc(C(=O)Nc2ncc(Br)cc2I)c1 ZINC001457913442 1066940601 /nfs/dbraw/zinc/94/06/01/1066940601.db2.gz ONVULQQELFAXHF-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1nnc(CCCn2c(N(C)Cc3csc(Br)c3)nnc2C(C)(C)C)s1 ZINC001492767655 1066940606 /nfs/dbraw/zinc/94/06/06/1066940606.db2.gz WYLLZTZZXWHJDL-UHFFFAOYSA-N 0 0 469.478 4.829 20 0 JJADRN COCc1nc2sc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3C)c(C)c2c(OC)n1 ZINC001448593643 1066940693 /nfs/dbraw/zinc/94/06/93/1066940693.db2.gz QPGNOJGMJPKIOC-AWEZNQCLSA-N 0 0 453.486 4.887 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC001448585883 1066940722 /nfs/dbraw/zinc/94/07/22/1066940722.db2.gz HBGXIZFHYPBGRI-FQEVSTJZSA-N 0 0 452.595 4.730 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001546008145 1066940729 /nfs/dbraw/zinc/94/07/29/1066940729.db2.gz LGGZJDZTPCJHSG-RTWAWAEBSA-N 0 0 454.594 4.619 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H]2CC=CCC2)s1 ZINC001492767736 1066940857 /nfs/dbraw/zinc/94/08/57/1066940857.db2.gz CGURAZMFKBEWNT-MRXNPFEDSA-N 0 0 473.444 4.903 20 0 JJADRN Cc1nnc(CCCn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492767801 1066940949 /nfs/dbraw/zinc/94/09/49/1066940949.db2.gz ZTKYQHNFUULSKE-HDICACEKSA-N 0 0 456.685 4.576 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC001457917107 1066941430 /nfs/dbraw/zinc/94/14/30/1066941430.db2.gz NACLEDUYECQIOC-HXUWFJFHSA-N 0 0 455.558 4.861 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC001457916849 1066941489 /nfs/dbraw/zinc/94/14/89/1066941489.db2.gz VJLHXFRHLPLVDV-VIFPVBQESA-N 0 0 452.296 4.937 20 0 JJADRN Cc1nc(NC(=O)Cc2cccnc2Br)sc1Cc1ccc(F)c(F)c1F ZINC001448607406 1066941587 /nfs/dbraw/zinc/94/15/87/1066941587.db2.gz LMLQUJNCISLHPV-UHFFFAOYSA-N 0 0 456.287 4.798 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492767906 1066941551 /nfs/dbraw/zinc/94/15/51/1066941551.db2.gz GICYDTOURQSYBZ-KXBFYZLASA-N 0 0 491.061 4.725 20 0 JJADRN Cc1nc(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)sc1Cc1ccc(F)cc1F ZINC001448612371 1066941980 /nfs/dbraw/zinc/94/19/80/1066941980.db2.gz ZINLONZWQSYBMF-OKILXGFUSA-N 0 0 458.534 4.581 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492768062 1066941859 /nfs/dbraw/zinc/94/18/59/1066941859.db2.gz MDDMVRRXNFUEMR-ZACQAIPSSA-N 0 0 491.061 4.705 20 0 JJADRN CC(C)(C)c1ccc(C(=O)Nc2ncc(Br)cc2I)cc1 ZINC001457921766 1066942305 /nfs/dbraw/zinc/94/23/05/1066942305.db2.gz ZMUBGEKRHHPUAA-UHFFFAOYSA-N 0 0 459.125 4.999 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cc21 ZINC001448615017 1066942341 /nfs/dbraw/zinc/94/23/41/1066942341.db2.gz SOCNOOVYEBPDCC-RISCZKNCSA-N 0 0 451.267 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)CCCC[C@H]12 ZINC001448619067 1066942803 /nfs/dbraw/zinc/94/28/03/1066942803.db2.gz DRFVKHYVDKWLTA-HFZDXXHNSA-N 0 0 458.574 4.817 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492770236 1066943024 /nfs/dbraw/zinc/94/30/24/1066943024.db2.gz NHVPUBFJBBLNBR-UHFFFAOYSA-N 0 0 474.915 4.919 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](C(C)C)C2)s1 ZINC001492769831 1066943068 /nfs/dbraw/zinc/94/30/68/1066943068.db2.gz JBVXFEOJGNDZGF-HXUWFJFHSA-N 0 0 454.644 4.749 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(C)C)C2)s1 ZINC001492769685 1066943141 /nfs/dbraw/zinc/94/31/41/1066943141.db2.gz GQALSYBJQNXWGY-QGZVFWFLSA-N 0 0 461.035 4.786 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001457934915 1066943385 /nfs/dbraw/zinc/94/33/85/1066943385.db2.gz JYQYNCUTWLRZFT-BZNIZROVSA-N 0 0 459.167 4.815 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)co1 ZINC001448618563 1066943407 /nfs/dbraw/zinc/94/34/07/1066943407.db2.gz DBZHCYHEMUBSCM-BQYQJAHWSA-N 0 0 455.942 4.827 20 0 JJADRN O=C(CCCCCc1ccc(O)cc1)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001457933870 1066943444 /nfs/dbraw/zinc/94/34/44/1066943444.db2.gz OOERUASWGOHDMZ-HXUWFJFHSA-N 0 0 454.533 4.535 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C(C)C)CC2)s1 ZINC001492770993 1066943523 /nfs/dbraw/zinc/94/35/23/1066943523.db2.gz HEIUGDHRFKAHPZ-UHFFFAOYSA-N 0 0 461.433 4.788 20 0 JJADRN CC[C@H](OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1c(F)cccc1Cl ZINC001457936796 1066943849 /nfs/dbraw/zinc/94/38/49/1066943849.db2.gz BHPZYXLJAHJSSJ-HNNXBMFYSA-N 0 0 454.679 4.532 20 0 JJADRN Cc1nnc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492771274 1066943961 /nfs/dbraw/zinc/94/39/61/1066943961.db2.gz MTBZGWCIJIVPRW-UHFFFAOYSA-N 0 0 485.948 4.918 20 0 JJADRN Cc1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](OC(C)(C)C)C2)s1 ZINC001492771464 1066943971 /nfs/dbraw/zinc/94/39/71/1066943971.db2.gz HGSYEZKCJXHARM-OAHLLOKOSA-N 0 0 491.459 4.700 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N(Cc2cccc(F)c2)C(C)C)s1 ZINC001492771235 1066944031 /nfs/dbraw/zinc/94/40/31/1066944031.db2.gz CWNJVUGGPFYLQL-UHFFFAOYSA-N 0 0 457.966 4.756 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001457938154 1066944278 /nfs/dbraw/zinc/94/42/78/1066944278.db2.gz XBXKNDZSLGFGLO-UHFFFAOYSA-N 0 0 455.971 4.861 20 0 JJADRN CC(C)C[C@H](NC(=O)c1scc(Br)c1Br)C(=O)OC(C)(C)C ZINC001457938839 1066944336 /nfs/dbraw/zinc/94/43/36/1066944336.db2.gz JNWIPIOMLBFRRX-JTQLQIEISA-N 0 0 455.212 4.759 20 0 JJADRN O=C(COc1ccccc1C(F)(F)F)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448621617 1066944309 /nfs/dbraw/zinc/94/43/09/1066944309.db2.gz OHTFCIOGAAQOJQ-UHFFFAOYSA-N 0 0 457.290 4.950 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](C)[C@H](C)C2)s1 ZINC001492771690 1066944345 /nfs/dbraw/zinc/94/43/45/1066944345.db2.gz SGDLELHQZPAPRW-GXTWGEPZSA-N 0 0 461.433 4.707 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001492771799 1066944384 /nfs/dbraw/zinc/94/43/84/1066944384.db2.gz MIOGXMORKKETOW-MRXNPFEDSA-N 0 0 453.012 4.524 20 0 JJADRN CS(=O)(=O)CC1(CCNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 ZINC001457942638 1066944666 /nfs/dbraw/zinc/94/46/66/1066944666.db2.gz SLHLAMQDNGYXLH-UHFFFAOYSA-N 0 0 454.564 4.690 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001448623091 1066944746 /nfs/dbraw/zinc/94/47/46/1066944746.db2.gz YUBPIIIUMXLNEE-JOCQHMNTSA-N 0 0 456.237 4.931 20 0 JJADRN Cc1nc(SCC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)[nH]c1Cc1ccccc1 ZINC001457945522 1066945041 /nfs/dbraw/zinc/94/50/41/1066945041.db2.gz DNJJMLRMESSQAA-LJQANCHMSA-N 0 0 450.391 4.558 20 0 JJADRN Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)nc1 ZINC001457944489 1066945105 /nfs/dbraw/zinc/94/51/05/1066945105.db2.gz UZZPISXDBBTYHV-UHFFFAOYSA-N 0 0 451.383 4.737 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)cnn1Cc1ccccc1 ZINC001457944615 1066945190 /nfs/dbraw/zinc/94/51/90/1066945190.db2.gz BROIXPAVFATEAT-UHFFFAOYSA-N 0 0 457.530 4.841 20 0 JJADRN CS(=O)(=O)[C@@H]1CCCCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001448630013 1066945192 /nfs/dbraw/zinc/94/51/92/1066945192.db2.gz JMXOUWMZMDLOFP-IFMALSPDSA-N 0 0 452.041 4.588 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492773388 1066945181 /nfs/dbraw/zinc/94/51/81/1066945181.db2.gz FIYMQYCWGWKMNO-JKSUJKDBSA-N 0 0 472.684 4.693 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC001492773284 1066945251 /nfs/dbraw/zinc/94/52/51/1066945251.db2.gz AODZTJNJTGEMDM-PBHICJAKSA-N 0 0 491.459 4.843 20 0 JJADRN Cc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492773170 1066945311 /nfs/dbraw/zinc/94/53/11/1066945311.db2.gz XRNFMMUXLTWXOU-NRFANRHFSA-N 0 0 475.062 4.678 20 0 JJADRN Cc1nnc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2C)s1 ZINC001492772620 1066945339 /nfs/dbraw/zinc/94/53/39/1066945339.db2.gz FTSNPOMVSGCDHM-FQEVSTJZSA-N 0 0 497.669 4.546 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cccc2cccc(Br)c21 ZINC001448627799 1066945403 /nfs/dbraw/zinc/94/54/03/1066945403.db2.gz GTXSGECQEUQHJH-ZDUSSCGKSA-N 0 0 452.270 4.601 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 ZINC001448624943 1066945433 /nfs/dbraw/zinc/94/54/33/1066945433.db2.gz ZNMPBDGJVARVFZ-UHFFFAOYSA-N 0 0 459.384 4.914 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(I)cn2)c(O[C@@H](C)CC(C)C)c1 ZINC001457946462 1066945527 /nfs/dbraw/zinc/94/55/27/1066945527.db2.gz QUTLTTRYLGLQTM-HNNXBMFYSA-N 0 0 452.336 4.738 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)c1 ZINC001457946738 1066945582 /nfs/dbraw/zinc/94/55/82/1066945582.db2.gz IHGOSXMSELPVLP-UHFFFAOYSA-N 0 0 456.882 4.866 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCNc1ncc(Cl)cc1Cl ZINC001492774355 1066945693 /nfs/dbraw/zinc/94/56/93/1066945693.db2.gz GHZUBAOFWZKDKC-AWEZNQCLSA-N 0 0 490.395 4.554 20 0 JJADRN COc1cccc(/C=C/c2cc(C(=O)NCC[C@H](C)O)c3cc(Br)ccc3n2)c1 ZINC001457948116 1066945886 /nfs/dbraw/zinc/94/58/86/1066945886.db2.gz DDJGDBAIPWWUOE-VFADXPBXSA-N 0 0 455.352 4.677 20 0 JJADRN Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492774615 1066946169 /nfs/dbraw/zinc/94/61/69/1066946169.db2.gz KUSLAGHURVLBQI-GDTDKIKOSA-N 0 0 467.639 4.676 20 0 JJADRN CCn1c(SCC(=O)Nc2cn(C)nc2C(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001448644365 1066946352 /nfs/dbraw/zinc/94/63/52/1066946352.db2.gz DWWSIWATASIGGO-UHFFFAOYSA-N 0 0 453.399 4.860 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001448639131 1066946385 /nfs/dbraw/zinc/94/63/85/1066946385.db2.gz YXLDEZJTOVVDAV-CYBMUJFWSA-N 0 0 459.395 4.640 20 0 JJADRN Cc1nnc(N(C)[C@@H](C)CCc2ccc(O)cc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492776372 1066946705 /nfs/dbraw/zinc/94/67/05/1066946705.db2.gz XKCOTVSFVBTJSA-UGKGYDQZSA-N 0 0 471.646 4.929 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC001448652350 1066946787 /nfs/dbraw/zinc/94/67/87/1066946787.db2.gz QAEWDSUOWHIZEB-HFJWLAOPSA-N 0 0 454.542 4.517 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001546008666 1066946851 /nfs/dbraw/zinc/94/68/51/1066946851.db2.gz VDGDNNFCQVUEEZ-XZOQPEGZSA-N 0 0 493.656 4.785 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC001457950450 1066946855 /nfs/dbraw/zinc/94/68/55/1066946855.db2.gz DPEWSOILFZDGEX-UHFFFAOYSA-N 0 0 457.431 4.763 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC001448661635 1066947197 /nfs/dbraw/zinc/94/71/97/1066947197.db2.gz LHYXZNVSBVURMF-BJLQDIEVSA-N 0 0 454.567 4.523 20 0 JJADRN Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492779436 1066947569 /nfs/dbraw/zinc/94/75/69/1066947569.db2.gz DHHFLDPEVCSPMJ-ZFWWWQNUSA-N 0 0 476.446 4.922 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)c2)n1 ZINC001457955137 1066948004 /nfs/dbraw/zinc/94/80/04/1066948004.db2.gz NOMYJKZDHWMTEN-IRXDYDNUSA-N 0 0 453.564 4.569 20 0 JJADRN CCCc1c(NC(=O)c2ccc(-n3cc(C)cn3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448674484 1066948629 /nfs/dbraw/zinc/94/86/29/1066948629.db2.gz LGABKQFAWYTTIL-UHFFFAOYSA-N 0 0 451.477 4.858 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001448677385 1066949532 /nfs/dbraw/zinc/94/95/32/1066949532.db2.gz YIAJXDIVIDWYNS-UHFFFAOYSA-N 0 0 459.587 4.797 20 0 JJADRN Cc1nnc(N(C)CCOc2ccccc2Cl)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492787865 1066949664 /nfs/dbraw/zinc/94/96/64/1066949664.db2.gz RSAGUNBWUINQRL-UHFFFAOYSA-N 0 0 455.990 4.910 20 0 JJADRN CCCc1c(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001448679351 1066950025 /nfs/dbraw/zinc/95/00/25/1066950025.db2.gz UXLAARLQKVWLJL-GFCCVEGCSA-N 0 0 451.420 4.796 20 0 JJADRN Cc1nnc(N(Cc2ccco2)Cc2cccs2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001492789426 1066950050 /nfs/dbraw/zinc/95/00/50/1066950050.db2.gz XUZRSWJFFHSMSH-UHFFFAOYSA-N 0 0 463.485 4.832 20 0 JJADRN Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001492794035 1066950460 /nfs/dbraw/zinc/95/04/60/1066950460.db2.gz VESQJDACOONZEG-DZFGPLHGSA-N 0 0 475.659 4.794 20 0 JJADRN Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492792608 1066950471 /nfs/dbraw/zinc/95/04/71/1066950471.db2.gz AKKBCVBAPORPBI-KPZWWZAWSA-N 0 0 454.930 4.918 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001492790957 1066950487 /nfs/dbraw/zinc/95/04/87/1066950487.db2.gz VVHFZHBXADUNTM-SHTZXODSSA-N 0 0 465.392 4.667 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3cccc(Br)c3n2)c1 ZINC001457978678 1066950632 /nfs/dbraw/zinc/95/06/32/1066950632.db2.gz GVNXWSPTBLPSPE-UHFFFAOYSA-N 0 0 453.745 4.697 20 0 JJADRN COc1cc(C2(C(=O)NCc3noc(-c4cccc(Br)c4)n3)CCC2)ccc1C ZINC001448685243 1066950806 /nfs/dbraw/zinc/95/08/06/1066950806.db2.gz LNWASFIICZVKKE-UHFFFAOYSA-N 0 0 456.340 4.554 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3cnc4sc(C)cn4c3=O)ccc2OC(F)F)cc1 ZINC001448684412 1066950887 /nfs/dbraw/zinc/95/08/87/1066950887.db2.gz IRIHADIEYSAFEI-UHFFFAOYSA-N 0 0 457.458 4.594 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](CF)C3)c2)cc1 ZINC001457980215 1066951026 /nfs/dbraw/zinc/95/10/26/1066951026.db2.gz BDYXLWSAVRFCJB-QGZVFWFLSA-N 0 0 452.979 4.915 20 0 JJADRN CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001546008922 1066951348 /nfs/dbraw/zinc/95/13/48/1066951348.db2.gz ZMAASMSDIPNDAR-FGZHOGPDSA-N 0 0 496.656 4.542 20 0 JJADRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001457982423 1066951458 /nfs/dbraw/zinc/95/14/58/1066951458.db2.gz KPNULOXLYVFSIF-KRWDZBQOSA-N 0 0 453.363 4.921 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)c1ccc(OC)cc1OC ZINC001457982799 1066951624 /nfs/dbraw/zinc/95/16/24/1066951624.db2.gz LVRYVPIUUAZJJW-NRFANRHFSA-N 0 0 455.457 4.683 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492798476 1066951796 /nfs/dbraw/zinc/95/17/96/1066951796.db2.gz GYQIAKBOZVXJAR-HKUYNNGSSA-N 0 0 457.644 4.651 20 0 JJADRN CC(C)[C@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC001448688280 1066951844 /nfs/dbraw/zinc/95/18/44/1066951844.db2.gz IUOZCLOFIAQMGR-RRPNLBNLSA-N 0 0 451.611 4.516 20 0 JJADRN CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CNC(=O)N1CCCC1 ZINC001448688294 1066951868 /nfs/dbraw/zinc/95/18/68/1066951868.db2.gz PNIARMRZTKIRQQ-SFHVURJKSA-N 0 0 452.437 4.942 20 0 JJADRN Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492798629 1066952130 /nfs/dbraw/zinc/95/21/30/1066952130.db2.gz JGCMWQUOPLGZFC-WMZOPIPTSA-N 0 0 455.628 4.783 20 0 JJADRN CC(C)[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@@H](O)c1ccccc1 ZINC001448701247 1066952540 /nfs/dbraw/zinc/95/25/40/1066952540.db2.gz XFWSFYGZOJVTCW-RTWAWAEBSA-N 0 0 450.539 4.623 20 0 JJADRN Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492799134 1066952680 /nfs/dbraw/zinc/95/26/80/1066952680.db2.gz WAMYSKPAOHTTJF-MRXNPFEDSA-N 0 0 497.562 4.706 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)cc1OC ZINC001448696994 1066952706 /nfs/dbraw/zinc/95/27/06/1066952706.db2.gz SYQMWZZWFSPMQH-VQTJNVASSA-N 0 0 450.373 4.735 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CCO1 ZINC001546095765 1066952724 /nfs/dbraw/zinc/95/27/24/1066952724.db2.gz UAARRKACEKUYRO-ATIYNZHBSA-N 0 0 451.590 4.848 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CCO1 ZINC001546095767 1066952808 /nfs/dbraw/zinc/95/28/08/1066952808.db2.gz UAARRKACEKUYRO-GJZUVCINSA-N 0 0 451.590 4.848 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001457987259 1066952826 /nfs/dbraw/zinc/95/28/26/1066952826.db2.gz BRTOYHBSGATRFN-SANMLTNESA-N 0 0 456.586 4.785 20 0 JJADRN CC[C@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001448719778 1066953051 /nfs/dbraw/zinc/95/30/51/1066953051.db2.gz GIRKXFQEALXCRY-HSZRJFAPSA-N 0 0 452.595 4.809 20 0 JJADRN COc1cc(SC)ccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001448717810 1066953061 /nfs/dbraw/zinc/95/30/61/1066953061.db2.gz FBIJSQSZWHVMKP-OAQYLSRUSA-N 0 0 451.548 4.948 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001457988075 1066953333 /nfs/dbraw/zinc/95/33/33/1066953333.db2.gz XGXIOOLEEWXZIP-HNNXBMFYSA-N 0 0 451.201 4.783 20 0 JJADRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448717585 1066953190 /nfs/dbraw/zinc/95/31/90/1066953190.db2.gz CBBGKOSSDZWHFG-UHFFFAOYSA-N 0 0 456.892 4.987 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448722043 1066953345 /nfs/dbraw/zinc/95/33/45/1066953345.db2.gz PBLHCDMHSBDDNM-UHFFFAOYSA-N 0 0 452.986 4.908 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448723245 1066953413 /nfs/dbraw/zinc/95/34/13/1066953413.db2.gz QCCOHMBVOJRBMT-UHFFFAOYSA-N 0 0 454.061 4.866 20 0 JJADRN O=C(CSc1cccc(Br)c1)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC001448722068 1066953430 /nfs/dbraw/zinc/95/34/30/1066953430.db2.gz PJWPNSXGIHEORC-UHFFFAOYSA-N 0 0 455.805 4.666 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001457990610 1066953652 /nfs/dbraw/zinc/95/36/52/1066953652.db2.gz ZCIWETSRSYDAIO-UHFFFAOYSA-N 0 0 452.654 4.948 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001448724516 1066953801 /nfs/dbraw/zinc/95/38/01/1066953801.db2.gz UMGPEXLTXUKHTP-ZTFGCOKTSA-N 0 0 459.222 4.686 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)s2)cc1 ZINC001448723648 1066953840 /nfs/dbraw/zinc/95/38/40/1066953840.db2.gz RRSXKRAQJVOZFQ-UHFFFAOYSA-N 0 0 457.983 4.865 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001457993497 1066954073 /nfs/dbraw/zinc/95/40/73/1066954073.db2.gz FUCNBANHOHJUJZ-KDOFPFPSSA-N 0 0 457.958 4.820 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)OCCc2sccc21 ZINC001492805072 1066954286 /nfs/dbraw/zinc/95/42/86/1066954286.db2.gz YGFHQBKSJFXPBB-VWLOTQADSA-N 0 0 489.686 4.610 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001448732848 1066954811 /nfs/dbraw/zinc/95/48/11/1066954811.db2.gz HOIPDLXQAICPBZ-RRPUWOKSSA-N 0 0 452.599 4.613 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1OC ZINC001457998236 1066955063 /nfs/dbraw/zinc/95/50/63/1066955063.db2.gz LINNGBCBSBBQPH-UHFFFAOYSA-N 0 0 451.331 4.842 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC001458000207 1066955386 /nfs/dbraw/zinc/95/53/86/1066955386.db2.gz ORLUNDKBCLOAFI-IBGZPJMESA-N 0 0 451.527 4.671 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)C1CC1 ZINC001492837090 1066955765 /nfs/dbraw/zinc/95/57/65/1066955765.db2.gz DFTFUCBXLBHDIE-OFAXGOBFSA-N 0 0 453.631 4.910 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2o1 ZINC001492838040 1066955775 /nfs/dbraw/zinc/95/57/75/1066955775.db2.gz LESJNJFQXZYKTE-PXNSSMCTSA-N 0 0 453.587 4.705 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)C1 ZINC001546009464 1066956281 /nfs/dbraw/zinc/95/62/81/1066956281.db2.gz OWSMZGHJMIZEIS-SKCUWOTOSA-N 0 0 470.654 4.796 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001492838517 1066956229 /nfs/dbraw/zinc/95/62/29/1066956229.db2.gz NHUFHUMUKOLZRI-INIZCTEOSA-N 0 0 478.906 4.557 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)CC2)c1 ZINC001448775012 1066956576 /nfs/dbraw/zinc/95/65/76/1066956576.db2.gz NCFPAWKXRMYUMM-UHFFFAOYSA-N 0 0 455.352 4.622 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001492844670 1066956592 /nfs/dbraw/zinc/95/65/92/1066956592.db2.gz QKIQHBCOUMEIOD-OYNPSCLESA-N 0 0 477.694 4.946 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)nc1)c1ccccc1 ZINC001448773451 1066956590 /nfs/dbraw/zinc/95/65/90/1066956590.db2.gz KYKRGIIZRBDKNU-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC001458013201 1066956632 /nfs/dbraw/zinc/95/66/32/1066956632.db2.gz LKQAALFHMIAGDK-DYESRHJHSA-N 0 0 456.533 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001458012886 1066956748 /nfs/dbraw/zinc/95/67/48/1066956748.db2.gz PGMIEPQWSLCSDD-FCHUYYIVSA-N 0 0 451.567 4.639 20 0 JJADRN O=C(CCOc1ccccc1Br)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448775045 1066957046 /nfs/dbraw/zinc/95/70/46/1066957046.db2.gz NJRFMILALDCSSB-CQSZACIVSA-N 0 0 458.183 4.920 20 0 JJADRN O=C([C@H](Sc1ccc(F)c(F)c1)c1ccccc1)N1CCC(O)(Cc2ccncc2)CC1 ZINC001448783879 1066957687 /nfs/dbraw/zinc/95/76/87/1066957687.db2.gz YKXSBHRTFXAUGL-HSZRJFAPSA-N 0 0 454.542 4.789 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492847893 1066957702 /nfs/dbraw/zinc/95/77/02/1066957702.db2.gz LOOAENJAKBNSSG-IBGZPJMESA-N 0 0 477.650 4.742 20 0 JJADRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001448795626 1066958001 /nfs/dbraw/zinc/95/80/01/1066958001.db2.gz ZPGKOJWCAXFHFE-HRAATJIYSA-N 0 0 456.340 4.825 20 0 JJADRN O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CCc2ccsc2C1 ZINC001458027798 1066958042 /nfs/dbraw/zinc/95/80/42/1066958042.db2.gz QSWZBJQWTDSYDH-UHFFFAOYSA-N 0 0 450.944 4.540 20 0 JJADRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001448795637 1066958015 /nfs/dbraw/zinc/95/80/15/1066958015.db2.gz ZPGKOJWCAXFHFE-IERDGZPVSA-N 0 0 456.340 4.825 20 0 JJADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001492851330 1066958423 /nfs/dbraw/zinc/95/84/23/1066958423.db2.gz CGWZJVJWICXMNE-LJQANCHMSA-N 0 0 462.520 4.726 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC001448800007 1066958634 /nfs/dbraw/zinc/95/86/34/1066958634.db2.gz VQRDUAUFUUMQQW-ZDUSSCGKSA-N 0 0 455.288 4.816 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2ccccc21 ZINC001492851522 1066958531 /nfs/dbraw/zinc/95/85/31/1066958531.db2.gz FHYLMMAYILXKEL-WOJBJXKFSA-N 0 0 475.584 4.788 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)OCc3ccc(Cl)nc3C)CC2)c2ccccc12 ZINC001458033345 1066958716 /nfs/dbraw/zinc/95/87/16/1066958716.db2.gz NHZJOVMKRPLJMF-UHFFFAOYSA-N 0 0 452.938 4.801 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC1(c2cccc(F)c2)CC1 ZINC001492851771 1066958861 /nfs/dbraw/zinc/95/88/61/1066958861.db2.gz JXQPGZNVNIVKLG-FQEVSTJZSA-N 0 0 493.574 4.928 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001492851849 1066958867 /nfs/dbraw/zinc/95/88/67/1066958867.db2.gz LIOYWPSXIXHZKM-QFBILLFUSA-N 0 0 481.954 4.600 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCOc1ccccc1Cl ZINC001492851879 1066958950 /nfs/dbraw/zinc/95/89/50/1066958950.db2.gz MFAXGRHKXLYJJC-KRWDZBQOSA-N 0 0 499.990 4.790 20 0 JJADRN Cc1ccc(S(=O)(=O)NCC(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)cc1C ZINC001546009726 1066959031 /nfs/dbraw/zinc/95/90/31/1066959031.db2.gz XMIAZGAFJHQFFH-UHFFFAOYSA-N 0 0 456.652 4.507 20 0 JJADRN Cc1c(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1NC(=O)N(C)C ZINC001448803984 1066959043 /nfs/dbraw/zinc/95/90/43/1066959043.db2.gz ZOLJMMJLYJLLEG-LJQANCHMSA-N 0 0 454.571 4.553 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)cc(Cl)c1F ZINC001448805174 1066959094 /nfs/dbraw/zinc/95/90/94/1066959094.db2.gz IWALVGPOZZKBHA-UHFFFAOYSA-N 0 0 453.651 4.534 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1(Sc2ccccc2)CC1 ZINC001492853206 1066959377 /nfs/dbraw/zinc/95/93/77/1066959377.db2.gz ZKXJKCCLDIADRO-LJQANCHMSA-N 0 0 457.644 4.653 20 0 JJADRN COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2(C)C(C)(C)C2(C)C)ccc1Cl ZINC001458040201 1066959510 /nfs/dbraw/zinc/95/95/10/1066959510.db2.gz TYBZUQDJVFBDEF-UHFFFAOYSA-N 0 0 450.988 4.704 20 0 JJADRN Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492897720 1066959809 /nfs/dbraw/zinc/95/98/09/1066959809.db2.gz FKGCUPCRGYBPKJ-IBGZPJMESA-N 0 0 466.655 4.564 20 0 JJADRN Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CC(F)(F)Br ZINC001492901732 1066959904 /nfs/dbraw/zinc/95/99/04/1066959904.db2.gz LPOQNGDJULZQEH-UHFFFAOYSA-N 0 0 488.686 4.573 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCc1ccc(Cl)s1 ZINC001492940706 1066960262 /nfs/dbraw/zinc/96/02/62/1066960262.db2.gz CGWHYZVOAGNWBB-QGZVFWFLSA-N 0 0 467.820 4.885 20 0 JJADRN Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1Cc1ccsc1Br ZINC001492926518 1066960416 /nfs/dbraw/zinc/96/04/16/1066960416.db2.gz FWRCFMXKSQJHAW-UHFFFAOYSA-N 0 0 495.516 4.535 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492910006 1066960440 /nfs/dbraw/zinc/96/04/40/1066960440.db2.gz ZUDCFUDTFIMBDI-HOCLYGCPSA-N 0 0 477.362 4.984 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001448832478 1066960649 /nfs/dbraw/zinc/96/06/49/1066960649.db2.gz QHGCPRJLQPDQMN-CQSZACIVSA-N 0 0 457.246 4.729 20 0 JJADRN CC(C)(NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1ccccc1Br ZINC001458049460 1066961207 /nfs/dbraw/zinc/96/12/07/1066961207.db2.gz PSCVXJSKHGFAOW-UHFFFAOYSA-N 0 0 453.262 4.714 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001458048188 1066961271 /nfs/dbraw/zinc/96/12/71/1066961271.db2.gz FQTYJSLRMOGLJU-UHFFFAOYSA-N 0 0 450.130 4.984 20 0 JJADRN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458050394 1066961308 /nfs/dbraw/zinc/96/13/08/1066961308.db2.gz VDOCJLPCIDSTKQ-UHFFFAOYSA-N 0 0 459.247 4.822 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001458052887 1066961567 /nfs/dbraw/zinc/96/15/67/1066961567.db2.gz VELYSQBCOYWWRG-HRCADAONSA-N 0 0 456.530 4.704 20 0 JJADRN CCc1c(NC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)cnn1C(CC)CC ZINC001448838720 1066961607 /nfs/dbraw/zinc/96/16/07/1066961607.db2.gz PIAKWQQOIDZPLG-CJFMBICVSA-N 0 0 456.587 4.561 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001458052892 1066961674 /nfs/dbraw/zinc/96/16/74/1066961674.db2.gz VELYSQBCOYWWRG-XHSDSOJGSA-N 0 0 456.530 4.704 20 0 JJADRN CCc1c(NC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)cnn1C(CC)CC ZINC001448838725 1066961624 /nfs/dbraw/zinc/96/16/24/1066961624.db2.gz PIAKWQQOIDZPLG-CPJSRVTESA-N 0 0 456.587 4.561 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492949321 1066961723 /nfs/dbraw/zinc/96/17/23/1066961723.db2.gz SRLFUFCNGGJJOY-PVAVHDDUSA-N 0 0 482.050 4.525 20 0 JJADRN CSc1cc(Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)nc(SC)n1 ZINC001458054066 1066962082 /nfs/dbraw/zinc/96/20/82/1066962082.db2.gz ONBHOVQCEDVYOA-UHFFFAOYSA-N 0 0 451.570 4.677 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC001448840120 1066962085 /nfs/dbraw/zinc/96/20/85/1066962085.db2.gz HJIBPAVEPPWREG-NOZRDPDXSA-N 0 0 450.604 4.929 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC001458053589 1066962169 /nfs/dbraw/zinc/96/21/69/1066962169.db2.gz DFDSOSQWIFVMLF-RHSMWYFYSA-N 0 0 455.393 4.718 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC001458055294 1066962499 /nfs/dbraw/zinc/96/24/99/1066962499.db2.gz LLDNBNYJFLCGND-QZTJIDSGSA-N 0 0 455.551 4.789 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC001458055286 1066962521 /nfs/dbraw/zinc/96/25/21/1066962521.db2.gz LLDNBNYJFLCGND-MSOLQXFVSA-N 0 0 455.551 4.789 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001448843323 1066962600 /nfs/dbraw/zinc/96/26/00/1066962600.db2.gz LVHXVWJWKZKGGC-RDJZCZTQSA-N 0 0 455.521 4.823 20 0 JJADRN CC(C)(CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC001545695020 1066962774 /nfs/dbraw/zinc/96/27/74/1066962774.db2.gz BERODPRKPBZWRA-UHFFFAOYSA-N 0 0 458.530 4.750 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1Br ZINC001448843916 1066962878 /nfs/dbraw/zinc/96/28/78/1066962878.db2.gz MKXPNXHXVNPWFG-GDBMZVCRSA-N 0 0 455.393 4.754 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001448844412 1066963009 /nfs/dbraw/zinc/96/30/09/1066963009.db2.gz HDHIKWSOXBICOY-HXUWFJFHSA-N 0 0 458.986 4.835 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 ZINC001545696858 1066963156 /nfs/dbraw/zinc/96/31/56/1066963156.db2.gz WMONRHKLMFJTSA-OAQYLSRUSA-N 0 0 474.653 4.820 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001545696162 1066963183 /nfs/dbraw/zinc/96/31/83/1066963183.db2.gz LKEYZBGMFRMCCU-RTBURBONSA-N 0 0 464.614 4.777 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001458058363 1066963895 /nfs/dbraw/zinc/96/38/95/1066963895.db2.gz GKBDTXBQHVBRTE-MSOLQXFVSA-N 0 0 458.599 4.927 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545699149 1066963937 /nfs/dbraw/zinc/96/39/37/1066963937.db2.gz SEKJDVCIWJFOPD-GOEBONIOSA-N 0 0 484.592 4.710 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)CCCOc2ccccc2Br)C3)cc1 ZINC001448849687 1066964293 /nfs/dbraw/zinc/96/42/93/1066964293.db2.gz RTCXTQOKWIFLMG-UHFFFAOYSA-N 0 0 454.368 4.687 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C3)cc1 ZINC001448851767 1066964327 /nfs/dbraw/zinc/96/43/27/1066964327.db2.gz VLSUVAGWYUYRJW-UHFFFAOYSA-N 0 0 452.580 4.812 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448852415 1066964367 /nfs/dbraw/zinc/96/43/67/1066964367.db2.gz WJXDWYZRJLDCQM-APWZRJJASA-N 0 0 459.587 4.502 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C3)cc1 ZINC001448849714 1066964380 /nfs/dbraw/zinc/96/43/80/1066964380.db2.gz SIDITIANPQWOAZ-UHFFFAOYSA-N 0 0 454.368 4.929 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448852423 1066964393 /nfs/dbraw/zinc/96/43/93/1066964393.db2.gz WJXDWYZRJLDCQM-LPHOPBHVSA-N 0 0 459.587 4.502 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCN1C(=O)OC(C)(C)C ZINC001448850972 1066964413 /nfs/dbraw/zinc/96/44/13/1066964413.db2.gz XNAIQICNPNXRCL-AZUAARDMSA-N 0 0 452.599 4.794 20 0 JJADRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nn(-c2ccccc2F)cc1Br ZINC001458059633 1066964331 /nfs/dbraw/zinc/96/43/31/1066964331.db2.gz AYCGAPBMBRKAPP-KXBFYZLASA-N 0 0 458.331 4.672 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001458062299 1066964808 /nfs/dbraw/zinc/96/48/08/1066964808.db2.gz OUSYRLCPHNYXJA-MSOLQXFVSA-N 0 0 452.551 4.799 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC001545702396 1066965056 /nfs/dbraw/zinc/96/50/56/1066965056.db2.gz BFATUQXXIYJMMC-UHFFFAOYSA-N 0 0 456.359 4.978 20 0 JJADRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cnn(Cc2ccccc2)c1Br ZINC001458063220 1066965333 /nfs/dbraw/zinc/96/53/33/1066965333.db2.gz JCUPOXGXPVTYHE-NQIIRXRSSA-N 0 0 454.368 4.592 20 0 JJADRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cnn(Cc2ccccc2)c1Br ZINC001458063221 1066965467 /nfs/dbraw/zinc/96/54/67/1066965467.db2.gz JCUPOXGXPVTYHE-RXVVDRJESA-N 0 0 454.368 4.592 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCCc3ccc(F)cc3)c2c1C ZINC001458064429 1066965489 /nfs/dbraw/zinc/96/54/89/1066965489.db2.gz UDBQXCUZAOADIW-UHFFFAOYSA-N 0 0 456.587 4.956 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)nc1C(C)C ZINC001458067084 1066965647 /nfs/dbraw/zinc/96/56/47/1066965647.db2.gz KLRJXDQLQPEOBD-JKSUJKDBSA-N 0 0 457.596 4.948 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)c2cc(-c3ccc(F)cc3)on2)nc(N2CCCCC2)n1 ZINC001458066792 1066965729 /nfs/dbraw/zinc/96/57/29/1066965729.db2.gz COUAEIPCFVBKGK-UHFFFAOYSA-N 0 0 451.546 4.868 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001545704367 1066965926 /nfs/dbraw/zinc/96/59/26/1066965926.db2.gz XSWGLPOEWWKRPR-KNQAVFIVSA-N 0 0 451.640 4.885 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001545704354 1066965964 /nfs/dbraw/zinc/96/59/64/1066965964.db2.gz XMUVHJXSPRIREB-RBISFHTESA-N 0 0 479.669 4.703 20 0 JJADRN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001458068776 1066966075 /nfs/dbraw/zinc/96/60/75/1066966075.db2.gz YDSDNZCGZULELF-NSHDSACASA-N 0 0 452.700 4.869 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001545704333 1066966083 /nfs/dbraw/zinc/96/60/83/1066966083.db2.gz XEEIVEZICOOZHO-FPOVZHCZSA-N 0 0 495.697 4.533 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001458067631 1066966159 /nfs/dbraw/zinc/96/61/59/1066966159.db2.gz KUYSALWWIHSSPX-KSSFIOAISA-N 0 0 459.400 4.965 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1nc(C)ccc1Br ZINC001458067784 1066966175 /nfs/dbraw/zinc/96/61/75/1066966175.db2.gz HYSPANNUENDUHZ-UHFFFAOYSA-N 0 0 457.122 4.736 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 ZINC001546010240 1066966311 /nfs/dbraw/zinc/96/63/11/1066966311.db2.gz IPTWROLTPFSZQS-FQRUVTKNSA-N 0 0 481.666 4.859 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001545704386 1066966396 /nfs/dbraw/zinc/96/63/96/1066966396.db2.gz XWZNMGQAXGFWBG-SIKLNZKXSA-N 0 0 455.622 4.524 20 0 JJADRN CC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458069894 1066966399 /nfs/dbraw/zinc/96/63/99/1066966399.db2.gz BDFSUXRPEOFPOJ-DQEYMECFSA-N 0 0 453.546 4.637 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(Br)cc(C)c3C)c2)ccn1 ZINC001458069326 1066966564 /nfs/dbraw/zinc/96/65/64/1066966564.db2.gz IVNXUAICINAFQL-UHFFFAOYSA-N 0 0 455.308 4.832 20 0 JJADRN CS(C)(=O)=Nc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448884206 1066966888 /nfs/dbraw/zinc/96/68/88/1066966888.db2.gz DZSQLOZCRJVRMN-IBGZPJMESA-N 0 0 450.402 4.525 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)cc2)cc1 ZINC001458070809 1066967018 /nfs/dbraw/zinc/96/70/18/1066967018.db2.gz MAGSJAAFOLZANG-UHFFFAOYSA-N 0 0 459.951 4.517 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001545705819 1066967090 /nfs/dbraw/zinc/96/70/90/1066967090.db2.gz GQSZOZUXAWGGGR-SJORKVTESA-N 0 0 480.078 4.532 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC(C)(C)C1 ZINC001545705917 1066967115 /nfs/dbraw/zinc/96/71/15/1066967115.db2.gz IUEDFBSKTVKSRO-HXUWFJFHSA-N 0 0 487.714 4.926 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC001458072816 1066967307 /nfs/dbraw/zinc/96/73/07/1066967307.db2.gz YSHHWPJDRLLEGW-UHFFFAOYSA-N 0 0 450.970 4.843 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)n1 ZINC001448890906 1066967511 /nfs/dbraw/zinc/96/75/11/1066967511.db2.gz ULJXPVZFNSYKDO-HNNXBMFYSA-N 0 0 453.178 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)Cc1ccccc1 ZINC001448893702 1066967552 /nfs/dbraw/zinc/96/75/52/1066967552.db2.gz OCVWPTKWLZIHBL-OAHLLOKOSA-N 0 0 456.427 4.856 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001545706167 1066967554 /nfs/dbraw/zinc/96/75/54/1066967554.db2.gz NFIMAYWMUIAIBP-NRYAXDJKSA-N 0 0 492.495 4.778 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001545706012 1066967596 /nfs/dbraw/zinc/96/75/96/1066967596.db2.gz KJGYKWLQRKEYJX-RBUKOAKNSA-N 0 0 481.563 4.557 20 0 JJADRN CCCO[C@@H](C(=O)Oc1cccc(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(F)cc1C ZINC001458073630 1066967522 /nfs/dbraw/zinc/96/75/22/1066967522.db2.gz SNIQANXLGOTVRF-HSZRJFAPSA-N 0 0 452.482 4.754 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CNc2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC001458074311 1066967666 /nfs/dbraw/zinc/96/76/66/1066967666.db2.gz HPTWAKFYBWAERF-OAHLLOKOSA-N 0 0 458.653 4.767 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001458073220 1066967756 /nfs/dbraw/zinc/96/77/56/1066967756.db2.gz XTZZEASXKYAEAN-OAHLLOKOSA-N 0 0 457.397 4.593 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001545706322 1066967841 /nfs/dbraw/zinc/96/78/41/1066967841.db2.gz PDKIFAAEKZVKOU-NRFANRHFSA-N 0 0 485.698 4.581 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001545706333 1066967983 /nfs/dbraw/zinc/96/79/83/1066967983.db2.gz PMKJUGYLCBUBCD-KNQAVFIVSA-N 0 0 465.598 4.713 20 0 JJADRN CC(C)[C@H](OC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(F)c(F)c1 ZINC001458075047 1066968005 /nfs/dbraw/zinc/96/80/05/1066968005.db2.gz JHEUOUPRDOBUBD-ZHRRBRCNSA-N 0 0 451.897 4.786 20 0 JJADRN CCc1nn(C)c(CC)c1CNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc21 ZINC001458075223 1066968175 /nfs/dbraw/zinc/96/81/75/1066968175.db2.gz VIAAKTYJDZDQGF-UHFFFAOYSA-N 0 0 455.400 4.971 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001448901927 1066968529 /nfs/dbraw/zinc/96/85/29/1066968529.db2.gz DJQCAXZPRIALGO-YTQUADARSA-N 0 0 455.382 4.656 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001545706810 1066968675 /nfs/dbraw/zinc/96/86/75/1066968675.db2.gz YQVGVBAEABNZEM-WMQCIHAUSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)c(OC(C)(C)C)c1 ZINC001545707593 1066968682 /nfs/dbraw/zinc/96/86/82/1066968682.db2.gz RFFRUOGPNWWGDL-NRFANRHFSA-N 0 0 454.567 4.861 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001545706809 1066968751 /nfs/dbraw/zinc/96/87/51/1066968751.db2.gz YQVGVBAEABNZEM-IOMROCGXSA-N 0 0 492.089 4.676 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448905428 1066968780 /nfs/dbraw/zinc/96/87/80/1066968780.db2.gz OPJRFSIEBODNQG-MYDTUXCISA-N 0 0 452.599 4.708 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458078187 1066968838 /nfs/dbraw/zinc/96/88/38/1066968838.db2.gz SAFRETDHOXXMLO-PGRDOPGGSA-N 0 0 453.905 4.832 20 0 JJADRN Cc1ccc(-c2csc3nc(Sc4ncc(C(N)=O)cc4Cl)n(C)c(=O)c32)cc1C ZINC001458078703 1066968878 /nfs/dbraw/zinc/96/88/78/1066968878.db2.gz KIFGNRLDJVOEMR-UHFFFAOYSA-N 0 0 456.980 4.577 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1 ZINC001545708226 1066969115 /nfs/dbraw/zinc/96/91/15/1066969115.db2.gz FJGLGXPASRKLMB-KJXAQDMKSA-N 0 0 455.647 4.528 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C ZINC001448913332 1066969317 /nfs/dbraw/zinc/96/93/17/1066969317.db2.gz WXEKNNLYBBEIHJ-CYBMUJFWSA-N 0 0 454.493 4.779 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)CCCCC2)c(Br)c1 ZINC001448913497 1066969346 /nfs/dbraw/zinc/96/93/46/1066969346.db2.gz KSAWPFFBURJEPJ-GOSISDBHSA-N 0 0 450.417 4.756 20 0 JJADRN CCc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1S(C)(=O)=O ZINC001458079650 1066969323 /nfs/dbraw/zinc/96/93/23/1066969323.db2.gz FMTBWXSPPBRKSF-UHFFFAOYSA-N 0 0 459.608 4.645 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001545709199 1066969423 /nfs/dbraw/zinc/96/94/23/1066969423.db2.gz XNTSYQJZTXRXEI-SJORKVTESA-N 0 0 499.603 4.663 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001545709290 1066969480 /nfs/dbraw/zinc/96/94/80/1066969480.db2.gz ZCLJUHUXWXLDIL-IUHILOBXSA-N 0 0 459.679 4.661 20 0 JJADRN Fc1ccc(-c2nnc(Sc3ncc(Br)cc3F)n2C[C@@H]2CCCO2)cc1 ZINC001458081022 1066969639 /nfs/dbraw/zinc/96/96/39/1066969639.db2.gz YSXKOPBTWXDKQK-AWEZNQCLSA-N 0 0 453.312 4.711 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458080247 1066969735 /nfs/dbraw/zinc/96/97/35/1066969735.db2.gz YOUAWOVIIOWRKL-FSSWDIPSSA-N 0 0 453.384 4.563 20 0 JJADRN O=C(c1cc2ccc(Br)cc2s1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC001545710048 1066969770 /nfs/dbraw/zinc/96/97/70/1066969770.db2.gz QYJFZZWPBUZUEB-HUUCEWRRSA-N 0 0 452.395 4.690 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C2CCCCC2)cc1OC ZINC001458080336 1066969785 /nfs/dbraw/zinc/96/97/85/1066969785.db2.gz KXJSDAZIYFMVQQ-YUVVGHDESA-N 0 0 456.627 4.792 20 0 JJADRN COCCCNC(=O)CN(C)c1nc(-c2ccsc2)nc2scc(-c3ccccc3)c21 ZINC001458083495 1066969946 /nfs/dbraw/zinc/96/99/46/1066969946.db2.gz HLBBOCSPZHITST-UHFFFAOYSA-N 0 0 452.605 4.676 20 0 JJADRN COc1cc(C(=O)NC[C@H](CO)Cc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC001545711816 1066970057 /nfs/dbraw/zinc/97/00/57/1066970057.db2.gz BYVKQJDVDVPXND-GOSISDBHSA-N 0 0 457.929 4.648 20 0 JJADRN CC[C@H](C)Oc1cc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 ZINC001458083766 1066970210 /nfs/dbraw/zinc/97/02/10/1066970210.db2.gz IGWWYIYJMQHAAC-INIZCTEOSA-N 0 0 456.591 4.819 20 0 JJADRN CCc1nnc(N2CCC[C@@H]2c2ccc(COC)o2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001546510491 1066970096 /nfs/dbraw/zinc/97/00/96/1066970096.db2.gz GZYFZAVVOUZGOA-LJQANCHMSA-N 0 0 464.488 4.997 20 0 JJADRN CCc1c(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001448923613 1066970501 /nfs/dbraw/zinc/97/05/01/1066970501.db2.gz JWFPHJCMHWPLPN-UHFFFAOYSA-N 0 0 451.958 4.971 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)CC2=O)cc1 ZINC001545715960 1066970567 /nfs/dbraw/zinc/97/05/67/1066970567.db2.gz CEQWCRWIMJYHFQ-GJZUVCINSA-N 0 0 458.558 4.743 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)Cc1ccc(Br)c(F)c1 ZINC001458087046 1066970862 /nfs/dbraw/zinc/97/08/62/1066970862.db2.gz BYAHCFPHNDQECP-UHFFFAOYSA-N 0 0 455.125 4.902 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(-c3ccco3)cc2F)cc1 ZINC001448927813 1066970907 /nfs/dbraw/zinc/97/09/07/1066970907.db2.gz WTBZXNRQNGQANY-QHCPKHFHSA-N 0 0 451.542 4.924 20 0 JJADRN CN(C)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C(N)=O)c1 ZINC001458088795 1066970970 /nfs/dbraw/zinc/97/09/70/1066970970.db2.gz MJBGGAPLUYLSEE-UHFFFAOYSA-N 0 0 452.761 4.734 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnn([C@@H](C)CC)c3C)cc2)cc1 ZINC001448929707 1066970927 /nfs/dbraw/zinc/97/09/27/1066970927.db2.gz SKWHTGDHDKPKTB-INIZCTEOSA-N 0 0 456.568 4.614 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC001545716284 1066971040 /nfs/dbraw/zinc/97/10/40/1066971040.db2.gz MLIOMPQCQCEERP-XZOQPEGZSA-N 0 0 456.583 4.610 20 0 JJADRN O=C(c1cc(C2CC2)on1)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001448932000 1066971453 /nfs/dbraw/zinc/97/14/53/1066971453.db2.gz JGXXBXAHGICUPU-QGZVFWFLSA-N 0 0 451.386 4.731 20 0 JJADRN O=C(Oc1c(F)cccc1Cl)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001458089831 1066971478 /nfs/dbraw/zinc/97/14/78/1066971478.db2.gz VQAHCGPPAHSPNS-UHFFFAOYSA-N 0 0 451.928 4.507 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1Cl ZINC001448943696 1066972323 /nfs/dbraw/zinc/97/23/23/1066972323.db2.gz WHDMSFJYIAXUFZ-AWEZNQCLSA-N 0 0 452.654 4.773 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545719254 1066972587 /nfs/dbraw/zinc/97/25/87/1066972587.db2.gz CRHQHJFOTQLQNE-PMACEKPBSA-N 0 0 473.593 4.849 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccnc1OCC(F)F)c1ccccc1 ZINC001545719257 1066972680 /nfs/dbraw/zinc/97/26/80/1066972680.db2.gz CRHQHJFOTQLQNE-WOJBJXKFSA-N 0 0 473.593 4.849 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1)OC ZINC001546010650 1066972824 /nfs/dbraw/zinc/97/28/24/1066972824.db2.gz PBWVFNHABBSGQX-QFIPXVFZSA-N 0 0 479.625 4.650 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)c1ccccc1 ZINC001545719422 1066973003 /nfs/dbraw/zinc/97/30/03/1066973003.db2.gz GPHIDXURTRYMNU-FYYLOGMGSA-N 0 0 450.631 4.703 20 0 JJADRN CC(C)c1c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccc1 ZINC001448959606 1066973129 /nfs/dbraw/zinc/97/31/29/1066973129.db2.gz ARWKZPQJMAUASV-UZUQRXQVSA-N 0 0 454.933 4.946 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)CC1)Oc1cccc(F)c1 ZINC001546010740 1066973139 /nfs/dbraw/zinc/97/31/39/1066973139.db2.gz QWCBXMVOOJTFOI-UYAOXDASSA-N 0 0 485.629 4.893 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(C1)CCCCCC2)OC ZINC001546010782 1066973182 /nfs/dbraw/zinc/97/31/82/1066973182.db2.gz RQISUWSASVAXAR-QFIPXVFZSA-N 0 0 456.631 4.829 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCOCC(F)(F)C(F)F)c1 ZINC001448959318 1066973193 /nfs/dbraw/zinc/97/31/93/1066973193.db2.gz BQHPIEHUXWAZHM-UHFFFAOYSA-N 0 0 453.411 4.634 20 0 JJADRN C[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458093608 1066973102 /nfs/dbraw/zinc/97/31/02/1066973102.db2.gz KKAKCZNGKJRUQC-ZYSHUDEJSA-N 0 0 462.562 4.666 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001545719190 1066973168 /nfs/dbraw/zinc/97/31/68/1066973168.db2.gz CBCNLCYVRSTCQZ-IRMYBRCSSA-N 0 0 458.672 4.660 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(C1)CCCCCC2)OC ZINC001546010781 1066973237 /nfs/dbraw/zinc/97/32/37/1066973237.db2.gz RQISUWSASVAXAR-JOCHJYFZSA-N 0 0 456.631 4.829 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(-c4cccnc4)ccc3C)cc(C(C)C)nc21 ZINC001448963412 1066973573 /nfs/dbraw/zinc/97/35/73/1066973573.db2.gz DSASEAIIQYOKSX-UHFFFAOYSA-N 0 0 457.534 4.653 20 0 JJADRN C[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458095015 1066973683 /nfs/dbraw/zinc/97/36/83/1066973683.db2.gz NUDOOMITOPSJHW-DIEDAUMRSA-N 0 0 454.498 4.740 20 0 JJADRN Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001448965228 1066973912 /nfs/dbraw/zinc/97/39/12/1066973912.db2.gz GMFMGLWVCVDTHI-UHFFFAOYSA-N 0 0 454.939 4.719 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)C1(Cc2cccc(Cl)c2)CC1 ZINC001448967475 1066973939 /nfs/dbraw/zinc/97/39/39/1066973939.db2.gz IVANPQNWVFHQAN-UHFFFAOYSA-N 0 0 455.967 4.638 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545719886 1066974021 /nfs/dbraw/zinc/97/40/21/1066974021.db2.gz NSMYJDAQNGODPW-KXTRFFEISA-N 0 0 478.641 4.551 20 0 JJADRN C[C@H]1CN(C(=O)COc2ccc(F)cc2F)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458097169 1066974250 /nfs/dbraw/zinc/97/42/50/1066974250.db2.gz VLDWHQWXCRGCDG-AWEZNQCLSA-N 0 0 450.457 4.655 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 ZINC001448969583 1066974480 /nfs/dbraw/zinc/97/44/80/1066974480.db2.gz OLNPHGZCAHSGBG-FCHUYYIVSA-N 0 0 450.332 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CC(n2cnc3c2ncnc3NCCc2ccc(C(C)(C)C)cc2)C1 ZINC001458097573 1066974602 /nfs/dbraw/zinc/97/46/02/1066974602.db2.gz DQIZQQNJFYMEHR-UHFFFAOYSA-N 0 0 450.587 4.570 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545720397 1066974811 /nfs/dbraw/zinc/97/48/11/1066974811.db2.gz WHKOHCKGPICYRF-VLBKSENGSA-N 0 0 481.685 4.645 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(SC3CCCC3)cc2)s1 ZINC001458100086 1066974983 /nfs/dbraw/zinc/97/49/83/1066974983.db2.gz ZIGOAFKRPJHSDT-IBGZPJMESA-N 0 0 450.651 4.883 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)c2cc(Cl)ncc2Br)C(F)(F)F)cc1 ZINC001458100252 1066975072 /nfs/dbraw/zinc/97/50/72/1066975072.db2.gz AOSZJNXUUWJWNZ-CYBMUJFWSA-N 0 0 452.610 4.745 20 0 JJADRN CO[C@]1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 ZINC001448981217 1066975413 /nfs/dbraw/zinc/97/54/13/1066975413.db2.gz HAEMWYWMLZJJRT-JOCHJYFZSA-N 0 0 451.350 4.983 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001448982821 1066975444 /nfs/dbraw/zinc/97/54/44/1066975444.db2.gz UZCRVNFZEOWGQW-BEFAXECRSA-N 0 0 450.457 4.810 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cn(-c2cccc(Cl)c2)nn1 ZINC001458101775 1066975704 /nfs/dbraw/zinc/97/57/04/1066975704.db2.gz KYJFRHPSDMVNOS-UHFFFAOYSA-N 0 0 459.775 4.925 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458101978 1066975712 /nfs/dbraw/zinc/97/57/12/1066975712.db2.gz GDZBNRKMXBBOOP-HOYKHHGWSA-N 0 0 453.970 4.889 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)Cc2ccccc2OCc2ccncc2)C(F)(F)F)cc1 ZINC001458102042 1066975812 /nfs/dbraw/zinc/97/58/12/1066975812.db2.gz GRNGYWRQPAJLJU-QFIPXVFZSA-N 0 0 459.420 4.837 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@H](c2ccccc2)C(C)(C)CO)nnc1-c1ccccc1 ZINC001448991998 1066975860 /nfs/dbraw/zinc/97/58/60/1066975860.db2.gz AAXQNCORVJKDQD-PGRDOPGGSA-N 0 0 452.624 4.884 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545721673 1066976072 /nfs/dbraw/zinc/97/60/72/1066976072.db2.gz DVGJUNBTMQSIMZ-AZUAARDMSA-N 0 0 478.670 4.911 20 0 JJADRN CC(C)(CO)[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC001448993654 1066976214 /nfs/dbraw/zinc/97/62/14/1066976214.db2.gz CZMFSGITTOWDHR-GOSISDBHSA-N 0 0 455.190 4.630 20 0 JJADRN CC(C)(CO)[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC001448995327 1066976244 /nfs/dbraw/zinc/97/62/44/1066976244.db2.gz GEQCUNROTDSLSF-FQEVSTJZSA-N 0 0 450.539 4.625 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001458102898 1066976177 /nfs/dbraw/zinc/97/61/77/1066976177.db2.gz OFWFTNQNHAXJIT-HOCLYGCPSA-N 0 0 456.377 4.702 20 0 JJADRN CC(C)Cn1nc(C(=O)Nc2cc(Br)ccc2OC(C)C)c2ccccc2c1=O ZINC001458103399 1066976528 /nfs/dbraw/zinc/97/65/28/1066976528.db2.gz RIBZWTGVNMPVMU-UHFFFAOYSA-N 0 0 458.356 4.855 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545721762 1066976549 /nfs/dbraw/zinc/97/65/49/1066976549.db2.gz GNNZGVXXQPTZHT-KNQAVFIVSA-N 0 0 472.559 4.736 20 0 JJADRN C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458103020 1066976621 /nfs/dbraw/zinc/97/66/21/1066976621.db2.gz JXCWIVZFVYBSSY-SBUREZEXSA-N 0 0 455.580 4.562 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cccs2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545722005 1066976928 /nfs/dbraw/zinc/97/69/28/1066976928.db2.gz 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JJADRN COC(=O)c1ccc([C@H](OC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C(F)(F)F)cc1 ZINC001458106711 1066977451 /nfs/dbraw/zinc/97/74/51/1066977451.db2.gz RUWSOLCTBZSCLF-AVYPCKFXSA-N 0 0 451.441 4.547 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1F ZINC001449019959 1066977447 /nfs/dbraw/zinc/97/74/47/1066977447.db2.gz DWGXGBZUOFNYKW-INIZCTEOSA-N 0 0 453.341 4.889 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449022240 1066977762 /nfs/dbraw/zinc/97/77/62/1066977762.db2.gz GCLPAECRSCHRED-ARWYELJZSA-N 0 0 456.414 4.772 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC001458108100 1066977766 /nfs/dbraw/zinc/97/77/66/1066977766.db2.gz CKIVVEQFXMHZFX-CQSZACIVSA-N 0 0 457.436 4.664 20 0 JJADRN CN(C(=O)OC(C)(C)C)C1CC(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449024666 1066977835 /nfs/dbraw/zinc/97/78/35/1066977835.db2.gz JUKSFTCIAJGKPP-WIHSUSGWSA-N 0 0 456.414 4.724 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC001449022249 1066977840 /nfs/dbraw/zinc/97/78/40/1066977840.db2.gz GCLPAECRSCHRED-WIHSUSGWSA-N 0 0 456.414 4.772 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H]1CCOC[C@H]1OC)c1ccccc1 ZINC001545722473 1066978167 /nfs/dbraw/zinc/97/81/67/1066978167.db2.gz VGLBTEGMJAKJLD-MDNUFGMLSA-N 0 0 454.640 4.878 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C(C)C ZINC001458109839 1066978512 /nfs/dbraw/zinc/97/85/12/1066978512.db2.gz DRPJUALLGFVWLC-OYRHEFFESA-N 0 0 451.567 4.591 20 0 JJADRN O=C(c1sc(N2CCCC2)nc1Cl)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449040769 1066978537 /nfs/dbraw/zinc/97/85/37/1066978537.db2.gz FOCGSKGKPBBRTB-UHFFFAOYSA-N 0 0 459.921 4.539 20 0 JJADRN C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCS1 ZINC001545722961 1066978623 /nfs/dbraw/zinc/97/86/23/1066978623.db2.gz IDTPJWVFCQALJQ-IBGZPJMESA-N 0 0 458.527 4.522 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449040891 1066978669 /nfs/dbraw/zinc/97/86/69/1066978669.db2.gz HAEMVYOIMNCLNK-UHFFFAOYSA-N 0 0 451.976 4.576 20 0 JJADRN Cc1c(Br)cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c(=O)n1C ZINC001458110362 1066978670 /nfs/dbraw/zinc/97/86/70/1066978670.db2.gz KWVFQSVOKOMFFV-UHFFFAOYSA-N 0 0 455.805 4.507 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001449043215 1066979080 /nfs/dbraw/zinc/97/90/80/1066979080.db2.gz IKNDANNBPBMQON-GOSISDBHSA-N 0 0 459.377 4.607 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NC[C@@](C)(Cc3ccccc3)[C@H](C)O)c2)n1 ZINC001449042107 1066979103 /nfs/dbraw/zinc/97/91/03/1066979103.db2.gz KGTLEUZMEDAOOC-AVRWGWEMSA-N 0 0 452.986 4.850 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nccs2)n1CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC001545723599 1066979155 /nfs/dbraw/zinc/97/91/55/1066979155.db2.gz BUDDFFXJWMLQCW-NRFANRHFSA-N 0 0 466.655 4.704 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)c2cnn(Cc3ccccc3)c2Cl)C(F)(F)F)cc1 ZINC001458111153 1066979089 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FLTKZKYROSJWER-PMACEKPBSA-N 0 0 457.022 4.803 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@H]1CCCCO1)c1ccccc1 ZINC001545723760 1066979620 /nfs/dbraw/zinc/97/96/20/1066979620.db2.gz FLTKZKYROSJWER-WOJBJXKFSA-N 0 0 457.022 4.803 20 0 JJADRN O=C(c1cnc(CCC(F)(F)F)s1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449047904 1066979627 /nfs/dbraw/zinc/97/96/27/1066979627.db2.gz UYPMJPRSIQWQSP-UHFFFAOYSA-N 0 0 452.420 4.781 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC001449049582 1066979859 /nfs/dbraw/zinc/97/98/59/1066979859.db2.gz VSFMXBXZOUWNIS-NRFANRHFSA-N 0 0 458.986 4.724 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CCCC(F)(F)F)c2)cc1 ZINC001449052186 1066979944 /nfs/dbraw/zinc/97/99/44/1066979944.db2.gz QRPWKQDRMRJYNA-OAHLLOKOSA-N 0 0 458.502 4.655 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545724033 1066979940 /nfs/dbraw/zinc/97/99/40/1066979940.db2.gz KTLYWEMUZBHWSV-NEUULRRLSA-N 0 0 497.684 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC001449060469 1066980248 /nfs/dbraw/zinc/98/02/48/1066980248.db2.gz LTAIMFPZENLPGM-GOSISDBHSA-N 0 0 451.405 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001458115811 1066980380 /nfs/dbraw/zinc/98/03/80/1066980380.db2.gz CFQJIRDSUSMFOT-JTAQYXEDSA-N 0 0 450.583 4.822 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H]2CCCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545724118 1066980408 /nfs/dbraw/zinc/98/04/08/1066980408.db2.gz MCZWJPOPGZQPDH-SJORKVTESA-N 0 0 457.363 4.813 20 0 JJADRN O=C(CCSc1ccccc1Br)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449070419 1066980662 /nfs/dbraw/zinc/98/06/62/1066980662.db2.gz BFHZSUGSWQYIMF-JKSUJKDBSA-N 0 0 452.439 4.959 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545724386 1066980793 /nfs/dbraw/zinc/98/07/93/1066980793.db2.gz PSBAOFZPFAWAIC-URXFXBBRSA-N 0 0 494.709 4.947 20 0 JJADRN 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CC[C@@H](c1nnc(N(C)Cc2ccon2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545724668 1066981653 /nfs/dbraw/zinc/98/16/53/1066981653.db2.gz VHCHPXWSIFPZPZ-MRXNPFEDSA-N 0 0 462.501 4.968 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OCC(C)C)c(OC)c2)c(C)cc1Br ZINC001449085992 1066981645 /nfs/dbraw/zinc/98/16/45/1066981645.db2.gz OWLLGSZGCONLRG-UHFFFAOYSA-N 0 0 450.329 4.840 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1C ZINC001449080352 1066981673 /nfs/dbraw/zinc/98/16/73/1066981673.db2.gz JEHKYPUECFFKHK-KRWDZBQOSA-N 0 0 459.612 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2C1 ZINC001449084228 1066981697 /nfs/dbraw/zinc/98/16/97/1066981697.db2.gz ZQBORODPUYUZGE-LAUBAEHRSA-N 0 0 454.592 4.578 20 0 JJADRN CN(C)c1cc(C(F)(F)F)nc(N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC001458122793 1066982068 /nfs/dbraw/zinc/98/20/68/1066982068.db2.gz ZVTQAKTXJDSMPM-UHFFFAOYSA-N 0 0 450.484 4.940 20 0 JJADRN CC(C)(C)Oc1ccncc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001546011445 1066982044 /nfs/dbraw/zinc/98/20/44/1066982044.db2.gz HAVYHPITCBHPGW-SFHVURJKSA-N 0 0 453.461 4.835 20 0 JJADRN COC(=O)c1cnc(NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1C(F)(F)F ZINC001458123325 1066982348 /nfs/dbraw/zinc/98/23/48/1066982348.db2.gz OLYWZJABBAEUGZ-GFCCVEGCSA-N 0 0 458.278 4.588 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC001458123462 1066982370 /nfs/dbraw/zinc/98/23/70/1066982370.db2.gz UKPNNDCVRDLXSW-UHFFFAOYSA-N 0 0 459.440 4.717 20 0 JJADRN O=C(c1ccc(Br)cc1-n1cncn1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001458123281 1066982382 /nfs/dbraw/zinc/98/23/82/1066982382.db2.gz HLILFULOWLKROK-LJQANCHMSA-N 0 0 453.384 4.905 20 0 JJADRN NC(=O)c1cc(Oc2cccc(OC(=O)c3csc(-c4ccc(Cl)cc4)n3)c2)ccn1 ZINC001458124678 1066982746 /nfs/dbraw/zinc/98/27/46/1066982746.db2.gz XJQBHSYQVLHVDY-UHFFFAOYSA-N 0 0 451.891 4.969 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458125015 1066982772 /nfs/dbraw/zinc/98/27/72/1066982772.db2.gz VVBGGNHFDRCCPF-QWHCGFSZSA-N 0 0 458.527 4.835 20 0 JJADRN CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC001449107012 1066983072 /nfs/dbraw/zinc/98/30/72/1066983072.db2.gz NTQATKPVSZMHEU-HSZRJFAPSA-N 0 0 459.011 4.718 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)N[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)c2)n1 ZINC001449111370 1066983355 /nfs/dbraw/zinc/98/33/55/1066983355.db2.gz WYIQQJJIBFEIPI-QHCPKHFHSA-N 0 0 456.468 4.679 20 0 JJADRN CC(=O)CCc1ccc(OCCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC001458126221 1066983506 /nfs/dbraw/zinc/98/35/06/1066983506.db2.gz XQAIUPRMZCAPMU-KRWDZBQOSA-N 0 0 454.514 4.859 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(=O)NC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545726562 1066983481 /nfs/dbraw/zinc/98/34/81/1066983481.db2.gz SFMGONFDNMXPRJ-CEXWTWQISA-N 0 0 451.537 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cc4ccccc4c(=O)[nH]3)s2)CC1 ZINC001449119007 1066983687 /nfs/dbraw/zinc/98/36/87/1066983687.db2.gz NBWZOGDMICYMNG-UHFFFAOYSA-N 0 0 454.552 4.764 20 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CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545727925 1066984778 /nfs/dbraw/zinc/98/47/78/1066984778.db2.gz CATPVTPREJZADK-IEIRFRATSA-N 0 0 486.707 4.774 20 0 JJADRN COc1ccc(SCCCC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1 ZINC001458137773 1066985515 /nfs/dbraw/zinc/98/55/15/1066985515.db2.gz BIFQXKGHUQQJLX-SFHVURJKSA-N 0 0 459.612 4.820 20 0 JJADRN COc1ccc(-c2nc(Sc3nc(-c4cc(Cl)cc(Cl)c4)no3)n[nH]2)c(OC)c1 ZINC001458136570 1066985533 /nfs/dbraw/zinc/98/55/33/1066985533.db2.gz KREGCHZRXUSBLX-UHFFFAOYSA-N 0 0 450.307 4.997 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC001458136617 1066985673 /nfs/dbraw/zinc/98/56/73/1066985673.db2.gz UAXHJOOHTGHESO-FQEVSTJZSA-N 0 0 454.514 4.545 20 0 JJADRN CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CCN1CCOC[C@@H]1C)c1ccccc1 ZINC001545728555 1066986042 /nfs/dbraw/zinc/98/60/42/1066986042.db2.gz NKWBYEOUHRHWJG-DHLKQENFSA-N 0 0 453.675 4.946 20 0 JJADRN CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CCN1CCOC[C@H]1C)c1ccccc1 ZINC001545728557 1066986076 /nfs/dbraw/zinc/98/60/76/1066986076.db2.gz NKWBYEOUHRHWJG-RDGATRHJSA-N 0 0 453.675 4.946 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccsc3)n2C[C@H](C)Cc2ccc(OC)cc2)CCO1 ZINC001546097461 1066986314 /nfs/dbraw/zinc/98/63/14/1066986314.db2.gz KWLSSPLRNQACTG-CLOONOSVSA-N 0 0 454.640 4.823 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1(C)CCCC1)c1ccccc1 ZINC001545728756 1066986503 /nfs/dbraw/zinc/98/65/03/1066986503.db2.gz QUYFUAFJSPXMDV-OEMFJLHTSA-N 0 0 481.685 4.768 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1cc(F)c(Br)c(Cl)c1 ZINC001449163976 1066986609 /nfs/dbraw/zinc/98/66/09/1066986609.db2.gz FSYAOBNNNPGNJZ-UHFFFAOYSA-N 0 0 453.617 4.629 20 0 JJADRN CC[C@H](c1nnc(N(CC)C[C@@H]2CCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545728945 1066986752 /nfs/dbraw/zinc/98/67/52/1066986752.db2.gz UKFDQRAENDSBAZ-IRXDYDNUSA-N 0 0 457.363 4.813 20 0 JJADRN CC[C@H](c1nnc(N(CCNC(C)=O)Cc2ccsc2)n1CC(F)(F)F)c1ccccc1 ZINC001545729129 1066986857 /nfs/dbraw/zinc/98/68/57/1066986857.db2.gz XEHBYWAKODJLQJ-IBGZPJMESA-N 0 0 465.545 4.587 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1-c1cc(C)ccc1C ZINC001458142685 1066986919 /nfs/dbraw/zinc/98/69/19/1066986919.db2.gz NXHIBHYFKITCOF-UZUQRXQVSA-N 0 0 454.933 4.748 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CCC(=O)N1CCCCCC1)c1ccccc1 ZINC001545729168 1066987141 /nfs/dbraw/zinc/98/71/41/1066987141.db2.gz XSQLAUDKSFDJFA-DNQXCXABSA-N 0 0 467.658 4.618 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)Cn3c4ccccc4nc3SC(F)F)n2)cc1 ZINC001545729662 1066987229 /nfs/dbraw/zinc/98/72/29/1066987229.db2.gz IUFJSYTXRLWEQB-CYBMUJFWSA-N 0 0 457.506 4.841 20 0 JJADRN CCOC(=O)CCc1cc(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)nc(C)n1 ZINC001458144243 1066987136 /nfs/dbraw/zinc/98/71/36/1066987136.db2.gz KLKMECRLHKQUPS-UHFFFAOYSA-N 0 0 458.562 4.546 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001458143432 1066987268 /nfs/dbraw/zinc/98/72/68/1066987268.db2.gz LMODHUKCMXKCEW-LBPRGKRZSA-N 0 0 450.379 4.860 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@H]3CCCC[C@]3(C)NC(=O)OC(C)(C)C)n2)cc1 ZINC001545730421 1066987609 /nfs/dbraw/zinc/98/76/09/1066987609.db2.gz ZETAEIHZHIPACP-WEVXLUSXSA-N 0 0 456.587 4.950 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCCN(c3ccccc3Cl)CC2)c1C(F)F ZINC001449176402 1066987613 /nfs/dbraw/zinc/98/76/13/1066987613.db2.gz POEFEGWDKRJDCH-UHFFFAOYSA-N 0 0 450.839 4.865 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccnc(SC)c1)c1ccccc1 ZINC001545730484 1066987791 /nfs/dbraw/zinc/98/77/91/1066987791.db2.gz AQAALLDGARWVFD-NQIIRXRSSA-N 0 0 451.640 4.989 20 0 JJADRN CCOc1ccccc1[C@@H](CC)Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1 ZINC001458146395 1066987928 /nfs/dbraw/zinc/98/79/28/1066987928.db2.gz NVDSROBEDAPWKO-GOSISDBHSA-N 0 0 452.559 4.580 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545730482 1066987948 /nfs/dbraw/zinc/98/79/48/1066987948.db2.gz APQQUSNTZBCESE-VWPQPMDRSA-N 0 0 471.646 4.691 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001449177503 1066988053 /nfs/dbraw/zinc/98/80/53/1066988053.db2.gz QBGBTACGMKXQAV-OALUTQOASA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2n1 ZINC001458147462 1066987975 /nfs/dbraw/zinc/98/79/75/1066987975.db2.gz NAGJTXBBTFCWJE-UHFFFAOYSA-N 0 0 454.334 4.513 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccc1O ZINC001449181626 1066988533 /nfs/dbraw/zinc/98/85/33/1066988533.db2.gz VZMXLRDVNVIMID-FQEVSTJZSA-N 0 0 454.567 4.881 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545730925 1066988698 /nfs/dbraw/zinc/98/86/98/1066988698.db2.gz HYVOEIIGUBVTBN-GWJPWWOOSA-N 0 0 466.548 4.793 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCOC)c1ccccc1 ZINC001545730794 1066988868 /nfs/dbraw/zinc/98/88/68/1066988868.db2.gz GDKBBGLCXDCARD-NNWRFLSQSA-N 0 0 471.646 4.596 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)Nc3ccc(OCCCO)cc3)cc21 ZINC001449203398 1066988854 /nfs/dbraw/zinc/98/88/54/1066988854.db2.gz HCPPQFHHUJCRGB-FQEVSTJZSA-N 0 0 454.567 4.645 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)c3c(Cl)cccc3Cl)cc2)C1 ZINC001458152127 1066989095 /nfs/dbraw/zinc/98/90/95/1066989095.db2.gz YHPLRORFVUKXLC-HUUCEWRRSA-N 0 0 455.407 4.937 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCc1cccnc1)c1ccccc1 ZINC001545730944 1066989225 /nfs/dbraw/zinc/98/92/25/1066989225.db2.gz ICKOZBQCOZKKHX-ZTCOLXNVSA-N 0 0 490.652 4.807 20 0 JJADRN C[C@@H](C(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)[C@H]1OCCc2sccc21 ZINC001449206683 1066989171 /nfs/dbraw/zinc/98/91/71/1066989171.db2.gz BSXBELFJWNQARZ-DYESRHJHSA-N 0 0 450.645 4.932 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001546012056 1066989184 /nfs/dbraw/zinc/98/91/84/1066989184.db2.gz BCJHCKIIUGYOFF-KNKQGSTJSA-N 0 0 487.645 4.794 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCc3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 ZINC001546097550 1066989577 /nfs/dbraw/zinc/98/95/77/1066989577.db2.gz MEXCIZCJEWZQJB-XMMPIXPASA-N 0 0 473.543 4.725 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)c1cc(Br)cnc1F ZINC001449211748 1066989628 /nfs/dbraw/zinc/98/96/28/1066989628.db2.gz OYSLVFPNMDYWPH-UHFFFAOYSA-N 0 0 458.372 4.530 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545731065 1066989729 /nfs/dbraw/zinc/98/97/29/1066989729.db2.gz JLHZLZSEZNBFCX-CEWLAPEOSA-N 0 0 479.591 4.565 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1 ZINC001449214713 1066989953 /nfs/dbraw/zinc/98/99/53/1066989953.db2.gz HRZVLZWLEVMRCJ-KRWDZBQOSA-N 0 0 450.501 4.704 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154565 1066990055 /nfs/dbraw/zinc/99/00/55/1066990055.db2.gz OBFBFBCMAMOHJK-KSFYIVLOSA-N 0 0 454.521 4.696 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545731168 1066990188 /nfs/dbraw/zinc/99/01/88/1066990188.db2.gz KXVWEJGJFZFAJU-WIYYLYMNSA-N 0 0 470.017 4.951 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCOC[C@@H]1CCCO1)c1ccccc1 ZINC001545731196 1066990244 /nfs/dbraw/zinc/99/02/44/1066990244.db2.gz LGYGYPUGQSLNJH-XZOQPEGZSA-N 0 0 470.658 4.800 20 0 JJADRN C[S@](=O)Cc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC001449220253 1066990455 /nfs/dbraw/zinc/99/04/55/1066990455.db2.gz XOBCOAYKDMODKY-HKBQPEDESA-N 0 0 450.585 4.929 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545731280 1066990639 /nfs/dbraw/zinc/99/06/39/1066990639.db2.gz MHXKHAMGGWFJIF-VWPQPMDRSA-N 0 0 471.646 4.691 20 0 JJADRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001458155749 1066990817 /nfs/dbraw/zinc/99/08/17/1066990817.db2.gz RTERTAPVTUGZHP-INIZCTEOSA-N 0 0 454.571 4.694 20 0 JJADRN Nc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001449226732 1066990980 /nfs/dbraw/zinc/99/09/80/1066990980.db2.gz IXGVGGIACQYNSZ-UHFFFAOYSA-N 0 0 451.798 4.922 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545731441 1066991121 /nfs/dbraw/zinc/99/11/21/1066991121.db2.gz OLJKDFNJHLWGQM-HCYUJWNOSA-N 0 0 454.640 4.793 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC[C@H]1C)NC(=O)OC(C)(C)C ZINC001546012288 1066991901 /nfs/dbraw/zinc/99/19/01/1066991901.db2.gz FYRZABUILWLGMN-WOJBJXKFSA-N 0 0 489.686 4.719 20 0 JJADRN CCCOc1ccc(C(=O)NC(C)(C)COc2ncccc2Br)cc1OCC ZINC001458158742 1066992098 /nfs/dbraw/zinc/99/20/98/1066992098.db2.gz QYUVPHFBSFQRNU-UHFFFAOYSA-N 0 0 451.361 4.619 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158322 1066992153 /nfs/dbraw/zinc/99/21/53/1066992153.db2.gz ZZGWEWSGRHZJNE-VGOFRKELSA-N 0 0 452.624 4.717 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c(OC2CCCC2)c1 ZINC001449240961 1066992202 /nfs/dbraw/zinc/99/22/02/1066992202.db2.gz YZLPKWWCHZKARU-UHFFFAOYSA-N 0 0 454.498 4.842 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(-n2cc(Br)cn2)cc1 ZINC001458159456 1066992580 /nfs/dbraw/zinc/99/25/80/1066992580.db2.gz RRSRHPFXWFUASF-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2Br)c(Cl)cc1Cl ZINC001458159589 1066992798 /nfs/dbraw/zinc/99/27/98/1066992798.db2.gz VHSQUAYUWOJHQP-UHFFFAOYSA-N 0 0 459.095 4.690 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001449243402 1066992668 /nfs/dbraw/zinc/99/26/68/1066992668.db2.gz QZIDVZPUFQAQGO-CQSZACIVSA-N 0 0 452.563 4.845 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)nn1-c1cccc(F)c1 ZINC001449247639 1066992770 /nfs/dbraw/zinc/99/27/70/1066992770.db2.gz XELSPLMIRMOIHM-GOSISDBHSA-N 0 0 451.329 4.690 20 0 JJADRN CCN(C(=O)[C@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC001449260471 1066992986 /nfs/dbraw/zinc/99/29/86/1066992986.db2.gz BCQFCYRCVWDSIY-VWLOTQADSA-N 0 0 450.579 4.721 20 0 JJADRN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(NCc3cnc(N(C)C)n3C)c2c1C ZINC001458161062 1066993082 /nfs/dbraw/zinc/99/30/82/1066993082.db2.gz BXNYIXCMVWFSMQ-UHFFFAOYSA-N 0 0 458.538 4.988 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@H]2c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001449264189 1066993507 /nfs/dbraw/zinc/99/35/07/1066993507.db2.gz MHBFBUCDDSOGKC-JXFKEZNVSA-N 0 0 456.999 4.872 20 0 JJADRN CCc1ccc([C@H](O)CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 ZINC001449266508 1066994096 /nfs/dbraw/zinc/99/40/96/1066994096.db2.gz QWJXEWMOIZTGIX-DHIUTWEWSA-N 0 0 454.364 4.981 20 0 JJADRN Cc1ccc(Br)c(C(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC001458167926 1066994251 /nfs/dbraw/zinc/99/42/51/1066994251.db2.gz GWTBKERXEJAKBI-HZMBPMFUSA-N 0 0 458.234 4.681 20 0 JJADRN C/C(=C\C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1cnccn1 ZINC001458167859 1066994368 /nfs/dbraw/zinc/99/43/68/1066994368.db2.gz QISVSZCLBVVNQJ-XBXARRHUSA-N 0 0 459.247 4.789 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCSC(C)(C)C)cc1OC ZINC001458170923 1066995148 /nfs/dbraw/zinc/99/51/48/1066995148.db2.gz YNMCAVQQJLHTRA-UHFFFAOYSA-N 0 0 453.608 4.877 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1ncc(-c2cccnc2)s1 ZINC001449282403 1066995330 /nfs/dbraw/zinc/99/53/30/1066995330.db2.gz NIDBGSYICGEIAU-UHFFFAOYSA-N 0 0 457.676 4.902 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 ZINC001458172228 1066995513 /nfs/dbraw/zinc/99/55/13/1066995513.db2.gz NIMJRTBANOHCBM-UHFFFAOYSA-N 0 0 450.436 4.575 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545733654 1066995538 /nfs/dbraw/zinc/99/55/38/1066995538.db2.gz FUJJPEYXWRARHL-OMRWSRCMSA-N 0 0 495.712 4.846 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545733601 1066995712 /nfs/dbraw/zinc/99/57/12/1066995712.db2.gz DZKPTVHTFVFHMK-IAGOWNOFSA-N 0 0 491.480 4.667 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnc1N1C(=O)O[C@H](C(F)(F)F)[C@@H]1C ZINC001458172334 1066995851 /nfs/dbraw/zinc/99/58/51/1066995851.db2.gz PJVBJWNSGMBKED-PJODQICGSA-N 0 0 457.836 4.807 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CCCc2cc(Cl)cc(Cl)c21 ZINC001458173160 1066995932 /nfs/dbraw/zinc/99/59/32/1066995932.db2.gz LVBSQBMJUUZJCK-UHFFFAOYSA-N 0 0 459.782 4.634 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H](C)Cc1cccs1)c1ccccc1 ZINC001545733838 1066995946 /nfs/dbraw/zinc/99/59/46/1066995946.db2.gz JAOPBZTVAQINKM-RCZSKKKRSA-N 0 0 452.624 4.760 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCc1cccnc1)c1ccccc1 ZINC001545733721 1066996058 /nfs/dbraw/zinc/99/60/58/1066996058.db2.gz GQBKRLDSSZMOJL-OAQYLSRUSA-N 0 0 471.527 4.806 20 0 JJADRN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173426 1066996322 /nfs/dbraw/zinc/99/63/22/1066996322.db2.gz OZZYGBANLRBXRX-ZEQKJWHPSA-N 0 0 450.623 4.532 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC001458173686 1066996456 /nfs/dbraw/zinc/99/64/56/1066996456.db2.gz JZDRWVPRHSCNOV-IQUTYRLHSA-N 0 0 451.445 4.574 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c1C ZINC001449302801 1066996566 /nfs/dbraw/zinc/99/65/66/1066996566.db2.gz RWSMUKMARKOZOP-QZTJIDSGSA-N 0 0 450.366 4.642 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC001458175195 1066996699 /nfs/dbraw/zinc/99/66/99/1066996699.db2.gz LWFSDNGYDZYIHS-KRWDZBQOSA-N 0 0 454.893 4.831 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)Oc2cccc(F)c2I)co1 ZINC001458174548 1066996721 /nfs/dbraw/zinc/99/67/21/1066996721.db2.gz JBKDNXVWDVXEPG-FPLPWBNLSA-N 0 0 458.223 4.597 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H](CC)c3cccc(C(F)(F)F)c3)CC2)c1C ZINC001449306741 1066997158 /nfs/dbraw/zinc/99/71/58/1066997158.db2.gz ZWDBTMWUPWCJQR-IBGZPJMESA-N 0 0 451.489 4.744 20 0 JJADRN 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CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC001449398026 1067006333 /nfs/dbraw/zinc/00/63/33/1067006333.db2.gz AQJXHIMMLMQMAZ-UHFFFAOYSA-N 0 0 450.551 4.794 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H]1CCCO[C@H]1C(C)C)c1ccccc1 ZINC001545740913 1067006503 /nfs/dbraw/zinc/00/65/03/1067006503.db2.gz GLDRKLJMZWZSLY-ARMFNRFLSA-N 0 0 481.685 4.718 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001449402019 1067006579 /nfs/dbraw/zinc/00/65/79/1067006579.db2.gz HLLXYVWGNCOHLB-UHFFFAOYSA-N 0 0 450.023 4.724 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001449402960 1067006601 /nfs/dbraw/zinc/00/66/01/1067006601.db2.gz JARVKLGDAUBIJA-LJQANCHMSA-N 0 0 459.871 4.793 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC001449404208 1067006961 /nfs/dbraw/zinc/00/69/61/1067006961.db2.gz LIOFNDFNTBFHNW-LJQANCHMSA-N 0 0 452.908 4.891 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001449403043 1067007066 /nfs/dbraw/zinc/00/70/66/1067007066.db2.gz KAQDIOMNCPLTRL-XLIONFOSSA-N 0 0 450.023 4.627 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 ZINC001458224255 1067007240 /nfs/dbraw/zinc/00/72/40/1067007240.db2.gz SEODXJSAWLABMO-NRFANRHFSA-N 0 0 451.571 4.780 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001458226628 1067007446 /nfs/dbraw/zinc/00/74/46/1067007446.db2.gz BLHAJXYDXKFXDT-KRWDZBQOSA-N 0 0 454.939 4.616 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC1CCCC1)c1ccccc1 ZINC001545741304 1067007511 /nfs/dbraw/zinc/00/75/11/1067007511.db2.gz NXXXZMJKRXOIJA-XMMPIXPASA-N 0 0 487.714 4.651 20 0 JJADRN COC(=O)CC1(CNC(=O)c2oc3ccccc3c2CSc2cccs2)CCOCC1 ZINC001449406969 1067007838 /nfs/dbraw/zinc/00/78/38/1067007838.db2.gz FCCQVNAKMPGYDA-UHFFFAOYSA-N 0 0 459.589 4.876 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545741562 1067008025 /nfs/dbraw/zinc/00/80/25/1067008025.db2.gz SMSPNRXAKDXKBL-KZKAQZJJSA-N 0 0 485.673 4.985 20 0 JJADRN COC(=O)CC1(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CCOCC1 ZINC001449410193 1067008215 /nfs/dbraw/zinc/00/82/15/1067008215.db2.gz LEQDJFAJHKVCOS-UHFFFAOYSA-N 0 0 452.938 4.645 20 0 JJADRN O=C(NCc1cnc(Br)cn1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC001449412758 1067008506 /nfs/dbraw/zinc/00/85/06/1067008506.db2.gz JZHUODBFPWCMBQ-UHFFFAOYSA-N 0 0 451.349 4.960 20 0 JJADRN Cc1cc(C)nc(N2CCN(C(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)n1 ZINC001458231843 1067008603 /nfs/dbraw/zinc/00/86/03/1067008603.db2.gz GSJHNAKSWIWQAW-JOCHJYFZSA-N 0 0 454.546 4.554 20 0 JJADRN FC(F)(F)Oc1cccc(CC2CN(c3ncnc(C(F)(F)F)c3Br)C2)c1 ZINC001458235586 1067009384 /nfs/dbraw/zinc/00/93/84/1067009384.db2.gz AFBDASYROHQYNA-UHFFFAOYSA-N 0 0 456.184 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)C1 ZINC001449420371 1067009337 /nfs/dbraw/zinc/00/93/37/1067009337.db2.gz GZWOCHQTLGKAGI-GFCCVEGCSA-N 0 0 459.395 4.964 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC001545743054 1067009386 /nfs/dbraw/zinc/00/93/86/1067009386.db2.gz CTZQGHWSKRPXLY-QPPBQGQZSA-N 0 0 479.591 4.711 20 0 JJADRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001458237101 1067009634 /nfs/dbraw/zinc/00/96/34/1067009634.db2.gz YXWLFZZMRZANCP-JTQLQIEISA-N 0 0 459.674 4.696 20 0 JJADRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001458237103 1067009657 /nfs/dbraw/zinc/00/96/57/1067009657.db2.gz YXWLFZZMRZANCP-SNVBAGLBSA-N 0 0 459.674 4.696 20 0 JJADRN Cc1ccc(C(=O)Nc2nc(Cc3ccccc3)cs2)cc1S(=O)(=O)NC1CCCC1 ZINC001458236894 1067009690 /nfs/dbraw/zinc/00/96/90/1067009690.db2.gz WGVKEMHLPVPMGZ-UHFFFAOYSA-N 0 0 455.605 4.516 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1(CC)CCCC1)c1ccccc1 ZINC001545743412 1067010030 /nfs/dbraw/zinc/01/00/30/1067010030.db2.gz KDCCVOOWYOZKJF-JOCHJYFZSA-N 0 0 458.672 4.804 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545743647 1067010075 /nfs/dbraw/zinc/01/00/75/1067010075.db2.gz OLLQRRGAVKKNCJ-WXVAWEFUSA-N 0 0 483.657 4.742 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cc(C)nn1C)c1ccccc1 ZINC001545743694 1067010161 /nfs/dbraw/zinc/01/01/61/1067010161.db2.gz PJOFUTPDJKYXKO-HSZRJFAPSA-N 0 0 450.631 4.694 20 0 JJADRN Cc1cccnc1CCCNC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449455841 1067010168 /nfs/dbraw/zinc/01/01/68/1067010168.db2.gz PQNNKTJEEWFFNZ-HXUWFJFHSA-N 0 0 457.574 4.614 20 0 JJADRN O=C(NC[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452227 1067010239 /nfs/dbraw/zinc/01/02/39/1067010239.db2.gz IGPNQJKXWKOXSU-KNQAVFIVSA-N 0 0 450.514 4.865 20 0 JJADRN CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC1CC(F)(F)C1)c1ccccc1 ZINC001545743856 1067010798 /nfs/dbraw/zinc/01/07/98/1067010798.db2.gz RXRRKBGGNZHWMR-KRWDZBQOSA-N 0 0 458.475 4.759 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001545743852 1067010809 /nfs/dbraw/zinc/01/08/09/1067010809.db2.gz RXRKPLUYHSGSEZ-QFZRFWILSA-N 0 0 476.669 4.905 20 0 JJADRN CC[C@@H](Cn1c(N2CC[C@H](Cc3ccccc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014589 1067010813 /nfs/dbraw/zinc/01/08/13/1067010813.db2.gz LGFPTNNWEFGXIR-RTWAWAEBSA-N 0 0 455.647 4.948 20 0 JJADRN Cc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)ccc1N1CCOCC1 ZINC001458244197 1067010936 /nfs/dbraw/zinc/01/09/36/1067010936.db2.gz MGWQAXUCKLWBJL-UHFFFAOYSA-N 0 0 455.352 4.765 20 0 JJADRN CC[C@H](c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001545744121 1067011099 /nfs/dbraw/zinc/01/10/99/1067011099.db2.gz WTOCGDCNYBQJTD-SFHVURJKSA-N 0 0 499.528 4.904 20 0 JJADRN C[C@H](Cc1cccc(O)c1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001449478343 1067011167 /nfs/dbraw/zinc/01/11/67/1067011167.db2.gz ZOBPLHVWJAGVTP-GFCCVEGCSA-N 0 0 457.374 4.977 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OCCC(C)C)CC2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545744158 1067011299 /nfs/dbraw/zinc/01/12/99/1067011299.db2.gz XGVWZZCRKGPLEY-AREMUKBSSA-N 0 0 491.680 4.907 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)Cc2c(C)cccc21 ZINC001458246635 1067011435 /nfs/dbraw/zinc/01/14/35/1067011435.db2.gz YBBRAKZJTZRNGU-UHFFFAOYSA-N 0 0 452.599 4.545 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001458246504 1067011444 /nfs/dbraw/zinc/01/14/44/1067011444.db2.gz WSDORZBZNLTSAY-SFHVURJKSA-N 0 0 456.970 4.983 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001458246113 1067011522 /nfs/dbraw/zinc/01/15/22/1067011522.db2.gz MICKOOVNGHENIH-RISCZKNCSA-N 0 0 455.274 4.641 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC001458246633 1067011594 /nfs/dbraw/zinc/01/15/94/1067011594.db2.gz XYPQWKHSDXBGFC-UHFFFAOYSA-N 0 0 456.970 4.910 20 0 JJADRN Cc1ccc2nc(COc3ccc(C(=O)Nc4cc(O)cc(Br)c4)cc3)cn2c1 ZINC001449491649 1067011912 /nfs/dbraw/zinc/01/19/12/1067011912.db2.gz APYICVKRCIKNGG-UHFFFAOYSA-N 0 0 452.308 4.942 20 0 JJADRN CC[C@H](Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546014945 1067012361 /nfs/dbraw/zinc/01/23/61/1067012361.db2.gz QOVUKVHOHGEPOU-RBUKOAKNSA-N 0 0 471.646 4.881 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)F)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545745643 1067012461 /nfs/dbraw/zinc/01/24/61/1067012461.db2.gz DSIMOEHYNZMDNA-LEWJYISDSA-N 0 0 462.585 4.745 20 0 JJADRN COc1cccc2c1CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC001458252325 1067012434 /nfs/dbraw/zinc/01/24/34/1067012434.db2.gz HEAXSEPIPFFCMB-MBSDFSHPSA-N 0 0 458.961 4.761 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001449522109 1067012556 /nfs/dbraw/zinc/01/25/56/1067012556.db2.gz JQMKJPHUANJERF-FQEVSTJZSA-N 0 0 455.603 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccc(O)c3ncccc23)[C@@H](c2ccc(Cl)cc2)C1 ZINC001449516338 1067012720 /nfs/dbraw/zinc/01/27/20/1067012720.db2.gz VVJYONYRJVJGKQ-RTWAWAEBSA-N 0 0 481.980 4.861 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545746101 1067012735 /nfs/dbraw/zinc/01/27/35/1067012735.db2.gz KCCHRKQMKFKJRJ-VQTJNVASSA-N 0 0 486.604 4.814 20 0 JJADRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC001458252929 1067012870 /nfs/dbraw/zinc/01/28/70/1067012870.db2.gz MRPBYJPRXOEBKU-NRFANRHFSA-N 0 0 459.631 4.618 20 0 JJADRN CC[C@@H](Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 ZINC001546015101 1067013117 /nfs/dbraw/zinc/01/31/17/1067013117.db2.gz UNMMHORWBDAVGZ-GBXCKJPGSA-N 0 0 462.585 4.994 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC1CCCCC1)c1ccccc1 ZINC001545745907 1067013065 /nfs/dbraw/zinc/01/30/65/1067013065.db2.gz ICAVFKUGGVGOEF-UPVQGACJSA-N 0 0 487.714 4.508 20 0 JJADRN CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546015213 1067013261 /nfs/dbraw/zinc/01/32/61/1067013261.db2.gz WCGGRSLGDNUMBN-PMACEKPBSA-N 0 0 487.645 4.651 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](OC)C1CC1)c1ccccc1 ZINC001545745954 1067013603 /nfs/dbraw/zinc/01/36/03/1067013603.db2.gz INUZSZKNUHTRSH-ZTCOLXNVSA-N 0 0 497.684 4.986 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458255044 1067013700 /nfs/dbraw/zinc/01/37/00/1067013700.db2.gz ILCVFYZCBGVMQD-NYDSKATKSA-N 0 0 458.961 4.991 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545746264 1067013758 /nfs/dbraw/zinc/01/37/58/1067013758.db2.gz MDMZVNWVRFVSAR-REWPJTCUSA-N 0 0 467.580 4.710 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1c[nH]c2ccccc12)OC ZINC001546015228 1067013794 /nfs/dbraw/zinc/01/37/94/1067013794.db2.gz WKFIZHSOBZZNPL-TYPHKJRUSA-N 0 0 496.656 4.982 20 0 JJADRN C[C@H](OC(=O)c1c(I)cnn1C)c1ccc(SC(F)(F)F)cc1 ZINC001458256227 1067013846 /nfs/dbraw/zinc/01/38/46/1067013846.db2.gz VQSTZPJAMLWGNT-QMMMGPOBSA-N 0 0 456.227 4.555 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(Br)c(Cl)c1F ZINC001449537123 1067014043 /nfs/dbraw/zinc/01/40/43/1067014043.db2.gz ACTYYNDVYWQMBI-GFCCVEGCSA-N 0 0 456.617 4.604 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC001449538661 1067014071 /nfs/dbraw/zinc/01/40/71/1067014071.db2.gz FVJCEXRVURKFJX-SFHVURJKSA-N 0 0 458.864 4.687 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1CCCNC(C)=O)c1ccccc1 ZINC001545746570 1067014693 /nfs/dbraw/zinc/01/46/93/1067014693.db2.gz RBCIORVZSFCZBP-GOTSBHOMSA-N 0 0 480.682 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545746552 1067014723 /nfs/dbraw/zinc/01/47/23/1067014723.db2.gz QSZNHRZOIWBILN-RVFVQDDPSA-N 0 0 481.685 4.624 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746616 1067014909 /nfs/dbraw/zinc/01/49/09/1067014909.db2.gz RTCMAMXVQTVABK-UNMCSNQZSA-N 0 0 466.630 4.786 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746613 1067014927 /nfs/dbraw/zinc/01/49/27/1067014927.db2.gz RTCMAMXVQTVABK-IFMALSPDSA-N 0 0 466.630 4.786 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746615 1067015079 /nfs/dbraw/zinc/01/50/79/1067015079.db2.gz RTCMAMXVQTVABK-RBBKRZOGSA-N 0 0 466.630 4.786 20 0 JJADRN CSc1ncc(I)c(Nc2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC001458259435 1067015071 /nfs/dbraw/zinc/01/50/71/1067015071.db2.gz BFLKSAUVQKKLFU-UHFFFAOYSA-N 0 0 451.337 4.658 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001449572445 1067015300 /nfs/dbraw/zinc/01/53/00/1067015300.db2.gz SJYAPUABYSENPN-XUVXKRRUSA-N 0 0 475.383 4.696 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[C@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545746622 1067015296 /nfs/dbraw/zinc/01/52/96/1067015296.db2.gz RXWDFNSHFAXCIE-NJDAHSKKSA-N 0 0 497.581 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[C@@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545746623 1067015337 /nfs/dbraw/zinc/01/53/37/1067015337.db2.gz RXWDFNSHFAXCIE-NJYVYQBISA-N 0 0 497.581 4.658 20 0 JJADRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCN(c2ccccc2F)C1 ZINC001458263199 1067015655 /nfs/dbraw/zinc/01/56/55/1067015655.db2.gz YRFSOLVTHQFKKI-QGZVFWFLSA-N 0 0 450.385 4.740 20 0 JJADRN COC(=O)c1sc2nc(C)nc(NCCCc3cc4c(cc(OC)cc4OC)[nH]3)c2c1C ZINC001458262483 1067015679 /nfs/dbraw/zinc/01/56/79/1067015679.db2.gz BZZXLYQJXFBDKP-UHFFFAOYSA-N 0 0 454.552 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(O)c2)CC1 ZINC001449577817 1067015714 /nfs/dbraw/zinc/01/57/14/1067015714.db2.gz FZOJJYNVJCKSMB-SFHVURJKSA-N 0 0 456.505 4.909 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1)Oc1ccccc1F ZINC001546015089 1067015982 /nfs/dbraw/zinc/01/59/82/1067015982.db2.gz UGIVDGJCOGZZCK-HSALFYBXSA-N 0 0 487.620 4.892 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545746965 1067016140 /nfs/dbraw/zinc/01/61/40/1067016140.db2.gz XRUNSIQGWKQKHU-LEWJYISDSA-N 0 0 477.575 4.905 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC001449590054 1067016461 /nfs/dbraw/zinc/01/64/61/1067016461.db2.gz FQTPQCIIOWSVIZ-UHFFFAOYSA-N 0 0 457.415 4.822 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CCCOC(C)C)c1ccccc1 ZINC001545747030 1067016513 /nfs/dbraw/zinc/01/65/13/1067016513.db2.gz YPTIIQKPTWSCQG-FGZHOGPDSA-N 0 0 452.603 4.711 20 0 JJADRN Cc1noc(-c2ccccc2C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)n1 ZINC001449588979 1067016507 /nfs/dbraw/zinc/01/65/07/1067016507.db2.gz LYTCUHHUINZCLY-HXUWFJFHSA-N 0 0 454.571 4.543 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC001546098754 1067016547 /nfs/dbraw/zinc/01/65/47/1067016547.db2.gz MMSKRZPKGZKIBU-ACJLOTCBSA-N 0 0 455.190 4.630 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545747109 1067016699 /nfs/dbraw/zinc/01/66/99/1067016699.db2.gz ZGPRJOHLWXJMNF-WNCULLNHSA-N 0 0 467.658 4.522 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC([C@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)co2)ccn1 ZINC001449602762 1067016949 /nfs/dbraw/zinc/01/69/49/1067016949.db2.gz UVGVWOQPILKLRH-HXUWFJFHSA-N 0 0 454.571 4.543 20 0 JJADRN C[C@H](C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1)C(C)(F)F ZINC001545747238 1067017086 /nfs/dbraw/zinc/01/70/86/1067017086.db2.gz AUCMMAPVKSJULU-QGZVFWFLSA-N 0 0 450.489 4.524 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CCC(C)C)c1ccccc1 ZINC001545748513 1067017729 /nfs/dbraw/zinc/01/77/29/1067017729.db2.gz BMEVCEXIBGSZAQ-BJKOFHAPSA-N 0 0 487.714 4.697 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)CCC(=O)N2C)cc1 ZINC001458272363 1067017663 /nfs/dbraw/zinc/01/76/63/1067017663.db2.gz NYNJLPUBSAUTNN-AQOAWAETSA-N 0 0 455.624 4.851 20 0 JJADRN COc1cccc([C@H]2C[C@H](NC(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001449609535 1067017879 /nfs/dbraw/zinc/01/78/79/1067017879.db2.gz NVBZKKPWGKRCRS-MXVIHJGJSA-N 0 0 453.583 4.745 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC[S@]1=O ZINC001449610180 1067017942 /nfs/dbraw/zinc/01/79/42/1067017942.db2.gz PVEPQCQSRYQKNX-HHHXNRCGSA-N 0 0 454.361 4.754 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545748783 1067018045 /nfs/dbraw/zinc/01/80/45/1067018045.db2.gz FPBSAHABJFOLIW-GMAHTHKFSA-N 0 0 480.682 4.748 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cn(-c3ccccc3)nn2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458272870 1067018087 /nfs/dbraw/zinc/01/80/87/1067018087.db2.gz PXGRCAMQAVPJNA-JOCHJYFZSA-N 0 0 452.436 4.814 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1OC ZINC001546015849 1067018396 /nfs/dbraw/zinc/01/83/96/1067018396.db2.gz NJRQOFMNSZQGLE-ONOMSOESSA-N 0 0 459.586 4.745 20 0 JJADRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cc(Cl)ccc1OC(C)C ZINC001449622327 1067018433 /nfs/dbraw/zinc/01/84/33/1067018433.db2.gz DZIJPUALFDUDBF-OAHLLOKOSA-N 0 0 454.792 4.779 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1sc(C)nc1C)c1ccccc1 ZINC001545748830 1067018457 /nfs/dbraw/zinc/01/84/57/1067018457.db2.gz GHBNYHDEKDIGFZ-FGZHOGPDSA-N 0 0 469.655 4.573 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CCC(=O)N(CCC)CCC ZINC001458273465 1067018616 /nfs/dbraw/zinc/01/86/16/1067018616.db2.gz SPSKBKOHURLCJV-OAQYLSRUSA-N 0 0 455.565 4.952 20 0 JJADRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1occc1COc1ccccc1 ZINC001449623962 1067018556 /nfs/dbraw/zinc/01/85/56/1067018556.db2.gz GNOIRNHDHNWFNM-KRWDZBQOSA-N 0 0 458.352 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H]3CCCC[C@H]3c3ccccc3)[nH]n2)C1 ZINC001449634184 1067018587 /nfs/dbraw/zinc/01/85/87/1067018587.db2.gz COHOVOWSAXLVHA-ACRUOGEOSA-N 0 0 452.599 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCOc3ccc(Cl)c(F)c3)cc2C1 ZINC001449643756 1067018876 /nfs/dbraw/zinc/01/88/76/1067018876.db2.gz CEJVSGNSVHEHOP-UHFFFAOYSA-N 0 0 454.951 4.643 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCc1nc(C)no1)c1ccccc1 ZINC001545748910 1067018773 /nfs/dbraw/zinc/01/87/73/1067018773.db2.gz HBLZJXDDGCTADD-FGZHOGPDSA-N 0 0 466.630 4.928 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545748890 1067018791 /nfs/dbraw/zinc/01/87/91/1067018791.db2.gz GTGGNEVTNJHVJC-DNQXCXABSA-N 0 0 477.653 4.659 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545748891 1067018875 /nfs/dbraw/zinc/01/88/75/1067018875.db2.gz GTGGNEVTNJHVJC-RPWUZVMVSA-N 0 0 477.653 4.659 20 0 JJADRN O=C(NC[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001449652456 1067019162 /nfs/dbraw/zinc/01/91/62/1067019162.db2.gz ONPSNTMKSDKTRM-UYAOXDASSA-N 0 0 455.555 4.658 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1 ZINC001458277655 1067019379 /nfs/dbraw/zinc/01/93/79/1067019379.db2.gz NDELGKCIKZCIBS-RPVQJOFSSA-N 0 0 455.393 4.718 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001449652443 1067019521 /nfs/dbraw/zinc/01/95/21/1067019521.db2.gz ONPSNTMKSDKTRM-ICSRJNTNSA-N 0 0 455.555 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)C1 ZINC001449683060 1067019785 /nfs/dbraw/zinc/01/97/85/1067019785.db2.gz BHEAMQFBHKQLTG-HOTGVXAUSA-N 0 0 457.398 4.868 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545749343 1067019963 /nfs/dbraw/zinc/01/99/63/1067019963.db2.gz MZSAGPVCVFYBNU-BJKOFHAPSA-N 0 0 490.652 4.951 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545749464 1067020103 /nfs/dbraw/zinc/02/01/03/1067020103.db2.gz OHVSZZXHMNIUPF-SFTDATJTSA-N 0 0 476.547 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC001449684953 1067020249 /nfs/dbraw/zinc/02/02/49/1067020249.db2.gz BUSKMSDGUCUMKW-ZWKOTPCHSA-N 0 0 458.990 4.635 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](COC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545749468 1067020273 /nfs/dbraw/zinc/02/02/73/1067020273.db2.gz OLXVABNEYCTTAP-GGAORHGYSA-N 0 0 493.618 4.957 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCS(=O)(=O)CC)c1ccccc1 ZINC001545749458 1067020357 /nfs/dbraw/zinc/02/03/57/1067020357.db2.gz OHGVTMCVFZRWAP-NHCUHLMSSA-N 0 0 458.653 4.658 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)N1CCO ZINC001449688137 1067020322 /nfs/dbraw/zinc/02/03/22/1067020322.db2.gz UZJGOQFSVFIGJX-IYBDPMFKSA-N 0 0 453.435 4.813 20 0 JJADRN COc1cc([C@@H](NC(=O)/C=C\c2cnc(C(C)(C)C)s2)C(F)(F)F)cc(OC)c1OC ZINC001458279957 1067020537 /nfs/dbraw/zinc/02/05/37/1067020537.db2.gz HSSUUUKVEIVCML-JTHGQSKGSA-N 0 0 458.502 4.899 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC001449690033 1067020716 /nfs/dbraw/zinc/02/07/16/1067020716.db2.gz GVHFQQGNXUUMHA-ZWKOTPCHSA-N 0 0 458.990 4.839 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C)OC ZINC001546016593 1067020922 /nfs/dbraw/zinc/02/09/22/1067020922.db2.gz HCKVJUFHKFXZDT-IJXRJRJASA-N 0 0 487.620 4.737 20 0 JJADRN COc1cc2ccccc2cc1C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458283134 1067020990 /nfs/dbraw/zinc/02/09/90/1067020990.db2.gz AYRJBHRCWHIWER-NRFANRHFSA-N 0 0 456.464 4.788 20 0 JJADRN Cc1ccc(SCCC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC001458283144 1067021082 /nfs/dbraw/zinc/02/10/82/1067021082.db2.gz AZRMNIWVADUJSR-HXUWFJFHSA-N 0 0 450.526 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)C1 ZINC001449694387 1067021226 /nfs/dbraw/zinc/02/12/26/1067021226.db2.gz JWSFCHZXFLMKLT-LSDHHAIUSA-N 0 0 455.368 4.697 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1Br ZINC001449694449 1067021297 /nfs/dbraw/zinc/02/12/97/1067021297.db2.gz JZJXUXHFSZUFIA-GJZGRUSLSA-N 0 0 457.434 4.928 20 0 JJADRN Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449699652 1067021538 /nfs/dbraw/zinc/02/15/38/1067021538.db2.gz MLBNZUJWFWLIOQ-OALUTQOASA-N 0 0 457.546 4.898 20 0 JJADRN CC[C@H](c1nnc(N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC001545750125 1067021759 /nfs/dbraw/zinc/02/17/59/1067021759.db2.gz YMNAXAFXMLKBRS-FQEVSTJZSA-N 0 0 459.516 4.999 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545750138 1067021884 /nfs/dbraw/zinc/02/18/84/1067021884.db2.gz YOQRUBHZOMIJIQ-XZOQPEGZSA-N 0 0 454.640 4.870 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC001458287081 1067021913 /nfs/dbraw/zinc/02/19/13/1067021913.db2.gz GILXZCGTZBLKMS-QGZVFWFLSA-N 0 0 453.530 4.590 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 ZINC001458287237 1067021929 /nfs/dbraw/zinc/02/19/29/1067021929.db2.gz GWWPPFPXRGPZKW-UHFFFAOYSA-N 0 0 457.530 4.799 20 0 JJADRN COc1ccc2cccc(CC(=O)N3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2c1 ZINC001449702162 1067021793 /nfs/dbraw/zinc/02/17/93/1067021793.db2.gz NVXKQHAGLYDYTM-FGZHOGPDSA-N 0 0 452.595 4.887 20 0 JJADRN O=C(Cc1cccc(Cl)c1Cl)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458288675 1067022301 /nfs/dbraw/zinc/02/23/01/1067022301.db2.gz IYMGFWZGIJXVCD-QGZVFWFLSA-N 0 0 459.295 4.862 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545750159 1067022420 /nfs/dbraw/zinc/02/24/20/1067022420.db2.gz YTKLZTMNWVBOSP-CEWLAPEOSA-N 0 0 466.548 4.794 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545750254 1067022843 /nfs/dbraw/zinc/02/28/43/1067022843.db2.gz ZWODACAGCMXEET-GOTSBHOMSA-N 0 0 465.667 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3ncsc3Nc3ccccc3)C2)C1 ZINC001449715340 1067022930 /nfs/dbraw/zinc/02/29/30/1067022930.db2.gz VTGJPCZBPVHQEN-MSOLQXFVSA-N 0 0 456.612 4.996 20 0 JJADRN CC[C@@H](c1nnc(N2CCCOCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751211 1067023048 /nfs/dbraw/zinc/02/30/48/1067023048.db2.gz AWJDZSDXDLENBV-RBBKRZOGSA-N 0 0 471.646 4.550 20 0 JJADRN CCCCCn1nc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)c2ccccc2c1=O ZINC001458293404 1067023099 /nfs/dbraw/zinc/02/30/99/1067023099.db2.gz CWUGWPMHEQNKJS-UHFFFAOYSA-N 0 0 450.930 4.586 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cc2ccc(F)cc2s1 ZINC001458294107 1067023219 /nfs/dbraw/zinc/02/32/19/1067023219.db2.gz SPWCBFSQVISWAP-KRWDZBQOSA-N 0 0 450.457 4.980 20 0 JJADRN COc1cc([C@H](NC(=O)COc2ccc(C(C)C)c(C)c2)C(F)(F)F)cc(OC)c1OC ZINC001458293911 1067023346 /nfs/dbraw/zinc/02/33/46/1067023346.db2.gz VFRZGUUSFQOVQG-QFIPXVFZSA-N 0 0 455.473 4.943 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1 ZINC001449717899 1067023286 /nfs/dbraw/zinc/02/32/86/1067023286.db2.gz ZHMFJXCHOLKOPR-WMQCIHAUSA-N 0 0 458.647 4.645 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cnn1-c1ccc(C)cc1 ZINC001449717965 1067023296 /nfs/dbraw/zinc/02/32/96/1067023296.db2.gz ZUSQIINDLVLHMG-SFTDATJTSA-N 0 0 452.599 4.598 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001545751288 1067023434 /nfs/dbraw/zinc/02/34/34/1067023434.db2.gz CCZFGLNFMPVNOD-NLFFAJNJSA-N 0 0 457.569 4.528 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC001458294929 1067023541 /nfs/dbraw/zinc/02/35/41/1067023541.db2.gz NNDCFADQWRXHSS-BUVFEPMLSA-N 0 0 451.563 4.784 20 0 JJADRN CC[C@H](c1nnc(N2CCCO[C@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545751311 1067023597 /nfs/dbraw/zinc/02/35/97/1067023597.db2.gz CUEUASFLDVWVPS-QUCCMNQESA-N 0 0 493.599 4.595 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](CO)Cc2ccc(C)c(Br)c2)s1 ZINC001449733923 1067023754 /nfs/dbraw/zinc/02/37/54/1067023754.db2.gz SIXIUYGWIJEXPV-QGZVFWFLSA-N 0 0 459.409 4.770 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC001449738226 1067023782 /nfs/dbraw/zinc/02/37/82/1067023782.db2.gz IKCPOLQXFMEXPS-JPYJTQIMSA-N 0 0 450.392 4.760 20 0 JJADRN FC(F)c1cc(NCCOc2c(Cl)cc(Br)cc2Cl)n2ncnc2n1 ZINC001458294867 1067023758 /nfs/dbraw/zinc/02/37/58/1067023758.db2.gz FAXFYMADLQEZKA-UHFFFAOYSA-N 0 0 453.074 4.622 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](COC)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751471 1067023910 /nfs/dbraw/zinc/02/39/10/1067023910.db2.gz GGQMJLGUQNRJJB-GMAHTHKFSA-N 0 0 485.673 4.940 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)c2ccccc2Oc2cccnc2)cc1Br ZINC001449734827 1067023839 /nfs/dbraw/zinc/02/38/39/1067023839.db2.gz XNWVQPPVEIVFKI-SFHVURJKSA-N 0 0 455.352 4.526 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751470 1067024095 /nfs/dbraw/zinc/02/40/95/1067024095.db2.gz GGQMJLGUQNRJJB-GGAORHGYSA-N 0 0 485.673 4.940 20 0 JJADRN CC[C@@H](Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C)OC ZINC001546016520 1067024170 /nfs/dbraw/zinc/02/41/70/1067024170.db2.gz GIQDPEDYRBEGJM-PMACEKPBSA-N 0 0 473.622 4.515 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC001449740076 1067024242 /nfs/dbraw/zinc/02/42/42/1067024242.db2.gz GRRPCFMRRUYKAY-SFTDATJTSA-N 0 0 458.647 4.789 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC001458296058 1067024444 /nfs/dbraw/zinc/02/44/44/1067024444.db2.gz QGDCFDYWCKXKSH-UXHICEINSA-N 0 0 456.539 4.522 20 0 JJADRN CCSCc1ccccc1C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458296064 1067024526 /nfs/dbraw/zinc/02/45/26/1067024526.db2.gz QGLNTVWKOWSMTO-FQEVSTJZSA-N 0 0 450.526 4.880 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001449742463 1067024865 /nfs/dbraw/zinc/02/48/65/1067024865.db2.gz LBKIEANMFCVKCC-LEWJYISDSA-N 0 0 450.023 4.600 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC001449742638 1067024943 /nfs/dbraw/zinc/02/49/43/1067024943.db2.gz OAXMTODVWDVQNU-KRWDZBQOSA-N 0 0 450.392 4.786 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC001449746124 1067025113 /nfs/dbraw/zinc/02/51/13/1067025113.db2.gz VKMUFZPBILTUOI-JLTOFOAXSA-N 0 0 456.783 4.949 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545751746 1067025537 /nfs/dbraw/zinc/02/55/37/1067025537.db2.gz KMSSFOLSZPNDPG-VDKIKQQVSA-N 0 0 481.685 4.720 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017032 1067025458 /nfs/dbraw/zinc/02/54/58/1067025458.db2.gz NTDVRJVZNUCYOA-UMEGOILYSA-N 0 0 460.594 4.552 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Nc1cc(C(F)F)nc2ncnn21)c1ccc2ccccc2c1 ZINC001458304187 1067025539 /nfs/dbraw/zinc/02/55/39/1067025539.db2.gz VWRHWCDRHVISJJ-GOSISDBHSA-N 0 0 454.481 4.893 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](Nc1cc(C(F)F)nc2ncnn21)c1ccc2ccccc2c1 ZINC001458304197 1067025745 /nfs/dbraw/zinc/02/57/45/1067025745.db2.gz VWRHWCDRHVISJJ-SFHVURJKSA-N 0 0 454.481 4.893 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2COCc2ccccc2)c(F)c1 ZINC001449756935 1067025525 /nfs/dbraw/zinc/02/55/25/1067025525.db2.gz ULNOAZZSPSQVFQ-UHFFFAOYSA-N 0 0 456.539 4.947 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)C2(c3ccccc3)CC3(CCC3)C2)cc1Br ZINC001449755258 1067025606 /nfs/dbraw/zinc/02/56/06/1067025606.db2.gz IVZJEXNEBJGFIS-HXUWFJFHSA-N 0 0 456.424 4.927 20 0 JJADRN COC[C@@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1 ZINC001449754150 1067025639 /nfs/dbraw/zinc/02/56/39/1067025639.db2.gz WXEUZFVFLGCTTH-RHSMWYFYSA-N 0 0 455.769 4.546 20 0 JJADRN Cn1ccnc1SCc1cccc(C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001449752713 1067025706 /nfs/dbraw/zinc/02/57/06/1067025706.db2.gz ZNTLUQSCXIGNAX-HXUWFJFHSA-N 0 0 458.628 4.622 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)c2nc3ccccc3cc2C2CC2)cc1Br ZINC001449762682 1067025883 /nfs/dbraw/zinc/02/58/83/1067025883.db2.gz PFXBDDJANMETCT-KRWDZBQOSA-N 0 0 453.380 4.764 20 0 JJADRN CN1CCCc2cc(COC(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)ccc21 ZINC001458308932 1067025922 /nfs/dbraw/zinc/02/59/22/1067025922.db2.gz LGROWYCQQFSVLR-ZXFWNXIDSA-N 0 0 452.982 4.860 20 0 JJADRN CSc1ncc(I)c(N[C@H](C)c2ccc(F)cc2OC(F)F)n1 ZINC001458310571 1067026510 /nfs/dbraw/zinc/02/65/10/1067026510.db2.gz PSWZGUAMWFYITQ-SSDOTTSWSA-N 0 0 455.243 4.717 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545752045 1067026436 /nfs/dbraw/zinc/02/64/36/1067026436.db2.gz PURDVRKLMZBNFY-GVAUOCQISA-N 0 0 497.684 4.940 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)Nc1ncnc(C(F)(F)F)c1Br ZINC001458309122 1067026619 /nfs/dbraw/zinc/02/66/19/1067026619.db2.gz LNQBIBLBXZXSCJ-TZMCWYRMSA-N 0 0 458.278 4.722 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CC(=O)NC1CCCCC1)c1ccccc1 ZINC001545752173 1067027148 /nfs/dbraw/zinc/02/71/48/1067027148.db2.gz SDEZUFVDOLCPEJ-QPPBQGQZSA-N 0 0 467.658 4.522 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1 ZINC001449775163 1067027226 /nfs/dbraw/zinc/02/72/26/1067027226.db2.gz KVZUSCAEUFJXNI-CKUXNOBLSA-N 0 0 474.642 4.807 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 ZINC001449776650 1067027376 /nfs/dbraw/zinc/02/73/76/1067027376.db2.gz RRROIUMILGKGLH-DSNGMDLFSA-N 0 0 480.605 4.728 20 0 JJADRN COc1cc(NC(=O)CCCc2ccc3c(c2)OCCCO3)cc(OC)c1Br ZINC001458314766 1067027933 /nfs/dbraw/zinc/02/79/33/1067027933.db2.gz JBQCBVZHMICDAH-UHFFFAOYSA-N 0 0 450.329 4.589 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ccc(OC)c(Br)c1 ZINC001458315327 1067027979 /nfs/dbraw/zinc/02/79/79/1067027979.db2.gz FBALLYWOHCWVRR-AABGKKOBSA-N 0 0 460.368 4.618 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ncccc3-c3ccccc3)CC2=O)ccc1Br ZINC001458314615 1067027995 /nfs/dbraw/zinc/02/79/95/1067027995.db2.gz AVTOABGKYKVDLS-KRWDZBQOSA-N 0 0 450.336 4.811 20 0 JJADRN CO[C@H](C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(Br)s1 ZINC001458315722 1067028269 /nfs/dbraw/zinc/02/82/69/1067028269.db2.gz MLKXIGFNVBBFGL-LBPRGKRZSA-N 0 0 457.243 4.511 20 0 JJADRN COc1cc(NC(=O)c2c(F)cc(Br)cc2F)cc(OC)c1Br ZINC001458315995 1067028277 /nfs/dbraw/zinc/02/82/77/1067028277.db2.gz PIAMIZHCTHEWQY-UHFFFAOYSA-N 0 0 451.061 4.759 20 0 JJADRN C[C@H](CO)n1c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2nc1C(F)(F)F ZINC001449788670 1067028338 /nfs/dbraw/zinc/02/83/38/1067028338.db2.gz DNLOQIXRSJEGFP-KZULUSFZSA-N 0 0 454.880 4.503 20 0 JJADRN CN(CCOCc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001545752701 1067028587 /nfs/dbraw/zinc/02/85/87/1067028587.db2.gz BKOGMEQTEKDYGH-UHFFFAOYSA-N 0 0 452.595 4.631 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)OC(C)(C)C ZINC001449790067 1067028604 /nfs/dbraw/zinc/02/86/04/1067028604.db2.gz YFPBZPALNNFDLV-YOEHRIQHSA-N 0 0 455.020 4.796 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2cc(Br)no2)cc1 ZINC001449794551 1067028617 /nfs/dbraw/zinc/02/86/17/1067028617.db2.gz FAHFGQOAUKWUIF-UHFFFAOYSA-N 0 0 455.287 4.667 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(C2CCOCC2)s1)c1ccc(F)cc1F ZINC001449788929 1067028766 /nfs/dbraw/zinc/02/87/66/1067028766.db2.gz PJUMKDHGAUTXJT-KRWDZBQOSA-N 0 0 453.511 4.520 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC001458318999 1067029089 /nfs/dbraw/zinc/02/90/89/1067029089.db2.gz AXPNWGIDKDEEEO-PXAZEXFGSA-N 0 0 451.386 4.674 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC001458318319 1067029183 /nfs/dbraw/zinc/02/91/83/1067029183.db2.gz OQFCQJTXOMFPJK-UHFFFAOYSA-N 0 0 454.574 4.885 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC001449795147 1067029189 /nfs/dbraw/zinc/02/91/89/1067029189.db2.gz WZUMZLADDZGNFE-SFHVURJKSA-N 0 0 459.315 4.592 20 0 JJADRN CC[C@@H](CSC)N(C)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001458319770 1067029349 /nfs/dbraw/zinc/02/93/49/1067029349.db2.gz BYDMFDUAAOFQQI-SFHVURJKSA-N 0 0 454.514 4.937 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545753928 1067029668 /nfs/dbraw/zinc/02/96/68/1067029668.db2.gz BBKYYHWTNCMBDC-DENIHFKCSA-N 0 0 480.613 4.610 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546017350 1067029766 /nfs/dbraw/zinc/02/97/66/1067029766.db2.gz SSFCYSFFZPRPOR-NRFANRHFSA-N 0 0 471.646 4.956 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(OC)nc2)CCO1 ZINC001546099350 1067029874 /nfs/dbraw/zinc/02/98/74/1067029874.db2.gz CGXNRYJQCDHPBY-HHHXNRCGSA-N 0 0 479.625 4.612 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001458321565 1067030265 /nfs/dbraw/zinc/03/02/65/1067030265.db2.gz WAUWPOUEGGZMLN-QUZZAMIASA-N 0 0 453.583 4.845 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2Cc2cccs2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545754161 1067030210 /nfs/dbraw/zinc/03/02/10/1067030210.db2.gz HRLVKEGFPNAKCK-UNMCSNQZSA-N 0 0 465.667 4.865 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCOC(C)C)c1ccccc1 ZINC001545754283 1067030543 /nfs/dbraw/zinc/03/05/43/1067030543.db2.gz JOJMYIIHZUEKMY-HSZRJFAPSA-N 0 0 481.666 4.659 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC001449828067 1067030822 /nfs/dbraw/zinc/03/08/22/1067030822.db2.gz VNCWYHQJRPKCTD-UHFFFAOYSA-N 0 0 454.473 4.610 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCOC(C)C)c1ccccc1 ZINC001545754284 1067030902 /nfs/dbraw/zinc/03/09/02/1067030902.db2.gz JOJMYIIHZUEKMY-QHCPKHFHSA-N 0 0 481.666 4.659 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545754374 1067030983 /nfs/dbraw/zinc/03/09/83/1067030983.db2.gz LRDJFLFKKLXLQS-WMZOPIPTSA-N 0 0 467.536 4.685 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017565 1067031084 /nfs/dbraw/zinc/03/10/84/1067031084.db2.gz XCJCKZNJMJNVKO-ICSRJNTNSA-N 0 0 457.619 4.926 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545754526 1067031389 /nfs/dbraw/zinc/03/13/89/1067031389.db2.gz PEAACTLSCNKIME-IRLDBZIGSA-N 0 0 483.657 4.571 20 0 JJADRN C[C@H](CCO)n1c2ccc(NC(=O)c3ncc4cc(Cl)ccn43)cc2nc1C(F)(F)F ZINC001449843305 1067031563 /nfs/dbraw/zinc/03/15/63/1067031563.db2.gz TWNHGDUYCHCPRA-LLVKDONJSA-N 0 0 451.836 4.552 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC2 ZINC001458327216 1067031651 /nfs/dbraw/zinc/03/16/51/1067031651.db2.gz RNVKYCSAKDNFST-BEFAXECRSA-N 0 0 453.421 4.828 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001458327478 1067031771 /nfs/dbraw/zinc/03/17/71/1067031771.db2.gz VBMOLNXQBUKJHV-LLVKDONJSA-N 0 0 457.137 4.703 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC2 ZINC001458327219 1067031782 /nfs/dbraw/zinc/03/17/82/1067031782.db2.gz RNVKYCSAKDNFST-DNVCBOLYSA-N 0 0 453.421 4.828 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOC(C)C)c1ccccc1 ZINC001545754782 1067031733 /nfs/dbraw/zinc/03/17/33/1067031733.db2.gz UYZSPALATYIYDW-IRLDBZIGSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC[C@H]1C[C@H](F)C1)c1ccccc1 ZINC001545754830 1067031761 /nfs/dbraw/zinc/03/17/61/1067031761.db2.gz VWIZGVKHVAWAIO-YMPZKCBVSA-N 0 0 470.637 4.542 20 0 JJADRN COC(=O)c1cnc(NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 ZINC001458329305 1067032160 /nfs/dbraw/zinc/03/21/60/1067032160.db2.gz IZQZPOWAUUEICV-LJQANCHMSA-N 0 0 458.436 4.826 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545756057 1067032581 /nfs/dbraw/zinc/03/25/81/1067032581.db2.gz AGDBMNQCIXMORM-FQEVSTJZSA-N 0 0 463.573 4.780 20 0 JJADRN CC[C@@H](Cn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017303 1067032444 /nfs/dbraw/zinc/03/24/44/1067032444.db2.gz RZFGSVKHCHMBQF-QFIPXVFZSA-N 0 0 499.700 4.761 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017649 1067032658 /nfs/dbraw/zinc/03/26/58/1067032658.db2.gz YVRZPXIDHOCAJO-OALUTQOASA-N 0 0 488.652 4.733 20 0 JJADRN Cn1cnn(-c2ccc(NC(=O)c3ccc(F)cc3-c3ccc(Cl)c(Cl)c3)cc2)c1=O ZINC001458332213 1067032901 /nfs/dbraw/zinc/03/29/01/1067032901.db2.gz OYVIJWUQNTYEEV-UHFFFAOYSA-N 0 0 457.292 4.936 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H](OC)C(C)C)c1ccccc1 ZINC001545756178 1067033070 /nfs/dbraw/zinc/03/30/70/1067033070.db2.gz BYVCLQHCHPXFRK-YMPZKCBVSA-N 0 0 482.698 4.831 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCCCC1)[C@H]1CCCN1Cc1ccccn1 ZINC001449868083 1067033279 /nfs/dbraw/zinc/03/32/79/1067033279.db2.gz OCMUZQJKWJOMOL-JOCHJYFZSA-N 0 0 456.428 4.827 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1(C)C ZINC001449874574 1067033343 /nfs/dbraw/zinc/03/33/43/1067033343.db2.gz DHORJKXSYOSRHR-BPQIPLTHSA-N 0 0 451.405 4.704 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3cnccn3)CC2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545756433 1067034035 /nfs/dbraw/zinc/03/40/35/1067034035.db2.gz HWGWTEWXGDXTAZ-IBGZPJMESA-N 0 0 473.547 4.525 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546099566 1067034393 /nfs/dbraw/zinc/03/43/93/1067034393.db2.gz HZONDVWPHLJPMP-JKFCTSDTSA-N 0 0 490.714 4.707 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCC[C@@H]2C)CCO1 ZINC001546099542 1067034408 /nfs/dbraw/zinc/03/44/08/1067034408.db2.gz HGEFBOQGAZEKRX-LZYPDUGYSA-N 0 0 491.076 4.808 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756777 1067034592 /nfs/dbraw/zinc/03/45/92/1067034592.db2.gz OAPWAJQANBRODY-QPPBQGQZSA-N 0 0 494.709 4.679 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N[C@H]1CCCOCC1 ZINC001458338829 1067034563 /nfs/dbraw/zinc/03/45/63/1067034563.db2.gz FGWPNWTWJOXXAA-FQEVSTJZSA-N 0 0 454.368 4.530 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545756954 1067035090 /nfs/dbraw/zinc/03/50/90/1067035090.db2.gz QNLWDGJLLHHBJB-YVNJGZBMSA-N 0 0 481.607 4.954 20 0 JJADRN CN(Cc1ccc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1)C(=O)OC(C)(C)C ZINC001449900291 1067035098 /nfs/dbraw/zinc/03/50/98/1067035098.db2.gz LMTZOPDEFSQYOR-HXUWFJFHSA-N 0 0 457.958 4.699 20 0 JJADRN CN(Cc1ccc(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1)C(=O)OC(C)(C)C ZINC001449898753 1067035224 /nfs/dbraw/zinc/03/52/24/1067035224.db2.gz JBNQZPWIYCURSF-OAQYLSRUSA-N 0 0 453.539 4.576 20 0 JJADRN Cc1cc(NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)nn1-c1cccc(F)c1 ZINC001458340537 1067035514 /nfs/dbraw/zinc/03/55/14/1067035514.db2.gz MPWYKUPPMZWICG-NRFANRHFSA-N 0 0 457.347 4.858 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1 ZINC001546018069 1067035643 /nfs/dbraw/zinc/03/56/43/1067035643.db2.gz OHPOEYCMFOCPKH-TWGQIWQCSA-N 0 0 456.395 4.718 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001458342116 1067035784 /nfs/dbraw/zinc/03/57/84/1067035784.db2.gz QIEQLMWMVQMGHU-FQEVSTJZSA-N 0 0 454.571 4.647 20 0 JJADRN CN(Cc1ccc(NC(=O)CCCNC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C ZINC001449902813 1067035902 /nfs/dbraw/zinc/03/59/02/1067035902.db2.gz RJEHVZUOEJWODW-UHFFFAOYSA-N 0 0 455.555 4.699 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545757447 1067035955 /nfs/dbraw/zinc/03/59/55/1067035955.db2.gz ZHMOXQSEKYDNEE-IFMALSPDSA-N 0 0 479.698 4.812 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1C(C)C ZINC001458341870 1067035984 /nfs/dbraw/zinc/03/59/84/1067035984.db2.gz CHEABCPOFLTBLK-KRWDZBQOSA-N 0 0 451.350 4.669 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cnc(Cl)cc1C(F)(F)F ZINC001458342173 1067035998 /nfs/dbraw/zinc/03/59/98/1067035998.db2.gz DIAQWXNNHISJNP-CYBMUJFWSA-N 0 0 452.647 4.596 20 0 JJADRN Cc1cc(NC(=O)COc2ccc(Br)cn2)nn1-c1ccc(Cl)cc1Cl ZINC001458342831 1067036158 /nfs/dbraw/zinc/03/61/58/1067036158.db2.gz VQNHRVNETKVAOY-UHFFFAOYSA-N 0 0 456.127 4.663 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545758149 1067036265 /nfs/dbraw/zinc/03/62/65/1067036265.db2.gz ARSOOSCENLEIMX-YZGWKJHDSA-N 0 0 453.528 4.643 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001458344163 1067036541 /nfs/dbraw/zinc/03/65/41/1067036541.db2.gz AETRPMATSIGEIP-YTJPUZGESA-N 0 0 451.485 4.556 20 0 JJADRN O=C(NC1CCC(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1)C1CCCC1 ZINC001458343915 1067036563 /nfs/dbraw/zinc/03/65/63/1067036563.db2.gz HJHOYSQGQXXIBI-DAWZGUTISA-N 0 0 452.426 4.554 20 0 JJADRN CC[C@@H](C)[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908075 1067036996 /nfs/dbraw/zinc/03/69/96/1067036996.db2.gz AYIRHNSGSSSJEU-YJYMSZOUSA-N 0 0 459.395 4.585 20 0 JJADRN FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1ncnc2ccc(I)cc21 ZINC001458345727 1067037154 /nfs/dbraw/zinc/03/71/54/1067037154.db2.gz HOUDKCAIZSXCHL-DOMZBBRYSA-N 0 0 453.230 4.804 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC001449913574 1067037467 /nfs/dbraw/zinc/03/74/67/1067037467.db2.gz JFHXSMDIGVZTGQ-KZULUSFZSA-N 0 0 458.805 4.784 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCC1(F)CCC1)c1ccccc1 ZINC001545758399 1067037551 /nfs/dbraw/zinc/03/75/51/1067037551.db2.gz GJISSOJDKGRCHF-IRLDBZIGSA-N 0 0 455.622 4.795 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCCCOc2cccc(C)c2)c1 ZINC001449918152 1067037905 /nfs/dbraw/zinc/03/79/05/1067037905.db2.gz QHNBXEGVYQYLQF-OAQYLSRUSA-N 0 0 450.373 4.507 20 0 JJADRN C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)c23)C1 ZINC001458346678 1067037913 /nfs/dbraw/zinc/03/79/13/1067037913.db2.gz MCIPLUPKHULPRN-LLVKDONJSA-N 0 0 455.527 4.851 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001449918281 1067037918 /nfs/dbraw/zinc/03/79/18/1067037918.db2.gz SIEDRTBTJJEYBG-UHFFFAOYSA-N 0 0 457.760 4.950 20 0 JJADRN O=C(Nc1cccc(O)c1Br)c1ccc(I)cc1Cl ZINC001449940644 1067038139 /nfs/dbraw/zinc/03/81/39/1067038139.db2.gz QOUOPRJFDCDQBQ-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)c1ncnc2ccc(I)cc21 ZINC001458348011 1067038419 /nfs/dbraw/zinc/03/84/19/1067038419.db2.gz XGZIKJBGHNDRQV-QGZVFWFLSA-N 0 0 453.711 4.712 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCSC2(CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001546018479 1067038884 /nfs/dbraw/zinc/03/88/84/1067038884.db2.gz CQWSZGUNBIFRNI-RBUKOAKNSA-N 0 0 479.691 4.689 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)cc1 ZINC001458349404 1067039144 /nfs/dbraw/zinc/03/91/44/1067039144.db2.gz MPQLKROWCDGRNZ-XCLFUZPHSA-N 0 0 456.764 4.772 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)ccc2c1 ZINC001449966346 1067039280 /nfs/dbraw/zinc/03/92/80/1067039280.db2.gz PDFCPBBRUDNGGL-QGZVFWFLSA-N 0 0 452.352 4.660 20 0 JJADRN CN(C)c1ccc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)ccc2c1 ZINC001449961555 1067039306 /nfs/dbraw/zinc/03/93/06/1067039306.db2.gz ABBVUGHFPTYUMY-UHFFFAOYSA-N 0 0 459.571 4.637 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449968477 1067039355 /nfs/dbraw/zinc/03/93/55/1067039355.db2.gz MNQHKUZKTFSEIA-VIFPVBQESA-N 0 0 452.729 4.544 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)c2c1C ZINC001458349750 1067039382 /nfs/dbraw/zinc/03/93/82/1067039382.db2.gz UAQWYMSIHONWLA-LPHOPBHVSA-N 0 0 452.624 4.929 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)cc1 ZINC001458351221 1067039588 /nfs/dbraw/zinc/03/95/88/1067039588.db2.gz TXEJSIZKNZLNQJ-HFJWLAOPSA-N 0 0 459.546 4.608 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC001449978167 1067039636 /nfs/dbraw/zinc/03/96/36/1067039636.db2.gz VJBJMDGHHXENBF-LLVKDONJSA-N 0 0 455.367 4.512 20 0 JJADRN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001449978951 1067039737 /nfs/dbraw/zinc/03/97/37/1067039737.db2.gz WQTOOKNYFIZJDI-ZDUSSCGKSA-N 0 0 454.379 4.643 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458350992 1067039704 /nfs/dbraw/zinc/03/97/04/1067039704.db2.gz ZNYROVVRVSQTGU-YLJYHZDGSA-N 0 0 457.567 4.951 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)cc1 ZINC001458351220 1067039807 /nfs/dbraw/zinc/03/98/07/1067039807.db2.gz TXEJSIZKNZLNQJ-DWXRJYCRSA-N 0 0 459.546 4.608 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546018575 1067039865 /nfs/dbraw/zinc/03/98/65/1067039865.db2.gz FCSYCTMKBGMJDA-DOIPELPJSA-N 0 0 493.693 4.505 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546018578 1067039881 /nfs/dbraw/zinc/03/98/81/1067039881.db2.gz FCSYCTMKBGMJDA-XRXFAXGQSA-N 0 0 493.693 4.505 20 0 JJADRN C[C@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC001458352547 1067040020 /nfs/dbraw/zinc/04/00/20/1067040020.db2.gz XOXMIEWBXDLTMN-KZULUSFZSA-N 0 0 457.290 4.647 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N[C@@H](C)[C@@H](OC)c3ccc(OC)cc3)CC2(Cl)Cl)cc1 ZINC001458352189 1067040075 /nfs/dbraw/zinc/04/00/75/1067040075.db2.gz WKNMYSSTONTBNU-GNSUPJDDSA-N 0 0 452.378 4.802 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC001458352206 1067040126 /nfs/dbraw/zinc/04/01/26/1067040126.db2.gz BXDYTPUQPSJDBF-DOTOQJQBSA-N 0 0 459.974 4.831 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546018642 1067040406 /nfs/dbraw/zinc/04/04/06/1067040406.db2.gz GJJYBJBOGUACQK-PLACYPQZSA-N 0 0 477.694 4.982 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cc(-c4ccccc4F)on3)cc2C1 ZINC001458352590 1067040324 /nfs/dbraw/zinc/04/03/24/1067040324.db2.gz FJKHFXFCCYACLC-OAHLLOKOSA-N 0 0 452.486 4.510 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2C1 ZINC001458353977 1067040377 /nfs/dbraw/zinc/04/03/77/1067040377.db2.gz IYFMWHSXQFXPNX-LLVKDONJSA-N 0 0 455.317 4.557 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458352839 1067040594 /nfs/dbraw/zinc/04/05/94/1067040594.db2.gz YSNQQWOAJKKVBT-DIFFPNOSSA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3cc(-c4ccccc4F)on3)cc2C1 ZINC001458352589 1067040636 /nfs/dbraw/zinc/04/06/36/1067040636.db2.gz FJKHFXFCCYACLC-HNNXBMFYSA-N 0 0 452.486 4.510 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC001450009418 1067041213 /nfs/dbraw/zinc/04/12/13/1067041213.db2.gz SQJHDLJHVGCNPU-HUUCEWRRSA-N 0 0 458.477 4.738 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC(C)(F)F)c1ccccc1 ZINC001545759386 1067041942 /nfs/dbraw/zinc/04/19/42/1067041942.db2.gz XKFALRHGIHGHCH-AEFFLSMTSA-N 0 0 459.507 4.938 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC(C)(F)F)c1ccccc1 ZINC001545759388 1067041957 /nfs/dbraw/zinc/04/19/57/1067041957.db2.gz XKFALRHGIHGHCH-SJLPKXTDSA-N 0 0 459.507 4.938 20 0 JJADRN CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001458360073 1067041964 /nfs/dbraw/zinc/04/19/64/1067041964.db2.gz RULXOEPVYLPJRJ-KRWDZBQOSA-N 0 0 459.450 4.567 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2)c1Br ZINC001458360434 1067042128 /nfs/dbraw/zinc/04/21/28/1067042128.db2.gz UYKLAHXDFSGELQ-QGZVFWFLSA-N 0 0 452.274 4.928 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001545760128 1067043331 /nfs/dbraw/zinc/04/33/31/1067043331.db2.gz SSVZHYFEKRZHQZ-UHFFFAOYSA-N 0 0 457.518 4.856 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c(C(C)(C)C)c1 ZINC001450028018 1067043310 /nfs/dbraw/zinc/04/33/10/1067043310.db2.gz FTCTWAIQMQHBSE-UHFFFAOYSA-N 0 0 450.579 4.819 20 0 JJADRN C[C@@]12CCN(c3ncc(C(F)(F)F)cc3I)C[C@@H]1C2(Cl)Cl ZINC001458369228 1067043728 /nfs/dbraw/zinc/04/37/28/1067043728.db2.gz SFNSIAYAFFKZFS-GXSJLCMTSA-N 0 0 451.057 4.725 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545760480 1067043930 /nfs/dbraw/zinc/04/39/30/1067043930.db2.gz DNCBBCGKWFMFEX-NHCICSSKSA-N 0 0 492.542 4.705 20 0 JJADRN CC(C)[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)[C@@H](CO)C(C)C ZINC001450043991 1067044005 /nfs/dbraw/zinc/04/40/05/1067044005.db2.gz VSWBOJRQZXFTQA-NBGIEHNGSA-N 0 0 458.002 4.674 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(COC)CC1)Oc1ccccc1F ZINC001546019008 1067044018 /nfs/dbraw/zinc/04/40/18/1067044018.db2.gz MIODHDYSEJWFKK-YZUZCNPQSA-N 0 0 486.632 4.976 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545760777 1067044330 /nfs/dbraw/zinc/04/43/30/1067044330.db2.gz IKHQVIKHLPPBNT-IFMALSPDSA-N 0 0 467.589 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046640 1067044571 /nfs/dbraw/zinc/04/45/71/1067044571.db2.gz JRWRJPMLEXXCOE-MJGOQNOKSA-N 0 0 451.405 4.630 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC(C)C)NC(=O)OC(C)(C)C ZINC001546019117 1067045027 /nfs/dbraw/zinc/04/50/27/1067045027.db2.gz OPKCAXUZYZAVGJ-VAMGGRTRSA-N 0 0 465.683 4.982 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NC[C@H]1COC2(CCCCCC2)O1 ZINC001458375421 1067045408 /nfs/dbraw/zinc/04/54/08/1067045408.db2.gz IHKJKGBFOWIXKR-HNNXBMFYSA-N 0 0 453.402 4.574 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC001458374170 1067045513 /nfs/dbraw/zinc/04/55/13/1067045513.db2.gz APZJASYBFAWWPO-UHFFFAOYSA-N 0 0 450.379 4.992 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001450059422 1067045464 /nfs/dbraw/zinc/04/54/64/1067045464.db2.gz UKFPMTYSWKEDSH-IAGOWNOFSA-N 0 0 457.619 4.549 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545761931 1067045692 /nfs/dbraw/zinc/04/56/92/1067045692.db2.gz YXHKWSRZIDUHII-RPWUZVMVSA-N 0 0 463.626 4.912 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 ZINC001546099904 1067045778 /nfs/dbraw/zinc/04/57/78/1067045778.db2.gz PMAXINNOKDGZFC-GBXCKJPGSA-N 0 0 478.584 4.584 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001450062149 1067045689 /nfs/dbraw/zinc/04/56/89/1067045689.db2.gz JAIVZVXMOSFPMW-FQEVSTJZSA-N 0 0 450.595 4.705 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001546099905 1067045944 /nfs/dbraw/zinc/04/59/44/1067045944.db2.gz PMAXINNOKDGZFC-HYBUGGRVSA-N 0 0 478.584 4.584 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 ZINC001546099906 1067045973 /nfs/dbraw/zinc/04/59/73/1067045973.db2.gz PMAXINNOKDGZFC-RDPSFJRHSA-N 0 0 478.584 4.584 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001450062324 1067046019 /nfs/dbraw/zinc/04/60/19/1067046019.db2.gz JAIVZVXMOSFPMW-HXUWFJFHSA-N 0 0 450.595 4.705 20 0 JJADRN O=C(Nc1ccnc(OCC(F)(F)F)c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001458377473 1067046096 /nfs/dbraw/zinc/04/60/96/1067046096.db2.gz QVMYIFRUHBUWAB-QGZVFWFLSA-N 0 0 458.278 4.561 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545762982 1067046314 /nfs/dbraw/zinc/04/63/14/1067046314.db2.gz ASWHXLOIHUXRBH-SFTDATJTSA-N 0 0 469.655 4.714 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545763031 1067046593 /nfs/dbraw/zinc/04/65/93/1067046593.db2.gz BIRYQWOCVITYAQ-PZJWPPBQSA-N 0 0 492.611 4.655 20 0 JJADRN CC[C@H](c1nnc(N2CCOC3(C2)CCCCCC3)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545763092 1067046725 /nfs/dbraw/zinc/04/67/25/1067046725.db2.gz CCMAHZHXMWGFIL-QHCPKHFHSA-N 0 0 467.658 4.522 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc2cc(Br)cnc2[nH]1 ZINC001450072308 1067046758 /nfs/dbraw/zinc/04/67/58/1067046758.db2.gz ARAVSAYIVIIFIW-UHFFFAOYSA-N 0 0 458.341 4.870 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 ZINC001450070408 1067046871 /nfs/dbraw/zinc/04/68/71/1067046871.db2.gz DTKMUZUTYBPWNH-UHFFFAOYSA-N 0 0 456.542 4.819 20 0 JJADRN Cc1cccc2c1CC(C)(C)N(C(=O)c1cccc(S(=O)(=O)Nc3ccc(F)cc3)c1)C2 ZINC001450065516 1067047144 /nfs/dbraw/zinc/04/71/44/1067047144.db2.gz HRKFSYSWRHRLJG-UHFFFAOYSA-N 0 0 452.551 4.912 20 0 JJADRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001458384844 1067047380 /nfs/dbraw/zinc/04/73/80/1067047380.db2.gz JWDWASZHCXINHG-RNODOKPDSA-N 0 0 454.876 4.992 20 0 JJADRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC001458383429 1067047455 /nfs/dbraw/zinc/04/74/55/1067047455.db2.gz GZDSJXKXHNGGOC-KUHUBIRLSA-N 0 0 459.999 4.652 20 0 JJADRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001458384847 1067047486 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QUDNJNZCHCKLTK-OPAMFIHVSA-N 0 0 452.917 4.962 20 0 JJADRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(Cn2cc(Br)cn2)s1 ZINC001458389721 1067048613 /nfs/dbraw/zinc/04/86/13/1067048613.db2.gz CMZNYTVNMVEZRN-MRXNPFEDSA-N 0 0 450.333 4.538 20 0 JJADRN Cc1nc([C@@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)c2ccc(Cl)cc2)no1 ZINC001458388813 1067048818 /nfs/dbraw/zinc/04/88/18/1067048818.db2.gz PYQRNBCUDAVTJY-IBGZPJMESA-N 0 0 459.731 4.724 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC001450085189 1067048820 /nfs/dbraw/zinc/04/88/20/1067048820.db2.gz YHVRSQACIIOAQD-HOYKHHGWSA-N 0 0 450.554 4.536 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC001450085192 1067048934 /nfs/dbraw/zinc/04/89/34/1067048934.db2.gz YHVRSQACIIOAQD-KOSHJBKYSA-N 0 0 450.554 4.536 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1CCCSCC(C)C)c1ccccc1 ZINC001545764377 1067049047 /nfs/dbraw/zinc/04/90/47/1067049047.db2.gz USOKWPVGJPPDET-SYVJQLTCSA-N 0 0 472.699 4.984 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC001458390974 1067049010 /nfs/dbraw/zinc/04/90/10/1067049010.db2.gz HHBKVKIWXOMESF-OAQYLSRUSA-N 0 0 452.624 4.769 20 0 JJADRN O=C(c1ccc(Cl)c(I)c1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001458390929 1067049028 /nfs/dbraw/zinc/04/90/28/1067049028.db2.gz ZLUNPFLTPGGDIM-UHFFFAOYSA-N 0 0 459.114 4.923 20 0 JJADRN O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001458389912 1067049211 /nfs/dbraw/zinc/04/92/11/1067049211.db2.gz XIWKBDQIAWVJEH-NRFANRHFSA-N 0 0 452.860 4.890 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)C2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545764425 1067049518 /nfs/dbraw/zinc/04/95/18/1067049518.db2.gz VMXYFPZUSRSCKK-FQEVSTJZSA-N 0 0 455.990 4.563 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)NCC1(Cc2ccccc2)CCCC1)C(=O)N1CCCC1 ZINC001458392954 1067049467 /nfs/dbraw/zinc/04/94/67/1067049467.db2.gz DDBZNURAYSMFFP-HXUWFJFHSA-N 0 0 451.636 4.718 20 0 JJADRN Cc1cnc(OC(C)C)c(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC001450108130 1067049696 /nfs/dbraw/zinc/04/96/96/1067049696.db2.gz GWBPXQYQAXGUEJ-UHFFFAOYSA-N 0 0 458.609 4.638 20 0 JJADRN Cc1cnc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC001450108060 1067049816 /nfs/dbraw/zinc/04/98/16/1067049816.db2.gz GQINAMYVNBPQPI-UHFFFAOYSA-N 0 0 453.564 4.847 20 0 JJADRN Cc1sc(NC(=O)c2ccc(N3CCNC3=O)cc2)nc1-c1ccc(Br)cc1 ZINC001545764840 1067049938 /nfs/dbraw/zinc/04/99/38/1067049938.db2.gz DWIPAXOQQDDSGT-UHFFFAOYSA-N 0 0 457.353 4.663 20 0 JJADRN CN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458393430 1067049965 /nfs/dbraw/zinc/04/99/65/1067049965.db2.gz KICDOQGTJDGEHD-YLJYHZDGSA-N 0 0 459.443 4.799 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)C2(CO)CCC2)cn1 ZINC001450112386 1067050093 /nfs/dbraw/zinc/05/00/93/1067050093.db2.gz MSIZYEVJOJMKJH-OAQYLSRUSA-N 0 0 459.974 4.998 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)c2nccs2)CCO1 ZINC001546100208 1067050460 /nfs/dbraw/zinc/05/04/60/1067050460.db2.gz VCYNCQHFLWZRHS-NTKDMRAZSA-N 0 0 455.628 4.739 20 0 JJADRN C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001458395879 1067050796 /nfs/dbraw/zinc/05/07/96/1067050796.db2.gz RBLTYOKLAVFESE-JSNMRZPZSA-N 0 0 457.489 4.801 20 0 JJADRN COC(=O)c1sc2nc(C)nc(Oc3ccc(I)c(C)c3)c2c1C ZINC001458395852 1067050879 /nfs/dbraw/zinc/05/08/79/1067050879.db2.gz AOWOGOFFCOWQSN-UHFFFAOYSA-N 0 0 454.289 4.800 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC001458398259 1067051399 /nfs/dbraw/zinc/05/13/99/1067051399.db2.gz OOCBMLYOMWVCJF-LJQANCHMSA-N 0 0 454.445 4.683 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398063 1067051450 /nfs/dbraw/zinc/05/14/50/1067051450.db2.gz WTQADQGFTUGKOV-UXHICEINSA-N 0 0 453.526 4.836 20 0 JJADRN CC[C@H](c1nnc(N2CCS[C@H](C(C)C)C2)n1CCCN1CCCCC1=O)c1ccccc1 ZINC001545766402 1067051488 /nfs/dbraw/zinc/05/14/88/1067051488.db2.gz ROVYLFZIHRKOMX-GOTSBHOMSA-N 0 0 469.699 4.800 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545766190 1067051596 /nfs/dbraw/zinc/05/15/96/1067051596.db2.gz NTYZJAGUDBURAC-NXHRZFHOSA-N 0 0 479.572 4.745 20 0 JJADRN CC[C@H](c1nnc(N2CCSC[C@@H]2C)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545766570 1067051930 /nfs/dbraw/zinc/05/19/30/1067051930.db2.gz VOLZUXISUFKUQY-ICSRJNTNSA-N 0 0 459.660 4.677 20 0 JJADRN CC[C@H](c1nnc(N2CCSCC2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545766509 1067051996 /nfs/dbraw/zinc/05/19/96/1067051996.db2.gz UATQJVUPCMTRFR-IBGZPJMESA-N 0 0 477.556 4.758 20 0 JJADRN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001458399885 1067052293 /nfs/dbraw/zinc/05/22/93/1067052293.db2.gz URNGDIFGJFGUQG-PBHICJAKSA-N 0 0 453.004 4.622 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545766650 1067052302 /nfs/dbraw/zinc/05/23/02/1067052302.db2.gz XDTOGIWUQJGWGV-SQGPQFPESA-N 0 0 457.669 4.974 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001545767260 1067052727 /nfs/dbraw/zinc/05/27/27/1067052727.db2.gz PXAQIONQMYODRR-HOTGVXAUSA-N 0 0 456.530 4.586 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1cccs1)NC(=O)OC(C)(C)C ZINC001545767589 1067052795 /nfs/dbraw/zinc/05/27/95/1067052795.db2.gz BIFRCWKLYFAHNY-QGZVFWFLSA-N 0 0 492.690 4.759 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001545767262 1067052904 /nfs/dbraw/zinc/05/29/04/1067052904.db2.gz PXAQIONQMYODRR-JKSUJKDBSA-N 0 0 456.530 4.586 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)NCC(C)(C)c2ccc(Br)cc2Cl)cc1C ZINC001450138720 1067052887 /nfs/dbraw/zinc/05/28/87/1067052887.db2.gz IYIPMHARDDAGQM-UHFFFAOYSA-N 0 0 451.792 4.543 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001450138921 1067052976 /nfs/dbraw/zinc/05/29/76/1067052976.db2.gz HSIZNSUXCGEYPY-WBMJQRKESA-N 0 0 457.374 4.974 20 0 JJADRN Cc1cc(N2CC[C@@H](Cc3cccc(I)c3)C2)nc(-c2ccccn2)n1 ZINC001458401933 1067053265 /nfs/dbraw/zinc/05/32/65/1067053265.db2.gz VPAAGWCTXASHOG-KRWDZBQOSA-N 0 0 456.331 4.521 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC1(S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001545767984 1067053359 /nfs/dbraw/zinc/05/33/59/1067053359.db2.gz KQCXJSQIUGFWIP-ZVDOUQERSA-N 0 0 494.652 4.905 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC001458405293 1067053621 /nfs/dbraw/zinc/05/36/21/1067053621.db2.gz KRYHQWKENJFPNF-HUUCEWRRSA-N 0 0 457.434 4.693 20 0 JJADRN C[C@@H]1CN(C(=O)CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145211 1067053966 /nfs/dbraw/zinc/05/39/66/1067053966.db2.gz LDEWACVCNYOXGP-QAPCUYQASA-N 0 0 456.505 4.689 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)CCOc1ccc(CCC(C)=O)cc1 ZINC001458406819 1067054051 /nfs/dbraw/zinc/05/40/51/1067054051.db2.gz PYNZNVAYKXFIFV-UHFFFAOYSA-N 0 0 458.356 4.748 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2CCc2sc(C)nc2C)CCO1 ZINC001546100329 1067054325 /nfs/dbraw/zinc/05/43/25/1067054325.db2.gz WZRLBTOIVFHDHE-VWLOTQADSA-N 0 0 453.656 4.775 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccnc(Cl)c1I ZINC001545768635 1067054530 /nfs/dbraw/zinc/05/45/30/1067054530.db2.gz ARUNUNSBTYFFJE-LBPRGKRZSA-N 0 0 458.727 4.755 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 ZINC001458409585 1067055108 /nfs/dbraw/zinc/05/51/08/1067055108.db2.gz ZLDLIHKXJLJXFN-UHFFFAOYSA-N 0 0 458.282 4.716 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001450154282 1067055102 /nfs/dbraw/zinc/05/51/02/1067055102.db2.gz UKCCKVPWNPOYNS-VBKZILBWSA-N 0 0 457.876 4.986 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c(F)ccc(I)c2Cl)[C@H](C)[C@H]1OC ZINC001458410916 1067055299 /nfs/dbraw/zinc/05/52/99/1067055299.db2.gz QLRHVULOVWDEAD-TZTCFGBESA-N 0 0 453.723 4.653 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(-c3ncccc3F)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450157844 1067055448 /nfs/dbraw/zinc/05/54/48/1067055448.db2.gz WMETZIXGCDJIKA-PXAZEXFGSA-N 0 0 451.445 4.965 20 0 JJADRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC001450157693 1067055542 /nfs/dbraw/zinc/05/55/42/1067055542.db2.gz NDZIDFHENRLGQW-OAHLLOKOSA-N 0 0 453.530 4.695 20 0 JJADRN CCOC(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)C1 ZINC001458413860 1067055733 /nfs/dbraw/zinc/05/57/33/1067055733.db2.gz CIGOHUJPVPERBT-FQEVSTJZSA-N 0 0 459.384 4.846 20 0 JJADRN CCC[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)OC ZINC001450158457 1067055765 /nfs/dbraw/zinc/05/57/65/1067055765.db2.gz WYQGWNDNFWUNFQ-OAQYLSRUSA-N 0 0 452.576 4.699 20 0 JJADRN CCOC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)C1 ZINC001458413862 1067055969 /nfs/dbraw/zinc/05/59/69/1067055969.db2.gz CIGOHUJPVPERBT-HXUWFJFHSA-N 0 0 459.384 4.846 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1)OC ZINC001545769970 1067055895 /nfs/dbraw/zinc/05/58/95/1067055895.db2.gz QOHUEJHSNXTOCG-SFHVURJKSA-N 0 0 484.670 4.615 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1ccc2ncc(I)n2c1 ZINC001545770379 1067056196 /nfs/dbraw/zinc/05/61/96/1067056196.db2.gz GGHNIASBIWMNKP-UHFFFAOYSA-N 0 0 454.699 4.667 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CCC ZINC001545770322 1067056225 /nfs/dbraw/zinc/05/62/25/1067056225.db2.gz DACCYQWMCYAMQX-UHFFFAOYSA-N 0 0 457.962 4.758 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 ZINC001450161898 1067056429 /nfs/dbraw/zinc/05/64/29/1067056429.db2.gz GRXKAONUKPTNEM-CLOONOSVSA-N 0 0 458.533 4.847 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@H]2C(C)C)CCO1 ZINC001546100441 1067056430 /nfs/dbraw/zinc/05/64/30/1067056430.db2.gz ZGAYRFGMDCIZMX-LJGDZFJRSA-N 0 0 456.631 4.540 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)OC)CC1)OC ZINC001545770961 1067056556 /nfs/dbraw/zinc/05/65/56/1067056556.db2.gz AROYCMATSOOEAB-QGZVFWFLSA-N 0 0 479.021 4.666 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC001545770847 1067056572 /nfs/dbraw/zinc/05/65/72/1067056572.db2.gz XEGWBBMZRXECRW-UHFFFAOYSA-N 0 0 455.870 4.675 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1)NC(=O)OC(C)(C)C ZINC001545770973 1067056626 /nfs/dbraw/zinc/05/66/26/1067056626.db2.gz BAAUCCJXSOZBMO-IBGZPJMESA-N 0 0 481.645 4.930 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC001458419341 1067056694 /nfs/dbraw/zinc/05/66/94/1067056694.db2.gz BTOCFKAWLTXJSE-MRXNPFEDSA-N 0 0 455.605 4.807 20 0 JJADRN CCCNc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001545770867 1067056745 /nfs/dbraw/zinc/05/67/45/1067056745.db2.gz XUXZUJJYXSQATA-UHFFFAOYSA-N 0 0 457.983 4.893 20 0 JJADRN COc1cc(I)ccc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC001450168717 1067056978 /nfs/dbraw/zinc/05/69/78/1067056978.db2.gz CHUKZQUXEVYXSM-NSHDSACASA-N 0 0 457.695 4.801 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC ZINC001545771036 1067057163 /nfs/dbraw/zinc/05/71/63/1067057163.db2.gz DAYUZIDVZRSFCC-WNCULLNHSA-N 0 0 499.700 4.541 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1=O ZINC001458422261 1067057229 /nfs/dbraw/zinc/05/72/29/1067057229.db2.gz QOBPNQATYSYOLQ-WBVHZDCISA-N 0 0 450.564 4.719 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)c1cccc(C)c1)OC ZINC001545771248 1067057657 /nfs/dbraw/zinc/05/76/57/1067057657.db2.gz JSDQZEPIXSPQDI-UHFFFAOYSA-N 0 0 484.670 4.828 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001458424106 1067057483 /nfs/dbraw/zinc/05/74/83/1067057483.db2.gz PXOHIPDNNTUFLT-LBPRGKRZSA-N 0 0 451.272 4.973 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)c(OC)c1 ZINC001450185109 1067057925 /nfs/dbraw/zinc/05/79/25/1067057925.db2.gz VBVTWYKIZWHVSK-OALUTQOASA-N 0 0 452.576 4.724 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 ZINC001458427593 1067057868 /nfs/dbraw/zinc/05/78/68/1067057868.db2.gz QPVCEJMTPHBZIA-UHFFFAOYSA-N 0 0 452.370 4.900 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1)OC ZINC001545771286 1067058123 /nfs/dbraw/zinc/05/81/23/1067058123.db2.gz KRHSLMPMBJYFLZ-PZJWPPBQSA-N 0 0 474.621 4.894 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccccn1)OC ZINC001545771370 1067058306 /nfs/dbraw/zinc/05/83/06/1067058306.db2.gz NILQCJUURZEMAU-UHFFFAOYSA-N 0 0 458.404 4.944 20 0 JJADRN CN(C[C@@H](O)c1cccc(Br)c1)c1ccc(Br)c(C(F)(F)F)n1 ZINC001458429638 1067058427 /nfs/dbraw/zinc/05/84/27/1067058427.db2.gz MTJUPKYLMQPFEX-GFCCVEGCSA-N 0 0 454.084 4.795 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NC3(c4ccc(F)cc4F)CCOCC3)cc2s1 ZINC001458429017 1067058520 /nfs/dbraw/zinc/05/85/20/1067058520.db2.gz USKMFHWDWLYTOU-UHFFFAOYSA-N 0 0 451.564 4.918 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)CC2)cc1 ZINC001450196896 1067058828 /nfs/dbraw/zinc/05/88/28/1067058828.db2.gz LXWXOSSRPJYEMB-HXUWFJFHSA-N 0 0 456.391 4.999 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N(Cc1cccs1)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545771550 1067058826 /nfs/dbraw/zinc/05/88/26/1067058826.db2.gz SDXKKEPUNKHSJM-LJQANCHMSA-N 0 0 477.675 4.917 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1)OC ZINC001545771686 1067059623 /nfs/dbraw/zinc/05/96/23/1067059623.db2.gz XBWAJPLQUFHEGK-CZTZKLFOSA-N 0 0 460.594 4.910 20 0 JJADRN COc1cccc(/C=C(\CC(=O)N2CCC(F)(F)[C@H](CO)C2)c2nc3ccccc3s2)c1 ZINC001450201944 1067059645 /nfs/dbraw/zinc/05/96/45/1067059645.db2.gz WYLAQGBQJAOANS-RLGUWMIQSA-N 0 0 458.530 4.712 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458436791 1067059746 /nfs/dbraw/zinc/05/97/46/1067059746.db2.gz OLLBNWGGLBLWEI-KPZWWZAWSA-N 0 0 457.810 4.909 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)OC ZINC001545771735 1067059847 /nfs/dbraw/zinc/05/98/47/1067059847.db2.gz YMDIZTQXNTYANC-IBGZPJMESA-N 0 0 460.594 4.912 20 0 JJADRN CC[C@H](OC(=O)c1cc(OC)c(OC)cc1I)c1cccc(OC)c1 ZINC001458438004 1067060143 /nfs/dbraw/zinc/06/01/43/1067060143.db2.gz UBJWJFGCQTYTEK-INIZCTEOSA-N 0 0 456.276 4.625 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1)SC ZINC001545771739 1067060299 /nfs/dbraw/zinc/06/02/99/1067060299.db2.gz YMYMXYMGKBPCOW-HXUWFJFHSA-N 0 0 487.714 4.919 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1)SC ZINC001545771738 1067060314 /nfs/dbraw/zinc/06/03/14/1067060314.db2.gz YMYMXYMGKBPCOW-FQEVSTJZSA-N 0 0 487.714 4.919 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1nncn1C)OC ZINC001545771770 1067060359 /nfs/dbraw/zinc/06/03/59/1067060359.db2.gz ZGPLRPOSTKGZGT-RTWAWAEBSA-N 0 0 481.645 4.710 20 0 JJADRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450202220 1067060254 /nfs/dbraw/zinc/06/02/54/1067060254.db2.gz UHGFLZPOQAZBPI-PKOBYXMFSA-N 0 0 455.640 4.660 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCc2oc(C(C)C)nc2C)s1 ZINC001450213071 1067060654 /nfs/dbraw/zinc/06/06/54/1067060654.db2.gz ZGDCRBINPRVJIM-UHFFFAOYSA-N 0 0 450.358 4.931 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1)OC ZINC001545772519 1067060656 /nfs/dbraw/zinc/06/06/56/1067060656.db2.gz CMJSADXVSKBMKN-KRWDZBQOSA-N 0 0 477.447 4.918 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)OC ZINC001545772453 1067060772 /nfs/dbraw/zinc/06/07/72/1067060772.db2.gz BARWVSNQHBAJFK-FQEVSTJZSA-N 0 0 481.641 4.885 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458440269 1067061127 /nfs/dbraw/zinc/06/11/27/1067061127.db2.gz FLMQAXUIEZCZND-WMLDXEAASA-N 0 0 452.045 4.963 20 0 JJADRN Cc1c(Br)ccc(O)c1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001450225390 1067061306 /nfs/dbraw/zinc/06/13/06/1067061306.db2.gz IQAPZCKRWFOMRY-UHFFFAOYSA-N 0 0 453.086 4.584 20 0 JJADRN Cc1cnc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c(Br)c1 ZINC001458442255 1067061515 /nfs/dbraw/zinc/06/15/15/1067061515.db2.gz OCYGEMRPDXZWTH-INIZCTEOSA-N 0 0 453.178 4.691 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccc1O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450228598 1067061427 /nfs/dbraw/zinc/06/14/27/1067061427.db2.gz HQOOPBHPRBUABZ-GOSISDBHSA-N 0 0 455.308 4.636 20 0 JJADRN CC(C)OCCCCNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001546100756 1067061955 /nfs/dbraw/zinc/06/19/55/1067061955.db2.gz IRMUKYHTNBRCNW-VWLOTQADSA-N 0 0 450.579 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC001546100803 1067062251 /nfs/dbraw/zinc/06/22/51/1067062251.db2.gz JTWKVJGMZLCIIS-AREMUKBSSA-N 0 0 451.567 4.706 20 0 JJADRN Cn1c(Cl)cnc1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001450235876 1067062532 /nfs/dbraw/zinc/06/25/32/1067062532.db2.gz KKIIVOKUPWGHBE-UHFFFAOYSA-N 0 0 452.773 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC12CCC2 ZINC001450235267 1067062545 /nfs/dbraw/zinc/06/25/45/1067062545.db2.gz ILHZJRDPXFHKFY-IBGZPJMESA-N 0 0 458.990 4.637 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1)SC ZINC001545772933 1067062670 /nfs/dbraw/zinc/06/26/70/1067062670.db2.gz REJXVZJMDNZYMB-KGLIPLIRSA-N 0 0 473.506 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC12CCC2 ZINC001450242525 1067063327 /nfs/dbraw/zinc/06/33/27/1067063327.db2.gz VEVQFSYQWCDWEE-CYBMUJFWSA-N 0 0 450.992 4.844 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC001450245109 1067063824 /nfs/dbraw/zinc/06/38/24/1067063824.db2.gz HDZJGPWUGJIUOD-CJAUYULYSA-N 0 0 450.604 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)C1 ZINC001450247220 1067064134 /nfs/dbraw/zinc/06/41/34/1067064134.db2.gz CCXBPIQPILRJMK-FGZHOGPDSA-N 0 0 456.627 4.621 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)SC ZINC001545774003 1067064431 /nfs/dbraw/zinc/06/44/31/1067064431.db2.gz AQUYBGWPURQHCY-UHFFFAOYSA-N 0 0 476.090 4.969 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)SC ZINC001545774058 1067064735 /nfs/dbraw/zinc/06/47/35/1067064735.db2.gz CIHRUFALMLQLTM-QHCPKHFHSA-N 0 0 478.106 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C2)C1 ZINC001450256270 1067064745 /nfs/dbraw/zinc/06/47/45/1067064745.db2.gz LYCIVUDEJBAETR-CJRSTVEYSA-N 0 0 456.627 4.692 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)c1 ZINC001450254231 1067064970 /nfs/dbraw/zinc/06/49/70/1067064970.db2.gz JNJPNAGGWNRILM-QGZVFWFLSA-N 0 0 452.555 4.877 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)C(=O)c2nc(Br)ccc2Br)cc1 ZINC001458451202 1067065255 /nfs/dbraw/zinc/06/52/55/1067065255.db2.gz CFCWNSJQNVDXTL-GFCCVEGCSA-N 0 0 456.178 4.566 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)CCC2 ZINC001458450675 1067065315 /nfs/dbraw/zinc/06/53/15/1067065315.db2.gz WVWBVGXYRZGRNQ-QGZVFWFLSA-N 0 0 450.848 4.756 20 0 JJADRN CCNc1ncc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001450259432 1067065402 /nfs/dbraw/zinc/06/54/02/1067065402.db2.gz QIMNEFRQUQOLAJ-DLBZAZTESA-N 0 0 451.011 4.666 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)OC ZINC001545774230 1067065689 /nfs/dbraw/zinc/06/56/89/1067065689.db2.gz HTPVMZAMNACIQR-INIZCTEOSA-N 0 0 494.467 4.952 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451560 1067065707 /nfs/dbraw/zinc/06/57/07/1067065707.db2.gz HOOAKNDMGGOFIZ-SFTDATJTSA-N 0 0 450.957 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cc(CCc3ccccc3)ccc2O)C1 ZINC001546100867 1067065975 /nfs/dbraw/zinc/06/59/75/1067065975.db2.gz MKFPRNKPYSBAQM-MHZLTWQESA-N 0 0 452.595 4.944 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)SC ZINC001545774277 1067066114 /nfs/dbraw/zinc/06/61/14/1067066114.db2.gz JXDGDAFGMVQWJG-NRFANRHFSA-N 0 0 489.089 4.931 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)SC ZINC001545774326 1067066161 /nfs/dbraw/zinc/06/61/61/1067066161.db2.gz LHVYBKAZLYUYLH-QGZVFWFLSA-N 0 0 482.069 4.964 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCC[C@@H]([C@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2)cn1 ZINC001450262859 1067066056 /nfs/dbraw/zinc/06/60/56/1067066056.db2.gz XUVKOAPBGDFIRO-YADHBBJMSA-N 0 0 452.599 4.586 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450262961 1067066194 /nfs/dbraw/zinc/06/61/94/1067066194.db2.gz YPXGBOWXVAMEGD-OALUTQOASA-N 0 0 454.571 4.544 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450263270 1067066204 /nfs/dbraw/zinc/06/62/04/1067066204.db2.gz ZHSBLKXFDVSUAI-LEWJYISDSA-N 0 0 452.599 4.680 20 0 JJADRN COc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001458452150 1067066348 /nfs/dbraw/zinc/06/63/48/1067066348.db2.gz BSPWURZHNHRTSO-UHFFFAOYSA-N 0 0 456.608 4.691 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)OC ZINC001545774368 1067066496 /nfs/dbraw/zinc/06/64/96/1067066496.db2.gz MYOBRNWAJQSBOX-IAGOWNOFSA-N 0 0 465.436 4.835 20 0 JJADRN CCOC(=O)c1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)ccc1Br ZINC001458453454 1067066531 /nfs/dbraw/zinc/06/65/31/1067066531.db2.gz FBNACEZPGADANB-DLBZAZTESA-N 0 0 475.383 4.583 20 0 JJADRN CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC001458452950 1067066773 /nfs/dbraw/zinc/06/67/73/1067066773.db2.gz KMWAQDOILDFIIZ-VXKWHMMOSA-N 0 0 451.394 4.974 20 0 JJADRN C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001450273850 1067067360 /nfs/dbraw/zinc/06/73/60/1067067360.db2.gz RCCZRENAELICGH-IBGZPJMESA-N 0 0 458.514 4.916 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](OC)[C@@H](OC)C1)SC ZINC001545774623 1067067939 /nfs/dbraw/zinc/06/79/39/1067067939.db2.gz VYSYCICAAPZUTR-HDICACEKSA-N 0 0 457.015 4.509 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC001458456060 1067068126 /nfs/dbraw/zinc/06/81/26/1067068126.db2.gz LTXAHCOZOOEANY-GOSISDBHSA-N 0 0 457.477 4.502 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)OC ZINC001545774732 1067068295 /nfs/dbraw/zinc/06/82/95/1067068295.db2.gz ZICVZRNJAAMLDP-SFHVURJKSA-N 0 0 474.627 4.653 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cnn1-c1cccc(Br)c1 ZINC001458459232 1067068343 /nfs/dbraw/zinc/06/83/43/1067068343.db2.gz CIMCZIQOPKIEOC-KRWDZBQOSA-N 0 0 459.775 4.605 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1coc(-c2cccnc2)n1 ZINC001458459070 1067068355 /nfs/dbraw/zinc/06/83/55/1067068355.db2.gz BAGRRLUONNBHKH-UHFFFAOYSA-N 0 0 457.111 4.615 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN(C(=O)C2CC2)CC1(C)C ZINC001458462335 1067068843 /nfs/dbraw/zinc/06/88/43/1067068843.db2.gz MMEYSJNXTJLQOE-UHFFFAOYSA-N 0 0 451.514 4.610 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)nnc1-c1ccco1 ZINC001450280548 1067068753 /nfs/dbraw/zinc/06/87/53/1067068753.db2.gz WLLAAFWNIDTPIM-SNVBAGLBSA-N 0 0 459.881 4.595 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)CC1)SC ZINC001545775672 1067068959 /nfs/dbraw/zinc/06/89/59/1067068959.db2.gz GSCSULOEUJSZFF-UHFFFAOYSA-N 0 0 471.593 4.560 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545775670 1067068977 /nfs/dbraw/zinc/06/89/77/1067068977.db2.gz GPAZGLCRQBXKPI-HXUWFJFHSA-N 0 0 471.646 4.810 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)OC ZINC001545775700 1067069164 /nfs/dbraw/zinc/06/91/64/1067069164.db2.gz HYHLAFJEFXRTCZ-OXQOHEQNSA-N 0 0 477.531 4.855 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1)Oc1ccccc1F ZINC001546021018 1067069058 /nfs/dbraw/zinc/06/90/58/1067069058.db2.gz WMCZASBAAKDCNY-VAWZGJIGSA-N 0 0 492.661 4.721 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc1 ZINC001546021375 1067069072 /nfs/dbraw/zinc/06/90/72/1067069072.db2.gz GMGDMEKGAUEYAP-PKTZIBPZSA-N 0 0 453.583 4.866 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OC(C)C)CC1)SC ZINC001545775807 1067069347 /nfs/dbraw/zinc/06/93/47/1067069347.db2.gz LEYBOCVSVLCEID-UHFFFAOYSA-N 0 0 460.644 4.989 20 0 JJADRN Cn1c2ccc(NC(=O)c3ccc(I)cc3Cl)cc2nc1C1CC1 ZINC001458467226 1067069690 /nfs/dbraw/zinc/06/96/90/1067069690.db2.gz JWZBWJQEGREVDR-UHFFFAOYSA-N 0 0 451.695 4.961 20 0 JJADRN COc1ccc(CCNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)c(Cl)c1OC ZINC001450298963 1067070047 /nfs/dbraw/zinc/07/00/47/1067070047.db2.gz BASCEZIJBMFZNF-UHFFFAOYSA-N 0 0 451.748 4.882 20 0 JJADRN CCOC(=O)c1cnc(N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)s1 ZINC001458468637 1067070041 /nfs/dbraw/zinc/07/00/41/1067070041.db2.gz MJCXMSKZRZCJGA-UHFFFAOYSA-N 0 0 457.983 4.879 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458468852 1067070083 /nfs/dbraw/zinc/07/00/83/1067070083.db2.gz FGSVWJSMXQKITK-LSDHHAIUSA-N 0 0 458.274 4.775 20 0 JJADRN O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001546021489 1067070174 /nfs/dbraw/zinc/07/01/74/1067070174.db2.gz IHJMOAJULHNNJL-GCJKJVERSA-N 0 0 458.484 4.795 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)NC[C@@H](O)Cc3cccc(F)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001450301191 1067070378 /nfs/dbraw/zinc/07/03/78/1067070378.db2.gz SKGSSOVBJIBKMT-VWLOTQADSA-N 0 0 457.549 4.688 20 0 JJADRN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC[C@H]4CCCN(CC(F)(F)F)C4)cc3)o2)c1 ZINC001450306696 1067070537 /nfs/dbraw/zinc/07/05/37/1067070537.db2.gz MVXKCTZZPSPNEB-QGZVFWFLSA-N 0 0 458.484 4.716 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001450304314 1067070619 /nfs/dbraw/zinc/07/06/19/1067070619.db2.gz KXTWTFKRAQSRFC-GFCCVEGCSA-N 0 0 450.288 4.961 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001450306488 1067070655 /nfs/dbraw/zinc/07/06/55/1067070655.db2.gz KJGMCFYDOBWZME-KRWDZBQOSA-N 0 0 459.409 4.839 20 0 JJADRN O=C(C[C@@H]1CCC2(CCC2)CO1)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458471253 1067070657 /nfs/dbraw/zinc/07/06/57/1067070657.db2.gz QVNZQURFUJMUAN-AWEZNQCLSA-N 0 0 450.295 4.702 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)OC ZINC001545776196 1067070853 /nfs/dbraw/zinc/07/08/53/1067070853.db2.gz ZGQFCUKMARRGHA-SFHVURJKSA-N 0 0 490.574 4.771 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1Cc2cncnc2C1)Nc1cc(Cl)cc(Cl)c1 ZINC001450311554 1067070858 /nfs/dbraw/zinc/07/08/58/1067070858.db2.gz HTHNKYLQXPAEQZ-UHFFFAOYSA-N 0 0 459.358 4.670 20 0 JJADRN COc1cc(Cl)ccc1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458471933 1067071060 /nfs/dbraw/zinc/07/10/60/1067071060.db2.gz VYTDPTMIBHWJIU-UHFFFAOYSA-N 0 0 452.654 4.939 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1)SC ZINC001545777448 1067071104 /nfs/dbraw/zinc/07/11/04/1067071104.db2.gz ALKGNSXVAMUDIE-NRFANRHFSA-N 0 0 494.709 4.852 20 0 JJADRN Cc1c2nnc(C(F)(F)F)n2nc(N[C@H]2CSCc3ccc(Br)cc32)c1C ZINC001458473141 1067071223 /nfs/dbraw/zinc/07/12/23/1067071223.db2.gz HMTAXUSIOMPTFC-ZDUSSCGKSA-N 0 0 458.307 4.922 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC001450336905 1067071362 /nfs/dbraw/zinc/07/13/62/1067071362.db2.gz OQSNKJINJODJTH-UHFFFAOYSA-N 0 0 456.359 4.863 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1ccc2c(c1)CCC2 ZINC001458476681 1067071344 /nfs/dbraw/zinc/07/13/44/1067071344.db2.gz QIDHYKFNACZULM-YDIMBITNSA-N 0 0 452.595 4.851 20 0 JJADRN CN(C)c1cc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)cc(Cl)n1 ZINC001458476147 1067071358 /nfs/dbraw/zinc/07/13/58/1067071358.db2.gz LDTOROVRBGCULC-UHFFFAOYSA-N 0 0 455.893 4.910 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001450334743 1067071469 /nfs/dbraw/zinc/07/14/69/1067071469.db2.gz KZDATPAQNJXPIG-VWNXMTODSA-N 0 0 452.396 4.970 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cscc1Br ZINC001450331414 1067071502 /nfs/dbraw/zinc/07/15/02/1067071502.db2.gz YVIBVUBCUIBMIY-CQSZACIVSA-N 0 0 451.289 4.899 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001450334738 1067071600 /nfs/dbraw/zinc/07/16/00/1067071600.db2.gz KZDATPAQNJXPIG-LADGPHEKSA-N 0 0 452.396 4.970 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)OC ZINC001545777590 1067071452 /nfs/dbraw/zinc/07/14/52/1067071452.db2.gz GUUQCUGUKPBONZ-NRFANRHFSA-N 0 0 489.567 4.668 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)SC ZINC001545777585 1067071595 /nfs/dbraw/zinc/07/15/95/1067071595.db2.gz GOOKXRIHTDFSTI-IBGZPJMESA-N 0 0 488.702 4.955 20 0 JJADRN CC(C)Oc1cccc(CN(C)C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c1 ZINC001458476914 1067071942 /nfs/dbraw/zinc/07/19/42/1067071942.db2.gz NWNWVDUTZJCVHE-KQWNVCNZSA-N 0 0 459.575 4.846 20 0 JJADRN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001450342430 1067071910 /nfs/dbraw/zinc/07/19/10/1067071910.db2.gz GFEMEMNXQJYYHI-INIZCTEOSA-N 0 0 455.139 4.609 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC001450347385 1067072359 /nfs/dbraw/zinc/07/23/59/1067072359.db2.gz PLQLQXLKCYLCMS-KRWDZBQOSA-N 0 0 455.338 4.812 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2cc(OCC)nc(C)n2)cc1 ZINC001458479614 1067072403 /nfs/dbraw/zinc/07/24/03/1067072403.db2.gz RFZLTLACIXZODJ-SFTDATJTSA-N 0 0 456.587 4.788 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)nc2)cc1 ZINC001458478628 1067072428 /nfs/dbraw/zinc/07/24/28/1067072428.db2.gz GTLPQWXKRBAWAZ-OAQYLSRUSA-N 0 0 455.436 4.514 20 0 JJADRN Cc1nc([C@@H](NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c2cnn(C)c2)no1 ZINC001450346315 1067072441 /nfs/dbraw/zinc/07/24/41/1067072441.db2.gz DPURPEDTFHQRAR-QHCPKHFHSA-N 0 0 459.550 4.507 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)SC ZINC001545777789 1067072444 /nfs/dbraw/zinc/07/24/44/1067072444.db2.gz MPRPTAIFSHREJO-UHFFFAOYSA-N 0 0 496.656 4.754 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)SC ZINC001545777986 1067072744 /nfs/dbraw/zinc/07/27/44/1067072744.db2.gz SSKNQLKGERBAPW-GHTZIAJQSA-N 0 0 478.106 4.677 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC001458481233 1067073294 /nfs/dbraw/zinc/07/32/94/1067073294.db2.gz WKEICAFMTYPJES-RMIWUYOTSA-N 0 0 454.448 4.580 20 0 JJADRN COc1cc(NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc2cccnc21 ZINC001450363866 1067073675 /nfs/dbraw/zinc/07/36/75/1067073675.db2.gz XAFUGNDJRZEZJN-UHFFFAOYSA-N 0 0 452.511 4.598 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)SC ZINC001545779101 1067073659 /nfs/dbraw/zinc/07/36/59/1067073659.db2.gz CSOOCSMLDCHTCM-IBGZPJMESA-N 0 0 472.703 4.670 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)c1ccc(F)cc1F ZINC001545778837 1067073737 /nfs/dbraw/zinc/07/37/37/1067073737.db2.gz UDGOFQQOOMTVAR-KRWDZBQOSA-N 0 0 450.283 4.705 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccnc(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493044 1067073962 /nfs/dbraw/zinc/07/39/62/1067073962.db2.gz UWANLVMLCDPDQB-ATIYNZHBSA-N 0 0 458.562 4.588 20 0 JJADRN CN(C)C(=O)c1cccc(C(=O)N(Cc2ccc3ccccc3n2)c2ccc(N(C)C)cc2)c1 ZINC001458489693 1067074084 /nfs/dbraw/zinc/07/40/84/1067074084.db2.gz HZOSZHCSUOXAOS-UHFFFAOYSA-N 0 0 452.558 4.850 20 0 JJADRN CCc1nc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nn1-c1ccccc1Cl ZINC001546022227 1067074283 /nfs/dbraw/zinc/07/42/83/1067074283.db2.gz ZSYSUVOUJZCVCM-DENIHFKCSA-N 0 0 452.986 4.992 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N(C)CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001545779237 1067074201 /nfs/dbraw/zinc/07/42/01/1067074201.db2.gz HOZLGESQBKHGCT-UHFFFAOYSA-N 0 0 473.666 4.779 20 0 JJADRN COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccnc(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493062 1067074415 /nfs/dbraw/zinc/07/44/15/1067074415.db2.gz UWANLVMLCDPDQB-GJZUVCINSA-N 0 0 458.562 4.588 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1)SC ZINC001545779545 1067074428 /nfs/dbraw/zinc/07/44/28/1067074428.db2.gz RMPMRAALDWBTIP-UHFFFAOYSA-N 0 0 494.709 4.867 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001546022418 1067074496 /nfs/dbraw/zinc/07/44/96/1067074496.db2.gz FEBHCWHOBIVLCR-HNNXBMFYSA-N 0 0 478.460 4.955 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCSC[C@H]1C ZINC001546022383 1067074514 /nfs/dbraw/zinc/07/45/14/1067074514.db2.gz DPRDKJZSRRRWSM-MRXNPFEDSA-N 0 0 457.669 4.870 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)cc2C1 ZINC001450381220 1067074624 /nfs/dbraw/zinc/07/46/24/1067074624.db2.gz PGZVONSVSXETDV-ZDUSSCGKSA-N 0 0 455.356 4.717 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545779726 1067075033 /nfs/dbraw/zinc/07/50/33/1067075033.db2.gz YSNMWSQAYLLYNM-IRXDYDNUSA-N 0 0 462.664 4.687 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)cc1OC ZINC001458498524 1067075429 /nfs/dbraw/zinc/07/54/29/1067075429.db2.gz GFNHSTGBYVVJLQ-UHFFFAOYSA-N 0 0 457.914 4.670 20 0 JJADRN COc1ccccc1[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccccn1 ZINC001458499458 1067075449 /nfs/dbraw/zinc/07/54/49/1067075449.db2.gz KANRKAQHSXHWAF-SANMLTNESA-N 0 0 459.571 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1ccc(OCc3ccccc3)cn1)CC2 ZINC001450387502 1067075351 /nfs/dbraw/zinc/07/53/51/1067075351.db2.gz QTMIBLRSRKTHBL-UHFFFAOYSA-N 0 0 451.567 4.524 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450396610 1067075722 /nfs/dbraw/zinc/07/57/22/1067075722.db2.gz BREILGRIORHJBS-PMACEKPBSA-N 0 0 454.533 4.811 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545780677 1067075938 /nfs/dbraw/zinc/07/59/38/1067075938.db2.gz DFVUHPPNMORYDN-MRXNPFEDSA-N 0 0 497.566 4.597 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001546022506 1067076296 /nfs/dbraw/zinc/07/62/96/1067076296.db2.gz GXAKYULOVRONSH-DYESRHJHSA-N 0 0 473.021 4.698 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCOC1)SC ZINC001545780867 1067076276 /nfs/dbraw/zinc/07/62/76/1067076276.db2.gz LQVMJLNCLYKWQJ-HXUWFJFHSA-N 0 0 468.671 4.915 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)Cc1cscn1)OC ZINC001545780808 1067076379 /nfs/dbraw/zinc/07/63/79/1067076379.db2.gz JCAXWFYIJKWXQA-UHFFFAOYSA-N 0 0 495.653 4.534 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCOC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545780725 1067076442 /nfs/dbraw/zinc/07/64/42/1067076442.db2.gz FWXGHHZXIXPJIH-UHFFFAOYSA-N 0 0 498.672 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001450405377 1067077106 /nfs/dbraw/zinc/07/71/06/1067077106.db2.gz GFFZKADDBJKSOO-VERUCKTNSA-N 0 0 452.517 4.846 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2ccnn2C)C1)SC ZINC001545781026 1067077113 /nfs/dbraw/zinc/07/71/13/1067077113.db2.gz QNKOMDTXAKLGRE-LJQANCHMSA-N 0 0 453.660 4.688 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1nccs1)NC(=O)OC(C)(C)C ZINC001545781050 1067077142 /nfs/dbraw/zinc/07/71/42/1067077142.db2.gz REDBKNDZERZFQZ-UHFFFAOYSA-N 0 0 499.685 4.867 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1)SC ZINC001545782004 1067077484 /nfs/dbraw/zinc/07/74/84/1067077484.db2.gz AUAHKTTVJGYLHA-RBUKOAKNSA-N 0 0 496.052 4.521 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1)SC ZINC001545782003 1067077617 /nfs/dbraw/zinc/07/76/17/1067077617.db2.gz AUAHKTTVJGYLHA-OALUTQOASA-N 0 0 496.052 4.521 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545782009 1067077938 /nfs/dbraw/zinc/07/79/38/1067077938.db2.gz AYKZSMCAGXEYBK-UHFFFAOYSA-N 0 0 468.646 4.566 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1C)NC(=O)OC(C)(C)C ZINC001545782193 1067078038 /nfs/dbraw/zinc/07/80/38/1067078038.db2.gz HBXFRXNMRVBLRF-CTNGQTDRSA-N 0 0 498.672 4.819 20 0 JJADRN COc1ccc2c(c1)c(C(=O)Nc1cc(C)n(CCCOc3ccc(F)cc3)n1)c(C)n2C ZINC001458507165 1067078174 /nfs/dbraw/zinc/07/81/74/1067078174.db2.gz SEVNUWPLXOUWEX-UHFFFAOYSA-N 0 0 450.514 4.861 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1OCc1ccccc1 ZINC001458508228 1067078291 /nfs/dbraw/zinc/07/82/91/1067078291.db2.gz RWXCIVGQSOJJRS-MOPGFXCFSA-N 0 0 455.551 4.692 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)SC ZINC001545783786 1067078709 /nfs/dbraw/zinc/07/87/09/1067078709.db2.gz BXINAFPZXAIWRJ-GOSISDBHSA-N 0 0 494.652 4.860 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001450417714 1067079054 /nfs/dbraw/zinc/07/90/54/1067079054.db2.gz UFMHJYNFHZOHGV-GGAORHGYSA-N 0 0 452.378 4.788 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)OC ZINC001545783825 1067079099 /nfs/dbraw/zinc/07/90/99/1067079099.db2.gz DAKBQIOOSSWZGK-ZCNNSNEGSA-N 0 0 463.667 4.690 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)c2ccsc2)CCO1 ZINC001546101589 1067079097 /nfs/dbraw/zinc/07/90/97/1067079097.db2.gz GQOPSQFTTATUOF-BJKOFHAPSA-N 0 0 488.679 4.554 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC001458515518 1067079154 /nfs/dbraw/zinc/07/91/54/1067079154.db2.gz DLCXMEFPGKONHI-GOSISDBHSA-N 0 0 456.512 4.810 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C)SC ZINC001545783819 1067079229 /nfs/dbraw/zinc/07/92/29/1067079229.db2.gz CZZVUCHMIJDFIR-OALUTQOASA-N 0 0 481.707 4.540 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@H]1CSC)NC(=O)OC(C)(C)C ZINC001545784107 1067079446 /nfs/dbraw/zinc/07/94/46/1067079446.db2.gz KVQHWHQMWRKKFD-SFHVURJKSA-N 0 0 451.681 4.961 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450420765 1067079736 /nfs/dbraw/zinc/07/97/36/1067079736.db2.gz ZTVLHFHJSNOXLJ-NRFANRHFSA-N 0 0 454.311 4.508 20 0 JJADRN COc1ccccc1-c1ccnc(C2CCN(c3nc(C)nc(C)c3Br)CC2)n1 ZINC001458520252 1067079767 /nfs/dbraw/zinc/07/97/67/1067079767.db2.gz XJQDHEOUXALWLQ-UHFFFAOYSA-N 0 0 454.372 4.706 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC001458519944 1067079836 /nfs/dbraw/zinc/07/98/36/1067079836.db2.gz MNHLIOGWXLBYJY-UHFFFAOYSA-N 0 0 451.324 4.585 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC(F)(c4ccccc4F)C3)ccc2C)cc1 ZINC001450425335 1067079907 /nfs/dbraw/zinc/07/99/07/1067079907.db2.gz SSPUXZWOUOWLNF-UHFFFAOYSA-N 0 0 456.514 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC001450421934 1067080103 /nfs/dbraw/zinc/08/01/03/1067080103.db2.gz ZDLVDNQKNSMIKP-HKUYNNGSSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545784180 1067080080 /nfs/dbraw/zinc/08/00/80/1067080080.db2.gz MRBQFTOAFWORBW-SFHVURJKSA-N 0 0 451.656 4.738 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545784179 1067080149 /nfs/dbraw/zinc/08/01/49/1067080149.db2.gz MRBQFTOAFWORBW-GOSISDBHSA-N 0 0 451.656 4.738 20 0 JJADRN Cc1nc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)nn1-c1c(Cl)cccc1Cl ZINC001458521889 1067080003 /nfs/dbraw/zinc/08/00/03/1067080003.db2.gz JXUWFDDYLMCXPC-IBGZPJMESA-N 0 0 456.308 4.936 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(COc2cccc(Br)c2)o1 ZINC001458523348 1067080172 /nfs/dbraw/zinc/08/01/72/1067080172.db2.gz UWLSOKVYCSRPEY-NJAFHUGGSA-N 0 0 454.411 4.731 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(COc2cccc(Br)c2)o1 ZINC001458523350 1067080306 /nfs/dbraw/zinc/08/03/06/1067080306.db2.gz UWLSOKVYCSRPEY-NXHRZFHOSA-N 0 0 454.411 4.731 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)OCc3cccc(Br)c3C)CCCC2)cc1 ZINC001458522878 1067080376 /nfs/dbraw/zinc/08/03/76/1067080376.db2.gz SJWHYCSLAIHRIO-UHFFFAOYSA-N 0 0 451.382 4.896 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCSC)CCO1 ZINC001546101669 1067080405 /nfs/dbraw/zinc/08/04/05/1067080405.db2.gz IKYMQBJSVXONHF-CYFREDJKSA-N 0 0 481.707 4.889 20 0 JJADRN O=C(c1ccccc1NCCc1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450437276 1067080419 /nfs/dbraw/zinc/08/04/19/1067080419.db2.gz PULGVZDVXZIOMD-OZXSUGGESA-N 0 0 452.957 4.935 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)=C(Br)C1)SC ZINC001545784598 1067081334 /nfs/dbraw/zinc/08/13/34/1067081334.db2.gz WQHPKUHQNRXOHD-INIZCTEOSA-N 0 0 457.482 4.973 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)n2C)cc1 ZINC001450448723 1067081326 /nfs/dbraw/zinc/08/13/26/1067081326.db2.gz MGVYERZWNVGQLD-UHFFFAOYSA-N 0 0 453.852 4.604 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1cc2ccccc2s1 ZINC001458527692 1067081457 /nfs/dbraw/zinc/08/14/57/1067081457.db2.gz OZZIWRPICZWREZ-MRXNPFEDSA-N 0 0 457.349 4.659 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(C1)CCCOC2)NC(=O)OC(C)(C)C ZINC001545784595 1067081392 /nfs/dbraw/zinc/08/13/92/1067081392.db2.gz WOFYZVJXZKSSJC-CPJSRVTESA-N 0 0 491.677 4.610 20 0 JJADRN CCCCc1ccc(C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)cc1 ZINC001458527455 1067081545 /nfs/dbraw/zinc/08/15/45/1067081545.db2.gz OLLRBIOQROVOLU-HXUWFJFHSA-N 0 0 457.368 4.787 20 0 JJADRN COc1ccc(Cl)cc1NCC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC001545785017 1067081642 /nfs/dbraw/zinc/08/16/42/1067081642.db2.gz JABOPKJZFZURFF-UHFFFAOYSA-N 0 0 454.011 4.837 20 0 JJADRN CC[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)N(C)C(=O)OC(C)(C)C ZINC001545785612 1067081694 /nfs/dbraw/zinc/08/16/94/1067081694.db2.gz ZHYZWUGVMGCREW-LJQANCHMSA-N 0 0 455.640 4.708 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1)SC ZINC001545784705 1067081799 /nfs/dbraw/zinc/08/17/99/1067081799.db2.gz ZLEFIAUVYLOLAK-SFHVURJKSA-N 0 0 464.705 4.615 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001546022940 1067081714 /nfs/dbraw/zinc/08/17/14/1067081714.db2.gz RHXVKBKFFVWYJM-UEXGIBASSA-N 0 0 463.022 4.628 20 0 JJADRN C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1ccc(Br)cc1OCCCO ZINC001450452549 1067081845 /nfs/dbraw/zinc/08/18/45/1067081845.db2.gz UKVCBMIURKTYTM-AWEZNQCLSA-N 0 0 456.764 4.510 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCc2nc3ccccc3c(=O)[nH]2)ccc1C(=O)OC(C)(C)C ZINC001458529434 1067082007 /nfs/dbraw/zinc/08/20/07/1067082007.db2.gz DXKKZORWXHCMNX-OAHLLOKOSA-N 0 0 453.564 4.860 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC001458528426 1067082037 /nfs/dbraw/zinc/08/20/37/1067082037.db2.gz ACHGVAAWSDZRGE-INIZCTEOSA-N 0 0 454.592 4.682 20 0 JJADRN Cc1cc2cc(C(=O)N[C@@H](CO)c3ccc(Br)cc3)oc2c(Br)c1 ZINC001450451667 1067081968 /nfs/dbraw/zinc/08/19/68/1067081968.db2.gz JQSSNMGJGKZQLI-HNNXBMFYSA-N 0 0 453.130 4.730 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545786230 1067082057 /nfs/dbraw/zinc/08/20/57/1067082057.db2.gz KYXRIRWPLOTCAV-JQVVWYNYSA-N 0 0 499.656 4.966 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)SC ZINC001545786608 1067082484 /nfs/dbraw/zinc/08/24/84/1067082484.db2.gz SQNPEUQYCQKDAV-MOPGFXCFSA-N 0 0 481.707 4.540 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)cn1 ZINC001458532160 1067082663 /nfs/dbraw/zinc/08/26/63/1067082663.db2.gz PXAQYHTWXDKFJI-UHFFFAOYSA-N 0 0 456.237 4.938 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C)SC ZINC001545786866 1067082668 /nfs/dbraw/zinc/08/26/68/1067082668.db2.gz YOSWUJDPSAJBOX-LJQANCHMSA-N 0 0 482.691 4.656 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CCc1cnc2ccccc2c1)c1ccc(Br)cc1 ZINC001458531121 1067082867 /nfs/dbraw/zinc/08/28/67/1067082867.db2.gz AXLLAFINTSMLSQ-NRFANRHFSA-N 0 0 455.352 4.741 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001546023149 1067082857 /nfs/dbraw/zinc/08/28/57/1067082857.db2.gz XNPZIGGIGWDHMG-GGAORHGYSA-N 0 0 470.658 4.839 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(Br)cc1 ZINC001458533721 1067083153 /nfs/dbraw/zinc/08/31/53/1067083153.db2.gz JLNQWNAIXFXMEL-KXBFYZLASA-N 0 0 450.398 4.882 20 0 JJADRN C[C@H]1CN(C(=O)C(C)(C)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001450469789 1067083205 /nfs/dbraw/zinc/08/32/05/1067083205.db2.gz NDMKPOQBYITOME-SFHVURJKSA-N 0 0 450.579 4.577 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1(C)C ZINC001450471390 1067083217 /nfs/dbraw/zinc/08/32/17/1067083217.db2.gz NOQWEDMIFDIFFW-QHCPKHFHSA-N 0 0 456.652 4.969 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)OC ZINC001545787946 1067083260 /nfs/dbraw/zinc/08/32/60/1067083260.db2.gz CEQCXOHROWVOON-OAQYLSRUSA-N 0 0 485.579 4.795 20 0 JJADRN COC[C@@]1(C(=O)OC(C)(C)C)CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)C1 ZINC001458533782 1067083395 /nfs/dbraw/zinc/08/33/95/1067083395.db2.gz XKGVQYMHNHQLIR-XMMPIXPASA-N 0 0 455.580 4.552 20 0 JJADRN O=C(NC/C=C/c1cccnc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001450470284 1067083468 /nfs/dbraw/zinc/08/34/68/1067083468.db2.gz RTFRYXCPMVPJBV-DUXPYHPUSA-N 0 0 457.790 4.715 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC001458533331 1067083500 /nfs/dbraw/zinc/08/35/00/1067083500.db2.gz VOUUHVDQEODVAT-KFWWJZLASA-N 0 0 457.621 4.758 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1OC ZINC001458534912 1067083612 /nfs/dbraw/zinc/08/36/12/1067083612.db2.gz YLKYHIFWDCBPOZ-OAHLLOKOSA-N 0 0 450.373 4.619 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450474463 1067083860 /nfs/dbraw/zinc/08/38/60/1067083860.db2.gz OMROUXVOKIHDJA-JWQCQUIFSA-N 0 0 450.579 4.779 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccon1)NC(=O)OC(C)(C)C ZINC001545788173 1067083814 /nfs/dbraw/zinc/08/38/14/1067083814.db2.gz LKWBNXJGXPZZDO-UHFFFAOYSA-N 0 0 486.592 4.716 20 0 JJADRN C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([S@@](C)=O)cc1 ZINC001458536116 1067083951 /nfs/dbraw/zinc/08/39/51/1067083951.db2.gz HFOSBCHSHQSEAC-LDCXZXNSSA-N 0 0 450.645 4.713 20 0 JJADRN CC(C)c1cccc(OCC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450475730 1067084139 /nfs/dbraw/zinc/08/41/39/1067084139.db2.gz RHLNXTJBTIPFEY-LOSJGSFVSA-N 0 0 450.579 4.742 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1Nc1cnn(C)c1)NC(=O)OC(C)(C)C ZINC001545788247 1067084197 /nfs/dbraw/zinc/08/41/97/1067084197.db2.gz NYTRQTYOWAQNGC-UHFFFAOYSA-N 0 0 471.581 4.569 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)nn1-c1ccccc1Br ZINC001458538356 1067084293 /nfs/dbraw/zinc/08/42/93/1067084293.db2.gz YUACBTPYXWTUEC-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)c1ccc(Br)cc1 ZINC001458538397 1067084338 /nfs/dbraw/zinc/08/43/38/1067084338.db2.gz ZBEZFFCSYHHXRL-KRWDZBQOSA-N 0 0 459.365 4.997 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)c1C ZINC001458538492 1067084594 /nfs/dbraw/zinc/08/45/94/1067084594.db2.gz QXCRMGWRYUVCQA-QUENFVSXSA-N 0 0 450.579 4.948 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1)SC ZINC001545788516 1067085020 /nfs/dbraw/zinc/08/50/20/1067085020.db2.gz XMEWNRRVQJRMJN-UHFFFAOYSA-N 0 0 489.705 4.819 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545788545 1067085070 /nfs/dbraw/zinc/08/50/70/1067085070.db2.gz YERWBLVLIPVSNX-FQEVSTJZSA-N 0 0 492.064 4.831 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/c1cccnc1 ZINC001450492850 1067085073 /nfs/dbraw/zinc/08/50/73/1067085073.db2.gz HKSGTGNPSLYKED-ATMJUNJVSA-N 0 0 455.558 4.918 20 0 JJADRN O=c1c(Cl)c(N2CCC[C@](F)(c3ccccc3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458546770 1067085541 /nfs/dbraw/zinc/08/55/41/1067085541.db2.gz NFGAWCVISSHHEB-HXUWFJFHSA-N 0 0 452.839 4.765 20 0 JJADRN CC1(C)CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@@H](C(F)(F)F)O1 ZINC001450506220 1067085517 /nfs/dbraw/zinc/08/55/17/1067085517.db2.gz ICXLYBBXGZPBPQ-INIZCTEOSA-N 0 0 451.470 4.697 20 0 JJADRN O=C(NCc1nc2ccccc2o1)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001450507468 1067085658 /nfs/dbraw/zinc/08/56/58/1067085658.db2.gz BIJFUHRLNRIEOF-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN O=C(NCCO[C@@H]1CCCCO1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001450524809 1067086042 /nfs/dbraw/zinc/08/60/42/1067086042.db2.gz UVCOOIMBHUNXCO-GOSISDBHSA-N 0 0 455.736 4.563 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)o1 ZINC001458549155 1067086111 /nfs/dbraw/zinc/08/61/11/1067086111.db2.gz UVNRBAQQRKRSHL-DUXPYHPUSA-N 0 0 458.241 4.583 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)o1 ZINC001458549162 1067086157 /nfs/dbraw/zinc/08/61/57/1067086157.db2.gz UVNRBAQQRKRSHL-RQOWECAXSA-N 0 0 458.241 4.583 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C1)CCCOC2)SC ZINC001545789527 1067086173 /nfs/dbraw/zinc/08/61/73/1067086173.db2.gz KHVNVFRTYDTSHY-XMMPIXPASA-N 0 0 458.672 4.806 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)CC2)cc1 ZINC001450524414 1067086358 /nfs/dbraw/zinc/08/63/58/1067086358.db2.gz MSDJNAUFHMVYPW-QHCPKHFHSA-N 0 0 457.659 4.880 20 0 JJADRN CSc1cc(Br)ccc1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458550962 1067086448 /nfs/dbraw/zinc/08/64/48/1067086448.db2.gz PXAXCJWXVOVKDO-UHFFFAOYSA-N 0 0 454.289 4.717 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCC(C)=C(C)C1)NC(=O)OC(C)(C)C ZINC001545789737 1067086581 /nfs/dbraw/zinc/08/65/81/1067086581.db2.gz RFPJMPQRUKXHPE-UHFFFAOYSA-N 0 0 468.646 4.894 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)SC ZINC001545789793 1067086815 /nfs/dbraw/zinc/08/68/15/1067086815.db2.gz UBBIKGBMZWXXSQ-NRFANRHFSA-N 0 0 498.741 4.661 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)SC ZINC001545789858 1067087032 /nfs/dbraw/zinc/08/70/32/1067087032.db2.gz WIRGHTWPOODSBS-UHFFFAOYSA-N 0 0 491.587 4.557 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC001450536701 1067087650 /nfs/dbraw/zinc/08/76/50/1067087650.db2.gz DBUDZGPJXIPPIT-JPYJTQIMSA-N 0 0 455.352 4.563 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2N)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001450540749 1067087795 /nfs/dbraw/zinc/08/77/95/1067087795.db2.gz LNYAAISBUGFURS-QGZVFWFLSA-N 0 0 457.509 4.645 20 0 JJADRN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C(=O)NCC(F)(F)F)cc1F ZINC001450539566 1067087888 /nfs/dbraw/zinc/08/78/88/1067087888.db2.gz IMEMMUJBBJSFIF-UHFFFAOYSA-N 0 0 455.795 4.987 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Cc3nnc[nH]3)cc2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001450539457 1067087910 /nfs/dbraw/zinc/08/79/10/1067087910.db2.gz KOPRKYPKZRZAAC-KRWDZBQOSA-N 0 0 457.509 4.586 20 0 JJADRN Cc1cc(N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)nc(S(C)(=O)=O)n1 ZINC001458566218 1067088348 /nfs/dbraw/zinc/08/83/48/1067088348.db2.gz RCZUIMXZRVLCDE-UHFFFAOYSA-N 0 0 453.898 4.549 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccccc2F)CCO1 ZINC001546102152 1067088208 /nfs/dbraw/zinc/08/82/08/1067088208.db2.gz SEYMBZXJRASUOD-RQNQAMLKSA-N 0 0 458.622 4.974 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c3ccc4ccccc4c3)c12 ZINC001458567582 1067088538 /nfs/dbraw/zinc/08/85/38/1067088538.db2.gz IQVPFDAPRGLBFJ-OAQYLSRUSA-N 0 0 459.550 4.724 20 0 JJADRN COc1ccccc1-c1cc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)no1 ZINC001458567120 1067088572 /nfs/dbraw/zinc/08/85/72/1067088572.db2.gz DGZHANJPXITHRQ-UHFFFAOYSA-N 0 0 455.820 4.616 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC001458569024 1067088836 /nfs/dbraw/zinc/08/88/36/1067088836.db2.gz WCOYSXSXXWTDFQ-VQTJNVASSA-N 0 0 451.523 4.675 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)CCC1 ZINC001450544388 1067089039 /nfs/dbraw/zinc/08/90/39/1067089039.db2.gz MNQPOIRGAUQNJS-UHFFFAOYSA-N 0 0 452.374 4.959 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)OC ZINC001545791447 1067089390 /nfs/dbraw/zinc/08/93/90/1067089390.db2.gz SJNXMLNPGBTFFR-OAQYLSRUSA-N 0 0 491.608 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNc3cc(-c4ccccc4)ncn3)cc2)CC1 ZINC001458575211 1067090363 /nfs/dbraw/zinc/09/03/63/1067090363.db2.gz BOZRPHBHTWLTPV-UHFFFAOYSA-N 0 0 459.594 4.808 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)C1)OC ZINC001545792658 1067090527 /nfs/dbraw/zinc/09/05/27/1067090527.db2.gz IDTQNAQOJIYVTR-UHFFFAOYSA-N 0 0 473.362 4.670 20 0 JJADRN CCOCc1nc(Cl)cc(N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)n1 ZINC001458584170 1067090769 /nfs/dbraw/zinc/09/07/69/1067090769.db2.gz ATAYVIJWESKCAA-UHFFFAOYSA-N 0 0 455.386 4.851 20 0 JJADRN CN1Cc2ccccc2[C@H](NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586437 1067090792 /nfs/dbraw/zinc/09/07/92/1067090792.db2.gz KGCKIOMNBUZJQX-DHIUTWEWSA-N 0 0 451.364 4.872 20 0 JJADRN CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545792786 1067090913 /nfs/dbraw/zinc/09/09/13/1067090913.db2.gz MMOXLWWBQLNBLS-OAQYLSRUSA-N 0 0 496.656 4.590 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2cccc(C)c2)C1)OC ZINC001545792884 1067091421 /nfs/dbraw/zinc/09/14/21/1067091421.db2.gz PQEORQRQRIRMDA-QHCPKHFHSA-N 0 0 450.631 4.647 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545792795 1067091438 /nfs/dbraw/zinc/09/14/38/1067091438.db2.gz MSHLDOSYFSMXQU-IBGZPJMESA-N 0 0 487.693 4.850 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC001458589698 1067091582 /nfs/dbraw/zinc/09/15/82/1067091582.db2.gz SNSZVGHARTXFNL-KRWDZBQOSA-N 0 0 458.839 4.577 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)C[C@H](C)O1 ZINC001458593459 1067091631 /nfs/dbraw/zinc/09/16/31/1067091631.db2.gz MOXPPDHTWDTEBL-RZUBCFFCSA-N 0 0 457.014 4.880 20 0 JJADRN Cc1ccc(CN2CCO[C@H](CNc3ncncc3-c3ccc(Br)cc3)C2)cc1 ZINC001458590297 1067091679 /nfs/dbraw/zinc/09/16/79/1067091679.db2.gz FVKJUDDRVRIGSJ-OAQYLSRUSA-N 0 0 453.384 4.527 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1cccc(C)c1)OC ZINC001545793119 1067091680 /nfs/dbraw/zinc/09/16/80/1067091680.db2.gz WXOFYNKKBXAQIY-HSZRJFAPSA-N 0 0 450.631 4.995 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCOc2ncccc2Cl)CCO1 ZINC001546102263 1067092158 /nfs/dbraw/zinc/09/21/58/1067092158.db2.gz VAYJFHWSMARWSU-HSZRJFAPSA-N 0 0 492.407 4.643 20 0 JJADRN CC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)Cc2ccccc2C1 ZINC001545793411 1067092101 /nfs/dbraw/zinc/09/21/01/1067092101.db2.gz DTAKKQQEBFEDQE-UHFFFAOYSA-N 0 0 454.979 4.676 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001546024357 1067092393 /nfs/dbraw/zinc/09/23/93/1067092393.db2.gz BWFMGSNHIVGSNL-UWJYYQICSA-N 0 0 456.612 4.533 20 0 JJADRN CCC(CC)(Cn1c(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C)SC ZINC001545794386 1067092497 /nfs/dbraw/zinc/09/24/97/1067092497.db2.gz BNWWGQIRFPTPHS-SFHVURJKSA-N 0 0 477.723 4.887 20 0 JJADRN CCC(CC)(Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1)SC ZINC001545794521 1067092551 /nfs/dbraw/zinc/09/25/51/1067092551.db2.gz FXEYNAKXADSKJE-RUZDIDTESA-N 0 0 476.662 4.942 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1)OC ZINC001545794557 1067092846 /nfs/dbraw/zinc/09/28/46/1067092846.db2.gz HCTIZNCUVMKKSR-BGYRXZFFSA-N 0 0 461.651 4.801 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nccs2)CCO1 ZINC001546102287 1067093009 /nfs/dbraw/zinc/09/30/09/1067093009.db2.gz VLPFKCSXWJLAMB-JOCHJYFZSA-N 0 0 462.019 4.605 20 0 JJADRN CC(=O)c1cccc(NC(=O)C[C@H](C)CCc2ccc(I)cc2)c1O ZINC001450595743 1067093080 /nfs/dbraw/zinc/09/30/80/1067093080.db2.gz HUSVJDYHFNUBSF-CYBMUJFWSA-N 0 0 451.304 4.797 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)SC ZINC001545794746 1067093356 /nfs/dbraw/zinc/09/33/56/1067093356.db2.gz NIUYTROBCLYMGK-UHFFFAOYSA-N 0 0 485.698 4.536 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC001458606505 1067093436 /nfs/dbraw/zinc/09/34/36/1067093436.db2.gz YOZHEWODXWLHKD-UHFFFAOYSA-N 0 0 454.353 4.699 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001450599872 1067093616 /nfs/dbraw/zinc/09/36/16/1067093616.db2.gz FESXJYGKSBMLKU-GCJKJVERSA-N 0 0 454.368 4.529 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)OC ZINC001545794773 1067093599 /nfs/dbraw/zinc/09/35/99/1067093599.db2.gz ODODPJWOJLAPRR-HOYKHHGWSA-N 0 0 495.089 4.813 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001545794797 1067093648 /nfs/dbraw/zinc/09/36/48/1067093648.db2.gz OOSLREZYLSWQEW-UHFFFAOYSA-N 0 0 498.697 4.771 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458606903 1067093652 /nfs/dbraw/zinc/09/36/52/1067093652.db2.gz MIBFYHDPZDXBEN-LIRRHRJNSA-N 0 0 459.461 4.692 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)SC ZINC001545794770 1067093837 /nfs/dbraw/zinc/09/38/37/1067093837.db2.gz OABKZZNGLWGREH-HSZRJFAPSA-N 0 0 475.728 4.763 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1ccnc(OCC(F)(F)F)c1 ZINC001458609143 1067094085 /nfs/dbraw/zinc/09/40/85/1067094085.db2.gz IAZCPCCGLWTVKO-UHFFFAOYSA-N 0 0 457.168 4.734 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)SC ZINC001545794908 1067094191 /nfs/dbraw/zinc/09/41/91/1067094191.db2.gz RMNGERKPKZYOIS-NHCUHLMSSA-N 0 0 458.672 4.950 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)SC ZINC001545794910 1067094287 /nfs/dbraw/zinc/09/42/87/1067094287.db2.gz RMNGERKPKZYOIS-SFTDATJTSA-N 0 0 458.672 4.950 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450603520 1067094240 /nfs/dbraw/zinc/09/42/40/1067094240.db2.gz IQYBHLFTZPQCQM-KKSFZXQISA-N 0 0 455.352 4.597 20 0 JJADRN CCC(CC)(Cn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545795058 1067094420 /nfs/dbraw/zinc/09/44/20/1067094420.db2.gz VZHGFWZOMKQBDJ-AIUHUKMKSA-N 0 0 470.658 4.906 20 0 JJADRN CCOc1ccc2cc(C(=O)N(CCc3ccc(Cl)cc3)C[C@H](O)C(F)(F)F)[nH]c2c1 ZINC001450607415 1067094700 /nfs/dbraw/zinc/09/47/00/1067094700.db2.gz IRABYPSMMUQLRK-FQEVSTJZSA-N 0 0 454.876 4.828 20 0 JJADRN COCCOc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611855 1067094913 /nfs/dbraw/zinc/09/49/13/1067094913.db2.gz YQYBYDZXIYEDLH-CQSZACIVSA-N 0 0 452.404 4.973 20 0 JJADRN COc1ccccc1C[C@@H](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450608601 1067094975 /nfs/dbraw/zinc/09/49/75/1067094975.db2.gz MJQCJLLNYMCHCN-IERDGZPVSA-N 0 0 457.920 4.912 20 0 JJADRN O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450610387 1067095399 /nfs/dbraw/zinc/09/53/99/1067095399.db2.gz QUMQRVCEJONGMW-DVRPDQNBSA-N 0 0 458.396 4.717 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)SC ZINC001545795155 1067095435 /nfs/dbraw/zinc/09/54/35/1067095435.db2.gz ZVTVRBPBSFJBAC-NQIIRXRSSA-N 0 0 462.635 4.923 20 0 JJADRN COc1cccc(C2(C(=O)Nc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)cs3)CC2)c1 ZINC001450609243 1067095532 /nfs/dbraw/zinc/09/55/32/1067095532.db2.gz MSMWQNIENNPRGC-UHFFFAOYSA-N 0 0 457.596 4.937 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450611732 1067095815 /nfs/dbraw/zinc/09/58/15/1067095815.db2.gz UEKKRYSOJMKASL-CXAGYDPISA-N 0 0 457.162 4.699 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCc2sccc2C1)SC ZINC001545796384 1067096036 /nfs/dbraw/zinc/09/60/36/1067096036.db2.gz DJUWYNIJMGZJNN-ICSRJNTNSA-N 0 0 464.701 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)CC1 ZINC001450615223 1067096023 /nfs/dbraw/zinc/09/60/23/1067096023.db2.gz XHTNAIKTUSIFEJ-UHFFFAOYSA-N 0 0 453.568 4.900 20 0 JJADRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450615728 1067096120 /nfs/dbraw/zinc/09/61/20/1067096120.db2.gz GVGSHHXSVMZCCN-YLJYHZDGSA-N 0 0 459.635 4.703 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1)SC ZINC001545796554 1067096240 /nfs/dbraw/zinc/09/62/40/1067096240.db2.gz IQOOVNHAGKPMMW-AZUAARDMSA-N 0 0 463.717 4.996 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001546024518 1067096267 /nfs/dbraw/zinc/09/62/67/1067096267.db2.gz HYZVXHFGAFAHPM-KRWDZBQOSA-N 0 0 490.421 4.795 20 0 JJADRN COc1ccccc1SCC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450617273 1067096305 /nfs/dbraw/zinc/09/63/05/1067096305.db2.gz ZGIJRSGXMYNSMV-HRAATJIYSA-N 0 0 450.398 4.522 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)SC ZINC001545796711 1067096803 /nfs/dbraw/zinc/09/68/03/1067096803.db2.gz MZQVNBKWEQWPPK-GOSISDBHSA-N 0 0 467.680 4.545 20 0 JJADRN CCC(CC)(Cn1c(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)OC ZINC001545796732 1067096835 /nfs/dbraw/zinc/09/68/35/1067096835.db2.gz NQDUYAFHTDBDLP-WOJBJXKFSA-N 0 0 477.694 4.910 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](c2ccco2)C1 ZINC001546024547 1067096921 /nfs/dbraw/zinc/09/69/21/1067096921.db2.gz IWLBXHYHBJLUMX-INIZCTEOSA-N 0 0 489.414 4.854 20 0 JJADRN CCC(CC)(Cn1c(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C)OC ZINC001545796906 1067097116 /nfs/dbraw/zinc/09/71/16/1067097116.db2.gz SBFDNMCNYMQVGP-LJQANCHMSA-N 0 0 466.573 4.960 20 0 JJADRN CCC(CC)(Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545796841 1067097180 /nfs/dbraw/zinc/09/71/80/1067097180.db2.gz QWMLYTSMRMGSMG-HXUWFJFHSA-N 0 0 477.694 4.912 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1)OC ZINC001545797861 1067097467 /nfs/dbraw/zinc/09/74/67/1067097467.db2.gz BCOMCEAQEGYYTH-GDBMZVCRSA-N 0 0 471.465 4.836 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001450632260 1067097502 /nfs/dbraw/zinc/09/75/02/1067097502.db2.gz YKRQUCNXEYMFRU-ZHLQPPSXSA-N 0 0 481.559 4.824 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001546024594 1067097566 /nfs/dbraw/zinc/09/75/66/1067097566.db2.gz KISNVMVWYBMAKN-FQEVSTJZSA-N 0 0 477.447 4.654 20 0 JJADRN O=C(c1ncccc1NCC1CCC1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450630843 1067097661 /nfs/dbraw/zinc/09/76/61/1067097661.db2.gz WYFKJQZORWFPAN-LJQANCHMSA-N 0 0 455.908 4.555 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCCc1cccs1)Cc1cc(F)c(F)cc1F ZINC001545797588 1067097627 /nfs/dbraw/zinc/09/76/27/1067097627.db2.gz QYUJQIOKBSTLEJ-OAHLLOKOSA-N 0 0 456.530 4.740 20 0 JJADRN CCC(CC)(Cn1c(N2CCn3c(nnc3-c3ccccc3)C2)nnc1C(C)(C)C)SC ZINC001545796943 1067097697 /nfs/dbraw/zinc/09/76/97/1067097697.db2.gz TVIFTRZZXKJLMG-UHFFFAOYSA-N 0 0 453.660 4.776 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1)OC ZINC001545797957 1067097905 /nfs/dbraw/zinc/09/79/05/1067097905.db2.gz CLYFLBJGHYQNMA-HSZRJFAPSA-N 0 0 488.076 4.889 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)Nc3ccc(Cl)cc3OC(F)F)cc2CN1C(=O)OC(C)(C)C ZINC001458626038 1067098147 /nfs/dbraw/zinc/09/81/47/1067098147.db2.gz NUXHCCPEZJGSDT-LLVKDONJSA-N 0 0 456.877 4.529 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCOC1)OC ZINC001545798243 1067098769 /nfs/dbraw/zinc/09/87/69/1067098769.db2.gz HZJBUEGLTALYNN-XLIONFOSSA-N 0 0 483.426 4.913 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)OC ZINC001545798180 1067098849 /nfs/dbraw/zinc/09/88/49/1067098849.db2.gz GYBKAHFWLMSFLA-FGZHOGPDSA-N 0 0 474.049 4.641 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C)OC ZINC001545798190 1067098875 /nfs/dbraw/zinc/09/88/75/1067098875.db2.gz HEHUQBUBTOYRCK-MGPUTAFESA-N 0 0 483.426 4.913 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H]1C)OC ZINC001545798189 1067098920 /nfs/dbraw/zinc/09/89/20/1067098920.db2.gz HEHUQBUBTOYRCK-FOIQADDNSA-N 0 0 483.426 4.913 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N3CC(Cc4cccc(C(F)(F)F)c4)C3)c(=O)oc2c1 ZINC001450654894 1067098866 /nfs/dbraw/zinc/09/88/66/1067098866.db2.gz CQWQCJLXUYQXJY-UHFFFAOYSA-N 0 0 459.464 4.763 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c2ccccc21 ZINC001450647042 1067098942 /nfs/dbraw/zinc/09/89/42/1067098942.db2.gz MJRIJGHQGNOTIM-XOBRGWDASA-N 0 0 455.327 4.972 20 0 JJADRN CC[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(Br)c1 ZINC001458630630 1067099145 /nfs/dbraw/zinc/09/91/45/1067099145.db2.gz ZCXVXOUESUAXFN-IBGZPJMESA-N 0 0 454.386 4.786 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](COC)C1 ZINC001546024769 1067099384 /nfs/dbraw/zinc/09/93/84/1067099384.db2.gz PQIMHKLWAYYEBY-OAHLLOKOSA-N 0 0 485.854 4.775 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001546024754 1067099547 /nfs/dbraw/zinc/09/95/47/1067099547.db2.gz PIHQXZUWEGPZAP-QGZVFWFLSA-N 0 0 465.627 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001450662112 1067099737 /nfs/dbraw/zinc/09/97/37/1067099737.db2.gz OZPJICUDIDWRJS-IBGZPJMESA-N 0 0 452.517 4.886 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC001450665886 1067099746 /nfs/dbraw/zinc/09/97/46/1067099746.db2.gz AJRNJMDZUISSEV-UHFFFAOYSA-N 0 0 451.321 4.650 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C)C1)OC ZINC001545798413 1067099779 /nfs/dbraw/zinc/09/97/79/1067099779.db2.gz KQJKLGUKNYLPJU-IIBYNOLFSA-N 0 0 495.462 4.783 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@@H]1C)OC ZINC001545798459 1067100616 /nfs/dbraw/zinc/10/06/16/1067100616.db2.gz LIORSALQWQSBRK-RXVVDRJESA-N 0 0 487.714 4.784 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1)OC ZINC001545798442 1067100644 /nfs/dbraw/zinc/10/06/44/1067100644.db2.gz LEOYTZLZDFDSDF-VWLOTQADSA-N 0 0 462.642 4.816 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(C)=O)CC1)OC ZINC001545798426 1067100696 /nfs/dbraw/zinc/10/06/96/1067100696.db2.gz KWVFNCAFJRXWLZ-QFIPXVFZSA-N 0 0 480.028 4.684 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3ccccc3OCC(=O)Nc3cccnc3)cs2)cc1 ZINC001458655066 1067100665 /nfs/dbraw/zinc/10/06/65/1067100665.db2.gz RWRJTUSPEVXMHH-UHFFFAOYSA-N 0 0 458.543 4.707 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C1 ZINC001458648466 1067100723 /nfs/dbraw/zinc/10/07/23/1067100723.db2.gz FLDLDJBFZUEBLV-RDJZCZTQSA-N 0 0 459.949 4.955 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)OC ZINC001545798484 1067100755 /nfs/dbraw/zinc/10/07/55/1067100755.db2.gz LRCHLEQQLQFSST-ZEQRLZLVSA-N 0 0 487.595 4.981 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1)OC ZINC001545798524 1067101118 /nfs/dbraw/zinc/10/11/18/1067101118.db2.gz MHCYQTQCJSRUBI-UGKGYDQZSA-N 0 0 482.467 4.882 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](OC)C1)OC ZINC001545798606 1067101233 /nfs/dbraw/zinc/10/12/33/1067101233.db2.gz OAEGOYLIBHMNNQ-TYCQWZJGSA-N 0 0 496.494 4.749 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)C1)OC ZINC001545798516 1067101293 /nfs/dbraw/zinc/10/12/93/1067101293.db2.gz MDEXGSSGLZVUPW-HXUWFJFHSA-N 0 0 485.629 4.590 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1)OC ZINC001545798521 1067101312 /nfs/dbraw/zinc/10/13/12/1067101312.db2.gz MHCYQTQCJSRUBI-DENIHFKCSA-N 0 0 482.467 4.882 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)OC)C1)OC ZINC001545798690 1067101783 /nfs/dbraw/zinc/10/17/83/1067101783.db2.gz PNFZOWJKJGNZNS-WOJBJXKFSA-N 0 0 454.571 4.532 20 0 JJADRN COC(=O)[C@@H]1O[C@@H](C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)c(Cl)c2)CCC3)C[C@H]1C ZINC001458658856 1067101968 /nfs/dbraw/zinc/10/19/68/1067101968.db2.gz OZAORLHVTRRKAB-CYKIYJRWSA-N 0 0 482.385 4.680 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1)OC ZINC001545798639 1067101836 /nfs/dbraw/zinc/10/18/36/1067101836.db2.gz OQUIGZVRGXPYAF-DEOSSOPVSA-N 0 0 455.647 4.542 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)OC)C1)OC ZINC001545798687 1067101875 /nfs/dbraw/zinc/10/18/75/1067101875.db2.gz PNFZOWJKJGNZNS-PMACEKPBSA-N 0 0 454.571 4.532 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1)OC ZINC001545798640 1067101906 /nfs/dbraw/zinc/10/19/06/1067101906.db2.gz OQUIGZVRGXPYAF-XMMPIXPASA-N 0 0 455.647 4.542 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1)OC ZINC001545798692 1067101930 /nfs/dbraw/zinc/10/19/30/1067101930.db2.gz PNUIDTKGNBOJMH-SLYNCCJLSA-N 0 0 487.714 4.674 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001546025006 1067102085 /nfs/dbraw/zinc/10/20/85/1067102085.db2.gz XRZMFZOKSURZTI-UHFFFAOYSA-N 0 0 460.447 4.796 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2Br)nnc1N1CCOC[C@@H]1C)OC ZINC001545798854 1067102523 /nfs/dbraw/zinc/10/25/23/1067102523.db2.gz SHQANJQFNCSLDP-OXJNMPFZSA-N 0 0 465.436 4.774 20 0 JJADRN O=C(NCc1ccc(OCc2ccccc2F)cc1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001458660185 1067102565 /nfs/dbraw/zinc/10/25/65/1067102565.db2.gz UUWGMBVANUSBQW-JOCHJYFZSA-N 0 0 452.551 4.777 20 0 JJADRN Cc1ccc([C@@H](CC(F)(F)F)NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001458659690 1067102582 /nfs/dbraw/zinc/10/25/82/1067102582.db2.gz PUMAHDPWXKWDME-MRXNPFEDSA-N 0 0 453.262 4.762 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC001458659729 1067102590 /nfs/dbraw/zinc/10/25/90/1067102590.db2.gz OSQNVQVPKRLFQJ-UHFFFAOYSA-N 0 0 455.352 4.973 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001450687872 1067103221 /nfs/dbraw/zinc/10/32/21/1067103221.db2.gz GOGPKMHJWLCHSZ-NRFANRHFSA-N 0 0 458.599 4.544 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1 ZINC001458663546 1067103834 /nfs/dbraw/zinc/10/38/34/1067103834.db2.gz UUKZGRCPIGQGFA-LJQANCHMSA-N 0 0 456.608 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3cccc(Oc4ccccn4)c3)CC2)C1 ZINC001450693243 1067104123 /nfs/dbraw/zinc/10/41/23/1067104123.db2.gz NZSMDEUNWLANQT-OAQYLSRUSA-N 0 0 451.567 4.983 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(O)c2)CC1)OC ZINC001545799157 1067104346 /nfs/dbraw/zinc/10/43/46/1067104346.db2.gz YBKDRDTUIJGQKE-HSZRJFAPSA-N 0 0 467.614 4.720 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450693987 1067104287 /nfs/dbraw/zinc/10/42/87/1067104287.db2.gz AECUQWIVBCHPSA-OAQYLSRUSA-N 0 0 455.368 4.760 20 0 JJADRN CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)[C@@H](C)C(C)C ZINC001450696846 1067105125 /nfs/dbraw/zinc/10/51/25/1067105125.db2.gz DEJZWWIORGRWCK-HNNXBMFYSA-N 0 0 453.402 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3csc(-c4ccc(O)cc4)n3)CC2)C1 ZINC001450699011 1067105296 /nfs/dbraw/zinc/10/52/96/1067105296.db2.gz WJHYINXGKYXQKJ-GOSISDBHSA-N 0 0 457.596 4.625 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](O)CC2(CCCC2)C1)OC ZINC001545800143 1067106195 /nfs/dbraw/zinc/10/61/95/1067106195.db2.gz BNRNKTOFHFXCQN-GGAORHGYSA-N 0 0 455.647 4.621 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450701642 1067106777 /nfs/dbraw/zinc/10/67/77/1067106777.db2.gz JTPDFAOWFQOOKC-AOMKIAJQSA-N 0 0 456.505 4.722 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1csc(C)n1)OC ZINC001545800455 1067106824 /nfs/dbraw/zinc/10/68/24/1067106824.db2.gz GWKONCLEYLXWEN-RTWAWAEBSA-N 0 0 455.632 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ncc(Br)s3)cccc21 ZINC001450702076 1067106932 /nfs/dbraw/zinc/10/69/32/1067106932.db2.gz QBJOOANYPNHBFP-UHFFFAOYSA-N 0 0 452.374 4.523 20 0 JJADRN CC(C)(C)Sc1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccn1 ZINC001458678464 1067107090 /nfs/dbraw/zinc/10/70/90/1067107090.db2.gz UUQVSRQLYVJTNG-INIZCTEOSA-N 0 0 451.514 4.522 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1)OC ZINC001545800516 1067107441 /nfs/dbraw/zinc/10/74/41/1067107441.db2.gz HWKDWZSAIBSXQA-KRWDZBQOSA-N 0 0 454.541 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C(=O)c1cccs1)C2 ZINC001450702895 1067107443 /nfs/dbraw/zinc/10/74/43/1067107443.db2.gz LLIYYDIBXFKZRG-VWLOTQADSA-N 0 0 454.592 4.842 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450703070 1067107538 /nfs/dbraw/zinc/10/75/38/1067107538.db2.gz MGKUJZMVNIIUOC-OAQYLSRUSA-N 0 0 455.368 4.760 20 0 JJADRN 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MXMPVSCFCUCLSL-GOSISDBHSA-N 0 0 459.522 4.639 20 0 JJADRN CCCCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC001458730516 1067122922 /nfs/dbraw/zinc/12/29/22/1067122922.db2.gz PPJDIPUXBJDKIE-OAHLLOKOSA-N 0 0 458.609 4.704 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCO[C@H](C)C1 ZINC001546026269 1067123383 /nfs/dbraw/zinc/12/33/83/1067123383.db2.gz JTQKNBKSWFAGMJ-QGZVFWFLSA-N 0 0 458.603 4.979 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC001458732766 1067123572 /nfs/dbraw/zinc/12/35/72/1067123572.db2.gz IWDAAOZBGALFPT-IRXDYDNUSA-N 0 0 456.011 4.980 20 0 JJADRN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545806770 1067123623 /nfs/dbraw/zinc/12/36/23/1067123623.db2.gz PYGGPZDQAHXKLA-LEWJYISDSA-N 0 0 456.329 4.709 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC(F)F)CC1 ZINC001546026302 1067123937 /nfs/dbraw/zinc/12/39/37/1067123937.db2.gz KPNPFOUCYNEUAP-UHFFFAOYSA-N 0 0 493.599 4.751 20 0 JJADRN COC(=O)c1cccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1OC(C)C ZINC001450809436 1067125024 /nfs/dbraw/zinc/12/50/24/1067125024.db2.gz AVSZTPCFKXUOLE-UHFFFAOYSA-N 0 0 459.340 4.925 20 0 JJADRN COCCn1c(=O)c2c3c(sc2nc1SCc1ncc(Cl)cc1Cl)CCCC3 ZINC001458734658 1067125536 /nfs/dbraw/zinc/12/55/36/1067125536.db2.gz QXEINBKBELLAMU-UHFFFAOYSA-N 0 0 456.420 4.977 20 0 JJADRN Cc1sc2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n(C)c(=O)c2c1C ZINC001458736538 1067126191 /nfs/dbraw/zinc/12/61/91/1067126191.db2.gz TVZGAOHJAUHKSR-HOCLYGCPSA-N 0 0 455.649 4.849 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(c3nccc4sccc43)CC2)cc1 ZINC001450830959 1067127074 /nfs/dbraw/zinc/12/70/74/1067127074.db2.gz QSTRMBVXRHJKFB-UHFFFAOYSA-N 0 0 451.592 4.643 20 0 JJADRN CC[C@H](c1nnc(S[C@@H]2CCO[C@H](c3cccnc3)C2)n1-c1ccc(OC)cc1)N(C)C ZINC001458738192 1067127562 /nfs/dbraw/zinc/12/75/62/1067127562.db2.gz RXLLMDDALBNOHZ-VSKRKVRLSA-N 0 0 453.612 4.696 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(SCCCCC(=O)N(C)C)n(Cc4ccco4)c(=O)c32)C1 ZINC001458738961 1067127591 /nfs/dbraw/zinc/12/75/91/1067127591.db2.gz XHESKYOJGWGDIB-OAHLLOKOSA-N 0 0 459.637 4.575 20 0 JJADRN COc1ccc(C)cc1-n1c(S[C@H](C)c2nccc(N)n2)nc2cc(Cl)ccc2c1=O ZINC001458739020 1067128392 /nfs/dbraw/zinc/12/83/92/1067128392.db2.gz XQGSCNMAFDOZQU-CYBMUJFWSA-N 0 0 453.955 4.582 20 0 JJADRN COc1ccc(C)cc1-n1c(S[C@@H](C)c2nccc(N)n2)nc2cc(Cl)ccc2c1=O ZINC001458739029 1067128400 /nfs/dbraw/zinc/12/84/00/1067128400.db2.gz XQGSCNMAFDOZQU-ZDUSSCGKSA-N 0 0 453.955 4.582 20 0 JJADRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450833778 1067128304 /nfs/dbraw/zinc/12/83/04/1067128304.db2.gz XRGYKHWKCUZVEQ-DOTOQJQBSA-N 0 0 450.377 4.727 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC001450835007 1067128638 /nfs/dbraw/zinc/12/86/38/1067128638.db2.gz SHCFODDXTWBQBZ-BJESRGMDSA-N 0 0 456.627 4.737 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC001458740833 1067128901 /nfs/dbraw/zinc/12/89/01/1067128901.db2.gz AJOXNTHXTHCNAO-RAXLEYEMSA-N 0 0 452.576 4.800 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)c1ccc(I)c(O)c1)C(F)(F)F ZINC001450837925 1067129532 /nfs/dbraw/zinc/12/95/32/1067129532.db2.gz SFWDQNLXXZPVDL-VIFPVBQESA-N 0 0 451.182 4.579 20 0 JJADRN COc1ccc(C2=NC[C@H](CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)S2)cc1 ZINC001458743723 1067129668 /nfs/dbraw/zinc/12/96/68/1067129668.db2.gz ATWXYGNNQSCGSM-LJQANCHMSA-N 0 0 453.637 4.619 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)C(F)(F)F ZINC001450839067 1067129716 /nfs/dbraw/zinc/12/97/16/1067129716.db2.gz WKFUXFMLELRJSG-GFCCVEGCSA-N 0 0 459.490 4.792 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCCC1CCCCCC1 ZINC001458746830 1067130254 /nfs/dbraw/zinc/13/02/54/1067130254.db2.gz LHIASROBRQTJIZ-UHFFFAOYSA-N 0 0 451.658 4.530 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)C(F)(F)F ZINC001450839068 1067130291 /nfs/dbraw/zinc/13/02/91/1067130291.db2.gz WKFUXFMLELRJSG-LBPRGKRZSA-N 0 0 459.490 4.792 20 0 JJADRN CCn1c(S[C@@H](Cc2ccccc2)C(=O)NC)nc2scc(-c3cccs3)c2c1=O ZINC001458749272 1067131064 /nfs/dbraw/zinc/13/10/64/1067131064.db2.gz DOUBRTHWHJKSDA-KRWDZBQOSA-N 0 0 455.630 4.656 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N(CCCc2ccccc2)c2ccccc2)cc1 ZINC001450846446 1067131081 /nfs/dbraw/zinc/13/10/81/1067131081.db2.gz WZNSHRBNCRMYOJ-UHFFFAOYSA-N 0 0 450.604 4.901 20 0 JJADRN CCCCCn1c2ccccc2nc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001458749644 1067131133 /nfs/dbraw/zinc/13/11/33/1067131133.db2.gz GKKHNNRFUAYFAB-UHFFFAOYSA-N 0 0 456.637 4.997 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)n2N)cc1 ZINC001458749792 1067131617 /nfs/dbraw/zinc/13/16/17/1067131617.db2.gz QUGYVAGHUMQXDV-GOSISDBHSA-N 0 0 459.978 4.647 20 0 JJADRN Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nnc(C(F)(F)F)s2)cc1 ZINC001458753729 1067132072 /nfs/dbraw/zinc/13/20/72/1067132072.db2.gz ULRWZZCXJWAXPF-UHFFFAOYSA-N 0 0 458.510 4.555 20 0 JJADRN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC(c2cccc(F)c2)CC1 ZINC001450852032 1067132475 /nfs/dbraw/zinc/13/24/75/1067132475.db2.gz RDQPFXFHBTWJIJ-UHFFFAOYSA-N 0 0 454.929 4.740 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(C)C)c2)C1 ZINC001546103213 1067132847 /nfs/dbraw/zinc/13/28/47/1067132847.db2.gz CSBPJRKRHNYGEW-UHFFFAOYSA-N 0 0 453.631 4.614 20 0 JJADRN CC[C@@H]1CCc2sc(-c3nnc(SCc4c(Br)cnn4C)n3C)cc2C1 ZINC001458756215 1067132866 /nfs/dbraw/zinc/13/28/66/1067132866.db2.gz VIJXDISOYRRBHK-LLVKDONJSA-N 0 0 452.447 4.847 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001546026517 1067133035 /nfs/dbraw/zinc/13/30/35/1067133035.db2.gz QNGUEXYKTQPLPJ-FQEVSTJZSA-N 0 0 462.953 4.768 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC001546026475 1067133107 /nfs/dbraw/zinc/13/31/07/1067133107.db2.gz PPOLUVYKMAOGHW-QFIPXVFZSA-N 0 0 481.685 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccccc2OC2CCC2)CC1 ZINC001450856070 1067133160 /nfs/dbraw/zinc/13/31/60/1067133160.db2.gz LRGZGISBBUWCKJ-JTHBVZDNSA-N 0 0 458.599 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccccc2OC2CCC2)CC1 ZINC001450856062 1067133187 /nfs/dbraw/zinc/13/31/87/1067133187.db2.gz LRGZGISBBUWCKJ-GMAHTHKFSA-N 0 0 458.599 4.542 20 0 JJADRN CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458760932 1067133552 /nfs/dbraw/zinc/13/35/52/1067133552.db2.gz GLUFBLQIPKVOKQ-MAUKXSAKSA-N 0 0 457.258 4.562 20 0 JJADRN CN(C(=O)c1c(F)cccc1I)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458762738 1067134170 /nfs/dbraw/zinc/13/41/70/1067134170.db2.gz NAUCFSRILOAWLL-PBHICJAKSA-N 0 0 457.258 4.562 20 0 JJADRN O=C(Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1)c1nccnc1Cl ZINC001546027015 1067134489 /nfs/dbraw/zinc/13/44/89/1067134489.db2.gz JVBKFCOCTYRSDS-UHFFFAOYSA-N 0 0 453.627 4.653 20 0 JJADRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NCC(C)C)n2-c2ccc(C)cc2)cc1 ZINC001458764712 1067134736 /nfs/dbraw/zinc/13/47/36/1067134736.db2.gz CASAQWDAUIIBNJ-GOSISDBHSA-N 0 0 451.596 4.514 20 0 JJADRN COc1cc2nc(SCc3cc[nH]c(=O)c3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC001458768609 1067135351 /nfs/dbraw/zinc/13/53/51/1067135351.db2.gz ICMRDPFDLYDKPP-UHFFFAOYSA-N 0 0 453.564 4.697 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC001450907710 1067135465 /nfs/dbraw/zinc/13/54/65/1067135465.db2.gz JFDSGUJSWHMXPD-DHIUTWEWSA-N 0 0 455.396 4.544 20 0 JJADRN Cn1nc(CNC(=O)c2cccc(OCc3ccccc3Br)c2)c2ccccc21 ZINC001458767018 1067136031 /nfs/dbraw/zinc/13/60/31/1067136031.db2.gz MAWVZCMWFMYKNY-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN Cn1c(CC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC001458770062 1067137253 /nfs/dbraw/zinc/13/72/53/1067137253.db2.gz ITSHIKPHMINGFY-INIZCTEOSA-N 0 0 456.390 4.853 20 0 JJADRN COc1ccccc1-n1c(=O)c2ccccc2nc1SC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458769774 1067137268 /nfs/dbraw/zinc/13/72/68/1067137268.db2.gz MIVUYSWLDNAONB-KUHUBIRLSA-N 0 0 450.482 4.986 20 0 JJADRN CC[C@H](NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccccn1 ZINC001450970553 1067137355 /nfs/dbraw/zinc/13/73/55/1067137355.db2.gz ULCUURPBFGYDAY-FQEVSTJZSA-N 0 0 452.352 4.906 20 0 JJADRN Cc1c(C(=O)N2CCc3c(Br)ccc(F)c3C2)cnn1-c1ccc(F)cc1F ZINC001458771500 1067137811 /nfs/dbraw/zinc/13/78/11/1067137811.db2.gz WLLVFQOULZTBKX-UHFFFAOYSA-N 0 0 450.258 4.559 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001450987079 1067137951 /nfs/dbraw/zinc/13/79/51/1067137951.db2.gz QXEPRPHLGMCFDR-XMSQKQJNSA-N 0 0 455.521 4.977 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1C ZINC001458770852 1067137916 /nfs/dbraw/zinc/13/79/16/1067137916.db2.gz BBLQWNGNSJWAOT-OAHLLOKOSA-N 0 0 454.596 4.875 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)nn1-c1ccccc1F ZINC001450988254 1067138626 /nfs/dbraw/zinc/13/86/26/1067138626.db2.gz HNQDPEKDLWVOGC-SFHVURJKSA-N 0 0 458.335 4.665 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)[C@H]2COc3cc(F)ccc3C2)c1 ZINC001458772257 1067139035 /nfs/dbraw/zinc/13/90/35/1067139035.db2.gz GMIROACZYWFCRX-CQSZACIVSA-N 0 0 450.304 4.733 20 0 JJADRN O=C(CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1ccc(Cl)nc1 ZINC001458772515 1067139068 /nfs/dbraw/zinc/13/90/68/1067139068.db2.gz RSZALFVFSBGCHH-UHFFFAOYSA-N 0 0 453.496 4.583 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)s1 ZINC001546028000 1067139097 /nfs/dbraw/zinc/13/90/97/1067139097.db2.gz SJJVTSSXNZSTAT-UHFFFAOYSA-N 0 0 479.444 4.965 20 0 JJADRN CCC(C)(C)OCCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001451012714 1067139189 /nfs/dbraw/zinc/13/91/89/1067139189.db2.gz ZAUMVYUJQAINAR-NRFANRHFSA-N 0 0 457.409 4.510 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001545810919 1067139589 /nfs/dbraw/zinc/13/95/89/1067139589.db2.gz HJYHFCJCOHXLNU-LJQANCHMSA-N 0 0 450.445 4.706 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001546027748 1067139994 /nfs/dbraw/zinc/13/99/94/1067139994.db2.gz KIMRGAGLZMINTD-FQEVSTJZSA-N 0 0 494.640 4.538 20 0 JJADRN COC(=O)C(C)(C)C(=O)[C@@H](C)Sc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1C ZINC001458774537 1067139972 /nfs/dbraw/zinc/13/99/72/1067139972.db2.gz WXQJKKCVDIHEOM-CQSZACIVSA-N 0 0 458.605 4.528 20 0 JJADRN CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC ZINC001458775405 1067140718 /nfs/dbraw/zinc/14/07/18/1067140718.db2.gz NVULLXJAZVDXJV-QGZVFWFLSA-N 0 0 451.470 4.999 20 0 JJADRN CCOC(=O)c1c(C)n[nH]c1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC001458776204 1067141164 /nfs/dbraw/zinc/14/11/64/1067141164.db2.gz HDHYCDBOVQLKPD-UHFFFAOYSA-N 0 0 457.943 4.740 20 0 JJADRN O=Cc1c[nH]c2cc(C(=O)Nc3cnn(Cc4ccc(Br)cc4Cl)c3)ccc12 ZINC001451035885 1067141290 /nfs/dbraw/zinc/14/12/90/1067141290.db2.gz MTVBLEBCXTYOAM-UHFFFAOYSA-N 0 0 457.715 4.893 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1c[nH]c(Br)c1 ZINC001451040028 1067141943 /nfs/dbraw/zinc/14/19/43/1067141943.db2.gz GLMXKLGZAQSIPD-UHFFFAOYSA-N 0 0 458.541 4.690 20 0 JJADRN CC(C)(COCc1ccccc1)NC(=O)NCCSCc1ccc(Br)cc1 ZINC001458779274 1067142241 /nfs/dbraw/zinc/14/22/41/1067142241.db2.gz FVTKOOPWEBVOKU-UHFFFAOYSA-N 0 0 451.430 4.977 20 0 JJADRN COc1cccc(-n2c(SCC(=O)Cc3ccccc3Cl)nc3ccccc3c2=O)c1 ZINC001458778204 1067142443 /nfs/dbraw/zinc/14/24/43/1067142443.db2.gz TXZVPWAVFCNBSG-UHFFFAOYSA-N 0 0 450.947 4.952 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1cc(Br)c[nH]1 ZINC001451045952 1067142592 /nfs/dbraw/zinc/14/25/92/1067142592.db2.gz OJJQMBFHNAOFAB-UHFFFAOYSA-N 0 0 458.541 4.690 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CCO1 ZINC001545813232 1067142537 /nfs/dbraw/zinc/14/25/37/1067142537.db2.gz CDKDBTXOBHIFSB-LLJLJFOGSA-N 0 0 450.579 4.624 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC001451043118 1067142732 /nfs/dbraw/zinc/14/27/32/1067142732.db2.gz XSNATKZHCCDCNY-INIZCTEOSA-N 0 0 450.626 4.557 20 0 JJADRN CO[C@H]1CCC[C@H](CC(=O)Oc2ccc(I)c(Br)c2)C1 ZINC001458779870 1067142943 /nfs/dbraw/zinc/14/29/43/1067142943.db2.gz OULGWPOVLLGULW-QWRGUYRKSA-N 0 0 453.114 4.554 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1OCC ZINC001451046890 1067143175 /nfs/dbraw/zinc/14/31/75/1067143175.db2.gz APMVUOCCYWLHIR-VWLOTQADSA-N 0 0 450.579 4.748 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)cc1OCC ZINC001451046887 1067143242 /nfs/dbraw/zinc/14/32/42/1067143242.db2.gz APMVUOCCYWLHIR-RUZDIDTESA-N 0 0 450.579 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ncsc1Nc1cccnc1)CC2 ZINC001451051800 1067143867 /nfs/dbraw/zinc/14/38/67/1067143867.db2.gz YGNBUULPOPDOTJ-UHFFFAOYSA-N 0 0 457.600 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Cc3ccc(Br)s3)CC2)CC1 ZINC001451052276 1067143909 /nfs/dbraw/zinc/14/39/09/1067143909.db2.gz ZZABZWMNKYADDT-UHFFFAOYSA-N 0 0 457.434 4.693 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc(Cl)c(C)cc2Br)CC1=O ZINC001458780662 1067144202 /nfs/dbraw/zinc/14/42/02/1067144202.db2.gz HTTXXLFEBMWZMU-CYBMUJFWSA-N 0 0 451.748 4.720 20 0 JJADRN CCOC(=O)C(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC001458780764 1067144227 /nfs/dbraw/zinc/14/42/27/1067144227.db2.gz OOPSRIKHRFWNJW-UHFFFAOYSA-N 0 0 458.971 4.542 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)(F)F)C1 ZINC001546103595 1067144750 /nfs/dbraw/zinc/14/47/50/1067144750.db2.gz PIVPLHGNAIPEJW-SFHVURJKSA-N 0 0 481.563 4.730 20 0 JJADRN COC(=O)C1=C(C)O[C@H](CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)C1 ZINC001458782691 1067144780 /nfs/dbraw/zinc/14/47/80/1067144780.db2.gz YRQURNICIAAXPG-IBGZPJMESA-N 0 0 455.967 4.975 20 0 JJADRN Cc1cccn2cc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](NC(=O)OC(C)(C)C)C3)cc12 ZINC001451067577 1067144802 /nfs/dbraw/zinc/14/48/02/1067144802.db2.gz VBERPDUKQRBAGX-FCHUYYIVSA-N 0 0 451.542 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(C)(C)Nc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451062889 1067144855 /nfs/dbraw/zinc/14/48/55/1067144855.db2.gz KFZSYJSJUOVCTR-FCHUYYIVSA-N 0 0 455.574 4.926 20 0 JJADRN CCOc1ccc(-n2c(SCc3ccc(S(C)(=O)=O)o3)nnc2-c2ccccc2)cc1 ZINC001458783907 1067145237 /nfs/dbraw/zinc/14/52/37/1067145237.db2.gz NPBSKVZOJBXPIT-UHFFFAOYSA-N 0 0 455.561 4.622 20 0 JJADRN Cc1ccc(OC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c(Br)n1 ZINC001458784374 1067145257 /nfs/dbraw/zinc/14/52/57/1067145257.db2.gz WWOOQWGAWJQIHY-UHFFFAOYSA-N 0 0 452.308 4.907 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCCCC2)C1 ZINC001546103658 1067145977 /nfs/dbraw/zinc/14/59/77/1067145977.db2.gz RTDURXQZFXBWHS-UHFFFAOYSA-N 0 0 488.076 4.963 20 0 JJADRN Cc1sc2nc(C)nc(SCCS(=O)(=O)c3cccc(Br)c3)c2c1C ZINC001458784790 1067146119 /nfs/dbraw/zinc/14/61/19/1067146119.db2.gz VIANDGDAFJHDJC-UHFFFAOYSA-N 0 0 457.440 4.945 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)NCCc2cccc(Cl)c2Cl)cc1Cl ZINC001458786472 1067146491 /nfs/dbraw/zinc/14/64/91/1067146491.db2.gz UPXHPLBOJMLIFD-UHFFFAOYSA-N 0 0 455.798 4.987 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)ccn1 ZINC001458786473 1067146529 /nfs/dbraw/zinc/14/65/29/1067146529.db2.gz ZAMGHSFZWUOIFR-UHFFFAOYSA-N 0 0 450.308 4.529 20 0 JJADRN O=c1c2ccccc2nc(SC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1C[C@@H]1CCCO1 ZINC001458787560 1067146541 /nfs/dbraw/zinc/14/65/41/1067146541.db2.gz VHHHCUGFKYXQEO-IFXJQAMLSA-N 0 0 451.375 4.708 20 0 JJADRN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1F ZINC001458786093 1067146596 /nfs/dbraw/zinc/14/65/96/1067146596.db2.gz RZRIBLKUUANMOY-UHFFFAOYSA-N 0 0 456.445 4.882 20 0 JJADRN O=C(Nc1cc(-c2cccs2)nn1Cc1ccccc1)c1cc[nH]c(=O)c1Br ZINC001451109714 1067146739 /nfs/dbraw/zinc/14/67/39/1067146739.db2.gz KNPMVZZNRAJOIP-UHFFFAOYSA-N 0 0 455.337 4.775 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C1CCCCCC1 ZINC001458787279 1067147323 /nfs/dbraw/zinc/14/73/23/1067147323.db2.gz DTLJAVBVJFGTFN-CRAIPNDOSA-N 0 0 453.396 4.916 20 0 JJADRN C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1)C1CCCCCC1 ZINC001458788279 1067147389 /nfs/dbraw/zinc/14/73/89/1067147389.db2.gz ILITVOUNNTVYLJ-VQIMIIECSA-N 0 0 458.462 4.518 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cnn1-c1ccc(C)cc1 ZINC001451123546 1067147566 /nfs/dbraw/zinc/14/75/66/1067147566.db2.gz BHIVMTLUQOXHNX-XUVXKRRUSA-N 0 0 452.599 4.509 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)oc1-c1ccccc1 ZINC001451126729 1067148051 /nfs/dbraw/zinc/14/80/51/1067148051.db2.gz FMCJSMZLBSJHSR-QHAWAJNXSA-N 0 0 453.583 4.734 20 0 JJADRN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2csc(Cl)n2)cc1OC ZINC001458791221 1067148766 /nfs/dbraw/zinc/14/87/66/1067148766.db2.gz HXJFHUWYCMXTKR-UHFFFAOYSA-N 0 0 459.980 4.864 20 0 JJADRN FC(F)(F)COc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cn1 ZINC001458795820 1067149050 /nfs/dbraw/zinc/14/90/50/1067149050.db2.gz JHHXNPIUHKXELM-CQSZACIVSA-N 0 0 456.515 4.814 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451139053 1067149116 /nfs/dbraw/zinc/14/91/16/1067149116.db2.gz NGACKVYBGIBVSB-GVDBMIGSSA-N 0 0 451.405 4.831 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)cc1 ZINC001458794464 1067149368 /nfs/dbraw/zinc/14/93/68/1067149368.db2.gz VOUWCFFUMOWPAC-FQEVSTJZSA-N 0 0 456.587 4.751 20 0 JJADRN O=C(Nc1csc(-c2ccncc2)n1)c1c(F)ccc(I)c1Cl ZINC001458796937 1067149921 /nfs/dbraw/zinc/14/99/21/1067149921.db2.gz FBBKPASQGSWQJE-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1OC1CCCC1 ZINC001451147804 1067150077 /nfs/dbraw/zinc/15/00/77/1067150077.db2.gz VJZOBPOEGVJYSG-SLFFLAALSA-N 0 0 458.599 4.782 20 0 JJADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 ZINC001458806340 1067150598 /nfs/dbraw/zinc/15/05/98/1067150598.db2.gz AYNVKGNJBPPHIA-KRWDZBQOSA-N 0 0 458.400 4.963 20 0 JJADRN CCC[C@H](O)[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1Cl)CC2 ZINC001451149933 1067150546 /nfs/dbraw/zinc/15/05/46/1067150546.db2.gz HDHFNLIZLVFNEC-SDSKZYSGSA-N 0 0 450.966 4.627 20 0 JJADRN CCC[C@H](O)[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1Cl)CC2 ZINC001451149946 1067150565 /nfs/dbraw/zinc/15/05/65/1067150565.db2.gz HDHFNLIZLVFNEC-XOLJBUHUSA-N 0 0 450.966 4.627 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)OCc2nc(-c3c(F)cccc3F)cs2)cs1 ZINC001458812224 1067151839 /nfs/dbraw/zinc/15/18/39/1067151839.db2.gz FNCQVABYVKETFW-UHFFFAOYSA-N 0 0 451.520 4.815 20 0 JJADRN O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(Br)cnn2c1 ZINC001458810447 1067151916 /nfs/dbraw/zinc/15/19/16/1067151916.db2.gz BRJFNBWRWOPEDA-UHFFFAOYSA-N 0 0 450.264 4.856 20 0 JJADRN CN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001451169084 1067151996 /nfs/dbraw/zinc/15/19/96/1067151996.db2.gz FJASAFZAROBQEH-XPWALMASSA-N 0 0 452.599 4.863 20 0 JJADRN CN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001451169082 1067152010 /nfs/dbraw/zinc/15/20/10/1067152010.db2.gz FJASAFZAROBQEH-VJBWXMMDSA-N 0 0 452.599 4.863 20 0 JJADRN Cc1cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)nc(C)c1Br ZINC001458813226 1067152552 /nfs/dbraw/zinc/15/25/52/1067152552.db2.gz DYOWPEFINSPFNT-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1nnc2cc(C)c3ccccc3n21 ZINC001458812336 1067152623 /nfs/dbraw/zinc/15/26/23/1067152623.db2.gz KKYYCCNHVXYJBO-AWEZNQCLSA-N 0 0 454.577 4.857 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC001451185324 1067152760 /nfs/dbraw/zinc/15/27/60/1067152760.db2.gz SBYZQJUGLDNYBF-AEFFLSMTSA-N 0 0 463.481 4.909 20 0 JJADRN COc1ccc(F)cc1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001545818575 1067153207 /nfs/dbraw/zinc/15/32/07/1067153207.db2.gz JHWHQTNMFTUFQQ-UHFFFAOYSA-N 0 0 456.539 4.675 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001458814573 1067153195 /nfs/dbraw/zinc/15/31/95/1067153195.db2.gz SJHSJZGNULFUOW-HNNXBMFYSA-N 0 0 455.451 4.847 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)OCc3nc(-c4c(F)cccc4F)cs3)c21 ZINC001458814067 1067153214 /nfs/dbraw/zinc/15/32/14/1067153214.db2.gz JHLXBKRBUOFSPE-UHFFFAOYSA-N 0 0 454.380 4.746 20 0 JJADRN O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N(CCCCc1ccccc1)c1ccccc1 ZINC001451194783 1067153375 /nfs/dbraw/zinc/15/33/75/1067153375.db2.gz UIBCUBPPOVIOJW-UKILVPOCSA-N 0 0 457.492 4.854 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(CCCCc2ccccc2)c2ccccc2)c1 ZINC001451192394 1067153384 /nfs/dbraw/zinc/15/33/84/1067153384.db2.gz PKGDSBOTBPCVEQ-UHFFFAOYSA-N 0 0 450.604 4.638 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC1 ZINC001458816773 1067153607 /nfs/dbraw/zinc/15/36/07/1067153607.db2.gz TXFQXVZRTZHCMI-UHFFFAOYSA-N 0 0 450.966 4.909 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC001458816091 1067153701 /nfs/dbraw/zinc/15/37/01/1067153701.db2.gz JMHIFKOUSCNEBX-FQEVSTJZSA-N 0 0 458.331 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(C(=O)C[C@H]4C=CCCC4)CC3)[nH]n2)CC1 ZINC001451239619 1067154471 /nfs/dbraw/zinc/15/44/71/1067154471.db2.gz BBKNGPYSMCNXFR-IBGZPJMESA-N 0 0 456.631 4.977 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)C1CCC1 ZINC001451243369 1067155121 /nfs/dbraw/zinc/15/51/21/1067155121.db2.gz QMPLIBDIPUBBMC-NRFANRHFSA-N 0 0 456.608 4.535 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001451246042 1067155192 /nfs/dbraw/zinc/15/51/92/1067155192.db2.gz BNVVAFIZLNWZNG-JKSUJKDBSA-N 0 0 455.443 4.576 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)Cc1ccccc1Cl ZINC001458820624 1067155436 /nfs/dbraw/zinc/15/54/36/1067155436.db2.gz OENJPTAKEZWYRX-HOYKHHGWSA-N 0 0 451.998 4.980 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccncc2)c1 ZINC001458820426 1067155510 /nfs/dbraw/zinc/15/55/10/1067155510.db2.gz WRUBLXMXQNLBQK-ZEQKJWHPSA-N 0 0 458.558 4.892 20 0 JJADRN CCc1cc2c(nc(SCCNC(=O)C3CCCC3)n(CCc3ccccc3)c2=O)s1 ZINC001458821509 1067156143 /nfs/dbraw/zinc/15/61/43/1067156143.db2.gz JEPCIAGCAZMVKV-UHFFFAOYSA-N 0 0 455.649 4.662 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1)c1ccoc1 ZINC001451257228 1067156310 /nfs/dbraw/zinc/15/63/10/1067156310.db2.gz YMGJZEGZSVIBPT-QFIPXVFZSA-N 0 0 458.436 4.535 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451254086 1067156519 /nfs/dbraw/zinc/15/65/19/1067156519.db2.gz VXIJFUFEAKWSEH-UEXGIBASSA-N 0 0 450.323 4.803 20 0 JJADRN O=C(CC[C@@H]1CCCCO1)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC001458822328 1067156555 /nfs/dbraw/zinc/15/65/55/1067156555.db2.gz MIQTYDIZIAOEBL-FQEVSTJZSA-N 0 0 455.555 4.996 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001546029767 1067157076 /nfs/dbraw/zinc/15/70/76/1067157076.db2.gz QBETXVPFEQDXKK-KRWDZBQOSA-N 0 0 478.037 4.595 20 0 JJADRN C[S@@](=N)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001451260036 1067157078 /nfs/dbraw/zinc/15/70/78/1067157078.db2.gz MWZRVNSLOCNTNG-MLNJSSBLSA-N 0 0 454.379 4.520 20 0 JJADRN Cc1c(C(=O)N2CCc3c2cccc3C(F)(F)F)nnn1-c1cccc(Br)c1 ZINC001458822793 1067157121 /nfs/dbraw/zinc/15/71/21/1067157121.db2.gz HHYOXBPVJZPNJV-UHFFFAOYSA-N 0 0 451.246 4.560 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC001546029824 1067157169 /nfs/dbraw/zinc/15/71/69/1067157169.db2.gz RWYLNEFXVNMIDD-IBGZPJMESA-N 0 0 469.655 4.962 20 0 JJADRN CC[C@@H](O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl ZINC001458823978 1067157182 /nfs/dbraw/zinc/15/71/82/1067157182.db2.gz LPXJZDZLKICDRZ-CQSZACIVSA-N 0 0 453.789 4.724 20 0 JJADRN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1cc(C(=O)OC)cs1 ZINC001458824143 1067157209 /nfs/dbraw/zinc/15/72/09/1067157209.db2.gz GCUWANOONBCSNY-UHFFFAOYSA-N 0 0 453.383 4.709 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 ZINC001458824685 1067157964 /nfs/dbraw/zinc/15/79/64/1067157964.db2.gz XZPXDTWTNDZJMU-QGZVFWFLSA-N 0 0 458.427 4.984 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC001451290188 1067157940 /nfs/dbraw/zinc/15/79/40/1067157940.db2.gz IKGCCFVIVIQSSQ-ZEQRLZLVSA-N 0 0 450.579 4.588 20 0 JJADRN COc1ccc(-c2nnc(S[C@H]3CCCN(C(C)C)C3=O)n2C2CCCCC2)cc1OC ZINC001458824471 1067158065 /nfs/dbraw/zinc/15/80/65/1067158065.db2.gz SRTYRRFZNFAWTP-NRFANRHFSA-N 0 0 458.628 4.959 20 0 JJADRN CC[C@](CNC(=O)c1ccccc1CSc1nc(C)cs1)(C(=O)OC)c1ccccc1 ZINC001451309229 1067158502 /nfs/dbraw/zinc/15/85/02/1067158502.db2.gz KQXSROFWMSHLJD-XMMPIXPASA-N 0 0 454.617 4.995 20 0 JJADRN CC[C@@](CNC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C)(C(=O)OC)c1ccccc1 ZINC001451311213 1067158572 /nfs/dbraw/zinc/15/85/72/1067158572.db2.gz PCPBTDPGDNRMDA-NDEPHWFRSA-N 0 0 455.558 4.893 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 ZINC001451313614 1067159336 /nfs/dbraw/zinc/15/93/36/1067159336.db2.gz SYDQEJZECHEVPB-VBKZILBWSA-N 0 0 450.938 4.801 20 0 JJADRN Cn1nc(C2CCCC2)cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001458826751 1067159753 /nfs/dbraw/zinc/15/97/53/1067159753.db2.gz OYKFAFIQXUEUGT-UHFFFAOYSA-N 0 0 455.296 4.852 20 0 JJADRN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1ccc(C(=O)OC)s1 ZINC001458826861 1067159823 /nfs/dbraw/zinc/15/98/23/1067159823.db2.gz QEYPRIPZYZESAN-UHFFFAOYSA-N 0 0 453.383 4.709 20 0 JJADRN Cc1[nH]nc(C(F)F)c1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001545820983 1067160392 /nfs/dbraw/zinc/16/03/92/1067160392.db2.gz OVVVBEPEQANJPJ-UHFFFAOYSA-N 0 0 450.287 4.735 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)Sc1nnc(SCc2ccc(OC)cc2)s1 ZINC001458828882 1067160773 /nfs/dbraw/zinc/16/07/73/1067160773.db2.gz YGNFYIZTKJOVGR-KRWDZBQOSA-N 0 0 450.582 4.855 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC001451374307 1067161400 /nfs/dbraw/zinc/16/14/00/1067161400.db2.gz CKCPJLVIPSDYJA-UHFFFAOYSA-N 0 0 459.637 4.843 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)c3ccnn3C)nnc2-c2ccccc2Cl)cc1 ZINC001458830788 1067161414 /nfs/dbraw/zinc/16/14/14/1067161414.db2.gz CNGXRJBEQLRTKK-UHFFFAOYSA-N 0 0 453.955 4.695 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)C[C@H](C)c3cccc(F)c3)c2C)c1 ZINC001458833577 1067161775 /nfs/dbraw/zinc/16/17/75/1067161775.db2.gz CQEAQSOWUXPICD-BXKMTCNYSA-N 0 0 451.542 4.731 20 0 JJADRN CC(C)c1ccc(-n2ccnc2S[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC001458832333 1067161790 /nfs/dbraw/zinc/16/17/90/1067161790.db2.gz CMGHIVJCWSVBBH-GHTZIAJQSA-N 0 0 451.592 4.775 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@]3(CCSC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001451377706 1067161791 /nfs/dbraw/zinc/16/17/91/1067161791.db2.gz JRWZAXHSKJVTLI-GRWTVWFQSA-N 0 0 453.023 4.913 20 0 JJADRN Cc1ccc(-n2c(SCCCCC(=O)N(C)C)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC001458834768 1067162739 /nfs/dbraw/zinc/16/27/39/1067162739.db2.gz LOPGDLQJJLIPGR-UHFFFAOYSA-N 0 0 455.649 4.903 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)on1 ZINC001545822090 1067162781 /nfs/dbraw/zinc/16/27/81/1067162781.db2.gz SVQUADRIDHOJPO-OUOWLKGYSA-N 0 0 451.615 4.967 20 0 JJADRN Cc1c(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)cnn1CC(C)C ZINC001458834893 1067162850 /nfs/dbraw/zinc/16/28/50/1067162850.db2.gz HKNNQTIWQYJIAG-UHFFFAOYSA-N 0 0 450.608 4.689 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451387877 1067162957 /nfs/dbraw/zinc/16/29/57/1067162957.db2.gz INSIVFOELJUERK-FBAPQVDSSA-N 0 0 481.568 4.553 20 0 JJADRN Cn1cc(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001451387491 1067162993 /nfs/dbraw/zinc/16/29/93/1067162993.db2.gz GLZFVKXCGAZFKS-XZOQPEGZSA-N 0 0 465.569 4.769 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1 ZINC001545822047 1067163035 /nfs/dbraw/zinc/16/30/35/1067163035.db2.gz RSQNABOTSXMUBX-KRWDZBQOSA-N 0 0 460.623 4.787 20 0 JJADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SC/C(Cl)=C/Cl ZINC001458835043 1067163630 /nfs/dbraw/zinc/16/36/30/1067163630.db2.gz MTRRRHHAJQODDK-XFXZXTDPSA-N 0 0 452.201 4.997 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)cc1 ZINC001458835625 1067164241 /nfs/dbraw/zinc/16/42/41/1067164241.db2.gz GVEOLVADNSUCEV-OALUTQOASA-N 0 0 458.624 4.654 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)cc1 ZINC001458835629 1067164295 /nfs/dbraw/zinc/16/42/95/1067164295.db2.gz GVEOLVADNSUCEV-RBUKOAKNSA-N 0 0 458.624 4.654 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3nc(C)cs3)C2)on1 ZINC001545822339 1067164345 /nfs/dbraw/zinc/16/43/45/1067164345.db2.gz ZUTLOXDDFNRYBC-SFHVURJKSA-N 0 0 485.658 4.505 20 0 JJADRN COCc1c2ccccc2oc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451394278 1067164429 /nfs/dbraw/zinc/16/44/29/1067164429.db2.gz VXCMRPRJMJDVCK-PZJWPPBQSA-N 0 0 468.525 4.851 20 0 JJADRN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001458836462 1067164899 /nfs/dbraw/zinc/16/48/99/1067164899.db2.gz PQQWUBFTJONIQS-IFXJQAMLSA-N 0 0 450.482 4.905 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(Cc2cccc(F)c2)C(C)C)on1 ZINC001545823090 1067165014 /nfs/dbraw/zinc/16/50/14/1067165014.db2.gz AGYOSAGYNXEXMY-NRFANRHFSA-N 0 0 468.577 4.723 20 0 JJADRN CCOc1ccc(-n2c(SCCCC(=O)C(=O)OC)nnc2-c2cccc(Cl)c2)cc1 ZINC001458836655 1067164987 /nfs/dbraw/zinc/16/49/87/1067164987.db2.gz QASPEWKSFUPBDR-UHFFFAOYSA-N 0 0 459.955 4.601 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2cccn3c(I)cnc23)C[C@@H](c2ccccc2)C1 ZINC001451398465 1067165105 /nfs/dbraw/zinc/16/51/05/1067165105.db2.gz IBTDSXUJUAIXMS-BHYGNILZSA-N 0 0 459.331 4.641 20 0 JJADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCCOC1CCCC1 ZINC001458837277 1067165438 /nfs/dbraw/zinc/16/54/38/1067165438.db2.gz YRMMPRBBSHFFOI-UHFFFAOYSA-N 0 0 455.418 4.637 20 0 JJADRN O=C(Cc1ccccc1)OCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC001458837247 1067165451 /nfs/dbraw/zinc/16/54/51/1067165451.db2.gz PVLDMGSTNAAUBC-UHFFFAOYSA-N 0 0 450.951 4.861 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)c2cc(OC)cc(OC)c2)on1 ZINC001545823229 1067165614 /nfs/dbraw/zinc/16/56/14/1067165614.db2.gz FIAGDDWXIDEESE-UHFFFAOYSA-N 0 0 450.543 4.998 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001451403169 1067165523 /nfs/dbraw/zinc/16/55/23/1067165523.db2.gz QKHQPVZJHSZZSV-HRAATJIYSA-N 0 0 451.542 4.904 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001451407710 1067165662 /nfs/dbraw/zinc/16/56/62/1067165662.db2.gz YCLZXQFJYYKXPX-VIFPVBQESA-N 0 0 457.141 4.532 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823267 1067165705 /nfs/dbraw/zinc/16/57/05/1067165705.db2.gz GYSGHPBIUSJJRE-GOSISDBHSA-N 0 0 458.607 4.589 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](O)c1ccccc1Br ZINC001451408136 1067166215 /nfs/dbraw/zinc/16/62/15/1067166215.db2.gz CWHMSWHSSJPMCD-MRXNPFEDSA-N 0 0 451.773 4.998 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)NC[C@@H](O)c1ccccc1Br ZINC001451408248 1067166268 /nfs/dbraw/zinc/16/62/68/1067166268.db2.gz DRPWLDSYUKJVAR-MRXNPFEDSA-N 0 0 455.443 4.641 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)NC[C@H](O)c1ccccc1Br)c1ccccc1 ZINC001451408447 1067166383 /nfs/dbraw/zinc/16/63/83/1067166383.db2.gz FXMYCGMGEMXNOM-JTHBVZDNSA-N 0 0 454.364 4.981 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCCCC(=O)OCc1ccccc1 ZINC001458838707 1067166354 /nfs/dbraw/zinc/16/63/54/1067166354.db2.gz VTPIYBGERORKKM-UHFFFAOYSA-N 0 0 453.970 4.715 20 0 JJADRN O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N[C@@H]1CCCC[C@H]1F ZINC001451409230 1067166707 /nfs/dbraw/zinc/16/67/07/1067166707.db2.gz DBBXOIPUOMJDOC-RTBURBONSA-N 0 0 459.370 4.734 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)[C@H]2CC)on1 ZINC001545823401 1067166853 /nfs/dbraw/zinc/16/68/53/1067166853.db2.gz LQRIRRZCGUNPJE-HXUWFJFHSA-N 0 0 491.423 4.907 20 0 JJADRN O=C([C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458841053 1067167497 /nfs/dbraw/zinc/16/74/97/1067167497.db2.gz RELQQRMVVYFBHJ-RDJZCZTQSA-N 0 0 450.295 4.567 20 0 JJADRN Cn1cc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c(-c2ccccc2)n1 ZINC001458842115 1067168121 /nfs/dbraw/zinc/16/81/21/1067168121.db2.gz MARLPONFZBQEMK-UHFFFAOYSA-N 0 0 454.317 4.906 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(OC)c(F)c2)on1 ZINC001545823680 1067168221 /nfs/dbraw/zinc/16/82/21/1067168221.db2.gz UZBOGUYPYHFZBB-UHFFFAOYSA-N 0 0 452.534 4.997 20 0 JJADRN Cc1cc(CCC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)ccc1Br ZINC001451412803 1067168563 /nfs/dbraw/zinc/16/85/63/1067168563.db2.gz LNUCLFAWXATTRZ-GOSISDBHSA-N 0 0 455.190 4.645 20 0 JJADRN CCN(Cc1c(O)c(C)ncc1CO)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001451412613 1067168610 /nfs/dbraw/zinc/16/86/10/1067168610.db2.gz ONEHFKVCDGIHSR-WSDLNYQXSA-N 0 0 454.929 4.970 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1F ZINC001458842373 1067168620 /nfs/dbraw/zinc/16/86/20/1067168620.db2.gz LXPJCTKATQIXPI-HSZRJFAPSA-N 0 0 450.485 4.958 20 0 JJADRN COc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C1CC1 ZINC001451413165 1067169404 /nfs/dbraw/zinc/16/94/04/1067169404.db2.gz UOZSQJYDQRRBHD-RBBKRZOGSA-N 0 0 454.542 4.845 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC001451422646 1067169777 /nfs/dbraw/zinc/16/97/77/1067169777.db2.gz FZOOFURQIATDGT-QZTJIDSGSA-N 0 0 451.633 4.644 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)NC[C@H](O)c1ccccc1Br ZINC001451417310 1067169853 /nfs/dbraw/zinc/16/98/53/1067169853.db2.gz HRMPQBWNHFXFTP-KRWDZBQOSA-N 0 0 455.190 4.630 20 0 JJADRN COc1ccc(CC[C@@]2(C)NC(=O)N(CCOC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC001458844991 1067169827 /nfs/dbraw/zinc/16/98/27/1067169827.db2.gz JHOJXAWNNPNRBR-MUUNZHRXSA-N 0 0 458.558 4.745 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](C)CSc4ccc(Cl)cc43)C2=O)c1 ZINC001458845538 1067169933 /nfs/dbraw/zinc/16/99/33/1067169933.db2.gz FFSZLICOPUGSFW-CRAIPNDOSA-N 0 0 457.983 4.628 20 0 JJADRN O=C(c1csc(I)c1)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001451429246 1067170517 /nfs/dbraw/zinc/17/05/17/1067170517.db2.gz BGPMDAMOYMMULB-UHFFFAOYSA-N 0 0 459.352 4.989 20 0 JJADRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC001451426910 1067170627 /nfs/dbraw/zinc/17/06/27/1067170627.db2.gz UTERPXUJRQVZOB-JOCHJYFZSA-N 0 0 458.580 4.651 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545824938 1067170564 /nfs/dbraw/zinc/17/05/64/1067170564.db2.gz NSBKRMBOFPRMSV-SFHVURJKSA-N 0 0 458.607 4.589 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)C1 ZINC001451430638 1067170667 /nfs/dbraw/zinc/17/06/67/1067170667.db2.gz BSWXQZKLJRSZLN-NZQKXSOJSA-N 0 0 453.583 4.606 20 0 JJADRN CCn1cc(C(=O)N2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c2ccccc21 ZINC001451432598 1067171325 /nfs/dbraw/zinc/17/13/25/1067171325.db2.gz RNLYQMGXRLPMOK-XXBNENTESA-N 0 0 455.599 4.586 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)c1 ZINC001451433214 1067171404 /nfs/dbraw/zinc/17/14/04/1067171404.db2.gz SWXCJRFYGGJRCV-UHFFFAOYSA-N 0 0 453.991 4.770 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)CCc2ccccc2F)on1 ZINC001545825193 1067171615 /nfs/dbraw/zinc/17/16/15/1067171615.db2.gz VTDFGJSKSNQZAT-FQEVSTJZSA-N 0 0 455.578 4.930 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)C1 ZINC001451441140 1067171901 /nfs/dbraw/zinc/17/19/01/1067171901.db2.gz QHVTVQLRYIRTSI-NZQKXSOJSA-N 0 0 454.567 4.871 20 0 JJADRN CN(C)c1ncc(Br)cc1C(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001451434970 1067172050 /nfs/dbraw/zinc/17/20/50/1067172050.db2.gz XLWWGTUNYSWVFT-UHFFFAOYSA-N 0 0 450.380 4.547 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@@H](CO)c3ccc(F)cc3)cc12 ZINC001451458399 1067172663 /nfs/dbraw/zinc/17/26/63/1067172663.db2.gz HQSMHGQRJNFMFI-KRWDZBQOSA-N 0 0 457.958 4.753 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCc1csc(C)n1 ZINC001545826133 1067172628 /nfs/dbraw/zinc/17/26/28/1067172628.db2.gz GSBDCNYISJYPSJ-AWEZNQCLSA-N 0 0 476.597 4.680 20 0 JJADRN CCC(CC)c1cc(Cn2c(N(C)Cc3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)on1 ZINC001545826043 1067172631 /nfs/dbraw/zinc/17/26/31/1067172631.db2.gz DJYKHESITQTEEA-JGCGQSQUSA-N 0 0 457.644 4.889 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1Cc1ccnc(SC)c1 ZINC001545826041 1067172685 /nfs/dbraw/zinc/17/26/85/1067172685.db2.gz DDSUYIFMIXTMDS-GOSISDBHSA-N 0 0 466.655 4.868 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1Cc1cccc(C(F)(F)F)n1 ZINC001545826010 1067172705 /nfs/dbraw/zinc/17/27/05/1067172705.db2.gz COHKKMXXZVLFAR-OAHLLOKOSA-N 0 0 490.530 4.562 20 0 JJADRN Cc1ccc(-c2nnc([C@@H](C)Sc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)o2)cc1C ZINC001458852360 1067173145 /nfs/dbraw/zinc/17/31/45/1067173145.db2.gz MPVRAWCANBKLCD-CQSZACIVSA-N 0 0 458.565 4.598 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)c2)cc1 ZINC001451463085 1067173320 /nfs/dbraw/zinc/17/33/20/1067173320.db2.gz NFOFVQHNTXXGQP-WMZHIEFXSA-N 0 0 456.608 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001451462183 1067173335 /nfs/dbraw/zinc/17/33/35/1067173335.db2.gz MJAYFJFAKBZBPU-LJQANCHMSA-N 0 0 459.587 4.502 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@@H]1CCCc2cccnc21 ZINC001545826253 1067173407 /nfs/dbraw/zinc/17/34/07/1067173407.db2.gz JAMMPLONDZPHDQ-KNQAVFIVSA-N 0 0 490.652 4.918 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NCC(C)(C)C2(O)CCCC2)cs1 ZINC001451473798 1067173849 /nfs/dbraw/zinc/17/38/49/1067173849.db2.gz BSGIFYZWAZCQJR-UHFFFAOYSA-N 0 0 453.402 4.642 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451480647 1067174739 /nfs/dbraw/zinc/17/47/39/1067174739.db2.gz ZPTBYYOMMMVYJY-RISCZKNCSA-N 0 0 458.702 4.732 20 0 JJADRN COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001458855666 1067175052 /nfs/dbraw/zinc/17/50/52/1067175052.db2.gz BBNDAQBQTYHLOJ-QGZVFWFLSA-N 0 0 452.580 4.510 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C(C)C)C2)on1 ZINC001545826575 1067175122 /nfs/dbraw/zinc/17/51/22/1067175122.db2.gz QHGALVXXCWJEPS-HSZRJFAPSA-N 0 0 471.577 4.797 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnc(C)s1 ZINC001546031596 1067175377 /nfs/dbraw/zinc/17/53/77/1067175377.db2.gz MJHQANSGXLEGAM-UHFFFAOYSA-N 0 0 452.584 4.553 20 0 JJADRN O=S(=O)(CCCSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccccc1 ZINC001458858439 1067175554 /nfs/dbraw/zinc/17/55/54/1067175554.db2.gz DYKXFUZTBFOYHH-UHFFFAOYSA-N 0 0 455.630 4.876 20 0 JJADRN Cc1cccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c1Br ZINC001458858370 1067175575 /nfs/dbraw/zinc/17/55/75/1067175575.db2.gz DOOLYIUQBDADMC-UHFFFAOYSA-N 0 0 459.413 4.526 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CSc3nnnn3-c3c(C)cccc3C)n2)cc1C ZINC001458858199 1067175643 /nfs/dbraw/zinc/17/56/43/1067175643.db2.gz KQFYYVLLHDUPQR-UHFFFAOYSA-N 0 0 450.593 4.750 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](OC)C2)on1 ZINC001545826693 1067175687 /nfs/dbraw/zinc/17/56/87/1067175687.db2.gz RVDWKYKBRCLPGE-SFHVURJKSA-N 0 0 457.550 4.551 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)c2ccccc12 ZINC001451519820 1067175982 /nfs/dbraw/zinc/17/59/82/1067175982.db2.gz CJWRIYWEOCHTEM-CTUHWIOQSA-N 0 0 452.595 4.959 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826849 1067176283 /nfs/dbraw/zinc/17/62/83/1067176283.db2.gz VEWDMLNQGNBTOG-AZUAARDMSA-N 0 0 481.620 4.616 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)CC12CCOCC2 ZINC001451523768 1067176524 /nfs/dbraw/zinc/17/65/24/1067176524.db2.gz OBNHAVMVTKPUON-QFIPXVFZSA-N 0 0 459.633 4.519 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(S[C@@H]3CCN(c4cccc(Cl)c4)C3=O)n2C)cc1 ZINC001458860852 1067176661 /nfs/dbraw/zinc/17/66/61/1067176661.db2.gz MGZWJBCQRIPKHM-HXUWFJFHSA-N 0 0 456.015 4.879 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@H]1CCCO1 ZINC001458861634 1067176702 /nfs/dbraw/zinc/17/67/02/1067176702.db2.gz GDODJDHZQLQZIH-LJQANCHMSA-N 0 0 452.555 4.667 20 0 JJADRN Cc1cccc(C)c1-n1nnnc1SCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001458861746 1067176781 /nfs/dbraw/zinc/17/67/81/1067176781.db2.gz SPWXPPCZDOUGLP-UHFFFAOYSA-N 0 0 453.369 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C)c1nccs1 ZINC001545826914 1067176681 /nfs/dbraw/zinc/17/66/81/1067176681.db2.gz WYMIIMLJRCUEBE-CABCVRRESA-N 0 0 476.597 4.932 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@H](C)c1nccs1 ZINC001545826915 1067176738 /nfs/dbraw/zinc/17/67/38/1067176738.db2.gz WYMIIMLJRCUEBE-GJZGRUSLSA-N 0 0 476.597 4.932 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@H](C)c1nccs1 ZINC001545826917 1067176773 /nfs/dbraw/zinc/17/67/73/1067176773.db2.gz WYMIIMLJRCUEBE-LSDHHAIUSA-N 0 0 476.597 4.932 20 0 JJADRN CN(CCCN(C)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001451524114 1067176774 /nfs/dbraw/zinc/17/67/74/1067176774.db2.gz YTDCRASOJRLCPC-RBUKOAKNSA-N 0 0 455.640 4.566 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc2)c(OC)c1 ZINC001451538053 1067177314 /nfs/dbraw/zinc/17/73/14/1067177314.db2.gz SMVBWQUIDNIUBP-UHFFFAOYSA-N 0 0 457.571 4.776 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001545827020 1067177388 /nfs/dbraw/zinc/17/73/88/1067177388.db2.gz YXZLIWOOFRXREZ-MRXNPFEDSA-N 0 0 466.561 4.850 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)on1 ZINC001545827055 1067177828 /nfs/dbraw/zinc/17/78/28/1067177828.db2.gz ZGIPHKRHTSZVEO-QGZVFWFLSA-N 0 0 474.650 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001545827899 1067177855 /nfs/dbraw/zinc/17/78/55/1067177855.db2.gz DUCQPMHCFXRYFG-UHFFFAOYSA-N 0 0 484.645 4.672 20 0 JJADRN CCOC(=O)[C@H](Cc1ccc(F)cc1)Sc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC001458865698 1067178311 /nfs/dbraw/zinc/17/83/11/1067178311.db2.gz GCPDKFITRIBAOJ-NRFANRHFSA-N 0 0 454.571 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001545828368 1067178391 /nfs/dbraw/zinc/17/83/91/1067178391.db2.gz RZSKMJTZKNVFHM-IBGZPJMESA-N 0 0 486.661 4.776 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1CCN1c2ccccc2C[C@H]1C ZINC001545828488 1067179138 /nfs/dbraw/zinc/17/91/38/1067179138.db2.gz WUIRHJGQLHDMJO-LRZVDXDASA-N 0 0 466.674 4.663 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1CCN1c2ccccc2C[C@@H]1C ZINC001545828487 1067179176 /nfs/dbraw/zinc/17/91/76/1067179176.db2.gz WUIRHJGQLHDMJO-KQVJYAISSA-N 0 0 466.674 4.663 20 0 JJADRN Cc1ccc(-n2c(SC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCCC2)cc1 ZINC001458866140 1067179162 /nfs/dbraw/zinc/17/91/62/1067179162.db2.gz HTRRILJVADTBLT-LJQANCHMSA-N 0 0 457.644 4.915 20 0 JJADRN CCNc1nc(SCC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)nc2ccccc21 ZINC001458866778 1067179173 /nfs/dbraw/zinc/17/91/73/1067179173.db2.gz IGLQAIZFLAFVJG-UHFFFAOYSA-N 0 0 458.609 4.901 20 0 JJADRN COc1ccc(-c2cc3ncn(CCOc4ccccc4Br)c(=O)c3s2)cc1 ZINC001458866830 1067179199 /nfs/dbraw/zinc/17/91/99/1067179199.db2.gz JYGLYPAUBYASKS-UHFFFAOYSA-N 0 0 457.349 4.975 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC001451572654 1067179238 /nfs/dbraw/zinc/17/92/38/1067179238.db2.gz GCUSKKBXNLYDBW-HKUYNNGSSA-N 0 0 453.421 4.972 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001451575184 1067179256 /nfs/dbraw/zinc/17/92/56/1067179256.db2.gz KKEHBZTWLWOPCA-GHTZIAJQSA-N 0 0 451.567 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001545828526 1067179231 /nfs/dbraw/zinc/17/92/31/1067179231.db2.gz XTMCGYRZHBGCMT-UHFFFAOYSA-N 0 0 464.614 4.893 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccco2)cc1 ZINC001451577959 1067179706 /nfs/dbraw/zinc/17/97/06/1067179706.db2.gz XPRKLDKIIQKPPO-UTKZUKDTSA-N 0 0 459.329 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CC1(C)CCCC1 ZINC001545829691 1067179725 /nfs/dbraw/zinc/17/97/25/1067179725.db2.gz DDFMHJPSTXTRLZ-QHCPKHFHSA-N 0 0 466.674 4.882 20 0 JJADRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001458870801 1067180277 /nfs/dbraw/zinc/18/02/77/1067180277.db2.gz CKPADIBQOCKFLD-INIZCTEOSA-N 0 0 450.543 4.759 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001545829909 1067180555 /nfs/dbraw/zinc/18/05/55/1067180555.db2.gz JKQBQMHKUTVDNY-GHTZIAJQSA-N 0 0 450.631 4.935 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCc1c[nH]c2ccccc12 ZINC001545829911 1067180558 /nfs/dbraw/zinc/18/05/58/1067180558.db2.gz JKQBQMHKUTVDNY-RXVVDRJESA-N 0 0 450.631 4.935 20 0 JJADRN Cc1ccnn1-c1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001458871998 1067180711 /nfs/dbraw/zinc/18/07/11/1067180711.db2.gz FUEAWGBTBWYPDP-UHFFFAOYSA-N 0 0 458.341 4.626 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 ZINC001451601805 1067181074 /nfs/dbraw/zinc/18/10/74/1067181074.db2.gz YUKRBORLTROXNL-XJKSGUPXSA-N 0 0 453.461 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545830305 1067180999 /nfs/dbraw/zinc/18/09/99/1067180999.db2.gz QZUUHBMYCSNXJS-SIKLNZKXSA-N 0 0 467.658 4.952 20 0 JJADRN C[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br)CC(F)(F)F ZINC001451627833 1067181115 /nfs/dbraw/zinc/18/11/15/1067181115.db2.gz BURIDWOCTDWQRM-FZMZJTMJSA-N 0 0 453.299 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1CCc1nc2c(s1)CCCC2 ZINC001545830417 1067181629 /nfs/dbraw/zinc/18/16/29/1067181629.db2.gz UJQYUDNBKKMLNN-UHFFFAOYSA-N 0 0 458.676 4.543 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001546032940 1067181842 /nfs/dbraw/zinc/18/18/42/1067181842.db2.gz JAHCFHOQWRIMIR-FQEVSTJZSA-N 0 0 450.986 4.857 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C1 ZINC001451650440 1067183178 /nfs/dbraw/zinc/18/31/78/1067183178.db2.gz YCVISOIPGIHLLJ-GOSISDBHSA-N 0 0 458.599 4.958 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccoc2C)n1Cc1ccccc1Br ZINC001545833718 1067183467 /nfs/dbraw/zinc/18/34/67/1067183467.db2.gz HWWROJFXBZRHFX-UHFFFAOYSA-N 0 0 474.403 4.545 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H]1CC[C@@H](F)C1 ZINC001545833797 1067183503 /nfs/dbraw/zinc/18/35/03/1067183503.db2.gz LADZPKLHYNFPRB-DZGCQCFKSA-N 0 0 486.455 4.795 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001451658467 1067183810 /nfs/dbraw/zinc/18/38/10/1067183810.db2.gz YQJZPUAWGUMFFF-HSZRJFAPSA-N 0 0 450.648 4.935 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccoc2C)n1Cc1c(F)cccc1SC ZINC001545833952 1067184290 /nfs/dbraw/zinc/18/42/90/1067184290.db2.gz QXMZURWEJKLGFV-UHFFFAOYSA-N 0 0 459.591 4.644 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H]1CC[C@H](F)C1 ZINC001545833800 1067184315 /nfs/dbraw/zinc/18/43/15/1067184315.db2.gz LADZPKLHYNFPRB-ZFWWWQNUSA-N 0 0 486.455 4.795 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CCc1scnc1C ZINC001545834019 1067184318 /nfs/dbraw/zinc/18/43/18/1067184318.db2.gz UFXCGSNEXBYSOQ-UHFFFAOYSA-N 0 0 479.025 4.633 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC[C@H]1C[C@H](F)C1 ZINC001545833931 1067184333 /nfs/dbraw/zinc/18/43/33/1067184333.db2.gz PWHAVEXGAHGZAG-SHTZXODSSA-N 0 0 453.965 4.764 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545834031 1067184702 /nfs/dbraw/zinc/18/47/02/1067184702.db2.gz UODDOLYTFVCMIU-UYAOXDASSA-N 0 0 481.563 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CCCC(F)(F)F ZINC001545834892 1067185452 /nfs/dbraw/zinc/18/54/52/1067185452.db2.gz FGMALMGREQAXNS-UHFFFAOYSA-N 0 0 496.397 4.999 20 0 JJADRN COCCn1c(=O)c2cc(Br)ccc2nc1SCCc1ccc(Cl)cc1 ZINC001458882861 1067185543 /nfs/dbraw/zinc/18/55/43/1067185543.db2.gz NVEWOAOULUYXRI-UHFFFAOYSA-N 0 0 453.789 4.794 20 0 JJADRN Cc1c(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cnn1-c1ccc(C)cc1 ZINC001458881501 1067185550 /nfs/dbraw/zinc/18/55/50/1067185550.db2.gz SGRIOAHHKQXWNL-UHFFFAOYSA-N 0 0 450.539 4.645 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)o2)n1Cc1ccc2sccc2c1 ZINC001545835085 1067186005 /nfs/dbraw/zinc/18/60/05/1067186005.db2.gz KZSGZCAPDJOGKN-UHFFFAOYSA-N 0 0 451.596 4.997 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@H]1CCC[C@H]1C ZINC001545835072 1067186020 /nfs/dbraw/zinc/18/60/20/1067186020.db2.gz KMFJWEQLKAKADV-GDBMZVCRSA-N 0 0 451.537 4.686 20 0 JJADRN COCCn1c(=O)c2cc(Br)ccc2nc1SCc1c(F)cccc1Cl ZINC001458884051 1067186101 /nfs/dbraw/zinc/18/61/01/1067186101.db2.gz OYPWJYJOKDYGGI-UHFFFAOYSA-N 0 0 457.752 4.890 20 0 JJADRN Cc1cc(SCC(=O)N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001451693343 1067186321 /nfs/dbraw/zinc/18/63/21/1067186321.db2.gz DXANWCRAKPEZAR-CJNGLKHVSA-N 0 0 456.446 4.984 20 0 JJADRN O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H](CCO)CC1 ZINC001451677376 1067186347 /nfs/dbraw/zinc/18/63/47/1067186347.db2.gz OQEDHECJRKHLSW-QGZVFWFLSA-N 0 0 458.484 4.578 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Oc3ccc(Cl)cc3OC)c(O)c2)c1 ZINC001451683824 1067186351 /nfs/dbraw/zinc/18/63/51/1067186351.db2.gz XDOOHWAGWPIIFQ-UHFFFAOYSA-N 0 0 457.866 4.543 20 0 JJADRN COc1cccc(SC)c1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001451688346 1067186382 /nfs/dbraw/zinc/18/63/82/1067186382.db2.gz BDNPUHMEOZVZMU-UHFFFAOYSA-N 0 0 453.745 4.927 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)o2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545835170 1067186554 /nfs/dbraw/zinc/18/65/54/1067186554.db2.gz NICQGULKFCPQHJ-UHFFFAOYSA-N 0 0 459.541 4.894 20 0 JJADRN CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1nc(CN2CCOCC2)nc2ccccc21 ZINC001458886170 1067186629 /nfs/dbraw/zinc/18/66/29/1067186629.db2.gz BQAHNTLWLDVLJL-OAQYLSRUSA-N 0 0 459.974 4.547 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1C ZINC001458885454 1067186649 /nfs/dbraw/zinc/18/66/49/1067186649.db2.gz DFCMTBOPDZRDHY-ZDUSSCGKSA-N 0 0 454.621 4.505 20 0 JJADRN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C1 ZINC001451693461 1067186847 /nfs/dbraw/zinc/18/68/47/1067186847.db2.gz FTHWXLVONPWXJD-HKUYNNGSSA-N 0 0 455.574 4.856 20 0 JJADRN COC1(C(F)(F)F)CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 ZINC001451696096 1067187008 /nfs/dbraw/zinc/18/70/08/1067187008.db2.gz FCZLCNQAWIGGSN-UHFFFAOYSA-N 0 0 452.502 4.924 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545835380 1067187072 /nfs/dbraw/zinc/18/70/72/1067187072.db2.gz WEMACQQFEDZUKL-REPLKXPHSA-N 0 0 466.630 4.518 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H]1CCCCC1(F)F ZINC001545835401 1067187126 /nfs/dbraw/zinc/18/71/26/1067187126.db2.gz WUADHXFIQAWBKO-INIZCTEOSA-N 0 0 469.527 4.937 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC1CC(F)(F)C1 ZINC001545835432 1067187675 /nfs/dbraw/zinc/18/76/75/1067187675.db2.gz XYFMEMBLZPZSGQ-UHFFFAOYSA-N 0 0 457.928 4.671 20 0 JJADRN CC(C)(C(=O)OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(Br)cc1 ZINC001458889889 1067187680 /nfs/dbraw/zinc/18/76/80/1067187680.db2.gz GHOVIZFMANQEGA-UHFFFAOYSA-N 0 0 452.711 4.843 20 0 JJADRN COc1cccc2c1ncc(C)c2NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001458892400 1067187698 /nfs/dbraw/zinc/18/76/98/1067187698.db2.gz IJSSLHIHVITLPC-MRXNPFEDSA-N 0 0 457.452 4.558 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001545836037 1067188400 /nfs/dbraw/zinc/18/84/00/1067188400.db2.gz YWLODUIACITPFF-BWAGFHJFSA-N 0 0 458.599 4.733 20 0 JJADRN COc1cccc2c1ncc(C)c2NC(=O)c1cc(F)c(F)cc1I ZINC001458893343 1067188517 /nfs/dbraw/zinc/18/85/17/1067188517.db2.gz LPTRVTBYDLRBLG-UHFFFAOYSA-N 0 0 454.214 4.687 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001451724177 1067188566 /nfs/dbraw/zinc/18/85/66/1067188566.db2.gz JKRMZRGQKIDDHW-ZWKOTPCHSA-N 0 0 452.389 4.724 20 0 JJADRN Cc1ccccc1-n1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC1 ZINC001458895305 1067188837 /nfs/dbraw/zinc/18/88/37/1067188837.db2.gz HHUBQQGSKCDLAW-UHFFFAOYSA-N 0 0 450.608 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001451730247 1067188859 /nfs/dbraw/zinc/18/88/59/1067188859.db2.gz GDYMIXPLCCMPIT-ICSRJNTNSA-N 0 0 451.007 4.899 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@H]1CCCc2cccnc21 ZINC001545836255 1067188877 /nfs/dbraw/zinc/18/88/77/1067188877.db2.gz HGQDWOPMAPUJQS-LJQANCHMSA-N 0 0 482.579 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1C[C@@H]1CCCCS1 ZINC001545836303 1067188890 /nfs/dbraw/zinc/18/88/90/1067188890.db2.gz IVDJZNSQFUODPO-QFIPXVFZSA-N 0 0 466.655 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1Cc1ncccc1C ZINC001545836242 1067188912 /nfs/dbraw/zinc/18/89/12/1067188912.db2.gz GZZBWPAWOYHJOQ-UHFFFAOYSA-N 0 0 474.531 4.603 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c(C)c1 ZINC001458895200 1067188904 /nfs/dbraw/zinc/18/89/04/1067188904.db2.gz RAVZLMVXLVQPGT-QHCPKHFHSA-N 0 0 456.583 4.545 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001451736753 1067189725 /nfs/dbraw/zinc/18/97/25/1067189725.db2.gz HHCDAQOEBKDVFE-YCRNBWNJSA-N 0 0 450.579 4.925 20 0 JJADRN C[C@@H]1[C@H](NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001451735735 1067189795 /nfs/dbraw/zinc/18/97/95/1067189795.db2.gz CYUSCJXBAXOXII-UEVCKROQSA-N 0 0 481.593 4.558 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCC[C@H]3Cc3ccccc3Br)c2N1 ZINC001451736642 1067189809 /nfs/dbraw/zinc/18/98/09/1067189809.db2.gz JQZMJIPXPXZGCO-HACGYAERSA-N 0 0 453.331 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Br)n1CC[C@H]1C[C@H](F)C1 ZINC001545836615 1067190082 /nfs/dbraw/zinc/19/00/82/1067190082.db2.gz SOPHNRHVVUMRHT-JCNLHEQBSA-N 0 0 480.426 4.734 20 0 JJADRN Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCC[C@@H]3Cc3ccccc3Br)C2=O)c1 ZINC001451741471 1067190051 /nfs/dbraw/zinc/19/00/51/1067190051.db2.gz SZFLLLLKDPVTPJ-TZIWHRDSSA-N 0 0 455.396 4.653 20 0 JJADRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCC[C@H]3Cc3ccccc3Br)C2=O)c1 ZINC001451741452 1067190132 /nfs/dbraw/zinc/19/01/32/1067190132.db2.gz SZFLLLLKDPVTPJ-FPOVZHCZSA-N 0 0 455.396 4.653 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Br)n1CC1(C2CC2)CC1 ZINC001545836694 1067190175 /nfs/dbraw/zinc/19/01/75/1067190175.db2.gz VYQUSHANIKEMGU-UHFFFAOYSA-N 0 0 474.447 4.786 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1cc(Br)cs1 ZINC001545836725 1067190221 /nfs/dbraw/zinc/19/02/21/1067190221.db2.gz XAQAROZSCOSYRJ-UHFFFAOYSA-N 0 0 494.434 4.844 20 0 JJADRN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451746793 1067191415 /nfs/dbraw/zinc/19/14/15/1067191415.db2.gz SYJKTFKGHUIJTD-GCOVDLRRSA-N 0 0 454.998 4.558 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)ONC(=O)OC(C)(C)C ZINC001451794107 1067191463 /nfs/dbraw/zinc/19/14/63/1067191463.db2.gz LIPIMPPCMINLJS-CQSZACIVSA-N 0 0 458.399 4.935 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458903927 1067191362 /nfs/dbraw/zinc/19/13/62/1067191362.db2.gz JSJBYDBOUYDFOB-HHHXNRCGSA-N 0 0 455.558 4.665 20 0 JJADRN CN(CCC1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2O)CC1)C(=O)OC(C)(C)C ZINC001545838650 1067192152 /nfs/dbraw/zinc/19/21/52/1067192152.db2.gz YMABNHAJERVAQI-UHFFFAOYSA-N 0 0 456.539 4.574 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C\c1cc(C)c(C)cc1C)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904686 1067192107 /nfs/dbraw/zinc/19/21/07/1067192107.db2.gz NMSARXJCZYUEHX-FVDMPLEPSA-N 0 0 459.590 4.907 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc2cc(C)c(C)cc2o1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905898 1067192130 /nfs/dbraw/zinc/19/21/30/1067192130.db2.gz QYVTWCBHZKUMRY-VWLOTQADSA-N 0 0 459.546 4.945 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(Cl)ccc1Br ZINC001458908091 1067193096 /nfs/dbraw/zinc/19/30/96/1067193096.db2.gz LBURSKPNMKDIPT-OAQYLSRUSA-N 0 0 450.760 4.883 20 0 JJADRN CN(CC(=O)NCc1ccccc1)C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001451842432 1067193924 /nfs/dbraw/zinc/19/39/24/1067193924.db2.gz CUYYYIAVWXXGJX-UHFFFAOYSA-N 0 0 453.564 4.637 20 0 JJADRN CC1(C)CCc2sc(NC(=O)CCC(=O)c3ccc(I)cc3)nc21 ZINC001451826988 1067194034 /nfs/dbraw/zinc/19/40/34/1067194034.db2.gz KPXGGRQCPCNHDI-UHFFFAOYSA-N 0 0 454.333 4.573 20 0 JJADRN CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CC)O1 ZINC001451851143 1067194062 /nfs/dbraw/zinc/19/40/62/1067194062.db2.gz OQEWALOGDORIQN-RTBURBONSA-N 0 0 450.579 4.720 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001458912622 1067194872 /nfs/dbraw/zinc/19/48/72/1067194872.db2.gz INHDPDSWVWNVLB-LJQANCHMSA-N 0 0 455.551 4.582 20 0 JJADRN Cc1cc(=O)[nH]c([C@H](C)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)n1 ZINC001458916778 1067195935 /nfs/dbraw/zinc/19/59/35/1067195935.db2.gz AECOSRFCQHEDQN-HNNXBMFYSA-N 0 0 451.577 4.521 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc2cc(F)c(Br)cc2s1 ZINC001458916356 1067195988 /nfs/dbraw/zinc/19/59/88/1067195988.db2.gz ZXDZAHWVCSYGSG-UHFFFAOYSA-N 0 0 457.346 4.632 20 0 JJADRN C[C@@H](NC(=O)COc1ccccc1I)c1ccc(Cl)c(Cl)c1 ZINC001458916049 1067196028 /nfs/dbraw/zinc/19/60/28/1067196028.db2.gz ZABYULVUGZFMLW-SNVBAGLBSA-N 0 0 450.103 4.854 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc2cc(F)c(Br)cc2s1)c1ccc(C)cc1 ZINC001458916291 1067196033 /nfs/dbraw/zinc/19/60/33/1067196033.db2.gz ZSZFOAVARVYJAX-OAHLLOKOSA-N 0 0 450.333 4.712 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@H]1COc2ccccc21 ZINC001545844144 1067196197 /nfs/dbraw/zinc/19/61/97/1067196197.db2.gz UBZDXVZTKMTUSH-ICSRJNTNSA-N 0 0 453.631 4.778 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)CSCC(=O)N(C)C3CCCCC3)cc2)c1 ZINC001458918354 1067196531 /nfs/dbraw/zinc/19/65/31/1067196531.db2.gz ULEOGUQDPIAUCZ-UHFFFAOYSA-N 0 0 454.636 4.715 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)NCC2(c3cccc(F)c3F)CCCC2)CC1 ZINC001458917766 1067196605 /nfs/dbraw/zinc/19/66/05/1067196605.db2.gz GIRJNNQWEGVJTI-UHFFFAOYSA-N 0 0 454.561 4.764 20 0 JJADRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001545845054 1067196833 /nfs/dbraw/zinc/19/68/33/1067196833.db2.gz VPDWPZNHNGRBHL-AUSIDOKSSA-N 0 0 455.599 4.507 20 0 JJADRN Cc1ccc(C2(NC(=O)C3CN(C(=O)OC(C)(C)C)C3)CCCCC2)c(Br)c1 ZINC001451905068 1067197193 /nfs/dbraw/zinc/19/71/93/1067197193.db2.gz CCGPLNBCMHBSIE-UHFFFAOYSA-N 0 0 451.405 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001451903418 1067197241 /nfs/dbraw/zinc/19/72/41/1067197241.db2.gz WXDYEUXYIAWMSB-HUUCEWRRSA-N 0 0 451.778 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001451911758 1067197261 /nfs/dbraw/zinc/19/72/61/1067197261.db2.gz GYQORULUDWCODJ-RTBURBONSA-N 0 0 459.587 4.550 20 0 JJADRN O=C(CCCCCc1ccc(F)cc1)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001458920192 1067197720 /nfs/dbraw/zinc/19/77/20/1067197720.db2.gz GBXRVMBTTLERPC-NRFANRHFSA-N 0 0 452.448 4.527 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001546034683 1067197905 /nfs/dbraw/zinc/19/79/05/1067197905.db2.gz BOFGGCRVYKMIMG-QHCPKHFHSA-N 0 0 497.684 4.938 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001451913657 1067198151 /nfs/dbraw/zinc/19/81/51/1067198151.db2.gz IVWNCCQMAJYHGD-NYEAOQTCSA-N 0 0 451.567 4.505 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)c2ccccc2)C1 ZINC001546104775 1067198805 /nfs/dbraw/zinc/19/88/05/1067198805.db2.gz IUGVPOWSGJFUPI-NVQXNPDNSA-N 0 0 456.631 4.723 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001545846787 1067199162 /nfs/dbraw/zinc/19/91/62/1067199162.db2.gz BAYZVYIQTXAXTR-QFIPXVFZSA-N 0 0 467.658 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC1CC(c2ccccc2)C1 ZINC001545847149 1067199224 /nfs/dbraw/zinc/19/92/24/1067199224.db2.gz LIJKKNSQTPYSGP-UHFFFAOYSA-N 0 0 467.658 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545848453 1067200067 /nfs/dbraw/zinc/20/00/67/1067200067.db2.gz BAQZEADNBLFLQZ-GHTZIAJQSA-N 0 0 450.631 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001545848611 1067200075 /nfs/dbraw/zinc/20/00/75/1067200075.db2.gz CYWPXPVVAMSINH-QGZVFWFLSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451941633 1067200063 /nfs/dbraw/zinc/20/00/63/1067200063.db2.gz KOHHEKLMHNCWPI-CVEARBPZSA-N 0 0 451.361 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001451946248 1067200469 /nfs/dbraw/zinc/20/04/69/1067200469.db2.gz PRKHNFYYJMEJBX-SJORKVTESA-N 0 0 450.004 4.814 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccccc2OCc2ccncc2)cc(Br)c1F ZINC001458930406 1067200473 /nfs/dbraw/zinc/20/04/73/1067200473.db2.gz JJHSUMDBUNZTDQ-UHFFFAOYSA-N 0 0 459.271 4.601 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1(C)C ZINC001451946243 1067200685 /nfs/dbraw/zinc/20/06/85/1067200685.db2.gz PRKHNFYYJMEJBX-IRXDYDNUSA-N 0 0 450.004 4.814 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1c(F)cccc1OC(F)F ZINC001545848789 1067201241 /nfs/dbraw/zinc/20/12/41/1067201241.db2.gz GKEMTRGYUPWTCC-HNNXBMFYSA-N 0 0 481.563 4.858 20 0 JJADRN O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001458935113 1067201766 /nfs/dbraw/zinc/20/17/66/1067201766.db2.gz MLJHNQZFYDKREM-LJQANCHMSA-N 0 0 451.857 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545848885 1067201673 /nfs/dbraw/zinc/20/16/73/1067201673.db2.gz HPIYPRVFGVEDSB-IYBDPMFKSA-N 0 0 481.563 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1C[C@@H](C)SC ZINC001545848982 1067202109 /nfs/dbraw/zinc/20/21/09/1067202109.db2.gz IOVQFYSHUOGDQX-CBGDNZLLSA-N 0 0 459.660 4.544 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001451989598 1067202449 /nfs/dbraw/zinc/20/24/49/1067202449.db2.gz AXRJRDJNMUTDMO-XMSQKQJNSA-N 0 0 458.521 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001545849352 1067202567 /nfs/dbraw/zinc/20/25/67/1067202567.db2.gz NOGACNGFOHWYLJ-LJQANCHMSA-N 0 0 482.673 4.834 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1c(F)cc(F)c(F)c1F ZINC001545849439 1067203127 /nfs/dbraw/zinc/20/31/27/1067203127.db2.gz OPSGQWAGIFVNKH-OHNRDTAOSA-N 0 0 481.538 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1sccc1Br ZINC001545849395 1067203234 /nfs/dbraw/zinc/20/32/34/1067203234.db2.gz ODICVLYNTDEQQT-OKILXGFUSA-N 0 0 468.465 4.551 20 0 JJADRN O=C1[C@H](Sc2nnc(Cc3ccccc3F)o2)CCN1c1cccc(OC(F)(F)F)c1 ZINC001458937806 1067203454 /nfs/dbraw/zinc/20/34/54/1067203454.db2.gz AXJMPUHKMYEHFD-MRXNPFEDSA-N 0 0 453.417 4.596 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1 ZINC001546035194 1067203673 /nfs/dbraw/zinc/20/36/73/1067203673.db2.gz NGYNMFSKQIRQDB-HXUWFJFHSA-N 0 0 463.667 4.714 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001545849513 1067203686 /nfs/dbraw/zinc/20/36/86/1067203686.db2.gz PRIGCMRRYXJZNU-LVCYWYKZSA-N 0 0 479.629 4.675 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)n1CCc1c(C)noc1C ZINC001545849651 1067203832 /nfs/dbraw/zinc/20/38/32/1067203832.db2.gz RYXIVBPWFXULLL-MZNJEOGPSA-N 0 0 494.640 4.640 20 0 JJADRN Cc1cc(Br)ccc1CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC001458943277 1067203875 /nfs/dbraw/zinc/20/38/75/1067203875.db2.gz QJWMSBLUQJTBGV-INIZCTEOSA-N 0 0 458.175 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001545849835 1067204164 /nfs/dbraw/zinc/20/41/64/1067204164.db2.gz VQIYDCZJSYVRIQ-INIZCTEOSA-N 0 0 492.064 4.788 20 0 JJADRN Cc1ccc(SCCN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)cc1C ZINC001458945084 1067204286 /nfs/dbraw/zinc/20/42/86/1067204286.db2.gz VEQHCQQQRYCPCJ-HXUWFJFHSA-N 0 0 451.361 4.764 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2F)o1 ZINC001458944645 1067204337 /nfs/dbraw/zinc/20/43/37/1067204337.db2.gz UNZOYEZADSRZHK-INIZCTEOSA-N 0 0 451.527 4.721 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001545849992 1067204652 /nfs/dbraw/zinc/20/46/52/1067204652.db2.gz XPRLVZXRHXQTFP-OALUTQOASA-N 0 0 480.657 4.608 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)n[nH]1 ZINC001452041854 1067204690 /nfs/dbraw/zinc/20/46/90/1067204690.db2.gz HRPQVSMHPOFPHN-UHFFFAOYSA-N 0 0 456.428 4.840 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001545850013 1067204806 /nfs/dbraw/zinc/20/48/06/1067204806.db2.gz YAVVIESPVJIFRM-PGRDOPGGSA-N 0 0 492.624 4.715 20 0 JJADRN O=C(OCc1ccc(I)c(Cl)c1)c1ncoc1CCC(F)(F)F ZINC001458946725 1067204818 /nfs/dbraw/zinc/20/48/18/1067204818.db2.gz CSRWKQPLUAMKCS-UHFFFAOYSA-N 0 0 459.589 4.785 20 0 JJADRN CCc1csc([C@H](C)NC(=O)c2cc(I)cc(C(F)(F)F)c2)n1 ZINC001452054825 1067205356 /nfs/dbraw/zinc/20/53/56/1067205356.db2.gz TVFPVSNDUIKRTJ-QMMMGPOBSA-N 0 0 454.255 4.820 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC001452075469 1067205885 /nfs/dbraw/zinc/20/58/85/1067205885.db2.gz GFNYXBRIADMERJ-IERDGZPVSA-N 0 0 456.999 4.636 20 0 JJADRN CCCCc1nc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c(C(=O)OCC)[nH]1 ZINC001458950486 1067206000 /nfs/dbraw/zinc/20/60/00/1067206000.db2.gz AOTQWKZJZGTDDN-LBPRGKRZSA-N 0 0 454.340 4.648 20 0 JJADRN Cc1c(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)cnn1-c1cccc(C)c1 ZINC001452073749 1067205934 /nfs/dbraw/zinc/20/59/34/1067205934.db2.gz DFBPMNGITRZFPP-YJBOKZPZSA-N 0 0 452.477 4.616 20 0 JJADRN CCOC(=O)C1=C(CSc2nc3cc(Cl)cc(C)c3o2)NC(=O)N[C@@H]1c1ccccc1 ZINC001458951537 1067206351 /nfs/dbraw/zinc/20/63/51/1067206351.db2.gz VIXMMLWLZJEUEA-GOSISDBHSA-N 0 0 457.939 4.753 20 0 JJADRN CCC1(CC)CCc2nc(NC(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC001452085450 1067206475 /nfs/dbraw/zinc/20/64/75/1067206475.db2.gz ILMUKHBYHHXDDI-HSZRJFAPSA-N 0 0 451.633 4.529 20 0 JJADRN COc1ccccc1C1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1 ZINC001452090930 1067206633 /nfs/dbraw/zinc/20/66/33/1067206633.db2.gz XLKAGICTCOIHQE-UHFFFAOYSA-N 0 0 456.951 4.569 20 0 JJADRN Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC001458952660 1067206819 /nfs/dbraw/zinc/20/68/19/1067206819.db2.gz ASFRRECGEHOWHJ-STQMWFEESA-N 0 0 456.292 4.793 20 0 JJADRN CCc1sc(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1-c1ccccc1 ZINC001458951931 1067207009 /nfs/dbraw/zinc/20/70/09/1067207009.db2.gz WOCWMFFGCFFACO-FQEVSTJZSA-N 0 0 452.576 4.520 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCC(=O)OCc2cc(Cl)c(Cl)c(Cl)c2)cc1 ZINC001458952570 1067207025 /nfs/dbraw/zinc/20/70/25/1067207025.db2.gz XNZGZYJXJGLHNK-UHFFFAOYSA-N 0 0 451.755 4.953 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NCCCCCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC001452096863 1067207024 /nfs/dbraw/zinc/20/70/24/1067207024.db2.gz YDXFPDDPDFQVPM-MRXNPFEDSA-N 0 0 457.409 4.726 20 0 JJADRN CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001452094397 1067207151 /nfs/dbraw/zinc/20/71/51/1067207151.db2.gz HYAXAGGCVACXEY-BEFAXECRSA-N 0 0 450.373 4.564 20 0 JJADRN CC(C)c1cnc(SCC(=O)N(C)CCOc2ccc(Br)cc2)n1C(C)C ZINC001458953916 1067207549 /nfs/dbraw/zinc/20/75/49/1067207549.db2.gz HOYXPAVNIUPZBU-UHFFFAOYSA-N 0 0 454.434 4.979 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001546035784 1067207767 /nfs/dbraw/zinc/20/77/67/1067207767.db2.gz ZMQISJDSXBALPG-OAQYLSRUSA-N 0 0 477.657 4.509 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001452130959 1067208311 /nfs/dbraw/zinc/20/83/11/1067208311.db2.gz KFRUEIJZYPWPMB-PJVZLEMVSA-N 0 0 455.640 4.561 20 0 JJADRN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC001452126555 1067208322 /nfs/dbraw/zinc/20/83/22/1067208322.db2.gz GCLVIXUZXACXSM-FUHWJXTLSA-N 0 0 453.364 4.929 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001452130955 1067208336 /nfs/dbraw/zinc/20/83/36/1067208336.db2.gz KFRUEIJZYPWPMB-JKEDJMADSA-N 0 0 455.640 4.561 20 0 JJADRN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC001452126573 1067208399 /nfs/dbraw/zinc/20/83/99/1067208399.db2.gz GCLVIXUZXACXSM-WMZOPIPTSA-N 0 0 453.364 4.929 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001458956319 1067208568 /nfs/dbraw/zinc/20/85/68/1067208568.db2.gz IEBIHQUQFZMVNN-JTQLQIEISA-N 0 0 451.957 4.655 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001452139064 1067208822 /nfs/dbraw/zinc/20/88/22/1067208822.db2.gz RRCAWQABRJUPJA-DHIUTWEWSA-N 0 0 454.636 4.762 20 0 JJADRN Nn1c(S[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cncc(Br)c1 ZINC001458958123 1067208882 /nfs/dbraw/zinc/20/88/82/1067208882.db2.gz IQUMMGUESIGDQP-SFHVURJKSA-N 0 0 456.344 4.837 20 0 JJADRN Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)c3nc(F)ccc3Br)c12 ZINC001458959450 1067208962 /nfs/dbraw/zinc/20/89/62/1067208962.db2.gz LCUSPOQXJIJEHJ-UHFFFAOYSA-N 0 0 454.303 4.895 20 0 JJADRN CCn1cc(Br)cc1C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452147415 1067209505 /nfs/dbraw/zinc/20/95/05/1067209505.db2.gz IMMFEBPLVJVOTB-UHFFFAOYSA-N 0 0 456.163 4.804 20 0 JJADRN C[C@@H](CN(C)C(=O)c1c(NC(=O)OC(C)(C)C)cnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC001458960025 1067209530 /nfs/dbraw/zinc/20/95/30/1067209530.db2.gz RABORFFDJJQPJK-LBPRGKRZSA-N 0 0 457.358 4.613 20 0 JJADRN C[C@@H](CN(C)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001458960036 1067209550 /nfs/dbraw/zinc/20/95/50/1067209550.db2.gz RCCWCGFIUVXCIK-LBPRGKRZSA-N 0 0 456.757 4.716 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1CC1 ZINC001458961441 1067210043 /nfs/dbraw/zinc/21/00/43/1067210043.db2.gz OEFCLZQEVFEEOA-MDZRGWNJSA-N 0 0 470.393 4.957 20 0 JJADRN CCCN(C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C)[C@@H](COC)C(=O)OCC ZINC001458962081 1067210057 /nfs/dbraw/zinc/21/00/57/1067210057.db2.gz ILEALYUJTBYBAQ-INIZCTEOSA-N 0 0 459.395 4.856 20 0 JJADRN CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc(C)cc1I ZINC001458962819 1067210452 /nfs/dbraw/zinc/21/04/52/1067210452.db2.gz XMABGARQVZOVCM-KRWDZBQOSA-N 0 0 453.320 4.645 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)c1cc2c(cncc2Br)s1)C1CC1 ZINC001452161814 1067210983 /nfs/dbraw/zinc/21/09/83/1067210983.db2.gz QNXHEBCYWNYJGL-UHFFFAOYSA-N 0 0 454.390 4.578 20 0 JJADRN CC(C)[C@](C)(NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001458964033 1067210987 /nfs/dbraw/zinc/21/09/87/1067210987.db2.gz KYQOJVFJEOHSKX-REWPJTCUSA-N 0 0 459.384 4.868 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cnc2n1[C@@H](C)CCC2)C1CC1 ZINC001458963768 1067211057 /nfs/dbraw/zinc/21/10/57/1067211057.db2.gz PKRSJIAAGMBVCE-RNODOKPDSA-N 0 0 450.366 4.996 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)C1CC1 ZINC001452158139 1067211075 /nfs/dbraw/zinc/21/10/75/1067211075.db2.gz FWMFODQLSUZHKP-UHFFFAOYSA-N 0 0 456.505 4.913 20 0 JJADRN COc1cccc([C@@H]2[C@H](C(=O)Oc3cc(C)c(Br)c(C)c3)CC(=O)N2C2CC2)c1 ZINC001458965541 1067211568 /nfs/dbraw/zinc/21/15/68/1067211568.db2.gz ZHYJEKDTRLBSRK-DENIHFKCSA-N 0 0 458.352 4.732 20 0 JJADRN CC(C)(C)OC(=O)N(CCCNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)C1CC1 ZINC001452163200 1067211570 /nfs/dbraw/zinc/21/15/70/1067211570.db2.gz ZBUGLOJRFATLSQ-UHFFFAOYSA-N 0 0 451.567 4.708 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452177634 1067212116 /nfs/dbraw/zinc/21/21/16/1067212116.db2.gz JJDLOFQNRCVTLN-HSZRJFAPSA-N 0 0 459.464 4.947 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001546036635 1067212816 /nfs/dbraw/zinc/21/28/16/1067212816.db2.gz CHERCWLGJUUDQC-SFHVURJKSA-N 0 0 474.955 4.621 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1 ZINC001458971265 1067213697 /nfs/dbraw/zinc/21/36/97/1067213697.db2.gz AXGYFGXXEUKASL-OAHLLOKOSA-N 0 0 459.568 4.765 20 0 JJADRN COC(=O)c1cccc2c1CN(C(=O)C(C)(C)c1csc(-c3cc(F)ccc3F)n1)CC2 ZINC001452196728 1067213637 /nfs/dbraw/zinc/21/36/37/1067213637.db2.gz URKSCXSWPDLBTE-UHFFFAOYSA-N 0 0 456.514 4.737 20 0 JJADRN O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001458972504 1067213866 /nfs/dbraw/zinc/21/38/66/1067213866.db2.gz HQQADRDPCDVQPE-UHFFFAOYSA-N 0 0 458.565 4.830 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC001452222015 1067214156 /nfs/dbraw/zinc/21/41/56/1067214156.db2.gz GOADWXJRGCULDE-UONOGXRCSA-N 0 0 454.493 4.621 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001546036827 1067214183 /nfs/dbraw/zinc/21/41/83/1067214183.db2.gz KOYNOOVSULSZCB-UHFFFAOYSA-N 0 0 466.651 4.889 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c12 ZINC001452227343 1067214631 /nfs/dbraw/zinc/21/46/31/1067214631.db2.gz IRJATQGSINBFRS-JKSUJKDBSA-N 0 0 452.555 4.928 20 0 JJADRN C[C@@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC001458975574 1067214703 /nfs/dbraw/zinc/21/47/03/1067214703.db2.gz DJCNUWZTYNEJCH-HZPDHXFCSA-N 0 0 451.983 4.886 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c12 ZINC001452227335 1067214799 /nfs/dbraw/zinc/21/47/99/1067214799.db2.gz IRJATQGSINBFRS-HZPDHXFCSA-N 0 0 452.555 4.928 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001452226542 1067214808 /nfs/dbraw/zinc/21/48/08/1067214808.db2.gz IDOABNXHKHSWGS-QZTJIDSGSA-N 0 0 456.587 4.601 20 0 JJADRN Cc1nc2cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001452232252 1067215087 /nfs/dbraw/zinc/21/50/87/1067215087.db2.gz KUGIDMLCKBOUQH-JKSUJKDBSA-N 0 0 456.612 4.876 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ncc(-c3ccc(F)cc3)s2)C1 ZINC001458976447 1067215167 /nfs/dbraw/zinc/21/51/67/1067215167.db2.gz YFSABQSRPNACOJ-GOSISDBHSA-N 0 0 453.539 4.595 20 0 JJADRN CC(C)(C)c1nc(C(=O)OCc2ccc(I)c(C(F)(F)F)c2)co1 ZINC001458979704 1067216201 /nfs/dbraw/zinc/21/62/01/1067216201.db2.gz HFYDTCSRRITYNG-UHFFFAOYSA-N 0 0 453.198 4.953 20 0 JJADRN CCCC[C@@](C)(CO)NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001452259348 1067216812 /nfs/dbraw/zinc/21/68/12/1067216812.db2.gz VNHKSKOUWUFDIV-FQEVSTJZSA-N 0 0 452.502 4.686 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(C)c1 ZINC001546037366 1067217324 /nfs/dbraw/zinc/21/73/24/1067217324.db2.gz CCCDOBBWVPDWMK-XMMPIXPASA-N 0 0 459.619 4.952 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)c(C)n1[C@H]1CCCOC1 ZINC001452270841 1067217339 /nfs/dbraw/zinc/21/73/39/1067217339.db2.gz CIADSQVLZSVMFM-OEMFJLHTSA-N 0 0 452.595 4.654 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)COc3ccc(F)cc3)nnc2-c2ccco2)cc1 ZINC001458981749 1067217646 /nfs/dbraw/zinc/21/76/46/1067217646.db2.gz NUASMJJZQBVGJF-UHFFFAOYSA-N 0 0 453.495 4.805 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452275863 1067217853 /nfs/dbraw/zinc/21/78/53/1067217853.db2.gz WTMNDGGHSFFNHV-LEWJYISDSA-N 0 0 458.396 4.884 20 0 JJADRN COC(=O)c1ccc(OCCSc2nc3cc(Br)c(C)nc3[nH]2)c(Cl)c1 ZINC001458982674 1067217827 /nfs/dbraw/zinc/21/78/27/1067217827.db2.gz RFVCKTMJNCRLQP-UHFFFAOYSA-N 0 0 456.749 4.640 20 0 JJADRN COc1cccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC001458983073 1067218142 /nfs/dbraw/zinc/21/81/42/1067218142.db2.gz CSQWFFNREMUUCH-QGZVFWFLSA-N 0 0 451.596 4.651 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001452277600 1067218256 /nfs/dbraw/zinc/21/82/56/1067218256.db2.gz ZBOYWBJKZCYHIP-XZOQPEGZSA-N 0 0 476.573 4.867 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1)c1ccc(Br)cc1 ZINC001452317022 1067219344 /nfs/dbraw/zinc/21/93/44/1067219344.db2.gz MAKVAUZABRSHJV-LJQANCHMSA-N 0 0 455.356 4.662 20 0 JJADRN Cc1onc(OC(F)F)c1NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001458986346 1067220135 /nfs/dbraw/zinc/22/01/35/1067220135.db2.gz HEKNSZVWSADMHC-UHFFFAOYSA-N 0 0 450.751 4.754 20 0 JJADRN CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001452343249 1067220211 /nfs/dbraw/zinc/22/02/11/1067220211.db2.gz HAPJACYRFRYWIX-UHFFFAOYSA-N 0 0 459.300 4.567 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)[C@H](C)Oc2cccc(Br)c2)c1 ZINC001458987012 1067220667 /nfs/dbraw/zinc/22/06/67/1067220667.db2.gz AFIJLDJJCWXVHP-LBPRGKRZSA-N 0 0 457.162 4.646 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)Sc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC001458987359 1067220735 /nfs/dbraw/zinc/22/07/35/1067220735.db2.gz XHCSJIQCKUINLA-FQEVSTJZSA-N 0 0 455.486 4.741 20 0 JJADRN CS(=O)(=O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC001458987445 1067221067 /nfs/dbraw/zinc/22/10/67/1067221067.db2.gz XLLCIWIJJNATOC-UHFFFAOYSA-N 0 0 456.980 4.679 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@H](c2cccnc2)C1)NC(=O)OC(C)(C)C ZINC001452396408 1067221372 /nfs/dbraw/zinc/22/13/72/1067221372.db2.gz XBMAPCYOMRFVFE-RBBKRZOGSA-N 0 0 453.583 4.842 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC001452395091 1067221456 /nfs/dbraw/zinc/22/14/56/1067221456.db2.gz DAXMBORHOGQCNU-UHFFFAOYSA-N 0 0 454.552 4.703 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC001458989282 1067221621 /nfs/dbraw/zinc/22/16/21/1067221621.db2.gz LLMNUWLCCXWIIY-JOCHJYFZSA-N 0 0 456.608 4.514 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H]2CCC3(CCCCC3)O2)[C@@H]1c1ccccc1OC ZINC001458990470 1067222122 /nfs/dbraw/zinc/22/21/22/1067222122.db2.gz PSPDQHDNRZJQSK-KJWPAHLWSA-N 0 0 456.627 4.773 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(SCc4cccc(C)c4Br)n3N)n[nH]2)cc1 ZINC001458990815 1067222153 /nfs/dbraw/zinc/22/21/53/1067222153.db2.gz STZKGMRTPFQWOG-UHFFFAOYSA-N 0 0 455.385 4.721 20 0 JJADRN COc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc(F)ccc3F)nnc2-c2ccco2)cc1 ZINC001458992159 1067222591 /nfs/dbraw/zinc/22/25/91/1067222591.db2.gz GEJZAHRSMQQFGG-CYBMUJFWSA-N 0 0 456.474 4.933 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001452421780 1067222891 /nfs/dbraw/zinc/22/28/91/1067222891.db2.gz RTYFOAAUDQUZSA-RLGUWMIQSA-N 0 0 456.411 4.619 20 0 JJADRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2N)c1 ZINC001458993898 1067222953 /nfs/dbraw/zinc/22/29/53/1067222953.db2.gz XSLZQBIZZBMOSH-LLVKDONJSA-N 0 0 455.893 4.759 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccnn1C ZINC001458993131 1067222999 /nfs/dbraw/zinc/22/29/99/1067222999.db2.gz LAHYZKPFDIZBGV-GCJKJVERSA-N 0 0 456.384 4.859 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccnn1C ZINC001458993134 1067223012 /nfs/dbraw/zinc/22/30/12/1067223012.db2.gz LAHYZKPFDIZBGV-XMSQKQJNSA-N 0 0 456.384 4.859 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC001458995690 1067223917 /nfs/dbraw/zinc/22/39/17/1067223917.db2.gz NJVCVEHRGLHZMG-MRXNPFEDSA-N 0 0 457.741 4.907 20 0 JJADRN COC(=O)c1cn(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c(C)n1 ZINC001458996326 1067224378 /nfs/dbraw/zinc/22/43/78/1067224378.db2.gz KQOUBCUFKOPENE-UHFFFAOYSA-N 0 0 451.324 4.642 20 0 JJADRN C[C@H](NC(=O)COc1cccc(F)c1I)c1ccc2c(c1)CCCC2 ZINC001458996680 1067224389 /nfs/dbraw/zinc/22/43/89/1067224389.db2.gz OCWNNIIPHRMGNA-ZDUSSCGKSA-N 0 0 453.295 4.565 20 0 JJADRN O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001452445122 1067224385 /nfs/dbraw/zinc/22/43/85/1067224385.db2.gz SZCFUGDDJLUTRV-LEWJYISDSA-N 0 0 455.352 4.702 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001458998271 1067224758 /nfs/dbraw/zinc/22/47/58/1067224758.db2.gz YNJAARVXCMMBSF-LLVKDONJSA-N 0 0 459.237 4.989 20 0 JJADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001546038724 1067224856 /nfs/dbraw/zinc/22/48/56/1067224856.db2.gz XIXUFMBKIDWPFH-IBGZPJMESA-N 0 0 477.694 4.692 20 0 JJADRN Cc1csc(C(=O)NCc2ccc(Oc3ccccc3)cn2)c1I ZINC001452456795 1067225876 /nfs/dbraw/zinc/22/58/76/1067225876.db2.gz FIOINDHQIXSBNE-UHFFFAOYSA-N 0 0 450.301 4.778 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2cc(=O)[nH]c(SC)n2)cc1 ZINC001452467538 1067226281 /nfs/dbraw/zinc/22/62/81/1067226281.db2.gz AGTVXIUTCFOYCH-UHFFFAOYSA-N 0 0 459.575 4.558 20 0 JJADRN O=C(NC[C@H]1CCc2cccnc21)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001452477472 1067226390 /nfs/dbraw/zinc/22/63/90/1067226390.db2.gz FVYKUVARWUQCNY-VGSWGCGISA-N 0 0 455.327 4.950 20 0 JJADRN COc1cccc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)sc21 ZINC001452482963 1067226852 /nfs/dbraw/zinc/22/68/52/1067226852.db2.gz DEXCYRAJHIIMBU-UHFFFAOYSA-N 0 0 453.545 4.666 20 0 JJADRN COc1ccc(-n2c(S[C@H](C)C(=O)c3cc(F)ccc3F)nnc2-c2ccccn2)cc1 ZINC001459003346 1067227129 /nfs/dbraw/zinc/22/71/29/1067227129.db2.gz WMWDQMBTZREOGA-CQSZACIVSA-N 0 0 452.486 4.980 20 0 JJADRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC001452489348 1067227289 /nfs/dbraw/zinc/22/72/89/1067227289.db2.gz WTVOORXFJSMXLR-BTYIYWSLSA-N 0 0 459.514 4.983 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)NCCCc1nc(-c2ccccn2)cs1 ZINC001452489639 1067227626 /nfs/dbraw/zinc/22/76/26/1067227626.db2.gz DFZSTPWUEIYVNG-UHFFFAOYSA-N 0 0 450.589 4.532 20 0 JJADRN Cc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)ccc1-n1cccn1 ZINC001459005774 1067227745 /nfs/dbraw/zinc/22/77/45/1067227745.db2.gz SJHADETZCDCYII-UHFFFAOYSA-N 0 0 454.368 4.765 20 0 JJADRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC001452489368 1067227718 /nfs/dbraw/zinc/22/77/18/1067227718.db2.gz WTVOORXFJSMXLR-YCRPNKLZSA-N 0 0 459.514 4.983 20 0 JJADRN C[C@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452491446 1067227733 /nfs/dbraw/zinc/22/77/33/1067227733.db2.gz FDZSIYBFTKXXKZ-WQTXXOFMSA-N 0 0 451.563 4.746 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452489825 1067227777 /nfs/dbraw/zinc/22/77/77/1067227777.db2.gz AWYXKMSIENHJRQ-JBINPLMMSA-N 0 0 478.674 4.778 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452495242 1067228098 /nfs/dbraw/zinc/22/80/98/1067228098.db2.gz KGWGYWNUFQGFNV-MTHXSQLBSA-N 0 0 452.636 4.579 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 ZINC001459008227 1067228293 /nfs/dbraw/zinc/22/82/93/1067228293.db2.gz LYKQBKLUHRRODR-UHFFFAOYSA-N 0 0 456.608 4.864 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001459006259 1067228304 /nfs/dbraw/zinc/22/83/04/1067228304.db2.gz UHTOISKZDQTAIR-RUZDIDTESA-N 0 0 452.558 4.976 20 0 JJADRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452496859 1067228574 /nfs/dbraw/zinc/22/85/74/1067228574.db2.gz PVQPBQXMBNZRRL-UHFFFAOYSA-N 0 0 452.527 4.850 20 0 JJADRN C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497072 1067228609 /nfs/dbraw/zinc/22/86/09/1067228609.db2.gz LWGBAUNHRBMOAH-UHOFOFEASA-N 0 0 477.399 4.825 20 0 JJADRN C[C@H](NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497341 1067228626 /nfs/dbraw/zinc/22/86/26/1067228626.db2.gz MSPGKCSWLDSPQC-QPXFEBASSA-N 0 0 464.647 4.698 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 ZINC001459010790 1067228646 /nfs/dbraw/zinc/22/86/46/1067228646.db2.gz UNOYNPHVOPRYHN-QPPBQGQZSA-N 0 0 450.560 4.831 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 ZINC001459011524 1067228674 /nfs/dbraw/zinc/22/86/74/1067228674.db2.gz UNOYNPHVOPRYHN-ZJSXRUAMSA-N 0 0 450.560 4.831 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCCn1cnc2cc(F)c(Br)cc2c1=O ZINC001459010179 1067228721 /nfs/dbraw/zinc/22/87/21/1067228721.db2.gz NMXMKLLJDBUAGI-UHFFFAOYSA-N 0 0 456.356 4.773 20 0 JJADRN Cc1ccc([C@@]2(C)NC(=O)N(Cc3csc(COc4ccc(Cl)cc4)n3)C2=O)c(C)c1 ZINC001459011270 1067228813 /nfs/dbraw/zinc/22/88/13/1067228813.db2.gz SFGJFTJNHISESX-HSZRJFAPSA-N 0 0 455.967 4.960 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001459013855 1067228831 /nfs/dbraw/zinc/22/88/31/1067228831.db2.gz MNTFYGJUHSHZJH-RHSMWYFYSA-N 0 0 450.423 4.996 20 0 JJADRN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC001459016335 1067229120 /nfs/dbraw/zinc/22/91/20/1067229120.db2.gz UZWLMHZLKGTAJN-UHFFFAOYSA-N 0 0 451.475 4.767 20 0 JJADRN COC[C@H](CC(C)(C)C)NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452499386 1067229488 /nfs/dbraw/zinc/22/94/88/1067229488.db2.gz RLUDESCACJVBEK-OALUTQOASA-N 0 0 452.595 4.729 20 0 JJADRN COc1cc(/C=C/C(=O)NCc2cccc(Br)c2C)cc(Br)c1O ZINC001452501088 1067229548 /nfs/dbraw/zinc/22/95/48/1067229548.db2.gz CSZNSQKZVOCUKE-VOTSOKGWSA-N 0 0 455.146 4.564 20 0 JJADRN COC[C@@H](CC(C)(C)C)NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452499390 1067229578 /nfs/dbraw/zinc/22/95/78/1067229578.db2.gz RLUDESCACJVBEK-RTBURBONSA-N 0 0 452.595 4.729 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(c3ccccn3)=NO1)CC(C)(C)CC2 ZINC001459016611 1067229713 /nfs/dbraw/zinc/22/97/13/1067229713.db2.gz IQBHSIQWABMRDH-KRWDZBQOSA-N 0 0 455.580 4.745 20 0 JJADRN CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001546039819 1067230586 /nfs/dbraw/zinc/23/05/86/1067230586.db2.gz MIZJPESARNKGFV-UHFFFAOYSA-N 0 0 454.537 4.620 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1cc(F)cc(F)c1Br ZINC001459023190 1067230624 /nfs/dbraw/zinc/23/06/24/1067230624.db2.gz DEEMLOOXKVCCIF-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)c1cnn(-c2ccccc2)c1Br ZINC001459022349 1067230663 /nfs/dbraw/zinc/23/06/63/1067230663.db2.gz AATFBUUPNFMUPY-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN COC(=O)c1nc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCC(C)(C)C3)cs1 ZINC001459021836 1067230675 /nfs/dbraw/zinc/23/06/75/1067230675.db2.gz ZQGWIIPPESYWNR-UHFFFAOYSA-N 0 0 450.582 4.714 20 0 JJADRN COc1ccc(OCC(=O)NCc2ccccc2COc2ccccc2)c(Br)c1 ZINC001459025334 1067231291 /nfs/dbraw/zinc/23/12/91/1067231291.db2.gz KLJDWJLNPXXTGQ-UHFFFAOYSA-N 0 0 456.336 4.732 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC001459024698 1067231325 /nfs/dbraw/zinc/23/13/25/1067231325.db2.gz APMKQYMUPVZVNZ-UHFFFAOYSA-N 0 0 456.524 4.617 20 0 JJADRN CCCc1nc(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)nn1-c1ccccc1Cl ZINC001459024972 1067231387 /nfs/dbraw/zinc/23/13/87/1067231387.db2.gz PEHUDLWSXFDDNW-UHFFFAOYSA-N 0 0 456.377 4.991 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCCCC[C@@H]2CO)c1=S ZINC001452528120 1067231677 /nfs/dbraw/zinc/23/16/77/1067231677.db2.gz AAVKOIHBATWWTQ-LJQANCHMSA-N 0 0 451.036 4.688 20 0 JJADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459028212 1067232237 /nfs/dbraw/zinc/23/22/37/1067232237.db2.gz YMCKVDZVIIDSHV-AWEZNQCLSA-N 0 0 453.954 4.748 20 0 JJADRN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 ZINC001459027118 1067232280 /nfs/dbraw/zinc/23/22/80/1067232280.db2.gz RYJCMCIFGCKOJU-UHFFFAOYSA-N 0 0 458.562 4.738 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C)c2cccs2)cc1 ZINC001459027423 1067232336 /nfs/dbraw/zinc/23/23/36/1067232336.db2.gz DBOYMQORYQDZJG-HNNXBMFYSA-N 0 0 454.573 4.757 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(F)c1F ZINC001546105702 1067232630 /nfs/dbraw/zinc/23/26/30/1067232630.db2.gz STBKCKYYXICXQH-UHFFFAOYSA-N 0 0 452.866 4.685 20 0 JJADRN COCCOc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)nc2ccccc21 ZINC001459029106 1067232691 /nfs/dbraw/zinc/23/26/91/1067232691.db2.gz CZKJCSNZONDMEO-CQSZACIVSA-N 0 0 459.340 4.522 20 0 JJADRN CN(CCOc1ccc(Cl)cc1)C(=O)CSCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459028294 1067232789 /nfs/dbraw/zinc/23/27/89/1067232789.db2.gz CXTFVFJJGBLNMB-UHFFFAOYSA-N 0 0 457.036 4.558 20 0 JJADRN O=C(N[C@H](C1CC1)C1(CO)CCOCC1)c1sc2cc(Br)ccc2c1Cl ZINC001452548283 1067233039 /nfs/dbraw/zinc/23/30/39/1067233039.db2.gz GQIYGLSYHPYGNF-QGZVFWFLSA-N 0 0 458.805 4.615 20 0 JJADRN O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1sc2cc(Br)ccc2c1Cl ZINC001452548276 1067233257 /nfs/dbraw/zinc/23/32/57/1067233257.db2.gz GQIYGLSYHPYGNF-KRWDZBQOSA-N 0 0 458.805 4.615 20 0 JJADRN COC1(OC)CC2(CN(C(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)[C@@H]2c2ccccc2)C1 ZINC001452554392 1067233678 /nfs/dbraw/zinc/23/36/78/1067233678.db2.gz AITGJMAMEASDJU-OAQYLSRUSA-N 0 0 454.542 4.777 20 0 JJADRN CC(C)[C@@H](NC(=O)CCCCc1ccc(I)cc1)C1(CO)CCCC1 ZINC001452556343 1067233706 /nfs/dbraw/zinc/23/37/06/1067233706.db2.gz HWEPXMSRSJZVQR-HXUWFJFHSA-N 0 0 457.396 4.698 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nc(C4CC4)c[nH]3)ccc2C)cc1 ZINC001452553090 1067233739 /nfs/dbraw/zinc/23/37/39/1067233739.db2.gz FPJANVOALHKWNW-UHFFFAOYSA-N 0 0 452.580 4.991 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 ZINC001459031877 1067234318 /nfs/dbraw/zinc/23/43/18/1067234318.db2.gz HKPNJFPFMNAZDR-IBGZPJMESA-N 0 0 458.274 4.719 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cc1Br ZINC001452565019 1067234729 /nfs/dbraw/zinc/23/47/29/1067234729.db2.gz OQVWQNHPQIADIP-KRWDZBQOSA-N 0 0 459.222 4.857 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001459033360 1067234806 /nfs/dbraw/zinc/23/48/06/1067234806.db2.gz YQMNHKJFIXPHBG-NWDGAFQWSA-N 0 0 452.454 4.991 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001459033313 1067234832 /nfs/dbraw/zinc/23/48/32/1067234832.db2.gz MBNVYSPTPXQGGO-HRAATJIYSA-N 0 0 454.979 4.934 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC001459033362 1067234920 /nfs/dbraw/zinc/23/49/20/1067234920.db2.gz YQMNHKJFIXPHBG-VXGBXAGGSA-N 0 0 452.454 4.991 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001459033361 1067234930 /nfs/dbraw/zinc/23/49/30/1067234930.db2.gz YQMNHKJFIXPHBG-RYUDHWBXSA-N 0 0 452.454 4.991 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cn1c2cc(C(F)(F)F)ccc2nc(C(F)(F)F)c1=O ZINC001459033210 1067234946 /nfs/dbraw/zinc/23/49/46/1067234946.db2.gz XOMZHVQYJZHYQV-NEPJUHHUSA-N 0 0 479.421 4.937 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cn1)c1ccccc1 ZINC001452568722 1067235267 /nfs/dbraw/zinc/23/52/67/1067235267.db2.gz PIIHZYLWTGWELW-DZFGPLHGSA-N 0 0 451.567 4.787 20 0 JJADRN CN(C)c1ccc(-n2ccnc2S[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC001459035128 1067235299 /nfs/dbraw/zinc/23/52/99/1067235299.db2.gz VGXMHCMGPSTCRJ-IBGZPJMESA-N 0 0 457.397 4.598 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC001459034828 1067235442 /nfs/dbraw/zinc/23/54/42/1067235442.db2.gz NPLDTJZMNQURPS-LEOXJPRUSA-N 0 0 458.986 4.970 20 0 JJADRN CC(C)n1cc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cn1 ZINC001452590987 1067235603 /nfs/dbraw/zinc/23/56/03/1067235603.db2.gz NORVRNZRTKIYCP-HXUWFJFHSA-N 0 0 451.365 4.605 20 0 JJADRN C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C[C@H]1C(C)(C)C ZINC001452600189 1067235688 /nfs/dbraw/zinc/23/56/88/1067235688.db2.gz NPZMLQXBCZBMOX-FQEVSTJZSA-N 0 0 458.400 4.504 20 0 JJADRN O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC001452593537 1067235736 /nfs/dbraw/zinc/23/57/36/1067235736.db2.gz IZTRFYIXRKVVHN-PZJWPPBQSA-N 0 0 458.331 4.502 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2F)c(C)c1 ZINC001459036690 1067235765 /nfs/dbraw/zinc/23/57/65/1067235765.db2.gz DHIBIEKFYBBMFJ-UHFFFAOYSA-N 0 0 450.333 4.822 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC001459038639 1067236210 /nfs/dbraw/zinc/23/62/10/1067236210.db2.gz VIIOASZHXXBTAD-UHFFFAOYSA-N 0 0 450.033 4.601 20 0 JJADRN CC[C@H](O)[C@@H]1CCCCN1C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC001452604978 1067236248 /nfs/dbraw/zinc/23/62/48/1067236248.db2.gz RMELPBIROHZHBM-HKUYNNGSSA-N 0 0 455.908 4.799 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)n[nH]2)s1 ZINC001452604028 1067236352 /nfs/dbraw/zinc/23/63/52/1067236352.db2.gz RQXCGODWPZBIDD-UHFFFAOYSA-N 0 0 452.580 4.921 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2c(C)onc2-c2cccc(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452612715 1067236857 /nfs/dbraw/zinc/23/68/57/1067236857.db2.gz JLPCJDPFFVRMMS-RBUKOAKNSA-N 0 0 459.329 4.986 20 0 JJADRN CCCCOc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)cc1OCC ZINC001452613814 1067237234 /nfs/dbraw/zinc/23/72/34/1067237234.db2.gz SRKLDCKXHIUFAG-LEWJYISDSA-N 0 0 459.970 4.946 20 0 JJADRN Cc1[nH]nc(NC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)c1Cl ZINC001452613998 1067237349 /nfs/dbraw/zinc/23/73/49/1067237349.db2.gz XWWAYLJMYDZTFT-UHFFFAOYSA-N 0 0 453.749 4.629 20 0 JJADRN C[C@]1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)C[C@@H]1c1ccccc1 ZINC001546105849 1067237876 /nfs/dbraw/zinc/23/78/76/1067237876.db2.gz YYIGBGUPNWZTIW-XXBNENTESA-N 0 0 456.951 4.979 20 0 JJADRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1c[nH]nc1I ZINC001546040880 1067237878 /nfs/dbraw/zinc/23/78/78/1067237878.db2.gz NVOYTXVYOVDEPP-MJGOQNOKSA-N 0 0 457.315 4.606 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452627767 1067238368 /nfs/dbraw/zinc/23/83/68/1067238368.db2.gz BKQIGHNLDQMIGP-CQSZACIVSA-N 0 0 456.732 4.561 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C[C@H]1c1ccccc1 ZINC001452626635 1067238395 /nfs/dbraw/zinc/23/83/95/1067238395.db2.gz IADKWUDTTUIWJZ-ZWKOTPCHSA-N 0 0 460.477 4.858 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)n[nH]1 ZINC001452636892 1067238787 /nfs/dbraw/zinc/23/87/87/1067238787.db2.gz XBVKPKVMKZKKKY-NRFANRHFSA-N 0 0 452.599 4.869 20 0 JJADRN CC[C@H](CC(F)(F)F)C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001459050244 1067239263 /nfs/dbraw/zinc/23/92/63/1067239263.db2.gz VYMNOGIBIGMMSR-UKRRQHHQSA-N 0 0 452.311 4.944 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 ZINC001546041396 1067239339 /nfs/dbraw/zinc/23/93/39/1067239339.db2.gz APTLXYCRAPKZNA-RUZDIDTESA-N 0 0 458.647 4.711 20 0 JJADRN O=C(NCCCc1c(Cl)cccc1Cl)c1cc(I)ccc1O ZINC001452643315 1067239426 /nfs/dbraw/zinc/23/94/26/1067239426.db2.gz LBHIYNQSXQMCCI-UHFFFAOYSA-N 0 0 450.103 4.666 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 ZINC001452637176 1067239460 /nfs/dbraw/zinc/23/94/60/1067239460.db2.gz VSUJYDXKVWHMNS-DJEJFTSGSA-N 0 0 488.843 4.989 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)Nc3ccc(Br)c(CO)c3)cc2)c(OC)c1 ZINC001452642099 1067239469 /nfs/dbraw/zinc/23/94/69/1067239469.db2.gz GBBZISQKPUVFQD-UHFFFAOYSA-N 0 0 457.324 4.955 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001546041481 1067239766 /nfs/dbraw/zinc/23/97/66/1067239766.db2.gz DJJQZMKTMGMTDM-GOSISDBHSA-N 0 0 489.089 4.577 20 0 JJADRN CCn1c(CSCCSC(C)(C)C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001459053773 1067240156 /nfs/dbraw/zinc/24/01/56/1067240156.db2.gz MDYQNMVRTGLDML-UHFFFAOYSA-N 0 0 455.715 4.996 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)O[C@H](Cc2ccc(F)cc2)C(F)(F)F)c(Cl)cc1Cl ZINC001459054243 1067240164 /nfs/dbraw/zinc/24/01/64/1067240164.db2.gz UKZUXRSMZZQKLW-OAHLLOKOSA-N 0 0 459.244 4.866 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001546041626 1067240400 /nfs/dbraw/zinc/24/04/00/1067240400.db2.gz ISPIOJVNQJLCFU-HOTGVXAUSA-N 0 0 483.476 4.501 20 0 JJADRN COc1cc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(F)(F)F)cc(Br)c1OC ZINC001459055111 1067240584 /nfs/dbraw/zinc/24/05/84/1067240584.db2.gz VZQYLYMAYWUMDP-HNNXBMFYSA-N 0 0 451.210 4.936 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c(F)c1 ZINC001452653192 1067240945 /nfs/dbraw/zinc/24/09/45/1067240945.db2.gz QYYMOXATBXQHCX-HXUWFJFHSA-N 0 0 450.551 4.605 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3cnn(-c4ccccc4)c3Br)CC2)n1 ZINC001452651523 1067240988 /nfs/dbraw/zinc/24/09/88/1067240988.db2.gz FLTPZMNSCXDNHO-UHFFFAOYSA-N 0 0 459.413 4.749 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC(Cc2nc(CC)cs2)CC1 ZINC001452657904 1067241244 /nfs/dbraw/zinc/24/12/44/1067241244.db2.gz PJEJUKQNAJTVMA-UXHICEINSA-N 0 0 459.612 4.750 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O)c1ccccc1F ZINC001452656914 1067241325 /nfs/dbraw/zinc/24/13/25/1067241325.db2.gz VMDVMHUUKLAAHT-JOCHJYFZSA-N 0 0 452.482 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001452654082 1067241487 /nfs/dbraw/zinc/24/14/87/1067241487.db2.gz IQMXSEZSZLDFSL-LJQANCHMSA-N 0 0 454.914 4.536 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)COCCO2)C1 ZINC001546106155 1067242031 /nfs/dbraw/zinc/24/20/31/1067242031.db2.gz LDEOSGXXFRKUOP-JOCHJYFZSA-N 0 0 493.446 4.538 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)cc1 ZINC001452661858 1067242481 /nfs/dbraw/zinc/24/24/81/1067242481.db2.gz ZMGYZPADOBWOHJ-LJQANCHMSA-N 0 0 459.384 4.890 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001459066934 1067242722 /nfs/dbraw/zinc/24/27/22/1067242722.db2.gz FLPHPIGNOWFIAJ-UHFFFAOYSA-N 0 0 456.264 4.547 20 0 JJADRN CN(C)Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1Br ZINC001459070241 1067243823 /nfs/dbraw/zinc/24/38/23/1067243823.db2.gz AWIDHJYKPAEPQZ-UHFFFAOYSA-N 0 0 459.384 4.732 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c(C)cc1Cl ZINC001459072837 1067244831 /nfs/dbraw/zinc/24/48/31/1067244831.db2.gz LFXXIAGYDPBYKC-UHFFFAOYSA-N 0 0 455.769 4.627 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)OC(C)(C)C)cs2)CC1 ZINC001452692166 1067245008 /nfs/dbraw/zinc/24/50/08/1067245008.db2.gz RRFDTDSXWLRBKN-MDKPJZGXSA-N 0 0 458.624 4.754 20 0 JJADRN Cc1ccccc1-n1ncc(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)c1C(F)F ZINC001452693117 1067245046 /nfs/dbraw/zinc/24/50/46/1067245046.db2.gz CEJXBGIGDDAJGK-UHFFFAOYSA-N 0 0 452.461 4.605 20 0 JJADRN CN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452694083 1067245576 /nfs/dbraw/zinc/24/55/76/1067245576.db2.gz LAGPANMRCIXKLU-UKILVPOCSA-N 0 0 456.521 4.658 20 0 JJADRN CN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452694082 1067245627 /nfs/dbraw/zinc/24/56/27/1067245627.db2.gz LAGPANMRCIXKLU-NOZRDPDXSA-N 0 0 456.521 4.658 20 0 JJADRN CCCCCn1nc(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)c2ccccc2c1=O ZINC001459075862 1067245763 /nfs/dbraw/zinc/24/57/63/1067245763.db2.gz UQRHIJWHWJIQEQ-MRXNPFEDSA-N 0 0 457.958 4.906 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCOCC2(C)C)C1 ZINC001546105876 1067245849 /nfs/dbraw/zinc/24/58/49/1067245849.db2.gz AAXDVCUNLZWDQY-UHFFFAOYSA-N 0 0 499.700 4.868 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001459078608 1067246834 /nfs/dbraw/zinc/24/68/34/1067246834.db2.gz ZKBCWVMQKOQZQW-UHFFFAOYSA-N 0 0 459.823 4.964 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)COCCc1ccc(Br)cc1 ZINC001459078599 1067246916 /nfs/dbraw/zinc/24/69/16/1067246916.db2.gz ZHOKQICFNZKAOY-AWEZNQCLSA-N 0 0 456.764 4.714 20 0 JJADRN C[C@@H]1C[C@@H](CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC(C)(C)C1 ZINC001459078567 1067246940 /nfs/dbraw/zinc/24/69/40/1067246940.db2.gz ZCLBVSLOFKSAEO-SJORKVTESA-N 0 0 455.426 4.896 20 0 JJADRN COc1ccc(-n2c(SCC(=O)NCC3CC(C)(C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001459079493 1067247364 /nfs/dbraw/zinc/24/73/64/1067247364.db2.gz DZSPHNBTYWPAHJ-UHFFFAOYSA-N 0 0 450.608 4.896 20 0 JJADRN CCc1cc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c2c(CC(C)(C)C)noc2n1 ZINC001452738835 1067247508 /nfs/dbraw/zinc/24/75/08/1067247508.db2.gz QYJVWBJNUNIMAI-UHFFFAOYSA-N 0 0 452.603 4.710 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1coc(C2CC2)n1 ZINC001459083629 1067247810 /nfs/dbraw/zinc/24/78/10/1067247810.db2.gz IMMRRRUJKIVZPY-IRLDBZIGSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1cc(C(=O)Cn2cc(Br)cc(Cl)c2=O)c(C)n1CCc1cccs1 ZINC001459089142 1067248779 /nfs/dbraw/zinc/24/87/79/1067248779.db2.gz RBWZRFWWBRVOMA-UHFFFAOYSA-N 0 0 453.789 4.870 20 0 JJADRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001452757923 1067249127 /nfs/dbraw/zinc/24/91/27/1067249127.db2.gz RYXZYAYPJDQEFS-GLDPYIMESA-N 0 0 455.574 4.531 20 0 JJADRN NC(=O)c1c(NC(=O)CSc2ccc(Br)c(Cl)c2)sc2c1CCCC2 ZINC001459091357 1067249153 /nfs/dbraw/zinc/24/91/53/1067249153.db2.gz YHIAQEYLZUMVOX-UHFFFAOYSA-N 0 0 459.818 4.873 20 0 JJADRN Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[nH]c1=O ZINC001459089457 1067249296 /nfs/dbraw/zinc/24/92/96/1067249296.db2.gz CZOFDTFBXKBTRB-RIFZZMRRSA-N 0 0 457.596 4.839 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)cnc1F ZINC001459089844 1067249342 /nfs/dbraw/zinc/24/93/42/1067249342.db2.gz UMFCQGPAZBHJDZ-IRLDBZIGSA-N 0 0 455.574 4.907 20 0 JJADRN CC(C)(C(=O)NC[C@]1(CO)CCc2ccccc21)c1csc(-c2c(F)cccc2Cl)n1 ZINC001452765798 1067249518 /nfs/dbraw/zinc/24/95/18/1067249518.db2.gz FNKJGEHYVCOWRH-DEOSSOPVSA-N 0 0 458.986 4.873 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001459097318 1067249653 /nfs/dbraw/zinc/24/96/53/1067249653.db2.gz KJYRIKOPBWZPET-UYAOXDASSA-N 0 0 450.526 4.885 20 0 JJADRN O=C(COc1ccc(Cl)c(Br)c1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001459092592 1067249736 /nfs/dbraw/zinc/24/97/36/1067249736.db2.gz YVNUDMPSRGAAGX-UHFFFAOYSA-N 0 0 451.748 4.792 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1Br ZINC001459096530 1067249744 /nfs/dbraw/zinc/24/97/44/1067249744.db2.gz IMCLYLGWVYHKRG-INIZCTEOSA-N 0 0 455.274 4.620 20 0 JJADRN CCC1(CC)C(=O)N(C)C(=O)N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1=O ZINC001459098951 1067250234 /nfs/dbraw/zinc/25/02/34/1067250234.db2.gz HIFISTBSZSELFE-UHFFFAOYSA-N 0 0 453.486 4.864 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)s1 ZINC001452768158 1067250199 /nfs/dbraw/zinc/25/01/99/1067250199.db2.gz HQSGSVSZYOAVRK-SESVDKBCSA-N 0 0 454.636 4.879 20 0 JJADRN CCOC(=O)[C@@H](COC)N(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC001459101190 1067250663 /nfs/dbraw/zinc/25/06/63/1067250663.db2.gz UZXMRGPHMWRJRK-HXUWFJFHSA-N 0 0 451.441 4.680 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(Cl)c1 ZINC001459101317 1067250694 /nfs/dbraw/zinc/25/06/94/1067250694.db2.gz VZOVDJNHMDMZJI-QGZVFWFLSA-N 0 0 454.876 4.748 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001459101997 1067250722 /nfs/dbraw/zinc/25/07/22/1067250722.db2.gz LJQCZXDVUZBPTE-CQSZACIVSA-N 0 0 454.474 4.718 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(Cl)c1 ZINC001459101309 1067250796 /nfs/dbraw/zinc/25/07/96/1067250796.db2.gz VZOVDJNHMDMZJI-KRWDZBQOSA-N 0 0 454.876 4.748 20 0 JJADRN CC(C)CCNC(=O)C1CCN(C(=O)CS[C@@H](C)c2cccc(Br)c2)CC1 ZINC001459104907 1067251161 /nfs/dbraw/zinc/25/11/61/1067251161.db2.gz UQIAGIKBCQYLEM-INIZCTEOSA-N 0 0 455.462 4.644 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@H](C)CO1 ZINC001452777576 1067251138 /nfs/dbraw/zinc/25/11/38/1067251138.db2.gz QPLNAMMTYYRLOF-IQMFZBJNSA-N 0 0 458.624 4.669 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)Cn3cnc4cc(Cl)cc(Cl)c4c3=O)CC2)cc1 ZINC001459105282 1067251708 /nfs/dbraw/zinc/25/17/08/1067251708.db2.gz PXAOXYUYMJBIOE-UHFFFAOYSA-N 0 0 458.389 4.883 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC2CC2)C1 ZINC001546106316 1067252133 /nfs/dbraw/zinc/25/21/33/1067252133.db2.gz RUNZCVNZZLINEW-UHFFFAOYSA-N 0 0 469.026 4.579 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452791495 1067252250 /nfs/dbraw/zinc/25/22/50/1067252250.db2.gz SEGSOKPXVHMPSG-CYFREDJKSA-N 0 0 453.023 4.822 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452793450 1067252258 /nfs/dbraw/zinc/25/22/58/1067252258.db2.gz YZLLDIFBDVMVBP-XMMPIXPASA-N 0 0 458.389 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)Cc2ccccc21 ZINC001452794845 1067252284 /nfs/dbraw/zinc/25/22/84/1067252284.db2.gz MIPZFDYIHRZEPT-YSIASYRMSA-N 0 0 458.505 4.874 20 0 JJADRN CNC(=O)[C@@H](CNC(=O)c1ccccc1Nc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC001452792674 1067252300 /nfs/dbraw/zinc/25/23/00/1067252300.db2.gz JLMIUQQGEHLLLZ-GOSISDBHSA-N 0 0 455.480 4.784 20 0 JJADRN O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC001459110001 1067252653 /nfs/dbraw/zinc/25/26/53/1067252653.db2.gz MOZQJAAFQHMFTG-UHFFFAOYSA-N 0 0 456.667 4.534 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2ccnc2C)C1 ZINC001546106410 1067253153 /nfs/dbraw/zinc/25/31/53/1067253153.db2.gz VVWAEZVTCYKKMH-UHFFFAOYSA-N 0 0 452.603 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2csc(-c3cccs3)n2)Cc2ccccc21 ZINC001452797408 1067253279 /nfs/dbraw/zinc/25/32/79/1067253279.db2.gz AYWQPJIAWPCGQN-INIZCTEOSA-N 0 0 455.605 4.897 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1sc(-c2ccccc2)nc1C(F)F ZINC001459114240 1067253504 /nfs/dbraw/zinc/25/35/04/1067253504.db2.gz AVSOFGJVTVXONS-UHFFFAOYSA-N 0 0 450.268 4.805 20 0 JJADRN Cc1cc(CN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)C2CC2)cc(S(N)(=O)=O)c1C ZINC001452803300 1067253637 /nfs/dbraw/zinc/25/36/37/1067253637.db2.gz MMLMOIHNMRCTAZ-LJQANCHMSA-N 0 0 457.640 4.520 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)Nc3ccc4c(c3)CCCCC4)ccn2)CC1 ZINC001452807728 1067254022 /nfs/dbraw/zinc/25/40/22/1067254022.db2.gz QXGVLIMXFJMTBP-UHFFFAOYSA-N 0 0 450.583 4.660 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001452806314 1067254154 /nfs/dbraw/zinc/25/41/54/1067254154.db2.gz ZDOWSMNNBBGXAA-FQEVSTJZSA-N 0 0 455.308 4.964 20 0 JJADRN COC(=O)[C@](C)(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001459119348 1067254565 /nfs/dbraw/zinc/25/45/65/1067254565.db2.gz GHGAFAIZLQNUMW-GOSISDBHSA-N 0 0 451.133 4.884 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC001459119584 1067254967 /nfs/dbraw/zinc/25/49/67/1067254967.db2.gz PDUQUHROAAYKSM-UHFFFAOYSA-N 0 0 456.468 4.900 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1 ZINC001452815941 1067254949 /nfs/dbraw/zinc/25/49/49/1067254949.db2.gz NKGSOXHADXMJJT-HTAPYJJXSA-N 0 0 451.567 4.578 20 0 JJADRN CN(Cc1ccccc1CNC(=O)C1(Cc2ccccc2)CCOCC1)C(=O)OC(C)(C)C ZINC001452814253 1067254980 /nfs/dbraw/zinc/25/49/80/1067254980.db2.gz FWYQDJGKRNYJGV-UHFFFAOYSA-N 0 0 452.595 4.709 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459119650 1067255102 /nfs/dbraw/zinc/25/51/02/1067255102.db2.gz RUTUILUJWXZIDM-HNNXBMFYSA-N 0 0 459.727 4.605 20 0 JJADRN Cc1ccc(I)cc1NC(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC001459120361 1067255663 /nfs/dbraw/zinc/25/56/63/1067255663.db2.gz JKRFLLSVZHLMLH-UHFFFAOYSA-N 0 0 451.304 4.736 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)CC2)c1 ZINC001452821834 1067255650 /nfs/dbraw/zinc/25/56/50/1067255650.db2.gz MJPPJJUOUAJEBF-UHFFFAOYSA-N 0 0 459.974 4.587 20 0 JJADRN Cc1nnc(SCC(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)n1-c1cc(C)ccc1C ZINC001452832222 1067256201 /nfs/dbraw/zinc/25/62/01/1067256201.db2.gz GSVGTAVJZSFZFZ-IBGZPJMESA-N 0 0 454.571 4.842 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)C3(c4cc(OC)cc(OC)c4)CCCC3)CC2)c1 ZINC001452825726 1067256226 /nfs/dbraw/zinc/25/62/26/1067256226.db2.gz BOOPAHPYDVOQTD-UHFFFAOYSA-N 0 0 458.986 4.526 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)O1 ZINC001546044875 1067256592 /nfs/dbraw/zinc/25/65/92/1067256592.db2.gz HZOCGNMEJYCAED-MZNJEOGPSA-N 0 0 478.012 4.504 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1 ZINC001459127429 1067257007 /nfs/dbraw/zinc/25/70/07/1067257007.db2.gz XUEWEISNLWVVKA-FPLPWBNLSA-N 0 0 453.276 4.800 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1(c2ccccc2)CCCC1 ZINC001459128891 1067257462 /nfs/dbraw/zinc/25/74/62/1067257462.db2.gz UUZGHDZQKYFNEP-MSOLQXFVSA-N 0 0 455.396 4.819 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2cccc(F)c2O1 ZINC001459129935 1067257563 /nfs/dbraw/zinc/25/75/63/1067257563.db2.gz VUDHBNGMAKNLGZ-DZGCQCFKSA-N 0 0 451.325 4.799 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CCNC(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC001452858555 1067257632 /nfs/dbraw/zinc/25/76/32/1067257632.db2.gz VKAOSDIDJPEBLD-UHFFFAOYSA-N 0 0 453.421 4.829 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CCNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1 ZINC001452856864 1067257662 /nfs/dbraw/zinc/25/76/62/1067257662.db2.gz QUURDPOIIIAOOT-UHFFFAOYSA-N 0 0 451.995 4.871 20 0 JJADRN COc1cc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)ccc1OCc1c(C)noc1C ZINC001459130788 1067257900 /nfs/dbraw/zinc/25/79/00/1067257900.db2.gz YCUHDLJSTRYUST-ZHUYAKLQSA-N 0 0 452.482 4.845 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2csc(-c3ccccc3C)n2)CC1 ZINC001452865972 1067258157 /nfs/dbraw/zinc/25/81/57/1067258157.db2.gz VYXCJUIMEDPHQU-UHFFFAOYSA-N 0 0 459.612 4.607 20 0 JJADRN CO[C@@H]1CCCC[C@H]1NC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452871852 1067258650 /nfs/dbraw/zinc/25/86/50/1067258650.db2.gz URPVOAPRSHMFTP-JWQCQUIFSA-N 0 0 450.579 4.769 20 0 JJADRN CC[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)c1cc(F)cc(Br)c1 ZINC001459140086 1067258897 /nfs/dbraw/zinc/25/88/97/1067258897.db2.gz HJKFIDBZHMCXQD-AWEZNQCLSA-N 0 0 459.109 4.961 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)c1ccc(OC)c(F)c1 ZINC001459140938 1067259056 /nfs/dbraw/zinc/25/90/56/1067259056.db2.gz OILRWDWEHDMBIY-FQEVSTJZSA-N 0 0 458.313 4.721 20 0 JJADRN CCO[C@@H]1CN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001452877660 1067259068 /nfs/dbraw/zinc/25/90/68/1067259068.db2.gz QEPHAWXPSPTWLL-WIYYLYMNSA-N 0 0 478.511 4.773 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)O1 ZINC001546045171 1067259140 /nfs/dbraw/zinc/25/91/40/1067259140.db2.gz LSDHUJDKLBBRLO-NVNJLQHGSA-N 0 0 456.631 4.996 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001459142826 1067259479 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ATMOQWSCKDJIBA-SFHVURJKSA-N 0 0 454.617 4.519 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC001452897109 1067261199 /nfs/dbraw/zinc/26/11/99/1067261199.db2.gz AWXIDGWWAMBEEX-ZBFHGGJFSA-N 0 0 477.355 4.535 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001459149846 1067261443 /nfs/dbraw/zinc/26/14/43/1067261443.db2.gz QSFAKLZVHMBVQA-AWEZNQCLSA-N 0 0 458.477 4.526 20 0 JJADRN Cc1cc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc(NC2CC2)n1 ZINC001452899410 1067261673 /nfs/dbraw/zinc/26/16/73/1067261673.db2.gz PKJAJZCGGZPAGP-NRFANRHFSA-N 0 0 450.583 4.841 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1CCCCCC1 ZINC001452899311 1067261720 /nfs/dbraw/zinc/26/17/20/1067261720.db2.gz BYGXIORXMPWCEV-HSALFYBXSA-N 0 0 452.636 4.724 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1cc(F)cc(Br)c1 ZINC001459151679 1067262097 /nfs/dbraw/zinc/26/20/97/1067262097.db2.gz XSJMDWBUDJLQPT-OLMNPRSZSA-N 0 0 458.368 4.683 20 0 JJADRN CC[C@@](O)(CC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 ZINC001452903650 1067261970 /nfs/dbraw/zinc/26/19/70/1067261970.db2.gz WKIVYEYIOANCEQ-AJTFRIOCSA-N 0 0 452.595 4.937 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)CCc3cc(Cl)cs3)C2)C1 ZINC001452902814 1067261983 /nfs/dbraw/zinc/26/19/83/1067261983.db2.gz ITZZSJHWOBLKEN-SZVBFZGTSA-N 0 0 457.036 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001452903621 1067262131 /nfs/dbraw/zinc/26/21/31/1067262131.db2.gz WFIMSPBENTWPNI-XPWALMASSA-N 0 0 450.579 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCc3cc(Cl)cs3)C2)C1 ZINC001452902809 1067262166 /nfs/dbraw/zinc/26/21/66/1067262166.db2.gz ITZZSJHWOBLKEN-SUMDDJOVSA-N 0 0 457.036 4.645 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452904576 1067262514 /nfs/dbraw/zinc/26/25/14/1067262514.db2.gz PWDGTLDHXSYDLD-KRWDZBQOSA-N 0 0 456.739 4.999 20 0 JJADRN CC[C@@](O)(CC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 ZINC001452904766 1067262558 /nfs/dbraw/zinc/26/25/58/1067262558.db2.gz WKIVYEYIOANCEQ-WXVAWEFUSA-N 0 0 452.595 4.937 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 ZINC001459152484 1067262608 /nfs/dbraw/zinc/26/26/08/1067262608.db2.gz ZDNCKZLIBIJITL-UHFFFAOYSA-N 0 0 459.793 4.692 20 0 JJADRN Cc1cc(C)cc(C2(C(=O)N3CCC[C@H]([C@@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)CC2)c1 ZINC001452905953 1067263042 /nfs/dbraw/zinc/26/30/42/1067263042.db2.gz PIGJVEKFINYJEY-WWNPGLIZSA-N 0 0 456.627 4.646 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C)CC(C)C ZINC001452915313 1067264038 /nfs/dbraw/zinc/26/40/38/1067264038.db2.gz AQUHMTSIMCSOKK-SKWRMQMOSA-N 0 0 456.627 4.502 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001459165208 1067264715 /nfs/dbraw/zinc/26/47/15/1067264715.db2.gz SDWRFWZKZWUOOM-KRWDZBQOSA-N 0 0 451.283 4.886 20 0 JJADRN CCOC(=O)C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)CC(C)C ZINC001452921529 1067264692 /nfs/dbraw/zinc/26/46/92/1067264692.db2.gz TXPSIBMRNSOTGH-KRWDZBQOSA-N 0 0 456.608 4.834 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC001452933903 1067265563 /nfs/dbraw/zinc/26/55/63/1067265563.db2.gz OQMNLGYOBBMNEI-QMTYFTJSSA-N 0 0 454.455 4.976 20 0 JJADRN O=C(CSCC(=O)N1CCC(C2CCCCC2)CC1)Nc1cccc(Br)c1 ZINC001452934063 1067265738 /nfs/dbraw/zinc/26/57/38/1067265738.db2.gz VGHKEHLWSQCCBR-UHFFFAOYSA-N 0 0 453.446 4.940 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452946665 1067266021 /nfs/dbraw/zinc/26/60/21/1067266021.db2.gz HBKDPUNGJWTAGJ-AGILITTLSA-N 0 0 454.586 4.748 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)OC2CCCC2)O1 ZINC001546046298 1067266049 /nfs/dbraw/zinc/26/60/49/1067266049.db2.gz ZBGARWGFBDYMEU-PXDATVDWSA-N 0 0 455.603 4.805 20 0 JJADRN Cc1cc2oc(=O)cc(Cn3cnc(C(F)(F)F)c(Br)c3=O)c2cc1C(C)C ZINC001459175656 1067266046 /nfs/dbraw/zinc/26/60/46/1067266046.db2.gz JYDAFERKRKJDCM-UHFFFAOYSA-N 0 0 457.246 4.611 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC([C@H](C)CO)CC2)c(OC)c1 ZINC001452941696 1067266113 /nfs/dbraw/zinc/26/61/13/1067266113.db2.gz JSZXXOYSSGFPBT-GOSISDBHSA-N 0 0 450.579 4.652 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@H](CC)OC[C@@H]3CC)c2)cc1 ZINC001452939131 1067266151 /nfs/dbraw/zinc/26/61/51/1067266151.db2.gz XRYRNFSXHVMWMJ-XZOQPEGZSA-N 0 0 458.624 4.860 20 0 JJADRN CC(C)(C(=O)NCC1(c2ccc(F)cc2F)CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001459179727 1067266549 /nfs/dbraw/zinc/26/65/49/1067266549.db2.gz HJZGVYSRWCYEMU-UHFFFAOYSA-N 0 0 455.954 4.799 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC001459179904 1067266938 /nfs/dbraw/zinc/26/69/38/1067266938.db2.gz WRJGTQSDNWOVRY-UGKGYDQZSA-N 0 0 457.412 4.909 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](CO)CC(C)C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC001452952234 1067267038 /nfs/dbraw/zinc/26/70/38/1067267038.db2.gz QGUKYGNMFDMBBC-FQEVSTJZSA-N 0 0 458.562 4.541 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1OCC ZINC001452955206 1067267224 /nfs/dbraw/zinc/26/72/24/1067267224.db2.gz GHWMFGUTNJMYAC-QGZVFWFLSA-N 0 0 451.489 4.979 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1OCC ZINC001452955143 1067267238 /nfs/dbraw/zinc/26/72/38/1067267238.db2.gz GHWMFGUTNJMYAC-KRWDZBQOSA-N 0 0 451.489 4.979 20 0 JJADRN O=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459183733 1067267430 /nfs/dbraw/zinc/26/74/30/1067267430.db2.gz BERKTJSBPPZWGP-UHFFFAOYSA-N 0 0 453.498 4.821 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccccn3)C(C)(C)C)C2)c2ccccc12 ZINC001459185004 1067267726 /nfs/dbraw/zinc/26/77/26/1067267726.db2.gz ACXNCWCHRMAGIX-FQEVSTJZSA-N 0 0 459.590 4.923 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001459185149 1067267751 /nfs/dbraw/zinc/26/77/51/1067267751.db2.gz PLGAUXYIFYEQOB-HNNXBMFYSA-N 0 0 454.242 4.940 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC(C(=O)C(F)(F)F)CC3)cc12 ZINC001459185355 1067267823 /nfs/dbraw/zinc/26/78/23/1067267823.db2.gz SKHIPIKKLMBTJB-UHFFFAOYSA-N 0 0 453.461 4.577 20 0 JJADRN COc1ccc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)c(OCc2ccccc2)c1 ZINC001459185518 1067268122 /nfs/dbraw/zinc/26/81/22/1067268122.db2.gz AURNKVFWGNFYIH-UHFFFAOYSA-N 0 0 458.514 4.679 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)c3c(Cl)ccc(I)c3F)cn21 ZINC001459186980 1067268146 /nfs/dbraw/zinc/26/81/46/1067268146.db2.gz FRKURQZRPVOMSU-UHFFFAOYSA-N 0 0 458.662 4.502 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001459187857 1067268564 /nfs/dbraw/zinc/26/85/64/1067268564.db2.gz MHQZIUKBJCQRJY-GFCCVEGCSA-N 0 0 456.474 4.745 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CS1(=O)=O ZINC001452965663 1067268633 /nfs/dbraw/zinc/26/86/33/1067268633.db2.gz QTZCNCQRFWNZRO-NRXGSXMXSA-N 0 0 458.432 4.909 20 0 JJADRN CC(C)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)C(F)(F)F ZINC001459193542 1067269608 /nfs/dbraw/zinc/26/96/08/1067269608.db2.gz ZQHBXOLVQYQSHG-KGLIPLIRSA-N 0 0 453.299 4.718 20 0 JJADRN Cc1ccc(SCCn2cnc3c(cnn3-c3cccc(Br)c3)c2=O)cc1C ZINC001459198829 1067270011 /nfs/dbraw/zinc/27/00/11/1067270011.db2.gz SKJOWHKYRVIDRE-UHFFFAOYSA-N 0 0 455.381 4.754 20 0 JJADRN CC(C)(C)OCc1cc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)no1 ZINC001459202959 1067270484 /nfs/dbraw/zinc/27/04/84/1067270484.db2.gz YNEPDRKWGSMSIE-UHFFFAOYSA-N 0 0 450.564 4.860 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459207628 1067270974 /nfs/dbraw/zinc/27/09/74/1067270974.db2.gz UOFPZKOTOPHRQS-NBGIEHNGSA-N 0 0 451.588 4.656 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)cs2)cc1 ZINC001459205513 1067271009 /nfs/dbraw/zinc/27/10/09/1067271009.db2.gz NZWWQFNFSTVZKV-QFIPXVFZSA-N 0 0 450.539 4.991 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1 ZINC001459205633 1067271019 /nfs/dbraw/zinc/27/10/19/1067271019.db2.gz PQSSJEVIUHDBBE-FDDCHVKYSA-N 0 0 457.592 4.946 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459207624 1067271119 /nfs/dbraw/zinc/27/11/19/1067271119.db2.gz UOFPZKOTOPHRQS-CPJSRVTESA-N 0 0 451.588 4.656 20 0 JJADRN Cn1cc([C@H](NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c2ccc(F)cc2)cn1 ZINC001459203917 1067271128 /nfs/dbraw/zinc/27/11/28/1067271128.db2.gz LIWNYJLPFCLWDD-HSZRJFAPSA-N 0 0 454.958 4.708 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459207633 1067271137 /nfs/dbraw/zinc/27/11/37/1067271137.db2.gz UOFPZKOTOPHRQS-NLFFAJNJSA-N 0 0 451.588 4.656 20 0 JJADRN COc1ccc(Br)c(COc2cc(Cl)cnc2I)c1 ZINC001459209635 1067271575 /nfs/dbraw/zinc/27/15/75/1067271575.db2.gz ZNUVOXSZKBGGBP-UHFFFAOYSA-N 0 0 454.489 4.690 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993278 1067271642 /nfs/dbraw/zinc/27/16/42/1067271642.db2.gz HSQIIPKZXPWQDG-AWEZNQCLSA-N 0 0 453.391 4.609 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452993139 1067271700 /nfs/dbraw/zinc/27/17/00/1067271700.db2.gz GIYQLFZQUKPKND-UHFFFAOYSA-N 0 0 456.373 4.615 20 0 JJADRN Cc1oc2ccc(NC(=O)[C@@H](C)CS(=O)(=O)c3ccc(Br)cc3)cc2c1C ZINC001459211745 1067271923 /nfs/dbraw/zinc/27/19/23/1067271923.db2.gz GSUJTFXMZUGAJK-LBPRGKRZSA-N 0 0 450.354 4.861 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)N(C)C(=O)OC(C)(C)C ZINC001452996472 1067272101 /nfs/dbraw/zinc/27/21/01/1067272101.db2.gz VIZIPHWUSWOKAA-IBGZPJMESA-N 0 0 458.430 4.924 20 0 JJADRN Cc1ccc(Nc2ccccc2C(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 ZINC001452995497 1067272148 /nfs/dbraw/zinc/27/21/48/1067272148.db2.gz HWNYXIIWJUWOQV-IBGZPJMESA-N 0 0 453.464 4.989 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C1 ZINC001546107266 1067272388 /nfs/dbraw/zinc/27/23/88/1067272388.db2.gz GQRZEXLXFOSJGH-UHFFFAOYSA-N 0 0 456.635 4.970 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cs1 ZINC001459212757 1067272397 /nfs/dbraw/zinc/27/23/97/1067272397.db2.gz VSEXZLGSMMATHA-UHFFFAOYSA-N 0 0 455.605 4.900 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccn3)c3ccc(N(C)C)cc3)CCC2=O)cc1C ZINC001459222335 1067272822 /nfs/dbraw/zinc/27/28/22/1067272822.db2.gz CUTPYCOTDKQTNP-QFIPXVFZSA-N 0 0 456.590 4.741 20 0 JJADRN O=C(Cn1nc(-c2c(F)cccc2F)ccc1=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001459220086 1067272911 /nfs/dbraw/zinc/27/29/11/1067272911.db2.gz YGWCCGUCUBWGHT-UHFFFAOYSA-N 0 0 455.480 4.689 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)Nc2ccc(I)cc2F)cc1 ZINC001452996936 1067272908 /nfs/dbraw/zinc/27/29/08/1067272908.db2.gz HVAXVWSQXDXBMB-UHFFFAOYSA-N 0 0 455.267 4.821 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1F ZINC001452998848 1067273366 /nfs/dbraw/zinc/27/33/66/1067273366.db2.gz PUCUAXTWKQSJBN-YJBOKZPZSA-N 0 0 451.325 4.858 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)c2)c1 ZINC001453017020 1067274488 /nfs/dbraw/zinc/27/44/88/1067274488.db2.gz SQELZXJFWMQBPM-DEOSSOPVSA-N 0 0 450.560 4.808 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC001453027855 1067275001 /nfs/dbraw/zinc/27/50/01/1067275001.db2.gz SCZWSTQTRZYQEA-UHFFFAOYSA-N 0 0 451.379 4.575 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1ccc(Br)s1 ZINC001453036774 1067275095 /nfs/dbraw/zinc/27/50/95/1067275095.db2.gz RCNVFAXOTBOWMQ-APPDUMDISA-N 0 0 459.203 4.804 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cc(Br)co1 ZINC001459233177 1067275121 /nfs/dbraw/zinc/27/51/21/1067275121.db2.gz ZTUZAPLIUKPHQZ-INIZCTEOSA-N 0 0 450.130 4.913 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459234503 1067275192 /nfs/dbraw/zinc/27/51/92/1067275192.db2.gz HVFOMQZDIWUFIO-LJQANCHMSA-N 0 0 458.331 4.827 20 0 JJADRN O=c1onc(-c2cc(Br)cc(Br)c2)n1C[C@@H]1CCCCC1(F)F ZINC001459236181 1067275712 /nfs/dbraw/zinc/27/57/12/1067275712.db2.gz LBAPMYDMOABSIL-JTQLQIEISA-N 0 0 452.093 4.854 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(cc[nH]c3=O)c2)c1 ZINC001453066116 1067276198 /nfs/dbraw/zinc/27/61/98/1067276198.db2.gz IXNNJLQGEFPLAL-UHFFFAOYSA-N 0 0 459.527 4.520 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)CCCc1ccc(Br)s1 ZINC001459241663 1067276318 /nfs/dbraw/zinc/27/63/18/1067276318.db2.gz OSUIZQDVUPXGMC-INIZCTEOSA-N 0 0 458.805 4.777 20 0 JJADRN COc1ccc(-c2cc(CNC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)on2)cc1 ZINC001453071376 1067276691 /nfs/dbraw/zinc/27/66/91/1067276691.db2.gz GWTSPQZKFFIGHV-UHFFFAOYSA-N 0 0 456.424 4.793 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)cc1Br ZINC001459241886 1067276786 /nfs/dbraw/zinc/27/67/86/1067276786.db2.gz MPXGSZCKXURYEU-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CCCC1 ZINC001453074945 1067277114 /nfs/dbraw/zinc/27/71/14/1067277114.db2.gz OSIGEOQRDALGRX-UTKZUKDTSA-N 0 0 451.405 4.680 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001453075113 1067277285 /nfs/dbraw/zinc/27/72/85/1067277285.db2.gz PVCGPDZCPMXYTQ-AWEZNQCLSA-N 0 0 457.434 4.883 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2(Cc3cccc(F)c3)CCC2)c1 ZINC001459252963 1067277663 /nfs/dbraw/zinc/27/76/63/1067277663.db2.gz DWTMXSMORJKJIH-QFIPXVFZSA-N 0 0 456.558 4.552 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(F)F)CC2)O1 ZINC001546047664 1067278223 /nfs/dbraw/zinc/27/82/23/1067278223.db2.gz BOCLTYLWFBUNDH-KSFYIVLOSA-N 0 0 488.410 4.987 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccn2)c(C(=O)OC(C)(C)C)c1C ZINC001459256783 1067278279 /nfs/dbraw/zinc/27/82/79/1067278279.db2.gz ZWGJGRMLAOQVTD-UHFFFAOYSA-N 0 0 450.582 4.623 20 0 JJADRN O=C(CSC1CCC(c2ccccc2)CC1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC001459254900 1067278353 /nfs/dbraw/zinc/27/83/53/1067278353.db2.gz ATARJGJOJLRJJD-RUDSSYLZSA-N 0 0 459.608 4.929 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC001459259142 1067278827 /nfs/dbraw/zinc/27/88/27/1067278827.db2.gz BFMAYFRSOYQZAG-UHFFFAOYSA-N 0 0 456.930 4.918 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)c2o1 ZINC001459261588 1067279413 /nfs/dbraw/zinc/27/94/13/1067279413.db2.gz GREQTCQYLTZQJI-SFHVURJKSA-N 0 0 458.312 4.638 20 0 JJADRN CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1nc2ccccc2s1 ZINC001453110667 1067279363 /nfs/dbraw/zinc/27/93/63/1067279363.db2.gz HNKPWGOSDITUBI-TZIWHRDSSA-N 0 0 480.634 4.642 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CC23CCSCC3)cc1 ZINC001453117269 1067279735 /nfs/dbraw/zinc/27/97/35/1067279735.db2.gz KVDICAJRJGUGTR-BDTNDASRSA-N 0 0 474.667 4.828 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Cl)ccc2O)cc1 ZINC001453116181 1067279742 /nfs/dbraw/zinc/27/97/42/1067279742.db2.gz GAATZBGBJPAJOT-ICSRJNTNSA-N 0 0 460.958 4.577 20 0 JJADRN COCCOc1cc(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)nc2ccccc21 ZINC001459266828 1067279817 /nfs/dbraw/zinc/27/98/17/1067279817.db2.gz GDLDTENESMKELH-UHFFFAOYSA-N 0 0 452.551 4.718 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3cccn4ncc(Br)c34)c2o1 ZINC001459267797 1067279941 /nfs/dbraw/zinc/27/99/41/1067279941.db2.gz RPPCCXVYHZLMKK-UHFFFAOYSA-N 0 0 450.090 4.561 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)c2o1 ZINC001459269173 1067280434 /nfs/dbraw/zinc/28/04/34/1067280434.db2.gz XVZOKEXILYPZNI-UHFFFAOYSA-N 0 0 458.291 4.994 20 0 JJADRN COC(=O)c1cc2ccccc2cc1SCc1nnnn1-c1ccccc1Br ZINC001459271103 1067280533 /nfs/dbraw/zinc/28/05/33/1067280533.db2.gz HLBDXRSFPKWQOO-UHFFFAOYSA-N 0 0 455.337 4.657 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001459275486 1067281002 /nfs/dbraw/zinc/28/10/02/1067281002.db2.gz LEADTVFNWJRTKR-NRFANRHFSA-N 0 0 456.583 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC001459278005 1067281342 /nfs/dbraw/zinc/28/13/42/1067281342.db2.gz HGEQPKGLHBWSBA-HOTGVXAUSA-N 0 0 450.992 4.804 20 0 JJADRN COCC(C)(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC001459277325 1067281509 /nfs/dbraw/zinc/28/15/09/1067281509.db2.gz NXKOTURDPHUERZ-UHFFFAOYSA-N 0 0 454.592 4.824 20 0 JJADRN COc1ccc(-c2cc3[n-]c(CSc4cc(C(F)(F)F)ncn4)nc(=O)c3s2)cc1 ZINC001459279853 1067281928 /nfs/dbraw/zinc/28/19/28/1067281928.db2.gz FVHRETOUSGWENN-UHFFFAOYSA-N 0 0 450.467 4.761 20 0 JJADRN O=C(CSc1nc2ncc(Cl)cc2o1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001459278578 1067282051 /nfs/dbraw/zinc/28/20/51/1067282051.db2.gz JNGNZWZGJWDJKT-UHFFFAOYSA-N 0 0 452.923 4.537 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459286424 1067283054 /nfs/dbraw/zinc/28/30/54/1067283054.db2.gz HNJDQTCOMHXUGC-QXMHVHEDSA-N 0 0 453.583 4.943 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3N1C(=O)OC(C)(C)C)sc(=O)n2C ZINC001453144273 1067283122 /nfs/dbraw/zinc/28/31/22/1067283122.db2.gz MYVDAUFKZMDNQG-JQHSSLGASA-N 0 0 459.612 4.805 20 0 JJADRN COc1cccc(CN2CCC(NC(=O)c3ccccc3C(=O)c3cc(C)ccc3C)CC2)c1 ZINC001453139634 1067283146 /nfs/dbraw/zinc/28/31/46/1067283146.db2.gz CLVOJGMHZOPJNZ-UHFFFAOYSA-N 0 0 456.586 4.937 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H](OC)C2)O1 ZINC001546047917 1067283348 /nfs/dbraw/zinc/28/33/48/1067283348.db2.gz GARREJZOQJHWCR-YJPQMCDFSA-N 0 0 483.476 4.978 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)OC(C)C ZINC001459289263 1067283524 /nfs/dbraw/zinc/28/35/24/1067283524.db2.gz QAHSJQQYWZIIHI-XMMPIXPASA-N 0 0 451.542 4.795 20 0 JJADRN O=Cc1ccc(Cl)cc1OCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001459291545 1067283628 /nfs/dbraw/zinc/28/36/28/1067283628.db2.gz MEAWBWPODZMQJZ-UHFFFAOYSA-N 0 0 459.933 4.760 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc2sc(=O)n(C)c2cc1C ZINC001453146241 1067283877 /nfs/dbraw/zinc/28/38/77/1067283877.db2.gz QURIIOQCPUDQGL-UHFFFAOYSA-N 0 0 455.536 4.922 20 0 JJADRN CCCc1c(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)nnn1-c1cccc(Cl)c1 ZINC001459292438 1067284034 /nfs/dbraw/zinc/28/40/34/1067284034.db2.gz XMAGBEJCDTTYBE-VXKWHMMOSA-N 0 0 452.986 4.987 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(Cc2ccco2)C(C)C)O1 ZINC001546047997 1067284304 /nfs/dbraw/zinc/28/43/04/1067284304.db2.gz GVCBENJUPFGGFQ-BWKNWUBXSA-N 0 0 486.638 4.704 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](C(C)(C)C)C2)O1 ZINC001546048006 1067284316 /nfs/dbraw/zinc/28/43/16/1067284316.db2.gz GXESGZMKDWBOBP-IATMXGELSA-N 0 0 472.630 4.561 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N(C)CCOCC2CC2)O1 ZINC001546047983 1067284351 /nfs/dbraw/zinc/28/43/51/1067284351.db2.gz GUAOIIFOBATENH-MBSDFSHPSA-N 0 0 477.447 4.918 20 0 JJADRN CCCc1c(C(=O)N(C)c2cccc(Br)n2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001459295321 1067284434 /nfs/dbraw/zinc/28/44/34/1067284434.db2.gz CNUHHLMTESBBKI-UHFFFAOYSA-N 0 0 456.388 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C34CCC(CC3)N4C(=O)OC(C)(C)C)c2C1 ZINC001453160513 1067284827 /nfs/dbraw/zinc/28/48/27/1067284827.db2.gz FGEUJVIERMKEOT-UHFFFAOYSA-N 0 0 457.571 4.808 20 0 JJADRN COC1(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459296646 1067285003 /nfs/dbraw/zinc/28/50/03/1067285003.db2.gz SVLXITZYMWMWLY-HSZRJFAPSA-N 0 0 450.579 4.873 20 0 JJADRN COC1(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459296651 1067285062 /nfs/dbraw/zinc/28/50/62/1067285062.db2.gz SVLXITZYMWMWLY-QHCPKHFHSA-N 0 0 450.579 4.873 20 0 JJADRN Cn1cc(CCNC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c2ccc(F)cc21 ZINC001459297905 1067285919 /nfs/dbraw/zinc/28/59/19/1067285919.db2.gz PENVQIUCSPCPBR-UHFFFAOYSA-N 0 0 457.431 4.842 20 0 JJADRN Cc1nc(CN2CCC(C(=O)Nc3cccc4c3CN(C(=O)OC(C)(C)C)C4)CC2)cs1 ZINC001453173253 1067285827 /nfs/dbraw/zinc/28/58/27/1067285827.db2.gz XGFCYPIXEODOGL-UHFFFAOYSA-N 0 0 456.612 4.553 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C(C)C)C2)O1 ZINC001546048183 1067286351 /nfs/dbraw/zinc/28/63/51/1067286351.db2.gz JEDBMISZEPRAHR-TXTKFYIRSA-N 0 0 477.447 4.917 20 0 JJADRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001459299660 1067286388 /nfs/dbraw/zinc/28/63/88/1067286388.db2.gz PSDHEWWMJZDRKB-UHFFFAOYSA-N 0 0 454.246 4.995 20 0 JJADRN Cc1ccc([C@H]2CCC[C@H]2OC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC001459299322 1067286418 /nfs/dbraw/zinc/28/64/18/1067286418.db2.gz VNSVABZSLDOYOL-DNQXCXABSA-N 0 0 455.620 4.892 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)OCc3ccc(Cl)cc3Br)CC2=O)c1 ZINC001459300368 1067286960 /nfs/dbraw/zinc/28/69/60/1067286960.db2.gz UZTDLKAVQVGRJQ-ZDUSSCGKSA-N 0 0 454.773 4.921 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)OCc3ccc(Cl)cc3Br)CC2=O)c1 ZINC001459300367 1067287013 /nfs/dbraw/zinc/28/70/13/1067287013.db2.gz UZTDLKAVQVGRJQ-CYBMUJFWSA-N 0 0 454.773 4.921 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C(C)C)C2)O1 ZINC001546048244 1067287097 /nfs/dbraw/zinc/28/70/97/1067287097.db2.gz JWDSOEVHXXECID-WHSLLNHNSA-N 0 0 483.476 4.978 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 ZINC001459300404 1067287098 /nfs/dbraw/zinc/28/70/98/1067287098.db2.gz VKUDRCWCLSWTDT-KRWDZBQOSA-N 0 0 450.425 4.602 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001453183005 1067287372 /nfs/dbraw/zinc/28/73/72/1067287372.db2.gz RTYNFXFNCIBQLK-KOSHJBKYSA-N 0 0 452.039 4.860 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001453183017 1067287399 /nfs/dbraw/zinc/28/73/99/1067287399.db2.gz RTYNFXFNCIBQLK-UUOWRZLLSA-N 0 0 452.039 4.860 20 0 JJADRN COc1cc(Cl)ccc1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC001459302092 1067287414 /nfs/dbraw/zinc/28/74/14/1067287414.db2.gz HYBHIRXRDJHLCF-UHFFFAOYSA-N 0 0 458.967 4.881 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)C2)O1 ZINC001546048278 1067287524 /nfs/dbraw/zinc/28/75/24/1067287524.db2.gz KKLMNFGDHKBZMH-GCKMJXCFSA-N 0 0 465.461 4.997 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCOCC2CC2)O1 ZINC001546048389 1067287876 /nfs/dbraw/zinc/28/78/76/1067287876.db2.gz LMMHKCBMEGOGTD-MBSDFSHPSA-N 0 0 450.986 4.948 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c2ccccc12 ZINC001459304388 1067288307 /nfs/dbraw/zinc/28/83/07/1067288307.db2.gz RAOKIGCOVJTBBC-QGZVFWFLSA-N 0 0 456.926 4.668 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c(Br)c1 ZINC001459304826 1067288407 /nfs/dbraw/zinc/28/84/07/1067288407.db2.gz VHUBNCUIJYHGHI-HNNXBMFYSA-N 0 0 457.368 4.853 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)O1 ZINC001546048422 1067288425 /nfs/dbraw/zinc/28/84/25/1067288425.db2.gz LYVKRIRTGNWRKS-NXQMDHLFSA-N 0 0 474.049 4.639 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001459306190 1067289152 /nfs/dbraw/zinc/28/91/52/1067289152.db2.gz XDHCNPVUICQDRL-QAPCUYQASA-N 0 0 453.174 4.791 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001453213009 1067289237 /nfs/dbraw/zinc/28/92/37/1067289237.db2.gz KXSINWIWDPERJY-RRFJBIMHSA-N 0 0 469.394 4.953 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001453213011 1067289294 /nfs/dbraw/zinc/28/92/94/1067289294.db2.gz KXSINWIWDPERJY-ZNMIVQPWSA-N 0 0 469.394 4.953 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001459309066 1067289760 /nfs/dbraw/zinc/28/97/60/1067289760.db2.gz DOFMCTIVXKKPGX-KRWDZBQOSA-N 0 0 458.624 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1sc3cc(Cl)ccc3c1Cl)CO2 ZINC001453220408 1067289791 /nfs/dbraw/zinc/28/97/91/1067289791.db2.gz DKRQFNCXMNWGEV-LBPRGKRZSA-N 0 0 457.379 4.716 20 0 JJADRN CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001459310415 1067290368 /nfs/dbraw/zinc/29/03/68/1067290368.db2.gz OJJMOEFRNRFADD-LJQANCHMSA-N 0 0 455.769 4.709 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)cc1 ZINC001459310799 1067290419 /nfs/dbraw/zinc/29/04/19/1067290419.db2.gz NHRXRXOPLLLSHS-JOCHJYFZSA-N 0 0 457.412 4.769 20 0 JJADRN O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1cccnc1C(F)(F)F ZINC001459311002 1067290434 /nfs/dbraw/zinc/29/04/34/1067290434.db2.gz QEHZRBVXRRROBN-QFIPXVFZSA-N 0 0 457.471 4.525 20 0 JJADRN CC1(C)CN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CCc2ccccc21 ZINC001453230240 1067290905 /nfs/dbraw/zinc/29/09/05/1067290905.db2.gz WHVSPWBCRUAKBF-RUZDIDTESA-N 0 0 457.574 4.941 20 0 JJADRN COc1ccc(C(NC(=O)CN(C)[C@H](C)c2cc(F)ccc2F)c2ccc(OC)cc2)cc1 ZINC001459312727 1067291052 /nfs/dbraw/zinc/29/10/52/1067291052.db2.gz KXXCDLKUKXDPPQ-QGZVFWFLSA-N 0 0 454.517 4.881 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1Br ZINC001459315949 1067291624 /nfs/dbraw/zinc/29/16/24/1067291624.db2.gz RXPUJGPCWPTJMV-GFCCVEGCSA-N 0 0 456.768 4.722 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546048973 1067292040 /nfs/dbraw/zinc/29/20/40/1067292040.db2.gz SEMUDUFTMMCKBN-PXDATVDWSA-N 0 0 474.049 4.641 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546049014 1067292363 /nfs/dbraw/zinc/29/23/63/1067292363.db2.gz SSTCFDBCFYYDAE-NLFFAJNJSA-N 0 0 454.571 4.848 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546049011 1067292374 /nfs/dbraw/zinc/29/23/74/1067292374.db2.gz SSTCFDBCFYYDAE-CJFMBICVSA-N 0 0 454.571 4.848 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)n1 ZINC001453264271 1067292475 /nfs/dbraw/zinc/29/24/75/1067292475.db2.gz ROUAKENBLFTIIZ-NRFANRHFSA-N 0 0 453.652 4.774 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)O1 ZINC001546049002 1067292563 /nfs/dbraw/zinc/29/25/63/1067292563.db2.gz SKCAKLDIQHIDDN-ZVUIFXONSA-N 0 0 467.658 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(Oc3ccccc3Cl)cc1)CO2 ZINC001453267689 1067292603 /nfs/dbraw/zinc/29/26/03/1067292603.db2.gz ZPWJVWNOBBZVJV-QGZVFWFLSA-N 0 0 458.942 4.641 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cc2ccc(OCc3ccncc3)cc2)Cc2ccccc21 ZINC001453285155 1067293535 /nfs/dbraw/zinc/29/35/35/1067293535.db2.gz HHRCJEJXSQCFNR-VWLOTQADSA-N 0 0 458.558 4.671 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)cn1 ZINC001453287773 1067293963 /nfs/dbraw/zinc/29/39/63/1067293963.db2.gz NCWHBVYZCVFNRG-NRFANRHFSA-N 0 0 459.315 4.771 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)C[C@H]2CCCO2)O1 ZINC001546049101 1067293970 /nfs/dbraw/zinc/29/39/70/1067293970.db2.gz VENCJZNIFQMLLV-PWHSHALESA-N 0 0 477.447 4.979 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001459324553 1067294057 /nfs/dbraw/zinc/29/40/57/1067294057.db2.gz IKXIWUMAJCVHRK-GXSJLCMTSA-N 0 0 452.296 4.683 20 0 JJADRN CC(C)(NC(=O)CCNC(=O)c1cc(F)ccc1Br)c1cccc(Cl)c1F ZINC001459319918 1067294073 /nfs/dbraw/zinc/29/40/73/1067294073.db2.gz AQUACYJGNOTUOY-UHFFFAOYSA-N 0 0 459.718 4.552 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001453289030 1067294579 /nfs/dbraw/zinc/29/45/79/1067294579.db2.gz NWHIUVSMHRFQLN-QFIPXVFZSA-N 0 0 451.563 4.652 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)O1 ZINC001546049196 1067294881 /nfs/dbraw/zinc/29/48/81/1067294881.db2.gz WVVWABWUBBMYGL-LAUBAEHRSA-N 0 0 466.424 4.704 20 0 JJADRN Cn1cc(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)c(C(F)(F)F)n1 ZINC001459323523 1067295046 /nfs/dbraw/zinc/29/50/46/1067295046.db2.gz MVNLAEQWSFASGE-UHFFFAOYSA-N 0 0 455.868 4.675 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001459331319 1067295348 /nfs/dbraw/zinc/29/53/48/1067295348.db2.gz LEIQUZRCCFRKEG-HXUWFJFHSA-N 0 0 453.283 4.586 20 0 JJADRN Cc1ccc(N(C)C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1Br ZINC001459327916 1067295825 /nfs/dbraw/zinc/29/58/25/1067295825.db2.gz HXBNTCUTLPUUCG-UHFFFAOYSA-N 0 0 457.225 4.773 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)ccc21 ZINC001459327803 1067295861 /nfs/dbraw/zinc/29/58/61/1067295861.db2.gz JVKTZGOGCAFQJG-FQEVSTJZSA-N 0 0 458.558 4.609 20 0 JJADRN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)c1 ZINC001459330840 1067296495 /nfs/dbraw/zinc/29/64/95/1067296495.db2.gz OEXNIHJFXZMKMC-KMKOMSMNSA-N 0 0 450.336 4.831 20 0 JJADRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)CCOc2cccc(C)c2)cc1 ZINC001459330430 1067296507 /nfs/dbraw/zinc/29/65/07/1067296507.db2.gz HDTLBLBUSDRVIN-HHHXNRCGSA-N 0 0 457.574 4.692 20 0 JJADRN COC(=O)c1ccccc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001453319897 1067296751 /nfs/dbraw/zinc/29/67/51/1067296751.db2.gz LELXUJOPZVRKLT-UHFFFAOYSA-N 0 0 451.319 4.608 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)CC2 ZINC001459331956 1067296940 /nfs/dbraw/zinc/29/69/40/1067296940.db2.gz QTFINHNNQBNSKP-YADHBBJMSA-N 0 0 455.396 4.867 20 0 JJADRN Cn1cc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c(C2CCCCC2)n1 ZINC001453321798 1067297325 /nfs/dbraw/zinc/29/73/25/1067297325.db2.gz GHAVVNWBWSCCEO-OAQYLSRUSA-N 0 0 458.647 4.967 20 0 JJADRN COc1cccc(CC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1Cl ZINC001453323772 1067297343 /nfs/dbraw/zinc/29/73/43/1067297343.db2.gz ILINLCAIGSJXID-IBGZPJMESA-N 0 0 451.007 4.777 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)ccc1-c1ccc(Br)cc1 ZINC001459333352 1067297373 /nfs/dbraw/zinc/29/73/73/1067297373.db2.gz SVYOOMRVWJRALN-IAGOWNOFSA-N 0 0 455.274 4.678 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)c3cccc(F)c3I)CC2)cc1 ZINC001459333950 1067297385 /nfs/dbraw/zinc/29/73/85/1067297385.db2.gz VMLLIJQLJFJMIJ-UHFFFAOYSA-N 0 0 452.311 4.516 20 0 JJADRN COCCN1C(=O)CCc2cc(NC(=O)c3c(C)cc(Br)cc3Cl)ccc21 ZINC001459335111 1067297433 /nfs/dbraw/zinc/29/74/33/1067297433.db2.gz YKLXSTXTJDDCKL-UHFFFAOYSA-N 0 0 451.748 4.589 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC001459335494 1067297472 /nfs/dbraw/zinc/29/74/72/1067297472.db2.gz UQBBTSARCDSGIY-HHJKRLRDSA-N 0 0 454.636 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)CCOc3ccccc3Cl)CC2)C1 ZINC001453329272 1067298119 /nfs/dbraw/zinc/29/81/19/1067298119.db2.gz UBFUKDICLJAYLD-LJQANCHMSA-N 0 0 451.007 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)CC1 ZINC001453330956 1067298208 /nfs/dbraw/zinc/29/82/08/1067298208.db2.gz DPZGUHPFSUOQTN-JOCHJYFZSA-N 0 0 456.627 4.621 20 0 JJADRN COCCOCc1cc(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)ccc1F ZINC001459339994 1067298415 /nfs/dbraw/zinc/29/84/15/1067298415.db2.gz SMXZZSDGDWMASY-FQEVSTJZSA-N 0 0 454.311 4.771 20 0 JJADRN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1cc(Br)c[nH]c1=O ZINC001453335222 1067298583 /nfs/dbraw/zinc/29/85/83/1067298583.db2.gz MTGNXPCMEJDKDT-UHFFFAOYSA-N 0 0 454.162 4.902 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)[nH]n2)cc1 ZINC001453341702 1067299407 /nfs/dbraw/zinc/29/94/07/1067299407.db2.gz SJXNUHPGSYSPLL-NRFANRHFSA-N 0 0 452.599 4.884 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(NC(C)C)c1 ZINC001453343770 1067299572 /nfs/dbraw/zinc/29/95/72/1067299572.db2.gz GYQQQRCBQYLNFW-ZDUSSCGKSA-N 0 0 454.493 4.801 20 0 JJADRN CCN(C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)[C@@H](C)C(=O)OC(C)(C)C ZINC001453353038 1067300076 /nfs/dbraw/zinc/30/00/76/1067300076.db2.gz CZBCVWGKEDNAJL-AWEZNQCLSA-N 0 0 452.477 4.740 20 0 JJADRN O=S(=O)(c1ccccc1)N1CCCN([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC001459348726 1067300105 /nfs/dbraw/zinc/30/01/05/1067300105.db2.gz ISTGONZWRFUMSI-XMMPIXPASA-N 0 0 458.986 4.965 20 0 JJADRN O=C(Cc1nc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1)Nc1ccccc1 ZINC001459348404 1067300221 /nfs/dbraw/zinc/30/02/21/1067300221.db2.gz RDBSUVLKGHJPPT-CHWSQXEVSA-N 0 0 451.436 4.887 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3Cc4ccc(NC(=O)C(F)(F)F)cc4C3)c2C(C)C)cc1 ZINC001453359709 1067301045 /nfs/dbraw/zinc/30/10/45/1067301045.db2.gz JJGMWDDZLISXAW-UHFFFAOYSA-N 0 0 456.468 4.961 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N(C)Cc1cccc(Br)c1 ZINC001459350923 1067301171 /nfs/dbraw/zinc/30/11/71/1067301171.db2.gz 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CCCCOc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cn1 ZINC001459364348 1067303856 /nfs/dbraw/zinc/30/38/56/1067303856.db2.gz WJPGJWRHJUUNSC-UHFFFAOYSA-N 0 0 454.548 4.897 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459365262 1067303909 /nfs/dbraw/zinc/30/39/09/1067303909.db2.gz AXXDTXNITAKCED-MJGOQNOKSA-N 0 0 458.249 4.869 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001459365253 1067304105 /nfs/dbraw/zinc/30/41/05/1067304105.db2.gz AXXDTXNITAKCED-HKUYNNGSSA-N 0 0 458.249 4.869 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC001453397774 1067304135 /nfs/dbraw/zinc/30/41/35/1067304135.db2.gz ILBOSPDSUUNFFZ-PQNGQFLHSA-N 0 0 477.605 4.583 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC001459369149 1067304790 /nfs/dbraw/zinc/30/47/90/1067304790.db2.gz APOUPVAFCLYZAJ-UHFFFAOYSA-N 0 0 452.923 4.977 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)O1 ZINC001546050884 1067305207 /nfs/dbraw/zinc/30/52/07/1067305207.db2.gz CTZCMBPWUAETBW-BALWLHIASA-N 0 0 497.684 4.680 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001459370120 1067305282 /nfs/dbraw/zinc/30/52/82/1067305282.db2.gz YWOQKPHVZFXEBP-QTLGCAHFSA-N 0 0 450.579 4.742 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)O1 ZINC001546050885 1067305393 /nfs/dbraw/zinc/30/53/93/1067305393.db2.gz CTZCMBPWUAETBW-PHVLTXCSSA-N 0 0 497.684 4.680 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1ccc(F)cc1F ZINC001459372433 1067305670 /nfs/dbraw/zinc/30/56/70/1067305670.db2.gz CKWANEQKZMHEFC-UHFFFAOYSA-N 0 0 451.517 4.746 20 0 JJADRN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453431490 1067305714 /nfs/dbraw/zinc/30/57/14/1067305714.db2.gz COCLOAJNPXGQLD-AWEZNQCLSA-N 0 0 452.363 4.521 20 0 JJADRN O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453431329 1067305853 /nfs/dbraw/zinc/30/58/53/1067305853.db2.gz CCXCZZYGWSCSCH-HNNXBMFYSA-N 0 0 452.960 4.740 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3C)c(O)c2)c1 ZINC001453435316 1067305879 /nfs/dbraw/zinc/30/58/79/1067305879.db2.gz QAVKLSPGSLTQAB-CPJLOUKISA-N 0 0 460.530 4.633 20 0 JJADRN COC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1OC(C)C ZINC001459373425 1067306280 /nfs/dbraw/zinc/30/62/80/1067306280.db2.gz HBPCNWKNNAYLEZ-UHFFFAOYSA-N 0 0 455.942 4.898 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546051017 1067306178 /nfs/dbraw/zinc/30/61/78/1067306178.db2.gz FTEBHBKTKVYJFT-JPYJTQIMSA-N 0 0 495.437 4.794 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)O1 ZINC001546050964 1067306380 /nfs/dbraw/zinc/30/63/80/1067306380.db2.gz DXURFVBTLRMSIT-AVRWGWEMSA-N 0 0 487.551 4.934 20 0 JJADRN C[Si](C)(C)c1ccc(CN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC001459374116 1067306774 /nfs/dbraw/zinc/30/67/74/1067306774.db2.gz BDRABLUOBONUOH-UHFFFAOYSA-N 0 0 458.678 4.769 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 ZINC001459375536 1067306863 /nfs/dbraw/zinc/30/68/63/1067306863.db2.gz LPHXDLOBNUGZOJ-SFHVURJKSA-N 0 0 455.396 4.920 20 0 JJADRN CC(C)c1c(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccccc1Cl ZINC001459375647 1067306892 /nfs/dbraw/zinc/30/68/92/1067306892.db2.gz JXIUVQMJQJMWLZ-SFHVURJKSA-N 0 0 452.986 4.941 20 0 JJADRN COc1cc(Cl)ccc1CN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001459375820 1067307240 /nfs/dbraw/zinc/30/72/40/1067307240.db2.gz FJMOUNPRZDEAGF-UHFFFAOYSA-N 0 0 450.966 4.886 20 0 JJADRN CCCCOc1ccc(C(=O)NCC(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)cc1 ZINC001453474786 1067307662 /nfs/dbraw/zinc/30/76/62/1067307662.db2.gz PKLLFXRIOVFESR-JOCHJYFZSA-N 0 0 458.986 4.627 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1)c1ccccc1 ZINC001459379437 1067307715 /nfs/dbraw/zinc/30/77/15/1067307715.db2.gz FLYAIXPTBKAKSQ-UHFFFAOYSA-N 0 0 456.464 4.877 20 0 JJADRN COc1cc(OC)c(OC)c2[nH]c(C(=O)N3C[C@@H](c4cccc(Cl)c4)OCC3(C)C)cc21 ZINC001453478812 1067308176 /nfs/dbraw/zinc/30/81/76/1067308176.db2.gz VRQVQXHOMFAPSD-FQEVSTJZSA-N 0 0 458.942 4.839 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1cc(-c2cncc(F)c2)ccc1C)c1cccc(Br)c1 ZINC001459379249 1067308300 /nfs/dbraw/zinc/30/83/00/1067308300.db2.gz UYRRQGRVQWHBPU-OAQYLSRUSA-N 0 0 456.315 4.775 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001459380744 1067308532 /nfs/dbraw/zinc/30/85/32/1067308532.db2.gz UQIOQMDVCUHQNV-IBGZPJMESA-N 0 0 455.393 4.554 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3CCOC[C@H]3c3cc(F)cc(F)c3)cc2)c(OC)c1 ZINC001453480458 1067308653 /nfs/dbraw/zinc/30/86/53/1067308653.db2.gz AJFLUIPSSWBBCY-QHCPKHFHSA-N 0 0 454.473 4.939 20 0 JJADRN O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCC[C@@](O)(c2ccccc2)C1 ZINC001453489037 1067308851 /nfs/dbraw/zinc/30/88/51/1067308851.db2.gz MNTHJEVQJQHZHP-QHCPKHFHSA-N 0 0 456.336 4.745 20 0 JJADRN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc2cc(Br)ccc2c1 ZINC001453485007 1067308877 /nfs/dbraw/zinc/30/88/77/1067308877.db2.gz ZBLNLGFDOKWMFZ-OAQYLSRUSA-N 0 0 459.771 4.891 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)O1 ZINC001546051774 1067309619 /nfs/dbraw/zinc/30/96/19/1067309619.db2.gz ONWYFIUTMJQHJU-SIKLNZKXSA-N 0 0 462.520 4.867 20 0 JJADRN O=C(NCc1ccc(I)cc1Cl)c1sccc1Br ZINC001459386116 1067310250 /nfs/dbraw/zinc/31/02/50/1067310250.db2.gz JLJIQCHECYNESR-UHFFFAOYSA-N 0 0 456.530 4.699 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)O1 ZINC001546052237 1067310817 /nfs/dbraw/zinc/31/08/17/1067310817.db2.gz TZAPFBZYQJTSIW-KGVIQGDOSA-N 0 0 467.536 4.544 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN(Cc1cccc(Br)c1)C1CC1 ZINC001459390019 1067310922 /nfs/dbraw/zinc/31/09/22/1067310922.db2.gz YNDQGZWOSZABAG-UHFFFAOYSA-N 0 0 451.386 4.599 20 0 JJADRN CC(C)Cc1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453534828 1067311292 /nfs/dbraw/zinc/31/12/92/1067311292.db2.gz AIBFDUAUSHRSBL-PMACEKPBSA-N 0 0 456.549 4.979 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(I)cc2Cl)c2ccc(F)cc2n1 ZINC001459391135 1067311277 /nfs/dbraw/zinc/31/12/77/1067311277.db2.gz XVWUXISHZQFYDE-UHFFFAOYSA-N 0 0 454.670 4.870 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2cc(Br)ccc2C)cc(Br)c1O ZINC001453532458 1067311428 /nfs/dbraw/zinc/31/14/28/1067311428.db2.gz MCPJASBHHWPGIC-XQRVVYSFSA-N 0 0 455.146 4.564 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532497 1067311487 /nfs/dbraw/zinc/31/14/87/1067311487.db2.gz BWLATMSYBSGHPQ-JTHBVZDNSA-N 0 0 456.608 4.526 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCC([C@@H]3CCCCO3)CC2)[C@H]1c1ccccc1OC ZINC001453537707 1067311993 /nfs/dbraw/zinc/31/19/93/1067311993.db2.gz YUQTVEMEGKLGBT-JCYRPKCISA-N 0 0 456.627 4.583 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)CC[C@@H]1C(F)(F)F ZINC001453537865 1067312021 /nfs/dbraw/zinc/31/20/21/1067312021.db2.gz DIEZORLBBFELNG-NXEZDXNNSA-N 0 0 454.480 4.754 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)s2)cc1 ZINC001459394415 1067312291 /nfs/dbraw/zinc/31/22/91/1067312291.db2.gz RHHUJVUZZRSIRW-NZQKXSOJSA-N 0 0 450.608 4.953 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CC[C@H]1C(F)(F)F ZINC001453545192 1067312725 /nfs/dbraw/zinc/31/27/25/1067312725.db2.gz NVIMCONGVSQFON-MAUKXSAKSA-N 0 0 458.496 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1[C@H]1CCCO1 ZINC001453549583 1067313716 /nfs/dbraw/zinc/31/37/16/1067313716.db2.gz KMBGGZGFMYKHQK-KFKAGJAMSA-N 0 0 457.398 4.804 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCSCC(C)C)C1 ZINC001546108593 1067313628 /nfs/dbraw/zinc/31/36/28/1067313628.db2.gz GCRCLZGGVJCMRB-HXUWFJFHSA-N 0 0 495.734 4.992 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(CCNC(C)=O)Cc3ccc(C)s3)cs2)cc1 ZINC001459401665 1067313880 /nfs/dbraw/zinc/31/38/80/1067313880.db2.gz JBGHVBSMTDLNBH-UHFFFAOYSA-N 0 0 457.621 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453550913 1067314031 /nfs/dbraw/zinc/31/40/31/1067314031.db2.gz PGIKQHZPWPGWAX-GOSISDBHSA-N 0 0 451.405 4.678 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC001453551127 1067314067 /nfs/dbraw/zinc/31/40/67/1067314067.db2.gz WGPGBPZNZWHHQK-FYQPLNBISA-N 0 0 454.533 4.807 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459402034 1067314197 /nfs/dbraw/zinc/31/41/97/1067314197.db2.gz BVXYITDACMRLKS-HKUYNNGSSA-N 0 0 458.628 4.777 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001459402044 1067314400 /nfs/dbraw/zinc/31/44/00/1067314400.db2.gz BVXYITDACMRLKS-PKOBYXMFSA-N 0 0 458.628 4.777 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ccc(Br)c3ncccc23)cc1Br ZINC001453570029 1067314771 /nfs/dbraw/zinc/31/47/71/1067314771.db2.gz RPSMAWWUVUSQPY-UHFFFAOYSA-N 0 0 451.118 4.603 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453575124 1067315180 /nfs/dbraw/zinc/31/51/80/1067315180.db2.gz FSLJVXGGKVMDOZ-SKFMWMRISA-N 0 0 458.643 4.983 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1nccc2cc[nH]c21)Nc1cccc(C(F)(F)F)c1 ZINC001453575182 1067315263 /nfs/dbraw/zinc/31/52/63/1067315263.db2.gz ISWGVKRMQOCCPO-UHFFFAOYSA-N 0 0 454.408 4.852 20 0 JJADRN COc1cc(-c2noc(CCC(=O)NCC3CC(c4ccccc4)C3)n2)cc(Cl)c1OC ZINC001459410501 1067315775 /nfs/dbraw/zinc/31/57/75/1067315775.db2.gz VMEIEJBSAVAQOG-UHFFFAOYSA-N 0 0 455.942 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)C1 ZINC001453580859 1067316040 /nfs/dbraw/zinc/31/60/40/1067316040.db2.gz UNFLAVSFHCNVGN-PZJWPPBQSA-N 0 0 451.498 4.614 20 0 JJADRN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001459411031 1067316086 /nfs/dbraw/zinc/31/60/86/1067316086.db2.gz FZDZCMRTHDJRBJ-UHFFFAOYSA-N 0 0 455.986 4.794 20 0 JJADRN COc1cccc(CN(C)C(=O)c2ccc(Cn3cccn3)cc2)c1OCc1ccccc1F ZINC001459412538 1067316424 /nfs/dbraw/zinc/31/64/24/1067316424.db2.gz HXQSNPLJCIWCDB-UHFFFAOYSA-N 0 0 459.521 4.930 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N[C@@]2(CO)CCCC(C)(C)C2)cs1 ZINC001453585819 1067316554 /nfs/dbraw/zinc/31/65/54/1067316554.db2.gz IKCZVRYQWNEMBW-FQEVSTJZSA-N 0 0 453.402 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)C1 ZINC001453582767 1067316579 /nfs/dbraw/zinc/31/65/79/1067316579.db2.gz UWOAGATUGZBCPG-RXKWHAPPSA-N 0 0 455.624 4.973 20 0 JJADRN C[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001453594522 1067317073 /nfs/dbraw/zinc/31/70/73/1067317073.db2.gz IBDIXTLTWQNDGY-VQIMIIECSA-N 0 0 451.654 4.760 20 0 JJADRN CCN(CC(=O)NCCOc1ccc(C(C)C)cc1)Cc1cc(Br)ccc1F ZINC001459413175 1067317252 /nfs/dbraw/zinc/31/72/52/1067317252.db2.gz HRWDMJFPYJIZSM-UHFFFAOYSA-N 0 0 451.380 4.729 20 0 JJADRN COC(=O)c1cnc(C2CCN(C(=O)c3cccc(Oc4ccc(Cl)cn4)c3)CC2)s1 ZINC001453600933 1067317355 /nfs/dbraw/zinc/31/73/55/1067317355.db2.gz HOCDZSBIVTYHFB-UHFFFAOYSA-N 0 0 457.939 4.790 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413840 1067317796 /nfs/dbraw/zinc/31/77/96/1067317796.db2.gz JBEYRBJMGUGYAX-UNMCSNQZSA-N 0 0 451.611 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)c2C1 ZINC001453603408 1067317937 /nfs/dbraw/zinc/31/79/37/1067317937.db2.gz YPOGIFHOLJYKCG-UYAOXDASSA-N 0 0 462.468 4.602 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2SC)O1 ZINC001546053445 1067317995 /nfs/dbraw/zinc/31/79/95/1067317995.db2.gz AQDGZQMUKDMVLJ-SQJMNOBHSA-N 0 0 451.640 4.970 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001459413835 1067317993 /nfs/dbraw/zinc/31/79/93/1067317993.db2.gz JBEYRBJMGUGYAX-RBBKRZOGSA-N 0 0 451.611 4.841 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)O1 ZINC001546053401 1067318273 /nfs/dbraw/zinc/31/82/73/1067318273.db2.gz AGDNNELKZDHIDE-ZXDNMGRFSA-N 0 0 481.685 4.514 20 0 JJADRN O=C(Cc1cccc(Cl)c1Cl)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453604657 1067318333 /nfs/dbraw/zinc/31/83/33/1067318333.db2.gz LPNDYCPRIHIUBC-HNNXBMFYSA-N 0 0 451.316 4.575 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c(OC)c1 ZINC001459414986 1067318522 /nfs/dbraw/zinc/31/85/22/1067318522.db2.gz NADXYDOCZBSBAW-UWJYYQICSA-N 0 0 450.457 4.579 20 0 JJADRN COc1cc(C(=O)Oc2cnc3c(Br)cccc3c2)cc(OC)c1OC(F)F ZINC001459416183 1067319035 /nfs/dbraw/zinc/31/90/35/1067319035.db2.gz UXEOSYKJESFDNK-UHFFFAOYSA-N 0 0 454.223 4.835 20 0 JJADRN CSc1ccc(CCCC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)cc1 ZINC001453614763 1067318958 /nfs/dbraw/zinc/31/89/58/1067318958.db2.gz XAZGUIKODJZAGQ-LJQANCHMSA-N 0 0 456.574 4.771 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453608252 1067319134 /nfs/dbraw/zinc/31/91/34/1067319134.db2.gz RBQVFSDFYWQKMA-GOSISDBHSA-N 0 0 454.533 4.655 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(OC)c3)C2)O1 ZINC001546053565 1067319581 /nfs/dbraw/zinc/31/95/81/1067319581.db2.gz CHKMBELWZIAMEY-XLGIIRLISA-N 0 0 456.631 4.801 20 0 JJADRN O=C(Oc1cnc2c(Br)cccc2c1)c1cc2c(c(Br)c1)OCO2 ZINC001459418880 1067320161 /nfs/dbraw/zinc/32/01/61/1067320161.db2.gz XIBZUYQMCRETEA-UHFFFAOYSA-N 0 0 451.070 4.708 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546053820 1067320713 /nfs/dbraw/zinc/32/07/13/1067320713.db2.gz FVMSJPIFZRMDST-GJZUVCINSA-N 0 0 488.076 4.565 20 0 JJADRN CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453677266 1067321376 /nfs/dbraw/zinc/32/13/76/1067321376.db2.gz BFCHYNDGUAHXAR-DNVJHFABSA-N 0 0 460.540 4.955 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453682579 1067321871 /nfs/dbraw/zinc/32/18/71/1067321871.db2.gz NHHYSNLUHKXRJN-JTUDCUDASA-N 0 0 476.442 4.843 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001453679763 1067321977 /nfs/dbraw/zinc/32/19/77/1067321977.db2.gz OZERQNXSKZRLOT-YCRPNKLZSA-N 0 0 477.030 4.947 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)C3(c4cc(C)no4)CCOCC3)nc21 ZINC001459424735 1067322368 /nfs/dbraw/zinc/32/23/68/1067322368.db2.gz QPIFNQSSWXUQCI-UHFFFAOYSA-N 0 0 450.358 4.605 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C[C@](C)(C(F)F)O1 ZINC001453686909 1067322332 /nfs/dbraw/zinc/32/23/32/1067322332.db2.gz AQMYBGUEEHAHCD-NSPYISDASA-N 0 0 459.262 4.660 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1c(F)cc(F)cc1Oc1ccccc1C)C2=O ZINC001453690025 1067322833 /nfs/dbraw/zinc/32/28/33/1067322833.db2.gz NIDUNMAOVYJJNZ-HNNXBMFYSA-N 0 0 450.441 4.997 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)CCCNC(=O)c3ccsc3)nc21 ZINC001459427853 1067323004 /nfs/dbraw/zinc/32/30/04/1067323004.db2.gz VRZRYDIYGSZRGX-UHFFFAOYSA-N 0 0 452.399 4.831 20 0 JJADRN C[C@](CO)(NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(C(F)(F)F)c1 ZINC001453697948 1067323343 /nfs/dbraw/zinc/32/33/43/1067323343.db2.gz KWGNWIPVWDXYSG-OAQYLSRUSA-N 0 0 452.379 4.808 20 0 JJADRN COCCCCN(C(=O)Cc1sc(C2CCC2)nc1C)c1ccc(Br)cn1 ZINC001459427795 1067323378 /nfs/dbraw/zinc/32/33/78/1067323378.db2.gz PIEAHYRCVWTFCK-UHFFFAOYSA-N 0 0 452.418 4.879 20 0 JJADRN O=C(N[C@H](CO)c1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)no1 ZINC001453700591 1067323518 /nfs/dbraw/zinc/32/35/18/1067323518.db2.gz DODDMJHQNUTPAR-OAHLLOKOSA-N 0 0 456.123 4.874 20 0 JJADRN C[C@](CO)(NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001453703053 1067323550 /nfs/dbraw/zinc/32/35/50/1067323550.db2.gz TUEYXHRFDUKCIT-LJQANCHMSA-N 0 0 458.267 4.835 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001459429137 1067323531 /nfs/dbraw/zinc/32/35/31/1067323531.db2.gz RSIWDEHEXOCOGT-HRAATJIYSA-N 0 0 453.539 4.540 20 0 JJADRN O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001459429638 1067323925 /nfs/dbraw/zinc/32/39/25/1067323925.db2.gz UXVOCCRUAUQUPE-HNAYVOBHSA-N 0 0 450.284 4.825 20 0 JJADRN O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001459429637 1067324037 /nfs/dbraw/zinc/32/40/37/1067324037.db2.gz UXVOCCRUAUQUPE-DNVCBOLYSA-N 0 0 450.284 4.825 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)O1 ZINC001546054052 1067324393 /nfs/dbraw/zinc/32/43/93/1067324393.db2.gz JCMKHRGAZDYLAE-HFZDXXHNSA-N 0 0 455.647 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](Oc3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001453712620 1067324456 /nfs/dbraw/zinc/32/44/56/1067324456.db2.gz NDTPZFMMTORUCS-ZLNRFVROSA-N 0 0 470.997 4.970 20 0 JJADRN COc1ccc2c(c1)CCCN(CC(=O)N(C)[C@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435033 1067324887 /nfs/dbraw/zinc/32/48/87/1067324887.db2.gz CLOHWRQRRNXYDN-SANMLTNESA-N 0 0 454.998 4.594 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C)cc1 ZINC001453737931 1067325102 /nfs/dbraw/zinc/32/51/02/1067325102.db2.gz MBYUJGWJGVMPNS-KRWDZBQOSA-N 0 0 454.523 4.531 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)Cc1csc(C2CCCC2)n1)c1ccc(Br)cc1 ZINC001453739759 1067325590 /nfs/dbraw/zinc/32/55/90/1067325590.db2.gz CDBOXTGCGRIKED-IBGZPJMESA-N 0 0 459.413 4.745 20 0 JJADRN CON(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001453739684 1067325624 /nfs/dbraw/zinc/32/56/24/1067325624.db2.gz MJYLWLCTAFEFNS-ZAAXVRCTSA-N 0 0 450.457 4.861 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001459446247 1067326193 /nfs/dbraw/zinc/32/61/93/1067326193.db2.gz GINDHYOUQIEHHC-HNNXBMFYSA-N 0 0 452.860 4.761 20 0 JJADRN CC(C)(C)N1C[C@@H](CNC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)CC1=O ZINC001453745467 1067326770 /nfs/dbraw/zinc/32/67/70/1067326770.db2.gz WQUZZDIIQPXROW-QGZVFWFLSA-N 0 0 450.970 4.570 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)O1 ZINC001546054466 1067326832 /nfs/dbraw/zinc/32/68/32/1067326832.db2.gz OMHQDQIUFVUCHC-PMAPCBKXSA-N 0 0 450.986 4.949 20 0 JJADRN COc1cc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c(OC)cc1Cl ZINC001459453541 1067326881 /nfs/dbraw/zinc/32/68/81/1067326881.db2.gz MMLSTDUKQZDIKN-SFHVURJKSA-N 0 0 456.930 4.573 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)cc2C1=O ZINC001459453787 1067327777 /nfs/dbraw/zinc/32/77/77/1067327777.db2.gz RZAQSVKUODNHKQ-UHFFFAOYSA-N 0 0 454.832 4.930 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)cnc21 ZINC001459455727 1067328253 /nfs/dbraw/zinc/32/82/53/1067328253.db2.gz LLXZHEXUBJZJDP-UHFFFAOYSA-N 0 0 452.742 4.834 20 0 JJADRN Cn1c2cc(NC(=O)CCCCc3ccc(Cl)cc3)c(N3CCCCC3)cc2n(C)c1=O ZINC001459458537 1067328557 /nfs/dbraw/zinc/32/85/57/1067328557.db2.gz JILYFGNQBFGTJQ-UHFFFAOYSA-N 0 0 455.002 4.872 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1)c1ccc(F)cc1F ZINC001453769711 1067328547 /nfs/dbraw/zinc/32/85/47/1067328547.db2.gz LGMOYDTVTBOWFB-ROUUACIJSA-N 0 0 454.420 4.956 20 0 JJADRN NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)cc1 ZINC001453770778 1067328604 /nfs/dbraw/zinc/32/86/04/1067328604.db2.gz MTDUQXHURFTLOR-IBGZPJMESA-N 0 0 455.486 4.512 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cn1)c1ccc(Br)cc1 ZINC001453774352 1067328942 /nfs/dbraw/zinc/32/89/42/1067328942.db2.gz RHTDVRDHAMXXMK-FQEVSTJZSA-N 0 0 453.340 4.794 20 0 JJADRN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001459458649 1067328975 /nfs/dbraw/zinc/32/89/75/1067328975.db2.gz VBYRZJBRDXZYQC-LJQANCHMSA-N 0 0 451.615 4.726 20 0 JJADRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001459458647 1067328988 /nfs/dbraw/zinc/32/89/88/1067328988.db2.gz VBYRZJBRDXZYQC-IBGZPJMESA-N 0 0 451.615 4.726 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001453779670 1067329370 /nfs/dbraw/zinc/32/93/70/1067329370.db2.gz HDYWVWBTVURFRI-SFHVURJKSA-N 0 0 457.415 4.971 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001453777929 1067329396 /nfs/dbraw/zinc/32/93/96/1067329396.db2.gz CEILWSVBDSVNOM-FQEVSTJZSA-N 0 0 453.308 4.580 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC001453776984 1067329506 /nfs/dbraw/zinc/32/95/06/1067329506.db2.gz VPZJJKQKSWTBJS-CYBMUJFWSA-N 0 0 458.506 4.680 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)CCc1nc(-c3cc(Br)cs3)no1)CC2 ZINC001459461930 1067329808 /nfs/dbraw/zinc/32/98/08/1067329808.db2.gz TUPLJWOQKWSWGZ-UHFFFAOYSA-N 0 0 450.333 4.526 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1O)NC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001453786831 1067329818 /nfs/dbraw/zinc/32/98/18/1067329818.db2.gz NBAYAOLDADNXBG-YZGWOWMVSA-N 0 0 462.373 4.798 20 0 JJADRN C[C@H]1Cn2nc(C(=O)Nc3cc(Cl)c(O)c4ccccc34)cc2CN1C(=O)OC(C)(C)C ZINC001453784230 1067329830 /nfs/dbraw/zinc/32/98/30/1067329830.db2.gz TUTUZERHHDHZIP-ZDUSSCGKSA-N 0 0 456.930 4.787 20 0 JJADRN COc1nsc(CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1Br ZINC001453798944 1067330024 /nfs/dbraw/zinc/33/00/24/1067330024.db2.gz GIYSDXHYYIKEDL-UHFFFAOYSA-N 0 0 454.733 4.685 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCO4)c2)c1 ZINC001453811450 1067330255 /nfs/dbraw/zinc/33/02/55/1067330255.db2.gz JDBZBMGLLGDEDA-GOSISDBHSA-N 0 0 450.560 4.612 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)NCc3nnc4ccc(Cl)cn43)cc2c1 ZINC001453813007 1067330321 /nfs/dbraw/zinc/33/03/21/1067330321.db2.gz LRQRKRVKGXWWHW-UHFFFAOYSA-N 0 0 457.943 4.874 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC001453819031 1067330589 /nfs/dbraw/zinc/33/05/89/1067330589.db2.gz NUUMWJDAFGRDBG-AKVMTLGRSA-N 0 0 455.860 4.544 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)[C@@H](O)c1ccc(Cl)cc1 ZINC001453822866 1067330827 /nfs/dbraw/zinc/33/08/27/1067330827.db2.gz RITOCYDIJQGLSK-RPWUZVMVSA-N 0 0 457.954 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(F)c2F)[C@@H](c2ccccc2Cl)C1 ZINC001459464054 1067330929 /nfs/dbraw/zinc/33/09/29/1067330929.db2.gz JQZFAGXRENGPKA-LJQANCHMSA-N 0 0 450.913 4.981 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001453821793 1067331032 /nfs/dbraw/zinc/33/10/32/1067331032.db2.gz ZALYYKHDXMNMDW-UHFFFAOYSA-N 0 0 452.820 4.676 20 0 JJADRN COC(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)c1 ZINC001459463722 1067331050 /nfs/dbraw/zinc/33/10/50/1067331050.db2.gz IHNLJZPTAYSOIW-HXUWFJFHSA-N 0 0 458.942 4.561 20 0 JJADRN CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2c(Cl)cccc2Br)C1 ZINC001453823256 1067331364 /nfs/dbraw/zinc/33/13/64/1067331364.db2.gz BLJPWPBRHDQBND-UHFFFAOYSA-N 0 0 450.695 4.705 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC001453824850 1067331507 /nfs/dbraw/zinc/33/15/07/1067331507.db2.gz AAYCDIPDJQINRE-UHFFFAOYSA-N 0 0 452.486 4.636 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc3c1OC(C)(C)CC3)C2=O ZINC001453838284 1067331764 /nfs/dbraw/zinc/33/17/64/1067331764.db2.gz AVOLXXFRXPNPNJ-UHFFFAOYSA-N 0 0 455.599 4.646 20 0 JJADRN O=C(NCc1nnc2ccc(Cl)cn21)c1ccccc1Oc1cccc(Br)c1 ZINC001453836506 1067331802 /nfs/dbraw/zinc/33/18/02/1067331802.db2.gz ZWOZERGPWZJNRM-UHFFFAOYSA-N 0 0 457.715 4.868 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)O1 ZINC001546055338 1067331940 /nfs/dbraw/zinc/33/19/40/1067331940.db2.gz ZQCNHHJWKJNYHS-NQHRYMMQSA-N 0 0 461.050 4.662 20 0 JJADRN CN(C)c1cc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1 ZINC001459467635 1067331994 /nfs/dbraw/zinc/33/19/94/1067331994.db2.gz LDLFLWHHBXLDNC-QFIPXVFZSA-N 0 0 455.521 4.635 20 0 JJADRN O=C(CN1CCO[C@@H](c2ccccc2Cl)C1)NCc1ccccc1COc1ccccc1 ZINC001459469745 1067332919 /nfs/dbraw/zinc/33/29/19/1067332919.db2.gz YSYNCNVPXWSLKC-RUZDIDTESA-N 0 0 450.966 4.609 20 0 JJADRN COC1(c2noc(CC3CCN(C(=O)c4cc(Cl)c(Cl)nc4C)CC3)n2)CCCC1 ZINC001453872112 1067333026 /nfs/dbraw/zinc/33/30/26/1067333026.db2.gz KMQMREQQFPTTJZ-UHFFFAOYSA-N 0 0 453.370 4.590 20 0 JJADRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1C ZINC001453874471 1067333105 /nfs/dbraw/zinc/33/31/05/1067333105.db2.gz SEYYUTKHBILLPZ-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472503 1067333625 /nfs/dbraw/zinc/33/36/25/1067333625.db2.gz BGWIEELNQWCINA-SFHVURJKSA-N 0 0 450.608 4.630 20 0 JJADRN Cc1cc(C)c(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c(C)c1 ZINC001459471211 1067333866 /nfs/dbraw/zinc/33/38/66/1067333866.db2.gz ZLNGUHBPMSHEFK-QFIPXVFZSA-N 0 0 456.558 4.950 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1C ZINC001453888665 1067334632 /nfs/dbraw/zinc/33/46/32/1067334632.db2.gz HXEDQXBNQLETMH-NSPYISDASA-N 0 0 450.370 4.631 20 0 JJADRN COc1ccc2oc(C)c(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccncc3)c2c1 ZINC001459477520 1067334919 /nfs/dbraw/zinc/33/49/19/1067334919.db2.gz HJHVNYNNQDNTSD-HXUWFJFHSA-N 0 0 451.523 4.579 20 0 JJADRN O=C(c1nc2ccc(Br)cn2c1F)N1CC[C@H]1c1ccc(Br)cc1 ZINC001453926595 1067335422 /nfs/dbraw/zinc/33/54/22/1067335422.db2.gz AOJZWIJYCCTWGU-ZDUSSCGKSA-N 0 0 453.109 4.586 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCCOc2ccccc2Cl)[C@H](c2ccncc2)C1 ZINC001459482563 1067335772 /nfs/dbraw/zinc/33/57/72/1067335772.db2.gz KHZJYSGPADTKHX-FQEVSTJZSA-N 0 0 459.974 4.715 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC001459485421 1067336635 /nfs/dbraw/zinc/33/66/35/1067336635.db2.gz LZAOYWGYSLVHFE-QZTJIDSGSA-N 0 0 456.537 4.667 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)c2)c(C)c1 ZINC001459484750 1067336735 /nfs/dbraw/zinc/33/67/35/1067336735.db2.gz NAPLXGPGJXXWQZ-HXUWFJFHSA-N 0 0 457.299 4.831 20 0 JJADRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001459491620 1067337641 /nfs/dbraw/zinc/33/76/41/1067337641.db2.gz VRTGVYAMOOWAMV-CQSZACIVSA-N 0 0 455.255 4.853 20 0 JJADRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001459491671 1067337653 /nfs/dbraw/zinc/33/76/53/1067337653.db2.gz VUIOSNQJKOQNMP-UXHICEINSA-N 0 0 459.974 4.713 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001459491837 1067337850 /nfs/dbraw/zinc/33/78/50/1067337850.db2.gz WHNDZKWAKOCKLZ-LKFCYVNXSA-N 0 0 453.358 4.928 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1 ZINC001459493416 1067337906 /nfs/dbraw/zinc/33/79/06/1067337906.db2.gz WQPMHDSJEOUNFU-XLIONFOSSA-N 0 0 459.974 4.631 20 0 JJADRN COCc1c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)sc2cccc(F)c21 ZINC001459493396 1067338013 /nfs/dbraw/zinc/33/80/13/1067338013.db2.gz WOFKYAXIQMFNTE-AWEZNQCLSA-N 0 0 454.292 4.952 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001459493641 1067338424 /nfs/dbraw/zinc/33/84/24/1067338424.db2.gz MAHOGNMRBUQYJG-QRWLVFNGSA-N 0 0 457.334 4.880 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(CC/C=C/c3ccc(Br)cc3)CC2)c1 ZINC001459493880 1067338457 /nfs/dbraw/zinc/33/84/57/1067338457.db2.gz YJWOTCQMIGNQKZ-BEGIUABZSA-N 0 0 457.412 4.773 20 0 JJADRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496216 1067338934 /nfs/dbraw/zinc/33/89/34/1067338934.db2.gz ZSJBZPIOGFZYEX-GUYCJALGSA-N 0 0 455.864 4.842 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001459509412 1067340925 /nfs/dbraw/zinc/34/09/25/1067340925.db2.gz FGCHKBYRICHGRX-FQEVSTJZSA-N 0 0 457.412 4.967 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001459507821 1067341180 /nfs/dbraw/zinc/34/11/80/1067341180.db2.gz CHINARAATOHIKH-KRWDZBQOSA-N 0 0 454.546 4.829 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001459507827 1067341193 /nfs/dbraw/zinc/34/11/93/1067341193.db2.gz CHINARAATOHIKH-QGZVFWFLSA-N 0 0 454.546 4.829 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)COc1ccc(I)cc1 ZINC001459509985 1067341714 /nfs/dbraw/zinc/34/17/14/1067341714.db2.gz NBCSYXSIXUATOB-UHFFFAOYSA-N 0 0 458.299 4.603 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Oc1cc(F)c(Br)cc1Cl ZINC001459515176 1067342713 /nfs/dbraw/zinc/34/27/13/1067342713.db2.gz ROFMPKKQSIRUHJ-UHFFFAOYSA-N 0 0 453.489 4.935 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521166 1067343538 /nfs/dbraw/zinc/34/35/38/1067343538.db2.gz OLAHEGOGQWYMSP-DLBZAZTESA-N 0 0 450.576 4.823 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)co1 ZINC001459530905 1067346414 /nfs/dbraw/zinc/34/64/14/1067346414.db2.gz SAAJEQOWKHHLFU-UHFFFAOYSA-N 0 0 454.273 4.629 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)c2cccc(CSc3ccc(C)cc3C)c2)O1 ZINC001459531841 1067346660 /nfs/dbraw/zinc/34/66/60/1067346660.db2.gz YTCBGYOZFVJUAR-QQUTXWOLSA-N 0 0 453.604 4.919 20 0 JJADRN O=C(Nc1ccc(Br)c2cccnc12)c1cc2c(c(Br)c1)OCO2 ZINC001459532577 1067346762 /nfs/dbraw/zinc/34/67/62/1067346762.db2.gz YDMTWZWNMMFRPD-UHFFFAOYSA-N 0 0 450.086 4.741 20 0 JJADRN O=C(Nc1cccc(Br)c1Cl)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459533502 1067347141 /nfs/dbraw/zinc/34/71/41/1067347141.db2.gz UXPFMPXHJNNBFX-LLVKDONJSA-N 0 0 451.777 4.962 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccncc2OCC(F)(F)F)c1 ZINC001459533305 1067347186 /nfs/dbraw/zinc/34/71/86/1067347186.db2.gz RLHHRVYWPAGFGX-UHFFFAOYSA-N 0 0 459.852 4.953 20 0 JJADRN COC(=O)C1(NCC(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)CCCCC1 ZINC001459541199 1067347813 /nfs/dbraw/zinc/34/78/13/1067347813.db2.gz ZUSZSABJWILOLP-UHFFFAOYSA-N 0 0 451.592 4.603 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Br)c1C ZINC001459545870 1067348362 /nfs/dbraw/zinc/34/83/62/1067348362.db2.gz BIECXRLYDAAXNE-UHFFFAOYSA-N 0 0 458.183 4.843 20 0 JJADRN CC(C)[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC001459545637 1067348632 /nfs/dbraw/zinc/34/86/32/1067348632.db2.gz AVWBNWKHTKCRNB-FQEVSTJZSA-N 0 0 456.377 4.656 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001459550847 1067348939 /nfs/dbraw/zinc/34/89/39/1067348939.db2.gz RKHMWJAMIKBRQW-UHFFFAOYSA-N 0 0 451.247 4.930 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001459549552 1067348964 /nfs/dbraw/zinc/34/89/64/1067348964.db2.gz YOGUKBKZUOBTRR-NRFANRHFSA-N 0 0 458.389 4.964 20 0 JJADRN CN(C)c1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc(C(F)(F)F)c1 ZINC001459563351 1067352421 /nfs/dbraw/zinc/35/24/21/1067352421.db2.gz KSPGAEWBVFLYMW-INIZCTEOSA-N 0 0 456.306 4.543 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001459566098 1067353149 /nfs/dbraw/zinc/35/31/49/1067353149.db2.gz AOVBFSHSDQSLFX-KRWDZBQOSA-N 0 0 454.258 4.658 20 0 JJADRN C[C@@H]1CC(=O)Oc2cc(OC(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)ccc21 ZINC001459565161 1067353187 /nfs/dbraw/zinc/35/31/87/1067353187.db2.gz RALNPEXTEKJJFS-FEZUXKAZSA-N 0 0 453.922 4.753 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)C1(CCCOCc2ccccc2)CC1 ZINC001459565735 1067353222 /nfs/dbraw/zinc/35/32/22/1067353222.db2.gz WQKDUHXJIBVDAR-NRFANRHFSA-N 0 0 457.412 4.921 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)OCc3cc(Cl)ccc3OCC3CC3)CCC(=O)N2C)cc1 ZINC001459566204 1067353263 /nfs/dbraw/zinc/35/32/63/1067353263.db2.gz ASARVDKQIAXZKW-QPPBQGQZSA-N 0 0 457.954 4.790 20 0 JJADRN Cc1cc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)ccc1N1CCOCC1 ZINC001459567122 1067353606 /nfs/dbraw/zinc/35/36/06/1067353606.db2.gz FFCVRNSPUQYNHI-UHFFFAOYSA-N 0 0 450.476 4.951 20 0 JJADRN O=C(CCc1cccc(Br)c1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001459568427 1067354329 /nfs/dbraw/zinc/35/43/29/1067354329.db2.gz JOUMQGKIQGDPHP-UHFFFAOYSA-N 0 0 457.393 4.581 20 0 JJADRN COC[C@]1(C(=O)Nc2cccc(OCCc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001459572736 1067355201 /nfs/dbraw/zinc/35/52/01/1067355201.db2.gz DZSVGAYESNDZEM-SANMLTNESA-N 0 0 454.567 4.520 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459576335 1067355492 /nfs/dbraw/zinc/35/54/92/1067355492.db2.gz KKHJJCAWWRGOJU-FQEVSTJZSA-N 0 0 455.396 4.665 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccn1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001459582976 1067357167 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XVPZFGFDVFVONF-SJKOYZFVSA-N 0 0 452.910 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459607022 1067361692 /nfs/dbraw/zinc/36/16/92/1067361692.db2.gz GAKANEFPZQILGI-SCLBCKFNSA-N 0 0 451.445 4.686 20 0 JJADRN C[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001459607283 1067361859 /nfs/dbraw/zinc/36/18/59/1067361859.db2.gz HZPPHOQPSZQQQQ-BEFAXECRSA-N 0 0 458.430 4.577 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607424 1067362338 /nfs/dbraw/zinc/36/23/38/1067362338.db2.gz IUUNKVXZMIQOBL-HXUWFJFHSA-N 0 0 454.368 4.889 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459610054 1067362724 /nfs/dbraw/zinc/36/27/24/1067362724.db2.gz XLIJBSZLBSYFMY-GOSISDBHSA-N 0 0 451.473 4.572 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001459609773 1067362949 /nfs/dbraw/zinc/36/29/49/1067362949.db2.gz MSLNBYLPIJWEEP-JOCHJYFZSA-N 0 0 453.384 4.934 20 0 JJADRN 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CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC001459686158 1067383425 /nfs/dbraw/zinc/38/34/25/1067383425.db2.gz DITPUHXASLHULY-DJJJIMSYSA-N 0 0 453.391 4.785 20 0 JJADRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001459686116 1067383544 /nfs/dbraw/zinc/38/35/44/1067383544.db2.gz CDUBKDSEBXRHDV-QGZVFWFLSA-N 0 0 458.383 4.719 20 0 JJADRN Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)cc1C(=O)N1CCCCC1 ZINC001459687321 1067383734 /nfs/dbraw/zinc/38/37/34/1067383734.db2.gz SZEHZRRUVPNNPL-UHFFFAOYSA-N 0 0 455.599 4.787 20 0 JJADRN O=C(Nc1ncc(-c2ccccc2)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001459687205 1067383788 /nfs/dbraw/zinc/38/37/88/1067383788.db2.gz DNBWOMFFLIVJRM-UHFFFAOYSA-N 0 0 454.452 4.653 20 0 JJADRN CCCN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459688881 1067384617 /nfs/dbraw/zinc/38/46/17/1067384617.db2.gz CQKKGMVNKWJSCY-INIZCTEOSA-N 0 0 457.368 4.799 20 0 JJADRN C[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001459690008 1067384844 /nfs/dbraw/zinc/38/48/44/1067384844.db2.gz NPBKKEFYOKFBHP-OLZOCXBDSA-N 0 0 453.370 4.820 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)nc1Br ZINC001459690210 1067384863 /nfs/dbraw/zinc/38/48/63/1067384863.db2.gz VNHMCZYEIQQCBH-UHFFFAOYSA-N 0 0 455.177 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ncc(-c3ccccc3)cn2)C1 ZINC001459691274 1067385350 /nfs/dbraw/zinc/38/53/50/1067385350.db2.gz PAIAGRSXNMQFAF-FYYLOGMGSA-N 0 0 458.562 4.808 20 0 JJADRN CCN(C(=O)c1cc(I)cc(Br)c1C)c1cccnc1C ZINC001459692702 1067385457 /nfs/dbraw/zinc/38/54/57/1067385457.db2.gz XBMXCPBXBVEFIB-UHFFFAOYSA-N 0 0 459.125 4.732 20 0 JJADRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)CSc1cccc(Br)c1 ZINC001459694337 1067386290 /nfs/dbraw/zinc/38/62/90/1067386290.db2.gz HYTKOSGZPICZHS-MRXNPFEDSA-N 0 0 456.409 4.827 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC001459695419 1067386406 /nfs/dbraw/zinc/38/64/06/1067386406.db2.gz YRMRBPQVOVRBQL-XJKSGUPXSA-N 0 0 455.146 4.515 20 0 JJADRN CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1 ZINC001459696557 1067386980 /nfs/dbraw/zinc/38/69/80/1067386980.db2.gz SXBUMDOAWVSMFP-UHFFFAOYSA-N 0 0 458.511 4.604 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001459698323 1067387449 /nfs/dbraw/zinc/38/74/49/1067387449.db2.gz YPBXSMISYNZIDI-VFNWGFHPSA-N 0 0 453.366 4.801 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001459705486 1067389059 /nfs/dbraw/zinc/38/90/59/1067389059.db2.gz FSRMMCCWWJYCHO-OAQYLSRUSA-N 0 0 459.974 4.635 20 0 JJADRN Cc1ccc(NC(=O)CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1Cl ZINC001459707471 1067389788 /nfs/dbraw/zinc/38/97/88/1067389788.db2.gz OOROAXIARVZTCX-UHFFFAOYSA-N 0 0 458.990 4.667 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN(C)[C@@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707642 1067390355 /nfs/dbraw/zinc/39/03/55/1067390355.db2.gz LOCRSQKALGMCML-GOSISDBHSA-N 0 0 458.609 4.540 20 0 JJADRN COc1ccc(OC)c(-c2csc(NC(=O)CN(C)[C@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707643 1067390436 /nfs/dbraw/zinc/39/04/36/1067390436.db2.gz LOCRSQKALGMCML-SFHVURJKSA-N 0 0 458.609 4.540 20 0 JJADRN C[C@](NCc1ccc(Br)c2cccnc12)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001459709704 1067390745 /nfs/dbraw/zinc/39/07/45/1067390745.db2.gz YGJLBQSIRUKMMR-LJQANCHMSA-N 0 0 452.274 4.506 20 0 JJADRN Oc1cc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc(C(F)(F)F)c1 ZINC001459709789 1067390821 /nfs/dbraw/zinc/39/08/21/1067390821.db2.gz YWMHTDUFYPCTDG-UHFFFAOYSA-N 0 0 451.489 4.991 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)c1 ZINC001459710337 1067391129 /nfs/dbraw/zinc/39/11/29/1067391129.db2.gz LVSYCOXKOPKDEM-UHFFFAOYSA-N 0 0 454.368 4.911 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1I ZINC001459711980 1067391961 /nfs/dbraw/zinc/39/19/61/1067391961.db2.gz ZLVBYUMJFSNFOO-UHFFFAOYSA-N 0 0 455.202 4.840 20 0 JJADRN COC(=O)[C@H](C)N(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Br)cc1C ZINC001459712706 1067392414 /nfs/dbraw/zinc/39/24/14/1067392414.db2.gz PQLZXNOSBUPDLW-CFVMTHIKSA-N 0 0 452.295 4.734 20 0 JJADRN CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1nc2cccc(Cl)c2s1 ZINC001459713798 1067392910 /nfs/dbraw/zinc/39/29/10/1067392910.db2.gz DNOVPCJEDZNZOS-DOMZBBRYSA-N 0 0 452.761 4.848 20 0 JJADRN CC(C)c1oc([C@@H]2CCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 ZINC001459718167 1067394769 /nfs/dbraw/zinc/39/47/69/1067394769.db2.gz RFIGIZIVHDWHEY-FCHUYYIVSA-N 0 0 454.592 4.739 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](CCC(C)(C)C)C(N)=O)c2c1C ZINC001459719110 1067395092 /nfs/dbraw/zinc/39/50/92/1067395092.db2.gz KJPHLLPZTTYTFB-MRXNPFEDSA-N 0 0 456.637 4.869 20 0 JJADRN CC(=O)N(c1nc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cs1)c1ccc(C)cc1 ZINC001459724140 1067396474 /nfs/dbraw/zinc/39/64/74/1067396474.db2.gz WEBLWEXNTAFJMF-XMMPIXPASA-N 0 0 458.628 4.919 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC001459726037 1067396705 /nfs/dbraw/zinc/39/67/05/1067396705.db2.gz IAKHSBVZPNLQMQ-ZDUSSCGKSA-N 0 0 450.295 4.592 20 0 JJADRN COc1ccc(CCCC(=O)N[C@H](C)CCc2ccc(I)cc2)cc1 ZINC001459727947 1067397676 /nfs/dbraw/zinc/39/76/76/1067397676.db2.gz TVQZTUYZMGXIET-MRXNPFEDSA-N 0 0 451.348 4.760 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)O[C@@H](C)c2c(F)cccc2F)cc1 ZINC001459728753 1067397943 /nfs/dbraw/zinc/39/79/43/1067397943.db2.gz BEHCQDGIAPDSTR-AWEZNQCLSA-N 0 0 451.491 4.508 20 0 JJADRN O=C(CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cc(Cl)ccc1Cl ZINC001459728756 1067397957 /nfs/dbraw/zinc/39/79/57/1067397957.db2.gz FOWHXGKJBHSWPG-CQSZACIVSA-N 0 0 453.345 4.605 20 0 JJADRN O=C(CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cc(Cl)ccc1Cl ZINC001459728752 1067397979 /nfs/dbraw/zinc/39/79/79/1067397979.db2.gz FOWHXGKJBHSWPG-AWEZNQCLSA-N 0 0 453.345 4.605 20 0 JJADRN C[C@@]1(NC(=O)c2cc(Cl)cc(Br)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001459739531 1067400888 /nfs/dbraw/zinc/40/08/88/1067400888.db2.gz XDFGLUFOQNEBSU-HXUWFJFHSA-N 0 0 451.748 4.634 20 0 JJADRN O=C(CN(CCCOc1ccc2c(c1)OCO2)Cc1ccccc1F)Nc1ccccc1F ZINC001459739733 1067400973 /nfs/dbraw/zinc/40/09/73/1067400973.db2.gz CGYCLHZNQOAPJU-UHFFFAOYSA-N 0 0 454.473 4.603 20 0 JJADRN COCCN(C(=O)C[C@H](C)CCc1ccc(I)cc1)[C@H]1CC[C@H](C)C1 ZINC001459740604 1067401584 /nfs/dbraw/zinc/40/15/84/1067401584.db2.gz LKHYMOMFITVSRC-QKLQHJQFSA-N 0 0 457.396 4.914 20 0 JJADRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(Br)ccc1Br ZINC001459741175 1067401927 /nfs/dbraw/zinc/40/19/27/1067401927.db2.gz DEOZKAYCBAHDCT-UHFFFAOYSA-N 0 0 457.137 4.786 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001459744260 1067403056 /nfs/dbraw/zinc/40/30/56/1067403056.db2.gz WJAAAPRVBUWSIR-QWHCGFSZSA-N 0 0 455.773 4.720 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001459745683 1067404025 /nfs/dbraw/zinc/40/40/25/1067404025.db2.gz AVMGTJQQWQMZFA-FQEVSTJZSA-N 0 0 451.611 4.841 20 0 JJADRN CN1c2cc(Br)ccc2N(C(=O)c2cnc(F)c(Br)c2)CC1(C)C ZINC001459746484 1067404032 /nfs/dbraw/zinc/40/40/32/1067404032.db2.gz CIIQFMWPBMQACD-UHFFFAOYSA-N 0 0 457.141 4.621 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3CC(C)(C)N(C)c4cc(Br)ccc43)cn2)n1 ZINC001459747134 1067404427 /nfs/dbraw/zinc/40/44/27/1067404427.db2.gz DYSCGZMPVCGXNJ-UHFFFAOYSA-N 0 0 454.372 4.522 20 0 JJADRN O=C(Cc1ccccc1)N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001459747328 1067404461 /nfs/dbraw/zinc/40/44/61/1067404461.db2.gz GOXHCIYGOXXYHK-UHFFFAOYSA-N 0 0 458.524 4.821 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC(C)(C)c2c1cccc2Cl ZINC001459748163 1067404464 /nfs/dbraw/zinc/40/44/64/1067404464.db2.gz PIASQMCSUXPJGC-MRXNPFEDSA-N 0 0 451.954 4.988 20 0 JJADRN CN1c2cc(Br)ccc2N(C(=O)c2cc(Br)cnc2F)CC1(C)C ZINC001459748961 1067405424 /nfs/dbraw/zinc/40/54/24/1067405424.db2.gz OAKOYLHCJFSAQS-UHFFFAOYSA-N 0 0 457.141 4.621 20 0 JJADRN CCc1sc(C(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1Br ZINC001459750155 1067405959 /nfs/dbraw/zinc/40/59/59/1067405959.db2.gz ZOPNSQJJHVRFIT-UHFFFAOYSA-N 0 0 456.163 4.669 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1ccnn1-c1ccc(Br)cn1 ZINC001459750122 1067405995 /nfs/dbraw/zinc/40/59/95/1067405995.db2.gz YITZJGQJJSYQAY-VMPITWQZSA-N 0 0 453.218 4.580 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC001459751759 1067406357 /nfs/dbraw/zinc/40/63/57/1067406357.db2.gz HVLDROXEQPOVNS-VOJFVSQTSA-N 0 0 479.293 4.933 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1)OCc1ccccc1 ZINC001459752795 1067406919 /nfs/dbraw/zinc/40/69/19/1067406919.db2.gz GUTXAQRNYMKPNF-SFHVURJKSA-N 0 0 453.539 4.728 20 0 JJADRN O=C(NCc1c(F)cccc1OC(F)F)c1cc(Br)sc1Br ZINC001459754233 1067407258 /nfs/dbraw/zinc/40/72/58/1067407258.db2.gz OCNCUKPPYXAYEG-UHFFFAOYSA-N 0 0 459.081 4.944 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001459754352 1067407907 /nfs/dbraw/zinc/40/79/07/1067407907.db2.gz FIGNKUYSYCAJAF-XMMPIXPASA-N 0 0 452.982 4.509 20 0 JJADRN CN1c2cc(Br)ccc2N(C(=O)CCc2nc(-c3ccccc3)no2)CC1(C)C ZINC001459755948 1067408437 /nfs/dbraw/zinc/40/84/37/1067408437.db2.gz RFXBVODAGRLTHT-UHFFFAOYSA-N 0 0 455.356 4.693 20 0 JJADRN O=C(c1ccc(I)cc1F)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459755691 1067408457 /nfs/dbraw/zinc/40/84/57/1067408457.db2.gz OXGPYOXQQKASQW-UHFFFAOYSA-N 0 0 452.050 4.776 20 0 JJADRN CN(Cc1nc(Cc2cccc(Br)c2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC001459755707 1067408527 /nfs/dbraw/zinc/40/85/27/1067408527.db2.gz LPQISLBOBMQFSX-UHFFFAOYSA-N 0 0 456.262 4.954 20 0 JJADRN O=C(CN1CC=C(c2ccc(Cl)cc2)CC1)Nc1ccccc1I ZINC001459756455 1067408816 /nfs/dbraw/zinc/40/88/16/1067408816.db2.gz WVVOKEWUOJCWOR-UHFFFAOYSA-N 0 0 452.723 4.672 20 0 JJADRN CCCc1c(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC001459756717 1067408874 /nfs/dbraw/zinc/40/88/74/1067408874.db2.gz CNYAQEASKOVTIV-UHFFFAOYSA-N 0 0 456.562 4.651 20 0 JJADRN COc1cccc([C@H](OC)C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001459756908 1067409364 /nfs/dbraw/zinc/40/93/64/1067409364.db2.gz DZGFSVHNXXTFSK-JPYJTQIMSA-N 0 0 452.576 4.921 20 0 JJADRN C[C@@H](OCCCNC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC001459757869 1067409826 /nfs/dbraw/zinc/40/98/26/1067409826.db2.gz AMOQDEWIKITVSN-YLJYHZDGSA-N 0 0 451.394 4.731 20 0 JJADRN O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001459758114 1067409898 /nfs/dbraw/zinc/40/98/98/1067409898.db2.gz NCVLQHJYXFDCLQ-UHFFFAOYSA-N 0 0 456.449 4.686 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459758320 1067409905 /nfs/dbraw/zinc/40/99/05/1067409905.db2.gz ZMWSHYFOKKUYOB-NSHDSACASA-N 0 0 456.123 4.607 20 0 JJADRN COc1cc(NC(=O)CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459759627 1067410826 /nfs/dbraw/zinc/41/08/26/1067410826.db2.gz HSYONYPJQOALPB-CYBMUJFWSA-N 0 0 459.757 4.756 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001459759405 1067410890 /nfs/dbraw/zinc/41/08/90/1067410890.db2.gz PFSAAFMDPNWLEZ-QGZVFWFLSA-N 0 0 450.564 4.590 20 0 JJADRN O=C(CCN1CCc2c(F)cc(Br)cc2C1)Nc1ccccc1Br ZINC001459761409 1067411810 /nfs/dbraw/zinc/41/18/10/1067411810.db2.gz FKBMYQUMWHCKJG-UHFFFAOYSA-N 0 0 456.153 4.738 20 0 JJADRN CC(C)c1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cnn1-c1ccccc1Cl ZINC001459760737 1067411830 /nfs/dbraw/zinc/41/18/30/1067411830.db2.gz OMJWKRSUQOSHBA-UHFFFAOYSA-N 0 0 451.889 4.586 20 0 JJADRN CC(C)c1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC001459761917 1067412513 /nfs/dbraw/zinc/41/25/13/1067412513.db2.gz VAPSKVPTHWTDGK-UHFFFAOYSA-N 0 0 452.363 4.958 20 0 JJADRN COc1ccc(-c2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)nc2)cc1Cl ZINC001459766597 1067414017 /nfs/dbraw/zinc/41/40/17/1067414017.db2.gz SWVOHWHRSOZFJF-UHFFFAOYSA-N 0 0 458.895 4.721 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001459767142 1067414387 /nfs/dbraw/zinc/41/43/87/1067414387.db2.gz BUJXFKRMOLBQLP-CXAGYDPISA-N 0 0 457.427 4.986 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)NC[C@@H]3CC[C@H](C)C3)[C@H]2c2ccccc2OC)cc1 ZINC001459767813 1067414401 /nfs/dbraw/zinc/41/44/01/1067414401.db2.gz HCYSYMVMWPRGMO-NVVNDHSNSA-N 0 0 450.579 4.741 20 0 JJADRN O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459768299 1067414990 /nfs/dbraw/zinc/41/49/90/1067414990.db2.gz GQOSDDSTXPXORX-FQEVSTJZSA-N 0 0 458.402 4.837 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)ccc1Br ZINC001459772573 1067416122 /nfs/dbraw/zinc/41/61/22/1067416122.db2.gz PJIITJPBMMPUDW-OAQYLSRUSA-N 0 0 459.409 4.993 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(OC(C)(C)C)CC2)cc1 ZINC001459776751 1067417017 /nfs/dbraw/zinc/41/70/17/1067417017.db2.gz UKZGTVSOWRDOQY-GOSISDBHSA-N 0 0 453.583 4.554 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)cc2C1=O ZINC001459780967 1067418228 /nfs/dbraw/zinc/41/82/28/1067418228.db2.gz PWHBKVSXPYPXTI-UHFFFAOYSA-N 0 0 456.367 4.955 20 0 JJADRN CC[C@@H]1C[C@@H](C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)CCO1 ZINC001459781758 1067418737 /nfs/dbraw/zinc/41/87/37/1067418737.db2.gz ACJLSPOEQRMNKB-ILZDJORESA-N 0 0 456.446 4.757 20 0 JJADRN COc1ccc(OCCCC(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1 ZINC001459781844 1067418747 /nfs/dbraw/zinc/41/87/47/1067418747.db2.gz AYYBKSSQYRGLKQ-UHFFFAOYSA-N 0 0 459.296 4.805 20 0 JJADRN CCCC[C@](C)(NC(=O)CCc1c(C)nc2ncnn2c1C)c1cccc(Br)c1 ZINC001459782074 1067419041 /nfs/dbraw/zinc/41/90/41/1067419041.db2.gz ZUWZIOIVSMMSKK-QFIPXVFZSA-N 0 0 458.404 4.658 20 0 JJADRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cccc2c1OC(F)(F)O2 ZINC001459782244 1067419049 /nfs/dbraw/zinc/41/90/49/1067419049.db2.gz CJKMKCYRCARTBH-UHFFFAOYSA-N 0 0 451.179 4.572 20 0 JJADRN CCc1c(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cnn1-c1ccccc1Cl ZINC001459782625 1067419593 /nfs/dbraw/zinc/41/95/93/1067419593.db2.gz HNILLVPURPCSKC-UHFFFAOYSA-N 0 0 452.942 4.771 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC001459783022 1067419944 /nfs/dbraw/zinc/41/99/44/1067419944.db2.gz VOVXYEHLCUTENS-BONVTDFDSA-N 0 0 457.187 4.942 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3cnn(-c4ccccc4Cl)c3CC)cc2)no1 ZINC001459784008 1067420599 /nfs/dbraw/zinc/42/05/99/1067420599.db2.gz UEWXKAKGDNYFEH-UHFFFAOYSA-N 0 0 451.914 4.865 20 0 JJADRN O=C(c1cnc(C2CC2)o1)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001459784668 1067420980 /nfs/dbraw/zinc/42/09/80/1067420980.db2.gz VOBUNAZFLKNPRR-KRWDZBQOSA-N 0 0 451.386 4.731 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC001459784641 1067421018 /nfs/dbraw/zinc/42/10/18/1067421018.db2.gz UHWYXOACXVREOM-ZDUSSCGKSA-N 0 0 456.789 4.785 20 0 JJADRN CC(C)N(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459785108 1067421552 /nfs/dbraw/zinc/42/15/52/1067421552.db2.gz JGWXTRYFUOXKGY-VWLOTQADSA-N 0 0 450.558 4.733 20 0 JJADRN CC(C)N(CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459785107 1067421572 /nfs/dbraw/zinc/42/15/72/1067421572.db2.gz JGWXTRYFUOXKGY-RUZDIDTESA-N 0 0 450.558 4.733 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001459787442 1067422065 /nfs/dbraw/zinc/42/20/65/1067422065.db2.gz LKQKPIRFZVSEFB-JOCHJYFZSA-N 0 0 456.384 4.664 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCC[C@](C)(OC)C3)c3ccccc3n2)cc(OC)c1OC ZINC001459787310 1067422144 /nfs/dbraw/zinc/42/21/44/1067422144.db2.gz ZOIMZNUFMPENDR-SANMLTNESA-N 0 0 450.535 4.569 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001459788714 1067422734 /nfs/dbraw/zinc/42/27/34/1067422734.db2.gz CSUXZVVOWFPWJC-OAQYLSRUSA-N 0 0 450.318 4.633 20 0 JJADRN CCCN1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c2cc(F)ccc21 ZINC001459789513 1067422769 /nfs/dbraw/zinc/42/27/69/1067422769.db2.gz ROHZTZOZLVMRQZ-UHFFFAOYSA-N 0 0 455.555 4.772 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1C ZINC001459790271 1067423476 /nfs/dbraw/zinc/42/34/76/1067423476.db2.gz DXHJLDZEEGHGMI-IBGZPJMESA-N 0 0 450.970 4.887 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC001459790564 1067423980 /nfs/dbraw/zinc/42/39/80/1067423980.db2.gz BVIIQNQYTZYBGL-UHFFFAOYSA-N 0 0 456.311 4.857 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC001459791295 1067424364 /nfs/dbraw/zinc/42/43/64/1067424364.db2.gz JZARUYYVMJLESI-BPQIPLTHSA-N 0 0 453.149 4.895 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3)cc2)C[C@H](C)O1 ZINC001459792104 1067424900 /nfs/dbraw/zinc/42/49/00/1067424900.db2.gz DFPGSGNFVHFKKK-IYBDPMFKSA-N 0 0 455.356 4.501 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H](OC1CCCC1)c1ccccc1 ZINC001459792697 1067425676 /nfs/dbraw/zinc/42/56/76/1067425676.db2.gz POUMKRLFTUZMMF-FQEVSTJZSA-N 0 0 456.340 4.816 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001459793568 1067426001 /nfs/dbraw/zinc/42/60/01/1067426001.db2.gz XGKOUDBBKUXBFI-ZDUSSCGKSA-N 0 0 451.748 4.745 20 0 JJADRN COC(=O)c1ccc(OC)c(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC001459793087 1067426021 /nfs/dbraw/zinc/42/60/21/1067426021.db2.gz HDUXUHLJCULROT-IBGZPJMESA-N 0 0 451.350 4.782 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc21 ZINC001459794040 1067426669 /nfs/dbraw/zinc/42/66/69/1067426669.db2.gz AWPDCMGDUYRWFT-ZWKOTPCHSA-N 0 0 450.023 4.759 20 0 JJADRN CC(=O)c1ncc(C(=O)OCc2cc(Br)c(Cl)c(Br)c2)s1 ZINC001459795043 1067427062 /nfs/dbraw/zinc/42/70/62/1067427062.db2.gz QNJBKNMGJRCKPW-UHFFFAOYSA-N 0 0 453.539 4.881 20 0 JJADRN Cc1cc(NC(=O)CN(Cc2csc(Br)c2)C2CC2)n(-c2ccc(C)cc2)n1 ZINC001459795878 1067427682 /nfs/dbraw/zinc/42/76/82/1067427682.db2.gz GMSGWCWJOBAGJX-UHFFFAOYSA-N 0 0 459.413 4.916 20 0 JJADRN CC(C)OCc1cccc(CNC(=O)CN(Cc2csc(Br)c2)C2CC2)c1 ZINC001459797356 1067428196 /nfs/dbraw/zinc/42/81/96/1067428196.db2.gz MDXPORRTJKTCJE-UHFFFAOYSA-N 0 0 451.430 4.716 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)c2cnn(C)c2n1 ZINC001459803137 1067430582 /nfs/dbraw/zinc/43/05/82/1067430582.db2.gz GJDLFNXCUWFUCG-UHFFFAOYSA-N 0 0 452.312 4.787 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(N3CCCC3)nn2)cc1Oc1ncccc1Br ZINC001459805411 1067431187 /nfs/dbraw/zinc/43/11/87/1067431187.db2.gz NYSRYWLRJMCHKD-UHFFFAOYSA-N 0 0 454.328 4.587 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)CC2=O)ccc1Br ZINC001459805438 1067431285 /nfs/dbraw/zinc/43/12/85/1067431285.db2.gz OLEZRCXCQHPWCQ-LMMKCTJWSA-N 0 0 459.359 4.702 20 0 JJADRN COc1cc2c(cc1C(=O)Nc1ccc(C)c(Oc3ncccc3Br)c1)OCO2 ZINC001459806259 1067431592 /nfs/dbraw/zinc/43/15/92/1067431592.db2.gz QNCDVVAQIFNUKI-UHFFFAOYSA-N 0 0 457.280 4.934 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807066 1067431612 /nfs/dbraw/zinc/43/16/12/1067431612.db2.gz MWJJOQHLPLUCNC-YRMAPFEESA-N 0 0 457.398 4.833 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)N(C)c3ncccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001459808968 1067432206 /nfs/dbraw/zinc/43/22/06/1067432206.db2.gz BGEGAFKONRGYRT-NOZRDPDXSA-N 0 0 459.546 4.555 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N(C)c3ncccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001459808961 1067432237 /nfs/dbraw/zinc/43/22/37/1067432237.db2.gz BGEGAFKONRGYRT-ILBGXUMGSA-N 0 0 459.546 4.555 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)c2nc3cc(Cl)ccc3s2)ccc1C ZINC001459811027 1067433254 /nfs/dbraw/zinc/43/32/54/1067433254.db2.gz UJAGJXVKXAXIGW-UHFFFAOYSA-N 0 0 452.001 4.565 20 0 JJADRN COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC001459811816 1067433998 /nfs/dbraw/zinc/43/39/98/1067433998.db2.gz NYDIKDGIKZBBBB-XZOQPEGZSA-N 0 0 479.042 4.544 20 0 JJADRN COc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc(-n2cccn2)c1 ZINC001459813655 1067435079 /nfs/dbraw/zinc/43/50/79/1067435079.db2.gz HBRHWEVUJDCJLA-UHFFFAOYSA-N 0 0 452.308 4.814 20 0 JJADRN C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC001459817496 1067436505 /nfs/dbraw/zinc/43/65/05/1067436505.db2.gz LNPSJBOQRRHLOE-HOTGVXAUSA-N 0 0 458.965 4.826 20 0 JJADRN C[C@@H](N[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001459817494 1067436507 /nfs/dbraw/zinc/43/65/07/1067436507.db2.gz LNPSJBOQRRHLOE-CVEARBPZSA-N 0 0 458.965 4.826 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC001459818241 1067437063 /nfs/dbraw/zinc/43/70/63/1067437063.db2.gz FNWJXZPZFLNTSW-VIFPVBQESA-N 0 0 453.173 4.820 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820610 1067438292 /nfs/dbraw/zinc/43/82/92/1067438292.db2.gz SVOFXPBJHVGOEW-FNZWTVRRSA-N 0 0 457.574 4.647 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1C ZINC001459820931 1067438340 /nfs/dbraw/zinc/43/83/40/1067438340.db2.gz AFYPLYNTUXVFFH-UHFFFAOYSA-N 0 0 457.534 4.924 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cc(I)cc(C)c2C)c1C ZINC001459821848 1067438752 /nfs/dbraw/zinc/43/87/52/1067438752.db2.gz KZTKIDSTVBDMJN-UHFFFAOYSA-N 0 0 451.308 4.610 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)NCc1ccnc(Oc2ccccc2F)c1 ZINC001459822529 1067439177 /nfs/dbraw/zinc/43/91/77/1067439177.db2.gz RKXDMSLFBJSYCG-UHFFFAOYSA-N 0 0 455.489 4.976 20 0 JJADRN Cc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)c(Br)n1 ZINC001459821924 1067439230 /nfs/dbraw/zinc/43/92/30/1067439230.db2.gz BZKOVQMIVAIZEL-UHFFFAOYSA-N 0 0 453.178 4.790 20 0 JJADRN O=C(/C=C/c1ccccc1OCc1ccccc1)NCCCCn1cc(Br)cn1 ZINC001459823336 1067440221 /nfs/dbraw/zinc/44/02/21/1067440221.db2.gz CGTLPHVXLFUZAW-OUKQBFOZSA-N 0 0 454.368 4.834 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCCCn1cc(Br)cn1 ZINC001459823311 1067440256 /nfs/dbraw/zinc/44/02/56/1067440256.db2.gz CEKBCFNEEUCECR-UHFFFAOYSA-N 0 0 453.793 4.941 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 ZINC001459824904 1067440882 /nfs/dbraw/zinc/44/08/82/1067440882.db2.gz HPOUGIPUKOEBQS-QHCPKHFHSA-N 0 0 451.592 4.663 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC001459826531 1067441348 /nfs/dbraw/zinc/44/13/48/1067441348.db2.gz OQOLGMAEXWFCEX-FGZHOGPDSA-N 0 0 455.601 4.541 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC001459827837 1067441741 /nfs/dbraw/zinc/44/17/41/1067441741.db2.gz JXJDRADMZQZKLB-KRWDZBQOSA-N 0 0 459.377 4.895 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459828135 1067442241 /nfs/dbraw/zinc/44/22/41/1067442241.db2.gz LKISMJZEIATHHK-HNNXBMFYSA-N 0 0 451.379 4.823 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccn(Cc2ccccc2)c1=O ZINC001459829044 1067442594 /nfs/dbraw/zinc/44/25/94/1067442594.db2.gz SHYTVXDXBONSBN-LJQANCHMSA-N 0 0 456.373 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459830468 1067443597 /nfs/dbraw/zinc/44/35/97/1067443597.db2.gz ANAIYDWGCXABKO-YAEBDLLGSA-N 0 0 468.425 4.868 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)cc2n1 ZINC001459831221 1067444313 /nfs/dbraw/zinc/44/43/13/1067444313.db2.gz DIXOLROFVCAFCE-UHFFFAOYSA-N 0 0 456.812 4.620 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)s1 ZINC001459834418 1067445389 /nfs/dbraw/zinc/44/53/89/1067445389.db2.gz UERALYUDRVDXKY-SWLSCSKDSA-N 0 0 450.333 4.911 20 0 JJADRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(Br)cn2ccnc12 ZINC001459833807 1067445402 /nfs/dbraw/zinc/44/54/02/1067445402.db2.gz PTTFTNZMTKRHRQ-UHFFFAOYSA-N 0 0 457.553 4.785 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN[C@@H](c3ccc(F)cc3F)C3CC3)n2)c(OC)c1 ZINC001459837260 1067446437 /nfs/dbraw/zinc/44/64/37/1067446437.db2.gz OHAOBXPCRPNXCN-JOCHJYFZSA-N 0 0 459.518 4.785 20 0 JJADRN CCn1c(CNC(=O)c2ccc(OC(F)(F)F)c(C)c2)nc2cc(Br)ccc21 ZINC001459838516 1067447584 /nfs/dbraw/zinc/44/75/84/1067447584.db2.gz CYTVBEBYVZKABH-UHFFFAOYSA-N 0 0 456.262 4.956 20 0 JJADRN CCCCOc1ccc([C@H](C)N[C@H](C(N)=O)c2ccc(Br)cc2F)cc1OC ZINC001459844347 1067450553 /nfs/dbraw/zinc/45/05/53/1067450553.db2.gz PGNIUWFPIDGPRF-RBZFPXEDSA-N 0 0 453.352 4.653 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1C ZINC001459844671 1067451089 /nfs/dbraw/zinc/45/10/89/1067451089.db2.gz KVDNUQJSRUOKSB-UHFFFAOYSA-N 0 0 457.280 4.642 20 0 JJADRN CCN(CC(N)=O)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1c(F)cccc1Cl ZINC001459844943 1067451152 /nfs/dbraw/zinc/45/11/52/1067451152.db2.gz VYTUDRPNBJJABR-SQFISAMPSA-N 0 0 451.929 4.852 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)C1 ZINC001546112252 1067452550 /nfs/dbraw/zinc/45/25/50/1067452550.db2.gz JYODQCISDWVBSO-UHFFFAOYSA-N 0 0 455.647 4.795 20 0 JJADRN O=C(CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC001459848434 1067453582 /nfs/dbraw/zinc/45/35/82/1067453582.db2.gz RNOPNXHEMDZNDR-JOCHJYFZSA-N 0 0 455.480 4.750 20 0 JJADRN CC(C)S(=O)(=O)c1ccccc1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC001459849494 1067454530 /nfs/dbraw/zinc/45/45/30/1067454530.db2.gz JIPNKAYGPQKSHV-UHFFFAOYSA-N 0 0 450.398 4.684 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCCc2ccc(F)cc21 ZINC001459850191 1067455657 /nfs/dbraw/zinc/45/56/57/1067455657.db2.gz WBSMTBDKYTXUBE-LJQANCHMSA-N 0 0 453.295 4.783 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC001459851072 1067456221 /nfs/dbraw/zinc/45/62/21/1067456221.db2.gz SRXSEUUTUFJRBD-LAUBAEHRSA-N 0 0 454.567 4.837 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cccc(C)n2)C1 ZINC001546112308 1067459900 /nfs/dbraw/zinc/45/99/00/1067459900.db2.gz MEXISJWFRALTTN-UHFFFAOYSA-N 0 0 466.655 4.622 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC001459856374 1067459977 /nfs/dbraw/zinc/45/99/77/1067459977.db2.gz PCBUQUXTJCSPNK-MRXNPFEDSA-N 0 0 451.361 4.977 20 0 JJADRN C[C@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)c1ccc(Oc2cccnc2)cc1 ZINC001459856383 1067459981 /nfs/dbraw/zinc/45/99/81/1067459981.db2.gz IKBODQJEBYMENJ-HNNXBMFYSA-N 0 0 454.552 4.846 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001459860627 1067460849 /nfs/dbraw/zinc/46/08/49/1067460849.db2.gz WZBRWDHYNWRHNI-ZWKOTPCHSA-N 0 0 455.407 4.789 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001459860880 1067461448 /nfs/dbraw/zinc/46/14/48/1067461448.db2.gz YEKAMJZGFXCROH-MRXNPFEDSA-N 0 0 456.530 4.576 20 0 JJADRN COc1ccc([C@H](C)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(Br)c1 ZINC001459862904 1067462575 /nfs/dbraw/zinc/46/25/75/1067462575.db2.gz NRLVLNZEHWRZCW-SGTLLEGYSA-N 0 0 457.290 4.933 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3Cl)CC2)cc1 ZINC001459864257 1067463005 /nfs/dbraw/zinc/46/30/05/1067463005.db2.gz RDIAVQHWPHGKKD-UHFFFAOYSA-N 0 0 452.979 4.816 20 0 JJADRN O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cccnc1-n1cc(Br)cn1 ZINC001459864535 1067463158 /nfs/dbraw/zinc/46/31/58/1067463158.db2.gz KEBNQOBDYSOCGT-UHFFFAOYSA-N 0 0 450.268 4.829 20 0 JJADRN Brc1ccc(-c2nc(CN[C@@H](CN3CCOCC3)c3ccccc3)cs2)cc1 ZINC001459865505 1067463647 /nfs/dbraw/zinc/46/36/47/1067463647.db2.gz XARSBBLFKXRMQS-NRFANRHFSA-N 0 0 458.425 4.736 20 0 JJADRN CCOc1cc(Br)c(CC(=O)OCc2c(C)cc(C)nc2OC)cc1OCC ZINC001459868039 1067465288 /nfs/dbraw/zinc/46/52/88/1067465288.db2.gz LBSYNJJPOIOGMS-UHFFFAOYSA-N 0 0 452.345 4.553 20 0 JJADRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001459868664 1067465879 /nfs/dbraw/zinc/46/58/79/1067465879.db2.gz YZURCBPBYWFIQV-MRXNPFEDSA-N 0 0 455.502 4.960 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)c3ccccc3n2)c(C)c1 ZINC001459869198 1067466276 /nfs/dbraw/zinc/46/62/76/1067466276.db2.gz LNCVHRHJOUBULQ-HSZRJFAPSA-N 0 0 457.496 4.512 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001546112383 1067466796 /nfs/dbraw/zinc/46/67/96/1067466796.db2.gz PIHDODZDXPWHPZ-UHFFFAOYSA-N 0 0 467.658 4.973 20 0 JJADRN CC(C)n1ncc(C(=O)OCc2c(Cl)ccc(F)c2Cl)c1I ZINC001459870121 1067466882 /nfs/dbraw/zinc/46/68/82/1067466882.db2.gz XIZQXNCQHCKATK-UHFFFAOYSA-N 0 0 457.070 4.872 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001459870533 1067467351 /nfs/dbraw/zinc/46/73/51/1067467351.db2.gz NZAIKIJQKKXWJD-CQSZACIVSA-N 0 0 455.407 4.875 20 0 JJADRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC001459872015 1067467839 /nfs/dbraw/zinc/46/78/39/1067467839.db2.gz PTLQMLMKAAFVLF-SFHVURJKSA-N 0 0 455.393 4.514 20 0 JJADRN COc1ccc(NC(=O)c2ccc(OC(F)(F)F)c(C)c2)c(I)c1 ZINC001459873978 1067468873 /nfs/dbraw/zinc/46/88/73/1067468873.db2.gz NZHSBBQEUUAQNM-UHFFFAOYSA-N 0 0 451.182 4.759 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2snnc2C)C1 ZINC001546112415 1067468899 /nfs/dbraw/zinc/46/88/99/1067468899.db2.gz QNPKNOOLNCWTIA-KRWDZBQOSA-N 0 0 475.663 4.575 20 0 JJADRN COc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)n2)cc1 ZINC001459875596 1067469449 /nfs/dbraw/zinc/46/94/49/1067469449.db2.gz MDAWXRMLLVXUID-MRXNPFEDSA-N 0 0 455.946 4.618 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC2)C1 ZINC001546112431 1067470315 /nfs/dbraw/zinc/47/03/15/1067470315.db2.gz QWHDTEUGHSRWKR-QGZVFWFLSA-N 0 0 463.420 4.673 20 0 JJADRN O=C1[C@H](N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC001459878201 1067470346 /nfs/dbraw/zinc/47/03/46/1067470346.db2.gz XZAWZTXHLSDFCA-RTBURBONSA-N 0 0 457.304 4.774 20 0 JJADRN Cc1nc(N2CCN(CC(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)CC2)sc1C ZINC001459877834 1067470366 /nfs/dbraw/zinc/47/03/66/1067470366.db2.gz WXYCYBLHRPEDBI-UHFFFAOYSA-N 0 0 455.653 4.569 20 0 JJADRN O=C1[C@@H](N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC001459878187 1067470383 /nfs/dbraw/zinc/47/03/83/1067470383.db2.gz XZAWZTXHLSDFCA-OALUTQOASA-N 0 0 457.304 4.774 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001459878301 1067470384 /nfs/dbraw/zinc/47/03/84/1067470384.db2.gz DIMZADHEPZRRGO-VQTJNVASSA-N 0 0 469.434 4.670 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)c1cnn2cccc(Br)c12 ZINC001459880010 1067470781 /nfs/dbraw/zinc/47/07/81/1067470781.db2.gz HBNOOFUPZPQMCU-UHFFFAOYSA-N 0 0 452.131 4.721 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)Cc1ccc(Cl)cc1Br ZINC001459880579 1067471225 /nfs/dbraw/zinc/47/12/25/1067471225.db2.gz UZUJAFRJNWHCHO-VBHSOAQHSA-N 0 0 459.812 4.795 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)Cc1ccc(Cl)cc1Br ZINC001459880571 1067471348 /nfs/dbraw/zinc/47/13/48/1067471348.db2.gz UZUJAFRJNWHCHO-FHSNZYRGSA-N 0 0 459.812 4.795 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCC1(C(F)(F)F)CC1 ZINC001459882518 1067471753 /nfs/dbraw/zinc/47/17/53/1067471753.db2.gz HONWBDMDSMCGJO-UHFFFAOYSA-N 0 0 450.461 4.624 20 0 JJADRN Cc1ccc(CC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1Br ZINC001459882310 1067471761 /nfs/dbraw/zinc/47/17/61/1067471761.db2.gz SBKAKGMKUMDJCJ-HXUWFJFHSA-N 0 0 456.302 4.837 20 0 JJADRN O=C(Nc1cc(C(F)F)ccc1Cl)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001459883715 1067472215 /nfs/dbraw/zinc/47/22/15/1067472215.db2.gz NBYBWPGURLTIFO-RAXLEYEMSA-N 0 0 454.926 4.929 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1=O ZINC001459887887 1067473557 /nfs/dbraw/zinc/47/35/57/1067473557.db2.gz NFAPZFUNEIKRTR-INIZCTEOSA-N 0 0 457.359 4.893 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001459888951 1067474206 /nfs/dbraw/zinc/47/42/06/1067474206.db2.gz SGWCOKYZWZMCPU-UHFFFAOYSA-N 0 0 459.917 4.864 20 0 JJADRN CC[C@@H](c1ccncc1)N(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891227 1067475143 /nfs/dbraw/zinc/47/51/43/1067475143.db2.gz MOMRCJCLGFGAMX-IGKIAQTJSA-N 0 0 456.590 4.903 20 0 JJADRN Cc1sc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890872 1067475222 /nfs/dbraw/zinc/47/52/22/1067475222.db2.gz MIGCVQMMVDDRND-OAQYLSRUSA-N 0 0 456.011 4.984 20 0 JJADRN COc1ccc(C(=O)Nc2ncc(-c3cccc(C)c3)s2)cc1I ZINC001459891606 1067475725 /nfs/dbraw/zinc/47/57/25/1067475725.db2.gz WYCARALEZREHRV-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001459896420 1067478164 /nfs/dbraw/zinc/47/81/64/1067478164.db2.gz WEVCNECKMAINDI-UHFFFAOYSA-N 0 0 457.340 4.685 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)s1 ZINC001459896679 1067478275 /nfs/dbraw/zinc/47/82/75/1067478275.db2.gz NTPFUZPCFQXHBX-NEPJUHHUSA-N 0 0 455.411 4.609 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001459899083 1067479352 /nfs/dbraw/zinc/47/93/52/1067479352.db2.gz BAOHBXZKPGOQEL-LBPRGKRZSA-N 0 0 457.381 4.643 20 0 JJADRN C[C@H](OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccc(C(F)(F)F)nc1 ZINC001459900255 1067479767 /nfs/dbraw/zinc/47/97/67/1067479767.db2.gz RXOGBRXPMHXQMN-NSHDSACASA-N 0 0 455.483 4.647 20 0 JJADRN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC001459901070 1067480418 /nfs/dbraw/zinc/48/04/18/1067480418.db2.gz FMWZLHCVZIPBNA-QGZVFWFLSA-N 0 0 450.608 4.660 20 0 JJADRN Cc1cc(I)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c1 ZINC001459902386 1067480892 /nfs/dbraw/zinc/48/08/92/1067480892.db2.gz PUEOFBJWQCSENC-UHFFFAOYSA-N 0 0 455.723 4.940 20 0 JJADRN C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001459903150 1067481460 /nfs/dbraw/zinc/48/14/60/1067481460.db2.gz LNTBBDMXZHVUNA-CYBMUJFWSA-N 0 0 459.775 4.878 20 0 JJADRN C[C@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC001459907846 1067484045 /nfs/dbraw/zinc/48/40/45/1067484045.db2.gz CRIIWJWPLIUIFR-JTQLQIEISA-N 0 0 453.699 4.581 20 0 JJADRN C[C@H](NCc1c(Br)cnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459908622 1067484652 /nfs/dbraw/zinc/48/46/52/1067484652.db2.gz IICVTXIOFQVCBJ-JTQLQIEISA-N 0 0 456.207 4.919 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1 ZINC001459909608 1067485061 /nfs/dbraw/zinc/48/50/61/1067485061.db2.gz LRCJNCRAZNKKNY-CABCVRRESA-N 0 0 451.527 4.985 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1 ZINC001459909617 1067485118 /nfs/dbraw/zinc/48/51/18/1067485118.db2.gz LRCJNCRAZNKKNY-HUUCEWRRSA-N 0 0 451.527 4.985 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br ZINC001459911216 1067486361 /nfs/dbraw/zinc/48/63/61/1067486361.db2.gz FUAAOMVYGYXUJJ-CQSZACIVSA-N 0 0 459.812 4.941 20 0 JJADRN C[C@H](NCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1nc(C(C)(C)C)no1 ZINC001459911931 1067486796 /nfs/dbraw/zinc/48/67/96/1067486796.db2.gz QQUBSJYKKFPVTR-INIZCTEOSA-N 0 0 453.612 4.586 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)CSCc2ccc(Br)cc2)C1 ZINC001459914131 1067487870 /nfs/dbraw/zinc/48/78/70/1067487870.db2.gz ZTOARAXRINPTHU-SFHVURJKSA-N 0 0 450.398 4.761 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001459913173 1067487902 /nfs/dbraw/zinc/48/79/02/1067487902.db2.gz LYTFBQHOZGXGCK-RTBURBONSA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](O)CNC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001459915382 1067488260 /nfs/dbraw/zinc/48/82/60/1067488260.db2.gz SLPMWCGKGPGPNP-LJQANCHMSA-N 0 0 450.624 4.532 20 0 JJADRN CCCN(CC(=O)OC(C)(C)C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001459915420 1067488291 /nfs/dbraw/zinc/48/82/91/1067488291.db2.gz FGOZUFXAJVHYOH-HXUWFJFHSA-N 0 0 459.974 4.664 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001459915896 1067488865 /nfs/dbraw/zinc/48/88/65/1067488865.db2.gz SUQQLKHZSOSYJY-UHFFFAOYSA-N 0 0 451.611 4.840 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001459916757 1067489487 /nfs/dbraw/zinc/48/94/87/1067489487.db2.gz DPPRAJMQJYGTFB-MBPVOVBZSA-N 0 0 463.416 4.802 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001459916625 1067489503 /nfs/dbraw/zinc/48/95/03/1067489503.db2.gz CDJREGLYWZXPEH-NVXWUHKLSA-N 0 0 455.418 4.543 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCCc2cccc(C)n2)cc1OC ZINC001459917788 1067489967 /nfs/dbraw/zinc/48/99/67/1067489967.db2.gz HFEIITFSQILBJH-UHFFFAOYSA-N 0 0 456.546 4.623 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001459917718 1067490013 /nfs/dbraw/zinc/49/00/13/1067490013.db2.gz FXZXNRHOUJYQTP-DYESRHJHSA-N 0 0 459.587 4.741 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC001459919495 1067490760 /nfs/dbraw/zinc/49/07/60/1067490760.db2.gz KUDXOENUEMDBDJ-HKUYNNGSSA-N 0 0 459.587 4.736 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC001459920523 1067491287 /nfs/dbraw/zinc/49/12/87/1067491287.db2.gz FHCFWZKIRIGKIE-STQMWFEESA-N 0 0 451.350 4.735 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1nc2c(s1)c(Cl)ccc2C)c1cccc(Br)c1 ZINC001459920612 1067491750 /nfs/dbraw/zinc/49/17/50/1067491750.db2.gz PPVARSOZUHAQHY-HNNXBMFYSA-N 0 0 452.761 4.837 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1OCC ZINC001459921147 1067491794 /nfs/dbraw/zinc/49/17/94/1067491794.db2.gz PCPMXOOMPNJNMP-SFHVURJKSA-N 0 0 452.979 4.755 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)/C=C\c2ccccc2OC(F)(F)F)C1 ZINC001459921588 1067492288 /nfs/dbraw/zinc/49/22/88/1067492288.db2.gz QIAOWKDQVDSCDM-XBAQYMQTSA-N 0 0 454.489 4.848 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1C ZINC001459921263 1067492298 /nfs/dbraw/zinc/49/22/98/1067492298.db2.gz NQHGUSISIORQLU-LJQANCHMSA-N 0 0 451.405 4.929 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN(C)Cc3nc4ccsc4c(=O)[nH]3)n2)cc1C ZINC001459922830 1067492688 /nfs/dbraw/zinc/49/26/88/1067492688.db2.gz QDXVZXQMNYYVEU-UHFFFAOYSA-N 0 0 453.593 4.516 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459923874 1067493393 /nfs/dbraw/zinc/49/33/93/1067493393.db2.gz KTJUQHFZOOQHBE-DZGCQCFKSA-N 0 0 456.867 4.940 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928225 1067495335 /nfs/dbraw/zinc/49/53/35/1067495335.db2.gz BLKDWLFCSRHSOI-ACJLOTCBSA-N 0 0 457.290 4.868 20 0 JJADRN O=C(CN[C@H](CO)c1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001459930443 1067496059 /nfs/dbraw/zinc/49/60/59/1067496059.db2.gz IUKNKTMXRNCILU-LJQANCHMSA-N 0 0 452.860 4.558 20 0 JJADRN Cc1ccc(C2=NO[C@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4Cl)CC3)C2)cc1 ZINC001459930653 1067496072 /nfs/dbraw/zinc/49/60/72/1067496072.db2.gz GNZPFNIZWNXYQS-FQEVSTJZSA-N 0 0 451.876 4.509 20 0 JJADRN CCc1cc2oc(=O)cc(CN(CCO)Cc3cc(Br)cs3)c2cc1Cl ZINC001459934042 1067498047 /nfs/dbraw/zinc/49/80/47/1067498047.db2.gz YDDSNYPUHVTGTB-UHFFFAOYSA-N 0 0 456.789 4.827 20 0 JJADRN COc1ccccc1Nc1nc2sc(C(=O)N[C@H](CO)c3ccccc3OC)cc2s1 ZINC001546112772 1067498061 /nfs/dbraw/zinc/49/80/61/1067498061.db2.gz DPVGPQQRXKXYHT-OAHLLOKOSA-N 0 0 455.561 4.582 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CCCC1 ZINC001459937420 1067499103 /nfs/dbraw/zinc/49/91/03/1067499103.db2.gz WHAQBHSOJCJOLI-OAHLLOKOSA-N 0 0 450.398 4.999 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)NCc3cccc(OCc4ccccc4)c3)no2)c1 ZINC001459940559 1067500145 /nfs/dbraw/zinc/50/01/45/1067500145.db2.gz IQNNYRZZCDJCGX-UHFFFAOYSA-N 0 0 456.498 4.965 20 0 JJADRN O=C1NCCN(Cc2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001459942106 1067500560 /nfs/dbraw/zinc/50/05/60/1067500560.db2.gz WUMGPKUJIWIPHU-HSZRJFAPSA-N 0 0 456.464 4.837 20 0 JJADRN Cc1ccc(C(=O)NCc2cnn3ccccc23)cc1OCc1csc(Br)c1 ZINC001459941062 1067500718 /nfs/dbraw/zinc/50/07/18/1067500718.db2.gz BAQAAZQSVUTDTM-UHFFFAOYSA-N 0 0 456.365 4.976 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)C1 ZINC001459944365 1067501459 /nfs/dbraw/zinc/50/14/59/1067501459.db2.gz IPIMJKFJCGFIII-DZGCQCFKSA-N 0 0 450.601 4.776 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)cc2)n1 ZINC001459944760 1067501779 /nfs/dbraw/zinc/50/17/79/1067501779.db2.gz LIGWGEIRNDUXSW-UHFFFAOYSA-N 0 0 451.523 4.757 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)C(=O)c3ccc(OC)c(Cl)c3)c2)c1 ZINC001459945119 1067501974 /nfs/dbraw/zinc/50/19/74/1067501974.db2.gz FVSJCHZGVHKHTN-UHFFFAOYSA-N 0 0 455.894 4.657 20 0 JJADRN COCCC[C@@H](CNC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001459947730 1067502518 /nfs/dbraw/zinc/50/25/18/1067502518.db2.gz XQUCMWFYEYDBHR-ZGIGLSJSSA-N 0 0 451.007 4.899 20 0 JJADRN COCCC[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)c1ccc(Cl)cc1 ZINC001459947906 1067502998 /nfs/dbraw/zinc/50/29/98/1067502998.db2.gz ZDBDLFCFSHTERJ-HNNXBMFYSA-N 0 0 450.764 4.690 20 0 JJADRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001459948432 1067503048 /nfs/dbraw/zinc/50/30/48/1067503048.db2.gz XWJYYFMCFKOLDZ-UGSOOPFHSA-N 0 0 458.274 4.820 20 0 JJADRN O=C(c1cn2ccc(Br)cc2n1)N1CCc2cc(Cl)cc(Br)c21 ZINC001459949539 1067503980 /nfs/dbraw/zinc/50/39/80/1067503980.db2.gz HHMIJZNNMMJEKA-UHFFFAOYSA-N 0 0 455.537 4.716 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCC2(c3ccc(Br)s3)CCC2)c1 ZINC001459950154 1067504031 /nfs/dbraw/zinc/50/40/31/1067504031.db2.gz HFUFUXFISDEKBN-GDBMZVCRSA-N 0 0 450.398 4.869 20 0 JJADRN O=C(CCc1nc(-c2ccsc2)no1)NCC1(c2ccc(Br)s2)CCC1 ZINC001459950019 1067504045 /nfs/dbraw/zinc/50/40/45/1067504045.db2.gz DMUMDLONGNNPLG-UHFFFAOYSA-N 0 0 452.399 4.793 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459952909 1067505187 /nfs/dbraw/zinc/50/51/87/1067505187.db2.gz UWSUUTJICWHYKK-WIYYLYMNSA-N 0 0 456.320 4.550 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001459954147 1067505294 /nfs/dbraw/zinc/50/52/94/1067505294.db2.gz WHRZGZLEXGLECV-UHFFFAOYSA-N 0 0 452.492 4.783 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 ZINC001459953498 1067505472 /nfs/dbraw/zinc/50/54/72/1067505472.db2.gz QVELKUYDJPEZJY-NHYWBVRUSA-N 0 0 457.353 4.814 20 0 JJADRN Cc1sc(NC(=O)CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954322 1067505662 /nfs/dbraw/zinc/50/56/62/1067505662.db2.gz YYQYQCKZECIONL-RXVVDRJESA-N 0 0 451.995 4.745 20 0 JJADRN Cc1sc(NC(=O)CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C ZINC001459954320 1067505845 /nfs/dbraw/zinc/50/58/45/1067505845.db2.gz YYQYQCKZECIONL-GHTZIAJQSA-N 0 0 451.995 4.745 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)cc1 ZINC001459957260 1067506707 /nfs/dbraw/zinc/50/67/07/1067506707.db2.gz HYWIAZWULRJFSS-GOSISDBHSA-N 0 0 453.608 4.763 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)[C@H]1c1cccnc1 ZINC001459956559 1067506804 /nfs/dbraw/zinc/50/68/04/1067506804.db2.gz BKYPBCHBLPWZQI-RBBKRZOGSA-N 0 0 450.336 4.669 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001459959935 1067508140 /nfs/dbraw/zinc/50/81/40/1067508140.db2.gz OBTCRNPREITMPY-XMMPIXPASA-N 0 0 453.537 4.527 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1 ZINC001459959640 1067508149 /nfs/dbraw/zinc/50/81/49/1067508149.db2.gz NALNKWUTEHBSLZ-UONOGXRCSA-N 0 0 456.427 4.601 20 0 JJADRN Cc1cc2c(cc1C)N(C(=O)[C@@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)CC2 ZINC001459960813 1067508422 /nfs/dbraw/zinc/50/84/22/1067508422.db2.gz OWUHLCSEMNJNMH-LJQANCHMSA-N 0 0 455.396 4.816 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001459965737 1067510079 /nfs/dbraw/zinc/51/00/79/1067510079.db2.gz XGAFYKLFUPVHBA-MOPGFXCFSA-N 0 0 453.739 4.568 20 0 JJADRN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc2sccc2c1 ZINC001459967607 1067510397 /nfs/dbraw/zinc/51/03/97/1067510397.db2.gz XOWWAXXEJXWQLD-GOSISDBHSA-N 0 0 457.349 4.659 20 0 JJADRN CCOC(=O)[C@H](NCc1c(C)cc(C)nc1OCc1ccccc1)c1ccc(OC)c(F)c1 ZINC001459967580 1067510415 /nfs/dbraw/zinc/51/04/15/1067510415.db2.gz DKDQHTQFDJXJAW-XMMPIXPASA-N 0 0 452.526 4.819 20 0 JJADRN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)ccc21 ZINC001459971072 1067510692 /nfs/dbraw/zinc/51/06/92/1067510692.db2.gz GRZLUAOOVBIQPE-SFHVURJKSA-N 0 0 450.583 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC(F)F)cc1F ZINC001459972591 1067511095 /nfs/dbraw/zinc/51/10/95/1067511095.db2.gz AHVYVELIACFTGU-IBGZPJMESA-N 0 0 450.457 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972496 1067511115 /nfs/dbraw/zinc/51/11/15/1067511115.db2.gz WJWSIPBAQGNKNZ-VQIMIIECSA-N 0 0 456.414 4.646 20 0 JJADRN Cn1nc(Br)cc1C(=O)N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001459974473 1067511879 /nfs/dbraw/zinc/51/18/79/1067511879.db2.gz JCVYAZONGXUIJA-ZDUSSCGKSA-N 0 0 450.551 4.505 20 0 JJADRN CC(C)(CNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)Oc1cc(F)cc(F)c1 ZINC001459974812 1067512130 /nfs/dbraw/zinc/51/21/30/1067512130.db2.gz XTBCAKGKLTYBEV-UHFFFAOYSA-N 0 0 453.411 4.816 20 0 JJADRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)c1 ZINC001459977293 1067512969 /nfs/dbraw/zinc/51/29/69/1067512969.db2.gz WXTKAOWXYJVCOE-UHFFFAOYSA-N 0 0 455.946 4.889 20 0 JJADRN Cc1nc(CCC(=O)N2CCN(c3cccc(Br)c3)CC2)oc1-c1ccccc1 ZINC001459976844 1067512986 /nfs/dbraw/zinc/51/29/86/1067512986.db2.gz PFLSGYZZRGMYKR-UHFFFAOYSA-N 0 0 454.368 4.694 20 0 JJADRN CC(C)Cn1nc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c2ccccc2c1=O ZINC001459977545 1067513143 /nfs/dbraw/zinc/51/31/43/1067513143.db2.gz IATHLWGHMSQOJZ-JOCHJYFZSA-N 0 0 453.970 4.604 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1cccc2cc(Br)cnc21 ZINC001459978512 1067513930 /nfs/dbraw/zinc/51/39/30/1067513930.db2.gz XAJOBPNCCVONKG-UHFFFAOYSA-N 0 0 451.118 4.724 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979538 1067514307 /nfs/dbraw/zinc/51/43/07/1067514307.db2.gz JERDFOXWOGNHRC-KRWDZBQOSA-N 0 0 455.404 4.721 20 0 JJADRN CC[C@](NC(=O)[C@@H]1CCc2cc(Br)ccc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981494 1067514634 /nfs/dbraw/zinc/51/46/34/1067514634.db2.gz WZHRURTXUPJERO-WIYYLYMNSA-N 0 0 450.760 4.727 20 0 JJADRN COc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc(Cl)cc1C(=O)N(C)C ZINC001459985193 1067515639 /nfs/dbraw/zinc/51/56/39/1067515639.db2.gz JIAMQNQURZCQDZ-UHFFFAOYSA-N 0 0 451.910 4.555 20 0 JJADRN COCCNC(=O)c1cccc(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)c1 ZINC001459986889 1067516448 /nfs/dbraw/zinc/51/64/48/1067516448.db2.gz ORCPUHNRUGKVFF-UHFFFAOYSA-N 0 0 455.555 4.550 20 0 JJADRN Cc1cc(C)c(CC(=O)N(CCn2ccnc2)C2CCSCC2)c(C)c1Br ZINC001459990108 1067517043 /nfs/dbraw/zinc/51/70/43/1067517043.db2.gz JCMPCACMUMLDGD-UHFFFAOYSA-N 0 0 450.446 4.538 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3ccc(O[C@H](C)C(F)(F)F)nc3C)CC2)cc1Cl ZINC001459990998 1067517675 /nfs/dbraw/zinc/51/76/75/1067517675.db2.gz ZWNLQCJYIBTOEE-OAHLLOKOSA-N 0 0 455.908 4.898 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC001459991225 1067518012 /nfs/dbraw/zinc/51/80/12/1067518012.db2.gz IERXDPXSKKZYMQ-UHFFFAOYSA-N 0 0 455.433 4.568 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1c(F)cccc1F ZINC001459995214 1067518863 /nfs/dbraw/zinc/51/88/63/1067518863.db2.gz OBBJBPBGDLWDEF-JXFKEZNVSA-N 0 0 454.439 4.957 20 0 JJADRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001459995761 1067519527 /nfs/dbraw/zinc/51/95/27/1067519527.db2.gz LWLBBMUAWWIRRW-INIZCTEOSA-N 0 0 455.502 4.878 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999456 1067521031 /nfs/dbraw/zinc/52/10/31/1067521031.db2.gz ZEMISGQYIYAGCT-UQBPGWFLSA-N 0 0 458.562 4.754 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@H](C)C[C@@H]3c3cccnc3)cc2)cc1 ZINC001459999447 1067521139 /nfs/dbraw/zinc/52/11/39/1067521139.db2.gz ZEMISGQYIYAGCT-KBMIEXCESA-N 0 0 458.562 4.754 20 0 JJADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CCCNC(=O)c1ccsc1 ZINC001459999950 1067521443 /nfs/dbraw/zinc/52/14/43/1067521443.db2.gz WDABTAPYXLKJPB-UHFFFAOYSA-N 0 0 452.420 4.954 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(CN1CCC(C)(C)c3ccc(Br)cc31)[nH]c2=O ZINC001460001799 1067522019 /nfs/dbraw/zinc/52/20/19/1067522019.db2.gz IXLNGTWPINWLOF-UHFFFAOYSA-N 0 0 456.340 4.572 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2)cc1C ZINC001460004760 1067522703 /nfs/dbraw/zinc/52/27/03/1067522703.db2.gz HQZLFMUFPFVTOW-IBGZPJMESA-N 0 0 450.608 4.517 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460005096 1067523520 /nfs/dbraw/zinc/52/35/20/1067523520.db2.gz JCVPZNYRLAZUEC-CQSZACIVSA-N 0 0 458.498 4.917 20 0 JJADRN Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)nnn1CCOc1ccc(F)cc1 ZINC001460005513 1067523616 /nfs/dbraw/zinc/52/36/16/1067523616.db2.gz AAZMQHMIWUORIH-AWEZNQCLSA-N 0 0 457.556 4.534 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccn3)C2)c2ccccc12 ZINC001460005954 1067523942 /nfs/dbraw/zinc/52/39/42/1067523942.db2.gz NSLPKCCDNRYFFV-HNNXBMFYSA-N 0 0 457.452 4.753 20 0 JJADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460006834 1067524261 /nfs/dbraw/zinc/52/42/61/1067524261.db2.gz MVHWPWHZLQLLEN-GFCCVEGCSA-N 0 0 452.761 4.907 20 0 JJADRN CS(=O)(=O)c1cc(COC(=O)c2cnc(Cc3ccccc3)s2)cc(C(F)(F)F)c1 ZINC001460007746 1067524782 /nfs/dbraw/zinc/52/47/82/1067524782.db2.gz SPPDXJKGHATZLC-UHFFFAOYSA-N 0 0 455.479 4.513 20 0 JJADRN C[C@]1(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)CCCN(C(=O)c2ccccc2)C1 ZINC001460007456 1067524855 /nfs/dbraw/zinc/52/48/55/1067524855.db2.gz UROZXSAPXSXRJG-DEOSSOPVSA-N 0 0 459.562 4.745 20 0 JJADRN Cc1c(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)nnn1CCOc1ccc(F)cc1 ZINC001460007851 1067524896 /nfs/dbraw/zinc/52/48/96/1067524896.db2.gz JDPHZBNPLHGCKK-UHFFFAOYSA-N 0 0 457.918 4.834 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)nnn1CCOc1ccc(F)cc1 ZINC001460007751 1067524904 /nfs/dbraw/zinc/52/49/04/1067524904.db2.gz IKPOXMRSJSIQDL-AWEZNQCLSA-N 0 0 450.436 4.641 20 0 JJADRN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC001460008779 1067525299 /nfs/dbraw/zinc/52/52/99/1067525299.db2.gz VYUXTHRBFZTFKJ-UHFFFAOYSA-N 0 0 450.347 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccccc3F)no2)[C@@H](c2cccc(F)c2)C1 ZINC001460010748 1067526032 /nfs/dbraw/zinc/52/60/32/1067526032.db2.gz JVFFDWIPYSCNJJ-HXUWFJFHSA-N 0 0 456.493 4.809 20 0 JJADRN COc1ccc(CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1OC ZINC001460014519 1067527822 /nfs/dbraw/zinc/52/78/22/1067527822.db2.gz LTMVHHXPGSADGW-GOSISDBHSA-N 0 0 458.908 4.641 20 0 JJADRN CC(C)(C)c1ccc(CCNC(=O)CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC001460015440 1067528231 /nfs/dbraw/zinc/52/82/31/1067528231.db2.gz HVIXJBSQNWDBPB-FQEVSTJZSA-N 0 0 456.936 4.638 20 0 JJADRN COc1c(F)ccc(F)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001460015250 1067528322 /nfs/dbraw/zinc/52/83/22/1067528322.db2.gz PRVGHFZTUGXQHU-INIZCTEOSA-N 0 0 450.835 4.982 20 0 JJADRN COc1cc(OC)c(NC(=O)CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Cl ZINC001460016007 1067528896 /nfs/dbraw/zinc/52/88/96/1067528896.db2.gz JFFYKNCIANMDEX-KRWDZBQOSA-N 0 0 455.235 4.981 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3cnc4ccc(Cl)cc4c3)cc2)C1 ZINC001460017804 1067529631 /nfs/dbraw/zinc/52/96/31/1067529631.db2.gz IENMDUVJRRKOED-IYBDPMFKSA-N 0 0 458.967 4.774 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(OCC2CC2)nc1)c1ccc(Cl)cc1 ZINC001460018096 1067529825 /nfs/dbraw/zinc/52/98/25/1067529825.db2.gz ZFACPMSMGJDDGD-IBGZPJMESA-N 0 0 455.908 4.879 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001460018759 1067530037 /nfs/dbraw/zinc/53/00/37/1067530037.db2.gz WRCMPOXLZXIERE-OAQYLSRUSA-N 0 0 458.484 4.882 20 0 JJADRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c2)C1=O ZINC001460019999 1067530488 /nfs/dbraw/zinc/53/04/88/1067530488.db2.gz NOEPVACDGFISED-FQEVSTJZSA-N 0 0 451.832 4.836 20 0 JJADRN CN(Cc1csc(Cc2ccccc2)n1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC001460019894 1067530590 /nfs/dbraw/zinc/53/05/90/1067530590.db2.gz UWTOKCLJYKDSGY-UHFFFAOYSA-N 0 0 454.397 4.709 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC001460020629 1067530927 /nfs/dbraw/zinc/53/09/27/1067530927.db2.gz RVAPRKYWEHUOJB-SSDOTTSWSA-N 0 0 456.273 4.545 20 0 JJADRN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021942 1067531421 /nfs/dbraw/zinc/53/14/21/1067531421.db2.gz XMUHHUCJRVPRQX-WPRPVWTQSA-N 0 0 459.715 4.668 20 0 JJADRN Cc1cc([C@@H]2CCCN2Cc2nc(N)nc(Nc3ccccc3C)n2)ccc1Br ZINC001460023279 1067531868 /nfs/dbraw/zinc/53/18/68/1067531868.db2.gz LRCIQUPLNCXDHI-IBGZPJMESA-N 0 0 453.388 4.914 20 0 JJADRN CC(=O)NCCN(Cc1cccc(C(=O)NCC(C)C)c1)Cc1ccc(Cl)cc1Cl ZINC001460026555 1067533289 /nfs/dbraw/zinc/53/32/89/1067533289.db2.gz VWTBRXJAXQNVKL-UHFFFAOYSA-N 0 0 450.410 4.518 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001460028659 1067533506 /nfs/dbraw/zinc/53/35/06/1067533506.db2.gz IHTSSUGRYKMHDX-CQSZACIVSA-N 0 0 454.880 4.536 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001460029550 1067533512 /nfs/dbraw/zinc/53/35/12/1067533512.db2.gz GPNRDNCYMOYZTR-QGZVFWFLSA-N 0 0 456.203 4.966 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)nn1-c1ccccc1F ZINC001460031859 1067534424 /nfs/dbraw/zinc/53/44/24/1067534424.db2.gz KTUUPYDNVWRKIX-GOSISDBHSA-N 0 0 458.335 4.568 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNC(=O)CN(C(=O)OC(C)(C)C)C3CC3)cc2)c1 ZINC001460034293 1067535300 /nfs/dbraw/zinc/53/53/00/1067535300.db2.gz YWXCDLHUQAEUDG-UHFFFAOYSA-N 0 0 456.539 4.512 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001460033690 1067535354 /nfs/dbraw/zinc/53/53/54/1067535354.db2.gz YSVDNHVQVKKZPH-VWLOTQADSA-N 0 0 452.570 4.873 20 0 JJADRN CC(C)C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460035736 1067535729 /nfs/dbraw/zinc/53/57/29/1067535729.db2.gz CLWDMHIVGIRPIZ-AQNXPRMDSA-N 0 0 474.951 4.544 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC001460036350 1067535782 /nfs/dbraw/zinc/53/57/82/1067535782.db2.gz XPFAZZFXLNZCTB-NZQKXSOJSA-N 0 0 455.558 4.793 20 0 JJADRN Cn1cc(CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccc(Cl)cc2)cn1 ZINC001460035860 1067535806 /nfs/dbraw/zinc/53/58/06/1067535806.db2.gz AQMBQSHNJGITMS-UHFFFAOYSA-N 0 0 452.864 4.613 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)CN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460038543 1067536080 /nfs/dbraw/zinc/53/60/80/1067536080.db2.gz MOTMVTNHYJWTEM-NRFANRHFSA-N 0 0 456.949 4.721 20 0 JJADRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC001460040828 1067536400 /nfs/dbraw/zinc/53/64/00/1067536400.db2.gz SPZDJCOQFUNGIG-QMHKHESXSA-N 0 0 456.512 4.768 20 0 JJADRN CCn1cc([C@@H](C)NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)cn1 ZINC001460043498 1067537480 /nfs/dbraw/zinc/53/74/80/1067537480.db2.gz OISJNWCYASVZGP-CQSZACIVSA-N 0 0 450.340 4.767 20 0 JJADRN CCOC(=O)C1=C(CN2C[C@H](C(C)C)c3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460046652 1067538238 /nfs/dbraw/zinc/53/82/38/1067538238.db2.gz SFHQTZMQMSMNPM-AUSIDOKSSA-N 0 0 453.970 4.771 20 0 JJADRN Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cn1 ZINC001460056322 1067540961 /nfs/dbraw/zinc/54/09/61/1067540961.db2.gz OWIOOBRKWVHPEC-SLQAJWMNSA-N 0 0 450.391 4.825 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 ZINC001460059624 1067541822 /nfs/dbraw/zinc/54/18/22/1067541822.db2.gz FUIVKPRBEXNWHP-OWBHPGMISA-N 0 0 452.463 4.719 20 0 JJADRN Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)cccc1N1C(=O)N[C@H](C)C1=O ZINC001460059494 1067541829 /nfs/dbraw/zinc/54/18/29/1067541829.db2.gz AFIMZQPUGNOLRS-CQSZACIVSA-N 0 0 450.882 4.533 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001460059108 1067541973 /nfs/dbraw/zinc/54/19/73/1067541973.db2.gz IVEHJJGEDQYSMY-AWEZNQCLSA-N 0 0 456.892 4.678 20 0 JJADRN COc1nc(C(=O)O[C@@H](C)c2ccc(F)c(I)c2)cc2ccccc21 ZINC001460060517 1067542113 /nfs/dbraw/zinc/54/21/13/1067542113.db2.gz GEVAAECPHSSBFX-NSHDSACASA-N 0 0 451.235 4.905 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(F)c(I)c2)cc1 ZINC001460060804 1067542179 /nfs/dbraw/zinc/54/21/79/1067542179.db2.gz GSIISBJJZDILJI-NSHDSACASA-N 0 0 457.239 4.917 20 0 JJADRN Cn1c(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)nnc1-c1ccc(Cl)cc1 ZINC001460060877 1067542203 /nfs/dbraw/zinc/54/22/03/1067542203.db2.gz SKMKJTFYSUZQIF-UHFFFAOYSA-N 0 0 450.892 4.638 20 0 JJADRN COc1nc(C(=O)O[C@H](C)c2ccc(F)c(I)c2)cc2ccccc21 ZINC001460060514 1067542266 /nfs/dbraw/zinc/54/22/66/1067542266.db2.gz GEVAAECPHSSBFX-LLVKDONJSA-N 0 0 451.235 4.905 20 0 JJADRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc4ccc(Br)cc4s3)c2)C1=O ZINC001460062292 1067542398 /nfs/dbraw/zinc/54/23/98/1067542398.db2.gz NJXRYWSYLWLPFJ-OAHLLOKOSA-N 0 0 458.337 4.751 20 0 JJADRN COc1ccc2c(c1)C=C(C(=O)O[C@H](C)c1ccc(F)c(I)c1)CO2 ZINC001460062425 1067542511 /nfs/dbraw/zinc/54/25/11/1067542511.db2.gz OBMQBHPTICLNBA-LLVKDONJSA-N 0 0 454.235 4.519 20 0 JJADRN Cc1cc(-c2nc(C(=O)O[C@H](C)c3ccc(F)c(I)c3)co2)ccn1 ZINC001460063027 1067542885 /nfs/dbraw/zinc/54/28/85/1067542885.db2.gz UDLYFBVRXWYART-LLVKDONJSA-N 0 0 452.223 4.707 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CCS1 ZINC001546113620 1067543725 /nfs/dbraw/zinc/54/37/25/1067543725.db2.gz FFRYMBZVPFHMAI-UHFFFAOYSA-N 0 0 474.030 4.615 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC001460066414 1067543983 /nfs/dbraw/zinc/54/39/83/1067543983.db2.gz AFVLTRYACOHORI-QFIPXVFZSA-N 0 0 454.958 4.622 20 0 JJADRN CCCCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[C@@H]1CCCC[C@H]1OC ZINC001460070774 1067545715 /nfs/dbraw/zinc/54/57/15/1067545715.db2.gz TTWHXUKLDFTQDS-QZTJIDSGSA-N 0 0 459.637 4.773 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460073142 1067546359 /nfs/dbraw/zinc/54/63/59/1067546359.db2.gz QBSLVAYBCRZOCO-CVEARBPZSA-N 0 0 452.860 4.615 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001460073851 1067546869 /nfs/dbraw/zinc/54/68/69/1067546869.db2.gz SSDCGRKUGKORTJ-KRWDZBQOSA-N 0 0 455.393 4.505 20 0 JJADRN COCC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)c1cccc(C(F)(F)F)c1 ZINC001460074369 1067547395 /nfs/dbraw/zinc/54/73/95/1067547395.db2.gz FZJYCBASGOXUIU-KRWDZBQOSA-N 0 0 453.461 4.955 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC001460077864 1067548037 /nfs/dbraw/zinc/54/80/37/1067548037.db2.gz DMIRKYSZKFACAA-NFBKMPQASA-N 0 0 461.587 4.771 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(Cc2cc(Cl)ccc2I)C1 ZINC001460079351 1067548500 /nfs/dbraw/zinc/54/85/00/1067548500.db2.gz WMRUBLVYXNDBTF-INIZCTEOSA-N 0 0 457.739 4.997 20 0 JJADRN CCOC(=O)[C@@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1F ZINC001460082397 1067549042 /nfs/dbraw/zinc/54/90/42/1067549042.db2.gz UGJWIFAWZYVPQV-PXNSSMCTSA-N 0 0 454.336 4.951 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CCS1 ZINC001546113713 1067549064 /nfs/dbraw/zinc/54/90/64/1067549064.db2.gz IVEXXPCDVUCZJB-GOSISDBHSA-N 0 0 492.089 4.747 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)CCS1 ZINC001546113727 1067549415 /nfs/dbraw/zinc/54/94/15/1067549415.db2.gz JBVXMXLYOJWXGM-GOSISDBHSA-N 0 0 472.634 4.759 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN(C)Cc3nc(-c4cccs4)no3)n2)cc1 ZINC001460083857 1067549678 /nfs/dbraw/zinc/54/96/78/1067549678.db2.gz WVVAZBFRGQFVGM-UHFFFAOYSA-N 0 0 453.593 4.945 20 0 JJADRN O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460084100 1067549758 /nfs/dbraw/zinc/54/97/58/1067549758.db2.gz LLSREYAYUMAHDC-QGZVFWFLSA-N 0 0 454.354 4.908 20 0 JJADRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1 ZINC001460083783 1067549800 /nfs/dbraw/zinc/54/98/00/1067549800.db2.gz WFSYVVOBUNZXKJ-QGZVFWFLSA-N 0 0 451.355 4.831 20 0 JJADRN CCc1ccc(N2CCN(C[C@@](C)(O)c3ccc(Br)cc3F)CC2)cc1Cl ZINC001460090096 1067551647 /nfs/dbraw/zinc/55/16/47/1067551647.db2.gz OJADHJRYFUOMJZ-OAQYLSRUSA-N 0 0 455.799 4.834 20 0 JJADRN COC(=O)Cc1cccc2c(OC(=O)c3ccc(OC)cc3OCCOC(C)C)cccc12 ZINC001460089908 1067551682 /nfs/dbraw/zinc/55/16/82/1067551682.db2.gz VNSQLXJNECFAJZ-UHFFFAOYSA-N 0 0 452.503 4.587 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCc2ccc(Br)cc2C1 ZINC001460093759 1067552669 /nfs/dbraw/zinc/55/26/69/1067552669.db2.gz MELZNWILVUVTDE-UHFFFAOYSA-N 0 0 453.384 4.639 20 0 JJADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN(Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC001460096316 1067553878 /nfs/dbraw/zinc/55/38/78/1067553878.db2.gz CLINSDHNGOOEHX-UHFFFAOYSA-N 0 0 456.512 4.531 20 0 JJADRN C[C@H](NC(=O)C1(c2cccc(Br)c2)CCCCC1)C(=O)NCCc1ccccc1 ZINC001460097322 1067554284 /nfs/dbraw/zinc/55/42/84/1067554284.db2.gz MDAHRINGTYQKSX-SFHVURJKSA-N 0 0 457.412 4.515 20 0 JJADRN Cc1ccc(C(=O)Nc2nc(C(F)(F)F)c(I)s2)c2c1CCC2 ZINC001460101293 1067555221 /nfs/dbraw/zinc/55/52/21/1067555221.db2.gz QKQTZIKRQTYGBN-UHFFFAOYSA-N 0 0 452.239 4.816 20 0 JJADRN Cc1sc2nc(CN3CCC([C@@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)nc(N)c2c1C ZINC001460103007 1067555419 /nfs/dbraw/zinc/55/54/19/1067555419.db2.gz BOLNRACBENUGSI-IBGZPJMESA-N 0 0 459.660 4.748 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1S(=O)(=O)NC1CCCC1 ZINC001460104259 1067555920 /nfs/dbraw/zinc/55/59/20/1067555920.db2.gz HTVYSXFMPUCDTI-LADGPHEKSA-N 0 0 454.636 4.920 20 0 JJADRN CCOc1ccc(NC(=O)[C@H](C)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001460104968 1067556295 /nfs/dbraw/zinc/55/62/95/1067556295.db2.gz JPKZWAJZGFERIM-AVRDEDQJSA-N 0 0 459.631 4.770 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)CN1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460106569 1067556314 /nfs/dbraw/zinc/55/63/14/1067556314.db2.gz QVUCJMVYLMABKY-NRFANRHFSA-N 0 0 450.023 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001460110659 1067557064 /nfs/dbraw/zinc/55/70/64/1067557064.db2.gz CTFZOGQXNMTCLU-AWEZNQCLSA-N 0 0 454.752 4.989 20 0 JJADRN O=C(Nc1ccc2c(Cl)ccc(Br)c2n1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001460112355 1067557282 /nfs/dbraw/zinc/55/72/82/1067557282.db2.gz NKWJNDKFICYFQL-SNVBAGLBSA-N 0 0 450.686 4.864 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@H](C)O1 ZINC001460114115 1067558066 /nfs/dbraw/zinc/55/80/66/1067558066.db2.gz GSFDCRNRASQDHU-HOTGVXAUSA-N 0 0 454.368 4.859 20 0 JJADRN O=C(c1cc(F)ccc1Sc1ccc(Cl)cc1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001460115923 1067558257 /nfs/dbraw/zinc/55/82/57/1067558257.db2.gz BAZZNIXXFXQGJW-OAQYLSRUSA-N 0 0 453.988 4.671 20 0 JJADRN O=C(NCCOc1ccc(Cl)c(F)c1)c1cc(Br)ccc1Br ZINC001460122180 1067559432 /nfs/dbraw/zinc/55/94/32/1067559432.db2.gz UTZVCBLTXARVKN-UHFFFAOYSA-N 0 0 451.517 4.813 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)c(Cl)cc1Cl ZINC001460122466 1067559685 /nfs/dbraw/zinc/55/96/85/1067559685.db2.gz FXUYEMYCVXAIBH-PELKAZGASA-N 0 0 472.234 4.742 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)C[C@@H]2OCCc3ccccc32)C1=O ZINC001460125184 1067560000 /nfs/dbraw/zinc/56/00/00/1067560000.db2.gz FMZYYFUMLPJWPM-YADHBBJMSA-N 0 0 457.412 4.807 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125323 1067560077 /nfs/dbraw/zinc/56/00/77/1067560077.db2.gz LPPHRBKNNHYQGO-SFHVURJKSA-N 0 0 457.977 4.841 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)oc3ccccc32)CCS1 ZINC001546114061 1067560877 /nfs/dbraw/zinc/56/08/77/1067560877.db2.gz UGSCRXPVFMOPAP-UHFFFAOYSA-N 0 0 455.628 4.631 20 0 JJADRN Fc1cccc(N2CCCN(Cc3cc4c(cc3Br)OCCCO4)CC2)c1F ZINC001460131016 1067561223 /nfs/dbraw/zinc/56/12/23/1067561223.db2.gz SSKLQGUFIZBMSI-UHFFFAOYSA-N 0 0 453.327 4.601 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOc3ccccc32)CCS1 ZINC001546114078 1067561528 /nfs/dbraw/zinc/56/15/28/1067561528.db2.gz VAHFNGFXFQSHHC-PMACEKPBSA-N 0 0 474.671 4.680 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001460137038 1067562483 /nfs/dbraw/zinc/56/24/83/1067562483.db2.gz HACAFADTYLTKNA-HXUWFJFHSA-N 0 0 457.299 4.989 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)s1 ZINC001460141120 1067563489 /nfs/dbraw/zinc/56/34/89/1067563489.db2.gz HKJWDWIEZALKDN-RHSMWYFYSA-N 0 0 456.534 4.690 20 0 JJADRN CC(C)n1cc(C2=CCCN([C@@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148084 1067564889 /nfs/dbraw/zinc/56/48/89/1067564889.db2.gz MYRHBQUXOLPBFA-FQEVSTJZSA-N 0 0 457.578 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001460147978 1067564998 /nfs/dbraw/zinc/56/49/98/1067564998.db2.gz CFSMWSBLRFZZJC-SFHVURJKSA-N 0 0 456.583 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001460150722 1067565705 /nfs/dbraw/zinc/56/57/05/1067565705.db2.gz KOSPJZUVKALNRQ-SZMVWBNQSA-N 0 0 456.505 4.985 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3cc(F)c(F)cc3C(N)=O)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001460153968 1067566093 /nfs/dbraw/zinc/56/60/93/1067566093.db2.gz RXWGHLXHIYXRSD-UHFFFAOYSA-N 0 0 453.449 4.518 20 0 JJADRN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001460161106 1067567619 /nfs/dbraw/zinc/56/76/19/1067567619.db2.gz UXZUEPRAOTWFRA-OAQYLSRUSA-N 0 0 450.888 4.877 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)Nc1nnc2ccc(Br)cn21)c1ccccc1 ZINC001460162162 1067568029 /nfs/dbraw/zinc/56/80/29/1067568029.db2.gz XJWALSQOMNJVII-FQEVSTJZSA-N 0 0 451.324 4.813 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)Nc2nnc3ccc(Br)cn32)cc1C ZINC001460161118 1067568040 /nfs/dbraw/zinc/56/80/40/1067568040.db2.gz QGJFMRKPQOKWKH-UHFFFAOYSA-N 0 0 454.353 4.907 20 0 JJADRN Cc1c(C(=O)Oc2ccc(C)c(Br)c2)nnn1-c1cccc(Br)c1 ZINC001460167208 1067568425 /nfs/dbraw/zinc/56/84/25/1067568425.db2.gz KRMSGSHHTMTAMX-UHFFFAOYSA-N 0 0 451.118 4.628 20 0 JJADRN COc1c(OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)ccc2ccccc21 ZINC001460169029 1067569135 /nfs/dbraw/zinc/56/91/35/1067569135.db2.gz YJVBAFNUGLOFJV-ROUUACIJSA-N 0 0 453.560 4.734 20 0 JJADRN CN(C(=O)CN1CCC[C@H]1COc1ccccc1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169757 1067569217 /nfs/dbraw/zinc/56/92/17/1067569217.db2.gz CZUOGYPQLAEJPX-RXFWQSSRSA-N 0 0 454.998 4.680 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001460175799 1067570997 /nfs/dbraw/zinc/57/09/97/1067570997.db2.gz CYVQBZDURKSJIR-VBKZILBWSA-N 0 0 453.327 4.542 20 0 JJADRN O[C@H](CN(CCc1ccc(Cl)cc1)Cc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC001460176728 1067571509 /nfs/dbraw/zinc/57/15/09/1067571509.db2.gz RQNVYCJSTARTQG-LJQANCHMSA-N 0 0 450.284 4.733 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)N(c1ccc(Br)cc1)C1CC1 ZINC001460180448 1067572195 /nfs/dbraw/zinc/57/21/95/1067572195.db2.gz MVLFTULQKHKNFY-CSKARUKUSA-N 0 0 458.093 4.856 20 0 JJADRN O=C(CN1CC[C@@H](n2cccn2)C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460180595 1067572729 /nfs/dbraw/zinc/57/27/29/1067572729.db2.gz PCNORAGANLQACV-GOSISDBHSA-N 0 0 457.397 4.682 20 0 JJADRN O=C(CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001460182858 1067573376 /nfs/dbraw/zinc/57/33/76/1067573376.db2.gz YDQJCRXHCCSDSB-HZPDHXFCSA-N 0 0 458.868 4.759 20 0 JJADRN COC[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1ccc(Cl)cc1 ZINC001460188931 1067574850 /nfs/dbraw/zinc/57/48/50/1067574850.db2.gz QQZURUBVQBFGIH-CYBMUJFWSA-N 0 0 455.292 4.672 20 0 JJADRN COC[C@H](CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC001460189777 1067575043 /nfs/dbraw/zinc/57/50/43/1067575043.db2.gz UPZJGZUXFFVSMP-INIZCTEOSA-N 0 0 454.876 4.646 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)NCC1(CF)CCOCC1 ZINC001460189994 1067575364 /nfs/dbraw/zinc/57/53/64/1067575364.db2.gz GMXYHYWELPTXAT-UHFFFAOYSA-N 0 0 450.341 4.893 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460191452 1067575389 /nfs/dbraw/zinc/57/53/89/1067575389.db2.gz XJRNMAOCOFWLRP-GCJKJVERSA-N 0 0 457.398 4.931 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)c2ccc(I)cn2)c1Br ZINC001460190305 1067575398 /nfs/dbraw/zinc/57/53/98/1067575398.db2.gz PMAXOSJOTXYVJR-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1cc(Cl)cc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)c1Br ZINC001460191683 1067575538 /nfs/dbraw/zinc/57/55/38/1067575538.db2.gz YJBAIBIJSRNODV-UHFFFAOYSA-N 0 0 452.704 4.588 20 0 JJADRN CC(C)[C@@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC001460199011 1067577324 /nfs/dbraw/zinc/57/73/24/1067577324.db2.gz FBHAKMYNQPTFAB-ITKSXJDCSA-N 0 0 452.998 4.735 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(Cc2csc(Br)c2)CC1 ZINC001460200603 1067577903 /nfs/dbraw/zinc/57/79/03/1067577903.db2.gz ZGTVRVZQQLZAMW-WMZOPIPTSA-N 0 0 459.450 4.795 20 0 JJADRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccccc2N(C)C)cc1 ZINC001460201580 1067578255 /nfs/dbraw/zinc/57/82/55/1067578255.db2.gz FWDAAOPSAZXIKR-HHHXNRCGSA-N 0 0 456.590 4.571 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)CN(C)Cc3ccccc3N(C)C)n(-c3ccccc3)n2)cc1 ZINC001460205661 1067578577 /nfs/dbraw/zinc/57/85/77/1067578577.db2.gz QNWVVQCOROACMX-UHFFFAOYSA-N 0 0 453.590 4.984 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(F)c2)CCS1 ZINC001546114635 1067578648 /nfs/dbraw/zinc/57/86/48/1067578648.db2.gz AJKZTWOLQUFNDM-DEOSSOPVSA-N 0 0 480.625 4.757 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc1)C1CCCC1 ZINC001460207932 1067579382 /nfs/dbraw/zinc/57/93/82/1067579382.db2.gz BUDDVHJBGXNSAK-OAQYLSRUSA-N 0 0 455.396 4.885 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CCCOC(C)C)nc1-c1ccc(Br)cc1 ZINC001460208032 1067579648 /nfs/dbraw/zinc/57/96/48/1067579648.db2.gz BYPZYFWWTDGOSE-UHFFFAOYSA-N 0 0 455.374 4.893 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209022 1067579674 /nfs/dbraw/zinc/57/96/74/1067579674.db2.gz YDRDMTRNTCEAEV-HKUYNNGSSA-N 0 0 458.628 4.540 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001460210814 1067580061 /nfs/dbraw/zinc/58/00/61/1067580061.db2.gz GOBDJGVZZBSJBR-AWEZNQCLSA-N 0 0 456.306 4.559 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)nc1-c1ccc(Br)cc1 ZINC001460212091 1067580703 /nfs/dbraw/zinc/58/07/03/1067580703.db2.gz QAGCJEMSBGGDGY-UEKVPHQBSA-N 0 0 453.358 4.501 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CCS1 ZINC001546114692 1067581515 /nfs/dbraw/zinc/58/15/15/1067581515.db2.gz BZNKLZYLDRJMQK-UHFFFAOYSA-N 0 0 492.020 4.759 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)nc2)CCS1 ZINC001546114704 1067581644 /nfs/dbraw/zinc/58/16/44/1067581644.db2.gz CLLJKIPAHSPTJK-UHFFFAOYSA-N 0 0 472.062 4.615 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CCS1 ZINC001546114753 1067582133 /nfs/dbraw/zinc/58/21/33/1067582133.db2.gz FIWSQTFSGMUKEQ-BVZFJXPGSA-N 0 0 474.671 4.625 20 0 JJADRN CO[C@](C)(CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)c1ccccc1 ZINC001460219926 1067582758 /nfs/dbraw/zinc/58/27/58/1067582758.db2.gz YZRIQPYASPVEBZ-LJQANCHMSA-N 0 0 455.292 4.500 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CCS1 ZINC001546114812 1067583237 /nfs/dbraw/zinc/58/32/37/1067583237.db2.gz HJEIQOQEGZUOHU-NRFANRHFSA-N 0 0 451.036 4.516 20 0 JJADRN COc1cccc(OC)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460228066 1067584230 /nfs/dbraw/zinc/58/42/30/1067584230.db2.gz AUMSSRJIFGKZRP-UYAOXDASSA-N 0 0 472.557 4.614 20 0 JJADRN O=C(NCc1c(Br)cncc1Br)c1csc(-c2ccccc2)n1 ZINC001460229717 1067585106 /nfs/dbraw/zinc/58/51/06/1067585106.db2.gz YUIUYEHATCRFGI-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC001460231162 1067585358 /nfs/dbraw/zinc/58/53/58/1067585358.db2.gz JUTZKQNLXAFHDK-PMACEKPBSA-N 0 0 451.007 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001460233738 1067586164 /nfs/dbraw/zinc/58/61/64/1067586164.db2.gz TZOOIHVEJQCEHZ-FCEUIQTBSA-N 0 0 462.606 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccc(NC3CC3)nc2)C1 ZINC001460233692 1067586189 /nfs/dbraw/zinc/58/61/89/1067586189.db2.gz TUDCTYKJUBROOW-DENIHFKCSA-N 0 0 468.573 4.566 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC(=O)N2C)cc1 ZINC001460233786 1067586274 /nfs/dbraw/zinc/58/62/74/1067586274.db2.gz ULCAZNMSCOVNSA-UPVQGACJSA-N 0 0 454.998 4.886 20 0 JJADRN 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C[C@H](NC(=O)[C@H](C)N(C)C[C@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238520 1067588216 /nfs/dbraw/zinc/58/82/16/1067588216.db2.gz QLGPIEKMKVVADJ-QQMNAOGKSA-N 0 0 455.396 4.833 20 0 JJADRN CN(CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240072 1067588743 /nfs/dbraw/zinc/58/87/43/1067588743.db2.gz VCIGVIWSOQGDSA-QHCPKHFHSA-N 0 0 453.380 4.648 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1)c1ccccc1 ZINC001460240342 1067589103 /nfs/dbraw/zinc/58/91/03/1067589103.db2.gz MRLWRFGRUPUOTN-JTDSTZFVSA-N 0 0 454.514 4.529 20 0 JJADRN CN(C)C(=O)O[C@H]1CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001460246206 1067590267 /nfs/dbraw/zinc/59/02/67/1067590267.db2.gz FEPGMOGGUCQOPI-NRFANRHFSA-N 0 0 453.970 4.575 20 0 JJADRN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001460245187 1067590406 /nfs/dbraw/zinc/59/04/06/1067590406.db2.gz FQTJUPJDDKRCIB-KRWDZBQOSA-N 0 0 450.649 4.529 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)cnc2C)cnn1-c1ccc(Br)cc1 ZINC001460252319 1067591998 /nfs/dbraw/zinc/59/19/98/1067591998.db2.gz JTGBFWUUSLVVEU-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC001460257667 1067592453 /nfs/dbraw/zinc/59/24/53/1067592453.db2.gz MTXKFYWUTPTPQA-UHFFFAOYSA-N 0 0 457.328 4.691 20 0 JJADRN CN(C)C(=O)C[C@H](NC(=O)c1cnc(-c2ccccc2Br)s1)c1ccccc1 ZINC001460257728 1067592458 /nfs/dbraw/zinc/59/24/58/1067592458.db2.gz NIQJDYBGNPCYHX-KRWDZBQOSA-N 0 0 458.381 4.522 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CCS1 ZINC001546115099 1067592571 /nfs/dbraw/zinc/59/25/71/1067592571.db2.gz RYFHYUMTYHOPIM-AREMUKBSSA-N 0 0 488.698 4.682 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC[C@@H](CCO)CC1 ZINC001460259801 1067592951 /nfs/dbraw/zinc/59/29/51/1067592951.db2.gz VXIHCUFFEHRMOW-LJQANCHMSA-N 0 0 458.624 4.632 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN3Cc4ccc(OC)cc4OC(C)(C)C3)s2)cc1 ZINC001460261175 1067593251 /nfs/dbraw/zinc/59/32/51/1067593251.db2.gz 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CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(F)c2)CCS1 ZINC001546115157 1067593911 /nfs/dbraw/zinc/59/39/11/1067593911.db2.gz UUQBANPMBDGDNK-VWLOTQADSA-N 0 0 492.661 4.649 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2nc1C(F)(F)F ZINC001460268784 1067594271 /nfs/dbraw/zinc/59/42/71/1067594271.db2.gz MWDTZKHGNHCYPH-ZDUSSCGKSA-N 0 0 457.456 4.718 20 0 JJADRN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)ncc1I ZINC001460271155 1067594948 /nfs/dbraw/zinc/59/49/48/1067594948.db2.gz IOHLSKLERGGIRF-UHFFFAOYSA-N 0 0 457.630 4.694 20 0 JJADRN Cn1cc([C@@H]2CN(Cc3nc4c(s3)C(C)(C)CC(C)(C)C4)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275386 1067595680 /nfs/dbraw/zinc/59/56/80/1067595680.db2.gz ANPVYDMEJDBHDF-PKOBYXMFSA-N 0 0 473.687 4.619 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCCC2)CCS1 ZINC001546115218 1067596097 /nfs/dbraw/zinc/59/60/97/1067596097.db2.gz WQYMTFLEDDODOG-UHFFFAOYSA-N 0 0 474.671 4.770 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccc1 ZINC001460281006 1067597436 /nfs/dbraw/zinc/59/74/36/1067597436.db2.gz BRAWCEGQMICGEL-QHCPKHFHSA-N 0 0 457.473 4.746 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001460281892 1067597608 /nfs/dbraw/zinc/59/76/08/1067597608.db2.gz ZRRDGGDJWGRRAI-JTQLQIEISA-N 0 0 459.484 4.924 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)CSc1ccc(Br)cc1)c1ccccc1 ZINC001460282184 1067597861 /nfs/dbraw/zinc/59/78/61/1067597861.db2.gz IJIJAVFVDODFAT-QGZVFWFLSA-N 0 0 458.324 4.597 20 0 JJADRN COc1ccc(Cn2cc(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)cn2)cc1OC ZINC001460283514 1067598203 /nfs/dbraw/zinc/59/82/03/1067598203.db2.gz FVGQGGYBFWQGPI-UHFFFAOYSA-N 0 0 455.820 4.753 20 0 JJADRN CCc1nocc1CN(C)C(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001460284101 1067598224 /nfs/dbraw/zinc/59/82/24/1067598224.db2.gz DJCBJXFAPMLFIE-UHFFFAOYSA-N 0 0 451.324 4.882 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001460284240 1067598296 /nfs/dbraw/zinc/59/82/96/1067598296.db2.gz DSFLVINQXFCGPM-OAHLLOKOSA-N 0 0 452.389 4.977 20 0 JJADRN CCOC(=O)CN1c2ccc(NC(=O)CC3CCC(C(C)(C)C)CC3)cc2C(F)(F)C1=O ZINC001460284081 1067598306 /nfs/dbraw/zinc/59/83/06/1067598306.db2.gz CUMOASASCRRVDO-UHFFFAOYSA-N 0 0 450.526 4.869 20 0 JJADRN Cc1ccc(NC(=O)CCCc2ccc3c(c2)OCCCO3)cc1S(=O)(=O)C1CCCC1 ZINC001460286120 1067598700 /nfs/dbraw/zinc/59/87/00/1067598700.db2.gz KXDLHVXIMBMUTF-UHFFFAOYSA-N 0 0 457.592 4.834 20 0 JJADRN C[C@H]1CCCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@H]1C(=O)OC(C)(C)C ZINC001460287164 1067598869 /nfs/dbraw/zinc/59/88/69/1067598869.db2.gz QQDCKVMNMPPALG-YCRPNKLZSA-N 0 0 454.596 4.672 20 0 JJADRN CCOC(=O)CN1c2ccc(NC(=O)c3ccc(C(C)C)c(Cl)c3)cc2C(F)(F)C1=O ZINC001460288668 1067599661 /nfs/dbraw/zinc/59/96/61/1067599661.db2.gz WOSSFXAQXRTTLT-UHFFFAOYSA-N 0 0 450.869 4.717 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)COC)CCS1 ZINC001546115291 1067599885 /nfs/dbraw/zinc/59/98/85/1067599885.db2.gz ZAKCDYPTARYYIR-GOSISDBHSA-N 0 0 454.644 4.730 20 0 JJADRN 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CCOC(=O)C(F)(F)[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CC1 ZINC001460303704 1067602651 /nfs/dbraw/zinc/60/26/51/1067602651.db2.gz PIERBBOTPOURAY-NRFANRHFSA-N 0 0 451.897 4.555 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001460303826 1067603220 /nfs/dbraw/zinc/60/32/20/1067603220.db2.gz DALPYOWZTUWZMZ-UHFFFAOYSA-N 0 0 457.582 4.874 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2I)c(Br)n1 ZINC001460308168 1067604313 /nfs/dbraw/zinc/60/43/13/1067604313.db2.gz OKOSOIRSQABVFF-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001460308832 1067604553 /nfs/dbraw/zinc/60/45/53/1067604553.db2.gz UJGJGOSXKSHWRE-XJABCFGWSA-N 0 0 453.587 4.545 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311615 1067605067 /nfs/dbraw/zinc/60/50/67/1067605067.db2.gz AAFQEVHUMYTVTH-ARNLJNQMSA-N 0 0 454.998 4.576 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 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ZINC001460461018 1067638483 /nfs/dbraw/zinc/63/84/83/1067638483.db2.gz SFQABXAJIMREFX-IBGZPJMESA-N 0 0 450.808 4.870 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460462480 1067638551 /nfs/dbraw/zinc/63/85/51/1067638551.db2.gz YZXQGCWKGUCYOU-VQIMIIECSA-N 0 0 481.659 4.577 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cn1 ZINC001460461025 1067638604 /nfs/dbraw/zinc/63/86/04/1067638604.db2.gz SFQABXAJIMREFX-LJQANCHMSA-N 0 0 450.808 4.870 20 0 JJADRN C[C@@H]1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460463533 1067638644 /nfs/dbraw/zinc/63/86/44/1067638644.db2.gz VWVPEHZHQGUFOY-OFNKIYASSA-N 0 0 451.611 4.841 20 0 JJADRN Cc1ccccc1-c1noc([C@H](C)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)n1 ZINC001460466297 1067639141 /nfs/dbraw/zinc/63/91/41/1067639141.db2.gz ZFVKQZWIOUWQRQ-PWIZWCRZSA-N 0 0 458.484 4.643 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472987 1067640585 /nfs/dbraw/zinc/64/05/85/1067640585.db2.gz RBTYJWZSIKGANP-SFTDATJTSA-N 0 0 451.394 4.769 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC[C@H]1F ZINC001460475461 1067640942 /nfs/dbraw/zinc/64/09/42/1067640942.db2.gz JNQFJEOKYGYYNV-IAGOWNOFSA-N 0 0 458.559 4.501 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC001460477058 1067641362 /nfs/dbraw/zinc/64/13/62/1067641362.db2.gz JQUFCGYTYVJQFH-VQTJNVASSA-N 0 0 450.348 4.563 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001460477661 1067641830 /nfs/dbraw/zinc/64/18/30/1067641830.db2.gz JLVHTGQUDATZRX-UHFFFAOYSA-N 0 0 452.274 4.968 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c(C(C)(C)C)c1 ZINC001460480813 1067642750 /nfs/dbraw/zinc/64/27/50/1067642750.db2.gz INLJWTZTOXXFKE-QHCPKHFHSA-N 0 0 450.623 4.620 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ncc(Br)c(C)c2I)s1 ZINC001460482535 1067643253 /nfs/dbraw/zinc/64/32/53/1067643253.db2.gz ZSHYGTZLNIMTRC-UHFFFAOYSA-N 0 0 451.127 4.688 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001460490445 1067644674 /nfs/dbraw/zinc/64/46/74/1067644674.db2.gz SRPWCWLURKVUQM-UHFFFAOYSA-N 0 0 455.498 4.571 20 0 JJADRN O=c1[nH]c(CN2CCc3ccc(F)c(Br)c3C2)nc2cc(C(F)(F)F)ccc12 ZINC001460492212 1067644836 /nfs/dbraw/zinc/64/48/36/1067644836.db2.gz AFJZHKKPNYEBTO-UHFFFAOYSA-N 0 0 456.237 4.814 20 0 JJADRN Cc1sc(NC(=O)CN2CCC[C@]2(C)C(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 ZINC001460501982 1067645758 /nfs/dbraw/zinc/64/57/58/1067645758.db2.gz MVNCFDMUZRYNND-JOCHJYFZSA-N 0 0 450.004 4.907 20 0 JJADRN COCc1ncc(COC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)s1 ZINC001460504408 1067645829 /nfs/dbraw/zinc/64/58/29/1067645829.db2.gz YOGJFPDETCSSRN-AVRDEDQJSA-N 0 0 456.589 4.887 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CC(=O)Nc1cccc(Oc3ccccc3)c1)C2 ZINC001460516714 1067647477 /nfs/dbraw/zinc/64/74/77/1067647477.db2.gz LHRRDMZSPDAZHC-AFMDSPMNSA-N 0 0 451.567 4.797 20 0 JJADRN Cc1c(C(=O)N2CCC(c3ccc(F)cc3C)CC2)nnn1-c1cccc(Br)c1 ZINC001460522496 1067648478 /nfs/dbraw/zinc/64/84/78/1067648478.db2.gz PSMZTHAADLZJAN-UHFFFAOYSA-N 0 0 457.347 4.806 20 0 JJADRN Cc1c(C(=O)NCCSCc2ccnc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001546116887 1067648602 /nfs/dbraw/zinc/64/86/02/1067648602.db2.gz MUSUDLNSOPBMAK-UHFFFAOYSA-N 0 0 454.905 4.911 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cc(OCc2ccccc2)ccn1 ZINC001460525616 1067650253 /nfs/dbraw/zinc/65/02/53/1067650253.db2.gz MMJQNRLNWQLLIP-UHFFFAOYSA-N 0 0 454.929 4.975 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001460526402 1067650734 /nfs/dbraw/zinc/65/07/34/1067650734.db2.gz PLFHIYXREVXKTG-UHFFFAOYSA-N 0 0 451.741 4.900 20 0 JJADRN Cc1cc(Cl)cnc1NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC001460529619 1067651191 /nfs/dbraw/zinc/65/11/91/1067651191.db2.gz BORLAUPHAKJPBL-AWEZNQCLSA-N 0 0 459.930 4.575 20 0 JJADRN CCCO[C@H](C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(F)cc1C ZINC001460533360 1067652156 /nfs/dbraw/zinc/65/21/56/1067652156.db2.gz LRIYFGBHDMZQKX-QHCPKHFHSA-N 0 0 451.498 4.787 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 ZINC001460532675 1067652252 /nfs/dbraw/zinc/65/22/52/1067652252.db2.gz KXRSPPMUBQVNGE-UHFFFAOYSA-N 0 0 456.502 4.823 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)[C@@H](C)c3ccc(Br)cc3)c2)ccn1 ZINC001460538960 1067653330 /nfs/dbraw/zinc/65/33/30/1067653330.db2.gz AVBVLIDWQSFSHA-AWEZNQCLSA-N 0 0 454.324 4.738 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)CCCOc3ccc(Cl)c(C)c3)c2)ccn1 ZINC001460542075 1067653800 /nfs/dbraw/zinc/65/38/00/1067653800.db2.gz MXQDLVPXQLWQSA-UHFFFAOYSA-N 0 0 453.926 4.993 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)c2)ccn1 ZINC001460540525 1067653805 /nfs/dbraw/zinc/65/38/05/1067653805.db2.gz IPMSUEMTKDIJBP-UHFFFAOYSA-N 0 0 451.351 4.783 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)OCc2ccc(OC(F)F)c(F)c2)(C(F)(F)F)C1 ZINC001460544879 1067653818 /nfs/dbraw/zinc/65/38/18/1067653818.db2.gz CEEWWEHRDUVSLG-GOSISDBHSA-N 0 0 457.367 4.660 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c(C2CC2)n1 ZINC001460541920 1067653899 /nfs/dbraw/zinc/65/38/99/1067653899.db2.gz BPNOLWNYWHMAMN-UHFFFAOYSA-N 0 0 457.777 4.568 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCC[C@H]1CCc2ccccc21 ZINC001460547129 1067654274 /nfs/dbraw/zinc/65/42/74/1067654274.db2.gz QPUOIPVWDNZZCV-GOSISDBHSA-N 0 0 455.480 4.927 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1ccc(Br)c(C2CC2)n1 ZINC001460547872 1067654680 /nfs/dbraw/zinc/65/46/80/1067654680.db2.gz TXVSUYNOKGZNPY-UHFFFAOYSA-N 0 0 454.162 4.682 20 0 JJADRN O=c1[nH]c(CN2CCc3cc(F)cc(Br)c3C2)nc2cc(C(F)(F)F)ccc12 ZINC001460561889 1067655900 /nfs/dbraw/zinc/65/59/00/1067655900.db2.gz AMMKTISDKUBGBI-UHFFFAOYSA-N 0 0 456.237 4.814 20 0 JJADRN O=C(NCc1cc(F)cnc1Cl)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001460560013 1067655934 /nfs/dbraw/zinc/65/59/34/1067655934.db2.gz OBZZIGHBQFJLHN-UHFFFAOYSA-N 0 0 454.929 4.818 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCc3c(F)cccc32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001460558679 1067655989 /nfs/dbraw/zinc/65/59/89/1067655989.db2.gz RSDXYYBHLRNWJK-HSZRJFAPSA-N 0 0 458.599 4.671 20 0 JJADRN COC[C@H](C)N(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCc2ccccc21 ZINC001460571030 1067658250 /nfs/dbraw/zinc/65/82/50/1067658250.db2.gz AKBCQYVOHDUMHF-KKSFZXQISA-N 0 0 456.384 4.947 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC=C(C)C)CCS1 ZINC001546117387 1067658703 /nfs/dbraw/zinc/65/87/03/1067658703.db2.gz FEHPIMGZKRSDNU-UHFFFAOYSA-N 0 0 469.703 4.920 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccn(CCC(F)(F)F)n1 ZINC001460576867 1067659638 /nfs/dbraw/zinc/65/96/38/1067659638.db2.gz LSUFALMPXOXSPG-UHFFFAOYSA-N 0 0 454.811 4.701 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)c1ccc(F)c(Br)c1 ZINC001460576803 1067659645 /nfs/dbraw/zinc/65/96/45/1067659645.db2.gz LANMISMDNLHJSD-LBPRGKRZSA-N 0 0 455.349 4.588 20 0 JJADRN C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(N2CCCCC2=O)cc1 ZINC001460578400 1067660298 /nfs/dbraw/zinc/66/02/98/1067660298.db2.gz BPQDFMWVZCFNKJ-INIZCTEOSA-N 0 0 456.468 4.899 20 0 JJADRN O=C(CN1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001460581964 1067661198 /nfs/dbraw/zinc/66/11/98/1067661198.db2.gz NFISUDNOGFJYSD-LJQANCHMSA-N 0 0 458.027 4.907 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)ccc1Br ZINC001460584885 1067662701 /nfs/dbraw/zinc/66/27/01/1067662701.db2.gz PDRFOWCOBUGCBP-MHJFOBGBSA-N 0 0 452.433 4.949 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2F)ccn1 ZINC001460587487 1067662815 /nfs/dbraw/zinc/66/28/15/1067662815.db2.gz VERPTBUGWAYIKB-UHFFFAOYSA-N 0 0 451.473 4.962 20 0 JJADRN CC1(C2CC2)CCN(C(=O)c2cc(I)ccc2N2CCCCC2)CC1 ZINC001460586693 1067663141 /nfs/dbraw/zinc/66/31/41/1067663141.db2.gz GOMWGQCJKJUGRX-UHFFFAOYSA-N 0 0 452.380 4.934 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCc1noc(-c2c(F)cccc2Cl)n1 ZINC001460588735 1067663601 /nfs/dbraw/zinc/66/36/01/1067663601.db2.gz BLSDOIWNUVTJDO-HXUWFJFHSA-N 0 0 453.901 4.946 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCSCC1 ZINC001460590597 1067664196 /nfs/dbraw/zinc/66/41/96/1067664196.db2.gz HATBKPBKSGWVLX-UHFFFAOYSA-N 0 0 455.502 4.685 20 0 JJADRN COc1cnc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c(Br)c1 ZINC001460591504 1067664413 /nfs/dbraw/zinc/66/44/13/1067664413.db2.gz ANFIQEPYBMMEPJ-FQEVSTJZSA-N 0 0 451.324 4.799 20 0 JJADRN Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)cc2)c(C(=O)NCC(F)(F)F)cc1F ZINC001460594311 1067665108 /nfs/dbraw/zinc/66/51/08/1067665108.db2.gz TUSJBRGCKVSPIV-UHFFFAOYSA-N 0 0 451.464 4.915 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)N[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001460598240 1067666097 /nfs/dbraw/zinc/66/60/97/1067666097.db2.gz SISGZIGYACXTBV-FGZHOGPDSA-N 0 0 459.464 4.837 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)CCS1 ZINC001546117568 1067666103 /nfs/dbraw/zinc/66/61/03/1067666103.db2.gz JVXHWSVRERPUTG-NRFANRHFSA-N 0 0 460.692 4.841 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3C)s2)cc1 ZINC001460599650 1067666460 /nfs/dbraw/zinc/66/64/60/1067666460.db2.gz OVVNUIPLNDABSR-OAHLLOKOSA-N 0 0 454.548 4.826 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC001460601022 1067666918 /nfs/dbraw/zinc/66/69/18/1067666918.db2.gz AEJZGYJKBROPSB-OAQYLSRUSA-N 0 0 458.400 4.671 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1cccc(OC)c1 ZINC001460600970 1067667151 /nfs/dbraw/zinc/66/71/51/1067667151.db2.gz VZZCIASACDWUCC-XMMPIXPASA-N 0 0 454.910 4.744 20 0 JJADRN Cc1ccc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)c(Br)n1 ZINC001460601641 1067667464 /nfs/dbraw/zinc/66/74/64/1067667464.db2.gz AAHZRNOGYXNNEW-OKILXGFUSA-N 0 0 456.306 4.911 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)O[C@H]3CCc4cc(Br)cnc43)C2)c1 ZINC001460604671 1067668669 /nfs/dbraw/zinc/66/86/69/1067668669.db2.gz GQQUPWISMFURKL-PXNSSMCTSA-N 0 0 457.368 4.544 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001460607190 1067669694 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ZINC001460639604 1067681550 /nfs/dbraw/zinc/68/15/50/1067681550.db2.gz NARJYQJOYMQHNC-UHFFFAOYSA-N 0 0 451.479 4.848 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CN2CCO[C@H](c3ccc(OC)cc3)C2)c2cccs2)cc1 ZINC001460639068 1067681558 /nfs/dbraw/zinc/68/15/58/1067681558.db2.gz HVDCCDUUXALCCW-JYFHCDHNSA-N 0 0 450.604 4.598 20 0 JJADRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC001460638387 1067681614 /nfs/dbraw/zinc/68/16/14/1067681614.db2.gz PYKDNHUQYFPLQS-UHFFFAOYSA-N 0 0 459.396 4.968 20 0 JJADRN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 ZINC001460640542 1067682041 /nfs/dbraw/zinc/68/20/41/1067682041.db2.gz NOYRASJFGQWYOO-HNNXBMFYSA-N 0 0 455.045 4.591 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC001460641520 1067682809 /nfs/dbraw/zinc/68/28/09/1067682809.db2.gz GJLXMJZHUSCVSB-OAQYLSRUSA-N 0 0 451.592 4.779 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1 ZINC001460643746 1067683611 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JJADRN COc1ccc([C@@H]2CN(Cc3ccn(CCc4ccccc4)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651877 1067687859 /nfs/dbraw/zinc/68/78/59/1067687859.db2.gz PPFODBMQSIWOFX-IZZNHLLZSA-N 0 0 476.621 4.627 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001460654605 1067688813 /nfs/dbraw/zinc/68/88/13/1067688813.db2.gz NXYXOTYPIDKYSV-NRFANRHFSA-N 0 0 452.477 4.867 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCSCC1 ZINC001460654704 1067688858 /nfs/dbraw/zinc/68/88/58/1067688858.db2.gz PGIYSGJBGVOIPP-UHFFFAOYSA-N 0 0 455.502 4.685 20 0 JJADRN CCOc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)ccc1OCC(=O)N1CCCCC1 ZINC001460654843 1067689399 /nfs/dbraw/zinc/68/93/99/1067689399.db2.gz WIFKAXNTOMQWMN-QHCPKHFHSA-N 0 0 456.608 4.761 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460657550 1067690820 /nfs/dbraw/zinc/69/08/20/1067690820.db2.gz ZNCTZQSSTPPTJM-REZBVGGZSA-N 0 0 453.377 4.885 20 0 JJADRN Cc1ccc(N2C(=O)C[C@@H](C(=O)N(C)CC(F)(F)Br)[C@@H]2c2cccs2)cc1 ZINC001460657387 1067690850 /nfs/dbraw/zinc/69/08/50/1067690850.db2.gz TVKSUQTUFHNZQY-RHSMWYFYSA-N 0 0 457.340 4.597 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(Cc2nc(Cc3ccc(F)cc3)no2)C1 ZINC001460659735 1067691468 /nfs/dbraw/zinc/69/14/68/1067691468.db2.gz GMVUGUKLCKVGFY-SFHVURJKSA-N 0 0 452.530 4.503 20 0 JJADRN COc1cccc(S(=O)(=O)CCN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660030 1067691491 /nfs/dbraw/zinc/69/14/91/1067691491.db2.gz MOQDPUGJTIXRDO-JOCHJYFZSA-N 0 0 451.588 4.968 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460659296 1067691516 /nfs/dbraw/zinc/69/15/16/1067691516.db2.gz DDFAOBVBRUSYBU-QGZVFWFLSA-N 0 0 454.386 4.812 20 0 JJADRN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN[C@@H](CF)c1ccc(F)cc1 ZINC001460659600 1067691522 /nfs/dbraw/zinc/69/15/22/1067691522.db2.gz RHMXANWITVLRIN-KOSHJBKYSA-N 0 0 451.517 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C3SCCCS3)cc2)[C@H](C(F)F)C1 ZINC001460664423 1067693062 /nfs/dbraw/zinc/69/30/62/1067693062.db2.gz IKJYDJZVSNJHOW-INIZCTEOSA-N 0 0 458.596 4.882 20 0 JJADRN C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460666667 1067693488 /nfs/dbraw/zinc/69/34/88/1067693488.db2.gz SBPDIQKSOJVOBZ-DZGCQCFKSA-N 0 0 451.311 4.900 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F ZINC001460666621 1067693640 /nfs/dbraw/zinc/69/36/40/1067693640.db2.gz RULXCDLZMNUJQK-MLGOLLRUSA-N 0 0 451.341 4.885 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccc2ccccc2c1 ZINC001460666222 1067693653 /nfs/dbraw/zinc/69/36/53/1067693653.db2.gz HGMMUKHHQKXWJV-DEOSSOPVSA-N 0 0 458.489 4.987 20 0 JJADRN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670264 1067694622 /nfs/dbraw/zinc/69/46/22/1067694622.db2.gz LSNZAUSTCJDOSZ-QUCCMNQESA-N 0 0 455.624 4.755 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C(F)F)N1CCOc2c(Cl)cc(Br)cc21 ZINC001460671993 1067695623 /nfs/dbraw/zinc/69/56/23/1067695623.db2.gz CRKYOBXZZRQSCM-UHFFFAOYSA-N 0 0 456.621 4.600 20 0 JJADRN COc1ncc(Br)cc1CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001460673024 1067695947 /nfs/dbraw/zinc/69/59/47/1067695947.db2.gz ADMDRXBSSXASPM-OAQYLSRUSA-N 0 0 456.425 4.616 20 0 JJADRN COc1cc(Br)ccc1OC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC001460675222 1067697121 /nfs/dbraw/zinc/69/71/21/1067697121.db2.gz VIMZJQWYARNWQN-UHFFFAOYSA-N 0 0 452.308 4.934 20 0 JJADRN CC[C@]1(CNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460676992 1067697610 /nfs/dbraw/zinc/69/76/10/1067697610.db2.gz VYDKGJLUIGLZRR-OIDZTUHNSA-N 0 0 456.627 4.797 20 0 JJADRN CC[C@]1(CNC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)OCCc2ccccc21 ZINC001460676995 1067697638 /nfs/dbraw/zinc/69/76/38/1067697638.db2.gz VYDKGJLUIGLZRR-XPTSWKMJSA-N 0 0 456.627 4.797 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CCC3)n2Cc2cccnc2OCC(F)F)CCS1 ZINC001546117785 1067697657 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RPLCNRQHEFBCKZ-HXUWFJFHSA-N 0 0 454.455 4.923 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(Cl)c1 ZINC001460858541 1067736032 /nfs/dbraw/zinc/73/60/32/1067736032.db2.gz BMQMZIQQWDOIJF-XMMPIXPASA-N 0 0 456.926 4.937 20 0 JJADRN CCC1(CC)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)CCS1 ZINC001546119638 1067736278 /nfs/dbraw/zinc/73/62/78/1067736278.db2.gz KJLCLPHYMRFOQH-UHFFFAOYSA-N 0 0 479.090 4.888 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OC)c2)CCS1 ZINC001546119698 1067737131 /nfs/dbraw/zinc/73/71/31/1067737131.db2.gz MTXZWFRXNOVZAC-UHFFFAOYSA-N 0 0 457.669 4.803 20 0 JJADRN CCOC(=O)Cc1cnc(N(C)C(=O)COc2ccc(Cl)cc2C2CCCCC2)s1 ZINC001460864034 1067737152 /nfs/dbraw/zinc/73/71/52/1067737152.db2.gz JCNWEFJDAOHECT-UHFFFAOYSA-N 0 0 450.988 4.992 20 0 JJADRN Cc1c(C(=O)N2CCCc3c(Br)c(F)cc(F)c32)cnn1-c1ccc(F)cc1 ZINC001460867826 1067738062 /nfs/dbraw/zinc/73/80/62/1067738062.db2.gz RCZHEPNDNJSDHY-UHFFFAOYSA-N 0 0 450.258 4.954 20 0 JJADRN Cc1cccc([C@H](NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)C(=O)OC(C)(C)C)c1 ZINC001460869679 1067738731 /nfs/dbraw/zinc/73/87/31/1067738731.db2.gz IJHYQWUIKDWXEK-DEOSSOPVSA-N 0 0 454.586 4.735 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCc2cc(Br)c(F)cc2C1 ZINC001460879297 1067740867 /nfs/dbraw/zinc/74/08/67/1067740867.db2.gz WFLZMDHZFYWEAQ-SNVBAGLBSA-N 0 0 452.324 4.722 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3csc(C)n3)n2CC(F)(F)Br)CCS1 ZINC001546119797 1067741294 /nfs/dbraw/zinc/74/12/94/1067741294.db2.gz QIYOSUZPXMOMLK-UHFFFAOYSA-N 0 0 480.448 4.734 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@@H](c2ccccc2)C1 ZINC001460883687 1067741902 /nfs/dbraw/zinc/74/19/02/1067741902.db2.gz VKOBCLPOPRTVLG-JCGIZDLHSA-N 0 0 450.398 4.555 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC001460885735 1067742683 /nfs/dbraw/zinc/74/26/83/1067742683.db2.gz CNNQIPRUSUFQHW-JOCHJYFZSA-N 0 0 458.436 4.940 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CCS1 ZINC001546119880 1067743162 /nfs/dbraw/zinc/74/31/62/1067743162.db2.gz TVWMQAZDHUIWTG-FQRUVTKNSA-N 0 0 472.699 4.735 20 0 JJADRN CN(C(=O)C1(c2cc(Cl)cc(Br)c2)CC1)C1CCN(CC(F)(F)F)CC1 ZINC001460887561 1067743444 /nfs/dbraw/zinc/74/34/44/1067743444.db2.gz RELCUMHDXPZTNQ-UHFFFAOYSA-N 0 0 453.730 4.619 20 0 JJADRN C[C@@H]1CN(C(=O)COc2ccc3ccccc3c2Br)CCN1Cc1ccccc1 ZINC001460891883 1067744354 /nfs/dbraw/zinc/74/43/54/1067744354.db2.gz SOYZEVPSYNCCAK-GOSISDBHSA-N 0 0 453.380 4.714 20 0 JJADRN Cc1ccc(N(C)C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)c(F)c1 ZINC001460893227 1067744794 /nfs/dbraw/zinc/74/47/94/1067744794.db2.gz DKPJXNMMTYNJBK-UHFFFAOYSA-N 0 0 457.225 4.773 20 0 JJADRN CO[C@](C)([C@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1 ZINC001460896212 1067745125 /nfs/dbraw/zinc/74/51/25/1067745125.db2.gz AVXZJCCURJCJCF-NPMXOYFQSA-N 0 0 459.384 4.564 20 0 JJADRN C[C@](CO)(c1ccc(Br)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001460894372 1067745165 /nfs/dbraw/zinc/74/51/65/1067745165.db2.gz LFOKGTRPHFABBL-FQEVSTJZSA-N 0 0 458.227 4.781 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)N(C(=O)OCc2ccccc2)C1 ZINC001460894187 1067745193 /nfs/dbraw/zinc/74/51/93/1067745193.db2.gz FIDWMEBKKJXCOU-MLDBQTBOSA-N 0 0 456.970 4.518 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1c(F)cc(I)cc1F ZINC001460899910 1067745875 /nfs/dbraw/zinc/74/58/75/1067745875.db2.gz VYPRDYDZHTUMMA-PVXIVEMSSA-N 0 0 451.295 4.985 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001460904672 1067745922 /nfs/dbraw/zinc/74/59/22/1067745922.db2.gz ISZUFLDBVCPHEU-DYVFJYSZSA-N 0 0 457.384 4.671 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C[C@H]1c1ccccc1 ZINC001460916297 1067747736 /nfs/dbraw/zinc/74/77/36/1067747736.db2.gz MXIMWWKJYCMMAI-MIZPHKNDSA-N 0 0 450.991 4.901 20 0 JJADRN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460926881 1067749490 /nfs/dbraw/zinc/74/94/90/1067749490.db2.gz VXVDZQDAWLRKKP-INIZCTEOSA-N 0 0 456.427 4.792 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1(c2ccccc2Br)CCCCC1 ZINC001460925637 1067749642 /nfs/dbraw/zinc/74/96/42/1067749642.db2.gz WRNXXAGNNYGSNK-FQEVSTJZSA-N 0 0 459.359 4.712 20 0 JJADRN COc1ccc([C@@H]2CCCN2CCOc2c(Br)cccc2Br)nc1 ZINC001460929312 1067749913 /nfs/dbraw/zinc/74/99/13/1067749913.db2.gz JFNASZZMZCWBGL-KRWDZBQOSA-N 0 0 456.178 4.831 20 0 JJADRN COc1ccccc1N1CCCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001460931565 1067750479 /nfs/dbraw/zinc/75/04/79/1067750479.db2.gz RPEULUUTLSYTIG-OAHLLOKOSA-N 0 0 455.908 4.907 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001460940616 1067751222 /nfs/dbraw/zinc/75/12/22/1067751222.db2.gz WXCRKGHCCYJCSK-WOJBJXKFSA-N 0 0 451.007 4.912 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCc2nc3cc(Cl)ccc3s2)c1 ZINC001460941216 1067751572 /nfs/dbraw/zinc/75/15/72/1067751572.db2.gz YZQYPYVTGQTUIX-UHFFFAOYSA-N 0 0 457.404 4.646 20 0 JJADRN CCCc1nc(C(=O)N[C@@H](c2ccco2)c2ccc(OC)cc2)nn1-c1ccccc1Cl ZINC001460942416 1067751595 /nfs/dbraw/zinc/75/15/95/1067751595.db2.gz BZBKKUQEUGRYGN-JOCHJYFZSA-N 0 0 450.926 4.994 20 0 JJADRN COCC[C@@H]1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c2ccccc21 ZINC001460950524 1067752312 /nfs/dbraw/zinc/75/23/12/1067752312.db2.gz KIVFNSLWCZPBJT-AWEZNQCLSA-N 0 0 451.880 4.865 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001460949496 1067752440 /nfs/dbraw/zinc/75/24/40/1067752440.db2.gz FAOOXSZPEBFIHB-YADHBBJMSA-N 0 0 465.347 4.744 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2scc(C)c2I)c2ccco2)cc1 ZINC001460950646 1067752802 /nfs/dbraw/zinc/75/28/02/1067752802.db2.gz VHQWUOISCKUCHC-MRXNPFEDSA-N 0 0 453.301 4.782 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)cc1 ZINC001460951399 1067752814 /nfs/dbraw/zinc/75/28/14/1067752814.db2.gz WLBOZTZUJMHWQE-UHFFFAOYSA-N 0 0 456.427 4.893 20 0 JJADRN CN(C)c1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)cc1C(F)(F)F ZINC001460951698 1067752834 /nfs/dbraw/zinc/75/28/34/1067752834.db2.gz XDWYEAQGXPGVBL-UHFFFAOYSA-N 0 0 459.188 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(Cc1ncc(Br)cc1F)CC2 ZINC001460978986 1067755991 /nfs/dbraw/zinc/75/59/91/1067755991.db2.gz LFQBTVHZXMDFCM-HNNXBMFYSA-N 0 0 456.400 4.890 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1csnn1 ZINC001460980217 1067756400 /nfs/dbraw/zinc/75/64/00/1067756400.db2.gz VDWHHMYXWCLKLP-CYBMUJFWSA-N 0 0 454.353 4.644 20 0 JJADRN Cc1cc(C)c(CCNC(=O)CN2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)c(C)c1 ZINC001460981097 1067756483 /nfs/dbraw/zinc/75/64/83/1067756483.db2.gz QMFLNPKGOBIKJX-UHFFFAOYSA-N 0 0 451.611 4.676 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC001460988156 1067758136 /nfs/dbraw/zinc/75/81/36/1067758136.db2.gz USXZBJOKMBNUQI-WOJBJXKFSA-N 0 0 457.659 4.853 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)c3cn(C(C)C)nn3)cc12 ZINC001460992264 1067758974 /nfs/dbraw/zinc/75/89/74/1067758974.db2.gz IMGATDCQSASCTL-UHFFFAOYSA-N 0 0 457.003 4.945 20 0 JJADRN Cc1cc(C)c(COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(OCc2ccccc2)n1 ZINC001460995390 1067759252 /nfs/dbraw/zinc/75/92/52/1067759252.db2.gz JSLAGXQMKUVKIG-QHCPKHFHSA-N 0 0 458.558 4.991 20 0 JJADRN COc1ccc(N(CC(C)C)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001460993602 1067759281 /nfs/dbraw/zinc/75/92/81/1067759281.db2.gz QPZNUFROBCZZAG-KRWDZBQOSA-N 0 0 459.384 4.808 20 0 JJADRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(F)c1 ZINC001460999815 1067760176 /nfs/dbraw/zinc/76/01/76/1067760176.db2.gz LAYKCMYJWOOAOC-UHFFFAOYSA-N 0 0 452.511 4.855 20 0 JJADRN CC[C@@H](NC(=O)c1c(I)ccc(Br)c1F)[C@H]1CC1(C)C ZINC001461012706 1067761976 /nfs/dbraw/zinc/76/19/76/1067761976.db2.gz YYUPSYYVQSXAIA-LDYMZIIASA-N 0 0 454.121 4.747 20 0 JJADRN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001461022414 1067763396 /nfs/dbraw/zinc/76/33/96/1067763396.db2.gz JURPXCRXOREMBC-WMLDXEAASA-N 0 0 450.760 4.869 20 0 JJADRN Cn1ccnc1[C@@H](NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1F ZINC001461023227 1067763635 /nfs/dbraw/zinc/76/36/35/1067763635.db2.gz NPUNJHOXKJBHIN-NRFANRHFSA-N 0 0 456.587 4.793 20 0 JJADRN CCCCCCn1nc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c2ccccc2c1=O ZINC001461025013 1067764044 /nfs/dbraw/zinc/76/40/44/1067764044.db2.gz LLKWZHSKTFVPLI-MOPGFXCFSA-N 0 0 455.599 4.559 20 0 JJADRN Cn1ccnc1[C@H](NCc1cccc(F)c1I)c1ccc(Cl)cc1 ZINC001461025607 1067764440 /nfs/dbraw/zinc/76/44/40/1067764440.db2.gz JGPXNLIHBLLWHA-QGZVFWFLSA-N 0 0 455.702 4.696 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001461028707 1067765133 /nfs/dbraw/zinc/76/51/33/1067765133.db2.gz RPYTVXCICAMFCH-HOCLYGCPSA-N 0 0 451.489 4.782 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001461029596 1067765596 /nfs/dbraw/zinc/76/55/96/1067765596.db2.gz HIEDXGXRNNDCPX-UHFFFAOYSA-N 0 0 451.935 4.966 20 0 JJADRN COc1ccc(-n2cc(C(=O)NC3(c4cccc(Br)c4)CCCCC3)nn2)cc1 ZINC001461031921 1067765924 /nfs/dbraw/zinc/76/59/24/1067765924.db2.gz WBLWZOOQQLSFMW-UHFFFAOYSA-N 0 0 455.356 4.628 20 0 JJADRN COc1ccc(C(=O)C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1Cl ZINC001461035840 1067766710 /nfs/dbraw/zinc/76/67/10/1067766710.db2.gz GLBKIVJWAODCJC-QGZVFWFLSA-N 0 0 450.760 4.918 20 0 JJADRN Fc1cc(Br)c(I)cc1CN[C@@H]1CCCc2occc21 ZINC001461037453 1067767239 /nfs/dbraw/zinc/76/72/39/1067767239.db2.gz SKNGHVFQTIXMDM-CQSZACIVSA-N 0 0 450.089 4.953 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)s2)cc1 ZINC001461040696 1067768022 /nfs/dbraw/zinc/76/80/22/1067768022.db2.gz RTRVBBLQECNPIA-UHFFFAOYSA-N 0 0 453.564 4.910 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]3C)o2)cc1 ZINC001461042382 1067768246 /nfs/dbraw/zinc/76/82/46/1067768246.db2.gz QQVVNRSXYZPXJW-DYXWJJEUSA-N 0 0 455.599 4.980 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccc(I)cc1F ZINC001461042419 1067768358 /nfs/dbraw/zinc/76/83/58/1067768358.db2.gz QSOLKDZLYHUWID-CQSZACIVSA-N 0 0 453.295 4.914 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461042338 1067768383 /nfs/dbraw/zinc/76/83/83/1067768383.db2.gz QOYFKBADVAGFLQ-JXXFODFXSA-N 0 0 454.571 4.625 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C/C=C\c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461049072 1067769251 /nfs/dbraw/zinc/76/92/51/1067769251.db2.gz KECVFZVYXMMMBZ-TUFZTROESA-N 0 0 464.306 4.546 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001461049033 1067769333 /nfs/dbraw/zinc/76/93/33/1067769333.db2.gz JKCAFTILUQQUAA-FCHUYYIVSA-N 0 0 455.432 4.925 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001461051799 1067770371 /nfs/dbraw/zinc/77/03/71/1067770371.db2.gz UDDMYBAZDAOQSP-YDZRNGNQSA-N 0 0 454.300 4.790 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)C[C@H]1c1ccc(F)cc1F ZINC001461052808 1067770689 /nfs/dbraw/zinc/77/06/89/1067770689.db2.gz VEROUZICXGDKLS-DQEVTTJGSA-N 0 0 451.872 4.666 20 0 JJADRN O=C(CCCc1ccccc1)NCCNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001461057729 1067771675 /nfs/dbraw/zinc/77/16/75/1067771675.db2.gz WOSDRZYIOINFNB-UHFFFAOYSA-N 0 0 457.412 4.516 20 0 JJADRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC001461059361 1067772089 /nfs/dbraw/zinc/77/20/89/1067772089.db2.gz JBQIDASECORDQV-JGCGQSQUSA-N 0 0 450.516 4.780 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461058996 1067772098 /nfs/dbraw/zinc/77/20/98/1067772098.db2.gz OQWYWIZNLOCAMS-LDJQZATESA-N 0 0 456.410 4.870 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Oc3cc([S@@](C)=O)c(C)cc3OC)CC2(Cl)Cl)cc1 ZINC001461060716 1067772876 /nfs/dbraw/zinc/77/28/76/1067772876.db2.gz MPLKEHZABROBCI-ACSYHNTCSA-N 0 0 457.375 4.561 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)OC(C)(C)C)cc2)c1 ZINC001461061468 1067773143 /nfs/dbraw/zinc/77/31/43/1067773143.db2.gz WJHSIFJPWGKNJN-XXBNENTESA-N 0 0 450.579 4.507 20 0 JJADRN CCC1(CC)CN(c2nnc(CSc3ccc(C)cc3)n2CCc2cn[nH]c2)CCS1 ZINC001546121216 1067773227 /nfs/dbraw/zinc/77/32/27/1067773227.db2.gz PEBXSQFFOQHKKS-UHFFFAOYSA-N 0 0 456.685 4.957 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC=CO2)CCS1 ZINC001546121227 1067773471 /nfs/dbraw/zinc/77/34/71/1067773471.db2.gz PRZXNQJXZHZVQY-ZCNNSNEGSA-N 0 0 491.702 4.854 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2F)CCS1 ZINC001546121225 1067773584 /nfs/dbraw/zinc/77/35/84/1067773584.db2.gz PQBATWFASBUTOD-FPOVZHCZSA-N 0 0 462.635 4.610 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001461065661 1067774768 /nfs/dbraw/zinc/77/47/68/1067774768.db2.gz JZUQUDHNNAJUMF-OAHLLOKOSA-N 0 0 457.695 4.755 20 0 JJADRN CCC1(CC)CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnnn2C)CCS1 ZINC001546121323 1067775763 /nfs/dbraw/zinc/77/57/63/1067775763.db2.gz TWDWFOSLINAGAI-UHFFFAOYSA-N 0 0 478.091 4.513 20 0 JJADRN Cc1ccc2c(C(=O)OCc3ncsc3Br)cc(-c3cnn(C)c3)nc2c1C ZINC001461071223 1067776008 /nfs/dbraw/zinc/77/60/08/1067776008.db2.gz FMZXSRCYNDTECW-UHFFFAOYSA-N 0 0 457.353 4.828 20 0 JJADRN CCCOc1ccc(CCC(=O)NCc2cc(Cl)cc(I)c2)cc1 ZINC001461074143 1067776493 /nfs/dbraw/zinc/77/64/93/1067776493.db2.gz AJMXKJMNNOCYPE-UHFFFAOYSA-N 0 0 457.739 4.982 20 0 JJADRN COCC(=O)Nc1ccc(NCc2cc(Br)ccc2OCc2ccccn2)cc1 ZINC001461075802 1067776676 /nfs/dbraw/zinc/77/66/76/1067776676.db2.gz MPSGPRSBRIIAHN-UHFFFAOYSA-N 0 0 456.340 4.620 20 0 JJADRN O=C(Nc1cccc(CNc2ccc(N3CCCS3(=O)=O)cc2)c1)c1ccccc1Cl ZINC001461076480 1067777000 /nfs/dbraw/zinc/77/70/00/1067777000.db2.gz VBDHDOMSJGQVGA-UHFFFAOYSA-N 0 0 455.967 4.744 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NCc2cc(Cl)cc(I)c2)c1C1CC1 ZINC001461076249 1067777055 /nfs/dbraw/zinc/77/70/55/1067777055.db2.gz OXPPLZWGUQLORG-LLVKDONJSA-N 0 0 457.743 4.920 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCc1cccc(C(F)(F)F)c1 ZINC001461078287 1067777304 /nfs/dbraw/zinc/77/73/04/1067777304.db2.gz GFYMPAHUQMHEAA-MRXNPFEDSA-N 0 0 455.498 4.934 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC001461078236 1067777310 /nfs/dbraw/zinc/77/73/10/1067777310.db2.gz VUUPWYBDXBDPBL-HNNXBMFYSA-N 0 0 451.350 4.855 20 0 JJADRN COc1ccc2nc(C)c(C(=O)NCc3c(F)c(F)c(Br)c(F)c3F)cc2c1 ZINC001461080708 1067777721 /nfs/dbraw/zinc/77/77/21/1067777721.db2.gz YQRCQMVGTYZBNU-UHFFFAOYSA-N 0 0 457.221 4.801 20 0 JJADRN Cc1c(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cn2)ccn1Cc1ccccc1 ZINC001461083395 1067778020 /nfs/dbraw/zinc/77/80/20/1067778020.db2.gz BOUDIJFVBQWAOS-FQEVSTJZSA-N 0 0 454.368 4.828 20 0 JJADRN Cc1c(Br)ccnc1NC(=O)c1ccc(I)cc1Cl ZINC001461082543 1067778041 /nfs/dbraw/zinc/77/80/41/1067778041.db2.gz QUZLSIOFLJWTCH-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN O=C(c1ncccc1C(F)(F)F)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461085967 1067778680 /nfs/dbraw/zinc/77/86/80/1067778680.db2.gz LOUAXHNYDJGQJF-UHFFFAOYSA-N 0 0 451.246 4.542 20 0 JJADRN CCN(Cc1ccccc1NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)C(C)=O ZINC001461086764 1067779089 /nfs/dbraw/zinc/77/90/89/1067779089.db2.gz XWVXITQLCIBQDR-OAQYLSRUSA-N 0 0 455.599 4.818 20 0 JJADRN O=C(c1cc(F)cc2cccnc21)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461086970 1067779147 /nfs/dbraw/zinc/77/91/47/1067779147.db2.gz OREJAGSDXVIDFI-UHFFFAOYSA-N 0 0 451.299 4.816 20 0 JJADRN CCN(C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc(C(F)(F)F)c1 ZINC001461087176 1067779161 /nfs/dbraw/zinc/77/91/61/1067779161.db2.gz CEJTUXJHIUSPOT-WIYYLYMNSA-N 0 0 452.473 4.788 20 0 JJADRN O=C1C[C@H](NCc2cccc(O)c2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461096285 1067781320 /nfs/dbraw/zinc/78/13/20/1067781320.db2.gz PMVUJPNVVFLTNZ-KRWDZBQOSA-N 0 0 453.336 4.842 20 0 JJADRN CNS(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC001461101018 1067781976 /nfs/dbraw/zinc/78/19/76/1067781976.db2.gz OEOUTENDQMZPNN-GFCCVEGCSA-N 0 0 456.420 4.876 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461100699 1067782020 /nfs/dbraw/zinc/78/20/20/1067782020.db2.gz OVWHWCIDRGYFRY-UHFFFAOYSA-N 0 0 451.336 4.851 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1C ZINC001461102147 1067782395 /nfs/dbraw/zinc/78/23/95/1067782395.db2.gz YRTCCWMESVBXLN-QFIPXVFZSA-N 0 0 450.539 4.702 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(Cc2c(C)cccc2C)CC(C)C)cc1 ZINC001461105132 1067782821 /nfs/dbraw/zinc/78/28/21/1067782821.db2.gz MNJAPAGQNHEUDI-UHFFFAOYSA-N 0 0 452.624 4.978 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)NC2(c3cc(Br)ccc3OC)CC2)c1 ZINC001461107339 1067783106 /nfs/dbraw/zinc/78/31/06/1067783106.db2.gz KCAICJJUCJHWFC-UHFFFAOYSA-N 0 0 451.292 4.584 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001461108944 1067783386 /nfs/dbraw/zinc/78/33/86/1067783386.db2.gz XAQJORGYBXTZKM-FQEVSTJZSA-N 0 0 454.615 4.938 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC001461107989 1067783473 /nfs/dbraw/zinc/78/34/73/1067783473.db2.gz OEIGCYNLEHEBDU-UHFFFAOYSA-N 0 0 456.312 4.763 20 0 JJADRN COc1cc(CNc2cccc(C(=O)N3CCOCC3)c2C)ccc1OCc1cccs1 ZINC001461110079 1067783825 /nfs/dbraw/zinc/78/38/25/1067783825.db2.gz LRKOLNJUQHTRHG-UHFFFAOYSA-N 0 0 452.576 4.729 20 0 JJADRN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc(N2CCNC2=O)ccc1Cl ZINC001461116485 1067784499 /nfs/dbraw/zinc/78/44/99/1067784499.db2.gz UFDNNPCXJZJFCO-QGZVFWFLSA-N 0 0 454.811 4.523 20 0 JJADRN Cc1nc(-c2cc(NC(=O)[C@H](c3c(F)cccc3Cl)N(C)C)cc(C(F)(F)F)c2)n[nH]1 ZINC001461122487 1067785701 /nfs/dbraw/zinc/78/57/01/1067785701.db2.gz YNMXLUBCSUOQMD-KRWDZBQOSA-N 0 0 455.843 4.833 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c(Cl)c1 ZINC001461122328 1067785707 /nfs/dbraw/zinc/78/57/07/1067785707.db2.gz KKZLKIWJUGFNJV-ILXRZTDVSA-N 0 0 453.967 4.767 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]3C)c2)cs1 ZINC001461125116 1067786440 /nfs/dbraw/zinc/78/64/40/1067786440.db2.gz PZNGXJRHIDBUNG-ZACQAIPSSA-N 0 0 459.612 4.889 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1 ZINC001461125524 1067786489 /nfs/dbraw/zinc/78/64/89/1067786489.db2.gz MVTBKWUANSVYAN-NZQKXSOJSA-N 0 0 454.979 4.759 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)CSc1ccccc1Br ZINC001461127894 1067786696 /nfs/dbraw/zinc/78/66/96/1067786696.db2.gz VGLFYORCHXPJAH-RBSFLKMASA-N 0 0 457.434 4.786 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)CSc2ccccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001461127898 1067786706 /nfs/dbraw/zinc/78/67/06/1067786706.db2.gz VGLFYORCHXPJAH-ZNMIVQPWSA-N 0 0 457.434 4.786 20 0 JJADRN Cn1nnc2cc(NC(=O)c3cc(Cl)nc(Oc4ccc(Br)cc4)c3)ccc21 ZINC001461136871 1067787793 /nfs/dbraw/zinc/78/77/93/1067787793.db2.gz PJWGZABVLCEKAJ-UHFFFAOYSA-N 0 0 458.703 4.824 20 0 JJADRN CCc1nc2ccc(NC(=O)c3cnn(C(C)(C)C)c3I)cc2s1 ZINC001461147671 1067789088 /nfs/dbraw/zinc/78/90/88/1067789088.db2.gz GIWCHBQDWHSMJJ-UHFFFAOYSA-N 0 0 454.337 4.667 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461149131 1067789359 /nfs/dbraw/zinc/78/93/59/1067789359.db2.gz LJGGWGZAEOEPCZ-AWEZNQCLSA-N 0 0 450.808 4.743 20 0 JJADRN CC[C@H](C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461149133 1067789568 /nfs/dbraw/zinc/78/95/68/1067789568.db2.gz LJGGWGZAEOEPCZ-CQSZACIVSA-N 0 0 450.808 4.743 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CC[C@@H](OC(C)C)C3)c3ccccc3n2)cc(OC)c1OC ZINC001461151507 1067789871 /nfs/dbraw/zinc/78/98/71/1067789871.db2.gz QYLHKWKTYXORMB-GOSISDBHSA-N 0 0 450.535 4.567 20 0 JJADRN O=C1CCCN1Cc1cccc(CNCc2cc(Br)sc2Br)c1 ZINC001461153697 1067790267 /nfs/dbraw/zinc/79/02/67/1067790267.db2.gz CJBJRTWNPCSUEZ-UHFFFAOYSA-N 0 0 458.219 4.685 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(=O)OC ZINC001461159374 1067790936 /nfs/dbraw/zinc/79/09/36/1067790936.db2.gz FBVAGGZBIYYWHP-BZNIZROVSA-N 0 0 453.402 4.897 20 0 JJADRN CC(C)(C)N1CC[C@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC001461158462 1067790977 /nfs/dbraw/zinc/79/09/77/1067790977.db2.gz BTLPOTHBRRULCF-QFIPXVFZSA-N 0 0 451.998 4.791 20 0 JJADRN CC[C@@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)NCc1cccs1 ZINC001461159863 1067791345 /nfs/dbraw/zinc/79/13/45/1067791345.db2.gz YROLAKSVYJJLQB-OAHLLOKOSA-N 0 0 452.502 4.522 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001461168555 1067792055 /nfs/dbraw/zinc/79/20/55/1067792055.db2.gz BOIPWWSSSZLROO-UHFFFAOYSA-N 0 0 459.974 4.786 20 0 JJADRN Cc1ccc(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)c(Sc2ccc(Cl)cc2)c1 ZINC001461173303 1067792745 /nfs/dbraw/zinc/79/27/45/1067792745.db2.gz KACVDBLCTPKXNG-UHFFFAOYSA-N 0 0 458.971 4.985 20 0 JJADRN Cc1csc(C(=O)OCc2ccc(-c3ccc(C)nn3)cc2)c1I ZINC001461174267 1067793161 /nfs/dbraw/zinc/79/31/61/1067793161.db2.gz MJTMOCHQBVRDAM-UHFFFAOYSA-N 0 0 450.301 4.784 20 0 JJADRN FC(F)(F)c1ccccc1OCCNCc1c(Br)cncc1Br ZINC001461179860 1067793739 /nfs/dbraw/zinc/79/37/39/1067793739.db2.gz NNNCNNTWPOAECY-UHFFFAOYSA-N 0 0 454.084 4.794 20 0 JJADRN COc1cc(CNCc2cc(Br)cnc2Cl)cc(Br)c1OC ZINC001461182221 1067794106 /nfs/dbraw/zinc/79/41/06/1067794106.db2.gz UQEKNQZGKURTSF-UHFFFAOYSA-N 0 0 450.558 4.567 20 0 JJADRN COC(=O)[C@@]1(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)C[C@H]1c1ccccc1 ZINC001461182777 1067794241 /nfs/dbraw/zinc/79/42/41/1067794241.db2.gz CBKCSLKFKVQMNC-QKKBWIMNSA-N 0 0 459.727 4.936 20 0 JJADRN C[C@@]1(C(=O)Nc2cccc(Br)c2I)CCc2ccccc21 ZINC001461186204 1067795047 /nfs/dbraw/zinc/79/50/47/1067795047.db2.gz PZTPUJJIBCOOCQ-QGZVFWFLSA-N 0 0 456.121 4.896 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1nc(-c2cccnc2Cl)ns1 ZINC001461187123 1067795235 /nfs/dbraw/zinc/79/52/35/1067795235.db2.gz KEHOMEGBELDKOA-VIFPVBQESA-N 0 0 455.740 4.972 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CCC1 ZINC001546122329 1067795301 /nfs/dbraw/zinc/79/53/01/1067795301.db2.gz GUGWORCZNKUTGG-LJQANCHMSA-N 0 0 492.590 4.800 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001546122337 1067795407 /nfs/dbraw/zinc/79/54/07/1067795407.db2.gz HIZJAMQKOSPKGS-FQEVSTJZSA-N 0 0 496.656 4.783 20 0 JJADRN C[C@H](NC(=O)c1ccc(F)c(I)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461189863 1067795945 /nfs/dbraw/zinc/79/59/45/1067795945.db2.gz FPJXRDKAJMTEMO-FPMFFAJLSA-N 0 0 475.342 4.553 20 0 JJADRN C[C@H](NC(=O)c1ccc(I)c(F)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461193234 1067796764 /nfs/dbraw/zinc/79/67/64/1067796764.db2.gz NVYYPXYBJXWAME-FPMFFAJLSA-N 0 0 475.342 4.553 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c(=O)[nH]1 ZINC001461194095 1067796779 /nfs/dbraw/zinc/79/67/79/1067796779.db2.gz RLSLDTZKKPOMPX-AYOQOUSVSA-N 0 0 454.567 4.585 20 0 JJADRN COc1cccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)sc21 ZINC001461201043 1067798181 /nfs/dbraw/zinc/79/81/81/1067798181.db2.gz HXKFKYQXZIRIRK-UHFFFAOYSA-N 0 0 459.593 4.510 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NCc1cc(Br)sc1Br ZINC001461203118 1067798584 /nfs/dbraw/zinc/79/85/84/1067798584.db2.gz FTBDRLDJGMNEFE-UHFFFAOYSA-N 0 0 453.221 4.738 20 0 JJADRN CC(C)n1cc(OC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)cn1 ZINC001461215357 1067801189 /nfs/dbraw/zinc/80/11/89/1067801189.db2.gz MTXZSMSGTOFRHN-UHFFFAOYSA-N 0 0 453.564 4.803 20 0 JJADRN Cc1c2cc(F)ccc2sc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 ZINC001461215539 1067801265 /nfs/dbraw/zinc/80/12/65/1067801265.db2.gz UMKJRZQDKJZOMG-UHFFFAOYSA-N 0 0 451.445 4.556 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001461217458 1067801747 /nfs/dbraw/zinc/80/17/47/1067801747.db2.gz HVKJHISSIZTGJY-UGSOOPFHSA-N 0 0 457.470 4.588 20 0 JJADRN CCNC(=O)Oc1cccc(OC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 ZINC001461217013 1067801819 /nfs/dbraw/zinc/80/18/19/1067801819.db2.gz UUCWPEFXXNXDNM-UHFFFAOYSA-N 0 0 451.475 4.610 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1F ZINC001461219720 1067802166 /nfs/dbraw/zinc/80/21/66/1067802166.db2.gz BLNFEUXMOUYAFS-UHFFFAOYSA-N 0 0 452.320 4.966 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001461222293 1067802988 /nfs/dbraw/zinc/80/29/88/1067802988.db2.gz DVYDOCIOERFBGE-DLBZAZTESA-N 0 0 459.329 4.986 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)C[C@H]1c1ccccc1 ZINC001461222388 1067803030 /nfs/dbraw/zinc/80/30/30/1067803030.db2.gz JPOWYDQIAGBKOD-FCHUYYIVSA-N 0 0 451.954 4.678 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C[C@H]1c1ccccc1 ZINC001461222157 1067803093 /nfs/dbraw/zinc/80/30/93/1067803093.db2.gz BTSQERSUCDRZGA-RBUKOAKNSA-N 0 0 458.942 4.716 20 0 JJADRN CSCC[C@H](C(=O)Nc1ccc(OCCC(C)C)c(F)c1)N1C(=O)c2ccccc2C1=O ZINC001461223635 1067803428 /nfs/dbraw/zinc/80/34/28/1067803428.db2.gz QLLRYQBRVPFTLS-HXUWFJFHSA-N 0 0 458.555 4.607 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)N1CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC1)CO2 ZINC001461225939 1067803928 /nfs/dbraw/zinc/80/39/28/1067803928.db2.gz UJJXHSDSXPSZBB-AWEZNQCLSA-N 0 0 455.769 4.555 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)NCC3(c4cccc(OC(F)(F)F)c4)CCC3)c2n1 ZINC001461227774 1067804457 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0 0 456.562 4.912 20 0 JJADRN Cc1c(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cnn1-c1ccc(F)cc1F ZINC001461247175 1067808824 /nfs/dbraw/zinc/80/88/24/1067808824.db2.gz QBBDGJRCIAOBLO-UHFFFAOYSA-N 0 0 459.518 4.574 20 0 JJADRN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461247479 1067809043 /nfs/dbraw/zinc/80/90/43/1067809043.db2.gz UYRBUUTZUJKJLW-MRXNPFEDSA-N 0 0 450.423 4.659 20 0 JJADRN CCc1ccc([C@@H](NCc2ccc(OC)c(OC)c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461250773 1067809791 /nfs/dbraw/zinc/80/97/91/1067809791.db2.gz AJNQYYSIOGGKQS-RUZDIDTESA-N 0 0 453.604 4.857 20 0 JJADRN CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3nc4c(s3)C(=O)NC(C)(C)C4)cn2)cc1 ZINC001461249818 1067809946 /nfs/dbraw/zinc/80/99/46/1067809946.db2.gz VRDTXURUPJBVFP-UHFFFAOYSA-N 0 0 450.564 4.945 20 0 JJADRN CCOC(=O)Cn1nc(C)cc1NC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001461252516 1067810268 /nfs/dbraw/zinc/81/02/68/1067810268.db2.gz FGESUCCUJCOSTP-UHFFFAOYSA-N 0 0 453.351 4.746 20 0 JJADRN Cc1ccc(N2CCC[C@H](NCc3cc(Cl)ccc3I)C2=O)cc1 ZINC001461251793 1067810436 /nfs/dbraw/zinc/81/04/36/1067810436.db2.gz NVNBSRRNMPIVQR-SFHVURJKSA-N 0 0 454.739 4.538 20 0 JJADRN COc1ccc([C@@H](NCc2cccc3c2OC(C)(C)C3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461254203 1067810909 /nfs/dbraw/zinc/81/09/09/1067810909.db2.gz HKPLTIBDGSCFBY-XMMPIXPASA-N 0 0 451.588 4.691 20 0 JJADRN Cc1c(C(=O)Nc2ncccc2C(=O)c2cccc(Cl)c2)nnn1-c1ccccc1Cl ZINC001461257699 1067811774 /nfs/dbraw/zinc/81/17/74/1067811774.db2.gz WXRBACKYMRJOJW-UHFFFAOYSA-N 0 0 452.301 4.761 20 0 JJADRN Cc1ccc([C@H](NCc2ccc3c(c2)OCCCCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461257177 1067811837 /nfs/dbraw/zinc/81/18/37/1067811837.db2.gz WKJHDOCELLGLBR-SANMLTNESA-N 0 0 451.588 4.829 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC001461261349 1067812941 /nfs/dbraw/zinc/81/29/41/1067812941.db2.gz INYPKINZTLPWMY-MAUKXSAKSA-N 0 0 454.398 4.694 20 0 JJADRN O=C(COc1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461262078 1067813019 /nfs/dbraw/zinc/81/30/19/1067813019.db2.gz KCSNAGNVISLVPH-FQEVSTJZSA-N 0 0 454.395 4.594 20 0 JJADRN O=C(CCCS(=O)(=O)c1cccc(Br)c1)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461273197 1067815782 /nfs/dbraw/zinc/81/57/82/1067815782.db2.gz PJZMHVBQMQWMEM-YPAWHYETSA-N 0 0 492.435 4.524 20 0 JJADRN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC001461277374 1067816510 /nfs/dbraw/zinc/81/65/10/1067816510.db2.gz MFMCAZARDCRQEB-LJQANCHMSA-N 0 0 454.398 4.917 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cnc(Br)c(C)c1 ZINC001546122987 1067816593 /nfs/dbraw/zinc/81/65/93/1067816593.db2.gz DOQHGAVRERARLA-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001461280691 1067817145 /nfs/dbraw/zinc/81/71/45/1067817145.db2.gz ADUGEMIJMYDLGS-LLGFUMIMSA-N 0 0 451.583 4.707 20 0 JJADRN CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001461284572 1067818114 /nfs/dbraw/zinc/81/81/14/1067818114.db2.gz AXFJDLAVCZSFFV-XOBRGWDASA-N 0 0 458.345 4.532 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001461284481 1067818154 /nfs/dbraw/zinc/81/81/54/1067818154.db2.gz AFMQKMBRLFDSKZ-KBPBESRZSA-N 0 0 453.370 4.697 20 0 JJADRN O=C1[C@@H](NCc2cc(C(F)(F)F)ccc2Br)CCN1CCCc1ccccc1 ZINC001461289635 1067819366 /nfs/dbraw/zinc/81/93/66/1067819366.db2.gz XPHJTGYKTTVALT-IBGZPJMESA-N 0 0 455.318 4.791 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001461290332 1067819460 /nfs/dbraw/zinc/81/94/60/1067819460.db2.gz PPYCOACDCWIAER-RDJZCZTQSA-N 0 0 451.995 4.964 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001461291027 1067819782 /nfs/dbraw/zinc/81/97/82/1067819782.db2.gz SWBMIEHGQIMOGW-MSYCTHLASA-N 0 0 450.579 4.925 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001461291463 1067819871 /nfs/dbraw/zinc/81/98/71/1067819871.db2.gz FCNVSEGPPOGWIA-UHFFFAOYSA-N 0 0 454.715 4.998 20 0 JJADRN Cc1cc(OCC(=O)N(C)c2nccc(-c3sccc3Br)n2)ccc1Cl ZINC001461292416 1067820162 /nfs/dbraw/zinc/82/01/62/1067820162.db2.gz TUNAZHVNGAMUOP-UHFFFAOYSA-N 0 0 452.761 4.971 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccnc(-c2cccc(Br)c2)n1 ZINC001461295172 1067820669 /nfs/dbraw/zinc/82/06/69/1067820669.db2.gz IKWCUAIGTVAREP-UHFFFAOYSA-N 0 0 456.325 4.589 20 0 JJADRN Cc1ccc(N(C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)C(C)C)cc1Br ZINC001461295190 1067820718 /nfs/dbraw/zinc/82/07/18/1067820718.db2.gz WDWQPUKERBLJSD-UHFFFAOYSA-N 0 0 453.327 4.928 20 0 JJADRN COc1cc(C(=O)Nc2nccc(Br)c2Cl)cc(Br)c1OC ZINC001461294467 1067820790 /nfs/dbraw/zinc/82/07/90/1067820790.db2.gz NRPQTUQGMKNMNL-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN CN(C)C(=O)COc1ccccc1CNc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001461296668 1067821165 /nfs/dbraw/zinc/82/11/65/1067821165.db2.gz HZRBJQWQIMDFLG-UHFFFAOYSA-N 0 0 450.379 4.726 20 0 JJADRN C/C=C/c1ccc(OCC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)c(OC)c1 ZINC001461297906 1067821465 /nfs/dbraw/zinc/82/14/65/1067821465.db2.gz UPLQZTHNHBJCGC-HWKANZROSA-N 0 0 454.324 4.965 20 0 JJADRN O=C(c1ccc2c(c1)OCCCO2)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461301044 1067822506 /nfs/dbraw/zinc/82/25/06/1067822506.db2.gz NNSNFIVDMPRPAV-UHFFFAOYSA-N 0 0 458.230 4.668 20 0 JJADRN COc1ccc(NCc2ccc(-c3cccc(Br)c3)o2)cc1NS(C)(=O)=O ZINC001461304304 1067823417 /nfs/dbraw/zinc/82/34/17/1067823417.db2.gz WBZIGEPWHKHUTC-UHFFFAOYSA-N 0 0 451.342 4.701 20 0 JJADRN CC[C@@]1(c2ccc(NCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)cc2)CCC(=O)NC1=O ZINC001461303975 1067823734 /nfs/dbraw/zinc/82/37/34/1067823734.db2.gz RUQGZTZWDYXIFC-QHCPKHFHSA-N 0 0 456.468 4.792 20 0 JJADRN COc1cc(OC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)ccc1F ZINC001461305827 1067823891 /nfs/dbraw/zinc/82/38/91/1067823891.db2.gz DHBGTEPYFZQKGX-UHFFFAOYSA-N 0 0 455.463 4.513 20 0 JJADRN COCCN(C(=O)/C=C(/C)c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461308219 1067825084 /nfs/dbraw/zinc/82/50/84/1067825084.db2.gz DFEMGXOCAVRKBW-ZZEZOPTASA-N 0 0 454.542 4.505 20 0 JJADRN COc1cc(CNc2cccc(N3CCOC3=O)c2C)cc(Br)c1OC(F)F ZINC001461316977 1067826815 /nfs/dbraw/zinc/82/68/15/1067826815.db2.gz VLBSRRQUXXIDTH-UHFFFAOYSA-N 0 0 457.271 4.936 20 0 JJADRN COc1cc(CNc2cc(F)cc(N3CCOCC3)c2)cc(OC)c1OCc1ccccc1 ZINC001461318187 1067827198 /nfs/dbraw/zinc/82/71/98/1067827198.db2.gz ZXSPZRNCUOINOQ-UHFFFAOYSA-N 0 0 452.526 4.871 20 0 JJADRN Cc1cc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)nn1-c1cccc(C(F)(F)F)c1 ZINC001461319263 1067827308 /nfs/dbraw/zinc/82/73/08/1067827308.db2.gz YNWATGXAXFGCEK-UHFFFAOYSA-N 0 0 457.861 4.509 20 0 JJADRN Cc1noc(COc2ccc(NCc3cn(-c4ccccc4Br)nc3C)cc2)n1 ZINC001461320232 1067827568 /nfs/dbraw/zinc/82/75/68/1067827568.db2.gz VZSYRKOHJFPNBL-UHFFFAOYSA-N 0 0 454.328 4.826 20 0 JJADRN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001461322169 1067827691 /nfs/dbraw/zinc/82/76/91/1067827691.db2.gz WBXKAGAJVYKVKP-RLWLMLJZSA-N 0 0 454.998 4.581 20 0 JJADRN Cc1cc(Br)c(CC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)s1 ZINC001461326003 1067829137 /nfs/dbraw/zinc/82/91/37/1067829137.db2.gz OBEKZMHRLHIKEV-NRFANRHFSA-N 0 0 452.414 4.777 20 0 JJADRN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)c1 ZINC001461327983 1067830080 /nfs/dbraw/zinc/83/00/80/1067830080.db2.gz AQOLBQFCKIAANV-YHYXMXQVSA-N 0 0 452.308 4.648 20 0 JJADRN COc1ccc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1OCc1cccnc1 ZINC001461331522 1067830530 /nfs/dbraw/zinc/83/05/30/1067830530.db2.gz HJHJPGHCBXKWTQ-UHFFFAOYSA-N 0 0 459.468 4.882 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461329651 1067830589 /nfs/dbraw/zinc/83/05/89/1067830589.db2.gz KWAKCLHZNDIWFA-BEFAXECRSA-N 0 0 453.421 4.842 20 0 JJADRN COCCn1ncc2ccc(NCc3c(C)nn(-c4ccc(Br)cc4)c3C)cc21 ZINC001461332682 1067830892 /nfs/dbraw/zinc/83/08/92/1067830892.db2.gz WRJXDHLRUDSVGE-UHFFFAOYSA-N 0 0 454.372 4.860 20 0 JJADRN COc1cc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)ccc1C(F)(F)F ZINC001461336411 1067831414 /nfs/dbraw/zinc/83/14/14/1067831414.db2.gz QKJJJZJOTRWUSS-UHFFFAOYSA-N 0 0 456.436 4.808 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001461336561 1067832013 /nfs/dbraw/zinc/83/20/13/1067832013.db2.gz TYPBNTLNANXILI-OAHLLOKOSA-N 0 0 455.308 4.822 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)[C@H]1c1cccnc1 ZINC001461337789 1067832476 /nfs/dbraw/zinc/83/24/76/1067832476.db2.gz XYZCTABHIPQQAL-RBBKRZOGSA-N 0 0 466.335 4.795 20 0 JJADRN CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21)[C@@H]1CCCOC1 ZINC001461338641 1067833092 /nfs/dbraw/zinc/83/30/92/1067833092.db2.gz RLMXBZBVKHJVCE-GOSISDBHSA-N 0 0 450.535 4.569 20 0 JJADRN CCCCN(C(=O)c1cccc(F)c1I)[C@@H]1CCc2ncsc2C1 ZINC001461344064 1067834970 /nfs/dbraw/zinc/83/49/70/1067834970.db2.gz FSBNCGISEOVKEW-GFCCVEGCSA-N 0 0 458.340 4.687 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001461347700 1067835407 /nfs/dbraw/zinc/83/54/07/1067835407.db2.gz VJBXTBJCLBAKEF-LJQANCHMSA-N 0 0 455.942 4.876 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001461348372 1067835854 /nfs/dbraw/zinc/83/58/54/1067835854.db2.gz NMUSKPRDWVGLDE-UHFFFAOYSA-N 0 0 456.373 4.724 20 0 JJADRN CC(C)O[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001461348883 1067835930 /nfs/dbraw/zinc/83/59/30/1067835930.db2.gz QERHKMUIVTXART-LJQANCHMSA-N 0 0 454.571 4.582 20 0 JJADRN CC(C)(C(=O)Nc1cc(C(F)F)ccc1F)S(=O)(=O)c1ccc(Br)cc1 ZINC001461351195 1067836333 /nfs/dbraw/zinc/83/63/33/1067836333.db2.gz DJGCUYPNNOVGEY-UHFFFAOYSA-N 0 0 450.276 4.717 20 0 JJADRN CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC001461353993 1067836763 /nfs/dbraw/zinc/83/67/63/1067836763.db2.gz JTLUULQEDFLPND-UHFFFAOYSA-N 0 0 454.592 4.923 20 0 JJADRN CO[C@@H](C(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccc(Br)s1 ZINC001461357407 1067837387 /nfs/dbraw/zinc/83/73/87/1067837387.db2.gz CJOSHQNXBSMCGV-GOSISDBHSA-N 0 0 451.317 4.841 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001461357941 1067837535 /nfs/dbraw/zinc/83/75/35/1067837535.db2.gz BWVOZXMUADAHFS-CRAIPNDOSA-N 0 0 456.505 4.911 20 0 JJADRN O=C(Cc1csc(-c2sccc2Br)n1)Nc1cc2c([nH]c1=O)CCCC2 ZINC001461359004 1067838203 /nfs/dbraw/zinc/83/82/03/1067838203.db2.gz JAJYARHEZNVITR-UHFFFAOYSA-N 0 0 450.383 4.795 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC001461360651 1067838395 /nfs/dbraw/zinc/83/83/95/1067838395.db2.gz QKMMHJWVOCZHDZ-UHFFFAOYSA-N 0 0 454.857 4.631 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC001461361536 1067838960 /nfs/dbraw/zinc/83/89/60/1067838960.db2.gz ONASAXDPGLGHJG-UHFFFAOYSA-N 0 0 453.560 4.860 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001461376998 1067841441 /nfs/dbraw/zinc/84/14/41/1067841441.db2.gz MXPOQPPMCUKWSI-AVRDEDQJSA-N 0 0 456.608 4.996 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1 ZINC001461382107 1067843484 /nfs/dbraw/zinc/84/34/84/1067843484.db2.gz UGYCNUYROBNWHK-FQEVSTJZSA-N 0 0 454.368 4.881 20 0 JJADRN Cc1ccc(CCC(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Br)c1 ZINC001461382809 1067843751 /nfs/dbraw/zinc/84/37/51/1067843751.db2.gz VWWBIRFHHLKRRI-MBSDFSHPSA-N 0 0 465.432 4.844 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CCOCC1 ZINC001546123913 1067843776 /nfs/dbraw/zinc/84/37/76/1067843776.db2.gz FOIYWEJKYDPCRT-UHFFFAOYSA-N 0 0 485.648 4.589 20 0 JJADRN CC[C@@H]1CO[C@@H](CC)CN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC ZINC001461384590 1067843863 /nfs/dbraw/zinc/84/38/63/1067843863.db2.gz ZGQUGSFANWPDIB-CABCVRRESA-N 0 0 457.427 4.780 20 0 JJADRN O=C(c1sc(Cl)nc1C(F)(F)F)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461385798 1067844130 /nfs/dbraw/zinc/84/41/30/1067844130.db2.gz NSPYIMIWYQVSKR-UHFFFAOYSA-N 0 0 454.699 4.540 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNCc2c(Br)cncc2Br)c1 ZINC001461388607 1067844596 /nfs/dbraw/zinc/84/45/96/1067844596.db2.gz NQNHUCUYCXHWJC-UHFFFAOYSA-N 0 0 456.178 4.852 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C)c1ccc(O[C@@H](C)c3ccccc3)cc1)C2=O ZINC001461386708 1067844630 /nfs/dbraw/zinc/84/46/30/1067844630.db2.gz SFOFUSLGJLGDTB-ZCNNSNEGSA-N 0 0 456.542 4.997 20 0 JJADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461387638 1067844643 /nfs/dbraw/zinc/84/46/43/1067844643.db2.gz USEWBSPCWYDMTL-YOSAUDMPSA-N 0 0 458.624 4.598 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCN(c3ccc(Br)cc3)CC2)c(Cl)c1 ZINC001461387716 1067845001 /nfs/dbraw/zinc/84/50/01/1067845001.db2.gz WAUMOXQPLRYMLL-UHFFFAOYSA-N 0 0 451.792 4.919 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461388608 1067845042 /nfs/dbraw/zinc/84/50/42/1067845042.db2.gz XBXKQTRPVXBXSP-UHFFFAOYSA-N 0 0 459.718 4.552 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3cnn(-c4ccc(Cl)cc4)c3)cc2C1 ZINC001461396737 1067845799 /nfs/dbraw/zinc/84/57/99/1067845799.db2.gz CADUUHYHDRUVBW-IBGZPJMESA-N 0 0 453.974 4.915 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001461396754 1067845910 /nfs/dbraw/zinc/84/59/10/1067845910.db2.gz JGAVXHKIIATLFA-OAQYLSRUSA-N 0 0 452.671 4.647 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001461398176 1067846200 /nfs/dbraw/zinc/84/62/00/1067846200.db2.gz VKJDHOAAHYAMKY-ZHALLVOQSA-N 0 0 458.628 4.729 20 0 JJADRN Cc1cc([C@H](CC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461398287 1067846312 /nfs/dbraw/zinc/84/63/12/1067846312.db2.gz XEWBBCYIAQYFHV-BPQIPLTHSA-N 0 0 482.021 4.721 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)C1CCCCCC1 ZINC001461400869 1067846610 /nfs/dbraw/zinc/84/66/10/1067846610.db2.gz OLVUEABROGNHEW-IBGZPJMESA-N 0 0 452.979 4.933 20 0 JJADRN COC[C@@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OC)c1 ZINC001461400875 1067846755 /nfs/dbraw/zinc/84/67/55/1067846755.db2.gz OOAOZGVNNNBWBF-QGZVFWFLSA-N 0 0 451.363 4.616 20 0 JJADRN CC(C)(C)c1cccc(OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1Cl ZINC001461401878 1067847270 /nfs/dbraw/zinc/84/72/70/1067847270.db2.gz MEMCGCBGXIDDMI-UHFFFAOYSA-N 0 0 459.789 4.920 20 0 JJADRN Clc1cc(Cl)c(OCCN2CCOCC2)c(CNc2cc3c(cc2Cl)OCO3)c1 ZINC001461413227 1067849454 /nfs/dbraw/zinc/84/94/54/1067849454.db2.gz HIXQYWKRKUGZKH-UHFFFAOYSA-N 0 0 459.757 4.699 20 0 JJADRN O=C(c1ccc(OCc2ccccc2)nc1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001461413159 1067849504 /nfs/dbraw/zinc/84/95/04/1067849504.db2.gz SHURJPMIHDLBBJ-NRFANRHFSA-N 0 0 453.336 4.637 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCC(F)(F)c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461411800 1067849571 /nfs/dbraw/zinc/84/95/71/1067849571.db2.gz VADAGJIBBFXEBK-UZLBHIALSA-N 0 0 456.867 4.824 20 0 JJADRN C[C@H](C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001461412057 1067849676 /nfs/dbraw/zinc/84/96/76/1067849676.db2.gz PINGZHIHFNPFKX-SCLBCKFNSA-N 0 0 453.174 4.915 20 0 JJADRN CCC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccc(Br)cc2Cl)C(F)(F)F)C1 ZINC001461414595 1067850421 /nfs/dbraw/zinc/85/04/21/1067850421.db2.gz VRRYWKUPACMUHA-BONVTDFDSA-N 0 0 456.686 4.898 20 0 JJADRN COc1cc(CN[C@H](CO)c2cnn(C)c2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC001461416247 1067850970 /nfs/dbraw/zinc/85/09/70/1067850970.db2.gz ZVPXSAHHNOWGLF-XMMPIXPASA-N 0 0 451.611 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CC(N(C(=O)CCCc2ccccc2Br)C2CCC2)C1 ZINC001461419826 1067852086 /nfs/dbraw/zinc/85/20/86/1067852086.db2.gz ZCENUESNBMDBTE-UHFFFAOYSA-N 0 0 451.405 4.772 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001461419345 1067852233 /nfs/dbraw/zinc/85/22/33/1067852233.db2.gz VKTZPISXAMZYLH-HNNXBMFYSA-N 0 0 451.405 4.628 20 0 JJADRN O=C(Nc1ccc(I)cc1F)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001461421219 1067852602 /nfs/dbraw/zinc/85/26/02/1067852602.db2.gz MTIRQYONOZQELM-QWHCGFSZSA-N 0 0 460.084 4.935 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001461423648 1067853265 /nfs/dbraw/zinc/85/32/65/1067853265.db2.gz IVRJYIYRPWTOEF-UHFFFAOYSA-N 0 0 450.587 4.870 20 0 JJADRN CCOc1cc(CNc2ccc(C)c(-c3nnnn3C3CC3)c2)cc(Br)c1OC ZINC001461428734 1067853991 /nfs/dbraw/zinc/85/39/91/1067853991.db2.gz BWTPGCKGNUCJPJ-UHFFFAOYSA-N 0 0 458.360 4.765 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC001461431759 1067854410 /nfs/dbraw/zinc/85/44/10/1067854410.db2.gz OEVJMJXMLIVMME-HTAPYJJXSA-N 0 0 458.400 4.827 20 0 JJADRN Cc1cc(Br)cc(NCc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001461431787 1067854775 /nfs/dbraw/zinc/85/47/75/1067854775.db2.gz DCUWQUHALQFIJW-QGZVFWFLSA-N 0 0 450.381 4.533 20 0 JJADRN Cc1ccc(I)cc1NCc1ccc(I)s1 ZINC001461436009 1067856376 /nfs/dbraw/zinc/85/63/76/1067856376.db2.gz HLXAXIRYZARBNR-UHFFFAOYSA-N 0 0 455.102 4.878 20 0 JJADRN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n1 ZINC001461440124 1067857411 /nfs/dbraw/zinc/85/74/11/1067857411.db2.gz COPQHTQCGLGVKY-LAUBAEHRSA-N 0 0 450.539 4.584 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1 ZINC001461446657 1067858563 /nfs/dbraw/zinc/85/85/63/1067858563.db2.gz KVGDGUVAXQIXJO-QFIPXVFZSA-N 0 0 457.534 4.892 20 0 JJADRN CCC(CC)(C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)c1ccc(OC)c(OC)c1 ZINC001461446776 1067858711 /nfs/dbraw/zinc/85/87/11/1067858711.db2.gz XWNSSPCQHQUBOF-FQEVSTJZSA-N 0 0 453.579 4.785 20 0 JJADRN CC(C)(C)OC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1COC1CCOCC1 ZINC001461450949 1067859902 /nfs/dbraw/zinc/85/99/02/1067859902.db2.gz LJFJWVKYWVCMIY-UHFFFAOYSA-N 0 0 451.563 4.931 20 0 JJADRN O=C(Nc1nc(Br)cc2ccccc21)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001461457266 1067861243 /nfs/dbraw/zinc/86/12/43/1067861243.db2.gz YHMNNEHAKWGVGQ-UHFFFAOYSA-N 0 0 459.243 4.543 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC001546124509 1067861289 /nfs/dbraw/zinc/86/12/89/1067861289.db2.gz YBXMCDPZBLMDKI-FQEVSTJZSA-N 0 0 477.447 4.949 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3nc(Br)cc4ccccc43)CCC2=O)cc1C ZINC001461457131 1067861358 /nfs/dbraw/zinc/86/13/58/1067861358.db2.gz WUKHMRSGNKIJKD-KRWDZBQOSA-N 0 0 452.352 4.996 20 0 JJADRN C[C@@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)C[C@H](C)O1 ZINC001461458864 1067861741 /nfs/dbraw/zinc/86/17/41/1067861741.db2.gz FUHXIPJRULJHEF-KDURUIRLSA-N 0 0 452.599 4.601 20 0 JJADRN CCOc1ccc(Oc2c(CNCc3cccn(CC)c3=O)c(C)nn2-c2ccccc2)cc1 ZINC001461463324 1067862761 /nfs/dbraw/zinc/86/27/61/1067862761.db2.gz RLKYANDUOPVLPM-UHFFFAOYSA-N 0 0 458.562 4.843 20 0 JJADRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CNc1ccc2c(c1)OCC(=O)N2C ZINC001461464390 1067863250 /nfs/dbraw/zinc/86/32/50/1067863250.db2.gz NOBDVNNFGOERCW-UHFFFAOYSA-N 0 0 455.356 4.726 20 0 JJADRN CC(=O)Nc1ccc(CNCc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)cn1 ZINC001461466454 1067863979 /nfs/dbraw/zinc/86/39/79/1067863979.db2.gz ULOVZZLZNDMRAI-UHFFFAOYSA-N 0 0 452.773 4.843 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)c(Cl)c1 ZINC001546124660 1067865232 /nfs/dbraw/zinc/86/52/32/1067865232.db2.gz DTEGCVHVFGYFGN-UHFFFAOYSA-N 0 0 453.322 4.814 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c2ccccc2n1 ZINC001461469528 1067865462 /nfs/dbraw/zinc/86/54/62/1067865462.db2.gz WDEDEAXOLKVLIC-AUSIDOKSSA-N 0 0 479.552 4.906 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C\c2ccsc2)cc1F ZINC001461470469 1067865640 /nfs/dbraw/zinc/86/56/40/1067865640.db2.gz KJUJSHFAKYIQEJ-BAPGNDEYSA-N 0 0 460.571 4.818 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C/c2ccsc2)cc1F ZINC001461470475 1067865742 /nfs/dbraw/zinc/86/57/42/1067865742.db2.gz KJUJSHFAKYIQEJ-OUXAZZEQSA-N 0 0 460.571 4.818 20 0 JJADRN CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1C ZINC001461470437 1067865794 /nfs/dbraw/zinc/86/57/94/1067865794.db2.gz KHCIQGIZUGBEBK-FYYLOGMGSA-N 0 0 469.557 4.616 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3nsc4ccccc43)c2)cc1 ZINC001461470813 1067865866 /nfs/dbraw/zinc/86/58/66/1067865866.db2.gz DFCQEZWTZIMTPU-UHFFFAOYSA-N 0 0 451.573 4.706 20 0 JJADRN CC(C)(C)OC(=O)c1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)nc2ccccn21 ZINC001461472169 1067866121 /nfs/dbraw/zinc/86/61/21/1067866121.db2.gz ADVQXBXUGPATAC-UHFFFAOYSA-N 0 0 452.511 4.728 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)no1 ZINC001461471695 1067866135 /nfs/dbraw/zinc/86/61/35/1067866135.db2.gz RPJNFMLCSPCBBH-CJAUYULYSA-N 0 0 457.640 4.965 20 0 JJADRN C[C@@H]1[C@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)CCN1C(=O)OC(C)(C)C ZINC001461472969 1067866840 /nfs/dbraw/zinc/86/68/40/1067866840.db2.gz QNLXSLSLTSTGOC-VXGBXAGGSA-N 0 0 456.490 4.808 20 0 JJADRN C[C@H]1[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)CCN1C(=O)OC(C)(C)C ZINC001461472963 1067867007 /nfs/dbraw/zinc/86/70/07/1067867007.db2.gz QNLXSLSLTSTGOC-RYUDHWBXSA-N 0 0 456.490 4.808 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2occ3c2CCC3)cc1 ZINC001461473847 1067867402 /nfs/dbraw/zinc/86/74/02/1067867402.db2.gz GCQXIYSTKBKELJ-UNMCSNQZSA-N 0 0 454.567 4.690 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2Br)ccn1 ZINC001461474290 1067867624 /nfs/dbraw/zinc/86/76/24/1067867624.db2.gz PPXYUUHCZWVHGX-UHFFFAOYSA-N 0 0 455.736 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)COC/C=C\c2ccccc2)C1 ZINC001461474109 1067867732 /nfs/dbraw/zinc/86/77/32/1067867732.db2.gz FQOSHSOPVRFUBW-LSXUDPDHSA-N 0 0 450.579 4.626 20 0 JJADRN Cc1cc(C)cc(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1 ZINC001461475281 1067867806 /nfs/dbraw/zinc/86/78/06/1067867806.db2.gz GOPASMMSTSVGAM-DHIUTWEWSA-N 0 0 456.558 4.731 20 0 JJADRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001461475540 1067868022 /nfs/dbraw/zinc/86/80/22/1067868022.db2.gz VPWMIAGMTBSUID-AWEZNQCLSA-N 0 0 454.380 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3ccccn3)n2)C1 ZINC001461475756 1067868033 /nfs/dbraw/zinc/86/80/33/1067868033.db2.gz IQSAODUVYUGQMM-UYAOXDASSA-N 0 0 464.591 4.728 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC001461475216 1067868158 /nfs/dbraw/zinc/86/81/58/1067868158.db2.gz JFTURGXNEROANS-BVSLBCMMSA-N 0 0 468.619 4.794 20 0 JJADRN CCOC(=O)[C@@](NC(=O)Cc1sc(SCC(C)C)nc1C)(C1CCC1)C(F)(F)F ZINC001461477622 1067869200 /nfs/dbraw/zinc/86/92/00/1067869200.db2.gz SQWSFMSEWUUBOO-SFHVURJKSA-N 0 0 452.564 4.523 20 0 JJADRN CO[C@@](C)(CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)COCc1ccccc1 ZINC001461478093 1067869323 /nfs/dbraw/zinc/86/93/23/1067869323.db2.gz TXOKFFCBZNLKDK-QHCPKHFHSA-N 0 0 450.501 4.657 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccccn2c1C(=O)OC(C)(C)C)c1ccc(Br)s1 ZINC001461478765 1067869630 /nfs/dbraw/zinc/86/96/30/1067869630.db2.gz NSLYLXHFWHLEQR-LLVKDONJSA-N 0 0 450.358 4.856 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(Cl)nc2C)cc1 ZINC001461478942 1067869673 /nfs/dbraw/zinc/86/96/73/1067869673.db2.gz RBXSZVWOHNLSDY-PMACEKPBSA-N 0 0 459.974 4.575 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1ccc(Br)cc1SC)(C1CCC1)C(F)(F)F ZINC001461479592 1067870401 /nfs/dbraw/zinc/87/04/01/1067870401.db2.gz YAGSPOKRJGRCEN-INIZCTEOSA-N 0 0 454.308 4.565 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001461479333 1067870481 /nfs/dbraw/zinc/87/04/81/1067870481.db2.gz HGZULSFQNLSGDH-BOSXTWCSSA-N 0 0 452.542 4.664 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC001461481248 1067870860 /nfs/dbraw/zinc/87/08/60/1067870860.db2.gz YKAXDPKBMUFLKP-RTFZILSDSA-N 0 0 466.578 4.542 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)c2c1 ZINC001461481579 1067871247 /nfs/dbraw/zinc/87/12/47/1067871247.db2.gz YTNSSLCWKWDGRK-XMSQKQJNSA-N 0 0 479.552 4.911 20 0 JJADRN COc1c(Cl)cc(Cl)cc1CNc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001461484236 1067872183 /nfs/dbraw/zinc/87/21/83/1067872183.db2.gz DYJQADRJHHMTFG-UHFFFAOYSA-N 0 0 452.363 4.951 20 0 JJADRN COC(=O)[C@H](NC(=O)CCCOc1ccc(C)cc1Cl)c1ccccc1Br ZINC001461485704 1067872633 /nfs/dbraw/zinc/87/26/33/1067872633.db2.gz RLICSZCXRGWAMV-LJQANCHMSA-N 0 0 454.748 4.600 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c1I ZINC001461486896 1067872659 /nfs/dbraw/zinc/87/26/59/1067872659.db2.gz VLULKTAEOXHCQK-OAHLLOKOSA-N 0 0 453.324 4.593 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)c1ccccc1Br ZINC001461487690 1067873009 /nfs/dbraw/zinc/87/30/09/1067873009.db2.gz VXAONRHGLMDFBS-SFHVURJKSA-N 0 0 452.757 4.890 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)n2)cc1 ZINC001461487377 1067873134 /nfs/dbraw/zinc/87/31/34/1067873134.db2.gz URTNPDLTHRBTLN-HSZRJFAPSA-N 0 0 457.452 4.759 20 0 JJADRN CCN(C)C(=O)c1cccc(NCc2cc(Br)c([C@H](C)OCOC)cc2F)c1 ZINC001461491875 1067874380 /nfs/dbraw/zinc/87/43/80/1067874380.db2.gz CLSDHXBTXJKGFI-AWEZNQCLSA-N 0 0 453.352 4.974 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001461494188 1067875400 /nfs/dbraw/zinc/87/54/00/1067875400.db2.gz MKHOPPLVBHQMQB-UHFFFAOYSA-N 0 0 456.408 4.595 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3ccccc3)nc2)cc1 ZINC001461495122 1067875972 /nfs/dbraw/zinc/87/59/72/1067875972.db2.gz MNFYJCUCJCEJQC-WOJBJXKFSA-N 0 0 459.546 4.669 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cnc(-c3ccccc3)nc2)cc1 ZINC001461495116 1067876029 /nfs/dbraw/zinc/87/60/29/1067876029.db2.gz MNFYJCUCJCEJQC-PMACEKPBSA-N 0 0 459.546 4.669 20 0 JJADRN O=C(Nc1ccc2c(c1)CCNC2=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001461499308 1067876898 /nfs/dbraw/zinc/87/68/98/1067876898.db2.gz CFDCTRWVPOQVTQ-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC001461502388 1067877637 /nfs/dbraw/zinc/87/76/37/1067877637.db2.gz HBVNULUAIKHMLZ-YADARESESA-N 0 0 451.007 4.680 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC001461502549 1067877652 /nfs/dbraw/zinc/87/76/52/1067877652.db2.gz MMGNANKYMDUDQE-UHFFFAOYSA-N 0 0 454.958 4.982 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC001461502385 1067877683 /nfs/dbraw/zinc/87/76/83/1067877683.db2.gz HBVNULUAIKHMLZ-CYFREDJKSA-N 0 0 451.007 4.680 20 0 JJADRN COc1cc(OC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC001461504886 1067878146 /nfs/dbraw/zinc/87/81/46/1067878146.db2.gz JHTZWNMJVCCNHY-UHFFFAOYSA-N 0 0 455.717 4.859 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)nn1-c1ccccc1Cl ZINC001461509267 1067879303 /nfs/dbraw/zinc/87/93/03/1067879303.db2.gz LJEFCPUNAVAAQK-UHFFFAOYSA-N 0 0 451.889 4.586 20 0 JJADRN Cn1c2ccccc2c(Br)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001461512455 1067879644 /nfs/dbraw/zinc/87/96/44/1067879644.db2.gz VPNIPPJWJUEBRX-INIZCTEOSA-N 0 0 458.347 4.675 20 0 JJADRN Cn1cc(Br)c(CNCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC001461513940 1067880181 /nfs/dbraw/zinc/88/01/81/1067880181.db2.gz NMGUMMCTMQNZNP-UHFFFAOYSA-N 0 0 456.775 4.979 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001461523506 1067880806 /nfs/dbraw/zinc/88/08/06/1067880806.db2.gz PDRSVCLCCYHAJM-UHFFFAOYSA-N 0 0 459.793 4.561 20 0 JJADRN COc1ccc(C(=O)Nc2cc(SC)ccc2Cl)cc1S(=O)(=O)NC1CCCC1 ZINC001461525550 1067881449 /nfs/dbraw/zinc/88/14/49/1067881449.db2.gz SSAMMFAZYGEHEJ-UHFFFAOYSA-N 0 0 455.001 4.544 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(Br)cc1 ZINC001461525299 1067881492 /nfs/dbraw/zinc/88/14/92/1067881492.db2.gz SMGXRHRIURACCH-WCVJEAGWSA-N 0 0 459.331 4.565 20 0 JJADRN Cc1onc(-c2cccs2)c1C(=O)NCc1cc(Cl)ccc1I ZINC001461531658 1067882208 /nfs/dbraw/zinc/88/22/08/1067882208.db2.gz XVACVLCCFROBOH-UHFFFAOYSA-N 0 0 458.708 4.900 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001461536266 1067883721 /nfs/dbraw/zinc/88/37/21/1067883721.db2.gz BBHYIJMYVFFWHT-HYHGFWQJSA-N 0 0 484.367 4.626 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001461536260 1067883908 /nfs/dbraw/zinc/88/39/08/1067883908.db2.gz BBHYIJMYVFFWHT-HETASXCBSA-N 0 0 484.367 4.626 20 0 JJADRN CS(=O)(=O)[C@@H]1CN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C[C@H]1C(F)(F)F ZINC001461537561 1067884318 /nfs/dbraw/zinc/88/43/18/1067884318.db2.gz IYHUWYNMSWRXJP-ZTFGCOKTSA-N 0 0 477.957 4.607 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)sc1-c1ccccc1 ZINC001461538864 1067884349 /nfs/dbraw/zinc/88/43/49/1067884349.db2.gz FSQDPZPIMLDXEA-GCJKJVERSA-N 0 0 450.608 4.575 20 0 JJADRN C[C@@H](NCc1ccc(F)cc1I)c1ccc(N2CCCCC2=O)cc1 ZINC001461541527 1067884681 /nfs/dbraw/zinc/88/46/81/1067884681.db2.gz SMJDRSTYXQKHSF-CQSZACIVSA-N 0 0 452.311 4.798 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cnn(-c3cccc(Br)c3)c2)CO1 ZINC001461544457 1067885756 /nfs/dbraw/zinc/88/57/56/1067885756.db2.gz TWUSZXDTEOKMKT-OAQYLSRUSA-N 0 0 454.368 4.845 20 0 JJADRN CCc1ccccc1[C@@H](CNCc1ncc(Br)cc1F)NC(=O)OC(C)(C)C ZINC001461548515 1067886200 /nfs/dbraw/zinc/88/62/00/1067886200.db2.gz HOQWFKBSTJNWBE-GOSISDBHSA-N 0 0 452.368 4.901 20 0 JJADRN Cc1c(NCc2cc(Br)ccc2Br)nnn1Cc1ccccc1F ZINC001461550937 1067886626 /nfs/dbraw/zinc/88/66/26/1067886626.db2.gz NPQFCQKIFOYNLA-UHFFFAOYSA-N 0 0 454.141 4.911 20 0 JJADRN CCc1sc(C(=O)Nc2c3c(sc2C(=O)OC)CN(C(=O)OC(C)(C)C)C3)cc1C ZINC001461557672 1067887518 /nfs/dbraw/zinc/88/75/18/1067887518.db2.gz IGXCSAWBXYTHEN-UHFFFAOYSA-N 0 0 450.582 4.970 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCc1ccc(CC(N)=O)cc1 ZINC001461555722 1067887550 /nfs/dbraw/zinc/88/75/50/1067887550.db2.gz ZXIOJQNQQAJZLE-UHFFFAOYSA-N 0 0 451.785 4.518 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001461557354 1067887632 /nfs/dbraw/zinc/88/76/32/1067887632.db2.gz LNQFPOKGJUACSQ-GOSISDBHSA-N 0 0 454.748 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC/C=C/c2ccc(F)cc2)CC1 ZINC001461559500 1067888054 /nfs/dbraw/zinc/88/80/54/1067888054.db2.gz MPHYRVHJULGHJS-VOTSOKGWSA-N 0 0 455.574 4.883 20 0 JJADRN O=S(=O)(c1cc(NCc2ccccc2OCc2ccccn2)ccc1Cl)N1CCCC1 ZINC001461560029 1067888373 /nfs/dbraw/zinc/88/83/73/1067888373.db2.gz OTIHWIRWTGHSPS-UHFFFAOYSA-N 0 0 457.983 4.711 20 0 JJADRN CN(C(=O)c1ccc(NCc2cccc(CNC(=O)OC(C)(C)C)c2)cc1)C1CCOCC1 ZINC001461563107 1067888765 /nfs/dbraw/zinc/88/87/65/1067888765.db2.gz BPVJWSOCTNCVJF-UHFFFAOYSA-N 0 0 453.583 4.574 20 0 JJADRN C/C(=C\c1ccccc1OC(F)F)CNc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C ZINC001461563845 1067888926 /nfs/dbraw/zinc/88/89/26/1067888926.db2.gz FIXQIFFJCFVZNK-FOWTUZBSSA-N 0 0 454.539 4.841 20 0 JJADRN CN(C)C(=O)COc1ccccc1CNc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001461563289 1067889325 /nfs/dbraw/zinc/88/93/25/1067889325.db2.gz GDNGBRPFYVNGCU-RUZDIDTESA-N 0 0 457.574 4.743 20 0 JJADRN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001461563979 1067889336 /nfs/dbraw/zinc/88/93/36/1067889336.db2.gz ISWNCBLGZAWTEI-HOTGVXAUSA-N 0 0 454.521 4.629 20 0 JJADRN CN(C(=O)c1ccc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1)C1CCOCC1 ZINC001461565514 1067889783 /nfs/dbraw/zinc/88/97/83/1067889783.db2.gz PHDATOHFPMEJMJ-HSZRJFAPSA-N 0 0 458.986 4.761 20 0 JJADRN Cc1ccc(OCc2nc(CNc3ccc(C(=O)N(C)C4CCOCC4)cc3)cs2)cc1 ZINC001461564962 1067889805 /nfs/dbraw/zinc/88/98/05/1067889805.db2.gz OEZLANNBCXQQGA-UHFFFAOYSA-N 0 0 451.592 4.894 20 0 JJADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccc(C)cc2)CCCC1 ZINC001546125342 1067890001 /nfs/dbraw/zinc/89/00/01/1067890001.db2.gz BYXLIIMEJMRBQD-PZJWPPBQSA-N 0 0 459.660 4.509 20 0 JJADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccc(C)cc2)CCCC1 ZINC001546125343 1067890415 /nfs/dbraw/zinc/89/04/15/1067890415.db2.gz BYXLIIMEJMRBQD-TZIWHRDSSA-N 0 0 459.660 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3ccc(OC(C)(C)C)cn3)cc2)C1 ZINC001461568414 1067890770 /nfs/dbraw/zinc/89/07/70/1067890770.db2.gz KTDYEKGSMVFFQN-OAQYLSRUSA-N 0 0 455.555 4.820 20 0 JJADRN COc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)c(SC)cc1OC ZINC001461572237 1067891148 /nfs/dbraw/zinc/89/11/48/1067891148.db2.gz QKLPHZSZAWKOES-LBPRGKRZSA-N 0 0 455.502 4.960 20 0 JJADRN CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOCC2)cc1 ZINC001461573193 1067891187 /nfs/dbraw/zinc/89/11/87/1067891187.db2.gz RDQYBHOBOSMQMX-UHFFFAOYSA-N 0 0 454.958 4.602 20 0 JJADRN COc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)c(SC)cc1OC ZINC001461572236 1067891398 /nfs/dbraw/zinc/89/13/98/1067891398.db2.gz QKLPHZSZAWKOES-GFCCVEGCSA-N 0 0 455.502 4.960 20 0 JJADRN CCCCN(C(=O)c1cc(Br)cc(I)c1)c1cccnc1 ZINC001461575057 1067891909 /nfs/dbraw/zinc/89/19/09/1067891909.db2.gz BQUURUPGDHLCII-UHFFFAOYSA-N 0 0 459.125 4.896 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1-c1ccccc1 ZINC001461576504 1067892133 /nfs/dbraw/zinc/89/21/33/1067892133.db2.gz PEWIPTCJLAHMBF-OAQYLSRUSA-N 0 0 452.599 4.868 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@H](C)C2 ZINC001461580471 1067893028 /nfs/dbraw/zinc/89/30/28/1067893028.db2.gz MYVWOVLZQCCXIR-XFPJRNFQSA-N 0 0 460.361 4.557 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCC1 ZINC001546125453 1067893066 /nfs/dbraw/zinc/89/30/66/1067893066.db2.gz FEMUMZXPLUORAK-LJQANCHMSA-N 0 0 471.621 4.879 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCCc4c(OC)cc(OC)cc43)CC2(Cl)Cl)cc1 ZINC001461580479 1067893082 /nfs/dbraw/zinc/89/30/82/1067893082.db2.gz WGOSIVGCPRDJBB-QFIPXVFZSA-N 0 0 450.362 4.897 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001461580221 1067893111 /nfs/dbraw/zinc/89/31/11/1067893111.db2.gz LLFFIJACDRDADF-IHSTYLSNSA-N 0 0 470.635 4.524 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CCC1 ZINC001546125473 1067893511 /nfs/dbraw/zinc/89/35/11/1067893511.db2.gz FOIIECVKBQFKDT-UXHICEINSA-N 0 0 471.621 4.879 20 0 JJADRN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CCCSc1ccc(Br)cc1 ZINC001461583176 1067893976 /nfs/dbraw/zinc/89/39/76/1067893976.db2.gz HANHTXPBHKBZHK-LJQANCHMSA-N 0 0 452.370 4.604 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC001461583016 1067894133 /nfs/dbraw/zinc/89/41/33/1067894133.db2.gz PIVBSEONXYWUCH-SANMLTNESA-N 0 0 456.542 4.562 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C12CCC2 ZINC001461592336 1067896525 /nfs/dbraw/zinc/89/65/25/1067896525.db2.gz BJQQCRXAOGGUHY-GBESFXJTSA-N 0 0 453.410 4.841 20 0 JJADRN O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461594905 1067897185 /nfs/dbraw/zinc/89/71/85/1067897185.db2.gz BHZJUNPRTBKALQ-INIZCTEOSA-N 0 0 450.201 4.960 20 0 JJADRN Cn1nnnc1-c1ccc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC001461598044 1067897867 /nfs/dbraw/zinc/89/78/67/1067897867.db2.gz YTQLICDTCWISCO-HXUWFJFHSA-N 0 0 454.317 4.943 20 0 JJADRN O=C(c1ccc(Oc2ccccc2F)nc1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461598516 1067898552 /nfs/dbraw/zinc/89/85/52/1067898552.db2.gz QFJNUCUCVQLICE-IBGZPJMESA-N 0 0 457.299 4.989 20 0 JJADRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCOC[C@H]1c1cccc(F)c1 ZINC001461599430 1067898644 /nfs/dbraw/zinc/89/86/44/1067898644.db2.gz UIUWOUROGCZFSA-FQEVSTJZSA-N 0 0 457.299 4.989 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Nc4cccc(OC)c4)cn3)n2)cc1 ZINC001461599489 1067898751 /nfs/dbraw/zinc/89/87/51/1067898751.db2.gz CGDRAUCXAZQZPV-UHFFFAOYSA-N 0 0 459.506 4.854 20 0 JJADRN O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCc2sc(Br)cc2C1 ZINC001461601988 1067899018 /nfs/dbraw/zinc/89/90/18/1067899018.db2.gz AKJDVAMKAKPHKH-UHFFFAOYSA-N 0 0 456.287 4.914 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)C12CCC2 ZINC001461603175 1067899407 /nfs/dbraw/zinc/89/94/07/1067899407.db2.gz UOJCCKWRBZBKSK-BBOGMKJQSA-N 0 0 459.030 4.977 20 0 JJADRN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)[C@H]1COc2ccc(Br)cc21 ZINC001461604330 1067900062 /nfs/dbraw/zinc/90/00/62/1067900062.db2.gz HICOEOSLLLHSPX-AWEZNQCLSA-N 0 0 451.292 4.889 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001461604838 1067900097 /nfs/dbraw/zinc/90/00/97/1067900097.db2.gz JVPVYUNPYHMFID-MRXNPFEDSA-N 0 0 454.340 4.752 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001461606589 1067900338 /nfs/dbraw/zinc/90/03/38/1067900338.db2.gz INYBOIQYLNSHKT-RBUKOAKNSA-N 0 0 455.332 4.981 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CCc3sc(Br)cc3C2)cc1)c1ccccc1 ZINC001461605933 1067900388 /nfs/dbraw/zinc/90/03/88/1067900388.db2.gz KBEBFIUWHOQVMP-UHFFFAOYSA-N 0 0 455.377 4.986 20 0 JJADRN Cc1c(Br)cccc1CNCc1c(F)ccc(I)c1F ZINC001461607508 1067900514 /nfs/dbraw/zinc/90/05/14/1067900514.db2.gz XOGFXDRWZJTFES-UHFFFAOYSA-N 0 0 452.080 4.930 20 0 JJADRN Cc1cc(Br)c(F)cc1OC(=O)c1ccc(F)c(I)c1 ZINC001461609510 1067900757 /nfs/dbraw/zinc/90/07/57/1067900757.db2.gz CAPOAGBFIDBKOD-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001461607565 1067900824 /nfs/dbraw/zinc/90/08/24/1067900824.db2.gz MYFFIFCMZHEHBT-PXAZEXFGSA-N 0 0 455.502 4.546 20 0 JJADRN CC(C)(C)n1nnc(CNCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 ZINC001461610735 1067901223 /nfs/dbraw/zinc/90/12/23/1067901223.db2.gz ZGNDFLHTHKDXPC-UHFFFAOYSA-N 0 0 457.578 4.876 20 0 JJADRN COc1ccc2c(c1)CCN(C(=O)c1cccnc1Oc1ccc(F)cc1Br)C2 ZINC001461617488 1067902532 /nfs/dbraw/zinc/90/25/32/1067902532.db2.gz LYMYWSVKYMBYRE-UHFFFAOYSA-N 0 0 457.299 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC001461618890 1067902982 /nfs/dbraw/zinc/90/29/82/1067902982.db2.gz WLDDDZPVBYUHMW-VABKMULXSA-N 0 0 456.627 4.883 20 0 JJADRN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001461621792 1067903280 /nfs/dbraw/zinc/90/32/80/1067903280.db2.gz RAQDWRRSNYRMPY-RXVVDRJESA-N 0 0 453.336 4.939 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)N(C)c1nc2cc(Br)ccc2s1 ZINC001461621179 1067903310 /nfs/dbraw/zinc/90/33/10/1067903310.db2.gz FUBDJCHESDCKJP-UHFFFAOYSA-N 0 0 457.353 4.920 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)c1nc2cc(Br)ccc2s1 ZINC001461622358 1067903317 /nfs/dbraw/zinc/90/33/17/1067903317.db2.gz OBCJPVNSYUICGR-GOSISDBHSA-N 0 0 458.381 4.558 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001461622389 1067903333 /nfs/dbraw/zinc/90/33/33/1067903333.db2.gz ONRJKHYLVADHSA-DLBZAZTESA-N 0 0 463.374 4.863 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cc(Br)ccc1I ZINC001461623503 1067903649 /nfs/dbraw/zinc/90/36/49/1067903649.db2.gz NEYPNEHOYVQBGE-XHDPSFHLSA-N 0 0 476.539 4.993 20 0 JJADRN CCN(CC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)C(=O)OC(C)(C)C ZINC001461625816 1067904457 /nfs/dbraw/zinc/90/44/57/1067904457.db2.gz DPTAWQHTXAPXFJ-UHFFFAOYSA-N 0 0 459.234 4.682 20 0 JJADRN O=C(CC1CCC2(CC1)OCCO2)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001461627913 1067904853 /nfs/dbraw/zinc/90/48/53/1067904853.db2.gz KCDTXTBXECTVNF-UHFFFAOYSA-N 0 0 456.230 4.749 20 0 JJADRN CC1(C)CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2cc(Br)ccc21 ZINC001461627496 1067904903 /nfs/dbraw/zinc/90/49/03/1067904903.db2.gz HVJQXSZNQFUSTQ-UHFFFAOYSA-N 0 0 456.306 4.868 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632869 1067906058 /nfs/dbraw/zinc/90/60/58/1067906058.db2.gz MPGXXVKPSHWTHH-ROUUACIJSA-N 0 0 456.505 4.738 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001461635547 1067906419 /nfs/dbraw/zinc/90/64/19/1067906419.db2.gz BURJEBRQJXOIMQ-UHFFFAOYSA-N 0 0 458.458 4.604 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC001461637466 1067907257 /nfs/dbraw/zinc/90/72/57/1067907257.db2.gz LRKJLRLALRSBJK-PZJWPPBQSA-N 0 0 457.958 4.869 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1F ZINC001461638997 1067907316 /nfs/dbraw/zinc/90/73/16/1067907316.db2.gz JRVSLYMHWHHSGR-GFCCVEGCSA-N 0 0 456.333 4.568 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)c1Cl ZINC001461637532 1067907383 /nfs/dbraw/zinc/90/73/83/1067907383.db2.gz DIACJAWZTDLEBY-UHFFFAOYSA-N 0 0 455.685 4.681 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)O1 ZINC001461646694 1067909017 /nfs/dbraw/zinc/90/90/17/1067909017.db2.gz DZNIHHORPJGVRF-YPMHNXCESA-N 0 0 451.823 4.867 20 0 JJADRN COC(=O)c1cc2c(o1)c(OC)ccc2CNCC(F)(F)c1ccc(Br)cc1 ZINC001461650056 1067909499 /nfs/dbraw/zinc/90/94/99/1067909499.db2.gz YVHLVVOBGKJABC-UHFFFAOYSA-N 0 0 454.267 4.872 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1OC ZINC001461650837 1067909658 /nfs/dbraw/zinc/90/96/58/1067909658.db2.gz GVUDQNZCBOZGCY-SVFBPWRDSA-N 0 0 462.631 4.814 20 0 JJADRN CCn1c(Br)c(Br)nc1CNc1ccc(OC(F)F)c(OC)c1 ZINC001461650994 1067910165 /nfs/dbraw/zinc/91/01/65/1067910165.db2.gz YWRAGHWYSAHFBT-UHFFFAOYSA-N 0 0 455.097 4.650 20 0 JJADRN C[C@@H](NC(=O)c1cccn2ncc(Br)c12)c1cc(F)c(Br)cc1F ZINC001461660939 1067912562 /nfs/dbraw/zinc/91/25/62/1067912562.db2.gz XSUWFPZNIMMWMP-MRVPVSSYSA-N 0 0 459.088 4.629 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N(Cc2ccccc2F)CC2CC2)[C@@H]1c1ccc(OC)cc1 ZINC001461664749 1067913401 /nfs/dbraw/zinc/91/34/01/1067913401.db2.gz KJSHDQPFTXETKO-OZXSUGGESA-N 0 0 452.570 4.963 20 0 JJADRN Cc1cc(CNc2ccc(N3CC[C@H](CO)C3)c(Br)c2)ccc1Br ZINC001461665144 1067913837 /nfs/dbraw/zinc/91/38/37/1067913837.db2.gz AAIGFKKWIQEHEH-HNNXBMFYSA-N 0 0 454.206 4.951 20 0 JJADRN COC(=O)N(C)CCN(C)C(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc21 ZINC001461665464 1067913850 /nfs/dbraw/zinc/91/38/50/1067913850.db2.gz IIUMQERMCMODNE-UHFFFAOYSA-N 0 0 457.530 4.834 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CNC(C)(C)C(=O)Nc2ccccc2)cc1Br ZINC001461666393 1067913950 /nfs/dbraw/zinc/91/39/50/1067913950.db2.gz DVKAESWUNCXDGW-CQSZACIVSA-N 0 0 453.352 4.777 20 0 JJADRN COc1cc(CNc2ccc(N3CC[C@H](CO)C3)c(Br)c2)cc(Cl)c1OC ZINC001461670776 1067915053 /nfs/dbraw/zinc/91/50/53/1067915053.db2.gz WTSQJOHJVGCUSN-ZDUSSCGKSA-N 0 0 455.780 4.550 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001461676353 1067915858 /nfs/dbraw/zinc/91/58/58/1067915858.db2.gz DXQAIIJQQMCRFF-SFHVURJKSA-N 0 0 459.377 4.500 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678975 1067916870 /nfs/dbraw/zinc/91/68/70/1067916870.db2.gz SDFLUKHBCCMPAP-IBGZPJMESA-N 0 0 458.002 4.728 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 ZINC001461678977 1067917114 /nfs/dbraw/zinc/91/71/14/1067917114.db2.gz SDFLUKHBCCMPAP-LJQANCHMSA-N 0 0 458.002 4.728 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001461685438 1067918255 /nfs/dbraw/zinc/91/82/55/1067918255.db2.gz OBXVCQZUFNHTBG-ORAYPTAESA-N 0 0 450.848 4.542 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001461689086 1067918689 /nfs/dbraw/zinc/91/86/89/1067918689.db2.gz YHTVFSOSHBFKLD-VBKZILBWSA-N 0 0 460.759 4.890 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N[C@@H]1CCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001461690533 1067919114 /nfs/dbraw/zinc/91/91/14/1067919114.db2.gz RFYPPHGEJRGTTN-RLWLMLJZSA-N 0 0 450.535 4.617 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001461692353 1067919591 /nfs/dbraw/zinc/91/95/91/1067919591.db2.gz TZBFEGWOSCUBBB-ILWGZMRPSA-N 0 0 452.551 4.958 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cc2c(cncc2Br)s1 ZINC001461695150 1067919954 /nfs/dbraw/zinc/91/99/54/1067919954.db2.gz VLDWKXPZTPTYFO-IAGOWNOFSA-N 0 0 458.381 4.530 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)cs1 ZINC001461697458 1067920859 /nfs/dbraw/zinc/92/08/59/1067920859.db2.gz ACCBATCPSKQJDV-RTBURBONSA-N 0 0 465.616 4.821 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001461700369 1067921263 /nfs/dbraw/zinc/92/12/63/1067921263.db2.gz UGWBLJZNIFTQGH-FGZHOGPDSA-N 0 0 458.530 4.630 20 0 JJADRN COc1ccc(F)c(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001461721487 1067925238 /nfs/dbraw/zinc/92/52/38/1067925238.db2.gz VCSLZFGKAPHWFH-UXHICEINSA-N 0 0 462.949 4.755 20 0 JJADRN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC001461721368 1067925266 /nfs/dbraw/zinc/92/52/66/1067925266.db2.gz MRWZYSFUKQHRKR-LJQANCHMSA-N 0 0 457.542 4.885 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001461725113 1067926320 /nfs/dbraw/zinc/92/63/20/1067926320.db2.gz SCSMRFZPTLAXEE-JEBQAFNWSA-N 0 0 455.577 4.862 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCc2cnc3ccccc3c2)c1 ZINC001461727195 1067926706 /nfs/dbraw/zinc/92/67/06/1067926706.db2.gz GPOCQHYOZDQFTM-UHFFFAOYSA-N 0 0 452.624 4.868 20 0 JJADRN Cc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001461731160 1067927000 /nfs/dbraw/zinc/92/70/00/1067927000.db2.gz WSUOTHUMHCMJIS-ZEQRLZLVSA-N 0 0 454.636 4.646 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)c12 ZINC001461735204 1067927357 /nfs/dbraw/zinc/92/73/57/1067927357.db2.gz LEXPYCVSJWUTLW-DEOSSOPVSA-N 0 0 454.527 4.565 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001461734811 1067927462 /nfs/dbraw/zinc/92/74/62/1067927462.db2.gz GCTOWNKWGHLUJP-IITNATTFSA-N 0 0 452.595 4.793 20 0 JJADRN Cc1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)nn1-c1ccc(Br)cc1 ZINC001461738831 1067928098 /nfs/dbraw/zinc/92/80/98/1067928098.db2.gz MGPUGVSQZALFMV-CMDGGOBGSA-N 0 0 456.325 4.810 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC001461739017 1067928186 /nfs/dbraw/zinc/92/81/86/1067928186.db2.gz PFWFNIVFAXOKGU-UHFFFAOYSA-N 0 0 452.555 4.734 20 0 JJADRN COc1cccc([C@@H](CNC(=O)c2csc(-c3cc(Br)cs3)n2)OC)c1 ZINC001461739514 1067928438 /nfs/dbraw/zinc/92/84/38/1067928438.db2.gz ARZBZQYHQOKKLG-OAHLLOKOSA-N 0 0 453.383 4.760 20 0 JJADRN Cc1cccc2c1C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)CO2 ZINC001461740740 1067928445 /nfs/dbraw/zinc/92/84/45/1067928445.db2.gz CLPHSINKHFKNFZ-TXBYWVTISA-N 0 0 458.961 4.596 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc2)cc1 ZINC001461740342 1067928459 /nfs/dbraw/zinc/92/84/59/1067928459.db2.gz RQUWBRXNYCSDNB-DEOSSOPVSA-N 0 0 456.590 4.529 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc2)cc1 ZINC001461740350 1067928510 /nfs/dbraw/zinc/92/85/10/1067928510.db2.gz RQUWBRXNYCSDNB-XMMPIXPASA-N 0 0 456.590 4.529 20 0 JJADRN Cc1cccc2c1C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)CO2 ZINC001461740732 1067928543 /nfs/dbraw/zinc/92/85/43/1067928543.db2.gz CLPHSINKHFKNFZ-PRCFCKQXSA-N 0 0 458.961 4.596 20 0 JJADRN CC[C@@H]1CCC[C@H](C)N1C(=O)Cc1cc(Br)cc(I)c1 ZINC001461741561 1067928907 /nfs/dbraw/zinc/92/89/07/1067928907.db2.gz KMMALDGTUFLSNG-XHDPSFHLSA-N 0 0 450.158 4.776 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1 ZINC001461741515 1067928914 /nfs/dbraw/zinc/92/89/14/1067928914.db2.gz WRXUKLDFIHGGQJ-HJWRWDBZSA-N 0 0 456.325 4.810 20 0 JJADRN COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccc(-c3cccc(Cl)c3)s2)cc1 ZINC001461747717 1067929913 /nfs/dbraw/zinc/92/99/13/1067929913.db2.gz XNGJUJXTCWXKGM-OAHLLOKOSA-N 0 0 451.013 4.994 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1 ZINC001461748650 1067929924 /nfs/dbraw/zinc/92/99/24/1067929924.db2.gz RKJJHMXLCAMRBR-NSHDSACASA-N 0 0 455.964 4.658 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)NC[C@@]3(c4ccccc4)CC3(C)C)cc2)cc1 ZINC001461759260 1067932182 /nfs/dbraw/zinc/93/21/82/1067932182.db2.gz PUHWFPZDMOQXTG-GDLZYMKVSA-N 0 0 456.586 4.652 20 0 JJADRN COCCOCc1ccc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 ZINC001461765619 1067932742 /nfs/dbraw/zinc/93/27/42/1067932742.db2.gz IFXGIDKQXJFTFB-HXUWFJFHSA-N 0 0 450.398 4.619 20 0 JJADRN O=C(Nc1nc2cc(I)ccc2[nH]1)c1sc2ncccc2c1Cl ZINC001461772404 1067934254 /nfs/dbraw/zinc/93/42/54/1067934254.db2.gz QDHJQMDWEMAABX-UHFFFAOYSA-N 0 0 454.680 4.683 20 0 JJADRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC001461772220 1067934280 /nfs/dbraw/zinc/93/42/80/1067934280.db2.gz OXALYXDPNRJKFI-CQSZACIVSA-N 0 0 455.683 4.617 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001461772796 1067934545 /nfs/dbraw/zinc/93/45/45/1067934545.db2.gz LLELEHNPPXWTBZ-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N3Cc4ccc(C)c(Br)c4C3)CC2=O)cc1 ZINC001461780122 1067936007 /nfs/dbraw/zinc/93/60/07/1067936007.db2.gz VQFNYOVWGFZYLL-LJQANCHMSA-N 0 0 455.396 4.995 20 0 JJADRN COc1cc(Cl)c(F)cc1NCc1cc(I)c(OC)c(OC)c1 ZINC001461781523 1067936044 /nfs/dbraw/zinc/93/60/44/1067936044.db2.gz CVLCHJYMPYYBGZ-UHFFFAOYSA-N 0 0 451.663 4.722 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC001461780154 1067936073 /nfs/dbraw/zinc/93/60/73/1067936073.db2.gz PNSAJYMRCIBREM-IBGZPJMESA-N 0 0 450.297 4.613 20 0 JJADRN COc1cc(CCNC(=O)Cc2c[nH]c3cccc(C)c23)cc(OC)c1OCc1ccccc1 ZINC001461780975 1067936091 /nfs/dbraw/zinc/93/60/91/1067936091.db2.gz YZKAHZUPFCOADA-UHFFFAOYSA-N 0 0 458.558 4.974 20 0 JJADRN COCCCOc1cccc(C(=O)N(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)c1C ZINC001461780817 1067936159 /nfs/dbraw/zinc/93/61/59/1067936159.db2.gz SBVADFJBILRSAL-HXUWFJFHSA-N 0 0 454.350 4.703 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001461780867 1067936164 /nfs/dbraw/zinc/93/61/64/1067936164.db2.gz SFASDSSRBFPYQX-GOSISDBHSA-N 0 0 452.725 4.819 20 0 JJADRN O=C(NCc1ccc(-c2ccccc2)s1)c1ccc2ncc(I)n2c1 ZINC001461781744 1067936575 /nfs/dbraw/zinc/93/65/75/1067936575.db2.gz ZKVMQGPFICBZTK-UHFFFAOYSA-N 0 0 459.312 4.597 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c(F)c1 ZINC001461784068 1067936844 /nfs/dbraw/zinc/93/68/44/1067936844.db2.gz DBBRYNYCEGDMSS-UHFFFAOYSA-N 0 0 455.917 4.650 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(=O)[nH]cc2Br)c1 ZINC001546127060 1067936910 /nfs/dbraw/zinc/93/69/10/1067936910.db2.gz LYQMKSCKTLJJMV-AVRDEDQJSA-N 0 0 453.336 4.929 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc4cccnc4c3Br)CCC2=O)cc1C ZINC001461788567 1067937289 /nfs/dbraw/zinc/93/72/89/1067937289.db2.gz FZJLJLSRROAUOD-QGZVFWFLSA-N 0 0 453.336 4.963 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4cccnc4c3Br)CCC2=O)cc1C ZINC001461788565 1067937303 /nfs/dbraw/zinc/93/73/03/1067937303.db2.gz FZJLJLSRROAUOD-KRWDZBQOSA-N 0 0 453.336 4.963 20 0 JJADRN O=C(NCCc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC001461789660 1067937595 /nfs/dbraw/zinc/93/75/95/1067937595.db2.gz PCVWFBVHFYNWFW-UHFFFAOYSA-N 0 0 453.629 4.936 20 0 JJADRN Cc1cc(NCc2cc(Br)cc(C)c2OC(F)F)ccc1N1CCOCC1=O ZINC001461793250 1067937909 /nfs/dbraw/zinc/93/79/09/1067937909.db2.gz IMYBGOJVQUHIAO-UHFFFAOYSA-N 0 0 455.299 4.643 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(S(=O)(=O)N(C)C)c(C)c2)o1 ZINC001461792468 1067937917 /nfs/dbraw/zinc/93/79/17/1067937917.db2.gz QUNXEYVDBCGGPD-UHFFFAOYSA-N 0 0 450.564 4.612 20 0 JJADRN CCn1c(Br)c(Br)nc1CNc1cccc2c1OC(C)(C)C[C@@H]2O ZINC001461800400 1067939069 /nfs/dbraw/zinc/93/90/69/1067939069.db2.gz WOOLPVPBDWGCNJ-LBPRGKRZSA-N 0 0 459.182 4.635 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)n1 ZINC001461803052 1067939340 /nfs/dbraw/zinc/93/93/40/1067939340.db2.gz FOSFJUWQNCUCCK-UHFFFAOYSA-N 0 0 451.571 4.695 20 0 JJADRN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001461803173 1067939359 /nfs/dbraw/zinc/93/93/59/1067939359.db2.gz CWKKXZREWUBOHT-DVECYGJZSA-N 0 0 453.926 4.909 20 0 JJADRN CCCc1c(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)cnn1-c1ccc(C)cc1 ZINC001461803871 1067939758 /nfs/dbraw/zinc/93/97/58/1067939758.db2.gz JIQUZZGMLMZOKY-UHFFFAOYSA-N 0 0 451.571 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNCc3ccc(Br)cc3F)sc2C1 ZINC001461809558 1067940368 /nfs/dbraw/zinc/94/03/68/1067940368.db2.gz GPMGSLOKDVPARL-UHFFFAOYSA-N 0 0 456.381 4.628 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)CCN1C(=O)OC(C)(C)C ZINC001461812465 1067940763 /nfs/dbraw/zinc/94/07/63/1067940763.db2.gz JERBLZZMFKEAPW-NUEKZKHPSA-N 0 0 453.377 4.599 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c2ccc(Br)cc2O1 ZINC001461813029 1067940995 /nfs/dbraw/zinc/94/09/95/1067940995.db2.gz KMHFLRCGERWWAE-HNNXBMFYSA-N 0 0 457.368 4.683 20 0 JJADRN Cn1ccnc1[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccc(F)c(F)c1 ZINC001461818053 1067941713 /nfs/dbraw/zinc/94/17/13/1067941713.db2.gz YBDSVYAJIDRVJU-KRWDZBQOSA-N 0 0 458.253 4.941 20 0 JJADRN COc1cc(CNCc2ncccc2Br)cc(Br)c1OC(F)F ZINC001461817552 1067941755 /nfs/dbraw/zinc/94/17/55/1067941755.db2.gz BIFATKVFVCJLFN-UHFFFAOYSA-N 0 0 452.093 4.506 20 0 JJADRN Cc1ncc(NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1Br ZINC001461823969 1067942146 /nfs/dbraw/zinc/94/21/46/1067942146.db2.gz DQNOGCBJAXJGIK-HNNXBMFYSA-N 0 0 450.377 4.916 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)O[C@H](c3cccc(OC)n3)C(F)(F)F)CC2=O)cc1 ZINC001461824630 1067942394 /nfs/dbraw/zinc/94/23/94/1067942394.db2.gz ABPDKHMWJPQTKA-IIBYNOLFSA-N 0 0 450.457 4.633 20 0 JJADRN CCOC(=O)c1nc(NC(=O)CCCSc2ccc(OC)cc2)sc1Br ZINC001461824309 1067942442 /nfs/dbraw/zinc/94/24/42/1067942442.db2.gz ABBBIMIWXJCNSF-UHFFFAOYSA-N 0 0 459.387 4.602 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)sc1Br ZINC001461825109 1067942529 /nfs/dbraw/zinc/94/25/29/1067942529.db2.gz GNOUFXKGAXUJPT-UHFFFAOYSA-N 0 0 459.190 4.632 20 0 JJADRN CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)sc1Br ZINC001461824589 1067942583 /nfs/dbraw/zinc/94/25/83/1067942583.db2.gz DWLANERAGWKGET-WDEREUQCSA-N 0 0 474.174 4.587 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)sc1Br ZINC001461826780 1067942813 /nfs/dbraw/zinc/94/28/13/1067942813.db2.gz MTPNNQYABOQYFM-UHFFFAOYSA-N 0 0 459.190 4.632 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)O[C@@H](c2cccc(OC)n2)C(F)(F)F)CC1=O ZINC001461829022 1067942836 /nfs/dbraw/zinc/94/28/36/1067942836.db2.gz HTLUILOCFOUGQV-GXZWQRSESA-N 0 0 450.457 4.803 20 0 JJADRN CSCCCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1cccnc1 ZINC001461832315 1067943773 /nfs/dbraw/zinc/94/37/73/1067943773.db2.gz IVCITPFNZKXVFG-WOJBJXKFSA-N 0 0 455.624 4.650 20 0 JJADRN COC(=O)c1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)CC(C)C)n(-c2ccccc2)n1 ZINC001461835744 1067944061 /nfs/dbraw/zinc/94/40/61/1067944061.db2.gz PFCUNZZMJYDABG-UHFFFAOYSA-N 0 0 459.468 4.976 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cc2)C1 ZINC001461839013 1067944597 /nfs/dbraw/zinc/94/45/97/1067944597.db2.gz LPDDGAKUHJVXRR-KBPBESRZSA-N 0 0 458.477 4.763 20 0 JJADRN O[C@](CNCc1csc(-c2ccc3c(c2)OCO3)n1)(c1ccccc1Cl)C(F)(F)F ZINC001461836563 1067944610 /nfs/dbraw/zinc/94/46/10/1067944610.db2.gz GKPPPFWVVSLAJD-LJQANCHMSA-N 0 0 456.873 4.732 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(Cc3cc(-c4ccncc4)ccc3OC)CC2)cs1 ZINC001461840074 1067944882 /nfs/dbraw/zinc/94/48/82/1067944882.db2.gz BUCZBCUKCSRJMH-LJQANCHMSA-N 0 0 452.624 4.629 20 0 JJADRN Cc1cccn2cc(COc3ccc(C(=O)NCc4cc(F)ccc4OC(F)F)cc3)nc12 ZINC001461846307 1067945854 /nfs/dbraw/zinc/94/58/54/1067945854.db2.gz NCKQHUBTOIJUMY-UHFFFAOYSA-N 0 0 455.436 4.892 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C2 ZINC001461850085 1067946499 /nfs/dbraw/zinc/94/64/99/1067946499.db2.gz DEOKVXYKEHEINR-UHFFFAOYSA-N 0 0 454.308 4.898 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1csc(-c3cccs3)n1)C2 ZINC001461851851 1067946984 /nfs/dbraw/zinc/94/69/84/1067946984.db2.gz JZCNASZDVVVBIN-UHFFFAOYSA-N 0 0 455.380 4.638 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(SC)c(Br)c2)c1 ZINC001461852194 1067947079 /nfs/dbraw/zinc/94/70/79/1067947079.db2.gz AKPPEEQKAREDHI-UHFFFAOYSA-N 0 0 459.159 4.972 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)c(Br)cc2F)CC1=O ZINC001461852394 1067947173 /nfs/dbraw/zinc/94/71/73/1067947173.db2.gz CWIVKQICQXANNU-LLVKDONJSA-N 0 0 455.711 4.632 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cc(Cl)c(Br)cc3F)CCC2=O)c1 ZINC001461853618 1067947673 /nfs/dbraw/zinc/94/76/73/1067947673.db2.gz ITIRNXHNPJUJBM-UHFFFAOYSA-N 0 0 452.711 4.980 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cc(Cl)c(Br)cc1F)NC(C)=O ZINC001461855590 1067948106 /nfs/dbraw/zinc/94/81/06/1067948106.db2.gz PTVKOHPXUUXJNO-INIZCTEOSA-N 0 0 457.727 4.846 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c(OCCCOC)c1 ZINC001461857900 1067948801 /nfs/dbraw/zinc/94/88/01/1067948801.db2.gz ZHFPHSLDOJIEIO-UHFFFAOYSA-N 0 0 451.563 4.971 20 0 JJADRN Cc1cc(C)c(/C=C\CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1 ZINC001461857536 1067948838 /nfs/dbraw/zinc/94/88/38/1067948838.db2.gz KDHHDLANNYQCHF-PLNGDYQASA-N 0 0 453.435 4.938 20 0 JJADRN O=C(Nc1ccc2ccc(Cl)nc2n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001461863807 1067950133 /nfs/dbraw/zinc/95/01/33/1067950133.db2.gz IADWBBXRQKRBLJ-UHFFFAOYSA-N 0 0 450.347 4.662 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)c1nccc2c(Br)cccc21)c1ccccc1 ZINC001461867894 1067950818 /nfs/dbraw/zinc/95/08/18/1067950818.db2.gz KDNKDKBWNCVKII-HSZRJFAPSA-N 0 0 455.352 4.984 20 0 JJADRN Cc1ccc(CC(=O)N2[C@@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461870151 1067951404 /nfs/dbraw/zinc/95/14/04/1067951404.db2.gz SDRMLZJAGCMOLG-RYRKJORJSA-N 0 0 453.421 4.840 20 0 JJADRN O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001461872042 1067951817 /nfs/dbraw/zinc/95/18/17/1067951817.db2.gz ZBMVQVYVPDLGJF-NSHDSACASA-N 0 0 451.310 4.643 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCC[C@H]1Cc1cccc(OC)c1 ZINC001461873913 1067952134 /nfs/dbraw/zinc/95/21/34/1067952134.db2.gz LPNKZLGJRJUZFD-AWEZNQCLSA-N 0 0 457.210 4.644 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1nnn(-c2ccc(F)cc2)c1C ZINC001461873255 1067952137 /nfs/dbraw/zinc/95/21/37/1067952137.db2.gz ZHXKWUCETQHCAV-UHFFFAOYSA-N 0 0 452.490 4.594 20 0 JJADRN O=C(Nc1cnc(Br)c2ccccc12)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001461872879 1067952177 /nfs/dbraw/zinc/95/21/77/1067952177.db2.gz PKRWUEAOJPWGMG-UHFFFAOYSA-N 0 0 458.209 4.924 20 0 JJADRN O=C(Nc1cnc(Br)c2ccccc12)c1cccc(I)c1 ZINC001461876788 1067952892 /nfs/dbraw/zinc/95/28/92/1067952892.db2.gz ZBJWKEMILCORST-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN O=C(OCc1ccc(O[C@@H]2CCOC2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001461876893 1067952925 /nfs/dbraw/zinc/95/29/25/1067952925.db2.gz YGYVRPWSSWHVJP-GOSISDBHSA-N 0 0 450.388 4.555 20 0 JJADRN COc1ccc(Br)c(C(=O)N2[C@@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461878299 1067952936 /nfs/dbraw/zinc/95/29/36/1067952936.db2.gz QXRDJADASBXZDQ-KKUMJFAQSA-N 0 0 455.393 4.612 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2[C@@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC001461880255 1067953213 /nfs/dbraw/zinc/95/32/13/1067953213.db2.gz ZNIHHYAAPPOAOQ-IKGGRYGDSA-N 0 0 459.612 4.973 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1c2c(nn1C)CCCC2 ZINC001461880912 1067953698 /nfs/dbraw/zinc/95/36/98/1067953698.db2.gz GYHFQQHSOWQNOY-AWEZNQCLSA-N 0 0 451.352 4.501 20 0 JJADRN COc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001461884302 1067954238 /nfs/dbraw/zinc/95/42/38/1067954238.db2.gz SIRZLJYJIGOKSS-SNVBAGLBSA-N 0 0 458.139 4.756 20 0 JJADRN COc1cc(Br)ccc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001461889253 1067954926 /nfs/dbraw/zinc/95/49/26/1067954926.db2.gz NDSJDCWFNJZRKN-OAQYLSRUSA-N 0 0 451.320 4.794 20 0 JJADRN COc1cccc(CN2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001461887122 1067955033 /nfs/dbraw/zinc/95/50/33/1067955033.db2.gz IUGHZOXMYNQLAV-UHFFFAOYSA-N 0 0 458.425 4.899 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)Nc3csc(C)c3)nnc2-c2ccncc2)cc1 ZINC001461890043 1067955322 /nfs/dbraw/zinc/95/53/22/1067955322.db2.gz NXSWQOZLPPYEKK-UHFFFAOYSA-N 0 0 451.577 4.829 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001461892325 1067955804 /nfs/dbraw/zinc/95/58/04/1067955804.db2.gz KIBKJSTWHIXZQG-UHFFFAOYSA-N 0 0 453.489 4.525 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccccc1C(=O)OC(C)(C)C ZINC001461894090 1067956339 /nfs/dbraw/zinc/95/63/39/1067956339.db2.gz BJMKFEYBNPEABE-CYBMUJFWSA-N 0 0 452.320 4.627 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001461898469 1067957126 /nfs/dbraw/zinc/95/71/26/1067957126.db2.gz GJJPKGHMQUULPT-WWMYMODYSA-N 0 0 455.860 4.633 20 0 JJADRN COc1ccc(OC(=O)Cc2coc3c2ccc(OC)c3C)cc1I ZINC001461901390 1067957896 /nfs/dbraw/zinc/95/78/96/1067957896.db2.gz QGJLWICGYHBBST-UHFFFAOYSA-N 0 0 452.244 4.511 20 0 JJADRN CCOc1ccc(Oc2c(CN3CCN(CC(F)F)CC3)c(C)nn2-c2ccccc2)cc1 ZINC001461901796 1067958035 /nfs/dbraw/zinc/95/80/35/1067958035.db2.gz VURANMMYEBTKAQ-UHFFFAOYSA-N 0 0 456.537 4.754 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCC2([C@@H]3CCCCO3)CCC2)C1 ZINC001461902077 1067958586 /nfs/dbraw/zinc/95/85/86/1067958586.db2.gz LAFDMTUYPOLHQY-ZLNRFVROSA-N 0 0 456.627 4.568 20 0 JJADRN CC1CCC(OCC(=O)Nc2cc(Br)cc(I)c2)CC1 ZINC001461906526 1067958725 /nfs/dbraw/zinc/95/87/25/1067958725.db2.gz WQWCCILRCPYYMX-UHFFFAOYSA-N 0 0 452.130 4.588 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC001461905135 1067958900 /nfs/dbraw/zinc/95/89/00/1067958900.db2.gz UOAAMZSETDBEPV-QGZVFWFLSA-N 0 0 457.333 4.843 20 0 JJADRN O=C(Nc1cc(Br)cc(I)c1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001461907268 1067958921 /nfs/dbraw/zinc/95/89/21/1067958921.db2.gz YECCJNMOYAHENZ-OWCLPIDISA-N 0 0 454.105 4.578 20 0 JJADRN COc1cccc(COc2ccc(CN3CCN(C(=O)c4c(F)cccc4F)CC3)cc2)c1 ZINC001461912345 1067960011 /nfs/dbraw/zinc/96/00/11/1067960011.db2.gz RILACGMYZNBFQR-UHFFFAOYSA-N 0 0 452.501 4.510 20 0 JJADRN C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001461920807 1067961329 /nfs/dbraw/zinc/96/13/29/1067961329.db2.gz VFLYIFCBHXRJMX-UHFFFAOYSA-N 0 0 453.420 4.636 20 0 JJADRN COc1cc(Cl)c(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)cc1OC ZINC001461920649 1067961363 /nfs/dbraw/zinc/96/13/63/1067961363.db2.gz RLSIXOAIETZURY-UHFFFAOYSA-N 0 0 457.771 4.577 20 0 JJADRN O=C(CC1CCC2(CC1)OCCO2)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001461921704 1067961433 /nfs/dbraw/zinc/96/14/33/1067961433.db2.gz ZOHDAJJZROUVRS-UHFFFAOYSA-N 0 0 450.457 4.832 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nc(COc3ccccc3)cs2)CC[C@@H]1c1ccc(C)o1 ZINC001461922329 1067961789 /nfs/dbraw/zinc/96/17/89/1067961789.db2.gz TUAVVXPHIRYQKJ-RTBURBONSA-N 0 0 455.536 4.924 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2cc(C)on2)CCOCC1 ZINC001546128119 1067961891 /nfs/dbraw/zinc/96/18/91/1067961891.db2.gz PULHTXJEWJETDN-UHFFFAOYSA-N 0 0 474.403 4.847 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc2ccccc21 ZINC001461922500 1067961919 /nfs/dbraw/zinc/96/19/19/1067961919.db2.gz UFFHWMNTWZWIBX-IBGZPJMESA-N 0 0 452.982 4.922 20 0 JJADRN CCOc1ccc(Cl)cc1CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461922050 1067961952 /nfs/dbraw/zinc/96/19/52/1067961952.db2.gz SFXYVGFNZRLZPV-KRWDZBQOSA-N 0 0 451.394 4.812 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CCN(c4ccccc4Cl)CC3)cs2)cc1 ZINC001461923950 1067962356 /nfs/dbraw/zinc/96/23/56/1067962356.db2.gz YKXPFBBOWQGZCN-UHFFFAOYSA-N 0 0 456.999 4.812 20 0 JJADRN O=C(CN1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccccc1F ZINC001461929024 1067962941 /nfs/dbraw/zinc/96/29/41/1067962941.db2.gz VTTSUCXOEYMNIB-TWGQIWQCSA-N 0 0 459.565 4.674 20 0 JJADRN CN(C)c1cc(Cl)cc(Cl)c1CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461934355 1067964167 /nfs/dbraw/zinc/96/41/67/1067964167.db2.gz JDPUIFRWVRYQPG-OAHLLOKOSA-N 0 0 451.316 4.950 20 0 JJADRN O=C(Oc1cccc(OC(F)(F)F)c1Br)c1ccc2nnc(C(F)F)n2c1 ZINC001461937979 1067964491 /nfs/dbraw/zinc/96/44/91/1067964491.db2.gz RUKDJARIGSFPCU-UHFFFAOYSA-N 0 0 452.133 4.547 20 0 JJADRN C[C@H]1COCCN1c1ccc(NC(=O)Cc2c(F)ccc(Br)c2F)cc1Cl ZINC001461939375 1067964902 /nfs/dbraw/zinc/96/49/02/1067964902.db2.gz NPAUNDULMHHALX-NSHDSACASA-N 0 0 459.718 4.787 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOC[C@H]4C)c(Cl)c3)CCC2=O)cc1C ZINC001461941091 1067965289 /nfs/dbraw/zinc/96/52/89/1067965289.db2.gz PBSAKZXYAIJKRM-MOPGFXCFSA-N 0 0 455.986 4.564 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)CCC1 ZINC001546128259 1067966015 /nfs/dbraw/zinc/96/60/15/1067966015.db2.gz VITTUUCWVRBFHG-UHFFFAOYSA-N 0 0 495.487 4.691 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCN(CCCc3c(Cl)cccc3Cl)CC2)cc1 ZINC001461945720 1067966400 /nfs/dbraw/zinc/96/64/00/1067966400.db2.gz QKSUEMCTIHGDRQ-UHFFFAOYSA-N 0 0 455.451 4.885 20 0 JJADRN COCc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1OC ZINC001461946302 1067966403 /nfs/dbraw/zinc/96/64/03/1067966403.db2.gz YKSDKSYGSIXEIO-UHFFFAOYSA-N 0 0 457.264 4.616 20 0 JJADRN O=C(Oc1cc(Cl)cnc1I)c1cc2c(ccnc2Cl)s1 ZINC001461945960 1067966439 /nfs/dbraw/zinc/96/64/39/1067966439.db2.gz KGBCJLSXBYBFPX-UHFFFAOYSA-N 0 0 451.072 4.822 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N3C[C@]4(C)CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)ccc2c1 ZINC001461947018 1067966792 /nfs/dbraw/zinc/96/67/92/1067966792.db2.gz QBOZVJQYCXXKSE-ZMRGIBKGSA-N 0 0 450.579 4.967 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 ZINC001461950730 1067967418 /nfs/dbraw/zinc/96/74/18/1067967418.db2.gz GURMNCSWZJOZPD-UHFFFAOYSA-N 0 0 457.361 4.522 20 0 JJADRN CC(C)(C)OC(=O)N(CCN1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)(C)C ZINC001461949474 1067967610 /nfs/dbraw/zinc/96/76/10/1067967610.db2.gz MLDPADFIIITOCR-UHFFFAOYSA-N 0 0 458.672 4.963 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3COCC3(C)C)n2-c2ccccc2)cc1 ZINC001461954898 1067968272 /nfs/dbraw/zinc/96/82/72/1067968272.db2.gz NBFYWPGXQQBJEZ-UHFFFAOYSA-N 0 0 450.608 4.919 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461955297 1067968317 /nfs/dbraw/zinc/96/83/17/1067968317.db2.gz NAZPFOFRVQYLKM-QFIPXVFZSA-N 0 0 453.583 4.631 20 0 JJADRN Cc1ccc(C)c(N(C(=O)/C=C\c2ccc(I)o2)C2CCOCC2)c1 ZINC001461954759 1067968351 /nfs/dbraw/zinc/96/83/51/1067968351.db2.gz CDAWSYPOQLHNNV-VURMDHGXSA-N 0 0 451.304 4.726 20 0 JJADRN CCCCN(C(=O)c1cc(Br)ccc1I)c1ccccn1 ZINC001461959545 1067969362 /nfs/dbraw/zinc/96/93/62/1067969362.db2.gz SBMCVYFARAYFJT-UHFFFAOYSA-N 0 0 459.125 4.896 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001461962124 1067969717 /nfs/dbraw/zinc/96/97/17/1067969717.db2.gz LRHQNVQKDCELTC-WBMJQRKESA-N 0 0 453.461 4.797 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)c1cccc(N(C)C)c1 ZINC001461964198 1067970521 /nfs/dbraw/zinc/97/05/21/1067970521.db2.gz AFHIWGNIBULCKG-UHFFFAOYSA-N 0 0 459.125 4.680 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC001461965654 1067970524 /nfs/dbraw/zinc/97/05/24/1067970524.db2.gz UJWQNVJJYCGAOZ-KRWDZBQOSA-N 0 0 457.571 4.510 20 0 JJADRN COC(=O)c1ccc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)c(C(F)(F)F)c1 ZINC001461965566 1067970536 /nfs/dbraw/zinc/97/05/36/1067970536.db2.gz REFLYIAKWFJDED-UHFFFAOYSA-N 0 0 456.464 4.603 20 0 JJADRN CCc1nc([C@H]2CCCCN2Cc2cc(Br)c([C@H](C)OCOC)cc2F)no1 ZINC001461967211 1067970936 /nfs/dbraw/zinc/97/09/36/1067970936.db2.gz AWNRJTBZRZKLNK-SCLBCKFNSA-N 0 0 456.356 4.942 20 0 JJADRN CCc1nc([C@@H]2CCCCN2Cc2cc(Br)c([C@@H](C)OCOC)cc2F)no1 ZINC001461967198 1067970979 /nfs/dbraw/zinc/97/09/79/1067970979.db2.gz AWNRJTBZRZKLNK-ACJLOTCBSA-N 0 0 456.356 4.942 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc2c(s1)c(Br)ccc2F ZINC001461969544 1067971432 /nfs/dbraw/zinc/97/14/32/1067971432.db2.gz XGSUDTKUULEWKJ-UHFFFAOYSA-N 0 0 455.259 4.773 20 0 JJADRN CN(Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001461971756 1067972395 /nfs/dbraw/zinc/97/23/95/1067972395.db2.gz VNSZQODGMFKULE-OAQYLSRUSA-N 0 0 455.624 4.669 20 0 JJADRN CC1(C)CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)c2c1cccc2Br ZINC001461972004 1067972606 /nfs/dbraw/zinc/97/26/06/1067972606.db2.gz FPIRDFFPDICUBQ-MRXNPFEDSA-N 0 0 451.158 4.840 20 0 JJADRN O=C(CS(=O)(=O)Cc1cccc(Br)c1)O[C@H]1CCCc2ccc(Cl)cc21 ZINC001461974467 1067973034 /nfs/dbraw/zinc/97/30/34/1067973034.db2.gz VZHPQXYUMVASTF-SFHVURJKSA-N 0 0 457.773 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)C1 ZINC001461978448 1067974072 /nfs/dbraw/zinc/97/40/72/1067974072.db2.gz BQKYZHUNNJMFNZ-SGNDLWITSA-N 0 0 456.627 4.520 20 0 JJADRN O=C(NCc1csc(C(F)(F)F)c1)C1(c2ccc(I)cc2)CC1 ZINC001461982053 1067974409 /nfs/dbraw/zinc/97/44/09/1067974409.db2.gz RBKYSFKVNIDINX-UHFFFAOYSA-N 0 0 451.251 4.720 20 0 JJADRN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@@H](CCc1ccccc1)C(F)F ZINC001461983371 1067974745 /nfs/dbraw/zinc/97/47/45/1067974745.db2.gz ZJLJYDQTUHLKML-NRFANRHFSA-N 0 0 450.476 4.542 20 0 JJADRN C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001461985642 1067975491 /nfs/dbraw/zinc/97/54/91/1067975491.db2.gz FHRJRKOJVFBXQY-CHWSQXEVSA-N 0 0 455.422 4.730 20 0 JJADRN CC(=O)N(c1nc(CN[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cs1)c1ccccc1 ZINC001461992360 1067976640 /nfs/dbraw/zinc/97/66/40/1067976640.db2.gz MFGCTRJGNCXFFZ-JOCHJYFZSA-N 0 0 451.592 4.870 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cs1)c1ccccc1 ZINC001461995273 1067977098 /nfs/dbraw/zinc/97/70/98/1067977098.db2.gz NVCVVZPVBDWEEA-HXUWFJFHSA-N 0 0 458.946 4.515 20 0 JJADRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1 ZINC001462000769 1067977998 /nfs/dbraw/zinc/97/79/98/1067977998.db2.gz SAXWNRSMKLSTRK-UHFFFAOYSA-N 0 0 452.576 4.736 20 0 JJADRN C[C@H](c1ccccc1)N1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC001461999809 1067978014 /nfs/dbraw/zinc/97/80/14/1067978014.db2.gz RKKJGVBHBUKTKL-HSZRJFAPSA-N 0 0 455.602 4.578 20 0 JJADRN COCCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC001462006696 1067979071 /nfs/dbraw/zinc/97/90/71/1067979071.db2.gz AWWYPYDUZLCSKS-UWUNEBHHSA-N 0 0 451.350 4.678 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)NC3(CNC(=O)OC(C)(C)C)CCOCC3)c(F)c2)cc1C ZINC001462009883 1067979577 /nfs/dbraw/zinc/97/95/77/1067979577.db2.gz BHDCMDWNZGKXAK-UHFFFAOYSA-N 0 0 456.558 4.913 20 0 JJADRN CCN1c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2OCC(C)(C)C1=O ZINC001462012788 1067980358 /nfs/dbraw/zinc/98/03/58/1067980358.db2.gz XKCYSSFCGHOQRD-UHFFFAOYSA-N 0 0 452.736 4.521 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001462014060 1067980930 /nfs/dbraw/zinc/98/09/30/1067980930.db2.gz LLRLALDKZGAMTQ-FHLIZLRMSA-N 0 0 453.149 4.895 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC001462014058 1067980941 /nfs/dbraw/zinc/98/09/41/1067980941.db2.gz LLRLALDKZGAMTQ-BMGDILEWSA-N 0 0 453.149 4.895 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001462015124 1067981396 /nfs/dbraw/zinc/98/13/96/1067981396.db2.gz SLKOGVJHDTYBCL-LPHOPBHVSA-N 0 0 452.364 4.713 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 ZINC001462015934 1067981455 /nfs/dbraw/zinc/98/14/55/1067981455.db2.gz HGTQRRBXHCQMFS-OAQYLSRUSA-N 0 0 458.986 4.662 20 0 JJADRN CO[C@H](CN1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1)C1CCCCC1 ZINC001462018873 1067982293 /nfs/dbraw/zinc/98/22/93/1067982293.db2.gz POCLFMBWADPXLO-HSZRJFAPSA-N 0 0 450.689 4.503 20 0 JJADRN Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC001462019983 1067982379 /nfs/dbraw/zinc/98/23/79/1067982379.db2.gz JCVDAXVJFOAPIX-OAQYLSRUSA-N 0 0 452.982 4.582 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001462018670 1067982459 /nfs/dbraw/zinc/98/24/59/1067982459.db2.gz OOEPMXBUJIPQAC-UHFFFAOYSA-N 0 0 453.023 4.900 20 0 JJADRN O=C(NCCc1ccccc1OCc1ccccc1)C1(c2ccc(F)cc2F)CCOCC1 ZINC001462020883 1067982835 /nfs/dbraw/zinc/98/28/35/1067982835.db2.gz IIQJHCYMMZUQHG-UHFFFAOYSA-N 0 0 451.513 4.951 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001462020756 1067982909 /nfs/dbraw/zinc/98/29/09/1067982909.db2.gz USNPQFWBEMUCTE-UHFFFAOYSA-N 0 0 453.313 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(NCc3cn4ccnc4s3)c2)CC1 ZINC001462023353 1067983215 /nfs/dbraw/zinc/98/32/15/1067983215.db2.gz LUHUBIZVHCVDBY-UHFFFAOYSA-N 0 0 456.568 4.564 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c1 ZINC001462022713 1067983246 /nfs/dbraw/zinc/98/32/46/1067983246.db2.gz WHOQZDARBGKFPN-OAQYLSRUSA-N 0 0 459.999 4.659 20 0 JJADRN CCOC(=O)c1ccc(-c2ccc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)o2)cc1 ZINC001462027152 1067984212 /nfs/dbraw/zinc/98/42/12/1067984212.db2.gz ACOWIQVWTKEOPB-UHFFFAOYSA-N 0 0 450.510 4.787 20 0 JJADRN O=C(NCCc1ccccc1OCc1ccccc1)c1cnn2cccc(Br)c12 ZINC001462029520 1067984414 /nfs/dbraw/zinc/98/44/14/1067984414.db2.gz JSTYRROQDVVQJZ-UHFFFAOYSA-N 0 0 450.336 4.648 20 0 JJADRN CCOc1cc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1OC(=O)CC ZINC001462029678 1067984524 /nfs/dbraw/zinc/98/45/24/1067984524.db2.gz CLQDMQOQWOPTDD-UHFFFAOYSA-N 0 0 450.501 4.737 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nnc(-c2c(Cl)cccc2Cl)s1 ZINC001462028723 1067984650 /nfs/dbraw/zinc/98/46/50/1067984650.db2.gz LCESRJAIAADALT-UHFFFAOYSA-N 0 0 453.326 4.800 20 0 JJADRN O=C(CSc1cccc(Br)c1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC001462033104 1067984994 /nfs/dbraw/zinc/98/49/94/1067984994.db2.gz OTHZLZQEEGNKJV-BMGDILEWSA-N 0 0 453.199 4.758 20 0 JJADRN Cc1ccc(-c2ccccc2CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(C)c1 ZINC001462040542 1067987313 /nfs/dbraw/zinc/98/73/13/1067987313.db2.gz OAFDAWLYCHGBGP-UHFFFAOYSA-N 0 0 456.558 4.755 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001462052958 1067991375 /nfs/dbraw/zinc/99/13/75/1067991375.db2.gz XCPNHWOLZYWQKA-QGZVFWFLSA-N 0 0 453.612 4.786 20 0 JJADRN O=C(NCc1ccccc1)C1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001462056858 1067992848 /nfs/dbraw/zinc/99/28/48/1067992848.db2.gz WKCZKYJLTLMQJW-UHFFFAOYSA-N 0 0 453.327 4.579 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@@H](c3ccncc3)C3CCCCC3)cc2F)n1 ZINC001462067703 1067995727 /nfs/dbraw/zinc/99/57/27/1067995727.db2.gz GHNOIQIJRRRDLU-HSZRJFAPSA-N 0 0 450.514 4.886 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001462071839 1067996172 /nfs/dbraw/zinc/99/61/72/1067996172.db2.gz ZWJGAIGWEDABGV-KRWDZBQOSA-N 0 0 456.384 4.524 20 0 JJADRN CCOC(=O)COc1cccc(N[C@H](C)CCc2ccc(I)cc2)c1 ZINC001462071964 1067996190 /nfs/dbraw/zinc/99/61/90/1067996190.db2.gz UFWQMZCITXKARR-OAHLLOKOSA-N 0 0 453.320 4.666 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001462078031 1067997553 /nfs/dbraw/zinc/99/75/53/1067997553.db2.gz AGECXKKKRLPRBD-QGZVFWFLSA-N 0 0 454.402 4.796 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN(C)Cc2ncc(C)c(OC)c2C)cc1Br ZINC001462077320 1067997605 /nfs/dbraw/zinc/99/76/05/1067997605.db2.gz ZXGCQQRWVSIHDM-OAHLLOKOSA-N 0 0 455.368 4.922 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2ccccc2n1CC(F)(F)F ZINC001462086480 1067998941 /nfs/dbraw/zinc/99/89/41/1067998941.db2.gz HHHAWBNGHUQODT-OAHLLOKOSA-N 0 0 453.823 4.531 20 0 JJADRN Cn1cc(-c2nc(C(=O)N3CCC[C@H]3c3ccc(Br)cc3Cl)cs2)cn1 ZINC001462090939 1068000146 /nfs/dbraw/zinc/00/01/46/1068000146.db2.gz HKBIFGWKBXLZCZ-INIZCTEOSA-N 0 0 451.777 4.937 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CCOCC1 ZINC001546129341 1068000559 /nfs/dbraw/zinc/00/05/59/1068000559.db2.gz BVQDHFIENQORTG-ROUUACIJSA-N 0 0 490.670 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN2CCOc3c2cccc3C(C)(C)C)C1 ZINC001462093740 1068001018 /nfs/dbraw/zinc/00/10/18/1068001018.db2.gz JFOIXALHEOMUFA-GOSISDBHSA-N 0 0 455.603 4.547 20 0 JJADRN C[C@H](CN(C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094108 1068001237 /nfs/dbraw/zinc/00/12/37/1068001237.db2.gz HQMURNYJSYGNSD-SECBINFHSA-N 0 0 457.164 4.954 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3(C)C)cc2CN1C(=O)OC(C)(C)C ZINC001462100688 1068002484 /nfs/dbraw/zinc/00/24/84/1068002484.db2.gz ZYRCNMDGKLQEMV-UZLBHIALSA-N 0 0 456.562 4.570 20 0 JJADRN CCC1(CC)Oc2ccc(NC[C@@H](CNC(=O)OC(C)(C)C)Cc3cnn(C)c3C)cc2O1 ZINC001462100514 1068002586 /nfs/dbraw/zinc/00/25/86/1068002586.db2.gz AYGLGUGOHZHCLA-SFHVURJKSA-N 0 0 458.603 4.812 20 0 JJADRN CC(=O)N1CC[C@H](OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c2ccccc21 ZINC001462102341 1068002819 /nfs/dbraw/zinc/00/28/19/1068002819.db2.gz AVBGNEYNWCDTQX-XIKOKIGWSA-N 0 0 452.732 4.911 20 0 JJADRN COc1ccc(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)cc1S(=O)(=O)NC1CCCC1 ZINC001462104317 1068003214 /nfs/dbraw/zinc/00/32/14/1068003214.db2.gz XCWPNTDZRYTHII-VXKWHMMOSA-N 0 0 456.608 4.531 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001462103926 1068003245 /nfs/dbraw/zinc/00/32/45/1068003245.db2.gz MLHHNJJNBQAFCI-UIFIKXQLSA-N 0 0 455.396 4.706 20 0 JJADRN CCc1[nH]c(CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1C(=O)OC ZINC001462102907 1068003329 /nfs/dbraw/zinc/00/33/29/1068003329.db2.gz IMLXMBVJRMFFOO-GOSISDBHSA-N 0 0 459.344 4.513 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)N3C[C@H](c4ccc(Br)cc4)C[C@H]3C)c(C)c12 ZINC001462106850 1068004539 /nfs/dbraw/zinc/00/45/39/1068004539.db2.gz ZCANQHBZFNWZPY-FZKQIMNGSA-N 0 0 455.400 4.603 20 0 JJADRN CC(=O)N1CC[C@H](OC(=O)c2cc(Br)ccc2Br)c2ccccc21 ZINC001462109126 1068005834 /nfs/dbraw/zinc/00/58/34/1068005834.db2.gz ODEMTWWJVRMQGX-KRWDZBQOSA-N 0 0 453.130 4.866 20 0 JJADRN COC(=O)[C@@H](CC(F)(F)F)NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001462110018 1068006407 /nfs/dbraw/zinc/00/64/07/1068006407.db2.gz GUQBPFXCZNVOMA-GOSISDBHSA-N 0 0 453.461 4.679 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC001462115781 1068007201 /nfs/dbraw/zinc/00/72/01/1068007201.db2.gz WCEKTPWRPWTOMT-XMMPIXPASA-N 0 0 457.357 4.675 20 0 JJADRN CCOc1cc(CN2C[C@H](C)Oc3c(F)cccc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462115852 1068007393 /nfs/dbraw/zinc/00/73/93/1068007393.db2.gz MNAUPGNHKWCWPY-INIZCTEOSA-N 0 0 455.482 4.971 20 0 JJADRN COc1cc(OC)c(NCc2ccc(Br)cc2NC(C)=O)cc1Br ZINC001462121280 1068008899 /nfs/dbraw/zinc/00/88/99/1068008899.db2.gz RTEXVQBJGHZSFM-UHFFFAOYSA-N 0 0 458.150 4.799 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(c3cccc(F)c3C)[C@H]3CCO[C@@H]3C)C2)c1 ZINC001462121764 1068009384 /nfs/dbraw/zinc/00/93/84/1068009384.db2.gz VULAIVYKWOSRQR-CZSZKKDXSA-N 0 0 452.570 4.814 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CC[C@@H]4[C@@H](CCCN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001462123594 1068009956 /nfs/dbraw/zinc/00/99/56/1068009956.db2.gz CDEKLPMLLGGGNC-JXHRLWIKSA-N 0 0 457.615 4.592 20 0 JJADRN Cc1c(F)cccc1N(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCO[C@H]1C ZINC001462122615 1068009968 /nfs/dbraw/zinc/00/99/68/1068009968.db2.gz XVJWOCAWCFSQCE-NMNUPHIUSA-N 0 0 456.558 4.986 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CCC1 ZINC001546129561 1068012002 /nfs/dbraw/zinc/01/20/02/1068012002.db2.gz KNIWUMDBQHRPHM-FQEVSTJZSA-N 0 0 453.631 4.523 20 0 JJADRN CCOc1ccc(N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCOCC3)cc1Br ZINC001462133270 1068012609 /nfs/dbraw/zinc/01/26/09/1068012609.db2.gz XOUGBFDQNUWVRB-QZTJIDSGSA-N 0 0 455.393 4.722 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)c(Cl)ccc2F)c1cccc(Br)c1 ZINC001462135024 1068012797 /nfs/dbraw/zinc/01/27/97/1068012797.db2.gz HTIDFOAWXNDXPO-CYBMUJFWSA-N 0 0 456.724 4.667 20 0 JJADRN CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001462134386 1068013036 /nfs/dbraw/zinc/01/30/36/1068013036.db2.gz ZWKBWAINXWOBFP-HXUWFJFHSA-N 0 0 450.485 4.555 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)N3CCc4cc(C)cc(Br)c4C3)CC2=O)c(C)c1 ZINC001462136500 1068013155 /nfs/dbraw/zinc/01/31/55/1068013155.db2.gz FDLKFBYFEPUINA-IBGZPJMESA-N 0 0 455.396 4.621 20 0 JJADRN COC(=O)c1ccc(Cl)c(CNCc2ccc(I)cc2Cl)c1 ZINC001462137327 1068013228 /nfs/dbraw/zinc/01/32/28/1068013228.db2.gz NUEOFBKRGMSJHP-UHFFFAOYSA-N 0 0 450.103 4.674 20 0 JJADRN CC(C)(C)OC(=O)CCCCNC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001462139071 1068013698 /nfs/dbraw/zinc/01/36/98/1068013698.db2.gz MVJRNVVTUSPZQO-UHFFFAOYSA-N 0 0 459.431 4.805 20 0 JJADRN COc1ccc(SCCC(=O)N2CCc3cc(C)cc(Br)c3C2)cc1OC ZINC001462141860 1068014182 /nfs/dbraw/zinc/01/41/82/1068014182.db2.gz XIGMIRUUPGXPBP-UHFFFAOYSA-N 0 0 450.398 4.842 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)[C@@H](C)Oc1ccccc1Br)C2 ZINC001462141781 1068014264 /nfs/dbraw/zinc/01/42/64/1068014264.db2.gz WLPUYDIXMHUYSV-CYBMUJFWSA-N 0 0 453.174 4.872 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 ZINC001462144751 1068014482 /nfs/dbraw/zinc/01/44/82/1068014482.db2.gz HOGLNKJVWAQFAN-RBUKOAKNSA-N 0 0 463.669 4.756 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462145998 1068014803 /nfs/dbraw/zinc/01/48/03/1068014803.db2.gz LDWWLLMBKBOIMH-VXNXHJTFSA-N 0 0 463.578 4.542 20 0 JJADRN CO[C@H]1CC[C@H](C)N(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001462146131 1068014956 /nfs/dbraw/zinc/01/49/56/1068014956.db2.gz OKQQZSYLTLPTDH-BBRMVZONSA-N 0 0 450.486 4.654 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462149458 1068015867 /nfs/dbraw/zinc/01/58/67/1068015867.db2.gz WAUINBXJROFIQX-VTGPQGOBSA-N 0 0 451.470 4.962 20 0 JJADRN CCOCCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Br)[C@H]1CCc2ccccc21 ZINC001462152354 1068017213 /nfs/dbraw/zinc/01/72/13/1068017213.db2.gz PSIJQGCFBWDSKJ-QRWLVFNGSA-N 0 0 450.348 4.908 20 0 JJADRN Cc1ncc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)cc1C(N)=O ZINC001462153918 1068017620 /nfs/dbraw/zinc/01/76/20/1068017620.db2.gz IQOZUSXNNAIWSP-UHFFFAOYSA-N 0 0 458.349 4.503 20 0 JJADRN O=C(NC[C@@H](n1cncn1)C(F)(F)F)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001462158298 1068018671 /nfs/dbraw/zinc/01/86/71/1068018671.db2.gz PKCWWAAEFXUCFF-SJORKVTESA-N 0 0 459.255 4.625 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC001462163001 1068019867 /nfs/dbraw/zinc/01/98/67/1068019867.db2.gz KENWYEKZCISKFI-SNVBAGLBSA-N 0 0 458.234 4.900 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001546129784 1068020540 /nfs/dbraw/zinc/02/05/40/1068020540.db2.gz TYNSNEGDPVFCAR-IBGZPJMESA-N 0 0 455.603 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001462174327 1068021701 /nfs/dbraw/zinc/02/17/01/1068021701.db2.gz AEWZUAJHCBTSEV-WJFTUGDTSA-N 0 0 463.416 4.629 20 0 JJADRN C[C@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001462179969 1068022657 /nfs/dbraw/zinc/02/26/57/1068022657.db2.gz AXXNGCVBKIFURS-BLLLJJGKSA-N 0 0 454.436 4.786 20 0 JJADRN C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178866 1068022690 /nfs/dbraw/zinc/02/26/90/1068022690.db2.gz GAYUELNPAITMEE-UXHICEINSA-N 0 0 457.590 4.688 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001462179028 1068022842 /nfs/dbraw/zinc/02/28/42/1068022842.db2.gz JSMRHRGTXAXQTQ-GCJKJVERSA-N 0 0 477.305 4.961 20 0 JJADRN COC(=O)c1cnc([C@H](C)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)s1 ZINC001462180710 1068023439 /nfs/dbraw/zinc/02/34/39/1068023439.db2.gz YRXDAJWAFNQRTB-HOCLYGCPSA-N 0 0 453.402 4.743 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCCCCO)CCOCC1 ZINC001546129916 1068024243 /nfs/dbraw/zinc/02/42/43/1068024243.db2.gz YOVNTWOHERVKEX-UHFFFAOYSA-N 0 0 483.426 4.652 20 0 JJADRN COc1ccc(NCc2nc(Cl)ccc2Br)c(I)c1 ZINC001462193188 1068026160 /nfs/dbraw/zinc/02/61/60/1068026160.db2.gz ZINFYMOTXZJVOW-UHFFFAOYSA-N 0 0 453.505 4.723 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)N(C(=O)[C@@H](OC(C)(C)C)c1ccccc1)CCO2 ZINC001462195188 1068026693 /nfs/dbraw/zinc/02/66/93/1068026693.db2.gz KOTFDDQKTSYSOI-QFIPXVFZSA-N 0 0 454.567 4.993 20 0 JJADRN COc1cccc2c1OCC[C@@H]2OC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001462195773 1068026921 /nfs/dbraw/zinc/02/69/21/1068026921.db2.gz LBOLRSRILZBPEH-INIZCTEOSA-N 0 0 453.804 4.629 20 0 JJADRN O=C(Nc1c(Cl)ccc2cnccc21)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001462197991 1068026994 /nfs/dbraw/zinc/02/69/94/1068026994.db2.gz KNLZBVIMVUEJGL-PTNGSMBKSA-N 0 0 455.967 4.539 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCC1 ZINC001546129967 1068027336 /nfs/dbraw/zinc/02/73/36/1068027336.db2.gz ZTKSDPMFVUTPMF-KRWDZBQOSA-N 0 0 451.537 4.607 20 0 JJADRN O=C(Nc1[nH]nc2cnc(Br)cc21)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462200350 1068028220 /nfs/dbraw/zinc/02/82/20/1068028220.db2.gz PTTJBMFPNGBOFC-GOSISDBHSA-N 0 0 459.250 4.757 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCc3cc(F)c(Br)cc3F)C2)cc1 ZINC001462204119 1068028349 /nfs/dbraw/zinc/02/83/49/1068028349.db2.gz PHTVZBPXAOBTOT-HNNXBMFYSA-N 0 0 452.295 4.631 20 0 JJADRN Cn1nc(C(F)(F)F)c(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c1Cl ZINC001462201622 1068028530 /nfs/dbraw/zinc/02/85/30/1068028530.db2.gz FDGDZMITCSIFAN-UHFFFAOYSA-N 0 0 453.848 4.731 20 0 JJADRN Cc1nn(-c2ccccc2F)cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001462202123 1068028625 /nfs/dbraw/zinc/02/86/25/1068028625.db2.gz WXXFZZMNXDGMCS-UHFFFAOYSA-N 0 0 458.335 4.574 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC001462209588 1068029165 /nfs/dbraw/zinc/02/91/65/1068029165.db2.gz PAJGBSQAVNKBQB-UHFFFAOYSA-N 0 0 453.466 4.565 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCc1ccc(OC(F)F)cc1F ZINC001462208819 1068029432 /nfs/dbraw/zinc/02/94/32/1068029432.db2.gz ROCLTJSMOZNGMC-UHFFFAOYSA-N 0 0 451.445 4.984 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2csc(C(F)(F)F)c2)c1 ZINC001462211171 1068029671 /nfs/dbraw/zinc/02/96/71/1068029671.db2.gz RYFBDXLINSCQFG-UHFFFAOYSA-N 0 0 455.479 4.949 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001462212061 1068029843 /nfs/dbraw/zinc/02/98/43/1068029843.db2.gz ZQDKZDMKQXNDGR-GFCCVEGCSA-N 0 0 458.363 4.925 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001462216242 1068030256 /nfs/dbraw/zinc/03/02/56/1068030256.db2.gz PHGDHCXPOMAZPV-MRXNPFEDSA-N 0 0 454.402 4.843 20 0 JJADRN O=C(NCc1ccc(CN2CCNC2=O)cc1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001462218409 1068030787 /nfs/dbraw/zinc/03/07/87/1068030787.db2.gz IVPZNGOXZILRGA-UHFFFAOYSA-N 0 0 453.901 4.727 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001462219736 1068031262 /nfs/dbraw/zinc/03/12/62/1068031262.db2.gz LICCTDUACMRGKM-RBUKOAKNSA-N 0 0 451.510 4.761 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2cccc(I)c2)C1 ZINC001462224429 1068032433 /nfs/dbraw/zinc/03/24/33/1068032433.db2.gz GUHKPMRCMXNULV-LPHOPBHVSA-N 0 0 456.368 4.514 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCC[C@@]3(C)Cc3ccc(F)c(Cl)c3)c2)o1 ZINC001462224922 1068032632 /nfs/dbraw/zinc/03/26/32/1068032632.db2.gz CORLSPSWZGYHGR-DEOSSOPVSA-N 0 0 457.933 4.955 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230090 1068033691 /nfs/dbraw/zinc/03/36/91/1068033691.db2.gz UDKSONPIUIDAFF-NFBKMPQASA-N 0 0 453.583 4.595 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC001462230103 1068033781 /nfs/dbraw/zinc/03/37/81/1068033781.db2.gz UDKSONPIUIDAFF-REWPJTCUSA-N 0 0 453.583 4.595 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001462231661 1068034306 /nfs/dbraw/zinc/03/43/06/1068034306.db2.gz DZACLNWTUQMVIW-QGZVFWFLSA-N 0 0 455.555 4.648 20 0 JJADRN C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462232446 1068034418 /nfs/dbraw/zinc/03/44/18/1068034418.db2.gz AJTIMSPXZACVRO-KRWDZBQOSA-N 0 0 456.583 4.842 20 0 JJADRN CN(C(=O)CSCC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC001462231626 1068034460 /nfs/dbraw/zinc/03/44/60/1068034460.db2.gz YXFJTMPXWHZTAL-QHCPKHFHSA-N 0 0 455.039 4.927 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239814 1068035919 /nfs/dbraw/zinc/03/59/19/1068035919.db2.gz XSBIXUQCYXCCCX-IXCJQBJRSA-N 0 0 458.602 4.695 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CC[C@H](c3ccccc3F)C2(C)C)cc1 ZINC001462242662 1068036347 /nfs/dbraw/zinc/03/63/47/1068036347.db2.gz SUSCRUREPKAWCM-HXUWFJFHSA-N 0 0 454.571 4.610 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001462241693 1068036717 /nfs/dbraw/zinc/03/67/17/1068036717.db2.gz JAMDGBKEXDTLST-CYBMUJFWSA-N 0 0 458.322 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NC[C@@H]2CCC23CCOCC3)CC1 ZINC001462244293 1068036888 /nfs/dbraw/zinc/03/68/88/1068036888.db2.gz PCFKWUSDQRKLAB-QFIPXVFZSA-N 0 0 456.627 4.813 20 0 JJADRN C[C@H](NC(=O)CCc1cccc(F)c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462243984 1068037180 /nfs/dbraw/zinc/03/71/80/1068037180.db2.gz ZXMZATISLNSKAT-AWEZNQCLSA-N 0 0 457.384 4.673 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)NC[C@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC001462251466 1068038403 /nfs/dbraw/zinc/03/84/03/1068038403.db2.gz WKDXMNQYFHWGNO-KRWDZBQOSA-N 0 0 456.633 4.799 20 0 JJADRN Cc1c(I)cc(Br)cc1NC[C@@H]1C[C@@]1(C)Br ZINC001462480433 1068082644 /nfs/dbraw/zinc/08/26/44/1068082644.db2.gz RGLRPAHYBXZOEV-QPUJVOFHSA-N 0 0 458.963 4.948 20 0 JJADRN COCCN(CC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C)C(=O)OC(C)(C)C ZINC001462257799 1068039383 /nfs/dbraw/zinc/03/93/83/1068039383.db2.gz TTYQJTGGNJVREV-GOSISDBHSA-N 0 0 458.521 4.683 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1csc(C(F)(F)F)c1 ZINC001462257415 1068039449 /nfs/dbraw/zinc/03/94/49/1068039449.db2.gz IOZSGNDYGWMEOB-OAHLLOKOSA-N 0 0 452.292 4.884 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@H]2c3ccccc3CN2C)cc1Br ZINC001462256947 1068039710 /nfs/dbraw/zinc/03/97/10/1068039710.db2.gz RZTLLPLQGJJMFW-SFHVURJKSA-N 0 0 452.190 4.691 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001462271758 1068041497 /nfs/dbraw/zinc/04/14/97/1068041497.db2.gz ZAARTFLNKXAFGN-INIZCTEOSA-N 0 0 456.833 4.961 20 0 JJADRN CC(=O)N(c1nc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)cs1)c1ccccc1 ZINC001462276696 1068042346 /nfs/dbraw/zinc/04/23/46/1068042346.db2.gz UYKATGWJWYFPRE-UHFFFAOYSA-N 0 0 456.612 4.803 20 0 JJADRN COC(=O)N1CCN(c2ccc(N[C@@H](C)Cc3ccc(Cl)c(C(F)(F)F)c3)cn2)CC1 ZINC001462276168 1068042473 /nfs/dbraw/zinc/04/24/73/1068042473.db2.gz NYOFAGTUVNFIAZ-AWEZNQCLSA-N 0 0 456.896 4.685 20 0 JJADRN Cc1ccc(-n2c(Cl)c(CN3CCC[C@@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280466 1068042934 /nfs/dbraw/zinc/04/29/34/1068042934.db2.gz BXWVTLVNVFVOEW-AREMUKBSSA-N 0 0 453.030 4.717 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001462281539 1068043001 /nfs/dbraw/zinc/04/30/01/1068043001.db2.gz UUARAMFWOQSLHA-DYVFJYSZSA-N 0 0 455.395 4.504 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3ccncc3Br)c2)c1 ZINC001462298479 1068046393 /nfs/dbraw/zinc/04/63/93/1068046393.db2.gz RPENBZBXWWTZSQ-UHFFFAOYSA-N 0 0 454.324 4.885 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001462296509 1068046584 /nfs/dbraw/zinc/04/65/84/1068046584.db2.gz RXBYRARLBXJUHJ-UHFFFAOYSA-N 0 0 457.455 4.545 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1 ZINC001462302430 1068047526 /nfs/dbraw/zinc/04/75/26/1068047526.db2.gz VYWBFLMKYVFINI-KAMYIIQDSA-N 0 0 456.517 4.947 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001462307594 1068047718 /nfs/dbraw/zinc/04/77/18/1068047718.db2.gz OYGLFTYKLYORLP-GOEBONIOSA-N 0 0 454.436 4.507 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)o1 ZINC001462308576 1068047776 /nfs/dbraw/zinc/04/77/76/1068047776.db2.gz KWQSEPRVKWRDDJ-PKHIPVCBSA-N 0 0 451.544 4.722 20 0 JJADRN COc1cc(CN2CCC[C@@H]2c2ccc(Br)cn2)cc(OC)c1OCC(F)F ZINC001462309222 1068048331 /nfs/dbraw/zinc/04/83/31/1068048331.db2.gz IHHSLRQYNNCUPP-MRXNPFEDSA-N 0 0 457.315 4.842 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(c2ccccn2)[C@H](C)c2ccccc2)ccc1C ZINC001462315059 1068049563 /nfs/dbraw/zinc/04/95/63/1068049563.db2.gz WOFXYARKVGOACU-HXUWFJFHSA-N 0 0 451.592 4.829 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CN1CC(Cc2ccccc2OC(F)(F)F)C1)CC(F)(F)F ZINC001462321209 1068050501 /nfs/dbraw/zinc/05/05/01/1068050501.db2.gz KYZKYOMZTCIHHX-HNNXBMFYSA-N 0 0 456.427 4.905 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CCCC1 ZINC001546130799 1068050608 /nfs/dbraw/zinc/05/06/08/1068050608.db2.gz DRXRBPHFVNJJNF-HXUWFJFHSA-N 0 0 474.447 4.783 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CC(=O)NC(C)C)CCC1 ZINC001546130826 1068051424 /nfs/dbraw/zinc/05/14/24/1068051424.db2.gz FORSITJYMAMFOR-UHFFFAOYSA-N 0 0 462.436 4.557 20 0 JJADRN COC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1cccc(Br)c1 ZINC001462325069 1068051454 /nfs/dbraw/zinc/05/14/54/1068051454.db2.gz VNYZEBHZWGMOJG-CQSZACIVSA-N 0 0 454.777 4.682 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001462323327 1068051554 /nfs/dbraw/zinc/05/15/54/1068051554.db2.gz HWJPQWPMGJQTGK-ROUUACIJSA-N 0 0 456.955 4.543 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)cc1 ZINC001462324583 1068051600 /nfs/dbraw/zinc/05/16/00/1068051600.db2.gz TVJZZAHPTCCGKT-SFHVURJKSA-N 0 0 450.560 4.555 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC001462328922 1068052145 /nfs/dbraw/zinc/05/21/45/1068052145.db2.gz OOOGPPBDMXSHPA-UHFFFAOYSA-N 0 0 459.344 4.821 20 0 JJADRN CNC(=O)c1ccc(NCc2c(Br)cc(F)c(F)c2N2CCCCC2)c(C)c1 ZINC001462330238 1068052264 /nfs/dbraw/zinc/05/22/64/1068052264.db2.gz HFIKLMGLNSQXKZ-UHFFFAOYSA-N 0 0 452.343 4.998 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2F)c1 ZINC001462329005 1068052288 /nfs/dbraw/zinc/05/22/88/1068052288.db2.gz FFJMLMLANXYNMP-UHFFFAOYSA-N 0 0 455.132 4.941 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)c2)cs1 ZINC001462330722 1068052521 /nfs/dbraw/zinc/05/25/21/1068052521.db2.gz WHGPOOXYTNUILQ-RTWAWAEBSA-N 0 0 457.596 4.645 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1cnn(CC(C)C)c1C(F)F ZINC001462330252 1068052641 /nfs/dbraw/zinc/05/26/41/1068052641.db2.gz INVKIMIYVXWAKA-UHFFFAOYSA-N 0 0 458.303 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CNc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 ZINC001462333069 1068053208 /nfs/dbraw/zinc/05/32/08/1068053208.db2.gz NEBWXJZQLXZDHR-UHFFFAOYSA-N 0 0 455.784 4.626 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)Nc2ccc(Br)c(Br)c2)cc1 ZINC001462340352 1068054808 /nfs/dbraw/zinc/05/48/08/1068054808.db2.gz LTDRIBSUIDRLIM-UHFFFAOYSA-N 0 0 450.134 4.742 20 0 JJADRN COCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC ZINC001462344178 1068055566 /nfs/dbraw/zinc/05/55/66/1068055566.db2.gz WGFDWICHYLAILI-OAHLLOKOSA-N 0 0 451.350 4.639 20 0 JJADRN COCc1cc(NC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)ccc1OC ZINC001462343287 1068055638 /nfs/dbraw/zinc/05/56/38/1068055638.db2.gz BKABNMOZXMTMGJ-YRNVUSSQSA-N 0 0 452.507 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)ccc2Cl)C1 ZINC001462345296 1068055967 /nfs/dbraw/zinc/05/59/67/1068055967.db2.gz REEFKDOBENSZDD-CXAGYDPISA-N 0 0 457.796 4.964 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)nn1-c1ccccc1Cl ZINC001462346805 1068056154 /nfs/dbraw/zinc/05/61/54/1068056154.db2.gz ARQOCOSXEZEHPO-PXNSSMCTSA-N 0 0 458.990 4.696 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H](COC)C2)CCOCC1 ZINC001546130987 1068056293 /nfs/dbraw/zinc/05/62/93/1068056293.db2.gz LFADYKXUTMGXBZ-MRXNPFEDSA-N 0 0 483.476 4.839 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2c(F)cc(Br)cc2F)C1 ZINC001462349553 1068057047 /nfs/dbraw/zinc/05/70/47/1068057047.db2.gz OKYDQFAQKLOOSO-WBMJQRKESA-N 0 0 459.331 4.589 20 0 JJADRN CCOc1cccc(CN(CCO)Cc2cc(Br)c(C)cc2Br)c1 ZINC001462351057 1068057545 /nfs/dbraw/zinc/05/75/45/1068057545.db2.gz ZRCXDPSMGNZNTB-UHFFFAOYSA-N 0 0 457.206 4.913 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001546131014 1068057660 /nfs/dbraw/zinc/05/76/60/1068057660.db2.gz MOZHJXIQZVIBKF-UHFFFAOYSA-N 0 0 481.822 4.941 20 0 JJADRN CCC1(Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546131034 1068057803 /nfs/dbraw/zinc/05/78/03/1068057803.db2.gz NAGQDCAWIYRBIL-GOSISDBHSA-N 0 0 458.628 4.921 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc(I)ccc1F ZINC001462356436 1068058150 /nfs/dbraw/zinc/05/81/50/1068058150.db2.gz UBWKJYXQMLMODU-SJORKVTESA-N 0 0 459.686 4.734 20 0 JJADRN CCc1cccc(NC(=O)CNCc2cc(Br)c([C@H](C)OCOC)cc2F)c1 ZINC001462359378 1068059353 /nfs/dbraw/zinc/05/93/53/1068059353.db2.gz CFZOKWQZBUZEGB-AWEZNQCLSA-N 0 0 453.352 4.560 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@@H]3CC=CC[C@H]3C(F)(F)F)cc2)c1 ZINC001462371645 1068061472 /nfs/dbraw/zinc/06/14/72/1068061472.db2.gz XMLKISGUIPGJOJ-RTBURBONSA-N 0 0 453.482 4.698 20 0 JJADRN C[C@@H]1CC[C@@H](NCc2c(F)c(F)c(Br)c(F)c2F)CN1C(=O)OC(C)(C)C ZINC001462369051 1068061732 /nfs/dbraw/zinc/06/17/32/1068061732.db2.gz CPRPDHXSJQRFGH-NXEZZACHSA-N 0 0 455.290 4.883 20 0 JJADRN Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]3C)cnc12 ZINC001462370684 1068061819 /nfs/dbraw/zinc/06/18/19/1068061819.db2.gz ACCDXIOTKXNMNJ-PMPSAXMXSA-N 0 0 451.409 4.623 20 0 JJADRN COC(=O)C[C@@H]1CN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c2ccccc21 ZINC001462373196 1068061998 /nfs/dbraw/zinc/06/19/98/1068061998.db2.gz WERYNNKFBFMMIN-GOSISDBHSA-N 0 0 451.954 4.687 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC(=O)N(C)[C@H](C)C2)CCC1 ZINC001546131183 1068063085 /nfs/dbraw/zinc/06/30/85/1068063085.db2.gz RMTGHZOSCUIXAA-CQSZACIVSA-N 0 0 480.838 4.608 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCOC[C@H]3c3ccc(OC)cc3)s2)cc1 ZINC001462390264 1068064891 /nfs/dbraw/zinc/06/48/91/1068064891.db2.gz RCLPREXQMDXUNS-QFIPXVFZSA-N 0 0 452.576 4.994 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1c3ccccc3N(C(=O)OC(C)(C)C)C1(C)C)CO2 ZINC001462409159 1068067764 /nfs/dbraw/zinc/06/77/64/1068067764.db2.gz FAGHUMGWUFJVKD-HTAPYJJXSA-N 0 0 452.551 4.638 20 0 JJADRN COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001462410110 1068067882 /nfs/dbraw/zinc/06/78/82/1068067882.db2.gz WGFYGCUCEMNESD-UHFFFAOYSA-N 0 0 455.845 4.845 20 0 JJADRN Cc1cccc(OC(=O)c2cc(F)c(F)cc2I)c1Br ZINC001462411544 1068068831 /nfs/dbraw/zinc/06/88/31/1068068831.db2.gz HDDGZOAPPACSPS-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@H](c2cccc(Cl)c2)C(F)F)cs1 ZINC001462417267 1068070500 /nfs/dbraw/zinc/07/05/00/1068070500.db2.gz HJKHMBDIVSLKKF-QGZVFWFLSA-N 0 0 455.939 4.704 20 0 JJADRN C[C@@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1c(Cl)cccc1Cl ZINC001462429071 1068072740 /nfs/dbraw/zinc/07/27/40/1068072740.db2.gz UWQNZGAZNFAGMT-HWPZZCPQSA-N 0 0 456.167 4.929 20 0 JJADRN CN(Cc1ccns1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001462430386 1068073065 /nfs/dbraw/zinc/07/30/65/1068073065.db2.gz FJONQFVQYUNRGE-UHFFFAOYSA-N 0 0 455.996 4.795 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001462435325 1068073561 /nfs/dbraw/zinc/07/35/61/1068073561.db2.gz CHTKNGWKMAAGFY-HNNXBMFYSA-N 0 0 451.336 4.912 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439705 1068074494 /nfs/dbraw/zinc/07/44/94/1068074494.db2.gz JETTWMXSTVQGAX-ZHRRBRCNSA-N 0 0 452.904 4.864 20 0 JJADRN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC001462443542 1068075065 /nfs/dbraw/zinc/07/50/65/1068075065.db2.gz NQVUESUHLGMXPZ-XMMPIXPASA-N 0 0 452.595 4.532 20 0 JJADRN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC001462443536 1068075352 /nfs/dbraw/zinc/07/53/52/1068075352.db2.gz NQVUESUHLGMXPZ-DEOSSOPVSA-N 0 0 452.595 4.532 20 0 JJADRN O=C(NCC[C@H]1CCCC1(F)F)c1cc(Br)cc(I)c1 ZINC001462443724 1068075400 /nfs/dbraw/zinc/07/54/00/1068075400.db2.gz XWYPWOSHBUTKLP-SNVBAGLBSA-N 0 0 458.084 4.609 20 0 JJADRN COc1ccc(C2(C(=O)NCCc3cc(Cl)cc(Br)c3)CCC2)cc1OC ZINC001462449989 1068077185 /nfs/dbraw/zinc/07/71/85/1068077185.db2.gz ATIBTSLXZSMGBV-UHFFFAOYSA-N 0 0 452.776 4.900 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC001462451629 1068077418 /nfs/dbraw/zinc/07/74/18/1068077418.db2.gz LHDYWSGPKJNJCZ-UHFFFAOYSA-N 0 0 453.905 4.678 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC001462459747 1068078696 /nfs/dbraw/zinc/07/86/96/1068078696.db2.gz SBPDCBJHRGRXSQ-MRXNPFEDSA-N 0 0 454.368 4.672 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc(Br)c(C)cc3C)C2)nc1C ZINC001462462016 1068079303 /nfs/dbraw/zinc/07/93/03/1068079303.db2.gz KHDVIYOAYCUFEO-CQSZACIVSA-N 0 0 451.386 4.637 20 0 JJADRN O=C(NCCc1sccc1Br)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001462463631 1068079933 /nfs/dbraw/zinc/07/99/33/1068079933.db2.gz BVTSQVSBMIZOKK-UHFFFAOYSA-N 0 0 453.365 4.731 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CC[C@H](c2nccs2)C1 ZINC001462463849 1068079977 /nfs/dbraw/zinc/07/99/77/1068079977.db2.gz UECVQDUYUDNACD-QMMMGPOBSA-N 0 0 453.132 4.684 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cnn(C(C)C)c3-c3ccccc3)C2)nc1C ZINC001462469152 1068080972 /nfs/dbraw/zinc/08/09/72/1068080972.db2.gz XUZYHHQWMRVNNO-GOSISDBHSA-N 0 0 452.580 4.702 20 0 JJADRN COC(=O)[C@H]1CN(Cc2cc(Br)c(C)c(Br)c2)Cc2ccccc21 ZINC001462479579 1068081663 /nfs/dbraw/zinc/08/16/63/1068081663.db2.gz LWRXRCXSCZMPJA-INIZCTEOSA-N 0 0 453.174 4.792 20 0 JJADRN Cc1noc2ncc(CNc3cc(Br)cc(I)c3C)cc12 ZINC001462481303 1068082502 /nfs/dbraw/zinc/08/25/02/1068082502.db2.gz YJNOLGRDHHMIRY-UHFFFAOYSA-N 0 0 458.097 4.819 20 0 JJADRN COC(=O)c1coc(/C=C/C(=O)Oc2cc(C(C)(C)C)ccc2I)c1 ZINC001462488932 1068083862 /nfs/dbraw/zinc/08/38/62/1068083862.db2.gz DCQZPWSHWWZNDC-SOFGYWHQSA-N 0 0 454.260 4.587 20 0 JJADRN COc1cccc(C(F)(F)C(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001462488455 1068084043 /nfs/dbraw/zinc/08/40/43/1068084043.db2.gz JIKJGMDWEGEHSZ-UHFFFAOYSA-N 0 0 452.501 4.715 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)nc1C ZINC001462496945 1068085206 /nfs/dbraw/zinc/08/52/06/1068085206.db2.gz PAURBHLKHSWNEW-UHFFFAOYSA-N 0 0 457.527 4.517 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)Cc3ccccc3OC3CCCC3)CC2)n1 ZINC001462497911 1068085664 /nfs/dbraw/zinc/08/56/64/1068085664.db2.gz SGGKYGLTSXYQEX-UHFFFAOYSA-N 0 0 456.608 4.665 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)/C=C\c3ccccc3C(F)(F)F)CC2)n1 ZINC001462499133 1068086038 /nfs/dbraw/zinc/08/60/38/1068086038.db2.gz ZOQRTLHSDSGOKE-FPLPWBNLSA-N 0 0 452.498 4.833 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)CCCc1nc(-c3ccc(F)cc3)no1)CC2 ZINC001462499931 1068086373 /nfs/dbraw/zinc/08/63/73/1068086373.db2.gz WHHKPCBQYRTATH-UHFFFAOYSA-N 0 0 453.514 4.536 20 0 JJADRN CCSc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)cn1 ZINC001462500439 1068086528 /nfs/dbraw/zinc/08/65/28/1068086528.db2.gz NEZPGYJYLOLNLH-FQEVSTJZSA-N 0 0 457.596 4.636 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3cc(Cl)ccc3OC(C)C)CC2)n1 ZINC001462506228 1068087201 /nfs/dbraw/zinc/08/72/01/1068087201.db2.gz QMBXWKJBSQEDDW-UHFFFAOYSA-N 0 0 450.988 4.855 20 0 JJADRN O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)c1ccc(Cn2cncn2)cc1 ZINC001462505813 1068087231 /nfs/dbraw/zinc/08/72/31/1068087231.db2.gz XOFKZPRQZYVQQI-UHFFFAOYSA-N 0 0 454.864 4.980 20 0 JJADRN CC(C)(C)OC(=O)COCC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC001462502879 1068087286 /nfs/dbraw/zinc/08/72/86/1068087286.db2.gz LCFKTHZUFWNMBP-UHFFFAOYSA-N 0 0 458.313 4.899 20 0 JJADRN COc1ccc(OC)c(NC(=O)C[C@@H](C)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)c1 ZINC001462507432 1068087631 /nfs/dbraw/zinc/08/76/31/1068087631.db2.gz SUEQNZDIFUGIEE-TYCQWZJGSA-N 0 0 469.582 4.914 20 0 JJADRN COC(=O)c1cnc(CC2CCN(C(=O)C(C)(C)c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC001462510408 1068088172 /nfs/dbraw/zinc/08/81/72/1068088172.db2.gz AOKJVTUSEWFJGE-UHFFFAOYSA-N 0 0 454.514 4.707 20 0 JJADRN O=C(NC1(c2cc(Cl)cc(Br)c2)CC1)c1ccn(-c2c(F)cccc2F)n1 ZINC001462513161 1068088945 /nfs/dbraw/zinc/08/89/45/1068088945.db2.gz MKSAIFRVWGNNRF-UHFFFAOYSA-N 0 0 452.686 4.986 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CSc2ccc(C)cc2)c1 ZINC001462512816 1068089136 /nfs/dbraw/zinc/08/91/36/1068089136.db2.gz CSSBLCPXTSSTSE-QFIPXVFZSA-N 0 0 456.608 4.916 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3nc4c(s3)C[C@@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517285 1068089610 /nfs/dbraw/zinc/08/96/10/1068089610.db2.gz GHVWTKSVAJPXID-NBHGPNQESA-N 0 0 457.640 4.769 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C(C)C)nc2C)c1 ZINC001462518704 1068090114 /nfs/dbraw/zinc/09/01/14/1068090114.db2.gz VKQXHDIMXNINAO-HSZRJFAPSA-N 0 0 453.583 4.956 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462519215 1068090127 /nfs/dbraw/zinc/09/01/27/1068090127.db2.gz XSGHTZAEAQWCDU-SFHVURJKSA-N 0 0 455.603 4.716 20 0 JJADRN C[C@@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001462525335 1068091606 /nfs/dbraw/zinc/09/16/06/1068091606.db2.gz FLPIEZUJFYJLFW-ORYQWCPZSA-N 0 0 454.954 4.827 20 0 JJADRN CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)c1cccc(-n2cncn2)n1 ZINC001462524588 1068091618 /nfs/dbraw/zinc/09/16/18/1068091618.db2.gz AKSKORTTXNWBMN-UHFFFAOYSA-N 0 0 451.889 4.909 20 0 JJADRN COc1cccc2c1OCCC[C@@H]2NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001462529126 1068092282 /nfs/dbraw/zinc/09/22/82/1068092282.db2.gz IJKHTRFQKPABFS-QHCPKHFHSA-N 0 0 458.558 4.711 20 0 JJADRN COc1cccc2c1OCCC[C@H]2NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001462529119 1068092297 /nfs/dbraw/zinc/09/22/97/1068092297.db2.gz IJKHTRFQKPABFS-HSZRJFAPSA-N 0 0 458.558 4.711 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546132261 1068092876 /nfs/dbraw/zinc/09/28/76/1068092876.db2.gz BLAYKDGDGSUDQA-UHFFFAOYSA-N 0 0 461.010 4.677 20 0 JJADRN CC(C)[C@@H](C(=O)NCc1cc2cc(Br)ccc2o1)[C@H](C)NC(=O)OC(C)(C)C ZINC001462535150 1068093273 /nfs/dbraw/zinc/09/32/73/1068093273.db2.gz NZUFUMRVENUBBK-SCLBCKFNSA-N 0 0 453.377 4.997 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC001546132311 1068094023 /nfs/dbraw/zinc/09/40/23/1068094023.db2.gz DHLDIHQDMXSJOQ-QGZVFWFLSA-N 0 0 456.509 4.601 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)Cn1cnc2sccc2c1=O ZINC001462537465 1068094092 /nfs/dbraw/zinc/09/40/92/1068094092.db2.gz YBGNKZQUEWFUJR-UHFFFAOYSA-N 0 0 453.951 4.871 20 0 JJADRN O=C(NCC(F)(F)c1cc(F)cc(F)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001462538559 1068094296 /nfs/dbraw/zinc/09/42/96/1068094296.db2.gz LVKJVNXEVUVAEI-UHFFFAOYSA-N 0 0 458.390 4.873 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001462542082 1068094428 /nfs/dbraw/zinc/09/44/28/1068094428.db2.gz LSAIKAUPMONEIS-LJQANCHMSA-N 0 0 459.514 4.940 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)sc2c1 ZINC001462543134 1068094995 /nfs/dbraw/zinc/09/49/95/1068094995.db2.gz IJTYGGOQVPIMAW-JKSUJKDBSA-N 0 0 461.584 4.885 20 0 JJADRN CCOC(=O)c1ccc2nc(NC(=O)[C@H](OC)c3ccc(Br)s3)sc2c1 ZINC001462542471 1068095021 /nfs/dbraw/zinc/09/50/21/1068095021.db2.gz ALJOWGFOKNVLQZ-CQSZACIVSA-N 0 0 455.355 4.623 20 0 JJADRN Cc1cc(Br)cc(CN2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1 ZINC001462550262 1068096739 /nfs/dbraw/zinc/09/67/39/1068096739.db2.gz YLVKORKPHBYOIH-UHFFFAOYSA-N 0 0 452.418 4.797 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)C(C)C ZINC001462553454 1068097112 /nfs/dbraw/zinc/09/71/12/1068097112.db2.gz LVVMJPATUYJIAD-KPFFTGBYSA-N 0 0 472.607 4.610 20 0 JJADRN CCCOc1c(Br)cc(C(=O)NCc2noc3c2CC(C)(C)CC3)cc1OC ZINC001462556075 1068097688 /nfs/dbraw/zinc/09/76/88/1068097688.db2.gz MBLPTPFZBKKJGC-UHFFFAOYSA-N 0 0 451.361 4.679 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001462557280 1068097851 /nfs/dbraw/zinc/09/78/51/1068097851.db2.gz ZCVWSIWTCMJASK-UHFFFAOYSA-N 0 0 456.427 4.899 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001462563078 1068098948 /nfs/dbraw/zinc/09/89/48/1068098948.db2.gz IIOFHDGUSRIQJN-GOSISDBHSA-N 0 0 450.304 4.993 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001462562766 1068099120 /nfs/dbraw/zinc/09/91/20/1068099120.db2.gz FHLZKRZVNDEXJF-SFHVURJKSA-N 0 0 454.567 4.898 20 0 JJADRN COC(=O)C(C)(C)[C@H](NCc1ncc(Br)cc1Br)c1ccccc1 ZINC001462566908 1068099550 /nfs/dbraw/zinc/09/95/50/1068099550.db2.gz QHJBFYXBHGTQFM-MRXNPFEDSA-N 0 0 456.178 4.637 20 0 JJADRN O=C(CCCOc1ccccc1Br)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001462565968 1068099620 /nfs/dbraw/zinc/09/96/20/1068099620.db2.gz MRDNGMCKJSPKSC-UHFFFAOYSA-N 0 0 451.267 4.858 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NCc1ncc(Br)cc1Br)c1ccccc1 ZINC001462566902 1068099694 /nfs/dbraw/zinc/09/96/94/1068099694.db2.gz QHJBFYXBHGTQFM-INIZCTEOSA-N 0 0 456.178 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)cc2C1 ZINC001462569506 1068099821 /nfs/dbraw/zinc/09/98/21/1068099821.db2.gz YRHSJJRCSKCOSU-UHFFFAOYSA-N 0 0 455.461 4.801 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Cc1c(C)nn(-c3ccc(Cl)cc3)c1C)CC2 ZINC001462569768 1068099945 /nfs/dbraw/zinc/09/99/45/1068099945.db2.gz HYFVTZAWVDRQJY-MRXNPFEDSA-N 0 0 453.970 4.848 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)NCCC[C@H]2C=CCC2)cc1 ZINC001462568667 1068099971 /nfs/dbraw/zinc/09/99/71/1068099971.db2.gz ILKCFJPNWHANKD-SFHVURJKSA-N 0 0 452.576 4.680 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)COc1ccc(Br)cc1Cl)CC2 ZINC001462569359 1068100058 /nfs/dbraw/zinc/10/00/58/1068100058.db2.gz HHTHJHHMYMSPAB-LBPRGKRZSA-N 0 0 454.748 4.644 20 0 JJADRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001462570479 1068100600 /nfs/dbraw/zinc/10/06/00/1068100600.db2.gz LMIHDCWJXUZGKV-NFBKMPQASA-N 0 0 454.998 4.752 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)CC2 ZINC001462573142 1068101039 /nfs/dbraw/zinc/10/10/39/1068101039.db2.gz UVQOAHQRZGXYLJ-ZDUSSCGKSA-N 0 0 452.429 4.574 20 0 JJADRN CCOC(=O)c1[nH]c(C)nc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001462571994 1068101155 /nfs/dbraw/zinc/10/11/55/1068101155.db2.gz SHLYGVLHFDVJFB-UHFFFAOYSA-N 0 0 452.561 4.928 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001546132561 1068101784 /nfs/dbraw/zinc/10/17/84/1068101784.db2.gz NCQNENRLOXHJPN-KRWDZBQOSA-N 0 0 475.037 4.925 20 0 JJADRN Clc1ccc(-n2cc(CN[C@@H]3CCOc4ccc(Br)cc43)nn2)c(Cl)c1 ZINC001462577703 1068102293 /nfs/dbraw/zinc/10/22/93/1068102293.db2.gz IUACCCINUXRGAV-MRXNPFEDSA-N 0 0 454.155 4.950 20 0 JJADRN CCOc1cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579522 1068103148 /nfs/dbraw/zinc/10/31/48/1068103148.db2.gz VUZGPONEJIERBY-ZIAGYGMSSA-N 0 0 452.901 4.579 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC001462578357 1068103199 /nfs/dbraw/zinc/10/31/99/1068103199.db2.gz GSPIQEQGYAWZNW-PXNSSMCTSA-N 0 0 450.297 4.527 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001546132607 1068104042 /nfs/dbraw/zinc/10/40/42/1068104042.db2.gz OCILPVGAVSOFAH-INIZCTEOSA-N 0 0 463.420 4.769 20 0 JJADRN CCOC(=O)N1CCC(C(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC001462584898 1068104340 /nfs/dbraw/zinc/10/43/40/1068104340.db2.gz APZSACZOWDNMLU-NRFANRHFSA-N 0 0 459.384 4.865 20 0 JJADRN COc1ccc(-c2ccncc2)cc1CN1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462584147 1068104349 /nfs/dbraw/zinc/10/43/49/1068104349.db2.gz CNHLHQJDXAKJDN-RTBURBONSA-N 0 0 451.489 4.645 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001462584882 1068104390 /nfs/dbraw/zinc/10/43/90/1068104390.db2.gz URONWAPGDPZTOV-DNVCBOLYSA-N 0 0 452.521 4.699 20 0 JJADRN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN[C@@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584333 1068104444 /nfs/dbraw/zinc/10/44/44/1068104444.db2.gz JUIQBJZTYSQFKV-BEFAXECRSA-N 0 0 456.965 4.661 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC001546132620 1068104521 /nfs/dbraw/zinc/10/45/21/1068104521.db2.gz OHJIJJCDKSJNJM-OAQYLSRUSA-N 0 0 495.089 4.599 20 0 JJADRN CC(=O)NCc1cccc(C(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)c1 ZINC001462590923 1068106670 /nfs/dbraw/zinc/10/66/70/1068106670.db2.gz UYOKAYKJEFWPJY-HSZRJFAPSA-N 0 0 451.364 4.947 20 0 JJADRN Cc1cc(Oc2ccc(CNc3ccc4c(=O)n(C)c(=O)n(C)c4c3)c(Cl)c2)ccc1F ZINC001462592808 1068107473 /nfs/dbraw/zinc/10/74/73/1068107473.db2.gz OUHJJGKGWKELKH-UHFFFAOYSA-N 0 0 453.901 4.743 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462595271 1068107612 /nfs/dbraw/zinc/10/76/12/1068107612.db2.gz BAMUIROCVXJBMX-LJQANCHMSA-N 0 0 451.917 4.947 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001546132722 1068108821 /nfs/dbraw/zinc/10/88/21/1068108821.db2.gz RANQKDXIKSGDTD-UHFFFAOYSA-N 0 0 498.351 4.530 20 0 JJADRN COCC(C)(C)CCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC001462601733 1068109443 /nfs/dbraw/zinc/10/94/43/1068109443.db2.gz OLBATNGDTKKAHJ-UHFFFAOYSA-N 0 0 452.551 4.720 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)c1cccc(OC(F)(F)F)c1 ZINC001462607199 1068110792 /nfs/dbraw/zinc/11/07/92/1068110792.db2.gz CPSCUMPXKDEWRV-CYBMUJFWSA-N 0 0 456.465 4.741 20 0 JJADRN C[C@H](NC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC001462613634 1068112338 /nfs/dbraw/zinc/11/23/38/1068112338.db2.gz YASRVZMZYSMXKF-STQMWFEESA-N 0 0 451.470 4.733 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)(F)c2ccc(F)cc2F)c1Cl ZINC001462617912 1068113777 /nfs/dbraw/zinc/11/37/77/1068113777.db2.gz HHSVWZDDJAUUHF-UHFFFAOYSA-N 0 0 458.260 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)C(F)(F)c3cccc(Br)c3)CCC[C@H]12 ZINC001462621402 1068114097 /nfs/dbraw/zinc/11/40/97/1068114097.db2.gz XIERNQALRBCJNK-HNAYVOBHSA-N 0 0 459.331 4.589 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001462625632 1068115800 /nfs/dbraw/zinc/11/58/00/1068115800.db2.gz DUHAIXVIGALKKN-FYYLOGMGSA-N 0 0 456.627 4.876 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)C3=Cc4cc(Br)ccc4OC3)s2)c1 ZINC001462625785 1068116192 /nfs/dbraw/zinc/11/61/92/1068116192.db2.gz FYNXHUGHUKZPEB-UHFFFAOYSA-N 0 0 457.349 4.920 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001462627949 1068116895 /nfs/dbraw/zinc/11/68/95/1068116895.db2.gz SYJCRXYQGMRTGS-UHFFFAOYSA-N 0 0 455.024 4.803 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001462628233 1068117052 /nfs/dbraw/zinc/11/70/52/1068117052.db2.gz PBAUZZIWIJEFNS-LJQANCHMSA-N 0 0 450.620 4.576 20 0 JJADRN C[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001462631139 1068118170 /nfs/dbraw/zinc/11/81/70/1068118170.db2.gz UFOJBAKTOIISLX-GJZGRUSLSA-N 0 0 454.402 4.557 20 0 JJADRN Cc1sc2ncn(CC(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)c(=O)c2c1C ZINC001462631984 1068118301 /nfs/dbraw/zinc/11/83/01/1068118301.db2.gz WQAUTQYXYCOOCU-UHFFFAOYSA-N 0 0 455.889 4.726 20 0 JJADRN Cn1ncc(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1C(F)F ZINC001462632380 1068118323 /nfs/dbraw/zinc/11/83/23/1068118323.db2.gz ACTHRDYPFQTSLZ-CRAIPNDOSA-N 0 0 454.562 4.684 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001462635021 1068119547 /nfs/dbraw/zinc/11/95/47/1068119547.db2.gz RLWDZMXKMVKFSA-ZWKOTPCHSA-N 0 0 451.405 4.633 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1Br)NCc1cc(C(F)(F)F)ccc1Cl ZINC001462635460 1068120186 /nfs/dbraw/zinc/12/01/86/1068120186.db2.gz KOQDBYZFKFMNEG-INIZCTEOSA-N 0 0 450.682 4.995 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462642297 1068121548 /nfs/dbraw/zinc/12/15/48/1068121548.db2.gz BJJYBXUEZPTVJT-CYBMUJFWSA-N 0 0 450.885 4.556 20 0 JJADRN CC(C)[C@@H]1CCC[C@@](NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC001462651546 1068124353 /nfs/dbraw/zinc/12/43/53/1068124353.db2.gz ZZYHBFDZAJAIQI-WWMYMODYSA-N 0 0 450.542 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC001462652022 1068124361 /nfs/dbraw/zinc/12/43/61/1068124361.db2.gz DESIABOUFLWYJC-KCWPFWIISA-N 0 0 452.595 4.545 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC001462652028 1068124539 /nfs/dbraw/zinc/12/45/39/1068124539.db2.gz DESIABOUFLWYJC-WNCULLNHSA-N 0 0 452.595 4.545 20 0 JJADRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccnc1Oc1cccc(Br)c1 ZINC001462654924 1068125314 /nfs/dbraw/zinc/12/53/14/1068125314.db2.gz KYRAUHFPWPFCQB-GDBMZVCRSA-N 0 0 459.262 4.866 20 0 JJADRN Cc1cc([C@H](CC(=O)NCc2ccc3c(c2)C[C@H](C)O3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462658180 1068126532 /nfs/dbraw/zinc/12/65/32/1068126532.db2.gz FCLKGDWGUWGHIJ-KXBFYZLASA-N 0 0 459.974 4.639 20 0 JJADRN C[C@@H]1Cc2cc(CNC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)ccc2O1 ZINC001462658601 1068126541 /nfs/dbraw/zinc/12/65/41/1068126541.db2.gz HPQQOBIISDNEAR-CYBMUJFWSA-N 0 0 455.308 4.548 20 0 JJADRN CCSc1ccccc1CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC001462661721 1068127221 /nfs/dbraw/zinc/12/72/21/1068127221.db2.gz ITYNPWNQQWRWDO-UHFFFAOYSA-N 0 0 451.373 4.794 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC4(CC(C(=O)OC(C)(C)C)C4)O3)nc2)cc1 ZINC001462665216 1068127255 /nfs/dbraw/zinc/12/72/55/1068127255.db2.gz KCAQLTSCPGMHGC-WYBLULDQSA-N 0 0 452.551 4.582 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC4(CC(C(=O)OC(C)(C)C)C4)O3)nc2)cc1 ZINC001462665204 1068127286 /nfs/dbraw/zinc/12/72/86/1068127286.db2.gz KCAQLTSCPGMHGC-DRMRFRMASA-N 0 0 452.551 4.582 20 0 JJADRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)O2 ZINC001462672811 1068128378 /nfs/dbraw/zinc/12/83/78/1068128378.db2.gz WXAKZFNRZVQIFZ-GXPWMBGSSA-N 0 0 453.501 4.523 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462677924 1068129237 /nfs/dbraw/zinc/12/92/37/1068129237.db2.gz PDKCKJYFQSSGFZ-CHUHDXGESA-N 0 0 458.382 4.546 20 0 JJADRN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)cc1OC ZINC001462684293 1068131374 /nfs/dbraw/zinc/13/13/74/1068131374.db2.gz ZSWUIJXVRGWGNG-LJQANCHMSA-N 0 0 458.511 4.556 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Br)c2ccccc12 ZINC001462685620 1068131390 /nfs/dbraw/zinc/13/13/90/1068131390.db2.gz LTHBWVKZIQVLJX-UHFFFAOYSA-N 0 0 454.729 4.982 20 0 JJADRN CN(C)[C@@H](CCNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)C(F)(F)F ZINC001462691529 1068132835 /nfs/dbraw/zinc/13/28/35/1068132835.db2.gz XXWOLHPGLADOPF-KRWDZBQOSA-N 0 0 450.436 4.519 20 0 JJADRN COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)Oc1ccc(Cl)cc1C1CCCCC1 ZINC001462692273 1068132921 /nfs/dbraw/zinc/13/29/21/1068132921.db2.gz BKPVITUWZLWFCK-UHFFFAOYSA-N 0 0 451.972 4.866 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)Cc3cccc(F)c3Br)ccc12 ZINC001462697096 1068134662 /nfs/dbraw/zinc/13/46/62/1068134662.db2.gz TVHLGDAGGWCCNH-UHFFFAOYSA-N 0 0 455.301 4.556 20 0 JJADRN COC(=O)c1sc2ccccc2c1S(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001462697704 1068134762 /nfs/dbraw/zinc/13/47/62/1068134762.db2.gz ZYMFWNDPLLOKAK-UHFFFAOYSA-N 0 0 452.509 4.687 20 0 JJADRN O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)Oc2cccc(Cl)c2Cl)CC1 ZINC001462701411 1068135843 /nfs/dbraw/zinc/13/58/43/1068135843.db2.gz PWDLGCHCJLZMOE-UHFFFAOYSA-N 0 0 458.363 4.751 20 0 JJADRN CCc1ccc(CN(C)S(=O)(=O)c2scc(Br)c2Br)cc1 ZINC001462704110 1068136419 /nfs/dbraw/zinc/13/64/19/1068136419.db2.gz ZBOGLKWSDMSWDE-UHFFFAOYSA-N 0 0 453.221 4.656 20 0 JJADRN Cc1c(NC(=O)c2nncc3ccccc32)cc(I)cc1C(F)(F)F ZINC001462703149 1068136437 /nfs/dbraw/zinc/13/64/37/1068136437.db2.gz VTCMMMBNFSDZMI-UHFFFAOYSA-N 0 0 457.193 4.814 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCOc3ccc(Br)cc32)c1 ZINC001462703974 1068136554 /nfs/dbraw/zinc/13/65/54/1068136554.db2.gz JLQNLVNSSWAPKY-KRWDZBQOSA-N 0 0 451.748 4.951 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)c1cc(F)c(Cl)cc1Cl ZINC001462704939 1068136998 /nfs/dbraw/zinc/13/69/98/1068136998.db2.gz CTTQAEGECDLBCE-JTQLQIEISA-N 0 0 453.322 4.915 20 0 JJADRN CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 ZINC001462705354 1068137028 /nfs/dbraw/zinc/13/70/28/1068137028.db2.gz BWIKJYTVCZWWLI-INIZCTEOSA-N 0 0 455.386 4.624 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1Cl)NCCc1ccc(C(F)(F)F)cc1 ZINC001462706634 1068137771 /nfs/dbraw/zinc/13/77/71/1068137771.db2.gz KDNXHLWVOOWKGN-UHFFFAOYSA-N 0 0 456.711 4.783 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)Nc1nc2c(cccc2Br)[nH]1 ZINC001462709287 1068138930 /nfs/dbraw/zinc/13/89/30/1068138930.db2.gz LJLQQMPHBYTFLG-UHFFFAOYSA-N 0 0 459.525 4.759 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(Cl)c1 ZINC001462711976 1068139496 /nfs/dbraw/zinc/13/94/96/1068139496.db2.gz RQBHXPUXQKDTSN-MRXNPFEDSA-N 0 0 453.720 4.925 20 0 JJADRN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)CC2)c1C ZINC001462714596 1068140011 /nfs/dbraw/zinc/14/00/11/1068140011.db2.gz JCDYZMPZPHJPIB-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001462718003 1068141199 /nfs/dbraw/zinc/14/11/99/1068141199.db2.gz GKBXFXLMGWJGOH-DNVCBOLYSA-N 0 0 457.523 4.705 20 0 JJADRN Cc1nocc1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462719040 1068141290 /nfs/dbraw/zinc/14/12/90/1068141290.db2.gz RUKSGYPBCAQETH-QGZVFWFLSA-N 0 0 450.347 4.882 20 0 JJADRN COCC[C@@H](C)S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718063 1068141348 /nfs/dbraw/zinc/14/13/48/1068141348.db2.gz JPGDMAACXYWXKM-KUHUBIRLSA-N 0 0 455.407 4.951 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC001462720328 1068141730 /nfs/dbraw/zinc/14/17/30/1068141730.db2.gz CSRAZVLUBZPSRZ-UHFFFAOYSA-N 0 0 452.351 4.839 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)c(Cl)cc1NC(C)=O ZINC001462722227 1068142355 /nfs/dbraw/zinc/14/23/55/1068142355.db2.gz LZZQUKBGXDKRCK-LJQANCHMSA-N 0 0 453.322 4.781 20 0 JJADRN CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001462722336 1068142457 /nfs/dbraw/zinc/14/24/57/1068142457.db2.gz NHBQTYLDYXNIPE-CZUORRHYSA-N 0 0 457.379 4.656 20 0 JJADRN COc1ccc(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)nc1Br ZINC001462723442 1068142786 /nfs/dbraw/zinc/14/27/86/1068142786.db2.gz QGQIKHZWGAKPLA-UHFFFAOYSA-N 0 0 454.752 4.534 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(Cl)cc(F)cc1Br ZINC001462724231 1068143372 /nfs/dbraw/zinc/14/33/72/1068143372.db2.gz PWYOCJSFJVXRIN-VXGBXAGGSA-N 0 0 463.775 4.865 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001462733160 1068147032 /nfs/dbraw/zinc/14/70/32/1068147032.db2.gz OQKOZVIHZVGIEP-KRWDZBQOSA-N 0 0 457.459 4.571 20 0 JJADRN COc1ccccc1[C@@H](CNS(=O)(=O)Cc1ccc(C2CCCCC2)cc1)N1CCCC1 ZINC001462734767 1068147626 /nfs/dbraw/zinc/14/76/26/1068147626.db2.gz SZBMXSOVJHGMFX-RUZDIDTESA-N 0 0 456.652 4.999 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)cc1F ZINC001462739242 1068150073 /nfs/dbraw/zinc/15/00/73/1068150073.db2.gz OCVAXUSOWSZDRH-UHFFFAOYSA-N 0 0 458.534 4.507 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001462740624 1068150637 /nfs/dbraw/zinc/15/06/37/1068150637.db2.gz SVDXLULNRWXBQS-UHFFFAOYSA-N 0 0 455.946 4.530 20 0 JJADRN O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc(OCC(F)F)c2ccccc21 ZINC001462742201 1068151301 /nfs/dbraw/zinc/15/13/01/1068151301.db2.gz XOJMFILOWSXCBX-UHFFFAOYSA-N 0 0 457.445 4.606 20 0 JJADRN COc1ccc(C[C@@H](NS(=O)(=O)c2cscc2C(F)F)c2ccc(OC)cc2)cc1 ZINC001462741306 1068151365 /nfs/dbraw/zinc/15/13/65/1068151365.db2.gz GVRYTVBRLAXLBF-LJQANCHMSA-N 0 0 453.532 4.965 20 0 JJADRN CCCCc1ccc([C@H](NS(=O)(=O)c2cnn(C)c2C(F)(F)F)c2cccs2)cc1 ZINC001462743945 1068152451 /nfs/dbraw/zinc/15/24/51/1068152451.db2.gz KTYYGEIATZBVHM-SFHVURJKSA-N 0 0 457.543 4.911 20 0 JJADRN CCCCc1ccc([C@@H](NS(=O)(=O)c2cnn(C)c2C(F)(F)F)c2cccs2)cc1 ZINC001462743938 1068152601 /nfs/dbraw/zinc/15/26/01/1068152601.db2.gz KTYYGEIATZBVHM-GOSISDBHSA-N 0 0 457.543 4.911 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CCC1 ZINC001546134013 1068153191 /nfs/dbraw/zinc/15/31/91/1068153191.db2.gz IPJORHMLYFGEQT-HNAYVOBHSA-N 0 0 468.520 4.699 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462748147 1068153823 /nfs/dbraw/zinc/15/38/23/1068153823.db2.gz RXFIUOBFGAEWOV-DFQSSKMNSA-N 0 0 459.555 4.746 20 0 JJADRN CC(C)OC(=O)C[C@@H](NS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001462749009 1068153847 /nfs/dbraw/zinc/15/38/47/1068153847.db2.gz WSQQHQNETNYDJX-HXUWFJFHSA-N 0 0 457.514 4.640 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CCC1 ZINC001546134014 1068153912 /nfs/dbraw/zinc/15/39/12/1068153912.db2.gz IPJORHMLYFGEQT-KXBFYZLASA-N 0 0 468.520 4.699 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC001462750837 1068155219 /nfs/dbraw/zinc/15/52/19/1068155219.db2.gz DHLPVCQXLAHCNP-UHFFFAOYSA-N 0 0 451.523 4.711 20 0 JJADRN Cc1cc(Br)c(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1Br ZINC001462753950 1068156475 /nfs/dbraw/zinc/15/64/75/1068156475.db2.gz YRVDUZFVCSASCY-MGPUTAFESA-N 0 0 465.185 4.560 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)s1 ZINC001462753183 1068156493 /nfs/dbraw/zinc/15/64/93/1068156493.db2.gz MHNKNTWGDSSHOH-UHFFFAOYSA-N 0 0 457.346 4.624 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1nc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 ZINC001462755846 1068156931 /nfs/dbraw/zinc/15/69/31/1068156931.db2.gz IAEIRAUBGICEBV-KRWDZBQOSA-N 0 0 455.502 4.533 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1ccc(SC(F)(F)F)nc1 ZINC001462757601 1068157650 /nfs/dbraw/zinc/15/76/50/1068157650.db2.gz UCMCNUNPOHFYNW-UHFFFAOYSA-N 0 0 457.275 4.572 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001462758903 1068157687 /nfs/dbraw/zinc/15/76/87/1068157687.db2.gz ZBQRPODYOUOQHL-UHFFFAOYSA-N 0 0 454.368 4.815 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3cnccc3-c3ccc(N(C)C)cc3)c(=O)oc2c1 ZINC001462759415 1068157722 /nfs/dbraw/zinc/15/77/22/1068157722.db2.gz QWFSPDNZPCKGMV-UHFFFAOYSA-N 0 0 457.530 4.809 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1csc(Cc2ccc(F)cc2)n1 ZINC001462760688 1068158248 /nfs/dbraw/zinc/15/82/48/1068158248.db2.gz AMKVYZRCMVZQRT-RTBURBONSA-N 0 0 463.500 4.666 20 0 JJADRN CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462760886 1068158347 /nfs/dbraw/zinc/15/83/47/1068158347.db2.gz VHOSKKMDISFZPS-INIZCTEOSA-N 0 0 450.004 4.864 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462762027 1068158997 /nfs/dbraw/zinc/15/89/97/1068158997.db2.gz HFXNFNWSSHVXGG-WOJBJXKFSA-N 0 0 476.930 4.686 20 0 JJADRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c(OC)c1 ZINC001462762981 1068159033 /nfs/dbraw/zinc/15/90/33/1068159033.db2.gz INIUSPXIFHXLNL-SFHVURJKSA-N 0 0 450.919 4.570 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)c2cc(Br)c(Cl)cc2OC)c1Cl ZINC001462764852 1068159563 /nfs/dbraw/zinc/15/95/63/1068159563.db2.gz AUKIIOHEJCFCTJ-UHFFFAOYSA-N 0 0 451.075 4.943 20 0 JJADRN COc1ccc2cc(CNS(=O)(=O)c3ccc4c(Br)cn(C)c4c3)ccc2c1 ZINC001462765938 1068160260 /nfs/dbraw/zinc/16/02/60/1068160260.db2.gz UENLFFKJTWNTAY-UHFFFAOYSA-N 0 0 459.365 4.581 20 0 JJADRN Cc1cc(C)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)ccc2n1 ZINC001462767867 1068160627 /nfs/dbraw/zinc/16/06/27/1068160627.db2.gz WQHFYMLLABEEIT-UHFFFAOYSA-N 0 0 451.592 4.508 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1Cl ZINC001462768578 1068161273 /nfs/dbraw/zinc/16/12/73/1068161273.db2.gz UBMKSARITXXFEH-ZDUSSCGKSA-N 0 0 450.771 4.888 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001462769966 1068161808 /nfs/dbraw/zinc/16/18/08/1068161808.db2.gz XHENGTPPXHKEIO-HKUYNNGSSA-N 0 0 454.558 4.894 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001462769969 1068161863 /nfs/dbraw/zinc/16/18/63/1068161863.db2.gz XHENGTPPXHKEIO-IEBWSBKVSA-N 0 0 454.558 4.894 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001462770981 1068162364 /nfs/dbraw/zinc/16/23/64/1068162364.db2.gz VNVUUCOTIRFUKN-HZPDHXFCSA-N 0 0 451.995 4.557 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771034 1068163007 /nfs/dbraw/zinc/16/30/07/1068163007.db2.gz XXQRTPWXQWDBNP-QGPMSJSTSA-N 0 0 465.566 4.956 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3cncc(Cl)c3)c2)cc1 ZINC001462776289 1068164765 /nfs/dbraw/zinc/16/47/65/1068164765.db2.gz MKGCPCYVDQYUBR-UHFFFAOYSA-N 0 0 459.955 4.520 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Br)c(OC)c3)cc2)ccn1 ZINC001462776948 1068164804 /nfs/dbraw/zinc/16/48/04/1068164804.db2.gz QQTDCIATJAHVKH-UHFFFAOYSA-N 0 0 457.280 4.684 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)Cc3cccc(Br)c3C)cc2)ccn1 ZINC001462776801 1068164851 /nfs/dbraw/zinc/16/48/51/1068164851.db2.gz PARPSVCFPLLSCF-UHFFFAOYSA-N 0 0 455.308 4.913 20 0 JJADRN Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC001462782640 1068166886 /nfs/dbraw/zinc/16/68/86/1068166886.db2.gz FBHNIKFBQOELTG-UHFFFAOYSA-N 0 0 458.967 4.975 20 0 JJADRN COC(=O)[C@@H](NC(=O)CN(C(=O)c1ccccc1)c1ccccc1)c1cccc2ccccc21 ZINC001462783944 1068166933 /nfs/dbraw/zinc/16/69/33/1068166933.db2.gz KMMPLSMTCUSBFE-SANMLTNESA-N 0 0 452.510 4.517 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC001462782957 1068166987 /nfs/dbraw/zinc/16/69/87/1068166987.db2.gz OULZVYJPWAZDMV-UHFFFAOYSA-N 0 0 456.472 4.633 20 0 JJADRN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC001462786724 1068167530 /nfs/dbraw/zinc/16/75/30/1068167530.db2.gz ZANWMQSSRGZGHF-UHFFFAOYSA-N 0 0 455.910 4.966 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC001462789320 1068167856 /nfs/dbraw/zinc/16/78/56/1068167856.db2.gz CZCQPNHKKJLMGA-IBGZPJMESA-N 0 0 453.944 4.785 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)CCc2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC001462790358 1068168050 /nfs/dbraw/zinc/16/80/50/1068168050.db2.gz CPOPWIFQTSZPKH-UHFFFAOYSA-N 0 0 459.995 4.932 20 0 JJADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(Br)cc3F)cc21 ZINC001462791776 1068168431 /nfs/dbraw/zinc/16/84/31/1068168431.db2.gz FBIKNSYLFVNRHR-UHFFFAOYSA-N 0 0 457.273 4.587 20 0 JJADRN O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC001462790651 1068168478 /nfs/dbraw/zinc/16/84/78/1068168478.db2.gz DYCAPVRIGUUETN-HYBUGGRVSA-N 0 0 455.551 4.503 20 0 JJADRN O=C(NCc1cc(Br)ccc1Cl)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001462792209 1068169074 /nfs/dbraw/zinc/16/90/74/1068169074.db2.gz CWKZNWNDEFMPNH-UHFFFAOYSA-N 0 0 459.653 4.632 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CCC1 ZINC001546134119 1068169560 /nfs/dbraw/zinc/16/95/60/1068169560.db2.gz MFPHBAVBVLRZCB-AREMUKBSSA-N 0 0 467.658 4.913 20 0 JJADRN CCOc1cc(CN(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC001462796534 1068169594 /nfs/dbraw/zinc/16/95/94/1068169594.db2.gz GNDNKFVZZASQEK-UHFFFAOYSA-N 0 0 454.322 4.955 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001462798747 1068170571 /nfs/dbraw/zinc/17/05/71/1068170571.db2.gz YPXLYAMCPWYGMG-FUHWJXTLSA-N 0 0 451.894 4.862 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001462803615 1068171679 /nfs/dbraw/zinc/17/16/79/1068171679.db2.gz DPJFQJZBUKWQJU-AVRDEDQJSA-N 0 0 466.525 4.706 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001462803046 1068171714 /nfs/dbraw/zinc/17/17/14/1068171714.db2.gz FOKBIFQMSXDQNV-UHFFFAOYSA-N 0 0 453.539 4.524 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)c1F ZINC001462802713 1068171804 /nfs/dbraw/zinc/17/18/04/1068171804.db2.gz CDZXGNJULSYCLE-UHFFFAOYSA-N 0 0 457.299 4.827 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1C ZINC001462809827 1068172810 /nfs/dbraw/zinc/17/28/10/1068172810.db2.gz XEEQPXGBWNKBIN-UHFFFAOYSA-N 0 0 459.608 4.689 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001462810310 1068172897 /nfs/dbraw/zinc/17/28/97/1068172897.db2.gz YGUBLYITEOWZBP-UHFFFAOYSA-N 0 0 453.539 4.524 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1)OCc1ccccc1 ZINC001462807855 1068172984 /nfs/dbraw/zinc/17/29/84/1068172984.db2.gz NGYVVUKTTJLUID-OIBXWCBGSA-N 0 0 477.026 4.902 20 0 JJADRN CCc1ccc(N(Cc2ccc(C)s2)S(=O)(=O)c2cnn(-c3ccccn3)c2C)cc1 ZINC001462811109 1068173315 /nfs/dbraw/zinc/17/33/15/1068173315.db2.gz YEYLLRKNIAQQCQ-UHFFFAOYSA-N 0 0 452.605 4.904 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)c1ccccc1OC(F)F ZINC001462812458 1068173940 /nfs/dbraw/zinc/17/39/40/1068173940.db2.gz BXKXEWPPYFLXNX-CQSZACIVSA-N 0 0 452.292 4.928 20 0 JJADRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)cc1 ZINC001462813046 1068173957 /nfs/dbraw/zinc/17/39/57/1068173957.db2.gz ARYAZXISAXCTSF-CQSZACIVSA-N 0 0 459.486 4.592 20 0 JJADRN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC001462813420 1068174492 /nfs/dbraw/zinc/17/44/92/1068174492.db2.gz LRTPMFDVIWFBQQ-UHFFFAOYSA-N 0 0 458.952 4.850 20 0 JJADRN CN(C[C@@H]1CCCCN1C(=O)CSCC(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC001462816797 1068175074 /nfs/dbraw/zinc/17/50/74/1068175074.db2.gz HOMKAGFNOPQRBV-SFHVURJKSA-N 0 0 455.020 4.504 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@H](Oc3cc(Cl)cc(Cl)c3)c3ccccc3)O2)CO1 ZINC001462816839 1068175097 /nfs/dbraw/zinc/17/50/97/1068175097.db2.gz KVJVQNMERYABLE-SJICOUNRSA-N 0 0 450.362 4.956 20 0 JJADRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cscc1C(F)F ZINC001462820426 1068175584 /nfs/dbraw/zinc/17/55/84/1068175584.db2.gz WUNOGOCHWCPDLY-ZDUSSCGKSA-N 0 0 455.335 4.784 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC001462816853 1068175623 /nfs/dbraw/zinc/17/56/23/1068175623.db2.gz NILRPUVYAKEDHV-LRDDRELGSA-N 0 0 455.354 4.552 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC001462818472 1068175655 /nfs/dbraw/zinc/17/56/55/1068175655.db2.gz SBWKLHXXAHGTGE-SMDDNHRTSA-N 0 0 458.349 4.667 20 0 JJADRN Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462821422 1068176216 /nfs/dbraw/zinc/17/62/16/1068176216.db2.gz DPBRCAWDSPLSSE-HOTGVXAUSA-N 0 0 453.461 4.568 20 0 JJADRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)Cc2ccc(Br)c(F)c2)cc1 ZINC001462820823 1068176228 /nfs/dbraw/zinc/17/62/28/1068176228.db2.gz ZBSDIDLETFLHDS-CQSZACIVSA-N 0 0 456.377 4.727 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1ccc(F)c(C(F)F)c1 ZINC001462822774 1068177461 /nfs/dbraw/zinc/17/74/61/1068177461.db2.gz INCAAJFURGUOEW-UHFFFAOYSA-N 0 0 456.218 4.603 20 0 JJADRN O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001462825365 1068178514 /nfs/dbraw/zinc/17/85/14/1068178514.db2.gz NDAANTHCEQYQPH-HNNXBMFYSA-N 0 0 453.844 4.965 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC001462827024 1068179521 /nfs/dbraw/zinc/17/95/21/1068179521.db2.gz WQPKWOIMIXVHGI-YZDOQNMSSA-N 0 0 458.814 4.652 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462828565 1068180203 /nfs/dbraw/zinc/18/02/03/1068180203.db2.gz WDJDWKHJYROAMP-DLBZAZTESA-N 0 0 458.521 4.568 20 0 JJADRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462828270 1068180240 /nfs/dbraw/zinc/18/02/40/1068180240.db2.gz AARCAYCHBQGVMF-MRXNPFEDSA-N 0 0 455.584 4.764 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@H]1CCCC2(CCC2)O1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001462830714 1068181933 /nfs/dbraw/zinc/18/19/33/1068181933.db2.gz GWJODMLXXDBQDJ-XMSQKQJNSA-N 0 0 457.596 4.803 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1Cl ZINC001462832469 1068182657 /nfs/dbraw/zinc/18/26/57/1068182657.db2.gz VHXJVXGQKLIBOM-INIZCTEOSA-N 0 0 458.967 4.949 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)cc1N1CCOCC1 ZINC001462833398 1068183141 /nfs/dbraw/zinc/18/31/41/1068183141.db2.gz ZUXNCFARMZKYJX-XMMPIXPASA-N 0 0 457.412 4.832 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)CCn1cnc2ccccc2c1=O ZINC001462833278 1068183175 /nfs/dbraw/zinc/18/31/75/1068183175.db2.gz RCLRCDVADSXWEE-UHFFFAOYSA-N 0 0 457.530 4.555 20 0 JJADRN O=C(NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)N1CCSCC1 ZINC001462835216 1068184506 /nfs/dbraw/zinc/18/45/06/1068184506.db2.gz YWZNMMNRRKBQTB-GOSISDBHSA-N 0 0 456.464 4.913 20 0 JJADRN CCC[C@@H](C)CS(=O)(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001462836743 1068184576 /nfs/dbraw/zinc/18/45/76/1068184576.db2.gz LKJYTAABKGZTCR-UTKZUKDTSA-N 0 0 452.711 4.925 20 0 JJADRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)C1(c3ccccc3Br)CCCCC1)O2 ZINC001462838671 1068185799 /nfs/dbraw/zinc/18/57/99/1068185799.db2.gz HTGSADBYFZVVRS-OIMFZILRSA-N 0 0 450.417 4.740 20 0 JJADRN Cc1sc2ncn(CCC(=O)N[C@@H](C)c3cccc(SC(F)(F)F)c3)c(=O)c2c1C ZINC001462840754 1068186316 /nfs/dbraw/zinc/18/63/16/1068186316.db2.gz QDEVCDSVDKIBOB-LBPRGKRZSA-N 0 0 455.527 4.954 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001462840722 1068186375 /nfs/dbraw/zinc/18/63/75/1068186375.db2.gz QCXIYDBJVMYBPX-GDBMZVCRSA-N 0 0 452.498 4.846 20 0 JJADRN O=S(=O)(NCCc1ccc(OCc2ccccc2)cc1)c1ccccc1OC(F)(F)F ZINC001462841233 1068186915 /nfs/dbraw/zinc/18/69/15/1068186915.db2.gz IMOCEEGIGLFJQR-UHFFFAOYSA-N 0 0 451.466 4.685 20 0 JJADRN O=S(=O)(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc(Br)s1 ZINC001462843710 1068187443 /nfs/dbraw/zinc/18/74/43/1068187443.db2.gz JCQJSDLORCUTOY-OAHLLOKOSA-N 0 0 456.358 4.748 20 0 JJADRN O=C(Nc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)c1)c1ccccc1 ZINC001462844244 1068187478 /nfs/dbraw/zinc/18/74/78/1068187478.db2.gz LYSRZUINPJKWGU-UHFFFAOYSA-N 0 0 456.829 4.774 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3nn(C(C)C)cc3Cl)nc2n1 ZINC001462845096 1068187965 /nfs/dbraw/zinc/18/79/65/1068187965.db2.gz KADHTGNFZBTHLJ-UHFFFAOYSA-N 0 0 455.975 4.717 20 0 JJADRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001462845310 1068188025 /nfs/dbraw/zinc/18/80/25/1068188025.db2.gz CZWXCJZOGCQBTO-ZDUSSCGKSA-N 0 0 458.349 4.537 20 0 JJADRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC001462847330 1068188674 /nfs/dbraw/zinc/18/86/74/1068188674.db2.gz WZGKBMJINOVKHA-GOSISDBHSA-N 0 0 456.372 4.909 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC001462846888 1068188687 /nfs/dbraw/zinc/18/86/87/1068188687.db2.gz FBAYXRAHVZDBOH-QFIPXVFZSA-N 0 0 450.000 4.619 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCN1c2ccccc2CC[C@@H]1C ZINC001462846618 1068188698 /nfs/dbraw/zinc/18/86/98/1068188698.db2.gz HMQKIOVBVNMNGV-AWEZNQCLSA-N 0 0 457.821 4.531 20 0 JJADRN Cc1ccc(CS(=O)(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1F ZINC001462848715 1068189347 /nfs/dbraw/zinc/18/93/47/1068189347.db2.gz LZKKHFQBPMSITJ-QGZVFWFLSA-N 0 0 458.530 4.635 20 0 JJADRN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1F ZINC001462848708 1068189360 /nfs/dbraw/zinc/18/93/60/1068189360.db2.gz LZKKHFQBPMSITJ-KRWDZBQOSA-N 0 0 458.530 4.635 20 0 JJADRN CCOC(=O)[C@@](C)(NC(=O)Cc1ccc(SCC)cc1Br)c1ccccc1 ZINC001462849068 1068189405 /nfs/dbraw/zinc/18/94/05/1068189405.db2.gz YXSDESWYCCTDQB-NRFANRHFSA-N 0 0 450.398 4.698 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1 ZINC001462849425 1068190018 /nfs/dbraw/zinc/19/00/18/1068190018.db2.gz HIMRCEWRFDIEFX-UHFFFAOYSA-N 0 0 457.573 4.567 20 0 JJADRN CCCc1ccccc1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001462849623 1068190042 /nfs/dbraw/zinc/19/00/42/1068190042.db2.gz OHTJRPHGRLWBMB-GOSISDBHSA-N 0 0 454.567 4.999 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001462852469 1068190509 /nfs/dbraw/zinc/19/05/09/1068190509.db2.gz FXAWGEQBLDUOIB-UHFFFAOYSA-N 0 0 450.919 4.934 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3COC(C)(C)C)cc2)C1 ZINC001462852154 1068191031 /nfs/dbraw/zinc/19/10/31/1068191031.db2.gz PSZQMUKELIMLNP-KDURUIRLSA-N 0 0 458.624 4.921 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001462855772 1068192500 /nfs/dbraw/zinc/19/25/00/1068192500.db2.gz WNNQZDATWSFIDG-UHFFFAOYSA-N 0 0 455.477 4.796 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1ccc2ncsc2c1 ZINC001462856934 1068192952 /nfs/dbraw/zinc/19/29/52/1068192952.db2.gz AHKTZRUBLRTRDZ-UHFFFAOYSA-N 0 0 455.561 4.751 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c(Cl)c1Cl ZINC001462857858 1068193276 /nfs/dbraw/zinc/19/32/76/1068193276.db2.gz MYCPUGPPPSJIMC-UHFFFAOYSA-N 0 0 452.306 4.512 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCc1ccc(OC2CCCC2)nc1 ZINC001462858395 1068193442 /nfs/dbraw/zinc/19/34/42/1068193442.db2.gz OHGXXLOCJHEQEP-UHFFFAOYSA-N 0 0 459.793 4.606 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1cnc2ccsc2c1 ZINC001462859722 1068194097 /nfs/dbraw/zinc/19/40/97/1068194097.db2.gz MVTDBKAMEIBPOX-UHFFFAOYSA-N 0 0 455.561 4.751 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NC(C)(C)/C=C\Cl)n2-c2ccc(C)cc2)cc1 ZINC001462861943 1068194300 /nfs/dbraw/zinc/19/43/00/1068194300.db2.gz HHPWYWXXJVCRGY-YPKPFQOOSA-N 0 0 456.999 4.991 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001462863077 1068195132 /nfs/dbraw/zinc/19/51/32/1068195132.db2.gz UGGBCKSIRRACPI-MRXNPFEDSA-N 0 0 454.315 4.872 20 0 JJADRN O=S(=O)(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc2cc(Cl)ccc2s1 ZINC001462865290 1068195659 /nfs/dbraw/zinc/19/56/59/1068195659.db2.gz LFBKLCVEEFSSMG-UHFFFAOYSA-N 0 0 456.967 4.776 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462865492 1068195699 /nfs/dbraw/zinc/19/56/99/1068195699.db2.gz YRWACHJRMOLNET-LBPRGKRZSA-N 0 0 452.787 4.881 20 0 JJADRN Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3cnc4ccsc4c3)c2)c1 ZINC001462866331 1068196031 /nfs/dbraw/zinc/19/60/31/1068196031.db2.gz ACEDPMTVNWQTHM-UHFFFAOYSA-N 0 0 452.561 4.727 20 0 JJADRN O=S(=O)(N1CCC(CCc2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 ZINC001462865891 1068196072 /nfs/dbraw/zinc/19/60/72/1068196072.db2.gz PXPSUCRGCLHSBC-UHFFFAOYSA-N 0 0 452.542 4.653 20 0 JJADRN C[S@](=O)(=NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 ZINC001462868074 1068196724 /nfs/dbraw/zinc/19/67/24/1068196724.db2.gz CEPRQBMBYHLWPX-XMMPIXPASA-N 0 0 459.324 4.827 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N=[S@](C)(=O)c2ccccc2Br)o1 ZINC001462869035 1068197364 /nfs/dbraw/zinc/19/73/64/1068197364.db2.gz GEZJWGDCEBJVLF-GYBKLEMWSA-N 0 0 454.342 4.694 20 0 JJADRN CC(C)Oc1ccc(CC[C@H](C)NS(=O)(=O)CCc2ccccc2Br)cc1 ZINC001462869910 1068197465 /nfs/dbraw/zinc/19/74/65/1068197465.db2.gz MBFFYKOKRNWPQA-KRWDZBQOSA-N 0 0 454.430 4.720 20 0 JJADRN C[S@@](=O)(=NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1ccccc1Br ZINC001462870696 1068197881 /nfs/dbraw/zinc/19/78/81/1068197881.db2.gz JJPYSNIOOTZKBE-NDEPHWFRSA-N 0 0 459.365 4.649 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c(C)cc1F ZINC001462873946 1068199080 /nfs/dbraw/zinc/19/90/80/1068199080.db2.gz SCOUENZHOKWVII-CYBMUJFWSA-N 0 0 459.461 4.854 20 0 JJADRN CCOc1c(Cl)cc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1OC ZINC001462873884 1068199163 /nfs/dbraw/zinc/19/91/63/1068199163.db2.gz VDHFILXPMHIMHA-UHFFFAOYSA-N 0 0 454.759 4.541 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001462879408 1068201158 /nfs/dbraw/zinc/20/11/58/1068201158.db2.gz OESWCBPFFIBKEQ-QGZVFWFLSA-N 0 0 452.551 4.996 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)CCC2Cc3ccccc3C2)cc(C)c1OCC(F)(F)F ZINC001462882309 1068202190 /nfs/dbraw/zinc/20/21/90/1068202190.db2.gz YWNYCLODEDZVTH-UHFFFAOYSA-N 0 0 455.542 4.811 20 0 JJADRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)c1 ZINC001462886399 1068203426 /nfs/dbraw/zinc/20/34/26/1068203426.db2.gz JUCVXZVLKGVLLL-RPWUZVMVSA-N 0 0 456.608 4.653 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CCc2ccc(Br)cc2)c1 ZINC001462888145 1068204026 /nfs/dbraw/zinc/20/40/26/1068204026.db2.gz MQUAUHRDPBBWKB-ZDUSSCGKSA-N 0 0 458.805 4.995 20 0 JJADRN COC(=O)c1c(F)ccc(F)c1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001462891712 1068204832 /nfs/dbraw/zinc/20/48/32/1068204832.db2.gz MHJSCUXEZZPMLC-UHFFFAOYSA-N 0 0 456.136 4.924 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC001462891628 1068204949 /nfs/dbraw/zinc/20/49/49/1068204949.db2.gz ZMYRXRDPLULAFV-CHWSQXEVSA-N 0 0 458.805 4.726 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC001462891787 1068205006 /nfs/dbraw/zinc/20/50/06/1068205006.db2.gz LXQZPEUPHCHLJW-SJCJKPOMSA-N 0 0 453.404 4.875 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c1 ZINC001462892484 1068205374 /nfs/dbraw/zinc/20/53/74/1068205374.db2.gz HNZYHPAQGMIOQD-OAHLLOKOSA-N 0 0 453.988 4.560 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001462893967 1068205971 /nfs/dbraw/zinc/20/59/71/1068205971.db2.gz NZDLYHRBFMVKDZ-QGZVFWFLSA-N 0 0 455.576 4.670 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001462893853 1068206003 /nfs/dbraw/zinc/20/60/03/1068206003.db2.gz NGTMKTCARSLNNW-INIZCTEOSA-N 0 0 454.430 4.942 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)c(F)c(F)c1F ZINC001462893639 1068206051 /nfs/dbraw/zinc/20/60/51/1068206051.db2.gz GMKLSCPDRZIFPC-RTBURBONSA-N 0 0 452.429 4.546 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC001462893858 1068206080 /nfs/dbraw/zinc/20/60/80/1068206080.db2.gz NGTMKTCARSLNNW-MRXNPFEDSA-N 0 0 454.430 4.942 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)OCc1ccccc1I ZINC001462895400 1068206522 /nfs/dbraw/zinc/20/65/22/1068206522.db2.gz NPJNCFXYNUAKRS-UHFFFAOYSA-N 0 0 459.283 4.551 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)NCC2(c3cccc(F)c3)CCCCC2)c1 ZINC001462896185 1068207045 /nfs/dbraw/zinc/20/70/45/1068207045.db2.gz GKXNVFYKTPQRSF-UHFFFAOYSA-N 0 0 456.377 4.777 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)NCC3(c4cccc(F)c4)CCCCC3)cc2N1 ZINC001462895978 1068207109 /nfs/dbraw/zinc/20/71/09/1068207109.db2.gz FGBQAEBDQKDGAB-UHFFFAOYSA-N 0 0 450.963 4.544 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(OC2CCCC2)cc1 ZINC001462896280 1068207131 /nfs/dbraw/zinc/20/71/31/1068207131.db2.gz NUSASNNETIUDRV-UHFFFAOYSA-N 0 0 450.000 4.688 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1Br ZINC001462897355 1068207637 /nfs/dbraw/zinc/20/76/37/1068207637.db2.gz ITVHCNIEYJYPIL-LBPRGKRZSA-N 0 0 452.292 4.738 20 0 JJADRN CO[C@H](Cc1ccccc1)CS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001462896825 1068207670 /nfs/dbraw/zinc/20/76/70/1068207670.db2.gz DVIPXXVXHMWKHH-OAQYLSRUSA-N 0 0 455.542 4.694 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)c3cc4nc(Cl)ncc4s3)CCCCC2)cc1 ZINC001462897110 1068207712 /nfs/dbraw/zinc/20/77/12/1068207712.db2.gz KQXWFDIRKUCTOF-UHFFFAOYSA-N 0 0 452.001 4.534 20 0 JJADRN COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC001462898591 1068208116 /nfs/dbraw/zinc/20/81/16/1068208116.db2.gz VDCYCCROAJKHIB-SFHVURJKSA-N 0 0 454.386 4.610 20 0 JJADRN Cc1cc(F)ccc1[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001462901617 1068209300 /nfs/dbraw/zinc/20/93/00/1068209300.db2.gz ROURPSWYNNVMOY-CQSZACIVSA-N 0 0 457.926 4.632 20 0 JJADRN CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC001462904051 1068209805 /nfs/dbraw/zinc/20/98/05/1068209805.db2.gz WKMMYFGTVPJFFF-UHFFFAOYSA-N 0 0 450.402 4.979 20 0 JJADRN COc1cc(-c2noc(CCC(=O)Nc3cccc4c(C)nccc34)n2)cc(Cl)c1OC ZINC001462910092 1068211683 /nfs/dbraw/zinc/21/16/83/1068211683.db2.gz XTUSNYOPNMGHSD-UHFFFAOYSA-N 0 0 452.898 4.835 20 0 JJADRN O=S(=O)(NCCSCc1cccc2ccccc21)c1cc(F)ccc1Br ZINC001462911537 1068212152 /nfs/dbraw/zinc/21/21/52/1068212152.db2.gz CLTLMKBMAJSMIE-UHFFFAOYSA-N 0 0 454.386 4.953 20 0 JJADRN Cc1sc(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc(Cl)cc1 ZINC001462911030 1068212261 /nfs/dbraw/zinc/21/22/61/1068212261.db2.gz YGEJRSIPZXQYBG-UHFFFAOYSA-N 0 0 458.895 4.572 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC001462913193 1068212701 /nfs/dbraw/zinc/21/27/01/1068212701.db2.gz SCZRDWLKGHLAIB-UHFFFAOYSA-N 0 0 451.514 4.945 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC001462921403 1068214786 /nfs/dbraw/zinc/21/47/86/1068214786.db2.gz HFZGBGMHQNVMLK-MRXNPFEDSA-N 0 0 450.482 4.805 20 0 JJADRN Cc1c(I)ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c1C ZINC001462922333 1068215297 /nfs/dbraw/zinc/21/52/97/1068215297.db2.gz IYVXBPIIXPWQAE-UHFFFAOYSA-N 0 0 453.305 4.591 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(Br)ccc1C1=NCCO1 ZINC001462921685 1068215462 /nfs/dbraw/zinc/21/54/62/1068215462.db2.gz YYTHBRXAJJJBQK-UHFFFAOYSA-N 0 0 456.365 4.834 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001462928183 1068217631 /nfs/dbraw/zinc/21/76/31/1068217631.db2.gz VPCFTNUCWRGDRW-CVEARBPZSA-N 0 0 458.967 4.677 20 0 JJADRN COC(=O)c1nscc1S(=O)(=O)N(Cc1ccc(-c2ccc(C)cc2)s1)C(C)C ZINC001462928613 1068217697 /nfs/dbraw/zinc/21/76/97/1068217697.db2.gz QNZOBBOFKIWNNU-UHFFFAOYSA-N 0 0 450.607 4.566 20 0 JJADRN CCC[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1)c1ccc(Cl)c(Cl)c1 ZINC001462929127 1068218235 /nfs/dbraw/zinc/21/82/35/1068218235.db2.gz UQDKJEIMQDAMMW-INIZCTEOSA-N 0 0 452.306 4.878 20 0 JJADRN C[C@@H](COCC1CCCCC1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001462930133 1068218279 /nfs/dbraw/zinc/21/82/79/1068218279.db2.gz KHCPGAJAHLIZHJ-KRWDZBQOSA-N 0 0 454.533 4.659 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462932007 1068219290 /nfs/dbraw/zinc/21/92/90/1068219290.db2.gz RJRCINHGFJTJSL-AZUAARDMSA-N 0 0 456.558 4.769 20 0 JJADRN Cc1ccccc1CO[C@@H](C)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001462931470 1068219306 /nfs/dbraw/zinc/21/93/06/1068219306.db2.gz PUCDIGVIGVDIJN-OALUTQOASA-N 0 0 456.558 4.769 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](C)COCC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462932327 1068219923 /nfs/dbraw/zinc/21/99/23/1068219923.db2.gz RGCQLNGMQRBVFY-HFXUHXBXSA-N 0 0 452.998 4.879 20 0 JJADRN Cc1cc(S(=O)(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(C)o1 ZINC001462933007 1068220339 /nfs/dbraw/zinc/22/03/39/1068220339.db2.gz PFHVNJWVSCSFFM-UHFFFAOYSA-N 0 0 455.967 4.924 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1F ZINC001462933768 1068220348 /nfs/dbraw/zinc/22/03/48/1068220348.db2.gz SMLWDOWACFMYLD-VIFPVBQESA-N 0 0 454.734 4.954 20 0 JJADRN CCN(c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(F)cc1Br ZINC001462937985 1068222241 /nfs/dbraw/zinc/22/22/41/1068222241.db2.gz IUZMBGHQOJFXLS-UHFFFAOYSA-N 0 0 451.155 4.707 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC001462940758 1068222720 /nfs/dbraw/zinc/22/27/20/1068222720.db2.gz CXEVFPYWZOSHPD-BLXZHSKZSA-N 0 0 455.020 4.895 20 0 JJADRN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)c(OCCC2CCCCC2)c1 ZINC001462940581 1068222818 /nfs/dbraw/zinc/22/28/18/1068222818.db2.gz CSTKTLSQQDLKML-INIZCTEOSA-N 0 0 458.418 4.562 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462945335 1068223999 /nfs/dbraw/zinc/22/39/99/1068223999.db2.gz BNAKTACLTRYUIZ-KPZWWZAWSA-N 0 0 457.468 4.504 20 0 JJADRN Cc1cccc(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 ZINC001462945627 1068224014 /nfs/dbraw/zinc/22/40/14/1068224014.db2.gz BMUMPOKOSZGVIZ-FQEVSTJZSA-N 0 0 452.016 4.852 20 0 JJADRN COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)ccc2cccnc21 ZINC001462944911 1068224032 /nfs/dbraw/zinc/22/40/32/1068224032.db2.gz HOGLEASTJJFDQH-MRXNPFEDSA-N 0 0 452.498 4.960 20 0 JJADRN COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001462947812 1068224436 /nfs/dbraw/zinc/22/44/36/1068224436.db2.gz MUAGKTOFAOSKFS-GFCCVEGCSA-N 0 0 456.408 4.518 20 0 JJADRN CN(C(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1ccc(Br)cc1 ZINC001462946424 1068224543 /nfs/dbraw/zinc/22/45/43/1068224543.db2.gz RRMTZSWUFSVWDQ-UHFFFAOYSA-N 0 0 453.123 4.578 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC001462946217 1068224570 /nfs/dbraw/zinc/22/45/70/1068224570.db2.gz JZTFTKYEQLPUAD-UHFFFAOYSA-N 0 0 458.805 4.704 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N2CCC[C@@H]2CC2CCCCC2)C1 ZINC001462948221 1068225545 /nfs/dbraw/zinc/22/55/45/1068225545.db2.gz LGCLJYAVGZYVQS-YADHBBJMSA-N 0 0 453.048 4.709 20 0 JJADRN COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC001462949017 1068225602 /nfs/dbraw/zinc/22/56/02/1068225602.db2.gz KJMREXLNQXEMMA-MWTRTKDXSA-N 0 0 464.345 4.749 20 0 JJADRN CCc1cc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c(C)cc1OC ZINC001462952553 1068226795 /nfs/dbraw/zinc/22/67/95/1068226795.db2.gz XIKLCUPGEQNFGR-QHCPKHFHSA-N 0 0 457.567 4.976 20 0 JJADRN CCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)cc1 ZINC001462952822 1068227630 /nfs/dbraw/zinc/22/76/30/1068227630.db2.gz HBMBEEAOZQWEJA-UHFFFAOYSA-N 0 0 456.391 4.597 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Cl)c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001462954638 1068228220 /nfs/dbraw/zinc/22/82/20/1068228220.db2.gz OPKFWXIIAIDWJL-UHFFFAOYSA-N 0 0 454.148 4.643 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)Oc1cccc2ccc(N3CCCC3)nc21 ZINC001462956202 1068228759 /nfs/dbraw/zinc/22/87/59/1068228759.db2.gz UUQSXHUZFGGDOX-UHFFFAOYSA-N 0 0 453.383 4.735 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)N(C)Cc3cccc(C(F)(F)F)c3)ccc2s1 ZINC001462957561 1068229563 /nfs/dbraw/zinc/22/95/63/1068229563.db2.gz AMEWUWZYNZCLBF-UHFFFAOYSA-N 0 0 457.495 4.918 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1Br ZINC001462957609 1068229762 /nfs/dbraw/zinc/22/97/62/1068229762.db2.gz BTEMTKGLYFAXCM-UHFFFAOYSA-N 0 0 452.292 4.687 20 0 JJADRN Cc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CC(Cl)(Cl)C4=O)C2)cc1 ZINC001462960208 1068229987 /nfs/dbraw/zinc/22/99/87/1068229987.db2.gz BBUZXMFHRPVMTN-QGZVFWFLSA-N 0 0 452.403 4.551 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1sc(C2CCCC2)nc1C)c1cccc(Br)c1 ZINC001462959951 1068230016 /nfs/dbraw/zinc/23/00/16/1068230016.db2.gz CVNIXEBOUOTMGO-HXUWFJFHSA-N 0 0 451.386 4.690 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(C)c1OC ZINC001462960424 1068230340 /nfs/dbraw/zinc/23/03/40/1068230340.db2.gz LOVWNPJLLZGIRV-UHFFFAOYSA-N 0 0 456.589 4.735 20 0 JJADRN CCOc1cc2c(cc1OCC)CN(S(=O)(=O)c1nc(C)sc1-c1ccccc1)CC2 ZINC001462964513 1068231355 /nfs/dbraw/zinc/23/13/55/1068231355.db2.gz FLMOMAMDKIERBO-UHFFFAOYSA-N 0 0 458.605 4.663 20 0 JJADRN COc1cc(C(=O)NCCOC2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001462968689 1068232880 /nfs/dbraw/zinc/23/28/80/1068232880.db2.gz RKVQDXYZRQRDDK-UHFFFAOYSA-N 0 0 454.350 4.506 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462974215 1068234445 /nfs/dbraw/zinc/23/44/45/1068234445.db2.gz OSYYOIBSMQSKKD-HXOBKFHXSA-N 0 0 452.917 4.873 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cccnc3)n2)cc1 ZINC001462973881 1068234482 /nfs/dbraw/zinc/23/44/82/1068234482.db2.gz MXUKJTJVYAMDIQ-UHFFFAOYSA-N 0 0 458.543 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)/C=C/c2ccsc2)c2ccccc21 ZINC001462975893 1068234990 /nfs/dbraw/zinc/23/49/90/1068234990.db2.gz IUWHGCAYCFECLM-LTPVEEIWSA-N 0 0 454.592 4.918 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)COC/C=C\c2ccccc2)C1 ZINC001462976585 1068235810 /nfs/dbraw/zinc/23/58/10/1068235810.db2.gz NBAHSLGXNNXGJO-RYGYDFEPSA-N 0 0 450.579 4.837 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1NC(=O)OC(C)(C)C ZINC001462977415 1068236251 /nfs/dbraw/zinc/23/62/51/1068236251.db2.gz OKPCJLHWZPNRFZ-UHFFFAOYSA-N 0 0 453.539 4.976 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc(F)c1F ZINC001462978535 1068236817 /nfs/dbraw/zinc/23/68/17/1068236817.db2.gz BRGOBSJYFLSODL-AWEZNQCLSA-N 0 0 450.507 4.863 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(N(C)C)cc(C(F)(F)F)c3)o2)cc1 ZINC001462979480 1068237526 /nfs/dbraw/zinc/23/75/26/1068237526.db2.gz RBZWCKPVWBWWNW-UHFFFAOYSA-N 0 0 452.458 4.561 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(Br)c1 ZINC001462980314 1068237631 /nfs/dbraw/zinc/23/76/31/1068237631.db2.gz MHQDWGKRAZTPAT-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC001462982960 1068238682 /nfs/dbraw/zinc/23/86/82/1068238682.db2.gz XNGRFTRTUQXRHM-UHFFFAOYSA-N 0 0 458.967 4.545 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001462982978 1068239415 /nfs/dbraw/zinc/23/94/15/1068239415.db2.gz ZNZOTVQFCWVWAN-RBUKOAKNSA-N 0 0 454.542 4.904 20 0 JJADRN CC(C)Cc1ccc([C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001462984314 1068239464 /nfs/dbraw/zinc/23/94/64/1068239464.db2.gz AGXFKGZCEPSLTH-VXKWHMMOSA-N 0 0 450.645 4.655 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)Cc1ccc(F)cc1Br ZINC001462984554 1068239864 /nfs/dbraw/zinc/23/98/64/1068239864.db2.gz NOGSZCHZDJOFNZ-SNVBAGLBSA-N 0 0 455.176 4.946 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1C ZINC001462985751 1068239998 /nfs/dbraw/zinc/23/99/98/1068239998.db2.gz CSJHWCSGJDPDKE-OAQYLSRUSA-N 0 0 458.580 4.961 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC001462986272 1068240574 /nfs/dbraw/zinc/24/05/74/1068240574.db2.gz TZAOYXUAFSFFTB-GOSISDBHSA-N 0 0 454.361 4.828 20 0 JJADRN COCC[C@@H](C)S(=O)(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC001462993150 1068242686 /nfs/dbraw/zinc/24/26/86/1068242686.db2.gz FVHWFQYZMPHBAB-GFCCVEGCSA-N 0 0 453.429 4.620 20 0 JJADRN COC[C@H](CNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21)C(C)C ZINC001462994100 1068242783 /nfs/dbraw/zinc/24/27/83/1068242783.db2.gz PKTLFMVSGGTWKS-SFHVURJKSA-N 0 0 452.551 4.576 20 0 JJADRN Cc1c(NC(=O)CCN2C(=O)COc3ccccc32)cc(Br)cc1C(F)(F)F ZINC001462993503 1068242799 /nfs/dbraw/zinc/24/27/99/1068242799.db2.gz XZYKSEYRHOVXCC-UHFFFAOYSA-N 0 0 457.246 4.531 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@H](CNC(C)=O)C2)CCC1 ZINC001546135728 1068243155 /nfs/dbraw/zinc/24/31/55/1068243155.db2.gz DQIPKBZDBOJJPU-GOSISDBHSA-N 0 0 474.447 4.640 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001462999276 1068244358 /nfs/dbraw/zinc/24/43/58/1068244358.db2.gz GDTGPWLKVAWIFW-XMMPIXPASA-N 0 0 458.986 4.716 20 0 JJADRN O=S(=O)(Cc1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001462999273 1068244556 /nfs/dbraw/zinc/24/45/56/1068244556.db2.gz GDTGPWLKVAWIFW-DEOSSOPVSA-N 0 0 458.986 4.716 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cc(Cl)cc4c3OCC4)cs2)cc1OC ZINC001463001465 1068245599 /nfs/dbraw/zinc/24/55/99/1068245599.db2.gz LOCZHKJWSMKZBK-ZDUSSCGKSA-N 0 0 458.967 4.836 20 0 JJADRN COC(=O)C1(c2ccc(S(=O)(=O)NCc3ccccc3-c3ccc(Cl)cc3)cc2)CC1 ZINC001463002169 1068245611 /nfs/dbraw/zinc/24/56/11/1068245611.db2.gz SFBFDSZZNPLBFQ-UHFFFAOYSA-N 0 0 455.963 4.690 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCC1)c1cc(Br)c(F)cc1F ZINC001463003161 1068245759 /nfs/dbraw/zinc/24/57/59/1068245759.db2.gz DNFFAAKFPGZSEB-UHFFFAOYSA-N 0 0 450.732 4.781 20 0 JJADRN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(Cl)cc2c1OCC2 ZINC001463004342 1068246148 /nfs/dbraw/zinc/24/61/48/1068246148.db2.gz WTCKGJSPURPMHZ-CYBMUJFWSA-N 0 0 453.892 4.783 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC001463007308 1068247990 /nfs/dbraw/zinc/24/79/90/1068247990.db2.gz ITQMZHDUCTYYTI-ZDUSSCGKSA-N 0 0 450.885 4.611 20 0 JJADRN CCC[C@@H](Cc1ccccc1)N(CCC)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001463006842 1068248129 /nfs/dbraw/zinc/24/81/29/1068248129.db2.gz QLBCQFRVWYELHA-SFHVURJKSA-N 0 0 458.045 4.556 20 0 JJADRN O=C(OCc1ccccc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC001463007965 1068248590 /nfs/dbraw/zinc/24/85/90/1068248590.db2.gz KXVNXGZVPRJMDG-UHFFFAOYSA-N 0 0 450.343 4.829 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC001463008695 1068248633 /nfs/dbraw/zinc/24/86/33/1068248633.db2.gz NRYFYIMNLMLAFW-UHFFFAOYSA-N 0 0 450.482 4.543 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001463008048 1068248694 /nfs/dbraw/zinc/24/86/94/1068248694.db2.gz MECSSLSUUQSQSX-UHFFFAOYSA-N 0 0 454.777 4.525 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)Oc1cccc(OCC(F)(F)F)c1 ZINC001463010446 1068249792 /nfs/dbraw/zinc/24/97/92/1068249792.db2.gz QRKSOCGOYFGXFH-UHFFFAOYSA-N 0 0 459.667 4.952 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001463010121 1068249837 /nfs/dbraw/zinc/24/98/37/1068249837.db2.gz PKLLZGDLKTZPFR-UHFFFAOYSA-N 0 0 454.283 4.907 20 0 JJADRN O=S(=O)(Cc1ccsc1Br)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001463011388 1068250253 /nfs/dbraw/zinc/25/02/53/1068250253.db2.gz XSAAYUOBKDJARO-UHFFFAOYSA-N 0 0 454.333 4.681 20 0 JJADRN CC1=C(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)SCCO1 ZINC001463012858 1068250917 /nfs/dbraw/zinc/25/09/17/1068250917.db2.gz CAMMFLWOKORSHY-UHFFFAOYSA-N 0 0 451.445 4.770 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001463012312 1068250950 /nfs/dbraw/zinc/25/09/50/1068250950.db2.gz BUYUDXWUCWCRON-TUSQITKMSA-N 0 0 456.652 4.852 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC001463012309 1068251042 /nfs/dbraw/zinc/25/10/42/1068251042.db2.gz BUYUDXWUCWCRON-GVXSCFBNSA-N 0 0 456.652 4.852 20 0 JJADRN Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463012536 1068251061 /nfs/dbraw/zinc/25/10/61/1068251061.db2.gz PVGQPDPFFWMASI-SECBINFHSA-N 0 0 450.185 4.955 20 0 JJADRN CC(C)Cn1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)n1 ZINC001463014179 1068251478 /nfs/dbraw/zinc/25/14/78/1068251478.db2.gz JIPOQOURVDPTAB-UHFFFAOYSA-N 0 0 459.447 4.942 20 0 JJADRN CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC001463015274 1068252091 /nfs/dbraw/zinc/25/20/91/1068252091.db2.gz AJBAZKICRARGJW-KRWDZBQOSA-N 0 0 457.523 4.621 20 0 JJADRN O=C(COc1ccc(F)c(Cl)c1)NCc1ccc(Br)c(Br)c1 ZINC001463014986 1068252132 /nfs/dbraw/zinc/25/21/32/1068252132.db2.gz AEWDIWXKEDQPNQ-UHFFFAOYSA-N 0 0 451.517 4.699 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2cccc(-c3nc(C)cs3)c2)c(F)c1Cl ZINC001463016376 1068252530 /nfs/dbraw/zinc/25/25/30/1068252530.db2.gz JCSXHBSIHNQLPX-UHFFFAOYSA-N 0 0 458.895 4.776 20 0 JJADRN O=S(=O)(c1ccc(OCC(F)F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001463016628 1068252540 /nfs/dbraw/zinc/25/25/40/1068252540.db2.gz KLBMHNXAUHFNQD-UHFFFAOYSA-N 0 0 453.507 4.583 20 0 JJADRN Cc1ccccc1CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001463019132 1068253803 /nfs/dbraw/zinc/25/38/03/1068253803.db2.gz LNYWVGMOAIGWGM-HXUWFJFHSA-N 0 0 452.016 4.896 20 0 JJADRN CC(C)(C)c1noc(CCCC(=O)NCc2ccc(Br)c(Br)c2)n1 ZINC001463021952 1068255110 /nfs/dbraw/zinc/25/51/10/1068255110.db2.gz PTSCOHDFDHTNFG-UHFFFAOYSA-N 0 0 459.182 4.531 20 0 JJADRN O=S(=O)(N[C@H]1CCc2c1cccc2Br)c1ccc(OCc2ccccc2)cc1 ZINC001463025824 1068256312 /nfs/dbraw/zinc/25/63/12/1068256312.db2.gz PZUKRZXGGVFGFM-QFIPXVFZSA-N 0 0 458.377 4.994 20 0 JJADRN CCCNC(=O)Nc1cccc(OS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1 ZINC001463031019 1068257342 /nfs/dbraw/zinc/25/73/42/1068257342.db2.gz JXQXKMOWMYEODU-UHFFFAOYSA-N 0 0 452.838 4.538 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1cccc2c1OC(C)(C)C2)Sc1ccc(Br)cc1 ZINC001463030385 1068257649 /nfs/dbraw/zinc/25/76/49/1068257649.db2.gz FAWYNBNRNPCBHM-ZDUSSCGKSA-N 0 0 456.427 4.622 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC001463036959 1068259448 /nfs/dbraw/zinc/25/94/48/1068259448.db2.gz CAVKBIHQWFUQMU-NSHDSACASA-N 0 0 454.283 4.658 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1OS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC001463037970 1068259519 /nfs/dbraw/zinc/25/95/19/1068259519.db2.gz GBIQHXDDCLRRMF-UHFFFAOYSA-N 0 0 455.513 4.933 20 0 JJADRN CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC001463039434 1068260290 /nfs/dbraw/zinc/26/02/90/1068260290.db2.gz DCCPSLSWRHDYCS-LJQANCHMSA-N 0 0 452.363 4.592 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3Cc3ccc(F)cc3)cc2N1 ZINC001463041448 1068261012 /nfs/dbraw/zinc/26/10/12/1068261012.db2.gz QDUHGOOIXDLZDE-GOSISDBHSA-N 0 0 450.963 4.540 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3Cc3ccc(F)cc3)cc2N1 ZINC001463041453 1068261082 /nfs/dbraw/zinc/26/10/82/1068261082.db2.gz QDUHGOOIXDLZDE-SFHVURJKSA-N 0 0 450.963 4.540 20 0 JJADRN CCN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC001463042749 1068261580 /nfs/dbraw/zinc/26/15/80/1068261580.db2.gz UEERCDYIQSYSIF-HSZRJFAPSA-N 0 0 454.523 4.554 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1N1CCC[C@@H](C)C1 ZINC001463044845 1068262484 /nfs/dbraw/zinc/26/24/84/1068262484.db2.gz UZEREEBMEZSYQW-QGZVFWFLSA-N 0 0 453.988 4.759 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001463045867 1068263888 /nfs/dbraw/zinc/26/38/88/1068263888.db2.gz CPOWDCJPVDZBBK-QHCPKHFHSA-N 0 0 454.567 4.580 20 0 JJADRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001463046641 1068264350 /nfs/dbraw/zinc/26/43/50/1068264350.db2.gz LTPJUFIUVJPSIN-QFIPXVFZSA-N 0 0 458.624 4.894 20 0 JJADRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001463046634 1068264367 /nfs/dbraw/zinc/26/43/67/1068264367.db2.gz LTPJUFIUVJPSIN-JOCHJYFZSA-N 0 0 458.624 4.894 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001463049837 1068265635 /nfs/dbraw/zinc/26/56/35/1068265635.db2.gz QJNNXJYNEIPTCJ-KIEFCZNCSA-N 0 0 459.782 4.850 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc(Br)cnc1Cl ZINC001463052831 1068266978 /nfs/dbraw/zinc/26/69/78/1068266978.db2.gz GDEFYPXFECKEQK-HNNXBMFYSA-N 0 0 450.185 4.971 20 0 JJADRN CC(C)(C)c1csc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)n1 ZINC001463054534 1068267880 /nfs/dbraw/zinc/26/78/80/1068267880.db2.gz HRGPOIQATNYFTG-UHFFFAOYSA-N 0 0 458.230 4.988 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001463055396 1068267936 /nfs/dbraw/zinc/26/79/36/1068267936.db2.gz LKMMFTANGDKQNZ-IFMALSPDSA-N 0 0 481.524 4.512 20 0 JJADRN COc1cc(F)c(Br)cc1S(=O)(=O)NCC1CCC(c2ccccc2)CC1 ZINC001463056016 1068268561 /nfs/dbraw/zinc/26/85/61/1068268561.db2.gz DAUHTONAGNVHDU-UHFFFAOYSA-N 0 0 456.377 4.849 20 0 JJADRN O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001463055833 1068268606 /nfs/dbraw/zinc/26/86/06/1068268606.db2.gz RHBLWEGGBCPHPH-FCHUYYIVSA-N 0 0 453.048 4.672 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC001463059362 1068269229 /nfs/dbraw/zinc/26/92/29/1068269229.db2.gz PQWNMZLBGBURPK-UHFFFAOYSA-N 0 0 458.967 4.808 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1 ZINC001463057251 1068269428 /nfs/dbraw/zinc/26/94/28/1068269428.db2.gz ZNAMZYHQTGZIBX-UHFFFAOYSA-N 0 0 453.944 4.725 20 0 JJADRN Cc1c(Br)cncc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001463058757 1068269838 /nfs/dbraw/zinc/26/98/38/1068269838.db2.gz RCOLWYUEMPDIIZ-UHFFFAOYSA-N 0 0 452.352 4.797 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001463059643 1068269914 /nfs/dbraw/zinc/26/99/14/1068269914.db2.gz SLSGQBGLZHYLDA-OAQYLSRUSA-N 0 0 451.466 4.803 20 0 JJADRN Cc1c(Br)cncc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001463059790 1068270054 /nfs/dbraw/zinc/27/00/54/1068270054.db2.gz URWKSYNXYXZFCG-MRXNPFEDSA-N 0 0 457.155 4.703 20 0 JJADRN COC(=O)c1csc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c1 ZINC001463060326 1068270616 /nfs/dbraw/zinc/27/06/16/1068270616.db2.gz WIHFPTBGLUDOMG-IBGZPJMESA-N 0 0 453.944 4.704 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)c12 ZINC001463061075 1068270645 /nfs/dbraw/zinc/27/06/45/1068270645.db2.gz DCSNCZVJNFFXDW-IVCQMTBJSA-N 0 0 456.587 4.647 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC001463061796 1068271166 /nfs/dbraw/zinc/27/11/66/1068271166.db2.gz HCODUOYJCVBFBE-INIZCTEOSA-N 0 0 456.739 4.924 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)N3CCCC[C@@H]3C3(CNC(=O)OC(C)(C)C)CCC3)cc2)o1 ZINC001463062452 1068271512 /nfs/dbraw/zinc/27/15/12/1068271512.db2.gz GKWDJVZWGGMIDO-HXUWFJFHSA-N 0 0 454.571 4.735 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(F)c1Br ZINC001463062604 1068271808 /nfs/dbraw/zinc/27/18/08/1068271808.db2.gz LAEOWBWKYORIRY-SFHVURJKSA-N 0 0 450.348 4.590 20 0 JJADRN CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463062827 1068272015 /nfs/dbraw/zinc/27/20/15/1068272015.db2.gz HWDBWYOXQMPGPM-UHFFFAOYSA-N 0 0 459.974 4.548 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001463064853 1068272828 /nfs/dbraw/zinc/27/28/28/1068272828.db2.gz CWVBINGORGCWLO-SFHVURJKSA-N 0 0 454.633 4.570 20 0 JJADRN CC(C)Sc1ccc([C@H](C)NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001463065976 1068274007 /nfs/dbraw/zinc/27/40/07/1068274007.db2.gz DWIOKTAVKNUOCM-KRWDZBQOSA-N 0 0 455.605 4.874 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cs2)cc1 ZINC001463067515 1068274672 /nfs/dbraw/zinc/27/46/72/1068274672.db2.gz OOWRBKVEOHRNPY-KBMIEXCESA-N 0 0 455.624 4.957 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001463070398 1068276652 /nfs/dbraw/zinc/27/66/52/1068276652.db2.gz WWIJZHXPSLLIAD-SPLOXXLWSA-N 0 0 455.368 4.806 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(F)c(C(F)F)c1)C1CCCCC1 ZINC001463076762 1068279058 /nfs/dbraw/zinc/27/90/58/1068279058.db2.gz KXTQYEVJPNNBAV-KRWDZBQOSA-N 0 0 450.523 4.515 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C1CC1 ZINC001463076635 1068279151 /nfs/dbraw/zinc/27/91/51/1068279151.db2.gz JVJAMPROVBJPGR-KRWDZBQOSA-N 0 0 459.203 4.950 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001463077559 1068279501 /nfs/dbraw/zinc/27/95/01/1068279501.db2.gz XEOLITOZNRQNFS-LOSJGSFVSA-N 0 0 454.592 4.935 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC001463077558 1068279550 /nfs/dbraw/zinc/27/95/50/1068279550.db2.gz XEOLITOZNRQNFS-JWQCQUIFSA-N 0 0 454.592 4.935 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)n2c1 ZINC001463077393 1068279625 /nfs/dbraw/zinc/27/96/25/1068279625.db2.gz NOAANAIRPWHVDA-FQEVSTJZSA-N 0 0 452.574 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C(C)(C)C1 ZINC001463077309 1068279634 /nfs/dbraw/zinc/27/96/34/1068279634.db2.gz LSBPTKNWSKFCPJ-KRWDZBQOSA-N 0 0 453.370 4.554 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CCC(C)(C)[C@@H](c4ccccc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001463079170 1068280066 /nfs/dbraw/zinc/28/00/66/1068280066.db2.gz GHRICGMPRXWYAD-WIYYLYMNSA-N 0 0 452.599 4.678 20 0 JJADRN CC(C)c1ccc(CCCNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC001463081315 1068280711 /nfs/dbraw/zinc/28/07/11/1068280711.db2.gz TVXJKNMVEPNIOU-UHFFFAOYSA-N 0 0 450.398 4.858 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccc([C@H](C)CC(N)=O)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001463081794 1068281046 /nfs/dbraw/zinc/28/10/46/1068281046.db2.gz CFWOZYAWNBYASP-CQSZACIVSA-N 0 0 459.472 4.641 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)ccc1C ZINC001463084356 1068281796 /nfs/dbraw/zinc/28/17/96/1068281796.db2.gz HQRKONQUNMYFTH-INIZCTEOSA-N 0 0 458.407 4.882 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)ccc1C ZINC001463084359 1068281923 /nfs/dbraw/zinc/28/19/23/1068281923.db2.gz HQRKONQUNMYFTH-MRXNPFEDSA-N 0 0 458.407 4.882 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001463089156 1068282930 /nfs/dbraw/zinc/28/29/30/1068282930.db2.gz QNTLVDXQHINNFE-FQEVSTJZSA-N 0 0 456.951 4.529 20 0 JJADRN COc1c(Cl)cccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001463087330 1068282966 /nfs/dbraw/zinc/28/29/66/1068282966.db2.gz MVONWMFPOAKEDO-HXUWFJFHSA-N 0 0 457.958 4.582 20 0 JJADRN CCCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 ZINC001463087907 1068283003 /nfs/dbraw/zinc/28/30/03/1068283003.db2.gz AQBZMBCGRNYFTC-UHFFFAOYSA-N 0 0 459.955 4.601 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463091489 1068283553 /nfs/dbraw/zinc/28/35/53/1068283553.db2.gz HSEMXIUGVFLLHK-FQEVSTJZSA-N 0 0 451.954 4.712 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463093319 1068284043 /nfs/dbraw/zinc/28/40/43/1068284043.db2.gz KNYCSXXQJBKRTJ-MRXNPFEDSA-N 0 0 453.739 4.585 20 0 JJADRN COc1ccccc1Oc1ccc(CNS(=O)(=O)c2cscc2Br)cc1 ZINC001463094613 1068284599 /nfs/dbraw/zinc/28/45/99/1068284599.db2.gz IOFOQJHMVDYHKG-UHFFFAOYSA-N 0 0 454.367 4.790 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1Cl ZINC001463094602 1068284837 /nfs/dbraw/zinc/28/48/37/1068284837.db2.gz IHQDZGWMAHTJNV-OAHLLOKOSA-N 0 0 453.313 4.565 20 0 JJADRN C[C@H](CC(N)=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 ZINC001463098610 1068286057 /nfs/dbraw/zinc/28/60/57/1068286057.db2.gz ZUYPEXXFFBGLCL-CYBMUJFWSA-N 0 0 457.361 4.899 20 0 JJADRN Cc1ccccc1[C@H](CC(C)C)NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463098084 1068286204 /nfs/dbraw/zinc/28/62/04/1068286204.db2.gz MMXJMWZKHWNMAF-UPVQGACJSA-N 0 0 458.624 4.803 20 0 JJADRN COc1cccc(-c2ccc(CNS(=O)(=O)c3ccc(C)c(C(=O)OC(C)C)c3)cc2)c1 ZINC001463099654 1068286914 /nfs/dbraw/zinc/28/69/14/1068286914.db2.gz PQXNAHXYYJXBQT-UHFFFAOYSA-N 0 0 453.560 4.714 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c1 ZINC001463105701 1068289599 /nfs/dbraw/zinc/28/95/99/1068289599.db2.gz LHQCMHCKYOPAPU-UHFFFAOYSA-N 0 0 453.402 4.589 20 0 JJADRN Cc1cnc(CNS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)s1 ZINC001463108791 1068289984 /nfs/dbraw/zinc/28/99/84/1068289984.db2.gz DNEXIGAWINMSPF-UHFFFAOYSA-N 0 0 457.346 4.624 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)C1)c1ccc(Cl)cc1 ZINC001463109686 1068290506 /nfs/dbraw/zinc/29/05/06/1068290506.db2.gz ZTCHFFBTPXWIFG-OAHLLOKOSA-N 0 0 456.167 4.791 20 0 JJADRN O=S(=O)(c1ccc(F)c(F)c1F)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001463113301 1068291639 /nfs/dbraw/zinc/29/16/39/1068291639.db2.gz NLFWNPMVGAONAQ-UHFFFAOYSA-N 0 0 454.297 4.890 20 0 JJADRN COc1cccc([C@@H](NS(=O)(=O)c2cnn(-c3ccccc3)c2)c2ccccc2Cl)c1 ZINC001463115204 1068292127 /nfs/dbraw/zinc/29/21/27/1068292127.db2.gz ULVKIDSOVAEZAP-HSZRJFAPSA-N 0 0 453.951 4.602 20 0 JJADRN O=C(COc1ccccc1)Nc1ccccc1OS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001463116134 1068292722 /nfs/dbraw/zinc/29/27/22/1068292722.db2.gz AZYHFNHPORRFFH-UHFFFAOYSA-N 0 0 452.315 4.779 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC001463118255 1068293693 /nfs/dbraw/zinc/29/36/93/1068293693.db2.gz IDXRTANKABRSFY-UHFFFAOYSA-N 0 0 452.389 4.717 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001463120482 1068293739 /nfs/dbraw/zinc/29/37/39/1068293739.db2.gz AYTAYOKWLCJMIO-UHFFFAOYSA-N 0 0 453.589 4.514 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1F)c1c(F)cccc1Br ZINC001463121254 1068294355 /nfs/dbraw/zinc/29/43/55/1068294355.db2.gz DHMXEKWJXKKZFZ-IBGZPJMESA-N 0 0 452.320 4.990 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)N1Cc2ccccc2C1=O ZINC001463121461 1068294614 /nfs/dbraw/zinc/29/46/14/1068294614.db2.gz JWLFSVCPXYOKGC-IRLDBZIGSA-N 0 0 455.396 4.663 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc21 ZINC001463122840 1068295076 /nfs/dbraw/zinc/29/50/76/1068295076.db2.gz CKPXGGGZBVMUSP-JOCHJYFZSA-N 0 0 455.963 4.705 20 0 JJADRN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCc2c(Cl)ccc(Br)c2C1 ZINC001463123432 1068295546 /nfs/dbraw/zinc/29/55/46/1068295546.db2.gz FXSAYALGPFNTCB-MRXNPFEDSA-N 0 0 450.760 4.859 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001463123196 1068295584 /nfs/dbraw/zinc/29/55/84/1068295584.db2.gz HEWAPEBAABJEPH-ZVZYQTTQSA-N 0 0 457.942 4.855 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC001463126974 1068296528 /nfs/dbraw/zinc/29/65/28/1068296528.db2.gz PSEBCRQTRQKGEB-MGPLVRAMSA-N 0 0 453.185 4.810 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001463127776 1068296678 /nfs/dbraw/zinc/29/66/78/1068296678.db2.gz PZUVKGBADMZWSQ-UHFFFAOYSA-N 0 0 457.354 4.836 20 0 JJADRN COCc1ccccc1S(=O)(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001463127692 1068296752 /nfs/dbraw/zinc/29/67/52/1068296752.db2.gz KAOIDAGLZJRNAC-UHFFFAOYSA-N 0 0 452.454 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC(=O)NCCCCSc2ccccc2Br)C1 ZINC001463129081 1068297176 /nfs/dbraw/zinc/29/71/76/1068297176.db2.gz BOKXKTZODHVBDK-UHFFFAOYSA-N 0 0 459.406 4.667 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)cc21 ZINC001463135641 1068299208 /nfs/dbraw/zinc/29/92/08/1068299208.db2.gz PICVIRLSLBBDCJ-UHFFFAOYSA-N 0 0 455.967 4.570 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)NCCCCSc3ccccc3Br)cc2o1 ZINC001463137517 1068299525 /nfs/dbraw/zinc/29/95/25/1068299525.db2.gz PGWFXCWJUHCBGH-UHFFFAOYSA-N 0 0 455.399 4.750 20 0 JJADRN O=S(=O)(NCC1(c2cccc(F)c2)CC1)c1cc(Cl)c(Cl)cc1Br ZINC001463138383 1068299687 /nfs/dbraw/zinc/29/96/87/1068299687.db2.gz NWBCIVDZIUOOCZ-UHFFFAOYSA-N 0 0 453.160 4.905 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1OC ZINC001463139577 1068300025 /nfs/dbraw/zinc/30/00/25/1068300025.db2.gz UCJMACKLEKBXGW-LJQANCHMSA-N 0 0 451.972 4.750 20 0 JJADRN C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)C1 ZINC001463142378 1068300992 /nfs/dbraw/zinc/30/09/92/1068300992.db2.gz LBSBECCDCKDBDB-OZOXKJRCSA-N 0 0 455.380 4.810 20 0 JJADRN COc1ccc(OC)c(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001463142615 1068301078 /nfs/dbraw/zinc/30/10/78/1068301078.db2.gz LWDWXAXRNWJIKI-UHFFFAOYSA-N 0 0 455.308 4.971 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@]3(C)CCCCO3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463142364 1068301238 /nfs/dbraw/zinc/30/12/38/1068301238.db2.gz FADZGWKXYAGKLF-VXQMPNGUSA-N 0 0 450.579 4.563 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001463143892 1068301488 /nfs/dbraw/zinc/30/14/88/1068301488.db2.gz BBGUEJYXCXUGFR-IVZBYUQCSA-N 0 0 455.405 4.889 20 0 JJADRN C[C@]1(Cc2ccc(I)cc2)CCCN1C(=O)[C@H]1CC(=O)c2ccccc21 ZINC001463145102 1068301730 /nfs/dbraw/zinc/30/17/30/1068301730.db2.gz YOQOWGJTSNODBN-SIKLNZKXSA-N 0 0 459.327 4.585 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C1CC1)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001463150021 1068303628 /nfs/dbraw/zinc/30/36/28/1068303628.db2.gz UDEYAXNUAQHMOR-JTHBVZDNSA-N 0 0 456.608 4.874 20 0 JJADRN CC(C)COc1cc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)ccc1Br ZINC001463149171 1068303845 /nfs/dbraw/zinc/30/38/45/1068303845.db2.gz KACHIAQFLGASFY-ZDUSSCGKSA-N 0 0 451.386 4.702 20 0 JJADRN CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC001463152046 1068304682 /nfs/dbraw/zinc/30/46/82/1068304682.db2.gz APIZOZHPMNQTAF-INIZCTEOSA-N 0 0 453.004 4.602 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccn2)c1 ZINC001463156083 1068306183 /nfs/dbraw/zinc/30/61/83/1068306183.db2.gz IWGXCQWTTMGPJZ-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CCCC1 ZINC001546136999 1068306305 /nfs/dbraw/zinc/30/63/05/1068306305.db2.gz BAYNBRVQAKBTEQ-FQEVSTJZSA-N 0 0 454.663 4.631 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546137051 1068307685 /nfs/dbraw/zinc/30/76/85/1068307685.db2.gz DDEDHRJSXCKXTA-GOSISDBHSA-N 0 0 453.612 4.521 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC001463166241 1068308447 /nfs/dbraw/zinc/30/84/47/1068308447.db2.gz IFTUPFFESJWZEA-SFHVURJKSA-N 0 0 456.873 4.830 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001463169649 1068308955 /nfs/dbraw/zinc/30/89/55/1068308955.db2.gz QFCYTTFQBHIKFO-FPOVZHCZSA-N 0 0 450.000 4.541 20 0 JJADRN CC(C)c1cncc(NC(=O)Cc2cc(Br)cc(I)c2)c1 ZINC001463173175 1068309143 /nfs/dbraw/zinc/30/91/43/1068309143.db2.gz IDINOIGYHXHNLW-UHFFFAOYSA-N 0 0 459.125 4.753 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)C[C@H](OC)C1CCCCC1)c1ccccc1Cl ZINC001463171692 1068309205 /nfs/dbraw/zinc/30/92/05/1068309205.db2.gz WUYXAVJHUICILE-GOTSBHOMSA-N 0 0 452.016 4.953 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)c(C)cc1Br ZINC001463172191 1068309287 /nfs/dbraw/zinc/30/92/87/1068309287.db2.gz IACZBBWJNBFTHK-UHFFFAOYSA-N 0 0 454.720 4.799 20 0 JJADRN CCOC(=O)C1(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)CCCC1 ZINC001463175970 1068310261 /nfs/dbraw/zinc/31/02/61/1068310261.db2.gz JCBYUBNKBKNVEW-UHFFFAOYSA-N 0 0 454.592 4.579 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2s1 ZINC001463180789 1068311290 /nfs/dbraw/zinc/31/12/90/1068311290.db2.gz DMMITMYKXNNUOE-UHFFFAOYSA-N 0 0 459.589 4.655 20 0 JJADRN C[C@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC[C@@H]1c1ccccc1 ZINC001463180692 1068311339 /nfs/dbraw/zinc/31/13/39/1068311339.db2.gz CRJXLZYWBPTVQK-OZTAZYLFSA-N 0 0 470.635 4.537 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001463181206 1068311743 /nfs/dbraw/zinc/31/17/43/1068311743.db2.gz ZLRBYZADEYAZCR-QHCPKHFHSA-N 0 0 451.592 4.674 20 0 JJADRN Cc1ccc(I)c(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC001463182115 1068312043 /nfs/dbraw/zinc/31/20/43/1068312043.db2.gz LYUCSKFGMHARRH-UHFFFAOYSA-N 0 0 452.361 4.565 20 0 JJADRN COCCOCCOc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2)cc1Br ZINC001463182183 1068312455 /nfs/dbraw/zinc/31/24/55/1068312455.db2.gz MEWHIVHYOOIETD-SQFISAMPSA-N 0 0 452.320 4.672 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)Oc1ccc(F)cc1 ZINC001463183006 1068312576 /nfs/dbraw/zinc/31/25/76/1068312576.db2.gz LGUQJJJJDGDGHQ-VIFPVBQESA-N 0 0 457.148 4.641 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC001463184738 1068312822 /nfs/dbraw/zinc/31/28/22/1068312822.db2.gz QNCUTUXNUWSJIL-CYBMUJFWSA-N 0 0 450.885 4.565 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)CC1 ZINC001463183885 1068313010 /nfs/dbraw/zinc/31/30/10/1068313010.db2.gz HNNMDNYSIVHZSF-SEYXRHQNSA-N 0 0 453.379 4.723 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC001463183879 1068313026 /nfs/dbraw/zinc/31/30/26/1068313026.db2.gz HNNMDNYSIVHZSF-OUKQBFOZSA-N 0 0 453.379 4.723 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)c1 ZINC001463186481 1068313346 /nfs/dbraw/zinc/31/33/46/1068313346.db2.gz WJGOJJRQPLRIPU-UHFFFAOYSA-N 0 0 451.544 4.777 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)cc(C(F)(F)F)c1 ZINC001463185416 1068313600 /nfs/dbraw/zinc/31/36/00/1068313600.db2.gz YMWUGLMLAGCMBL-UHFFFAOYSA-N 0 0 453.486 4.849 20 0 JJADRN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC001463186449 1068313614 /nfs/dbraw/zinc/31/36/14/1068313614.db2.gz NYFBIEAOXXCVGM-FQEVSTJZSA-N 0 0 456.612 4.849 20 0 JJADRN COc1ccc(C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)CC2)cc1 ZINC001463185982 1068313747 /nfs/dbraw/zinc/31/37/47/1068313747.db2.gz VBJWVVYGMRPDHF-UHFFFAOYSA-N 0 0 458.805 4.821 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCC(C)(C)O1)CCO2 ZINC001463186757 1068314085 /nfs/dbraw/zinc/31/40/85/1068314085.db2.gz LVXNKGLLSKVBRD-FYYLOGMGSA-N 0 0 459.608 4.699 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCc3cccnc32)cc1)c1cccc(Br)c1 ZINC001463189175 1068314482 /nfs/dbraw/zinc/31/44/82/1068314482.db2.gz RHYGQCQLTWOSJS-FQEVSTJZSA-N 0 0 450.336 4.904 20 0 JJADRN COCCOc1ccc(NC(=O)c2ccc(SC(F)(F)F)nc2)cc1Br ZINC001463189310 1068314642 /nfs/dbraw/zinc/31/46/42/1068314642.db2.gz DCPVBSZGVWKILK-UHFFFAOYSA-N 0 0 451.264 4.734 20 0 JJADRN CC[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC001463188439 1068314703 /nfs/dbraw/zinc/31/47/03/1068314703.db2.gz UCVKGHRUKOWHDN-VIFPVBQESA-N 0 0 450.838 4.846 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCc3cccnc32)cc1)c1ccc(Br)cc1 ZINC001463190091 1068315136 /nfs/dbraw/zinc/31/51/36/1068315136.db2.gz VEZBPZAAPHWUAK-FQEVSTJZSA-N 0 0 450.336 4.904 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cnn(C)c1 ZINC001463191256 1068315490 /nfs/dbraw/zinc/31/54/90/1068315490.db2.gz LQRAOHHGQOEVHC-MRXNPFEDSA-N 0 0 459.394 4.771 20 0 JJADRN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)Oc1cccc(F)c1 ZINC001463192128 1068315611 /nfs/dbraw/zinc/31/56/11/1068315611.db2.gz GBTCHZLMAWJABI-SECBINFHSA-N 0 0 457.148 4.641 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(I)cc2)o1 ZINC001463196539 1068316975 /nfs/dbraw/zinc/31/69/75/1068316975.db2.gz KNCFBDZQHLLULM-CXAGYDPISA-N 0 0 459.349 4.609 20 0 JJADRN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1(CC)CC ZINC001463201957 1068318680 /nfs/dbraw/zinc/31/86/80/1068318680.db2.gz KHYFACZMNHACMN-CABCVRRESA-N 0 0 458.340 4.730 20 0 JJADRN COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001463205841 1068319625 /nfs/dbraw/zinc/31/96/25/1068319625.db2.gz YNKJNNCBVNMKLX-QKKBWIMNSA-N 0 0 456.951 4.504 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)ccc2s1 ZINC001463205040 1068319779 /nfs/dbraw/zinc/31/97/79/1068319779.db2.gz CSUWLROAYYTERD-FQEVSTJZSA-N 0 0 454.548 4.968 20 0 JJADRN O=C(Nc1nc2ccc3scnc3c2s1)c1cc(I)ccc1F ZINC001463204943 1068319823 /nfs/dbraw/zinc/31/98/23/1068319823.db2.gz DMGRQLORWYPMTR-UHFFFAOYSA-N 0 0 455.277 4.902 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001463205848 1068319855 /nfs/dbraw/zinc/31/98/55/1068319855.db2.gz QYJNOVNIKBNDPJ-GOSISDBHSA-N 0 0 452.816 4.587 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H](c3ccc(F)cc3F)C3CC3)cc21 ZINC001463208650 1068320655 /nfs/dbraw/zinc/32/06/55/1068320655.db2.gz YWJMXKISUCEJRI-LJQANCHMSA-N 0 0 455.324 4.649 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c2ccccc2N(C)C1=O ZINC001463212204 1068321828 /nfs/dbraw/zinc/32/18/28/1068321828.db2.gz DDZKNQBLHYTSIY-MRXNPFEDSA-N 0 0 456.951 4.940 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)[C@H](O)c1ccccc1F ZINC001463215396 1068322789 /nfs/dbraw/zinc/32/27/89/1068322789.db2.gz WITMVKJRBNDGQD-BJKOFHAPSA-N 0 0 457.567 4.812 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)[C@H](O)c1ccccc1F ZINC001463215404 1068322882 /nfs/dbraw/zinc/32/28/82/1068322882.db2.gz WITMVKJRBNDGQD-DNQXCXABSA-N 0 0 457.567 4.812 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC001463219681 1068323827 /nfs/dbraw/zinc/32/38/27/1068323827.db2.gz MKGAODMMUMBTJE-FQEVSTJZSA-N 0 0 453.507 4.902 20 0 JJADRN C[C@H](C(=O)N[C@H](Cc1ccccc1)c1ccccn1)c1ccc(I)cc1 ZINC001463221271 1068324666 /nfs/dbraw/zinc/32/46/66/1068324666.db2.gz FTSOESGPEZVKJW-HRAATJIYSA-N 0 0 456.327 4.890 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC001463224037 1068326055 /nfs/dbraw/zinc/32/60/55/1068326055.db2.gz ZKGXHBJMJBAZQY-XERREHJYSA-N 0 0 457.514 4.843 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001463225484 1068326381 /nfs/dbraw/zinc/32/63/81/1068326381.db2.gz WDMVHVOFCQWOTH-JTSKRJEESA-N 0 0 454.357 4.842 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1C(C)C ZINC001463225281 1068326503 /nfs/dbraw/zinc/32/65/03/1068326503.db2.gz TVBKJKFDNPBRCI-INIZCTEOSA-N 0 0 459.568 4.697 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC(OCCCc2ccccc2)C1 ZINC001463226745 1068327027 /nfs/dbraw/zinc/32/70/27/1068327027.db2.gz CPPSJKJNENQKJW-UHFFFAOYSA-N 0 0 450.000 4.541 20 0 JJADRN Cc1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Br)[C@@H](C)C2)cc1C ZINC001463226651 1068327043 /nfs/dbraw/zinc/32/70/43/1068327043.db2.gz CEQPRJBFQKEGRU-HNNXBMFYSA-N 0 0 457.821 4.619 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC001463225714 1068327121 /nfs/dbraw/zinc/32/71/21/1068327121.db2.gz WDRPRJHMNOKDOZ-UHFFFAOYSA-N 0 0 451.928 4.608 20 0 JJADRN O=C(NCc1ccc(-c2cnco2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001463225850 1068327207 /nfs/dbraw/zinc/32/72/07/1068327207.db2.gz AGMSOWMXKWZRFJ-GOSISDBHSA-N 0 0 458.345 4.817 20 0 JJADRN Cc1ccc(CS(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c(F)c1 ZINC001463228191 1068327787 /nfs/dbraw/zinc/32/77/87/1068327787.db2.gz AIIVAPDZUAXHLF-IBGZPJMESA-N 0 0 452.551 4.796 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)ccc1C ZINC001463228796 1068328316 /nfs/dbraw/zinc/32/83/16/1068328316.db2.gz SGTCLAVVXVKYID-JOCHJYFZSA-N 0 0 455.580 4.628 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1cccc(Cl)c1 ZINC001463231056 1068328718 /nfs/dbraw/zinc/32/87/18/1068328718.db2.gz QEICXEOJKPPNDV-KRWDZBQOSA-N 0 0 452.725 4.867 20 0 JJADRN COC(=O)C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC001463230277 1068328907 /nfs/dbraw/zinc/32/89/07/1068328907.db2.gz PZGHGZCUEBDDNW-QGZVFWFLSA-N 0 0 456.789 4.756 20 0 JJADRN CC1(C)CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)O1 ZINC001463230535 1068329030 /nfs/dbraw/zinc/32/90/30/1068329030.db2.gz BBILDTXPMLOVMQ-HXUWFJFHSA-N 0 0 454.571 4.629 20 0 JJADRN O=C(NCc1ncc(Br)cn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001463233792 1068329815 /nfs/dbraw/zinc/32/98/15/1068329815.db2.gz OIWAMHHOTWUWOP-UHFFFAOYSA-N 0 0 458.259 4.796 20 0 JJADRN CSc1ccccc1S(=O)(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC001463236300 1068330202 /nfs/dbraw/zinc/33/02/02/1068330202.db2.gz IDUYHWUNRIWQHV-IBGZPJMESA-N 0 0 455.527 4.793 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001463235086 1068330364 /nfs/dbraw/zinc/33/03/64/1068330364.db2.gz FYXQDOKKTSYERB-MRXNPFEDSA-N 0 0 458.942 4.857 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCOC[C@H]1CC1CCOCC1 ZINC001463235566 1068330576 /nfs/dbraw/zinc/33/05/76/1068330576.db2.gz VZWINSSFRIUEKL-GOSISDBHSA-N 0 0 454.514 4.795 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(CC)CC ZINC001463235475 1068330607 /nfs/dbraw/zinc/33/06/07/1068330607.db2.gz GJAPJIHYZZWBMQ-IAGOWNOFSA-N 0 0 452.842 4.848 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)ccc1F ZINC001463236656 1068330882 /nfs/dbraw/zinc/33/08/82/1068330882.db2.gz JRLCBNWEVNNRGM-HSZRJFAPSA-N 0 0 456.539 4.506 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)c2ccccc21 ZINC001463237179 1068331008 /nfs/dbraw/zinc/33/10/08/1068331008.db2.gz XKUUAJTYZZFGJF-OAHLLOKOSA-N 0 0 455.352 4.947 20 0 JJADRN COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001463239121 1068331351 /nfs/dbraw/zinc/33/13/51/1068331351.db2.gz NVHYOIOEBQEPBQ-KSFYIVLOSA-N 0 0 459.951 4.961 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1Br ZINC001463239074 1068331472 /nfs/dbraw/zinc/33/14/72/1068331472.db2.gz MBLSKJLKZGTKAH-KRWDZBQOSA-N 0 0 458.443 4.540 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001463238275 1068331594 /nfs/dbraw/zinc/33/15/94/1068331594.db2.gz IXYQTZQZDYPWAZ-UHFFFAOYSA-N 0 0 457.036 4.901 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCC2(Sc3ccc(C)cc3)CCCC2)s1 ZINC001463239458 1068331840 /nfs/dbraw/zinc/33/18/40/1068331840.db2.gz UGLAHLUGISPMTC-INIZCTEOSA-N 0 0 452.667 4.637 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)cc1 ZINC001463240545 1068331882 /nfs/dbraw/zinc/33/18/82/1068331882.db2.gz PSWGAHJMBYEQPE-IBGZPJMESA-N 0 0 450.560 4.606 20 0 JJADRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC2(Sc3ccc(C)cc3)CCCC2)s1 ZINC001463239468 1068331920 /nfs/dbraw/zinc/33/19/20/1068331920.db2.gz UGLAHLUGISPMTC-MRXNPFEDSA-N 0 0 452.667 4.637 20 0 JJADRN O=S(=O)(CCc1c(F)cccc1F)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463240248 1068332091 /nfs/dbraw/zinc/33/20/91/1068332091.db2.gz ZMHCIWPTASILTN-AWEZNQCLSA-N 0 0 450.334 4.687 20 0 JJADRN COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC001463246166 1068333502 /nfs/dbraw/zinc/33/35/02/1068333502.db2.gz BYDOXIJXZFHRFL-FQEVSTJZSA-N 0 0 451.560 4.713 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CCCc1ccc(Br)s1 ZINC001463247311 1068333848 /nfs/dbraw/zinc/33/38/48/1068333848.db2.gz GPOVUNMCVYHRDM-JLTOFOAXSA-N 0 0 457.434 4.739 20 0 JJADRN CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)/C=C/c2cccc(OC3CCCC3)c2)C1 ZINC001463247732 1068333887 /nfs/dbraw/zinc/33/38/87/1068333887.db2.gz ZDRVVGNGPNKOIL-VAWYXSNFSA-N 0 0 452.555 4.648 20 0 JJADRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1cc(F)ccc1OC(C)C)C[C@H](C)O2 ZINC001463246946 1068333905 /nfs/dbraw/zinc/33/39/05/1068333905.db2.gz PUUUAWSSTAMBHP-ZDUSSCGKSA-N 0 0 458.349 4.660 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)CCC1Cc2ccccc2C1 ZINC001463249920 1068334223 /nfs/dbraw/zinc/33/42/23/1068334223.db2.gz NFVFUGUBIGPMPK-RUZDIDTESA-N 0 0 456.558 4.906 20 0 JJADRN CC(C)C1CCC(N2CCN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)CC1 ZINC001463248038 1068334572 /nfs/dbraw/zinc/33/45/72/1068334572.db2.gz DALWKORKYDULQP-UHFFFAOYSA-N 0 0 452.970 4.880 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N(C)[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc3)cc12 ZINC001463251223 1068334781 /nfs/dbraw/zinc/33/47/81/1068334781.db2.gz BDOQVNIGAGUOBC-OAQYLSRUSA-N 0 0 459.930 4.988 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001463250386 1068334917 /nfs/dbraw/zinc/33/49/17/1068334917.db2.gz LVPKNIUPTOQBDZ-UHFFFAOYSA-N 0 0 457.292 4.781 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)C2)c1 ZINC001463252743 1068335224 /nfs/dbraw/zinc/33/52/24/1068335224.db2.gz JEULQDLPMTUSPO-NRFANRHFSA-N 0 0 453.539 4.587 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCOC[C@]1(C)C1CC1 ZINC001463253512 1068335789 /nfs/dbraw/zinc/33/57/89/1068335789.db2.gz KHHOIPFPYZXTSO-OAQYLSRUSA-N 0 0 455.546 4.975 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c1 ZINC001463253008 1068335930 /nfs/dbraw/zinc/33/59/30/1068335930.db2.gz DEJXWUYKJPHCBH-OAQYLSRUSA-N 0 0 455.498 4.526 20 0 JJADRN C[C@@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)c1ccc(F)cc1F ZINC001463253975 1068336125 /nfs/dbraw/zinc/33/61/25/1068336125.db2.gz TXUIVQQXCLJDRD-SNVBAGLBSA-N 0 0 459.337 4.890 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)c1ccc(C)cc1 ZINC001463258878 1068336806 /nfs/dbraw/zinc/33/68/06/1068336806.db2.gz WEWGCCUCMRNQGV-JOCHJYFZSA-N 0 0 453.583 4.961 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC001463257215 1068337003 /nfs/dbraw/zinc/33/70/03/1068337003.db2.gz FSTDCTCZXMHBMO-JTHBVZDNSA-N 0 0 458.624 4.660 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001463261493 1068337539 /nfs/dbraw/zinc/33/75/39/1068337539.db2.gz YDBDGZGBUZRMTA-MSOLQXFVSA-N 0 0 460.621 4.719 20 0 JJADRN O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC001463262267 1068337909 /nfs/dbraw/zinc/33/79/09/1068337909.db2.gz SDKPPBYBMWDMBU-APWZRJJASA-N 0 0 455.548 4.555 20 0 JJADRN CN([C@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC001463262928 1068338307 /nfs/dbraw/zinc/33/83/07/1068338307.db2.gz KWAWMCMFEXLOIB-GOSISDBHSA-N 0 0 459.852 4.698 20 0 JJADRN CN([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001463263101 1068338341 /nfs/dbraw/zinc/33/83/41/1068338341.db2.gz UDNJDDUSMMGNSE-DEOSSOPVSA-N 0 0 458.986 4.877 20 0 JJADRN COc1cccc([C@@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2cc(F)ccc2OC)c1 ZINC001463263646 1068338421 /nfs/dbraw/zinc/33/84/21/1068338421.db2.gz OZEXOAAXKGTUBP-HSZRJFAPSA-N 0 0 459.539 4.536 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(C)(C)C ZINC001463263994 1068338824 /nfs/dbraw/zinc/33/88/24/1068338824.db2.gz UFESLKHMMNZCRY-JOCHJYFZSA-N 0 0 450.670 4.827 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1C(C)(C)C ZINC001463265579 1068339349 /nfs/dbraw/zinc/33/93/49/1068339349.db2.gz LIVXHEUOKTZYLC-UHFFFAOYSA-N 0 0 452.567 4.562 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC001463264609 1068339502 /nfs/dbraw/zinc/33/95/02/1068339502.db2.gz UXGDUXMOVWFZRJ-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4cc(Cl)cc(Cl)c4[C@@H]3C)cc21 ZINC001463264596 1068339538 /nfs/dbraw/zinc/33/95/38/1068339538.db2.gz XNSSSXCHKNSZKT-ZDUSSCGKSA-N 0 0 453.391 4.601 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001463266012 1068339611 /nfs/dbraw/zinc/33/96/11/1068339611.db2.gz MCRFDGBLNBUHPG-UHFFFAOYSA-N 0 0 457.766 4.951 20 0 JJADRN CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)Cc2ccc(Br)c(F)c2)cc1 ZINC001463269476 1068340088 /nfs/dbraw/zinc/34/00/88/1068340088.db2.gz YWNBOKASLDLERL-UHFFFAOYSA-N 0 0 458.349 4.506 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001463269584 1068340124 /nfs/dbraw/zinc/34/01/24/1068340124.db2.gz FOVDIMLEIZRQTN-GFCCVEGCSA-N 0 0 453.185 4.892 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC001463273400 1068341009 /nfs/dbraw/zinc/34/10/09/1068341009.db2.gz XGWYIFWFZSTBTO-STQMWFEESA-N 0 0 459.395 4.773 20 0 JJADRN O=S(=O)(c1c[nH]c(C(F)(F)F)c1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001463277478 1068341939 /nfs/dbraw/zinc/34/19/39/1068341939.db2.gz MWLDHTNPMJDFGT-UHFFFAOYSA-N 0 0 457.301 4.710 20 0 JJADRN Cc1cc2cc(S(=O)(=O)NCCc3nc4cc(Cl)ccc4s3)ccc2nc1Cl ZINC001463281958 1068343605 /nfs/dbraw/zinc/34/36/05/1068343605.db2.gz CMOHFPQJKOGDBE-UHFFFAOYSA-N 0 0 452.388 4.981 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC001463282350 1068343766 /nfs/dbraw/zinc/34/37/66/1068343766.db2.gz YPUZBESWSYXMHK-SFHVURJKSA-N 0 0 454.702 4.563 20 0 JJADRN COc1cccc(C=C2CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)CC2)c1 ZINC001463282909 1068343814 /nfs/dbraw/zinc/34/38/14/1068343814.db2.gz FPJANFJLGOAAHA-UHFFFAOYSA-N 0 0 458.324 4.604 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 ZINC001546137771 1068344666 /nfs/dbraw/zinc/34/46/66/1068344666.db2.gz DHHNCZLWBMUVDA-VFNWGFHPSA-N 0 0 458.484 4.886 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1ccccc1 ZINC001463287877 1068345234 /nfs/dbraw/zinc/34/52/34/1068345234.db2.gz NCXKQEIDXOBPFX-QHCPKHFHSA-N 0 0 459.608 4.865 20 0 JJADRN C[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463289459 1068345822 /nfs/dbraw/zinc/34/58/22/1068345822.db2.gz JDFFIMLOMCZNSH-XDHUDOTRSA-N 0 0 459.496 4.939 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)CCOc1ccccc1I)C(C)(C)C ZINC001463290480 1068346625 /nfs/dbraw/zinc/34/66/25/1068346625.db2.gz OMUXZRYVIJGJHT-LJQANCHMSA-N 0 0 452.336 4.667 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1C(F)(F)F ZINC001463293258 1068346950 /nfs/dbraw/zinc/34/69/50/1068346950.db2.gz MUCLEXDWWHLWCO-IIBYNOLFSA-N 0 0 453.482 4.582 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1(OC(C)C)CCCCC1 ZINC001463293383 1068347037 /nfs/dbraw/zinc/34/70/37/1068347037.db2.gz JFVBFFRHTQCPPZ-UHFFFAOYSA-N 0 0 454.814 4.517 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CCC2 ZINC001463294045 1068347475 /nfs/dbraw/zinc/34/74/75/1068347475.db2.gz JLPXQOPVGFMGNG-GFCCVEGCSA-N 0 0 454.923 4.956 20 0 JJADRN CCOCCOc1cc(C)ccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001463294307 1068347597 /nfs/dbraw/zinc/34/75/97/1068347597.db2.gz KVLAUTBCTAWIKT-UHFFFAOYSA-N 0 0 452.787 4.849 20 0 JJADRN COCCO[C@]12CCC[C@@]1(NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCO2 ZINC001463294805 1068348182 /nfs/dbraw/zinc/34/81/82/1068348182.db2.gz AIOVYXMBMVGTDX-IFEVLTCRSA-N 0 0 467.406 4.556 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OS(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC001463298634 1068349053 /nfs/dbraw/zinc/34/90/53/1068349053.db2.gz VXDOVIIBLVBLEJ-UHFFFAOYSA-N 0 0 454.939 4.676 20 0 JJADRN CCCc1c(C(=O)N(C)CCc2ccc(OCC)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001463299225 1068349307 /nfs/dbraw/zinc/34/93/07/1068349307.db2.gz OXXUKHMTZAHEKM-UHFFFAOYSA-N 0 0 457.521 4.825 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1Cl ZINC001463301097 1068349531 /nfs/dbraw/zinc/34/95/31/1068349531.db2.gz QVQLNCWNTCRRKI-UHFFFAOYSA-N 0 0 455.857 4.591 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccc1Cl)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001463302356 1068349983 /nfs/dbraw/zinc/34/99/83/1068349983.db2.gz WUDMDQINCQLZGK-UYAOXDASSA-N 0 0 457.901 4.589 20 0 JJADRN CC(C)C1CCC(CNS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001463301278 1068350117 /nfs/dbraw/zinc/35/01/17/1068350117.db2.gz VFBQBDGTKGSFLV-SDVLMSEASA-N 0 0 450.645 4.560 20 0 JJADRN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1c(Cl)ccc(I)c1F ZINC001463303803 1068350130 /nfs/dbraw/zinc/35/01/30/1068350130.db2.gz ITWFTUHWZDTUSE-LLVKDONJSA-N 0 0 450.078 4.634 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCOC12CCOCC2)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001463305132 1068350347 /nfs/dbraw/zinc/35/03/47/1068350347.db2.gz KJEFRTPEFNBLPM-HNNXBMFYSA-N 0 0 455.407 4.849 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cc2)cc1 ZINC001463307595 1068351186 /nfs/dbraw/zinc/35/11/86/1068351186.db2.gz KAZURPRMKFAWIV-HRAATJIYSA-N 0 0 451.635 4.534 20 0 JJADRN CC(C)(C)c1ccnc(NC(=O)c2cc(I)c(Cl)cc2Cl)n1 ZINC001463310111 1068351542 /nfs/dbraw/zinc/35/15/42/1068351542.db2.gz NXIQDPPIICKVQF-UHFFFAOYSA-N 0 0 450.107 4.938 20 0 JJADRN O=C(Oc1cccc(OS(=O)(=O)c2cccc(Br)c2F)c1)c1ccccc1 ZINC001463309653 1068351559 /nfs/dbraw/zinc/35/15/59/1068351559.db2.gz PCWIGGSOLBGLIO-UHFFFAOYSA-N 0 0 451.269 4.575 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)c3ccc(-c4ccc(OC)cc4F)cc3F)nc21 ZINC001463313737 1068352800 /nfs/dbraw/zinc/35/28/00/1068352800.db2.gz KZABFGFPGHBWDS-UHFFFAOYSA-N 0 0 451.429 4.946 20 0 JJADRN CCCCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC001463315768 1068353342 /nfs/dbraw/zinc/35/33/42/1068353342.db2.gz HFZZDTZZKNMDFI-GFCCVEGCSA-N 0 0 452.798 4.623 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1cnc(Br)c(Cl)c1 ZINC001463315680 1068353348 /nfs/dbraw/zinc/35/33/48/1068353348.db2.gz AZACFEVRPRUBIU-UHFFFAOYSA-N 0 0 453.123 4.613 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001463317573 1068353706 /nfs/dbraw/zinc/35/37/06/1068353706.db2.gz HKNIPLWYKIICKL-AWEZNQCLSA-N 0 0 450.760 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)NC(CCc2ccccc2)CCc2ccccc2)CC1 ZINC001463318271 1068354394 /nfs/dbraw/zinc/35/43/94/1068354394.db2.gz CQFIZPFODJYDFE-UHFFFAOYSA-N 0 0 451.611 4.883 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c1)C(F)(F)F ZINC001463321130 1068355557 /nfs/dbraw/zinc/35/55/57/1068355557.db2.gz IVRUBKVHVBEZLD-FNDLEWIFSA-N 0 0 452.498 4.834 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC001463322603 1068355892 /nfs/dbraw/zinc/35/58/92/1068355892.db2.gz RPIHZWQUMGXCFJ-AWEZNQCLSA-N 0 0 451.386 4.895 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001463323232 1068356188 /nfs/dbraw/zinc/35/61/88/1068356188.db2.gz DRRZFHIHGGYNHZ-KBPBESRZSA-N 0 0 459.033 4.869 20 0 JJADRN O=S(=O)(c1ccc2ccnc(Cl)c2c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001463325314 1068356493 /nfs/dbraw/zinc/35/64/93/1068356493.db2.gz UMLRVHZEHGCYBY-OAQYLSRUSA-N 0 0 458.992 4.874 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001463325533 1068357081 /nfs/dbraw/zinc/35/70/81/1068357081.db2.gz ODAOTJVGIXDHIA-WFNYABRHSA-N 0 0 455.002 4.608 20 0 JJADRN CCOc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1OC(F)F ZINC001463325979 1068357093 /nfs/dbraw/zinc/35/70/93/1068357093.db2.gz HUEASWNWHAFICM-UHFFFAOYSA-N 0 0 459.820 4.837 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C)cc1O[C@@H](C)CC ZINC001463325137 1068357118 /nfs/dbraw/zinc/35/71/18/1068357118.db2.gz ZIDONHJCCNOJQD-HNNXBMFYSA-N 0 0 456.402 4.812 20 0 JJADRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC001463324579 1068357157 /nfs/dbraw/zinc/35/71/57/1068357157.db2.gz UKLCZEYMCDMTGU-MRXNPFEDSA-N 0 0 459.589 4.982 20 0 JJADRN COCc1cccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1 ZINC001463330927 1068358710 /nfs/dbraw/zinc/35/87/10/1068358710.db2.gz KZYAEJWQRKUATF-UHFFFAOYSA-N 0 0 450.482 4.638 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC001463331492 1068358764 /nfs/dbraw/zinc/35/87/64/1068358764.db2.gz RRMOWPZKNMLLLI-BONVTDFDSA-N 0 0 459.433 4.936 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463331910 1068359167 /nfs/dbraw/zinc/35/91/67/1068359167.db2.gz DLFCFQCWBSVSEM-LBPRGKRZSA-N 0 0 455.287 4.933 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2[nH]1)C1(c2cccc(Cl)c2)CCOCC1 ZINC001463333865 1068359799 /nfs/dbraw/zinc/35/97/99/1068359799.db2.gz FXYRGFFGEFOQJN-UHFFFAOYSA-N 0 0 452.711 4.805 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001463334356 1068359958 /nfs/dbraw/zinc/35/99/58/1068359958.db2.gz USEKPLCVVDLRMH-UHFFFAOYSA-N 0 0 454.445 4.639 20 0 JJADRN CC1(C)CCC[C@@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)C1 ZINC001463335060 1068359972 /nfs/dbraw/zinc/35/99/72/1068359972.db2.gz MIWWYRHOIKDLAG-HSZRJFAPSA-N 0 0 454.636 4.853 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001463339314 1068361592 /nfs/dbraw/zinc/36/15/92/1068361592.db2.gz ZAQDUWVFJNCDHT-ZRBLBEILSA-N 0 0 450.579 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)CC2)CC1 ZINC001463340697 1068362450 /nfs/dbraw/zinc/36/24/50/1068362450.db2.gz ZRYFEEMFZJCYLW-RBUKOAKNSA-N 0 0 450.526 4.687 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001463340262 1068362518 /nfs/dbraw/zinc/36/25/18/1068362518.db2.gz VLLBRVZOYPDZDI-UHFFFAOYSA-N 0 0 455.368 4.806 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccccc12 ZINC001463344600 1068364615 /nfs/dbraw/zinc/36/46/15/1068364615.db2.gz VCIVQPGKEDGHSP-LJQANCHMSA-N 0 0 454.445 4.909 20 0 JJADRN COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463346138 1068365635 /nfs/dbraw/zinc/36/56/35/1068365635.db2.gz UZLODHAHCYZFMN-OUBQQWGRSA-N 0 0 453.482 4.506 20 0 JJADRN CCOc1ccc(Cl)cc1CCNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC001463347781 1068366161 /nfs/dbraw/zinc/36/61/61/1068366161.db2.gz MIYQJYLPEKPFNJ-UHFFFAOYSA-N 0 0 457.926 4.789 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)[C@H](C[C@@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346624 1068366408 /nfs/dbraw/zinc/36/64/08/1068366408.db2.gz JZTTVMNUSUUBNI-UWVGGRQHSA-N 0 0 453.280 4.754 20 0 JJADRN COc1ccc(Oc2ccc(CCNS(=O)(=O)c3ccc4nc(C)sc4c3)cc2)cc1 ZINC001463346399 1068366445 /nfs/dbraw/zinc/36/64/45/1068366445.db2.gz ARXCNBWONLWSLM-UHFFFAOYSA-N 0 0 454.573 4.927 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)Oc1cc(Br)ccc1Cl ZINC001463350143 1068366900 /nfs/dbraw/zinc/36/69/00/1068366900.db2.gz UASPDQNIQAZZGF-UHFFFAOYSA-N 0 0 456.539 4.641 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001463349294 1068366939 /nfs/dbraw/zinc/36/69/39/1068366939.db2.gz ROIBKARXBNLIIT-IFXJQAMLSA-N 0 0 458.805 4.690 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC(C)(C)c3ccccc32)ccc1Br ZINC001463351467 1068367479 /nfs/dbraw/zinc/36/74/79/1068367479.db2.gz YXBGVPYLUVDTEM-OAHLLOKOSA-N 0 0 450.398 4.785 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)nc21 ZINC001463350723 1068367570 /nfs/dbraw/zinc/36/75/70/1068367570.db2.gz WNDYNASEPZWTJL-UHFFFAOYSA-N 0 0 458.378 4.651 20 0 JJADRN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001463353989 1068368246 /nfs/dbraw/zinc/36/82/46/1068368246.db2.gz FUYOUGCYNDZBGQ-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCC(C)(C)c2ccccc2Br)cc1OCC ZINC001463355336 1068368535 /nfs/dbraw/zinc/36/85/35/1068368535.db2.gz DPQOZHOLUVCAIO-UHFFFAOYSA-N 0 0 456.402 4.503 20 0 JJADRN C[C@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC001463355204 1068368675 /nfs/dbraw/zinc/36/86/75/1068368675.db2.gz IGTOCWUNOZLWGG-HNNXBMFYSA-N 0 0 450.398 4.906 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463355579 1068368876 /nfs/dbraw/zinc/36/88/76/1068368876.db2.gz ACOYCDPKPAADFT-ZWKOTPCHSA-N 0 0 455.462 4.607 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463355569 1068369046 /nfs/dbraw/zinc/36/90/46/1068369046.db2.gz ACOYCDPKPAADFT-MSOLQXFVSA-N 0 0 455.462 4.607 20 0 JJADRN Cc1cccc(Oc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)cc2)c1 ZINC001463355390 1068369164 /nfs/dbraw/zinc/36/91/64/1068369164.db2.gz JIFLCDQDASGDBX-HXUWFJFHSA-N 0 0 459.593 4.576 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC001463358040 1068370123 /nfs/dbraw/zinc/37/01/23/1068370123.db2.gz MJMOURGJEOUSQB-GOSISDBHSA-N 0 0 451.405 4.947 20 0 JJADRN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001463358442 1068370199 /nfs/dbraw/zinc/37/01/99/1068370199.db2.gz YCVIEINIZCAGCG-CVEARBPZSA-N 0 0 451.555 4.680 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)N(Cc3ccccc3F)C3CCCCC3)cc2N1 ZINC001463359354 1068370701 /nfs/dbraw/zinc/37/07/01/1068370701.db2.gz LDVPTGLUKJGAFC-UHFFFAOYSA-N 0 0 450.963 4.887 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2cccc(OC(F)F)c2)cc1OC ZINC001463360762 1068371211 /nfs/dbraw/zinc/37/12/11/1068371211.db2.gz YDYXILPHDZZCKW-UHFFFAOYSA-N 0 0 455.523 4.829 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)Oc1cc(Br)ccc1Cl ZINC001463360176 1068371447 /nfs/dbraw/zinc/37/14/47/1068371447.db2.gz OLIFNUZKSPYRHD-UHFFFAOYSA-N 0 0 455.713 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC001546138414 1068372332 /nfs/dbraw/zinc/37/23/32/1068372332.db2.gz ZXHSMIRCODLYRH-UHFFFAOYSA-N 0 0 452.595 4.944 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(Br)cc3)nc1)CC2 ZINC001463368128 1068374150 /nfs/dbraw/zinc/37/41/50/1068374150.db2.gz TWZAPJAAFYEPBK-UHFFFAOYSA-N 0 0 453.292 4.626 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1nccc(COC)n1 ZINC001463368131 1068374202 /nfs/dbraw/zinc/37/42/02/1068374202.db2.gz TXDRXXGNXYTTMS-UHFFFAOYSA-N 0 0 453.490 4.522 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N(C)Cc1ccn(C)n1 ZINC001463368838 1068374484 /nfs/dbraw/zinc/37/44/84/1068374484.db2.gz WGQDZZMKMJUWRQ-KAGYGMCKSA-N 0 0 457.640 4.788 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2)n1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001463370087 1068374500 /nfs/dbraw/zinc/37/45/00/1068374500.db2.gz YVVMZIBRJGVAQY-KRWDZBQOSA-N 0 0 455.436 4.880 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001463370304 1068374517 /nfs/dbraw/zinc/37/45/17/1068374517.db2.gz GPFBUEYQPIQJNA-FQEVSTJZSA-N 0 0 458.396 4.570 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(Br)cc2Br)c1 ZINC001463368964 1068374627 /nfs/dbraw/zinc/37/46/27/1068374627.db2.gz UZLCEDFSGQAMQH-UHFFFAOYSA-N 0 0 455.146 4.594 20 0 JJADRN Cn1c2ccc(S(=O)(=O)NCC3(c4ccc(C(C)(C)C)cc4)CCCC3)cc2sc1=O ZINC001463373826 1068376209 /nfs/dbraw/zinc/37/62/09/1068376209.db2.gz FCFPVIYLRYWIPN-UHFFFAOYSA-N 0 0 458.649 4.688 20 0 JJADRN Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1NC(=O)c1ccccc1 ZINC001463375975 1068376503 /nfs/dbraw/zinc/37/65/03/1068376503.db2.gz RCOINFVDVNYNPB-IDISGSTGSA-N 0 0 463.578 4.767 20 0 JJADRN CC(C)(C)Oc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)cc1 ZINC001463375681 1068376680 /nfs/dbraw/zinc/37/66/80/1068376680.db2.gz MFWAZSVVJVNSGI-UHFFFAOYSA-N 0 0 451.894 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 ZINC001463375891 1068376775 /nfs/dbraw/zinc/37/67/75/1068376775.db2.gz QWZARDUYIXEIOD-FPTDNZKUSA-N 0 0 465.381 4.699 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)c2cccc(Cl)c2)cc1 ZINC001463379668 1068377727 /nfs/dbraw/zinc/37/77/27/1068377727.db2.gz ALULCLXDZLOOST-ZLNRFVROSA-N 0 0 450.000 4.705 20 0 JJADRN O=S(=O)(NCc1cccc(COCC(F)(F)F)c1)c1ccc2nc(Cl)sc2c1 ZINC001463380780 1068378191 /nfs/dbraw/zinc/37/81/91/1068378191.db2.gz HMJBNIIMXLPIKW-UHFFFAOYSA-N 0 0 450.891 4.507 20 0 JJADRN CC1(C)C[C@@H](NS(=O)(=O)c2oc3ccccc3c2Br)c2ccc(F)cc2O1 ZINC001463380003 1068378279 /nfs/dbraw/zinc/37/82/79/1068378279.db2.gz SZGZVXMUZARALU-CQSZACIVSA-N 0 0 454.317 4.915 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCn2c3ccccc3c3ccccc32)c1 ZINC001463383512 1068379155 /nfs/dbraw/zinc/37/91/55/1068379155.db2.gz XSYLVYKVQDTOIP-UHFFFAOYSA-N 0 0 456.951 4.603 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1Br ZINC001463385618 1068379643 /nfs/dbraw/zinc/37/96/43/1068379643.db2.gz LREOXCSWILNVJW-YWPYICTPSA-N 0 0 451.224 4.719 20 0 JJADRN CCOc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)c2cccc(Cl)c2)cc1 ZINC001463384271 1068379749 /nfs/dbraw/zinc/37/97/49/1068379749.db2.gz UZLHWTMQUDDPOA-XMMPIXPASA-N 0 0 455.963 4.936 20 0 JJADRN C[S@@](=O)(=NS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1)c1ccccc1 ZINC001463385755 1068380021 /nfs/dbraw/zinc/38/00/21/1068380021.db2.gz CHZNMQIDWPVOES-NDEPHWFRSA-N 0 0 452.960 4.887 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC001463385840 1068380036 /nfs/dbraw/zinc/38/00/36/1068380036.db2.gz AITQRMVDQFWSDO-OXJNMPFZSA-N 0 0 453.988 4.536 20 0 JJADRN COC(=O)[C@@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC001463385771 1068380178 /nfs/dbraw/zinc/38/01/78/1068380178.db2.gz CTWYCPDEXGOICY-SFHVURJKSA-N 0 0 455.479 4.644 20 0 JJADRN COCC1(CS(=O)(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CCC1 ZINC001463387838 1068381393 /nfs/dbraw/zinc/38/13/93/1068381393.db2.gz AZPUWEUHUADMQV-FQEVSTJZSA-N 0 0 457.514 4.540 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001463393918 1068382615 /nfs/dbraw/zinc/38/26/15/1068382615.db2.gz LFKNQJWRTUCLND-AVRWGWEMSA-N 0 0 459.587 4.687 20 0 JJADRN O=S(=O)(Oc1ccccc1-c1nccs1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC001463395447 1068382775 /nfs/dbraw/zinc/38/27/75/1068382775.db2.gz WOXBBYCCUAVYAA-MRXNPFEDSA-N 0 0 450.379 4.839 20 0 JJADRN CCCCn1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)c(C)n1 ZINC001463403941 1068386051 /nfs/dbraw/zinc/38/60/51/1068386051.db2.gz ZIXNOXNSPDDVFD-UKILVPOCSA-N 0 0 453.608 4.920 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1ccoc1Br)C(F)(F)F ZINC001463406662 1068386491 /nfs/dbraw/zinc/38/64/91/1068386491.db2.gz ZFTBDFHACMMWBA-HNNXBMFYSA-N 0 0 456.262 4.921 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1Br ZINC001463407786 1068386636 /nfs/dbraw/zinc/38/66/36/1068386636.db2.gz ZCCUJCZWZRIUHB-CYBMUJFWSA-N 0 0 450.807 4.973 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC001463408330 1068387055 /nfs/dbraw/zinc/38/70/55/1068387055.db2.gz CLNVPDSQRUYODZ-MRXNPFEDSA-N 0 0 457.445 4.546 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC001463408327 1068387189 /nfs/dbraw/zinc/38/71/89/1068387189.db2.gz CLNVPDSQRUYODZ-INIZCTEOSA-N 0 0 457.445 4.546 20 0 JJADRN Cc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c(C)cc1Br ZINC001463409317 1068387804 /nfs/dbraw/zinc/38/78/04/1068387804.db2.gz NWNSCFYNRQTWTO-LJQANCHMSA-N 0 0 458.393 4.585 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463410528 1068388035 /nfs/dbraw/zinc/38/80/35/1068388035.db2.gz KEEHZXZFKXPFRN-QRWLVFNGSA-N 0 0 453.963 4.807 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463410527 1068388172 /nfs/dbraw/zinc/38/81/72/1068388172.db2.gz KEEHZXZFKXPFRN-MGPUTAFESA-N 0 0 453.963 4.807 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)C[C@H](OC)C2CCCC2)cc1OC ZINC001463410251 1068388217 /nfs/dbraw/zinc/38/82/17/1068388217.db2.gz JEWOIKKFTNPHEP-VNZMSGEBSA-N 0 0 453.645 4.620 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@]34CCCN(C(=O)OC(C)(C)C)C4)ccn2)C1 ZINC001463410136 1068388289 /nfs/dbraw/zinc/38/82/89/1068388289.db2.gz FCYYSMUEHMYOPM-RXFWQSSRSA-N 0 0 456.631 4.714 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1csnc1-c1ccccc1 ZINC001463410905 1068388612 /nfs/dbraw/zinc/38/86/12/1068388612.db2.gz KANFNNDTBKVVLQ-CQSZACIVSA-N 0 0 454.404 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)CCCOCCc2ccccc2)n1 ZINC001463415616 1068390734 /nfs/dbraw/zinc/39/07/34/1068390734.db2.gz MZHNBQWWKWPEQU-FQEVSTJZSA-N 0 0 454.571 4.527 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001463415524 1068390864 /nfs/dbraw/zinc/39/08/64/1068390864.db2.gz ZFFUCDLQNRARHF-KUDFPVQQSA-N 0 0 452.414 4.565 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001463418578 1068391522 /nfs/dbraw/zinc/39/15/22/1068391522.db2.gz YBYSXHKUGQDPST-AWEZNQCLSA-N 0 0 455.540 4.826 20 0 JJADRN CC1CCC2(CC1)OC[C@@H](CNS(=O)(=O)c1ccc(Oc3ccc(Cl)cc3)cc1)O2 ZINC001463421034 1068392178 /nfs/dbraw/zinc/39/21/78/1068392178.db2.gz AVUOKJDVSUXXPW-PWOUQQLPSA-N 0 0 451.972 4.732 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)Oc3cnn4c3CN(C(=O)OC(C)(C)C)CC4)s2)c(C)c1 ZINC001463427209 1068393046 /nfs/dbraw/zinc/39/30/46/1068393046.db2.gz PQTIIRTYPIMAFN-UHFFFAOYSA-N 0 0 454.552 4.593 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)N[C@H](CC2CCC2)c2ccccc2)cc1Br ZINC001463425345 1068393089 /nfs/dbraw/zinc/39/30/89/1068393089.db2.gz NSAMSWFRAGMIPV-QGZVFWFLSA-N 0 0 454.386 4.676 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)Oc2c(C=O)cc(Cl)c3ccccc32)c1 ZINC001463433800 1068395979 /nfs/dbraw/zinc/39/59/79/1068395979.db2.gz JOVGQSZWMUOKLI-UHFFFAOYSA-N 0 0 455.713 4.845 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431749 1068395703 /nfs/dbraw/zinc/39/57/03/1068395703.db2.gz FMKIHJGIQUOSAE-VBKZILBWSA-N 0 0 454.926 4.644 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC001463433731 1068395784 /nfs/dbraw/zinc/39/57/84/1068395784.db2.gz KRUUCYPHVCOCQG-PMACEKPBSA-N 0 0 455.498 4.757 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1OCc1ccccc1 ZINC001463438202 1068397556 /nfs/dbraw/zinc/39/75/56/1068397556.db2.gz PIINYIVCUXCAOX-GOSISDBHSA-N 0 0 450.560 4.580 20 0 JJADRN C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463438003 1068397664 /nfs/dbraw/zinc/39/76/64/1068397664.db2.gz OVGFRVAZWGEPOJ-HNNXBMFYSA-N 0 0 454.976 4.714 20 0 JJADRN O=C(C[C@H]1CCCN1S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001463438889 1068397862 /nfs/dbraw/zinc/39/78/62/1068397862.db2.gz VYUAHYNZRYTUGJ-HXUWFJFHSA-N 0 0 457.489 4.844 20 0 JJADRN O=C1OCc2ccc(S(=O)(=O)N[C@H]3CCCCC[C@H]3c3ccccc3C(F)(F)F)cc21 ZINC001463437854 1068397893 /nfs/dbraw/zinc/39/78/93/1068397893.db2.gz ZTOQKUTVCAWRBV-PXNSSMCTSA-N 0 0 453.482 4.771 20 0 JJADRN O=C1CCCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001463442554 1068398845 /nfs/dbraw/zinc/39/88/45/1068398845.db2.gz YCRSONZQPHSSRA-HZPDHXFCSA-N 0 0 458.527 4.741 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001463444721 1068399166 /nfs/dbraw/zinc/39/91/66/1068399166.db2.gz VYZHHAQROAFQSL-CQSZACIVSA-N 0 0 454.951 4.814 20 0 JJADRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC001463445121 1068399393 /nfs/dbraw/zinc/39/93/93/1068399393.db2.gz BKVMJAFRDMBHDD-HOTGVXAUSA-N 0 0 456.605 4.511 20 0 JJADRN COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001463448207 1068400423 /nfs/dbraw/zinc/40/04/23/1068400423.db2.gz QPTFQKBEIWHIBO-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN Cc1csc(C(=O)Nc2ccccc2-c2noc(C3CC3)n2)c1I ZINC001463452141 1068402183 /nfs/dbraw/zinc/40/21/83/1068402183.db2.gz OQQCOEQJOKTPHA-UHFFFAOYSA-N 0 0 451.289 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)CC3CCC(C(F)(F)F)CC3)n2)C1 ZINC001463453504 1068402997 /nfs/dbraw/zinc/40/29/97/1068402997.db2.gz LRTIJBXPZGUCKF-PCKAHOCUSA-N 0 0 456.509 4.898 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2)c1cc(Cl)ccc1OC(F)F ZINC001463455232 1068404354 /nfs/dbraw/zinc/40/43/54/1068404354.db2.gz XQIUZZMHWZHRFR-NSHDSACASA-N 0 0 458.914 4.601 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(I)ccc1F ZINC001463454777 1068404468 /nfs/dbraw/zinc/40/44/68/1068404468.db2.gz RWRYKWCGBLTOND-LLVKDONJSA-N 0 0 458.340 4.674 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC[C@H](C)c2ccccc21 ZINC001463457459 1068404936 /nfs/dbraw/zinc/40/49/36/1068404936.db2.gz XOAFYAWVNQVONW-IZHWHUGBSA-N 0 0 454.523 4.557 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)C1 ZINC001463455496 1068404947 /nfs/dbraw/zinc/40/49/47/1068404947.db2.gz SQURULCNTRPDIN-ROUUACIJSA-N 0 0 451.430 4.674 20 0 JJADRN COc1cc(CCNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc(OC)c1 ZINC001463456147 1068404988 /nfs/dbraw/zinc/40/49/88/1068404988.db2.gz HPVBLIBWTPYMBP-UHFFFAOYSA-N 0 0 457.324 4.626 20 0 JJADRN Cc1ncc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1Br ZINC001463458916 1068406801 /nfs/dbraw/zinc/40/68/01/1068406801.db2.gz BPFMODMODFDGOG-UHFFFAOYSA-N 0 0 452.352 4.797 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC001463460371 1068406957 /nfs/dbraw/zinc/40/69/57/1068406957.db2.gz HICWYDZGPQKTQU-UHFFFAOYSA-N 0 0 457.636 4.904 20 0 JJADRN Cc1cccc(CS(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001463462491 1068407597 /nfs/dbraw/zinc/40/75/97/1068407597.db2.gz PYNVSOYHYGBHMD-HSZRJFAPSA-N 0 0 454.592 4.834 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC001463464235 1068409099 /nfs/dbraw/zinc/40/90/99/1068409099.db2.gz YJJFMYGLLSWCOE-MRXNPFEDSA-N 0 0 453.004 4.531 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cccc(Br)c1)c1ccc(OC)c(OC)c1 ZINC001463464391 1068409264 /nfs/dbraw/zinc/40/92/64/1068409264.db2.gz AXNQRUAYYOSCGY-UHFFFAOYSA-N 0 0 456.402 4.503 20 0 JJADRN O=S(=O)(C1=Cc2ccccc2OCC1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001463464683 1068410001 /nfs/dbraw/zinc/41/00/01/1068410001.db2.gz BDBYWXMNUJKRKO-IBGZPJMESA-N 0 0 452.345 4.879 20 0 JJADRN O=S(=O)(C1=Cc2ccccc2OCC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001463464685 1068410035 /nfs/dbraw/zinc/41/00/35/1068410035.db2.gz BDBYWXMNUJKRKO-LJQANCHMSA-N 0 0 452.345 4.879 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c3ccc(C)cc3)cc21 ZINC001463469434 1068411556 /nfs/dbraw/zinc/41/15/56/1068411556.db2.gz HXVOMQOCGCSHNU-YWZLYKJASA-N 0 0 454.514 4.827 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H]3c4ccccc4CCC[C@@H]3C)cc2c1C ZINC001463470725 1068412294 /nfs/dbraw/zinc/41/22/94/1068412294.db2.gz JULPTUBMZXSPLM-XOBRGWDASA-N 0 0 458.605 4.773 20 0 JJADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC001463471401 1068413035 /nfs/dbraw/zinc/41/30/35/1068413035.db2.gz JZSPHGPGDOUOQT-MAUKXSAKSA-N 0 0 463.397 4.598 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC001463474044 1068413773 /nfs/dbraw/zinc/41/37/73/1068413773.db2.gz VCXDUYFJBNADLR-OAHLLOKOSA-N 0 0 458.805 4.891 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Br)N1Cc2ccc(Br)cc2C1 ZINC001463473491 1068413834 /nfs/dbraw/zinc/41/38/34/1068413834.db2.gz OOYICNBCYWDPHR-UHFFFAOYSA-N 0 0 451.567 4.570 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC001463476999 1068414239 /nfs/dbraw/zinc/41/42/39/1068414239.db2.gz XCVMUXYEBXHUJW-UHFFFAOYSA-N 0 0 457.514 4.653 20 0 JJADRN O=S(=O)(c1cc(Cl)sc1Cl)N(CCCOc1ccccc1)C1CCOCC1 ZINC001463475655 1068414385 /nfs/dbraw/zinc/41/43/85/1068414385.db2.gz UKUOZDSNSAULAP-UHFFFAOYSA-N 0 0 450.409 4.694 20 0 JJADRN CC1(C)C[C@H](NS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCO1 ZINC001463479296 1068414926 /nfs/dbraw/zinc/41/49/26/1068414926.db2.gz DYIWMNPSSSZHHR-CQSZACIVSA-N 0 0 458.349 4.616 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCc2cc(F)cc(F)c2C1 ZINC001463482877 1068415718 /nfs/dbraw/zinc/41/57/18/1068415718.db2.gz SIHDVKVXOXWHCX-UHFFFAOYSA-N 0 0 459.846 4.833 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463481151 1068415802 /nfs/dbraw/zinc/41/58/02/1068415802.db2.gz AZALVDGCQCWWEN-PXNSSMCTSA-N 0 0 452.403 4.837 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)cnc1Cl ZINC001463485891 1068416274 /nfs/dbraw/zinc/41/62/74/1068416274.db2.gz KRJZHTVJKVDXKV-KRWDZBQOSA-N 0 0 450.923 4.539 20 0 JJADRN C[C@H](NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl)C1CCCCCC1 ZINC001463487994 1068417047 /nfs/dbraw/zinc/41/70/47/1068417047.db2.gz JQOHJSCXKMDPRP-VIFPVBQESA-N 0 0 451.770 4.587 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001463489050 1068417104 /nfs/dbraw/zinc/41/71/04/1068417104.db2.gz DVRXJDQPVMXROA-SFHVURJKSA-N 0 0 451.995 4.776 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c2cccc(Cl)c2O1 ZINC001463498953 1068419715 /nfs/dbraw/zinc/41/97/15/1068419715.db2.gz OWROPBZFDNPGOD-MRXNPFEDSA-N 0 0 452.363 4.854 20 0 JJADRN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1F ZINC001463496448 1068419755 /nfs/dbraw/zinc/41/97/55/1068419755.db2.gz NFPSSBOPLIOYKD-MRXNPFEDSA-N 0 0 454.495 4.592 20 0 JJADRN CCCOc1ccc(CNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)c(C)c1 ZINC001463499407 1068419760 /nfs/dbraw/zinc/41/97/60/1068419760.db2.gz KFGOTPQARNRLEI-OAQYLSRUSA-N 0 0 452.414 4.523 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cc(Br)cc(F)c43)s2)cs1 ZINC001463498335 1068419786 /nfs/dbraw/zinc/41/97/86/1068419786.db2.gz FWMCETMUDDLHFP-UHFFFAOYSA-N 0 0 459.387 4.833 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1sc2cccc(F)c2c1C ZINC001463500017 1068420616 /nfs/dbraw/zinc/42/06/16/1068420616.db2.gz SDUIQTOMGRJMDL-HNNXBMFYSA-N 0 0 456.605 4.759 20 0 JJADRN CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)c2cccc(Cl)c2O1 ZINC001463502837 1068421272 /nfs/dbraw/zinc/42/12/72/1068421272.db2.gz XOMUEDMJOBMBIC-SECBINFHSA-N 0 0 452.704 4.747 20 0 JJADRN CCN(C(=O)CCc1cc(Br)ccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463504906 1068421846 /nfs/dbraw/zinc/42/18/46/1068421846.db2.gz FPAYFYMKQBAUCB-KRWDZBQOSA-N 0 0 457.384 4.769 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(C)C ZINC001463504975 1068421925 /nfs/dbraw/zinc/42/19/25/1068421925.db2.gz NDRWIVUHPXUILL-FQEVSTJZSA-N 0 0 457.514 4.908 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001463506470 1068422652 /nfs/dbraw/zinc/42/26/52/1068422652.db2.gz PTXIFJIWUYPHEH-UHFFFAOYSA-N 0 0 454.523 4.810 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1cc(F)ccc1N(C)C ZINC001463505561 1068422663 /nfs/dbraw/zinc/42/26/63/1068422663.db2.gz YVKYEYPGIDSEAK-NSHDSACASA-N 0 0 458.169 4.837 20 0 JJADRN CCN(C(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463506930 1068422680 /nfs/dbraw/zinc/42/26/80/1068422680.db2.gz JJRVXTMFKZVKSZ-MRXNPFEDSA-N 0 0 459.812 4.893 20 0 JJADRN CC(C)CCOc1ccccc1CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC001463508367 1068423207 /nfs/dbraw/zinc/42/32/07/1068423207.db2.gz DVHHGCUGUQDIQO-UHFFFAOYSA-N 0 0 450.988 4.518 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)c3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001463509679 1068423992 /nfs/dbraw/zinc/42/39/92/1068423992.db2.gz BHPNWZKXVWVGNI-KZULUSFZSA-N 0 0 455.725 4.576 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)cc1OC ZINC001463510874 1068424534 /nfs/dbraw/zinc/42/45/34/1068424534.db2.gz GFMBIDLHMDNXRU-HXUWFJFHSA-N 0 0 456.402 4.624 20 0 JJADRN CCN(C(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463511984 1068424541 /nfs/dbraw/zinc/42/45/41/1068424541.db2.gz LMNXGIKMKMEGPU-SFHVURJKSA-N 0 0 455.555 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(Br)cc(N4CCCC4)c3)CCC[C@@H]12 ZINC001463515402 1068425348 /nfs/dbraw/zinc/42/53/48/1068425348.db2.gz SSHLHSGZUQBWPV-XXBNENTESA-N 0 0 478.431 4.711 20 0 JJADRN CCc1ccc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)CCO2)cc1 ZINC001463515465 1068425851 /nfs/dbraw/zinc/42/58/51/1068425851.db2.gz VLTRKNMUXGWXHG-QFIPXVFZSA-N 0 0 450.000 4.844 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1Br ZINC001463517041 1068425967 /nfs/dbraw/zinc/42/59/67/1068425967.db2.gz CCYMMBJWXPFTKA-UHFFFAOYSA-N 0 0 452.326 4.887 20 0 JJADRN CC(C)(F)c1cc(NC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)no1 ZINC001463518809 1068426539 /nfs/dbraw/zinc/42/65/39/1068426539.db2.gz DDHSYJGBKXJCBJ-UHFFFAOYSA-N 0 0 457.937 4.502 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc2ccccc2s1 ZINC001463522577 1068427348 /nfs/dbraw/zinc/42/73/48/1068427348.db2.gz ARIGJCJYKICZRT-IEBWSBKVSA-N 0 0 458.605 4.540 20 0 JJADRN CCc1cc(NC(=O)Cn2nc(C)c3c2nc(-c2ccccc2OC)cc3C(F)(F)F)no1 ZINC001463525406 1068428007 /nfs/dbraw/zinc/42/80/07/1068428007.db2.gz HRFXMRLQNIQZSE-UHFFFAOYSA-N 0 0 459.428 4.623 20 0 JJADRN CCC(C)(C)CCS(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001463528635 1068428725 /nfs/dbraw/zinc/42/87/25/1068428725.db2.gz RULUNHACXMNILI-INIZCTEOSA-N 0 0 456.406 4.792 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001463527495 1068428803 /nfs/dbraw/zinc/42/88/03/1068428803.db2.gz LSWHOYZSAPZQPA-FQEVSTJZSA-N 0 0 455.318 4.623 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001463529741 1068429305 /nfs/dbraw/zinc/42/93/05/1068429305.db2.gz UUPJDVSGLVPIAS-ZWNOBZJWSA-N 0 0 455.285 4.558 20 0 JJADRN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001463533230 1068431025 /nfs/dbraw/zinc/43/10/25/1068431025.db2.gz MTERPDZHDGVJMN-UHFFFAOYSA-N 0 0 453.404 4.755 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1Cl ZINC001463537552 1068433133 /nfs/dbraw/zinc/43/31/33/1068433133.db2.gz FAHGEEHLUOFVDK-UHFFFAOYSA-N 0 0 450.807 4.741 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1ccc2ccccc2c1 ZINC001463539965 1068433774 /nfs/dbraw/zinc/43/37/74/1068433774.db2.gz DQXMYGQEGGOUAS-UHFFFAOYSA-N 0 0 458.583 4.899 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C2CC2)cc1 ZINC001463539042 1068433894 /nfs/dbraw/zinc/43/38/94/1068433894.db2.gz VSNUNWOMNCPAFM-PZJWPPBQSA-N 0 0 450.482 4.712 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1F ZINC001463540533 1068434623 /nfs/dbraw/zinc/43/46/23/1068434623.db2.gz ZDPYBZPJUJWORX-LJQANCHMSA-N 0 0 459.518 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)cn2)C1 ZINC001463540175 1068434633 /nfs/dbraw/zinc/43/46/33/1068434633.db2.gz MHTMEZHKCUVEHA-JOCHJYFZSA-N 0 0 453.587 4.698 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1 ZINC001463541572 1068435173 /nfs/dbraw/zinc/43/51/73/1068435173.db2.gz SBYJMQJIIFMLGE-UHFFFAOYSA-N 0 0 456.539 4.606 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1OC ZINC001463540869 1068435292 /nfs/dbraw/zinc/43/52/92/1068435292.db2.gz OUWLIWXVIPJJQN-UHFFFAOYSA-N 0 0 454.567 4.659 20 0 JJADRN O=S(=O)(Cc1cccc2cccnc21)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001463544330 1068436714 /nfs/dbraw/zinc/43/67/14/1068436714.db2.gz WWJWEPPXZKALNJ-OAQYLSRUSA-N 0 0 459.409 4.828 20 0 JJADRN Cc1cccc(CNS(=O)(=O)c2oc3ccccc3c2Br)c1Br ZINC001463544937 1068436728 /nfs/dbraw/zinc/43/67/28/1068436728.db2.gz ZIFFDAIPUNPYQQ-UHFFFAOYSA-N 0 0 459.159 4.745 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001546139859 1068436749 /nfs/dbraw/zinc/43/67/49/1068436749.db2.gz QZCKVKXABFLCGV-PLNGDYQASA-N 0 0 455.502 4.569 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCc1ccccc1OC(F)F ZINC001463545834 1068437426 /nfs/dbraw/zinc/43/74/26/1068437426.db2.gz VSXOWDLZIFRILZ-UHFFFAOYSA-N 0 0 454.720 4.533 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1sccc1Br)c1cc(F)cc(Br)c1 ZINC001463546654 1068437440 /nfs/dbraw/zinc/43/74/40/1068437440.db2.gz UDFWKDKAOTWDSN-GFCCVEGCSA-N 0 0 457.184 4.842 20 0 JJADRN COc1cccc(C(F)(F)C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463552854 1068438784 /nfs/dbraw/zinc/43/87/84/1068438784.db2.gz DCYKABOMMQCTPI-UHFFFAOYSA-N 0 0 451.513 4.962 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC001463555335 1068440112 /nfs/dbraw/zinc/44/01/12/1068440112.db2.gz ZMBMAWMKJARMGE-FQEVSTJZSA-N 0 0 454.430 4.691 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001463557831 1068440978 /nfs/dbraw/zinc/44/09/78/1068440978.db2.gz CJMMTCQBGXPIHW-MJGOQNOKSA-N 0 0 452.414 4.928 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001463558084 1068441615 /nfs/dbraw/zinc/44/16/15/1068441615.db2.gz FQWPIAAXHJFAMS-SJORKVTESA-N 0 0 458.407 4.708 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001463558082 1068441700 /nfs/dbraw/zinc/44/17/00/1068441700.db2.gz FQWPIAAXHJFAMS-IRXDYDNUSA-N 0 0 458.407 4.708 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001463558078 1068441915 /nfs/dbraw/zinc/44/19/15/1068441915.db2.gz FQWPIAAXHJFAMS-DLBZAZTESA-N 0 0 458.407 4.708 20 0 JJADRN CN(C)[C@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1Cl ZINC001463558726 1068442621 /nfs/dbraw/zinc/44/26/21/1068442621.db2.gz BYHYSKGJKKTALJ-IRLDBZIGSA-N 0 0 454.920 4.727 20 0 JJADRN COc1ccc2c(c1)nc(CNS(=O)(=O)c1ccc(Oc3ccccc3Cl)cc1)n2C ZINC001463565640 1068446519 /nfs/dbraw/zinc/44/65/19/1068446519.db2.gz RCYYWDZORDWUEU-UHFFFAOYSA-N 0 0 457.939 4.506 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CCCCC1 ZINC001463565446 1068446750 /nfs/dbraw/zinc/44/67/50/1068446750.db2.gz RXYGPIHLIUILJJ-NRFANRHFSA-N 0 0 450.988 4.983 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566167 1068447405 /nfs/dbraw/zinc/44/74/05/1068447405.db2.gz XNGWNXBUEFBGDJ-QRWLVFNGSA-N 0 0 450.988 4.983 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC001463567065 1068448113 /nfs/dbraw/zinc/44/81/13/1068448113.db2.gz GUTHPLDHRJMCLU-OAQYLSRUSA-N 0 0 458.580 4.715 20 0 JJADRN O=S(=O)(CCC1Cc2ccccc2C1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001463567376 1068448228 /nfs/dbraw/zinc/44/82/28/1068448228.db2.gz KZYIQGHIPIONRN-OAQYLSRUSA-N 0 0 452.389 4.764 20 0 JJADRN O=S(=O)(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cccc(OC(F)F)c1 ZINC001463569098 1068449708 /nfs/dbraw/zinc/44/97/08/1068449708.db2.gz PZYPJXYDUSQNMY-INIZCTEOSA-N 0 0 450.276 4.619 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001463569359 1068449731 /nfs/dbraw/zinc/44/97/31/1068449731.db2.gz QZPPWKNMLGFNLJ-YJYMSZOUSA-N 0 0 450.457 4.955 20 0 JJADRN O=C(N1CCN(Cc2ccc(Br)s2)CC1)C1(Cc2cccc(Cl)c2)CC1 ZINC001463570025 1068450285 /nfs/dbraw/zinc/45/02/85/1068450285.db2.gz MZDCODGZJIPCDJ-UHFFFAOYSA-N 0 0 453.833 4.831 20 0 JJADRN CC(C)(C)OCc1ccccc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463570019 1068450403 /nfs/dbraw/zinc/45/04/03/1068450403.db2.gz MVTDZZQXBLMTJC-UHFFFAOYSA-N 0 0 451.430 4.784 20 0 JJADRN CC(C)C[C@H]1OCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463572091 1068451136 /nfs/dbraw/zinc/45/11/36/1068451136.db2.gz AMVCXRKOKMRBDE-LEWJYISDSA-N 0 0 452.414 4.988 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c(-n2cccc2)s1 ZINC001463571950 1068451159 /nfs/dbraw/zinc/45/11/59/1068451159.db2.gz ZSMUEPXPVYOYRX-UHFFFAOYSA-N 0 0 450.427 4.629 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H]3CCc4ccc(C(C)C)cc43)cc2c1C ZINC001463574069 1068452423 /nfs/dbraw/zinc/45/24/23/1068452423.db2.gz PNKMWYOTXQNPJL-FQEVSTJZSA-N 0 0 458.605 4.871 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c(C)cc1Br ZINC001463577646 1068453181 /nfs/dbraw/zinc/45/31/81/1068453181.db2.gz JDWLVJRYENRLGM-UHFFFAOYSA-N 0 0 458.368 4.988 20 0 JJADRN CC(C)(CNS(=O)(=O)c1c[nH]c2cc(Br)ccc21)c1cccc(Cl)c1F ZINC001463579181 1068453633 /nfs/dbraw/zinc/45/36/33/1068453633.db2.gz QRNMHMAVFKZMBA-UHFFFAOYSA-N 0 0 459.768 4.979 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)c2)cc1 ZINC001463579269 1068453791 /nfs/dbraw/zinc/45/37/91/1068453791.db2.gz ATJDBLQMCIVWMU-MXTNKPTQSA-N 0 0 458.580 4.515 20 0 JJADRN COCCC1(CNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CCCCC1 ZINC001463581177 1068454471 /nfs/dbraw/zinc/45/44/71/1068454471.db2.gz OFMSKHOCHDIVMR-UHFFFAOYSA-N 0 0 458.340 4.733 20 0 JJADRN CSC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463582613 1068456254 /nfs/dbraw/zinc/45/62/54/1068456254.db2.gz OABPFVJFGIJCNK-UHFFFAOYSA-N 0 0 457.415 4.638 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Br)s1 ZINC001463586397 1068457614 /nfs/dbraw/zinc/45/76/14/1068457614.db2.gz MQNMZLMXWJJILP-MRXNPFEDSA-N 0 0 457.821 4.967 20 0 JJADRN CC(=O)Nc1ncc(S(=O)(=O)NCc2ccc(Oc3cccc4ccccc43)cc2)s1 ZINC001463588383 1068458134 /nfs/dbraw/zinc/45/81/34/1068458134.db2.gz DCHRGJJMZGXOPN-UHFFFAOYSA-N 0 0 453.545 4.526 20 0 JJADRN O=S(=O)(NC1CC(c2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001463594111 1068459485 /nfs/dbraw/zinc/45/94/85/1068459485.db2.gz ALLQTMQBGOGLJF-UHFFFAOYSA-N 0 0 450.276 4.572 20 0 JJADRN COc1cc(C)c(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1OC ZINC001463596205 1068460277 /nfs/dbraw/zinc/46/02/77/1068460277.db2.gz MSNZSSFWIVBTRT-UHFFFAOYSA-N 0 0 451.470 4.948 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N(CC)c3ccc(Cl)c(F)c3)cc2c1C ZINC001463596661 1068460302 /nfs/dbraw/zinc/46/03/02/1068460302.db2.gz LAPREKNOQBTBCN-UHFFFAOYSA-N 0 0 456.948 4.789 20 0 JJADRN CN(C)C[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 ZINC001463600308 1068461033 /nfs/dbraw/zinc/46/10/33/1068461033.db2.gz ULTVALAUSLPOSC-SFHVURJKSA-N 0 0 452.045 4.828 20 0 JJADRN O=S(=O)(c1ccc(Br)c(F)c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC001463601056 1068461871 /nfs/dbraw/zinc/46/18/71/1068461871.db2.gz BMGXDMREMBONQW-UHFFFAOYSA-N 0 0 450.732 4.891 20 0 JJADRN O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001463603604 1068462432 /nfs/dbraw/zinc/46/24/32/1068462432.db2.gz CDBIVGFOTMUXGP-OAHLLOKOSA-N 0 0 452.399 4.817 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC001463604083 1068462587 /nfs/dbraw/zinc/46/25/87/1068462587.db2.gz MRXSARBQOQGLTO-XMMPIXPASA-N 0 0 459.030 4.674 20 0 JJADRN COc1cc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)c(OC)cc1NC(=O)c1ccccc1 ZINC001463610861 1068466189 /nfs/dbraw/zinc/46/61/89/1068466189.db2.gz JRDLGJSNSYFXND-UHFFFAOYSA-N 0 0 454.567 4.862 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc(-c4nncs4)cc3)cc2)cc1 ZINC001463617313 1068467699 /nfs/dbraw/zinc/46/76/99/1068467699.db2.gz JSLSGVNIGZWOTK-UHFFFAOYSA-N 0 0 451.529 4.598 20 0 JJADRN Cc1cc(I)ccc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001463617965 1068468539 /nfs/dbraw/zinc/46/85/39/1068468539.db2.gz ZRMDRGGYNNAYJN-OXJNMPFZSA-N 0 0 470.351 4.718 20 0 JJADRN COc1cc(CN(C)C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1OC(F)F ZINC001463622196 1068469988 /nfs/dbraw/zinc/46/99/88/1068469988.db2.gz PCAHXFOPCFULEI-YADARESESA-N 0 0 468.541 4.825 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC001463621870 1068470045 /nfs/dbraw/zinc/47/00/45/1068470045.db2.gz LGUMZYOSEYUXMC-UHFFFAOYSA-N 0 0 456.502 4.817 20 0 JJADRN O=C(CCc1cncs1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001463622920 1068470668 /nfs/dbraw/zinc/47/06/68/1068470668.db2.gz ARQDNYMCMKNMEM-UHFFFAOYSA-N 0 0 455.483 4.534 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1c(Cl)cccc1C(F)(F)F ZINC001463623468 1068470805 /nfs/dbraw/zinc/47/08/05/1068470805.db2.gz KAOZFAJJXCLIMZ-SMDDNHRTSA-N 0 0 454.695 4.956 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2C(C)=O)cc1Cl ZINC001463624754 1068471390 /nfs/dbraw/zinc/47/13/90/1068471390.db2.gz MMMUYDDSYFYPEY-UHFFFAOYSA-N 0 0 454.690 4.715 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1 ZINC001463626656 1068472963 /nfs/dbraw/zinc/47/29/63/1068472963.db2.gz NGJXOMWIZKFNFR-UHFFFAOYSA-N 0 0 456.655 4.818 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001463627677 1068473487 /nfs/dbraw/zinc/47/34/87/1068473487.db2.gz TYONVEPLVOIERL-FQEVSTJZSA-N 0 0 452.039 4.656 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2C(C)=O)c2ccccc12 ZINC001463627269 1068473591 /nfs/dbraw/zinc/47/35/91/1068473591.db2.gz YFGHQUUZUYMXFH-UHFFFAOYSA-N 0 0 453.299 4.904 20 0 JJADRN C[C@@H](COCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 ZINC001463627243 1068473624 /nfs/dbraw/zinc/47/36/24/1068473624.db2.gz WLHFQAVDBJNKHT-KRWDZBQOSA-N 0 0 458.967 4.900 20 0 JJADRN CC(C)(C)[C@H]1CN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc21 ZINC001463628441 1068474185 /nfs/dbraw/zinc/47/41/85/1068474185.db2.gz RSMBPJYSGBCEFR-UNMCSNQZSA-N 0 0 456.608 4.767 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C)c(F)c2)c(Br)c1 ZINC001463628072 1068474244 /nfs/dbraw/zinc/47/42/44/1068474244.db2.gz APHGDJSJTMEMHD-QGZVFWFLSA-N 0 0 456.377 4.575 20 0 JJADRN O=S(=O)(NCCCc1ccccc1F)c1csc(-c2ccc(Br)cc2)n1 ZINC001463631016 1068475095 /nfs/dbraw/zinc/47/50/95/1068475095.db2.gz HLZRKLHDEXLXME-UHFFFAOYSA-N 0 0 455.374 4.623 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1F ZINC001463631688 1068475533 /nfs/dbraw/zinc/47/55/33/1068475533.db2.gz MBHJIGUNSVJCKN-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c(Cl)c1Cl ZINC001463633793 1068476373 /nfs/dbraw/zinc/47/63/73/1068476373.db2.gz RATNZOLVKHUQHK-UHFFFAOYSA-N 0 0 454.379 4.686 20 0 JJADRN CCO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC001463632274 1068476381 /nfs/dbraw/zinc/47/63/81/1068476381.db2.gz FNAXJYRCGCNONA-HNNXBMFYSA-N 0 0 453.185 4.812 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1 ZINC001463633135 1068476388 /nfs/dbraw/zinc/47/63/88/1068476388.db2.gz HUUILDHYAVVPBN-FQEVSTJZSA-N 0 0 453.608 4.703 20 0 JJADRN O=S(=O)(Cc1cc(F)ccc1Br)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001463633352 1068476392 /nfs/dbraw/zinc/47/63/92/1068476392.db2.gz PLAIXRNMWAOTIQ-UHFFFAOYSA-N 0 0 457.752 4.542 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1C ZINC001463634473 1068476714 /nfs/dbraw/zinc/47/67/14/1068476714.db2.gz BBXGOABJJBWHEB-MRXNPFEDSA-N 0 0 457.423 4.991 20 0 JJADRN Cc1c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c(=O)n(-c2ccccc2)n1C ZINC001463635498 1068477105 /nfs/dbraw/zinc/47/71/05/1068477105.db2.gz FVWWOAUNZVJXFD-UHFFFAOYSA-N 0 0 458.465 4.879 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(c1cnc2ccccc2c1)C(C)C ZINC001463642489 1068478827 /nfs/dbraw/zinc/47/88/27/1068478827.db2.gz WCXNXNABTDCWLF-UHFFFAOYSA-N 0 0 453.347 4.932 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC001463652240 1068481422 /nfs/dbraw/zinc/48/14/22/1068481422.db2.gz RPKFVBXTGWICMB-UHFFFAOYSA-N 0 0 450.532 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 ZINC001463651740 1068481496 /nfs/dbraw/zinc/48/14/96/1068481496.db2.gz ZBGLQCAXQWCPPI-JOCHJYFZSA-N 0 0 453.583 4.530 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001463652738 1068481614 /nfs/dbraw/zinc/48/16/14/1068481614.db2.gz FXEHINWEEUEGDL-GFCCVEGCSA-N 0 0 452.292 4.837 20 0 JJADRN CC[C@H](C)c1nnc([C@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653496 1068482361 /nfs/dbraw/zinc/48/23/61/1068482361.db2.gz XYSJUJWKWBLYNF-QWRGUYRKSA-N 0 0 459.519 4.500 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC001463653377 1068482466 /nfs/dbraw/zinc/48/24/66/1068482466.db2.gz KKCAAXLYGHQRKM-UHFFFAOYSA-N 0 0 456.391 4.913 20 0 JJADRN CCC(CC)N(c1cccc(C)c1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O ZINC001463653107 1068482490 /nfs/dbraw/zinc/48/24/90/1068482490.db2.gz WFGSQIZYIAANQS-UHFFFAOYSA-N 0 0 456.608 4.642 20 0 JJADRN O=C(CNc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001463655458 1068483075 /nfs/dbraw/zinc/48/30/75/1068483075.db2.gz VSZIYIWGKRRROD-UHFFFAOYSA-N 0 0 450.347 4.845 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1Cl ZINC001463653927 1068483156 /nfs/dbraw/zinc/48/31/56/1068483156.db2.gz NMWHFXLNGYVSBN-UHFFFAOYSA-N 0 0 453.351 4.824 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)CC1 ZINC001463654934 1068483198 /nfs/dbraw/zinc/48/31/98/1068483198.db2.gz SECHJGQRKLJXLW-UHFFFAOYSA-N 0 0 453.963 4.707 20 0 JJADRN O=C(Nc1cccc(Br)c1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC001463655598 1068483774 /nfs/dbraw/zinc/48/37/74/1068483774.db2.gz JWOLERDJBJBXLU-UHFFFAOYSA-N 0 0 457.415 4.764 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 ZINC001463655551 1068483788 /nfs/dbraw/zinc/48/37/88/1068483788.db2.gz WRYLRZQKTSVPBU-HXUWFJFHSA-N 0 0 452.507 4.684 20 0 JJADRN CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCC(CC)(c3ccc(Cl)cc3)CC2)c1 ZINC001463656618 1068484419 /nfs/dbraw/zinc/48/44/19/1068484419.db2.gz ZDMDSUGULADCSV-UHFFFAOYSA-N 0 0 453.963 4.788 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)C[C@@H]1[C@H]1CCCO1 ZINC001463658161 1068485025 /nfs/dbraw/zinc/48/50/25/1068485025.db2.gz ZXGSKQSCGQOROM-BMGDILEWSA-N 0 0 453.377 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)C[C@@H]1[C@@H]1CCCO1 ZINC001463658218 1068485110 /nfs/dbraw/zinc/48/51/10/1068485110.db2.gz ZXGSKQSCGQOROM-QGTPRVQTSA-N 0 0 453.377 4.582 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC001463658539 1068485233 /nfs/dbraw/zinc/48/52/33/1068485233.db2.gz WAADZEPFMQZAGB-UHFFFAOYSA-N 0 0 450.333 4.880 20 0 JJADRN CC(C)COc1ccc(OS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)cc1 ZINC001463659929 1068485712 /nfs/dbraw/zinc/48/57/12/1068485712.db2.gz JJGCFXOFMVAWQV-UHFFFAOYSA-N 0 0 459.749 4.553 20 0 JJADRN CCc1c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC001463661986 1068486345 /nfs/dbraw/zinc/48/63/45/1068486345.db2.gz VWTVZMNXEDFQIX-UHFFFAOYSA-N 0 0 451.741 4.763 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001463664348 1068487817 /nfs/dbraw/zinc/48/78/17/1068487817.db2.gz IQLOGDXIFCHTCZ-HNNXBMFYSA-N 0 0 451.416 4.593 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C(C)C)cc3O)ccc2C)cc1 ZINC001463667526 1068488959 /nfs/dbraw/zinc/48/89/59/1068488959.db2.gz WHPDLQHDNZUGCU-UHFFFAOYSA-N 0 0 454.548 4.886 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N(Cc3c(Cl)cccc3Cl)C3CC3)cc2F)c1 ZINC001463669059 1068488974 /nfs/dbraw/zinc/48/89/74/1068488974.db2.gz RNSJTIHUWCTSBM-UHFFFAOYSA-N 0 0 454.354 4.980 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/CCc3ccccc3)ccc2C)cc1 ZINC001463668120 1068489123 /nfs/dbraw/zinc/48/91/23/1068489123.db2.gz ZTJROZXCQZFQOC-YRNVUSSQSA-N 0 0 450.560 4.932 20 0 JJADRN CCN(C)[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670986 1068489680 /nfs/dbraw/zinc/48/96/80/1068489680.db2.gz CGPJDSHWBXEPEM-DEOSSOPVSA-N 0 0 451.592 4.736 20 0 JJADRN Cc1cc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)sc1Cl ZINC001463671619 1068489701 /nfs/dbraw/zinc/48/97/01/1068489701.db2.gz APKADIVBXWKHCG-UHFFFAOYSA-N 0 0 451.054 4.806 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(N(C)C)cc3)ccc2C)c1 ZINC001463672615 1068489858 /nfs/dbraw/zinc/48/98/58/1068489858.db2.gz BXQANDVJOPMMQN-BJKOFHAPSA-N 0 0 463.603 4.912 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1F)NCC1(c2ccc(Br)s2)CCC1 ZINC001463678631 1068491006 /nfs/dbraw/zinc/49/10/06/1068491006.db2.gz IGUXKOFVSPQSRO-UHFFFAOYSA-N 0 0 452.798 4.844 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Oc2ccc(F)cc2C(=O)c2ccccc2)cc1 ZINC001463682288 1068492308 /nfs/dbraw/zinc/49/23/08/1068492308.db2.gz RLLWOROMCCXKKN-UHFFFAOYSA-N 0 0 455.507 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNS(=O)(=O)c1ccccc1C(C)(C)C ZINC001463683267 1068492384 /nfs/dbraw/zinc/49/23/84/1068492384.db2.gz HRVACGXXCITNIX-OAQYLSRUSA-N 0 0 458.624 4.797 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@H]1CCCCO1)N1CCC(CC(F)(F)F)CC1 ZINC001463684564 1068493043 /nfs/dbraw/zinc/49/30/43/1068493043.db2.gz MVRORZOZIFAZFM-MRXNPFEDSA-N 0 0 455.926 4.641 20 0 JJADRN CC1=C(C)C(=O)N(CCC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1=O ZINC001463686708 1068493560 /nfs/dbraw/zinc/49/35/60/1068493560.db2.gz TXYHVKUQQCWJIC-UHFFFAOYSA-N 0 0 459.365 4.634 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)Cc2cc(Cl)sc2Cl)cc1 ZINC001463688181 1068494168 /nfs/dbraw/zinc/49/41/68/1068494168.db2.gz HMOKAIDQLSWBQB-UHFFFAOYSA-N 0 0 452.381 4.988 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463687983 1068494249 /nfs/dbraw/zinc/49/42/49/1068494249.db2.gz NBCWZZHTDCAXRH-HYVNUMGLSA-N 0 0 459.452 4.715 20 0 JJADRN CCC1(Cn2c(C3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CCOCC1 ZINC001546140919 1068494267 /nfs/dbraw/zinc/49/42/67/1068494267.db2.gz RDPSHLDIRUILLT-NRFANRHFSA-N 0 0 458.569 4.672 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001463689685 1068494860 /nfs/dbraw/zinc/49/48/60/1068494860.db2.gz ZQSUMULZDZXYAX-HXUWFJFHSA-N 0 0 453.457 4.769 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC001463691474 1068495518 /nfs/dbraw/zinc/49/55/18/1068495518.db2.gz JWQKMTUSALSSIK-PMACEKPBSA-N 0 0 450.988 4.702 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC001463691478 1068495533 /nfs/dbraw/zinc/49/55/33/1068495533.db2.gz JWQKMTUSALSSIK-VQTJNVASSA-N 0 0 450.988 4.702 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccnc3C3CC3)ccc2C)cc1 ZINC001463692791 1068495929 /nfs/dbraw/zinc/49/59/29/1068495929.db2.gz GSKZTPQELLUOKI-UHFFFAOYSA-N 0 0 451.548 4.719 20 0 JJADRN COCC[C@H](NS(=O)(=O)c1cc(Cl)cc(COC)c1)c1ccc(Cl)c(Cl)c1 ZINC001463695957 1068497161 /nfs/dbraw/zinc/49/71/61/1068497161.db2.gz WKISIBMDOMISIA-SFHVURJKSA-N 0 0 452.787 4.849 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001463697989 1068497860 /nfs/dbraw/zinc/49/78/60/1068497860.db2.gz NNSLWACAVDFODG-NRFANRHFSA-N 0 0 457.514 4.939 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001463701095 1068499075 /nfs/dbraw/zinc/49/90/75/1068499075.db2.gz QJLDRBWXBZDNDT-LJQANCHMSA-N 0 0 453.402 4.580 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)NCCCc1c[nH]c2ccc(F)cc12 ZINC001463703486 1068500468 /nfs/dbraw/zinc/50/04/68/1068500468.db2.gz XVKVXTKYYWEWAJ-UHFFFAOYSA-N 0 0 459.768 4.775 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC001463717087 1068503753 /nfs/dbraw/zinc/50/37/53/1068503753.db2.gz NNBHNDNMJQITAI-UHFFFAOYSA-N 0 0 452.407 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001463726440 1068505807 /nfs/dbraw/zinc/50/58/07/1068505807.db2.gz YFMLRFJZRUDONT-ROUUACIJSA-N 0 0 457.036 4.615 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001463726437 1068505905 /nfs/dbraw/zinc/50/59/05/1068505905.db2.gz YFMLRFJZRUDONT-MSOLQXFVSA-N 0 0 457.036 4.615 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001463729805 1068506447 /nfs/dbraw/zinc/50/64/47/1068506447.db2.gz MLSPGNHLZTZNSM-SFHVURJKSA-N 0 0 452.349 4.522 20 0 JJADRN O=S(=O)(N[C@H]1CCc2c1ccc(F)c2Br)c1ccc2ccnc(Cl)c2c1 ZINC001463733498 1068507605 /nfs/dbraw/zinc/50/76/05/1068507605.db2.gz KDFRFXGVYRWJBO-INIZCTEOSA-N 0 0 455.736 4.756 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC001463736119 1068507943 /nfs/dbraw/zinc/50/79/43/1068507943.db2.gz KOGAGXBPCKHZNO-UHFFFAOYSA-N 0 0 459.468 4.635 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC001463736742 1068508153 /nfs/dbraw/zinc/50/81/53/1068508153.db2.gz MQONLXUBMLQOQK-UHFFFAOYSA-N 0 0 451.954 4.802 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001463736751 1068508172 /nfs/dbraw/zinc/50/81/72/1068508172.db2.gz MZWYZSVWRDGMDI-XSFVSMFZSA-N 0 0 452.904 4.947 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC001463736388 1068508261 /nfs/dbraw/zinc/50/82/61/1068508261.db2.gz IGFCHGFWLPYFOC-UHFFFAOYSA-N 0 0 455.917 4.633 20 0 JJADRN CCOc1cccc2cc([C@@H](C)NC(=O)Cc3csc(CNC(=O)OC(C)(C)C)n3)oc21 ZINC001463739672 1068508488 /nfs/dbraw/zinc/50/84/88/1068508488.db2.gz ZCAHGBWYKPBPLF-CQSZACIVSA-N 0 0 459.568 4.733 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC001463742092 1068509320 /nfs/dbraw/zinc/50/93/20/1068509320.db2.gz KBFLWABHYIYMFV-QGZVFWFLSA-N 0 0 459.568 4.558 20 0 JJADRN CCCCc1oc2ccccc2c1CN(C)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001463744279 1068510403 /nfs/dbraw/zinc/51/04/03/1068510403.db2.gz MXKQIFIURCBMNI-JGCGQSQUSA-N 0 0 455.576 4.703 20 0 JJADRN CN(C)C(=O)C[C@@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 ZINC001463745085 1068510739 /nfs/dbraw/zinc/51/07/39/1068510739.db2.gz MTLYGQRZGXMJCA-JOCHJYFZSA-N 0 0 458.967 4.630 20 0 JJADRN CN([C@H](CO)c1ccc(Cl)cc1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC001463745771 1068510792 /nfs/dbraw/zinc/51/07/92/1068510792.db2.gz HBAKPLQWGWHOGH-LJQANCHMSA-N 0 0 454.773 4.610 20 0 JJADRN COc1cccc2c1CCN(C(=O)c1ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n1C)C2 ZINC001546141358 1068510904 /nfs/dbraw/zinc/51/09/04/1068510904.db2.gz FGCNSUPBLJCEPC-NRFANRHFSA-N 0 0 453.583 4.694 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@H]1c1cccc(Cl)c1 ZINC001463744727 1068510931 /nfs/dbraw/zinc/51/09/31/1068510931.db2.gz ZIZOZSDOLNZWMJ-WIYYLYMNSA-N 0 0 454.935 4.779 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC001463744723 1068510974 /nfs/dbraw/zinc/51/09/74/1068510974.db2.gz ZIZOZSDOLNZWMJ-RXVVDRJESA-N 0 0 454.935 4.779 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)CC1 ZINC001463748374 1068511772 /nfs/dbraw/zinc/51/17/72/1068511772.db2.gz RBWTYYDPPQIHKB-UHFFFAOYSA-N 0 0 457.574 4.908 20 0 JJADRN C=Cc1ccc(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001463751391 1068512450 /nfs/dbraw/zinc/51/24/50/1068512450.db2.gz RIHHASNBBCDUDJ-UHFFFAOYSA-N 0 0 450.276 4.512 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1C ZINC001463752893 1068512938 /nfs/dbraw/zinc/51/29/38/1068512938.db2.gz ZAIXUWAAXPEFFW-NFBKMPQASA-N 0 0 476.614 4.762 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1OC(C)C ZINC001463759285 1068514658 /nfs/dbraw/zinc/51/46/58/1068514658.db2.gz JNJZKCBTBNFCHM-IIBYNOLFSA-N 0 0 457.514 4.952 20 0 JJADRN CCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C)cc1OC ZINC001463760416 1068515437 /nfs/dbraw/zinc/51/54/37/1068515437.db2.gz MZIHVAKZJDYPTG-QRWLVFNGSA-N 0 0 457.514 4.736 20 0 JJADRN CCc1cc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c(C)cc1OC ZINC001463760420 1068515496 /nfs/dbraw/zinc/51/54/96/1068515496.db2.gz MZIHVAKZJDYPTG-YWZLYKJASA-N 0 0 457.514 4.736 20 0 JJADRN O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001463767364 1068517835 /nfs/dbraw/zinc/51/78/35/1068517835.db2.gz NUTDDVUZEBLWEE-NSHDSACASA-N 0 0 455.683 4.742 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC001463770204 1068518839 /nfs/dbraw/zinc/51/88/39/1068518839.db2.gz YGMLWOOOBLOUTE-HOCLYGCPSA-N 0 0 458.805 4.973 20 0 JJADRN CCCc1sc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1Br ZINC001463772354 1068520042 /nfs/dbraw/zinc/52/00/42/1068520042.db2.gz QCPLLSGTPBIKAA-UHFFFAOYSA-N 0 0 451.434 4.647 20 0 JJADRN COc1cccc(/C=C/c2ccc(OS(=O)(=O)C[C@H](Cc3ccc(F)cc3)OC)cc2)c1 ZINC001463774695 1068521144 /nfs/dbraw/zinc/52/11/44/1068521144.db2.gz JXNNZUBELLHJPS-NPJCXYKHSA-N 0 0 456.535 4.971 20 0 JJADRN COc1cccc(/C=C/c2ccc(OS(=O)(=O)C[C@@H](Cc3ccc(F)cc3)OC)cc2)c1 ZINC001463774703 1068521235 /nfs/dbraw/zinc/52/12/35/1068521235.db2.gz JXNNZUBELLHJPS-ZHBSTKLQSA-N 0 0 456.535 4.971 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N2CCOc3cc(F)c(Br)cc32)c(CC)c1 ZINC001463775748 1068521623 /nfs/dbraw/zinc/52/16/23/1068521623.db2.gz PXIOCXAOGIJEGO-UHFFFAOYSA-N 0 0 456.377 4.863 20 0 JJADRN COCCOc1ccc(S(=O)(=O)Oc2ccc(/C=C/c3cccc(OC)c3)cc2)cc1C ZINC001463775894 1068521757 /nfs/dbraw/zinc/52/17/57/1068521757.db2.gz NAXLXKPRQAKGST-BQYQJAHWSA-N 0 0 454.544 4.967 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1)CC2 ZINC001463781355 1068522626 /nfs/dbraw/zinc/52/26/26/1068522626.db2.gz BLXUENMBJAOKPH-UHFFFAOYSA-N 0 0 454.608 4.535 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001463782985 1068523059 /nfs/dbraw/zinc/52/30/59/1068523059.db2.gz MXJGBIRUDOKJJM-UHFFFAOYSA-N 0 0 458.930 4.721 20 0 JJADRN CC(C)CCc1ccc(S(=O)(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001463782767 1068523315 /nfs/dbraw/zinc/52/33/15/1068523315.db2.gz KQMXHFHZNKSNHE-UHFFFAOYSA-N 0 0 450.645 4.687 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c1 ZINC001463787388 1068524211 /nfs/dbraw/zinc/52/42/11/1068524211.db2.gz VCVYQVLVTZBQND-GOSISDBHSA-N 0 0 456.391 4.956 20 0 JJADRN Nc1c(Cl)cc(F)cc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463792807 1068525733 /nfs/dbraw/zinc/52/57/33/1068525733.db2.gz CDKLECVMRIGKLF-UHFFFAOYSA-N 0 0 459.899 4.887 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCOCC3CC3)cc2)c(C)c1C ZINC001463793204 1068526289 /nfs/dbraw/zinc/52/62/89/1068526289.db2.gz BUAOKDUIZQZDBY-UHFFFAOYSA-N 0 0 458.624 4.576 20 0 JJADRN Cc1ccc(OCCCC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC001463795364 1068526814 /nfs/dbraw/zinc/52/68/14/1068526814.db2.gz MVKPUXBNLFBXKR-UHFFFAOYSA-N 0 0 457.618 4.901 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1C(F)(F)F ZINC001463797674 1068527940 /nfs/dbraw/zinc/52/79/40/1068527940.db2.gz SSVQAGDVXCXHQR-YEORSEQZSA-N 0 0 452.267 4.832 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cnc1N1CCCC[C@@H]1C ZINC001546141763 1068528658 /nfs/dbraw/zinc/52/86/58/1068528658.db2.gz TZHRONZPGLPQOD-RBUKOAKNSA-N 0 0 453.562 4.791 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)C(C)C)cc1OCC ZINC001463799951 1068528960 /nfs/dbraw/zinc/52/89/60/1068528960.db2.gz JUSOEUPYOCTCBY-DEOSSOPVSA-N 0 0 452.551 4.808 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC001463800875 1068529762 /nfs/dbraw/zinc/52/97/62/1068529762.db2.gz PNPPLZKUVQQHKX-FQEVSTJZSA-N 0 0 450.529 4.974 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 ZINC001463802217 1068530088 /nfs/dbraw/zinc/53/00/88/1068530088.db2.gz HHIPODABFTZBSP-BEFAXECRSA-N 0 0 458.805 4.545 20 0 JJADRN CCOc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C(C)C)cc1OCC ZINC001463801116 1068530151 /nfs/dbraw/zinc/53/01/51/1068530151.db2.gz RTHCUOBNLGURJO-GBXCKJPGSA-N 0 0 459.631 4.662 20 0 JJADRN O=C1CCc2cc(S(=O)(=O)N3CCC(c4c(Cl)cccc4Cl)CC3)c(F)cc2N1 ZINC001463802282 1068530178 /nfs/dbraw/zinc/53/01/78/1068530178.db2.gz RPIKXUWAHRPUMB-UHFFFAOYSA-N 0 0 457.354 4.586 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001463802222 1068530187 /nfs/dbraw/zinc/53/01/87/1068530187.db2.gz HHIPODABFTZBSP-DNVCBOLYSA-N 0 0 458.805 4.545 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463801840 1068530285 /nfs/dbraw/zinc/53/02/85/1068530285.db2.gz UDJDTRWNNOGWPV-DHIUTWEWSA-N 0 0 470.560 4.566 20 0 JJADRN C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802692 1068530634 /nfs/dbraw/zinc/53/06/34/1068530634.db2.gz ZJFRRRADYNMMKH-MZNJEOGPSA-N 0 0 456.558 4.502 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC001463802868 1068530805 /nfs/dbraw/zinc/53/08/05/1068530805.db2.gz DIVFXWNEBCHSSL-HNNXBMFYSA-N 0 0 455.399 4.839 20 0 JJADRN CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC001463802869 1068530827 /nfs/dbraw/zinc/53/08/27/1068530827.db2.gz DIVFXWNEBCHSSL-OAHLLOKOSA-N 0 0 455.399 4.839 20 0 JJADRN C[C@@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Br)cc1 ZINC001463805212 1068531327 /nfs/dbraw/zinc/53/13/27/1068531327.db2.gz DLUXBAUPTNIZCB-OAHLLOKOSA-N 0 0 455.318 4.916 20 0 JJADRN CON(Cc1ccccc1Cl)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463807661 1068532189 /nfs/dbraw/zinc/53/21/89/1068532189.db2.gz PLZVPHRWXJMYHE-UHFFFAOYSA-N 0 0 458.683 4.874 20 0 JJADRN CCCCCC[C@@](C)(CC)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC001463807399 1068532252 /nfs/dbraw/zinc/53/22/52/1068532252.db2.gz HCLVEYMAMDTKBH-RUZDIDTESA-N 0 0 459.034 4.921 20 0 JJADRN CCc1c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)nnn1-c1cccc(Cl)c1 ZINC001463810864 1068533441 /nfs/dbraw/zinc/53/34/41/1068533441.db2.gz UYODFKRAIINSBD-UHFFFAOYSA-N 0 0 458.012 4.949 20 0 JJADRN CCOc1ccc([C@H](CNC(=O)c2nccnc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC001463813769 1068534170 /nfs/dbraw/zinc/53/41/70/1068534170.db2.gz WXDFLIQIVNBNLH-KRWDZBQOSA-N 0 0 450.926 4.581 20 0 JJADRN CCOc1ccc([C@@H](CNC(=O)c2nccnc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC001463813779 1068534457 /nfs/dbraw/zinc/53/44/57/1068534457.db2.gz WXDFLIQIVNBNLH-QGZVFWFLSA-N 0 0 450.926 4.581 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001463820622 1068535676 /nfs/dbraw/zinc/53/56/76/1068535676.db2.gz QGODDPLSEIFTIV-QGZVFWFLSA-N 0 0 454.995 4.803 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c2ccccc12 ZINC001463822990 1068536525 /nfs/dbraw/zinc/53/65/25/1068536525.db2.gz AOYMLKTUKNHENS-UHFFFAOYSA-N 0 0 451.588 4.887 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)cc1Cl ZINC001463825480 1068537240 /nfs/dbraw/zinc/53/72/40/1068537240.db2.gz SUOUTNQIAZQJHA-LJQANCHMSA-N 0 0 459.439 4.782 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825775 1068537571 /nfs/dbraw/zinc/53/75/71/1068537571.db2.gz KEGVRBXHCWMANR-YJBOKZPZSA-N 0 0 450.988 4.983 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c(Br)c1 ZINC001463825938 1068537802 /nfs/dbraw/zinc/53/78/02/1068537802.db2.gz MKBNLBSVJZXQBY-UHFFFAOYSA-N 0 0 452.414 4.718 20 0 JJADRN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(I)cc1 ZINC001463826521 1068538349 /nfs/dbraw/zinc/53/83/49/1068538349.db2.gz TWGQTSNKGUTDSW-SFHVURJKSA-N 0 0 454.739 4.512 20 0 JJADRN C[C@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)c1cc(F)c(Cl)cc1Cl ZINC001463827732 1068539437 /nfs/dbraw/zinc/53/94/37/1068539437.db2.gz MLMWVUUUFQWUKZ-KPZWWZAWSA-N 0 0 456.345 4.841 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1)C(F)(F)F ZINC001463836419 1068541919 /nfs/dbraw/zinc/54/19/19/1068541919.db2.gz SMABAPGIQHQUOJ-UHFFFAOYSA-N 0 0 453.269 4.636 20 0 JJADRN COc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1OCC(F)(F)F ZINC001463837586 1068542317 /nfs/dbraw/zinc/54/23/17/1068542317.db2.gz USRNQOUXVZXGMB-UHFFFAOYSA-N 0 0 452.454 4.853 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001463837094 1068542403 /nfs/dbraw/zinc/54/24/03/1068542403.db2.gz PVRIBURINUWQAZ-QFIPXVFZSA-N 0 0 458.562 4.850 20 0 JJADRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001463837947 1068542568 /nfs/dbraw/zinc/54/25/68/1068542568.db2.gz OWHFHSRAQYBHBP-HSZRJFAPSA-N 0 0 451.954 4.592 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463841302 1068544095 /nfs/dbraw/zinc/54/40/95/1068544095.db2.gz GFKMMXDDHSMVDW-PKOBYXMFSA-N 0 0 457.036 4.839 20 0 JJADRN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001463843330 1068545173 /nfs/dbraw/zinc/54/51/73/1068545173.db2.gz MSQAAHWBLANDIE-NRFANRHFSA-N 0 0 454.633 4.604 20 0 JJADRN O=S(=O)(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cccnc1Oc1ccc(F)cc1 ZINC001463844413 1068545184 /nfs/dbraw/zinc/54/51/84/1068545184.db2.gz OTFSTRPNGSMMFC-JOCHJYFZSA-N 0 0 456.539 4.585 20 0 JJADRN CO[C@H](CC(C)C)CS(=O)(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001463843334 1068545205 /nfs/dbraw/zinc/54/52/05/1068545205.db2.gz MSQAAHWBLANDIE-OAQYLSRUSA-N 0 0 454.633 4.604 20 0 JJADRN C[C@H](Cc1cccc(F)c1)N(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463849945 1068547565 /nfs/dbraw/zinc/54/75/65/1068547565.db2.gz GGOUMFVQWHMJFD-LLVKDONJSA-N 0 0 454.283 4.859 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCn1ccc2ccccc21)OCc1ccccc1 ZINC001463851284 1068548408 /nfs/dbraw/zinc/54/84/08/1068548408.db2.gz XRCWNPDDMPKSHH-VWLOTQADSA-N 0 0 455.558 4.685 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001463859852 1068549115 /nfs/dbraw/zinc/54/91/15/1068549115.db2.gz OOPUHHIJRYUUJV-YIXXDRMTSA-N 0 0 456.627 4.904 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001463859850 1068549388 /nfs/dbraw/zinc/54/93/88/1068549388.db2.gz OOPUHHIJRYUUJV-WNCULLNHSA-N 0 0 456.627 4.904 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC001463863096 1068549663 /nfs/dbraw/zinc/54/96/63/1068549663.db2.gz QEZDAKGGZPTSMS-GOSISDBHSA-N 0 0 458.400 4.831 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC=C(COC)CC2)CCC1 ZINC001546142297 1068549757 /nfs/dbraw/zinc/54/97/57/1068549757.db2.gz HOFYDAYWEVQVEW-UHFFFAOYSA-N 0 0 473.662 4.756 20 0 JJADRN O=C(CCC(=O)Nc1ccccc1OCC(F)(F)F)Nc1nnc(C2CCCCC2)s1 ZINC001463863953 1068550188 /nfs/dbraw/zinc/55/01/88/1068550188.db2.gz UDNGMVFHLVYWAZ-UHFFFAOYSA-N 0 0 456.490 4.884 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001463864753 1068550371 /nfs/dbraw/zinc/55/03/71/1068550371.db2.gz AREYIKXYOPXMLP-VQIMIIECSA-N 0 0 451.972 4.530 20 0 JJADRN CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001463864743 1068550396 /nfs/dbraw/zinc/55/03/96/1068550396.db2.gz AREYIKXYOPXMLP-LPHOPBHVSA-N 0 0 451.972 4.530 20 0 JJADRN CCc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1CC ZINC001463871222 1068551939 /nfs/dbraw/zinc/55/19/39/1068551939.db2.gz GQUKZVDLDAWIFD-XZOQPEGZSA-N 0 0 476.614 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC001463872834 1068552423 /nfs/dbraw/zinc/55/24/23/1068552423.db2.gz GSZJMQYUEGCYST-CJFMBICVSA-N 0 0 458.530 4.806 20 0 JJADRN COc1ccc([C@@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2sc(C)cc2C)cc1 ZINC001463872905 1068552465 /nfs/dbraw/zinc/55/24/65/1068552465.db2.gz PZJXMZGPUFSWOL-MBSDFSHPSA-N 0 0 459.633 4.729 20 0 JJADRN COc1ccc([C@@H](O)CN([C@@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC001463874257 1068553102 /nfs/dbraw/zinc/55/31/02/1068553102.db2.gz WMORGNLPCLYWBT-SBUREZEXSA-N 0 0 459.633 4.729 20 0 JJADRN COc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)cc1OCc1ccncc1 ZINC001463874756 1068553400 /nfs/dbraw/zinc/55/34/00/1068553400.db2.gz RGSGXSJHBLIRAG-UHFFFAOYSA-N 0 0 453.495 4.539 20 0 JJADRN COCCOc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cn1 ZINC001463876523 1068553459 /nfs/dbraw/zinc/55/34/59/1068553459.db2.gz IEDCVXROLCQUBO-UHFFFAOYSA-N 0 0 451.548 4.552 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)NCc2cccc(Br)c2Cl)c1 ZINC001463877767 1068554081 /nfs/dbraw/zinc/55/40/81/1068554081.db2.gz JEPZDJMCPIYZLT-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN Cc1c(Br)scc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001463878230 1068554088 /nfs/dbraw/zinc/55/40/88/1068554088.db2.gz BWISRNSSDFVQSX-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463881942 1068554558 /nfs/dbraw/zinc/55/45/58/1068554558.db2.gz HAWDBFCTGQRCIT-HTAPYJJXSA-N 0 0 458.965 4.801 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC001463883265 1068555184 /nfs/dbraw/zinc/55/51/84/1068555184.db2.gz PMPJQHKHBNTTKY-QFIPXVFZSA-N 0 0 450.000 4.895 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC001463887643 1068556107 /nfs/dbraw/zinc/55/61/07/1068556107.db2.gz SUDYTTNMQALKKP-NRFANRHFSA-N 0 0 452.414 4.851 20 0 JJADRN CCc1cccc(S(=O)(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 ZINC001463887229 1068556126 /nfs/dbraw/zinc/55/61/26/1068556126.db2.gz MDERPTXTACCLIO-IBVKSMDESA-N 0 0 453.604 4.613 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCCCCO)CCCC1 ZINC001546142489 1068556750 /nfs/dbraw/zinc/55/67/50/1068556750.db2.gz LBWRVVYAQVIQEV-UHFFFAOYSA-N 0 0 477.694 4.962 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1ccc(NC(=O)NC(C)C)cc1)N2C(=O)OC(C)(C)C ZINC001463892958 1068557577 /nfs/dbraw/zinc/55/75/77/1068557577.db2.gz DCXNHVSLVQZSQT-OAQYLSRUSA-N 0 0 452.555 4.830 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)NCc1cc(Cl)cc(Br)c1 ZINC001463893811 1068557777 /nfs/dbraw/zinc/55/77/77/1068557777.db2.gz NHWUGKFHAJFGKP-UHFFFAOYSA-N 0 0 459.612 4.713 20 0 JJADRN CC1(C)CCC(C)(CNS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 ZINC001463893691 1068557873 /nfs/dbraw/zinc/55/78/73/1068557873.db2.gz ISMZQBFGWUOPKI-RTWAWAEBSA-N 0 0 450.645 4.607 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463897135 1068558922 /nfs/dbraw/zinc/55/89/22/1068558922.db2.gz MSFCXXSHEKZIOO-GCJKJVERSA-N 0 0 451.567 4.763 20 0 JJADRN CN(C1CC(OC(C)(C)C)C1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001463903812 1068560503 /nfs/dbraw/zinc/56/05/03/1068560503.db2.gz DTHZDFPVJIOKMU-UHFFFAOYSA-N 0 0 459.431 4.539 20 0 JJADRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC001463903013 1068560646 /nfs/dbraw/zinc/56/06/46/1068560646.db2.gz FSOMBVYKKXOJHB-UHFFFAOYSA-N 0 0 457.530 4.655 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ncsc1Nc1cccnc1 ZINC001463904147 1068561028 /nfs/dbraw/zinc/56/10/28/1068561028.db2.gz OXWFDLYZEYXTDP-UHFFFAOYSA-N 0 0 450.351 4.689 20 0 JJADRN Cc1c(Br)cccc1S(=O)(=O)Oc1cnc2ccccc2c1Br ZINC001463907561 1068561512 /nfs/dbraw/zinc/56/15/12/1068561512.db2.gz BQIJZBYTJFQPAS-UHFFFAOYSA-N 0 0 457.143 4.836 20 0 JJADRN CCCCc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)c2cccs2)cc1 ZINC001463908471 1068562116 /nfs/dbraw/zinc/56/21/16/1068562116.db2.gz ANKBFPHXNWTPSD-QHCPKHFHSA-N 0 0 456.633 4.908 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001463912427 1068563651 /nfs/dbraw/zinc/56/36/51/1068563651.db2.gz PHIWAJWITNYAGI-GHTZIAJQSA-N 0 0 457.596 4.576 20 0 JJADRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(CNc3ccncn3)c2)cc1 ZINC001463913898 1068563682 /nfs/dbraw/zinc/56/36/82/1068563682.db2.gz MFKUARKTANYASK-UHFFFAOYSA-N 0 0 451.530 4.579 20 0 JJADRN CCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1 ZINC001463914483 1068564051 /nfs/dbraw/zinc/56/40/51/1068564051.db2.gz LMLDHIAYGCDZLR-UHFFFAOYSA-N 0 0 452.576 4.939 20 0 JJADRN Cc1cc(C)nc(Sc2ccc(NC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)cc2)n1 ZINC001463915344 1068564135 /nfs/dbraw/zinc/56/41/35/1068564135.db2.gz QVYOZDYDNWZEJQ-UHFFFAOYSA-N 0 0 454.502 4.880 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)c1ccccc1 ZINC001463916857 1068564750 /nfs/dbraw/zinc/56/47/50/1068564750.db2.gz GQYVIVIAKZJKHI-IRLDBZIGSA-N 0 0 451.567 4.736 20 0 JJADRN CNc1cc(I)ccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC001463915726 1068565042 /nfs/dbraw/zinc/56/50/42/1068565042.db2.gz SEYUPKASVFGGLT-UHFFFAOYSA-N 0 0 451.308 4.570 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC001463918593 1068565628 /nfs/dbraw/zinc/56/56/28/1068565628.db2.gz YZPYCAMZMXLVCW-UHFFFAOYSA-N 0 0 454.914 4.540 20 0 JJADRN COc1ccc([C@@H](CNC(=O)Cn2cc(C)c(C(F)(F)F)n2)c2c[nH]c3ccccc32)cc1 ZINC001463928356 1068568037 /nfs/dbraw/zinc/56/80/37/1068568037.db2.gz AEMMXEQMGPTDFA-LJQANCHMSA-N 0 0 456.468 4.649 20 0 JJADRN O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001463932716 1068569182 /nfs/dbraw/zinc/56/91/82/1068569182.db2.gz ABJSJFPQJCFCJI-YLJYHZDGSA-N 0 0 466.784 4.752 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2ccnc(NC(=O)C(C)C)c2)c2c[nH]c3ccccc32)cc1 ZINC001463933228 1068569791 /nfs/dbraw/zinc/56/97/91/1068569791.db2.gz RWWCSTMPEYOIQM-JOCHJYFZSA-N 0 0 456.546 4.728 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001463933111 1068569803 /nfs/dbraw/zinc/56/98/03/1068569803.db2.gz QDZVQRYEYAVPFS-QFIPXVFZSA-N 0 0 456.514 4.812 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCCCSc1ccc(F)cc1 ZINC001463938470 1068570727 /nfs/dbraw/zinc/57/07/27/1068570727.db2.gz KEVOCGQBXOZEPL-HSZRJFAPSA-N 0 0 452.551 4.691 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCCSc2ccc(F)cc2)cc1 ZINC001463938621 1068571143 /nfs/dbraw/zinc/57/11/43/1068571143.db2.gz LWJHWXDENXXROQ-GOSISDBHSA-N 0 0 450.377 4.720 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001463946130 1068572376 /nfs/dbraw/zinc/57/23/76/1068572376.db2.gz BHGJJHNEUXMGAQ-YLSNXBBWSA-N 0 0 458.942 4.825 20 0 JJADRN CC(C)CCC[C@H](C)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001463950431 1068572817 /nfs/dbraw/zinc/57/28/17/1068572817.db2.gz SOHHYXVAMONWEY-HNNXBMFYSA-N 0 0 457.566 4.732 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC2)cs1 ZINC001463950922 1068573284 /nfs/dbraw/zinc/57/32/84/1068573284.db2.gz SWYCKCFBSZDLEJ-JOCHJYFZSA-N 0 0 459.974 4.709 20 0 JJADRN Cc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)nc2ccccc12 ZINC001463954194 1068574299 /nfs/dbraw/zinc/57/42/99/1068574299.db2.gz UMRDZYLCLLSCGC-MOSHPQCFSA-N 0 0 451.935 4.663 20 0 JJADRN COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1O ZINC001463966047 1068577258 /nfs/dbraw/zinc/57/72/58/1068577258.db2.gz OGLJZJAEVSZCEX-QFIPXVFZSA-N 0 0 455.436 4.744 20 0 JJADRN CCN(c1ccc(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(C)C ZINC001463966610 1068577336 /nfs/dbraw/zinc/57/73/36/1068577336.db2.gz MXWHLVRFODJPMO-UHFFFAOYSA-N 0 0 458.411 4.535 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463971323 1068578265 /nfs/dbraw/zinc/57/82/65/1068578265.db2.gz PSBJBJJGCDLZAT-RYQLBKOJSA-N 0 0 453.645 4.664 20 0 JJADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(Oc4ccncc4)c3)C2=O)cc1 ZINC001463972473 1068578790 /nfs/dbraw/zinc/57/87/90/1068578790.db2.gz XSFPOWAFQDKHAI-PXLXIMEGSA-N 0 0 459.527 4.649 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)N(CCC(N)=O)Cc3ccccc3)cc2s1 ZINC001463971392 1068578805 /nfs/dbraw/zinc/57/88/05/1068578805.db2.gz RWMBHJGUNUGZQY-UHFFFAOYSA-N 0 0 450.589 4.928 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001463972938 1068579359 /nfs/dbraw/zinc/57/93/59/1068579359.db2.gz WBYOVVZJSFQLFA-XFBWCDHKSA-N 0 0 480.852 4.773 20 0 JJADRN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001463978301 1068580251 /nfs/dbraw/zinc/58/02/51/1068580251.db2.gz VDSFQTFYTOQBNU-JTQLQIEISA-N 0 0 453.741 4.687 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OC(F)(F)O3)cc1C(C)C ZINC001463983786 1068581319 /nfs/dbraw/zinc/58/13/19/1068581319.db2.gz BVZCFWAMXBZYNP-UHFFFAOYSA-N 0 0 455.523 4.831 20 0 JJADRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 ZINC001463989254 1068581993 /nfs/dbraw/zinc/58/19/93/1068581993.db2.gz ZZTOKRJAYHAXBN-QHCPKHFHSA-N 0 0 454.617 4.555 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)NC(=O)OC(C)(C)C ZINC001463987300 1068582026 /nfs/dbraw/zinc/58/20/26/1068582026.db2.gz DLZVSOZZZCARHN-LJQANCHMSA-N 0 0 458.628 4.974 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)c(=O)[nH]c21 ZINC001463991818 1068582557 /nfs/dbraw/zinc/58/25/57/1068582557.db2.gz KQHPGKKCBMLMJE-IZZDOVSWSA-N 0 0 450.926 4.891 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCc2ccc(F)cc21 ZINC001463990989 1068582580 /nfs/dbraw/zinc/58/25/80/1068582580.db2.gz GYHULDHSDVSRAF-SNVBAGLBSA-N 0 0 450.732 4.731 20 0 JJADRN COc1ccc(-c2cc(NC(=O)c3c(Br)nc4n3CCCC4)ccc2OC)cc1 ZINC001463991740 1068582689 /nfs/dbraw/zinc/58/26/89/1068582689.db2.gz PTUWEPCWIOETOZ-UHFFFAOYSA-N 0 0 456.340 4.918 20 0 JJADRN COc1cc(CNC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)ccc1OCc1ccccc1 ZINC001463994358 1068582982 /nfs/dbraw/zinc/58/29/82/1068582982.db2.gz JRZXSHOYJUQAKC-QVKFZJNVSA-N 0 0 474.483 4.708 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)cc2)c(OC)c1 ZINC001463999832 1068584184 /nfs/dbraw/zinc/58/41/84/1068584184.db2.gz UEJWFAWORBOOSR-UHFFFAOYSA-N 0 0 459.546 4.612 20 0 JJADRN CSc1nnc(CCCNC(=O)c2cc(Oc3ccccc3)ccc2O)n1C1CCCC1 ZINC001463998359 1068584198 /nfs/dbraw/zinc/58/41/98/1068584198.db2.gz VCFAOTKHCCHIET-UHFFFAOYSA-N 0 0 452.580 4.976 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1 ZINC001464000388 1068584858 /nfs/dbraw/zinc/58/48/58/1068584858.db2.gz BJAPPSBIXJCXCU-INIZCTEOSA-N 0 0 450.576 4.842 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001464001596 1068584935 /nfs/dbraw/zinc/58/49/35/1068584935.db2.gz YUUCSBABUNGHMV-PXNSSMCTSA-N 0 0 452.661 4.997 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001463999841 1068584982 /nfs/dbraw/zinc/58/49/82/1068584982.db2.gz SSLXKLGELHUSQU-IBGZPJMESA-N 0 0 451.466 4.574 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001464001591 1068585016 /nfs/dbraw/zinc/58/50/16/1068585016.db2.gz YUUCSBABUNGHMV-FXAWDEMLSA-N 0 0 452.661 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)NCCCSc3ccccc3)C2)C1 ZINC001464003559 1068585502 /nfs/dbraw/zinc/58/55/02/1068585502.db2.gz ZRAAVOKAYZOXPQ-FRIYVGAWSA-N 0 0 450.670 4.854 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H]1CCNC(=O)OC(C)(C)C ZINC001464001862 1068585516 /nfs/dbraw/zinc/58/55/16/1068585516.db2.gz ZYJOAWBTYHMNCN-BBRMVZONSA-N 0 0 451.416 4.697 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1 ZINC001464002332 1068585637 /nfs/dbraw/zinc/58/56/37/1068585637.db2.gz MTBWJMBKMKSNEB-UHFFFAOYSA-N 0 0 450.576 4.527 20 0 JJADRN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(I)ccc1O ZINC001464006274 1068586685 /nfs/dbraw/zinc/58/66/85/1068586685.db2.gz YBEHPBVYTBALSO-QGZVFWFLSA-N 0 0 453.276 4.717 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001464005967 1068586709 /nfs/dbraw/zinc/58/67/09/1068586709.db2.gz GIMVIEODQPZMTM-HNNXBMFYSA-N 0 0 458.407 4.759 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001464007926 1068587122 /nfs/dbraw/zinc/58/71/22/1068587122.db2.gz MGDAMHSNSZOBTA-HUUCEWRRSA-N 0 0 458.407 4.758 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNS(=O)(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC001464006997 1068587137 /nfs/dbraw/zinc/58/71/37/1068587137.db2.gz JXUITTZYTIHKBQ-AREMUKBSSA-N 0 0 451.588 4.516 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001464009170 1068587624 /nfs/dbraw/zinc/58/76/24/1068587624.db2.gz XEZNMZCYWIKIQY-QFIPXVFZSA-N 0 0 451.567 4.641 20 0 JJADRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC001464012480 1068588831 /nfs/dbraw/zinc/58/88/31/1068588831.db2.gz DGCSLMGMKOCMDZ-FYYLOGMGSA-N 0 0 454.615 4.537 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)c2ccccc12 ZINC001464013292 1068588854 /nfs/dbraw/zinc/58/88/54/1068588854.db2.gz YMGYZEVAEBBXEF-NRFANRHFSA-N 0 0 455.576 4.954 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001464013189 1068588892 /nfs/dbraw/zinc/58/88/92/1068588892.db2.gz FQPYINUCPAHGID-JOCHJYFZSA-N 0 0 454.570 4.704 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(Br)c2)CCc2ccccc21 ZINC001464015596 1068589233 /nfs/dbraw/zinc/58/92/33/1068589233.db2.gz PHJJIZZAHGIJJA-LBPRGKRZSA-N 0 0 459.203 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNS(=O)(=O)c1ccccc1Cl ZINC001464016205 1068589922 /nfs/dbraw/zinc/58/99/22/1068589922.db2.gz PJIOYBSOJUGJNI-KRWDZBQOSA-N 0 0 450.988 4.765 20 0 JJADRN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001464016552 1068590009 /nfs/dbraw/zinc/59/00/09/1068590009.db2.gz ROIXPYIMDCAULT-HNNXBMFYSA-N 0 0 456.992 4.658 20 0 JJADRN O=S(=O)(NCc1ccnc(Oc2ccccc2)c1)c1cccc(Cl)c1Br ZINC001464017865 1068590492 /nfs/dbraw/zinc/59/04/92/1068590492.db2.gz IJOOTDHLEXOHIZ-UHFFFAOYSA-N 0 0 453.745 4.768 20 0 JJADRN O=S(=O)(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Br)c(Cl)c1 ZINC001464018576 1068590529 /nfs/dbraw/zinc/59/05/29/1068590529.db2.gz LCMSRRSUJZQLBF-UHFFFAOYSA-N 0 0 453.745 4.768 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N3CC(Oc4cccc(Cl)c4Cl)C3)cc2)n1 ZINC001464021793 1068591247 /nfs/dbraw/zinc/59/12/47/1068591247.db2.gz GNTTWZGLFFQROS-UHFFFAOYSA-N 0 0 455.388 4.877 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N(C)[C@H](CO)c3cccc(Cl)c3Cl)c2)n1 ZINC001464026786 1068592099 /nfs/dbraw/zinc/59/20/99/1068592099.db2.gz XRVXBVCCALJYRD-QGZVFWFLSA-N 0 0 455.363 4.619 20 0 JJADRN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)s1 ZINC001464024347 1068592338 /nfs/dbraw/zinc/59/23/38/1068592338.db2.gz FCOILTAEDBQOOV-SJORKVTESA-N 0 0 458.605 4.564 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1 ZINC001464030365 1068593535 /nfs/dbraw/zinc/59/35/35/1068593535.db2.gz VSOBYYGYBWUEEA-HXUWFJFHSA-N 0 0 452.576 4.593 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CCc1nc2cccnc2[nH]1 ZINC001464030740 1068594015 /nfs/dbraw/zinc/59/40/15/1068594015.db2.gz ZNECRZBEMVVLCQ-UHFFFAOYSA-N 0 0 450.564 4.588 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001546143784 1068596226 /nfs/dbraw/zinc/59/62/26/1068596226.db2.gz VIRNNCQVKGDMSI-UHFFFAOYSA-N 0 0 459.377 4.787 20 0 JJADRN O=C(NCCN1CCN(c2ccccc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001464040578 1068596721 /nfs/dbraw/zinc/59/67/21/1068596721.db2.gz CSYPFDDQYPVEKO-UHFFFAOYSA-N 0 0 459.556 4.846 20 0 JJADRN O=C(Cc1nc(C2CC2)cs1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464043546 1068597982 /nfs/dbraw/zinc/59/79/82/1068597982.db2.gz XMZXLOZJAYYQLM-UHFFFAOYSA-N 0 0 456.995 4.817 20 0 JJADRN CC(C)(CCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)c1ccccc1 ZINC001464044452 1068598527 /nfs/dbraw/zinc/59/85/27/1068598527.db2.gz YMCJSFPTEYTESJ-UHFFFAOYSA-N 0 0 452.986 4.792 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC001464044910 1068598682 /nfs/dbraw/zinc/59/86/82/1068598682.db2.gz OESSAGBZJBNPDZ-HSZRJFAPSA-N 0 0 457.014 4.827 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001464048088 1068599738 /nfs/dbraw/zinc/59/97/38/1068599738.db2.gz VMWUOWZMIAHXBF-JCMHNJIXSA-N 0 0 453.464 4.920 20 0 JJADRN COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)c1 ZINC001464054287 1068600942 /nfs/dbraw/zinc/60/09/42/1068600942.db2.gz LZUOXVFRCCYPPP-QGZVFWFLSA-N 0 0 459.571 4.791 20 0 JJADRN O=C(NCc1ccccc1C(F)(F)F)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001464052383 1068601012 /nfs/dbraw/zinc/60/10/12/1068601012.db2.gz MXHLHIZCZFQSIQ-UHFFFAOYSA-N 0 0 459.649 4.893 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2C)c(C)c1 ZINC001464055565 1068601799 /nfs/dbraw/zinc/60/17/99/1068601799.db2.gz WGDUWFCNDCQFAJ-UHFFFAOYSA-N 0 0 458.530 4.929 20 0 JJADRN CCOC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)c3)CC2)nc1 ZINC001464059922 1068602902 /nfs/dbraw/zinc/60/29/02/1068602902.db2.gz ZTOVXAJHLOMHOM-UHFFFAOYSA-N 0 0 455.967 4.603 20 0 JJADRN C[C@@H](C(=O)N(Cc1cc(Br)ccc1F)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001464067716 1068604170 /nfs/dbraw/zinc/60/41/70/1068604170.db2.gz VNHHMGNYOBCTNZ-CYBMUJFWSA-N 0 0 455.368 4.582 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001464072175 1068605697 /nfs/dbraw/zinc/60/56/97/1068605697.db2.gz FELRTGABIGQPSD-QHCPKHFHSA-N 0 0 459.011 4.845 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC001546144078 1068607020 /nfs/dbraw/zinc/60/70/20/1068607020.db2.gz CQBKVTAIKSRTBO-QFIPXVFZSA-N 0 0 483.701 4.965 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c(C)c1 ZINC001464075787 1068607061 /nfs/dbraw/zinc/60/70/61/1068607061.db2.gz XPMQDPBKNFFNEF-SFTDATJTSA-N 0 0 459.631 4.872 20 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CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001464351288 1068716099 /nfs/dbraw/zinc/71/60/99/1068716099.db2.gz PCZVIKVIOMRWKW-IBGZPJMESA-N 0 0 455.020 4.530 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)cc1C ZINC001464352832 1068716112 /nfs/dbraw/zinc/71/61/12/1068716112.db2.gz WBSBSGAJSHVYOD-UHFFFAOYSA-N 0 0 456.486 4.716 20 0 JJADRN CC(C)(C)c1cc(OS(=O)(=O)C[C@H]2CCC(F)(F)C2)ccc1I ZINC001464353093 1068716744 /nfs/dbraw/zinc/71/67/44/1068716744.db2.gz JTQBIGULWJSQOF-NSHDSACASA-N 0 0 458.308 4.733 20 0 JJADRN CCN([C@H](CO)c1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001464353900 1068716780 /nfs/dbraw/zinc/71/67/80/1068716780.db2.gz PSKBWWSSJSZXQF-OAHLLOKOSA-N 0 0 453.185 4.500 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC001464354248 1068717388 /nfs/dbraw/zinc/71/73/88/1068717388.db2.gz YHKDXTOETDKCET-UHFFFAOYSA-N 0 0 450.764 4.589 20 0 JJADRN C[C@@H](NC(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001464356716 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MABUNXJOWTWXJN-UHFFFAOYSA-N 0 0 453.365 4.747 20 0 JJADRN C[C@@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1C(F)(F)F ZINC001464374779 1068723115 /nfs/dbraw/zinc/72/31/15/1068723115.db2.gz FPIGLZVPTSVMJP-SJORKVTESA-N 0 0 458.484 4.764 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)n2)cc1C ZINC001464378522 1068724689 /nfs/dbraw/zinc/72/46/89/1068724689.db2.gz JNVADFUETADTGS-QHCPKHFHSA-N 0 0 456.568 4.521 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC001464380582 1068725230 /nfs/dbraw/zinc/72/52/30/1068725230.db2.gz AEEKWEIGTDRQMH-HNNXBMFYSA-N 0 0 455.352 4.967 20 0 JJADRN Cc1cccc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1Br ZINC001464381786 1068725766 /nfs/dbraw/zinc/72/57/66/1068725766.db2.gz OOWSCLUYROTLSG-CQSZACIVSA-N 0 0 452.190 4.776 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC001464380949 1068725835 /nfs/dbraw/zinc/72/58/35/1068725835.db2.gz CRCKMXCTYOGJDU-CQSZACIVSA-N 0 0 451.361 4.818 20 0 JJADRN 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CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@H](OC)c2ccccc2)cc1 ZINC001464408010 1068735627 /nfs/dbraw/zinc/73/56/27/1068735627.db2.gz YBHOPTVQWQONAF-QFIPXVFZSA-N 0 0 455.601 4.749 20 0 JJADRN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001464408895 1068736217 /nfs/dbraw/zinc/73/62/17/1068736217.db2.gz ZWJHEAAZMCOIES-KRWDZBQOSA-N 0 0 453.608 4.840 20 0 JJADRN CO[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)c1ccccc1 ZINC001464416620 1068738080 /nfs/dbraw/zinc/73/80/80/1068738080.db2.gz SJJRHQRENRXDAT-RTBURBONSA-N 0 0 452.473 4.775 20 0 JJADRN C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC001464425890 1068741076 /nfs/dbraw/zinc/74/10/76/1068741076.db2.gz CXTIIXIWACPWBL-ZWKOTPCHSA-N 0 0 450.922 4.821 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001464427656 1068741605 /nfs/dbraw/zinc/74/16/05/1068741605.db2.gz YQNCRTDTXPJRNV-WOJBJXKFSA-N 0 0 450.579 4.872 20 0 JJADRN 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COc1ccsc1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br ZINC001464431838 1068742693 /nfs/dbraw/zinc/74/26/93/1068742693.db2.gz LAMPWRWQEHHXGU-GOSISDBHSA-N 0 0 452.395 4.929 20 0 JJADRN CCN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)S(=O)(=O)Cc1noc(C)n1 ZINC001464431849 1068742752 /nfs/dbraw/zinc/74/27/52/1068742752.db2.gz ASOCOZVNEHPHCY-UHFFFAOYSA-N 0 0 456.351 4.829 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC001464432144 1068743307 /nfs/dbraw/zinc/74/33/07/1068743307.db2.gz UXUQKHILGQWERW-UHFFFAOYSA-N 0 0 453.351 4.583 20 0 JJADRN CC1=C(C)C(=O)N(CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)C1=O ZINC001464432829 1068743357 /nfs/dbraw/zinc/74/33/57/1068743357.db2.gz QLDUBXMWYGBUPC-UHFFFAOYSA-N 0 0 451.281 4.959 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](CC)Cc2cccc(Br)c2)cc1 ZINC001464432116 1068743461 /nfs/dbraw/zinc/74/34/61/1068743461.db2.gz UMGGLXFTIAVRIK-MRXNPFEDSA-N 0 0 453.402 4.808 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)c(CC)c1 ZINC001464434613 1068743886 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CAFMQKCYRPEBCJ-HSZRJFAPSA-N 0 0 452.457 4.805 20 0 JJADRN Cc1csc([C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Br)cc3Cl)C2)n1 ZINC001464441555 1068747165 /nfs/dbraw/zinc/74/71/65/1068747165.db2.gz GPWOPDRXDDCZIU-SECBINFHSA-N 0 0 456.214 4.699 20 0 JJADRN Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3[nH]ccc3-c3ccccc3)cc2)cc1 ZINC001464442454 1068747232 /nfs/dbraw/zinc/74/72/32/1068747232.db2.gz HHPUJJXFMDZJIP-UHFFFAOYSA-N 0 0 453.542 4.980 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001464442434 1068747249 /nfs/dbraw/zinc/74/72/49/1068747249.db2.gz HCVIFZBEXCMPIT-NRFANRHFSA-N 0 0 450.501 4.957 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001464442437 1068747298 /nfs/dbraw/zinc/74/72/98/1068747298.db2.gz HCVIFZBEXCMPIT-OAQYLSRUSA-N 0 0 450.501 4.957 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC001464442633 1068747812 /nfs/dbraw/zinc/74/78/12/1068747812.db2.gz QECPUPKNGYAQIY-CABCVRRESA-N 0 0 451.350 4.698 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)c(C(C)(C)C)n2)cc1 ZINC001464443021 1068747820 /nfs/dbraw/zinc/74/78/20/1068747820.db2.gz PYGLRWOOQVSYCR-IBGZPJMESA-N 0 0 454.615 4.855 20 0 JJADRN O=C(c1csc(Cc2ccccc2F)n1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001464443981 1068748296 /nfs/dbraw/zinc/74/82/96/1068748296.db2.gz QXBVQFYDTPQVKT-UHFFFAOYSA-N 0 0 457.958 4.515 20 0 JJADRN Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cccc4cc(O)ccc43)cc2)cc1 ZINC001464444899 1068748338 /nfs/dbraw/zinc/74/83/38/1068748338.db2.gz NNZCHSBIJRSRPV-UHFFFAOYSA-N 0 0 454.526 4.844 20 0 JJADRN CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CCc2ccccc2C1 ZINC001464445448 1068748347 /nfs/dbraw/zinc/74/83/47/1068748347.db2.gz WCKMKRXHRNIPMH-DHIUTWEWSA-N 0 0 457.412 4.813 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2cccc3ccccc32)c1C ZINC001464444854 1068748404 /nfs/dbraw/zinc/74/84/04/1068748404.db2.gz XYRDGKANMQWCSD-DEOSSOPVSA-N 0 0 450.604 4.715 20 0 JJADRN CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H](C)c1cc2ccccc2o1 ZINC001464450486 1068749917 /nfs/dbraw/zinc/74/99/17/1068749917.db2.gz IKMVXLHNCMFCRN-MCPCIJHBSA-N 0 0 453.583 4.869 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c(O)c1)c1cc(F)cc(F)c1 ZINC001464448792 1068750004 /nfs/dbraw/zinc/75/00/04/1068750004.db2.gz FUQDXTGVGDVGAC-FQEVSTJZSA-N 0 0 456.420 4.706 20 0 JJADRN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001464449505 1068750256 /nfs/dbraw/zinc/75/02/56/1068750256.db2.gz KSQCBSSHSKBZQS-HNNXBMFYSA-N 0 0 455.527 4.749 20 0 JJADRN COCC1(N(C)S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCC1 ZINC001464451019 1068750584 /nfs/dbraw/zinc/75/05/84/1068750584.db2.gz PRFVNOIQHOISPR-UHFFFAOYSA-N 0 0 458.349 4.570 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1F ZINC001464451138 1068750633 /nfs/dbraw/zinc/75/06/33/1068750633.db2.gz LPJQDKPNFUAERH-QUCCMNQESA-N 0 0 450.457 4.700 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)NCCc1ccc(Br)s1 ZINC001464451592 1068751136 /nfs/dbraw/zinc/75/11/36/1068751136.db2.gz ZHQSPKWDNUSZJV-UHFFFAOYSA-N 0 0 459.203 4.985 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC(c2cccc(Cl)c2F)=NO1 ZINC001464453610 1068751929 /nfs/dbraw/zinc/75/19/29/1068751929.db2.gz KDCRUCSDBYORLS-DEOSSOPVSA-N 0 0 457.933 4.556 20 0 JJADRN COc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)ccc1C ZINC001464454130 1068751993 /nfs/dbraw/zinc/75/19/93/1068751993.db2.gz XDNCFZVIMPKOBD-UHFFFAOYSA-N 0 0 458.967 4.696 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC001464455061 1068752675 /nfs/dbraw/zinc/75/26/75/1068752675.db2.gz ZSBOXHILVCNCII-QHCPKHFHSA-N 0 0 454.014 4.776 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC001464455058 1068752684 /nfs/dbraw/zinc/75/26/84/1068752684.db2.gz ZSBOXHILVCNCII-HSZRJFAPSA-N 0 0 454.014 4.776 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1Br ZINC001464455321 1068752692 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455.769 4.893 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001464466241 1068756754 /nfs/dbraw/zinc/75/67/54/1068756754.db2.gz FPGJTZLAMGGNAQ-UHFFFAOYSA-N 0 0 450.493 4.588 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC001464468148 1068757252 /nfs/dbraw/zinc/75/72/52/1068757252.db2.gz NOIYKDKWQOFLCD-DNQXCXABSA-N 0 0 450.604 4.752 20 0 JJADRN CSc1ccc(S(=O)(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001464468824 1068757854 /nfs/dbraw/zinc/75/78/54/1068757854.db2.gz VPEXAFDWUNACKY-YLJYHZDGSA-N 0 0 461.049 4.520 20 0 JJADRN CC(C)Oc1ccc([C@H](C)NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1 ZINC001464469487 1068758299 /nfs/dbraw/zinc/75/82/99/1068758299.db2.gz AXWOWUWATHGHNX-SFHVURJKSA-N 0 0 450.608 4.987 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC001464470449 1068758956 /nfs/dbraw/zinc/75/89/56/1068758956.db2.gz VIKPQKZJFAYSGU-RSXGOPAZSA-N 0 0 451.542 4.891 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c(I)c1 ZINC001464476792 1068760227 /nfs/dbraw/zinc/76/02/27/1068760227.db2.gz UPXFHUCBGYRCNI-AWEZNQCLSA-N 0 0 455.723 4.801 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)s1 ZINC001464478648 1068760877 /nfs/dbraw/zinc/76/08/77/1068760877.db2.gz ZDBKRQJDQAOEMD-UHFFFAOYSA-N 0 0 452.551 4.763 20 0 JJADRN COc1c(N)c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc(Cl)c1Br ZINC001464479383 1068761321 /nfs/dbraw/zinc/76/13/21/1068761321.db2.gz IOCOQROKZIRTTF-ZDUSSCGKSA-N 0 0 455.736 4.503 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001464479584 1068761411 /nfs/dbraw/zinc/76/14/11/1068761411.db2.gz VMAQCZCEVBUYDE-UHFFFAOYSA-N 0 0 456.801 4.598 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC001464480701 1068761848 /nfs/dbraw/zinc/76/18/48/1068761848.db2.gz WLYAACZGMNTGMS-CQSZACIVSA-N 0 0 456.461 4.829 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)C)[nH]c3=O)cc2Cl)n1 ZINC001464488701 1068764214 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4.924 20 0 JJADRN CCN(C[C@@H]1CCOC1)C(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464516108 1068770642 /nfs/dbraw/zinc/77/06/42/1068770642.db2.gz WZXIAJQDEMHUCS-FQEVSTJZSA-N 0 0 450.579 4.580 20 0 JJADRN CCCCCCOCc1cccc(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)c1 ZINC001464519952 1068771157 /nfs/dbraw/zinc/77/11/57/1068771157.db2.gz IOLWEWPWMZSKMO-QFIPXVFZSA-N 0 0 452.551 4.546 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1F)C[C@@H]1CCCO1 ZINC001464521207 1068771778 /nfs/dbraw/zinc/77/17/78/1068771778.db2.gz IGRQFHWLSFXIAC-QFIPXVFZSA-N 0 0 456.558 4.771 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001464521242 1068771836 /nfs/dbraw/zinc/77/18/36/1068771836.db2.gz RVLYLOFYWDHWOP-SFHVURJKSA-N 0 0 459.518 4.754 20 0 JJADRN Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)Cc1ccc(F)cc1Br ZINC001464523460 1068772383 /nfs/dbraw/zinc/77/23/83/1068772383.db2.gz MZKXXEONWSJDGT-UHFFFAOYSA-N 0 0 455.374 4.640 20 0 JJADRN O=C(NCCc1cc(Br)ccc1F)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001464523429 1068772421 /nfs/dbraw/zinc/77/24/21/1068772421.db2.gz UVFFGSGLTRCASJ-UHFFFAOYSA-N 0 0 458.100 4.944 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC001464531495 1068774085 /nfs/dbraw/zinc/77/40/85/1068774085.db2.gz NHNYRRKRERJXPN-CYBMUJFWSA-N 0 0 451.333 4.788 20 0 JJADRN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cc(-c2ccc(Cl)s2)on1 ZINC001464531705 1068774322 /nfs/dbraw/zinc/77/43/22/1068774322.db2.gz WJUDKRVALWFCJC-UHFFFAOYSA-N 0 0 455.717 4.520 20 0 JJADRN CC(C)(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br)c1ccc(F)cc1 ZINC001464532635 1068774361 /nfs/dbraw/zinc/77/43/61/1068774361.db2.gz PYRWYAMGOINJHY-UHFFFAOYSA-N 0 0 456.255 4.700 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001464541441 1068776821 /nfs/dbraw/zinc/77/68/21/1068776821.db2.gz STCPYSXGFMGFTI-UHFFFAOYSA-N 0 0 454.577 4.873 20 0 JJADRN Cc1ccccc1CN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O ZINC001464540309 1068776863 /nfs/dbraw/zinc/77/68/63/1068776863.db2.gz BFSKJDKZLJRHID-UHFFFAOYSA-N 0 0 452.558 4.610 20 0 JJADRN Cc1cc(C(F)(F)C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cnc1Cl ZINC001464545512 1068777761 /nfs/dbraw/zinc/77/77/61/1068777761.db2.gz SSSCSSYPEYUDGX-QGZVFWFLSA-N 0 0 457.949 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccnc(-c3ccccc3)c2N)CC1 ZINC001464549800 1068778889 /nfs/dbraw/zinc/77/88/89/1068778889.db2.gz ZAYAAVCKAHQXFZ-NRFANRHFSA-N 0 0 450.583 4.583 20 0 JJADRN Cc1ccc2nc(CSCC(=O)Nc3ccc(C(=O)N4CCC[C@@H](C)C4)cc3C)cn2c1 ZINC001464549743 1068779003 /nfs/dbraw/zinc/77/90/03/1068779003.db2.gz XRYZHNLOVJKWSI-QGZVFWFLSA-N 0 0 450.608 4.695 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC001464551892 1068779548 /nfs/dbraw/zinc/77/95/48/1068779548.db2.gz XCFKYTIWAGEIMJ-RXVVDRJESA-N 0 0 456.583 4.668 20 0 JJADRN CC(C)c1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1Br ZINC001464554615 1068780149 /nfs/dbraw/zinc/78/01/49/1068780149.db2.gz HTCZPYOMLHBSSX-UHFFFAOYSA-N 0 0 453.340 4.751 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464553966 1068780169 /nfs/dbraw/zinc/78/01/69/1068780169.db2.gz WSKBBIWSZHYAGQ-XZOQPEGZSA-N 0 0 452.595 4.755 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC001464558368 1068781304 /nfs/dbraw/zinc/78/13/04/1068781304.db2.gz OCIOOPQFJHTJKL-VIIAAUOXSA-N 0 0 457.796 4.922 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001464560435 1068781785 /nfs/dbraw/zinc/78/17/85/1068781785.db2.gz LTYDQNRYXNRSBN-CYBMUJFWSA-N 0 0 451.436 4.812 20 0 JJADRN CC(=O)Nc1cc(NC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c(F)cc1F ZINC001464561956 1068782311 /nfs/dbraw/zinc/78/23/11/1068782311.db2.gz VEZJXJPTMXXRCC-UHFFFAOYSA-N 0 0 451.355 4.728 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1COc2ccc(Br)cc21 ZINC001464561775 1068782469 /nfs/dbraw/zinc/78/24/69/1068782469.db2.gz HUEIPTKDDOWHIU-LJQANCHMSA-N 0 0 458.356 4.972 20 0 JJADRN Cc1ccccc1-c1ccc(CN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)C(C)C)s1 ZINC001464563101 1068782924 /nfs/dbraw/zinc/78/29/24/1068782924.db2.gz KZOQKWCENRKFGG-UHFFFAOYSA-N 0 0 456.633 4.976 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC001464563580 1068782975 /nfs/dbraw/zinc/78/29/75/1068782975.db2.gz MCKPMWUGPCYRQD-QRQCRPRQSA-N 0 0 459.414 4.850 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)nc3)s2)CC1 ZINC001464564504 1068783757 /nfs/dbraw/zinc/78/37/57/1068783757.db2.gz GMNKVXALFFBWFL-UHFFFAOYSA-N 0 0 456.593 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001464570775 1068785611 /nfs/dbraw/zinc/78/56/11/1068785611.db2.gz RSEGGESOQBAKFE-HOCLYGCPSA-N 0 0 451.539 4.903 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)s1 ZINC001464569624 1068785682 /nfs/dbraw/zinc/78/56/82/1068785682.db2.gz TXPFBONPVPOAMI-QWRGUYRKSA-N 0 0 452.545 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001464570774 1068785770 /nfs/dbraw/zinc/78/57/70/1068785770.db2.gz RSEGGESOQBAKFE-GOEBONIOSA-N 0 0 451.539 4.903 20 0 JJADRN Cc1sc(Br)nc1C(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001464571200 1068786118 /nfs/dbraw/zinc/78/61/18/1068786118.db2.gz NJEOWMAITBEBRP-UONOGXRCSA-N 0 0 458.422 4.608 20 0 JJADRN CN(C)c1ccccc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464571195 1068786344 /nfs/dbraw/zinc/78/63/44/1068786344.db2.gz NHJPMFCMDPDYCF-LJQANCHMSA-N 0 0 451.489 4.654 20 0 JJADRN CCN(CCC(F)(F)F)C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001464573757 1068787354 /nfs/dbraw/zinc/78/73/54/1068787354.db2.gz FIJDIHBZNLFYGU-CYBMUJFWSA-N 0 0 456.427 4.731 20 0 JJADRN CCOc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C(C)C)cc1 ZINC001464574666 1068787665 /nfs/dbraw/zinc/78/76/65/1068787665.db2.gz JBTYFRIPTFGVAN-UHFFFAOYSA-N 0 0 458.502 4.526 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)C1 ZINC001464577917 1068789335 /nfs/dbraw/zinc/78/93/35/1068789335.db2.gz BHRKUZBHLRXSNE-MRXNPFEDSA-N 0 0 453.396 4.555 20 0 JJADRN C[C@H]1c2ccc(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)n2CCN1C(=O)OC(C)(C)C ZINC001464577576 1068789365 /nfs/dbraw/zinc/78/93/65/1068789365.db2.gz ZXPUDWFPLFAUOC-HNNXBMFYSA-N 0 0 455.946 4.891 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)cc1 ZINC001464579074 1068789823 /nfs/dbraw/zinc/78/98/23/1068789823.db2.gz HNQTZPXYEUBAEY-UHFFFAOYSA-N 0 0 450.897 4.557 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)Nc3ccc(Sc4nncn4C)c(Cl)c3)c12 ZINC001464581729 1068790985 /nfs/dbraw/zinc/79/09/85/1068790985.db2.gz NXILNTLPHWOPBC-UHFFFAOYSA-N 0 0 456.959 4.923 20 0 JJADRN Cn1cnnc1Sc1ccc(NC(=O)c2cc(F)c(F)cc2Br)cc1Cl ZINC001464582245 1068791000 /nfs/dbraw/zinc/79/10/00/1068791000.db2.gz PSYBGCDJOISQGZ-UHFFFAOYSA-N 0 0 459.703 4.913 20 0 JJADRN CCc1nn(C)cc1S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC001464584928 1068791480 /nfs/dbraw/zinc/79/14/80/1068791480.db2.gz KEFUTFAZRWRWIZ-UHFFFAOYSA-N 0 0 454.379 4.902 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 ZINC001464584103 1068791601 /nfs/dbraw/zinc/79/16/01/1068791601.db2.gz OOTYOYGEDABBRP-UHFFFAOYSA-N 0 0 459.590 4.713 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1)C(=O)OC(C)(C)C ZINC001464588136 1068791999 /nfs/dbraw/zinc/79/19/99/1068791999.db2.gz YOJGFYYMSVJQLC-INIZCTEOSA-N 0 0 451.610 4.847 20 0 JJADRN O=S(=O)(C[C@H]1CCC(F)(F)C1)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC001464587137 1068792013 /nfs/dbraw/zinc/79/20/13/1068792013.db2.gz GDCZTYZQTQIPQK-SWLSCSKDSA-N 0 0 450.345 4.550 20 0 JJADRN COC(=O)C1(S(=O)(=O)N(C)Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CCC1 ZINC001464585339 1068792123 /nfs/dbraw/zinc/79/21/23/1068792123.db2.gz LLURNFHQYFEQND-UHFFFAOYSA-N 0 0 458.363 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)co1 ZINC001464590007 1068792776 /nfs/dbraw/zinc/79/27/76/1068792776.db2.gz KHEDSEUUDPTPHH-IBGZPJMESA-N 0 0 458.946 4.854 20 0 JJADRN CCC1(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546148061 1068793234 /nfs/dbraw/zinc/79/32/34/1068793234.db2.gz DBZJDWWTEAKRQV-OAQYLSRUSA-N 0 0 482.673 4.928 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)c1cc(F)ccc1OC ZINC001464593349 1068793672 /nfs/dbraw/zinc/79/36/72/1068793672.db2.gz VHEUDLFFSINAHT-CQSZACIVSA-N 0 0 459.362 4.636 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)c2)cc1 ZINC001464594892 1068793716 /nfs/dbraw/zinc/79/37/16/1068793716.db2.gz IKMCCANUASTINJ-LJFZDNNRSA-N 0 0 458.624 4.934 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001464599954 1068795376 /nfs/dbraw/zinc/79/53/76/1068795376.db2.gz NUVWRYFQQBIGAP-HSZRJFAPSA-N 0 0 456.539 4.559 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)NCCOc3ccc(Br)cc3)cc21 ZINC001464601612 1068795799 /nfs/dbraw/zinc/79/57/99/1068795799.db2.gz ZFEQWMVXJBFHOT-UHFFFAOYSA-N 0 0 452.146 4.810 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001464600795 1068795872 /nfs/dbraw/zinc/79/58/72/1068795872.db2.gz VMNNANBRWPAIBW-QGZVFWFLSA-N 0 0 455.555 4.880 20 0 JJADRN CCS(=O)(=O)NCCCNC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC001464601234 1068795909 /nfs/dbraw/zinc/79/59/09/1068795909.db2.gz CJRDMVCHEUDPSG-ZCAIMPEWSA-N 0 0 450.689 4.567 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc(C(F)(F)F)c1 ZINC001464602379 1068796273 /nfs/dbraw/zinc/79/62/73/1068796273.db2.gz VFQGFUFGBGWZGQ-IBGZPJMESA-N 0 0 458.477 4.877 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC001464602886 1068796433 /nfs/dbraw/zinc/79/64/33/1068796433.db2.gz YBCCKVQZBCEIAC-CYBMUJFWSA-N 0 0 450.764 4.837 20 0 JJADRN Cc1c([C@@H](C)NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cnn1-c1ccc(F)cc1 ZINC001464606581 1068797410 /nfs/dbraw/zinc/79/74/10/1068797410.db2.gz ZHOZZLCGWZHEQI-WGDIFIGCSA-N 0 0 451.542 4.912 20 0 JJADRN Cc1c([C@H](C)NC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cnn1-c1ccc(F)cc1 ZINC001464606575 1068797440 /nfs/dbraw/zinc/79/74/40/1068797440.db2.gz ZHOZZLCGWZHEQI-QLXKLKPCSA-N 0 0 451.542 4.912 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1 ZINC001464605653 1068797620 /nfs/dbraw/zinc/79/76/20/1068797620.db2.gz AEFPTXBOTHUKFA-OAQYLSRUSA-N 0 0 458.436 4.833 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1O ZINC001464610196 1068797990 /nfs/dbraw/zinc/79/79/90/1068797990.db2.gz JBOXVFQQALIVNM-SFHVURJKSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1cnc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC001464617680 1068800740 /nfs/dbraw/zinc/80/07/40/1068800740.db2.gz WVAQIQRGNNYQLL-GOSISDBHSA-N 0 0 453.539 4.507 20 0 JJADRN O=S(=O)(NCC[C@H]1CCC2(CCC2)O1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001464616849 1068800979 /nfs/dbraw/zinc/80/09/79/1068800979.db2.gz FEQVDLRYGFSPJG-LJQANCHMSA-N 0 0 450.398 4.886 20 0 JJADRN CN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001464618855 1068801304 /nfs/dbraw/zinc/80/13/04/1068801304.db2.gz CLFCLELNUPUHPP-FQEVSTJZSA-N 0 0 458.415 4.693 20 0 JJADRN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001464619156 1068801526 /nfs/dbraw/zinc/80/15/26/1068801526.db2.gz GXCHQOCLKBVRPQ-CQSZACIVSA-N 0 0 455.477 4.524 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)cc1 ZINC001464622023 1068801848 /nfs/dbraw/zinc/80/18/48/1068801848.db2.gz PSNOZDNBAAMMEL-UHFFFAOYSA-N 0 0 454.596 4.882 20 0 JJADRN O=C(Nc1ccc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)cc1)c1ccco1 ZINC001464624385 1068801967 /nfs/dbraw/zinc/80/19/67/1068801967.db2.gz BPXOACVHFWJXBG-UHFFFAOYSA-N 0 0 455.392 4.735 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001464625715 1068802532 /nfs/dbraw/zinc/80/25/32/1068802532.db2.gz NCKYJTIYZRPVCL-UNMCSNQZSA-N 0 0 450.595 4.910 20 0 JJADRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC001464627903 1068802952 /nfs/dbraw/zinc/80/29/52/1068802952.db2.gz KUMYTFYCWNCGJS-JKSUJKDBSA-N 0 0 455.462 4.863 20 0 JJADRN CCCNC(=O)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3C)nc2-c2ccc(CC)cc2)C1 ZINC001464629519 1068803672 /nfs/dbraw/zinc/80/36/72/1068803672.db2.gz UOWIYDSLCYNTGZ-QHCPKHFHSA-N 0 0 458.606 4.789 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cs1 ZINC001464632156 1068804409 /nfs/dbraw/zinc/80/44/09/1068804409.db2.gz ZZIPMKNVGRFYLU-UKRRQHHQSA-N 0 0 455.502 4.515 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cccc(N=S(C)(C)=O)c1 ZINC001464632314 1068804756 /nfs/dbraw/zinc/80/47/56/1068804756.db2.gz RNHGTCKIZFNSGP-SFHVURJKSA-N 0 0 451.386 4.794 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001464634833 1068805307 /nfs/dbraw/zinc/80/53/07/1068805307.db2.gz CCUMVMXHHOPOAS-QGOAFFKASA-N 0 0 457.279 4.924 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001464633141 1068805398 /nfs/dbraw/zinc/80/53/98/1068805398.db2.gz WOACNGSWBGPZTH-HXUWFJFHSA-N 0 0 453.336 4.994 20 0 JJADRN O=S(=O)(NCc1c(Cl)cc(Br)cc1Cl)c1cnn(C2CCCC2)c1 ZINC001464634137 1068805679 /nfs/dbraw/zinc/80/56/79/1068805679.db2.gz UNHPXXYSUUJKTG-UHFFFAOYSA-N 0 0 453.189 4.546 20 0 JJADRN CCCC[C@H](NC(=O)c1snc(Cl)c1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464636240 1068806280 /nfs/dbraw/zinc/80/62/80/1068806280.db2.gz RHQABIYGXNRQEY-HNNXBMFYSA-N 0 0 455.411 4.977 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1NC(=O)Nc1ccccc1 ZINC001464634972 1068806323 /nfs/dbraw/zinc/80/63/23/1068806323.db2.gz FLRLTJYHBZRMSJ-HSZRJFAPSA-N 0 0 456.546 4.674 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464637097 1068806751 /nfs/dbraw/zinc/80/67/51/1068806751.db2.gz SPEPLQPFXBTHFQ-UHFFFAOYSA-N 0 0 459.562 4.740 20 0 JJADRN O=C(NCCN1Cc2ccccc2C1)c1ccc(COc2ccccc2Br)cc1 ZINC001464639522 1068807534 /nfs/dbraw/zinc/80/75/34/1068807534.db2.gz ZNIGMICIDSLXSD-UHFFFAOYSA-N 0 0 451.364 4.774 20 0 JJADRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Oc2ccc3scc(Br)c3c2)c1 ZINC001464644803 1068809256 /nfs/dbraw/zinc/80/92/56/1068809256.db2.gz YDFUXPPRHNGKSK-UHFFFAOYSA-N 0 0 455.351 4.835 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001464646666 1068810477 /nfs/dbraw/zinc/81/04/77/1068810477.db2.gz CFPVKBCCQMGFTR-IBGZPJMESA-N 0 0 454.018 4.711 20 0 JJADRN C[C@@H](CNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC001464652184 1068811933 /nfs/dbraw/zinc/81/19/33/1068811933.db2.gz CNPFMURTGZTJLW-OYHNWAKOSA-N 0 0 453.341 4.964 20 0 JJADRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464651325 1068812190 /nfs/dbraw/zinc/81/21/90/1068812190.db2.gz YJQCVDHYJPTUQK-KTBQNSCASA-N 0 0 452.599 4.923 20 0 JJADRN CCC[C@H](NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464652695 1068812543 /nfs/dbraw/zinc/81/25/43/1068812543.db2.gz DHZBDSYNARXGNO-QHCPKHFHSA-N 0 0 459.594 4.831 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC001464655009 1068813197 /nfs/dbraw/zinc/81/31/97/1068813197.db2.gz MRQBEMOQSWKJQG-UHFFFAOYSA-N 0 0 459.424 4.707 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)co2)cc1 ZINC001464654247 1068813254 /nfs/dbraw/zinc/81/32/54/1068813254.db2.gz QYOHTDSHPUDSFV-NRFANRHFSA-N 0 0 453.583 4.736 20 0 JJADRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)cc1Br ZINC001464659466 1068815062 /nfs/dbraw/zinc/81/50/62/1068815062.db2.gz RYRRJNITPRZZAH-YCRPNKLZSA-N 0 0 455.393 4.548 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccccc2-c2ccccc2)C(C)C)cc1 ZINC001464663993 1068816619 /nfs/dbraw/zinc/81/66/19/1068816619.db2.gz DICPDQMRACBIGL-VWLOTQADSA-N 0 0 450.604 4.624 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)[C@H]3C[C@]3(C)c3cccc(Br)c3)co2)cc1 ZINC001464669042 1068818308 /nfs/dbraw/zinc/81/83/08/1068818308.db2.gz MUJOBAJWHIHDCY-NFBKMPQASA-N 0 0 455.352 4.749 20 0 JJADRN Cc1cccc(O)c1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001464671254 1068818882 /nfs/dbraw/zinc/81/88/82/1068818882.db2.gz DKPIWAJEUKAYMT-UHFFFAOYSA-N 0 0 454.523 4.509 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001464673031 1068819673 /nfs/dbraw/zinc/81/96/73/1068819673.db2.gz FUYLXYSKUGWXRP-YLJYHZDGSA-N 0 0 455.603 4.507 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)C1 ZINC001464675878 1068821040 /nfs/dbraw/zinc/82/10/40/1068821040.db2.gz SREIZETZLBWTEP-VGOFRKELSA-N 0 0 459.562 4.907 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC001464678118 1068822105 /nfs/dbraw/zinc/82/21/05/1068822105.db2.gz VQWLUABLPSKULO-UHFFFAOYSA-N 0 0 451.405 4.588 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)C1 ZINC001464681854 1068822904 /nfs/dbraw/zinc/82/29/04/1068822904.db2.gz FOYMNGKXOPUWLN-SJLPKXTDSA-N 0 0 456.612 4.680 20 0 JJADRN COCC[C@@H](C)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001464687537 1068825543 /nfs/dbraw/zinc/82/55/43/1068825543.db2.gz JZUMVXIGLANLCU-WOJBJXKFSA-N 0 0 450.579 4.579 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC001464690713 1068826190 /nfs/dbraw/zinc/82/61/90/1068826190.db2.gz UEMOCJWOKPTIFA-UHFFFAOYSA-N 0 0 458.690 4.997 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001464689504 1068826315 /nfs/dbraw/zinc/82/63/15/1068826315.db2.gz XHINWJHYRFLJKX-GOSISDBHSA-N 0 0 452.555 4.626 20 0 JJADRN C[C@@H](CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001464694272 1068827317 /nfs/dbraw/zinc/82/73/17/1068827317.db2.gz YLNKYMCMQUQGKC-LBPRGKRZSA-N 0 0 452.292 4.571 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(OCc4ccccc4)cn3)C2)cc1 ZINC001464694183 1068827424 /nfs/dbraw/zinc/82/74/24/1068827424.db2.gz QOWLOHVNMYCUOO-JOCHJYFZSA-N 0 0 458.562 4.643 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001464693017 1068827521 /nfs/dbraw/zinc/82/75/21/1068827521.db2.gz HCCYRDDNIDDPAE-OALUTQOASA-N 0 0 452.661 4.772 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C/C=C\c3ccc(C(C)C)cc3)C2)cc1 ZINC001464698426 1068828391 /nfs/dbraw/zinc/82/83/91/1068828391.db2.gz BUAWMPBVHFDCRN-IUIUGSMNSA-N 0 0 454.636 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001464701992 1068829936 /nfs/dbraw/zinc/82/99/36/1068829936.db2.gz DNDHBCFKGXYEFS-YSIASYRMSA-N 0 0 472.561 4.665 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4nccc(Cl)c34)cc2)cc1 ZINC001464702285 1068830387 /nfs/dbraw/zinc/83/03/87/1068830387.db2.gz FSZNIMYVFIJJHS-UHFFFAOYSA-N 0 0 455.923 4.593 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)Nc3ccc(OC4CCCC4)nc3)cc2)CC1 ZINC001464703054 1068830405 /nfs/dbraw/zinc/83/04/05/1068830405.db2.gz JCANFMSBRZISKQ-UHFFFAOYSA-N 0 0 450.583 4.997 20 0 JJADRN C[C@H](CC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464705333 1068831435 /nfs/dbraw/zinc/83/14/35/1068831435.db2.gz LGWJJFSJROUJJT-MRXNPFEDSA-N 0 0 453.587 4.961 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001464705510 1068832167 /nfs/dbraw/zinc/83/21/67/1068832167.db2.gz QBCSKAUATBGUEC-NURJGKTBSA-N 0 0 456.867 4.859 20 0 JJADRN CCOc1cc(/C=C\C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)ccc1O ZINC001464712112 1068834477 /nfs/dbraw/zinc/83/44/77/1068834477.db2.gz WGQWUGQTPDZLKA-WCSRMQSCSA-N 0 0 453.516 4.639 20 0 JJADRN O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711262 1068834685 /nfs/dbraw/zinc/83/46/85/1068834685.db2.gz AGAYHMMMEAZWKA-AZGAKELHSA-N 0 0 452.957 4.836 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)ccc1Br ZINC001464711085 1068834799 /nfs/dbraw/zinc/83/47/99/1068834799.db2.gz QYOXJLNDGYLNOL-NRFANRHFSA-N 0 0 457.368 4.824 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl ZINC001464713738 1068835725 /nfs/dbraw/zinc/83/57/25/1068835725.db2.gz ZJWHOYJJYPDWGC-INIZCTEOSA-N 0 0 458.921 4.979 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N(C)Cc1cc(Br)ccc1F)O2 ZINC001464718033 1068836799 /nfs/dbraw/zinc/83/67/99/1068836799.db2.gz DRBXQIJQQWWVDK-JOCHJYFZSA-N 0 0 450.348 4.961 20 0 JJADRN CCCc1sc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1Br ZINC001464717505 1068836817 /nfs/dbraw/zinc/83/68/17/1068836817.db2.gz BGTIDNQGOZLGFU-UHFFFAOYSA-N 0 0 451.386 4.810 20 0 JJADRN CC[C@H](C(=O)N1CCC(Nc2ccccc2Cl)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001464719055 1068837457 /nfs/dbraw/zinc/83/74/57/1068837457.db2.gz OYEWFJNEPFRAJC-HXUWFJFHSA-N 0 0 459.381 4.701 20 0 JJADRN CC(C)(C)O[C@@H](C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001464719484 1068837509 /nfs/dbraw/zinc/83/75/09/1068837509.db2.gz HFVUVMNTQRKOLY-HSZRJFAPSA-N 0 0 452.576 4.660 20 0 JJADRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001464720742 1068837760 /nfs/dbraw/zinc/83/77/60/1068837760.db2.gz DKAYDCTVFNUXPW-UHFFFAOYSA-N 0 0 455.967 4.831 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC001464723002 1068837983 /nfs/dbraw/zinc/83/79/83/1068837983.db2.gz DHUOBRAMWLMYHW-CQSZACIVSA-N 0 0 457.404 4.866 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001464721988 1068838317 /nfs/dbraw/zinc/83/83/17/1068838317.db2.gz MBIHRMNQNYKCLH-GOSISDBHSA-N 0 0 452.345 4.658 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc2ccc(Cl)cc2n1 ZINC001464723642 1068839116 /nfs/dbraw/zinc/83/91/16/1068839116.db2.gz RJJHGGYKDHCALL-UHFFFAOYSA-N 0 0 451.935 4.619 20 0 JJADRN COc1ccc(N(CCC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000009125544 562955517 /nfs/dbraw/zinc/95/55/17/562955517.db2.gz GIWWZEAIVPDPQA-UHFFFAOYSA-N 0 0 456.539 4.675 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(C[C@H]3CCO)CC2)cc1 ZINC001164392354 718811343 /nfs/dbraw/zinc/81/13/43/718811343.db2.gz LPRWGKOKFLTFMW-QGZVFWFLSA-N 0 0 450.913 4.722 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407206 718859481 /nfs/dbraw/zinc/85/94/81/718859481.db2.gz XPFCUGGTDLVHQE-IRXDYDNUSA-N 0 0 456.880 4.523 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164417315 718890515 /nfs/dbraw/zinc/89/05/15/718890515.db2.gz JLQBNWROFPBZFV-ZDUSSCGKSA-N 0 0 457.706 4.576 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CCCO[C@H]2C1 ZINC001164421719 718899334 /nfs/dbraw/zinc/89/93/34/718899334.db2.gz RXNRGAWAWNEQKI-PBHICJAKSA-N 0 0 472.319 4.691 20 0 JJADRN FC1(F)CO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5cccs5)c43)C[C@@H]21 ZINC001164426312 718929585 /nfs/dbraw/zinc/92/95/85/718929585.db2.gz ZNYYWCVEFIIOJB-JKSUJKDBSA-N 0 0 462.591 4.876 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164428358 718953092 /nfs/dbraw/zinc/95/30/92/718953092.db2.gz KPGRBQNEIDMECK-QGZVFWFLSA-N 0 0 484.374 4.935 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164431008 718955143 /nfs/dbraw/zinc/95/51/43/718955143.db2.gz YUSLCASJCGHWCB-LJQANCHMSA-N 0 0 481.996 4.875 20 0 JJADRN CCOC(=O)[C@@]12C[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164621349 719042977 /nfs/dbraw/zinc/04/29/77/719042977.db2.gz IQNHYGFIZMNKCB-SCLBCKFNSA-N 0 0 461.818 4.893 20 0 JJADRN CN(C)C(=O)CO[C@@H]1CCC2(CCN(C(F)(F)c3cccnc3Cl)CC2)c2ccccc21 ZINC001164635877 719139513 /nfs/dbraw/zinc/13/95/13/719139513.db2.gz XIODFABUGFPBTF-HXUWFJFHSA-N 0 0 463.956 4.758 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C[C@@H]3O2)n1 ZINC001164638311 719262108 /nfs/dbraw/zinc/26/21/08/719262108.db2.gz OJNJOGUREYNARS-QEJZJMRPSA-N 0 0 458.340 4.684 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@H]3C2)c(Cl)n1 ZINC001164641138 719262204 /nfs/dbraw/zinc/26/22/04/719262204.db2.gz VQUWICKWZIBUKE-CCKFTAQKSA-N 0 0 480.943 4.727 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@H]3O2)n1 ZINC001164637648 719263328 /nfs/dbraw/zinc/26/33/28/719263328.db2.gz MFPAMVYFFQFJOZ-FHLIZLRMSA-N 0 0 481.931 4.642 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164646450 719287848 /nfs/dbraw/zinc/28/78/48/719287848.db2.gz NZGBVJWLXSGCCK-CDNPAEQRSA-N 0 0 494.064 4.989 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164649437 719287991 /nfs/dbraw/zinc/28/79/91/719287991.db2.gz WRECSGCCAMJCQH-NUEKZKHPSA-N 0 0 467.973 4.575 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c(Cl)n1 ZINC001164645221 719290055 /nfs/dbraw/zinc/29/00/55/719290055.db2.gz DRPNRIRFEOZHKI-JCURWCKSSA-N 0 0 469.941 4.757 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645546 719292618 /nfs/dbraw/zinc/29/26/18/719292618.db2.gz KGAVXBSAWUZFMJ-FHWLQOOXSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164647963 719293834 /nfs/dbraw/zinc/29/38/34/719293834.db2.gz TVYHOYOYGLNBOY-LMMKCTJWSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164647966 719294719 /nfs/dbraw/zinc/29/47/19/719294719.db2.gz FNCSJTUHICAACD-VSKRKVRLSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164646828 719294912 /nfs/dbraw/zinc/29/49/12/719294912.db2.gz BXTZZUKSIFOFTQ-XPNTWCBSSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164646324 719295149 /nfs/dbraw/zinc/29/51/49/719295149.db2.gz AGXKFYMGJWCBEE-GGPKGHCWSA-N 0 0 478.952 4.751 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c(Cl)nn1 ZINC001164652364 719295836 /nfs/dbraw/zinc/29/58/36/719295836.db2.gz MWQUHGOMSRGTMT-FKBYEOEOSA-N 0 0 490.913 4.829 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cccc5c(Cl)nc(Cl)nc54)C[C@@H]3O2)n1 ZINC001164656080 719299129 /nfs/dbraw/zinc/29/91/29/719299129.db2.gz VVGJACKKZIHPBE-SWHYSGLUSA-N 0 0 456.280 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3O2)n1 ZINC001164655641 719300898 /nfs/dbraw/zinc/30/08/98/719300898.db2.gz ULRNWMRKUFMDLV-FFZOFVMBSA-N 0 0 476.911 4.907 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5cccc(F)c5)nnc4Cl)C[C@H]3O2)n1 ZINC001164646321 719301543 /nfs/dbraw/zinc/30/15/43/719301543.db2.gz AGWHOEASKGOBGT-JEBQAFNWSA-N 0 0 465.863 4.529 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164646300 719301798 /nfs/dbraw/zinc/30/17/98/719301798.db2.gz ADRBZTGFVKKOAZ-BVGQSLNGSA-N 0 0 465.863 4.529 20 0 JJADRN CSCc1nc2sc3c(c2c(N2CCc4c(CN(C)C)nn(C(C)C)c4C2)n1)CCCC3 ZINC001164651333 719315009 /nfs/dbraw/zinc/31/50/09/719315009.db2.gz JCBWKWKCTZJFDB-UHFFFAOYSA-N 0 0 470.712 4.835 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164653354 719323359 /nfs/dbraw/zinc/32/33/59/719323359.db2.gz HSCLXPFBAKFVCE-UHFFFAOYSA-N 0 0 495.361 4.558 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H](NC(=O)CC4CC4)[C@H]4OCCC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164655953 719326697 /nfs/dbraw/zinc/32/66/97/719326697.db2.gz SAWITZPJCBWJAA-ZEYPLWLESA-N 0 0 490.982 4.550 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164660651 719343036 /nfs/dbraw/zinc/34/30/36/719343036.db2.gz JMHVREZMAHEZCE-FHWLQOOXSA-N 0 0 455.908 4.910 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164662651 719343788 /nfs/dbraw/zinc/34/37/88/719343788.db2.gz RITQXEVJKNDXFF-LQWHRVPQSA-N 0 0 464.944 4.680 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164664122 719345795 /nfs/dbraw/zinc/34/57/95/719345795.db2.gz RPYBFPPDHCVAEY-UHFFFAOYSA-N 0 0 457.956 4.975 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164663077 719348306 /nfs/dbraw/zinc/34/83/06/719348306.db2.gz CJIRLWYXXXEYFQ-UHFFFAOYSA-N 0 0 453.590 4.938 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1ccc(OC)c(Cl)n1)CC2 ZINC001164659977 719351325 /nfs/dbraw/zinc/35/13/25/719351325.db2.gz TVYGWBQFJWXVDF-UHFFFAOYSA-N 0 0 487.982 4.983 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164660675 719351354 /nfs/dbraw/zinc/35/13/54/719351354.db2.gz WUXFGKCEGIBTJJ-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164658111 719351512 /nfs/dbraw/zinc/35/15/12/719351512.db2.gz DNKXZUXWZVBSIQ-UHFFFAOYSA-N 0 0 453.590 4.938 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164658005 719351547 /nfs/dbraw/zinc/35/15/47/719351547.db2.gz AYRRDGVIQVTBBR-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164658600 719351694 /nfs/dbraw/zinc/35/16/94/719351694.db2.gz KJBGIIHXDZCZDJ-UHFFFAOYSA-N 0 0 456.619 4.900 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3cc1C(=O)OC)CC2 ZINC001164659858 719351941 /nfs/dbraw/zinc/35/19/41/719351941.db2.gz SGNIBTNJRFVFJT-UHFFFAOYSA-N 0 0 481.600 4.716 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164660698 719352251 /nfs/dbraw/zinc/35/22/51/719352251.db2.gz XOABPHCPXJVSPG-UHFFFAOYSA-N 0 0 491.043 4.755 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164660691 719352440 /nfs/dbraw/zinc/35/24/40/719352440.db2.gz XJPDZTRYPPWLAL-UHFFFAOYSA-N 0 0 496.615 4.972 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164659621 719353079 /nfs/dbraw/zinc/35/30/79/719353079.db2.gz RISQEGLNMPAFEE-UHFFFAOYSA-N 0 0 455.031 4.547 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164658381 719354871 /nfs/dbraw/zinc/35/48/71/719354871.db2.gz FUWLMAUWWQWCDI-UHFFFAOYSA-N 0 0 497.981 4.851 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164660493 719355444 /nfs/dbraw/zinc/35/54/44/719355444.db2.gz UJKRRBXXORXDCZ-UHFFFAOYSA-N 0 0 456.619 4.900 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164665387 719359631 /nfs/dbraw/zinc/35/96/31/719359631.db2.gz VVZBNRZWGQGOGG-UHFFFAOYSA-N 0 0 483.947 4.511 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164664202 719359860 /nfs/dbraw/zinc/35/98/60/719359860.db2.gz LWEJXSIJPAUHGX-UHFFFAOYSA-N 0 0 464.969 4.977 20 0 JJADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164664969 719359947 /nfs/dbraw/zinc/35/99/47/719359947.db2.gz TVQIHPPUKKFIMS-UHFFFAOYSA-N 0 0 491.995 4.886 20 0 JJADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164664450 719362386 /nfs/dbraw/zinc/36/23/86/719362386.db2.gz QXKLINGKOBPKHX-CQSZACIVSA-N 0 0 468.335 4.962 20 0 JJADRN CCOC[C@@H]1CN(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164663091 719363804 /nfs/dbraw/zinc/36/38/04/719363804.db2.gz IDIDBLCXASHGFS-FQEVSTJZSA-N 0 0 482.698 4.897 20 0 JJADRN CCOC[C@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)Cc2nn(CC3CC3)cc21 ZINC001164664844 719364184 /nfs/dbraw/zinc/36/41/84/719364184.db2.gz SYHRKYDKZFHETM-KOSHJBKYSA-N 0 0 471.964 4.671 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)cc1 ZINC001164674535 719505818 /nfs/dbraw/zinc/50/58/18/719505818.db2.gz ZEZKKBHOBYCFLH-UHFFFAOYSA-N 0 0 461.368 4.947 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)cc1 ZINC001164670095 719514471 /nfs/dbraw/zinc/51/44/71/719514471.db2.gz BCRFSIYDBNLZLM-UHFFFAOYSA-N 0 0 476.930 4.839 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(-c4ccc(Cl)nn4)ccc2F)CC3)cc1 ZINC001164677059 719525733 /nfs/dbraw/zinc/52/57/33/719525733.db2.gz BGZOKHOGEWLZIO-UHFFFAOYSA-N 0 0 470.951 4.947 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C1)N1CCCC1 ZINC001164677525 719544595 /nfs/dbraw/zinc/54/45/95/719544595.db2.gz DUWJASPZCINEFL-CZAAIQMYSA-N 0 0 479.930 4.692 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)cnc2Cl)c1 ZINC001164677048 719547328 /nfs/dbraw/zinc/54/73/28/719547328.db2.gz AZAWHIJZHHNVKL-STZQEDGTSA-N 0 0 475.967 4.862 20 0 JJADRN 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ZINC001164686926 719593775 /nfs/dbraw/zinc/59/37/75/719593775.db2.gz OYQZKMLKKXQSBH-UHFFFAOYSA-N 0 0 465.957 4.688 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cc(-c4ccco4)nnc2Cl)CC3)cs1 ZINC001164683664 719594388 /nfs/dbraw/zinc/59/43/88/719594388.db2.gz HJQQJZODUNKEMT-UHFFFAOYSA-N 0 0 493.967 4.861 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)N1Cc1cccnc1 ZINC001164690957 719767956 /nfs/dbraw/zinc/76/79/56/719767956.db2.gz JHXCIVVOMYLASG-SJORKVTESA-N 0 0 498.748 4.910 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)N1Cc1cccnc1 ZINC001164690677 719774914 /nfs/dbraw/zinc/77/49/14/719774914.db2.gz GWCORAKLTLWEAI-SFTDATJTSA-N 0 0 472.898 4.861 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)N1Cc1cccnc1 ZINC001164691385 719774940 /nfs/dbraw/zinc/77/49/40/719774940.db2.gz OHHWCQDOZKFGOM-PMACEKPBSA-N 0 0 470.907 4.602 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164695585 719788863 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GMRSXNXWKOZMNE-KRWDZBQOSA-N 0 0 489.954 4.627 20 0 JJADRN COC[C@@H]1CN(C(F)(F)c2cc(-c3ccc(C(C)C)cc3)nnc2Cl)Cc2cn(C)nc21 ZINC001164696238 719833705 /nfs/dbraw/zinc/83/37/05/719833705.db2.gz QRKWXKVJZSFBMK-SFHVURJKSA-N 0 0 461.944 4.949 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC2)CN1c1ccccc1 ZINC001164694594 719835981 /nfs/dbraw/zinc/83/59/81/719835981.db2.gz GVSJFZRVIKEHTN-UHFFFAOYSA-N 0 0 493.341 4.884 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC2)CN1c1ccccc1 ZINC001164697931 719836531 /nfs/dbraw/zinc/83/65/31/719836531.db2.gz ZXJFEKDEHOBUBS-UHFFFAOYSA-N 0 0 493.341 4.884 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC2)CN1c1ccccc1 ZINC001164696423 719836902 /nfs/dbraw/zinc/83/69/02/719836902.db2.gz TVCFNHGIVWZRLG-UHFFFAOYSA-N 0 0 457.908 4.836 20 0 JJADRN Cc1cc(C(F)(F)N2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)nc(Cl)n1 ZINC001164704883 719881065 /nfs/dbraw/zinc/88/10/65/719881065.db2.gz WWZVFTWNPFLDCU-UHFFFAOYSA-N 0 0 469.927 4.711 20 0 JJADRN Cn1cnc2c1cc(C1CCN([C@@H](F)Oc3cccc(Cl)n3)CC1)nc2-c1cccnc1 ZINC001164701418 719881083 /nfs/dbraw/zinc/88/10/83/719881083.db2.gz NOBVYOMNNJJTRG-HSZRJFAPSA-N 0 0 452.921 4.590 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)n1 ZINC001164700864 719881131 /nfs/dbraw/zinc/88/11/31/719881131.db2.gz MLGJDBDTAVYMAU-UHFFFAOYSA-N 0 0 469.927 4.711 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCOC[C@@]4(CC[C@H](Cn5cccn5)O4)C3)cnc2Cl)c1 ZINC001164808790 720052124 /nfs/dbraw/zinc/05/21/24/720052124.db2.gz ZCSYMVCWPOGZTA-NFBKMPQASA-N 0 0 492.929 4.737 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCOC[C@]4(CC[C@H](Cn5cccn5)O4)C3)cnc2Cl)cc1 ZINC001164808709 720052130 /nfs/dbraw/zinc/05/21/30/720052130.db2.gz YMFFVGZHJLNPBW-OFNKIYASSA-N 0 0 492.929 4.737 20 0 JJADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cc(-c4ccc(C(C)C)cc4)nnc2Cl)C3)n1 ZINC001164806968 720063601 /nfs/dbraw/zinc/06/36/01/720063601.db2.gz DRQCFZOUCSFPJG-VGOFRKELSA-N 0 0 475.927 4.561 20 0 JJADRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)cn1 ZINC001164710915 720077314 /nfs/dbraw/zinc/07/73/14/720077314.db2.gz KIIUDPGCBJKGKJ-RTWAWAEBSA-N 0 0 494.933 4.613 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4c3cnn(C)c3)c(Cl)nn2)cc1 ZINC001164709780 720077836 /nfs/dbraw/zinc/07/78/36/720077836.db2.gz FPKOHQGUHZPKLG-SFTDATJTSA-N 0 0 486.954 4.583 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2cnc(Cl)c(F)c2)CC3)c1 ZINC001164713814 720088211 /nfs/dbraw/zinc/08/82/11/720088211.db2.gz UTKVKHBEVTXXCL-UHFFFAOYSA-N 0 0 482.915 4.742 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2ccc(OC)c(Cl)n2)CC3)c1 ZINC001164709118 720088704 /nfs/dbraw/zinc/08/87/04/720088704.db2.gz BUXSGEBYDSIMFX-UHFFFAOYSA-N 0 0 494.951 4.611 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2ccc(C)c(Cl)n2)CC3)c1 ZINC001164710111 720089139 /nfs/dbraw/zinc/08/91/39/720089139.db2.gz HNDXJBHUQILLBK-UHFFFAOYSA-N 0 0 478.952 4.911 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)c3cccc(F)c3n2)cs1 ZINC001164816293 720252626 /nfs/dbraw/zinc/25/26/26/720252626.db2.gz HQBPWOMJFXZXQI-CVEARBPZSA-N 0 0 481.931 4.502 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)cs1 ZINC001164815191 720255745 /nfs/dbraw/zinc/25/57/45/720255745.db2.gz BQPJZZCEXOMPJD-ROUUACIJSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)cs1 ZINC001164817671 720259387 /nfs/dbraw/zinc/25/93/87/720259387.db2.gz SIWQHWXNGVUPTP-WOJBJXKFSA-N 0 0 489.979 4.877 20 0 JJADRN O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C1)N1CCCC1 ZINC001164817336 720267014 /nfs/dbraw/zinc/26/70/14/720267014.db2.gz CXMNZNNDMWJGAK-MRXNPFEDSA-N 0 0 489.929 4.541 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)cc1 ZINC001164818842 720283637 /nfs/dbraw/zinc/28/36/37/720283637.db2.gz NPTVMPRTKNAIMZ-QHCPKHFHSA-N 0 0 460.956 4.879 20 0 JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164721021 720316644 /nfs/dbraw/zinc/31/66/44/720316644.db2.gz CTFIIZCMWSJPCX-CQSZACIVSA-N 0 0 466.747 4.604 20 0 JJADRN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164724536 720325180 /nfs/dbraw/zinc/32/51/80/720325180.db2.gz KQRRRRORSABXIK-CEWLAPEOSA-N 0 0 486.003 4.559 20 0 JJADRN Cc1nc(CN2CCN(C)C3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164820639 720378802 /nfs/dbraw/zinc/37/88/02/720378802.db2.gz QIXKQVZERSEGBR-UHFFFAOYSA-N 0 0 497.668 4.980 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820782 720387715 /nfs/dbraw/zinc/38/77/15/720387715.db2.gz CGOXXVVRPOFWQS-QWFCFKBJSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821809 720389380 /nfs/dbraw/zinc/38/93/80/720389380.db2.gz ISVPWRAUJMPBCB-RCCFBDPRSA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821453 720389712 /nfs/dbraw/zinc/38/97/12/720389712.db2.gz GOTRCDYBZWURHZ-OTWHNJEPSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821449 720389848 /nfs/dbraw/zinc/38/98/48/720389848.db2.gz GOTRCDYBZWURHZ-IPMKNSEASA-N 0 0 466.941 4.546 20 0 JJADRN COc1ccc2nc(C(F)(F)N3C[C@H](OCc4csc(C)n4)[C@@H]4OCCC[C@@H]43)nc(Cl)c2c1 ZINC001164821544 720392192 /nfs/dbraw/zinc/39/21/92/720392192.db2.gz HQJIXXJIVOYCHX-GBESFXJTSA-N 0 0 496.967 4.555 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820385 720392455 /nfs/dbraw/zinc/39/24/55/720392455.db2.gz AGLPSBCXHZCBFC-YQVWRLOYSA-N 0 0 455.958 4.573 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)c(Cl)n1 ZINC001164824378 720394310 /nfs/dbraw/zinc/39/43/10/720394310.db2.gz RDGOXCCKJLNOJS-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821549 720395144 /nfs/dbraw/zinc/39/51/44/720395144.db2.gz HTNGRZFMXOKVCR-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164820947 720396215 /nfs/dbraw/zinc/39/62/15/720396215.db2.gz DFIYMAFUDFYZMQ-FQEVSTJZSA-N 0 0 454.899 4.906 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)O2)n1 ZINC001164831685 720405593 /nfs/dbraw/zinc/40/55/93/720405593.db2.gz XNJQAZGEQUYLSW-ZNMIVQPWSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)O2)n1 ZINC001164828763 720411796 /nfs/dbraw/zinc/41/17/96/720411796.db2.gz KUBORUSNGRRWMR-SQNIBIBYSA-N 0 0 465.863 4.671 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]21 ZINC001164828593 720423394 /nfs/dbraw/zinc/42/33/94/720423394.db2.gz YBMHOBZTCSRXQG-WWMYMODYSA-N 0 0 481.946 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@H]21 ZINC001164824371 720426759 /nfs/dbraw/zinc/42/67/59/720426759.db2.gz LBQLFRFFNLDUAJ-LQWHRVPQSA-N 0 0 470.004 4.941 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cnc(Cl)cc2Cl)C3)c1 ZINC001164731562 720491488 /nfs/dbraw/zinc/49/14/88/720491488.db2.gz WLWXEDLTJHZQJL-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164730207 720491506 /nfs/dbraw/zinc/49/15/06/720491506.db2.gz SUMVRFZODNISLB-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccc4c(Cl)ncnc42)C3)c1 ZINC001164730806 720494907 /nfs/dbraw/zinc/49/49/07/720494907.db2.gz VIYYDXARJGRHQM-HJPURHCSSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164724177 720495293 /nfs/dbraw/zinc/49/52/93/720495293.db2.gz FBKYTMBILWAHOT-IVZQSRNASA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc4c2CCC4)C3)c1 ZINC001164725819 720497452 /nfs/dbraw/zinc/49/74/52/720497452.db2.gz KMISIXDFCAOLHD-MWTRTKDXSA-N 0 0 481.946 4.632 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164727470 720498957 /nfs/dbraw/zinc/49/89/57/720498957.db2.gz NAXMVKWQLMLXHL-UWJYYQICSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164730761 720501350 /nfs/dbraw/zinc/50/13/50/720501350.db2.gz VGEKWLXSAOATQX-UTKZUKDTSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164833266 720501836 /nfs/dbraw/zinc/50/18/36/720501836.db2.gz CLIUGHGPCNAKMJ-ZENOOKHLSA-N 0 0 482.786 4.831 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@@H]21)N1CCCCC1 ZINC001164833287 720502496 /nfs/dbraw/zinc/50/24/96/720502496.db2.gz CSQVHVXYRCWGLN-CBQOVEMMSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164832364 720503195 /nfs/dbraw/zinc/50/31/95/720503195.db2.gz ADVUYPUMJVPVFH-VCOUNFBDSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]21)N1CCCCC1 ZINC001164839390 720503649 /nfs/dbraw/zinc/50/36/49/720503649.db2.gz TWGPUIKCCQVXED-FGSXEWAUSA-N 0 0 482.015 4.793 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733528 720537939 /nfs/dbraw/zinc/53/79/39/720537939.db2.gz CRRZTUUKMGBJBZ-AOMKIAJQSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734705 720541562 /nfs/dbraw/zinc/54/15/62/720541562.db2.gz KQNZYDVPLACHGI-OPAMFIHVSA-N 0 0 476.911 4.784 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735304 720541694 /nfs/dbraw/zinc/54/16/94/720541694.db2.gz OIXCAJIJUPOPFV-ZHRRBRCNSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735302 720542199 /nfs/dbraw/zinc/54/21/99/720542199.db2.gz OIXCAJIJUPOPFV-KSFYIVLOSA-N 0 0 460.912 4.678 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)Cc1ccccc12 ZINC001164842577 720744703 /nfs/dbraw/zinc/74/47/03/720744703.db2.gz FZVJCJXZQXIWDY-UHFFFAOYSA-N 0 0 498.961 4.951 20 0 JJADRN Cc1nc(Cl)cc(C(F)(F)N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)n1 ZINC001164845180 720745170 /nfs/dbraw/zinc/74/51/70/720745170.db2.gz WUJSMKNWUVJCET-UHFFFAOYSA-N 0 0 472.923 4.771 20 0 JJADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164844035 720746217 /nfs/dbraw/zinc/74/62/17/720746217.db2.gz OECBKYQCXGKERC-UHFFFAOYSA-N 0 0 499.974 4.820 20 0 JJADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)CCC[C@@]12CCC(=O)N2 ZINC001164846727 720751961 /nfs/dbraw/zinc/75/19/61/720751961.db2.gz JQDKZBGBSBDCRD-AUSIDOKSSA-N 0 0 473.955 4.861 20 0 JJADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)CCC[C@]12CCC(=O)N2 ZINC001164846729 720752376 /nfs/dbraw/zinc/75/23/76/720752376.db2.gz JQDKZBGBSBDCRD-CVDCTZTESA-N 0 0 473.955 4.861 20 0 JJADRN CC[C@H]1N(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CCC[C@]12CCC(=O)N2 ZINC001164849553 720753977 /nfs/dbraw/zinc/75/39/77/720753977.db2.gz UBNBAWBOSRBKEF-JPYJTQIMSA-N 0 0 477.939 4.761 20 0 JJADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164850484 720754927 /nfs/dbraw/zinc/75/49/27/720754927.db2.gz XALGPKNFSIXGSD-INXRYCJYSA-N 0 0 481.710 4.830 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848543 720766510 /nfs/dbraw/zinc/76/65/10/720766510.db2.gz PWRQMPXEJONPHE-NHCUHLMSSA-N 0 0 461.635 4.678 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)c2c1C ZINC001164848562 720766569 /nfs/dbraw/zinc/76/65/69/720766569.db2.gz PWRQMPXEJONPHE-SFTDATJTSA-N 0 0 461.635 4.678 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850497 720770416 /nfs/dbraw/zinc/77/04/16/720770416.db2.gz XETMSOUJJSJTKF-VDGAXYAQSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848781 720771230 /nfs/dbraw/zinc/77/12/30/720771230.db2.gz QOQXOHLZWNFVCR-YYWHXJBOSA-N 0 0 460.912 4.566 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)nc12 ZINC001164851221 720772552 /nfs/dbraw/zinc/77/25/52/720772552.db2.gz YXXSPJHKOFOQIQ-SNRMKQJTSA-N 0 0 478.902 4.705 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847842 720778050 /nfs/dbraw/zinc/77/80/50/720778050.db2.gz NQTNZCCJVUPJOZ-APWUFGDNSA-N 0 0 484.959 4.663 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847117 720778081 /nfs/dbraw/zinc/77/80/81/720778081.db2.gz KVLAKXWFFRQCME-VDGAXYAQSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749778 720806641 /nfs/dbraw/zinc/80/66/41/720806641.db2.gz UODUWPQINVOIDL-OALUTQOASA-N 0 0 492.357 4.732 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2=O)c1 ZINC001164851954 720806924 /nfs/dbraw/zinc/80/69/24/720806924.db2.gz LXLPOYPUMVDCLC-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)C2=O)c1 ZINC001164854681 720807016 /nfs/dbraw/zinc/80/70/16/720807016.db2.gz VHTBBGOALAHFCJ-NDEPHWFRSA-N 0 0 488.035 4.583 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164851931 720813556 /nfs/dbraw/zinc/81/35/56/720813556.db2.gz LVFDGJRJJLAMLV-OXJNMPFZSA-N 0 0 472.898 4.576 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164852410 720814585 /nfs/dbraw/zinc/81/45/85/720814585.db2.gz NPBHIGQWBWIRAO-NHCUHLMSSA-N 0 0 497.977 4.955 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)cnc2Cl)c1 ZINC001164849540 720823824 /nfs/dbraw/zinc/82/38/24/720823824.db2.gz QPFGWTOSCHPRAW-QHAWAJNXSA-N 0 0 477.939 4.546 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)CC1 ZINC001164860816 720894310 /nfs/dbraw/zinc/89/43/10/720894310.db2.gz VAFFJERCULLJLR-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)CC1 ZINC001164860951 720894827 /nfs/dbraw/zinc/89/48/27/720894827.db2.gz WPDWJGSTLWGSIR-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)CC1 ZINC001164859409 720894929 /nfs/dbraw/zinc/89/49/29/720894929.db2.gz QABLXWSFNYNJHR-UHFFFAOYSA-N 0 0 474.861 4.826 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164861773 720899330 /nfs/dbraw/zinc/89/93/30/720899330.db2.gz YRHKCFNPGDCCGK-IERDGZPVSA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1)c1ccccc1 ZINC001164863229 720899991 /nfs/dbraw/zinc/89/99/91/720899991.db2.gz XSRAHNCVCDJYIZ-CYFREDJKSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1)c1ccccc1 ZINC001164856807 720902564 /nfs/dbraw/zinc/90/25/64/720902564.db2.gz KWRLIWCTYIEQCX-PXDATVDWSA-N 0 0 498.961 4.900 20 0 JJADRN CC(C)CN1[C@@H]2CCN(C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164755536 720972182 /nfs/dbraw/zinc/97/21/82/720972182.db2.gz AEVWROMGBUEYDN-UXHICEINSA-N 0 0 478.058 4.542 20 0 JJADRN CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C[C@H]12 ZINC001164758240 721001876 /nfs/dbraw/zinc/00/18/76/721001876.db2.gz UIMCRUJVLQEKQE-XPGWFJOJSA-N 0 0 499.389 4.713 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164757965 721011748 /nfs/dbraw/zinc/01/17/48/721011748.db2.gz GUEWAESCAYJLMR-FHWLQOOXSA-N 0 0 463.937 4.824 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164759123 721026851 /nfs/dbraw/zinc/02/68/51/721026851.db2.gz KXLZDSGRUOACPD-PGRDOPGGSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164765957 721028242 /nfs/dbraw/zinc/02/82/42/721028242.db2.gz PWRSCCRFHSDKEO-AVRDEDQJSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]2C1=O ZINC001164856546 721028932 /nfs/dbraw/zinc/02/89/32/721028932.db2.gz AZIJHLAICAZVOF-LQWHRVPQSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]2C1=O ZINC001164859483 721029850 /nfs/dbraw/zinc/02/98/50/721029850.db2.gz INUWTWALXNQHBO-RBSFLKMASA-N 0 0 496.813 4.934 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164768691 721030836 /nfs/dbraw/zinc/03/08/36/721030836.db2.gz VOEVPVJUJLWAOJ-HTAPYJJXSA-N 0 0 476.911 4.675 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164861200 721033832 /nfs/dbraw/zinc/03/38/32/721033832.db2.gz FAMXSLXCNYVHAT-UHFFFAOYSA-N 0 0 472.902 4.590 20 0 JJADRN Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164767702 721040400 /nfs/dbraw/zinc/04/04/00/721040400.db2.gz SIMURMDTTHNMQK-WOJBJXKFSA-N 0 0 463.960 4.555 20 0 JJADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164767698 721040533 /nfs/dbraw/zinc/04/05/33/721040533.db2.gz SIMURMDTTHNMQK-VQTJNVASSA-N 0 0 463.960 4.555 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)[C@H]2COCc1ccccc1 ZINC001164760004 721047617 /nfs/dbraw/zinc/04/76/17/721047617.db2.gz TYMUQYDWVALJBN-KRWDZBQOSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@H]2COCc1ccccc1 ZINC001164768197 721048166 /nfs/dbraw/zinc/04/81/66/721048166.db2.gz IBQPHUAOPDWRQF-KRWDZBQOSA-N 0 0 490.967 4.822 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(SC)cnc1Cl)[C@@H]2COCc1ccccc1 ZINC001164767317 721049341 /nfs/dbraw/zinc/04/93/41/721049341.db2.gz GTMLDRGWYNWGRR-LJQANCHMSA-N 0 0 479.984 4.934 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)n1 ZINC001164765257 721053239 /nfs/dbraw/zinc/05/32/39/721053239.db2.gz COCMZZXSGPZRKM-SJORKVTESA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001164772469 721053272 /nfs/dbraw/zinc/05/32/72/721053272.db2.gz PBIVLPKWEZKNED-MSOLQXFVSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001164772475 721053382 /nfs/dbraw/zinc/05/33/82/721053382.db2.gz PBIVLPKWEZKNED-ZWKOTPCHSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)n1 ZINC001164770487 721057223 /nfs/dbraw/zinc/05/72/23/721057223.db2.gz KUUGBPOYHPKYTH-LEWJYISDSA-N 0 0 487.913 4.564 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164770920 721058473 /nfs/dbraw/zinc/05/84/73/721058473.db2.gz LHARJWJWCMCSDX-FDDCHVKYSA-N 0 0 477.939 4.785 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164873547 721219680 /nfs/dbraw/zinc/21/96/80/721219680.db2.gz RZWIFEUWVKCMEQ-UHFFFAOYSA-N 0 0 477.968 4.674 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]32)N=C1C ZINC001164875823 721233656 /nfs/dbraw/zinc/23/36/56/721233656.db2.gz XIIUWZJHUGEGJM-IGCHPXFFSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@H]32)N=C1C ZINC001164872178 721235198 /nfs/dbraw/zinc/23/51/98/721235198.db2.gz KSJICQNDGJPACI-LYHRCORUSA-N 0 0 473.955 4.516 20 0 JJADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164871747 721236657 /nfs/dbraw/zinc/23/66/57/721236657.db2.gz HTHCVDVEHLRNKD-UHFFFAOYSA-N 0 0 461.727 4.726 20 0 JJADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164874918 721240726 /nfs/dbraw/zinc/24/07/26/721240726.db2.gz URCMBFURJZZSCY-GFCCVEGCSA-N 0 0 451.880 4.672 20 0 JJADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164875862 721242565 /nfs/dbraw/zinc/24/25/65/721242565.db2.gz XUNLVGMVIKIWCM-GOSISDBHSA-N 0 0 492.693 4.870 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164879292 721248339 /nfs/dbraw/zinc/24/83/39/721248339.db2.gz XUNCSKNHSUZQCZ-MNEFBYGVSA-N 0 0 464.875 4.568 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164880115 721250771 /nfs/dbraw/zinc/25/07/71/721250771.db2.gz ZPNMNNJXJVGNNM-FCEUIQTBSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164873299 721251200 /nfs/dbraw/zinc/25/12/00/721251200.db2.gz HNBNIQIXJQJKAT-BPAFIMBUSA-N 0 0 462.884 4.535 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164879268 721251770 /nfs/dbraw/zinc/25/17/70/721251770.db2.gz XPPAGLFUBILNMQ-LTYHASHMSA-N 0 0 470.932 4.525 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164871901 721252152 /nfs/dbraw/zinc/25/21/52/721252152.db2.gz BUEAHCVTHUBAND-BVSLBCMMSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)O1)c1ccccc1 ZINC001164877425 721254113 /nfs/dbraw/zinc/25/41/13/721254113.db2.gz RJJXIHRVNCDQRN-DYESRHJHSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)O1)c1ccccc1 ZINC001164877845 721254491 /nfs/dbraw/zinc/25/44/91/721254491.db2.gz RTTZMWGQOAJMIF-UWJYYQICSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)O1)c1ccccc1 ZINC001164877117 721254549 /nfs/dbraw/zinc/25/45/49/721254549.db2.gz QCYZRJVZYDTZAX-LAUBAEHRSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)O1)c1ccccc1 ZINC001164873277 721258910 /nfs/dbraw/zinc/25/89/10/721258910.db2.gz HGXFBMYBCCGCCR-UUOWRZLLSA-N 0 0 486.950 4.776 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164765828 721273082 /nfs/dbraw/zinc/27/30/82/721273082.db2.gz LEYGEASAMDNWCP-CQSZACIVSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164769076 721276055 /nfs/dbraw/zinc/27/60/55/721276055.db2.gz OCYLZJLPVYWHQS-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164877844 721296415 /nfs/dbraw/zinc/29/64/15/721296415.db2.gz PCRNZOYXMGAGGL-UZLBHIALSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164875821 721298013 /nfs/dbraw/zinc/29/80/13/721298013.db2.gz GZTJMWBGZHBDGU-UZLBHIALSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]2C1 ZINC001164878351 721299973 /nfs/dbraw/zinc/29/99/73/721299973.db2.gz KVYKDHVZZKFAIV-DNVCBOLYSA-N 0 0 467.969 4.586 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164877765 721300108 /nfs/dbraw/zinc/30/01/08/721300108.db2.gz JRKDHDQDWZTZQT-IIBYNOLFSA-N 0 0 496.023 4.978 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC2)N1CC1CC1 ZINC001164775180 721306270 /nfs/dbraw/zinc/30/62/70/721306270.db2.gz RLWSTLSKQILKIL-UHFFFAOYSA-N 0 0 455.336 4.853 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC2)N1CC1CC1 ZINC001164775345 721306308 /nfs/dbraw/zinc/30/63/08/721306308.db2.gz WAFRBCHQQNPPPC-UHFFFAOYSA-N 0 0 455.336 4.853 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)CC2)N1CC1CC1 ZINC001164775335 721306330 /nfs/dbraw/zinc/30/63/30/721306330.db2.gz VTTDDSDIZVKYOI-UHFFFAOYSA-N 0 0 471.335 4.733 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC2)N1CC1CC1 ZINC001164775264 721306382 /nfs/dbraw/zinc/30/63/82/721306382.db2.gz UPWJSDIOOVXBPN-UHFFFAOYSA-N 0 0 455.336 4.853 20 0 JJADRN O=C1CCC2(CCN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)CC2)N1CC1CC1 ZINC001164775592 721306795 /nfs/dbraw/zinc/30/67/95/721306795.db2.gz GCGHCLGLVJOSFL-UHFFFAOYSA-N 0 0 479.694 4.537 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881978 721311610 /nfs/dbraw/zinc/31/16/10/721311610.db2.gz YWJJZCLOVVNADB-DOPJRALCSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880851 721311870 /nfs/dbraw/zinc/31/18/70/721311870.db2.gz SSPPZMQWUCEBRN-ZLGUVYLKSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880852 721313011 /nfs/dbraw/zinc/31/30/11/721313011.db2.gz SUCQJBLSOXUQPK-DOPJRALCSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164879026 721313591 /nfs/dbraw/zinc/31/35/91/721313591.db2.gz MKXIHNDZKTTWNN-BHIYHBOVSA-N 0 0 472.923 4.800 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164879520 721313999 /nfs/dbraw/zinc/31/39/99/721313999.db2.gz NEIKDSLPLVDOEP-YPAWHYETSA-N 0 0 493.677 4.752 20 0 JJADRN Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]32)nn1 ZINC001164777211 721314118 /nfs/dbraw/zinc/31/41/18/721314118.db2.gz RSFMFBSJAZEZQL-UXHICEINSA-N 0 0 463.960 4.520 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881095 721314820 /nfs/dbraw/zinc/31/48/20/721314820.db2.gz USLYWMLEFBIGSK-MAODMQOUSA-N 0 0 472.923 4.800 20 0 JJADRN Cc1ccc(N2CCO[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C[C@H]32)nn1 ZINC001164775893 721314813 /nfs/dbraw/zinc/31/48/13/721314813.db2.gz KYFWBFLYEFRIEA-UXHICEINSA-N 0 0 492.357 4.793 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164877214 721315939 /nfs/dbraw/zinc/31/59/39/721315939.db2.gz JYUUEMGJXTUUET-IPHXSNPTSA-N 0 0 490.913 4.939 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)cc1 ZINC001164778786 721316065 /nfs/dbraw/zinc/31/60/65/721316065.db2.gz RIDSZGMXMXARHD-UHFFFAOYSA-N 0 0 454.283 4.616 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164879901 721318352 /nfs/dbraw/zinc/31/83/52/721318352.db2.gz UIESSELFQMZGQM-FQEVSTJZSA-N 0 0 468.935 4.842 20 0 JJADRN CCN1CC[C@]2(CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2C)C1=O ZINC001164779467 721319065 /nfs/dbraw/zinc/31/90/65/721319065.db2.gz YGQPFUUUDGYBJO-MLCYQJTMSA-N 0 0 463.743 4.830 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164879407 721319160 /nfs/dbraw/zinc/31/91/60/721319160.db2.gz TUITVWRSYDUTTC-OAQYLSRUSA-N 0 0 468.935 4.842 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)n1 ZINC001164880779 721319289 /nfs/dbraw/zinc/31/92/89/721319289.db2.gz ZISAFPXVWCZKAF-HSZRJFAPSA-N 0 0 497.668 4.920 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c(Cl)nn2)c1 ZINC001164878854 721319716 /nfs/dbraw/zinc/31/97/16/721319716.db2.gz PYBUISCVDDINCP-OAQYLSRUSA-N 0 0 498.961 4.851 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164876480 721319825 /nfs/dbraw/zinc/31/98/25/721319825.db2.gz IDOUPOLTENFREQ-HXUWFJFHSA-N 0 0 486.925 4.981 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164874663 721319900 /nfs/dbraw/zinc/31/99/00/721319900.db2.gz DKUPVCPSHKTJGA-LJQANCHMSA-N 0 0 486.925 4.981 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164778237 721325355 /nfs/dbraw/zinc/32/53/55/721325355.db2.gz OILCBMIUEHMKES-CYBMUJFWSA-N 0 0 482.865 4.708 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164878148 721328634 /nfs/dbraw/zinc/32/86/34/721328634.db2.gz ZAUIRDBVRLGNSK-UHFFFAOYSA-N 0 0 481.931 4.556 20 0 JJADRN Cc1nc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)nc(Cl)c1C ZINC001164777656 721328800 /nfs/dbraw/zinc/32/88/00/721328800.db2.gz OZZGJYKGBPGKQY-UHFFFAOYSA-N 0 0 452.977 4.857 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)cs1 ZINC001164873881 721332657 /nfs/dbraw/zinc/33/26/57/721332657.db2.gz DCKGIRDSECEDTB-INIZCTEOSA-N 0 0 479.984 4.670 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)cs1 ZINC001164875484 721332684 /nfs/dbraw/zinc/33/26/84/721332684.db2.gz LGLIXZKWPMEAKK-MRXNPFEDSA-N 0 0 479.984 4.670 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164778453 721334375 /nfs/dbraw/zinc/33/43/75/721334375.db2.gz XCKLVPQNGIGTEV-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778767 721340538 /nfs/dbraw/zinc/34/05/38/721340538.db2.gz OLHRCPZVXMWKCS-NRFANRHFSA-N 0 0 497.999 4.613 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779432 721340556 /nfs/dbraw/zinc/34/05/56/721340556.db2.gz TUUUWKVPNJUHNC-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164889159 721341870 /nfs/dbraw/zinc/34/18/70/721341870.db2.gz YCMXMKFSYQGXRF-GHTZIAJQSA-N 0 0 470.347 4.598 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778771 721344815 /nfs/dbraw/zinc/34/48/15/721344815.db2.gz OLNUEAKEPWKUQZ-HSZRJFAPSA-N 0 0 476.408 4.660 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C2)C1 ZINC001164777839 721345162 /nfs/dbraw/zinc/34/51/62/721345162.db2.gz IRIOLBOQKRHHMV-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164884184 721353083 /nfs/dbraw/zinc/35/30/83/721353083.db2.gz MYGFKXJDUJSHTM-NZQKXSOJSA-N 0 0 498.961 4.628 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164886946 721353217 /nfs/dbraw/zinc/35/32/17/721353217.db2.gz UIXQITZZLYEUHG-NFBKMPQASA-N 0 0 498.961 4.628 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]2C1 ZINC001164881818 721353398 /nfs/dbraw/zinc/35/33/98/721353398.db2.gz BHOLFNKUQCGGAU-YLJYHZDGSA-N 0 0 489.975 4.986 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)N1c1ccsc1 ZINC001164882246 721355018 /nfs/dbraw/zinc/35/50/18/721355018.db2.gz IEADRHRLSKRWRS-LSDHHAIUSA-N 0 0 455.317 4.927 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882573 721359353 /nfs/dbraw/zinc/35/93/53/721359353.db2.gz JSRWBZSOOJQWJS-WOJBJXKFSA-N 0 0 475.643 4.866 20 0 JJADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164883445 721361225 /nfs/dbraw/zinc/36/12/25/721361225.db2.gz PWKDDSZZRINBMI-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781631 721369514 /nfs/dbraw/zinc/36/95/14/721369514.db2.gz KDLWCFSUMYVONP-HHHXNRCGSA-N 0 0 480.584 4.524 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccc(F)cc3)C2)C1 ZINC001164781633 721370104 /nfs/dbraw/zinc/37/01/04/721370104.db2.gz KDLWCFSUMYVONP-MHZLTWQESA-N 0 0 480.584 4.524 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787027 721375682 /nfs/dbraw/zinc/37/56/82/721375682.db2.gz WZGDDDIPISTQCN-HXUWFJFHSA-N 0 0 472.989 4.597 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164781773 721375712 /nfs/dbraw/zinc/37/57/12/721375712.db2.gz KCCVEWUJIZNAQW-JOCHJYFZSA-N 0 0 480.987 4.579 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C2)C1 ZINC001164788550 721376922 /nfs/dbraw/zinc/37/69/22/721376922.db2.gz ZUGFUIIBLDUQMI-QFIPXVFZSA-N 0 0 480.987 4.579 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780180 721382840 /nfs/dbraw/zinc/38/28/40/721382840.db2.gz FGTGCCBKVPYWQM-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164783073 721383374 /nfs/dbraw/zinc/38/33/74/721383374.db2.gz NLVRVCKAVNNMBN-JPYJTQIMSA-N 0 0 474.939 4.815 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)nc12 ZINC001164780718 721383714 /nfs/dbraw/zinc/38/37/14/721383714.db2.gz IGIBXWRUEFDZNO-HXOBKFHXSA-N 0 0 492.929 4.955 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164788530 721383891 /nfs/dbraw/zinc/38/38/91/721383891.db2.gz ZORJTVZMMXETKX-XXBNENTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786175 721384497 /nfs/dbraw/zinc/38/44/97/721384497.db2.gz UDSFDJMHDYHTSB-OXJNMPFZSA-N 0 0 458.336 4.921 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)nc(Cl)c2c1 ZINC001164781410 721384504 /nfs/dbraw/zinc/38/45/04/721384504.db2.gz JPMVGTDYKLZQIP-GAJHUEQPSA-N 0 0 492.929 4.955 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl ZINC001164782496 721384781 /nfs/dbraw/zinc/38/47/81/721384781.db2.gz MADSNEJWGHSYTG-UWJYYQICSA-N 0 0 469.985 4.989 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779672 721385929 /nfs/dbraw/zinc/38/59/29/721385929.db2.gz BZMRZMWWFKJWKO-XMSQKQJNSA-N 0 0 464.944 4.540 20 0 JJADRN FC(F)(N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164779335 721386806 /nfs/dbraw/zinc/38/68/06/721386806.db2.gz AJKZVROMPJIMPX-NZQKXSOJSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782161 721398986 /nfs/dbraw/zinc/39/89/86/721398986.db2.gz DTRBYNWHKUGVAS-TXEJJXNPSA-N 0 0 456.349 4.506 20 0 JJADRN c1csc(CN2C[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164781231 721433613 /nfs/dbraw/zinc/43/36/13/721433613.db2.gz CNKVQYFGIDUZAX-SFTDATJTSA-N 0 0 455.587 4.961 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164781857 721439199 /nfs/dbraw/zinc/43/91/99/721439199.db2.gz GYCZFNUUMXSGKX-IRXDYDNUSA-N 0 0 461.969 4.675 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164780459 721441703 /nfs/dbraw/zinc/44/17/03/721441703.db2.gz BACJPOAEVXRKFB-JOCHJYFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164785115 721442231 /nfs/dbraw/zinc/44/22/31/721442231.db2.gz RPSHCFDIMWUFKL-FQEVSTJZSA-N 0 0 459.928 4.606 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(C)nc(Cl)c2)CCO3)cs1 ZINC001164787424 721442888 /nfs/dbraw/zinc/44/28/88/721442888.db2.gz XAQJVYRHGIUELH-OXQOHEQNSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164785487 721443240 /nfs/dbraw/zinc/44/32/40/721443240.db2.gz RWNVNXVRULAHDF-UGSOOPFHSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164785481 721443367 /nfs/dbraw/zinc/44/33/67/721443367.db2.gz RWNVNXVRULAHDF-FZKQIMNGSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ncc2Cl)CCO3)cs1 ZINC001164785633 721443555 /nfs/dbraw/zinc/44/35/55/721443555.db2.gz SIJYJSXAHCDRDB-ACJLOTCBSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CCO3)cs1 ZINC001164780458 721444388 /nfs/dbraw/zinc/44/43/88/721444388.db2.gz AXGLMXFIBYFSCD-YCRPNKLZSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)ccc2C)CCO3)cs1 ZINC001164781508 721444605 /nfs/dbraw/zinc/44/46/05/721444605.db2.gz GBXVYXVDOPEFMM-OXQOHEQNSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(C4CC4)nnc2Cl)CCO3)cs1 ZINC001164780940 721445080 /nfs/dbraw/zinc/44/50/80/721445080.db2.gz DCKYCFMOPIIYHG-HRAATJIYSA-N 0 0 485.000 4.910 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)O1 ZINC001164885469 721459743 /nfs/dbraw/zinc/45/97/43/721459743.db2.gz DVJFNPRPEBFXLK-VSKRKVRLSA-N 0 0 498.961 4.758 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001164887101 721460098 /nfs/dbraw/zinc/46/00/98/721460098.db2.gz ISPIIRHYHIUWMI-FDFHNCONSA-N 0 0 490.982 4.728 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)c(Cl)nn2)cc1 ZINC001164887099 721460149 /nfs/dbraw/zinc/46/01/49/721460149.db2.gz ISPIIRHYHIUWMI-BHIFYINESA-N 0 0 490.982 4.728 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001164887103 721460183 /nfs/dbraw/zinc/46/01/83/721460183.db2.gz ISPIIRHYHIUWMI-FKBYEOEOSA-N 0 0 490.982 4.728 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1 ZINC001164884938 721460184 /nfs/dbraw/zinc/46/01/84/721460184.db2.gz CWAJKRCQPGFMDB-ZCNNSNEGSA-N 0 0 453.961 4.590 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)C2=O)cs1 ZINC001164890452 721461162 /nfs/dbraw/zinc/46/11/62/721461162.db2.gz SBGQWXYGTZDXHV-NRFANRHFSA-N 0 0 495.958 4.751 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)C2=O)cs1 ZINC001164891624 721461649 /nfs/dbraw/zinc/46/16/49/721461649.db2.gz VABQIWMSJHLLMI-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)Sc4ccc(Cl)nc4)C3)C2=O)cs1 ZINC001164889766 721461931 /nfs/dbraw/zinc/46/19/31/721461931.db2.gz IOJNKIPGTVYOTA-SFHVURJKSA-N 0 0 458.987 4.657 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)nc3-c3cn(C)c4ccccc34)CC[C@@H]21 ZINC001164891686 721464619 /nfs/dbraw/zinc/46/46/19/721464619.db2.gz NJDZVNNITZTVDY-JXFKEZNVSA-N 0 0 487.982 4.917 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)CC[C@H]21 ZINC001164894750 721468082 /nfs/dbraw/zinc/46/80/82/721468082.db2.gz YJGNHLLKNAKQNB-HNAYVOBHSA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164895038 721470288 /nfs/dbraw/zinc/47/02/88/721470288.db2.gz ZIEFDJLLBKBREF-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164789266 721474430 /nfs/dbraw/zinc/47/44/30/721474430.db2.gz MAPTUAJHSPIOBT-UHFFFAOYSA-N 0 0 481.938 4.956 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164892678 721475306 /nfs/dbraw/zinc/47/53/06/721475306.db2.gz HJJXQDUWFQGGAO-QHCPKHFHSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164893445 721475412 /nfs/dbraw/zinc/47/54/12/721475412.db2.gz IWLWLEDMWFQGKI-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001164892485 721476325 /nfs/dbraw/zinc/47/63/25/721476325.db2.gz GDYTYURXRIJXCF-IBGZPJMESA-N 0 0 474.861 4.855 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)Cc2cnn(C)c21 ZINC001164793844 721477051 /nfs/dbraw/zinc/47/70/51/721477051.db2.gz YQCVPVIWXCRTQA-MRXNPFEDSA-N 0 0 486.954 4.707 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)Cc2cnn(C)c21 ZINC001164793843 721477094 /nfs/dbraw/zinc/47/70/94/721477094.db2.gz YQCVPVIWXCRTQA-INIZCTEOSA-N 0 0 486.954 4.707 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)Cc2cnn(C)c21 ZINC001164791924 721478016 /nfs/dbraw/zinc/47/80/16/721478016.db2.gz KSENJYZVCLRWAD-SFHVURJKSA-N 0 0 462.928 4.733 20 0 JJADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)Cc2cnn(C)c21 ZINC001164793058 721478185 /nfs/dbraw/zinc/47/81/85/721478185.db2.gz RFLNBXANAMKISH-INIZCTEOSA-N 0 0 450.892 4.960 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164892677 721485599 /nfs/dbraw/zinc/48/55/99/721485599.db2.gz BDUZVPZBGATYHP-GBXCKJPGSA-N 0 0 475.967 4.624 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164792429 721486837 /nfs/dbraw/zinc/48/68/37/721486837.db2.gz IYTZXSOYFJCZOK-RBZFPXEDSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164793389 721486867 /nfs/dbraw/zinc/48/68/67/721486867.db2.gz RNGFXWUYILQHFQ-ODXCJYRJSA-N 0 0 485.293 4.547 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)cc1 ZINC001164793401 721488558 /nfs/dbraw/zinc/48/85/58/721488558.db2.gz RPMGGJXGKJKZKY-IVZQSRNASA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164895895 721488922 /nfs/dbraw/zinc/48/89/22/721488922.db2.gz NVWDNPZXUHESSG-LJQANCHMSA-N 0 0 475.967 4.991 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164898691 721491178 /nfs/dbraw/zinc/49/11/78/721491178.db2.gz HZCCTNXYKTWGJE-MRXNPFEDSA-N 0 0 467.988 4.593 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164897525 721500692 /nfs/dbraw/zinc/50/06/92/721500692.db2.gz NFGNYCIHHQTFAP-KRWDZBQOSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164897548 721500785 /nfs/dbraw/zinc/50/07/85/721500785.db2.gz NFGNYCIHHQTFAP-QGZVFWFLSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164895084 721501816 /nfs/dbraw/zinc/50/18/16/721501816.db2.gz AHYOZNFTIRRHEI-LJQANCHMSA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164895959 721502018 /nfs/dbraw/zinc/50/20/18/721502018.db2.gz FXMAKESKAPJHGT-SFHVURJKSA-N 0 0 485.000 4.551 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164895554 721502588 /nfs/dbraw/zinc/50/25/88/721502588.db2.gz CUJXJYCGOZINHI-FQEVSTJZSA-N 0 0 496.961 4.629 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(CCOC[C@@H]4NC(=O)C(C)C)CC3)c(Cl)nn2)c1 ZINC001164895267 721502593 /nfs/dbraw/zinc/50/25/93/721502593.db2.gz BLSAIIPKMDKIEU-NRFANRHFSA-N 0 0 492.998 4.798 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164899417 721503268 /nfs/dbraw/zinc/50/32/68/721503268.db2.gz YIVDOJWEEINWHC-MRXNPFEDSA-N 0 0 478.330 4.519 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164898781 721504072 /nfs/dbraw/zinc/50/40/72/721504072.db2.gz UZWBOFKZKPCKHL-HNNXBMFYSA-N 0 0 478.330 4.519 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@H]12 ZINC001164807169 721540719 /nfs/dbraw/zinc/54/07/19/721540719.db2.gz PWGDOIAASNJTGR-JQVVWYNYSA-N 0 0 463.632 4.683 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803171 721558449 /nfs/dbraw/zinc/55/84/49/721558449.db2.gz JQNAUHNWCXMKLH-XUVXKRRUSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800306 721564335 /nfs/dbraw/zinc/56/43/35/721564335.db2.gz DQPDYSSOHBBHLC-VIZSFHNOSA-N 0 0 485.966 4.605 20 0 JJADRN COc1ccc2c(Cl)cc(Cl)nc2c1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809386 721565552 /nfs/dbraw/zinc/56/55/52/721565552.db2.gz WVCZUNBXPIKQJJ-IMWIBFENSA-N 0 0 473.404 4.813 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164903916 721577897 /nfs/dbraw/zinc/57/78/97/721577897.db2.gz PDHUUCQXEQOEMT-KRWDZBQOSA-N 0 0 487.016 4.765 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164904389 721578015 /nfs/dbraw/zinc/57/80/15/721578015.db2.gz PVFPWQSXIKMQJM-NRFANRHFSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164902471 721578429 /nfs/dbraw/zinc/57/84/29/721578429.db2.gz FFEUSPSBNFPCKN-SFHVURJKSA-N 0 0 479.959 4.525 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164805616 721578560 /nfs/dbraw/zinc/57/85/60/721578560.db2.gz LGZOGKXAZKPJEO-FBLLAGFSSA-N 0 0 498.656 4.505 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809585 721578859 /nfs/dbraw/zinc/57/88/59/721578859.db2.gz UAJDLUYJNKAAJZ-WEWMWRJBSA-N 0 0 469.564 4.699 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164812301 721578946 /nfs/dbraw/zinc/57/89/46/721578946.db2.gz ZYPZHFDUFJUYMC-ZRCGQRJVSA-N 0 0 477.659 4.991 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164901812 721579833 /nfs/dbraw/zinc/57/98/33/721579833.db2.gz ATYSZNXXAWNGLL-HSZRJFAPSA-N 0 0 471.939 4.613 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)[C@H]2CCCO[C@H]12 ZINC001164805227 721580064 /nfs/dbraw/zinc/58/00/64/721580064.db2.gz LAVBXKMLYLPNIO-ZDXQCDESSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799261 721580229 /nfs/dbraw/zinc/58/02/29/721580229.db2.gz AFKSSLZHXKEGAP-SBHAEUEKSA-N 0 0 491.995 4.667 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808230 721585145 /nfs/dbraw/zinc/58/51/45/721585145.db2.gz QBYVVEGGOICOAJ-VSKRKVRLSA-N 0 0 458.940 4.696 20 0 JJADRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802609 721588302 /nfs/dbraw/zinc/58/83/02/721588302.db2.gz HBENBHQIVDRIJJ-ZNZIZOMTSA-N 0 0 478.040 4.601 20 0 JJADRN Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164802608 721588433 /nfs/dbraw/zinc/58/84/33/721588433.db2.gz HBENBHQIVDRIJJ-UODIDJSMSA-N 0 0 478.040 4.601 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]12 ZINC001164806257 721589954 /nfs/dbraw/zinc/58/99/54/721589954.db2.gz MPVHZIQOQZMZFN-FCEUIQTBSA-N 0 0 486.403 4.839 20 0 JJADRN CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164804087 721590146 /nfs/dbraw/zinc/59/01/46/721590146.db2.gz IHIHUWSFOHCISZ-OEMFJLHTSA-N 0 0 480.012 4.748 20 0 JJADRN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)n1 ZINC001164806230 721593125 /nfs/dbraw/zinc/59/31/25/721593125.db2.gz MMGJGSUYAQKFGK-KRWDZBQOSA-N 0 0 478.971 4.803 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)Oc2ccccc21 ZINC001164798566 721593266 /nfs/dbraw/zinc/59/32/66/721593266.db2.gz KCWRZZVSTQYDOL-HXOBKFHXSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)Oc2ccccc21 ZINC001164801371 721593324 /nfs/dbraw/zinc/59/33/24/721593324.db2.gz QNIHGKFJYKCZDN-MRXNPFEDSA-N 0 0 478.971 4.682 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)c(Cl)nn2)c1 ZINC001164797500 721600249 /nfs/dbraw/zinc/60/02/49/721600249.db2.gz BJKAVOKUITXFGB-UHFFFAOYSA-N 0 0 459.928 4.794 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)c(Cl)nn2)c1 ZINC001164802066 721600333 /nfs/dbraw/zinc/60/03/33/721600333.db2.gz QPVFMUWNDNDLBS-UHFFFAOYSA-N 0 0 463.891 4.624 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164798402 721600673 /nfs/dbraw/zinc/60/06/73/721600673.db2.gz FJZUKFIIWQILLH-ABYGYWHVSA-N 0 0 469.633 4.562 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)C3)c1 ZINC001164801519 721600700 /nfs/dbraw/zinc/60/07/00/721600700.db2.gz OQRXRXJXYWLFST-CVDCTZTESA-N 0 0 477.987 4.802 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)cnc1Cl ZINC001164801456 721600914 /nfs/dbraw/zinc/60/09/14/721600914.db2.gz OMKVPCIJZUWTDN-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)cnc1Cl ZINC001164801441 721600947 /nfs/dbraw/zinc/60/09/47/721600947.db2.gz OMKVPCIJZUWTDN-HTAPYJJXSA-N 0 0 465.928 4.593 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164804992 721601278 /nfs/dbraw/zinc/60/12/78/721601278.db2.gz ZEDPWKCYPGPHSS-OXJNMPFZSA-N 0 0 457.352 4.941 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)c1 ZINC001164804994 721601342 /nfs/dbraw/zinc/60/13/42/721601342.db2.gz ZEDPWKCYPGPHSS-UZLBHIALSA-N 0 0 457.352 4.941 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164805281 721601421 /nfs/dbraw/zinc/60/14/21/721601421.db2.gz ZPZAOHQBOJUQEK-WZONZLPQSA-N 0 0 479.955 4.983 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c1 ZINC001164798337 721601475 /nfs/dbraw/zinc/60/14/75/721601475.db2.gz DSRVDJPFTCHIKG-XMSQKQJNSA-N 0 0 465.928 4.593 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164805277 721601495 /nfs/dbraw/zinc/60/14/95/721601495.db2.gz ZPZAOHQBOJUQEK-JPYJTQIMSA-N 0 0 479.955 4.983 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164800024 721603995 /nfs/dbraw/zinc/60/39/95/721603995.db2.gz MISQAFOXINYYRA-QGZVFWFLSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164798501 721604043 /nfs/dbraw/zinc/60/40/43/721604043.db2.gz HBDMEDWMTLADEL-QGZVFWFLSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164800022 721604064 /nfs/dbraw/zinc/60/40/64/721604064.db2.gz MISQAFOXINYYRA-KRWDZBQOSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164804755 721604199 /nfs/dbraw/zinc/60/41/99/721604199.db2.gz YWHDBHPLXHENOV-QGZVFWFLSA-N 0 0 463.956 4.866 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164804852 721605449 /nfs/dbraw/zinc/60/54/49/721605449.db2.gz ZRTSGPSUFCEUJZ-GOSISDBHSA-N 0 0 490.725 4.736 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010365 721691261 /nfs/dbraw/zinc/69/12/61/721691261.db2.gz VVSPDCJYYTVJNR-NFHUAXAMSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010363 721691391 /nfs/dbraw/zinc/69/13/91/721691391.db2.gz VVSPDCJYYTVJNR-BIFSNJIPSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009031 721691799 /nfs/dbraw/zinc/69/17/99/721691799.db2.gz NHXKWHINLGNKAR-BIFSNJIPSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009170 721692564 /nfs/dbraw/zinc/69/25/64/721692564.db2.gz NVCGPEQGWSFZSB-ZFUCPZCZSA-N 0 0 476.955 4.955 20 0 JJADRN COCCN(C)c1nc(C2CCN([C@H](F)c3ccnc(Cl)c3)CC2)cc2c1ncn2C(C)C ZINC001165007907 721693341 /nfs/dbraw/zinc/69/33/41/721693341.db2.gz GSTRFLNONGSJML-QHCPKHFHSA-N 0 0 475.012 4.991 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)C2 ZINC001165009025 721713833 /nfs/dbraw/zinc/71/38/33/721713833.db2.gz NGGNPEVJCRTDOT-UHFFFAOYSA-N 0 0 479.679 4.751 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cccc(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909151 721739392 /nfs/dbraw/zinc/73/93/92/721739392.db2.gz COKVIRYMJZERFY-AUSIDOKSSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1nc(Cl)ncc1Cl)C[C@H]2c1ccccc1 ZINC001164910581 721739876 /nfs/dbraw/zinc/73/98/76/721739876.db2.gz GMWDENHLMLLVDU-JTSKRJEESA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1nc(Cl)ncc1Cl)C[C@H]2c1ccccc1 ZINC001164910580 721740193 /nfs/dbraw/zinc/74/01/93/721740193.db2.gz GMWDENHLMLLVDU-HTAPYJJXSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C[C@@H]2c1ccccc1 ZINC001164911808 721742432 /nfs/dbraw/zinc/74/24/32/721742432.db2.gz KMVUKYMONAWATK-CJFMBICVSA-N 0 0 495.961 4.586 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C[C@H]2c1ccccc1 ZINC001164913151 721742655 /nfs/dbraw/zinc/74/26/55/721742655.db2.gz UKRCWRVGKMLYMI-OFVILXPXSA-N 0 0 495.961 4.974 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164912233 721760809 /nfs/dbraw/zinc/76/08/09/721760809.db2.gz VWBHYIVPLDKMMR-UHFFFAOYSA-N 0 0 462.557 4.875 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc(SCc3ccccc3)n1)C2 ZINC001164911784 721763709 /nfs/dbraw/zinc/76/37/09/721763709.db2.gz RRIGQDGGABTFCK-UHFFFAOYSA-N 0 0 457.603 4.952 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164911440 721763727 /nfs/dbraw/zinc/76/37/27/721763727.db2.gz OXQAPSRGUGTKIU-UHFFFAOYSA-N 0 0 468.586 4.936 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164912271 721766721 /nfs/dbraw/zinc/76/67/21/721766721.db2.gz XAEYUTKJRALNRQ-UHFFFAOYSA-N 0 0 490.967 4.553 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)[C@@H]2C1 ZINC001165014859 721770675 /nfs/dbraw/zinc/77/06/75/721770675.db2.gz GIZUMYRWSWLIKD-IUODEOHRSA-N 0 0 467.303 4.816 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165018199 721772640 /nfs/dbraw/zinc/77/26/40/721772640.db2.gz UIIKPKZWMZPPNY-CTNGQTDRSA-N 0 0 487.629 4.754 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)[C@@H]2C1 ZINC001165018188 721772664 /nfs/dbraw/zinc/77/26/64/721772664.db2.gz UFJVJXHDZSJONJ-VQIMIIECSA-N 0 0 458.896 4.676 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(Cl)nn1 ZINC001165018980 721773503 /nfs/dbraw/zinc/77/35/03/721773503.db2.gz VGEGCXUXMJDXML-BEFAXECRSA-N 0 0 488.922 4.685 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001165016220 721773644 /nfs/dbraw/zinc/77/36/44/721773644.db2.gz OMOVYYOPQKXREB-UZLBHIALSA-N 0 0 488.922 4.685 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)[C@@H]2C1 ZINC001165021161 721773775 /nfs/dbraw/zinc/77/37/75/721773775.db2.gz ZUYHAZCDUUOZON-HNAYVOBHSA-N 0 0 476.886 4.815 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCCCn1cccn1 ZINC001165018622 721781050 /nfs/dbraw/zinc/78/10/50/721781050.db2.gz JLDVYZSNFGAUDC-QYZOEREBSA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165016835 721781092 /nfs/dbraw/zinc/78/10/92/721781092.db2.gz FAGDDSRWBSAJPB-OTWHNJEPSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165024612 721783613 /nfs/dbraw/zinc/78/36/13/721783613.db2.gz YDLXKCSANSUIIF-QHCPKHFHSA-N 0 0 469.923 4.760 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001165022906 721785037 /nfs/dbraw/zinc/78/50/37/721785037.db2.gz SENKANGWMSHUAI-XMMPIXPASA-N 0 0 499.949 4.672 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165019931 721790895 /nfs/dbraw/zinc/79/08/95/721790895.db2.gz KUKVLCFKWGLLQM-JQWIXIFHSA-N 0 0 484.721 4.629 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)cnc2Cl)c1 ZINC001165026606 721793766 /nfs/dbraw/zinc/79/37/66/721793766.db2.gz ZXBVYDQNONHWDE-UWJYYQICSA-N 0 0 454.908 4.750 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)c(Cl)nn2)cc1 ZINC001165019225 721793857 /nfs/dbraw/zinc/79/38/57/721793857.db2.gz KAHZFFKXCJRTNB-ICSRJNTNSA-N 0 0 483.950 4.960 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914572 721802319 /nfs/dbraw/zinc/80/23/19/721802319.db2.gz DGOPENHXJSDOIN-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164914773 721802612 /nfs/dbraw/zinc/80/26/12/721802612.db2.gz GAFRDFUXJDMOIV-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917339 721807649 /nfs/dbraw/zinc/80/76/49/721807649.db2.gz VCYJQRYQUTVGQW-IDISGSTGSA-N 0 0 487.629 4.632 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918268 721808000 /nfs/dbraw/zinc/80/80/00/721808000.db2.gz QEYOGEIZORFOBH-GAJHUEQPSA-N 0 0 488.922 4.562 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164917656 721808070 /nfs/dbraw/zinc/80/80/70/721808070.db2.gz OINRGXNSKDZXTR-AUSIDOKSSA-N 0 0 488.922 4.562 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919167 721808148 /nfs/dbraw/zinc/80/81/48/721808148.db2.gz WDCWRMJRLOIOGS-CVDCTZTESA-N 0 0 472.923 4.862 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917199 721809012 /nfs/dbraw/zinc/80/90/12/721809012.db2.gz LBRCGEDIAIAKIN-CJBNDPTMSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919591 721809455 /nfs/dbraw/zinc/80/94/55/721809455.db2.gz ZTZHYURRRULTKA-UXIGCNINSA-N 0 0 472.970 4.547 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)nc(Cl)c2c1 ZINC001164916271 721809762 /nfs/dbraw/zinc/80/97/62/721809762.db2.gz GGLNQFCSSUUOHS-XHBKTUGNSA-N 0 0 484.931 4.624 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164916844 721814231 /nfs/dbraw/zinc/81/42/31/721814231.db2.gz IKHZDUJHWAIRBG-UHFFFAOYSA-N 0 0 450.590 4.757 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164916620 721815311 /nfs/dbraw/zinc/81/53/11/721815311.db2.gz FNCXWYNHWYFSSB-UHFFFAOYSA-N 0 0 458.997 4.896 20 0 JJADRN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001164917048 721817700 /nfs/dbraw/zinc/81/77/00/721817700.db2.gz AWAFIXKMWBKDGK-UHFFFAOYSA-N 0 0 498.002 4.664 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164919977 721820211 /nfs/dbraw/zinc/82/02/11/721820211.db2.gz ZZXAHVQGZROUNO-UHFFFAOYSA-N 0 0 463.029 4.622 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164919041 721821186 /nfs/dbraw/zinc/82/11/86/721821186.db2.gz LBPACEARWFKVQI-UHFFFAOYSA-N 0 0 459.381 4.522 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)CC1 ZINC001164919478 721822290 /nfs/dbraw/zinc/82/22/90/721822290.db2.gz RQCVSIHCCRIOKK-UHFFFAOYSA-N 0 0 472.971 4.596 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)C(=O)Nc3c4cccc3F)c2c1C ZINC001165023821 721833048 /nfs/dbraw/zinc/83/30/48/721833048.db2.gz VNIAJBATUKJHGI-UHFFFAOYSA-N 0 0 465.598 4.533 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)C(=O)Nc2c3cccc2F)c(Cl)nn1 ZINC001165023236 721833428 /nfs/dbraw/zinc/83/34/28/721833428.db2.gz UOTYRCUUQXOALU-UHFFFAOYSA-N 0 0 488.897 4.980 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164923943 721836044 /nfs/dbraw/zinc/83/60/44/721836044.db2.gz LBGIJYAIHVSUCE-LHSJRXKWSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164922744 721836183 /nfs/dbraw/zinc/83/61/83/721836183.db2.gz IJHLWZSTFDUPLJ-QVKFZJNVSA-N 0 0 495.361 4.536 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921143 721839168 /nfs/dbraw/zinc/83/91/68/721839168.db2.gz CAUNLKBHNFDNDC-LHSJRXKWSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164920643 721839208 /nfs/dbraw/zinc/83/92/08/721839208.db2.gz ABPJVUVXTYAZEC-YCRPNKLZSA-N 0 0 481.330 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c(Cl)nn2)cc1 ZINC001164924740 721841057 /nfs/dbraw/zinc/84/10/57/721841057.db2.gz YTVDUKOYMVORDM-YADARESESA-N 0 0 486.950 4.715 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164922871 721841389 /nfs/dbraw/zinc/84/13/89/721841389.db2.gz RYLOCCFXOKUVDL-SBUREZEXSA-N 0 0 463.956 4.613 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[C@@H]3CCC(=O)N4C)n2)CC1 ZINC001164934933 721893280 /nfs/dbraw/zinc/89/32/80/721893280.db2.gz UMCROLHWDMDEFB-MOPGFXCFSA-N 0 0 481.691 4.851 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]21)NC1CCC1 ZINC001164930522 721895758 /nfs/dbraw/zinc/89/57/58/721895758.db2.gz BXHQUHBHXCLNPL-NYVOZVTQSA-N 0 0 475.967 4.847 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@H]21)NC1CCC1 ZINC001164934499 721895889 /nfs/dbraw/zinc/89/58/89/721895889.db2.gz QLHLYBJGBSZLBP-AUJRIZCKSA-N 0 0 484.374 4.987 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@@H]21)NC1CCC1 ZINC001164933434 721897475 /nfs/dbraw/zinc/89/74/75/721897475.db2.gz LZBDAXJCICTIAJ-BUVFEPMLSA-N 0 0 493.957 4.986 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164935343 721898046 /nfs/dbraw/zinc/89/80/46/721898046.db2.gz VQSPJAQWYAWGSG-LRXVAGHRSA-N 0 0 490.982 4.550 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H](CO[C@@H]4CC(=O)NC4CCC4)C3)c(Cl)nn2)c1 ZINC001164931590 721898054 /nfs/dbraw/zinc/89/80/54/721898054.db2.gz FGOVFATZRLVETC-SFGWALBWSA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164930066 721898929 /nfs/dbraw/zinc/89/89/29/721898929.db2.gz YSHIMGKWEIRHEU-XMMPIXPASA-N 0 0 495.917 4.843 20 0 JJADRN FC(F)(N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12)C1(c2ccc(Cl)nc2)CC1 ZINC001164927126 721899025 /nfs/dbraw/zinc/89/90/25/721899025.db2.gz GLVUFSGVCIQPSA-QHCPKHFHSA-N 0 0 468.935 4.990 20 0 JJADRN Cc1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164934957 721909256 /nfs/dbraw/zinc/90/92/56/721909256.db2.gz AAGOUSBHSBYWKG-UHFFFAOYSA-N 0 0 494.643 4.724 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2ccc(-c4ccc(C5CCCCC5)cc4)nn2)CC3)n1 ZINC001164935026 721909314 /nfs/dbraw/zinc/90/93/14/721909314.db2.gz DFWVMKRTCVPLBK-UHFFFAOYSA-N 0 0 486.664 4.796 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937614 721915368 /nfs/dbraw/zinc/91/53/68/721915368.db2.gz FGQWCWLBCHZKAJ-UHFFFAOYSA-N 0 0 498.752 4.987 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)c(Cl)n1 ZINC001165045127 721939968 /nfs/dbraw/zinc/93/99/68/721939968.db2.gz UQUXLCQQRXLYHM-UHFFFAOYSA-N 0 0 467.303 4.595 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C[C@@H]21 ZINC001164951621 721956484 /nfs/dbraw/zinc/95/64/84/721956484.db2.gz ZUZJBWRCQKPPIZ-RBUKOAKNSA-N 0 0 481.647 4.731 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@@H]21 ZINC001164945450 721960332 /nfs/dbraw/zinc/96/03/32/721960332.db2.gz MLJNAWLLIRPTFV-SVBPBHIXSA-N 0 0 481.600 4.813 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]12 ZINC001164942368 721965101 /nfs/dbraw/zinc/96/51/01/721965101.db2.gz BIVTZTKRZPXICO-NZQKXSOJSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]12 ZINC001164949975 721965519 /nfs/dbraw/zinc/96/55/19/721965519.db2.gz ZPATVJWPVJJWST-GGAORHGYSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@H]12 ZINC001164948243 721965632 /nfs/dbraw/zinc/96/56/32/721965632.db2.gz SLXDARZQAQRMCL-UWJYYQICSA-N 0 0 462.953 4.659 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@H]12 ZINC001164946345 721965645 /nfs/dbraw/zinc/96/56/45/721965645.db2.gz NQFMKEGUUXIZAD-WMZHIEFXSA-N 0 0 474.914 4.736 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@]4(c5ccccc5)CCN(C(C)=O)[C@H]4C3)nc(Cl)c2c1 ZINC001164948939 721967590 /nfs/dbraw/zinc/96/75/90/721967590.db2.gz VVLZSZQMJOYCNO-XUZZJYLKSA-N 0 0 486.950 4.606 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164950412 721981628 /nfs/dbraw/zinc/98/16/28/721981628.db2.gz SZPXQDLJRULONN-UHFFFAOYSA-N 0 0 498.414 4.547 20 0 JJADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001165048361 721982954 /nfs/dbraw/zinc/98/29/54/721982954.db2.gz UESGGBSQDBWVPG-UHFFFAOYSA-N 0 0 451.857 4.513 20 0 JJADRN CS(=O)(=O)c1cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)cnc1Cl ZINC001165050301 721989324 /nfs/dbraw/zinc/98/93/24/721989324.db2.gz BDSWMHPKQLVTNS-UHFFFAOYSA-N 0 0 457.955 4.677 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCCn4cnc(COc5cccnc5)c4C3)nc12 ZINC001164949207 721997966 /nfs/dbraw/zinc/99/79/66/721997966.db2.gz CLBFPJBRORVMMH-UHFFFAOYSA-N 0 0 474.874 4.548 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164951347 721998184 /nfs/dbraw/zinc/99/81/84/721998184.db2.gz MHAXGFCBLQZRIW-DEOSSOPVSA-N 0 0 480.931 4.505 20 0 JJADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164951348 721998428 /nfs/dbraw/zinc/99/84/28/721998428.db2.gz MHAXGFCBLQZRIW-XMMPIXPASA-N 0 0 480.931 4.505 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c(Cl)n1 ZINC001164953555 722004797 /nfs/dbraw/zinc/00/47/97/722004797.db2.gz REMRHRJOKJDIRG-CVEARBPZSA-N 0 0 472.923 4.633 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]21 ZINC001164952640 722005219 /nfs/dbraw/zinc/00/52/19/722005219.db2.gz OFGZBBPMPLJSAI-SJORKVTESA-N 0 0 478.934 4.914 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164954149 722006647 /nfs/dbraw/zinc/00/66/47/722006647.db2.gz WKUOWMKBZSKJEK-UHFFFAOYSA-N 0 0 456.928 4.678 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)cnc2Cl)c1 ZINC001165056335 722020906 /nfs/dbraw/zinc/02/09/06/722020906.db2.gz PNXYTEBEXONDSL-UHFFFAOYSA-N 0 0 458.940 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cc(C)nc(Cl)c2)C3)n1 ZINC001164957395 722025808 /nfs/dbraw/zinc/02/58/08/722025808.db2.gz BOGQNZNCHZHINW-UNMCSNQZSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)nc2Cl)C3)n1 ZINC001164962146 722025854 /nfs/dbraw/zinc/02/58/54/722025854.db2.gz QCOQXXUKFLMNNX-YLJYHZDGSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc(F)c(Cl)n2)C3)n1 ZINC001164964726 722025972 /nfs/dbraw/zinc/02/59/72/722025972.db2.gz XZZGUVOYEGRNSM-TZIWHRDSSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)c(F)c2)C3)n1 ZINC001164963350 722026490 /nfs/dbraw/zinc/02/64/90/722026490.db2.gz SJXVKEHASQPHBA-FPOVZHCZSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)n1 ZINC001164962719 722026871 /nfs/dbraw/zinc/02/68/71/722026871.db2.gz RMJOHDAIRIDHGK-REWPJTCUSA-N 0 0 489.954 4.519 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)nc1Cl ZINC001164963396 722026915 /nfs/dbraw/zinc/02/69/15/722026915.db2.gz SSBWXZDFTOWLIS-IRLDBZIGSA-N 0 0 467.944 4.584 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)nc1Cl ZINC001164963398 722026934 /nfs/dbraw/zinc/02/69/34/722026934.db2.gz SSBWXZDFTOWLIS-RBBKRZOGSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164961459 722027231 /nfs/dbraw/zinc/02/72/31/722027231.db2.gz OBPQOWSXSVNGBW-DYESRHJHSA-N 0 0 487.378 4.710 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)n1 ZINC001164965000 722027457 /nfs/dbraw/zinc/02/74/57/722027457.db2.gz YUWLPYHNYCBBIZ-JTHBVZDNSA-N 0 0 478.971 4.848 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164962496 722029233 /nfs/dbraw/zinc/02/92/33/722029233.db2.gz XRJVNNIURIZTSG-SQGPQFPESA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164956732 722029665 /nfs/dbraw/zinc/02/96/65/722029665.db2.gz IPBCTNDZOOCPGR-VAMGGRTRSA-N 0 0 476.886 4.691 20 0 JJADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164962453 722033243 /nfs/dbraw/zinc/03/32/43/722033243.db2.gz XPHKHFOJXUFCGA-XUZZJYLKSA-N 0 0 468.935 4.875 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164962410 722034405 /nfs/dbraw/zinc/03/44/05/722034405.db2.gz XJFKKDMJNLDKRD-ACJLOTCBSA-N 0 0 461.727 4.515 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)cnc2Cl)c1 ZINC001164957446 722035648 /nfs/dbraw/zinc/03/56/48/722035648.db2.gz MALIDHFYAVVDMR-DHLKQENFSA-N 0 0 498.961 4.883 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3O2)n1 ZINC001164964375 722041156 /nfs/dbraw/zinc/04/11/56/722041156.db2.gz UTUQZMWPJGZVQW-BNLOLNQZSA-N 0 0 455.292 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]3O2)n1 ZINC001164960101 722042274 /nfs/dbraw/zinc/04/22/74/722042274.db2.gz JADWNWGYPYPFPM-UCLAIMLFSA-N 0 0 464.875 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3O2)n1 ZINC001164960440 722043364 /nfs/dbraw/zinc/04/33/64/722043364.db2.gz KTEVCEDYFHTSLR-DUVNUKRYSA-N 0 0 452.914 4.536 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164965428 722043856 /nfs/dbraw/zinc/04/38/56/722043856.db2.gz YNRJJLSAVHDQQN-VWLOTQADSA-N 0 0 480.037 4.649 20 0 JJADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958179 722049488 /nfs/dbraw/zinc/04/94/88/722049488.db2.gz MEIUVUMNHQSGBK-UHFFFAOYSA-N 0 0 476.318 4.817 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1Cl ZINC001164956585 722049657 /nfs/dbraw/zinc/04/96/57/722049657.db2.gz BETUJJBOANLQDW-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)ncc2Cl)[C@@H]3C)c1 ZINC001164965105 722062968 /nfs/dbraw/zinc/06/29/68/722062968.db2.gz IRDGLWWHLOEFEW-CYBMUJFWSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)ncc2F)[C@H]3C)c1 ZINC001164965182 722062987 /nfs/dbraw/zinc/06/29/87/722062987.db2.gz JGCAEOZZRBPQOG-AWEZNQCLSA-N 0 0 451.880 4.617 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)[C@H]3C)c1 ZINC001164963014 722063367 /nfs/dbraw/zinc/06/33/67/722063367.db2.gz ASPAZMQXSSMQCV-HNNXBMFYSA-N 0 0 474.943 4.750 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc4c2CCC4)[C@@H]3C)c1 ZINC001164965260 722063713 /nfs/dbraw/zinc/06/37/13/722063713.db2.gz JVCJEFVRCHJDPE-MRXNPFEDSA-N 0 0 473.955 4.967 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164966065 722064825 /nfs/dbraw/zinc/06/48/25/722064825.db2.gz NSWGRUNFTBLDSB-RTBURBONSA-N 0 0 476.936 4.777 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164966695 722065373 /nfs/dbraw/zinc/06/53/73/722065373.db2.gz WSJIUGCUSQDQKL-WOJBJXKFSA-N 0 0 490.963 4.809 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164966655 722065560 /nfs/dbraw/zinc/06/55/60/722065560.db2.gz WMCPQICXBPCINP-QZTJIDSGSA-N 0 0 476.936 4.777 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)CC[C@@H]21 ZINC001164968658 722081473 /nfs/dbraw/zinc/08/14/73/722081473.db2.gz CYTXXOLRDKWTMC-QRFRQXIXSA-N 0 0 491.995 4.721 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164970208 722082150 /nfs/dbraw/zinc/08/21/50/722082150.db2.gz OJIMLMQOUMCCLC-CTNGQTDRSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968409 722082305 /nfs/dbraw/zinc/08/23/05/722082305.db2.gz CDYLBMBRQOQFEL-IRLDBZIGSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164970557 722082658 /nfs/dbraw/zinc/08/26/58/722082658.db2.gz YVSITTLDHNDLSH-TZIWHRDSSA-N 0 0 479.930 4.550 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@H]2C1 ZINC001164976803 722084945 /nfs/dbraw/zinc/08/49/45/722084945.db2.gz WWXXOPRUASMAGY-CLLJXQQHSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2C1 ZINC001164974127 722085079 /nfs/dbraw/zinc/08/50/79/722085079.db2.gz PBPMKHSIEKASQH-REPLKXPHSA-N 0 0 461.940 4.958 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@H]2C1 ZINC001164971504 722085114 /nfs/dbraw/zinc/08/51/14/722085114.db2.gz IYYIMJRBDFEFJN-CLLJXQQHSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164970704 722085531 /nfs/dbraw/zinc/08/55/31/722085531.db2.gz FZGPOABPGNXSAE-WOJBJXKFSA-N 0 0 493.721 4.687 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164978449 722086119 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LOOKPMROQJKHJX-MUUNZHRXSA-N 0 0 487.673 4.681 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c(Cl)nn2)cc1 ZINC001164980586 722162957 /nfs/dbraw/zinc/16/29/57/722162957.db2.gz NPWKBNOYSNLCHR-HSZRJFAPSA-N 0 0 454.908 4.775 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164980980 722165289 /nfs/dbraw/zinc/16/52/89/722165289.db2.gz ZLRCQUFVCKLMGV-DYESRHJHSA-N 0 0 452.933 4.558 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164982561 722165323 /nfs/dbraw/zinc/16/53/23/722165323.db2.gz WNIKWZFWYVKSGH-HRAATJIYSA-N 0 0 452.933 4.558 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)c2c1C ZINC001164974593 722171366 /nfs/dbraw/zinc/17/13/66/722171366.db2.gz GGWWNQOKTRAANV-MVERNJQCSA-N 0 0 490.673 4.842 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)cnc1Cl ZINC001164977963 722171900 /nfs/dbraw/zinc/17/19/00/722171900.db2.gz OLCSHUSHJLCAKE-SVFBPWRDSA-N 0 0 482.980 4.775 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)cnc1Cl ZINC001164977961 722172109 /nfs/dbraw/zinc/17/21/09/722172109.db2.gz OLCSHUSHJLCAKE-SFHLNBCPSA-N 0 0 482.980 4.775 20 0 JJADRN COc1cccc2c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)cc(Cl)nc12 ZINC001164988015 722174164 /nfs/dbraw/zinc/17/41/64/722174164.db2.gz QGPNPSJKZIERFV-QUCCMNQESA-N 0 0 459.015 4.532 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164984906 722174364 /nfs/dbraw/zinc/17/43/64/722174364.db2.gz GTVXDMOVMXTREE-OALUTQOASA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)CC[C@@H]32)cs1 ZINC001164984486 722178403 /nfs/dbraw/zinc/17/84/03/722178403.db2.gz FAAZEXGJPPPTFP-ZWKOTPCHSA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(Cl)cc5nc4Cl)CC[C@@H]32)cs1 ZINC001164990935 722179563 /nfs/dbraw/zinc/17/95/63/722179563.db2.gz WURDQDWOFYSMTK-OALUTQOASA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc5nc(Cl)cnc5cc4Cl)CC[C@H]32)cs1 ZINC001164989993 722180423 /nfs/dbraw/zinc/18/04/23/722180423.db2.gz NEHFNJGZFGKSJP-QUCCMNQESA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@H]32)cs1 ZINC001164993100 722181071 /nfs/dbraw/zinc/18/10/71/722181071.db2.gz UXVFVAZPIIWOSD-JWQCQUIFSA-N 0 0 471.630 4.932 20 0 JJADRN CSc1ccc(Oc2cc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)ncn2)cc1 ZINC001164987409 722184557 /nfs/dbraw/zinc/18/45/57/722184557.db2.gz HSVJJUUSFMIBSY-FGZHOGPDSA-N 0 0 483.663 4.626 20 0 JJADRN CCCCOc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(Cl)c1 ZINC001164992891 722184605 /nfs/dbraw/zinc/18/46/05/722184605.db2.gz XRCADDXCWITQIP-LEWJYISDSA-N 0 0 451.036 4.549 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccsc5)nc5ccccc54)CC[C@H]32)cs1 ZINC001164985714 722185299 /nfs/dbraw/zinc/18/52/99/722185299.db2.gz CBWMTOHMQAKDQR-DHIUTWEWSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)CC[C@H]32)cs1 ZINC001164986992 722185318 /nfs/dbraw/zinc/18/53/18/722185318.db2.gz HWCUYUWYBNCMLN-CTNGQTDRSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)CC[C@@H]32)cs1 ZINC001164988172 722185629 /nfs/dbraw/zinc/18/56/29/722185629.db2.gz MKXDIDCGKCPLBQ-PMACEKPBSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)ccc4-c4ccc(Cl)nn4)CC[C@H]32)cs1 ZINC001164986088 722185742 /nfs/dbraw/zinc/18/57/42/722185742.db2.gz DCUYQBZTVDFZCU-IFMALSPDSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(Cl)ccc5c(Cl)ncnc54)CC[C@@H]32)cs1 ZINC001164991332 722186674 /nfs/dbraw/zinc/18/66/74/722186674.db2.gz SZSLYAPKQJWSJX-ZWKOTPCHSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)CC[C@H]32)cs1 ZINC001164986837 722186780 /nfs/dbraw/zinc/18/67/80/722186780.db2.gz HNFBSWKLOFWKAY-WOJBJXKFSA-N 0 0 469.001 4.792 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]12 ZINC001164992601 722187214 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KOWXKRDWXNHZFG-RYGJVYDSSA-N 0 0 467.919 4.594 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164998005 722220919 /nfs/dbraw/zinc/22/09/19/722220919.db2.gz GEZVKPDYRCWAKH-KRWDZBQOSA-N 0 0 467.347 4.908 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c(Cl)n1 ZINC001165000815 722221372 /nfs/dbraw/zinc/22/13/72/722221372.db2.gz ZKRYUHDGVZVABY-FQEVSTJZSA-N 0 0 461.940 4.869 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001165000043 722225682 /nfs/dbraw/zinc/22/56/82/722225682.db2.gz PKRXRSOJFKXJAO-PKTZIBPZSA-N 0 0 490.982 4.842 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)n1 ZINC001165000579 722226698 /nfs/dbraw/zinc/22/66/98/722226698.db2.gz UICWQDWIJJMHIY-OAHLLOKOSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)n1 ZINC001165000165 722227569 /nfs/dbraw/zinc/22/75/69/722227569.db2.gz RKDDUJRTMCHQRG-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001165000766 722247971 /nfs/dbraw/zinc/24/79/71/722247971.db2.gz KQNKJJCDUZJGHV-UHFFFAOYSA-N 0 0 455.852 4.631 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001165001183 722247977 /nfs/dbraw/zinc/24/79/77/722247977.db2.gz NPPZFQLCZQZWCP-UHFFFAOYSA-N 0 0 491.285 4.680 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CCO2 ZINC001165002520 722249731 /nfs/dbraw/zinc/24/97/31/722249731.db2.gz ZVHKTAJFRZNUOH-GOSISDBHSA-N 0 0 480.726 4.691 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3c(Cl)nccc3c1)CCO2 ZINC001165002135 722249909 /nfs/dbraw/zinc/24/99/09/722249909.db2.gz XFCAYOUTCHODOI-JOCHJYFZSA-N 0 0 461.896 4.538 20 0 JJADRN c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2CCN(Cc2ccccc2)C3)cc1 ZINC001165006082 722271284 /nfs/dbraw/zinc/27/12/84/722271284.db2.gz LSIFAAHKNCPAKE-NSOVKSMOSA-N 0 0 454.618 4.652 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)nc1Cl 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OCVOVLWSGCHXAM-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC[C@H](CC(F)(F)F)NC(=O)c1csc(I)c1Br ZINC001458672040 1067105755 /nfs/dbraw/zinc/10/57/55/1067105755.db2.gz TXSAPWZEAGOFFW-RXMQYKEDSA-N 0 0 456.065 4.576 20 0 JJADRN COc1ccc(Cl)cc1Cn1c(Br)nc(Br)c1Br ZINC001459058845 1067241233 /nfs/dbraw/zinc/24/12/33/1067241233.db2.gz WTQVSUKCXRGHEX-UHFFFAOYSA-N 0 0 459.363 4.881 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC1CCC(F)(F)CC1 ZINC001359713354 1064261421 /nfs/dbraw/zinc/26/14/21/1064261421.db2.gz JNDYBOVIMUXFJN-UHFFFAOYSA-N 0 0 483.966 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1Cc1ccc(F)cc1F ZINC001545851649 1064261700 /nfs/dbraw/zinc/26/17/00/1064261700.db2.gz HHBBMYZJHYWOOL-QVKFZJNVSA-N 0 0 489.592 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1Cc1ccc(F)cc1F ZINC001545851651 1064261731 /nfs/dbraw/zinc/26/17/31/1064261731.db2.gz HHBBMYZJHYWOOL-YCRPNKLZSA-N 0 0 489.592 4.551 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC1CCC(F)(F)CC1 ZINC001545851607 1064261916 /nfs/dbraw/zinc/26/19/16/1064261916.db2.gz GTLWAZFVFPSWNH-XMSQKQJNSA-N 0 0 489.611 4.988 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1Cc1cscc1C(F)(F)F ZINC001359713738 1064262303 /nfs/dbraw/zinc/26/23/03/1064262303.db2.gz WTRLMJXTZPWPRR-UHFFFAOYSA-N 0 0 499.509 4.771 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359713636 1064262344 /nfs/dbraw/zinc/26/23/44/1064262344.db2.gz SVECBNDKGKECKK-JKSUJKDBSA-N 0 0 485.501 4.936 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C/C=C\c1ccccc1 ZINC001545852422 1064262779 /nfs/dbraw/zinc/26/27/79/1064262779.db2.gz SQKYWUKDEAWPIM-LTVUMVASSA-N 0 0 479.650 4.938 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001359714890 1064262884 /nfs/dbraw/zinc/26/28/84/1064262884.db2.gz KJGMXTKEILGLEM-KRWDZBQOSA-N 0 0 475.584 4.857 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001359714570 1064262916 /nfs/dbraw/zinc/26/29/16/1064262916.db2.gz BJZBUGYQLAMALX-MOPGFXCFSA-N 0 0 495.628 4.701 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC001545853447 1064263285 /nfs/dbraw/zinc/26/32/85/1064263285.db2.gz MIHYIIMGEUJPFF-YFNKSVMNSA-N 0 0 452.595 4.797 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359715344 1064263284 /nfs/dbraw/zinc/26/32/84/1064263284.db2.gz YBEMIVDLSSYDRR-PMACEKPBSA-N 0 0 486.636 4.513 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC[C@H]1CCCCO1 ZINC001545854242 1064263769 /nfs/dbraw/zinc/26/37/69/1064263769.db2.gz CMHXTHCWJBXPTI-KJXAQDMKSA-N 0 0 453.631 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001545855067 1064264185 /nfs/dbraw/zinc/26/41/85/1064264185.db2.gz QKESIQGHLQTGAP-HOTGVXAUSA-N 0 0 499.603 4.516 20 0 JJADRN CC(C)c1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359715661 1064264311 /nfs/dbraw/zinc/26/43/11/1064264311.db2.gz IAKLDLBUKNQFBH-MRXNPFEDSA-N 0 0 489.640 4.760 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545855656 1064264582 /nfs/dbraw/zinc/26/45/82/1064264582.db2.gz ZEAUQNSRAFXTSI-HZPDHXFCSA-N 0 0 483.604 4.902 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN(CC)C(=O)OC(C)(C)C ZINC001545856925 1064265312 /nfs/dbraw/zinc/26/53/12/1064265312.db2.gz KZFMXQJVHCLSGQ-HXUWFJFHSA-N 0 0 490.693 4.613 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545857160 1064265894 /nfs/dbraw/zinc/26/58/94/1064265894.db2.gz QAWMIFHJPAZZCG-REPLKXPHSA-N 0 0 471.646 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CC1(CC(C)C)CC1 ZINC001545857430 1064266389 /nfs/dbraw/zinc/26/63/89/1064266389.db2.gz WKRPXINWBVZGNM-IBGZPJMESA-N 0 0 453.631 4.810 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545857517 1064266477 /nfs/dbraw/zinc/26/64/77/1064266477.db2.gz YDYABDVFLWPIAU-RBUKOAKNSA-N 0 0 481.666 4.924 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001359719230 1064266712 /nfs/dbraw/zinc/26/67/12/1064266712.db2.gz GOONEUZDOSBGKT-CTNGQTDRSA-N 0 0 474.719 4.539 20 0 JJADRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001545858771 1064266999 /nfs/dbraw/zinc/26/69/99/1064266999.db2.gz WZSIDMRDVHBSJW-JKSUJKDBSA-N 0 0 458.580 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CCc1ccc(N(C)C)cc1 ZINC001545859166 1064267591 /nfs/dbraw/zinc/26/75/91/1064267591.db2.gz GIWFIFRFUYROQG-ZJSXRUAMSA-N 0 0 466.674 4.664 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359722682 1064268511 /nfs/dbraw/zinc/26/85/11/1064268511.db2.gz AHKNCBRFNHEKJQ-GOSISDBHSA-N 0 0 499.990 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001545859957 1064268723 /nfs/dbraw/zinc/26/87/23/1064268723.db2.gz XNYPKMAVVJRPGA-JXALWOEJSA-N 0 0 483.657 4.832 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=CCC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001545860894 1064268971 /nfs/dbraw/zinc/26/89/71/1064268971.db2.gz IYOFHLJAIAMDOX-SFHVURJKSA-N 0 0 453.484 4.584 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1Cc1cccnc1OCC(F)F ZINC001359723185 1064269736 /nfs/dbraw/zinc/26/97/36/1064269736.db2.gz LWGAGXCPFIRYBI-LJQANCHMSA-N 0 0 495.933 4.859 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001545861827 1064269723 /nfs/dbraw/zinc/26/97/23/1064269723.db2.gz RGSPVDUZBKFNFV-UHFFFAOYSA-N 0 0 458.967 4.512 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001545862384 1064270251 /nfs/dbraw/zinc/27/02/51/1064270251.db2.gz IAQSPMPRYJHPBT-KRWDZBQOSA-N 0 0 492.064 4.788 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001545862658 1064270624 /nfs/dbraw/zinc/27/06/24/1064270624.db2.gz PJQSVOQEEFUTEV-FQEVSTJZSA-N 0 0 455.647 4.845 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001545862616 1064270791 /nfs/dbraw/zinc/27/07/91/1064270791.db2.gz NQVHQPJNZZQEJQ-WMTXJRDZSA-N 0 0 467.658 4.847 20 0 JJADRN CC(C)(C)c1ccc(C2(NC(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC001545863264 1064271673 /nfs/dbraw/zinc/27/16/73/1064271673.db2.gz IIQPEVZIKKITQL-JGCGQSQUSA-N 0 0 455.620 4.839 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359723901 1064271705 /nfs/dbraw/zinc/27/17/05/1064271705.db2.gz BKFLJTBQSCWLIV-LJQANCHMSA-N 0 0 450.461 4.714 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359723970 1064271811 /nfs/dbraw/zinc/27/18/11/1064271811.db2.gz CYLLUJSVBZVCJC-GOSISDBHSA-N 0 0 481.544 4.563 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359723900 1064271860 /nfs/dbraw/zinc/27/18/60/1064271860.db2.gz BKFLJTBQSCWLIV-IBGZPJMESA-N 0 0 450.461 4.714 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCOc1cccc(F)c1 ZINC001359724115 1064271901 /nfs/dbraw/zinc/27/19/01/1064271901.db2.gz GKNYCPROSOKFGH-LJQANCHMSA-N 0 0 473.618 4.952 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001359724401 1064272502 /nfs/dbraw/zinc/27/25/02/1064272502.db2.gz MCKMHIDTULXSQH-DFBJGRDBSA-N 0 0 469.655 4.641 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001359724402 1064272529 /nfs/dbraw/zinc/27/25/29/1064272529.db2.gz MCKMHIDTULXSQH-KBMIEXCESA-N 0 0 469.655 4.641 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359724573 1064272540 /nfs/dbraw/zinc/27/25/40/1064272540.db2.gz PTSQIVRUAQJEDO-GOTSBHOMSA-N 0 0 483.657 4.639 20 0 JJADRN CC(C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359726235 1064272974 /nfs/dbraw/zinc/27/29/74/1064272974.db2.gz GRZUVSNPKOIWAS-RBUKOAKNSA-N 0 0 451.681 4.626 20 0 JJADRN CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359726969 1064273546 /nfs/dbraw/zinc/27/35/46/1064273546.db2.gz BXTMAZIWBJYOLV-BBWFWOEESA-N 0 0 459.557 4.874 20 0 JJADRN CC(C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001359727133 1064273667 /nfs/dbraw/zinc/27/36/67/1064273667.db2.gz JWTBREFRLPIWPV-NVXWUHKLSA-N 0 0 452.521 4.785 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C ZINC001545865591 1064273743 /nfs/dbraw/zinc/27/37/43/1064273743.db2.gz GRKXEOFORHUWKK-NDEPHWFRSA-N 0 0 491.684 4.733 20 0 JJADRN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C/C=C/c1ccccc1 ZINC001359727439 1064274286 /nfs/dbraw/zinc/27/42/86/1064274286.db2.gz UPEKGIIYLCQNSK-DYXITNMZSA-N 0 0 451.615 4.951 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1Cc1csc(-c2ccco2)n1 ZINC001545865880 1064275023 /nfs/dbraw/zinc/27/50/23/1064275023.db2.gz OMRQXYIFNXHVJF-HSZRJFAPSA-N 0 0 456.616 4.588 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1Cc1ccc(OC)nc1 ZINC001545865830 1064275051 /nfs/dbraw/zinc/27/50/51/1064275051.db2.gz NAZUCEAHGVXMAH-UHFFFAOYSA-N 0 0 490.652 4.515 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@@H]1CSc2ccccc21 ZINC001545865824 1064275084 /nfs/dbraw/zinc/27/50/84/1064275084.db2.gz MVWZJRXUYXWZIY-ZWKOTPCHSA-N 0 0 455.672 4.958 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359728335 1064275518 /nfs/dbraw/zinc/27/55/18/1064275518.db2.gz BLRXHEMISXBTQK-HNNXBMFYSA-N 0 0 491.400 4.792 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(Br)C2)n1CC1(OC)CCC(C)CC1 ZINC001545866028 1064275610 /nfs/dbraw/zinc/27/56/10/1064275610.db2.gz SLWQSHYDRVHTTA-UHFFFAOYSA-N 0 0 496.494 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1CC(O)(CC)CC ZINC001545866071 1064275637 /nfs/dbraw/zinc/27/56/37/1064275637.db2.gz UHAJXFMMJFIDIW-UHFFFAOYSA-N 0 0 469.674 4.614 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001545866199 1064276069 /nfs/dbraw/zinc/27/60/69/1064276069.db2.gz YARLJURJXSFMQC-IBGZPJMESA-N 0 0 491.684 4.920 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCC2(C)C)C1 ZINC001359728508 1064276408 /nfs/dbraw/zinc/27/64/08/1064276408.db2.gz FGEMQSFQLRRRCJ-VXKWHMMOSA-N 0 0 487.714 4.894 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001545866595 1064276735 /nfs/dbraw/zinc/27/67/35/1064276735.db2.gz IYSUITGVUTWFLG-LBPRGKRZSA-N 0 0 455.324 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CC[C@H](C)c1ccc(OC)cc1 ZINC001545867498 1064277296 /nfs/dbraw/zinc/27/72/96/1064277296.db2.gz CRJWZADBYQEAGC-UFYCRDLUSA-N 0 0 455.647 4.881 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001545867506 1064277397 /nfs/dbraw/zinc/27/73/97/1064277397.db2.gz CUACZYGJIWPPDP-CVDCTZTESA-N 0 0 482.673 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](OC)c1ccccc1 ZINC001545867509 1064277426 /nfs/dbraw/zinc/27/74/26/1064277426.db2.gz CVFLIEIECNHTQW-DENIHFKCSA-N 0 0 453.631 4.601 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccccc2)C1 ZINC001359728711 1064277419 /nfs/dbraw/zinc/27/74/19/1064277419.db2.gz JHTPCKBEJHBNRF-KOSHJBKYSA-N 0 0 486.458 4.826 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001359728907 1064277917 /nfs/dbraw/zinc/27/79/17/1064277917.db2.gz OAVXPMTYPKPPDF-PKOBYXMFSA-N 0 0 466.598 4.656 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001545867760 1064278005 /nfs/dbraw/zinc/27/80/05/1064278005.db2.gz HCUGKWYBAHRKNT-RTBURBONSA-N 0 0 450.631 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(OC2CCCC2)cc1 ZINC001545867867 1064278066 /nfs/dbraw/zinc/27/80/66/1064278066.db2.gz IODRKFGLFDOFLE-MOPGFXCFSA-N 0 0 453.631 4.801 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCCS(C)(=O)=O)C1 ZINC001359729056 1064278308 /nfs/dbraw/zinc/27/83/08/1064278308.db2.gz RJGVTKJVTQMJPX-KRWDZBQOSA-N 0 0 471.042 4.825 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001359729205 1064278463 /nfs/dbraw/zinc/27/84/63/1064278463.db2.gz UUARWLXCOPWMPR-VFNWGFHPSA-N 0 0 478.460 4.877 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCCOc1ccc(C)cc1 ZINC001545868267 1064278688 /nfs/dbraw/zinc/27/86/88/1064278688.db2.gz NZLFKBIYVMCYMK-NRFANRHFSA-N 0 0 467.658 4.991 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2(C)C)C1 ZINC001359729276 1064279000 /nfs/dbraw/zinc/27/90/00/1064279000.db2.gz WHQXLGMZSGZHGP-PMACEKPBSA-N 0 0 476.712 4.753 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCOc1ccccc1C(C)C ZINC001545868391 1064279354 /nfs/dbraw/zinc/27/93/54/1064279354.db2.gz PTCSFAAPBROSOJ-VQTJNVASSA-N 0 0 455.647 4.881 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC001359729390 1064279684 /nfs/dbraw/zinc/27/96/84/1064279684.db2.gz YRKMGYASVXEPDW-IFMALSPDSA-N 0 0 453.631 4.614 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@@H]2CCOC2)C1 ZINC001359729717 1064280212 /nfs/dbraw/zinc/28/02/12/1064280212.db2.gz GHTHUHIERONRAU-IEBWSBKVSA-N 0 0 495.437 4.915 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359729738 1064280301 /nfs/dbraw/zinc/28/03/01/1064280301.db2.gz GNRFKNPOGDDHJI-HNNXBMFYSA-N 0 0 450.534 4.931 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001545869380 1064280746 /nfs/dbraw/zinc/28/07/46/1064280746.db2.gz MNSGLXLEJXLSBA-NRFANRHFSA-N 0 0 457.347 4.767 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001359729832 1064281102 /nfs/dbraw/zinc/28/11/02/1064281102.db2.gz IDANEFASHUHBBY-IBGZPJMESA-N 0 0 471.671 4.523 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545869856 1064281289 /nfs/dbraw/zinc/28/12/89/1064281289.db2.gz AAVGEHPSFHQJKA-WATLYSKOSA-N 0 0 497.684 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001545869855 1064281306 /nfs/dbraw/zinc/28/13/06/1064281306.db2.gz AAVGEHPSFHQJKA-STWLZBDKSA-N 0 0 497.684 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccc(OC)cc3)CC2)n1CC1CC(F)(F)C1 ZINC001545869906 1064281336 /nfs/dbraw/zinc/28/13/36/1064281336.db2.gz BHVFCWCHYZOUNB-UHFFFAOYSA-N 0 0 475.584 4.634 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359730427 1064281417 /nfs/dbraw/zinc/28/14/17/1064281417.db2.gz URCMJYCLDYCYCM-PXNSSMCTSA-N 0 0 485.982 4.734 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001359730529 1064281477 /nfs/dbraw/zinc/28/14/77/1064281477.db2.gz WPASEGCUFQFFPE-FPOVZHCZSA-N 0 0 499.656 4.844 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)COC2)C1 ZINC001359730355 1064281768 /nfs/dbraw/zinc/28/17/68/1064281768.db2.gz SSVDLWQZMFCFPO-OAHLLOKOSA-N 0 0 451.384 4.756 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCSCCCO)C1 ZINC001359730621 1064282214 /nfs/dbraw/zinc/28/22/14/1064282214.db2.gz YDELTFVPKBRSOX-QGZVFWFLSA-N 0 0 467.477 4.696 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)C1 ZINC001359730773 1064282389 /nfs/dbraw/zinc/28/23/89/1064282389.db2.gz AVTWJYMZBNMJPH-YADHBBJMSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H]2C)C1 ZINC001359730932 1064283038 /nfs/dbraw/zinc/28/30/38/1064283038.db2.gz DZFQARFKAGIMLV-LRSLUSHPSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359731030 1064283057 /nfs/dbraw/zinc/28/30/57/1064283057.db2.gz GJUZUCGOOTYUSG-FCHUYYIVSA-N 0 0 482.673 4.783 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359731081 1064283653 /nfs/dbraw/zinc/28/36/53/1064283653.db2.gz HFIXXYMPSPINAO-STZQEDGTSA-N 0 0 461.601 4.973 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359731079 1064283866 /nfs/dbraw/zinc/28/38/66/1064283866.db2.gz HFIXXYMPSPINAO-COPCDDAFSA-N 0 0 461.601 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545870360 1064283989 /nfs/dbraw/zinc/28/39/89/1064283989.db2.gz MNGXPZNLVCFPIG-CCLHPLFOSA-N 0 0 485.648 4.661 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001359731645 1064284357 /nfs/dbraw/zinc/28/43/57/1064284357.db2.gz PWFQYABPOZBESE-NHCUHLMSSA-N 0 0 454.663 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1C[C@H](OC)C(C)(C)C ZINC001545870516 1064284677 /nfs/dbraw/zinc/28/46/77/1064284677.db2.gz PLVNLACCSFRFOE-COPCDDAFSA-N 0 0 455.647 4.640 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C1 ZINC001359731918 1064284876 /nfs/dbraw/zinc/28/48/76/1064284876.db2.gz VAEXIEHKQRWXPP-NRFANRHFSA-N 0 0 475.678 4.570 20 0 JJADRN CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1)N1CCOCC1 ZINC001359731946 1064285497 /nfs/dbraw/zinc/28/54/97/1064285497.db2.gz VMKAHLRLBYQMQA-UPVQGACJSA-N 0 0 474.093 4.752 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001359731974 1064285606 /nfs/dbraw/zinc/28/56/06/1064285606.db2.gz VUHAEUYFWKTQBC-IRXDYDNUSA-N 0 0 452.521 4.833 20 0 JJADRN Cc1c2cc(C(=O)N3CCN(c4ccc(F)cc4Cl)CC3)[nH]c2ccc1Br ZINC001545871006 1064286561 /nfs/dbraw/zinc/28/65/61/1064286561.db2.gz COLJVXVIOTZFIE-UHFFFAOYSA-N 0 0 450.739 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001545871879 1064287141 /nfs/dbraw/zinc/28/71/41/1064287141.db2.gz BELPDDMNZZJUOP-GOSISDBHSA-N 0 0 481.666 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@H](C)Oc1ccccc1C ZINC001545871905 1064287177 /nfs/dbraw/zinc/28/71/77/1064287177.db2.gz BSSJHHIXWLKHJI-GHTZIAJQSA-N 0 0 489.611 4.844 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCS1 ZINC001359732808 1064287630 /nfs/dbraw/zinc/28/76/30/1064287630.db2.gz LDIVHIKYMGHMQU-JXFKEZNVSA-N 0 0 452.466 4.957 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCSC2)C1 ZINC001359732818 1064287667 /nfs/dbraw/zinc/28/76/67/1064287667.db2.gz LHUSDPQHMDPCRZ-OPAMFIHVSA-N 0 0 485.481 4.904 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CCOc1cc(C)cc(C)c1 ZINC001545872214 1064287744 /nfs/dbraw/zinc/28/77/44/1064287744.db2.gz JMCOFZABTCIMLE-JOCHJYFZSA-N 0 0 489.611 4.764 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCOc1cc(C)cc(C)c1 ZINC001545872215 1064287878 /nfs/dbraw/zinc/28/78/78/1064287878.db2.gz JMCOFZABTCIMLE-QFIPXVFZSA-N 0 0 489.611 4.764 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1Cc1ccc(C)cc1F ZINC001545872350 1064287926 /nfs/dbraw/zinc/28/79/26/1064287926.db2.gz NOFKQOROBOUEGS-UHFFFAOYSA-N 0 0 470.618 4.533 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001545872161 1064287968 /nfs/dbraw/zinc/28/79/68/1064287968.db2.gz IRRWSRZOXCMQGK-OAQYLSRUSA-N 0 0 484.670 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CCSc1ccccc1 ZINC001545872744 1064288666 /nfs/dbraw/zinc/28/86/66/1064288666.db2.gz XBVGWTOEHMOVCB-HXUWFJFHSA-N 0 0 477.625 4.860 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@]3(COC)CCCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC001545873736 1064289004 /nfs/dbraw/zinc/28/90/04/1064289004.db2.gz YQMCUAUXWDSBEN-AREMUKBSSA-N 0 0 458.599 4.507 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1ncnn1C(C)(C)C ZINC001359733171 1064289642 /nfs/dbraw/zinc/28/96/42/1064289642.db2.gz SZIWRZCYMVAEOU-SFHVURJKSA-N 0 0 472.435 4.727 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1c2ccccc2C[C@@H]1C ZINC001545873947 1064289666 /nfs/dbraw/zinc/28/96/66/1064289666.db2.gz DNHGZRZKFVETNJ-SFTDATJTSA-N 0 0 466.674 4.520 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccccc2)C1 ZINC001359733149 1064289676 /nfs/dbraw/zinc/28/96/76/1064289676.db2.gz SORNHJZEHITMMS-ZTFFSLEMSA-N 0 0 497.684 4.829 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOC[C@H]1CCCO1 ZINC001359733264 1064290384 /nfs/dbraw/zinc/29/03/84/1064290384.db2.gz VEUVSCRBGBBSIV-RTWAWAEBSA-N 0 0 477.447 4.918 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOC[C@@H]1CCCO1 ZINC001359733262 1064290536 /nfs/dbraw/zinc/29/05/36/1064290536.db2.gz VEUVSCRBGBBSIV-LEWJYISDSA-N 0 0 477.447 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C[C@@H]1CCCSC1 ZINC001545874297 1064290632 /nfs/dbraw/zinc/29/06/32/1064290632.db2.gz NHWRBNVOTFZLNV-PMACEKPBSA-N 0 0 473.662 4.548 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(Cl)c(F)c1 ZINC001545874847 1064291385 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CC(C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCC(F)(F)F)C1 ZINC001359743159 1064313315 /nfs/dbraw/zinc/31/33/15/1064313315.db2.gz CQDHTAILVWANNJ-SFHVURJKSA-N 0 0 459.516 4.736 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1Cl ZINC001434881632 1064313658 /nfs/dbraw/zinc/31/36/58/1064313658.db2.gz FKOJUDWUHPYTOT-UHFFFAOYSA-N 0 0 458.896 4.685 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)CC(F)(F)F)C1 ZINC001359743630 1064313949 /nfs/dbraw/zinc/31/39/49/1064313949.db2.gz ONIJVPFOGJGKSC-GOSISDBHSA-N 0 0 457.972 4.889 20 0 JJADRN Cc1c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001434882234 1064314586 /nfs/dbraw/zinc/31/45/86/1064314586.db2.gz HBGFYOUDCZNOGL-UGKGYDQZSA-N 0 0 458.484 4.551 20 0 JJADRN CC(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001359743835 1064315026 /nfs/dbraw/zinc/31/50/26/1064315026.db2.gz SNVSFNQMUWAZIY-UHFFFAOYSA-N 0 0 476.522 4.932 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc2c(Br)cnn2c1 ZINC001434882458 1064315197 /nfs/dbraw/zinc/31/51/97/1064315197.db2.gz JZRWXZJUBUDOGN-CQSZACIVSA-N 0 0 450.720 4.560 20 0 JJADRN O=C(NCCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001434883622 1064316105 /nfs/dbraw/zinc/31/61/05/1064316105.db2.gz OXANVKZBIBPMRM-UHFFFAOYSA-N 0 0 455.297 4.812 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359744619 1064316362 /nfs/dbraw/zinc/31/63/62/1064316362.db2.gz NEDWMXNTAGYFLB-KRWDZBQOSA-N 0 0 465.545 4.906 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001359744620 1064316417 /nfs/dbraw/zinc/31/64/17/1064316417.db2.gz NEDWMXNTAGYFLB-QGZVFWFLSA-N 0 0 465.545 4.906 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSc2ccccc2)C1 ZINC001359744782 1064317116 /nfs/dbraw/zinc/31/71/16/1064317116.db2.gz RYHUZNCUCZCTLW-SFHVURJKSA-N 0 0 455.653 4.544 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359744707 1064317307 /nfs/dbraw/zinc/31/73/07/1064317307.db2.gz PWKLENXZMUTKTN-FCHUYYIVSA-N 0 0 463.592 4.820 20 0 JJADRN Cc1c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cccc1C(=O)N1CCOCC1 ZINC001434885532 1064317811 /nfs/dbraw/zinc/31/78/11/1064317811.db2.gz QENPYGFMUYNYPE-UHFFFAOYSA-N 0 0 457.502 4.781 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001359745199 1064318077 /nfs/dbraw/zinc/31/80/77/1064318077.db2.gz CNXVDQFFDFNVRF-HMXCVIKNSA-N 0 0 461.651 4.648 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cnnn1-c1ccccc1Br ZINC001434886723 1064318395 /nfs/dbraw/zinc/31/83/95/1064318395.db2.gz QYZFJWLJAOYTMY-UHFFFAOYSA-N 0 0 457.347 4.801 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359745553 1064319761 /nfs/dbraw/zinc/31/97/61/1064319761.db2.gz LXYZMQDEHIBAGD-QZTJIDSGSA-N 0 0 485.982 4.877 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)cc1Cl ZINC001434888973 1064320117 /nfs/dbraw/zinc/32/01/17/1064320117.db2.gz XAMCTHPTUTYXTB-UHFFFAOYSA-N 0 0 458.896 4.685 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001359745653 1064320347 /nfs/dbraw/zinc/32/03/47/1064320347.db2.gz OICQCLDOXMUUHY-CCSDVLNMSA-N 0 0 489.705 4.982 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2nccs2)C1 ZINC001359745783 1064320378 /nfs/dbraw/zinc/32/03/78/1064320378.db2.gz QMGJCBSJMGNUHE-QRVBRYPASA-N 0 0 474.675 4.620 20 0 JJADRN CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 ZINC001434890278 1064320810 /nfs/dbraw/zinc/32/08/10/1064320810.db2.gz PIWBQPLLYOLDTE-IERDGZPVSA-N 0 0 459.384 4.605 20 0 JJADRN CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC001434892832 1064322277 /nfs/dbraw/zinc/32/22/77/1064322277.db2.gz COGZKKLINZJHOV-UHFFFAOYSA-N 0 0 458.440 4.520 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C2CC(C(C)(C)C)C2)CCO1 ZINC001359746247 1064322750 /nfs/dbraw/zinc/32/27/50/1064322750.db2.gz BTIMPVPWFAUHGX-JFUPDXTOSA-N 0 0 450.425 4.894 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)c2cc(C)cc(C)c2Br)cc1OC ZINC001434894370 1064322914 /nfs/dbraw/zinc/32/29/14/1064322914.db2.gz OSLSYGCTHQIEHY-UHFFFAOYSA-N 0 0 458.356 4.889 20 0 JJADRN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC001434894060 1064323148 /nfs/dbraw/zinc/32/31/48/1064323148.db2.gz SKPKIHMCZQTINT-UHFFFAOYSA-N 0 0 455.484 4.595 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1=O ZINC001434894669 1064323222 /nfs/dbraw/zinc/32/32/22/1064323222.db2.gz SEHDNDTYWYWJPT-QHCPKHFHSA-N 0 0 458.558 4.836 20 0 JJADRN O=C(NCCCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001434893818 1064323256 /nfs/dbraw/zinc/32/32/56/1064323256.db2.gz QNHHPBCPPPQKRV-UHFFFAOYSA-N 0 0 458.480 4.997 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCCc1cccc(C(F)(F)F)c1 ZINC001434894047 1064323286 /nfs/dbraw/zinc/32/32/86/1064323286.db2.gz SEMHYERUTXDZIN-INIZCTEOSA-N 0 0 455.274 4.643 20 0 JJADRN COc1ccc(Cn2ncc(C)c2NC(=O)[C@H](C)c2ccc(Br)cc2)cc1OC ZINC001434894974 1064323881 /nfs/dbraw/zinc/32/38/81/1064323881.db2.gz STDOBFJSTMFGQA-OAHLLOKOSA-N 0 0 458.356 4.762 20 0 JJADRN COc1ncc(/C=C\C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1 ZINC001434897608 1064325547 /nfs/dbraw/zinc/32/55/47/1064325547.db2.gz BFFOTSFPHYBJBT-CLFYSBASSA-N 0 0 456.424 4.717 20 0 JJADRN COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)O1 ZINC001434897951 1064326265 /nfs/dbraw/zinc/32/62/65/1064326265.db2.gz FJACMABSQWJJNW-AZUAARDMSA-N 0 0 478.467 4.705 20 0 JJADRN CCc1c(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cnn1-c1ccc(F)cc1 ZINC001434898465 1064327018 /nfs/dbraw/zinc/32/70/18/1064327018.db2.gz SHAHJJKDPJNNNH-UHFFFAOYSA-N 0 0 457.431 4.708 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(COC(C)(C)C)on2)CCO1 ZINC001359747316 1064327386 /nfs/dbraw/zinc/32/73/86/1064327386.db2.gz YUFPTWXSNJELOD-OAQYLSRUSA-N 0 0 474.005 4.811 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)c(F)c2)CCS1 ZINC001359747349 1064327494 /nfs/dbraw/zinc/32/74/94/1064327494.db2.gz ZJLGTPKBMCEUNC-IBGZPJMESA-N 0 0 496.425 4.950 20 0 JJADRN Cc1ccc(N(C(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c2nc3ccccc3s2)c(C)c1 ZINC001434900493 1064328332 /nfs/dbraw/zinc/32/83/32/1064328332.db2.gz KPRPSCBFGMHZFX-FQEVSTJZSA-N 0 0 451.592 4.851 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@H]2C)CCS1 ZINC001359747529 1064328743 /nfs/dbraw/zinc/32/87/43/1064328743.db2.gz DEGCRMDCWCFBPQ-POAQFYNOSA-N 0 0 479.488 4.958 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001359747524 1064328948 /nfs/dbraw/zinc/32/89/48/1064328948.db2.gz DAFMIEZOKYIJQG-ZJSXRUAMSA-N 0 0 465.013 4.930 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H]3CC(=O)Nc4ccccc43)c(C(F)(F)F)c2)n1 ZINC001434900910 1064328866 /nfs/dbraw/zinc/32/88/66/1064328866.db2.gz NRWKEFWMJGCZCQ-QGZVFWFLSA-N 0 0 456.468 4.640 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2n(n1)CCCC2=O ZINC001434901069 1064329047 /nfs/dbraw/zinc/32/90/47/1064329047.db2.gz QUOHSUTWAXFZFG-UHFFFAOYSA-N 0 0 456.424 4.691 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)C[C@H](n3cccn3)C(F)(F)F)c(C(F)(F)F)c2)n1 ZINC001434900879 1064329063 /nfs/dbraw/zinc/32/90/63/1064329063.db2.gz NHWAMWWIVCWDFS-KRWDZBQOSA-N 0 0 459.394 4.514 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCS1 ZINC001359747567 1064329753 /nfs/dbraw/zinc/32/97/53/1064329753.db2.gz DTRHRJROFPVXLT-AZUAARDMSA-N 0 0 459.660 4.778 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)c1C ZINC001434902336 1064330439 /nfs/dbraw/zinc/33/04/39/1064330439.db2.gz XPZLFZKORSBIGZ-UHFFFAOYSA-N 0 0 452.576 4.907 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCSCC(F)(F)F)CCO1 ZINC001359747728 1064330641 /nfs/dbraw/zinc/33/06/41/1064330641.db2.gz HKVXFWXXIVPOCK-SFHVURJKSA-N 0 0 465.545 4.650 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001359747866 1064331371 /nfs/dbraw/zinc/33/13/71/1064331371.db2.gz KIDZVINRSUZBFG-RHSMWYFYSA-N 0 0 461.340 4.537 20 0 JJADRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001434904208 1064331830 /nfs/dbraw/zinc/33/18/30/1064331830.db2.gz GKGVPCUFXUBDSI-UHFFFAOYSA-N 0 0 458.440 4.989 20 0 JJADRN Cc1nn(C2CCOCC2)c(C)c1C(=O)Oc1c(Br)cccc1Br ZINC001434904516 1064331976 /nfs/dbraw/zinc/33/19/76/1064331976.db2.gz JNESTZMSBIUQPO-UHFFFAOYSA-N 0 0 458.150 4.596 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCOCC2)CCS1 ZINC001359748105 1064332525 /nfs/dbraw/zinc/33/25/25/1064332525.db2.gz OMAHVUIANPDTDA-IBGZPJMESA-N 0 0 483.451 4.851 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCC2CCOCC2)CCO1 ZINC001359748103 1064332842 /nfs/dbraw/zinc/33/28/42/1064332842.db2.gz OKMTZCONLWQVNZ-NRFANRHFSA-N 0 0 477.447 4.776 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC001434906200 1064333183 /nfs/dbraw/zinc/33/31/83/1064333183.db2.gz SNXKVVBSVAYWRS-KRWDZBQOSA-N 0 0 456.283 4.875 20 0 JJADRN CC(C)(CNC(=O)c1c(Br)cccc1Br)c1ccc2c(c1)OCO2 ZINC001434905943 1064333257 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VNJYDNDMAPQZFY-IBGZPJMESA-N 0 0 488.430 4.903 20 0 JJADRN CCCCCCOCc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 ZINC001434907149 1064334759 /nfs/dbraw/zinc/33/47/59/1064334759.db2.gz NOFRCWOSHVHBSD-ISKFKSNPSA-N 0 0 454.615 4.844 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001359748452 1064334914 /nfs/dbraw/zinc/33/49/14/1064334914.db2.gz VYTGTOXLKZXDTA-RDTXWAMCSA-N 0 0 451.384 4.754 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1 ZINC001434909354 1064335355 /nfs/dbraw/zinc/33/53/55/1064335355.db2.gz JERVWCOUVGCMEF-UHFFFAOYSA-N 0 0 453.296 4.610 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC001434909277 1064335398 /nfs/dbraw/zinc/33/53/98/1064335398.db2.gz XQQNZHBKMCAGTI-UHFFFAOYSA-N 0 0 455.574 4.691 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC001359748592 1064335402 /nfs/dbraw/zinc/33/54/02/1064335402.db2.gz ZTAGHRGRIMVKDQ-QHCPKHFHSA-N 0 0 497.684 4.971 20 0 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BFVPULDQUCQEDU-AZGAKELHSA-N 0 0 484.685 4.740 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001359762955 1064377382 /nfs/dbraw/zinc/37/73/82/1064377382.db2.gz BEFMJJIEANNBTL-PGRDOPGGSA-N 0 0 465.063 4.902 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)o1 ZINC001359763108 1064378050 /nfs/dbraw/zinc/37/80/50/1064378050.db2.gz DSAFXEYVQJOGLF-GCJKJVERSA-N 0 0 488.430 4.707 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCC=C(Br)C2)c1 ZINC001359763161 1064378136 /nfs/dbraw/zinc/37/81/36/1064378136.db2.gz FZKAKGRKBBDGTO-UHFFFAOYSA-N 0 0 460.420 4.923 20 0 JJADRN CC(C)N(CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1)C(=O)OC(C)(C)C ZINC001434962663 1064378385 /nfs/dbraw/zinc/37/83/85/1064378385.db2.gz KRJZSAVNMOBQCY-QFIPXVFZSA-N 0 0 451.567 4.619 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](C(F)F)C2)c1 ZINC001359763224 1064378749 /nfs/dbraw/zinc/37/87/49/1064378749.db2.gz HLKMQUWTSLQRCA-FQEVSTJZSA-N 0 0 468.552 4.855 20 0 JJADRN 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1064436067 /nfs/dbraw/zinc/43/60/67/1064436067.db2.gz SECSMGIXNWMTBR-RHSMWYFYSA-N 0 0 457.344 4.883 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001435020368 1064436964 /nfs/dbraw/zinc/43/69/64/1064436964.db2.gz DOKUJHKIHKIMOU-AWEZNQCLSA-N 0 0 450.004 4.885 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cn(C)nc3-c3ccccc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001435020063 1064437062 /nfs/dbraw/zinc/43/70/62/1064437062.db2.gz WAXDUGXFKDNOGE-HZPDHXFCSA-N 0 0 458.484 4.972 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359785242 1064438736 /nfs/dbraw/zinc/43/87/36/1064438736.db2.gz FTOUJZCYVAGKKF-UHFFFAOYSA-N 0 0 478.037 4.512 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2cccc(Cl)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359785744 1064438795 /nfs/dbraw/zinc/43/87/95/1064438795.db2.gz YLFIZXXIJUYIEI-QGZVFWFLSA-N 0 0 473.971 4.529 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001435021844 1064439502 /nfs/dbraw/zinc/43/95/02/1064439502.db2.gz UWEMWVBEXVQOFE-FQEVSTJZSA-N 0 0 452.595 4.878 20 0 JJADRN CCC[C@@H](NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)N1CCc2sccc2C1 ZINC001435021764 1064439545 /nfs/dbraw/zinc/43/95/45/1064439545.db2.gz UHCBLBSQTFODKD-LJQANCHMSA-N 0 0 453.633 4.917 20 0 JJADRN CCCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 ZINC001435022064 1064439608 /nfs/dbraw/zinc/43/96/08/1064439608.db2.gz FWEJDXBWLKXXLB-GBXCKJPGSA-N 0 0 459.949 4.684 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1C ZINC001435023069 1064440274 /nfs/dbraw/zinc/44/02/74/1064440274.db2.gz CQJRKDWDBNLRHA-UHFFFAOYSA-N 0 0 450.510 4.983 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)cc1 ZINC001435022176 1064440413 /nfs/dbraw/zinc/44/04/13/1064440413.db2.gz XFXYMQBJGHLNCH-NRFANRHFSA-N 0 0 455.558 4.804 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(C)cc(C)cc21 ZINC001435022528 1064440434 /nfs/dbraw/zinc/44/04/34/1064440434.db2.gz JGCIIPKFHFVTNX-MHZLTWQESA-N 0 0 450.579 4.958 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1C[C@H]1CSCCS1 ZINC001359786729 1064440851 /nfs/dbraw/zinc/44/08/51/1064440851.db2.gz HMJXNNFZSPORLH-MJGOQNOKSA-N 0 0 452.715 4.572 20 0 JJADRN Cc1c(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cccc1OCC(F)(F)F ZINC001435024105 1064441426 /nfs/dbraw/zinc/44/14/26/1064441426.db2.gz YACIXCAVRCCEBN-ZDUSSCGKSA-N 0 0 457.246 4.763 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2)CC1 ZINC001435025403 1064443125 /nfs/dbraw/zinc/44/31/25/1064443125.db2.gz WXYVEGPYZWZBDE-KITAHSCOSA-N 0 0 450.627 4.777 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435025182 1064443205 /nfs/dbraw/zinc/44/32/05/1064443205.db2.gz SDAUFMFUVVWJLB-UHFFFAOYSA-N 0 0 453.922 4.652 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@@H]1CC=CCC1 ZINC001359787941 1064443247 /nfs/dbraw/zinc/44/32/47/1064443247.db2.gz SKGWZSGLAZNIKQ-QGZVFWFLSA-N 0 0 465.411 4.733 20 0 JJADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@@H]1CCCSC1 ZINC001359788094 1064443267 /nfs/dbraw/zinc/44/32/67/1064443267.db2.gz VZMAXPKURONBII-INIZCTEOSA-N 0 0 485.467 4.520 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001435026243 1064443786 /nfs/dbraw/zinc/44/37/86/1064443786.db2.gz SAKPEWSNAVQWFJ-LJQANCHMSA-N 0 0 452.498 4.925 20 0 JJADRN Cc1oc(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1S(C)(=O)=O ZINC001435025870 1064443872 /nfs/dbraw/zinc/44/38/72/1064443872.db2.gz LSPRKJSORPLRKJ-UHFFFAOYSA-N 0 0 453.438 4.842 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359788556 1064444028 /nfs/dbraw/zinc/44/40/28/1064444028.db2.gz FUFMANOSMSUYJY-QZNHQXDQSA-N 0 0 485.673 4.994 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001435027158 1064444747 /nfs/dbraw/zinc/44/47/47/1064444747.db2.gz GSNDWXCWHMKYRB-AWEZNQCLSA-N 0 0 456.867 4.661 20 0 JJADRN 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CC(C)(C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 ZINC001435029174 1064446332 /nfs/dbraw/zinc/44/63/32/1064446332.db2.gz ZEQPVAJQERZISH-UHFFFAOYSA-N 0 0 456.867 4.760 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359789931 1064446343 /nfs/dbraw/zinc/44/63/43/1064446343.db2.gz RUGVXWNPQZVEMI-VQIMIIECSA-N 0 0 497.562 4.773 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H]2CCc3c2cccc3Br)c1 ZINC001435030175 1064447389 /nfs/dbraw/zinc/44/73/89/1064447389.db2.gz VJNSEUWWWXGUKM-MRXNPFEDSA-N 0 0 456.121 4.779 20 0 JJADRN Cc1csc([C@@H](C)NC(=O)c2cc(I)ccc2N2CCCCC2)n1 ZINC001359790701 1064447404 /nfs/dbraw/zinc/44/74/04/1064447404.db2.gz UJOJXLHNJYDWEE-CYBMUJFWSA-N 0 0 455.365 4.537 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(-c2ccccc2)no1 ZINC001359790557 1064447482 /nfs/dbraw/zinc/44/74/82/1064447482.db2.gz WXFZCUNTBFXJOG-XMSQKQJNSA-N 0 0 480.613 4.529 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359791663 1064448227 /nfs/dbraw/zinc/44/82/27/1064448227.db2.gz FEVLGPNJKYLRTI-HSALFYBXSA-N 0 0 465.708 4.987 20 0 JJADRN Cc1cc(NC(=O)Cc2csc3ccc(Br)cc23)n(-c2nc(C)cc(C)n2)n1 ZINC001435032226 1064449236 /nfs/dbraw/zinc/44/92/36/1064449236.db2.gz NAKBDTJTGKVMRZ-UHFFFAOYSA-N 0 0 456.369 4.746 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)c1 ZINC001435032354 1064449253 /nfs/dbraw/zinc/44/92/53/1064449253.db2.gz WSZLDDGKEVPPRC-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN O=C(OCc1ccc(Br)cc1)c1ccccc1OC(=O)[C@@H]1COc2ccccc21 ZINC001435031722 1064449364 /nfs/dbraw/zinc/44/93/64/1064449364.db2.gz SNYFMOBBGFERRR-LJQANCHMSA-N 0 0 453.288 4.888 20 0 JJADRN COC(=O)Cn1ccc(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 ZINC001435031563 1064449451 /nfs/dbraw/zinc/44/94/51/1064449451.db2.gz QNUNRDCDMVBWAO-UHFFFAOYSA-N 0 0 450.347 4.908 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cccc(Br)c3C2)n1Cc1nccc(C(F)F)n1 ZINC001359792662 1064449943 /nfs/dbraw/zinc/44/99/43/1064449943.db2.gz OOQOLRGQLZJPKU-UHFFFAOYSA-N 0 0 463.330 4.535 20 0 JJADRN COc1ccc(/C(C)=C/C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)cc1 ZINC001435033471 1064450156 /nfs/dbraw/zinc/45/01/56/1064450156.db2.gz USATZYJJAVEKGK-XDJHFCHBSA-N 0 0 456.542 4.878 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359792246 1064450243 /nfs/dbraw/zinc/45/02/43/1064450243.db2.gz KTGGHLBCQZZRRJ-IBGZPJMESA-N 0 0 479.591 4.929 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001359793472 1064451031 /nfs/dbraw/zinc/45/10/31/1064451031.db2.gz PFYGZCZGJOJTFW-ONTIZHBOSA-N 0 0 471.646 4.698 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2ccc(Oc3ncccc3C)cc2)cc1OC ZINC001435034623 1064451964 /nfs/dbraw/zinc/45/19/64/1064451964.db2.gz GOTAUFISXGFIFI-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359793521 1064451941 /nfs/dbraw/zinc/45/19/41/1064451941.db2.gz PLVIYMAMBVDFEC-CCLHPLFOSA-N 0 0 499.656 4.646 20 0 JJADRN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001435036397 1064452405 /nfs/dbraw/zinc/45/24/05/1064452405.db2.gz NMIKDSWICNVBIC-OAHLLOKOSA-N 0 0 457.543 4.521 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 ZINC001435037083 1064452635 /nfs/dbraw/zinc/45/26/35/1064452635.db2.gz FCIFJTPNENTQKT-KRWDZBQOSA-N 0 0 458.996 4.781 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1cc(Br)ncc1Br)O[C@@H](C)C2 ZINC001359794069 1064452717 /nfs/dbraw/zinc/45/27/17/1064452717.db2.gz OFXDDTMETMGUFP-VIFPVBQESA-N 0 0 456.134 4.581 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC001359794851 1064453618 /nfs/dbraw/zinc/45/36/18/1064453618.db2.gz ZTHJXHMCIVMOLG-UHFFFAOYSA-N 0 0 457.918 4.647 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC001359795455 1064453735 /nfs/dbraw/zinc/45/37/35/1064453735.db2.gz LEGKUAQDYWQFKZ-UHFFFAOYSA-N 0 0 453.564 4.838 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1=O ZINC001435037949 1064453815 /nfs/dbraw/zinc/45/38/15/1064453815.db2.gz PXUYEYTYKXYQDK-KRWDZBQOSA-N 0 0 452.457 4.544 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001435037545 1064453834 /nfs/dbraw/zinc/45/38/34/1064453834.db2.gz HTROFUAACGWGGL-CQSZACIVSA-N 0 0 454.404 4.912 20 0 JJADRN CCc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1S(C)(=O)=O ZINC001435038366 1064454435 /nfs/dbraw/zinc/45/44/35/1064454435.db2.gz COQHMMAHMVHNLG-KRWDZBQOSA-N 0 0 455.551 4.862 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)nnn1Cc1ccccc1 ZINC001435038369 1064454497 /nfs/dbraw/zinc/45/44/97/1064454497.db2.gz SJDMBYSNUSACDS-UHFFFAOYSA-N 0 0 456.984 4.797 20 0 JJADRN C[C@H](Sc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)C(N)=O ZINC001435038793 1064454533 /nfs/dbraw/zinc/45/45/33/1064454533.db2.gz WKEQCAGTVYQWMX-JTQLQIEISA-N 0 0 450.998 4.561 20 0 JJADRN CCc1ccc(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1S(C)(=O)=O ZINC001435038368 1064454667 /nfs/dbraw/zinc/45/46/67/1064454667.db2.gz COQHMMAHMVHNLG-QGZVFWFLSA-N 0 0 455.551 4.862 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359796011 1064455327 /nfs/dbraw/zinc/45/53/27/1064455327.db2.gz RWTBAAGLEZXSCT-UHFFFAOYSA-N 0 0 469.552 4.743 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001435039047 1064455471 /nfs/dbraw/zinc/45/54/71/1064455471.db2.gz IUEHYAAIZVNQCG-UHFFFAOYSA-N 0 0 453.267 4.570 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)ccc1F ZINC001435038768 1064455545 /nfs/dbraw/zinc/45/55/45/1064455545.db2.gz VAPCCOQBYSVHEB-UHFFFAOYSA-N 0 0 453.495 4.572 20 0 JJADRN CN(C)c1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(C(F)(F)F)c1 ZINC001435039396 1064456343 /nfs/dbraw/zinc/45/63/43/1064456343.db2.gz YWEGQUIPFPZJHI-UHFFFAOYSA-N 0 0 453.420 4.824 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2cnc(Cl)cn2)cc1 ZINC001435039747 1064456421 /nfs/dbraw/zinc/45/64/21/1064456421.db2.gz RTVOFEFBABXNCB-UHFFFAOYSA-N 0 0 459.731 4.698 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCOc1ccc(F)cc1 ZINC001359796554 1064456388 /nfs/dbraw/zinc/45/63/88/1064456388.db2.gz DCDUNAQAWWLYAG-NRFANRHFSA-N 0 0 485.648 4.560 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nc2ccccc2cc1Br ZINC001435041962 1064458183 /nfs/dbraw/zinc/45/81/83/1064458183.db2.gz AXPSOPCXJROAPX-OAHLLOKOSA-N 0 0 450.377 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359797163 1064458986 /nfs/dbraw/zinc/45/89/86/1064458986.db2.gz WJXPAWAVUVERSO-PMACEKPBSA-N 0 0 453.631 4.535 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001359797147 1064459002 /nfs/dbraw/zinc/45/90/02/1064459002.db2.gz WDTUKEVOHRUWMJ-SFHVURJKSA-N 0 0 451.606 4.577 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359797161 1064459013 /nfs/dbraw/zinc/45/90/13/1064459013.db2.gz WJOKNXVPNZGJJX-MHIUNMELSA-N 0 0 481.685 4.950 20 0 JJADRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001435042888 1064459907 /nfs/dbraw/zinc/45/99/07/1064459907.db2.gz PWKLIKLUYGCAPU-DENIHFKCSA-N 0 0 458.624 4.917 20 0 JJADRN CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001435042896 1064459947 /nfs/dbraw/zinc/45/99/47/1064459947.db2.gz PWKLIKLUYGCAPU-SIKLNZKXSA-N 0 0 458.624 4.917 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797757 1064460787 /nfs/dbraw/zinc/46/07/87/1064460787.db2.gz NFPCUAIUQUTUAV-HOTGVXAUSA-N 0 0 458.484 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001359798064 1064460817 /nfs/dbraw/zinc/46/08/17/1064460817.db2.gz CLIQVTABCVOHRV-GOEBONIOSA-N 0 0 456.475 4.859 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001435043669 1064460975 /nfs/dbraw/zinc/46/09/75/1064460975.db2.gz KFOPXVHQGFLVPT-CYBMUJFWSA-N 0 0 452.445 4.559 20 0 JJADRN COc1cc(C)c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1OC ZINC001359797842 1064460866 /nfs/dbraw/zinc/46/08/66/1064460866.db2.gz PRARYWSAPRNIAA-HUUCEWRRSA-N 0 0 452.473 4.897 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797759 1064460889 /nfs/dbraw/zinc/46/08/89/1064460889.db2.gz NFPCUAIUQUTUAV-IYBDPMFKSA-N 0 0 458.484 4.972 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2c(F)ccc(SCC3CC3)c2F)c1 ZINC001359798239 1064461437 /nfs/dbraw/zinc/46/14/37/1064461437.db2.gz WGKOCNFSDQFTPW-UHFFFAOYSA-N 0 0 454.926 4.749 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001435046616 1064462836 /nfs/dbraw/zinc/46/28/36/1064462836.db2.gz KCJSGJWTKZLEED-HYBUGGRVSA-N 0 0 450.023 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1C[C@@H]1CCCCS1 ZINC001545888371 1064462930 /nfs/dbraw/zinc/46/29/30/1064462930.db2.gz JBJGAMKWPYBZNK-YJBOKZPZSA-N 0 0 477.625 4.884 20 0 JJADRN CN(C)C(=O)Sc1cccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC001359799699 1064465857 /nfs/dbraw/zinc/46/58/57/1064465857.db2.gz QHGZXQCKLFDULK-UHFFFAOYSA-N 0 0 454.573 4.687 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cccc(F)c1 ZINC001359799190 1064465931 /nfs/dbraw/zinc/46/59/31/1064465931.db2.gz YPIDYVJMMZTKBH-UYAOXDASSA-N 0 0 459.610 4.598 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC001435048832 1064466273 /nfs/dbraw/zinc/46/62/73/1064466273.db2.gz HGZSHMYZTIWWDB-QHCPKHFHSA-N 0 0 450.922 4.903 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H](C)OCc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049409 1064467202 /nfs/dbraw/zinc/46/72/02/1064467202.db2.gz LWQGPFPLKPZHIA-GLDPYIMESA-N 0 0 455.574 4.501 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC(F)(F)Br ZINC001359800797 1064467889 /nfs/dbraw/zinc/46/78/89/1064467889.db2.gz KXAVNDASAZKWOP-SFHVURJKSA-N 0 0 475.353 4.553 20 0 JJADRN CN(C(=O)c1cc(Br)cnc1Br)[C@H](c1ccccc1)C(F)(F)F ZINC001435051369 1064469339 /nfs/dbraw/zinc/46/93/39/1064469339.db2.gz PMXSEOZTPRGZSA-GFCCVEGCSA-N 0 0 452.068 4.982 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359801913 1064469594 /nfs/dbraw/zinc/46/95/94/1064469594.db2.gz DGOVQRPWYMXHIN-HXUWFJFHSA-N 0 0 459.610 4.867 20 0 JJADRN O=C(COc1cccc(Br)c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC001435051706 1064469875 /nfs/dbraw/zinc/46/98/75/1064469875.db2.gz BGFICZNUNXNZFU-UHFFFAOYSA-N 0 0 458.283 4.929 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359802149 1064470603 /nfs/dbraw/zinc/47/06/03/1064470603.db2.gz IMUNKZVUZPDYET-QFIPXVFZSA-N 0 0 483.657 4.966 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359802409 1064470670 /nfs/dbraw/zinc/47/06/70/1064470670.db2.gz NNQDFRNPWNIQEL-UHFFFAOYSA-N 0 0 473.547 4.782 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001359802608 1064470840 /nfs/dbraw/zinc/47/08/40/1064470840.db2.gz RVDZJUDVGYBLMK-PXNSSMCTSA-N 0 0 457.420 4.518 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001435052731 1064471067 /nfs/dbraw/zinc/47/10/67/1064471067.db2.gz QLHWAGPYHITKCW-ZDUSSCGKSA-N 0 0 456.153 4.668 20 0 JJADRN Cc1cc(C(=O)NCC2(Sc3ccccc3)CC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001435053573 1064471736 /nfs/dbraw/zinc/47/17/36/1064471736.db2.gz VACKDOHSTPDAFC-UHFFFAOYSA-N 0 0 452.620 4.749 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC001435053662 1064472038 /nfs/dbraw/zinc/47/20/38/1064472038.db2.gz UVSRLGDDVWLPQF-HNNXBMFYSA-N 0 0 452.776 4.734 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1cc(Cl)ccc1I ZINC001359803340 1064472845 /nfs/dbraw/zinc/47/28/45/1064472845.db2.gz HFQGLRAYMQQCQW-UHFFFAOYSA-N 0 0 457.739 4.666 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001359805176 1064474494 /nfs/dbraw/zinc/47/44/94/1064474494.db2.gz KETIVSMPZJKIIO-JOCHJYFZSA-N 0 0 479.591 4.546 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359805955 1064475225 /nfs/dbraw/zinc/47/52/25/1064475225.db2.gz OSTPHQRSHDVWQS-LJQANCHMSA-N 0 0 474.675 4.717 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001359805964 1064475281 /nfs/dbraw/zinc/47/52/81/1064475281.db2.gz RSDKAZCZSKFQCB-CLAROIROSA-N 0 0 459.679 4.852 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001359806160 1064476187 /nfs/dbraw/zinc/47/61/87/1064476187.db2.gz QRKNRJIJDHOWRM-AZUAARDMSA-N 0 0 488.702 4.963 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3ccco3)C2)n1CCCCn1cc(Br)cn1 ZINC001359806585 1064476376 /nfs/dbraw/zinc/47/63/76/1064476376.db2.gz UGCDPHGMCAGWDV-KRWDZBQOSA-N 0 0 461.408 4.503 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1CCCN(C)CC(F)(F)F ZINC001359806980 1064477244 /nfs/dbraw/zinc/47/72/44/1064477244.db2.gz YZYBZPBSNALUIX-UHFFFAOYSA-N 0 0 477.579 4.621 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001359806883 1064477257 /nfs/dbraw/zinc/47/72/57/1064477257.db2.gz WUVPOCKXCOWYGI-DENIHFKCSA-N 0 0 452.977 4.909 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[C@H]1CCCCO1 ZINC001545888503 1064478071 /nfs/dbraw/zinc/47/80/71/1064478071.db2.gz OJBFSSLHWPBSDX-VQIMIIECSA-N 0 0 475.584 4.558 20 0 JJADRN O=C(NCc1ccnc(OCC2CC2)c1)c1ccc(COc2cccc(Br)c2)o1 ZINC001435060602 1064478830 /nfs/dbraw/zinc/47/88/30/1064478830.db2.gz HLIPQTGVYNJUQF-UHFFFAOYSA-N 0 0 457.324 4.735 20 0 JJADRN Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc1NC(=O)OC(C)(C)C ZINC001435060727 1064479004 /nfs/dbraw/zinc/47/90/04/1064479004.db2.gz NLVSDUPVZIYTAP-LJQANCHMSA-N 0 0 459.543 4.635 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCN(C)c1ccccc1 ZINC001359808262 1064479839 /nfs/dbraw/zinc/47/98/39/1064479839.db2.gz LGCKTAAKLWWTDJ-JOCHJYFZSA-N 0 0 484.689 4.696 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cccn3)CC2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001359808331 1064479908 /nfs/dbraw/zinc/47/99/08/1064479908.db2.gz MGDFLLTWRFSRLH-UHFFFAOYSA-N 0 0 476.547 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359809056 1064482649 /nfs/dbraw/zinc/48/26/49/1064482649.db2.gz GACPGQFKSLHUGI-SFHVURJKSA-N 0 0 481.563 4.895 20 0 JJADRN CCc1nc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)nn1-c1ccccc1Cl ZINC001359810078 1064484952 /nfs/dbraw/zinc/48/49/52/1064484952.db2.gz GYXDEMQPMULPMA-UHFFFAOYSA-N 0 0 454.958 4.743 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)c2ccccc2)cc1Br ZINC001359810300 1064485161 /nfs/dbraw/zinc/48/51/61/1064485161.db2.gz LQSJZWMEARIALK-VGOFRKELSA-N 0 0 454.368 4.517 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)CCc1ccc(F)cc1F)CCC2 ZINC001359810869 1064485172 /nfs/dbraw/zinc/48/51/72/1064485172.db2.gz ZXXOAJGWKSYPME-UHFFFAOYSA-N 0 0 455.457 4.835 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)cc1C ZINC001435065213 1064485332 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CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001435080567 1064502742 /nfs/dbraw/zinc/50/27/42/1064502742.db2.gz IPVDZTAPNPKUOG-CQSZACIVSA-N 0 0 453.377 4.945 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(C2)OCc2ccccc23)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359819119 1064502914 /nfs/dbraw/zinc/50/29/14/1064502914.db2.gz KLUWSZLJAXLGET-AMGIVPHBSA-N 0 0 483.657 4.662 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001359819450 1064503304 /nfs/dbraw/zinc/50/33/04/1064503304.db2.gz ZZASMOSAOXUWQI-UHFFFAOYSA-N 0 0 456.311 4.804 20 0 JJADRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001359820226 1064503712 /nfs/dbraw/zinc/50/37/12/1064503712.db2.gz JEJZJILCMTXUDR-QHCPKHFHSA-N 0 0 451.567 4.718 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001359820643 1064503801 /nfs/dbraw/zinc/50/38/01/1064503801.db2.gz SHSDDVITIFTSDX-IBGZPJMESA-N 0 0 452.498 4.881 20 0 JJADRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C 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4.762 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1Cc1cc(C(C)(C)C)no1 ZINC001545888668 1064507498 /nfs/dbraw/zinc/50/74/98/1064507498.db2.gz UBTCOZSSZIZTJY-UHFFFAOYSA-N 0 0 450.587 4.533 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001435089063 1064507601 /nfs/dbraw/zinc/50/76/01/1064507601.db2.gz RZIHCLWSGSXXHJ-IBGZPJMESA-N 0 0 454.929 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccccc3CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359825468 1064508149 /nfs/dbraw/zinc/50/81/49/1064508149.db2.gz HFYACMVAIGNBJH-HXUWFJFHSA-N 0 0 455.647 4.585 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccccc3C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359825725 1064508307 /nfs/dbraw/zinc/50/83/07/1064508307.db2.gz KABPTKKHRDLKTJ-HXUWFJFHSA-N 0 0 453.631 4.686 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1CC(C)(C)C1 ZINC001359826453 1064508396 /nfs/dbraw/zinc/50/83/96/1064508396.db2.gz ONHQJQDJTXUBMS-SFHVURJKSA-N 0 0 459.038 4.816 20 0 JJADRN CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCSCc1ccccc1 ZINC001359827094 1064509347 /nfs/dbraw/zinc/50/93/47/1064509347.db2.gz YGQJSQSNZHRKIO-UHFFFAOYSA-N 0 0 476.572 4.782 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC001435092866 1064509340 /nfs/dbraw/zinc/50/93/40/1064509340.db2.gz XTIFCGAGVWZOKD-XMMPIXPASA-N 0 0 457.496 4.604 20 0 JJADRN COc1ccc(-c2nc(COC(=O)c3cc(C)n(-c4ccc(Cl)cc4Cl)n3)no2)cc1 ZINC001435092618 1064509447 /nfs/dbraw/zinc/50/94/47/1064509447.db2.gz IMVKMCSLNOZUDD-UHFFFAOYSA-N 0 0 459.289 4.903 20 0 JJADRN CC(C)Cc1nnc(N2CCC=C(Br)C2)n1CCCN(C)c1ccccc1F ZINC001359827011 1064509533 /nfs/dbraw/zinc/50/95/33/1064509533.db2.gz TXBWHMDWCMOZSZ-UHFFFAOYSA-N 0 0 450.400 4.631 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001359827118 1064509563 /nfs/dbraw/zinc/50/95/63/1064509563.db2.gz VCKAYUZOUYZIKL-IBGZPJMESA-N 0 0 450.553 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359827424 1064509612 /nfs/dbraw/zinc/50/96/12/1064509612.db2.gz ZSUCEPIGXFIRDN-IRXDYDNUSA-N 0 0 461.573 4.805 20 0 JJADRN Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001435095686 1064510995 /nfs/dbraw/zinc/51/09/95/1064510995.db2.gz NCEVHYZGOMBVPD-RTWAWAEBSA-N 0 0 457.368 4.662 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc(Br)cc(C)c3o2)c1 ZINC001359829933 1064511374 /nfs/dbraw/zinc/51/13/74/1064511374.db2.gz XNHRIRZGINRFMI-QGZVFWFLSA-N 0 0 459.365 4.966 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)cc(F)c2Br)c1 ZINC001359829827 1064511541 /nfs/dbraw/zinc/51/15/41/1064511541.db2.gz VSSXVZPFRBWWKW-OAHLLOKOSA-N 0 0 457.752 4.704 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435096699 1064511687 /nfs/dbraw/zinc/51/16/87/1064511687.db2.gz UHFVFBZFZQDAQG-PZJWPPBQSA-N 0 0 456.608 4.731 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)CCSc2ccc(F)cc2)c2ccc(Cl)cc2)CCO1 ZINC001435097153 1064512151 /nfs/dbraw/zinc/51/21/51/1064512151.db2.gz XNRSECTUQMDIOV-NRFANRHFSA-N 0 0 451.007 4.930 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC001359829970 1064512043 /nfs/dbraw/zinc/51/20/43/1064512043.db2.gz XRUZAYHZHMYKGY-QFIPXVFZSA-N 0 0 452.507 4.780 20 0 JJADRN CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001435096871 1064512097 /nfs/dbraw/zinc/51/20/97/1064512097.db2.gz KJYWMHPVPOEEMI-UHFFFAOYSA-N 0 0 452.765 4.831 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(F)c(I)c1 ZINC001435097267 1064512286 /nfs/dbraw/zinc/51/22/86/1064512286.db2.gz XOVRRXMEOKHSHY-LBPRGKRZSA-N 0 0 459.324 4.597 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCNc1ncc(Cl)cc1Cl ZINC001359830306 1064512474 /nfs/dbraw/zinc/51/24/74/1064512474.db2.gz GPRFLQYXECPUKZ-QZTJIDSGSA-N 0 0 481.472 4.934 20 0 JJADRN O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001435098358 1064512873 /nfs/dbraw/zinc/51/28/73/1064512873.db2.gz NIECBJKLFFWMEG-NRFANRHFSA-N 0 0 450.963 4.535 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001359830313 1064513114 /nfs/dbraw/zinc/51/31/14/1064513114.db2.gz GTRMOWPLLQPDLX-NRFANRHFSA-N 0 0 465.646 4.676 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001359830591 1064513272 /nfs/dbraw/zinc/51/32/72/1064513272.db2.gz MPCMIWQFJIQDMT-OALUTQOASA-N 0 0 481.632 4.995 20 0 JJADRN CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC001435099026 1064513269 /nfs/dbraw/zinc/51/32/69/1064513269.db2.gz HHYIFFVAESFLPJ-PVARCSIZSA-N 0 0 451.430 4.529 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1Cc1ccccc1Br ZINC001359830866 1064513546 /nfs/dbraw/zinc/51/35/46/1064513546.db2.gz SBLCLHOGYQXXQQ-OALUTQOASA-N 0 0 461.448 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001359830713 1064513651 /nfs/dbraw/zinc/51/36/51/1064513651.db2.gz PHLTUPFURSKKDV-JKSUJKDBSA-N 0 0 454.512 4.724 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001359830592 1064513682 /nfs/dbraw/zinc/51/36/82/1064513682.db2.gz MPCMIWQFJIQDMT-RBUKOAKNSA-N 0 0 481.632 4.995 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCN1CCOC(C)(C)C1 ZINC001359830869 1064513766 /nfs/dbraw/zinc/51/37/66/1064513766.db2.gz SCIAGCKFPRGLNQ-FQEVSTJZSA-N 0 0 474.719 4.551 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001435099359 1064513774 /nfs/dbraw/zinc/51/37/74/1064513774.db2.gz MQEFNSPBMVTXAW-WHSLLNHNSA-N 0 0 454.596 4.590 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359830960 1064514139 /nfs/dbraw/zinc/51/41/39/1064514139.db2.gz UJLGCLFYZUZRKX-YTFSRNRJSA-N 0 0 489.705 4.767 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001435101106 1064514162 /nfs/dbraw/zinc/51/41/62/1064514162.db2.gz SGKRVQQQAAZGKU-VPUINMBXSA-N 0 0 450.969 4.659 20 0 JJADRN CC(C)[C@H](C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435101245 1064514362 /nfs/dbraw/zinc/51/43/62/1064514362.db2.gz PRUHAHKNDZFPFB-APWZRJJASA-N 0 0 450.576 4.802 20 0 JJADRN O=C(c1cc(N2CCOC2=O)ccc1F)N1CCCc2cc(Br)cc(Cl)c21 ZINC001435101989 1064514876 /nfs/dbraw/zinc/51/48/76/1064514876.db2.gz RMZROFJRVPQJPN-UHFFFAOYSA-N 0 0 453.695 4.791 20 0 JJADRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)cc1 ZINC001435101603 1064514944 /nfs/dbraw/zinc/51/49/44/1064514944.db2.gz WNSOODCDIXFSFB-UHFFFAOYSA-N 0 0 457.939 4.563 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001435102802 1064514991 /nfs/dbraw/zinc/51/49/91/1064514991.db2.gz FKBNJXMJFMVLQN-FQEVSTJZSA-N 0 0 450.576 4.533 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCOc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107211 1064516661 /nfs/dbraw/zinc/51/66/61/1064516661.db2.gz BKHAUTXGEKOHCJ-WXVAWEFUSA-N 0 0 450.623 4.776 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CCCS1(=O)=O ZINC001435107650 1064517194 /nfs/dbraw/zinc/51/71/94/1064517194.db2.gz BCBCHJGKBWUJBS-GOSISDBHSA-N 0 0 458.761 4.801 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H](C)Sc1ccccc1 ZINC001359832863 1064517267 /nfs/dbraw/zinc/51/72/67/1064517267.db2.gz PTTFBPAAYUWJDR-LEWJYISDSA-N 0 0 457.688 4.646 20 0 JJADRN CCc1c(C(=O)NCCc2ccc(Br)cc2F)cnn1-c1cccc(Cl)c1 ZINC001435107601 1064517397 /nfs/dbraw/zinc/51/73/97/1064517397.db2.gz FZFIXVMHFMHIML-UHFFFAOYSA-N 0 0 450.739 4.962 20 0 JJADRN Cc1ccc([C@H](NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)c2ccc(F)cc2Cl)cc1 ZINC001435107838 1064517810 /nfs/dbraw/zinc/51/78/10/1064517810.db2.gz GTOJJAMDQZYGGL-FYSMJZIKSA-N 0 0 452.913 4.807 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001359833025 1064517992 /nfs/dbraw/zinc/51/79/92/1064517992.db2.gz SCZBPNYAPQSZLV-OALUTQOASA-N 0 0 453.622 4.681 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001435108740 1064518218 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CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001435112592 1064521543 /nfs/dbraw/zinc/52/15/43/1064521543.db2.gz NOHFKQQZRWNYST-JOCHJYFZSA-N 0 0 459.539 4.616 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCCOc1ccc(F)cc1 ZINC001359835211 1064521994 /nfs/dbraw/zinc/52/19/94/1064521994.db2.gz UQBVKQSYTAYNOC-NRFANRHFSA-N 0 0 471.552 4.667 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001359835636 1064523224 /nfs/dbraw/zinc/52/32/24/1064523224.db2.gz YVXMFKVYRVHTMY-RTWAWAEBSA-N 0 0 457.638 4.926 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001435116041 1064523460 /nfs/dbraw/zinc/52/34/60/1064523460.db2.gz LCFFBKHJHGRKGD-UHFFFAOYSA-N 0 0 453.951 4.776 20 0 JJADRN O=C(CCNC(=O)c1ccsc1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001435115935 1064523525 /nfs/dbraw/zinc/52/35/25/1064523525.db2.gz KKMBTACBYJKNAE-UHFFFAOYSA-N 0 0 453.417 4.852 20 0 JJADRN COc1cc(Br)ccc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001359837397 1064524332 /nfs/dbraw/zinc/52/43/32/1064524332.db2.gz DPKQCKOZCZTTQF-SPLOXXLWSA-N 0 0 455.393 4.661 20 0 JJADRN Cc1cccc(CC(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)c1Br ZINC001359837746 1064524670 /nfs/dbraw/zinc/52/46/70/1064524670.db2.gz MBQZNSHKHKIISP-OPAMFIHVSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)c3cc(Br)cnc3OCC3CC3)s2)cc1 ZINC001435116902 1064524908 /nfs/dbraw/zinc/52/49/08/1064524908.db2.gz XTMCQRFDUJAGBJ-UHFFFAOYSA-N 0 0 459.369 4.636 20 0 JJADRN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CCSc1ccccc1Br)C1CC1 ZINC001359837934 1064524728 /nfs/dbraw/zinc/52/47/28/1064524728.db2.gz QHJGKBVORIVBJU-FQEVSTJZSA-N 0 0 457.434 4.741 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ccnc(OCC3CC3)c2)cc1 ZINC001359838259 1064525159 /nfs/dbraw/zinc/52/51/59/1064525159.db2.gz XATOFNXXYDEVMK-UHFFFAOYSA-N 0 0 453.589 4.593 20 0 JJADRN CC(C)Cc1nnc(N2CCCc3sccc3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359838573 1064525308 /nfs/dbraw/zinc/52/53/08/1064525308.db2.gz DVBIRNPPCQGDLV-GOSISDBHSA-N 0 0 461.676 4.994 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](C)SCc3nc4ccccc4c(=O)[nH]3)s2)c1 ZINC001435118297 1064525366 /nfs/dbraw/zinc/52/53/66/1064525366.db2.gz GUYMOBNWTWRYTR-AWEZNQCLSA-N 0 0 451.577 4.731 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)CCC1 ZINC001435118314 1064525493 /nfs/dbraw/zinc/52/54/93/1064525493.db2.gz HFAQCYACPZWOPK-UHFFFAOYSA-N 0 0 457.954 4.730 20 0 JJADRN CC(C)Cc1nnc(N2CCCC3(CCOCC3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359839262 1064525761 /nfs/dbraw/zinc/52/57/61/1064525761.db2.gz OIXBOAWZIZMTPR-NRFANRHFSA-N 0 0 475.678 4.521 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCCC3)cc2)no1 ZINC001435119437 1064525992 /nfs/dbraw/zinc/52/59/92/1064525992.db2.gz ROZZJACGWCOXOQ-NRFANRHFSA-N 0 0 458.559 4.759 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001435118826 1064526025 /nfs/dbraw/zinc/52/60/25/1064526025.db2.gz BZFFCDFPZQVBDC-QHCPKHFHSA-N 0 0 454.567 4.502 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)OC(C)(C)C ZINC001435119933 1064526409 /nfs/dbraw/zinc/52/64/09/1064526409.db2.gz ONKIQAXDSFEHCB-OAQYLSRUSA-N 0 0 459.970 4.832 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1Cc1nc(C(C)C)cs1 ZINC001359840353 1064526785 /nfs/dbraw/zinc/52/67/85/1064526785.db2.gz BNTHOOMMFQAJNJ-UHFFFAOYSA-N 0 0 498.672 4.525 20 0 JJADRN C[C@@H](CN(C)C(=O)c1cc(Br)ccc1I)c1ccccc1 ZINC001359840289 1064526819 /nfs/dbraw/zinc/52/68/19/1064526819.db2.gz ZJDWFNXPFKUZJY-LBPRGKRZSA-N 0 0 458.137 4.929 20 0 JJADRN CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001359840553 1064526949 /nfs/dbraw/zinc/52/69/49/1064526949.db2.gz JWRPBVNMGNVHNB-GUDVDZBRSA-N 0 0 465.063 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359840437 1064527083 /nfs/dbraw/zinc/52/70/83/1064527083.db2.gz FUWLIRVIGOJRIZ-UHFFFAOYSA-N 0 0 486.730 4.898 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCC(C)(C)c2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435121281 1064527351 /nfs/dbraw/zinc/52/73/51/1064527351.db2.gz SHFGYBIEMZIDAE-FPOVZHCZSA-N 0 0 450.476 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359840838 1064527725 /nfs/dbraw/zinc/52/77/25/1064527725.db2.gz SFOSCVHMZVUFLP-RTWAWAEBSA-N 0 0 488.076 4.688 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccc(OC(F)F)c1 ZINC001435122568 1064528653 /nfs/dbraw/zinc/52/86/53/1064528653.db2.gz FRRNRBCJHOXFOL-UHFFFAOYSA-N 0 0 453.413 4.792 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(OC(F)F)c1 ZINC001359841965 1064529153 /nfs/dbraw/zinc/52/91/53/1064529153.db2.gz IKUVWOWWWYDWTI-UHFFFAOYSA-N 0 0 451.429 4.974 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001435122980 1064529195 /nfs/dbraw/zinc/52/91/95/1064529195.db2.gz FAJCBXXEKCDRBC-JWQCQUIFSA-N 0 0 451.542 4.849 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC001359843017 1064529845 /nfs/dbraw/zinc/52/98/45/1064529845.db2.gz OMAIBWXLBHYLIN-HTAPYJJXSA-N 0 0 450.507 4.756 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001359844145 1064529982 /nfs/dbraw/zinc/52/99/82/1064529982.db2.gz LNZQOPRFZNCOPC-XUTJKUGGSA-N 0 0 458.050 4.943 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1cccc(O)c1 ZINC001545888792 1064530013 /nfs/dbraw/zinc/53/00/13/1064530013.db2.gz XVVSHIMIJWIZRS-HXUWFJFHSA-N 0 0 453.612 4.526 20 0 JJADRN CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125212 1064530707 /nfs/dbraw/zinc/53/07/07/1064530707.db2.gz PICVFHHPAQMEHP-CQSZACIVSA-N 0 0 458.502 4.615 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1)C(C)C ZINC001435125080 1064530747 /nfs/dbraw/zinc/53/07/47/1064530747.db2.gz IETZYCSJLJHIEM-HSZRJFAPSA-N 0 0 457.983 4.664 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2c(Br)cnn2CC)cc1 ZINC001435124974 1064530802 /nfs/dbraw/zinc/53/08/02/1064530802.db2.gz VULOVPURXGJCTR-MOPGFXCFSA-N 0 0 450.377 4.574 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)o2)cc1 ZINC001435125603 1064531170 /nfs/dbraw/zinc/53/11/70/1064531170.db2.gz LBFFGIQCIPQDHZ-UHFFFAOYSA-N 0 0 457.983 4.972 20 0 JJADRN C/C(=C\C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC001359845410 1064531233 /nfs/dbraw/zinc/53/12/33/1064531233.db2.gz NONGZKWCWDGFKR-WYMLVPIESA-N 0 0 454.851 4.886 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cnn(-c3nc(CC)cs3)c2)cc1 ZINC001435125271 1064531185 /nfs/dbraw/zinc/53/11/85/1064531185.db2.gz XMFWCBYRUUPLLJ-FCHUYYIVSA-N 0 0 454.596 4.800 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC[C@H](C)c1ccccc1 ZINC001359846323 1064531781 /nfs/dbraw/zinc/53/17/81/1064531781.db2.gz SZDMOBJLBCJKBV-FQEVSTJZSA-N 0 0 451.640 4.694 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001435125899 1064531887 /nfs/dbraw/zinc/53/18/87/1064531887.db2.gz KWXWRVITBTUHDO-DYESRHJHSA-N 0 0 451.535 4.863 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001435125905 1064531903 /nfs/dbraw/zinc/53/19/03/1064531903.db2.gz KWXWRVITBTUHDO-UTKZUKDTSA-N 0 0 451.535 4.863 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359846168 1064531811 /nfs/dbraw/zinc/53/18/11/1064531811.db2.gz OGPHNTPOQKUHAY-VWNXMTODSA-N 0 0 473.706 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359846257 1064531854 /nfs/dbraw/zinc/53/18/54/1064531854.db2.gz RAYFGCGHDIPJOZ-RUZDIDTESA-N 0 0 480.701 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001359846184 1064532006 /nfs/dbraw/zinc/53/20/06/1064532006.db2.gz OZFZECLYULXFNU-HXUWFJFHSA-N 0 0 458.050 4.919 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001359846640 1064532388 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ZWAZEGHDEGOEDP-LJQANCHMSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(C)c1Br ZINC001435129204 1064534444 /nfs/dbraw/zinc/53/44/44/1064534444.db2.gz GWPDQZSWYMGFSJ-OAHLLOKOSA-N 0 0 453.327 4.984 20 0 JJADRN COc1ccc(CCN(CC(C)C)C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)cc1OC ZINC001435128785 1064534491 /nfs/dbraw/zinc/53/44/91/1064534491.db2.gz VWVDFWWRWNNXFL-UHFFFAOYSA-N 0 0 455.521 4.690 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001435128967 1064534512 /nfs/dbraw/zinc/53/45/12/1064534512.db2.gz WXGAXQLHECDHEM-GOSISDBHSA-N 0 0 455.393 4.661 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001359848860 1064534945 /nfs/dbraw/zinc/53/49/45/1064534945.db2.gz CYDZMOIFAYLADJ-QZTJIDSGSA-N 0 0 452.619 4.642 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)cc2)c1 ZINC001435129217 1064534928 /nfs/dbraw/zinc/53/49/28/1064534928.db2.gz HKNGJYFEEWCLBH-UHFFFAOYSA-N 0 0 456.586 4.994 20 0 JJADRN O=C(CCc1nc2cc(Cl)ccc2s1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001435129255 1064535122 /nfs/dbraw/zinc/53/51/22/1064535122.db2.gz IVFYDISYYSBUAI-AWEZNQCLSA-N 0 0 451.926 4.879 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1)c1ccccc1 ZINC001435130802 1064535471 /nfs/dbraw/zinc/53/54/71/1064535471.db2.gz YCEYHYPGTUILET-HXUWFJFHSA-N 0 0 451.473 4.549 20 0 JJADRN Cc1cc(C)c(C(=O)NCCc2ccc(Br)cc2)cc1I ZINC001435130202 1064535634 /nfs/dbraw/zinc/53/56/34/1064535634.db2.gz GNVLCYCZRMSPGJ-UHFFFAOYSA-N 0 0 458.137 4.643 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCc1ccc(Br)s1 ZINC001359849580 1064535865 /nfs/dbraw/zinc/53/58/65/1064535865.db2.gz LVHVSSWFPFNOIG-UHFFFAOYSA-N 0 0 474.472 5.000 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1cc(C2CC2)ccc1F ZINC001359850752 1064537169 /nfs/dbraw/zinc/53/71/69/1064537169.db2.gz VVMJYXGVYQPPPR-INIZCTEOSA-N 0 0 453.528 4.614 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1Cc1nc(C(C)C)cs1 ZINC001359850686 1064537266 /nfs/dbraw/zinc/53/72/66/1064537266.db2.gz YEYAZWJXEYBQBS-UHFFFAOYSA-N 0 0 460.598 4.710 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H]1c1cccc(Cl)c1 ZINC001435134752 1064537335 /nfs/dbraw/zinc/53/73/35/1064537335.db2.gz GNKPRIVSPUQSED-FYYLOGMGSA-N 0 0 459.011 4.910 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359850808 1064537773 /nfs/dbraw/zinc/53/77/73/1064537773.db2.gz XJLNRLNEPZDDGU-SFHVURJKSA-N 0 0 490.624 4.509 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001435133904 1064537726 /nfs/dbraw/zinc/53/77/26/1064537726.db2.gz KTTUNQTUNOQTPZ-UHFFFAOYSA-N 0 0 450.966 4.713 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H]1c1cccc(Cl)c1 ZINC001435134757 1064538451 /nfs/dbraw/zinc/53/84/51/1064538451.db2.gz GNKPRIVSPUQSED-GMAHTHKFSA-N 0 0 459.011 4.910 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001359851476 1064538548 /nfs/dbraw/zinc/53/85/48/1064538548.db2.gz KFNBLPQORDMAGN-SFHVURJKSA-N 0 0 451.748 4.517 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC001435135585 1064539011 /nfs/dbraw/zinc/53/90/11/1064539011.db2.gz VCYBMFYBCCJFMT-GOSISDBHSA-N 0 0 458.427 4.908 20 0 JJADRN O=C(Cc1ccc(OC(F)F)cc1)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC001359851768 1064539032 /nfs/dbraw/zinc/53/90/32/1064539032.db2.gz NESZNWGWMUOJMJ-JOCHJYFZSA-N 0 0 454.448 4.956 20 0 JJADRN Cc1cc(C(=O)Oc2c(Cl)cc(Br)cc2Cl)nn1-c1nc(C)cc(C)n1 ZINC001435136666 1064539218 /nfs/dbraw/zinc/53/92/18/1064539218.db2.gz ASOBGOLNMNGJEB-UHFFFAOYSA-N 0 0 456.127 4.876 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(Br)c1C ZINC001359852489 1064539622 /nfs/dbraw/zinc/53/96/22/1064539622.db2.gz UTGVHPDMMMKEAC-UHFFFAOYSA-N 0 0 454.162 4.587 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c(C)c1 ZINC001435137815 1064539764 /nfs/dbraw/zinc/53/97/64/1064539764.db2.gz UOUGIKGVJBOACQ-LEWJYISDSA-N 0 0 450.604 4.704 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c(C)c1 ZINC001435137822 1064539857 /nfs/dbraw/zinc/53/98/57/1064539857.db2.gz UOUGIKGVJBOACQ-NHCUHLMSSA-N 0 0 450.604 4.704 20 0 JJADRN Cc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccc(F)cc2)o1 ZINC001435138101 1064539950 /nfs/dbraw/zinc/53/99/50/1064539950.db2.gz XOLLOQALXKBWHM-UHFFFAOYSA-N 0 0 456.539 4.749 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)NCCCc2cccc(Br)c2)c1C(F)F ZINC001435137192 1064539970 /nfs/dbraw/zinc/53/99/70/1064539970.db2.gz RYXFPPYZEJNEDR-UHFFFAOYSA-N 0 0 454.237 4.985 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)NCCCc3cccc(Br)c3)no2)c1 ZINC001435138421 1064540372 /nfs/dbraw/zinc/54/03/72/1064540372.db2.gz XAKYLCASDNOULC-UHFFFAOYSA-N 0 0 457.324 4.581 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc4c(cccc4Cl)s3)CC2)cc1 ZINC001435138549 1064540445 /nfs/dbraw/zinc/54/04/45/1064540445.db2.gz IINITKXXFWHRQT-INIZCTEOSA-N 0 0 456.995 4.869 20 0 JJADRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001435138556 1064540464 /nfs/dbraw/zinc/54/04/64/1064540464.db2.gz IUVCMZITQNYHJQ-OAQYLSRUSA-N 0 0 456.384 4.761 20 0 JJADRN CS(=O)(=O)c1ccc(CCC(=O)Oc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001435140132 1064540780 /nfs/dbraw/zinc/54/07/80/1064540780.db2.gz VBUSUZPBMRTUPX-UHFFFAOYSA-N 0 0 452.153 4.698 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCOCc1ccccc1 ZINC001359853602 1064540846 /nfs/dbraw/zinc/54/08/46/1064540846.db2.gz KTFLQDUSTKXGOL-UHFFFAOYSA-N 0 0 489.451 4.722 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359854139 1064541231 /nfs/dbraw/zinc/54/12/31/1064541231.db2.gz PXAFXUMWWSEHGE-IAGOWNOFSA-N 0 0 454.516 4.631 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC001435140729 1064541429 /nfs/dbraw/zinc/54/14/29/1064541429.db2.gz GCLMLOUDNCHSGE-NLFFAJNJSA-N 0 0 457.574 4.641 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC001359854907 1064542467 /nfs/dbraw/zinc/54/24/67/1064542467.db2.gz VMBONRUZQKDGHV-UHFFFAOYSA-N 0 0 457.596 4.688 20 0 JJADRN C[C@@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)c1cn(C)c2ccccc12 ZINC001435142796 1064542976 /nfs/dbraw/zinc/54/29/76/1064542976.db2.gz JJLGIWOLQCADDX-MSOLQXFVSA-N 0 0 454.412 4.950 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@H]3C)CC2)cc1 ZINC001435142844 1064543187 /nfs/dbraw/zinc/54/31/87/1064543187.db2.gz MKBVPUQURPCCBF-HYBUGGRVSA-N 0 0 454.636 4.615 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCC2)CC1 ZINC001435143279 1064543639 /nfs/dbraw/zinc/54/36/39/1064543639.db2.gz MABSLEMQSXULOT-QFIPXVFZSA-N 0 0 458.549 4.699 20 0 JJADRN Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCC(C)(C)c3cccs3)nc2n1 ZINC001435143711 1064544320 /nfs/dbraw/zinc/54/43/20/1064544320.db2.gz YNNGMUBMHXWHGY-UHFFFAOYSA-N 0 0 451.621 4.803 20 0 JJADRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001435145770 1064546410 /nfs/dbraw/zinc/54/64/10/1064546410.db2.gz BFZSMTSUQTWGHX-LZJOCLMNSA-N 0 0 454.617 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2nncc3ccccc32)c2ccccc2F)CC1 ZINC001435145999 1064546468 /nfs/dbraw/zinc/54/64/68/1064546468.db2.gz WKUKZNWUDSCQKA-UHFFFAOYSA-N 0 0 450.514 4.815 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3ccnn3-c3ccccc3C)cc2)c(C)c1Br ZINC001435146094 1064546978 /nfs/dbraw/zinc/54/69/78/1064546978.db2.gz PWOCZFLTFRBNRY-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCN(C(=O)COc1ccccc1OC)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001359859134 1064547359 /nfs/dbraw/zinc/54/73/59/1064547359.db2.gz WJQQWMUYAQWFEL-HSZRJFAPSA-N 0 0 455.352 4.870 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)Nc1cccc(Cl)c1SCC(F)F ZINC001435147357 1064547563 /nfs/dbraw/zinc/54/75/63/1064547563.db2.gz GDKJHHOPTOXSCA-UHFFFAOYSA-N 0 0 455.836 4.624 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)sc21 ZINC001435147606 1064547741 /nfs/dbraw/zinc/54/77/41/1064547741.db2.gz HBOLHPKVOYQDAY-UHFFFAOYSA-N 0 0 456.911 4.666 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)C2(c3ccc(I)cc3)CC2)cc1 ZINC001359860047 1064548795 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460.047 4.593 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001435154223 1064551993 /nfs/dbraw/zinc/55/19/93/1064551993.db2.gz HCJBCTKORKAMAC-HSZRJFAPSA-N 0 0 457.636 4.754 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ccc1F ZINC001435154551 1064552718 /nfs/dbraw/zinc/55/27/18/1064552718.db2.gz ISXYFBFTELXRTP-FIKMYACPSA-N 0 0 452.979 4.637 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cn1)c1ccccc1 ZINC001435156264 1064553694 /nfs/dbraw/zinc/55/36/94/1064553694.db2.gz CWKKWHPUNOONTD-SANMLTNESA-N 0 0 451.526 4.878 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c(C)n1 ZINC001435156286 1064553708 /nfs/dbraw/zinc/55/37/08/1064553708.db2.gz DKBZALBBMGEOJL-CLOONOSVSA-N 0 0 458.606 4.540 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC001435156217 1064553783 /nfs/dbraw/zinc/55/37/83/1064553783.db2.gz CJKRTUVDNSVELW-QFIPXVFZSA-N 0 0 452.501 4.568 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccn(-c2ccccc2Cl)n1)c1ccccc1 ZINC001435156302 1064553796 /nfs/dbraw/zinc/55/37/96/1064553796.db2.gz DPMCVKIYSMNCNZ-QHCPKHFHSA-N 0 0 458.949 4.530 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864047 1064554019 /nfs/dbraw/zinc/55/40/19/1064554019.db2.gz FGPOXRXSTIWKNF-IBGZPJMESA-N 0 0 497.562 4.834 20 0 JJADRN COc1cc(N(C)C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc(OC)c1OC ZINC001435157235 1064554220 /nfs/dbraw/zinc/55/42/20/1064554220.db2.gz UKJSBAIUVLHTSM-UHFFFAOYSA-N 0 0 454.748 4.823 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001435158054 1064554731 /nfs/dbraw/zinc/55/47/31/1064554731.db2.gz PHZCCKYMAPSKDF-JGCGQSQUSA-N 0 0 456.514 4.824 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359865726 1064555702 /nfs/dbraw/zinc/55/57/02/1064555702.db2.gz HXQMNEUWXLXWIS-CVEARBPZSA-N 0 0 484.066 4.683 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(F)c(I)c2)c1 ZINC001435160047 1064555793 /nfs/dbraw/zinc/55/57/93/1064555793.db2.gz GOPRZMZHLFSVCU-DEOSSOPVSA-N 0 0 459.324 4.730 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)COCCc2ccc(Br)cc2)c2ccccn2)cc1 ZINC001435160000 1064555826 /nfs/dbraw/zinc/55/58/26/1064555826.db2.gz FUSFQHNXNOMIOS-QHCPKHFHSA-N 0 0 453.380 4.812 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)C(C)(C)C ZINC001435160980 1064556967 /nfs/dbraw/zinc/55/69/67/1064556967.db2.gz AKTIIDPSDSXBAE-ZDUSSCGKSA-N 0 0 454.390 4.910 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H]1c1ccccc1 ZINC001435161600 1064557422 /nfs/dbraw/zinc/55/74/22/1064557422.db2.gz BWOLDOJMTDQOQV-LUQKVYGDSA-N 0 0 459.409 4.507 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)[C@@H]1C ZINC001435161446 1064557521 /nfs/dbraw/zinc/55/75/21/1064557521.db2.gz JREHFVXXGMDDNB-RKDXNWHRSA-N 0 0 454.852 4.843 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001359866394 1064557525 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NARKSOVUVCPNRM-UHFFFAOYSA-N 0 0 454.477 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCc1cccs1 ZINC001359866675 1064558495 /nfs/dbraw/zinc/55/84/95/1064558495.db2.gz WWJTWSPIMLDCAT-FQEVSTJZSA-N 0 0 462.566 4.960 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCc1cccs1 ZINC001359866676 1064558722 /nfs/dbraw/zinc/55/87/22/1064558722.db2.gz WWJTWSPIMLDCAT-HXUWFJFHSA-N 0 0 462.566 4.960 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435162800 1064559016 /nfs/dbraw/zinc/55/90/16/1064559016.db2.gz PQQRFDSULMCTNY-UHFFFAOYSA-N 0 0 459.188 4.973 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC001435163384 1064559452 /nfs/dbraw/zinc/55/94/52/1064559452.db2.gz XXKIOXDIAGKQKV-INCQDFKNSA-N 0 0 450.963 4.518 20 0 JJADRN CCc1c(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cnn1-c1ccccc1 ZINC001435163522 1064559525 /nfs/dbraw/zinc/55/95/25/1064559525.db2.gz UONCQTMBZKSRCD-UHFFFAOYSA-N 0 0 454.353 4.968 20 0 JJADRN COc1ccc(NC(=O)CCN(Cc2ccccc2)C(C)=O)cc1NC(=O)C1CCCCC1 ZINC001435163946 1064560135 /nfs/dbraw/zinc/56/01/35/1064560135.db2.gz XLASIFLBSMPAKF-UHFFFAOYSA-N 0 0 451.567 4.591 20 0 JJADRN Cc1cc(C(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)ccc1NC(=O)OC(C)(C)C ZINC001359868332 1064560054 /nfs/dbraw/zinc/56/00/54/1064560054.db2.gz MHAIQVUTJIJXJJ-UHFFFAOYSA-N 0 0 450.495 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001359868202 1064560248 /nfs/dbraw/zinc/56/02/48/1064560248.db2.gz IRAKPJPXLIAIPK-PXNSSMCTSA-N 0 0 456.566 4.504 20 0 JJADRN Cc1sc2ncn(CC(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)c(=O)c2c1C ZINC001435164611 1064560474 /nfs/dbraw/zinc/56/04/74/1064560474.db2.gz SRCHBNQRYILMKP-UHFFFAOYSA-N 0 0 453.951 4.946 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)ccc2Br ZINC001435164560 1064560584 /nfs/dbraw/zinc/56/05/84/1064560584.db2.gz RNYPIBSQZZNWLU-STQMWFEESA-N 0 0 451.361 4.974 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc(Br)c2)c2ccc(OC)cc2OC)cc1 ZINC001435164936 1064560653 /nfs/dbraw/zinc/56/06/53/1064560653.db2.gz DNSDWGGFKUNHOB-QFIPXVFZSA-N 0 0 456.336 4.994 20 0 JJADRN CCOC(=O)c1sc(N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)nc1C ZINC001359868481 1064560552 /nfs/dbraw/zinc/56/05/52/1064560552.db2.gz ONNCKCNUMBHGDR-UHFFFAOYSA-N 0 0 456.568 4.907 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)CCCc2ccc(Br)s2)C2CC2)nc1C ZINC001359868662 1064560666 /nfs/dbraw/zinc/56/06/66/1064560666.db2.gz RQWZXFGVMICHCO-UHFFFAOYSA-N 0 0 457.415 4.971 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359868519 1064560759 /nfs/dbraw/zinc/56/07/59/1064560759.db2.gz LTHPJELNRWGVNY-JKFKMHIGSA-N 0 0 462.585 4.784 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC001435164987 1064561084 /nfs/dbraw/zinc/56/10/84/1064561084.db2.gz FUIKKUPREFPPIF-UHFFFAOYSA-N 0 0 452.551 4.703 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC(F)(F)Br ZINC001359868744 1064561388 /nfs/dbraw/zinc/56/13/88/1064561388.db2.gz NUUVNQYIXZREEV-HNNXBMFYSA-N 0 0 481.744 4.835 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Cl)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359869310 1064561560 /nfs/dbraw/zinc/56/15/60/1064561560.db2.gz VXCYHNSGQNSQOK-NQIIRXRSSA-N 0 0 492.064 4.869 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[C@@H]1CCCCO1 ZINC001359869284 1064561819 /nfs/dbraw/zinc/56/18/19/1064561819.db2.gz VNXMHELNZHHNKA-OALUTQOASA-N 0 0 461.676 4.768 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001435166684 1064562062 /nfs/dbraw/zinc/56/20/62/1064562062.db2.gz QDPDZRPCPWDDPP-UHFFFAOYSA-N 0 0 454.473 4.605 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@@H]1CSCCS1 ZINC001359869510 1064562118 /nfs/dbraw/zinc/56/21/18/1064562118.db2.gz ZQJZJNRVYJTERG-IAGOWNOFSA-N 0 0 481.757 4.657 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001435166944 1064562575 /nfs/dbraw/zinc/56/25/75/1064562575.db2.gz WFGYCXJWVMHFTR-DLBZAZTESA-N 0 0 457.395 4.559 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001359871344 1064562770 /nfs/dbraw/zinc/56/27/70/1064562770.db2.gz WZGSYQOBKIDQBZ-XMMPIXPASA-N 0 0 461.050 4.967 20 0 JJADRN CCN(C(=O)c1ccc(N2CCOCC2)c(C)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359870433 1064562813 /nfs/dbraw/zinc/56/28/13/1064562813.db2.gz IRLYXHRQPJWWCX-VWLOTQADSA-N 0 0 451.517 4.757 20 0 JJADRN CCN(C(=O)c1ccc(N2CCOCC2)c(C)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359870432 1064562873 /nfs/dbraw/zinc/56/28/73/1064562873.db2.gz IRLYXHRQPJWWCX-RUZDIDTESA-N 0 0 451.517 4.757 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cc1C ZINC001435167578 1064563055 /nfs/dbraw/zinc/56/30/55/1064563055.db2.gz FRDJBZKRFDSFJD-FQEVSTJZSA-N 0 0 452.576 4.703 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001435168153 1064563511 /nfs/dbraw/zinc/56/35/11/1064563511.db2.gz ALBXJQQJFURRLZ-NRUKRWIHSA-N 0 0 454.636 4.734 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)c2)cc1 ZINC001435167905 1064563674 /nfs/dbraw/zinc/56/36/74/1064563674.db2.gz GEDSIRMNFGLFLO-RPWUZVMVSA-N 0 0 464.587 4.552 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCc1cc(Br)ccc1F ZINC001359874034 1064564498 /nfs/dbraw/zinc/56/44/98/1064564498.db2.gz UZPCYTVZBUWDIB-CABCVRRESA-N 0 0 455.441 4.951 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC001435168933 1064564680 /nfs/dbraw/zinc/56/46/80/1064564680.db2.gz FUAQDLKVAYLZMS-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN CC(C)Cc1nnc(N2CCSC3(CCOCC3)C2)n1CCSCc1ccccc1F ZINC001359874116 1064565051 /nfs/dbraw/zinc/56/50/51/1064565051.db2.gz WLVZAAOVGQEGIY-UHFFFAOYSA-N 0 0 464.676 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)Sc1ccccc1 ZINC001359874183 1064565059 /nfs/dbraw/zinc/56/50/59/1064565059.db2.gz XGDGUJBMQNISJC-RTBURBONSA-N 0 0 459.660 4.761 20 0 JJADRN CCOc1cccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)c1 ZINC001359875934 1064565939 /nfs/dbraw/zinc/56/59/39/1064565939.db2.gz UHUSENPITLYDTB-UHFFFAOYSA-N 0 0 458.558 4.797 20 0 JJADRN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1cc(C(F)(F)F)ccc1Br ZINC001359875650 1064566116 /nfs/dbraw/zinc/56/61/16/1064566116.db2.gz NVMDILYPZGRHGP-UHFFFAOYSA-N 0 0 452.234 4.573 20 0 JJADRN CCOc1ccc(N(C(=O)/C=C/c2cncc(F)c2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001359876148 1064566409 /nfs/dbraw/zinc/56/64/09/1064566409.db2.gz WLQLWDKQBHFEPN-FPYGCLRLSA-N 0 0 451.464 4.693 20 0 JJADRN CC(C)c1cc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n(-c2ncccn2)n1 ZINC001359876261 1064566638 /nfs/dbraw/zinc/56/66/38/1064566638.db2.gz WQENLVAVTKVZLN-UHFFFAOYSA-N 0 0 457.460 4.987 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359876307 1064566688 /nfs/dbraw/zinc/56/66/88/1064566688.db2.gz XCHOXXFGAWVZBE-GHMZBOCLSA-N 0 0 472.865 4.565 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c(-c2cc(F)ccc2F)n1 ZINC001435172556 1064566959 /nfs/dbraw/zinc/56/69/59/1064566959.db2.gz XKYUNADFJBJOID-YTTGMZPUSA-N 0 0 451.498 4.925 20 0 JJADRN C[S@@](=O)Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)ccc1Cl ZINC001435172160 1064567017 /nfs/dbraw/zinc/56/70/17/1064567017.db2.gz VLUFCDDPOHECDL-SSEXGKCCSA-N 0 0 458.889 4.616 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1Cc1cccnc1OCC(F)F ZINC001359876856 1064567290 /nfs/dbraw/zinc/56/72/90/1064567290.db2.gz JDOLILXLHWYAHR-DYESRHJHSA-N 0 0 489.542 4.669 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1Cl ZINC001435173056 1064567309 /nfs/dbraw/zinc/56/73/09/1064567309.db2.gz AVRNXLZVFNBWKJ-UHFFFAOYSA-N 0 0 456.857 4.536 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001359878181 1064568965 /nfs/dbraw/zinc/56/89/65/1064568965.db2.gz HDXBXIFHDOPJOW-HKBOAZHASA-N 0 0 476.065 4.665 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C1 ZINC001359877987 1064569125 /nfs/dbraw/zinc/56/91/25/1064569125.db2.gz FNOUONVAPFTKER-WBVHZDCISA-N 0 0 483.838 4.649 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCNC(=O)c2ccc(C)cc2)cc1 ZINC001435176275 1064569335 /nfs/dbraw/zinc/56/93/35/1064569335.db2.gz IAQPRAVZKSOZGJ-UHFFFAOYSA-N 0 0 455.558 4.631 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)[C@@H](OC)C(=O)OC(C)(C)C ZINC001435176146 1064569601 /nfs/dbraw/zinc/56/96/01/1064569601.db2.gz GSGROIVVLAPSKZ-XMMPIXPASA-N 0 0 455.595 4.896 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCSC2)C1 ZINC001359878408 1064569749 /nfs/dbraw/zinc/56/97/49/1064569749.db2.gz ITCJLMCETFENCC-IEGUWTFLSA-N 0 0 465.063 4.812 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001359878738 1064570096 /nfs/dbraw/zinc/57/00/96/1064570096.db2.gz MNISABLYMLWHTB-WRALFONMSA-N 0 0 487.664 4.786 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359878557 1064570298 /nfs/dbraw/zinc/57/02/98/1064570298.db2.gz JNMSOHBREMCYIC-SFNQZPIRSA-N 0 0 479.488 4.881 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Cl)c(I)c1 ZINC001435177429 1064570644 /nfs/dbraw/zinc/57/06/44/1064570644.db2.gz BSBAPAMZXWTZPO-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)cnn1-c1ccccc1Cl ZINC001359878787 1064570796 /nfs/dbraw/zinc/57/07/96/1064570796.db2.gz WAPYZWBTNKRTLQ-UHFFFAOYSA-N 0 0 454.983 4.584 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001359878915 1064570887 /nfs/dbraw/zinc/57/08/87/1064570887.db2.gz XRJPZQWWUKMUDZ-UHFFFAOYSA-N 0 0 451.523 4.763 20 0 JJADRN CCOCCC1(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CCC1 ZINC001435178212 1064571174 /nfs/dbraw/zinc/57/11/74/1064571174.db2.gz QOZWBNPBQHFYMW-UHFFFAOYSA-N 0 0 459.384 4.915 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)C1 ZINC001359879126 1064571196 /nfs/dbraw/zinc/57/11/96/1064571196.db2.gz PRPUOEIHUULVAK-KRWDZBQOSA-N 0 0 489.592 4.910 20 0 JJADRN COCc1nc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c(-c2ccccc2)s1 ZINC001435179792 1064571719 /nfs/dbraw/zinc/57/17/19/1064571719.db2.gz RFJYHSVWKNWXJP-UHFFFAOYSA-N 0 0 454.939 4.632 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Br)cnc1Br ZINC001435180377 1064571935 /nfs/dbraw/zinc/57/19/35/1064571935.db2.gz FPXJDNRZKXRREB-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)C1 ZINC001359879614 1064572813 /nfs/dbraw/zinc/57/28/13/1064572813.db2.gz YZYTUKWISNPRBY-URVUXULASA-N 0 0 488.076 4.939 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)C1 ZINC001359879641 1064573217 /nfs/dbraw/zinc/57/32/17/1064573217.db2.gz ZKMJZSIVULUIKE-CQSZACIVSA-N 0 0 460.367 4.580 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001359879993 1064573263 /nfs/dbraw/zinc/57/32/63/1064573263.db2.gz AQCDOWXGQOSHKA-OAQYLSRUSA-N 0 0 472.699 4.940 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@@H](C)Oc2ccccc2)cc1 ZINC001435182722 1064573663 /nfs/dbraw/zinc/57/36/63/1064573663.db2.gz DNUPSDLUWLWIDN-GOSISDBHSA-N 0 0 455.601 4.829 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(OCc2cscn2)c1)C1CC1 ZINC001359880508 1064573850 /nfs/dbraw/zinc/57/38/50/1064573850.db2.gz NYOKKQREKWXGJS-HSZRJFAPSA-N 0 0 450.560 4.501 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cnn(-c2cccc(Br)c2)c1 ZINC001435183151 1064574051 /nfs/dbraw/zinc/57/40/51/1064574051.db2.gz HQQRGVNWLJLISH-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1-c1ccc(F)cc1 ZINC001435183589 1064574074 /nfs/dbraw/zinc/57/40/74/1064574074.db2.gz GICFAXQDMFRPNH-UHFFFAOYSA-N 0 0 458.896 4.603 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC001435184185 1064574151 /nfs/dbraw/zinc/57/41/51/1064574151.db2.gz MBVRBDSAXGGBJB-VQTJNVASSA-N 0 0 459.546 4.500 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cccc(OCc2cscn2)c1)C1CC1 ZINC001359880510 1064573999 /nfs/dbraw/zinc/57/39/99/1064573999.db2.gz NYOKKQREKWXGJS-QHCPKHFHSA-N 0 0 450.560 4.501 20 0 JJADRN Cn1c(CNC(=O)c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 ZINC001359880983 1064574191 /nfs/dbraw/zinc/57/41/91/1064574191.db2.gz MDNILCDLXFNCAU-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435184829 1064574711 /nfs/dbraw/zinc/57/47/11/1064574711.db2.gz KXBCZPSZTFGVCK-OAQYLSRUSA-N 0 0 454.493 4.560 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC2CCOCC2)C1 ZINC001359881155 1064574894 /nfs/dbraw/zinc/57/48/94/1064574894.db2.gz MODLLPHGEHSHDN-FQEVSTJZSA-N 0 0 462.038 4.699 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCc1cc(Br)cs1)C1CC1 ZINC001359881141 1064574933 /nfs/dbraw/zinc/57/49/33/1064574933.db2.gz UHSASNHZGNSQEK-IBGZPJMESA-N 0 0 450.398 4.609 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1ccc(Cl)cc1 ZINC001435185690 1064575001 /nfs/dbraw/zinc/57/50/01/1064575001.db2.gz SDEPBQULUXGOLD-INIZCTEOSA-N 0 0 459.937 4.972 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CCc1cc(Br)cs1)C1CC1 ZINC001359881143 1064575172 /nfs/dbraw/zinc/57/51/72/1064575172.db2.gz UHSASNHZGNSQEK-LJQANCHMSA-N 0 0 450.398 4.609 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001435185713 1064575297 /nfs/dbraw/zinc/57/52/97/1064575297.db2.gz SDFTXVXTMMKPJQ-UHFFFAOYSA-N 0 0 452.414 4.632 20 0 JJADRN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001359881544 1064575501 /nfs/dbraw/zinc/57/55/01/1064575501.db2.gz RYCNETMTVLELGU-UHFFFAOYSA-N 0 0 458.230 4.803 20 0 JJADRN C[C@@]1(C(=O)NCCCO[C@@H]2CCCc3ccccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001435185978 1064575685 /nfs/dbraw/zinc/57/56/85/1064575685.db2.gz PHCLILOTGYIRHD-SHQCIBLASA-N 0 0 450.579 4.636 20 0 JJADRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC001435186897 1064576292 /nfs/dbraw/zinc/57/62/92/1064576292.db2.gz UGGXSRCHEHMIMG-ZDUSSCGKSA-N 0 0 457.354 4.635 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)c(F)cc1Br ZINC001435186948 1064576344 /nfs/dbraw/zinc/57/63/44/1064576344.db2.gz RPDVWXLHEIJPSS-GOSISDBHSA-N 0 0 451.764 4.911 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001359883209 1064577108 /nfs/dbraw/zinc/57/71/08/1064577108.db2.gz GVYXPSXYVSLSMA-GOSISDBHSA-N 0 0 459.516 4.925 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NC2CCCCC2)C1 ZINC001359882862 1064577225 /nfs/dbraw/zinc/57/72/25/1064577225.db2.gz DLDGDEZODXPXRG-HXUWFJFHSA-N 0 0 458.050 4.844 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)C1 ZINC001359883022 1064577309 /nfs/dbraw/zinc/57/73/09/1064577309.db2.gz FSMJYGKRFWENLU-RBUKOAKNSA-N 0 0 485.620 4.547 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC001435188137 1064577255 /nfs/dbraw/zinc/57/72/55/1064577255.db2.gz ABSSBJPCNMQWHQ-HXUWFJFHSA-N 0 0 450.398 4.661 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001359883600 1064577742 /nfs/dbraw/zinc/57/77/42/1064577742.db2.gz JHUSOMONSGUPNP-NOMHHCBYSA-N 0 0 489.705 4.816 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC001435188390 1064577927 /nfs/dbraw/zinc/57/79/27/1064577927.db2.gz IAYNRKMBZZSTER-MGPUTAFESA-N 0 0 450.398 4.517 20 0 JJADRN O=C(Oc1cccc(Oc2ncccn2)c1)c1ccc(Cl)c(I)c1 ZINC001359883669 1064578285 /nfs/dbraw/zinc/57/82/85/1064578285.db2.gz QFUQGZVBPFQZQG-UHFFFAOYSA-N 0 0 452.635 4.746 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)s2)cc1 ZINC001435188776 1064578515 /nfs/dbraw/zinc/57/85/15/1064578515.db2.gz NXTKOIBOKDGMOY-WBVHZDCISA-N 0 0 453.564 4.619 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)s2)cc1 ZINC001435189239 1064579089 /nfs/dbraw/zinc/57/90/89/1064579089.db2.gz QMGICJMQDXUUCB-AUUYWEPGSA-N 0 0 457.621 4.820 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)C1 ZINC001359884772 1064579101 /nfs/dbraw/zinc/57/91/01/1064579101.db2.gz QHPWEMBQTWYNSK-IRLDBZIGSA-N 0 0 487.620 4.646 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 ZINC001359884744 1064579269 /nfs/dbraw/zinc/57/92/69/1064579269.db2.gz QBQAQVJSPWTTSC-LNRXMEIDSA-N 0 0 489.705 4.764 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)C1 ZINC001359884794 1064579358 /nfs/dbraw/zinc/57/93/58/1064579358.db2.gz QNILTLPHTXHRPG-KAOXLYBCSA-N 0 0 489.705 4.938 20 0 JJADRN COc1cccc([C@H](NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c2ccccc2Cl)c1 ZINC001435190280 1064580177 /nfs/dbraw/zinc/58/01/77/1064580177.db2.gz GTMQLZCQPHYMPS-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c2ccccc2Cl)c1 ZINC001435190281 1064580278 /nfs/dbraw/zinc/58/02/78/1064580278.db2.gz GTMQLZCQPHYMPS-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cnc(CC3CC3)s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435191364 1064580626 /nfs/dbraw/zinc/58/06/26/1064580626.db2.gz KWOXARZBNFQPLI-HSZRJFAPSA-N 0 0 454.617 4.635 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)c2ccccc2F)C1 ZINC001359885889 1064581328 /nfs/dbraw/zinc/58/13/28/1064581328.db2.gz HXFSWKJWLWPKHW-JOCHJYFZSA-N 0 0 450.606 4.802 20 0 JJADRN Cc1c(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435192935 1064581654 /nfs/dbraw/zinc/58/16/54/1064581654.db2.gz TZGQKGHNHQTMFS-HRAATJIYSA-N 0 0 458.484 4.564 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)c(F)c2)C1 ZINC001359886381 1064582081 /nfs/dbraw/zinc/58/20/81/1064582081.db2.gz LMHDTPNQELOGEH-GOSISDBHSA-N 0 0 473.593 4.663 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001435193177 1064582158 /nfs/dbraw/zinc/58/21/58/1064582158.db2.gz GOUADSIPVCWNHW-KRWDZBQOSA-N 0 0 453.421 4.842 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359886520 1064582325 /nfs/dbraw/zinc/58/23/25/1064582325.db2.gz MMGTWQONXAFMFL-WTPASJBYSA-N 0 0 465.063 4.684 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435194067 1064582518 /nfs/dbraw/zinc/58/25/18/1064582518.db2.gz DOTLISHTMYKFGM-FQELHTAISA-N 0 0 459.359 4.597 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435194282 1064583035 /nfs/dbraw/zinc/58/30/35/1064583035.db2.gz XNLMNSRANSHHDW-RBBKRZOGSA-N 0 0 451.567 4.752 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001435194477 1064583192 /nfs/dbraw/zinc/58/31/92/1064583192.db2.gz KSXWAVWZTKQRQL-VWLOTQADSA-N 0 0 450.583 4.788 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(I)cc2)C1 ZINC001359887282 1064583407 /nfs/dbraw/zinc/58/34/07/1064583407.db2.gz USAKNXKNNWSSMS-SFHVURJKSA-N 0 0 464.395 4.756 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001435195259 1064583504 /nfs/dbraw/zinc/58/35/04/1064583504.db2.gz PFQBSEXBLUBYFL-BDYVUNBFSA-N 0 0 457.983 4.789 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccccc2F)C1 ZINC001359887740 1064583863 /nfs/dbraw/zinc/58/38/63/1064583863.db2.gz YABUEZWRWJNCFG-OALUTQOASA-N 0 0 485.629 4.749 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001359888319 1064584883 /nfs/dbraw/zinc/58/48/83/1064584883.db2.gz AQANSHPWFSVRDA-JWZKTCGFSA-N 0 0 481.685 4.677 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)cc12 ZINC001435196270 1064584909 /nfs/dbraw/zinc/58/49/09/1064584909.db2.gz RARSHQLHBFMSPD-QGZVFWFLSA-N 0 0 458.559 4.664 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001359888307 1064585094 /nfs/dbraw/zinc/58/50/94/1064585094.db2.gz AGEYRBPXRNXDDA-VWLOTQADSA-N 0 0 476.735 4.665 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001359888479 1064585322 /nfs/dbraw/zinc/58/53/22/1064585322.db2.gz DBWZJIRKTWWLBL-MZNJEOGPSA-N 0 0 475.012 4.652 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359888565 1064585356 /nfs/dbraw/zinc/58/53/56/1064585356.db2.gz FQAOQAWEKKLJRO-LAUBAEHRSA-N 0 0 456.557 4.646 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001359888480 1064585374 /nfs/dbraw/zinc/58/53/74/1064585374.db2.gz DBWZJIRKTWWLBL-OSPHWJPCSA-N 0 0 475.012 4.652 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001359888548 1064585516 /nfs/dbraw/zinc/58/55/16/1064585516.db2.gz FISIJLGUKSWCPR-DEOSSOPVSA-N 0 0 489.089 4.959 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001359888466 1064585527 /nfs/dbraw/zinc/58/55/27/1064585527.db2.gz CZVIWLJERWJURP-NFBKMPQASA-N 0 0 479.463 4.929 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1 ZINC001359888519 1064585553 /nfs/dbraw/zinc/58/55/53/1064585553.db2.gz DXZVBFXKOQUKDD-OAQYLSRUSA-N 0 0 478.460 4.988 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001359888603 1064585809 /nfs/dbraw/zinc/58/58/09/1064585809.db2.gz GMNDBXISCBKCHJ-RNWIMVQKSA-N 0 0 497.728 4.588 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001359888643 1064585843 /nfs/dbraw/zinc/58/58/43/1064585843.db2.gz HLPXFNIUCHTEAH-HHJKRLRDSA-N 0 0 468.671 4.853 20 0 JJADRN COc1ccc(SCCC(=O)NCC2(c3cccc(Br)c3)CC2)cc1OC ZINC001435197554 1064585817 /nfs/dbraw/zinc/58/58/17/1064585817.db2.gz GVPGUBXYXPVXOT-UHFFFAOYSA-N 0 0 450.398 4.797 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001359888601 1064586059 /nfs/dbraw/zinc/58/60/59/1064586059.db2.gz GMNDBXISCBKCHJ-IADCTJSHSA-N 0 0 497.728 4.588 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435198592 1064586189 /nfs/dbraw/zinc/58/61/89/1064586189.db2.gz MKDQWAJWMMLFGW-UHFFFAOYSA-N 0 0 457.111 4.745 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc2c1O[C@H](C)C2 ZINC001435198547 1064586210 /nfs/dbraw/zinc/58/62/10/1064586210.db2.gz FQYJVOAKPLLJCE-GFCCVEGCSA-N 0 0 456.340 4.742 20 0 JJADRN O=C(Nc1ccccc1CC(F)(F)F)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001435198642 1064586261 /nfs/dbraw/zinc/58/62/61/1064586261.db2.gz NDKGKJBQONHEJG-UHFFFAOYSA-N 0 0 450.844 4.938 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC001359888783 1064586495 /nfs/dbraw/zinc/58/64/95/1064586495.db2.gz COJSMGSRYRTSTQ-UHFFFAOYSA-N 0 0 456.739 4.728 20 0 JJADRN COc1ccc(-n2c3ccccc3nc2NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001435199146 1064586843 /nfs/dbraw/zinc/58/68/43/1064586843.db2.gz GLDPZTFYMZTCJE-UHFFFAOYSA-N 0 0 450.539 4.668 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001359889100 1064586931 /nfs/dbraw/zinc/58/69/31/1064586931.db2.gz HJLFNAZUQXTWME-HKUYNNGSSA-N 0 0 450.323 4.695 20 0 JJADRN CCN(C)C(=O)c1cccc(OC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC001435199572 1064587108 /nfs/dbraw/zinc/58/71/08/1064587108.db2.gz PHMFXEKDDHVHIM-UHFFFAOYSA-N 0 0 451.523 4.905 20 0 JJADRN CN(C(=O)c1ccc(Cn2ccnn2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001435200159 1064587326 /nfs/dbraw/zinc/58/73/26/1064587326.db2.gz SMEATNIGQDVUKR-UHFFFAOYSA-N 0 0 453.424 4.809 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001359889336 1064587334 /nfs/dbraw/zinc/58/73/34/1064587334.db2.gz APCFCNSXFFZSHZ-IBGZPJMESA-N 0 0 457.363 4.740 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001359889337 1064587378 /nfs/dbraw/zinc/58/73/78/1064587378.db2.gz APCFCNSXFFZSHZ-LJQANCHMSA-N 0 0 457.363 4.740 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1CC(F)(F)F ZINC001435200376 1064587520 /nfs/dbraw/zinc/58/75/20/1064587520.db2.gz XXVZNOWBZXGVNU-MRXNPFEDSA-N 0 0 454.514 4.915 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCC3(c4cccc(Br)c4)CC3)cc2)C[C@H](C)O1 ZINC001435200466 1064587729 /nfs/dbraw/zinc/58/77/29/1064587729.db2.gz WGITWVPUDYLNLC-HDICACEKSA-N 0 0 457.412 4.520 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359889590 1064587910 /nfs/dbraw/zinc/58/79/10/1064587910.db2.gz CIFMAZRVCYFWLN-BWKNWUBXSA-N 0 0 489.567 4.640 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001359889403 1064588017 /nfs/dbraw/zinc/58/80/17/1064588017.db2.gz BLIQXABVSPGEOJ-AREMUKBSSA-N 0 0 469.605 4.785 20 0 JJADRN COC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)C ZINC001435200825 1064588163 /nfs/dbraw/zinc/58/81/63/1064588163.db2.gz QPXXSKBRJNGHNM-OAQYLSRUSA-N 0 0 456.384 4.632 20 0 JJADRN O=C(Cc1ccc(-n2cccc2)cc1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435200724 1064588190 /nfs/dbraw/zinc/58/81/90/1064588190.db2.gz DMUMQVJQPHDTEK-UHFFFAOYSA-N 0 0 454.246 4.757 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)cn2)cc1 ZINC001435200802 1064588281 /nfs/dbraw/zinc/58/82/81/1064588281.db2.gz XGWFRGXTJRRUQV-AWEZNQCLSA-N 0 0 455.873 4.667 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ncccc2Br)n1C ZINC001435201696 1064588716 /nfs/dbraw/zinc/58/87/16/1064588716.db2.gz ZTWYVCRMXNJEEI-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN Cc1c(C(=O)N2CCCCC[C@@H]2c2ccco2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001435201801 1064588774 /nfs/dbraw/zinc/58/87/74/1064588774.db2.gz DQXKLLVGMHEXOQ-LJQANCHMSA-N 0 0 457.575 4.509 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001359890001 1064588846 /nfs/dbraw/zinc/58/88/46/1064588846.db2.gz QROXSMYUGUMWLD-UQBPGWFLSA-N 0 0 494.055 4.666 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001359890064 1064588961 /nfs/dbraw/zinc/58/89/61/1064588961.db2.gz RCGPUYCOSYFDJX-MBSDFSHPSA-N 0 0 492.455 4.872 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccc(Br)cc1 ZINC001435202045 1064589050 /nfs/dbraw/zinc/58/90/50/1064589050.db2.gz URKNTQYCNNCGPM-UHFFFAOYSA-N 0 0 454.040 4.800 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001359890167 1064589427 /nfs/dbraw/zinc/58/94/27/1064589427.db2.gz IEHWJENYZXGPHB-QHCPKHFHSA-N 0 0 470.415 4.810 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001359890327 1064589630 /nfs/dbraw/zinc/58/96/30/1064589630.db2.gz SGDRQRRCNUIIOA-NLFFAJNJSA-N 0 0 474.621 4.751 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001359890365 1064589685 /nfs/dbraw/zinc/58/96/85/1064589685.db2.gz TUQWGRXTKVOICN-JTSKRJEESA-N 0 0 487.998 4.859 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001359890324 1064589887 /nfs/dbraw/zinc/58/98/87/1064589887.db2.gz SGDRQRRCNUIIOA-CJFMBICVSA-N 0 0 474.621 4.751 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 ZINC001359891086 1064590621 /nfs/dbraw/zinc/59/06/21/1064590621.db2.gz XMNPVYDVEFSLKP-KOSHJBKYSA-N 0 0 465.038 4.874 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001359891216 1064591753 /nfs/dbraw/zinc/59/17/53/1064591753.db2.gz PGBOQCXLEOQTNG-NLFFAJNJSA-N 0 0 470.017 4.838 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001359891443 1064592025 /nfs/dbraw/zinc/59/20/25/1064592025.db2.gz RHZZLYFEBKIEGS-HOYKHHGWSA-N 0 0 457.022 4.513 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC001435207851 1064592542 /nfs/dbraw/zinc/59/25/42/1064592542.db2.gz NJWZIJXZWYWGCW-UHFFFAOYSA-N 0 0 459.363 4.972 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001359891599 1064592651 /nfs/dbraw/zinc/59/26/51/1064592651.db2.gz UMBJVBBCADAEAA-AFMDSPMNSA-N 0 0 451.615 4.684 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359891798 1064593010 /nfs/dbraw/zinc/59/30/10/1064593010.db2.gz XMEPKDBNTLQAKF-SFHVURJKSA-N 0 0 481.485 4.792 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359891782 1064593116 /nfs/dbraw/zinc/59/31/16/1064593116.db2.gz XHSMIPVUCDXKBM-SFHVURJKSA-N 0 0 479.469 4.848 20 0 JJADRN Cc1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)ccc1OC1CCOCC1 ZINC001435211770 1064594035 /nfs/dbraw/zinc/59/40/35/1064594035.db2.gz GEAOFVFMRHRQNJ-UHFFFAOYSA-N 0 0 456.340 4.753 20 0 JJADRN Cc1cc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)ccc1OC1CCOCC1 ZINC001435212556 1064594157 /nfs/dbraw/zinc/59/41/57/1064594157.db2.gz JFHWZECOQWGABI-UHFFFAOYSA-N 0 0 456.340 4.753 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC001435212835 1064594221 /nfs/dbraw/zinc/59/42/21/1064594221.db2.gz VPBIVFKSFGGTPF-QHCPKHFHSA-N 0 0 453.608 4.620 20 0 JJADRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435212906 1064594519 /nfs/dbraw/zinc/59/45/19/1064594519.db2.gz IOYDWYJJKNFSNC-OMBNZBRDSA-N 0 0 453.341 4.544 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359893832 1064594769 /nfs/dbraw/zinc/59/47/69/1064594769.db2.gz JBYAIUAWOZBHKS-IBVKSMDESA-N 0 0 477.694 4.816 20 0 JJADRN CCOc1cc(CCCNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1OC ZINC001435214427 1064594962 /nfs/dbraw/zinc/59/49/62/1064594962.db2.gz RWVYXPWIDDVICQ-BKMJKUGQSA-N 0 0 460.615 4.713 20 0 JJADRN CCCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435213537 1064594990 /nfs/dbraw/zinc/59/49/90/1064594990.db2.gz PURHEMMIUROUNT-NRFANRHFSA-N 0 0 450.539 4.549 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(CC(C)C)cc3)CC2)c(C)c1 ZINC001435213530 1064595046 /nfs/dbraw/zinc/59/50/46/1064595046.db2.gz PTZGDMFFEWUEEF-GOTSBHOMSA-N 0 0 450.623 4.744 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001359894168 1064595089 /nfs/dbraw/zinc/59/50/89/1064595089.db2.gz LIQQDXDIYJVEKW-HYBUGGRVSA-N 0 0 464.557 4.522 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C ZINC001359894179 1064595248 /nfs/dbraw/zinc/59/52/48/1064595248.db2.gz LMRKBSPPBZRIJH-RXFWQSSRSA-N 0 0 477.694 4.959 20 0 JJADRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC001435214409 1064595484 /nfs/dbraw/zinc/59/54/84/1064595484.db2.gz FTASUROZFCJSCO-KBPBESRZSA-N 0 0 450.320 4.708 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001359894597 1064595635 /nfs/dbraw/zinc/59/56/35/1064595635.db2.gz OVWYUYAPEAAZQZ-BVZFJXPGSA-N 0 0 461.601 4.504 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC001435214721 1064595676 /nfs/dbraw/zinc/59/56/76/1064595676.db2.gz BUNQVKMVXAXVHE-GOSISDBHSA-N 0 0 451.748 4.665 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC001435214724 1064595968 /nfs/dbraw/zinc/59/59/68/1064595968.db2.gz BUNQVKMVXAXVHE-SFHVURJKSA-N 0 0 451.748 4.665 20 0 JJADRN CCCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001435215192 1064596118 /nfs/dbraw/zinc/59/61/18/1064596118.db2.gz UJANOUNLHPFDAR-RBZQAINGSA-N 0 0 450.579 4.685 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC1(C)C ZINC001359894833 1064596310 /nfs/dbraw/zinc/59/63/10/1064596310.db2.gz RRHPFVPYZRLSCH-MHZLTWQESA-N 0 0 480.657 4.802 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001359895129 1064596747 /nfs/dbraw/zinc/59/67/47/1064596747.db2.gz XTRLIOUPVQQLEL-VWLOTQADSA-N 0 0 461.601 4.728 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359895327 1064596813 /nfs/dbraw/zinc/59/68/13/1064596813.db2.gz ARVHQRMVYKGIPB-GCJKJVERSA-N 0 0 454.537 4.624 20 0 JJADRN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435215757 1064596776 /nfs/dbraw/zinc/59/67/76/1064596776.db2.gz GJICEWDFETUQPR-OPBMBUAESA-N 0 0 450.579 4.837 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(NC(=O)OC)cc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435216413 1064597041 /nfs/dbraw/zinc/59/70/41/1064597041.db2.gz IKTKONPSUWMMJR-VXKWHMMOSA-N 0 0 453.539 4.517 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217878 1064597607 /nfs/dbraw/zinc/59/76/07/1064597607.db2.gz UKZIXVVXNOYJNB-VDKIKQQVSA-N 0 0 450.579 4.645 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001359895828 1064597918 /nfs/dbraw/zinc/59/79/18/1064597918.db2.gz IQCOKQMAIUUGGX-XFAGBWLFSA-N 0 0 491.474 4.855 20 0 JJADRN CC[C@@H](CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)Cc1cccc(Br)c1 ZINC001435218138 1064598160 /nfs/dbraw/zinc/59/81/60/1064598160.db2.gz DSGUHUHAJNNZBD-MRXNPFEDSA-N 0 0 458.352 4.628 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)CC)ccc1F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435218228 1064598190 /nfs/dbraw/zinc/59/81/90/1064598190.db2.gz WKSJOJRADXLPGW-HSZRJFAPSA-N 0 0 458.530 4.795 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001359896265 1064598288 /nfs/dbraw/zinc/59/82/88/1064598288.db2.gz OECXGLXXVOWAHC-YKSBVNFPSA-N 0 0 490.073 4.744 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001359896076 1064598420 /nfs/dbraw/zinc/59/84/20/1064598420.db2.gz NBLXUOHKTHJILC-LVXARBLLSA-N 0 0 451.590 4.584 20 0 JJADRN Cc1cn(CC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)nc1C(F)(F)F ZINC001359896335 1064598504 /nfs/dbraw/zinc/59/85/04/1064598504.db2.gz DUAHZNVAMGVDKN-FQEVSTJZSA-N 0 0 456.468 4.826 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001359897284 1064600095 /nfs/dbraw/zinc/60/00/95/1064600095.db2.gz WPDRPICNDSOUEV-CLOONOSVSA-N 0 0 478.703 4.655 20 0 JJADRN CC(C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001359898490 1064601590 /nfs/dbraw/zinc/60/15/90/1064601590.db2.gz DQCGAIVSYUMOPF-OHUGHZGNSA-N 0 0 460.594 4.768 20 0 JJADRN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc(F)cc(N2CCOCC2)c1 ZINC001359898015 1064601631 /nfs/dbraw/zinc/60/16/31/1064601631.db2.gz MRJKAORWSHBWIK-UHFFFAOYSA-N 0 0 450.948 4.571 20 0 JJADRN Cc1c(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cccc1S(=O)(=O)NC1CC1 ZINC001435221886 1064602211 /nfs/dbraw/zinc/60/22/11/1064602211.db2.gz RRFJWQQLDOVTRL-OWBHPGMISA-N 0 0 456.564 4.955 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)nnn1-c1cccc(Cl)c1 ZINC001435221898 1064602234 /nfs/dbraw/zinc/60/22/34/1064602234.db2.gz YKHCMYIDUXXVES-UHFFFAOYSA-N 0 0 458.349 4.529 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC001435221436 1064602238 /nfs/dbraw/zinc/60/22/38/1064602238.db2.gz XDDJOHXKDDFYOQ-ZCYQVOJMSA-N 0 0 451.611 4.528 20 0 JJADRN CC(C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001359898491 1064602301 /nfs/dbraw/zinc/60/23/01/1064602301.db2.gz DQCGAIVSYUMOPF-RLSLOFABSA-N 0 0 460.594 4.768 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359898650 1064603373 /nfs/dbraw/zinc/60/33/73/1064603373.db2.gz FNIBCRIQSASUCQ-DENIHFKCSA-N 0 0 454.537 4.972 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359898707 1064603381 /nfs/dbraw/zinc/60/33/81/1064603381.db2.gz BOBNDRUQSVKXKB-KCWPFWIISA-N 0 0 456.675 4.892 20 0 JJADRN CC[C@H](CNC(=O)COc1cccc(NC(=O)C2CC2)c1)Cc1cccc(Br)c1 ZINC001435222623 1064603857 /nfs/dbraw/zinc/60/38/57/1064603857.db2.gz NTVPSUQXBCZETI-INIZCTEOSA-N 0 0 459.384 4.562 20 0 JJADRN CCc1ccc([C@H]2CCCCCN2C(=O)COc2cccc(I)c2)o1 ZINC001435222899 1064603867 /nfs/dbraw/zinc/60/38/67/1064603867.db2.gz HCLPOFDMIKQACE-GOSISDBHSA-N 0 0 453.320 4.969 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3C)ccc2c1 ZINC001435224603 1064605392 /nfs/dbraw/zinc/60/53/92/1064605392.db2.gz LUIBSGMKEBRWDY-INIZCTEOSA-N 0 0 452.576 4.648 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359899499 1064605437 /nfs/dbraw/zinc/60/54/37/1064605437.db2.gz JDVZWZQFUFJUCI-FIPFOOKPSA-N 0 0 499.700 4.696 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001359899346 1064605458 /nfs/dbraw/zinc/60/54/58/1064605458.db2.gz IRPOETNVOQLOLR-NDEPHWFRSA-N 0 0 481.685 4.551 20 0 JJADRN Cc1ccc(C[C@H](C)N(C)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001435223891 1064605454 /nfs/dbraw/zinc/60/54/54/1064605454.db2.gz SROVXWJBEMGUQQ-SFHVURJKSA-N 0 0 457.412 4.699 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1S(=O)(=O)NC1CC1 ZINC001435224571 1064605542 /nfs/dbraw/zinc/60/55/42/1064605542.db2.gz LRQUGGPFZQFZNW-JKSUJKDBSA-N 0 0 453.391 4.793 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359899507 1064606166 /nfs/dbraw/zinc/60/61/66/1064606166.db2.gz JDVZWZQFUFJUCI-QDPGVEIFSA-N 0 0 499.700 4.696 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001359899610 1064606334 /nfs/dbraw/zinc/60/63/34/1064606334.db2.gz KDRAXRHZRUSANJ-LVXARBLLSA-N 0 0 497.665 4.504 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001359899660 1064606979 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CO[C@@H](CNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)(C)C ZINC001435282369 1064659672 /nfs/dbraw/zinc/65/96/72/1064659672.db2.gz FHBVBMMPLUBZCA-PBHICJAKSA-N 0 0 459.637 4.863 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC001435283207 1064660637 /nfs/dbraw/zinc/66/06/37/1064660637.db2.gz UYIXAMCBQVXUOP-HHHXNRCGSA-N 0 0 459.546 4.670 20 0 JJADRN CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC001435282874 1064660646 /nfs/dbraw/zinc/66/06/46/1064660646.db2.gz KNRUBLQFCRMPJS-INIZCTEOSA-N 0 0 452.001 4.558 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H](CCOC)Cc3cccc(Br)c3)cc2)o1 ZINC001435282937 1064660653 /nfs/dbraw/zinc/66/06/53/1064660653.db2.gz LMCLKBSNYCLFAW-KRWDZBQOSA-N 0 0 458.356 4.895 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1)ccc2Br ZINC001435282846 1064660669 /nfs/dbraw/zinc/66/06/69/1064660669.db2.gz BKSZZOMLVKEMSI-CYBMUJFWSA-N 0 0 450.333 4.893 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(C3CCOCC3)nn2C)c2ccccc2Cl)c(C)c1 ZINC001435284279 1064662052 /nfs/dbraw/zinc/66/20/52/1064662052.db2.gz REJFHFOBQATIAO-XMMPIXPASA-N 0 0 453.970 4.804 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001435285708 1064663130 /nfs/dbraw/zinc/66/31/30/1064663130.db2.gz BNGRZRAUUIWHOF-UHFFFAOYSA-N 0 0 458.484 4.825 20 0 JJADRN CN(C)c1cc(CNC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)c2ccccc2n1 ZINC001435287106 1064663258 /nfs/dbraw/zinc/66/32/58/1064663258.db2.gz RLCBEIKEFRLOCD-XMMPIXPASA-N 0 0 454.977 4.937 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)Oc2cccc(OC)c2)cc1 ZINC001435286658 1064663268 /nfs/dbraw/zinc/66/32/68/1064663268.db2.gz AIGQZUXRDWRFKB-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001359928141 1064664035 /nfs/dbraw/zinc/66/40/35/1064664035.db2.gz BNONLMQMADJOLA-AWEZNQCLSA-N 0 0 457.481 4.943 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21)c1nc(C(F)(F)F)cs1 ZINC001435287786 1064664096 /nfs/dbraw/zinc/66/40/96/1064664096.db2.gz AELWLOAUROTJKU-CHWSQXEVSA-N 0 0 455.531 4.711 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 ZINC001435289389 1064664574 /nfs/dbraw/zinc/66/45/74/1064664574.db2.gz PQZWSUZJJMEENO-COPCDDAFSA-N 0 0 455.396 4.905 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3nc(Br)ccc3Br)CC2)cc1 ZINC001435289716 1064665649 /nfs/dbraw/zinc/66/56/49/1064665649.db2.gz JYFTXUMTCSWASA-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)CC2)cc1 ZINC001435289701 1064665672 /nfs/dbraw/zinc/66/56/72/1064665672.db2.gz JONUNSYNHQRVTJ-MUUNZHRXSA-N 0 0 458.602 4.938 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1 ZINC001435290460 1064666493 /nfs/dbraw/zinc/66/64/93/1064666493.db2.gz LUGNMYWCLSHQDI-GFCCVEGCSA-N 0 0 451.310 4.933 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC001435291587 1064667103 /nfs/dbraw/zinc/66/71/03/1064667103.db2.gz VOCLRUFOCLYFIV-YNJKOYDBSA-N 0 0 454.636 4.824 20 0 JJADRN C[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001435292568 1064668681 /nfs/dbraw/zinc/66/86/81/1064668681.db2.gz CCGMBVNHZHULIZ-NSHDSACASA-N 0 0 459.255 4.790 20 0 JJADRN C[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)Oc1ccc(Br)cc1 ZINC001435292913 1064668705 /nfs/dbraw/zinc/66/87/05/1064668705.db2.gz CQRWKSWVJIAMPS-CQSZACIVSA-N 0 0 459.365 4.960 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001545890085 1064669732 /nfs/dbraw/zinc/66/97/32/1064669732.db2.gz PRFJMGSRDNWWAJ-MOPGFXCFSA-N 0 0 498.672 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001545890086 1064669788 /nfs/dbraw/zinc/66/97/88/1064669788.db2.gz PRFJMGSRDNWWAJ-OALUTQOASA-N 0 0 498.672 4.576 20 0 JJADRN CCc1cc(N2CCC[C@@H](NC(=O)CCSc3ccnc4cc(Cl)ccc43)C2)ncn1 ZINC001359932589 1064670627 /nfs/dbraw/zinc/67/06/27/1064670627.db2.gz YSRUWENZAVWJKO-GOSISDBHSA-N 0 0 456.015 4.508 20 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Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001435296432 1064672859 /nfs/dbraw/zinc/67/28/59/1064672859.db2.gz DPQIPIRDMGZPDA-UHFFFAOYSA-N 0 0 454.502 4.781 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c12 ZINC001435297301 1064673512 /nfs/dbraw/zinc/67/35/12/1064673512.db2.gz KINCCSUCURQYDY-QGZVFWFLSA-N 0 0 457.619 4.700 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359933547 1064674614 /nfs/dbraw/zinc/67/46/14/1064674614.db2.gz SXLDBUAGYOOSOB-QGZVFWFLSA-N 0 0 495.466 4.586 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001359933416 1064674639 /nfs/dbraw/zinc/67/46/39/1064674639.db2.gz RSRRAHBZFYTELN-WOJBJXKFSA-N 0 0 473.637 4.980 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 ZINC001435300410 1064675319 /nfs/dbraw/zinc/67/53/19/1064675319.db2.gz DVOBYXWVAJVZDG-OAQYLSRUSA-N 0 0 453.652 4.683 20 0 JJADRN CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001359933662 1064675420 /nfs/dbraw/zinc/67/54/20/1064675420.db2.gz KYLAHKOCGTZTRI-SFHVURJKSA-N 0 0 465.564 4.794 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001359933650 1064675526 /nfs/dbraw/zinc/67/55/26/1064675526.db2.gz VRQXGOIYPKCSOU-UHFFFAOYSA-N 0 0 491.478 4.557 20 0 JJADRN CC(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001359933812 1064676137 /nfs/dbraw/zinc/67/61/37/1064676137.db2.gz YFIOYPFBJWNCCG-SFHVURJKSA-N 0 0 457.688 4.872 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001359933985 1064677185 /nfs/dbraw/zinc/67/71/85/1064677185.db2.gz RIYOYBFXVGPSIG-INIZCTEOSA-N 0 0 482.492 4.804 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(OCC3CC3)CC2)CC1 ZINC001435301746 1064677080 /nfs/dbraw/zinc/67/70/80/1064677080.db2.gz OLWFWRUSATYVCA-DGWZTRNLSA-N 0 0 454.655 4.594 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1)c1c(F)cccc1F ZINC001359934598 1064677985 /nfs/dbraw/zinc/67/79/85/1064677985.db2.gz NOGPGKCHKUBWDQ-JOCHJYFZSA-N 0 0 452.457 4.528 20 0 JJADRN Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1C ZINC001435303685 1064678441 /nfs/dbraw/zinc/67/84/41/1064678441.db2.gz DUFNGDBOSUUXDK-QHCPKHFHSA-N 0 0 458.599 4.985 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1cc(OCc2ccccc2)cs1 ZINC001435303748 1064678511 /nfs/dbraw/zinc/67/85/11/1064678511.db2.gz WADMCAXIVWKLCF-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359935064 1064678620 /nfs/dbraw/zinc/67/86/20/1064678620.db2.gz CFUNBMFJXKOMHH-OAQYLSRUSA-N 0 0 458.400 4.895 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC001359934965 1064678685 /nfs/dbraw/zinc/67/86/85/1064678685.db2.gz AXIICQMYRUSNHQ-IEBWSBKVSA-N 0 0 453.174 4.791 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c(I)c1 ZINC001359935704 1064679473 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/nfs/dbraw/zinc/68/10/05/1064681005.db2.gz NUAZJWFJFUEKFP-ZDUSSCGKSA-N 0 0 458.335 4.649 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC001435307859 1064681500 /nfs/dbraw/zinc/68/15/00/1064681500.db2.gz JHZJBSVPHSHGES-ZDXQCDESSA-N 0 0 454.998 4.785 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001435308304 1064681621 /nfs/dbraw/zinc/68/16/21/1064681621.db2.gz YNAIADKSDQFBSB-INIZCTEOSA-N 0 0 455.521 4.685 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938078 1064681598 /nfs/dbraw/zinc/68/15/98/1064681598.db2.gz IUDQDRPORXTNMS-HJCAUHOKSA-N 0 0 455.549 4.838 20 0 JJADRN CC(C)CCn1c(C2CCCC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001359937970 1064681617 /nfs/dbraw/zinc/68/16/17/1064681617.db2.gz GHUVVAIOWVFOHT-UHFFFAOYSA-N 0 0 453.400 4.882 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001545890163 1064682548 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KXVBWCYKNIYROC-SFHVURJKSA-N 0 0 450.564 4.636 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001359943063 1064687381 /nfs/dbraw/zinc/68/73/81/1064687381.db2.gz AJYMCQROOKYKQD-ZBFHGGJFSA-N 0 0 459.450 4.985 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc2ccccc2n1-c1ccccc1F)c1c(F)cccc1F ZINC001435315791 1064687531 /nfs/dbraw/zinc/68/75/31/1064687531.db2.gz GQYZJKWJMSYPLG-LJQANCHMSA-N 0 0 452.436 4.649 20 0 JJADRN O=C(CCCc1cc(Cl)sc1Cl)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC001359943285 1064688321 /nfs/dbraw/zinc/68/83/21/1064688321.db2.gz DEYUQWFNXXXYSL-UHFFFAOYSA-N 0 0 451.372 4.695 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1Cl ZINC001435316349 1064688464 /nfs/dbraw/zinc/68/84/64/1064688464.db2.gz QOOQJCSFWQPVLY-UHFFFAOYSA-N 0 0 459.955 4.856 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCc2cccc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435316095 1064688581 /nfs/dbraw/zinc/68/85/81/1064688581.db2.gz CFBLEKXMFOAGTC-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN CC(C)CCn1c(CCCc2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001359943478 1064688429 /nfs/dbraw/zinc/68/84/29/1064688429.db2.gz AFUBDMKNLPDOLC-UHFFFAOYSA-N 0 0 451.659 4.728 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC001435316361 1064688617 /nfs/dbraw/zinc/68/86/17/1064688617.db2.gz DTANSZMVDHRRHH-HSZRJFAPSA-N 0 0 450.604 4.995 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001359944006 1064689060 /nfs/dbraw/zinc/68/90/60/1064689060.db2.gz MHDWHFBBGJERNA-GAJHUEQPSA-N 0 0 483.440 4.984 20 0 JJADRN CC(C)CCn1c(CCOc2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001359943734 1064689104 /nfs/dbraw/zinc/68/91/04/1064689104.db2.gz GUWVQGYAFVVZOP-UHFFFAOYSA-N 0 0 453.562 4.528 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001359944039 1064689120 /nfs/dbraw/zinc/68/91/20/1064689120.db2.gz NFTDFCVYGFLKBR-UHFFFAOYSA-N 0 0 480.440 4.801 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CCOCC1 ZINC001359943735 1064689151 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UCESPRXDHOGTMN-XZOQPEGZSA-N 0 0 483.657 4.685 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001435318379 1064691876 /nfs/dbraw/zinc/69/18/76/1064691876.db2.gz UHJBQHXGOXNJEP-OAHLLOKOSA-N 0 0 454.502 4.533 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001359944637 1064692439 /nfs/dbraw/zinc/69/24/39/1064692439.db2.gz XIXKKWFJWNWNSA-UHFFFAOYSA-N 0 0 466.655 4.552 20 0 JJADRN CC1(C)CO[C@@H](CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC001435319451 1064692790 /nfs/dbraw/zinc/69/27/90/1064692790.db2.gz CYADLGJUKOLFOD-UGKGYDQZSA-N 0 0 450.000 4.544 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1C(F)(F)F ZINC001435320129 1064693623 /nfs/dbraw/zinc/69/36/23/1064693623.db2.gz XZFGWYAGKVGPPB-JKSUJKDBSA-N 0 0 454.514 4.617 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1C(F)(F)F ZINC001435320085 1064693668 /nfs/dbraw/zinc/69/36/68/1064693668.db2.gz VZGUKBXUJXJGAW-MRXNPFEDSA-N 0 0 454.514 4.761 20 0 JJADRN C[C@H]1CN(C(=O)/C=C\c2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320149 1064694378 /nfs/dbraw/zinc/69/43/78/1064694378.db2.gz LFMGYTSHYNOCLF-YDZSZYSISA-N 0 0 450.888 4.674 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccnn2C2CCCC2)c2ccc(Cl)cc2)c1 ZINC001435320416 1064694444 /nfs/dbraw/zinc/69/44/44/1064694444.db2.gz OIRHEMNYKNRTCJ-JOCHJYFZSA-N 0 0 457.983 4.575 20 0 JJADRN C[C@H]1Cc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccc(S(C)(=O)=O)c3)ccc2O1 ZINC001435320375 1064694469 /nfs/dbraw/zinc/69/44/69/1064694469.db2.gz OBFGNUJMPXFIRA-WNSKOXEYSA-N 0 0 455.963 4.586 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)ccc1C(C)C ZINC001435324742 1064697286 /nfs/dbraw/zinc/69/72/86/1064697286.db2.gz SNEZYKJXOPRXOK-UXHICEINSA-N 0 0 457.014 4.841 20 0 JJADRN CN(C(=O)Cn1c2ccccc2n(C)c1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001435324972 1064697309 /nfs/dbraw/zinc/69/73/09/1064697309.db2.gz OISYCDISVHAUPT-UHFFFAOYSA-N 0 0 454.357 4.895 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Oc2ccc(Oc3nccs3)cc2)c1 ZINC001435324443 1064697370 /nfs/dbraw/zinc/69/73/70/1064697370.db2.gz SETWSYWMPFVAND-MRXNPFEDSA-N 0 0 458.561 4.718 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccccc1C ZINC001435324668 1064697399 /nfs/dbraw/zinc/69/73/99/1064697399.db2.gz OMCKHRBRVPJTLA-FQEVSTJZSA-N 0 0 459.468 4.683 20 0 JJADRN CC[C@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)Oc1ccccc1C ZINC001435325803 1064698685 /nfs/dbraw/zinc/69/86/85/1064698685.db2.gz QRHZLFARLUCWQA-LJQANCHMSA-N 0 0 459.015 4.993 20 0 JJADRN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(F)ccc2C1 ZINC001359948044 1064699358 /nfs/dbraw/zinc/69/93/58/1064699358.db2.gz RKQDZUAVKQPJDS-TYKWCNGQSA-N 0 0 457.594 4.797 20 0 JJADRN CC[C@@H](CNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)Oc1ccccc1C ZINC001435326989 1064699252 /nfs/dbraw/zinc/69/92/52/1064699252.db2.gz XWQMPDIZACXCJZ-OFXNXBLFSA-N 0 0 459.575 4.682 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)c1 ZINC001435328501 1064700411 /nfs/dbraw/zinc/70/04/11/1064700411.db2.gz LEHRJPTVVAKXPH-FQEVSTJZSA-N 0 0 451.441 4.767 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C2(Cc3ccc(Cl)cc3)CC2)c2ccccc2)c1 ZINC001435329000 1064700722 /nfs/dbraw/zinc/70/07/22/1064700722.db2.gz BCWTVPOHOYTCBQ-QHCPKHFHSA-N 0 0 453.991 4.972 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001435329001 1064700765 /nfs/dbraw/zinc/70/07/65/1064700765.db2.gz BCXRRGDKQNIIKT-UHFFFAOYSA-N 0 0 455.917 4.856 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001435329886 1064701231 /nfs/dbraw/zinc/70/12/31/1064701231.db2.gz QMGBYICTTMLYBP-KKFJTVDOSA-N 0 0 453.535 4.547 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001435329802 1064701342 /nfs/dbraw/zinc/70/13/42/1064701342.db2.gz IDJQCFWSFMTKTQ-NIYFSFCBSA-N 0 0 459.567 4.916 20 0 JJADRN CCc1ccc([C@@H](NC(=O)CCc2ccc(F)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330325 1064701795 /nfs/dbraw/zinc/70/17/95/1064701795.db2.gz MLTJCAFRAZGVKO-RUZDIDTESA-N 0 0 457.542 4.769 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c2ccccc2)c1 ZINC001435330536 1064701822 /nfs/dbraw/zinc/70/18/22/1064701822.db2.gz PRAMZTKNCZYTGQ-HHHXNRCGSA-N 0 0 458.583 4.924 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001435330426 1064701859 /nfs/dbraw/zinc/70/18/59/1064701859.db2.gz WKTFDVUYQSFWLI-BJKOFHAPSA-N 0 0 455.551 4.601 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(Cl)c3ncccc23)c2ccccc2)c1 ZINC001435330347 1064701880 /nfs/dbraw/zinc/70/18/80/1064701880.db2.gz NHXRFUWUQLUJMK-QFIPXVFZSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1cccc(Cl)c1C(N)=O ZINC001435331117 1064702610 /nfs/dbraw/zinc/70/26/10/1064702610.db2.gz AJEKYZANMHVJLN-UHFFFAOYSA-N 0 0 451.741 4.729 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCCSC2)cc1 ZINC001359949959 1064702785 /nfs/dbraw/zinc/70/27/85/1064702785.db2.gz AOGQXKQPDQUEDW-FQEVSTJZSA-N 0 0 466.655 4.940 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)[C@H]2CCCO[C@H]21 ZINC001435331620 1064703258 /nfs/dbraw/zinc/70/32/58/1064703258.db2.gz GCLKPICDVXBYCR-VAMGGRTRSA-N 0 0 457.368 4.635 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001435331752 1064703705 /nfs/dbraw/zinc/70/37/05/1064703705.db2.gz GYUBBKJVDKSXRY-QDSKXPNFSA-N 0 0 456.627 4.723 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC2=CCCOC2)cc1 ZINC001359950302 1064704373 /nfs/dbraw/zinc/70/43/73/1064704373.db2.gz HLLAXMHHNQJKFS-UHFFFAOYSA-N 0 0 453.612 4.810 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2coc(C3CCCCC3)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435332666 1064704630 /nfs/dbraw/zinc/70/46/30/1064704630.db2.gz LAASSUOWVHPIPM-HSZRJFAPSA-N 0 0 452.576 4.954 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)ccc2NC1=O ZINC001435332960 1064704840 /nfs/dbraw/zinc/70/48/40/1064704840.db2.gz LRMSGPLFNIYLDZ-HXPMCKFVSA-N 0 0 459.333 4.780 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435333159 1064705264 /nfs/dbraw/zinc/70/52/64/1064705264.db2.gz QISSZDRXQIZVEW-FGZHOGPDSA-N 0 0 453.620 4.988 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCSCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435333361 1064705485 /nfs/dbraw/zinc/70/54/85/1064705485.db2.gz ONRYCHHHSGHYSU-VWLOTQADSA-N 0 0 453.629 4.928 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001359950506 1064705512 /nfs/dbraw/zinc/70/55/12/1064705512.db2.gz JVQPHEHYSBWCJQ-ZFGGDYGUSA-N 0 0 488.698 4.820 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001359950529 1064705565 /nfs/dbraw/zinc/70/55/65/1064705565.db2.gz KDXXVIJGLWLVAE-QHCPKHFHSA-N 0 0 464.614 4.612 20 0 JJADRN CC(C)(Cc1cccc(Br)c1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC001435333684 1064705895 /nfs/dbraw/zinc/70/58/95/1064705895.db2.gz QYTAWURFYGFRCR-UHFFFAOYSA-N 0 0 458.322 4.681 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc4sc(N(CC)CC)nc4s3)ccc2NC1=O ZINC001435334334 1064706295 /nfs/dbraw/zinc/70/62/95/1064706295.db2.gz SBFGHQLZOWMQNQ-SWLSCSKDSA-N 0 0 458.609 4.805 20 0 JJADRN CC1(C)[C@H](NC(=O)CCCCCc2ccc(I)cc2)[C@H]2CCCO[C@@H]21 ZINC001435334600 1064706321 /nfs/dbraw/zinc/70/63/21/1064706321.db2.gz VJYWJBKKBRLBCN-RLLQIKCJSA-N 0 0 455.380 4.714 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCCOC2)cc1 ZINC001359950775 1064706505 /nfs/dbraw/zinc/70/65/05/1064706505.db2.gz NSTARPUBCQERDY-LJQANCHMSA-N 0 0 455.628 4.890 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC(C)(C)O)cc1 ZINC001359950710 1064706662 /nfs/dbraw/zinc/70/66/62/1064706662.db2.gz NAGNFNCFBTZNOQ-UHFFFAOYSA-N 0 0 458.006 4.826 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1nc(C)n(-c2ccccc2)n1)C(F)(F)F ZINC001435335634 1064706888 /nfs/dbraw/zinc/70/68/88/1064706888.db2.gz QXNMXDFAMDSKKZ-FQEVSTJZSA-N 0 0 455.440 4.839 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2nc(C(C)C)cs2)cc1 ZINC001359950844 1064707000 /nfs/dbraw/zinc/70/70/00/1064707000.db2.gz OWPRTVREGCHMBQ-IBGZPJMESA-N 0 0 496.681 4.665 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC(=O)N(C)C2CCCCC2)cc1 ZINC001359950857 1064707292 /nfs/dbraw/zinc/70/72/92/1064707292.db2.gz PGCULWXOKRPAOQ-FGZHOGPDSA-N 0 0 497.684 4.775 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC3CCCCC3)n2C[C@@H]2COCCO2)cc1 ZINC001359951021 1064707687 /nfs/dbraw/zinc/70/76/87/1064707687.db2.gz RGPJQKCCNYXRFR-XMMPIXPASA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC3CCCCC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001359951041 1064707834 /nfs/dbraw/zinc/70/78/34/1064707834.db2.gz RSNZONNYJMHZPL-HHHXNRCGSA-N 0 0 467.658 4.865 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951159 1064708221 /nfs/dbraw/zinc/70/82/21/1064708221.db2.gz SUPBVRYUMQIDGG-GMAHTHKFSA-N 0 0 488.698 4.677 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)O[C@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc21 ZINC001435337196 1064708164 /nfs/dbraw/zinc/70/81/64/1064708164.db2.gz ZCKBYXSOZFQSST-JOCHJYFZSA-N 0 0 457.452 4.859 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001435338322 1064708821 /nfs/dbraw/zinc/70/88/21/1064708821.db2.gz CPKFZZCPAFFXJS-UPVQGACJSA-N 0 0 454.611 4.919 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC2=CCCOC2)cc1 ZINC001359951402 1064709885 /nfs/dbraw/zinc/70/98/85/1064709885.db2.gz XCLVPCSOFBAUKO-DEOSSOPVSA-N 0 0 454.615 4.722 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(-c4cscn4)cc3)c2)C1 ZINC001435340379 1064710023 /nfs/dbraw/zinc/71/00/23/1064710023.db2.gz UVEZORATTPLFLB-IRXDYDNUSA-N 0 0 456.589 4.696 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2ncccc2N(C)C)cc1 ZINC001359951606 1064710342 /nfs/dbraw/zinc/71/03/42/1064710342.db2.gz ZSKKPUXLTQWKNX-OYRHEFFESA-N 0 0 462.642 4.972 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCNC(=O)c2cc(F)ccc2Br)o1 ZINC001435341832 1064710428 /nfs/dbraw/zinc/71/04/28/1064710428.db2.gz LIYJITMLQJKWGM-UGSOOPFHSA-N 0 0 451.336 4.609 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001359951653 1064710595 /nfs/dbraw/zinc/71/05/95/1064710595.db2.gz AVZDGPMXUIMSAR-QFQXNSOFSA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359951733 1064710622 /nfs/dbraw/zinc/71/06/22/1064710622.db2.gz DROUDVZTRNCEAE-NMVJMZGASA-N 0 0 497.684 4.536 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CC(C)(C)C2)cc1 ZINC001359951736 1064710757 /nfs/dbraw/zinc/71/07/57/1064710757.db2.gz DTDZLLZIRBQTGC-SANMLTNESA-N 0 0 453.631 4.508 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCOc2ncccc2F)cc1 ZINC001359951726 1064710814 /nfs/dbraw/zinc/71/08/14/1064710814.db2.gz DGRUEYVWWRBJBR-HXUWFJFHSA-N 0 0 483.588 4.598 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)cc1 ZINC001359951801 1064711073 /nfs/dbraw/zinc/71/10/73/1064711073.db2.gz GJFZPEPHNOUAFJ-MUUNZHRXSA-N 0 0 497.684 4.634 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@H]3C)n2CC(=O)NCc2ccco2)cc1 ZINC001359951901 1064711801 /nfs/dbraw/zinc/71/18/01/1064711801.db2.gz IZBMOKQSTAQDPX-WOJBJXKFSA-N 0 0 465.598 4.514 20 0 JJADRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001435343756 1064712270 /nfs/dbraw/zinc/71/22/70/1064712270.db2.gz ARAOVDGMQPMVKU-CYBMUJFWSA-N 0 0 457.739 4.965 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCNC(=O)C(C)C)cc1 ZINC001359951957 1064712276 /nfs/dbraw/zinc/71/22/76/1064712276.db2.gz KFXWJWNPIGYMBM-FQEVSTJZSA-N 0 0 495.590 4.921 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)CC2=O)cc1 ZINC001435344033 1064712750 /nfs/dbraw/zinc/71/27/50/1064712750.db2.gz UTZBXQBOFFPNJH-OAHLLOKOSA-N 0 0 450.564 4.544 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@]2(C)CCCS2)cc1 ZINC001359952064 1064712960 /nfs/dbraw/zinc/71/29/60/1064712960.db2.gz MECQHMYPEJYVBE-FNZWTVRRSA-N 0 0 485.698 4.748 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001359952041 1064713013 /nfs/dbraw/zinc/71/30/13/1064713013.db2.gz LVCRNIBZZMUEKM-UKILVPOCSA-N 0 0 483.701 4.963 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC001435344939 1064713247 /nfs/dbraw/zinc/71/32/47/1064713247.db2.gz JFCBCFIOWPUWEZ-KNQAVFIVSA-N 0 0 458.558 4.910 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCSC2(C)C)cc1 ZINC001359952150 1064713955 /nfs/dbraw/zinc/71/39/55/1064713955.db2.gz NZMWPQMBZXUREF-IRLDBZIGSA-N 0 0 499.725 4.994 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(F)c(Cl)c2)c2cc(F)ccc2F)c1 ZINC001435345619 1064714062 /nfs/dbraw/zinc/71/40/62/1064714062.db2.gz JWZKXMQPOJPBKR-HXUWFJFHSA-N 0 0 453.869 4.680 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(F)c3occc32)c2cc(F)ccc2F)c1 ZINC001435345811 1064714072 /nfs/dbraw/zinc/71/40/72/1064714072.db2.gz OVVSGMTXDBHTTI-OAQYLSRUSA-N 0 0 459.445 4.773 20 0 JJADRN O=C(NCCCNC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccccc1F ZINC001435345684 1064714129 /nfs/dbraw/zinc/71/41/29/1064714129.db2.gz IRNUKGHCLOMWBH-QFIPXVFZSA-N 0 0 458.505 4.874 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001435346576 1064714592 /nfs/dbraw/zinc/71/45/92/1064714592.db2.gz VLJGDLCJGQTTEM-UHFFFAOYSA-N 0 0 454.040 4.512 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001359952357 1064715285 /nfs/dbraw/zinc/71/52/85/1064715285.db2.gz UFUAHZOKNLDRTQ-OREGWCPLSA-N 0 0 470.658 4.782 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC001435348764 1064715562 /nfs/dbraw/zinc/71/55/62/1064715562.db2.gz ZNDKKFBNMIDAFI-YZIHRLCOSA-N 0 0 469.553 4.843 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001359952496 1064715771 /nfs/dbraw/zinc/71/57/71/1064715771.db2.gz XEINLADAELIJFU-PZJWPPBQSA-N 0 0 489.611 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]4CCC[C@@H]43)n2CCCC(=O)N(C)C)cc1 ZINC001359952647 1064716126 /nfs/dbraw/zinc/71/61/26/1064716126.db2.gz YTISDDQHERDPFY-OFNKIYASSA-N 0 0 453.631 4.617 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cc(S(C)(=O)=O)oc2C)c2ccc(F)c(F)c2)c1 ZINC001435349600 1064716206 /nfs/dbraw/zinc/71/62/06/1064716206.db2.gz CXSKJIUQWSNYSX-FQEVSTJZSA-N 0 0 451.516 4.511 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]4CCC[C@H]43)n2CCCC(=O)N(C)C)cc1 ZINC001359952645 1064716320 /nfs/dbraw/zinc/71/63/20/1064716320.db2.gz YTISDDQHERDPFY-NFBKMPQASA-N 0 0 453.631 4.617 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CCCC(=O)N(C)C)cc1 ZINC001359952648 1064716392 /nfs/dbraw/zinc/71/63/92/1064716392.db2.gz YTISDDQHERDPFY-REWPJTCUSA-N 0 0 453.631 4.617 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C12CCCC2 ZINC001435350496 1064716729 /nfs/dbraw/zinc/71/67/29/1064716729.db2.gz RTSRAYSMGJVOJZ-MSOLQXFVSA-N 0 0 459.940 4.824 20 0 JJADRN COC(=O)COc1cccc(C(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1 ZINC001435349849 1064716832 /nfs/dbraw/zinc/71/68/32/1064716832.db2.gz DSPTWKKWDMGLFK-QHCPKHFHSA-N 0 0 457.498 4.758 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001359953463 1064717252 /nfs/dbraw/zinc/71/72/52/1064717252.db2.gz JEJJYLAZKCUIPH-CYFREDJKSA-N 0 0 455.562 4.691 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001359953729 1064717386 /nfs/dbraw/zinc/71/73/86/1064717386.db2.gz SFVCWJDZKSUMCZ-QFIPXVFZSA-N 0 0 456.464 4.536 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001435351936 1064717629 /nfs/dbraw/zinc/71/76/29/1064717629.db2.gz LWQZWCHVEOYKRP-SUMWQHHRSA-N 0 0 457.411 4.750 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@](C)=O)CCC2)CC1 ZINC001359953970 1064717711 /nfs/dbraw/zinc/71/77/11/1064717711.db2.gz AZAZQEGPXRCTMR-YTTGMZPUSA-N 0 0 479.090 4.931 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCS(=O)(=O)c2cccc(Br)c2)o1 ZINC001435351735 1064717699 /nfs/dbraw/zinc/71/76/99/1064717699.db2.gz ZTJWQYVKJIJLLH-KSSFIOAISA-N 0 0 454.386 4.514 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)cc1OCC ZINC001435351462 1064717871 /nfs/dbraw/zinc/71/78/71/1064717871.db2.gz UQBOAKLLEMFFAN-WOJBJXKFSA-N 0 0 454.405 4.643 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001435351932 1064717917 /nfs/dbraw/zinc/71/79/17/1064717917.db2.gz LWQZWCHVEOYKRP-DYVFJYSZSA-N 0 0 457.411 4.750 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001359954145 1064718407 /nfs/dbraw/zinc/71/84/07/1064718407.db2.gz DHEGVAQQWLOKNK-SRUXOGRHSA-N 0 0 456.631 4.535 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001359954230 1064718945 /nfs/dbraw/zinc/71/89/45/1064718945.db2.gz GWGHCWZAJIDUPY-VWLOTQADSA-N 0 0 454.640 4.946 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001435353513 1064719013 /nfs/dbraw/zinc/71/90/13/1064719013.db2.gz ZWOIRQKDCDURDE-LBPRGKRZSA-N 0 0 458.367 4.647 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCC(C)(C)C)cc1 ZINC001359954396 1064719503 /nfs/dbraw/zinc/71/95/03/1064719503.db2.gz GLXBWNMBLJRDOC-OAQYLSRUSA-N 0 0 469.630 4.837 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2ccnc2)CC1 ZINC001359954364 1064719611 /nfs/dbraw/zinc/71/96/11/1064719611.db2.gz IJYLGFVNUZLFQZ-UHFFFAOYSA-N 0 0 450.631 4.841 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)Oc1ccc(N(C)C(=O)c3ccc(Cl)cc3)cc1)CO2 ZINC001435355420 1064719840 /nfs/dbraw/zinc/71/98/40/1064719840.db2.gz BJMFOYYIBVHJAP-GOSISDBHSA-N 0 0 451.906 4.782 20 0 JJADRN O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC001435354727 1064719892 /nfs/dbraw/zinc/71/98/92/1064719892.db2.gz KATITHFVWWGOOT-UHFFFAOYSA-N 0 0 458.486 4.562 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@H]2C)cc1 ZINC001359954369 1064719981 /nfs/dbraw/zinc/71/99/81/1064719981.db2.gz IKGCWWUCVPHGAW-YRKFHGTDSA-N 0 0 456.631 4.535 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001359954622 1064720682 /nfs/dbraw/zinc/72/06/82/1064720682.db2.gz NZEJXOYJVHLJDY-QHCPKHFHSA-N 0 0 497.728 4.995 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001359954720 1064721052 /nfs/dbraw/zinc/72/10/52/1064721052.db2.gz LDCFVCOOHFFIGV-DFIYOIEZSA-N 0 0 458.672 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC(C)(C)O)cc1 ZINC001359954675 1064721086 /nfs/dbraw/zinc/72/10/86/1064721086.db2.gz KDXWVJVPYXRCDJ-JOCHJYFZSA-N 0 0 458.647 4.782 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC=CCO2)CC1 ZINC001359954809 1064721445 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0 455.396 4.745 20 0 JJADRN CC[C@H](C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001435359457 1064723273 /nfs/dbraw/zinc/72/32/73/1064723273.db2.gz AHIPLWSOLKJYHU-YVEFUNNKSA-N 0 0 459.337 4.789 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)/C=C/c1ccsc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC001435359671 1064723817 /nfs/dbraw/zinc/72/38/17/1064723817.db2.gz BNIISTSRMGOBEE-QPJJXVBHSA-N 0 0 455.454 4.884 20 0 JJADRN Cc1cc(C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)nn1-c1ccccc1Br ZINC001435360457 1064724126 /nfs/dbraw/zinc/72/41/26/1064724126.db2.gz GKKUIOIUWCJBPK-UHFFFAOYSA-N 0 0 454.303 4.652 20 0 JJADRN COc1cc(NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1Br ZINC001435361396 1064724142 /nfs/dbraw/zinc/72/41/42/1064724142.db2.gz KBDAUAYKEKGODL-LAUBAEHRSA-N 0 0 453.377 4.966 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CC(F)(F)CO2)cc1 ZINC001359955495 1064724474 /nfs/dbraw/zinc/72/44/74/1064724474.db2.gz WTIQWKFPKMOGLY-PXNSSMCTSA-N 0 0 466.598 4.736 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H]4C[C@]3(C)CCC4)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359955566 1064724639 /nfs/dbraw/zinc/72/46/39/1064724639.db2.gz XYQSZERNHASUJQ-KOSHJBKYSA-N 0 0 493.574 4.817 20 0 JJADRN O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001359956511 1064725240 /nfs/dbraw/zinc/72/52/40/1064725240.db2.gz SRIOHBVSVSYWTK-LJQANCHMSA-N 0 0 451.533 4.904 20 0 JJADRN NC(=O)C[C@@H](NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)C1CCCCC1 ZINC001435365132 1064725817 /nfs/dbraw/zinc/72/58/17/1064725817.db2.gz XDHRMKQGQONINM-HSZRJFAPSA-N 0 0 453.533 4.986 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3ccc(OC4CCCC4)cc3)CCCC2)cc1OC ZINC001435366319 1064726125 /nfs/dbraw/zinc/72/61/25/1064726125.db2.gz RLSDABHWBBCGTI-UHFFFAOYSA-N 0 0 452.551 4.707 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)[C@H](C)c2ccccc2)C1 ZINC001435365768 1064726156 /nfs/dbraw/zinc/72/61/56/1064726156.db2.gz FVAFOCCMHIGEAV-NSHGMRRFSA-N 0 0 457.412 4.918 20 0 JJADRN 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ZINC001359958565 1064728717 /nfs/dbraw/zinc/72/87/17/1064728717.db2.gz ZURVYZIXOZIORT-UHFFFAOYSA-N 0 0 478.563 4.891 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001359958609 1064728828 /nfs/dbraw/zinc/72/88/28/1064728828.db2.gz BFOPLJBZKFHOBM-RBBKRZOGSA-N 0 0 493.693 4.664 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001359958698 1064729320 /nfs/dbraw/zinc/72/93/20/1064729320.db2.gz FBUAOOUBQPYFCI-UHFFFAOYSA-N 0 0 474.049 4.500 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001435375809 1064729572 /nfs/dbraw/zinc/72/95/72/1064729572.db2.gz DNAINYKIQRIANY-KAYWLYCHSA-N 0 0 456.586 4.798 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001359958861 1064729797 /nfs/dbraw/zinc/72/97/97/1064729797.db2.gz KDUWFPNQLGNXHW-XMMPIXPASA-N 0 0 454.659 4.910 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001359958893 1064729846 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DBKPTDMBZOCBMU-UHFFFAOYSA-N 0 0 454.456 4.708 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC001359960286 1064732200 /nfs/dbraw/zinc/73/22/00/1064732200.db2.gz LZAHQYGSRCSRAE-PMACEKPBSA-N 0 0 452.620 4.910 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001359961038 1064733191 /nfs/dbraw/zinc/73/31/91/1064733191.db2.gz LSNRDWADAICVOG-QFIPXVFZSA-N 0 0 458.006 4.957 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC001435385213 1064733260 /nfs/dbraw/zinc/73/32/60/1064733260.db2.gz JPDATMYMUXKDJN-HXUWFJFHSA-N 0 0 457.498 4.587 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001359961037 1064733209 /nfs/dbraw/zinc/73/32/09/1064733209.db2.gz LSNRDWADAICVOG-JOCHJYFZSA-N 0 0 458.006 4.957 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001359960998 1064733395 /nfs/dbraw/zinc/73/33/95/1064733395.db2.gz KQWCYQXPQYJVRA-PMACEKPBSA-N 0 0 498.594 4.682 20 0 JJADRN CC(C)CCOCCCn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001359961264 1064733934 /nfs/dbraw/zinc/73/39/34/1064733934.db2.gz RVCXJYLLVFQCMY-QGZVFWFLSA-N 0 0 456.541 4.590 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)Cc2csc(-c3ccccc3)n2)n1 ZINC001435385956 1064733808 /nfs/dbraw/zinc/73/38/08/1064733808.db2.gz KUIVIVXZEMBRTD-UHFFFAOYSA-N 0 0 454.939 4.884 20 0 JJADRN C[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001435385998 1064733944 /nfs/dbraw/zinc/73/39/44/1064733944.db2.gz PXYOFXHXLJAEKM-MRXNPFEDSA-N 0 0 452.448 4.510 20 0 JJADRN CC(C)C(=O)Nc1cc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)ccn1 ZINC001435386845 1064734529 /nfs/dbraw/zinc/73/45/29/1064734529.db2.gz UUHXRLJLWBNTEP-IBGZPJMESA-N 0 0 456.546 4.506 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)OCc2ccc(Cl)cc2Cl)C1 ZINC001435386975 1064734823 /nfs/dbraw/zinc/73/48/23/1064734823.db2.gz OJGGNUXPCHCUJX-PGRDOPGGSA-N 0 0 452.334 4.853 20 0 JJADRN CCCCCCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC001435389336 1064735604 /nfs/dbraw/zinc/73/56/04/1064735604.db2.gz FBTAWLKXCPMGGR-ZTFGCOKTSA-N 0 0 466.003 4.738 20 0 JJADRN CC(C)CCOCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001359962324 1064736021 /nfs/dbraw/zinc/73/60/21/1064736021.db2.gz VFHGQASKGCZULU-OAQYLSRUSA-N 0 0 477.694 4.909 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 ZINC001359962455 1064736037 /nfs/dbraw/zinc/73/60/37/1064736037.db2.gz YRQJHUJKCLVPCY-UXHICEINSA-N 0 0 481.707 4.745 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)nc1C ZINC001435391788 1064735895 /nfs/dbraw/zinc/73/58/95/1064735895.db2.gz BQYSIEGNZVWFNS-UHFFFAOYSA-N 0 0 452.536 4.511 20 0 JJADRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435391940 1064735995 /nfs/dbraw/zinc/73/59/95/1064735995.db2.gz GZPHIFKRJHFNCU-IIBYNOLFSA-N 0 0 459.377 4.639 20 0 JJADRN COc1ccc(-n2nnc(C(=O)OCc3ccc(OC)c(SC(F)(F)F)c3)c2C)cc1 ZINC001435391805 1064736119 /nfs/dbraw/zinc/73/61/19/1064736119.db2.gz BVEYNWYLXLVYLZ-UHFFFAOYSA-N 0 0 453.442 4.562 20 0 JJADRN CC(C)CCOCCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001359963871 1064736210 /nfs/dbraw/zinc/73/62/10/1064736210.db2.gz DSFYHYPBPULRKP-KRWDZBQOSA-N 0 0 465.436 4.774 20 0 JJADRN COc1ccc(COC(=O)C2(NC(=O)OCc3ccccc3)CC2)cc1SC(F)(F)F ZINC001435392935 1064736652 /nfs/dbraw/zinc/73/66/52/1064736652.db2.gz LSASDBCLTUUVNA-UHFFFAOYSA-N 0 0 455.454 4.809 20 0 JJADRN COc1ccc(COC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1SC(F)(F)F ZINC001435392614 1064736733 /nfs/dbraw/zinc/73/67/33/1064736733.db2.gz NBZWGFXABGSARX-MRXNPFEDSA-N 0 0 455.454 4.934 20 0 JJADRN CC(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359963939 1064736861 /nfs/dbraw/zinc/73/68/61/1064736861.db2.gz GAZVTCAKAIXVPM-IRXDYDNUSA-N 0 0 454.587 4.939 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2I)c1)c1ccco1 ZINC001435394481 1064737180 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4.666 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 ZINC001435398668 1064739415 /nfs/dbraw/zinc/73/94/15/1064739415.db2.gz BKSIECYJIHDXGJ-CQSZACIVSA-N 0 0 456.905 4.719 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)COc2ccc3ccc(=O)oc3c2)n1 ZINC001435398897 1064739896 /nfs/dbraw/zinc/73/98/96/1064739896.db2.gz DIUPKMGUNLIOEX-UHFFFAOYSA-N 0 0 453.882 4.712 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001359964975 1064739760 /nfs/dbraw/zinc/73/97/60/1064739760.db2.gz MKWJDWMSOVWIJY-UHFFFAOYSA-N 0 0 460.985 4.838 20 0 JJADRN COC[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 ZINC001435401106 1064740131 /nfs/dbraw/zinc/74/01/31/1064740131.db2.gz IIYYTLRXCRBNPI-DEOSSOPVSA-N 0 0 455.558 4.595 20 0 JJADRN CCc1nc(C(=O)NC[C@H](CC)Oc2cccc(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001435401856 1064740716 /nfs/dbraw/zinc/74/07/16/1064740716.db2.gz KQWRZOMHJDHDDU-AWEZNQCLSA-N 0 0 451.329 4.863 20 0 JJADRN O=C(c1csc(-c2ccccc2Cl)n1)N1CCC(n2cc(Br)cn2)CC1 ZINC001359965977 1064740841 /nfs/dbraw/zinc/74/08/41/1064740841.db2.gz HOGSFAGHDNPGFT-UHFFFAOYSA-N 0 0 451.777 4.900 20 0 JJADRN O=C(CCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359965777 1064741052 /nfs/dbraw/zinc/74/10/52/1064741052.db2.gz ATBMCKHPKDGBNM-INIZCTEOSA-N 0 0 457.290 4.675 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359966052 1064741148 /nfs/dbraw/zinc/74/11/48/1064741148.db2.gz JEMVLYUREACZJY-GOSISDBHSA-N 0 0 453.384 4.767 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC001435403436 1064741324 /nfs/dbraw/zinc/74/13/24/1064741324.db2.gz FFXZDPCLAZYJQG-GOSISDBHSA-N 0 0 453.167 4.901 20 0 JJADRN CC(C)[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccnc1 ZINC001435403272 1064741352 /nfs/dbraw/zinc/74/13/52/1064741352.db2.gz JSHXFWXVDNWNQL-SFHVURJKSA-N 0 0 454.924 4.921 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)NC[C@H](c3cccnc3)C(C)C)CC2)c2ccccc12 ZINC001435403283 1064741361 /nfs/dbraw/zinc/74/13/61/1064741361.db2.gz JVIZGDNNEHSGMS-VWLOTQADSA-N 0 0 459.590 4.652 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n(C)n1 ZINC001435404082 1064741703 /nfs/dbraw/zinc/74/17/03/1064741703.db2.gz KRUOGTZJEHKADP-HXUWFJFHSA-N 0 0 452.530 4.782 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001435403443 1064741776 /nfs/dbraw/zinc/74/17/76/1064741776.db2.gz FFXZDPCLAZYJQG-SFHVURJKSA-N 0 0 453.167 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)C1 ZINC001359966223 1064741721 /nfs/dbraw/zinc/74/17/21/1064741721.db2.gz NPZITTZKUDVBHY-QRWLVFNGSA-N 0 0 456.493 4.903 20 0 JJADRN CC[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001435405979 1064742051 /nfs/dbraw/zinc/74/20/51/1064742051.db2.gz IATDENSWFYZQJC-YJBOKZPZSA-N 0 0 450.398 4.617 20 0 JJADRN CC(C)CCOCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001359967546 1064742692 /nfs/dbraw/zinc/74/26/92/1064742692.db2.gz VDWNAVPQPLOMNF-UHFFFAOYSA-N 0 0 459.679 4.617 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC001435406499 1064742786 /nfs/dbraw/zinc/74/27/86/1064742786.db2.gz XKWBRNVKWDQIJH-UHFFFAOYSA-N 0 0 453.173 4.932 20 0 JJADRN Cc1ccc(NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1N1CCOC1=O ZINC001435409816 1064743701 /nfs/dbraw/zinc/74/37/01/1064743701.db2.gz XCKQZXKMFRRBQM-NRFANRHFSA-N 0 0 451.523 4.772 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)[C@@H](C)Cc2cncc3ccccc32)ccn1 ZINC001435411955 1064744400 /nfs/dbraw/zinc/74/44/00/1064744400.db2.gz SFBDHNSAXRVLEC-SFHVURJKSA-N 0 0 454.530 4.907 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359968527 1064744428 /nfs/dbraw/zinc/74/44/28/1064744428.db2.gz YYEXIVSZJRDGEJ-HSZRJFAPSA-N 0 0 486.554 4.600 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC001359969633 1064745347 /nfs/dbraw/zinc/74/53/47/1064745347.db2.gz NYQQYXGZGTWDSR-UHFFFAOYSA-N 0 0 456.542 4.507 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)NCC2(Sc3ccccc3)CCCC2)cc1 ZINC001359969558 1064745362 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CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nc(C(C)(C)C)c(C(=O)OC)s2)CC1=O ZINC001435420104 1064748531 /nfs/dbraw/zinc/74/85/31/1064748531.db2.gz UHCIKKKHPMSUKP-CABCVRRESA-N 0 0 457.596 4.732 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)Cc3ccc(C(F)(F)F)cc3)cc2)c1C ZINC001359972188 1064748604 /nfs/dbraw/zinc/74/86/04/1064748604.db2.gz IPQSYFQVNDPURG-HNNXBMFYSA-N 0 0 459.468 4.737 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001359972061 1064748798 /nfs/dbraw/zinc/74/87/98/1064748798.db2.gz HSBWYIRGTYAMKR-LBPRGKRZSA-N 0 0 451.470 4.606 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)nc1 ZINC001435419852 1064748659 /nfs/dbraw/zinc/74/86/59/1064748659.db2.gz QUSDQDJXRLDELS-UHFFFAOYSA-N 0 0 452.486 4.723 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001359972743 1064749755 /nfs/dbraw/zinc/74/97/55/1064749755.db2.gz UDFBAGXNPBMUSJ-AOMKIAJQSA-N 0 0 452.448 4.503 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001359972749 1064749806 /nfs/dbraw/zinc/74/98/06/1064749806.db2.gz UDFBAGXNPBMUSJ-ZHRRBRCNSA-N 0 0 452.448 4.503 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001359973052 1064749820 /nfs/dbraw/zinc/74/98/20/1064749820.db2.gz IBRAQCWSWJLSFQ-UHFFFAOYSA-N 0 0 454.022 4.765 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001359972746 1064749887 /nfs/dbraw/zinc/74/98/87/1064749887.db2.gz UDFBAGXNPBMUSJ-OPAMFIHVSA-N 0 0 452.448 4.503 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC001359972658 1064749976 /nfs/dbraw/zinc/74/99/76/1064749976.db2.gz RPMWHUOYTQOEBQ-UHFFFAOYSA-N 0 0 457.603 4.824 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CCOCC(F)(F)C(F)F ZINC001359973338 1064750259 /nfs/dbraw/zinc/75/02/59/1064750259.db2.gz OPIWYOGNFDIOBC-UHFFFAOYSA-N 0 0 467.305 4.717 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001359973240 1064750452 /nfs/dbraw/zinc/75/04/52/1064750452.db2.gz LVWJPRQDFAAFAT-QGZVFWFLSA-N 0 0 476.643 4.730 20 0 JJADRN CN(C(=O)c1ncc(Br)cc1Br)[C@@H](c1ccccc1)C(F)(F)F ZINC001359973210 1064750530 /nfs/dbraw/zinc/75/05/30/1064750530.db2.gz ZYCGAIFSVWYUQQ-ZDUSSCGKSA-N 0 0 452.068 4.982 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC001435423603 1064750496 /nfs/dbraw/zinc/75/04/96/1064750496.db2.gz LLKTXXDZSCWGPF-WIYYLYMNSA-N 0 0 454.998 4.681 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)c2)cc1 ZINC001435425623 1064751069 /nfs/dbraw/zinc/75/10/69/1064751069.db2.gz WOZDWGKGZFXMKB-LJQANCHMSA-N 0 0 450.560 4.556 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)NC(C)(C)C ZINC001359973492 1064751102 /nfs/dbraw/zinc/75/11/02/1064751102.db2.gz UQIPIOMJLDWXHG-UHFFFAOYSA-N 0 0 453.587 4.514 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001359973396 1064751162 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JJADRN C[C@H](c1ccccc1)c1ccc(OC(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)cc1 ZINC001359974607 1064751971 /nfs/dbraw/zinc/75/19/71/1064751971.db2.gz HXJADZNVNTXMQL-GOSISDBHSA-N 0 0 450.539 4.564 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 ZINC001359975185 1064751987 /nfs/dbraw/zinc/75/19/87/1064751987.db2.gz ILQSZZILCOMOIA-UHFFFAOYSA-N 0 0 459.527 4.509 20 0 JJADRN CCCCO[C@H]1C[C@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(C)C ZINC001435428696 1064752215 /nfs/dbraw/zinc/75/22/15/1064752215.db2.gz LZWMQVJOBVJKRJ-STQMWFEESA-N 0 0 453.723 4.797 20 0 JJADRN COc1cc(F)c(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)c(F)c1 ZINC001435430028 1064752288 /nfs/dbraw/zinc/75/22/88/1064752288.db2.gz UYIFJTAKACAHOS-UHFFFAOYSA-N 0 0 450.239 4.916 20 0 JJADRN CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)c1nccs1 ZINC001359976009 1064752507 /nfs/dbraw/zinc/75/25/07/1064752507.db2.gz BYEMAPZCQBBKOF-KRWDZBQOSA-N 0 0 465.627 4.588 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C1(c2ccc(C)cc2)CCOCC1 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CC(C)CN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](N1CCOCC1)C(F)(F)F)C(C)C ZINC001359984552 1064762195 /nfs/dbraw/zinc/76/21/95/1064762195.db2.gz AKAKYPHOTWLCEH-NRFANRHFSA-N 0 0 479.547 4.825 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)c2ccccc2)cc1Br ZINC001359984837 1064762680 /nfs/dbraw/zinc/76/26/80/1064762680.db2.gz MTZCPFKENGTNIK-AUSIDOKSSA-N 0 0 452.348 4.915 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(F)c(F)c1F)C(C)C ZINC001359984646 1064762759 /nfs/dbraw/zinc/76/27/59/1064762759.db2.gz BTHYURNGTIMNFF-XMMPIXPASA-N 0 0 468.564 4.850 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)c1ccco1)C1CCCC1 ZINC001359985259 1064763787 /nfs/dbraw/zinc/76/37/87/1064763787.db2.gz KFDNZNWVYASSMI-HSZRJFAPSA-N 0 0 490.446 4.952 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCOC1)C(C)C ZINC001359985254 1064763966 /nfs/dbraw/zinc/76/39/66/1064763966.db2.gz JZBNJLIEDRNUJK-DEOSSOPVSA-N 0 0 458.603 4.835 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)Nc1c(Cl)ncnc1-n1cccn1 ZINC001435449382 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NYLQZLYXXBPRAU-UHFFFAOYSA-N 0 0 471.447 4.939 20 0 JJADRN CN(C(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1)C1CCC(C)(C)CC1 ZINC001435476385 1064779679 /nfs/dbraw/zinc/77/96/79/1064779679.db2.gz XTOALPYZESQRSY-UHFFFAOYSA-N 0 0 456.446 4.963 20 0 JJADRN COc1ccc(F)c(NC(=O)c2cc(I)ccc2N2CCCCC2)c1 ZINC001435475968 1064779770 /nfs/dbraw/zinc/77/97/70/1064779770.db2.gz VBYSFTTVJNQXLP-UHFFFAOYSA-N 0 0 454.283 4.682 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001359995112 1064779756 /nfs/dbraw/zinc/77/97/56/1064779756.db2.gz WAWXMZNVGYBXQB-WNNBVUDTSA-N 0 0 478.460 4.637 20 0 JJADRN CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001359995215 1064780370 /nfs/dbraw/zinc/78/03/70/1064780370.db2.gz BZFOHGGAOIDJDW-JKSUJKDBSA-N 0 0 464.632 4.727 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001359995345 1064780515 /nfs/dbraw/zinc/78/05/15/1064780515.db2.gz LBWRCGDTHOKUBR-OAQYLSRUSA-N 0 0 477.447 4.918 20 0 JJADRN 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ZINC001435484319 1064784436 /nfs/dbraw/zinc/78/44/36/1064784436.db2.gz NSIODVKXRVBWHU-KXBFYZLASA-N 0 0 451.748 4.659 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3Br)CCC(=O)N2C)cc1 ZINC001435484314 1064784451 /nfs/dbraw/zinc/78/44/51/1064784451.db2.gz NSIODVKXRVBWHU-DNVCBOLYSA-N 0 0 451.748 4.659 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)c1C ZINC001359998322 1064784489 /nfs/dbraw/zinc/78/44/89/1064784489.db2.gz FWDDHDDYSXXVRK-FQEVSTJZSA-N 0 0 452.967 4.568 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001359998912 1064784820 /nfs/dbraw/zinc/78/48/20/1064784820.db2.gz JVAXFATWPWVDDT-UHFFFAOYSA-N 0 0 455.986 4.994 20 0 JJADRN CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001359998904 1064784854 /nfs/dbraw/zinc/78/48/54/1064784854.db2.gz JOJYXVWMGYGWBX-CQSZACIVSA-N 0 0 453.391 4.971 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)N1Cc2ccccc2C1=O ZINC001359998902 1064784925 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CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360000401 1064786474 /nfs/dbraw/zinc/78/64/74/1064786474.db2.gz JEYRSQXUHQJRFV-QUCCMNQESA-N 0 0 459.610 4.794 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001360001058 1064787020 /nfs/dbraw/zinc/78/70/20/1064787020.db2.gz CORYICGDTRUYRE-FGZHOGPDSA-N 0 0 483.657 4.954 20 0 JJADRN Cc1cc(SCC(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)c(C)cc1Br ZINC001435489980 1064787103 /nfs/dbraw/zinc/78/71/03/1064787103.db2.gz KFCAPBHWPJGUAH-INIZCTEOSA-N 0 0 455.805 4.544 20 0 JJADRN CC(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001360001616 1064787363 /nfs/dbraw/zinc/78/73/63/1064787363.db2.gz XBUOVDQILMWQSD-IBGZPJMESA-N 0 0 475.609 4.703 20 0 JJADRN NC(=O)C[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1 ZINC001435490557 1064787486 /nfs/dbraw/zinc/78/74/86/1064787486.db2.gz JMHKVQHPADEPGL-CQSZACIVSA-N 0 0 455.889 4.634 20 0 JJADRN CC(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360001510 1064787661 /nfs/dbraw/zinc/78/76/61/1064787661.db2.gz RMQDYOQNRNUOQN-UHFFFAOYSA-N 0 0 459.557 4.827 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC001360002278 1064788082 /nfs/dbraw/zinc/78/80/82/1064788082.db2.gz IJEQQWHACSSWRA-DVECYGJZSA-N 0 0 458.583 4.870 20 0 JJADRN COc1cc(CCC(=O)N[C@@H](C)Cc2nc3ccccc3s2)ccc1OCC(F)(F)F ZINC001435494631 1064788631 /nfs/dbraw/zinc/78/86/31/1064788631.db2.gz CBGWZJVLSFHTHL-AWEZNQCLSA-N 0 0 452.498 4.926 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cn1cnc2c(C)cccc2c1=O ZINC001360002442 1064788692 /nfs/dbraw/zinc/78/86/92/1064788692.db2.gz KWOHXKMBXASGAB-CQSZACIVSA-N 0 0 452.967 4.668 20 0 JJADRN O=C(Cc1cc(-c2ccccc2)on1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001435495490 1064789111 /nfs/dbraw/zinc/78/91/11/1064789111.db2.gz NQEWDMSPLSQPCU-UHFFFAOYSA-N 0 0 451.280 4.868 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1)ccc2Br ZINC001360003747 1064789595 /nfs/dbraw/zinc/78/95/95/1064789595.db2.gz WRVBLJMSRWJRPH-GOSISDBHSA-N 0 0 459.365 4.966 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001435496544 1064789925 /nfs/dbraw/zinc/78/99/25/1064789925.db2.gz KRGPZCQZUAFEKZ-AWEZNQCLSA-N 0 0 452.383 4.680 20 0 JJADRN COc1ccc(CCNC(=O)C(F)(F)c2ccccc2Br)cc1OC(F)F ZINC001360003998 1064790061 /nfs/dbraw/zinc/79/00/61/1064790061.db2.gz BHVSNACCQIBMRK-UHFFFAOYSA-N 0 0 450.226 4.510 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NCC(C)(C)c2cccc(Br)c2)c1Br ZINC001360004065 1064790291 /nfs/dbraw/zinc/79/02/91/1064790291.db2.gz DQGGUUOCLFEDKA-UHFFFAOYSA-N 0 0 457.210 4.871 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc2c(c1)nnn2C ZINC001435498445 1064790642 /nfs/dbraw/zinc/79/06/42/1064790642.db2.gz PNRMBAYYDXESFB-NSHDSACASA-N 0 0 456.369 4.654 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360004417 1064790629 /nfs/dbraw/zinc/79/06/29/1064790629.db2.gz KEQSLKAQEGNYGJ-UHFFFAOYSA-N 0 0 467.580 4.885 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360004478 1064790796 /nfs/dbraw/zinc/79/07/96/1064790796.db2.gz LNNWSLSLIZQOQL-UHFFFAOYSA-N 0 0 455.647 4.505 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001435501243 1064791645 /nfs/dbraw/zinc/79/16/45/1064791645.db2.gz SDFIUPWNXCVRNF-UHFFFAOYSA-N 0 0 455.139 4.880 20 0 JJADRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360005013 1064791883 /nfs/dbraw/zinc/79/18/83/1064791883.db2.gz ZLCYLWKODYVVKG-GOSISDBHSA-N 0 0 451.409 4.527 20 0 JJADRN C[C@H](NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1ccc(OCC2CC2)c(F)c1 ZINC001435502025 1064792109 /nfs/dbraw/zinc/79/21/09/1064792109.db2.gz DZKHFBTWNDOGIQ-GKVSMKOHSA-N 0 0 458.505 4.543 20 0 JJADRN CN(C(=O)Cc1cccc(N2CCCC2=O)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC001360005404 1064792276 /nfs/dbraw/zinc/79/22/76/1064792276.db2.gz MPJWXJCNPTTZCC-IBGZPJMESA-N 0 0 459.409 4.814 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)NCC(C)(C)c2cccc(Br)c2)n1 ZINC001360005083 1064792452 /nfs/dbraw/zinc/79/24/52/1064792452.db2.gz ZWXPSYXGLBLWEN-UHFFFAOYSA-N 0 0 457.210 4.871 20 0 JJADRN Cc1ccc(I)cc1C(=O)OCc1noc(-c2cccc(Cl)c2)n1 ZINC001435503500 1064792744 /nfs/dbraw/zinc/79/27/44/1064792744.db2.gz NIRGVIZFPITQAQ-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN Cc1nn(Cc2ccccc2)c2sc(C(=O)NC(C)(C)C(=O)NCC3CCCCC3)cc12 ZINC001435503123 1064792855 /nfs/dbraw/zinc/79/28/55/1064792855.db2.gz CPPXEVNWYMWRCU-UHFFFAOYSA-N 0 0 452.624 4.659 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001360005878 1064792858 /nfs/dbraw/zinc/79/28/58/1064792858.db2.gz FPPRBERJRAXTOH-CDXJDZJCSA-N 0 0 491.583 4.561 20 0 JJADRN CCc1sc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C(N)=O)c1C ZINC001435503368 1064792922 /nfs/dbraw/zinc/79/29/22/1064792922.db2.gz YMGXLJNYSQPWLT-UHFFFAOYSA-N 0 0 456.951 4.620 20 0 JJADRN Cn1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c(Br)c1C(F)(F)F ZINC001435503863 1064793337 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JYXGLPPXQBDVJA-HXUWFJFHSA-N 0 0 455.580 4.649 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001360006889 1064793959 /nfs/dbraw/zinc/79/39/59/1064793959.db2.gz YSFRELGXRKXAAV-HJNYFJLDSA-N 0 0 469.630 4.973 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c(OC[C@@H]2CCCO2)c1 ZINC001435506589 1064794127 /nfs/dbraw/zinc/79/41/27/1064794127.db2.gz CLVDWBUJFLFTGU-VWLOTQADSA-N 0 0 458.558 4.759 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Oc4nccc(C)n4)cc3)CCCC2)cc1 ZINC001435506394 1064794209 /nfs/dbraw/zinc/79/42/09/1064794209.db2.gz AJAPKEZLEFKDRH-UHFFFAOYSA-N 0 0 451.548 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC001435506664 1064794556 /nfs/dbraw/zinc/79/45/56/1064794556.db2.gz FBMSQBTWHZHRSS-UHFFFAOYSA-N 0 0 458.584 4.607 20 0 JJADRN COc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)ccc1OC1CCCC1 ZINC001360007379 1064794639 /nfs/dbraw/zinc/79/46/39/1064794639.db2.gz UGIOAGSCVHKIIL-OAQYLSRUSA-N 0 0 454.592 4.787 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)CCc1ccc(-c3ccccc3F)o1)CC2 ZINC001435509102 1064795548 /nfs/dbraw/zinc/79/55/48/1064795548.db2.gz LIGNVXYKIFOVGA-UHFFFAOYSA-N 0 0 453.510 4.672 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001435508942 1064795752 /nfs/dbraw/zinc/79/57/52/1064795752.db2.gz DNBCLTIQVDHQMR-SFHVURJKSA-N 0 0 459.955 4.635 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)CC2 ZINC001435510330 1064796598 /nfs/dbraw/zinc/79/65/98/1064796598.db2.gz SBABMEPCUVTDCL-UHFFFAOYSA-N 0 0 451.485 4.636 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001435510283 1064796713 /nfs/dbraw/zinc/79/67/13/1064796713.db2.gz QYIFMHCNLQSNDM-SNVBAGLBSA-N 0 0 459.569 4.725 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001435510390 1064797008 /nfs/dbraw/zinc/79/70/08/1064797008.db2.gz TXSQLKWFNJUBBX-HXUWFJFHSA-N 0 0 459.468 4.717 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC001435512807 1064798170 /nfs/dbraw/zinc/79/81/70/1064798170.db2.gz DGUBLZMLERKRBE-UHFFFAOYSA-N 0 0 454.548 4.559 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCCOc1ncc(Cl)cc1Cl ZINC001435512858 1064798347 /nfs/dbraw/zinc/79/83/47/1064798347.db2.gz ISODPZMVOWRGGM-UHFFFAOYSA-N 0 0 455.345 4.524 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001435513377 1064798714 /nfs/dbraw/zinc/79/87/14/1064798714.db2.gz JWKLIBWGGAOFFX-UHFFFAOYSA-N 0 0 454.448 4.932 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC(F)F)c1 ZINC001435515070 1064799121 /nfs/dbraw/zinc/79/91/21/1064799121.db2.gz CBIYOOIRRQPJEZ-UHFFFAOYSA-N 0 0 452.523 4.536 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001435515745 1064799214 /nfs/dbraw/zinc/79/92/14/1064799214.db2.gz DWVJRVMDQNZAAX-MSOLQXFVSA-N 0 0 458.288 4.684 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC001435515164 1064799291 /nfs/dbraw/zinc/79/92/91/1064799291.db2.gz 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ZINC001435566642 1064838034 /nfs/dbraw/zinc/83/80/34/1064838034.db2.gz INMDGDCMWLGWKP-IBGZPJMESA-N 0 0 458.605 4.627 20 0 JJADRN C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC001435567128 1064838107 /nfs/dbraw/zinc/83/81/07/1064838107.db2.gz VWFAQOKMUXSSJH-GTNSWQLSSA-N 0 0 456.167 4.559 20 0 JJADRN Cc1sc(C(N)=O)cc1NC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001435568717 1064839008 /nfs/dbraw/zinc/83/90/08/1064839008.db2.gz YRHGQHDGXUBOQU-UHFFFAOYSA-N 0 0 457.596 4.597 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001435568992 1064839603 /nfs/dbraw/zinc/83/96/03/1064839603.db2.gz KHSPSCZWUUFKGV-AWEZNQCLSA-N 0 0 452.414 4.645 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCC2(F)F)[C@H](C)C1=O ZINC001360035019 1064840021 /nfs/dbraw/zinc/84/00/21/1064840021.db2.gz ZZEJUMYYYJASJD-RTBURBONSA-N 0 0 493.574 4.515 20 0 JJADRN CC1(C)CC[C@@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)c2ccccc21 ZINC001435570765 1064840514 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Cc1c(NC(=O)c2nn(-c3ccccc3F)cc2Br)cnn1-c1ccccc1F ZINC001435614147 1064877908 /nfs/dbraw/zinc/87/79/08/1064877908.db2.gz USBORJGHNOHZCV-UHFFFAOYSA-N 0 0 458.266 4.659 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360051506 1064878132 /nfs/dbraw/zinc/87/81/32/1064878132.db2.gz CNRQFIQOKNQNOA-QFIPXVFZSA-N 0 0 466.630 4.546 20 0 JJADRN CC(C)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)c1 ZINC001360051343 1064878167 /nfs/dbraw/zinc/87/81/67/1064878167.db2.gz BNIJOLGJJCMIJR-XMMPIXPASA-N 0 0 456.631 4.592 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC001360051283 1064878219 /nfs/dbraw/zinc/87/82/19/1064878219.db2.gz AKLDUHVEUWLSLO-NRFANRHFSA-N 0 0 470.658 4.724 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001360051565 1064878850 /nfs/dbraw/zinc/87/88/50/1064878850.db2.gz DCZGDMOLRFZPGY-UHFFFAOYSA-N 0 0 499.597 4.972 20 0 JJADRN CS[C@@H]1CCCCN(C(=O)c2cc(I)ccc2N2CCCCC2)C1 ZINC001435616975 1064879186 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Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001435626728 1064887900 /nfs/dbraw/zinc/88/79/00/1064887900.db2.gz XUMLHHZNPMNCRB-JTQLQIEISA-N 0 0 454.367 4.707 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2cccc(Cl)c2)cc1 ZINC001435626438 1064887918 /nfs/dbraw/zinc/88/79/18/1064887918.db2.gz MQQSFZPIDRWIIF-YADARESESA-N 0 0 452.938 4.586 20 0 JJADRN COC(=O)C[C@H]1CCCN1C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC001435626579 1064887934 /nfs/dbraw/zinc/88/79/34/1064887934.db2.gz NTFXTLGAWOHRQZ-QGZVFWFLSA-N 0 0 452.334 4.749 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626943 1064889028 /nfs/dbraw/zinc/88/90/28/1064889028.db2.gz VXOPMPAJZJAQEW-NBGIEHNGSA-N 0 0 450.627 4.869 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001360057282 1064890163 /nfs/dbraw/zinc/89/01/63/1064890163.db2.gz JPLDICFRZUYGNP-IOMROCGXSA-N 0 0 477.447 4.510 20 0 JJADRN Cc1nc(C(=O)NCc2ccc(Br)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001360057160 1064890185 /nfs/dbraw/zinc/89/01/85/1064890185.db2.gz JZXLXRHJDSBSHQ-UHFFFAOYSA-N 0 0 458.118 4.714 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)C1 ZINC001360057157 1064890228 /nfs/dbraw/zinc/89/02/28/1064890228.db2.gz INAQXPUWZNHPML-INIZCTEOSA-N 0 0 451.384 4.898 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001360057528 1064890849 /nfs/dbraw/zinc/89/08/49/1064890849.db2.gz OZFBVVMOBAUREU-UHFFFAOYSA-N 0 0 454.502 4.928 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C1 ZINC001360057426 1064890920 /nfs/dbraw/zinc/89/09/20/1064890920.db2.gz LDOTWPOKBNTOMC-AEFFLSMTSA-N 0 0 453.414 4.930 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CSCCS2)C1 ZINC001360057493 1064890954 /nfs/dbraw/zinc/89/09/54/1064890954.db2.gz LTGATXJCAIUMJA-MOPGFXCFSA-N 0 0 453.077 4.698 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCCCC2=O)C1 ZINC001360057760 1064891721 /nfs/dbraw/zinc/89/17/21/1064891721.db2.gz NMRMWVMMAAIWCZ-JOCHJYFZSA-N 0 0 474.049 4.643 20 0 JJADRN COc1cc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc(Cl)c1OCC(N)=O ZINC001435630619 1064891784 /nfs/dbraw/zinc/89/17/84/1064891784.db2.gz FFLSMESOMBKHKY-SFHVURJKSA-N 0 0 459.848 4.786 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(CC2CCCCC2)c2ccccn2)cc1 ZINC001435630942 1064891843 /nfs/dbraw/zinc/89/18/43/1064891843.db2.gz DYNYSOFZIMYSTR-UHFFFAOYSA-N 0 0 451.596 4.685 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCS2)C1 ZINC001360057763 1064892357 /nfs/dbraw/zinc/89/23/57/1064892357.db2.gz NMZLKKQISMRTCP-QZTJIDSGSA-N 0 0 482.492 4.583 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2ccsc2)C1 ZINC001360058026 1064892975 /nfs/dbraw/zinc/89/29/75/1064892975.db2.gz PEWZJQODTOZCBR-JPYJTQIMSA-N 0 0 479.021 4.958 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1F ZINC001360058493 1064893725 /nfs/dbraw/zinc/89/37/25/1064893725.db2.gz ZXANNBNTDRLTKR-HXUWFJFHSA-N 0 0 456.514 4.943 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001360058504 1064894511 /nfs/dbraw/zinc/89/45/11/1064894511.db2.gz SCIXMWFQMRXFPA-HCLVMJGWSA-N 0 0 477.447 4.510 20 0 JJADRN C[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 ZINC001435633816 1064894957 /nfs/dbraw/zinc/89/49/57/1064894957.db2.gz WKLVJCOBSXDBOZ-AWEZNQCLSA-N 0 0 454.785 4.533 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2)C1 ZINC001360058707 1064895342 /nfs/dbraw/zinc/89/53/42/1064895342.db2.gz USHNLAYPMQHLOF-WIYYLYMNSA-N 0 0 455.990 4.712 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001435634398 1064896657 /nfs/dbraw/zinc/89/66/57/1064896657.db2.gz ILTKKSRBXMXWOY-UHFFFAOYSA-N 0 0 451.498 4.832 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC001435635086 1064896759 /nfs/dbraw/zinc/89/67/59/1064896759.db2.gz QLIGYYLLRLRPCE-CYBMUJFWSA-N 0 0 454.386 4.556 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)c2ccco2)C1 ZINC001360058856 1064896743 /nfs/dbraw/zinc/89/67/43/1064896743.db2.gz XIQPYCKKFXWBLU-BTYIYWSLSA-N 0 0 495.443 4.521 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 ZINC001435635702 1064897393 /nfs/dbraw/zinc/89/73/93/1064897393.db2.gz AUOLLESACSNSHN-JOCHJYFZSA-N 0 0 450.489 4.923 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)c(C)cc3Cl)CC2)cc1C ZINC001435636798 1064898068 /nfs/dbraw/zinc/89/80/68/1064898068.db2.gz UUPBPAPGHCGMMU-UHFFFAOYSA-N 0 0 455.407 4.958 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC001360060225 1064898799 /nfs/dbraw/zinc/89/87/99/1064898799.db2.gz KGXIHZRCCIRTJJ-AWEZNQCLSA-N 0 0 458.381 4.946 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001360060299 1064898866 /nfs/dbraw/zinc/89/88/66/1064898866.db2.gz NAFBTKVCAWVTBS-FQEVSTJZSA-N 0 0 496.656 4.935 20 0 JJADRN CC(C)c1cc(NC(=O)Cc2csc3ccc(Br)cc23)n(-c2ncccn2)n1 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CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360086464 1064950446 /nfs/dbraw/zinc/95/04/46/1064950446.db2.gz ZFAWPBNYLGZGEK-PZJWPPBQSA-N 0 0 495.734 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1c(Cl)cccc1OC ZINC001545892517 1064950784 /nfs/dbraw/zinc/95/07/84/1064950784.db2.gz VRWPMIVHGFKFOZ-ZWKOTPCHSA-N 0 0 474.049 4.923 20 0 JJADRN COc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cnc1Br ZINC001435710098 1064951015 /nfs/dbraw/zinc/95/10/15/1064951015.db2.gz RAURASJKKXSLJK-UHFFFAOYSA-N 0 0 450.185 4.823 20 0 JJADRN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001435715510 1064952475 /nfs/dbraw/zinc/95/24/75/1064952475.db2.gz HZQKJXJSEIHMLD-UHFFFAOYSA-N 0 0 454.811 4.742 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H]1c1cccc(C)c1 ZINC001360087589 1064952780 /nfs/dbraw/zinc/95/27/80/1064952780.db2.gz NILQPTVIMXAOLN-ZCYQVOJMSA-N 0 0 452.620 4.955 20 0 JJADRN CC(C)CSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360087747 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PLUDEOUFGXXIED-UHFFFAOYSA-N 0 0 451.379 4.993 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)OCc1ccn(-c2c(F)cccc2F)n1 ZINC001435753473 1064977580 /nfs/dbraw/zinc/97/75/80/1064977580.db2.gz VQRYJTCPPKTMFE-LBPRGKRZSA-N 0 0 453.258 4.974 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)OCc1ccn(-c2c(F)cccc2F)n1 ZINC001435753472 1064977594 /nfs/dbraw/zinc/97/75/94/1064977594.db2.gz VQRYJTCPPKTMFE-GFCCVEGCSA-N 0 0 453.258 4.974 20 0 JJADRN COCc1nc(C)c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)s1 ZINC001360099425 1064978577 /nfs/dbraw/zinc/97/85/77/1064978577.db2.gz GHXUYNDFUUCTQO-UHFFFAOYSA-N 0 0 451.335 4.804 20 0 JJADRN Cn1c2ccc(NC(=O)c3ncc(Br)cc3Br)cc2nc1C1CC1 ZINC001435755624 1064978953 /nfs/dbraw/zinc/97/89/53/1064978953.db2.gz HYYQVRIDYSIUER-UHFFFAOYSA-N 0 0 450.134 4.623 20 0 JJADRN CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001435757616 1064979265 /nfs/dbraw/zinc/97/92/65/1064979265.db2.gz KZJNRSYZZZBYDG-QGZVFWFLSA-N 0 0 457.773 4.986 20 0 JJADRN 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ZINC001360127540 1065021610 /nfs/dbraw/zinc/02/16/10/1065021610.db2.gz VTIZIRFGHSYVKX-ZDUSSCGKSA-N 0 0 457.340 4.781 20 0 JJADRN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001435848778 1065021930 /nfs/dbraw/zinc/02/19/30/1065021930.db2.gz ANJJIRZCZAEQBD-NANBGGJNSA-N 0 0 451.432 4.762 20 0 JJADRN CC(=O)N[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C)c1cccc(Br)c1 ZINC001435849168 1065022138 /nfs/dbraw/zinc/02/21/38/1065022138.db2.gz DTWRVSVLHHODPX-RBUKOAKNSA-N 0 0 455.755 4.932 20 0 JJADRN CC(C)[C@@H](NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)c1ccc(Cl)cc1F ZINC001435850559 1065022553 /nfs/dbraw/zinc/02/25/53/1065022553.db2.gz WQIPZZWIFOTJBX-HXUWFJFHSA-N 0 0 456.892 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC001435849988 1065022591 /nfs/dbraw/zinc/02/25/91/1065022591.db2.gz KPZCMPVTDSZMFH-ZIAGYGMSSA-N 0 0 452.420 4.653 20 0 JJADRN O=C(Cc1cc(Cl)cc2c1OCC2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001435851401 1065023546 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457.933 4.812 20 0 JJADRN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)C[C@@H](C)c3ccccc3F)c2C)c1 ZINC001435853737 1065025405 /nfs/dbraw/zinc/02/54/05/1065025405.db2.gz DGFWCUHAAQUCJR-MZNJEOGPSA-N 0 0 451.542 4.731 20 0 JJADRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2Br)C1 ZINC001360130579 1065026155 /nfs/dbraw/zinc/02/61/55/1065026155.db2.gz CJNXGGDLTHHLOC-WCQYABFASA-N 0 0 450.158 4.998 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)c2csc(-c3ccc(Br)s3)n2)c(F)c1 ZINC001435855615 1065026685 /nfs/dbraw/zinc/02/66/85/1065026685.db2.gz MUKXBKNRVHEPNF-UHFFFAOYSA-N 0 0 456.314 4.708 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC001435856595 1065027710 /nfs/dbraw/zinc/02/77/10/1065027710.db2.gz ZWRASSFGBITEIM-UHFFFAOYSA-N 0 0 453.970 4.845 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2cc(C(C)(C)C)nn2C)CN(C)CC3)cc1 ZINC001435856838 1065027840 /nfs/dbraw/zinc/02/78/40/1065027840.db2.gz VUMDNHUVBQFBQQ-UHFFFAOYSA-N 0 0 450.608 4.559 20 0 JJADRN O=C(c1ccccc1OCCOc1ccccc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435858924 1065028845 /nfs/dbraw/zinc/02/88/45/1065028845.db2.gz JSFOOUOCGIMWMF-SFHVURJKSA-N 0 0 459.468 4.837 20 0 JJADRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001435859118 1065029142 /nfs/dbraw/zinc/02/91/42/1065029142.db2.gz LQMPSCXBZUJGKS-QWHCGFSZSA-N 0 0 456.306 4.927 20 0 JJADRN O=C(c1ccc(Br)c(Cl)c1F)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001435859047 1065029303 /nfs/dbraw/zinc/02/93/03/1065029303.db2.gz LJYXYIUTLUWCLX-SECBINFHSA-N 0 0 454.649 4.934 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1 ZINC001360133966 1065029589 /nfs/dbraw/zinc/02/95/89/1065029589.db2.gz IIPJSPYZTRSHGL-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN COC(=O)COc1ccc(N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC001435861486 1065030077 /nfs/dbraw/zinc/03/00/77/1065030077.db2.gz CKUUDVNOTWQCGS-UHFFFAOYSA-N 0 0 450.438 4.657 20 0 JJADRN O=C(c1oc2ccccc2c1Br)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001435861480 1065030109 /nfs/dbraw/zinc/03/01/09/1065030109.db2.gz PLOLOYGXIFYEAA-UHFFFAOYSA-N 0 0 451.723 4.946 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001435863170 1065031028 /nfs/dbraw/zinc/03/10/28/1065031028.db2.gz KVZZIBJIXLTYMV-MRXNPFEDSA-N 0 0 453.404 4.705 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864742 1065031509 /nfs/dbraw/zinc/03/15/09/1065031509.db2.gz PJYYKYWPRNOGOT-MRXNPFEDSA-N 0 0 453.404 4.793 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C1CC1 ZINC001360135376 1065031598 /nfs/dbraw/zinc/03/15/98/1065031598.db2.gz YPNSWSRTEREKDH-RUZDIDTESA-N 0 0 454.636 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC001360136742 1065032577 /nfs/dbraw/zinc/03/25/77/1065032577.db2.gz MEBPKIKJUXMVMO-UHFFFAOYSA-N 0 0 453.461 4.737 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C[C@H](C)c1ccccc1F)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867499 1065034927 /nfs/dbraw/zinc/03/49/27/1065034927.db2.gz HNDFBZRKJNKZBU-SSOJOUAXSA-N 0 0 451.542 4.602 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2c(Br)cnn2C)CCC3)c(C)c1 ZINC001435868971 1065035267 /nfs/dbraw/zinc/03/52/67/1065035267.db2.gz RAHBTVFZAMUFRM-UHFFFAOYSA-N 0 0 458.381 4.833 20 0 JJADRN Cc1ccnn1-c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001435869251 1065035311 /nfs/dbraw/zinc/03/53/11/1065035311.db2.gz IRAWWTIAGNFFOA-QGZVFWFLSA-N 0 0 457.361 4.978 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 ZINC001435869154 1065035324 /nfs/dbraw/zinc/03/53/24/1065035324.db2.gz HTHMEECICXVDKH-NDEPHWFRSA-N 0 0 459.590 4.832 20 0 JJADRN COc1cc(C(=O)N2CCc3cc(Br)cc(F)c32)cc(OC)c1Br ZINC001435869911 1065035636 /nfs/dbraw/zinc/03/56/36/1065035636.db2.gz ALWWNBAKKGPVSE-UHFFFAOYSA-N 0 0 459.109 4.571 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1sc2cccc(F)c2c1COC ZINC001435870510 1065036233 /nfs/dbraw/zinc/03/62/33/1065036233.db2.gz MJZHOWBHVJTWFJ-VWLOTQADSA-N 0 0 455.551 4.967 20 0 JJADRN COCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2cccc(OC)c2)CCC3)cc1 ZINC001435870815 1065036341 /nfs/dbraw/zinc/03/63/41/1065036341.db2.gz UDVDDRJEMWIVRU-UHFFFAOYSA-N 0 0 451.544 4.754 20 0 JJADRN CO[C@H]1Cc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cc2C1 ZINC001435871534 1065036743 /nfs/dbraw/zinc/03/67/43/1065036743.db2.gz OHRHBIJGZNDYBB-NRFANRHFSA-N 0 0 450.535 4.922 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001435873211 1065037118 /nfs/dbraw/zinc/03/71/18/1065037118.db2.gz YKCJQAOFXHGTFH-SANMLTNESA-N 0 0 452.551 4.814 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001435872536 1065037322 /nfs/dbraw/zinc/03/73/22/1065037322.db2.gz SXHDAAOFOXHMGC-DEOSSOPVSA-N 0 0 458.480 4.978 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1sc(C)cc1Br ZINC001435872564 1065037337 /nfs/dbraw/zinc/03/73/37/1065037337.db2.gz TXTMXIZKXAFLAQ-NRFANRHFSA-N 0 0 450.398 4.529 20 0 JJADRN Cn1c(C(=O)OCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc2cc(C(F)(F)F)ccc21 ZINC001435874739 1065038468 /nfs/dbraw/zinc/03/84/68/1065038468.db2.gz ZHTNMIIYRJIBKI-UHFFFAOYSA-N 0 0 452.795 4.927 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC001435875172 1065038481 /nfs/dbraw/zinc/03/84/81/1065038481.db2.gz MAHWUVAVXNMBHY-UHFFFAOYSA-N 0 0 452.153 4.941 20 0 JJADRN O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001435876252 1065038892 /nfs/dbraw/zinc/03/88/92/1065038892.db2.gz SHSFGENYBVRGAJ-UHFFFAOYSA-N 0 0 450.913 4.813 20 0 JJADRN O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc(Br)cc2c1OCCO2 ZINC001435875821 1065038911 /nfs/dbraw/zinc/03/89/11/1065038911.db2.gz LOOXFBCRQICJDB-UHFFFAOYSA-N 0 0 452.295 4.740 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875975 1065039059 /nfs/dbraw/zinc/03/90/59/1065039059.db2.gz PQNPUZGNRCFEFH-OAQYLSRUSA-N 0 0 455.624 4.689 20 0 JJADRN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)c(Br)c(Cl)c1 ZINC001435876176 1065039180 /nfs/dbraw/zinc/03/91/80/1065039180.db2.gz QRRRQUPQBYBXLE-OAHLLOKOSA-N 0 0 457.796 4.589 20 0 JJADRN CCOc1ccc(OCCCC(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001360141336 1065039529 /nfs/dbraw/zinc/03/95/29/1065039529.db2.gz ISHWQVFMLAXPQZ-OAQYLSRUSA-N 0 0 454.350 4.924 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1OCCC(C)C ZINC001435878996 1065039907 /nfs/dbraw/zinc/03/99/07/1065039907.db2.gz NBZYLJHWNLCLMV-OAQYLSRUSA-N 0 0 458.986 4.695 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC(C)C)c(C(C)=O)c2)cc(Br)c1F ZINC001435879893 1065040431 /nfs/dbraw/zinc/04/04/31/1065040431.db2.gz GMYRBISSJFNZHX-UHFFFAOYSA-N 0 0 452.276 4.617 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001435880273 1065040843 /nfs/dbraw/zinc/04/08/43/1065040843.db2.gz WKSKNPSHELZOSR-SANMLTNESA-N 0 0 458.558 4.984 20 0 JJADRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cn3)c12 ZINC001435881141 1065041387 /nfs/dbraw/zinc/04/13/87/1065041387.db2.gz GKGKYMOIIDLYIH-UHFFFAOYSA-N 0 0 457.534 4.948 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)c3cn(-c4cccc(Cl)c4F)nn3)cc2)c1 ZINC001435880630 1065041491 /nfs/dbraw/zinc/04/14/91/1065041491.db2.gz ZSFGMARSGGNWEZ-UHFFFAOYSA-N 0 0 450.901 4.877 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1ccc2c(c1)OCO2)C1CC1 ZINC001435881259 1065041875 /nfs/dbraw/zinc/04/18/75/1065041875.db2.gz HUZOFGNYUSSQOQ-NRFANRHFSA-N 0 0 450.318 4.560 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)CCc1nc(C(C)C)no1)C1CC1 ZINC001435882419 1065042904 /nfs/dbraw/zinc/04/29/04/1065042904.db2.gz PUEKFAUIDSIFSA-LJQANCHMSA-N 0 0 454.354 4.728 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCc1ccc(OCC2CC2)cc1 ZINC001435882813 1065042941 /nfs/dbraw/zinc/04/29/41/1065042941.db2.gz CUTHKCUMQUSISQ-IBGZPJMESA-N 0 0 457.592 4.704 20 0 JJADRN Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)c3ccnc(OCC(F)(F)F)c3)c12 ZINC001435883909 1065043272 /nfs/dbraw/zinc/04/32/72/1065043272.db2.gz YZAFTNVTXLIELW-UHFFFAOYSA-N 0 0 455.440 4.934 20 0 JJADRN O=C(OCc1ccc(I)c(Cl)c1)c1cnc(-c2ccccc2)nc1 ZINC001435883581 1065043317 /nfs/dbraw/zinc/04/33/17/1065043317.db2.gz HXHDGPURWGWDRB-UHFFFAOYSA-N 0 0 450.663 4.759 20 0 JJADRN Cc1noc(-c2ccccc2C(=O)OCc2ccc(I)c(Cl)c2)n1 ZINC001435883373 1065043366 /nfs/dbraw/zinc/04/33/66/1065043366.db2.gz FEOWQLZJNIWDLL-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN Cn1cc(C(=O)OCc2ccc(I)c(Cl)c2)c(-c2cccs2)n1 ZINC001435883493 1065043510 /nfs/dbraw/zinc/04/35/10/1065043510.db2.gz GKXHSUHBBOHFMW-UHFFFAOYSA-N 0 0 458.708 4.764 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C(=O)OC)cc1)C1CC1 ZINC001435885018 1065044026 /nfs/dbraw/zinc/04/40/26/1065044026.db2.gz YNRWJONLFOZKAQ-IBGZPJMESA-N 0 0 450.318 4.689 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001435886129 1065044327 /nfs/dbraw/zinc/04/43/27/1065044327.db2.gz WPZHJKKFNHBTOJ-ROUUACIJSA-N 0 0 455.368 4.725 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3nccn3-c3ccccc3)cc2Br)no1 ZINC001435885932 1065044507 /nfs/dbraw/zinc/04/45/07/1065044507.db2.gz UMYBEEDJOOOMNY-UHFFFAOYSA-N 0 0 453.296 4.763 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)s3)CC2)s1 ZINC001435887745 1065044795 /nfs/dbraw/zinc/04/47/95/1065044795.db2.gz LNRMPXAKIXDWTN-UHFFFAOYSA-N 0 0 451.415 4.540 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435888699 1065045535 /nfs/dbraw/zinc/04/55/35/1065045535.db2.gz HKQUZTWLOFWRCE-IAGOWNOFSA-N 0 0 458.430 4.687 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H](C)Oc1ccccc1C ZINC001545893948 1065045890 /nfs/dbraw/zinc/04/58/90/1065045890.db2.gz LIZZHPGSWJBCAN-ROUUACIJSA-N 0 0 481.563 4.751 20 0 JJADRN C[C@@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1ccc(F)c(Br)c1 ZINC001360145012 1065046633 /nfs/dbraw/zinc/04/66/33/1065046633.db2.gz HDVQJZLNCQKUFR-SNVBAGLBSA-N 0 0 458.353 4.560 20 0 JJADRN CC(C)[C@](C)(NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(Br)cc1 ZINC001435892357 1065048412 /nfs/dbraw/zinc/04/84/12/1065048412.db2.gz UXZCXTWYYLEILJ-CTNGQTDRSA-N 0 0 451.311 4.908 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1sc(Cl)nc1C(F)(F)F ZINC001435893187 1065049165 /nfs/dbraw/zinc/04/91/65/1065049165.db2.gz QAKATWISDOFPMS-UHFFFAOYSA-N 0 0 451.566 4.778 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)Oc3cc(F)cc(I)c3)o2)cc1 ZINC001435893537 1065049495 /nfs/dbraw/zinc/04/94/95/1065049495.db2.gz RNARKZSQHZOBOZ-UHFFFAOYSA-N 0 0 451.235 4.932 20 0 JJADRN CC(=O)[C@@H]1C[C@H](C(=O)OCc2ccc(I)c(C(F)(F)F)c2)C1(C)C ZINC001435894857 1065049917 /nfs/dbraw/zinc/04/99/17/1065049917.db2.gz KDNBLVBPGNNTQI-WCQYABFASA-N 0 0 454.226 4.605 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435894837 1065049937 /nfs/dbraw/zinc/04/99/37/1065049937.db2.gz XWTXIPIPBZTREP-FDTYEAIGSA-N 0 0 452.998 4.877 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001360147598 1065050114 /nfs/dbraw/zinc/05/01/14/1065050114.db2.gz BQWOPSCJVSNNFV-UHFFFAOYSA-N 0 0 450.771 4.988 20 0 JJADRN CO[C@@H]1CCC[C@H](CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)C1 ZINC001435895966 1065050504 /nfs/dbraw/zinc/05/05/04/1065050504.db2.gz UZVZYIKYFWUGGG-WCQYABFASA-N 0 0 456.242 4.949 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)nn1-c1ccccc1Cl ZINC001360148119 1065050701 /nfs/dbraw/zinc/05/07/01/1065050701.db2.gz BDQFLYODMMFTAN-KRWDZBQOSA-N 0 0 453.974 4.690 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)O[C@@H](C)c3cccc(OCc4ccccc4)c3)CC2=O)cc1 ZINC001435897832 1065050867 /nfs/dbraw/zinc/05/08/67/1065050867.db2.gz JHTIDHHIVLTNDL-GBXCKJPGSA-N 0 0 459.542 4.927 20 0 JJADRN O=C(NCc1ccccc1Oc1cccc(F)c1)c1csc(I)n1 ZINC001360148648 1065051324 /nfs/dbraw/zinc/05/13/24/1065051324.db2.gz KYOUPMQFANGFCT-UHFFFAOYSA-N 0 0 454.264 4.609 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC001360148844 1065051622 /nfs/dbraw/zinc/05/16/22/1065051622.db2.gz PZXOUSGTKXLVNO-UHFFFAOYSA-N 0 0 452.576 4.746 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001360148706 1065051714 /nfs/dbraw/zinc/05/17/14/1065051714.db2.gz ZYSUZKIGAPUMJU-SUMDDJOVSA-N 0 0 454.489 4.552 20 0 JJADRN C[C@@H](c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1)N1CCOCC1 ZINC001360149001 1065051896 /nfs/dbraw/zinc/05/18/96/1065051896.db2.gz WJOSKJANEFRVSC-KRWDZBQOSA-N 0 0 454.958 4.745 20 0 JJADRN O=C(NC1(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1)OCc1ccccc1 ZINC001435898696 1065051775 /nfs/dbraw/zinc/05/17/75/1065051775.db2.gz ALQHCODCPRENOX-UHFFFAOYSA-N 0 0 457.246 4.865 20 0 JJADRN O=C(NCCCNC(=O)c1ccccc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001435899377 1065052229 /nfs/dbraw/zinc/05/22/29/1065052229.db2.gz LQAPFCJGLBCWOC-PTGBLXJZSA-N 0 0 450.485 4.765 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCCNC(=O)c3ccccc3)cc12 ZINC001435899495 1065052333 /nfs/dbraw/zinc/05/23/33/1065052333.db2.gz LVGXMWGJLRNPGS-UHFFFAOYSA-N 0 0 452.967 4.599 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccnn1C ZINC001435899602 1065052420 /nfs/dbraw/zinc/05/24/20/1065052420.db2.gz MUILBZSPWCVTRE-IRLDBZIGSA-N 0 0 456.384 4.859 20 0 JJADRN Cc1c(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435900436 1065052709 /nfs/dbraw/zinc/05/27/09/1065052709.db2.gz CQNLCBZVIWCRBZ-KZULUSFZSA-N 0 0 450.486 4.604 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)[C@H](OC)c2ccccc2Br)c1 ZINC001435900170 1065052831 /nfs/dbraw/zinc/05/28/31/1065052831.db2.gz FISPISDMSCWGLU-QGZVFWFLSA-N 0 0 457.162 4.566 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1 ZINC001435900308 1065052879 /nfs/dbraw/zinc/05/28/79/1065052879.db2.gz GXNQBGCQGQEVCR-UHFFFAOYSA-N 0 0 454.368 4.858 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(F)c(Br)cc1F ZINC001435901472 1065053329 /nfs/dbraw/zinc/05/33/29/1065053329.db2.gz GEKKCTLOCZFQEQ-HXUWFJFHSA-N 0 0 459.290 4.707 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)Cc1ccc(Cl)cc1Cl ZINC001360150372 1065053924 /nfs/dbraw/zinc/05/39/24/1065053924.db2.gz AERQZFCYDHUITA-APWZRJJASA-N 0 0 454.419 4.886 20 0 JJADRN CCc1c(C(=O)N(CC)[C@H](C)Cc2ccc(OC)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001360150437 1065053978 /nfs/dbraw/zinc/05/39/78/1065053978.db2.gz BTXGADIDDNVXPQ-LJQANCHMSA-N 0 0 450.583 4.719 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCOc3ccc(F)cc32)[C@H]1c1ccccc1OC ZINC001435902753 1065053995 /nfs/dbraw/zinc/05/39/95/1065053995.db2.gz ONFBSONSZQAONG-PIBDYAPNSA-N 0 0 454.542 4.554 20 0 JJADRN COc1cccc(CCC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1F ZINC001435902349 1065054105 /nfs/dbraw/zinc/05/41/05/1065054105.db2.gz PRGLRVDJVLVKNG-UHFFFAOYSA-N 0 0 450.348 4.737 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCOc3ccc(F)cc32)[C@H]1c1ccccc1OC ZINC001435902754 1065054166 /nfs/dbraw/zinc/05/41/66/1065054166.db2.gz ONFBSONSZQAONG-QYXIYQDXSA-N 0 0 454.542 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC001435902929 1065054556 /nfs/dbraw/zinc/05/45/56/1065054556.db2.gz SQRNLMHUEOPYOM-RBBKRZOGSA-N 0 0 455.599 4.602 20 0 JJADRN Cc1cc(OCC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)ccc1Cl ZINC001435903027 1065054651 /nfs/dbraw/zinc/05/46/51/1065054651.db2.gz XJIMWWGNGCCLIT-UHFFFAOYSA-N 0 0 452.776 4.998 20 0 JJADRN C[C@@H](CCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)CC(C)(C)C ZINC001435903850 1065055055 /nfs/dbraw/zinc/05/50/55/1065055055.db2.gz BXDACQSPLUHJAD-GJZGRUSLSA-N 0 0 457.566 4.590 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC[C@@H]1c1ccc(C)o1 ZINC001435905263 1065055386 /nfs/dbraw/zinc/05/53/86/1065055386.db2.gz VBFXFNRVDCRLFC-WOJBJXKFSA-N 0 0 457.958 4.754 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435906760 1065056224 /nfs/dbraw/zinc/05/62/24/1065056224.db2.gz MUDJLFMVNIFACF-ZDUSSCGKSA-N 0 0 454.851 4.699 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 ZINC001360153681 1065056790 /nfs/dbraw/zinc/05/67/90/1065056790.db2.gz CUSZUNILLMKKPY-HXUWFJFHSA-N 0 0 457.603 4.786 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)c1 ZINC001360154298 1065056802 /nfs/dbraw/zinc/05/68/02/1065056802.db2.gz UZEMWIRRVFOHKW-NRFANRHFSA-N 0 0 450.604 4.880 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)cc1I ZINC001435908000 1065057091 /nfs/dbraw/zinc/05/70/91/1065057091.db2.gz QZLDJNGRHQJZSQ-APPDUMDISA-N 0 0 459.686 4.686 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)cc1I ZINC001435908001 1065057208 /nfs/dbraw/zinc/05/72/08/1065057208.db2.gz QZLDJNGRHQJZSQ-DIFFPNOSSA-N 0 0 459.686 4.686 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2Br)c(-n2cc(Cl)cn2)n1 ZINC001435908724 1065057707 /nfs/dbraw/zinc/05/77/07/1065057707.db2.gz UYSYTWSELLOJTN-UHFFFAOYSA-N 0 0 454.155 4.504 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(F)cc(F)c3Br)c(=O)oc2c1 ZINC001435909582 1065057974 /nfs/dbraw/zinc/05/79/74/1065057974.db2.gz RPBGCLOGIVNMLJ-UHFFFAOYSA-N 0 0 451.267 4.932 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001435909229 1065058050 /nfs/dbraw/zinc/05/80/50/1065058050.db2.gz IMQOKMHRWHTGEE-IAGOWNOFSA-N 0 0 459.384 4.613 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC001435909278 1065058110 /nfs/dbraw/zinc/05/81/10/1065058110.db2.gz JDTYHBMQTSWEKI-QMHKHESXSA-N 0 0 459.384 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001545894106 1065058169 /nfs/dbraw/zinc/05/81/69/1065058169.db2.gz OUAYAHXSKONZGE-JZXOWHBKSA-N 0 0 475.584 4.611 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC(F)F)n2CCCC2CCOCC2)c2ccccc2c1=O ZINC001360156656 1065058571 /nfs/dbraw/zinc/05/85/71/1065058571.db2.gz IPXDVLMZPINOLQ-UHFFFAOYSA-N 0 0 488.583 4.534 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)c1ccccc1 ZINC001435909921 1065058565 /nfs/dbraw/zinc/05/85/65/1065058565.db2.gz CDSOGAVJXKHYSP-VWLOTQADSA-N 0 0 452.576 4.848 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2cncc(Br)c2n1 ZINC001435911266 1065059397 /nfs/dbraw/zinc/05/93/97/1065059397.db2.gz LAHNXKUANFOCFP-UHFFFAOYSA-N 0 0 450.258 4.873 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC001435912186 1065059559 /nfs/dbraw/zinc/05/95/59/1065059559.db2.gz YIVMVTJHXJJZFJ-LBPRGKRZSA-N 0 0 456.789 4.904 20 0 JJADRN CCc1nc(C(=O)NCCc2cc(Cl)ccc2OC)nn1-c1c(Cl)cccc1Cl ZINC001360160929 1065059999 /nfs/dbraw/zinc/05/99/99/1065059999.db2.gz WTHBFOTVXXXSPD-UHFFFAOYSA-N 0 0 453.757 4.771 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)on2)cc1 ZINC001360161413 1065060257 /nfs/dbraw/zinc/06/02/57/1065060257.db2.gz JBSPIWKTEMNFRH-QFIPXVFZSA-N 0 0 453.970 4.885 20 0 JJADRN COC(=O)c1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)c(F)c1 ZINC001435913820 1065060300 /nfs/dbraw/zinc/06/03/00/1065060300.db2.gz SORQRTMYLBSDOW-UHFFFAOYSA-N 0 0 452.873 4.869 20 0 JJADRN C[C@H](OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc(Cl)cn1 ZINC001435913549 1065060417 /nfs/dbraw/zinc/06/04/17/1065060417.db2.gz QCNRHKLLPFPKHA-HNNXBMFYSA-N 0 0 451.939 4.774 20 0 JJADRN COc1ccc2oc(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)c2c1 ZINC001360161411 1065060493 /nfs/dbraw/zinc/06/04/93/1065060493.db2.gz JBLGFLDPSNNYBB-OAQYLSRUSA-N 0 0 456.970 4.985 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1cc(C)nc2ccc(Br)cc21)c1ccccc1 ZINC001435914051 1065060883 /nfs/dbraw/zinc/06/08/83/1065060883.db2.gz UYNKFOIPAULGOJ-HSZRJFAPSA-N 0 0 455.352 4.557 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001360162584 1065061188 /nfs/dbraw/zinc/06/11/88/1065061188.db2.gz OQXMCBITELIKJR-IAGOWNOFSA-N 0 0 479.610 4.529 20 0 JJADRN CCc1cccc2c(CC(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOC(C)(C)C3)c[nH]c21 ZINC001360162398 1065061216 /nfs/dbraw/zinc/06/12/16/1065061216.db2.gz YALZHJIHMXNQRP-QHCPKHFHSA-N 0 0 454.014 4.895 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360162493 1065061328 /nfs/dbraw/zinc/06/13/28/1065061328.db2.gz NQDIQMQCPCFWFX-SJORKVTESA-N 0 0 451.537 4.968 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccc(F)cc1F ZINC001435915250 1065061451 /nfs/dbraw/zinc/06/14/51/1065061451.db2.gz FOBIOCXVKLCDDH-AWEZNQCLSA-N 0 0 452.343 4.611 20 0 JJADRN CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cc2Br)CC1 ZINC001435916827 1065061784 /nfs/dbraw/zinc/06/17/84/1065061784.db2.gz ZPGMYCSVTOLXEZ-ZWKOTPCHSA-N 0 0 480.353 4.545 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360162592 1065061715 /nfs/dbraw/zinc/06/17/15/1065061715.db2.gz OUUWDAHVSWAYHK-WAOWUJCRSA-N 0 0 473.637 4.983 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2Br)CC1 ZINC001435916513 1065061953 /nfs/dbraw/zinc/06/19/53/1065061953.db2.gz SZIYAHDTSMVAJI-UHFFFAOYSA-N 0 0 457.397 4.577 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC001435916867 1065062004 /nfs/dbraw/zinc/06/20/04/1065062004.db2.gz BFTRBFMDWGRXPH-UHFFFAOYSA-N 0 0 455.502 4.960 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360164335 1065062051 /nfs/dbraw/zinc/06/20/51/1065062051.db2.gz RQCDVHSTYXSQEB-NZSAHSFTSA-N 0 0 481.563 4.873 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)CCc2ccc(O)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360164333 1065062243 /nfs/dbraw/zinc/06/22/43/1065062243.db2.gz RQCDVHSTYXSQEB-NEWSRXKRSA-N 0 0 481.563 4.873 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)c3cc(F)c(F)cc3I)cn2)c(C)c1 ZINC001435917767 1065062334 /nfs/dbraw/zinc/06/23/34/1065062334.db2.gz KHUYDMZZCUPAMT-UHFFFAOYSA-N 0 0 453.230 4.624 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(Br)cc1F ZINC001435918266 1065062740 /nfs/dbraw/zinc/06/27/40/1065062740.db2.gz UVYLWAJQEAEBAH-UHFFFAOYSA-N 0 0 451.336 4.854 20 0 JJADRN CCCN(CC(=O)OC)C(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001435918400 1065062792 /nfs/dbraw/zinc/06/27/92/1065062792.db2.gz HWZUNEDWOOVRJT-UHFFFAOYSA-N 0 0 457.368 4.942 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)ccc1Br ZINC001435918580 1065063001 /nfs/dbraw/zinc/06/30/01/1065063001.db2.gz AMURZKCJSJQFNB-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3c(F)cccc3-n3cccn3)[nH]c(=O)c2c1C ZINC001360168616 1065063215 /nfs/dbraw/zinc/06/32/15/1065063215.db2.gz AULGBTLVYSQUDF-ZDUSSCGKSA-N 0 0 457.556 4.599 20 0 JJADRN Cc1cccc(CNC(=O)[C@H](C)c2ccc(I)cc2)c1Br ZINC001435919543 1065063510 /nfs/dbraw/zinc/06/35/10/1065063510.db2.gz IARBACZNDAQARM-GFCCVEGCSA-N 0 0 458.137 4.782 20 0 JJADRN CCc1noc(C)c1C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435919955 1065063874 /nfs/dbraw/zinc/06/38/74/1065063874.db2.gz GCMFJYGNFVMEJV-IFMALSPDSA-N 0 0 455.599 4.924 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001360169447 1065063797 /nfs/dbraw/zinc/06/37/97/1065063797.db2.gz FTKBBXFBIOWWEF-SHTZXODSSA-N 0 0 490.377 4.666 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360169551 1065064196 /nfs/dbraw/zinc/06/41/96/1065064196.db2.gz JHUBSKWUYDKZEF-PXNSSMCTSA-N 0 0 480.028 4.687 20 0 JJADRN Cc1ccc(COC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1Br ZINC001435920863 1065064414 /nfs/dbraw/zinc/06/44/14/1065064414.db2.gz CFUSADPXLYZGKN-UHFFFAOYSA-N 0 0 459.384 4.765 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001435921085 1065064470 /nfs/dbraw/zinc/06/44/70/1065064470.db2.gz ABPLMVGKONRFHU-FUHWJXTLSA-N 0 0 454.958 4.522 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)cs2)cc1 ZINC001360170395 1065064698 /nfs/dbraw/zinc/06/46/98/1065064698.db2.gz INCYZPKYTLXBLD-UHFFFAOYSA-N 0 0 450.564 4.550 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@H]1CCC[C@@H]1C ZINC001360169914 1065064714 /nfs/dbraw/zinc/06/47/14/1065064714.db2.gz XBKBXSOCVHZWPQ-GOEBONIOSA-N 0 0 455.500 4.647 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360170509 1065065159 /nfs/dbraw/zinc/06/51/59/1065065159.db2.gz JKBZTJZKTOIQMN-HXUWFJFHSA-N 0 0 488.627 4.869 20 0 JJADRN COc1ccc(C(=O)O[C@H](c2ccccc2)C2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC001435923681 1065065668 /nfs/dbraw/zinc/06/56/68/1065065668.db2.gz JMEPKFRYNQZUQD-XMMPIXPASA-N 0 0 457.592 4.958 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)N(C(=O)OCc2ccccc2)C1 ZINC001360172287 1065065666 /nfs/dbraw/zinc/06/56/66/1065065666.db2.gz VAIVMUBLBBJTNC-VJBWXMMDSA-N 0 0 456.970 4.724 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001435926051 1065067219 /nfs/dbraw/zinc/06/72/19/1065067219.db2.gz UFZCBOIZSLYZLJ-XSSDXNQZSA-N 0 0 452.979 4.729 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC1 ZINC001360178233 1065067275 /nfs/dbraw/zinc/06/72/75/1065067275.db2.gz PXWMDJZVSLUPOD-SFHVURJKSA-N 0 0 452.551 4.615 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1C[C@H]1CC=CCC1 ZINC001360178547 1065067313 /nfs/dbraw/zinc/06/73/13/1065067313.db2.gz IVBITZQHRMXDJZ-IBGZPJMESA-N 0 0 480.588 4.636 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1C[C@@H]1CC=CCC1 ZINC001360178549 1065067355 /nfs/dbraw/zinc/06/73/55/1065067355.db2.gz IVBITZQHRMXDJZ-LJQANCHMSA-N 0 0 480.588 4.636 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360178954 1065067388 /nfs/dbraw/zinc/06/73/88/1065067388.db2.gz QJMGZBMKNDUOMW-UHFFFAOYSA-N 0 0 457.566 4.525 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC001435927323 1065067543 /nfs/dbraw/zinc/06/75/43/1065067543.db2.gz KILPYBBKLBBPSI-HNNXBMFYSA-N 0 0 455.274 4.620 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1OC ZINC001435927264 1065067588 /nfs/dbraw/zinc/06/75/88/1065067588.db2.gz DQXAVHDEPJIAPY-UHFFFAOYSA-N 0 0 450.720 4.948 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC001360179204 1065067756 /nfs/dbraw/zinc/06/77/56/1065067756.db2.gz ADXYHXAYAUTVPR-GOSISDBHSA-N 0 0 452.986 4.847 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(OCC(F)(F)F)cn1 ZINC001435929472 1065068191 /nfs/dbraw/zinc/06/81/91/1065068191.db2.gz BUURCMVANFOYOH-MRXNPFEDSA-N 0 0 457.290 4.926 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([S@@](C)=O)cc3)[C@@H]2c2cccs2)cc1 ZINC001360181013 1065068369 /nfs/dbraw/zinc/06/83/69/1065068369.db2.gz OMOVZCOLITUJPB-PDSVEZBFSA-N 0 0 452.601 4.917 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 ZINC001360180790 1065068436 /nfs/dbraw/zinc/06/84/36/1065068436.db2.gz YDJJVWXQVBGKPW-UHFFFAOYSA-N 0 0 482.437 4.543 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([S@](C)=O)cc3)[C@@H]2c2cccs2)cc1 ZINC001360181014 1065068451 /nfs/dbraw/zinc/06/84/51/1065068451.db2.gz OMOVZCOLITUJPB-SYOWLYDASA-N 0 0 452.601 4.917 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cnc(CCC(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 ZINC001435929974 1065068690 /nfs/dbraw/zinc/06/86/90/1065068690.db2.gz HOECWUOSMXPTGH-MRXNPFEDSA-N 0 0 455.285 4.763 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCc3cccnc32)c1 ZINC001435931439 1065069081 /nfs/dbraw/zinc/06/90/81/1065069081.db2.gz NMJNTGSAIFQFKA-HSZRJFAPSA-N 0 0 450.560 4.921 20 0 JJADRN O=C(COc1ccc(Br)cc1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC001435932110 1065069122 /nfs/dbraw/zinc/06/91/22/1065069122.db2.gz BQMMOTGMGJFGJY-UHFFFAOYSA-N 0 0 457.349 4.643 20 0 JJADRN CCOC(=O)c1cnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)n1C ZINC001435931397 1065069217 /nfs/dbraw/zinc/06/92/17/1065069217.db2.gz MTXHZDCQKPSAIB-UHFFFAOYSA-N 0 0 457.534 4.825 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c1 ZINC001360182282 1065069210 /nfs/dbraw/zinc/06/92/10/1065069210.db2.gz KSZMJMOAQMJFEO-UHFFFAOYSA-N 0 0 454.567 4.743 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1nc(C(C)(C)C)cs1 ZINC001360182239 1065069335 /nfs/dbraw/zinc/06/93/35/1065069335.db2.gz JBVMKOCPCWPVTL-GFCCVEGCSA-N 0 0 458.049 4.662 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC001435932522 1065069660 /nfs/dbraw/zinc/06/96/60/1065069660.db2.gz HINCCJIMTGBUJG-UHFFFAOYSA-N 0 0 452.433 4.573 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3cn4cc(Br)ncc4n3)cs2)cc1 ZINC001435932388 1065069720 /nfs/dbraw/zinc/06/97/20/1065069720.db2.gz CFNMXNVEIMKQDG-UHFFFAOYSA-N 0 0 458.341 4.656 20 0 JJADRN C[C@H](NC(=O)C1(c2ccc(I)cc2)CC1)c1nc(C(C)(C)C)cs1 ZINC001360182786 1065069771 /nfs/dbraw/zinc/06/97/71/1065069771.db2.gz ZVJQBHUUKPNDIR-LBPRGKRZSA-N 0 0 454.377 4.954 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360182981 1065070054 /nfs/dbraw/zinc/07/00/54/1065070054.db2.gz KEFSUTNDHWWTTN-UHFFFAOYSA-N 0 0 496.612 4.820 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cnc(Br)c(Cl)c1 ZINC001435934325 1065070615 /nfs/dbraw/zinc/07/06/15/1065070615.db2.gz YMBRTZQCNFKXFJ-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1sc2ccccc2c1Br ZINC001435934025 1065070642 /nfs/dbraw/zinc/07/06/42/1065070642.db2.gz MGVJBJBGJWAUNH-UHFFFAOYSA-N 0 0 452.131 4.721 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)Cc2cccs2)n1Cc1cccc(N(C)C)c1 ZINC001360183299 1065070661 /nfs/dbraw/zinc/07/06/61/1065070661.db2.gz SDTYVZGEKGXFKV-UHFFFAOYSA-N 0 0 494.690 4.860 20 0 JJADRN Cc1cc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c2c(n1)onc2C(C)C ZINC001435934107 1065070744 /nfs/dbraw/zinc/07/07/44/1065070744.db2.gz JFYRKKBZRSHCDA-QFIPXVFZSA-N 0 0 457.530 4.912 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c2c(n1)onc2C(C)C ZINC001435934106 1065070868 /nfs/dbraw/zinc/07/08/68/1065070868.db2.gz JFYRKKBZRSHCDA-JOCHJYFZSA-N 0 0 457.530 4.912 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001435934997 1065071297 /nfs/dbraw/zinc/07/12/97/1065071297.db2.gz QIKANZVDWABCHJ-HSZRJFAPSA-N 0 0 457.505 4.577 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001435935361 1065071351 /nfs/dbraw/zinc/07/13/51/1065071351.db2.gz UPJFLDOMBBPIJD-FTJBHMTQSA-N 0 0 459.542 4.501 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001435935941 1065071362 /nfs/dbraw/zinc/07/13/62/1065071362.db2.gz BGWORSOKRGYQCK-UHFFFAOYSA-N 0 0 454.162 4.736 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)c1 ZINC001360185252 1065071565 /nfs/dbraw/zinc/07/15/65/1065071565.db2.gz MSGSERQEDFDDHK-UHFFFAOYSA-N 0 0 451.498 4.744 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC001435936739 1065071613 /nfs/dbraw/zinc/07/16/13/1065071613.db2.gz MJHRNDCXWRQRMK-KRWDZBQOSA-N 0 0 454.596 4.640 20 0 JJADRN O=C(Nc1nnc(CC2CCCCC2)s1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001360184917 1065071739 /nfs/dbraw/zinc/07/17/39/1065071739.db2.gz GRSYJCWWYHSDPS-ZDUSSCGKSA-N 0 0 453.395 4.959 20 0 JJADRN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ncccc12 ZINC001435936505 1065071745 /nfs/dbraw/zinc/07/17/45/1065071745.db2.gz CZCCKNOAVKBLNI-UHFFFAOYSA-N 0 0 457.452 4.753 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCN([C@H](CC)c4ccc(F)cc4F)CC3)c12 ZINC001360187215 1065071995 /nfs/dbraw/zinc/07/19/95/1065071995.db2.gz BEWOQPVXHZGMGW-JOCHJYFZSA-N 0 0 456.537 4.925 20 0 JJADRN COc1ccc(OCCCC(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001435937280 1065072022 /nfs/dbraw/zinc/07/20/22/1065072022.db2.gz OHVAOJBXJZRVQJ-UHFFFAOYSA-N 0 0 457.162 4.696 20 0 JJADRN COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc(OC)c1OC(F)F ZINC001435937511 1065072057 /nfs/dbraw/zinc/07/20/57/1065072057.db2.gz HIPYRMFCVKLXTH-UHFFFAOYSA-N 0 0 459.833 4.869 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(C)cc2Br)CC1 ZINC001360188168 1065072503 /nfs/dbraw/zinc/07/25/03/1065072503.db2.gz NSQDTLOVNGMRKJ-OAQYLSRUSA-N 0 0 451.355 4.874 20 0 JJADRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001435937894 1065072551 /nfs/dbraw/zinc/07/25/51/1065072551.db2.gz NAIJTBGIYRIFHA-UHFFFAOYSA-N 0 0 451.932 4.576 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 ZINC001360188838 1065073284 /nfs/dbraw/zinc/07/32/84/1065073284.db2.gz XBPJCECNLNCLAD-CQSZACIVSA-N 0 0 455.368 4.725 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCCN(C)C(=O)c1ccncc1 ZINC001360189814 1065073536 /nfs/dbraw/zinc/07/35/36/1065073536.db2.gz GDJAQXACEKHQFS-HNNXBMFYSA-N 0 0 456.999 4.897 20 0 JJADRN COC(=O)[C@H](NC(=O)C/C=C\c1ccc(Br)cc1)c1ccc(OC)c(Cl)c1 ZINC001435939023 1065073609 /nfs/dbraw/zinc/07/36/09/1065073609.db2.gz AVEZQOUXNVGOJC-ZRHASKPBSA-N 0 0 452.732 4.545 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360189366 1065073568 /nfs/dbraw/zinc/07/35/68/1065073568.db2.gz TUOPLCJDXRAGET-QKNQBKEWSA-N 0 0 475.584 4.598 20 0 JJADRN CCc1c(C(=O)Nc2c(C(=O)OC)ccc3ccccc32)nnn1-c1ccc(OC(C)C)cc1 ZINC001435941264 1065074349 /nfs/dbraw/zinc/07/43/49/1065074349.db2.gz NMBUUIPPJSNFFA-UHFFFAOYSA-N 0 0 458.518 4.809 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1cc(F)cc(Br)c1 ZINC001435941476 1065074599 /nfs/dbraw/zinc/07/45/99/1065074599.db2.gz JPTRHEKKXCIPHR-BEFAXECRSA-N 0 0 457.347 4.677 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccc(OC)c(F)c1 ZINC001435941321 1065074617 /nfs/dbraw/zinc/07/46/17/1065074617.db2.gz MYLCHLVSHFHDKV-HVEPWOEZSA-N 0 0 459.823 4.854 20 0 JJADRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccccc1 ZINC001360191705 1065075055 /nfs/dbraw/zinc/07/50/55/1065075055.db2.gz IBKKAAGYJUWOGY-DEOSSOPVSA-N 0 0 457.530 4.820 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360191838 1065075722 /nfs/dbraw/zinc/07/57/22/1065075722.db2.gz ULPBZLTXHMDQHL-IFMALSPDSA-N 0 0 496.656 4.971 20 0 JJADRN COC(=O)N1CCC([C@@H](C)NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001435946910 1065076224 /nfs/dbraw/zinc/07/62/24/1065076224.db2.gz KYCGYOJQAQCJCG-FIOICXDGSA-N 0 0 458.505 4.812 20 0 JJADRN CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360198293 1065077231 /nfs/dbraw/zinc/07/72/31/1065077231.db2.gz TZNHSRLVUKOBMM-LJQANCHMSA-N 0 0 457.347 4.515 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NCC(=O)Nc2cccc3cccnc32)ccc1Br ZINC001360199007 1065077662 /nfs/dbraw/zinc/07/76/62/1065077662.db2.gz SBVMJSUOUIPQDM-UHFFFAOYSA-N 0 0 454.368 4.629 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3c[nH]c4ccccc43)CC2)n1CCSCC(F)(F)F ZINC001360201221 1065078708 /nfs/dbraw/zinc/07/87/08/1065078708.db2.gz OQDRYODWOIWIIX-UHFFFAOYSA-N 0 0 494.587 4.577 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1CCCc1ccccc1F ZINC001360200938 1065078741 /nfs/dbraw/zinc/07/87/41/1065078741.db2.gz KTUOHHGTOHLXEG-UHFFFAOYSA-N 0 0 455.603 4.634 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC001435954061 1065078779 /nfs/dbraw/zinc/07/87/79/1065078779.db2.gz PSAVIVIDCDMGPB-BBRMVZONSA-N 0 0 457.210 4.839 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)cn21 ZINC001435953975 1065078876 /nfs/dbraw/zinc/07/88/76/1065078876.db2.gz VLOKFFIWRHVRFN-UHFFFAOYSA-N 0 0 454.328 4.842 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001435953147 1065078921 /nfs/dbraw/zinc/07/89/21/1065078921.db2.gz DPHZHIVFAJVJGI-RTWAWAEBSA-N 0 0 457.412 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360203186 1065079045 /nfs/dbraw/zinc/07/90/45/1065079045.db2.gz BXUKDQOQOOTMJE-UHFFFAOYSA-N 0 0 495.590 4.949 20 0 JJADRN COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)ccc1OC(F)F ZINC001360202400 1065079162 /nfs/dbraw/zinc/07/91/62/1065079162.db2.gz WIYRGOGWZOCTGM-UHFFFAOYSA-N 0 0 454.514 4.692 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001435954281 1065079413 /nfs/dbraw/zinc/07/94/13/1065079413.db2.gz UQODXYJQSAGBCN-NHCUHLMSSA-N 0 0 457.412 4.586 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3cccc4c(Br)cccc34)sc21 ZINC001360205045 1065079561 /nfs/dbraw/zinc/07/95/61/1065079561.db2.gz FIDMNRPCCVYCDJ-UHFFFAOYSA-N 0 0 456.321 4.954 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccccc1OC1CCCC1 ZINC001360203542 1065079723 /nfs/dbraw/zinc/07/97/23/1065079723.db2.gz IORCCSOZUZOFOS-UHFFFAOYSA-N 0 0 493.574 4.955 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001360203881 1065079767 /nfs/dbraw/zinc/07/97/67/1065079767.db2.gz UFUZXBSCMPCDIQ-UHFFFAOYSA-N 0 0 493.452 4.532 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(COc4ccc(C)cc4C)o3)sc21 ZINC001360205425 1065080170 /nfs/dbraw/zinc/08/01/70/1065080170.db2.gz JXYRVZJVDTZLDL-UHFFFAOYSA-N 0 0 451.504 4.827 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360205523 1065080185 /nfs/dbraw/zinc/08/01/85/1065080185.db2.gz IOMQDXHOCQAVIO-QTGUNEKASA-N 0 0 456.608 4.790 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(Br)oc1C ZINC001435956161 1065080230 /nfs/dbraw/zinc/08/02/30/1065080230.db2.gz FJXPIMXNJNDURG-OAHLLOKOSA-N 0 0 459.178 4.881 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(Br)o2)c(I)cc1Cl ZINC001435956929 1065080724 /nfs/dbraw/zinc/08/07/24/1065080724.db2.gz PIWNXVONOUGPEY-UHFFFAOYSA-N 0 0 454.489 4.539 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001360208914 1065080896 /nfs/dbraw/zinc/08/08/96/1065080896.db2.gz CCFJTLLBLYSNLA-MJGOQNOKSA-N 0 0 461.484 4.690 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)cc1C(=O)NC(C)C ZINC001360208283 1065081056 /nfs/dbraw/zinc/08/10/56/1065081056.db2.gz YORDYSMONASFSR-UZKOGDIHSA-N 0 0 457.615 4.888 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccnc(-c2ccccc2)n1 ZINC001435957482 1065081123 /nfs/dbraw/zinc/08/11/23/1065081123.db2.gz NGIRZGJVZAQSBB-FQEVSTJZSA-N 0 0 454.368 4.674 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3cccnc3N3CCOCC3)cc2C)c1 ZINC001360211580 1065081728 /nfs/dbraw/zinc/08/17/28/1065081728.db2.gz CXZXIIREQQIUGN-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001492597106 1065081837 /nfs/dbraw/zinc/08/18/37/1065081837.db2.gz SCHQDYGEWYUHQD-UHFFFAOYSA-N 0 0 492.634 4.776 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)nn1-c1ccc(Cl)cc1Cl ZINC001435958674 1065082161 /nfs/dbraw/zinc/08/21/61/1065082161.db2.gz UAZYYWDLJFCVHW-NRFANRHFSA-N 0 0 458.324 4.880 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC001435958374 1065082175 /nfs/dbraw/zinc/08/21/75/1065082175.db2.gz SIUPNIKSZKXHJW-SUMWQHHRSA-N 0 0 476.220 4.612 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCc1cc2ccccc2s1 ZINC001360212309 1065082310 /nfs/dbraw/zinc/08/23/10/1065082310.db2.gz XERRYBNYMPGCKZ-UHFFFAOYSA-N 0 0 469.655 4.658 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435959010 1065082618 /nfs/dbraw/zinc/08/26/18/1065082618.db2.gz CFFCOLICZZSZMP-GJZGRUSLSA-N 0 0 454.445 4.832 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@H](C)Sc1ccccc1 ZINC001360212601 1065082999 /nfs/dbraw/zinc/08/29/99/1065082999.db2.gz AIRIZNXZOVQNGP-HZUJVAHNSA-N 0 0 482.481 4.617 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214561 1065083496 /nfs/dbraw/zinc/08/34/96/1065083496.db2.gz MGMMUAZCHXKGHW-DLBZAZTESA-N 0 0 453.421 4.781 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)c(Cl)c1 ZINC001360213817 1065083512 /nfs/dbraw/zinc/08/35/12/1065083512.db2.gz MDEOQWBUFDHXQN-UHFFFAOYSA-N 0 0 456.886 4.523 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC001435961397 1065083626 /nfs/dbraw/zinc/08/36/26/1065083626.db2.gz KZEJODKVOQKKBU-TZMCWYRMSA-N 0 0 454.354 4.944 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360214717 1065083712 /nfs/dbraw/zinc/08/37/12/1065083712.db2.gz APJFFIFTNMHTKX-YOEHRIQHSA-N 0 0 485.501 4.626 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)C(F)(F)F ZINC001545894534 1065084204 /nfs/dbraw/zinc/08/42/04/1065084204.db2.gz YIRMTTBDMCPIMX-LBPRGKRZSA-N 0 0 457.463 4.564 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)c2cc(S(C)(=O)=O)ccc2Br)cs1 ZINC001435963316 1065084245 /nfs/dbraw/zinc/08/42/45/1065084245.db2.gz YKOFHOGNYHLGED-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360216054 1065084378 /nfs/dbraw/zinc/08/43/78/1065084378.db2.gz GLDGBXLCRQHQJF-LRYGQEGESA-N 0 0 489.611 4.802 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)ccc21 ZINC001435963454 1065084296 /nfs/dbraw/zinc/08/42/96/1065084296.db2.gz ZSOZVXYCICONTQ-UHFFFAOYSA-N 0 0 457.958 4.850 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)s1 ZINC001435965145 1065084891 /nfs/dbraw/zinc/08/48/91/1065084891.db2.gz IAAFPPLLTIKMHS-CQSZACIVSA-N 0 0 450.486 4.751 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001360217886 1065085207 /nfs/dbraw/zinc/08/52/07/1065085207.db2.gz ATSGIDPJJQCXLV-JLMWRMLUSA-N 0 0 471.621 4.520 20 0 JJADRN COc1cc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc(OC)c1OC ZINC001435966947 1065085281 /nfs/dbraw/zinc/08/52/81/1065085281.db2.gz GGAXEEKXTBBPLZ-KRWDZBQOSA-N 0 0 452.320 4.885 20 0 JJADRN O=C(CCn1cnc2sccc2c1=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360220311 1065085673 /nfs/dbraw/zinc/08/56/73/1065085673.db2.gz DIQICWOJEVOOQL-HXUWFJFHSA-N 0 0 459.905 4.686 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001435968532 1065085614 /nfs/dbraw/zinc/08/56/14/1065085614.db2.gz QDJGSTGTMRJUJD-JZXOWHBKSA-N 0 0 455.860 4.633 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@H]1CC[C@H](F)C1 ZINC001360221853 1065086618 /nfs/dbraw/zinc/08/66/18/1065086618.db2.gz FVAWEJZDJJGNII-BZSNNMDCSA-N 0 0 462.639 4.518 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCc2ccc(F)cc2Br)c1 ZINC001435971394 1065086701 /nfs/dbraw/zinc/08/67/01/1065086701.db2.gz NDIMTFJBXFFATC-UHFFFAOYSA-N 0 0 455.755 4.834 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360224108 1065087558 /nfs/dbraw/zinc/08/75/58/1065087558.db2.gz ZEVSISRBIPGZBR-RTBURBONSA-N 0 0 499.553 4.821 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCc1cc2ccccc2s1 ZINC001360223648 1065087591 /nfs/dbraw/zinc/08/75/91/1065087591.db2.gz PSBXKXZGOKASEE-LJQANCHMSA-N 0 0 469.655 4.658 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c2o1 ZINC001435973080 1065087891 /nfs/dbraw/zinc/08/78/91/1065087891.db2.gz ACYLBRQUFVAGQD-UHFFFAOYSA-N 0 0 456.218 4.581 20 0 JJADRN CCCO[C@H]1CCCN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CC1 ZINC001360224911 1065088103 /nfs/dbraw/zinc/08/81/03/1065088103.db2.gz MJXZQFGLYLGURQ-QFIPXVFZSA-N 0 0 457.615 4.977 20 0 JJADRN COc1ccc(CN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C(C)(C)C)c(OC)c1 ZINC001435974371 1065088089 /nfs/dbraw/zinc/08/80/89/1065088089.db2.gz BKPREUHIFQAGAQ-UHFFFAOYSA-N 0 0 455.530 4.961 20 0 JJADRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(I)c(F)cc1F ZINC001435975106 1065088629 /nfs/dbraw/zinc/08/86/29/1065088629.db2.gz JBYNKJOXQAZTML-UHFFFAOYSA-N 0 0 459.274 4.637 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360226552 1065089116 /nfs/dbraw/zinc/08/91/16/1065089116.db2.gz CPYFMRDEZUAIAS-FCHUYYIVSA-N 0 0 453.631 4.549 20 0 JJADRN O=C(NCCc1ccc(Br)cc1F)c1cc(Br)cc2cccnc21 ZINC001360227506 1065089511 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JUFHIWVFGLCAIR-IDISGSTGSA-N 0 0 450.623 4.640 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCOc1cccc(Cl)c1 ZINC001360228374 1065090965 /nfs/dbraw/zinc/09/09/65/1065090965.db2.gz VNSDTBYHHIDCIK-IBGZPJMESA-N 0 0 460.003 4.552 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360228514 1065090992 /nfs/dbraw/zinc/09/09/92/1065090992.db2.gz XMBZGXXVKDBWIY-JOCHJYFZSA-N 0 0 496.656 4.775 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCCO[C@H](C)c1ccccc1 ZINC001360228347 1065091100 /nfs/dbraw/zinc/09/11/00/1065091100.db2.gz VIOIZZFKZKNTSJ-KNQAVFIVSA-N 0 0 467.639 4.987 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360228211 1065091127 /nfs/dbraw/zinc/09/11/27/1065091127.db2.gz UBTGOMKTZRPCTN-HBMCJLEFSA-N 0 0 477.575 4.997 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360228210 1065091171 /nfs/dbraw/zinc/09/11/71/1065091171.db2.gz UBTGOMKTZRPCTN-ACRUOGEOSA-N 0 0 477.575 4.997 20 0 JJADRN CC(C)OC[C@H](OC(=O)COc1cccc(I)c1)c1cccc(F)c1 ZINC001435981293 1065091090 /nfs/dbraw/zinc/09/10/90/1065091090.db2.gz SGQIQXQIIXNETR-SFHVURJKSA-N 0 0 458.267 4.519 20 0 JJADRN COc1cc(OC)c(CCNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC001360228738 1065091542 /nfs/dbraw/zinc/09/15/42/1065091542.db2.gz WGPQXVPDEVKRNL-UHFFFAOYSA-N 0 0 456.366 4.783 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1Cc1cscc1C(F)(F)F ZINC001360231495 1065091986 /nfs/dbraw/zinc/09/19/86/1065091986.db2.gz NDTKTCKUHNKQTB-HNNXBMFYSA-N 0 0 483.585 4.818 20 0 JJADRN COc1ccc(COC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c(OC(F)F)c1 ZINC001360232369 1065092239 /nfs/dbraw/zinc/09/22/39/1065092239.db2.gz GTLWQGVGMAPSAR-UHFFFAOYSA-N 0 0 458.248 4.600 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCCc1ccc(Br)cc1F ZINC001360231978 1065092421 /nfs/dbraw/zinc/09/24/21/1065092421.db2.gz WAEZPPJPGUOFAR-KRWDZBQOSA-N 0 0 459.400 4.822 20 0 JJADRN C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001435984485 1065092618 /nfs/dbraw/zinc/09/26/18/1065092618.db2.gz IIDNGZASSYSEFE-HNNXBMFYSA-N 0 0 450.988 4.654 20 0 JJADRN O=C(C[C@H]1OCCc2ccccc21)Nc1nc2ccc(I)cc2s1 ZINC001435984885 1065092795 /nfs/dbraw/zinc/09/27/95/1065092795.db2.gz GLGHXFWVRUSHCC-OAHLLOKOSA-N 0 0 450.301 4.544 20 0 JJADRN O=C(C[C@@H]1OCCc2ccccc21)Nc1nc2ccc(I)cc2s1 ZINC001435984882 1065092872 /nfs/dbraw/zinc/09/28/72/1065092872.db2.gz GLGHXFWVRUSHCC-HNNXBMFYSA-N 0 0 450.301 4.544 20 0 JJADRN O=C(CCCOc1ccccc1F)Nc1nc2ccc(I)cc2s1 ZINC001435984910 1065092939 /nfs/dbraw/zinc/09/29/39/1065092939.db2.gz GVAZZFDMPQPUNU-UHFFFAOYSA-N 0 0 456.280 4.838 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435986269 1065093331 /nfs/dbraw/zinc/09/33/31/1065093331.db2.gz JTRUBRGVKAHVSX-HIWACDCLSA-N 0 0 451.405 4.583 20 0 JJADRN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1)C2=O ZINC001360235387 1065093712 /nfs/dbraw/zinc/09/37/12/1065093712.db2.gz 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/nfs/dbraw/zinc/12/87/07/1065128707.db2.gz DEQQEGSBKBUWLL-QFIPXVFZSA-N 0 0 452.517 4.987 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001436032061 1065128764 /nfs/dbraw/zinc/12/87/64/1065128764.db2.gz WAZXQBHMEPNXRI-FOIQADDNSA-N 0 0 452.357 4.840 20 0 JJADRN Cc1cc(CN(C)C(=O)c2cc3n(n2)CCCC3=O)cc(C)c1OCc1ccccc1Cl ZINC001360295001 1065128813 /nfs/dbraw/zinc/12/88/13/1065128813.db2.gz WMBLOTYXDBLMBU-UHFFFAOYSA-N 0 0 451.954 4.981 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001436032553 1065129349 /nfs/dbraw/zinc/12/93/49/1065129349.db2.gz HYWSQJACXXWWEY-NRFANRHFSA-N 0 0 456.311 4.960 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360296257 1065129424 /nfs/dbraw/zinc/12/94/24/1065129424.db2.gz FQPGIQMLBMRMQD-UONOGXRCSA-N 0 0 450.322 4.559 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001360295725 1065129461 /nfs/dbraw/zinc/12/94/61/1065129461.db2.gz LBXWBZAMKBNZFO-RTWAWAEBSA-N 0 0 467.658 4.696 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 ZINC001360296318 1065129488 /nfs/dbraw/zinc/12/94/88/1065129488.db2.gz IKIVFHJFKRTWBC-UHFFFAOYSA-N 0 0 458.305 4.644 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001360295726 1065129495 /nfs/dbraw/zinc/12/94/95/1065129495.db2.gz LBXWBZAMKBNZFO-SFTDATJTSA-N 0 0 467.658 4.696 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1cccc2c1NC(=O)CO2 ZINC001360296439 1065130164 /nfs/dbraw/zinc/13/01/64/1065130164.db2.gz NCASGWJMSNKOCD-UHFFFAOYSA-N 0 0 456.285 4.829 20 0 JJADRN Cn1c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc2cc(C(F)(F)F)ccc21 ZINC001436033783 1065130532 /nfs/dbraw/zinc/13/05/32/1065130532.db2.gz ORYMXZJNSHCOKW-CQSZACIVSA-N 0 0 457.221 4.962 20 0 JJADRN Cc1cccc(CC(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1Br ZINC001436033462 1065130573 /nfs/dbraw/zinc/13/05/73/1065130573.db2.gz OSABUMAPTAOWQP-QFIPXVFZSA-N 0 0 451.405 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)[C@H](c2ccncc2)C1 ZINC001436033311 1065130601 /nfs/dbraw/zinc/13/06/01/1065130601.db2.gz LHKACTKDEUKCSZ-NRFANRHFSA-N 0 0 452.942 4.717 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(Br)c1 ZINC001360297327 1065130704 /nfs/dbraw/zinc/13/07/04/1065130704.db2.gz QNDIIUPIJBFQIQ-BBRMVZONSA-N 0 0 457.290 4.846 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC001360297281 1065130714 /nfs/dbraw/zinc/13/07/14/1065130714.db2.gz OPQIJMWOOWNTJP-JGCGQSQUSA-N 0 0 451.592 4.878 20 0 JJADRN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001436034462 1065131357 /nfs/dbraw/zinc/13/13/57/1065131357.db2.gz QNQUOFUFUSVGIE-XMMPIXPASA-N 0 0 458.562 4.886 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ncc(C(F)(F)F)cc1Br ZINC001436034049 1065131427 /nfs/dbraw/zinc/13/14/27/1065131427.db2.gz BHSVDBNCCHZKMR-UHFFFAOYSA-N 0 0 452.177 4.552 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001436034397 1065131477 /nfs/dbraw/zinc/13/14/77/1065131477.db2.gz POTQLSGOKKZWGF-QGZVFWFLSA-N 0 0 454.552 4.541 20 0 JJADRN O=C(NCc1ccsc1Br)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001436034763 1065131527 /nfs/dbraw/zinc/13/15/27/1065131527.db2.gz WQNPOJJRMFDUTO-UHFFFAOYSA-N 0 0 454.777 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)CCc3cccc(Br)c3)C2)C1 ZINC001436035157 1065131957 /nfs/dbraw/zinc/13/19/57/1065131957.db2.gz ZNBSJOWKDWOYJE-QFIPXVFZSA-N 0 0 451.405 4.631 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c(-c2ccccc2Cl)n1 ZINC001436034955 1065131965 /nfs/dbraw/zinc/13/19/65/1065131965.db2.gz SLAJHAQSSCZIEM-MRXNPFEDSA-N 0 0 450.695 4.506 20 0 JJADRN COCCCCN(C(=O)[C@H](C)[C@H]1OCCc2sccc21)c1ccc(Br)cn1 ZINC001436035806 1065132030 /nfs/dbraw/zinc/13/20/30/1065132030.db2.gz QRCPPSBWQFDQPX-AUUYWEPGSA-N 0 0 453.402 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2CCc3ccccc3OC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436035968 1065132044 /nfs/dbraw/zinc/13/20/44/1065132044.db2.gz PHKJJJJGEXIPPB-VSKRKVRLSA-N 0 0 470.997 4.801 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CC1=O ZINC001360299036 1065132153 /nfs/dbraw/zinc/13/21/53/1065132153.db2.gz ALVHGTDSVZEBEN-HKUYNNGSSA-N 0 0 454.979 4.863 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)c3csc(CNC(=O)OC(C)(C)C)n3)c2)cn1 ZINC001436036597 1065132757 /nfs/dbraw/zinc/13/27/57/1065132757.db2.gz AGECUVHNCGPCIP-UHFFFAOYSA-N 0 0 454.552 4.799 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(Br)cs2)cs1)c1cccs1 ZINC001360300280 1065133068 /nfs/dbraw/zinc/13/30/68/1065133068.db2.gz KQZIUBRBEABHBJ-LLVKDONJSA-N 0 0 456.412 4.902 20 0 JJADRN O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001436037973 1065133435 /nfs/dbraw/zinc/13/34/35/1065133435.db2.gz MPHWHWHDYAAPQX-NRFANRHFSA-N 0 0 456.464 4.627 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cn1c2ccccc2nc1-c1ccccc1)C(C)(C)C ZINC001436038738 1065133459 /nfs/dbraw/zinc/13/34/59/1065133459.db2.gz LECBGEMFEFBGDF-OAQYLSRUSA-N 0 0 450.583 4.759 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCC(c4cccc(Br)c4)CC3)CC2=O)cc1C ZINC001436039791 1065134218 /nfs/dbraw/zinc/13/42/18/1065134218.db2.gz AHPKNLJSBIBSEE-HXUWFJFHSA-N 0 0 455.396 4.825 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4cccc(Br)c4)CC3)CC2=O)cc1C ZINC001436039790 1065134312 /nfs/dbraw/zinc/13/43/12/1065134312.db2.gz AHPKNLJSBIBSEE-FQEVSTJZSA-N 0 0 455.396 4.825 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 ZINC001360302039 1065134396 /nfs/dbraw/zinc/13/43/96/1065134396.db2.gz PUZYFDROEMBNPM-OAQYLSRUSA-N 0 0 479.629 4.635 20 0 JJADRN O=C(Nc1ncc(C(F)(F)F)cc1Br)c1cc(Cl)c2c(c1)OCCCO2 ZINC001436040467 1065135040 /nfs/dbraw/zinc/13/50/40/1065135040.db2.gz RLGSZFMOSQWXGD-UHFFFAOYSA-N 0 0 451.626 4.930 20 0 JJADRN COc1ccc(-n2nc(C(=O)Nc3ncc(C(F)(F)F)cc3Br)cc2C)cc1 ZINC001436040241 1065135048 /nfs/dbraw/zinc/13/50/48/1065135048.db2.gz OSEBSPMTDDBAMR-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC001360302749 1065135753 /nfs/dbraw/zinc/13/57/53/1065135753.db2.gz MHOMWMKTKXLUKG-GMAHTHKFSA-N 0 0 454.567 4.946 20 0 JJADRN COc1cc(NC(=O)c2c(Br)cccc2Br)c(OC)c(C)c1OC ZINC001436041117 1065135794 /nfs/dbraw/zinc/13/57/94/1065135794.db2.gz FHFZUYAKHWJHIA-UHFFFAOYSA-N 0 0 459.134 4.798 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)cn2)c1C ZINC001360303571 1065136387 /nfs/dbraw/zinc/13/63/87/1065136387.db2.gz IFAQBUOHMGSPQM-OAQYLSRUSA-N 0 0 459.546 4.747 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3csc(I)n3)cn2)c1C ZINC001360303716 1065136393 /nfs/dbraw/zinc/13/63/93/1065136393.db2.gz LUQLEMPYXIGKHR-UHFFFAOYSA-N 0 0 451.289 4.804 20 0 JJADRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCn1ccccc1=O ZINC001436041664 1065136526 /nfs/dbraw/zinc/13/65/26/1065136526.db2.gz HYHFCQIFKXKFCS-JOCHJYFZSA-N 0 0 458.480 4.926 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@@H]1CC(c2ccccn2)=NO1 ZINC001436042941 1065137145 /nfs/dbraw/zinc/13/71/45/1065137145.db2.gz XRSRGNAWGSHJGN-FQEVSTJZSA-N 0 0 456.271 4.907 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)c2cnc(-c3ccccc3Br)s2)cc1F ZINC001436043228 1065138082 /nfs/dbraw/zinc/13/80/82/1065138082.db2.gz FHROCJPHJZMXOQ-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCC(C)(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001360304893 1065138623 /nfs/dbraw/zinc/13/86/23/1065138623.db2.gz RQXGAOSDTUTURU-HHHXNRCGSA-N 0 0 498.672 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C(C)(C)C1 ZINC001436044203 1065138559 /nfs/dbraw/zinc/13/85/59/1065138559.db2.gz PXYRJNONHLWNJX-OAQYLSRUSA-N 0 0 451.567 4.704 20 0 JJADRN CC(C)c1ncc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cn1 ZINC001436045917 1065140613 /nfs/dbraw/zinc/14/06/13/1065140613.db2.gz OZKABPUPPBOYBJ-UHFFFAOYSA-N 0 0 453.340 4.796 20 0 JJADRN O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001436045388 1065140638 /nfs/dbraw/zinc/14/06/38/1065140638.db2.gz HUOVUWAFKUPSBK-SFHVURJKSA-N 0 0 459.359 4.737 20 0 JJADRN CC(C)(C)n1nc(C(=O)NCc2ccc(I)c(Cl)c2)cc1C1CC1 ZINC001436046348 1065141181 /nfs/dbraw/zinc/14/11/81/1065141181.db2.gz VHKVGVRPEASBKB-UHFFFAOYSA-N 0 0 457.743 4.704 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC001360306634 1065141929 /nfs/dbraw/zinc/14/19/29/1065141929.db2.gz DNSSRFOWHMLFNN-MRXNPFEDSA-N 0 0 451.573 4.768 20 0 JJADRN CC(C)[C@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(F)cc1 ZINC001436047978 1065142497 /nfs/dbraw/zinc/14/24/97/1065142497.db2.gz ISVOZFPKHWVYHL-NRFANRHFSA-N 0 0 454.527 4.924 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(F)cc2cccnc21 ZINC001360308243 1065143059 /nfs/dbraw/zinc/14/30/59/1065143059.db2.gz IAUUZPWPYGEQIV-UHFFFAOYSA-N 0 0 456.445 4.878 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1OC ZINC001436049048 1065143126 /nfs/dbraw/zinc/14/31/26/1065143126.db2.gz UEZYFQPKMGMQJM-UHFFFAOYSA-N 0 0 452.576 4.687 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049258 1065143131 /nfs/dbraw/zinc/14/31/31/1065143131.db2.gz YBDHBAWMQWGFTB-POAQFYNOSA-N 0 0 454.396 4.588 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N(C)Cc3cn(-c4cccc(Br)c4)nn3)s2)o1 ZINC001436049595 1065144189 /nfs/dbraw/zinc/14/41/89/1065144189.db2.gz ZENYOFHFCMFSHD-UHFFFAOYSA-N 0 0 457.353 4.932 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC001436051598 1065145210 /nfs/dbraw/zinc/14/52/10/1065145210.db2.gz HBFLUGSWVHMCOF-SFHVURJKSA-N 0 0 457.415 4.686 20 0 JJADRN O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC001436052154 1065146074 /nfs/dbraw/zinc/14/60/74/1065146074.db2.gz DPTJNNDUBVBYJT-UHFFFAOYSA-N 0 0 450.892 4.951 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)COc1cccc(Br)c1 ZINC001436054735 1065147951 /nfs/dbraw/zinc/14/79/51/1065147951.db2.gz RVKOVLPQTMHNMS-HNNXBMFYSA-N 0 0 453.174 4.954 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)NCCNC(=O)c1c(F)cccc1F)c1ccccc1 ZINC001360311322 1065148449 /nfs/dbraw/zinc/14/84/49/1065148449.db2.gz SRBAJIDRJLWBJE-QFIPXVFZSA-N 0 0 458.892 4.593 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001436056263 1065148709 /nfs/dbraw/zinc/14/87/09/1065148709.db2.gz ZUFPLYLYPUXABN-ZDUSSCGKSA-N 0 0 456.306 4.517 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCC3(SC)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001436055736 1065148730 /nfs/dbraw/zinc/14/87/30/1065148730.db2.gz MTZUXXMSELYKGG-VWNXMTODSA-N 0 0 452.620 4.890 20 0 JJADRN CC[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccc(Cl)s1 ZINC001360314646 1065149257 /nfs/dbraw/zinc/14/92/57/1065149257.db2.gz PEFDXHNNBRSUKG-GFCCVEGCSA-N 0 0 457.777 4.547 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)OC)CC1=O ZINC001436056449 1065149266 /nfs/dbraw/zinc/14/92/66/1065149266.db2.gz NSVHYOQCBQBKDC-FPOVZHCZSA-N 0 0 450.579 4.533 20 0 JJADRN CC(C)(C)Nc1ccccc1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC001436056455 1065149434 /nfs/dbraw/zinc/14/94/34/1065149434.db2.gz NXYVFLWHHUTPAK-UHFFFAOYSA-N 0 0 453.402 4.852 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001436057514 1065149849 /nfs/dbraw/zinc/14/98/49/1065149849.db2.gz SVSPFXRGCZLCOP-UHFFFAOYSA-N 0 0 454.954 4.920 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCN(c2nccs2)CC1 ZINC001436057077 1065149877 /nfs/dbraw/zinc/14/98/77/1065149877.db2.gz RTEHQTXORCWIMA-UHFFFAOYSA-N 0 0 452.527 4.613 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)NCCCc2ccc(Br)cc2F)CCN1C(=O)OC(C)(C)C ZINC001360317017 1065150404 /nfs/dbraw/zinc/15/04/04/1065150404.db2.gz DGACEROILXNFAU-FUHWJXTLSA-N 0 0 457.384 4.673 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001436059327 1065151116 /nfs/dbraw/zinc/15/11/16/1065151116.db2.gz PRFYOCSKQNPRBR-UHFFFAOYSA-N 0 0 450.966 4.615 20 0 JJADRN CCN(C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317466 1065151252 /nfs/dbraw/zinc/15/12/52/1065151252.db2.gz UKLFTRMBJCYNCH-OYHNWAKOSA-N 0 0 453.505 4.506 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CCOC1 ZINC001360319396 1065153410 /nfs/dbraw/zinc/15/34/10/1065153410.db2.gz HJYPETYGQPITQQ-WAIKUNEKSA-N 0 0 490.699 4.775 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360319227 1065153589 /nfs/dbraw/zinc/15/35/89/1065153589.db2.gz FKGRDTSAFIZJGF-XQZLXVFMSA-N 0 0 456.631 4.699 20 0 JJADRN O=C(CCSc1ccccc1F)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001436062062 1065153584 /nfs/dbraw/zinc/15/35/84/1065153584.db2.gz KQJFWJJOORLEIX-UHFFFAOYSA-N 0 0 455.368 4.554 20 0 JJADRN CCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)cc2)no1 ZINC001436061799 1065153609 /nfs/dbraw/zinc/15/36/09/1065153609.db2.gz JIEALAFWNXTWDF-UHFFFAOYSA-N 0 0 452.417 4.929 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3ccco3)n2Cc2ccccc2Br)CCOC1 ZINC001360319465 1065154038 /nfs/dbraw/zinc/15/40/38/1065154038.db2.gz IICYGJDWRQGORP-SBUREZEXSA-N 0 0 489.414 4.920 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H]2CCSC2(C)C)CCOC1 ZINC001360319660 1065154112 /nfs/dbraw/zinc/15/41/12/1065154112.db2.gz LMAYUDPFUXDFGT-DMJCMNNJSA-N 0 0 474.671 4.753 20 0 JJADRN CCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)nnn1Cc1ccccc1 ZINC001436063303 1065154058 /nfs/dbraw/zinc/15/40/58/1065154058.db2.gz UGFIETQMLNRSHQ-UHFFFAOYSA-N 0 0 456.428 4.518 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CC(C)(C)Oc4ccccc43)c2)C1 ZINC001436063175 1065154077 /nfs/dbraw/zinc/15/40/77/1065154077.db2.gz MMMVNWHREWKPCF-IXFSTUDKSA-N 0 0 457.592 4.812 20 0 JJADRN Cc1sc2ncnc(N3CCC(C(=O)OCc4ncc(C(F)(F)F)s4)CC3)c2c1C ZINC001436062835 1065154180 /nfs/dbraw/zinc/15/41/80/1065154180.db2.gz WVYHJMNPWOSULW-UHFFFAOYSA-N 0 0 456.515 4.743 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H](C)Oc2cccc(F)c2)CCOC1 ZINC001360319778 1065154798 /nfs/dbraw/zinc/15/47/98/1065154798.db2.gz MWFQPQIXMVZYEO-MPCDZSKCSA-N 0 0 472.561 4.716 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H]2CCC(F)(F)C2)CCOC1 ZINC001360319819 1065154936 /nfs/dbraw/zinc/15/49/36/1065154936.db2.gz NQPDFZKHGCHIKD-PMAPCBKXSA-N 0 0 464.557 4.657 20 0 JJADRN CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC001436063344 1065154897 /nfs/dbraw/zinc/15/48/97/1065154897.db2.gz VJFALTXZXIQRJA-OUKQBFOZSA-N 0 0 458.518 4.510 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@@H]2CC[C@@H](F)C2)CCOC1 ZINC001360320070 1065155540 /nfs/dbraw/zinc/15/55/40/1065155540.db2.gz RHERYJHPCSLFRJ-RKCWLVDCSA-N 0 0 474.621 4.620 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC001436065553 1065155637 /nfs/dbraw/zinc/15/56/37/1065155637.db2.gz OFLPIKSBFZATFP-UHFFFAOYSA-N 0 0 451.500 4.560 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[C@H]2CCCCO2)CCOC1 ZINC001360320161 1065155695 /nfs/dbraw/zinc/15/56/95/1065155695.db2.gz SVNGLLNKALWRFE-WZOHSFFVSA-N 0 0 460.594 4.614 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC001436066268 1065156349 /nfs/dbraw/zinc/15/63/49/1065156349.db2.gz UFUYINFXRPGMRV-SGJUXQJHSA-N 0 0 453.739 4.638 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@H]2CCC[C@H]2C)CCOC1 ZINC001360320826 1065157828 /nfs/dbraw/zinc/15/78/28/1065157828.db2.gz GHHRHLSOVFMVBN-BUKPSGGLSA-N 0 0 466.548 4.809 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2cccc(C(F)F)c2)CCOC1 ZINC001360321014 1065157983 /nfs/dbraw/zinc/15/79/83/1065157983.db2.gz IRPJLIWFKJCOSE-XMMPIXPASA-N 0 0 491.970 4.989 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001436068954 1065158132 /nfs/dbraw/zinc/15/81/32/1065158132.db2.gz CPRSQULZPNVNNA-OPAMFIHVSA-N 0 0 459.514 4.970 20 0 JJADRN Cc1ccc(F)c(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1Br ZINC001436068905 1065158182 /nfs/dbraw/zinc/15/81/82/1065158182.db2.gz BUBUIGOWLZPYTC-HXUWFJFHSA-N 0 0 453.283 4.586 20 0 JJADRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1I ZINC001436069299 1065158207 /nfs/dbraw/zinc/15/82/07/1065158207.db2.gz BKAHZJYWQXVSGX-SNVBAGLBSA-N 0 0 450.103 4.682 20 0 JJADRN C/C=C/COc1cccc(CC(=O)NCc2ccc(Cl)cc2I)c1 ZINC001436069280 1065158250 /nfs/dbraw/zinc/15/82/50/1065158250.db2.gz AOACZNKLOMKFKF-NSCUHMNNSA-N 0 0 455.723 4.758 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCOC(F)(F)F)CCOC1 ZINC001360322286 1065159231 /nfs/dbraw/zinc/15/92/31/1065159231.db2.gz UBSGZMTUJGNKBY-FQEVSTJZSA-N 0 0 494.917 4.674 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2c(Br)cnn2C)cc1C ZINC001360321474 1065159290 /nfs/dbraw/zinc/15/92/90/1065159290.db2.gz LMANOTWNTNMYJH-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN Cc1ccc2cc(Cl)cc(C(=O)NCc3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)c2n1 ZINC001436070422 1065159565 /nfs/dbraw/zinc/15/95/65/1065159565.db2.gz OKUQZKSKYKHCFT-UHFFFAOYSA-N 0 0 456.873 4.549 20 0 JJADRN Cc1ccc([C@H](NC(=O)CSc2ccc3c4c(cccc42)CC3)[C@H](C)S(C)(=O)=O)cc1 ZINC001436071035 1065160208 /nfs/dbraw/zinc/16/02/08/1065160208.db2.gz WHEVBKGPSSKLRV-SSOJOUAXSA-N 0 0 453.629 4.630 20 0 JJADRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001436072036 1065161019 /nfs/dbraw/zinc/16/10/19/1065161019.db2.gz OROIVPBVQPTSMQ-DENIHFKCSA-N 0 0 452.448 4.856 20 0 JJADRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001436072041 1065161059 /nfs/dbraw/zinc/16/10/59/1065161059.db2.gz OROIVPBVQPTSMQ-UGKGYDQZSA-N 0 0 452.448 4.856 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)c1C ZINC001436073467 1065162338 /nfs/dbraw/zinc/16/23/38/1065162338.db2.gz KVJUEXXIKOUADL-XZOQPEGZSA-N 0 0 451.954 4.534 20 0 JJADRN COc1ccc(C2(CNC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)CCCCC2)cc1OC ZINC001360324214 1065162645 /nfs/dbraw/zinc/16/26/45/1065162645.db2.gz PXAUVANLAVBHCH-HRFSGMKKSA-N 0 0 472.626 4.812 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360324141 1065162837 /nfs/dbraw/zinc/16/28/37/1065162837.db2.gz MCVKLNIEHLIMON-DHIUTWEWSA-N 0 0 465.063 4.894 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC001436075382 1065162900 /nfs/dbraw/zinc/16/29/00/1065162900.db2.gz IGFHBZYEPGTOSO-OAQYLSRUSA-N 0 0 454.983 4.963 20 0 JJADRN COc1ccc([C@@H](CC(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)NC(C)=O)cc1 ZINC001436074610 1065162967 /nfs/dbraw/zinc/16/29/67/1065162967.db2.gz RXLZMVSWKUDVEO-HXUWFJFHSA-N 0 0 459.518 4.535 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(Br)cc2Cl)c1 ZINC001436074386 1065163096 /nfs/dbraw/zinc/16/30/96/1065163096.db2.gz SRLAHSSYDPCUQD-UHFFFAOYSA-N 0 0 455.132 4.941 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@H]2OCCC2(C)C)CCOC1 ZINC001360324345 1065163700 /nfs/dbraw/zinc/16/37/00/1065163700.db2.gz OBMFWZWYPBEDDV-GBXCKJPGSA-N 0 0 496.574 4.789 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C2CC(C(C)(C)C)C2)CCOC1 ZINC001360324493 1065163718 /nfs/dbraw/zinc/16/37/18/1065163718.db2.gz PCUXODQNBAVBFT-VMDDLLOMSA-N 0 0 488.698 4.690 20 0 JJADRN COC(=O)c1cc(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)n(-c2ccccc2)n1 ZINC001436075522 1065163784 /nfs/dbraw/zinc/16/37/84/1065163784.db2.gz KSHASVWPFDDSNN-UHFFFAOYSA-N 0 0 458.345 4.817 20 0 JJADRN COC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC001436074861 1065163818 /nfs/dbraw/zinc/16/38/18/1065163818.db2.gz FLLNNYCONKVOTR-DEOSSOPVSA-N 0 0 450.966 4.849 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)sc1Cc1cccc(Cl)c1F ZINC001436074812 1065163833 /nfs/dbraw/zinc/16/38/33/1065163833.db2.gz DVIWLNYGYJCFTE-AWEZNQCLSA-N 0 0 456.008 4.721 20 0 JJADRN Cc1nc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc1Cc1c(F)cccc1F ZINC001436075002 1065163837 /nfs/dbraw/zinc/16/38/37/1065163837.db2.gz UYAZGIVNEZTBTF-UHFFFAOYSA-N 0 0 450.532 4.755 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C1CCCC1 ZINC001436076785 1065165188 /nfs/dbraw/zinc/16/51/88/1065165188.db2.gz IOLHVOAWKRZXRF-NRFANRHFSA-N 0 0 456.583 4.890 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC2(C)CCOCC2)CCOC1 ZINC001360324831 1065165687 /nfs/dbraw/zinc/16/56/87/1065165687.db2.gz SQDNQSYVJAOXGH-DEOSSOPVSA-N 0 0 481.012 4.564 20 0 JJADRN Cc1cnc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)nc1-c1ccccc1 ZINC001436078308 1065165932 /nfs/dbraw/zinc/16/59/32/1065165932.db2.gz JHFOVFWJQVESFV-BGYRXZFFSA-N 0 0 458.562 4.873 20 0 JJADRN Cc1cnc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)nc1-c1ccccc1 ZINC001436078315 1065165937 /nfs/dbraw/zinc/16/59/37/1065165937.db2.gz JHFOVFWJQVESFV-WOJBJXKFSA-N 0 0 458.562 4.873 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@@H](C)O[C@@]4(CCCOC4)C3)CCCCC2)c(Br)c1 ZINC001436078316 1065165980 /nfs/dbraw/zinc/16/59/80/1065165980.db2.gz OZSXBVSLVILKMV-GCJKJVERSA-N 0 0 450.417 4.756 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc4ccccc4[nH]3)n2CCCC(F)(F)F)CCOC1 ZINC001360325143 1065166244 /nfs/dbraw/zinc/16/62/44/1065166244.db2.gz YYDBLTZQMWSYIQ-JOCHJYFZSA-N 0 0 465.520 4.779 20 0 JJADRN Cc1cnc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)nc1-c1ccccc1 ZINC001436078900 1065166430 /nfs/dbraw/zinc/16/64/30/1065166430.db2.gz OMPZZISXCLIGIZ-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccs3)n2C[C@H]2CCSC2(C)C)CCOC1 ZINC001360325206 1065166797 /nfs/dbraw/zinc/16/67/97/1065166797.db2.gz ZZAXVHSNNBILIW-VGSWGCGISA-N 0 0 450.674 4.548 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccoc3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001360325298 1065166870 /nfs/dbraw/zinc/16/68/70/1065166870.db2.gz BINXBAVQFBIGQI-QHCPKHFHSA-N 0 0 462.953 4.583 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)C(C)C)c2)ccc1Br ZINC001436081094 1065167596 /nfs/dbraw/zinc/16/75/96/1065167596.db2.gz ULLXMRCQTZXSTC-FQEVSTJZSA-N 0 0 450.398 4.917 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC001436081082 1065167681 /nfs/dbraw/zinc/16/76/81/1065167681.db2.gz UDTCPYXFNIRGKC-RXVVDRJESA-N 0 0 459.359 4.804 20 0 JJADRN O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC001436081081 1065167698 /nfs/dbraw/zinc/16/76/98/1065167698.db2.gz UDTCPYXFNIRGKC-NQIIRXRSSA-N 0 0 459.359 4.804 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccsc3)n2C[C@H](C)Oc2ccccc2F)CCOC1 ZINC001360325936 1065168133 /nfs/dbraw/zinc/16/81/33/1065168133.db2.gz 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ZINC001436119254 1065192327 /nfs/dbraw/zinc/19/23/27/1065192327.db2.gz KIDWTCHMASJONO-NRFANRHFSA-N 0 0 453.341 4.505 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC001436119498 1065193036 /nfs/dbraw/zinc/19/30/36/1065193036.db2.gz UNEBYPVBSQFJPW-QHCPKHFHSA-N 0 0 455.917 4.503 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1nc(Br)ccc1C)C1CC1 ZINC001436120104 1065193044 /nfs/dbraw/zinc/19/30/44/1065193044.db2.gz VAFJNCQZGUPYFB-SFHVURJKSA-N 0 0 451.748 4.715 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2CCSC(C)C)CCOC1 ZINC001360343348 1065193554 /nfs/dbraw/zinc/19/35/54/1065193554.db2.gz JZSHXBVTMAUYPA-RCZVLFRGSA-N 0 0 458.672 4.672 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H]3C(C)C)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360343991 1065193608 /nfs/dbraw/zinc/19/36/08/1065193608.db2.gz VDKODUMXWDQUJR-CLOONOSVSA-N 0 0 475.703 4.940 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCCC3(C)C)n2Cc2ccccc2C(F)(F)F)CCOC1 ZINC001360344184 1065193697 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MCZBKQNBHOVSFU-UHFFFAOYSA-N 0 0 454.477 4.915 20 0 JJADRN O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001436122940 1065197058 /nfs/dbraw/zinc/19/70/58/1065197058.db2.gz MBVSHZVRMHDTCH-GOSISDBHSA-N 0 0 455.605 4.579 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2Cc2ccc(Cl)cc2)CCOC1 ZINC001360351082 1065197742 /nfs/dbraw/zinc/19/77/42/1065197742.db2.gz APWMIMHSLYBURS-FQELHTAISA-N 0 0 472.939 4.655 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(C)ccc2I)CC1 ZINC001436123869 1065197789 /nfs/dbraw/zinc/19/77/89/1065197789.db2.gz BJQDKSXXXGLJBF-UHFFFAOYSA-N 0 0 459.331 4.735 20 0 JJADRN Cc1sc2ncnc(N3CCC(C(=O)NCc4cc(F)c(Cl)cc4F)CC3)c2c1C ZINC001436124589 1065198484 /nfs/dbraw/zinc/19/84/84/1065198484.db2.gz OVUSCVJMVSTWAF-UHFFFAOYSA-N 0 0 450.942 4.773 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1cccc(Br)c1 ZINC001436124666 1065198503 /nfs/dbraw/zinc/19/85/03/1065198503.db2.gz VJEWJKWFTHYEQC-IEBWSBKVSA-N 0 0 459.384 4.718 20 0 JJADRN O=C(NCCNC(=O)c1ccc(F)cc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001360351126 1065198576 /nfs/dbraw/zinc/19/85/76/1065198576.db2.gz KNTPNPWZIYXYFZ-JWGURIENSA-N 0 0 454.448 4.514 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H](CCc2ccccc2)C(C)C)c1 ZINC001360351730 1065198592 /nfs/dbraw/zinc/19/85/92/1065198592.db2.gz SNRUROKWMNYRAU-BJKOFHAPSA-N 0 0 450.579 4.698 20 0 JJADRN O=C(NCCNC(=O)c1ccc(F)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001360351125 1065198606 /nfs/dbraw/zinc/19/86/06/1065198606.db2.gz KNTPNPWZIYXYFZ-CJLVFECKSA-N 0 0 454.448 4.514 20 0 JJADRN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001436124335 1065198524 /nfs/dbraw/zinc/19/85/24/1065198524.db2.gz DHVZGKULFWOHTE-GOSISDBHSA-N 0 0 453.558 4.864 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1)OCc1ccccc1 ZINC001436124863 1065199097 /nfs/dbraw/zinc/19/90/97/1065199097.db2.gz XZSNPDOCDLSCQT-OZXSUGGESA-N 0 0 458.558 4.972 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)CCOCC1 ZINC001436125304 1065199342 /nfs/dbraw/zinc/19/93/42/1065199342.db2.gz JKVDQBJCSHSHTK-UHFFFAOYSA-N 0 0 453.322 4.869 20 0 JJADRN O=C(NCc1sccc1Br)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001436126030 1065200009 /nfs/dbraw/zinc/20/00/09/1065200009.db2.gz HJMCANRNHXIYQO-MRXNPFEDSA-N 0 0 458.219 4.726 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CCSC[C@@H]3C)n2Cc2cccc(COC(C)(C)C)c2)CCOC1 ZINC001360352525 1065200025 /nfs/dbraw/zinc/20/00/25/1065200025.db2.gz SMARHIYUKOHVHX-FNZWTVRRSA-N 0 0 488.698 4.624 20 0 JJADRN Cc1cc(-n2cccn2)ccc1NC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C ZINC001436126032 1065200148 /nfs/dbraw/zinc/20/01/48/1065200148.db2.gz HMUIJYIZZIKFQX-UHFFFAOYSA-N 0 0 450.539 4.679 20 0 JJADRN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001436126578 1065200496 /nfs/dbraw/zinc/20/04/96/1065200496.db2.gz YQHKDKQEGOQMCG-VWLOTQADSA-N 0 0 457.954 4.674 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)OCc1cccc(N2CCCC2=O)c1 ZINC001436127933 1065201255 /nfs/dbraw/zinc/20/12/55/1065201255.db2.gz HHSXMDGXZCUPDS-UHFFFAOYSA-N 0 0 454.320 4.851 20 0 JJADRN CN(C(=O)c1c(F)c(Br)ccc1I)[C@H]1CCC(C)(C)C1 ZINC001436130325 1065203238 /nfs/dbraw/zinc/20/32/38/1065203238.db2.gz NEUZAUILCCYYLU-VIFPVBQESA-N 0 0 454.121 4.844 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H]2CCSC2)cc1 ZINC001360354484 1065203214 /nfs/dbraw/zinc/20/32/14/1065203214.db2.gz QETGRUYYLXBQDZ-GOSISDBHSA-N 0 0 490.471 4.823 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC001360354496 1065203223 /nfs/dbraw/zinc/20/32/23/1065203223.db2.gz QNKYADYOSGRRRI-IRXDYDNUSA-N 0 0 486.414 4.552 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(=O)N(C)C)CC2)cc1 ZINC001360354464 1065203301 /nfs/dbraw/zinc/20/33/01/1065203301.db2.gz PTTQKCLHMLPILP-UHFFFAOYSA-N 0 0 497.043 4.524 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)cc1 ZINC001360354652 1065203890 /nfs/dbraw/zinc/20/38/90/1065203890.db2.gz VROSUQWDUBATJN-KRWDZBQOSA-N 0 0 476.444 4.813 20 0 JJADRN CO[C@@H](C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1)C1CCCC1 ZINC001436132199 1065204713 /nfs/dbraw/zinc/20/47/13/1065204713.db2.gz PRLPQJZIMGGEMJ-WOJBJXKFSA-N 0 0 456.446 4.757 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CSc2ccc(C(C)C)cc2)c1 ZINC001360355286 1065204856 /nfs/dbraw/zinc/20/48/56/1065204856.db2.gz QSIIISYRSVDEQA-JOCHJYFZSA-N 0 0 454.592 4.709 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC001360355355 1065205315 /nfs/dbraw/zinc/20/53/15/1065205315.db2.gz SQCKALNMWNKIAN-JTHBVZDNSA-N 0 0 452.551 4.886 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001360355760 1065205430 /nfs/dbraw/zinc/20/54/30/1065205430.db2.gz FBJAJUCMKCZVRK-WIYYLYMNSA-N 0 0 484.645 4.516 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001360356143 1065205799 /nfs/dbraw/zinc/20/57/99/1065205799.db2.gz OXLRZNUZUMLPFN-NRFANRHFSA-N 0 0 499.656 4.501 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC001360356069 1065205920 /nfs/dbraw/zinc/20/59/20/1065205920.db2.gz NBSSMOUEWHFLFU-XHVUARLKSA-N 0 0 467.639 4.711 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001360356144 1065206393 /nfs/dbraw/zinc/20/63/93/1065206393.db2.gz OXLRZNUZUMLPFN-OAQYLSRUSA-N 0 0 499.656 4.501 20 0 JJADRN CC(C)Oc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)cc1 ZINC001360356336 1065206443 /nfs/dbraw/zinc/20/64/43/1065206443.db2.gz ULEASPYLPORPCU-HSZRJFAPSA-N 0 0 499.656 4.658 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C3CCC3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC001360356388 1065206577 /nfs/dbraw/zinc/20/65/77/1065206577.db2.gz WEQWRBYOGNIHDO-IBGZPJMESA-N 0 0 498.672 4.906 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)Cc3c(OC)cccc3OC)CC2)n1 ZINC001436135917 1065207065 /nfs/dbraw/zinc/20/70/65/1065207065.db2.gz CAKVPBZMPDSJHV-UHFFFAOYSA-N 0 0 452.576 4.785 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)Oc1ccc(Oc3ncc(Br)cn3)cc1)C2 ZINC001436135922 1065207103 /nfs/dbraw/zinc/20/71/03/1065207103.db2.gz RATPZPHHPIPTDZ-MRXNPFEDSA-N 0 0 455.308 4.751 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001436136540 1065207527 /nfs/dbraw/zinc/20/75/27/1065207527.db2.gz WDXIDLNKPWDGDC-QGZVFWFLSA-N 0 0 454.933 4.718 20 0 JJADRN Cc1nc(-c2cccc(C(=O)NCc3nc(-c4cccc(Br)c4)no3)c2)cs1 ZINC001436136163 1065207599 /nfs/dbraw/zinc/20/75/99/1065207599.db2.gz BRIGGNGFKGNGFM-UHFFFAOYSA-N 0 0 455.337 4.861 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)NCc1ccc(-c2ccco2)cc1F)C(=O)N1CCCC1 ZINC001436136784 1065207637 /nfs/dbraw/zinc/20/76/37/1065207637.db2.gz ZSJSKIVCOFUKTO-MRXNPFEDSA-N 0 0 453.539 4.514 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)cn1 ZINC001360357354 1065208333 /nfs/dbraw/zinc/20/83/33/1065208333.db2.gz HOOTXNSELJSVES-UHFFFAOYSA-N 0 0 484.442 4.903 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC(F)(F)F)cn1 ZINC001360357365 1065208412 /nfs/dbraw/zinc/20/84/12/1065208412.db2.gz HXOXMGZZNFWDLB-UHFFFAOYSA-N 0 0 453.896 4.751 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](CCc3ccccc3)C2)cn1 ZINC001360357385 1065208423 /nfs/dbraw/zinc/20/84/23/1065208423.db2.gz ICOXSWKJOSVQKF-XMMPIXPASA-N 0 0 477.653 4.935 20 0 JJADRN CCc1c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cnn1-c1cccc(Cl)c1 ZINC001436138129 1065208704 /nfs/dbraw/zinc/20/87/04/1065208704.db2.gz LZRUEUCNNOBHFC-UHFFFAOYSA-N 0 0 455.927 4.571 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001360357613 1065208870 /nfs/dbraw/zinc/20/88/70/1065208870.db2.gz VDFQGACVWCRPGK-ZDUSSCGKSA-N 0 0 450.532 4.914 20 0 JJADRN C[C@H](CSc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC001436138406 1065209316 /nfs/dbraw/zinc/20/93/16/1065209316.db2.gz ODDFUGDONMBCHS-GFCCVEGCSA-N 0 0 450.333 4.683 20 0 JJADRN Cc1cccc2cc(C(=O)NCc3nc(-c4cccc(Br)c4)no3)c(Cl)nc12 ZINC001436138893 1065209423 /nfs/dbraw/zinc/20/94/23/1065209423.db2.gz SLBGDTBVJZGADX-UHFFFAOYSA-N 0 0 457.715 4.939 20 0 JJADRN CC(C)C[C@](C)(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001436139651 1065209898 /nfs/dbraw/zinc/20/98/98/1065209898.db2.gz ZTBBKVGRLUNPGN-DVECYGJZSA-N 0 0 457.412 4.875 20 0 JJADRN Cc1ccc(Br)c(OC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c1F ZINC001436140113 1065210428 /nfs/dbraw/zinc/21/04/28/1065210428.db2.gz FEUSJWNTWAVYPX-LLVKDONJSA-N 0 0 457.093 4.691 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccc2)c1 ZINC001436140452 1065210442 /nfs/dbraw/zinc/21/04/42/1065210442.db2.gz HUFLVXKXWWKNPB-APTRMMRNSA-N 0 0 453.579 4.970 20 0 JJADRN CC(C)Oc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCSC(C)(C)C2)cn1 ZINC001360358148 1065210401 /nfs/dbraw/zinc/21/04/01/1065210401.db2.gz YOWJHKIQKBNJSP-UHFFFAOYSA-N 0 0 455.603 4.570 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC3CC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001360358177 1065210595 /nfs/dbraw/zinc/21/05/95/1065210595.db2.gz ZKXRGVMPVVTTDD-UHFFFAOYSA-N 0 0 483.657 4.902 20 0 JJADRN C[C@H](CC(=O)OCc1cc(Br)c(Cl)c(Br)c1)c1cnn(C)c1 ZINC001436141708 1065211271 /nfs/dbraw/zinc/21/12/71/1065211271.db2.gz VBRBNNDXAMPEIP-SECBINFHSA-N 0 0 450.558 4.836 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@H]1c1ccc(OC)cc1 ZINC001436141701 1065211421 /nfs/dbraw/zinc/21/14/21/1065211421.db2.gz ALDICHKMEBPCFA-XOROXPFSSA-N 0 0 452.570 4.977 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001360359596 1065212015 /nfs/dbraw/zinc/21/20/15/1065212015.db2.gz HDLLKVHCNZQTGG-TZIWHRDSSA-N 0 0 452.551 4.739 20 0 JJADRN CC(C)(C)c1ccc(COC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)nc1 ZINC001436145358 1065212657 /nfs/dbraw/zinc/21/26/57/1065212657.db2.gz XUHLFOBJBFDSIB-UHFFFAOYSA-N 0 0 459.575 4.857 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC001360360060 1065212703 /nfs/dbraw/zinc/21/27/03/1065212703.db2.gz NHYPRIOVTKXKOJ-UHFFFAOYSA-N 0 0 453.583 4.892 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc[nH]3)n2CCSCC(F)(F)F)c1 ZINC001360360347 1065213880 /nfs/dbraw/zinc/21/38/80/1065213880.db2.gz TWBYZKOYUGWMMG-UHFFFAOYSA-N 0 0 453.534 4.992 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCO[C@H](c4cccc(F)c4)C3)nnc2C(C)(C)C)cn1 ZINC001360360651 1065214275 /nfs/dbraw/zinc/21/42/75/1065214275.db2.gz YDIBCHIMNVJPDR-NRFANRHFSA-N 0 0 453.562 4.523 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCn3ccnc3C2)c1 ZINC001360360645 1065214361 /nfs/dbraw/zinc/21/43/61/1065214361.db2.gz YAJRSRRBUKCJMR-OAQYLSRUSA-N 0 0 450.631 4.749 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)CC2(Cl)Cl)cc1 ZINC001436149131 1065214943 /nfs/dbraw/zinc/21/49/43/1065214943.db2.gz VOOHFYNZOGEUNN-DYESRHJHSA-N 0 0 453.341 4.505 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)s1 ZINC001436149436 1065214962 /nfs/dbraw/zinc/21/49/62/1065214962.db2.gz XBIBPQXUHBKHAY-UHFFFAOYSA-N 0 0 452.557 4.794 20 0 JJADRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001436149451 1065214979 /nfs/dbraw/zinc/21/49/79/1065214979.db2.gz XHZIOUJCMYBPDK-CQSZACIVSA-N 0 0 457.328 4.516 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)CC2(Cl)Cl)cc1 ZINC001436149133 1065215017 /nfs/dbraw/zinc/21/50/17/1065215017.db2.gz VOOHFYNZOGEUNN-UTKZUKDTSA-N 0 0 453.341 4.505 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc(Cl)c1OCCC(C)C ZINC001436149105 1065215089 /nfs/dbraw/zinc/21/50/89/1065215089.db2.gz VGVUFAMJBAHIOA-KRWDZBQOSA-N 0 0 450.938 4.991 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360360961 1065215056 /nfs/dbraw/zinc/21/50/56/1065215056.db2.gz ATPFCWKEQYDTKG-IBGZPJMESA-N 0 0 477.531 4.667 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001360361226 1065215546 /nfs/dbraw/zinc/21/55/46/1065215546.db2.gz JDNPHKKPSOYBQV-LJQANCHMSA-N 0 0 452.521 4.786 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360361888 1065216594 /nfs/dbraw/zinc/21/65/94/1065216594.db2.gz DAFPWQJJSNJNMM-JOCHJYFZSA-N 0 0 483.657 4.950 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)CCOCC(F)(F)C(F)(F)F)CC1(C)C ZINC001436151308 1065216579 /nfs/dbraw/zinc/21/65/79/1065216579.db2.gz HAJXTNQDAJXMIO-UHFFFAOYSA-N 0 0 459.253 4.615 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001436151747 1065216626 /nfs/dbraw/zinc/21/66/26/1065216626.db2.gz LAYYCNJTYUGASD-CQSZACIVSA-N 0 0 453.461 4.538 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CCCc2ccc(Br)s2)n1 ZINC001436152122 1065216655 /nfs/dbraw/zinc/21/66/55/1065216655.db2.gz HQEJKSLNMVMPBE-AWEZNQCLSA-N 0 0 457.415 4.830 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)n1 ZINC001436151128 1065216748 /nfs/dbraw/zinc/21/67/48/1065216748.db2.gz BYDQTJZALMNYHA-QGZVFWFLSA-N 0 0 459.474 4.763 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360362051 1065217123 /nfs/dbraw/zinc/21/71/23/1065217123.db2.gz ISCWZRYOEPWJEU-SLFFLAALSA-N 0 0 460.594 4.766 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)c2cccc(N=S(C)(C)=O)c2)CC1(C)C ZINC001436152430 1065217231 /nfs/dbraw/zinc/21/72/31/1065217231.db2.gz RCXOIHRWBAGUJM-UHFFFAOYSA-N 0 0 450.402 4.683 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1 ZINC001436153661 1065217650 /nfs/dbraw/zinc/21/76/50/1065217650.db2.gz FEJCOUPCTKBTHA-INIZCTEOSA-N 0 0 459.917 4.683 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 ZINC001360362289 1065217673 /nfs/dbraw/zinc/21/76/73/1065217673.db2.gz OMWGHUGYAJMTET-QGZVFWFLSA-N 0 0 476.984 4.501 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360362389 1065217860 /nfs/dbraw/zinc/21/78/60/1065217860.db2.gz PWWGBAPJIRQSIK-HXUWFJFHSA-N 0 0 452.521 4.614 20 0 JJADRN CC(C)N(CC(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21)C(=O)OC(C)(C)C ZINC001436153057 1065217772 /nfs/dbraw/zinc/21/77/72/1065217772.db2.gz ZZDONNMHOZMDPV-UHFFFAOYSA-N 0 0 454.409 4.656 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC001436153850 1065218364 /nfs/dbraw/zinc/21/83/64/1065218364.db2.gz MJROGCJMPINYIO-GOSISDBHSA-N 0 0 456.414 4.583 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001360362940 1065218693 /nfs/dbraw/zinc/21/86/93/1065218693.db2.gz ZPQIEBLPFWCPPV-SLFFLAALSA-N 0 0 460.594 4.624 20 0 JJADRN COc1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc(Br)c1OC ZINC001360363592 1065219283 /nfs/dbraw/zinc/21/92/83/1065219283.db2.gz HFJMETJFYCSFSJ-UHFFFAOYSA-N 0 0 452.198 4.799 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 ZINC001360363636 1065219306 /nfs/dbraw/zinc/21/93/06/1065219306.db2.gz AHXKARFJPGADDY-FQEVSTJZSA-N 0 0 489.686 4.896 20 0 JJADRN C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363671 1065219319 /nfs/dbraw/zinc/21/93/19/1065219319.db2.gz HZYJHLXUSFZVHA-IBGZPJMESA-N 0 0 452.514 4.799 20 0 JJADRN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001436155742 1065219339 /nfs/dbraw/zinc/21/93/39/1065219339.db2.gz NZKIPRQLQRQGQO-UHFFFAOYSA-N 0 0 457.901 4.962 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363797 1065219769 /nfs/dbraw/zinc/21/97/69/1065219769.db2.gz JBUKFXYBHDQOLS-MRXNPFEDSA-N 0 0 459.937 4.972 20 0 JJADRN C[C@H]1CN(c2ccc(C(=O)N(C)Cc3ccc(Br)cc3Cl)cc2)C[C@H](C)O1 ZINC001436157675 1065220406 /nfs/dbraw/zinc/22/04/06/1065220406.db2.gz ULIJGEWQRDTMHM-GJZGRUSLSA-N 0 0 451.792 4.988 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC001436158105 1065220460 /nfs/dbraw/zinc/22/04/60/1065220460.db2.gz WTKVKZXFNHOVRK-IBGZPJMESA-N 0 0 451.792 4.589 20 0 JJADRN O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)cn(C2CC2)c1=O ZINC001436158523 1065220913 /nfs/dbraw/zinc/22/09/13/1065220913.db2.gz MNWLGCFYWXABPH-AWEZNQCLSA-N 0 0 458.139 4.506 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS2)CC1 ZINC001360364138 1065221064 /nfs/dbraw/zinc/22/10/64/1065221064.db2.gz JSOGFVUPGAPHEM-LJQANCHMSA-N 0 0 452.571 4.836 20 0 JJADRN CC(C)OC1CCN(c2nnc(C3CCC3)n2Cc2ccc(I)cc2)CC1 ZINC001360364197 1065221072 /nfs/dbraw/zinc/22/10/72/1065221072.db2.gz IJXOYPFLTGMZAZ-UHFFFAOYSA-N 0 0 480.394 4.592 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001436159300 1065221414 /nfs/dbraw/zinc/22/14/14/1065221414.db2.gz ROHCQFFLTYPLNC-UHFFFAOYSA-N 0 0 451.903 4.528 20 0 JJADRN Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1Br ZINC001436159918 1065221595 /nfs/dbraw/zinc/22/15/95/1065221595.db2.gz AGMLEURRPOQTKM-HNNXBMFYSA-N 0 0 456.167 4.990 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2cc(Br)cnc2C2CC2)c1Br ZINC001436160487 1065221964 /nfs/dbraw/zinc/22/19/64/1065221964.db2.gz BDWJKIBHMDOLRR-UHFFFAOYSA-N 0 0 454.118 4.523 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1cc(-n3cccn3)ccc1C)N2C(=O)OC(C)(C)C ZINC001436161180 1065222087 /nfs/dbraw/zinc/22/20/87/1065222087.db2.gz OFEUBLDGINYVPV-QFIPXVFZSA-N 0 0 450.514 4.933 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Br)cc2)CC1 ZINC001360364979 1065222674 /nfs/dbraw/zinc/22/26/74/1065222674.db2.gz PVOJLRWJHKJZPZ-NRFANRHFSA-N 0 0 477.447 4.919 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001436161955 1065222588 /nfs/dbraw/zinc/22/25/88/1065222588.db2.gz SUCHQJRBTUKKEO-OGHNNQOOSA-N 0 0 457.279 4.826 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001360365073 1065223189 /nfs/dbraw/zinc/22/31/89/1065223189.db2.gz XTSVSCDJKCRGRN-QGZVFWFLSA-N 0 0 473.980 4.994 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360365074 1065223323 /nfs/dbraw/zinc/22/33/23/1065223323.db2.gz XUYHJBFLWFSDRT-LJQANCHMSA-N 0 0 494.640 4.800 20 0 JJADRN CN(CCC(=O)N(Cc1cccc(Br)c1)CC1CC1)C(=O)OCc1ccccc1 ZINC001436164073 1065223657 /nfs/dbraw/zinc/22/36/57/1065223657.db2.gz HPBPWULESRNGPN-UHFFFAOYSA-N 0 0 459.384 4.846 20 0 JJADRN CC(C)[C@H](C(=O)N(Cc1cccc(Br)c1)CC1CC1)N1Cc2ccccc2C1=O ZINC001436164132 1065223905 /nfs/dbraw/zinc/22/39/05/1065223905.db2.gz JGOZGKYVHLIDKU-JOCHJYFZSA-N 0 0 455.396 4.868 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001360365534 1065223810 /nfs/dbraw/zinc/22/38/10/1065223810.db2.gz WWOJTZFIFMCRTB-QFIPXVFZSA-N 0 0 456.631 4.539 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1c(Cl)ccc(F)c1Cl ZINC001436165339 1065224306 /nfs/dbraw/zinc/22/43/06/1065224306.db2.gz OXYOSOBZQMDXMZ-UHFFFAOYSA-N 0 0 451.064 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCc2cccc(Br)c2)CC[C@H]1C1CC1 ZINC001360366053 1065224409 /nfs/dbraw/zinc/22/44/09/1065224409.db2.gz JKNVVLFNQZGYIS-OALUTQOASA-N 0 0 451.405 4.676 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC001436165892 1065224801 /nfs/dbraw/zinc/22/48/01/1065224801.db2.gz RCWCLUNMTNZMGV-DEOSSOPVSA-N 0 0 452.595 4.976 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC001436166747 1065224855 /nfs/dbraw/zinc/22/48/55/1065224855.db2.gz RVPAXRHCKHDRKM-UHFFFAOYSA-N 0 0 455.321 4.806 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)CCSc1ccc(Br)cc1 ZINC001436165873 1065224889 /nfs/dbraw/zinc/22/48/89/1065224889.db2.gz QEXUPEYTUJBGLG-QGZVFWFLSA-N 0 0 457.434 4.791 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360366951 1065225571 /nfs/dbraw/zinc/22/55/71/1065225571.db2.gz BKCNPSVHTNZHEC-NOTUOJBMSA-N 0 0 476.706 4.922 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360366786 1065225594 /nfs/dbraw/zinc/22/55/94/1065225594.db2.gz JJDHFAQKIHBQMB-SANMLTNESA-N 0 0 476.612 4.872 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CCCS2)CCO1 ZINC001360366993 1065225637 /nfs/dbraw/zinc/22/56/37/1065225637.db2.gz CBLMEVFIIGGKHV-NSXLHWASSA-N 0 0 495.089 4.987 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001436167525 1065225890 /nfs/dbraw/zinc/22/58/90/1065225890.db2.gz KHZCMIJGIAPVPO-ZLNRFVROSA-N 0 0 458.986 4.622 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001360367369 1065226056 /nfs/dbraw/zinc/22/60/56/1065226056.db2.gz SVDMVTHSGUQHIR-QHCPKHFHSA-N 0 0 475.628 4.986 20 0 JJADRN Cc1cc([C@H](OC(=O)CCNC(=O)C2CCCCC2)C(F)(F)F)ccc1Br ZINC001436168038 1065226280 /nfs/dbraw/zinc/22/62/80/1065226280.db2.gz IXNHZYYLNIVBCV-KRWDZBQOSA-N 0 0 450.295 4.991 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)c1 ZINC001436168310 1065226531 /nfs/dbraw/zinc/22/65/31/1065226531.db2.gz LMCRDICWVBSJJQ-UHFFFAOYSA-N 0 0 455.407 4.829 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)o1 ZINC001436169654 1065226972 /nfs/dbraw/zinc/22/69/72/1065226972.db2.gz NVPWVOIKGYBFOH-DRSNIGMVSA-N 0 0 458.555 4.631 20 0 JJADRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)CCCSc1ccc(Br)cc1 ZINC001436170466 1065227400 /nfs/dbraw/zinc/22/74/00/1065227400.db2.gz LPGWYWQKSKZLEQ-KRWDZBQOSA-N 0 0 457.434 4.837 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1Cc1sccc1C ZINC001545895858 1065227476 /nfs/dbraw/zinc/22/74/76/1065227476.db2.gz GZGOGTAPMOLAJH-QGZVFWFLSA-N 0 0 472.684 4.764 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001436170386 1065227572 /nfs/dbraw/zinc/22/75/72/1065227572.db2.gz XRROCBDICTWFPU-UHFFFAOYSA-N 0 0 455.407 4.875 20 0 JJADRN CCOC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccc(Br)c(C)c2)C(F)(F)F)C1 ZINC001436169766 1065227590 /nfs/dbraw/zinc/22/75/90/1065227590.db2.gz OSWVOFXCLLSUGX-ZFWWWQNUSA-N 0 0 452.267 4.773 20 0 JJADRN CN(C(=O)c1ccc(I)cc1)c1ncc2c(n1)-c1ccccc1SC2 ZINC001436171233 1065228072 /nfs/dbraw/zinc/22/80/72/1065228072.db2.gz GHKNYAZLXCAZLD-UHFFFAOYSA-N 0 0 459.312 4.631 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 ZINC001436171726 1065228093 /nfs/dbraw/zinc/22/80/93/1065228093.db2.gz VLVMIMSKTXVWPS-FQEVSTJZSA-N 0 0 454.596 4.538 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H](C)c3nc4ccccc4s3)CC2=O)ccc1Br ZINC001360368955 1065228392 /nfs/dbraw/zinc/22/83/92/1065228392.db2.gz SWUYKOPCQNTIQC-ZIAGYGMSSA-N 0 0 458.381 4.598 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C(=O)OCc1ccccc1 ZINC001360369162 1065228998 /nfs/dbraw/zinc/22/89/98/1065228998.db2.gz XMZQKQRNCDHNFS-IBGZPJMESA-N 0 0 452.776 4.919 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC001436173836 1065229079 /nfs/dbraw/zinc/22/90/79/1065229079.db2.gz IJKJYPFQUYQOGE-HOTGVXAUSA-N 0 0 459.575 4.709 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cncc(C(F)(F)F)c2)cc1 ZINC001436175598 1065229752 /nfs/dbraw/zinc/22/97/52/1065229752.db2.gz LFDNHCIHRFDMTQ-HOTGVXAUSA-N 0 0 450.457 4.626 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3cc(F)c(F)cc3Br)cc12 ZINC001436174406 1065229838 /nfs/dbraw/zinc/22/98/38/1065229838.db2.gz JLTKPEYAZJLEEM-UHFFFAOYSA-N 0 0 457.278 4.700 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CSCCS2)CCO1 ZINC001360370544 1065229982 /nfs/dbraw/zinc/22/99/82/1065229982.db2.gz NNVRDRNHWOSRHY-FGZHOGPDSA-N 0 0 490.739 4.721 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC2(C)C)CCO1 ZINC001360370709 1065230035 /nfs/dbraw/zinc/23/00/35/1065230035.db2.gz QGFRFUDDGDPQBQ-RDJZCZTQSA-N 0 0 453.414 4.928 20 0 JJADRN COC1(CNC(=O)COc2ccccc2OCC(F)(F)F)CCC(c2ccccc2)CC1 ZINC001436175683 1065230220 /nfs/dbraw/zinc/23/02/20/1065230220.db2.gz CBRVMIHANBVXTG-UHFFFAOYSA-N 0 0 451.485 4.866 20 0 JJADRN COC1(CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCC(c2ccccc2)CC1 ZINC001436177386 1065230895 /nfs/dbraw/zinc/23/08/95/1065230895.db2.gz JUKFYSXEAHTEPX-BPLQSXGDSA-N 0 0 450.579 4.504 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)c3cc(Br)cc(Br)c3)ccc12 ZINC001436177928 1065231320 /nfs/dbraw/zinc/23/13/20/1065231320.db2.gz XQKMVUXCKBYSDZ-UHFFFAOYSA-N 0 0 451.114 4.903 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cscc2C(F)(F)F)CCO1 ZINC001360371883 1065231706 /nfs/dbraw/zinc/23/17/06/1065231706.db2.gz HWXHZYSOLHKWFC-MRXNPFEDSA-N 0 0 460.566 4.626 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c(Cl)c1 ZINC001436178052 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492.611 4.745 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1 ZINC001360376420 1065234377 /nfs/dbraw/zinc/23/43/77/1065234377.db2.gz CUDZIVHVOCRJFT-AWEZNQCLSA-N 0 0 459.479 4.916 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360376342 1065234452 /nfs/dbraw/zinc/23/44/52/1065234452.db2.gz ATBAURLBORUNPS-UHFFFAOYSA-N 0 0 456.587 4.732 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001436183904 1065235634 /nfs/dbraw/zinc/23/56/34/1065235634.db2.gz VXOQLHNSZCNDIK-INIZCTEOSA-N 0 0 456.306 4.879 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360376702 1065236194 /nfs/dbraw/zinc/23/61/94/1065236194.db2.gz MELHMCICGAFVQN-JOCHJYFZSA-N 0 0 482.467 4.882 20 0 JJADRN Cc1c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)cnn1-c1ccccc1Cl ZINC001436185757 1065236949 /nfs/dbraw/zinc/23/69/49/1065236949.db2.gz IIIDQRFXACVCAG-IBGZPJMESA-N 0 0 458.990 4.697 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCC[C@H]1COC(=O)N(C)C ZINC001436186089 1065236962 /nfs/dbraw/zinc/23/69/62/1065236962.db2.gz KWBJZOAOXIBFDN-INIZCTEOSA-N 0 0 455.502 4.830 20 0 JJADRN CSCc1ccc(CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 ZINC001436185321 1065236990 /nfs/dbraw/zinc/23/69/90/1065236990.db2.gz WCHJQYUURVCLPF-UHFFFAOYSA-N 0 0 452.399 4.673 20 0 JJADRN O=C(CCCOc1cccc(Cl)c1Cl)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001436187092 1065237639 /nfs/dbraw/zinc/23/76/39/1065237639.db2.gz MXXZEXZEJSRUAC-UHFFFAOYSA-N 0 0 458.773 4.555 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001436188428 1065238574 /nfs/dbraw/zinc/23/85/74/1065238574.db2.gz FBPXKPYCMOMKRZ-NFBKMPQASA-N 0 0 451.567 4.524 20 0 JJADRN Cc1c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)nnn1-c1cccc(Br)c1 ZINC001436188013 1065238746 /nfs/dbraw/zinc/23/87/46/1065238746.db2.gz CSSWJOBABJGAEU-UHFFFAOYSA-N 0 0 455.690 4.513 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccc(Br)s1 ZINC001436188770 1065239076 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4.776 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC001436191746 1065241420 /nfs/dbraw/zinc/24/14/20/1065241420.db2.gz UWZHQERURUTMAJ-UHFFFAOYSA-N 0 0 457.573 4.783 20 0 JJADRN CC(C)OCCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360380335 1065241460 /nfs/dbraw/zinc/24/14/60/1065241460.db2.gz SXDLBSYLRDUVAV-OAQYLSRUSA-N 0 0 490.530 4.537 20 0 JJADRN CC(C)OCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360380296 1065241470 /nfs/dbraw/zinc/24/14/70/1065241470.db2.gz SCUANBBAUODKNV-SFHVURJKSA-N 0 0 480.638 4.656 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001360380072 1065241511 /nfs/dbraw/zinc/24/15/11/1065241511.db2.gz MGQSHWDMFAEWNI-HSZRJFAPSA-N 0 0 484.645 4.515 20 0 JJADRN COc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc2c1O[C@H](C)C2 ZINC001436192946 1065241947 /nfs/dbraw/zinc/24/19/47/1065241947.db2.gz YFNCMHIUZGRKBU-CYBMUJFWSA-N 0 0 454.876 4.653 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC001436193146 1065241969 /nfs/dbraw/zinc/24/19/69/1065241969.db2.gz ZWUGHCPYPFVJIZ-HKUYNNGSSA-N 0 0 459.587 4.736 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2ccc(Br)cc2C)c(C)cc1Br ZINC001436192627 1065241992 /nfs/dbraw/zinc/24/19/92/1065241992.db2.gz RVJKAKQASSPCKS-UHFFFAOYSA-N 0 0 455.146 4.796 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3nnn(Cc4ccc(OC)cc4)c3C)sc2C1 ZINC001436192519 1065242038 /nfs/dbraw/zinc/24/20/38/1065242038.db2.gz DINHMLDGRXUVTB-QGZVFWFLSA-N 0 0 453.612 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001545896013 1065242208 /nfs/dbraw/zinc/24/22/08/1065242208.db2.gz JLDCJDABZIUNTB-XMMPIXPASA-N 0 0 477.600 4.752 20 0 JJADRN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC001436193255 1065242415 /nfs/dbraw/zinc/24/24/15/1065242415.db2.gz KNGKFPZGLVNXIO-UHFFFAOYSA-N 0 0 459.905 4.687 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360382255 1065243100 /nfs/dbraw/zinc/24/31/00/1065243100.db2.gz KWKDHWIYDBSLPX-SFHVURJKSA-N 0 0 451.011 4.719 20 0 JJADRN COc1ccc(C(=O)N(CC(C)C)c2ccccc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001436196129 1065243411 /nfs/dbraw/zinc/24/34/11/1065243411.db2.gz ZCZHEGJMLZXOKC-DENIHFKCSA-N 0 0 458.624 4.855 20 0 JJADRN COC(=O)Nc1cccc(CNC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)c1 ZINC001436196874 1065244091 /nfs/dbraw/zinc/24/40/91/1065244091.db2.gz ZQNZGCXPDNGICA-UHFFFAOYSA-N 0 0 456.502 4.656 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1 ZINC001436196754 1065244110 /nfs/dbraw/zinc/24/41/10/1065244110.db2.gz YJSYHPRKVZINED-OAQYLSRUSA-N 0 0 459.587 4.580 20 0 JJADRN COCCC[C@@H](CNC(=O)c1cc(Br)c(C)nc1OC)c1ccc(Cl)cc1 ZINC001436196952 1065244140 /nfs/dbraw/zinc/24/41/40/1065244140.db2.gz AOYKSVIFRGUNEG-HNNXBMFYSA-N 0 0 455.780 4.755 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360382380 1065244206 /nfs/dbraw/zinc/24/42/06/1065244206.db2.gz NULZWXYSVLILMN-NVQXNPDNSA-N 0 0 472.630 4.637 20 0 JJADRN CC(C)OCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001360382636 1065244593 /nfs/dbraw/zinc/24/45/93/1065244593.db2.gz WNUXUUZFALNYDL-UHFFFAOYSA-N 0 0 494.061 4.508 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1=O ZINC001436197571 1065244806 /nfs/dbraw/zinc/24/48/06/1065244806.db2.gz WGCDGKXVYRAXDG-IBGZPJMESA-N 0 0 459.359 4.548 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 ZINC001360382764 1065244835 /nfs/dbraw/zinc/24/48/35/1065244835.db2.gz AUPVQYYKBLDKEL-SFTDATJTSA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360383169 1065245330 /nfs/dbraw/zinc/24/53/30/1065245330.db2.gz LXVMBRMTYCVHNC-IFMALSPDSA-N 0 0 458.578 4.573 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001360383628 1065246162 /nfs/dbraw/zinc/24/61/62/1065246162.db2.gz ZMPBZYZJSQVMSV-SJLPKXTDSA-N 0 0 450.425 4.630 20 0 JJADRN 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ZINC001360385215 1065247335 /nfs/dbraw/zinc/24/73/35/1065247335.db2.gz AFLGGENXUKXSNP-JOCHJYFZSA-N 0 0 481.410 4.669 20 0 JJADRN CCC1(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCN(C(=O)c2ccccc2)CC1 ZINC001360385149 1065247524 /nfs/dbraw/zinc/24/75/24/1065247524.db2.gz OZERVAVDPSVTCU-UHFFFAOYSA-N 0 0 457.574 4.974 20 0 JJADRN Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](C)C3)nnn1-c1ccccc1 ZINC001436201352 1065248085 /nfs/dbraw/zinc/24/80/85/1065248085.db2.gz JTPHJXSTSKNFKP-AWEZNQCLSA-N 0 0 452.580 4.970 20 0 JJADRN O=C(Nc1ncc(-c2ccccn2)s1)c1c(F)ccc(I)c1Cl ZINC001436202677 1065248367 /nfs/dbraw/zinc/24/83/67/1065248367.db2.gz QAJNUMRDZKUSAZ-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN CC(C)OCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001360385534 1065248508 /nfs/dbraw/zinc/24/85/08/1065248508.db2.gz FXXCKQODCCLSIL-OAQYLSRUSA-N 0 0 476.687 4.721 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)CC1 ZINC001360385563 1065248684 /nfs/dbraw/zinc/24/86/84/1065248684.db2.gz 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CC(C)OCCCn1c(Cc2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001360390316 1065254900 /nfs/dbraw/zinc/25/49/00/1065254900.db2.gz IXLFKDOWVCGHSK-GOSISDBHSA-N 0 0 484.442 4.965 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360390330 1065254940 /nfs/dbraw/zinc/25/49/40/1065254940.db2.gz JJMNJQGSDSRVNC-RBUKOAKNSA-N 0 0 485.620 4.689 20 0 JJADRN O=C(NCCn1ccc2cc(Cl)ccc21)c1cnn(Cc2ccccc2)c1Br ZINC001436211663 1065254882 /nfs/dbraw/zinc/25/48/82/1065254882.db2.gz IEIMWZMDRZZNSF-UHFFFAOYSA-N 0 0 457.759 4.732 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)c1 ZINC001436211560 1065254890 /nfs/dbraw/zinc/25/48/90/1065254890.db2.gz BYWASFLOZGTHPL-XMSQKQJNSA-N 0 0 459.011 4.699 20 0 JJADRN CC(C)OCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360390727 1065255230 /nfs/dbraw/zinc/25/52/30/1065255230.db2.gz PJXRWFGZCLRKTR-CTNGQTDRSA-N 0 0 461.651 4.587 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3cccc4cc(Br)cnc43)CC2=O)cc1 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O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC001436217637 1065259117 /nfs/dbraw/zinc/25/91/17/1065259117.db2.gz BSYYWGVEBNVRIW-UHFFFAOYSA-N 0 0 453.873 4.823 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001360394959 1065259115 /nfs/dbraw/zinc/25/91/15/1065259115.db2.gz MYHNKJDGBFJITM-UHFFFAOYSA-N 0 0 456.325 4.590 20 0 JJADRN Cc1c(C(=O)Nc2cccc(Oc3cccnn3)c2)cnn1-c1ccc(Br)cc1 ZINC001360395176 1065259470 /nfs/dbraw/zinc/25/94/70/1065259470.db2.gz VIBJTAOUHZUHHK-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001436218467 1065259630 /nfs/dbraw/zinc/25/96/30/1065259630.db2.gz DAKOFIJFJDSXNS-UHFFFAOYSA-N 0 0 453.848 4.922 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)c2)o1 ZINC001436219149 1065260189 /nfs/dbraw/zinc/26/01/89/1065260189.db2.gz IUKAUNDYYFKVHK-IBGZPJMESA-N 0 0 459.468 4.964 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001436219447 1065260682 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UHGDVLKPANOGTE-GOSISDBHSA-N 0 0 495.411 4.761 20 0 JJADRN O=C(Nc1cc(Br)ccn1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001436221850 1065262393 /nfs/dbraw/zinc/26/23/93/1065262393.db2.gz GXKDCCMZFQLBPI-UHFFFAOYSA-N 0 0 456.683 4.550 20 0 JJADRN Cc1cc(C(=O)OCc2cn(-c3ccccc3Br)nn2)sc1Br ZINC001436222554 1065262866 /nfs/dbraw/zinc/26/28/66/1065262866.db2.gz MLMDKZNXXAZQAC-UHFFFAOYSA-N 0 0 457.147 4.519 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)Cc3ccccc3OC(F)F)c2F)C1 ZINC001436222336 1065262890 /nfs/dbraw/zinc/26/28/90/1065262890.db2.gz KTIYLMNWTYQRFV-UHFFFAOYSA-N 0 0 450.457 4.902 20 0 JJADRN CC(C)OCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001360398568 1065263219 /nfs/dbraw/zinc/26/32/19/1065263219.db2.gz FDXGBWHMLDAKCQ-UHFFFAOYSA-N 0 0 474.049 4.689 20 0 JJADRN CS(=O)(=O)c1cc(CNC(=O)c2cccc(SC(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC001436222680 1065263469 /nfs/dbraw/zinc/26/34/69/1065263469.db2.gz VIOAARBWXZSNJX-UHFFFAOYSA-N 0 0 457.417 4.651 20 0 JJADRN CS(=O)(=O)c1cc(CNC(=O)c2ccccc2CCC(F)(F)F)cc(C(F)(F)F)c1 ZINC001436222691 1065263514 /nfs/dbraw/zinc/26/35/14/1065263514.db2.gz VMSYHXZCIWHKBM-UHFFFAOYSA-N 0 0 453.404 4.534 20 0 JJADRN COCCOc1cncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C(=O)OC)c1 ZINC001360398202 1065263408 /nfs/dbraw/zinc/26/34/08/1065263408.db2.gz NBPJYISBWKMXHJ-UHFFFAOYSA-N 0 0 456.882 4.591 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001360399247 1065264302 /nfs/dbraw/zinc/26/43/02/1065264302.db2.gz FLYHUPGCLKXKRZ-RHSMWYFYSA-N 0 0 451.539 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)o2)CC1 ZINC001360401420 1065265045 /nfs/dbraw/zinc/26/50/45/1065265045.db2.gz ZPCKKZWSPASRTA-SFHVURJKSA-N 0 0 457.546 4.633 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC001436226079 1065265044 /nfs/dbraw/zinc/26/50/44/1065265044.db2.gz DOROXSYDYWORBL-ICSRJNTNSA-N 0 0 454.533 4.574 20 0 JJADRN Cc1nn(C)cc1[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001360401856 1065265640 /nfs/dbraw/zinc/26/56/40/1065265640.db2.gz FRQYJRDFMUDCAR-HNNXBMFYSA-N 0 0 453.999 4.749 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC001436227301 1065266258 /nfs/dbraw/zinc/26/62/58/1065266258.db2.gz FPZSNCJSQAVIIV-FQEVSTJZSA-N 0 0 458.400 4.843 20 0 JJADRN COc1cc(OC)c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1OC ZINC001436227873 1065266270 /nfs/dbraw/zinc/26/62/70/1065266270.db2.gz OAAMGJRCJFQXTQ-NRFANRHFSA-N 0 0 453.457 4.629 20 0 JJADRN CCCCc1nc(-c2ccc(OC(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)cc2)no1 ZINC001360403489 1065267071 /nfs/dbraw/zinc/26/70/71/1065267071.db2.gz YCMAICDWAPUXCL-UHFFFAOYSA-N 0 0 454.426 4.592 20 0 JJADRN CC(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001360403717 1065267122 /nfs/dbraw/zinc/26/71/22/1065267122.db2.gz WHNKNOUUHGHRNR-SFTDATJTSA-N 0 0 461.651 4.610 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001360403299 1065267193 /nfs/dbraw/zinc/26/71/93/1065267193.db2.gz SDBWIFUJIDIGDS-BVSLBCMMSA-N 0 0 475.678 4.833 20 0 JJADRN CC(C)OCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360404205 1065267718 /nfs/dbraw/zinc/26/77/18/1065267718.db2.gz SGBNOUMAHRPAMD-KRWDZBQOSA-N 0 0 480.560 4.548 20 0 JJADRN COCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001436230154 1065268026 /nfs/dbraw/zinc/26/80/26/1065268026.db2.gz RGHHQLZQWAFJFZ-KUHUBIRLSA-N 0 0 455.769 4.894 20 0 JJADRN Cc1cc(C(F)F)n(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)n1 ZINC001436230289 1065268078 /nfs/dbraw/zinc/26/80/78/1065268078.db2.gz PIUNGFOUTKPOHD-INIZCTEOSA-N 0 0 452.855 4.524 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001436229761 1065268112 /nfs/dbraw/zinc/26/81/12/1065268112.db2.gz LCCOWALLOZGPQX-QUCCMNQESA-N 0 0 450.023 4.771 20 0 JJADRN CC(C)OCCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001360405858 1065268145 /nfs/dbraw/zinc/26/81/45/1065268145.db2.gz DWGWLSKTAOEOOO-ZEQRLZLVSA-N 0 0 497.684 4.714 20 0 JJADRN CCCCCn1nc(C(=O)N2CCc3ccc(Br)cc3C2)c2ccccc2c1=O ZINC001436230982 1065268658 /nfs/dbraw/zinc/26/86/58/1065268658.db2.gz ATYRJZRBMOEFLA-UHFFFAOYSA-N 0 0 454.368 4.548 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)[C@@H](C)CO1 ZINC001360406198 1065268627 /nfs/dbraw/zinc/26/86/27/1065268627.db2.gz UJMKPSONQBXICS-PTJQVGQKSA-N 0 0 458.602 4.820 20 0 JJADRN CC(C)OCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001360406267 1065268793 /nfs/dbraw/zinc/26/87/93/1065268793.db2.gz MKQAHMYAGBUZCL-FQEVSTJZSA-N 0 0 491.455 4.696 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)[C@H](C)CO1 ZINC001360406199 1065268810 /nfs/dbraw/zinc/26/88/10/1065268810.db2.gz UJMKPSONQBXICS-UADAULAISA-N 0 0 458.602 4.820 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001360407014 1065269710 /nfs/dbraw/zinc/26/97/10/1065269710.db2.gz DFKYEOPSKPDMEX-CEXWTWQISA-N 0 0 475.659 4.877 20 0 JJADRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCc2ccc(Br)cc2C1 ZINC001436232069 1065269712 /nfs/dbraw/zinc/26/97/12/1065269712.db2.gz XKOCBHSIXJOIFE-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN CC(C)c1nn(C)c2sc(C(=O)Nc3ccc4c(c3)N(CC(F)F)C(=O)CS4)cc12 ZINC001436232277 1065269726 /nfs/dbraw/zinc/26/97/26/1065269726.db2.gz LWICKNIZDVTYJV-UHFFFAOYSA-N 0 0 450.536 4.714 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC001436232672 1065269824 /nfs/dbraw/zinc/26/98/24/1065269824.db2.gz PTOCMZJXLWQXGT-LFVRLGFBSA-N 0 0 459.468 4.748 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1sc(Cl)nc1C(F)(F)F ZINC001436232230 1065269834 /nfs/dbraw/zinc/26/98/34/1065269834.db2.gz LNKMBJUXBQPMLB-UHFFFAOYSA-N 0 0 457.833 4.771 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001360407185 1065269894 /nfs/dbraw/zinc/26/98/94/1065269894.db2.gz JJFUEMJEXQGGIU-FCJDFRRUSA-N 0 0 456.631 4.588 20 0 JJADRN CC(=O)CCc1ccc(OCCC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 ZINC001436233562 1065270213 /nfs/dbraw/zinc/27/02/13/1065270213.db2.gz DTTJVNSTRCBBGA-UHFFFAOYSA-N 0 0 454.567 4.949 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC001360408052 1065270824 /nfs/dbraw/zinc/27/08/24/1065270824.db2.gz GGBNKMSDNVCEPY-JOCHJYFZSA-N 0 0 458.480 4.593 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)nc1 ZINC001436234849 1065270902 /nfs/dbraw/zinc/27/09/02/1065270902.db2.gz IFGWPTDKKMRZIV-OAQYLSRUSA-N 0 0 454.324 4.921 20 0 JJADRN Cc1ccc(CC(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c(Br)c1 ZINC001436234990 1065270957 /nfs/dbraw/zinc/27/09/57/1065270957.db2.gz YUUMTICIJRAADK-UHFFFAOYSA-N 0 0 455.324 4.643 20 0 JJADRN Cc1cc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC001436236025 1065271090 /nfs/dbraw/zinc/27/10/90/1065271090.db2.gz PYZDMGJRZVAPMK-OAQYLSRUSA-N 0 0 451.567 4.511 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)Cc2cccc(OCCCOc3ccccc3)c2)c(F)c1F ZINC001436235708 1065271109 /nfs/dbraw/zinc/27/11/09/1065271109.db2.gz PWGBIHDXLCUOMH-UHFFFAOYSA-N 0 0 455.457 4.919 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)OCc1cc(F)c(C)cc1F ZINC001436243403 1065272480 /nfs/dbraw/zinc/27/24/80/1065272480.db2.gz NZVZVSVQRSJJBI-UHFFFAOYSA-N 0 0 452.622 4.897 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC001436244459 1065273003 /nfs/dbraw/zinc/27/30/03/1065273003.db2.gz AIFICNFWJQJRSS-AWEZNQCLSA-N 0 0 452.511 4.571 20 0 JJADRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3ccc4cc(Br)ccc4c3)c2)C1=O ZINC001436244759 1065273062 /nfs/dbraw/zinc/27/30/62/1065273062.db2.gz DPOZZDLTYANJOP-LJQANCHMSA-N 0 0 452.308 4.689 20 0 JJADRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)c2)C1=O ZINC001436246305 1065273407 /nfs/dbraw/zinc/27/34/07/1065273407.db2.gz NEVMVDLXZNENBJ-HXUWFJFHSA-N 0 0 451.429 4.844 20 0 JJADRN Cc1c(NC(=O)CCc2cccc(OCc3ccccc3)c2)cccc1N1C(=O)N[C@H](C)C1=O ZINC001436246548 1065273446 /nfs/dbraw/zinc/27/34/46/1065273446.db2.gz PBAAUPHPZZCJHM-LJQANCHMSA-N 0 0 457.530 4.590 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001360411381 1065274442 /nfs/dbraw/zinc/27/44/42/1065274442.db2.gz MJDQXSDEXKCNIK-HXUWFJFHSA-N 0 0 450.476 4.579 20 0 JJADRN COCCOCc1ccc(C(=O)O[C@@H](C)c2ccc(F)c(I)c2)cc1 ZINC001436248659 1065274557 /nfs/dbraw/zinc/27/45/57/1065274557.db2.gz BBETZVVUVYTOEX-ZDUSSCGKSA-N 0 0 458.267 4.511 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(CC(C)(C)C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360410395 1065274559 /nfs/dbraw/zinc/27/45/59/1065274559.db2.gz MGUUDQSQMYYYNA-RTBURBONSA-N 0 0 459.601 4.707 20 0 JJADRN COc1ccc(C(=O)N[C@H](C)CCC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001360412015 1065275045 /nfs/dbraw/zinc/27/50/45/1065275045.db2.gz SRGQFBYYKANOTO-LJQANCHMSA-N 0 0 450.645 4.739 20 0 JJADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2SCC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC001436250894 1065275173 /nfs/dbraw/zinc/27/51/73/1065275173.db2.gz WZHSXQYPBOTXDZ-ZWKOTPCHSA-N 0 0 454.592 4.855 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1coc(-c2ccc(C)cc2)n1 ZINC001545896427 1065275185 /nfs/dbraw/zinc/27/51/85/1065275185.db2.gz RZKGFTDIKSJKIV-HHHXNRCGSA-N 0 0 494.640 4.604 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc(Br)ccc1OC(F)F ZINC001360412358 1065275852 /nfs/dbraw/zinc/27/58/52/1065275852.db2.gz QGYNGOQWLZLMTD-UHFFFAOYSA-N 0 0 458.646 4.684 20 0 JJADRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(OC(F)F)c(Br)c1 ZINC001360412353 1065275865 /nfs/dbraw/zinc/27/58/65/1065275865.db2.gz QCKAWUKHZIXPRD-UHFFFAOYSA-N 0 0 458.646 4.684 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)c1 ZINC001436255696 1065276286 /nfs/dbraw/zinc/27/62/86/1065276286.db2.gz QTPKZUBOLAHOGW-DOTOQJQBSA-N 0 0 459.365 4.876 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC001360414044 1065276507 /nfs/dbraw/zinc/27/65/07/1065276507.db2.gz LLIHBJCTQWNXKU-JOCHJYFZSA-N 0 0 456.633 4.799 20 0 JJADRN CC(C)SCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCOCC2)C1 ZINC001360414351 1065277016 /nfs/dbraw/zinc/27/70/16/1065277016.db2.gz FHRDDLIBAZVQKM-SFHVURJKSA-N 0 0 481.062 4.599 20 0 JJADRN CC(C)SCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001360414585 1065277050 /nfs/dbraw/zinc/27/70/50/1065277050.db2.gz IXPDDDKPTUIDNM-MRXNPFEDSA-N 0 0 474.021 4.600 20 0 JJADRN CC(C)SCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001360414955 1065277402 /nfs/dbraw/zinc/27/74/02/1065277402.db2.gz NADCZEWEBIJDFH-UYAOXDASSA-N 0 0 462.635 4.952 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360415401 1065277880 /nfs/dbraw/zinc/27/78/80/1065277880.db2.gz UDRMNJJPYQKZDM-ZDUSSCGKSA-N 0 0 480.398 4.966 20 0 JJADRN COCC[C@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)c1cccc(C(F)(F)F)c1 ZINC001436258241 1065278282 /nfs/dbraw/zinc/27/82/82/1065278282.db2.gz BHXDKXOMDMTFKJ-SFHVURJKSA-N 0 0 453.411 4.985 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001436258220 1065278292 /nfs/dbraw/zinc/27/82/92/1065278292.db2.gz XYNBJGUTXOLVAL-ZRCGQRJVSA-N 0 0 452.501 4.936 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001436258756 1065278302 /nfs/dbraw/zinc/27/83/02/1065278302.db2.gz PPTIIQOAYQBCNJ-YLJYHZDGSA-N 0 0 454.324 4.682 20 0 JJADRN COCC[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001436260398 1065278545 /nfs/dbraw/zinc/27/85/45/1065278545.db2.gz VGPWIBJEKKKKPP-QGZVFWFLSA-N 0 0 457.290 4.789 20 0 JJADRN Cc1cc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C(N)=O)cc1F ZINC001360416273 1065278653 /nfs/dbraw/zinc/27/86/53/1065278653.db2.gz VJGPARWDACUKID-UHFFFAOYSA-N 0 0 451.285 4.551 20 0 JJADRN CCn1ncc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1Br ZINC001436260736 1065279082 /nfs/dbraw/zinc/27/90/82/1065279082.db2.gz BBIFDHKBLZZUCP-KRWDZBQOSA-N 0 0 455.381 4.989 20 0 JJADRN CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001360416716 1065279906 /nfs/dbraw/zinc/27/99/06/1065279906.db2.gz JGKWTBUSNGBMKW-UHFFFAOYSA-N 0 0 490.048 4.848 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2cc(N3CCOCC3)ccc2Br)cc(Cl)n1 ZINC001436264732 1065280015 /nfs/dbraw/zinc/28/00/15/1065280015.db2.gz BFAHSQONFCCDTG-UHFFFAOYSA-N 0 0 452.780 4.884 20 0 JJADRN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ns3)nnc2-c2ccc(C)cc2)cc1 ZINC001436267132 1065280442 /nfs/dbraw/zinc/28/04/42/1065280442.db2.gz PEUPZYYQBXXDDU-UHFFFAOYSA-N 0 0 451.577 4.747 20 0 JJADRN CC(C)(C(=O)Nc1cc(N2CCOCC2)ccc1Br)c1ccc(Cl)cc1F ZINC001436265857 1065280457 /nfs/dbraw/zinc/28/04/57/1065280457.db2.gz ICKPMHIGWDNJDW-UHFFFAOYSA-N 0 0 455.755 4.995 20 0 JJADRN Cc1cc(C(F)F)oc1C(=O)Nc1nc(C(F)(F)F)c(I)s1 ZINC001436265772 1065280557 /nfs/dbraw/zinc/28/05/57/1065280557.db2.gz GALBDMRFMJKROT-UHFFFAOYSA-N 0 0 452.142 4.858 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)N(C(=O)OCc2ccccc2)C1 ZINC001436265633 1065280577 /nfs/dbraw/zinc/28/05/77/1065280577.db2.gz OSFDNWFGZCNKMU-ZKGSSEMHSA-N 0 0 450.579 4.503 20 0 JJADRN CC(C)SCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001360417276 1065280937 /nfs/dbraw/zinc/28/09/37/1065280937.db2.gz VCEAETZQCIFSHH-QZTJIDSGSA-N 0 0 466.717 4.642 20 0 JJADRN CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001360417274 1065280968 /nfs/dbraw/zinc/28/09/68/1065280968.db2.gz VBIRHYRFXMGNHS-UHFFFAOYSA-N 0 0 497.496 4.731 20 0 JJADRN CO[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)C12CCC2 ZINC001436268821 1065281027 /nfs/dbraw/zinc/28/10/27/1065281027.db2.gz ZOILEZAZRTWFQA-GOTSBHOMSA-N 0 0 456.627 4.906 20 0 JJADRN O=C(Nc1cc(N2CCOCC2)ccc1Br)C1(c2ccc(F)cc2F)CCC1 ZINC001436268448 1065281072 /nfs/dbraw/zinc/28/10/72/1065281072.db2.gz WKTQQOHSHCSSDZ-UHFFFAOYSA-N 0 0 451.311 4.624 20 0 JJADRN CC(C)SCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001360418177 1065282701 /nfs/dbraw/zinc/28/27/01/1065282701.db2.gz OLURGXOXRAIXGV-LJQANCHMSA-N 0 0 481.453 4.705 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)sc21 ZINC001360418214 1065282898 /nfs/dbraw/zinc/28/28/98/1065282898.db2.gz XFYOUFAHEVAGRX-UHFFFAOYSA-N 0 0 454.895 4.879 20 0 JJADRN CC(C)SCCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001360418551 1065283230 /nfs/dbraw/zinc/28/32/30/1065283230.db2.gz YVAPPLDKELAVOR-UHFFFAOYSA-N 0 0 473.662 4.891 20 0 JJADRN CC(C)SCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001360418311 1065283450 /nfs/dbraw/zinc/28/34/50/1065283450.db2.gz QACHXYOSKLANRG-UHFFFAOYSA-N 0 0 462.063 4.721 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCC[C@@]2(C)CC2(Cl)Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001436272415 1065283646 /nfs/dbraw/zinc/28/36/46/1065283646.db2.gz HEEMNGGEMCDJDH-ZVZYQTTQSA-N 0 0 451.316 4.705 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1CC[C@H](C)c1ccccc1 ZINC001545896572 1065283656 /nfs/dbraw/zinc/28/36/56/1065283656.db2.gz VRPIOPTXQOKUAS-RXFWQSSRSA-N 0 0 455.647 4.786 20 0 JJADRN COc1ccccc1-n1c(NC(=O)C[C@H](C)n2cc(Br)cn2)nc2ccccc21 ZINC001360419597 1065284521 /nfs/dbraw/zinc/28/45/21/1065284521.db2.gz XJBKKPCNRQAMLD-AWEZNQCLSA-N 0 0 454.328 4.583 20 0 JJADRN Cc1cccc(N(CC(C)(C)C)C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)n1 ZINC001436278440 1065284738 /nfs/dbraw/zinc/28/47/38/1065284738.db2.gz NMRJGIBSRPAPRX-UHFFFAOYSA-N 0 0 457.621 4.539 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001360420253 1065284891 /nfs/dbraw/zinc/28/48/91/1065284891.db2.gz PPXCOVUHJVPQME-ROUUACIJSA-N 0 0 479.716 4.993 20 0 JJADRN CC(C)SCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360420170 1065284906 /nfs/dbraw/zinc/28/49/06/1065284906.db2.gz OBURBQWQPNEADL-UHFFFAOYSA-N 0 0 466.533 4.514 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001360420314 1065285028 /nfs/dbraw/zinc/28/50/28/1065285028.db2.gz QMOHUCOSCVYFMZ-NJDAHSKKSA-N 0 0 493.718 4.540 20 0 JJADRN CC[C@H](C)[C@H](C(=O)NCc1ccc(-c2cccc(OC)c2)cc1)N1C(=O)c2ccccc2C1=O ZINC001360419879 1065285113 /nfs/dbraw/zinc/28/51/13/1065285113.db2.gz AJWRCKBBLDGRHI-AVRWGWEMSA-N 0 0 456.542 4.689 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001436279997 1065285443 /nfs/dbraw/zinc/28/54/43/1065285443.db2.gz TXQWHYTUYTZENL-JKSUJKDBSA-N 0 0 453.464 4.864 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1N1CCCC1=O ZINC001360420557 1065285536 /nfs/dbraw/zinc/28/55/36/1065285536.db2.gz JMJIQYJAAMYMRS-UHFFFAOYSA-N 0 0 455.436 4.950 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001360420720 1065286087 /nfs/dbraw/zinc/28/60/87/1065286087.db2.gz WNCLHIFNNSBUOM-AQNXPRMDSA-N 0 0 463.692 4.913 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccnc(-c2ccccn2)n1 ZINC001360420753 1065286186 /nfs/dbraw/zinc/28/61/86/1065286186.db2.gz MJEJMRHTOHXWOZ-UHFFFAOYSA-N 0 0 451.408 4.675 20 0 JJADRN Cc1cc(CCC(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001436284694 1065286838 /nfs/dbraw/zinc/28/68/38/1065286838.db2.gz GCLIOSZNVGZQSN-GOSISDBHSA-N 0 0 453.421 4.986 20 0 JJADRN CC(C)SCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001360421420 1065287152 /nfs/dbraw/zinc/28/71/52/1065287152.db2.gz BKNAOMOGKJPHCW-UHFFFAOYSA-N 0 0 475.037 4.525 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001436285873 1065287564 /nfs/dbraw/zinc/28/75/64/1065287564.db2.gz QVGKRVJZOVQEAI-NVXWUHKLSA-N 0 0 455.393 4.512 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001545896683 1065288117 /nfs/dbraw/zinc/28/81/17/1065288117.db2.gz XXQSWUUZZYHKPO-UHFFFAOYSA-N 0 0 489.064 4.814 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)[C@H]1n1cccn1 ZINC001436291725 1065288569 /nfs/dbraw/zinc/28/85/69/1065288569.db2.gz RRLLAFKERAIHBK-IPMKNSEASA-N 0 0 451.489 4.517 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c1 ZINC001436290954 1065288658 /nfs/dbraw/zinc/28/86/58/1065288658.db2.gz PMOYEZVKLUBIGW-GOSISDBHSA-N 0 0 453.489 4.528 20 0 JJADRN CO[C@@](C)(C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)C(=O)OC(C)(C)C ZINC001360422601 1065288926 /nfs/dbraw/zinc/28/89/26/1065288926.db2.gz GFLKFTIBGPBCAE-QHCPKHFHSA-N 0 0 455.536 4.683 20 0 JJADRN COc1c(OC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)ccc2ccccc21 ZINC001436293289 1065289237 /nfs/dbraw/zinc/28/92/37/1065289237.db2.gz HRMSUSWOHSXGNT-UHFFFAOYSA-N 0 0 454.404 4.941 20 0 JJADRN CC(C)SCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001360422761 1065289635 /nfs/dbraw/zinc/28/96/35/1065289635.db2.gz JGLHPADPFDSLHL-GOSISDBHSA-N 0 0 460.673 4.962 20 0 JJADRN CC(C)SCCn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001360422699 1065289662 /nfs/dbraw/zinc/28/96/62/1065289662.db2.gz HHWZHSCVVFCGHY-HNNXBMFYSA-N 0 0 471.490 4.703 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc(Br)cc2SC)c(OC)c1 ZINC001436295693 1065290365 /nfs/dbraw/zinc/29/03/65/1065290365.db2.gz VGENWXRFERHZSO-GFCCVEGCSA-N 0 0 454.386 4.558 20 0 JJADRN COc1cc(OC)c(C[C@H](C)NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)c(OC)c1 ZINC001436295607 1065290387 /nfs/dbraw/zinc/29/03/87/1065290387.db2.gz UCZVUOZORVJDSB-SFHVURJKSA-N 0 0 451.567 4.691 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CCc1cccc(OCc2ccccc2)c1)c1noc(C)n1 ZINC001360423302 1065290776 /nfs/dbraw/zinc/29/07/76/1065290776.db2.gz SWRMDBVQQURSRL-AREMUKBSSA-N 0 0 457.530 4.804 20 0 JJADRN CC(C)SCCn1c(CCCc2ccccc2)nnc1N1CCN(c2cccs2)CC1 ZINC001360423234 1065290850 /nfs/dbraw/zinc/29/08/50/1065290850.db2.gz QZZHCHYWNGNDPD-UHFFFAOYSA-N 0 0 455.697 4.983 20 0 JJADRN CC(C)SCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001360423514 1065291570 /nfs/dbraw/zinc/29/15/70/1065291570.db2.gz VFIOSUJZSJDLHM-HSZRJFAPSA-N 0 0 459.685 4.738 20 0 JJADRN Cc1noc(-c2ccc(NC(=O)CCc3cc(C(F)(F)F)ccc3Br)cn2)n1 ZINC001436301959 1065291978 /nfs/dbraw/zinc/29/19/78/1065291978.db2.gz PGCLKGHWGZVADQ-UHFFFAOYSA-N 0 0 455.234 4.793 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1ccnc(C(F)(F)F)c1 ZINC001436302850 1065292004 /nfs/dbraw/zinc/29/20/04/1065292004.db2.gz WOEHJULTTVTWPU-UHFFFAOYSA-N 0 0 453.420 4.958 20 0 JJADRN Cc1cc(C(=O)NCc2ccnc(C(F)(F)F)c2)c(I)cc1Cl ZINC001436306016 1065292598 /nfs/dbraw/zinc/29/25/98/1065292598.db2.gz XVAXIOOHJYYWGA-UHFFFAOYSA-N 0 0 454.617 4.597 20 0 JJADRN CC(C)SCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360424568 1065292720 /nfs/dbraw/zinc/29/27/20/1065292720.db2.gz AWENANVIIFJRTR-XDNAFOTISA-N 0 0 469.721 4.521 20 0 JJADRN Cn1cc(Br)c(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)n1 ZINC001436305921 1065292736 /nfs/dbraw/zinc/29/27/36/1065292736.db2.gz YKTIXEQNUNIWHH-GOSISDBHSA-N 0 0 452.324 4.611 20 0 JJADRN COc1ccccc1OC[C@H](C)CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001545896876 1065292761 /nfs/dbraw/zinc/29/27/61/1065292761.db2.gz DFTYVAOZHABSCX-MRXNPFEDSA-N 0 0 458.352 4.821 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001436308634 1065293124 /nfs/dbraw/zinc/29/31/24/1065293124.db2.gz QKZKMMOWLOKCSE-UHFFFAOYSA-N 0 0 454.929 4.680 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN(C)c1ccccc1 ZINC001360424752 1065293281 /nfs/dbraw/zinc/29/32/81/1065293281.db2.gz IGYBVQMNAGADDA-AZUAARDMSA-N 0 0 457.420 4.825 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(-c2cccc(Br)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001360424830 1065293647 /nfs/dbraw/zinc/29/36/47/1065293647.db2.gz KYMDZRJGHLDTAS-VQTJNVASSA-N 0 0 474.447 4.619 20 0 JJADRN CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001360424849 1065293677 /nfs/dbraw/zinc/29/36/77/1065293677.db2.gz LUKRGFYQNTXKGC-DENIHFKCSA-N 0 0 474.671 4.746 20 0 JJADRN CC(C)SCCn1c(N(CCO)Cc2ccc(F)c(Br)c2)nnc1C(C)(C)C ZINC001360424762 1065293717 /nfs/dbraw/zinc/29/37/17/1065293717.db2.gz IPLBZCVWNIPTIL-UHFFFAOYSA-N 0 0 473.456 4.618 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001436312698 1065294571 /nfs/dbraw/zinc/29/45/71/1065294571.db2.gz HLRZDYJIZLRPDU-HSZRJFAPSA-N 0 0 453.627 4.608 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360425327 1065294909 /nfs/dbraw/zinc/29/49/09/1065294909.db2.gz CXJVYVBJLHOJSD-AZUAARDMSA-N 0 0 450.002 4.502 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001436313014 1065295049 /nfs/dbraw/zinc/29/50/49/1065295049.db2.gz PFCBQBAQWHBWEV-IBGZPJMESA-N 0 0 451.364 4.847 20 0 JJADRN CC(C)(C)Sc1c(F)cc(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)cc1F ZINC001436316384 1065295618 /nfs/dbraw/zinc/29/56/18/1065295618.db2.gz ZNPKFIXAJUUAJO-UHFFFAOYSA-N 0 0 456.518 4.636 20 0 JJADRN CCOC(=O)c1sc(NC(=O)/C=C\c2cccnc2)nc1-c1ccc(Br)cc1 ZINC001436316668 1065295729 /nfs/dbraw/zinc/29/57/29/1065295729.db2.gz RZHHGQFXDHUCAS-YHYXMXQVSA-N 0 0 458.337 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2ccccc2F)CC1 ZINC001360427158 1065297401 /nfs/dbraw/zinc/29/74/01/1065297401.db2.gz UGRBNNMLOALNFV-DFNIBXOVSA-N 0 0 458.574 4.954 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC001436337313 1065297388 /nfs/dbraw/zinc/29/73/88/1065297388.db2.gz GRJAPPDUEORGLQ-CYBMUJFWSA-N 0 0 457.141 4.681 20 0 JJADRN O=C(CC1CCC(C(F)(F)F)CC1)NCc1c(Br)cncc1Br ZINC001436340168 1065298761 /nfs/dbraw/zinc/29/87/61/1065298761.db2.gz NKOZKYIZLLCZCN-UHFFFAOYSA-N 0 0 458.116 4.982 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC1(F)F ZINC001360427906 1065298764 /nfs/dbraw/zinc/29/87/64/1065298764.db2.gz YFWOLGXSYBVSLC-HZPDHXFCSA-N 0 0 467.511 4.815 20 0 JJADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(F)(F)C1 ZINC001360428014 1065298773 /nfs/dbraw/zinc/29/87/73/1065298773.db2.gz BAWFGKWZESHTAO-GJZGRUSLSA-N 0 0 476.478 4.836 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC1(F)F ZINC001360427904 1065298782 /nfs/dbraw/zinc/29/87/82/1065298782.db2.gz YFWOLGXSYBVSLC-CVEARBPZSA-N 0 0 467.511 4.815 20 0 JJADRN COC1CCC(CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001436341278 1065298783 /nfs/dbraw/zinc/29/87/83/1065298783.db2.gz DLEIAARTDBZCAT-PTJQLTCSSA-N 0 0 462.606 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001436342180 1065298793 /nfs/dbraw/zinc/29/87/93/1065298793.db2.gz HUHMKYJFIAKRCX-UYAOXDASSA-N 0 0 480.536 4.703 20 0 JJADRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)O ZINC001360428074 1065299426 /nfs/dbraw/zinc/29/94/26/1065299426.db2.gz BVYOMXKZAJYNFF-ZDUSSCGKSA-N 0 0 482.373 4.683 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)NCc1c(Br)cncc1Br ZINC001436344515 1065299467 /nfs/dbraw/zinc/29/94/67/1065299467.db2.gz WZCIKAXQJNQAFZ-UHFFFAOYSA-N 0 0 457.147 4.562 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)NCc1c(Br)cncc1Br ZINC001436344364 1065299573 /nfs/dbraw/zinc/29/95/73/1065299573.db2.gz WHWOAQMVUIFTGB-UWVGGRQHSA-N 0 0 458.116 4.982 20 0 JJADRN CC(C)[C@H]1C[C@H](C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC001436345007 1065299994 /nfs/dbraw/zinc/29/99/94/1065299994.db2.gz OIPDNYOOYZQFAF-OHUMZHCVSA-N 0 0 462.606 4.734 20 0 JJADRN CC(C)[C@@H]1C[C@@H](C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC001436345005 1065300206 /nfs/dbraw/zinc/30/02/06/1065300206.db2.gz OIPDNYOOYZQFAF-JVSAHFFESA-N 0 0 462.606 4.734 20 0 JJADRN CC[C@@H](C)n1c2ccc(NC(=O)CCn3c4ccccc4n(C)c3=O)cc2nc1C(F)(F)F ZINC001436348046 1065300654 /nfs/dbraw/zinc/30/06/54/1065300654.db2.gz ZXFLPEHCALAOLH-CQSZACIVSA-N 0 0 459.472 4.708 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)cc2nc1C(F)(F)F ZINC001436346968 1065300667 /nfs/dbraw/zinc/30/06/67/1065300667.db2.gz WGHPPNQEHFKOOS-WNSKOXEYSA-N 0 0 458.484 4.813 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360428310 1065300686 /nfs/dbraw/zinc/30/06/86/1065300686.db2.gz HJZWCFAVEOAZAM-QGZVFWFLSA-N 0 0 480.625 4.844 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(Cl)cn1 ZINC001360428319 1065300838 /nfs/dbraw/zinc/30/08/38/1065300838.db2.gz HPJWUWHRKDCYDO-CVEARBPZSA-N 0 0 477.943 4.775 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C2)cc1 ZINC001436360424 1065301952 /nfs/dbraw/zinc/30/19/52/1065301952.db2.gz VPGUMEGFYTYSEV-HSZRJFAPSA-N 0 0 450.579 4.525 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC001436355993 1065302094 /nfs/dbraw/zinc/30/20/94/1065302094.db2.gz PQAUXGNYMWCJQI-DOQJBMMISA-N 0 0 456.505 4.551 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)c3ccccc3n2)cc1OC ZINC001436358392 1065302141 /nfs/dbraw/zinc/30/21/41/1065302141.db2.gz VSLFOWXZOLXLEE-DEOSSOPVSA-N 0 0 450.535 4.625 20 0 JJADRN Cc1ccc2cc(C(=O)N3CC[C@@H](Cc4cccc(I)c4)C3)ccc2n1 ZINC001436362100 1065302480 /nfs/dbraw/zinc/30/24/80/1065302480.db2.gz CAXGMIGRIXUYEM-KRWDZBQOSA-N 0 0 456.327 4.853 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCC1(F)F ZINC001360429078 1065302810 /nfs/dbraw/zinc/30/28/10/1065302810.db2.gz RDDGPRYPTHNBGJ-QWQRMKEZSA-N 0 0 453.484 4.530 20 0 JJADRN CC1(C)OC(=O)c2c1cccc2C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001360429039 1065302878 /nfs/dbraw/zinc/30/28/78/1065302878.db2.gz IFVISHHVJOAZPR-UHFFFAOYSA-N 0 0 451.500 4.540 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccncc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360429356 1065303617 /nfs/dbraw/zinc/30/36/17/1065303617.db2.gz UONFTRSHOZIZCU-QGZVFWFLSA-N 0 0 486.567 4.606 20 0 JJADRN O=C(NCc1cccc(CN2C(=O)CSC2=O)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC001545897394 1065303605 /nfs/dbraw/zinc/30/36/05/1065303605.db2.gz XETXKJUZJSFLFG-UHFFFAOYSA-N 0 0 452.482 4.757 20 0 JJADRN COc1ccccc1-c1nnc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1 ZINC001436368372 1065303686 /nfs/dbraw/zinc/30/36/86/1065303686.db2.gz DZVOLKPTFFPTQN-HXUWFJFHSA-N 0 0 458.543 4.714 20 0 JJADRN CC(=O)c1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)sc1C ZINC001436367915 1065303875 /nfs/dbraw/zinc/30/38/75/1065303875.db2.gz SAFNSUJDYCCGFX-HNNXBMFYSA-N 0 0 457.474 4.877 20 0 JJADRN C[C@H](Cn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001360429889 1065304903 /nfs/dbraw/zinc/30/49/03/1065304903.db2.gz ZAMXNWARHNVYOI-HUUCEWRRSA-N 0 0 451.562 4.964 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(OC(F)F)cc3F)cc2)cc1 ZINC001360429761 1065304911 /nfs/dbraw/zinc/30/49/11/1065304911.db2.gz WPQJVCQZIPKAOL-UHFFFAOYSA-N 0 0 451.422 4.875 20 0 JJADRN COc1cc(COC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)ccc1Cl ZINC001436376939 1065305308 /nfs/dbraw/zinc/30/53/08/1065305308.db2.gz YXRJWIHNAPZJFF-UHFFFAOYSA-N 0 0 452.816 4.579 20 0 JJADRN O=C(Cc1csc(COc2ccccc2)n1)NCC1(c2cccc(Br)c2)CC1 ZINC001360430007 1065305707 /nfs/dbraw/zinc/30/57/07/1065305707.db2.gz BRXCGADMAKJYQV-UHFFFAOYSA-N 0 0 457.393 4.875 20 0 JJADRN COc1ccc(CC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1OC(F)F ZINC001436379086 1065305723 /nfs/dbraw/zinc/30/57/23/1065305723.db2.gz NDRBCUDAMUPEIK-UHFFFAOYSA-N 0 0 450.429 4.721 20 0 JJADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC001436378167 1065305807 /nfs/dbraw/zinc/30/58/07/1065305807.db2.gz FXHIPVSBZIKITL-UHFFFAOYSA-N 0 0 451.504 4.626 20 0 JJADRN COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC001436380981 1065305864 /nfs/dbraw/zinc/30/58/64/1065305864.db2.gz VBQBTYKUNFRBIK-UHFFFAOYSA-N 0 0 451.426 4.621 20 0 JJADRN O=C(OCc1ccc(OC(F)F)c(Br)c1)c1ccc(OCC(F)(F)F)cn1 ZINC001436378365 1065305873 /nfs/dbraw/zinc/30/58/73/1065305873.db2.gz AJCYWVVRGHLCEI-UHFFFAOYSA-N 0 0 456.161 4.744 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360430994 1065306135 /nfs/dbraw/zinc/30/61/35/1065306135.db2.gz CUFJZVGVEHEJRU-SEEUUAMPSA-N 0 0 466.598 4.653 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CC[C@@H](C)c1ccccc1 ZINC001545897508 1065306289 /nfs/dbraw/zinc/30/62/89/1065306289.db2.gz AQMOXIBJGGTURI-ZJSXRUAMSA-N 0 0 477.657 4.737 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F ZINC001360431240 1065306790 /nfs/dbraw/zinc/30/67/90/1065306790.db2.gz HLPANKZMIFXKHM-PBHICJAKSA-N 0 0 450.484 4.980 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccccc1 ZINC001436387601 1065307030 /nfs/dbraw/zinc/30/70/30/1065307030.db2.gz VJHIMERFOUKBMF-OAQYLSRUSA-N 0 0 456.445 4.552 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001436387186 1065307185 /nfs/dbraw/zinc/30/71/85/1065307185.db2.gz YSMGFTMWICWXFV-SEYXRHQNSA-N 0 0 453.583 4.943 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360431294 1065307415 /nfs/dbraw/zinc/30/74/15/1065307415.db2.gz CDGMOXHXOSTGGF-INIZCTEOSA-N 0 0 470.618 4.653 20 0 JJADRN COc1cccc(N(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)c2ccccc2)c1 ZINC001436391996 1065307601 /nfs/dbraw/zinc/30/76/01/1065307601.db2.gz RGSOIUCKOYGHBA-UHFFFAOYSA-N 0 0 454.473 4.619 20 0 JJADRN C[C@@H](c1cc2ccccc2o1)N(C)c1nnc([C@@H]2CCOC2)n1CCCN(C)CC(F)(F)F ZINC001360431759 1065308083 /nfs/dbraw/zinc/30/80/83/1065308083.db2.gz LCKRLVWYVZHZPW-FUHWJXTLSA-N 0 0 465.520 4.610 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cc1S(=O)(=O)C1CCCC1 ZINC001436395158 1065308441 /nfs/dbraw/zinc/30/84/41/1065308441.db2.gz GROUQKSXWLYIKP-OAQYLSRUSA-N 0 0 452.979 4.745 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccccn2)n1CCOc1ncccc1Cl ZINC001360432175 1065308615 /nfs/dbraw/zinc/30/86/15/1065308615.db2.gz IVCCAXKXVOLNLD-INIZCTEOSA-N 0 0 452.921 4.804 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1 ZINC001360431957 1065308724 /nfs/dbraw/zinc/30/87/24/1065308724.db2.gz GWFTUEVYVIGNFL-AWEZNQCLSA-N 0 0 462.367 4.799 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1 ZINC001360431958 1065308781 /nfs/dbraw/zinc/30/87/81/1065308781.db2.gz GWFTUEVYVIGNFL-CQSZACIVSA-N 0 0 462.367 4.799 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](c3ccccc3)C(F)F)C2)c2ccccc12 ZINC001436397913 1065309037 /nfs/dbraw/zinc/30/90/37/1065309037.db2.gz RMORMZBYZSUOQG-JPYJTQIMSA-N 0 0 452.501 4.823 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(Cc2ccncc2)n1CC(F)(F)Br ZINC001360432206 1065309211 /nfs/dbraw/zinc/30/92/11/1065309211.db2.gz IYATXVRCPVCLIM-LBPRGKRZSA-N 0 0 472.284 4.727 20 0 JJADRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)COC1 ZINC001360432416 1065309311 /nfs/dbraw/zinc/30/93/11/1065309311.db2.gz POJKETQIZKWOQM-NUJGCVRESA-N 0 0 491.583 4.561 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1Cc1ccc(F)c(Cl)c1 ZINC001545897699 1065309686 /nfs/dbraw/zinc/30/96/86/1065309686.db2.gz DZBAWXFPEBDKAD-HKUYNNGSSA-N 0 0 492.039 4.680 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360432800 1065310580 /nfs/dbraw/zinc/31/05/80/1065310580.db2.gz MGBAZNBCNYVPKR-ZDUSSCGKSA-N 0 0 479.507 4.733 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cccs1 ZINC001360433221 1065311052 /nfs/dbraw/zinc/31/10/52/1065311052.db2.gz SXAIUJXGVYMYDQ-UPCLLVRISA-N 0 0 469.561 4.709 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360432937 1065311243 /nfs/dbraw/zinc/31/12/43/1065311243.db2.gz RWSXSEFBGFZFPS-GUXCAODWSA-N 0 0 487.517 4.880 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)O[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC001436408927 1065311780 /nfs/dbraw/zinc/31/17/80/1065311780.db2.gz LNILVUIYJOVDAH-KDSXSNECSA-N 0 0 459.489 4.702 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC1 ZINC001436409088 1065311870 /nfs/dbraw/zinc/31/18/70/1065311870.db2.gz DVEKEMOMODFLQF-QGZVFWFLSA-N 0 0 458.383 4.600 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1cc(Cl)ccc1I)C(C)(C)C ZINC001436420159 1065314069 /nfs/dbraw/zinc/31/40/69/1065314069.db2.gz CGTAKYUKOKUWEV-ZDUSSCGKSA-N 0 0 451.732 4.887 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CCc2nc(C3CCCC3)no2)n1C ZINC001360434549 1065314615 /nfs/dbraw/zinc/31/46/15/1065314615.db2.gz KBBUHMYNOIZCKB-UHFFFAOYSA-N 0 0 458.360 4.770 20 0 JJADRN O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001360434926 1065314687 /nfs/dbraw/zinc/31/46/87/1065314687.db2.gz VFIFTAUNNBKSSI-QGZVFWFLSA-N 0 0 458.345 4.817 20 0 JJADRN Cn1ncc(Br)c1CC(=O)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360435953 1065315768 /nfs/dbraw/zinc/31/57/68/1065315768.db2.gz JQWZIXBSEUEZQO-IBGZPJMESA-N 0 0 454.702 4.563 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436427171 1065315925 /nfs/dbraw/zinc/31/59/25/1065315925.db2.gz IKEUSMYYDCIQOD-MHECFPHRSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436427178 1065315998 /nfs/dbraw/zinc/31/59/98/1065315998.db2.gz IKEUSMYYDCIQOD-UUOWRZLLSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@H](NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(F)c(Br)c1 ZINC001436428251 1065316603 /nfs/dbraw/zinc/31/66/03/1065316603.db2.gz PYBOQQXIZILICB-VIFPVBQESA-N 0 0 453.205 4.753 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(Br)c3)CC2=O)c1 ZINC001436428723 1065316696 /nfs/dbraw/zinc/31/66/96/1065316696.db2.gz RBKBZIWZUVYBTH-GXTWGEPZSA-N 0 0 451.361 4.540 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1=O ZINC001436430672 1065317484 /nfs/dbraw/zinc/31/74/84/1065317484.db2.gz WMBIIBATTAXGPI-FOIQADDNSA-N 0 0 450.476 4.991 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 ZINC001360437262 1065317794 /nfs/dbraw/zinc/31/77/94/1065317794.db2.gz GMMZURBXDSSNBJ-QUCCMNQESA-N 0 0 461.601 4.696 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(CN2CCCC2=O)n1Cc1sccc1Br ZINC001360437205 1065317821 /nfs/dbraw/zinc/31/78/21/1065317821.db2.gz FMADOCPQNIUUBD-CQSZACIVSA-N 0 0 492.418 4.609 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC3CCCC3)n2CCCOC(F)F)CC1 ZINC001360437572 1065318450 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/nfs/dbraw/zinc/31/96/06/1065319606.db2.gz PMDOHDNZWSYKGG-NHCUHLMSSA-N 0 0 499.675 4.956 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCOCC1 ZINC001360437901 1065319909 /nfs/dbraw/zinc/31/99/09/1065319909.db2.gz SMNCIWYQGUCUFL-WWPVKYPJSA-N 0 0 487.664 4.644 20 0 JJADRN O=C(NC/C=C\c1ccc(Br)cc1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436444538 1065320125 /nfs/dbraw/zinc/32/01/25/1065320125.db2.gz LLICKYMSKYYUHT-AVKJRPAMSA-N 0 0 457.368 4.770 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)C12CCC2 ZINC001360438559 1065320411 /nfs/dbraw/zinc/32/04/11/1065320411.db2.gz HBYQQGSVZDYEQU-SJORKVTESA-N 0 0 451.386 4.659 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)C12CCC2 ZINC001360438556 1065320567 /nfs/dbraw/zinc/32/05/67/1065320567.db2.gz HBYQQGSVZDYEQU-DLBZAZTESA-N 0 0 451.386 4.659 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)[C@@H]1CCCc2sccc21 ZINC001436445629 1065321045 /nfs/dbraw/zinc/32/10/45/1065321045.db2.gz PAUOEYNKKDFPBV-QGZVFWFLSA-N 0 0 452.389 4.978 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@]1(O)CCCC1(C)C ZINC001360438963 1065321054 /nfs/dbraw/zinc/32/10/54/1065321054.db2.gz FGGNXESUTLNBFN-CEJNMYTFSA-N 0 0 458.672 4.812 20 0 JJADRN CNC(=O)Oc1cccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 ZINC001436447273 1065321492 /nfs/dbraw/zinc/32/14/92/1065321492.db2.gz KWNLHBWNBNLBJM-UHFFFAOYSA-N 0 0 455.580 4.540 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F ZINC001360439521 1065321589 /nfs/dbraw/zinc/32/15/89/1065321589.db2.gz KALMIXPSFYWQFY-PSKUBERUSA-N 0 0 453.534 4.797 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1C1CC(C(C)(C)C)C1 ZINC001360439371 1065321638 /nfs/dbraw/zinc/32/16/38/1065321638.db2.gz IPVPJFXDWKATCS-XDTATTDVSA-N 0 0 460.644 4.728 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CC(C)(C)c1ccccn1 ZINC001360439433 1065321660 /nfs/dbraw/zinc/32/16/60/1065321660.db2.gz JEIIRPMLLOUDFU-UPTQXZAWSA-N 0 0 451.640 4.853 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc(Br)cc1 ZINC001436451213 1065322141 /nfs/dbraw/zinc/32/21/41/1065322141.db2.gz UHYTVZAADRKQRR-UGSOOPFHSA-N 0 0 458.274 4.835 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CCOc1ncccc1Cl ZINC001360439820 1065322367 /nfs/dbraw/zinc/32/23/67/1065322367.db2.gz MKRWYEDTMKQNKH-FTDQSSOUSA-N 0 0 474.030 4.608 20 0 JJADRN COc1cc(C(=O)N2CCc3ncc(C)cc32)ccc1OCc1ccc(Br)cc1 ZINC001436456429 1065323071 /nfs/dbraw/zinc/32/30/71/1065323071.db2.gz WULPYDMTERMTJD-UHFFFAOYSA-N 0 0 453.336 4.943 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)Nc2ncnc3scc(-c4ccccc4)c32)CCOCC1 ZINC001436456466 1065323104 /nfs/dbraw/zinc/32/31/04/1065323104.db2.gz XXILJBKSZBPTIT-UHFFFAOYSA-N 0 0 453.564 4.825 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC1CCC(F)(F)CC1 ZINC001360439989 1065322944 /nfs/dbraw/zinc/32/29/44/1065322944.db2.gz NCDUVFPWOSWNOX-OXQOHEQNSA-N 0 0 482.597 4.556 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CCCc1nccs1 ZINC001360440233 1065323038 /nfs/dbraw/zinc/32/30/38/1065323038.db2.gz PAVOGPOQXMVQDT-GOSISDBHSA-N 0 0 487.695 4.701 20 0 JJADRN CCc1nc(C(C)C)ccc1COC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001436459252 1065323680 /nfs/dbraw/zinc/32/36/80/1065323680.db2.gz LAXKDUWMFSTRJI-QHCPKHFHSA-N 0 0 451.567 4.787 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CCc1ccsc1 ZINC001360440348 1065323694 /nfs/dbraw/zinc/32/36/94/1065323694.db2.gz QKHPMISFERSFOM-SFHVURJKSA-N 0 0 472.680 4.916 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360440823 1065324911 /nfs/dbraw/zinc/32/49/11/1065324911.db2.gz XZKKUANTMSOSCN-AOEVEYMLSA-N 0 0 469.655 4.539 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360440927 1065324980 /nfs/dbraw/zinc/32/49/80/1065324980.db2.gz ZHTXFWRWJHPCAY-RQRDFJDXSA-N 0 0 488.608 4.886 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 ZINC001360440824 1065325069 /nfs/dbraw/zinc/32/50/69/1065325069.db2.gz XZKKUANTMSOSCN-LUIUVMSRSA-N 0 0 469.655 4.539 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)CCCOc2cccc(Br)c2)c1 ZINC001436465501 1065325088 /nfs/dbraw/zinc/32/50/88/1065325088.db2.gz DZVWNIMKOSXYAK-UHFFFAOYSA-N 0 0 450.329 4.570 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001436466633 1065325696 /nfs/dbraw/zinc/32/56/96/1065325696.db2.gz QNFYZPXYWWLLRM-UHFFFAOYSA-N 0 0 450.808 4.716 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCC(C)(C)c1ccc(Br)cc1Cl)C1CC1 ZINC001436467949 1065326514 /nfs/dbraw/zinc/32/65/14/1065326514.db2.gz XCTPXWHUIDJNAT-UHFFFAOYSA-N 0 0 459.812 4.896 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1 ZINC001360442524 1065328209 /nfs/dbraw/zinc/32/82/09/1065328209.db2.gz OUJFJAPPXPDGDR-USXNREEHSA-N 0 0 499.706 4.785 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001436476287 1065328508 /nfs/dbraw/zinc/32/85/08/1065328508.db2.gz DQSFGSGPLDMOEG-UHFFFAOYSA-N 0 0 454.651 4.861 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CC2)n1CC1CCC(F)(F)CC1 ZINC001360442890 1065328589 /nfs/dbraw/zinc/32/85/89/1065328589.db2.gz UXZOLKDICUHWSJ-ZYSBOAIWSA-N 0 0 450.599 4.991 20 0 JJADRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001436476638 1065329155 /nfs/dbraw/zinc/32/91/55/1065329155.db2.gz VBWVSISTNDTZOK-XOBRGWDASA-N 0 0 455.917 4.925 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1cccs1 ZINC001360443361 1065329175 /nfs/dbraw/zinc/32/91/75/1065329175.db2.gz YBDSUWHJWWPMMP-YDDRRGFYSA-N 0 0 486.707 4.915 20 0 JJADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CCOC1CCCCCC1 ZINC001360443349 1065329254 /nfs/dbraw/zinc/32/92/54/1065329254.db2.gz XXARNCNIMSBONW-LJQANCHMSA-N 0 0 489.686 4.520 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)C4CCCCC4)c3)cc2)C[C@H](C)O1 ZINC001436480528 1065329821 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C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1NC(=O)CC1(C)C ZINC001360455132 1065354740 /nfs/dbraw/zinc/35/47/40/1065354740.db2.gz ZVWSXBAWHFPCOO-SCLBCKFNSA-N 0 0 490.377 4.552 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)[C@H]1c1cccc(C)c1 ZINC001436548266 1065354838 /nfs/dbraw/zinc/35/48/38/1065354838.db2.gz HEOKFTVJNKTKEY-ATIYNZHBSA-N 0 0 459.546 4.622 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CC[C@@]2(C1)CCc1ccccc1O2)C(=O)OC(C)(C)C ZINC001436548309 1065355076 /nfs/dbraw/zinc/35/50/76/1065355076.db2.gz AFMMHNPJBUKGHV-HHHXNRCGSA-N 0 0 450.579 4.706 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)n1 ZINC001436549049 1065355599 /nfs/dbraw/zinc/35/55/99/1065355599.db2.gz FMEXPLGVNPHKIM-UHFFFAOYSA-N 0 0 458.187 4.632 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccccn2)n1CCNc1ncc(Cl)cc1Cl ZINC001360456346 1065355777 /nfs/dbraw/zinc/35/57/77/1065355777.db2.gz MTVQNOCKGWRKCQ-AWEZNQCLSA-N 0 0 458.353 4.944 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc3cccnc32)n1CCNC(=O)OC(C)(C)C ZINC001360456052 1065355834 /nfs/dbraw/zinc/35/58/34/1065355834.db2.gz GSHQAQPXIMVTLR-KRWDZBQOSA-N 0 0 462.554 4.808 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(C)(C)C ZINC001360456266 1065355892 /nfs/dbraw/zinc/35/58/92/1065355892.db2.gz KYKWNJMBUWNCOA-KRWDZBQOSA-N 0 0 458.632 4.855 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccccc2Cl)n1CCCCCS(C)(=O)=O ZINC001360456705 1065356387 /nfs/dbraw/zinc/35/63/87/1065356387.db2.gz TXWFXHJVWUEYTN-MRXNPFEDSA-N 0 0 450.992 4.604 20 0 JJADRN CO[C@@H](C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Br)s1 ZINC001436551221 1065356749 /nfs/dbraw/zinc/35/67/49/1065356749.db2.gz UDOPAGQBKVITMH-BFUOFWGJSA-N 0 0 451.386 4.592 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)cn2C)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001436551302 1065356768 /nfs/dbraw/zinc/35/67/68/1065356768.db2.gz VBNDGTRVRGOALP-AWEZNQCLSA-N 0 0 458.331 4.978 20 0 JJADRN C[C@@]1(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1(Br)Br ZINC001436550987 1065356803 /nfs/dbraw/zinc/35/68/03/1065356803.db2.gz IENLEJQOMTWXFK-LBPRGKRZSA-N 0 0 452.972 4.556 20 0 JJADRN O=C(Nc1ccc(Br)c(C2CC2)n1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001436551040 1065356884 /nfs/dbraw/zinc/35/68/84/1065356884.db2.gz IQKVIYZWBBIVHC-UHFFFAOYSA-N 0 0 453.127 4.861 20 0 JJADRN CO[C@H](C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Br)s1 ZINC001436551224 1065356932 /nfs/dbraw/zinc/35/69/32/1065356932.db2.gz UDOPAGQBKVITMH-YJYMSZOUSA-N 0 0 451.386 4.592 20 0 JJADRN Cc1cc(NC(=O)c2ccnc(OC3CCCCC3)c2)c(C(=O)NCC(F)(F)F)cc1F ZINC001436551472 1065357403 /nfs/dbraw/zinc/35/74/03/1065357403.db2.gz YYRUHLBOSBCQSW-UHFFFAOYSA-N 0 0 453.436 4.785 20 0 JJADRN C[C@@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)c1ccc(N2CCCCC2=O)cc1 ZINC001436551429 1065357523 /nfs/dbraw/zinc/35/75/23/1065357523.db2.gz XSXSLORKEBKDIH-JTPXSGRQSA-N 0 0 469.626 4.951 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360458241 1065357573 /nfs/dbraw/zinc/35/75/73/1065357573.db2.gz GLNNDWDOJMOYAG-DBXWQHBBSA-N 0 0 458.006 4.919 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001360458242 1065357696 /nfs/dbraw/zinc/35/76/96/1065357696.db2.gz GLNNDWDOJMOYAG-LQWHRVPQSA-N 0 0 458.006 4.919 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001436553670 1065357952 /nfs/dbraw/zinc/35/79/52/1065357952.db2.gz JJMIBDRFJUCSKM-UHFFFAOYSA-N 0 0 452.848 4.877 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC001436554077 1065358561 /nfs/dbraw/zinc/35/85/61/1065358561.db2.gz OJBABNOXJPOJBQ-UHFFFAOYSA-N 0 0 457.914 4.962 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Br ZINC001436554501 1065358639 /nfs/dbraw/zinc/35/86/39/1065358639.db2.gz HVWUPRDGQWRHHB-HXUWFJFHSA-N 0 0 457.412 4.747 20 0 JJADRN O=C(CCc1nc(-c2ccco2)no1)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001436554476 1065358749 /nfs/dbraw/zinc/35/87/49/1065358749.db2.gz RXNNVXWJLXNRFX-UHFFFAOYSA-N 0 0 454.845 4.514 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)cc2F)ccn1 ZINC001436555211 1065359197 /nfs/dbraw/zinc/35/91/97/1065359197.db2.gz YSDKBUMXNFAEPB-JOCHJYFZSA-N 0 0 451.498 4.868 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(F)(F)F ZINC001360459451 1065361254 /nfs/dbraw/zinc/36/12/54/1065361254.db2.gz WMSATBKJDRVHDH-CVEARBPZSA-N 0 0 487.523 4.719 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c(OCCOC(C)C)c1 ZINC001436558226 1065361223 /nfs/dbraw/zinc/36/12/23/1065361223.db2.gz AGAXPUNLCWWLJI-AWEZNQCLSA-N 0 0 454.336 4.892 20 0 JJADRN COc1cccc(C2(CNC(=O)Cc3ccc(Br)c(Br)c3)CC2)c1 ZINC001436558529 1065361371 /nfs/dbraw/zinc/36/13/71/1065361371.db2.gz XJGKGVBMWBROJN-UHFFFAOYSA-N 0 0 453.174 4.611 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C)c1OC ZINC001436559677 1065361995 /nfs/dbraw/zinc/36/19/95/1065361995.db2.gz OEXHYVHLCDTXAN-QMHKHESXSA-N 0 0 451.485 4.858 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@](C)(O)C1CC1 ZINC001360460575 1065362454 /nfs/dbraw/zinc/36/24/54/1065362454.db2.gz CLUPPNIDGZGSRM-OYHNWAKOSA-N 0 0 475.387 4.571 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3F)CC2)ccc1Cl ZINC001360460184 1065362469 /nfs/dbraw/zinc/36/24/69/1065362469.db2.gz SSEAXVJVWXRIJS-UHFFFAOYSA-N 0 0 452.979 4.576 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@](C)(O)C1CC1 ZINC001360460574 1065362485 /nfs/dbraw/zinc/36/24/85/1065362485.db2.gz CLUPPNIDGZGSRM-NYHFZMIOSA-N 0 0 475.387 4.571 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N2CCC(c3ccccc3F)CC2)=NN1c1ccccc1 ZINC001360460226 1065362668 /nfs/dbraw/zinc/36/26/68/1065362668.db2.gz UJNQDVGOKYRLOR-HSZRJFAPSA-N 0 0 451.542 4.508 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cccn1 ZINC001360460601 1065363140 /nfs/dbraw/zinc/36/31/40/1065363140.db2.gz CZAIXVGOFUGQKA-KRWDZBQOSA-N 0 0 485.386 4.697 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 ZINC001360460683 1065363163 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ZINC001436585908 1065384814 /nfs/dbraw/zinc/38/48/14/1065384814.db2.gz VDZSMTYQJZQOKP-UHFFFAOYSA-N 0 0 455.558 4.894 20 0 JJADRN CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001436588238 1065385264 /nfs/dbraw/zinc/38/52/64/1065385264.db2.gz KDDAVXUACHTKES-JTDSTZFVSA-N 0 0 453.505 4.543 20 0 JJADRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001436588949 1065386009 /nfs/dbraw/zinc/38/60/09/1065386009.db2.gz ZJYMAZYIJBMXHY-MRXNPFEDSA-N 0 0 459.974 4.794 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001436590787 1065387330 /nfs/dbraw/zinc/38/73/30/1065387330.db2.gz TXHBKWNRQZJGSK-LBPRGKRZSA-N 0 0 452.349 4.627 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc(C(F)(F)F)c1 ZINC001436593337 1065388998 /nfs/dbraw/zinc/38/89/98/1065388998.db2.gz CLEILLDJEZQTKB-UHFFFAOYSA-N 0 0 454.355 4.908 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3cc(C)n(-c4ccc(F)cc4F)n3)CC2=O)cc1 ZINC001436594491 1065389373 /nfs/dbraw/zinc/38/93/73/1065389373.db2.gz IQSTVUZBSMKNPK-GOSISDBHSA-N 0 0 452.505 4.793 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC001436594607 1065389578 /nfs/dbraw/zinc/38/95/78/1065389578.db2.gz GNQJMMKVLOTVGP-AWEZNQCLSA-N 0 0 458.502 4.654 20 0 JJADRN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001436596053 1065390167 /nfs/dbraw/zinc/39/01/67/1065390167.db2.gz DWXUCBJMJZVVSG-FQEVSTJZSA-N 0 0 455.580 4.664 20 0 JJADRN Cc1oc(C(=O)N(CCCc2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC001436598093 1065391436 /nfs/dbraw/zinc/39/14/36/1065391436.db2.gz PPRKFVCWYLXUNJ-UHFFFAOYSA-N 0 0 452.576 4.652 20 0 JJADRN CCN(CC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C(=O)OC(C)(C)C ZINC001436598659 1065391623 /nfs/dbraw/zinc/39/16/23/1065391623.db2.gz PWDYVHSXFRGRCR-KRWDZBQOSA-N 0 0 450.377 4.681 20 0 JJADRN Cc1cccn(Cc2c(F)cccc2NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1=O ZINC001436597850 1065391645 /nfs/dbraw/zinc/39/16/45/1065391645.db2.gz PCYIZXHHCRHGJF-UHFFFAOYSA-N 0 0 451.498 4.788 20 0 JJADRN C[C@H](Oc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(F)(F)F ZINC001436598910 1065392054 /nfs/dbraw/zinc/39/20/54/1065392054.db2.gz RHXXQBVQSQQONF-GXFFZTMASA-N 0 0 457.246 4.843 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001436598799 1065392119 /nfs/dbraw/zinc/39/21/19/1065392119.db2.gz QOZKEKYRIGGAHV-RUZDIDTESA-N 0 0 452.982 4.973 20 0 JJADRN O=C(Nc1cccc(OC(=O)c2cnn(-c3cccc(Br)c3)c2)c1)c1ccco1 ZINC001360473593 1065393445 /nfs/dbraw/zinc/39/34/45/1065393445.db2.gz XMAMFAKYJXBYAF-UHFFFAOYSA-N 0 0 452.264 4.699 20 0 JJADRN O=C(NCCCn1cc(Br)cn1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001436601040 1065393524 /nfs/dbraw/zinc/39/35/24/1065393524.db2.gz WIRBFJSLMCSAFF-YADHBBJMSA-N 0 0 454.368 4.535 20 0 JJADRN C[C@@H](CCOCc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001436601557 1065394155 /nfs/dbraw/zinc/39/41/55/1065394155.db2.gz XMJAXNKPYLPYBC-SFHVURJKSA-N 0 0 450.000 4.538 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCSCC4)c(C)c3)CC2=O)cc1 ZINC001360475190 1065394113 /nfs/dbraw/zinc/39/41/13/1065394113.db2.gz GRLXBDLUASNUJU-OAQYLSRUSA-N 0 0 451.636 4.882 20 0 JJADRN CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001436602753 1065395235 /nfs/dbraw/zinc/39/52/35/1065395235.db2.gz SCCDQMOHHJHFHR-WOJBJXKFSA-N 0 0 456.336 4.874 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCC(OC3CCCCC3)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001436604830 1065395275 /nfs/dbraw/zinc/39/52/75/1065395275.db2.gz DSGGOBWAAKLBDX-XMSQKQJNSA-N 0 0 453.410 4.853 20 0 JJADRN Cc1cc(NC(=O)c2c(F)cccc2I)c(F)cc1Br ZINC001436603140 1065395405 /nfs/dbraw/zinc/39/54/05/1065395405.db2.gz WRENXYZDXRMDGJ-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001545899833 1065396031 /nfs/dbraw/zinc/39/60/31/1065396031.db2.gz ADMHQWDFZDGUDC-BAGYTPMASA-N 0 0 477.694 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCO[C@H]1CCCC[C@H]1C ZINC001545899835 1065396111 /nfs/dbraw/zinc/39/61/11/1065396111.db2.gz ADMHQWDFZDGUDC-HJNYFJLDSA-N 0 0 477.694 4.576 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC001436607497 1065396531 /nfs/dbraw/zinc/39/65/31/1065396531.db2.gz AKFOPWFPIGORIP-UHFFFAOYSA-N 0 0 459.974 4.524 20 0 JJADRN COc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001436606955 1065396709 /nfs/dbraw/zinc/39/67/09/1065396709.db2.gz JWEOOOYDIUGBQN-BVZFJXPGSA-N 0 0 456.608 4.535 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Cc2ccccc2I)c1 ZINC001360479655 1065397431 /nfs/dbraw/zinc/39/74/31/1065397431.db2.gz ABALJRSEVROLIK-XMMPIXPASA-N 0 0 455.361 4.520 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(Br)nc(Br)c1 ZINC001360479701 1065397524 /nfs/dbraw/zinc/39/75/24/1065397524.db2.gz BGVDNDMAUDQUGA-KRWDZBQOSA-N 0 0 454.162 4.504 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)C(=O)NCCc1ccccc1 ZINC001436614791 1065398249 /nfs/dbraw/zinc/39/82/49/1065398249.db2.gz ZZVRXQGBYKOKOC-HXOBKFHXSA-N 0 0 454.542 4.662 20 0 JJADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001436615035 1065398395 /nfs/dbraw/zinc/39/83/95/1065398395.db2.gz KEXBFZONGITKHB-INIZCTEOSA-N 0 0 452.363 4.641 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC001360480249 1065399003 /nfs/dbraw/zinc/39/90/03/1065399003.db2.gz SNVCFGBVALUEOD-IVZQSRNASA-N 0 0 451.224 4.568 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 ZINC001436621148 1065400778 /nfs/dbraw/zinc/40/07/78/1065400778.db2.gz ALNDROGSQMBVSX-JOCHJYFZSA-N 0 0 454.567 4.673 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)C(=O)c1ccc2c(c1)CCC2 ZINC001436620697 1065400831 /nfs/dbraw/zinc/40/08/31/1065400831.db2.gz FFMADRBEYTUUEI-UHFFFAOYSA-N 0 0 458.743 4.657 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001436621583 1065401376 /nfs/dbraw/zinc/40/13/76/1065401376.db2.gz JSCJWFXDISWJCC-JXFKEZNVSA-N 0 0 452.473 4.818 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001360482802 1065402157 /nfs/dbraw/zinc/40/21/57/1065402157.db2.gz LAKURJVKLUCDBZ-JDFRZJQESA-N 0 0 491.821 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC001360482234 1065402169 /nfs/dbraw/zinc/40/21/69/1065402169.db2.gz XKTDGPOZJKBHTC-HXUWFJFHSA-N 0 0 453.930 4.741 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 ZINC001436622552 1065402102 /nfs/dbraw/zinc/40/21/02/1065402102.db2.gz MMFBAJVIZGWFPQ-PGRDOPGGSA-N 0 0 456.608 4.996 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)CC1 ZINC001436623475 1065402343 /nfs/dbraw/zinc/40/23/43/1065402343.db2.gz XXWLBSQGKYIHHR-VTLFHKLASA-N 0 0 458.599 4.567 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001436626074 1065403090 /nfs/dbraw/zinc/40/30/90/1065403090.db2.gz AKJCOMGABSVHDJ-OFAXGOBFSA-N 0 0 456.558 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC[C@H]1c1ccc(F)cc1 ZINC001436626260 1065403107 /nfs/dbraw/zinc/40/31/07/1065403107.db2.gz AVLZMMCGOHAYPI-NZQKXSOJSA-N 0 0 469.532 4.898 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N1CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC001436626327 1065403841 /nfs/dbraw/zinc/40/38/41/1065403841.db2.gz BHKRAHJTIOTPGC-BHDDXSALSA-N 0 0 468.569 4.774 20 0 JJADRN CC(C)(C)OC(=O)CCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436626618 1065403874 /nfs/dbraw/zinc/40/38/74/1065403874.db2.gz DTRVZWPFAUMCAQ-LEWJYISDSA-N 0 0 478.605 4.937 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)[C@@]3([C@@H]4CCCCO4)CCCO3)CC2)c1 ZINC001436626765 1065404593 /nfs/dbraw/zinc/40/45/93/1065404593.db2.gz GNKDLJZVJABRMZ-NVQXNPDNSA-N 0 0 458.599 4.858 20 0 JJADRN CC(C)Oc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)ccn1 ZINC001436627203 1065404637 /nfs/dbraw/zinc/40/46/37/1065404637.db2.gz LFCHQPRQOXVHFA-LEWJYISDSA-N 0 0 457.546 4.531 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOc3c(F)cccc32)CC[C@H]1c1ccc(F)cc1 ZINC001436626789 1065404691 /nfs/dbraw/zinc/40/46/91/1065404691.db2.gz HBDUGGOMSJIHFN-RCZSKKKRSA-N 0 0 472.532 4.740 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)c1cccs1 ZINC001360485478 1065405481 /nfs/dbraw/zinc/40/54/81/1065405481.db2.gz KFERTDYRYVXKFS-CYBMUJFWSA-N 0 0 494.434 4.586 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001436627834 1065405554 /nfs/dbraw/zinc/40/55/54/1065405554.db2.gz CQFVJHJRQWVIHP-REWPJTCUSA-N 0 0 450.583 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001436627831 1065405573 /nfs/dbraw/zinc/40/55/73/1065405573.db2.gz CQFVJHJRQWVIHP-NFBKMPQASA-N 0 0 450.583 4.785 20 0 JJADRN CC1(C)[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccccc1 ZINC001436628556 1065406348 /nfs/dbraw/zinc/40/63/48/1065406348.db2.gz CGHYLGNZVRNPAB-AHWVRZQESA-N 0 0 468.663 4.740 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H]3[C@H](c4ccccc4)C3(C)C)c2)cc1 ZINC001436629292 1065406387 /nfs/dbraw/zinc/40/63/87/1065406387.db2.gz MIVIYDHBZNGELA-DQEYMECFSA-N 0 0 478.614 4.690 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCS[C@H](C)[C@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC001360486717 1065406474 /nfs/dbraw/zinc/40/64/74/1065406474.db2.gz WCUPULRRLNJBKQ-HZPDHXFCSA-N 0 0 452.576 4.894 20 0 JJADRN Cc1ccc(C[C@@H](NC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)c2ccccn2)cc1 ZINC001360486566 1065406560 /nfs/dbraw/zinc/40/65/60/1065406560.db2.gz VHHKJVLALCJORG-IFMALSPDSA-N 0 0 455.624 4.533 20 0 JJADRN COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2c1O[C@H](C)C2 ZINC001436630010 1065407140 /nfs/dbraw/zinc/40/71/40/1065407140.db2.gz WQRGXQVTTURXSY-LVCYWYKZSA-N 0 0 458.599 4.660 20 0 JJADRN COC[C@@]1(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CCCCN1C(=O)OC(C)(C)C ZINC001436631639 1065408273 /nfs/dbraw/zinc/40/82/73/1065408273.db2.gz RYHPSEOXSPMPDB-XMMPIXPASA-N 0 0 451.007 4.585 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(OC3CCCCC3)cc2)c1 ZINC001360491671 1065408664 /nfs/dbraw/zinc/40/86/64/1065408664.db2.gz JPEFIIZYTNSLQE-UHFFFAOYSA-N 0 0 458.624 4.667 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001360489791 1065408750 /nfs/dbraw/zinc/40/87/50/1065408750.db2.gz XPJSIVXNTZHWIL-LJQANCHMSA-N 0 0 455.551 4.520 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC001436632586 1065408781 /nfs/dbraw/zinc/40/87/81/1065408781.db2.gz CFSABDDXHQNJKW-UHFFFAOYSA-N 0 0 450.461 4.862 20 0 JJADRN COc1ccc(-c2nc(SCC(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)n[nH]2)cc1 ZINC000022206591 1065408813 /nfs/dbraw/zinc/40/88/13/1065408813.db2.gz QLQMXUGMDPZEQR-UHFFFAOYSA-N 0 0 451.577 4.951 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cc(F)c(I)c(F)c1 ZINC001360491953 1065409691 /nfs/dbraw/zinc/40/96/91/1065409691.db2.gz WJYRNOTWZGIAFP-FFSVYQOJSA-N 0 0 451.295 4.985 20 0 JJADRN COCCNC(=O)CSc1ccccc1C(=O)OCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001436634459 1065409713 /nfs/dbraw/zinc/40/97/13/1065409713.db2.gz MSAGQMWPFRZCSN-HNNXBMFYSA-N 0 0 455.498 4.564 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)NCc3cccc(CS(C)(=O)=O)c3)c2c1 ZINC001360491865 1065409757 /nfs/dbraw/zinc/40/97/57/1065409757.db2.gz RSKLKZSHXJWMDV-UHFFFAOYSA-N 0 0 450.585 4.746 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3ccc(C)c(Br)c32)c1 ZINC001436635554 1065409855 /nfs/dbraw/zinc/40/98/55/1065409855.db2.gz NWGWCKIQXQSUBE-UHFFFAOYSA-N 0 0 456.789 4.798 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(N2CCCCCC2)c1 ZINC001360493701 1065410336 /nfs/dbraw/zinc/41/03/36/1065410336.db2.gz FOVDMYDVOIPHCU-OAQYLSRUSA-N 0 0 454.958 4.564 20 0 JJADRN Cc1cc(Br)c(COC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1Cl ZINC001436637144 1065410454 /nfs/dbraw/zinc/41/04/54/1065410454.db2.gz YQUCXFBMFYVGHY-UHFFFAOYSA-N 0 0 453.695 4.776 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)CSCC(=O)N(C)C1CCCCC1 ZINC001436638605 1065411332 /nfs/dbraw/zinc/41/13/32/1065411332.db2.gz XBFHFHHCMPWBBD-UHFFFAOYSA-N 0 0 453.446 4.561 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCCc2cc(C)cc(Br)c21)c1ccc(F)cc1F ZINC001436638231 1065411377 /nfs/dbraw/zinc/41/13/77/1065411377.db2.gz PBCHBDBHFLRYJB-LJQANCHMSA-N 0 0 451.311 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCc2cccc(Br)c2)C1 ZINC001436638971 1065411524 /nfs/dbraw/zinc/41/15/24/1065411524.db2.gz SGYWFHFBVJFLEB-SFHVURJKSA-N 0 0 451.405 4.535 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)C1 ZINC001360496710 1065412155 /nfs/dbraw/zinc/41/21/55/1065412155.db2.gz ASMCWLJPJLKVFZ-AWEZNQCLSA-N 0 0 464.433 4.591 20 0 JJADRN CC(C)C(=O)NCCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)Cc1cccs1 ZINC001360496681 1065412165 /nfs/dbraw/zinc/41/21/65/1065412165.db2.gz AMYXYRCSYISPNX-QGZVFWFLSA-N 0 0 460.047 4.747 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001436639667 1065412295 /nfs/dbraw/zinc/41/22/95/1065412295.db2.gz PCQOERBKEROTKZ-MZMPZRCHSA-N 0 0 455.393 4.574 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001360496714 1065413093 /nfs/dbraw/zinc/41/30/93/1065413093.db2.gz AUDAECBRRZRKLX-MRXNPFEDSA-N 0 0 460.047 4.890 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(SC)c2)cc1 ZINC001436642893 1065414181 /nfs/dbraw/zinc/41/41/81/1065414181.db2.gz UWUDZXFFTZXIPK-UHFFFAOYSA-N 0 0 456.589 4.885 20 0 JJADRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1SC ZINC001436642153 1065414195 /nfs/dbraw/zinc/41/41/95/1065414195.db2.gz MUILXRJHMONVIX-INIZCTEOSA-N 0 0 456.589 4.709 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001360497513 1065414595 /nfs/dbraw/zinc/41/45/95/1065414595.db2.gz IIIZFDNOMFZSTD-LJQANCHMSA-N 0 0 469.630 4.833 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001360497335 1065414703 /nfs/dbraw/zinc/41/47/03/1065414703.db2.gz HCYVUNYVJDGNHK-HFJWLAOPSA-N 0 0 465.667 4.885 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)c(C)cc2Cl)nnn1Cc1ccc(F)cc1F ZINC001436644766 1065414884 /nfs/dbraw/zinc/41/48/84/1065414884.db2.gz KKJZWRNSSOYLHY-UHFFFAOYSA-N 0 0 455.690 4.890 20 0 JJADRN CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360497769 1065415680 /nfs/dbraw/zinc/41/56/80/1065415680.db2.gz LMUIYHMHNHXOHV-QGZVFWFLSA-N 0 0 487.073 4.675 20 0 JJADRN Cc1sc2ncn(CCC(=O)OCc3cc(Cl)cc(Br)c3)c(=O)c2c1C ZINC001436647363 1065415744 /nfs/dbraw/zinc/41/57/44/1065415744.db2.gz MNTRHRWNJRUFSJ-UHFFFAOYSA-N 0 0 455.761 4.624 20 0 JJADRN Cc1nc(NC(=O)c2nn(-c3ccccc3)cc2Br)cc(-c2ccc(F)cc2)n1 ZINC001436647752 1065416347 /nfs/dbraw/zinc/41/63/47/1065416347.db2.gz CHVDELYZAAWBJL-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001436650374 1065417523 /nfs/dbraw/zinc/41/75/23/1065417523.db2.gz XEVJNKVHEMHQEH-NSHDSACASA-N 0 0 458.906 4.575 20 0 JJADRN C[C@H](OC(=O)c1cc(I)ccc1Br)c1cncc(F)c1 ZINC001436653776 1065418189 /nfs/dbraw/zinc/41/81/89/1065418189.db2.gz NFWOALLLYZECGU-QMMMGPOBSA-N 0 0 450.045 4.506 20 0 JJADRN CC(C)c1nnc(N2CCN(CCOc3ccccc3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001360498893 1065418261 /nfs/dbraw/zinc/41/82/61/1065418261.db2.gz XMVGGNLRWAKBOZ-OAQYLSRUSA-N 0 0 453.656 4.543 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001360499033 1065418303 /nfs/dbraw/zinc/41/83/03/1065418303.db2.gz YYQWELGMVKUNPF-MSOLQXFVSA-N 0 0 468.602 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC1(c2cccc(OC)c2)CC1 ZINC001545900159 1065418869 /nfs/dbraw/zinc/41/88/69/1065418869.db2.gz IGFRJQSPVWWBLT-HSZRJFAPSA-N 0 0 497.684 4.721 20 0 JJADRN CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)Cc1cccs1 ZINC001360499081 1065418984 /nfs/dbraw/zinc/41/89/84/1065418984.db2.gz ZTRWLAMXJKDINK-INIZCTEOSA-N 0 0 490.471 4.609 20 0 JJADRN CCOC[C@@H]1CCCCN1C(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001436659330 1065419956 /nfs/dbraw/zinc/41/99/56/1065419956.db2.gz XIPNDZAZIBHNOK-KRWDZBQOSA-N 0 0 457.621 4.715 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360499158 1065419849 /nfs/dbraw/zinc/41/98/49/1065419849.db2.gz BECWDJHDRDWGDO-DNVCBOLYSA-N 0 0 488.455 4.568 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CNC(=O)c2cccs2)nnc1N(C)OC1CCCC1 ZINC001360499896 1065420726 /nfs/dbraw/zinc/42/07/26/1065420726.db2.gz JGDDISVCBDKQKC-MRXNPFEDSA-N 0 0 459.641 4.520 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360499419 1065420764 /nfs/dbraw/zinc/42/07/64/1065420764.db2.gz FRAWJEZTKITABL-IBGZPJMESA-N 0 0 493.599 4.524 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)nnc1-c1ccccc1 ZINC001436672528 1065421630 /nfs/dbraw/zinc/42/16/30/1065421630.db2.gz FBTQNODBZYEMGP-IAGOWNOFSA-N 0 0 452.580 4.923 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)nnc1-c1ccccc1 ZINC001436672538 1065421688 /nfs/dbraw/zinc/42/16/88/1065421688.db2.gz FBTQNODBZYEMGP-SJORKVTESA-N 0 0 452.580 4.923 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)C1CCCC1 ZINC001436674915 1065421724 /nfs/dbraw/zinc/42/17/24/1065421724.db2.gz PTJOWTWQIDGTTD-QMMLZNLJSA-N 0 0 450.645 4.641 20 0 JJADRN C[C@H](CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](C)Cc1cccs1)c1nccs1 ZINC001360500244 1065422162 /nfs/dbraw/zinc/42/21/62/1065422162.db2.gz LPZPBGHYRIFKIB-ZWKOTPCHSA-N 0 0 452.653 4.901 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360500241 1065422378 /nfs/dbraw/zinc/42/23/78/1065422378.db2.gz LPZPBGHYRIFKIB-MSOLQXFVSA-N 0 0 452.653 4.901 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001436678347 1065422207 /nfs/dbraw/zinc/42/22/07/1065422207.db2.gz AURZFDOPQXAYSX-AJYBTWMASA-N 0 0 454.533 4.713 20 0 JJADRN COc1cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c(OC)c1 ZINC001436689749 1065423224 /nfs/dbraw/zinc/42/32/24/1065423224.db2.gz MPZSTLQTVOHTBI-UHFFFAOYSA-N 0 0 452.938 4.982 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)N3CCCc4c(Cl)c(C)c(Cl)cc43)c(C)n2n1 ZINC001436690083 1065423377 /nfs/dbraw/zinc/42/33/77/1065423377.db2.gz XUVKNXFNUJUFNM-UHFFFAOYSA-N 0 0 450.395 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001545900476 1065423435 /nfs/dbraw/zinc/42/34/35/1065423435.db2.gz OYACZOADRZKXLO-WDSOQIARSA-N 0 0 460.022 4.584 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)Cc2cccs2)CCO1 ZINC001360501017 1065424011 /nfs/dbraw/zinc/42/40/11/1065424011.db2.gz PVJULQTYSHQNEU-VGSWGCGISA-N 0 0 460.594 4.949 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360501279 1065425109 /nfs/dbraw/zinc/42/51/09/1065425109.db2.gz RFBPSFCJLJAZST-YOEHRIQHSA-N 0 0 456.559 4.638 20 0 JJADRN Cc1cc2scc(CC(=O)N3CCN(C(=O)[C@@H](C)Oc4ccc(C)cc4C)CC3)c2s1 ZINC001360501386 1065425124 /nfs/dbraw/zinc/42/51/24/1065425124.db2.gz IIADELJQZDSGHX-GOSISDBHSA-N 0 0 456.633 4.569 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c2ccccc2)c(C)c1 ZINC001436702999 1065425101 /nfs/dbraw/zinc/42/51/01/1065425101.db2.gz SRTOANIVWPXZHB-HXUWFJFHSA-N 0 0 458.630 4.703 20 0 JJADRN CCNC(=O)c1ccc(OC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC001360501811 1065426656 /nfs/dbraw/zinc/42/66/56/1065426656.db2.gz YAVUQVGJPBYPMT-UHFFFAOYSA-N 0 0 456.498 4.888 20 0 JJADRN CCCN(C(=O)COc1ccc(Br)cn1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502047 1065426721 /nfs/dbraw/zinc/42/67/21/1065426721.db2.gz NJZRICJALDNIHN-JOCHJYFZSA-N 0 0 458.331 4.785 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CC[C@H]1c1ccc(C)o1 ZINC001436712426 1065426738 /nfs/dbraw/zinc/42/67/38/1065426738.db2.gz DQHITYFIYLBFFW-RXYZOABWSA-N 0 0 455.530 4.628 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001360502273 1065427335 /nfs/dbraw/zinc/42/73/35/1065427335.db2.gz ZHDVNJRCRWMYOD-ZWKOTPCHSA-N 0 0 461.031 4.924 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 ZINC001360502271 1065427377 /nfs/dbraw/zinc/42/73/77/1065427377.db2.gz ZHDVNJRCRWMYOD-QZTJIDSGSA-N 0 0 461.031 4.924 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccccc1F ZINC001360502183 1065427451 /nfs/dbraw/zinc/42/74/51/1065427451.db2.gz YTPJGSGMUDCZLU-QZTJIDSGSA-N 0 0 455.603 4.677 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Cc1cccs1 ZINC001360502187 1065427500 /nfs/dbraw/zinc/42/75/00/1065427500.db2.gz YTPJGSGMUDCZLU-ZWKOTPCHSA-N 0 0 455.603 4.677 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1 ZINC001360502734 1065428851 /nfs/dbraw/zinc/42/88/51/1065428851.db2.gz BKLUMCTXPRHCKQ-LJQANCHMSA-N 0 0 453.631 4.548 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CCSC(F)(F)F ZINC001360502752 1065429007 /nfs/dbraw/zinc/42/90/07/1065429007.db2.gz BWEKVFJCIPVHJT-OAHLLOKOSA-N 0 0 453.534 4.700 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1csc(-c2ccccc2)n1 ZINC001436717688 1065429406 /nfs/dbraw/zinc/42/94/06/1065429406.db2.gz QSDAURBDLZBVFV-UHFFFAOYSA-N 0 0 456.409 4.967 20 0 JJADRN CN1Cc2c(cccc2NC(=O)c2ccc(COc3ccccc3Br)cc2)C1=O ZINC001436717201 1065429532 /nfs/dbraw/zinc/42/95/32/1065429532.db2.gz TXNQWDYOUCMEOG-UHFFFAOYSA-N 0 0 451.320 4.866 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 ZINC001360502894 1065429929 /nfs/dbraw/zinc/42/99/29/1065429929.db2.gz FPKAEJBHCKGILF-ICSRJNTNSA-N 0 0 483.682 4.942 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c1 ZINC001360502983 1065430715 /nfs/dbraw/zinc/43/07/15/1065430715.db2.gz BAYTUMBXNUTCSJ-CQSZACIVSA-N 0 0 459.333 4.888 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC001436727087 1065431179 /nfs/dbraw/zinc/43/11/79/1065431179.db2.gz OGNAEOLEKMFZTM-UHFFFAOYSA-N 0 0 451.376 4.809 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc(Cl)c1OCC(C)C ZINC001436735327 1065432168 /nfs/dbraw/zinc/43/21/68/1065432168.db2.gz CXUOLLNHZSLTPV-GOSISDBHSA-N 0 0 454.995 4.901 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)Nc3nnc(-c4cccc(Br)c4)s3)cnc21 ZINC001360503468 1065432251 /nfs/dbraw/zinc/43/22/51/1065432251.db2.gz JFXWENBVRLIWRU-UHFFFAOYSA-N 0 0 457.357 4.621 20 0 JJADRN Cc1cc(C)c(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC001436737707 1065432982 /nfs/dbraw/zinc/43/29/82/1065432982.db2.gz YYQJYGGZYRJXSG-UHFFFAOYSA-N 0 0 452.352 4.572 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCc3c(Cl)ccc(Cl)c32)c1 ZINC001436736665 1065433127 /nfs/dbraw/zinc/43/31/27/1065433127.db2.gz MCKUOOFAQALMQW-UHFFFAOYSA-N 0 0 459.370 4.754 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(OCC(F)(F)F)cn1 ZINC001360503743 1065433316 /nfs/dbraw/zinc/43/33/16/1065433316.db2.gz QAPXHTRMHCFCAD-UHFFFAOYSA-N 0 0 459.247 4.556 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360503762 1065433343 /nfs/dbraw/zinc/43/33/43/1065433343.db2.gz NGZOVMJQRRPIES-SFHVURJKSA-N 0 0 471.646 4.697 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2)o1)Nc1c(F)cc(I)cc1F ZINC001436739051 1065433740 /nfs/dbraw/zinc/43/37/40/1065433740.db2.gz KNOUKMDEPSABEL-UHFFFAOYSA-N 0 0 454.214 4.796 20 0 JJADRN O=C(Nc1c(F)cc(I)cc1F)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001436738309 1065433751 /nfs/dbraw/zinc/43/37/51/1065433751.db2.gz GTYNRDOPUXHTEF-RKDXNWHRSA-N 0 0 453.148 4.729 20 0 JJADRN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC001436741212 1065434719 /nfs/dbraw/zinc/43/47/19/1065434719.db2.gz GIRBTBPNDNZWFE-RDJZCZTQSA-N 0 0 450.963 4.836 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC001545901159 1065435637 /nfs/dbraw/zinc/43/56/37/1065435637.db2.gz DKKRHOWGLWEWBW-FQEVSTJZSA-N 0 0 458.603 4.746 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3c3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001436749701 1065435746 /nfs/dbraw/zinc/43/57/46/1065435746.db2.gz FVDUOKIWLKPRIL-JMUQELJHSA-N 0 0 452.599 4.821 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C(C)C ZINC001545901165 1065435800 /nfs/dbraw/zinc/43/58/00/1065435800.db2.gz DMYFDBDDZVRCLW-UHFFFAOYSA-N 0 0 458.559 4.855 20 0 JJADRN CSc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)ccc1Cl ZINC001436753987 1065436370 /nfs/dbraw/zinc/43/63/70/1065436370.db2.gz LXRPMVQDZZSWRV-HUUCEWRRSA-N 0 0 453.029 4.981 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c1 ZINC001436755060 1065436518 /nfs/dbraw/zinc/43/65/18/1065436518.db2.gz RAVIGRYBYFLVKB-MBSDFSHPSA-N 0 0 467.612 4.783 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC001436754341 1065436549 /nfs/dbraw/zinc/43/65/49/1065436549.db2.gz YSCHWLIGRABFHZ-UHFFFAOYSA-N 0 0 456.955 4.605 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)CC1(C)C ZINC001436773159 1065439062 /nfs/dbraw/zinc/43/90/62/1065439062.db2.gz RPRJOFXRCOTKGL-HXUWFJFHSA-N 0 0 455.502 4.844 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)CC1(C)C ZINC001436773157 1065439157 /nfs/dbraw/zinc/43/91/57/1065439157.db2.gz RPRJOFXRCOTKGL-FQEVSTJZSA-N 0 0 455.502 4.844 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCc2cccc(Br)c2Cl)[C@@H]1c1cccc(Cl)c1 ZINC001436786375 1065440891 /nfs/dbraw/zinc/44/08/91/1065440891.db2.gz NUYBVRHVCIYFPF-KSSFIOAISA-N 0 0 456.167 4.592 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360505606 1065441565 /nfs/dbraw/zinc/44/15/65/1065441565.db2.gz RFMKUVFPVOESMJ-OXQOHEQNSA-N 0 0 475.515 4.755 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001436790237 1065441574 /nfs/dbraw/zinc/44/15/74/1065441574.db2.gz NPLMRCNNAUTLIB-OAQYLSRUSA-N 0 0 457.361 4.928 20 0 JJADRN O=C(NCc1cc(Cl)cc(Br)c1)c1ccccc1I ZINC001436787650 1065441589 /nfs/dbraw/zinc/44/15/89/1065441589.db2.gz DAHDWVQTCYIPBY-UHFFFAOYSA-N 0 0 450.501 4.637 20 0 JJADRN CCc1ccc(C(=O)Oc2ccc(Br)c(C(F)(F)F)c2)cc1S(C)(=O)=O ZINC001436805409 1065443663 /nfs/dbraw/zinc/44/36/63/1065443663.db2.gz LLGFBUWLLWJWCA-UHFFFAOYSA-N 0 0 451.260 4.653 20 0 JJADRN CS[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)C1 ZINC001360506265 1065443903 /nfs/dbraw/zinc/44/39/03/1065443903.db2.gz AXRMMUIBJUSGMB-ZIAGYGMSSA-N 0 0 456.992 4.684 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001436807110 1065444372 /nfs/dbraw/zinc/44/43/72/1065444372.db2.gz RVEVQNMVZCYJEX-YTXYEVPYSA-N 0 0 451.405 4.881 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)[C@H]1CCC[C@H](C)C1 ZINC001436807095 1065444422 /nfs/dbraw/zinc/44/44/22/1065444422.db2.gz RVEVQNMVZCYJEX-DUPRYPCISA-N 0 0 451.405 4.881 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccco2)cc1 ZINC001436807638 1065444474 /nfs/dbraw/zinc/44/44/74/1065444474.db2.gz CUUJFLJIYCWHNW-OYHNWAKOSA-N 0 0 459.329 4.854 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)C1 ZINC001360506716 1065444750 /nfs/dbraw/zinc/44/47/50/1065444750.db2.gz IATGPQIJURZYMD-RTBURBONSA-N 0 0 458.599 4.545 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001436807894 1065445179 /nfs/dbraw/zinc/44/51/79/1065445179.db2.gz QJJXRDUGEFEIMW-VJBWXMMDSA-N 0 0 452.348 4.998 20 0 JJADRN CS[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)C1 ZINC001360507414 1065445433 /nfs/dbraw/zinc/44/54/33/1065445433.db2.gz PLVSVCYWNBKMEP-HKUYNNGSSA-N 0 0 453.029 4.569 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001360507376 1065445505 /nfs/dbraw/zinc/44/55/05/1065445505.db2.gz OLMKRBDLKGMYFD-AWAHEQQVSA-N 0 0 450.579 4.837 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1ccc(OC(C)(C)C)cn1 ZINC001360507618 1065446416 /nfs/dbraw/zinc/44/64/16/1065446416.db2.gz QUEXEDWWMAGPSM-RTWAWAEBSA-N 0 0 453.583 4.911 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001545902089 1065447482 /nfs/dbraw/zinc/44/74/82/1065447482.db2.gz GYPINBBWDXAUDJ-IEIRFRATSA-N 0 0 453.631 4.662 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2OC)s1 ZINC001436819565 1065447564 /nfs/dbraw/zinc/44/75/64/1065447564.db2.gz WLNOTMHOWIGELG-APWZRJJASA-N 0 0 459.365 4.623 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)O[C@@H](C)c2csnn2)CCC(=O)N1c1ccc(C)cc1 ZINC001436819715 1065447627 /nfs/dbraw/zinc/44/76/27/1065447627.db2.gz BJQMQLOWVBRHIP-BTCOZLQPSA-N 0 0 451.548 4.644 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC001436822444 1065448599 /nfs/dbraw/zinc/44/85/99/1065448599.db2.gz JVAYMXRPCXHYCM-AWEZNQCLSA-N 0 0 459.292 4.724 20 0 JJADRN C[C@H](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC001360509174 1065449007 /nfs/dbraw/zinc/44/90/07/1065449007.db2.gz OEAMEKOMSDPTRS-KRXUUXHPSA-N 0 0 487.620 4.575 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001545902156 1065449274 /nfs/dbraw/zinc/44/92/74/1065449274.db2.gz ILJVOHRWDWQWDC-UHFFFAOYSA-N 0 0 462.598 4.811 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC001436835116 1065449339 /nfs/dbraw/zinc/44/93/39/1065449339.db2.gz GGFOGBHIIWUSQP-GOSISDBHSA-N 0 0 455.769 4.919 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1c(F)cccc1OC(F)F ZINC001545902171 1065449476 /nfs/dbraw/zinc/44/94/76/1065449476.db2.gz IVVKTMZVYWWYCD-GOSISDBHSA-N 0 0 467.536 4.610 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)CC1 ZINC001436837703 1065449496 /nfs/dbraw/zinc/44/94/96/1065449496.db2.gz MXQGQBYGZZIFGJ-UHFFFAOYSA-N 0 0 459.384 4.681 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001545902264 1065451488 /nfs/dbraw/zinc/45/14/88/1065451488.db2.gz LCROWRZUQOTYRZ-QFIPXVFZSA-N 0 0 455.622 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(C)c2)n1CCCc1nnc(C)s1 ZINC001545902265 1065451541 /nfs/dbraw/zinc/45/15/41/1065451541.db2.gz LEJHLETXIGPUNJ-NRFANRHFSA-N 0 0 481.670 4.639 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001436849627 1065452212 /nfs/dbraw/zinc/45/22/12/1065452212.db2.gz ARRZYNQFWGXETP-YOEHRIQHSA-N 0 0 455.723 4.776 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001436849618 1065452543 /nfs/dbraw/zinc/45/25/43/1065452543.db2.gz ARRZYNQFWGXETP-PBHICJAKSA-N 0 0 455.723 4.776 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1I ZINC001436857427 1065453268 /nfs/dbraw/zinc/45/32/68/1065453268.db2.gz OQOUDXIPWYMBFN-HIFRSBDPSA-N 0 0 457.743 4.788 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)Nc2nn(CC(F)(F)F)cc2Br)cn1 ZINC001436854245 1065453324 /nfs/dbraw/zinc/45/33/24/1065453324.db2.gz DOJGXTJUCKQGPO-UHFFFAOYSA-N 0 0 454.250 4.623 20 0 JJADRN Cc1nc(-c2cccs2)sc1C(=O)Nc1nn(CC(F)(F)F)cc1Br ZINC001436858372 1065454249 /nfs/dbraw/zinc/45/42/49/1065454249.db2.gz UYPBHHXHFJPDLA-UHFFFAOYSA-N 0 0 451.293 4.954 20 0 JJADRN C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1)c1ccccc1 ZINC001360510497 1065454459 /nfs/dbraw/zinc/45/44/59/1065454459.db2.gz LWEKOEIATBNVPO-SFHVURJKSA-N 0 0 481.670 4.767 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC001436860880 1065454618 /nfs/dbraw/zinc/45/46/18/1065454618.db2.gz VAWMPTGIMBCLPF-CRAIPNDOSA-N 0 0 452.979 4.622 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)C(=O)N1CCCC1 ZINC001436863708 1065455719 /nfs/dbraw/zinc/45/57/19/1065455719.db2.gz ZGNXXKWCMUBACC-QRFRQXIXSA-N 0 0 458.027 4.904 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2nn(CC(F)(F)F)cc2Br)c1C ZINC001436864683 1065455774 /nfs/dbraw/zinc/45/57/74/1065455774.db2.gz NXEJXGZEKRHCAQ-UHFFFAOYSA-N 0 0 455.072 4.840 20 0 JJADRN Cc1cc(C)c(COC(=O)c2ccccc2S[C@@H](C)C(N)=O)c(OCc2ccccc2)n1 ZINC001436865890 1065456549 /nfs/dbraw/zinc/45/65/49/1065456549.db2.gz DBDOLDDNJDDRCZ-SFHVURJKSA-N 0 0 450.560 4.600 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001436867741 1065457101 /nfs/dbraw/zinc/45/71/01/1065457101.db2.gz DOWFXKUHXZEKNG-KBXCAEBGSA-N 0 0 453.316 4.858 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1F ZINC001436871446 1065458330 /nfs/dbraw/zinc/45/83/30/1065458330.db2.gz UICBBVRESMZDOP-UHFFFAOYSA-N 0 0 450.253 4.683 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 ZINC001436872155 1065459209 /nfs/dbraw/zinc/45/92/09/1065459209.db2.gz DEGQMZGUWHWZKL-UHFFFAOYSA-N 0 0 457.340 4.763 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001436873062 1065459901 /nfs/dbraw/zinc/45/99/01/1065459901.db2.gz FXYPDEYJLGQMGW-UHFFFAOYSA-N 0 0 452.305 4.929 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)c(I)c(F)c2)ccn1Cc1ccccc1 ZINC001360513268 1065460109 /nfs/dbraw/zinc/46/01/09/1065460109.db2.gz TWCZADURNDXVPN-UHFFFAOYSA-N 0 0 452.242 4.980 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001360513570 1065460859 /nfs/dbraw/zinc/46/08/59/1065460859.db2.gz CHNDMKGQPOCWOV-DCFHFQCYSA-N 0 0 494.640 4.528 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001360513571 1065460941 /nfs/dbraw/zinc/46/09/41/1065460941.db2.gz CHNDMKGQPOCWOV-HRFSGMKKSA-N 0 0 494.640 4.528 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCO[C@@H](C)C1 ZINC001360513589 1065461050 /nfs/dbraw/zinc/46/10/50/1065461050.db2.gz COWUPGZGMNXQOI-PMACEKPBSA-N 0 0 494.640 4.612 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C ZINC001436876738 1065461484 /nfs/dbraw/zinc/46/14/84/1065461484.db2.gz XCCGZXLHUQYXIH-SECBINFHSA-N 0 0 451.214 4.882 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)cc1F ZINC001360513645 1065461526 /nfs/dbraw/zinc/46/15/26/1065461526.db2.gz FBZOPNXTNJMCJL-INIZCTEOSA-N 0 0 474.556 4.691 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc3cc(OC)c(OC)cc3c2)c1C ZINC001436876821 1065461633 /nfs/dbraw/zinc/46/16/33/1065461633.db2.gz HSECIPVFALDDKE-UHFFFAOYSA-N 0 0 458.308 4.967 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c(OC)c1 ZINC001436875929 1065461664 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458.784 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2nccc(Br)c2Cl)C1 ZINC001437283551 1065529643 /nfs/dbraw/zinc/52/96/43/1065529643.db2.gz KUAXPSAGMGULCB-GFCCVEGCSA-N 0 0 458.784 4.863 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360541845 1065529899 /nfs/dbraw/zinc/52/98/99/1065529899.db2.gz OMCXIBOSDQGBBT-XLIONFOSSA-N 0 0 483.016 4.901 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCNC(=O)C1CCC1)c1nccs1 ZINC001360542051 1065530319 /nfs/dbraw/zinc/53/03/19/1065530319.db2.gz WUMVZEKXZFRVAF-MRXNPFEDSA-N 0 0 473.046 4.601 20 0 JJADRN Cc1cc(C(F)(F)C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)cnc1Cl ZINC001437284898 1065530683 /nfs/dbraw/zinc/53/06/83/1065530683.db2.gz CUAXPKRSLBVKHY-UHFFFAOYSA-N 0 0 453.674 4.993 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)Oc1cccc(F)c1 ZINC001360542060 1065530674 /nfs/dbraw/zinc/53/06/74/1065530674.db2.gz QLPFVLFWOGTMTD-LBTNJELSSA-N 0 0 499.896 4.756 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC001360542062 1065530914 /nfs/dbraw/zinc/53/09/14/1065530914.db2.gz QLPFVLFWOGTMTD-PMUMKWKESA-N 0 0 499.896 4.756 20 0 JJADRN COCc1nc(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)c(-c2ccccc2)s1 ZINC001437285938 1065531101 /nfs/dbraw/zinc/53/11/01/1065531101.db2.gz VRQDXLCHRCBVMA-IYBDPMFKSA-N 0 0 455.555 4.962 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc(Cl)c1OCC(C)C ZINC001437286706 1065531473 /nfs/dbraw/zinc/53/14/73/1065531473.db2.gz IALJYWLTBXHVBV-NVXWUHKLSA-N 0 0 454.995 4.901 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001437287576 1065531582 /nfs/dbraw/zinc/53/15/82/1065531582.db2.gz MKMHCNASUWQAOU-FQEVSTJZSA-N 0 0 457.933 4.502 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)(F)F)Oc1cccc(F)c1 ZINC001360542506 1065531937 /nfs/dbraw/zinc/53/19/37/1065531937.db2.gz XNPSZNPAPHPARL-ZDUSSCGKSA-N 0 0 457.859 4.989 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC001437288259 1065532109 /nfs/dbraw/zinc/53/21/09/1065532109.db2.gz ORYXYWYDCZKJBP-RYUDHWBXSA-N 0 0 454.390 4.577 20 0 JJADRN O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCOc2c1cccc2C(F)(F)F ZINC001437287943 1065532168 /nfs/dbraw/zinc/53/21/68/1065532168.db2.gz VOWBGFZQVCVUMX-UHFFFAOYSA-N 0 0 452.230 4.693 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccccc1F ZINC001360544189 1065533114 /nfs/dbraw/zinc/53/31/14/1065533114.db2.gz DFDRHSIZTXMMRQ-HNNXBMFYSA-N 0 0 486.345 4.939 20 0 JJADRN O=C(c1cc(=O)[nH]c2ccccc21)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437294046 1065533196 /nfs/dbraw/zinc/53/31/96/1065533196.db2.gz UIHRGRMEVTZWTJ-UHFFFAOYSA-N 0 0 453.214 4.761 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1)N(C)C(=O)OC(C)(C)C ZINC001360544305 1065533372 /nfs/dbraw/zinc/53/33/72/1065533372.db2.gz GLPSQZORAFBTAZ-KRWDZBQOSA-N 0 0 471.005 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545906140 1065534310 /nfs/dbraw/zinc/53/43/10/1065534310.db2.gz RQBYTXBUYYTOSX-IEBWSBKVSA-N 0 0 485.595 4.887 20 0 JJADRN O=C(C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F)c1ccc(Cl)s1 ZINC001437304882 1065534340 /nfs/dbraw/zinc/53/43/40/1065534340.db2.gz RVTZTILMAMUWPM-UHFFFAOYSA-N 0 0 454.651 4.791 20 0 JJADRN C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544566 1065534399 /nfs/dbraw/zinc/53/43/99/1065534399.db2.gz LLCRGLSJPCZKCX-QGZVFWFLSA-N 0 0 450.587 4.595 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360544775 1065534934 /nfs/dbraw/zinc/53/49/34/1065534934.db2.gz PRIMDQWELJWDTI-HZPDHXFCSA-N 0 0 489.045 4.962 20 0 JJADRN O=C(c1cc(F)cc2nccnc21)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437307810 1065534887 /nfs/dbraw/zinc/53/48/87/1065534887.db2.gz ZBPPPMVYXDWQSZ-UHFFFAOYSA-N 0 0 456.193 4.589 20 0 JJADRN O=C(C[C@H]1OCCc2ccccc21)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001437305224 1065535045 /nfs/dbraw/zinc/53/50/45/1065535045.db2.gz STASJPUUBDTXGH-QGZVFWFLSA-N 0 0 456.258 4.897 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360545128 1065535360 /nfs/dbraw/zinc/53/53/60/1065535360.db2.gz AMLMYGUHOLKPGA-WIYYLYMNSA-N 0 0 480.588 4.776 20 0 JJADRN C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360545333 1065536085 /nfs/dbraw/zinc/53/60/85/1065536085.db2.gz ZJMWQJNWBKHDQU-QZTJIDSGSA-N 0 0 450.587 4.737 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001437317762 1065536282 /nfs/dbraw/zinc/53/62/82/1065536282.db2.gz YSACIYLDASDQPR-KRWDZBQOSA-N 0 0 452.967 4.772 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1Cc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360545521 1065536403 /nfs/dbraw/zinc/53/64/03/1065536403.db2.gz FKJBASAHLOWCSQ-RBUKOAKNSA-N 0 0 482.654 4.869 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1 ZINC001360546424 1065537438 /nfs/dbraw/zinc/53/74/38/1065537438.db2.gz LDMJTNBZDSFMEQ-QGZVFWFLSA-N 0 0 454.548 4.548 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC001360546104 1065537488 /nfs/dbraw/zinc/53/74/88/1065537488.db2.gz FGJNCTUWZIQYCT-UHFFFAOYSA-N 0 0 458.312 4.991 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)cn2)c1C ZINC001360546413 1065537642 /nfs/dbraw/zinc/53/76/42/1065537642.db2.gz KPKQNUWYJZADPV-UHFFFAOYSA-N 0 0 451.567 4.629 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360546648 1065538202 /nfs/dbraw/zinc/53/82/02/1065538202.db2.gz PEPQVWASVPCOQU-NRFANRHFSA-N 0 0 455.555 4.601 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546944 1065538570 /nfs/dbraw/zinc/53/85/70/1065538570.db2.gz WZWWCOJJKSFAFZ-FPOVZHCZSA-N 0 0 462.598 4.589 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001360547049 1065538697 /nfs/dbraw/zinc/53/86/97/1065538697.db2.gz XWGHETHKNLMUHV-AQNXPRMDSA-N 0 0 454.619 4.612 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001360547050 1065538755 /nfs/dbraw/zinc/53/87/55/1065538755.db2.gz XWGHETHKNLMUHV-HSALFYBXSA-N 0 0 454.619 4.612 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360547084 1065538797 /nfs/dbraw/zinc/53/87/97/1065538797.db2.gz YEDJUEKRQFMEIC-LEWJYISDSA-N 0 0 476.625 4.885 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CC)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001545906326 1065538751 /nfs/dbraw/zinc/53/87/51/1065538751.db2.gz WMERELRTUXOUEU-AKIFATBCSA-N 0 0 453.631 4.743 20 0 JJADRN CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)[C@@H](C)CO1 ZINC001437339796 1065538966 /nfs/dbraw/zinc/53/89/66/1065538966.db2.gz YZSUBHWRTOVHAU-JXFKEZNVSA-N 0 0 454.368 4.941 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360547177 1065539174 /nfs/dbraw/zinc/53/91/74/1065539174.db2.gz ZKNXSABBSDLASP-RXVVDRJESA-N 0 0 482.604 4.720 20 0 JJADRN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(COc2cccc(Br)c2)o1 ZINC001437343688 1065539365 /nfs/dbraw/zinc/53/93/65/1065539365.db2.gz PWEPJZPGHSZJTJ-UTKZUKDTSA-N 0 0 457.324 4.666 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc2ccccc2s1)N(C)C(=O)OC(C)(C)C ZINC001360548631 1065539663 /nfs/dbraw/zinc/53/96/63/1065539663.db2.gz DTJGZOLPMJUYBN-INIZCTEOSA-N 0 0 481.626 4.775 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nc3c(s2)C(=O)CCC3)[C@@H](c2ccc(Cl)cc2)C1 ZINC001360548117 1065539838 /nfs/dbraw/zinc/53/98/38/1065539838.db2.gz GRRYIHAOAJYJKO-CVEARBPZSA-N 0 0 475.998 4.905 20 0 JJADRN COc1cccc(C2(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3F)CCCC2)c1 ZINC001437346627 1065539879 /nfs/dbraw/zinc/53/98/79/1065539879.db2.gz JLHCMATWRNWHTF-UHFFFAOYSA-N 0 0 456.558 4.987 20 0 JJADRN Cc1ccc(C2(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3F)CCOCC2)cc1 ZINC001437346192 1065539982 /nfs/dbraw/zinc/53/99/82/1065539982.db2.gz IQJSZHIHQWXLHX-UHFFFAOYSA-N 0 0 456.558 4.523 20 0 JJADRN CCn1ccc(COC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC001437349438 1065540361 /nfs/dbraw/zinc/54/03/61/1065540361.db2.gz URKRATRWGGEJLO-AWEZNQCLSA-N 0 0 454.577 4.645 20 0 JJADRN CCCN(CCC)c1ccc(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)cc1 ZINC001437348580 1065540488 /nfs/dbraw/zinc/54/04/88/1065540488.db2.gz PWKANQXJJOTFQZ-UHFFFAOYSA-N 0 0 453.402 4.731 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2cccc(Oc3ccccc3F)c2)CCCOC1 ZINC001437350056 1065540500 /nfs/dbraw/zinc/54/05/00/1065540500.db2.gz VBJYGZOBDNQRAI-RUZDIDTESA-N 0 0 458.530 4.556 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CSC)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001545906449 1065540821 /nfs/dbraw/zinc/54/08/21/1065540821.db2.gz YZJIIWOVBYUKMY-YYWHXJBOSA-N 0 0 459.635 4.786 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCCCC3)c1Cl ZINC001437352313 1065540921 /nfs/dbraw/zinc/54/09/21/1065540921.db2.gz ZHRQISSZYXCYAJ-UHFFFAOYSA-N 0 0 456.391 4.935 20 0 JJADRN COC(=O)c1nc(C(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)cs1 ZINC001437360365 1065541535 /nfs/dbraw/zinc/54/15/35/1065541535.db2.gz AULZQWTUFJMQAD-UHFFFAOYSA-N 0 0 451.273 4.876 20 0 JJADRN Cc1ccc(NC(=O)c2cc(C)c(Br)c(Cl)c2)cc1N1CCCS1(=O)=O ZINC001360551045 1065542183 /nfs/dbraw/zinc/54/21/83/1065542183.db2.gz FIQOHGBWJWKKIU-UHFFFAOYSA-N 0 0 457.777 4.512 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550808 1065542258 /nfs/dbraw/zinc/54/22/58/1065542258.db2.gz RTMIJFOZSBASGL-WOJBJXKFSA-N 0 0 480.613 4.576 20 0 JJADRN Cc1c(C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)nnn1-c1ccc(F)c(Cl)c1 ZINC001437363725 1065542346 /nfs/dbraw/zinc/54/23/46/1065542346.db2.gz KCFITTVOFWUVQX-UHFFFAOYSA-N 0 0 450.942 4.533 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1 ZINC001360550801 1065542388 /nfs/dbraw/zinc/54/23/88/1065542388.db2.gz ARMMWBCERDYXFS-OAQYLSRUSA-N 0 0 452.555 4.700 20 0 JJADRN CCCCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@H]1CCc2ncsc2C1 ZINC001437368432 1065542804 /nfs/dbraw/zinc/54/28/04/1065542804.db2.gz PAWUGMUDQJYHEE-SFHVURJKSA-N 0 0 456.539 4.614 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC001360551743 1065542991 /nfs/dbraw/zinc/54/29/91/1065542991.db2.gz XSNRWLXXDNKLDR-SEYXRHQNSA-N 0 0 453.564 4.827 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)c3ccncc23)ccc1NC(=O)OC(C)(C)C ZINC001437373148 1065543705 /nfs/dbraw/zinc/54/37/05/1065543705.db2.gz QDIZWVQOGIGEEL-UHFFFAOYSA-N 0 0 455.536 4.546 20 0 JJADRN C[C@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001360552806 1065543897 /nfs/dbraw/zinc/54/38/97/1065543897.db2.gz BGQHUBJYOOVPOJ-GOSISDBHSA-N 0 0 495.603 4.514 20 0 JJADRN CCCCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCc2ncsc2C1 ZINC001437373684 1065543909 /nfs/dbraw/zinc/54/39/09/1065543909.db2.gz YQAALGUZUMVTFG-INIZCTEOSA-N 0 0 459.413 4.891 20 0 JJADRN CC[C@]1(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001437383883 1065545990 /nfs/dbraw/zinc/54/59/90/1065545990.db2.gz YXNJTIFNLDQWLU-QFIPXVFZSA-N 0 0 456.414 4.679 20 0 JJADRN Cn1cc(Br)c(C(=O)Nc2ccccc2-c2nc3cc(Cl)ccc3[nH]2)cc1=O ZINC001437385281 1065546161 /nfs/dbraw/zinc/54/61/61/1065546161.db2.gz NJKAORPRYUGTGS-UHFFFAOYSA-N 0 0 457.715 4.597 20 0 JJADRN C[C@H](Cn1c(C2CC2)nnc1N(Cc1c(F)cccc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360555912 1065546280 /nfs/dbraw/zinc/54/62/80/1065546280.db2.gz ZGIZCULKVZLRTE-OAHLLOKOSA-N 0 0 461.557 4.858 20 0 JJADRN O=C(NCCC1CCOCC1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001360556818 1065546417 /nfs/dbraw/zinc/54/64/17/1065546417.db2.gz DUSOQPVRAYBMCT-UHFFFAOYSA-N 0 0 450.486 4.561 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)o1)N(C)C(=O)OC(C)(C)C ZINC001360558054 1065547584 /nfs/dbraw/zinc/54/75/84/1065547584.db2.gz KFFXAGFYPLJKGI-CQSZACIVSA-N 0 0 482.423 4.793 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)c1 ZINC001437408811 1065547886 /nfs/dbraw/zinc/54/78/86/1065547886.db2.gz CRWZTMQVJHKYRQ-VWLOTQADSA-N 0 0 458.599 4.583 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558697 1065548031 /nfs/dbraw/zinc/54/80/31/1065548031.db2.gz BKIDMARONGYNMJ-XMSQKQJNSA-N 0 0 487.620 4.908 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437416448 1065548623 /nfs/dbraw/zinc/54/86/23/1065548623.db2.gz NPZYSIMTJRLUCH-XLIONFOSSA-N 0 0 455.603 4.763 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559634 1065549043 /nfs/dbraw/zinc/54/90/43/1065549043.db2.gz KKYLOAFGYXSODV-VAMGGRTRSA-N 0 0 479.666 4.559 20 0 JJADRN Cc1cc(Br)c(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)s1 ZINC001437419082 1065548985 /nfs/dbraw/zinc/54/89/85/1065548985.db2.gz XSSYDFJPRBONSB-MRXNPFEDSA-N 0 0 457.434 4.800 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1)N(C)C(=O)OC(C)(C)C ZINC001360559455 1065549104 /nfs/dbraw/zinc/54/91/04/1065549104.db2.gz IKNMBCYSSIWTSN-UTKZUKDTSA-N 0 0 490.048 4.991 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001360559695 1065549204 /nfs/dbraw/zinc/54/92/04/1065549204.db2.gz LLJLNFAMVWCOJR-LEWJYISDSA-N 0 0 467.658 4.780 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437417469 1065549287 /nfs/dbraw/zinc/54/92/87/1065549287.db2.gz RSHIQPZPOPVMQF-GOSISDBHSA-N 0 0 451.405 4.738 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC2(CC2(F)F)CC1)c1ccc(Br)cc1 ZINC001437420635 1065549710 /nfs/dbraw/zinc/54/97/10/1065549710.db2.gz OAKAESHLRZHEQH-HNNXBMFYSA-N 0 0 459.331 4.663 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360559753 1065549856 /nfs/dbraw/zinc/54/98/56/1065549856.db2.gz MIQWCRRZGXJHKY-QIJUGHKUSA-N 0 0 487.620 4.956 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360560177 1065550387 /nfs/dbraw/zinc/55/03/87/1065550387.db2.gz SBPFBZVCWFRJGQ-PZJWPPBQSA-N 0 0 469.630 4.897 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360560157 1065550414 /nfs/dbraw/zinc/55/04/14/1065550414.db2.gz RPPZLCJHKQBFTF-KRWDZBQOSA-N 0 0 463.548 4.634 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3cc(Br)ccc31)C2 ZINC001437423341 1065550670 /nfs/dbraw/zinc/55/06/70/1065550670.db2.gz PTMNUPWQGYEBAZ-NVVBAYIOSA-N 0 0 463.416 4.632 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001360560349 1065550841 /nfs/dbraw/zinc/55/08/41/1065550841.db2.gz VHBAQMDTGYMPSF-APWZRJJASA-N 0 0 462.520 4.712 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1nccs1 ZINC001360560443 1065550900 /nfs/dbraw/zinc/55/09/00/1065550900.db2.gz WWNPZJCXLVWFRK-ROUUACIJSA-N 0 0 490.674 4.664 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360560408 1065551066 /nfs/dbraw/zinc/55/10/66/1065551066.db2.gz WKULAUNMWZIOJM-XXBNENTESA-N 0 0 497.640 4.774 20 0 JJADRN C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)n1 ZINC001437426391 1065551254 /nfs/dbraw/zinc/55/12/54/1065551254.db2.gz ZIVZMLWTVPXINN-OXQOHEQNSA-N 0 0 454.571 4.564 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N3CCOc4cc(Br)ccc43)cc2)c1 ZINC001437435184 1065551302 /nfs/dbraw/zinc/55/13/02/1065551302.db2.gz BVPYBUPNGUUWFP-UHFFFAOYSA-N 0 0 452.304 4.728 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)S[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC001360560514 1065551386 /nfs/dbraw/zinc/55/13/86/1065551386.db2.gz YFCFJDFFGGOZGI-YLAKUSLOSA-N 0 0 451.036 4.971 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC001437439259 1065551914 /nfs/dbraw/zinc/55/19/14/1065551914.db2.gz MLUICDVHRUYWQR-RDTXWAMCSA-N 0 0 464.356 4.956 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)C(F)(F)F ZINC001437437557 1065551945 /nfs/dbraw/zinc/55/19/45/1065551945.db2.gz GFEYEJNFQHYEFD-WQJNHMDYSA-N 0 0 457.395 4.829 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C)C(C)(C)C ZINC001360560822 1065552074 /nfs/dbraw/zinc/55/20/74/1065552074.db2.gz HPZFCPGBPFHZDI-PIGZYNQJSA-N 0 0 452.418 4.609 20 0 JJADRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360563021 1065553241 /nfs/dbraw/zinc/55/32/41/1065553241.db2.gz FGHDDCVEEUUNPJ-CABCVRRESA-N 0 0 458.912 4.682 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)c1nccs1)Oc1ccc(Cl)cc1 ZINC001360563760 1065553905 /nfs/dbraw/zinc/55/39/05/1065553905.db2.gz METSDVFTTBLWQH-KURKYZTESA-N 0 0 476.046 4.989 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001360563971 1065554380 /nfs/dbraw/zinc/55/43/80/1065554380.db2.gz NFBBMXUGOQMDSB-MOPGFXCFSA-N 0 0 460.594 4.563 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C)c1nccs1 ZINC001360563951 1065554612 /nfs/dbraw/zinc/55/46/12/1065554612.db2.gz NDRGSNBCJDEQKS-AKHDSKFASA-N 0 0 474.675 4.888 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437457778 1065554794 /nfs/dbraw/zinc/55/47/94/1065554794.db2.gz ABIRNMGERFVZSH-HXUWFJFHSA-N 0 0 450.446 4.955 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccc(F)cc1 ZINC001360564191 1065554875 /nfs/dbraw/zinc/55/48/75/1065554875.db2.gz MPKOSNJEFIQFIU-ZIAGYGMSSA-N 0 0 485.507 4.500 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1)Oc1ccc(F)cc1 ZINC001360564970 1065555520 /nfs/dbraw/zinc/55/55/20/1065555520.db2.gz UCYBKPOYKVCXBU-RBUKOAKNSA-N 0 0 473.593 4.599 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(F)cc1 ZINC001360564518 1065555659 /nfs/dbraw/zinc/55/56/59/1065555659.db2.gz OOJJGHWUJJYQGX-HKUYNNGSSA-N 0 0 476.643 4.600 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)CC1)Oc1ccccc1F ZINC001360564468 1065555684 /nfs/dbraw/zinc/55/56/84/1065555684.db2.gz PVJKBLSJQSEUIE-HZPDHXFCSA-N 0 0 456.484 4.557 20 0 JJADRN 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C[C@H](Cn1c(N2CCO[C@@H](CCc3ccccc3)C2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360587883 1065590643 /nfs/dbraw/zinc/59/06/43/1065590643.db2.gz UKFBXQIHIREWII-IRLDBZIGSA-N 0 0 485.673 4.669 20 0 JJADRN CC(C)c1nnc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(Cl)cc3)CCO2)o1 ZINC001360588047 1065591109 /nfs/dbraw/zinc/59/11/09/1065591109.db2.gz WVCQAQVQVYRHIR-VQIMIIECSA-N 0 0 489.020 4.781 20 0 JJADRN Cc1cc(Br)c(C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)s1 ZINC001437691986 1065591983 /nfs/dbraw/zinc/59/19/83/1065591983.db2.gz HXAWIXNAEMSIJU-LJQANCHMSA-N 0 0 455.377 4.946 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1)Sc1ccccc1 ZINC001360588434 1065592281 /nfs/dbraw/zinc/59/22/81/1065592281.db2.gz WDRCSXJMYIJWSN-AQNXPRMDSA-N 0 0 469.655 4.996 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C12CCC2 ZINC001437693354 1065592585 /nfs/dbraw/zinc/59/25/85/1065592585.db2.gz GMJJGJMFMVXLBD-NUJGCVRESA-N 0 0 454.489 4.737 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC001437695689 1065592688 /nfs/dbraw/zinc/59/26/88/1065592688.db2.gz NWVWWTRXMMEBFT-BCHFMIIMSA-N 0 0 478.614 4.800 20 0 JJADRN C[C@H](Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360588599 1065592680 /nfs/dbraw/zinc/59/26/80/1065592680.db2.gz ZOSFGSIEVKSLSJ-HXUWFJFHSA-N 0 0 473.662 4.874 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1)Oc1ccccc1 ZINC001360588583 1065592838 /nfs/dbraw/zinc/59/28/38/1065592838.db2.gz ZEXKRQJYUGNEEB-SJBKTWHCSA-N 0 0 492.624 4.548 20 0 JJADRN C/C=C/c1ccc(OCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001437697033 1065593222 /nfs/dbraw/zinc/59/32/22/1065593222.db2.gz PUBRUZCZZOYJAG-NXCUKIJISA-N 0 0 456.542 4.621 20 0 JJADRN C/C=C/c1ccc(OCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001437697015 1065593552 /nfs/dbraw/zinc/59/35/52/1065593552.db2.gz PUBRUZCZZOYJAG-CDFOULEDSA-N 0 0 456.542 4.621 20 0 JJADRN CSc1cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)ccc1Br ZINC001360589783 1065593753 /nfs/dbraw/zinc/59/37/53/1065593753.db2.gz RPGZXDLRXUYBPS-UHFFFAOYSA-N 0 0 452.761 4.847 20 0 JJADRN Cc1c(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001360589193 1065593916 /nfs/dbraw/zinc/59/39/16/1065593916.db2.gz VUSAJLDLEHGSCI-UHFFFAOYSA-N 0 0 450.429 4.621 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1F ZINC001360589184 1065593967 /nfs/dbraw/zinc/59/39/67/1065593967.db2.gz VJZXRUJIRHQKQS-UHFFFAOYSA-N 0 0 455.482 4.995 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1C(F)F ZINC001360589553 1065593994 /nfs/dbraw/zinc/59/39/94/1065593994.db2.gz JUPKHASUGKKORY-UHFFFAOYSA-N 0 0 457.868 4.794 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1cc(Nc3nc(C)cc(C)n3)ccc1Cl)O[C@H](C)C2 ZINC001545908921 1065594447 /nfs/dbraw/zinc/59/44/47/1065594447.db2.gz QXKCGPKASVHDQH-OAHLLOKOSA-N 0 0 452.942 4.752 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccc(Br)cc1)c1nccs1 ZINC001360590653 1065596152 /nfs/dbraw/zinc/59/61/52/1065596152.db2.gz NODGGXXSIJWRMC-MAUKXSAKSA-N 0 0 476.444 4.831 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)N(C)C(=O)OC(C)(C)C ZINC001360590522 1065596181 /nfs/dbraw/zinc/59/61/81/1065596181.db2.gz KSBGFXJUJDWLEB-OXZADQLBSA-N 0 0 475.678 4.687 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccc(Br)cc1)c1nccs1 ZINC001360590652 1065596393 /nfs/dbraw/zinc/59/63/93/1065596393.db2.gz NODGGXXSIJWRMC-CRAIPNDOSA-N 0 0 476.444 4.831 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360590876 1065596869 /nfs/dbraw/zinc/59/68/69/1065596869.db2.gz RWTGWNSWBZTPTB-HRAATJIYSA-N 0 0 491.583 4.832 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC=C(C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360590935 1065597469 /nfs/dbraw/zinc/59/74/69/1065597469.db2.gz SWMSAICAPQQWOK-RDTXWAMCSA-N 0 0 456.896 4.949 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCc1cc2cc(C)ccc2o1 ZINC001437738400 1065597706 /nfs/dbraw/zinc/59/77/06/1065597706.db2.gz CITOOQDGFDLRHC-IBGZPJMESA-N 0 0 452.555 4.748 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360591143 1065597847 /nfs/dbraw/zinc/59/78/47/1065597847.db2.gz XROJORPTKZUHEV-SXWKCWPCSA-N 0 0 485.698 4.688 20 0 JJADRN O=C(COc1ccc(F)cc1Br)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC001437746032 1065598740 /nfs/dbraw/zinc/59/87/40/1065598740.db2.gz SQBCOUCQTWEAJO-UHFFFAOYSA-N 0 0 457.271 4.931 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001437744474 1065598771 /nfs/dbraw/zinc/59/87/71/1065598771.db2.gz OQPQCQOUBOLCCN-PKTZIBPZSA-N 0 0 456.558 4.845 20 0 JJADRN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCCc2cc(Cl)ccc21 ZINC001437749704 1065599941 /nfs/dbraw/zinc/59/99/41/1065599941.db2.gz OVVYWVYCSAPURX-INIZCTEOSA-N 0 0 459.420 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1 ZINC001437748328 1065600052 /nfs/dbraw/zinc/60/00/52/1065600052.db2.gz GCVBNPODNCGPRI-DYVFJYSZSA-N 0 0 455.502 4.546 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001437752426 1065600760 /nfs/dbraw/zinc/60/07/60/1065600760.db2.gz IUWWNILUEXOGAU-LEWJYISDSA-N 0 0 465.347 4.996 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC001437753771 1065601419 /nfs/dbraw/zinc/60/14/19/1065601419.db2.gz SLUTWZBZYVWPIG-UHFFFAOYSA-N 0 0 451.205 4.945 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc(Br)cc1 ZINC001437766245 1065602081 /nfs/dbraw/zinc/60/20/81/1065602081.db2.gz DNZKCJAJLLUXKH-GUXCAODWSA-N 0 0 457.368 4.633 20 0 JJADRN CN(C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1nc2cc(Br)ccc2s1 ZINC001437755846 1065602150 /nfs/dbraw/zinc/60/21/50/1065602150.db2.gz XCRPOYNMXFAUGY-LJQANCHMSA-N 0 0 458.381 4.775 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1cc(I)cc(C)c1C ZINC001437768157 1065602995 /nfs/dbraw/zinc/60/29/95/1065602995.db2.gz JPCMQHFSIDNSLN-UHFFFAOYSA-N 0 0 458.137 4.909 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N(C(C)C)[C@@H](c3ccccc3)C(C)C)n2)cc1 ZINC001437768672 1065603110 /nfs/dbraw/zinc/60/31/10/1065603110.db2.gz KCNRARCNUALWEU-RUZDIDTESA-N 0 0 450.583 4.849 20 0 JJADRN Cc1c(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)nnn1-c1ccccc1Cl ZINC001437774702 1065604756 /nfs/dbraw/zinc/60/47/56/1065604756.db2.gz AKLYXEICTPXQLU-UHFFFAOYSA-N 0 0 459.775 4.744 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3cccc(C4CCCCC4)c3)cc2)C[C@@H](C)O1 ZINC001437778797 1065605228 /nfs/dbraw/zinc/60/52/28/1065605228.db2.gz VBHAXQITLUMBEG-RTBURBONSA-N 0 0 457.592 4.751 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Br)c3ncccc23)cc(OC)c1OC(F)F ZINC001437784100 1065605293 /nfs/dbraw/zinc/60/52/93/1065605293.db2.gz XZRGGPJIBSREBJ-UHFFFAOYSA-N 0 0 453.239 4.868 20 0 JJADRN O=C(Nc1ccc(Br)c2ncccc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001437781823 1065605391 /nfs/dbraw/zinc/60/53/91/1065605391.db2.gz NFBKEYICNVAJPB-OAHLLOKOSA-N 0 0 456.315 4.627 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)Nc2ccc(Br)c3ncccc23)n1 ZINC001437779849 1065605415 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QKYMOAWFXCQZIF-SNVBAGLBSA-N 0 0 452.301 4.996 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001360595901 1065608363 /nfs/dbraw/zinc/60/83/63/1065608363.db2.gz JVPGXUUNVGUWAJ-QGZVFWFLSA-N 0 0 457.502 4.649 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)O1 ZINC001437792646 1065608585 /nfs/dbraw/zinc/60/85/85/1065608585.db2.gz GXLLUTLOGUNKGO-KOLCDFICSA-N 0 0 452.811 4.565 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1F ZINC001437797928 1065610081 /nfs/dbraw/zinc/61/00/81/1065610081.db2.gz RXJUSJCCJDHTGF-AWEZNQCLSA-N 0 0 459.905 4.981 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1 ZINC001437800137 1065610796 /nfs/dbraw/zinc/61/07/96/1065610796.db2.gz WAUIJNAEMVGQGM-UHFFFAOYSA-N 0 0 453.495 4.672 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC001437804049 1065611707 /nfs/dbraw/zinc/61/17/07/1065611707.db2.gz TWNBQCZHPRKIID-UHFFFAOYSA-N 0 0 454.368 4.959 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CCN1C(=O)OC(C)(C)C ZINC001437812668 1065612738 /nfs/dbraw/zinc/61/27/38/1065612738.db2.gz BPKZUXVZWGHUKJ-JEBQAFNWSA-N 0 0 457.384 4.671 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CCN1C(=O)OC(C)(C)C ZINC001437813087 1065613336 /nfs/dbraw/zinc/61/33/36/1065613336.db2.gz DUOCXEXDYGSMCK-DLBZAZTESA-N 0 0 475.611 4.654 20 0 JJADRN O=C(c1cccn(CC(F)(F)F)c1=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC001437814317 1065613357 /nfs/dbraw/zinc/61/33/57/1065613357.db2.gz HRMNUXLAZZLKOF-GOSISDBHSA-N 0 0 452.885 4.913 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001360597480 1065613858 /nfs/dbraw/zinc/61/38/58/1065613858.db2.gz LMKUUGDGNKETIJ-CTNGQTDRSA-N 0 0 454.640 4.874 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCN1C(=O)OC(C)(C)C ZINC001437815199 1065614399 /nfs/dbraw/zinc/61/43/99/1065614399.db2.gz OOGDWDLMQOVMEF-DOTOQJQBSA-N 0 0 453.370 4.697 20 0 JJADRN O=C(CCCCNC(=O)OCc1ccccc1)N1CC2(CC2)c2ccc(Br)cc21 ZINC001437824790 1065615859 /nfs/dbraw/zinc/61/58/59/1065615859.db2.gz MQEKDEVDCMXJJC-UHFFFAOYSA-N 0 0 457.368 4.924 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)CCCC(C)(C)C1 ZINC001437827833 1065616647 /nfs/dbraw/zinc/61/66/47/1065616647.db2.gz KLRPXUWSXRTHCY-MHZLTWQESA-N 0 0 453.579 4.705 20 0 JJADRN CC(C)(C)n1cc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)c(Br)n1 ZINC001437826282 1065616798 /nfs/dbraw/zinc/61/67/98/1065616798.db2.gz SGKVSBIIWCUHHX-UHFFFAOYSA-N 0 0 453.178 4.855 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001437839181 1065617353 /nfs/dbraw/zinc/61/73/53/1065617353.db2.gz NNYFGLBVYYAUQR-IFXJQAMLSA-N 0 0 456.391 4.534 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001437840143 1065617547 /nfs/dbraw/zinc/61/75/47/1065617547.db2.gz NPPPWJOGIKLWPC-FGZHOGPDSA-N 0 0 470.495 4.671 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001437839217 1065617577 /nfs/dbraw/zinc/61/75/77/1065617577.db2.gz NVHXSDVCDINVGR-QKMWGZLOSA-N 0 0 450.760 4.957 20 0 JJADRN Cc1ccc(I)cc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437839381 1065617707 /nfs/dbraw/zinc/61/77/07/1065617707.db2.gz QEYXCEWYWRMCMZ-SCLBCKFNSA-N 0 0 455.723 4.855 20 0 JJADRN C[C@H](NC(=O)CCC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccccc1 ZINC001437841628 1065618455 /nfs/dbraw/zinc/61/84/55/1065618455.db2.gz KRUKRXGACMQGSI-JTSKRJEESA-N 0 0 451.567 4.795 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)Nc3c(F)cc(F)cc3Oc3ccccc3C)ccc2c1=O ZINC001437853010 1065620074 /nfs/dbraw/zinc/62/00/74/1065620074.db2.gz KVEUTTGRLGGIAA-UHFFFAOYSA-N 0 0 451.429 4.753 20 0 JJADRN CC[C@H](C)c1cccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)c1 ZINC001437856567 1065620717 /nfs/dbraw/zinc/62/07/17/1065620717.db2.gz ZNHNYOCCNUYERZ-INIZCTEOSA-N 0 0 455.580 4.737 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC001437869474 1065622642 /nfs/dbraw/zinc/62/26/42/1065622642.db2.gz CXNCGYDBHVUCGF-JOCHJYFZSA-N 0 0 451.954 4.822 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC[C@H]1F ZINC001437871833 1065622716 /nfs/dbraw/zinc/62/27/16/1065622716.db2.gz VNXSUMQJMCNUDH-IEBWSBKVSA-N 0 0 470.570 4.678 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2cc(Cl)cc(F)c2Br)cc1 ZINC001360601209 1065624124 /nfs/dbraw/zinc/62/41/24/1065624124.db2.gz RIGFGHBAYGPBTF-UHFFFAOYSA-N 0 0 458.711 4.504 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001437876406 1065624171 /nfs/dbraw/zinc/62/41/71/1065624171.db2.gz VOWZJLHQRUQVLN-HSZRJFAPSA-N 0 0 451.014 4.876 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2nc(C3(C)CC3)ns2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001437876143 1065624294 /nfs/dbraw/zinc/62/42/94/1065624294.db2.gz TVYRYTSWHKMBES-MLGOLLRUSA-N 0 0 450.967 4.709 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)C1(c2ccc(I)cc2)CC1 ZINC001437885687 1065625116 /nfs/dbraw/zinc/62/51/16/1065625116.db2.gz OHVPKNFPRQKKEO-MRXNPFEDSA-N 0 0 455.242 4.748 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC001437891017 1065626011 /nfs/dbraw/zinc/62/60/11/1065626011.db2.gz CTSOTCAWLCDNRI-MBSDFSHPSA-N 0 0 452.938 4.852 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC001437891012 1065626070 /nfs/dbraw/zinc/62/60/70/1065626070.db2.gz CTSOTCAWLCDNRI-JPYJTQIMSA-N 0 0 452.938 4.852 20 0 JJADRN CC(C)COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 ZINC001360602233 1065626248 /nfs/dbraw/zinc/62/62/48/1065626248.db2.gz CWZCPWZUDMMKRW-UHFFFAOYSA-N 0 0 458.624 4.856 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cn2)ccc1Cl ZINC001437893585 1065626713 /nfs/dbraw/zinc/62/67/13/1065626713.db2.gz JNYXTUQHPFVIDU-UHFFFAOYSA-N 0 0 458.971 4.808 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C(C)C)C3CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001437895451 1065626734 /nfs/dbraw/zinc/62/67/34/1065626734.db2.gz MUNNSAZHYJENOQ-SKBVVQJISA-N 0 0 450.579 4.739 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC001360602741 1065627102 /nfs/dbraw/zinc/62/71/02/1065627102.db2.gz JLPGYFYYAXCNCB-NRFANRHFSA-N 0 0 456.608 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)(C(F)(F)F)CC1 ZINC001437897776 1065627466 /nfs/dbraw/zinc/62/74/66/1065627466.db2.gz OTNJJTBMFDDQRW-GVDBMIGSSA-N 0 0 458.908 4.674 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)Nc3ccc(COC4CCCC4)cc3)cc2CN1C(=O)OC(C)(C)C ZINC001360603160 1065627980 /nfs/dbraw/zinc/62/79/80/1065627980.db2.gz QDTNCOZCSLZJGJ-QGZVFWFLSA-N 0 0 454.571 4.734 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001437900729 1065628455 /nfs/dbraw/zinc/62/84/55/1065628455.db2.gz JHJFAZJAVZJTII-AVRDEDQJSA-N 0 0 466.603 4.999 20 0 JJADRN CC(C)(C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(OC(F)(F)F)cc1 ZINC001437902916 1065628462 /nfs/dbraw/zinc/62/84/62/1065628462.db2.gz CWLSLWGKJHXQDR-NRFANRHFSA-N 0 0 451.485 4.875 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Br)cc1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001437901867 1065628496 /nfs/dbraw/zinc/62/84/96/1065628496.db2.gz AFXGQFKYAHIFSD-UHFFFAOYSA-N 0 0 456.302 4.836 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)CCc2cnc3ccccc3c2)c1 ZINC001360603693 1065628685 /nfs/dbraw/zinc/62/86/85/1065628685.db2.gz VWYZGQHCRFUZGG-UHFFFAOYSA-N 0 0 451.592 4.759 20 0 JJADRN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001437906442 1065629383 /nfs/dbraw/zinc/62/93/83/1065629383.db2.gz HAQQBBODEWDSFB-VWLOTQADSA-N 0 0 450.579 4.831 20 0 JJADRN CCc1c(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)cnn1-c1ccc(Cl)cc1 ZINC001437909255 1065629940 /nfs/dbraw/zinc/62/99/40/1065629940.db2.gz JQMHSYJTHYKVOO-JOCHJYFZSA-N 0 0 453.970 4.714 20 0 JJADRN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001437914420 1065630024 /nfs/dbraw/zinc/63/00/24/1065630024.db2.gz CIQIBNXJMASOSF-GHTZIAJQSA-N 0 0 456.608 4.630 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001360605605 1065630603 /nfs/dbraw/zinc/63/06/03/1065630603.db2.gz BANKLNPAVDGWNA-ZEQRLZLVSA-N 0 0 497.728 4.995 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001437926409 1065630947 /nfs/dbraw/zinc/63/09/47/1065630947.db2.gz AHSPRLMOBBXURB-XLFHBGCDSA-N 0 0 455.704 4.820 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)CC2)cc1 ZINC001437916503 1065630980 /nfs/dbraw/zinc/63/09/80/1065630980.db2.gz FZCKDDFJUKHMRQ-ZEQRLZLVSA-N 0 0 454.636 4.519 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001437926393 1065630989 /nfs/dbraw/zinc/63/09/89/1065630989.db2.gz AHSPRLMOBBXURB-VVVCHXIZSA-N 0 0 455.704 4.820 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001360606461 1065631363 /nfs/dbraw/zinc/63/13/63/1065631363.db2.gz CHPFHHQCBYKITK-IIMDRIAPSA-N 0 0 473.593 4.707 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001360606460 1065631507 /nfs/dbraw/zinc/63/15/07/1065631507.db2.gz CHPFHHQCBYKITK-BMQTXXJKSA-N 0 0 473.593 4.707 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001360606463 1065631519 /nfs/dbraw/zinc/63/15/19/1065631519.db2.gz CHPFHHQCBYKITK-WKRCXCSHSA-N 0 0 473.593 4.707 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)CN1CCOCC1 ZINC001360606849 1065632668 /nfs/dbraw/zinc/63/26/68/1065632668.db2.gz RPGGGZSNPFAAFY-AQNXPRMDSA-N 0 0 478.106 4.674 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](CC)Cc3ccc(Br)cc3)CC2=O)cc1 ZINC001437947003 1065634409 /nfs/dbraw/zinc/63/44/09/1065634409.db2.gz JJSLZTNREZTMPB-FPOVZHCZSA-N 0 0 457.412 4.892 20 0 JJADRN CC(C)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001360608509 1065635398 /nfs/dbraw/zinc/63/53/98/1065635398.db2.gz PFIRRVKKCOYOLG-SFHVURJKSA-N 0 0 485.629 4.707 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001360608224 1065635409 /nfs/dbraw/zinc/63/54/09/1065635409.db2.gz NSEAGADLFAAHMG-AZUAARDMSA-N 0 0 499.656 4.750 20 0 JJADRN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)ccc1OC(F)F ZINC001437953432 1065635500 /nfs/dbraw/zinc/63/55/00/1065635500.db2.gz KAQKUHJVSUGFSO-UHFFFAOYSA-N 0 0 450.320 4.881 20 0 JJADRN NC(=O)COc1ccc(-c2ccc(CNC(=O)C[C@H](c3ccccc3)C(F)(F)F)cc2)cc1 ZINC001437959899 1065636272 /nfs/dbraw/zinc/63/62/72/1065636272.db2.gz QVAROYVMIJIQTG-JOCHJYFZSA-N 0 0 456.464 4.570 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001360608676 1065636386 /nfs/dbraw/zinc/63/63/86/1065636386.db2.gz RITKGWVVDONXEN-YZGWKJHDSA-N 0 0 490.048 4.622 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360608790 1065636919 /nfs/dbraw/zinc/63/69/19/1065636919.db2.gz UBEFSWRFKJMIKK-AQNXPRMDSA-N 0 0 493.656 4.978 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001437962888 1065636994 /nfs/dbraw/zinc/63/69/94/1065636994.db2.gz PPTRBXHHCITQDK-LJQANCHMSA-N 0 0 459.409 4.512 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)c1ccc(F)cc1 ZINC001437964399 1065637033 /nfs/dbraw/zinc/63/70/33/1065637033.db2.gz GWXUENQFZQRQTB-PXDATVDWSA-N 0 0 465.569 4.972 20 0 JJADRN CS(C)(=O)=Nc1ccccc1C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001437962001 1065637117 /nfs/dbraw/zinc/63/71/17/1065637117.db2.gz LCAZHJXZTBRETQ-MRXNPFEDSA-N 0 0 453.427 4.815 20 0 JJADRN COC[C@@](C)(NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)C(F)(F)F ZINC001437965279 1065637862 /nfs/dbraw/zinc/63/78/62/1065637862.db2.gz AVOYLOUFWOTBDB-QGZVFWFLSA-N 0 0 452.857 4.799 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(-c3ccccc3)s2)cc1S(=O)(=O)NC1CCCC1 ZINC001437966860 1065638872 /nfs/dbraw/zinc/63/88/72/1065638872.db2.gz LLPOHNNVJFZWED-UHFFFAOYSA-N 0 0 454.617 4.874 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)ccc1NC(=O)OC(C)(C)C ZINC001437966330 1065638923 /nfs/dbraw/zinc/63/89/23/1065638923.db2.gz NQKQWPBNFWHQCU-GOSISDBHSA-N 0 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CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(F)F)C1 ZINC001360629384 1065676433 /nfs/dbraw/zinc/67/64/33/1065676433.db2.gz XOSCNUNBNCFHJO-INIZCTEOSA-N 0 0 483.554 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC(C)(F)F)CC1 ZINC001360629204 1065676456 /nfs/dbraw/zinc/67/64/56/1065676456.db2.gz SCCKVAZWURSVDD-GOSISDBHSA-N 0 0 485.620 4.689 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1ccnc(F)c1 ZINC001438138134 1065677743 /nfs/dbraw/zinc/67/77/43/1065677743.db2.gz PCJMWRWCTNENGV-ZDUSSCGKSA-N 0 0 454.552 4.536 20 0 JJADRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1ccnc(F)c1 ZINC001438138129 1065677844 /nfs/dbraw/zinc/67/78/44/1065677844.db2.gz PCJMWRWCTNENGV-CYBMUJFWSA-N 0 0 454.552 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCc4c(F)cc(F)cc4C3)n2CCC(C)(F)F)C1 ZINC001360630479 1065677976 /nfs/dbraw/zinc/67/79/76/1065677976.db2.gz MVMXYEGMDKXUKF-KDYLLFBJSA-N 0 0 497.537 4.935 20 0 JJADRN 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O=C(COc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001438317587 1065708636 /nfs/dbraw/zinc/70/86/36/1065708636.db2.gz PNVASHWRVYHDLG-QFIPXVFZSA-N 0 0 454.448 4.673 20 0 JJADRN CN(C)c1ccc([S@](C)(=O)=NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001438321238 1065708991 /nfs/dbraw/zinc/70/89/91/1065708991.db2.gz CIIRYOQWBRYRSV-MNAQKMTRSA-N 0 0 459.612 4.782 20 0 JJADRN CN(C)c1ccc([S@](C)(=O)=NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)cc1 ZINC001438320899 1065709130 /nfs/dbraw/zinc/70/91/30/1065709130.db2.gz CBJMFUNXFNUJOG-DFXYEROKSA-N 0 0 451.995 4.756 20 0 JJADRN CC(=O)N1CC[C@H](OC(=O)c2ccc(I)c(Cl)c2)c2ccccc21 ZINC001438323663 1065710044 /nfs/dbraw/zinc/71/00/44/1065710044.db2.gz CNIUMEIFBGNUCQ-KRWDZBQOSA-N 0 0 455.679 4.599 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2[C@@H]2C[C@H]2CF)C1 ZINC001360640755 1065710561 /nfs/dbraw/zinc/71/05/61/1065710561.db2.gz YTTPFTBZIIDFCM-RDPOXOKHSA-N 0 0 475.584 4.668 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCc2cccc(F)c2F)C1 ZINC001360640826 1065710894 /nfs/dbraw/zinc/71/08/94/1065710894.db2.gz ZXZYQJHICQZPHC-FXAWDEMLSA-N 0 0 489.611 4.881 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CC3)n2CCc2cccc(F)c2F)C1 ZINC001360640827 1065710970 /nfs/dbraw/zinc/71/09/70/1065710970.db2.gz ZXZYQJHICQZPHC-PXNSSMCTSA-N 0 0 489.611 4.881 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CC1=O ZINC001438337326 1065711126 /nfs/dbraw/zinc/71/11/26/1065711126.db2.gz KMKHZIMTLDZEPA-RXFWQSSRSA-N 0 0 452.982 4.787 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2cccc(F)c2)C1 ZINC001360640889 1065711453 /nfs/dbraw/zinc/71/14/53/1065711453.db2.gz ANCCMNHVBSEDCY-OALUTQOASA-N 0 0 489.636 4.824 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(F)c2)CC1 ZINC001360641023 1065711926 /nfs/dbraw/zinc/71/19/26/1065711926.db2.gz BRPDPSRGTVDZKN-XMSQKQJNSA-N 0 0 487.620 4.837 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccccc2)CC1 ZINC001360641027 1065712023 /nfs/dbraw/zinc/71/20/23/1065712023.db2.gz BSLHGBNWHXFUEA-REWPJTCUSA-N 0 0 483.657 4.544 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2=CCCCC2)CC1 ZINC001360641104 1065712633 /nfs/dbraw/zinc/71/26/33/1065712633.db2.gz CVKZIACJTMTETP-DENIHFKCSA-N 0 0 473.662 4.802 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC001438343126 1065712867 /nfs/dbraw/zinc/71/28/67/1065712867.db2.gz DKBAYPYLAHEABL-UHSQPCAPSA-N 0 0 457.618 4.937 20 0 JJADRN CC(C)Oc1cc(NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)ccc1Br ZINC001438342406 1065713018 /nfs/dbraw/zinc/71/30/18/1065713018.db2.gz GJAIARLQLOQKCW-UHFFFAOYSA-N 0 0 458.349 4.810 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(O)c2)CC1 ZINC001360641210 1065713041 /nfs/dbraw/zinc/71/30/41/1065713041.db2.gz DXPGGNOJFXNUMS-GOSISDBHSA-N 0 0 469.630 4.819 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3nsnc3c2)C1 ZINC001360641395 1065713627 /nfs/dbraw/zinc/71/36/27/1065713627.db2.gz HRMGHYXACOBGHO-FUHWJXTLSA-N 0 0 499.685 4.659 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCOC(F)(F)F)C1 ZINC001360641578 1065713637 /nfs/dbraw/zinc/71/36/37/1065713637.db2.gz KRXVQIISGSFDHD-DOTOQJQBSA-N 0 0 475.556 4.602 20 0 JJADRN O=C(CCNC(=O)c1ccc(Br)cc1)Oc1ccc(-c2cccnc2)cc1Cl ZINC001438347843 1065714007 /nfs/dbraw/zinc/71/40/07/1065714007.db2.gz XTLJOMRQKZHDHJ-UHFFFAOYSA-N 0 0 459.727 4.890 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001360641689 1065714079 /nfs/dbraw/zinc/71/40/79/1065714079.db2.gz LQDMMYQZMUAVTG-NNMXDRDESA-N 0 0 475.678 4.616 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001438350925 1065714235 /nfs/dbraw/zinc/71/42/35/1065714235.db2.gz FCFBYFWZMXTHRK-FOIQADDNSA-N 0 0 450.398 4.628 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCC3)n2CCCOC2CCCC2)C1 ZINC001360641585 1065714339 /nfs/dbraw/zinc/71/43/39/1065714339.db2.gz KTMFULYGPOLYKK-UYAOXDASSA-N 0 0 461.651 4.634 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2nccs2)C1 ZINC001360641715 1065714758 /nfs/dbraw/zinc/71/47/58/1065714758.db2.gz LXJUQXBCYUPFGO-QZTJIDSGSA-N 0 0 476.691 4.696 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCCS2)CC1 ZINC001360641708 1065714773 /nfs/dbraw/zinc/71/47/73/1065714773.db2.gz LVRPYKAOUBVLPB-XLIONFOSSA-N 0 0 463.692 4.646 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)c(F)c2F)C1 ZINC001360641789 1065714830 /nfs/dbraw/zinc/71/48/30/1065714830.db2.gz NETSKLSPYQUXFU-YJBOKZPZSA-N 0 0 493.574 4.630 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CC3)n2CCCc2ccccc2F)C1 ZINC001360641882 1065715171 /nfs/dbraw/zinc/71/51/71/1065715171.db2.gz OXKNUIPHBMDEQI-RXVVDRJESA-N 0 0 471.621 4.742 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCc2nccs2)C1 ZINC001360642039 1065715227 /nfs/dbraw/zinc/71/52/27/1065715227.db2.gz POOXCTGTTKCWOZ-IEBWSBKVSA-N 0 0 474.675 4.765 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@H]3C)CC2=O)cc1 ZINC001438354298 1065715314 /nfs/dbraw/zinc/71/53/14/1065715314.db2.gz ZUDQSNIHYQRMTA-JRGCBEDISA-N 0 0 455.396 4.511 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCOc2cccc(F)c2)CC1 ZINC001360642211 1065715726 /nfs/dbraw/zinc/71/57/26/1065715726.db2.gz RGDXSZNWDDMLMA-KRWDZBQOSA-N 0 0 473.593 4.503 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001360642126 1065715843 /nfs/dbraw/zinc/71/58/43/1065715843.db2.gz QNFLVKUZODSXNR-QAPCUYQASA-N 0 0 494.562 4.747 20 0 JJADRN O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001438360445 1065715876 /nfs/dbraw/zinc/71/58/76/1065715876.db2.gz YPULLHMBDIXTHC-UHFFFAOYSA-N 0 0 452.226 4.773 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001438356466 1065715892 /nfs/dbraw/zinc/71/58/92/1065715892.db2.gz CIMCUKQTOLNRLC-YEWFCNIMSA-N 0 0 451.405 4.799 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1ccc(F)cc1I)[C@H]1CCO[C@@H]1C ZINC001438356225 1065716021 /nfs/dbraw/zinc/71/60/21/1065716021.db2.gz HAHWEDZFLAOCGL-XIKOKIGWSA-N 0 0 457.258 4.702 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCS2)C1 ZINC001360642082 1065715907 /nfs/dbraw/zinc/71/59/07/1065715907.db2.gz QEWAEOHICJUCIQ-FBBABVLZSA-N 0 0 489.661 4.643 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCO2)CC1 ZINC001360642278 1065716189 /nfs/dbraw/zinc/71/61/89/1065716189.db2.gz RXJKOVUGUFUATR-WIYYLYMNSA-N 0 0 489.686 4.629 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CC2CC(F)(F)C2)C1 ZINC001360642467 1065716265 /nfs/dbraw/zinc/71/62/65/1065716265.db2.gz UGVKJBHHJXEPEE-MAUKXSAKSA-N 0 0 453.578 4.721 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C)CCC2)CC1 ZINC001360642391 1065716370 /nfs/dbraw/zinc/71/63/70/1065716370.db2.gz SRVSLQDABFSWBV-AZUAARDMSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCO2)CC1 ZINC001360642275 1065716437 /nfs/dbraw/zinc/71/64/37/1065716437.db2.gz RXJKOVUGUFUATR-NQIIRXRSSA-N 0 0 489.686 4.629 20 0 JJADRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001438361483 1065716452 /nfs/dbraw/zinc/71/64/52/1065716452.db2.gz PNIPLHHHNILXJQ-RDJZCZTQSA-N 0 0 451.405 4.991 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(Cl)c2)C1 ZINC001360642624 1065716717 /nfs/dbraw/zinc/71/67/17/1065716717.db2.gz VWYVIDJZSNOMAQ-NQIIRXRSSA-N 0 0 497.043 4.705 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001360643119 1065717146 /nfs/dbraw/zinc/71/71/46/1065717146.db2.gz YEXQJJMENRFHGC-RXVVDRJESA-N 0 0 461.651 4.634 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCCCC2)C1 ZINC001360642832 1065717346 /nfs/dbraw/zinc/71/73/46/1065717346.db2.gz WZBAYTPQYIYSFY-SESVDKBCSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCCCC2)C1 ZINC001360642831 1065717396 /nfs/dbraw/zinc/71/73/96/1065717396.db2.gz WZBAYTPQYIYSFY-JBACZVJFSA-N 0 0 461.651 4.840 20 0 JJADRN CC(=O)Nc1cccc2c1CN(C(=O)Cc1csc(-c3cccc(C(F)(F)F)c3)n1)CC2 ZINC001438371254 1065717553 /nfs/dbraw/zinc/71/75/53/1065717553.db2.gz CKMJXKMDXDRLOL-UHFFFAOYSA-N 0 0 459.493 4.915 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2-c2ccc(C)s2)nc1I ZINC001438382393 1065717985 /nfs/dbraw/zinc/71/79/85/1065717985.db2.gz JIKQOGCTUBIXLJ-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN COc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1S(=O)(=O)N1CCCC1 ZINC001360643768 1065718167 /nfs/dbraw/zinc/71/81/67/1065718167.db2.gz ZQMDPUWHQMNJAB-UHFFFAOYSA-N 0 0 452.532 4.524 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CCCC2)c1ccc(Cl)cc1 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LIZFTSWZAVBMMI-OAHLLOKOSA-N 0 0 456.306 4.543 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001438535966 1065729542 /nfs/dbraw/zinc/72/95/42/1065729542.db2.gz GUKSNJXCCMKZOA-DEOSSOPVSA-N 0 0 459.924 4.720 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)cn1 ZINC001438535757 1065729617 /nfs/dbraw/zinc/72/96/17/1065729617.db2.gz CVNYQGQBCVVWOO-NRFANRHFSA-N 0 0 450.461 4.994 20 0 JJADRN C[C@@H]1CCC[C@H](C)N(C(=O)c2cn(C)nc2[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC001360663759 1065729616 /nfs/dbraw/zinc/72/96/16/1065729616.db2.gz NZAIVIPGBDDZMZ-URVUXULASA-N 0 0 452.599 4.587 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3(C)C)ccc2c1=O ZINC001438540598 1065729917 /nfs/dbraw/zinc/72/99/17/1065729917.db2.gz MQPCMVMBZWCXFR-SFHVURJKSA-N 0 0 459.468 4.549 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001360664776 1065730085 /nfs/dbraw/zinc/73/00/85/1065730085.db2.gz MRMBBXOTFYWDKF-HSZRJFAPSA-N 0 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O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCC2)C1 ZINC001438556714 1065731334 /nfs/dbraw/zinc/73/13/34/1065731334.db2.gz BFWFFWPTZBEFDD-FQEVSTJZSA-N 0 0 454.998 4.586 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(F)cc(N3CCOCC3)c2)c2ccccc2Cl)c1 ZINC001360673176 1065731461 /nfs/dbraw/zinc/73/14/61/1065731461.db2.gz FNMHURHXFWNAFJ-XMMPIXPASA-N 0 0 454.929 4.844 20 0 JJADRN Cc1ccc([C@H](NC(=O)C[C@]2(C)CC2(Cl)Cl)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360673234 1065731535 /nfs/dbraw/zinc/73/15/35/1065731535.db2.gz GUOYMSHOJRAHNN-NHCUHLMSSA-N 0 0 454.419 4.887 20 0 JJADRN C[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001438563740 1065731863 /nfs/dbraw/zinc/73/18/63/1065731863.db2.gz DEPDEGRJEILBMT-HNNXBMFYSA-N 0 0 453.421 4.879 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2F)no1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001438564717 1065731883 /nfs/dbraw/zinc/73/18/83/1065731883.db2.gz HJCJZRWXACGMIP-ZDUSSCGKSA-N 0 0 451.926 4.900 20 0 JJADRN CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001438565690 1065732415 /nfs/dbraw/zinc/73/24/15/1065732415.db2.gz LBLCDDMLFCPBKA-PKOBYXMFSA-N 0 0 458.961 4.501 20 0 JJADRN O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1cc(F)c(Br)c(Cl)c1 ZINC001438567016 1065732428 /nfs/dbraw/zinc/73/24/28/1065732428.db2.gz CIQGKDXINYJZSK-UHFFFAOYSA-N 0 0 454.649 4.723 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2ccccc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360674366 1065732658 /nfs/dbraw/zinc/73/26/58/1065732658.db2.gz WBBAXKMYBSKAHK-SANMLTNESA-N 0 0 451.588 4.772 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccc(Br)cn1)C1CCCCCC1 ZINC001438573457 1065732775 /nfs/dbraw/zinc/73/27/75/1065732775.db2.gz RYZSMKUFGDNEMQ-GOSISDBHSA-N 0 0 454.409 4.572 20 0 JJADRN O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001438573474 1065732816 /nfs/dbraw/zinc/73/28/16/1065732816.db2.gz UTIZAGZTTAQKAM-UHFFFAOYSA-N 0 0 452.383 4.634 20 0 JJADRN C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001438572810 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1065737532 /nfs/dbraw/zinc/73/75/32/1065737532.db2.gz UZRPYHUPVJNRHE-HNNXBMFYSA-N 0 0 450.377 4.975 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cccc(F)c1I ZINC001438628556 1065737466 /nfs/dbraw/zinc/73/74/66/1065737466.db2.gz WJCLYDPWBXBFDG-IBGZPJMESA-N 0 0 459.249 4.946 20 0 JJADRN O=C(COc1ccccc1C(=O)N1CCC[C@](F)(c2ccccc2)C1)Nc1ccccc1F ZINC001438625680 1065737517 /nfs/dbraw/zinc/73/75/17/1065737517.db2.gz RSKRILUIPUHLMH-AREMUKBSSA-N 0 0 450.485 4.944 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c(OC2CCCC2)c1 ZINC001438621720 1065737545 /nfs/dbraw/zinc/73/75/45/1065737545.db2.gz XYODSMLAOGBUNI-LBZQVFOQSA-N 0 0 457.592 4.532 20 0 JJADRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC001360696802 1065738524 /nfs/dbraw/zinc/73/85/24/1065738524.db2.gz OARRMWICUUDUJU-UHFFFAOYSA-N 0 0 452.436 4.911 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCO[C@@H]1C ZINC001438632647 1065738635 /nfs/dbraw/zinc/73/86/35/1065738635.db2.gz 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COc1ccc(-c2nc(COC(=O)[C@H]3CCC(=O)N(c4ccc(C)c(C)c4)C3)cs2)cc1 ZINC001360701725 1065740199 /nfs/dbraw/zinc/74/01/99/1065740199.db2.gz GBWARXBXEWKYGO-IBGZPJMESA-N 0 0 450.560 4.922 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(Br)c(F)c1C ZINC001360701462 1065740217 /nfs/dbraw/zinc/74/02/17/1065740217.db2.gz VAFSDLKDPJZOHU-UHFFFAOYSA-N 0 0 450.308 4.949 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3cccc(N4CCOC4=O)c3)s2)c(F)c1 ZINC001360701485 1065740285 /nfs/dbraw/zinc/74/02/85/1065740285.db2.gz VRKCVAWJFYBHOE-CYBMUJFWSA-N 0 0 455.511 4.714 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1 ZINC001360702108 1065740741 /nfs/dbraw/zinc/74/07/41/1065740741.db2.gz VQNSXTPRCAKJNA-IYBDPMFKSA-N 0 0 454.621 4.789 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)C(C)(C)Sc2ccc(Br)cc2)cc1 ZINC001360702089 1065740783 /nfs/dbraw/zinc/74/07/83/1065740783.db2.gz URTYTSOKXDPNDF-UHFFFAOYSA-N 0 0 451.386 4.857 20 0 JJADRN CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1nc(C)cs1 ZINC001360703609 1065741522 /nfs/dbraw/zinc/74/15/22/1065741522.db2.gz KVIAXZBBBXHUHH-HXOBKFHXSA-N 0 0 457.621 4.546 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@@H]3c3cncc(C)c3)cc2)c1 ZINC001438666452 1065741492 /nfs/dbraw/zinc/74/14/92/1065741492.db2.gz RGLQIPDGFXJNQP-HSZRJFAPSA-N 0 0 450.560 4.752 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@H]3c3cncc(C)c3)cc2)c1 ZINC001438666457 1065741544 /nfs/dbraw/zinc/74/15/44/1065741544.db2.gz RGLQIPDGFXJNQP-QHCPKHFHSA-N 0 0 450.560 4.752 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cn2)cc1 ZINC001360704183 1065742030 /nfs/dbraw/zinc/74/20/30/1065742030.db2.gz RXWWJQRQJXNHQV-UHFFFAOYSA-N 0 0 459.546 4.692 20 0 JJADRN CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001360706011 1065742711 /nfs/dbraw/zinc/74/27/11/1065742711.db2.gz RHHATXOWTHVPMY-KRWDZBQOSA-N 0 0 459.008 4.523 20 0 JJADRN COC[C@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1cccc(Br)c1 ZINC001438683289 1065742889 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RQRVUEVHGXTDAT-VGSWGCGISA-N 0 0 453.380 4.622 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001360711956 1065744667 /nfs/dbraw/zinc/74/46/67/1065744667.db2.gz RKTHJLPPPAXXRT-MRXNPFEDSA-N 0 0 453.461 4.702 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC001438704291 1065745023 /nfs/dbraw/zinc/74/50/23/1065745023.db2.gz STDOONVGVJYCLM-UHFFFAOYSA-N 0 0 450.438 4.505 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1cc(C(=O)OC)ccc1Cl ZINC001438698728 1065745039 /nfs/dbraw/zinc/74/50/39/1065745039.db2.gz RSOQANMYHCOFHD-UHFFFAOYSA-N 0 0 454.704 4.627 20 0 JJADRN COc1cccc(Cl)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC001438701588 1065745276 /nfs/dbraw/zinc/74/52/76/1065745276.db2.gz TWWJJPLDRYUHLH-UHFFFAOYSA-N 0 0 450.988 4.511 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)[C@H]3CCCN(C(=O)CC)C3)cc21 ZINC001360715879 1065745243 /nfs/dbraw/zinc/74/52/43/1065745243.db2.gz KEUOFMWZBNLWCC-SFHVURJKSA-N 0 0 454.567 4.796 20 0 JJADRN 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CCOc1cc(C(=O)Nc2ccc(OC(C)C)c(C)c2)ccc1OCC(=O)N1CCCCC1 ZINC001360730656 1065758158 /nfs/dbraw/zinc/75/81/58/1065758158.db2.gz QSHRBNHVRQYNRE-UHFFFAOYSA-N 0 0 454.567 4.825 20 0 JJADRN C[C@](O)(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(F)cc1 ZINC001360730938 1065758213 /nfs/dbraw/zinc/75/82/13/1065758213.db2.gz BFMNANKLZOQEFB-OFNKIYASSA-N 0 0 484.538 4.605 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001438857357 1065758781 /nfs/dbraw/zinc/75/87/81/1065758781.db2.gz UMAAOGHMEJRGTQ-INIZCTEOSA-N 0 0 459.222 4.809 20 0 JJADRN Cn1cc(CN(C(=O)c2ccccc2OC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC001438856845 1065758821 /nfs/dbraw/zinc/75/88/21/1065758821.db2.gz UQTIGBUYULOSOG-UHFFFAOYSA-N 0 0 454.246 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCCC[C@H](C3CCOCC3)C2)C1 ZINC001438856089 1065759009 /nfs/dbraw/zinc/75/90/09/1065759009.db2.gz QILWGQPTCBWZDA-ISJGIBHGSA-N 0 0 470.654 4.768 20 0 JJADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@@](C)(O)C1CC1 ZINC001360731426 1065759354 /nfs/dbraw/zinc/75/93/54/1065759354.db2.gz HTYJHRSFCKLREN-JBYIUTFZSA-N 0 0 458.569 4.527 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001438860479 1065759637 /nfs/dbraw/zinc/75/96/37/1065759637.db2.gz KNWSORAQQGFSTJ-MRJKTFCFSA-N 0 0 450.623 4.778 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c2ccccc2)cc1 ZINC001438864463 1065759876 /nfs/dbraw/zinc/75/98/76/1065759876.db2.gz XHXXJMUCFUTXQI-FTJBHMTQSA-N 0 0 452.558 4.610 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001360732007 1065759815 /nfs/dbraw/zinc/75/98/15/1065759815.db2.gz IGVXJALUZWTXNT-AWEZNQCLSA-N 0 0 474.512 4.553 20 0 JJADRN C[C@H](O)c1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)cc1 ZINC001360731745 1065760018 /nfs/dbraw/zinc/76/00/18/1065760018.db2.gz GMGGPOJAZVMWAE-WMZHIEFXSA-N 0 0 483.657 4.731 20 0 JJADRN COc1cc(C(=O)Nc2nn(C)cc2Cl)ccc1OCc1ccc(Br)s1 ZINC001438857665 1065759943 /nfs/dbraw/zinc/75/99/43/1065759943.db2.gz MRWMYJBVVXHWCJ-UHFFFAOYSA-N 0 0 456.749 4.737 20 0 JJADRN CO[C@]1(C(F)(F)F)CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)C1 ZINC001438870463 1065760305 /nfs/dbraw/zinc/76/03/05/1065760305.db2.gz VPKZBCBDLUOIRS-LJQANCHMSA-N 0 0 458.274 4.822 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)C1 ZINC001438870459 1065760511 /nfs/dbraw/zinc/76/05/11/1065760511.db2.gz VPKZBCBDLUOIRS-IBGZPJMESA-N 0 0 458.274 4.822 20 0 JJADRN O=C(NCCc1cc(Cl)cc(Br)c1)c1cc(COc2ccccc2F)on1 ZINC001438871363 1065760925 /nfs/dbraw/zinc/76/09/25/1065760925.db2.gz YXQDCZWOTJWMLB-UHFFFAOYSA-N 0 0 453.695 4.781 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCCC2)cc1 ZINC001360732936 1065761581 /nfs/dbraw/zinc/76/15/81/1065761581.db2.gz PRJHKNFYSULDDZ-INIZCTEOSA-N 0 0 458.404 4.908 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001360733430 1065761644 /nfs/dbraw/zinc/76/16/44/1065761644.db2.gz VUFZBOSXNFFHJQ-CTNGQTDRSA-N 0 0 485.673 4.709 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)N(C)[C@@H]3CCN(c4ccccc4F)C3=O)cs2)cc1 ZINC001360734065 1065761954 /nfs/dbraw/zinc/76/19/54/1065761954.db2.gz LBRMYZDBZIRNAG-JOCHJYFZSA-N 0 0 451.567 4.879 20 0 JJADRN C[C@@H](O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC001360733490 1065762089 /nfs/dbraw/zinc/76/20/89/1065762089.db2.gz WUJQNXPBWZZTHT-PBHICJAKSA-N 0 0 492.464 4.595 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)C2)nc1C ZINC001438887596 1065762503 /nfs/dbraw/zinc/76/25/03/1065762503.db2.gz XELOAOYWAABVAU-INIZCTEOSA-N 0 0 455.967 4.973 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CCN(c4ccccc4F)C3=O)cs2)cc1 ZINC001360734632 1065762672 /nfs/dbraw/zinc/76/26/72/1065762672.db2.gz ZVTBXWADHNBXPQ-NRFANRHFSA-N 0 0 453.539 4.616 20 0 JJADRN Cc1cc(Br)c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl ZINC001360734484 1065762698 /nfs/dbraw/zinc/76/26/98/1065762698.db2.gz WCWOSCUYNMZEMI-QGZVFWFLSA-N 0 0 456.167 4.942 20 0 JJADRN Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)CO2)cc1NC(=O)c1ccc(Br)cc1 ZINC001438891390 1065763139 /nfs/dbraw/zinc/76/31/39/1065763139.db2.gz AUZVPJUXLFABMF-IBGZPJMESA-N 0 0 459.384 4.945 20 0 JJADRN COc1ccc(OC)c(CC(=O)Oc2cc(C(C)(C)C)ccc2I)c1 ZINC001438899512 1065763871 /nfs/dbraw/zinc/76/38/71/1065763871.db2.gz KXTRBVDYZCAEHL-UHFFFAOYSA-N 0 0 454.304 4.754 20 0 JJADRN CCn1nnnc1-c1cccc(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)c1 ZINC001360735828 1065763892 /nfs/dbraw/zinc/76/38/92/1065763892.db2.gz YCLYXNDOGFIOHT-UHFFFAOYSA-N 0 0 450.543 4.847 20 0 JJADRN CCOC(=O)C1(CC(=O)N(c2cccc(Br)c2)C2CCCCC2)CCOCC1 ZINC001360735577 1065764078 /nfs/dbraw/zinc/76/40/78/1065764078.db2.gz UJCJBGKUWJIUKG-UHFFFAOYSA-N 0 0 452.389 4.865 20 0 JJADRN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCSC[C@@H]1c1ccccc1 ZINC001438905947 1065764393 /nfs/dbraw/zinc/76/43/93/1065764393.db2.gz BNRHAQAOJKMPBS-XMMPIXPASA-N 0 0 451.613 4.981 20 0 JJADRN C[C@H](O)c1ccc(Cn2c(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 ZINC001360736430 1065764482 /nfs/dbraw/zinc/76/44/82/1065764482.db2.gz AOWQOVZGJOICDZ-GHTZIAJQSA-N 0 0 471.646 4.513 20 0 JJADRN CNC(=O)N(C)c1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 ZINC001438909956 1065764881 /nfs/dbraw/zinc/76/48/81/1065764881.db2.gz NQLXPBVQJSDTGQ-UHFFFAOYSA-N 0 0 455.312 4.664 20 0 JJADRN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001438909115 1065764910 /nfs/dbraw/zinc/76/49/10/1065764910.db2.gz PIPGTTLALGEQIQ-QHCPKHFHSA-N 0 0 451.510 4.525 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCCc1cnn(C)c1 ZINC001360736539 1065765034 /nfs/dbraw/zinc/76/50/34/1065765034.db2.gz CFUDTCJTGFCJGE-QGZVFWFLSA-N 0 0 483.979 4.608 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1nccs1 ZINC001360736521 1065765159 /nfs/dbraw/zinc/76/51/59/1065765159.db2.gz CAMLTFINSJYNBI-CQSZACIVSA-N 0 0 458.950 4.747 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001438911693 1065765518 /nfs/dbraw/zinc/76/55/18/1065765518.db2.gz VOYZCFYFRCKLJQ-NPMXOYFQSA-N 0 0 450.888 4.734 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)cs1 ZINC001438913770 1065765691 /nfs/dbraw/zinc/76/56/91/1065765691.db2.gz DEEXUPXPTTWLLT-UHFFFAOYSA-N 0 0 457.907 4.806 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360736933 1065766908 /nfs/dbraw/zinc/76/69/08/1065766908.db2.gz BBKWGTMRBZBGMY-JFSTXAPLSA-N 0 0 460.594 4.624 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCc1nccs1 ZINC001360737637 1065767299 /nfs/dbraw/zinc/76/72/99/1065767299.db2.gz GRCYYGLSIRHZFY-OAHLLOKOSA-N 0 0 490.008 4.670 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCOC2)n1CCc1ccc(Cl)s1 ZINC001360737664 1065767327 /nfs/dbraw/zinc/76/73/27/1065767327.db2.gz MNDDINSHWUYYDI-HOCLYGCPSA-N 0 0 450.967 4.740 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC001438928480 1065767795 /nfs/dbraw/zinc/76/77/95/1065767795.db2.gz OPVOKGZVXUTJBP-XMMPIXPASA-N 0 0 452.942 4.587 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)c2ccco2)n1CC[S@](=O)C(C)(C)C ZINC001360737767 1065767841 /nfs/dbraw/zinc/76/78/41/1065767841.db2.gz NLZORAVUAAYBDL-DLKQWWBSSA-N 0 0 462.591 4.895 20 0 JJADRN COc1cccc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1OC(F)F ZINC001360738150 1065768033 /nfs/dbraw/zinc/76/80/33/1065768033.db2.gz OXSVGOLFUDWYRM-HNNXBMFYSA-N 0 0 453.869 4.546 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CSCCS1 ZINC001360738010 1065768076 /nfs/dbraw/zinc/76/80/76/1065768076.db2.gz JFPCOZCVFJXBCT-XJKSGUPXSA-N 0 0 464.554 4.794 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1)N1CCOCC1 ZINC001360738220 1065768438 /nfs/dbraw/zinc/76/84/38/1065768438.db2.gz KUHKKIFEFZVKRS-SGIRGMQISA-N 0 0 485.648 4.707 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2nccs2)n1CCc1ccsc1 ZINC001360738207 1065768666 /nfs/dbraw/zinc/76/86/66/1065768666.db2.gz KOTVSXMRDFXWTJ-MRXNPFEDSA-N 0 0 457.600 4.997 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCc2cnccn2)n1Cc1ccc(Cl)s1 ZINC001360738524 1065769046 /nfs/dbraw/zinc/76/90/46/1065769046.db2.gz MXWCQLUVNKUSIH-HNNXBMFYSA-N 0 0 472.977 4.789 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(F)(F)F)n1C[C@@](C)(O)C1CCCCC1 ZINC001360738683 1065769144 /nfs/dbraw/zinc/76/91/44/1065769144.db2.gz RTSOOQYPMJJCML-QVKFZJNVSA-N 0 0 458.500 4.887 20 0 JJADRN C[C@@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001438937083 1065769180 /nfs/dbraw/zinc/76/91/80/1065769180.db2.gz VNRZTJKPDOGHSA-HNNXBMFYSA-N 0 0 450.926 4.749 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCSC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360738868 1065769645 /nfs/dbraw/zinc/76/96/45/1065769645.db2.gz SSRSRXBOOSAFLI-MJGOQNOKSA-N 0 0 493.649 4.756 20 0 JJADRN COC(=O)c1cnc(CC2CCN(C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)CC2)s1 ZINC001438938786 1065769734 /nfs/dbraw/zinc/76/97/34/1065769734.db2.gz XDTGWEYBFFHVQM-CQSZACIVSA-N 0 0 454.514 4.923 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cnccn2)n1CC(C)(C)C(F)(F)F ZINC001360738792 1065769908 /nfs/dbraw/zinc/76/99/08/1065769908.db2.gz OAVPXLZFFXKZEC-AWEZNQCLSA-N 0 0 452.456 4.572 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)c1cccnc1N1CCOCC1 ZINC001438938100 1065769830 /nfs/dbraw/zinc/76/98/30/1065769830.db2.gz JMTSKJHELOEMIB-UHFFFAOYSA-N 0 0 455.917 4.775 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccsc1 ZINC001360739294 1065770257 /nfs/dbraw/zinc/77/02/57/1065770257.db2.gz RVVVPLACKNYRGM-MRXNPFEDSA-N 0 0 460.575 4.502 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001438939724 1065770425 /nfs/dbraw/zinc/77/04/25/1065770425.db2.gz LOXKTGLEQBDIKP-FCHUYYIVSA-N 0 0 459.489 4.965 20 0 JJADRN CCc1ccccc1Oc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)nc2)c(Cl)c1 ZINC001438947273 1065770791 /nfs/dbraw/zinc/77/07/91/1065770791.db2.gz LBMHOXMGBIGNJY-UHFFFAOYSA-N 0 0 458.967 4.765 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)C2CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360739553 1065771284 /nfs/dbraw/zinc/77/12/84/1065771284.db2.gz YKALQCARIARKMF-OAHLLOKOSA-N 0 0 479.478 4.735 20 0 JJADRN COc1cccc([C@H]2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)C2(C)C)c1 ZINC001438962016 1065771480 /nfs/dbraw/zinc/77/14/80/1065771480.db2.gz DETLDQGWYJGCIU-JOCHJYFZSA-N 0 0 456.533 4.620 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001438952455 1065771578 /nfs/dbraw/zinc/77/15/78/1065771578.db2.gz ZMZXNIBTXXJJIC-UHFFFAOYSA-N 0 0 456.505 4.768 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3cc4cc(Br)ccc4o3)cc2)C[C@H](C)O1 ZINC001438963476 1065771989 /nfs/dbraw/zinc/77/19/89/1065771989.db2.gz FSCOBSHKIPDTHN-IYBDPMFKSA-N 0 0 457.368 4.735 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccsc2)n1CCCc1cnn(C)c1 ZINC001360739827 1065772034 /nfs/dbraw/zinc/77/20/34/1065772034.db2.gz XNFVVTKHBRCZMF-KRWDZBQOSA-N 0 0 454.575 4.621 20 0 JJADRN Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(Cl)cc3Oc3ccc(F)c(C)c3)nc2n1 ZINC001438967304 1065772381 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COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(Cl)c(Br)cc1F ZINC001439199601 1065797633 /nfs/dbraw/zinc/79/76/33/1065797633.db2.gz CTAQBULJLJNIBE-MRXNPFEDSA-N 0 0 454.679 4.502 20 0 JJADRN CCOC(=O)Cc1cccc(NC(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)c1 ZINC001360752089 1065798268 /nfs/dbraw/zinc/79/82/68/1065798268.db2.gz HUFGQKUZSAQTBA-OAQYLSRUSA-N 0 0 456.514 4.545 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(-c3c(F)cccc3F)no2)c(Br)cc1F ZINC001360752382 1065798455 /nfs/dbraw/zinc/79/84/55/1065798455.db2.gz MTROTKZIBDWYDE-UHFFFAOYSA-N 0 0 455.186 4.560 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC001439205143 1065798543 /nfs/dbraw/zinc/79/85/43/1065798543.db2.gz VNNQWTPSASWPHU-NTKDMRAZSA-N 0 0 457.526 4.691 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CCN(C)CC(F)(F)F ZINC001360753345 1065798807 /nfs/dbraw/zinc/79/88/07/1065798807.db2.gz BGILLBXSKKGWNZ-CYBMUJFWSA-N 0 0 487.876 4.954 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc2cc(Br)ccc2s1 ZINC001439206204 1065798840 /nfs/dbraw/zinc/79/88/40/1065798840.db2.gz SMSQMAQKVAFFGO-INIZCTEOSA-N 0 0 458.333 4.924 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1 ZINC001439206019 1065798953 /nfs/dbraw/zinc/79/89/53/1065798953.db2.gz YJQZHWMDVRMSFJ-HSZRJFAPSA-N 0 0 451.995 4.844 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCCO2)n1CCn1cc(Cl)cn1 ZINC001360753590 1065799879 /nfs/dbraw/zinc/79/98/79/1065799879.db2.gz FURFOGVMAVTAAV-OXJNMPFZSA-N 0 0 479.412 4.627 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001439219520 1065799972 /nfs/dbraw/zinc/79/99/72/1065799972.db2.gz QQLAXICTQKDSPP-VQIMIIECSA-N 0 0 475.033 4.694 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360754000 1065802239 /nfs/dbraw/zinc/80/22/39/1065802239.db2.gz MHSGPRMZETZHHH-QRQCRPRQSA-N 0 0 481.428 4.502 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N(C)c3cc(CNC(=O)OC(C)(C)C)ccn3)cc2c1 ZINC001439229065 1065802375 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OUCICJBLKKPDAL-UHFFFAOYSA-N 0 0 453.568 4.548 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCCSC1 ZINC001360754388 1065804523 /nfs/dbraw/zinc/80/45/23/1065804523.db2.gz SXFDDJXIPAPFNX-IAGOWNOFSA-N 0 0 461.035 4.585 20 0 JJADRN CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439249427 1065804474 /nfs/dbraw/zinc/80/44/74/1065804474.db2.gz MZQJDVPOYGFFHW-FQEVSTJZSA-N 0 0 456.587 4.651 20 0 JJADRN CCN(C(=O)Cc1sc(SC2CCCC2)nc1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439253185 1065805221 /nfs/dbraw/zinc/80/52/21/1065805221.db2.gz VDRMXNKRCAXXOU-MRXNPFEDSA-N 0 0 453.674 4.887 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360754613 1065806411 /nfs/dbraw/zinc/80/64/11/1065806411.db2.gz YFGDXVAYKVLCLN-KRWDZBQOSA-N 0 0 460.022 4.709 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)CC1=O ZINC001439269361 1065806815 /nfs/dbraw/zinc/80/68/15/1065806815.db2.gz AMKOBBFPBJJCKS-WBVHZDCISA-N 0 0 450.489 4.927 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360754577 1065806776 /nfs/dbraw/zinc/80/67/76/1065806776.db2.gz XNHGBIWHQXHRNP-WCJKSRRJSA-N 0 0 462.019 4.716 20 0 JJADRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270597 1065807557 /nfs/dbraw/zinc/80/75/57/1065807557.db2.gz PZRVBYRHEKGFCL-RTBURBONSA-N 0 0 463.500 4.671 20 0 JJADRN O=C(CNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC001360755319 1065808058 /nfs/dbraw/zinc/80/80/58/1065808058.db2.gz WROBGRAKOOPVBR-UHFFFAOYSA-N 0 0 454.954 4.945 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001360755377 1065808224 /nfs/dbraw/zinc/80/82/24/1065808224.db2.gz CKFSZQBMHDQDOP-DYESRHJHSA-N 0 0 474.049 4.859 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCOc1ncccc1F ZINC001360755438 1065808996 /nfs/dbraw/zinc/80/89/96/1065808996.db2.gz CWXKVIJEFGRAOR-DLBZAZTESA-N 0 0 489.979 4.688 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(-c2cccc(Cl)c2F)no1 ZINC001439274248 1065809438 /nfs/dbraw/zinc/80/94/38/1065809438.db2.gz QOVOWGVYCGMLBV-CRAIPNDOSA-N 0 0 467.850 4.927 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001360755611 1065809463 /nfs/dbraw/zinc/80/94/63/1065809463.db2.gz GPGGRUBMLBKNKD-ROUUACIJSA-N 0 0 495.089 4.911 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Br)cc2cccnc21 ZINC001439275659 1065809560 /nfs/dbraw/zinc/80/95/60/1065809560.db2.gz WFYYNBHAIKOPOP-RTBURBONSA-N 0 0 478.312 4.790 20 0 JJADRN Cc1cc(C)c(CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001439274247 1065809823 /nfs/dbraw/zinc/80/98/23/1065809823.db2.gz PBKSXNMJPRDGRE-SJLPKXTDSA-N 0 0 467.448 4.926 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC(C)(C)c1cccs1 ZINC001360755782 1065810207 /nfs/dbraw/zinc/81/02/07/1065810207.db2.gz JGHVUKRBLMMXGV-GYCJOSAFSA-N 0 0 488.057 4.813 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001360755683 1065810350 /nfs/dbraw/zinc/81/03/50/1065810350.db2.gz HWBKNSWMYWRNSB-KURKYZTESA-N 0 0 455.006 4.816 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360755773 1065810390 /nfs/dbraw/zinc/81/03/90/1065810390.db2.gz JDHVKVYJVZFYCU-KZFRKFNSSA-N 0 0 492.039 4.979 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3nccc(-c4ccc(F)c(F)c4)n3)c(=O)oc2c1 ZINC001439277500 1065810337 /nfs/dbraw/zinc/81/03/37/1065810337.db2.gz DTSQFEBQALHNGM-UHFFFAOYSA-N 0 0 450.445 4.627 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360755809 1065810737 /nfs/dbraw/zinc/81/07/37/1065810737.db2.gz JPRYDQPLBRUMBI-ABSDTBQOSA-N 0 0 474.049 4.859 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@@H](C(=O)OC)c3cccc4ccccc43)CC2=O)cc1 ZINC001439285172 1065811161 /nfs/dbraw/zinc/81/11/61/1065811161.db2.gz FDYXNPVQTWYTJH-QFQXNSOFSA-N 0 0 458.558 4.566 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C(=O)OC)c3cccc4ccccc43)CC2=O)cc1 ZINC001439285170 1065811209 /nfs/dbraw/zinc/81/12/09/1065811209.db2.gz FDYXNPVQTWYTJH-HFZDXXHNSA-N 0 0 458.558 4.566 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cccc2ccccc21 ZINC001439287459 1065811630 /nfs/dbraw/zinc/81/16/30/1065811630.db2.gz MGRPASDXWCLYKF-NRFANRHFSA-N 0 0 453.420 4.688 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)c1ccccc1OC(F)(F)F ZINC001439290081 1065811726 /nfs/dbraw/zinc/81/17/26/1065811726.db2.gz HMSDGXHQZJWJHS-FOIQADDNSA-N 0 0 453.457 4.815 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)c1ccccc1OC(F)(F)F ZINC001439290098 1065811736 /nfs/dbraw/zinc/81/17/36/1065811736.db2.gz HMSDGXHQZJWJHS-MGPUTAFESA-N 0 0 453.457 4.815 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCn2cccn2)n1C[C@H]1CCCCS1 ZINC001360755994 1065812255 /nfs/dbraw/zinc/81/22/55/1065812255.db2.gz MROZXUZNMSUZLZ-YLJYHZDGSA-N 0 0 461.035 4.690 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CC(=O)NC1CCCCC1 ZINC001360755941 1065812370 /nfs/dbraw/zinc/81/23/70/1065812370.db2.gz LWONCGFSKHLWEG-KURKYZTESA-N 0 0 460.022 4.755 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001439308127 1065812884 /nfs/dbraw/zinc/81/28/84/1065812884.db2.gz VCVDCVANIBNHAQ-NTMALXAHSA-N 0 0 453.535 4.729 20 0 JJADRN O=C(NCc1cc(Br)ccc1Cl)c1nc(NCc2ccco2)ncc1Cl ZINC001439308273 1065813669 /nfs/dbraw/zinc/81/36/69/1065813669.db2.gz QJANRMZRPNLLNG-UHFFFAOYSA-N 0 0 456.127 4.681 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccc(F)cc1F ZINC001439310390 1065813953 /nfs/dbraw/zinc/81/39/53/1065813953.db2.gz HSSMSSQIJXIDIV-OAQYLSRUSA-N 0 0 458.436 4.502 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCSCCCO ZINC001360756438 1065814262 /nfs/dbraw/zinc/81/42/62/1065814262.db2.gz UNVXECBKEPZJOG-OAHLLOKOSA-N 0 0 490.979 4.886 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cccs2)n1C[C@]1(O)CCSC1 ZINC001360756295 1065814366 /nfs/dbraw/zinc/81/43/66/1065814366.db2.gz RPWRLVAIAGOORI-OPAMFIHVSA-N 0 0 479.071 4.680 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCSCCCO ZINC001360756498 1065814944 /nfs/dbraw/zinc/81/49/44/1065814944.db2.gz VLYVDAUHHPHGLZ-SQNIBIBYSA-N 0 0 453.052 4.669 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001360756507 1065815149 /nfs/dbraw/zinc/81/51/49/1065815149.db2.gz VQELFVSFHGLGLB-IUVQAAGXSA-N 0 0 454.949 4.978 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cccc2ccccc21 ZINC001439327264 1065815167 /nfs/dbraw/zinc/81/51/67/1065815167.db2.gz YBZVYEVXXPHNFK-RDGATRHJSA-N 0 0 450.604 4.649 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCSCCCO ZINC001360756495 1065815366 /nfs/dbraw/zinc/81/53/66/1065815366.db2.gz VLYVDAUHHPHGLZ-BZSNNMDCSA-N 0 0 453.052 4.669 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)c1 ZINC001439338554 1065815713 /nfs/dbraw/zinc/81/57/13/1065815713.db2.gz IBBZAKMQDCEHLH-UHFFFAOYSA-N 0 0 459.344 4.531 20 0 JJADRN C[C@@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 ZINC001360756841 1065815707 /nfs/dbraw/zinc/81/57/07/1065815707.db2.gz ATTCLPHZLBWITP-SNVBAGLBSA-N 0 0 451.670 4.815 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCCOC(F)F ZINC001360756524 1065815780 /nfs/dbraw/zinc/81/57/80/1065815780.db2.gz VZIUYHMWGGRTDU-FUHWJXTLSA-N 0 0 484.975 4.954 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001439336785 1065815859 /nfs/dbraw/zinc/81/58/59/1065815859.db2.gz BDOMCGSUSNKRKW-IPELMVKDSA-N 0 0 458.521 4.568 20 0 JJADRN Cc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1C(F)(F)F ZINC001439345609 1065817407 /nfs/dbraw/zinc/81/74/07/1065817407.db2.gz XFAKIESXCACVBS-KBPBESRZSA-N 0 0 454.411 4.932 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2CCc3c2cccc3F)nnn1Cc1cccc(Br)c1 ZINC001439343491 1065817448 /nfs/dbraw/zinc/81/74/48/1065817448.db2.gz HEPKKCYYQAVHFK-LJQANCHMSA-N 0 0 457.347 4.598 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@H](Oc3cc(Cl)ccc3Cl)c3ccccc3)O2)CO1 ZINC001439347308 1065817879 /nfs/dbraw/zinc/81/78/79/1065817879.db2.gz KFQOKPANIUKEMG-AGWQHXNASA-N 0 0 450.362 4.956 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001439351839 1065818776 /nfs/dbraw/zinc/81/87/76/1065818776.db2.gz CSRHRRGRGFNYOC-QMTHXVAHSA-N 0 0 456.383 4.589 20 0 JJADRN O=C(NCCc1ccnn1-c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001439356566 1065819424 /nfs/dbraw/zinc/81/94/24/1065819424.db2.gz BMVXJEZKHCFXAY-UHFFFAOYSA-N 0 0 454.317 4.734 20 0 JJADRN CCOC(=O)[C@](C)(NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1ccccc1 ZINC001439353994 1065819535 /nfs/dbraw/zinc/81/95/35/1065819535.db2.gz BISMJJHPCXKLLU-XMMPIXPASA-N 0 0 454.523 4.656 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCOC(C)(C)C ZINC001360757630 1065819525 /nfs/dbraw/zinc/81/95/25/1065819525.db2.gz FIOCPGPHTKPUER-NQIIRXRSSA-N 0 0 486.016 4.939 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001439359115 1065819862 /nfs/dbraw/zinc/81/98/62/1065819862.db2.gz NYMDJCONACQNPG-NTKDMRAZSA-N 0 0 455.396 4.964 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CC(F)(F)F ZINC001360757704 1065820061 /nfs/dbraw/zinc/82/00/61/1065820061.db2.gz GRZDCSXGDFUBEO-ZBFHGGJFSA-N 0 0 458.912 4.887 20 0 JJADRN O=C(Nc1cc(Br)c2ccccc2c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001439363383 1065820860 /nfs/dbraw/zinc/82/08/60/1065820860.db2.gz YIXWUDDZYBCHRE-KRWDZBQOSA-N 0 0 455.327 4.771 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(Br)c3ccccc3c2)CC1=O ZINC001439363127 1065820886 /nfs/dbraw/zinc/82/08/86/1065820886.db2.gz WCMRXPXUQDIDFD-MRXNPFEDSA-N 0 0 453.336 4.993 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1CC1 ZINC001360757790 1065820871 /nfs/dbraw/zinc/82/08/71/1065820871.db2.gz IAUBLMWIHJYDOO-PKOBYXMFSA-N 0 0 474.049 4.860 20 0 JJADRN C[C@]1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCOC2(CCC2)C1 ZINC001439374941 1065821386 /nfs/dbraw/zinc/82/13/86/1065821386.db2.gz KZGOSXJIKRCWOF-JTSKRJEESA-N 0 0 453.410 4.701 20 0 JJADRN C[C@H](NC(=O)c1cncc(I)c1)c1cccc(SC(F)(F)F)c1 ZINC001439375228 1065821537 /nfs/dbraw/zinc/82/15/37/1065821537.db2.gz SDVAJFINLZBMNF-VIFPVBQESA-N 0 0 452.239 4.789 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CO)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360757978 1065821512 /nfs/dbraw/zinc/82/15/12/1065821512.db2.gz KSGJAKFEHDNQMU-BVZFJXPGSA-N 0 0 477.049 4.612 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCc1ccn(C)n1 ZINC001360758049 1065822101 /nfs/dbraw/zinc/82/21/01/1065822101.db2.gz LZYUBIQQAWALRK-GOSISDBHSA-N 0 0 487.048 4.832 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001360758057 1065822161 /nfs/dbraw/zinc/82/21/61/1065822161.db2.gz MDAAAYDLVCJNDE-BXKMTCNYSA-N 0 0 495.089 4.723 20 0 JJADRN C[C@@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1cccc(SC(F)(F)F)c1 ZINC001439376549 1065822272 /nfs/dbraw/zinc/82/22/72/1065822272.db2.gz XEPGPZAWIRYCPP-CYBMUJFWSA-N 0 0 453.461 4.793 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H]1CCCSC1 ZINC001360758036 1065822282 /nfs/dbraw/zinc/82/22/82/1065822282.db2.gz LRHCJQFSYUWVSV-PKOBYXMFSA-N 0 0 492.089 4.697 20 0 JJADRN CCc1noc(COCC(=O)N(C)Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)n1 ZINC001439390580 1065822776 /nfs/dbraw/zinc/82/27/76/1065822776.db2.gz QMEIRUJGWHRRPZ-UHFFFAOYSA-N 0 0 450.322 4.906 20 0 JJADRN COC1(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)CCOCC1 ZINC001439389057 1065822991 /nfs/dbraw/zinc/82/29/91/1065822991.db2.gz KTIHDJQVKNEYLR-UHFFFAOYSA-N 0 0 452.320 4.535 20 0 JJADRN O=C(N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(OCC(F)F)ccn1 ZINC001439392101 1065823365 /nfs/dbraw/zinc/82/33/65/1065823365.db2.gz NDGUWXYUGWFLNQ-INIZCTEOSA-N 0 0 453.283 4.664 20 0 JJADRN O=C(N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(OCC(F)F)ccn1 ZINC001439392103 1065823657 /nfs/dbraw/zinc/82/36/57/1065823657.db2.gz NDGUWXYUGWFLNQ-MRXNPFEDSA-N 0 0 453.283 4.664 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001360758161 1065823524 /nfs/dbraw/zinc/82/35/24/1065823524.db2.gz NVMGVYSNWQWNHA-RBUKOAKNSA-N 0 0 495.089 4.911 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1SC ZINC001439397434 1065824282 /nfs/dbraw/zinc/82/42/82/1065824282.db2.gz XWUKTILAURWEGE-OAQYLSRUSA-N 0 0 453.482 4.802 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC(C)(C)C1CC1 ZINC001360758351 1065824158 /nfs/dbraw/zinc/82/41/58/1065824158.db2.gz QWPKRZODYGNAFW-JXFKEZNVSA-N 0 0 481.062 4.521 20 0 JJADRN CC(C)(C)[S@](C)(=O)=NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001439414755 1065824737 /nfs/dbraw/zinc/82/47/37/1065824737.db2.gz DJGGVMBVCLXSFJ-HKBQPEDESA-N 0 0 456.486 4.759 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2ncc(Br)cn2)cc1Br ZINC001439405372 1065825019 /nfs/dbraw/zinc/82/50/19/1065825019.db2.gz YODNVUYOYZKUAL-INIZCTEOSA-N 0 0 453.178 4.986 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CC(F)(F)F ZINC001360758411 1065825079 /nfs/dbraw/zinc/82/50/79/1065825079.db2.gz RULYROZXSKTDOQ-OAHLLOKOSA-N 0 0 485.938 4.615 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360758734 1065825590 /nfs/dbraw/zinc/82/55/90/1065825590.db2.gz FSUAQVPVHOWNAQ-UHFFFAOYSA-N 0 0 459.291 4.824 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001360758655 1065825658 /nfs/dbraw/zinc/82/56/58/1065825658.db2.gz UMVLTGDQDGRISU-MRXNPFEDSA-N 0 0 481.975 4.708 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1=CCCCC1 ZINC001360758729 1065825795 /nfs/dbraw/zinc/82/57/95/1065825795.db2.gz UYWUOFAYWZTHAY-KRWDZBQOSA-N 0 0 479.046 4.585 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCC(=O)NC(C)(C)C ZINC001360758797 1065826313 /nfs/dbraw/zinc/82/63/13/1065826313.db2.gz VDAMIDDPWWBNFC-BXKMTCNYSA-N 0 0 492.089 4.710 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001439426810 1065826452 /nfs/dbraw/zinc/82/64/52/1065826452.db2.gz AVVZRAZFLBQRKZ-UHFFFAOYSA-N 0 0 458.337 4.542 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCC(=O)NC(C)(C)C ZINC001360758799 1065826471 /nfs/dbraw/zinc/82/64/71/1065826471.db2.gz VDAMIDDPWWBNFC-OSPHWJPCSA-N 0 0 492.089 4.710 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001360759071 1065827686 /nfs/dbraw/zinc/82/76/86/1065827686.db2.gz XTYOBXAZJPPWOG-KBMIEXCESA-N 0 0 487.048 4.592 20 0 JJADRN Cc1ccnc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c1C(=O)c1ccccc1F ZINC001439436502 1065828553 /nfs/dbraw/zinc/82/85/53/1065828553.db2.gz PWIJQJGFMZPMFO-UHFFFAOYSA-N 0 0 459.521 4.819 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001360759276 1065828612 /nfs/dbraw/zinc/82/86/12/1065828612.db2.gz NDXJQOUNCWOLGW-UHFFFAOYSA-N 0 0 455.400 4.892 20 0 JJADRN C[S@@](=O)(=NC(=O)CCc1cc(Br)cs1)c1cccc(Br)c1 ZINC001439441615 1065829594 /nfs/dbraw/zinc/82/95/94/1065829594.db2.gz XGTHSPDJDGLLMN-NRFANRHFSA-N 0 0 451.205 4.889 20 0 JJADRN C[S@@](=O)(=NC(=O)CCc1ncc(-c2ccccc2F)o1)c1cccc(Br)c1 ZINC001439441777 1065829907 /nfs/dbraw/zinc/82/99/07/1065829907.db2.gz YBYZJBWMPRGMDX-MHZLTWQESA-N 0 0 451.317 4.859 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCc1ccccn1 ZINC001360759865 1065830040 /nfs/dbraw/zinc/83/00/40/1065830040.db2.gz CTVOJOHXECZVDP-ZWKOTPCHSA-N 0 0 455.990 4.713 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F)c1cccs1 ZINC001439454837 1065830288 /nfs/dbraw/zinc/83/02/88/1065830288.db2.gz AZRZCQQPODQTCJ-LLVKDONJSA-N 0 0 457.474 4.718 20 0 JJADRN O=C(OCc1ccccc1I)c1ccc(COc2ccc(F)cc2)o1 ZINC001439455391 1065830322 /nfs/dbraw/zinc/83/03/22/1065830322.db2.gz MLGQRJBAQLEJPN-UHFFFAOYSA-N 0 0 452.219 4.959 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1C ZINC001439450107 1065830406 /nfs/dbraw/zinc/83/04/06/1065830406.db2.gz CBLZFGFLHZEYQQ-GFCCVEGCSA-N 0 0 450.720 4.918 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CCCSC1 ZINC001360759921 1065830713 /nfs/dbraw/zinc/83/07/13/1065830713.db2.gz DRRZAYGHCRPDGR-SJORKVTESA-N 0 0 486.032 4.602 20 0 JJADRN Cc1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)nc(C(F)(F)F)n1 ZINC001439457372 1065831228 /nfs/dbraw/zinc/83/12/28/1065831228.db2.gz JMYNCNBKXFLTDB-UHFFFAOYSA-N 0 0 450.339 4.820 20 0 JJADRN Cc1cc(F)ccc1[C@H](C)OC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001439460472 1065831288 /nfs/dbraw/zinc/83/12/88/1065831288.db2.gz PVVAXEMYAWYBNN-INIZCTEOSA-N 0 0 452.511 4.825 20 0 JJADRN CCn1ncc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)c1Br ZINC001439467339 1065832380 /nfs/dbraw/zinc/83/23/80/1065832380.db2.gz RNFUAFKRRSBSST-UHFFFAOYSA-N 0 0 457.115 4.807 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c(C)nccc34)CC2)c(C)c1 ZINC001439466299 1065832405 /nfs/dbraw/zinc/83/24/05/1065832405.db2.gz DJLBIWNSNYFFBZ-UHFFFAOYSA-N 0 0 451.592 4.508 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCCC(F)(F)F ZINC001360760600 1065833094 /nfs/dbraw/zinc/83/30/94/1065833094.db2.gz PIDDAJSKDOILRI-SNRMKQJTSA-N 0 0 488.938 4.798 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)c1 ZINC001439486629 1065833459 /nfs/dbraw/zinc/83/34/59/1065833459.db2.gz OIZGWRYPYDXSKQ-UHFFFAOYSA-N 0 0 456.543 4.544 20 0 JJADRN O=C(Nc1cc(Br)ccc1C1=NCCO1)c1cccc(OCc2cscn2)c1 ZINC001439494867 1065833830 /nfs/dbraw/zinc/83/38/30/1065833830.db2.gz TZAFRCUZHZSKDU-UHFFFAOYSA-N 0 0 458.337 4.514 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360760706 1065834139 /nfs/dbraw/zinc/83/41/39/1065834139.db2.gz ROKHDFHWAVKDJL-INECWFNRSA-N 0 0 460.022 4.770 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 ZINC001439498154 1065835378 /nfs/dbraw/zinc/83/53/78/1065835378.db2.gz IFXGCMGAZMBJST-IERDGZPVSA-N 0 0 452.526 4.616 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCSCCCO ZINC001360760995 1065836401 /nfs/dbraw/zinc/83/64/01/1065836401.db2.gz WODPSGDIWGIGJM-UUOWRZLLSA-N 0 0 497.105 4.829 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC001439507047 1065836708 /nfs/dbraw/zinc/83/67/08/1065836708.db2.gz STZAIQCYZPPUHB-UHFFFAOYSA-N 0 0 453.882 4.551 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)o1 ZINC001360761559 1065837087 /nfs/dbraw/zinc/83/70/87/1065837087.db2.gz LHGPZDUUVXMVII-LJQANCHMSA-N 0 0 450.626 4.511 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)C1 ZINC001360761422 1065837170 /nfs/dbraw/zinc/83/71/70/1065837170.db2.gz HPKUQNDDRYLEGL-PKOBYXMFSA-N 0 0 455.986 4.840 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)cnn1CC(C)C ZINC001439513683 1065837502 /nfs/dbraw/zinc/83/75/02/1065837502.db2.gz YVILMFRBALEYFV-UHFFFAOYSA-N 0 0 451.230 4.723 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cccc(-n2cccn2)c1 ZINC001439510726 1065837611 /nfs/dbraw/zinc/83/76/11/1065837611.db2.gz QHPVFEOHAFCABC-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001439513576 1065837659 /nfs/dbraw/zinc/83/76/59/1065837659.db2.gz YAPXIXBBRBKBAM-UHFFFAOYSA-N 0 0 452.214 4.831 20 0 JJADRN COCc1ccc([C@@H]2COCCN2C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)o1 ZINC001439515648 1065837679 /nfs/dbraw/zinc/83/76/79/1065837679.db2.gz QQVGQYLUZMPGTG-KRWDZBQOSA-N 0 0 451.306 4.910 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCOC[C@H]1C ZINC001360762300 1065837805 /nfs/dbraw/zinc/83/78/05/1065837805.db2.gz CURLOMIVIBCJTF-QRVBRYPASA-N 0 0 473.618 4.537 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@H]2C)n1C[C@](C)(O)c1cccs1 ZINC001360762425 1065838613 /nfs/dbraw/zinc/83/86/13/1065838613.db2.gz FRVDNYKRPSACDE-VVBPWWLESA-N 0 0 479.071 4.982 20 0 JJADRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001439545551 1065839782 /nfs/dbraw/zinc/83/97/82/1065839782.db2.gz HIPLFUPUPBVFSM-UONOGXRCSA-N 0 0 452.423 4.530 20 0 JJADRN CCc1c(C(=O)NC[C@]2(c3ccccc3)CCCO2)cnn1-c1ccc(Br)cc1 ZINC001439550841 1065840478 /nfs/dbraw/zinc/84/04/78/1065840478.db2.gz BWWGBVGOGBCMIP-QHCPKHFHSA-N 0 0 454.368 4.633 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccc(Br)n1 ZINC001360762754 1065840684 /nfs/dbraw/zinc/84/06/84/1065840684.db2.gz KZMPDLIYZOVBAH-HOCLYGCPSA-N 0 0 492.418 4.705 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSCC2)n1C[C@]1(O)CCCC1(C)C ZINC001360762741 1065840727 /nfs/dbraw/zinc/84/07/27/1065840727.db2.gz KWPULQSULULTNK-KSFYIVLOSA-N 0 0 451.036 4.566 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@H]1CCCOC1 ZINC001360762760 1065840768 /nfs/dbraw/zinc/84/07/68/1065840768.db2.gz LALIDYNDYZODOJ-DLBZAZTESA-N 0 0 451.036 4.830 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@H]2C)n1CCCOCC(F)F ZINC001360762918 1065841348 /nfs/dbraw/zinc/84/13/48/1065841348.db2.gz NDDQZJNDVGRJEZ-CABCVRRESA-N 0 0 460.978 4.685 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC(C)(C)C2)n1C[C@@H]1CCCOC1 ZINC001360762763 1065841541 /nfs/dbraw/zinc/84/15/41/1065841541.db2.gz LALIDYNDYZODOJ-SJORKVTESA-N 0 0 451.036 4.830 20 0 JJADRN O=C(NCC[C@@H]1CCC2(CCC2)O1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001439575718 1065842457 /nfs/dbraw/zinc/84/24/57/1065842457.db2.gz KVHTZDQWVWZHET-SFHVURJKSA-N 0 0 454.380 4.536 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccn(C(CC)CC)n1)c1ccc(Br)c(Cl)c1 ZINC001439575839 1065842545 /nfs/dbraw/zinc/84/25/45/1065842545.db2.gz OAADFPMSVADHIW-KRWDZBQOSA-N 0 0 456.768 4.694 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccc(Br)c(Cl)c1 ZINC001439580105 1065842564 /nfs/dbraw/zinc/84/25/64/1065842564.db2.gz UESOHUKOIONQGB-FCEWJHQRSA-N 0 0 450.760 4.935 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCOC[C@@H]1CC1CC1 ZINC001439581464 1065843073 /nfs/dbraw/zinc/84/30/73/1065843073.db2.gz MHWWALMDFKUXIP-KRWDZBQOSA-N 0 0 455.546 4.975 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21)n1cccc1 ZINC001439581533 1065843182 /nfs/dbraw/zinc/84/31/82/1065843182.db2.gz CMSNWVFWICOMMJ-NJDAHSKKSA-N 0 0 453.583 4.596 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H]1C ZINC001360763330 1065843363 /nfs/dbraw/zinc/84/33/63/1065843363.db2.gz USLKTABMWZMUPB-UWVAXJGDSA-N 0 0 473.593 4.974 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCO[C@@H]1CCOC1 ZINC001360763540 1065843426 /nfs/dbraw/zinc/84/34/26/1065843426.db2.gz YAPBFWHTQWMSDH-BMQTXXJKSA-N 0 0 499.002 4.995 20 0 JJADRN Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001439583982 1065843983 /nfs/dbraw/zinc/84/39/83/1065843983.db2.gz KHYXPMMEQXYNOJ-WOJBJXKFSA-N 0 0 454.542 4.904 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2OCCCO3)C1 ZINC001439583036 1065844102 /nfs/dbraw/zinc/84/41/02/1065844102.db2.gz HZXUZMRDLBTATD-GOSISDBHSA-N 0 0 452.551 4.582 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360763638 1065844116 /nfs/dbraw/zinc/84/41/16/1065844116.db2.gz ZPAOMLHZAATSJW-MOPGFXCFSA-N 0 0 492.089 4.806 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCOC[C@H]1CCCO1 ZINC001360763593 1065844143 /nfs/dbraw/zinc/84/41/43/1065844143.db2.gz ZBCIOATXXWRPAQ-PSHVLCQKSA-N 0 0 495.089 4.987 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)C[C@@H](C)n1cc(Br)cn1 ZINC001360764388 1065844617 /nfs/dbraw/zinc/84/46/17/1065844617.db2.gz WCADWWIMWMVVMZ-CYBMUJFWSA-N 0 0 458.198 4.592 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1Cc1sccc1Br ZINC001360764487 1065844658 /nfs/dbraw/zinc/84/46/58/1065844658.db2.gz AYSXSXIOLNBBBW-CABCVRRESA-N 0 0 495.418 4.902 20 0 JJADRN Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001360763879 1065844783 /nfs/dbraw/zinc/84/47/83/1065844783.db2.gz GUYPBYKTJKFKOE-AZUAARDMSA-N 0 0 457.412 4.838 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001439586756 1065844722 /nfs/dbraw/zinc/84/47/22/1065844722.db2.gz QDVNIUZQHUMBKS-OFAXGOBFSA-N 0 0 450.579 4.919 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)C[C@H](C)n1cc(Br)cn1 ZINC001360764389 1065844957 /nfs/dbraw/zinc/84/49/57/1065844957.db2.gz WCADWWIMWMVVMZ-ZDUSSCGKSA-N 0 0 458.198 4.592 20 0 JJADRN C/C(=C\c1ccco1)C(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001439590038 1065845559 /nfs/dbraw/zinc/84/55/59/1065845559.db2.gz DHIIEYWVQJKMHO-VCERGNBPSA-N 0 0 452.551 4.839 20 0 JJADRN Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc(Br)cc1C(F)(F)F ZINC001439599536 1065846648 /nfs/dbraw/zinc/84/66/48/1065846648.db2.gz WGQQORPEIFMYMH-NSHDSACASA-N 0 0 459.237 4.907 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc(Br)cc1C(F)(F)F ZINC001439596266 1065846903 /nfs/dbraw/zinc/84/69/03/1065846903.db2.gz NVIGEYMRYZKTAQ-LLVKDONJSA-N 0 0 459.237 4.907 20 0 JJADRN COC[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC)C(C)C ZINC001439608853 1065847802 /nfs/dbraw/zinc/84/78/02/1065847802.db2.gz IAEPSGBZNJUPOJ-AMZDPNTKSA-N 0 0 452.595 4.523 20 0 JJADRN CC(C)C[C@H]1CN(C)CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001439618826 1065848295 /nfs/dbraw/zinc/84/82/95/1065848295.db2.gz ZNTUYAAUGQAHAF-NRFANRHFSA-N 0 0 458.400 4.504 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)cc(OC)c1OCc1ccccc1 ZINC001439614468 1065848405 /nfs/dbraw/zinc/84/84/05/1065848405.db2.gz MCFWYSVMFIUEFR-IBGZPJMESA-N 0 0 452.576 4.753 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CCCN1CCCCC1=O ZINC001360765262 1065848389 /nfs/dbraw/zinc/84/83/89/1065848389.db2.gz NYVVQFMNQBOEEA-FQEVSTJZSA-N 0 0 471.621 4.976 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(Br)s2)n1CC1(O)CCC1 ZINC001360765169 1065848487 /nfs/dbraw/zinc/84/84/87/1065848487.db2.gz LYCJYQUIJIPCCS-CQSZACIVSA-N 0 0 495.418 4.933 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCC(C)(F)F ZINC001360765264 1065848855 /nfs/dbraw/zinc/84/88/55/1065848855.db2.gz NZTUBPVBKCGDHA-CYBMUJFWSA-N 0 0 456.900 4.626 20 0 JJADRN Cc1cc(C)c(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)c(=O)o1 ZINC001439624764 1065848978 /nfs/dbraw/zinc/84/89/78/1065848978.db2.gz DJFKOBQAQKWCEG-UHFFFAOYSA-N 0 0 459.399 4.659 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCc3cc(C)c(Br)cc3C2)CCN1C(=O)OC(C)(C)C ZINC001439624202 1065849104 /nfs/dbraw/zinc/84/91/04/1065849104.db2.gz JSSAXULWWXEAPN-IEBWSBKVSA-N 0 0 451.405 4.678 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)c1nn(C(C)(C)C)cc1Br)CC2 ZINC001439621723 1065849224 /nfs/dbraw/zinc/84/92/24/1065849224.db2.gz FSOVIDYJMKVHAQ-UHFFFAOYSA-N 0 0 455.194 4.670 20 0 JJADRN C[C@H](CC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1cnn(C)c1 ZINC001439627845 1065849757 /nfs/dbraw/zinc/84/97/57/1065849757.db2.gz NVJJNIHDYJDOSX-CQSZACIVSA-N 0 0 459.447 4.703 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CCc3cc(F)c(Br)cc3C2)o1 ZINC001439626966 1065849862 /nfs/dbraw/zinc/84/98/62/1065849862.db2.gz OKJIVHQKAXNBDV-ALCCZGGFSA-N 0 0 450.304 4.735 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCOC(C)(C)C ZINC001360765546 1065850529 /nfs/dbraw/zinc/85/05/29/1065850529.db2.gz SYQINXAMPCFMBL-HNNXBMFYSA-N 0 0 498.525 4.761 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCc2cc(F)c(Br)cc2C1 ZINC001439631528 1065850410 /nfs/dbraw/zinc/85/04/10/1065850410.db2.gz YLXQRTAKVSUUFK-UHFFFAOYSA-N 0 0 456.237 4.542 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccco2)n1CCCNC(=O)OC(C)(C)C ZINC001360765600 1065850671 /nfs/dbraw/zinc/85/06/71/1065850671.db2.gz VAFSCDVZHVOTGG-KRWDZBQOSA-N 0 0 473.549 4.701 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360765657 1065851428 /nfs/dbraw/zinc/85/14/28/1065851428.db2.gz WFBDSGGSNUVNOP-IAGOWNOFSA-N 0 0 488.633 4.617 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1F ZINC001439638703 1065851834 /nfs/dbraw/zinc/85/18/34/1065851834.db2.gz PTGCXFLARHVQKD-PTNGSMBKSA-N 0 0 452.448 4.727 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccoc2)n1CCC(=O)NC1CCCCC1 ZINC001360765758 1065851999 /nfs/dbraw/zinc/85/19/99/1065851999.db2.gz XULGMDQKDBIKLD-GOSISDBHSA-N 0 0 469.561 4.626 20 0 JJADRN CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766222 1065852567 /nfs/dbraw/zinc/85/25/67/1065852567.db2.gz LGDDXTMYSRELRB-OALUTQOASA-N 0 0 455.755 4.556 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2C(=O)CCn2cnc3ccc(Br)cc3c2=O)o1 ZINC001360766193 1065852724 /nfs/dbraw/zinc/85/27/24/1065852724.db2.gz KFMVDHBBXNTVFD-LJQANCHMSA-N 0 0 458.356 4.594 20 0 JJADRN Cc1cccc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)c1OCc1ccccc1 ZINC001439649341 1065853022 /nfs/dbraw/zinc/85/30/22/1065853022.db2.gz YMJIEGLRNQHGHO-UHFFFAOYSA-N 0 0 453.424 4.821 20 0 JJADRN CCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4Cl)c3C(C)C)cc12 ZINC001439649728 1065853033 /nfs/dbraw/zinc/85/30/33/1065853033.db2.gz PTVJKOQNCVHUSM-UHFFFAOYSA-N 0 0 451.914 4.726 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3cc(C)c(F)cc3s2)c1 ZINC001439644723 1065853108 /nfs/dbraw/zinc/85/31/08/1065853108.db2.gz LYTVKNKUCJMDBB-UHFFFAOYSA-N 0 0 455.964 4.680 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC001439668436 1065854364 /nfs/dbraw/zinc/85/43/64/1065854364.db2.gz DJDXHAHMVYGLQF-PVPMGCCUSA-N 0 0 458.805 4.981 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360766872 1065854748 /nfs/dbraw/zinc/85/47/48/1065854748.db2.gz FIOJDJREYCGTOI-NXOAAHMSSA-N 0 0 483.510 4.518 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC2CCOCC2)n1CCc1nccs1 ZINC001360767117 1065855355 /nfs/dbraw/zinc/85/53/55/1065855355.db2.gz JMPDTHVZQUXUIO-QGZVFWFLSA-N 0 0 459.591 4.509 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360767406 1065856076 /nfs/dbraw/zinc/85/60/76/1065856076.db2.gz OZARHQCFTMRLLT-VWNVYAMZSA-N 0 0 460.594 4.622 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCSC[C@H]3c3cnn(C)c3)c12 ZINC001439682166 1065857064 /nfs/dbraw/zinc/85/70/64/1065857064.db2.gz SWGHWOOSBNBWPA-FQEVSTJZSA-N 0 0 454.644 4.672 20 0 JJADRN CC[C@](C)(NC(=O)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2)C(N)=O ZINC001439686065 1065857921 /nfs/dbraw/zinc/85/79/21/1065857921.db2.gz ZZOYMKCFSBLQPL-AAJFVQQISA-N 0 0 451.929 4.898 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001439690663 1065857973 /nfs/dbraw/zinc/85/79/73/1065857973.db2.gz FCLKBMKNFJIBPJ-FQRUVTKNSA-N 0 0 453.583 4.879 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001439690175 1065857998 /nfs/dbraw/zinc/85/79/98/1065857998.db2.gz CXVLMKAVCALXER-FQRUVTKNSA-N 0 0 458.599 4.860 20 0 JJADRN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([C@H](C)CC(N)=O)cc2)c1 ZINC001439691071 1065858111 /nfs/dbraw/zinc/85/81/11/1065858111.db2.gz FQAIQKOWUGJAOO-GOSISDBHSA-N 0 0 454.530 4.779 20 0 JJADRN O=C(c1ccc(CSc2ccccc2)cc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001439694869 1065858746 /nfs/dbraw/zinc/85/87/46/1065858746.db2.gz SWGISHFVRWRLNY-XMMPIXPASA-N 0 0 451.613 4.981 20 0 JJADRN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 ZINC001439692929 1065858918 /nfs/dbraw/zinc/85/89/18/1065858918.db2.gz KUWWBYOETBQGSJ-AWEZNQCLSA-N 0 0 457.324 4.852 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001439696366 1065859545 /nfs/dbraw/zinc/85/95/45/1065859545.db2.gz RWQFITZVOOYFGT-LHSJRXKWSA-N 0 0 458.477 4.503 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)C1 ZINC001360769081 1065859825 /nfs/dbraw/zinc/85/98/25/1065859825.db2.gz CZMBANOVDCSMDC-UXHICEINSA-N 0 0 452.578 4.937 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)c(F)c2)CCC1 ZINC001439699282 1065859922 /nfs/dbraw/zinc/85/99/22/1065859922.db2.gz ALMFLDNESMPALC-NRFANRHFSA-N 0 0 456.562 4.701 20 0 JJADRN CSc1nc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c2ccccn21 ZINC001439699365 1065859950 /nfs/dbraw/zinc/85/99/50/1065859950.db2.gz BHEITPFXAPQNPA-SFHVURJKSA-N 0 0 458.628 4.746 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H]1CC=CCO1 ZINC001360769146 1065860568 /nfs/dbraw/zinc/86/05/68/1065860568.db2.gz DTWAXJNQURHZKH-HUUCEWRRSA-N 0 0 453.345 4.802 20 0 JJADRN C[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(Br)c1 ZINC001439700254 1065860590 /nfs/dbraw/zinc/86/05/90/1065860590.db2.gz BXIQNHHKLGLKAO-DYVFJYSZSA-N 0 0 457.384 4.844 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439700105 1065860747 /nfs/dbraw/zinc/86/07/47/1065860747.db2.gz LQOPOGHKNVSSHJ-CZUORRHYSA-N 0 0 457.434 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001439699915 1065860753 /nfs/dbraw/zinc/86/07/53/1065860753.db2.gz BGFRLKFICUSODY-SJLPKXTDSA-N 0 0 452.885 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccccc2OCCOc2ccccc2)C(C)(C)C1 ZINC001439702646 1065861056 /nfs/dbraw/zinc/86/10/56/1065861056.db2.gz QIHAVLPTYOGJSF-JOCHJYFZSA-N 0 0 454.567 4.520 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc3ncc(I)n3c2)C[C@@H]1c1ccccc1 ZINC001439700558 1065861276 /nfs/dbraw/zinc/86/12/76/1065861276.db2.gz ANPMLWIFMSGYCQ-QGZVFWFLSA-N 0 0 459.331 4.595 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769645 1065862465 /nfs/dbraw/zinc/86/24/65/1065862465.db2.gz LNMYJONHCUKTKB-NHCUHLMSSA-N 0 0 473.637 4.542 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCC3(NC(=O)OC(C)(C)C)CC3)c3c(C)noc3n2)c(C)s1 ZINC001439706033 1065862502 /nfs/dbraw/zinc/86/25/02/1065862502.db2.gz UTTRJJWVCLDMFX-UHFFFAOYSA-N 0 0 456.568 4.664 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1C[C@H]1CCCCC1(F)F ZINC001360769649 1065862733 /nfs/dbraw/zinc/86/27/33/1065862733.db2.gz LQPPZSHTZDDJNL-FUHWJXTLSA-N 0 0 452.521 4.591 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1=CCCOC1 ZINC001360769965 1065863746 /nfs/dbraw/zinc/86/37/46/1065863746.db2.gz QRUGFFFYVQGJAF-CQSZACIVSA-N 0 0 453.345 4.803 20 0 JJADRN COc1ccc(CCCC(=O)NCCc2cc(Br)ccc2SC)cc1OC ZINC001439726737 1065864612 /nfs/dbraw/zinc/86/46/12/1065864612.db2.gz IDAQBBMBNNYUFY-UHFFFAOYSA-N 0 0 452.414 4.870 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC001439729902 1065865096 /nfs/dbraw/zinc/86/50/96/1065865096.db2.gz HMDUZPDSBMZTBM-UHFFFAOYSA-N 0 0 457.384 4.991 20 0 JJADRN Cc1ccc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)c(Br)n1 ZINC001439729105 1065865311 /nfs/dbraw/zinc/86/53/11/1065865311.db2.gz DPHKEEMCUNQSBG-UHFFFAOYSA-N 0 0 454.409 4.556 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccc(Cl)cc1 ZINC001439730427 1065865346 /nfs/dbraw/zinc/86/53/46/1065865346.db2.gz AZUOXNGXADGQNK-LJQANCHMSA-N 0 0 450.888 4.811 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(F)cn1 ZINC001360770180 1065865287 /nfs/dbraw/zinc/86/52/87/1065865287.db2.gz UWWQYIKTADJQGK-AWEZNQCLSA-N 0 0 467.442 4.918 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCC[C@H]2CCC(C)(C)CO2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439732375 1065865909 /nfs/dbraw/zinc/86/59/09/1065865909.db2.gz FJEGHJYZAOMFSR-QZTJIDSGSA-N 0 0 454.011 4.711 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1(O)CCCC1 ZINC001360770373 1065866846 /nfs/dbraw/zinc/86/68/46/1065866846.db2.gz XTLWKVLCTBSBKD-CQSZACIVSA-N 0 0 455.361 4.762 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H]1C ZINC001360770562 1065867344 /nfs/dbraw/zinc/86/73/44/1065867344.db2.gz ZCIZXOZTUHVQJP-UWVAXJGDSA-N 0 0 473.593 4.879 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001439737071 1065867964 /nfs/dbraw/zinc/86/79/64/1065867964.db2.gz ZVHGKAYCLMPJDF-IRXDYDNUSA-N 0 0 454.533 4.997 20 0 JJADRN CCOc1cc(CCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1OC ZINC001360771524 1065867970 /nfs/dbraw/zinc/86/79/70/1065867970.db2.gz BFAUQQJWDGTWSE-UHFFFAOYSA-N 0 0 456.546 4.704 20 0 JJADRN Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001360771166 1065868320 /nfs/dbraw/zinc/86/83/20/1065868320.db2.gz UZTCRNWVSDWLMH-HSZRJFAPSA-N 0 0 455.583 4.776 20 0 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CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(C)cc(C(=O)OC)c2)[C@H]1c1ccc(OC)cc1 ZINC001439747812 1065870394 /nfs/dbraw/zinc/87/03/94/1065870394.db2.gz RYZQLVYRRBLMIA-LADGPHEKSA-N 0 0 452.551 4.509 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H]1CC=CCC1 ZINC001360773014 1065871081 /nfs/dbraw/zinc/87/10/81/1065871081.db2.gz GEBXPCGFXJCGSB-GBESFXJTSA-N 0 0 481.538 4.986 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC(F)(F)F ZINC001360773379 1065871718 /nfs/dbraw/zinc/87/17/18/1065871718.db2.gz LKAWWDRWDHNUMK-AWEZNQCLSA-N 0 0 487.498 4.613 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCc1cccs1 ZINC001360773529 1065871827 /nfs/dbraw/zinc/87/18/27/1065871827.db2.gz JLYBSEOQIBHBIV-SJORKVTESA-N 0 0 497.562 4.934 20 0 JJADRN CCOc1cc(CCCNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)ccc1OC ZINC001360773864 1065872712 /nfs/dbraw/zinc/87/27/12/1065872712.db2.gz UWZBIBSXFRTENC-AREMUKBSSA-N 0 0 458.558 4.540 20 0 JJADRN 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CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCCOc2cccc(Br)c2)C1 ZINC001440073340 1065909375 /nfs/dbraw/zinc/90/93/75/1065909375.db2.gz FHDBMOWBTSEXTD-AOMKIAJQSA-N 0 0 467.404 4.514 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001440075145 1065909499 /nfs/dbraw/zinc/90/94/99/1065909499.db2.gz QCWVIEWOEIZBDB-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCSc2ccc(Br)cc2)C1 ZINC001440079138 1065910106 /nfs/dbraw/zinc/91/01/06/1065910106.db2.gz ONNSIVVZPFHRNJ-BTYIYWSLSA-N 0 0 469.445 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nc3ccccc3cc2Br)C1 ZINC001440081367 1065910663 /nfs/dbraw/zinc/91/06/63/1065910663.db2.gz TVHUUOQRAFHMBW-NYHFZMIOSA-N 0 0 460.372 4.517 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC001440092626 1065911287 /nfs/dbraw/zinc/91/12/87/1065911287.db2.gz ROINQLRGFTUGIK-HXUWFJFHSA-N 0 0 455.480 4.707 20 0 JJADRN 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COc1ccc(C(=O)Nc2ccc(C(=O)NCc3cccc(OC(F)(F)F)c3)s2)cc1 ZINC001440139324 1065914909 /nfs/dbraw/zinc/91/49/09/1065914909.db2.gz DTUGPOHZNGWFSC-UHFFFAOYSA-N 0 0 450.438 4.838 20 0 JJADRN CC1(C)C[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360802979 1065914861 /nfs/dbraw/zinc/91/48/61/1065914861.db2.gz RCFSOQSCSAAKLJ-MRXNPFEDSA-N 0 0 473.946 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)c3ccc(-c4ccc(F)cc4)cc3F)c2C1 ZINC001440139560 1065915074 /nfs/dbraw/zinc/91/50/74/1065915074.db2.gz IYDCSLKXWFFUHV-UHFFFAOYSA-N 0 0 455.461 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCC(C)(C)C2=CCOCC2)CC1 ZINC001440143009 1065915878 /nfs/dbraw/zinc/91/58/78/1065915878.db2.gz SVVSMGMHQRVDJV-UHFFFAOYSA-N 0 0 456.627 4.979 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001440142101 1065915889 /nfs/dbraw/zinc/91/58/89/1065915889.db2.gz PXGNWQZDURILGR-MRXNPFEDSA-N 0 0 455.580 4.690 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001440144119 1065916373 /nfs/dbraw/zinc/91/63/73/1065916373.db2.gz FISTWYKRRCWURT-FXAWDEMLSA-N 0 0 453.652 4.786 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC[C@@H](C)c2ccccc21 ZINC001440148187 1065917104 /nfs/dbraw/zinc/91/71/04/1065917104.db2.gz OHSYKFXKRHCLPU-SGANQWHYSA-N 0 0 450.560 4.823 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360805626 1065917965 /nfs/dbraw/zinc/91/79/65/1065917965.db2.gz VVCAXBBYKDFEHI-CVEARBPZSA-N 0 0 451.587 4.577 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)CC[C@H](C)c3ccccc32)c1 ZINC001440154053 1065917983 /nfs/dbraw/zinc/91/79/83/1065917983.db2.gz WLWCWMQVPXULQT-PPHZAIPVSA-N 0 0 450.579 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001440156538 1065917999 /nfs/dbraw/zinc/91/79/99/1065917999.db2.gz WIMKRBHKDQSVBO-GOSISDBHSA-N 0 0 451.007 4.542 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)NC[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)c21 ZINC001440156504 1065918014 /nfs/dbraw/zinc/91/80/14/1065918014.db2.gz VXVRWFNFSZZCRH-KRWDZBQOSA-N 0 0 458.603 4.555 20 0 JJADRN Cc1ccc(CCC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001440155566 1065918132 /nfs/dbraw/zinc/91/81/32/1065918132.db2.gz SWNZAELUCUQGQT-KRWDZBQOSA-N 0 0 453.421 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCCC(C)(C)C3)n2CCc2ccccn2)C1 ZINC001360806044 1065918241 /nfs/dbraw/zinc/91/82/41/1065918241.db2.gz KGZMPHVHEMXHIH-FQEVSTJZSA-N 0 0 468.646 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC(C)(C)C3)n2Cc2nccn2C(F)F)CC1 ZINC001360805852 1065918447 /nfs/dbraw/zinc/91/84/47/1065918447.db2.gz CPHOWQDNKFTHIB-UHFFFAOYSA-N 0 0 493.603 4.659 20 0 JJADRN CC1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2cc(Br)ccc2F)C1 ZINC001360805893 1065918488 /nfs/dbraw/zinc/91/84/88/1065918488.db2.gz DQQKYPXSGZWXDP-QGZVFWFLSA-N 0 0 465.411 4.943 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)C1 ZINC001440163729 1065918658 /nfs/dbraw/zinc/91/86/58/1065918658.db2.gz HRLNDZVEUWQWEA-ZWKOTPCHSA-N 0 0 466.416 4.715 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccccc3Br)n2CCn2cc(Cl)cn2)C1 ZINC001360806325 1065918928 /nfs/dbraw/zinc/91/89/28/1065918928.db2.gz NXEFNNOCDJRTMG-UHFFFAOYSA-N 0 0 463.811 4.884 20 0 JJADRN O=C(c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)N1CCC[C@H]1C(F)(F)F ZINC001440163988 1065919101 /nfs/dbraw/zinc/91/91/01/1065919101.db2.gz FPAZOJZAMBEHNE-INIZCTEOSA-N 0 0 457.235 4.961 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)COCC2 ZINC001440169753 1065919585 /nfs/dbraw/zinc/91/95/85/1065919585.db2.gz FGKDGBMLUOMHFT-UHFFFAOYSA-N 0 0 457.527 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)c3cc(-c4ccccc4)ns3)n2)C1 ZINC001440178690 1065921314 /nfs/dbraw/zinc/92/13/14/1065921314.db2.gz ZPWWCSRYENUMJD-INIZCTEOSA-N 0 0 451.552 4.577 20 0 JJADRN CC(C)(C)[C@H]1CCN(C(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CCO1 ZINC001440178569 1065921517 /nfs/dbraw/zinc/92/15/17/1065921517.db2.gz DPCMHHPMCWLEJX-RUZDIDTESA-N 0 0 451.607 4.977 20 0 JJADRN CCc1ccc2c(c1)CCN(C(=O)c1cc(Cl)c(I)cc1OC)C2 ZINC001440185437 1065922565 /nfs/dbraw/zinc/92/25/65/1065922565.db2.gz HQNOCTWYZKSKEU-UHFFFAOYSA-N 0 0 455.723 4.714 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001360809358 1065923336 /nfs/dbraw/zinc/92/33/36/1065923336.db2.gz GBBUSUHWJXVSOZ-IAQYHMDHSA-N 0 0 450.158 4.681 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1cccc(OCC(C)C)c1 ZINC001545928937 1065923593 /nfs/dbraw/zinc/92/35/93/1065923593.db2.gz MPGLYCNUNYSJJC-QHCPKHFHSA-N 0 0 485.673 4.531 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)c1I ZINC001440224292 1065924707 /nfs/dbraw/zinc/92/47/07/1065924707.db2.gz CQOAHCUXQVANQD-AWEZNQCLSA-N 0 0 458.658 4.524 20 0 JJADRN CN(CC[C@H]1CCCCN1C(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)OC(C)(C)C ZINC001440226446 1065925167 /nfs/dbraw/zinc/92/51/67/1065925167.db2.gz KFJPOMXCPMDYNZ-CYBMUJFWSA-N 0 0 456.559 4.824 20 0 JJADRN Cc1cccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1I ZINC001440226459 1065925192 /nfs/dbraw/zinc/92/51/92/1065925192.db2.gz KJPSHFYBWQVVHV-UHFFFAOYSA-N 0 0 458.299 4.511 20 0 JJADRN CC1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360812102 1065925183 /nfs/dbraw/zinc/92/51/83/1065925183.db2.gz BQZLVUJKIKSNLM-UHFFFAOYSA-N 0 0 481.469 4.910 20 0 JJADRN CC1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001360812645 1065925658 /nfs/dbraw/zinc/92/56/58/1065925658.db2.gz NMTXPALOAKXKTI-IBGZPJMESA-N 0 0 485.982 4.554 20 0 JJADRN CC1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001360812615 1065925713 /nfs/dbraw/zinc/92/57/13/1065925713.db2.gz MPPMWNXNKLTIOZ-UHFFFAOYSA-N 0 0 459.516 4.770 20 0 JJADRN CC1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1cccnc1OCC(F)(F)F ZINC001360812924 1065925841 /nfs/dbraw/zinc/92/58/41/1065925841.db2.gz ZCAJHJYQIMYJTC-UHFFFAOYSA-N 0 0 463.479 4.771 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001440239029 1065925779 /nfs/dbraw/zinc/92/57/79/1065925779.db2.gz JUMGJUQPQAOQFP-UHFFFAOYSA-N 0 0 454.523 4.763 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)O[C@@H]1CCc2c1cccc2Cl ZINC001440234117 1065925793 /nfs/dbraw/zinc/92/57/93/1065925793.db2.gz FAIFIDCUQUEFSW-GOSISDBHSA-N 0 0 457.773 4.887 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](CC)c1ccccc1 ZINC001545929435 1065926169 /nfs/dbraw/zinc/92/61/69/1065926169.db2.gz YDXUMSBAIJCBEX-UGKGYDQZSA-N 0 0 455.647 4.642 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1cc(F)ccc1N(C)C ZINC001440252243 1065926236 /nfs/dbraw/zinc/92/62/36/1065926236.db2.gz ISCSUOVUNKDMHV-FIRURCGASA-N 0 0 457.977 4.817 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](c2nccn2C)C(F)(F)F)cc1 ZINC001440248885 1065926266 /nfs/dbraw/zinc/92/62/66/1065926266.db2.gz FTGQGDZUFYNRKG-JOCHJYFZSA-N 0 0 456.468 4.929 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)Nc3ccc(OC(C)C)cc3C(=O)OC)cs2)cc1 ZINC001440252060 1065926363 /nfs/dbraw/zinc/92/63/63/1065926363.db2.gz SAXUPEOPHYFHIU-UHFFFAOYSA-N 0 0 454.548 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CCC[C@@H]12 ZINC001440273077 1065926746 /nfs/dbraw/zinc/92/67/46/1065926746.db2.gz FQTISYCFBWRBGP-RLWLMLJZSA-N 0 0 467.541 4.740 20 0 JJADRN CC1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2=O)CC1 ZINC001360814314 1065926769 /nfs/dbraw/zinc/92/67/69/1065926769.db2.gz RIDDAPHIHXHPBI-UHFFFAOYSA-N 0 0 474.447 4.737 20 0 JJADRN CC(C)(C)C(=O)NCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(C)CC1 ZINC001360813952 1065926872 /nfs/dbraw/zinc/92/68/72/1065926872.db2.gz JEELYBOEKDAGCV-UHFFFAOYSA-N 0 0 480.426 4.635 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001440273975 1065927356 /nfs/dbraw/zinc/92/73/56/1065927356.db2.gz IOEKNKLQSPFIBQ-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN O=C(Oc1cc(Br)ccc1Br)c1ccn(-c2ccc(F)cc2F)n1 ZINC001440279612 1065927464 /nfs/dbraw/zinc/92/74/64/1065927464.db2.gz PWRRSLPVHQALOQ-UHFFFAOYSA-N 0 0 458.056 4.895 20 0 JJADRN CC(=O)N[C@H](CC(=O)Oc1cc(Br)ccc1Br)c1ccc(C)cc1 ZINC001440275657 1065927493 /nfs/dbraw/zinc/92/74/93/1065927493.db2.gz MPSSTDVAUFUXHP-MRXNPFEDSA-N 0 0 455.146 4.693 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(CN2CCCCC2=O)cc1)Cc1cccc(Br)c1 ZINC001360815135 1065927823 /nfs/dbraw/zinc/92/78/23/1065927823.db2.gz RSEWTIMFPDINNU-GOSISDBHSA-N 0 0 457.412 4.960 20 0 JJADRN CC[C@H](CNC(=O)CSC(=S)N1CCC(C)CC1)Cc1cccc(Br)c1 ZINC001360814993 1065927858 /nfs/dbraw/zinc/92/78/58/1065927858.db2.gz PAZGKDLSGQEUJN-INIZCTEOSA-N 0 0 457.503 4.884 20 0 JJADRN CC[C@H](CNC(=O)CCc1c(C)nc(SC)nc1C)Cc1cccc(Br)c1 ZINC001360814934 1065927913 /nfs/dbraw/zinc/92/79/13/1065927913.db2.gz NVVFUXIQOVRCTF-INIZCTEOSA-N 0 0 450.446 4.896 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCc3c2cccc3OC)c1 ZINC001440282125 1065927953 /nfs/dbraw/zinc/92/79/53/1065927953.db2.gz FFHSEZHGUKRNEP-DEOSSOPVSA-N 0 0 451.544 4.755 20 0 JJADRN CCN(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001440281569 1065927992 /nfs/dbraw/zinc/92/79/92/1065927992.db2.gz QQQWROYRSACAOO-GOSISDBHSA-N 0 0 457.493 4.525 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)Cc1cccc(Br)c1 ZINC001360815044 1065927985 /nfs/dbraw/zinc/92/79/85/1065927985.db2.gz PTKPTCLEGQRDMT-KXBFYZLASA-N 0 0 451.430 4.650 20 0 JJADRN CC[C@@H](CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)Cc1cccc(Br)c1 ZINC001360815233 1065928342 /nfs/dbraw/zinc/92/83/42/1065928342.db2.gz TZRKXQGDPVVQIE-HOYKHHGWSA-N 0 0 457.412 4.829 20 0 JJADRN CC1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(I)cc2)CC1 ZINC001360815971 1065928905 /nfs/dbraw/zinc/92/89/05/1065928905.db2.gz POBOGCZDVLLAOI-SFHVURJKSA-N 0 0 480.394 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C)(C)CC2)n1CC1CC(C)(C)C1 ZINC001360815982 1065928950 /nfs/dbraw/zinc/92/89/50/1065928950.db2.gz PSFIGYBHSFQNCO-LJQANCHMSA-N 0 0 461.651 4.649 20 0 JJADRN CCc1cc(C(=O)N[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1Br ZINC001440298944 1065929049 /nfs/dbraw/zinc/92/90/49/1065929049.db2.gz POEUPTPDGABHOV-FQEVSTJZSA-N 0 0 455.318 4.948 20 0 JJADRN CN(C)c1cccc(COC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 ZINC001360816914 1065929449 /nfs/dbraw/zinc/92/94/49/1065929449.db2.gz YZIPHGWYAIGKQG-UHFFFAOYSA-N 0 0 451.363 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C)(C)CC3)n2CCc2ccccn2)C1 ZINC001360816210 1065929524 /nfs/dbraw/zinc/92/95/24/1065929524.db2.gz WGJLAKBHQALUEI-HXUWFJFHSA-N 0 0 468.646 4.657 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2C[C@]2(O)CCSC2)cc1 ZINC001360816957 1065929533 /nfs/dbraw/zinc/92/95/33/1065929533.db2.gz AEGGBERTVVNQTD-RUZDIDTESA-N 0 0 458.672 4.649 20 0 JJADRN CC1(C)CCO[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 ZINC001360817135 1065929993 /nfs/dbraw/zinc/92/99/93/1065929993.db2.gz FYXXBHQLAWFFSP-SFHVURJKSA-N 0 0 465.823 4.826 20 0 JJADRN CC1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001360817235 1065930011 /nfs/dbraw/zinc/93/00/11/1065930011.db2.gz JLDRAMHHBUCBRE-IEBWSBKVSA-N 0 0 477.447 4.797 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(COc2ccccc2F)nnc1N1CCC(C)(C)CC1 ZINC001360817269 1065930020 /nfs/dbraw/zinc/93/00/20/1065930020.db2.gz JZTMISTZSNBBDA-UHFFFAOYSA-N 0 0 497.562 4.783 20 0 JJADRN CC1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001360817234 1065930078 /nfs/dbraw/zinc/93/00/78/1065930078.db2.gz JLDRAMHHBUCBRE-HKUYNNGSSA-N 0 0 477.447 4.797 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001360817260 1065930089 /nfs/dbraw/zinc/93/00/89/1065930089.db2.gz JUSPGCDUOAOOSK-NBGIEHNGSA-N 0 0 461.050 4.979 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCC(C)(C)CC3)n2C[C@H]2CCCCS2)C1 ZINC001360817544 1065930577 /nfs/dbraw/zinc/93/05/77/1065930577.db2.gz QYRVJIMYGJGENO-CEXWTWQISA-N 0 0 463.692 4.961 20 0 JJADRN COc1ccc(NC(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC001440332978 1065930709 /nfs/dbraw/zinc/93/07/09/1065930709.db2.gz 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CCCCN1C(=O)CC[C@H](C(=O)NCc2cc(F)ccc2SC)[C@@H]1c1ccccc1OC ZINC001360819791 1065932524 /nfs/dbraw/zinc/93/25/24/1065932524.db2.gz HJDDUSRZYRNNRS-RDPSFJRHSA-N 0 0 458.599 4.952 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1coc2c1C(=O)NCC(C)(C)C2)c1ccccc1Cl ZINC001360819814 1065932546 /nfs/dbraw/zinc/93/25/46/1065932546.db2.gz IJWOWWFSJXSWNH-JOCHJYFZSA-N 0 0 452.938 4.773 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cn(Cc2cccs2)nn1 ZINC001360820335 1065932988 /nfs/dbraw/zinc/93/29/88/1065932988.db2.gz ABVYBDQKHGBCDB-UHFFFAOYSA-N 0 0 450.364 4.600 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)cc2F)c1 ZINC001360820562 1065933533 /nfs/dbraw/zinc/93/35/33/1065933533.db2.gz FZXICRXNJAKMOV-NRFANRHFSA-N 0 0 457.347 4.858 20 0 JJADRN O=C(c1ccn(CCC(F)(F)F)n1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC001440373311 1065933727 /nfs/dbraw/zinc/93/37/27/1065933727.db2.gz RZFPCGCHXYIFHV-UHFFFAOYSA-N 0 0 457.496 4.624 20 0 JJADRN CC1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOCC(F)F)CC(C)(C)O1 ZINC001360820695 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MJAMCANRYCDADV-DLBZAZTESA-N 0 0 458.550 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)cn2)C1 ZINC001440872607 1065987142 /nfs/dbraw/zinc/98/71/42/1065987142.db2.gz YGFAMVSTNKJELD-MRXNPFEDSA-N 0 0 454.449 4.606 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360866251 1065988187 /nfs/dbraw/zinc/98/81/87/1065988187.db2.gz PQASBUWDMYTRKH-KNQAVFIVSA-N 0 0 495.590 4.677 20 0 JJADRN CS(=O)(=O)Nc1cc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)ccc1F ZINC001440877673 1065988340 /nfs/dbraw/zinc/98/83/40/1065988340.db2.gz NWTPIPPLIZFRQL-UHFFFAOYSA-N 0 0 453.417 4.530 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc2ccc(Br)cc2s1)c1nccn1C ZINC001440877540 1065988361 /nfs/dbraw/zinc/98/83/61/1065988361.db2.gz ZMSRDRCQAINCIV-LJQANCHMSA-N 0 0 456.365 4.925 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)CC2)c1C ZINC001360866385 1065988561 /nfs/dbraw/zinc/98/85/61/1065988561.db2.gz RZZLLGOQAMATEZ-DENIHFKCSA-N 0 0 453.631 4.689 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)n(C2CCOCC2)c1C ZINC001440884175 1065989139 /nfs/dbraw/zinc/98/91/39/1065989139.db2.gz WMJPEFWPXZKWNA-UHFFFAOYSA-N 0 0 456.974 4.811 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)c1 ZINC001440884449 1065989182 /nfs/dbraw/zinc/98/91/82/1065989182.db2.gz OTEKZDPVYFNGHD-HSZRJFAPSA-N 0 0 456.995 4.742 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001440882873 1065989352 /nfs/dbraw/zinc/98/93/52/1065989352.db2.gz SKRGGIWUGNILSW-SFHVURJKSA-N 0 0 454.411 4.853 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN2CCOC[C@@H]2C)c1C ZINC001360866590 1065989320 /nfs/dbraw/zinc/98/93/20/1065989320.db2.gz WACIRGSPKYMSHQ-NAMDQGSHSA-N 0 0 469.674 4.771 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCC(=O)NC(C)C)c1C ZINC001360866657 1065989648 /nfs/dbraw/zinc/98/96/48/1065989648.db2.gz WXHZDOQWQZVXDU-WOJBJXKFSA-N 0 0 453.587 4.740 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001545936460 1065989871 /nfs/dbraw/zinc/98/98/71/1065989871.db2.gz LVSGGWATCOMOEP-JTHBVZDNSA-N 0 0 489.705 4.721 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1C ZINC001360866888 1065990194 /nfs/dbraw/zinc/99/01/94/1065990194.db2.gz ZFVWGIOMTUTGGQ-GBEXAXCTSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1C ZINC001360866887 1065990370 /nfs/dbraw/zinc/99/03/70/1065990370.db2.gz ZFVWGIOMTUTGGQ-GBAAUQCPSA-N 0 0 456.631 4.711 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2CCC(=O)N2CCCCC2)c1C ZINC001360866893 1065990731 /nfs/dbraw/zinc/99/07/31/1065990731.db2.gz ZIGDQKFEHYTTRJ-OAQYLSRUSA-N 0 0 455.647 4.920 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1snnc1C ZINC001360866902 1065990852 /nfs/dbraw/zinc/99/08/52/1065990852.db2.gz ZLZILYSIZQJWHO-KRWDZBQOSA-N 0 0 469.640 4.644 20 0 JJADRN COc1cccc([C@H](CNC(=O)c2cc(C)cc(C=O)c2O)c2c[nH]c3ccccc32)c1OC ZINC001440893838 1065991007 /nfs/dbraw/zinc/99/10/07/1065991007.db2.gz LOSYHEHLKQIGOV-QFIPXVFZSA-N 0 0 458.514 4.574 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)ccc1Cl ZINC001360867360 1065990939 /nfs/dbraw/zinc/99/09/39/1065990939.db2.gz RICYCGLOPYUEOG-UHFFFAOYSA-N 0 0 459.955 4.508 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(F)F ZINC001440894090 1065991054 /nfs/dbraw/zinc/99/10/54/1065991054.db2.gz MSBYJQSVUGSAPH-NQIIRXRSSA-N 0 0 457.521 4.965 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC001360868009 1065991236 /nfs/dbraw/zinc/99/12/36/1065991236.db2.gz PYFHAMPIRGIZPA-SFHVURJKSA-N 0 0 458.946 4.735 20 0 JJADRN O=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001440896798 1065991614 /nfs/dbraw/zinc/99/16/14/1065991614.db2.gz LFYJJQMOYRCZGO-RUZDIDTESA-N 0 0 458.562 4.632 20 0 JJADRN COc1cccc([C@H](CNC(=O)c2cccc(OC(C)C)n2)c2c[nH]c3ccccc32)c1OC ZINC001440895143 1065991628 /nfs/dbraw/zinc/99/16/28/1065991628.db2.gz POSUBVAGFCTJGI-NRFANRHFSA-N 0 0 459.546 4.929 20 0 JJADRN O=C(Nn1cnc2ccccc21)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001440895827 1065991641 /nfs/dbraw/zinc/99/16/41/1065991641.db2.gz FYVATJYDLZAWSB-UHFFFAOYSA-N 0 0 455.774 4.913 20 0 JJADRN CN(Cc1nnc2n1CCCCC2)C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001440895973 1065991658 /nfs/dbraw/zinc/99/16/58/1065991658.db2.gz IREHVWKKXLRWPN-UHFFFAOYSA-N 0 0 455.584 4.838 20 0 JJADRN Cc1ccccc1Nc1scnc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC001440898512 1065991943 /nfs/dbraw/zinc/99/19/43/1065991943.db2.gz FJUSBAQQRJYVHE-GOSISDBHSA-N 0 0 451.552 4.748 20 0 JJADRN COc1ccc([C@H](CNC(=O)Cn2nc(C(F)(F)F)cc2C)c2c[nH]c3ccccc32)cc1 ZINC001440898252 1065991998 /nfs/dbraw/zinc/99/19/98/1065991998.db2.gz WKCLROQROSUAAX-IBGZPJMESA-N 0 0 456.468 4.649 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC3(C2)OCCO3)c1C ZINC001360868428 1065992081 /nfs/dbraw/zinc/99/20/81/1065992081.db2.gz DXFNSLZTNQPFRX-RBUKOAKNSA-N 0 0 482.547 4.967 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCC3(C2)OCCO3)c1C ZINC001360868429 1065992110 /nfs/dbraw/zinc/99/21/10/1065992110.db2.gz DXFNSLZTNQPFRX-RTBURBONSA-N 0 0 482.547 4.967 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)C1 ZINC001440900151 1065992487 /nfs/dbraw/zinc/99/24/87/1065992487.db2.gz PNJNXZPEBYIOBU-QFBILLFUSA-N 0 0 456.543 4.623 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)cs2)CC1 ZINC001440900559 1065992854 /nfs/dbraw/zinc/99/28/54/1065992854.db2.gz JKHIRNNOTDCXKR-FIKGOQFSSA-N 0 0 456.612 4.919 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360868559 1065992907 /nfs/dbraw/zinc/99/29/07/1065992907.db2.gz HPZLCDUUJXWIQB-IAQAZVPISA-N 0 0 474.593 4.971 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H](C)C3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360868708 1065993414 /nfs/dbraw/zinc/99/34/14/1065993414.db2.gz ARNMVIGLVPOUMB-JFIYKMOQSA-N 0 0 456.541 4.903 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)c1C ZINC001360868744 1065993992 /nfs/dbraw/zinc/99/39/92/1065993992.db2.gz BIIVTXCHFISMQE-WWNPGLIZSA-N 0 0 469.674 4.628 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360868759 1065994063 /nfs/dbraw/zinc/99/40/63/1065994063.db2.gz BMPVJNCKRBBPBC-UNMCSNQZSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC001440923122 1065994310 /nfs/dbraw/zinc/99/43/10/1065994310.db2.gz JRLFMKYFNGOJES-UHFFFAOYSA-N 0 0 458.494 4.508 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCC2CC2)c1C ZINC001360868854 1065994530 /nfs/dbraw/zinc/99/45/30/1065994530.db2.gz CAUROLKUAXLGKY-SFHVURJKSA-N 0 0 493.574 4.730 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)CCC(C)C)c1C ZINC001360868945 1065995000 /nfs/dbraw/zinc/99/50/00/1065995000.db2.gz CUKYZOJHAMOBPL-QDQHVZQESA-N 0 0 458.647 4.836 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001440933957 1065995464 /nfs/dbraw/zinc/99/54/64/1065995464.db2.gz NKZPVEVYPUSTOO-VPUSJEBWSA-N 0 0 451.526 4.554 20 0 JJADRN CN(Cc1nnc2n1CCC2)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001440942698 1065995775 /nfs/dbraw/zinc/99/57/75/1065995775.db2.gz UCBRDVOMVGRSKS-UHFFFAOYSA-N 0 0 450.395 4.591 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC001440941137 1065996003 /nfs/dbraw/zinc/99/60/03/1065996003.db2.gz AWRXLYUUHVQVRD-UHFFFAOYSA-N 0 0 457.379 4.904 20 0 JJADRN COc1cc(C(=O)CCC(=O)Nc2ccccc2SCC(F)(F)F)cc(OC)c1OC ZINC001440948540 1065996143 /nfs/dbraw/zinc/99/61/43/1065996143.db2.gz UYCDSHARYCULTC-UHFFFAOYSA-N 0 0 457.470 4.968 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H](CC(C)C)NCC(F)(F)F ZINC001440945314 1065996276 /nfs/dbraw/zinc/99/62/76/1065996276.db2.gz KWIUAKCZAVATII-INIZCTEOSA-N 0 0 456.336 4.737 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cscn3)n2CCc2nccs2)c1C ZINC001360869111 1065996521 /nfs/dbraw/zinc/99/65/21/1065996521.db2.gz MEQFDOQAGVYETB-QGZVFWFLSA-N 0 0 454.625 4.827 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCc2ccsc2)c1C ZINC001360869215 1065996585 /nfs/dbraw/zinc/99/65/85/1065996585.db2.gz MUGNYEJNFGJNOH-JOCHJYFZSA-N 0 0 497.709 4.886 20 0 JJADRN CC(C)CCC[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O ZINC001440951330 1065996705 /nfs/dbraw/zinc/99/67/05/1065996705.db2.gz YKPGGXQIWOBEME-RRQZXNHTSA-N 0 0 452.595 4.606 20 0 JJADRN CCOc1cc(NC(=O)c2ccnc3ccncc32)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440953044 1065996922 /nfs/dbraw/zinc/99/69/22/1065996922.db2.gz MIVHWRAUQNHATE-UHFFFAOYSA-N 0 0 456.502 4.932 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCNC(=O)c2ccco2)c1C ZINC001360869294 1065996985 /nfs/dbraw/zinc/99/69/85/1065996985.db2.gz GHLQMOPYKKONHJ-SFTDATJTSA-N 0 0 479.625 4.930 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCc3cccs3)n2CCNC(=O)C(C)(C)C)c1C ZINC001360869329 1065997500 /nfs/dbraw/zinc/99/75/00/1065997500.db2.gz ODHHMJPPJXVZCH-FQEVSTJZSA-N 0 0 483.682 4.938 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360869427 1065997615 /nfs/dbraw/zinc/99/76/15/1065997615.db2.gz HJTLBPSIFAHQLU-RBBKRZOGSA-N 0 0 497.684 4.687 20 0 JJADRN COc1ccsc1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC001440969739 1065997755 /nfs/dbraw/zinc/99/77/55/1065997755.db2.gz QCNWEVHYZJIVGD-UKTHLTGXSA-N 0 0 457.360 4.530 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCOC2)c1C ZINC001360869491 1065998185 /nfs/dbraw/zinc/99/81/85/1065998185.db2.gz HXWDHMAKLAYYET-IECBHUPTSA-N 0 0 496.574 4.601 20 0 JJADRN CCO[C@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)C(C)C ZINC001440974401 1065998303 /nfs/dbraw/zinc/99/83/03/1065998303.db2.gz YMNUOWAPMSFRNM-KGTJKXQDSA-N 0 0 459.395 4.597 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)CCOCC1 ZINC001545937201 1065999228 /nfs/dbraw/zinc/99/92/28/1065999228.db2.gz GOSQVTIUKLQMIS-JTHBVZDNSA-N 0 0 458.643 4.958 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CC1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001545937373 1066000485 /nfs/dbraw/zinc/00/04/85/1066000485.db2.gz LLJFPLWFIMSSFA-UHFFFAOYSA-N 0 0 456.514 4.518 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC001360870019 1066000800 /nfs/dbraw/zinc/00/08/00/1066000800.db2.gz LWOKETGPPDIRRZ-ZYSLNFODSA-N 0 0 456.631 4.854 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C ZINC001441015014 1066000797 /nfs/dbraw/zinc/00/07/97/1066000797.db2.gz QOPNYFPHEZPYIS-UHFFFAOYSA-N 0 0 458.946 4.630 20 0 JJADRN CCOc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1O ZINC001441015102 1066000873 /nfs/dbraw/zinc/00/08/73/1066000873.db2.gz SGXGUUXQYVAQHE-WEVVVXLNSA-N 0 0 456.848 4.573 20 0 JJADRN COc1ccc([C@H](C)N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC001441017024 1066000993 /nfs/dbraw/zinc/00/09/93/1066000993.db2.gz UAZBLMUJUADJLV-IBGZPJMESA-N 0 0 452.576 4.946 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H]2CCCCC2(F)F)c1C ZINC001360870195 1066001177 /nfs/dbraw/zinc/00/11/77/1066001177.db2.gz NGQZZJYXDATVCO-SXLOBPIMSA-N 0 0 475.584 4.527 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1N ZINC001441019649 1066001208 /nfs/dbraw/zinc/00/12/08/1066001208.db2.gz WOZRHVOADMNYGE-UHFFFAOYSA-N 0 0 454.663 4.959 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)cc2)cc1 ZINC001441019584 1066001312 /nfs/dbraw/zinc/00/13/12/1066001312.db2.gz URTMPFZGMDFFSF-UHFFFAOYSA-N 0 0 452.576 4.892 20 0 JJADRN Cc1ccc([C@H]2CCCN2C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC001441017987 1066001364 /nfs/dbraw/zinc/00/13/64/1066001364.db2.gz WMYJVWJRPMKDOG-IFMALSPDSA-N 0 0 453.587 4.526 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(F)c3)ccc2c1 ZINC001441018157 1066001414 /nfs/dbraw/zinc/00/14/14/1066001414.db2.gz YEGFPOVZVYGLCW-RDPSFJRHSA-N 0 0 454.929 4.819 20 0 JJADRN O=C(N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1(C2CCCCC2)CCCCC1 ZINC001441029670 1066002183 /nfs/dbraw/zinc/00/21/83/1066002183.db2.gz NKRWPOOAXPTSGN-UHFFFAOYSA-N 0 0 453.048 4.704 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360870491 1066002413 /nfs/dbraw/zinc/00/24/13/1066002413.db2.gz XLGLMLVPWUKZFW-FPOVZHCZSA-N 0 0 478.584 4.712 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CC(F)(F)CO2)c1C ZINC001360870493 1066002538 /nfs/dbraw/zinc/00/25/38/1066002538.db2.gz XLGLMLVPWUKZFW-TZIWHRDSSA-N 0 0 478.584 4.712 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2C[C@@H]2C)c1C ZINC001360870443 1066002559 /nfs/dbraw/zinc/00/25/59/1066002559.db2.gz PKKLRRUPELZXEW-XKCSPQBFSA-N 0 0 467.658 4.774 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCOCC(F)F)c1C ZINC001360870682 1066003328 /nfs/dbraw/zinc/00/33/28/1066003328.db2.gz PVAMQSPPOQWGLG-SOLBZPMBSA-N 0 0 454.587 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCC2CC2)c1C ZINC001360870699 1066003340 /nfs/dbraw/zinc/00/33/40/1066003340.db2.gz PXJFNWGDRWDVJI-XAUMDUMWSA-N 0 0 452.521 4.991 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCOCC(F)F)c1C ZINC001360870680 1066003429 /nfs/dbraw/zinc/00/34/29/1066003429.db2.gz PVAMQSPPOQWGLG-JFIYKMOQSA-N 0 0 454.587 4.647 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCc2ccc(Cl)s2)c1C ZINC001360870752 1066003452 /nfs/dbraw/zinc/00/34/52/1066003452.db2.gz QOPDHXVUPBYLHF-AEFFLSMTSA-N 0 0 488.057 4.659 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H]3CC=CCC3)n2CCNC(=O)c2ccco2)c1C ZINC001360870806 1066003914 /nfs/dbraw/zinc/00/39/14/1066003914.db2.gz ZTTJIBYPTMGESJ-FCHUYYIVSA-N 0 0 477.609 4.850 20 0 JJADRN O=C(/C=C\c1ccccc1OCc1ccccc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001441046626 1066003992 /nfs/dbraw/zinc/00/39/92/1066003992.db2.gz NWVRAEBCORCFIO-PFONDFGASA-N 0 0 458.533 4.793 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@@](C)=O)CC2)c1C ZINC001360871457 1066005152 /nfs/dbraw/zinc/00/51/52/1066005152.db2.gz XENUJDGAQOZMGT-OGPYBGEISA-N 0 0 470.639 4.954 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2CC2([S@](C)=O)CC2)c1C ZINC001360871454 1066005300 /nfs/dbraw/zinc/00/53/00/1066005300.db2.gz XENUJDGAQOZMGT-BPJXYHRLSA-N 0 0 470.639 4.954 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)CCCCC2)cc1 ZINC001441061215 1066005360 /nfs/dbraw/zinc/00/53/60/1066005360.db2.gz BRZIHVFFTZXTAR-HSZRJFAPSA-N 0 0 453.671 4.557 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1(C)C ZINC001441062843 1066005368 /nfs/dbraw/zinc/00/53/68/1066005368.db2.gz CRJPUJBPNSKZEL-KNUWZQJKSA-N 0 0 456.530 4.564 20 0 JJADRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C(=O)OC(C)(C)C)c1 ZINC001441067493 1066005767 /nfs/dbraw/zinc/00/57/67/1066005767.db2.gz MOSYNHDJFPDRDC-HNNXBMFYSA-N 0 0 450.482 4.916 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545937922 1066005805 /nfs/dbraw/zinc/00/58/05/1066005805.db2.gz DTKSTKPFHVZBSG-QFIPXVFZSA-N 0 0 498.722 4.946 20 0 JJADRN C[C@H](C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)n1cccc1 ZINC001441081685 1066006061 /nfs/dbraw/zinc/00/60/61/1066006061.db2.gz HETCKNJSCNEYBS-CQSZACIVSA-N 0 0 453.848 4.982 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CCC(C)(F)F)c1C ZINC001360872759 1066006315 /nfs/dbraw/zinc/00/63/15/1066006315.db2.gz ABEMFMVZAVBONO-UXHICEINSA-N 0 0 472.584 4.883 20 0 JJADRN Cc1cccc([C@@H]2CCCCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC001360872191 1066006349 /nfs/dbraw/zinc/00/63/49/1066006349.db2.gz JRFRRANDUODUFH-QHCPKHFHSA-N 0 0 458.599 4.679 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)cs1 ZINC001360872709 1066006372 /nfs/dbraw/zinc/00/63/72/1066006372.db2.gz YCJWJKDJTJZJGV-OAQYLSRUSA-N 0 0 450.560 4.887 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(F)(F)CC3)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360872812 1066006714 /nfs/dbraw/zinc/00/67/14/1066006714.db2.gz AWAYAWWBSYGMBK-UPTQXZAWSA-N 0 0 468.614 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCc2ccncc2)c1C ZINC001360872788 1066006784 /nfs/dbraw/zinc/00/67/84/1066006784.db2.gz AOSFRBHLOYCAQE-ISKFKSNPSA-N 0 0 463.626 4.924 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCc2ccncc2)c1C ZINC001360872789 1066006807 /nfs/dbraw/zinc/00/68/07/1066006807.db2.gz AOSFRBHLOYCAQE-LADGPHEKSA-N 0 0 463.626 4.924 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)CCc2cccc(OCc3ccccc3)c2)cc1Cl ZINC001441090873 1066007009 /nfs/dbraw/zinc/00/70/09/1066007009.db2.gz NKDSAKAPJJRDFL-UHFFFAOYSA-N 0 0 458.967 4.862 20 0 JJADRN CC(C)COc1ccc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1Cl ZINC001441091340 1066007124 /nfs/dbraw/zinc/00/71/24/1066007124.db2.gz XTUNWYZORHFYOO-UHFFFAOYSA-N 0 0 453.720 4.721 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CC(C)(C)C(C)C)c1C ZINC001360872851 1066007201 /nfs/dbraw/zinc/00/72/01/1066007201.db2.gz BSSIFNJEEZVQHL-YADHBBJMSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)c1C ZINC001360872941 1066007527 /nfs/dbraw/zinc/00/75/27/1066007527.db2.gz CWGXALASRXLDJQ-PMACEKPBSA-N 0 0 469.630 4.938 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CCSC(C)C)c1C ZINC001360872907 1066007658 /nfs/dbraw/zinc/00/76/58/1066007658.db2.gz ASCNHRBFSNSSBD-IBGZPJMESA-N 0 0 467.639 4.840 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccco1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001441104402 1066007815 /nfs/dbraw/zinc/00/78/15/1066007815.db2.gz ZFSNKRBXWHRVFG-GOSISDBHSA-N 0 0 452.938 4.548 20 0 JJADRN O=C(Cc1nc(C2CCCC2)cs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001441103757 1066007847 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CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc(I)c1N ZINC001441134188 1066010109 /nfs/dbraw/zinc/01/01/09/1066010109.db2.gz CIGCKRGXAQNUGQ-UHFFFAOYSA-N 0 0 458.290 4.984 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2CCCCC2)c1C ZINC001360873645 1066010224 /nfs/dbraw/zinc/01/02/24/1066010224.db2.gz HNRSADJOPPTKCT-HXUWFJFHSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@]2(O)CCSC2)c1C ZINC001360873712 1066010273 /nfs/dbraw/zinc/01/02/73/1066010273.db2.gz JVPMBDNXHJTDFC-BSWQBHCVSA-N 0 0 458.672 4.775 20 0 JJADRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC001441170124 1066010965 /nfs/dbraw/zinc/01/09/65/1066010965.db2.gz BWLVLHHCONQGDD-UHFFFAOYSA-N 0 0 458.183 4.723 20 0 JJADRN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001441156554 1066011095 /nfs/dbraw/zinc/01/10/95/1066011095.db2.gz ZCADKIZTTQMKOW-HLAWJBBLSA-N 0 0 451.007 4.883 20 0 JJADRN CCN(CC)C(=O)c1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC001441174542 1066011606 /nfs/dbraw/zinc/01/16/06/1066011606.db2.gz RFWWXYLAVZWUAP-UHFFFAOYSA-N 0 0 459.631 4.650 20 0 JJADRN C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC001441173208 1066011681 /nfs/dbraw/zinc/01/16/81/1066011681.db2.gz RBGJBWBNXRUWPP-LBPRGKRZSA-N 0 0 454.324 4.542 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CC(=O)NC(C)C)c1C ZINC001360874031 1066011809 /nfs/dbraw/zinc/01/18/09/1066011809.db2.gz JVQNOYJAIKBBEY-FSSWDIPSSA-N 0 0 453.631 4.576 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC2(C)CC2)c1C ZINC001360874095 1066011922 /nfs/dbraw/zinc/01/19/22/1066011922.db2.gz MMCJMLKSNREQAQ-HXUWFJFHSA-N 0 0 453.631 4.530 20 0 JJADRN O=C(c1ccc(OC(F)F)cc1F)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001441180325 1066011989 /nfs/dbraw/zinc/01/19/89/1066011989.db2.gz HJGOZTHVWOCRCP-LLVKDONJSA-N 0 0 458.362 4.508 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)ccc1NC(=O)c1cccs1 ZINC001441177390 1066012083 /nfs/dbraw/zinc/01/20/83/1066012083.db2.gz SRQYCAFHUPNFBT-UHFFFAOYSA-N 0 0 453.608 4.564 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCOC2)c1C ZINC001360874217 1066012326 /nfs/dbraw/zinc/01/23/26/1066012326.db2.gz KWRLBSYRELZESA-SFTDATJTSA-N 0 0 495.590 4.536 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3c3nncn3C)n2CCSC(C)C)c1C ZINC001360874223 1066012784 /nfs/dbraw/zinc/01/27/84/1066012784.db2.gz KXVICWMLNFXPQM-UXHICEINSA-N 0 0 469.659 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC2(CC(C)C)CC2)c1C ZINC001360874297 1066013122 /nfs/dbraw/zinc/01/31/22/1066013122.db2.gz NUVJTNINRCONCE-OAQYLSRUSA-N 0 0 467.658 4.953 20 0 JJADRN CCN(Cc1cccc(NC(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC(C)(C)C ZINC001441190692 1066013560 /nfs/dbraw/zinc/01/35/60/1066013560.db2.gz WYGAWYLIABQWHR-UHFFFAOYSA-N 0 0 459.587 4.949 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360874514 1066013761 /nfs/dbraw/zinc/01/37/61/1066013761.db2.gz QHQGPAGUWQFBHF-LQBOVUBWSA-N 0 0 463.626 4.573 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CCOC[C@@H]2C)c1C ZINC001360874512 1066013931 /nfs/dbraw/zinc/01/39/31/1066013931.db2.gz QEMKCNBLIYIHKX-GMAHTHKFSA-N 0 0 499.700 4.540 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCOc2ncccc2F)c1C ZINC001360874443 1066013963 /nfs/dbraw/zinc/01/39/63/1066013963.db2.gz MWFNVVISDMWOJN-XLIONFOSSA-N 0 0 453.562 4.884 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cc3cccnc3cc2Br)cc1 ZINC001545939117 1066014523 /nfs/dbraw/zinc/01/45/23/1066014523.db2.gz QHPALKHLGDFHIS-ZDUSSCGKSA-N 0 0 458.381 4.753 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1cc2cccnc2cc1Br ZINC001545939100 1066014665 /nfs/dbraw/zinc/01/46/65/1066014665.db2.gz PMJYZOQDZIAQCD-CYBMUJFWSA-N 0 0 459.365 4.581 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cc3cccnc3cc2Br)cc1 ZINC001545939116 1066014764 /nfs/dbraw/zinc/01/47/64/1066014764.db2.gz QHPALKHLGDFHIS-CYBMUJFWSA-N 0 0 458.381 4.753 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874730 1066014986 /nfs/dbraw/zinc/01/49/86/1066014986.db2.gz OENHJXUBEOXPJW-GMAHTHKFSA-N 0 0 495.672 4.580 20 0 JJADRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1Sc1ccccc1 ZINC001441206417 1066015265 /nfs/dbraw/zinc/01/52/65/1066015265.db2.gz WAPSMGIKBQUNBI-UHFFFAOYSA-N 0 0 453.558 4.668 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874904 1066015380 /nfs/dbraw/zinc/01/53/80/1066015380.db2.gz PDTBLELXSGOIGI-IBGZPJMESA-N 0 0 455.603 4.502 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1C ZINC001360874921 1066015894 /nfs/dbraw/zinc/01/58/94/1066015894.db2.gz PIIBUKXWUCVXSM-NQIIRXRSSA-N 0 0 476.687 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001545939444 1066016195 /nfs/dbraw/zinc/01/61/95/1066016195.db2.gz BQEIKZPVWJVOHU-MOPGFXCFSA-N 0 0 496.681 4.733 20 0 JJADRN CC(C)C(=O)Nc1ccc(CNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001441218472 1066016346 /nfs/dbraw/zinc/01/63/46/1066016346.db2.gz JHEUEKIPWSLREX-UHFFFAOYSA-N 0 0 457.596 4.566 20 0 JJADRN Cc1ccc(CNC(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)c(C)c1 ZINC001441219277 1066016360 /nfs/dbraw/zinc/01/63/60/1066016360.db2.gz IJOSQIYMYWGFSM-GOSISDBHSA-N 0 0 450.501 4.863 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H]2CCCO2)c1C ZINC001360875098 1066016410 /nfs/dbraw/zinc/01/64/10/1066016410.db2.gz QCWYEEOZPLTEMI-BHIFYINESA-N 0 0 456.631 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1Cc1cc2ccccc2s1 ZINC001545939479 1066016737 /nfs/dbraw/zinc/01/67/37/1066016737.db2.gz CFLQEGMDUUFFAY-SFHVURJKSA-N 0 0 457.669 4.791 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCc1coc(-c2ccc(C)cc2)n1 ZINC001545939446 1066016745 /nfs/dbraw/zinc/01/67/45/1066016745.db2.gz BQEIKZPVWJVOHU-RBUKOAKNSA-N 0 0 496.681 4.733 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001545939513 1066016782 /nfs/dbraw/zinc/01/67/82/1066016782.db2.gz CYWNPPFDBJEIFZ-IBGZPJMESA-N 0 0 499.603 4.670 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCCCO2)c1C ZINC001360875190 1066016817 /nfs/dbraw/zinc/01/68/17/1066016817.db2.gz XOLWNBWUEZXIDG-GMAHTHKFSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)F)C3)n2CC2([S@](C)=O)CCC2)c1C ZINC001360875120 1066016838 /nfs/dbraw/zinc/01/68/38/1066016838.db2.gz QOSZIVZOGYRIOE-FRYUTEBBSA-N 0 0 480.625 4.818 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OCC4CC4)CC3)n2CCNC(=O)C(C)(C)C)c1C ZINC001360875373 1066017366 /nfs/dbraw/zinc/01/73/66/1066017366.db2.gz YMFQPNVVZULPLT-OAQYLSRUSA-N 0 0 497.684 4.593 20 0 JJADRN CCC(C)(C)C1CCC(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001441233570 1066017554 /nfs/dbraw/zinc/01/75/54/1066017554.db2.gz DNQQVIWWQPAGEW-UHFFFAOYSA-N 0 0 452.636 4.728 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1C ZINC001360875435 1066017798 /nfs/dbraw/zinc/01/77/98/1066017798.db2.gz ZSHMENHAIJJSTG-YVFCYKQZSA-N 0 0 497.684 4.578 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360875390 1066017945 /nfs/dbraw/zinc/01/79/45/1066017945.db2.gz YXBLFKLCENZNBL-MXEMCNAFSA-N 0 0 487.620 4.916 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[C@H]1CCCCO1 ZINC001545939603 1066018640 /nfs/dbraw/zinc/01/86/40/1066018640.db2.gz GGJCXQOWVUKXCU-OAQYLSRUSA-N 0 0 477.719 4.802 20 0 JJADRN CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1O ZINC001441239528 1066018647 /nfs/dbraw/zinc/01/86/47/1066018647.db2.gz LKQRMBJXPITFHL-MRXNPFEDSA-N 0 0 457.741 4.994 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360875579 1066018635 /nfs/dbraw/zinc/01/86/35/1066018635.db2.gz VUCLCMNRDVKZFM-UYAOXDASSA-N 0 0 467.614 4.984 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC4(C3)CCCCC4)n2CCOCCCO)c1C ZINC001360875600 1066018734 /nfs/dbraw/zinc/01/87/34/1066018734.db2.gz WERCFGJOPATJTG-JOCHJYFZSA-N 0 0 456.631 4.595 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC001441242459 1066018958 /nfs/dbraw/zinc/01/89/58/1066018958.db2.gz ADJMZMAQOUPJHG-KVWXWEJBSA-N 0 0 454.611 4.784 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](Oc4ncccc4F)C3)n2CCC(C)(C)O)c1C ZINC001360875655 1066019112 /nfs/dbraw/zinc/01/91/12/1066019112.db2.gz WWDGCNKDRQLBNU-SFTDATJTSA-N 0 0 497.615 4.778 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]3c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360875742 1066019142 /nfs/dbraw/zinc/01/91/42/1066019142.db2.gz YFHRAJHCHKWYSH-LEWJYISDSA-N 0 0 465.598 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CCCCC2)c1C ZINC001360875712 1066019213 /nfs/dbraw/zinc/01/92/13/1066019213.db2.gz XOHFOEZUFYWZMB-RBBKRZOGSA-N 0 0 453.631 4.707 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCn2cccn2)c1C ZINC001360875779 1066019471 /nfs/dbraw/zinc/01/94/71/1066019471.db2.gz YQNHSHYWSVYJPN-WOJBJXKFSA-N 0 0 458.557 4.803 20 0 JJADRN C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246022 1066019607 /nfs/dbraw/zinc/01/96/07/1066019607.db2.gz HTMGHNVRMUFXOK-BXKMTCNYSA-N 0 0 456.558 4.502 20 0 JJADRN C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246060 1066020287 /nfs/dbraw/zinc/02/02/87/1066020287.db2.gz HTMGHNVRMUFXOK-OSPHWJPCSA-N 0 0 456.558 4.502 20 0 JJADRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441251056 1066020868 /nfs/dbraw/zinc/02/08/68/1066020868.db2.gz BEKRHFNWDVXEIH-AWEZNQCLSA-N 0 0 456.917 4.824 20 0 JJADRN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441249627 1066020879 /nfs/dbraw/zinc/02/08/79/1066020879.db2.gz DOQKWPCQBKTAQJ-XXBNENTESA-N 0 0 453.583 4.672 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876852 1066021526 /nfs/dbraw/zinc/02/15/26/1066021526.db2.gz CBTQLMAGDWORLN-NHCUHLMSSA-N 0 0 495.590 4.678 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360876891 1066021906 /nfs/dbraw/zinc/02/19/06/1066021906.db2.gz CWQHBHVPUFVPRN-VQTJNVASSA-N 0 0 475.584 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1CC1(CC)CCOCC1 ZINC001545939778 1066021948 /nfs/dbraw/zinc/02/19/48/1066021948.db2.gz KETLKUAJRKLOKP-UHFFFAOYSA-N 0 0 465.708 4.515 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc21 ZINC001441257012 1066021976 /nfs/dbraw/zinc/02/19/76/1066021976.db2.gz SEWGEIAVXSAWLH-UHFFFAOYSA-N 0 0 457.496 4.914 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCCOC(F)(F)F)c1C ZINC001360877061 1066022102 /nfs/dbraw/zinc/02/21/02/1066022102.db2.gz HDEZTAXVXOLMKL-SBHAEUEKSA-N 0 0 482.547 4.967 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc21 ZINC001441280697 1066022291 /nfs/dbraw/zinc/02/22/91/1066022291.db2.gz QWGFAWLJAOBCMI-HNNXBMFYSA-N 0 0 453.543 4.934 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001441281515 1066022383 /nfs/dbraw/zinc/02/23/83/1066022383.db2.gz APIHFYACNDUNOX-QGZVFWFLSA-N 0 0 452.551 4.808 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCC(=O)NC(C)(C)C)c1C ZINC001360877118 1066022543 /nfs/dbraw/zinc/02/25/43/1066022543.db2.gz IBNYAPWNNDMCKR-NJYVYQBISA-N 0 0 453.631 4.719 20 0 JJADRN COc1cc(NC(=O)c2coc3cc(O)ccc23)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441291644 1066022713 /nfs/dbraw/zinc/02/27/13/1066022713.db2.gz SGXWGIVTCGIPNE-GJZGRUSLSA-N 0 0 452.507 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@]2(C)CCCO2)c1C ZINC001360877356 1066023010 /nfs/dbraw/zinc/02/30/10/1066023010.db2.gz KLVNPENFCGQYAJ-FPGHNAPASA-N 0 0 495.590 4.677 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001545939904 1066023112 /nfs/dbraw/zinc/02/31/12/1066023112.db2.gz NNFLTBSJPWDXNY-OALUTQOASA-N 0 0 494.665 4.762 20 0 JJADRN COc1cc(N)c(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc1Br ZINC001441297253 1066023232 /nfs/dbraw/zinc/02/32/32/1066023232.db2.gz SOZVFJMMIZXAFW-IBGZPJMESA-N 0 0 455.356 4.723 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)no2)C1 ZINC001441302439 1066023796 /nfs/dbraw/zinc/02/37/96/1066023796.db2.gz AUYKDAPWSXHMHP-CALCHBBNSA-N 0 0 450.564 4.586 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)c2cccs2)c1C ZINC001360877821 1066023901 /nfs/dbraw/zinc/02/39/01/1066023901.db2.gz OEZXFMFUYLQQMV-PMACEKPBSA-N 0 0 481.666 4.776 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3c(Cl)oc4ccccc43)cc2)CC1 ZINC001360877783 1066024007 /nfs/dbraw/zinc/02/40/07/1066024007.db2.gz LDSHKBTYJKQUSL-UHFFFAOYSA-N 0 0 454.910 4.754 20 0 JJADRN CC(C)(C)c1ccc2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4OC(F)F)CC3)cc2c1 ZINC001441306131 1066024335 /nfs/dbraw/zinc/02/43/35/1066024335.db2.gz HDLMLYSCRNTVMC-UHFFFAOYSA-N 0 0 455.505 4.665 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCO[C@H](C)C2)c1C ZINC001360878035 1066024517 /nfs/dbraw/zinc/02/45/17/1066024517.db2.gz QIYCBVVSCZTWPV-GNLZIIPMSA-N 0 0 497.684 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cccnc2OC2CCCC2)CC[C@@H]2CCCC[C@@H]21 ZINC001441309924 1066024423 /nfs/dbraw/zinc/02/44/23/1066024423.db2.gz LRAZPGSEKTZKFC-NYVOZVTQSA-N 0 0 457.615 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)C1 ZINC001441313916 1066025429 /nfs/dbraw/zinc/02/54/29/1066025429.db2.gz QOPCIDBTFMXXTN-QFIPXVFZSA-N 0 0 451.567 4.554 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCCSC2)c1C ZINC001360878498 1066026519 /nfs/dbraw/zinc/02/65/19/1066026519.db2.gz VTPXXMVVZRHPPD-WOJBJXKFSA-N 0 0 479.641 4.565 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4nccnc4C)CC3)n2CCC(C)(F)F)c1C ZINC001360878598 1066026590 /nfs/dbraw/zinc/02/65/90/1066026590.db2.gz WOQPOXNERLHSBQ-HXUWFJFHSA-N 0 0 485.583 4.505 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001360878622 1066026634 /nfs/dbraw/zinc/02/66/34/1066026634.db2.gz WWDRRFBABRHCQQ-NJDAHSKKSA-N 0 0 489.611 4.917 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSCC3)n2CCOc2ncccc2Cl)c1C ZINC001360879117 1066029064 /nfs/dbraw/zinc/02/90/64/1066029064.db2.gz GEHMJVIHIQRZPG-GOSISDBHSA-N 0 0 474.030 4.716 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360879099 1066029098 /nfs/dbraw/zinc/02/90/98/1066029098.db2.gz FWRUWSUTCSJGJM-RBBKRZOGSA-N 0 0 487.714 4.918 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNc2ccccn2)c1C ZINC001360879172 1066029520 /nfs/dbraw/zinc/02/95/20/1066029520.db2.gz HNARWKAEFAVOIP-YADHBBJMSA-N 0 0 478.641 4.936 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4ccco4)C3)n2CCCOC(F)F)c1C ZINC001360879200 1066029658 /nfs/dbraw/zinc/02/96/58/1066029658.db2.gz HWPXFWZPIWPKRE-NQIIRXRSSA-N 0 0 476.524 4.835 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC2(O)CCCC2)c1C ZINC001360879216 1066029909 /nfs/dbraw/zinc/02/99/09/1066029909.db2.gz IAUBVKGCNATGLV-RLWLMLJZSA-N 0 0 470.658 4.981 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339083 1066030297 /nfs/dbraw/zinc/03/02/97/1066030297.db2.gz GNMVTQDQWQNZQT-GTNSWQLSSA-N 0 0 458.139 4.620 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)C3)n2CC[S@](=O)C(C)(C)C)c1C ZINC001360879398 1066030396 /nfs/dbraw/zinc/03/03/96/1066030396.db2.gz KPASQZCFEDUAGJ-JEUIMVHRSA-N 0 0 464.701 4.524 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CC[S@@](=O)C(C)(C)C)c1C ZINC001360879400 1066030408 /nfs/dbraw/zinc/03/04/08/1066030408.db2.gz KPASQZCFEDUAGJ-VRKJNYRMSA-N 0 0 464.701 4.524 20 0 JJADRN CNC(=O)COc1cccc(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)c1 ZINC001441337664 1066030577 /nfs/dbraw/zinc/03/05/77/1066030577.db2.gz URLKWJNAZDDRRB-QGZVFWFLSA-N 0 0 451.954 4.819 20 0 JJADRN O=C(NCc1ccc(-n2cncn2)nc1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001441343086 1066030756 /nfs/dbraw/zinc/03/07/56/1066030756.db2.gz NVCIPNBUUQVMMW-NRFANRHFSA-N 0 0 453.930 4.605 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cc2O)c2ccccc2)cc1 ZINC001441341872 1066031058 /nfs/dbraw/zinc/03/10/58/1066031058.db2.gz MKBREBYBZYFGFT-HXUWFJFHSA-N 0 0 453.336 4.963 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)c1C ZINC001360879713 1066031207 /nfs/dbraw/zinc/03/12/07/1066031207.db2.gz OXIOPGSEUYXAFA-CTNGQTDRSA-N 0 0 487.645 4.565 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OC(F)(F)Cl)cc1 ZINC001441347494 1066031373 /nfs/dbraw/zinc/03/13/73/1066031373.db2.gz LLPZWAWEYSWQQW-UHFFFAOYSA-N 0 0 452.866 4.908 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2nccs2)c1C ZINC001360879720 1066031507 /nfs/dbraw/zinc/03/15/07/1066031507.db2.gz PAIJGCVKQFAUPY-FUHWJXTLSA-N 0 0 481.544 4.502 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCSC(C)C)c1C ZINC001360880032 1066031900 /nfs/dbraw/zinc/03/19/00/1066031900.db2.gz UZBWTXVKNGALNH-MZYLBHOOSA-N 0 0 474.671 4.561 20 0 JJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ncsc1Nc1ccccc1 ZINC001441351483 1066032024 /nfs/dbraw/zinc/03/20/24/1066032024.db2.gz WNOROANSAWGZBG-UHFFFAOYSA-N 0 0 450.545 4.940 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)cn1 ZINC001441352324 1066032168 /nfs/dbraw/zinc/03/21/68/1066032168.db2.gz ARDXMNKNNISIPL-UHFFFAOYSA-N 0 0 453.499 4.524 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360880300 1066032828 /nfs/dbraw/zinc/03/28/28/1066032828.db2.gz ZCZAGKGJJZYIJB-KURKYZTESA-N 0 0 458.657 4.573 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC001360880386 1066033051 /nfs/dbraw/zinc/03/30/51/1066033051.db2.gz AKTMHPUXBLMPJX-LOSJGSFVSA-N 0 0 456.652 4.753 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCc2cn[nH]c2)c1C ZINC001360880358 1066033299 /nfs/dbraw/zinc/03/32/99/1066033299.db2.gz ZWGCHHVWGOPZCE-FQRUVTKNSA-N 0 0 466.630 4.642 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC(=O)NC(C)C)c1C ZINC001360881225 1066034232 /nfs/dbraw/zinc/03/42/32/1066034232.db2.gz IIKWSZXFKUDABG-NZSAHSFTSA-N 0 0 481.563 4.584 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3cccc(N(C)C(=O)OC(C)(C)C)c3)CC2)cc1 ZINC001360881359 1066034684 /nfs/dbraw/zinc/03/46/84/1066034684.db2.gz RQIKPENGXFMMOQ-UHFFFAOYSA-N 0 0 452.599 4.523 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360882069 1066035392 /nfs/dbraw/zinc/03/53/92/1066035392.db2.gz WYZWJXDNRJQUIG-LMNJBCLMSA-N 0 0 487.620 4.696 20 0 JJADRN O=C(NCC1(c2cccc(Cl)c2)CC1)C1(c2ccc(I)cc2)CC1 ZINC001360882448 1066035643 /nfs/dbraw/zinc/03/56/43/1066035643.db2.gz LFLUOEZQOPDJGC-UHFFFAOYSA-N 0 0 451.735 4.824 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001360882279 1066035694 /nfs/dbraw/zinc/03/56/94/1066035694.db2.gz DMJVHCKMBZOKHK-UHFFFAOYSA-N 0 0 453.564 4.856 20 0 JJADRN O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1snc(Cl)c1Cl ZINC001441370991 1066035894 /nfs/dbraw/zinc/03/58/94/1066035894.db2.gz LOCISTTZCXPHDF-NSHDSACASA-N 0 0 452.285 4.562 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001360882862 1066036200 /nfs/dbraw/zinc/03/62/00/1066036200.db2.gz BNVLFKKVNORWHW-LJQANCHMSA-N 0 0 485.604 4.971 20 0 JJADRN COc1ccc2[nH]cc(C3=CCN(C(=O)C[C@@H]4CCC[C@H]4NC(=O)OC(C)(C)C)CC3)c2c1 ZINC001441394893 1066037372 /nfs/dbraw/zinc/03/73/72/1066037372.db2.gz LIJRWKFTNYCRNL-PGRDOPGGSA-N 0 0 453.583 4.876 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)NCCCNc1ccc(C(F)(F)F)cn1 ZINC001441400091 1066037826 /nfs/dbraw/zinc/03/78/26/1066037826.db2.gz RSCSMSNVBRVISC-UHFFFAOYSA-N 0 0 450.686 4.677 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)=C(C)C2)s1 ZINC001360883741 1066037848 /nfs/dbraw/zinc/03/78/48/1066037848.db2.gz XKPKRIOAMMCTHH-UHFFFAOYSA-N 0 0 456.015 4.826 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCc2ccccc2)CC1 ZINC001360884767 1066038628 /nfs/dbraw/zinc/03/86/28/1066038628.db2.gz GLDIFFLRYMBWDV-UHFFFAOYSA-N 0 0 456.388 4.799 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(I)cc3Cl)C2)cc1 ZINC001360884506 1066038673 /nfs/dbraw/zinc/03/86/73/1066038673.db2.gz WDJDEERMLPHSED-HNNXBMFYSA-N 0 0 454.739 4.652 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001441407523 1066038916 /nfs/dbraw/zinc/03/89/16/1066038916.db2.gz SEKUKBDSXGOAHO-UHFFFAOYSA-N 0 0 458.952 4.845 20 0 JJADRN O=C(/C=C\c1ccccc1OCc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001441414639 1066039395 /nfs/dbraw/zinc/03/93/95/1066039395.db2.gz DHVQDUDKAHMNGO-PFONDFGASA-N 0 0 458.533 4.839 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)CC1 ZINC001441419701 1066039575 /nfs/dbraw/zinc/03/95/75/1066039575.db2.gz ZEGWHLYWJZHPEV-UHFFFAOYSA-N 0 0 454.411 4.763 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCOC[C@H]2C)CC1 ZINC001360885025 1066039710 /nfs/dbraw/zinc/03/97/10/1066039710.db2.gz PJRWGZHMKYZGMF-HSZRJFAPSA-N 0 0 467.658 4.637 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001360885049 1066039883 /nfs/dbraw/zinc/03/98/83/1066039883.db2.gz QNDZNZWSXJBRSS-UHFFFAOYSA-N 0 0 497.441 4.527 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(F)cc3Br)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360885044 1066040056 /nfs/dbraw/zinc/04/00/56/1066040056.db2.gz QIFJDMTZFCAMCM-LJQANCHMSA-N 0 0 493.421 4.979 20 0 JJADRN C[C@@H](NC(=O)CCC(=O)Nc1c(F)cccc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441424404 1066039965 /nfs/dbraw/zinc/03/99/65/1066039965.db2.gz CQLLSXOVXKEBTL-MRXNPFEDSA-N 0 0 451.473 4.813 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)c2cc(F)cc(F)c2)c1 ZINC001360885788 1066040477 /nfs/dbraw/zinc/04/04/77/1066040477.db2.gz WFUSUISRIHSZRG-UHFFFAOYSA-N 0 0 458.477 4.649 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(-c3csnn3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC001441428929 1066040956 /nfs/dbraw/zinc/04/09/56/1066040956.db2.gz ZMUUVDPXUSUHJV-UHFFFAOYSA-N 0 0 450.545 4.567 20 0 JJADRN C[C@H](CNC(=O)Cc1csc(-c2sccc2Br)n1)Oc1ccccc1F ZINC001360887005 1066041028 /nfs/dbraw/zinc/04/10/28/1066041028.db2.gz LQSJVRVDXQYYJD-LLVKDONJSA-N 0 0 455.374 4.899 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001360887068 1066041098 /nfs/dbraw/zinc/04/10/98/1066041098.db2.gz NYCXTFMRUFEZCS-QFBILLFUSA-N 0 0 455.480 4.826 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CSCCS2)CC1 ZINC001360887628 1066041110 /nfs/dbraw/zinc/04/11/10/1066041110.db2.gz BJYUDNYOLDIBLC-VQTJNVASSA-N 0 0 493.743 4.788 20 0 JJADRN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001360886906 1066041241 /nfs/dbraw/zinc/04/12/41/1066041241.db2.gz ITOIAOXCNWFOGK-SJORKVTESA-N 0 0 458.530 4.538 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)cc1 ZINC001545941796 1066041675 /nfs/dbraw/zinc/04/16/75/1066041675.db2.gz ADDKQQRBIVYUCC-UHFFFAOYSA-N 0 0 456.474 4.793 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CC1 ZINC001360888301 1066041613 /nfs/dbraw/zinc/04/16/13/1066041613.db2.gz UGRYEKHAKJKMEY-RTWAWAEBSA-N 0 0 459.635 4.508 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC001360888795 1066041964 /nfs/dbraw/zinc/04/19/64/1066041964.db2.gz IIHDTDMGELWNNV-CYBMUJFWSA-N 0 0 457.017 4.545 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)cn2c1 ZINC001545942038 1066042146 /nfs/dbraw/zinc/04/21/46/1066042146.db2.gz IAGZVDWKYDCWKT-XMMPIXPASA-N 0 0 457.574 4.754 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001360889411 1066042217 /nfs/dbraw/zinc/04/22/17/1066042217.db2.gz FFMBXKIHLFMFRK-QFIPXVFZSA-N 0 0 485.604 4.515 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001360889507 1066042230 /nfs/dbraw/zinc/04/22/30/1066042230.db2.gz JAKVYBMDODZHPI-QFIPXVFZSA-N 0 0 483.613 4.642 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 ZINC001360889478 1066042257 /nfs/dbraw/zinc/04/22/57/1066042257.db2.gz HTLLXHAKQYNEOL-FQEVSTJZSA-N 0 0 487.670 4.746 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC001360889226 1066042274 /nfs/dbraw/zinc/04/22/74/1066042274.db2.gz XNKZYGXBTYVVCN-LBPRGKRZSA-N 0 0 459.395 4.821 20 0 JJADRN C[C@@H](NC(=O)COc1cccc(I)c1)c1cccc(Cl)c1Cl ZINC001360889097 1066042335 /nfs/dbraw/zinc/04/23/35/1066042335.db2.gz SYFPLUCHECDQOA-SNVBAGLBSA-N 0 0 450.103 4.854 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCC(F)F)CC1 ZINC001360889691 1066042706 /nfs/dbraw/zinc/04/27/06/1066042706.db2.gz PBERQJFKKUTRSV-UHFFFAOYSA-N 0 0 457.500 4.642 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1 ZINC001360890803 1066043099 /nfs/dbraw/zinc/04/30/99/1066043099.db2.gz RECZPCUPLLICSM-KRWDZBQOSA-N 0 0 458.530 4.714 20 0 JJADRN CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1 ZINC001441462387 1066043172 /nfs/dbraw/zinc/04/31/72/1066043172.db2.gz GDITVTFORJIUSV-HNNXBMFYSA-N 0 0 458.990 4.718 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001360891873 1066043478 /nfs/dbraw/zinc/04/34/78/1066043478.db2.gz FJXOZWUUFWQIKG-QFIPXVFZSA-N 0 0 486.682 4.660 20 0 JJADRN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360892232 1066043936 /nfs/dbraw/zinc/04/39/36/1066043936.db2.gz QCMPYCAIINXVTN-HXUWFJFHSA-N 0 0 483.657 4.949 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)=C(C)C2)n1C[C@@]1(C)COCCO1 ZINC001360892342 1066044099 /nfs/dbraw/zinc/04/40/99/1066044099.db2.gz UMKBIYNUNRAIJA-VWLOTQADSA-N 0 0 475.033 4.604 20 0 JJADRN Cc1nc(CN2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCC(C)C)CC2)oc1C ZINC001360892970 1066045116 /nfs/dbraw/zinc/04/51/16/1066045116.db2.gz SSLXUNLPXZEEIQ-HXUWFJFHSA-N 0 0 470.593 4.530 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCc2ccco2)CC1 ZINC001360892785 1066045136 /nfs/dbraw/zinc/04/51/36/1066045136.db2.gz MFTOUDNKWBRNLS-UHFFFAOYSA-N 0 0 490.391 4.620 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3CCc3ccccc3C(F)(F)F)CC2)oc1C ZINC001360892981 1066045215 /nfs/dbraw/zinc/04/52/15/1066045215.db2.gz SZUAWKXJTYNIOX-UHFFFAOYSA-N 0 0 476.547 4.590 20 0 JJADRN CC(C)(C(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001441479723 1066045397 /nfs/dbraw/zinc/04/53/97/1066045397.db2.gz IAABXPYGBPKUOI-UHFFFAOYSA-N 0 0 457.983 4.800 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3ccnc(OC(F)F)c3)C2)sc1C ZINC001360893915 1066046147 /nfs/dbraw/zinc/04/61/47/1066046147.db2.gz AJIKAGYVPMWRKS-QGZVFWFLSA-N 0 0 462.570 4.904 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC(C)C)C2)sc1C ZINC001360894163 1066046538 /nfs/dbraw/zinc/04/65/38/1066046538.db2.gz JQZDVTGQPSXQIQ-MRXNPFEDSA-N 0 0 493.475 4.918 20 0 JJADRN C[C@@H](CNC(=O)CCc1cccc(OCc2ccccc2)c1)N1CCN(c2ccccc2)CC1 ZINC001441491807 1066046635 /nfs/dbraw/zinc/04/66/35/1066046635.db2.gz HJSTTXDYWAALEF-DEOSSOPVSA-N 0 0 457.618 4.525 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CCCN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360894274 1066046878 /nfs/dbraw/zinc/04/68/78/1066046878.db2.gz MDOMJQKRVIDEAO-LJQANCHMSA-N 0 0 499.685 4.988 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3cccc(C(=O)N(C)C)c3)C2)sc1C ZINC001360894342 1066046925 /nfs/dbraw/zinc/04/69/25/1066046925.db2.gz NVBAXRYHLMOAMF-QFIPXVFZSA-N 0 0 494.709 4.977 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3cccc(C(=O)N(C)C)c3)C2)sc1C ZINC001360894341 1066046976 /nfs/dbraw/zinc/04/69/76/1066046976.db2.gz NVBAXRYHLMOAMF-JOCHJYFZSA-N 0 0 494.709 4.977 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCc3ccc(NC(=O)CCCOc4ccccc4)cc3)[nH]n2)o1 ZINC001441508981 1066047531 /nfs/dbraw/zinc/04/75/31/1066047531.db2.gz XWVSNDKDWWVELK-UHFFFAOYSA-N 0 0 458.518 4.706 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1nccnc1C ZINC001492597614 1066047560 /nfs/dbraw/zinc/04/75/60/1066047560.db2.gz BTAZXELKKCZTDL-UHFFFAOYSA-N 0 0 478.000 4.548 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCCC(C)C)CC2)oc1C ZINC001360895052 1066047672 /nfs/dbraw/zinc/04/76/72/1066047672.db2.gz ZSJHURPRIGDKHQ-UHFFFAOYSA-N 0 0 487.048 4.588 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCOC(C)(C)C)C2)sc1C ZINC001360894914 1066047706 /nfs/dbraw/zinc/04/77/06/1066047706.db2.gz XQICYGFUNUQDLU-NLFFAJNJSA-N 0 0 491.702 4.591 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccc(Cl)cc1 ZINC001545942640 1066048284 /nfs/dbraw/zinc/04/82/84/1066048284.db2.gz BDVCDBHUIJHBKB-CXAGYDPISA-N 0 0 457.928 4.533 20 0 JJADRN C[C@@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(NC(=O)NC2CC2)cc1 ZINC001441526009 1066048316 /nfs/dbraw/zinc/04/83/16/1066048316.db2.gz VGHDJLNKYBTDPR-ZLOXQWCVSA-N 0 0 458.921 4.524 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC001441534241 1066048799 /nfs/dbraw/zinc/04/87/99/1066048799.db2.gz VGBNYKTXIIHMFO-SBUREZEXSA-N 0 0 459.011 4.544 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC001441534234 1066048833 /nfs/dbraw/zinc/04/88/33/1066048833.db2.gz VGBNYKTXIIHMFO-GAJHUEQPSA-N 0 0 459.011 4.544 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@@H](C)C2)sc1C ZINC001360895806 1066048802 /nfs/dbraw/zinc/04/88/02/1066048802.db2.gz MOSANAPOHOLJEJ-ZDUSSCGKSA-N 0 0 465.595 4.804 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC4CC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)sc1C ZINC001360895780 1066049003 /nfs/dbraw/zinc/04/90/03/1066049003.db2.gz LYIQLLWFKLZHQI-IBGZPJMESA-N 0 0 488.702 4.991 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC001441543680 1066049269 /nfs/dbraw/zinc/04/92/69/1066049269.db2.gz SWFUCPWSBZJXSB-MAUKXSAKSA-N 0 0 453.421 4.926 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOC(C)(C)C)sc1C ZINC001360895977 1066049319 /nfs/dbraw/zinc/04/93/19/1066049319.db2.gz QKJVPWSCFDNFQB-UHFFFAOYSA-N 0 0 481.464 4.603 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(Cc4ccsc4)n3CCOCC(F)F)C2)sc1C ZINC001360896213 1066049820 /nfs/dbraw/zinc/04/98/20/1066049820.db2.gz XNXMUUIDWFYCBW-KRWDZBQOSA-N 0 0 467.611 4.669 20 0 JJADRN C[C@H]1CN([C@@H](CNC(=O)c2cc3cc(Cl)sc3[nH]2)c2c(F)cccc2Cl)CCO1 ZINC001441547555 1066050257 /nfs/dbraw/zinc/05/02/57/1066050257.db2.gz ZPXXDLAILDZBOZ-ZBEGNZNMSA-N 0 0 456.370 4.867 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)sc1C ZINC001360897338 1066050676 /nfs/dbraw/zinc/05/06/76/1066050676.db2.gz BVUADVIOXAPUDM-RDJZCZTQSA-N 0 0 461.582 4.964 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)NC(=O)OC(C)(C)C ZINC001441560414 1066051109 /nfs/dbraw/zinc/05/11/09/1066051109.db2.gz MWJKFOHNSRSCTL-LNLFQRSKSA-N 0 0 451.583 4.707 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccccc2O[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC001360898297 1066051130 /nfs/dbraw/zinc/05/11/30/1066051130.db2.gz YBJBZGSUHZKNIK-HFZDXXHNSA-N 0 0 451.950 4.965 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)CCOc2ccccc2Cl)sc1C ZINC001360898694 1066051389 /nfs/dbraw/zinc/05/13/89/1066051389.db2.gz ZAVFCOQOQLCKGA-SFHVURJKSA-N 0 0 476.046 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001441562949 1066051516 /nfs/dbraw/zinc/05/15/16/1066051516.db2.gz GMMXLIADVPSGPH-HXUWFJFHSA-N 0 0 453.986 4.522 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)sc1C ZINC001360898797 1066051816 /nfs/dbraw/zinc/05/18/16/1066051816.db2.gz DABSQTYLBQABGG-QGZVFWFLSA-N 0 0 469.655 4.696 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)sc1C ZINC001360898770 1066051951 /nfs/dbraw/zinc/05/19/51/1066051951.db2.gz CIEVVEFKVDLVEG-YJBOKZPZSA-N 0 0 476.691 4.532 20 0 JJADRN Cc1cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1OC(F)(F)F ZINC001441574906 1066052033 /nfs/dbraw/zinc/05/20/33/1066052033.db2.gz UPGIOMYZKPXJGE-UHFFFAOYSA-N 0 0 452.742 4.539 20 0 JJADRN CN(C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360899073 1066052174 /nfs/dbraw/zinc/05/21/74/1066052174.db2.gz FZZAFKAZRRLSLV-LLVKDONJSA-N 0 0 456.383 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)CC1 ZINC001441571691 1066052171 /nfs/dbraw/zinc/05/21/71/1066052171.db2.gz YOAQKASTPZIIDX-UHFFFAOYSA-N 0 0 456.768 4.713 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360899368 1066052559 /nfs/dbraw/zinc/05/25/59/1066052559.db2.gz MHHKGAUNVYLBLD-KRWDZBQOSA-N 0 0 464.060 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC(F)(F)c1ccccc1 ZINC001545943138 1066052923 /nfs/dbraw/zinc/05/29/23/1066052923.db2.gz UPJJNGANFKEDIX-RHSMWYFYSA-N 0 0 473.490 4.623 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360899878 1066052977 /nfs/dbraw/zinc/05/29/77/1066052977.db2.gz UMBGRIPNORDERV-DFBJGRDBSA-N 0 0 469.655 4.832 20 0 JJADRN Cc1nc(CCn2c(CCOc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)sc1C ZINC001360899843 1066053071 /nfs/dbraw/zinc/05/30/71/1066053071.db2.gz SPSXIWYETUAYBO-AREMUKBSSA-N 0 0 483.682 4.857 20 0 JJADRN CC(=O)N1CCCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 ZINC001360899933 1066053496 /nfs/dbraw/zinc/05/34/96/1066053496.db2.gz VGLZLXLDGBKNHE-NRFANRHFSA-N 0 0 451.567 4.822 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360899880 1066053542 /nfs/dbraw/zinc/05/35/42/1066053542.db2.gz UMBGRIPNORDERV-UQBPGWFLSA-N 0 0 469.655 4.832 20 0 JJADRN C[C@@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC001441610247 1066053713 /nfs/dbraw/zinc/05/37/13/1066053713.db2.gz VAEUZCHNVREDBR-ZHRRBRCNSA-N 0 0 451.567 4.651 20 0 JJADRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)sc1C ZINC001360900091 1066053866 /nfs/dbraw/zinc/05/38/66/1066053866.db2.gz YDTLVNONUILMKF-UHFFFAOYSA-N 0 0 483.585 4.594 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(Br)c3)CC2)cc1Cl ZINC001441614150 1066054082 /nfs/dbraw/zinc/05/40/82/1066054082.db2.gz OWGXLCPSSCUHFC-UHFFFAOYSA-N 0 0 450.764 4.709 20 0 JJADRN Cc1nc(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(CC(C)C)C(C)C)sc1C ZINC001360900956 1066054260 /nfs/dbraw/zinc/05/42/60/1066054260.db2.gz AIOKJJRLBYDSIX-UHFFFAOYSA-N 0 0 489.715 4.539 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)sc1C ZINC001360901132 1066054491 /nfs/dbraw/zinc/05/44/91/1066054491.db2.gz GKYKGMGABPCRHN-FOIQADDNSA-N 0 0 487.073 4.998 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)sc1C ZINC001360901133 1066054729 /nfs/dbraw/zinc/05/47/29/1066054729.db2.gz GKYKGMGABPCRHN-MGPUTAFESA-N 0 0 487.073 4.998 20 0 JJADRN Cc1csc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1Br ZINC001441617182 1066054723 /nfs/dbraw/zinc/05/47/23/1066054723.db2.gz XXBRXUJXPXTVRR-UHFFFAOYSA-N 0 0 456.793 4.771 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CC=CCC2)sc1C ZINC001360901554 1066054925 /nfs/dbraw/zinc/05/49/25/1066054925.db2.gz UPGDLNDFQKNISP-LJQANCHMSA-N 0 0 485.057 4.776 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)CC[C@@H]2C)sc1C ZINC001360901687 1066055402 /nfs/dbraw/zinc/05/54/02/1066055402.db2.gz YOECBQMFYBMQQD-STQMWFEESA-N 0 0 463.449 4.793 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCc2ccccn2)sc1C ZINC001360902234 1066055937 /nfs/dbraw/zinc/05/59/37/1066055937.db2.gz DFOTXZUJAOGTDZ-UHFFFAOYSA-N 0 0 454.003 4.579 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@H]2CCOC2)sc1C ZINC001360902302 1066055952 /nfs/dbraw/zinc/05/59/52/1066055952.db2.gz FUUCKDPLZASPRU-HXUWFJFHSA-N 0 0 469.655 4.964 20 0 JJADRN COc1ccc(F)cc1[C@H](C)NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 ZINC001441625953 1066055803 /nfs/dbraw/zinc/05/58/03/1066055803.db2.gz PKHWEPQUTAJMLJ-MNDQTTCKSA-N 0 0 452.592 4.581 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccccc2OCc2ccccc2)c1 ZINC001441627085 1066056302 /nfs/dbraw/zinc/05/63/02/1066056302.db2.gz VSURNNDDHAPBOB-UHFFFAOYSA-N 0 0 458.587 4.828 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C ZINC001360902989 1066056552 /nfs/dbraw/zinc/05/65/52/1066056552.db2.gz UXLNUUWQMRWCKT-YVHKJVDXSA-N 0 0 458.521 4.557 20 0 JJADRN Cc1nc(Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360904182 1066057524 /nfs/dbraw/zinc/05/75/24/1066057524.db2.gz DYLGNPDVWULCNA-NRFANRHFSA-N 0 0 496.681 4.678 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@H](C)C2)sc1C ZINC001360904179 1066057587 /nfs/dbraw/zinc/05/75/87/1066057587.db2.gz DTSIUOKPTLTMON-MBOZVWFJSA-N 0 0 488.702 4.997 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@@H](C)C2)sc1C ZINC001360904177 1066057612 /nfs/dbraw/zinc/05/76/12/1066057612.db2.gz DTSIUOKPTLTMON-ABSDTBQOSA-N 0 0 488.702 4.997 20 0 JJADRN CCN(Cc1ccccc1NC(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC001441651058 1066057739 /nfs/dbraw/zinc/05/77/39/1066057739.db2.gz MGWCKUDATLBLRC-QHCPKHFHSA-N 0 0 453.583 4.665 20 0 JJADRN Cc1nc(Cn2c(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)sc1C ZINC001360904584 1066057923 /nfs/dbraw/zinc/05/79/23/1066057923.db2.gz AXYFWMVMWZLYTR-MRXNPFEDSA-N 0 0 476.691 4.827 20 0 JJADRN Cc1nc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(F)(F)CC2)sc1C ZINC001360904492 1066057953 /nfs/dbraw/zinc/05/79/53/1066057953.db2.gz KKKJONXFYLUFOV-UHFFFAOYSA-N 0 0 496.628 4.750 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)sc1C ZINC001360904671 1066058215 /nfs/dbraw/zinc/05/82/15/1066058215.db2.gz MHJKUDSIQSROHB-RKXCMPKHSA-N 0 0 459.685 4.923 20 0 JJADRN Cc1nc(Cn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)sc1C ZINC001360904813 1066058340 /nfs/dbraw/zinc/05/83/40/1066058340.db2.gz OENOYIMWQXUBKX-UHFFFAOYSA-N 0 0 488.683 4.546 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)sc1C ZINC001360904669 1066058369 /nfs/dbraw/zinc/05/83/69/1066058369.db2.gz MHJKUDSIQSROHB-MKTHODDLSA-N 0 0 459.685 4.923 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)C2CCC2)sc1C ZINC001360904776 1066058449 /nfs/dbraw/zinc/05/84/49/1066058449.db2.gz FAGNHWLTQWKUDV-UHFFFAOYSA-N 0 0 462.417 4.730 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441662622 1066058663 /nfs/dbraw/zinc/05/86/63/1066058663.db2.gz MAPYNNNHXWWKCG-AUFNVCJYSA-N 0 0 454.979 4.526 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)sc1C ZINC001360905051 1066058774 /nfs/dbraw/zinc/05/87/74/1066058774.db2.gz RGADCGCKTPPDGI-INIZCTEOSA-N 0 0 499.006 4.717 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)sc1C ZINC001360905052 1066058815 /nfs/dbraw/zinc/05/88/15/1066058815.db2.gz RGADCGCKTPPDGI-MRXNPFEDSA-N 0 0 499.006 4.717 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC001441665908 1066059120 /nfs/dbraw/zinc/05/91/20/1066059120.db2.gz BIYAEKNWIISVTB-UHFFFAOYSA-N 0 0 456.999 4.959 20 0 JJADRN Cc1sccc1C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001441666560 1066059224 /nfs/dbraw/zinc/05/92/24/1066059224.db2.gz FVUZUYYTDZYGLT-CYBMUJFWSA-N 0 0 450.486 4.644 20 0 JJADRN Cc1nc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)sc1C ZINC001360905151 1066059170 /nfs/dbraw/zinc/05/91/70/1066059170.db2.gz VAFJNGPILMITFH-HXUWFJFHSA-N 0 0 498.672 4.508 20 0 JJADRN Cc1nc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(OC(F)F)c2)sc1C ZINC001360905293 1066059482 /nfs/dbraw/zinc/05/94/82/1066059482.db2.gz WTCKKCSUTZCAPO-UHFFFAOYSA-N 0 0 470.549 4.623 20 0 JJADRN Cc1nc(Cn2c(N(C)[C@H](C)c3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001360905541 1066059837 /nfs/dbraw/zinc/05/98/37/1066059837.db2.gz TXQWTYFYSSWYQS-OSPHWJPCSA-N 0 0 473.618 4.777 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)ccc1OCCC(C)C ZINC001441674569 1066059914 /nfs/dbraw/zinc/05/99/14/1066059914.db2.gz ONQLSPKYGUCGIW-KNQAVFIVSA-N 0 0 453.583 4.994 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441674728 1066060295 /nfs/dbraw/zinc/06/02/95/1066060295.db2.gz UAMFMHDQTLVXFV-UUOWRZLLSA-N 0 0 452.542 4.808 20 0 JJADRN CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001360906481 1066060386 /nfs/dbraw/zinc/06/03/86/1066060386.db2.gz FUMKJQFFURRTFB-INIZCTEOSA-N 0 0 455.363 4.933 20 0 JJADRN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001441675426 1066060450 /nfs/dbraw/zinc/06/04/50/1066060450.db2.gz VJTJBUUESSZGNM-AWEZNQCLSA-N 0 0 452.452 4.758 20 0 JJADRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001441675430 1066060492 /nfs/dbraw/zinc/06/04/92/1066060492.db2.gz VJTJBUUESSZGNM-CQSZACIVSA-N 0 0 452.452 4.758 20 0 JJADRN CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC001441681689 1066060679 /nfs/dbraw/zinc/06/06/79/1066060679.db2.gz ALSFCTXKCWSFQU-NHCUHLMSSA-N 0 0 456.652 4.726 20 0 JJADRN CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1C ZINC001441687488 1066061089 /nfs/dbraw/zinc/06/10/89/1066061089.db2.gz AWZLDTGQEDFASG-JOCHJYFZSA-N 0 0 456.633 4.601 20 0 JJADRN CCN(C(=O)c1ccc(NC(C)=O)c(Cl)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906898 1066061286 /nfs/dbraw/zinc/06/12/86/1066061286.db2.gz NCIIMPZQYLOTLN-UHFFFAOYSA-N 0 0 458.006 4.651 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001441684643 1066061306 /nfs/dbraw/zinc/06/13/06/1066061306.db2.gz XBZQBTGENJTFFD-UHFFFAOYSA-N 0 0 452.599 4.790 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCNc3ncccc3C(F)(F)F)c12 ZINC001441688743 1066061608 /nfs/dbraw/zinc/06/16/08/1066061608.db2.gz AEVWYQTVHKKFHE-UHFFFAOYSA-N 0 0 459.428 4.691 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1C ZINC001360907357 1066061609 /nfs/dbraw/zinc/06/16/09/1066061609.db2.gz DAABLBPOMIORRW-XLIONFOSSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1C ZINC001360907356 1066061694 /nfs/dbraw/zinc/06/16/94/1066061694.db2.gz DAABLBPOMIORRW-PXNSSMCTSA-N 0 0 466.655 4.774 20 0 JJADRN O=C(NCCNc1ncccc1C(F)(F)F)c1cc2sc(Br)cc2s1 ZINC001441689527 1066061751 /nfs/dbraw/zinc/06/17/51/1066061751.db2.gz GEJFJOAGENLQAE-UHFFFAOYSA-N 0 0 450.305 4.981 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1OCc1ccncc1 ZINC001441694458 1066062016 /nfs/dbraw/zinc/06/20/16/1066062016.db2.gz ZFRWDZJESMMYPZ-BXKMTCNYSA-N 0 0 453.970 4.803 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC(C)C ZINC001360907426 1066062133 /nfs/dbraw/zinc/06/21/33/1066062133.db2.gz GBKWBIJNFKMPBS-MRXNPFEDSA-N 0 0 476.597 4.678 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@H]1CC=CCC1 ZINC001360907876 1066062403 /nfs/dbraw/zinc/06/24/03/1066062403.db2.gz SZMDTJCMSWADHB-AQNXPRMDSA-N 0 0 499.706 4.991 20 0 JJADRN C[C@@H](C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001441697929 1066062445 /nfs/dbraw/zinc/06/24/45/1066062445.db2.gz WGJNNFFLJAZZNE-LJQANCHMSA-N 0 0 454.615 4.751 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)(C)C)n1C[C@H](C)c1ccccc1 ZINC001360907853 1066062451 /nfs/dbraw/zinc/06/24/51/1066062451.db2.gz SPEDHLZGPCWMTQ-SFHVURJKSA-N 0 0 468.671 4.833 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)c1ncc(Cl)cc1Cl)Nc1ccccc1F ZINC001441703544 1066062888 /nfs/dbraw/zinc/06/28/88/1066062888.db2.gz QVSWHJYJBRAANA-UHFFFAOYSA-N 0 0 450.272 4.948 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C2CCCCC2)n1CCNC(=O)C(C)C ZINC001360908003 1066062895 /nfs/dbraw/zinc/06/28/95/1066062895.db2.gz XNQZKUPNLFLFTL-UHFFFAOYSA-N 0 0 466.655 4.918 20 0 JJADRN CCOCc1nc(C)c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)s1 ZINC001441702338 1066062943 /nfs/dbraw/zinc/06/29/43/1066062943.db2.gz LOTGXJKPKSDYQZ-UHFFFAOYSA-N 0 0 459.518 4.547 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@@H](CCc3ccccc3)c3ccccc3)cc2C=O)cc1 ZINC001441709212 1066063460 /nfs/dbraw/zinc/06/34/60/1066063460.db2.gz CFTJZKVMQWYMEF-SANMLTNESA-N 0 0 453.542 4.862 20 0 JJADRN Cc1c(C(=O)NCc2nc(-c3ccccc3)cs2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001441713712 1066063796 /nfs/dbraw/zinc/06/37/96/1066063796.db2.gz SUGLFDNZSOSGIZ-UHFFFAOYSA-N 0 0 457.481 4.707 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@@H]1CCCCO1 ZINC001360908647 1066063976 /nfs/dbraw/zinc/06/39/76/1066063976.db2.gz OMPQBSSELIABJE-INIZCTEOSA-N 0 0 451.518 4.945 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1CCc1ccc(Cl)cc1 ZINC001360908425 1066064003 /nfs/dbraw/zinc/06/40/03/1066064003.db2.gz KNWIRWKJEJGEGE-UHFFFAOYSA-N 0 0 497.015 4.534 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001441723048 1066064254 /nfs/dbraw/zinc/06/42/54/1066064254.db2.gz KJQIPUCANIOYMK-NYWHECAZSA-N 0 0 469.626 4.840 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1CC1=CCCOC1 ZINC001360908823 1066064482 /nfs/dbraw/zinc/06/44/82/1066064482.db2.gz RIYYBHMWLAMYTQ-UHFFFAOYSA-N 0 0 467.639 4.975 20 0 JJADRN O=C(Cc1ccccc1I)Nc1c(F)cc(Br)cc1F ZINC001360908747 1066064510 /nfs/dbraw/zinc/06/45/10/1066064510.db2.gz IBVHHISDALCDOP-UHFFFAOYSA-N 0 0 452.036 4.513 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001360908984 1066064771 /nfs/dbraw/zinc/06/47/71/1066064771.db2.gz UGENFFQKWJRBMM-OALUTQOASA-N 0 0 490.718 4.621 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001441726791 1066064845 /nfs/dbraw/zinc/06/48/45/1066064845.db2.gz ZVCRQSSTGXNJNE-FBIZOPLVSA-N 0 0 457.615 4.697 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CC1(O)CCOCC1 ZINC001360909037 1066065172 /nfs/dbraw/zinc/06/51/72/1066065172.db2.gz VPXGOIHXVCHDTH-UHFFFAOYSA-N 0 0 469.655 4.789 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCc2nccs2)n1CCCC(C)(C)C ZINC001360909069 1066065354 /nfs/dbraw/zinc/06/53/54/1066065354.db2.gz WYEJDAYMDNMZRG-UHFFFAOYSA-N 0 0 489.715 4.508 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1 ZINC001441737266 1066065629 /nfs/dbraw/zinc/06/56/29/1066065629.db2.gz BFCDPKRVMAGHMN-UHFFFAOYSA-N 0 0 452.561 4.615 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1cccc(-c2nccn2C)c1 ZINC001441736805 1066065750 /nfs/dbraw/zinc/06/57/50/1066065750.db2.gz LIPDQRSDSFLMPL-UHFFFAOYSA-N 0 0 453.663 4.784 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCCOC(C)C ZINC001360909216 1066065722 /nfs/dbraw/zinc/06/57/22/1066065722.db2.gz YPAKMYHWEQSCGD-UHFFFAOYSA-N 0 0 465.627 4.562 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1Cc1cccc(F)c1 ZINC001360909252 1066065785 /nfs/dbraw/zinc/06/57/85/1066065785.db2.gz ZMDHYGFXRKVDSM-UHFFFAOYSA-N 0 0 472.634 4.605 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC001441741470 1066066016 /nfs/dbraw/zinc/06/60/16/1066066016.db2.gz LCSHDRLDJULMHK-QHCPKHFHSA-N 0 0 452.551 4.864 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCOCC(F)F ZINC001360910379 1066066125 /nfs/dbraw/zinc/06/61/25/1066066125.db2.gz FCGNRFLPMMCDID-HOTGVXAUSA-N 0 0 477.581 4.662 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC=CCC2)n1CCN(C)CC(F)(F)F ZINC001360910333 1066066258 /nfs/dbraw/zinc/06/62/58/1066066258.db2.gz CQCJBNKZNPPGMS-UHFFFAOYSA-N 0 0 462.545 4.637 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@H](C(C)C)C2)n1CC(C)(C)C(F)(F)F ZINC001360910477 1066066733 /nfs/dbraw/zinc/06/67/33/1066066733.db2.gz HPLPCZOGDDVLHB-MRXNPFEDSA-N 0 0 486.608 4.617 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(CO)CC2)n1CCCOC(F)(F)F ZINC001360910551 1066066784 /nfs/dbraw/zinc/06/67/84/1066066784.db2.gz JMSWLJOVBDADPN-UHFFFAOYSA-N 0 0 481.544 4.512 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCCCCO ZINC001360910705 1066066955 /nfs/dbraw/zinc/06/69/55/1066066955.db2.gz NJPJLZWINCGAQE-CALCHBBNSA-N 0 0 457.669 4.870 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCSCCCO ZINC001360910647 1066066961 /nfs/dbraw/zinc/06/69/61/1066066961.db2.gz LSKCTJUATVFEKD-WMZOPIPTSA-N 0 0 457.669 4.727 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCSCCCO ZINC001360910617 1066067084 /nfs/dbraw/zinc/06/70/84/1066067084.db2.gz LDQLCNDUNDJHFZ-IRXDYDNUSA-N 0 0 489.736 4.823 20 0 JJADRN CCOCCCCNC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441746899 1066067192 /nfs/dbraw/zinc/06/71/92/1066067192.db2.gz LRXHHWUSPNBFPF-RUZDIDTESA-N 0 0 450.579 4.723 20 0 JJADRN COCCNc1nc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cs1 ZINC001441747112 1066067373 /nfs/dbraw/zinc/06/73/73/1066067373.db2.gz KTIVCUGMFOKXCV-UHFFFAOYSA-N 0 0 457.408 4.737 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@H]2C(C)C)n1CCCSCC(C)C ZINC001360910755 1066067353 /nfs/dbraw/zinc/06/73/53/1066067353.db2.gz OKJWMKHYEAVVOU-HXUWFJFHSA-N 0 0 492.759 4.951 20 0 JJADRN COC(=O)Cc1sccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001441745902 1066067451 /nfs/dbraw/zinc/06/74/51/1066067451.db2.gz IJSQRRFOAOPSSO-UHFFFAOYSA-N 0 0 451.367 4.526 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCOCC2)n1CC(C)(C)C(F)(F)F ZINC001360910872 1066067443 /nfs/dbraw/zinc/06/74/43/1066067443.db2.gz RQCLLSQSFXIVCC-UHFFFAOYSA-N 0 0 451.518 4.802 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCSCC(C)C ZINC001360910763 1066067493 /nfs/dbraw/zinc/06/74/93/1066067493.db2.gz ONPWCSJTMKPDHW-IBGZPJMESA-N 0 0 498.722 4.823 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001441748036 1066067819 /nfs/dbraw/zinc/06/78/19/1066067819.db2.gz JDYSYCCHWRRUFL-UHFFFAOYSA-N 0 0 455.483 4.843 20 0 JJADRN Cc1sc(NC(=O)CNC(=O)c2ccccc2OC(F)F)nc1-c1cccc(Cl)c1 ZINC001441749984 1066067833 /nfs/dbraw/zinc/06/78/33/1066067833.db2.gz YAYPBZYMYLTDEE-UHFFFAOYSA-N 0 0 451.882 4.742 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)nc3)c2)cc1 ZINC001441750145 1066067868 /nfs/dbraw/zinc/06/78/68/1066067868.db2.gz QGGFXDPRDDRUBZ-UHFFFAOYSA-N 0 0 457.983 4.808 20 0 JJADRN O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001441754548 1066068149 /nfs/dbraw/zinc/06/81/49/1066068149.db2.gz WYXZNPXIQDZTQU-UHFFFAOYSA-N 0 0 458.465 4.603 20 0 JJADRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC001441756021 1066068179 /nfs/dbraw/zinc/06/81/79/1066068179.db2.gz XNJZVBKVEBCCKD-UHFFFAOYSA-N 0 0 453.530 4.546 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)c1C(F)(F)F ZINC001441766560 1066068638 /nfs/dbraw/zinc/06/86/38/1066068638.db2.gz SEEHLIXDEIXUAG-UHFFFAOYSA-N 0 0 450.364 4.935 20 0 JJADRN C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001441769615 1066068693 /nfs/dbraw/zinc/06/86/93/1066068693.db2.gz ZQAQERJYNBVRNE-CYBMUJFWSA-N 0 0 450.438 4.851 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)C2)n1 ZINC001441773454 1066068887 /nfs/dbraw/zinc/06/88/87/1066068887.db2.gz NZQVTIBMLVXNDK-QGZVFWFLSA-N 0 0 456.974 4.519 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)s1 ZINC001441774989 1066068986 /nfs/dbraw/zinc/06/89/86/1066068986.db2.gz QFVXKXYAIQGOSO-VXGBXAGGSA-N 0 0 456.793 4.540 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1c(Cl)cccc1OC ZINC001545944474 1066069038 /nfs/dbraw/zinc/06/90/38/1066069038.db2.gz JJNNILMVGKUUCH-GASCZTMLSA-N 0 0 483.991 4.634 20 0 JJADRN Cc1n[nH]cc1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360911826 1066068931 /nfs/dbraw/zinc/06/89/31/1066068931.db2.gz YAWBFJYUFZABFC-QGZVFWFLSA-N 0 0 498.056 4.785 20 0 JJADRN Cc1nc(NC(=O)COc2ccc(C=O)cc2Br)sc1Cc1ccc(C)cc1 ZINC001441780412 1066069531 /nfs/dbraw/zinc/06/95/31/1066069531.db2.gz FGKBDRYKZSBYAZ-UHFFFAOYSA-N 0 0 459.365 4.943 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360912893 1066069456 /nfs/dbraw/zinc/06/94/56/1066069456.db2.gz GBKCHCSWGIREJM-MRXNPFEDSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360912992 1066069510 /nfs/dbraw/zinc/06/95/10/1066069510.db2.gz JAMVNSPEEWRZMH-GJZGRUSLSA-N 0 0 475.410 4.993 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360913121 1066069817 /nfs/dbraw/zinc/06/98/17/1066069817.db2.gz NFMILGCIDVIFFZ-LJQANCHMSA-N 0 0 450.631 4.911 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360912994 1066069881 /nfs/dbraw/zinc/06/98/81/1066069881.db2.gz JAMVNSPEEWRZMH-LSDHHAIUSA-N 0 0 475.410 4.993 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1nccs1 ZINC001360913112 1066069942 /nfs/dbraw/zinc/06/99/42/1066069942.db2.gz MYPZRUUXADCNID-UHFFFAOYSA-N 0 0 490.406 4.604 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001360913350 1066070335 /nfs/dbraw/zinc/07/03/35/1066070335.db2.gz VRILLDCXKSPYFV-OKILXGFUSA-N 0 0 461.383 4.603 20 0 JJADRN CCc1ccccc1CNC(=O)c1cc(I)cc(Br)c1C ZINC001360914537 1066070640 /nfs/dbraw/zinc/07/06/40/1066070640.db2.gz ZUFGGHHDDRXZFN-UHFFFAOYSA-N 0 0 458.137 4.855 20 0 JJADRN CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441809006 1066071063 /nfs/dbraw/zinc/07/10/63/1066071063.db2.gz IYKQQGBVIZEOIG-MOPGFXCFSA-N 0 0 458.400 4.599 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360915149 1066071037 /nfs/dbraw/zinc/07/10/37/1066071037.db2.gz YLICHMICPYNJED-UHFFFAOYSA-N 0 0 493.534 4.784 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001441808624 1066071075 /nfs/dbraw/zinc/07/10/75/1066071075.db2.gz ZQIMNJCFMDQGOZ-QFIPXVFZSA-N 0 0 451.567 4.826 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360916301 1066071746 /nfs/dbraw/zinc/07/17/46/1066071746.db2.gz ICKOPMYHOMNSTM-KRWDZBQOSA-N 0 0 464.570 4.875 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001360916182 1066071930 /nfs/dbraw/zinc/07/19/30/1066071930.db2.gz DLVZIVTWWZOTJI-RXVVDRJESA-N 0 0 485.677 4.887 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360916134 1066071942 /nfs/dbraw/zinc/07/19/42/1066071942.db2.gz CJLIDALOQQNLDY-FQEVSTJZSA-N 0 0 475.062 4.893 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001441812456 1066072196 /nfs/dbraw/zinc/07/21/96/1066072196.db2.gz ATERHBBGZNNSIM-AEFFLSMTSA-N 0 0 451.158 4.879 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC(C)C ZINC001360916323 1066072140 /nfs/dbraw/zinc/07/21/40/1066072140.db2.gz IQGZGEOCZYOZDU-UHFFFAOYSA-N 0 0 451.402 4.920 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC001441815026 1066072452 /nfs/dbraw/zinc/07/24/52/1066072452.db2.gz SFHQWGTUEDSFQW-GOSISDBHSA-N 0 0 454.577 4.675 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccc(Cl)cc1 ZINC001360917264 1066072708 /nfs/dbraw/zinc/07/27/08/1066072708.db2.gz MSFFLISUCRZGQW-MAUKXSAKSA-N 0 0 455.045 4.535 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001360917967 1066073106 /nfs/dbraw/zinc/07/31/06/1066073106.db2.gz FVFUSFUFJKUYFT-UXHICEINSA-N 0 0 488.629 4.800 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001441821316 1066073991 /nfs/dbraw/zinc/07/39/91/1066073991.db2.gz ZSRNXQUCYYGLJT-MRXNPFEDSA-N 0 0 454.983 4.966 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@H]1C ZINC001360918470 1066074157 /nfs/dbraw/zinc/07/41/57/1066074157.db2.gz SXMQLXDZIKMIQR-CYBMUJFWSA-N 0 0 452.447 4.590 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360918363 1066074243 /nfs/dbraw/zinc/07/42/43/1066074243.db2.gz QAGDOASUHYXJMP-BEFAXECRSA-N 0 0 484.519 4.937 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(-c3nccs3)c2)c(C)c1C ZINC001441824391 1066074270 /nfs/dbraw/zinc/07/42/70/1066074270.db2.gz ZNNJSYYCKUKGQN-UHFFFAOYSA-N 0 0 457.621 4.659 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)cc1Cl ZINC001441826888 1066074480 /nfs/dbraw/zinc/07/44/80/1066074480.db2.gz RYDLNFSWEWLNPX-GOSISDBHSA-N 0 0 451.995 4.890 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360918364 1066074381 /nfs/dbraw/zinc/07/43/81/1066074381.db2.gz QAGDOASUHYXJMP-DNVCBOLYSA-N 0 0 484.519 4.937 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360918619 1066074679 /nfs/dbraw/zinc/07/46/79/1066074679.db2.gz XNHHJHIBIDUPIV-GOSISDBHSA-N 0 0 485.629 4.652 20 0 JJADRN CC[C@@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)sc2C1 ZINC001441841713 1066074760 /nfs/dbraw/zinc/07/47/60/1066074760.db2.gz NAJLTAQTJUIOLQ-CQSZACIVSA-N 0 0 459.568 4.850 20 0 JJADRN CC[C@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)sc2C1 ZINC001441841704 1066074780 /nfs/dbraw/zinc/07/47/80/1066074780.db2.gz NAJLTAQTJUIOLQ-AWEZNQCLSA-N 0 0 459.568 4.850 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001441836816 1066074905 /nfs/dbraw/zinc/07/49/05/1066074905.db2.gz CSHNYUBKZPDSAC-UHFFFAOYSA-N 0 0 453.583 4.914 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc(CSC)cc1 ZINC001545944781 1066074915 /nfs/dbraw/zinc/07/49/15/1066074915.db2.gz UXRDKURNYXYUMD-CALCHBBNSA-N 0 0 479.641 4.835 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360919777 1066075044 /nfs/dbraw/zinc/07/50/44/1066075044.db2.gz AWMWNNXSEXTWNL-AWEZNQCLSA-N 0 0 476.444 4.719 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360919991 1066075441 /nfs/dbraw/zinc/07/54/41/1066075441.db2.gz JCYIPWHDMNVHFV-KDURUIRLSA-N 0 0 469.655 4.991 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC001441866166 1066075770 /nfs/dbraw/zinc/07/57/70/1066075770.db2.gz MVTBQJLFSPAXTG-QHCPKHFHSA-N 0 0 454.979 4.796 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360920021 1066075817 /nfs/dbraw/zinc/07/58/17/1066075817.db2.gz KINCRYKFUJJEKL-KRWDZBQOSA-N 0 0 451.518 4.500 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 ZINC001441873782 1066076124 /nfs/dbraw/zinc/07/61/24/1066076124.db2.gz XUHIHYHLOMNWAG-QMMLZNLJSA-N 0 0 454.567 4.612 20 0 JJADRN CN(CCCOc1cccc(Cl)c1)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC001441873461 1066076468 /nfs/dbraw/zinc/07/64/68/1066076468.db2.gz GLUUSRMARZUKMH-UHFFFAOYSA-N 0 0 451.379 4.594 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CO)CC1 ZINC001360920359 1066076480 /nfs/dbraw/zinc/07/64/80/1066076480.db2.gz UCQOQNBCKSITHK-UHFFFAOYSA-N 0 0 479.419 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1Cc1c(F)cccc1Cl ZINC001545944875 1066076827 /nfs/dbraw/zinc/07/68/27/1066076827.db2.gz YDYJTNPXGXZGNL-UHFFFAOYSA-N 0 0 473.984 4.778 20 0 JJADRN CC1CCC(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC001441883788 1066077198 /nfs/dbraw/zinc/07/71/98/1066077198.db2.gz MCPJCLDZIPELEE-UHFFFAOYSA-N 0 0 454.951 4.814 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)cc1C ZINC001441881411 1066077256 /nfs/dbraw/zinc/07/72/56/1066077256.db2.gz AOZSPOHKHQJCOF-UHFFFAOYSA-N 0 0 450.358 4.561 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)ccc1N1CCOCC1 ZINC001360921595 1066077507 /nfs/dbraw/zinc/07/75/07/1066077507.db2.gz GPHQQXKXKSNFRR-UHFFFAOYSA-N 0 0 450.501 4.958 20 0 JJADRN Cc1ncsc1CCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360921442 1066077542 /nfs/dbraw/zinc/07/75/42/1066077542.db2.gz JCYIJHOTXVNKBY-GOSISDBHSA-N 0 0 474.675 4.684 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)cc1OC ZINC001441885844 1066077600 /nfs/dbraw/zinc/07/76/00/1066077600.db2.gz DPQWRJXVPMTBEI-UHFFFAOYSA-N 0 0 450.626 4.626 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001441885352 1066077660 /nfs/dbraw/zinc/07/76/60/1066077660.db2.gz NHTPRXYHQLNHLX-HTAPYJJXSA-N 0 0 455.599 4.943 20 0 JJADRN COc1nsc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1Br ZINC001441886421 1066078243 /nfs/dbraw/zinc/07/82/43/1066078243.db2.gz RKUOGWKLZYFWOY-UHFFFAOYSA-N 0 0 452.374 4.571 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001441887076 1066078266 /nfs/dbraw/zinc/07/82/66/1066078266.db2.gz QZKVCZJNDZWYHT-XMMPIXPASA-N 0 0 452.551 4.590 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001360922795 1066078245 /nfs/dbraw/zinc/07/82/45/1066078245.db2.gz CMFKJGFHNPCYIN-OAQYLSRUSA-N 0 0 453.656 4.917 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001360923318 1066078662 /nfs/dbraw/zinc/07/86/62/1066078662.db2.gz PLRGITQWBRYBEY-AZUAARDMSA-N 0 0 489.686 4.826 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)NCC(=O)N(C)Cc3ccccc3)cc2s1 ZINC001441887974 1066078791 /nfs/dbraw/zinc/07/87/91/1066078791.db2.gz JQAZUAKGBFVFLG-UHFFFAOYSA-N 0 0 450.589 4.798 20 0 JJADRN O=C(Cc1ccc(Cl)cn1)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001441888117 1066078817 /nfs/dbraw/zinc/07/88/17/1066078817.db2.gz TVJRFUHNRXQGNZ-UHFFFAOYSA-N 0 0 454.310 4.510 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360923409 1066078997 /nfs/dbraw/zinc/07/89/97/1066078997.db2.gz RPPJCFOQGMYAAM-CTNGQTDRSA-N 0 0 473.687 4.509 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360923412 1066079091 /nfs/dbraw/zinc/07/90/91/1066079091.db2.gz RPPJCFOQGMYAAM-TZIWHRDSSA-N 0 0 473.687 4.509 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCOC2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001360923388 1066079141 /nfs/dbraw/zinc/07/91/41/1066079141.db2.gz QXSFJWCXSISCOU-LJQANCHMSA-N 0 0 458.603 4.829 20 0 JJADRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(I)cc2O)cc1 ZINC001441892943 1066079584 /nfs/dbraw/zinc/07/95/84/1066079584.db2.gz OTTBZLVPFOHQSS-CQSZACIVSA-N 0 0 453.320 4.535 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 ZINC001360923641 1066079642 /nfs/dbraw/zinc/07/96/42/1066079642.db2.gz YVTVPNSPVMDDLY-UHFFFAOYSA-N 0 0 492.665 4.585 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360924139 1066079805 /nfs/dbraw/zinc/07/98/05/1066079805.db2.gz JMVWFYXXVREQMJ-BEFAXECRSA-N 0 0 468.520 4.777 20 0 JJADRN CC[C@]1(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441896343 1066080094 /nfs/dbraw/zinc/08/00/94/1066080094.db2.gz VWNITIUQFXDQJD-BCHFMIIMSA-N 0 0 453.583 4.875 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001360924165 1066080251 /nfs/dbraw/zinc/08/02/51/1066080251.db2.gz KDHHRMVUXKHKOD-MRXNPFEDSA-N 0 0 454.550 4.747 20 0 JJADRN CN(CCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)C(=O)OC(C)(C)C ZINC001441894284 1066080243 /nfs/dbraw/zinc/08/02/43/1066080243.db2.gz SPGNVFXHPVMSNW-UHFFFAOYSA-N 0 0 451.995 4.940 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccncc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001360924175 1066080264 /nfs/dbraw/zinc/08/02/64/1066080264.db2.gz KJMCHSHMHRBWKP-UHFFFAOYSA-N 0 0 457.525 4.930 20 0 JJADRN Cc1ccsc1CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360924199 1066080287 /nfs/dbraw/zinc/08/02/87/1066080287.db2.gz KULOEPMKZGHPGS-LJQANCHMSA-N 0 0 493.599 4.585 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001441914302 1066080466 /nfs/dbraw/zinc/08/04/66/1066080466.db2.gz NTSYANUNDACKPS-FGCOXFRFSA-N 0 0 458.599 4.527 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1N1CCNC1=O ZINC001441909399 1066080641 /nfs/dbraw/zinc/08/06/41/1066080641.db2.gz BXGZTXHMUUZDDW-UHFFFAOYSA-N 0 0 451.910 4.710 20 0 JJADRN Cc1ccsc1CCn1c(Cc2cccnc2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001360924533 1066080643 /nfs/dbraw/zinc/08/06/43/1066080643.db2.gz RFFXKPPNFGPCLE-UHFFFAOYSA-N 0 0 453.656 4.908 20 0 JJADRN CC(C)CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1Cl ZINC001441917382 1066080842 /nfs/dbraw/zinc/08/08/42/1066080842.db2.gz QUUOUZYZBISXSO-SFHVURJKSA-N 0 0 454.011 4.994 20 0 JJADRN C[C@H](NC(=O)[C@H](C)n1ccc2ccccc2c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441929717 1066081316 /nfs/dbraw/zinc/08/13/16/1066081316.db2.gz NCBZAVOWQILMBI-ROUUACIJSA-N 0 0 457.505 4.831 20 0 JJADRN Cc1cc(F)cc2c(O)c(C(=O)N(C)Cc3cc(C)c(OCC(F)(F)F)c(C)c3)cnc12 ZINC001441929182 1066081396 /nfs/dbraw/zinc/08/13/96/1066081396.db2.gz LOZMOIJBSWYMDP-UHFFFAOYSA-N 0 0 450.432 4.806 20 0 JJADRN O=C(c1ccc(Cl)cc1Sc1ccc(Cl)cc1)N1CCC(N2CCNC2=O)CC1 ZINC001441921775 1066081491 /nfs/dbraw/zinc/08/14/91/1066081491.db2.gz SHWJRKCSVDGBFJ-UHFFFAOYSA-N 0 0 450.391 4.774 20 0 JJADRN Cc1cc(SCC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(C)cc1Br ZINC001441929118 1066081504 /nfs/dbraw/zinc/08/15/04/1066081504.db2.gz LICYTJSAUSMOFE-UHFFFAOYSA-N 0 0 457.434 4.627 20 0 JJADRN C[C@@H](NC(=O)Cc1nc(C(F)(F)F)cs1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441936248 1066081698 /nfs/dbraw/zinc/08/16/98/1066081698.db2.gz ZCTFFSMFQKEHSN-GFCCVEGCSA-N 0 0 451.445 4.973 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSCC1 ZINC001360925785 1066081776 /nfs/dbraw/zinc/08/17/76/1066081776.db2.gz BFUUPHUFVDKFPM-UHFFFAOYSA-N 0 0 470.451 4.725 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 ZINC001360925764 1066081906 /nfs/dbraw/zinc/08/19/06/1066081906.db2.gz AXTPZCHRGXKTJM-MJGOQNOKSA-N 0 0 474.675 4.984 20 0 JJADRN Cc1ccsc1CCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001360925735 1066081950 /nfs/dbraw/zinc/08/19/50/1066081950.db2.gz AEZSJBQSUTZJDQ-UHFFFAOYSA-N 0 0 483.657 4.860 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)cc1 ZINC001441950751 1066082084 /nfs/dbraw/zinc/08/20/84/1066082084.db2.gz MOERNYZJGGLIFJ-QFIPXVFZSA-N 0 0 456.861 4.550 20 0 JJADRN Cc1ccsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360926449 1066083085 /nfs/dbraw/zinc/08/30/85/1066083085.db2.gz PIZCIMFHBNJCFY-UHFFFAOYSA-N 0 0 488.057 4.605 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360926547 1066083121 /nfs/dbraw/zinc/08/31/21/1066083121.db2.gz SQDDSDVCXZQXBF-BSWQBHCVSA-N 0 0 475.703 4.846 20 0 JJADRN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001441967705 1066083541 /nfs/dbraw/zinc/08/35/41/1066083541.db2.gz GMSJPHHRNVTEEP-UHFFFAOYSA-N 0 0 453.402 4.649 20 0 JJADRN CCOC(=O)c1cccc(N(CC)C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)c1 ZINC001441972444 1066083637 /nfs/dbraw/zinc/08/36/37/1066083637.db2.gz WBZKXHOMQCDMFK-UHFFFAOYSA-N 0 0 456.539 4.667 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001441979367 1066083856 /nfs/dbraw/zinc/08/38/56/1066083856.db2.gz HXJCHPXSIMIHTK-SFTDATJTSA-N 0 0 458.578 4.690 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1c(F)ccc(Br)c1F ZINC001441980084 1066084070 /nfs/dbraw/zinc/08/40/70/1066084070.db2.gz JSDWKDADWLRHRC-UHFFFAOYSA-N 0 0 452.274 4.961 20 0 JJADRN Cc1occc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCSC1 ZINC001360927108 1066083997 /nfs/dbraw/zinc/08/39/97/1066083997.db2.gz NBBUNJGHXKUAFW-GOSISDBHSA-N 0 0 474.030 4.543 20 0 JJADRN CCOC(=O)c1cc(NC(=O)/C=C\c2cc(Br)c(O)c(OC)c2)ccc1Cl ZINC001441985595 1066084303 /nfs/dbraw/zinc/08/43/03/1066084303.db2.gz JHCJKIZQAVJRJB-DAXSKMNVSA-N 0 0 454.704 4.645 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360928686 1066084289 /nfs/dbraw/zinc/08/42/89/1066084289.db2.gz MLGIOVROXPMLJF-HJOGWXRNSA-N 0 0 452.595 4.920 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)c1ccsc1 ZINC001360929348 1066084921 /nfs/dbraw/zinc/08/49/21/1066084921.db2.gz CJJXLNDFNCTKOZ-OAQYLSRUSA-N 0 0 490.427 4.553 20 0 JJADRN O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)cc(Br)c1 ZINC001442006624 1066085196 /nfs/dbraw/zinc/08/51/96/1066085196.db2.gz CPWKHZATIDBHHQ-UHFFFAOYSA-N 0 0 459.207 4.906 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCSC2(C)C)cnn1C ZINC001360929535 1066085239 /nfs/dbraw/zinc/08/52/39/1066085239.db2.gz IMDNFPREXKKUMB-GOSISDBHSA-N 0 0 489.487 4.918 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC001442013641 1066085436 /nfs/dbraw/zinc/08/54/36/1066085436.db2.gz UZVNCPXKNNGIAC-BETUJISGSA-N 0 0 458.443 4.898 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)c1 ZINC001442007989 1066085498 /nfs/dbraw/zinc/08/54/98/1066085498.db2.gz HCSJLGVKNISMFR-STQMWFEESA-N 0 0 453.408 4.726 20 0 JJADRN CC(C)c1ccc(SCC(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC001442021815 1066086086 /nfs/dbraw/zinc/08/60/86/1066086086.db2.gz FUVLPRLILQKEQG-LJQANCHMSA-N 0 0 450.608 4.858 20 0 JJADRN COc1ccccc1NC(=O)Nc1cc(NC(=O)c2c(Cl)n[nH]c2C2CC2)ccc1OC ZINC001442027761 1066086418 /nfs/dbraw/zinc/08/64/18/1066086418.db2.gz ILLJZQZJTRZFHH-UHFFFAOYSA-N 0 0 455.902 4.854 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)[C@H](C)c1sc(CC)nc1C ZINC001360930441 1066087081 /nfs/dbraw/zinc/08/70/81/1066087081.db2.gz FMBFAHLFPBWEQY-HZPDHXFCSA-N 0 0 454.683 4.898 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1nccs1 ZINC001360930470 1066087479 /nfs/dbraw/zinc/08/74/79/1066087479.db2.gz UWBJJRCLMSKJDT-ZDUSSCGKSA-N 0 0 475.416 4.844 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)cnn1C ZINC001360930819 1066087496 /nfs/dbraw/zinc/08/74/96/1066087496.db2.gz OGSRUBOFKNEREW-IBGZPJMESA-N 0 0 477.588 4.608 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br ZINC001360930927 1066087722 /nfs/dbraw/zinc/08/77/22/1066087722.db2.gz PQYLLBSYXWTRDU-LBPRGKRZSA-N 0 0 490.349 4.946 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC001360930980 1066087847 /nfs/dbraw/zinc/08/78/47/1066087847.db2.gz KWLDSMKUCKYWFU-AWEZNQCLSA-N 0 0 458.049 4.531 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001442045972 1066087679 /nfs/dbraw/zinc/08/76/79/1066087679.db2.gz IPKDEYHUWRNHJM-JCURWCKSSA-N 0 0 453.302 4.613 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc2sccc2nc1Cl ZINC001442045757 1066087789 /nfs/dbraw/zinc/08/77/89/1066087789.db2.gz INZGYAWNERRSJH-GFCCVEGCSA-N 0 0 450.789 4.969 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442049767 1066087904 /nfs/dbraw/zinc/08/79/04/1066087904.db2.gz MXIFHZSCDOEIGQ-LDJQZATESA-N 0 0 451.405 4.534 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001360931539 1066088672 /nfs/dbraw/zinc/08/86/72/1066088672.db2.gz RJNZCRJBFYRKLL-NJNPRVFISA-N 0 0 453.421 4.998 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC2(c3cccc(Br)c3)CCC2)c1 ZINC001442062395 1066088639 /nfs/dbraw/zinc/08/86/39/1066088639.db2.gz LJXVAABAXCBSFU-OAQYLSRUSA-N 0 0 455.396 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC001442063330 1066088727 /nfs/dbraw/zinc/08/87/27/1066088727.db2.gz PGFIZTSJQNEAEB-GOSISDBHSA-N 0 0 451.405 4.777 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCC3(c4ccc(Br)cc4)CCC3)c2N1 ZINC001442069134 1066089899 /nfs/dbraw/zinc/08/98/99/1066089899.db2.gz FZABAMMZGXSECJ-MLGOLLRUSA-N 0 0 471.321 4.805 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc4ccccc4o3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cnn1C ZINC001360932715 1066090129 /nfs/dbraw/zinc/09/01/29/1066090129.db2.gz QRUBTGPOJWBFLC-QGZVFWFLSA-N 0 0 493.612 4.530 20 0 JJADRN O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1Cl ZINC001442077759 1066090229 /nfs/dbraw/zinc/09/02/29/1066090229.db2.gz PQPWEJPGYKSBBV-FQEVSTJZSA-N 0 0 453.970 4.784 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC(C)(C)C ZINC001360932871 1066090562 /nfs/dbraw/zinc/09/05/62/1066090562.db2.gz SQXSFVPHYDKTSY-HNNXBMFYSA-N 0 0 486.711 4.838 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1(C)C ZINC001360932910 1066090632 /nfs/dbraw/zinc/09/06/32/1066090632.db2.gz UMUOLQOTSDQMEA-ZDUSSCGKSA-N 0 0 481.489 4.969 20 0 JJADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442077976 1066090847 /nfs/dbraw/zinc/09/08/47/1066090847.db2.gz QTPLTLWEGLWRMM-XMSQKQJNSA-N 0 0 453.583 4.974 20 0 JJADRN Cc1c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cnn1C1CCOCC1 ZINC001442080800 1066091134 /nfs/dbraw/zinc/09/11/34/1066091134.db2.gz PTPFOQDPSDUIBH-UHFFFAOYSA-N 0 0 450.486 4.861 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)CCCOc3ccc(S(C)(=O)=O)cc3)ccc2C)c1 ZINC001360934219 1066092120 /nfs/dbraw/zinc/09/21/20/1066092120.db2.gz YRFDPMXPHDROSI-UHFFFAOYSA-N 0 0 454.548 4.692 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1C ZINC001442087367 1066092320 /nfs/dbraw/zinc/09/23/20/1066092320.db2.gz ZUXGYWWRJWJALJ-CQSZACIVSA-N 0 0 458.946 4.810 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cnn1C ZINC001360934556 1066092589 /nfs/dbraw/zinc/09/25/89/1066092589.db2.gz DHROKTCJEOAJTO-IRXDYDNUSA-N 0 0 467.927 4.965 20 0 JJADRN CO[C@H](CNC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccccc1 ZINC001442092067 1066092657 /nfs/dbraw/zinc/09/26/57/1066092657.db2.gz JNBQJENBQFNBSE-OXQOHEQNSA-N 0 0 451.348 4.754 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(C)c1C ZINC001360934667 1066092726 /nfs/dbraw/zinc/09/27/26/1066092726.db2.gz HLPIRDAKMWLUSS-UHFFFAOYSA-N 0 0 462.410 4.743 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@H](C)C2)cnn1C ZINC001360934687 1066092740 /nfs/dbraw/zinc/09/27/40/1066092740.db2.gz IAKPJIQHSKMOKL-UYAOXDASSA-N 0 0 450.631 4.736 20 0 JJADRN CCN(CC)C(=O)C1(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCCCC1 ZINC001442100112 1066092967 /nfs/dbraw/zinc/09/29/67/1066092967.db2.gz YIRZNTOCOLDJCQ-OAQYLSRUSA-N 0 0 459.631 4.720 20 0 JJADRN CC(C)c1nc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)n[nH]1 ZINC001442098649 1066093043 /nfs/dbraw/zinc/09/30/43/1066093043.db2.gz ZKYNHAQZTBOKSP-UHFFFAOYSA-N 0 0 456.543 4.703 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3ccccc3Oc3cccc(F)c3)cc12 ZINC001442097369 1066093070 /nfs/dbraw/zinc/09/30/70/1066093070.db2.gz UIHTYBQQQLJZGV-CQSZACIVSA-N 0 0 452.511 4.632 20 0 JJADRN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442102062 1066093352 /nfs/dbraw/zinc/09/33/52/1066093352.db2.gz BKDJTJREDVMSCZ-CQSZACIVSA-N 0 0 452.761 4.768 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@@H](C)C2)cnn1C ZINC001360934700 1066093351 /nfs/dbraw/zinc/09/33/51/1066093351.db2.gz INGNKBZSPMDOAK-HOCLYGCPSA-N 0 0 493.475 4.653 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442102020 1066093457 /nfs/dbraw/zinc/09/34/57/1066093457.db2.gz BCXOWZCYQNIMAD-XUVXKRRUSA-N 0 0 481.431 4.823 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001442104546 1066093658 /nfs/dbraw/zinc/09/36/58/1066093658.db2.gz MMMLBFSHMBKGEY-CDMWWTFKSA-N 0 0 458.961 4.766 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2s1 ZINC001442107333 1066094125 /nfs/dbraw/zinc/09/41/25/1066094125.db2.gz WPKXMWYIHNUNNO-UHFFFAOYSA-N 0 0 452.565 4.698 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)sc21 ZINC001442109647 1066094609 /nfs/dbraw/zinc/09/46/09/1066094609.db2.gz UEXWFHIQZJHINQ-CYBMUJFWSA-N 0 0 456.312 4.549 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3F)n2CCc2ccc(Br)s2)cnn1C ZINC001360935509 1066095044 /nfs/dbraw/zinc/09/50/44/1066095044.db2.gz MUTDRSWWQQWMCG-UHFFFAOYSA-N 0 0 489.418 4.829 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCSC1 ZINC001360935350 1066095139 /nfs/dbraw/zinc/09/51/39/1066095139.db2.gz HGKIZTBBSYSVSS-XMMPIXPASA-N 0 0 487.695 4.639 20 0 JJADRN C[C@@H](C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111739 1066095260 /nfs/dbraw/zinc/09/52/60/1066095260.db2.gz KWIJIHJQHAQTPA-FGZHOGPDSA-N 0 0 456.586 4.558 20 0 JJADRN CCC[C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)sc2C1 ZINC001360936136 1066095868 /nfs/dbraw/zinc/09/58/68/1066095868.db2.gz LETHZXSTUXWOHJ-SUMWQHHRSA-N 0 0 450.029 4.855 20 0 JJADRN C[C@]1(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)CCc2ccccc21 ZINC001360936002 1066096065 /nfs/dbraw/zinc/09/60/65/1066096065.db2.gz FLALSNHREYKCJV-QHCPKHFHSA-N 0 0 450.336 4.939 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(OCC(C)C)c3)c2)cc1 ZINC001442115583 1066096018 /nfs/dbraw/zinc/09/60/18/1066096018.db2.gz BIPVRJCPADFETM-UHFFFAOYSA-N 0 0 452.576 4.761 20 0 JJADRN COc1cc2ncc(C(=O)N[C@H](c3ccsc3)c3ccc(Cl)cc3)c(O)c2c(OC)c1 ZINC001442119216 1066096434 /nfs/dbraw/zinc/09/64/34/1066096434.db2.gz ICFSHPXACVCCTL-NRFANRHFSA-N 0 0 454.935 4.780 20 0 JJADRN CCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC001442119118 1066096457 /nfs/dbraw/zinc/09/64/57/1066096457.db2.gz GIHPNWNRMZGBLL-UHFFFAOYSA-N 0 0 456.877 4.943 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccn2C)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001360937766 1066096844 /nfs/dbraw/zinc/09/68/44/1066096844.db2.gz ZGUVNZPIWQDSRJ-UHFFFAOYSA-N 0 0 462.501 4.632 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2O)C1)C(=O)OC(C)(C)C ZINC001442120541 1066096876 /nfs/dbraw/zinc/09/68/76/1066096876.db2.gz RKORPGZNJXMGDV-HXUWFJFHSA-N 0 0 454.567 4.690 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001442122802 1066096958 /nfs/dbraw/zinc/09/69/58/1066096958.db2.gz SZDWMHCSGPRRKQ-INIZCTEOSA-N 0 0 450.649 4.524 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC(F)(F)F ZINC001360940232 1066097509 /nfs/dbraw/zinc/09/75/09/1066097509.db2.gz DOMURWBOQBHQPI-GOSISDBHSA-N 0 0 450.461 4.657 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](F)c2ccc(Br)cc2)cnn1C ZINC001360940153 1066097525 /nfs/dbraw/zinc/09/75/25/1066097525.db2.gz JJHORHDBBWIJQS-VQTJNVASSA-N 0 0 491.409 4.671 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)C1 ZINC001360939348 1066097555 /nfs/dbraw/zinc/09/75/55/1066097555.db2.gz MUPCVHHZOWISOQ-VQIMIIECSA-N 0 0 450.558 4.911 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC001360939631 1066097597 /nfs/dbraw/zinc/09/75/97/1066097597.db2.gz XAHLJGHILOFTHW-UHFFFAOYSA-N 0 0 457.393 4.879 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCOC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360940803 1066097771 /nfs/dbraw/zinc/09/77/71/1066097771.db2.gz JUAWQDMFXCQLHV-LJQANCHMSA-N 0 0 498.653 4.773 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCOC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360940802 1066097807 /nfs/dbraw/zinc/09/78/07/1066097807.db2.gz JUAWQDMFXCQLHV-IBGZPJMESA-N 0 0 498.653 4.773 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001442153360 1066098063 /nfs/dbraw/zinc/09/80/63/1066098063.db2.gz OZGOMPCGOTWGTC-SFHVURJKSA-N 0 0 457.412 4.740 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c(Br)s1 ZINC001442158396 1066098440 /nfs/dbraw/zinc/09/84/40/1066098440.db2.gz WWFVGQPCGMPYPA-LBPRGKRZSA-N 0 0 458.219 4.838 20 0 JJADRN COc1ccc2[nH]cc(C3CCN(C(=O)C4(F)CCN(C(=O)OC(C)(C)C)CC4)CC3)c2c1 ZINC001442161160 1066098470 /nfs/dbraw/zinc/09/84/70/1066098470.db2.gz SNFMMASETNOIHR-UHFFFAOYSA-N 0 0 459.562 4.622 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)o1 ZINC001360942537 1066098637 /nfs/dbraw/zinc/09/86/37/1066098637.db2.gz SIOSPFVWIGPMMF-QINHECLXSA-N 0 0 459.384 4.957 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(F)(F)C1 ZINC001360943608 1066098892 /nfs/dbraw/zinc/09/88/92/1066098892.db2.gz ARBWTWRSRKHHNH-HKUYNNGSSA-N 0 0 495.571 4.560 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001360943839 1066099025 /nfs/dbraw/zinc/09/90/25/1066099025.db2.gz FCUVOTJKAJLWSP-KRWDZBQOSA-N 0 0 464.680 4.817 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442175009 1066099064 /nfs/dbraw/zinc/09/90/64/1066099064.db2.gz RKPPGRQHHVZKEL-HZPDHXFCSA-N 0 0 451.995 4.654 20 0 JJADRN O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(Br)c2ccccc2c1 ZINC001442177745 1066099213 /nfs/dbraw/zinc/09/92/13/1066099213.db2.gz CKLONAWZMKPKMZ-NRFANRHFSA-N 0 0 453.336 4.650 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC=C(C(C)(C)C)CC1)Oc1ccccc1F ZINC001545946666 1066099266 /nfs/dbraw/zinc/09/92/66/1066099266.db2.gz UHDBWIDOMKTXPT-IBGZPJMESA-N 0 0 457.594 4.596 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442175012 1066099302 /nfs/dbraw/zinc/09/93/02/1066099302.db2.gz RKPPGRQHHVZKEL-JKSUJKDBSA-N 0 0 451.995 4.654 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360945039 1066100130 /nfs/dbraw/zinc/10/01/30/1066100130.db2.gz RXQVSPQOALSNSG-WIYYLYMNSA-N 0 0 468.671 4.895 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccncc2)n1Cc1c(F)cccc1OC(F)F ZINC001360946223 1066100610 /nfs/dbraw/zinc/10/06/10/1066100610.db2.gz FEUMIZYLZCIOQA-UHFFFAOYSA-N 0 0 457.456 4.591 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccncc2)n1Cc1sccc1Br ZINC001360946694 1066101248 /nfs/dbraw/zinc/10/12/48/1066101248.db2.gz OVKBTWMJZKUYTP-UHFFFAOYSA-N 0 0 458.385 4.674 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3CCCN(C)c4ccccc43)cc2Br)no1 ZINC001360946782 1066101391 /nfs/dbraw/zinc/10/13/91/1066101391.db2.gz XRSNZNPXIKAWTF-UHFFFAOYSA-N 0 0 456.340 4.811 20 0 JJADRN CC[C@@]1(c2ccc(NC(=O)CSCc3ccc(C(C)(C)C)cc3)cc2)CCC(=O)NC1=O ZINC001442206453 1066102005 /nfs/dbraw/zinc/10/20/05/1066102005.db2.gz BYWKYEUOSHPGKK-SANMLTNESA-N 0 0 452.620 4.940 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442207840 1066102009 /nfs/dbraw/zinc/10/20/09/1066102009.db2.gz NQRYCKLFAZZYNI-MRXNPFEDSA-N 0 0 452.904 4.912 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)s1 ZINC001442213670 1066103201 /nfs/dbraw/zinc/10/32/01/1066103201.db2.gz XPAAOAONKYDIKE-UHFFFAOYSA-N 0 0 458.584 4.546 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@H]2C(C)C)cnn1C ZINC001360949311 1066104347 /nfs/dbraw/zinc/10/43/47/1066104347.db2.gz BUOVRNQSEWFCFL-RLWLMLJZSA-N 0 0 494.684 4.894 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCSC1 ZINC001360949453 1066104849 /nfs/dbraw/zinc/10/48/49/1066104849.db2.gz HKRGRJVTGVOTSW-HNNXBMFYSA-N 0 0 494.484 4.774 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360949603 1066105515 /nfs/dbraw/zinc/10/55/15/1066105515.db2.gz MFGYIURKKSAWGS-NSISKUIASA-N 0 0 475.634 4.648 20 0 JJADRN CC[C@@]1(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001442232792 1066105720 /nfs/dbraw/zinc/10/57/20/1066105720.db2.gz BGEMGDYTHGUJLR-SANMLTNESA-N 0 0 458.599 4.913 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)s1 ZINC001442236138 1066105822 /nfs/dbraw/zinc/10/58/22/1066105822.db2.gz JJMVIPSGGUCJOE-UHFFFAOYSA-N 0 0 459.568 4.851 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001442233927 1066105852 /nfs/dbraw/zinc/10/58/52/1066105852.db2.gz NSAFBMRFPXTKIX-WOJBJXKFSA-N 0 0 457.659 4.962 20 0 JJADRN O=C(Cc1cccnc1Cl)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001442236411 1066106476 /nfs/dbraw/zinc/10/64/76/1066106476.db2.gz SHIQFUNMPOGROV-UHFFFAOYSA-N 0 0 455.389 4.892 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)Br ZINC001360949758 1066106759 /nfs/dbraw/zinc/10/67/59/1066106759.db2.gz RVXYIQJJUCHINK-UHFFFAOYSA-N 0 0 492.777 4.900 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 ZINC001360949755 1066106771 /nfs/dbraw/zinc/10/67/71/1066106771.db2.gz RVBNPUAIUZICLE-JOCHJYFZSA-N 0 0 490.054 4.881 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001360950007 1066107543 /nfs/dbraw/zinc/10/75/43/1066107543.db2.gz CACYLJVIASKXAN-CZYKHXBRSA-N 0 0 487.645 4.648 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1CCCCO1 ZINC001360950465 1066108012 /nfs/dbraw/zinc/10/80/12/1066108012.db2.gz MYTQJRWSTLMLPI-HBMCJLEFSA-N 0 0 473.618 4.546 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(Br)cc1 ZINC001360950490 1066108127 /nfs/dbraw/zinc/10/81/27/1066108127.db2.gz NEBAWCUOUKRSGV-QGZVFWFLSA-N 0 0 462.417 4.536 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC001442250246 1066108331 /nfs/dbraw/zinc/10/83/31/1066108331.db2.gz LESWLKYGPZFERD-NZQKXSOJSA-N 0 0 465.594 4.681 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cc(-c3ccncc3)nn2C)cc1 ZINC001360951484 1066108534 /nfs/dbraw/zinc/10/85/34/1066108534.db2.gz ZSLOGTDDERNMQD-UHFFFAOYSA-N 0 0 457.559 4.774 20 0 JJADRN Cc1cc(SCC(=O)N2CCN(CCc3cccs3)CC2)c(C)cc1Br ZINC001442255674 1066109054 /nfs/dbraw/zinc/10/90/54/1066109054.db2.gz BBMBOCJGPKAVDY-UHFFFAOYSA-N 0 0 453.471 4.606 20 0 JJADRN CCCNC(=O)c1ccc(NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1Cl ZINC001442257874 1066109487 /nfs/dbraw/zinc/10/94/87/1066109487.db2.gz PKVFJZVHHMVXHR-UHFFFAOYSA-N 0 0 459.974 4.799 20 0 JJADRN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001360953206 1066109599 /nfs/dbraw/zinc/10/95/99/1066109599.db2.gz BNILTCFTDDJSJD-ONOODXEBSA-N 0 0 451.972 4.593 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)c3ccsc3)CC2)cnn1CC(C)C ZINC001360953099 1066109719 /nfs/dbraw/zinc/10/97/19/1066109719.db2.gz PVPCHQXUZIHUEK-IBGZPJMESA-N 0 0 455.676 4.555 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC001442265547 1066110084 /nfs/dbraw/zinc/11/00/84/1066110084.db2.gz KQDYSMPHEFLDGG-ZDUSSCGKSA-N 0 0 457.379 4.620 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001442265073 1066110239 /nfs/dbraw/zinc/11/02/39/1066110239.db2.gz RCGXSQHIEXLBIY-UHFFFAOYSA-N 0 0 458.562 4.657 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442283099 1066111260 /nfs/dbraw/zinc/11/12/60/1066111260.db2.gz IHQAFECGPKWRHS-UHFFFAOYSA-N 0 0 454.448 4.885 20 0 JJADRN Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc4c(cc3O)CCCC4)cc2)c1 ZINC001442284154 1066111323 /nfs/dbraw/zinc/11/13/23/1066111323.db2.gz APLUEGUDNRPFGH-UHFFFAOYSA-N 0 0 458.558 4.569 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001360955582 1066111915 /nfs/dbraw/zinc/11/19/15/1066111915.db2.gz FXPLKJVKLMASRY-JOCHJYFZSA-N 0 0 481.641 4.532 20 0 JJADRN O=C(/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442284591 1066111934 /nfs/dbraw/zinc/11/19/34/1066111934.db2.gz NMTRSAJVDFTJRR-UYRXBGFRSA-N 0 0 456.386 4.669 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1cccc(COCCc2ccccc2)c1 ZINC001442292822 1066112548 /nfs/dbraw/zinc/11/25/48/1066112548.db2.gz OLGYOBGCPCEFOU-UHFFFAOYSA-N 0 0 456.542 4.932 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC001360956230 1066112598 /nfs/dbraw/zinc/11/25/98/1066112598.db2.gz IILWYFLBOQCFAN-UHFFFAOYSA-N 0 0 456.498 4.919 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)cnn1CC(C)C ZINC001360956717 1066112774 /nfs/dbraw/zinc/11/27/74/1066112774.db2.gz PBOLNWGGPKSAMG-NQIIRXRSSA-N 0 0 472.634 4.708 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC001442299131 1066112800 /nfs/dbraw/zinc/11/28/00/1066112800.db2.gz XGHGHNFRRLPHCT-FYYLOGMGSA-N 0 0 452.551 4.717 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)n1 ZINC001360956451 1066112852 /nfs/dbraw/zinc/11/28/52/1066112852.db2.gz MAVUKSGOHFVMRY-UHFFFAOYSA-N 0 0 450.470 4.799 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001442297897 1066112978 /nfs/dbraw/zinc/11/29/78/1066112978.db2.gz SDEQTKOLJGGQEP-KRWDZBQOSA-N 0 0 452.451 4.803 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001442300679 1066113544 /nfs/dbraw/zinc/11/35/44/1066113544.db2.gz UXOJXWWCMPVNGV-FTJBHMTQSA-N 0 0 459.565 4.824 20 0 JJADRN CC(C)(C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1F ZINC001442300318 1066113559 /nfs/dbraw/zinc/11/35/59/1066113559.db2.gz TWCCKENFQWPOBP-UHFFFAOYSA-N 0 0 452.401 4.739 20 0 JJADRN Cc1ccsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001360956811 1066113604 /nfs/dbraw/zinc/11/36/04/1066113604.db2.gz QWGSKRIKFCFSDF-HXUWFJFHSA-N 0 0 487.645 4.522 20 0 JJADRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c1 ZINC001442300774 1066113630 /nfs/dbraw/zinc/11/36/30/1066113630.db2.gz MAQCQGAGLZCJTP-QFIPXVFZSA-N 0 0 453.583 4.745 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCS[C@@H](C)C2)cnn1CC(C)C ZINC001360957218 1066113952 /nfs/dbraw/zinc/11/39/52/1066113952.db2.gz WUVLMMSLHYKFOD-HKUYNNGSSA-N 0 0 472.634 4.708 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1cc(Br)ccc1C ZINC001360957374 1066113982 /nfs/dbraw/zinc/11/39/82/1066113982.db2.gz ASQKCGBDXDJHED-UHFFFAOYSA-N 0 0 455.190 4.990 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(C)cc1Br ZINC001360957944 1066114456 /nfs/dbraw/zinc/11/44/56/1066114456.db2.gz UZWIYTKRNCSCPG-UHFFFAOYSA-N 0 0 455.190 4.990 20 0 JJADRN Cc1c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC(C)C)C2CCCC2)cnn1C ZINC001360957801 1066114480 /nfs/dbraw/zinc/11/44/80/1066114480.db2.gz BJSGUDICTKMSBT-UHFFFAOYSA-N 0 0 460.424 4.531 20 0 JJADRN Cc1c(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)cnn1CC(C)C ZINC001360958117 1066114497 /nfs/dbraw/zinc/11/44/97/1066114497.db2.gz GMYIEOFPVZZJLR-UHFFFAOYSA-N 0 0 498.075 4.502 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC001442304932 1066114712 /nfs/dbraw/zinc/11/47/12/1066114712.db2.gz WCBDXWJZJQDSLX-IERDGZPVSA-N 0 0 453.995 4.849 20 0 JJADRN Cc1sc(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)nc1-c1ccc2c(c1)CCC2 ZINC001360958198 1066115164 /nfs/dbraw/zinc/11/51/64/1066115164.db2.gz ZGYMZTXLAFVOPG-IBGZPJMESA-N 0 0 457.596 4.572 20 0 JJADRN Cc1sc(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)nc1-c1ccc2c(c1)CCC2 ZINC001360958199 1066115169 /nfs/dbraw/zinc/11/51/69/1066115169.db2.gz ZGYMZTXLAFVOPG-LJQANCHMSA-N 0 0 457.596 4.572 20 0 JJADRN CC[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1nc(-c2ccccc2)c[nH]1 ZINC001442306111 1066115350 /nfs/dbraw/zinc/11/53/50/1066115350.db2.gz INVHZQNDTLEMEC-MRXNPFEDSA-N 0 0 451.324 4.974 20 0 JJADRN NC(=O)C1CCN(c2ccccc2NC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC001360958966 1066115599 /nfs/dbraw/zinc/11/55/99/1066115599.db2.gz NGTUTAUHMPWLMU-UHFFFAOYSA-N 0 0 458.381 4.618 20 0 JJADRN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCCN(CC(F)(F)F)CC1 ZINC001442328683 1066116547 /nfs/dbraw/zinc/11/65/47/1066116547.db2.gz RKOCFMXDHXUACM-HKWRFOASSA-N 0 0 454.439 4.925 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H]1CCSC1 ZINC001360959422 1066116852 /nfs/dbraw/zinc/11/68/52/1066116852.db2.gz BMZFLVCLXIFFEL-LBPRGKRZSA-N 0 0 485.864 4.511 20 0 JJADRN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336346 1066117543 /nfs/dbraw/zinc/11/75/43/1066117543.db2.gz JSSOBPAPCPJLOY-HXUWFJFHSA-N 0 0 456.999 4.926 20 0 JJADRN Cc1c(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)cnn1C ZINC001360960424 1066119059 /nfs/dbraw/zinc/11/90/59/1066119059.db2.gz MAQZJUHNACOWAK-PMACEKPBSA-N 0 0 450.631 4.943 20 0 JJADRN C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CC1 ZINC001442353366 1066119175 /nfs/dbraw/zinc/11/91/75/1066119175.db2.gz ONXYXUBUPQPXSG-INIZCTEOSA-N 0 0 458.530 4.539 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CC(C)C)C1 ZINC001360960569 1066119679 /nfs/dbraw/zinc/11/96/79/1066119679.db2.gz RATHZIAWCPYCTC-CQSZACIVSA-N 0 0 479.423 4.927 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCc1nccs1 ZINC001360960577 1066119744 /nfs/dbraw/zinc/11/97/44/1066119744.db2.gz RJIABMANERHGHG-UHFFFAOYSA-N 0 0 476.375 4.932 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)cnn1C ZINC001360960495 1066119759 /nfs/dbraw/zinc/11/97/59/1066119759.db2.gz NUXSDFKUBQBLDJ-UHFFFAOYSA-N 0 0 475.906 4.739 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001360960584 1066120090 /nfs/dbraw/zinc/12/00/90/1066120090.db2.gz RLRYZXAHSCPKKN-SFHVURJKSA-N 0 0 455.990 4.537 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360960678 1066120163 /nfs/dbraw/zinc/12/01/63/1066120163.db2.gz VSBIRVVKWGRNLV-CYBMUJFWSA-N 0 0 465.396 4.537 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 ZINC001360960788 1066120168 /nfs/dbraw/zinc/12/01/68/1066120168.db2.gz ZUYHXPZVERPRIB-UHFFFAOYSA-N 0 0 473.568 4.707 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)C[C@H](C)c1ccc(F)c(Br)c1)Cc1ccccc1 ZINC001442368942 1066120914 /nfs/dbraw/zinc/12/09/14/1066120914.db2.gz ULWQPNJCNXHEBE-YJBOKZPZSA-N 0 0 450.348 4.620 20 0 JJADRN Cc1cccc(CN(CC(C)C)C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)c1 ZINC001442377086 1066121420 /nfs/dbraw/zinc/12/14/20/1066121420.db2.gz QBBBTAFCPHGMOS-UHFFFAOYSA-N 0 0 456.633 4.833 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001442379505 1066121441 /nfs/dbraw/zinc/12/14/41/1066121441.db2.gz XOISYDMVIAELOW-LJKQEARRSA-N 0 0 453.583 4.679 20 0 JJADRN CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545948830 1066121963 /nfs/dbraw/zinc/12/19/63/1066121963.db2.gz XYALSWHKDQIZCQ-VXSCBNMQSA-N 0 0 496.656 4.685 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962853 1066122742 /nfs/dbraw/zinc/12/27/42/1066122742.db2.gz UHPJGIIDROLNCD-MOPGFXCFSA-N 0 0 482.654 4.888 20 0 JJADRN CCC[C@@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001442391453 1066122959 /nfs/dbraw/zinc/12/29/59/1066122959.db2.gz AXJSJDSGWKTUKY-LJQANCHMSA-N 0 0 458.430 4.940 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)OC(C)(C)C3)ccc2C)cc1 ZINC001442392979 1066123048 /nfs/dbraw/zinc/12/30/48/1066123048.db2.gz DPTJBZONHBDMRJ-LJQANCHMSA-N 0 0 458.624 4.778 20 0 JJADRN Cc1c(Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)cnn1CC(C)C ZINC001360963919 1066123359 /nfs/dbraw/zinc/12/33/59/1066123359.db2.gz QUECOQFIHAZGLV-UHFFFAOYSA-N 0 0 473.625 4.973 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)COc3ccc(C)cc3)c2)cc1 ZINC001442395820 1066123580 /nfs/dbraw/zinc/12/35/80/1066123580.db2.gz LKHJJHCMUSKTGA-FQEVSTJZSA-N 0 0 452.576 4.610 20 0 JJADRN CCCc1c(C(=O)N2CCc3ccc(OCC)cc3C2)cnn1-c1cc(F)c(OC)cc1F ZINC001442394552 1066123618 /nfs/dbraw/zinc/12/36/18/1066123618.db2.gz PQXZATRNPRMQNI-UHFFFAOYSA-N 0 0 455.505 4.709 20 0 JJADRN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCCCOCC1CCOCC1 ZINC001360964470 1066123991 /nfs/dbraw/zinc/12/39/91/1066123991.db2.gz RIOLDRNLPHRNFC-UHFFFAOYSA-N 0 0 456.533 4.995 20 0 JJADRN CCCN(C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@H](C)c1ccccc1OC ZINC001442399030 1066124079 /nfs/dbraw/zinc/12/40/79/1066124079.db2.gz UZXCRDZLXDLCJG-MSOLQXFVSA-N 0 0 456.587 4.756 20 0 JJADRN CCOc1ccc2c(c1)CN(C(=O)c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)CC2 ZINC001442396652 1066124095 /nfs/dbraw/zinc/12/40/95/1066124095.db2.gz TWJBQKCQXGTRFU-UHFFFAOYSA-N 0 0 450.579 4.620 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)ccc1NC(=O)CC(C)C ZINC001442400939 1066124660 /nfs/dbraw/zinc/12/46/60/1066124660.db2.gz DXAPBYWQWRVZTJ-UHFFFAOYSA-N 0 0 456.656 4.692 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cs1 ZINC001442400931 1066124802 /nfs/dbraw/zinc/12/48/02/1066124802.db2.gz DPAXUKGIFNNTQA-SFHVURJKSA-N 0 0 456.439 4.515 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cnn1CC(C)C ZINC001360967536 1066125048 /nfs/dbraw/zinc/12/50/48/1066125048.db2.gz OHXZRNBHVMWQGN-DENIHFKCSA-N 0 0 499.704 4.884 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)nnn1Cc1ccc(F)cc1F ZINC001442407429 1066125736 /nfs/dbraw/zinc/12/57/36/1066125736.db2.gz BUEURONJCLEHQH-UHFFFAOYSA-N 0 0 450.464 4.895 20 0 JJADRN O=C(Cc1nc(C2CCCCC2)cs1)NCc1cc(Br)c2c(c1)OCCO2 ZINC001442412831 1066126140 /nfs/dbraw/zinc/12/61/40/1066126140.db2.gz LCGPOZQSDKZAAV-UHFFFAOYSA-N 0 0 451.386 4.583 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC001360969662 1066126489 /nfs/dbraw/zinc/12/64/89/1066126489.db2.gz YJBAZNVLXCCPQC-JTHBVZDNSA-N 0 0 456.652 4.960 20 0 JJADRN CC(C)(C)OCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001442429386 1066126779 /nfs/dbraw/zinc/12/67/79/1066126779.db2.gz IVDBIKFBAGYYSA-UHFFFAOYSA-N 0 0 452.576 4.699 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1F ZINC001360969972 1066126994 /nfs/dbraw/zinc/12/69/94/1066126994.db2.gz BACBBTFEAJSCKB-MNDPQUGUSA-N 0 0 450.554 4.667 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(OC)cc1OCC(C)C ZINC001360970209 1066127021 /nfs/dbraw/zinc/12/70/21/1066127021.db2.gz GXGULQSPCRZAAK-UHFFFAOYSA-N 0 0 450.329 4.922 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC001442454363 1066128043 /nfs/dbraw/zinc/12/80/43/1066128043.db2.gz XSJQYSVRZRWRIP-NSHDSACASA-N 0 0 452.274 4.604 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360971945 1066128065 /nfs/dbraw/zinc/12/80/65/1066128065.db2.gz KSMZGQYCVWWABJ-UHFFFAOYSA-N 0 0 451.615 4.663 20 0 JJADRN COCCN(C(=O)CCC(=O)Nc1c(F)cccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001442466214 1066128074 /nfs/dbraw/zinc/12/80/74/1066128074.db2.gz LQIQGBMYPMYSEK-AWEZNQCLSA-N 0 0 458.427 4.939 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 ZINC001360971986 1066128096 /nfs/dbraw/zinc/12/80/96/1066128096.db2.gz YVWFNYWLTQRLPB-ZWKOTPCHSA-N 0 0 487.626 4.795 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001360971824 1066128139 /nfs/dbraw/zinc/12/81/39/1066128139.db2.gz XVECRKZOMULBJR-GOSISDBHSA-N 0 0 475.659 4.631 20 0 JJADRN Cc1ccsc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001360972284 1066128451 /nfs/dbraw/zinc/12/84/51/1066128451.db2.gz TXMIRCTYHRQACX-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC001442467965 1066128584 /nfs/dbraw/zinc/12/85/84/1066128584.db2.gz OALUATCOWSSROX-UHFFFAOYSA-N 0 0 458.530 4.999 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360972716 1066129121 /nfs/dbraw/zinc/12/91/21/1066129121.db2.gz IYBCXUMJTSPEEG-IRXDYDNUSA-N 0 0 474.625 4.687 20 0 JJADRN Cc1ccsc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360972912 1066129166 /nfs/dbraw/zinc/12/91/66/1066129166.db2.gz PXQZJUGIGFZBHQ-QGZVFWFLSA-N 0 0 487.620 4.696 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)no1 ZINC001442473330 1066129223 /nfs/dbraw/zinc/12/92/23/1066129223.db2.gz VVZXPWKGUKCDQX-MRXNPFEDSA-N 0 0 454.521 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)C(C)(C)C1 ZINC001442472940 1066129283 /nfs/dbraw/zinc/12/92/83/1066129283.db2.gz GBNAUONHUUMQHJ-OAQYLSRUSA-N 0 0 457.615 4.715 20 0 JJADRN COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)CCCC(=O)C(C)(C)C)CC2 ZINC001442475080 1066129780 /nfs/dbraw/zinc/12/97/80/1066129780.db2.gz TWMFKWDGWJXLOF-UHFFFAOYSA-N 0 0 452.595 4.986 20 0 JJADRN Cc1c(Cn2c(CCc3ccccc3)nnc2N2C[C@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360973305 1066130141 /nfs/dbraw/zinc/13/01/41/1066130141.db2.gz FKRBJZRUYKUEIF-PMACEKPBSA-N 0 0 452.672 4.603 20 0 JJADRN O=C(/C=C\CCc1ccccc1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442476140 1066130361 /nfs/dbraw/zinc/13/03/61/1066130361.db2.gz SLCRRIIAAGGSOV-ZSOIEALJSA-N 0 0 454.570 4.739 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360973566 1066130553 /nfs/dbraw/zinc/13/05/53/1066130553.db2.gz LFAKVOMFDTUUGS-ICSRJNTNSA-N 0 0 457.619 4.700 20 0 JJADRN Cc1ccoc1Cn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360973565 1066130568 /nfs/dbraw/zinc/13/05/68/1066130568.db2.gz LFAKVOMFDTUUGS-AZUAARDMSA-N 0 0 457.619 4.700 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2O)cc1NC(=O)CN1CCCCC1 ZINC001442484124 1066130793 /nfs/dbraw/zinc/13/07/93/1066130793.db2.gz AXJDWCLKHXMXKD-UHFFFAOYSA-N 0 0 457.574 4.968 20 0 JJADRN Cc1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(C)n1C1CCOCC1 ZINC001442479287 1066130858 /nfs/dbraw/zinc/13/08/58/1066130858.db2.gz XDTNGGBNBWJLDU-HSZRJFAPSA-N 0 0 459.631 4.708 20 0 JJADRN Cc1ccsc1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360974446 1066131194 /nfs/dbraw/zinc/13/11/94/1066131194.db2.gz VOXDNCRTIKGUJC-UHFFFAOYSA-N 0 0 482.654 4.518 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC001442496343 1066131414 /nfs/dbraw/zinc/13/14/14/1066131414.db2.gz JJTOWGAXYIUYRV-WIYYLYMNSA-N 0 0 463.578 4.721 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001442495351 1066131504 /nfs/dbraw/zinc/13/15/04/1066131504.db2.gz BGNKYKLLCPEIAS-HSZRJFAPSA-N 0 0 453.464 4.721 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cc1NC(=O)CN1CCCCC1 ZINC001442494411 1066131510 /nfs/dbraw/zinc/13/15/10/1066131510.db2.gz UZYDMQYHOBWEES-SFHVURJKSA-N 0 0 455.986 4.920 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)Cc2sc(CC(F)(F)F)nc2C)c1 ZINC001360975640 1066131701 /nfs/dbraw/zinc/13/17/01/1066131701.db2.gz AIIILTRLPCSWGG-UHFFFAOYSA-N 0 0 451.470 4.611 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)ccc1OCC(F)(F)F ZINC001360975736 1066131749 /nfs/dbraw/zinc/13/17/49/1066131749.db2.gz DSCDJUVQJGCBLD-UHFFFAOYSA-N 0 0 452.498 4.903 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC001442504160 1066132040 /nfs/dbraw/zinc/13/20/40/1066132040.db2.gz PZNICMHWYCXVOP-UHFFFAOYSA-N 0 0 458.514 4.861 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1 ZINC001442507554 1066132064 /nfs/dbraw/zinc/13/20/64/1066132064.db2.gz LUECIYIHIKOGLF-QKKBWIMNSA-N 0 0 452.498 4.582 20 0 JJADRN Cc1ccccc1-c1ccc(CN(C(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)C(C)C)s1 ZINC001442535043 1066133579 /nfs/dbraw/zinc/13/35/79/1066133579.db2.gz YZAXJJYNJJCYQT-UHFFFAOYSA-N 0 0 459.637 4.789 20 0 JJADRN COc1ccc(I)c(NC(=O)Cc2nc(-c3ccccc3)cs2)c1 ZINC001442528524 1066133659 /nfs/dbraw/zinc/13/36/59/1066133659.db2.gz WMTQDSDDIYNACV-UHFFFAOYSA-N 0 0 450.301 4.605 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)cnn1CC(C)C ZINC001360976970 1066133632 /nfs/dbraw/zinc/13/36/32/1066133632.db2.gz ZXRPPQLMVIKZSJ-UHFFFAOYSA-N 0 0 480.657 4.591 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360977035 1066133696 /nfs/dbraw/zinc/13/36/96/1066133696.db2.gz BYKBFYCMZLDXPR-JOCHJYFZSA-N 0 0 498.546 4.944 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccco2)cnn1CC(C)C ZINC001360977006 1066133769 /nfs/dbraw/zinc/13/37/69/1066133769.db2.gz BGZRVGRTLDNPGT-UHFFFAOYSA-N 0 0 468.989 4.949 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCOC2)cnn1CC(C)C ZINC001360977194 1066134137 /nfs/dbraw/zinc/13/41/37/1066134137.db2.gz HQYIVNOIUXSAQD-HXUWFJFHSA-N 0 0 487.048 4.583 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)cnn1CC(C)C ZINC001360977223 1066134234 /nfs/dbraw/zinc/13/42/34/1066134234.db2.gz IWLLRFOVTRMJCT-HKUYNNGSSA-N 0 0 472.634 4.536 20 0 JJADRN Cc1ccoc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360977114 1066134241 /nfs/dbraw/zinc/13/42/41/1066134241.db2.gz DZGWCACYCXABKH-OKZBNKHCSA-N 0 0 486.642 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC001442538835 1066134180 /nfs/dbraw/zinc/13/41/80/1066134180.db2.gz FEFCHCXTLQTSNX-OALUTQOASA-N 0 0 451.405 4.772 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001442540394 1066134196 /nfs/dbraw/zinc/13/41/96/1066134196.db2.gz VJPISOCYQWLTST-CVEARBPZSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001442540418 1066134239 /nfs/dbraw/zinc/13/42/39/1066134239.db2.gz VJPISOCYQWLTST-HZPDHXFCSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cnn1CC(C)C ZINC001360977547 1066135141 /nfs/dbraw/zinc/13/51/41/1066135141.db2.gz UOZCBROGSVEZTO-QZTJIDSGSA-N 0 0 472.634 4.536 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360977517 1066135191 /nfs/dbraw/zinc/13/51/91/1066135191.db2.gz SYSFEZXOTDJFEJ-CQSZACIVSA-N 0 0 467.426 4.854 20 0 JJADRN Cc1c(Cn2c(N(C)C3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001360977526 1066135199 /nfs/dbraw/zinc/13/51/99/1066135199.db2.gz UAYJGCWEHKCANL-CQEMHVLCSA-N 0 0 472.678 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(Br)ccc1O ZINC001442544351 1066135147 /nfs/dbraw/zinc/13/51/47/1066135147.db2.gz HZYCMHLCPUXYPE-SJORKVTESA-N 0 0 453.377 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(F)F ZINC001442546894 1066135167 /nfs/dbraw/zinc/13/51/67/1066135167.db2.gz WEABDFPBYQCIMZ-MOPGFXCFSA-N 0 0 454.464 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1O ZINC001442544343 1066135189 /nfs/dbraw/zinc/13/51/89/1066135189.db2.gz HZYCMHLCPUXYPE-DLBZAZTESA-N 0 0 453.377 4.549 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(Br)ccc1O ZINC001442544345 1066135209 /nfs/dbraw/zinc/13/52/09/1066135209.db2.gz HZYCMHLCPUXYPE-IAGOWNOFSA-N 0 0 453.377 4.549 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001545949753 1066135256 /nfs/dbraw/zinc/13/52/56/1066135256.db2.gz DWLSOWYTIGLWSN-DMJCMNNJSA-N 0 0 460.594 4.563 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001545949754 1066135264 /nfs/dbraw/zinc/13/52/64/1066135264.db2.gz DWLSOWYTIGLWSN-NNPDTBDGSA-N 0 0 460.594 4.563 20 0 JJADRN CCCc1nc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)nn1-c1ccccc1Cl ZINC001360977940 1066135764 /nfs/dbraw/zinc/13/57/64/1066135764.db2.gz HBMMCMJCDPPRTI-UHFFFAOYSA-N 0 0 459.735 4.764 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccoc1 ZINC001360977592 1066135781 /nfs/dbraw/zinc/13/57/81/1066135781.db2.gz VXMUIKGBQGQCJT-UHFFFAOYSA-N 0 0 465.366 4.602 20 0 JJADRN COc1ccc(CCC(=O)Nc2nc3cc(Br)ccc3[nH]2)c(Br)c1 ZINC001360978113 1066136008 /nfs/dbraw/zinc/13/60/08/1066136008.db2.gz LRSZVCJTXDESFS-UHFFFAOYSA-N 0 0 453.134 4.668 20 0 JJADRN COc1ccc([C@@H](NC(=O)C[C@H](C)c2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360978031 1066136034 /nfs/dbraw/zinc/13/60/34/1066136034.db2.gz JNVQCRCTYBAKMF-SSOJOUAXSA-N 0 0 455.551 4.637 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)nn1 ZINC001442551173 1066136323 /nfs/dbraw/zinc/13/63/23/1066136323.db2.gz UUNJRJFBPLBFCZ-XZOQPEGZSA-N 0 0 450.583 4.846 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2cn3cc(C)sc3n2)c2ccccc2Cl)c(OC)c1 ZINC001360978392 1066136683 /nfs/dbraw/zinc/13/66/83/1066136683.db2.gz VGIYHUXGGZMBIY-QFIPXVFZSA-N 0 0 455.967 4.823 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001360978511 1066136796 /nfs/dbraw/zinc/13/67/96/1066136796.db2.gz WBOTWLFUYOIXLP-UHFFFAOYSA-N 0 0 452.190 4.647 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1 ZINC001545949814 1066136902 /nfs/dbraw/zinc/13/69/02/1066136902.db2.gz FXFBOZFLFUQRAH-FCEUIQTBSA-N 0 0 453.631 4.898 20 0 JJADRN CN(C)c1ccccc1CNC(=O)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001442551313 1066136932 /nfs/dbraw/zinc/13/69/32/1066136932.db2.gz VRMAXHZXKQZRNG-UHFFFAOYSA-N 0 0 458.381 4.759 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOCc1ccccc1 ZINC001360978688 1066137075 /nfs/dbraw/zinc/13/70/75/1066137075.db2.gz CANJUDBSNATAFU-QFIPXVFZSA-N 0 0 495.624 4.953 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC001442554610 1066137393 /nfs/dbraw/zinc/13/73/93/1066137393.db2.gz SONUPBMLFRKKKQ-INIZCTEOSA-N 0 0 450.988 4.605 20 0 JJADRN Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cccc1C(=O)Nc1ccccc1 ZINC001442553891 1066137426 /nfs/dbraw/zinc/13/74/26/1066137426.db2.gz RYBBHUUAZSBMIP-UHFFFAOYSA-N 0 0 457.939 4.525 20 0 JJADRN Cc1c(Cn2c(Nc3ccn(C)n3)nnc2-c2cc(F)ccc2Br)cnn1CC(C)C ZINC001360979190 1066137642 /nfs/dbraw/zinc/13/76/42/1066137642.db2.gz KVVGGUJHFHPQPE-UHFFFAOYSA-N 0 0 487.381 4.533 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)Oc1ccccc1F ZINC001545949919 1066137825 /nfs/dbraw/zinc/13/78/25/1066137825.db2.gz HOYPYLNZWQTDAX-OALUTQOASA-N 0 0 471.552 4.980 20 0 JJADRN CCCCCC(=O)NC1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 ZINC001442556784 1066137839 /nfs/dbraw/zinc/13/78/39/1066137839.db2.gz DWQMIVXRNNKRDS-QFIPXVFZSA-N 0 0 451.652 4.538 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)CCc2cc(Br)c(Br)s2)C1(C)C ZINC001360979759 1066137979 /nfs/dbraw/zinc/13/79/79/1066137979.db2.gz MDIFNNGXQBDOAI-STQMWFEESA-N 0 0 453.240 4.868 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCCCOc3ccc(Cl)cc3Cl)[nH]n2)c(OC)c1 ZINC001442564672 1066138440 /nfs/dbraw/zinc/13/84/40/1066138440.db2.gz XNMYHIKYFBWJKR-UHFFFAOYSA-N 0 0 450.322 4.600 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1)NC(=O)OC(C)(C)C ZINC001545949944 1066138494 /nfs/dbraw/zinc/13/84/94/1066138494.db2.gz ICEGEDIYYXATHI-FQEVSTJZSA-N 0 0 485.677 4.622 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N(CC)CC1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC001545949950 1066138518 /nfs/dbraw/zinc/13/85/18/1066138518.db2.gz IGDIRQZLSSJSHX-JOCHJYFZSA-N 0 0 499.704 4.843 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1(C)C ZINC001360980357 1066138620 /nfs/dbraw/zinc/13/86/20/1066138620.db2.gz VJRZRGGSKNRMDE-UXHICEINSA-N 0 0 459.384 4.977 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360980780 1066139100 /nfs/dbraw/zinc/13/91/00/1066139100.db2.gz GXNGQQWFLKYOOC-QFIPXVFZSA-N 0 0 479.934 4.880 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001360981527 1066140059 /nfs/dbraw/zinc/14/00/59/1066140059.db2.gz PRXUJUACDFTAEN-GHTZIAJQSA-N 0 0 451.567 4.568 20 0 JJADRN Cc1c(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2csc(Br)c2)cnn1CC(C)C ZINC001360981501 1066140150 /nfs/dbraw/zinc/14/01/50/1066140150.db2.gz QCQVYOHSZSYDRT-GOSISDBHSA-N 0 0 493.475 4.799 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CCOCC2)cc1 ZINC001360981623 1066140639 /nfs/dbraw/zinc/14/06/39/1066140639.db2.gz SJPTVXGRMAUYQP-SFHVURJKSA-N 0 0 454.567 4.968 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c1I ZINC001442576766 1066140806 /nfs/dbraw/zinc/14/08/06/1066140806.db2.gz YULAYTUNFLOBKN-WBMJQRKESA-N 0 0 453.324 4.670 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360982183 1066141209 /nfs/dbraw/zinc/14/12/09/1066141209.db2.gz CSILWFICSSZWFT-SJLPKXTDSA-N 0 0 458.912 4.687 20 0 JJADRN Cc1c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)F)C2)cnn1CC(C)C ZINC001360982072 1066141242 /nfs/dbraw/zinc/14/12/42/1066141242.db2.gz ZUOMQXOYGCLQLW-HMXCVIKNSA-N 0 0 478.632 4.887 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC001442590279 1066141357 /nfs/dbraw/zinc/14/13/57/1066141357.db2.gz GHSWCYXNCOVYOC-UHFFFAOYSA-N 0 0 450.583 4.784 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)c2)n1 ZINC001442590126 1066141363 /nfs/dbraw/zinc/14/13/63/1066141363.db2.gz DVKQZNLDCMQNSG-UHFFFAOYSA-N 0 0 457.559 4.641 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001360982410 1066142220 /nfs/dbraw/zinc/14/22/20/1066142220.db2.gz LBSNCISQNIEQBE-UHFFFAOYSA-N 0 0 475.424 4.978 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545950215 1066142290 /nfs/dbraw/zinc/14/22/90/1066142290.db2.gz MUUKYGYMKQRDJO-ICSRJNTNSA-N 0 0 475.609 4.749 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360982710 1066142842 /nfs/dbraw/zinc/14/28/42/1066142842.db2.gz SSIDZETUFAEIJQ-GOSISDBHSA-N 0 0 489.945 4.552 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC001442599295 1066142903 /nfs/dbraw/zinc/14/29/03/1066142903.db2.gz VMCPNIIMAOYNJY-FQEVSTJZSA-N 0 0 459.949 4.928 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1OC ZINC001360983076 1066143188 /nfs/dbraw/zinc/14/31/88/1066143188.db2.gz DPYYUBHXNRYHOL-IBGZPJMESA-N 0 0 459.546 4.600 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N(C)CCC1CCOCC1 ZINC001360983388 1066143244 /nfs/dbraw/zinc/14/32/44/1066143244.db2.gz ARPJDIZKZYDMBR-UHFFFAOYSA-N 0 0 497.043 4.507 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC(C)C)C(C)C ZINC001360983396 1066143850 /nfs/dbraw/zinc/14/38/50/1066143850.db2.gz AXPCJOREYVZDCU-UHFFFAOYSA-N 0 0 458.010 4.540 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1C(F)(F)F ZINC001360983692 1066144170 /nfs/dbraw/zinc/14/41/70/1066144170.db2.gz VCCQVGMVAXDRME-HOTGVXAUSA-N 0 0 454.514 4.760 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1C ZINC001442609877 1066144921 /nfs/dbraw/zinc/14/49/21/1066144921.db2.gz ONSSGZZZZWZVDC-RBUKOAKNSA-N 0 0 454.615 4.634 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(CNc2ccnc(C)n2)c1 ZINC001442609886 1066144969 /nfs/dbraw/zinc/14/49/69/1066144969.db2.gz OOXZWDCTOBDLDA-IBGZPJMESA-N 0 0 457.578 4.972 20 0 JJADRN CC(C)(C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001442611946 1066144978 /nfs/dbraw/zinc/14/49/78/1066144978.db2.gz IJYRVLCELZMYIG-ZWKOTPCHSA-N 0 0 474.955 4.505 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C)CC1 ZINC001360984235 1066145223 /nfs/dbraw/zinc/14/52/23/1066145223.db2.gz PXWVZWYFUWJHSQ-PKOBYXMFSA-N 0 0 460.022 4.789 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360984170 1066145270 /nfs/dbraw/zinc/14/52/70/1066145270.db2.gz OKMRDYISVZXMLV-KRWDZBQOSA-N 0 0 474.943 4.812 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2ccccn2)nnc1N(C)CCCc1ccccn1 ZINC001360984222 1066145309 /nfs/dbraw/zinc/14/53/09/1066145309.db2.gz POSHKXXHFXSWNF-UHFFFAOYSA-N 0 0 490.011 4.795 20 0 JJADRN CC(C)(C)c1nc2cc(NC(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)ccc2[nH]1 ZINC001442616535 1066145272 /nfs/dbraw/zinc/14/52/72/1066145272.db2.gz URUAVTVMKXRPQV-UHFFFAOYSA-N 0 0 456.472 4.959 20 0 JJADRN CSCC[C@@H](CC(=O)N[C@@H](C)Cc1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001442617022 1066145943 /nfs/dbraw/zinc/14/59/43/1066145943.db2.gz RUAFNUKVLWXVBN-YOEHRIQHSA-N 0 0 459.450 4.533 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360984365 1066146184 /nfs/dbraw/zinc/14/61/84/1066146184.db2.gz ULLPVGVFXDBKTN-GHTZIAJQSA-N 0 0 455.647 4.863 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cccs1 ZINC001360984407 1066146224 /nfs/dbraw/zinc/14/62/24/1066146224.db2.gz VYGNOCAIWQZSML-UHFFFAOYSA-N 0 0 481.025 4.952 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001360984359 1066146264 /nfs/dbraw/zinc/14/62/64/1066146264.db2.gz UCTYQISZNUGSOK-ROUUACIJSA-N 0 0 467.017 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)[nH]n2)C1 ZINC001442625536 1066146313 /nfs/dbraw/zinc/14/63/13/1066146313.db2.gz 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JJADRN Cc1ccc(C2=CCN(C(=O)C3(C4(O)CCN(C(=O)OC(C)(C)C)CC4)CCC3)CC2)cc1 ZINC001442657422 1066147474 /nfs/dbraw/zinc/14/74/74/1066147474.db2.gz OTOJPSCLMJOSPF-UHFFFAOYSA-N 0 0 454.611 4.543 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC1(C)C ZINC001360985548 1066147835 /nfs/dbraw/zinc/14/78/35/1066147835.db2.gz DXJOEKSVYKFJHH-SFTDATJTSA-N 0 0 453.631 4.690 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)s1 ZINC001442667708 1066149457 /nfs/dbraw/zinc/14/94/57/1066149457.db2.gz SHZXIODPESRTPQ-MRXNPFEDSA-N 0 0 451.683 4.848 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442670317 1066149938 /nfs/dbraw/zinc/14/99/38/1066149938.db2.gz VCHHJCMQFCTIPY-ZWKOTPCHSA-N 0 0 459.167 4.780 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442667721 1066150025 /nfs/dbraw/zinc/15/00/25/1066150025.db2.gz MTCNACWSZQJEJL-INIZCTEOSA-N 0 0 451.317 4.603 20 0 JJADRN 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474.049 4.937 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCOC(C)C ZINC001360990042 1066165167 /nfs/dbraw/zinc/16/51/67/1066165167.db2.gz PENBCPBPMLRBOG-TZIWHRDSSA-N 0 0 488.036 4.546 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCCOCC(F)F ZINC001360990070 1066165646 /nfs/dbraw/zinc/16/56/46/1066165646.db2.gz PNZFOGYMEUFBBH-UUOWRZLLSA-N 0 0 499.002 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCCCC2)n1CC1([S@](C)=O)CC1 ZINC001360990089 1066165673 /nfs/dbraw/zinc/16/56/73/1066165673.db2.gz PVAINVUUZLLXOO-DRKIFQHWSA-N 0 0 465.063 4.980 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360990207 1066166569 /nfs/dbraw/zinc/16/65/69/1066166569.db2.gz RAYYNOUFTLDWDZ-IZBJGVDFSA-N 0 0 499.002 4.710 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360990247 1066166592 /nfs/dbraw/zinc/16/65/92/1066166592.db2.gz RSEFFADDSQCSCW-BGOXYXCDSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)F)n1C[C@]1(O)CCSC1 ZINC001360990280 1066167058 /nfs/dbraw/zinc/16/70/58/1066167058.db2.gz RYXTWNQQRKQJSE-QVKFZJNVSA-N 0 0 475.005 4.648 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1CCC(F)(F)CC1 ZINC001360990311 1066167207 /nfs/dbraw/zinc/16/72/07/1066167207.db2.gz SUHJIDIHFOPVSC-AEFFLSMTSA-N 0 0 496.002 4.825 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCCS(C)(=O)=O)n1[C@@H]1C[C@H]1C(C)C ZINC001360990326 1066167232 /nfs/dbraw/zinc/16/72/32/1066167232.db2.gz SXAJZUNCSHVQAT-YZGWKJHDSA-N 0 0 483.078 4.776 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCCC(F)(F)F ZINC001360990310 1066167235 /nfs/dbraw/zinc/16/72/35/1066167235.db2.gz SROXWXNFRZLWFL-YCRPNKLZSA-N 0 0 487.954 4.733 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@H]1CCCOC1 ZINC001360990327 1066167549 /nfs/dbraw/zinc/16/75/49/1066167549.db2.gz SXWOBFOTZYKVMY-DLBZAZTESA-N 0 0 454.949 4.960 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1C[C@@H]1CCCOC1 ZINC001360990330 1066167564 /nfs/dbraw/zinc/16/75/64/1066167564.db2.gz SXWOBFOTZYKVMY-SJORKVTESA-N 0 0 454.949 4.960 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CCCC1 ZINC001360990559 1066168255 /nfs/dbraw/zinc/16/82/55/1066168255.db2.gz XKRHCIICGWCFOQ-HKUYNNGSSA-N 0 0 460.022 4.580 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C3CC3)C2)n1CCCC(=O)N(C)C ZINC001360990841 1066169209 /nfs/dbraw/zinc/16/92/09/1066169209.db2.gz ZYJCYZQRPJWQLP-QUCCMNQESA-N 0 0 474.049 4.793 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1)c1ccccc1C ZINC001360990870 1066169216 /nfs/dbraw/zinc/16/92/16/1066169216.db2.gz DSGPRGPCQAHTRA-QFIPXVFZSA-N 0 0 452.576 4.870 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(C)C)n1C[C@@H](C)N1CCOCC1 ZINC001360990844 1066169256 /nfs/dbraw/zinc/16/92/56/1066169256.db2.gz ZYTCPVZYWVRJAZ-NHCUHLMSSA-N 0 0 478.081 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCCO1 ZINC001360991244 1066169444 /nfs/dbraw/zinc/16/94/44/1066169444.db2.gz AVHWOLACHGKXMH-JTJHWIPRSA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1[C@@H]1C[C@H]1CF ZINC001360992186 1066171050 /nfs/dbraw/zinc/17/10/50/1066171050.db2.gz KFVNVAHRHNXLLO-XYJFISCASA-N 0 0 471.955 4.606 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@H]2C)n1CCCC(=O)NC1CC1 ZINC001360992256 1066171307 /nfs/dbraw/zinc/17/13/07/1066171307.db2.gz LYFFRWKNKZSLII-QZTJIDSGSA-N 0 0 492.089 4.689 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@H]2C)n1CC1=CCCOC1 ZINC001360992245 1066171347 /nfs/dbraw/zinc/17/13/47/1066171347.db2.gz LWKJOAJLVUEIOG-QZTJIDSGSA-N 0 0 463.047 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@H]2C)n1CC1(O)CCC1 ZINC001360992513 1066172064 /nfs/dbraw/zinc/17/20/64/1066172064.db2.gz PBBSKDGTAGIBSW-SJORKVTESA-N 0 0 451.036 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C1CC1 ZINC001360992871 1066172616 /nfs/dbraw/zinc/17/26/16/1066172616.db2.gz VKEDBDKQNPFAGO-GOSISDBHSA-N 0 0 476.021 4.938 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS(=O)CC2)n1CCc1cccs1 ZINC001360993134 1066173055 /nfs/dbraw/zinc/17/30/55/1066173055.db2.gz ZEQJRNRIJMHXJL-QGZVFWFLSA-N 0 0 479.071 4.561 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360993148 1066173127 /nfs/dbraw/zinc/17/31/27/1066173127.db2.gz ZJXVTRZFTANIKT-FPDPHYFHSA-N 0 0 475.012 4.881 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCCC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC001360993478 1066173325 /nfs/dbraw/zinc/17/33/25/1066173325.db2.gz IBWQWDXLBFNXJW-NRFANRHFSA-N 0 0 455.396 4.915 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2sccc2C(=O)C(C)(C)C)cc1 ZINC001360993286 1066173332 /nfs/dbraw/zinc/17/33/32/1066173332.db2.gz CZDVVTPVAAIHGQ-UHFFFAOYSA-N 0 0 450.626 4.579 20 0 JJADRN CN(C(=O)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001360993426 1066173381 /nfs/dbraw/zinc/17/33/81/1066173381.db2.gz HEVLDMYZPXRQJS-QGZVFWFLSA-N 0 0 455.274 4.736 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)no1 ZINC001360994461 1066173622 /nfs/dbraw/zinc/17/36/22/1066173622.db2.gz MZABKGBHKQCNFS-DOTOQJQBSA-N 0 0 482.551 4.564 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C4CC4)n3CCCSCC(C)C)CC2)c(C)o1 ZINC001360994791 1066174072 /nfs/dbraw/zinc/17/40/72/1066174072.db2.gz ACGJNRMOWJMZDC-UHFFFAOYSA-N 0 0 459.660 4.543 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@@H](C)C3)CC2)c(C)o1 ZINC001360995077 1066174082 /nfs/dbraw/zinc/17/40/82/1066174082.db2.gz LLTMWDSRYXZIGF-GHTZIAJQSA-N 0 0 485.673 4.681 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H](C)c3ccccc3)CC2)no1 ZINC001360995009 1066174086 /nfs/dbraw/zinc/17/40/86/1066174086.db2.gz JEMGQVXVIIIBPY-LJQANCHMSA-N 0 0 478.641 4.756 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)C)CC2)c(C)o1 ZINC001360995271 1066174267 /nfs/dbraw/zinc/17/42/67/1066174267.db2.gz TUNSSZJHMONYAT-UHFFFAOYSA-N 0 0 455.990 4.863 20 0 JJADRN Cc1cc([C@@H](NC(=O)CCN2C(=O)COc3ccccc32)c2ccccc2Cl)ccc1F ZINC001360995964 1066174822 /nfs/dbraw/zinc/17/48/22/1066174822.db2.gz WVACDVFDCOJFHL-RUZDIDTESA-N 0 0 452.913 4.809 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)c(C)o1 ZINC001360997121 1066175383 /nfs/dbraw/zinc/17/53/83/1066175383.db2.gz APSSXDBHCPKVDJ-SANMLTNESA-N 0 0 452.599 4.587 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)c(C)o1 ZINC001360997378 1066175994 /nfs/dbraw/zinc/17/59/94/1066175994.db2.gz GRPZJRZILNZASB-AJTFRIOCSA-N 0 0 482.625 4.713 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOCC2)c(C)o1 ZINC001360997860 1066176612 /nfs/dbraw/zinc/17/66/12/1066176612.db2.gz PIAJTIGNQMFXQJ-CLOONOSVSA-N 0 0 489.016 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC2CC(F)C2)c(C)o1 ZINC001360997676 1066176639 /nfs/dbraw/zinc/17/66/39/1066176639.db2.gz MJWSPMWUVHQKAY-QEAWBRDWSA-N 0 0 478.515 4.848 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2F)c(C)o1 ZINC001360998150 1066177304 /nfs/dbraw/zinc/17/73/04/1066177304.db2.gz VUKXUTLHXJJXTB-DEOSSOPVSA-N 0 0 469.948 4.887 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)c(C)o1 ZINC001360998098 1066177340 /nfs/dbraw/zinc/17/73/40/1066177340.db2.gz UKXGJQUWDSNECB-XMHCIUCPSA-N 0 0 459.388 4.590 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998249 1066177475 /nfs/dbraw/zinc/17/74/75/1066177475.db2.gz XUMNARROYDEZST-BCHFMIIMSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998226 1066177538 /nfs/dbraw/zinc/17/75/38/1066177538.db2.gz XIUXRVZYGOTECM-AFMDSPMNSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001360998561 1066177957 /nfs/dbraw/zinc/17/79/57/1066177957.db2.gz DCQNJERVSPXWMF-QFIPXVFZSA-N 0 0 460.003 4.752 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)o1 ZINC001361000013 1066178395 /nfs/dbraw/zinc/17/83/95/1066178395.db2.gz QWODCEGLOZOKRI-HXUWFJFHSA-N 0 0 480.516 4.502 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCSC2)c(C)o1 ZINC001361000424 1066178580 /nfs/dbraw/zinc/17/85/80/1066178580.db2.gz UJGNNAOJESVVRS-KSFYIVLOSA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000442 1066178586 /nfs/dbraw/zinc/17/85/86/1066178586.db2.gz ULMWLLVIRRHFPJ-SQJMNOBHSA-N 0 0 490.551 4.875 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N(Cc2ccco2)C[C@H]2CCCO2)c(C)o1 ZINC001361000355 1066178599 /nfs/dbraw/zinc/17/85/99/1066178599.db2.gz TZWKQIFUBVJQSQ-QFQXNSOFSA-N 0 0 470.614 4.763 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC001361000830 1066178818 /nfs/dbraw/zinc/17/88/18/1066178818.db2.gz AZIDUWUIVKELOA-RDTXWAMCSA-N 0 0 459.686 4.552 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001361001604 1066179044 /nfs/dbraw/zinc/17/90/44/1066179044.db2.gz WDXGYVNKWRJQBS-KNQAVFIVSA-N 0 0 457.393 4.970 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCCO2)c(C)o1 ZINC001361002869 1066179760 /nfs/dbraw/zinc/17/97/60/1066179760.db2.gz JWAPTEXUEGXDMK-BWKNWUBXSA-N 0 0 473.017 4.645 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c(C)o1 ZINC001361003039 1066180237 /nfs/dbraw/zinc/18/02/37/1066180237.db2.gz NAHVYKUAHIIBPX-QVJSAIJNSA-N 0 0 476.543 4.929 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](C(F)F)C2)c(C)o1 ZINC001361003025 1066180246 /nfs/dbraw/zinc/18/02/46/1066180246.db2.gz MTTKEYYWDOTUKF-VGOFRKELSA-N 0 0 450.555 4.529 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c(C)o1 ZINC001361003214 1066180673 /nfs/dbraw/zinc/18/06/73/1066180673.db2.gz QIJVWFRWHCHDND-SXOMAYOGSA-N 0 0 484.616 4.767 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N(C)[C@@H](C)c3cccs3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)o1 ZINC001361003262 1066180701 /nfs/dbraw/zinc/18/07/01/1066180701.db2.gz RMRSWFVTZKMGGD-PISWEHOVSA-N 0 0 488.654 4.695 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCc3ccccc3)nnc2N(C)C[C@@H](C)c2nccs2)c(C)o1 ZINC001361003542 1066181188 /nfs/dbraw/zinc/18/11/88/1066181188.db2.gz WYPIDYXJLKTDFP-WXTAPIANSA-N 0 0 479.650 4.877 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)c(C)o1 ZINC001361003726 1066182018 /nfs/dbraw/zinc/18/20/18/1066182018.db2.gz ZXDXKAIAGLPBDM-VWLBVBLESA-N 0 0 476.980 4.812 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)c3cccc(C)c3)C2)n1 ZINC001361004729 1066183047 /nfs/dbraw/zinc/18/30/47/1066183047.db2.gz RQVYJZQXIIVXMA-RXVVDRJESA-N 0 0 466.655 4.677 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)CCc2cccc(Br)c2)ccn1 ZINC001361006161 1066184701 /nfs/dbraw/zinc/18/47/01/1066184701.db2.gz JXZITAIQZQPTOM-UHFFFAOYSA-N 0 0 454.324 4.567 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(N(C)Cc3cscn3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361006698 1066185187 /nfs/dbraw/zinc/18/51/87/1066185187.db2.gz ABWCNVRSTSHASR-DVECYGJZSA-N 0 0 455.628 4.524 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H](C)C2)c1 ZINC001361006758 1066185260 /nfs/dbraw/zinc/18/52/60/1066185260.db2.gz AIQULPJBRYEZAB-VAMGGRTRSA-N 0 0 451.640 4.864 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC001361007042 1066185814 /nfs/dbraw/zinc/18/58/14/1066185814.db2.gz DDQQJOGSICOGBE-GOTSBHOMSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)c1 ZINC001361006814 1066185837 /nfs/dbraw/zinc/18/58/37/1066185837.db2.gz ARVANPVXYAEVJH-QGZVFWFLSA-N 0 0 458.532 4.960 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361007073 1066185921 /nfs/dbraw/zinc/18/59/21/1066185921.db2.gz DPNHUYTZJSZFFJ-AKIFATBCSA-N 0 0 483.657 4.778 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007182 1066186426 /nfs/dbraw/zinc/18/64/26/1066186426.db2.gz GMWWVNRUEQGCTF-AOHZBQACSA-N 0 0 497.684 4.977 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361007247 1066186501 /nfs/dbraw/zinc/18/65/01/1066186501.db2.gz HJQQCIVECLXESE-ICSRJNTNSA-N 0 0 465.602 4.939 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001361007537 1066187006 /nfs/dbraw/zinc/18/70/06/1066187006.db2.gz NFOJKXPPOBQHHC-HOCLYGCPSA-N 0 0 458.488 4.536 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C(C)(C)C ZINC001361007906 1066187501 /nfs/dbraw/zinc/18/75/01/1066187501.db2.gz DIXFNJYEORVOMH-UHFFFAOYSA-N 0 0 480.579 4.581 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007944 1066187514 /nfs/dbraw/zinc/18/75/14/1066187514.db2.gz RSANLFXNQRUXDD-URXFXBBRSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007810 1066187554 /nfs/dbraw/zinc/18/75/54/1066187554.db2.gz PZNBQRUTWKNOGQ-ZJSXRUAMSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC001361008098 1066188172 /nfs/dbraw/zinc/18/81/72/1066188172.db2.gz UAEOPYMXMLQRLG-XZOQPEGZSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001361008235 1066188690 /nfs/dbraw/zinc/18/86/90/1066188690.db2.gz JXIUOTNPBTZCAF-KOSHJBKYSA-N 0 0 496.574 4.698 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1 ZINC001361008427 1066189289 /nfs/dbraw/zinc/18/92/89/1066189289.db2.gz MUTKPLKKIPDMFO-LJQANCHMSA-N 0 0 495.546 4.561 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001361008779 1066190575 /nfs/dbraw/zinc/19/05/75/1066190575.db2.gz SQNRAEOLBVXSTP-INIZCTEOSA-N 0 0 490.448 4.505 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001361008792 1066190790 /nfs/dbraw/zinc/19/07/90/1066190790.db2.gz TYYVDKUULYUBTD-QGZVFWFLSA-N 0 0 459.516 4.643 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001361008791 1066190815 /nfs/dbraw/zinc/19/08/15/1066190815.db2.gz TYYVDKUULYUBTD-KRWDZBQOSA-N 0 0 459.516 4.643 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001361008780 1066190934 /nfs/dbraw/zinc/19/09/34/1066190934.db2.gz SQNRAEOLBVXSTP-MRXNPFEDSA-N 0 0 490.448 4.505 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001361009152 1066191585 /nfs/dbraw/zinc/19/15/85/1066191585.db2.gz FCSBUWGQXOYDRP-UHFFFAOYSA-N 0 0 457.811 4.676 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)c1 ZINC001361009464 1066191603 /nfs/dbraw/zinc/19/16/03/1066191603.db2.gz APYNVFYBFMCRKF-IBGZPJMESA-N 0 0 458.360 4.726 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001361009478 1066191962 /nfs/dbraw/zinc/19/19/62/1066191962.db2.gz NHAYFMRUBUFION-SNVBAGLBSA-N 0 0 456.770 4.735 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)c1 ZINC001361010369 1066192809 /nfs/dbraw/zinc/19/28/09/1066192809.db2.gz BQXTWNFCHJHYJQ-MRXNPFEDSA-N 0 0 465.545 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NC[C@@H]2SCCc3ccccc32)C1 ZINC001361010856 1066193271 /nfs/dbraw/zinc/19/32/71/1066193271.db2.gz XGQSGLYCBTUNOU-JRFVFWCSSA-N 0 0 466.647 4.859 20 0 JJADRN Cc1cc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCC2)c(C)c1 ZINC001361010968 1066193327 /nfs/dbraw/zinc/19/33/27/1066193327.db2.gz FTKQTWVKHOSFQZ-UHFFFAOYSA-N 0 0 453.631 4.966 20 0 JJADRN COc1cc2ccc(C(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)cc2cc1OC ZINC001361010509 1066193354 /nfs/dbraw/zinc/19/33/54/1066193354.db2.gz XFIZETHKBVZOJZ-UHFFFAOYSA-N 0 0 454.832 4.733 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H]2C)c(C)c1 ZINC001361011222 1066194074 /nfs/dbraw/zinc/19/40/74/1066194074.db2.gz LZNFUFZVTUBSJS-IRLDBZIGSA-N 0 0 469.630 4.549 20 0 JJADRN Cc1cc(C)c(Cn2c(C3CC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361011094 1066194176 /nfs/dbraw/zinc/19/41/76/1066194176.db2.gz IGNYHDFIXXBXNW-FPOVZHCZSA-N 0 0 453.631 4.869 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1 ZINC001361011259 1066194198 /nfs/dbraw/zinc/19/41/98/1066194198.db2.gz NCRIENXWGMBSQR-GGAORHGYSA-N 0 0 483.657 4.939 20 0 JJADRN Cc1cc(C)c(Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)c(C)c1 ZINC001361011395 1066194705 /nfs/dbraw/zinc/19/47/05/1066194705.db2.gz RBQSNCPCLMAMDS-UHFFFAOYSA-N 0 0 451.659 4.679 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cccn3C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361011671 1066194765 /nfs/dbraw/zinc/19/47/65/1066194765.db2.gz ZLTQJDFJINHVPH-FGZHOGPDSA-N 0 0 492.668 4.997 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)c(C)c1 ZINC001361011847 1066195433 /nfs/dbraw/zinc/19/54/33/1066195433.db2.gz GOLACHRTBLKSIN-BHIFYINESA-N 0 0 483.657 4.638 20 0 JJADRN Cc1cc(C)c(Cn2c(CC(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(C)c1 ZINC001361012223 1066197423 /nfs/dbraw/zinc/19/74/23/1066197423.db2.gz UFGAOUOGWBXQHY-SZPZYZBQSA-N 0 0 467.658 4.753 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC001361013536 1066198783 /nfs/dbraw/zinc/19/87/83/1066198783.db2.gz NRWJAMWHJFSJMS-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CCOc2ncccc2Cl)c(C)c1 ZINC001361013982 1066199553 /nfs/dbraw/zinc/19/95/53/1066199553.db2.gz BTPPKQVHKAUQQR-UHFFFAOYSA-N 0 0 485.032 4.604 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014009 1066199560 /nfs/dbraw/zinc/19/95/60/1066199560.db2.gz CSSFVLUCYLFMTQ-HXUWFJFHSA-N 0 0 467.639 4.590 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCO[C@H]2C(C)C)c(C)c1 ZINC001361014112 1066200269 /nfs/dbraw/zinc/20/02/69/1066200269.db2.gz GUQFBZHWKVDMJX-QPPBQGQZSA-N 0 0 453.631 4.607 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2)c(C)c1 ZINC001361015046 1066202224 /nfs/dbraw/zinc/20/22/24/1066202224.db2.gz XORXXILGRQTZGJ-QFIPXVFZSA-N 0 0 478.666 4.550 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361015022 1066202346 /nfs/dbraw/zinc/20/23/46/1066202346.db2.gz NKDYCMJHMHYXSR-OAQYLSRUSA-N 0 0 453.631 4.708 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001361015173 1066202738 /nfs/dbraw/zinc/20/27/38/1066202738.db2.gz PJLIPQRYIKQDNH-REWPJTCUSA-N 0 0 476.625 4.549 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC001361015309 1066203346 /nfs/dbraw/zinc/20/33/46/1066203346.db2.gz UOWSUEXFFFGMJH-JOCHJYFZSA-N 0 0 474.653 4.577 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015993 1066203938 /nfs/dbraw/zinc/20/39/38/1066203938.db2.gz FDODLMATACOGEH-DUQGCJEPSA-N 0 0 458.505 4.824 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001361016690 1066204328 /nfs/dbraw/zinc/20/43/28/1066204328.db2.gz FJBDBFFRWBWZRE-DEOSSOPVSA-N 0 0 497.684 4.773 20 0 JJADRN Cc1cc(C)cc(CCn2c(Cc3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017186 1066205691 /nfs/dbraw/zinc/20/56/91/1066205691.db2.gz LOGGPDUSGVSMOS-XMMPIXPASA-N 0 0 490.652 4.569 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2CCC(F)(F)CC2)c1 ZINC001361017785 1066206688 /nfs/dbraw/zinc/20/66/88/1066206688.db2.gz CLDKKWSGPHARAR-UHFFFAOYSA-N 0 0 477.600 4.650 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361017646 1066206955 /nfs/dbraw/zinc/20/69/55/1066206955.db2.gz ZDDPAQLMLSEZMF-RPWUZVMVSA-N 0 0 497.684 4.867 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC(=O)NC2CC2)c1 ZINC001361018609 1066208730 /nfs/dbraw/zinc/20/87/30/1066208730.db2.gz QDDUUSHSZPULEL-XMSQKQJNSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CC[C@H]2COCCO2)c1 ZINC001361019382 1066209240 /nfs/dbraw/zinc/20/92/40/1066209240.db2.gz ZUTQANKPFWDIRT-UXHICEINSA-N 0 0 456.612 4.538 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)c2cccs2)c1 ZINC001361020690 1066211175 /nfs/dbraw/zinc/21/11/75/1066211175.db2.gz CZBAPVIVOFKBHL-UHFFFAOYSA-N 0 0 462.623 4.940 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC2(F)CCC2)c1 ZINC001361020795 1066211257 /nfs/dbraw/zinc/21/12/57/1066211257.db2.gz ICTJSIIQLQEDKK-UHFFFAOYSA-N 0 0 460.985 4.780 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001361020830 1066211845 /nfs/dbraw/zinc/21/18/45/1066211845.db2.gz JROLATQPUBEYLA-GMAHTHKFSA-N 0 0 478.641 4.696 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[C@@H]2CCCCO2)c1 ZINC001361021001 1066212333 /nfs/dbraw/zinc/21/23/33/1066212333.db2.gz PWAAXBAOOQZXCR-QHCPKHFHSA-N 0 0 478.641 4.983 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361020992 1066212592 /nfs/dbraw/zinc/21/25/92/1066212592.db2.gz PKEBASGKGFXSRT-SFHVURJKSA-N 0 0 497.562 4.872 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001361021055 1066212888 /nfs/dbraw/zinc/21/28/88/1066212888.db2.gz BYGFWQHWZNKYDZ-UHFFFAOYSA-N 0 0 459.546 4.832 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC2CCCCC2)s1 ZINC001361021350 1066214424 /nfs/dbraw/zinc/21/44/24/1066214424.db2.gz VENIOXXUTTUVQV-UHFFFAOYSA-N 0 0 496.681 4.714 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(Cl)nc1 ZINC001361021592 1066215072 /nfs/dbraw/zinc/21/50/72/1066215072.db2.gz ZZGAWRBKBASUNH-UHFFFAOYSA-N 0 0 480.016 4.557 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)nn(C)c2C)s1 ZINC001361021553 1066215130 /nfs/dbraw/zinc/21/51/30/1066215130.db2.gz YVNCNBWIPYYURW-UHFFFAOYSA-N 0 0 464.639 4.879 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCC3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001361021948 1066215810 /nfs/dbraw/zinc/21/58/10/1066215810.db2.gz BBPVXYOBNLLAMF-UHFFFAOYSA-N 0 0 474.531 4.762 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC2([S@@](C)=O)CCC2)c1 ZINC001361022140 1066216241 /nfs/dbraw/zinc/21/62/41/1066216241.db2.gz HESYRGAQJGCCJL-XFSFLGPDSA-N 0 0 456.656 4.568 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCSC(F)(F)F)c1 ZINC001361022117 1066216272 /nfs/dbraw/zinc/21/62/72/1066216272.db2.gz GTIUSCRQLXURGW-QGZVFWFLSA-N 0 0 458.550 4.590 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3nccs3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361022316 1066217411 /nfs/dbraw/zinc/21/74/11/1066217411.db2.gz MRPOKDGDMZDVMW-XMMPIXPASA-N 0 0 483.663 4.579 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361022495 1066217822 /nfs/dbraw/zinc/21/78/22/1066217822.db2.gz SFFDFUYCRZTUKR-HXUWFJFHSA-N 0 0 489.542 4.799 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CCN2CCOC[C@H]2C)c1 ZINC001361023604 1066220032 /nfs/dbraw/zinc/22/00/32/1066220032.db2.gz BPYHWOWWWUROTC-JOCHJYFZSA-N 0 0 483.682 4.671 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2CC(=O)NC2CCCCC2)c1 ZINC001361023568 1066220098 /nfs/dbraw/zinc/22/00/98/1066220098.db2.gz AYHPCFJFRWZDBA-WIYYLYMNSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361024078 1066221481 /nfs/dbraw/zinc/22/14/81/1066221481.db2.gz HGQZSLNLVUWDEA-AREMUKBSSA-N 0 0 464.566 4.983 20 0 JJADRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c1 ZINC001453931561 1066221914 /nfs/dbraw/zinc/22/19/14/1066221914.db2.gz YBNAKURGFQXWJS-UHFFFAOYSA-N 0 0 453.995 4.736 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C(C)C)n2Cc2ccnc(-n3cccn3)c2)c1 ZINC001361024482 1066222522 /nfs/dbraw/zinc/22/25/22/1066222522.db2.gz MLZGHYFPZFZIOW-UHFFFAOYSA-N 0 0 473.625 4.974 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC[C@H]3c3ccc(Br)cc3)C2)c1 ZINC001453938160 1066222742 /nfs/dbraw/zinc/22/27/42/1066222742.db2.gz UHKATYKOYLTBRX-UGKGYDQZSA-N 0 0 455.396 4.892 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cs1 ZINC001361024613 1066222728 /nfs/dbraw/zinc/22/27/28/1066222728.db2.gz NWZBZMXWPGDKME-JXFKEZNVSA-N 0 0 495.571 4.638 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(Cc3ccco3)C(C)C)n2CCN2CCOCC2(C)C)c1 ZINC001361024477 1066222788 /nfs/dbraw/zinc/22/27/88/1066222788.db2.gz MKYYTFYYCCYPSJ-UHFFFAOYSA-N 0 0 481.641 4.593 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)O1 ZINC001546056280 1066223165 /nfs/dbraw/zinc/22/31/65/1066223165.db2.gz DIFQCEQDWWNEOU-WDZJFXIESA-N 0 0 456.631 4.825 20 0 JJADRN CC(C)(CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@]1(O)CCCOC1 ZINC001453945722 1066223883 /nfs/dbraw/zinc/22/38/83/1066223883.db2.gz HEAYXYMGPKVKQU-DEOSSOPVSA-N 0 0 456.633 4.886 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCOCC1 ZINC001442802153 1066224043 /nfs/dbraw/zinc/22/40/43/1066224043.db2.gz VHOYZPKUOCSMBZ-HUUCEWRRSA-N 0 0 459.414 4.923 20 0 JJADRN C[C@@H](CNC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1c(Cl)cccc1Cl ZINC001442802148 1066224161 /nfs/dbraw/zinc/22/41/61/1066224161.db2.gz VHOYZPKUOCSMBZ-GJZGRUSLSA-N 0 0 459.414 4.923 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001361025116 1066224134 /nfs/dbraw/zinc/22/41/34/1066224134.db2.gz WXFRODZKWAZEJN-QHAWAJNXSA-N 0 0 471.646 4.822 20 0 JJADRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cnn(C(C)C)c2I)cc1 ZINC001361025741 1066224653 /nfs/dbraw/zinc/22/46/53/1066224653.db2.gz NFHVACKENZUEHI-YJBOKZPZSA-N 0 0 451.352 4.990 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001361026154 1066225609 /nfs/dbraw/zinc/22/56/09/1066225609.db2.gz ZVUZHMSLERYEMJ-MRXNPFEDSA-N 0 0 459.359 4.569 20 0 JJADRN C[C@H](CC(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001453960690 1066226164 /nfs/dbraw/zinc/22/61/64/1066226164.db2.gz NCWKQLKQYDZQDQ-MOPGFXCFSA-N 0 0 454.652 4.876 20 0 JJADRN C[C@@H](NC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1Oc1ccccc1 ZINC001442812725 1066226241 /nfs/dbraw/zinc/22/62/41/1066226241.db2.gz MSQASLVTVYLHRH-NIYFSFCBSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)c3ccc(OC(F)F)c(Br)c3)co2)cc1 ZINC001442814867 1066226466 /nfs/dbraw/zinc/22/64/66/1066226466.db2.gz QWAWKHOTGZQMQN-UHFFFAOYSA-N 0 0 451.267 4.986 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccccc1C ZINC001453963127 1066226414 /nfs/dbraw/zinc/22/64/14/1066226414.db2.gz NIGZMZKBJHTELD-VWLOTQADSA-N 0 0 458.558 4.902 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001361026590 1066226829 /nfs/dbraw/zinc/22/68/29/1066226829.db2.gz CWTNSAZTGLKEQR-ZWKOTPCHSA-N 0 0 465.425 4.924 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC2(O)CCCC2)c1 ZINC001361026774 1066227772 /nfs/dbraw/zinc/22/77/72/1066227772.db2.gz GDIGZYXXASRENW-UHFFFAOYSA-N 0 0 451.398 4.678 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(c4cnn(C)c4)CC3)n2CCC(C)(F)F)c1 ZINC001361026979 1066228207 /nfs/dbraw/zinc/22/82/07/1066228207.db2.gz IZXDDVMYYIVLPY-UHFFFAOYSA-N 0 0 458.557 4.637 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CO)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361027045 1066228343 /nfs/dbraw/zinc/22/83/43/1066228343.db2.gz KQNTYHRUFAARGP-UXHICEINSA-N 0 0 466.548 4.976 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545952236 1066228286 /nfs/dbraw/zinc/22/82/86/1066228286.db2.gz JBRINEBDZWCCDV-YFVAEKQCSA-N 0 0 470.593 4.939 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC001442831109 1066228347 /nfs/dbraw/zinc/22/83/47/1066228347.db2.gz CKCGGTBOXOXNFR-LLVKDONJSA-N 0 0 450.429 4.878 20 0 JJADRN COc1cccc(C2(NC(=O)c3cccc(OCCN(C)C(=O)OC(C)(C)C)c3)CCC2)c1 ZINC001453976524 1066228386 /nfs/dbraw/zinc/22/83/86/1066228386.db2.gz KNWCWWPQKUCOGY-UHFFFAOYSA-N 0 0 454.567 4.750 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)Oc1cccc(F)c1 ZINC001545952233 1066228457 /nfs/dbraw/zinc/22/84/57/1066228457.db2.gz JBRINEBDZWCCDV-FBBABVLZSA-N 0 0 470.593 4.939 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCS[C@H](C(C)C)C2)O1 ZINC001546056545 1066228661 /nfs/dbraw/zinc/22/86/61/1066228661.db2.gz HCCVPDXZBZDVPW-OTNCWRBYSA-N 0 0 474.671 4.791 20 0 JJADRN COc1cc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)c(Cl)cc1Br ZINC001453982245 1066229055 /nfs/dbraw/zinc/22/90/55/1066229055.db2.gz LNZDQKAWXIOWNC-FUXBKTLASA-N 0 0 467.673 4.867 20 0 JJADRN COc1cc(NC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)c(Cl)cc1Br ZINC001453984004 1066229183 /nfs/dbraw/zinc/22/91/83/1066229183.db2.gz OTBFUTFKIXEGGR-IBGZPJMESA-N 0 0 453.764 4.953 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2Cc2cccs2)c1 ZINC001361027300 1066229416 /nfs/dbraw/zinc/22/94/16/1066229416.db2.gz ATWZSANHBPDSLC-OAQYLSRUSA-N 0 0 495.693 4.961 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)c(F)cc1F ZINC001442836941 1066229787 /nfs/dbraw/zinc/22/97/87/1066229787.db2.gz JKQWIHSZGHETTO-UHFFFAOYSA-N 0 0 451.520 4.801 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361027366 1066229714 /nfs/dbraw/zinc/22/97/14/1066229714.db2.gz BRIXHOILEWPLNG-QUCCMNQESA-N 0 0 464.532 4.724 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)c(F)cc1F ZINC001442839832 1066229873 /nfs/dbraw/zinc/22/98/73/1066229873.db2.gz OCTVYUSBNQZSNZ-UHFFFAOYSA-N 0 0 451.520 4.801 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](c2ccncc2)C2CCCCC2)c(F)cc1F ZINC001442839944 1066230218 /nfs/dbraw/zinc/23/02/18/1066230218.db2.gz PLZXOXQZVTVPSW-OAQYLSRUSA-N 0 0 451.539 4.814 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361027702 1066230430 /nfs/dbraw/zinc/23/04/30/1066230430.db2.gz RFAOJJFAOHFPSF-MSOLQXFVSA-N 0 0 472.527 4.873 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](CCOC)C2)O1 ZINC001546057027 1066230655 /nfs/dbraw/zinc/23/06/55/1066230655.db2.gz NCNVBQZFHDLYDF-POGFHVCPSA-N 0 0 456.631 4.684 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001453991540 1066230711 /nfs/dbraw/zinc/23/07/11/1066230711.db2.gz XMGNIAPJEFAPPC-AOMKIAJQSA-N 0 0 456.533 4.959 20 0 JJADRN CCC(CC)(CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC001453991926 1066230746 /nfs/dbraw/zinc/23/07/46/1066230746.db2.gz YRQSGWNWLRMEFF-UHFFFAOYSA-N 0 0 456.583 4.522 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546057207 1066231264 /nfs/dbraw/zinc/23/12/64/1066231264.db2.gz OTTAXURTYJRQPF-CNISOWAESA-N 0 0 497.684 4.857 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)O1 ZINC001546057125 1066231314 /nfs/dbraw/zinc/23/13/14/1066231314.db2.gz NYFZYJVDTVHNRZ-QFQXNSOFSA-N 0 0 456.631 4.863 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H]2CCSC2)c1 ZINC001361028075 1066231670 /nfs/dbraw/zinc/23/16/70/1066231670.db2.gz GBTAEVYBTPFEBJ-FGZHOGPDSA-N 0 0 499.725 4.604 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001442856984 1066231978 /nfs/dbraw/zinc/23/19/78/1066231978.db2.gz PKMLYMFOSOIQBU-AWEZNQCLSA-N 0 0 453.461 4.656 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2Cc2cccnc2OCC(F)F)c1 ZINC001361028295 1066232532 /nfs/dbraw/zinc/23/25/32/1066232532.db2.gz XUJSQHUWKLDBNJ-MOPGFXCFSA-N 0 0 471.552 4.796 20 0 JJADRN COc1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1OCc1cscn1 ZINC001454002887 1066232813 /nfs/dbraw/zinc/23/28/13/1066232813.db2.gz FSCKZNQXVMIEDY-UHFFFAOYSA-N 0 0 456.539 4.691 20 0 JJADRN COc1ccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(Br)c1 ZINC001454001940 1066232976 /nfs/dbraw/zinc/23/29/76/1066232976.db2.gz DLTAIVQQYKNUKB-UHFFFAOYSA-N 0 0 450.348 4.737 20 0 JJADRN C[C@H](Cc1ccccc1)n1cccc1C(=O)NCCc1ccc(I)cc1 ZINC001454006983 1066233372 /nfs/dbraw/zinc/23/33/72/1066233372.db2.gz LDYSMQUVKRXAAV-QGZVFWFLSA-N 0 0 458.343 4.869 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC(OCc4ccc(F)cc4)CC3)C2)c1 ZINC001454009003 1066233393 /nfs/dbraw/zinc/23/33/93/1066233393.db2.gz VCIMUNUSORULOO-QFIPXVFZSA-N 0 0 452.570 4.503 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCO[C@@H]2CCOC2)c1 ZINC001361028500 1066233411 /nfs/dbraw/zinc/23/34/11/1066233411.db2.gz JZUXZSJCFWTLMV-FGZHOGPDSA-N 0 0 456.631 4.542 20 0 JJADRN O=C(Cc1nnc(-c2ccccc2)o1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC001442866123 1066233441 /nfs/dbraw/zinc/23/34/41/1066233441.db2.gz UGLZWLKXKXPJIH-UHFFFAOYSA-N 0 0 455.337 4.728 20 0 JJADRN C[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C(=O)c1ccccc1 ZINC001442867184 1066233990 /nfs/dbraw/zinc/23/39/90/1066233990.db2.gz QIJDKINETHGFIN-MRXNPFEDSA-N 0 0 457.368 4.535 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001454010210 1066234288 /nfs/dbraw/zinc/23/42/88/1066234288.db2.gz NAMSMSFFNZEARI-OAHLLOKOSA-N 0 0 454.502 4.528 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(OC(C)C)CC2)O1 ZINC001546056694 1066235265 /nfs/dbraw/zinc/23/52/65/1066235265.db2.gz IULWXKRQBKEQMF-JYFHCDHNSA-N 0 0 456.631 4.907 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001442870849 1066235109 /nfs/dbraw/zinc/23/51/09/1066235109.db2.gz DGOVGAHPWRKXTJ-AKWGVZKHSA-N 0 0 450.579 4.999 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C4CC4)C3)n2CCSC(F)(F)F)c1 ZINC001361028910 1066235335 /nfs/dbraw/zinc/23/53/35/1066235335.db2.gz UVOZCPNNJXUGFA-VQIMIIECSA-N 0 0 470.561 4.731 20 0 JJADRN COc1ccccc1/C=C(/C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001442870881 1066235495 /nfs/dbraw/zinc/23/54/95/1066235495.db2.gz DGOVGAHPWRKXTJ-YYTOJMEDSA-N 0 0 450.579 4.999 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N(Cc2cccc(Cl)c2)CC(C)C)c1C ZINC001454018305 1066235828 /nfs/dbraw/zinc/23/58/28/1066235828.db2.gz PYMWYPQLLDNNKP-UHFFFAOYSA-N 0 0 451.032 4.537 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2CCCCC2)c1 ZINC001361029104 1066235928 /nfs/dbraw/zinc/23/59/28/1066235928.db2.gz ZBPYOUQHOIVDRM-HXUWFJFHSA-N 0 0 493.574 4.559 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H]2CC2(C)C)c1 ZINC001361029025 1066236085 /nfs/dbraw/zinc/23/60/85/1066236085.db2.gz XFGZKTIGJMSJEU-JTHBVZDNSA-N 0 0 481.685 4.897 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2CCCCS2)c1 ZINC001361029101 1066236149 /nfs/dbraw/zinc/23/61/49/1066236149.db2.gz ZAJJWEIUSRXBBX-XMMPIXPASA-N 0 0 499.725 4.843 20 0 JJADRN COc1ccc(CCC(=O)N2CCCN(C(=O)c3cc4cccc(Cl)c4s3)CC2)cc1 ZINC001442875328 1066235995 /nfs/dbraw/zinc/23/59/95/1066235995.db2.gz KMSPJBVJOMCQMT-UHFFFAOYSA-N 0 0 456.995 4.871 20 0 JJADRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454021535 1066236536 /nfs/dbraw/zinc/23/65/36/1066236536.db2.gz PQUORSOFCNFPDG-ZDUSSCGKSA-N 0 0 454.374 4.723 20 0 JJADRN Cc1cccc(-c2cncc(C(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)c2)c1 ZINC001361029255 1066236636 /nfs/dbraw/zinc/23/66/36/1066236636.db2.gz DGTJAQNITDZQLE-UHFFFAOYSA-N 0 0 451.530 4.704 20 0 JJADRN C/C(=C\C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1C(F)(F)F ZINC001361029626 1066237467 /nfs/dbraw/zinc/23/74/67/1066237467.db2.gz PFLTXOAPTMXLRH-ZRDIBKRKSA-N 0 0 455.274 4.935 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCCCO2)O1 ZINC001546056772 1066237508 /nfs/dbraw/zinc/23/75/08/1066237508.db2.gz JQGSVNGEJSDIHB-PPJWLVRDSA-N 0 0 456.631 4.827 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC001361030589 1066238077 /nfs/dbraw/zinc/23/80/77/1066238077.db2.gz RTSWMIMSUAYGNT-UHFFFAOYSA-N 0 0 451.331 4.983 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)CSc2ccccc2Br)CCCCC1 ZINC001442911367 1066239400 /nfs/dbraw/zinc/23/94/00/1066239400.db2.gz RSAUWCRKPDEBHY-UHFFFAOYSA-N 0 0 457.434 4.885 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC001454044021 1066239466 /nfs/dbraw/zinc/23/94/66/1066239466.db2.gz UEKLEWDQNAXJKY-ZWKOTPCHSA-N 0 0 467.404 4.644 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)CCc2ccc(Br)cc2)CC1)c1ccccc1 ZINC001442919570 1066240126 /nfs/dbraw/zinc/24/01/26/1066240126.db2.gz FUGKDWIKHNBFEU-QFIPXVFZSA-N 0 0 457.412 4.683 20 0 JJADRN O=C(Nc1cnn(Cc2ccncc2)c1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001442917701 1066240170 /nfs/dbraw/zinc/24/01/70/1066240170.db2.gz OCPFMCNWUCVJEM-UHFFFAOYSA-N 0 0 450.296 4.529 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2cnn(C)c2)O1 ZINC001546057487 1066240310 /nfs/dbraw/zinc/24/03/10/1066240310.db2.gz SPONLLMRJUWARH-HRAATJIYSA-N 0 0 465.385 4.989 20 0 JJADRN CCCc1c(C(=O)N2CCOc3cc(Br)ccc3C2)cnn1-c1cccc(F)c1 ZINC001454046998 1066240501 /nfs/dbraw/zinc/24/05/01/1066240501.db2.gz NTOVTLMEZHTPAV-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)C(F)(F)c2ccccc2OC(C)C)CC1)c1ccccc1 ZINC001442923214 1066241024 /nfs/dbraw/zinc/24/10/24/1066241024.db2.gz LNJJJSIOWTYNPA-NRFANRHFSA-N 0 0 458.549 4.867 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2occc2NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001442921664 1066241073 /nfs/dbraw/zinc/24/10/73/1066241073.db2.gz IRDKAJRIYKTHGI-LJQANCHMSA-N 0 0 455.555 4.541 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1OC ZINC001442925981 1066241750 /nfs/dbraw/zinc/24/17/50/1066241750.db2.gz SNFCUNPTXWMGOB-LJQANCHMSA-N 0 0 453.514 4.622 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361031387 1066241672 /nfs/dbraw/zinc/24/16/72/1066241672.db2.gz QCLFPERIOCWDTM-JPYJTQIMSA-N 0 0 478.515 4.753 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001454060448 1066242073 /nfs/dbraw/zinc/24/20/73/1066242073.db2.gz DQPQYIPSBXKTHG-BCHFMIIMSA-N 0 0 451.567 4.958 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NCC(=O)Nc2cc(Br)ccc2C)cc1 ZINC001442927207 1066242355 /nfs/dbraw/zinc/24/23/55/1066242355.db2.gz XNVZFZYBXJMTTD-UHFFFAOYSA-N 0 0 459.384 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3cc(F)ccc3N3CCCCC3)nc2C1 ZINC001442927618 1066242427 /nfs/dbraw/zinc/24/24/27/1066242427.db2.gz BGYFFMQMBSUZRY-UHFFFAOYSA-N 0 0 454.546 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCCc1ccco1)c1ccc(Br)cc1 ZINC001454068881 1066242771 /nfs/dbraw/zinc/24/27/71/1066242771.db2.gz ZTUBMDHXXHQCPS-NRFANRHFSA-N 0 0 451.361 4.531 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2CCOc2ncccc2F)c1 ZINC001361031609 1066242901 /nfs/dbraw/zinc/24/29/01/1066242901.db2.gz WPLPBWQVVMPMPA-SFHVURJKSA-N 0 0 475.515 4.569 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2)cc1 ZINC001442932963 1066243112 /nfs/dbraw/zinc/24/31/12/1066243112.db2.gz OXDNQUFLNAIEBF-UHFFFAOYSA-N 0 0 451.422 4.859 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)C2)s1 ZINC001454084723 1066243311 /nfs/dbraw/zinc/24/33/11/1066243311.db2.gz FDKUIYZMEANKQF-OAHLLOKOSA-N 0 0 457.939 4.790 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442935566 1066243926 /nfs/dbraw/zinc/24/39/26/1066243926.db2.gz VKBKFPBXVPOTLW-HTAPYJJXSA-N 0 0 451.508 4.869 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)O1 ZINC001546057796 1066243962 /nfs/dbraw/zinc/24/39/62/1066243962.db2.gz XHWHJUNOANFYNS-IQGLISFBSA-N 0 0 460.594 4.738 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)on1 ZINC001454090571 1066244194 /nfs/dbraw/zinc/24/41/94/1066244194.db2.gz LKZZILJKURDWRF-NRFANRHFSA-N 0 0 457.571 4.830 20 0 JJADRN O=C(CC(F)(F)F)N1CCC(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC001442944443 1066244546 /nfs/dbraw/zinc/24/45/46/1066244546.db2.gz WBVHPDOIYAZIIK-FQEVSTJZSA-N 0 0 454.489 4.719 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(F)(F)F)CC2)O1 ZINC001546057952 1066244776 /nfs/dbraw/zinc/24/47/76/1066244776.db2.gz ZCACGSZAEXLGBZ-PXNSSMCTSA-N 0 0 457.566 4.760 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2CCOCC2)c1 ZINC001361032132 1066244831 /nfs/dbraw/zinc/24/48/31/1066244831.db2.gz MCCVRYKBUDVERB-QFIPXVFZSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](C)C2)s1 ZINC001361032166 1066244890 /nfs/dbraw/zinc/24/48/90/1066244890.db2.gz MNUWOVSKNCQLQX-QGZVFWFLSA-N 0 0 454.644 4.893 20 0 JJADRN O=C(Nc1cc(F)c(I)c(F)c1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001442950445 1066244999 /nfs/dbraw/zinc/24/49/99/1066244999.db2.gz FVBSXPHWTFUHHC-ZDUSSCGKSA-N 0 0 458.029 4.548 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C)CC1 ZINC001361032298 1066245732 /nfs/dbraw/zinc/24/57/32/1066245732.db2.gz PVTFOYZJFNNQQI-IBGZPJMESA-N 0 0 479.625 4.822 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)[C@@H]1CCCN(CC(F)F)C1 ZINC001442958083 1066245803 /nfs/dbraw/zinc/24/58/03/1066245803.db2.gz ATPBKPAWALVDNS-CYBMUJFWSA-N 0 0 456.415 4.612 20 0 JJADRN Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(Br)cc(Br)c1N ZINC001442960455 1066246246 /nfs/dbraw/zinc/24/62/46/1066246246.db2.gz OOLPNMWVCWLIRN-UHFFFAOYSA-N 0 0 451.162 4.556 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCCC(C)(C)C)c1 ZINC001361032718 1066246954 /nfs/dbraw/zinc/24/69/54/1066246954.db2.gz UJWFDONUOZQSLS-QFIPXVFZSA-N 0 0 467.658 4.891 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC(C)(C)C(C)C)c1 ZINC001361032824 1066247612 /nfs/dbraw/zinc/24/76/12/1066247612.db2.gz VADPYKFJVYMWHE-QFIPXVFZSA-N 0 0 469.674 4.897 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCCCC3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361032847 1066247651 /nfs/dbraw/zinc/24/76/51/1066247651.db2.gz VDILSPZGYDJLSK-UHFFFAOYSA-N 0 0 453.553 4.739 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001442966733 1066247691 /nfs/dbraw/zinc/24/76/91/1066247691.db2.gz FHNKEJBBATVCLR-FDDCHVKYSA-N 0 0 457.615 4.538 20 0 JJADRN O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001546058112 1066247826 /nfs/dbraw/zinc/24/78/26/1066247826.db2.gz CLMOBEPGHUFFFE-HUUCEWRRSA-N 0 0 453.753 4.680 20 0 JJADRN C[C@H](N1CCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1)C(F)(F)F ZINC001361032987 1066248252 /nfs/dbraw/zinc/24/82/52/1066248252.db2.gz KJGMGRATAVPBIJ-NSHDSACASA-N 0 0 452.329 4.754 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Br)c2C)C1(C)C ZINC001442972918 1066248258 /nfs/dbraw/zinc/24/82/58/1066248258.db2.gz BTNUFAJXIWGJAI-KKSFZXQISA-N 0 0 455.393 4.795 20 0 JJADRN CSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1Br ZINC001454127665 1066248563 /nfs/dbraw/zinc/24/85/63/1066248563.db2.gz YVJVWRWXYQCFPK-UHFFFAOYSA-N 0 0 450.354 4.934 20 0 JJADRN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC001454123079 1066248595 /nfs/dbraw/zinc/24/85/95/1066248595.db2.gz VNBKIGJFDRHQDA-IBGZPJMESA-N 0 0 450.970 4.570 20 0 JJADRN O=C(Cc1ccc(I)cc1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001442975754 1066249117 /nfs/dbraw/zinc/24/91/17/1066249117.db2.gz MUQQELSIIYKZBS-UHFFFAOYSA-N 0 0 454.739 4.590 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H]2CCCCO2)c1 ZINC001361033078 1066249042 /nfs/dbraw/zinc/24/90/42/1066249042.db2.gz XREFRMXPVJVQRK-VQTJNVASSA-N 0 0 482.547 4.591 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001546058193 1066249199 /nfs/dbraw/zinc/24/91/99/1066249199.db2.gz GJGVFLQHNWGQCL-MRXNPFEDSA-N 0 0 452.420 4.528 20 0 JJADRN C[C@@H](C(=O)NCc1nc(-c2ccncc2)cs1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442974933 1066249221 /nfs/dbraw/zinc/24/92/21/1066249221.db2.gz IPMDLHGVFANATP-IERDGZPVSA-N 0 0 452.580 4.723 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033362 1066249631 /nfs/dbraw/zinc/24/96/31/1066249631.db2.gz QKWMZLPLBSVQES-BVZFJXPGSA-N 0 0 451.950 4.965 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)CCCCCNC(=O)OC(C)(C)C)c1 ZINC001442982230 1066249633 /nfs/dbraw/zinc/24/96/33/1066249633.db2.gz GTVHIJVHUKJNCZ-UHFFFAOYSA-N 0 0 455.555 4.971 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033363 1066249680 /nfs/dbraw/zinc/24/96/80/1066249680.db2.gz QKWMZLPLBSVQES-CJAUYULYSA-N 0 0 451.950 4.965 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001442984454 1066249760 /nfs/dbraw/zinc/24/97/60/1066249760.db2.gz CKCNMHIUMFXMNM-KRWDZBQOSA-N 0 0 456.373 4.778 20 0 JJADRN COC(=O)C(C)(C)n1cc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)cn1 ZINC001454147449 1066249927 /nfs/dbraw/zinc/24/99/27/1066249927.db2.gz PKTKPHOFCXUXOW-UHFFFAOYSA-N 0 0 453.442 4.671 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)n1 ZINC001361034417 1066250287 /nfs/dbraw/zinc/25/02/87/1066250287.db2.gz TTWPQOBMBXFIHJ-HXUWFJFHSA-N 0 0 451.617 4.778 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001442984470 1066250614 /nfs/dbraw/zinc/25/06/14/1066250614.db2.gz CKCNMHIUMFXMNM-QGZVFWFLSA-N 0 0 456.373 4.778 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cnn([C@H]2CCCCO2)c1)NC(=O)OC(C)(C)C ZINC001454158407 1066250702 /nfs/dbraw/zinc/25/07/02/1066250702.db2.gz ZIARPMXZXOHEEI-SIKLNZKXSA-N 0 0 458.559 4.576 20 0 JJADRN O=C(Nc1ccc([C@H]2NC(=O)NC2=O)cc1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001454159363 1066250740 /nfs/dbraw/zinc/25/07/40/1066250740.db2.gz LKTNRXAIQHBNRT-CQSZACIVSA-N 0 0 453.829 4.706 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CCCC(C)C)c1 ZINC001361034719 1066250968 /nfs/dbraw/zinc/25/09/68/1066250968.db2.gz BQMKSTBMTCAJQX-UHFFFAOYSA-N 0 0 481.666 4.934 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)c1 ZINC001361034775 1066251002 /nfs/dbraw/zinc/25/10/02/1066251002.db2.gz CSYODKUQBQILNO-GOTSBHOMSA-N 0 0 467.658 4.605 20 0 JJADRN CNC(=O)c1cc(OC)ccc1NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 ZINC001443000341 1066251050 /nfs/dbraw/zinc/25/10/50/1066251050.db2.gz ZCGBGFAPJWNLHN-UHFFFAOYSA-N 0 0 455.536 4.869 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 ZINC001442992088 1066251319 /nfs/dbraw/zinc/25/13/19/1066251319.db2.gz WAWVNHKWEXLZLL-UHFFFAOYSA-N 0 0 451.611 4.790 20 0 JJADRN O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001546058373 1066251240 /nfs/dbraw/zinc/25/12/40/1066251240.db2.gz LJOJAUXQEALCNZ-LJQANCHMSA-N 0 0 453.848 4.561 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cs1 ZINC001361034815 1066251585 /nfs/dbraw/zinc/25/15/85/1066251585.db2.gz DZXRLUOWUOFMFA-IBGZPJMESA-N 0 0 493.599 4.965 20 0 JJADRN O=C([C@@H](O)c1ccccc1C(F)(F)F)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001454184824 1066251947 /nfs/dbraw/zinc/25/19/47/1066251947.db2.gz VCUSOTDFNWCABD-NRFANRHFSA-N 0 0 459.443 4.741 20 0 JJADRN O=C(Nc1cccc(-c2nnsc2Cl)c1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001454189940 1066251970 /nfs/dbraw/zinc/25/19/70/1066251970.db2.gz KSGHJLQWIRODMO-UHFFFAOYSA-N 0 0 453.833 4.728 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC001454183928 1066252028 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/nfs/dbraw/zinc/25/26/64/1066252664.db2.gz OUEIESWZINHFJM-QFIPXVFZSA-N 0 0 450.579 4.777 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361035115 1066252950 /nfs/dbraw/zinc/25/29/50/1066252950.db2.gz QONKIKVTDRRZKA-PWRODBHTSA-N 0 0 479.591 4.983 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1cccc(C(F)(F)F)c1 ZINC001443016595 1066253304 /nfs/dbraw/zinc/25/33/04/1066253304.db2.gz QLBAJVMBXZBIAJ-HXUWFJFHSA-N 0 0 454.514 4.726 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC001454198325 1066253373 /nfs/dbraw/zinc/25/33/73/1066253373.db2.gz SHIILNFNCGWMNH-OAHLLOKOSA-N 0 0 458.393 4.769 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)C(F)(F)F)o1 ZINC001454195732 1066253419 /nfs/dbraw/zinc/25/34/19/1066253419.db2.gz RQBVDUGUNYBVDR-OPAMFIHVSA-N 0 0 453.457 4.590 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)s1 ZINC001443018708 1066254132 /nfs/dbraw/zinc/25/41/32/1066254132.db2.gz AZRMKKMUHFDGPU-UHFFFAOYSA-N 0 0 455.005 4.949 20 0 JJADRN Cc1nc2ccccc2c(C)c1C(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001443019186 1066254166 /nfs/dbraw/zinc/25/41/66/1066254166.db2.gz CPNKNFYUDQXCCY-UHFFFAOYSA-N 0 0 459.571 4.925 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1nnc(-c2ccccc2)[nH]1)CC1CCCCC1 ZINC001443019433 1066254228 /nfs/dbraw/zinc/25/42/28/1066254228.db2.gz TWIRVNSHGIUKEE-FQEVSTJZSA-N 0 0 455.603 4.732 20 0 JJADRN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205567 1066254468 /nfs/dbraw/zinc/25/44/68/1066254468.db2.gz PMBDLPNGIZZHAL-WKTRQSJXSA-N 0 0 455.967 4.998 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2[nH]1 ZINC001454213685 1066254800 /nfs/dbraw/zinc/25/48/00/1066254800.db2.gz CSXRSDWAWYLIOZ-GWCFXTLKSA-N 0 0 451.741 4.753 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCCC2CCCC2)c1 ZINC001361036027 1066255123 /nfs/dbraw/zinc/25/51/23/1066255123.db2.gz VRUYRQTYPOYOMB-UHFFFAOYSA-N 0 0 461.601 4.831 20 0 JJADRN Cc1sc(=O)n(CCC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1C ZINC001361037211 1066255219 /nfs/dbraw/zinc/25/52/19/1066255219.db2.gz BTBVJBROKRCDOJ-UHFFFAOYSA-N 0 0 451.430 4.698 20 0 JJADRN CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)COc2ccccc2Br)C1 ZINC001454221770 1066255644 /nfs/dbraw/zinc/25/56/44/1066255644.db2.gz YIBYZEIKBYOBKH-UHFFFAOYSA-N 0 0 454.368 4.625 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545953271 1066255611 /nfs/dbraw/zinc/25/56/11/1066255611.db2.gz VWNHCWUYZPGHSE-QUCCMNQESA-N 0 0 472.634 4.962 20 0 JJADRN CC(C)(C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1cccc(O)c1 ZINC001443023669 1066255620 /nfs/dbraw/zinc/25/56/20/1066255620.db2.gz QNROQLOLVUSIQJ-UHFFFAOYSA-N 0 0 454.324 4.718 20 0 JJADRN CC[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545953270 1066255721 /nfs/dbraw/zinc/25/57/21/1066255721.db2.gz VWNHCWUYZPGHSE-ICSRJNTNSA-N 0 0 472.634 4.962 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC[C@@H](C4CCC4)C3)n2CCSC(F)(F)F)c1 ZINC001361037771 1066255746 /nfs/dbraw/zinc/25/57/46/1066255746.db2.gz ARCJMZJSPVYSDF-IBGZPJMESA-N 0 0 484.588 4.980 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c(Br)c1 ZINC001361037553 1066255957 /nfs/dbraw/zinc/25/59/57/1066255957.db2.gz KIBSLAHONWIEQT-MRXNPFEDSA-N 0 0 451.792 4.965 20 0 JJADRN CCCOc1ccc(OCC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 ZINC001454238369 1066256176 /nfs/dbraw/zinc/25/61/76/1066256176.db2.gz DGWCEMKHMZJDSY-UHFFFAOYSA-N 0 0 451.542 4.790 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4cc(C)cc(C)c4)n3CC(C)(C)C(C)C)CCO2)n1 ZINC001361038252 1066256584 /nfs/dbraw/zinc/25/65/84/1066256584.db2.gz GOXGMNSJJCUCPX-RUZDIDTESA-N 0 0 494.684 4.875 20 0 JJADRN Cn1cc([C@H]2N(C(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)CC2(C)C)cn1 ZINC001454243344 1066256862 /nfs/dbraw/zinc/25/68/62/1066256862.db2.gz FGOOBUCQQCJPSY-LEWJYISDSA-N 0 0 454.368 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001443050218 1066258051 /nfs/dbraw/zinc/25/80/51/1066258051.db2.gz YTIVHCJFYXEIHD-YTFSRNRJSA-N 0 0 454.542 4.524 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(Br)c2F)cc1 ZINC001454250526 1066258396 /nfs/dbraw/zinc/25/83/96/1066258396.db2.gz XHYDGZDRYLGKFJ-SFHVURJKSA-N 0 0 450.352 4.749 20 0 JJADRN CCO[C@H](C)c1ncc(C(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)s1 ZINC001454251913 1066258604 /nfs/dbraw/zinc/25/86/04/1066258604.db2.gz KSOBXZJUKNTGNF-MRXNPFEDSA-N 0 0 452.580 4.726 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC2CCOCC2)c1 ZINC001361038963 1066258894 /nfs/dbraw/zinc/25/88/94/1066258894.db2.gz UHCBJZTVGBFGSS-NRFANRHFSA-N 0 0 456.631 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(Br)cc4[nH]cnc43)ccc21 ZINC001443052868 1066258844 /nfs/dbraw/zinc/25/88/44/1066258844.db2.gz VNSQCDJGVMVQMZ-UHFFFAOYSA-N 0 0 457.328 4.875 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCC(Oc4c(OC)cccc4OC)CC3)nnc2C(C)(C)C)O1 ZINC001546059049 1066259172 /nfs/dbraw/zinc/25/91/72/1066259172.db2.gz DRGFWIUEOPKLEM-CCLHPLFOSA-N 0 0 486.657 4.988 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(N3CCC(Oc4c(OC)cccc4OC)CC3)nnc2C(C)(C)C)O1 ZINC001546059050 1066259246 /nfs/dbraw/zinc/25/92/46/1066259246.db2.gz DRGFWIUEOPKLEM-DCFHFQCYSA-N 0 0 486.657 4.988 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCCC(C)(C)C)c1 ZINC001361039134 1066259908 /nfs/dbraw/zinc/25/99/08/1066259908.db2.gz YIGIKPJAIXPFRA-PKTZIBPZSA-N 0 0 456.631 4.684 20 0 JJADRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cc(Br)c(F)cc1N)c1ccccc1 ZINC001443054838 1066259715 /nfs/dbraw/zinc/25/97/15/1066259715.db2.gz PRLSYZAFZRHUGE-ZDUSSCGKSA-N 0 0 456.315 4.914 20 0 JJADRN CCCc1c(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001454264273 1066259806 /nfs/dbraw/zinc/25/98/06/1066259806.db2.gz KXXXLLACDRUPJZ-QFIPXVFZSA-N 0 0 452.002 4.783 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)c2nc(Br)sc2Cl)CCCCC1 ZINC001454265524 1066259879 /nfs/dbraw/zinc/25/98/79/1066259879.db2.gz ZKYKSFMZVQIEOD-UHFFFAOYSA-N 0 0 452.802 4.516 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCCC(C)(C)C)c1 ZINC001361039132 1066259930 /nfs/dbraw/zinc/25/99/30/1066259930.db2.gz YIGIKPJAIXPFRA-DHIUTWEWSA-N 0 0 456.631 4.684 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NCC[C@H]1CCCS1 ZINC001454264542 1066260136 /nfs/dbraw/zinc/26/01/36/1066260136.db2.gz QOMRDNFGOLNHSZ-OAHLLOKOSA-N 0 0 453.427 4.707 20 0 JJADRN Nc1ccc(Cl)cc1C(=O)Nc1cc(Br)cc(I)c1 ZINC001454268868 1066260578 /nfs/dbraw/zinc/26/05/78/1066260578.db2.gz OJUFABRNIGWDPB-UHFFFAOYSA-N 0 0 451.489 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361039378 1066260648 /nfs/dbraw/zinc/26/06/48/1066260648.db2.gz GBTJXNYQNKWFAD-HJNYFJLDSA-N 0 0 489.636 4.817 20 0 JJADRN CCOc1cc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O ZINC001454266732 1066260820 /nfs/dbraw/zinc/26/08/20/1066260820.db2.gz LJXPYYICIGLTHY-HSZRJFAPSA-N 0 0 451.950 4.985 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001454267226 1066260842 /nfs/dbraw/zinc/26/08/42/1066260842.db2.gz IYNYHDJTTDZXHZ-HNNXBMFYSA-N 0 0 457.543 4.948 20 0 JJADRN C[C@H](O)[C@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(C(C)(C)C)cc1 ZINC001454267967 1066261226 /nfs/dbraw/zinc/26/12/26/1066261226.db2.gz PUOAWNAYTRGFPH-YRTLSLTISA-N 0 0 458.602 4.881 20 0 JJADRN CCC1(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CCN(C(=O)c2ccccc2)CC1 ZINC001454268320 1066261555 /nfs/dbraw/zinc/26/15/55/1066261555.db2.gz LKLYHAQEZDLVBQ-UHFFFAOYSA-N 0 0 452.551 4.619 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C1 ZINC001443060748 1066261825 /nfs/dbraw/zinc/26/18/25/1066261825.db2.gz SGOXRDNKFMEWAG-GOSISDBHSA-N 0 0 458.986 4.625 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](CC)Cc3ccccc3)c2)cc1 ZINC001443060609 1066261887 /nfs/dbraw/zinc/26/18/87/1066261887.db2.gz BSZIRPMJFLGNFX-OAQYLSRUSA-N 0 0 452.576 4.637 20 0 JJADRN Cc1ccc(I)c(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)c1 ZINC001454270550 1066262027 /nfs/dbraw/zinc/26/20/27/1066262027.db2.gz YVCKBIVEKHGVPJ-UHFFFAOYSA-N 0 0 453.276 4.513 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CC1=O ZINC001454270534 1066262180 /nfs/dbraw/zinc/26/21/80/1066262180.db2.gz YSMYXJPSOQBLKU-DLBZAZTESA-N 0 0 452.551 4.853 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3([C@H]4CCCCO4)CCC3)ccc2C)c1 ZINC001454271726 1066262210 /nfs/dbraw/zinc/26/22/10/1066262210.db2.gz XOXPZTIHVVXLGK-HSZRJFAPSA-N 0 0 456.608 4.573 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CC1=O ZINC001454270538 1066262228 /nfs/dbraw/zinc/26/22/28/1066262228.db2.gz YSMYXJPSOQBLKU-IAGOWNOFSA-N 0 0 452.551 4.853 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361039881 1066262443 /nfs/dbraw/zinc/26/24/43/1066262443.db2.gz YCNUDTIKHVTBLH-KRWDZBQOSA-N 0 0 477.556 4.878 20 0 JJADRN CN(C(=O)C1(c2cccc(Cl)c2)CCOCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361040234 1066262984 /nfs/dbraw/zinc/26/29/84/1066262984.db2.gz OAOTVWWXWPJUMG-UHFFFAOYSA-N 0 0 451.007 4.683 20 0 JJADRN COC(CNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)(OC)c1ccccc1 ZINC001454276019 1066263133 /nfs/dbraw/zinc/26/31/33/1066263133.db2.gz VOQDLGSURBWWDS-UHFFFAOYSA-N 0 0 452.576 4.999 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361040078 1066263072 /nfs/dbraw/zinc/26/30/72/1066263072.db2.gz GZMFUFDEOHMCHM-UHFFFAOYSA-N 0 0 455.393 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)C1 ZINC001443084457 1066263186 /nfs/dbraw/zinc/26/31/86/1066263186.db2.gz FQRXGBGYYCMVKJ-SJLPKXTDSA-N 0 0 453.421 4.970 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)ccc1F ZINC001443080059 1066263365 /nfs/dbraw/zinc/26/33/65/1066263365.db2.gz YAQQNOQIFILSRR-FQEVSTJZSA-N 0 0 452.979 4.772 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnc(Cl)c(Br)c1)c1ccc(C(C)(C)C)cc1 ZINC001361041278 1066263709 /nfs/dbraw/zinc/26/37/09/1066263709.db2.gz UTPAAVMUISVKAA-MRXNPFEDSA-N 0 0 453.764 4.829 20 0 JJADRN CN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001454278034 1066263590 /nfs/dbraw/zinc/26/35/90/1066263590.db2.gz PBETWXVGRLWORY-UHFFFAOYSA-N 0 0 454.523 4.821 20 0 JJADRN Cc1cc2c(NC(=O)Cc3ccc(OCc4ccncc4)cc3)n[nH]c2c(Br)c1 ZINC001454277536 1066263665 /nfs/dbraw/zinc/26/36/65/1066263665.db2.gz OUUYHDYLYIEBIN-UHFFFAOYSA-N 0 0 451.324 4.789 20 0 JJADRN O=C(CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)c1ccc(F)cc1Cl ZINC001454277889 1066263803 /nfs/dbraw/zinc/26/38/03/1066263803.db2.gz RZMSJBNMLHLRHL-UHFFFAOYSA-N 0 0 456.926 4.894 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)N(C)c3ccc(NC(=O)OC(C)(C)C)cc3)CCC2=O)c1 ZINC001454277332 1066263840 /nfs/dbraw/zinc/26/38/40/1066263840.db2.gz KQZXVDDHZQDUCH-UHFFFAOYSA-N 0 0 450.539 4.796 20 0 JJADRN CC(C)Oc1ccc(F)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001443086474 1066264115 /nfs/dbraw/zinc/26/41/15/1066264115.db2.gz HLFJGWFYFKCZBV-OZOXKJRCSA-N 0 0 450.551 4.746 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC2CC2)c1 ZINC001361041558 1066264311 /nfs/dbraw/zinc/26/43/11/1066264311.db2.gz CENDSCCVVJNXPY-HSZRJFAPSA-N 0 0 499.656 4.519 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)O1 ZINC001546059356 1066264342 /nfs/dbraw/zinc/26/43/42/1066264342.db2.gz IXMOUPMNGNBKGS-GTPNXJITSA-N 0 0 491.677 4.702 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC(N)=O)c1 ZINC001361041531 1066264390 /nfs/dbraw/zinc/26/43/90/1066264390.db2.gz BLMPFBLGTJHRTQ-QFBILLFUSA-N 0 0 481.666 4.527 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc4ccc(Br)cc4c3)CC2)cc1 ZINC001443089729 1066264585 /nfs/dbraw/zinc/26/45/85/1066264585.db2.gz NJWQKQGRZMNRNR-UHFFFAOYSA-N 0 0 451.364 4.945 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001443088363 1066264602 /nfs/dbraw/zinc/26/46/02/1066264602.db2.gz HMHORLOWYOHBOR-QHCPKHFHSA-N 0 0 454.636 4.934 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001443088881 1066264871 /nfs/dbraw/zinc/26/48/71/1066264871.db2.gz KQJJOCXWWUQSFJ-UHFFFAOYSA-N 0 0 451.479 4.974 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N[C@H](C)[C@@H](OC)c3ccccc3Cl)nnc2[C@H]2CCOC2)O1 ZINC001546059411 1066264980 /nfs/dbraw/zinc/26/49/80/1066264980.db2.gz JWMORFNKVAGEGY-WUMBMPIFSA-N 0 0 463.022 4.971 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001361041843 1066265030 /nfs/dbraw/zinc/26/50/30/1066265030.db2.gz KPLYAIFZZRDTRT-REWPJTCUSA-N 0 0 483.657 4.981 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546059452 1066265587 /nfs/dbraw/zinc/26/55/87/1066265587.db2.gz KIWOPWGXHHOQHB-ZWLJGRDVSA-N 0 0 487.645 4.934 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)NC(=O)OC(C)(C)C ZINC001545954346 1066266687 /nfs/dbraw/zinc/26/66/87/1066266687.db2.gz CNXUMVREWBXFAS-QZTJIDSGSA-N 0 0 474.675 4.609 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC[C@@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361042769 1066266663 /nfs/dbraw/zinc/26/66/63/1066266663.db2.gz PDHFIXZCHVLIPQ-KCWPFWIISA-N 0 0 470.658 4.887 20 0 JJADRN O=C(Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccc(Oc2ccccc2)o1 ZINC001454302850 1066267246 /nfs/dbraw/zinc/26/72/46/1066267246.db2.gz RQJAFLLNYAVSDS-HNNXBMFYSA-N 0 0 457.324 4.905 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361043018 1066267513 /nfs/dbraw/zinc/26/75/13/1066267513.db2.gz YHFMWVBWGKNGBR-HXUWFJFHSA-N 0 0 471.646 4.765 20 0 JJADRN COc1ccccc1C[C@@](C)(CO)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001454308028 1066267927 /nfs/dbraw/zinc/26/79/27/1066267927.db2.gz XIGHUAOPXOVAAP-NRFANRHFSA-N 0 0 450.482 4.561 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)n1 ZINC001361044796 1066268145 /nfs/dbraw/zinc/26/81/45/1066268145.db2.gz FMFJQLGHLMXCHV-FGZHOGPDSA-N 0 0 497.732 4.830 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N(C)Cc3ccccc3C)nnc2[C@@]2(OC(C)C)CCOC2)O1 ZINC001546059613 1066268063 /nfs/dbraw/zinc/26/80/63/1066268063.db2.gz MTXOUZQLCANGSH-HDYLNDSGSA-N 0 0 456.631 4.611 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC001454310424 1066268862 /nfs/dbraw/zinc/26/88/62/1066268862.db2.gz ONTSTSXWWJFWOB-QHCPKHFHSA-N 0 0 457.368 4.951 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045138 1066269284 /nfs/dbraw/zinc/26/92/84/1066269284.db2.gz OMWDNBNZAWNOGN-PKOBYXMFSA-N 0 0 496.681 4.904 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)N1CCCN(Cc2cscn2)CC1 ZINC001443105883 1066269570 /nfs/dbraw/zinc/26/95/70/1066269570.db2.gz DKHGQBBERLQJPC-UHFFFAOYSA-N 0 0 456.011 4.653 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)O[C@H](C)C2 ZINC001443105491 1066269662 /nfs/dbraw/zinc/26/96/62/1066269662.db2.gz WXHWJNOCTWIOHM-CQSZACIVSA-N 0 0 459.974 4.912 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCCN(C(=O)CCc4ccccc4)CC3)nnc2C(C)(C)C)O1 ZINC001546059700 1066269724 /nfs/dbraw/zinc/26/97/24/1066269724.db2.gz ONKGPZXQGHAAIC-QDPGVEIFSA-N 0 0 481.685 4.595 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2=CCCCC2)c2ccccc2n1 ZINC001361045323 1066269961 /nfs/dbraw/zinc/26/99/61/1066269961.db2.gz TYZVQLHLHOHHAR-RTBURBONSA-N 0 0 467.639 4.560 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545954561 1066270769 /nfs/dbraw/zinc/27/07/69/1066270769.db2.gz GZEMGDREVMGIQZ-CEMLEFRQSA-N 0 0 471.646 4.596 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)O1 ZINC001546060015 1066270828 /nfs/dbraw/zinc/27/08/28/1066270828.db2.gz UIFWOGPBDLGDLJ-CKEIUWERSA-N 0 0 470.458 4.798 20 0 JJADRN O=C(Nc1ccc(Br)c(I)c1)c1c[nH]c2cccc(F)c21 ZINC001443123320 1066270982 /nfs/dbraw/zinc/27/09/82/1066270982.db2.gz UHQJCYWWGFTXHD-UHFFFAOYSA-N 0 0 459.056 4.926 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545954564 1066270999 /nfs/dbraw/zinc/27/09/99/1066270999.db2.gz GZEMGDREVMGIQZ-NNWRFLSQSA-N 0 0 471.646 4.596 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)[C@H]3C[C@H]3CNC(=O)OC(C)(C)C)cc2)cc1 ZINC001443127596 1066271522 /nfs/dbraw/zinc/27/15/22/1066271522.db2.gz FCQLETROUZZJGT-UCFCWBNQSA-N 0 0 452.595 4.782 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CCNC(=O)C(C)(C)C)c2ccccc2n1 ZINC001361045739 1066271634 /nfs/dbraw/zinc/27/16/34/1066271634.db2.gz HZMRCMXKJITIOJ-QGZVFWFLSA-N 0 0 491.665 4.660 20 0 JJADRN NC(=O)CCSc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC001443133821 1066272341 /nfs/dbraw/zinc/27/23/41/1066272341.db2.gz HZPJAIFPKKLKBQ-UHFFFAOYSA-N 0 0 452.761 4.804 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2Cc2ncccc2N(C)C)c2ccccc2n1 ZINC001361045866 1066272335 /nfs/dbraw/zinc/27/23/35/1066272335.db2.gz MGWCTOKWOZHLCE-UHFFFAOYSA-N 0 0 469.515 4.700 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c2ccccc2n1 ZINC001361045871 1066272356 /nfs/dbraw/zinc/27/23/56/1066272356.db2.gz MMEVGDRBEYPXHD-CPJSRVTESA-N 0 0 492.668 4.604 20 0 JJADRN CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(F)c1F ZINC001454342545 1066273184 /nfs/dbraw/zinc/27/31/84/1066273184.db2.gz QIHWCTPLBVVKGS-UHFFFAOYSA-N 0 0 450.485 4.898 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCCC2(CC2)CC1)c1ccc(Br)cc1 ZINC001454345862 1066273839 /nfs/dbraw/zinc/27/38/39/1066273839.db2.gz LIBNSZCIBAHASF-NRFANRHFSA-N 0 0 451.405 4.982 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)O1 ZINC001546060305 1066273898 /nfs/dbraw/zinc/27/38/98/1066273898.db2.gz XXYSNRXNVKKUNP-SYEQPEDASA-N 0 0 497.631 4.878 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)O1 ZINC001546060190 1066273948 /nfs/dbraw/zinc/27/39/48/1066273948.db2.gz WOAJEDISBOVIRQ-XSCAQNHYSA-N 0 0 488.595 4.700 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCC(C)C)C1 ZINC001546060408 1066274487 /nfs/dbraw/zinc/27/44/87/1066274487.db2.gz ZOANMUWVMOPUGT-UIOOFZCWSA-N 0 0 455.647 4.961 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)CCC(C)C)C1 ZINC001546060405 1066274538 /nfs/dbraw/zinc/27/45/38/1066274538.db2.gz ZOANMUWVMOPUGT-CLJLJLNGSA-N 0 0 455.647 4.961 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)O1 ZINC001546060374 1066274553 /nfs/dbraw/zinc/27/45/53/1066274553.db2.gz ZCBNSPGJDGYLCH-KKSFZXQISA-N 0 0 475.391 4.541 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cc(F)ccc1Br ZINC001361046311 1066275192 /nfs/dbraw/zinc/27/51/92/1066275192.db2.gz BSXVDRXQQIGLAY-KSSFIOAISA-N 0 0 457.384 4.815 20 0 JJADRN Cn1c(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454359957 1066275231 /nfs/dbraw/zinc/27/52/31/1066275231.db2.gz DYLMNGWXPUBGLQ-SIKLNZKXSA-N 0 0 453.583 4.823 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001361046598 1066275717 /nfs/dbraw/zinc/27/57/17/1066275717.db2.gz HXJDCUPWGBHZQF-PBHICJAKSA-N 0 0 457.384 4.815 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2)n1 ZINC001454368139 1066275723 /nfs/dbraw/zinc/27/57/23/1066275723.db2.gz DZORJNMUUJOHCH-MHZLTWQESA-N 0 0 454.574 4.964 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001361046726 1066275793 /nfs/dbraw/zinc/27/57/93/1066275793.db2.gz KWTXLWSAYGCGMB-KYNGSXCRSA-N 0 0 451.405 4.773 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001361046724 1066275847 /nfs/dbraw/zinc/27/58/47/1066275847.db2.gz KWTXLWSAYGCGMB-GDIGMMSISA-N 0 0 451.405 4.773 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)N(CCc1ccc(OC)cc1)Cc1ccccc1 ZINC001443163329 1066275884 /nfs/dbraw/zinc/27/58/84/1066275884.db2.gz UHPNBRGKPAFHTC-UHFFFAOYSA-N 0 0 456.542 4.777 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CSc1cccc(Br)c1 ZINC001361046791 1066276327 /nfs/dbraw/zinc/27/63/27/1066276327.db2.gz MBLRLNHGSDLLAF-YOEHRIQHSA-N 0 0 457.434 4.836 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CSc1cccc(Br)c1 ZINC001361046790 1066276502 /nfs/dbraw/zinc/27/65/02/1066276502.db2.gz MBLRLNHGSDLLAF-WMLDXEAASA-N 0 0 457.434 4.836 20 0 JJADRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001361047553 1066276548 /nfs/dbraw/zinc/27/65/48/1066276548.db2.gz FJNBMXCYPRCUIW-MBOZVWFJSA-N 0 0 451.380 4.525 20 0 JJADRN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@]2(CC=CCC2)C1)NC(=O)OC(C)(C)C ZINC001545954960 1066276621 /nfs/dbraw/zinc/27/66/21/1066276621.db2.gz MYEWTVVNFNPWLZ-LZCXECNNSA-N 0 0 491.677 4.632 20 0 JJADRN CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001443169662 1066277273 /nfs/dbraw/zinc/27/72/73/1066277273.db2.gz WHSZWKMMLFVGIR-UHFFFAOYSA-N 0 0 457.530 4.821 20 0 JJADRN CC[C@@H](c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545955087 1066277423 /nfs/dbraw/zinc/27/74/23/1066277423.db2.gz OWVWKJAAABSIDX-FCHUYYIVSA-N 0 0 483.657 4.740 20 0 JJADRN COc1cccc(CN2CCN(C(=O)c3ccccc3SCc3c(C)noc3C)CC2)c1 ZINC001454402823 1066278130 /nfs/dbraw/zinc/27/81/30/1066278130.db2.gz UEPXSAGGTVRBGR-UHFFFAOYSA-N 0 0 451.592 4.550 20 0 JJADRN O=C(c1cccnc1OCc1ccccc1F)N1CC(Cc2cccc(Br)c2)C1 ZINC001454403336 1066278361 /nfs/dbraw/zinc/27/83/61/1066278361.db2.gz QUGOIKFAUVKXNI-UHFFFAOYSA-N 0 0 455.327 4.877 20 0 JJADRN Cc1cc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CC[C@@H](C)C2)c2ccccc2n1 ZINC001361048663 1066278324 /nfs/dbraw/zinc/27/83/24/1066278324.db2.gz FWPOIZJAEZLZBZ-IEBWSBKVSA-N 0 0 491.558 4.616 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC001443193701 1066278470 /nfs/dbraw/zinc/27/84/70/1066278470.db2.gz YCMIXBASNUPDHL-UHFFFAOYSA-N 0 0 458.961 4.761 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545955323 1066278640 /nfs/dbraw/zinc/27/86/40/1066278640.db2.gz SJSODPMNMCZCLD-RPWUZVMVSA-N 0 0 490.652 4.804 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001443200807 1066279012 /nfs/dbraw/zinc/27/90/12/1066279012.db2.gz IRIUFKUMSLZSQL-AVRDEDQJSA-N 0 0 457.452 4.586 20 0 JJADRN O=C(c1ccccc1NCc1ccccc1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001443201816 1066279166 /nfs/dbraw/zinc/27/91/66/1066279166.db2.gz GOXCFYLCXHRNRG-UHFFFAOYSA-N 0 0 451.929 4.689 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4c(F)cccc4Cl)CC3)cc2)cc1 ZINC001443208799 1066279661 /nfs/dbraw/zinc/27/96/61/1066279661.db2.gz RZCMFDIQWSGWPJ-UHFFFAOYSA-N 0 0 450.897 4.557 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCCCCO)n2C[C@](C)(O)C2CCCCC2)c2ccccc2n1 ZINC001361048973 1066279765 /nfs/dbraw/zinc/27/97/65/1066279765.db2.gz OUIBLPSNYVPFPQ-MHZLTWQESA-N 0 0 465.642 4.732 20 0 JJADRN Cc1occc1-c1cc(NC(=O)c2oc3c(cc(Br)cc3C)c2C)n(CCO)n1 ZINC001443211164 1066280272 /nfs/dbraw/zinc/28/02/72/1066280272.db2.gz YJXGYSRFYSBDSD-UHFFFAOYSA-N 0 0 458.312 4.822 20 0 JJADRN Cc1ccccc1C(=O)CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454412947 1066280637 /nfs/dbraw/zinc/28/06/37/1066280637.db2.gz NLTDJKPVFUXREG-UHFFFAOYSA-N 0 0 450.579 4.797 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCC(=O)c1cc(Cl)ccc1F ZINC001454423174 1066280792 /nfs/dbraw/zinc/28/07/92/1066280792.db2.gz LXXRDEDTNWAAIC-UHFFFAOYSA-N 0 0 455.736 4.783 20 0 JJADRN C/C=C\C[C@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001454415006 1066280727 /nfs/dbraw/zinc/28/07/27/1066280727.db2.gz UFMJKQDBZMAJHB-ZRMMWKCHSA-N 0 0 457.294 4.867 20 0 JJADRN C/C=C\C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001454412304 1066280745 /nfs/dbraw/zinc/28/07/45/1066280745.db2.gz NZKRDJBBBXHZBI-IFEGVLKZSA-N 0 0 451.380 4.645 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001454428604 1066281510 /nfs/dbraw/zinc/28/15/10/1066281510.db2.gz CJLZPVWYGARIBR-UHFFFAOYSA-N 0 0 453.892 4.586 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049408 1066281994 /nfs/dbraw/zinc/28/19/94/1066281994.db2.gz CMVLLBJAQXSYFF-UHFFFAOYSA-N 0 0 494.640 4.720 20 0 JJADRN CCn1c(CCNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 ZINC001443228473 1066282774 /nfs/dbraw/zinc/28/27/74/1066282774.db2.gz WJVMPOAQCLDAAR-MBSDFSHPSA-N 0 0 450.583 4.617 20 0 JJADRN Cc1ccc(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c(Sc2ccccc2)c1 ZINC001443238773 1066282976 /nfs/dbraw/zinc/28/29/76/1066282976.db2.gz KGFPWCIHKNKTEW-UHFFFAOYSA-N 0 0 454.636 4.930 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)c1ccc(I)cc1 ZINC001454449801 1066283455 /nfs/dbraw/zinc/28/34/55/1066283455.db2.gz KZIGADMWXNBUMZ-GOEBONIOSA-N 0 0 459.331 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cn2)C1 ZINC001443252784 1066284372 /nfs/dbraw/zinc/28/43/72/1066284372.db2.gz XUUYMVGYUWWQER-NRFANRHFSA-N 0 0 456.562 4.794 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](C)CC3)n2CC[S@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361049997 1066284239 /nfs/dbraw/zinc/28/42/39/1066284239.db2.gz RLMFMSVSJOVLDA-UPTQXZAWSA-N 0 0 453.656 4.975 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc1 ZINC001443254224 1066284905 /nfs/dbraw/zinc/28/49/05/1066284905.db2.gz ODWAMCMEUQFZRZ-MRXNPFEDSA-N 0 0 454.621 4.783 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCOc2ccc(C)c(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051050 1066285591 /nfs/dbraw/zinc/28/55/91/1066285591.db2.gz IOSBATVWWJQFLD-AREMUKBSSA-N 0 0 451.588 4.690 20 0 JJADRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1csc(I)c1Br ZINC001361051692 1066286297 /nfs/dbraw/zinc/28/62/97/1066286297.db2.gz XWTAXUJGGUJUPU-MWLCHTKSSA-N 0 0 454.171 4.814 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001443258697 1066285862 /nfs/dbraw/zinc/28/58/62/1066285862.db2.gz ZFZKKNQOARVAPD-HNNXBMFYSA-N 0 0 452.363 4.759 20 0 JJADRN CC(C)Oc1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1Cl ZINC001454465537 1066286493 /nfs/dbraw/zinc/28/64/93/1066286493.db2.gz MGOACXSHFDGAHG-JQHSSLGASA-N 0 0 451.995 4.676 20 0 JJADRN CCc1c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cnn1-c1ccccc1 ZINC001454465425 1066286666 /nfs/dbraw/zinc/28/66/66/1066286666.db2.gz MEBUVVJAZKKRBN-STZQEDGTSA-N 0 0 452.599 4.589 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546061971 1066287101 /nfs/dbraw/zinc/28/71/01/1066287101.db2.gz IFVUISAZNRKMDH-LNKVDQJUSA-N 0 0 450.624 4.731 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001546061970 1066287325 /nfs/dbraw/zinc/28/73/25/1066287325.db2.gz IFVUISAZNRKMDH-IONWTPBRSA-N 0 0 450.624 4.731 20 0 JJADRN O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cnc(Cl)c(Br)c1 ZINC001443265066 1066287365 /nfs/dbraw/zinc/28/73/65/1066287365.db2.gz KQUPDPKZAXGSAR-UHFFFAOYSA-N 0 0 451.777 4.506 20 0 JJADRN Cc1cc(-c2nnc(N3CCSC(C)(C)C3)n2CC[S@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361052404 1066287760 /nfs/dbraw/zinc/28/77/60/1066287760.db2.gz PQIHOWCESCHKFR-YTTGMZPUSA-N 0 0 471.696 4.681 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)no1 ZINC001361052441 1066287910 /nfs/dbraw/zinc/28/79/10/1066287910.db2.gz QUXSSEZVDBNGLS-QGZVFWFLSA-N 0 0 458.513 4.515 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001443267779 1066288110 /nfs/dbraw/zinc/28/81/10/1066288110.db2.gz VJDXVHXXSPJXIN-UHFFFAOYSA-N 0 0 452.580 4.714 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361053268 1066289018 /nfs/dbraw/zinc/28/90/18/1066289018.db2.gz DDVNDRHNWBWGGO-OZXSUGGESA-N 0 0 456.631 4.613 20 0 JJADRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)cc3)c2)s1 ZINC001443280056 1066289016 /nfs/dbraw/zinc/28/90/16/1066289016.db2.gz JQJLVCUCFBUKQZ-OAHLLOKOSA-N 0 0 450.010 4.987 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001454476577 1066289190 /nfs/dbraw/zinc/28/91/90/1066289190.db2.gz UWFZPVZXPJCDBZ-BMGDILEWSA-N 0 0 455.521 4.901 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1)Oc1cccc(F)c1 ZINC001545956502 1066289184 /nfs/dbraw/zinc/28/91/84/1066289184.db2.gz CTNBBYSZOKYIDZ-IRXDYDNUSA-N 0 0 494.434 4.974 20 0 JJADRN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)cc1 ZINC001443278045 1066289352 /nfs/dbraw/zinc/28/93/52/1066289352.db2.gz AWOFUIHDSLNWMJ-GOSISDBHSA-N 0 0 451.592 4.953 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2ccncc2)no1 ZINC001361054022 1066289743 /nfs/dbraw/zinc/28/97/43/1066289743.db2.gz YXCFVIIJEJXMOT-KRWDZBQOSA-N 0 0 452.946 4.642 20 0 JJADRN O=C(N=c1sccn1Cc1ccccc1Cl)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001443286569 1066289853 /nfs/dbraw/zinc/28/98/53/1066289853.db2.gz HXWNENYMMKCPAM-GOSISDBHSA-N 0 0 454.983 4.623 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)ccc1Br ZINC001454477740 1066289884 /nfs/dbraw/zinc/28/98/84/1066289884.db2.gz WMOBFUDEZMPKMS-KBAYOESNSA-N 0 0 451.405 4.911 20 0 JJADRN Cc1c(I)cc(Br)cc1NC(=O)c1ncc(Cl)s1 ZINC001454478790 1066289902 /nfs/dbraw/zinc/28/99/02/1066289902.db2.gz YZUAIHKZPHGDET-UHFFFAOYSA-N 0 0 457.518 4.724 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001361054349 1066290151 /nfs/dbraw/zinc/29/01/51/1066290151.db2.gz MGTYCYWEYVMHFA-UHFFFAOYSA-N 0 0 458.699 4.706 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1 ZINC001361054144 1066290165 /nfs/dbraw/zinc/29/01/65/1066290165.db2.gz DLPAHNCCWFPWQX-NRFANRHFSA-N 0 0 454.958 4.832 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc(I)c[nH]1 ZINC001443290348 1066290384 /nfs/dbraw/zinc/29/03/84/1066290384.db2.gz KMMSKUJJNKQHCK-UHFFFAOYSA-N 0 0 454.214 4.729 20 0 JJADRN Cc1sc(CC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)nc1-c1ccco1 ZINC001443291676 1066290516 /nfs/dbraw/zinc/29/05/16/1066290516.db2.gz BNBPERIEUWIHKS-UHFFFAOYSA-N 0 0 457.552 4.796 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCN[C@@H](c4cccc(OC)c4)C3)s2)cc1 ZINC001454480097 1066290427 /nfs/dbraw/zinc/29/04/27/1066290427.db2.gz YCVDJECBDSDXIW-JOCHJYFZSA-N 0 0 451.592 4.567 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CCN2)c1 ZINC001454479564 1066290568 /nfs/dbraw/zinc/29/05/68/1066290568.db2.gz WKWNKNRJFBXIDL-ISKFKSNPSA-N 0 0 454.929 4.781 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCc2cccs2)no1 ZINC001361054725 1066290768 /nfs/dbraw/zinc/29/07/68/1066290768.db2.gz CZMHKEPOOZBXQK-UHFFFAOYSA-N 0 0 458.385 4.945 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)COCc2ccccc2)no1 ZINC001361054760 1066290905 /nfs/dbraw/zinc/29/09/05/1066290905.db2.gz DXKXAMMTDLJIFC-INIZCTEOSA-N 0 0 499.413 4.821 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCO[C@H](C)C2)no1 ZINC001361054730 1066290918 /nfs/dbraw/zinc/29/09/18/1066290918.db2.gz DAZOYFIDUCIUKH-NVXWUHKLSA-N 0 0 474.403 4.846 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001443294244 1066291133 /nfs/dbraw/zinc/29/11/33/1066291133.db2.gz KEKKIGFQQUDWJI-ZWKOTPCHSA-N 0 0 477.602 4.612 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC001454489183 1066291245 /nfs/dbraw/zinc/29/12/45/1066291245.db2.gz IZVPWMHURQXELP-NFBKMPQASA-N 0 0 474.395 4.781 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(Cl)cc2)no1 ZINC001361054794 1066291405 /nfs/dbraw/zinc/29/14/05/1066291405.db2.gz GOKLXHBJGQASPU-UHFFFAOYSA-N 0 0 475.778 4.865 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)COCc2ccccc2)no1 ZINC001361054761 1066291465 /nfs/dbraw/zinc/29/14/65/1066291465.db2.gz DXKXAMMTDLJIFC-MRXNPFEDSA-N 0 0 499.413 4.821 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1)c1ccccc1 ZINC001454489854 1066291935 /nfs/dbraw/zinc/29/19/35/1066291935.db2.gz MKOVQADLUQNNMN-DHIUTWEWSA-N 0 0 479.374 4.674 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC001443298496 1066291903 /nfs/dbraw/zinc/29/19/03/1066291903.db2.gz XKDRHZKIIHKQNU-HNNXBMFYSA-N 0 0 450.322 4.597 20 0 JJADRN COc1ccc(CC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1F ZINC001443302645 1066292305 /nfs/dbraw/zinc/29/23/05/1066292305.db2.gz IRDVUJGTIGPQMH-UHFFFAOYSA-N 0 0 451.473 4.745 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2ccc(Br)cn2)CC1 ZINC001443302102 1066292494 /nfs/dbraw/zinc/29/24/94/1066292494.db2.gz IBXOZLZPQVZXAR-UHFFFAOYSA-N 0 0 454.821 4.719 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCCCC2=O)c1 ZINC001361055051 1066292674 /nfs/dbraw/zinc/29/26/74/1066292674.db2.gz PSTQAASAVMUMIM-UHFFFAOYSA-N 0 0 499.457 4.773 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2ccncc2Cl)no1 ZINC001361055049 1066292820 /nfs/dbraw/zinc/29/28/20/1066292820.db2.gz PPKHGCTWTRUXAQ-UHFFFAOYSA-N 0 0 491.752 4.876 20 0 JJADRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@H]2CCCN(CC(F)F)C2)C3)cc1 ZINC001443305729 1066292944 /nfs/dbraw/zinc/29/29/44/1066292944.db2.gz VYJHRRZODWQCIY-LJQANCHMSA-N 0 0 456.537 4.501 20 0 JJADRN CC(C)(C(=O)NCCN1CCOCC1(C)C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001443307742 1066293003 /nfs/dbraw/zinc/29/30/03/1066293003.db2.gz CHTXYQBMLBXXLO-UHFFFAOYSA-N 0 0 456.439 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)C1 ZINC001454498833 1066293131 /nfs/dbraw/zinc/29/31/31/1066293131.db2.gz OLWJBYBNGOPSDZ-CQSZACIVSA-N 0 0 451.354 4.871 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N2CC(Cc3ccccc3Br)C2)o1 ZINC001454500152 1066293824 /nfs/dbraw/zinc/29/38/24/1066293824.db2.gz XUDIEJPMRLKUPT-UHFFFAOYSA-N 0 0 456.336 4.944 20 0 JJADRN O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)[C@H]1CCc2ncncc2C1 ZINC001443314990 1066294301 /nfs/dbraw/zinc/29/43/01/1066294301.db2.gz WYUOMJPFVVICNP-SFHVURJKSA-N 0 0 453.995 4.722 20 0 JJADRN C[C@@]1(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC(c2cccc(Cl)c2F)=NO1 ZINC001454503742 1066294395 /nfs/dbraw/zinc/29/43/95/1066294395.db2.gz ZBFORWNPCPSJGF-NRFANRHFSA-N 0 0 452.288 4.995 20 0 JJADRN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1-n1ccnc1 ZINC001443313744 1066294437 /nfs/dbraw/zinc/29/44/37/1066294437.db2.gz PXJHWSZXEQYMCD-UHFFFAOYSA-N 0 0 456.468 4.690 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)C1 ZINC001546062250 1066294692 /nfs/dbraw/zinc/29/46/92/1066294692.db2.gz NDGGKUURVLJQIU-IQMFZBJNSA-N 0 0 460.504 4.960 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CCc2cccc(OC)c2F)c2ccc(OC)cc2)n1 ZINC001361055941 1066295042 /nfs/dbraw/zinc/29/50/42/1066295042.db2.gz WPEOFMXAEDAGPJ-UHFFFAOYSA-N 0 0 458.511 4.774 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC1)Oc1cccc(F)c1 ZINC001545956986 1066294925 /nfs/dbraw/zinc/29/49/25/1066294925.db2.gz MMKAFGCCFBWOSF-GOSISDBHSA-N 0 0 476.394 4.889 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CC)Oc1ccccc1F ZINC001545956932 1066294934 /nfs/dbraw/zinc/29/49/34/1066294934.db2.gz LLBGCXXMRLFAPO-INIZCTEOSA-N 0 0 464.383 4.889 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)C1 ZINC001546062589 1066295255 /nfs/dbraw/zinc/29/52/55/1066295255.db2.gz UCYJCSPDCDNJFG-HSZRJFAPSA-N 0 0 473.408 4.585 20 0 JJADRN Cc1ccc(C(=O)Nc2cnn(C)c2C2CC2)cc1NC(=O)c1ccc(Br)cc1 ZINC001454523357 1066295700 /nfs/dbraw/zinc/29/57/00/1066295700.db2.gz NEEWXOYLOGQRCG-UHFFFAOYSA-N 0 0 453.340 4.873 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCCC2(C)C)no1 ZINC001361056307 1066295828 /nfs/dbraw/zinc/29/58/28/1066295828.db2.gz LEDKWIXRICYGBN-JOCHJYFZSA-N 0 0 492.393 4.721 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(F)F)no1 ZINC001361056247 1066295843 /nfs/dbraw/zinc/29/58/43/1066295843.db2.gz JFJYVDJLJGVIAT-UHFFFAOYSA-N 0 0 458.282 4.825 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545957088 1066295741 /nfs/dbraw/zinc/29/57/41/1066295741.db2.gz OUUSHACFYIOWFI-QAPCUYQASA-N 0 0 478.435 5.000 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCNC(=O)C(C)C)no1 ZINC001361056245 1066295959 /nfs/dbraw/zinc/29/59/59/1066295959.db2.gz JBTRMCDZZQFSKR-UHFFFAOYSA-N 0 0 496.612 4.908 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(OC)nc2OC)C1 ZINC001546062746 1066295980 /nfs/dbraw/zinc/29/59/80/1066295980.db2.gz WJTRRZWVESMJEW-SSOJOUAXSA-N 0 0 469.561 4.644 20 0 JJADRN O=C(c1cc(O)ccc1C(F)(F)F)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001454524260 1066295998 /nfs/dbraw/zinc/29/59/98/1066295998.db2.gz AEASDKAMQCHZAZ-UHFFFAOYSA-N 0 0 456.258 4.882 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001454526903 1066296359 /nfs/dbraw/zinc/29/63/59/1066296359.db2.gz LMJBJTNUUCHXTD-IBGZPJMESA-N 0 0 457.702 4.922 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)C1 ZINC001546062895 1066296391 /nfs/dbraw/zinc/29/63/91/1066296391.db2.gz YSJXHKOJXQBDTG-KBMIEXCESA-N 0 0 452.603 4.986 20 0 JJADRN Cc1ccc(-c2csc(C(=O)N(C)CC(C)(C)CN3CCOCC3)c2-n2cccc2)cc1 ZINC001546063087 1066296412 /nfs/dbraw/zinc/29/64/12/1066296412.db2.gz FMNGOXKUOCDKPJ-UHFFFAOYSA-N 0 0 451.636 4.945 20 0 JJADRN CC(=O)Nc1cc(Cl)ccc1NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC001443337189 1066296502 /nfs/dbraw/zinc/29/65/02/1066296502.db2.gz RFCSAXYBEVOAGB-UHFFFAOYSA-N 0 0 450.351 4.572 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361056410 1066296411 /nfs/dbraw/zinc/29/64/11/1066296411.db2.gz OVPQTRPDLLOQNW-UHFFFAOYSA-N 0 0 466.939 4.823 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361056350 1066296482 /nfs/dbraw/zinc/29/64/82/1066296482.db2.gz MWFTUEHQYAPFDG-NFBKMPQASA-N 0 0 476.625 4.930 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443338651 1066296704 /nfs/dbraw/zinc/29/67/04/1066296704.db2.gz UDNYTNFELQXNGS-OAQYLSRUSA-N 0 0 455.624 4.553 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Br)n2Cc2c(C)coc2C)no1 ZINC001361056604 1066297108 /nfs/dbraw/zinc/29/71/08/1066297108.db2.gz WFTNIILXRDEXCW-UHFFFAOYSA-N 0 0 456.344 4.899 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@@H](O)C2)no1 ZINC001361056704 1066297231 /nfs/dbraw/zinc/29/72/31/1066297231.db2.gz ZWYBGPRMSWUWGD-WMLDXEAASA-N 0 0 450.370 4.736 20 0 JJADRN O=C(N1CCc2cccc(C(F)(F)F)c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001454536484 1066297332 /nfs/dbraw/zinc/29/73/32/1066297332.db2.gz GNWWDTBNEWDJJF-UHFFFAOYSA-N 0 0 452.270 4.654 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)ccc1Cl ZINC001454538239 1066297396 /nfs/dbraw/zinc/29/73/96/1066297396.db2.gz NXINXLOGHDDQBM-KRWDZBQOSA-N 0 0 452.363 4.654 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361057432 1066297799 /nfs/dbraw/zinc/29/77/99/1066297799.db2.gz JETNXDRAADYJOV-QFIPXVFZSA-N 0 0 476.625 4.932 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001443348257 1066297744 /nfs/dbraw/zinc/29/77/44/1066297744.db2.gz RFELVPNWRGHKGU-UHFFFAOYSA-N 0 0 456.749 4.504 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)[nH]c21 ZINC001443343160 1066297789 /nfs/dbraw/zinc/29/77/89/1066297789.db2.gz JPAVXDIRSSCYJL-UHFFFAOYSA-N 0 0 459.731 4.915 20 0 JJADRN O=C(CNC(=O)c1ccc(OC(F)(F)F)cc1Br)c1ccc(Cl)cc1F ZINC001454544830 1066298534 /nfs/dbraw/zinc/29/85/34/1066298534.db2.gz VKKWULROSRESDQ-UHFFFAOYSA-N 0 0 454.601 4.753 20 0 JJADRN O=C(CNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1cccc(F)c1Cl ZINC001454541705 1066298601 /nfs/dbraw/zinc/29/86/01/1066298601.db2.gz WQPFYFPJQYAWPI-UHFFFAOYSA-N 0 0 457.672 4.966 20 0 JJADRN C[C@H]1CC[C@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CN1C(=O)OC(C)(C)C ZINC001454549780 1066299659 /nfs/dbraw/zinc/29/96/59/1066299659.db2.gz SANMKXUULOPGJH-RDJZCZTQSA-N 0 0 451.995 4.964 20 0 JJADRN C[C@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CN1C(=O)OC(C)(C)C ZINC001454547504 1066299902 /nfs/dbraw/zinc/29/99/02/1066299902.db2.gz HZBYAYAKHKATBO-YOEHRIQHSA-N 0 0 450.004 4.905 20 0 JJADRN C[C@](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)(C1CC1)C(F)(F)F ZINC001361060597 1066300314 /nfs/dbraw/zinc/30/03/14/1066300314.db2.gz ZZSZGJZFDBSWTD-IBGZPJMESA-N 0 0 456.306 4.974 20 0 JJADRN C[C@](O)(C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358083 1066300258 /nfs/dbraw/zinc/30/02/58/1066300258.db2.gz ORGAGDZFQSGGSS-RBBKRZOGSA-N 0 0 454.920 4.737 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545957380 1066300605 /nfs/dbraw/zinc/30/06/05/1066300605.db2.gz UWOOVTWETFFUIZ-PMACEKPBSA-N 0 0 494.640 4.578 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CCC1 ZINC001443357453 1066300846 /nfs/dbraw/zinc/30/08/46/1066300846.db2.gz OJTDKHSNFRZRKG-NHCUHLMSSA-N 0 0 450.023 4.504 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)C1 ZINC001443361906 1066301689 /nfs/dbraw/zinc/30/16/89/1066301689.db2.gz ZHBZSBFZXJOQMH-JDRJUVJTSA-N 0 0 450.535 4.676 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](C)C2)no1 ZINC001361061637 1066301700 /nfs/dbraw/zinc/30/17/00/1066301700.db2.gz QHDAJQQHKZDZMZ-PKOBYXMFSA-N 0 0 472.634 4.762 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)n2)cc1 ZINC001443360857 1066301854 /nfs/dbraw/zinc/30/18/54/1066301854.db2.gz VUVXTUSISHAQAE-KRWDZBQOSA-N 0 0 458.584 4.600 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)no1 ZINC001361063407 1066302307 /nfs/dbraw/zinc/30/23/07/1066302307.db2.gz JVZYTJZJLBZUHO-UHFFFAOYSA-N 0 0 460.582 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 ZINC001454571666 1066302473 /nfs/dbraw/zinc/30/24/73/1066302473.db2.gz LKTQIWHVIDVSMB-HDJSIYSDSA-N 0 0 451.539 4.902 20 0 JJADRN C[C@@](O)(C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001443363392 1066302534 /nfs/dbraw/zinc/30/25/34/1066302534.db2.gz NOUUEIKUBDSMMZ-QHCPKHFHSA-N 0 0 455.436 4.778 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC001454571612 1066302610 /nfs/dbraw/zinc/30/26/10/1066302610.db2.gz IOUZFCBFADEXTE-RUCARUNLSA-N 0 0 458.990 4.919 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001454571756 1066302633 /nfs/dbraw/zinc/30/26/33/1066302633.db2.gz MMYQBYFNXXZXCE-SHTZXODSSA-N 0 0 455.393 4.579 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361063488 1066302746 /nfs/dbraw/zinc/30/27/46/1066302746.db2.gz LEZKQVQSNZNCJV-OAQYLSRUSA-N 0 0 494.640 4.757 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2Cc2ccsc2Br)no1 ZINC001361064111 1066302779 /nfs/dbraw/zinc/30/27/79/1066302779.db2.gz XBYDOCSUANNHMV-UHFFFAOYSA-N 0 0 464.414 4.736 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)C2=O)cc1 ZINC001546063322 1066302963 /nfs/dbraw/zinc/30/29/63/1066302963.db2.gz NKWFCQSVTDSDKR-QFIPXVFZSA-N 0 0 459.512 4.531 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CCN1C(=O)OC(C)(C)C ZINC001443380568 1066303442 /nfs/dbraw/zinc/30/34/42/1066303442.db2.gz UXMFIWZFSWAEMM-SJLPKXTDSA-N 0 0 453.539 4.552 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001443380678 1066303455 /nfs/dbraw/zinc/30/34/55/1066303455.db2.gz AHDWIBHDKGPLCK-UHFFFAOYSA-N 0 0 459.315 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001443381725 1066303476 /nfs/dbraw/zinc/30/34/76/1066303476.db2.gz FATSYVXZFMQVDY-UHFFFAOYSA-N 0 0 451.007 4.542 20 0 JJADRN O=C(c1sc(-c2ccccc2)nc1C(F)F)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001443380789 1066303528 /nfs/dbraw/zinc/30/35/28/1066303528.db2.gz BZBCEVRAEVWFHH-UHFFFAOYSA-N 0 0 459.493 4.875 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccsc3)n2CCCc2ccnc(C(C)(C)C)n2)no1 ZINC001361064461 1066303815 /nfs/dbraw/zinc/30/38/15/1066303815.db2.gz FSYYWVRNRCKYGW-UHFFFAOYSA-N 0 0 465.627 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001443384131 1066303878 /nfs/dbraw/zinc/30/38/78/1066303878.db2.gz FBQNQEIHDKLBFG-IBGZPJMESA-N 0 0 455.603 4.667 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC1(c3ccccc3Cl)CCOCC1)O2 ZINC001443381937 1066304157 /nfs/dbraw/zinc/30/41/57/1066304157.db2.gz HHCJYUWVBNULJT-RUZDIDTESA-N 0 0 457.998 4.919 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)c1ccccc1Cl ZINC001361065260 1066304732 /nfs/dbraw/zinc/30/47/32/1066304732.db2.gz LWOHVAFTESYKQC-IQGLISFBSA-N 0 0 450.966 4.692 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC001361065201 1066304789 /nfs/dbraw/zinc/30/47/89/1066304789.db2.gz JNMAHBUSHJIZHL-HSZRJFAPSA-N 0 0 458.002 4.728 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccccc1Cl ZINC001361065226 1066304937 /nfs/dbraw/zinc/30/49/37/1066304937.db2.gz KGRKABPRTZIXSN-LJQANCHMSA-N 0 0 450.844 4.592 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001454586303 1066305291 /nfs/dbraw/zinc/30/52/91/1066305291.db2.gz IKEXUAWDCKURQT-HOCLYGCPSA-N 0 0 450.004 4.885 20 0 JJADRN Cc1cc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)no1 ZINC001361066396 1066305716 /nfs/dbraw/zinc/30/57/16/1066305716.db2.gz JEXQWLCXXHCAPB-UHFFFAOYSA-N 0 0 484.029 4.666 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)Nc3cccc(C(=O)Nc4ccc(OC)nc4)c3)c12 ZINC001361066185 1066305781 /nfs/dbraw/zinc/30/57/81/1066305781.db2.gz STMULZQNDZLXBI-UHFFFAOYSA-N 0 0 459.506 4.646 20 0 JJADRN COc1ccc2c(c1)CCCN(C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC001443391969 1066305671 /nfs/dbraw/zinc/30/56/71/1066305671.db2.gz SRIZSKBFNMEXGK-NNALFKCQSA-N 0 0 452.982 4.718 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001454590638 1066305809 /nfs/dbraw/zinc/30/58/09/1066305809.db2.gz VGMWHPKBVNYWNG-APWZRJJASA-N 0 0 459.587 4.502 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CC(Oc3ccccc3)C2)CC1 ZINC001443398329 1066305833 /nfs/dbraw/zinc/30/58/33/1066305833.db2.gz MRJMBHATUNYIKB-UHFFFAOYSA-N 0 0 450.579 4.780 20 0 JJADRN CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccc(OC)cc1 ZINC001443404118 1066306234 /nfs/dbraw/zinc/30/62/34/1066306234.db2.gz BMBPJPLOWAGGBN-FQEVSTJZSA-N 0 0 457.514 4.621 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CCCO2)c1 ZINC001361066520 1066306469 /nfs/dbraw/zinc/30/64/69/1066306469.db2.gz LGERXLNLTGGTSI-LVXARBLLSA-N 0 0 469.630 4.864 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)no1 ZINC001361066708 1066306539 /nfs/dbraw/zinc/30/65/39/1066306539.db2.gz PEOLDWBWWDXAHK-JPYJTQIMSA-N 0 0 471.577 4.770 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001443404709 1066306811 /nfs/dbraw/zinc/30/68/11/1066306811.db2.gz GMHBIAJCUHHRQI-OXQOHEQNSA-N 0 0 450.501 4.889 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cnc(C)s2)no1 ZINC001361066813 1066306759 /nfs/dbraw/zinc/30/67/59/1066306759.db2.gz UANLRVFEMFGERX-UHFFFAOYSA-N 0 0 479.393 4.910 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)[C@H]1CCCO1 ZINC001454594528 1066306837 /nfs/dbraw/zinc/30/68/37/1066306837.db2.gz MFHCSEZBRYDPAR-SIXWZSSISA-N 0 0 452.389 4.816 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)no1 ZINC001361066735 1066307050 /nfs/dbraw/zinc/30/70/50/1066307050.db2.gz QJQOISGJMAODHW-OXQOHEQNSA-N 0 0 493.530 4.918 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC001443410895 1066307217 /nfs/dbraw/zinc/30/72/17/1066307217.db2.gz UPGPNRJRKGNTKA-UHFFFAOYSA-N 0 0 450.608 4.804 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443411161 1066307431 /nfs/dbraw/zinc/30/74/31/1066307431.db2.gz DURLVERETICNRA-IBGZPJMESA-N 0 0 452.308 4.628 20 0 JJADRN CCCc1c(C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)[nH]c(C)c1C(=O)OC ZINC001454597740 1066307670 /nfs/dbraw/zinc/30/76/70/1066307670.db2.gz KWLVBTMZXXKDQY-UHFFFAOYSA-N 0 0 452.458 4.852 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC)NC(=O)OC(C)(C)C ZINC001545958310 1066307706 /nfs/dbraw/zinc/30/77/06/1066307706.db2.gz AUFMDSRMGZXPKQ-CQSZACIVSA-N 0 0 470.387 4.606 20 0 JJADRN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3ccccc3Cl)CC2)cs1 ZINC001361067004 1066307890 /nfs/dbraw/zinc/30/78/90/1066307890.db2.gz AQTJGZPJUFDVAX-UHFFFAOYSA-N 0 0 473.046 4.569 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccnc2Cl)c2ccc(Br)cc21 ZINC001454598202 1066307885 /nfs/dbraw/zinc/30/78/85/1066307885.db2.gz XXRFNKHANXNULE-CYBMUJFWSA-N 0 0 451.748 4.973 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cc(-n3ccnn3)ccc2F)c2cc(F)ccc2F)c1 ZINC001361068132 1066308017 /nfs/dbraw/zinc/30/80/17/1066308017.db2.gz IHVWWYWUWHBWIH-JOCHJYFZSA-N 0 0 454.477 4.926 20 0 JJADRN Cc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2ccoc2C)cs1 ZINC001361067522 1066308052 /nfs/dbraw/zinc/30/80/52/1066308052.db2.gz VHWZNUPGGWZJQJ-UHFFFAOYSA-N 0 0 469.998 4.818 20 0 JJADRN Cc1cc(C)c(O)c(NC(=O)c2cc(I)ccc2N2CCCCC2)c1 ZINC001454598238 1066308145 /nfs/dbraw/zinc/30/81/45/1066308145.db2.gz IIDKICWIGQXLBY-UHFFFAOYSA-N 0 0 450.320 4.856 20 0 JJADRN COc1ccc2cc([C@H](C)OC(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)ccc2c1 ZINC001361068565 1066308441 /nfs/dbraw/zinc/30/84/41/1066308441.db2.gz HIBTUUMKKGYQBK-HNNXBMFYSA-N 0 0 459.951 4.960 20 0 JJADRN CCCN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361069088 1066308818 /nfs/dbraw/zinc/30/88/18/1066308818.db2.gz QEEGVQUKKOELQJ-XZOQPEGZSA-N 0 0 457.590 4.671 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnn3ccc(C)cc23)c2ccccc2)cc1Br ZINC001443418468 1066308986 /nfs/dbraw/zinc/30/89/86/1066308986.db2.gz VAQXGNPDKKQDBG-JOCHJYFZSA-N 0 0 450.336 4.933 20 0 JJADRN CCCN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361069082 1066309039 /nfs/dbraw/zinc/30/90/39/1066309039.db2.gz QEEGVQUKKOELQJ-DHIUTWEWSA-N 0 0 457.590 4.671 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cs1 ZINC001361070071 1066309348 /nfs/dbraw/zinc/30/93/48/1066309348.db2.gz BKIYUYZINCGKLL-PMACEKPBSA-N 0 0 499.656 4.964 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCSC[C@H]2C)no1 ZINC001361070131 1066309402 /nfs/dbraw/zinc/30/94/02/1066309402.db2.gz DAYHCZMLWUMTRM-WBVHZDCISA-N 0 0 462.019 4.975 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCSC[C@@H]2C)no1 ZINC001361070130 1066309499 /nfs/dbraw/zinc/30/94/99/1066309499.db2.gz DAYHCZMLWUMTRM-RDJZCZTQSA-N 0 0 462.019 4.975 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H](O)CCc2ccccc2)c2ccccc2)cc1Br ZINC001443418752 1066309539 /nfs/dbraw/zinc/30/95/39/1066309539.db2.gz WLVKPTYZJLWVQO-FYYLOGMGSA-N 0 0 454.364 4.657 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)cs1 ZINC001361070660 1066310244 /nfs/dbraw/zinc/31/02/44/1066310244.db2.gz ROLSVIHYSHAXCR-IBGZPJMESA-N 0 0 487.645 4.522 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C(F)(F)F)C2)no1 ZINC001361070795 1066310522 /nfs/dbraw/zinc/31/05/22/1066310522.db2.gz VGSSHAOLACZQNG-QAPCUYQASA-N 0 0 499.921 4.801 20 0 JJADRN O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC001443434261 1066310555 /nfs/dbraw/zinc/31/05/55/1066310555.db2.gz SPIJKUXQEAXRNU-ROUUACIJSA-N 0 0 454.514 4.500 20 0 JJADRN Cc1cccn2cc(CNC(=O)c3cc(Br)ccc3OCc3ccccc3)nc12 ZINC001443434398 1066310839 /nfs/dbraw/zinc/31/08/39/1066310839.db2.gz VAPYSTZJUITITD-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)no1 ZINC001361070970 1066310847 /nfs/dbraw/zinc/31/08/47/1066310847.db2.gz ZUEZQVJENIIDEZ-ZBFHGGJFSA-N 0 0 456.547 4.598 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCN(C)c2ccccc2)no1 ZINC001361070997 1066310994 /nfs/dbraw/zinc/31/09/94/1066310994.db2.gz AOSAJDYHKDTTDD-UHFFFAOYSA-N 0 0 487.427 4.686 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)CC1 ZINC001492597867 1066311024 /nfs/dbraw/zinc/31/10/24/1066311024.db2.gz HDTIWHXMZYAUOG-UYAOXDASSA-N 0 0 467.639 4.672 20 0 JJADRN Cc1cc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CCNC(=O)C(C)C)ccc1F ZINC001361071186 1066311417 /nfs/dbraw/zinc/31/14/17/1066311417.db2.gz DWWOJSQCSQMLIJ-KRWDZBQOSA-N 0 0 483.657 4.836 20 0 JJADRN Cc1[nH]nc(Br)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC001454627093 1066311308 /nfs/dbraw/zinc/31/13/08/1066311308.db2.gz JKWSCCYAXUSDJQ-UHFFFAOYSA-N 0 0 454.250 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)C(C)(C)C1 ZINC001454630097 1066311730 /nfs/dbraw/zinc/31/17/30/1066311730.db2.gz CQQNFGIIQKOPFU-MRXNPFEDSA-N 0 0 453.505 4.739 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C[S@](C)=O)cc2)C1 ZINC001546063926 1066311957 /nfs/dbraw/zinc/31/19/57/1066311957.db2.gz GAFFSUOUWTWUAB-RCRUUEGKSA-N 0 0 490.471 4.589 20 0 JJADRN Cc1csc(Nc2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC34CCOCC4)cc2)n1 ZINC001443446984 1066312365 /nfs/dbraw/zinc/31/23/65/1066312365.db2.gz CSFIAMNYNOXMCW-SFHVURJKSA-N 0 0 458.584 4.550 20 0 JJADRN CCCn1ccc2ccc(NC(=O)c3cc(Br)cc(S(C)(=O)=O)c3F)cc21 ZINC001361071821 1066312331 /nfs/dbraw/zinc/31/23/31/1066312331.db2.gz PFDDKBZZCUGAPU-UHFFFAOYSA-N 0 0 453.333 4.609 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)no1 ZINC001361072015 1066312553 /nfs/dbraw/zinc/31/25/53/1066312553.db2.gz SUGCYNXYWSDJJQ-ZDUSSCGKSA-N 0 0 459.323 4.717 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C(=O)C(F)(F)F)CC2)no1 ZINC001361071966 1066312586 /nfs/dbraw/zinc/31/25/86/1066312586.db2.gz SIRRPHZZYHYQKK-UHFFFAOYSA-N 0 0 488.297 4.944 20 0 JJADRN COc1cc(OC)c(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)cc1C=O ZINC001454632744 1066312397 /nfs/dbraw/zinc/31/23/97/1066312397.db2.gz GNFSSHMDHPHYQZ-QGZVFWFLSA-N 0 0 452.732 4.910 20 0 JJADRN O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)[C@@H]1COc2ccc(Br)cc21 ZINC001454632531 1066312624 /nfs/dbraw/zinc/31/26/24/1066312624.db2.gz LGTWJXPPYRWDIO-OAHLLOKOSA-N 0 0 453.258 4.784 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cs1 ZINC001361072238 1066313033 /nfs/dbraw/zinc/31/30/33/1066313033.db2.gz ZBJAPGZXBWLSGD-QGZVFWFLSA-N 0 0 464.433 4.705 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)COCc1cccnc1 ZINC001361072804 1066313433 /nfs/dbraw/zinc/31/34/33/1066313433.db2.gz QIGPSXWNZQKIBD-UHFFFAOYSA-N 0 0 457.368 4.830 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001361073084 1066313902 /nfs/dbraw/zinc/31/39/02/1066313902.db2.gz BHBMGZBNUDPYSP-UHFFFAOYSA-N 0 0 469.920 4.760 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](C(F)(F)F)C2)no1 ZINC001361073776 1066314528 /nfs/dbraw/zinc/31/45/28/1066314528.db2.gz PGEBPICUDTZERK-CYBMUJFWSA-N 0 0 470.293 4.831 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)Cc1ccc(O)cc1 ZINC001443463161 1066314744 /nfs/dbraw/zinc/31/47/44/1066314744.db2.gz PDAOCZDRYCYWAV-SXZORUHJSA-N 0 0 455.963 4.796 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1)OC ZINC001545959430 1066314834 /nfs/dbraw/zinc/31/48/34/1066314834.db2.gz VRQDIXXAIBKBIW-IRLDBZIGSA-N 0 0 463.022 4.578 20 0 JJADRN O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC001454652101 1066314839 /nfs/dbraw/zinc/31/48/39/1066314839.db2.gz VZUHIURROJAKNC-LJQANCHMSA-N 0 0 458.274 4.514 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)cc(OC)c2)C1 ZINC001546064148 1066314923 /nfs/dbraw/zinc/31/49/23/1066314923.db2.gz KARXLJUQAOILKQ-OAQYLSRUSA-N 0 0 462.367 4.858 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCc2nnc(C)s2)C1 ZINC001546064151 1066315023 /nfs/dbraw/zinc/31/50/23/1066315023.db2.gz KEWPNXKOLSXRHT-NRFANRHFSA-N 0 0 491.459 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)Cc2c(Cl)cccc2Br)C1 ZINC001454653594 1066315500 /nfs/dbraw/zinc/31/55/00/1066315500.db2.gz CCDQVFBGCWNHFY-CQSZACIVSA-N 0 0 459.812 4.941 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454654551 1066315635 /nfs/dbraw/zinc/31/56/35/1066315635.db2.gz IAJYQKHGQAVOPK-WDYCEAGBSA-N 0 0 451.405 4.943 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001492597903 1066315452 /nfs/dbraw/zinc/31/54/52/1066315452.db2.gz HQHAIHXIKTZUHE-RBUKOAKNSA-N 0 0 467.580 4.715 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC001443473200 1066315715 /nfs/dbraw/zinc/31/57/15/1066315715.db2.gz ZRXFHFVTOWFKPK-GOSISDBHSA-N 0 0 451.939 4.605 20 0 JJADRN COc1ccc(OC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc12 ZINC001361075416 1066315957 /nfs/dbraw/zinc/31/59/57/1066315957.db2.gz DNGHOLULGVQNRA-UHFFFAOYSA-N 0 0 453.560 4.561 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc(Br)cc(N)c1N ZINC001454656588 1066316142 /nfs/dbraw/zinc/31/61/42/1066316142.db2.gz RAFOLVLFDUBESF-MRXNPFEDSA-N 0 0 453.178 4.662 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C(C)C)C2)cs1 ZINC001361076663 1066316689 /nfs/dbraw/zinc/31/66/89/1066316689.db2.gz AAPFXFWUBFXAJO-RTWAWAEBSA-N 0 0 489.686 4.672 20 0 JJADRN C[C@@H]1CCc2nc(C(=O)N(Cc3ccccn3)Cc3ccc(Br)cc3F)cn2C1 ZINC001443482816 1066316879 /nfs/dbraw/zinc/31/68/79/1066316879.db2.gz VXMOLVCBGFDIEK-OAHLLOKOSA-N 0 0 457.347 4.605 20 0 JJADRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)Cc3nc(C(C)C)c(C)s3)n2)cc1 ZINC001443489390 1066317077 /nfs/dbraw/zinc/31/70/77/1066317077.db2.gz HBGJQSCHPUWRQS-UHFFFAOYSA-N 0 0 456.637 4.948 20 0 JJADRN COC(=O)[C@@H](CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1)Cc1cccc(F)c1 ZINC001443487412 1066317196 /nfs/dbraw/zinc/31/71/96/1066317196.db2.gz HDCLIDPCLAXMAA-OAHLLOKOSA-N 0 0 456.341 4.686 20 0 JJADRN Cc1ccc(C)c2sc(NC(=O)c3cnn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3)nc21 ZINC001443489072 1066317223 /nfs/dbraw/zinc/31/72/23/1066317223.db2.gz DBHJBSUZRVVECR-QGZVFWFLSA-N 0 0 455.584 4.934 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545959114 1066317260 /nfs/dbraw/zinc/31/72/60/1066317260.db2.gz PRACWPMGEOBZOT-MRXNPFEDSA-N 0 0 492.443 4.622 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545959193 1066317397 /nfs/dbraw/zinc/31/73/97/1066317397.db2.gz RIZDOBXVKOXPRU-MOPGFXCFSA-N 0 0 478.037 4.763 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@H](O)c4ccccn4)CCC[C@]3(C)[C@@H]2CC1 ZINC001454662083 1066317525 /nfs/dbraw/zinc/31/75/25/1066317525.db2.gz JGYDOFQSMWTWRZ-KVFNMBNESA-N 0 0 452.639 4.727 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2csc(I)n2)cc1 ZINC001361078561 1066318018 /nfs/dbraw/zinc/31/80/18/1066318018.db2.gz FQCGPZMCFNCAPF-UHFFFAOYSA-N 0 0 452.317 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)C1 ZINC001443492358 1066318105 /nfs/dbraw/zinc/31/81/05/1066318105.db2.gz ISSNZXHNCYFHHS-LJQANCHMSA-N 0 0 457.596 4.653 20 0 JJADRN CCc1c(NC(=O)[C@H](C)N2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493740 1066318236 /nfs/dbraw/zinc/31/82/36/1066318236.db2.gz BCISZUCBIFNJFZ-HNNXBMFYSA-N 0 0 453.384 4.787 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cccn2)C1 ZINC001546064310 1066318254 /nfs/dbraw/zinc/31/82/54/1066318254.db2.gz MTQPOXOQURLLRU-OAQYLSRUSA-N 0 0 461.383 4.760 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC001546064269 1066318406 /nfs/dbraw/zinc/31/84/06/1066318406.db2.gz MHNKIXSMCIXODH-KAYWLYCHSA-N 0 0 498.672 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCc3ccc4cccnc4c3)cs2)CC1 ZINC001454671782 1066318497 /nfs/dbraw/zinc/31/84/97/1066318497.db2.gz QURIKRIALFPMRE-UHFFFAOYSA-N 0 0 452.580 4.736 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC001361078927 1066318750 /nfs/dbraw/zinc/31/87/50/1066318750.db2.gz LGEGIWQNPBUITE-OAHLLOKOSA-N 0 0 451.523 4.707 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCC2(F)F)C1 ZINC001546064337 1066318697 /nfs/dbraw/zinc/31/86/97/1066318697.db2.gz NBWIBRDFQBKWLJ-AVRDEDQJSA-N 0 0 466.598 4.801 20 0 JJADRN Cc1cc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2C(F)(F)F)no1 ZINC001361080298 1066319108 /nfs/dbraw/zinc/31/91/08/1066319108.db2.gz CRKIHBDAGPJGAJ-UHFFFAOYSA-N 0 0 462.501 4.634 20 0 JJADRN Cc1cc(Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cs1 ZINC001361080928 1066319523 /nfs/dbraw/zinc/31/95/23/1066319523.db2.gz DKNCCNBLHUIUFT-NRFANRHFSA-N 0 0 465.667 4.565 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Br)o2)ccc1F ZINC001361080554 1066319660 /nfs/dbraw/zinc/31/96/60/1066319660.db2.gz NFZAYDMIGROFKF-UHFFFAOYSA-N 0 0 470.346 4.752 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C2 ZINC001454691217 1066319730 /nfs/dbraw/zinc/31/97/30/1066319730.db2.gz KRFAFGUJWNLMPF-UHFFFAOYSA-N 0 0 451.405 4.727 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)c1 ZINC001454689582 1066320064 /nfs/dbraw/zinc/32/00/64/1066320064.db2.gz KISRIUYJGQCLCC-RUZDIDTESA-N 0 0 458.624 4.555 20 0 JJADRN Cc1cc(Cn2c(CCc3ccccc3)nnc2N2CCCN(CC(F)(F)F)CC2)cs1 ZINC001361081061 1066320286 /nfs/dbraw/zinc/32/02/86/1066320286.db2.gz HJWKDBXEOSRLLG-UHFFFAOYSA-N 0 0 463.573 4.556 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1nc2c(s1)c(Cl)ccc2F ZINC001454692492 1066320375 /nfs/dbraw/zinc/32/03/75/1066320375.db2.gz VHRQCBNLEACGTK-UHFFFAOYSA-N 0 0 454.339 4.928 20 0 JJADRN CCc1ccc(-c2csc(NC(=O)c3ccc(I)cc3N)n2)s1 ZINC001443505177 1066320420 /nfs/dbraw/zinc/32/04/20/1066320420.db2.gz NXBTZHUSYQSLAM-UHFFFAOYSA-N 0 0 455.346 4.873 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)C(F)(F)CC)cc2)cc1 ZINC001454693148 1066320583 /nfs/dbraw/zinc/32/05/83/1066320583.db2.gz VMTCBHJUMFDROZ-UHFFFAOYSA-N 0 0 454.539 4.687 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)c2)cc1 ZINC001454691898 1066320651 /nfs/dbraw/zinc/32/06/51/1066320651.db2.gz WRDAFSDLPUNWJU-DNQXCXABSA-N 0 0 450.560 4.562 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)nc21 ZINC001443506389 1066320618 /nfs/dbraw/zinc/32/06/18/1066320618.db2.gz GIVVIPNOCLHXSE-IBGZPJMESA-N 0 0 457.527 4.917 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)CCCc3ccc(Br)s3)cc2)n1 ZINC001361081308 1066320670 /nfs/dbraw/zinc/32/06/70/1066320670.db2.gz FDYLMHTYBUTUSL-UHFFFAOYSA-N 0 0 451.342 4.963 20 0 JJADRN Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(OC(C)(C)C)CC2)ccc1F ZINC001361081601 1066320686 /nfs/dbraw/zinc/32/06/86/1066320686.db2.gz PWLQXBBQHNSERX-UHFFFAOYSA-N 0 0 485.629 4.549 20 0 JJADRN O=C(CNC(=O)c1cnn(-c2cccc(Br)c2)c1)c1cccc(Cl)c1Cl ZINC001454695810 1066320980 /nfs/dbraw/zinc/32/09/80/1066320980.db2.gz GXVYUZOPLQVOFP-UHFFFAOYSA-N 0 0 453.123 4.554 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(OC)cc2)C1 ZINC001546064585 1066321363 /nfs/dbraw/zinc/32/13/63/1066321363.db2.gz RYARMQOYQCCSJU-HSZRJFAPSA-N 0 0 472.431 4.924 20 0 JJADRN CC1(C(=O)CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CCCC1 ZINC001454695925 1066321619 /nfs/dbraw/zinc/32/16/19/1066321619.db2.gz QIHMJRVJBPNSMK-UHFFFAOYSA-N 0 0 457.368 4.510 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001546064572 1066321675 /nfs/dbraw/zinc/32/16/75/1066321675.db2.gz RTHOTRUZOVQINM-NDKUEENFSA-N 0 0 472.630 4.658 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001546064598 1066321942 /nfs/dbraw/zinc/32/19/42/1066321942.db2.gz SJHROZCPKKWPIM-CVDCTZTESA-N 0 0 467.992 4.581 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)c2ccccc2)no1 ZINC001361083850 1066322036 /nfs/dbraw/zinc/32/20/36/1066322036.db2.gz GVVFYKMRDVFNPJ-RXVVDRJESA-N 0 0 466.586 4.892 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@H](C)[C@H]2C)no1 ZINC001361083555 1066322053 /nfs/dbraw/zinc/32/20/53/1066322053.db2.gz GPSHBMZEJHIEGT-QZTJIDSGSA-N 0 0 455.628 4.830 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2CCOc2ncccc2Cl)C1 ZINC001546064593 1066322018 /nfs/dbraw/zinc/32/20/18/1066322018.db2.gz SGANAIQUCKNJRF-NRFANRHFSA-N 0 0 493.837 4.800 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(SC(F)(F)F)o3)cc2)cc1 ZINC001443519643 1066322306 /nfs/dbraw/zinc/32/23/06/1066322306.db2.gz WSYQFUZBJYXARW-UHFFFAOYSA-N 0 0 458.439 4.584 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)NCC(C)(C)NS(C)(=O)=O)CCC[C@]3(C)[C@H]2CC1 ZINC001443520148 1066322453 /nfs/dbraw/zinc/32/24/53/1066322453.db2.gz QLJKGCZQSIPLKS-KXTAGPOFSA-N 0 0 450.689 4.566 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CC(F)(F)F)CC2)no1 ZINC001361084270 1066322576 /nfs/dbraw/zinc/32/25/76/1066322576.db2.gz QGSXRXIHKNCQRD-CALCHBBNSA-N 0 0 498.550 4.562 20 0 JJADRN C[C@H](CNC(=O)CN(C)c1nc2ccccc2s1)Sc1ccc(Br)cc1 ZINC001443526973 1066322778 /nfs/dbraw/zinc/32/27/78/1066322778.db2.gz CJJHFUNPVVZGQM-CYBMUJFWSA-N 0 0 450.427 4.792 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001454706994 1066323106 /nfs/dbraw/zinc/32/31/06/1066323106.db2.gz IRNVNSIWDMRQFN-IKGGRYGDSA-N 0 0 451.514 4.966 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 ZINC001454707108 1066323191 /nfs/dbraw/zinc/32/31/91/1066323191.db2.gz JUZFTSHUFIIBRT-LSDHHAIUSA-N 0 0 455.502 4.746 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001443530529 1066323228 /nfs/dbraw/zinc/32/32/28/1066323228.db2.gz IGZJIYWGEMQJGL-AEFFLSMTSA-N 0 0 456.612 4.774 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC001361084636 1066323313 /nfs/dbraw/zinc/32/33/13/1066323313.db2.gz 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4.685 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454712632 1066324402 /nfs/dbraw/zinc/32/44/02/1066324402.db2.gz XRLJYWLNGGCNMJ-RBUKOAKNSA-N 0 0 461.603 4.947 20 0 JJADRN CCN1C(=S)N=NC1C1CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 ZINC001443532483 1066324416 /nfs/dbraw/zinc/32/44/16/1066324416.db2.gz GHPDXADKPHZKFI-UHFFFAOYSA-N 0 0 450.395 4.908 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)cc1 ZINC001361086061 1066324615 /nfs/dbraw/zinc/32/46/15/1066324615.db2.gz JBQCOYGURCOEBU-UHFFFAOYSA-N 0 0 458.349 4.669 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC001454714081 1066324624 /nfs/dbraw/zinc/32/46/24/1066324624.db2.gz MVAMUXRVERLVQV-BEFAXECRSA-N 0 0 464.722 4.892 20 0 JJADRN O=C(c1oc2ccccc2c1CSc1ccccc1F)N1CCC(CCO)(CCO)CC1 ZINC001454712850 1066324944 /nfs/dbraw/zinc/32/49/44/1066324944.db2.gz ZIGXYQGXYPLQJV-UHFFFAOYSA-N 0 0 457.567 4.851 20 0 JJADRN O=C(Cc1cccc(I)c1)NCC1(c2c(F)cccc2F)CCCC1 ZINC001361086996 1066325000 /nfs/dbraw/zinc/32/50/00/1066325000.db2.gz XXSRZUPSGRLZCW-UHFFFAOYSA-N 0 0 455.286 4.740 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3cccc4c3CCC4)cc2)s1 ZINC001361086873 1066325230 /nfs/dbraw/zinc/32/52/30/1066325230.db2.gz SRFHKOSRMVCBOZ-UHFFFAOYSA-N 0 0 455.377 4.946 20 0 JJADRN COc1ccc(CC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c(Cl)c1OC ZINC001443533237 1066325463 /nfs/dbraw/zinc/32/54/63/1066325463.db2.gz XWZLHNSLWZUNDQ-LBPRGKRZSA-N 0 0 458.805 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)c2cc(=O)c3ccc(F)cc3o2)c2ccccc21 ZINC001454715694 1066325696 /nfs/dbraw/zinc/32/56/96/1066325696.db2.gz UAKVQPYMAKVZMJ-OAHLLOKOSA-N 0 0 452.482 4.591 20 0 JJADRN CC(C)c1ccc(-c2csc(NC(=O)c3cc(N4CCOCC4)ncn3)n2)c(C(C)C)c1 ZINC001443536246 1066326180 /nfs/dbraw/zinc/32/61/80/1066326180.db2.gz DJBDBYFDIIYYOP-UHFFFAOYSA-N 0 0 451.596 4.936 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CC1(C)C ZINC001361087321 1066326197 /nfs/dbraw/zinc/32/61/97/1066326197.db2.gz GTJGOFWMEJLBCM-LJQANCHMSA-N 0 0 457.022 4.668 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2ccon2)n1CC1(O)CCCCC1 ZINC001361087264 1066326322 /nfs/dbraw/zinc/32/63/22/1066326322.db2.gz FGBUCHJSYQSMST-UHFFFAOYSA-N 0 0 474.005 4.571 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1CC1(N2CCOCC2)CC1 ZINC001361087398 1066326999 /nfs/dbraw/zinc/32/69/99/1066326999.db2.gz JJMPZJUIZVUUIW-UHFFFAOYSA-N 0 0 490.092 4.599 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)cc2)o1 ZINC001443541277 1066327334 /nfs/dbraw/zinc/32/73/34/1066327334.db2.gz PXSGZCFTJUMUHL-UHFFFAOYSA-N 0 0 457.412 4.722 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1Cc1ccco1 ZINC001361087534 1066327193 /nfs/dbraw/zinc/32/71/93/1066327193.db2.gz NHXVNSBERWNOJQ-LJQANCHMSA-N 0 0 458.990 4.756 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC=CCC2)n1CCCNC(=O)OC(C)(C)C ZINC001361087688 1066327367 /nfs/dbraw/zinc/32/73/67/1066327367.db2.gz ANPOXENAIROLET-UHFFFAOYSA-N 0 0 490.048 4.933 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCCC3(CCCCC3)C1)C2 ZINC001443543109 1066327620 /nfs/dbraw/zinc/32/76/20/1066327620.db2.gz XBYOPVIPIXHPJJ-HXUWFJFHSA-N 0 0 458.599 4.943 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)c3ccc(OC(F)F)c(Br)c3)cc2)o1 ZINC001443544562 1066327861 /nfs/dbraw/zinc/32/78/61/1066327861.db2.gz UAQFOMQGDGBIML-UHFFFAOYSA-N 0 0 454.227 4.573 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CSc1nccc2ccccc21 ZINC001454732560 1066327968 /nfs/dbraw/zinc/32/79/68/1066327968.db2.gz AASZOGPGIKHTFN-QGZVFWFLSA-N 0 0 451.375 4.532 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)NCc1cc(F)c(Br)cc1F)c1ccoc1 ZINC001454733827 1066328303 /nfs/dbraw/zinc/32/83/03/1066328303.db2.gz KLEYDENWDNOWGB-UHFFFAOYSA-N 0 0 453.214 4.642 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)ccc1Br ZINC001454733405 1066328479 /nfs/dbraw/zinc/32/84/79/1066328479.db2.gz PVKZIBWWQOQMMQ-HNNXBMFYSA-N 0 0 455.393 4.613 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC(N)=O)CC2)n1CC1(C)CCCC1 ZINC001361088260 1066329504 /nfs/dbraw/zinc/32/95/04/1066329504.db2.gz GVWMVFIYTYMAKS-UHFFFAOYSA-N 0 0 488.076 4.924 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)OCc1ccccc1 ZINC001443571563 1066329774 /nfs/dbraw/zinc/32/97/74/1066329774.db2.gz HVZCYUREQRNMCL-IBGZPJMESA-N 0 0 451.473 4.722 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(N(C)C)c2)C1 ZINC001546064943 1066329953 /nfs/dbraw/zinc/32/99/53/1066329953.db2.gz ZOFZWRRYBVZUCY-HSZRJFAPSA-N 0 0 471.447 4.787 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H]1CCSC1 ZINC001361088197 1066330060 /nfs/dbraw/zinc/33/00/60/1066330060.db2.gz SYQXZSLQMRVDBW-WOJBJXKFSA-N 0 0 479.090 4.867 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)nc1 ZINC001361088293 1066330135 /nfs/dbraw/zinc/33/01/35/1066330135.db2.gz HOUVJHCLJRVJPV-QUCCMNQESA-N 0 0 483.060 4.996 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCCC(=O)N(C)C ZINC001361088290 1066330204 /nfs/dbraw/zinc/33/02/04/1066330204.db2.gz HMULLIRQQOCHKR-UYAOXDASSA-N 0 0 476.065 4.602 20 0 JJADRN CCc1noc2ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(C(C)C)cc3)cc12 ZINC001443577327 1066330481 /nfs/dbraw/zinc/33/04/81/1066330481.db2.gz GRJMLWMZNDCCEV-OAQYLSRUSA-N 0 0 452.555 4.904 20 0 JJADRN CC[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1c(C)nn(C)c1C)OC ZINC001545960286 1066330559 /nfs/dbraw/zinc/33/05/59/1066330559.db2.gz AHEVXZHGQYIEGX-LJQANCHMSA-N 0 0 456.660 4.687 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC[C@@H](C)C2)n1C[C@@]1(O)CCSC1 ZINC001361088351 1066330475 /nfs/dbraw/zinc/33/04/75/1066330475.db2.gz IROGBIWRLYNIHG-KOSHJBKYSA-N 0 0 479.090 4.746 20 0 JJADRN O=C(Nc1cccc(F)c1O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001454759598 1066331035 /nfs/dbraw/zinc/33/10/35/1066331035.db2.gz VWYAPFRWMRZILS-UHFFFAOYSA-N 0 0 454.401 4.603 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CCc1ccccc1C(N)=O ZINC001443578263 1066330989 /nfs/dbraw/zinc/33/09/89/1066330989.db2.gz GCXOGIIWNPAWEA-DRMXPCRNSA-N 0 0 450.579 4.974 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443578954 1066331092 /nfs/dbraw/zinc/33/10/92/1066331092.db2.gz ZYBSZAMVHMAXPO-BPXKWBHBSA-N 0 0 459.537 4.562 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)C ZINC001361088373 1066331272 /nfs/dbraw/zinc/33/12/72/1066331272.db2.gz UPJDBQVJJVCMBS-UHFFFAOYSA-N 0 0 459.038 4.894 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)c3ccc(I)cc3O)c(C)c2c1 ZINC001443579539 1066331726 /nfs/dbraw/zinc/33/17/26/1066331726.db2.gz MXZQJPNKMHDGHB-NSHDSACASA-N 0 0 451.260 4.551 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@H]1COCCO1 ZINC001361088595 1066331946 /nfs/dbraw/zinc/33/19/46/1066331946.db2.gz JSHVBKWKVZMTNC-CTNGQTDRSA-N 0 0 477.049 4.539 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN1CCOCC1(C)C ZINC001361088635 1066332242 /nfs/dbraw/zinc/33/22/42/1066332242.db2.gz KMUVYIHIOBTSLV-FPOVZHCZSA-N 0 0 490.092 4.597 20 0 JJADRN C[C@H]1c2ccc(C(=O)Nc3ccc([C@H](O)C(F)(F)F)cc3)n2CCN1C(=O)OC(C)(C)C ZINC001454767380 1066332277 /nfs/dbraw/zinc/33/22/77/1066332277.db2.gz HKXBOSADNKVDTM-UGSOOPFHSA-N 0 0 453.461 4.648 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)NC(=O)OC(C)(C)C)cc1 ZINC001443584841 1066332278 /nfs/dbraw/zinc/33/22/78/1066332278.db2.gz MMARMFKVLSXCDF-VJBWXMMDSA-N 0 0 453.583 4.665 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)c(C)c2c1 ZINC001443583407 1066332727 /nfs/dbraw/zinc/33/27/27/1066332727.db2.gz WIUQQRYAUKOSHC-GFCCVEGCSA-N 0 0 455.308 4.845 20 0 JJADRN C[C@@H](C(=O)NCc1ccc(OC(F)F)cc1F)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454772845 1066332800 /nfs/dbraw/zinc/33/28/00/1066332800.db2.gz GJBFWCSJOWLQON-AUUYWEPGSA-N 0 0 452.473 4.945 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc2ccccc2C(F)(F)F)cc1 ZINC001443586946 1066333145 /nfs/dbraw/zinc/33/31/45/1066333145.db2.gz QTNPEHHOVXOBIF-IBGZPJMESA-N 0 0 452.473 4.775 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2C(C)C)n1Cc1ccn(C)n1 ZINC001361088954 1066333349 /nfs/dbraw/zinc/33/33/49/1066333349.db2.gz NSLWJGLWKUJWOC-NRFANRHFSA-N 0 0 457.022 4.658 20 0 JJADRN O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001454772403 1066333146 /nfs/dbraw/zinc/33/31/46/1066333146.db2.gz ZMSDWXMFTMHAIH-QGZVFWFLSA-N 0 0 458.274 4.732 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N[C@H](CCc3ccccc3)c3ccccn3)c2)cc1 ZINC001454776346 1066333279 /nfs/dbraw/zinc/33/32/79/1066333279.db2.gz XFKZPZLAOOJDKV-RUZDIDTESA-N 0 0 459.571 4.532 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CNC(=O)OCC(F)(F)F ZINC001443589642 1066333701 /nfs/dbraw/zinc/33/37/01/1066333701.db2.gz VPTCAILRAQSUHU-IIDMSEBBSA-N 0 0 458.477 4.531 20 0 JJADRN CCOC(=O)CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001546065464 1066333899 /nfs/dbraw/zinc/33/38/99/1066333899.db2.gz PHECSULNRABBGK-GOSISDBHSA-N 0 0 458.002 4.990 20 0 JJADRN C[C@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC001443591235 1066333904 /nfs/dbraw/zinc/33/39/04/1066333904.db2.gz OECPZWUVVWIFMP-QFBILLFUSA-N 0 0 452.580 4.518 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1c(Cl)cccc1OC(F)F ZINC001454791502 1066334176 /nfs/dbraw/zinc/33/41/76/1066334176.db2.gz QTOCQEAWRSGGOX-UHFFFAOYSA-N 0 0 459.301 4.856 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1CCOc1ncccc1F ZINC001361089034 1066334175 /nfs/dbraw/zinc/33/41/75/1066334175.db2.gz OZEOOZXSNLMHAG-QGZVFWFLSA-N 0 0 473.980 4.711 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(OCc3ccccc3)nc1)C2 ZINC001454817407 1066334541 /nfs/dbraw/zinc/33/45/41/1066334541.db2.gz PHMXKRNXTZDGAX-QQFNCUIESA-N 0 0 451.567 4.569 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCN(C)c1ccccc1)OC ZINC001545960415 1066334707 /nfs/dbraw/zinc/33/47/07/1066334707.db2.gz CKWDHAIWHTVFIS-KRWDZBQOSA-N 0 0 478.460 4.767 20 0 JJADRN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001546065465 1066334685 /nfs/dbraw/zinc/33/46/85/1066334685.db2.gz PHECSULNRABBGK-SFHVURJKSA-N 0 0 458.002 4.990 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccc(C)n(C)c1=O ZINC001361089222 1066334892 /nfs/dbraw/zinc/33/48/92/1066334892.db2.gz QVHPATVPDJGALW-RXVVDRJESA-N 0 0 498.071 4.932 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)C(C)(C)C ZINC001443597536 1066335245 /nfs/dbraw/zinc/33/52/45/1066335245.db2.gz IDZOFGVCWCEIRB-GOSISDBHSA-N 0 0 458.559 4.794 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccc(F)cc2)cc1 ZINC001361089302 1066335268 /nfs/dbraw/zinc/33/52/68/1066335268.db2.gz YBOSLZFYKOAJMR-UUOWRZLLSA-N 0 0 452.913 4.746 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC(Cc2ccccc2Cl)CC1)C[C@@H]1CCCO1 ZINC001454823356 1066335442 /nfs/dbraw/zinc/33/54/42/1066335442.db2.gz UHOMDPQWAUEHGX-FQEVSTJZSA-N 0 0 451.007 4.537 20 0 JJADRN O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001454828872 1066335878 /nfs/dbraw/zinc/33/58/78/1066335878.db2.gz GIDKHHGOKONESY-HNNXBMFYSA-N 0 0 454.309 4.988 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CCC(=O)NC(C)C ZINC001361089516 1066336264 /nfs/dbraw/zinc/33/62/64/1066336264.db2.gz WIQQKDVBCMIKQX-UYAOXDASSA-N 0 0 476.065 4.791 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC[C@H]2C)n1CCC(=O)NC(C)C ZINC001361089513 1066336395 /nfs/dbraw/zinc/33/63/95/1066336395.db2.gz WIQQKDVBCMIKQX-AZUAARDMSA-N 0 0 476.065 4.791 20 0 JJADRN CCN(C(=O)CCSc1ncnc2[nH]cnc21)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443604421 1066336455 /nfs/dbraw/zinc/33/64/55/1066336455.db2.gz MVYPWDNDOMDAPV-FQEVSTJZSA-N 0 0 452.971 4.522 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2C(C)C)n1CC[C@H]1COCCO1 ZINC001361089494 1066336509 /nfs/dbraw/zinc/33/65/09/1066336509.db2.gz VSVXGJUQIRYZJY-FCHUYYIVSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H]1COCCO1 ZINC001361089541 1066336532 /nfs/dbraw/zinc/33/65/32/1066336532.db2.gz WYFWDVDJHBZZLQ-PZJWPPBQSA-N 0 0 477.049 4.539 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546065870 1066336654 /nfs/dbraw/zinc/33/66/54/1066336654.db2.gz BDVONRCODDJBNK-QMHKHESXSA-N 0 0 463.026 4.875 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC001443605321 1066336694 /nfs/dbraw/zinc/33/66/94/1066336694.db2.gz QEDOGTAWRKUXNW-ZHRRBRCNSA-N 0 0 453.583 4.633 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)c(C)c12 ZINC001454861349 1066336969 /nfs/dbraw/zinc/33/69/69/1066336969.db2.gz XSUKCPMURMEFFI-UHFFFAOYSA-N 0 0 455.002 4.661 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546065869 1066337091 /nfs/dbraw/zinc/33/70/91/1066337091.db2.gz BDVONRCODDJBNK-MWTRTKDXSA-N 0 0 463.026 4.875 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)CC2)n1CCC(=O)NC(C)C ZINC001361089584 1066336901 /nfs/dbraw/zinc/33/69/01/1066336901.db2.gz XYFSKPJYNPIEKU-IBGZPJMESA-N 0 0 476.065 4.793 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CC=CC[C@H]3C(F)(F)F)ccc2C)cc1 ZINC001454877011 1066337649 /nfs/dbraw/zinc/33/76/49/1066337649.db2.gz GACQPSFNUHKQRI-AZUAARDMSA-N 0 0 466.525 4.979 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)COc2ccc(Br)cc2F)c1 ZINC001443615296 1066337883 /nfs/dbraw/zinc/33/78/83/1066337883.db2.gz HXMXIGGIESCAEN-UHFFFAOYSA-N 0 0 453.308 4.630 20 0 JJADRN COc1ccccc1-c1cccc(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC001443617129 1066338305 /nfs/dbraw/zinc/33/83/05/1066338305.db2.gz NQCYMIMHGOXETR-UHFFFAOYSA-N 0 0 453.560 4.954 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001361090467 1066338935 /nfs/dbraw/zinc/33/89/35/1066338935.db2.gz FOXDFYVTQXRXGX-AOUJKTHWSA-N 0 0 479.040 4.987 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC1CCCC1 ZINC001361090765 1066339634 /nfs/dbraw/zinc/33/96/34/1066339634.db2.gz JJSMGPLXNVNLCJ-UHFFFAOYSA-N 0 0 488.076 4.746 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2ccn(C)n2)C1 ZINC001546066166 1066339954 /nfs/dbraw/zinc/33/99/54/1066339954.db2.gz HZZYMECOYKJYRC-NRFANRHFSA-N 0 0 477.838 4.964 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2ccn(C)n2)C1 ZINC001546066167 1066340024 /nfs/dbraw/zinc/34/00/24/1066340024.db2.gz HZZYMECOYKJYRC-OAQYLSRUSA-N 0 0 477.838 4.964 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCn2cc(Cl)cn2)C1 ZINC001546066282 1066340290 /nfs/dbraw/zinc/34/02/90/1066340290.db2.gz KANXRQFWBMQJRY-NRFANRHFSA-N 0 0 493.837 4.893 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001361091179 1066340359 /nfs/dbraw/zinc/34/03/59/1066340359.db2.gz NSAIFENWEZSTQX-GBXCKJPGSA-N 0 0 491.076 4.929 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCc1c[nH]c2ccccc12)OCc1ccccc1 ZINC001443629160 1066340490 /nfs/dbraw/zinc/34/04/90/1066340490.db2.gz GUJQSAQFFXONJZ-SANMLTNESA-N 0 0 455.558 4.754 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCC1(O)CCC1 ZINC001361091043 1066340615 /nfs/dbraw/zinc/34/06/15/1066340615.db2.gz LTUHLTWLLNNPAI-QFIPXVFZSA-N 0 0 491.076 4.808 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC(OC(C)(C)C)CC1)OC ZINC001545960660 1066340824 /nfs/dbraw/zinc/34/08/24/1066340824.db2.gz HRIVQTPOPFFVJP-CQSZACIVSA-N 0 0 471.465 4.978 20 0 JJADRN Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c3cc4cccc(Cl)c4s3)C2)cn1 ZINC001454902075 1066340740 /nfs/dbraw/zinc/34/07/40/1066340740.db2.gz AETWNESUNFYVJJ-HZPDHXFCSA-N 0 0 459.999 4.876 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546066450 1066340902 /nfs/dbraw/zinc/34/09/02/1066340902.db2.gz NXQXMLANYPKFIL-JOCHJYFZSA-N 0 0 460.504 4.632 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)sc2cccc(F)c12 ZINC001454902440 1066340957 /nfs/dbraw/zinc/34/09/57/1066340957.db2.gz BCQLXBKOIQCAAU-CVEARBPZSA-N 0 0 457.571 4.670 20 0 JJADRN Cn1cc(CCNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)c2cccnc21 ZINC001454900682 1066341046 /nfs/dbraw/zinc/34/10/46/1066341046.db2.gz PITIMVBMLZMSNC-RUZDIDTESA-N 0 0 457.574 4.571 20 0 JJADRN CCO[C@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC001361091315 1066341094 /nfs/dbraw/zinc/34/10/94/1066341094.db2.gz PBEPUDNNIZHGNJ-GFCCVEGCSA-N 0 0 454.474 4.511 20 0 JJADRN CCN(CC)c1ccc(N(Cc2cccs2)C(=O)c2cc(N3CCOCC3)ccn2)cc1 ZINC001443635062 1066341452 /nfs/dbraw/zinc/34/14/52/1066341452.db2.gz SVSBNKGMRLYLAC-UHFFFAOYSA-N 0 0 450.608 4.673 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC(C)(C)C ZINC001361091602 1066341706 /nfs/dbraw/zinc/34/17/06/1066341706.db2.gz RGOGFPCSFBXNIG-OYRHEFFESA-N 0 0 463.022 4.639 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1C[C@@](C)(O)c1ccco1 ZINC001361091780 1066341919 /nfs/dbraw/zinc/34/19/19/1066341919.db2.gz UJERAHNPOJNULS-HOYKHHGWSA-N 0 0 491.057 4.694 20 0 JJADRN COc1ccccc1/C=C(\C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918681 1066341965 /nfs/dbraw/zinc/34/19/65/1066341965.db2.gz IOOKHTICOHRWSO-QUCUAOCBSA-N 0 0 456.586 4.561 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(Nc2ccn(C)n2)n1Cc1ccc(Cl)nc1 ZINC001361091825 1066342085 /nfs/dbraw/zinc/34/20/85/1066342085.db2.gz VDJXGSWQHPVMFG-UHFFFAOYSA-N 0 0 472.380 4.825 20 0 JJADRN O=C(CCC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccc(Cl)cc1 ZINC001454920025 1066342312 /nfs/dbraw/zinc/34/23/12/1066342312.db2.gz KYOPXHMPMQOBHS-HNNXBMFYSA-N 0 0 452.860 4.502 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1CC1=CCCOC1 ZINC001361092065 1066342606 /nfs/dbraw/zinc/34/26/06/1066342606.db2.gz ZIKAFANURATWIU-GOSISDBHSA-N 0 0 463.047 4.540 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC(F)(F)F ZINC001361091993 1066342626 /nfs/dbraw/zinc/34/26/26/1066342626.db2.gz XKHUUYSMIHNUCX-HNNXBMFYSA-N 0 0 486.844 4.581 20 0 JJADRN Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001454922928 1066342602 /nfs/dbraw/zinc/34/26/02/1066342602.db2.gz PQGRMHPGUOCZBI-QHCPKHFHSA-N 0 0 450.476 4.815 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(CC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)CC2 ZINC001361092284 1066342863 /nfs/dbraw/zinc/34/28/63/1066342863.db2.gz FATIZTRVJIFJQQ-UHFFFAOYSA-N 0 0 459.610 4.790 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@]1(C)CCCO1 ZINC001361092128 1066342956 /nfs/dbraw/zinc/34/29/56/1066342956.db2.gz ZQEIRFGPOWBWOW-RCZVLFRGSA-N 0 0 477.049 4.682 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001546066617 1066343222 /nfs/dbraw/zinc/34/32/22/1066343222.db2.gz RLPWKMUGTNDRSM-IIMAJNMQSA-N 0 0 495.487 4.644 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1)OC ZINC001545960796 1066343194 /nfs/dbraw/zinc/34/31/94/1066343194.db2.gz JUXPAHJSWBPZKF-YJBOKZPZSA-N 0 0 471.827 4.647 20 0 JJADRN Cc1ccc(C)n1-c1sccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001443641330 1066343208 /nfs/dbraw/zinc/34/32/08/1066343208.db2.gz NITDACXSWWNRBV-UHFFFAOYSA-N 0 0 458.587 4.900 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC001443643484 1066343391 /nfs/dbraw/zinc/34/33/91/1066343391.db2.gz FRVFRRLKRINXSO-LJQANCHMSA-N 0 0 456.612 4.701 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(Cc3cccnc3)n1CCSCC(F)(F)F)CC2 ZINC001361092365 1066343394 /nfs/dbraw/zinc/34/33/94/1066343394.db2.gz HWJSPRCSLIPQMB-UHFFFAOYSA-N 0 0 465.520 4.570 20 0 JJADRN Cc1cc(C(=O)CCC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C)s1 ZINC001454929214 1066343485 /nfs/dbraw/zinc/34/34/85/1066343485.db2.gz ZOUQTJWBBBQMOR-HNNXBMFYSA-N 0 0 452.498 4.527 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001443640608 1066343535 /nfs/dbraw/zinc/34/35/35/1066343535.db2.gz LHXVYGXIHMIJEE-JOCHJYFZSA-N 0 0 454.615 4.696 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cn1 ZINC001443646496 1066343890 /nfs/dbraw/zinc/34/38/90/1066343890.db2.gz LGDVKWOMYMAEMV-UHFFFAOYSA-N 0 0 453.370 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCn4cc(C(F)(F)F)nc43)ccc21 ZINC001361093624 1066344113 /nfs/dbraw/zinc/34/41/13/1066344113.db2.gz NDNJIZKHBQUBAQ-OAHLLOKOSA-N 0 0 450.461 4.716 20 0 JJADRN Cc1ccccc1-c1ccccc1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC001361094373 1066344616 /nfs/dbraw/zinc/34/46/16/1066344616.db2.gz XEIJNNWZAYLUKB-UHFFFAOYSA-N 0 0 451.364 4.974 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001443648571 1066344834 /nfs/dbraw/zinc/34/48/34/1066344834.db2.gz HQFZLEGMAYNSDC-DEOSSOPVSA-N 0 0 452.595 4.915 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001361094743 1066344903 /nfs/dbraw/zinc/34/49/03/1066344903.db2.gz JAXGARVLAXALAL-HXUWFJFHSA-N 0 0 457.638 4.544 20 0 JJADRN COC(C)(C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl ZINC001454948408 1066344955 /nfs/dbraw/zinc/34/49/55/1066344955.db2.gz VJBMBEVNXVGNJI-UHFFFAOYSA-N 0 0 459.395 4.648 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cccnc2OC)C1 ZINC001546066817 1066345224 /nfs/dbraw/zinc/34/52/24/1066345224.db2.gz VQNAAVQWTOAYJJ-QHCPKHFHSA-N 0 0 486.414 4.795 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001361094776 1066345492 /nfs/dbraw/zinc/34/54/92/1066345492.db2.gz KBOZMWOLMMVQBF-QHCPKHFHSA-N 0 0 477.506 4.560 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)C(C)(C)c3ccccc3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454962886 1066345861 /nfs/dbraw/zinc/34/58/61/1066345861.db2.gz CZJXFLWPZLQJOW-JTHBVZDNSA-N 0 0 452.595 4.801 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001361095480 1066345915 /nfs/dbraw/zinc/34/59/15/1066345915.db2.gz JXQJCPHLSSHNSE-LJQANCHMSA-N 0 0 483.592 4.560 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)Cc1cccc(C)c1 ZINC001443665243 1066346208 /nfs/dbraw/zinc/34/62/08/1066346208.db2.gz GDNGNKZONNFZFR-OAHLLOKOSA-N 0 0 458.274 4.538 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)Cc3nnc(N)s3)cc2Cl)c(Br)c1 ZINC001443666226 1066346239 /nfs/dbraw/zinc/34/62/39/1066346239.db2.gz PXNYYASMPUHBJM-UHFFFAOYSA-N 0 0 453.749 4.818 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)c2cccc(I)c2N)c1 ZINC001443668874 1066346721 /nfs/dbraw/zinc/34/67/21/1066346721.db2.gz WKGIKDCWAQDZIE-UHFFFAOYSA-N 0 0 458.299 4.904 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001454964398 1066346645 /nfs/dbraw/zinc/34/66/45/1066346645.db2.gz XNRYCJMMVXOBRX-NSHDSACASA-N 0 0 458.277 4.702 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546066946 1066346667 /nfs/dbraw/zinc/34/66/67/1066346667.db2.gz YHJRSKGCEHRVNC-AREMUKBSSA-N 0 0 487.645 4.846 20 0 JJADRN C[C@H](CNC(=O)C1(c2ccccc2Br)CC1)Oc1cccc(Br)c1 ZINC001361096364 1066346702 /nfs/dbraw/zinc/34/67/02/1066346702.db2.gz GWGLVJZAGGLCOI-CYBMUJFWSA-N 0 0 453.174 4.827 20 0 JJADRN C[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)Oc1cccc(Br)c1 ZINC001361096367 1066346760 /nfs/dbraw/zinc/34/67/60/1066346760.db2.gz GWGLVJZAGGLCOI-ZDUSSCGKSA-N 0 0 453.174 4.827 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 ZINC001361096283 1066346802 /nfs/dbraw/zinc/34/68/02/1066346802.db2.gz YRMYGWZQUPSNSW-IBGZPJMESA-N 0 0 479.547 4.886 20 0 JJADRN Cc1csc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1Cl ZINC001361096713 1066347216 /nfs/dbraw/zinc/34/72/16/1066347216.db2.gz OGKCCMWCCPOSGP-GOSISDBHSA-N 0 0 455.935 4.911 20 0 JJADRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(NC(C)=O)ccc2Cl)cc1 ZINC001443670717 1066347102 /nfs/dbraw/zinc/34/71/02/1066347102.db2.gz GDQQHWRNPUUQFK-UHFFFAOYSA-N 0 0 454.958 4.626 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965630 1066347281 /nfs/dbraw/zinc/34/72/81/1066347281.db2.gz TZMDYLCEHDPQEU-KEZOAJOQSA-N 0 0 464.606 4.954 20 0 JJADRN COc1c(C)cc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1C ZINC001361096737 1066347388 /nfs/dbraw/zinc/34/73/88/1066347388.db2.gz OUHFNAADYMNDTF-JOCHJYFZSA-N 0 0 459.514 4.513 20 0 JJADRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(N(C)C)c3ccccc3n2)cc1 ZINC001443674597 1066347565 /nfs/dbraw/zinc/34/75/65/1066347565.db2.gz LREJVRWCQXNIGZ-UHFFFAOYSA-N 0 0 457.578 4.629 20 0 JJADRN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001454967289 1066347600 /nfs/dbraw/zinc/34/76/00/1066347600.db2.gz QMBFSZYBRDCQQI-KRWDZBQOSA-N 0 0 450.682 4.845 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)OC ZINC001545960944 1066347885 /nfs/dbraw/zinc/34/78/85/1066347885.db2.gz MCRZEXUVUCOQQN-ZIAGYGMSSA-N 0 0 473.362 4.623 20 0 JJADRN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)CCCCOc1ccc(Br)cc1 ZINC001454970565 1066348328 /nfs/dbraw/zinc/34/83/28/1066348328.db2.gz UUIZBBTVISYSIA-NRFANRHFSA-N 0 0 454.792 4.762 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067073 1066348822 /nfs/dbraw/zinc/34/88/22/1066348822.db2.gz AOEBJQPKJVOFSO-ROUUACIJSA-N 0 0 456.411 4.732 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001454981706 1066349289 /nfs/dbraw/zinc/34/92/89/1066349289.db2.gz NOGDEKOLUBIYKP-AUSIDOKSSA-N 0 0 479.533 4.911 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001454980173 1066349428 /nfs/dbraw/zinc/34/94/28/1066349428.db2.gz VOMDCVWRHLXGEM-GOSISDBHSA-N 0 0 452.429 4.580 20 0 JJADRN CCC[C@@H](C(=O)N[C@H](CC)C[C@@H](C)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454979811 1066349447 /nfs/dbraw/zinc/34/94/47/1066349447.db2.gz FWNGUFUAZPONRT-RRQZXNHTSA-N 0 0 452.595 4.702 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cnnn2-c2ccccc2Br)c1 ZINC001454980924 1066349461 /nfs/dbraw/zinc/34/94/61/1066349461.db2.gz LZEUTRYGLXTREJ-UHFFFAOYSA-N 0 0 459.300 4.596 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)c3cccc(C)c3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001361099170 1066349351 /nfs/dbraw/zinc/34/93/51/1066349351.db2.gz BSHDMZWIHSYYHE-KOSHJBKYSA-N 0 0 455.628 4.964 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)c1 ZINC001361099372 1066349396 /nfs/dbraw/zinc/34/93/96/1066349396.db2.gz FMVLPBQCWYLTMG-FQEVSTJZSA-N 0 0 458.550 4.691 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001443684367 1066349414 /nfs/dbraw/zinc/34/94/14/1066349414.db2.gz BTCXOXZNMRQKNU-INIZCTEOSA-N 0 0 455.653 4.697 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443683346 1066349449 /nfs/dbraw/zinc/34/94/49/1066349449.db2.gz YEXOJXNZAFSIKF-UHFFFAOYSA-N 0 0 450.764 4.709 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001361100063 1066349896 /nfs/dbraw/zinc/34/98/96/1066349896.db2.gz VNTRXUWBWLYRNI-UHFFFAOYSA-N 0 0 485.430 4.761 20 0 JJADRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC001443685331 1066349949 /nfs/dbraw/zinc/34/99/49/1066349949.db2.gz CVKRBSATNWAXKL-HNNXBMFYSA-N 0 0 459.019 4.569 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Br)c(Br)c2)cc1 ZINC001454998261 1066350567 /nfs/dbraw/zinc/35/05/67/1066350567.db2.gz HLEDHMKJGCDQRK-UHFFFAOYSA-N 0 0 451.118 4.863 20 0 JJADRN Cc1cccc(N(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)c1 ZINC001361101555 1066351127 /nfs/dbraw/zinc/35/11/27/1066351127.db2.gz NXWHWFIGBGFSMV-UHFFFAOYSA-N 0 0 451.644 4.670 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC001443693004 1066351068 /nfs/dbraw/zinc/35/10/68/1066351068.db2.gz ZADHRCGYHLGCTQ-OAHLLOKOSA-N 0 0 458.534 4.560 20 0 JJADRN CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ccon1)NC(=O)OC(C)(C)C ZINC001545961138 1066351121 /nfs/dbraw/zinc/35/11/21/1066351121.db2.gz PJWKPYVCWULXIQ-QGZVFWFLSA-N 0 0 466.542 4.619 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1(F)F ZINC001455003059 1066351191 /nfs/dbraw/zinc/35/11/91/1066351191.db2.gz HDLFTNPQGGUCHF-LZQZEXGQSA-N 0 0 462.541 4.707 20 0 JJADRN Cc1ccc(NC(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)cc1C(=O)c1ccccc1 ZINC001455001906 1066351236 /nfs/dbraw/zinc/35/12/36/1066351236.db2.gz FLXIZGBHRXXODW-FNZWTVRRSA-N 0 0 452.551 4.627 20 0 JJADRN COC[C@@H](NC(=O)c1cccnc1Nc1ccccc1OC)c1cccc(Br)c1 ZINC001455004030 1066351249 /nfs/dbraw/zinc/35/12/49/1066351249.db2.gz HSALRWLYGOXXKT-LJQANCHMSA-N 0 0 456.340 4.714 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)c1C ZINC001455003801 1066351311 /nfs/dbraw/zinc/35/13/11/1066351311.db2.gz RCBPMEFTWYOGSF-OSPHWJPCSA-N 0 0 451.615 4.987 20 0 JJADRN CC(C)C[C@H](C(=O)NCC(C)(C)Sc1ccc(Br)cc1)N1CCCCC1=O ZINC001361102464 1066351602 /nfs/dbraw/zinc/35/16/02/1066351602.db2.gz SXESEZXGTICUPF-GOSISDBHSA-N 0 0 455.462 4.863 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001545961190 1066351501 /nfs/dbraw/zinc/35/15/01/1066351501.db2.gz QLQWIOXRJWEGCU-VQIMIIECSA-N 0 0 493.837 4.861 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)c1ccc(C)cc1 ZINC001443695320 1066351577 /nfs/dbraw/zinc/35/15/77/1066351577.db2.gz YESIYSTYADCORZ-VWLOTQADSA-N 0 0 453.542 4.843 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)c1 ZINC001361102837 1066351957 /nfs/dbraw/zinc/35/19/57/1066351957.db2.gz HLEXPVGWRAJOMZ-QFIPXVFZSA-N 0 0 479.629 4.793 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)F)c3)CC2)nc(C(C)C)n1 ZINC001361102802 1066352007 /nfs/dbraw/zinc/35/20/07/1066352007.db2.gz GOSOEHIZCDGYDN-UHFFFAOYSA-N 0 0 469.584 4.936 20 0 JJADRN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001443697389 1066352351 /nfs/dbraw/zinc/35/23/51/1066352351.db2.gz FZYUTYICSIBIRH-JTQLQIEISA-N 0 0 454.408 4.554 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC001455008725 1066352477 /nfs/dbraw/zinc/35/24/77/1066352477.db2.gz RUZAPIVWVDGUAP-KRWDZBQOSA-N 0 0 457.409 4.584 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)c2cccc(C)c2)n(C)n1 ZINC001361103032 1066352794 /nfs/dbraw/zinc/35/27/94/1066352794.db2.gz OWLGCJDYJIEFMQ-NRFANRHFSA-N 0 0 465.602 4.517 20 0 JJADRN CSc1ccc(NC(=O)Cn2cc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)cn2)cc1 ZINC001443698828 1066352746 /nfs/dbraw/zinc/35/27/46/1066352746.db2.gz HSZQZALCFFPGEJ-JOCHJYFZSA-N 0 0 452.580 4.739 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1 ZINC001443698916 1066352772 /nfs/dbraw/zinc/35/27/72/1066352772.db2.gz JJBPJDDNEXZSQR-IBGZPJMESA-N 0 0 451.792 4.646 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001443698683 1066352861 /nfs/dbraw/zinc/35/28/61/1066352861.db2.gz NLEYABGTYYSHML-XMMPIXPASA-N 0 0 458.046 4.534 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)n1 ZINC001455009923 1066353010 /nfs/dbraw/zinc/35/30/10/1066353010.db2.gz OSGRXYLBGCCSJG-GOSISDBHSA-N 0 0 453.564 4.929 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@@H](C)C1)OC ZINC001545961243 1066353099 /nfs/dbraw/zinc/35/30/99/1066353099.db2.gz RFXPHQOREMHYEP-HOCLYGCPSA-N 0 0 477.428 4.982 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001443702290 1066353114 /nfs/dbraw/zinc/35/31/14/1066353114.db2.gz BJXFUPSJTWBDNU-KRWDZBQOSA-N 0 0 459.612 4.976 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)co1 ZINC001443701072 1066353365 /nfs/dbraw/zinc/35/33/65/1066353365.db2.gz REUCTSVNNPXSHA-SFHVURJKSA-N 0 0 457.918 4.838 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361103201 1066353405 /nfs/dbraw/zinc/35/34/05/1066353405.db2.gz VOKFPTYAFVMQQE-DYRZZGSRSA-N 0 0 469.630 4.978 20 0 JJADRN COCc1cc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1OC ZINC001455021554 1066354132 /nfs/dbraw/zinc/35/41/32/1066354132.db2.gz QFJRQNNXUDPSDE-HXUWFJFHSA-N 0 0 457.571 4.895 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC001443704068 1066354297 /nfs/dbraw/zinc/35/42/97/1066354297.db2.gz JWXWKNWWEKTSGV-QGZVFWFLSA-N 0 0 456.970 4.948 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)cc3F)CC2)nc(C(C)C)n1 ZINC001361105430 1066354497 /nfs/dbraw/zinc/35/44/97/1066354497.db2.gz KAUXDROYNVJNDX-UHFFFAOYSA-N 0 0 483.611 4.742 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443705384 1066354933 /nfs/dbraw/zinc/35/49/33/1066354933.db2.gz NNVICYKGGUDSTB-NRFANRHFSA-N 0 0 452.595 4.880 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCC3(C)C)CC2)nc(C(C)C)n1 ZINC001361105705 1066355165 /nfs/dbraw/zinc/35/51/65/1066355165.db2.gz TYDXHARSDNXJGP-NRFANRHFSA-N 0 0 453.679 4.851 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC001455044945 1066355331 /nfs/dbraw/zinc/35/53/31/1066355331.db2.gz HTTJLPBPLKUWOB-FQEVSTJZSA-N 0 0 451.633 4.716 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443707030 1066355216 /nfs/dbraw/zinc/35/52/16/1066355216.db2.gz YJAXRZJODATQHU-SFHVURJKSA-N 0 0 452.551 4.517 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443707029 1066355550 /nfs/dbraw/zinc/35/55/50/1066355550.db2.gz YJAXRZJODATQHU-GOSISDBHSA-N 0 0 452.551 4.517 20 0 JJADRN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1Cl ZINC001443716202 1066355726 /nfs/dbraw/zinc/35/57/26/1066355726.db2.gz XNOBQBKALKFMSD-SSDOTTSWSA-N 0 0 454.535 4.610 20 0 JJADRN CCn1c(SCC(=O)NCC(=O)c2cc3ccccc3s2)nnc1-c1ccccc1C ZINC001455056285 1066356094 /nfs/dbraw/zinc/35/60/94/1066356094.db2.gz WSMLGGJZJDLEFP-UHFFFAOYSA-N 0 0 450.589 4.579 20 0 JJADRN O=C(CNC(=O)c1cnn(Cc2ccccc2)c1Br)c1cc2ccccc2s1 ZINC001455058225 1066356416 /nfs/dbraw/zinc/35/64/16/1066356416.db2.gz STTMJAJKTKPBRG-UHFFFAOYSA-N 0 0 454.349 4.521 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC001361107334 1066356572 /nfs/dbraw/zinc/35/65/72/1066356572.db2.gz MMJVSTTXNCGRQO-SFTDATJTSA-N 0 0 467.658 4.700 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cnc(C(C)C)nc2)c1 ZINC001361107345 1066356587 /nfs/dbraw/zinc/35/65/87/1066356587.db2.gz MUGRMNILZSDEGY-FQEVSTJZSA-N 0 0 457.582 4.666 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001455067260 1066356767 /nfs/dbraw/zinc/35/67/67/1066356767.db2.gz NUTIJNUVYCFILV-IRLDBZIGSA-N 0 0 457.983 4.663 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cnc(C(C)C)nc2)c1 ZINC001361107346 1066356645 /nfs/dbraw/zinc/35/66/45/1066356645.db2.gz MUGRMNILZSDEGY-HXUWFJFHSA-N 0 0 457.582 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)COC1(C)C ZINC001455068287 1066357430 /nfs/dbraw/zinc/35/74/30/1066357430.db2.gz XFUQXAXMNJSEJS-SBHAEUEKSA-N 0 0 467.006 4.829 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361108351 1066357608 /nfs/dbraw/zinc/35/76/08/1066357608.db2.gz WPJQGDPDXHKSGS-RTWAWAEBSA-N 0 0 492.624 4.528 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443727047 1066357909 /nfs/dbraw/zinc/35/79/09/1066357909.db2.gz KTEKQVFWZNZXTR-PJIJBLCYSA-N 0 0 475.388 4.926 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001361109545 1066357883 /nfs/dbraw/zinc/35/78/83/1066357883.db2.gz AGZGYCDTFARODM-QGZVFWFLSA-N 0 0 452.521 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361109692 1066358446 /nfs/dbraw/zinc/35/84/46/1066358446.db2.gz DNRUUYVTKQWCBG-FBROZUCGSA-N 0 0 492.611 4.822 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCc3ccc(Br)cc32)cc1 ZINC001443727070 1066358534 /nfs/dbraw/zinc/35/85/34/1066358534.db2.gz TZKFMPTVTDFETH-FQEVSTJZSA-N 0 0 458.400 4.561 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001443729280 1066358794 /nfs/dbraw/zinc/35/87/94/1066358794.db2.gz IWNGEBIOYVZEKP-LLVKDONJSA-N 0 0 456.356 4.580 20 0 JJADRN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443729311 1066359016 /nfs/dbraw/zinc/35/90/16/1066359016.db2.gz OTFNIKRRIFTZKD-FQEVSTJZSA-N 0 0 451.325 4.550 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(C)c1 ZINC001455087267 1066358893 /nfs/dbraw/zinc/35/88/93/1066358893.db2.gz YBSRXTPWCUYKSO-XZOQPEGZSA-N 0 0 456.652 4.759 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001361109939 1066359015 /nfs/dbraw/zinc/35/90/15/1066359015.db2.gz JPFZPAJGTWSGAO-SFHVURJKSA-N 0 0 466.548 4.680 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C4CCC4)CC3)ccc2C)cc1 ZINC001455086157 1066358968 /nfs/dbraw/zinc/35/89/68/1066358968.db2.gz OWLJKTOVUNZOGS-HXUWFJFHSA-N 0 0 456.608 4.847 20 0 JJADRN COCCC1(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001455086297 1066359017 /nfs/dbraw/zinc/35/90/17/1066359017.db2.gz QCSFGNIDDVPXRT-UHFFFAOYSA-N 0 0 451.567 4.857 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(C)c1 ZINC001455087264 1066359094 /nfs/dbraw/zinc/35/90/94/1066359094.db2.gz YBSRXTPWCUYKSO-PKTZIBPZSA-N 0 0 456.652 4.759 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[nH]c(C)c1C(=O)OC ZINC001443730605 1066359351 /nfs/dbraw/zinc/35/93/51/1066359351.db2.gz QVTUUCMXTMYRSV-KRWDZBQOSA-N 0 0 457.329 4.722 20 0 JJADRN C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)cs1 ZINC001443730561 1066359423 /nfs/dbraw/zinc/35/94/23/1066359423.db2.gz QUKSYLIGLFMXFR-SRGMZFCMSA-N 0 0 457.459 4.968 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC001443730857 1066359519 /nfs/dbraw/zinc/35/95/19/1066359519.db2.gz RVSIRUSTXLMTLS-SFHVURJKSA-N 0 0 455.313 4.697 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)[nH]n2)cc1 ZINC001443729547 1066359530 /nfs/dbraw/zinc/35/95/30/1066359530.db2.gz PPINKPJOZJVVSB-HXUWFJFHSA-N 0 0 450.297 4.745 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492598147 1066359672 /nfs/dbraw/zinc/35/96/72/1066359672.db2.gz JTDSEIRQJCUMOV-WHSBFGAESA-N 0 0 488.698 4.672 20 0 JJADRN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443730894 1066359813 /nfs/dbraw/zinc/35/98/13/1066359813.db2.gz SAHQTZLEVLFNHN-INIZCTEOSA-N 0 0 454.310 4.685 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001443730891 1066359976 /nfs/dbraw/zinc/35/99/76/1066359976.db2.gz KLAXGMIBZULRBV-PIPMEXSNSA-N 0 0 465.585 4.644 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(C)c3)CC2)c1 ZINC001361110403 1066359816 /nfs/dbraw/zinc/35/98/16/1066359816.db2.gz OGLMMUXYYSVGIV-QFIPXVFZSA-N 0 0 450.631 4.674 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C(C)(C)C2)c1 ZINC001361110575 1066359864 /nfs/dbraw/zinc/35/98/64/1066359864.db2.gz QDIRBTKFKGKSAS-WOJBJXKFSA-N 0 0 481.666 4.918 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC001546068642 1066360574 /nfs/dbraw/zinc/36/05/74/1066360574.db2.gz SWUNIXDXYBCXBY-RXVVDRJESA-N 0 0 450.484 4.926 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC001361111572 1066362076 /nfs/dbraw/zinc/36/20/76/1066362076.db2.gz WJYLFSAJBIKIQP-OZWPHOJSSA-N 0 0 458.986 4.622 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cccc3nc(C(F)F)[nH]c31)C2 ZINC001455108614 1066362166 /nfs/dbraw/zinc/36/21/66/1066362166.db2.gz KWKBMCCQBPZAEX-UHFFFAOYSA-N 0 0 458.465 4.882 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCC2CCC(c3ccccc3)CC2)cc1 ZINC001443746578 1066362164 /nfs/dbraw/zinc/36/21/64/1066362164.db2.gz VBYGVQDFBBAHCX-UHFFFAOYSA-N 0 0 456.652 4.743 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2C[C@H]2C)c1 ZINC001361111952 1066362266 /nfs/dbraw/zinc/36/22/66/1066362266.db2.gz GWEOXUAELDUNHH-YPAWHYETSA-N 0 0 483.657 4.872 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001443753128 1066362358 /nfs/dbraw/zinc/36/23/58/1066362358.db2.gz CEOBNYYGYYFVQP-UHFFFAOYSA-N 0 0 459.546 4.863 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455109127 1066362407 /nfs/dbraw/zinc/36/24/07/1066362407.db2.gz FMBJGEHAAFOKTA-SDXDJHTJSA-N 0 0 452.551 4.952 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N(C)C)c1 ZINC001361111908 1066362595 /nfs/dbraw/zinc/36/25/95/1066362595.db2.gz FOGRFLXJKXNGOY-UHFFFAOYSA-N 0 0 481.666 4.577 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)C2 ZINC001455110479 1066362660 /nfs/dbraw/zinc/36/26/60/1066362660.db2.gz GTYMBTYNFYUFDK-UHFFFAOYSA-N 0 0 452.486 4.598 20 0 JJADRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455108788 1066362749 /nfs/dbraw/zinc/36/27/49/1066362749.db2.gz MDUADPRJWCWEML-MRXNPFEDSA-N 0 0 456.514 4.803 20 0 JJADRN CCCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001443759478 1066362949 /nfs/dbraw/zinc/36/29/49/1066362949.db2.gz LRQAJNJSJNSUKS-UKTHLTGXSA-N 0 0 457.622 4.814 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455114911 1066362968 /nfs/dbraw/zinc/36/29/68/1066362968.db2.gz SLIUOMVZWFMXQK-QGZVFWFLSA-N 0 0 452.551 4.711 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCCc1nc(C)cs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760147 1066363193 /nfs/dbraw/zinc/36/31/93/1066363193.db2.gz SPROJVHIMFATQQ-UQBPGWFLSA-N 0 0 455.668 4.786 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001455117239 1066363625 /nfs/dbraw/zinc/36/36/25/1066363625.db2.gz ZHAKYQLZPJNUQA-UHFFFAOYSA-N 0 0 451.445 4.791 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(C)c3)n2CCc2ccc(Cl)s2)n1 ZINC001361113133 1066363914 /nfs/dbraw/zinc/36/39/14/1066363914.db2.gz GGCMAYPCLFRFRG-UHFFFAOYSA-N 0 0 485.057 4.921 20 0 JJADRN C[C@H](CCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001443765441 1066364245 /nfs/dbraw/zinc/36/42/45/1066364245.db2.gz IHNKQPSBLMDWGH-QYZOEREBSA-N 0 0 455.640 4.612 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccccc1 ZINC001443766355 1066364341 /nfs/dbraw/zinc/36/43/41/1066364341.db2.gz OIOSCHSOJOYMHI-LOSJGSFVSA-N 0 0 458.558 4.948 20 0 JJADRN Cc1c[nH]c(C2(NC(=O)c3cc4cc(Br)cc(Br)c4o3)CCC2)n1 ZINC001455138802 1066364639 /nfs/dbraw/zinc/36/46/39/1066364639.db2.gz XTJPBHGKZUXJPF-UHFFFAOYSA-N 0 0 453.134 4.799 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C)CCCC1 ZINC001443765223 1066364560 /nfs/dbraw/zinc/36/45/60/1066364560.db2.gz MYLATFAYMFXIKB-DEOSSOPVSA-N 0 0 450.579 4.627 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)c1 ZINC001361113809 1066364906 /nfs/dbraw/zinc/36/49/06/1066364906.db2.gz SSRVQIQZMSILPW-GOTSBHOMSA-N 0 0 497.640 4.519 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C ZINC001443770235 1066365439 /nfs/dbraw/zinc/36/54/39/1066365439.db2.gz NOQKOJLDEDHVRT-NLFFAJNJSA-N 0 0 450.595 4.705 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C ZINC001443770230 1066365630 /nfs/dbraw/zinc/36/56/30/1066365630.db2.gz NOQKOJLDEDHVRT-CPJSRVTESA-N 0 0 450.595 4.705 20 0 JJADRN O=Cc1ccc(OC(F)(F)C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001443772518 1066366363 /nfs/dbraw/zinc/36/63/63/1066366363.db2.gz VNSMXTQKJQNVBH-UHFFFAOYSA-N 0 0 457.304 4.558 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)C(C)C ZINC001443774826 1066366613 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Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCCCO3)CC2)s1 ZINC001361117445 1066369089 /nfs/dbraw/zinc/36/90/89/1066369089.db2.gz GXCGOGKVJQOGOR-FQEVSTJZSA-N 0 0 473.687 4.595 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cc4c(cc3Br)NC(=O)CO4)cc2)nc1 ZINC001443788760 1066369224 /nfs/dbraw/zinc/36/92/24/1066369224.db2.gz PGPZHFUSEUDPLO-UHFFFAOYSA-N 0 0 454.280 4.528 20 0 JJADRN CN1CCCc2cc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)ccc21 ZINC001443795260 1066369530 /nfs/dbraw/zinc/36/95/30/1066369530.db2.gz CHNNKEGTINKYFW-UHFFFAOYSA-N 0 0 452.292 4.844 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N3CC[C@@H](c4ccccc4Cl)C3(C)C)cc2C=O)cc1 ZINC001455200435 1066369553 /nfs/dbraw/zinc/36/95/53/1066369553.db2.gz NHFJHTRYBQMDNT-NRFANRHFSA-N 0 0 451.954 4.819 20 0 JJADRN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 ZINC001455197428 1066369615 /nfs/dbraw/zinc/36/96/15/1066369615.db2.gz OQTHLJYKSIMUBO-UHFFFAOYSA-N 0 0 456.631 4.919 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccncc3Cl)CC2)s1 ZINC001361118357 1066369889 /nfs/dbraw/zinc/36/98/89/1066369889.db2.gz XXZRTBRLJNTCFZ-UHFFFAOYSA-N 0 0 487.073 4.732 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC001443812529 1066370655 /nfs/dbraw/zinc/37/06/55/1066370655.db2.gz GAEGDRMDJPZXHS-JGCGQSQUSA-N 0 0 455.620 4.791 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)C)nnc2N(C)Cc2csc(Br)c2)cc1 ZINC001361120148 1066370835 /nfs/dbraw/zinc/37/08/35/1066370835.db2.gz GZIKKEKZAUSQFV-UHFFFAOYSA-N 0 0 490.471 4.675 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3cccc(C)c3C)c2)cc1 ZINC001443817215 1066371197 /nfs/dbraw/zinc/37/11/97/1066371197.db2.gz KBBQSARVNOLJQJ-IBGZPJMESA-N 0 0 452.576 4.912 20 0 JJADRN COc1ccc(Cc2nc3cc(NC(=O)c4cc(C)ccc4NC(=O)N(C)C)ccc3[nH]2)cc1 ZINC001455215722 1066371374 /nfs/dbraw/zinc/37/13/74/1066371374.db2.gz ZLMVTMAHTYYWOE-UHFFFAOYSA-N 0 0 457.534 4.817 20 0 JJADRN C/C(=C/C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213058 1066371441 /nfs/dbraw/zinc/37/14/41/1066371441.db2.gz SYCYRSFAJUROSX-DIEQOXGVSA-N 0 0 456.533 4.583 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(C3CCCC3)nnc2N(C)C[C@H](C)c2nccs2)cc1F ZINC001361121118 1066371504 /nfs/dbraw/zinc/37/15/04/1066371504.db2.gz YUOQSULNOTUZRR-KRWDZBQOSA-N 0 0 470.618 4.510 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001455218301 1066371556 /nfs/dbraw/zinc/37/15/56/1066371556.db2.gz IXZBTEWPHYRXAX-HKUYNNGSSA-N 0 0 454.901 4.657 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CC[C@H](c2nccs2)C1)c1ccccc1Br ZINC001455220869 1066371887 /nfs/dbraw/zinc/37/18/87/1066371887.db2.gz LDJZQOWPNSAJEE-AWEZNQCLSA-N 0 0 456.365 4.788 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001455223325 1066372541 /nfs/dbraw/zinc/37/25/41/1066372541.db2.gz JECYCTXSAPSXLD-UHFFFAOYSA-N 0 0 454.493 4.770 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC3CCCC3)nnc2N(C)C2CCC(C)CC2)cc1F ZINC001361122608 1066372558 /nfs/dbraw/zinc/37/25/58/1066372558.db2.gz LTGQVEQKUIILNY-UHFFFAOYSA-N 0 0 455.622 4.903 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC001443827108 1066372714 /nfs/dbraw/zinc/37/27/14/1066372714.db2.gz VRCBGWLPJVIACF-QHCPKHFHSA-N 0 0 456.608 4.988 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC001443827961 1066372813 /nfs/dbraw/zinc/37/28/13/1066372813.db2.gz XUGSWIGMZSSRTH-IBGZPJMESA-N 0 0 459.635 4.897 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H]2NC(=O)CC2(C)C)c1 ZINC001361122998 1066372866 /nfs/dbraw/zinc/37/28/66/1066372866.db2.gz SCJAWIMTIBIQPW-CVDCTZTESA-N 0 0 479.625 4.994 20 0 JJADRN CC(C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001455227168 1066373019 /nfs/dbraw/zinc/37/30/19/1066373019.db2.gz SBAZHBNCMCDPES-UHFFFAOYSA-N 0 0 453.258 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCCC[C@@H](C4CCOCC4)C3)cc2CC1 ZINC001455227392 1066373549 /nfs/dbraw/zinc/37/35/49/1066373549.db2.gz VZGUWBAPGFJDPH-XMMPIXPASA-N 0 0 456.627 4.691 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1cc(Cl)c(Br)cc1F ZINC001455229753 1066373630 /nfs/dbraw/zinc/37/36/30/1066373630.db2.gz ZDHZZPPTHVKLQD-CABCVRRESA-N 0 0 454.645 4.506 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545962662 1066373782 /nfs/dbraw/zinc/37/37/82/1066373782.db2.gz HVKQWWLJSUSHQN-LJQANCHMSA-N 0 0 469.586 4.795 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2cccc(C)n2)cnn1C ZINC001361123524 1066373968 /nfs/dbraw/zinc/37/39/68/1066373968.db2.gz CYJGUQAODKAKOD-UHFFFAOYSA-N 0 0 487.652 4.913 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)Cc2ccco2)s1 ZINC001361123525 1066374114 /nfs/dbraw/zinc/37/41/14/1066374114.db2.gz DCMOAKNAGVLTND-UHFFFAOYSA-N 0 0 452.584 4.727 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCOCC3)n2CCc2ccncc2)c1 ZINC001361123510 1066374132 /nfs/dbraw/zinc/37/41/32/1066374132.db2.gz CLPYUFRZSRIOAO-UHFFFAOYSA-N 0 0 463.626 4.789 20 0 JJADRN CC(C)(CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cccc(F)c1 ZINC001443840332 1066374241 /nfs/dbraw/zinc/37/42/41/1066374241.db2.gz KAGFUYNOKAXODC-UHFFFAOYSA-N 0 0 459.612 4.742 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC001443840374 1066374486 /nfs/dbraw/zinc/37/44/86/1066374486.db2.gz RCTTYRIJHCZYAA-GCJKJVERSA-N 0 0 458.562 4.626 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001361123603 1066374649 /nfs/dbraw/zinc/37/46/49/1066374649.db2.gz HHNPJBKNCFLPNY-QZTJIDSGSA-N 0 0 454.537 4.839 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cnccn3)n2CC2(C)CCOCC2)c1 ZINC001361123590 1066374701 /nfs/dbraw/zinc/37/47/01/1066374701.db2.gz GRYKXNJRWPJERG-UHFFFAOYSA-N 0 0 478.641 4.575 20 0 JJADRN O=C(c1ccnc(Cl)c1I)N1CCCSC[C@@H]1c1ccccc1 ZINC001455249826 1066375157 /nfs/dbraw/zinc/37/51/57/1066375157.db2.gz LYQZUEHLYAOKKM-CQSZACIVSA-N 0 0 458.752 4.660 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CNc2c(C)cccc2C)cc1 ZINC001455249593 1066375335 /nfs/dbraw/zinc/37/53/35/1066375335.db2.gz 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Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCc2cccnc2)c1 ZINC001361124065 1066376595 /nfs/dbraw/zinc/37/65/95/1066376595.db2.gz VWWMWBRPUPPVPB-HSZRJFAPSA-N 0 0 463.626 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC001455264488 1066376991 /nfs/dbraw/zinc/37/69/91/1066376991.db2.gz GDSDVOIFNAPMOC-NHCUHLMSSA-N 0 0 452.599 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001455268817 1066377312 /nfs/dbraw/zinc/37/73/12/1066377312.db2.gz ZNIXZQQPHQFWCU-NZQKXSOJSA-N 0 0 452.599 4.962 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001443863134 1066377465 /nfs/dbraw/zinc/37/74/65/1066377465.db2.gz QYJXQNSAOIZMTG-HNNXBMFYSA-N 0 0 458.946 4.771 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnc(-c2ccccc2Br)s1 ZINC001443862875 1066377505 /nfs/dbraw/zinc/37/75/05/1066377505.db2.gz PNCIPSPYDMHAGZ-GFCCVEGCSA-N 0 0 454.390 4.558 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001361124185 1066377694 /nfs/dbraw/zinc/37/76/94/1066377694.db2.gz ZEBMQMCIIGFTAY-LJQANCHMSA-N 0 0 455.628 4.522 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC(C)(C)CC(F)F)Cc1cc(F)c(F)cc1F ZINC001455271686 1066377821 /nfs/dbraw/zinc/37/78/21/1066377821.db2.gz GMLZOUVEHFPOOM-CYBMUJFWSA-N 0 0 452.464 4.727 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)CNC(=O)c2cccc(F)c2)cc1 ZINC001455272350 1066377928 /nfs/dbraw/zinc/37/79/28/1066377928.db2.gz LGPFNUKYCYKRGL-UHFFFAOYSA-N 0 0 456.514 4.867 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001443863140 1066377823 /nfs/dbraw/zinc/37/78/23/1066377823.db2.gz QYJXQNSAOIZMTG-OAHLLOKOSA-N 0 0 458.946 4.771 20 0 JJADRN CCN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001443866961 1066377942 /nfs/dbraw/zinc/37/79/42/1066377942.db2.gz DAFBXQJBOBCHIA-HNNXBMFYSA-N 0 0 454.514 4.617 20 0 JJADRN CC[C@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(C(F)(F)F)cs1 ZINC001361124490 1066378303 /nfs/dbraw/zinc/37/83/03/1066378303.db2.gz GHTNAPLELDSCFU-LBPRGKRZSA-N 0 0 455.483 4.824 20 0 JJADRN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001455273215 1066378417 /nfs/dbraw/zinc/37/84/17/1066378417.db2.gz IDQKFFDUIRIEKD-MRXNPFEDSA-N 0 0 456.514 4.803 20 0 JJADRN Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 ZINC001443872627 1066378440 /nfs/dbraw/zinc/37/84/40/1066378440.db2.gz MXHGWSHRTMPNFG-AWEZNQCLSA-N 0 0 458.278 4.768 20 0 JJADRN CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001455276450 1066378931 /nfs/dbraw/zinc/37/89/31/1066378931.db2.gz SEASLSXLEZRDHB-IAGOWNOFSA-N 0 0 456.505 4.985 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)CCc1ccc(C(F)F)cc1)C2 ZINC001455275923 1066378942 /nfs/dbraw/zinc/37/89/42/1066378942.db2.gz RIPCZIOERSVLPW-UHFFFAOYSA-N 0 0 451.539 4.623 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1sc(N2CCCC2)nc1Cl ZINC001443874305 1066379403 /nfs/dbraw/zinc/37/94/03/1066379403.db2.gz CJHCEXJXXFZPSM-HNNXBMFYSA-N 0 0 457.402 4.584 20 0 JJADRN CCCc1cc(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)ccc1Cl ZINC001455277653 1066379492 /nfs/dbraw/zinc/37/94/92/1066379492.db2.gz YPKSFRMQXZJJPC-UHFFFAOYSA-N 0 0 450.004 4.972 20 0 JJADRN Cc1cccc(NC[C@H]2CCCN2C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)n1 ZINC001443876640 1066379717 /nfs/dbraw/zinc/37/97/17/1066379717.db2.gz SEMRTXXZSUVNDO-LJQANCHMSA-N 0 0 455.628 4.619 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C ZINC001455282433 1066379935 /nfs/dbraw/zinc/37/99/35/1066379935.db2.gz FPGXFTAKOFGCDU-UHFFFAOYSA-N 0 0 458.967 4.669 20 0 JJADRN COC(=O)c1ccc2c(c1)CCN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)C2 ZINC001455282755 1066380044 /nfs/dbraw/zinc/38/00/44/1066380044.db2.gz LDDBLOHTSYKYKR-UHFFFAOYSA-N 0 0 458.942 4.601 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCN(C)CC(F)(F)F)c1 ZINC001361125836 1066380245 /nfs/dbraw/zinc/38/02/45/1066380245.db2.gz FNUGFAHGJGTJNB-IBGZPJMESA-N 0 0 497.606 4.787 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001455285933 1066380490 /nfs/dbraw/zinc/38/04/90/1066380490.db2.gz VDLZXKRDQISDOI-UHFFFAOYSA-N 0 0 455.555 4.605 20 0 JJADRN Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C2(C)C)cc1 ZINC001455283615 1066380551 /nfs/dbraw/zinc/38/05/51/1066380551.db2.gz KAKKOMQXFDGYBQ-MOPGFXCFSA-N 0 0 455.396 4.905 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC001443880855 1066380634 /nfs/dbraw/zinc/38/06/34/1066380634.db2.gz ISEVIJBBPXNKST-FPOVZHCZSA-N 0 0 458.942 4.580 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546071127 1066380985 /nfs/dbraw/zinc/38/09/85/1066380985.db2.gz WGQRQJADWKMRKF-UGKGYDQZSA-N 0 0 463.420 4.966 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccsc4[C@H]3C)cc2)cc1 ZINC001455291614 1066381003 /nfs/dbraw/zinc/38/10/03/1066381003.db2.gz CMIBUVDFPOPOAC-MRXNPFEDSA-N 0 0 456.589 4.707 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CCOC2)c1 ZINC001361125909 1066380836 /nfs/dbraw/zinc/38/08/36/1066380836.db2.gz GYLRDICILDDARL-IDISGSTGSA-N 0 0 470.658 4.845 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001361125935 1066380903 /nfs/dbraw/zinc/38/09/03/1066380903.db2.gz HQPUVMNNKFNBFQ-UUWRZZSWSA-N 0 0 496.599 4.899 20 0 JJADRN CSc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)nc1 ZINC001443882673 1066381185 /nfs/dbraw/zinc/38/11/85/1066381185.db2.gz ZYLVHZGGTFGTMF-MRXNPFEDSA-N 0 0 452.374 4.771 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC001455287346 1066381052 /nfs/dbraw/zinc/38/10/52/1066381052.db2.gz QVZSJCDYQFYPHR-KRWDZBQOSA-N 0 0 454.876 4.952 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Br)ccc2OC)C1 ZINC001546071126 1066381086 /nfs/dbraw/zinc/38/10/86/1066381086.db2.gz WGQRQJADWKMRKF-SIKLNZKXSA-N 0 0 463.420 4.966 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC001455287369 1066381278 /nfs/dbraw/zinc/38/12/78/1066381278.db2.gz QVZSJCDYQFYPHR-QGZVFWFLSA-N 0 0 454.876 4.952 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2sc3nc(C)nc(N)c3c2C)cc1 ZINC001443892817 1066381707 /nfs/dbraw/zinc/38/17/07/1066381707.db2.gz PUCVHRGIZIIRSZ-OALUTQOASA-N 0 0 454.596 4.799 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC(=O)NCC2CC2)c1 ZINC001361125990 1066381960 /nfs/dbraw/zinc/38/19/60/1066381960.db2.gz IPUNJFCEUJKYDD-OAQYLSRUSA-N 0 0 467.658 4.688 20 0 JJADRN O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC001455307788 1066382262 /nfs/dbraw/zinc/38/22/62/1066382262.db2.gz GTZVTVABAXFGRO-QHCPKHFHSA-N 0 0 459.304 4.759 20 0 JJADRN COc1ccccc1-c1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)n[nH]1 ZINC001455300876 1066382279 /nfs/dbraw/zinc/38/22/79/1066382279.db2.gz QAHWXHGMAIJQNV-FQEVSTJZSA-N 0 0 458.465 4.568 20 0 JJADRN Cc1cc(C)c(-c2cc(NC(=O)c3cn(-c4ccc(Br)cc4)nn3)n[nH]2)cc1C ZINC001455307032 1066382405 /nfs/dbraw/zinc/38/24/05/1066382405.db2.gz UYCLATHOYTUKRX-UHFFFAOYSA-N 0 0 451.328 4.597 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC(C(C)C)CC2)n[nH]1 ZINC001361126161 1066382367 /nfs/dbraw/zinc/38/23/67/1066382367.db2.gz MHWKCEIVQGBIJY-UHFFFAOYSA-N 0 0 465.646 4.831 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCCCCC[C@@H]43)n2CCC(=O)N(C)C)c1 ZINC001361126179 1066382927 /nfs/dbraw/zinc/38/29/27/1066382927.db2.gz MQVJXUWGKUQVRH-GGAORHGYSA-N 0 0 467.658 4.926 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC001443893882 1066383067 /nfs/dbraw/zinc/38/30/67/1066383067.db2.gz KHVKWSQUPBWLSA-UHFFFAOYSA-N 0 0 459.384 4.969 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CCC2(O)CCOCC2)c1 ZINC001361126254 1066382973 /nfs/dbraw/zinc/38/29/73/1066382973.db2.gz PBBXCXMGBPBAFG-FGZHOGPDSA-N 0 0 470.658 4.703 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC2(O)CCOCC2)c1 ZINC001361126255 1066383170 /nfs/dbraw/zinc/38/31/70/1066383170.db2.gz PBBXCXMGBPBAFG-SZPZYZBQSA-N 0 0 470.658 4.703 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC001455319025 1066383257 /nfs/dbraw/zinc/38/32/57/1066383257.db2.gz YYDSTIFWDVPPJV-SFHVURJKSA-N 0 0 453.367 4.540 20 0 JJADRN Cc1noc(C)c1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361126293 1066383586 /nfs/dbraw/zinc/38/35/86/1066383586.db2.gz POLIUMRRIIOIAT-SFHVURJKSA-N 0 0 467.614 4.946 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC2CCOCC2)c1 ZINC001361126267 1066383641 /nfs/dbraw/zinc/38/36/41/1066383641.db2.gz PFAIOSFPTKPJBY-AVRDEDQJSA-N 0 0 496.574 4.872 20 0 JJADRN CCOC(=O)[C@H]1Cc2cc(F)ccc2N(C(=O)c2nc3ccccc3cc2Br)C1 ZINC001455339678 1066383810 /nfs/dbraw/zinc/38/38/10/1066383810.db2.gz ILWICMNDYUHALB-HNNXBMFYSA-N 0 0 457.299 4.519 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361126369 1066384035 /nfs/dbraw/zinc/38/40/35/1066384035.db2.gz QUBAMOHJBUUESC-PMACEKPBSA-N 0 0 497.606 4.787 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC)NC(=O)OC(C)(C)C ZINC001545963157 1066384277 /nfs/dbraw/zinc/38/42/77/1066384277.db2.gz QTISONFCNDFTRM-FQEVSTJZSA-N 0 0 483.613 4.837 20 0 JJADRN COc1nscc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001455353505 1066384542 /nfs/dbraw/zinc/38/45/42/1066384542.db2.gz QDPSASGALFUYDI-UHFFFAOYSA-N 0 0 459.593 4.811 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCn2cccn2)c1 ZINC001361126478 1066384825 /nfs/dbraw/zinc/38/48/25/1066384825.db2.gz SJAYZLCKWRGAEA-OAQYLSRUSA-N 0 0 466.630 4.579 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1csnc1OC ZINC001455357639 1066384775 /nfs/dbraw/zinc/38/47/75/1066384775.db2.gz ZHACKWWEUAGXPM-XMMPIXPASA-N 0 0 451.548 4.798 20 0 JJADRN Cn1nccc1C1(O)CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC001455369247 1066385032 /nfs/dbraw/zinc/38/50/32/1066385032.db2.gz DLNARANZLWYFHP-NRFANRHFSA-N 0 0 459.974 4.556 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2cnc(Cl)c(Br)c2)c1 ZINC001455391954 1066385498 /nfs/dbraw/zinc/38/54/98/1066385498.db2.gz KRZXXHOEYUANDH-UHFFFAOYSA-N 0 0 458.715 4.914 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)/C(=C/c1ccccc1OC)c1ccccc1)C2 ZINC001455397329 1066385761 /nfs/dbraw/zinc/38/57/61/1066385761.db2.gz COSQGGXDOSHPTO-HAVVHWLPSA-N 0 0 457.526 4.616 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccc(Br)cc2)c1 ZINC001443918436 1066385820 /nfs/dbraw/zinc/38/58/20/1066385820.db2.gz LNRPFROILKANLP-UHFFFAOYSA-N 0 0 452.780 4.995 20 0 JJADRN Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCOCC1 ZINC001443922830 1066385873 /nfs/dbraw/zinc/38/58/73/1066385873.db2.gz WLWBLAVNKLLOKV-UHFFFAOYSA-N 0 0 450.579 4.975 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)C2 ZINC001455397232 1066385845 /nfs/dbraw/zinc/38/58/45/1066385845.db2.gz BJXQNVPMKNCMSQ-UHFFFAOYSA-N 0 0 459.329 4.982 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCc2ccn(C)n2)c1 ZINC001361126655 1066385865 /nfs/dbraw/zinc/38/58/65/1066385865.db2.gz XCTUFJNBJUAQTJ-SFTDATJTSA-N 0 0 450.631 4.890 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1ccccc1Nc1ccc(C(C)=O)cc1)C2 ZINC001455401348 1066386339 /nfs/dbraw/zinc/38/63/39/1066386339.db2.gz ZOZJMLUIMOWKNW-UHFFFAOYSA-N 0 0 458.514 4.627 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC2(O)CCC2)c1 ZINC001361126893 1066386268 /nfs/dbraw/zinc/38/62/68/1066386268.db2.gz BBGUTVVRKNQZTI-IBGZPJMESA-N 0 0 496.574 4.752 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2(C(C)C)CC2)c1 ZINC001361126915 1066386415 /nfs/dbraw/zinc/38/64/15/1066386415.db2.gz BVJALIDBFRDOQC-OAQYLSRUSA-N 0 0 467.658 4.817 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2nc(C)cc2C)C1 ZINC001546072325 1066386478 /nfs/dbraw/zinc/38/64/78/1066386478.db2.gz CSIUHJYYQAPMLC-MHZLTWQESA-N 0 0 499.704 4.923 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1)NC(=O)OC(C)(C)C ZINC001545963293 1066387101 /nfs/dbraw/zinc/38/71/01/1066387101.db2.gz UAGFGGYINHNWJN-FQEVSTJZSA-N 0 0 483.613 4.973 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC001455410034 1066387332 /nfs/dbraw/zinc/38/73/32/1066387332.db2.gz GTJQGQIQZLSSQE-HXUWFJFHSA-N 0 0 452.599 4.607 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455411921 1066387686 /nfs/dbraw/zinc/38/76/86/1066387686.db2.gz KCWIRAUXWLFPED-HSZRJFAPSA-N 0 0 452.595 4.859 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1)OC ZINC001545963395 1066388225 /nfs/dbraw/zinc/38/82/25/1066388225.db2.gz VRWMEXZOZYYMQM-FQEVSTJZSA-N 0 0 467.580 4.742 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2CC[C@H]2COCCO2)c1 ZINC001361127349 1066388082 /nfs/dbraw/zinc/38/80/82/1066388082.db2.gz HZWVYIHFFXBSAS-QFIPXVFZSA-N 0 0 456.631 4.865 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001361127302 1066388095 /nfs/dbraw/zinc/38/80/95/1066388095.db2.gz HFWDRTHAQCNVKR-LADGPHEKSA-N 0 0 469.674 4.634 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC[C@@H]2COCCO2)c1 ZINC001361127503 1066388616 /nfs/dbraw/zinc/38/86/16/1066388616.db2.gz KFPKULTVGNMZCK-GGAORHGYSA-N 0 0 456.631 4.719 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC=CO2)c1 ZINC001361127534 1066389027 /nfs/dbraw/zinc/38/90/27/1066389027.db2.gz LDYOFPGDNRHWQX-GOTSBHOMSA-N 0 0 495.668 4.723 20 0 JJADRN CC[C@H](C)[C@](C)(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001443968090 1066389207 /nfs/dbraw/zinc/38/92/07/1066389207.db2.gz KQLXOLQSPCWYJD-QMHKHESXSA-N 0 0 456.384 4.829 20 0 JJADRN CC[C@@H](C)[C@](C)(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001443968169 1066389243 /nfs/dbraw/zinc/38/92/43/1066389243.db2.gz KQLXOLQSPCWYJD-WAIKUNEKSA-N 0 0 456.384 4.829 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361127699 1066389432 /nfs/dbraw/zinc/38/94/32/1066389432.db2.gz NISICYGIJWEINX-UHFFFAOYSA-N 0 0 455.647 4.832 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C1 ZINC001546072591 1066389541 /nfs/dbraw/zinc/38/95/41/1066389541.db2.gz HKOQHGRGSFWPGG-ZBLYBZFDSA-N 0 0 453.675 4.762 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361127649 1066389671 /nfs/dbraw/zinc/38/96/71/1066389671.db2.gz MQQISODNUHWKDS-ROUUACIJSA-N 0 0 466.548 4.839 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2CC(=O)NCc2ccco2)c1 ZINC001361127793 1066389870 /nfs/dbraw/zinc/38/98/70/1066389870.db2.gz OTPLMSPVCXFWEN-UHFFFAOYSA-N 0 0 479.625 4.969 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CCC(C)C)c1 ZINC001361127918 1066389972 /nfs/dbraw/zinc/38/99/72/1066389972.db2.gz QCWYBBQFRWAWPW-NRFANRHFSA-N 0 0 451.619 4.768 20 0 JJADRN CN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001443986098 1066390254 /nfs/dbraw/zinc/39/02/54/1066390254.db2.gz VRSTVZOENOWJNX-OAQYLSRUSA-N 0 0 454.640 4.940 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001443978569 1066390448 /nfs/dbraw/zinc/39/04/48/1066390448.db2.gz OMXZIZODFUPXTR-HKUYNNGSSA-N 0 0 457.537 4.682 20 0 JJADRN COc1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC001443987409 1066390688 /nfs/dbraw/zinc/39/06/88/1066390688.db2.gz ARRIXPPBUMDHFR-UKPGIYTDSA-N 0 0 457.979 4.777 20 0 JJADRN C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1ccncc1Br ZINC001455444458 1066390862 /nfs/dbraw/zinc/39/08/62/1066390862.db2.gz BJCYZXXXBKHVQF-KBXCAEBGSA-N 0 0 454.409 4.885 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3cccc(Nc4nn[nH]n4)c3)cc2C)cc1 ZINC001443989801 1066391331 /nfs/dbraw/zinc/39/13/31/1066391331.db2.gz FBMSLCJFMWZWRL-UHFFFAOYSA-N 0 0 456.550 4.720 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Cn4cccn4)CC3)n2CC(F)(F)F)c1 ZINC001361128272 1066391509 /nfs/dbraw/zinc/39/15/09/1066391509.db2.gz VXFNCDQNWHMINO-UHFFFAOYSA-N 0 0 476.547 4.964 20 0 JJADRN C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)s1 ZINC001443993073 1066391807 /nfs/dbraw/zinc/39/18/07/1066391807.db2.gz IKCAZJDNJGGNTI-UKRRQHHQSA-N 0 0 453.402 4.996 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](C)C3)n2CCN2CCOC(C)(C)C2)c1 ZINC001361128566 1066392773 /nfs/dbraw/zinc/39/27/73/1066392773.db2.gz ZLUKEIOXHHFMNT-QFIPXVFZSA-N 0 0 469.674 4.636 20 0 JJADRN C[C@H]1c2ccc(C(=O)Nc3ccc(Br)c(F)c3)n2CCN1C(=O)OC(C)(C)C ZINC001443997933 1066393066 /nfs/dbraw/zinc/39/30/66/1066393066.db2.gz XTCDKUGIVZYOTC-LBPRGKRZSA-N 0 0 452.324 4.954 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC001361129201 1066393377 /nfs/dbraw/zinc/39/33/77/1066393377.db2.gz RLXHQCKKPFVSAO-DHIUTWEWSA-N 0 0 450.608 4.780 20 0 JJADRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001455460118 1066393729 /nfs/dbraw/zinc/39/37/29/1066393729.db2.gz AMABJSPQNPRSOK-UHFFFAOYSA-N 0 0 456.876 4.928 20 0 JJADRN COc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)sc1Br ZINC001444004509 1066393843 /nfs/dbraw/zinc/39/38/43/1066393843.db2.gz WVSFFKVLCOYESW-ZDUSSCGKSA-N 0 0 455.374 4.515 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361129873 1066393916 /nfs/dbraw/zinc/39/39/16/1066393916.db2.gz FPPUAVQLYJKFLX-SFTDATJTSA-N 0 0 482.673 4.575 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H]2C[C@H]2C)c1 ZINC001361129872 1066394041 /nfs/dbraw/zinc/39/40/41/1066394041.db2.gz FPPUAVQLYJKFLX-RTWAWAEBSA-N 0 0 482.673 4.575 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C(F)(F)F)C2)s1 ZINC001361130052 1066394364 /nfs/dbraw/zinc/39/43/64/1066394364.db2.gz HRMYWOSDQSQHDG-HXUWFJFHSA-N 0 0 495.571 4.870 20 0 JJADRN COc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1S(C)(=O)=O ZINC001361129996 1066394431 /nfs/dbraw/zinc/39/44/31/1066394431.db2.gz JDDYBYHINBDPJN-HXUWFJFHSA-N 0 0 450.000 4.674 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1[nH]nc(-c2ccccc2)c1Br ZINC001455466784 1066394668 /nfs/dbraw/zinc/39/46/68/1066394668.db2.gz BAUXCJSYQJQRPE-UHFFFAOYSA-N 0 0 459.653 4.836 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)CCOc3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC001444012817 1066394661 /nfs/dbraw/zinc/39/46/61/1066394661.db2.gz CEWMCVXONIGRHT-UHFFFAOYSA-N 0 0 456.439 4.810 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCNC(=O)CC3)n2CCCC2CCCC2)c1 ZINC001361130032 1066394678 /nfs/dbraw/zinc/39/46/78/1066394678.db2.gz HBWCAWOWJBNOHM-UHFFFAOYSA-N 0 0 453.631 4.586 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444019872 1066395037 /nfs/dbraw/zinc/39/50/37/1066395037.db2.gz FKQVAKSNKRASLR-LJQANCHMSA-N 0 0 452.595 4.841 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)c2ccccn2)c1 ZINC001361130108 1066395171 /nfs/dbraw/zinc/39/51/71/1066395171.db2.gz JKGVZTWSTNGPKC-NRFANRHFSA-N 0 0 463.626 4.887 20 0 JJADRN CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 ZINC001444019935 1066395346 /nfs/dbraw/zinc/39/53/46/1066395346.db2.gz GCMQDNUCCHRBRV-UHFFFAOYSA-N 0 0 459.575 4.879 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCSC(C)C)c1 ZINC001361130945 1066396721 /nfs/dbraw/zinc/39/67/21/1066396721.db2.gz SUCKJNMIPQLVBT-HFZDXXHNSA-N 0 0 488.698 4.815 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCCCO2)c1 ZINC001361130913 1066396757 /nfs/dbraw/zinc/39/67/57/1066396757.db2.gz SCOUSCCBBWNJLV-LEWJYISDSA-N 0 0 456.631 4.862 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001361130887 1066396807 /nfs/dbraw/zinc/39/68/07/1066396807.db2.gz ZNZVSVXJVYYUMS-LJQANCHMSA-N 0 0 456.388 4.688 20 0 JJADRN COc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1OCc1cccnc1 ZINC000031409979 1066396841 /nfs/dbraw/zinc/39/68/41/1066396841.db2.gz RZEJSAMUSFYZRE-UHFFFAOYSA-N 0 0 480.571 4.621 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)ccc2C)cc1 ZINC001444037405 1066397128 /nfs/dbraw/zinc/39/71/28/1066397128.db2.gz UIJHXXWVFVDBIT-WOIUINJBSA-N 0 0 456.608 4.893 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)s1 ZINC001455491946 1066397169 /nfs/dbraw/zinc/39/71/69/1066397169.db2.gz DGNDGPLAAQDTTB-SXLOBPIMSA-N 0 0 455.624 4.874 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c1 ZINC001444053973 1066397239 /nfs/dbraw/zinc/39/72/39/1066397239.db2.gz DHJYQAMFLZIWLQ-DEOSSOPVSA-N 0 0 458.587 4.777 20 0 JJADRN COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1NC(=O)C1CCCCC1 ZINC001444056044 1066397641 /nfs/dbraw/zinc/39/76/41/1066397641.db2.gz HYAIMIXLCUPJEQ-OAHLLOKOSA-N 0 0 457.958 4.624 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001455495069 1066397804 /nfs/dbraw/zinc/39/78/04/1066397804.db2.gz NTRJASSPLQWPEI-QHCPKHFHSA-N 0 0 457.659 4.988 20 0 JJADRN CCOc1nc2cc(C(=O)N[C@@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)ccc2[nH]1 ZINC001455498321 1066398082 /nfs/dbraw/zinc/39/80/82/1066398082.db2.gz XCSDPYVKDHUEIA-HXUWFJFHSA-N 0 0 456.587 4.651 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC(C)C)C1 ZINC001546073199 1066398226 /nfs/dbraw/zinc/39/82/26/1066398226.db2.gz PWCOYWWALARJHN-CPJSRVTESA-N 0 0 495.734 4.992 20 0 JJADRN O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001455499005 1066398247 /nfs/dbraw/zinc/39/82/47/1066398247.db2.gz CHXCIQPGFVNDQX-GLRZTSSQSA-N 0 0 453.258 4.729 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC001455500584 1066398545 /nfs/dbraw/zinc/39/85/45/1066398545.db2.gz FUDCLFOSKOWLGP-UHFFFAOYSA-N 0 0 451.571 4.553 20 0 JJADRN CNc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(Cl)c1 ZINC001444066769 1066398827 /nfs/dbraw/zinc/39/88/27/1066398827.db2.gz XMBCPIGFFBBEGJ-UHFFFAOYSA-N 0 0 450.713 4.983 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CC[C@H]2COCCO2)c1 ZINC001361131252 1066398825 /nfs/dbraw/zinc/39/88/25/1066398825.db2.gz CNXGKYDFMCPRCQ-HBMCJLEFSA-N 0 0 492.611 4.822 20 0 JJADRN CC[C@]1(C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 ZINC001455503700 1066399027 /nfs/dbraw/zinc/39/90/27/1066399027.db2.gz NFAMQBCSKHQIJS-DEOSSOPVSA-N 0 0 455.640 4.567 20 0 JJADRN CC[C@@]1(C(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 ZINC001455503702 1066399212 /nfs/dbraw/zinc/39/92/12/1066399212.db2.gz NFAMQBCSKHQIJS-XMMPIXPASA-N 0 0 455.640 4.567 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)cnn1C ZINC001361131473 1066399275 /nfs/dbraw/zinc/39/92/75/1066399275.db2.gz IZFWPIJQIBFFEI-AZUAARDMSA-N 0 0 468.671 4.709 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC[C@@H]1C ZINC001361131593 1066399330 /nfs/dbraw/zinc/39/93/30/1066399330.db2.gz LTLHRKHYNJTHIS-SFHVURJKSA-N 0 0 455.628 4.522 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)cnn1C ZINC001361131475 1066399468 /nfs/dbraw/zinc/39/94/68/1066399468.db2.gz IZFWPIJQIBFFEI-QUCCMNQESA-N 0 0 468.671 4.709 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC[C@H]1C ZINC001361131461 1066399579 /nfs/dbraw/zinc/39/95/79/1066399579.db2.gz ITYGSAISUAUWDS-RTBURBONSA-N 0 0 467.614 4.923 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCCO2)C1 ZINC001546073300 1066399692 /nfs/dbraw/zinc/39/96/92/1066399692.db2.gz QYBBCCAQGARLHT-CJFMBICVSA-N 0 0 461.651 4.588 20 0 JJADRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1sc(-c3ccc(C)cc3Br)nc1C)CC2 ZINC001455507076 1066399744 /nfs/dbraw/zinc/39/97/44/1066399744.db2.gz WFXGXIZOGISVKK-IERDGZPVSA-N 0 0 463.397 4.747 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC[C@@H]3C)n2CCc2ccccn2)c1 ZINC001361131708 1066400035 /nfs/dbraw/zinc/40/00/35/1066400035.db2.gz OJBGLFOYNJRSNV-FQEVSTJZSA-N 0 0 451.640 4.868 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)CC1 ZINC001444075595 1066400297 /nfs/dbraw/zinc/40/02/97/1066400297.db2.gz LESQFCJEEDKQJR-QHCPKHFHSA-N 0 0 451.521 4.716 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2COc2cccc(C=O)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001444075938 1066400322 /nfs/dbraw/zinc/40/03/22/1066400322.db2.gz WTZLGGRIGWVHGL-RTBURBONSA-N 0 0 452.551 4.548 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)[C@@H](O)CCc2ccccc2)C1)C1CCCC1 ZINC001455508780 1066400351 /nfs/dbraw/zinc/40/03/51/1066400351.db2.gz HAUFVGYZNCAJTM-JRFVFWCSSA-N 0 0 458.643 4.692 20 0 JJADRN O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC001444080365 1066400676 /nfs/dbraw/zinc/40/06/76/1066400676.db2.gz JFJGUOSMGYDKRD-ZHAHRWAOSA-N 0 0 456.921 4.993 20 0 JJADRN CCNc1nc(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cs1 ZINC001455509835 1066400746 /nfs/dbraw/zinc/40/07/46/1066400746.db2.gz LFQKNNMYGIFCFC-SJLPKXTDSA-N 0 0 450.649 4.901 20 0 JJADRN COc1ccccc1NCC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001455509719 1066400900 /nfs/dbraw/zinc/40/09/00/1066400900.db2.gz LBJKWRVDXPGIJP-SIKLNZKXSA-N 0 0 459.631 4.819 20 0 JJADRN CCNc1nc(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)cs1 ZINC001455509823 1066400922 /nfs/dbraw/zinc/40/09/22/1066400922.db2.gz LFQKNNMYGIFCFC-AEFFLSMTSA-N 0 0 450.649 4.901 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444081142 1066401018 /nfs/dbraw/zinc/40/10/18/1066401018.db2.gz NXHMAHRSFGBYTF-RTBURBONSA-N 0 0 467.541 4.722 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361131994 1066401578 /nfs/dbraw/zinc/40/15/78/1066401578.db2.gz SLTQVRRPASPNNH-UHFFFAOYSA-N 0 0 489.542 4.782 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2CCOc2ncccc2Cl)c1 ZINC001361132214 1066401632 /nfs/dbraw/zinc/40/16/32/1066401632.db2.gz WEXCWVZSFLDXEV-LJQANCHMSA-N 0 0 486.016 4.641 20 0 JJADRN CCOc1cccc(CC(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001455510432 1066401761 /nfs/dbraw/zinc/40/17/61/1066401761.db2.gz NBPYUPSUGSXEMU-SIKLNZKXSA-N 0 0 459.631 4.735 20 0 JJADRN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001444082351 1066401893 /nfs/dbraw/zinc/40/18/93/1066401893.db2.gz PGSCGJXULBFLCB-MRXNPFEDSA-N 0 0 451.473 4.961 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455512177 1066402133 /nfs/dbraw/zinc/40/21/33/1066402133.db2.gz CKGQKSBVZXRMTR-VFCRVFHLSA-N 0 0 469.445 4.645 20 0 JJADRN CC(C)(O)C1CCC(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CC1 ZINC001444084199 1066402283 /nfs/dbraw/zinc/40/22/83/1066402283.db2.gz SPFJYRONZZVTEC-UHFFFAOYSA-N 0 0 453.558 4.932 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[C@H]2COCCO2)c1 ZINC001361132418 1066402241 /nfs/dbraw/zinc/40/22/41/1066402241.db2.gz XXTRCYMJGYXRBS-SVFBPWRDSA-N 0 0 496.574 4.729 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSCC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361132436 1066402252 /nfs/dbraw/zinc/40/22/52/1066402252.db2.gz YGADZQRQTLBWAJ-VWLOTQADSA-N 0 0 458.672 4.783 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC001444086873 1066403228 /nfs/dbraw/zinc/40/32/28/1066403228.db2.gz SGKFSLGIQWCSDM-UHFFFAOYSA-N 0 0 455.486 4.775 20 0 JJADRN C[C@@H](CN(C)C(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1)C(C)(C)C ZINC001455520374 1066403082 /nfs/dbraw/zinc/40/30/82/1066403082.db2.gz BHSDIYIFKNLNPU-INIZCTEOSA-N 0 0 452.437 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCc3cc(Cl)ccc3Br)C[C@]2(C)C1 ZINC001455520515 1066403285 /nfs/dbraw/zinc/40/32/85/1066403285.db2.gz LGDSOOKWDUUXMG-YCRPNKLZSA-N 0 0 471.823 4.751 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CCc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC001455518911 1066403380 /nfs/dbraw/zinc/40/33/80/1066403380.db2.gz SLQBEABTYMZQNT-ICSRJNTNSA-N 0 0 450.501 4.934 20 0 JJADRN Cc1c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001455520717 1066403407 /nfs/dbraw/zinc/40/34/07/1066403407.db2.gz NUTICSXDYYNBAA-GAJHUEQPSA-N 0 0 478.515 4.529 20 0 JJADRN CCc1c(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001444086157 1066403429 /nfs/dbraw/zinc/40/34/29/1066403429.db2.gz AYSIZVGHKXLIOT-HNNXBMFYSA-N 0 0 459.019 4.569 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455524012 1066403938 /nfs/dbraw/zinc/40/39/38/1066403938.db2.gz YPODWIJFXOPXAM-OYHNWAKOSA-N 0 0 467.404 4.565 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545964373 1066404666 /nfs/dbraw/zinc/40/46/66/1066404666.db2.gz CQACMKFNAGKWIJ-FUHWJXTLSA-N 0 0 496.027 4.904 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001361134056 1066404683 /nfs/dbraw/zinc/40/46/83/1066404683.db2.gz GGTKHMVQSQAKFQ-NZQKXSOJSA-N 0 0 454.640 4.673 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001361133757 1066404848 /nfs/dbraw/zinc/40/48/48/1066404848.db2.gz AFLIBDWAYMOXCB-LVCYWYKZSA-N 0 0 459.516 4.532 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545964372 1066404821 /nfs/dbraw/zinc/40/48/21/1066404821.db2.gz CQACMKFNAGKWIJ-AEFFLSMTSA-N 0 0 496.027 4.904 20 0 JJADRN CCOc1cc(C(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc(OCC)c1OCC ZINC001455531894 1066405038 /nfs/dbraw/zinc/40/50/38/1066405038.db2.gz HFLJIHRHGWSMSC-QFQXNSOFSA-N 0 0 476.614 4.792 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccoc2)cc1 ZINC001361134148 1066405527 /nfs/dbraw/zinc/40/55/27/1066405527.db2.gz GZDRFDPASRFMMO-OFNKIYASSA-N 0 0 495.624 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001444096256 1066406355 /nfs/dbraw/zinc/40/63/55/1066406355.db2.gz CMIHSNCPJLAOHJ-OKXSDPAFSA-N 0 0 458.571 4.755 20 0 JJADRN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)C1(C)C ZINC001444098935 1066406381 /nfs/dbraw/zinc/40/63/81/1066406381.db2.gz CPEBSOHIPXEHEF-BWKNWUBXSA-N 0 0 452.570 4.695 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(NCc3cncs3)c2)CC1 ZINC001444096970 1066406419 /nfs/dbraw/zinc/40/64/19/1066406419.db2.gz VNJAWIXAJWPLSY-HSZRJFAPSA-N 0 0 456.562 4.943 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134593 1066406705 /nfs/dbraw/zinc/40/67/05/1066406705.db2.gz FLOQIVMCOLHMHY-JAXLGGSGSA-N 0 0 469.630 4.593 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 ZINC001361134586 1066406796 /nfs/dbraw/zinc/40/67/96/1066406796.db2.gz FHRPIYGACYLOQS-QYZOEREBSA-N 0 0 469.680 4.712 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC001444103794 1066406905 /nfs/dbraw/zinc/40/69/05/1066406905.db2.gz XGZCHHQWKCYJMH-UZUQRXQVSA-N 0 0 457.412 4.944 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)CC2)N2CCOCC2)cc1 ZINC001361134964 1066407671 /nfs/dbraw/zinc/40/76/71/1066407671.db2.gz IRIGRHURTLNHDN-OAQYLSRUSA-N 0 0 465.564 4.562 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N[C@@H](C)c3cc(Cl)cc(Cl)c3F)c2)cc1 ZINC001455541604 1066407749 /nfs/dbraw/zinc/40/77/49/1066407749.db2.gz IKXGMCSDMYAZPY-ZDUSSCGKSA-N 0 0 455.338 4.970 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ccc(C)cc3)CC2)oc1C ZINC001361134920 1066407765 /nfs/dbraw/zinc/40/77/65/1066407765.db2.gz NZPRPELIPQIYDL-HXUWFJFHSA-N 0 0 464.658 4.906 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361135064 1066408642 /nfs/dbraw/zinc/40/86/42/1066408642.db2.gz OVZHQCJGXQHJIH-OPYAIIAOSA-N 0 0 459.516 4.532 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001444117405 1066408726 /nfs/dbraw/zinc/40/87/26/1066408726.db2.gz LUMXMXWVTUGTGH-CYBMUJFWSA-N 0 0 450.848 4.637 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1Cl ZINC001444120159 1066408797 /nfs/dbraw/zinc/40/87/97/1066408797.db2.gz JZKFZUGVLBHQCM-GOSISDBHSA-N 0 0 456.942 4.672 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC001444117420 1066408857 /nfs/dbraw/zinc/40/88/57/1066408857.db2.gz FNCQANWHNKUCKC-DNVCBOLYSA-N 0 0 453.576 4.993 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1OCC ZINC001455557489 1066409261 /nfs/dbraw/zinc/40/92/61/1066409261.db2.gz BSUQRXRUYRVTAW-ZWKOTPCHSA-N 0 0 451.991 4.967 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC[C@H]2C)cc1 ZINC001361135558 1066409339 /nfs/dbraw/zinc/40/93/39/1066409339.db2.gz RZCYRVDFOFSSFU-LEWJYISDSA-N 0 0 483.657 4.730 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545964515 1066409534 /nfs/dbraw/zinc/40/95/34/1066409534.db2.gz FZGBTNALRGEXSR-UZUQRXQVSA-N 0 0 493.077 4.630 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3C)c2)cc1 ZINC001455545848 1066409594 /nfs/dbraw/zinc/40/95/94/1066409594.db2.gz PPDIJTDNWNJJFR-KRWDZBQOSA-N 0 0 456.539 4.825 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001361136197 1066410284 /nfs/dbraw/zinc/41/02/84/1066410284.db2.gz VWFUAUSBZYYZOD-LVCYWYKZSA-N 0 0 459.516 4.532 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)ccc2C)c1 ZINC001444126452 1066410261 /nfs/dbraw/zinc/41/02/61/1066410261.db2.gz WRSKCAFHEJUYFW-OFNKIYASSA-N 0 0 458.624 4.675 20 0 JJADRN C[C@@H](CC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC001455560588 1066410383 /nfs/dbraw/zinc/41/03/83/1066410383.db2.gz SMUSNEWSRMLONZ-RRQGHBQHSA-N 0 0 454.380 4.908 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC001361136324 1066410327 /nfs/dbraw/zinc/41/03/27/1066410327.db2.gz OLVVYFQOQZVHLJ-UHFFFAOYSA-N 0 0 454.748 4.753 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1ccccc1 ZINC001455561570 1066410726 /nfs/dbraw/zinc/41/07/26/1066410726.db2.gz ZUIKKWNEWKFCJB-BDTNDASRSA-N 0 0 472.626 4.859 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)N3C[C@@H](C(=O)OC(C)(C)C)[C@H](C4CC4)C3)cc2)cc1 ZINC001455560902 1066410820 /nfs/dbraw/zinc/41/08/20/1066410820.db2.gz ZYUVEOUBRZXCBD-BJKOFHAPSA-N 0 0 451.563 4.992 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)c1nc(-c2cnccn2)no1 ZINC001444130520 1066410934 /nfs/dbraw/zinc/41/09/34/1066410934.db2.gz BIIRCLAVGCAGGJ-UHFFFAOYSA-N 0 0 457.534 4.693 20 0 JJADRN Cc1cc(C(=O)Nc2cc(I)cc(C(F)(F)F)c2C)c(N)cc1F ZINC001455568728 1066411731 /nfs/dbraw/zinc/41/17/31/1066411731.db2.gz NSRLEQCHADQNHG-UHFFFAOYSA-N 0 0 452.189 4.900 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2cc(I)cc(C(F)(F)F)c2C)c(=O)[nH]1 ZINC001455568351 1066411775 /nfs/dbraw/zinc/41/17/75/1066411775.db2.gz KBGXPHJABAJVEX-UHFFFAOYSA-N 0 0 450.198 4.588 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)Nc1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC001455567844 1066411884 /nfs/dbraw/zinc/41/18/84/1066411884.db2.gz GEPABJQTVQOOMR-NRFANRHFSA-N 0 0 452.595 4.687 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Br)cs2)cc1 ZINC001361136798 1066411746 /nfs/dbraw/zinc/41/17/46/1066411746.db2.gz ZSGCCDCVFMSDCM-KXBFYZLASA-N 0 0 488.455 4.802 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361136778 1066411821 /nfs/dbraw/zinc/41/18/21/1066411821.db2.gz ZJGPXYYZTSUIRE-URVUXULASA-N 0 0 491.640 4.587 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)cc1 ZINC001361137233 1066412304 /nfs/dbraw/zinc/41/23/04/1066412304.db2.gz ZEXOOLCECBZLBQ-KZKAQZJJSA-N 0 0 483.657 4.776 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)cc1C ZINC001444134651 1066412269 /nfs/dbraw/zinc/41/22/69/1066412269.db2.gz HHDZNGLATLPBQL-UHFFFAOYSA-N 0 0 459.590 4.695 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCSC2)C1)OC ZINC001545964756 1066412400 /nfs/dbraw/zinc/41/24/00/1066412400.db2.gz JRXIPCAKOGELCM-QRWLVFNGSA-N 0 0 469.424 4.605 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545964802 1066413167 /nfs/dbraw/zinc/41/31/67/1066413167.db2.gz KKFFNLKECUXUNM-PZJWPPBQSA-N 0 0 483.016 4.582 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545964781 1066413215 /nfs/dbraw/zinc/41/32/15/1066413215.db2.gz JZCCKPZODFNGHR-ZWKOTPCHSA-N 0 0 494.036 4.526 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455585556 1066413168 /nfs/dbraw/zinc/41/31/68/1066413168.db2.gz QWGGBXANPOYUOV-LJQANCHMSA-N 0 0 455.640 4.613 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)Nc1nc2c(cccc2Br)[nH]1 ZINC001455585268 1066413231 /nfs/dbraw/zinc/41/32/31/1066413231.db2.gz JGCMTEZZHSSVTM-UHFFFAOYSA-N 0 0 452.284 4.629 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc(C4N=NC(=S)O4)cc3)CCCCC2)cc1OC ZINC001444140154 1066413802 /nfs/dbraw/zinc/41/38/02/1066413802.db2.gz ZGMCVUVNKFDABO-UHFFFAOYSA-N 0 0 453.564 4.674 20 0 JJADRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)c1ccc(Cl)s1 ZINC001444139325 1066413856 /nfs/dbraw/zinc/41/38/56/1066413856.db2.gz LKDZNZMFAWEYOK-QGZVFWFLSA-N 0 0 452.985 4.663 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCSC[C@H]1c1ccccc1 ZINC001444138595 1066413997 /nfs/dbraw/zinc/41/39/97/1066413997.db2.gz PMAQUNOVIXMYIT-SIBVEZHUSA-N 0 0 452.439 4.654 20 0 JJADRN Cn1nc(C(=O)NCc2cc(Br)c3ccccc3c2)cc1NC(=O)OC(C)(C)C ZINC001455587105 1066413927 /nfs/dbraw/zinc/41/39/27/1066413927.db2.gz VLOXBIVYLLBOEW-UHFFFAOYSA-N 0 0 459.344 4.613 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC001361139313 1066414414 /nfs/dbraw/zinc/41/44/14/1066414414.db2.gz ZUFZUYKNDZYMEL-UHFFFAOYSA-N 0 0 451.544 4.779 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001444140480 1066414538 /nfs/dbraw/zinc/41/45/38/1066414538.db2.gz RURZKGIWOJJYPI-BBRMVZONSA-N 0 0 451.445 4.992 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1-c1cccnc1 ZINC001455600444 1066414711 /nfs/dbraw/zinc/41/47/11/1066414711.db2.gz RJQUWOVAMUVSMK-UHFFFAOYSA-N 0 0 450.296 4.982 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001545964923 1066415596 /nfs/dbraw/zinc/41/55/96/1066415596.db2.gz MMFVKKPEKYYOMC-YLJYHZDGSA-N 0 0 473.980 4.853 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](n2cc(C)cn2)C1)OC ZINC001545964905 1066415645 /nfs/dbraw/zinc/41/56/45/1066415645.db2.gz MCKIHDPTMJSILB-ZWKOTPCHSA-N 0 0 491.409 4.618 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)C[C@@H]21 ZINC001546074223 1066415791 /nfs/dbraw/zinc/41/57/91/1066415791.db2.gz LFSVYVJBTKAQQJ-XDWAVFMPSA-N 0 0 479.662 4.612 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1)OC ZINC001545964972 1066416125 /nfs/dbraw/zinc/41/61/25/1066416125.db2.gz NIAMHEVNCRTPKF-RTWAWAEBSA-N 0 0 455.990 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1nc(-c2ccccc2)c[nH]1)c1cccc(Cl)c1 ZINC001455621788 1066416500 /nfs/dbraw/zinc/41/65/00/1066416500.db2.gz WQCJGZCUEYZSDV-NRFANRHFSA-N 0 0 454.958 4.655 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCc1nc(-c2ccccc2)c[nH]1 ZINC001455621849 1066416535 /nfs/dbraw/zinc/41/65/35/1066416535.db2.gz XPTZIXTZCDSKAB-UHFFFAOYSA-N 0 0 451.324 4.775 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2)cc1 ZINC001444145676 1066417161 /nfs/dbraw/zinc/41/71/61/1066417161.db2.gz IDDCHKJQYKRTDP-BJKOFHAPSA-N 0 0 464.949 4.900 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1OCC ZINC001444145678 1066417243 /nfs/dbraw/zinc/41/72/43/1066417243.db2.gz LGIRSIXJGPDDAQ-QGZVFWFLSA-N 0 0 453.023 4.932 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001546074439 1066417329 /nfs/dbraw/zinc/41/73/29/1066417329.db2.gz QSRSGAKCBJMOOD-WDSOQIARSA-N 0 0 456.612 4.961 20 0 JJADRN CC1=C(C)C[C@@](C)(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001455644017 1066417917 /nfs/dbraw/zinc/41/79/17/1066417917.db2.gz FCKRZMMVFWAMIV-MHZLTWQESA-N 0 0 455.643 4.882 20 0 JJADRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001455637120 1066418054 /nfs/dbraw/zinc/41/80/54/1066418054.db2.gz YHYDOBSVAMQYLD-UHFFFAOYSA-N 0 0 451.475 4.525 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@H]3CCCc4sccc43)c2)cc1 ZINC001444148812 1066418082 /nfs/dbraw/zinc/41/80/82/1066418082.db2.gz OJUIPJPWQNUZRA-QFIPXVFZSA-N 0 0 450.560 4.624 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965121 1066418120 /nfs/dbraw/zinc/41/81/20/1066418120.db2.gz QHGOXJQNBMJHKQ-GOEBONIOSA-N 0 0 484.428 4.780 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CCC2=O)c1 ZINC001361140596 1066418802 /nfs/dbraw/zinc/41/88/02/1066418802.db2.gz BUIAQHBDOMLFAC-UHFFFAOYSA-N 0 0 451.523 4.763 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001444151405 1066418844 /nfs/dbraw/zinc/41/88/44/1066418844.db2.gz DGOSOJWDPIFKRI-WMZOPIPTSA-N 0 0 456.352 4.759 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NC3(CNC(=O)OC(C)(C)C)CCCC3)cc2s1 ZINC001444149946 1066418864 /nfs/dbraw/zinc/41/88/64/1066418864.db2.gz OPIMNAQDQWTCKJ-UHFFFAOYSA-N 0 0 452.646 4.771 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001455646275 1066419080 /nfs/dbraw/zinc/41/90/80/1066419080.db2.gz CZDBPMXKJAAESW-MWTRTKDXSA-N 0 0 456.514 4.989 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)c2c1C ZINC001455649531 1066419557 /nfs/dbraw/zinc/41/95/57/1066419557.db2.gz ORRLWQDGVVURNN-RHSMWYFYSA-N 0 0 478.684 4.800 20 0 JJADRN C[C@@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455648884 1066419617 /nfs/dbraw/zinc/41/96/17/1066419617.db2.gz NWZIBOYYELBISP-JSXRDJHFSA-N 0 0 481.678 4.669 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)C[C@@H]1CC ZINC001455650402 1066419666 /nfs/dbraw/zinc/41/96/66/1066419666.db2.gz KLYGCKWCZIIVTD-CCLHPLFOSA-N 0 0 479.552 4.610 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C[C@@H]1CC ZINC001455651091 1066419695 /nfs/dbraw/zinc/41/96/95/1066419695.db2.gz PQGCBKJESYGJGM-BXKMTCNYSA-N 0 0 455.555 4.609 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3cc(C(F)(F)F)ccn3)C[C@H]21 ZINC001546074734 1066420256 /nfs/dbraw/zinc/42/02/56/1066420256.db2.gz YWTZYQCEZJJILU-DJIMGWMZSA-N 0 0 455.521 4.530 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)C[C@@H]1CC ZINC001455651278 1066420365 /nfs/dbraw/zinc/42/03/65/1066420365.db2.gz RLENGMJQHPXAFC-HFJWLAOPSA-N 0 0 466.557 4.741 20 0 JJADRN O=C(NCCSCCOc1cccc(Br)c1)c1ccnc(Cl)c1Cl ZINC001444156225 1066420384 /nfs/dbraw/zinc/42/03/84/1066420384.db2.gz NQCMIIRQCINCRV-UHFFFAOYSA-N 0 0 450.185 4.693 20 0 JJADRN CCOC(=O)Cc1csc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)n1 ZINC001455662262 1066420832 /nfs/dbraw/zinc/42/08/32/1066420832.db2.gz QACPBFBLADJJQY-QFIPXVFZSA-N 0 0 458.967 4.647 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)ccc1Br)c1cc(O)cc(Br)c1 ZINC001455652616 1066420992 /nfs/dbraw/zinc/42/09/92/1066420992.db2.gz WRBRTHURSVZXFB-UHFFFAOYSA-N 0 0 453.052 4.866 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC001361141699 1066421847 /nfs/dbraw/zinc/42/18/47/1066421847.db2.gz QRAVDEOGJDTJSH-GFCCVEGCSA-N 0 0 450.370 4.896 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001444161078 1066421935 /nfs/dbraw/zinc/42/19/35/1066421935.db2.gz BZAPOLUVSSSDAW-VAMGGRTRSA-N 0 0 456.656 4.620 20 0 JJADRN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(C)n1CC(F)(F)F ZINC001444160783 1066421971 /nfs/dbraw/zinc/42/19/71/1066421971.db2.gz BADLUUTUUQOILB-UHFFFAOYSA-N 0 0 459.871 4.951 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1cccc(CSCc2ccccc2)c1 ZINC001444161610 1066422562 /nfs/dbraw/zinc/42/25/62/1066422562.db2.gz YPABRDOSYVYONF-QNWVGRARSA-N 0 0 455.649 4.784 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1cc(C)ccc1C ZINC001444164591 1066423382 /nfs/dbraw/zinc/42/33/82/1066423382.db2.gz APYBGYQWUIBTQX-LJQANCHMSA-N 0 0 453.546 4.936 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142358 1066423653 /nfs/dbraw/zinc/42/36/53/1066423653.db2.gz YEITVNFJIJXDQS-OAQYLSRUSA-N 0 0 455.647 4.733 20 0 JJADRN CCc1ccccc1CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444166248 1066424154 /nfs/dbraw/zinc/42/41/54/1066424154.db2.gz DDYILUWTMUCYQD-FQEVSTJZSA-N 0 0 454.368 4.892 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444167085 1066424176 /nfs/dbraw/zinc/42/41/76/1066424176.db2.gz UDWDCPAJWOZQCF-OAQYLSRUSA-N 0 0 457.412 4.967 20 0 JJADRN CCc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444166250 1066424252 /nfs/dbraw/zinc/42/42/52/1066424252.db2.gz DDYILUWTMUCYQD-HXUWFJFHSA-N 0 0 454.368 4.892 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c(O)c1C ZINC001444167020 1066424279 /nfs/dbraw/zinc/42/42/79/1066424279.db2.gz TVYPCRLZKBJYPU-UHFFFAOYSA-N 0 0 453.336 4.954 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@@H]1c2ccccc2OC[C@@H]1F)NC(=O)OC(C)(C)C ZINC001455705980 1066424692 /nfs/dbraw/zinc/42/46/92/1066424692.db2.gz HATNQXNEPDEIJR-YCRNBWNJSA-N 0 0 458.530 4.629 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1 ZINC001361144108 1066425666 /nfs/dbraw/zinc/42/56/66/1066425666.db2.gz IGQZAHODEWACKC-UHFFFAOYSA-N 0 0 453.922 4.823 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2CCSC(C)C)c1 ZINC001361144403 1066426188 /nfs/dbraw/zinc/42/61/88/1066426188.db2.gz HEWHYWPJROBCMS-QFIPXVFZSA-N 0 0 495.697 4.511 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)CC2)c1 ZINC001361144375 1066426290 /nfs/dbraw/zinc/42/62/90/1066426290.db2.gz GHXDIVDWKUWUOI-UHFFFAOYSA-N 0 0 490.599 4.503 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361144131 1066426319 /nfs/dbraw/zinc/42/63/19/1066426319.db2.gz CWILBAMUCYGTQN-CLOONOSVSA-N 0 0 450.539 4.765 20 0 JJADRN CCOC(=O)C(C)(C)CC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001444178947 1066426333 /nfs/dbraw/zinc/42/63/33/1066426333.db2.gz WYDYYDCQNUJAEB-UHFFFAOYSA-N 0 0 450.457 4.553 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC001444182440 1066426972 /nfs/dbraw/zinc/42/69/72/1066426972.db2.gz WBGJUFPIUJRFON-UHFFFAOYSA-N 0 0 450.866 4.685 20 0 JJADRN O=C(NCc1noc(-c2ccco2)n1)c1ccccc1OCc1cccc(Br)c1 ZINC001455726885 1066427323 /nfs/dbraw/zinc/42/73/23/1066427323.db2.gz HCQBYNDTHZJDJZ-UHFFFAOYSA-N 0 0 454.280 4.601 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001546075375 1066427536 /nfs/dbraw/zinc/42/75/36/1066427536.db2.gz MZLACBJHDOVSPT-QMHKHESXSA-N 0 0 462.664 4.516 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546075347 1066427588 /nfs/dbraw/zinc/42/75/88/1066427588.db2.gz MHYMPQYKPCAVAQ-HSZRJFAPSA-N 0 0 481.563 4.794 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)OC ZINC001545965590 1066427546 /nfs/dbraw/zinc/42/75/46/1066427546.db2.gz ZYQYNPOKIZICCY-CDHQVMDDSA-N 0 0 459.953 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCC(C)CC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361145477 1066428141 /nfs/dbraw/zinc/42/81/41/1066428141.db2.gz YUBLWTXRNIORSQ-UHFFFAOYSA-N 0 0 467.580 4.983 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C ZINC001444203993 1066428293 /nfs/dbraw/zinc/42/82/93/1066428293.db2.gz BVMKCUGUMZTEAY-UHFFFAOYSA-N 0 0 458.967 4.696 20 0 JJADRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1c(C)nn(Cc3ccccc3Cl)c1C)C(=O)N2 ZINC001444196288 1066428307 /nfs/dbraw/zinc/42/83/07/1066428307.db2.gz JYXOWHUACZQANY-IBGZPJMESA-N 0 0 450.970 4.620 20 0 JJADRN O=C(NCCc1ncc[nH]1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001444202353 1066428360 /nfs/dbraw/zinc/42/83/60/1066428360.db2.gz RMTUNTPCIQWROS-UHFFFAOYSA-N 0 0 453.618 4.651 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2OC)C1 ZINC001546075579 1066428304 /nfs/dbraw/zinc/42/83/04/1066428304.db2.gz QMZWCNCPIRMVMK-DEOSSOPVSA-N 0 0 455.990 4.609 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361145548 1066428799 /nfs/dbraw/zinc/42/87/99/1066428799.db2.gz ALZRCBPJEOICFF-ASPBEGMCSA-N 0 0 489.711 4.718 20 0 JJADRN O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(Oc2ccccc2Cl)cc1 ZINC001455768033 1066429153 /nfs/dbraw/zinc/42/91/53/1066429153.db2.gz QQKBIZVJUCNZLM-CQSZACIVSA-N 0 0 450.848 4.779 20 0 JJADRN O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001455774952 1066429784 /nfs/dbraw/zinc/42/97/84/1066429784.db2.gz ZKZVMNOSDBISEJ-ZDUSSCGKSA-N 0 0 458.362 4.612 20 0 JJADRN CCCCCCOc1ccc(CC(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)cc1 ZINC001455769767 1066429911 /nfs/dbraw/zinc/42/99/11/1066429911.db2.gz NSNQIKXLUHSWEK-SFHVURJKSA-N 0 0 452.521 4.563 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)C)n2CCc2cnc3c(Cl)cnn3c2)c1 ZINC001361145915 1066430076 /nfs/dbraw/zinc/43/00/76/1066430076.db2.gz MTSNCFDJRXFQPF-UHFFFAOYSA-N 0 0 468.005 4.505 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)ccc1F ZINC001455784668 1066430756 /nfs/dbraw/zinc/43/07/56/1066430756.db2.gz CPBYUSZDMHMRKC-UHFFFAOYSA-N 0 0 456.514 4.757 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N3CC[C@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC001455789362 1066430844 /nfs/dbraw/zinc/43/08/44/1066430844.db2.gz NMSMJKQQTXDBDZ-NRFANRHFSA-N 0 0 455.496 4.535 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc2cccnc2c1 ZINC001455792226 1066432119 /nfs/dbraw/zinc/43/21/19/1066432119.db2.gz MAGJPKKFMFYIIV-UHFFFAOYSA-N 0 0 453.970 4.984 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)CO2 ZINC001455792181 1066432369 /nfs/dbraw/zinc/43/23/69/1066432369.db2.gz LEECBONORYYFEI-OAQYLSRUSA-N 0 0 458.986 4.986 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1 ZINC001444239059 1066432410 /nfs/dbraw/zinc/43/24/10/1066432410.db2.gz LQJUILMGXJTOTJ-MRXNPFEDSA-N 0 0 457.397 4.966 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001361147595 1066432780 /nfs/dbraw/zinc/43/27/80/1066432780.db2.gz NKCNJRYXBBEVSM-JOCHJYFZSA-N 0 0 454.368 4.628 20 0 JJADRN C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc(F)cc1 ZINC001361147725 1066432801 /nfs/dbraw/zinc/43/28/01/1066432801.db2.gz QABOIQNWTRVMGE-UZUQRXQVSA-N 0 0 454.929 4.924 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CC3)n2Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001361148122 1066432863 /nfs/dbraw/zinc/43/28/63/1066432863.db2.gz ANVHMMRLKBSXKU-UHFFFAOYSA-N 0 0 475.515 4.705 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)C1 ZINC001444242983 1066433002 /nfs/dbraw/zinc/43/30/02/1066433002.db2.gz BIPKIZZVWNXRIF-NVXWUHKLSA-N 0 0 468.516 4.609 20 0 JJADRN C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc(F)cc1 ZINC001361147722 1066432969 /nfs/dbraw/zinc/43/29/69/1066432969.db2.gz QABOIQNWTRVMGE-GAJHUEQPSA-N 0 0 454.929 4.924 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H]2C[C@@H]2C)c1 ZINC001361148228 1066433752 /nfs/dbraw/zinc/43/37/52/1066433752.db2.gz DZFJINNQAOXUQV-DLBZAZTESA-N 0 0 462.520 4.519 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)CCSc2ccnc3cc(Cl)ccc32)CCC1 ZINC001546076338 1066433749 /nfs/dbraw/zinc/43/37/49/1066433749.db2.gz LVZFMGWKDULWQD-UHFFFAOYSA-N 0 0 450.004 4.934 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C1 ZINC001455804783 1066433819 /nfs/dbraw/zinc/43/38/19/1066433819.db2.gz AJQZBNSMVBEOIK-CQSZACIVSA-N 0 0 450.457 4.747 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(Br)cc(Br)c1N ZINC001444246390 1066433842 /nfs/dbraw/zinc/43/38/42/1066433842.db2.gz HCDSCMWQHKCNRS-PWSUYJOCSA-N 0 0 456.153 4.951 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CNc2cccc(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444247331 1066434330 /nfs/dbraw/zinc/43/43/30/1066434330.db2.gz KGUHMXOHCPOIRN-DEOSSOPVSA-N 0 0 456.995 4.678 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361148276 1066434359 /nfs/dbraw/zinc/43/43/59/1066434359.db2.gz GCNTXXQNJPNGDW-OFVILXPXSA-N 0 0 478.641 4.742 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cscn3)n2CCC[C@H]2CCCCO2)c1 ZINC001361148402 1066435362 /nfs/dbraw/zinc/43/53/62/1066435362.db2.gz JNKXYSIVPAGBSN-OAQYLSRUSA-N 0 0 455.628 4.916 20 0 JJADRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(-c2ccco2)[nH]c1=O ZINC001444251752 1066435255 /nfs/dbraw/zinc/43/52/55/1066435255.db2.gz DZRYNOXUKDGLGT-UHFFFAOYSA-N 0 0 453.296 4.501 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccsc3)n2Cc2nccc(C(F)F)n2)c1 ZINC001361148447 1066435387 /nfs/dbraw/zinc/43/53/87/1066435387.db2.gz KUOKCVYOQFUQJT-UHFFFAOYSA-N 0 0 470.549 4.948 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC001444254709 1066435634 /nfs/dbraw/zinc/43/56/34/1066435634.db2.gz HVCGEAMIUQHGDU-FQEVSTJZSA-N 0 0 453.922 4.614 20 0 JJADRN C[C@@H]1CN(C(=O)CN(Cc2ccccc2)c2ccccc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001455811901 1066435919 /nfs/dbraw/zinc/43/59/19/1066435919.db2.gz BHDZFKHGIMLDQO-FYYLOGMGSA-N 0 0 451.611 4.703 20 0 JJADRN CN(C)[C@@H](CNC(=O)CCCCOc1ccc(Br)cc1)c1c(F)cccc1F ZINC001444252868 1066435764 /nfs/dbraw/zinc/43/57/64/1066435764.db2.gz ADQSGJKLRSGBGL-IBGZPJMESA-N 0 0 455.343 4.696 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)c2ccccc2Cl)c1 ZINC001444255960 1066435826 /nfs/dbraw/zinc/43/58/26/1066435826.db2.gz BWQHYGQHMVMDBA-JOCHJYFZSA-N 0 0 453.901 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC001444252642 1066435868 /nfs/dbraw/zinc/43/58/68/1066435868.db2.gz KCQAPFFAZLXIHI-KRWDZBQOSA-N 0 0 454.914 4.545 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccsc3)n2CCCN2CCCCCC2=O)c1 ZINC001361148763 1066436861 /nfs/dbraw/zinc/43/68/61/1066436861.db2.gz VYMDUEZYVJXTNJ-UHFFFAOYSA-N 0 0 481.666 4.965 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccon3)n2Cc2cccc(C(F)(F)F)n2)c1 ZINC001361148826 1066437421 /nfs/dbraw/zinc/43/74/21/1066437421.db2.gz YJUJJDPPDGSQTR-UHFFFAOYSA-N 0 0 472.471 4.560 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NC[C@@](C)(O)c3ccccc3)c12 ZINC001444260715 1066437603 /nfs/dbraw/zinc/43/76/03/1066437603.db2.gz HFJXCYHDVFBGAG-HSZRJFAPSA-N 0 0 455.436 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(O[C@H]3CC3(F)F)cc1)C2 ZINC001455816255 1066437652 /nfs/dbraw/zinc/43/76/52/1066437652.db2.gz HNZUZOQRNNKAPA-CVDCTZTESA-N 0 0 450.526 4.726 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NC[C@](C)(O)c3ccccc3)c12 ZINC001444260718 1066437750 /nfs/dbraw/zinc/43/77/50/1066437750.db2.gz HFJXCYHDVFBGAG-QHCPKHFHSA-N 0 0 455.436 4.855 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCN3CCOCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361148943 1066438255 /nfs/dbraw/zinc/43/82/55/1066438255.db2.gz CHWLUNUKVGDQSD-LEWJYISDSA-N 0 0 495.590 4.536 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1 ZINC001455821421 1066438342 /nfs/dbraw/zinc/43/83/42/1066438342.db2.gz FYTXTRZAOTXQOQ-HFJWLAOPSA-N 0 0 457.615 4.555 20 0 JJADRN CCCc1cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)n[nH]1 ZINC001444265054 1066438406 /nfs/dbraw/zinc/43/84/06/1066438406.db2.gz KHEZKZPIXOKARK-UHFFFAOYSA-N 0 0 456.959 4.646 20 0 JJADRN Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1S(=O)(=O)NCc1ccccc1 ZINC001444263049 1066438449 /nfs/dbraw/zinc/43/84/49/1066438449.db2.gz FLKJJIRXKZHPGB-JOCHJYFZSA-N 0 0 452.576 4.824 20 0 JJADRN Cc1cccc(Nc2cccc(NC(=O)C3=NOC4(CN(C(=O)OC(C)(C)C)C4)C3)c2C)c1 ZINC001455824817 1066438786 /nfs/dbraw/zinc/43/87/86/1066438786.db2.gz MKEJESODPYCVAD-UHFFFAOYSA-N 0 0 450.539 4.751 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCc3cnccn3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361149123 1066438808 /nfs/dbraw/zinc/43/88/08/1066438808.db2.gz JEFSGFNVZBBSOH-UHFFFAOYSA-N 0 0 477.638 4.571 20 0 JJADRN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001455822800 1066438952 /nfs/dbraw/zinc/43/89/52/1066438952.db2.gz DLXHOCHIOBCLQF-DJJJIMSYSA-N 0 0 454.398 4.823 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001444266436 1066438924 /nfs/dbraw/zinc/43/89/24/1066438924.db2.gz YRVYREFOTJYHIG-UHFFFAOYSA-N 0 0 452.530 4.598 20 0 JJADRN Cc1nn(CC(F)(F)F)cc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001444266121 1066439035 /nfs/dbraw/zinc/43/90/35/1066439035.db2.gz WIFAHUMVPBROQP-UHFFFAOYSA-N 0 0 457.431 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](Nc3ccccn3)CC1)C2 ZINC001455827928 1066439636 /nfs/dbraw/zinc/43/96/36/1066439636.db2.gz QHYKCFWOQRTDLX-YZIHRLCOSA-N 0 0 456.631 4.692 20 0 JJADRN CCC(CC)(CC)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC ZINC001444267903 1066439779 /nfs/dbraw/zinc/43/97/79/1066439779.db2.gz MBWMSYPNLHFWPP-UHFFFAOYSA-N 0 0 453.608 4.631 20 0 JJADRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccccc1NCCc1ccc(Cl)cc1 ZINC001455830376 1066439722 /nfs/dbraw/zinc/43/97/22/1066439722.db2.gz FODIDYBIELOFOS-UHFFFAOYSA-N 0 0 450.892 4.948 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)OC3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361149435 1066439983 /nfs/dbraw/zinc/43/99/83/1066439983.db2.gz URGQRGRWFBIBDR-IBGZPJMESA-N 0 0 481.563 4.669 20 0 JJADRN O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001444270224 1066440398 /nfs/dbraw/zinc/44/03/98/1066440398.db2.gz QRXLFTFIPKZWHZ-UHFFFAOYSA-N 0 0 452.913 4.543 20 0 JJADRN O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001361150146 1066440772 /nfs/dbraw/zinc/44/07/72/1066440772.db2.gz VOIIOOIPYJYEEJ-GOSISDBHSA-N 0 0 455.396 4.820 20 0 JJADRN CC(=O)N1CCc2cc(C(=O)NCC3(c4cccc(Br)c4)CCCCC3)ccc21 ZINC001361150248 1066440792 /nfs/dbraw/zinc/44/07/92/1066440792.db2.gz ZCDJTGIFCLXRCO-UHFFFAOYSA-N 0 0 455.396 4.990 20 0 JJADRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(I)c(O)c1 ZINC001444270817 1066441203 /nfs/dbraw/zinc/44/12/03/1066441203.db2.gz BWZOWXNUPHZWRK-UHFFFAOYSA-N 0 0 459.283 4.966 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361151046 1066441273 /nfs/dbraw/zinc/44/12/73/1066441273.db2.gz APVOZVCXNJYABZ-IFMALSPDSA-N 0 0 481.641 4.886 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)n1 ZINC001444275133 1066442104 /nfs/dbraw/zinc/44/21/04/1066442104.db2.gz KZHHOBFAVGEXIO-MRXNPFEDSA-N 0 0 454.456 4.580 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCCCC2=O)C1 ZINC001546076952 1066442637 /nfs/dbraw/zinc/44/26/37/1066442637.db2.gz DIYXZRBYMOYWHO-MHZLTWQESA-N 0 0 467.658 4.893 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001361151471 1066442674 /nfs/dbraw/zinc/44/26/74/1066442674.db2.gz BFPUFPDXHIWNMH-UHFFFAOYSA-N 0 0 453.631 4.501 20 0 JJADRN Cc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)S[C@@H](C)C2)sc1C ZINC001361151364 1066442694 /nfs/dbraw/zinc/44/26/94/1066442694.db2.gz HYWZZZCBOJNVDG-IRXDYDNUSA-N 0 0 457.669 4.926 20 0 JJADRN Cc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)sc1C ZINC001361151362 1066442699 /nfs/dbraw/zinc/44/26/99/1066442699.db2.gz HYWZZZCBOJNVDG-CALCHBBNSA-N 0 0 457.669 4.926 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCCCC2=O)C1 ZINC001546076951 1066442788 /nfs/dbraw/zinc/44/27/88/1066442788.db2.gz DIYXZRBYMOYWHO-HHHXNRCGSA-N 0 0 467.658 4.893 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)C2)C1 ZINC001455868869 1066443279 /nfs/dbraw/zinc/44/32/79/1066443279.db2.gz DCVWXDQWGWKKRK-SDVJIVMOSA-N 0 0 462.578 4.747 20 0 JJADRN Cc1c(Br)c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)nn1C ZINC001444284390 1066443368 /nfs/dbraw/zinc/44/33/68/1066443368.db2.gz UOCDQHWIBMIJTB-UHFFFAOYSA-N 0 0 454.250 4.901 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001361151784 1066443802 /nfs/dbraw/zinc/44/38/02/1066443802.db2.gz MCMALFYLAUERTE-UHFFFAOYSA-N 0 0 474.531 4.571 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C12CCCCC2 ZINC001444297374 1066444634 /nfs/dbraw/zinc/44/46/34/1066444634.db2.gz XUUBKKHOTNDAHF-BJKOFHAPSA-N 0 0 455.620 4.827 20 0 JJADRN CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 ZINC001455877960 1066444693 /nfs/dbraw/zinc/44/46/93/1066444693.db2.gz NOSOMLUEFDXBBI-BZUAXINKSA-N 0 0 479.337 4.857 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361151974 1066444789 /nfs/dbraw/zinc/44/47/89/1066444789.db2.gz NPNAZXWXGVHMPT-JPYJTQIMSA-N 0 0 464.532 4.724 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCOc2ncccc2F)c1 ZINC001361152005 1066445356 /nfs/dbraw/zinc/44/53/56/1066445356.db2.gz ODRWKAXRMICNMC-LJQANCHMSA-N 0 0 467.589 4.959 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@@H](C4CC4)C3)n2CCSCC(C)C)c1 ZINC001361152216 1066445989 /nfs/dbraw/zinc/44/59/89/1066445989.db2.gz QUWJDCNDLVWBAK-NZQKXSOJSA-N 0 0 458.672 4.867 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CCSCC(C)C)c1 ZINC001361152217 1066446012 /nfs/dbraw/zinc/44/60/12/1066446012.db2.gz QUWJDCNDLVWBAK-OFNKIYASSA-N 0 0 458.672 4.867 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001444306132 1066446097 /nfs/dbraw/zinc/44/60/97/1066446097.db2.gz ZWDOAGCUGSSAMF-CBQOVEMMSA-N 0 0 459.999 4.583 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC(=O)N2CCCCC2)c1 ZINC001361152220 1066446057 /nfs/dbraw/zinc/44/60/57/1066446057.db2.gz JMESCWQOLKHOBL-JOCHJYFZSA-N 0 0 467.658 4.749 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361152406 1066446451 /nfs/dbraw/zinc/44/64/51/1066446451.db2.gz SRFQAUATTRCLJX-ZVDOUQERSA-N 0 0 479.591 4.840 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361152524 1066446603 /nfs/dbraw/zinc/44/66/03/1066446603.db2.gz UMLKCRKCXFWMGL-UHFFFAOYSA-N 0 0 463.529 4.958 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)[C@H](C)c3ccc(I)cc3)C2)n1 ZINC001455889026 1066446673 /nfs/dbraw/zinc/44/66/73/1066446673.db2.gz OYLKPKAJDLJUOF-HUUCEWRRSA-N 0 0 454.377 4.641 20 0 JJADRN Nc1cc(C(F)(F)F)ccc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001444314640 1066446676 /nfs/dbraw/zinc/44/66/76/1066446676.db2.gz YOAVKYZITCLRQK-UHFFFAOYSA-N 0 0 458.156 4.639 20 0 JJADRN COCCC1(C(=O)Nc2cc(I)ccc2Br)CCCC1 ZINC001455970969 1066463801 /nfs/dbraw/zinc/46/38/01/1066463801.db2.gz SILMNNJCZXYFSG-UHFFFAOYSA-N 0 0 452.130 4.589 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1 ZINC001361152769 1066447235 /nfs/dbraw/zinc/44/72/35/1066447235.db2.gz WPMWQBOYEMRTKY-UHFFFAOYSA-N 0 0 486.485 4.867 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2)n1 ZINC001455894227 1066447208 /nfs/dbraw/zinc/44/72/08/1066447208.db2.gz ZXPYKUXYFAHPKZ-NHCUHLMSSA-N 0 0 457.640 4.759 20 0 JJADRN CCCN(C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444317075 1066447290 /nfs/dbraw/zinc/44/72/90/1066447290.db2.gz ACTDRCDWVBNIEO-YADHBBJMSA-N 0 0 451.567 4.630 20 0 JJADRN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC1CCOCC1 ZINC001444317534 1066447414 /nfs/dbraw/zinc/44/74/14/1066447414.db2.gz KLARXZQPNMJVPJ-QFIPXVFZSA-N 0 0 454.567 4.627 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCc2ccsc2)c1 ZINC001361153086 1066447959 /nfs/dbraw/zinc/44/79/59/1066447959.db2.gz ZRIJOSRAKICLMB-YLJYHZDGSA-N 0 0 480.556 4.934 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCC[C@@H](Cc2nccs2)C1 ZINC001455902810 1066447967 /nfs/dbraw/zinc/44/79/67/1066447967.db2.gz CZKZJRHWMBFELC-LBPRGKRZSA-N 0 0 450.333 4.795 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361153009 1066448013 /nfs/dbraw/zinc/44/80/13/1066448013.db2.gz UGDACDUAJSNZFW-OAQYLSRUSA-N 0 0 462.642 4.856 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1ccoc1C1(O)CCOCC1 ZINC001455901232 1066448019 /nfs/dbraw/zinc/44/80/19/1066448019.db2.gz IGPGQMBCHFOPBT-UHFFFAOYSA-N 0 0 451.519 4.659 20 0 JJADRN Cc1sc(S(N)(=O)=O)cc1C(=O)Nc1ccc(COc2cc(C)ccc2C(C)C)cc1 ZINC001444322144 1066448778 /nfs/dbraw/zinc/44/87/78/1066448778.db2.gz INUNRLHMUYVCBM-UHFFFAOYSA-N 0 0 458.605 4.967 20 0 JJADRN Cc1cn2nnc(C(=O)N(C)Cc3ccc(Cl)cc3Oc3ccc(Cl)cc3)c2c(=O)[nH]1 ZINC001455906804 1066448840 /nfs/dbraw/zinc/44/88/40/1066448840.db2.gz VWTUVMPUHLTGJQ-UHFFFAOYSA-N 0 0 458.305 4.510 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)cc1 ZINC001444324672 1066448836 /nfs/dbraw/zinc/44/88/36/1066448836.db2.gz SNJLTKNOZLGDFP-AWEZNQCLSA-N 0 0 459.490 4.514 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361153388 1066449243 /nfs/dbraw/zinc/44/92/43/1066449243.db2.gz YWEFYRRWSJWZKY-LJQANCHMSA-N 0 0 458.557 4.986 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cc2nccs2)C1)c1cccc(Cl)c1 ZINC001455909746 1066449136 /nfs/dbraw/zinc/44/91/36/1066449136.db2.gz VYQCHUSGKGQLHS-HNAYVOBHSA-N 0 0 450.004 4.844 20 0 JJADRN O=C(c1cc(C(F)(F)F)c[nH]c1=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001455909999 1066449191 /nfs/dbraw/zinc/44/91/91/1066449191.db2.gz CORGGZJSGOBQDO-UHFFFAOYSA-N 0 0 457.246 4.526 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](Cc2nccs2)C1)c1cccc(Cl)c1 ZINC001455909749 1066449247 /nfs/dbraw/zinc/44/92/47/1066449247.db2.gz VYQCHUSGKGQLHS-KXBFYZLASA-N 0 0 450.004 4.844 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@H]1C(F)(F)F)N1CCc2ccc(Br)c(F)c2C1 ZINC001455911767 1066450149 /nfs/dbraw/zinc/45/01/49/1066450149.db2.gz RDGXRDUZDGWERQ-GOSISDBHSA-N 0 0 456.233 4.880 20 0 JJADRN O=C(CCC(=O)c1ccc(I)cc1)NC1(c2cccc(Cl)c2)CC1 ZINC001444331885 1066450448 /nfs/dbraw/zinc/45/04/48/1066450448.db2.gz SQSAWRSKPGNXNI-UHFFFAOYSA-N 0 0 453.707 4.713 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c(OC)c1 ZINC001361154021 1066450351 /nfs/dbraw/zinc/45/03/51/1066450351.db2.gz YPFNFTZPZUFEOX-DJJJIMSYSA-N 0 0 457.832 4.557 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)O[C@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c(OC)c1 ZINC001361154020 1066450380 /nfs/dbraw/zinc/45/03/80/1066450380.db2.gz YPFNFTZPZUFEOX-BFUOFWGJSA-N 0 0 457.832 4.557 20 0 JJADRN CC(C)C(=O)N1CCC(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)CC1 ZINC001361153605 1066450466 /nfs/dbraw/zinc/45/04/66/1066450466.db2.gz KIHAMZXIJVLYEQ-HNNXBMFYSA-N 0 0 454.258 4.629 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H](CO)CCc2ccccc2)c1 ZINC001455914959 1066450495 /nfs/dbraw/zinc/45/04/95/1066450495.db2.gz RVVCMYLFSMSZOY-QHCPKHFHSA-N 0 0 455.558 4.580 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361154524 1066451072 /nfs/dbraw/zinc/45/10/72/1066451072.db2.gz BLWCEKBPWPCJOL-RCZVLFRGSA-N 0 0 470.658 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@H]2CCCO2)c1 ZINC001361154483 1066451126 /nfs/dbraw/zinc/45/11/26/1066451126.db2.gz AJBMVPKYOJCBFK-HSZRJFAPSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC[C@H]4CCOC4)CC3)n2CCC(C)C)c1 ZINC001361154575 1066451179 /nfs/dbraw/zinc/45/11/79/1066451179.db2.gz DCWQZMNTVGPQDF-QFIPXVFZSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H]2C[C@H]2C)c1 ZINC001361154912 1066451666 /nfs/dbraw/zinc/45/16/66/1066451666.db2.gz GTNZCHZXKHSJIV-WOJBJXKFSA-N 0 0 469.630 4.623 20 0 JJADRN O=C(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001444344035 1066451642 /nfs/dbraw/zinc/45/16/42/1066451642.db2.gz USLKDUKYVRHHBG-DEOSSOPVSA-N 0 0 451.950 4.775 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CC=CCO2)c1 ZINC001361155307 1066453772 /nfs/dbraw/zinc/45/37/72/1066453772.db2.gz AJQXNHYWAWBOSS-RTBURBONSA-N 0 0 450.505 4.598 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCc2ccc(Cl)s2)c1 ZINC001361155420 1066454183 /nfs/dbraw/zinc/45/41/83/1066454183.db2.gz CBNCOMWLHGYQOW-GOSISDBHSA-N 0 0 488.057 4.523 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(NCc2cnn(C)c2)cc1)Cc1cccc(Br)c1 ZINC001444357075 1066454371 /nfs/dbraw/zinc/45/43/71/1066454371.db2.gz DLSOCAXBIRGQPL-KRWDZBQOSA-N 0 0 455.400 4.793 20 0 JJADRN Cc1ccoc1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001361155516 1066455135 /nfs/dbraw/zinc/45/51/35/1066455135.db2.gz VVLRRWNZCVKVKR-NRFANRHFSA-N 0 0 495.624 4.775 20 0 JJADRN Cc1ccoc1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001361155522 1066455171 /nfs/dbraw/zinc/45/51/71/1066455171.db2.gz VVLRRWNZCVKVKR-OAQYLSRUSA-N 0 0 495.624 4.775 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)[C@@H](CC)c3ccncc3)c2)cc1 ZINC001444364586 1066455319 /nfs/dbraw/zinc/45/53/19/1066455319.db2.gz QDXBVCBNNSZWDP-QHCPKHFHSA-N 0 0 453.564 4.504 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN(C)CC(F)(F)F)C1 ZINC001546077768 1066455808 /nfs/dbraw/zinc/45/58/08/1066455808.db2.gz VUMXXSRAHMOKRL-QHCPKHFHSA-N 0 0 467.580 4.985 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)c2cccs2)c1 ZINC001361155837 1066456326 /nfs/dbraw/zinc/45/63/26/1066456326.db2.gz GXELUWZLJNZSFQ-FQEVSTJZSA-N 0 0 481.666 4.605 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001361155819 1066456371 /nfs/dbraw/zinc/45/63/71/1066456371.db2.gz ZSSDJDZWRBXKNE-SBUREZEXSA-N 0 0 465.425 4.924 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361155820 1066456380 /nfs/dbraw/zinc/45/63/80/1066456380.db2.gz ZSSDJDZWRBXKNE-UZUQRXQVSA-N 0 0 465.425 4.924 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc4scc(Br)c4c3)c2)cn1 ZINC001455940275 1066456388 /nfs/dbraw/zinc/45/63/88/1066456388.db2.gz OBRUPMUVAMTHKK-UHFFFAOYSA-N 0 0 456.321 4.869 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC001444389330 1066456677 /nfs/dbraw/zinc/45/66/77/1066456677.db2.gz LWBSCEYNLHYCJF-UHFFFAOYSA-N 0 0 456.514 4.536 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545967024 1066457342 /nfs/dbraw/zinc/45/73/42/1066457342.db2.gz OMLBOLZRTKTEFL-IBGZPJMESA-N 0 0 483.638 4.881 20 0 JJADRN COc1cc2cc(C(=O)NCCc3nc(-c4ccccc4)c(C)s3)[nH]c2c(OC)c1OC ZINC001444394428 1066457414 /nfs/dbraw/zinc/45/74/14/1066457414.db2.gz XVFSODCYKDRDPP-UHFFFAOYSA-N 0 0 451.548 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)CCSc1ccc(F)cc1)C(F)(F)F ZINC001455949988 1066458175 /nfs/dbraw/zinc/45/81/75/1066458175.db2.gz FWKGSLXVTHOXDX-LJQANCHMSA-N 0 0 450.498 4.756 20 0 JJADRN C/C(=C\C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 ZINC001455951686 1066458818 /nfs/dbraw/zinc/45/88/18/1066458818.db2.gz ZRSPERQMZRREKW-BUHFOSPRSA-N 0 0 454.851 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)c1cc(Cl)cc(Cl)c1N)C(F)(F)F ZINC001455951740 1066458984 /nfs/dbraw/zinc/45/89/84/1066458984.db2.gz SVRVMOCYICIMLD-KRWDZBQOSA-N 0 0 456.292 4.637 20 0 JJADRN Cc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001455955575 1066459245 /nfs/dbraw/zinc/45/92/45/1066459245.db2.gz DEJRKYLLRZGOIC-UHFFFAOYSA-N 0 0 458.362 4.717 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361156557 1066459333 /nfs/dbraw/zinc/45/93/33/1066459333.db2.gz YJFXAXFTNMZBOA-VHSZZVNMSA-N 0 0 470.658 4.809 20 0 JJADRN Cc1cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001455955555 1066459451 /nfs/dbraw/zinc/45/94/51/1066459451.db2.gz DBWXSEAQRSDTFC-UHFFFAOYSA-N 0 0 459.472 4.623 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545967073 1066459352 /nfs/dbraw/zinc/45/93/52/1066459352.db2.gz PMDCCMIXWYJIOT-SESVDKBCSA-N 0 0 487.645 4.508 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967091 1066459811 /nfs/dbraw/zinc/45/98/11/1066459811.db2.gz PQXKGOLRGBOGCZ-UYAOXDASSA-N 0 0 487.645 4.892 20 0 JJADRN O=C(Nc1ccc(COC2CCCC2)cc1)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001444410963 1066459870 /nfs/dbraw/zinc/45/98/70/1066459870.db2.gz QLOPMHFKEDASJG-UHFFFAOYSA-N 0 0 458.002 4.796 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001444409710 1066460018 /nfs/dbraw/zinc/46/00/18/1066460018.db2.gz NBRRHDFIYBMTND-OAQYLSRUSA-N 0 0 450.608 4.584 20 0 JJADRN Cc1cc(SCC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001361157362 1066460042 /nfs/dbraw/zinc/46/00/42/1066460042.db2.gz CGPWOJZLQWVCFO-HNNXBMFYSA-N 0 0 457.434 4.626 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361157410 1066460582 /nfs/dbraw/zinc/46/05/82/1066460582.db2.gz CWMVWTIIASIWJH-IBGZPJMESA-N 0 0 450.539 4.522 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC001455957087 1066460684 /nfs/dbraw/zinc/46/06/84/1066460684.db2.gz AYHPMFHNTKXAEQ-HXUWFJFHSA-N 0 0 453.341 4.521 20 0 JJADRN COc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)ccc1Br ZINC001455959038 1066460692 /nfs/dbraw/zinc/46/06/92/1066460692.db2.gz MXVUXCXAXZUALX-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2N)c1 ZINC001444413549 1066460645 /nfs/dbraw/zinc/46/06/45/1066460645.db2.gz ACDNVYYYSDQLGP-UHFFFAOYSA-N 0 0 456.395 4.781 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1OC ZINC001455961128 1066461227 /nfs/dbraw/zinc/46/12/27/1066461227.db2.gz MLBRMYBZSNTGTN-UHFFFAOYSA-N 0 0 454.189 4.693 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@]3(C(F)(F)F)CCCN3C(=O)OC(C)(C)C)on2)cc1 ZINC001455960179 1066461301 /nfs/dbraw/zinc/46/13/01/1066461301.db2.gz ZIENUKMQDZBHDX-NRFANRHFSA-N 0 0 453.461 4.712 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC001455960156 1066461321 /nfs/dbraw/zinc/46/13/21/1066461321.db2.gz BMOOLGBBGXDZAT-UTKZUKDTSA-N 0 0 457.498 4.510 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361158414 1066461183 /nfs/dbraw/zinc/46/11/83/1066461183.db2.gz ABXRKEZDWVFQJR-QGZVFWFLSA-N 0 0 495.571 4.807 20 0 JJADRN CN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158589 1066461212 /nfs/dbraw/zinc/46/12/12/1066461212.db2.gz UMKXSUAXMWFDOS-HXUWFJFHSA-N 0 0 451.542 4.910 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429322 1066461351 /nfs/dbraw/zinc/46/13/51/1066461351.db2.gz IYHHVVWNEWBXFW-JOCHJYFZSA-N 0 0 457.615 4.857 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC001444435224 1066461824 /nfs/dbraw/zinc/46/18/24/1066461824.db2.gz GCFZEDBVIFQOFS-UUOWRZLLSA-N 0 0 455.514 4.699 20 0 JJADRN C[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)c1cccc(Cl)c1Cl ZINC001444442972 1066461853 /nfs/dbraw/zinc/46/18/53/1066461853.db2.gz VDNSNBPKJJLIRQ-OLZOCXBDSA-N 0 0 453.370 4.932 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361158912 1066461988 /nfs/dbraw/zinc/46/19/88/1066461988.db2.gz IFJADFQXMJOWMB-HXUWFJFHSA-N 0 0 457.619 4.623 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361158911 1066461997 /nfs/dbraw/zinc/46/19/97/1066461997.db2.gz IFJADFQXMJOWMB-FQEVSTJZSA-N 0 0 457.619 4.623 20 0 JJADRN CCN(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001455966185 1066462461 /nfs/dbraw/zinc/46/24/61/1066462461.db2.gz WFFZVMQLFGCVHY-RUZDIDTESA-N 0 0 450.464 4.865 20 0 JJADRN COc1cccc(Cn2[nH]c(C)c3c(NC(=O)c4ccc([C@H](C)C(F)(F)F)cc4)nnc2-3)c1 ZINC001444458158 1066462508 /nfs/dbraw/zinc/46/25/08/1066462508.db2.gz YUGWYOKUXHJHCD-ZDUSSCGKSA-N 0 0 457.456 4.994 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCN(C(=O)CC4CCCC4)CC3)n2CC(F)(F)F)c1 ZINC001361159003 1066462556 /nfs/dbraw/zinc/46/25/56/1066462556.db2.gz LZJBHPOOQQMHJX-UHFFFAOYSA-N 0 0 493.574 4.655 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001455967499 1066463062 /nfs/dbraw/zinc/46/30/62/1066463062.db2.gz IHNJEPCTBDFZPN-ABAIWWIYSA-N 0 0 459.292 4.643 20 0 JJADRN CC(C)c1ncc(C(=O)Nc2cc(I)ccc2Br)s1 ZINC001455967452 1066463191 /nfs/dbraw/zinc/46/31/91/1066463191.db2.gz LVLGWBDPPZGZAN-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN CC[C@@H]1C[C@H](CC(=O)Nc2cc(I)ccc2Br)CCO1 ZINC001455972907 1066463819 /nfs/dbraw/zinc/46/38/19/1066463819.db2.gz VXAVRKAEGOSMTF-ZYHUDNBSSA-N 0 0 452.130 4.588 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC001455972834 1066463849 /nfs/dbraw/zinc/46/38/49/1066463849.db2.gz ATBVKSYNJBYAFV-UHFFFAOYSA-N 0 0 459.906 4.685 20 0 JJADRN NC(=O)CCSc1ccccc1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC001455971201 1066464020 /nfs/dbraw/zinc/46/40/20/1066464020.db2.gz UDHHAZLRFBEVEF-UHFFFAOYSA-N 0 0 450.951 4.899 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(COc4cc(C)ccc4C)n3CCC(C)(F)F)CC2)cs1 ZINC001361159684 1066464481 /nfs/dbraw/zinc/46/44/81/1066464481.db2.gz HEVSVKJTZFMPTB-UHFFFAOYSA-N 0 0 490.624 4.606 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C)o2)OC)c1 ZINC001455977928 1066465171 /nfs/dbraw/zinc/46/51/71/1066465171.db2.gz OWJULAAVYOPJEA-UHFFFAOYSA-N 0 0 456.564 4.787 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC001444477285 1066465187 /nfs/dbraw/zinc/46/51/87/1066465187.db2.gz HTLULYHEJDMOSK-GCJKJVERSA-N 0 0 457.546 4.930 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)CC2=O)cc1C ZINC001455977704 1066465268 /nfs/dbraw/zinc/46/52/68/1066465268.db2.gz OYTRAJNAFOUVQJ-AWEZNQCLSA-N 0 0 458.996 4.951 20 0 JJADRN O=C(Nc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F)c1ccsc1 ZINC001455978122 1066465740 /nfs/dbraw/zinc/46/57/40/1066465740.db2.gz PHEOESLIAKAWKA-UHFFFAOYSA-N 0 0 459.449 4.704 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2[C@@H]2C[C@H]2C(C)C)c1 ZINC001361160278 1066466558 /nfs/dbraw/zinc/46/65/58/1066466558.db2.gz WLDRPZWZHJULFF-RBUKOAKNSA-N 0 0 483.554 4.713 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CSc1nc(-c2ccccc2)no1 ZINC001444491401 1066466688 /nfs/dbraw/zinc/46/66/88/1066466688.db2.gz STAHSAHIXHEZIW-UHFFFAOYSA-N 0 0 458.381 4.781 20 0 JJADRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1ccc(Br)cc1O ZINC001444491629 1066466873 /nfs/dbraw/zinc/46/68/73/1066466873.db2.gz UPXSKIRRQFOOGG-UHFFFAOYSA-N 0 0 453.174 4.650 20 0 JJADRN CCc1c(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)nnn1Cc1ccccc1 ZINC001444498376 1066468185 /nfs/dbraw/zinc/46/81/85/1066468185.db2.gz BPMWCZVUDMRBTB-LJQANCHMSA-N 0 0 452.986 4.646 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCOC(F)(F)F)c1 ZINC001361161974 1066468367 /nfs/dbraw/zinc/46/83/67/1066468367.db2.gz DQHONQYZPBBNPH-IBGZPJMESA-N 0 0 470.536 4.652 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001361161933 1066468381 /nfs/dbraw/zinc/46/83/81/1066468381.db2.gz CRYNPBKVHQZARE-UZLBHIALSA-N 0 0 493.530 4.650 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2c(F)cccc2Br)c1 ZINC001455989047 1066468403 /nfs/dbraw/zinc/46/84/03/1066468403.db2.gz ZPWUBZOGUMYZFI-UHFFFAOYSA-N 0 0 453.308 4.744 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361162218 1066469333 /nfs/dbraw/zinc/46/93/33/1066469333.db2.gz KSQDLCMIBIYLOR-LADGPHEKSA-N 0 0 456.631 4.684 20 0 JJADRN C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)C(=O)c1ccc(Cl)cc1 ZINC001444507335 1066469480 /nfs/dbraw/zinc/46/94/80/1066469480.db2.gz AWYCJIMDGYJVIF-KKSFZXQISA-N 0 0 454.954 4.504 20 0 JJADRN CN(C(=O)C1CC1)c1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001455998475 1066469786 /nfs/dbraw/zinc/46/97/86/1066469786.db2.gz NEQGJHAXQWOZAN-NRFANRHFSA-N 0 0 451.567 4.524 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC001444511746 1066470084 /nfs/dbraw/zinc/47/00/84/1066470084.db2.gz GTOTXOJYLKSAPF-UHFFFAOYSA-N 0 0 453.441 4.828 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2nccn2C(F)F)c1 ZINC001361162908 1066470907 /nfs/dbraw/zinc/47/09/07/1066470907.db2.gz IMKNHGDTLIJHMR-CALCHBBNSA-N 0 0 480.510 4.841 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCOc2ncccc2F)c1 ZINC001361162906 1066470930 /nfs/dbraw/zinc/47/09/30/1066470930.db2.gz SYOUYGAIRRQYJA-HHHXNRCGSA-N 0 0 497.615 4.728 20 0 JJADRN CC[C@H](C)[C@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001444511770 1066471063 /nfs/dbraw/zinc/47/10/63/1066471063.db2.gz VMYHJJLPZGDMGX-PSHVLCQKSA-N 0 0 456.656 4.763 20 0 JJADRN CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)C[C@H](C)n2ccnc2)cc1 ZINC001456008206 1066471087 /nfs/dbraw/zinc/47/10/87/1066471087.db2.gz MREDUYZFJBUPOV-INIZCTEOSA-N 0 0 455.356 4.789 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361163174 1066471890 /nfs/dbraw/zinc/47/18/90/1066471890.db2.gz VMWHSXMMMVXIIE-RPLLCQBOSA-N 0 0 470.658 4.666 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COCc1cccc(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456014337 1066473234 /nfs/dbraw/zinc/47/32/34/1066473234.db2.gz IRGLKRDIWYNYEK-UUOWRZLLSA-N 0 0 458.002 4.626 20 0 JJADRN O=C(NCC1(C2(O)CCOCC2)CC1)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001456014889 1066473275 /nfs/dbraw/zinc/47/32/75/1066473275.db2.gz BNJDPUCGOVPFOC-UHFFFAOYSA-N 0 0 450.362 4.624 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](c4nccs4)C3)n2CCSC(F)(F)F)c1 ZINC001361163471 1066473375 /nfs/dbraw/zinc/47/33/75/1066473375.db2.gz YKDQVVJNZPRWPZ-QGZVFWFLSA-N 0 0 499.584 4.761 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c3c2CCC3)c(C)c1 ZINC001456015746 1066474114 /nfs/dbraw/zinc/47/41/14/1066474114.db2.gz BVNNJRYACLNHJI-IBGZPJMESA-N 0 0 454.615 4.647 20 0 JJADRN O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC001444544574 1066474260 /nfs/dbraw/zinc/47/42/60/1066474260.db2.gz CFHSYWYECJFUFH-UHFFFAOYSA-N 0 0 450.423 4.647 20 0 JJADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cnc(Nc3ccc(Cl)cc3)c(Cl)c1)CC2 ZINC001444556896 1066474768 /nfs/dbraw/zinc/47/47/68/1066474768.db2.gz MXGALQRESZDBSE-OALUTQOASA-N 0 0 450.366 4.524 20 0 JJADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)CC2 ZINC001444551830 1066474923 /nfs/dbraw/zinc/47/49/23/1066474923.db2.gz HJTHDMUBGCEKQO-RBUKOAKNSA-N 0 0 450.366 4.524 20 0 JJADRN Cc1ccc(F)c(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1F ZINC001444557854 1066475035 /nfs/dbraw/zinc/47/50/35/1066475035.db2.gz ZSEWYBCXQCVTHT-UHFFFAOYSA-N 0 0 458.402 4.722 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001456017647 1066475817 /nfs/dbraw/zinc/47/58/17/1066475817.db2.gz KQBIYCVLEIPCBL-SVBPBHIXSA-N 0 0 455.602 4.716 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCNc2ccccn2)c1 ZINC001361164168 1066475813 /nfs/dbraw/zinc/47/58/13/1066475813.db2.gz XNMMBDSUVUUOOA-HSZRJFAPSA-N 0 0 480.682 4.949 20 0 JJADRN COC(=O)CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1 ZINC001456019027 1066476361 /nfs/dbraw/zinc/47/63/61/1066476361.db2.gz NQXMRGHVCNYLCM-DHLKQENFSA-N 0 0 458.558 4.503 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCc4sccc43)cc2)[nH]1 ZINC001444561639 1066476489 /nfs/dbraw/zinc/47/64/89/1066476489.db2.gz CZPIFRMXXBBSPA-QGZVFWFLSA-N 0 0 453.568 4.617 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(C)(C)C)n3CCCCCS(C)(=O)=O)CC2)cc1 ZINC001361165900 1066476991 /nfs/dbraw/zinc/47/69/91/1066476991.db2.gz NFLIHFXWNMRTBA-UHFFFAOYSA-N 0 0 460.688 4.657 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C(=O)OC(C)(C)C ZINC001456019501 1066477024 /nfs/dbraw/zinc/47/70/24/1066477024.db2.gz SELGSCXNUOGIIB-ZYHUDNBSSA-N 0 0 455.483 4.592 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019964 1066477175 /nfs/dbraw/zinc/47/71/75/1066477175.db2.gz VMVGUHVLBLKHIZ-DVECYGJZSA-N 0 0 451.586 4.918 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC001456019599 1066477191 /nfs/dbraw/zinc/47/71/91/1066477191.db2.gz SWAZESRPGOGWOD-UHFFFAOYSA-N 0 0 459.836 4.880 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@H]4CCOC4)n3CCCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166042 1066477189 /nfs/dbraw/zinc/47/71/89/1066477189.db2.gz OPAYNCXYRQWMBC-FQEVSTJZSA-N 0 0 479.591 4.533 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456020771 1066477638 /nfs/dbraw/zinc/47/76/38/1066477638.db2.gz SUJUBMUYMSFWDR-JBYIUTFZSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)no1 ZINC001444568192 1066477634 /nfs/dbraw/zinc/47/76/34/1066477634.db2.gz ONJZDJKXAZMJPQ-NRFANRHFSA-N 0 0 457.983 4.910 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)CCOc1cc(C)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020892 1066477702 /nfs/dbraw/zinc/47/77/02/1066477702.db2.gz WKAXQGUKQMTBAG-IBVKSMDESA-N 0 0 451.611 4.842 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456020705 1066477721 /nfs/dbraw/zinc/47/77/21/1066477721.db2.gz XKGOMUKHOSAWFK-VWLOTQADSA-N 0 0 452.558 4.528 20 0 JJADRN CCc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 ZINC001456021211 1066478411 /nfs/dbraw/zinc/47/84/11/1066478411.db2.gz ZCWJEBMQUFNJMU-XMMPIXPASA-N 0 0 456.521 4.554 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@](O)(c4ccc(C)cc4)C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361166875 1066478396 /nfs/dbraw/zinc/47/83/96/1066478396.db2.gz AZVCTRORVUTPBZ-MHZLTWQESA-N 0 0 495.624 4.510 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3cccnc3SCC3CCCCC3)n[nH]2)cc1OC ZINC001444575152 1066478819 /nfs/dbraw/zinc/47/88/19/1066478819.db2.gz CYDYIWYZBZOVSB-UHFFFAOYSA-N 0 0 453.568 4.809 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1I ZINC001444595550 1066479398 /nfs/dbraw/zinc/47/93/98/1066479398.db2.gz FQRRYSZVUKWIJO-ZDUSSCGKSA-N 0 0 457.308 4.535 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(C(C)C)nnc3N3CCC(C(=O)N[C@H](C)C(C)C)CC3)co2)cc1 ZINC001361166907 1066479318 /nfs/dbraw/zinc/47/93/18/1066479318.db2.gz BPNOSNZOFWKFAE-HXUWFJFHSA-N 0 0 478.641 4.790 20 0 JJADRN Cc1ccc(-c2nc(Cn3c(C(C)C)nnc3N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)co2)cc1 ZINC001361166906 1066479339 /nfs/dbraw/zinc/47/93/39/1066479339.db2.gz BPNOSNZOFWKFAE-FQEVSTJZSA-N 0 0 478.641 4.790 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CCC(C)C)C2)cc1 ZINC001361167060 1066479373 /nfs/dbraw/zinc/47/93/73/1066479373.db2.gz GBRIIBGCFISVGY-CUNXSJBXSA-N 0 0 483.657 4.803 20 0 JJADRN O=C(Nc1sccc1C(=O)N1CCC(CN2CCCCC2=O)CC1)c1ccccc1Cl ZINC001444591462 1066479525 /nfs/dbraw/zinc/47/95/25/1066479525.db2.gz CAZQOWIMZKJZGC-UHFFFAOYSA-N 0 0 459.999 4.519 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001456024307 1066479793 /nfs/dbraw/zinc/47/97/93/1066479793.db2.gz IDNHGCHCAKGHEQ-INIZCTEOSA-N 0 0 451.498 4.825 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001456023456 1066479931 /nfs/dbraw/zinc/47/99/31/1066479931.db2.gz WETYIERHORAFRZ-UHFFFAOYSA-N 0 0 451.017 4.804 20 0 JJADRN COC(=O)CC[C@H](NC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001456022729 1066479941 /nfs/dbraw/zinc/47/99/41/1066479941.db2.gz YUPZWQQHHWYMAG-VXKWHMMOSA-N 0 0 452.551 4.679 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(C4CCN(C(=O)OC(C)(C)C)CC4)n3CCC(C)C)C2)cc1 ZINC001361167269 1066480010 /nfs/dbraw/zinc/48/00/10/1066480010.db2.gz MBCTXOAKUZFWHI-MUUNZHRXSA-N 0 0 497.684 4.845 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444603533 1066480166 /nfs/dbraw/zinc/48/01/66/1066480166.db2.gz LLCRQFUWCAPSHP-AWEZNQCLSA-N 0 0 454.723 4.742 20 0 JJADRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001444601412 1066480244 /nfs/dbraw/zinc/48/02/44/1066480244.db2.gz KTRVMFHACXQYEU-LJQANCHMSA-N 0 0 458.580 4.781 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)s1 ZINC001361167429 1066480585 /nfs/dbraw/zinc/48/05/85/1066480585.db2.gz PWCXEZJSSNFDSY-UHFFFAOYSA-N 0 0 478.622 4.629 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001444605031 1066480868 /nfs/dbraw/zinc/48/08/68/1066480868.db2.gz IMXSKRKSHSGGGW-VGSWGCGISA-N 0 0 452.551 4.656 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001444605001 1066480898 /nfs/dbraw/zinc/48/08/98/1066480898.db2.gz IMXSKRKSHSGGGW-HTAPYJJXSA-N 0 0 452.551 4.656 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361167921 1066481405 /nfs/dbraw/zinc/48/14/05/1066481405.db2.gz XFJQIBVBQSFTHW-MHZLTWQESA-N 0 0 485.673 4.576 20 0 JJADRN CCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c2c(n1)onc2C(C)C ZINC001456027145 1066481509 /nfs/dbraw/zinc/48/15/09/1066481509.db2.gz GEJRLRCBJJGYTJ-QFIPXVFZSA-N 0 0 456.546 4.888 20 0 JJADRN CCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1S(=O)(=O)CC ZINC001361168370 1066481991 /nfs/dbraw/zinc/48/19/91/1066481991.db2.gz FYINRMQWIWHOCU-UHFFFAOYSA-N 0 0 450.771 4.872 20 0 JJADRN Cc1cc2nc(NC(=O)CCCOc3ccc(I)cc3)oc2c(C)c1 ZINC001361168894 1066482093 /nfs/dbraw/zinc/48/20/93/1066482093.db2.gz OPOGTNVIKNJKIW-UHFFFAOYSA-N 0 0 450.276 4.847 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(Cc2ccccc2)ccc1O ZINC001444610718 1066482138 /nfs/dbraw/zinc/48/21/38/1066482138.db2.gz RZLGPXUGVVHPCA-UHFFFAOYSA-N 0 0 450.844 4.859 20 0 JJADRN Cc1nnnn1-c1ccc(F)c(NC(=O)C2(c3ccccc3Br)CCCCC2)c1 ZINC001456032106 1066483659 /nfs/dbraw/zinc/48/36/59/1066483659.db2.gz SHCZRLXCDHTPLX-UHFFFAOYSA-N 0 0 458.335 4.713 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@]2(C)CCCS2)o1 ZINC001361169469 1066483726 /nfs/dbraw/zinc/48/37/26/1066483726.db2.gz FMIZZLIKUFOUER-UZUQRXQVSA-N 0 0 474.652 4.733 20 0 JJADRN Cc1sc2ncnc(Sc3ccccc3C(=O)NCCc3nc(C(C)C)no3)c2c1C ZINC001456031632 1066483744 /nfs/dbraw/zinc/48/37/44/1066483744.db2.gz LVWRYUOEIVBMHV-UHFFFAOYSA-N 0 0 453.593 4.938 20 0 JJADRN O=C(Cc1cccc(OCc2cccnc2)c1)NCC1(c2ccccc2Cl)CCOCC1 ZINC001456034165 1066484253 /nfs/dbraw/zinc/48/42/53/1066484253.db2.gz YZDVJNFNURHYFM-UHFFFAOYSA-N 0 0 450.966 4.721 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001456032399 1066484285 /nfs/dbraw/zinc/48/42/85/1066484285.db2.gz VQGQGJDSRKOORE-FCHUYYIVSA-N 0 0 454.498 4.539 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC ZINC001456033343 1066484351 /nfs/dbraw/zinc/48/43/51/1066484351.db2.gz VMWPDWXLECABTP-KRWDZBQOSA-N 0 0 451.494 4.984 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1OC1CCCC1 ZINC001456033386 1066484357 /nfs/dbraw/zinc/48/43/57/1066484357.db2.gz CKOGVBPSALITHL-UHFFFAOYSA-N 0 0 455.551 4.667 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC001456034321 1066485041 /nfs/dbraw/zinc/48/50/41/1066485041.db2.gz IOMFRUKPTSTLDA-LJQANCHMSA-N 0 0 459.568 4.673 20 0 JJADRN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(n2cc(Br)cn2)CC1 ZINC001456034792 1066485181 /nfs/dbraw/zinc/48/51/81/1066485181.db2.gz CXZCRPDZVBTQNH-UHFFFAOYSA-N 0 0 457.806 4.961 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001456034813 1066485209 /nfs/dbraw/zinc/48/52/09/1066485209.db2.gz BVUSBMCPZZNGBF-LBPRGKRZSA-N 0 0 454.399 4.557 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(C(C)C)CC2)cc1Br ZINC001361170202 1066485179 /nfs/dbraw/zinc/48/51/79/1066485179.db2.gz NFJFZWPOBMFHDG-IAGOWNOFSA-N 0 0 497.503 4.710 20 0 JJADRN CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1 ZINC001456036297 1066485889 /nfs/dbraw/zinc/48/58/89/1066485889.db2.gz FVGLAXYZMQSIDZ-UHFFFAOYSA-N 0 0 459.527 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2Cc2csc(C)c2)o1 ZINC001361170641 1066485868 /nfs/dbraw/zinc/48/58/68/1066485868.db2.gz PHLUNPGOUKTZHX-KRWDZBQOSA-N 0 0 470.620 4.866 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361170446 1066485875 /nfs/dbraw/zinc/48/58/75/1066485875.db2.gz HYUARDMMLYEUJV-SFHVURJKSA-N 0 0 483.613 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2CCCN2CCCCC2=O)o1 ZINC001361170533 1066485899 /nfs/dbraw/zinc/48/58/99/1066485899.db2.gz OLXUKNALPDURTG-KRWDZBQOSA-N 0 0 457.525 4.725 20 0 JJADRN O=C(NCCCc1ccc(O)cc1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001444628251 1066486165 /nfs/dbraw/zinc/48/61/65/1066486165.db2.gz HGGCWGARUSVLJE-UHFFFAOYSA-N 0 0 453.336 4.770 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2CC2(C)COC2)o1 ZINC001361171310 1066486533 /nfs/dbraw/zinc/48/65/33/1066486533.db2.gz NSFKVPNLYPAUSX-QGZVFWFLSA-N 0 0 463.351 4.793 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001456039029 1066487178 /nfs/dbraw/zinc/48/71/78/1066487178.db2.gz RFTYFWHZWWPUKB-CTNGQTDRSA-N 0 0 450.476 4.848 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001456038734 1066487229 /nfs/dbraw/zinc/48/72/29/1066487229.db2.gz NEBDVWDDTZLIKE-LIRRHRJNSA-N 0 0 452.473 4.880 20 0 JJADRN CC(=O)c1cnc(NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)s1 ZINC001444645655 1066487493 /nfs/dbraw/zinc/48/74/93/1066487493.db2.gz WBWOIWSFANHHLU-UHFFFAOYSA-N 0 0 450.339 4.674 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc(C(=O)OC(C)(C)C)c1 ZINC001456039307 1066487817 /nfs/dbraw/zinc/48/78/17/1066487817.db2.gz RLDBUHMRAYZLLB-IBGZPJMESA-N 0 0 459.384 4.722 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC001361171872 1066487852 /nfs/dbraw/zinc/48/78/52/1066487852.db2.gz SYSBOUZGQOAQJH-SFHVURJKSA-N 0 0 495.624 4.877 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc(C(=O)OC(C)(C)C)c1 ZINC001456039310 1066487923 /nfs/dbraw/zinc/48/79/23/1066487923.db2.gz RLDBUHMRAYZLLB-LJQANCHMSA-N 0 0 459.384 4.722 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2CCc2ccn(C)n2)cc1Br ZINC001361171521 1066487981 /nfs/dbraw/zinc/48/79/81/1066487981.db2.gz VTOAARBSXRHJRP-MRXNPFEDSA-N 0 0 469.387 4.783 20 0 JJADRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456041223 1066488851 /nfs/dbraw/zinc/48/88/51/1066488851.db2.gz WOLSMMJYQSMEGK-XLIONFOSSA-N 0 0 451.792 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H]2CC[C@H](F)C2)o1 ZINC001361171997 1066488841 /nfs/dbraw/zinc/48/88/41/1066488841.db2.gz XYMPYGXOAQRCLJ-LMMKCTJWSA-N 0 0 460.575 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001361172023 1066489269 /nfs/dbraw/zinc/48/92/69/1066489269.db2.gz YBPRPNQPSRXPGY-PBNKOMEISA-N 0 0 450.555 4.869 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccncc1 ZINC001456043914 1066489282 /nfs/dbraw/zinc/48/92/82/1066489282.db2.gz LYSBLUSJBVFQJD-UHFFFAOYSA-N 0 0 453.955 4.780 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC001456044671 1066489334 /nfs/dbraw/zinc/48/93/34/1066489334.db2.gz CXMDGKCTRSDASR-LBPRGKRZSA-N 0 0 450.935 4.861 20 0 JJADRN CCN(C(=O)CCS(=O)(=O)C1CCCC1)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC001456043087 1066489454 /nfs/dbraw/zinc/48/94/54/1066489454.db2.gz HSIJFSZHPLEARQ-XMMPIXPASA-N 0 0 456.633 4.982 20 0 JJADRN CCN(C(=O)CCS(=O)(=O)C1CCCC1)[C@H](c1csc2ccccc21)c1cccnc1 ZINC001456043085 1066489533 /nfs/dbraw/zinc/48/95/33/1066489533.db2.gz HSIJFSZHPLEARQ-DEOSSOPVSA-N 0 0 456.633 4.982 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCC(=O)N2 ZINC001444661335 1066489415 /nfs/dbraw/zinc/48/94/15/1066489415.db2.gz IJPWHLCAPWGTCF-UHFFFAOYSA-N 0 0 453.292 4.611 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001456045043 1066490159 /nfs/dbraw/zinc/49/01/59/1066490159.db2.gz FQWOVTHHSBOUAN-JOCHJYFZSA-N 0 0 453.583 4.580 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001456045453 1066490698 /nfs/dbraw/zinc/49/06/98/1066490698.db2.gz HJMZCCMRKCEHHM-FDPACGJWSA-N 0 0 453.435 4.716 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC001361173085 1066490757 /nfs/dbraw/zinc/49/07/57/1066490757.db2.gz NCZPSBSCBAFIOA-ROUUACIJSA-N 0 0 451.394 4.510 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001361173129 1066490774 /nfs/dbraw/zinc/49/07/74/1066490774.db2.gz OINDKBWERUZDBU-KRWDZBQOSA-N 0 0 458.389 4.905 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669341 1066490845 /nfs/dbraw/zinc/49/08/45/1066490845.db2.gz PWPRSZLUXGJLKS-ILBGXUMGSA-N 0 0 450.966 4.837 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669347 1066490865 /nfs/dbraw/zinc/49/08/65/1066490865.db2.gz PWPRSZLUXGJLKS-NOZRDPDXSA-N 0 0 450.966 4.837 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001456047137 1066491283 /nfs/dbraw/zinc/49/12/83/1066491283.db2.gz HCDAGFRSVGZSSI-RYRKJORJSA-N 0 0 450.482 4.537 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1OC1CCCC1 ZINC001456046590 1066491292 /nfs/dbraw/zinc/49/12/92/1066491292.db2.gz GKAAPRVRWLWXHU-NRFANRHFSA-N 0 0 454.592 4.787 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCc2nccs2)cc1Br ZINC001361174732 1066491516 /nfs/dbraw/zinc/49/15/16/1066491516.db2.gz WCKXNWKFGOTIHX-HNNXBMFYSA-N 0 0 464.458 4.657 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CCOC[C@@H]2C)cc1Br ZINC001361174584 1066491560 /nfs/dbraw/zinc/49/15/60/1066491560.db2.gz UFKBDTUDEKPCMN-RYQLBKOJSA-N 0 0 465.461 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361175056 1066491703 /nfs/dbraw/zinc/49/17/03/1066491703.db2.gz BAISWJGQIMXHAC-UHFFFAOYSA-N 0 0 471.430 4.788 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC001456047734 1066492342 /nfs/dbraw/zinc/49/23/42/1066492342.db2.gz LRQCKBZJKSDPSB-RTWAWAEBSA-N 0 0 469.383 4.929 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361175352 1066492710 /nfs/dbraw/zinc/49/27/10/1066492710.db2.gz KMOLJNKUPZIILQ-UHFFFAOYSA-N 0 0 462.436 4.511 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)cc(F)c1Br ZINC001456049706 1066492762 /nfs/dbraw/zinc/49/27/62/1066492762.db2.gz PVTCEUODMAZNAC-OAHLLOKOSA-N 0 0 457.752 4.704 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC001456051195 1066493349 /nfs/dbraw/zinc/49/33/49/1066493349.db2.gz OESQQTWAASMHSG-LJQANCHMSA-N 0 0 458.008 4.855 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2CCCOC[C@@H]2CCCO2)cc1Br ZINC001361175686 1066493462 /nfs/dbraw/zinc/49/34/62/1066493462.db2.gz UWMTYWNGSJACSW-IBGZPJMESA-N 0 0 465.436 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCCOC(F)(F)F)o1 ZINC001361175934 1066493739 /nfs/dbraw/zinc/49/37/39/1066493739.db2.gz YRGYDMYCZYSXRG-UHFFFAOYSA-N 0 0 471.867 4.501 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001456051261 1066493875 /nfs/dbraw/zinc/49/38/75/1066493875.db2.gz OGYGPRJANKWGLR-IFXJQAMLSA-N 0 0 452.498 4.748 20 0 JJADRN CCCc1c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)nnn1-c1cccc(Cl)c1 ZINC001444694641 1066493933 /nfs/dbraw/zinc/49/39/33/1066493933.db2.gz ZQMOANYQQFFAHK-GOSISDBHSA-N 0 0 453.757 4.643 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(Oc2ccccc2F)nc1 ZINC001361176404 1066494607 /nfs/dbraw/zinc/49/46/07/1066494607.db2.gz NBLQKFMJMKREPA-UHFFFAOYSA-N 0 0 451.523 4.763 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCO1 ZINC001361177403 1066495117 /nfs/dbraw/zinc/49/51/17/1066495117.db2.gz CJEZQRJXJPQYRH-MRXNPFEDSA-N 0 0 462.417 4.596 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCOCC1 ZINC001361177564 1066495964 /nfs/dbraw/zinc/49/59/64/1066495964.db2.gz JCNUHIHWKRNGJB-UHFFFAOYSA-N 0 0 459.388 4.980 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545968741 1066496535 /nfs/dbraw/zinc/49/65/35/1066496535.db2.gz KUJSMEUBUOUVDU-ZIFCJYIRSA-N 0 0 463.573 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361177639 1066496646 /nfs/dbraw/zinc/49/66/46/1066496646.db2.gz LJYVUQXBBXHRTF-UHFFFAOYSA-N 0 0 474.487 4.780 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc4ccccc4[nH]3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361177602 1066496692 /nfs/dbraw/zinc/49/66/92/1066496692.db2.gz KGFBNRXHZRNCIP-UHFFFAOYSA-N 0 0 464.570 4.879 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNC(=O)C(C)C ZINC001361177569 1066496709 /nfs/dbraw/zinc/49/67/09/1066496709.db2.gz JERFNZDRPMILLS-UHFFFAOYSA-N 0 0 488.430 4.716 20 0 JJADRN COc1ccc(CC(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cc1O ZINC001444714018 1066496726 /nfs/dbraw/zinc/49/67/26/1066496726.db2.gz XQXPTYFVPLSNHW-XMMPIXPASA-N 0 0 454.364 4.980 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)(C)C)C1 ZINC001546078918 1066496754 /nfs/dbraw/zinc/49/67/54/1066496754.db2.gz BSABQFTYAVPKNY-HSZRJFAPSA-N 0 0 482.456 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2CCCN2CCCCCC2=O)o1 ZINC001361177871 1066497064 /nfs/dbraw/zinc/49/70/64/1066497064.db2.gz AJCATOSPKJGNBU-UHFFFAOYSA-N 0 0 487.551 4.877 20 0 JJADRN C[C@H](CC(=O)NCc1cc(N(C)C)nc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444722165 1066497362 /nfs/dbraw/zinc/49/73/62/1066497362.db2.gz QMQANBVRXXDPCG-RTBURBONSA-N 0 0 454.615 4.590 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(F)(F)F)c2ccccc2)c1 ZINC001456057952 1066497403 /nfs/dbraw/zinc/49/74/03/1066497403.db2.gz ORSYUKYWIXRBRO-LJQANCHMSA-N 0 0 452.473 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2Cc2nc(C(F)(F)F)cs2)o1 ZINC001361178037 1066497691 /nfs/dbraw/zinc/49/76/91/1066497691.db2.gz XMOYHEACDWNEQQ-UHFFFAOYSA-N 0 0 452.462 4.611 20 0 JJADRN O=C(NCc1ccnc(OCC2CC2)c1)c1cccnc1Oc1cccc(Br)c1 ZINC001456059621 1066497995 /nfs/dbraw/zinc/49/79/95/1066497995.db2.gz YMQHIIMNEZLEQP-UHFFFAOYSA-N 0 0 454.324 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCc2nc3cc(F)ccc3[nH]2)c2ccccc21 ZINC001444729256 1066498014 /nfs/dbraw/zinc/49/80/14/1066498014.db2.gz NOOQKQQAAKHWAK-MRXNPFEDSA-N 0 0 452.530 4.680 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC001444729465 1066498075 /nfs/dbraw/zinc/49/80/75/1066498075.db2.gz CXRSVZBOPPNGSR-JOCHJYFZSA-N 0 0 452.599 4.819 20 0 JJADRN CC[C@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1nc(C(F)(F)F)cs1 ZINC001444729980 1066498728 /nfs/dbraw/zinc/49/87/28/1066498728.db2.gz CHTNVFSMGOOKQU-HNNXBMFYSA-N 0 0 454.518 4.541 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC001444731703 1066498839 /nfs/dbraw/zinc/49/88/39/1066498839.db2.gz ZLOBTPJNUWWYRO-UHFFFAOYSA-N 0 0 450.608 4.685 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545968894 1066498887 /nfs/dbraw/zinc/49/88/87/1066498887.db2.gz NNHIJNIUHXWSEX-CTNGQTDRSA-N 0 0 494.640 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@](C)(O)c2ccco2)o1 ZINC001361178906 1066499513 /nfs/dbraw/zinc/49/95/13/1066499513.db2.gz TVHUOJIEJGYXQB-HSZRJFAPSA-N 0 0 458.465 4.585 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCCOC[C@@H]2CCCO2)o1 ZINC001361178700 1066499578 /nfs/dbraw/zinc/49/95/78/1066499578.db2.gz QDBYLZYSLLYGEB-INIZCTEOSA-N 0 0 450.992 4.784 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)CC2=O)c1 ZINC001456064884 1066499597 /nfs/dbraw/zinc/49/95/97/1066499597.db2.gz BJSGWMXVGJXOJP-AWEZNQCLSA-N 0 0 459.543 4.886 20 0 JJADRN COC(=O)c1[nH]c(C)cc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001456065015 1066499649 /nfs/dbraw/zinc/49/96/49/1066499649.db2.gz ZUZCQWMCEZFYMB-UHFFFAOYSA-N 0 0 456.090 4.633 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CCCOC2CCCCC2)o1 ZINC001361178952 1066500067 /nfs/dbraw/zinc/50/00/67/1066500067.db2.gz VQGRJRALSPSZMR-MGBGTMOVSA-N 0 0 470.639 4.960 20 0 JJADRN C[C@H](CNC(=O)c1cc2cc(Br)sc2[nH]1)Oc1ccc(Br)cc1 ZINC001444743609 1066500059 /nfs/dbraw/zinc/50/00/59/1066500059.db2.gz TXHZQSSTOMVTPR-SECBINFHSA-N 0 0 458.175 4.952 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2nn3c(c2Br)CCC3)cc1 ZINC001456065774 1066500178 /nfs/dbraw/zinc/50/01/78/1066500178.db2.gz LBBQGLBUBXFYTJ-QFIPXVFZSA-N 0 0 453.384 4.801 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001444743770 1066500269 /nfs/dbraw/zinc/50/02/69/1066500269.db2.gz UMDIINJNOSLBAH-JOCHJYFZSA-N 0 0 456.558 4.952 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001546079002 1066500532 /nfs/dbraw/zinc/50/05/32/1066500532.db2.gz DESDTUGCJIEAKB-DEOSSOPVSA-N 0 0 478.106 4.961 20 0 JJADRN O=C(c1cc(I)cc(C(F)(F)F)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC001361179344 1066500650 /nfs/dbraw/zinc/50/06/50/1066500650.db2.gz STELAMKTFRNHRQ-ZIAGYGMSSA-N 0 0 455.283 4.810 20 0 JJADRN C[C@H](CNC(=O)c1ccccc1N(C)C(=O)c1ccco1)Oc1ccc(Br)cc1 ZINC001444746165 1066500680 /nfs/dbraw/zinc/50/06/80/1066500680.db2.gz WJAMYHBRDYOPHP-OAHLLOKOSA-N 0 0 457.324 4.516 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1nc(C2CCCCC2)no1 ZINC001361180398 1066501012 /nfs/dbraw/zinc/50/10/12/1066501012.db2.gz XPJWMZFIMZONKR-IVZQSRNASA-N 0 0 451.489 4.963 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCO[C@@H]2CCCC[C@H]2C)o1 ZINC001361180691 1066501074 /nfs/dbraw/zinc/50/10/74/1066501074.db2.gz FYEHHGLWFWDWGU-CRAIPNDOSA-N 0 0 480.535 4.831 20 0 JJADRN CC(C)c1ccc(OCCC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1 ZINC001456067954 1066501126 /nfs/dbraw/zinc/50/11/26/1066501126.db2.gz HZRDLKBDAOLGKP-UHFFFAOYSA-N 0 0 450.579 4.983 20 0 JJADRN CCN(C(=O)Cc1cnn2c1CCCC2)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456069973 1066501618 /nfs/dbraw/zinc/50/16/18/1066501618.db2.gz CEWOHBCRTHVTIV-HSZRJFAPSA-N 0 0 453.384 4.558 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC001456069289 1066501725 /nfs/dbraw/zinc/50/17/25/1066501725.db2.gz YGBMAJBLNNKHFR-GOSISDBHSA-N 0 0 454.014 4.776 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2cccnc2)C1 ZINC001546079075 1066501747 /nfs/dbraw/zinc/50/17/47/1066501747.db2.gz FPOVUWBNWVDOEM-QHCPKHFHSA-N 0 0 470.415 4.884 20 0 JJADRN CC(C)CC[C@@](C)(O)CNC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001444759925 1066501811 /nfs/dbraw/zinc/50/18/11/1066501811.db2.gz SSFYINMBSPESME-HHHXNRCGSA-N 0 0 452.595 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccsc3)n2Cc2ccc(C)n(C)c2=O)cc1Br ZINC001361180950 1066502067 /nfs/dbraw/zinc/50/20/67/1066502067.db2.gz BPOOUTVQOLNNFP-UHFFFAOYSA-N 0 0 498.450 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2CCC(=O)N2CCCCC2)o1 ZINC001361180939 1066502079 /nfs/dbraw/zinc/50/20/79/1066502079.db2.gz MADWMCBOPLJKQY-UHFFFAOYSA-N 0 0 475.515 4.904 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2Cc2cc(C(C)(C)C)no2)o1 ZINC001361181084 1066502409 /nfs/dbraw/zinc/50/24/09/1066502409.db2.gz PPLXHODSMABFNV-UHFFFAOYSA-N 0 0 477.491 4.569 20 0 JJADRN O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001444767998 1066502768 /nfs/dbraw/zinc/50/27/68/1066502768.db2.gz MWAHMXIYLRHRBD-CQSZACIVSA-N 0 0 455.744 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CCC=CO2)cc1Br ZINC001361181260 1066502937 /nfs/dbraw/zinc/50/29/37/1066502937.db2.gz RYOWZSQULRVKMG-IBGZPJMESA-N 0 0 454.372 4.740 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2CCCOC[C@H]2CCOC2)cc1Br ZINC001361181377 1066502961 /nfs/dbraw/zinc/50/29/61/1066502961.db2.gz KSIFLNSLJULFMT-LJQANCHMSA-N 0 0 489.414 4.689 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2Cc2ccccc2OC(F)F)o1 ZINC001361181323 1066502982 /nfs/dbraw/zinc/50/29/82/1066502982.db2.gz UIRYMLISFMFMFU-UHFFFAOYSA-N 0 0 496.440 4.885 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC001444773712 1066503142 /nfs/dbraw/zinc/50/31/42/1066503142.db2.gz CQRIEOLDWZVGPY-LJQANCHMSA-N 0 0 453.384 4.650 20 0 JJADRN CCN(CC1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1)C(=O)OC(C)(C)C ZINC001444770207 1066503220 /nfs/dbraw/zinc/50/32/20/1066503220.db2.gz QOFPEERYLNRPRF-UHFFFAOYSA-N 0 0 458.578 4.737 20 0 JJADRN CCN(CC1CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1)C(=O)OC(C)(C)C ZINC001444773265 1066503311 /nfs/dbraw/zinc/50/33/11/1066503311.db2.gz ZRDUYWNPSBAJBU-UHFFFAOYSA-N 0 0 455.386 4.750 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)c2ncc(C)s2)o1 ZINC001361181468 1066503340 /nfs/dbraw/zinc/50/33/40/1066503340.db2.gz XSGGJPRPEZKCNY-LBPRGKRZSA-N 0 0 479.532 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@@H]2CC[C@H](F)C2)cc1Br ZINC001361181411 1066503391 /nfs/dbraw/zinc/50/33/91/1066503391.db2.gz LJWAAPSSBNCSSB-WBVHZDCISA-N 0 0 459.367 4.581 20 0 JJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC001444772606 1066503330 /nfs/dbraw/zinc/50/33/30/1066503330.db2.gz XCMDYUXHVMQGSM-FQEVSTJZSA-N 0 0 455.555 4.535 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@H](CNc4ccc(Cl)cc4)C3)n[nH]2)cc1 ZINC001456075566 1066503581 /nfs/dbraw/zinc/50/35/81/1066503581.db2.gz HVDAPXVEFQVJSL-QGZVFWFLSA-N 0 0 456.015 4.876 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@@H](CNc4ccc(Cl)cc4)C3)n[nH]2)cc1 ZINC001456075559 1066503619 /nfs/dbraw/zinc/50/36/19/1066503619.db2.gz HVDAPXVEFQVJSL-KRWDZBQOSA-N 0 0 456.015 4.876 20 0 JJADRN CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001456073741 1066503671 /nfs/dbraw/zinc/50/36/71/1066503671.db2.gz NAIINXZAIXVGQO-SANMLTNESA-N 0 0 450.604 4.753 20 0 JJADRN CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001456073737 1066503697 /nfs/dbraw/zinc/50/36/97/1066503697.db2.gz NAIINXZAIXVGQO-AREMUKBSSA-N 0 0 450.604 4.753 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2NC(C)=O)cc1 ZINC001444776848 1066503696 /nfs/dbraw/zinc/50/36/96/1066503696.db2.gz JVZXUNLBQXXLHM-UHFFFAOYSA-N 0 0 456.495 4.622 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1nccs1 ZINC001361181600 1066503840 /nfs/dbraw/zinc/50/38/40/1066503840.db2.gz PXJCNPXZRPXTCV-UHFFFAOYSA-N 0 0 486.443 4.773 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181576 1066503879 /nfs/dbraw/zinc/50/38/79/1066503879.db2.gz OWJHOXRQRXSSJL-YJBOKZPZSA-N 0 0 472.615 4.585 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)C1 ZINC001456076728 1066504102 /nfs/dbraw/zinc/50/41/02/1066504102.db2.gz IQRUJUVVKCRTMN-SFTDATJTSA-N 0 0 455.986 4.649 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)cc2)cc1 ZINC001456076500 1066504158 /nfs/dbraw/zinc/50/41/58/1066504158.db2.gz OXSSJCBJQFZJRW-UHFFFAOYSA-N 0 0 455.470 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@](C)(O)C(C)C)cc1Br ZINC001361181848 1066504264 /nfs/dbraw/zinc/50/42/64/1066504264.db2.gz YNKCOEJIJYJKOS-FQEVSTJZSA-N 0 0 464.433 4.516 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@](C)(O)C(C)C)cc1Br ZINC001361181849 1066504324 /nfs/dbraw/zinc/50/43/24/1066504324.db2.gz YNKCOEJIJYJKOS-HXUWFJFHSA-N 0 0 464.433 4.516 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCC3)cc2n1 ZINC001444789537 1066504240 /nfs/dbraw/zinc/50/42/40/1066504240.db2.gz VJBICXZTELPWLF-UHFFFAOYSA-N 0 0 456.390 4.927 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2)cc1 ZINC001444785946 1066504306 /nfs/dbraw/zinc/50/43/06/1066504306.db2.gz UFCSFZKXVNBLFL-GOTSBHOMSA-N 0 0 451.611 4.606 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCn2cc(Cl)cn2)o1 ZINC001361181702 1066504346 /nfs/dbraw/zinc/50/43/46/1066504346.db2.gz TXEYLNNVEPUHSO-UHFFFAOYSA-N 0 0 471.896 4.508 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001444795387 1066505038 /nfs/dbraw/zinc/50/50/38/1066505038.db2.gz FLQIPRCZSMYAPH-ODGPQVTHSA-N 0 0 452.595 4.954 20 0 JJADRN CCN(C(=O)[C@@H]1CCCc2nn(C)cc21)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078822 1066505093 /nfs/dbraw/zinc/50/50/93/1066505093.db2.gz WIOUAWHXCFUSKL-KNQAVFIVSA-N 0 0 453.384 4.636 20 0 JJADRN CCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001444799190 1066505199 /nfs/dbraw/zinc/50/51/99/1066505199.db2.gz OFCLIDQKVDLBPK-QHCPKHFHSA-N 0 0 454.615 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCc2ccncc2)cc1Br ZINC001361182826 1066505136 /nfs/dbraw/zinc/50/51/36/1066505136.db2.gz BSIYGFXIABLKTE-UHFFFAOYSA-N 0 0 458.379 4.838 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC001456079143 1066505151 /nfs/dbraw/zinc/50/51/51/1066505151.db2.gz WZMSHDDOXUHIGK-UHFFFAOYSA-N 0 0 450.992 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCCOC(F)F)cc1Br ZINC001361183202 1066505507 /nfs/dbraw/zinc/50/55/07/1066505507.db2.gz HSNNAJJMGGJQBD-UHFFFAOYSA-N 0 0 461.326 4.830 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCCN2CCOCC2)cc1Br ZINC001361183426 1066505648 /nfs/dbraw/zinc/50/56/48/1066505648.db2.gz KCLXLVYIVFIDSX-UHFFFAOYSA-N 0 0 490.490 4.755 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC001444804261 1066506043 /nfs/dbraw/zinc/50/60/43/1066506043.db2.gz LTJDXTMEWSDAMR-KSFYIVLOSA-N 0 0 458.961 4.950 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@@](C)(O)c2ccsc2)cc1Br ZINC001361183550 1066505992 /nfs/dbraw/zinc/50/59/92/1066505992.db2.gz MIHFGCPLECZIRN-OAQYLSRUSA-N 0 0 488.411 4.610 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3c3ccccc3)nc2)CC1 ZINC001456080747 1066506075 /nfs/dbraw/zinc/50/60/75/1066506075.db2.gz DSXGTBIGCMHJFG-FGZHOGPDSA-N 0 0 450.583 4.661 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001456087432 1066506551 /nfs/dbraw/zinc/50/65/51/1066506551.db2.gz PSVZVTNKMCOSOJ-JOCHJYFZSA-N 0 0 457.534 4.905 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546079214 1066506660 /nfs/dbraw/zinc/50/66/60/1066506660.db2.gz HOLNVNKUEHMVRE-AREMUKBSSA-N 0 0 453.631 4.503 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001444808258 1066506937 /nfs/dbraw/zinc/50/69/37/1066506937.db2.gz HWQIBTITDURBKD-UHFFFAOYSA-N 0 0 459.852 4.577 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)c(OC)c1 ZINC001444807248 1066507020 /nfs/dbraw/zinc/50/70/20/1066507020.db2.gz VHGFCPZEJJZNRH-LJQANCHMSA-N 0 0 455.555 4.529 20 0 JJADRN C[C@H]1CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CCN1C(=O)OC(C)(C)C ZINC001444808523 1066507106 /nfs/dbraw/zinc/50/71/06/1066507106.db2.gz WOLMMCFDPZNMMG-ZDUSSCGKSA-N 0 0 455.502 4.910 20 0 JJADRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)C1 ZINC001444808072 1066507204 /nfs/dbraw/zinc/50/72/04/1066507204.db2.gz IWGJRZBBCYGUJG-IRXDYDNUSA-N 0 0 454.564 4.512 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C2CC2)nc1C ZINC001456087843 1066507195 /nfs/dbraw/zinc/50/71/95/1066507195.db2.gz OCKBFWTWQKRKEX-GFCCVEGCSA-N 0 0 456.486 4.901 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@@H](COCc2ccccc2)C1)Cc1ccccc1 ZINC001444810776 1066507665 /nfs/dbraw/zinc/50/76/65/1066507665.db2.gz ZTVBOYZRSFSEBA-RPWUZVMVSA-N 0 0 452.595 4.578 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@@H]3CC(Br)=NN3c3ccc(C)cc3)c2)o1 ZINC001444814080 1066508140 /nfs/dbraw/zinc/50/81/40/1066508140.db2.gz QDFVSNZIHJVDIY-KRWDZBQOSA-N 0 0 454.328 4.533 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2Cc2cccc(COCC(F)(F)F)c2)o1 ZINC001361184798 1066508304 /nfs/dbraw/zinc/50/83/04/1066508304.db2.gz UVYJLIITDSGNHX-UHFFFAOYSA-N 0 0 478.515 4.837 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2ccccc2I)cc1 ZINC001456093150 1066508321 /nfs/dbraw/zinc/50/83/21/1066508321.db2.gz AORBBRJRQSNGAX-UHFFFAOYSA-N 0 0 452.292 4.819 20 0 JJADRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC001361185072 1066508740 /nfs/dbraw/zinc/50/87/40/1066508740.db2.gz CEPBQYATLOITIC-UHFFFAOYSA-N 0 0 456.490 4.761 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)nn1-c1ccc(Cl)cc1Cl ZINC001456098788 1066508966 /nfs/dbraw/zinc/50/89/66/1066508966.db2.gz MWDROKNYLUSGID-HNNXBMFYSA-N 0 0 451.304 4.774 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(C)c(C)c4)C[C@H]3C)cs2)cc1OC ZINC001361185394 1066509106 /nfs/dbraw/zinc/50/91/06/1066509106.db2.gz FPYNLFMMAGUZJR-GOSISDBHSA-N 0 0 451.592 4.795 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC001361185511 1066509203 /nfs/dbraw/zinc/50/92/03/1066509203.db2.gz HXFZMKUJEBPGER-UHFFFAOYSA-N 0 0 459.497 4.544 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C1CC1 ZINC001456100259 1066509410 /nfs/dbraw/zinc/50/94/10/1066509410.db2.gz AUVOTQNEKVJEEW-DNVCBOLYSA-N 0 0 450.362 4.926 20 0 JJADRN COC(=O)CCN(C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C)C1CCOCC1 ZINC001361186036 1066509590 /nfs/dbraw/zinc/50/95/90/1066509590.db2.gz PVBFKRNWUAJIEW-JFQYEFOUSA-N 0 0 454.394 4.763 20 0 JJADRN COCCN(Cc1cccnc1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC001456102158 1066509761 /nfs/dbraw/zinc/50/97/61/1066509761.db2.gz KLNAZPRGLNBNES-UHFFFAOYSA-N 0 0 454.574 4.899 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C)[C@H](C)c1ccccc1)C2 ZINC001361186769 1066510407 /nfs/dbraw/zinc/51/04/07/1066510407.db2.gz VYTRDECUZRJBLA-FVJLSDCUSA-N 0 0 454.567 4.678 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C)c1ccccc1 ZINC001444833720 1066510989 /nfs/dbraw/zinc/51/09/89/1066510989.db2.gz BRIMMMYNCUOEDE-DEOSSOPVSA-N 0 0 453.542 4.924 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1conc1C(F)(F)F ZINC001456109499 1066510894 /nfs/dbraw/zinc/51/08/94/1066510894.db2.gz YRXIIYGMVIWLOH-UHFFFAOYSA-N 0 0 450.076 4.569 20 0 JJADRN CCOC(=O)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C)c1ccccc1 ZINC001444833721 1066511032 /nfs/dbraw/zinc/51/10/32/1066511032.db2.gz BRIMMMYNCUOEDE-XMMPIXPASA-N 0 0 453.542 4.924 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCOC[C@H]2C)cc1Br ZINC001361187301 1066511594 /nfs/dbraw/zinc/51/15/94/1066511594.db2.gz MBFDNEPSQPBJDY-NQIIRXRSSA-N 0 0 491.474 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)o1 ZINC001361187280 1066511674 /nfs/dbraw/zinc/51/16/74/1066511674.db2.gz LJNBIELRLHZWCA-UHFFFAOYSA-N 0 0 451.600 4.508 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)ccc2C)c1 ZINC001444850298 1066511941 /nfs/dbraw/zinc/51/19/41/1066511941.db2.gz AWMQKDUIVTVTKQ-QGZVFWFLSA-N 0 0 454.523 4.671 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC001444849573 1066511983 /nfs/dbraw/zinc/51/19/83/1066511983.db2.gz RZFCSYOCXOQNFM-IBGZPJMESA-N 0 0 453.384 4.748 20 0 JJADRN CC[C@](C)(CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)C1OCCO1 ZINC001444852262 1066512489 /nfs/dbraw/zinc/51/24/89/1066512489.db2.gz MNSAOFFCHAQWBY-RUZDIDTESA-N 0 0 453.608 4.959 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1)CCO2 ZINC001444850347 1066512508 /nfs/dbraw/zinc/51/25/08/1066512508.db2.gz BFBRFQMKRUOGDX-QFIPXVFZSA-N 0 0 451.954 4.732 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCc1nccs1 ZINC001361187634 1066512460 /nfs/dbraw/zinc/51/24/60/1066512460.db2.gz ZFJCSJRUDLNCPT-UHFFFAOYSA-N 0 0 487.427 4.805 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC001361187570 1066512625 /nfs/dbraw/zinc/51/26/25/1066512625.db2.gz XJOIUWHNEUETNQ-TZIWHRDSSA-N 0 0 491.474 4.820 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC001444851731 1066512595 /nfs/dbraw/zinc/51/25/95/1066512595.db2.gz FUPZJOCUBWVOSM-UHFFFAOYSA-N 0 0 450.283 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C[C@@H]2CCCCC(F)(F)C2)o1 ZINC001361188028 1066512926 /nfs/dbraw/zinc/51/29/26/1066512926.db2.gz KVMHGRYMAWOKNC-GOSISDBHSA-N 0 0 463.573 4.805 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C1 ZINC001546079627 1066513068 /nfs/dbraw/zinc/51/30/68/1066513068.db2.gz QJLVENKRHZDQFR-UNVFRBQDSA-N 0 0 469.630 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@H](F)c2ccc(Br)cc2)o1 ZINC001361187967 1066513244 /nfs/dbraw/zinc/51/32/44/1066513244.db2.gz KCMCQNVSEXKOMD-SFHVURJKSA-N 0 0 473.350 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C[C@H]2CCCCC(F)(F)C2)o1 ZINC001361188029 1066513248 /nfs/dbraw/zinc/51/32/48/1066513248.db2.gz KVMHGRYMAWOKNC-SFHVURJKSA-N 0 0 463.573 4.805 20 0 JJADRN COc1ccc(-n2cc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCCC3)nn2)cc1 ZINC001361188299 1066513654 /nfs/dbraw/zinc/51/36/54/1066513654.db2.gz HCAMGVFHUXTDKW-UHFFFAOYSA-N 0 0 458.484 4.927 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001444856246 1066513778 /nfs/dbraw/zinc/51/37/78/1066513778.db2.gz NKVHNAIHGQBTKN-UHFFFAOYSA-N 0 0 456.262 4.657 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1 ZINC001361188498 1066514128 /nfs/dbraw/zinc/51/41/28/1066514128.db2.gz JTUNAALCAIBHTD-WJPUGNRLSA-N 0 0 450.348 4.948 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001456120007 1066514081 /nfs/dbraw/zinc/51/40/81/1066514081.db2.gz NCFICMPBXRMSKH-UHFFFAOYSA-N 0 0 451.579 4.752 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCCOc1ccccc1C(F)(F)F)c1ccccc1 ZINC001456121145 1066514148 /nfs/dbraw/zinc/51/41/48/1066514148.db2.gz SBRHMYRDZQIARK-GOSISDBHSA-N 0 0 452.473 4.857 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@H](CC(C)C)N2CCCCC2=O)cc1 ZINC001456121363 1066514540 /nfs/dbraw/zinc/51/45/40/1066514540.db2.gz UZRPUFXRDXKACV-VWLOTQADSA-N 0 0 452.595 4.660 20 0 JJADRN NC(=O)c1cn(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)c2ccccc12 ZINC001361189098 1066514611 /nfs/dbraw/zinc/51/46/11/1066514611.db2.gz UVWXTGCPXWYRLI-UHFFFAOYSA-N 0 0 457.496 4.777 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361189977 1066515113 /nfs/dbraw/zinc/51/51/13/1066515113.db2.gz AKPCIXQGKHUZSQ-UHFFFAOYSA-N 0 0 487.576 4.758 20 0 JJADRN C[C@H]1Cc2cc(C(=O)N(Cc3ccccc3F)c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC001456125066 1066515239 /nfs/dbraw/zinc/51/52/39/1066515239.db2.gz TUJLXUJTXDJCIC-INIZCTEOSA-N 0 0 456.514 4.522 20 0 JJADRN Cc1cc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC001444874782 1066515292 /nfs/dbraw/zinc/51/52/92/1066515292.db2.gz XAENUQGZCXONFB-IBGZPJMESA-N 0 0 458.267 4.667 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccc(N2CCOCC2)nc1 ZINC001444881118 1066515784 /nfs/dbraw/zinc/51/57/84/1066515784.db2.gz NCMGAYCBBCJERC-UHFFFAOYSA-N 0 0 457.452 4.659 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)o1 ZINC001361190701 1066516187 /nfs/dbraw/zinc/51/61/87/1066516187.db2.gz PYAIVUNBIBXOGL-UHFFFAOYSA-N 0 0 463.485 4.885 20 0 JJADRN CC(C)Oc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001456127535 1066516250 /nfs/dbraw/zinc/51/62/50/1066516250.db2.gz IZLRFQJAXSUDGW-GOEBONIOSA-N 0 0 455.393 4.660 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)CC(F)(F)F)C1 ZINC001546079799 1066516584 /nfs/dbraw/zinc/51/65/84/1066516584.db2.gz UCUIRFCTBQJJFP-JBYIUTFZSA-N 0 0 459.601 4.707 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2(Cl)Cl)cc1 ZINC001456129949 1066516748 /nfs/dbraw/zinc/51/67/48/1066516748.db2.gz TWZWMHMGVRDRRH-LBUQITIBSA-N 0 0 471.425 4.710 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H]2OC)C1 ZINC001546079804 1066516821 /nfs/dbraw/zinc/51/68/21/1066516821.db2.gz UEACBMIVOYEGRM-AJGMTHFWSA-N 0 0 461.651 4.792 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001444897279 1066517101 /nfs/dbraw/zinc/51/71/01/1066517101.db2.gz JWFZLHBOPBFGNW-NRFANRHFSA-N 0 0 458.436 4.898 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)o1 ZINC001361191073 1066517159 /nfs/dbraw/zinc/51/71/59/1066517159.db2.gz FRCRPVWEMGRFDT-GHTZIAJQSA-N 0 0 467.589 4.735 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC(=O)NC(C)C)cc1Br ZINC001361191228 1066517169 /nfs/dbraw/zinc/51/71/69/1066517169.db2.gz LJDXPVFVRQBMTD-KRWDZBQOSA-N 0 0 476.463 4.946 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC(=O)NC2CCCCC2)o1 ZINC001361191065 1066517181 /nfs/dbraw/zinc/51/71/81/1066517181.db2.gz FOFVXKHDFYPFMC-UHFFFAOYSA-N 0 0 453.562 4.850 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)o1 ZINC001361191074 1066517226 /nfs/dbraw/zinc/51/72/26/1066517226.db2.gz FRCRPVWEMGRFDT-RXVVDRJESA-N 0 0 467.589 4.735 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC001361191091 1066517300 /nfs/dbraw/zinc/51/73/00/1066517300.db2.gz GDABOJNZNJULJV-SJLPKXTDSA-N 0 0 463.420 4.878 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccc(F)c3)C3CC3)n2CCN(C)CC(F)(F)F)o1 ZINC001361191198 1066517313 /nfs/dbraw/zinc/51/73/13/1066517313.db2.gz JWHLXWCJSGLZSD-UHFFFAOYSA-N 0 0 451.468 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCCOCC(F)F)cc1Br ZINC001361191182 1066517334 /nfs/dbraw/zinc/51/73/34/1066517334.db2.gz JBSANYVERONJQF-UHFFFAOYSA-N 0 0 473.362 4.998 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H]2OC)C1 ZINC001546079807 1066517355 /nfs/dbraw/zinc/51/73/55/1066517355.db2.gz UEACBMIVOYEGRM-XZWCOCNFSA-N 0 0 461.651 4.792 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c2cc(Br)ccc2n1 ZINC001456130050 1066517402 /nfs/dbraw/zinc/51/74/02/1066517402.db2.gz YEIKYHHOTFEFSJ-GOEBONIOSA-N 0 0 462.388 4.729 20 0 JJADRN C[C@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444904478 1066517584 /nfs/dbraw/zinc/51/75/84/1066517584.db2.gz JBEYJLBSLNOLNO-ORAYPTAESA-N 0 0 450.457 4.955 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)OC1CCCC1 ZINC001361191379 1066517783 /nfs/dbraw/zinc/51/77/83/1066517783.db2.gz RATIEGCIXVLKOL-UHFFFAOYSA-N 0 0 473.419 4.922 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H]2CCC3(CCC3)O2)cc1OCC ZINC001456131908 1066517747 /nfs/dbraw/zinc/51/77/47/1066517747.db2.gz XFOKQQYZEJKYSM-HXUWFJFHSA-N 0 0 451.563 4.937 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2[nH]nc3c2cccc3OC)c2ccccc2Cl)c(OC)c1 ZINC001444911282 1066517736 /nfs/dbraw/zinc/51/77/36/1066517736.db2.gz ZHSAQSNKFBASMV-NRFANRHFSA-N 0 0 451.910 4.762 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1)NC(=O)OC(C)(C)C ZINC001545970255 1066517772 /nfs/dbraw/zinc/51/77/72/1066517772.db2.gz ASJUAPBKMGMQDR-SIBVEZHUSA-N 0 0 487.645 4.652 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N[C@H](C)Cc3ccc(OC)c(OC)c3)cc2)c(OC)c1 ZINC001444910483 1066517867 /nfs/dbraw/zinc/51/78/67/1066517867.db2.gz VFJVWVLEBKZGMF-QGZVFWFLSA-N 0 0 450.535 4.826 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1)NC(=O)OC(C)(C)C ZINC001545970253 1066517883 /nfs/dbraw/zinc/51/78/83/1066517883.db2.gz ASJUAPBKMGMQDR-BCHFMIIMSA-N 0 0 487.645 4.652 20 0 JJADRN Cc1ccc(CNC(=O)NCC(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)cc1 ZINC001444912673 1066517902 /nfs/dbraw/zinc/51/79/02/1066517902.db2.gz DFGHQNUILISQAW-DEOSSOPVSA-N 0 0 453.945 4.801 20 0 JJADRN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC001444916023 1066518153 /nfs/dbraw/zinc/51/81/53/1066518153.db2.gz KDMJKVGUJMBBDQ-DEOSSOPVSA-N 0 0 454.929 4.822 20 0 JJADRN CCOC(Cn1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)cn1)OCC ZINC001444919259 1066518363 /nfs/dbraw/zinc/51/83/63/1066518363.db2.gz RTZIVOQDMVWESS-HSZRJFAPSA-N 0 0 459.949 4.903 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)OCc3sc(-c4ccccc4)nc3C)CCC(=O)N2C)cc1 ZINC001456136532 1066518755 /nfs/dbraw/zinc/51/87/55/1066518755.db2.gz FJLCLAUBPMWEQO-NZQKXSOJSA-N 0 0 450.560 4.780 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)OCc3sc(-c4ccccc4)nc3C)CCC(=O)N2C)cc1 ZINC001456136544 1066518770 /nfs/dbraw/zinc/51/87/70/1066518770.db2.gz FJLCLAUBPMWEQO-REWPJTCUSA-N 0 0 450.560 4.780 20 0 JJADRN CCn1nc(C)c(CC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)c1C ZINC001456138528 1066519132 /nfs/dbraw/zinc/51/91/32/1066519132.db2.gz OYWOUPCEDHSVLA-UHFFFAOYSA-N 0 0 458.912 4.610 20 0 JJADRN CCCN(C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456138071 1066519308 /nfs/dbraw/zinc/51/93/08/1066519308.db2.gz AMSCPORATGBTLX-QFIPXVFZSA-N 0 0 454.615 4.913 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001361192282 1066519173 /nfs/dbraw/zinc/51/91/73/1066519173.db2.gz IUXOKSHIOVBJRA-HOCLYGCPSA-N 0 0 456.940 4.725 20 0 JJADRN CC[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)Oc1ccccc1C ZINC001444935440 1066519388 /nfs/dbraw/zinc/51/93/88/1066519388.db2.gz VNRNTSQYINUITL-LJQANCHMSA-N 0 0 456.539 4.522 20 0 JJADRN Cc1cccn2cc(CCNC(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)nc12 ZINC001361191822 1066519440 /nfs/dbraw/zinc/51/94/40/1066519440.db2.gz AHJRVNBGQUBUSF-MRXNPFEDSA-N 0 0 454.983 4.932 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001361192607 1066520037 /nfs/dbraw/zinc/52/00/37/1066520037.db2.gz JSGRONYOGXKTJN-YKSBVNFPSA-N 0 0 452.595 4.960 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001361193655 1066520090 /nfs/dbraw/zinc/52/00/90/1066520090.db2.gz YCHBLTHGECJSRI-MRXNPFEDSA-N 0 0 456.999 4.939 20 0 JJADRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC001361193808 1066520607 /nfs/dbraw/zinc/52/06/07/1066520607.db2.gz ZHXRWLXTANYZKR-SFHVURJKSA-N 0 0 453.327 4.960 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2C[C@@H]2CCCSC2)o1 ZINC001361194045 1066520681 /nfs/dbraw/zinc/52/06/81/1066520681.db2.gz CPYHPLJPLZQODM-HNNXBMFYSA-N 0 0 497.484 4.813 20 0 JJADRN COCc1c(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001361193791 1066520743 /nfs/dbraw/zinc/52/07/43/1066520743.db2.gz XLFBALJNRWRSPI-WMLDXEAASA-N 0 0 450.576 4.952 20 0 JJADRN CCN(C(=O)c1cnn2cc(Br)cnc12)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001456144646 1066520741 /nfs/dbraw/zinc/52/07/41/1066520741.db2.gz OJARIUWRXXWKDP-HXUWFJFHSA-N 0 0 453.315 4.883 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C1 ZINC001546079970 1066520856 /nfs/dbraw/zinc/52/08/56/1066520856.db2.gz XULRPKJODCMSOJ-IDISGSTGSA-N 0 0 469.674 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361194315 1066521067 /nfs/dbraw/zinc/52/10/67/1066521067.db2.gz KBYBRFKBODNSMV-LJQANCHMSA-N 0 0 487.645 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)Cc3cc(Br)ccc3F)n2CCSC(C)C)o1 ZINC001361194630 1066521187 /nfs/dbraw/zinc/52/11/87/1066521187.db2.gz SCRNIGQHVGARTR-UHFFFAOYSA-N 0 0 497.434 4.889 20 0 JJADRN C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CCN1C(=O)OC(C)(C)C ZINC001456146981 1066521451 /nfs/dbraw/zinc/52/14/51/1066521451.db2.gz GBMQLHIXPGOCLG-RVSNTGDXSA-N 0 0 450.579 4.863 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC001444954543 1066522111 /nfs/dbraw/zinc/52/21/11/1066522111.db2.gz XFKBEMKOBZGLGN-GOSISDBHSA-N 0 0 457.958 4.674 20 0 JJADRN Cc1cc(-c2csc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)n2)c(F)cc1F ZINC001444956850 1066522534 /nfs/dbraw/zinc/52/25/34/1066522534.db2.gz LNAAXWTYKJJHHC-UHFFFAOYSA-N 0 0 457.911 4.674 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361195569 1066522394 /nfs/dbraw/zinc/52/23/94/1066522394.db2.gz CXHTUONUQGVKIC-SCLBCKFNSA-N 0 0 488.869 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361195570 1066522505 /nfs/dbraw/zinc/52/25/05/1066522505.db2.gz CXHTUONUQGVKIC-UGSOOPFHSA-N 0 0 488.869 4.874 20 0 JJADRN C[C@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1ccccc1C(F)(F)F ZINC001456149368 1066522474 /nfs/dbraw/zinc/52/24/74/1066522474.db2.gz VHOHQNZEGWSTGH-KRWDZBQOSA-N 0 0 455.480 4.940 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361195909 1066522952 /nfs/dbraw/zinc/52/29/52/1066522952.db2.gz HAVUYJXQQGPIEN-CEWLAPEOSA-N 0 0 495.624 4.972 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2ccccc2Cl)o1 ZINC001361196037 1066522994 /nfs/dbraw/zinc/52/29/94/1066522994.db2.gz JIOGUOGOAAMMEO-KXBFYZLASA-N 0 0 471.989 4.898 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2cc(Cl)cc(C)c2N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444963506 1066523486 /nfs/dbraw/zinc/52/34/86/1066523486.db2.gz ZPEUHOGTBDZCTK-HSZRJFAPSA-N 0 0 456.995 4.716 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001456151193 1066523456 /nfs/dbraw/zinc/52/34/56/1066523456.db2.gz MHUMYVNHSPXRDT-UHFFFAOYSA-N 0 0 453.739 4.941 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC001444966138 1066523928 /nfs/dbraw/zinc/52/39/28/1066523928.db2.gz FLHRGAQVFKSVBB-ZHRRBRCNSA-N 0 0 458.580 4.589 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361196455 1066523940 /nfs/dbraw/zinc/52/39/40/1066523940.db2.gz QCFQFUNUHVBQLR-SKGNMZKYSA-N 0 0 479.488 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361196255 1066524006 /nfs/dbraw/zinc/52/40/06/1066524006.db2.gz MXAWSIAAGDVDNY-LIRRHRJNSA-N 0 0 473.524 4.522 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361196242 1066524062 /nfs/dbraw/zinc/52/40/62/1066524062.db2.gz MMUWANZBLIFHMO-KSSFIOAISA-N 0 0 454.880 4.899 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1)NC(=O)OC(C)(C)C ZINC001545971082 1066524567 /nfs/dbraw/zinc/52/45/67/1066524567.db2.gz RHOVPMWBWVOAIZ-FQEVSTJZSA-N 0 0 497.619 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361196459 1066524503 /nfs/dbraw/zinc/52/45/03/1066524503.db2.gz QDIFYVIFERHOIP-OXQOHEQNSA-N 0 0 469.561 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCn2cc(Br)cn2)o1 ZINC001361196759 1066524530 /nfs/dbraw/zinc/52/45/30/1066524530.db2.gz TWJJNCYBZLXDIP-HNNXBMFYSA-N 0 0 461.408 4.768 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCNC(=O)C(C)C)cc1Br ZINC001361196976 1066524844 /nfs/dbraw/zinc/52/48/44/1066524844.db2.gz WQVCQQJEGVVBJV-CALCHBBNSA-N 0 0 476.463 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C4CC4)C3)n2CC(F)(F)F)cc1Br ZINC001361196810 1066524908 /nfs/dbraw/zinc/52/49/08/1066524908.db2.gz UPBAPUZPHXZJIZ-WBMJQRKESA-N 0 0 459.310 4.582 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)Cc2cccs2)o1 ZINC001361196827 1066524973 /nfs/dbraw/zinc/52/49/73/1066524973.db2.gz USURYGXMFBMGBO-QIIPPGSGSA-N 0 0 454.518 4.943 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H](c3ccc(C)cc3)c3cccc(S(C)(=O)=O)c3)[nH]n2)cc1 ZINC001444972940 1066525143 /nfs/dbraw/zinc/52/51/43/1066525143.db2.gz NDZJCZBLMQOWPD-RUZDIDTESA-N 0 0 459.571 4.616 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1 ZINC001444974326 1066525155 /nfs/dbraw/zinc/52/51/55/1066525155.db2.gz OZNMKQZESCKFBL-PDIWNELESA-N 0 0 456.558 4.880 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545971143 1066525482 /nfs/dbraw/zinc/52/54/82/1066525482.db2.gz SHVAYTUNTWNKTO-UXHICEINSA-N 0 0 487.645 4.508 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(OC)CC1)Oc1cccc(F)c1 ZINC001545971149 1066525635 /nfs/dbraw/zinc/52/56/35/1066525635.db2.gz SIKZOJTYUCARBW-NLFFAJNJSA-N 0 0 453.562 4.732 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545971152 1066525645 /nfs/dbraw/zinc/52/56/45/1066525645.db2.gz SIZOJWXCSQQJLT-INIZCTEOSA-N 0 0 474.606 4.789 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc4c(ccc(Br)c4C)[nH]3)ccc2NC1=O ZINC001444981724 1066526037 /nfs/dbraw/zinc/52/60/37/1066526037.db2.gz AZQWRGJDHKGGOC-BLVKFPJESA-N 0 0 456.340 4.839 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(F)cn2)cc1Br ZINC001361197348 1066525963 /nfs/dbraw/zinc/52/59/63/1066525963.db2.gz ZJZYLEVUTRLBNV-OAHLLOKOSA-N 0 0 474.378 4.602 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc4c(ccc(Br)c4C)[nH]3)ccc2NC1=O ZINC001444981732 1066526079 /nfs/dbraw/zinc/52/60/79/1066526079.db2.gz AZQWRGJDHKGGOC-HXPMCKFVSA-N 0 0 456.340 4.839 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCCc2ccccc2F)o1 ZINC001361198024 1066526364 /nfs/dbraw/zinc/52/63/64/1066526364.db2.gz FUAMHXHTGMQALD-HXUWFJFHSA-N 0 0 481.616 4.996 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C)Oc2ccccc2F)o1 ZINC001361198134 1066526380 /nfs/dbraw/zinc/52/63/80/1066526380.db2.gz JQTMTOMOAHNMPR-IBGZPJMESA-N 0 0 483.588 4.536 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C(=O)OCC ZINC001456165211 1066526637 /nfs/dbraw/zinc/52/66/37/1066526637.db2.gz VMABQCYXYLEJDN-OAQYLSRUSA-N 0 0 450.377 4.657 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3sc(SC(F)(F)F)nc3C)ccc2NC1=O ZINC001444992422 1066527559 /nfs/dbraw/zinc/52/75/59/1066527559.db2.gz VXNICTHJQISDIZ-TVQRCGJNSA-N 0 0 459.515 4.593 20 0 JJADRN C[C@@H](CC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001456169564 1066527420 /nfs/dbraw/zinc/52/74/20/1066527420.db2.gz WBPLXBJJWNKSHD-KXBFYZLASA-N 0 0 458.521 4.528 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001456170278 1066527627 /nfs/dbraw/zinc/52/76/27/1066527627.db2.gz MXRJCTOVPHQSBM-NQIIRXRSSA-N 0 0 450.595 4.710 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001444996818 1066527855 /nfs/dbraw/zinc/52/78/55/1066527855.db2.gz IGBIKGVYUUEMHS-HXUWFJFHSA-N 0 0 453.539 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)C1 ZINC001444995615 1066528071 /nfs/dbraw/zinc/52/80/71/1066528071.db2.gz CQMVOKCRZBVIKY-VWLOTQADSA-N 0 0 453.539 4.554 20 0 JJADRN COc1ccc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)c(C(=O)NC2CC2)c1 ZINC001456172301 1066528380 /nfs/dbraw/zinc/52/83/80/1066528380.db2.gz YBYGQTVTZXJLPZ-UHFFFAOYSA-N 0 0 452.457 4.697 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](C)Sc3ccccc3)cc2)ccc1F ZINC001445000036 1066528402 /nfs/dbraw/zinc/52/84/02/1066528402.db2.gz RMFZAQDPUMYHKM-KRWDZBQOSA-N 0 0 458.580 4.846 20 0 JJADRN C[C@]1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CCOc2ccccc21 ZINC001456173834 1066528436 /nfs/dbraw/zinc/52/84/36/1066528436.db2.gz UQQJAGVHFIXTMA-QHCPKHFHSA-N 0 0 456.951 4.569 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)c1 ZINC001456173818 1066528595 /nfs/dbraw/zinc/52/85/95/1066528595.db2.gz NIQBQABEJWXVTP-UHFFFAOYSA-N 0 0 450.601 4.649 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C12CCCCC2 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DORWHMZGWXNUTF-UHFFFAOYSA-N 0 0 453.029 4.733 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC001445025420 1066530631 /nfs/dbraw/zinc/53/06/31/1066530631.db2.gz BUTSPMNINZIBPJ-HXUWFJFHSA-N 0 0 457.574 4.829 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361201453 1066530954 /nfs/dbraw/zinc/53/09/54/1066530954.db2.gz BMQARCFJZNSPRV-LQSAPBONSA-N 0 0 465.461 4.552 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCS2)o1 ZINC001361200513 1066531038 /nfs/dbraw/zinc/53/10/38/1066531038.db2.gz YOOSZPRDESWMPM-CEXWTWQISA-N 0 0 475.659 4.872 20 0 JJADRN C[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc(C(C)(C)C)cs1 ZINC001456181013 1066531416 /nfs/dbraw/zinc/53/14/16/1066531416.db2.gz UVVNXIMLJDMORH-GFCCVEGCSA-N 0 0 458.634 4.818 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC(C2CCCC2)CC1 ZINC001445036504 1066531572 /nfs/dbraw/zinc/53/15/72/1066531572.db2.gz KYLRWTKGZOWQBV-LJQANCHMSA-N 0 0 452.382 4.627 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ccccc4CO)CC3)n2CC(F)(F)Br)o1 ZINC001361202526 1066532451 /nfs/dbraw/zinc/53/24/51/1066532451.db2.gz PUQOROQUGPLANZ-UHFFFAOYSA-N 0 0 481.341 4.711 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)nn1-c1ccc(Br)cc1 ZINC001456185279 1066532499 /nfs/dbraw/zinc/53/24/99/1066532499.db2.gz NTICPSXWDRTHJN-UHFFFAOYSA-N 0 0 455.356 4.642 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2nc(Br)sc2C2CC2)c1 ZINC001456186572 1066532553 /nfs/dbraw/zinc/53/25/53/1066532553.db2.gz GDWKBHIRRYXYAT-UHFFFAOYSA-N 0 0 457.415 4.749 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)C1 ZINC001445041285 1066532461 /nfs/dbraw/zinc/53/24/61/1066532461.db2.gz SRMGYLJMVFPJGV-HNNXBMFYSA-N 0 0 450.954 4.862 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H](C)Oc3ccc4ccccc4c3)CC2)cs1 ZINC001445042096 1066532580 /nfs/dbraw/zinc/53/25/80/1066532580.db2.gz AGNZIXYHBJMRDF-OALUTQOASA-N 0 0 453.608 4.506 20 0 JJADRN C[C@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C[C@H](C)S1 ZINC001445041781 1066532650 /nfs/dbraw/zinc/53/26/50/1066532650.db2.gz BNLKZVBCHOCCRP-UWVGGRQHSA-N 0 0 454.852 4.541 20 0 JJADRN CS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)C1 ZINC001445041400 1066532663 /nfs/dbraw/zinc/53/26/63/1066532663.db2.gz SZVPRNSBMKCLBS-KBPBESRZSA-N 0 0 451.386 4.675 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C(=O)N1c1ccccc1 ZINC001361203019 1066532951 /nfs/dbraw/zinc/53/29/51/1066532951.db2.gz NSXQPDZVSZZLFO-QRWLVFNGSA-N 0 0 455.436 4.817 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361203161 1066533395 /nfs/dbraw/zinc/53/33/95/1066533395.db2.gz XZTSBZMHHNNEMK-NSHGMRRFSA-N 0 0 457.619 4.976 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1 ZINC001456188882 1066533454 /nfs/dbraw/zinc/53/34/54/1066533454.db2.gz TYNYDKNFNOFVNY-UHFFFAOYSA-N 0 0 452.960 4.874 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)S1 ZINC001445049609 1066533550 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JJADRN Cc1nc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)ccc1I ZINC001361204692 1066535592 /nfs/dbraw/zinc/53/55/92/1066535592.db2.gz FUSLRYKJSPXAAR-VIFPVBQESA-N 0 0 451.091 4.707 20 0 JJADRN O=C(NCCc1c(F)cc(O)cc1F)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001456199217 1066535706 /nfs/dbraw/zinc/53/57/06/1066535706.db2.gz VCWQZOVMJHDQQI-UHFFFAOYSA-N 0 0 459.802 4.560 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1ccnn1C1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456199874 1066535726 /nfs/dbraw/zinc/53/57/26/1066535726.db2.gz YYRLOGZVEWWQFI-NBGIEHNGSA-N 0 0 450.627 4.624 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC001456200361 1066536329 /nfs/dbraw/zinc/53/63/29/1066536329.db2.gz WHWRVLHSBWTMQB-CZAAIQMYSA-N 0 0 459.512 4.543 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3ccc(OCc4cccnc4)c(Cl)c3)c(N)cc2F)c1 ZINC001445072067 1066536409 /nfs/dbraw/zinc/53/64/09/1066536409.db2.gz CBGPOTCSZKQIOY-UHFFFAOYSA-N 0 0 451.889 4.782 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cc1ccc(I)cc1 ZINC001456201323 1066536714 /nfs/dbraw/zinc/53/67/14/1066536714.db2.gz IDSLCQKJNNUZHW-GOSISDBHSA-N 0 0 455.311 4.583 20 0 JJADRN COC[C@]1(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445081112 1066537019 /nfs/dbraw/zinc/53/70/19/1066537019.db2.gz KLSOPQBEVQBGSS-VWLOTQADSA-N 0 0 456.587 4.823 20 0 JJADRN Cc1cc(C(=O)NCCc2cccc(OCCCc3ccccc3)c2)ccc1N1CCNC1=O ZINC001456202694 1066537208 /nfs/dbraw/zinc/53/72/08/1066537208.db2.gz UIJTWPYYGQPWHC-UHFFFAOYSA-N 0 0 457.574 4.509 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1C ZINC001456204000 1066537262 /nfs/dbraw/zinc/53/72/62/1066537262.db2.gz XZVLOJAUNXFOGQ-OAQYLSRUSA-N 0 0 452.558 4.972 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1C ZINC001456203993 1066537274 /nfs/dbraw/zinc/53/72/74/1066537274.db2.gz XZVLOJAUNXFOGQ-NRFANRHFSA-N 0 0 452.558 4.972 20 0 JJADRN CCOc1ccc(CC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 ZINC001456202375 1066537326 /nfs/dbraw/zinc/53/73/26/1066537326.db2.gz LAFPVZGFNRKHNG-ZBLYBZFDSA-N 0 0 450.623 4.640 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC(F)(F)c2ccccc2)o1 ZINC001361205737 1066537481 /nfs/dbraw/zinc/53/74/81/1066537481.db2.gz QXIKFZVYOWURSG-UHFFFAOYSA-N 0 0 497.468 4.533 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccc(F)cc2)o1 ZINC001361205713 1066537513 /nfs/dbraw/zinc/53/75/13/1066537513.db2.gz QIQXUXPSXCTSFE-RTBURBONSA-N 0 0 499.587 4.804 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1c(F)cccc1I ZINC001456206311 1066537618 /nfs/dbraw/zinc/53/76/18/1066537618.db2.gz ZPTZHMVEGWBNMD-MRXNPFEDSA-N 0 0 459.274 4.793 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456206226 1066537750 /nfs/dbraw/zinc/53/77/50/1066537750.db2.gz ZJKYLZXCJUBFPG-GOSISDBHSA-N 0 0 455.311 4.962 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)C[C@@H]3CCN3C(=O)OC(C)(C)C)c12 ZINC001456208135 1066537768 /nfs/dbraw/zinc/53/77/68/1066537768.db2.gz GGSXAPAOSLTETF-KRWDZBQOSA-N 0 0 457.619 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@](C)(O)c2cccs2)cc1Br ZINC001361205897 1066537808 /nfs/dbraw/zinc/53/78/08/1066537808.db2.gz WUABRWNBTAKDDX-LJQANCHMSA-N 0 0 483.382 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@](C)(O)c2cccs2)cc1Br ZINC001361205896 1066537836 /nfs/dbraw/zinc/53/78/36/1066537836.db2.gz WUABRWNBTAKDDX-IBGZPJMESA-N 0 0 483.382 4.831 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)cc2)o1 ZINC001361205821 1066537994 /nfs/dbraw/zinc/53/79/94/1066537994.db2.gz UMRMFKANBVIOAH-SFHVURJKSA-N 0 0 471.989 4.899 20 0 JJADRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001456209013 1066538233 /nfs/dbraw/zinc/53/82/33/1066538233.db2.gz BTUBSEWYTPETEA-MJGOQNOKSA-N 0 0 460.372 4.853 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361205991 1066538318 /nfs/dbraw/zinc/53/83/18/1066538318.db2.gz ZYOVBAUEIVBKHV-BEFAXECRSA-N 0 0 484.601 4.606 20 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C[C@@H](O)c1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)cc1 ZINC001445131120 1066540241 /nfs/dbraw/zinc/54/02/41/1066540241.db2.gz XGHUISYGZIKBTC-SECBINFHSA-N 0 0 450.103 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)c2ccc(F)cc2)o1 ZINC001361207606 1066540520 /nfs/dbraw/zinc/54/05/20/1066540520.db2.gz WDHJMHMZIRLDCL-UZLBHIALSA-N 0 0 469.561 4.893 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cn1 ZINC001445153091 1066540762 /nfs/dbraw/zinc/54/07/62/1066540762.db2.gz MCFSYBCABYUWEW-UHFFFAOYSA-N 0 0 450.491 4.731 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001456227145 1066540826 /nfs/dbraw/zinc/54/08/26/1066540826.db2.gz RMHCARMKMCQUBJ-FCHUYYIVSA-N 0 0 478.655 4.956 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)n2CCC(C)(F)F)o1 ZINC001361207707 1066540971 /nfs/dbraw/zinc/54/09/71/1066540971.db2.gz XLYHTHHCUQFTQT-UHFFFAOYSA-N 0 0 476.503 4.821 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)no1 ZINC001456230283 1066541108 /nfs/dbraw/zinc/54/11/08/1066541108.db2.gz OMGKNRJYTCIHLK-FQEVSTJZSA-N 0 0 452.511 4.552 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 ZINC001456230825 1066541163 /nfs/dbraw/zinc/54/11/63/1066541163.db2.gz QERZUMHFHQBYFB-LDQXTDLNSA-N 0 0 468.352 4.891 20 0 JJADRN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456231004 1066541217 /nfs/dbraw/zinc/54/12/17/1066541217.db2.gz XIUGSHFZGFUFNH-LLVKDONJSA-N 0 0 456.383 4.685 20 0 JJADRN Cc1nnc(COCC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)s1 ZINC001456230117 1066541231 /nfs/dbraw/zinc/54/12/31/1066541231.db2.gz NKKIAPBKANODME-GOSISDBHSA-N 0 0 454.354 4.909 20 0 JJADRN Cc1nnc(COCC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)s1 ZINC001456230127 1066541288 /nfs/dbraw/zinc/54/12/88/1066541288.db2.gz NKKIAPBKANODME-SFHVURJKSA-N 0 0 454.354 4.909 20 0 JJADRN CCCCCOC1CN(C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445165351 1066541622 /nfs/dbraw/zinc/54/16/22/1066541622.db2.gz KNZFFQWBVKWQNI-IBGZPJMESA-N 0 0 450.579 4.579 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@](C)(O)c2cccc(Cl)c2)o1 ZINC001361209059 1066541686 /nfs/dbraw/zinc/54/16/86/1066541686.db2.gz KHGJKEVHAMBECW-DEOSSOPVSA-N 0 0 458.990 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)o1 ZINC001361208962 1066541764 /nfs/dbraw/zinc/54/17/64/1066541764.db2.gz IIUGCNZBGIAYOQ-SJLPKXTDSA-N 0 0 470.536 4.581 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCOC2)cc1Br ZINC001361209072 1066542311 /nfs/dbraw/zinc/54/23/11/1066542311.db2.gz KNCUBPZCZBCAGZ-GOSISDBHSA-N 0 0 477.447 4.836 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445166279 1066542392 /nfs/dbraw/zinc/54/23/92/1066542392.db2.gz RPFNKWZNLGIUNW-ROUUACIJSA-N 0 0 450.560 4.612 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)NC[C@H]2OCCc3ccccc32)cs1 ZINC001456240539 1066542622 /nfs/dbraw/zinc/54/26/22/1066542622.db2.gz CCASXGHZGGSBII-LJQANCHMSA-N 0 0 459.365 4.625 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4oncc4C3)n2CCCOCC(C)C)cc1Br ZINC001361210159 1066543138 /nfs/dbraw/zinc/54/31/38/1066543138.db2.gz CCRRAVWPMHPPFY-UHFFFAOYSA-N 0 0 474.403 4.629 20 0 JJADRN Cc1cnc2c(cnn2CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001456242036 1066543333 /nfs/dbraw/zinc/54/33/33/1066543333.db2.gz BWOBZCJEQJFWKG-UHFFFAOYSA-N 0 0 454.317 4.938 20 0 JJADRN CCc1ccc([C@H](C)CC(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001445176403 1066543471 /nfs/dbraw/zinc/54/34/71/1066543471.db2.gz UDFCVSSMXAVBDR-LJQANCHMSA-N 0 0 452.624 4.631 20 0 JJADRN CC(C)n1cc([C@@H](C)NC(=O)C[C@@H](C)CCc2ccc(I)cc2)cn1 ZINC001456241876 1066543666 /nfs/dbraw/zinc/54/36/66/1066543666.db2.gz MARCJHZLXXGICY-JKSUJKDBSA-N 0 0 453.368 4.905 20 0 JJADRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001456243286 1066543683 /nfs/dbraw/zinc/54/36/83/1066543683.db2.gz BVSGJFSCELHUAR-JXFKEZNVSA-N 0 0 452.414 4.715 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)C2)c1 ZINC001445176525 1066543790 /nfs/dbraw/zinc/54/37/90/1066543790.db2.gz UZVZEAJQHNDALE-PAEMTNLTSA-N 0 0 452.551 4.840 20 0 JJADRN O=C(CCc1nnc(C(F)F)o1)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456243418 1066544132 /nfs/dbraw/zinc/54/41/32/1066544132.db2.gz GGPVNZJUGKVBBJ-UHFFFAOYSA-N 0 0 456.236 4.533 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cc(C)ccc2I)cc1)C(C)C ZINC001456243518 1066544256 /nfs/dbraw/zinc/54/42/56/1066544256.db2.gz AGYBUZVRLPCBRQ-UHFFFAOYSA-N 0 0 450.320 4.609 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)C2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001545972477 1066544447 /nfs/dbraw/zinc/54/44/47/1066544447.db2.gz GYWDNAKNCWXXTK-MOPGFXCFSA-N 0 0 456.635 4.603 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC4(CCC4)C3)n2CCCCCS(C)(=O)=O)cc1Br ZINC001361210952 1066544628 /nfs/dbraw/zinc/54/46/28/1066544628.db2.gz WJWPREPAOKTHDK-UHFFFAOYSA-N 0 0 495.487 4.611 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)Nc1nnc(Cc2ccccc2F)s1 ZINC001456244838 1066544689 /nfs/dbraw/zinc/54/46/89/1066544689.db2.gz SCLVYQXHNKEYEH-UHFFFAOYSA-N 0 0 450.333 4.828 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1)OC ZINC001545972503 1066544839 /nfs/dbraw/zinc/54/48/39/1066544839.db2.gz HSYNWUHGMFVHAT-NRFANRHFSA-N 0 0 451.615 4.696 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)C[C@H](C)O1 ZINC001456245601 1066544780 /nfs/dbraw/zinc/54/47/80/1066544780.db2.gz ACRNYKVHCCEXQL-BGYRXZFFSA-N 0 0 454.636 4.960 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCc1cccc(OC(F)(F)F)c1 ZINC001361211600 1066544950 /nfs/dbraw/zinc/54/49/50/1066544950.db2.gz UTOGSRWPRCXILT-QGZVFWFLSA-N 0 0 457.832 4.595 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3csc(-c4ccc(C(C)C)cc4)n3)C2)c1 ZINC001361211187 1066545071 /nfs/dbraw/zinc/54/50/71/1066545071.db2.gz HZKQXZYJHWAHPM-LJQANCHMSA-N 0 0 451.592 4.959 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]4CCC[C@@H]43)n2CCSCCCO)cc1Br ZINC001361211173 1066545117 /nfs/dbraw/zinc/54/51/17/1066545117.db2.gz YTBDIXRPZLGPPH-APWZRJJASA-N 0 0 465.461 4.510 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC001456247014 1066545337 /nfs/dbraw/zinc/54/53/37/1066545337.db2.gz GSECGBIGCBUYFQ-FYYLOGMGSA-N 0 0 452.551 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361211769 1066545612 /nfs/dbraw/zinc/54/56/12/1066545612.db2.gz ACEMNCHMJUBOKY-XJKSGUPXSA-N 0 0 455.347 4.677 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)Nc1c(F)cccc1NC1CC1 ZINC001445214160 1066545793 /nfs/dbraw/zinc/54/57/93/1066545793.db2.gz FAWPWISJOALTPR-SFHVURJKSA-N 0 0 453.436 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)o1 ZINC001361211972 1066546058 /nfs/dbraw/zinc/54/60/58/1066546058.db2.gz FDKPNQFGMZILAQ-CCLHPLFOSA-N 0 0 485.673 4.557 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@@H](c3ccncc3)C3CCCCC3)CC2)cs1 ZINC001445218722 1066546159 /nfs/dbraw/zinc/54/61/59/1066546159.db2.gz XCMWRRMTOIZCNG-AUSIDOKSSA-N 0 0 456.656 4.644 20 0 JJADRN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001456250137 1066546108 /nfs/dbraw/zinc/54/61/08/1066546108.db2.gz YZOYXXGAKMSJFZ-JOCHJYFZSA-N 0 0 455.482 4.709 20 0 JJADRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456251463 1066546114 /nfs/dbraw/zinc/54/61/14/1066546114.db2.gz QEPZTZHZECIUBJ-FKIZINRSSA-N 0 0 458.301 4.808 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@@H]1OCCc2ccccc21)Nc1ccc(F)cc1 ZINC001456249020 1066546145 /nfs/dbraw/zinc/54/61/45/1066546145.db2.gz KHTXIAHBJMUWRX-QFIPXVFZSA-N 0 0 450.535 4.600 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cs1 ZINC001445217375 1066546218 /nfs/dbraw/zinc/54/62/18/1066546218.db2.gz SBPIDZWNAOIEIP-LJQANCHMSA-N 0 0 452.624 4.513 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H]2CC(F)(F)CO2)cc1Br ZINC001361212086 1066546317 /nfs/dbraw/zinc/54/63/17/1066546317.db2.gz GVRUKTBUVNFXTJ-LSDHHAIUSA-N 0 0 491.327 4.922 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H]2CC(F)(F)CO2)cc1Br ZINC001361212083 1066546338 /nfs/dbraw/zinc/54/63/38/1066546338.db2.gz GVRUKTBUVNFXTJ-CABCVRRESA-N 0 0 491.327 4.922 20 0 JJADRN CCOc1cc(C(=O)Nc2cc(F)ccc2NC(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001445221120 1066546494 /nfs/dbraw/zinc/54/64/94/1066546494.db2.gz ITPHQRPRGFNETG-UHFFFAOYSA-N 0 0 457.546 4.688 20 0 JJADRN CCc1nc2ccccc2c(C(=O)N2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1C ZINC001445219474 1066546627 /nfs/dbraw/zinc/54/66/27/1066546627.db2.gz YXNDYDYOAOEQOW-SFHVURJKSA-N 0 0 452.624 4.618 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CCC(=O)NC(C)C)cc1Br ZINC001361212368 1066547005 /nfs/dbraw/zinc/54/70/05/1066547005.db2.gz MGFALPGQRCXBCB-INIZCTEOSA-N 0 0 462.436 4.557 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)c1 ZINC001361212655 1066547261 /nfs/dbraw/zinc/54/72/61/1066547261.db2.gz HGNGQXSLFDUMAO-LAUBAEHRSA-N 0 0 458.624 4.929 20 0 JJADRN CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001445229509 1066547739 /nfs/dbraw/zinc/54/77/39/1066547739.db2.gz ZSCYHZJPCNHEIX-UHFFFAOYSA-N 0 0 459.518 4.767 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)n2CCCNC(=O)C2CCC2)cc1Br ZINC001361213178 1066547909 /nfs/dbraw/zinc/54/79/09/1066547909.db2.gz UFWZODRVMLGMIE-MRXNPFEDSA-N 0 0 474.447 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001445230848 1066548096 /nfs/dbraw/zinc/54/80/96/1066548096.db2.gz GGOQTEWETMMJHY-LJQANCHMSA-N 0 0 456.587 4.650 20 0 JJADRN COc1ccc(CNC(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)c(OC2CCCC2)c1 ZINC001445237073 1066548370 /nfs/dbraw/zinc/54/83/70/1066548370.db2.gz GLSODHDDVFWCHL-UHFFFAOYSA-N 0 0 450.413 4.812 20 0 JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001445236188 1066548490 /nfs/dbraw/zinc/54/84/90/1066548490.db2.gz FAFMKZSXZYLIHL-HXUWFJFHSA-N 0 0 451.910 4.678 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2Cc2ccc(OCC(C)C)cc2)o1 ZINC001361213827 1066548640 /nfs/dbraw/zinc/54/86/40/1066548640.db2.gz BLSCZZJOJIWFDJ-JOCHJYFZSA-N 0 0 479.625 4.671 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@](C)(O)C2CCCCC2)o1 ZINC001361213829 1066548752 /nfs/dbraw/zinc/54/87/52/1066548752.db2.gz BNKCHWVPOZDBCF-AVRDEDQJSA-N 0 0 470.536 4.726 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262340 1066549007 /nfs/dbraw/zinc/54/90/07/1066549007.db2.gz DSOZOQXVUVOIGI-UYAOXDASSA-N 0 0 453.888 4.838 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Br)c12)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001445250502 1066549102 /nfs/dbraw/zinc/54/91/02/1066549102.db2.gz YWIXAJWOEHKKPN-FQEVSTJZSA-N 0 0 453.336 4.828 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCCN(C)c2ccccc2)o1 ZINC001361213893 1066549231 /nfs/dbraw/zinc/54/92/31/1066549231.db2.gz CXAPIJZAFBRNJH-JOCHJYFZSA-N 0 0 492.668 4.894 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCN(C)c2ccccc2)o1 ZINC001361213878 1066549268 /nfs/dbraw/zinc/54/92/68/1066549268.db2.gz CQLYSRYWPCSFNG-QFIPXVFZSA-N 0 0 494.640 4.819 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1OC ZINC001456264063 1066549385 /nfs/dbraw/zinc/54/93/85/1066549385.db2.gz BMJPECWWUSJFIE-KRWDZBQOSA-N 0 0 457.530 4.511 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cs1 ZINC001445258177 1066549598 /nfs/dbraw/zinc/54/95/98/1066549598.db2.gz HSHSRSWQBJUNFE-RUZDIDTESA-N 0 0 455.624 4.607 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)c2ccccn2)o1 ZINC001361214183 1066549776 /nfs/dbraw/zinc/54/97/76/1066549776.db2.gz KGMLUNVOUQCGGG-IBGZPJMESA-N 0 0 480.613 4.713 20 0 JJADRN COCCc1nc2cc(NC(=O)COc3ccc4cc(Br)ccc4c3)ccc2o1 ZINC001445264889 1066550060 /nfs/dbraw/zinc/55/00/60/1066550060.db2.gz YGLXFTNSERVYAB-UHFFFAOYSA-N 0 0 455.308 4.950 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccc(-n2cccc2)c1 ZINC001456266567 1066550061 /nfs/dbraw/zinc/55/00/61/1066550061.db2.gz CISZLVPWOYCFBN-UHFFFAOYSA-N 0 0 452.482 4.982 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1)c1ccc(Br)o1 ZINC001445267367 1066550310 /nfs/dbraw/zinc/55/03/10/1066550310.db2.gz CLTOPBGMQOQPJU-DLBZAZTESA-N 0 0 459.340 4.658 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCc2cccc(F)c2)o1 ZINC001361214464 1066550582 /nfs/dbraw/zinc/55/05/82/1066550582.db2.gz QEKDYGFMICMDLO-HXUWFJFHSA-N 0 0 483.588 4.969 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@@H](C)c1nc(-c3ccc(Cl)cc3)no1)O2 ZINC001456269173 1066550604 /nfs/dbraw/zinc/55/06/04/1066550604.db2.gz NNVIBSZRJIUUGS-IZHWHUGBSA-N 0 0 455.942 4.982 20 0 JJADRN CC(C)(C)OC1CC(CC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 ZINC001456269771 1066550710 /nfs/dbraw/zinc/55/07/10/1066550710.db2.gz JVGGYQQOMMORNH-UHFFFAOYSA-N 0 0 451.535 4.861 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1coc(-c2ccccc2)n1 ZINC001456272328 1066551709 /nfs/dbraw/zinc/55/17/09/1066551709.db2.gz UNXUKTSIAPEPNR-UHFFFAOYSA-N 0 0 454.454 4.846 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)nn1-c1ccccc1Br ZINC001445274848 1066551795 /nfs/dbraw/zinc/55/17/95/1066551795.db2.gz OKDKEJZWQKGUFK-HNNXBMFYSA-N 0 0 458.381 4.882 20 0 JJADRN Cc1cc(Br)cc2c1N(C(=O)CSCC(=O)N(C)C1CCCCC1)CCC2 ZINC001361215083 1066552195 /nfs/dbraw/zinc/55/21/95/1066552195.db2.gz FXTGGGQZGBTAKU-UHFFFAOYSA-N 0 0 453.446 4.561 20 0 JJADRN O=Cc1ccc(OCC(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c(Br)c1 ZINC001445278318 1066552337 /nfs/dbraw/zinc/55/23/37/1066552337.db2.gz UVFIKHTXOOIUHQ-IBGZPJMESA-N 0 0 458.352 4.685 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](c4ccccc4)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361216937 1066552476 /nfs/dbraw/zinc/55/24/76/1066552476.db2.gz BYLXFCIISJHPOI-CVDCTZTESA-N 0 0 495.624 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361216936 1066552505 /nfs/dbraw/zinc/55/25/05/1066552505.db2.gz BYLXFCIISJHPOI-AUSIDOKSSA-N 0 0 495.624 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2Cc2ccc(F)cc2C(F)(F)F)o1 ZINC001361217113 1066552565 /nfs/dbraw/zinc/55/25/65/1066552565.db2.gz FKULVKBJYKHLCI-UHFFFAOYSA-N 0 0 493.505 4.747 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)C2)cc1 ZINC001445281811 1066552782 /nfs/dbraw/zinc/55/27/82/1066552782.db2.gz BSVISXZNHZNWBL-RBBKRZOGSA-N 0 0 455.396 4.973 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)Oc1ccccc1C(F)(F)F ZINC001445282865 1066552841 /nfs/dbraw/zinc/55/28/41/1066552841.db2.gz DBKZMXVVHHLNPK-KYJSFNMBSA-N 0 0 458.521 4.918 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC[C@@H](C)C3)n2CC2(S(C)(=O)=O)CCC2)cc1Br ZINC001361217362 1066553035 /nfs/dbraw/zinc/55/30/35/1066553035.db2.gz CNKGMKNRXJYTTI-MRXNPFEDSA-N 0 0 495.487 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@H](C)Oc2ccccc2)o1 ZINC001361217677 1066553302 /nfs/dbraw/zinc/55/33/02/1066553302.db2.gz LDALLUPVTKXZAF-OAQYLSRUSA-N 0 0 481.597 4.619 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N3CCOC[C@@H]3CC(=O)c3cccs3)cc2)n1 ZINC001445284471 1066553389 /nfs/dbraw/zinc/55/33/89/1066553389.db2.gz JLOAQXRVTHHZPU-SFHVURJKSA-N 0 0 458.630 4.919 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1(CC)CC ZINC001445286954 1066553862 /nfs/dbraw/zinc/55/38/62/1066553862.db2.gz LRSRCTZWVUARND-DRGJWEBESA-N 0 0 458.462 4.779 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CC[C@H](C(F)(F)F)C3)ccc2C)c(C)c1 ZINC001456277220 1066553905 /nfs/dbraw/zinc/55/39/05/1066553905.db2.gz JEUPAQXCPBGNRP-SFHVURJKSA-N 0 0 454.514 4.745 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)n2CCCC(C)(C)C)o1 ZINC001361217774 1066554082 /nfs/dbraw/zinc/55/40/82/1066554082.db2.gz MJXZQAGZYSJYAR-UHFFFAOYSA-N 0 0 485.654 4.574 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3cccnc3)C(C)C)cc2)c1 ZINC001445288215 1066554376 /nfs/dbraw/zinc/55/43/76/1066554376.db2.gz NJKMIDQDYOQPCV-QHCPKHFHSA-N 0 0 451.592 4.669 20 0 JJADRN O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001456279871 1066554432 /nfs/dbraw/zinc/55/44/32/1066554432.db2.gz GDZCGRTYIXZZSV-UHFFFAOYSA-N 0 0 456.184 4.592 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)C1CCCCC1 ZINC001456278744 1066554526 /nfs/dbraw/zinc/55/45/26/1066554526.db2.gz MSOYXZZIRHLNOT-JOCHJYFZSA-N 0 0 453.583 4.864 20 0 JJADRN Cn1cc(CNc2ccc(C(=O)N3CCc4cc(Cl)cc(Br)c4C3)cc2)cn1 ZINC001456281181 1066554877 /nfs/dbraw/zinc/55/48/77/1066554877.db2.gz LZDLOOOIOWAJBA-UHFFFAOYSA-N 0 0 459.775 4.647 20 0 JJADRN CCCC[C@@H](CCC)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001445292724 1066554946 /nfs/dbraw/zinc/55/49/46/1066554946.db2.gz PSGRNMNWJSDEOV-OAHLLOKOSA-N 0 0 457.566 4.876 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2[C@@H]2C[C@H]2C(C)C)cc1Br ZINC001361218839 1066555270 /nfs/dbraw/zinc/55/52/70/1066555270.db2.gz VNAXRLFZEOYAAT-PZJWPPBQSA-N 0 0 488.474 4.928 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCc2c(C)cccc2C)o1 ZINC001361219044 1066555694 /nfs/dbraw/zinc/55/56/94/1066555694.db2.gz ZLFITRTUOBWWGW-UHFFFAOYSA-N 0 0 461.532 4.780 20 0 JJADRN CCCCn1ncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)c1C ZINC001545973709 1066555909 /nfs/dbraw/zinc/55/59/09/1066555909.db2.gz FZDIGWNKZXUWAU-UHFFFAOYSA-N 0 0 452.580 4.983 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001445296403 1066555991 /nfs/dbraw/zinc/55/59/91/1066555991.db2.gz WEXIAMDQIFEYHJ-UHFFFAOYSA-N 0 0 451.752 4.891 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CCOCC1 ZINC001456289428 1066556143 /nfs/dbraw/zinc/55/61/43/1066556143.db2.gz VGOUMHRNVWUCBC-SXSDINLZSA-N 0 0 457.596 4.962 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001456290566 1066556175 /nfs/dbraw/zinc/55/61/75/1066556175.db2.gz HIBJLOYIKHFXGA-LJQANCHMSA-N 0 0 454.633 4.524 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCCC3)n2CCCO[C@@H]2CCOC2)cc1Br ZINC001361219175 1066556181 /nfs/dbraw/zinc/55/61/81/1066556181.db2.gz USCNTDVDZSJXCA-HXUWFJFHSA-N 0 0 477.447 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCC3)n2CCc2nccnc2C)cc1Br ZINC001361219433 1066556225 /nfs/dbraw/zinc/55/62/25/1066556225.db2.gz YLTBYWLTOSZPHT-UHFFFAOYSA-N 0 0 455.404 4.738 20 0 JJADRN O=C(CN(C(=O)c1ccccc1)c1ccccc1)NCCCc1cccc(Br)c1 ZINC001456294966 1066556750 /nfs/dbraw/zinc/55/67/50/1066556750.db2.gz FXNCCXSJDLOOAP-UHFFFAOYSA-N 0 0 451.364 4.845 20 0 JJADRN COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(-c3cccs3)s2)c1 ZINC001456294600 1066556769 /nfs/dbraw/zinc/55/67/69/1066556769.db2.gz TWDFEHXDPUVFKQ-QGZVFWFLSA-N 0 0 454.573 4.897 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)Nc3cccc(CS(=O)(=O)C(C)C)c3)cc2s1 ZINC001456293502 1066556936 /nfs/dbraw/zinc/55/69/36/1066556936.db2.gz PTHPAMMFJNNLDQ-UHFFFAOYSA-N 0 0 451.639 4.780 20 0 JJADRN CC[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)Oc1ccccc1Cl ZINC001445329091 1066557794 /nfs/dbraw/zinc/55/77/94/1066557794.db2.gz VKHBBYXFIDDUHT-IBGZPJMESA-N 0 0 458.967 4.728 20 0 JJADRN Cc1ccc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1N1CCOC1=O ZINC001445333093 1066558317 /nfs/dbraw/zinc/55/83/17/1066558317.db2.gz VNCJBNYEMJJIQV-KRWDZBQOSA-N 0 0 451.523 4.819 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC4(C3)CO[C@@H](C)C4)c2)cc1 ZINC001456302218 1066558542 /nfs/dbraw/zinc/55/85/42/1066558542.db2.gz KIUZGLUIXHMWOI-SIPIWMQHSA-N 0 0 456.608 4.517 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)s1 ZINC001445337961 1066558851 /nfs/dbraw/zinc/55/88/51/1066558851.db2.gz MDTCXOQSMILFCQ-GFCCVEGCSA-N 0 0 455.411 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2ccccc2F)o1 ZINC001361220969 1066558862 /nfs/dbraw/zinc/55/88/62/1066558862.db2.gz KBVMPGDCONEESK-UHFFFAOYSA-N 0 0 469.561 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCCOc2ccc(F)cc2)o1 ZINC001361220858 1066559003 /nfs/dbraw/zinc/55/90/03/1066559003.db2.gz GTWWTWFADLCDIS-QGZVFWFLSA-N 0 0 481.494 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C2CC2)cc1Br ZINC001361221013 1066559017 /nfs/dbraw/zinc/55/90/17/1066559017.db2.gz LMOMYJDNTIFYBG-HNNXBMFYSA-N 0 0 476.419 4.797 20 0 JJADRN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)s1 ZINC001445337974 1066558976 /nfs/dbraw/zinc/55/89/76/1066558976.db2.gz MDTCXOQSMILFCQ-LBPRGKRZSA-N 0 0 455.411 4.908 20 0 JJADRN C[C@@H](CNC(=O)c1ccoc1COc1ccc(C=O)cc1)Oc1ccccc1Br ZINC001445338861 1066559460 /nfs/dbraw/zinc/55/94/60/1066559460.db2.gz OUCAAAMLXBZSCA-HNNXBMFYSA-N 0 0 458.308 4.631 20 0 JJADRN CCN(C(=O)c1ncc(Br)cc1Br)[C@@H](C)Cc1ccc(OC)cc1 ZINC001456305076 1066559764 /nfs/dbraw/zinc/55/97/64/1066559764.db2.gz VJAZPQIWRJGFNM-LBPRGKRZSA-N 0 0 456.178 4.709 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)n1 ZINC001445343980 1066560160 /nfs/dbraw/zinc/56/01/60/1066560160.db2.gz GVFLQQKKXUFUGK-UHFFFAOYSA-N 0 0 451.526 4.873 20 0 JJADRN COc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1OCc1cscn1 ZINC001545974028 1066560632 /nfs/dbraw/zinc/56/06/32/1066560632.db2.gz NBIDPLSOBAAGOQ-NHCUHLMSSA-N 0 0 456.539 4.598 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001545974043 1066560661 /nfs/dbraw/zinc/56/06/61/1066560661.db2.gz NLIAUOOQRBSHHG-DRLORSAXSA-N 0 0 456.558 4.680 20 0 JJADRN CCc1cc(OCC(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)ccc1Cl ZINC001456310919 1066560840 /nfs/dbraw/zinc/56/08/40/1066560840.db2.gz JOCGRUBJRYUJCJ-UHFFFAOYSA-N 0 0 455.942 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ncccc4F)CC3)n2CCC(C)C)cc1Br ZINC001361222575 1066560946 /nfs/dbraw/zinc/56/09/46/1066560946.db2.gz IRVKEVGCLRZITR-UHFFFAOYSA-N 0 0 487.421 4.923 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445349150 1066561039 /nfs/dbraw/zinc/56/10/39/1066561039.db2.gz OEYXZCBDSCOABV-QGZVFWFLSA-N 0 0 455.782 4.738 20 0 JJADRN C=CC(=O)Nc1cc(NC(=O)c2cc(C)c(Cl)cc2I)ccc1F ZINC001445350450 1066561125 /nfs/dbraw/zinc/56/11/25/1066561125.db2.gz XSCUUGHWPOKGQK-UHFFFAOYSA-N 0 0 458.658 4.769 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCCCc3ccc(Cl)cc3)CC2)cc1 ZINC001456314596 1066561195 /nfs/dbraw/zinc/56/11/95/1066561195.db2.gz AAUYDKFDQGUORH-FQEVSTJZSA-N 0 0 457.014 4.754 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545974188 1066561584 /nfs/dbraw/zinc/56/15/84/1066561584.db2.gz QWSPMVCBLZOEFC-UYAOXDASSA-N 0 0 450.348 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C)Oc2ccccc2F)o1 ZINC001361223927 1066562011 /nfs/dbraw/zinc/56/20/11/1066562011.db2.gz DGSNLHZPJAIJHH-NVXWUHKLSA-N 0 0 481.494 4.526 20 0 JJADRN CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](COC)Cc1ccccc1 ZINC001445358437 1066562049 /nfs/dbraw/zinc/56/20/49/1066562049.db2.gz KPUSJYKJNUXDIO-TZIWHRDSSA-N 0 0 455.599 4.520 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2cc(I)c(Cl)cc2Cl)cc1 ZINC001456320176 1066562304 /nfs/dbraw/zinc/56/23/04/1066562304.db2.gz OMDOSXBZRVKDBF-NRFANRHFSA-N 0 0 454.116 4.588 20 0 JJADRN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363888 1066562513 /nfs/dbraw/zinc/56/25/13/1066562513.db2.gz HJWQLISCYSWOMX-JPYJTQIMSA-N 0 0 450.608 4.975 20 0 JJADRN CCC(CC)(C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)c1ccc(Cl)cc1 ZINC001456324031 1066562746 /nfs/dbraw/zinc/56/27/46/1066562746.db2.gz UKHWFVGKKWPDOA-HXUWFJFHSA-N 0 0 457.014 4.845 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCCc1cccc(Br)c1 ZINC001456323693 1066562817 /nfs/dbraw/zinc/56/28/17/1066562817.db2.gz VIZYTFPXXSISGS-UHFFFAOYSA-N 0 0 458.352 4.554 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C2)C1 ZINC001445363989 1066562816 /nfs/dbraw/zinc/56/28/16/1066562816.db2.gz JBISAKPUGBVJKF-QNBXZPKWSA-N 0 0 450.567 4.793 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1)CC(F)(F)F ZINC001445369016 1066563143 /nfs/dbraw/zinc/56/31/43/1066563143.db2.gz HYXQBLAERMDTNE-HNNXBMFYSA-N 0 0 450.929 4.730 20 0 JJADRN C[C@H]1CCN(C(=O)[C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445366059 1066563207 /nfs/dbraw/zinc/56/32/07/1066563207.db2.gz KLVGMDKRBIJOCA-UUOWRZLLSA-N 0 0 450.579 4.577 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(C3CCOCC3)cc2)CC1 ZINC001456328194 1066563307 /nfs/dbraw/zinc/56/33/07/1066563307.db2.gz HQBDSXZRNXOGIA-GOSISDBHSA-N 0 0 457.412 4.862 20 0 JJADRN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc2scc(Br)c2c1 ZINC001445370286 1066563388 /nfs/dbraw/zinc/56/33/88/1066563388.db2.gz JQPAKTKVIOMHGM-LJQANCHMSA-N 0 0 457.393 4.627 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC2CC2)cc1Br ZINC001361224584 1066563490 /nfs/dbraw/zinc/56/34/90/1066563490.db2.gz YSLVPLPJKJQHIF-QGZVFWFLSA-N 0 0 474.447 4.509 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(OCCOC)cc2Cl)CC1 ZINC001456330206 1066563892 /nfs/dbraw/zinc/56/38/92/1066563892.db2.gz LFGVDKCTUZVUDV-JOCHJYFZSA-N 0 0 452.929 4.553 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001361224669 1066563935 /nfs/dbraw/zinc/56/39/35/1066563935.db2.gz BZEOZKRHOVEXNJ-SFHVURJKSA-N 0 0 457.412 4.767 20 0 JJADRN O=CNc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC001456332727 1066564487 /nfs/dbraw/zinc/56/44/87/1066564487.db2.gz IMTHSQQOLPWFRU-UHFFFAOYSA-N 0 0 457.437 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCC(C)(C)C)cc1Br ZINC001361226307 1066564968 /nfs/dbraw/zinc/56/49/68/1066564968.db2.gz WYTNWNKSNCOPNO-GOSISDBHSA-N 0 0 474.447 4.653 20 0 JJADRN COc1ccccc1/C=C(\C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1 ZINC001445379004 1066564991 /nfs/dbraw/zinc/56/49/91/1066564991.db2.gz ZJYOIKZCQHVYTF-ZXWAVCEFSA-N 0 0 454.570 4.586 20 0 JJADRN Cc1sc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)nc1-c1ccc2c(c1)CCC2 ZINC001361226660 1066565072 /nfs/dbraw/zinc/56/50/72/1066565072.db2.gz RZOLCMSTUNWUPC-AWEZNQCLSA-N 0 0 458.580 4.795 20 0 JJADRN C[C@H](CCC1CCCCC1)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001456338653 1066565419 /nfs/dbraw/zinc/56/54/19/1066565419.db2.gz QWEONYDNIRNQAE-GOSISDBHSA-N 0 0 453.612 4.939 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1 ZINC001445387441 1066565422 /nfs/dbraw/zinc/56/54/22/1066565422.db2.gz BCMPKWDEZYYDRJ-LBPRGKRZSA-N 0 0 453.948 4.536 20 0 JJADRN CC[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545974628 1066565545 /nfs/dbraw/zinc/56/55/45/1066565545.db2.gz BXCYRJPOQLXRJN-INIZCTEOSA-N 0 0 474.556 4.586 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC(=O)Nc2c(C)cccc2C)o1 ZINC001361226977 1066565585 /nfs/dbraw/zinc/56/55/85/1066565585.db2.gz DGPWSJYLLWLUFL-SANMLTNESA-N 0 0 465.598 4.743 20 0 JJADRN CCc1cc(NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)nc(C)n1 ZINC001456342220 1066565968 /nfs/dbraw/zinc/56/59/68/1066565968.db2.gz QNWXOGJHCCTICH-UHFFFAOYSA-N 0 0 456.340 4.950 20 0 JJADRN CCCc1c(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)cnn1-c1ccc(C)cc1 ZINC001445389425 1066566158 /nfs/dbraw/zinc/56/61/58/1066566158.db2.gz FTIRMURBSLSPJD-UHFFFAOYSA-N 0 0 454.958 4.554 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@]2(C)CCCO2)cc1Br ZINC001361227868 1066566420 /nfs/dbraw/zinc/56/64/20/1066566420.db2.gz XJZNMDSXVNLIKD-AUSIDOKSSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456342998 1066566437 /nfs/dbraw/zinc/56/64/37/1066566437.db2.gz XVFOCKFDPWNUEP-RDPSFJRHSA-N 0 0 454.636 4.742 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001456347626 1066566815 /nfs/dbraw/zinc/56/68/15/1066566815.db2.gz ZVVHSVJBUUFYGA-OAQYLSRUSA-N 0 0 455.480 4.617 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3C4CCCC3CCC4)c2)cc1 ZINC001456346159 1066566848 /nfs/dbraw/zinc/56/68/48/1066566848.db2.gz WJRJSIWAUVKJCW-UHFFFAOYSA-N 0 0 456.608 4.766 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1 ZINC001361228127 1066567019 /nfs/dbraw/zinc/56/70/19/1066567019.db2.gz GGXHOPZLKPBDTR-UHFFFAOYSA-N 0 0 450.913 4.531 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)c1cccnc1 ZINC001361228273 1066567141 /nfs/dbraw/zinc/56/71/41/1066567141.db2.gz MZTMQPUUWUCQCN-UHFFFAOYSA-N 0 0 457.983 4.613 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC4(CCC4)C3)n2CCCOCC(C)C)cc1Br ZINC001361228517 1066567165 /nfs/dbraw/zinc/56/71/65/1066567165.db2.gz ARWPCMJBLYBICT-UHFFFAOYSA-N 0 0 477.447 4.838 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)Oc1cccc(C(F)(F)F)c1 ZINC001445399355 1066567164 /nfs/dbraw/zinc/56/71/64/1066567164.db2.gz XHMUCAYGYGARNO-UTKZUKDTSA-N 0 0 458.484 4.591 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001456349881 1066567236 /nfs/dbraw/zinc/56/72/36/1066567236.db2.gz HLLIXCWCCJKAED-JOCHJYFZSA-N 0 0 451.425 4.848 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1cc(I)c(F)cc1F ZINC001361228623 1066567440 /nfs/dbraw/zinc/56/74/40/1066567440.db2.gz YEZFJZGEOALZGQ-UHFFFAOYSA-N 0 0 456.255 4.623 20 0 JJADRN CNC(=O)[C@H](C)CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC)cc1 ZINC001445401390 1066567585 /nfs/dbraw/zinc/56/75/85/1066567585.db2.gz GPNFGUUYJTTXPR-RILMWAFASA-N 0 0 457.574 4.574 20 0 JJADRN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001456351871 1066567822 /nfs/dbraw/zinc/56/78/22/1066567822.db2.gz AOXXENNHDURVCD-RXVVDRJESA-N 0 0 450.535 4.618 20 0 JJADRN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC001456351857 1066567837 /nfs/dbraw/zinc/56/78/37/1066567837.db2.gz AOXXENNHDURVCD-GHTZIAJQSA-N 0 0 450.535 4.618 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4Br)C3)n2C[C@](C)(O)C(C)C)o1 ZINC001361228911 1066568070 /nfs/dbraw/zinc/56/80/70/1066568070.db2.gz IPECJNRBOLEOSD-REWPJTCUSA-N 0 0 489.414 4.594 20 0 JJADRN COC(=O)C[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1 ZINC001445408140 1066568266 /nfs/dbraw/zinc/56/82/66/1066568266.db2.gz YRKBWBLLCOUGLH-FUHWJXTLSA-N 0 0 455.725 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCSc2ncccc21)c1ccccc1C(F)(F)F ZINC001456354002 1066568350 /nfs/dbraw/zinc/56/83/50/1066568350.db2.gz UCGRUZISLNCFQD-INIZCTEOSA-N 0 0 453.486 4.805 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)OC1CCCCC1 ZINC001445407945 1066568320 /nfs/dbraw/zinc/56/83/20/1066568320.db2.gz VMTSZXJZPRXYHG-UHFFFAOYSA-N 0 0 450.304 4.986 20 0 JJADRN COC(=O)C[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1 ZINC001445408145 1066568413 /nfs/dbraw/zinc/56/84/13/1066568413.db2.gz YRKBWBLLCOUGLH-WMZOPIPTSA-N 0 0 455.725 4.560 20 0 JJADRN CC(C)CCn1cc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC001456354422 1066568491 /nfs/dbraw/zinc/56/84/91/1066568491.db2.gz VLPMYKFHHMGEEO-UHFFFAOYSA-N 0 0 459.566 4.510 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361229480 1066568642 /nfs/dbraw/zinc/56/86/42/1066568642.db2.gz QYUJJNPOHGXBJX-XXBNENTESA-N 0 0 495.624 4.988 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(N2CCCC2=O)c1 ZINC001456357377 1066568985 /nfs/dbraw/zinc/56/89/85/1066568985.db2.gz GKXSFHNSSUEPCN-UHFFFAOYSA-N 0 0 455.436 4.950 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC001445419350 1066569350 /nfs/dbraw/zinc/56/93/50/1066569350.db2.gz GRJDQVFQYZLKPS-CQSZACIVSA-N 0 0 454.832 4.526 20 0 JJADRN CN(C(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 ZINC001361230143 1066569540 /nfs/dbraw/zinc/56/95/40/1066569540.db2.gz NPTUJGZFLQNGJB-UHFFFAOYSA-N 0 0 455.407 4.585 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1-c1cccc(Br)c1 ZINC001445428550 1066569811 /nfs/dbraw/zinc/56/98/11/1066569811.db2.gz PDMHCCCPGDZNBS-GZWGPKMKSA-N 0 0 475.387 4.780 20 0 JJADRN Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2COCC[Si](C)(C)C)cc(NC2CC2)n1 ZINC001456360631 1066570245 /nfs/dbraw/zinc/57/02/45/1066570245.db2.gz PFBOXNMAXBVAKK-NRFANRHFSA-N 0 0 455.679 4.696 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)CN3CCc4ccccc4C3=O)cc2C)c1 ZINC001456360216 1066570284 /nfs/dbraw/zinc/57/02/84/1066570284.db2.gz UKWFEOQACROYED-UHFFFAOYSA-N 0 0 456.586 4.848 20 0 JJADRN 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ZINC001456398213 1066578536 /nfs/dbraw/zinc/57/85/36/1066578536.db2.gz UMSYAICGUOAFPL-CYBMUJFWSA-N 0 0 453.341 4.588 20 0 JJADRN COC(=O)C1([C@@]2(O)CCCN(C(=O)/C=C\c3cccc(-c4ccc(Cl)cc4)c3)C2)CCC1 ZINC001456402848 1066579093 /nfs/dbraw/zinc/57/90/93/1066579093.db2.gz ZWJWYJZCRKYCTH-NKJWAHQSSA-N 0 0 453.966 4.717 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361238379 1066579191 /nfs/dbraw/zinc/57/91/91/1066579191.db2.gz WASSUXCLDFXKIV-SMIHKQSGSA-N 0 0 483.657 4.899 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 ZINC001361238340 1066579290 /nfs/dbraw/zinc/57/92/90/1066579290.db2.gz VIVKQINAWFPOIY-REWPJTCUSA-N 0 0 497.043 4.577 20 0 JJADRN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc(OC2CCCCC2)cc1 ZINC001456404129 1066579391 /nfs/dbraw/zinc/57/93/91/1066579391.db2.gz WLMHEUISDOOTIR-UHFFFAOYSA-N 0 0 459.340 4.525 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1OC ZINC001445515382 1066579810 /nfs/dbraw/zinc/57/98/10/1066579810.db2.gz OWRBFRHFAPCQIF-QFBILLFUSA-N 0 0 454.542 4.532 20 0 JJADRN Cc1nc(Cl)ccc1CC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001456407315 1066579922 /nfs/dbraw/zinc/57/99/22/1066579922.db2.gz BIAUVDNQNPPJGN-UHFFFAOYSA-N 0 0 453.945 4.653 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)nnc2-c2ccco2)cc1 ZINC001456409763 1066580305 /nfs/dbraw/zinc/58/03/05/1066580305.db2.gz HJPNZOGQPTUUOH-ABSDTBQOSA-N 0 0 454.596 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)CC1CCCCC1 ZINC001445518349 1066580377 /nfs/dbraw/zinc/58/03/77/1066580377.db2.gz ZYDPXMLWPXLWEG-PMACEKPBSA-N 0 0 452.636 4.963 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1NC(=O)C1CCCCC1 ZINC001456410540 1066580702 /nfs/dbraw/zinc/58/07/02/1066580702.db2.gz LNFXECLMGZISJJ-FQEVSTJZSA-N 0 0 459.587 4.798 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC001456414882 1066581223 /nfs/dbraw/zinc/58/12/23/1066581223.db2.gz ROIQSKGDAJZVSO-HKBQPEDESA-N 0 0 452.967 4.902 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456415904 1066581345 /nfs/dbraw/zinc/58/13/45/1066581345.db2.gz XKEOYBABWCZWQV-VXGBXAGGSA-N 0 0 450.280 4.796 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001456414886 1066581383 /nfs/dbraw/zinc/58/13/83/1066581383.db2.gz RVBSTFNMTYRBCN-PCCBWWKXSA-N 0 0 456.608 4.719 20 0 JJADRN Cc1cc(S(N)(=O)=O)cc(C(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1C ZINC001445524446 1066581423 /nfs/dbraw/zinc/58/14/23/1066581423.db2.gz OKLDSEWEMZMWMR-HSZRJFAPSA-N 0 0 454.979 4.544 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cscn2)c(C)c1 ZINC001361239969 1066581737 /nfs/dbraw/zinc/58/17/37/1066581737.db2.gz LZKMUFALNJFJRC-UHFFFAOYSA-N 0 0 485.455 4.999 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)C2=O)cc1 ZINC001361239792 1066581794 /nfs/dbraw/zinc/58/17/94/1066581794.db2.gz DAKIGLICKLFKQR-GOSISDBHSA-N 0 0 458.484 4.870 20 0 JJADRN Cc1cc(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc(S(N)(=O)=O)c1C ZINC001445525410 1066582115 /nfs/dbraw/zinc/58/21/15/1066582115.db2.gz KNAJEKGSJBINHJ-UHFFFAOYSA-N 0 0 453.391 4.577 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(N(C)CC3COC(C)(C)OC3)nnc2C(C)(C)C)cc1 ZINC001361240584 1066582251 /nfs/dbraw/zinc/58/22/51/1066582251.db2.gz UQCHTEBDXURKMP-GOTSBHOMSA-N 0 0 470.658 4.887 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1C ZINC001545976264 1066582437 /nfs/dbraw/zinc/58/24/37/1066582437.db2.gz JGOZCLOUFQXKSJ-OAQYLSRUSA-N 0 0 451.567 4.984 20 0 JJADRN Cc1cc(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1O ZINC001456425699 1066582502 /nfs/dbraw/zinc/58/25/02/1066582502.db2.gz TURKVTNPRBGZPG-UHFFFAOYSA-N 0 0 452.551 4.505 20 0 JJADRN Cc1nc(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)s1 ZINC001456424701 1066582580 /nfs/dbraw/zinc/58/25/80/1066582580.db2.gz RFAZXMZBOOGLMM-UHFFFAOYSA-N 0 0 457.596 4.564 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456426330 1066582605 /nfs/dbraw/zinc/58/26/05/1066582605.db2.gz FBLJUCSXGOIJBC-GHRAFVERSA-N 0 0 452.620 4.759 20 0 JJADRN COc1cccc(C=C(CC(=O)NCc2[nH]cc(C)c(=O)c2C)c2nc3ccccc3s2)c1 ZINC001456427608 1066582935 /nfs/dbraw/zinc/58/29/35/1066582935.db2.gz ZBJSLHREUYPEQA-YBFXNURJSA-N 0 0 459.571 4.857 20 0 JJADRN COc1ccc([C@@H](NC(=O)C(F)(F)c2ccc(OC)cc2)c2ccc(OC)cc2OC)cc1 ZINC001456429862 1066583057 /nfs/dbraw/zinc/58/30/57/1066583057.db2.gz JROLIDLKGCPXMZ-HSZRJFAPSA-N 0 0 457.473 4.719 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(C)c1Br ZINC001456432245 1066583385 /nfs/dbraw/zinc/58/33/85/1066583385.db2.gz JNDKWFXITKTESO-CQSZACIVSA-N 0 0 457.290 4.973 20 0 JJADRN O=C(NCCCNC(=O)c1cccc(F)c1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456432190 1066583539 /nfs/dbraw/zinc/58/35/39/1066583539.db2.gz NYODXAUQCCRGML-UHFFFAOYSA-N 0 0 452.338 4.806 20 0 JJADRN Cc1ccc(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)CCNC(=O)C(C)C)cc1 ZINC001361241887 1066583568 /nfs/dbraw/zinc/58/35/68/1066583568.db2.gz SBDWWFBVTZZELJ-HXUWFJFHSA-N 0 0 479.694 4.891 20 0 JJADRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC001445531851 1066583645 /nfs/dbraw/zinc/58/36/45/1066583645.db2.gz IXTHNPZRYVCLMI-LIRRHRJNSA-N 0 0 456.327 4.713 20 0 JJADRN Cc1ccc(CCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c(C)c1 ZINC001361241910 1066583702 /nfs/dbraw/zinc/58/37/02/1066583702.db2.gz UDYIEBGOQSRJFM-HSZRJFAPSA-N 0 0 450.549 4.935 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(-n3ccc(C)n3)cc2)c2ccc(OC)cc2OC)cc1 ZINC001456432498 1066583903 /nfs/dbraw/zinc/58/39/03/1066583903.db2.gz PXMKKKDGALWZNE-SANMLTNESA-N 0 0 457.530 4.726 20 0 JJADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001361242279 1066584055 /nfs/dbraw/zinc/58/40/55/1066584055.db2.gz GTHGAFOTRHSUHB-UHFFFAOYSA-N 0 0 454.530 4.892 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)cc1 ZINC001361242637 1066584121 /nfs/dbraw/zinc/58/41/21/1066584121.db2.gz CIIMFSMXZUOUNS-FQEVSTJZSA-N 0 0 452.603 4.502 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361242613 1066584247 /nfs/dbraw/zinc/58/42/47/1066584247.db2.gz BQAFABRYDDUFKX-XMMPIXPASA-N 0 0 497.684 4.773 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)c1 ZINC001445535087 1066584257 /nfs/dbraw/zinc/58/42/57/1066584257.db2.gz YEHXKBTXSCJGOT-FQEVSTJZSA-N 0 0 453.564 4.519 20 0 JJADRN COc1cccc(OC)c1CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445533622 1066584415 /nfs/dbraw/zinc/58/44/15/1066584415.db2.gz LRPXJUDMFOUCBD-UHFFFAOYSA-N 0 0 450.720 4.691 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)c(C)c1 ZINC001361242988 1066584716 /nfs/dbraw/zinc/58/47/16/1066584716.db2.gz GVBCTMSLKTZUCB-UHFFFAOYSA-N 0 0 451.659 4.708 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001456435577 1066584879 /nfs/dbraw/zinc/58/48/79/1066584879.db2.gz XFMWDJUXZIXKJY-WZUFQYTHSA-N 0 0 455.392 4.876 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC001456434414 1066584968 /nfs/dbraw/zinc/58/49/68/1066584968.db2.gz WQJZJYLVGBDACP-UHFFFAOYSA-N 0 0 458.436 4.847 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccccn2)cc1 ZINC001361243456 1066585115 /nfs/dbraw/zinc/58/51/15/1066585115.db2.gz NJGGFICXXPLTRT-UHFFFAOYSA-N 0 0 490.652 4.975 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001361243575 1066585224 /nfs/dbraw/zinc/58/52/24/1066585224.db2.gz OSCGYOVIHVFTBR-PMACEKPBSA-N 0 0 452.521 4.619 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC(C)(C)[C@H]2C)cc1 ZINC001361243492 1066585266 /nfs/dbraw/zinc/58/52/66/1066585266.db2.gz NLBNRJQCZPQSPU-OAQYLSRUSA-N 0 0 497.684 4.947 20 0 JJADRN O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1cccc(-n2cc[nH]c2=O)c1 ZINC001445540842 1066585276 /nfs/dbraw/zinc/58/52/76/1066585276.db2.gz WMAUTFQDXUYPBV-UHFFFAOYSA-N 0 0 458.703 4.636 20 0 JJADRN CC(C)(C)OC(=O)NCCC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456435774 1066585316 /nfs/dbraw/zinc/58/53/16/1066585316.db2.gz ZVFVEMLGHHXCEF-UHFFFAOYSA-N 0 0 456.518 4.664 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001361243601 1066585551 /nfs/dbraw/zinc/58/55/51/1066585551.db2.gz PFLWAFNNOWYRLR-OYRHEFFESA-N 0 0 483.657 4.557 20 0 JJADRN Cc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)c1 ZINC001361243863 1066585727 /nfs/dbraw/zinc/58/57/27/1066585727.db2.gz WGAWSOZIVXLXBU-QHCPKHFHSA-N 0 0 488.680 4.501 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1 ZINC001445542039 1066585694 /nfs/dbraw/zinc/58/56/94/1066585694.db2.gz VOKGICCXIFUVHA-HSZRJFAPSA-N 0 0 455.599 4.939 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001445542178 1066585742 /nfs/dbraw/zinc/58/57/42/1066585742.db2.gz WIBVJAPBFCPPDK-QYXIYQDXSA-N 0 0 454.586 4.910 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243886 1066585744 /nfs/dbraw/zinc/58/57/44/1066585744.db2.gz WXORKKGFAXEEAT-GOTSBHOMSA-N 0 0 483.657 4.812 20 0 JJADRN CCCCc1nc2cc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@H]3C[C@H]3C)ccc2[nH]1 ZINC001445541491 1066585847 /nfs/dbraw/zinc/58/58/47/1066585847.db2.gz OUMWWYJFCBRLIZ-GDBMZVCRSA-N 0 0 450.539 4.770 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001456438500 1066585911 /nfs/dbraw/zinc/58/59/11/1066585911.db2.gz BUUVXDDMYYUAGL-UHFFFAOYSA-N 0 0 452.960 4.792 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cccc(C[S@@](=O)c4ccccc4)c3)CCC2=O)c1 ZINC001456437120 1066585973 /nfs/dbraw/zinc/58/59/73/1066585973.db2.gz CWJAXSZZQJONRQ-MGBGTMOVSA-N 0 0 459.571 4.733 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@@H](C)C2)c(C)c1 ZINC001361243923 1066586150 /nfs/dbraw/zinc/58/61/50/1066586150.db2.gz YAPCIRKFNMBERK-FUDKSRODSA-N 0 0 483.657 4.538 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1c[nH]c2ccccc21 ZINC001456439169 1066586397 /nfs/dbraw/zinc/58/63/97/1066586397.db2.gz QXXLZMNDSVAYJB-RTBURBONSA-N 0 0 455.599 4.679 20 0 JJADRN C[C@H]1CN(C(=O)c2cc3ccccc3nc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456439176 1066586490 /nfs/dbraw/zinc/58/64/90/1066586490.db2.gz RADPIOJPTZESFB-INIZCTEOSA-N 0 0 459.974 4.519 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2Cl)c(OC)c1 ZINC001361244830 1066586610 /nfs/dbraw/zinc/58/66/10/1066586610.db2.gz WGJJKLNEFBDHHW-VWLOTQADSA-N 0 0 455.938 4.823 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001361244478 1066586616 /nfs/dbraw/zinc/58/66/16/1066586616.db2.gz MHAYCHYIAKNYJA-QGZVFWFLSA-N 0 0 459.331 4.570 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)nc1-c1ccc(Cl)cc1 ZINC001445552845 1066586783 /nfs/dbraw/zinc/58/67/83/1066586783.db2.gz RYAPYQFKAHRRBQ-FOIQADDNSA-N 0 0 453.995 4.998 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H](O)c3cc4ccccc4s3)s2)cc1 ZINC001445547282 1066586793 /nfs/dbraw/zinc/58/67/93/1066586793.db2.gz RCGNEGXVOQYLLZ-KRWDZBQOSA-N 0 0 452.557 4.687 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001456439757 1066586831 /nfs/dbraw/zinc/58/68/31/1066586831.db2.gz IROJXLORPYPUEQ-AWEZNQCLSA-N 0 0 452.330 4.905 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccsc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)c(C)c1 ZINC001361245253 1066587125 /nfs/dbraw/zinc/58/71/25/1066587125.db2.gz IQVGLRAVCVRTFZ-QHCPKHFHSA-N 0 0 465.667 4.531 20 0 JJADRN O=C(CSc1nccc2ccccc21)Nc1nccn1Cc1ccc(Br)cc1 ZINC001445560391 1066587330 /nfs/dbraw/zinc/58/73/30/1066587330.db2.gz KOFUTRGJBVGVHD-UHFFFAOYSA-N 0 0 453.365 4.973 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)nc1-c1ccc(Cl)cc1 ZINC001445552852 1066587436 /nfs/dbraw/zinc/58/74/36/1066587436.db2.gz RYAPYQFKAHRRBQ-QRWLVFNGSA-N 0 0 453.995 4.998 20 0 JJADRN Cc1ccc(F)c(-n2nc(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)c3c2CCC3)c1 ZINC001361245622 1066587550 /nfs/dbraw/zinc/58/75/50/1066587550.db2.gz DQGGYGWADAFDNN-WJOKGBTCSA-N 0 0 451.445 4.688 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361245791 1066587566 /nfs/dbraw/zinc/58/75/66/1066587566.db2.gz GKCFGZPOSSKQSH-RUZDIDTESA-N 0 0 456.667 4.991 20 0 JJADRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001445562834 1066587656 /nfs/dbraw/zinc/58/76/56/1066587656.db2.gz YOMUQGMVHKNFCL-ZMZPIMSZSA-N 0 0 451.354 4.654 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361245829 1066587806 /nfs/dbraw/zinc/58/78/06/1066587806.db2.gz HEGRRYDBMCYXIO-NMEJYPJZSA-N 0 0 456.486 4.594 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCc2ccc(C)cc2C)cs1 ZINC001361246077 1066587818 /nfs/dbraw/zinc/58/78/18/1066587818.db2.gz XXQGKBOTCUUONX-UHFFFAOYSA-N 0 0 470.046 4.517 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)O[C@H](C)C2 ZINC001361245962 1066587848 /nfs/dbraw/zinc/58/78/48/1066587848.db2.gz JEYUUJVSTFYSCT-ZOFGUWLLSA-N 0 0 453.482 4.778 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)Nc2nccn2Cc2ccc(Br)cc2)c1 ZINC001445561890 1066587812 /nfs/dbraw/zinc/58/78/12/1066587812.db2.gz SFMKYBPNOKVAJP-UHFFFAOYSA-N 0 0 456.340 4.694 20 0 JJADRN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccccc1CSC1=NCCS1 ZINC001445564362 1066588405 /nfs/dbraw/zinc/58/84/05/1066588405.db2.gz LIVKXYKCRCJFJG-UHFFFAOYSA-N 0 0 453.564 4.624 20 0 JJADRN CCOc1cc(CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)ccc1OC ZINC001456446326 1066588550 /nfs/dbraw/zinc/58/85/50/1066588550.db2.gz LVDCAHWXUDGMBQ-UHFFFAOYSA-N 0 0 450.226 4.944 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456446253 1066588610 /nfs/dbraw/zinc/58/86/10/1066588610.db2.gz WRRDCHSXWJQOLE-MRXNPFEDSA-N 0 0 459.974 4.519 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc(Br)nc1 ZINC001445567226 1066589123 /nfs/dbraw/zinc/58/91/23/1066589123.db2.gz RXKGOTMEFLRIDL-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)s1 ZINC001361247229 1066589409 /nfs/dbraw/zinc/58/94/09/1066589409.db2.gz VAVXDTMEHAUNIZ-TZIWHRDSSA-N 0 0 467.639 4.705 20 0 JJADRN Cc1ccc(CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)c(OC[C@@H]2CCOC2)c1 ZINC001445575983 1066589605 /nfs/dbraw/zinc/58/96/05/1066589605.db2.gz ZGUMKVQDZNVFBA-OAHLLOKOSA-N 0 0 459.518 4.819 20 0 JJADRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(Cl)cc(Br)c1F ZINC001456450210 1066589904 /nfs/dbraw/zinc/58/99/04/1066589904.db2.gz SSSBRPFDTIEBEY-UHFFFAOYSA-N 0 0 459.102 4.918 20 0 JJADRN Cc1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)nn1-c1ccccc1Br ZINC001361247511 1066589986 /nfs/dbraw/zinc/58/99/86/1066589986.db2.gz FTEICTOYFKQVRE-UHFFFAOYSA-N 0 0 458.331 4.518 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)s1 ZINC001361247804 1066590333 /nfs/dbraw/zinc/59/03/33/1066590333.db2.gz BGAXWZLFUKQKOV-PKOBYXMFSA-N 0 0 490.073 4.799 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc3ccsc32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247735 1066590378 /nfs/dbraw/zinc/59/03/78/1066590378.db2.gz MCIDODGEMQPHIY-QFIPXVFZSA-N 0 0 451.569 4.833 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1C(F)F ZINC001361247567 1066590446 /nfs/dbraw/zinc/59/04/46/1066590446.db2.gz IDKRHJCFLCVEQF-UHFFFAOYSA-N 0 0 452.181 4.751 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c(Cl)c1 ZINC001445583462 1066590561 /nfs/dbraw/zinc/59/05/61/1066590561.db2.gz YTILQTLUIVHAHO-GOSISDBHSA-N 0 0 458.942 4.801 20 0 JJADRN COc1ccc([C@H](NC(=O)c2c(Cl)nn(C)c2Cl)c2ccccc2Cl)c(OC)c1 ZINC001361248088 1066590899 /nfs/dbraw/zinc/59/08/99/1066590899.db2.gz QJDXUXKQXWMMJP-QGZVFWFLSA-N 0 0 454.741 4.917 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001456452114 1066590987 /nfs/dbraw/zinc/59/09/87/1066590987.db2.gz LWEAUYGMCBGQGC-AWEZNQCLSA-N 0 0 454.873 4.538 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCCCC[C@H]3CC(=O)c3ccco3)n2)cc1 ZINC001445585041 1066591238 /nfs/dbraw/zinc/59/12/38/1066591238.db2.gz IJLQLLIVLBXZMM-IBGZPJMESA-N 0 0 451.523 4.705 20 0 JJADRN CC(C)(C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1cccnc1 ZINC001456452587 1066591359 /nfs/dbraw/zinc/59/13/59/1066591359.db2.gz QIYAOCOLSGPEOA-UHFFFAOYSA-N 0 0 452.352 4.690 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001456454054 1066591465 /nfs/dbraw/zinc/59/14/65/1066591465.db2.gz HXXOMIQUQRYGFN-LJQANCHMSA-N 0 0 455.555 4.788 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(F)c(I)c1)c1ccco1 ZINC001445586207 1066591814 /nfs/dbraw/zinc/59/18/14/1066591814.db2.gz LOBGRWLVFAMJHU-CQSZACIVSA-N 0 0 455.267 4.681 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)s1 ZINC001361248290 1066591911 /nfs/dbraw/zinc/59/19/11/1066591911.db2.gz JLLGDDYHOIWFKX-GOSISDBHSA-N 0 0 468.602 4.930 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3(OC(C)C)CCCCC3)c2)c1 ZINC001445588774 1066592105 /nfs/dbraw/zinc/59/21/05/1066592105.db2.gz CPHHVYRMTCQLHB-UHFFFAOYSA-N 0 0 458.624 4.962 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361249028 1066592706 /nfs/dbraw/zinc/59/27/06/1066592706.db2.gz YBUJJASCWZIAGY-HSZRJFAPSA-N 0 0 494.514 4.803 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCc2cnn(C)n2)o1 ZINC001361248936 1066592747 /nfs/dbraw/zinc/59/27/47/1066592747.db2.gz WITYUXVGEJNERD-IBGZPJMESA-N 0 0 498.031 4.987 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)s1 ZINC001361248853 1066592823 /nfs/dbraw/zinc/59/28/23/1066592823.db2.gz UILDDTOUKVQJSS-DEOSSOPVSA-N 0 0 473.643 4.659 20 0 JJADRN CCCCCCn1nc(C(=O)NCc2ccc(Br)cc2C)c2ccccc2c1=O ZINC001456466135 1066592874 /nfs/dbraw/zinc/59/28/74/1066592874.db2.gz RIHWAWUXAODVBC-UHFFFAOYSA-N 0 0 456.384 4.978 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CCO1 ZINC001546082668 1066592890 /nfs/dbraw/zinc/59/28/90/1066592890.db2.gz AXLSYOIJOSRRAQ-DFBJGRDBSA-N 0 0 460.594 4.769 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F ZINC001361249193 1066593108 /nfs/dbraw/zinc/59/31/08/1066593108.db2.gz DNDNLNSEMFXOJG-JOCHJYFZSA-N 0 0 453.468 4.923 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCCOC[C@@H]2CCCO2)o1 ZINC001361249673 1066593128 /nfs/dbraw/zinc/59/31/28/1066593128.db2.gz AMIPMWDLAJBVLK-NRFANRHFSA-N 0 0 489.414 4.831 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(F)(F)F ZINC001361249358 1066593157 /nfs/dbraw/zinc/59/31/57/1066593157.db2.gz LNWZQOKQSMSNQU-FPOVZHCZSA-N 0 0 457.452 4.525 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)c2cccs2)CCO1 ZINC001546082701 1066593328 /nfs/dbraw/zinc/59/33/28/1066593328.db2.gz BICJHCVTCPDYCG-VXKWHMMOSA-N 0 0 491.455 4.682 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001445591953 1066593245 /nfs/dbraw/zinc/59/32/45/1066593245.db2.gz IOUPUNWZQSPFGZ-UHFFFAOYSA-N 0 0 452.917 4.609 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2csc(Br)n2)CCC1 ZINC001456467908 1066593351 /nfs/dbraw/zinc/59/33/51/1066593351.db2.gz SPVLMQQCSQVFKZ-CQSZACIVSA-N 0 0 458.422 4.595 20 0 JJADRN CC1(C)CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001456473196 1066593620 /nfs/dbraw/zinc/59/36/20/1066593620.db2.gz GGLFXKKCIJJRKU-QFIPXVFZSA-N 0 0 456.030 4.740 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@H]2C)o1 ZINC001361249747 1066593685 /nfs/dbraw/zinc/59/36/85/1066593685.db2.gz DFOWPVXQWNHSJI-QAPCUYQASA-N 0 0 459.388 4.918 20 0 JJADRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC001456471312 1066593750 /nfs/dbraw/zinc/59/37/50/1066593750.db2.gz UULLERNSPFXSIJ-HYFFOGBASA-N 0 0 456.612 4.682 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1Br)c1ccc(F)cc1F ZINC001445599565 1066593676 /nfs/dbraw/zinc/59/36/76/1066593676.db2.gz HJATYBSGQOISCM-WOJBJXKFSA-N 0 0 451.311 4.658 20 0 JJADRN CC1(C)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC001456476480 1066594083 /nfs/dbraw/zinc/59/40/83/1066594083.db2.gz KXFOSOMPIBIYEC-XMMPIXPASA-N 0 0 450.604 4.551 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001456475913 1066594114 /nfs/dbraw/zinc/59/41/14/1066594114.db2.gz ILYKAAZAZPIDRS-JTSKRJEESA-N 0 0 453.583 4.817 20 0 JJADRN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccccc1Br ZINC001445601044 1066594116 /nfs/dbraw/zinc/59/41/16/1066594116.db2.gz OIDRCKRONWEJKU-QGZVFWFLSA-N 0 0 458.324 4.564 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2Cc2ccn(C)n2)o1 ZINC001361249784 1066594136 /nfs/dbraw/zinc/59/41/36/1066594136.db2.gz FRPQUCYIBYSOJX-UHFFFAOYSA-N 0 0 475.778 4.681 20 0 JJADRN CCCCCOc1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)cc1 ZINC001445602194 1066594144 /nfs/dbraw/zinc/59/41/44/1066594144.db2.gz WLMJPSRRDIBWSH-HSZRJFAPSA-N 0 0 458.986 4.581 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2nccn2C(F)F)s1 ZINC001361249773 1066594210 /nfs/dbraw/zinc/59/42/10/1066594210.db2.gz FACSBXPPBQPWLS-UHFFFAOYSA-N 0 0 496.385 4.692 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001456481895 1066594510 /nfs/dbraw/zinc/59/45/10/1066594510.db2.gz VONABHZRHXJVLC-PBHICJAKSA-N 0 0 455.530 4.935 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361249818 1066594581 /nfs/dbraw/zinc/59/45/81/1066594581.db2.gz GROPEMLKFRFDSP-UHFFFAOYSA-N 0 0 477.512 4.609 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)c1cccc(NCc2cncs2)c1 ZINC001456479941 1066594683 /nfs/dbraw/zinc/59/46/83/1066594683.db2.gz PKNILRUCLLUCOB-MHECFPHRSA-N 0 0 456.612 4.665 20 0 JJADRN C[C@@H](CC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1)C(=O)c1ccc(Cl)cc1 ZINC001445609056 1066594741 /nfs/dbraw/zinc/59/47/41/1066594741.db2.gz CIWQOCJGLDOHTR-JXFKEZNVSA-N 0 0 452.938 4.716 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCO[C@@H]2CCCC[C@H]2C)s1 ZINC001361249972 1066595016 /nfs/dbraw/zinc/59/50/16/1066595016.db2.gz MKGIXJQAFZTJSS-QNIAMRLHSA-N 0 0 476.687 4.920 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccccc1 ZINC001445614826 1066595405 /nfs/dbraw/zinc/59/54/05/1066595405.db2.gz VKXJXGRSSWMYHF-LOSJGSFVSA-N 0 0 457.574 4.696 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)OCc1ccccc1 ZINC001456483038 1066595359 /nfs/dbraw/zinc/59/53/59/1066595359.db2.gz AMSGHIMEBLABNP-FQEVSTJZSA-N 0 0 459.468 4.779 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC001445626535 1066595901 /nfs/dbraw/zinc/59/59/01/1066595901.db2.gz PMOSIGWTGYMXCJ-IRXDYDNUSA-N 0 0 454.571 4.925 20 0 JJADRN CO[C@H](C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)c1ccc(Br)s1 ZINC001456484019 1066595831 /nfs/dbraw/zinc/59/58/31/1066595831.db2.gz YKTAAJVJZYFQEF-XBMPDCEQSA-N 0 0 453.402 4.867 20 0 JJADRN O=C(C[C@H]1COCCN1C(=O)c1ccccc1NCCc1ccc(Cl)cc1)c1ccco1 ZINC001445624907 1066595944 /nfs/dbraw/zinc/59/59/44/1066595944.db2.gz NZUVOHATBKMWRV-FQEVSTJZSA-N 0 0 452.938 4.702 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC001445626541 1066595950 /nfs/dbraw/zinc/59/59/50/1066595950.db2.gz PMOSIGWTGYMXCJ-SJORKVTESA-N 0 0 454.571 4.925 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)o1 ZINC001361250086 1066596193 /nfs/dbraw/zinc/59/61/93/1066596193.db2.gz QDYIYDFJLHCQIT-UHFFFAOYSA-N 0 0 472.655 4.995 20 0 JJADRN Cc1c(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)nnn1-c1cccc(Cl)c1 ZINC001456486977 1066596826 /nfs/dbraw/zinc/59/68/26/1066596826.db2.gz DRFIPQXBUIGEMD-UHFFFAOYSA-N 0 0 452.971 4.570 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cc(Cl)cn2)o1 ZINC001361250313 1066596858 /nfs/dbraw/zinc/59/68/58/1066596858.db2.gz VMIRDMLWWATBPK-UHFFFAOYSA-N 0 0 462.888 4.634 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ncnn2C(C)(C)C)o1 ZINC001361250293 1066596872 /nfs/dbraw/zinc/59/68/72/1066596872.db2.gz VBQVPNKFFOSGJU-UHFFFAOYSA-N 0 0 484.402 4.640 20 0 JJADRN O=C(Cc1c[nH]c2cnc(Cl)cc12)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001445636374 1066596766 /nfs/dbraw/zinc/59/67/66/1066596766.db2.gz AFGMLVIAWGDEDP-UHFFFAOYSA-N 0 0 458.703 4.742 20 0 JJADRN CCCN(C(=O)Cc1ccc(F)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445636574 1066596952 /nfs/dbraw/zinc/59/69/52/1066596952.db2.gz BUCWPPTZPWNHHO-UHFFFAOYSA-N 0 0 457.384 4.769 20 0 JJADRN CCCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445637885 1066596981 /nfs/dbraw/zinc/59/69/81/1066596981.db2.gz IFGHHNVPSKIBKZ-UHFFFAOYSA-N 0 0 455.640 4.708 20 0 JJADRN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC001445649156 1066597786 /nfs/dbraw/zinc/59/77/86/1066597786.db2.gz NDWQHTBDCVJIIX-UHFFFAOYSA-N 0 0 456.258 4.909 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491138 1066597908 /nfs/dbraw/zinc/59/79/08/1066597908.db2.gz TVJTZWPOXNAMQA-KAMZKSLDSA-N 0 0 455.643 4.535 20 0 JJADRN CCSc1ccc(CC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001456492283 1066598455 /nfs/dbraw/zinc/59/84/55/1066598455.db2.gz NKCDBEWIHYNCDG-HNNXBMFYSA-N 0 0 457.434 4.619 20 0 JJADRN C[C@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456494553 1066598940 /nfs/dbraw/zinc/59/89/40/1066598940.db2.gz RDGSTXHGJYYOBC-IBGZPJMESA-N 0 0 452.514 4.799 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCCS2(=O)=O)o1 ZINC001361251411 1066599071 /nfs/dbraw/zinc/59/90/71/1066599071.db2.gz QXJVOZHAWDJHRZ-QGZVFWFLSA-N 0 0 483.421 4.757 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3C)n2CC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC001361251620 1066599351 /nfs/dbraw/zinc/59/93/51/1066599351.db2.gz ZEVNKOGRXJSTBG-UHFFFAOYSA-N 0 0 451.571 4.658 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCSc1ccccc1Br ZINC001456494724 1066599390 /nfs/dbraw/zinc/59/93/90/1066599390.db2.gz QCKVJBZCAYBHLD-HXUWFJFHSA-N 0 0 459.450 4.987 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccsc2Br)s1 ZINC001361252381 1066599861 /nfs/dbraw/zinc/59/98/61/1066599861.db2.gz KGLVAOFQQVULMO-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN CC(C)Oc1cccc([C@@H](O)CNC(=O)COc2ccc3ccccc3c2Br)c1 ZINC001445672395 1066599959 /nfs/dbraw/zinc/59/99/59/1066599959.db2.gz QCOFLXYRERXGPT-FQEVSTJZSA-N 0 0 458.352 4.618 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(F)cccc2Cl)CCO1 ZINC001546082876 1066600388 /nfs/dbraw/zinc/60/03/88/1066600388.db2.gz FGEJFMDLYVMDFI-OAQYLSRUSA-N 0 0 496.812 4.892 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)s1 ZINC001361252722 1066600486 /nfs/dbraw/zinc/60/04/86/1066600486.db2.gz QFMISHXBPCVHOL-UWJYYQICSA-N 0 0 484.670 4.935 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3CCN(C(=O)OCC(C)C)CC3)s2)cc1 ZINC001456498547 1066600961 /nfs/dbraw/zinc/60/09/61/1066600961.db2.gz HNJILHMJRKDJAA-MRXNPFEDSA-N 0 0 459.612 4.809 20 0 JJADRN C[C@@H]1CCC[C@H](C)N(C(=O)c2c(F)c(Br)ccc2I)C1 ZINC001456498546 1066601002 /nfs/dbraw/zinc/60/10/02/1066601002.db2.gz BITJLSDULWDPLP-ZJUUUORDSA-N 0 0 454.121 4.844 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001361253095 1066601043 /nfs/dbraw/zinc/60/10/43/1066601043.db2.gz XPRXGGBRAIXGRG-MRXNPFEDSA-N 0 0 456.616 4.602 20 0 JJADRN C[C@H]1CCC[C@H](C)N(C(=O)c2c(F)c(Br)ccc2I)C1 ZINC001456498542 1066601064 /nfs/dbraw/zinc/60/10/64/1066601064.db2.gz BITJLSDULWDPLP-UWVGGRQHSA-N 0 0 454.121 4.844 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC001445677910 1066601123 /nfs/dbraw/zinc/60/11/23/1066601123.db2.gz MFECVTQONRXWHS-GOSISDBHSA-N 0 0 456.637 4.581 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001456499622 1066601728 /nfs/dbraw/zinc/60/17/28/1066601728.db2.gz DIUWSJBHPCJOBC-ZDUSSCGKSA-N 0 0 459.718 4.598 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)cc1 ZINC001361253966 1066601696 /nfs/dbraw/zinc/60/16/96/1066601696.db2.gz LBHDZOLOSBDCCT-UHFFFAOYSA-N 0 0 450.491 4.510 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001445680979 1066601895 /nfs/dbraw/zinc/60/18/95/1066601895.db2.gz SMRWDWKGOAQGEZ-AOMKIAJQSA-N 0 0 456.990 4.514 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@]3(C)Cc4ccc(C)cc4C(=O)O3)s2)cc1 ZINC001456501076 1066602253 /nfs/dbraw/zinc/60/22/53/1066602253.db2.gz RAXHIVBRZNCEJN-PUAOIOHZSA-N 0 0 450.560 4.785 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC001456501165 1066602357 /nfs/dbraw/zinc/60/23/57/1066602357.db2.gz UDGMQFMNZVGTCX-HSZRJFAPSA-N 0 0 456.608 4.531 20 0 JJADRN COC1CCN(c2ccc(NC(=O)c3cc(Cl)nc(N(C)C)c3)cc2C(F)(F)F)CC1 ZINC001361254421 1066602403 /nfs/dbraw/zinc/60/24/03/1066602403.db2.gz VSWDXEGAVGUBRS-UHFFFAOYSA-N 0 0 456.896 4.687 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361254466 1066602451 /nfs/dbraw/zinc/60/24/51/1066602451.db2.gz KJNQNCKTTDVDGA-NRFANRHFSA-N 0 0 471.602 4.625 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(I)cc2)o1 ZINC001361254358 1066602460 /nfs/dbraw/zinc/60/24/60/1066602460.db2.gz JPMABTRGKWUIFV-IBGZPJMESA-N 0 0 492.361 4.710 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)C2)cc(OC)c1 ZINC001445683579 1066603010 /nfs/dbraw/zinc/60/30/10/1066603010.db2.gz DKHOFLIDWXDKAP-JOCHJYFZSA-N 0 0 459.546 4.673 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)s1 ZINC001361255029 1066603051 /nfs/dbraw/zinc/60/30/51/1066603051.db2.gz GBVVFSFFMRJLSF-NRFANRHFSA-N 0 0 483.638 4.641 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@H]2C)o1 ZINC001361255426 1066603714 /nfs/dbraw/zinc/60/37/14/1066603714.db2.gz LKPZBBYNTBYZOB-HLAWJBBLSA-N 0 0 487.645 4.603 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccccc2)o1 ZINC001361255760 1066603740 /nfs/dbraw/zinc/60/37/40/1066603740.db2.gz PEMSIPKTTVFLDA-UHFFFAOYSA-N 0 0 465.598 4.979 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)o1 ZINC001361255427 1066603770 /nfs/dbraw/zinc/60/37/70/1066603770.db2.gz LKPZBBYNTBYZOB-HMXCVIKNSA-N 0 0 487.645 4.603 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)s1 ZINC001361256103 1066604248 /nfs/dbraw/zinc/60/42/48/1066604248.db2.gz XXVWFACWZKFSLD-INIZCTEOSA-N 0 0 452.502 4.735 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001456504643 1066604311 /nfs/dbraw/zinc/60/43/11/1066604311.db2.gz JSURTNUQYAQEOC-DOTOQJQBSA-N 0 0 471.461 4.913 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cs2)cc1 ZINC001456505970 1066604324 /nfs/dbraw/zinc/60/43/24/1066604324.db2.gz KRWPKVQOPJJFKW-UHFFFAOYSA-N 0 0 454.939 4.593 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001445689286 1066604420 /nfs/dbraw/zinc/60/44/20/1066604420.db2.gz PKTPQRPRAFYOTG-UPVQGACJSA-N 0 0 451.469 4.525 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(F)c(F)c2F)c2ccc(Cl)cc2)c1 ZINC001361256670 1066605021 /nfs/dbraw/zinc/60/50/21/1066605021.db2.gz FMSYVYPLXHNQNT-FQEVSTJZSA-N 0 0 453.869 4.680 20 0 JJADRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001361256455 1066605039 /nfs/dbraw/zinc/60/50/39/1066605039.db2.gz CGUCRYXHDHISMZ-CYBMUJFWSA-N 0 0 456.867 4.722 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)[nH]n2)c1C ZINC001445695772 1066605702 /nfs/dbraw/zinc/60/57/02/1066605702.db2.gz DULBILJKGNXDNW-SIKLNZKXSA-N 0 0 453.587 4.792 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)Cc3sc(C)nc3-c3cccs3)C2)cc(OC)c1 ZINC001445697509 1066605742 /nfs/dbraw/zinc/60/57/42/1066605742.db2.gz ZJZHNVSFQSFQRL-MRXNPFEDSA-N 0 0 457.621 4.843 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3nn(-c4ccccc4Cl)cc3C)C2)cc(OC)c1 ZINC001445696702 1066605767 /nfs/dbraw/zinc/60/57/67/1066605767.db2.gz XYRAIIBTTJGCCO-KRWDZBQOSA-N 0 0 454.958 4.568 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361257875 1066606302 /nfs/dbraw/zinc/60/63/02/1066606302.db2.gz KCCUTWSORZXYQF-MRXNPFEDSA-N 0 0 483.485 4.569 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361257874 1066606307 /nfs/dbraw/zinc/60/63/07/1066606307.db2.gz KCCUTWSORZXYQF-INIZCTEOSA-N 0 0 483.485 4.569 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)s1 ZINC001361257902 1066606329 /nfs/dbraw/zinc/60/63/29/1066606329.db2.gz LGQVBGDECHTZAE-XMMPIXPASA-N 0 0 468.026 4.831 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)[C@H]1c1cccnc1 ZINC001456510774 1066606317 /nfs/dbraw/zinc/60/63/17/1066606317.db2.gz FUDHFJFPOXPIDH-NZQKXSOJSA-N 0 0 462.937 4.536 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001456509366 1066606384 /nfs/dbraw/zinc/60/63/84/1066606384.db2.gz DLJVIOVAEIVBBM-FHJLPGHOSA-N 0 0 454.542 4.901 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361257876 1066606336 /nfs/dbraw/zinc/60/63/36/1066606336.db2.gz KCIGDYOBIOLCMS-GOSISDBHSA-N 0 0 467.614 4.876 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC001445700592 1066606463 /nfs/dbraw/zinc/60/64/63/1066606463.db2.gz KLTWUPYPNQKXRA-WSTZPKSXSA-N 0 0 460.619 4.631 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Cl)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001445704241 1066606924 /nfs/dbraw/zinc/60/69/24/1066606924.db2.gz BJCFKJUVTSDJHU-ZDUSSCGKSA-N 0 0 452.691 4.998 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258392 1066607541 /nfs/dbraw/zinc/60/75/41/1066607541.db2.gz WHUFCWBNSQCYCC-OAHLLOKOSA-N 0 0 451.369 4.712 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)c2)C1 ZINC001361258170 1066607583 /nfs/dbraw/zinc/60/75/83/1066607583.db2.gz TXYRDEGAOKBALD-ROUUACIJSA-N 0 0 456.608 4.834 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361258718 1066608433 /nfs/dbraw/zinc/60/84/33/1066608433.db2.gz BFRBDIXYTUCLEG-GOSISDBHSA-N 0 0 451.958 4.923 20 0 JJADRN C[C@H]1CN(C(=O)CC2(CSc3ccccc3)CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258544 1066608490 /nfs/dbraw/zinc/60/84/90/1066608490.db2.gz XQGMYJOANAAZIX-IBGZPJMESA-N 0 0 457.039 4.904 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1OCc1ccccc1F ZINC001456513670 1066608558 /nfs/dbraw/zinc/60/85/58/1066608558.db2.gz IJBQHEONZVGFBZ-LAUBAEHRSA-N 0 0 457.546 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCC3(Cc4ccccc4)CCC3)ccc2C1 ZINC001445710131 1066608556 /nfs/dbraw/zinc/60/85/56/1066608556.db2.gz JQLLTFCIVXWGFZ-UHFFFAOYSA-N 0 0 450.579 4.959 20 0 JJADRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC(F)(F)F)cc1 ZINC001445708583 1066608602 /nfs/dbraw/zinc/60/86/02/1066608602.db2.gz GRDZXACJYJXEQD-LBPRGKRZSA-N 0 0 453.770 4.661 20 0 JJADRN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c(-c2ccc(F)cc2F)n1 ZINC001445709975 1066608611 /nfs/dbraw/zinc/60/86/11/1066608611.db2.gz ITRDKSFJEDBGOY-OAHLLOKOSA-N 0 0 459.928 4.640 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC001361258874 1066609007 /nfs/dbraw/zinc/60/90/07/1066609007.db2.gz HVSCQIKNSJKFBN-QGZVFWFLSA-N 0 0 469.602 4.821 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(OC)c(OC4CCCC4)c3)CC2)c1 ZINC001445715938 1066609134 /nfs/dbraw/zinc/60/91/34/1066609134.db2.gz PCRSHZAYTTZWTK-UHFFFAOYSA-N 0 0 452.551 4.520 20 0 JJADRN CCC(CC)n1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)n1 ZINC001456515575 1066609178 /nfs/dbraw/zinc/60/91/78/1066609178.db2.gz GDFLEZRVTUZEJC-UHFFFAOYSA-N 0 0 454.615 4.943 20 0 JJADRN CC[C@@](O)(CCC(F)(F)F)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001456516361 1066609235 /nfs/dbraw/zinc/60/92/35/1066609235.db2.gz XYAPQRSQDQMHNY-QGZVFWFLSA-N 0 0 454.436 4.971 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCCc3ccccc3)n2CC(=O)N(C)C2CCCCC2)o1 ZINC001361259163 1066609707 /nfs/dbraw/zinc/60/97/07/1066609707.db2.gz SLCIWOCNWRLWSR-UHFFFAOYSA-N 0 0 463.626 4.782 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC001456516708 1066609900 /nfs/dbraw/zinc/60/99/00/1066609900.db2.gz KGISGIMOSMPVNR-QHCPKHFHSA-N 0 0 452.570 4.941 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)CCCc3ccc(Br)cc3)CC2)c1 ZINC001445716325 1066609937 /nfs/dbraw/zinc/60/99/37/1066609937.db2.gz SDDKBYFORQZTEW-UHFFFAOYSA-N 0 0 459.384 4.662 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ncsc3Nc3ccc(C)cc3)CC2)c1 ZINC001445716569 1066609954 /nfs/dbraw/zinc/60/99/54/1066609954.db2.gz WIFZUBNVIJFMAV-UHFFFAOYSA-N 0 0 450.564 4.698 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC001361259766 1066610318 /nfs/dbraw/zinc/61/03/18/1066610318.db2.gz BQCFAZIUBRNENA-XMMPIXPASA-N 0 0 459.583 4.971 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1 ZINC001456519104 1066610387 /nfs/dbraw/zinc/61/03/87/1066610387.db2.gz OJDNBTRTHBFEPH-UHFFFAOYSA-N 0 0 459.527 4.951 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC001456520583 1066611049 /nfs/dbraw/zinc/61/10/49/1066611049.db2.gz ZXLNCZFZHHULGA-QFIPXVFZSA-N 0 0 452.620 4.789 20 0 JJADRN CCc1ccccc1OCC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456519690 1066611171 /nfs/dbraw/zinc/61/11/71/1066611171.db2.gz UXWMHXXMJIPEAK-UHFFFAOYSA-N 0 0 452.595 4.713 20 0 JJADRN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)n1 ZINC001456519462 1066611236 /nfs/dbraw/zinc/61/12/36/1066611236.db2.gz UBIGGNXIHZYWBQ-NRFANRHFSA-N 0 0 454.615 4.536 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3cc(Br)c(F)cc3C)C2)cc(OC)c1 ZINC001445721066 1066611084 /nfs/dbraw/zinc/61/10/84/1066611084.db2.gz BDZGMZBTNPXNBR-CQSZACIVSA-N 0 0 451.336 4.631 20 0 JJADRN CC1(C)C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c2ccccc21 ZINC001445720698 1066611231 /nfs/dbraw/zinc/61/12/31/1066611231.db2.gz LUXCINBHTKORSL-JOCHJYFZSA-N 0 0 456.514 4.918 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2)cn1 ZINC001456521797 1066611684 /nfs/dbraw/zinc/61/16/84/1066611684.db2.gz PURGEIWAUFMTPF-FYYLOGMGSA-N 0 0 453.583 4.782 20 0 JJADRN COc1cccc([C@H](NC(=O)CCc2c(C)nc(SC)[nH]c2=O)c2ccccc2Cl)c1 ZINC001456524986 1066612351 /nfs/dbraw/zinc/61/23/51/1066612351.db2.gz RYGLYZKRECUHJJ-NRFANRHFSA-N 0 0 457.983 4.713 20 0 JJADRN Cc1cc(CCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)ccc1Br ZINC001456523524 1066612476 /nfs/dbraw/zinc/61/24/76/1066612476.db2.gz RIMGQDYGYZUZOQ-PKOBYXMFSA-N 0 0 453.421 4.890 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001361261244 1066612418 /nfs/dbraw/zinc/61/24/18/1066612418.db2.gz LYZWDQQNIGKPKF-WJOKGBTCSA-N 0 0 464.632 4.550 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCSC2)o1 ZINC001361261370 1066612791 /nfs/dbraw/zinc/61/27/91/1066612791.db2.gz QUXBIFCUIPRXCJ-VWLOTQADSA-N 0 0 470.639 4.560 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC001456525389 1066612890 /nfs/dbraw/zinc/61/28/90/1066612890.db2.gz UGPPTACUONEARI-QHCPKHFHSA-N 0 0 458.002 4.728 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3sc(-c4ccccc4F)nc3C)C2)cc(OC)c1 ZINC001445736672 1066612958 /nfs/dbraw/zinc/61/29/58/1066612958.db2.gz XVUUYRAAUKVKCE-INIZCTEOSA-N 0 0 455.555 4.992 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC001445737332 1066613020 /nfs/dbraw/zinc/61/30/20/1066613020.db2.gz ZZLLEXDPCRAUOG-UHFFFAOYSA-N 0 0 452.146 4.940 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1c(F)ccc(Br)c1F ZINC001456526048 1066613632 /nfs/dbraw/zinc/61/36/32/1066613632.db2.gz GXVTYJJSSJAXDO-UHFFFAOYSA-N 0 0 454.271 4.780 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001456526279 1066613644 /nfs/dbraw/zinc/61/36/44/1066613644.db2.gz ADSYOTVROLHNAK-HXUWFJFHSA-N 0 0 455.555 4.835 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 ZINC001456526035 1066613670 /nfs/dbraw/zinc/61/36/70/1066613670.db2.gz GGMXUNYRBYSATC-CMDGGOBGSA-N 0 0 455.511 4.687 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC(F)(F)C2)s1 ZINC001361261393 1066613740 /nfs/dbraw/zinc/61/37/40/1066613740.db2.gz RHIGRKQBNIATEY-KRWDZBQOSA-N 0 0 451.587 4.622 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001445739599 1066613796 /nfs/dbraw/zinc/61/37/96/1066613796.db2.gz OAEYSHYLPUEVPZ-DENIHFKCSA-N 0 0 453.311 4.920 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001456528806 1066614216 /nfs/dbraw/zinc/61/42/16/1066614216.db2.gz ZEYNJZQYCTWDMI-HSZRJFAPSA-N 0 0 457.979 4.888 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445747832 1066614607 /nfs/dbraw/zinc/61/46/07/1066614607.db2.gz OEPXSPICRXKUSQ-CQSZACIVSA-N 0 0 452.473 4.857 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3[nH]c(=O)[nH]c(=O)c3N)cc2F)cc1 ZINC001456532164 1066614914 /nfs/dbraw/zinc/61/49/14/1066614914.db2.gz AAIVFCXFKXQKSQ-CYBMUJFWSA-N 0 0 456.543 4.717 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)CN2CCOCC2)o1 ZINC001361261850 1066614912 /nfs/dbraw/zinc/61/49/12/1066614912.db2.gz YUXIYRYYXZFLEO-OAQYLSRUSA-N 0 0 495.668 4.661 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC2CCOCC2)o1 ZINC001361261716 1066614993 /nfs/dbraw/zinc/61/49/93/1066614993.db2.gz HZTKQKIJLUBMGK-OYRHEFFESA-N 0 0 487.645 4.793 20 0 JJADRN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc2ccccc2cc1OC(F)F ZINC001445775781 1066615124 /nfs/dbraw/zinc/61/51/24/1066615124.db2.gz AIOUYQCSDYZIQT-MRXNPFEDSA-N 0 0 455.379 4.630 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001545978691 1066615135 /nfs/dbraw/zinc/61/51/35/1066615135.db2.gz JDRNFBOXRXVBHG-UHFFFAOYSA-N 0 0 456.424 4.730 20 0 JJADRN COc1cc(OC)cc([C@H](O)CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 ZINC001445764697 1066615224 /nfs/dbraw/zinc/61/52/24/1066615224.db2.gz XBELELDCPTZNOH-LJQANCHMSA-N 0 0 450.516 4.551 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NC[C@H](O)COc1ccc(F)cc1)c(C)n2C1CCCCC1 ZINC001445774519 1066615261 /nfs/dbraw/zinc/61/52/61/1066615261.db2.gz AFVZERFRPZIHIQ-FQEVSTJZSA-N 0 0 454.542 4.772 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCC(C)CC2)c(OCC2CC2)c1 ZINC001361262099 1066615388 /nfs/dbraw/zinc/61/53/88/1066615388.db2.gz RHQZGBTYBPRTAS-UHFFFAOYSA-N 0 0 453.631 4.577 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc21 ZINC001456532996 1066615381 /nfs/dbraw/zinc/61/53/81/1066615381.db2.gz DQPYHJSPGBYASN-SFHVURJKSA-N 0 0 454.567 4.651 20 0 JJADRN O=C(NC[C@H](O)C1CCCCC1)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001445777788 1066615806 /nfs/dbraw/zinc/61/58/06/1066615806.db2.gz KHAPFGVVHIXTJG-NRFANRHFSA-N 0 0 454.368 4.730 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C3CC3)n2CCNC(=O)OC(C)(C)C)s1 ZINC001361262304 1066616100 /nfs/dbraw/zinc/61/61/00/1066616100.db2.gz ZUUVKBJPDMARCU-UHFFFAOYSA-N 0 0 457.600 4.850 20 0 JJADRN COc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001361262740 1066616123 /nfs/dbraw/zinc/61/61/23/1066616123.db2.gz WXFMBTKEIXOTFA-DEOSSOPVSA-N 0 0 457.979 4.509 20 0 JJADRN COc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001361262741 1066616193 /nfs/dbraw/zinc/61/61/93/1066616193.db2.gz WXFMBTKEIXOTFA-XMMPIXPASA-N 0 0 457.979 4.509 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccnc(OCC(F)F)c1 ZINC001456535534 1066616710 /nfs/dbraw/zinc/61/67/10/1066616710.db2.gz NZSRYKOQLOGOHJ-UHFFFAOYSA-N 0 0 452.436 4.647 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3COc4c3cccc4Cl)c2)c1 ZINC001445784161 1066616725 /nfs/dbraw/zinc/61/67/25/1066616725.db2.gz KVBCDCGNYFXGRI-HXUWFJFHSA-N 0 0 456.951 4.621 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c1C ZINC001445788625 1066617358 /nfs/dbraw/zinc/61/73/58/1066617358.db2.gz QPMWIHCEJZEYRQ-MRXNPFEDSA-N 0 0 456.587 4.609 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c1C ZINC001445788624 1066617427 /nfs/dbraw/zinc/61/74/27/1066617427.db2.gz QPMWIHCEJZEYRQ-INIZCTEOSA-N 0 0 456.587 4.609 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)C12CCC2 ZINC001456537342 1066617457 /nfs/dbraw/zinc/61/74/57/1066617457.db2.gz VLCHEGNQKRPEFA-IAGOWNOFSA-N 0 0 451.386 4.659 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001445787489 1066617486 /nfs/dbraw/zinc/61/74/86/1066617486.db2.gz XRSVMHGLUGGCAH-YADARESESA-N 0 0 457.542 4.971 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC001445785966 1066617494 /nfs/dbraw/zinc/61/74/94/1066617494.db2.gz WGHJARQRJDHWSW-IBGZPJMESA-N 0 0 451.485 4.559 20 0 JJADRN COc1cccc(C(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c2cccc(OC)c2)c1 ZINC001361265825 1066617965 /nfs/dbraw/zinc/61/79/65/1066617965.db2.gz IKKIWDDLLAZAON-UHFFFAOYSA-N 0 0 451.954 4.872 20 0 JJADRN COC(=O)c1cnc(N(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C2CC2)s1 ZINC001456537991 1066618085 /nfs/dbraw/zinc/61/80/85/1066618085.db2.gz BMOOTQSIXQMGSJ-UHFFFAOYSA-N 0 0 455.483 4.686 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(C)c(-c4cnn(C)c4)c3)ccc2C)ccn1 ZINC001361265803 1066618022 /nfs/dbraw/zinc/61/80/22/1066618022.db2.gz IAIKNTZEKTYENL-UHFFFAOYSA-N 0 0 455.518 4.503 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)[C@H](C)Cc3cncc4ccccc43)ccc2C)ccn1 ZINC001361265648 1066618036 /nfs/dbraw/zinc/61/80/36/1066618036.db2.gz DLOXSMXREBJCNZ-GOSISDBHSA-N 0 0 454.530 4.907 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001445792164 1066618080 /nfs/dbraw/zinc/61/80/80/1066618080.db2.gz CJWFQYHISUGLDN-LRTDBIEQSA-N 0 0 456.905 4.917 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001445792175 1066618104 /nfs/dbraw/zinc/61/81/04/1066618104.db2.gz CJWFQYHISUGLDN-YEJXKQKISA-N 0 0 456.905 4.917 20 0 JJADRN COc1cccc(C(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)c2cccc(OC)c2)c1 ZINC001361265489 1066618095 /nfs/dbraw/zinc/61/80/95/1066618095.db2.gz AZGBISOWHKIGHV-UHFFFAOYSA-N 0 0 454.567 4.747 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)c2c1C ZINC001445791922 1066618163 /nfs/dbraw/zinc/61/81/63/1066618163.db2.gz BWQWODILTCONEF-MGNBDDOMSA-N 0 0 453.992 4.739 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)C3(c4ccc(F)cc4F)CCC3)ccc2C)ccn1 ZINC001361266057 1066618512 /nfs/dbraw/zinc/61/85/12/1066618512.db2.gz MQHMHRXZUOWVTE-UHFFFAOYSA-N 0 0 451.473 4.881 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)C12CCC2 ZINC001456538330 1066618623 /nfs/dbraw/zinc/61/86/23/1066618623.db2.gz ZNRJXBIAJAHIDZ-KBPBESRZSA-N 0 0 454.135 4.676 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N(CC1CCC1)c1ccccc1)Cc1ccccc1 ZINC001361266056 1066618672 /nfs/dbraw/zinc/61/86/72/1066618672.db2.gz MQDWGZLQAMOSGM-UHFFFAOYSA-N 0 0 451.611 4.847 20 0 JJADRN COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1 ZINC001445794663 1066618832 /nfs/dbraw/zinc/61/88/32/1066618832.db2.gz VKOIMYWCQUGVES-NRFANRHFSA-N 0 0 458.461 4.512 20 0 JJADRN COc1cc(/C=C(/C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c2ccccc2)ccc1O ZINC001445797384 1066619312 /nfs/dbraw/zinc/61/93/12/1066619312.db2.gz HNUNMRHKDJKFCL-DJPGGWLISA-N 0 0 455.913 4.972 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445795328 1066619397 /nfs/dbraw/zinc/61/93/97/1066619397.db2.gz FXTNFVOQHIUHOQ-QFIXIFRTSA-N 0 0 451.394 4.685 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1C ZINC001361268095 1066620541 /nfs/dbraw/zinc/62/05/41/1066620541.db2.gz VRCYZXHDWGVLDC-NRFANRHFSA-N 0 0 450.604 4.811 20 0 JJADRN O=C(Cc1coc(-c2ccccc2)n1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001456541633 1066620644 /nfs/dbraw/zinc/62/06/44/1066620644.db2.gz WSPISQZUACFDLL-UHFFFAOYSA-N 0 0 456.218 4.621 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)CC2CCOCC2)s1 ZINC001361267813 1066620582 /nfs/dbraw/zinc/62/05/82/1066620582.db2.gz DCBQBGDEFXPHLQ-UHFFFAOYSA-N 0 0 461.429 4.989 20 0 JJADRN COC(=O)c1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cc1F ZINC001361267956 1066620676 /nfs/dbraw/zinc/62/06/76/1066620676.db2.gz SETQXCINGHMBKH-UHFFFAOYSA-N 0 0 457.523 4.576 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)nnn1-c1cccc(Cl)c1 ZINC001445804161 1066620562 /nfs/dbraw/zinc/62/05/62/1066620562.db2.gz OMNJOFABJGIXBI-JEOXALJRSA-N 0 0 453.757 4.642 20 0 JJADRN COc1cc(/C=C(\C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c2ccccc2)ccc1O ZINC001445800979 1066620652 /nfs/dbraw/zinc/62/06/52/1066620652.db2.gz JWUJRLRWNOFZDB-QUYTYNJFSA-N 0 0 457.448 4.810 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)nnn1-c1cccc(Cl)c1 ZINC001445804163 1066620669 /nfs/dbraw/zinc/62/06/69/1066620669.db2.gz OMNJOFABJGIXBI-WLRWDXFRSA-N 0 0 453.757 4.642 20 0 JJADRN Cc1ccc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)CCC(F)F)c(=O)n1C ZINC001361268466 1066621294 /nfs/dbraw/zinc/62/12/94/1066621294.db2.gz LORBWCXDMBYHFZ-UHFFFAOYSA-N 0 0 477.968 4.960 20 0 JJADRN C[C@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](O)c1c(F)cccc1Cl ZINC001445805729 1066621377 /nfs/dbraw/zinc/62/13/77/1066621377.db2.gz PFXWOYQSSRNFNT-DRWCTHJISA-N 0 0 459.867 4.685 20 0 JJADRN CC(C)OCc1c2ccccc2oc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC001445808167 1066621902 /nfs/dbraw/zinc/62/19/02/1066621902.db2.gz ATWZLZRMVORAEJ-AWEZNQCLSA-N 0 0 452.334 4.834 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001361268735 1066621769 /nfs/dbraw/zinc/62/17/69/1066621769.db2.gz WOZBQJUDRKHURS-IXDOHACOSA-N 0 0 497.086 4.748 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001445815125 1066622701 /nfs/dbraw/zinc/62/27/01/1066622701.db2.gz GLSGGHPCENTUQO-GDBMZVCRSA-N 0 0 459.400 4.967 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445815244 1066622706 /nfs/dbraw/zinc/62/27/06/1066622706.db2.gz KSUROXJQRRLVBV-WVQJBOLRSA-N 0 0 451.272 4.878 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H](C)c1ccc(C)cc1)C2 ZINC001456552284 1066623896 /nfs/dbraw/zinc/62/38/96/1066623896.db2.gz PEYVGURWSOECPC-UTKZUKDTSA-N 0 0 454.567 4.598 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cccnc3OCC(F)F)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361270689 1066624247 /nfs/dbraw/zinc/62/42/47/1066624247.db2.gz KHJNISBIFBTGJI-CHWSQXEVSA-N 0 0 459.415 4.610 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC001445831632 1066624325 /nfs/dbraw/zinc/62/43/25/1066624325.db2.gz WNULJFVEVDYMLH-INIZCTEOSA-N 0 0 450.530 4.932 20 0 JJADRN Cn1ccnc1CNc1ccc(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1 ZINC001456558517 1066624238 /nfs/dbraw/zinc/62/42/38/1066624238.db2.gz UFCPZOMUVLTPCG-UHFFFAOYSA-N 0 0 459.775 4.647 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC001445835644 1066624798 /nfs/dbraw/zinc/62/47/98/1066624798.db2.gz SIWVRRBUFJKKDO-MJGOQNOKSA-N 0 0 454.394 4.661 20 0 JJADRN COc1ccccc1NCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456561444 1066625015 /nfs/dbraw/zinc/62/50/15/1066625015.db2.gz DZEKOTVVVSQSAA-UHFFFAOYSA-N 0 0 454.324 4.761 20 0 JJADRN C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)COc1ccc(C=O)cc1Br ZINC001456560298 1066625094 /nfs/dbraw/zinc/62/50/94/1066625094.db2.gz AYKAVHCXLUQUTJ-LJQANCHMSA-N 0 0 456.789 4.979 20 0 JJADRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC001445846236 1066625643 /nfs/dbraw/zinc/62/56/43/1066625643.db2.gz APFUCNQZHRBENY-JOCHJYFZSA-N 0 0 459.525 4.771 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)[C@@H](O)Cc1ccccc1 ZINC001545979176 1066625687 /nfs/dbraw/zinc/62/56/87/1066625687.db2.gz VSSVXQNZJDXZRS-QRQCRPRQSA-N 0 0 457.357 4.968 20 0 JJADRN C[C@]1(Cc2cccs2)CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001456565679 1066626965 /nfs/dbraw/zinc/62/69/65/1066626965.db2.gz CZDKXNSXEROEJX-HXUWFJFHSA-N 0 0 450.402 4.646 20 0 JJADRN C[C@@]1(Cc2cccs2)CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001456565677 1066626981 /nfs/dbraw/zinc/62/69/81/1066626981.db2.gz CZDKXNSXEROEJX-FQEVSTJZSA-N 0 0 450.402 4.646 20 0 JJADRN COC(=O)c1cccc2c1OCCN(C(=O)c1ccc(COc3ccc(Cl)cc3)cc1)C2 ZINC001456565606 1066627103 /nfs/dbraw/zinc/62/71/03/1066627103.db2.gz WPJQOGNQNFSUQX-UHFFFAOYSA-N 0 0 451.906 4.740 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)C2 ZINC001445858910 1066627151 /nfs/dbraw/zinc/62/71/51/1066627151.db2.gz APLKGGFRJHFHTP-BJKOFHAPSA-N 0 0 455.476 4.944 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H]2CCCOC2)cc1 ZINC001361272620 1066627570 /nfs/dbraw/zinc/62/75/70/1066627570.db2.gz JKYCXRPUNZLBET-QGZVFWFLSA-N 0 0 461.429 4.989 20 0 JJADRN CCCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001456566845 1066627918 /nfs/dbraw/zinc/62/79/18/1066627918.db2.gz UWIAZRSIMNLVLT-QMQMXIOFSA-N 0 0 452.639 4.915 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1 ZINC001445864470 1066627946 /nfs/dbraw/zinc/62/79/46/1066627946.db2.gz HNUOXRPCEFCQQF-VQIMIIECSA-N 0 0 452.356 4.727 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC001445865915 1066628430 /nfs/dbraw/zinc/62/84/30/1066628430.db2.gz YDPFGBNIBCLBPP-QGZVFWFLSA-N 0 0 453.366 4.860 20 0 JJADRN CC[C@H](C)CC[C@@H](O)CC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 ZINC001456571741 1066628463 /nfs/dbraw/zinc/62/84/63/1066628463.db2.gz ZYERTKFJZHCOBD-LDQXTDLNSA-N 0 0 457.396 4.792 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccs2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456570542 1066628525 /nfs/dbraw/zinc/62/85/25/1066628525.db2.gz OMOAYXUUMIYJFO-SANMLTNESA-N 0 0 454.636 4.994 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cn1 ZINC001361273226 1066628852 /nfs/dbraw/zinc/62/88/52/1066628852.db2.gz PJPFVCWZQUBYTJ-GOSISDBHSA-N 0 0 496.331 4.535 20 0 JJADRN Cc1ccc(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)CC(=O)NC(C)C)c(F)c1 ZINC001361273095 1066628870 /nfs/dbraw/zinc/62/88/70/1066628870.db2.gz OBALPENURUNJRQ-UHFFFAOYSA-N 0 0 469.630 4.732 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cn1 ZINC001361273212 1066628995 /nfs/dbraw/zinc/62/89/95/1066628995.db2.gz XBJLFGJDNYVIMH-ACJLOTCBSA-N 0 0 469.870 4.645 20 0 JJADRN CC(C)(C(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001445870543 1066629092 /nfs/dbraw/zinc/62/90/92/1066629092.db2.gz RRAGSRCNSGWSJZ-HNNXBMFYSA-N 0 0 458.318 4.713 20 0 JJADRN Cn1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc2cc(C(F)(F)F)ccc21 ZINC001361273473 1066629508 /nfs/dbraw/zinc/62/95/08/1066629508.db2.gz QPZVMWQDSOIULL-SJORKVTESA-N 0 0 451.489 4.811 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Br ZINC001445875997 1066629691 /nfs/dbraw/zinc/62/96/91/1066629691.db2.gz ZFCMCHMSZRXEIN-GFCCVEGCSA-N 0 0 450.682 4.702 20 0 JJADRN CC(C)COc1cc(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001456577766 1066630259 /nfs/dbraw/zinc/63/02/59/1066630259.db2.gz YFRHOFBGMVQWRD-AWEZNQCLSA-N 0 0 455.393 4.925 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)C[C@@H](c2ccsc2)O1 ZINC001445883981 1066630357 /nfs/dbraw/zinc/63/03/57/1066630357.db2.gz DXQAFYBPQNZJQM-VMDGZTHMSA-N 0 0 452.523 4.581 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(O)c1 ZINC001445882244 1066630396 /nfs/dbraw/zinc/63/03/96/1066630396.db2.gz QLUJFSVMBVMXAB-QGZVFWFLSA-N 0 0 451.331 4.857 20 0 JJADRN Cc1c[nH]c(-c2ccccc2NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001445887365 1066630960 /nfs/dbraw/zinc/63/09/60/1066630960.db2.gz UNACAMSXECLGQE-UHFFFAOYSA-N 0 0 456.468 4.895 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1c[nH]c2cccc(Br)c21 ZINC001445887477 1066630981 /nfs/dbraw/zinc/63/09/81/1066630981.db2.gz UUYLHHJMCZDKSD-FQEVSTJZSA-N 0 0 455.352 4.757 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3)cn2)ccn1 ZINC001361274626 1066631651 /nfs/dbraw/zinc/63/16/51/1066631651.db2.gz CBALHEPMTYVBIE-UHFFFAOYSA-N 0 0 458.449 4.812 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361274432 1066631699 /nfs/dbraw/zinc/63/16/99/1066631699.db2.gz DJTPBSHCLQNACL-HXUWFJFHSA-N 0 0 494.615 4.919 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)/C=C\c2ccccc2OC(F)(F)F)ccn1 ZINC001361274993 1066632271 /nfs/dbraw/zinc/63/22/71/1066632271.db2.gz GJJVYXJPFAHWDG-KHPPLWFESA-N 0 0 457.408 4.784 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC001456582824 1066632216 /nfs/dbraw/zinc/63/22/16/1066632216.db2.gz ZSTGJYUGSFZKIO-UHFFFAOYSA-N 0 0 452.986 4.595 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N[C@H](COCc2ccccc2)c2ccccc2)C1 ZINC001456582416 1066632265 /nfs/dbraw/zinc/63/22/65/1066632265.db2.gz GESCICWEENIRBZ-RRPNLBNLSA-N 0 0 456.586 4.542 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCSC[C@@H]2CCO)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001445899803 1066632475 /nfs/dbraw/zinc/63/24/75/1066632475.db2.gz KRXXXAJJXKRPAW-INIZCTEOSA-N 0 0 454.379 4.577 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361275413 1066632833 /nfs/dbraw/zinc/63/28/33/1066632833.db2.gz RLADKLYCESIPQW-NRFANRHFSA-N 0 0 491.558 4.833 20 0 JJADRN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001361275521 1066632871 /nfs/dbraw/zinc/63/28/71/1066632871.db2.gz XNMFPIOIEPDGMV-UHFFFAOYSA-N 0 0 453.739 4.749 20 0 JJADRN CC(C)c1cc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)nn1-c1ccccc1 ZINC001456584129 1066632913 /nfs/dbraw/zinc/63/29/13/1066632913.db2.gz GYLHRAUYWIOCPG-UHFFFAOYSA-N 0 0 453.546 4.597 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3)c2)c1 ZINC001456585278 1066632989 /nfs/dbraw/zinc/63/29/89/1066632989.db2.gz LYDRTDUPDUILCX-UHFFFAOYSA-N 0 0 450.560 4.575 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)N1CCN(c2ccccc2O)CC1 ZINC001445908092 1066633121 /nfs/dbraw/zinc/63/31/21/1066633121.db2.gz DXOGPKPUNSMQBL-UHFFFAOYSA-N 0 0 455.341 4.892 20 0 JJADRN CCCN(C(=O)Cc1cc[nH]c(=O)c1Br)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586931 1066633767 /nfs/dbraw/zinc/63/37/67/1066633767.db2.gz ANMGYRGGAMPSPY-NRFANRHFSA-N 0 0 458.331 4.655 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001456586910 1066633786 /nfs/dbraw/zinc/63/37/86/1066633786.db2.gz COMQPFCMXWWCPL-UHFFFAOYSA-N 0 0 459.346 4.867 20 0 JJADRN Cc1c(NC(=O)c2cccc3c(Br)cccc23)cccc1S(=O)(=O)NC1CC1 ZINC001456586795 1066633806 /nfs/dbraw/zinc/63/38/06/1066633806.db2.gz CHBGHALNHVYNLL-UHFFFAOYSA-N 0 0 459.365 4.604 20 0 JJADRN Cc1ccc(C(=O)NCC[S@](=O)C(C)(C)C)cc1OCc1csc(Br)c1 ZINC001456587748 1066634439 /nfs/dbraw/zinc/63/44/39/1066634439.db2.gz CTOYHEZCCSQRLL-SANMLTNESA-N 0 0 458.443 4.675 20 0 JJADRN Cc1ccc(SC2(CNC(=O)CCCCN3C(=O)c4ccccc4C3=O)CCCC2)cc1 ZINC001361277368 1066634824 /nfs/dbraw/zinc/63/48/24/1066634824.db2.gz VQZUYPDGRZZOTK-UHFFFAOYSA-N 0 0 450.604 4.983 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC001445918792 1066635038 /nfs/dbraw/zinc/63/50/38/1066635038.db2.gz JNWDRUGDPWCYBO-SFHVURJKSA-N 0 0 453.476 4.894 20 0 JJADRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)o1 ZINC001456590599 1066635048 /nfs/dbraw/zinc/63/50/48/1066635048.db2.gz DKYKHIVIKZORFG-IBGZPJMESA-N 0 0 456.589 4.848 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)OC(C)(C)C2)c(OCC(F)(F)F)c1 ZINC001361278039 1066635383 /nfs/dbraw/zinc/63/53/83/1066635383.db2.gz LRSVVRANQVMRNV-SFHVURJKSA-N 0 0 489.542 4.950 20 0 JJADRN CC(=O)N[C@H](CC(=O)N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC001456591445 1066635652 /nfs/dbraw/zinc/63/56/52/1066635652.db2.gz SZFVUZXTCIIKGU-RPBOFIJWSA-N 0 0 452.501 4.606 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001492598393 1066636025 /nfs/dbraw/zinc/63/60/25/1066636025.db2.gz MPFTZQRFKBEKPL-KRWDZBQOSA-N 0 0 458.393 4.939 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361278305 1066636126 /nfs/dbraw/zinc/63/61/26/1066636126.db2.gz SKESLVFDZOQXAE-SIKLNZKXSA-N 0 0 453.631 4.950 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456592638 1066636260 /nfs/dbraw/zinc/63/62/60/1066636260.db2.gz JALVZFAGQREQPU-CUNXSJBXSA-N 0 0 450.579 4.518 20 0 JJADRN C[C@@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001361279902 1066636664 /nfs/dbraw/zinc/63/66/64/1066636664.db2.gz OPLWWBUJZIYUBM-IDYZSHNDSA-N 0 0 457.592 4.530 20 0 JJADRN Cc1cc(Br)cc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c1C ZINC001456595902 1066636708 /nfs/dbraw/zinc/63/67/08/1066636708.db2.gz OTWSSIXXNRRNQM-UHFFFAOYSA-N 0 0 452.352 4.668 20 0 JJADRN CC[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545979853 1066636814 /nfs/dbraw/zinc/63/68/14/1066636814.db2.gz JKBZZSBFPHJXII-MOPGFXCFSA-N 0 0 482.629 4.545 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001445931076 1066636887 /nfs/dbraw/zinc/63/68/87/1066636887.db2.gz YCKXMGZTZMSFLW-HXUWFJFHSA-N 0 0 450.055 4.648 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC001456596904 1066637351 /nfs/dbraw/zinc/63/73/51/1066637351.db2.gz VLBSUWPNKIQCGM-NRFANRHFSA-N 0 0 453.608 4.713 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](COC)C1)Oc1ccccc1F ZINC001545979916 1066637366 /nfs/dbraw/zinc/63/73/66/1066637366.db2.gz KTZHMWLPZDHAKO-UXHICEINSA-N 0 0 453.562 4.508 20 0 JJADRN O=C(NCc1ccc(O)cc1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001445937136 1066637383 /nfs/dbraw/zinc/63/73/83/1066637383.db2.gz JHAXWWHSWQLRRP-UHFFFAOYSA-N 0 0 458.539 4.790 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001456598501 1066637398 /nfs/dbraw/zinc/63/73/98/1066637398.db2.gz VTAQQYRCYCYEKG-LJQANCHMSA-N 0 0 450.485 4.602 20 0 JJADRN CC(C)COc1ccc(C2(C(=O)N3CCN(Cc4ccc(Cl)cc4)C(=O)C3)CCC2)cc1 ZINC001456596673 1066637402 /nfs/dbraw/zinc/63/74/02/1066637402.db2.gz OEWMYIASBAFHBO-UHFFFAOYSA-N 0 0 454.998 4.668 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001456599497 1066637999 /nfs/dbraw/zinc/63/79/99/1066637999.db2.gz RECNGVOKMBANHY-LJQANCHMSA-N 0 0 453.452 4.834 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCCCO)C2CC2)s1 ZINC001361280866 1066638112 /nfs/dbraw/zinc/63/81/12/1066638112.db2.gz QNWJUPIZVDHVPQ-LJQANCHMSA-N 0 0 489.686 4.552 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCc3cccc(OC)c32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456601266 1066638628 /nfs/dbraw/zinc/63/86/28/1066638628.db2.gz GXTDJKFBRZKPAW-ZRBLBEILSA-N 0 0 450.579 4.763 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361281232 1066638710 /nfs/dbraw/zinc/63/87/10/1066638710.db2.gz BQHFLJGXNLSBCS-NHCUHLMSSA-N 0 0 496.574 4.721 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCC(F)F)cc1 ZINC001361281187 1066638795 /nfs/dbraw/zinc/63/87/95/1066638795.db2.gz BHLNGDZAHGKXDX-UHFFFAOYSA-N 0 0 463.573 4.841 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456601171 1066638777 /nfs/dbraw/zinc/63/87/77/1066638777.db2.gz HUXYGVVVSDSEKG-UYAOXDASSA-N 0 0 451.567 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)N(Cc2ccccc2Br)C2CCCC2)C1 ZINC001445945297 1066638918 /nfs/dbraw/zinc/63/89/18/1066638918.db2.gz KICSNVKEQJZXQO-UHFFFAOYSA-N 0 0 451.405 4.977 20 0 JJADRN CC[C@H](CNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)Cc1cccc(Br)c1 ZINC001456603602 1066639356 /nfs/dbraw/zinc/63/93/56/1066639356.db2.gz MYEMKLSWMUCXCZ-WGUJIJQLSA-N 0 0 452.433 4.888 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@@H](C(F)F)C2)cn1 ZINC001361281578 1066639324 /nfs/dbraw/zinc/63/93/24/1066639324.db2.gz ICDVACWQNNUDGR-HXUWFJFHSA-N 0 0 490.599 4.626 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc2ccccc2[nH]1 ZINC001361281747 1066639337 /nfs/dbraw/zinc/63/93/37/1066639337.db2.gz CFQCCIBJLALWMQ-FDDCHVKYSA-N 0 0 451.567 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001445955390 1066639601 /nfs/dbraw/zinc/63/96/01/1066639601.db2.gz XGEGQTUIQBYBGM-KRWDZBQOSA-N 0 0 455.368 4.509 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1 ZINC001456603829 1066640088 /nfs/dbraw/zinc/64/00/88/1066640088.db2.gz NMNDOJUPSFBYJM-UHFFFAOYSA-N 0 0 459.546 4.846 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001445955403 1066640400 /nfs/dbraw/zinc/64/04/00/1066640400.db2.gz XNXWMJNRQBQWSV-AWEZNQCLSA-N 0 0 455.908 4.813 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361282979 1066640906 /nfs/dbraw/zinc/64/09/06/1066640906.db2.gz XWYGKTMXUWJRMU-HSZRJFAPSA-N 0 0 483.657 4.530 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCSC[C@H]2C)c(F)c1 ZINC001361282738 1066640963 /nfs/dbraw/zinc/64/09/63/1066640963.db2.gz VZCHMYYLKJCMGF-GOSISDBHSA-N 0 0 489.661 4.830 20 0 JJADRN O=C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccccc1O ZINC001445969677 1066640959 /nfs/dbraw/zinc/64/09/59/1066640959.db2.gz DZRSUJVCPIXWAC-UHFFFAOYSA-N 0 0 458.558 4.760 20 0 JJADRN CCc1cc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c2c(CC(C)(C)C)noc2n1 ZINC001456606258 1066641393 /nfs/dbraw/zinc/64/13/93/1066641393.db2.gz LRLLLCHZGZFTRV-MRXNPFEDSA-N 0 0 458.603 4.751 20 0 JJADRN COc1nc(C)cc(C)c1CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001361283550 1066641417 /nfs/dbraw/zinc/64/14/17/1066641417.db2.gz BLMKSRVHLHOLGH-UHFFFAOYSA-N 0 0 453.583 4.590 20 0 JJADRN CCc1cc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c2c(CC(C)(C)C)noc2n1 ZINC001456606235 1066641430 /nfs/dbraw/zinc/64/14/30/1066641430.db2.gz LRLLLCHZGZFTRV-INIZCTEOSA-N 0 0 458.603 4.751 20 0 JJADRN CC[C@@H](CNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)Cc1cccc(Br)c1 ZINC001456607566 1066641451 /nfs/dbraw/zinc/64/14/51/1066641451.db2.gz RVMGLBRCCXANKG-JPYJTQIMSA-N 0 0 457.412 4.888 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445987339 1066641608 /nfs/dbraw/zinc/64/16/08/1066641608.db2.gz DNKHKIXHAMVLPJ-HNAYVOBHSA-N 0 0 453.421 4.970 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NCCc3cccc(O)c3)cs2)cc1 ZINC001445973514 1066641702 /nfs/dbraw/zinc/64/17/02/1066641702.db2.gz NNFMQWFUWWVMCE-UHFFFAOYSA-N 0 0 453.564 4.759 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)Cc1cccc(Br)c1 ZINC001456610157 1066642191 /nfs/dbraw/zinc/64/21/91/1066642191.db2.gz WJZNGTCWLGMXEK-ZUOKHONESA-N 0 0 451.311 4.605 20 0 JJADRN Cc1cc(C)c2c(n1)sc(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)c2-n1cccc1 ZINC001361284042 1066642257 /nfs/dbraw/zinc/64/22/57/1066642257.db2.gz JZKMLRXJERAYQT-UHFFFAOYSA-N 0 0 454.596 4.833 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)COC[C@H](C)c1ccccc1 ZINC001456610178 1066642306 /nfs/dbraw/zinc/64/23/06/1066642306.db2.gz RBFCBPSSKMNNNZ-FTBPSBKWSA-N 0 0 452.595 4.845 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)Cc1cccc(Br)c1 ZINC001456610148 1066642324 /nfs/dbraw/zinc/64/23/24/1066642324.db2.gz WJZNGTCWLGMXEK-RBZFPXEDSA-N 0 0 451.311 4.605 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)c(F)c1 ZINC001361284164 1066642428 /nfs/dbraw/zinc/64/24/28/1066642428.db2.gz ANGHYEIQDRHBRF-UGKGYDQZSA-N 0 0 487.620 4.565 20 0 JJADRN O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001445996058 1066642485 /nfs/dbraw/zinc/64/24/85/1066642485.db2.gz DKARXOCXWSKZGT-UHFFFAOYSA-N 0 0 452.551 4.753 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001445992727 1066642601 /nfs/dbraw/zinc/64/26/01/1066642601.db2.gz VVAPIKGMCUDTNZ-JENIJYKNSA-N 0 0 453.421 4.970 20 0 JJADRN C[C@@H](CC(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(Br)c1 ZINC001456611740 1066642897 /nfs/dbraw/zinc/64/28/97/1066642897.db2.gz WXXKXYUSTHSALN-LSDHHAIUSA-N 0 0 457.384 4.845 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ncccc3F)CC2)c(C)c1 ZINC001361284909 1066642992 /nfs/dbraw/zinc/64/29/92/1066642992.db2.gz LTOLKMPINWFAEG-UHFFFAOYSA-N 0 0 450.606 4.783 20 0 JJADRN CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001445996322 1066643059 /nfs/dbraw/zinc/64/30/59/1066643059.db2.gz KMFCEMCPKSAVBV-QGZVFWFLSA-N 0 0 456.539 4.734 20 0 JJADRN CCc1ccc([C@@H](C)CC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001445996535 1066643231 /nfs/dbraw/zinc/64/32/31/1066643231.db2.gz MVNJXAQUCDWTEV-SFHVURJKSA-N 0 0 454.567 4.999 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001445998687 1066643296 /nfs/dbraw/zinc/64/32/96/1066643296.db2.gz HIEPKGKJKQOYKU-QFIPXVFZSA-N 0 0 459.443 4.587 20 0 JJADRN C/C(=C/C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001456613588 1066644173 /nfs/dbraw/zinc/64/41/73/1066644173.db2.gz FQTCOAVAZWJFCB-RAXLEYEMSA-N 0 0 458.477 4.963 20 0 JJADRN CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)c2O1 ZINC001456614556 1066644235 /nfs/dbraw/zinc/64/42/35/1066644235.db2.gz VEGMQXHQADAMBE-IBGZPJMESA-N 0 0 456.340 4.541 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N[C@@H]3CCOC4(CCC4)C3)ccc2C)c(C)c1 ZINC001446001459 1066644183 /nfs/dbraw/zinc/64/41/83/1066644183.db2.gz PACNXQUORQHZGL-OAQYLSRUSA-N 0 0 456.608 4.553 20 0 JJADRN CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001446004497 1066644203 /nfs/dbraw/zinc/64/42/03/1066644203.db2.gz TYSYYKOQYKSEHU-SFHVURJKSA-N 0 0 452.576 4.957 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@]3(CCO[C@H]3C)C2)c(OCC(F)(F)F)c1 ZINC001361285883 1066644240 /nfs/dbraw/zinc/64/42/40/1066644240.db2.gz HBOGLVSFYBXLQO-UUOWRZLLSA-N 0 0 496.574 4.549 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N(CCC(F)(F)F)CC2CC2)c(N2CCOCC2)c1 ZINC001361285542 1066644329 /nfs/dbraw/zinc/64/43/29/1066644329.db2.gz BUOKNWLYTDYOOO-UHFFFAOYSA-N 0 0 479.591 4.839 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c(O[C@@H]2CCOC2)c1 ZINC001361285483 1066644350 /nfs/dbraw/zinc/64/43/50/1066644350.db2.gz AKPCZSFDVNURCT-DHIUTWEWSA-N 0 0 470.658 4.785 20 0 JJADRN O=C(N[C@H](C1CCCCC1)C(F)(F)F)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001361286655 1066644852 /nfs/dbraw/zinc/64/48/52/1066644852.db2.gz SPNIPXWDSDPWNY-MAUKXSAKSA-N 0 0 450.423 4.681 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)c(OCC(F)(F)F)c1 ZINC001361286323 1066645088 /nfs/dbraw/zinc/64/50/88/1066645088.db2.gz OZVMKDUUPHMYPL-QUCCMNQESA-N 0 0 466.548 4.637 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]2CCCc2ccccc2)cc(C(F)(F)F)c1 ZINC001446012781 1066645151 /nfs/dbraw/zinc/64/51/51/1066645151.db2.gz LOSTVUIXSUHZJV-HXUWFJFHSA-N 0 0 454.514 4.704 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC001456617612 1066645565 /nfs/dbraw/zinc/64/55/65/1066645565.db2.gz RVSMDHJJCBZERR-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)[C@@](C)(O)CCc3ccccc3)CC2)CC1 ZINC001456616485 1066645646 /nfs/dbraw/zinc/64/56/46/1066645646.db2.gz FLLYNUARUQUATK-CUNXSJBXSA-N 0 0 458.643 4.646 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)oc21 ZINC001446015732 1066645795 /nfs/dbraw/zinc/64/57/95/1066645795.db2.gz OZQKYYGBGSAMKG-HOTGVXAUSA-N 0 0 450.354 4.530 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)oc21 ZINC001446015739 1066645908 /nfs/dbraw/zinc/64/59/08/1066645908.db2.gz OZQKYYGBGSAMKG-HZPDHXFCSA-N 0 0 450.354 4.530 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)ccc1F ZINC001456618970 1066646212 /nfs/dbraw/zinc/64/62/12/1066646212.db2.gz XPGDPPPHXNKSAV-UHFFFAOYSA-N 0 0 450.479 4.767 20 0 JJADRN C[C@H]1CN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC[C@@H]1CNC(=O)OC(C)(C)C 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/nfs/dbraw/zinc/64/76/93/1066647693.db2.gz DACDJYUAUMGPLP-SNUWEPMUSA-N 0 0 480.605 4.565 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1CCSC(F)(F)F ZINC001492598481 1066647743 /nfs/dbraw/zinc/64/77/43/1066647743.db2.gz LRQBYDZBZYCNMV-UHFFFAOYSA-N 0 0 453.534 4.750 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492598469 1066647826 /nfs/dbraw/zinc/64/78/26/1066647826.db2.gz NISMWEPKFJWELP-QUCCMNQESA-N 0 0 481.666 4.918 20 0 JJADRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001446029137 1066647833 /nfs/dbraw/zinc/64/78/33/1066647833.db2.gz CXUIGRINJYYEAN-AHWVRZQESA-N 0 0 458.558 4.950 20 0 JJADRN CCCc1c(C(=O)NCCc2ccc(CC)cc2)nnn1Cc1cccc(Br)c1 ZINC001456622983 1066648532 /nfs/dbraw/zinc/64/85/32/1066648532.db2.gz DFPFRYBHPDRITB-UHFFFAOYSA-N 0 0 455.400 4.576 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001492598651 1066648525 /nfs/dbraw/zinc/64/85/25/1066648525.db2.gz ONKRXYIAHNKEFM-BGWNEDDSSA-N 0 0 470.658 4.835 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cccn2)CC1 ZINC001492599222 1066649857 /nfs/dbraw/zinc/64/98/57/1066649857.db2.gz VMGJVWITQOENAJ-OAQYLSRUSA-N 0 0 450.631 4.756 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456628105 1066650331 /nfs/dbraw/zinc/65/03/31/1066650331.db2.gz DYSRPAFRUNEPEG-GDBMZVCRSA-N 0 0 450.004 4.625 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001492599561 1066650541 /nfs/dbraw/zinc/65/05/41/1066650541.db2.gz YLYBBLKEZQBOOT-LEWJYISDSA-N 0 0 468.671 4.592 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1)n1nnc(-c2ccccc2)n1 ZINC001446039861 1066650585 /nfs/dbraw/zinc/65/05/85/1066650585.db2.gz YVJKAQUBRRZDAK-JWQCQUIFSA-N 0 0 455.562 4.842 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)CN(C)C(=O)c3ccc(Br)s3)cc2)c1 ZINC001456628259 1066650719 /nfs/dbraw/zinc/65/07/19/1066650719.db2.gz CCMHUNCCJWOFIP-UHFFFAOYSA-N 0 0 457.393 4.874 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC2(OC)CCC2)CCO1 ZINC001546083770 1066650823 /nfs/dbraw/zinc/65/08/23/1066650823.db2.gz SOOQPHNVPUZORJ-SQJMNOBHSA-N 0 0 456.631 4.999 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001492599192 1066651061 /nfs/dbraw/zinc/65/10/61/1066651061.db2.gz VDHMLPITCHERJH-FQEVSTJZSA-N 0 0 466.605 4.503 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cccn2)CC1 ZINC001492599220 1066651162 /nfs/dbraw/zinc/65/11/62/1066651162.db2.gz VMGJVWITQOENAJ-NRFANRHFSA-N 0 0 450.631 4.756 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001492599707 1066651256 /nfs/dbraw/zinc/65/12/56/1066651256.db2.gz CBUGEXMDSLFCHZ-UHFFFAOYSA-N 0 0 465.564 4.644 20 0 JJADRN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2csc(I)n2)cc1 ZINC001456630770 1066651436 /nfs/dbraw/zinc/65/14/36/1066651436.db2.gz HHLNQWNPJXFWOU-UHFFFAOYSA-N 0 0 452.321 4.618 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)C1CC1 ZINC001492599997 1066651973 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XGOINSCIMWTSFG-SFHVURJKSA-N 0 0 454.530 4.573 20 0 JJADRN C[C@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1nc(-c2ccc(Br)cc2)no1 ZINC001446054200 1066652700 /nfs/dbraw/zinc/65/27/00/1066652700.db2.gz ZSCLMHBJSUGFIN-ZDUSSCGKSA-N 0 0 453.296 4.569 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492600372 1066653229 /nfs/dbraw/zinc/65/32/29/1066653229.db2.gz LVQMQNOPRVPAEZ-FQEVSTJZSA-N 0 0 469.630 4.626 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C1 ZINC001446060109 1066653424 /nfs/dbraw/zinc/65/34/24/1066653424.db2.gz COGNMXUXNTXPMN-LSDHHAIUSA-N 0 0 453.505 4.963 20 0 JJADRN C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456636301 1066653560 /nfs/dbraw/zinc/65/35/60/1066653560.db2.gz DQMYMTSTMVKZGS-CRAIPNDOSA-N 0 0 468.579 4.500 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC001446066576 1066653963 /nfs/dbraw/zinc/65/39/63/1066653963.db2.gz JUGFNVRDUPAXMI-AEFFLSMTSA-N 0 0 456.587 4.622 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2([S@@](C)=O)CC2)CCO1 ZINC001546084013 1066654112 /nfs/dbraw/zinc/65/41/12/1066654112.db2.gz WTTYIAWJAYVKFI-JQACATHRSA-N 0 0 495.089 4.605 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c(Cl)c1 ZINC001456637331 1066654170 /nfs/dbraw/zinc/65/41/70/1066654170.db2.gz DILPZAGPFNHOEG-UHFFFAOYSA-N 0 0 459.852 4.953 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492600796 1066654468 /nfs/dbraw/zinc/65/44/68/1066654468.db2.gz SSKJDIMCYZKAMI-UHFFFAOYSA-N 0 0 450.612 4.899 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc[nH]2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001492600701 1066654507 /nfs/dbraw/zinc/65/45/07/1066654507.db2.gz QRNCCXMULWGNHE-UHFFFAOYSA-N 0 0 473.625 4.817 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001446068132 1066654769 /nfs/dbraw/zinc/65/47/69/1066654769.db2.gz MWIFQDGETMBBJZ-ROUUACIJSA-N 0 0 451.007 4.540 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001546084031 1066654708 /nfs/dbraw/zinc/65/47/08/1066654708.db2.gz WXQYGCBCSUUPNN-CUNXSJBXSA-N 0 0 497.684 4.689 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCCC1(C)C ZINC001492600985 1066655075 /nfs/dbraw/zinc/65/50/75/1066655075.db2.gz WSHCOEFOVJWCSB-HXUWFJFHSA-N 0 0 488.430 4.674 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(C)C ZINC001492601005 1066655095 /nfs/dbraw/zinc/65/50/95/1066655095.db2.gz XFAJWDPDTMFZRN-UHFFFAOYSA-N 0 0 498.697 4.744 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492601120 1066655109 /nfs/dbraw/zinc/65/51/09/1066655109.db2.gz XKTOYMKLOGOWLM-KRWDZBQOSA-N 0 0 488.430 4.817 20 0 JJADRN Cc1ccccc1OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C)CC1 ZINC001492601102 1066655116 /nfs/dbraw/zinc/65/51/16/1066655116.db2.gz WRPDNDFUVZWFOO-UHFFFAOYSA-N 0 0 467.639 4.674 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001492601176 1066655135 /nfs/dbraw/zinc/65/51/35/1066655135.db2.gz XXRBULHXUCXHJK-UHFFFAOYSA-N 0 0 481.685 4.873 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001446071753 1066655399 /nfs/dbraw/zinc/65/53/99/1066655399.db2.gz PWWOJAPTAJJGKD-HZPDHXFCSA-N 0 0 451.995 4.700 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)ccc1OCCO ZINC001446076421 1066655438 /nfs/dbraw/zinc/65/54/38/1066655438.db2.gz VYZQVAPYJLXIJW-MZNJEOGPSA-N 0 0 455.551 4.916 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC001446076455 1066655468 /nfs/dbraw/zinc/65/54/68/1066655468.db2.gz TYTOQBJDJNDGJN-HOTGVXAUSA-N 0 0 453.421 4.879 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC001446076453 1066655476 /nfs/dbraw/zinc/65/54/76/1066655476.db2.gz TYTOQBJDJNDGJN-CVEARBPZSA-N 0 0 453.421 4.879 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C2CCCCC2)CCO1 ZINC001546084066 1066656046 /nfs/dbraw/zinc/65/60/46/1066656046.db2.gz XGGKFBRMZZHUGN-SKCUWOTOSA-N 0 0 497.684 4.831 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)c(Cl)c1 ZINC001456644224 1066656136 /nfs/dbraw/zinc/65/61/36/1066656136.db2.gz AIBSPSHTRCNJFO-UHFFFAOYSA-N 0 0 453.004 4.831 20 0 JJADRN Cc1ccccc1OCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001492601686 1066656407 /nfs/dbraw/zinc/65/64/07/1066656407.db2.gz GVUJCFUGPXOSNU-FQEVSTJZSA-N 0 0 462.598 4.718 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](CCCO)c1ccccc1 ZINC001446080159 1066656730 /nfs/dbraw/zinc/65/67/30/1066656730.db2.gz PBYQWQSDWNNLKK-NRFANRHFSA-N 0 0 456.384 4.554 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc3sc(Br)cc3s2)ccc1OCCO ZINC001446081061 1066656759 /nfs/dbraw/zinc/65/67/59/1066656759.db2.gz ZWBNRCNNOSQEAZ-JTQLQIEISA-N 0 0 456.383 4.596 20 0 JJADRN CCC[C@H](C)N(C(=O)Cc1ccccc1N1CCCC1=O)c1nc(C)c(C(=O)OCC)s1 ZINC001456645189 1066656777 /nfs/dbraw/zinc/65/67/77/1066656777.db2.gz WPUOJEJMWMEMKS-INIZCTEOSA-N 0 0 457.596 4.519 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001492601959 1066657102 /nfs/dbraw/zinc/65/71/02/1066657102.db2.gz LUIMDROTEYAIRD-JYFHCDHNSA-N 0 0 463.626 4.539 20 0 JJADRN Cc1ccccc1OCCn1c(C2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492602013 1066657106 /nfs/dbraw/zinc/65/71/06/1066657106.db2.gz JMGTUTSJAUVRMM-IBGZPJMESA-N 0 0 452.521 4.871 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1Cc1ccccc1 ZINC001456647145 1066657343 /nfs/dbraw/zinc/65/73/43/1066657343.db2.gz IPEYJAPAZMDHAM-DEOSSOPVSA-N 0 0 458.558 4.603 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)ccn1 ZINC001456647594 1066657367 /nfs/dbraw/zinc/65/73/67/1066657367.db2.gz PJOHDDYBHVLGTQ-MRXNPFEDSA-N 0 0 454.521 4.778 20 0 JJADRN COC(=O)c1ccn(CCCC(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)n1 ZINC001456647851 1066657458 /nfs/dbraw/zinc/65/74/58/1066657458.db2.gz RAEALKFXZZFZHK-UHFFFAOYSA-N 0 0 452.599 4.806 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001456647444 1066657466 /nfs/dbraw/zinc/65/74/66/1066657466.db2.gz JFZUZVDUFQUNBU-XMMPIXPASA-N 0 0 457.640 4.579 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001492602150 1066657627 /nfs/dbraw/zinc/65/76/27/1066657627.db2.gz OHYIGJHSEITDIN-ATIYNZHBSA-N 0 0 463.626 4.539 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]1C ZINC001492602118 1066657663 /nfs/dbraw/zinc/65/76/63/1066657663.db2.gz NKXVXZIJKGCLBI-VSKRKVRLSA-N 0 0 483.657 4.872 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(OCCC(C)C)c2)s1 ZINC001456649464 1066658035 /nfs/dbraw/zinc/65/80/35/1066658035.db2.gz MNFHKZFZKPDSEC-IBGZPJMESA-N 0 0 450.626 4.582 20 0 JJADRN Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001492602499 1066658392 /nfs/dbraw/zinc/65/83/92/1066658392.db2.gz SIZXQTFEYYYLTD-HXUWFJFHSA-N 0 0 496.681 4.768 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492602419 1066658420 /nfs/dbraw/zinc/65/84/20/1066658420.db2.gz OSBJZOHKZXDOSM-QHCPKHFHSA-N 0 0 499.656 4.648 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC001456651847 1066658708 /nfs/dbraw/zinc/65/87/08/1066658708.db2.gz WVFIFLCASZRYRZ-ROKPMTFOSA-N 0 0 451.611 4.511 20 0 JJADRN Cc1c(NC(=O)c2cccc(OCc3cccs3)c2)cccc1S(=O)(=O)NC(C)(C)C ZINC001456651705 1066658780 /nfs/dbraw/zinc/65/87/80/1066658780.db2.gz WQWJFQOGDZNLMB-UHFFFAOYSA-N 0 0 458.605 4.965 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001492602690 1066659003 /nfs/dbraw/zinc/65/90/03/1066659003.db2.gz WFKOOHMTVXLQPL-UHFFFAOYSA-N 0 0 476.669 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001456653760 1066659354 /nfs/dbraw/zinc/65/93/54/1066659354.db2.gz FFRKMEIUIZIVFH-CVEARBPZSA-N 0 0 465.472 4.689 20 0 JJADRN Cc1cnn(Cc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)c(C)s3)no2)c1 ZINC001446098224 1066659465 /nfs/dbraw/zinc/65/94/65/1066659465.db2.gz OLFUKDBQSXDBPL-UHFFFAOYSA-N 0 0 458.341 4.675 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC001446095549 1066659493 /nfs/dbraw/zinc/65/94/93/1066659493.db2.gz JLXHGQSHPKXBPG-MRXNPFEDSA-N 0 0 452.020 4.620 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)C/C=C\c3ccc(Br)cc3)C2)c1 ZINC001446097648 1066659524 /nfs/dbraw/zinc/65/95/24/1066659524.db2.gz HCJNBIMLTQGXJZ-DDKKJVIOSA-N 0 0 459.384 4.512 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C/C=C\c3ccc(Br)cc3)C2)c1 ZINC001446097655 1066659604 /nfs/dbraw/zinc/65/96/04/1066659604.db2.gz HCJNBIMLTQGXJZ-JXCVUKRWSA-N 0 0 459.384 4.512 20 0 JJADRN Cc1cccnc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001492603721 1066660049 /nfs/dbraw/zinc/66/00/49/1066660049.db2.gz VPSMLIPQQXWSKH-VQTJNVASSA-N 0 0 497.043 4.532 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001446101261 1066660041 /nfs/dbraw/zinc/66/00/41/1066660041.db2.gz BTTWFWCGCYDQME-SFHVURJKSA-N 0 0 453.587 4.549 20 0 JJADRN O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001456657926 1066660708 /nfs/dbraw/zinc/66/07/08/1066660708.db2.gz HUSLOBUONLFQAR-IBGZPJMESA-N 0 0 456.970 4.665 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001492604563 1066660777 /nfs/dbraw/zinc/66/07/77/1066660777.db2.gz WWXFZLILUCAKBO-GIVPXCGWSA-N 0 0 469.630 4.972 20 0 JJADRN Cc1ccccc1OCCn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C ZINC001492604537 1066660795 /nfs/dbraw/zinc/66/07/95/1066660795.db2.gz WDUXSMJMWYYLMR-SFTDATJTSA-N 0 0 483.657 4.799 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)n2)ccc1F ZINC001446103631 1066660857 /nfs/dbraw/zinc/66/08/57/1066660857.db2.gz DPALBNSIZDFHKE-MRXNPFEDSA-N 0 0 459.481 4.631 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCc3ccc(F)c(F)c3C2)[C@H]1c1ccccc1OC ZINC001446107757 1066660901 /nfs/dbraw/zinc/66/09/01/1066660901.db2.gz DTKCKXFLNZVHKX-UQBPGWFLSA-N 0 0 456.533 4.638 20 0 JJADRN Cc1ccccc1OCCn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492604481 1066660842 /nfs/dbraw/zinc/66/08/42/1066660842.db2.gz UIUIDRNUDLVXJM-UHFFFAOYSA-N 0 0 471.646 4.700 20 0 JJADRN Cc1ccccc1OCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001492604144 1066660933 /nfs/dbraw/zinc/66/09/33/1066660933.db2.gz IATQPQXRSLMHRR-UHFFFAOYSA-N 0 0 497.665 4.623 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1S(=O)(=O)NC(C)(C)C ZINC001456659061 1066661244 /nfs/dbraw/zinc/66/12/44/1066661244.db2.gz BQKZUBAYLWSSHX-UHFFFAOYSA-N 0 0 450.429 4.621 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492604980 1066661992 /nfs/dbraw/zinc/66/19/92/1066661992.db2.gz LWLXKSBLWMDMBU-GOSISDBHSA-N 0 0 483.016 4.796 20 0 JJADRN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001446112612 1066662176 /nfs/dbraw/zinc/66/21/76/1066662176.db2.gz VCKFXFYNWBANCA-VRMLFSPKSA-N 0 0 454.517 4.878 20 0 JJADRN Cc1cc(C2(C(=O)NCc3cccc(-n4cncn4)c3)CCCCC2)ccc1Br ZINC001456661074 1066662038 /nfs/dbraw/zinc/66/20/38/1066662038.db2.gz KXLMCZUVGLGLDI-UHFFFAOYSA-N 0 0 453.384 4.857 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(COC2CCCC2)cc1 ZINC001456664929 1066662522 /nfs/dbraw/zinc/66/25/22/1066662522.db2.gz VKULNDFHWKKTQF-UHFFFAOYSA-N 0 0 456.608 4.502 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492605311 1066662534 /nfs/dbraw/zinc/66/25/34/1066662534.db2.gz YIBRVTIUNRKZSG-GOSISDBHSA-N 0 0 483.016 4.844 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N(c1cccc(F)c1)C1CCOCC1 ZINC001456665845 1066663299 /nfs/dbraw/zinc/66/32/99/1066663299.db2.gz DPOUWIPMDXBUDE-UHFFFAOYSA-N 0 0 458.125 4.572 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC001446131140 1066663450 /nfs/dbraw/zinc/66/34/50/1066663450.db2.gz ZSXXJBRCOYVEHI-OAHLLOKOSA-N 0 0 454.539 4.953 20 0 JJADRN COCCOc1ccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cc1Br ZINC001456672023 1066663719 /nfs/dbraw/zinc/66/37/19/1066663719.db2.gz OOUUWFFJQGOVBY-UHFFFAOYSA-N 0 0 450.720 4.770 20 0 JJADRN Cc1cccnc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492606549 1066664417 /nfs/dbraw/zinc/66/44/17/1066664417.db2.gz KNFLDMNTZALAPM-IRLDBZIGSA-N 0 0 482.673 4.892 20 0 JJADRN Cc1noc(C)c1[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC001456683059 1066665052 /nfs/dbraw/zinc/66/50/52/1066665052.db2.gz DJZFWPBGNKFTAB-LBPRGKRZSA-N 0 0 457.943 4.755 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCCCO)CC2)c1 ZINC001492607048 1066665186 /nfs/dbraw/zinc/66/51/86/1066665186.db2.gz BWBSHPAXXKDKSZ-UHFFFAOYSA-N 0 0 473.980 4.651 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1)C1CCCCCC1 ZINC001446143549 1066665093 /nfs/dbraw/zinc/66/50/93/1066665093.db2.gz LUTQPBIEGHTTOC-MXVIHJGJSA-N 0 0 459.635 4.523 20 0 JJADRN CCN(C(=O)c1ccsc1Br)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001456684799 1066665792 /nfs/dbraw/zinc/66/57/92/1066665792.db2.gz GWVMYPKNMPWSQY-UHFFFAOYSA-N 0 0 451.434 4.864 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(N2CCC(Oc3cc(C)ccn3)CC2)nnc1C(C)(C)C ZINC001492607074 1066665904 /nfs/dbraw/zinc/66/59/04/1066665904.db2.gz CXPHAJUROXLNKT-KRWDZBQOSA-N 0 0 452.603 4.735 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492607107 1066665980 /nfs/dbraw/zinc/66/59/80/1066665980.db2.gz FMBNHBSWRKQNCF-CTNGQTDRSA-N 0 0 468.646 4.974 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1Br ZINC001456687854 1066666397 /nfs/dbraw/zinc/66/63/97/1066666397.db2.gz AGYDNIJKBVTHRA-KRWDZBQOSA-N 0 0 459.203 4.705 20 0 JJADRN CN(CCC(=O)OC(C)(C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001446147581 1066666629 /nfs/dbraw/zinc/66/66/29/1066666629.db2.gz IHTMWQQOSBNGCQ-UHFFFAOYSA-N 0 0 453.970 4.925 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001492607642 1066667277 /nfs/dbraw/zinc/66/72/77/1066667277.db2.gz CCZINFBLOFKOML-SFHVURJKSA-N 0 0 452.603 4.636 20 0 JJADRN O=C(NCc1ccccc1OCC1CC1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001456688694 1066667443 /nfs/dbraw/zinc/66/74/43/1066667443.db2.gz QQDAQMQUACURQO-UHFFFAOYSA-N 0 0 450.848 4.658 20 0 JJADRN COc1cc(CCNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1C ZINC001456689514 1066667475 /nfs/dbraw/zinc/66/74/75/1066667475.db2.gz HWWZRJFWXIDUJN-QHCPKHFHSA-N 0 0 450.966 4.877 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](CC(=O)N(C)C)c4cc(Cl)ccc43)cc2F)n1 ZINC001456689925 1066667480 /nfs/dbraw/zinc/66/74/80/1066667480.db2.gz IQFAQEHPLFMZBC-QGZVFWFLSA-N 0 0 454.933 4.504 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCC[C@@H]3CC)c2)cc1 ZINC001446162223 1066667423 /nfs/dbraw/zinc/66/74/23/1066667423.db2.gz VGTFSBQWVSATOJ-BTYIYWSLSA-N 0 0 450.988 4.848 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)CC2)c1 ZINC001492607841 1066667837 /nfs/dbraw/zinc/66/78/37/1066667837.db2.gz GQBKBASKBSOHTC-UHFFFAOYSA-N 0 0 493.652 4.677 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)CC1 ZINC001456691916 1066668121 /nfs/dbraw/zinc/66/81/21/1066668121.db2.gz VWZKWVOIZRVZBS-QHCPKHFHSA-N 0 0 458.002 4.728 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCC[C@@H]3CC)c2)cc1 ZINC001446162238 1066668195 /nfs/dbraw/zinc/66/81/95/1066668195.db2.gz VGTFSBQWVSATOJ-YCRPNKLZSA-N 0 0 450.988 4.848 20 0 JJADRN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)Cc2cccs2)C1 ZINC001492607963 1066668561 /nfs/dbraw/zinc/66/85/61/1066668561.db2.gz LUBGHFQPGJIZDN-SFHVURJKSA-N 0 0 470.042 4.958 20 0 JJADRN CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)c2ccc(-c3ccco3)s2)c1 ZINC001456696030 1066668705 /nfs/dbraw/zinc/66/87/05/1066668705.db2.gz BSBAHUBFJXRKRJ-UHFFFAOYSA-N 0 0 454.529 4.529 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC001456696081 1066668711 /nfs/dbraw/zinc/66/87/11/1066668711.db2.gz CADIFXZXPXUVLA-BWKNWUBXSA-N 0 0 454.636 4.781 20 0 JJADRN 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ZINC001456740437 1066678824 /nfs/dbraw/zinc/67/88/24/1066678824.db2.gz VWXHORBCKXXLAR-QFUCXCTJSA-N 0 0 457.571 4.706 20 0 JJADRN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001456738779 1066678881 /nfs/dbraw/zinc/67/88/81/1066678881.db2.gz CWXQXXORTPLPEH-RTWAWAEBSA-N 0 0 459.359 4.777 20 0 JJADRN COc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc(Cl)c1OCCC(C)C ZINC001456743773 1066679695 /nfs/dbraw/zinc/67/96/95/1066679695.db2.gz GTUJFOSKVJDZOA-GOSISDBHSA-N 0 0 454.995 4.807 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001492615340 1066680339 /nfs/dbraw/zinc/68/03/39/1066680339.db2.gz JMJHLUNWOGWYRV-OALUTQOASA-N 0 0 497.587 4.645 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCO[C@@H]2CCOC2)CC1 ZINC001492615256 1066680563 /nfs/dbraw/zinc/68/05/63/1066680563.db2.gz GPYLCWQNHNTRQX-QGZVFWFLSA-N 0 0 481.822 4.713 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1 ZINC001456749423 1066680632 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0 0 477.403 4.972 20 0 JJADRN CCC(CC)(CO)CNC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001446272519 1066683178 /nfs/dbraw/zinc/68/31/78/1066683178.db2.gz AMODDVGYVKXFMT-UHFFFAOYSA-N 0 0 450.373 4.565 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001456764014 1066683225 /nfs/dbraw/zinc/68/32/25/1066683225.db2.gz VWHRJVSSJRLOKE-UHFFFAOYSA-N 0 0 455.736 4.961 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001492616263 1066683789 /nfs/dbraw/zinc/68/37/89/1066683789.db2.gz RKWLPMFZIFLJME-UHFFFAOYSA-N 0 0 453.631 4.689 20 0 JJADRN COc1cccc(COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1OC(F)F ZINC001456768136 1066683923 /nfs/dbraw/zinc/68/39/23/1066683923.db2.gz DUPZMJQCDHEGAX-UHFFFAOYSA-N 0 0 455.461 4.785 20 0 JJADRN CCC(CC)(CO)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001446279385 1066684557 /nfs/dbraw/zinc/68/45/57/1066684557.db2.gz ZGPJTPQIGJCUKC-UHFFFAOYSA-N 0 0 453.839 4.708 20 0 JJADRN COc1ccc(C(=O)NCCCC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)cc1 ZINC001456769065 1066684593 /nfs/dbraw/zinc/68/45/93/1066684593.db2.gz HRSJGLVSWGYEHP-UHFFFAOYSA-N 0 0 458.518 4.598 20 0 JJADRN CC(C)(C)c1csc(-c2cccc(OC(=O)c3nc4ncc(Br)cn4n3)c2)n1 ZINC001456768411 1066684631 /nfs/dbraw/zinc/68/46/31/1066684631.db2.gz SKLQLRDPKWHFOY-UHFFFAOYSA-N 0 0 458.341 4.527 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2cc(Br)cnc2C2CC2)c1 ZINC001456770883 1066685273 /nfs/dbraw/zinc/68/52/73/1066685273.db2.gz YXADOTKAUIZPFA-UHFFFAOYSA-N 0 0 454.324 4.847 20 0 JJADRN CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(Cl)cc2F)CC1 ZINC001492617739 1066685288 /nfs/dbraw/zinc/68/52/88/1066685288.db2.gz NRCVNUNLWIBQMK-HXUWFJFHSA-N 0 0 491.995 4.584 20 0 JJADRN COc1cccc(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1OC(F)F ZINC001456771607 1066686250 /nfs/dbraw/zinc/68/62/50/1066686250.db2.gz WKGRHRBSNARDKX-QGZVFWFLSA-N 0 0 451.466 4.648 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC001456771478 1066686319 /nfs/dbraw/zinc/68/63/19/1066686319.db2.gz RLALJDOLKGPEJF-HXUWFJFHSA-N 0 0 455.580 4.760 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccsc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001492619085 1066686577 /nfs/dbraw/zinc/68/65/77/1066686577.db2.gz IKSYERJHLHFMOA-UHFFFAOYSA-N 0 0 455.628 4.654 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C)CC3)n2CCNc2nccc(C(F)(F)F)n2)c1 ZINC001492619292 1066686602 /nfs/dbraw/zinc/68/66/02/1066686602.db2.gz PGRFWEMBJORMRN-UHFFFAOYSA-N 0 0 487.530 4.551 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001446292427 1066686766 /nfs/dbraw/zinc/68/67/66/1066686766.db2.gz PWEMBJKCQPRFLZ-LAPGPAHHSA-N 0 0 469.395 4.695 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001446294121 1066686847 /nfs/dbraw/zinc/68/68/47/1066686847.db2.gz DCKSOXMKCXUXKA-GJZGRUSLSA-N 0 0 457.384 4.673 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001446295559 1066686866 /nfs/dbraw/zinc/68/68/66/1066686866.db2.gz GIWPXGLRYFCVJX-GLJUWKHASA-N 0 0 457.384 4.671 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1 ZINC001446294669 1066686870 /nfs/dbraw/zinc/68/68/70/1066686870.db2.gz UZDTWYQQJAHLIA-QHCPKHFHSA-N 0 0 452.599 4.653 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446295232 1066686914 /nfs/dbraw/zinc/68/69/14/1066686914.db2.gz VPMXILYHGQMZLC-UHFFFAOYSA-N 0 0 455.400 4.804 20 0 JJADRN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC001456773174 1066687018 /nfs/dbraw/zinc/68/70/18/1066687018.db2.gz UBBJSPJEVJVANK-QGZVFWFLSA-N 0 0 459.587 4.867 20 0 JJADRN CC1=CCN(c2nnc(COc3ccccc3F)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001492619640 1066687261 /nfs/dbraw/zinc/68/72/61/1066687261.db2.gz DHSKRYBXNYYJBK-UHFFFAOYSA-N 0 0 477.462 4.645 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001492619583 1066687333 /nfs/dbraw/zinc/68/73/33/1066687333.db2.gz BDDBBRUDWBRKSL-DEOSSOPVSA-N 0 0 468.642 4.897 20 0 JJADRN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)NC(=O)OC(C)(C)C ZINC001545984005 1066687708 /nfs/dbraw/zinc/68/77/08/1066687708.db2.gz BBEXSDFMITYGKX-LJQANCHMSA-N 0 0 492.068 4.930 20 0 JJADRN Cc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)C2CC2)cc1C ZINC001456775887 1066688041 /nfs/dbraw/zinc/68/80/41/1066688041.db2.gz GZFMNLOIGPRVOX-OALUTQOASA-N 0 0 454.636 4.775 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001456777484 1066688471 /nfs/dbraw/zinc/68/84/71/1066688471.db2.gz OTRKJTMOOMJZMG-UHFFFAOYSA-N 0 0 455.633 4.773 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001492619957 1066688729 /nfs/dbraw/zinc/68/87/29/1066688729.db2.gz PTGMCZLBBGYTPH-ACRUOGEOSA-N 0 0 459.635 4.712 20 0 JJADRN Cc1cccc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)c1 ZINC001492620063 1066689310 /nfs/dbraw/zinc/68/93/10/1066689310.db2.gz UXRKSNKZQLQRFX-SZPZYZBQSA-N 0 0 451.615 4.756 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(Cl)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492620046 1066689329 /nfs/dbraw/zinc/68/93/29/1066689329.db2.gz UFIGQRGXXRJSPI-DEOSSOPVSA-N 0 0 456.974 4.784 20 0 JJADRN COC(=O)CCCc1nnc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)s1 ZINC001456782808 1066689423 /nfs/dbraw/zinc/68/94/23/1066689423.db2.gz HYBIWAKMUBAQQU-UHFFFAOYSA-N 0 0 457.364 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N(Cc2ccco2)Cc2cccnc2)co1 ZINC001446313902 1066689612 /nfs/dbraw/zinc/68/96/12/1066689612.db2.gz BXOWIHCNIBQUHO-FQEVSTJZSA-N 0 0 452.511 4.577 20 0 JJADRN CCOC(=O)c1n[nH]c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1C1CC1 ZINC001456786722 1066690020 /nfs/dbraw/zinc/69/00/20/1066690020.db2.gz RBZBUAWDTPQGKJ-UHFFFAOYSA-N 0 0 452.559 4.648 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1CC1 ZINC001456784978 1066690093 /nfs/dbraw/zinc/69/00/93/1066690093.db2.gz KERONUZOJQEKCL-VQTJNVASSA-N 0 0 458.599 4.883 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC001446326668 1066691196 /nfs/dbraw/zinc/69/11/96/1066691196.db2.gz VUMHMWIVVHKUEY-JOCHJYFZSA-N 0 0 459.512 4.540 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)c1 ZINC001492620721 1066691537 /nfs/dbraw/zinc/69/15/37/1066691537.db2.gz KLLRGLHGMYLOHW-QGZVFWFLSA-N 0 0 460.985 4.794 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(C)c(OC)c2)CCO1 ZINC001546084997 1066691926 /nfs/dbraw/zinc/69/19/26/1066691926.db2.gz CFQOEWRKWNVHRH-HSZRJFAPSA-N 0 0 488.430 4.601 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(C4CCCC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492621329 1066691941 /nfs/dbraw/zinc/69/19/41/1066691941.db2.gz XBHDVUWJAPFQIP-VXKWHMMOSA-N 0 0 485.677 4.831 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C4CCCC4)n3C[C@H](NC(=O)OC(C)(C)C)C(C)C)C2)c1 ZINC001492621330 1066691993 /nfs/dbraw/zinc/69/19/93/1066691993.db2.gz XBHDVUWJAPFQIP-YADHBBJMSA-N 0 0 485.677 4.831 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCCOC(C)C)C2)c1 ZINC001492621354 1066692020 /nfs/dbraw/zinc/69/20/20/1066692020.db2.gz XLYBSGFXXZUWOP-IRLDBZIGSA-N 0 0 470.593 4.719 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3cc(Br)cs3)CC2)c1 ZINC001492621581 1066692065 /nfs/dbraw/zinc/69/20/65/1066692065.db2.gz CCTPLCDXWBVLQC-UHFFFAOYSA-N 0 0 463.449 4.695 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546084961 1066692063 /nfs/dbraw/zinc/69/20/63/1066692063.db2.gz BCBFSEDLTNKAKP-LERMDLETSA-N 0 0 495.437 4.913 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001456794155 1066692120 /nfs/dbraw/zinc/69/21/20/1066692120.db2.gz SRMMQXJVGWFGTM-UHFFFAOYSA-N 0 0 459.575 4.562 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)/C=C\c3cc(C)c(C)cc3C)CC2)c(Cl)c1 ZINC001456795169 1066692195 /nfs/dbraw/zinc/69/21/95/1066692195.db2.gz BLEJBCXSRKEAKJ-RVFJIUOTSA-N 0 0 454.998 4.725 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)C1 ZINC001456798411 1066692762 /nfs/dbraw/zinc/69/27/62/1066692762.db2.gz HJLIQYSRRUUFOC-JTSKRJEESA-N 0 0 454.542 4.825 20 0 JJADRN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(Br)cn2)cc1 ZINC001456797204 1066692995 /nfs/dbraw/zinc/69/29/95/1066692995.db2.gz XPSWVFOSFOVYFE-UHFFFAOYSA-N 0 0 453.296 4.616 20 0 JJADRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001456796174 1066693075 /nfs/dbraw/zinc/69/30/75/1066693075.db2.gz WOLHIJPRIODUAQ-QHCPKHFHSA-N 0 0 450.901 4.839 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)C3CCCCC3)CC2)c1 ZINC001492622172 1066693318 /nfs/dbraw/zinc/69/33/18/1066693318.db2.gz IHJLMGLVIOZLJM-SANMLTNESA-N 0 0 456.679 4.620 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCC3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC001492622168 1066693437 /nfs/dbraw/zinc/69/34/37/1066693437.db2.gz LLTYJFDLQXUMPB-UHFFFAOYSA-N 0 0 495.638 4.662 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccc(Br)cc4)n3CC(C)C)CC2)c1 ZINC001492622101 1066693491 /nfs/dbraw/zinc/69/34/91/1066693491.db2.gz KPNBTUPANQQJOL-UHFFFAOYSA-N 0 0 457.420 4.785 20 0 JJADRN CC(C)(C)NC(=O)N1CCC(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001446342650 1066693410 /nfs/dbraw/zinc/69/34/10/1066693410.db2.gz YGBKVTMZYIVWIM-UHFFFAOYSA-N 0 0 454.518 4.531 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3C[C@@](C)(O)CCC(C)C)C2)c1 ZINC001492622651 1066694246 /nfs/dbraw/zinc/69/42/46/1066694246.db2.gz QLLMFEMCZNDZOS-SQHAQQRYSA-N 0 0 464.658 4.711 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 ZINC001446345708 1066694367 /nfs/dbraw/zinc/69/43/67/1066694367.db2.gz XPDBYGRHSKXLTL-UHFFFAOYSA-N 0 0 454.448 4.826 20 0 JJADRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001456802127 1066694436 /nfs/dbraw/zinc/69/44/36/1066694436.db2.gz ODYQXHQUVVQYIM-FQEVSTJZSA-N 0 0 450.417 4.743 20 0 JJADRN O=C(Nc1cc(C(=O)OCc2ccccc2)n[nH]1)c1cc2ccc(Br)cc2s1 ZINC001456802164 1066694472 /nfs/dbraw/zinc/69/44/72/1066694472.db2.gz XBJHKCNLQXMZIP-UHFFFAOYSA-N 0 0 456.321 4.996 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545984787 1066694974 /nfs/dbraw/zinc/69/49/74/1066694974.db2.gz PLDZJFPXHWLQSE-SFTDATJTSA-N 0 0 461.651 4.634 20 0 JJADRN CN(CC(=O)NCC1(c2ccc(Br)cc2)CCCC1)C(=O)OCc1ccccc1 ZINC001456804639 1066695748 /nfs/dbraw/zinc/69/57/48/1066695748.db2.gz SEPFXRITFSHTRL-UHFFFAOYSA-N 0 0 459.384 4.646 20 0 JJADRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001456804581 1066695764 /nfs/dbraw/zinc/69/57/64/1066695764.db2.gz AZRMUGGRLFZYIK-YADARESESA-N 0 0 458.599 4.922 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1)c1cccs1 ZINC001456804728 1066695825 /nfs/dbraw/zinc/69/58/25/1066695825.db2.gz RXTZPSOYTRIFJR-SFHVURJKSA-N 0 0 453.951 4.579 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Br)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)c1 ZINC001492623343 1066696332 /nfs/dbraw/zinc/69/63/32/1066696332.db2.gz ALLAWOCOQRRELR-MRXNPFEDSA-N 0 0 457.420 4.785 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)NC[C@H](C)COc3ccccc3OC)ccc21 ZINC001446359547 1066696285 /nfs/dbraw/zinc/69/62/85/1066696285.db2.gz KXKWLNIEDWNNBL-IBGZPJMESA-N 0 0 459.546 4.547 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)c1 ZINC001492624409 1066696722 /nfs/dbraw/zinc/69/67/22/1066696722.db2.gz VJBLWWBOYLHJRN-VQTJNVASSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1cnn(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)c1 ZINC001492624408 1066696788 /nfs/dbraw/zinc/69/67/88/1066696788.db2.gz VJBLWWBOYLHJRN-UXHICEINSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001492624347 1066696811 /nfs/dbraw/zinc/69/68/11/1066696811.db2.gz SHDHIIBXAZMPSZ-JTDSTZFVSA-N 0 0 482.938 4.911 20 0 JJADRN CCOC(=O)c1cc2cc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccc2s1 ZINC001446365047 1066696980 /nfs/dbraw/zinc/69/69/80/1066696980.db2.gz VWFBLGYHNBGYOR-UHFFFAOYSA-N 0 0 451.331 4.753 20 0 JJADRN Cc1cnn(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(CCC(C)C)C2CC2)c1 ZINC001492626202 1066697527 /nfs/dbraw/zinc/69/75/27/1066697527.db2.gz IQDULILVAYAQPE-NRFANRHFSA-N 0 0 485.677 4.613 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1oc2c(ccc3ccccc23)c1C ZINC001456809357 1066697799 /nfs/dbraw/zinc/69/77/99/1066697799.db2.gz BVKIQDSMYPKTDF-UHFFFAOYSA-N 0 0 452.532 4.796 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456808963 1066697859 /nfs/dbraw/zinc/69/78/59/1066697859.db2.gz FJSZTFZCBBTTAD-FDDCHVKYSA-N 0 0 450.579 4.706 20 0 JJADRN CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)cc21 ZINC001446380006 1066699012 /nfs/dbraw/zinc/69/90/12/1066699012.db2.gz DTYHSZFFEHERSU-FQEVSTJZSA-N 0 0 457.456 4.598 20 0 JJADRN O=C(NCC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)CC1)c1ccccn1 ZINC001446382505 1066699023 /nfs/dbraw/zinc/69/90/23/1066699023.db2.gz KCNATZSPEYLLGS-UHFFFAOYSA-N 0 0 451.929 4.823 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC001456815106 1066699221 /nfs/dbraw/zinc/69/92/21/1066699221.db2.gz SEOHYBJSMIXJQM-INIZCTEOSA-N 0 0 453.764 4.829 20 0 JJADRN CCOc1nc2cc(C(=O)N[C@@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc2[nH]1 ZINC001446383391 1066699825 /nfs/dbraw/zinc/69/98/25/1066699825.db2.gz LXFXHDUICTWKDW-FQEVSTJZSA-N 0 0 457.456 4.798 20 0 JJADRN CCOc1nc2cc(C(=O)N[C@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc2[nH]1 ZINC001446383470 1066699979 /nfs/dbraw/zinc/69/99/79/1066699979.db2.gz LXFXHDUICTWKDW-HXUWFJFHSA-N 0 0 457.456 4.798 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1)CCC2 ZINC001492628554 1066700097 /nfs/dbraw/zinc/70/00/97/1066700097.db2.gz HHTFTLPTVZZMHP-IBGZPJMESA-N 0 0 454.594 4.604 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)CCC2 ZINC001492628812 1066700236 /nfs/dbraw/zinc/70/02/36/1066700236.db2.gz NNGOELOACGCBND-MSOLQXFVSA-N 0 0 493.603 4.524 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1Br ZINC001446387115 1066700378 /nfs/dbraw/zinc/70/03/78/1066700378.db2.gz FSRSMWIRXXOHMT-KRWDZBQOSA-N 0 0 458.400 4.787 20 0 JJADRN Cn1nc(-c2ccncc2)cc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001456819513 1066700480 /nfs/dbraw/zinc/70/04/80/1066700480.db2.gz LGRQKWYHPGMJOA-UXHICEINSA-N 0 0 481.984 4.725 20 0 JJADRN COc1cc([C@H](C)NC(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)cc2ccccc21 ZINC001456818486 1066700597 /nfs/dbraw/zinc/70/05/97/1066700597.db2.gz YZKDUIDPSYCWRB-HNNXBMFYSA-N 0 0 455.580 4.750 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)c1ccnc(NC(=O)C2CC2)c1 ZINC001456819251 1066700680 /nfs/dbraw/zinc/70/06/80/1066700680.db2.gz JYDSDBHBASAKED-UHFFFAOYSA-N 0 0 456.384 4.825 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(-c3cccc(Br)c3)nnc1N(C)CC(C)C)CCC2 ZINC001492629332 1066700969 /nfs/dbraw/zinc/70/09/69/1066700969.db2.gz ZNMLOWIKCOCMIO-GOSISDBHSA-N 0 0 457.420 4.882 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(c3ccccc3F)C3CCCC3)s2)CC1 ZINC001456819958 1066701125 /nfs/dbraw/zinc/70/11/25/1066701125.db2.gz MKEICTVSSKXSGE-UHFFFAOYSA-N 0 0 450.601 4.897 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001456821593 1066701180 /nfs/dbraw/zinc/70/11/80/1066701180.db2.gz MPJFYPOXJJAZRG-AWEZNQCLSA-N 0 0 454.739 4.652 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001456819837 1066701281 /nfs/dbraw/zinc/70/12/81/1066701281.db2.gz LZVIZQRAFPTTSE-QUCCMNQESA-N 0 0 450.432 4.671 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)s1 ZINC001492629614 1066701542 /nfs/dbraw/zinc/70/15/42/1066701542.db2.gz DVICJKJKDBJCMX-LJQANCHMSA-N 0 0 482.654 4.818 20 0 JJADRN CCOc1cc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)ccc1OCC(=O)OC ZINC001456821687 1066701751 /nfs/dbraw/zinc/70/17/51/1066701751.db2.gz MZLQKFJHPKLZRY-UHFFFAOYSA-N 0 0 456.882 4.730 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCc1cc(Cl)ccc1Br ZINC001446397060 1066702119 /nfs/dbraw/zinc/70/21/19/1066702119.db2.gz ROTNOYRFTLWJLV-INIZCTEOSA-N 0 0 459.812 4.941 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492629891 1066702356 /nfs/dbraw/zinc/70/23/56/1066702356.db2.gz JQMGOVMRHBFIQR-AGXBYUTESA-N 0 0 480.663 4.844 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCCOCC2)s1 ZINC001492629950 1066702395 /nfs/dbraw/zinc/70/23/95/1066702395.db2.gz KQFWWJAPWBRAFK-CQSZACIVSA-N 0 0 462.417 4.503 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](NC(=O)c4ccccc4)C3)c(F)c2)c(F)c1 ZINC001456832211 1066702889 /nfs/dbraw/zinc/70/28/89/1066702889.db2.gz YLKOVGOBXNTUGP-LJQANCHMSA-N 0 0 450.485 4.675 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC001456832301 1066703013 /nfs/dbraw/zinc/70/30/13/1066703013.db2.gz QBVDKSYEORSFEI-SBDDDAINSA-N 0 0 459.365 4.911 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc21 ZINC001456832292 1066703043 /nfs/dbraw/zinc/70/30/43/1066703043.db2.gz QBVDKSYEORSFEI-MEJMFZKBSA-N 0 0 459.365 4.911 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492630019 1066702938 /nfs/dbraw/zinc/70/29/38/1066702938.db2.gz MEZGYMIQAWSBND-DZGCQCFKSA-N 0 0 494.434 4.888 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492630022 1066703049 /nfs/dbraw/zinc/70/30/49/1066703049.db2.gz MEZGYMIQAWSBND-ZFWWWQNUSA-N 0 0 494.434 4.888 20 0 JJADRN Nc1cc(I)ccc1C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001446418082 1066703089 /nfs/dbraw/zinc/70/30/89/1066703089.db2.gz APMQYFLCISMJPW-OAQYLSRUSA-N 0 0 454.311 4.813 20 0 JJADRN CN(C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001456835916 1066703579 /nfs/dbraw/zinc/70/35/79/1066703579.db2.gz DWVOOYYMDFVMSN-DHIUTWEWSA-N 0 0 456.583 4.721 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCc2nc(C)cs2)CCO1 ZINC001546085425 1066703979 /nfs/dbraw/zinc/70/39/79/1066703979.db2.gz LGUQCQDMBFIUBD-NRFANRHFSA-N 0 0 493.475 4.829 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)s1 ZINC001492630253 1066704089 /nfs/dbraw/zinc/70/40/89/1066704089.db2.gz QPWFZNVYRFLXFZ-INIZCTEOSA-N 0 0 474.581 4.951 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492630397 1066704517 /nfs/dbraw/zinc/70/45/17/1066704517.db2.gz TZXINISHTSCHMB-BNOWGMLFSA-N 0 0 481.489 4.935 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)s1 ZINC001492630347 1066704543 /nfs/dbraw/zinc/70/45/43/1066704543.db2.gz SDXVJMCNKQDUKR-QUCCMNQESA-N 0 0 466.655 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)cc2C1 ZINC001446429136 1066704527 /nfs/dbraw/zinc/70/45/27/1066704527.db2.gz SEWRBAJBRRHIFY-IBGZPJMESA-N 0 0 458.624 4.573 20 0 JJADRN Cc1noc2ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)cc12 ZINC001456840895 1066704567 /nfs/dbraw/zinc/70/45/67/1066704567.db2.gz MSBAUVAUGNBPGH-INIZCTEOSA-N 0 0 450.417 4.755 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546085204 1066704605 /nfs/dbraw/zinc/70/46/05/1066704605.db2.gz GQULMULJHODGAG-XXBNENTESA-N 0 0 495.462 4.783 20 0 JJADRN Cc1ccc(C)c(C2CCN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC2)c1 ZINC001456843023 1066704649 /nfs/dbraw/zinc/70/46/49/1066704649.db2.gz FDTLSDGCXQEUNK-HXUWFJFHSA-N 0 0 452.599 4.771 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCc3cc(Br)ccc32)cs1 ZINC001446428014 1066704704 /nfs/dbraw/zinc/70/47/04/1066704704.db2.gz BMAGDCTZEDAVEP-LLVKDONJSA-N 0 0 452.374 4.694 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCOC(C)(C)[C@@H]2C)s1 ZINC001492630533 1066704998 /nfs/dbraw/zinc/70/49/98/1066704998.db2.gz WGSHPGVYFOEALC-MJGOQNOKSA-N 0 0 482.654 4.720 20 0 JJADRN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cn1 ZINC001446432982 1066705236 /nfs/dbraw/zinc/70/52/36/1066705236.db2.gz NIIVKQKJLRLBSN-FQEVSTJZSA-N 0 0 453.627 4.917 20 0 JJADRN Cc1ncoc1CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001456847448 1066705250 /nfs/dbraw/zinc/70/52/50/1066705250.db2.gz NUJFSSUICHTWFM-UHFFFAOYSA-N 0 0 450.347 4.951 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1Cl ZINC001456851763 1066705789 /nfs/dbraw/zinc/70/57/89/1066705789.db2.gz HIEHJSVTQLDNAJ-GYCJOSAFSA-N 0 0 452.913 4.746 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001545985876 1066706101 /nfs/dbraw/zinc/70/61/01/1066706101.db2.gz RDMZJUILGONVMX-FQEVSTJZSA-N 0 0 453.848 4.985 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1 ZINC001456853976 1066706233 /nfs/dbraw/zinc/70/62/33/1066706233.db2.gz MJQLPSMGSLOPPA-OAQYLSRUSA-N 0 0 454.573 4.513 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccccc1Cl ZINC001456854028 1066706284 /nfs/dbraw/zinc/70/62/84/1066706284.db2.gz OLAZHZGVOLVADS-XMMPIXPASA-N 0 0 459.933 4.722 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492630895 1066706605 /nfs/dbraw/zinc/70/66/05/1066706605.db2.gz BYPHYTFWIQGKCT-SJLPKXTDSA-N 0 0 476.691 4.881 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631025 1066706730 /nfs/dbraw/zinc/70/67/30/1066706730.db2.gz DRMZVAPBHWWFAN-HKUYNNGSSA-N 0 0 499.685 4.925 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545986253 1066707351 /nfs/dbraw/zinc/70/73/51/1066707351.db2.gz CAPXJEKQODLKGC-JTHBVZDNSA-N 0 0 499.656 4.913 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccn(-c2cccc(Br)c2)n1 ZINC001456860607 1066707809 /nfs/dbraw/zinc/70/78/09/1066707809.db2.gz CJOPTJCELSPEIJ-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492631417 1066707817 /nfs/dbraw/zinc/70/78/17/1066707817.db2.gz KLYOORZASMPKKM-PBHICJAKSA-N 0 0 476.444 4.750 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC001456859819 1066707882 /nfs/dbraw/zinc/70/78/82/1066707882.db2.gz FUBOQUHPDDCUCC-HOCLYGCPSA-N 0 0 454.411 4.930 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001456861016 1066707899 /nfs/dbraw/zinc/70/78/99/1066707899.db2.gz KAGZDDDIRRANOB-CYBMUJFWSA-N 0 0 452.433 4.749 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccccn2)s1 ZINC001492631594 1066708313 /nfs/dbraw/zinc/70/83/13/1066708313.db2.gz OACZHYXLHMZYPO-OAHLLOKOSA-N 0 0 454.550 4.747 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)C1 ZINC001456862437 1066708403 /nfs/dbraw/zinc/70/84/03/1066708403.db2.gz MDXZYJHXPXTJJQ-DVECYGJZSA-N 0 0 457.412 4.672 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OCc3ccccc3)CC2)s1 ZINC001492631571 1066708424 /nfs/dbraw/zinc/70/84/24/1066708424.db2.gz NMRLQWYGRRUXLY-IBGZPJMESA-N 0 0 496.681 4.894 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492631452 1066708477 /nfs/dbraw/zinc/70/84/77/1066708477.db2.gz KXLGYBIWEGJFSH-FUHWJXTLSA-N 0 0 474.675 4.855 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)C1 ZINC001456862444 1066708929 /nfs/dbraw/zinc/70/89/29/1066708929.db2.gz MDXZYJHXPXTJJQ-NTKDMRAZSA-N 0 0 457.412 4.672 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545986796 1066709243 /nfs/dbraw/zinc/70/92/43/1066709243.db2.gz KOOZMEREZYWXHG-AQNXPRMDSA-N 0 0 481.707 4.540 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001545986641 1066709263 /nfs/dbraw/zinc/70/92/63/1066709263.db2.gz IMUDXXXVPZIGJJ-YMPZKCBVSA-N 0 0 467.658 4.845 20 0 JJADRN COc1ccc(C(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cc1-c1ccccn1 ZINC001456866187 1066709625 /nfs/dbraw/zinc/70/96/25/1066709625.db2.gz JLHLYNKMURDYSY-UHFFFAOYSA-N 0 0 456.464 4.512 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2c(F)cccc2Cl)s1 ZINC001492632066 1066709839 /nfs/dbraw/zinc/70/98/39/1066709839.db2.gz WSLSLBKOJYDMFK-ZDUSSCGKSA-N 0 0 459.982 4.676 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC001492632185 1066709927 /nfs/dbraw/zinc/70/99/27/1066709927.db2.gz YJYKYUJFFXKNCB-KRWDZBQOSA-N 0 0 484.645 4.537 20 0 JJADRN O=C(Cn1cnc(-c2ccccc2)cc1=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001456866533 1066710172 /nfs/dbraw/zinc/71/01/72/1066710172.db2.gz UCVPFPFYIUOISZ-LJQANCHMSA-N 0 0 456.342 4.776 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCN(c4cccc(F)c4F)CC3)nnc2C(C)(C)C)s1 ZINC001492632370 1066710336 /nfs/dbraw/zinc/71/03/36/1066710336.db2.gz CSCZUWVCNMYUAF-OAHLLOKOSA-N 0 0 460.598 4.749 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(I)cc1Cl)Oc1cccc(Cl)c1 ZINC001456868619 1066710537 /nfs/dbraw/zinc/71/05/37/1066710537.db2.gz NEFWRAPRQBKNDH-JTQLQIEISA-N 0 0 450.103 4.795 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)ccc1Br ZINC001456869047 1066710570 /nfs/dbraw/zinc/71/05/70/1066710570.db2.gz CECIWAXMLWHYKI-VKJFTORMSA-N 0 0 452.393 4.907 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c(F)c1 ZINC001456868459 1066710628 /nfs/dbraw/zinc/71/06/28/1066710628.db2.gz WXGNEDVLCSLYGK-UHFFFAOYSA-N 0 0 455.795 4.782 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001456869103 1066710722 /nfs/dbraw/zinc/71/07/22/1066710722.db2.gz WFOPHKKUOKMHTC-UHFFFAOYSA-N 0 0 453.823 4.824 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)s1 ZINC001492632462 1066711022 /nfs/dbraw/zinc/71/10/22/1066711022.db2.gz FOZDVXWJTXHJRO-LEUOFYLZSA-N 0 0 492.715 4.559 20 0 JJADRN Cc1ccc(-n2c3ccc(Br)cc3nc2NC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1 ZINC001456870782 1066711086 /nfs/dbraw/zinc/71/10/86/1066711086.db2.gz YBTVVAVVOFSMND-CRAIPNDOSA-N 0 0 458.356 4.619 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Oc2ccc(C)cc2I)cc1 ZINC001456870818 1066711211 /nfs/dbraw/zinc/71/12/11/1066711211.db2.gz ZRBADOVSZIAUBS-GFCCVEGCSA-N 0 0 455.317 4.644 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c1)c1ccccc1 ZINC001446500101 1066711248 /nfs/dbraw/zinc/71/12/48/1066711248.db2.gz KMABOUCWEWLVTP-CQSZACIVSA-N 0 0 454.939 4.508 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)CC(=O)Nc3cccc(Cl)c3)nnc2C(C)(C)C)s1 ZINC001492632519 1066711408 /nfs/dbraw/zinc/71/14/08/1066711408.db2.gz HAORWABYRJPGOK-AWEZNQCLSA-N 0 0 461.035 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC001456872149 1066711699 /nfs/dbraw/zinc/71/16/99/1066711699.db2.gz BENPLEKPMOBNEN-CQSZACIVSA-N 0 0 450.377 4.840 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1)OC ZINC001545987007 1066711677 /nfs/dbraw/zinc/71/16/77/1066711677.db2.gz NLDCAZSMHVFTJY-WOJBJXKFSA-N 0 0 491.702 4.948 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3n[nH]c4c3cccc4Cl)c2)c1 ZINC001446504717 1066711740 /nfs/dbraw/zinc/71/17/40/1066711740.db2.gz VGHYVERXXLOSNM-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@](C)(O)C(C)C)CC2)s1 ZINC001492632863 1066711954 /nfs/dbraw/zinc/71/19/54/1066711954.db2.gz OVSWQOLFSUNMCG-AREMUKBSSA-N 0 0 496.681 4.703 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)c1csc(NC2CCCCC2)n1 ZINC001446508116 1066712181 /nfs/dbraw/zinc/71/21/81/1066712181.db2.gz CPJPURAUZWUOFT-UHFFFAOYSA-N 0 0 453.406 4.633 20 0 JJADRN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCO1 ZINC001456878883 1066712897 /nfs/dbraw/zinc/71/28/97/1066712897.db2.gz GQAWVPFNABMFSL-SBODMUILSA-N 0 0 458.599 4.601 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCc2cc(Br)ccc21)Oc1ccc(Br)cc1 ZINC001456881027 1066713409 /nfs/dbraw/zinc/71/34/09/1066713409.db2.gz RLKYTTUZIOPQMR-KPZWWZAWSA-N 0 0 453.174 4.825 20 0 JJADRN CC[C@@]1(C(=O)N(C)Cc2cc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C ZINC001446516025 1066713407 /nfs/dbraw/zinc/71/34/07/1066713407.db2.gz QMVXMJWAOPJFGY-NRFANRHFSA-N 0 0 455.393 4.596 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516483 1066713484 /nfs/dbraw/zinc/71/34/84/1066713484.db2.gz SMNVOMPBBKETEZ-NZRJUOQRSA-N 0 0 472.674 4.532 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccc(Br)cc2O)c2ccccc2OC)cc1 ZINC001446517281 1066713522 /nfs/dbraw/zinc/71/35/22/1066713522.db2.gz OBMPQTTZLDYJMI-HSZRJFAPSA-N 0 0 456.336 4.620 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@H](C)Oc3ccc(Br)cc3)c3c2CCC3)cc1 ZINC001456882699 1066713754 /nfs/dbraw/zinc/71/37/54/1066713754.db2.gz ULDMKRIFIKRZJE-INIZCTEOSA-N 0 0 454.368 4.629 20 0 JJADRN CCCc1ncc(C(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)s1 ZINC001456884323 1066713885 /nfs/dbraw/zinc/71/38/85/1066713885.db2.gz KCELNDMVMHKJNV-XDHUDOTRSA-N 0 0 457.596 4.729 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(Br)cc(C)c2N)c2ccccc2OC)cc1 ZINC001446519597 1066714114 /nfs/dbraw/zinc/71/41/14/1066714114.db2.gz WWXUPVUTIOZMHF-JOCHJYFZSA-N 0 0 455.352 4.876 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(Br)cc(C)c2N)c2ccccc2OC)cc1 ZINC001446519602 1066714170 /nfs/dbraw/zinc/71/41/70/1066714170.db2.gz WWXUPVUTIOZMHF-QFIPXVFZSA-N 0 0 455.352 4.876 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(NCc3cnn(C)c3)cc2)c2ccccc2OC)cc1 ZINC001446519400 1066714217 /nfs/dbraw/zinc/71/42/17/1066714217.db2.gz VSUMSPHRVFEZOH-SANMLTNESA-N 0 0 456.546 4.569 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001492633396 1066714384 /nfs/dbraw/zinc/71/43/84/1066714384.db2.gz ZIRGWBXKILWPQN-SZUSHISOSA-N 0 0 487.592 4.522 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)CC2)s1 ZINC001492633419 1066714397 /nfs/dbraw/zinc/71/43/97/1066714397.db2.gz BRCMMLOQDOTQNM-RUZDIDTESA-N 0 0 453.656 4.619 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4ccccc4F)n3CC[S@](=O)C(C)(C)C)CC2)s1 ZINC001492633782 1066714515 /nfs/dbraw/zinc/71/45/15/1066714515.db2.gz ORZULWIVUGHOMU-YTTGMZPUSA-N 0 0 475.659 4.780 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633447 1066714522 /nfs/dbraw/zinc/71/45/22/1066714522.db2.gz ZUNRFRUBQNPJHX-QZTZHPFYSA-N 0 0 461.676 4.760 20 0 JJADRN CCOc1ccc([C@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC001446520003 1066714716 /nfs/dbraw/zinc/71/47/16/1066714716.db2.gz XWQAYFQUUHKXAE-UPVQGACJSA-N 0 0 451.954 4.744 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@](C)(OC)C2CC2)CCO1 ZINC001546085441 1066714686 /nfs/dbraw/zinc/71/46/86/1066714686.db2.gz LLXXDLQJYBPPMB-DHIUTWEWSA-N 0 0 493.446 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)CSCc1coc(-c2ccccc2)n1 ZINC001456890968 1066715393 /nfs/dbraw/zinc/71/53/93/1066715393.db2.gz ZMBVCPZSNSNBDZ-FQEVSTJZSA-N 0 0 459.612 4.871 20 0 JJADRN COc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1OCCC(C)C ZINC001456893843 1066715776 /nfs/dbraw/zinc/71/57/76/1066715776.db2.gz FEGMBHOWFJSMRV-JCNLHEQBSA-N 0 0 454.995 4.807 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001456893152 1066715864 /nfs/dbraw/zinc/71/58/64/1066715864.db2.gz CIPJEOBJMMFVRK-OYHNWAKOSA-N 0 0 456.384 4.667 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001492634151 1066716617 /nfs/dbraw/zinc/71/66/17/1066716617.db2.gz DBQXRXBXKUWEMR-LJQANCHMSA-N 0 0 483.588 4.556 20 0 JJADRN O=C(c1cccc(Oc2ccncc2)c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446529939 1066716645 /nfs/dbraw/zinc/71/66/45/1066716645.db2.gz QNZXILNYODOSRQ-UHFFFAOYSA-N 0 0 452.352 4.594 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001492634150 1066716741 /nfs/dbraw/zinc/71/67/41/1066716741.db2.gz DBQXRXBXKUWEMR-IBGZPJMESA-N 0 0 483.588 4.556 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001456898792 1066716842 /nfs/dbraw/zinc/71/68/42/1066716842.db2.gz UHXKNEKLQXYYHI-MRXNPFEDSA-N 0 0 456.589 4.685 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C1 ZINC001456898686 1066716865 /nfs/dbraw/zinc/71/68/65/1066716865.db2.gz MLUNAEZKPNELAT-XYPYZODXSA-N 0 0 456.383 4.637 20 0 JJADRN O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456897619 1066716933 /nfs/dbraw/zinc/71/69/33/1066716933.db2.gz RONLBAJUNCSTTQ-QZTJIDSGSA-N 0 0 450.760 4.644 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 ZINC001456898117 1066716964 /nfs/dbraw/zinc/71/69/64/1066716964.db2.gz VLBYAQSPTGDUTE-UHFFFAOYSA-N 0 0 451.450 4.548 20 0 JJADRN CN(C)[C@H](C(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(Cl)cc1 ZINC001456898544 1066716986 /nfs/dbraw/zinc/71/69/86/1066716986.db2.gz WTHQAHAWUULRCQ-KRWDZBQOSA-N 0 0 458.183 4.780 20 0 JJADRN C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001446533422 1066717075 /nfs/dbraw/zinc/71/70/75/1066717075.db2.gz VRLPEEZTNWXKKZ-DYJHLDHHSA-N 0 0 451.405 4.942 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001492634488 1066717217 /nfs/dbraw/zinc/71/72/17/1066717217.db2.gz PIMFULQWLRSWJJ-UXHICEINSA-N 0 0 497.615 4.946 20 0 JJADRN Cc1nn(CC(F)F)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446532157 1066717153 /nfs/dbraw/zinc/71/71/53/1066717153.db2.gz WRVUOSJYYQVVTI-HSZRJFAPSA-N 0 0 458.940 4.657 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)CCOC)CCO1 ZINC001546085522 1066717311 /nfs/dbraw/zinc/71/73/11/1066717311.db2.gz MZNBOQHATFEIEQ-QFIPXVFZSA-N 0 0 483.426 4.915 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@H](c3ccncc3)C3CC3)s2)CC1 ZINC001456901096 1066717373 /nfs/dbraw/zinc/71/73/73/1066717373.db2.gz SJDKYJZMFVXREX-NRFANRHFSA-N 0 0 456.612 4.609 20 0 JJADRN C[C@@H](Oc1cccnc1)C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001456898984 1066717475 /nfs/dbraw/zinc/71/74/75/1066717475.db2.gz ANXMBBMJFHSLBB-OAHLLOKOSA-N 0 0 451.324 4.648 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCO1 ZINC001492634814 1066717716 /nfs/dbraw/zinc/71/77/16/1066717716.db2.gz YKZSZFYFLANSAI-MRXNPFEDSA-N 0 0 463.351 4.720 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492635199 1066718144 /nfs/dbraw/zinc/71/81/44/1066718144.db2.gz KAYNEHZPSFROQH-KRWDZBQOSA-N 0 0 457.619 4.933 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001492635244 1066718234 /nfs/dbraw/zinc/71/82/34/1066718234.db2.gz LOZYHPYBKCGRBV-UHFFFAOYSA-N 0 0 464.614 4.915 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001492635759 1066718931 /nfs/dbraw/zinc/71/89/31/1066718931.db2.gz ZXYJXEFUPICILG-WMZOPIPTSA-N 0 0 457.619 4.885 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)Cc1ccccc1OC ZINC001446546309 1066719472 /nfs/dbraw/zinc/71/94/72/1066719472.db2.gz VUIZTRFUUFEJKT-QGZVFWFLSA-N 0 0 452.938 4.536 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC001456911268 1066719565 /nfs/dbraw/zinc/71/95/65/1066719565.db2.gz DFVVXDISSJWDEF-CQSZACIVSA-N 0 0 457.518 4.938 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC001456911807 1066719590 /nfs/dbraw/zinc/71/95/90/1066719590.db2.gz GMBYPRRXQBKQHC-YFPIXMDGSA-N 0 0 458.274 4.775 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cccc(F)c1Sc1ccccc1)Cc1ccccc1OC ZINC001446545530 1066719552 /nfs/dbraw/zinc/71/95/52/1066719552.db2.gz SPYBPWWBKHSQDI-GOSISDBHSA-N 0 0 453.535 4.747 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccncc2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492636121 1066719882 /nfs/dbraw/zinc/71/98/82/1066719882.db2.gz MQCJIKMBHRWQMJ-UHFFFAOYSA-N 0 0 480.410 4.963 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492636090 1066719972 /nfs/dbraw/zinc/71/99/72/1066719972.db2.gz KVVRPDIKQWKNST-OAQYLSRUSA-N 0 0 483.588 4.760 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001456913517 1066720111 /nfs/dbraw/zinc/72/01/11/1066720111.db2.gz PGVCYHZONQPMMX-UHFFFAOYSA-N 0 0 457.777 4.531 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001456913417 1066720227 /nfs/dbraw/zinc/72/02/27/1066720227.db2.gz QYWUEJSJUBJVJX-XMMPIXPASA-N 0 0 451.590 4.693 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001492636357 1066720419 /nfs/dbraw/zinc/72/04/19/1066720419.db2.gz RCDGRJPENNYBQY-UHFFFAOYSA-N 0 0 472.412 4.982 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492636309 1066720439 /nfs/dbraw/zinc/72/04/39/1066720439.db2.gz QBBOIBBGPPJRCB-INIZCTEOSA-N 0 0 484.469 4.953 20 0 JJADRN CON(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@H]1CCCOc2ccccc21 ZINC001446561959 1066720699 /nfs/dbraw/zinc/72/06/99/1066720699.db2.gz WMBQMQFPDMSOGX-FQEVSTJZSA-N 0 0 452.580 4.589 20 0 JJADRN CCN(CC(=O)NCc1cc(C)cc(OC)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446563573 1066721121 /nfs/dbraw/zinc/72/11/21/1066721121.db2.gz AOMICACXMVDJMD-UHFFFAOYSA-N 0 0 458.558 4.891 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492636446 1066721105 /nfs/dbraw/zinc/72/11/05/1066721105.db2.gz CXCONLCCUQVHAJ-YOEHRIQHSA-N 0 0 472.615 4.519 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC001446564712 1066721248 /nfs/dbraw/zinc/72/12/48/1066721248.db2.gz HEERLTBZTHCNIH-ZDUSSCGKSA-N 0 0 453.555 4.643 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)F)CC2)n1 ZINC001492636715 1066721626 /nfs/dbraw/zinc/72/16/26/1066721626.db2.gz FPJGFZGOSUYIRZ-WBVHZDCISA-N 0 0 494.587 4.513 20 0 JJADRN CCc1nc(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)nn1-c1c(Cl)cccc1Cl ZINC001456918503 1066721813 /nfs/dbraw/zinc/72/18/13/1066721813.db2.gz LQVZGAMTEWWUIU-MRXNPFEDSA-N 0 0 453.757 4.907 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCC2(F)F)CCO1 ZINC001546085606 1066721833 /nfs/dbraw/zinc/72/18/33/1066721833.db2.gz OPFSJIQTGXISON-IFXJQAMLSA-N 0 0 472.378 4.867 20 0 JJADRN CCc1nc(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)nn1-c1c(Cl)cccc1Cl ZINC001456918502 1066721846 /nfs/dbraw/zinc/72/18/46/1066721846.db2.gz LQVZGAMTEWWUIU-INIZCTEOSA-N 0 0 453.757 4.907 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cl)c(I)c3)C2)cc1 ZINC001456921003 1066722177 /nfs/dbraw/zinc/72/21/77/1066722177.db2.gz MFNQIOWXLAWTLE-OAHLLOKOSA-N 0 0 454.739 4.652 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC001446570954 1066722188 /nfs/dbraw/zinc/72/21/88/1066722188.db2.gz OXONPXNDDGQUPU-QHCPKHFHSA-N 0 0 458.942 4.665 20 0 JJADRN COC1(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CCCCCC1 ZINC001456920417 1066722209 /nfs/dbraw/zinc/72/22/09/1066722209.db2.gz YEDDELCGSGIIHF-UHFFFAOYSA-N 0 0 450.988 4.610 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCSC2)CCO1 ZINC001546085621 1066722262 /nfs/dbraw/zinc/72/22/62/1066722262.db2.gz OUGKFBIUVMLJOU-OPAMFIHVSA-N 0 0 452.571 4.695 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)C1 ZINC001456919704 1066722315 /nfs/dbraw/zinc/72/23/15/1066722315.db2.gz JZJVZPNXKMIGRY-UXHICEINSA-N 0 0 454.636 4.833 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCSC2)CCO1 ZINC001546085622 1066722322 /nfs/dbraw/zinc/72/23/22/1066722322.db2.gz OUGKFBIUVMLJOU-ZHRRBRCNSA-N 0 0 452.571 4.695 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)C2)n1 ZINC001492637091 1066722630 /nfs/dbraw/zinc/72/26/30/1066722630.db2.gz KTSBAUQSHTYRMU-DZGCQCFKSA-N 0 0 451.518 4.971 20 0 JJADRN Cc1nn(CC(=O)N[C@H](C)C[C@@H](O)c2cccs2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001446580227 1066723007 /nfs/dbraw/zinc/72/30/07/1066723007.db2.gz AINIORDNBDFFNC-MLGOLLRUSA-N 0 0 454.518 4.572 20 0 JJADRN CO[C@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(Cl)cc1 ZINC001456923039 1066723010 /nfs/dbraw/zinc/72/30/10/1066723010.db2.gz RCUVMMFHSFIIBI-QGZVFWFLSA-N 0 0 452.711 4.545 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)cc1 ZINC001456922782 1066723066 /nfs/dbraw/zinc/72/30/66/1066723066.db2.gz DRIPTBAPWXTYMS-QHCPKHFHSA-N 0 0 455.505 4.602 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001456924452 1066723411 /nfs/dbraw/zinc/72/34/11/1066723411.db2.gz DCMWDOOXAUANBF-QVKFZJNVSA-N 0 0 457.361 4.661 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)n1 ZINC001492637400 1066723553 /nfs/dbraw/zinc/72/35/53/1066723553.db2.gz QPXJCZICGVDNIA-FXAWDEMLSA-N 0 0 455.628 4.830 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nc(C)c(C)s2)CCO1 ZINC001546085631 1066723945 /nfs/dbraw/zinc/72/39/45/1066723945.db2.gz OXXIRQVEQFUOKB-HSZRJFAPSA-N 0 0 477.581 4.868 20 0 JJADRN CO[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001456927458 1066724027 /nfs/dbraw/zinc/72/40/27/1066724027.db2.gz XPMZDHBIVUGQCD-HDXVLLOASA-N 0 0 451.007 4.863 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1 ZINC001492637644 1066724095 /nfs/dbraw/zinc/72/40/95/1066724095.db2.gz WBINVPRMNYFINL-LPHOPBHVSA-N 0 0 461.632 4.550 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 ZINC001492637643 1066724139 /nfs/dbraw/zinc/72/41/39/1066724139.db2.gz WBINVPRMNYFINL-APWZRJJASA-N 0 0 461.632 4.550 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](c2ccccc2)CO1 ZINC001456930075 1066724383 /nfs/dbraw/zinc/72/43/83/1066724383.db2.gz AIJRSNNWTCIELM-FZKQIMNGSA-N 0 0 453.174 4.743 20 0 JJADRN Cc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001456932958 1066724911 /nfs/dbraw/zinc/72/49/11/1066724911.db2.gz KYAVNSPQDPVNGU-UHFFFAOYSA-N 0 0 458.324 4.785 20 0 JJADRN Cc1cc(CCC(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)ccc1Br ZINC001456930738 1066724966 /nfs/dbraw/zinc/72/49/66/1066724966.db2.gz UHKCRRIELIATMB-APWZRJJASA-N 0 0 453.421 4.984 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)n1 ZINC001492637983 1066725030 /nfs/dbraw/zinc/72/50/30/1066725030.db2.gz BJHDDUDFQUUGNU-UYAOXDASSA-N 0 0 476.650 4.996 20 0 JJADRN O=C(Nn1cc(Br)cn1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001446594041 1066725129 /nfs/dbraw/zinc/72/51/29/1066725129.db2.gz WJUFLBDOWYXHJK-UHFFFAOYSA-N 0 0 459.731 4.717 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1 ZINC001492638159 1066725515 /nfs/dbraw/zinc/72/55/15/1066725515.db2.gz CLJRZHFHSZEAKA-ICSRJNTNSA-N 0 0 480.682 4.925 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1scnc1C)Oc1ccccc1F ZINC001545987708 1066725713 /nfs/dbraw/zinc/72/57/13/1066725713.db2.gz VWQGMNZKLDVBOZ-MSOLQXFVSA-N 0 0 459.591 4.570 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c(I)cc1Cl ZINC001456937096 1066725989 /nfs/dbraw/zinc/72/59/89/1066725989.db2.gz KDMJALUPQSTQTA-FZKQIMNGSA-N 0 0 455.723 4.855 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1ccc(C(F)(F)F)cc1 ZINC001456936791 1066726035 /nfs/dbraw/zinc/72/60/35/1066726035.db2.gz SYVUHWPHGMZSFU-HNNXBMFYSA-N 0 0 450.457 4.531 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CCN(c4ccc(Cl)cn4)CC3)nnc2C(C)(C)C)n1 ZINC001492638357 1066726014 /nfs/dbraw/zinc/72/60/14/1066726014.db2.gz GDPGKJMYUZWZEF-OAHLLOKOSA-N 0 0 460.051 4.519 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOC[C@H]2C)n1 ZINC001492638228 1066726022 /nfs/dbraw/zinc/72/60/22/1066726022.db2.gz DARHHNWKRQTEHK-UKRRQHHQSA-N 0 0 462.417 4.501 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492638368 1066726129 /nfs/dbraw/zinc/72/61/29/1066726129.db2.gz GGVZYZUZEDQYGR-INIZCTEOSA-N 0 0 457.619 4.970 20 0 JJADRN CN(C(=O)C1(c2cccc(Br)c2)CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456940319 1066726390 /nfs/dbraw/zinc/72/63/90/1066726390.db2.gz NDNCEKTUSQFDJS-SFHVURJKSA-N 0 0 451.405 4.729 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)c2nccs2)n1 ZINC001492638393 1066726503 /nfs/dbraw/zinc/72/65/03/1066726503.db2.gz GLSGORHYCWFJRT-JKSUJKDBSA-N 0 0 453.641 4.529 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 ZINC001492638392 1066726557 /nfs/dbraw/zinc/72/65/57/1066726557.db2.gz FTYOCGCCUQWNSP-QYBDOPJKSA-N 0 0 496.681 4.640 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456943173 1066726903 /nfs/dbraw/zinc/72/69/03/1066726903.db2.gz SASOICOATRQENT-OAHLLOKOSA-N 0 0 458.411 4.705 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CC=CCC2)n1 ZINC001492638724 1066727123 /nfs/dbraw/zinc/72/71/23/1066727123.db2.gz JQXRFTLBWVMUPW-AEFFLSMTSA-N 0 0 470.668 4.631 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492638705 1066727199 /nfs/dbraw/zinc/72/71/99/1066727199.db2.gz JNJSBTAHARSZBN-WIYYLYMNSA-N 0 0 453.656 4.883 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)n1 ZINC001492638867 1066727517 /nfs/dbraw/zinc/72/75/17/1066727517.db2.gz JSYDKMHFFNIFLM-GOSISDBHSA-N 0 0 472.703 4.664 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 ZINC001456950234 1066728238 /nfs/dbraw/zinc/72/82/38/1066728238.db2.gz BNZOJSXFVVYBDW-MRXNPFEDSA-N 0 0 453.608 4.554 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492639143 1066728243 /nfs/dbraw/zinc/72/82/43/1066728243.db2.gz LQDSSKYOGNYNPS-HOCLYGCPSA-N 0 0 458.598 4.508 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492639141 1066728259 /nfs/dbraw/zinc/72/82/59/1066728259.db2.gz LQDSSKYOGNYNPS-GDBMZVCRSA-N 0 0 458.598 4.508 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001446643602 1066728293 /nfs/dbraw/zinc/72/82/93/1066728293.db2.gz QMSBWKPRTPISCM-VXJOIVPMSA-N 0 0 455.210 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 ZINC001446650996 1066728684 /nfs/dbraw/zinc/72/86/84/1066728684.db2.gz CKEGGFWYGZPBQU-XPWALMASSA-N 0 0 454.611 4.680 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 ZINC001446648990 1066728729 /nfs/dbraw/zinc/72/87/29/1066728729.db2.gz GNXCHPZPKHAACZ-UHFFFAOYSA-N 0 0 456.340 4.691 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2C(C)(C)C)n1 ZINC001492639320 1066728768 /nfs/dbraw/zinc/72/87/68/1066728768.db2.gz PBAVQUYCJMHKKW-HNNXBMFYSA-N 0 0 462.664 4.638 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456951146 1066728783 /nfs/dbraw/zinc/72/87/83/1066728783.db2.gz WRWUZFZTJOGWLX-MRXNPFEDSA-N 0 0 450.288 4.563 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC)c3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 ZINC001546085767 1066728832 /nfs/dbraw/zinc/72/88/32/1066728832.db2.gz RTZVRQGBNPFWEM-DEOSSOPVSA-N 0 0 495.590 4.623 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@H]21 ZINC001446651620 1066729166 /nfs/dbraw/zinc/72/91/66/1066729166.db2.gz GIMXVOAZBDYAMP-BPLDGKMQSA-N 0 0 450.992 4.557 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)C[C@@H]21 ZINC001446651639 1066729218 /nfs/dbraw/zinc/72/92/18/1066729218.db2.gz GIMXVOAZBDYAMP-VHDGCEQUSA-N 0 0 450.992 4.557 20 0 JJADRN CCc1nc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)nn1-c1c(Cl)cccc1Cl ZINC001456954236 1066729335 /nfs/dbraw/zinc/72/93/35/1066729335.db2.gz UEDQXGNDFNMLEG-AWEZNQCLSA-N 0 0 455.349 4.813 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001456959123 1066729667 /nfs/dbraw/zinc/72/96/67/1066729667.db2.gz SENPCCDWVVPACU-UHFFFAOYSA-N 0 0 454.542 4.649 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492639837 1066729754 /nfs/dbraw/zinc/72/97/54/1066729754.db2.gz UARMXQDGXXYMTE-AWEZNQCLSA-N 0 0 460.673 4.596 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001456960285 1066729830 /nfs/dbraw/zinc/72/98/30/1066729830.db2.gz OPFYIYMXKCLXRC-UHFFFAOYSA-N 0 0 452.473 4.588 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446658226 1066729791 /nfs/dbraw/zinc/72/97/91/1066729791.db2.gz KOLJRYBAEGVPKC-HSJQUHBMSA-N 0 0 457.517 4.873 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446659359 1066729837 /nfs/dbraw/zinc/72/98/37/1066729837.db2.gz LDIDSFFZPVWQHJ-PMACEKPBSA-N 0 0 452.433 4.698 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446656858 1066729875 /nfs/dbraw/zinc/72/98/75/1066729875.db2.gz HIEPUUHDEXWLPU-HNNXBMFYSA-N 0 0 454.514 4.795 20 0 JJADRN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446658233 1066729888 /nfs/dbraw/zinc/72/98/88/1066729888.db2.gz KOLJRYBAEGVPKC-VMTJQQBPSA-N 0 0 457.517 4.873 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446656052 1066729917 /nfs/dbraw/zinc/72/99/17/1066729917.db2.gz DBOBDEHPSPIUQK-CYBMUJFWSA-N 0 0 456.427 4.897 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2COC(C)(C)OC2)n1 ZINC001492640010 1066730163 /nfs/dbraw/zinc/73/01/63/1066730163.db2.gz VPISUDKSSIZCII-OAHLLOKOSA-N 0 0 491.608 4.551 20 0 JJADRN Cc1cc(F)ccc1-n1cc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)nn1 ZINC001456962584 1066730207 /nfs/dbraw/zinc/73/02/07/1066730207.db2.gz UIJMLUXBFXTFAD-UHFFFAOYSA-N 0 0 450.436 4.841 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC001492640020 1066730214 /nfs/dbraw/zinc/73/02/14/1066730214.db2.gz VSFJGDGHWQIXAF-MRXNPFEDSA-N 0 0 472.684 4.506 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1snc(Cl)c1Cl)c1cccc(Br)c1 ZINC001446660405 1066730232 /nfs/dbraw/zinc/73/02/32/1066730232.db2.gz OIMCDXFFQFTZFX-SNVBAGLBSA-N 0 0 452.157 4.637 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)ccc1Br ZINC001446661364 1066730281 /nfs/dbraw/zinc/73/02/81/1066730281.db2.gz QOCLZSXUUKNMPM-UHFFFAOYSA-N 0 0 453.421 4.890 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(C2CCCCC2)no1 ZINC001456960818 1066730239 /nfs/dbraw/zinc/73/02/39/1066730239.db2.gz LMXYLUKSEKWQOJ-QGZVFWFLSA-N 0 0 453.564 4.582 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C ZINC001545987976 1066730390 /nfs/dbraw/zinc/73/03/90/1066730390.db2.gz ZMBCLGQLVISHJD-VQTJNVASSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456963386 1066730633 /nfs/dbraw/zinc/73/06/33/1066730633.db2.gz GOFGXMIJRUYCSB-HJOGWXRNSA-N 0 0 452.595 4.887 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)n1 ZINC001492640222 1066730785 /nfs/dbraw/zinc/73/07/85/1066730785.db2.gz XKECSIFFSJAHJV-YLJYHZDGSA-N 0 0 454.644 4.616 20 0 JJADRN COCc1nc2sc(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)c(C)c2c(OC)n1 ZINC001446682086 1066730898 /nfs/dbraw/zinc/73/08/98/1066730898.db2.gz QYWQFQYQUCFGJZ-UHFFFAOYSA-N 0 0 451.495 4.863 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCOCC(F)F)CCO1 ZINC001546085845 1066731118 /nfs/dbraw/zinc/73/11/18/1066731118.db2.gz TYABZMDGACKQEA-HSZRJFAPSA-N 0 0 468.614 4.953 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 ZINC001456965025 1066731130 /nfs/dbraw/zinc/73/11/30/1066731130.db2.gz LKOQYLYCRNNMHI-PGRDOPGGSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 ZINC001456965017 1066731197 /nfs/dbraw/zinc/73/11/97/1066731197.db2.gz LKOQYLYCRNNMHI-AVRDEDQJSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)n1 ZINC001492640287 1066731177 /nfs/dbraw/zinc/73/11/77/1066731177.db2.gz YPPNJLMWIVZYNY-UPCLLVRISA-N 0 0 474.074 4.982 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC001446696598 1066731418 /nfs/dbraw/zinc/73/14/18/1066731418.db2.gz IYYGSHOTBQPHDU-IPKGOGJASA-N 0 0 481.431 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC001446695772 1066731469 /nfs/dbraw/zinc/73/14/69/1066731469.db2.gz ARRNAWIIOYAPGB-NRFANRHFSA-N 0 0 450.377 4.697 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Br)o2)n1 ZINC001492640565 1066731733 /nfs/dbraw/zinc/73/17/33/1066731733.db2.gz YOKVAAGKOXMKEX-CYBMUJFWSA-N 0 0 473.400 4.901 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC001492640537 1066731816 /nfs/dbraw/zinc/73/18/16/1066731816.db2.gz YDEUNHHSYWTRFW-QNXPBUOUSA-N 0 0 482.679 4.787 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)c1)c1cccc(Br)c1 ZINC001446698999 1066731866 /nfs/dbraw/zinc/73/18/66/1066731866.db2.gz QDJXASQGCIUCRJ-LJQANCHMSA-N 0 0 457.368 4.590 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)ccc1Cl ZINC001446705630 1066732213 /nfs/dbraw/zinc/73/22/13/1066732213.db2.gz DJNSAXHPARDICN-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)Nc3nc(Cc4ccccc4)cs3)cc21 ZINC001446703124 1066732329 /nfs/dbraw/zinc/73/23/29/1066732329.db2.gz TXKVUUFEBATLEB-QGZVFWFLSA-N 0 0 453.568 4.542 20 0 JJADRN CC(C)[C@H](NCC(F)(F)F)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC001446703139 1066732371 /nfs/dbraw/zinc/73/23/71/1066732371.db2.gz TYYNYHFVXMFLCS-AWEZNQCLSA-N 0 0 450.324 4.611 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1ccnc2ccccc21 ZINC001446709242 1066733133 /nfs/dbraw/zinc/73/31/33/1066733133.db2.gz JIWBZHRBHYAHRJ-UHFFFAOYSA-N 0 0 453.907 4.647 20 0 JJADRN CSC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001456974234 1066733473 /nfs/dbraw/zinc/73/34/73/1066733473.db2.gz MMEZCYFGKLTKRJ-SFHVURJKSA-N 0 0 452.620 4.905 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccccc3Cl)CCO2)n1 ZINC001492640904 1066733478 /nfs/dbraw/zinc/73/34/78/1066733478.db2.gz GWQBCMVRXLONGG-DVECYGJZSA-N 0 0 490.073 4.771 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641152 1066733822 /nfs/dbraw/zinc/73/38/22/1066733822.db2.gz JZDKYHJBNYBPQW-OFVILXPXSA-N 0 0 487.645 4.538 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001456978234 1066734000 /nfs/dbraw/zinc/73/40/00/1066734000.db2.gz USLUCCLEAIOWKF-UHFFFAOYSA-N 0 0 456.013 4.698 20 0 JJADRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(OCc2ccccc2Br)c1 ZINC001446721122 1066734300 /nfs/dbraw/zinc/73/43/00/1066734300.db2.gz YKMFQGJZSWSLFJ-UHFFFAOYSA-N 0 0 452.308 4.540 20 0 JJADRN C[C@H]1C[C@H](NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C(=O)N1c1ccccc1 ZINC001456977436 1066734439 /nfs/dbraw/zinc/73/44/39/1066734439.db2.gz NYGIPXXBLVVGOZ-KSSFIOAISA-N 0 0 455.530 4.676 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC001456977694 1066734498 /nfs/dbraw/zinc/73/44/98/1066734498.db2.gz KJFPQRBQYNXRAI-WMZHIEFXSA-N 0 0 458.624 4.559 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C(=O)N1c1ccccc1 ZINC001456977446 1066734509 /nfs/dbraw/zinc/73/45/09/1066734509.db2.gz NYGIPXXBLVVGOZ-RDTXWAMCSA-N 0 0 455.530 4.676 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641268 1066734472 /nfs/dbraw/zinc/73/44/72/1066734472.db2.gz KPRBACGNXKMVMP-BWKNWUBXSA-N 0 0 487.645 4.538 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001446736682 1066734786 /nfs/dbraw/zinc/73/47/86/1066734786.db2.gz SFDCWCLSGIQCCF-HRKXOBMBSA-N 0 0 453.464 4.619 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCCCCO)C2)n1 ZINC001492641676 1066734892 /nfs/dbraw/zinc/73/48/92/1066734892.db2.gz IUUHTMKQDIVHDY-GOSISDBHSA-N 0 0 477.581 4.858 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546085912 1066734898 /nfs/dbraw/zinc/73/48/98/1066734898.db2.gz VGFKOMPIUWTJPO-RPBOFIJWSA-N 0 0 478.584 4.883 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001546085909 1066734969 /nfs/dbraw/zinc/73/49/69/1066734969.db2.gz VGFKOMPIUWTJPO-DQEYMECFSA-N 0 0 478.584 4.883 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cc(F)ccc1Br ZINC001456981121 1066734981 /nfs/dbraw/zinc/73/49/81/1066734981.db2.gz ZDRYHRNGAFULJU-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)[C@@H]2CCCC[C@@H]21 ZINC001446746720 1066735227 /nfs/dbraw/zinc/73/52/27/1066735227.db2.gz ZSYABIBANNNXFN-AXAPSJFSSA-N 0 0 457.294 4.699 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3ccnc(C(C)(C)C)n3)CCO2)n1 ZINC001492642128 1066735341 /nfs/dbraw/zinc/73/53/41/1066735341.db2.gz RVAXNRLKVHHYKP-HXUWFJFHSA-N 0 0 497.713 4.930 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2nccs2)n1 ZINC001492642098 1066735367 /nfs/dbraw/zinc/73/53/67/1066735367.db2.gz MDBFWGBCKWMARR-SZVBFZGTSA-N 0 0 474.700 4.901 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2nccs2)n1 ZINC001492642096 1066735421 /nfs/dbraw/zinc/73/54/21/1066735421.db2.gz MDBFWGBCKWMARR-KVSKMBFKSA-N 0 0 474.700 4.901 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccccc4)n3CC(C)(C)NC(=O)OC(C)(C)C)CCO2)n1 ZINC001492642232 1066735824 /nfs/dbraw/zinc/73/58/24/1066735824.db2.gz TXSBOPQGDBPLLY-LJQANCHMSA-N 0 0 498.653 4.591 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)n1 ZINC001492642311 1066735876 /nfs/dbraw/zinc/73/58/76/1066735876.db2.gz NPANDJKRCGKHDX-LJQANCHMSA-N 0 0 474.675 4.684 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)cc3Cl)CCO2)n1 ZINC001492642227 1066735937 /nfs/dbraw/zinc/73/59/37/1066735937.db2.gz TULKOWVNCSDMAF-IBGZPJMESA-N 0 0 464.010 4.855 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)OCc3nc(C)cs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001456983990 1066736073 /nfs/dbraw/zinc/73/60/73/1066736073.db2.gz MPMGDLVWMMWXNI-QPPBQGQZSA-N 0 0 450.560 4.996 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C2)n1 ZINC001492642556 1066736326 /nfs/dbraw/zinc/73/63/26/1066736326.db2.gz QNTCRBDOQJJCBX-QGZVFWFLSA-N 0 0 461.035 4.958 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)cc1 ZINC001446756103 1066736431 /nfs/dbraw/zinc/73/64/31/1066736431.db2.gz IHEODCOHYVRPER-UHFFFAOYSA-N 0 0 459.518 4.991 20 0 JJADRN C[C@@H](O)C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446764171 1066736824 /nfs/dbraw/zinc/73/68/24/1066736824.db2.gz RKMJEAQBDZBAGX-ANSQWYIGSA-N 0 0 458.558 4.542 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001456989296 1066736826 /nfs/dbraw/zinc/73/68/26/1066736826.db2.gz KZEBMVIIFVIENB-MRXNPFEDSA-N 0 0 450.373 4.572 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccccc4C)n3CCCCCS(C)(=O)=O)C2)n1 ZINC001492642890 1066736919 /nfs/dbraw/zinc/73/69/19/1066736919.db2.gz VDVGITZEYNCEHM-HXUWFJFHSA-N 0 0 487.695 4.617 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3CC(=O)Nc3c(C)cccc3C)C2)n1 ZINC001492642919 1066737329 /nfs/dbraw/zinc/73/73/29/1066737329.db2.gz VRQJYLZDNZFRNN-FQEVSTJZSA-N 0 0 466.655 4.881 20 0 JJADRN COC[C@]1(C(=O)N2CC=C(c3cccc4ccccc43)C2)CCCCN1C(=O)OC(C)(C)C ZINC001446768656 1066737379 /nfs/dbraw/zinc/73/73/79/1066737379.db2.gz QUXHWKFNHJVDCB-MHZLTWQESA-N 0 0 450.579 4.872 20 0 JJADRN C[C@@H](O)C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001446764224 1066737463 /nfs/dbraw/zinc/73/74/63/1066737463.db2.gz RKMJEAQBDZBAGX-UDCNLSRBSA-N 0 0 458.558 4.542 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3C[C@@](C)(O)CCC(C)C)C2)n1 ZINC001492642972 1066737840 /nfs/dbraw/zinc/73/78/40/1066737840.db2.gz WKDNWTBYZYQIRN-NMMYMHLASA-N 0 0 461.676 4.856 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492642974 1066737895 /nfs/dbraw/zinc/73/78/95/1066737895.db2.gz WKDNWTBYZYQIRN-YOSAUDMPSA-N 0 0 461.676 4.856 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001446774883 1066737999 /nfs/dbraw/zinc/73/79/99/1066737999.db2.gz BYSYGPXJYDHLDY-ZRBLBEILSA-N 0 0 453.583 4.686 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCOCC(F)(F)C(F)F)CCO2 ZINC001456993490 1066737957 /nfs/dbraw/zinc/73/79/57/1066737957.db2.gz UJCRYPADPCXDLQ-IBGZPJMESA-N 0 0 455.448 4.855 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545989461 1066738074 /nfs/dbraw/zinc/73/80/74/1066738074.db2.gz GLPARGJRHQTRQC-XKCSPQBFSA-N 0 0 474.621 4.953 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cc(OCC(F)F)ccn1)CCO2 ZINC001456995607 1066738119 /nfs/dbraw/zinc/73/81/19/1066738119.db2.gz ZSSRRORODTXNKJ-JOCHJYFZSA-N 0 0 454.473 4.900 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)n1 ZINC001492643082 1066738270 /nfs/dbraw/zinc/73/82/70/1066738270.db2.gz YQBDHZHILSVBPL-VLCRHTCISA-N 0 0 483.682 4.764 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3CC(C)(C)O)C2)n1 ZINC001492643097 1066738368 /nfs/dbraw/zinc/73/83/68/1066738368.db2.gz YUUCGQKMOBABGR-DLBZAZTESA-N 0 0 476.046 4.991 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)N2CCC(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1 ZINC001446782690 1066738438 /nfs/dbraw/zinc/73/84/38/1066738438.db2.gz IZXNNRZQZREFQE-MHZLTWQESA-N 0 0 456.586 4.956 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 ZINC001446781732 1066738647 /nfs/dbraw/zinc/73/86/47/1066738647.db2.gz IQOYWAGQBAJPRY-BDYUSTAISA-N 0 0 458.558 4.581 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446785894 1066739109 /nfs/dbraw/zinc/73/91/09/1066739109.db2.gz DBLCMTMAAKQJCB-RZSVFLSASA-N 0 0 452.395 4.935 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001456999020 1066739173 /nfs/dbraw/zinc/73/91/73/1066739173.db2.gz INLMOYZDQPCKPU-NKZVREJYSA-N 0 0 454.489 4.991 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001456999016 1066739187 /nfs/dbraw/zinc/73/91/87/1066739187.db2.gz INLMOYZDQPCKPU-FDGLKFFFSA-N 0 0 454.489 4.991 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)n2)cc(Cl)c1OC ZINC001457003143 1066739210 /nfs/dbraw/zinc/73/92/10/1066739210.db2.gz BRANIAJNBOCKEQ-INIZCTEOSA-N 0 0 457.958 4.704 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCN(C(=O)OCc3ccccc3)CC2)n1 ZINC001492643426 1066739233 /nfs/dbraw/zinc/73/92/33/1066739233.db2.gz IRWVJYXXZJLRML-UHFFFAOYSA-N 0 0 496.681 4.723 20 0 JJADRN Cc1csc(CCCCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(F)cc2F)n1 ZINC001492643363 1066739342 /nfs/dbraw/zinc/73/93/42/1066739342.db2.gz GYLRAVJBEINREE-UHFFFAOYSA-N 0 0 485.608 4.842 20 0 JJADRN CC(C)(C)[C@H]1CCc2nc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2C1 ZINC001446789054 1066739567 /nfs/dbraw/zinc/73/95/67/1066739567.db2.gz DNLQLUBVIYLVTG-ZDUSSCGKSA-N 0 0 453.029 4.893 20 0 JJADRN Cc1oc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1CN1C(=O)c2ccccc2C1=O ZINC001457007375 1066739967 /nfs/dbraw/zinc/73/99/67/1066739967.db2.gz FIERJLFRIKVNKR-CYBMUJFWSA-N 0 0 456.420 4.894 20 0 JJADRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2nc(Br)ccc2Br)c1 ZINC001446789691 1066740032 /nfs/dbraw/zinc/74/00/32/1066740032.db2.gz QCTAKYZIOXMBSX-IAQYHMDHSA-N 0 0 454.162 4.839 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@H](C)C2)n1 ZINC001492643757 1066740170 /nfs/dbraw/zinc/74/01/70/1066740170.db2.gz QFUPUMSXVDGLSU-QGZVFWFLSA-N 0 0 461.582 4.550 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(COc4ccc(Cl)cc4)n3CCC(C)(F)F)CCO2)n1 ZINC001492643908 1066740702 /nfs/dbraw/zinc/74/07/02/1066740702.db2.gz DLDFQENGBXZGNC-QGZVFWFLSA-N 0 0 483.972 4.899 20 0 JJADRN COC(C)(C)C[C@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 ZINC001457010818 1066741160 /nfs/dbraw/zinc/74/11/60/1066741160.db2.gz PROZLTJUOZNEID-SFHVURJKSA-N 0 0 458.624 4.740 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC001492644062 1066741097 /nfs/dbraw/zinc/74/10/97/1066741097.db2.gz WMWCBGBVNNBSEQ-GOSISDBHSA-N 0 0 483.535 4.563 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC001457010498 1066741226 /nfs/dbraw/zinc/74/12/26/1066741226.db2.gz OEKYWVQFLYWPJN-FQEVSTJZSA-N 0 0 457.603 4.786 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@H](C)CC(N)=O)n1 ZINC001492644217 1066741580 /nfs/dbraw/zinc/74/15/80/1066741580.db2.gz IDRINGHVRMZTAD-CQSZACIVSA-N 0 0 481.453 4.740 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(F)cc3ccoc32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457011234 1066741686 /nfs/dbraw/zinc/74/16/86/1066741686.db2.gz FAOPUFATDGLKAK-JOCHJYFZSA-N 0 0 453.491 4.503 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCn2cccn2)n1 ZINC001492644323 1066741752 /nfs/dbraw/zinc/74/17/52/1066741752.db2.gz KGOZCIAHRDPCTL-UHFFFAOYSA-N 0 0 474.009 4.858 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001545989586 1066741810 /nfs/dbraw/zinc/74/18/10/1066741810.db2.gz IDWZMGZWPHBQGT-IRXDYDNUSA-N 0 0 482.000 4.514 20 0 JJADRN Cc1ccncc1[C@@H](C)NC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1 ZINC001446805083 1066742356 /nfs/dbraw/zinc/74/23/56/1066742356.db2.gz FJFOOSONVLAEPS-CQSZACIVSA-N 0 0 458.381 4.886 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)n1 ZINC001492644548 1066742826 /nfs/dbraw/zinc/74/28/26/1066742826.db2.gz REIANQVCSAKWBX-UHFFFAOYSA-N 0 0 497.575 4.628 20 0 JJADRN Cc1ccncc1[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001446810324 1066743466 /nfs/dbraw/zinc/74/34/66/1066743466.db2.gz RZTGHRQXKDRKTC-MRXNPFEDSA-N 0 0 452.352 4.825 20 0 JJADRN COc1ccc([C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)c2ccccc2Cl)c(OC)c1 ZINC001457016360 1066744060 /nfs/dbraw/zinc/74/40/60/1066744060.db2.gz MFMHIUVXUSOZMT-LJQANCHMSA-N 0 0 454.939 4.723 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001492644975 1066744349 /nfs/dbraw/zinc/74/43/49/1066744349.db2.gz HCMFOFIGVNSTSJ-HOTGVXAUSA-N 0 0 455.550 4.814 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001492644900 1066744395 /nfs/dbraw/zinc/74/43/95/1066744395.db2.gz DTZJKSGRARGNAC-RTBURBONSA-N 0 0 490.073 4.799 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001492644897 1066744484 /nfs/dbraw/zinc/74/44/84/1066744484.db2.gz DTZJKSGRARGNAC-MOPGFXCFSA-N 0 0 490.073 4.799 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001457018561 1066744493 /nfs/dbraw/zinc/74/44/93/1066744493.db2.gz VUJMLQVXOSSSKS-LJQANCHMSA-N 0 0 457.452 4.903 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc4cc(Br)ccc4[nH]3)CC2=O)cc1 ZINC001457020239 1066744529 /nfs/dbraw/zinc/74/45/29/1066744529.db2.gz RLXNVODBYRADFO-HNNXBMFYSA-N 0 0 455.356 4.660 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001446817577 1066744479 /nfs/dbraw/zinc/74/44/79/1066744479.db2.gz ZEJXGOVJZZANHW-KSFYIVLOSA-N 0 0 456.464 4.738 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H](NCC(F)(F)F)C(C)C ZINC001446817447 1066744485 /nfs/dbraw/zinc/74/44/85/1066744485.db2.gz YASRKJPCZPIUIM-MSOLQXFVSA-N 0 0 453.471 4.699 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001492644977 1066744499 /nfs/dbraw/zinc/74/44/99/1066744499.db2.gz HCMFOFIGVNSTSJ-JKSUJKDBSA-N 0 0 455.550 4.814 20 0 JJADRN Cc1csc(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C)C2)n1 ZINC001492645008 1066744842 /nfs/dbraw/zinc/74/48/42/1066744842.db2.gz HZCXUDLYXMHBCJ-NLWGTHIKSA-N 0 0 463.717 4.926 20 0 JJADRN Cc1csc(CCCCn2c(N3CCS[C@@H](C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492645121 1066745019 /nfs/dbraw/zinc/74/50/19/1066745019.db2.gz LHOTULVSVOJCIF-YKSBVNFPSA-N 0 0 493.743 4.684 20 0 JJADRN Cc1csc(CCCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(OC(F)F)c2)n1 ZINC001492645231 1066745399 /nfs/dbraw/zinc/74/53/99/1066745399.db2.gz OSLRSRQWEJORFQ-UHFFFAOYSA-N 0 0 459.526 4.811 20 0 JJADRN COC(=O)[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)CC1CCCC1 ZINC001457019946 1066745522 /nfs/dbraw/zinc/74/55/22/1066745522.db2.gz XBLAFYAUFZTRNF-NHCUHLMSSA-N 0 0 452.636 4.583 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001492645227 1066745548 /nfs/dbraw/zinc/74/55/48/1066745548.db2.gz OQYYNCYTYQTFGH-HKUYNNGSSA-N 0 0 488.057 4.683 20 0 JJADRN COC(=O)Nc1cccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)c1 ZINC001457023722 1066745950 /nfs/dbraw/zinc/74/59/50/1066745950.db2.gz YNFNWKRAUQIKNY-UHFFFAOYSA-N 0 0 454.548 4.829 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001492645382 1066746073 /nfs/dbraw/zinc/74/60/73/1066746073.db2.gz UDAPNUFHLCTXEM-WZOHSFFVSA-N 0 0 470.639 4.581 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)Nc1nc2cc(Br)ccc2[nH]1 ZINC001457024051 1066746473 /nfs/dbraw/zinc/74/64/73/1066746473.db2.gz YNSMPIHLXJNGJT-UHFFFAOYSA-N 0 0 452.308 4.922 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NCCNc2cccc(Br)c2)cc1)c1ccccc1 ZINC001446839752 1066746763 /nfs/dbraw/zinc/74/67/63/1066746763.db2.gz YDGGMWKJWFFSID-UHFFFAOYSA-N 0 0 452.352 4.568 20 0 JJADRN CC(=O)Nc1ccccc1CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001457025841 1066746900 /nfs/dbraw/zinc/74/69/00/1066746900.db2.gz JBFMVSVBHQSFSF-UHFFFAOYSA-N 0 0 451.567 4.528 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2nc1C(F)(F)F ZINC001457024882 1066747053 /nfs/dbraw/zinc/74/70/53/1066747053.db2.gz AJDKLRNUBVSLOY-HNNXBMFYSA-N 0 0 454.493 4.717 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)c2ccc(Cl)cc2)c1 ZINC001457025385 1066747097 /nfs/dbraw/zinc/74/70/97/1066747097.db2.gz GNTJXJXLTKUVMS-GOTSBHOMSA-N 0 0 457.954 4.818 20 0 JJADRN C[C@H](CCO)C1(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CCC1 ZINC001446844961 1066747368 /nfs/dbraw/zinc/74/73/68/1066747368.db2.gz GTBUSLXVDXPQGW-MRXNPFEDSA-N 0 0 459.384 4.620 20 0 JJADRN Cc1cc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)nn1-c1ccc(C)cc1 ZINC001446848225 1066747938 /nfs/dbraw/zinc/74/79/38/1066747938.db2.gz WTMVBIXOZNERBU-UHFFFAOYSA-N 0 0 452.584 4.746 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2CSc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001457029973 1066748637 /nfs/dbraw/zinc/74/86/37/1066748637.db2.gz QOTQTOHPFPMTLJ-IFMALSPDSA-N 0 0 458.004 4.839 20 0 JJADRN O=C(N1CCc2cc(Br)cc(F)c2C1)C1(c2ccccc2Cl)CCOCC1 ZINC001446858845 1066748856 /nfs/dbraw/zinc/74/88/56/1066748856.db2.gz WVIKQWWCDCCPPJ-UHFFFAOYSA-N 0 0 452.751 4.875 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(Br)cc(F)c3C2)CCCCC1 ZINC001446859176 1066748897 /nfs/dbraw/zinc/74/88/97/1066748897.db2.gz ZVGHFRGYAYVYNM-UHFFFAOYSA-N 0 0 455.368 4.701 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001457033396 1066749102 /nfs/dbraw/zinc/74/91/02/1066749102.db2.gz PJVMMOGTBHWTKK-HNNXBMFYSA-N 0 0 455.502 4.910 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001492646413 1066749369 /nfs/dbraw/zinc/74/93/69/1066749369.db2.gz GVCHKMRJEWIXOM-ZVDOUQERSA-N 0 0 489.686 4.824 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001457034902 1066749602 /nfs/dbraw/zinc/74/96/02/1066749602.db2.gz DMHIZPUJQKBOCB-UHFFFAOYSA-N 0 0 450.627 4.535 20 0 JJADRN CCOc1cc(C(=O)N2CCCCC[C@@H]2c2ncon2)ccc1OCCOc1ccccc1 ZINC001546086309 1066749631 /nfs/dbraw/zinc/74/96/31/1066749631.db2.gz GMRCANQFMZWITN-OAQYLSRUSA-N 0 0 451.523 4.684 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc[nH]3)n2CCOc2cccc(C(F)(F)F)n2)c1 ZINC001492646605 1066749876 /nfs/dbraw/zinc/74/98/76/1066749876.db2.gz MQHRADHEKXCMDD-UHFFFAOYSA-N 0 0 462.501 4.772 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NCC2(C)CCCCCC2)cc1OC ZINC001446868276 1066749928 /nfs/dbraw/zinc/74/99/28/1066749928.db2.gz MXHOCJHYCIUIOG-UHFFFAOYSA-N 0 0 454.567 4.812 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)c1 ZINC001492646663 1066749917 /nfs/dbraw/zinc/74/99/17/1066749917.db2.gz OFXAZVOCNRFUPO-JOCHJYFZSA-N 0 0 488.679 4.531 20 0 JJADRN Cc1cc(SCC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001457036324 1066750050 /nfs/dbraw/zinc/75/00/50/1066750050.db2.gz SLRMRYBCHSKWCZ-OAHLLOKOSA-N 0 0 457.434 4.626 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492646969 1066750407 /nfs/dbraw/zinc/75/04/07/1066750407.db2.gz BFVGAARZDLPMIJ-UHFFFAOYSA-N 0 0 470.643 4.527 20 0 JJADRN COC(=O)c1ccc2c(c1)OCCN(C(=O)[C@@H](C)Sc1ccnc3cc(Cl)ccc31)C2 ZINC001457040823 1066750485 /nfs/dbraw/zinc/75/04/85/1066750485.db2.gz UMAHEJPIRQDUIH-CQSZACIVSA-N 0 0 456.951 4.577 20 0 JJADRN Cc1ccc(C2=CCN(C(=O)c3c(F)ccc(I)c3Cl)CC2)cn1 ZINC001446873441 1066750891 /nfs/dbraw/zinc/75/08/91/1066750891.db2.gz ZKAZLFMOVIMYQH-UHFFFAOYSA-N 0 0 456.686 4.717 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(C)CCCCCC2)c1 ZINC001446873383 1066750932 /nfs/dbraw/zinc/75/09/32/1066750932.db2.gz XEYGPVAROJJRIZ-UHFFFAOYSA-N 0 0 459.450 4.616 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001446874516 1066751030 /nfs/dbraw/zinc/75/10/30/1066751030.db2.gz BYVJLQPXZAFTNJ-HTAPYJJXSA-N 0 0 459.612 4.713 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001446876721 1066751391 /nfs/dbraw/zinc/75/13/91/1066751391.db2.gz WSVBYTMQSWRDMY-BTYIYWSLSA-N 0 0 455.356 4.797 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCc2nc(C)no2)c1 ZINC001492647452 1066751431 /nfs/dbraw/zinc/75/14/31/1066751431.db2.gz MLMLTKQKJLLDCK-UHFFFAOYSA-N 0 0 457.003 4.853 20 0 JJADRN Cc1cc(N2CCC(NC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)CC2)nc(C)n1 ZINC001457054530 1066751544 /nfs/dbraw/zinc/75/15/44/1066751544.db2.gz SNHXSNNAABWVEN-XMMPIXPASA-N 0 0 450.583 4.851 20 0 JJADRN CC(C)=CCOc1cccc(C(=O)N2CCn3c(c(Br)nc3C(F)(F)F)C2)c1 ZINC001457048207 1066751649 /nfs/dbraw/zinc/75/16/49/1066751649.db2.gz TYJKJYZJVIRILP-UHFFFAOYSA-N 0 0 458.278 4.665 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(Br)c1 ZINC001446877735 1066751776 /nfs/dbraw/zinc/75/17/76/1066751776.db2.gz GUQLUPFVGWLXJL-CQSZACIVSA-N 0 0 455.755 4.714 20 0 JJADRN Cc1cc(NC(=O)CCCNC(=O)NC2CCCCC2)nn1-c1ccc(Cl)cc1Cl ZINC001446877294 1066751922 /nfs/dbraw/zinc/75/19/22/1066751922.db2.gz FKAAVNNGDKYTKV-UHFFFAOYSA-N 0 0 452.386 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cnc(Cc4ccccc4F)s3)C2)CC1 ZINC001446880463 1066752482 /nfs/dbraw/zinc/75/24/82/1066752482.db2.gz MYRMWIFBEYODRC-UHFFFAOYSA-N 0 0 459.587 4.736 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457060612 1066752692 /nfs/dbraw/zinc/75/26/92/1066752692.db2.gz AAOQPKNQCHLZHO-JOCHJYFZSA-N 0 0 456.633 4.963 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1Cc1ccccc1 ZINC001446880925 1066752766 /nfs/dbraw/zinc/75/27/66/1066752766.db2.gz PVMKUOVMGPEEMW-JOCHJYFZSA-N 0 0 456.373 4.995 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccccc2F)c1 ZINC001492647884 1066752836 /nfs/dbraw/zinc/75/28/36/1066752836.db2.gz ZQHRWRWBIBWMAG-SFHVURJKSA-N 0 0 451.571 4.877 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)c1 ZINC001492647968 1066752871 /nfs/dbraw/zinc/75/28/71/1066752871.db2.gz CRPXSGDHYDMSMK-UHFFFAOYSA-N 0 0 456.566 4.667 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)c1 ZINC001492647994 1066752894 /nfs/dbraw/zinc/75/28/94/1066752894.db2.gz FGVZTRPBNWEQAU-UHFFFAOYSA-N 0 0 490.073 4.628 20 0 JJADRN Cc1csc(CN(C)c2nnc(CCOc3ccccc3)n2CCc2c(C)noc2C)c1 ZINC001492647985 1066752983 /nfs/dbraw/zinc/75/29/83/1066752983.db2.gz DYHZCZYQSCRSEA-UHFFFAOYSA-N 0 0 451.596 4.753 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc(Br)cn(C2CC2)c1=O ZINC001457061670 1066753181 /nfs/dbraw/zinc/75/31/81/1066753181.db2.gz NLCJOFHNFTUSEX-IBGZPJMESA-N 0 0 451.364 4.702 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001446884314 1066753289 /nfs/dbraw/zinc/75/32/89/1066753289.db2.gz VKQVVNLEYFUHCS-ZRGWGRIASA-N 0 0 456.414 4.724 20 0 JJADRN Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)ccc2OC(F)F)c1 ZINC001492648113 1066753403 /nfs/dbraw/zinc/75/34/03/1066753403.db2.gz KGFUPRCXSISYNS-UHFFFAOYSA-N 0 0 495.983 4.710 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ccccc1 ZINC001457065477 1066753513 /nfs/dbraw/zinc/75/35/13/1066753513.db2.gz BUQQDTSJGKCQBE-NRFANRHFSA-N 0 0 457.412 4.814 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457065678 1066753547 /nfs/dbraw/zinc/75/35/47/1066753547.db2.gz QSQFDTARHZNGEM-MNNVXMFVSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064435 1066753697 /nfs/dbraw/zinc/75/36/97/1066753697.db2.gz FGVSAPKOYRDVSH-ROKPMTFOSA-N 0 0 455.526 4.686 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457064432 1066753724 /nfs/dbraw/zinc/75/37/24/1066753724.db2.gz FGVSAPKOYRDVSH-REHUZNOOSA-N 0 0 455.526 4.686 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001446885998 1066753742 /nfs/dbraw/zinc/75/37/42/1066753742.db2.gz XHYLIWQLZZWRNU-OAQYLSRUSA-N 0 0 459.373 4.757 20 0 JJADRN O=C(NCCSCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001446886708 1066753756 /nfs/dbraw/zinc/75/37/56/1066753756.db2.gz ZYPKEDJQKDGLJU-OAHLLOKOSA-N 0 0 458.455 4.707 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCC[C@H]1C1CCOCC1 ZINC001446886358 1066753818 /nfs/dbraw/zinc/75/38/18/1066753818.db2.gz IPCJZCKPVUBCMM-HNNXBMFYSA-N 0 0 454.135 4.629 20 0 JJADRN Cc1cc(C(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)nn1-c1cc(C)cc(C)c1 ZINC001446885575 1066753847 /nfs/dbraw/zinc/75/38/47/1066753847.db2.gz YMQMNLVMTDVDMH-UHFFFAOYSA-N 0 0 452.599 4.661 20 0 JJADRN C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1ccc(Br)cc1 ZINC001446887221 1066754307 /nfs/dbraw/zinc/75/43/07/1066754307.db2.gz CHPODCRYTZCOSR-GJZGRUSLSA-N 0 0 457.434 4.788 20 0 JJADRN Cc1csc(CN(C)c2nnc(CC3CC3)n2Cc2ccc(I)cc2)c1 ZINC001492648518 1066754430 /nfs/dbraw/zinc/75/44/30/1066754430.db2.gz YRQUCMYYXYUODC-UHFFFAOYSA-N 0 0 478.403 4.890 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001492648507 1066754635 /nfs/dbraw/zinc/75/46/35/1066754635.db2.gz YNGQMSLVJFOITK-UHFFFAOYSA-N 0 0 477.634 4.536 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)c1 ZINC001492648528 1066754648 /nfs/dbraw/zinc/75/46/48/1066754648.db2.gz ZDJKSZDCKMDZDO-UHFFFAOYSA-N 0 0 464.639 4.519 20 0 JJADRN CCc1ccc([C@@H](NC(=O)/C=C/c2ccnc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457068101 1066754638 /nfs/dbraw/zinc/75/46/38/1066754638.db2.gz FZGHHAUKSKJXFU-XJCKULRNSA-N 0 0 454.979 4.620 20 0 JJADRN CSc1nc(C)c(CCC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c(C)n1 ZINC001457069797 1066754691 /nfs/dbraw/zinc/75/46/91/1066754691.db2.gz XJVKZXVYDFUEFB-UHFFFAOYSA-N 0 0 454.640 4.680 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NC[C@@H](Cc3ccccc3)c3ccccc3)o2)cc1 ZINC001457069819 1066754728 /nfs/dbraw/zinc/75/47/28/1066754728.db2.gz XSJQZUFGYJNFAS-JOCHJYFZSA-N 0 0 459.571 4.980 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC001457069187 1066754743 /nfs/dbraw/zinc/75/47/43/1066754743.db2.gz LKGGHCOBTXTVRD-UHFFFAOYSA-N 0 0 451.519 4.566 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545990550 1066754829 /nfs/dbraw/zinc/75/48/29/1066754829.db2.gz UQCBKHZLBKHVQA-PMACEKPBSA-N 0 0 497.631 4.689 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCSC[C@H]2C)n1 ZINC001492648582 1066755056 /nfs/dbraw/zinc/75/50/56/1066755056.db2.gz BINKLJKAXVONNL-GFCCVEGCSA-N 0 0 468.421 4.602 20 0 JJADRN Cc1csc(Cn2c(C(C)C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC001492648561 1066755071 /nfs/dbraw/zinc/75/50/71/1066755071.db2.gz AQJVCGGNNCNYBL-JWTNVVGKSA-N 0 0 460.648 4.581 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)nc21 ZINC001457070647 1066755209 /nfs/dbraw/zinc/75/52/09/1066755209.db2.gz RIOSWTYSQLEEQY-WNGDHGOHSA-N 0 0 482.400 4.699 20 0 JJADRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ncccc1Br ZINC001457073911 1066755218 /nfs/dbraw/zinc/75/52/18/1066755218.db2.gz KUAZGCWWMQANAL-LJQANCHMSA-N 0 0 459.727 4.788 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)cc1 ZINC001446906033 1066755321 /nfs/dbraw/zinc/75/53/21/1066755321.db2.gz DJLUZKNLZJFCHG-RTBURBONSA-N 0 0 458.624 4.638 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2c(C)noc2C)n1 ZINC001492648865 1066755606 /nfs/dbraw/zinc/75/56/06/1066755606.db2.gz KQUXWHHBNSZQKL-UHFFFAOYSA-N 0 0 460.510 4.601 20 0 JJADRN CCOc1cccc(CCC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457074991 1066756304 /nfs/dbraw/zinc/75/63/04/1066756304.db2.gz RIGICJKVZMKURF-SANMLTNESA-N 0 0 451.588 4.636 20 0 JJADRN CC(C)c1ccccc1OCCC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001446910565 1066756383 /nfs/dbraw/zinc/75/63/83/1066756383.db2.gz HWIMFYYBUBBJGQ-IBGZPJMESA-N 0 0 453.583 4.995 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492649284 1066756373 /nfs/dbraw/zinc/75/63/73/1066756373.db2.gz WVOTZYALBANXFY-NSHDSACASA-N 0 0 456.460 4.524 20 0 JJADRN Cc1csc(Cn2c(C(C)C)nnc2N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC001492649326 1066756544 /nfs/dbraw/zinc/75/65/44/1066756544.db2.gz YFVZXBMYXNBOCI-UHFFFAOYSA-N 0 0 462.664 4.688 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001457079081 1066756690 /nfs/dbraw/zinc/75/66/90/1066756690.db2.gz YXZANYWJKCEKFI-NRFANRHFSA-N 0 0 454.958 4.864 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1Cl ZINC001457078098 1066756699 /nfs/dbraw/zinc/75/66/99/1066756699.db2.gz SMKAAYKAAHNWHD-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1csc(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CCOC(C)(C)C)n1 ZINC001492649768 1066757010 /nfs/dbraw/zinc/75/70/10/1066757010.db2.gz OAYACOWOFFFSII-UHFFFAOYSA-N 0 0 452.584 4.665 20 0 JJADRN CCc1ccc([C@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079718 1066757270 /nfs/dbraw/zinc/75/72/70/1066757270.db2.gz UQBBNINXJWJHBK-DEOSSOPVSA-N 0 0 459.970 4.893 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001492649980 1066757486 /nfs/dbraw/zinc/75/74/86/1066757486.db2.gz WLESLSVHCRFMDB-NHYWBVRUSA-N 0 0 475.899 4.707 20 0 JJADRN CN(C)c1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc(Cl)n1 ZINC001457083091 1066757699 /nfs/dbraw/zinc/75/76/99/1066757699.db2.gz YVELTVXWBFCWQT-JOCHJYFZSA-N 0 0 458.345 4.745 20 0 JJADRN CCc1cc(OCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC001457081816 1066757735 /nfs/dbraw/zinc/75/77/35/1066757735.db2.gz XDPXRNOWVMVELR-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN CN(C)c1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc(Cl)n1 ZINC001457083097 1066757786 /nfs/dbraw/zinc/75/77/86/1066757786.db2.gz YVELTVXWBFCWQT-QFIPXVFZSA-N 0 0 458.345 4.745 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)n1 ZINC001492650805 1066757990 /nfs/dbraw/zinc/75/79/90/1066757990.db2.gz UZLKHHUVUVXEOP-SJLPKXTDSA-N 0 0 494.434 4.895 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F ZINC001457085585 1066758184 /nfs/dbraw/zinc/75/81/84/1066758184.db2.gz GRTHUIUXZSKMPZ-NZQKXSOJSA-N 0 0 458.436 4.808 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F ZINC001457085594 1066758319 /nfs/dbraw/zinc/75/83/19/1066758319.db2.gz GRTHUIUXZSKMPZ-OFNKIYASSA-N 0 0 458.436 4.808 20 0 JJADRN Cc1csc(Cn2c(CCCc3ccccc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)n1 ZINC001492651094 1066758409 /nfs/dbraw/zinc/75/84/09/1066758409.db2.gz DXYNIRHGHFYWBY-QHCPKHFHSA-N 0 0 493.599 4.796 20 0 JJADRN Cc1csc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccsc2)n1 ZINC001492651096 1066758434 /nfs/dbraw/zinc/75/84/34/1066758434.db2.gz FAVCUFIXYGMZLJ-CALCHBBNSA-N 0 0 474.656 4.560 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2)C[C@H](C)O1 ZINC001457088993 1066758687 /nfs/dbraw/zinc/75/86/87/1066758687.db2.gz FILDTZTZRYOYPZ-HDICACEKSA-N 0 0 459.428 4.809 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1C ZINC001446963208 1066758586 /nfs/dbraw/zinc/75/85/86/1066758586.db2.gz SVNXKYPFJSRMEI-AWEZNQCLSA-N 0 0 458.653 4.751 20 0 JJADRN Cc1csc(Cn2c(CC3CCCC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492651513 1066758723 /nfs/dbraw/zinc/75/87/23/1066758723.db2.gz UECIUTCJVIDFGZ-LJQANCHMSA-N 0 0 474.675 4.517 20 0 JJADRN Cc1csc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)n1 ZINC001492651432 1066758879 /nfs/dbraw/zinc/75/88/79/1066758879.db2.gz QQNWUIFWVDLSGT-QGZVFWFLSA-N 0 0 459.591 4.593 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)ccc2NC1=O ZINC001457090465 1066759210 /nfs/dbraw/zinc/75/92/10/1066759210.db2.gz JTUMZTYWQGBXFW-OXJNMPFZSA-N 0 0 452.551 4.503 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001446964899 1066759218 /nfs/dbraw/zinc/75/92/18/1066759218.db2.gz PEEQWVVKBRSRGD-WIYYLYMNSA-N 0 0 459.384 4.633 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001492651799 1066759354 /nfs/dbraw/zinc/75/93/54/1066759354.db2.gz CTLZZVXCQGQHGF-UHFFFAOYSA-N 0 0 450.534 4.560 20 0 JJADRN Cc1csc(Cn2c(N3CCO[C@@H](c4ccc(Br)cc4)C3)nnc2C(C)(C)C)n1 ZINC001492652089 1066759744 /nfs/dbraw/zinc/75/97/44/1066759744.db2.gz NYNPRAPNSOSOME-QGZVFWFLSA-N 0 0 476.444 4.729 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001446969455 1066759916 /nfs/dbraw/zinc/75/99/16/1066759916.db2.gz FQTXWWZUCQIRJI-UXHICEINSA-N 0 0 454.615 4.846 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001492652525 1066760243 /nfs/dbraw/zinc/76/02/43/1066760243.db2.gz GSIPMMYZSAUJJG-SFHVURJKSA-N 0 0 485.629 4.670 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC001446975574 1066760270 /nfs/dbraw/zinc/76/02/70/1066760270.db2.gz ZUXJMTQCGQTZOM-UHFFFAOYSA-N 0 0 454.615 4.847 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)ccc2NC1=O ZINC001457094252 1066760290 /nfs/dbraw/zinc/76/02/90/1066760290.db2.gz PDECFHLVAJNXDP-KZULUSFZSA-N 0 0 459.424 4.961 20 0 JJADRN C[S@](=O)(=NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC001457095078 1066760356 /nfs/dbraw/zinc/76/03/56/1066760356.db2.gz CGJUQIVNVFVCNX-UZTOHYMASA-N 0 0 453.377 4.626 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001492652598 1066760317 /nfs/dbraw/zinc/76/03/17/1066760317.db2.gz JAMLYJMVLZJTNB-HSALFYBXSA-N 0 0 490.695 4.711 20 0 JJADRN O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457097235 1066760916 /nfs/dbraw/zinc/76/09/16/1066760916.db2.gz KJBKIWFXRCYZQG-QGZVFWFLSA-N 0 0 451.514 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)C1 ZINC001446982550 1066761453 /nfs/dbraw/zinc/76/14/53/1066761453.db2.gz ZSYMFZOCAWMMPK-NRFANRHFSA-N 0 0 453.970 4.885 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492653576 1066761874 /nfs/dbraw/zinc/76/18/74/1066761874.db2.gz JMNGQKMDRBZKFQ-OAHLLOKOSA-N 0 0 454.493 4.995 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001492653750 1066762272 /nfs/dbraw/zinc/76/22/72/1066762272.db2.gz MGTSJHWTYPVPIM-IBGZPJMESA-N 0 0 483.657 4.805 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2C(F)(F)F)CCO1 ZINC001546087285 1066762356 /nfs/dbraw/zinc/76/23/56/1066762356.db2.gz JKKAVRVXIPDQIR-QFIPXVFZSA-N 0 0 464.488 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC001457101529 1066762430 /nfs/dbraw/zinc/76/24/30/1066762430.db2.gz MABJBCSNVMAGQI-ZOKDDAQRSA-N 0 0 458.914 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)c2ccccc21 ZINC001457101634 1066762501 /nfs/dbraw/zinc/76/25/01/1066762501.db2.gz JKJSOABCMJTAOD-MAUKXSAKSA-N 0 0 458.505 4.704 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001492654014 1066762911 /nfs/dbraw/zinc/76/29/11/1066762911.db2.gz RIWHYCYPHJSXKJ-UHFFFAOYSA-N 0 0 472.058 4.901 20 0 JJADRN Cc1cscc1Cn1c(CC(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001492654010 1066763022 /nfs/dbraw/zinc/76/30/22/1066763022.db2.gz RIUJQENYFFALLO-UHFFFAOYSA-N 0 0 465.667 4.566 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446990353 1066762979 /nfs/dbraw/zinc/76/29/79/1066762979.db2.gz MYEXJFSGUOSDSO-NEPJUHHUSA-N 0 0 451.778 4.882 20 0 JJADRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001446990705 1066763071 /nfs/dbraw/zinc/76/30/71/1066763071.db2.gz OQDIYLAVWTXIOG-HKUYNNGSSA-N 0 0 455.640 4.517 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(C)C)CC1 ZINC001492654200 1066763375 /nfs/dbraw/zinc/76/33/75/1066763375.db2.gz UBBZMWXKBXXTAF-NRFANRHFSA-N 0 0 489.686 4.877 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC001457105308 1066763432 /nfs/dbraw/zinc/76/34/32/1066763432.db2.gz XQBCYSLGXCPDBG-MCCGJVOXSA-N 0 0 454.135 4.531 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCCCO ZINC001492654317 1066763840 /nfs/dbraw/zinc/76/38/40/1066763840.db2.gz RPHBMWSFOSKNQS-UHFFFAOYSA-N 0 0 467.408 4.864 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001492654545 1066763895 /nfs/dbraw/zinc/76/38/95/1066763895.db2.gz WKMCNMJABYJIDC-GOSISDBHSA-N 0 0 469.630 4.880 20 0 JJADRN Cc1cscc1Cn1c(-c2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001492654651 1066764185 /nfs/dbraw/zinc/76/41/85/1066764185.db2.gz XVNDNLTUHMPGLC-UHFFFAOYSA-N 0 0 468.627 4.642 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)s1 ZINC001492654729 1066764213 /nfs/dbraw/zinc/76/42/13/1066764213.db2.gz AEHDEOAPKKGFSC-IBGZPJMESA-N 0 0 455.628 4.578 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001447002131 1066764640 /nfs/dbraw/zinc/76/46/40/1066764640.db2.gz DNEIREIGAUTWCH-UHFFFAOYSA-N 0 0 450.608 4.596 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCSc1ccc(Br)cc1 ZINC001446998040 1066764651 /nfs/dbraw/zinc/76/46/51/1066764651.db2.gz WXYDAMDFYVDLHL-CABCVRRESA-N 0 0 457.434 4.788 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492654920 1066764803 /nfs/dbraw/zinc/76/48/03/1066764803.db2.gz HAYMRMPYYSXEFO-UHFFFAOYSA-N 0 0 461.035 4.562 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)Nc1ncc(-c2cccc(F)c2)s1 ZINC001457111574 1066764831 /nfs/dbraw/zinc/76/48/31/1066764831.db2.gz YGCRDSJJZYBNPD-UHFFFAOYSA-N 0 0 454.508 4.545 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001492654944 1066764857 /nfs/dbraw/zinc/76/48/57/1066764857.db2.gz HSEPQNCJLJBRBW-UHFFFAOYSA-N 0 0 470.549 4.894 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC001457112515 1066764882 /nfs/dbraw/zinc/76/48/82/1066764882.db2.gz IFFIEXBYGVDWRS-LJAQVGFWSA-N 0 0 450.391 4.556 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cc(C(F)(F)F)ccc1N)CC2 ZINC001457113222 1066764887 /nfs/dbraw/zinc/76/48/87/1066764887.db2.gz HGIPOTIXWBVZSZ-SFHVURJKSA-N 0 0 455.521 4.785 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cc(C(F)(F)F)ccc1N)CC2 ZINC001457113220 1066764906 /nfs/dbraw/zinc/76/49/06/1066764906.db2.gz HGIPOTIXWBVZSZ-GOSISDBHSA-N 0 0 455.521 4.785 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)ccc1S(N)(=O)=O ZINC001447006208 1066765047 /nfs/dbraw/zinc/76/50/47/1066765047.db2.gz DPUZXSCXJFKYAZ-PKOBYXMFSA-N 0 0 454.514 4.508 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC001457113848 1066765289 /nfs/dbraw/zinc/76/52/89/1066765289.db2.gz PAADXWPUAWAOTC-HXUWFJFHSA-N 0 0 452.555 4.900 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cc(O)ccc1C(F)(F)F)CC2 ZINC001457114512 1066765361 /nfs/dbraw/zinc/76/53/61/1066765361.db2.gz JIHQSNNYTGFHKI-GOSISDBHSA-N 0 0 456.505 4.909 20 0 JJADRN Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)s1 ZINC001492655222 1066765867 /nfs/dbraw/zinc/76/58/67/1066765867.db2.gz NGNKDTHIMBQWKM-UHFFFAOYSA-N 0 0 453.656 4.539 20 0 JJADRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1ccnc(N(C)C)c1 ZINC001457117369 1066765935 /nfs/dbraw/zinc/76/59/35/1066765935.db2.gz ZDPMBJFIZXZONY-UHFFFAOYSA-N 0 0 456.384 4.993 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3nc(C(C)(C)C)sc3c1)C2=O ZINC001457115488 1066766031 /nfs/dbraw/zinc/76/60/31/1066766031.db2.gz SYQDVDWZPKNYTA-SHACYNPGSA-N 0 0 456.612 4.669 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CC2)s1 ZINC001492654861 1066766368 /nfs/dbraw/zinc/76/63/68/1066766368.db2.gz FMXBDGYUJHEOEJ-UHFFFAOYSA-N 0 0 450.381 4.761 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N(Cc1cccs1)Cc1ccncc1 ZINC001457119924 1066766599 /nfs/dbraw/zinc/76/65/99/1066766599.db2.gz DBYKONHEXIGIKW-UHFFFAOYSA-N 0 0 450.589 4.644 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC001492655561 1066766819 /nfs/dbraw/zinc/76/68/19/1066766819.db2.gz JPWAGXLMHIWJCJ-HNNXBMFYSA-N 0 0 479.469 4.980 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001492655582 1066766830 /nfs/dbraw/zinc/76/68/30/1066766830.db2.gz JYVVJMOSGKFYLW-TYPHKJRUSA-N 0 0 489.686 4.718 20 0 JJADRN Cc1cscc1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001492655516 1066766947 /nfs/dbraw/zinc/76/69/47/1066766947.db2.gz JADLXLRCCDIMEV-UHFFFAOYSA-N 0 0 459.566 4.782 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)CC2)c(C)c1 ZINC001457122184 1066766995 /nfs/dbraw/zinc/76/69/95/1066766995.db2.gz YIPBFZMBNCDPFH-UHFFFAOYSA-N 0 0 454.514 4.670 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)C(C)C)cc1 ZINC001457123991 1066767030 /nfs/dbraw/zinc/76/70/30/1066767030.db2.gz HSUIBGIXQOOQGQ-HHHXNRCGSA-N 0 0 458.558 4.913 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1Cl)c1occc1CN1C(=O)Cc2ccccc21 ZINC001447022787 1066767437 /nfs/dbraw/zinc/76/74/37/1066767437.db2.gz CVRSNTADQAVXHQ-UHFFFAOYSA-N 0 0 459.329 4.622 20 0 JJADRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001457123730 1066767644 /nfs/dbraw/zinc/76/76/44/1066767644.db2.gz IMTHHMNJAUEDAO-UHFFFAOYSA-N 0 0 459.291 4.815 20 0 JJADRN CCOC(=O)C1(CC(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)CCOCC1 ZINC001457124168 1066767653 /nfs/dbraw/zinc/76/76/53/1066767653.db2.gz INHYEZLKLRWNJQ-UHFFFAOYSA-N 0 0 453.579 4.849 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492655868 1066767924 /nfs/dbraw/zinc/76/79/24/1066767924.db2.gz ZVYVEBQOVDESDP-WMZOPIPTSA-N 0 0 476.046 4.860 20 0 JJADRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001457127282 1066768181 /nfs/dbraw/zinc/76/81/81/1066768181.db2.gz DZARLZYEVXVROC-IZQPNQBMSA-N 0 0 455.526 4.624 20 0 JJADRN O=C(c1cc(C2CC2)cnc1Cl)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001447035159 1066768604 /nfs/dbraw/zinc/76/86/04/1066768604.db2.gz YHYFWKZIURMCEZ-UHFFFAOYSA-N 0 0 454.876 4.721 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC001457129044 1066768802 /nfs/dbraw/zinc/76/88/02/1066768802.db2.gz VPQKYXIREOQVFQ-INIZCTEOSA-N 0 0 450.970 4.639 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)s1 ZINC001492656554 1066768888 /nfs/dbraw/zinc/76/88/88/1066768888.db2.gz BSJSIHXOLQCFPH-UHFFFAOYSA-N 0 0 453.015 4.870 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CC[C@@H](COCc3ccccc3)C2)s1 ZINC001492656486 1066768897 /nfs/dbraw/zinc/76/88/97/1066768897.db2.gz JJELNZBTAYOIEQ-JOCHJYFZSA-N 0 0 453.656 4.836 20 0 JJADRN C[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)c1nc(-c2ccccc2)no1 ZINC001447047832 1066769188 /nfs/dbraw/zinc/76/91/88/1066769188.db2.gz BNHWLLHDKUTJPA-FXAWDEMLSA-N 0 0 456.587 4.820 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001457130935 1066769118 /nfs/dbraw/zinc/76/91/18/1066769118.db2.gz UCIPTCLDLALNCF-HKBQPEDESA-N 0 0 453.951 4.795 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001457133085 1066769208 /nfs/dbraw/zinc/76/92/08/1066769208.db2.gz ZPRYCOLJUCUEEF-LPHOPBHVSA-N 0 0 450.485 4.871 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(OC(F)F)c(Br)c1)c1nc(-c2ccccc2)no1 ZINC001447053095 1066769517 /nfs/dbraw/zinc/76/95/17/1066769517.db2.gz NLYRWLDSHZMKRT-NSHDSACASA-N 0 0 452.255 4.634 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(Br)c2)s1 ZINC001492656618 1066769539 /nfs/dbraw/zinc/76/95/39/1066769539.db2.gz KJDIMMSNVOYHGG-GOSISDBHSA-N 0 0 490.471 4.887 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001457134439 1066769692 /nfs/dbraw/zinc/76/96/92/1066769692.db2.gz KYLOYLFUTRDDCG-AWEZNQCLSA-N 0 0 451.432 4.591 20 0 JJADRN CCC[C@](C)(NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccccc1 ZINC001457134302 1066769699 /nfs/dbraw/zinc/76/96/99/1066769699.db2.gz XYPVSJIBEYMDRG-SANMLTNESA-N 0 0 450.604 4.919 20 0 JJADRN COc1ccc(CN(CCO)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c(OC)c1 ZINC001447052881 1066769740 /nfs/dbraw/zinc/76/97/40/1066769740.db2.gz GLKIGINIIAJNAU-UHFFFAOYSA-N 0 0 451.485 4.556 20 0 JJADRN Cc1nc(C)c(CCn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492657049 1066769935 /nfs/dbraw/zinc/76/99/35/1066769935.db2.gz QIFZCBWPSFZLLL-UHFFFAOYSA-N 0 0 456.616 4.725 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCO3)nnc2N(C)CCc2ccc(Br)cc2)s1 ZINC001492656928 1066770012 /nfs/dbraw/zinc/77/00/12/1066770012.db2.gz IMIYLVQFZOSALQ-LJQANCHMSA-N 0 0 490.471 4.887 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C)CCOCC2)CCO1 ZINC001546087067 1066770101 /nfs/dbraw/zinc/77/01/01/1066770101.db2.gz FDVWWHVTSYTZSM-SANMLTNESA-N 0 0 472.630 4.563 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC001457135369 1066770158 /nfs/dbraw/zinc/77/01/58/1066770158.db2.gz PAZRGWPYPOJVBQ-UHFFFAOYSA-N 0 0 456.686 4.682 20 0 JJADRN Cc1cccc(Oc2ccccc2C(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001447066243 1066770230 /nfs/dbraw/zinc/77/02/30/1066770230.db2.gz FBJFXEQKVCWRHY-DEOSSOPVSA-N 0 0 450.966 4.932 20 0 JJADRN COC(=O)C1(C2(O)CCN(C(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)CC2)CCC1 ZINC001457138181 1066770410 /nfs/dbraw/zinc/77/04/10/1066770410.db2.gz LCDKDUGNTAMVJK-HMJCTCJJSA-N 0 0 480.432 4.889 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC001457137562 1066770478 /nfs/dbraw/zinc/77/04/78/1066770478.db2.gz XCWXJOCGDILCCT-UHFFFAOYSA-N 0 0 453.489 4.738 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(C(F)F)cc2)c2ccc(F)c(F)c2)c1 ZINC001457137846 1066770516 /nfs/dbraw/zinc/77/05/16/1066770516.db2.gz RBNGDSOVJZDGNI-HXUWFJFHSA-N 0 0 451.441 4.825 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001447068991 1066770883 /nfs/dbraw/zinc/77/08/83/1066770883.db2.gz JAHSDPOTNSOFJM-VFNWGFHPSA-N 0 0 455.813 4.703 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CCN([C@H](C)c3ccc(F)cc3F)CC2)s1 ZINC001492657629 1066771136 /nfs/dbraw/zinc/77/11/36/1066771136.db2.gz YMJGUNGGPFXEJE-GOSISDBHSA-N 0 0 488.652 4.954 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC001447077427 1066771359 /nfs/dbraw/zinc/77/13/59/1066771359.db2.gz YGILKBUJQIYXPM-UHFFFAOYSA-N 0 0 454.552 4.569 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC001447071581 1066771383 /nfs/dbraw/zinc/77/13/83/1066771383.db2.gz OPNZJZSVHSFHMB-UHFFFAOYSA-N 0 0 454.530 4.995 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1C ZINC001447070356 1066771436 /nfs/dbraw/zinc/77/14/36/1066771436.db2.gz MRKUWOCTGILVAY-KRWDZBQOSA-N 0 0 458.990 4.769 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545992305 1066771456 /nfs/dbraw/zinc/77/14/56/1066771456.db2.gz HJPNWBKLIHKVTO-PXNSSMCTSA-N 0 0 473.618 4.576 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)s1 ZINC001492657796 1066771872 /nfs/dbraw/zinc/77/18/72/1066771872.db2.gz ASWDKSYSGMSBDX-UHFFFAOYSA-N 0 0 452.628 4.749 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001492658175 1066772555 /nfs/dbraw/zinc/77/25/55/1066772555.db2.gz NMJJYSCCHZGMNX-OAHLLOKOSA-N 0 0 486.617 4.651 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2cc(C)cc(C)c2)CCO1 ZINC001546087228 1066772562 /nfs/dbraw/zinc/77/25/62/1066772562.db2.gz IPZQMLAUNQJQEP-DEOSSOPVSA-N 0 0 455.990 4.695 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)C1 ZINC001447099111 1066772793 /nfs/dbraw/zinc/77/27/93/1066772793.db2.gz DJTQNHGDHJYRDX-UHFFFAOYSA-N 0 0 451.354 4.729 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@H]2C)s1 ZINC001492658396 1066773016 /nfs/dbraw/zinc/77/30/16/1066773016.db2.gz QQULFVKRBXINPX-NSHDSACASA-N 0 0 450.381 4.957 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccnc2OCCOC)CCO1 ZINC001546087552 1066773153 /nfs/dbraw/zinc/77/31/53/1066773153.db2.gz OALWHBRRFWIXFB-MUUNZHRXSA-N 0 0 493.652 4.716 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1 ZINC001457146955 1066773162 /nfs/dbraw/zinc/77/31/62/1066773162.db2.gz DRQZYIJCNJAUBW-CYBMUJFWSA-N 0 0 456.474 4.722 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)cc1 ZINC001447102478 1066773212 /nfs/dbraw/zinc/77/32/12/1066773212.db2.gz LDMLDXNRSJSJCQ-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN O=C([C@@H]1CC[C@H](Cc2ccccc2)O1)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447103245 1066773270 /nfs/dbraw/zinc/77/32/70/1066773270.db2.gz BTRIOKSFIJFEGL-HKBOAZHASA-N 0 0 461.343 4.745 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)/C=C\c3ccccc3OCc3ccccc3)CC2)n1 ZINC001457150736 1066773548 /nfs/dbraw/zinc/77/35/48/1066773548.db2.gz SRBOJJNHWDHGQC-NXVVXOECSA-N 0 0 457.574 4.858 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc(I)cc3)co2)ccn1 ZINC001447105759 1066773800 /nfs/dbraw/zinc/77/38/00/1066773800.db2.gz GFFFIPCDAONAMW-GOSISDBHSA-N 0 0 459.287 4.627 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)NCc3ccnc(Oc4cccc(C)c4C)c3)CCC2=O)c1 ZINC001457149507 1066773704 /nfs/dbraw/zinc/77/37/04/1066773704.db2.gz MEXXWCNYZMHAFA-UHFFFAOYSA-N 0 0 456.546 4.907 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492659130 1066774694 /nfs/dbraw/zinc/77/46/94/1066774694.db2.gz RGPXRVODCXMGRA-FQEVSTJZSA-N 0 0 452.628 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CN(C(=O)C(C)(C)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC001457154284 1066774800 /nfs/dbraw/zinc/77/48/00/1066774800.db2.gz SFWIEJWCZMGHBH-UHFFFAOYSA-N 0 0 457.398 4.868 20 0 JJADRN O=C(C[C@@H](O)c1cccc(F)c1)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001447111218 1066774922 /nfs/dbraw/zinc/77/49/22/1066774922.db2.gz RQYKPFZAFQEGRM-OAHLLOKOSA-N 0 0 451.119 4.514 20 0 JJADRN COc1ccc(CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](CO)C(C)C)cc1 ZINC001447111210 1066774975 /nfs/dbraw/zinc/77/49/75/1066774975.db2.gz RKPMPTHLEORCFU-JOCHJYFZSA-N 0 0 458.555 4.529 20 0 JJADRN Nc1cc(F)c(Cl)cc1C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001447110175 1066774996 /nfs/dbraw/zinc/77/49/96/1066774996.db2.gz QFBQZIBZMZKIRA-UHFFFAOYSA-N 0 0 456.526 4.939 20 0 JJADRN CC1(C)CC(C)(C)c2cc(NC(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OCc3ccccc3)ccc21 ZINC001447109903 1066775037 /nfs/dbraw/zinc/77/50/37/1066775037.db2.gz OVEKHWNNTPABTP-CCLHPLFOSA-N 0 0 450.579 4.746 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cc1 ZINC001447111980 1066775071 /nfs/dbraw/zinc/77/50/71/1066775071.db2.gz SCDFNJRYYGIEBX-BJKOFHAPSA-N 0 0 456.652 4.847 20 0 JJADRN Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC001492659249 1066775120 /nfs/dbraw/zinc/77/51/20/1066775120.db2.gz VOCOTLBZXNHTLA-UHFFFAOYSA-N 0 0 473.046 4.529 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001492659336 1066775140 /nfs/dbraw/zinc/77/51/40/1066775140.db2.gz YLQFIINIIOIFPN-PJFSTRORSA-N 0 0 499.534 4.835 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001492659220 1066775158 /nfs/dbraw/zinc/77/51/58/1066775158.db2.gz UWHACYSATCHBHX-DIFFPNOSSA-N 0 0 496.862 4.690 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](CO)C(C)C)cc1 ZINC001447113081 1066775492 /nfs/dbraw/zinc/77/54/92/1066775492.db2.gz ZSIKHQDLEJYOGS-HSZRJFAPSA-N 0 0 456.583 4.630 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC001447112502 1066775510 /nfs/dbraw/zinc/77/55/10/1066775510.db2.gz NNCWNUZMBQQMGT-GOSISDBHSA-N 0 0 454.617 4.854 20 0 JJADRN C[C@@H](C(=O)NCC1(c2ccccc2Cl)CCCCC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001447113020 1066775679 /nfs/dbraw/zinc/77/56/79/1066775679.db2.gz ZJYGQTVJZBOGGJ-YLJYHZDGSA-N 0 0 453.023 4.522 20 0 JJADRN CS[C@H]1CC[C@H](NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001457161333 1066776365 /nfs/dbraw/zinc/77/63/65/1066776365.db2.gz HKWVNMXAXGJBBH-IRXDYDNUSA-N 0 0 452.498 4.737 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(F)cc(F)c3)CC2)s1 ZINC001492659525 1066776351 /nfs/dbraw/zinc/77/63/51/1066776351.db2.gz DICJKIPJSMBSGD-UHFFFAOYSA-N 0 0 460.598 4.593 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)s1 ZINC001492659657 1066776401 /nfs/dbraw/zinc/77/64/01/1066776401.db2.gz IQSACECNEWOSQH-UHFFFAOYSA-N 0 0 462.392 4.619 20 0 JJADRN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447116886 1066776353 /nfs/dbraw/zinc/77/63/53/1066776353.db2.gz XOHSDRWKUDTLCT-LJQANCHMSA-N 0 0 455.299 4.726 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)Nc2cccc(CN3CCOCC3)n2)cc(C(C)(C)C)c1O ZINC001447123522 1066776718 /nfs/dbraw/zinc/77/67/18/1066776718.db2.gz OOJKVBDZDQNUAJ-UHFFFAOYSA-N 0 0 453.627 4.786 20 0 JJADRN CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545992835 1066776874 /nfs/dbraw/zinc/77/68/74/1066776874.db2.gz NVEDOGBVUUZJSM-WIYYLYMNSA-N 0 0 473.618 4.576 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492659840 1066776987 /nfs/dbraw/zinc/77/69/87/1066776987.db2.gz LMHIGPNZEVELKO-QGZVFWFLSA-N 0 0 462.623 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(C)(C)Sc1ccc(Br)cc1)C1CC1 ZINC001447138097 1066777303 /nfs/dbraw/zinc/77/73/03/1066777303.db2.gz WGOWHBHOOQVILY-INIZCTEOSA-N 0 0 457.434 4.739 20 0 JJADRN Cc1nc(-c2ccc(Cn3c(Cc4csc(C)n4)nnc3N(CC(C)C)C(C)C)cc2)n[nH]1 ZINC001492660430 1066777313 /nfs/dbraw/zinc/77/73/13/1066777313.db2.gz NUTBCVWGMUJXCQ-UHFFFAOYSA-N 0 0 464.643 4.646 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC001457165227 1066777470 /nfs/dbraw/zinc/77/74/70/1066777470.db2.gz BAUVIIAOYHFCKR-NRFANRHFSA-N 0 0 454.523 4.765 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)s1 ZINC001492660308 1066777547 /nfs/dbraw/zinc/77/75/47/1066777547.db2.gz RZBKAMOSLPCSRU-UHFFFAOYSA-N 0 0 462.623 4.809 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(COC)CCC2)CCO1 ZINC001546087941 1066777604 /nfs/dbraw/zinc/77/76/04/1066777604.db2.gz WRCJZHVYZOMMAC-QHCPKHFHSA-N 0 0 463.022 4.819 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001457166872 1066778025 /nfs/dbraw/zinc/77/80/25/1066778025.db2.gz USGQDQUGHKBSLF-IRXDYDNUSA-N 0 0 451.350 4.679 20 0 JJADRN CCCc1nc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)nn1-c1ccccc1Cl ZINC001457165789 1066778060 /nfs/dbraw/zinc/77/80/60/1066778060.db2.gz DBTJUFOCYLIFQF-UHFFFAOYSA-N 0 0 454.958 4.759 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1csc(I)n1 ZINC001457165984 1066778221 /nfs/dbraw/zinc/77/82/21/1066778221.db2.gz GRGZGHQWMWINNJ-UHFFFAOYSA-N 0 0 457.680 4.841 20 0 JJADRN CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)C1 ZINC001447159584 1066778559 /nfs/dbraw/zinc/77/85/59/1066778559.db2.gz KBSQWHGNABAIKU-GFCCVEGCSA-N 0 0 452.299 4.668 20 0 JJADRN Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c[nH]c1=O ZINC001447159352 1066778709 /nfs/dbraw/zinc/77/87/09/1066778709.db2.gz IFJHGHMTPWNDAY-DEOSSOPVSA-N 0 0 459.546 4.988 20 0 JJADRN Cc1nc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2Cl)s1 ZINC001492660721 1066778718 /nfs/dbraw/zinc/77/87/18/1066778718.db2.gz SMHGVAGGCSXMPI-UHFFFAOYSA-N 0 0 487.054 4.681 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1C(=O)OC ZINC001457169975 1066779049 /nfs/dbraw/zinc/77/90/49/1066779049.db2.gz FYRDAXIQDOXCHM-OAQYLSRUSA-N 0 0 453.878 4.672 20 0 JJADRN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)C1 ZINC001447159589 1066779110 /nfs/dbraw/zinc/77/91/10/1066779110.db2.gz KBSQWHGNABAIKU-LBPRGKRZSA-N 0 0 452.299 4.668 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)n2)c1 ZINC001457169714 1066779145 /nfs/dbraw/zinc/77/91/45/1066779145.db2.gz MREGWPYAFUZPRK-LLVKDONJSA-N 0 0 456.861 4.992 20 0 JJADRN C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC001457171027 1066779734 /nfs/dbraw/zinc/77/97/34/1066779734.db2.gz JQPICVTWLBFUFR-ZDUSSCGKSA-N 0 0 451.404 4.876 20 0 JJADRN O=C(Cc1ccc(-n2cnnc2)cc1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001457170721 1066779757 /nfs/dbraw/zinc/77/97/57/1066779757.db2.gz UTDRAGNLLJWTDU-UHFFFAOYSA-N 0 0 453.384 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2C[C@@H]2CCCSC2)cs1 ZINC001492661141 1066779759 /nfs/dbraw/zinc/77/97/59/1066779759.db2.gz DLRZOZKGRAXOTO-PXNSSMCTSA-N 0 0 471.696 4.940 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3)n2CCCN(C)CC(F)(F)F)cs1 ZINC001492661186 1066780202 /nfs/dbraw/zinc/78/02/02/1066780202.db2.gz FOUCPPPVCSPLGA-MRXNPFEDSA-N 0 0 466.577 4.715 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H]2CCO[C@H]2C(C)C)cs1 ZINC001492661216 1066780288 /nfs/dbraw/zinc/78/02/88/1066780288.db2.gz GEKJHFKNTTZGHQ-ICPLQIHGSA-N 0 0 455.628 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)cs1 ZINC001492661214 1066780316 /nfs/dbraw/zinc/78/03/16/1066780316.db2.gz GEKJHFKNTTZGHQ-BVZALQNUSA-N 0 0 455.628 4.598 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1SCc1cn2ccccc2n1 ZINC001447176650 1066780821 /nfs/dbraw/zinc/78/08/21/1066780821.db2.gz SZXYMEQZGFTQQY-HXUWFJFHSA-N 0 0 455.942 4.883 20 0 JJADRN Cc1c(Br)scc1C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001457180159 1066781194 /nfs/dbraw/zinc/78/11/94/1066781194.db2.gz VNSPAZLAYOGYID-UHFFFAOYSA-N 0 0 454.342 4.536 20 0 JJADRN C[C@@](O)(CNC(=O)c1cccc(OCc2ccccc2Br)c1)c1ccc(F)cc1 ZINC001447192564 1066781270 /nfs/dbraw/zinc/78/12/70/1066781270.db2.gz HEHGDSUYPNWIFS-HSZRJFAPSA-N 0 0 458.327 4.805 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC(=O)NC2CCCCC2)cs1 ZINC001492661747 1066781403 /nfs/dbraw/zinc/78/14/03/1066781403.db2.gz LSIHACNZUDQBAR-HNNXBMFYSA-N 0 0 488.608 4.558 20 0 JJADRN C[C@H](OC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457183705 1066781765 /nfs/dbraw/zinc/78/17/65/1066781765.db2.gz HUTCMJJRQKVCFJ-NLZINVLXSA-N 0 0 451.954 4.783 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)c2ccc(OC)cc2OC)cc1 ZINC001457186060 1066781848 /nfs/dbraw/zinc/78/18/48/1066781848.db2.gz FWQQSDSMRUHSFW-OAHLLOKOSA-N 0 0 452.482 4.595 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2cccc(Cn3cncn3)c2)c2ccc(F)c(F)c2)c1 ZINC001457187076 1066782333 /nfs/dbraw/zinc/78/23/33/1066782333.db2.gz AJHRNITYNQGGBU-QHCPKHFHSA-N 0 0 450.514 4.846 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2Cc2c(C)nn(C)c2C)cs1 ZINC001492662328 1066782328 /nfs/dbraw/zinc/78/23/28/1066782328.db2.gz RJBGQQOYMOCIRX-CQSZACIVSA-N 0 0 471.581 4.508 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC001447209788 1066782796 /nfs/dbraw/zinc/78/27/96/1066782796.db2.gz VHESWQIZSMDFEG-HNNXBMFYSA-N 0 0 455.967 4.560 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CCc2cccs2)cs1 ZINC001492662670 1066782994 /nfs/dbraw/zinc/78/29/94/1066782994.db2.gz WTQOYJCMFAWEKA-MWOWJKGTSA-N 0 0 485.704 4.873 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC2(C)CCCC2)cs1 ZINC001492662900 1066782999 /nfs/dbraw/zinc/78/29/99/1066782999.db2.gz ZLKWASSIASWFFX-KRWDZBQOSA-N 0 0 487.695 4.815 20 0 JJADRN CCN(C(=O)[C@H](C)Oc1ccccc1Cc1ccccc1)c1ccccc1S(=O)(=O)CC ZINC001457191736 1066783301 /nfs/dbraw/zinc/78/33/01/1066783301.db2.gz MUOHNIZXAOOURW-FQEVSTJZSA-N 0 0 451.588 4.891 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCOc2ncccc2Cl)cs1 ZINC001492663653 1066783323 /nfs/dbraw/zinc/78/33/23/1066783323.db2.gz GEGWRHDLFYCYQQ-MAUKXSAKSA-N 0 0 461.035 4.776 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)O[C@@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c1 ZINC001457191874 1066783438 /nfs/dbraw/zinc/78/34/38/1066783438.db2.gz NRJNYNBYXBGVAF-DJJJIMSYSA-N 0 0 457.832 4.557 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC001457191655 1066783458 /nfs/dbraw/zinc/78/34/58/1066783458.db2.gz DLGGHMNOYIVNFQ-QGZVFWFLSA-N 0 0 454.571 4.771 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC001545993825 1066783368 /nfs/dbraw/zinc/78/33/68/1066783368.db2.gz GGLDDOYUIBYDJZ-UHFFFAOYSA-N 0 0 454.548 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@@H](F)C2)cs1 ZINC001492663456 1066783440 /nfs/dbraw/zinc/78/34/40/1066783440.db2.gz AASPAMUAZOLUSS-QZTJIDSGSA-N 0 0 492.665 4.608 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCCCC3)n2CCCCn2cc(Br)cn2)cs1 ZINC001492663848 1066784073 /nfs/dbraw/zinc/78/40/73/1066784073.db2.gz LXYXUBBWMHQWOZ-UHFFFAOYSA-N 0 0 492.491 4.842 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CCSc1ccccc1Br ZINC001447235945 1066784355 /nfs/dbraw/zinc/78/43/55/1066784355.db2.gz ZARUKCUKBMUAQY-KRWDZBQOSA-N 0 0 450.398 4.612 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492664270 1066784518 /nfs/dbraw/zinc/78/45/18/1066784518.db2.gz HIEOLZWLCOEHEF-KGLIPLIRSA-N 0 0 471.656 4.739 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cn3cc(Cl)cc(Cl)c3n2)cs1 ZINC001492664212 1066784530 /nfs/dbraw/zinc/78/45/30/1066784530.db2.gz FOQDAONHVQMDGP-UHFFFAOYSA-N 0 0 490.342 4.635 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCc2ccc(Cl)s2)cs1 ZINC001492664545 1066784991 /nfs/dbraw/zinc/78/49/91/1066784991.db2.gz MMVKEXVWEDINSP-UHFFFAOYSA-N 0 0 476.075 4.578 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492664507 1066785069 /nfs/dbraw/zinc/78/50/69/1066785069.db2.gz LWETUCJHBCVXJA-NSHDSACASA-N 0 0 499.613 4.854 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2N2CCCCC2)cs1 ZINC001492665193 1066785380 /nfs/dbraw/zinc/78/53/80/1066785380.db2.gz ZVDCYMLICCCYGD-UHFFFAOYSA-N 0 0 464.561 4.671 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@@]2(C)CCCS2)cs1 ZINC001492665052 1066785579 /nfs/dbraw/zinc/78/55/79/1066785579.db2.gz VILBHNCRARSXOM-XMMPIXPASA-N 0 0 484.695 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3F)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492665285 1066786224 /nfs/dbraw/zinc/78/62/24/1066786224.db2.gz CTHIVPRXSKEBBX-UHFFFAOYSA-N 0 0 488.633 4.666 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cs1 ZINC001492665385 1066786622 /nfs/dbraw/zinc/78/66/22/1066786622.db2.gz GYKPYDVZGOTHKQ-PGRDOPGGSA-N 0 0 454.644 4.507 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCc2ccncc2)cs1 ZINC001492665311 1066786799 /nfs/dbraw/zinc/78/67/99/1066786799.db2.gz DHXVKRVTIRRPCJ-UHFFFAOYSA-N 0 0 472.540 4.927 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@H]2C)cs1 ZINC001492665553 1066787140 /nfs/dbraw/zinc/78/71/40/1066787140.db2.gz NAZNNUSLVQNQPV-QAPCUYQASA-N 0 0 477.581 4.544 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001457200747 1066787178 /nfs/dbraw/zinc/78/71/78/1066787178.db2.gz QUJIDAFWYGPKFL-GOSISDBHSA-N 0 0 452.860 4.582 20 0 JJADRN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001457201757 1066787222 /nfs/dbraw/zinc/78/72/22/1066787222.db2.gz FTWUPGSZCHEEIU-NRFANRHFSA-N 0 0 451.654 4.511 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001457200558 1066787246 /nfs/dbraw/zinc/78/72/46/1066787246.db2.gz ODQJOEXZUMXTGT-LJQANCHMSA-N 0 0 459.384 4.661 20 0 JJADRN COc1ccc(/C=C(\C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c2cccs2)cc1 ZINC001457200821 1066787320 /nfs/dbraw/zinc/78/73/20/1066787320.db2.gz RBDUXFKVBOKJJI-URBQWANRSA-N 0 0 452.963 4.872 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc(Br)ccc1O ZINC001447277837 1066787411 /nfs/dbraw/zinc/78/74/11/1066787411.db2.gz NYOBPFIZTJUONZ-QFIPXVFZSA-N 0 0 455.352 4.630 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457201807 1066787700 /nfs/dbraw/zinc/78/77/00/1066787700.db2.gz SAMRHBVRHSYFMV-NHCUHLMSSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC001457201951 1066787815 /nfs/dbraw/zinc/78/78/15/1066787815.db2.gz QLNICQSSXSZTPX-DEOSSOPVSA-N 0 0 455.558 4.672 20 0 JJADRN C[C@@H]1CCCN(C(=O)CSc2ccc(Br)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457202565 1066787825 /nfs/dbraw/zinc/78/78/25/1066787825.db2.gz SXOVDYWEDZTHGI-PBHICJAKSA-N 0 0 457.434 4.693 20 0 JJADRN O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC001447292328 1066788720 /nfs/dbraw/zinc/78/87/20/1066788720.db2.gz RTCHOQQLXBZDED-UHFFFAOYSA-N 0 0 453.336 4.799 20 0 JJADRN Cc1cccn2cc(CCNC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)nc12 ZINC001457207681 1066789765 /nfs/dbraw/zinc/78/97/65/1066789765.db2.gz KGZFAHNPDUOLAG-UHFFFAOYSA-N 0 0 451.324 4.565 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1OC ZINC001457206293 1066789939 /nfs/dbraw/zinc/78/99/39/1066789939.db2.gz GZTOYAWRJYNCFO-GOSISDBHSA-N 0 0 451.350 4.716 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2O)c1 ZINC001447306577 1066789916 /nfs/dbraw/zinc/78/99/16/1066789916.db2.gz IOBOFWANJNVDRM-QFIPXVFZSA-N 0 0 456.336 4.539 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2csc(N3CCCCC3)n2)c1 ZINC001447304828 1066790128 /nfs/dbraw/zinc/79/01/28/1066790128.db2.gz GSIOFEIGPYBBLG-HSZRJFAPSA-N 0 0 451.592 4.518 20 0 JJADRN CC(C)[C@H](CNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)Nc1ccccc1 ZINC001457208222 1066790255 /nfs/dbraw/zinc/79/02/55/1066790255.db2.gz STCKLUCLVJEBBM-QFIPXVFZSA-N 0 0 453.583 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2ccc(F)c(F)c2)cs1 ZINC001492666184 1066790373 /nfs/dbraw/zinc/79/03/73/1066790373.db2.gz KKADSOJUNNGQPF-UHFFFAOYSA-N 0 0 474.968 4.840 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457208550 1066790804 /nfs/dbraw/zinc/79/08/04/1066790804.db2.gz PWJSZUMJDVFIFY-CJNGLKHVSA-N 0 0 451.361 4.961 20 0 JJADRN Cc1nnsc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316149 1066791048 /nfs/dbraw/zinc/79/10/48/1066791048.db2.gz QEXQERJXIBIJEM-XMMPIXPASA-N 0 0 459.571 4.802 20 0 JJADRN C[C@@H](CC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447315196 1066791122 /nfs/dbraw/zinc/79/11/22/1066791122.db2.gz WBMBADWEAOGXDH-PZJWPPBQSA-N 0 0 454.615 4.701 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492666438 1066791506 /nfs/dbraw/zinc/79/15/06/1066791506.db2.gz UEJYNRJZBJGZIG-INIZCTEOSA-N 0 0 488.633 4.665 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](NC(=O)c1ccc(OCc3ccccc3Cl)c(OC)c1)C2 ZINC001447319523 1066791440 /nfs/dbraw/zinc/79/14/40/1066791440.db2.gz IKJORHLVXQHUEA-IBGZPJMESA-N 0 0 453.922 4.670 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(-c3ccccc3OC)on2)c1 ZINC001447317528 1066791510 /nfs/dbraw/zinc/79/15/10/1066791510.db2.gz QTCXYLGVJPAFEA-DEOSSOPVSA-N 0 0 458.514 4.735 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CCO2)cc1OC ZINC001457214054 1066792052 /nfs/dbraw/zinc/79/20/52/1066792052.db2.gz POSSKJPWLFNPCT-LJQANCHMSA-N 0 0 458.864 4.545 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)CCO2)cc1OC ZINC001457213654 1066792081 /nfs/dbraw/zinc/79/20/81/1066792081.db2.gz NCXDVZMYULLPCX-HSZRJFAPSA-N 0 0 455.457 4.988 20 0 JJADRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001457220419 1066793038 /nfs/dbraw/zinc/79/30/38/1066793038.db2.gz GTDJWUHFUILLKZ-OSPHWJPCSA-N 0 0 458.599 4.832 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cc3c([nH]2)c(Br)ccc3C)CC[C@H](C)c2ccccc21 ZINC001457218980 1066793084 /nfs/dbraw/zinc/79/30/84/1066793084.db2.gz IYCHNHDQPNPLCN-PSLXWICFSA-N 0 0 455.352 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492666879 1066792930 /nfs/dbraw/zinc/79/29/30/1066792930.db2.gz KYKWXDNECZBTLY-UHFFFAOYSA-N 0 0 494.568 4.868 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457221878 1066793387 /nfs/dbraw/zinc/79/33/87/1066793387.db2.gz PVTPXPFMPGYAPN-AWEZNQCLSA-N 0 0 455.308 4.746 20 0 JJADRN CC[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447328114 1066793703 /nfs/dbraw/zinc/79/37/03/1066793703.db2.gz DIIROARMTKIOMC-YLJYHZDGSA-N 0 0 451.007 4.540 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CC=CCC3)n2CCCN(C)c2ccccc2)cs1 ZINC001492667467 1066793924 /nfs/dbraw/zinc/79/39/24/1066793924.db2.gz GQMNGQQCHIPEOF-OAQYLSRUSA-N 0 0 450.656 4.953 20 0 JJADRN CC[C@@H]1CN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447330120 1066794111 /nfs/dbraw/zinc/79/41/11/1066794111.db2.gz HPPOOCJCCIBWPT-BJZITVGISA-N 0 0 454.489 4.545 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCC2(F)F)s1 ZINC001492666790 1066794403 /nfs/dbraw/zinc/79/44/03/1066794403.db2.gz HWTBZNRIMGKSSF-OAHLLOKOSA-N 0 0 452.600 4.861 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447332749 1066794433 /nfs/dbraw/zinc/79/44/33/1066794433.db2.gz PEIOQXCLYBGQDK-GHTZIAJQSA-N 0 0 451.567 4.704 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001447333080 1066794454 /nfs/dbraw/zinc/79/44/54/1066794454.db2.gz GGZFMKCLRVFCBW-UHFFFAOYSA-N 0 0 452.551 4.869 20 0 JJADRN CCc1nc(-c2ccc(C(=O)NCc3ccc(Br)cc3C(F)(F)F)cc2)n[nH]1 ZINC001447333318 1066794507 /nfs/dbraw/zinc/79/45/07/1066794507.db2.gz GARBPVCBRJJOEP-UHFFFAOYSA-N 0 0 453.262 4.745 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)o1 ZINC001457225891 1066794407 /nfs/dbraw/zinc/79/44/07/1066794407.db2.gz XQDVJHCYJLKYKH-UHFFFAOYSA-N 0 0 452.536 4.749 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N1CCOc2cc(Br)c(Cl)cc21 ZINC001457227577 1066794586 /nfs/dbraw/zinc/79/45/86/1066794586.db2.gz LVIPROJJVCKKSM-UHFFFAOYSA-N 0 0 459.674 4.578 20 0 JJADRN CC[C@@H](C(=O)NCc1ccc(Br)cc1C(F)(F)F)N(C)C(=O)OC(C)(C)C ZINC001447334011 1066794996 /nfs/dbraw/zinc/79/49/96/1066794996.db2.gz LLQJNMTZOPKTBW-AWEZNQCLSA-N 0 0 453.299 4.730 20 0 JJADRN COCCOc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c(Cl)c1 ZINC001457228576 1066795051 /nfs/dbraw/zinc/79/50/51/1066795051.db2.gz HWYBLLFVTLUBEB-UHFFFAOYSA-N 0 0 450.926 4.605 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001457234298 1066795818 /nfs/dbraw/zinc/79/58/18/1066795818.db2.gz PRBKAYYCOUSDMN-UGKGYDQZSA-N 0 0 452.904 4.703 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447337242 1066795867 /nfs/dbraw/zinc/79/58/67/1066795867.db2.gz ZFGKXDRNOPODEL-LPHOPBHVSA-N 0 0 456.587 4.800 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447337247 1066795983 /nfs/dbraw/zinc/79/59/83/1066795983.db2.gz ZFGKXDRNOPODEL-VQIMIIECSA-N 0 0 456.587 4.800 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001447336694 1066796022 /nfs/dbraw/zinc/79/60/22/1066796022.db2.gz VCFVSSJJNCPEGH-FQEVSTJZSA-N 0 0 450.951 4.977 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)F)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492668425 1066796261 /nfs/dbraw/zinc/79/62/61/1066796261.db2.gz KIXASAAMHIXVHS-ZDUSSCGKSA-N 0 0 455.962 4.846 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492668421 1066796480 /nfs/dbraw/zinc/79/64/80/1066796480.db2.gz KGQFLRYFGBVHQN-UHFFFAOYSA-N 0 0 494.374 4.836 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCc3ccc(Br)cc3)n2CCOC(C)(C)C)cs1 ZINC001492668691 1066796958 /nfs/dbraw/zinc/79/69/58/1066796958.db2.gz ULOQHFCKMLSRPR-UHFFFAOYSA-N 0 0 492.487 4.890 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC001457240846 1066796968 /nfs/dbraw/zinc/79/69/68/1066796968.db2.gz DFPKCMLLQYEGNY-CYBMUJFWSA-N 0 0 450.580 4.981 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2CCCN(C)c2ccccc2)cs1 ZINC001492668816 1066797435 /nfs/dbraw/zinc/79/74/35/1066797435.db2.gz YPCIYQJMIJVFHS-UHFFFAOYSA-N 0 0 452.550 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CCCC(F)(F)F)cs1 ZINC001492669165 1066797792 /nfs/dbraw/zinc/79/77/92/1066797792.db2.gz LIMUFAPSNOUCRN-UHFFFAOYSA-N 0 0 452.550 4.549 20 0 JJADRN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cnnn1-c1cccc(Cl)c1Cl ZINC001447359929 1066797907 /nfs/dbraw/zinc/79/79/07/1066797907.db2.gz IUYKUBCMEXOYJI-NRFANRHFSA-N 0 0 453.329 4.705 20 0 JJADRN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001447359918 1066798119 /nfs/dbraw/zinc/79/81/19/1066798119.db2.gz IROZCQUDPASABO-FQEVSTJZSA-N 0 0 453.420 4.886 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(F)(F)F ZINC001457252587 1066798332 /nfs/dbraw/zinc/79/83/32/1066798332.db2.gz UJCIJZRCIDNATL-GOSISDBHSA-N 0 0 459.559 4.704 20 0 JJADRN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC001447364273 1066799084 /nfs/dbraw/zinc/79/90/84/1066799084.db2.gz VSJDIAFZQWRRMK-HHHXNRCGSA-N 0 0 450.538 4.600 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccc(OC(C)C)cc2)cs1 ZINC001492669989 1066799136 /nfs/dbraw/zinc/79/91/36/1066799136.db2.gz CQKATJCBUMDRBJ-MGPUTAFESA-N 0 0 495.571 4.625 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492669955 1066799208 /nfs/dbraw/zinc/79/92/08/1066799208.db2.gz BSNOTAVSUFPADM-KBPBESRZSA-N 0 0 451.518 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)cs1 ZINC001492669913 1066799260 /nfs/dbraw/zinc/79/92/60/1066799260.db2.gz LBJFUVUVJCPIDG-XMMPIXPASA-N 0 0 482.698 4.578 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1)Oc1ccccc1F ZINC001545994971 1066799338 /nfs/dbraw/zinc/79/93/38/1066799338.db2.gz KAFGTNKCRAUPRM-HXUWFJFHSA-N 0 0 499.656 4.887 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)c2ccccc2F)cs1 ZINC001492670227 1066799597 /nfs/dbraw/zinc/79/95/97/1066799597.db2.gz FNGTVSYTPKXBMC-INIZCTEOSA-N 0 0 457.619 4.754 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001457267255 1066799836 /nfs/dbraw/zinc/79/98/36/1066799836.db2.gz ORXSJQXRQICBBR-KPZWWZAWSA-N 0 0 454.493 4.656 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC001447366682 1066799832 /nfs/dbraw/zinc/79/98/32/1066799832.db2.gz NXFPHWUKTCZFDC-SFHVURJKSA-N 0 0 452.437 4.702 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3cccs3)C(C)C)n2CCn2cc(Cl)cn2)cs1 ZINC001492670617 1066800161 /nfs/dbraw/zinc/80/01/61/1066800161.db2.gz XOZVOVXEFOPMSB-UHFFFAOYSA-N 0 0 462.048 4.660 20 0 JJADRN C[C@@](O)(CNC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1Cl ZINC001447368789 1066800081 /nfs/dbraw/zinc/80/00/81/1066800081.db2.gz SDOIILGSDTUHHH-HSZRJFAPSA-N 0 0 453.951 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)C1(C)C ZINC001447370705 1066800718 /nfs/dbraw/zinc/80/07/18/1066800718.db2.gz UKQKRBNSRSNDDE-UNMCSNQZSA-N 0 0 456.558 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492670993 1066801271 /nfs/dbraw/zinc/80/12/71/1066801271.db2.gz OFTZXZIUURAZFP-HDICACEKSA-N 0 0 469.655 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)cs1 ZINC001492670994 1066801406 /nfs/dbraw/zinc/80/14/06/1066801406.db2.gz OFTZXZIUURAZFP-QZTJIDSGSA-N 0 0 469.655 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(OCC(F)F)cc3)o2)CC1 ZINC001457270754 1066801403 /nfs/dbraw/zinc/80/14/03/1066801403.db2.gz SRXWBGVGZQQNOU-UHFFFAOYSA-N 0 0 451.470 4.685 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@H](C)C3)n2Cc2sccc2Br)cs1 ZINC001492670874 1066801457 /nfs/dbraw/zinc/80/14/57/1066801457.db2.gz MBABZLDZTKMCHV-TXEJJXNPSA-N 0 0 452.447 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)cs1 ZINC001492671009 1066801469 /nfs/dbraw/zinc/80/14/69/1066801469.db2.gz OIPNLUDFTOEALH-NJSLBKSFSA-N 0 0 494.434 4.721 20 0 JJADRN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)C1 ZINC001447377692 1066801486 /nfs/dbraw/zinc/80/14/86/1066801486.db2.gz LQEHWSJQERTZJA-MRXNPFEDSA-N 0 0 450.391 4.821 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001545995220 1066802028 /nfs/dbraw/zinc/80/20/28/1066802028.db2.gz OJHXIPGOZRHNOE-IBGZPJMESA-N 0 0 489.636 4.921 20 0 JJADRN O=C(CCSc1ccccc1Cl)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001447381873 1066802125 /nfs/dbraw/zinc/80/21/25/1066802125.db2.gz RXCYTSSYFQZBKP-OAHLLOKOSA-N 0 0 456.917 4.758 20 0 JJADRN CCCc1c(NC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)cnn1-c1cc(C)ccn1 ZINC001447383380 1066802162 /nfs/dbraw/zinc/80/21/62/1066802162.db2.gz YGVZDUFXKKZFNQ-UHFFFAOYSA-N 0 0 459.506 4.550 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492671371 1066802082 /nfs/dbraw/zinc/80/20/82/1066802082.db2.gz VMGHJZZRPOYGFR-SJORKVTESA-N 0 0 462.664 4.516 20 0 JJADRN C/C(=C\C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1C(F)(F)F ZINC001457277173 1066802019 /nfs/dbraw/zinc/80/20/19/1066802019.db2.gz HJBVILZUGKEYFN-UXBLZVDNSA-N 0 0 455.230 4.841 20 0 JJADRN O=C(CCS(=O)(=O)c1cccc(Br)c1)OCc1ccc(Cl)cc1Cl ZINC001457276742 1066802199 /nfs/dbraw/zinc/80/21/99/1066802199.db2.gz XBFJQFLDWISEJT-UHFFFAOYSA-N 0 0 452.153 4.663 20 0 JJADRN CCNc1ncc(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1Cl ZINC001457279386 1066802543 /nfs/dbraw/zinc/80/25/43/1066802543.db2.gz FLUXREPFXVGVOO-UHFFFAOYSA-N 0 0 452.780 4.751 20 0 JJADRN CCOc1ccc(-c2cn(C3CN(C(=O)[C@@H](C)Cc4cccc(C(F)(F)F)c4)C3)nn2)cc1 ZINC001447387313 1066802699 /nfs/dbraw/zinc/80/26/99/1066802699.db2.gz PJRCPEZLSZHMHA-INIZCTEOSA-N 0 0 458.484 4.625 20 0 JJADRN COc1ccccc1C1(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CCCCC1 ZINC001457278157 1066802800 /nfs/dbraw/zinc/80/28/00/1066802800.db2.gz KUGOWXSXVGQQAU-UHFFFAOYSA-N 0 0 459.340 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492671467 1066802704 /nfs/dbraw/zinc/80/27/04/1066802704.db2.gz XIGIHJNJDAPGIF-YSVLISHTSA-N 0 0 457.566 4.931 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492671545 1066802710 /nfs/dbraw/zinc/80/27/10/1066802710.db2.gz YRHINBQCPUHQDO-YLJYHZDGSA-N 0 0 488.702 4.810 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCSc3ccncc32)cc1)c1ccc(Br)cc1 ZINC001457281159 1066803146 /nfs/dbraw/zinc/80/31/46/1066803146.db2.gz WMNAXWHKJNKQOW-UHFFFAOYSA-N 0 0 454.349 4.849 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCCC(C)C)cs1 ZINC001492671687 1066803091 /nfs/dbraw/zinc/80/30/91/1066803091.db2.gz CAQBSSBRWWVRSO-FQEVSTJZSA-N 0 0 466.655 4.559 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCc2csc(C(C)C)n2)cs1 ZINC001492671820 1066803142 /nfs/dbraw/zinc/80/31/42/1066803142.db2.gz GCVSBXKFBICMAT-GASCZTMLSA-N 0 0 462.714 4.787 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2C)cs1 ZINC001492671781 1066803192 /nfs/dbraw/zinc/80/31/92/1066803192.db2.gz FGRUWAAMABXMTB-BZSNNMDCSA-N 0 0 457.669 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2CCOCCC(C)C)cs1 ZINC001492671790 1066803244 /nfs/dbraw/zinc/80/32/44/1066803244.db2.gz FNIRAJDOOOTIEG-UWJYYQICSA-N 0 0 475.684 4.724 20 0 JJADRN C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC001447398107 1066803415 /nfs/dbraw/zinc/80/34/15/1066803415.db2.gz HQAGJULHZLJLEU-APWZRJJASA-N 0 0 451.558 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCc2csc(C(C)C)n2)cs1 ZINC001492671822 1066803671 /nfs/dbraw/zinc/80/36/71/1066803671.db2.gz GCVSBXKFBICMAT-HUUCEWRRSA-N 0 0 462.714 4.787 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCc2cccc(F)c2F)cs1 ZINC001492672050 1066803807 /nfs/dbraw/zinc/80/38/07/1066803807.db2.gz LXZBPXJQRWIZIT-UHFFFAOYSA-N 0 0 469.483 4.854 20 0 JJADRN Cc1nc(Cc2nnc(N3Cc4ccc(Br)cc4C3)n2CCCOC(F)F)cs1 ZINC001492671892 1066803828 /nfs/dbraw/zinc/80/38/28/1066803828.db2.gz HRTPPAQSCHKPKM-UHFFFAOYSA-N 0 0 484.370 4.546 20 0 JJADRN Cc1cc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)ncc1Br ZINC001457287047 1066803797 /nfs/dbraw/zinc/80/37/97/1066803797.db2.gz BDZPIHALYYGLEO-QFIPXVFZSA-N 0 0 454.368 4.628 20 0 JJADRN Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 ZINC001457284940 1066803932 /nfs/dbraw/zinc/80/39/32/1066803932.db2.gz SJMOASRIBWUILH-UHFFFAOYSA-N 0 0 459.543 4.586 20 0 JJADRN CC(C)c1ccc(CC2CCN(C(=O)[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC001447401412 1066803926 /nfs/dbraw/zinc/80/39/26/1066803926.db2.gz AOEVEBLGCZYLMD-HXUWFJFHSA-N 0 0 456.652 4.645 20 0 JJADRN CCc1c(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cnn1-c1ccc(OC)cc1 ZINC001447399009 1066804005 /nfs/dbraw/zinc/80/40/05/1066804005.db2.gz HRSJBMUQXVRNMQ-UHFFFAOYSA-N 0 0 459.377 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)c4ccc(O)cc4)CC3)n2CCCC(C)C)cs1 ZINC001492671918 1066803918 /nfs/dbraw/zinc/80/39/18/1066803918.db2.gz IWKNGHHCTWIMMH-UHFFFAOYSA-N 0 0 467.639 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C)COCc2ccccc2)cs1 ZINC001492672275 1066804342 /nfs/dbraw/zinc/80/43/42/1066804342.db2.gz RHZPGWIFKLHECZ-FHWLQOOXSA-N 0 0 471.696 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](C)COCc2ccccc2)cs1 ZINC001492672278 1066804354 /nfs/dbraw/zinc/80/43/54/1066804354.db2.gz RHZPGWIFKLHECZ-QYZOEREBSA-N 0 0 471.696 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N3Cc4ccccc4[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492672555 1066804359 /nfs/dbraw/zinc/80/43/59/1066804359.db2.gz UTWBSZBSWPKGSD-INIZCTEOSA-N 0 0 468.627 4.582 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCc2ccc(Cl)cc2)cs1 ZINC001492672672 1066804388 /nfs/dbraw/zinc/80/43/88/1066804388.db2.gz WPJLEPRQHMLVIX-UHFFFAOYSA-N 0 0 497.974 4.878 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)[C@@H](C)Cc3ccsc3)C2)c2ccccc12 ZINC001457288458 1066804524 /nfs/dbraw/zinc/80/45/24/1066804524.db2.gz ZETXGAJSWABCPS-ICSRJNTNSA-N 0 0 450.604 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC001447406020 1066804645 /nfs/dbraw/zinc/80/46/45/1066804645.db2.gz VSBNHNAAXQDDCR-INIZCTEOSA-N 0 0 456.414 4.679 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)nc1C ZINC001457291650 1066805045 /nfs/dbraw/zinc/80/50/45/1066805045.db2.gz LNEBTJGPMOVPKI-UHFFFAOYSA-N 0 0 454.335 4.828 20 0 JJADRN Cc1nc(-c2ccccn2)sc1C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001447407564 1066805199 /nfs/dbraw/zinc/80/51/99/1066805199.db2.gz XVHPZBXJVJEQHO-UHFFFAOYSA-N 0 0 452.580 4.681 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457294645 1066805826 /nfs/dbraw/zinc/80/58/26/1066805826.db2.gz QETXPJRUBGZMPE-UZUQRXQVSA-N 0 0 452.917 4.873 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1)Oc1cccc(F)c1 ZINC001545995452 1066805855 /nfs/dbraw/zinc/80/58/55/1066805855.db2.gz SOMOSRMVSVUADU-HSZRJFAPSA-N 0 0 468.621 4.895 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCc2cc(Cl)ccc2C1)NC(=O)OC(C)(C)C ZINC001545995502 1066805909 /nfs/dbraw/zinc/80/59/09/1066805909.db2.gz UEZKUPWLZXBWFS-FQEVSTJZSA-N 0 0 462.038 4.996 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)cs1 ZINC001492673351 1066806046 /nfs/dbraw/zinc/80/60/46/1066806046.db2.gz RFUXNRUPZVGXNY-ZWKOTPCHSA-N 0 0 481.670 4.694 20 0 JJADRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001447416086 1066806524 /nfs/dbraw/zinc/80/65/24/1066806524.db2.gz SOWRRAASRYUVQY-JMUQELJHSA-N 0 0 452.599 4.899 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)s1 ZINC001447414503 1066806530 /nfs/dbraw/zinc/80/65/30/1066806530.db2.gz ZIBXAEQMJJRNRK-KRWDZBQOSA-N 0 0 451.976 4.676 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)CCCn1cnc3ccccc31)CC2 ZINC001457299356 1066806862 /nfs/dbraw/zinc/80/68/62/1066806862.db2.gz KKPJPPRVYSTLEA-FQEVSTJZSA-N 0 0 454.615 4.750 20 0 JJADRN Cn1c(NC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)nc2cccnc21 ZINC001447426552 1066807515 /nfs/dbraw/zinc/80/75/15/1066807515.db2.gz HNPKDUIGQWTAIY-UHFFFAOYSA-N 0 0 458.703 4.824 20 0 JJADRN Cc1ccccc1C(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1C ZINC001447423599 1066807538 /nfs/dbraw/zinc/80/75/38/1066807538.db2.gz GFNNXOAHZAPMOS-SFHVURJKSA-N 0 0 456.995 4.529 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)c1ccccc1 ZINC001545995569 1066807609 /nfs/dbraw/zinc/80/76/09/1066807609.db2.gz VDOJQNKFWBAVTK-GGAORHGYSA-N 0 0 466.674 4.643 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492673650 1066807572 /nfs/dbraw/zinc/80/75/72/1066807572.db2.gz YUXMBGWIGZHWRM-IEBWSBKVSA-N 0 0 488.702 4.954 20 0 JJADRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001457312362 1066807542 /nfs/dbraw/zinc/80/75/42/1066807542.db2.gz MKXOLZAUAIAJAH-OWJYGESUSA-N 0 0 451.526 4.588 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001447426598 1066807655 /nfs/dbraw/zinc/80/76/55/1066807655.db2.gz NOKLZCSLBONWIT-OAQYLSRUSA-N 0 0 450.579 4.772 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492673955 1066807867 /nfs/dbraw/zinc/80/78/67/1066807867.db2.gz GXHSSGRZXKRZFI-GJZGRUSLSA-N 0 0 465.545 4.858 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](c4ccccc4C)C3)n2CCCOCC(F)F)cs1 ZINC001492674100 1066807996 /nfs/dbraw/zinc/80/79/96/1066807996.db2.gz KQDCVOVJRGAVDG-GOSISDBHSA-N 0 0 461.582 4.608 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2Cc2ccc(I)cc2)cs1 ZINC001492674325 1066808551 /nfs/dbraw/zinc/80/85/51/1066808551.db2.gz QDKIWUOECOKXKX-UONOGXRCSA-N 0 0 493.418 4.521 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)cs1 ZINC001492674225 1066808558 /nfs/dbraw/zinc/80/85/58/1066808558.db2.gz NLNDHEORBMINRU-UHFFFAOYSA-N 0 0 479.572 4.997 20 0 JJADRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001447428722 1066808624 /nfs/dbraw/zinc/80/86/24/1066808624.db2.gz RMWGNTYIERDRDA-ZEQKJWHPSA-N 0 0 458.558 4.899 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2CC(F)(F)Br)cs1 ZINC001492674284 1066808611 /nfs/dbraw/zinc/80/86/11/1066808611.db2.gz OWLNHCYNERGTHV-CQSZACIVSA-N 0 0 486.361 4.755 20 0 JJADRN Cc1ccc(N(CCC(=O)NCCCc2ccsc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001457315911 1066808842 /nfs/dbraw/zinc/80/88/42/1066808842.db2.gz ZCXIHSBQXSRKSF-UHFFFAOYSA-N 0 0 456.633 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492674491 1066809144 /nfs/dbraw/zinc/80/91/44/1066809144.db2.gz CVAYJJYKVKVSJK-LPHOPBHVSA-N 0 0 498.619 4.668 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545995849 1066809287 /nfs/dbraw/zinc/80/92/87/1066809287.db2.gz ZNMRFCWWVLSSAQ-IRLDBZIGSA-N 0 0 471.646 4.828 20 0 JJADRN CCC(C)(C)OCc1ccccc1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC001447439755 1066809653 /nfs/dbraw/zinc/80/96/53/1066809653.db2.gz FMBQEAFBGWIROY-UHFFFAOYSA-N 0 0 454.386 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2Cc2cc(COC(C)(C)C)on2)cs1 ZINC001492674739 1066809665 /nfs/dbraw/zinc/80/96/65/1066809665.db2.gz WPSRNEKEBBJKKT-GOSISDBHSA-N 0 0 472.659 4.858 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccc(O)cc1 ZINC001447438548 1066809828 /nfs/dbraw/zinc/80/98/28/1066809828.db2.gz RYYMLVBDLJYVDR-SFHVURJKSA-N 0 0 451.422 4.663 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492675267 1066810353 /nfs/dbraw/zinc/81/03/53/1066810353.db2.gz RRJBQZGCTLZBIN-UHFFFAOYSA-N 0 0 457.472 4.936 20 0 JJADRN CC[C@@H](C)c1ccc(-c2cc(C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)c3ccccc3n2)cc1 ZINC001457325883 1066810393 /nfs/dbraw/zinc/81/03/93/1066810393.db2.gz VHNHLLBCXNUOBK-LVCYWYKZSA-N 0 0 465.619 4.602 20 0 JJADRN Cn1c2cc(F)ccc2nc1NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001447447217 1066810469 /nfs/dbraw/zinc/81/04/69/1066810469.db2.gz HINTVDFXFYYUKH-UHFFFAOYSA-N 0 0 452.530 4.620 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001447447343 1066810489 /nfs/dbraw/zinc/81/04/89/1066810489.db2.gz PFGSKUYGTYAPCT-PGRDOPGGSA-N 0 0 454.567 4.503 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492675384 1066810813 /nfs/dbraw/zinc/81/08/13/1066810813.db2.gz WHEWGZUSDODLIL-UHFFFAOYSA-N 0 0 493.599 4.884 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492675660 1066810851 /nfs/dbraw/zinc/81/08/51/1066810851.db2.gz GZYDYLTZBRJCDP-DEOSSOPVSA-N 0 0 490.073 4.589 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC2=CCCCC2)cs1 ZINC001492675328 1066810869 /nfs/dbraw/zinc/81/08/69/1066810869.db2.gz URWBGNGWVRFAQR-UHFFFAOYSA-N 0 0 486.686 4.875 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC001447448713 1066811020 /nfs/dbraw/zinc/81/10/20/1066811020.db2.gz KZENLADOEPDASR-UHFFFAOYSA-N 0 0 453.380 4.961 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001447451590 1066811057 /nfs/dbraw/zinc/81/10/57/1066811057.db2.gz VKLVIKYVHAGCFE-OAHLLOKOSA-N 0 0 458.580 4.645 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CC2(C)CCC2)cs1 ZINC001492675316 1066810973 /nfs/dbraw/zinc/81/09/73/1066810973.db2.gz UCVOZGNVDRJSDP-UHFFFAOYSA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)c2ccc(F)cc2)cs1 ZINC001492675375 1066810997 /nfs/dbraw/zinc/81/09/97/1066810997.db2.gz VYEZTHLMRHTVBP-UHFFFAOYSA-N 0 0 471.646 4.740 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)C2)c1 ZINC001447459999 1066811565 /nfs/dbraw/zinc/81/15/65/1066811565.db2.gz ZNGBIISRGGHRQS-TUACAJSNSA-N 0 0 453.558 4.757 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3occc(=O)c3c2)cc1)c1ccc(Br)o1 ZINC001457334960 1066811808 /nfs/dbraw/zinc/81/18/08/1066811808.db2.gz NEKWVTUVJRVTKA-UHFFFAOYSA-N 0 0 453.248 4.653 20 0 JJADRN Cc1c(CC(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)nnn1-c1ccccc1 ZINC001457333170 1066811913 /nfs/dbraw/zinc/81/19/13/1066811913.db2.gz AUSCLKPOVDMTEI-UHFFFAOYSA-N 0 0 450.930 4.659 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)cc1 ZINC001447461061 1066811927 /nfs/dbraw/zinc/81/19/27/1066811927.db2.gz KZPBPLPDDPERGC-IBGZPJMESA-N 0 0 452.576 4.728 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC001457335063 1066811957 /nfs/dbraw/zinc/81/19/57/1066811957.db2.gz CTTQFJBJEIYLFZ-JOCHJYFZSA-N 0 0 453.341 4.793 20 0 JJADRN C[C@@H](C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)n1ccc(C(F)(F)F)n1 ZINC001447462370 1066812250 /nfs/dbraw/zinc/81/22/50/1066812250.db2.gz OEEVUASACVOOGN-XJKSGUPXSA-N 0 0 451.424 4.796 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447461878 1066812260 /nfs/dbraw/zinc/81/22/60/1066812260.db2.gz MTNZUWMNDHWJIV-GOSISDBHSA-N 0 0 459.319 4.978 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492676323 1066812543 /nfs/dbraw/zinc/81/25/43/1066812543.db2.gz BURSQRKUTCCQFN-CYBMUJFWSA-N 0 0 490.477 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@](O)(c4ccc(F)cc4)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492675516 1066812642 /nfs/dbraw/zinc/81/26/42/1066812642.db2.gz AZOJZGLZAPMUCR-XMMPIXPASA-N 0 0 457.619 4.553 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)C1 ZINC001447466755 1066812748 /nfs/dbraw/zinc/81/27/48/1066812748.db2.gz XAVMQZSTTSMETL-LJQANCHMSA-N 0 0 458.534 4.576 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001545995417 1066812896 /nfs/dbraw/zinc/81/28/96/1066812896.db2.gz RXOIVSHSXYWGKU-WOJBJXKFSA-N 0 0 473.637 4.604 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cc(Br)c(Br)[nH]1 ZINC001457340740 1066813001 /nfs/dbraw/zinc/81/30/01/1066813001.db2.gz VCGHLIJTAVVSTN-UHFFFAOYSA-N 0 0 457.191 4.852 20 0 JJADRN CC[C@H](CNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)Oc1cccc(F)c1 ZINC001457341347 1066813105 /nfs/dbraw/zinc/81/31/05/1066813105.db2.gz OLUUOVUUFFNGIF-CQSZACIVSA-N 0 0 456.827 4.666 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2Cc2ccc(OC(F)F)cc2)cs1 ZINC001492676455 1066813269 /nfs/dbraw/zinc/81/32/69/1066813269.db2.gz GFGLLUCGKPINBG-UHFFFAOYSA-N 0 0 496.381 4.772 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2CC2(OC)CCCC2)CCO1 ZINC001546089542 1066813423 /nfs/dbraw/zinc/81/34/23/1066813423.db2.gz QXQXCEBYJHPFEJ-OAQYLSRUSA-N 0 0 463.420 4.672 20 0 JJADRN COc1cc(NC(=O)CN(C)C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc(OC)c1 ZINC001457343243 1066813561 /nfs/dbraw/zinc/81/35/61/1066813561.db2.gz OEOBOQGMIBVOCP-LBPRGKRZSA-N 0 0 457.379 4.588 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CC2)cs1 ZINC001492676564 1066813680 /nfs/dbraw/zinc/81/36/80/1066813680.db2.gz IZLAJCPVVPTOPS-AEFFLSMTSA-N 0 0 474.675 4.564 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492676511 1066813756 /nfs/dbraw/zinc/81/37/56/1066813756.db2.gz HLYHDVNUJSBBJL-ZWOKBUDYSA-N 0 0 467.630 4.957 20 0 JJADRN CCCCCn1nc(C)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001457346401 1066814105 /nfs/dbraw/zinc/81/41/05/1066814105.db2.gz LZMANJHFUOSPGP-UHFFFAOYSA-N 0 0 454.596 4.768 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)c3cnn(-c4ccccc4)c3C(C)C)nc12 ZINC001447486749 1066814503 /nfs/dbraw/zinc/81/45/03/1066814503.db2.gz HXAZEXFNQSFMDT-UHFFFAOYSA-N 0 0 452.356 4.644 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4ccc(Cl)cc4C3)n2CCCOC(F)(F)F)cs1 ZINC001492676857 1066814803 /nfs/dbraw/zinc/81/48/03/1066814803.db2.gz QEGZFOPNRGZNND-UHFFFAOYSA-N 0 0 471.936 4.776 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677327 1066815865 /nfs/dbraw/zinc/81/58/65/1066815865.db2.gz CNKBBPXTBVTRQK-QFIPXVFZSA-N 0 0 479.572 4.854 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCC1)CC2 ZINC001457364362 1066817051 /nfs/dbraw/zinc/81/70/51/1066817051.db2.gz QZTSPDSVRWJFOF-UHFFFAOYSA-N 0 0 459.587 4.756 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3c3ccco3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492677972 1066817087 /nfs/dbraw/zinc/81/70/87/1066817087.db2.gz OXJITZIHVIHQCR-LPHOPBHVSA-N 0 0 486.642 4.729 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]1CCCC2 ZINC001457366461 1066817655 /nfs/dbraw/zinc/81/76/55/1066817655.db2.gz QYIDRQMJUGVUBH-XDHUDOTRSA-N 0 0 458.990 4.887 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492678252 1066817813 /nfs/dbraw/zinc/81/78/13/1066817813.db2.gz VAUCTSZPZNTVLN-GFCCVEGCSA-N 0 0 456.563 4.784 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]1CCCC2 ZINC001457366436 1066817699 /nfs/dbraw/zinc/81/76/99/1066817699.db2.gz QYIDRQMJUGVUBH-BXKMTCNYSA-N 0 0 458.990 4.887 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCc4cccc(NC(=O)OC(C)(C)C)c4C3)c2)cn1 ZINC001457365860 1066817713 /nfs/dbraw/zinc/81/77/13/1066817713.db2.gz CZSOPCIVRRLICP-UHFFFAOYSA-N 0 0 450.514 4.772 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545996975 1066817887 /nfs/dbraw/zinc/81/78/87/1066817887.db2.gz HREXLJRQENXGNE-NBGIEHNGSA-N 0 0 492.064 4.831 20 0 JJADRN O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001447519152 1066818032 /nfs/dbraw/zinc/81/80/32/1066818032.db2.gz HDTUJWRDPRGQJK-VFIGECHUSA-N 0 0 459.359 4.784 20 0 JJADRN CN(CCCCC(=O)N1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001457370367 1066818298 /nfs/dbraw/zinc/81/82/98/1066818298.db2.gz FGFFOSHBXIRNHV-IBGZPJMESA-N 0 0 455.640 4.662 20 0 JJADRN CCCNc1ccccc1NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 ZINC001447523076 1066818496 /nfs/dbraw/zinc/81/84/96/1066818496.db2.gz LIRITOHYPBIAHK-OAQYLSRUSA-N 0 0 452.555 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NCC2CCCCC2)C1 ZINC001447530235 1066818877 /nfs/dbraw/zinc/81/88/77/1066818877.db2.gz JOIGLBQCZLIIKH-FQEVSTJZSA-N 0 0 451.995 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(Cl)ccc2NCC2CCCCC2)C1 ZINC001447530237 1066818991 /nfs/dbraw/zinc/81/89/91/1066818991.db2.gz JOIGLBQCZLIIKH-HXUWFJFHSA-N 0 0 451.995 4.907 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccc(C)nc1N1CCCC1 ZINC001447538089 1066819667 /nfs/dbraw/zinc/81/96/67/1066819667.db2.gz QYPDNLIGODGFEK-UHFFFAOYSA-N 0 0 452.555 4.682 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1)c1ccccc1 ZINC001545997169 1066819781 /nfs/dbraw/zinc/81/97/81/1066819781.db2.gz KNWCJYIYIQWRTR-NRFANRHFSA-N 0 0 452.672 4.758 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(F)cc(Br)c1 ZINC001457387479 1066819980 /nfs/dbraw/zinc/81/99/80/1066819980.db2.gz PKWDFKXRZCZGOD-SFHVURJKSA-N 0 0 452.320 4.973 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492678891 1066819971 /nfs/dbraw/zinc/81/99/71/1066819971.db2.gz QDJSKSVBFWZXPB-YSIASYRMSA-N 0 0 474.675 4.592 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492678892 1066820085 /nfs/dbraw/zinc/82/00/85/1066820085.db2.gz QDJSKSVBFWZXPB-YZGWKJHDSA-N 0 0 474.675 4.592 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC001457382857 1066820087 /nfs/dbraw/zinc/82/00/87/1066820087.db2.gz RTCSAPGBPZECPX-DEOSSOPVSA-N 0 0 459.933 4.552 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC1CCCC1)NC(=O)OC(C)(C)C ZINC001545997192 1066820324 /nfs/dbraw/zinc/82/03/24/1066820324.db2.gz KYMJSDRCXVSANE-OAQYLSRUSA-N 0 0 459.610 4.938 20 0 JJADRN O=S(=O)(Cc1cc(F)ccc1Br)Oc1ccc(Cl)cc1Br ZINC001561060484 1066820676 /nfs/dbraw/zinc/82/06/76/1066820676.db2.gz XVJWZPRELVTEGR-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN CC(=O)NCCN(C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC001447554768 1066820988 /nfs/dbraw/zinc/82/09/88/1066820988.db2.gz SPMRICHQNPDGOG-KRWDZBQOSA-N 0 0 456.583 4.553 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC001447552378 1066821003 /nfs/dbraw/zinc/82/10/03/1066821003.db2.gz KKEMYZQIXWHGQF-UHFFFAOYSA-N 0 0 452.530 4.713 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492679145 1066821175 /nfs/dbraw/zinc/82/11/75/1066821175.db2.gz WAAALDVVKAWAJW-YLJYHZDGSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)cs1 ZINC001492679200 1066821339 /nfs/dbraw/zinc/82/13/39/1066821339.db2.gz WTQCSSYZHWBJIR-HRAATJIYSA-N 0 0 474.625 4.841 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545997244 1066821415 /nfs/dbraw/zinc/82/14/15/1066821415.db2.gz LSPFCOQGCFKUPP-HXUWFJFHSA-N 0 0 475.609 4.530 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC001447557375 1066821432 /nfs/dbraw/zinc/82/14/32/1066821432.db2.gz XIFMDBXKYKXXQG-UHFFFAOYSA-N 0 0 454.596 4.890 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001447557225 1066821482 /nfs/dbraw/zinc/82/14/82/1066821482.db2.gz VQIMTYRYARWPFM-IBGZPJMESA-N 0 0 455.640 4.519 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCc2ccc(F)c(F)c2)cs1 ZINC001492679328 1066821946 /nfs/dbraw/zinc/82/19/46/1066821946.db2.gz ZLVFFDJVZYCQAE-IBGZPJMESA-N 0 0 475.609 4.939 20 0 JJADRN C[C@@]1(CCc2ccccc2)CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001457397263 1066821978 /nfs/dbraw/zinc/82/19/78/1066821978.db2.gz HXTZCKRWPDHJSN-XMMPIXPASA-N 0 0 453.633 4.800 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3Cc3cccs3)n2CC(F)(F)Br)cs1 ZINC001492679541 1066822058 /nfs/dbraw/zinc/82/20/58/1066822058.db2.gz HRSPANDLWFLIRL-AWEZNQCLSA-N 0 0 488.427 4.895 20 0 JJADRN COc1ccc(Cl)cc1NCC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001447560375 1066822110 /nfs/dbraw/zinc/82/21/10/1066822110.db2.gz OVTSNJSFFASSNB-UHFFFAOYSA-N 0 0 453.764 4.593 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(C)C2CC2)cs1 ZINC001492680445 1066822388 /nfs/dbraw/zinc/82/23/88/1066822388.db2.gz NVBWTYQVAIRKAX-UHFFFAOYSA-N 0 0 474.675 4.517 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001447564983 1066822539 /nfs/dbraw/zinc/82/25/39/1066822539.db2.gz RNZFDTFWODYKTQ-SFHVURJKSA-N 0 0 454.901 4.958 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 ZINC001457400177 1066822532 /nfs/dbraw/zinc/82/25/32/1066822532.db2.gz KVSPUUWBCJXSIE-ATLLOTDBSA-N 0 0 453.970 4.935 20 0 JJADRN O=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001447566641 1066822552 /nfs/dbraw/zinc/82/25/52/1066822552.db2.gz YZBRMIBPWVLRLC-IBGZPJMESA-N 0 0 450.844 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001492680952 1066823729 /nfs/dbraw/zinc/82/37/29/1066823729.db2.gz GMQNLFPQWZSKAJ-HZPDHXFCSA-N 0 0 496.578 4.649 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545997752 1066823761 /nfs/dbraw/zinc/82/37/61/1066823761.db2.gz VGNABURVCIEFKS-ZLNRFVROSA-N 0 0 483.657 4.628 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(NC(=O)OCC)ccc1Cl ZINC001447570534 1066823771 /nfs/dbraw/zinc/82/37/71/1066823771.db2.gz KPUZZNUCDVTHEO-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545997831 1066824129 /nfs/dbraw/zinc/82/41/29/1066824129.db2.gz WYSRCFDVSVFYEY-FQEVSTJZSA-N 0 0 484.670 4.882 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001492682267 1066824757 /nfs/dbraw/zinc/82/47/57/1066824757.db2.gz SWLNEKFSOLONIF-IBGZPJMESA-N 0 0 479.572 4.952 20 0 JJADRN O=C(c1cc2c(cc1O)OCO2)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447580107 1066824783 /nfs/dbraw/zinc/82/47/83/1066824783.db2.gz OVCYSCNNKOZIFO-HXUWFJFHSA-N 0 0 459.420 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCOc2cccc(Cl)c2)cs1 ZINC001492682445 1066824915 /nfs/dbraw/zinc/82/49/15/1066824915.db2.gz YGCFOORKCXQKGF-FQEVSTJZSA-N 0 0 476.046 4.618 20 0 JJADRN Cc1cc(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)ccc1NC(=O)CC(C)C ZINC001457414269 1066825392 /nfs/dbraw/zinc/82/53/92/1066825392.db2.gz KGUUNXDVIFQUCW-OAQYLSRUSA-N 0 0 456.892 4.813 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001447583719 1066825547 /nfs/dbraw/zinc/82/55/47/1066825547.db2.gz AYFAOHTUNIMVNN-INIZCTEOSA-N 0 0 452.477 4.655 20 0 JJADRN COc1ccc(-c2nc(C(=O)NC[C@@](O)(c3ccccc3Cl)C(F)(F)F)cs2)cc1 ZINC001457415765 1066826007 /nfs/dbraw/zinc/82/60/07/1066826007.db2.gz NJUGHLVEWPPXJV-LJQANCHMSA-N 0 0 456.873 4.652 20 0 JJADRN O=C(c1c(Cl)cc(F)cc1Br)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001447584202 1066826035 /nfs/dbraw/zinc/82/60/35/1066826035.db2.gz CSNZVPXONUQGRN-JTQLQIEISA-N 0 0 454.649 4.934 20 0 JJADRN C[C@@H]1OCC[C@]1(C)NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447584103 1066826146 /nfs/dbraw/zinc/82/61/46/1066826146.db2.gz CIKYBTJPZLTDIJ-MYUZEXMDSA-N 0 0 450.579 4.768 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCOc2ccc(F)cc2)cs1 ZINC001492683577 1066825990 /nfs/dbraw/zinc/82/59/90/1066825990.db2.gz BZWOKJIHCMHWSF-OAQYLSRUSA-N 0 0 475.659 4.820 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccc(Cl)s4)C3)n2CCOC(C)(C)C)cs1 ZINC001492683373 1066826130 /nfs/dbraw/zinc/82/61/30/1066826130.db2.gz WFXNXDPQWPOKBZ-MRXNPFEDSA-N 0 0 482.075 4.742 20 0 JJADRN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[C@@H](COC)Cc1ccccc1 ZINC001457415273 1066826135 /nfs/dbraw/zinc/82/61/35/1066826135.db2.gz NAOMRPUZJJBQIW-CRAIPNDOSA-N 0 0 454.792 4.976 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](C)Oc2ccccc2C)cs1 ZINC001492683671 1066826546 /nfs/dbraw/zinc/82/65/46/1066826546.db2.gz FHQLPBXIBFARID-FGTMMUONSA-N 0 0 457.669 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492683579 1066826627 /nfs/dbraw/zinc/82/66/27/1066826627.db2.gz CAOYDGPPSDURFA-CQSZACIVSA-N 0 0 488.630 4.735 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC001447587627 1066826781 /nfs/dbraw/zinc/82/67/81/1066826781.db2.gz RSSRITXQGHWBKE-SFHVURJKSA-N 0 0 453.764 4.551 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)c1 ZINC001457418458 1066827200 /nfs/dbraw/zinc/82/72/00/1066827200.db2.gz RSVLGRKJUYMULH-MRXNPFEDSA-N 0 0 454.645 4.730 20 0 JJADRN COCC[C@@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001447604287 1066827155 /nfs/dbraw/zinc/82/71/55/1066827155.db2.gz LGWBKFRLEBESNX-IBGZPJMESA-N 0 0 458.352 4.999 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c2ccccc2)cc1 ZINC001447608367 1066827988 /nfs/dbraw/zinc/82/79/88/1066827988.db2.gz UUCFOORVRMXYRD-QFIPXVFZSA-N 0 0 454.473 4.870 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2Cc2ccccc2OC(C)C)cs1 ZINC001492684112 1066828042 /nfs/dbraw/zinc/82/80/42/1066828042.db2.gz RNCLUUJMCHQTER-UHFFFAOYSA-N 0 0 457.669 4.801 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)CSc3nncn3-c3ccc(C)cc3)c(Cl)c2)n1 ZINC001447612222 1066828610 /nfs/dbraw/zinc/82/86/10/1066828610.db2.gz CIQZVPUZLQRNKD-UHFFFAOYSA-N 0 0 454.943 4.572 20 0 JJADRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2csc(Br)c2)C1)c1ccccc1 ZINC001447612326 1066828668 /nfs/dbraw/zinc/82/86/68/1066828668.db2.gz UCLJQXHEGMMFIZ-CQSZACIVSA-N 0 0 459.369 4.506 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cc1nc(C(C)C)c(C)s1 ZINC001447612407 1066828788 /nfs/dbraw/zinc/82/87/88/1066828788.db2.gz USECFETUZSRLOS-NRFANRHFSA-N 0 0 452.624 4.579 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N[C@@H](C1CCCC1)C(F)(F)F ZINC001457425148 1066829130 /nfs/dbraw/zinc/82/91/30/1066829130.db2.gz AAYHTQXIZDHWDM-KRWDZBQOSA-N 0 0 454.474 4.509 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(Br)s4)n3CCC(C)C)C2)no1 ZINC001492685164 1066829194 /nfs/dbraw/zinc/82/91/94/1066829194.db2.gz CSUOJFLZKSQEEX-HNNXBMFYSA-N 0 0 479.448 4.966 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(C)(C)C ZINC001457425592 1066829750 /nfs/dbraw/zinc/82/97/50/1066829750.db2.gz LDEJZRXCQBMMFO-GOSISDBHSA-N 0 0 456.377 4.817 20 0 JJADRN CC(C)c1ncc(Cl)c(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)n1 ZINC001457427307 1066829775 /nfs/dbraw/zinc/82/97/75/1066829775.db2.gz IDGDVMPVAYOEGL-UHFFFAOYSA-N 0 0 458.927 4.591 20 0 JJADRN CCOC1(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)CCCC1 ZINC001457426142 1066829791 /nfs/dbraw/zinc/82/97/91/1066829791.db2.gz DSWIJUPZLYNSMM-FQEVSTJZSA-N 0 0 458.599 4.745 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCCCOC(C)C)C2)no1 ZINC001492685849 1066830320 /nfs/dbraw/zinc/83/03/20/1066830320.db2.gz MHNJSQQMFCHQSA-IBGZPJMESA-N 0 0 473.021 4.954 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997582 1066830356 /nfs/dbraw/zinc/83/03/56/1066830356.db2.gz RQJBUTJNOIDVCC-WIYYLYMNSA-N 0 0 459.610 4.938 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1NC(=O)OC(C)(C)C ZINC001447622729 1066830471 /nfs/dbraw/zinc/83/04/71/1066830471.db2.gz RHTXFMHWHXRPPM-GFCCVEGCSA-N 0 0 456.381 4.594 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001447621906 1066830477 /nfs/dbraw/zinc/83/04/77/1066830477.db2.gz PDDGRZXPEXTUIK-FQEVSTJZSA-N 0 0 452.599 4.755 20 0 JJADRN O=C(CCCOc1cccc2ccccc21)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC001457430239 1066830686 /nfs/dbraw/zinc/83/06/86/1066830686.db2.gz QOSFNHYAWHXYNZ-UHFFFAOYSA-N 0 0 459.571 4.702 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(F)ccc3O)CC2)Oc2ccccc21 ZINC001457430020 1066830952 /nfs/dbraw/zinc/83/09/52/1066830952.db2.gz SKHWFQQOYWMSDY-IBGZPJMESA-N 0 0 456.514 4.555 20 0 JJADRN Cc1cccc([C@@H]2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)C2)c1 ZINC001447626495 1066830965 /nfs/dbraw/zinc/83/09/65/1066830965.db2.gz BPWIHPAFXPXELK-LJQANCHMSA-N 0 0 456.514 4.704 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001447627499 1066830984 /nfs/dbraw/zinc/83/09/84/1066830984.db2.gz CWRUSJFEZCYPIP-UHFFFAOYSA-N 0 0 452.617 4.673 20 0 JJADRN CCc1[nH]nc(NC(=O)c2ccnc(Cl)c2I)c1-c1cccs1 ZINC001457433934 1066831381 /nfs/dbraw/zinc/83/13/81/1066831381.db2.gz QFYBZEKONQFFHT-UHFFFAOYSA-N 0 0 458.712 4.606 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(C(F)(F)F)ccc2NC)ccn1 ZINC001457431138 1066831407 /nfs/dbraw/zinc/83/14/07/1066831407.db2.gz JNONIJTWKPMDKC-UHFFFAOYSA-N 0 0 458.440 4.855 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N(C)Cc1cc2ccccc2o1 ZINC001457434427 1066831425 /nfs/dbraw/zinc/83/14/25/1066831425.db2.gz JOCXJSUGYRIKEC-UHFFFAOYSA-N 0 0 455.679 4.972 20 0 JJADRN CCc1cccc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)n1 ZINC001457431615 1066831454 /nfs/dbraw/zinc/83/14/54/1066831454.db2.gz VEHJTRVOWDLEDX-OAQYLSRUSA-N 0 0 451.567 4.667 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)n[nH]1 ZINC001492686896 1066831515 /nfs/dbraw/zinc/83/15/15/1066831515.db2.gz OCVPGHYNRUYBJE-INIZCTEOSA-N 0 0 469.977 4.749 20 0 JJADRN CCN(CC(=O)NCC[C@H]1CCO[C@H](C)C1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447629488 1066831499 /nfs/dbraw/zinc/83/14/99/1066831499.db2.gz INRCFCZTDRUQCU-UXHICEINSA-N 0 0 450.579 4.579 20 0 JJADRN CO[C@@H](C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1Br ZINC001447627463 1066831551 /nfs/dbraw/zinc/83/15/51/1066831551.db2.gz BEEPGGHPZASGQP-QZTJIDSGSA-N 0 0 458.274 4.756 20 0 JJADRN O=C(Cc1csc2ccc(Cl)cc12)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC001457438357 1066831867 /nfs/dbraw/zinc/83/18/67/1066831867.db2.gz SOQMHHGJZQPRBE-UHFFFAOYSA-N 0 0 455.992 4.800 20 0 JJADRN O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(I)cc1O ZINC001447631171 1066832036 /nfs/dbraw/zinc/83/20/36/1066832036.db2.gz RHAUBPCWWNQYFT-UHFFFAOYSA-N 0 0 459.283 4.757 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@@H](C)SCc2nc3ccccc3c(=O)[nH]2)c1-c1cccc(Cl)c1 ZINC001457441213 1066832418 /nfs/dbraw/zinc/83/24/18/1066832418.db2.gz LVWSCMUJPPWZHZ-CYBMUJFWSA-N 0 0 453.955 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1Sc1ccccc1)CCO2 ZINC001457442524 1066832542 /nfs/dbraw/zinc/83/25/42/1066832542.db2.gz FMNMDQVDLJAXJQ-RUZDIDTESA-N 0 0 454.592 4.690 20 0 JJADRN CCCCO[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)C1(C)C ZINC001457448737 1066832926 /nfs/dbraw/zinc/83/29/26/1066832926.db2.gz OGFDQKWSDUASSJ-PKTZIBPZSA-N 0 0 458.624 4.615 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(C(C)C)nc3onc(C)c32)ccn1 ZINC001457452549 1066833001 /nfs/dbraw/zinc/83/30/01/1066833001.db2.gz XROVVIDOQFQPAD-UHFFFAOYSA-N 0 0 459.506 4.762 20 0 JJADRN Nc1ncc(Br)cc1CNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001457447629 1066833069 /nfs/dbraw/zinc/83/30/69/1066833069.db2.gz DYMUAZQDEVUQTR-UHFFFAOYSA-N 0 0 458.168 4.787 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCSC2)cs1 ZINC001492687561 1066833060 /nfs/dbraw/zinc/83/30/60/1066833060.db2.gz IUSUBMVKIPMMSI-ZDUSSCGKSA-N 0 0 470.487 4.718 20 0 JJADRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001457454903 1066833742 /nfs/dbraw/zinc/83/37/42/1066833742.db2.gz TTZRTGWXPQEUMC-RXVVDRJESA-N 0 0 453.583 4.882 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001457452632 1066833767 /nfs/dbraw/zinc/83/37/67/1066833767.db2.gz QOMXBNBDVTUZOS-HDAAZOAOSA-N 0 0 454.533 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001447636958 1066833725 /nfs/dbraw/zinc/83/37/25/1066833725.db2.gz YYMUIGUPAAXYLR-WDSOQIARSA-N 0 0 456.505 4.689 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2)cs1 ZINC001492687955 1066834231 /nfs/dbraw/zinc/83/42/31/1066834231.db2.gz WXICCMRGKYEKFC-UHFFFAOYSA-N 0 0 457.401 4.680 20 0 JJADRN Cc1ccc(C(=O)C2CCN(C(=O)c3cnc4ncc(Br)cc4c3)CC2)c(C)c1 ZINC001457458514 1066834699 /nfs/dbraw/zinc/83/46/99/1066834699.db2.gz ASUOIHLQMQPMRH-UHFFFAOYSA-N 0 0 452.352 4.744 20 0 JJADRN CCCn1ccnc1CCCN(C)C(=O)c1cc(Br)c(C)cc1Br ZINC001447650479 1066835390 /nfs/dbraw/zinc/83/53/90/1066835390.db2.gz FHGZQIBWISMSKK-UHFFFAOYSA-N 0 0 457.210 4.831 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)cs1 ZINC001492690051 1066835544 /nfs/dbraw/zinc/83/55/44/1066835544.db2.gz HRECKDVLKWHONT-CQSZACIVSA-N 0 0 482.473 4.640 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(Br)o2)cs1 ZINC001492690348 1066835556 /nfs/dbraw/zinc/83/55/56/1066835556.db2.gz NZFCGJIQUBRUQD-UHFFFAOYSA-N 0 0 493.456 4.633 20 0 JJADRN Cc1nc(CCn2c(C3CCCC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001492689315 1066835623 /nfs/dbraw/zinc/83/56/23/1066835623.db2.gz QMOQHUYITQYTTF-MRXNPFEDSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1nc(CCn2c(CC(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)cs1 ZINC001492689838 1066835703 /nfs/dbraw/zinc/83/57/03/1066835703.db2.gz FHUIKRXDEUWDQH-UHFFFAOYSA-N 0 0 453.656 4.712 20 0 JJADRN CCCn1ccnc1CCCN(C)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001447650971 1066836013 /nfs/dbraw/zinc/83/60/13/1066836013.db2.gz HZOMCLFUKPWKTD-UHFFFAOYSA-N 0 0 453.431 4.945 20 0 JJADRN O=C(Nc1sccc1C(=O)N1CCO[C@H](COc2ccccc2)C1)c1ccccc1Cl ZINC001447651853 1066836124 /nfs/dbraw/zinc/83/61/24/1066836124.db2.gz FBAKOIWAQUFVQE-KRWDZBQOSA-N 0 0 456.951 4.574 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001492690700 1066836285 /nfs/dbraw/zinc/83/62/85/1066836285.db2.gz PJRSWBUBMBEUES-KRWDZBQOSA-N 0 0 465.545 4.835 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccc3C)nnc2N(C)Cc2cnc(C(C)C)nc2)cs1 ZINC001492690349 1066836289 /nfs/dbraw/zinc/83/62/89/1066836289.db2.gz NZFQJJLCKSMQKS-UHFFFAOYSA-N 0 0 461.639 4.735 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001457467968 1066836733 /nfs/dbraw/zinc/83/67/33/1066836733.db2.gz GBJAGZFYCBHPAQ-STQMWFEESA-N 0 0 455.258 4.545 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCO[C@H](COc4ccccc4)C3)c12 ZINC001447654351 1066836734 /nfs/dbraw/zinc/83/67/34/1066836734.db2.gz JXSCUEBZTOKIQX-FQEVSTJZSA-N 0 0 450.583 4.538 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001457466093 1066836833 /nfs/dbraw/zinc/83/68/33/1066836833.db2.gz MQJRVVVVPYBRBC-QGZVFWFLSA-N 0 0 457.656 4.571 20 0 JJADRN Cc1cnc([C@@H](C)NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)s1 ZINC001457467161 1066836854 /nfs/dbraw/zinc/83/68/54/1066836854.db2.gz XJUKKJQERXVVEG-OAHLLOKOSA-N 0 0 453.568 4.808 20 0 JJADRN CCc1cc(O)ccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC001447657070 1066837336 /nfs/dbraw/zinc/83/73/36/1066837336.db2.gz SLLXABWZWFTXOB-UHFFFAOYSA-N 0 0 450.516 4.666 20 0 JJADRN COC(=O)[C@@H](C)[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)ns1)c1ccccc1 ZINC001457470711 1066837929 /nfs/dbraw/zinc/83/79/29/1066837929.db2.gz LQMXAEVCDYOGJS-DJJJIMSYSA-N 0 0 459.365 4.853 20 0 JJADRN CCc1cc(O)ccc1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001447659053 1066837898 /nfs/dbraw/zinc/83/78/98/1066837898.db2.gz XVKRELBUFMNMOH-UHFFFAOYSA-N 0 0 455.234 4.569 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)cs2)o1 ZINC001447658485 1066837925 /nfs/dbraw/zinc/83/79/25/1066837925.db2.gz CGPHOCHTGAZSGY-UHFFFAOYSA-N 0 0 452.454 4.734 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001447660130 1066838453 /nfs/dbraw/zinc/83/84/53/1066838453.db2.gz KDUJGKRXIHPFMI-JRGCBEDISA-N 0 0 457.533 4.873 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC[S@@]1=O ZINC001447662807 1066838581 /nfs/dbraw/zinc/83/85/81/1066838581.db2.gz JNNOIGOMHCTGKT-YBKRRLQSSA-N 0 0 454.379 4.621 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CCC(C)C)CC2)cs1 ZINC001492692986 1066838815 /nfs/dbraw/zinc/83/88/15/1066838815.db2.gz NAAAMWYRZSUHRE-UHFFFAOYSA-N 0 0 476.597 4.680 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3cccs3)CC2)cs1 ZINC001492693280 1066838873 /nfs/dbraw/zinc/83/88/73/1066838873.db2.gz UONXGWZKFHKEPK-KRWDZBQOSA-N 0 0 458.701 4.603 20 0 JJADRN Cc1noc([C@H](OC(=O)c2cnn(-c3cccc(Br)c3)c2C)c2ccccc2)n1 ZINC001457473458 1066839164 /nfs/dbraw/zinc/83/91/64/1066839164.db2.gz BRGWILCGVVPLAW-LJQANCHMSA-N 0 0 453.296 4.581 20 0 JJADRN CCOC(=O)c1c(NC(=O)C2(F)CCCCC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001457473479 1066839181 /nfs/dbraw/zinc/83/91/81/1066839181.db2.gz CDZRLHZREKEZRE-UHFFFAOYSA-N 0 0 454.564 4.829 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492694029 1066839290 /nfs/dbraw/zinc/83/92/90/1066839290.db2.gz BHRCNAPFVYUMMG-NRFANRHFSA-N 0 0 495.672 4.671 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC001457476769 1066839450 /nfs/dbraw/zinc/83/94/50/1066839450.db2.gz KZIJUUWYXISGDN-RLYFCOPPSA-N 0 0 456.627 4.900 20 0 JJADRN CN(CCCNC(=O)C1CCC1)C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC001447671870 1066839761 /nfs/dbraw/zinc/83/97/61/1066839761.db2.gz ZDEKCONVWVPKLF-UHFFFAOYSA-N 0 0 450.970 4.571 20 0 JJADRN Cc1nc2ccccc2n1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)C ZINC001492694255 1066839871 /nfs/dbraw/zinc/83/98/71/1066839871.db2.gz GOYXHDFWLUIHHJ-QFIPXVFZSA-N 0 0 481.645 4.801 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)s2)cc1 ZINC001457477207 1066840149 /nfs/dbraw/zinc/84/01/49/1066840149.db2.gz QITNNSOOJSJPKJ-PBNKOMEISA-N 0 0 456.589 4.580 20 0 JJADRN COC(=O)c1cc(NC(=O)CCCCC(=O)c2ccc(F)cc2)cc(Br)c1F ZINC001447678700 1066840379 /nfs/dbraw/zinc/84/03/79/1066840379.db2.gz HJOCQUYCXIIDNI-UHFFFAOYSA-N 0 0 454.267 4.896 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NC(C)C)cs1 ZINC001492694929 1066840491 /nfs/dbraw/zinc/84/04/91/1066840491.db2.gz MTPJPWATAFZFSB-WIYYLYMNSA-N 0 0 482.654 4.666 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001447687193 1066840787 /nfs/dbraw/zinc/84/07/87/1066840787.db2.gz KWPFMBJDOHRQFN-DEOSSOPVSA-N 0 0 452.595 4.872 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c3cnn(C(C)C)c3n2)cc1 ZINC001447686498 1066840892 /nfs/dbraw/zinc/84/08/92/1066840892.db2.gz DIWZMLBPWXMEJW-KRWDZBQOSA-N 0 0 451.571 4.631 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccccc3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001492695170 1066840950 /nfs/dbraw/zinc/84/09/50/1066840950.db2.gz QVJATPNHMNGAER-PLTNMMHCSA-N 0 0 457.669 4.907 20 0 JJADRN COC(=O)c1sc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)nc1C(C)(C)C ZINC001457486131 1066841226 /nfs/dbraw/zinc/84/12/26/1066841226.db2.gz PENOUVINVATWKQ-UHFFFAOYSA-N 0 0 450.358 4.652 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)CCO2)cc1 ZINC001447687194 1066841589 /nfs/dbraw/zinc/84/15/89/1066841589.db2.gz KWPFMBJDOHRQFN-XMMPIXPASA-N 0 0 452.595 4.872 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3c(F)cccc3F)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001492695194 1066841688 /nfs/dbraw/zinc/84/16/88/1066841688.db2.gz RYHKCIKYDOUQKL-OGPYBGEISA-N 0 0 493.649 4.801 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccnc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492695342 1066841764 /nfs/dbraw/zinc/84/17/64/1066841764.db2.gz XSKYBPNNVJWRQT-LAUBAEHRSA-N 0 0 497.669 4.950 20 0 JJADRN COC(=O)C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC001457493194 1066842445 /nfs/dbraw/zinc/84/24/45/1066842445.db2.gz YUVJGFYJHPASNI-KRWDZBQOSA-N 0 0 456.789 4.756 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(Cl)cn2)s1 ZINC001492695560 1066842709 /nfs/dbraw/zinc/84/27/09/1066842709.db2.gz GFWLQQUDRTWCNX-UHFFFAOYSA-N 0 0 476.393 4.522 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(C)n2Cc1ccccc1 ZINC001447691047 1066842861 /nfs/dbraw/zinc/84/28/61/1066842861.db2.gz VLHONTHWKCFDRL-KRWDZBQOSA-N 0 0 451.567 4.650 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001457494919 1066843058 /nfs/dbraw/zinc/84/30/58/1066843058.db2.gz WMIBKDWHIRQDFB-UHFFFAOYSA-N 0 0 455.287 4.701 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CCO2)cc1 ZINC001447693445 1066843382 /nfs/dbraw/zinc/84/33/82/1066843382.db2.gz ZSAVEHZROUJWTH-XMMPIXPASA-N 0 0 450.579 4.756 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)CCS1 ZINC001447692272 1066843483 /nfs/dbraw/zinc/84/34/83/1066843483.db2.gz OLCWTEOEQGSQJH-OAHLLOKOSA-N 0 0 452.498 4.691 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)s1 ZINC001492695818 1066843410 /nfs/dbraw/zinc/84/34/10/1066843410.db2.gz NZDBXQDEOCQOCP-FXAWDEMLSA-N 0 0 461.035 4.846 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)n1 ZINC001457499269 1066843606 /nfs/dbraw/zinc/84/36/06/1066843606.db2.gz USBJTSGLJGAWJE-SFHVURJKSA-N 0 0 457.534 4.644 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1Br)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001447694179 1066844048 /nfs/dbraw/zinc/84/40/48/1066844048.db2.gz FFFXWCUMMABOQB-NSHDSACASA-N 0 0 450.682 4.702 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Cl)n2CC(F)(F)Br)s1 ZINC001492695913 1066844008 /nfs/dbraw/zinc/84/40/08/1066844008.db2.gz PKXOOQJBILEBDP-UHFFFAOYSA-N 0 0 462.751 4.988 20 0 JJADRN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC001457504052 1066844804 /nfs/dbraw/zinc/84/48/04/1066844804.db2.gz OOCJMBTYRWFYKI-FQEVSTJZSA-N 0 0 454.593 4.849 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)n2)CC1 ZINC001457504260 1066844918 /nfs/dbraw/zinc/84/49/18/1066844918.db2.gz KUGKXAGHDRCKMN-UHFFFAOYSA-N 0 0 451.383 4.515 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001457505046 1066845604 /nfs/dbraw/zinc/84/56/04/1066845604.db2.gz PJPUFNZPFQTCLA-DOTOQJQBSA-N 0 0 454.368 4.941 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Cl)n2CC[S@](=O)C(C)(C)C)s1 ZINC001492696269 1066845941 /nfs/dbraw/zinc/84/59/41/1066845941.db2.gz ZZZAQUGZFCGHRY-LJAQVGFWSA-N 0 0 452.049 4.547 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC001457506228 1066845982 /nfs/dbraw/zinc/84/59/82/1066845982.db2.gz WWUKCUYCRUPZCV-OAQYLSRUSA-N 0 0 458.628 4.655 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545999660 1066847145 /nfs/dbraw/zinc/84/71/45/1066847145.db2.gz RZGQUWAFQIVBGN-RTWAWAEBSA-N 0 0 495.624 4.768 20 0 JJADRN CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1cccc(OC)c1 ZINC001457512720 1066847182 /nfs/dbraw/zinc/84/71/82/1066847182.db2.gz FULBWHWFIMEMLB-GOSISDBHSA-N 0 0 455.780 4.630 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCOCC2)s1 ZINC001492696478 1066847171 /nfs/dbraw/zinc/84/71/71/1066847171.db2.gz NQRVLCBXKYIRTP-SFHVURJKSA-N 0 0 455.628 4.863 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncnn2C(C)(C)C)s1 ZINC001492696733 1066847643 /nfs/dbraw/zinc/84/76/43/1066847643.db2.gz WAGNOTBYDVEBJM-SFHVURJKSA-N 0 0 494.669 4.831 20 0 JJADRN CC(=O)Nc1ccc2nc(NC(=O)c3cc(=O)[nH]c4c(Br)cccc34)sc2c1 ZINC001457514315 1066847655 /nfs/dbraw/zinc/84/76/55/1066847655.db2.gz KVEQHGIREJJAOU-UHFFFAOYSA-N 0 0 457.309 4.523 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3ncccc3Oc3ccccc3)c2C)ccn1 ZINC001457514298 1066847666 /nfs/dbraw/zinc/84/76/66/1066847666.db2.gz JBHQBVIKKLBQEY-UHFFFAOYSA-N 0 0 455.470 4.948 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)s1 ZINC001492696648 1066847723 /nfs/dbraw/zinc/84/77/23/1066847723.db2.gz SRKATIZKRZBBPS-KNQAVFIVSA-N 0 0 482.654 4.610 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCC3)n2Cc2cccc(NC(=O)CC(C)C)c2)s1 ZINC001492697137 1066848824 /nfs/dbraw/zinc/84/88/24/1066848824.db2.gz JLXXSSVQXKOHLO-UHFFFAOYSA-N 0 0 452.628 4.980 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCC3)n2CCC(=O)Nc2cccc(Cl)c2C)s1 ZINC001492697221 1066848842 /nfs/dbraw/zinc/84/88/42/1066848842.db2.gz MCFAMCVRAZLXLT-UHFFFAOYSA-N 0 0 459.019 4.938 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 ZINC001545999865 1066848857 /nfs/dbraw/zinc/84/88/57/1066848857.db2.gz VKTMDYNCTJWGTQ-UXHICEINSA-N 0 0 472.559 4.531 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Oc1ccccc1F ZINC001545999826 1066848868 /nfs/dbraw/zinc/84/88/68/1066848868.db2.gz USSYYQDDZCZTJS-KDYSTLNUSA-N 0 0 481.616 4.902 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C)Oc4cc(C)ccc43)cc2)cc1 ZINC001457517101 1066849015 /nfs/dbraw/zinc/84/90/15/1066849015.db2.gz FXTKDGIIYBXXMV-LJQANCHMSA-N 0 0 450.560 4.556 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(=O)[nH]1 ZINC001457516325 1066849035 /nfs/dbraw/zinc/84/90/35/1066849035.db2.gz YSFWQJLSOOXZDJ-ZDUSSCGKSA-N 0 0 450.882 4.657 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)cc1 ZINC001457517778 1066849508 /nfs/dbraw/zinc/84/95/08/1066849508.db2.gz VWNPHOPPEHPRES-KRWDZBQOSA-N 0 0 450.564 4.589 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)=NO1 ZINC001457517360 1066849747 /nfs/dbraw/zinc/84/97/47/1066849747.db2.gz HXUXWCGWNPVMFZ-MRXNPFEDSA-N 0 0 452.536 4.571 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)n[nH]2)cc1 ZINC001457519191 1066850098 /nfs/dbraw/zinc/85/00/98/1066850098.db2.gz MGQRHKFSQDZWLZ-LJQANCHMSA-N 0 0 453.587 4.926 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(OC(=O)c3cc(C(F)(F)F)ccc3NC)c2C)ccn1 ZINC001457520543 1066850254 /nfs/dbraw/zinc/85/02/54/1066850254.db2.gz XTNHPGFCQVXYFE-UHFFFAOYSA-N 0 0 459.424 4.822 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C(F)(F)c1ccccc1Br ZINC001447740377 1066850300 /nfs/dbraw/zinc/85/03/00/1066850300.db2.gz XBWRLMGBMRTVGZ-QUCCMNQESA-N 0 0 456.302 4.570 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001457519144 1066850481 /nfs/dbraw/zinc/85/04/81/1066850481.db2.gz PZYDBMJZJVLAJL-NSHDSACASA-N 0 0 450.720 4.576 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)s1 ZINC001492698271 1066850851 /nfs/dbraw/zinc/85/08/51/1066850851.db2.gz SGSGZIFYECENFZ-KRWDZBQOSA-N 0 0 467.517 4.780 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001457522219 1066850961 /nfs/dbraw/zinc/85/09/61/1066850961.db2.gz QUEXNVZJLBIUDA-MRXNPFEDSA-N 0 0 457.017 4.508 20 0 JJADRN CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(Cl)c(C(=O)NCc4cccs4)c3)ccc21 ZINC001457521072 1066850966 /nfs/dbraw/zinc/85/09/66/1066850966.db2.gz UHXZTKNHVVGLSD-UHFFFAOYSA-N 0 0 453.951 4.814 20 0 JJADRN O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001457522636 1066850989 /nfs/dbraw/zinc/85/09/89/1066850989.db2.gz UFUVOOZAAVQQHI-UHFFFAOYSA-N 0 0 459.230 4.931 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](CC)C3)nc1-c1ccccc1 ZINC001457522101 1066850994 /nfs/dbraw/zinc/85/09/94/1066850994.db2.gz UFKKCKZQOYIMAP-CQSZACIVSA-N 0 0 451.548 4.855 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001492697711 1066851005 /nfs/dbraw/zinc/85/10/05/1066851005.db2.gz BUWWZCRBBYIDAY-SFHVURJKSA-N 0 0 462.664 4.525 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC001447744037 1066851468 /nfs/dbraw/zinc/85/14/68/1066851468.db2.gz ADRVZURFWZYKSS-GOSISDBHSA-N 0 0 458.521 4.712 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)s2)cc1 ZINC001457523074 1066851498 /nfs/dbraw/zinc/85/14/98/1066851498.db2.gz ZAXGJCVUQJPASM-LJQANCHMSA-N 0 0 452.551 4.731 20 0 JJADRN O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001447746433 1066851507 /nfs/dbraw/zinc/85/15/07/1066851507.db2.gz WESTYRFATUSQDV-FQEVSTJZSA-N 0 0 452.776 4.734 20 0 JJADRN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001447749333 1066852265 /nfs/dbraw/zinc/85/22/65/1066852265.db2.gz QEPZPGAHZLFUMH-MPCDZSKCSA-N 0 0 450.579 4.624 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC001457527159 1066852254 /nfs/dbraw/zinc/85/22/54/1066852254.db2.gz TWDVTXJYYQAWRL-GJZGRUSLSA-N 0 0 457.368 4.884 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CCOc2ccc(F)c(Cl)c2)CCO1 ZINC001546091657 1066852319 /nfs/dbraw/zinc/85/23/19/1066852319.db2.gz UMCUGKNAOCOOFS-QHCPKHFHSA-N 0 0 459.953 4.525 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccsc3)n2Cc2cccnc2OCC(F)(F)F)s1 ZINC001492698623 1066852451 /nfs/dbraw/zinc/85/24/51/1066852451.db2.gz FJMKMVZTNZZJHT-UHFFFAOYSA-N 0 0 494.568 4.716 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2O)c1C ZINC001447752447 1066852760 /nfs/dbraw/zinc/85/27/60/1066852760.db2.gz HHFDXLILTJNSOK-UHFFFAOYSA-N 0 0 451.182 4.765 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC001447753151 1066853003 /nfs/dbraw/zinc/85/30/03/1066853003.db2.gz IAOGIMXKZONIMR-QGZVFWFLSA-N 0 0 456.417 4.504 20 0 JJADRN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cccc(CN2CCOCC2)c1 ZINC001447751180 1066853034 /nfs/dbraw/zinc/85/30/34/1066853034.db2.gz DRLXXQQPGROXBR-UHFFFAOYSA-N 0 0 452.904 4.653 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCSCc2ccccc2)s1 ZINC001492698735 1066853037 /nfs/dbraw/zinc/85/30/37/1066853037.db2.gz JTKQRBBVLYPMHY-UHFFFAOYSA-N 0 0 450.637 4.599 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CC3)n2Cc2cc(Cl)ccc2OC(F)F)s1 ZINC001492698981 1066853682 /nfs/dbraw/zinc/85/36/82/1066853682.db2.gz SSWPYLSXMMAINS-UHFFFAOYSA-N 0 0 453.946 4.935 20 0 JJADRN CCOCCC1(CNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CCCC1 ZINC001457535575 1066854173 /nfs/dbraw/zinc/85/41/73/1066854173.db2.gz IVGPUOCYZUBBNL-FXBPSFAMSA-N 0 0 451.596 4.503 20 0 JJADRN CCOC(=O)CN(C(=O)c1nn(-c2ccc(F)cc2)cc1C)c1cc(Cl)cc(Cl)c1 ZINC001457536763 1066854365 /nfs/dbraw/zinc/85/43/65/1066854365.db2.gz WZFGFUBWCCKJIG-UHFFFAOYSA-N 0 0 450.297 4.837 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492699243 1066854750 /nfs/dbraw/zinc/85/47/50/1066854750.db2.gz BTGOJDHGMUKFSA-DZGCQCFKSA-N 0 0 451.518 4.852 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)s1 ZINC001492699322 1066854770 /nfs/dbraw/zinc/85/47/70/1066854770.db2.gz FORQXSLQOSADSB-HUUCEWRRSA-N 0 0 462.019 4.888 20 0 JJADRN CCC1(CC)CN(C(=O)c2ccccc2OCC(=O)N(C)C)c2ccc(Br)cc21 ZINC001457539239 1066855135 /nfs/dbraw/zinc/85/51/35/1066855135.db2.gz JSOCWQVYSHWZFD-UHFFFAOYSA-N 0 0 459.384 4.634 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2cscn2)s1 ZINC001492700035 1066855457 /nfs/dbraw/zinc/85/54/57/1066855457.db2.gz BFHJFVJWNCFAEU-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001447763877 1066855772 /nfs/dbraw/zinc/85/57/72/1066855772.db2.gz RVHJFLCGCULMPA-SFHVURJKSA-N 0 0 456.340 4.722 20 0 JJADRN Cc1ccc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c(-n2cc(Cl)cn2)n1 ZINC001447780688 1066856270 /nfs/dbraw/zinc/85/62/70/1066856270.db2.gz JBKBGLAJFZYWEZ-UHFFFAOYSA-N 0 0 457.770 4.877 20 0 JJADRN CCOc1ccc([C@H](NC(=O)CCOc2cccc(C(N)=O)c2)c2cccc(Cl)c2)cc1 ZINC001546000331 1066856315 /nfs/dbraw/zinc/85/63/15/1066856315.db2.gz KXPNIUPALSXVSI-DEOSSOPVSA-N 0 0 452.938 4.512 20 0 JJADRN CCNC(=O)N1CC[C@H](NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 ZINC001457542601 1066856500 /nfs/dbraw/zinc/85/65/00/1066856500.db2.gz NGRPGVXKRXNSAV-QFBILLFUSA-N 0 0 452.407 4.747 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447788447 1066857022 /nfs/dbraw/zinc/85/70/22/1066857022.db2.gz YYWQPNHPXSSFEI-QHLBDZCJSA-N 0 0 451.375 4.785 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492700780 1066857315 /nfs/dbraw/zinc/85/73/15/1066857315.db2.gz SJGYATVGXKZQEP-SFHVURJKSA-N 0 0 476.444 4.772 20 0 JJADRN Cc1ncc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492700816 1066857392 /nfs/dbraw/zinc/85/73/92/1066857392.db2.gz IPSHDWFIIQUESJ-KRWDZBQOSA-N 0 0 496.628 4.687 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC001447790233 1066857640 /nfs/dbraw/zinc/85/76/40/1066857640.db2.gz CVPAMSNDLXYKHP-INIZCTEOSA-N 0 0 454.573 4.772 20 0 JJADRN CC(C)(C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001447790185 1066857748 /nfs/dbraw/zinc/85/77/48/1066857748.db2.gz BVOKLKONBSGWSV-SFHVURJKSA-N 0 0 455.313 4.652 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)c1ccc(Br)cc1Br ZINC001457546361 1066857935 /nfs/dbraw/zinc/85/79/35/1066857935.db2.gz ALSKUIKHBKHKEP-CYBMUJFWSA-N 0 0 452.190 4.783 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CC(=O)NC(C)(C)C)s1 ZINC001492701154 1066857813 /nfs/dbraw/zinc/85/78/13/1066857813.db2.gz XYCNHSXDLYUODK-UHFFFAOYSA-N 0 0 498.653 4.977 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492701122 1066857874 /nfs/dbraw/zinc/85/78/74/1066857874.db2.gz WTGDFTJXYIYFFT-WDEREUQCSA-N 0 0 470.487 4.913 20 0 JJADRN CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457546722 1066857890 /nfs/dbraw/zinc/85/78/90/1066857890.db2.gz SSJJQCIFFKECOE-GMAHTHKFSA-N 0 0 451.636 4.805 20 0 JJADRN CCOC(=O)c1cnc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC001457547672 1066857927 /nfs/dbraw/zinc/85/79/27/1066857927.db2.gz KTBFOPSPKDZBCT-UHFFFAOYSA-N 0 0 454.958 4.787 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cn1 ZINC001447790542 1066858246 /nfs/dbraw/zinc/85/82/46/1066858246.db2.gz AMCRRXGCAJJDCP-CYBMUJFWSA-N 0 0 450.347 4.680 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492701586 1066858391 /nfs/dbraw/zinc/85/83/91/1066858391.db2.gz YWQWWNBRSRHCKT-QUCCMNQESA-N 0 0 474.675 4.831 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457549100 1066858395 /nfs/dbraw/zinc/85/83/95/1066858395.db2.gz DSLVWMJUOIBWPE-OFNKIYASSA-N 0 0 451.611 4.990 20 0 JJADRN C[C@H]1CCc2ccccc2N1CCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457549099 1066858718 /nfs/dbraw/zinc/85/87/18/1066858718.db2.gz DSLVWMJUOIBWPE-NZQKXSOJSA-N 0 0 451.611 4.990 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c12 ZINC001447793921 1066859156 /nfs/dbraw/zinc/85/91/56/1066859156.db2.gz KGHLDWJONAXJQR-OAHLLOKOSA-N 0 0 454.527 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC001457550461 1066859198 /nfs/dbraw/zinc/85/91/98/1066859198.db2.gz CINPVPPRKXSNEW-HDMKZQKVSA-N 0 0 459.978 4.879 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(F)c3)CC2)s1 ZINC001492701746 1066859195 /nfs/dbraw/zinc/85/91/95/1066859195.db2.gz FHVHWERVKCRMCK-UHFFFAOYSA-N 0 0 470.662 4.726 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCCc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457554404 1066859965 /nfs/dbraw/zinc/85/99/65/1066859965.db2.gz YZWCIMNWTLVBKU-QVKFZJNVSA-N 0 0 455.332 4.929 20 0 JJADRN Cc1ncc(Cn2c(N3CCN([C@H](C)c4ccc(F)cc4F)CC3)nnc2C(C)(C)C)s1 ZINC001492702093 1066859970 /nfs/dbraw/zinc/85/99/70/1066859970.db2.gz RJKKNCQVTACFBN-OAHLLOKOSA-N 0 0 460.598 4.550 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492702269 1066860581 /nfs/dbraw/zinc/86/05/81/1066860581.db2.gz XHNFFEKOVCRFHL-IAGOWNOFSA-N 0 0 457.566 4.789 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC=C(C(F)(F)F)CC2)s1 ZINC001492702326 1066860672 /nfs/dbraw/zinc/86/06/72/1066860672.db2.gz CHVQDEJYAGAQID-UHFFFAOYSA-N 0 0 463.529 4.986 20 0 JJADRN Cc1ncc(Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492702431 1066860760 /nfs/dbraw/zinc/86/07/60/1066860760.db2.gz DGAZYWJWASGYEX-JOCHJYFZSA-N 0 0 495.571 4.787 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492702719 1066861164 /nfs/dbraw/zinc/86/11/64/1066861164.db2.gz OUNHHJNSWSZENX-GHTZIAJQSA-N 0 0 496.681 4.730 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001457558815 1066861381 /nfs/dbraw/zinc/86/13/81/1066861381.db2.gz RJYNYHYECRWCLO-RDCABSMISA-N 0 0 455.643 4.760 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cn1 ZINC001492703565 1066861925 /nfs/dbraw/zinc/86/19/25/1066861925.db2.gz AYNLKGAJEYPPCN-HXUWFJFHSA-N 0 0 487.652 4.967 20 0 JJADRN Cc1cc(C(=O)NC(C)(C)CC2CCCCCC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001447802462 1066862201 /nfs/dbraw/zinc/86/22/01/1066862201.db2.gz YIFIKLOKIXKZAU-UHFFFAOYSA-N 0 0 459.656 4.670 20 0 JJADRN O=C(Nc1ccccc1C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)OCc1ccccc1 ZINC001447801831 1066862340 /nfs/dbraw/zinc/86/23/40/1066862340.db2.gz NBXAZODYBMHELC-HTAPYJJXSA-N 0 0 450.457 4.649 20 0 JJADRN O=C(NOCc1ccc(F)cc1Br)c1csc(COc2ccc(F)cc2)n1 ZINC001447802175 1066862358 /nfs/dbraw/zinc/86/23/58/1066862358.db2.gz VSOPAOPDMUGLGF-UHFFFAOYSA-N 0 0 455.280 4.624 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1F ZINC001492703856 1066862486 /nfs/dbraw/zinc/86/24/86/1066862486.db2.gz HMPXATUYESRWOV-GOSISDBHSA-N 0 0 497.619 4.529 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC001492704315 1066862515 /nfs/dbraw/zinc/86/25/15/1066862515.db2.gz YDZPANRAATZWBE-GOSISDBHSA-N 0 0 480.510 4.631 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)cc1F ZINC001492704333 1066863130 /nfs/dbraw/zinc/86/31/30/1066863130.db2.gz ZEQJIFXWHBZGNE-DLBZAZTESA-N 0 0 456.635 4.878 20 0 JJADRN CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 ZINC001457565286 1066863601 /nfs/dbraw/zinc/86/36/01/1066863601.db2.gz GXRAGLFYZDWKAX-FQEVSTJZSA-N 0 0 450.514 4.554 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001457564659 1066863649 /nfs/dbraw/zinc/86/36/49/1066863649.db2.gz PEYIZGVIDMLKBH-SGTLLEGYSA-N 0 0 454.329 4.863 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001492705178 1066863907 /nfs/dbraw/zinc/86/39/07/1066863907.db2.gz XYTSIZCCGKKEAL-KRWDZBQOSA-N 0 0 487.446 4.697 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCOC(C)(C)C ZINC001492704708 1066864012 /nfs/dbraw/zinc/86/40/12/1066864012.db2.gz LDGYCSHAIUJQOM-UHFFFAOYSA-N 0 0 463.630 4.673 20 0 JJADRN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565304 1066864153 /nfs/dbraw/zinc/86/41/53/1066864153.db2.gz ILMJBRSTYZLDAT-UPJWGTAASA-N 0 0 459.805 4.634 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C ZINC001492705286 1066864904 /nfs/dbraw/zinc/86/49/04/1066864904.db2.gz BBPIMAMOJCGGPN-HNNXBMFYSA-N 0 0 493.837 4.571 20 0 JJADRN CCOC(=O)c1c(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)sc2c1CCCC2 ZINC001447811870 1066865007 /nfs/dbraw/zinc/86/50/07/1066865007.db2.gz USDDGCAWKRMZPD-UHFFFAOYSA-N 0 0 455.580 4.686 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)Nc3ccc(CN(C)C)c(Br)c3)C2=O)cc1 ZINC001447819217 1066865622 /nfs/dbraw/zinc/86/56/22/1066865622.db2.gz QAMPCLIEDOBMOL-HXUWFJFHSA-N 0 0 458.400 4.626 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCSC(C)(C)C1)Oc1cccc(F)c1 ZINC001546000761 1066866395 /nfs/dbraw/zinc/86/63/95/1066866395.db2.gz AIVLTCJUSNCLKI-HXUWFJFHSA-N 0 0 455.603 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2c(O)cnc3ccc(Cl)cc32)CC1 ZINC001457571303 1066867202 /nfs/dbraw/zinc/86/72/02/1066867202.db2.gz ATOYOUOOUQKXLR-IBGZPJMESA-N 0 0 459.974 4.846 20 0 JJADRN COCc1[nH]nc(NC(=O)CCCc2nnc(-c3ccccc3)o2)c1-c1ccc(Cl)cc1 ZINC001457571324 1066867245 /nfs/dbraw/zinc/86/72/45/1066867245.db2.gz AVAVLZLEJPOAHY-UHFFFAOYSA-N 0 0 451.914 4.888 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001447837596 1066867474 /nfs/dbraw/zinc/86/74/74/1066867474.db2.gz MXLVYONSPOEMCU-NZQKXSOJSA-N 0 0 457.412 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC001447841033 1066867565 /nfs/dbraw/zinc/86/75/65/1066867565.db2.gz OCJNONUTHSZTOA-HXUWFJFHSA-N 0 0 452.555 4.850 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccn(C)c2c1 ZINC001447845624 1066868444 /nfs/dbraw/zinc/86/84/44/1066868444.db2.gz VWOBDUHGIHFEEW-GOSISDBHSA-N 0 0 450.391 4.975 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccn1 ZINC001447844908 1066868462 /nfs/dbraw/zinc/86/84/62/1066868462.db2.gz ZXBZCOYBKHSZTA-FJIJXJHWSA-N 0 0 451.611 4.950 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCCCN1Cc1cccnc1 ZINC001447845492 1066868506 /nfs/dbraw/zinc/86/85/06/1066868506.db2.gz ICEHJKCLTPNMNB-GOTSBHOMSA-N 0 0 456.428 4.726 20 0 JJADRN Cc1nccn1CCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001492706468 1066868543 /nfs/dbraw/zinc/86/85/43/1066868543.db2.gz NSHQBVDZHCJCOV-JOCHJYFZSA-N 0 0 457.022 4.693 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706829 1066869131 /nfs/dbraw/zinc/86/91/31/1066869131.db2.gz BILIZPFSUJFGHJ-MRXNPFEDSA-N 0 0 474.451 4.514 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846196 1066869155 /nfs/dbraw/zinc/86/91/55/1066869155.db2.gz XZXFAIKFIRIMJF-GHTZIAJQSA-N 0 0 453.583 4.750 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492706725 1066869229 /nfs/dbraw/zinc/86/92/29/1066869229.db2.gz YCUBFOOAEMNUQN-VSKRKVRLSA-N 0 0 485.677 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001447847002 1066869750 /nfs/dbraw/zinc/86/97/50/1066869750.db2.gz ZVZVBAIWUHMLLZ-ZWKOTPCHSA-N 0 0 459.414 4.959 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001447850004 1066869795 /nfs/dbraw/zinc/86/97/95/1066869795.db2.gz AUKSRXYXQOGSLZ-GOSISDBHSA-N 0 0 458.274 4.679 20 0 JJADRN Cc1nccn1CCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001492707063 1066869895 /nfs/dbraw/zinc/86/98/95/1066869895.db2.gz KFPDOXDPXJEWOH-UHFFFAOYSA-N 0 0 454.594 4.686 20 0 JJADRN Cc1nccn1CCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001492706973 1066870072 /nfs/dbraw/zinc/87/00/72/1066870072.db2.gz GTOUMMYBBHLCJF-INIZCTEOSA-N 0 0 467.565 4.856 20 0 JJADRN Cc1nccn1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)(F)F ZINC001492706867 1066870140 /nfs/dbraw/zinc/87/01/40/1066870140.db2.gz CRMIESNTULIWHS-UHFFFAOYSA-N 0 0 458.435 4.530 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492707460 1066870701 /nfs/dbraw/zinc/87/07/01/1066870701.db2.gz WGRXNKTUJLIMGA-HSZRJFAPSA-N 0 0 450.631 4.843 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)(F)F ZINC001492707341 1066870854 /nfs/dbraw/zinc/87/08/54/1066870854.db2.gz SHHHWMIXEPRPIP-HNNXBMFYSA-N 0 0 454.472 4.541 20 0 JJADRN Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)sc1C ZINC001457581092 1066870771 /nfs/dbraw/zinc/87/07/71/1066870771.db2.gz DVBDULOJUMYVMV-CVDCTZTESA-N 0 0 453.633 4.973 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@@H](C)c1c(F)cccc1-n1cccn1 ZINC001457582300 1066870779 /nfs/dbraw/zinc/87/07/79/1066870779.db2.gz XKVHCYGAIZVDPJ-INIZCTEOSA-N 0 0 450.466 4.672 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC001457581257 1066870803 /nfs/dbraw/zinc/87/08/03/1066870803.db2.gz FHKWDLGOTSJODI-SFHVURJKSA-N 0 0 451.361 4.859 20 0 JJADRN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001457582427 1066871365 /nfs/dbraw/zinc/87/13/65/1066871365.db2.gz FSLQHZLWAPDPRW-UHFFFAOYSA-N 0 0 459.937 4.750 20 0 JJADRN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1c[nH]c(=O)c(Br)c1 ZINC001457583847 1066871535 /nfs/dbraw/zinc/87/15/35/1066871535.db2.gz YVBUGYYQVRAGCZ-UHFFFAOYSA-N 0 0 457.762 4.599 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001492708239 1066871540 /nfs/dbraw/zinc/87/15/40/1066871540.db2.gz ULGDUQTYCCQEJD-UHFFFAOYSA-N 0 0 497.619 4.563 20 0 JJADRN Cc1nccn1CCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001492707774 1066871620 /nfs/dbraw/zinc/87/16/20/1066871620.db2.gz HFURBVFBDIYJEY-HXUWFJFHSA-N 0 0 473.419 4.514 20 0 JJADRN Cc1nccn1CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 ZINC001492707806 1066871672 /nfs/dbraw/zinc/87/16/72/1066871672.db2.gz IEDFYXNRZQDGPY-FQEVSTJZSA-N 0 0 499.685 4.686 20 0 JJADRN O=C(CCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)N1CCC(c2ccccc2)=N1 ZINC001457583293 1066871608 /nfs/dbraw/zinc/87/16/08/1066871608.db2.gz IIJUEOHZVSNNRY-UHFFFAOYSA-N 0 0 455.480 4.738 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001447869385 1066872385 /nfs/dbraw/zinc/87/23/85/1066872385.db2.gz OBSDMLOOZNMYCF-YPMHNXCESA-N 0 0 459.559 4.698 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)c2ccccc2N1Cc1ccccc1 ZINC001447869446 1066872713 /nfs/dbraw/zinc/87/27/13/1066872713.db2.gz IFKJBCSAFJUNQA-UZUQRXQVSA-N 0 0 451.364 4.924 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001447874314 1066872913 /nfs/dbraw/zinc/87/29/13/1066872913.db2.gz WQPJWBYMRFUFIA-LRDDRELGSA-N 0 0 458.340 4.574 20 0 JJADRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC001447871038 1066872925 /nfs/dbraw/zinc/87/29/25/1066872925.db2.gz OCFQHEAFPINDNF-MUUNZHRXSA-N 0 0 457.574 4.805 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccccc1 ZINC001457589123 1066872905 /nfs/dbraw/zinc/87/29/05/1066872905.db2.gz BPRWTSQFXUGHGS-XMMPIXPASA-N 0 0 458.558 4.595 20 0 JJADRN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001492708836 1066873003 /nfs/dbraw/zinc/87/30/03/1066873003.db2.gz NINCTIUBHMQEIU-NRFANRHFSA-N 0 0 457.022 4.693 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC001546001144 1066873464 /nfs/dbraw/zinc/87/34/64/1066873464.db2.gz HUCRFUKLRUMFGM-ISKFKSNPSA-N 0 0 488.680 4.835 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1F ZINC001492709438 1066873847 /nfs/dbraw/zinc/87/38/47/1066873847.db2.gz IWISXQAXESXMNU-IFMALSPDSA-N 0 0 454.594 4.567 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)[C@@H](C)Sc1ccc(Br)cc1)c1ccccc1 ZINC001457595227 1066874120 /nfs/dbraw/zinc/87/41/20/1066874120.db2.gz IFKNOTZBVJLABF-RDTXWAMCSA-N 0 0 450.398 4.986 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(C)cc2OCC2CC2)nn1-c1ccc(Br)cc1 ZINC001457595395 1066874661 /nfs/dbraw/zinc/87/46/61/1066874661.db2.gz JUDUPDRUWKKEKY-UHFFFAOYSA-N 0 0 454.368 4.970 20 0 JJADRN CCCc1ccc(-c2cc(NC(=O)c3cc(C)n(C4CCOCC4)c3C)n(CCO)n2)cc1 ZINC001457594823 1066874719 /nfs/dbraw/zinc/87/47/19/1066874719.db2.gz RUOMCQAYDKJXKP-UHFFFAOYSA-N 0 0 450.583 4.517 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447905134 1066874861 /nfs/dbraw/zinc/87/48/61/1066874861.db2.gz OTGJVVOCIMJKJI-HSZRJFAPSA-N 0 0 453.897 4.689 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCc1nc2cc(Cl)ccc2s1 ZINC001457598079 1066875246 /nfs/dbraw/zinc/87/52/46/1066875246.db2.gz YCCQAEAFGBKFTO-UHFFFAOYSA-N 0 0 456.980 4.560 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1ccc(OC)c(Cl)c1 ZINC001447910319 1066875477 /nfs/dbraw/zinc/87/54/77/1066875477.db2.gz XKCSZPFMGZFGJZ-NYHFZMIOSA-N 0 0 454.910 4.528 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1ccc(OC)c(Cl)c1 ZINC001447910320 1066876085 /nfs/dbraw/zinc/87/60/85/1066876085.db2.gz XKCSZPFMGZFGJZ-OYHNWAKOSA-N 0 0 454.910 4.528 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447915197 1066876138 /nfs/dbraw/zinc/87/61/38/1066876138.db2.gz BWSVDLOWEOYABQ-VWLOTQADSA-N 0 0 453.542 4.746 20 0 JJADRN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(OC(F)(F)F)cc1Br ZINC001457606755 1066876717 /nfs/dbraw/zinc/87/67/17/1066876717.db2.gz MEUSCNYLHOHWPJ-UHFFFAOYSA-N 0 0 454.202 4.763 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3cc(-c4ccccc4F)no3)CC2=O)ccc1Br ZINC001457606458 1066876812 /nfs/dbraw/zinc/87/68/12/1066876812.db2.gz JYTWZXIBWBDMHV-CYBMUJFWSA-N 0 0 458.287 4.543 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001492711862 1066876861 /nfs/dbraw/zinc/87/68/61/1066876861.db2.gz IVWPUOGYZUNKOY-WOJBJXKFSA-N 0 0 450.631 4.842 20 0 JJADRN CC[C@](O)(C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001447921063 1066876832 /nfs/dbraw/zinc/87/68/32/1066876832.db2.gz PAQIGUNXCMVYLG-ZEQKJWHPSA-N 0 0 451.950 4.581 20 0 JJADRN Cc1nccn1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001492711377 1066877000 /nfs/dbraw/zinc/87/70/00/1066877000.db2.gz SGVXYFOZUKFHCY-DENIHFKCSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001492712350 1066877579 /nfs/dbraw/zinc/87/75/79/1066877579.db2.gz AMSGTEBBRKFRGX-AVRDEDQJSA-N 0 0 487.073 4.990 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C)CC1 ZINC001492712028 1066877820 /nfs/dbraw/zinc/87/78/20/1066877820.db2.gz PRIPNCMMZHBEBP-MRXNPFEDSA-N 0 0 463.413 4.995 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492712976 1066878573 /nfs/dbraw/zinc/87/85/73/1066878573.db2.gz SVHDDLYWQCJDHG-MOPGFXCFSA-N 0 0 452.578 4.771 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492712681 1066878604 /nfs/dbraw/zinc/87/86/04/1066878604.db2.gz KPCAWHMKMHHTAL-VQTJNVASSA-N 0 0 452.578 4.771 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492713187 1066878610 /nfs/dbraw/zinc/87/86/10/1066878610.db2.gz ZVXKJKQQDUGIMW-JZXOWHBKSA-N 0 0 474.531 4.626 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001447939609 1066878700 /nfs/dbraw/zinc/87/87/00/1066878700.db2.gz LPPJRRWHSOYPJH-UHFFFAOYSA-N 0 0 457.452 4.703 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492713403 1066879059 /nfs/dbraw/zinc/87/90/59/1066879059.db2.gz ITRMATKEKGCNNT-KBPBESRZSA-N 0 0 491.434 4.518 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC001457614111 1066879065 /nfs/dbraw/zinc/87/90/65/1066879065.db2.gz HDTSUNDUGDIHAG-UHFFFAOYSA-N 0 0 455.580 4.563 20 0 JJADRN COc1ccc2cc(C(=O)NC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc2c1 ZINC001447942390 1066879448 /nfs/dbraw/zinc/87/94/48/1066879448.db2.gz VVARZAQGPUUBTO-UHFFFAOYSA-N 0 0 456.464 4.902 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC(C)C)CCO1 ZINC001546092518 1066879725 /nfs/dbraw/zinc/87/97/25/1066879725.db2.gz BGAMSHPGVBUXGZ-AREMUKBSSA-N 0 0 493.693 4.603 20 0 JJADRN COc1cc(Cl)ccc1C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457615432 1066879792 /nfs/dbraw/zinc/87/97/92/1066879792.db2.gz NKIDGZFTTZXSNQ-UHFFFAOYSA-N 0 0 453.667 4.596 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492713626 1066880158 /nfs/dbraw/zinc/88/01/58/1066880158.db2.gz PRXHVLCSBYFCDX-XMMPIXPASA-N 0 0 499.457 4.690 20 0 JJADRN Cc1sc([C@H](C)NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1-c1ccc(Cl)cc1 ZINC001457617577 1066880211 /nfs/dbraw/zinc/88/02/11/1066880211.db2.gz VDHNZUDJYRLFDR-RPLLJCPNSA-N 0 0 459.999 4.513 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cc(-c4ccccc4F)no3)cc2)cc1 ZINC001457615798 1066880268 /nfs/dbraw/zinc/88/02/68/1066880268.db2.gz UNGJNPSITQBTTL-UHFFFAOYSA-N 0 0 459.477 4.601 20 0 JJADRN C[C@H](NC(=O)c1cnc(Br)c(Br)c1)c1cccc(N2CCCC2)c1 ZINC001457617462 1066880312 /nfs/dbraw/zinc/88/03/12/1066880312.db2.gz KBESSJRIBHTTDT-LBPRGKRZSA-N 0 0 453.178 4.698 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447952328 1066880519 /nfs/dbraw/zinc/88/05/19/1066880519.db2.gz VJXOCKMFOBBCBX-UXHICEINSA-N 0 0 450.753 4.871 20 0 JJADRN CC(C)[C@@H](CNC(=O)CCC[S@](=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC001447950833 1066880540 /nfs/dbraw/zinc/88/05/40/1066880540.db2.gz FFDSZBJFKBBHMA-WINIVTDRSA-N 0 0 450.442 4.968 20 0 JJADRN Cc1nccnc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492713917 1066880818 /nfs/dbraw/zinc/88/08/18/1066880818.db2.gz APSJQQUHROOCJL-LJQANCHMSA-N 0 0 497.688 4.606 20 0 JJADRN Cc1nccnc1CCn1c(CC2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492714358 1066880890 /nfs/dbraw/zinc/88/08/90/1066880890.db2.gz HRSLPZSVTBPMSC-UHFFFAOYSA-N 0 0 476.469 4.673 20 0 JJADRN Cc1sc([C@@H](C)NC(=O)C2CCN(Cc3nccn3C)CC2)nc1-c1ccc(Cl)cc1 ZINC001457618534 1066881007 /nfs/dbraw/zinc/88/10/07/1066881007.db2.gz WKPKRFHBGZEAHT-OAHLLOKOSA-N 0 0 458.031 4.595 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C)Sc4ccccc43)CC2)c(C)c1 ZINC001457618410 1066881112 /nfs/dbraw/zinc/88/11/12/1066881112.db2.gz LJIIJYQYWDJVTR-IBGZPJMESA-N 0 0 458.649 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001447953090 1066881088 /nfs/dbraw/zinc/88/10/88/1066881088.db2.gz AYVOXDPBUYIHRS-QZTJIDSGSA-N 0 0 453.421 4.970 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)CCO1 ZINC001546092940 1066881526 /nfs/dbraw/zinc/88/15/26/1066881526.db2.gz HVPCRZPPHKWVHF-WMZHIEFXSA-N 0 0 482.547 4.823 20 0 JJADRN Cc1sc([C@H](C)NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)nc1-c1ccc(Cl)cc1 ZINC001457619455 1066881660 /nfs/dbraw/zinc/88/16/60/1066881660.db2.gz ZJNCZKUHEQUNRZ-NSHDSACASA-N 0 0 452.960 4.806 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1 ZINC001447954835 1066881626 /nfs/dbraw/zinc/88/16/26/1066881626.db2.gz XVZYXFLJEHXEGB-LAOHPYGUSA-N 0 0 453.391 4.549 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 ZINC001447954842 1066881698 /nfs/dbraw/zinc/88/16/98/1066881698.db2.gz XVZYXFLJEHXEGB-WWGWPZPMSA-N 0 0 453.391 4.549 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001492716540 1066882027 /nfs/dbraw/zinc/88/20/27/1066882027.db2.gz OKCJOUCAYGEKMF-UHFFFAOYSA-N 0 0 464.536 4.515 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1csc(CCc2ccccc2)n1 ZINC001492716299 1066882092 /nfs/dbraw/zinc/88/20/92/1066882092.db2.gz FPHWVRVYSZJVMU-UHFFFAOYSA-N 0 0 477.682 4.852 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001457620063 1066882252 /nfs/dbraw/zinc/88/22/52/1066882252.db2.gz BWNZUIBHXNDEGJ-GOSISDBHSA-N 0 0 453.564 4.774 20 0 JJADRN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC001457620503 1066882266 /nfs/dbraw/zinc/88/22/66/1066882266.db2.gz PGAHTFOTUHRTFT-JTQLQIEISA-N 0 0 452.812 4.769 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001457622175 1066882672 /nfs/dbraw/zinc/88/26/72/1066882672.db2.gz TYXLVEOZDJESKJ-QGZVFWFLSA-N 0 0 451.748 4.745 20 0 JJADRN CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001447958973 1066882720 /nfs/dbraw/zinc/88/27/20/1066882720.db2.gz OSVUXKHVUGOFQL-IRXDYDNUSA-N 0 0 457.596 4.590 20 0 JJADRN CCCc1nc(C)c(NC(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)s1 ZINC001447958904 1066882762 /nfs/dbraw/zinc/88/27/62/1066882762.db2.gz NNYKFBFLYXYWSM-UHFFFAOYSA-N 0 0 459.593 4.916 20 0 JJADRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1ccc(OCC(F)(F)F)cc1 ZINC001457622052 1066883268 /nfs/dbraw/zinc/88/32/68/1066883268.db2.gz YHAPCVGNPMSJGE-UHFFFAOYSA-N 0 0 459.197 4.567 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001492717308 1066883727 /nfs/dbraw/zinc/88/37/27/1066883727.db2.gz QSGAFLOFDKGGKU-CRAIPNDOSA-N 0 0 458.557 4.969 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC001457626085 1066884317 /nfs/dbraw/zinc/88/43/17/1066884317.db2.gz USUSUHBYCPQEHZ-SNVBAGLBSA-N 0 0 453.299 4.830 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(C)C2CCC(C)(C)CC2)c1 ZINC001457625777 1066884343 /nfs/dbraw/zinc/88/43/43/1066884343.db2.gz DBHSZSORJHWPRF-UHFFFAOYSA-N 0 0 459.450 4.520 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001457626674 1066884421 /nfs/dbraw/zinc/88/44/21/1066884421.db2.gz FKOJWNWOERPNHP-KRWDZBQOSA-N 0 0 450.398 4.622 20 0 JJADRN Cc1cc(Br)c2ccccc2c1NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001457625951 1066884498 /nfs/dbraw/zinc/88/44/98/1066884498.db2.gz KHWQIJOOINRKKX-CYBMUJFWSA-N 0 0 450.329 4.851 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)C1(C)C ZINC001447968201 1066884882 /nfs/dbraw/zinc/88/48/82/1066884882.db2.gz DUSGOGRDPIELEG-DRSNIGMVSA-N 0 0 458.521 4.547 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC001457630196 1066885616 /nfs/dbraw/zinc/88/56/16/1066885616.db2.gz CCEXEUQFUNNLBZ-DDHLJCNDSA-N 0 0 451.423 4.766 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCC1N=NC(=S)N1C1CC1 ZINC001457630202 1066885660 /nfs/dbraw/zinc/88/56/60/1066885660.db2.gz CCEXEUQFUNNLBZ-OGSNSTLMSA-N 0 0 451.423 4.766 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001492718002 1066886027 /nfs/dbraw/zinc/88/60/27/1066886027.db2.gz ZGYCPQFUWFDGKP-HNNXBMFYSA-N 0 0 483.979 4.587 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC=CCC1 ZINC001492717999 1066886191 /nfs/dbraw/zinc/88/61/91/1066886191.db2.gz ZGCFVIPBSGWIOO-UXHICEINSA-N 0 0 452.578 4.900 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c(OC(C)C)c1 ZINC001457631354 1066886753 /nfs/dbraw/zinc/88/67/53/1066886753.db2.gz JLUKYHGSDQWJIM-JOCHJYFZSA-N 0 0 454.636 4.911 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492718469 1066887370 /nfs/dbraw/zinc/88/73/70/1066887370.db2.gz HEJWPFKGAGOWRQ-UHFFFAOYSA-N 0 0 483.711 4.914 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001447981300 1066887373 /nfs/dbraw/zinc/88/73/73/1066887373.db2.gz KNAJDEGZLLBDHW-UHFFFAOYSA-N 0 0 451.611 4.814 20 0 JJADRN COc1cc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)ccc1C ZINC001447979966 1066887434 /nfs/dbraw/zinc/88/74/34/1066887434.db2.gz FWZCDHLVHZKKIE-QHCPKHFHSA-N 0 0 455.501 4.910 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@H]1C ZINC001492719052 1066887786 /nfs/dbraw/zinc/88/77/86/1066887786.db2.gz YAAGBCLEYNLOOV-KOSHJBKYSA-N 0 0 468.621 4.590 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC001457634075 1066887893 /nfs/dbraw/zinc/88/78/93/1066887893.db2.gz CNWXVYXWHZVRNL-OAQYLSRUSA-N 0 0 456.329 4.684 20 0 JJADRN Cc1nn(C(C)(C)C)cc1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC001447983329 1066888106 /nfs/dbraw/zinc/88/81/06/1066888106.db2.gz NAOKXRCLCZHSOW-QFIPXVFZSA-N 0 0 457.521 4.924 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457635707 1066888655 /nfs/dbraw/zinc/88/86/55/1066888655.db2.gz YUXBRICCUGFCJN-LLVKDONJSA-N 0 0 453.770 4.661 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccsc1)Oc1cccc(F)c1 ZINC001546002067 1066889223 /nfs/dbraw/zinc/88/92/23/1066889223.db2.gz YZQMFBPAPWZIGC-OAQYLSRUSA-N 0 0 451.571 4.959 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1 ZINC001492720032 1066889461 /nfs/dbraw/zinc/88/94/61/1066889461.db2.gz CKWZQTMBVFSIMN-FYYLOGMGSA-N 0 0 468.621 4.565 20 0 JJADRN O=C(NOCCC(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001448005655 1066889824 /nfs/dbraw/zinc/88/98/24/1066889824.db2.gz PUHREGLNOIOUDA-UHFFFAOYSA-N 0 0 454.246 4.916 20 0 JJADRN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC001457649306 1066890151 /nfs/dbraw/zinc/89/01/51/1066890151.db2.gz YDNVTNBPNCDYID-LJQANCHMSA-N 0 0 458.628 4.887 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2ccc(Br)cc12 ZINC001457650424 1066890228 /nfs/dbraw/zinc/89/02/28/1066890228.db2.gz ZOGQVDUNQLXQOY-CQSZACIVSA-N 0 0 452.274 4.958 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC001457648185 1066890423 /nfs/dbraw/zinc/89/04/23/1066890423.db2.gz BMOBQJUISOBMGU-QFIPXVFZSA-N 0 0 452.938 4.503 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492720709 1066890506 /nfs/dbraw/zinc/89/05/06/1066890506.db2.gz YWTKXNWWDHOOIK-DENIHFKCSA-N 0 0 487.048 4.721 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)C ZINC001492720662 1066890540 /nfs/dbraw/zinc/89/05/40/1066890540.db2.gz WVNFIADLVDHPCG-NRFANRHFSA-N 0 0 473.666 4.773 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nccs1 ZINC001492720576 1066890570 /nfs/dbraw/zinc/89/05/70/1066890570.db2.gz TVMRPHSAGUXLRY-UHFFFAOYSA-N 0 0 474.059 4.715 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001492720780 1066890792 /nfs/dbraw/zinc/89/07/92/1066890792.db2.gz ALPCAWUAZAQMOC-LSDHHAIUSA-N 0 0 457.420 4.589 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 ZINC001492720732 1066891009 /nfs/dbraw/zinc/89/10/09/1066891009.db2.gz ZGPIHGQDNMQWSK-SFHVURJKSA-N 0 0 475.062 4.637 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492720896 1066891458 /nfs/dbraw/zinc/89/14/58/1066891458.db2.gz FBQVIURNKKYEPV-ZDUSSCGKSA-N 0 0 474.009 4.833 20 0 JJADRN Cc1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c(OCC(F)(F)F)c1 ZINC001457659936 1066891620 /nfs/dbraw/zinc/89/16/20/1066891620.db2.gz FTBYQOYOQNDSIS-UHFFFAOYSA-N 0 0 451.420 4.764 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001492720955 1066891617 /nfs/dbraw/zinc/89/16/17/1066891617.db2.gz GWISFKGUUVEMLA-BETUJISGSA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001492721088 1066892073 /nfs/dbraw/zinc/89/20/73/1066892073.db2.gz LLZKWHLEFSGOKC-UONOGXRCSA-N 0 0 475.410 4.728 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001492721200 1066892139 /nfs/dbraw/zinc/89/21/39/1066892139.db2.gz PDLPAMUYNPWRCQ-OKILXGFUSA-N 0 0 493.400 4.834 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492721100 1066892187 /nfs/dbraw/zinc/89/21/87/1066892187.db2.gz LUTZKQRAFJVXQS-XMMPIXPASA-N 0 0 457.022 4.639 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOC(C)(C)C ZINC001492721201 1066892300 /nfs/dbraw/zinc/89/23/00/1066892300.db2.gz PDNNLNATVYKTMB-INIZCTEOSA-N 0 0 470.687 4.781 20 0 JJADRN COc1ccc(N2C[C@@H](C(=O)N[C@@H](COc3c(C)cccc3C)c3ccccc3)CC2=O)cc1 ZINC001457662545 1066892734 /nfs/dbraw/zinc/89/27/34/1066892734.db2.gz LQEADIPYIAEQIX-DHLKQENFSA-N 0 0 458.558 4.601 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1Cc3c(cccc3C)N1C(=O)OC(C)(C)C)CCO2 ZINC001448033253 1066892873 /nfs/dbraw/zinc/89/28/73/1066892873.db2.gz XAAGEPWKMSOPSP-UNMCSNQZSA-N 0 0 452.551 4.700 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)CC2 ZINC001448031357 1066892927 /nfs/dbraw/zinc/89/29/27/1066892927.db2.gz PNFPEBONYLDSDV-KRWDZBQOSA-N 0 0 459.587 4.816 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Br)o2)cc1 ZINC001457664960 1066893215 /nfs/dbraw/zinc/89/32/15/1066893215.db2.gz XDVMUDBCIJJGEI-UHFFFAOYSA-N 0 0 454.733 4.892 20 0 JJADRN COc1cc(OC)c(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1F ZINC001457665438 1066893232 /nfs/dbraw/zinc/89/32/32/1066893232.db2.gz OFLMJHYOZFXRBD-MRXNPFEDSA-N 0 0 450.551 4.989 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492722227 1066893261 /nfs/dbraw/zinc/89/32/61/1066893261.db2.gz VZLKSFOKKOIAGQ-RTWAWAEBSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(COc2ccccc2)CC1 ZINC001492721526 1066893384 /nfs/dbraw/zinc/89/33/84/1066893384.db2.gz BDWFJCAUBBNZAV-UHFFFAOYSA-N 0 0 450.631 4.561 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)OC(C)C ZINC001448048893 1066893369 /nfs/dbraw/zinc/89/33/69/1066893369.db2.gz IMSIFRZBHFVYEM-GOTSBHOMSA-N 0 0 456.583 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3Cc4cccc(Br)c4C3)cc2C1 ZINC001448045243 1066893386 /nfs/dbraw/zinc/89/33/86/1066893386.db2.gz BGKYAYYTBULJTR-UHFFFAOYSA-N 0 0 457.368 4.898 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2Cc3cccc(Br)c3C2)cc1 ZINC001448046251 1066893455 /nfs/dbraw/zinc/89/34/55/1066893455.db2.gz CVZQATJDZBOTPZ-OAQYLSRUSA-N 0 0 458.400 4.514 20 0 JJADRN Cc1[nH]nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1-c1cccc(Cl)c1 ZINC001457666489 1066893762 /nfs/dbraw/zinc/89/37/62/1066893762.db2.gz UYJKKQZZFCBQKI-HNNXBMFYSA-N 0 0 454.905 4.869 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492722601 1066893736 /nfs/dbraw/zinc/89/37/36/1066893736.db2.gz IPTZRPUATKIROC-HNNXBMFYSA-N 0 0 486.045 4.606 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492722602 1066893961 /nfs/dbraw/zinc/89/39/61/1066893961.db2.gz IPTZRPUATKIROC-OAHLLOKOSA-N 0 0 486.045 4.606 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001492722968 1066894338 /nfs/dbraw/zinc/89/43/38/1066894338.db2.gz WISACHXOVQLPPP-OAHLLOKOSA-N 0 0 456.566 4.805 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N(C)C1CCCCC1 ZINC001492722884 1066894403 /nfs/dbraw/zinc/89/44/03/1066894403.db2.gz SZNDYXZTANXASM-UHFFFAOYSA-N 0 0 487.446 4.787 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC(C)C)C1CC1 ZINC001492723139 1066894476 /nfs/dbraw/zinc/89/44/76/1066894476.db2.gz CTHOJTZBMSAQAK-QFIPXVFZSA-N 0 0 485.677 4.764 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001448055308 1066894491 /nfs/dbraw/zinc/89/44/91/1066894491.db2.gz WSNYYZSQHGOXCJ-ZLNRFVROSA-N 0 0 452.595 4.623 20 0 JJADRN C[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671301 1066894835 /nfs/dbraw/zinc/89/48/35/1066894835.db2.gz ZUUKCTTWOUCGBJ-VIFPVBQESA-N 0 0 457.275 4.872 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001492723518 1066894904 /nfs/dbraw/zinc/89/49/04/1066894904.db2.gz QBJIGKBSVGZPAX-HXUWFJFHSA-N 0 0 495.741 4.720 20 0 JJADRN COc1ccc([C@@H](NC(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)c2ccccc2OC)cc1 ZINC001546002465 1066895240 /nfs/dbraw/zinc/89/52/40/1066895240.db2.gz LJOACQDATYRTRC-MTNXOHHFSA-N 0 0 454.567 4.555 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)Cc2ccoc2)n(C)n1 ZINC001492724956 1066895349 /nfs/dbraw/zinc/89/53/49/1066895349.db2.gz NLSGQKLXEBGDCL-UHFFFAOYSA-N 0 0 475.778 4.681 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)n(C)n1 ZINC001492724401 1066895488 /nfs/dbraw/zinc/89/54/88/1066895488.db2.gz CGTXJNBNBKSOMD-UHFFFAOYSA-N 0 0 462.451 4.731 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)NC[C@]1(C)CCCO1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001457673668 1066895468 /nfs/dbraw/zinc/89/54/68/1066895468.db2.gz DIZINXYLLTYQJN-VWLOTQADSA-N 0 0 454.954 4.528 20 0 JJADRN CN(C(=O)CCc1cc(Cl)ccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448067729 1066895615 /nfs/dbraw/zinc/89/56/15/1066895615.db2.gz XLWUOOUTMNIBDI-KRWDZBQOSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC(F)(F)F)CC2)n(C)n1 ZINC001492725062 1066895920 /nfs/dbraw/zinc/89/59/20/1066895920.db2.gz RBFIETQGYQGWHW-UHFFFAOYSA-N 0 0 452.912 4.858 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n(C)n1 ZINC001492725001 1066895971 /nfs/dbraw/zinc/89/59/71/1066895971.db2.gz OMSWQXGNFZNOSK-HSZRJFAPSA-N 0 0 477.440 4.984 20 0 JJADRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(NC(=O)c3ccc(Br)cc3)cc1)CO2 ZINC001457679498 1066895899 /nfs/dbraw/zinc/89/58/99/1066895899.db2.gz ZKDNPDLLEORJLV-HXUWFJFHSA-N 0 0 451.320 4.873 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC001457680438 1066895979 /nfs/dbraw/zinc/89/59/79/1066895979.db2.gz LFDDCLNVCZBQIP-OXJNMPFZSA-N 0 0 454.514 4.516 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001457684000 1066896562 /nfs/dbraw/zinc/89/65/62/1066896562.db2.gz USGQDQUGHKBSLF-SJORKVTESA-N 0 0 451.350 4.679 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n(C)n1 ZINC001492726879 1066896597 /nfs/dbraw/zinc/89/65/97/1066896597.db2.gz ZQDJVIYRDPNLCF-GOSISDBHSA-N 0 0 455.676 4.921 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC001457682900 1066896603 /nfs/dbraw/zinc/89/66/03/1066896603.db2.gz CETXROYOQXVGEP-OAHLLOKOSA-N 0 0 452.725 4.957 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCOc2ccccc2C)n(C)n1 ZINC001492727329 1066896969 /nfs/dbraw/zinc/89/69/69/1066896969.db2.gz OUVXZBIVEKMYRV-ISKFKSNPSA-N 0 0 480.657 4.501 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(C)C)CC2)c1 ZINC001457686207 1066897089 /nfs/dbraw/zinc/89/70/89/1066897089.db2.gz FZBKSKSLJYPTDE-UHFFFAOYSA-N 0 0 458.624 4.773 20 0 JJADRN CCc1[nH]nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1Br ZINC001457685669 1066897114 /nfs/dbraw/zinc/89/71/14/1066897114.db2.gz ZREVNOZIXPWJNF-UHFFFAOYSA-N 0 0 455.765 4.984 20 0 JJADRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC001448077636 1066897656 /nfs/dbraw/zinc/89/76/56/1066897656.db2.gz NXZWYGUKEFBEDG-UHFFFAOYSA-N 0 0 452.436 4.605 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC001457688146 1066897655 /nfs/dbraw/zinc/89/76/55/1066897655.db2.gz KTEXOOJDRFVCHT-GOSISDBHSA-N 0 0 450.951 4.601 20 0 JJADRN O=C(CSc1ccccc1C(=O)NOC1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC001448080072 1066898146 /nfs/dbraw/zinc/89/81/46/1066898146.db2.gz NVHAPPJRAIHQBL-UHFFFAOYSA-N 0 0 455.363 4.565 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492728379 1066898130 /nfs/dbraw/zinc/89/81/30/1066898130.db2.gz BTPUNEUEQPRXDM-FQEVSTJZSA-N 0 0 473.666 4.535 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(Oc2ccccc2)c1 ZINC001457691525 1066898153 /nfs/dbraw/zinc/89/81/53/1066898153.db2.gz PMWKYYCUMOYILI-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)c3cccc(Sc4cccc(Br)c4)n3)n[nH]2)o1 ZINC001457691483 1066898341 /nfs/dbraw/zinc/89/83/41/1066898341.db2.gz RQAHVQIIYQTKDL-UHFFFAOYSA-N 0 0 456.325 4.934 20 0 JJADRN O=C(COc1ccc(Oc2ccccc2)cc1)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001457692414 1066898461 /nfs/dbraw/zinc/89/84/61/1066898461.db2.gz MJXYBVHMERTUQT-GOSISDBHSA-N 0 0 459.464 4.844 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1 ZINC001448093255 1066898883 /nfs/dbraw/zinc/89/88/83/1066898883.db2.gz IYJDGFPRQNCTQA-UHFFFAOYSA-N 0 0 450.988 4.848 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001448091993 1066898912 /nfs/dbraw/zinc/89/89/12/1066898912.db2.gz GNAKQMDOCAHKKL-FNZWTVRRSA-N 0 0 455.599 4.788 20 0 JJADRN COc1ccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2Br)c2ccccc2OC)cc1 ZINC001546002669 1066898932 /nfs/dbraw/zinc/89/89/32/1066898932.db2.gz RVQLZOJGRYUKSU-FQEVSTJZSA-N 0 0 458.356 4.832 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)c(N)cc2F)c1 ZINC001448087961 1066898998 /nfs/dbraw/zinc/89/89/98/1066898998.db2.gz AXBIHGJIAIGACV-INIZCTEOSA-N 0 0 458.921 4.756 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccccc3Cl)C2)n1 ZINC001492729097 1066898869 /nfs/dbraw/zinc/89/88/69/1066898869.db2.gz UNTLDXZVALGROH-CYFREDJKSA-N 0 0 457.022 4.617 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2Oc2ccccc2)cc1 ZINC001457694231 1066898983 /nfs/dbraw/zinc/89/89/83/1066898983.db2.gz UYOGVHHLVFUFEV-UHFFFAOYSA-N 0 0 452.576 4.748 20 0 JJADRN COc1cccc2c1CC[C@@H]2NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457692747 1066899004 /nfs/dbraw/zinc/89/90/04/1066899004.db2.gz OPLZEGOPRKJTMA-NRFANRHFSA-N 0 0 456.951 4.567 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCCOC(F)F)C2)n1 ZINC001492729487 1066899305 /nfs/dbraw/zinc/89/93/05/1066899305.db2.gz DKCQVZCENSXITQ-IBGZPJMESA-N 0 0 464.948 4.883 20 0 JJADRN Cc1nc(C)n(-c2ccccc2NC(=O)COc2ccc3cc(Br)ccc3c2)n1 ZINC001457696972 1066899373 /nfs/dbraw/zinc/89/93/73/1066899373.db2.gz YAYKNXSAUXWWQK-UHFFFAOYSA-N 0 0 451.324 4.817 20 0 JJADRN CC1(C)CC(=O)c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)c(=O)[nH]c2C1 ZINC001448099640 1066899405 /nfs/dbraw/zinc/89/94/05/1066899405.db2.gz ULQKIOTVUXAMEJ-OAHLLOKOSA-N 0 0 458.942 4.796 20 0 JJADRN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(Cl)nc2ccccc21 ZINC001457696453 1066899470 /nfs/dbraw/zinc/89/94/70/1066899470.db2.gz XNJSFVVDQJKALC-LBPRGKRZSA-N 0 0 455.267 4.964 20 0 JJADRN Cc1nsc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)n1 ZINC001457697485 1066899515 /nfs/dbraw/zinc/89/95/15/1066899515.db2.gz SRNJYYARWYCJSD-UHFFFAOYSA-N 0 0 450.545 4.567 20 0 JJADRN Cc1cc(=O)[nH]cc1NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001457700636 1066899865 /nfs/dbraw/zinc/89/98/65/1066899865.db2.gz APTACTQPLUTJTB-ZDUSSCGKSA-N 0 0 452.561 4.733 20 0 JJADRN CC(=O)Nc1sc(NC(=O)Cc2ccccc2OCc2ccncc2)nc1-c1ccccc1 ZINC001448107925 1066900449 /nfs/dbraw/zinc/90/04/49/1066900449.db2.gz CKWVYOLTUSYZIB-UHFFFAOYSA-N 0 0 458.543 4.924 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cn(CC)c4ccc(Cl)cc4c3=O)n2)cc1 ZINC001457703975 1066900526 /nfs/dbraw/zinc/90/05/26/1066900526.db2.gz WEOWLWARJNFDNT-AWEZNQCLSA-N 0 0 450.926 4.778 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730227 1066900645 /nfs/dbraw/zinc/90/06/45/1066900645.db2.gz RITWGAKKTMZUQH-GJZUVCINSA-N 0 0 472.678 4.656 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2nc3c(ccc(F)c3C)s2)C1(C)C ZINC001457705887 1066900769 /nfs/dbraw/zinc/90/07/69/1066900769.db2.gz JIWCYCUJHKQFSD-IVZQSRNASA-N 0 0 451.564 4.781 20 0 JJADRN CC(=O)c1sc(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)nc1-c1ccccc1 ZINC001448109690 1066900750 /nfs/dbraw/zinc/90/07/50/1066900750.db2.gz IYLSMNKCFUNZQM-SFHVURJKSA-N 0 0 455.483 4.556 20 0 JJADRN CC(C)(C)OC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC001457708881 1066901240 /nfs/dbraw/zinc/90/12/40/1066901240.db2.gz UZBGXAXVZQVIMF-UHFFFAOYSA-N 0 0 450.988 4.561 20 0 JJADRN O=C(Oc1cc(F)ccc1Br)c1cc(Br)nc(Br)c1 ZINC001457707628 1066901388 /nfs/dbraw/zinc/90/13/88/1066901388.db2.gz WJPPFNNFCLIIDW-UHFFFAOYSA-N 0 0 453.887 4.727 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448115638 1066901403 /nfs/dbraw/zinc/90/14/03/1066901403.db2.gz FDKJOWKFRZPOML-YWZLYKJASA-N 0 0 450.526 4.731 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(F)c3)C2)n1 ZINC001492731118 1066901567 /nfs/dbraw/zinc/90/15/67/1066901567.db2.gz LQNWXYOEYOKCIA-IFMALSPDSA-N 0 0 454.594 4.738 20 0 JJADRN O=C(c1ccccc1I)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001457711022 1066901644 /nfs/dbraw/zinc/90/16/44/1066901644.db2.gz GBXPVHUYHCVSNX-CYBMUJFWSA-N 0 0 452.361 4.646 20 0 JJADRN COc1ccccc1C(F)(F)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001457709895 1066901787 /nfs/dbraw/zinc/90/17/87/1066901787.db2.gz GULDKPGTSFTMOW-UHFFFAOYSA-N 0 0 450.239 4.771 20 0 JJADRN C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2ccnc2)cc1 ZINC001457710997 1066902064 /nfs/dbraw/zinc/90/20/64/1066902064.db2.gz OHUJCRFSNPRFEU-BTYIYWSLSA-N 0 0 456.493 4.594 20 0 JJADRN C[C@@H](NC(=O)c1scc(Br)c1Br)c1ccc(-n2ccnc2)cc1 ZINC001457711054 1066902203 /nfs/dbraw/zinc/90/22/03/1066902203.db2.gz OUOKNTFAHZXHPM-SNVBAGLBSA-N 0 0 455.175 4.950 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccn(C2CCCC2)n1 ZINC001457713136 1066902391 /nfs/dbraw/zinc/90/23/91/1066902391.db2.gz WROIXEXLFHLPOF-QHCPKHFHSA-N 0 0 450.970 4.829 20 0 JJADRN COc1cc(C)ccc1CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001457712688 1066902422 /nfs/dbraw/zinc/90/24/22/1066902422.db2.gz PRNYISSUCGUCOB-UHFFFAOYSA-N 0 0 454.368 4.761 20 0 JJADRN CS(=O)(=O)Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1F ZINC001457713630 1066902448 /nfs/dbraw/zinc/90/24/48/1066902448.db2.gz YFAFYTTWXYODQK-UHFFFAOYSA-N 0 0 454.361 4.583 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3ccccc3OC(F)F)C2)n1 ZINC001492731385 1066902528 /nfs/dbraw/zinc/90/25/28/1066902528.db2.gz SDOXQQGRADDOMI-OAQYLSRUSA-N 0 0 472.584 4.976 20 0 JJADRN CN(CCC1CCOCC1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001457712673 1066902596 /nfs/dbraw/zinc/90/25/96/1066902596.db2.gz LEUWGQKGAGTKAG-UHFFFAOYSA-N 0 0 459.384 4.519 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCSC(C)C)C2)n1 ZINC001492731425 1066902535 /nfs/dbraw/zinc/90/25/35/1066902535.db2.gz SZOAVZRGPPQJHE-OAQYLSRUSA-N 0 0 474.078 4.714 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N2C[C@@H](C)S[C@@H](C)C2)nnc1C(C)(C)C ZINC001492731620 1066902780 /nfs/dbraw/zinc/90/27/80/1066902780.db2.gz VQECFUKVKBIQPC-HDICACEKSA-N 0 0 452.672 4.816 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1)C(F)(F)F ZINC001457714979 1066902942 /nfs/dbraw/zinc/90/29/42/1066902942.db2.gz CQSYHYDUTCWJSZ-KSFYIVLOSA-N 0 0 450.505 4.523 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3C)C2)n1 ZINC001492731833 1066903237 /nfs/dbraw/zinc/90/32/37/1066903237.db2.gz YAHCRBXYEYMIAA-QFIPXVFZSA-N 0 0 453.610 4.607 20 0 JJADRN C[C@@H](NC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O)c1ccc(Cl)c2ccccc21 ZINC001448132110 1066903527 /nfs/dbraw/zinc/90/35/27/1066903527.db2.gz PXXJJVZVFKYORV-AKJBCIBTSA-N 0 0 450.966 4.746 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@H]1C)Oc1cccc(F)c1 ZINC001546002972 1066903674 /nfs/dbraw/zinc/90/36/74/1066903674.db2.gz BBINHJUSAPUBIR-OXQOHEQNSA-N 0 0 473.618 4.634 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](CCO)C(C)C)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457717745 1066903935 /nfs/dbraw/zinc/90/39/35/1066903935.db2.gz CAIYZQXAIQGQIB-FQEVSTJZSA-N 0 0 452.624 4.794 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001457717433 1066903961 /nfs/dbraw/zinc/90/39/61/1066903961.db2.gz GXZMLBDWSICJSY-UHFFFAOYSA-N 0 0 456.336 4.732 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCc2cc(F)cc(F)c2)n1 ZINC001492732132 1066904178 /nfs/dbraw/zinc/90/41/78/1066904178.db2.gz JMXBIKWNCZLCAV-QGZVFWFLSA-N 0 0 456.566 4.920 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@@H]2CCC[C@H]2C)n1 ZINC001492732123 1066904238 /nfs/dbraw/zinc/90/42/38/1066904238.db2.gz JMPJGBHCSVVPIN-QVXAULOJSA-N 0 0 468.671 4.511 20 0 JJADRN Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2)n1 ZINC001457724025 1066904667 /nfs/dbraw/zinc/90/46/67/1066904667.db2.gz LHNMLQRRKHVZPA-GOSISDBHSA-N 0 0 453.564 4.774 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC001457722483 1066904751 /nfs/dbraw/zinc/90/47/51/1066904751.db2.gz VWDJDBYHVZNRAD-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457725521 1066905162 /nfs/dbraw/zinc/90/51/62/1066905162.db2.gz DSQLRFDAOHMHBM-YKSBVNFPSA-N 0 0 456.949 4.545 20 0 JJADRN COC(=O)c1cccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)c1 ZINC001457727712 1066905308 /nfs/dbraw/zinc/90/53/08/1066905308.db2.gz VYRYXSUOGUBNFF-OAQYLSRUSA-N 0 0 454.320 4.672 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](C)N(C)c2ccccc2)n1 ZINC001492732605 1066905559 /nfs/dbraw/zinc/90/55/59/1066905559.db2.gz SCHBOSUKDUKRNK-RTWAWAEBSA-N 0 0 463.655 4.924 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2Cc2ccc([C@H](C)O)cc2)n1 ZINC001492732625 1066905673 /nfs/dbraw/zinc/90/56/73/1066905673.db2.gz SFENQAVFOQTLPU-MOPGFXCFSA-N 0 0 450.612 4.500 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)cc1 ZINC001457730931 1066905738 /nfs/dbraw/zinc/90/57/38/1066905738.db2.gz KXKUPYNOORCKFM-QLXKLKPCSA-N 0 0 458.514 4.835 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCc1cccs1)NC(=O)OC(C)(C)C ZINC001546003190 1066906055 /nfs/dbraw/zinc/90/60/55/1066906055.db2.gz FHWTZZLRANJVFS-GOSISDBHSA-N 0 0 475.684 4.974 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)cc1 ZINC001457731150 1066906184 /nfs/dbraw/zinc/90/61/84/1066906184.db2.gz KXKUPYNOORCKFM-WGDIFIGCSA-N 0 0 458.514 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2Cc2ccccc2OCC(F)(F)F)n1 ZINC001492732922 1066906277 /nfs/dbraw/zinc/90/62/77/1066906277.db2.gz YBXANOZHXLXFIQ-GOSISDBHSA-N 0 0 488.514 4.920 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2Cc2nc(C)c(C)s2)n1 ZINC001492732993 1066906568 /nfs/dbraw/zinc/90/65/68/1066906568.db2.gz ZAUBYJSPIXOYGL-QGZVFWFLSA-N 0 0 453.591 4.598 20 0 JJADRN CCOC1CC2(C[C@@H]2C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC001448173269 1066906573 /nfs/dbraw/zinc/90/65/73/1066906573.db2.gz MKFZPLJNGVLBGU-ISXWCOSWSA-N 0 0 451.407 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)[C@@H](c2ccncc2)C1 ZINC001448171826 1066906690 /nfs/dbraw/zinc/90/66/90/1066906690.db2.gz ASXQOZQIMJLMGO-GOSISDBHSA-N 0 0 458.921 4.790 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001492733405 1066906903 /nfs/dbraw/zinc/90/69/03/1066906903.db2.gz JNQQEDPCIOISOE-AVRDEDQJSA-N 0 0 465.646 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2C[C@@H](C)Oc2cccc(F)c2)n1 ZINC001492733506 1066907033 /nfs/dbraw/zinc/90/70/33/1066907033.db2.gz LVPOFXFBOOMWFF-UCNVEGJOSA-N 0 0 454.594 4.761 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC001457737470 1066907324 /nfs/dbraw/zinc/90/73/24/1066907324.db2.gz UVBIBVYBBPUDIT-UHFFFAOYSA-N 0 0 451.350 4.979 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@H](C)Oc2ccccc2F)n1 ZINC001492733592 1066907450 /nfs/dbraw/zinc/90/74/50/1066907450.db2.gz OBSFFWCTOFLXDB-SGDIKTSBSA-N 0 0 454.594 4.761 20 0 JJADRN O=C(NCc1ccc(I)cc1Cl)c1ccc(N2CCCCC2)cc1 ZINC001448184156 1066907660 /nfs/dbraw/zinc/90/76/60/1066907660.db2.gz FMLAZALZAOELRB-UHFFFAOYSA-N 0 0 454.739 4.865 20 0 JJADRN O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC001457738007 1066907717 /nfs/dbraw/zinc/90/77/17/1066907717.db2.gz FJKISXLDHYOVOA-XMSQKQJNSA-N 0 0 458.530 4.959 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(I)cc3Cl)c2)cs1 ZINC001448184364 1066907700 /nfs/dbraw/zinc/90/77/00/1066907700.db2.gz HAENPCGPRSIKJX-UHFFFAOYSA-N 0 0 457.724 4.635 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3Cc4ccccc4C3)n2CCCSCC(C)C)n1 ZINC001492733917 1066907904 /nfs/dbraw/zinc/90/79/04/1066907904.db2.gz WOSNCYOWOCDSQH-UHFFFAOYSA-N 0 0 452.672 4.523 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC(C)(C)C(F)(F)F)Cc1cc(F)c(F)cc1F ZINC001448188854 1066908063 /nfs/dbraw/zinc/90/80/63/1066908063.db2.gz YOOJLZUMKMJKLF-GFCCVEGCSA-N 0 0 456.427 4.635 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC001546003373 1066908389 /nfs/dbraw/zinc/90/83/89/1066908389.db2.gz IJSYGSKKTCYJNC-HXUWFJFHSA-N 0 0 487.620 4.721 20 0 JJADRN CC(C)N(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001448191475 1066908469 /nfs/dbraw/zinc/90/84/69/1066908469.db2.gz QEOCUWPEYZMOFY-UHFFFAOYSA-N 0 0 458.400 4.785 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H](c2cccnc2)C(C)C)n1 ZINC001492735149 1066908631 /nfs/dbraw/zinc/90/86/31/1066908631.db2.gz LTSQCDITTKRDIP-DEOSSOPVSA-N 0 0 479.579 4.889 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003454 1066908866 /nfs/dbraw/zinc/90/88/66/1066908866.db2.gz JRPGXFNCIZOQIS-AEFFLSMTSA-N 0 0 476.691 4.810 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003449 1066908888 /nfs/dbraw/zinc/90/88/88/1066908888.db2.gz JQVFULAIOHMLGN-KNQAVFIVSA-N 0 0 496.656 4.515 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492735292 1066908884 /nfs/dbraw/zinc/90/88/84/1066908884.db2.gz QQMXMIZQAZQXLM-UHFFFAOYSA-N 0 0 485.608 4.857 20 0 JJADRN C[C@@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457743099 1066908986 /nfs/dbraw/zinc/90/89/86/1066908986.db2.gz RMMDVNNUHTXRPT-UZRURVBFSA-N 0 0 450.554 4.744 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nc4cccc(Cl)c4n3C)c2)cc1 ZINC001457744344 1066909433 /nfs/dbraw/zinc/90/94/33/1066909433.db2.gz GCJPIVXRFZILIP-UHFFFAOYSA-N 0 0 454.939 4.588 20 0 JJADRN C[C@@H](C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001448199943 1066909339 /nfs/dbraw/zinc/90/93/39/1066909339.db2.gz RTZZTULIPQBDTC-CVEARBPZSA-N 0 0 453.421 4.879 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC001448199971 1066909438 /nfs/dbraw/zinc/90/94/38/1066909438.db2.gz RTZZTULIPQBDTC-JKSUJKDBSA-N 0 0 453.421 4.879 20 0 JJADRN CN(Cc1cc(Cl)cn1C)C(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457747857 1066909747 /nfs/dbraw/zinc/90/97/47/1066909747.db2.gz IEEWLBRJWYKUCR-UHFFFAOYSA-N 0 0 452.982 4.964 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001546003549 1066909846 /nfs/dbraw/zinc/90/98/46/1066909846.db2.gz LFOYWDWMFMNDRK-CQSZACIVSA-N 0 0 499.500 4.855 20 0 JJADRN COC(=O)c1ccccc1CC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001457749741 1066910562 /nfs/dbraw/zinc/91/05/62/1066910562.db2.gz NXCZXLVZNXXODC-JOCHJYFZSA-N 0 0 456.311 4.823 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)s3)n2CCCC(F)(F)F)n1 ZINC001492736124 1066910588 /nfs/dbraw/zinc/91/05/88/1066910588.db2.gz VEZAJDJOOQILOW-UHFFFAOYSA-N 0 0 491.381 4.943 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC001448226489 1066910652 /nfs/dbraw/zinc/91/06/52/1066910652.db2.gz NQENQAAUTJKQPZ-NSHDSACASA-N 0 0 451.310 4.709 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2CC[C@H](F)C2)n1 ZINC001492736237 1066911041 /nfs/dbraw/zinc/91/10/41/1066911041.db2.gz YVMKOCORGVGWQC-ICSRJNTNSA-N 0 0 464.511 4.933 20 0 JJADRN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001448228544 1066911142 /nfs/dbraw/zinc/91/11/42/1066911142.db2.gz RACYOZTZRNNVSC-SANMLTNESA-N 0 0 454.570 4.666 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@H]1c1ccc(OC)cc1 ZINC001457752634 1066911474 /nfs/dbraw/zinc/91/14/74/1066911474.db2.gz BXAVEQJQJGPVAM-IEIRFRATSA-N 0 0 456.970 4.678 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001448230186 1066911582 /nfs/dbraw/zinc/91/15/82/1066911582.db2.gz ONSDZSPFYGRGPL-FSSWDIPSSA-N 0 0 454.542 4.758 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546003911 1066912123 /nfs/dbraw/zinc/91/21/23/1066912123.db2.gz SCXHULODGZSAAD-GGAORHGYSA-N 0 0 482.673 4.639 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csc(CC(C)C)n1 ZINC001448231858 1066912134 /nfs/dbraw/zinc/91/21/34/1066912134.db2.gz WOZNXQHOZPASJM-LJQANCHMSA-N 0 0 459.612 4.784 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)c2cc(Br)c(F)cc2N)c(OC)c1 ZINC001448233024 1066912185 /nfs/dbraw/zinc/91/21/85/1066912185.db2.gz FFHXYBLUSZLACY-UHFFFAOYSA-N 0 0 451.336 4.630 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492736989 1066912408 /nfs/dbraw/zinc/91/24/08/1066912408.db2.gz ASCMQKOGFCYXDO-CJNGLKHVSA-N 0 0 467.565 4.688 20 0 JJADRN Cc1ccc(Sc2nsc(NC(=O)[C@@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001457757098 1066912808 /nfs/dbraw/zinc/91/28/08/1066912808.db2.gz NDRHMBJDCRLUNV-ZFWWWQNUSA-N 0 0 452.577 4.531 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3cc(Br)c4ccccc4c3)C2)cc1C ZINC001448236525 1066913178 /nfs/dbraw/zinc/91/31/78/1066913178.db2.gz IGROACHTPJNUDI-SFHVURJKSA-N 0 0 453.336 4.842 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3cccc4cccc(Br)c43)C2)cc1F ZINC001448235376 1066913241 /nfs/dbraw/zinc/91/32/41/1066913241.db2.gz GOUUULRMVPFAHP-OAHLLOKOSA-N 0 0 457.299 4.673 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492739063 1066913659 /nfs/dbraw/zinc/91/36/59/1066913659.db2.gz TWRRREXYEKPNQA-GJZGRUSLSA-N 0 0 452.447 4.822 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC001448237761 1066913624 /nfs/dbraw/zinc/91/36/24/1066913624.db2.gz XCVZDWMXGUZLSK-XMMPIXPASA-N 0 0 450.579 4.502 20 0 JJADRN C[C@@H](CC(=O)Nc1ncc(C2(O)CCCCC2)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001457762065 1066913653 /nfs/dbraw/zinc/91/36/53/1066913653.db2.gz NZLRRAJYBNLRPN-DLBZAZTESA-N 0 0 451.633 4.907 20 0 JJADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001457764882 1066913905 /nfs/dbraw/zinc/91/39/05/1066913905.db2.gz OOVLAECGNUKYDK-YQQQUEKLSA-N 0 0 456.974 4.847 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3cnn(-c4ccccc4Cl)c3C(C)C)C2)cc1 ZINC001448241470 1066914162 /nfs/dbraw/zinc/91/41/62/1066914162.db2.gz BUXPCELNRQDZNH-GOSISDBHSA-N 0 0 452.942 4.581 20 0 JJADRN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cnn(C(C)(C)C)c1I ZINC001457767734 1066914467 /nfs/dbraw/zinc/91/44/67/1066914467.db2.gz UTQMVBWBTLUHPR-MRXNPFEDSA-N 0 0 453.368 4.726 20 0 JJADRN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 ZINC001457768324 1066914736 /nfs/dbraw/zinc/91/47/36/1066914736.db2.gz HJFZZAPIMYFHRW-ZDUSSCGKSA-N 0 0 452.511 4.774 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cnn3c2C[C@H](C)CC3)c1 ZINC001457768279 1066914790 /nfs/dbraw/zinc/91/47/90/1066914790.db2.gz ZLVBMYSCGRWPHJ-CYBMUJFWSA-N 0 0 456.955 4.704 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3c(F)cccc3F)C3CC3)n2CCSC(F)(F)F)n1 ZINC001492739977 1066914929 /nfs/dbraw/zinc/91/49/29/1066914929.db2.gz DKWRWMPNVOBRIF-UHFFFAOYSA-N 0 0 486.514 4.840 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001448245245 1066914865 /nfs/dbraw/zinc/91/48/65/1066914865.db2.gz KMRKHVBUATYAKX-NRFANRHFSA-N 0 0 454.567 4.929 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC001448245117 1066915015 /nfs/dbraw/zinc/91/50/15/1066915015.db2.gz JZWWIHJJKWCUKG-UHFFFAOYSA-N 0 0 453.336 4.705 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(-c4ccc(OC)cc4F)cc3F)C2)cc1 ZINC001448248427 1066915306 /nfs/dbraw/zinc/91/53/06/1066915306.db2.gz JRBHMOHAVHNPBJ-IBGZPJMESA-N 0 0 452.457 4.572 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)n1 ZINC001492740452 1066915388 /nfs/dbraw/zinc/91/53/88/1066915388.db2.gz WFFHKFCTIOMOPF-UHFFFAOYSA-N 0 0 489.624 4.904 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001546004060 1066915403 /nfs/dbraw/zinc/91/54/03/1066915403.db2.gz VOKJHCCRCRMXMO-HZPDHXFCSA-N 0 0 453.033 4.648 20 0 JJADRN O=C(c1ccc(Oc2ccc(Br)cc2)c(F)c1)N(CCCO)Cc1ccccn1 ZINC001448274520 1066915708 /nfs/dbraw/zinc/91/57/08/1066915708.db2.gz AOWPUAMVLOVLNQ-UHFFFAOYSA-N 0 0 459.315 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCN[C@@H](c4ccccc4Cl)C3)ccc21 ZINC001448279164 1066915743 /nfs/dbraw/zinc/91/57/43/1066915743.db2.gz JROKUOVMFZINKE-OAQYLSRUSA-N 0 0 455.986 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2c(F)cccc2F)n1 ZINC001492740784 1066915796 /nfs/dbraw/zinc/91/57/96/1066915796.db2.gz HWHCLVUXSFDOMA-UHFFFAOYSA-N 0 0 482.501 4.829 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC3CC3)C3CCCCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC001492740690 1066915895 /nfs/dbraw/zinc/91/58/95/1066915895.db2.gz DXFKOGYKSZXTHB-NRFANRHFSA-N 0 0 499.704 4.944 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001448289297 1066916245 /nfs/dbraw/zinc/91/62/45/1066916245.db2.gz AGTOCMCEIQLJSO-RUZDIDTESA-N 0 0 454.571 4.601 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2CC[C@@](C)(O)c2ccccc2)n1 ZINC001492740811 1066916165 /nfs/dbraw/zinc/91/61/65/1066916165.db2.gz JBFSMKQXAASFOK-AREMUKBSSA-N 0 0 478.666 4.914 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCC(F)(F)C2)n1 ZINC001492740868 1066916209 /nfs/dbraw/zinc/91/62/09/1066916209.db2.gz LLBZRNDYUTWNEF-KRWDZBQOSA-N 0 0 460.495 4.744 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)cc3nc[nH]c32)[C@@H](c2cccc(Cl)c2)C1 ZINC001448296693 1066916765 /nfs/dbraw/zinc/91/67/65/1066916765.db2.gz OYEGEHKPCAFUHP-LJQANCHMSA-N 0 0 458.921 4.790 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1cccc(Br)c1 ZINC001457775642 1066917070 /nfs/dbraw/zinc/91/70/70/1066917070.db2.gz UPEANLYBGWDOSX-KRWDZBQOSA-N 0 0 459.167 4.589 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1coc(-c2cccs2)n1 ZINC001457775783 1066917076 /nfs/dbraw/zinc/91/70/76/1066917076.db2.gz VERAAMXURLNPJA-MRXNPFEDSA-N 0 0 453.347 4.543 20 0 JJADRN O=C(CN1c2ccccc2Sc2ccccc21)NC[C@H](O)c1cccc(Br)c1 ZINC001448327609 1066917140 /nfs/dbraw/zinc/91/71/40/1066917140.db2.gz APBIWFCKOKGPEN-IBGZPJMESA-N 0 0 455.377 4.902 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492741551 1066917129 /nfs/dbraw/zinc/91/71/29/1066917129.db2.gz BVWWEUUYVYTOPV-PMACEKPBSA-N 0 0 477.657 4.655 20 0 JJADRN C[S@@](=O)c1cccc(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1 ZINC001457775772 1066917106 /nfs/dbraw/zinc/91/71/06/1066917106.db2.gz GMRRPRHVFAPTSH-WJOKGBTCSA-N 0 0 456.486 4.720 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2ccc(C(C)(F)F)cc2)n1 ZINC001492741610 1066917440 /nfs/dbraw/zinc/91/74/40/1066917440.db2.gz DCIXICOTMXOJFM-QZTJIDSGSA-N 0 0 460.598 4.630 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC(C)(C)c2ccccc2F)n1 ZINC001492741712 1066917479 /nfs/dbraw/zinc/91/74/79/1066917479.db2.gz FYFBMPKOWKNYNK-OALUTQOASA-N 0 0 456.635 4.587 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](O)c3cccc(Br)c3)cc2)cc1 ZINC001448333318 1066917552 /nfs/dbraw/zinc/91/75/52/1066917552.db2.gz IELSYRQBGSRDAZ-QFIPXVFZSA-N 0 0 454.320 4.907 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC001457778613 1066917845 /nfs/dbraw/zinc/91/78/45/1066917845.db2.gz YWNNYOCYTHCDLT-NSHDSACASA-N 0 0 452.761 4.983 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492743084 1066918471 /nfs/dbraw/zinc/91/84/71/1066918471.db2.gz VNAXQTBXPLEKAM-XMSQKQJNSA-N 0 0 450.631 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001492743253 1066918740 /nfs/dbraw/zinc/91/87/40/1066918740.db2.gz NVTDHWILOGTBFJ-UHFFFAOYSA-N 0 0 472.559 4.982 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cnn(CCC(C)C)c1CC ZINC001457782169 1066918866 /nfs/dbraw/zinc/91/88/66/1066918866.db2.gz KEJGDBWCYBTLDQ-LJQANCHMSA-N 0 0 454.398 4.703 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](C)Oc2ccccc2F)n1 ZINC001492743173 1066918793 /nfs/dbraw/zinc/91/87/93/1066918793.db2.gz NFLFJOGONCLVJZ-VQTJNVASSA-N 0 0 454.594 4.619 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)ccc1C ZINC001448356157 1066919154 /nfs/dbraw/zinc/91/91/54/1066919154.db2.gz PEUFCOYXOVRHBW-JOCHJYFZSA-N 0 0 455.530 4.527 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2csc(C(C)(C)C)n2)n1 ZINC001492743873 1066919372 /nfs/dbraw/zinc/91/93/72/1066919372.db2.gz ALCSBUNPTVKDPL-UHFFFAOYSA-N 0 0 495.619 4.915 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccccc1OCC(F)F ZINC001457784277 1066919251 /nfs/dbraw/zinc/91/92/51/1066919251.db2.gz QYRQEWNVBLWREK-LJQANCHMSA-N 0 0 459.493 4.886 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC001448357801 1066919419 /nfs/dbraw/zinc/91/94/19/1066919419.db2.gz QWHOMHKTZYMGEA-NRFANRHFSA-N 0 0 450.539 4.666 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2Cc2c(F)cc(F)c(F)c2F)n1 ZINC001492744247 1066919787 /nfs/dbraw/zinc/91/97/87/1066919787.db2.gz KHDQYYDLCDQMMU-UHFFFAOYSA-N 0 0 464.511 4.617 20 0 JJADRN O=C(Cc1cccc(C(F)(F)F)n1)Nc1cc(O)c(Br)cc1Br ZINC001457788097 1066920250 /nfs/dbraw/zinc/92/02/50/1066920250.db2.gz QEWJHAIKYLPSNF-UHFFFAOYSA-N 0 0 454.040 4.512 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCSCc2ccccc2F)n1 ZINC001492745159 1066920509 /nfs/dbraw/zinc/92/05/09/1066920509.db2.gz IESIUAVLGHVGCY-MSOLQXFVSA-N 0 0 456.635 4.695 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492744621 1066920571 /nfs/dbraw/zinc/92/05/71/1066920571.db2.gz UMZWENRFFZIIMM-UXHICEINSA-N 0 0 464.658 4.985 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N(C)c1ccc(OC)cc1OC)NC(=O)OC(C)(C)C ZINC001546005252 1066920653 /nfs/dbraw/zinc/92/06/53/1066920653.db2.gz YDOVQMVHTRJMMU-LJQANCHMSA-N 0 0 458.555 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](c4ccccc4)[C@H]3C)n2CC(F)(F)Br)n1 ZINC001492745319 1066921005 /nfs/dbraw/zinc/92/10/05/1066921005.db2.gz LEEQPAGONWBLJQ-AEFFLSMTSA-N 0 0 479.373 4.510 20 0 JJADRN COCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1Cl ZINC001448380780 1066921275 /nfs/dbraw/zinc/92/12/75/1066921275.db2.gz BWJGYCODTWVNEN-VZWFDDOASA-N 0 0 450.966 4.892 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)C1 ZINC001448383374 1066921584 /nfs/dbraw/zinc/92/15/84/1066921584.db2.gz CCZDBMHXIOJETN-CYFREDJKSA-N 0 0 451.007 4.683 20 0 JJADRN O=C(CCc1ccc2[nH]ccc2c1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448382653 1066921600 /nfs/dbraw/zinc/92/16/00/1066921600.db2.gz AXHZELUVNJTWIS-GOSISDBHSA-N 0 0 455.274 4.732 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001448383476 1066921700 /nfs/dbraw/zinc/92/17/00/1066921700.db2.gz GKLIMAHGXCTDCX-QAQDUYKDSA-N 0 0 455.407 4.698 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)C1 ZINC001448383401 1066921714 /nfs/dbraw/zinc/92/17/14/1066921714.db2.gz CCZDBMHXIOJETN-YADARESESA-N 0 0 451.007 4.683 20 0 JJADRN Cc1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)nn1-c1cccc(C(F)(F)F)c1 ZINC001457793598 1066922250 /nfs/dbraw/zinc/92/22/50/1066922250.db2.gz IVIKEWYGAMCGSE-UHFFFAOYSA-N 0 0 459.255 4.710 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CCCOC(F)(F)F)n1 ZINC001492747050 1066922225 /nfs/dbraw/zinc/92/22/25/1066922225.db2.gz NKMFPPGIJTVSCB-UHFFFAOYSA-N 0 0 498.594 4.630 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2Cl)c1 ZINC001448393176 1066922421 /nfs/dbraw/zinc/92/24/21/1066922421.db2.gz DKXGYGOQQWLBIJ-UHFFFAOYSA-N 0 0 459.793 4.742 20 0 JJADRN COCc1nc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c(-c2ccccc2)s1 ZINC001457794720 1066922639 /nfs/dbraw/zinc/92/26/39/1066922639.db2.gz ZJCCPNUNGYQLDU-UHFFFAOYSA-N 0 0 459.453 4.808 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC001457795579 1066922728 /nfs/dbraw/zinc/92/27/28/1066922728.db2.gz QRFXGJXJVIUEPM-NWANDNLSSA-N 0 0 453.402 4.642 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H]2CCC(C)C)c1 ZINC001457796173 1066922740 /nfs/dbraw/zinc/92/27/40/1066922740.db2.gz DPLYQIZXFVINPJ-INIZCTEOSA-N 0 0 459.450 4.520 20 0 JJADRN O=C(CCc1cccc(Cl)c1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448401719 1066923118 /nfs/dbraw/zinc/92/31/18/1066923118.db2.gz YFHNNRORZYHGCR-MRXNPFEDSA-N 0 0 450.682 4.904 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)CC3)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492748708 1066923392 /nfs/dbraw/zinc/92/33/92/1066923392.db2.gz MBABURYPILUPSW-QGZVFWFLSA-N 0 0 490.578 4.682 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)CC3)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492748883 1066923411 /nfs/dbraw/zinc/92/34/11/1066923411.db2.gz QCFOVSBXQBMWAK-SFHVURJKSA-N 0 0 490.574 4.893 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC(C)(C)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)n1 ZINC001492748784 1066923417 /nfs/dbraw/zinc/92/34/17/1066923417.db2.gz OGTNGDDUGCYLMP-UHFFFAOYSA-N 0 0 477.657 4.799 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)n1 ZINC001492748853 1066923439 /nfs/dbraw/zinc/92/34/39/1066923439.db2.gz PNJIBSGULFWREP-VXKWHMMOSA-N 0 0 499.704 4.706 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2Cc2ccccc2OCC(F)(F)F)n1 ZINC001492748802 1066923463 /nfs/dbraw/zinc/92/34/63/1066923463.db2.gz OSSIYBPRZKQUIY-GOSISDBHSA-N 0 0 498.500 4.611 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)n1 ZINC001492748851 1066923516 /nfs/dbraw/zinc/92/35/16/1066923516.db2.gz PNJIBSGULFWREP-FCHUYYIVSA-N 0 0 499.704 4.706 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)OC ZINC001546005567 1066923776 /nfs/dbraw/zinc/92/37/76/1066923776.db2.gz FGIKFOVPQFPTPL-HBMCJLEFSA-N 0 0 463.667 4.565 20 0 JJADRN CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001457801319 1066923788 /nfs/dbraw/zinc/92/37/88/1066923788.db2.gz XTDIBNOUZDLNDT-ZDUSSCGKSA-N 0 0 452.418 4.707 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](C)C2)n1 ZINC001492749129 1066923902 /nfs/dbraw/zinc/92/39/02/1066923902.db2.gz USKPEEFLVVOKBH-MSYGRNIXSA-N 0 0 499.704 4.706 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448404302 1066924085 /nfs/dbraw/zinc/92/40/85/1066924085.db2.gz DCBQKKJOXVRDAO-NRFANRHFSA-N 0 0 451.976 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448404309 1066924172 /nfs/dbraw/zinc/92/41/72/1066924172.db2.gz DCBQKKJOXVRDAO-OAQYLSRUSA-N 0 0 451.976 4.554 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@@H](C)S1(=O)=O ZINC001457804028 1066924183 /nfs/dbraw/zinc/92/41/83/1066924183.db2.gz HQPJKXNSGJRMOZ-RHSMWYFYSA-N 0 0 454.564 4.783 20 0 JJADRN C[C@@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(N)=O)c1cccc(Cl)c1 ZINC001457805008 1066924537 /nfs/dbraw/zinc/92/45/37/1066924537.db2.gz OJWGAMIWKUJKLL-IBGZPJMESA-N 0 0 453.873 4.613 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001492749880 1066925013 /nfs/dbraw/zinc/92/50/13/1066925013.db2.gz LGEBCMMUKVUGTJ-KXBFYZLASA-N 0 0 461.383 4.602 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546005673 1066924998 /nfs/dbraw/zinc/92/49/98/1066924998.db2.gz GZRABRKJNVHMAW-JENIJYKNSA-N 0 0 451.681 4.644 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@@H]1CCCN1c1ncccn1 ZINC001448409228 1066925010 /nfs/dbraw/zinc/92/50/10/1066925010.db2.gz XMNUQQJJVZDXHF-SFHVURJKSA-N 0 0 457.303 4.778 20 0 JJADRN C[C@H](Sc1nncn1C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001448409293 1066925070 /nfs/dbraw/zinc/92/50/70/1066925070.db2.gz XTKDVOXZTYGIKZ-NSHDSACASA-N 0 0 451.321 4.628 20 0 JJADRN CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C ZINC001546005800 1066925421 /nfs/dbraw/zinc/92/54/21/1066925421.db2.gz JNMMZSMNRCYWDJ-OAQYLSRUSA-N 0 0 471.646 4.756 20 0 JJADRN Cc1cc(CNC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)cc(NC(=O)OC(C)(C)C)c1 ZINC001457808505 1066925416 /nfs/dbraw/zinc/92/54/16/1066925416.db2.gz YVYXQRMZNAWCNZ-OAQYLSRUSA-N 0 0 455.452 4.514 20 0 JJADRN Cc1c(C(=O)Nc2cccc(N3C(=S)N=NC3C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457809120 1066925463 /nfs/dbraw/zinc/92/54/63/1066925463.db2.gz WARZSXDAZNBBIZ-UHFFFAOYSA-N 0 0 458.469 4.630 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccc(F)cc2)n1 ZINC001492750376 1066925425 /nfs/dbraw/zinc/92/54/25/1066925425.db2.gz WRJWUCNCGMKOBH-NFBKMPQASA-N 0 0 484.620 4.530 20 0 JJADRN COc1cc(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c(C)c1OC ZINC001448416019 1066925587 /nfs/dbraw/zinc/92/55/87/1066925587.db2.gz NPVGUDCPNOUUCP-DOTOQJQBSA-N 0 0 450.576 4.633 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@H](C)Oc2ccc(F)cc2)n1 ZINC001492750379 1066925475 /nfs/dbraw/zinc/92/54/75/1066925475.db2.gz WRJWUCNCGMKOBH-REWPJTCUSA-N 0 0 484.620 4.530 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC(C)(C)C2CC2)n1 ZINC001492750274 1066925512 /nfs/dbraw/zinc/92/55/12/1066925512.db2.gz UIZHWSHEUPPSKM-OAQYLSRUSA-N 0 0 499.704 4.707 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)Oc1ccccc1F ZINC001546005935 1066925784 /nfs/dbraw/zinc/92/57/84/1066925784.db2.gz MBTJHNSJQGZLBO-VXKWHMMOSA-N 0 0 485.648 4.749 20 0 JJADRN Cc1ccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c(OC[C@@H]2CCCO2)c1 ZINC001457809778 1066925920 /nfs/dbraw/zinc/92/59/20/1066925920.db2.gz IWMXUXUBOGOLRL-QFIPXVFZSA-N 0 0 454.567 4.759 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cnc(-c2ccccc2Br)s1)c1ccccc1 ZINC001457813417 1066926207 /nfs/dbraw/zinc/92/62/07/1066926207.db2.gz CUKJGAXFGGXOCM-KRWDZBQOSA-N 0 0 459.365 4.997 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001448426828 1066926296 /nfs/dbraw/zinc/92/62/96/1066926296.db2.gz HBHDQPDKNRJNBB-UHFFFAOYSA-N 0 0 451.405 4.850 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001546005976 1066926358 /nfs/dbraw/zinc/92/63/58/1066926358.db2.gz MTNVLHPLIOIECL-OAQYLSRUSA-N 0 0 471.646 4.959 20 0 JJADRN COc1cc(OC)cc(OCCCNC(=O)C(C)(C)c2ccc(Br)c(C)c2)c1 ZINC001457813625 1066926687 /nfs/dbraw/zinc/92/66/87/1066926687.db2.gz BPANBLWLVAORQE-UHFFFAOYSA-N 0 0 450.373 4.638 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457813492 1066926697 /nfs/dbraw/zinc/92/66/97/1066926697.db2.gz FOSNYMIZZAMTLQ-UTKZUKDTSA-N 0 0 459.384 4.688 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C)cc3OCCCC(C)C)CC(=O)N2C)cc1 ZINC001457814438 1066926802 /nfs/dbraw/zinc/92/68/02/1066926802.db2.gz QACBKDMITGHCOQ-BVAGGSTKSA-N 0 0 452.595 4.654 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001448432302 1066926659 /nfs/dbraw/zinc/92/66/59/1066926659.db2.gz DPEXMEWUUUSORR-LVXARBLLSA-N 0 0 459.606 4.653 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448432959 1066926685 /nfs/dbraw/zinc/92/66/85/1066926685.db2.gz SFAPYXOCGVNHGN-MEBBXXQBSA-N 0 0 455.782 4.995 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccccc2OC(C)C)n1 ZINC001492753618 1066926847 /nfs/dbraw/zinc/92/68/47/1066926847.db2.gz DFGALQDWNMNNOV-MHZLTWQESA-N 0 0 480.657 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2F)C[C@H]1[C@H]1CCCO1 ZINC001448434414 1066926845 /nfs/dbraw/zinc/92/68/45/1066926845.db2.gz HUSWYUPEJNEYRX-DOPJRALCSA-N 0 0 458.477 4.560 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NN3CCC(C(C)(C)C)CC3)ccc21 ZINC001457815654 1066927024 /nfs/dbraw/zinc/92/70/24/1066927024.db2.gz BRHQASQTGREOMR-UHFFFAOYSA-N 0 0 456.631 4.959 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nc(C(F)(F)F)c[nH]2)CC1 ZINC001457816760 1066927136 /nfs/dbraw/zinc/92/71/36/1066927136.db2.gz DTHAADMQSUJGSC-KZNAEPCWSA-N 0 0 450.505 4.557 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2CCCCOC(C)C)n1 ZINC001492755152 1066927166 /nfs/dbraw/zinc/92/71/66/1066927166.db2.gz QXSIHPOOVRBQGP-HSZRJFAPSA-N 0 0 487.048 4.576 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001448437393 1066927305 /nfs/dbraw/zinc/92/73/05/1066927305.db2.gz XEAWPUYSLMLRCS-UHFFFAOYSA-N 0 0 453.174 4.866 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCc2c(C)cccc2C)n1 ZINC001492755981 1066927541 /nfs/dbraw/zinc/92/75/41/1066927541.db2.gz OGCJPBPOZRMFFW-HSZRJFAPSA-N 0 0 452.672 4.577 20 0 JJADRN Cc1c(NC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)nnn1CCOc1ccc(F)cc1 ZINC001448442023 1066927699 /nfs/dbraw/zinc/92/76/99/1066927699.db2.gz CUZKZNVMKKDHNA-LDADJPATSA-N 0 0 452.383 4.773 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)cc2)n1 ZINC001448439150 1066927718 /nfs/dbraw/zinc/92/77/18/1066927718.db2.gz PLMKNIPUQWWAKM-UQBPGWFLSA-N 0 0 454.571 4.902 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492757346 1066928859 /nfs/dbraw/zinc/92/88/59/1066928859.db2.gz WYVIPQSFZQRYGH-YLJYHZDGSA-N 0 0 491.562 4.722 20 0 JJADRN Cc1c(NC(=O)CCOc2ccc(F)cc2Cl)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001448450300 1066928839 /nfs/dbraw/zinc/92/88/39/1066928839.db2.gz HQDLQFLIAVGIEC-UHFFFAOYSA-N 0 0 456.827 4.854 20 0 JJADRN COC[C@H](CNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001457825717 1066929027 /nfs/dbraw/zinc/92/90/27/1066929027.db2.gz VUKCNRLLXMYNEM-PBHICJAKSA-N 0 0 452.776 4.858 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)CC2)n1 ZINC001492757589 1066929330 /nfs/dbraw/zinc/92/93/30/1066929330.db2.gz HYHJYAVKNKTDEI-UHFFFAOYSA-N 0 0 455.676 4.622 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)C)n3CCSCc3ccccc3F)C2)n1 ZINC001492757633 1066929368 /nfs/dbraw/zinc/92/93/68/1066929368.db2.gz JBYVRBIKDYXOFM-NRFANRHFSA-N 0 0 485.677 4.674 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546006151 1066929404 /nfs/dbraw/zinc/92/94/04/1066929404.db2.gz QANMWXVOYGDSBQ-VXKWHMMOSA-N 0 0 475.678 4.567 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001457827507 1066929324 /nfs/dbraw/zinc/92/93/24/1066929324.db2.gz BYNLWZPGKAWVKL-UHFFFAOYSA-N 0 0 450.436 4.600 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001448451640 1066929467 /nfs/dbraw/zinc/92/94/67/1066929467.db2.gz FYOFWRCNZXPLSB-OAHLLOKOSA-N 0 0 457.638 4.936 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccccc2Br)C[C@H]1c1ccccc1 ZINC001448454256 1066929512 /nfs/dbraw/zinc/92/95/12/1066929512.db2.gz UJARTFJDNMIZAJ-AZUAARDMSA-N 0 0 459.384 4.511 20 0 JJADRN CCN(C(=O)CCc1c(C)nc2ncnn2c1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001457830425 1066929744 /nfs/dbraw/zinc/92/97/44/1066929744.db2.gz ZLTROVGHJYOHCI-LJQANCHMSA-N 0 0 457.578 4.959 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OC(C)C)cc3)C2)n1 ZINC001492758086 1066929877 /nfs/dbraw/zinc/92/98/77/1066929877.db2.gz UXVSTBOOZVHDJU-QHCPKHFHSA-N 0 0 479.673 4.827 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC001492758315 1066930039 /nfs/dbraw/zinc/93/00/39/1066930039.db2.gz ZMXFIEXWNQPZRP-JOCHJYFZSA-N 0 0 499.704 4.705 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(F)F)C2)n1 ZINC001492757768 1066930086 /nfs/dbraw/zinc/93/00/86/1066930086.db2.gz MJRDWXXJECMXIL-IBGZPJMESA-N 0 0 477.991 4.693 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCSC(F)(F)F)C2)n1 ZINC001492758314 1066930141 /nfs/dbraw/zinc/93/01/41/1066930141.db2.gz ZMNXXGWUDVLTHE-MRXNPFEDSA-N 0 0 499.994 4.976 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3nc(C(C)(C)C)cs3)C2)n1 ZINC001492758280 1066930166 /nfs/dbraw/zinc/93/01/66/1066930166.db2.gz ZBOQVJYPCZUTER-IBGZPJMESA-N 0 0 484.718 4.794 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NCC[C@@H](C)CCO)c3sc(N4CCCCC4)nc3n2)cc1 ZINC001457833025 1066930187 /nfs/dbraw/zinc/93/01/87/1066930187.db2.gz KHDKZSDOPOPVRN-GOSISDBHSA-N 0 0 452.624 4.795 20 0 JJADRN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001448463732 1066930237 /nfs/dbraw/zinc/93/02/37/1066930237.db2.gz XTBCYBYROHZIJM-OAQYLSRUSA-N 0 0 453.420 4.997 20 0 JJADRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001448461941 1066930246 /nfs/dbraw/zinc/93/02/46/1066930246.db2.gz UNUCAQTVRLZMLP-NRFANRHFSA-N 0 0 454.640 4.549 20 0 JJADRN CCOC(=O)[C@@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccccc1 ZINC001448461441 1066930381 /nfs/dbraw/zinc/93/03/81/1066930381.db2.gz WBXIAYORMDBAQH-LJQANCHMSA-N 0 0 453.432 4.719 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C2)n1 ZINC001492757808 1066930517 /nfs/dbraw/zinc/93/05/17/1066930517.db2.gz NQKQQHAQVDYZBZ-KRWDZBQOSA-N 0 0 463.964 4.769 20 0 JJADRN O=C(O[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001457834026 1066930619 /nfs/dbraw/zinc/93/06/19/1066930619.db2.gz FRLGCVHEMZAOGC-YJBOKZPZSA-N 0 0 457.395 4.987 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cncc(-c2ccccc2)c1 ZINC001457833542 1066930658 /nfs/dbraw/zinc/93/06/58/1066930658.db2.gz NHXGYBFHPWHLNA-UHFFFAOYSA-N 0 0 450.380 4.906 20 0 JJADRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457834550 1066930684 /nfs/dbraw/zinc/93/06/84/1066930684.db2.gz QKFSKNLXPSBDLZ-YHYVQYDKSA-N 0 0 451.449 4.904 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccccc4F)n3CCSC(F)(F)F)CC2)n1 ZINC001492758535 1066930853 /nfs/dbraw/zinc/93/08/53/1066930853.db2.gz GZYFNVDIWIPOSE-UHFFFAOYSA-N 0 0 496.578 4.991 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC=CCC1 ZINC001457834698 1066930956 /nfs/dbraw/zinc/93/09/56/1066930956.db2.gz RUYFWWABTBXEMJ-SANMLTNESA-N 0 0 452.526 4.762 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1sccc1Br ZINC001457837060 1066930990 /nfs/dbraw/zinc/93/09/90/1066930990.db2.gz ZOSIDMXEGFGNDV-UHFFFAOYSA-N 0 0 458.219 4.668 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006544 1066931207 /nfs/dbraw/zinc/93/12/07/1066931207.db2.gz XHINCZDQHIKRTK-GOTSBHOMSA-N 0 0 483.657 4.892 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1 ZINC001448481089 1066931217 /nfs/dbraw/zinc/93/12/17/1066931217.db2.gz HPHOPRCMONCDCA-UHFFFAOYSA-N 0 0 452.536 4.784 20 0 JJADRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CSC[C@H]2c2ccccc2)CC1 ZINC001448481383 1066931481 /nfs/dbraw/zinc/93/14/81/1066931481.db2.gz AUYIZHMKVWMLKJ-VQTJNVASSA-N 0 0 463.525 4.528 20 0 JJADRN CCCc1c(C(=O)NCCc2c[nH]c3ccc(F)cc23)cnn1-c1cc(F)c(OC)cc1F ZINC001448484354 1066931519 /nfs/dbraw/zinc/93/15/19/1066931519.db2.gz YQPFSWQJQHOSCU-UHFFFAOYSA-N 0 0 456.468 4.705 20 0 JJADRN O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC001448484920 1066931601 /nfs/dbraw/zinc/93/16/01/1066931601.db2.gz DMHKUNVITWTWAV-UHFFFAOYSA-N 0 0 453.873 4.567 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC4CCCC4)n3CC(F)(F)Br)CC2)n1 ZINC001492758957 1066931533 /nfs/dbraw/zinc/93/15/33/1066931533.db2.gz QYHYKZYJMRYUEH-UHFFFAOYSA-N 0 0 485.421 4.728 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)c1 ZINC001546006822 1066931861 /nfs/dbraw/zinc/93/18/61/1066931861.db2.gz BTAIMSBRWKIIKJ-URXFXBBRSA-N 0 0 451.611 4.854 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccc(F)cc4)n3CCCC(C)(C)C)CCO2)n1 ZINC001492759763 1066931988 /nfs/dbraw/zinc/93/19/88/1066931988.db2.gz MDHGCVLSXXMQEH-QHCPKHFHSA-N 0 0 484.620 4.541 20 0 JJADRN O=Cc1cn(CC(=O)Nc2nc(Cc3ccccc3Br)cs2)c2ccccc12 ZINC001546094679 1066931975 /nfs/dbraw/zinc/93/19/75/1066931975.db2.gz UXFKCGGTRLWYSD-UHFFFAOYSA-N 0 0 454.349 4.902 20 0 JJADRN C[C@H](CC(=O)Nc1nc(Cc2ccccc2Br)cs1)NC(=O)C1CCCC1 ZINC001546094662 1066932002 /nfs/dbraw/zinc/93/20/02/1066932002.db2.gz UKBNWVXUQGUANH-CYBMUJFWSA-N 0 0 450.402 4.520 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC001448488404 1066932197 /nfs/dbraw/zinc/93/21/97/1066932197.db2.gz UQKQUOJKAQLILY-SFHVURJKSA-N 0 0 453.461 4.874 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 ZINC001492760427 1066932325 /nfs/dbraw/zinc/93/23/25/1066932325.db2.gz FESSLJLLDPXVKN-HSZRJFAPSA-N 0 0 491.684 4.534 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448489163 1066932404 /nfs/dbraw/zinc/93/24/04/1066932404.db2.gz NSXNAELRBHQGCG-UXPWSPDFSA-N 0 0 455.521 4.755 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C)[C@H]2C)n1 ZINC001492760585 1066932618 /nfs/dbraw/zinc/93/26/18/1066932618.db2.gz KLCLWVYKGQIEJB-CRAIPNDOSA-N 0 0 457.420 4.846 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)n1 ZINC001492760442 1066932666 /nfs/dbraw/zinc/93/26/66/1066932666.db2.gz FWTLFNAIXUBTEG-SFHVURJKSA-N 0 0 487.446 4.615 20 0 JJADRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1(C)C ZINC001448490487 1066932629 /nfs/dbraw/zinc/93/26/29/1066932629.db2.gz YFSSHWUBWWIAER-JLFWUPFSSA-N 0 0 452.595 4.910 20 0 JJADRN COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC001448496190 1066933115 /nfs/dbraw/zinc/93/31/15/1066933115.db2.gz OXPCFHCFMBPHBP-QNSIRVSESA-N 0 0 459.489 4.769 20 0 JJADRN COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC001448496186 1066933230 /nfs/dbraw/zinc/93/32/30/1066933230.db2.gz OXPCFHCFMBPHBP-KSGDDLFDSA-N 0 0 459.489 4.769 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCc2ccccc2OC(F)(F)F)cc1)OCC(F)(F)F ZINC001457860681 1066933240 /nfs/dbraw/zinc/93/32/40/1066933240.db2.gz HVYAOJHIIFZRTD-UHFFFAOYSA-N 0 0 450.335 4.669 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC001492760728 1066933550 /nfs/dbraw/zinc/93/35/50/1066933550.db2.gz PAYMQDSGGCQKCP-JOCHJYFZSA-N 0 0 493.656 4.603 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC[C@H]1c1ccc(C)o1 ZINC001457868123 1066933534 /nfs/dbraw/zinc/93/35/34/1066933534.db2.gz QMWGDPREEHDNMO-DLBZAZTESA-N 0 0 454.445 4.508 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC[C@H](CO)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)s1 ZINC001457869392 1066933770 /nfs/dbraw/zinc/93/37/70/1066933770.db2.gz XNYGZGAQLSJIOC-QGZVFWFLSA-N 0 0 452.555 4.694 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2OCC)[C@H]1c1ccc(OC)cc1 ZINC001457872394 1066933977 /nfs/dbraw/zinc/93/39/77/1066933977.db2.gz VLJPUVFZDFKMFR-ZEQKJWHPSA-N 0 0 452.595 4.799 20 0 JJADRN COc1ccc2cccc(CC(=O)NCc3cnn(-c4ccc(Br)cc4)c3)c2c1 ZINC001448504173 1066934004 /nfs/dbraw/zinc/93/40/04/1066934004.db2.gz DWZWLBNCDLDIPX-UHFFFAOYSA-N 0 0 450.336 4.656 20 0 JJADRN Cc1cc(C)n(CCCn2c(C3CCC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC001492761486 1066934086 /nfs/dbraw/zinc/93/40/86/1066934086.db2.gz NOCJFKOVLBBXNI-UHFFFAOYSA-N 0 0 485.677 4.533 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc1 ZINC001448503255 1066934127 /nfs/dbraw/zinc/93/41/27/1066934127.db2.gz PDASYQNLVLJZGX-UHFFFAOYSA-N 0 0 455.555 4.946 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)C(C)(C)C2)n1 ZINC001492761627 1066934116 /nfs/dbraw/zinc/93/41/16/1066934116.db2.gz RTUSHULNWWVVSS-KRWDZBQOSA-N 0 0 456.585 4.923 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC001492761413 1066934303 /nfs/dbraw/zinc/93/43/03/1066934303.db2.gz LYBULTDQCSQSTL-LJQANCHMSA-N 0 0 494.537 4.870 20 0 JJADRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCc2cccc(Br)c2C1 ZINC001457875586 1066934425 /nfs/dbraw/zinc/93/44/25/1066934425.db2.gz CCWHAANBHXSGDN-UHFFFAOYSA-N 0 0 450.258 4.852 20 0 JJADRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001448506234 1066934557 /nfs/dbraw/zinc/93/45/57/1066934557.db2.gz ADFPMRRCGOLXST-MQMHXKEQSA-N 0 0 451.388 4.675 20 0 JJADRN CC(C)c1c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1Cl ZINC001457876950 1066934565 /nfs/dbraw/zinc/93/45/65/1066934565.db2.gz WBXSCLQPBHSBFN-UHFFFAOYSA-N 0 0 452.864 4.872 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C(C)C)n1 ZINC001492761870 1066934699 /nfs/dbraw/zinc/93/46/99/1066934699.db2.gz YWVJOOBDPKMYJM-XZOQPEGZSA-N 0 0 499.704 4.921 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)CSc3cccc(Br)c3)n2)cc1F ZINC001457877630 1066934880 /nfs/dbraw/zinc/93/48/80/1066934880.db2.gz QGOMYOFMIUAVNI-GFCCVEGCSA-N 0 0 450.333 4.916 20 0 JJADRN Cc1cc(C)n(CCCn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)n1 ZINC001492762240 1066934948 /nfs/dbraw/zinc/93/49/48/1066934948.db2.gz KMXGVWGTZSROTH-OAQYLSRUSA-N 0 0 457.022 4.711 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C)CC2)n1 ZINC001492762417 1066935122 /nfs/dbraw/zinc/93/51/22/1066935122.db2.gz QSOPZOXRPDUEMY-QIJUGHKUSA-N 0 0 485.677 4.579 20 0 JJADRN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2ccccc2NC(C)(C)C)c1O ZINC001448510377 1066935268 /nfs/dbraw/zinc/93/52/68/1066935268.db2.gz PVLLQQGEXDRQMB-UHFFFAOYSA-N 0 0 457.530 4.960 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881942 1066935340 /nfs/dbraw/zinc/93/53/40/1066935340.db2.gz CKZJSINBWKBRDR-NSHDSACASA-N 0 0 454.246 4.938 20 0 JJADRN Cc1cc(C)n(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC001492762422 1066935378 /nfs/dbraw/zinc/93/53/78/1066935378.db2.gz QXLGUCXXDDTQOD-LJQANCHMSA-N 0 0 495.628 4.510 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001448513564 1066935526 /nfs/dbraw/zinc/93/55/26/1066935526.db2.gz GXIPYJBSCHLMAP-DLBZAZTESA-N 0 0 451.405 4.902 20 0 JJADRN COc1cc(F)c(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c(Cl)c1 ZINC001457884318 1066935712 /nfs/dbraw/zinc/93/57/12/1066935712.db2.gz KDNPMQARTRCWAW-SECBINFHSA-N 0 0 454.683 4.791 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3C)nnc2N2CCC=C(Br)C2)s1 ZINC001492765261 1066936088 /nfs/dbraw/zinc/93/60/88/1066936088.db2.gz AMYRKLYJVVXJCD-UHFFFAOYSA-N 0 0 459.417 4.535 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)c(C)n2n1 ZINC001457885630 1066936127 /nfs/dbraw/zinc/93/61/27/1066936127.db2.gz IZAYEVYCSFUBOU-UHFFFAOYSA-N 0 0 457.308 4.812 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1nc(Br)sc1C1CC1 ZINC001448534554 1066936258 /nfs/dbraw/zinc/93/62/58/1066936258.db2.gz KHMKWKSYFJLADZ-LLVKDONJSA-N 0 0 450.358 4.573 20 0 JJADRN C[C@@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457886724 1066936569 /nfs/dbraw/zinc/93/65/69/1066936569.db2.gz RNKUDGOIDLHUNQ-KDOFPFPSSA-N 0 0 456.340 4.884 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)[C@H](C)C2)s1 ZINC001492765286 1066936540 /nfs/dbraw/zinc/93/65/40/1066936540.db2.gz BNCPHAGLAWAFMK-OKILXGFUSA-N 0 0 461.433 4.593 20 0 JJADRN Cc1sc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001448535917 1066936811 /nfs/dbraw/zinc/93/68/11/1066936811.db2.gz DRQBAIXEHPSAIU-UHFFFAOYSA-N 0 0 458.584 4.635 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC001448536584 1066936820 /nfs/dbraw/zinc/93/68/20/1066936820.db2.gz FIXJAGDUTHGYMH-ROUUACIJSA-N 0 0 455.368 4.945 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001457889328 1066936842 /nfs/dbraw/zinc/93/68/42/1066936842.db2.gz UWCYRVZHGCTQMP-MRXNPFEDSA-N 0 0 459.276 4.642 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC001492765456 1066936900 /nfs/dbraw/zinc/93/69/00/1066936900.db2.gz HPXNWJCIDIGNSK-WMLDXEAASA-N 0 0 492.491 4.854 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492765463 1066936996 /nfs/dbraw/zinc/93/69/96/1066936996.db2.gz HRGNRLCCHHPUCA-ZIAGYGMSSA-N 0 0 493.500 4.831 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)Cc3noc4ccc(Br)cc43)n2)cc1 ZINC001457888195 1066936883 /nfs/dbraw/zinc/93/68/83/1066936883.db2.gz WEKPXLFYBAAWGP-LBPRGKRZSA-N 0 0 455.312 4.623 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)Cc3noc4ccc(Br)cc43)n2)cc1 ZINC001457888191 1066936916 /nfs/dbraw/zinc/93/69/16/1066936916.db2.gz WEKPXLFYBAAWGP-GFCCVEGCSA-N 0 0 455.312 4.623 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC001448537642 1066937081 /nfs/dbraw/zinc/93/70/81/1066937081.db2.gz IVPWQQOMUWRSIL-UHFFFAOYSA-N 0 0 452.244 4.827 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1NC(=O)NC(C)(C)C ZINC001448538456 1066937244 /nfs/dbraw/zinc/93/72/44/1066937244.db2.gz XZGYUUSBMJNKTQ-QGZVFWFLSA-N 0 0 452.555 4.705 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CCC[C@H](C)C2)s1 ZINC001492765521 1066937389 /nfs/dbraw/zinc/93/73/89/1066937389.db2.gz JKBIHDYHDQFJPJ-AWEZNQCLSA-N 0 0 461.433 4.737 20 0 JJADRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc1 ZINC001448540038 1066937633 /nfs/dbraw/zinc/93/76/33/1066937633.db2.gz GUUCHSWGWVROCY-QTGUNEKASA-N 0 0 454.542 4.871 20 0 JJADRN CN(C)Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1Cl ZINC001448541495 1066938008 /nfs/dbraw/zinc/93/80/08/1066938008.db2.gz QDXZTGRGIWFXBZ-IBGZPJMESA-N 0 0 454.785 4.952 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2scnc2C)s1 ZINC001492765978 1066938018 /nfs/dbraw/zinc/93/80/18/1066938018.db2.gz XXBBSQMATSCWJH-HNNXBMFYSA-N 0 0 487.630 4.751 20 0 JJADRN Cc1nnc(CCCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CC(C)(C)C)s1 ZINC001492765926 1066938054 /nfs/dbraw/zinc/93/80/54/1066938054.db2.gz WSMXXUALJSKDQS-UHFFFAOYSA-N 0 0 450.616 4.610 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2N(C)C2CCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC001457896356 1066938026 /nfs/dbraw/zinc/93/80/26/1066938026.db2.gz AVAWWEXXLREJCH-UHFFFAOYSA-N 0 0 455.624 4.801 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1c(C)c(C)sc1Br ZINC001457897165 1066938034 /nfs/dbraw/zinc/93/80/34/1066938034.db2.gz XMNVUFWZGISJBG-AWEZNQCLSA-N 0 0 450.276 4.531 20 0 JJADRN COc1ccccc1N1CC[C@H](NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1=O ZINC001457895885 1066938083 /nfs/dbraw/zinc/93/80/83/1066938083.db2.gz QHFUFAOENQHNDU-NZQKXSOJSA-N 0 0 450.535 4.589 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492765863 1066938120 /nfs/dbraw/zinc/93/81/20/1066938120.db2.gz UXNDBUSTIILPSW-ZIAGYGMSSA-N 0 0 493.500 4.831 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2C)s1 ZINC001492765983 1066938392 /nfs/dbraw/zinc/93/83/92/1066938392.db2.gz YCXHWOZWHRSFPA-LJQANCHMSA-N 0 0 494.669 4.506 20 0 JJADRN CN(c1ccccc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)C1CCCC1 ZINC001457898103 1066938423 /nfs/dbraw/zinc/93/84/23/1066938423.db2.gz KRMXOTPLLRVTTF-UHFFFAOYSA-N 0 0 454.621 4.946 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)s1 ZINC001492766067 1066938596 /nfs/dbraw/zinc/93/85/96/1066938596.db2.gz AFHOYHUCXYIRDJ-UHFFFAOYSA-N 0 0 452.550 4.713 20 0 JJADRN Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl)C2=O ZINC001457902322 1066938792 /nfs/dbraw/zinc/93/87/92/1066938792.db2.gz KLENGUMEPPKQLA-UHFFFAOYSA-N 0 0 453.325 4.881 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)c2ccc(OC(F)F)c(Br)c2)c1 ZINC001457901404 1066938822 /nfs/dbraw/zinc/93/88/22/1066938822.db2.gz DCDONIDTBJWXFM-UHFFFAOYSA-N 0 0 452.198 4.591 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC001492766525 1066938941 /nfs/dbraw/zinc/93/89/41/1066938941.db2.gz OOXPFNWEOUVHQZ-LJQANCHMSA-N 0 0 475.062 4.891 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cnn(Cc3ccccc3)c2)s1 ZINC001492766571 1066939033 /nfs/dbraw/zinc/93/90/33/1066939033.db2.gz QAEHHGBSGVMLKH-UHFFFAOYSA-N 0 0 478.670 4.541 20 0 JJADRN Cc1nnc(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001492766441 1066939054 /nfs/dbraw/zinc/93/90/54/1066939054.db2.gz MRLMPGJQHSGSJU-GOSISDBHSA-N 0 0 464.998 4.741 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553659 1066938924 /nfs/dbraw/zinc/93/89/24/1066938924.db2.gz QZIDWDSGBFIJIW-DJJJIMSYSA-N 0 0 458.502 4.511 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492766393 1066939114 /nfs/dbraw/zinc/93/91/14/1066939114.db2.gz LBMWNBXQFOQMFV-HSZRJFAPSA-N 0 0 489.089 4.873 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccnn2CC2CCC2)cc(C(F)(F)F)c1 ZINC001448554317 1066939245 /nfs/dbraw/zinc/93/92/45/1066939245.db2.gz YGAIMCHWBYQRHL-UHFFFAOYSA-N 0 0 452.477 4.979 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(O)cc3)CC2)s1 ZINC001492766834 1066939447 /nfs/dbraw/zinc/93/94/47/1066939447.db2.gz XXEFABJERCUDQZ-UHFFFAOYSA-N 0 0 452.628 4.659 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1Br ZINC001448555603 1066939346 /nfs/dbraw/zinc/93/93/46/1066939346.db2.gz XBEPJNSWIARQQI-UHFFFAOYSA-N 0 0 459.384 4.845 20 0 JJADRN CN(c1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C1CCCC1 ZINC001457905074 1066939455 /nfs/dbraw/zinc/93/94/55/1066939455.db2.gz YJAGSNQPRRECGS-HXUWFJFHSA-N 0 0 454.958 4.563 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC001492766925 1066939725 /nfs/dbraw/zinc/93/97/25/1066939725.db2.gz AATSLTRYIWRYAU-APWZRJJASA-N 0 0 458.607 4.804 20 0 JJADRN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001448577204 1066939794 /nfs/dbraw/zinc/93/97/94/1066939794.db2.gz MJVIQOALMMCHNL-CTYIDZIISA-N 0 0 451.388 4.675 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NCc3nc(-c4cccc(F)c4)no3)c2)n1 ZINC001448571093 1066939818 /nfs/dbraw/zinc/93/98/18/1066939818.db2.gz NFDPVMBOBUXJHL-UHFFFAOYSA-N 0 0 452.877 4.610 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C(/C)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001448577271 1066940149 /nfs/dbraw/zinc/94/01/49/1066940149.db2.gz GCAXTKCBKYPBHV-ANVLDHPDSA-N 0 0 453.489 4.591 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(Cl)cc1I ZINC001448577631 1066940338 /nfs/dbraw/zinc/94/03/38/1066940338.db2.gz IVOGSHMQJZOVIJ-NSHDSACASA-N 0 0 459.686 4.609 20 0 JJADRN Cc1ccccc1CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457911177 1066940470 /nfs/dbraw/zinc/94/04/70/1066940470.db2.gz STIQMAQKNLNAJN-UHFFFAOYSA-N 0 0 454.567 4.994 20 0 JJADRN COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC001457912509 1066940519 /nfs/dbraw/zinc/94/05/19/1066940519.db2.gz ZTJHPCKYPHDFNI-UHFFFAOYSA-N 0 0 450.922 4.926 20 0 JJADRN Cc1nnc(CCCn2c(N(C)CCC(F)(F)F)nnc2C2(c3ccccc3)CCC2)s1 ZINC001492767762 1066940844 /nfs/dbraw/zinc/94/08/44/1066940844.db2.gz ZFDOHKNEXMHZBQ-UHFFFAOYSA-N 0 0 464.561 4.929 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@H]2CC=CCC2)s1 ZINC001492767735 1066941032 /nfs/dbraw/zinc/94/10/32/1066941032.db2.gz CGURAZMFKBEWNT-INIZCTEOSA-N 0 0 473.444 4.903 20 0 JJADRN COc1cc(C(=O)CCC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc(OC)c1OC ZINC001448596506 1066941125 /nfs/dbraw/zinc/94/11/25/1066941125.db2.gz USLBSFGSFREKAC-QGZVFWFLSA-N 0 0 453.457 4.794 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492767885 1066941516 /nfs/dbraw/zinc/94/15/16/1066941516.db2.gz GCIRONYBQWKWRS-OWCLPIDISA-N 0 0 461.035 4.956 20 0 JJADRN O=C(Nc1ncc(Br)cc1I)c1ccsc1C(F)F ZINC001457919174 1066941906 /nfs/dbraw/zinc/94/19/06/1066941906.db2.gz WFMPWCUCFQFPAE-UHFFFAOYSA-N 0 0 459.053 4.700 20 0 JJADRN C[C@@H](CC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448614677 1066941913 /nfs/dbraw/zinc/94/19/13/1066941913.db2.gz RSYLXNMZLIUBFO-IPELMVKDSA-N 0 0 452.542 4.933 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@H](OCC(C)C)C2)s1 ZINC001492768051 1066941915 /nfs/dbraw/zinc/94/19/15/1066941915.db2.gz MAZSJNYVISKCSN-UZLBHIALSA-N 0 0 491.061 4.725 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492768059 1066941925 /nfs/dbraw/zinc/94/19/25/1066941925.db2.gz MDDMVRRXNFUEMR-BBWFWOEESA-N 0 0 491.061 4.705 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)s1 ZINC001492768361 1066942208 /nfs/dbraw/zinc/94/22/08/1066942208.db2.gz VERHATQXSUAPLR-HOTGVXAUSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)s1 ZINC001492768362 1066942221 /nfs/dbraw/zinc/94/22/21/1066942221.db2.gz VERHATQXSUAPLR-HZPDHXFCSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC2CCOCC2)s1 ZINC001492768396 1066942321 /nfs/dbraw/zinc/94/23/21/1066942321.db2.gz VWHKAUJLCHGWRC-UHFFFAOYSA-N 0 0 454.644 4.508 20 0 JJADRN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1)Oc1ccccc1F ZINC001546008253 1066942387 /nfs/dbraw/zinc/94/23/87/1066942387.db2.gz NGQODUGHQIZFCY-FQEVSTJZSA-N 0 0 469.605 4.580 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H](C)CC2)s1 ZINC001492768319 1066942414 /nfs/dbraw/zinc/94/24/14/1066942414.db2.gz UBPUBUGDXVGBQP-AWEZNQCLSA-N 0 0 461.433 4.737 20 0 JJADRN O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001448616842 1066942506 /nfs/dbraw/zinc/94/25/06/1066942506.db2.gz RAQKWCDKWPHWDL-UHFFFAOYSA-N 0 0 458.345 4.616 20 0 JJADRN Cc1nnc(CCn2c(-c3ccccc3Br)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492769353 1066942665 /nfs/dbraw/zinc/94/26/65/1066942665.db2.gz AZTUHKIEUFKKPY-KRWDZBQOSA-N 0 0 461.433 4.735 20 0 JJADRN Cc1nnc(CCn2c(COc3ccccc3F)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492769449 1066942792 /nfs/dbraw/zinc/94/27/92/1066942792.db2.gz BAZPQAULIMTHDL-UHFFFAOYSA-N 0 0 484.523 4.568 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC001457931006 1066942852 /nfs/dbraw/zinc/94/28/52/1066942852.db2.gz VOKWWCFJYNTGFY-HXUWFJFHSA-N 0 0 454.954 4.842 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492770004 1066943091 /nfs/dbraw/zinc/94/30/91/1066943091.db2.gz MLZOHWZTZRPIFR-UHFFFAOYSA-N 0 0 485.828 4.812 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2cccs2)s1 ZINC001492769846 1066943206 /nfs/dbraw/zinc/94/32/06/1066943206.db2.gz JJSNAMVLUBCUJB-UHFFFAOYSA-N 0 0 461.016 4.611 20 0 JJADRN Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2ccc(F)cc2)s1 ZINC001492770073 1066943218 /nfs/dbraw/zinc/94/32/18/1066943218.db2.gz NNJWRBYMHDZMQR-QFIXIFRTSA-N 0 0 472.634 4.936 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001457934911 1066943165 /nfs/dbraw/zinc/94/31/65/1066943165.db2.gz JYQYNCUTWLRZFT-BDJLRTHQSA-N 0 0 459.167 4.815 20 0 JJADRN O=C(CNc1cccc(C(F)(F)F)c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448619677 1066943221 /nfs/dbraw/zinc/94/32/21/1066943221.db2.gz JBEPNIZZCSKJDQ-UHFFFAOYSA-N 0 0 456.306 4.983 20 0 JJADRN O=C(CCCCCc1ccc(O)cc1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001457933869 1066943314 /nfs/dbraw/zinc/94/33/14/1066943314.db2.gz OOERUASWGOHDMZ-FQEVSTJZSA-N 0 0 454.533 4.535 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)cc(Br)c1)c1noc(-c2ccccc2)n1 ZINC001457936951 1066943762 /nfs/dbraw/zinc/94/37/62/1066943762.db2.gz FIPTYDFKQKUYAW-SNVBAGLBSA-N 0 0 451.118 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)Nc2c[nH]nc2-c2ccccc2F)C1 ZINC001448620742 1066943927 /nfs/dbraw/zinc/94/39/27/1066943927.db2.gz JJVVWAWMXNKHLQ-UHFFFAOYSA-N 0 0 452.486 4.598 20 0 JJADRN Cc1nnc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492771375 1066944049 /nfs/dbraw/zinc/94/40/49/1066944049.db2.gz OAMWQFDZNFWJMC-GFCCVEGCSA-N 0 0 470.496 4.544 20 0 JJADRN CN(CCOc1ccccc1C(C)(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001448622803 1066944274 /nfs/dbraw/zinc/94/42/74/1066944274.db2.gz XHMALKBFDYVHLW-UHFFFAOYSA-N 0 0 452.982 4.999 20 0 JJADRN CCc1[nH]c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(C)c1C(=O)OC ZINC001457940491 1066944347 /nfs/dbraw/zinc/94/43/47/1066944347.db2.gz AHVIRJZCLGIACA-UHFFFAOYSA-N 0 0 459.468 4.929 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 ZINC001448623130 1066944888 /nfs/dbraw/zinc/94/48/88/1066944888.db2.gz SCGHALUGDMKQFT-UHFFFAOYSA-N 0 0 459.388 4.568 20 0 JJADRN Cc1nnc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)s1 ZINC001492772280 1066944942 /nfs/dbraw/zinc/94/49/42/1066944942.db2.gz VCUYFLCECOCJPB-DLBZAZTESA-N 0 0 495.422 4.637 20 0 JJADRN Cc1nnc(Cn2c(-c3cccc(Br)c3)nnc2N(CCC(C)C)C2CC2)s1 ZINC001492771983 1066944955 /nfs/dbraw/zinc/94/49/55/1066944955.db2.gz WOKCUFMMKCDEOW-UHFFFAOYSA-N 0 0 461.433 4.931 20 0 JJADRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001457944477 1066945146 /nfs/dbraw/zinc/94/51/46/1066945146.db2.gz WYTRRKUESAUUHH-IGKOOGGESA-N 0 0 453.391 4.665 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC001457943871 1066945217 /nfs/dbraw/zinc/94/52/17/1066945217.db2.gz MSOBJHFVTXMEDR-HXUWFJFHSA-N 0 0 456.530 4.650 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(CC)C1CC1)NC(=O)OC(C)(C)C ZINC001546008339 1066945327 /nfs/dbraw/zinc/94/53/27/1066945327.db2.gz OXDKSUOFOOWLPK-IBGZPJMESA-N 0 0 452.603 4.573 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2cc(Br)cn2C)o1 ZINC001457946802 1066945550 /nfs/dbraw/zinc/94/55/50/1066945550.db2.gz IJROZZVRTRTQSG-UHFFFAOYSA-N 0 0 453.340 4.814 20 0 JJADRN O=C(CN1C(=O)CCc2ccccc21)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001457946410 1066945559 /nfs/dbraw/zinc/94/55/59/1066945559.db2.gz QLMATASOAJRGQI-UHFFFAOYSA-N 0 0 453.464 4.609 20 0 JJADRN O=C(NC[C@H](CO)CC1CCOCC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001448636904 1066945732 /nfs/dbraw/zinc/94/57/32/1066945732.db2.gz UCJVKHJDHGJWLJ-VGOFRKELSA-N 0 0 452.378 4.655 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1=O ZINC001448632976 1066945867 /nfs/dbraw/zinc/94/58/67/1066945867.db2.gz WQTRWWYWFPSOMV-KZNAEPCWSA-N 0 0 459.359 4.566 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001448637283 1066946317 /nfs/dbraw/zinc/94/63/17/1066946317.db2.gz VZQXMKAPIZLATR-ZDUSSCGKSA-N 0 0 453.382 4.769 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001457949738 1066946433 /nfs/dbraw/zinc/94/64/33/1066946433.db2.gz CLQMHVPZRSRIHJ-GOSISDBHSA-N 0 0 459.587 4.550 20 0 JJADRN COc1cc(Br)cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC001457950358 1066946755 /nfs/dbraw/zinc/94/67/55/1066946755.db2.gz KGHIXPUOZKVUFI-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001492776905 1066947251 /nfs/dbraw/zinc/94/72/51/1066947251.db2.gz JQHJFPNHGWCACZ-FYYLOGMGSA-N 0 0 469.630 4.590 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2)c1 ZINC001448658156 1066947350 /nfs/dbraw/zinc/94/73/50/1066947350.db2.gz GLFXRGCCXANPGX-MXVIHJGJSA-N 0 0 453.535 4.886 20 0 JJADRN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC001448661641 1066947409 /nfs/dbraw/zinc/94/74/09/1066947409.db2.gz LHYXZNVSBVURMF-GGPKGHCWSA-N 0 0 454.567 4.523 20 0 JJADRN Cc1cc([C@H](CC(=O)N[C@H]2CCOC3(CCCC3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457954061 1066947578 /nfs/dbraw/zinc/94/75/78/1066947578.db2.gz MSLDIFPLFSFTNC-ROUUACIJSA-N 0 0 451.995 4.607 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)n2)c1 ZINC001448668676 1066947775 /nfs/dbraw/zinc/94/77/75/1066947775.db2.gz CKRQPGWPVRDCOB-AWEZNQCLSA-N 0 0 454.962 4.694 20 0 JJADRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Br)c[nH]2)c(Br)c1 ZINC001448666513 1066947815 /nfs/dbraw/zinc/94/78/15/1066947815.db2.gz DIQZIJULVGPENF-OAHLLOKOSA-N 0 0 456.178 4.670 20 0 JJADRN O=C(c1c(Cl)oc2ccccc21)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001457956484 1066947945 /nfs/dbraw/zinc/94/79/45/1066947945.db2.gz FMEGVUMSFOWKJJ-UHFFFAOYSA-N 0 0 451.832 4.681 20 0 JJADRN C[C@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001448671665 1066948186 /nfs/dbraw/zinc/94/81/86/1066948186.db2.gz LJZOAVXYXQUTDE-OAHLLOKOSA-N 0 0 456.505 4.615 20 0 JJADRN C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001448671658 1066948220 /nfs/dbraw/zinc/94/82/20/1066948220.db2.gz LJZOAVXYXQUTDE-HNNXBMFYSA-N 0 0 456.505 4.615 20 0 JJADRN CCC[C@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(F)cc1F ZINC001457957177 1066948380 /nfs/dbraw/zinc/94/83/80/1066948380.db2.gz VAGRNLAYFCSGJY-KRWDZBQOSA-N 0 0 455.431 4.628 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546095401 1066948408 /nfs/dbraw/zinc/94/84/08/1066948408.db2.gz MBSYNJQREUKXHU-CUNXSJBXSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001492783815 1066948573 /nfs/dbraw/zinc/94/85/73/1066948573.db2.gz YQYUVXJBXVYHLP-UHFFFAOYSA-N 0 0 495.609 4.523 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)C(C)(C)C ZINC001457957446 1066948719 /nfs/dbraw/zinc/94/87/19/1066948719.db2.gz FRUDTXSNEKHTDP-QFIPXVFZSA-N 0 0 453.558 4.531 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)Cc1ccc2c(c1)OC(F)(F)O2)C1CCCCCC1 ZINC001457957804 1066948730 /nfs/dbraw/zinc/94/87/30/1066948730.db2.gz XSOQEOFOORELOH-UHFFFAOYSA-N 0 0 454.514 4.627 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc4c([nH]3)c(Cl)ccc4Br)n2)c1 ZINC001448674157 1066948804 /nfs/dbraw/zinc/94/88/04/1066948804.db2.gz JLVGYHNVWUCCQL-JTQLQIEISA-N 0 0 459.735 4.563 20 0 JJADRN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(C)c(Cl)cc1I ZINC001448673742 1066948811 /nfs/dbraw/zinc/94/88/11/1066948811.db2.gz NTTXQWPZBAPMGJ-GFCCVEGCSA-N 0 0 458.727 4.952 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)c2)n1 ZINC001448675470 1066949117 /nfs/dbraw/zinc/94/91/17/1066949117.db2.gz RSNRUBFNTWNHOZ-PKOBYXMFSA-N 0 0 453.340 4.591 20 0 JJADRN O=C(CCc1cccc(OCc2ccccc2)c1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001457962447 1066949187 /nfs/dbraw/zinc/94/91/87/1066949187.db2.gz BBRJOLDVPVKYDG-AREMUKBSSA-N 0 0 456.586 4.548 20 0 JJADRN O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)cc(Br)c1[O-] ZINC001457962624 1066949208 /nfs/dbraw/zinc/94/92/08/1066949208.db2.gz VUUFFRYOADPUIN-UHFFFAOYSA-N 0 0 451.792 4.840 20 0 JJADRN COC(=O)c1cc(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)cc(S(C)(=O)=O)c1 ZINC001457966322 1066949545 /nfs/dbraw/zinc/94/95/45/1066949545.db2.gz LBTPXJHNJZYXNK-UHFFFAOYSA-N 0 0 458.363 4.535 20 0 JJADRN CCCc1c(NC(=O)c2c(Cl)n(C)nc2C(C)C)cnn1-c1cc(F)c(OC)cc1F ZINC001448677893 1066949642 /nfs/dbraw/zinc/94/96/42/1066949642.db2.gz QEJMSZJSJYHIPA-UHFFFAOYSA-N 0 0 451.905 4.874 20 0 JJADRN Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC(C)(C)N1CCOCC1 ZINC001492788615 1066949970 /nfs/dbraw/zinc/94/99/70/1066949970.db2.gz WHPLHAFIFXDFNE-UHFFFAOYSA-N 0 0 498.897 4.776 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 ZINC001448679688 1066949942 /nfs/dbraw/zinc/94/99/42/1066949942.db2.gz YWPCWCKPVDMWPQ-XUVXKRRUSA-N 0 0 459.384 4.996 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1Nc1ccccc1 ZINC001448679760 1066950034 /nfs/dbraw/zinc/95/00/34/1066950034.db2.gz OQKSMSSLYSAQCX-OAQYLSRUSA-N 0 0 450.336 4.728 20 0 JJADRN Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001492788804 1066950018 /nfs/dbraw/zinc/95/00/18/1066950018.db2.gz CHJJAPARCWAZSB-OAQYLSRUSA-N 0 0 467.570 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(OCc4ccccc4F)CC3)CCCC[C@H]12 ZINC001457975263 1066950260 /nfs/dbraw/zinc/95/02/60/1066950260.db2.gz BVHVMHFEYZFHMI-BKMJKUGQSA-N 0 0 460.590 4.903 20 0 JJADRN CCO[C@H](CNC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001448682488 1066950362 /nfs/dbraw/zinc/95/03/62/1066950362.db2.gz MDFKAGNGWIAISM-JTHBVZDNSA-N 0 0 452.551 4.763 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001492790480 1066950375 /nfs/dbraw/zinc/95/03/75/1066950375.db2.gz HONDPKXKIGSKAK-GHTZIAJQSA-N 0 0 491.455 4.577 20 0 JJADRN Cc1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492792609 1066950512 /nfs/dbraw/zinc/95/05/12/1066950512.db2.gz AKKBCVBAPORPBI-KZULUSFZSA-N 0 0 454.930 4.918 20 0 JJADRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)n2)c1 ZINC001448684555 1066950877 /nfs/dbraw/zinc/95/08/77/1066950877.db2.gz VDBYNFDZEADQMM-ZDUSSCGKSA-N 0 0 456.934 4.667 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2nc3ccc(Cl)nc3s2)cc1Cl ZINC001448684542 1066950899 /nfs/dbraw/zinc/95/08/99/1066950899.db2.gz RFOKIHWPHPBMEJ-UHFFFAOYSA-N 0 0 451.364 4.618 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@@H](O)c1ccccc1 ZINC001448686386 1066950921 /nfs/dbraw/zinc/95/09/21/1066950921.db2.gz HAXDPCVNWQTJBM-SFTDATJTSA-N 0 0 459.409 4.990 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@H]1c1cccc(Cl)c1 ZINC001457979808 1066951047 /nfs/dbraw/zinc/95/10/47/1066951047.db2.gz JMGOLQHWUZFXIH-MGPUTAFESA-N 0 0 458.743 4.809 20 0 JJADRN CCCCCC[C@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001448687629 1066951309 /nfs/dbraw/zinc/95/13/09/1066951309.db2.gz HNFPPHJHASOVBG-HKUYNNGSSA-N 0 0 452.437 4.927 20 0 JJADRN Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492798062 1066951272 /nfs/dbraw/zinc/95/12/72/1066951272.db2.gz XSVZPWSLVMNCEC-ICSRJNTNSA-N 0 0 455.569 4.621 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)c1ccc(OC)cc1OC ZINC001457982813 1066951550 /nfs/dbraw/zinc/95/15/50/1066951550.db2.gz LVRYVPIUUAZJJW-OAQYLSRUSA-N 0 0 455.457 4.683 20 0 JJADRN O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001457984538 1066952004 /nfs/dbraw/zinc/95/20/04/1066952004.db2.gz PECOZHZVQQUQGM-NRFANRHFSA-N 0 0 451.369 4.744 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@H](O)c1ccccc1 ZINC001448692023 1066952132 /nfs/dbraw/zinc/95/21/32/1066952132.db2.gz NSJSMHMWNRCZMW-XZOQPEGZSA-N 0 0 454.617 4.967 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)c1-c1ccc(Cl)cc1 ZINC001457985838 1066952438 /nfs/dbraw/zinc/95/24/38/1066952438.db2.gz WRTDKVMGADTIAM-UHFFFAOYSA-N 0 0 454.939 4.638 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC001448719647 1066953088 /nfs/dbraw/zinc/95/30/88/1066953088.db2.gz LTCKLIJAHAXDCO-SDHSZQHLSA-N 0 0 455.620 4.515 20 0 JJADRN CC[C@@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001448719786 1066953119 /nfs/dbraw/zinc/95/31/19/1066953119.db2.gz GIRKXFQEALXCRY-QHCPKHFHSA-N 0 0 452.595 4.809 20 0 JJADRN Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492799878 1066953082 /nfs/dbraw/zinc/95/30/82/1066953082.db2.gz QSTXXJZEMKQALP-NRFANRHFSA-N 0 0 460.047 4.992 20 0 JJADRN COC(=O)C1CCC(NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)(C(=O)OC)CC1 ZINC001457989930 1066953323 /nfs/dbraw/zinc/95/33/23/1066953323.db2.gz UVYSGJYVMSVKET-UHFFFAOYSA-N 0 0 451.972 4.683 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCCO[C@@H](C)c1ccccc1 ZINC001492804433 1066953506 /nfs/dbraw/zinc/95/35/06/1066953506.db2.gz YCDMPQYZVUNOBL-FQEVSTJZSA-N 0 0 471.646 4.838 20 0 JJADRN Cc1cc(SCC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c(C)cc1Br ZINC001457991124 1066953792 /nfs/dbraw/zinc/95/37/92/1066953792.db2.gz CZIVLSFVRFCJFU-MRXNPFEDSA-N 0 0 450.398 4.796 20 0 JJADRN O=C(NCCc1cccc(OCc2ccccc2)c1)[C@H]1COc2ccc(Br)cc21 ZINC001457991271 1066953825 /nfs/dbraw/zinc/95/38/25/1066953825.db2.gz AHBXIUOOKILGPQ-QFIPXVFZSA-N 0 0 452.348 4.863 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)OCCc2sccc21 ZINC001492805071 1066954045 /nfs/dbraw/zinc/95/40/45/1066954045.db2.gz YGFHQBKSJFXPBB-RUZDIDTESA-N 0 0 489.686 4.610 20 0 JJADRN CC(=O)c1ccc(NC(=O)c2ccc(I)c(Br)c2)cc1C ZINC001457995119 1066954082 /nfs/dbraw/zinc/95/40/82/1066954082.db2.gz CZHYXRWYUUVUSD-UHFFFAOYSA-N 0 0 458.093 4.817 20 0 JJADRN Cc1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCc1ccc(Br)s1 ZINC001492806240 1066954443 /nfs/dbraw/zinc/95/44/43/1066954443.db2.gz JJPXTKZXRXZKKL-UHFFFAOYSA-N 0 0 460.445 4.758 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC1(c2cccc(F)c2)CC1 ZINC001492805082 1066954506 /nfs/dbraw/zinc/95/45/06/1066954506.db2.gz YPNWUERSIPZLGN-UHFFFAOYSA-N 0 0 457.594 4.541 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3C[C@H](C)N(Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997875 1066954588 /nfs/dbraw/zinc/95/45/88/1066954588.db2.gz IKECOIVDRKCNLK-ZWKOTPCHSA-N 0 0 451.592 4.562 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001492820368 1066954917 /nfs/dbraw/zinc/95/49/17/1066954917.db2.gz IJKVCTGWSLSWHV-CKHPTIKVSA-N 0 0 461.651 4.550 20 0 JJADRN Cc1nnc(N2CCc3cccc(Br)c3C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492826730 1066954964 /nfs/dbraw/zinc/95/49/64/1066954964.db2.gz CVKCOTRMJUMIDJ-UHFFFAOYSA-N 0 0 466.305 4.568 20 0 JJADRN Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492820529 1066955008 /nfs/dbraw/zinc/95/50/08/1066955008.db2.gz KDLWZLIONLOUOP-UHFFFAOYSA-N 0 0 452.521 4.939 20 0 JJADRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001448740413 1066955233 /nfs/dbraw/zinc/95/52/33/1066955233.db2.gz RCWJMZQNPTXCQN-UHFFFAOYSA-N 0 0 450.336 4.792 20 0 JJADRN C[C@](NC(=O)c1cc(Br)ncc1Br)(c1ccccc1)C(F)(F)F ZINC001457998811 1066955293 /nfs/dbraw/zinc/95/52/93/1066955293.db2.gz FQTJWSAJRUDROB-AWEZNQCLSA-N 0 0 452.068 4.814 20 0 JJADRN Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001492831910 1066955288 /nfs/dbraw/zinc/95/52/88/1066955288.db2.gz XKRBVEUFHFAGFY-UHFFFAOYSA-N 0 0 477.506 4.933 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001448758645 1066955667 /nfs/dbraw/zinc/95/56/67/1066955667.db2.gz QQXAWPRWZXVJTO-AZUAARDMSA-N 0 0 450.323 4.739 20 0 JJADRN CCSCc1ccnc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 ZINC001458003607 1066955857 /nfs/dbraw/zinc/95/58/57/1066955857.db2.gz ZIHFNOGOLOPYKY-UHFFFAOYSA-N 0 0 451.577 4.906 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492838669 1066956284 /nfs/dbraw/zinc/95/62/84/1066956284.db2.gz OPVYPOOQAMZTPK-KNQAVFIVSA-N 0 0 498.672 4.871 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001458007618 1066956305 /nfs/dbraw/zinc/95/63/05/1066956305.db2.gz UVUSYIWHJUICGV-UHFFFAOYSA-N 0 0 450.398 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)C1CC1 ZINC001448774063 1066956539 /nfs/dbraw/zinc/95/65/39/1066956539.db2.gz FSKZGCDWUHZHQJ-PZJWPPBQSA-N 0 0 456.562 4.963 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)NC(=O)c1cc(-c2cccs2)on1 ZINC001448772849 1066956668 /nfs/dbraw/zinc/95/66/68/1066956668.db2.gz KIWFWNIDHCCXAC-GFCCVEGCSA-N 0 0 452.317 4.759 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492842708 1066956738 /nfs/dbraw/zinc/95/67/38/1066956738.db2.gz DRWADNNIVCNAHL-PKOBYXMFSA-N 0 0 477.650 4.789 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001448781179 1066957014 /nfs/dbraw/zinc/95/70/14/1066957014.db2.gz VLZPNASKKMPPPA-GMAHTHKFSA-N 0 0 458.643 4.564 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492847162 1066957061 /nfs/dbraw/zinc/95/70/61/1066957061.db2.gz IXNICSXZIZSFGY-HNNXBMFYSA-N 0 0 452.456 4.683 20 0 JJADRN CC(=O)Nc1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc(C(F)(F)F)c1 ZINC001458016577 1066957328 /nfs/dbraw/zinc/95/73/28/1066957328.db2.gz ZFKARPLPYNXIIO-UHFFFAOYSA-N 0 0 455.436 4.846 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N[C@@H]1CCOc2c(F)cccc21)NC(=O)OC(C)(C)C ZINC001458022489 1066957716 /nfs/dbraw/zinc/95/77/16/1066957716.db2.gz ICRYTCLMDQWEEA-UXHICEINSA-N 0 0 458.530 4.820 20 0 JJADRN CS(=O)(=O)Nc1ccccc1CC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC001448790052 1066957980 /nfs/dbraw/zinc/95/79/80/1066957980.db2.gz XZUOFKAXWKRNRJ-UHFFFAOYSA-N 0 0 450.347 4.608 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492848919 1066957982 /nfs/dbraw/zinc/95/79/82/1066957982.db2.gz QWXVSJBJGAVFEB-IBGZPJMESA-N 0 0 497.562 4.811 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N(c2nccs2)c2ccc(F)c(Cl)c2)CC1 ZINC001458023626 1066958120 /nfs/dbraw/zinc/95/81/20/1066958120.db2.gz STVHBYKMQMOPTA-CYBMUJFWSA-N 0 0 456.008 4.838 20 0 JJADRN CC(=O)N1CC[C@H](NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c2ccccc21 ZINC001458024148 1066958131 /nfs/dbraw/zinc/95/81/31/1066958131.db2.gz UKWJXPLEYMEWGF-SFHVURJKSA-N 0 0 459.493 4.980 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)sc1C ZINC001448792192 1066958118 /nfs/dbraw/zinc/95/81/18/1066958118.db2.gz IVGIMMWDQKQWOB-QGZVFWFLSA-N 0 0 459.568 4.871 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001492848181 1066958083 /nfs/dbraw/zinc/95/80/83/1066958083.db2.gz MZYROEGAAUUNOL-NJYVYQBISA-N 0 0 463.667 4.511 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3nc4ccccc4s3)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492848288 1066958129 /nfs/dbraw/zinc/95/81/29/1066958129.db2.gz NZVMJLHEDNUHOV-WMZOPIPTSA-N 0 0 470.643 4.836 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC001448800003 1066958491 /nfs/dbraw/zinc/95/84/91/1066958491.db2.gz VQRDUAUFUUMQQW-CYBMUJFWSA-N 0 0 455.288 4.816 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC1(c2cccc(F)c2)CC1 ZINC001492851772 1066959029 /nfs/dbraw/zinc/95/90/29/1066959029.db2.gz JXQPGZNVNIVKLG-HXUWFJFHSA-N 0 0 493.574 4.928 20 0 JJADRN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492897177 1066959283 /nfs/dbraw/zinc/95/92/83/1066959283.db2.gz XHWVKCHFKZZJPJ-KSSFIOAISA-N 0 0 482.398 4.505 20 0 JJADRN Cc1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001492901064 1066959840 /nfs/dbraw/zinc/95/98/40/1066959840.db2.gz FIBHYQNOXFOANP-UHFFFAOYSA-N 0 0 499.994 4.783 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCOc3c(Br)cccc3C2)C(C)(C)C1(C)C ZINC001448824013 1066959884 /nfs/dbraw/zinc/95/98/84/1066959884.db2.gz GSMZRHOOCGKUKF-UHFFFAOYSA-N 0 0 452.389 4.564 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1nccs1)NC(=O)OC(C)(C)C ZINC001546009860 1066960006 /nfs/dbraw/zinc/96/00/06/1066960006.db2.gz APNCKPURFNAKPW-SFHVURJKSA-N 0 0 486.642 4.562 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC001458043742 1066959994 /nfs/dbraw/zinc/95/99/94/1066959994.db2.gz DRHWZHTTYGSAAM-UHFFFAOYSA-N 0 0 455.396 4.920 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCc1ccccc1Cl ZINC001492907844 1066960273 /nfs/dbraw/zinc/96/02/73/1066960273.db2.gz GTMVYFAMMOHYSM-UHFFFAOYSA-N 0 0 451.789 4.511 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001492909997 1066960364 /nfs/dbraw/zinc/96/03/64/1066960364.db2.gz ZQRXMDRGFXKKGH-AWEZNQCLSA-N 0 0 481.815 4.736 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458046177 1066960370 /nfs/dbraw/zinc/96/03/70/1066960370.db2.gz BNEWAERKEPRASB-AWEZNQCLSA-N 0 0 451.283 4.713 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1)OCc1ccccc1 ZINC001448826540 1066960413 /nfs/dbraw/zinc/96/04/13/1066960413.db2.gz KMNHXUVLBUCYLN-GOSISDBHSA-N 0 0 453.926 4.774 20 0 JJADRN CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC001458046601 1066960789 /nfs/dbraw/zinc/96/07/89/1066960789.db2.gz OUIBZCJRMAVDMO-IBGZPJMESA-N 0 0 456.533 4.721 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC001458047158 1066960848 /nfs/dbraw/zinc/96/08/48/1066960848.db2.gz IMTAPFAZIGGNPZ-HNNXBMFYSA-N 0 0 452.370 4.540 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001448836032 1066961106 /nfs/dbraw/zinc/96/11/06/1066961106.db2.gz DPZAMUAISCOCNQ-FXAWDEMLSA-N 0 0 453.583 4.952 20 0 JJADRN CC(C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1Br ZINC001458049316 1066961231 /nfs/dbraw/zinc/96/12/31/1066961231.db2.gz OUZMUJJSZXMMCL-GFCCVEGCSA-N 0 0 453.739 4.646 20 0 JJADRN CCc1c(NC(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)cnn1-c1ccccc1C ZINC001448835100 1066961243 /nfs/dbraw/zinc/96/12/43/1066961243.db2.gz JZWYCFTYPMFQHG-UHFFFAOYSA-N 0 0 451.571 4.667 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)N(C)C(=O)OC(C)(C)C ZINC001448834750 1066961277 /nfs/dbraw/zinc/96/12/77/1066961277.db2.gz WWCWVYSJWGBCSG-LBPRGKRZSA-N 0 0 455.271 4.932 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492944437 1066961209 /nfs/dbraw/zinc/96/12/09/1066961209.db2.gz UIDGXIZDSMZPKP-QRWLVFNGSA-N 0 0 498.455 4.974 20 0 JJADRN CC(C)Cc1ncnc(NC[C@@H](c2ccco2)N2CCCCC2)c1I ZINC001458052973 1066961637 /nfs/dbraw/zinc/96/16/37/1066961637.db2.gz FSPXVGUVESCWTA-INIZCTEOSA-N 0 0 454.356 4.512 20 0 JJADRN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCOc2c(Br)cccc2C1 ZINC001448837428 1066961658 /nfs/dbraw/zinc/96/16/58/1066961658.db2.gz YMGJZAKVRDWWDL-UHFFFAOYSA-N 0 0 450.130 4.728 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492949058 1066961711 /nfs/dbraw/zinc/96/17/11/1066961711.db2.gz PQZIKJJUMCDVHS-NGICGMGXSA-N 0 0 477.447 4.911 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)cc2s1 ZINC001448842256 1066962441 /nfs/dbraw/zinc/96/24/41/1066962441.db2.gz KLBBUETZOQIMRE-KGLIPLIRSA-N 0 0 452.646 4.722 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458055670 1066962587 /nfs/dbraw/zinc/96/25/87/1066962587.db2.gz VOQGJEKFHUUEFR-UHFFFAOYSA-N 0 0 459.571 4.587 20 0 JJADRN COCCOc1cccc(CC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001458055553 1066962599 /nfs/dbraw/zinc/96/25/99/1066962599.db2.gz CKVQWXPYHSSTMD-OAQYLSRUSA-N 0 0 455.599 4.556 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)n1ccc2ccccc2c1=O ZINC001448842476 1066962537 /nfs/dbraw/zinc/96/25/37/1066962537.db2.gz YMLMRQFGJKWESR-NSHDSACASA-N 0 0 455.230 4.862 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCCOc2ccc3ccccc3c2)CC[C@@H]1c1ccc(C)o1 ZINC001545695190 1066962594 /nfs/dbraw/zinc/96/25/94/1066962594.db2.gz JGNRAZXCIBRTMN-DHIUTWEWSA-N 0 0 450.535 4.989 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCCCOc2ccc3ccccc3c2)CC[C@H]1c1ccc(C)o1 ZINC001545695191 1066962703 /nfs/dbraw/zinc/96/27/03/1066962703.db2.gz JGNRAZXCIBRTMN-GOTSBHOMSA-N 0 0 450.535 4.989 20 0 JJADRN Cc1cc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(C)n1-c1ccon1 ZINC001448844458 1066962928 /nfs/dbraw/zinc/96/29/28/1066962928.db2.gz ILBODINCWXMKNX-UHFFFAOYSA-N 0 0 452.555 4.639 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](C)C1 ZINC001545696866 1066963014 /nfs/dbraw/zinc/96/30/14/1066963014.db2.gz WTUCGEGWYRLZTR-RTBURBONSA-N 0 0 450.587 4.531 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001545697270 1066963434 /nfs/dbraw/zinc/96/34/34/1066963434.db2.gz GXHNKKONXHJCJG-KOSHJBKYSA-N 0 0 450.966 4.996 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001545698324 1066963595 /nfs/dbraw/zinc/96/35/95/1066963595.db2.gz GWMBUMNIGUKEOC-CYBMUJFWSA-N 0 0 469.474 4.562 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001545697526 1066963604 /nfs/dbraw/zinc/96/36/04/1066963604.db2.gz PKGYKSFTRDGMLM-VGOFRKELSA-N 0 0 452.551 4.664 20 0 JJADRN COc1cc(OC)c(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1OC ZINC001458058996 1066963939 /nfs/dbraw/zinc/96/39/39/1066963939.db2.gz NAAGGCAMGMGNMD-QGZVFWFLSA-N 0 0 457.571 4.628 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC001448848315 1066963947 /nfs/dbraw/zinc/96/39/47/1066963947.db2.gz OFSQFKKFXWRDJL-UHFFFAOYSA-N 0 0 452.530 4.569 20 0 JJADRN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)nn1-c1ccccc1C(F)(F)F ZINC001458059075 1066964063 /nfs/dbraw/zinc/96/40/63/1066964063.db2.gz UVYQPQPGLOJBLL-LBPRGKRZSA-N 0 0 453.823 4.843 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001545701254 1066964278 /nfs/dbraw/zinc/96/42/78/1066964278.db2.gz HAOJZNMCDPFGNB-IFMALSPDSA-N 0 0 465.667 4.755 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001545700202 1066964326 /nfs/dbraw/zinc/96/43/26/1066964326.db2.gz LZTYRSVJUNPIIT-KROBSHITSA-N 0 0 452.620 4.959 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448852442 1066964461 /nfs/dbraw/zinc/96/44/61/1066964461.db2.gz WJXDWYZRJLDCQM-VQIMIIECSA-N 0 0 459.587 4.502 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 ZINC001545701768 1066964699 /nfs/dbraw/zinc/96/46/99/1066964699.db2.gz PSUHDPDTPIDHFX-FXAWDEMLSA-N 0 0 455.990 4.762 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC001545702568 1066964720 /nfs/dbraw/zinc/96/47/20/1066964720.db2.gz HHNGCUUXMPWFDL-UHFFFAOYSA-N 0 0 453.583 4.814 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001545702217 1066964756 /nfs/dbraw/zinc/96/47/56/1066964756.db2.gz XSSLUZQCYVLOIV-RXFWQSSRSA-N 0 0 453.606 4.640 20 0 JJADRN Cc1nc(-c2cccnc2)nc(Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1C ZINC001458061171 1066964827 /nfs/dbraw/zinc/96/48/27/1066964827.db2.gz VGCXOKFGPHOFSM-UHFFFAOYSA-N 0 0 452.561 4.834 20 0 JJADRN CCN(C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702581 1066965133 /nfs/dbraw/zinc/96/51/33/1066965133.db2.gz HXTBZOVUFVUSHD-KRWDZBQOSA-N 0 0 457.534 4.575 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)[C@H](CO)c3ccc(Cl)cc3)C2)n1 ZINC001448862966 1066965291 /nfs/dbraw/zinc/96/52/91/1066965291.db2.gz WFVGOOVLTPXFKH-YLJYHZDGSA-N 0 0 456.995 4.954 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2N2CCC(CO)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001545702836 1066965250 /nfs/dbraw/zinc/96/52/50/1066965250.db2.gz PWSVZOFETHPUBT-UHFFFAOYSA-N 0 0 458.484 4.661 20 0 JJADRN O=C(Nc1ccccc1N1CCC(CO)CC1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001545702752 1066965258 /nfs/dbraw/zinc/96/52/58/1066965258.db2.gz MYQCHBIVOHTDEH-UHFFFAOYSA-N 0 0 459.468 4.637 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001546010128 1066965472 /nfs/dbraw/zinc/96/54/72/1066965472.db2.gz GIXDDOSHRVAIBN-WOJBJXKFSA-N 0 0 497.606 4.787 20 0 JJADRN Cc1nc2ccccc2n1C1CCN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001448867014 1066965519 /nfs/dbraw/zinc/96/55/19/1066965519.db2.gz HEUBUSTWMLTZTG-ZCPJJFRWSA-N 0 0 452.599 4.712 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCC(C)CC1 ZINC001545703439 1066965676 /nfs/dbraw/zinc/96/56/76/1066965676.db2.gz GMEMQUHRRUVWIA-SCCNAQOGSA-N 0 0 450.631 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCc3cc(F)c(Cl)cc3F)ccc2C1 ZINC001448870788 1066965933 /nfs/dbraw/zinc/96/59/33/1066965933.db2.gz VILHHHDGYFGQFA-UHFFFAOYSA-N 0 0 452.885 4.678 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCC(Oc3ncccc3C)CC2)c2ccccc2)cc1 ZINC001448877027 1066966301 /nfs/dbraw/zinc/96/63/01/1066966301.db2.gz UEJKKDLJGKKSFG-VWLOTQADSA-N 0 0 457.574 4.630 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)CCO1 ZINC001448882092 1066966621 /nfs/dbraw/zinc/96/66/21/1066966621.db2.gz ACQRUYWGJCZBRY-VQTJNVASSA-N 0 0 450.348 4.982 20 0 JJADRN CC[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458071201 1066966825 /nfs/dbraw/zinc/96/68/25/1066966825.db2.gz BZXUFILXQYCBBE-DQEYMECFSA-N 0 0 453.546 4.637 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)nc1C(C)C ZINC001458070982 1066966901 /nfs/dbraw/zinc/96/69/01/1066966901.db2.gz XPWCIKWPMSCRDG-UHFFFAOYSA-N 0 0 450.923 4.982 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001545705919 1066967073 /nfs/dbraw/zinc/96/70/73/1066967073.db2.gz IVHDVBQBMVYULF-BHDDXSALSA-N 0 0 453.631 4.548 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001545705921 1066967224 /nfs/dbraw/zinc/96/72/24/1066967224.db2.gz IVHDVBQBMVYULF-FKBYEOEOSA-N 0 0 453.631 4.548 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c1 ZINC001458072674 1066967228 /nfs/dbraw/zinc/96/72/28/1066967228.db2.gz XURFOGRCQUYAFO-UHFFFAOYSA-N 0 0 458.990 4.514 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001458071531 1066967253 /nfs/dbraw/zinc/96/72/53/1066967253.db2.gz CBTMLLRUYOEROB-NOZRDPDXSA-N 0 0 457.534 4.580 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001545706229 1066967462 /nfs/dbraw/zinc/96/74/62/1066967462.db2.gz OBUHPSOQNVXDQS-HXUWFJFHSA-N 0 0 462.642 4.769 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C)CC1 ZINC001545706177 1066967608 /nfs/dbraw/zinc/96/76/08/1066967608.db2.gz NIIGCWGTELDRBW-HXUWFJFHSA-N 0 0 453.631 4.616 20 0 JJADRN Cc1cccc(OCCCNC(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)c1C ZINC001448890952 1066967665 /nfs/dbraw/zinc/96/76/65/1066967665.db2.gz UNQBRMPZPKKAOH-UHFFFAOYSA-N 0 0 456.583 4.748 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CCSC2)C1 ZINC001545706450 1066967969 /nfs/dbraw/zinc/96/79/69/1066967969.db2.gz RSARBDJPTVXATP-IDISGSTGSA-N 0 0 499.725 4.927 20 0 JJADRN C[C@@H](O)C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001448895364 1066968045 /nfs/dbraw/zinc/96/80/45/1066968045.db2.gz PNLCAHYDODXURH-VQIMIIECSA-N 0 0 458.484 4.719 20 0 JJADRN CCCC[C@](C)(NC(=O)COCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001448899034 1066968289 /nfs/dbraw/zinc/96/82/89/1066968289.db2.gz GFGGVGXJPQEQKR-NRFANRHFSA-N 0 0 457.409 4.512 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448902566 1066968455 /nfs/dbraw/zinc/96/84/55/1066968455.db2.gz JGDOXLUZUSYSEQ-LEWJYISDSA-N 0 0 452.352 4.660 20 0 JJADRN COc1ccc(-c2nnc(Sc3ncc(C=O)cn3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC001458078091 1066968354 /nfs/dbraw/zinc/96/83/54/1066968354.db2.gz AFCALZHFQSNPCE-UHFFFAOYSA-N 0 0 457.437 4.715 20 0 JJADRN CCOC(=O)CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001458077986 1066968526 /nfs/dbraw/zinc/96/85/26/1066968526.db2.gz ZSNZISXIBCHYJH-AWEZNQCLSA-N 0 0 452.382 4.910 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001448901887 1066968538 /nfs/dbraw/zinc/96/85/38/1066968538.db2.gz DJQCAXZPRIALGO-NEWSRXKRSA-N 0 0 455.382 4.656 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001448909361 1066968880 /nfs/dbraw/zinc/96/88/80/1066968880.db2.gz OEQSAZAGDDTGNM-UYAOXDASSA-N 0 0 454.571 4.614 20 0 JJADRN COc1cc(C(F)(F)F)nc(Sc2nnc(COc3ccccc3)n2CCC(C)C)n1 ZINC001458078588 1066968787 /nfs/dbraw/zinc/96/87/87/1066968787.db2.gz JHAJQNYHYZSDFJ-UHFFFAOYSA-N 0 0 453.490 4.872 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001545708243 1066969049 /nfs/dbraw/zinc/96/90/49/1066969049.db2.gz FQYGGZFTUSHQSQ-OALUTQOASA-N 0 0 473.687 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 ZINC001448910395 1066969153 /nfs/dbraw/zinc/96/91/53/1066969153.db2.gz RCABFDATQUGRBC-UHFFFAOYSA-N 0 0 456.383 4.985 20 0 JJADRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC001458079007 1066969401 /nfs/dbraw/zinc/96/94/01/1066969401.db2.gz DFZDZMFEBHWERK-UHFFFAOYSA-N 0 0 452.383 4.747 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cccnc2OCC(F)F)cc1Br ZINC001458079732 1066969658 /nfs/dbraw/zinc/96/96/58/1066969658.db2.gz INILRUDDJUUISJ-UHFFFAOYSA-N 0 0 450.077 4.811 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001545709335 1066969689 /nfs/dbraw/zinc/96/96/89/1066969689.db2.gz ZVIFCIRPWQUUPW-JWMZNBFRSA-N 0 0 497.684 4.852 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001545710615 1066970141 /nfs/dbraw/zinc/97/01/41/1066970141.db2.gz DNNDABAUTHQNOZ-ZKMPZPQNSA-N 0 0 494.728 4.683 20 0 JJADRN CCc1nnc(N2CCC[C@H]2c2ccc(COC)o2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001546510490 1066970199 /nfs/dbraw/zinc/97/01/99/1066970199.db2.gz GZYFZAVVOUZGOA-IBGZPJMESA-N 0 0 464.488 4.997 20 0 JJADRN O=C(c1ncc(-c2cc(Cl)cc(Cl)c2)s1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001545710250 1066970244 /nfs/dbraw/zinc/97/02/44/1066970244.db2.gz WIKGUZLSPQUJPF-UHFFFAOYSA-N 0 0 459.420 4.690 20 0 JJADRN CCOC(=O)c1nccc(Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)n1 ZINC001458084133 1066970463 /nfs/dbraw/zinc/97/04/63/1066970463.db2.gz LBYLPTRPQZJPFA-UHFFFAOYSA-N 0 0 455.902 4.845 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)CC2=O)cc1 ZINC001545715961 1066970539 /nfs/dbraw/zinc/97/05/39/1066970539.db2.gz CEQWCRWIMJYHFQ-NVQXNPDNSA-N 0 0 458.558 4.743 20 0 JJADRN Cc1cc([C@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C2CC2)ccc1F ZINC001458086455 1066970529 /nfs/dbraw/zinc/97/05/29/1066970529.db2.gz XEMJOMAFZUQNDG-OAQYLSRUSA-N 0 0 452.979 4.698 20 0 JJADRN FC(F)(F)Oc1ccccc1CNc1ncnc2cc(I)sc21 ZINC001458083813 1066970580 /nfs/dbraw/zinc/97/05/80/1066970580.db2.gz WXILNQWSHQNQKZ-UHFFFAOYSA-N 0 0 451.211 4.807 20 0 JJADRN C[C@@H]1CN(CCN(C)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927629 1066970987 /nfs/dbraw/zinc/97/09/87/1066970987.db2.gz DJAZDOITDNEKJI-JKSBSHDWSA-N 0 0 451.394 4.681 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC001458089488 1066971336 /nfs/dbraw/zinc/97/13/36/1066971336.db2.gz RLFPXLJHYBQNTE-MRXNPFEDSA-N 0 0 452.339 4.771 20 0 JJADRN CS(=O)(=O)C[C@@H](C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001448930065 1066971357 /nfs/dbraw/zinc/97/13/57/1066971357.db2.gz IONNGDXKNRRJSM-RTWAWAEBSA-N 0 0 453.526 4.978 20 0 JJADRN CCOc1ccc(-n2c(Sc3cc(C)nc(CO)n3)nnc2-c2ccccc2Cl)cc1 ZINC001458090014 1066971434 /nfs/dbraw/zinc/97/14/34/1066971434.db2.gz RHWQKKVXOUKTFS-UHFFFAOYSA-N 0 0 453.955 4.728 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)CC1 ZINC001545716671 1066971498 /nfs/dbraw/zinc/97/14/98/1066971498.db2.gz WPADRRUVFZEHNG-YADARESESA-N 0 0 454.636 4.529 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)cc2)c(C)c1Cl ZINC001448935846 1066971817 /nfs/dbraw/zinc/97/18/17/1066971817.db2.gz KSCIZKIJZDCKNP-KRWDZBQOSA-N 0 0 453.848 4.505 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)[C@@H](C)NC(=O)C3CCCCC3)CC2)n1 ZINC001448935243 1066971851 /nfs/dbraw/zinc/97/18/51/1066971851.db2.gz PIODMMIWFXAOCA-QGZVFWFLSA-N 0 0 455.624 4.610 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC001546010730 1066972572 /nfs/dbraw/zinc/97/25/72/1066972572.db2.gz QRZJXQMPBCZKRV-WOJBJXKFSA-N 0 0 455.628 4.739 20 0 JJADRN CC(=O)c1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)c(C)nc1C ZINC001458093537 1066972636 /nfs/dbraw/zinc/97/26/36/1066972636.db2.gz JXRWWAHYWMZROO-AWEZNQCLSA-N 0 0 455.530 4.826 20 0 JJADRN O=C(NC[C@@H](CCO)c1ccccc1)c1ccccc1OCc1ccc(Br)cc1 ZINC001545718464 1066972600 /nfs/dbraw/zinc/97/26/00/1066972600.db2.gz HVJKRPYZLJTNJE-HXUWFJFHSA-N 0 0 454.364 4.924 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545719571 1066973548 /nfs/dbraw/zinc/97/35/48/1066973548.db2.gz JBGQPPDSQRGWFJ-UYAOXDASSA-N 0 0 453.656 4.678 20 0 JJADRN Cc1csc2nc(CC(=O)N3C[C@@H](C)N(C(=O)OC(C)(C)C)Cc4ccc(F)cc43)cn12 ZINC001458095748 1066973807 /nfs/dbraw/zinc/97/38/07/1066973807.db2.gz PMEAVLFFNHUNGN-CQSZACIVSA-N 0 0 458.559 4.558 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545719787 1066973964 /nfs/dbraw/zinc/97/39/64/1066973964.db2.gz MBSAMHVNVLPVCK-SJORKVTESA-N 0 0 465.545 4.763 20 0 JJADRN Cc1ncc(I)c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC001458095845 1066974006 /nfs/dbraw/zinc/97/40/06/1066974006.db2.gz ICIITXJFBPKTAI-YUMQZZPRSA-N 0 0 453.168 4.711 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H]2CCOC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545719935 1066974085 /nfs/dbraw/zinc/97/40/85/1066974085.db2.gz ORQJPCPFROAHJM-MLDBQTBOSA-N 0 0 483.657 4.691 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2F)C2CCCCC2)CC1 ZINC001458097344 1066974661 /nfs/dbraw/zinc/97/46/61/1066974661.db2.gz LMJNKFCVDIQBCY-UHFFFAOYSA-N 0 0 452.570 4.805 20 0 JJADRN Cc1cc(C)c2cc(C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cn3)sc2n1 ZINC001448977561 1066974931 /nfs/dbraw/zinc/97/49/31/1066974931.db2.gz UZBQSSJHMQMAGE-UHFFFAOYSA-N 0 0 452.561 4.502 20 0 JJADRN Cc1ccc(-c2cccnc2)cc1NC(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001448974959 1066974958 /nfs/dbraw/zinc/97/49/58/1066974958.db2.gz QYCRAOVBMDKBRZ-RUZDIDTESA-N 0 0 450.539 4.542 20 0 JJADRN C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)NC(=O)OC(C)(C)C ZINC001448979752 1066975053 /nfs/dbraw/zinc/97/50/53/1066975053.db2.gz BAKOLFWMDKOONO-INIZCTEOSA-N 0 0 454.958 4.836 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545720576 1066975213 /nfs/dbraw/zinc/97/52/13/1066975213.db2.gz ZESCBNPAACZDLO-CZYKHXBRSA-N 0 0 453.631 4.970 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545720577 1066975261 /nfs/dbraw/zinc/97/52/61/1066975261.db2.gz ZESCBNPAACZDLO-FNAHDJPLSA-N 0 0 453.631 4.970 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@@H]2CCSC2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545720487 1066975305 /nfs/dbraw/zinc/97/53/05/1066975305.db2.gz XTZZALSUGVVOFR-UXHICEINSA-N 0 0 458.031 4.889 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545720521 1066975322 /nfs/dbraw/zinc/97/53/22/1066975322.db2.gz YJCMUYHCVPXADF-XZOQPEGZSA-N 0 0 481.641 4.612 20 0 JJADRN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n(-c2ccccc2)n1 ZINC001458101489 1066975826 /nfs/dbraw/zinc/97/58/26/1066975826.db2.gz FGYFFGDLIAJPDV-FOIQADDNSA-N 0 0 454.368 4.557 20 0 JJADRN COC(=O)[C@@H](CNC(=O)CCCSc1ccc(Br)cc1)c1ccc(F)cc1 ZINC001448992664 1066975817 /nfs/dbraw/zinc/97/58/17/1066975817.db2.gz NUNWQISRJGYRSP-SFHVURJKSA-N 0 0 454.361 4.534 20 0 JJADRN O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001448990498 1066975834 /nfs/dbraw/zinc/97/58/34/1066975834.db2.gz LIPNDKBQDRARNN-GFCCVEGCSA-N 0 0 452.711 4.802 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545721564 1066976139 /nfs/dbraw/zinc/97/61/39/1066976139.db2.gz BZCDTVNTKIBOBH-XMMPIXPASA-N 0 0 484.652 4.879 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001458102408 1066976261 /nfs/dbraw/zinc/97/62/61/1066976261.db2.gz WXLFQGYAJIOYAJ-UHFFFAOYSA-N 0 0 454.374 4.688 20 0 JJADRN COCCCC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)c1ccccc1 ZINC001449005397 1066976478 /nfs/dbraw/zinc/97/64/78/1066976478.db2.gz ZDKQEDYKFYXXEW-PMACEKPBSA-N 0 0 456.587 4.531 20 0 JJADRN COCCCC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)c1ccccc1 ZINC001449005402 1066976500 /nfs/dbraw/zinc/97/65/00/1066976500.db2.gz ZDKQEDYKFYXXEW-UXHICEINSA-N 0 0 456.587 4.531 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(I)cc2Cl)c(Br)n1 ZINC001458103941 1066976582 /nfs/dbraw/zinc/97/65/82/1066976582.db2.gz XGLPCSXYHNHSRW-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)c1ccc(F)cc1 ZINC001448999653 1066976557 /nfs/dbraw/zinc/97/65/57/1066976557.db2.gz MBDVRRGHYLMOTH-KRWDZBQOSA-N 0 0 450.894 4.513 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)c1ccc(F)cc1 ZINC001448999655 1066976646 /nfs/dbraw/zinc/97/66/46/1066976646.db2.gz MBDVRRGHYLMOTH-QGZVFWFLSA-N 0 0 450.894 4.513 20 0 JJADRN C[C@H]1CSCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001449007267 1066976683 /nfs/dbraw/zinc/97/66/83/1066976683.db2.gz GPXXJHSOGDEQJU-CYBMUJFWSA-N 0 0 459.420 4.619 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001545722050 1066976880 /nfs/dbraw/zinc/97/68/80/1066976880.db2.gz MIFOSKQENXBCMZ-LPHOPBHVSA-N 0 0 479.071 4.606 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n(-c2ccccc2)n1 ZINC001458106335 1066977227 /nfs/dbraw/zinc/97/72/27/1066977227.db2.gz QGPMIGLHPZUCSX-INIZCTEOSA-N 0 0 450.489 4.794 20 0 JJADRN C[C@@H](Nc1ccc(Br)c(C(F)(F)F)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001458105851 1066977378 /nfs/dbraw/zinc/97/73/78/1066977378.db2.gz OEFOHGFSLRZKNA-LLVKDONJSA-N 0 0 458.278 4.693 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NC(Cc1ccccc1F)Cc1ccccc1F)c1ccc(C)cc1 ZINC001458105453 1066977421 /nfs/dbraw/zinc/97/74/21/1066977421.db2.gz NCBKGCUGQIEBAM-SANMLTNESA-N 0 0 450.529 4.811 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(CC)c2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545722170 1066977611 /nfs/dbraw/zinc/97/76/11/1066977611.db2.gz PLLNBPMNVQSRMC-HXUWFJFHSA-N 0 0 478.670 4.870 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C(F)(F)F)cc1 ZINC001458106714 1066977662 /nfs/dbraw/zinc/97/76/62/1066977662.db2.gz RUWSOLCTBZSCLF-MDOVXXIYSA-N 0 0 451.441 4.547 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545722259 1066977694 /nfs/dbraw/zinc/97/76/94/1066977694.db2.gz QZQIBRPUWDYXTF-GOSISDBHSA-N 0 0 460.047 4.944 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458107711 1066977791 /nfs/dbraw/zinc/97/77/91/1066977791.db2.gz UDGLEFSYHBEUCN-QVKFZJNVSA-N 0 0 450.348 4.952 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCOC2(CCSCC2)C1 ZINC001458108086 1066977802 /nfs/dbraw/zinc/97/78/02/1066977802.db2.gz CKIVVEQFXMHZFX-AWEZNQCLSA-N 0 0 457.436 4.664 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458107955 1066977853 /nfs/dbraw/zinc/97/78/53/1066977853.db2.gz SNIXWVGUXSZQEO-YWZLYKJASA-N 0 0 452.473 4.554 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccc(Br)s2)n1CCCNC(C)=O)c1ccccc1 ZINC001545722517 1066978055 /nfs/dbraw/zinc/97/80/55/1066978055.db2.gz VYDLBHNOMKKTBT-IBGZPJMESA-N 0 0 490.471 4.807 20 0 JJADRN C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458109065 1066978256 /nfs/dbraw/zinc/97/82/56/1066978256.db2.gz VIHFTZSODMDARB-XDHUDOTRSA-N 0 0 456.970 4.522 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccc(C)s2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545722398 1066978255 /nfs/dbraw/zinc/97/82/55/1066978255.db2.gz TWIXVSRBWOGEME-QHCPKHFHSA-N 0 0 461.635 4.882 20 0 JJADRN O=C(CCn1sc2ccccc2c1=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001449034540 1066978227 /nfs/dbraw/zinc/97/82/27/1066978227.db2.gz ZCAXNIXWABSGJZ-OAHLLOKOSA-N 0 0 450.391 4.545 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545722486 1066978301 /nfs/dbraw/zinc/97/83/01/1066978301.db2.gz VLCVEGYPSYUKIY-LJQANCHMSA-N 0 0 464.643 4.616 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)CN(C(=O)c2ccccc2)c2ccccc2)n(-c2ccccc2)n1 ZINC001458110166 1066978489 /nfs/dbraw/zinc/97/84/89/1066978489.db2.gz YAUCIIZTFCBBTJ-NRFANRHFSA-N 0 0 452.558 4.575 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3ccc(CCS(C)(=O)=O)cc3)c(-c3ccccc3)n2)cc1 ZINC001458109589 1066978572 /nfs/dbraw/zinc/97/85/72/1066978572.db2.gz BKLKROIZBBEZHG-UHFFFAOYSA-N 0 0 459.571 4.687 20 0 JJADRN COc1ccc2cc(C(=O)N[C@@H]3CCCN(c4ccc(Cl)cc4Cl)C3=O)c(C)nc2c1 ZINC001449038858 1066978711 /nfs/dbraw/zinc/97/87/11/1066978711.db2.gz AZDMKPKFOSLCIF-LJQANCHMSA-N 0 0 458.345 4.784 20 0 JJADRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2Cc3ccccc3C(F)(F)C2)C1 ZINC001458110040 1066978689 /nfs/dbraw/zinc/97/86/89/1066978689.db2.gz JLIAFCIPRPRQBI-INIZCTEOSA-N 0 0 453.316 4.980 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](C)SC)c1ccccc1 ZINC001545723536 1066979189 /nfs/dbraw/zinc/97/91/89/1066979189.db2.gz BBJLFXWESMOTQN-NVXWUHKLSA-N 0 0 468.652 4.918 20 0 JJADRN COc1ccc(Br)c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC001449050007 1066979920 /nfs/dbraw/zinc/97/99/20/1066979920.db2.gz YWANRQDYKLANHN-UHFFFAOYSA-N 0 0 458.274 4.600 20 0 JJADRN CCn1c(CNC(=O)CNc2cccc(C(F)(F)F)c2)nc2cc(Br)ccc21 ZINC001449051212 1066979982 /nfs/dbraw/zinc/97/99/82/1066979982.db2.gz UPZANWVXJMLLCP-UHFFFAOYSA-N 0 0 455.278 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001458115820 1066980307 /nfs/dbraw/zinc/98/03/07/1066980307.db2.gz CFQJIRDSUSMFOT-MZKRTTBSSA-N 0 0 450.583 4.822 20 0 JJADRN CCCOc1cccc(CCNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC001458115847 1066980329 /nfs/dbraw/zinc/98/03/29/1066980329.db2.gz PPDRGUIRAKKQBM-NHCUHLMSSA-N 0 0 452.595 4.616 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1C[C@@H](C)CN1CCOCC1)c1ccccc1 ZINC001545724218 1066980414 /nfs/dbraw/zinc/98/04/14/1066980414.db2.gz NMONFAMXWFATFI-WIOPSUGQSA-N 0 0 453.675 4.805 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)CNc1cccc(C(F)(F)F)c1 ZINC001449057129 1066980459 /nfs/dbraw/zinc/98/04/59/1066980459.db2.gz FVBWAEASGOCUFC-UHFFFAOYSA-N 0 0 451.308 4.617 20 0 JJADRN CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCC1CCC(OC)CC1)c1ccccc1 ZINC001545724160 1066980561 /nfs/dbraw/zinc/98/05/61/1066980561.db2.gz MQSHZJMDIQTAKU-PWYHOHRJSA-N 0 0 481.685 4.720 20 0 JJADRN CCCOc1cccc(CCNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 ZINC001458118159 1066980835 /nfs/dbraw/zinc/98/08/35/1066980835.db2.gz WTKAXGVTEAVCOC-UHFFFAOYSA-N 0 0 456.542 4.865 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001449062332 1066980900 /nfs/dbraw/zinc/98/09/00/1066980900.db2.gz GOFFWZPGLNRRGS-RTWAWAEBSA-N 0 0 450.608 4.865 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001449072676 1066981190 /nfs/dbraw/zinc/98/11/90/1066981190.db2.gz GYVMXDOTBBNIPW-RBUKOAKNSA-N 0 0 455.640 4.518 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@H]1CCCCO1)c1ccccc1 ZINC001545724539 1066981306 /nfs/dbraw/zinc/98/13/06/1066981306.db2.gz SHGWQDAPQDGVKO-DHIUTWEWSA-N 0 0 456.631 4.615 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)c3ccc(F)cc3F)sc2C1 ZINC001449076609 1066981553 /nfs/dbraw/zinc/98/15/53/1066981553.db2.gz FEDVFFYORQSKRN-ZDUSSCGKSA-N 0 0 451.539 4.720 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(C)(C)c2ccccc2Br)cs1 ZINC001458121685 1066981576 /nfs/dbraw/zinc/98/15/76/1066981576.db2.gz GUXHRIADCWRUFF-UHFFFAOYSA-N 0 0 452.418 4.527 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(C)on2)n1CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC001545724763 1066981707 /nfs/dbraw/zinc/98/17/07/1066981707.db2.gz WPWCMQKUXSBOIZ-HSZRJFAPSA-N 0 0 464.614 4.544 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC(C)(C)c3ccccc3Br)C2)cc1 ZINC001458122734 1066981869 /nfs/dbraw/zinc/98/18/69/1066981869.db2.gz JQDZOLKMSBMIOJ-IBGZPJMESA-N 0 0 457.412 4.704 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc4c([nH]c(=O)cc4C(F)(F)F)o3)n2)cc1F ZINC001545724978 1066981857 /nfs/dbraw/zinc/98/18/57/1066981857.db2.gz BKVOSFKPIDTPGZ-VIFPVBQESA-N 0 0 450.348 4.541 20 0 JJADRN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001449090865 1066981817 /nfs/dbraw/zinc/98/18/17/1066981817.db2.gz TURSPHNTTYSOGJ-JSGCOSHPSA-N 0 0 451.589 4.784 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)n1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001458123046 1066982022 /nfs/dbraw/zinc/98/20/22/1066982022.db2.gz GWXXINICUJNSSD-LJQANCHMSA-N 0 0 453.384 4.905 20 0 JJADRN NC(=O)c1cc(Oc2cccc(OC(=O)CCCc3ccc(Br)cc3)c2)ccn1 ZINC001458123494 1066982076 /nfs/dbraw/zinc/98/20/76/1066982076.db2.gz ALERREOFCYIWDN-UHFFFAOYSA-N 0 0 455.308 4.664 20 0 JJADRN COCc1nc2sc(C(=O)Nc3ccc4nc(C(F)F)sc4c3)c(C)c2c(OC)n1 ZINC001449096812 1066982019 /nfs/dbraw/zinc/98/20/19/1066982019.db2.gz FVJOJSSAFZBGMU-UHFFFAOYSA-N 0 0 450.492 4.954 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC001449088173 1066982077 /nfs/dbraw/zinc/98/20/77/1066982077.db2.gz PZUDCMJDZYKKHH-ZDUSSCGKSA-N 0 0 450.992 4.863 20 0 JJADRN CN(CCC(N)=O)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 ZINC001449105019 1066982870 /nfs/dbraw/zinc/98/28/70/1066982870.db2.gz HZIVQPRVYIHQLM-NTCAYCPXSA-N 0 0 454.357 4.976 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCc2cccs2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545725914 1066982941 /nfs/dbraw/zinc/98/29/41/1066982941.db2.gz GIOBRNBCIFGADM-HSZRJFAPSA-N 0 0 465.667 4.963 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC001449113219 1066983333 /nfs/dbraw/zinc/98/33/33/1066983333.db2.gz ZIBZMLKIQBWGIF-HXUWFJFHSA-N 0 0 459.015 4.842 20 0 JJADRN O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001458126744 1066983381 /nfs/dbraw/zinc/98/33/81/1066983381.db2.gz WXIGWMBYXFRPEA-LJQANCHMSA-N 0 0 453.384 4.905 20 0 JJADRN NC(=O)c1cc(Oc2cccc(OC(=O)c3c(F)ccc(SCC4CC4)c3F)c2)ccn1 ZINC001458126653 1066983516 /nfs/dbraw/zinc/98/35/16/1066983516.db2.gz IWTBIZXINQWHDF-UHFFFAOYSA-N 0 0 456.470 4.972 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)NC(C)(C)COc2ncccc2C(F)(F)F)s1 ZINC001458127061 1066983614 /nfs/dbraw/zinc/98/36/14/1066983614.db2.gz ZFUYHEVHJARMPQ-UHFFFAOYSA-N 0 0 454.474 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)C(C)(C)C3CCC(O)CC3)s2)CC1 ZINC001449118685 1066983743 /nfs/dbraw/zinc/98/37/43/1066983743.db2.gz KYYFFCGHCOZHOL-UHFFFAOYSA-N 0 0 451.633 4.773 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC2CC2)n1CCn1cc(Br)cn1)c1ccccc1 ZINC001545726740 1066983760 /nfs/dbraw/zinc/98/37/60/1066983760.db2.gz WMCVQOSLKPPBDM-FQEVSTJZSA-N 0 0 457.420 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)CCc3nc4ccccc4o3)s2)CC1 ZINC001449115557 1066983785 /nfs/dbraw/zinc/98/37/85/1066983785.db2.gz HAHWRPZQEIDKKV-UHFFFAOYSA-N 0 0 456.568 4.970 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC001458128496 1066983930 /nfs/dbraw/zinc/98/39/30/1066983930.db2.gz HDVWNBRTKKTFAB-CYBMUJFWSA-N 0 0 453.536 4.734 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCc2ccccn2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545726760 1066983929 /nfs/dbraw/zinc/98/39/29/1066983929.db2.gz WTPBEGRWHAZRDV-AREMUKBSSA-N 0 0 474.653 4.543 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c1 ZINC001449123787 1066984158 /nfs/dbraw/zinc/98/41/58/1066984158.db2.gz CAHQSLZPOUZYJS-QHCPKHFHSA-N 0 0 457.615 4.612 20 0 JJADRN Cc1oc(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001458132577 1066984712 /nfs/dbraw/zinc/98/47/12/1066984712.db2.gz GNBHWBRCPMVCGI-IBGZPJMESA-N 0 0 458.502 4.518 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC001458131558 1066984739 /nfs/dbraw/zinc/98/47/39/1066984739.db2.gz ARKLSTDHDJFDSQ-UHFFFAOYSA-N 0 0 457.465 4.559 20 0 JJADRN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc(Br)ccc1F ZINC001458132465 1066984781 /nfs/dbraw/zinc/98/47/81/1066984781.db2.gz FCYYZFZCFPSXOX-INIZCTEOSA-N 0 0 452.324 4.802 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC001545727450 1066984809 /nfs/dbraw/zinc/98/48/09/1066984809.db2.gz OXELFGXKGRELBH-IBGZPJMESA-N 0 0 459.468 4.810 20 0 JJADRN Cc1cccc(-c2cnc(NC(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)s2)c1 ZINC001449137612 1066984942 /nfs/dbraw/zinc/98/49/42/1066984942.db2.gz MGBQDGSAHUQGFS-MRXNPFEDSA-N 0 0 453.568 4.818 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001449143697 1066985063 /nfs/dbraw/zinc/98/50/63/1066985063.db2.gz AFTHFXCPXOXEQP-IBGZPJMESA-N 0 0 455.356 4.515 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCc3ccccc3)n2CCCc2ccnc(C(C)(C)C)n2)CCO1 ZINC001546097360 1066985036 /nfs/dbraw/zinc/98/50/36/1066985036.db2.gz JCRSLNMWXVBDHC-NDEPHWFRSA-N 0 0 476.669 4.789 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545728351 1066985466 /nfs/dbraw/zinc/98/54/66/1066985466.db2.gz KLKQIRMMGWHURN-LEWJYISDSA-N 0 0 486.707 4.873 20 0 JJADRN CC[C@@H](c1nnc(N(Cc2cccs2)C2CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545728234 1066985574 /nfs/dbraw/zinc/98/55/74/1066985574.db2.gz ICCOYSAROLOERZ-OAQYLSRUSA-N 0 0 451.640 4.823 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cccc(C3OCCO3)c2)C1 ZINC001449158310 1066985783 /nfs/dbraw/zinc/98/57/83/1066985783.db2.gz WTYGKJPNOFSTSC-HXUWFJFHSA-N 0 0 459.384 4.510 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC1(CC(C)C)CC1)c1ccccc1 ZINC001545728623 1066985878 /nfs/dbraw/zinc/98/58/78/1066985878.db2.gz OQJSSPPGPNJVOQ-FCHUYYIVSA-N 0 0 458.672 4.660 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C(C)C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545728502 1066985920 /nfs/dbraw/zinc/98/59/20/1066985920.db2.gz MLXZYVNJDSBOAV-HXUWFJFHSA-N 0 0 450.574 4.886 20 0 JJADRN CC[C@@H](c1nnc(N(CC)Cc2cnn(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545728451 1066985998 /nfs/dbraw/zinc/98/59/98/1066985998.db2.gz LORGFDBNQBOKBG-MZLICYQSSA-N 0 0 450.631 4.784 20 0 JJADRN C[C@H](COc1ccc(F)cc1F)Nc1nc(C(F)(F)F)ccc1I ZINC001458139472 1066986004 /nfs/dbraw/zinc/98/60/04/1066986004.db2.gz XOZBMQMTOWGENI-MRVPVSSYSA-N 0 0 458.168 4.863 20 0 JJADRN COC(=O)c1cnc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C(F)(F)F ZINC001458138769 1066986025 /nfs/dbraw/zinc/98/60/25/1066986025.db2.gz RSRKPLDKEVTGCM-UHFFFAOYSA-N 0 0 453.424 4.747 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC001458138095 1066986060 /nfs/dbraw/zinc/98/60/60/1066986060.db2.gz DTVNXPHOPVBCHV-SFHVURJKSA-N 0 0 457.571 4.741 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@H](C)C2CCC2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728700 1066986353 /nfs/dbraw/zinc/98/63/53/1066986353.db2.gz PUAVQHDFVCXMHF-UEVCKROQSA-N 0 0 458.672 4.802 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)[C@H](C)c3ccccn3)c2c1C ZINC001458141137 1066986430 /nfs/dbraw/zinc/98/64/30/1066986430.db2.gz KPSZGNXGDYDGCI-QGZVFWFLSA-N 0 0 453.612 4.755 20 0 JJADRN COc1cc(C)cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1O ZINC001546011852 1066986584 /nfs/dbraw/zinc/98/65/84/1066986584.db2.gz VEQXXFDUZAHQGC-DEOSSOPVSA-N 0 0 450.966 4.910 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC001449165922 1066986628 /nfs/dbraw/zinc/98/66/28/1066986628.db2.gz OSXILWHTEXNVCO-UHFFFAOYSA-N 0 0 459.877 4.501 20 0 JJADRN O=C(COc1ccc(F)cc1Br)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001458142311 1066986649 /nfs/dbraw/zinc/98/66/49/1066986649.db2.gz BNVATFCBSXKMFA-UHFFFAOYSA-N 0 0 458.209 4.810 20 0 JJADRN CC[C@@H](c1nnc(N(CC)C[C@H]2CCCO2)n1CC(F)(F)Br)c1ccccc1 ZINC001545728944 1066986674 /nfs/dbraw/zinc/98/66/74/1066986674.db2.gz UKFDQRAENDSBAZ-IAGOWNOFSA-N 0 0 457.363 4.813 20 0 JJADRN CC[C@@H](c1nnc(N(CCC(C)C)C2CC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728902 1066986763 /nfs/dbraw/zinc/98/67/63/1066986763.db2.gz TVNWQIJSQFABDX-XZOQPEGZSA-N 0 0 458.672 4.802 20 0 JJADRN CC[C@H](c1nnc(N(CC)Cc2cccs2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545729290 1066987092 /nfs/dbraw/zinc/98/70/92/1066987092.db2.gz ZMCZIQLOZXUYHK-QFIPXVFZSA-N 0 0 454.640 4.840 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 ZINC001545730255 1066987219 /nfs/dbraw/zinc/98/72/19/1066987219.db2.gz VTWMFALUSBQROU-UZLBHIALSA-N 0 0 450.539 4.742 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCC=CO1)c1ccccc1 ZINC001545730452 1066987417 /nfs/dbraw/zinc/98/74/17/1066987417.db2.gz AGJFBEFAFPBKTR-NBYUQASBSA-N 0 0 450.505 4.669 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC001545730446 1066987570 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DMHRWDDJXZCGJL-UHFFFAOYSA-N 0 0 456.587 4.603 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CCNC(=O)C(C)C)c1ccccc1 ZINC001545730934 1066989300 /nfs/dbraw/zinc/98/93/00/1066989300.db2.gz IAODVJMKCWSLSE-PTUXOGIPSA-N 0 0 481.666 4.620 20 0 JJADRN C[C@H](C(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)[C@@H]1OCCc2sccc21 ZINC001449206710 1066989390 /nfs/dbraw/zinc/98/93/90/1066989390.db2.gz BSXBELFJWNQARZ-UWJYYQICSA-N 0 0 450.645 4.932 20 0 JJADRN CNc1cc(I)ccc1C(=O)NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC001449209971 1066989790 /nfs/dbraw/zinc/98/97/90/1066989790.db2.gz AOLLLASLWVWZTO-CQSZACIVSA-N 0 0 452.336 4.654 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545731278 1066990070 /nfs/dbraw/zinc/99/00/70/1066990070.db2.gz MHXKHAMGGWFJIF-KCZVDYSFSA-N 0 0 471.646 4.691 20 0 JJADRN C[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1c(F)cncc1F ZINC001449217453 1066990077 /nfs/dbraw/zinc/99/00/77/1066990077.db2.gz VRVUJPLCIIYPIK-CYBMUJFWSA-N 0 0 458.290 4.945 20 0 JJADRN 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4.606 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545733762 1066995897 /nfs/dbraw/zinc/99/58/97/1066995897.db2.gz HMSRWIUATAAIBB-AREMUKBSSA-N 0 0 488.680 4.849 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545733837 1066996012 /nfs/dbraw/zinc/99/60/12/1066996012.db2.gz JAOPBZTVAQINKM-KAGYGMCKSA-N 0 0 452.624 4.760 20 0 JJADRN COc1cccc(C2(CNc3nc(SC)ncc3I)CCCC2)c1 ZINC001458173654 1066996229 /nfs/dbraw/zinc/99/62/29/1066996229.db2.gz SUXKKKCYUGBPGQ-UHFFFAOYSA-N 0 0 455.365 4.736 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)c1 ZINC001458173691 1066996241 /nfs/dbraw/zinc/99/62/41/1066996241.db2.gz JZDRWVPRHSCNOV-KSMMKXTCSA-N 0 0 451.445 4.574 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545733889 1066996454 /nfs/dbraw/zinc/99/64/54/1066996454.db2.gz JYQLELCSHQLMJE-FUHWJXTLSA-N 0 0 478.540 4.948 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001458175094 1066996766 /nfs/dbraw/zinc/99/67/66/1066996766.db2.gz QEFALCWGTPPKFW-UHFFFAOYSA-N 0 0 455.599 4.987 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)Oc1cccc(F)c1I ZINC001458175513 1066997026 /nfs/dbraw/zinc/99/70/26/1066997026.db2.gz OINNHJHCJDSXLH-UHFFFAOYSA-N 0 0 454.157 4.520 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545734323 1066997152 /nfs/dbraw/zinc/99/71/52/1066997152.db2.gz QRDDQKQRZBKZFE-ONOGEGBSSA-N 0 0 480.575 4.775 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545734414 1066997193 /nfs/dbraw/zinc/99/71/93/1066997193.db2.gz SBUFFHJDPBCEKX-NRFANRHFSA-N 0 0 461.601 4.949 20 0 JJADRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001458175735 1066997133 /nfs/dbraw/zinc/99/71/33/1066997133.db2.gz YOVGBOQVOUHTPA-SFHVURJKSA-N 0 0 453.380 4.714 20 0 JJADRN Cc1ccc(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c(F)c1F ZINC001458175727 1066997147 /nfs/dbraw/zinc/99/71/47/1066997147.db2.gz YIGVNVMJXXIXKP-UHFFFAOYSA-N 0 0 450.529 4.837 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001458175730 1066997185 /nfs/dbraw/zinc/99/71/85/1066997185.db2.gz YJNCSTCUNHPWKX-UTCJRWHESA-N 0 0 459.331 4.887 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001546013026 1066997469 /nfs/dbraw/zinc/99/74/69/1066997469.db2.gz SPQQNKYDHZEKQQ-QFIPXVFZSA-N 0 0 492.668 4.603 20 0 JJADRN O=C(c1cccc(-c2cscn2)c1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001449307465 1066997495 /nfs/dbraw/zinc/99/74/95/1066997495.db2.gz DNAGQHXOKSTANH-UHFFFAOYSA-N 0 0 457.353 4.705 20 0 JJADRN O=C(Oc1cccc(F)c1I)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001458177339 1066997828 /nfs/dbraw/zinc/99/78/28/1066997828.db2.gz YFQGNEXOJNDREM-UHFFFAOYSA-N 0 0 451.022 4.604 20 0 JJADRN COCCCOc1cccc(C(=O)Oc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1C ZINC001458177411 1066997918 /nfs/dbraw/zinc/99/79/18/1066997918.db2.gz ZKJMCSMQLQWANJ-UHFFFAOYSA-N 0 0 455.551 4.923 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001458178142 1066997956 /nfs/dbraw/zinc/99/79/56/1066997956.db2.gz XTPTWTYLPQQXDG-WIYYLYMNSA-N 0 0 458.530 4.819 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCSCC(F)(F)F)c1ccccc1 ZINC001545734670 1066998152 /nfs/dbraw/zinc/99/81/52/1066998152.db2.gz XJTFCEFWGZAUKG-BMHONFFRSA-N 0 0 468.589 4.713 20 0 JJADRN CC(C)CN(CC(C)(C)C)C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC001545734953 1066998524 /nfs/dbraw/zinc/99/85/24/1066998524.db2.gz FVWHTXCLFSNDQJ-RTBURBONSA-N 0 0 458.672 4.866 20 0 JJADRN O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001458180105 1066998624 /nfs/dbraw/zinc/99/86/24/1066998624.db2.gz HICYDMDWOZCKAL-UHFFFAOYSA-N 0 0 459.468 4.517 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001458182815 1066998923 /nfs/dbraw/zinc/99/89/23/1066998923.db2.gz BLQWDOJPCZNOEA-UHFFFAOYSA-N 0 0 450.008 4.989 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)c(C)cc3Cl)CC2)c(C)c1 ZINC001458183124 1066999018 /nfs/dbraw/zinc/99/90/18/1066999018.db2.gz QGEJNQQJPHKPGU-UHFFFAOYSA-N 0 0 455.407 4.958 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCCO[C@@H]1CCOC1)c1ccccc1 ZINC001545735956 1066999512 /nfs/dbraw/zinc/99/95/12/1066999512.db2.gz JALSRYJXVWRKHO-RTWAWAEBSA-N 0 0 489.458 4.895 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001449325845 1066999638 /nfs/dbraw/zinc/99/96/38/1066999638.db2.gz XUVHTAIZNNCHQC-HUUCEWRRSA-N 0 0 471.461 4.942 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545736075 1066999716 /nfs/dbraw/zinc/99/97/16/1066999716.db2.gz KOMVHUXKMXYPIJ-OHUGHZGNSA-N 0 0 457.688 4.560 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C)c1 ZINC001458185094 1066999736 /nfs/dbraw/zinc/99/97/36/1066999736.db2.gz RDOMXJIDJWPYOL-LJQANCHMSA-N 0 0 451.420 4.874 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C)c1 ZINC001458185091 1066999826 /nfs/dbraw/zinc/99/98/26/1066999826.db2.gz RDOMXJIDJWPYOL-IBGZPJMESA-N 0 0 451.420 4.874 20 0 JJADRN CC(C)(C(=O)N1CCO[C@]2(CCCOC2)C1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001449327854 1066999992 /nfs/dbraw/zinc/99/99/92/1066999992.db2.gz PDJKVDBEOUOKOE-OAQYLSRUSA-N 0 0 455.407 4.803 20 0 JJADRN Cc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2=O)cc1 ZINC001449330540 1067000241 /nfs/dbraw/zinc/00/02/41/1067000241.db2.gz NDUIZRXMPYKHKU-UHFFFAOYSA-N 0 0 459.493 4.555 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](OC)C1CC1)c1ccccc1 ZINC001545736604 1067000520 /nfs/dbraw/zinc/00/05/20/1067000520.db2.gz SODANDYCPMKLRC-OYYPCOLYSA-N 0 0 497.684 4.985 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545736620 1067000558 /nfs/dbraw/zinc/00/05/58/1067000558.db2.gz SURHMWOGEPZTIU-BAGYTPMASA-N 0 0 485.673 4.721 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001458187445 1067000575 /nfs/dbraw/zinc/00/05/75/1067000575.db2.gz CYHLNIJIYQGKTQ-KVKMCETFSA-N 0 0 456.583 4.944 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545736893 1067001026 /nfs/dbraw/zinc/00/10/26/1067001026.db2.gz WZBHMGURFMMFOS-PTUXOGIPSA-N 0 0 493.618 4.956 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ncnc(C(F)(F)F)c1Br ZINC001458192401 1067001100 /nfs/dbraw/zinc/00/11/00/1067001100.db2.gz ZPLOJYTZZWLIFJ-MNOVXSKESA-N 0 0 453.303 4.753 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458194005 1067001443 /nfs/dbraw/zinc/00/14/43/1067001443.db2.gz QVBNBCNONNPWER-VQTJNVASSA-N 0 0 454.533 4.610 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCCn1ccnn1)c1ccccc1 ZINC001545738104 1067001603 /nfs/dbraw/zinc/00/16/03/1067001603.db2.gz BQKZLBTVDMFXGZ-HXUWFJFHSA-N 0 0 461.536 4.671 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1CCCn1ccnn1)c1ccccc1 ZINC001545738103 1067001826 /nfs/dbraw/zinc/00/18/26/1067001826.db2.gz BQKZLBTVDMFXGZ-FQEVSTJZSA-N 0 0 461.536 4.671 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)s1 ZINC001458198449 1067001970 /nfs/dbraw/zinc/00/19/70/1067001970.db2.gz ILKQIDRERAHQOS-UHFFFAOYSA-N 0 0 454.409 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)C(C)(C)C1 ZINC001449349234 1067001984 /nfs/dbraw/zinc/00/19/84/1067001984.db2.gz SHYHEMGZZXRWSE-UXHICEINSA-N 0 0 451.007 4.817 20 0 JJADRN CC[C@@H]1CN(c2ncc(Br)cc2F)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001458204225 1067002435 /nfs/dbraw/zinc/00/24/35/1067002435.db2.gz PUAHGRSCSZXFFC-QZTJIDSGSA-N 0 0 450.352 4.999 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CCCO)CC2)n1C[C@](C)(O)c1ccsc1)c1ccccc1 ZINC001545738369 1067002530 /nfs/dbraw/zinc/00/25/30/1067002530.db2.gz HDPGZQNIYUKHMY-OZXSUGGESA-N 0 0 468.667 4.778 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CCCO)CC2)n1C[C@@](C)(O)c1ccsc1)c1ccccc1 ZINC001545738370 1067002612 /nfs/dbraw/zinc/00/26/12/1067002612.db2.gz HDPGZQNIYUKHMY-ZEQKJWHPSA-N 0 0 468.667 4.778 20 0 JJADRN COCC1(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001449355884 1067002693 /nfs/dbraw/zinc/00/26/93/1067002693.db2.gz JKMQYQKGTJXBMV-UHFFFAOYSA-N 0 0 457.615 4.859 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ncnc2cc(Br)sc21 ZINC001458206085 1067002843 /nfs/dbraw/zinc/00/28/43/1067002843.db2.gz RFEXNNXOLCVPMA-PWSUYJOCSA-N 0 0 457.394 4.626 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738429 1067002959 /nfs/dbraw/zinc/00/29/59/1067002959.db2.gz HYWABWBMIOGIEM-UPVQGACJSA-N 0 0 464.658 4.999 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545738586 1067003020 /nfs/dbraw/zinc/00/30/20/1067003020.db2.gz KQEMQQHOWNJHEP-MQSCRBSSSA-N 0 0 483.657 4.598 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCSCC(C)C)c1ccccc1 ZINC001545738421 1067003076 /nfs/dbraw/zinc/00/30/76/1067003076.db2.gz HUMFVNHGROVMOG-GMAHTHKFSA-N 0 0 452.672 4.937 20 0 JJADRN Cc1nc2c(s1)[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)OC(C)(C)C)CCC2 ZINC001458209129 1067003131 /nfs/dbraw/zinc/00/31/31/1067003131.db2.gz JNLAVDOLBVROHW-WOJBJXKFSA-N 0 0 454.596 4.562 20 0 JJADRN COc1ccc([C@H](Nc2ccnc(Cc3ccccc3)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458207825 1067003206 /nfs/dbraw/zinc/00/32/06/1067003206.db2.gz JGJWCEUEOUSDBE-SANMLTNESA-N 0 0 459.571 4.681 20 0 JJADRN C[C@H]1CN(c2ccnc(CSc3ccccc3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001458209428 1067003444 /nfs/dbraw/zinc/00/34/44/1067003444.db2.gz AZBFYRGEYPMFLT-SFHVURJKSA-N 0 0 453.011 4.702 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738795 1067003524 /nfs/dbraw/zinc/00/35/24/1067003524.db2.gz ONUIPBTWTCITAU-RPWUZVMVSA-N 0 0 464.658 4.994 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545738838 1067003588 /nfs/dbraw/zinc/00/35/88/1067003588.db2.gz PCXNRHQTAXOAID-QFIPXVFZSA-N 0 0 494.709 4.975 20 0 JJADRN CCc1ccc(N2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)CC2)cc1Cl ZINC001449360324 1067003724 /nfs/dbraw/zinc/00/37/24/1067003724.db2.gz FFAHTBJOUBNXCK-UHFFFAOYSA-N 0 0 450.023 4.779 20 0 JJADRN Cc1noc(COc2ccc(C(=O)N(Cc3ccccc3Cl)c3ccc(F)cc3)cn2)n1 ZINC001458211918 1067003840 /nfs/dbraw/zinc/00/38/40/1067003840.db2.gz VFFAPVYSCIJKKS-UHFFFAOYSA-N 0 0 452.873 4.992 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545738850 1067003962 /nfs/dbraw/zinc/00/39/62/1067003962.db2.gz PFHZRRQRZMHGQI-QFIPXVFZSA-N 0 0 480.682 4.734 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc2c(ccnc2Cl)o1)c1cccc(Br)c1 ZINC001458213329 1067004080 /nfs/dbraw/zinc/00/40/80/1067004080.db2.gz IZPYXVRXKIITRQ-CQSZACIVSA-N 0 0 451.704 4.668 20 0 JJADRN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(C)c1Br ZINC001458213223 1067004090 /nfs/dbraw/zinc/00/40/90/1067004090.db2.gz KWZWPRNDUJGWIY-JQHSSLGASA-N 0 0 451.405 4.831 20 0 JJADRN Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1Br ZINC001458213525 1067004572 /nfs/dbraw/zinc/00/45/72/1067004572.db2.gz MPEFKHSKKUXNNS-VDZJLULYSA-N 0 0 451.405 4.831 20 0 JJADRN C[C@@H](CCOc1ccccc1)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449365355 1067004591 /nfs/dbraw/zinc/00/45/91/1067004591.db2.gz KLDYBOSDNWPKTN-IBGZPJMESA-N 0 0 456.384 4.780 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(=O)NC)CC2)n1Cc1nc(C(C)C)cs1)c1ccccc1 ZINC001545739238 1067004689 /nfs/dbraw/zinc/00/46/89/1067004689.db2.gz WIOSVXCUCOXGBQ-OAQYLSRUSA-N 0 0 480.682 4.801 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001449371613 1067005023 /nfs/dbraw/zinc/00/50/23/1067005023.db2.gz NGQDSVJPIABKIK-HKUYNNGSSA-N 0 0 458.521 4.730 20 0 JJADRN Cn1nc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1NC(=O)OC(C)(C)C ZINC001449366426 1067005035 /nfs/dbraw/zinc/00/50/35/1067005035.db2.gz IIZQBOUHDRDLIK-OAHLLOKOSA-N 0 0 452.477 4.806 20 0 JJADRN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(NCC(C)(C)S(C)(=O)=O)c2c1C ZINC001458216366 1067005118 /nfs/dbraw/zinc/00/51/18/1067005118.db2.gz XICQVXKCOVKFEJ-UHFFFAOYSA-N 0 0 455.552 4.812 20 0 JJADRN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1Br ZINC001458216289 1067005202 /nfs/dbraw/zinc/00/52/02/1067005202.db2.gz ZYSPZUYVUNTCDG-DZKIICNBSA-N 0 0 455.368 4.662 20 0 JJADRN CC[C@H](NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC001458216025 1067005239 /nfs/dbraw/zinc/00/52/39/1067005239.db2.gz YHJYQNPLZOSWJU-DEOSSOPVSA-N 0 0 454.567 4.987 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545740589 1067005427 /nfs/dbraw/zinc/00/54/27/1067005427.db2.gz AJFHULIQYLFWBP-HSZRJFAPSA-N 0 0 489.730 4.897 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc3nnc(Br)n3n2)cc1 ZINC001458217335 1067005492 /nfs/dbraw/zinc/00/54/92/1067005492.db2.gz CYYOTTCIRRYJRI-UHFFFAOYSA-N 0 0 458.703 4.609 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1nccs1 ZINC001458216743 1067005509 /nfs/dbraw/zinc/00/55/09/1067005509.db2.gz RFANLOJUQINGPG-XJKSGUPXSA-N 0 0 457.518 4.990 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OCC(C)C)CCO1 ZINC001546098135 1067005551 /nfs/dbraw/zinc/00/55/51/1067005551.db2.gz XVQFRUVFJPJKAP-RUZDIDTESA-N 0 0 469.655 4.722 20 0 JJADRN CCc1c(Br)cc(C(=O)NCCc2ccc3c[nH]nc3c2)cc1Br ZINC001449385978 1067005732 /nfs/dbraw/zinc/00/57/32/1067005732.db2.gz COFZMPVKEWAVCK-UHFFFAOYSA-N 0 0 451.162 4.623 20 0 JJADRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001458218274 1067005845 /nfs/dbraw/zinc/00/58/45/1067005845.db2.gz KISKMLPWIFJTCV-INIZCTEOSA-N 0 0 452.795 4.815 20 0 JJADRN Cc1nc2c(s1)[C@H](NC(=O)c1c(F)ccc(I)c1Cl)CCC2 ZINC001458218895 1067005899 /nfs/dbraw/zinc/00/58/99/1067005899.db2.gz LTVBTWIVIOJZEU-LLVKDONJSA-N 0 0 450.704 4.656 20 0 JJADRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC001449386797 1067006044 /nfs/dbraw/zinc/00/60/44/1067006044.db2.gz IMEIYIKMUUOPBP-UHFFFAOYSA-N 0 0 457.456 4.795 20 0 JJADRN CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 ZINC001458219357 1067006116 /nfs/dbraw/zinc/00/61/16/1067006116.db2.gz FLBVCGIMSDBLRB-ZRKSWWEUSA-N 0 0 450.343 4.909 20 0 JJADRN Cc1cc(-n2cccn2)ccc1COC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001458219221 1067006276 /nfs/dbraw/zinc/00/62/76/1067006276.db2.gz IJWLOEGEYAHLFJ-UHFFFAOYSA-N 0 0 451.324 4.545 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545740765 1067006221 /nfs/dbraw/zinc/00/62/21/1067006221.db2.gz CXTDDAUFPOKFSS-CAOCKLPOSA-N 0 0 481.685 4.622 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001545740815 1067006232 /nfs/dbraw/zinc/00/62/32/1067006232.db2.gz DTDYLOVTZUVCRY-QPPBQGQZSA-N 0 0 457.022 4.672 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC001449397111 1067006234 /nfs/dbraw/zinc/00/62/34/1067006234.db2.gz LLNJHWCYMCKTDJ-YOEHRIQHSA-N 0 0 455.571 4.838 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2=O)cc1 ZINC001458220389 1067006510 /nfs/dbraw/zinc/00/65/10/1067006510.db2.gz SJUQVEPISKTLLA-QGZVFWFLSA-N 0 0 456.468 4.835 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c(Br)c1 ZINC001458220818 1067006556 /nfs/dbraw/zinc/00/65/56/1067006556.db2.gz KCJHCJNGTPDGLJ-LLVKDONJSA-N 0 0 452.255 4.543 20 0 JJADRN CCn1c(SCC(=O)N2CCCCC[C@H]2CCO)nnc1-c1ccc(Cl)cc1Cl ZINC001449399717 1067006710 /nfs/dbraw/zinc/00/67/10/1067006710.db2.gz GSJOZUSWGMEVAA-HNNXBMFYSA-N 0 0 457.427 4.518 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCCCS1)c1ccccc1 ZINC001545741095 1067007152 /nfs/dbraw/zinc/00/71/52/1067007152.db2.gz JUPGPOOOWQVSLY-PKTZIBPZSA-N 0 0 469.699 4.847 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(C)=O)CC2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545741117 1067007245 /nfs/dbraw/zinc/00/72/45/1067007245.db2.gz KEOXWDVEAJHPNG-IBGZPJMESA-N 0 0 451.537 4.513 20 0 JJADRN COc1ccc([C@H](NC(=O)c2nn(-c3ccccc3)cc2Br)C(F)(F)F)cc1 ZINC001458226599 1067007455 /nfs/dbraw/zinc/00/74/55/1067007455.db2.gz BHBRALIRWKGAFR-KRWDZBQOSA-N 0 0 454.246 4.677 20 0 JJADRN CCC[C@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC001449404659 1067007382 /nfs/dbraw/zinc/00/73/82/1067007382.db2.gz NIPGLKFZNYDURQ-OFVILXPXSA-N 0 0 453.970 4.765 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1c[nH]c(Br)c1)c1ccc(Cl)cc1 ZINC001449404910 1067007515 /nfs/dbraw/zinc/00/75/15/1067007515.db2.gz OAJRMPZFNVCQMR-AWEZNQCLSA-N 0 0 452.702 4.786 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCCOC)c1ccccc1 ZINC001545741250 1067007560 /nfs/dbraw/zinc/00/75/60/1067007560.db2.gz MSZSROFGKKECIL-QFIPXVFZSA-N 0 0 471.646 4.740 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC001458228366 1067007717 /nfs/dbraw/zinc/00/77/17/1067007717.db2.gz HSSQCCNHDKDOPY-XMSQKQJNSA-N 0 0 451.405 4.632 20 0 JJADRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC001449406546 1067007728 /nfs/dbraw/zinc/00/77/28/1067007728.db2.gz JXVBKUDJWPPDQL-NRFANRHFSA-N 0 0 457.452 4.766 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc1NC(=O)c1ccc(Br)cc1 ZINC001449408756 1067007749 /nfs/dbraw/zinc/00/77/49/1067007749.db2.gz HQLDFLMISCETSS-RTWAWAEBSA-N 0 0 457.368 4.793 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Cl)cc1 ZINC001449409760 1067008138 /nfs/dbraw/zinc/00/81/38/1067008138.db2.gz YDFWCRZFCUPIDA-SFHVURJKSA-N 0 0 452.864 4.745 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1sc(N2CCCC2)nc1Cl ZINC001458232461 1067008489 /nfs/dbraw/zinc/00/84/89/1067008489.db2.gz PWROAWTYMYPYSJ-UHFFFAOYSA-N 0 0 458.809 4.530 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001458232817 1067008515 /nfs/dbraw/zinc/00/85/15/1067008515.db2.gz SCEJNWZOGGRZSD-INIZCTEOSA-N 0 0 455.605 4.934 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC001458232825 1067008525 /nfs/dbraw/zinc/00/85/25/1067008525.db2.gz SCEJNWZOGGRZSD-MRXNPFEDSA-N 0 0 455.605 4.934 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(c3ccc(-c4ccc(Cl)s4)nn3)CC2)cs1 ZINC001458231753 1067008629 /nfs/dbraw/zinc/00/86/29/1067008629.db2.gz OHIIMOHCFFDUEU-CQSZACIVSA-N 0 0 450.033 4.735 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(F)(F)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545741834 1067008602 /nfs/dbraw/zinc/00/86/02/1067008602.db2.gz XNRLWNXKUIFQRS-HXUWFJFHSA-N 0 0 475.584 4.922 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545741957 1067008813 /nfs/dbraw/zinc/00/88/13/1067008813.db2.gz ZTQCWYCKCPQDDT-PKDFQYKZSA-N 0 0 485.673 4.721 20 0 JJADRN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ncc(Br)cc1Br ZINC001449418770 1067009024 /nfs/dbraw/zinc/00/90/24/1067009024.db2.gz CDHWUOJZAMTQKU-UHFFFAOYSA-N 0 0 455.125 4.590 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCCCc2c[nH]c3ccc(F)cc23)cc1 ZINC001449420552 1067009202 /nfs/dbraw/zinc/00/92/02/1067009202.db2.gz MMQHATOMDQBJJH-XMMPIXPASA-N 0 0 452.574 4.578 20 0 JJADRN CCNS(=O)(=O)c1ccc(CNc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC001458235356 1067009287 /nfs/dbraw/zinc/00/92/87/1067009287.db2.gz AYAIXPCZHDGIPE-UHFFFAOYSA-N 0 0 452.967 4.861 20 0 JJADRN CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C(F)(F)F)c(C(=O)OC)cn1 ZINC001458238706 1067009732 /nfs/dbraw/zinc/00/97/32/1067009732.db2.gz SHXQDEWPAQQNEN-UHFFFAOYSA-N 0 0 452.458 4.537 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC001458237806 1067009780 /nfs/dbraw/zinc/00/97/80/1067009780.db2.gz GRWQQSYVZWWJRT-UHFFFAOYSA-N 0 0 456.262 4.728 20 0 JJADRN COCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccco1 ZINC001458240979 1067010177 /nfs/dbraw/zinc/01/01/77/1067010177.db2.gz CPTFALCBQQTZAJ-WMZOPIPTSA-N 0 0 456.461 4.758 20 0 JJADRN O=C(NC[C@H](c1nnc[nH]1)c1ccccc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452230 1067010192 /nfs/dbraw/zinc/01/01/92/1067010192.db2.gz IGPNQJKXWKOXSU-SIKLNZKXSA-N 0 0 450.514 4.865 20 0 JJADRN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001449469338 1067010497 /nfs/dbraw/zinc/01/04/97/1067010497.db2.gz VTZLCIYDGYJONK-CVGPFBNFSA-N 0 0 450.441 4.692 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1cnc(Br)s1 ZINC001458242983 1067010579 /nfs/dbraw/zinc/01/05/79/1067010579.db2.gz IGUKIZOPKFTMSC-UHFFFAOYSA-N 0 0 452.374 4.612 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001449469344 1067010628 /nfs/dbraw/zinc/01/06/28/1067010628.db2.gz VTZLCIYDGYJONK-XOYGFPHKSA-N 0 0 450.441 4.692 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H]2c2ccccc2Br)n1 ZINC001458243457 1067010742 /nfs/dbraw/zinc/01/07/42/1067010742.db2.gz NCXKIICTCRYQKT-CQSZACIVSA-N 0 0 455.150 4.520 20 0 JJADRN Cc1nc2c(cccc2NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)o1 ZINC001449473394 1067010918 /nfs/dbraw/zinc/01/09/18/1067010918.db2.gz WUAWZTJDECYKNJ-UHFFFAOYSA-N 0 0 459.886 4.982 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)ccc1N1CCOCC1 ZINC001458244319 1067010870 /nfs/dbraw/zinc/01/08/70/1067010870.db2.gz NPLDGAMCASPOMA-CQSZACIVSA-N 0 0 453.764 4.654 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCOCCC(C)C)c1ccccc1 ZINC001545743783 1067010834 /nfs/dbraw/zinc/01/08/34/1067010834.db2.gz QPCKTZBDDMAXGU-HXUWFJFHSA-N 0 0 468.564 4.776 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)ccc1N1CCOCC1 ZINC001458245161 1067011151 /nfs/dbraw/zinc/01/11/51/1067011151.db2.gz QGNDRDSWWUWOAI-OIBXWCBGSA-N 0 0 457.615 4.728 20 0 JJADRN Cn1cc([C@@H](NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c2ccccc2)cn1 ZINC001458245399 1067011174 /nfs/dbraw/zinc/01/11/74/1067011174.db2.gz MXPSOIHJUNIBJT-KRWDZBQOSA-N 0 0 456.237 4.860 20 0 JJADRN COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cn3)cc1)CC2 ZINC001458244458 1067011259 /nfs/dbraw/zinc/01/12/59/1067011259.db2.gz PPZDZOIIYMSPCQ-UHFFFAOYSA-N 0 0 456.420 4.878 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001458246020 1067011498 /nfs/dbraw/zinc/01/14/98/1067011498.db2.gz LPQRKHDKBNPCPO-UZLBHIALSA-N 0 0 450.501 4.889 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001546014722 1067011547 /nfs/dbraw/zinc/01/15/47/1067011547.db2.gz MWAYKAFTDNOYNR-QHCPKHFHSA-N 0 0 499.725 4.969 20 0 JJADRN Cc1ccccc1NC1(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CCCC1 ZINC001449491423 1067011572 /nfs/dbraw/zinc/01/15/72/1067011572.db2.gz QCFVAIFZBSWXFA-UHFFFAOYSA-N 0 0 457.640 4.535 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545744315 1067011616 /nfs/dbraw/zinc/01/16/16/1067011616.db2.gz ZVXQPASQMIOMDD-XKCSPQBFSA-N 0 0 458.672 4.660 20 0 JJADRN COC[C@@H](CCO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1Cl ZINC001545744748 1067011778 /nfs/dbraw/zinc/01/17/78/1067011778.db2.gz LFGFDJOOWCHXIB-LRXXLLMYSA-N 0 0 450.966 4.892 20 0 JJADRN Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cnc1Br ZINC001458247815 1067011887 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20 0 JJADRN COc1ccc(Cl)cc1CC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458253067 1067012463 /nfs/dbraw/zinc/01/24/63/1067012463.db2.gz DGACMWFVYWWPBT-PGRDOPGGSA-N 0 0 453.341 4.550 20 0 JJADRN COc1cccc2c1CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC001458252316 1067012568 /nfs/dbraw/zinc/01/25/68/1067012568.db2.gz HEAXSEPIPFFCMB-FDDCHVKYSA-N 0 0 458.961 4.761 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545745781 1067012869 /nfs/dbraw/zinc/01/28/69/1067012869.db2.gz GPSCBSKSTYBHKE-UNWVZKJWSA-N 0 0 465.667 4.723 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458254557 1067012936 /nfs/dbraw/zinc/01/29/36/1067012936.db2.gz GINIJZATZDGQGS-SIKLNZKXSA-N 0 0 459.880 4.754 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)c1cccc(Br)c1 ZINC001458253447 1067013027 /nfs/dbraw/zinc/01/30/27/1067013027.db2.gz LZKGPVDFHAYNBT-FZKQIMNGSA-N 0 0 454.361 4.737 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)OC ZINC001546015056 1067013041 /nfs/dbraw/zinc/01/30/41/1067013041.db2.gz SNMIZETXLVLBGI-UYAOXDASSA-N 0 0 461.035 4.724 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001449527258 1067013089 /nfs/dbraw/zinc/01/30/89/1067013089.db2.gz BSKODJRGKJEUOC-JOCHJYFZSA-N 0 0 453.366 4.656 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC1CCCCC1)c1ccccc1 ZINC001545745906 1067013181 /nfs/dbraw/zinc/01/31/81/1067013181.db2.gz ICAVFKUGGVGOEF-LADGPHEKSA-N 0 0 487.714 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545745897 1067013211 /nfs/dbraw/zinc/01/32/11/1067013211.db2.gz IBPRZNOKYBBHCV-MDNUFGMLSA-N 0 0 471.715 4.950 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)C1 ZINC001458253588 1067013295 /nfs/dbraw/zinc/01/32/95/1067013295.db2.gz OCAWHKDJEJKFEZ-PKOBYXMFSA-N 0 0 457.615 4.906 20 0 JJADRN CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545746064 1067013493 /nfs/dbraw/zinc/01/34/93/1067013493.db2.gz JVTTUMYZWHYGLA-OAQYLSRUSA-N 0 0 481.442 4.818 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccc(OC)cc1)OC ZINC001546015169 1067013407 /nfs/dbraw/zinc/01/34/07/1067013407.db2.gz VJDNVRKEPQGKJH-AYWYSENESA-N 0 0 487.645 4.680 20 0 JJADRN Cc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1Cl ZINC001458255961 1067013795 /nfs/dbraw/zinc/01/37/95/1067013795.db2.gz IUWPULQHQSVOJM-UHFFFAOYSA-N 0 0 457.979 4.946 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)nc1 ZINC001458255653 1067013835 /nfs/dbraw/zinc/01/38/35/1067013835.db2.gz UDCQGPRTMZSLLN-UHFFFAOYSA-N 0 0 450.004 4.652 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)n1 ZINC001458255890 1067013966 /nfs/dbraw/zinc/01/39/66/1067013966.db2.gz ULOKCDISDHTPOB-UHFFFAOYSA-N 0 0 456.266 4.857 20 0 JJADRN CCCCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001449540105 1067014013 /nfs/dbraw/zinc/01/40/13/1067014013.db2.gz HRTYEGMHBVRVKJ-DHIUTWEWSA-N 0 0 480.577 4.966 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCCc1cccc(C)n1)c1ccccc1 ZINC001545746360 1067014182 /nfs/dbraw/zinc/01/41/82/1067014182.db2.gz NQBRRQPDWWTZQC-JYFHCDHNSA-N 0 0 474.653 4.509 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458256448 1067014263 /nfs/dbraw/zinc/01/42/63/1067014263.db2.gz KRIYBSCJXNLTGC-GIYRATLHSA-N 0 0 458.961 4.843 20 0 JJADRN CC[C@H](Cn1c(N(C)Cc2ccc(OC)c(C)c2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546015416 1067014332 /nfs/dbraw/zinc/01/43/32/1067014332.db2.gz ZRGFKAMWAMTQSP-LJQANCHMSA-N 0 0 459.635 4.832 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458256457 1067014389 /nfs/dbraw/zinc/01/43/89/1067014389.db2.gz KRIYBSCJXNLTGC-NFADKTAKSA-N 0 0 458.961 4.843 20 0 JJADRN CCOc1ccc(OCCCC(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC001458257848 1067014610 /nfs/dbraw/zinc/01/46/10/1067014610.db2.gz BYMTZJKCNLDTEM-UHFFFAOYSA-N 0 0 450.322 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545746502 1067014746 /nfs/dbraw/zinc/01/47/46/1067014746.db2.gz PTYKEBISZKAAEL-MEORGVRBSA-N 0 0 467.658 4.507 20 0 JJADRN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1 ZINC001449563648 1067014765 /nfs/dbraw/zinc/01/47/65/1067014765.db2.gz NUJHMAJTYJNEJB-UHFFFAOYSA-N 0 0 456.652 4.633 20 0 JJADRN CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001546015501 1067014835 /nfs/dbraw/zinc/01/48/35/1067014835.db2.gz BRVIZASYJGARCW-QHCPKHFHSA-N 0 0 458.624 4.934 20 0 JJADRN CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CCc1cccnc1)c1ccccc1 ZINC001545746589 1067014953 /nfs/dbraw/zinc/01/49/53/1067014953.db2.gz RIKLSHAKAPXLDL-NRFANRHFSA-N 0 0 452.400 4.947 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1CCCNC(C)=O)c1ccccc1 ZINC001545746572 1067015054 /nfs/dbraw/zinc/01/50/54/1067015054.db2.gz RBCIORVZSFCZBP-XZOQPEGZSA-N 0 0 480.682 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)CCCn2cnc3ccccc32)CC1 ZINC001449572575 1067015179 /nfs/dbraw/zinc/01/51/79/1067015179.db2.gz DBKNFYMQTQOTBK-QHCPKHFHSA-N 0 0 454.615 4.701 20 0 JJADRN C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H](c2ccsc2)O1 ZINC001458259794 1067015430 /nfs/dbraw/zinc/01/54/30/1067015430.db2.gz JFBDPMFKLMHNFM-TVQRCGJNSA-N 0 0 454.255 4.733 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545746721 1067015370 /nfs/dbraw/zinc/01/53/70/1067015370.db2.gz UBLHAXIWKINYNR-NFBKMPQASA-N 0 0 451.640 4.591 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458260624 1067015532 /nfs/dbraw/zinc/01/55/32/1067015532.db2.gz UNDQPCQECXQILU-URXFXBBRSA-N 0 0 457.977 4.868 20 0 JJADRN Cc1cc(NC(=O)c2c(F)cccc2I)cnc1N1CCCC[C@@H]1C ZINC001458261234 1067015578 /nfs/dbraw/zinc/01/55/78/1067015578.db2.gz UGDQZRMTTUBGLR-ZDUSSCGKSA-N 0 0 453.299 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cnc(-c3cccnc3)s2)CC1 ZINC001449580758 1067015800 /nfs/dbraw/zinc/01/58/00/1067015800.db2.gz HKMSQHDDCRFMFV-IBGZPJMESA-N 0 0 456.612 4.703 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Sc2ccccc2)nc1 ZINC001458264309 1067016091 /nfs/dbraw/zinc/01/60/91/1067016091.db2.gz PUZHISKMGFHSRN-UHFFFAOYSA-N 0 0 459.568 4.701 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)c1nc(N(C)C)cc(C(F)(F)F)n1 ZINC001458266744 1067016431 /nfs/dbraw/zinc/01/64/31/1067016431.db2.gz IFIQWQCBJXOSEP-UHFFFAOYSA-N 0 0 450.292 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)NC2(c3ccccc3Br)CCCCC2)C1 ZINC001449591828 1067016491 /nfs/dbraw/zinc/01/64/91/1067016491.db2.gz LAWLCCIIZHPRBF-UHFFFAOYSA-N 0 0 451.405 4.982 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)CSCc2ccc(F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458265607 1067016683 /nfs/dbraw/zinc/01/66/83/1067016683.db2.gz NLKQPKJQNVQNIP-DENIHFKCSA-N 0 0 452.954 4.718 20 0 JJADRN Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC001449600950 1067016809 /nfs/dbraw/zinc/01/68/09/1067016809.db2.gz KZBASVCDBBOOLV-CYBMUJFWSA-N 0 0 454.336 4.831 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(C)nc3cc(C)nn32)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270712 1067016819 /nfs/dbraw/zinc/01/68/19/1067016819.db2.gz CDJLGWVMQQKSIJ-JOCHJYFZSA-N 0 0 454.452 4.893 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545748414 1067017116 /nfs/dbraw/zinc/01/71/16/1067017116.db2.gz AJHXYGIWWLORJK-UNMCSNQZSA-N 0 0 480.682 4.764 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270947 1067017238 /nfs/dbraw/zinc/01/72/38/1067017238.db2.gz DGELGKBMNIOEOD-FCHUYYIVSA-N 0 0 455.432 4.701 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270959 1067017279 /nfs/dbraw/zinc/01/72/79/1067017279.db2.gz DGELGKBMNIOEOD-YADHBBJMSA-N 0 0 455.432 4.701 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC001545748675 1067017547 /nfs/dbraw/zinc/01/75/47/1067017547.db2.gz DFLRHOFIHWDVLQ-BLPJSXLPSA-N 0 0 481.685 4.909 20 0 JJADRN Cc1noc(COc2ccc(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)cn2)n1 ZINC001458272444 1067017609 /nfs/dbraw/zinc/01/76/09/1067017609.db2.gz IJIZQHBHWQAYCK-UHFFFAOYSA-N 0 0 450.495 4.572 20 0 JJADRN CCO[C@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC001458272262 1067017743 /nfs/dbraw/zinc/01/77/43/1067017743.db2.gz MBSWMZCPXVGIKD-YADHBBJMSA-N 0 0 451.485 4.751 20 0 JJADRN COc1ccc([C@@H](CC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)NC(C)=O)cc1 ZINC001458272990 1067018229 /nfs/dbraw/zinc/01/82/29/1067018229.db2.gz NKZBYUXSYGRNFJ-XMMPIXPASA-N 0 0 452.551 4.869 20 0 JJADRN O=C(CCC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)Nc1nnc(C2CCCCC2)s1 ZINC001449629274 1067018301 /nfs/dbraw/zinc/01/83/01/1067018301.db2.gz BECGPWVMKWPCQS-CQSZACIVSA-N 0 0 452.502 4.526 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458274711 1067018636 /nfs/dbraw/zinc/01/86/36/1067018636.db2.gz GWPLIUHEFFWXCJ-XIBGDNMGSA-N 0 0 456.558 4.643 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001449637880 1067018860 /nfs/dbraw/zinc/01/88/60/1067018860.db2.gz FAGQSKNYSOKBNQ-URXFXBBRSA-N 0 0 456.652 4.743 20 0 JJADRN CCc1c(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)nnn1-c1ccc(OC(C)C)cc1 ZINC001458274408 1067018999 /nfs/dbraw/zinc/01/89/99/1067018999.db2.gz HETSNKWSNNKDIX-UHFFFAOYSA-N 0 0 450.539 4.825 20 0 JJADRN O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)c1sccc1S(=O)(=O)C(F)F ZINC001458276083 1067019078 /nfs/dbraw/zinc/01/90/78/1067019078.db2.gz UYSCOMIEEIWMGA-UHFFFAOYSA-N 0 0 457.520 4.965 20 0 JJADRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC001458276147 1067019160 /nfs/dbraw/zinc/01/91/60/1067019160.db2.gz VNFURYGQHVUHIC-QHCPKHFHSA-N 0 0 452.551 4.951 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCc1nccs1)c1ccccc1 ZINC001545749294 1067019233 /nfs/dbraw/zinc/01/92/33/1067019233.db2.gz MOCYQNJWJVIJRU-SFTDATJTSA-N 0 0 480.682 4.650 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545749087 1067019255 /nfs/dbraw/zinc/01/92/55/1067019255.db2.gz JYFACLXCUMTORX-ROUUACIJSA-N 0 0 451.537 4.513 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCc1nccs1)c1ccccc1 ZINC001545749293 1067019400 /nfs/dbraw/zinc/01/94/00/1067019400.db2.gz MOCYQNJWJVIJRU-RTWAWAEBSA-N 0 0 480.682 4.650 20 0 JJADRN Cc1c(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)sc2nc3n(c(=O)c12)CCCCC3 ZINC001458279689 1067020049 /nfs/dbraw/zinc/02/00/49/1067020049.db2.gz ZLUSMDVWAWITGQ-UHFFFAOYSA-N 0 0 453.564 4.700 20 0 JJADRN CCn1cc(C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(-c2ccccc2)n1 ZINC001449687738 1067020489 /nfs/dbraw/zinc/02/04/89/1067020489.db2.gz FAJUMIABWLIMFP-NHCUHLMSSA-N 0 0 452.599 4.679 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C)OC ZINC001546016592 1067020677 /nfs/dbraw/zinc/02/06/77/1067020677.db2.gz HCKVJUFHKFXZDT-FFGOWVMKSA-N 0 0 487.620 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449692157 1067020705 /nfs/dbraw/zinc/02/07/05/1067020705.db2.gz HXUMSQNXJNUMJL-MXEMCNAFSA-N 0 0 479.662 4.566 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC1(CCOC)CC1)c1ccccc1 ZINC001545749632 1067020760 /nfs/dbraw/zinc/02/07/60/1067020760.db2.gz QTHHIEJVYIUBCH-GOTSBHOMSA-N 0 0 481.685 4.768 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC1(CCOC)CC1)c1ccccc1 ZINC001545749634 1067020772 /nfs/dbraw/zinc/02/07/72/1067020772.db2.gz QTHHIEJVYIUBCH-XZOQPEGZSA-N 0 0 481.685 4.768 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545749798 1067021119 /nfs/dbraw/zinc/02/11/19/1067021119.db2.gz TYCGCYLHRXUUPX-SFTDATJTSA-N 0 0 467.589 4.563 20 0 JJADRN CCc1cc(OCC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)ccc1Cl ZINC001449693764 1067021212 /nfs/dbraw/zinc/02/12/12/1067021212.db2.gz JESDGTSWQWPLIA-RBUKOAKNSA-N 0 0 451.007 4.777 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545749796 1067021158 /nfs/dbraw/zinc/02/11/58/1067021158.db2.gz TYCGCYLHRXUUPX-NHCUHLMSSA-N 0 0 467.589 4.563 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC001458286147 1067021476 /nfs/dbraw/zinc/02/14/76/1067021476.db2.gz FXMHTEKDUSRCCN-JOCHJYFZSA-N 0 0 455.986 4.634 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545749955 1067021517 /nfs/dbraw/zinc/02/15/17/1067021517.db2.gz WBHPWYRAVVFCGD-DNVJHFABSA-N 0 0 485.673 4.985 20 0 JJADRN CC[C@H](OC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cc(C)ccc1OC ZINC001458287106 1067021769 /nfs/dbraw/zinc/02/17/69/1067021769.db2.gz VUSPXEIIPRGYLM-IOUNIBQOSA-N 0 0 457.592 4.711 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC001545750126 1067022040 /nfs/dbraw/zinc/02/20/40/1067022040.db2.gz YMNAXAFXMLKBRS-HXUWFJFHSA-N 0 0 459.516 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)c3cccc(Oc4ccccn4)c3)C2)C1 ZINC001449706762 1067022148 /nfs/dbraw/zinc/02/21/48/1067022148.db2.gz QIMYFRIHZYTNSQ-RTWAWAEBSA-N 0 0 451.567 4.983 20 0 JJADRN Cc1c(Br)scc1C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449708784 1067022163 /nfs/dbraw/zinc/02/21/63/1067022163.db2.gz QYHWOYSWQCWBBK-GJZGRUSLSA-N 0 0 457.434 4.928 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458290244 1067022756 /nfs/dbraw/zinc/02/27/56/1067022756.db2.gz BDIBOQYLBUMBES-OADBXXSESA-N 0 0 456.558 4.643 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1csc(C)c1)c1ccccc1 ZINC001545750256 1067022859 /nfs/dbraw/zinc/02/28/59/1067022859.db2.gz ZWODACAGCMXEET-XZOQPEGZSA-N 0 0 465.667 4.979 20 0 JJADRN O=C(Cc1cc(Cl)cc(Cl)c1)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458292608 1067022921 /nfs/dbraw/zinc/02/29/21/1067022921.db2.gz QDHYHLFLTYIXHM-SFHVURJKSA-N 0 0 459.295 4.862 20 0 JJADRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458290246 1067022956 /nfs/dbraw/zinc/02/29/56/1067022956.db2.gz BDIBOQYLBUMBES-SOEYXYNYSA-N 0 0 456.558 4.643 20 0 JJADRN CC[C@H](Cn1c(N2CCC(CNC(=O)OC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016410 1067022823 /nfs/dbraw/zinc/02/28/23/1067022823.db2.gz DAIKGLQKUUPYSN-HSZRJFAPSA-N 0 0 497.684 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3ncsc3Nc3ccccc3)C2)C1 ZINC001449715343 1067022852 /nfs/dbraw/zinc/02/28/52/1067022852.db2.gz VTGJPCZBPVHQEN-ZWKOTPCHSA-N 0 0 456.612 4.996 20 0 JJADRN CC[C@H](Cn1c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546016412 1067022886 /nfs/dbraw/zinc/02/28/86/1067022886.db2.gz DAPXMQVGYOWABU-DUXKGJEZSA-N 0 0 489.636 4.984 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1Oc1cccc(Br)c1 ZINC001545751107 1067023080 /nfs/dbraw/zinc/02/30/80/1067023080.db2.gz YSIGBVXYAMDNEN-QGZVFWFLSA-N 0 0 457.368 4.905 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1)OC ZINC001546016455 1067023167 /nfs/dbraw/zinc/02/31/67/1067023167.db2.gz DYALGTBFBKMAES-RXVVDRJESA-N 0 0 489.617 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](COC)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545751325 1067023566 /nfs/dbraw/zinc/02/35/66/1067023566.db2.gz DFTNDMPURYSWAT-ISKFKSNPSA-N 0 0 470.658 4.516 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC001458294915 1067023747 /nfs/dbraw/zinc/02/37/47/1067023747.db2.gz NNDCFADQWRXHSS-BUKVSMQUSA-N 0 0 451.563 4.784 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545751389 1067023779 /nfs/dbraw/zinc/02/37/79/1067023779.db2.gz FCKXASIJWDTNNT-WOLJRWFJSA-N 0 0 488.698 4.571 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)C1(c2ccccc2Cl)CCC1 ZINC001449741712 1067024152 /nfs/dbraw/zinc/02/41/52/1067024152.db2.gz OCAPIYWPIWRKJF-CQSZACIVSA-N 0 0 454.767 4.631 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545751543 1067024463 /nfs/dbraw/zinc/02/44/63/1067024463.db2.gz HORHXWQDPVKHHV-JOCHJYFZSA-N 0 0 494.709 4.875 20 0 JJADRN CCOCCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccccc2C)c1C ZINC001458296017 1067024417 /nfs/dbraw/zinc/02/44/17/1067024417.db2.gz YWETUSOXFTUHSL-UHFFFAOYSA-N 0 0 458.356 4.919 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545751528 1067024651 /nfs/dbraw/zinc/02/46/51/1067024651.db2.gz HEYBEVKCNXHGQM-BHDDXSALSA-N 0 0 479.591 4.710 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1Cl ZINC001458298719 1067024880 /nfs/dbraw/zinc/02/48/80/1067024880.db2.gz OIZUZLXJEXZVQO-UHFFFAOYSA-N 0 0 452.363 4.842 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c2nccc(C)c2c1 ZINC001458297441 1067024924 /nfs/dbraw/zinc/02/49/24/1067024924.db2.gz SZHZIKIUMPBXFZ-OAQYLSRUSA-N 0 0 455.480 4.791 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H](C)COC)c1ccccc1 ZINC001545751672 1067024984 /nfs/dbraw/zinc/02/49/84/1067024984.db2.gz JQAVSZPSTPEBPW-NZQKXSOJSA-N 0 0 481.666 4.517 20 0 JJADRN Cc1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1ccc(C)cc1 ZINC001458299615 1067025090 /nfs/dbraw/zinc/02/50/90/1067025090.db2.gz QSSBYQPTAIQPBJ-OAQYLSRUSA-N 0 0 452.530 4.875 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)C(F)(F)F ZINC001458300511 1067025216 /nfs/dbraw/zinc/02/52/16/1067025216.db2.gz CMBZKGBRALWLFN-NRFANRHFSA-N 0 0 457.431 4.847 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1nscc1Br)C(F)(F)F ZINC001458300466 1067025294 /nfs/dbraw/zinc/02/52/94/1067025294.db2.gz BYCIIAIOSUUFQD-HNNXBMFYSA-N 0 0 459.291 4.742 20 0 JJADRN Cc1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nn1-c1ccc(C)cc1 ZINC001458299614 1067025337 /nfs/dbraw/zinc/02/53/37/1067025337.db2.gz QSSBYQPTAIQPBJ-NRFANRHFSA-N 0 0 452.530 4.875 20 0 JJADRN CCOC(=O)c1sc2ncnc(N3CCc4c(Br)ccc(F)c4C3)c2c1C ZINC001458305020 1067025472 /nfs/dbraw/zinc/02/54/72/1067025472.db2.gz UIKSMUCGRMJMCF-UHFFFAOYSA-N 0 0 450.333 4.641 20 0 JJADRN Cn1cc(-c2ccccc2CNc2ncc(C(F)(F)F)cc2I)cn1 ZINC001458303640 1067025705 /nfs/dbraw/zinc/02/57/05/1067025705.db2.gz MPBPNJVDMOUREG-UHFFFAOYSA-N 0 0 458.225 4.718 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)Oc1ccccc1F ZINC001546017031 1067025735 /nfs/dbraw/zinc/02/57/35/1067025735.db2.gz NTDVRJVZNUCYOA-FHAGJXEFSA-N 0 0 460.594 4.552 20 0 JJADRN CC[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C)Oc1ccccc1F ZINC001546017087 1067026126 /nfs/dbraw/zinc/02/61/26/1067026126.db2.gz OMQXKDGMVNRYTF-MRXNPFEDSA-N 0 0 488.365 4.520 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1OCCC1(C)C)c1ccccc1 ZINC001545751926 1067026074 /nfs/dbraw/zinc/02/60/74/1067026074.db2.gz NOMFGBSUZDWQNN-ZEQRLZLVSA-N 0 0 497.684 4.940 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)c2nc3ccccc3cc2C2CC2)cc1Br ZINC001449762683 1067026410 /nfs/dbraw/zinc/02/64/10/1067026410.db2.gz PFXBDDJANMETCT-QGZVFWFLSA-N 0 0 453.380 4.764 20 0 JJADRN O=S(=O)(c1cc(F)ccc1NCc1cc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC001458309551 1067026636 /nfs/dbraw/zinc/02/66/36/1067026636.db2.gz ZOSZSTGUYNMQLR-UHFFFAOYSA-N 0 0 451.239 4.975 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545752181 1067027075 /nfs/dbraw/zinc/02/70/75/1067027075.db2.gz SEMWYLRKEBLNRE-ARNLJNQMSA-N 0 0 481.685 4.720 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CCCCc2ccc(Cl)cc2)CC1 ZINC001449777965 1067027331 /nfs/dbraw/zinc/02/73/31/1067027331.db2.gz UIKFSJAVSULNLP-GGAORHGYSA-N 0 0 465.034 4.974 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458313896 1067027261 /nfs/dbraw/zinc/02/72/61/1067027261.db2.gz DDZBCSDHICRHBX-FDDCHVKYSA-N 0 0 456.583 4.755 20 0 JJADRN CC[C@H](Cn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546016748 1067027635 /nfs/dbraw/zinc/02/76/35/1067027635.db2.gz JKOJKHYZEOXBIE-DLBZAZTESA-N 0 0 471.543 4.645 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ccc(OC)c(Br)c1 ZINC001458315346 1067027851 /nfs/dbraw/zinc/02/78/51/1067027851.db2.gz FBALLYWOHCWVRR-HSALFYBXSA-N 0 0 460.368 4.618 20 0 JJADRN C[C@H](CO)n1c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2nc1C(F)(F)F ZINC001449788704 1067028102 /nfs/dbraw/zinc/02/81/02/1067028102.db2.gz DNLOQIXRSJEGFP-XIKOKIGWSA-N 0 0 454.880 4.503 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545752402 1067028133 /nfs/dbraw/zinc/02/81/33/1067028133.db2.gz WXRDFORDNHKMAV-QHCPKHFHSA-N 0 0 451.659 4.951 20 0 JJADRN C[C@H](CO)n1c2ccc(NC(=O)Cc3nc(C4CCCC4)cs3)cc2nc1C(F)(F)F ZINC001449787841 1067028186 /nfs/dbraw/zinc/02/81/86/1067028186.db2.gz CVSBSXDQNGDOJS-GFCCVEGCSA-N 0 0 452.502 4.904 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC1(C)CC1)c1ccccc1 ZINC001545752412 1067028374 /nfs/dbraw/zinc/02/83/74/1067028374.db2.gz XFJACYHKVXREAE-QFIPXVFZSA-N 0 0 453.631 4.925 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001458317749 1067028513 /nfs/dbraw/zinc/02/85/13/1067028513.db2.gz ZSXZCFWZZFSCNZ-UHFFFAOYSA-N 0 0 450.686 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C(C)(C)C1 ZINC001449792053 1067028743 /nfs/dbraw/zinc/02/87/43/1067028743.db2.gz TUOKBMLCWGTYMU-GDBMZVCRSA-N 0 0 455.368 4.585 20 0 JJADRN CCN(CC(=O)NCC(C)(C)c1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449794510 1067028930 /nfs/dbraw/zinc/02/89/30/1067028930.db2.gz GXEUZLRENCPMLA-UHFFFAOYSA-N 0 0 457.574 4.746 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)NCc3cc(Br)no3)cc2c1 ZINC001449796075 1067029098 /nfs/dbraw/zinc/02/90/98/1067029098.db2.gz IMBWXVOCHQWRQM-UHFFFAOYSA-N 0 0 452.330 4.929 20 0 JJADRN CC[C@H](Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546017356 1067029878 /nfs/dbraw/zinc/02/98/78/1067029878.db2.gz SUQVICLAQJKURG-RBBKRZOGSA-N 0 0 483.657 4.619 20 0 JJADRN CON(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[C@@H](C)c1csc(C)n1 ZINC001449801582 1067029905 /nfs/dbraw/zinc/02/99/05/1067029905.db2.gz USTWQSJULFFTTF-JQWIXIFHSA-N 0 0 452.627 4.552 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCCCCC1)c1ccccc1 ZINC001545754048 1067030028 /nfs/dbraw/zinc/03/00/28/1067030028.db2.gz DMROENUJFRIEFR-HSZRJFAPSA-N 0 0 497.684 4.962 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545754065 1067030075 /nfs/dbraw/zinc/03/00/75/1067030075.db2.gz DYRQRBIYGZJHGZ-ZJSXRUAMSA-N 0 0 490.652 4.903 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545754053 1067030091 /nfs/dbraw/zinc/03/00/91/1067030091.db2.gz DPRWNHVMXMJEHE-OAQYLSRUSA-N 0 0 496.681 4.999 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)nnc1C(C)(C)C)OC ZINC001546017503 1067030150 /nfs/dbraw/zinc/03/01/50/1067030150.db2.gz VSJLYEFMRYYGFT-SFHVURJKSA-N 0 0 473.971 4.999 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1Br ZINC001458321984 1067030251 /nfs/dbraw/zinc/03/02/51/1067030251.db2.gz GNNOJCIICOHXKE-GTNSWQLSSA-N 0 0 457.162 4.726 20 0 JJADRN Cn1nnc2cc(C(=O)N[C@H](COc3cccc(F)c3)c3cccc(C(F)(F)F)c3)ccc21 ZINC001458322883 1067030604 /nfs/dbraw/zinc/03/06/04/1067030604.db2.gz UNLXPTRHBVQOEA-HXUWFJFHSA-N 0 0 458.415 4.676 20 0 JJADRN CC[C@@H](Cn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017504 1067030644 /nfs/dbraw/zinc/03/06/44/1067030644.db2.gz VTWNOOCUUBEQMD-MOPGFXCFSA-N 0 0 470.593 4.723 20 0 JJADRN CC(C)(C[C@H]1CCCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C1)C(N)=O ZINC001449838066 1067031250 /nfs/dbraw/zinc/03/12/50/1067031250.db2.gz FLPCRBHLAYEATA-MRXNPFEDSA-N 0 0 454.958 4.540 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545754689 1067031328 /nfs/dbraw/zinc/03/13/28/1067031328.db2.gz SLVUHEPEQSAPDC-VJBWXMMDSA-N 0 0 485.673 4.985 20 0 JJADRN O=C(Nc1cnc2c(c1)COCC2)c1cccnc1SCc1cccc(Br)c1 ZINC001458325524 1067031388 /nfs/dbraw/zinc/03/13/88/1067031388.db2.gz VHZSXOXBQNONFK-UHFFFAOYSA-N 0 0 456.365 4.856 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001458325725 1067031432 /nfs/dbraw/zinc/03/14/32/1067031432.db2.gz WFJZCIIGZOVSKE-UVFQYZLESA-N 0 0 451.792 4.821 20 0 JJADRN O=C(c1cc(Br)cnc1C1CC1)N1CCc2cc(Br)cc(F)c2C1 ZINC001458326243 1067031528 /nfs/dbraw/zinc/03/15/28/1067031528.db2.gz MVEPMIXXEMDRAN-UHFFFAOYSA-N 0 0 454.137 4.822 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2nc1C(F)(F)F ZINC001449835894 1067031355 /nfs/dbraw/zinc/03/13/55/1067031355.db2.gz CURBQDDEBGFWFP-NSHDSACASA-N 0 0 450.442 4.967 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C)s1)c1ccccc1 ZINC001545754464 1067031418 /nfs/dbraw/zinc/03/14/18/1067031418.db2.gz NJUIIRUKCDFMMR-QFIPXVFZSA-N 0 0 451.640 4.543 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccco1)c1ccccc1 ZINC001545754851 1067031610 /nfs/dbraw/zinc/03/16/10/1067031610.db2.gz WQBSJIOTSNFFHN-NRFANRHFSA-N 0 0 451.571 4.518 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)c3ncc4cc(Cl)ccn43)cc2nc1C(F)(F)F ZINC001449843306 1067031623 /nfs/dbraw/zinc/03/16/23/1067031623.db2.gz TWNHGDUYCHCPRA-NSHDSACASA-N 0 0 451.836 4.552 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCc4cc(Br)cc(F)c4C3)o2)cc1 ZINC001458327554 1067032058 /nfs/dbraw/zinc/03/20/58/1067032058.db2.gz VXIQPDPKUPBGPE-UHFFFAOYSA-N 0 0 459.315 4.769 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545754912 1067031987 /nfs/dbraw/zinc/03/19/87/1067031987.db2.gz YISRLGOQELHLBM-WMZOPIPTSA-N 0 0 467.536 4.828 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H]1CCC[C@H]1C)c1ccccc1 ZINC001545754897 1067032036 /nfs/dbraw/zinc/03/20/36/1067032036.db2.gz YFSQBJSJGXYGFJ-GMKZXUHWSA-N 0 0 466.674 4.840 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545756075 1067032327 /nfs/dbraw/zinc/03/23/27/1067032327.db2.gz AKBCCHKPIUSOLG-CTNGQTDRSA-N 0 0 468.671 4.585 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H](OC)C(C)C)c1ccccc1 ZINC001545756177 1067032986 /nfs/dbraw/zinc/03/29/86/1067032986.db2.gz BYVCLQHCHPXFRK-WWNPGLIZSA-N 0 0 482.698 4.831 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3nc(-c4cccs4)ns3)cc2)cc1 ZINC001458332796 1067032946 /nfs/dbraw/zinc/03/29/46/1067032946.db2.gz GAOHLRHCXLUUIW-UHFFFAOYSA-N 0 0 455.586 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001458332240 1067032962 /nfs/dbraw/zinc/03/29/62/1067032962.db2.gz PVZSFZOYVAMHFM-INIZCTEOSA-N 0 0 454.552 4.571 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001458331994 1067033015 /nfs/dbraw/zinc/03/30/15/1067033015.db2.gz CLJAGDUBMLILCX-UHFFFAOYSA-N 0 0 456.346 4.570 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)CC2)c1 ZINC001458333632 1067033250 /nfs/dbraw/zinc/03/32/50/1067033250.db2.gz RZOLPEMFEBVLMV-UHFFFAOYSA-N 0 0 452.620 4.878 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545756398 1067033302 /nfs/dbraw/zinc/03/33/02/1067033302.db2.gz HFKQIUPBTKCBCT-STAYPELNSA-N 0 0 497.684 4.938 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)c1)c1cccnc1 ZINC001449877610 1067033657 /nfs/dbraw/zinc/03/36/57/1067033657.db2.gz KJQVEYVDDJJDLA-IBGZPJMESA-N 0 0 450.336 4.726 20 0 JJADRN CC[C@@H](C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)nc(C)n1 ZINC001458334932 1067033734 /nfs/dbraw/zinc/03/37/34/1067033734.db2.gz JEJKPPWUVFDBMH-YLJYHZDGSA-N 0 0 456.587 4.769 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1(C)C ZINC001449874578 1067033733 /nfs/dbraw/zinc/03/37/33/1067033733.db2.gz DHORJKXSYOSRHR-RYQLBKOJSA-N 0 0 451.405 4.704 20 0 JJADRN CCC[C@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC)c1cccc(Cl)c1 ZINC001546017755 1067033790 /nfs/dbraw/zinc/03/37/90/1067033790.db2.gz BTMMTHJRXBSCHS-IBGZPJMESA-N 0 0 452.020 4.935 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545756529 1067033757 /nfs/dbraw/zinc/03/37/57/1067033757.db2.gz JTRFWQYTGYXLOL-FQEVSTJZSA-N 0 0 486.755 4.965 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545756530 1067033771 /nfs/dbraw/zinc/03/37/71/1067033771.db2.gz JTRFWQYTGYXLOL-HXUWFJFHSA-N 0 0 486.755 4.965 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CCC(=O)N2C)cc1 ZINC001458335652 1067033825 /nfs/dbraw/zinc/03/38/25/1067033825.db2.gz RATAPDYOZBMRSY-XXBNENTESA-N 0 0 457.521 4.512 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC001546017936 1067034114 /nfs/dbraw/zinc/03/41/14/1067034114.db2.gz IWVRGLNRCQERDJ-JKSUJKDBSA-N 0 0 470.422 4.808 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3CC[C@](F)(c4ccccc4C)C3)c2c1C ZINC001458337913 1067034326 /nfs/dbraw/zinc/03/43/26/1067034326.db2.gz MBOYZQQRAFKUCD-XMMPIXPASA-N 0 0 456.587 4.622 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1)OC ZINC001545756665 1067034503 /nfs/dbraw/zinc/03/45/03/1067034503.db2.gz LOVRMOXDGGGFEW-UEVCKROQSA-N 0 0 482.698 4.973 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001545756779 1067034523 /nfs/dbraw/zinc/03/45/23/1067034523.db2.gz OAPWAJQANBRODY-XUZZJYLKSA-N 0 0 494.709 4.679 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545756666 1067034698 /nfs/dbraw/zinc/03/46/98/1067034698.db2.gz LOVRMOXDGGGFEW-WWPVKYPJSA-N 0 0 482.698 4.973 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545757168 1067035123 /nfs/dbraw/zinc/03/51/23/1067035123.db2.gz VBPMMEYYMXMDQH-PMXSJFBMSA-N 0 0 477.575 4.856 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458340063 1067035039 /nfs/dbraw/zinc/03/50/39/1067035039.db2.gz HADTVYCUHDDRND-LJQANCHMSA-N 0 0 454.929 4.832 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001458341005 1067035318 /nfs/dbraw/zinc/03/53/18/1067035318.db2.gz ARRLTJLUFKOWIV-QHAWAJNXSA-N 0 0 458.624 4.685 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545757238 1067035378 /nfs/dbraw/zinc/03/53/78/1067035378.db2.gz WADYWHYXESVITF-UNMCSNQZSA-N 0 0 482.698 4.975 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCCOC(F)F)c1ccccc1 ZINC001545757280 1067035775 /nfs/dbraw/zinc/03/57/75/1067035775.db2.gz WRCMZSBLHBIJIY-WMZOPIPTSA-N 0 0 475.506 4.522 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)cc2)c1 ZINC001458342110 1067035840 /nfs/dbraw/zinc/03/58/40/1067035840.db2.gz QHZWMSVVYWAEKK-LJQANCHMSA-N 0 0 452.913 4.727 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC001458341791 1067035917 /nfs/dbraw/zinc/03/59/17/1067035917.db2.gz ORCMAXYMRXLNJP-UHFFFAOYSA-N 0 0 450.445 4.604 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc3[nH]c(Cc4ccc(F)cc4)nc3c2)cc1 ZINC001449904531 1067036042 /nfs/dbraw/zinc/03/60/42/1067036042.db2.gz XXGMYEZKDRJEPG-UHFFFAOYSA-N 0 0 458.537 4.959 20 0 JJADRN COc1ccc(CN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458342662 1067036069 /nfs/dbraw/zinc/03/60/69/1067036069.db2.gz DUQHQMKUXIPWNO-AKIFATBCSA-N 0 0 459.627 4.977 20 0 JJADRN Cc1cc(NC(=O)c2cc(C)n(-c3ccccc3Br)n2)nn1-c1cccc(F)c1 ZINC001458342631 1067036141 /nfs/dbraw/zinc/03/61/41/1067036141.db2.gz ZCKGNPUHBPAHDU-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cnc(Cl)cc1C(F)(F)F ZINC001458342182 1067036340 /nfs/dbraw/zinc/03/63/40/1067036340.db2.gz DIAQWXNNHISJNP-ZDUSSCGKSA-N 0 0 452.647 4.596 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC001545757876 1067036281 /nfs/dbraw/zinc/03/62/81/1067036281.db2.gz PWLMWTSPPUJAGQ-UHFFFAOYSA-N 0 0 453.539 4.868 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)SC)c1ccccc1 ZINC001545758143 1067036478 /nfs/dbraw/zinc/03/64/78/1067036478.db2.gz APSPSMFKCPKUSV-ZIFCJYIRSA-N 0 0 455.594 4.644 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[C@H](F)C1)c1ccccc1 ZINC001545758148 1067036504 /nfs/dbraw/zinc/03/65/04/1067036504.db2.gz ARSOOSCENLEIMX-YSIASYRMSA-N 0 0 453.528 4.643 20 0 JJADRN Cc1sc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)nc1C1CCCCC1 ZINC001449907649 1067036456 /nfs/dbraw/zinc/03/64/56/1067036456.db2.gz YGRLAPLGDNZGMT-UHFFFAOYSA-N 0 0 457.415 4.674 20 0 JJADRN COc1ccc(CN(C(=O)CCCn2c(C)cc(=O)cc2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458345776 1067036928 /nfs/dbraw/zinc/03/69/28/1067036928.db2.gz LBRZBMPTVDUSBT-DVECYGJZSA-N 0 0 454.611 4.870 20 0 JJADRN CC[C@@H](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908049 1067036942 /nfs/dbraw/zinc/03/69/42/1067036942.db2.gz AYIRHNSGSSSJEU-BFUOFWGJSA-N 0 0 459.395 4.585 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccnc(SC(C)(C)C)c2)c1 ZINC001449908381 1067037018 /nfs/dbraw/zinc/03/70/18/1067037018.db2.gz BVBOMWAUWLKGLJ-QGZVFWFLSA-N 0 0 453.402 4.549 20 0 JJADRN COc1ccc(CN(C(=O)CCCn2c(C)cc(=O)cc2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458345769 1067037056 /nfs/dbraw/zinc/03/70/56/1067037056.db2.gz LBRZBMPTVDUSBT-CYFREDJKSA-N 0 0 454.611 4.870 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001458345753 1067037164 /nfs/dbraw/zinc/03/71/64/1067037164.db2.gz KZYGCPXNQKLZNB-OCCSQVGLSA-N 0 0 458.183 4.918 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001546018249 1067037206 /nfs/dbraw/zinc/03/72/06/1067037206.db2.gz WJCGNTVQNSNSGD-UHFFFAOYSA-N 0 0 456.612 4.889 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001458346133 1067037499 /nfs/dbraw/zinc/03/74/99/1067037499.db2.gz LPTGJFWYCULJRG-ADLMAVQZSA-N 0 0 456.732 4.674 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC001449915066 1067037427 /nfs/dbraw/zinc/03/74/27/1067037427.db2.gz MHUHTIPQEVQTPZ-XOBRGWDASA-N 0 0 454.792 4.872 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc2cc(O)ccc21 ZINC001546018289 1067037970 /nfs/dbraw/zinc/03/79/70/1067037970.db2.gz YDSOMCPVUMCZEI-UHFFFAOYSA-N 0 0 455.580 4.650 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)NC(=O)OC(C)(C)C ZINC001449934705 1067038260 /nfs/dbraw/zinc/03/82/60/1067038260.db2.gz DXMRJAZDPYOTJG-HXUWFJFHSA-N 0 0 450.539 4.745 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc(Br)ccc2Br)cc1 ZINC001458347673 1067038368 /nfs/dbraw/zinc/03/83/68/1067038368.db2.gz IBZPFKSAESCYJN-GTNSWQLSSA-N 0 0 457.162 4.726 20 0 JJADRN CCOc1nc2cc(NC(=O)[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2o1 ZINC001449952304 1067038610 /nfs/dbraw/zinc/03/86/10/1067038610.db2.gz GCOBGXAALUZJIL-YCRPNKLZSA-N 0 0 459.905 4.956 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001546018471 1067038688 /nfs/dbraw/zinc/03/86/88/1067038688.db2.gz CKVYIQKSFODFBG-ILWGZMRPSA-N 0 0 487.620 4.641 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)c2nccs2)CCO1 ZINC001546099685 1067038891 /nfs/dbraw/zinc/03/88/91/1067038891.db2.gz KRDFIMLJXGKXOJ-DVECYGJZSA-N 0 0 455.628 4.739 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001546018472 1067038926 /nfs/dbraw/zinc/03/89/26/1067038926.db2.gz CKVYIQKSFODFBG-KSEOMHKRSA-N 0 0 487.620 4.641 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545758586 1067038807 /nfs/dbraw/zinc/03/88/07/1067038807.db2.gz JHEIURTXZIFQSI-JTHZHXAOSA-N 0 0 481.685 4.861 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C[C@@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545758585 1067039092 /nfs/dbraw/zinc/03/90/92/1067039092.db2.gz JHEIURTXZIFQSI-FVBUEAAESA-N 0 0 481.685 4.861 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001545759750 1067040484 /nfs/dbraw/zinc/04/04/84/1067040484.db2.gz GELIWLWSGCKBMP-AWEZNQCLSA-N 0 0 457.518 4.520 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)cc1 ZINC001450006213 1067040689 /nfs/dbraw/zinc/04/06/89/1067040689.db2.gz WPZXLSWCCMTKMS-FUDKSRODSA-N 0 0 450.579 4.539 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545758996 1067040944 /nfs/dbraw/zinc/04/09/44/1067040944.db2.gz QGJFBXWRKIVAEL-DEOSSOPVSA-N 0 0 481.685 4.864 20 0 JJADRN COc1ccc(-n2nnc(C(=O)NCCSCc3ccc(Cl)cc3Cl)c2C)cc1 ZINC001458354741 1067041026 /nfs/dbraw/zinc/04/10/26/1067041026.db2.gz ZMGXLQASGPUSMY-UHFFFAOYSA-N 0 0 451.379 4.554 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001546018846 1067041153 /nfs/dbraw/zinc/04/11/53/1067041153.db2.gz JNHMFILNMMNBHL-VNTMZGSJSA-N 0 0 463.667 4.736 20 0 JJADRN CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)OC ZINC001545759278 1067041340 /nfs/dbraw/zinc/04/13/40/1067041340.db2.gz VTUMHGSIXDNFMT-NQHRYMMQSA-N 0 0 481.685 4.862 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC001450009408 1067041541 /nfs/dbraw/zinc/04/15/41/1067041541.db2.gz SQJHDLJHVGCNPU-CABCVRRESA-N 0 0 458.477 4.738 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C[C@@H]3C)c2)c1 ZINC001450011067 1067041691 /nfs/dbraw/zinc/04/16/91/1067041691.db2.gz UJFZWKRYOPVKJQ-WMZOPIPTSA-N 0 0 454.514 4.907 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)[C@H]3N(C(=O)OCc4ccccc4)CC3(C)C)C2)cc1 ZINC001450011529 1067041743 /nfs/dbraw/zinc/04/17/43/1067041743.db2.gz OSLWEKHAKBIYAJ-ISKFKSNPSA-N 0 0 450.579 4.524 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2Cc2nc(C(F)(F)F)cs2)CCO1 ZINC001546099725 1067041755 /nfs/dbraw/zinc/04/17/55/1067041755.db2.gz LNQYJGYOZKJQHI-OAQYLSRUSA-N 0 0 481.544 4.694 20 0 JJADRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc(Br)nc(Br)c1 ZINC001458358523 1067041843 /nfs/dbraw/zinc/04/18/43/1067041843.db2.gz MUKNBLCTLKKQHN-UHFFFAOYSA-N 0 0 458.541 4.882 20 0 JJADRN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001458359050 1067041855 /nfs/dbraw/zinc/04/18/55/1067041855.db2.gz MYPNYUVDFAMWKJ-QGPMSJSTSA-N 0 0 457.621 4.617 20 0 JJADRN Cc1cc(Br)cc2cc([C@@H](C(C)C)N(C)C(=O)c3nc4nccc(C)n4n3)oc21 ZINC001458360376 1067042174 /nfs/dbraw/zinc/04/21/74/1067042174.db2.gz UJLARZLJLCYKMQ-QGZVFWFLSA-N 0 0 456.344 4.719 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC001450023606 1067042253 /nfs/dbraw/zinc/04/22/53/1067042253.db2.gz GAGKMUUIHNZZEM-JOCHJYFZSA-N 0 0 456.464 4.836 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458364234 1067042624 /nfs/dbraw/zinc/04/26/24/1067042624.db2.gz IZWNGFRTPZLAMT-KSEUIEODSA-N 0 0 456.823 4.703 20 0 JJADRN O=C(N[C@H](c1ccccc1)C(F)F)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450027007 1067042633 /nfs/dbraw/zinc/04/26/33/1067042633.db2.gz WALGPCFSFKJXQE-LJQANCHMSA-N 0 0 452.429 4.502 20 0 JJADRN O=C(Nc1cccc(C2CC(=O)NC(=O)C2)c1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001450025846 1067042738 /nfs/dbraw/zinc/04/27/38/1067042738.db2.gz BAZQHTVHBZIPCQ-UHFFFAOYSA-N 0 0 459.449 4.601 20 0 JJADRN O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001450025798 1067042813 /nfs/dbraw/zinc/04/28/13/1067042813.db2.gz ILDQAJFHOKTWSQ-AKHDSKFASA-N 0 0 454.286 4.594 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CCOC)CC2)n1C[C@@H]1CCCCC(F)(F)C1)c1ccccc1 ZINC001545759550 1067042765 /nfs/dbraw/zinc/04/27/65/1067042765.db2.gz ZLFVXXDQERVCPV-FYYLOGMGSA-N 0 0 475.628 4.804 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCOC1CCCCCC1)c1ccccc1 ZINC001545759569 1067043297 /nfs/dbraw/zinc/04/32/97/1067043297.db2.gz ZPLAXPZUXFFOOZ-VWLOTQADSA-N 0 0 481.685 4.864 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545760734 1067043508 /nfs/dbraw/zinc/04/35/08/1067043508.db2.gz HVSHEPLXILJTNW-ZWKOTPCHSA-N 0 0 465.545 4.709 20 0 JJADRN CC[C@H](c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545760694 1067043732 /nfs/dbraw/zinc/04/37/32/1067043732.db2.gz HMCOLDKUINYQLK-SFTDATJTSA-N 0 0 492.590 4.745 20 0 JJADRN CC[C@@H](c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545760692 1067043764 /nfs/dbraw/zinc/04/37/64/1067043764.db2.gz HMCOLDKUINYQLK-NHCUHLMSSA-N 0 0 492.590 4.745 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1nc(C)c(C)s1)c1ccccc1 ZINC001545760732 1067043897 /nfs/dbraw/zinc/04/38/97/1067043897.db2.gz HVSHEPLXILJTNW-QZTJIDSGSA-N 0 0 465.545 4.709 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046637 1067044263 /nfs/dbraw/zinc/04/42/63/1067044263.db2.gz JRWRJPMLEXXCOE-HKUYNNGSSA-N 0 0 451.405 4.630 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Oc3cc(Cl)cnc3Br)CC2=O)cc1 ZINC001458371112 1067044476 /nfs/dbraw/zinc/04/44/76/1067044476.db2.gz UMCWRGCUIOPGHI-AWEZNQCLSA-N 0 0 451.748 4.799 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)c1N ZINC001450046706 1067044664 /nfs/dbraw/zinc/04/46/64/1067044664.db2.gz KUEMREDTORDABT-UHFFFAOYSA-N 0 0 451.386 4.617 20 0 JJADRN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@H](CO)c1ccc(Cl)cc1 ZINC001450057086 1067045384 /nfs/dbraw/zinc/04/53/84/1067045384.db2.gz SGQLSXZDYWETRB-QGZVFWFLSA-N 0 0 453.695 4.702 20 0 JJADRN CN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC001450058404 1067045399 /nfs/dbraw/zinc/04/53/99/1067045399.db2.gz XOISRKIAZRHBMY-GOSISDBHSA-N 0 0 450.004 4.658 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnccn1)Oc1cccc(F)c1 ZINC001546019187 1067045493 /nfs/dbraw/zinc/04/54/93/1067045493.db2.gz PMXFRPLRVWBLEE-MDNUFGMLSA-N 0 0 482.604 4.620 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545761855 1067046018 /nfs/dbraw/zinc/04/60/18/1067046018.db2.gz YAWPCKFKCNQIFQ-PMACEKPBSA-N 0 0 488.558 4.733 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(CC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545762956 1067046116 /nfs/dbraw/zinc/04/61/16/1067046116.db2.gz AJIQSBLVGFPARA-KCWPFWIISA-N 0 0 467.658 4.618 20 0 JJADRN CC(C)(C(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1csc(-c2c(F)cccc2F)n1 ZINC001458377179 1067046210 /nfs/dbraw/zinc/04/62/10/1067046210.db2.gz NMNBEBVUXQHILU-OAHLLOKOSA-N 0 0 450.551 4.948 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC001450065345 1067046383 /nfs/dbraw/zinc/04/63/83/1067046383.db2.gz MIOVTRRHBUFLMS-JOCHJYFZSA-N 0 0 453.539 4.553 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)[C@H]2C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545763029 1067046493 /nfs/dbraw/zinc/04/64/93/1067046493.db2.gz BIRYQWOCVITYAQ-CTNGQTDRSA-N 0 0 492.611 4.655 20 0 JJADRN COc1ccc(C[C@@H](CO)CNc2ncc(C(F)(F)F)cc2Cl)cc1Br ZINC001458380664 1067046550 /nfs/dbraw/zinc/04/65/50/1067046550.db2.gz UVJGVGBQOVWKHF-LLVKDONJSA-N 0 0 453.686 4.788 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Br)cc3)n2CCCC(F)(F)F)CCO1 ZINC001546099941 1067046765 /nfs/dbraw/zinc/04/67/65/1067046765.db2.gz PTDFQIZLWHPTDV-LJQANCHMSA-N 0 0 491.352 4.967 20 0 JJADRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccc(OC(C)(C)C)nc4)cc3C2=O)c1 ZINC001458381677 1067047004 /nfs/dbraw/zinc/04/70/04/1067047004.db2.gz MTFJFPRHKDOYFS-UHFFFAOYSA-N 0 0 457.530 4.606 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)C2)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545763252 1067047005 /nfs/dbraw/zinc/04/70/05/1067047005.db2.gz FPSSQVPNSQSGRZ-PXNSSMCTSA-N 0 0 455.628 4.647 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545763367 1067047147 /nfs/dbraw/zinc/04/71/47/1067047147.db2.gz HNXBRZIADRYKBF-DCEDVJGZSA-N 0 0 454.640 4.795 20 0 JJADRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001450066802 1067047124 /nfs/dbraw/zinc/04/71/24/1067047124.db2.gz YXHMNWJRPHVZKK-ROUUACIJSA-N 0 0 458.578 4.862 20 0 JJADRN COc1ccc(-n2nnc(C(=O)Nc3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c2C)cc1 ZINC001458387058 1067047734 /nfs/dbraw/zinc/04/77/34/1067047734.db2.gz WWKUOYBFGJBHPM-UHFFFAOYSA-N 0 0 457.321 4.638 20 0 JJADRN O=C(c1cnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001450079051 1067048069 /nfs/dbraw/zinc/04/80/69/1067048069.db2.gz NPWMDTFDVJUCFQ-GOSISDBHSA-N 0 0 453.823 4.897 20 0 JJADRN CC[C@H](c1nnc(N2CCOC[C@H]2C)n1CCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001545763858 1067048059 /nfs/dbraw/zinc/04/80/59/1067048059.db2.gz NUPPLTOCQGITAU-NQIIRXRSSA-N 0 0 488.558 4.961 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1nc2cc(Br)cnc2[nH]1 ZINC001450079247 1067048202 /nfs/dbraw/zinc/04/82/02/1067048202.db2.gz QSTXNMNNEPNIJV-UHFFFAOYSA-N 0 0 454.762 4.740 20 0 JJADRN Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c(C)c1 ZINC001450080964 1067048655 /nfs/dbraw/zinc/04/86/55/1067048655.db2.gz MZIRJAPXHXWDBM-NZQKXSOJSA-N 0 0 452.570 4.972 20 0 JJADRN Cc1nc(Br)ccc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001458388852 1067048893 /nfs/dbraw/zinc/04/88/93/1067048893.db2.gz STOADCDLDCIULH-HNNXBMFYSA-N 0 0 452.324 4.539 20 0 JJADRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)C1=O ZINC001450085453 1067049009 /nfs/dbraw/zinc/04/90/09/1067049009.db2.gz ZRGOPZXPTHEFSL-DKLXNKCPSA-N 0 0 454.586 4.805 20 0 JJADRN C[C@H](NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(Br)c1 ZINC001450094832 1067049091 /nfs/dbraw/zinc/04/90/91/1067049091.db2.gz ICDZKBNICLQXLK-IBNJYYFUSA-N 0 0 455.368 4.945 20 0 JJADRN C[C@@H](NC(=O)CSCC(=O)N(C)C1CCCCC1)c1ccccc1OCc1ccccc1 ZINC001458390685 1067049127 /nfs/dbraw/zinc/04/91/27/1067049127.db2.gz GUKNERONWIPRDF-HXUWFJFHSA-N 0 0 454.636 4.967 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC/C=C\c3ccc(Br)cc3)C2)c1 ZINC001450103512 1067049166 /nfs/dbraw/zinc/04/91/66/1067049166.db2.gz BYRNQBZUZAZODK-ORUDLHBZSA-N 0 0 456.384 4.831 20 0 JJADRN CC[C@@H](c1nnc(N2CCOCC3(CC3)C2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545764681 1067049347 /nfs/dbraw/zinc/04/93/47/1067049347.db2.gz ZTPFQFASCMDIKM-JOCHJYFZSA-N 0 0 483.657 4.694 20 0 JJADRN COc1ccc(-c2csc(NC(=O)c3c(Br)nc4n3CCC4)n2)cc1Cl ZINC001545764722 1067049439 /nfs/dbraw/zinc/04/94/39/1067049439.db2.gz AQXQQHXVOCUHSW-UHFFFAOYSA-N 0 0 453.749 4.630 20 0 JJADRN CN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458393405 1067049847 /nfs/dbraw/zinc/04/98/47/1067049847.db2.gz KICDOQGTJDGEHD-FXAWDEMLSA-N 0 0 459.443 4.799 20 0 JJADRN COc1cc(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc1Cl ZINC001450113042 1067050703 /nfs/dbraw/zinc/05/07/03/1067050703.db2.gz JXNSWEMRJUNMNJ-LJQANCHMSA-N 0 0 453.366 4.927 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC001458396684 1067050978 /nfs/dbraw/zinc/05/09/78/1067050978.db2.gz OTTAMCUIWVYPKZ-JXFKEZNVSA-N 0 0 450.348 4.814 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](OC)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545766101 1067051057 /nfs/dbraw/zinc/05/10/57/1067051057.db2.gz MWAPNGGLOBQGJH-HJNYFJLDSA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@H](c1nnc(N2CCS[C@@H](C)C2)n1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC001545766061 1067051071 /nfs/dbraw/zinc/05/10/71/1067051071.db2.gz MJEVAGITZCVYBO-RDJZCZTQSA-N 0 0 460.541 4.679 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545765992 1067051218 /nfs/dbraw/zinc/05/12/18/1067051218.db2.gz LDNYLDOSBMNHRB-QDSKXPNFSA-N 0 0 495.668 4.594 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC001458396707 1067051165 /nfs/dbraw/zinc/05/11/65/1067051165.db2.gz OTTAMCUIWVYPKZ-OXJNMPFZSA-N 0 0 450.348 4.814 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 ZINC001458396672 1067051229 /nfs/dbraw/zinc/05/12/29/1067051229.db2.gz SZCPPJPOLZLAGW-CJFMBICVSA-N 0 0 458.558 4.756 20 0 JJADRN CCC(CC)[C@@H]1C[C@H](NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)CCO1 ZINC001458397239 1067051433 /nfs/dbraw/zinc/05/14/33/1067051433.db2.gz LQCDGCIXVIAZIK-AABGKKOBSA-N 0 0 458.521 4.724 20 0 JJADRN Ic1cccc(C[C@H]2CCN(c3nccc(Oc4ccccc4)n3)C2)c1 ZINC001458397716 1067051465 /nfs/dbraw/zinc/05/14/65/1067051465.db2.gz HASFPIXTBXCERU-QGZVFWFLSA-N 0 0 457.315 4.943 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1)c1ccccc1 ZINC001545766145 1067051439 /nfs/dbraw/zinc/05/14/39/1067051439.db2.gz NGPXQPDGPOMDCX-CEWLAPEOSA-N 0 0 471.671 4.677 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398068 1067051499 /nfs/dbraw/zinc/05/14/99/1067051499.db2.gz WTQADQGFTUGKOV-WOJBJXKFSA-N 0 0 453.526 4.836 20 0 JJADRN CC[C@@H](c1nnc(N2CCOCC3(CCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545766305 1067051671 /nfs/dbraw/zinc/05/16/71/1067051671.db2.gz PSUPHDDBUVMSQY-IFMALSPDSA-N 0 0 483.657 4.740 20 0 JJADRN CC[C@@H](c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCCN1CCCCC1=O)c1ccccc1 ZINC001545766401 1067052121 /nfs/dbraw/zinc/05/21/21/1067052121.db2.gz ROVYLFZIHRKOMX-DHIUTWEWSA-N 0 0 469.699 4.800 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001458398669 1067052102 /nfs/dbraw/zinc/05/21/02/1067052102.db2.gz SCOQRMQATHKHIR-IBGZPJMESA-N 0 0 459.333 4.919 20 0 JJADRN CC[C@@H](c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1cccnc1OCCOC)c1ccccc1 ZINC001545766627 1067052337 /nfs/dbraw/zinc/05/23/37/1067052337.db2.gz WPIXFDRZWGPUBZ-MIZPHKNDSA-N 0 0 481.666 4.619 20 0 JJADRN C[C@@H]1CN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450137566 1067052503 /nfs/dbraw/zinc/05/25/03/1067052503.db2.gz HJSKNMUJHJTXOW-NIKGAXFTSA-N 0 0 454.489 4.607 20 0 JJADRN C[C@@H]1CN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450137565 1067052661 /nfs/dbraw/zinc/05/26/61/1067052661.db2.gz HJSKNMUJHJTXOW-MDASCCDHSA-N 0 0 454.489 4.607 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450139140 1067052940 /nfs/dbraw/zinc/05/29/40/1067052940.db2.gz IBUSEIMJDOKYGR-IERDGZPVSA-N 0 0 451.460 4.881 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC001450138917 1067052996 /nfs/dbraw/zinc/05/29/96/1067052996.db2.gz HSIZNSUXCGEYPY-MLGOLLRUSA-N 0 0 457.374 4.974 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCN1CCOCC1(C)C)c1ccccc1 ZINC001545768004 1067053267 /nfs/dbraw/zinc/05/32/67/1067053267.db2.gz KWBASBPRTHUAFD-RZUBCFFCSA-N 0 0 475.628 4.658 20 0 JJADRN CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C)SC ZINC001545767875 1067053515 /nfs/dbraw/zinc/05/35/15/1067053515.db2.gz IORLYIABJKZRID-UHFFFAOYSA-N 0 0 461.651 4.990 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC001458405290 1067053662 /nfs/dbraw/zinc/05/36/62/1067053662.db2.gz KRYHQWKENJFPNF-CABCVRRESA-N 0 0 457.434 4.693 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001546019646 1067053937 /nfs/dbraw/zinc/05/39/37/1067053937.db2.gz ZNYXQWWKKJYGJZ-SIKLNZKXSA-N 0 0 460.594 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccc(OCC(F)(F)F)cc3)cc2C1 ZINC001458407196 1067054076 /nfs/dbraw/zinc/05/40/76/1067054076.db2.gz JOEPDFINCFBLPX-UHFFFAOYSA-N 0 0 451.445 4.568 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCCOC(F)(F)F)c1ccccc1 ZINC001545768257 1067053998 /nfs/dbraw/zinc/05/39/98/1067053998.db2.gz QILMDUHZBRUISX-YSTOQKLRSA-N 0 0 452.521 4.608 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C(F)(F)F)n[nH]2)c1 ZINC001546019793 1067054490 /nfs/dbraw/zinc/05/44/90/1067054490.db2.gz FNSUBQZPHCHKDU-UHFFFAOYSA-N 0 0 457.412 4.551 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545768486 1067054544 /nfs/dbraw/zinc/05/45/44/1067054544.db2.gz XLNRXJXQWOKUQJ-BPQIPLTHSA-N 0 0 477.497 4.949 20 0 JJADRN CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC001545768594 1067054611 /nfs/dbraw/zinc/05/46/11/1067054611.db2.gz ZSZZOSPHAOZULF-LJQANCHMSA-N 0 0 485.514 4.876 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)c2)CCO1 ZINC001546100330 1067054588 /nfs/dbraw/zinc/05/45/88/1067054588.db2.gz XALQBFSMFQQXGH-HHHXNRCGSA-N 0 0 480.657 4.526 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001450153551 1067055003 /nfs/dbraw/zinc/05/50/03/1067055003.db2.gz HEHFZEVQYSVEIS-SJLPKXTDSA-N 0 0 457.061 4.776 20 0 JJADRN Cc1sc(C2(NC(=O)CNC(=O)c3cccc(Cl)c3)CCC2)nc1-c1ccccc1F ZINC001450156706 1067055434 /nfs/dbraw/zinc/05/54/34/1067055434.db2.gz DVYBNSARUYQTPP-UHFFFAOYSA-N 0 0 457.958 4.836 20 0 JJADRN CCC(CC)(Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1)SC ZINC001545770052 1067056127 /nfs/dbraw/zinc/05/61/27/1067056127.db2.gz SYRYLFCSMMPOIW-XMMPIXPASA-N 0 0 471.671 4.686 20 0 JJADRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(Br)cnc1Br ZINC001545770489 1067056267 /nfs/dbraw/zinc/05/62/67/1067056267.db2.gz JWJRBJRTTVNNTO-UHFFFAOYSA-N 0 0 455.131 4.688 20 0 JJADRN O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001450161115 1067056540 /nfs/dbraw/zinc/05/65/40/1067056540.db2.gz ZXKBICXXAOKRBT-LJQANCHMSA-N 0 0 455.480 4.512 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)c3ccccc3C)cc2)cc1 ZINC001450165463 1067056797 /nfs/dbraw/zinc/05/67/97/1067056797.db2.gz YVCDOEHLWUFAPE-UHFFFAOYSA-N 0 0 452.576 4.860 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001450168689 1067056945 /nfs/dbraw/zinc/05/69/45/1067056945.db2.gz CEXCULKSRWCETD-JXFKEZNVSA-N 0 0 452.617 4.671 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001458421498 1067056965 /nfs/dbraw/zinc/05/69/65/1067056965.db2.gz BQJVDYHVNWTZDG-UHFFFAOYSA-N 0 0 451.119 4.850 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)SC ZINC001545771064 1067057222 /nfs/dbraw/zinc/05/72/22/1067057222.db2.gz DYIIKXAJPIXLCJ-UHFFFAOYSA-N 0 0 450.052 4.514 20 0 JJADRN CC(C)n1cc(C2=CCCN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)CC2)nn1 ZINC001450179030 1067057308 /nfs/dbraw/zinc/05/73/08/1067057308.db2.gz IVRLXBGJIFXDSG-UHFFFAOYSA-N 0 0 453.974 4.818 20 0 JJADRN C[C@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccc(F)cc1Cl ZINC001450172628 1067057407 /nfs/dbraw/zinc/05/74/07/1067057407.db2.gz QTXQITXFQIZHFB-WMLDXEAASA-N 0 0 450.942 4.739 20 0 JJADRN CCN(CC(C)=O)C(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450174845 1067057479 /nfs/dbraw/zinc/05/74/79/1067057479.db2.gz QVSHSXNWNZENNQ-UHFFFAOYSA-N 0 0 450.579 4.767 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CCC[C@H](c3ccccn3)C2)cs1 ZINC001450183017 1067057848 /nfs/dbraw/zinc/05/78/48/1067057848.db2.gz PJDSSGWNGARUSR-AWEZNQCLSA-N 0 0 458.381 4.996 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)cc2)c(OC)c1 ZINC001450179459 1067057911 /nfs/dbraw/zinc/05/79/11/1067057911.db2.gz CTTJBBRNOSTYQG-ROUUACIJSA-N 0 0 453.583 4.555 20 0 JJADRN Cc1nc2sc(-c3ccccc3)cc2c(NCc2cccc(S(=O)(=O)NC(C)C)c2)n1 ZINC001458427511 1067058036 /nfs/dbraw/zinc/05/80/36/1067058036.db2.gz NPVOHPJKUUSCOQ-UHFFFAOYSA-N 0 0 452.605 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2c2cc(Cl)nc([C@H]3CCCO3)n2)C1 ZINC001458426063 1067058131 /nfs/dbraw/zinc/05/81/31/1067058131.db2.gz HAQAENXRPPQQAM-OKZBNKHCSA-N 0 0 451.011 4.988 20 0 JJADRN COCc1cc(N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)nc(C(C)(C)C)n1 ZINC001458427967 1067058495 /nfs/dbraw/zinc/05/84/95/1067058495.db2.gz GYWONORQZXDHFX-AZUAARDMSA-N 0 0 458.578 4.557 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccc1C)OC ZINC001545771453 1067058434 /nfs/dbraw/zinc/05/84/34/1067058434.db2.gz PQYZTSAKWQGYDH-UHFFFAOYSA-N 0 0 498.697 4.697 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(OC(F)F)cn1 ZINC001450191798 1067058387 /nfs/dbraw/zinc/05/83/87/1067058387.db2.gz HRGDDBGQQNGHIT-UHFFFAOYSA-N 0 0 458.852 4.904 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCCO)CC1)SC ZINC001545771442 1067058538 /nfs/dbraw/zinc/05/85/38/1067058538.db2.gz PIPXPLBDWURTOZ-UHFFFAOYSA-N 0 0 484.508 4.946 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(F)cc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001450193341 1067058701 /nfs/dbraw/zinc/05/87/01/1067058701.db2.gz HXDFFWQSNVWRJH-QFIPXVFZSA-N 0 0 458.530 4.767 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C)SC ZINC001545771542 1067058841 /nfs/dbraw/zinc/05/88/41/1067058841.db2.gz SAMJNHYQBINKDJ-AZUAARDMSA-N 0 0 473.687 4.624 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1)SC ZINC001545771531 1067058954 /nfs/dbraw/zinc/05/89/54/1067058954.db2.gz RLORGZDBRIRGKM-UYAOXDASSA-N 0 0 487.649 4.912 20 0 JJADRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001450195752 1067058910 /nfs/dbraw/zinc/05/89/10/1067058910.db2.gz IJFGKAWIYCENPO-SFHVURJKSA-N 0 0 455.640 4.661 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2cnn(C3CCOCC3)c2C)nnc1-c1ccccc1 ZINC001450195880 1067058945 /nfs/dbraw/zinc/05/89/45/1067058945.db2.gz JXSCWFMDKSBUBB-MRXNPFEDSA-N 0 0 454.600 4.503 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)cc1 ZINC001450198223 1067059267 /nfs/dbraw/zinc/05/92/67/1067059267.db2.gz OJEVAMMYQXSNCE-JOCHJYFZSA-N 0 0 458.396 4.852 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OC)C1)SC ZINC001545771642 1067059392 /nfs/dbraw/zinc/05/93/92/1067059392.db2.gz VWMGRBBJPHTNKF-INIZCTEOSA-N 0 0 470.481 4.583 20 0 JJADRN Cc1nc2cc(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001450199025 1067059412 /nfs/dbraw/zinc/05/94/12/1067059412.db2.gz OPXHHIHGNPNHBD-MRXNPFEDSA-N 0 0 456.612 4.878 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)c2c1C ZINC001450201897 1067059752 /nfs/dbraw/zinc/05/97/52/1067059752.db2.gz SDEDTFFTSASTLW-ZDUSSCGKSA-N 0 0 452.646 4.600 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)C1)SC ZINC001545772521 1067060560 /nfs/dbraw/zinc/06/05/60/1067060560.db2.gz CMSDDAAJSCJKNI-CYBMUJFWSA-N 0 0 458.495 4.899 20 0 JJADRN CCC(O)(CC)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(C1)CCCCC2 ZINC001546020793 1067061121 /nfs/dbraw/zinc/06/11/21/1067061121.db2.gz PPRBDZSXFWALLQ-UHFFFAOYSA-N 0 0 453.631 4.859 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC2(c3ccccc3Cl)CCCCC2)no1 ZINC001458442358 1067061461 /nfs/dbraw/zinc/06/14/61/1067061461.db2.gz ONZITZAJXGAQON-MRXNPFEDSA-N 0 0 450.004 4.715 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1)OC ZINC001545772671 1067061505 /nfs/dbraw/zinc/06/15/05/1067061505.db2.gz HZLPJVZTLQFJIE-JOCHJYFZSA-N 0 0 487.048 4.522 20 0 JJADRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1c(O)ccc(Br)c1C ZINC001450227735 1067061629 /nfs/dbraw/zinc/06/16/29/1067061629.db2.gz GWXIOWVBYBKPIK-UHFFFAOYSA-N 0 0 453.340 4.847 20 0 JJADRN Cn1cc([C@@H]2CN(C(=O)c3cccnc3Oc3ccc(Br)cc3)CC2(C)C)cn1 ZINC001450230869 1067062088 /nfs/dbraw/zinc/06/20/88/1067062088.db2.gz LWWLJJBQJDQDEZ-IBGZPJMESA-N 0 0 455.356 4.636 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCCCCC1)OC ZINC001545772852 1067062219 /nfs/dbraw/zinc/06/22/19/1067062219.db2.gz ONZVXVZFSPNEHD-UHFFFAOYSA-N 0 0 460.619 4.947 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC2(C1)CCOCC2)OC ZINC001545772903 1067062659 /nfs/dbraw/zinc/06/26/59/1067062659.db2.gz QEYSQKHOWIREQT-UHFFFAOYSA-N 0 0 483.476 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)CC12CCC2 ZINC001450236818 1067063049 /nfs/dbraw/zinc/06/30/49/1067063049.db2.gz KSFNABQVRKUYMJ-HXUWFJFHSA-N 0 0 451.567 4.713 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1)SC ZINC001545773033 1067063047 /nfs/dbraw/zinc/06/30/47/1067063047.db2.gz UIBJEVKOHRJOAZ-UHFFFAOYSA-N 0 0 450.052 4.612 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](COC)C1)SC ZINC001545772985 1067063065 /nfs/dbraw/zinc/06/30/65/1067063065.db2.gz SKMLQEOQVCRFBE-SFHVURJKSA-N 0 0 454.644 4.730 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001450241911 1067063349 /nfs/dbraw/zinc/06/33/49/1067063349.db2.gz UQARUELWDHFMRO-QGZVFWFLSA-N 0 0 451.832 4.922 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001458447782 1067063724 /nfs/dbraw/zinc/06/37/24/1067063724.db2.gz WREWKGTWTVCMJB-FQEVSTJZSA-N 0 0 453.023 4.976 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cc(C)on1)OC ZINC001545773998 1067064378 /nfs/dbraw/zinc/06/43/78/1067064378.db2.gz APMVIIGTJZKUCB-UHFFFAOYSA-N 0 0 492.418 4.854 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545774059 1067064701 /nfs/dbraw/zinc/06/47/01/1067064701.db2.gz CJXPPKYBQZYPJV-GHTZIAJQSA-N 0 0 487.645 4.508 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)[nH]c(C)c1C(C)=O ZINC001450256141 1067064870 /nfs/dbraw/zinc/06/48/70/1067064870.db2.gz LSRSUALLWQPBDZ-VQTJNVASSA-N 0 0 459.631 4.978 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1)OC ZINC001545774129 1067065078 /nfs/dbraw/zinc/06/50/78/1067065078.db2.gz FAMUILCFWUVJFD-UHFFFAOYSA-N 0 0 455.647 4.540 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001450260996 1067065819 /nfs/dbraw/zinc/06/58/19/1067065819.db2.gz BAPPBWIFOGBFJW-KGLIPLIRSA-N 0 0 455.755 4.746 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)OC ZINC001545774231 1067065705 /nfs/dbraw/zinc/06/57/05/1067065705.db2.gz HTPVMZAMNACIQR-MRXNPFEDSA-N 0 0 494.467 4.952 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1)OC ZINC001545774215 1067065734 /nfs/dbraw/zinc/06/57/34/1067065734.db2.gz HLHPJEYERREJGV-UZLBHIALSA-N 0 0 451.011 4.674 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@@H](C)C1)OC ZINC001545774283 1067065901 /nfs/dbraw/zinc/06/59/01/1067065901.db2.gz KBEJZEAALRMGON-HNNXBMFYSA-N 0 0 469.399 4.667 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1)SC ZINC001545774293 1067066054 /nfs/dbraw/zinc/06/60/54/1067066054.db2.gz KGDWTFJTKWDEDS-JOCHJYFZSA-N 0 0 481.062 4.525 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1 ZINC001450263304 1067066040 /nfs/dbraw/zinc/06/60/40/1067066040.db2.gz ZKYYZTUYKVVXNW-LJQANCHMSA-N 0 0 452.576 4.903 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCC[C@@H]([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C3)c2)cn1 ZINC001450262854 1067066075 /nfs/dbraw/zinc/06/60/75/1067066075.db2.gz XUVKOAPBGDFIRO-FGZHOGPDSA-N 0 0 452.599 4.586 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1)SC ZINC001545774373 1067066459 /nfs/dbraw/zinc/06/64/59/1067066459.db2.gz NADXOLYQUJBACZ-LJQANCHMSA-N 0 0 478.106 4.679 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)SC ZINC001545774372 1067066576 /nfs/dbraw/zinc/06/65/76/1067066576.db2.gz NADXOLYQUJBACZ-IBGZPJMESA-N 0 0 478.106 4.679 20 0 JJADRN C[C@H](NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)c1ccc(C(F)(F)F)nc1Cl ZINC001450265833 1067066458 /nfs/dbraw/zinc/06/64/58/1067066458.db2.gz CCVLERKJKHAUBO-NSHDSACASA-N 0 0 458.868 4.665 20 0 JJADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC001450267359 1067066539 /nfs/dbraw/zinc/06/65/39/1067066539.db2.gz FJPQDGRAMCEUDN-DYVFJYSZSA-N 0 0 457.880 4.882 20 0 JJADRN C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001450264512 1067066552 /nfs/dbraw/zinc/06/65/52/1067066552.db2.gz NOYMWGAYSQOGGF-HNNXBMFYSA-N 0 0 459.775 4.639 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001545774410 1067066765 /nfs/dbraw/zinc/06/67/65/1067066765.db2.gz OIJUKBJRHZWGMF-UHFFFAOYSA-N 0 0 468.520 4.507 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CC[C@@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001450269636 1067067060 /nfs/dbraw/zinc/06/70/60/1067067060.db2.gz DUPZOXGJZORDFO-FXAWDEMLSA-N 0 0 457.596 4.680 20 0 JJADRN C[C@@H](NC(=O)CSc1nccn1Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001450272866 1067067412 /nfs/dbraw/zinc/06/74/12/1067067412.db2.gz NTSNTGSDWCCEHO-CYBMUJFWSA-N 0 0 454.905 4.968 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)OCc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC001458456070 1067067641 /nfs/dbraw/zinc/06/76/41/1067067641.db2.gz LTXAHCOZOOEANY-SFHVURJKSA-N 0 0 457.477 4.502 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1)OC ZINC001545774592 1067067699 /nfs/dbraw/zinc/06/76/99/1067067699.db2.gz UWLBBBCDDUXDQC-UHFFFAOYSA-N 0 0 499.059 4.836 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSCC1)OC ZINC001545774662 1067067948 /nfs/dbraw/zinc/06/79/48/1067067948.db2.gz XJPKXJFEJZISFB-UHFFFAOYSA-N 0 0 453.450 4.774 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)C[C@H]1CSc2ccccc2O1)Cc1ccccc1 ZINC001450274116 1067067872 /nfs/dbraw/zinc/06/78/72/1067067872.db2.gz IKPIUWYFGMAHDY-PMACEKPBSA-N 0 0 456.608 4.524 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC001546021299 1067067999 /nfs/dbraw/zinc/06/79/99/1067067999.db2.gz DJCCUCCEIOZLKC-RPBOFIJWSA-N 0 0 450.623 4.999 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1)OC ZINC001545774708 1067068310 /nfs/dbraw/zinc/06/83/10/1067068310.db2.gz YQUKARCSAULRFU-SFHVURJKSA-N 0 0 495.411 4.726 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC001546101004 1067068328 /nfs/dbraw/zinc/06/83/28/1067068328.db2.gz QFSRNVZYHDOWHD-UHFFFAOYSA-N 0 0 454.495 4.636 20 0 JJADRN O=C(CCCc1ccccc1Br)N1CC(=O)Nc2ccc(Br)cc21 ZINC001458457869 1067068470 /nfs/dbraw/zinc/06/84/70/1067068470.db2.gz QVZUNFQCNPDJFF-UHFFFAOYSA-N 0 0 452.146 4.520 20 0 JJADRN CN(C)c1ccc(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1F ZINC001458459119 1067068553 /nfs/dbraw/zinc/06/85/53/1067068553.db2.gz BOALTVHOHRGKSX-UHFFFAOYSA-N 0 0 450.135 4.770 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c1 ZINC001450280574 1067068818 /nfs/dbraw/zinc/06/88/18/1067068818.db2.gz WUKOHFDRPMMULD-ZETCQYMHSA-N 0 0 452.658 4.598 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545775655 1067069187 /nfs/dbraw/zinc/06/91/87/1067069187.db2.gz GJBBNFFCUXULED-HXUWFJFHSA-N 0 0 471.646 4.844 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCCc2csc(C(C)(C)C)n2)cc1 ZINC001458465057 1067069181 /nfs/dbraw/zinc/06/91/81/1067069181.db2.gz AHCVVNJUZJOOBO-HDICACEKSA-N 0 0 457.640 4.581 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001450289606 1067069457 /nfs/dbraw/zinc/06/94/57/1067069457.db2.gz ZEDSPMGTUHBBHL-ICSRJNTNSA-N 0 0 459.587 4.529 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)cc(C)c1OCc1cccnc1 ZINC001450291134 1067069473 /nfs/dbraw/zinc/06/94/73/1067069473.db2.gz FWDOGYNJTZBDMT-UHFFFAOYSA-N 0 0 457.574 4.541 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545775776 1067069637 /nfs/dbraw/zinc/06/96/37/1067069637.db2.gz KHGJVOMNEAKIAL-SFHVURJKSA-N 0 0 489.686 4.979 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)c1 ZINC001458466808 1067069724 /nfs/dbraw/zinc/06/97/24/1067069724.db2.gz GXLDGIFDPWOSTQ-UHFFFAOYSA-N 0 0 451.032 4.595 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC001450295418 1067069936 /nfs/dbraw/zinc/06/99/36/1067069936.db2.gz UKEOHLYUDNHKQE-OAQYLSRUSA-N 0 0 455.352 4.699 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001450304324 1067070403 /nfs/dbraw/zinc/07/04/03/1067070403.db2.gz KXTWTFKRAQSRFC-LBPRGKRZSA-N 0 0 450.288 4.961 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299678 1067070436 /nfs/dbraw/zinc/07/04/36/1067070436.db2.gz SNAJUHKFRMJRPN-QHCPKHFHSA-N 0 0 457.018 4.806 20 0 JJADRN COC(=O)c1cc2cccc(NC(=O)c3cnc4ccc(Br)cc4c3O)c2s1 ZINC001450305008 1067070502 /nfs/dbraw/zinc/07/05/02/1067070502.db2.gz YOWXLCCNFWCAHW-UHFFFAOYSA-N 0 0 457.305 4.544 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)NC[C@H](O)Cc3cccc(F)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001450301182 1067070586 /nfs/dbraw/zinc/07/05/86/1067070586.db2.gz SKGSSOVBJIBKMT-RUZDIDTESA-N 0 0 457.549 4.688 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1COC(C)(C)OC1)OC ZINC001545776131 1067070686 /nfs/dbraw/zinc/07/06/86/1067070686.db2.gz WVMGHZMJJJEZDX-UHFFFAOYSA-N 0 0 467.614 4.534 20 0 JJADRN Cc1c2nnc(C(F)(F)F)n2nc(N[C@@H]2CSCc3ccc(Br)cc32)c1C ZINC001458473140 1067071147 /nfs/dbraw/zinc/07/11/47/1067071147.db2.gz HMTAXUSIOMPTFC-CYBMUJFWSA-N 0 0 458.307 4.922 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(C)c2)CC1)SC ZINC001545777621 1067071433 /nfs/dbraw/zinc/07/14/33/1067071433.db2.gz HZJBUBCWFGZBRM-UHFFFAOYSA-N 0 0 452.672 4.840 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545777607 1067071522 /nfs/dbraw/zinc/07/15/22/1067071522.db2.gz HDSIYGRENFLKFQ-QGZVFWFLSA-N 0 0 478.037 4.907 20 0 JJADRN O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc2cc(Br)sc2[nH]1 ZINC001450343616 1067071833 /nfs/dbraw/zinc/07/18/33/1067071833.db2.gz GVRTUWKTTDNAGH-UHFFFAOYSA-N 0 0 451.415 4.789 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001458477303 1067071802 /nfs/dbraw/zinc/07/18/02/1067071802.db2.gz PFMQYUKBANNMHT-ZDUSSCGKSA-N 0 0 458.506 4.643 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)=O)CC1)SC ZINC001545777729 1067072054 /nfs/dbraw/zinc/07/20/54/1067072054.db2.gz LBWNWUFLZKCJKU-UHFFFAOYSA-N 0 0 450.052 4.579 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)SC ZINC001545777736 1067072176 /nfs/dbraw/zinc/07/21/76/1067072176.db2.gz LFWWVULYBSVCDB-GOSISDBHSA-N 0 0 461.651 4.699 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001545777725 1067072210 /nfs/dbraw/zinc/07/22/10/1067072210.db2.gz KYTWOKOGRTVQCD-UHFFFAOYSA-N 0 0 472.996 4.664 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)Cc2cccc(OC(C)C)c2)nn1-c1ccccc1C(F)(F)F ZINC001458479014 1067072256 /nfs/dbraw/zinc/07/22/56/1067072256.db2.gz VFUXQQXFJYYDEM-UHFFFAOYSA-N 0 0 459.468 4.619 20 0 JJADRN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458479265 1067072416 /nfs/dbraw/zinc/07/24/16/1067072416.db2.gz JLFOTLQQXHYKAX-HXUWFJFHSA-N 0 0 459.855 4.734 20 0 JJADRN O=c1c(Cl)c(NCc2cccc(OC3CC3)c2F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458479924 1067072462 /nfs/dbraw/zinc/07/24/62/1067072462.db2.gz BUGCIZMLPZPMPF-UHFFFAOYSA-N 0 0 454.811 4.592 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545777920 1067072729 /nfs/dbraw/zinc/07/27/29/1067072729.db2.gz QERWIKUZJNGDMB-UHFFFAOYSA-N 0 0 453.612 4.706 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545777922 1067072841 /nfs/dbraw/zinc/07/28/41/1067072841.db2.gz QFOOMVAPJVUNHQ-LJQANCHMSA-N 0 0 454.619 4.660 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1)SC ZINC001545778008 1067073029 /nfs/dbraw/zinc/07/30/29/1067073029.db2.gz UDKMQXVFFIWXMF-OAQYLSRUSA-N 0 0 457.619 4.922 20 0 JJADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1(C)C ZINC001450356639 1067073136 /nfs/dbraw/zinc/07/31/36/1067073136.db2.gz AOXSQLLBHCGXNW-JXQFQVJHSA-N 0 0 452.542 4.557 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)Cc2ccccc21 ZINC001458481684 1067073140 /nfs/dbraw/zinc/07/31/40/1067073140.db2.gz NXFIEHUCGCDPRL-MRXNPFEDSA-N 0 0 459.461 4.565 20 0 JJADRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001450360162 1067073368 /nfs/dbraw/zinc/07/33/68/1067073368.db2.gz PHEVNONADCCXQK-GOSISDBHSA-N 0 0 456.951 4.897 20 0 JJADRN Cc1csc2nc(CC(=O)Nc3ccnn3Cc3ccc(SC(F)(F)F)cc3)cn12 ZINC001458482103 1067073235 /nfs/dbraw/zinc/07/32/35/1067073235.db2.gz MUXLTGDHXGNTND-UHFFFAOYSA-N 0 0 451.499 4.742 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccco1 ZINC001545778512 1067073432 /nfs/dbraw/zinc/07/34/32/1067073432.db2.gz JKHSJVCIKIWDGP-KRWDZBQOSA-N 0 0 459.365 4.972 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CCO1 ZINC001546101354 1067073475 /nfs/dbraw/zinc/07/34/75/1067073475.db2.gz BPYYCSVQZVJMMV-YNSGVOSJSA-N 0 0 496.574 4.991 20 0 JJADRN CN(C)c1cc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)ccn1 ZINC001458488813 1067073577 /nfs/dbraw/zinc/07/35/77/1067073577.db2.gz BDWTYJCQZFKOAT-UHFFFAOYSA-N 0 0 453.568 4.794 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1)SC ZINC001545779191 1067073624 /nfs/dbraw/zinc/07/36/24/1067073624.db2.gz GBBOBOZIIDPVCO-QFIPXVFZSA-N 0 0 467.639 4.848 20 0 JJADRN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450363028 1067073695 /nfs/dbraw/zinc/07/36/95/1067073695.db2.gz VQXDPPIVZJOIQQ-KRWDZBQOSA-N 0 0 458.486 4.522 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001546022187 1067073772 /nfs/dbraw/zinc/07/37/72/1067073772.db2.gz YNJUSUYHWDFYHL-REWPJTCUSA-N 0 0 458.986 4.801 20 0 JJADRN Cc1nc([C@@H](NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)c2cnn(C)c2)no1 ZINC001450366674 1067073823 /nfs/dbraw/zinc/07/38/23/1067073823.db2.gz XRIJBMCCAHQZCB-KINJOJRISA-N 0 0 460.365 4.523 20 0 JJADRN CN(C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001450375239 1067073853 /nfs/dbraw/zinc/07/38/53/1067073853.db2.gz MRIPVWJWXIGRCL-IBGZPJMESA-N 0 0 452.440 4.824 20 0 JJADRN CC[C@@H](OC(=O)CCN1C(=O)COc2cc(Br)ccc21)c1ccc(C)c(F)c1 ZINC001458489537 1067073851 /nfs/dbraw/zinc/07/38/51/1067073851.db2.gz PNUDNURZTFZROZ-GOSISDBHSA-N 0 0 450.304 4.707 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@](C)(OC)CC1 ZINC001546022286 1067074045 /nfs/dbraw/zinc/07/40/45/1067074045.db2.gz AZHGKTNRUUSSQW-VWLOTQADSA-N 0 0 451.615 4.748 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)SC ZINC001545779567 1067074815 /nfs/dbraw/zinc/07/48/15/1067074815.db2.gz SIKPHLAIXCTPBW-GOSISDBHSA-N 0 0 474.675 4.708 20 0 JJADRN Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001450384605 1067074884 /nfs/dbraw/zinc/07/48/84/1067074884.db2.gz HCEKDESPCVCBNP-UHFFFAOYSA-N 0 0 459.262 4.777 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)cc1)SC ZINC001545779568 1067075144 /nfs/dbraw/zinc/07/51/44/1067075144.db2.gz SJEHUCWAQCXSCX-UHFFFAOYSA-N 0 0 477.476 4.999 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1 ZINC001545780187 1067075316 /nfs/dbraw/zinc/07/53/16/1067075316.db2.gz OUCGCMMNSLAMKB-UHFFFAOYSA-N 0 0 454.998 4.907 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545779755 1067075377 /nfs/dbraw/zinc/07/53/77/1067075377.db2.gz ZRMVCGRVSMPDOT-JBACZVJFSA-N 0 0 485.677 4.777 20 0 JJADRN C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC001458498374 1067075417 /nfs/dbraw/zinc/07/54/17/1067075417.db2.gz IUYQPCDBUJVJMH-KSSFIOAISA-N 0 0 452.473 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1cc(F)c(Br)cc1F)CC2 ZINC001450392360 1067075409 /nfs/dbraw/zinc/07/54/09/1067075409.db2.gz DSGXLSPHBJABAA-UHFFFAOYSA-N 0 0 459.331 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C1)CCN(C(=O)c1ccc(Cl)c(Br)c1)CC2 ZINC001450388936 1067075513 /nfs/dbraw/zinc/07/55/13/1067075513.db2.gz VIANCRWERUAHBO-UHFFFAOYSA-N 0 0 457.796 4.966 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001450396631 1067075707 /nfs/dbraw/zinc/07/57/07/1067075707.db2.gz BREILGRIORHJBS-UXHICEINSA-N 0 0 454.533 4.811 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)SC ZINC001545780578 1067076053 /nfs/dbraw/zinc/07/60/53/1067076053.db2.gz AFXLAQPIJHEPEK-UHFFFAOYSA-N 0 0 498.722 4.903 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1nccs1)OC ZINC001545780862 1067076238 /nfs/dbraw/zinc/07/62/38/1067076238.db2.gz LQAMWUVVHHWXMT-UHFFFAOYSA-N 0 0 452.584 4.898 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC001450403722 1067076391 /nfs/dbraw/zinc/07/63/91/1067076391.db2.gz GZOLFEKSCHAPAW-UAFMIMERSA-N 0 0 456.656 4.668 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)C)CC1)OC ZINC001545780720 1067076335 /nfs/dbraw/zinc/07/63/35/1067076335.db2.gz FTVVPYPAXIKHLI-UHFFFAOYSA-N 0 0 466.630 4.730 20 0 JJADRN CCOC1(C)CCN(C(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)CC1 ZINC001450399425 1067076446 /nfs/dbraw/zinc/07/64/46/1067076446.db2.gz ROXUGIUGTZBRJX-UHFFFAOYSA-N 0 0 451.633 4.597 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cnc(C)s1)SC ZINC001545780886 1067076815 /nfs/dbraw/zinc/07/68/15/1067076815.db2.gz MDWKGTXBGBTNKY-UHFFFAOYSA-N 0 0 497.694 4.515 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(COC)cc2)CCO1 ZINC001546101493 1067077067 /nfs/dbraw/zinc/07/70/67/1067077067.db2.gz FCBSHWKIXDLBCB-CUNXSJBXSA-N 0 0 499.656 4.550 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001458505282 1067077109 /nfs/dbraw/zinc/07/71/09/1067077109.db2.gz WIWDVNBUHCRHKN-KBPBESRZSA-N 0 0 459.395 4.617 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001450405371 1067077303 /nfs/dbraw/zinc/07/73/03/1067077303.db2.gz GFFZKADDBJKSOO-REGYPHIPSA-N 0 0 452.517 4.846 20 0 JJADRN CC(C)[C@H](O)[C@@H](Nc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505379 1067077311 /nfs/dbraw/zinc/07/73/11/1067077311.db2.gz RZAJUEBNHWPJFC-PMACEKPBSA-N 0 0 452.356 4.748 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1ccco1)SC ZINC001545781258 1067077398 /nfs/dbraw/zinc/07/73/98/1067077398.db2.gz YOYUGMNHIIFUAI-KRWDZBQOSA-N 0 0 480.638 4.904 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)c1 ZINC001458505417 1067077449 /nfs/dbraw/zinc/07/74/49/1067077449.db2.gz YZMPHUYUDMEJCT-STTHAQSSSA-N 0 0 454.514 4.965 20 0 JJADRN CC(C)[C@@H](O)[C@H](Nc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505386 1067077560 /nfs/dbraw/zinc/07/75/60/1067077560.db2.gz RZAJUEBNHWPJFC-WOJBJXKFSA-N 0 0 452.356 4.748 20 0 JJADRN C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001450406047 1067077567 /nfs/dbraw/zinc/07/75/67/1067077567.db2.gz UPJLQXORRJQABU-GFCCVEGCSA-N 0 0 454.379 4.815 20 0 JJADRN CCC(CC)(Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)OC ZINC001545781237 1067077634 /nfs/dbraw/zinc/07/76/34/1067077634.db2.gz XTHBMZPMIMFKNC-LJQANCHMSA-N 0 0 480.657 4.763 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1)SC ZINC001545782385 1067077783 /nfs/dbraw/zinc/07/77/83/1067077783.db2.gz MIYIGHXCUDHPLD-MOPGFXCFSA-N 0 0 487.670 4.510 20 0 JJADRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cccc(NCc4cncs4)c3)CC2)cc1 ZINC001450412199 1067077990 /nfs/dbraw/zinc/07/79/90/1067077990.db2.gz OIHXUJVOJOQXLM-XMMPIXPASA-N 0 0 451.592 4.740 20 0 JJADRN Cc1sc(CC(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccco1 ZINC001450411025 1067078142 /nfs/dbraw/zinc/07/81/42/1067078142.db2.gz NSGGBMAWRGIGFD-ZWKOTPCHSA-N 0 0 459.612 4.892 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001545783400 1067078442 /nfs/dbraw/zinc/07/84/42/1067078442.db2.gz PUPPNYZCIGVNNS-UHFFFAOYSA-N 0 0 453.219 4.908 20 0 JJADRN COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)N2CC(C3CC3)C2)cc1OC ZINC001450412910 1067078531 /nfs/dbraw/zinc/07/85/31/1067078531.db2.gz PCWPLMLYRWKNOA-GRSHGNNSSA-N 0 0 459.489 4.723 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CCO1 ZINC001546101562 1067078706 /nfs/dbraw/zinc/07/87/06/1067078706.db2.gz GHAWFQBFDFDHNT-QFIPXVFZSA-N 0 0 462.381 4.613 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)cc1)OC ZINC001545783834 1067079027 /nfs/dbraw/zinc/07/90/27/1067079027.db2.gz DOAMEGBLEFHUEO-GOSISDBHSA-N 0 0 465.436 4.776 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)[nH]n1 ZINC001450415282 1067079086 /nfs/dbraw/zinc/07/90/86/1067079086.db2.gz QVIUSRDJOMLSDL-UHFFFAOYSA-N 0 0 457.933 4.790 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)c2ccsc2)CCO1 ZINC001546101590 1067079142 /nfs/dbraw/zinc/07/91/42/1067079142.db2.gz GQOPSQFTTATUOF-DNQXCXABSA-N 0 0 488.679 4.554 20 0 JJADRN C[C@@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC001458516023 1067079210 /nfs/dbraw/zinc/07/92/10/1067079210.db2.gz AIYXXHQXPCPMFK-CQSZACIVSA-N 0 0 454.479 4.598 20 0 JJADRN FC(F)(F)c1cc(N2CCOc3cc(Br)ccc3C2)nc(-c2cccnc2)n1 ZINC001458517468 1067079424 /nfs/dbraw/zinc/07/94/24/1067079424.db2.gz WIEGWMAEETVPSI-UHFFFAOYSA-N 0 0 451.246 4.719 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@@H]1CSC)NC(=O)OC(C)(C)C ZINC001545784106 1067079586 /nfs/dbraw/zinc/07/95/86/1067079586.db2.gz KVQHWHQMWRKKFD-GOSISDBHSA-N 0 0 451.681 4.961 20 0 JJADRN NC(=O)c1ccc(CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C2CC2)c(F)c1 ZINC001450422221 1067079938 /nfs/dbraw/zinc/07/99/38/1067079938.db2.gz LEVGGGGLWWKBAH-UHFFFAOYSA-N 0 0 459.237 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC001450421936 1067079946 /nfs/dbraw/zinc/07/99/46/1067079946.db2.gz ZDLVDNQKNSMIKP-IEBWSBKVSA-N 0 0 451.405 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC001450421939 1067079993 /nfs/dbraw/zinc/07/99/93/1067079993.db2.gz ZDLVDNQKNSMIKP-MJGOQNOKSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)SC ZINC001545784168 1067079992 /nfs/dbraw/zinc/07/99/92/1067079992.db2.gz MONKVJNSZOPSGI-VQTJNVASSA-N 0 0 475.678 4.948 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C)SC ZINC001545784169 1067080105 /nfs/dbraw/zinc/08/01/05/1067080105.db2.gz MONKVJNSZOPSGI-WOJBJXKFSA-N 0 0 475.678 4.948 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C)SC ZINC001545784167 1067080132 /nfs/dbraw/zinc/08/01/32/1067080132.db2.gz MONKVJNSZOPSGI-UXHICEINSA-N 0 0 475.678 4.948 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(c1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC001458520402 1067080060 /nfs/dbraw/zinc/08/00/60/1067080060.db2.gz XRDYVXUQWFPSBE-ZHRRBRCNSA-N 0 0 459.388 4.790 20 0 JJADRN O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(COc2cccc(Br)c2)o1 ZINC001458523346 1067080246 /nfs/dbraw/zinc/08/02/46/1067080246.db2.gz UWLSOKVYCSRPEY-KBAYOESNSA-N 0 0 454.411 4.731 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001458523873 1067080335 /nfs/dbraw/zinc/08/03/35/1067080335.db2.gz WSXRTYRAACKRLM-QFIPXVFZSA-N 0 0 458.459 4.757 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC001458524168 1067080582 /nfs/dbraw/zinc/08/05/82/1067080582.db2.gz XUPCLJSZBGLSQV-BFYDXBDKSA-N 0 0 455.468 4.611 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)SC ZINC001545784469 1067080693 /nfs/dbraw/zinc/08/06/93/1067080693.db2.gz TWZVNMSPIBKFMU-QGZVFWFLSA-N 0 0 451.681 4.913 20 0 JJADRN C[C@@H](NC(=O)CCc1cncc2ccccc21)c1ccc(Br)cc1OCCCO ZINC001450442339 1067080755 /nfs/dbraw/zinc/08/07/55/1067080755.db2.gz FPUIMKKHXKRKQS-MRXNPFEDSA-N 0 0 457.368 4.569 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC001450450982 1067081135 /nfs/dbraw/zinc/08/11/35/1067081135.db2.gz QKFQVDXPEPCDKM-CYBMUJFWSA-N 0 0 455.780 4.787 20 0 JJADRN O=C(CCCSc1ccc(Br)cc1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450449648 1067081181 /nfs/dbraw/zinc/08/11/81/1067081181.db2.gz ZLNURDRLAHXTIZ-CTNGQTDRSA-N 0 0 452.389 4.648 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(C)n1 ZINC001458528176 1067081394 /nfs/dbraw/zinc/08/13/94/1067081394.db2.gz YTYHGKHURORZCR-HXUWFJFHSA-N 0 0 451.398 4.610 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001546022875 1067081487 /nfs/dbraw/zinc/08/14/87/1067081487.db2.gz QAMOMXJYTKQCIY-HNNXBMFYSA-N 0 0 499.102 4.624 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001546022941 1067081621 /nfs/dbraw/zinc/08/16/21/1067081621.db2.gz RHXVKBKFFVWYJM-WAOWUJCRSA-N 0 0 463.022 4.628 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001546022876 1067081639 /nfs/dbraw/zinc/08/16/39/1067081639.db2.gz QAMOMXJYTKQCIY-OAHLLOKOSA-N 0 0 499.102 4.624 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545785855 1067082121 /nfs/dbraw/zinc/08/21/21/1067082121.db2.gz DPBUUGGOHOFHCJ-IOJLRTSASA-N 0 0 463.667 4.880 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001546023074 1067082245 /nfs/dbraw/zinc/08/22/45/1067082245.db2.gz VJDXZQDFJXHQAF-OAHLLOKOSA-N 0 0 476.419 4.500 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)SC ZINC001545786456 1067082472 /nfs/dbraw/zinc/08/24/72/1067082472.db2.gz POLDYVRFICAYHI-JKSUJKDBSA-N 0 0 471.092 4.997 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CCO1 ZINC001546101776 1067082781 /nfs/dbraw/zinc/08/27/81/1067082781.db2.gz KZKJQEJPOVEGBY-QFIPXVFZSA-N 0 0 452.521 4.827 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CCSC(F)(F)F)CCO1 ZINC001546101795 1067082842 /nfs/dbraw/zinc/08/28/42/1067082842.db2.gz LMGFPAKTMIOHPE-IBGZPJMESA-N 0 0 476.590 4.837 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545786801 1067082936 /nfs/dbraw/zinc/08/29/36/1067082936.db2.gz XEZKMMMDRCOJMZ-IBGZPJMESA-N 0 0 475.609 4.641 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NC/C=C\c1cccnc1 ZINC001450461440 1067082787 /nfs/dbraw/zinc/08/27/87/1067082787.db2.gz GPLLYZRXXVAOJI-RQOWECAXSA-N 0 0 456.365 4.530 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NC/C=C/c1cccnc1 ZINC001450461437 1067082845 /nfs/dbraw/zinc/08/28/45/1067082845.db2.gz GPLLYZRXXVAOJI-DUXPYHPUSA-N 0 0 456.365 4.530 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001546023151 1067082935 /nfs/dbraw/zinc/08/29/35/1067082935.db2.gz XNPZIGGIGWDHMG-JTHBVZDNSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccccn2)c1 ZINC001458533205 1067082957 /nfs/dbraw/zinc/08/29/57/1067082957.db2.gz NYFXLUKTGPNMHU-HXOBKFHXSA-N 0 0 454.357 4.956 20 0 JJADRN O=C(NCCc1ccc(Br)cc1Cl)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001450471622 1067083080 /nfs/dbraw/zinc/08/30/80/1067083080.db2.gz PJMWARRRPMYWQE-FQEVSTJZSA-N 0 0 453.783 4.955 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1OC ZINC001458534907 1067083432 /nfs/dbraw/zinc/08/34/32/1067083432.db2.gz YLKYHIFWDCBPOZ-HNNXBMFYSA-N 0 0 450.373 4.619 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1C ZINC001458535540 1067083629 /nfs/dbraw/zinc/08/36/29/1067083629.db2.gz GLXHKCOQIILOGE-UHFFFAOYSA-N 0 0 455.514 4.689 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1)SC ZINC001545788333 1067084411 /nfs/dbraw/zinc/08/44/11/1067084411.db2.gz QVHFFHJVZSSULK-SFHVURJKSA-N 0 0 465.063 4.834 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1)SC ZINC001545788312 1067084487 /nfs/dbraw/zinc/08/44/87/1067084487.db2.gz PYOOXJPUGDACNB-UHFFFAOYSA-N 0 0 464.079 4.549 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc([S@@](C)=O)cc1 ZINC001458538973 1067084546 /nfs/dbraw/zinc/08/45/46/1067084546.db2.gz YGQWHSNQMCXHDE-DHMKHTPVSA-N 0 0 458.630 4.707 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccs2)CC1)SC ZINC001545788364 1067084584 /nfs/dbraw/zinc/08/45/84/1067084584.db2.gz RRLZIWPAICFONI-UHFFFAOYSA-N 0 0 450.722 4.962 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1)OC ZINC001545788382 1067084722 /nfs/dbraw/zinc/08/47/22/1067084722.db2.gz SCBCGEKEWZVVER-UHFFFAOYSA-N 0 0 465.038 4.563 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N2CCc3c(F)ccc(Br)c3C2)CCN1C(=O)OC(C)(C)C ZINC001450483818 1067084632 /nfs/dbraw/zinc/08/46/32/1067084632.db2.gz MUWVVJFMNWTITA-ZIAGYGMSSA-N 0 0 455.368 4.509 20 0 JJADRN CON(C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCCOc2ccccc21 ZINC001546023348 1067084695 /nfs/dbraw/zinc/08/46/95/1067084695.db2.gz BXHAOUSJEUUSMN-SFHVURJKSA-N 0 0 458.580 4.959 20 0 JJADRN COCc1cc(N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)nc(C(C)(C)C)n1 ZINC001458542299 1067084900 /nfs/dbraw/zinc/08/49/00/1067084900.db2.gz CHRBQWBDXQXATD-NRFANRHFSA-N 0 0 458.647 4.927 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC001450495133 1067085218 /nfs/dbraw/zinc/08/52/18/1067085218.db2.gz SCDOSDIHZTUHKI-LJQANCHMSA-N 0 0 455.382 4.569 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1Nc1cnn(C)c1)NC(=O)OC(C)(C)C ZINC001545789466 1067085840 /nfs/dbraw/zinc/08/58/40/1067085840.db2.gz ISSXGCQARKWPAS-UHFFFAOYSA-N 0 0 471.581 4.569 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)SC ZINC001545789413 1067085905 /nfs/dbraw/zinc/08/59/05/1067085905.db2.gz GOZHIZMTTHCMPY-UHFFFAOYSA-N 0 0 488.702 4.679 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)Cc3noc4ccc(Br)cc43)CC2)cc1 ZINC001450525381 1067086000 /nfs/dbraw/zinc/08/60/00/1067086000.db2.gz QSWPKLBUIIEOHR-UHFFFAOYSA-N 0 0 456.384 4.601 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Br)c1)OC ZINC001545789545 1067086127 /nfs/dbraw/zinc/08/61/27/1067086127.db2.gz LBIQHZFHXQWGDW-UHFFFAOYSA-N 0 0 472.431 4.868 20 0 JJADRN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450528818 1067086268 /nfs/dbraw/zinc/08/62/68/1067086268.db2.gz PJFLYZATXFOBBR-UHFFFAOYSA-N 0 0 451.741 4.911 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(COc2ccccc2F)on1 ZINC001458549485 1067086098 /nfs/dbraw/zinc/08/60/98/1067086098.db2.gz WNULNRAAYQBTCR-KRWDZBQOSA-N 0 0 453.514 4.889 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C3CCC3)cn2)c(Cl)cc1Cl ZINC001450531921 1067086515 /nfs/dbraw/zinc/08/65/15/1067086515.db2.gz JIJFXPVVSYAQIK-UHFFFAOYSA-N 0 0 456.395 4.843 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC001450531281 1067086800 /nfs/dbraw/zinc/08/68/00/1067086800.db2.gz BRJJTHGRRMUVCW-MUUNZHRXSA-N 0 0 459.409 4.724 20 0 JJADRN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001450531134 1067086817 /nfs/dbraw/zinc/08/68/17/1067086817.db2.gz AEACCADVSYVVIH-QHCPKHFHSA-N 0 0 450.514 4.754 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2ccnc2C)CCO1 ZINC001546102066 1067086806 /nfs/dbraw/zinc/08/68/06/1067086806.db2.gz QIJCXOGBHRAAQP-QHCPKHFHSA-N 0 0 475.062 4.824 20 0 JJADRN Cc1c(C(=O)O[C@@H](C)c2cccc(OC(F)F)c2)nnn1-c1ccccc1Br ZINC001458555008 1067086886 /nfs/dbraw/zinc/08/68/86/1067086886.db2.gz IRFJUVZOXSNOCP-LBPRGKRZSA-N 0 0 452.255 4.858 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)SC ZINC001545789821 1067087184 /nfs/dbraw/zinc/08/71/84/1067087184.db2.gz VFZBLKVVQAFKHR-IBGZPJMESA-N 0 0 475.678 4.623 20 0 JJADRN Cc1c(C(=O)O[C@H]2CCSc3ccccc32)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001458558376 1067087241 /nfs/dbraw/zinc/08/72/41/1067087241.db2.gz SFBVWVVYYNJMQQ-SFHVURJKSA-N 0 0 458.584 4.552 20 0 JJADRN COc1c(N)c(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)cc(Cl)c1Br ZINC001450535627 1067087354 /nfs/dbraw/zinc/08/73/54/1067087354.db2.gz RGZRYBJYYZPDCZ-LBPRGKRZSA-N 0 0 450.764 4.713 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC001450536704 1067087461 /nfs/dbraw/zinc/08/74/61/1067087461.db2.gz DBUDZGPJXIPPIT-MBSDFSHPSA-N 0 0 455.352 4.563 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccn2)CC1)SC ZINC001545790948 1067087545 /nfs/dbraw/zinc/08/75/45/1067087545.db2.gz CDHDJYHLZXVGOZ-UHFFFAOYSA-N 0 0 456.685 4.574 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)n1 ZINC001458558575 1067087471 /nfs/dbraw/zinc/08/74/71/1067087471.db2.gz HRSKVHFHIRULEI-UHFFFAOYSA-N 0 0 450.486 4.741 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O[C@@H]3CCSc4ccccc43)CC2)c(C)c1 ZINC001458556490 1067087487 /nfs/dbraw/zinc/08/74/87/1067087487.db2.gz JOFJDJXJHIVRBY-OAQYLSRUSA-N 0 0 459.633 4.793 20 0 JJADRN CC[C@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)c1cccc(Cl)c1 ZINC001458560280 1067087806 /nfs/dbraw/zinc/08/78/06/1067087806.db2.gz OQIYJUQTMAXBRC-OFVILXPXSA-N 0 0 450.922 4.955 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1O ZINC001450539673 1067088087 /nfs/dbraw/zinc/08/80/87/1067088087.db2.gz WKJVTGHJFYQWSB-MRXNPFEDSA-N 0 0 454.523 4.827 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791159 1067088216 /nfs/dbraw/zinc/08/82/16/1067088216.db2.gz JDOCIEWHNLBDDT-FQEVSTJZSA-N 0 0 455.647 4.993 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(O)cc1)OC ZINC001545791213 1067088246 /nfs/dbraw/zinc/08/82/46/1067088246.db2.gz KUZDDMUVURIKAI-NRFANRHFSA-N 0 0 455.628 4.886 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)OC ZINC001545791285 1067088296 /nfs/dbraw/zinc/08/82/96/1067088296.db2.gz NGVBBUNIBBOVSO-UHFFFAOYSA-N 0 0 488.076 4.832 20 0 JJADRN CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791160 1067088487 /nfs/dbraw/zinc/08/84/87/1067088487.db2.gz JDOCIEWHNLBDDT-HXUWFJFHSA-N 0 0 455.647 4.993 20 0 JJADRN Cc1[nH]nc2nc(C)cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c3ccc4ccccc4c3)c12 ZINC001458567581 1067088490 /nfs/dbraw/zinc/08/84/90/1067088490.db2.gz IQVPFDAPRGLBFJ-NRFANRHFSA-N 0 0 459.550 4.724 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CCO1 ZINC001546102171 1067088634 /nfs/dbraw/zinc/08/86/34/1067088634.db2.gz SODAUCHJQLLRFR-HFZDXXHNSA-N 0 0 469.630 4.712 20 0 JJADRN O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1ccc(Br)[nH]c1=O ZINC001450542124 1067088618 /nfs/dbraw/zinc/08/86/18/1067088618.db2.gz JATMRQCMTYDUBI-UHFFFAOYSA-N 0 0 455.131 4.688 20 0 JJADRN CCOC(=O)c1nc(CC)oc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001458569102 1067088872 /nfs/dbraw/zinc/08/88/72/1067088872.db2.gz FBMSAAOMEIOZSW-UHFFFAOYSA-N 0 0 455.536 4.689 20 0 JJADRN CC(C)(C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001450544611 1067088890 /nfs/dbraw/zinc/08/88/90/1067088890.db2.gz PQCNPPBJJYWNDP-HFASVGIHSA-N 0 0 459.586 4.608 20 0 JJADRN CC(C)(C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001450544595 1067088962 /nfs/dbraw/zinc/08/89/62/1067088962.db2.gz PQCNPPBJJYWNDP-GEBXHLAXSA-N 0 0 459.586 4.608 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)OC ZINC001545791455 1067089373 /nfs/dbraw/zinc/08/93/73/1067089373.db2.gz SQLWWXPJNOVLOH-UHFFFAOYSA-N 0 0 491.061 4.627 20 0 JJADRN COc1cccc(-c2nc(C(=O)Nc3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c(C)[nH]2)c1 ZINC001450547811 1067089649 /nfs/dbraw/zinc/08/96/49/1067089649.db2.gz NYXZIYKSGCZJHZ-UHFFFAOYSA-N 0 0 459.403 4.990 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 ZINC001545792339 1067089975 /nfs/dbraw/zinc/08/99/75/1067089975.db2.gz WUQDZDXJQQUGIQ-UHFFFAOYSA-N 0 0 453.583 4.928 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(F)(F)F)CC1)SC ZINC001545792443 1067089993 /nfs/dbraw/zinc/08/99/93/1067089993.db2.gz AESTTZNBHFTQET-UHFFFAOYSA-N 0 0 458.598 4.840 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC001450549819 1067090026 /nfs/dbraw/zinc/09/00/26/1067090026.db2.gz QZCHYABLSUTTNP-QZTJIDSGSA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)C[C@H]1[C@H]1CCCO1 ZINC001545792325 1067090207 /nfs/dbraw/zinc/09/02/07/1067090207.db2.gz WODJAOINOHERCP-GBESFXJTSA-N 0 0 457.596 4.943 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)OC ZINC001545792677 1067090440 /nfs/dbraw/zinc/09/04/40/1067090440.db2.gz IQFMZJSVAZLBGE-RBBKRZOGSA-N 0 0 486.613 4.608 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncccn2)CC1)SC ZINC001545792588 1067090514 /nfs/dbraw/zinc/09/05/14/1067090514.db2.gz GCNUTGWWLGKBOY-UHFFFAOYSA-N 0 0 495.697 4.512 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)c2cc(F)cc(Br)c2N)ccc1Br ZINC001450552949 1067090524 /nfs/dbraw/zinc/09/05/24/1067090524.db2.gz MFDNQTNZTYKXBI-UHFFFAOYSA-N 0 0 458.169 4.992 20 0 JJADRN Cc1cc(NC(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)c(F)cc1Br ZINC001450551528 1067090644 /nfs/dbraw/zinc/09/06/44/1067090644.db2.gz FAUOFWHJSXCXRQ-UHFFFAOYSA-N 0 0 458.353 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNc3nc(C(F)(F)F)cs3)cc2)CC1 ZINC001458580914 1067090838 /nfs/dbraw/zinc/09/08/38/1067090838.db2.gz XSYAMBAJPHMBJN-UHFFFAOYSA-N 0 0 456.534 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@H]1C(F)(F)F ZINC001458582148 1067090884 /nfs/dbraw/zinc/09/08/84/1067090884.db2.gz RRUNTWDTRRCHSO-HOCLYGCPSA-N 0 0 456.896 4.936 20 0 JJADRN CN1Cc2ccccc2[C@@H](NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC001458586440 1067090940 /nfs/dbraw/zinc/09/09/40/1067090940.db2.gz KGCKIOMNBUZJQX-GOTSBHOMSA-N 0 0 451.364 4.872 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001545792734 1067090957 /nfs/dbraw/zinc/09/09/57/1067090957.db2.gz KLJYKSFQCGXQIP-AZUAARDMSA-N 0 0 487.693 4.848 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)cnc2C)ccc1Cl ZINC001458587277 1067091217 /nfs/dbraw/zinc/09/12/17/1067091217.db2.gz NVEFSRFYGJDROU-UHFFFAOYSA-N 0 0 457.983 4.993 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)c(C)c1OC ZINC001450563405 1067091420 /nfs/dbraw/zinc/09/14/20/1067091420.db2.gz HPRWLDFRNYKTGE-HNNXBMFYSA-N 0 0 458.555 4.505 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NCC1([C@H](O)c2ccccc2)CC1 ZINC001546024290 1067091738 /nfs/dbraw/zinc/09/17/38/1067091738.db2.gz ZXYWZGFSIOEFNS-JOCHJYFZSA-N 0 0 455.352 4.667 20 0 JJADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(F)cc2C1)SC ZINC001545793203 1067092197 /nfs/dbraw/zinc/09/21/97/1067092197.db2.gz YZNQBTAUDXPALH-UHFFFAOYSA-N 0 0 487.670 4.893 20 0 JJADRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001450589288 1067092170 /nfs/dbraw/zinc/09/21/70/1067092170.db2.gz NGAHPZUMKGVWDM-HZPDHXFCSA-N 0 0 452.523 4.596 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001458599434 1067092500 /nfs/dbraw/zinc/09/25/00/1067092500.db2.gz XVVIXKWZBMKWMW-UHFFFAOYSA-N 0 0 459.403 4.716 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1)OC ZINC001545794450 1067092641 /nfs/dbraw/zinc/09/26/41/1067092641.db2.gz DGABFAWVYPNONH-QHCPKHFHSA-N 0 0 466.630 4.754 20 0 JJADRN CCC(CC)(Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C)SC ZINC001545794488 1067092687 /nfs/dbraw/zinc/09/26/87/1067092687.db2.gz FBASBRAFZRTQDB-UHFFFAOYSA-N 0 0 463.717 4.958 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001450594945 1067092794 /nfs/dbraw/zinc/09/27/94/1067092794.db2.gz GZQJPVCWQXSHOU-UHFFFAOYSA-N 0 0 451.420 4.861 20 0 JJADRN CC(C)Cn1ncc(NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)c1C1CC1 ZINC001450590369 1067092885 /nfs/dbraw/zinc/09/28/85/1067092885.db2.gz BRDDHHRJSYMSFU-UHFFFAOYSA-N 0 0 454.571 4.798 20 0 JJADRN CCC(CC)(Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545794604 1067093037 /nfs/dbraw/zinc/09/30/37/1067093037.db2.gz IUPPYJQREFIKNW-AREMUKBSSA-N 0 0 474.646 4.706 20 0 JJADRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001450598365 1067093154 /nfs/dbraw/zinc/09/31/54/1067093154.db2.gz WJFLYDXGIFEXIC-IAGOWNOFSA-N 0 0 450.988 4.971 20 0 JJADRN O=C(c1oc(C2CC2)nc1C(F)F)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450597433 1067093374 /nfs/dbraw/zinc/09/33/74/1067093374.db2.gz CNOFWMJIAWYXHZ-CJNGLKHVSA-N 0 0 455.299 4.838 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC ZINC001545794852 1067093857 /nfs/dbraw/zinc/09/38/57/1067093857.db2.gz PZGFVEKZZGIWRC-GOSISDBHSA-N 0 0 472.577 4.852 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450603500 1067094081 /nfs/dbraw/zinc/09/40/81/1067094081.db2.gz IQYBHLFTZPQCQM-IERDGZPVSA-N 0 0 455.352 4.597 20 0 JJADRN Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450603506 1067094127 /nfs/dbraw/zinc/09/41/27/1067094127.db2.gz IQYBHLFTZPQCQM-IIBYNOLFSA-N 0 0 455.352 4.597 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)CCCCC2)cc1 ZINC001458610903 1067094417 /nfs/dbraw/zinc/09/44/17/1067094417.db2.gz OSBHAAXVNPVJDO-UHFFFAOYSA-N 0 0 454.636 4.820 20 0 JJADRN O=C(c1ccc(Oc2ccccc2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001458610598 1067094582 /nfs/dbraw/zinc/09/45/82/1067094582.db2.gz SWRJGDLCULKOEN-NRFANRHFSA-N 0 0 451.320 4.555 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC001458610917 1067094667 /nfs/dbraw/zinc/09/46/67/1067094667.db2.gz OWGCQZIUUTXOJJ-GOEBONIOSA-N 0 0 458.274 4.905 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)O[C@H](C)c2ccc(F)c(C(F)(F)F)c2)cs1)C(N)=O ZINC001458610098 1067094679 /nfs/dbraw/zinc/09/46/79/1067094679.db2.gz RRKLFSSZTDBIRZ-YMTOWFKASA-N 0 0 450.479 4.504 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001545795115 1067094933 /nfs/dbraw/zinc/09/49/33/1067094933.db2.gz YCMVCMXMSIJYJF-LVXARBLLSA-N 0 0 474.621 4.657 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545795114 1067094951 /nfs/dbraw/zinc/09/49/51/1067094951.db2.gz YCMVCMXMSIJYJF-HFZDXXHNSA-N 0 0 474.621 4.657 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450608608 1067095069 /nfs/dbraw/zinc/09/50/69/1067095069.db2.gz MJQCJLLNYMCHCN-KKSFZXQISA-N 0 0 457.920 4.912 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2nc(C)no2)CC1)OC ZINC001545795152 1067095307 /nfs/dbraw/zinc/09/53/07/1067095307.db2.gz ZSTCBAHAJFGNOA-UHFFFAOYSA-N 0 0 482.629 4.755 20 0 JJADRN CCn1nc(C)c(C(=O)Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1Cl ZINC001450613315 1067095831 /nfs/dbraw/zinc/09/58/31/1067095831.db2.gz VFAKKWCUVWEQFM-UHFFFAOYSA-N 0 0 453.996 4.688 20 0 JJADRN CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1O ZINC001450611915 1067095860 /nfs/dbraw/zinc/09/58/60/1067095860.db2.gz XDLSXOKAWPNZMC-UHFFFAOYSA-N 0 0 453.292 4.862 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1 ZINC001450611525 1067096007 /nfs/dbraw/zinc/09/60/07/1067096007.db2.gz YGSIFXVYFDGDIY-GOSISDBHSA-N 0 0 450.284 4.675 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)c1ncnc2cc(I)sc21 ZINC001458614063 1067096115 /nfs/dbraw/zinc/09/61/15/1067096115.db2.gz GHAFJZTXNLETOO-UHFFFAOYSA-N 0 0 453.349 4.566 20 0 JJADRN CCC(CC)(Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)SC ZINC001545796412 1067096218 /nfs/dbraw/zinc/09/62/18/1067096218.db2.gz FHURNWAFRMJABF-XXBNENTESA-N 0 0 470.749 4.818 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C)OC ZINC001545796428 1067096230 /nfs/dbraw/zinc/09/62/30/1067096230.db2.gz FRRSHYYSRLAAJN-OTWHNJEPSA-N 0 0 481.707 4.886 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1)OC ZINC001545796601 1067096399 /nfs/dbraw/zinc/09/63/99/1067096399.db2.gz JVOMTSJANPODGY-WOJBJXKFSA-N 0 0 466.985 4.705 20 0 JJADRN CCC(CC)[C@H](CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2C2(CCC2)C1)OC ZINC001545796739 1067096713 /nfs/dbraw/zinc/09/67/13/1067096713.db2.gz NZOLRIVJGIUPCD-QHCPKHFHSA-N 0 0 467.658 4.700 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450622028 1067096862 /nfs/dbraw/zinc/09/68/62/1067096862.db2.gz BHDKPYGNDBDAMO-OKILXGFUSA-N 0 0 450.892 4.903 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546102414 1067096929 /nfs/dbraw/zinc/09/69/29/1067096929.db2.gz XUCZSCUSYAZFBN-FGZHOGPDSA-N 0 0 451.036 4.802 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545796832 1067097092 /nfs/dbraw/zinc/09/70/92/1067097092.db2.gz QREMDFQQKOLULK-XUVXKRRUSA-N 0 0 493.693 4.505 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)SC ZINC001545796781 1067097237 /nfs/dbraw/zinc/09/72/37/1067097237.db2.gz PIZUEFKQJUTNJZ-WOJBJXKFSA-N 0 0 491.746 4.567 20 0 JJADRN CCC(CC)(Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001545796840 1067097259 /nfs/dbraw/zinc/09/72/59/1067097259.db2.gz QWMLYTSMRMGSMG-FQEVSTJZSA-N 0 0 477.694 4.912 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001545797907 1067097457 /nfs/dbraw/zinc/09/74/57/1067097457.db2.gz BWWOWTHTVGJPII-UPVQGACJSA-N 0 0 467.662 4.780 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001458624103 1067097614 /nfs/dbraw/zinc/09/76/14/1067097614.db2.gz KLDSXKJGCHOLSP-UHFFFAOYSA-N 0 0 457.151 4.655 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1)OC ZINC001545797863 1067097657 /nfs/dbraw/zinc/09/76/57/1067097657.db2.gz BCOMCEAQEGYYTH-HOCLYGCPSA-N 0 0 471.465 4.836 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545797980 1067098236 /nfs/dbraw/zinc/09/82/36/1067098236.db2.gz CVCCQQIMODYCHX-OAQYLSRUSA-N 0 0 455.006 4.793 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545798105 1067098473 /nfs/dbraw/zinc/09/84/73/1067098473.db2.gz FYAWEXNSCINWPO-CYFREDJKSA-N 0 0 494.640 4.612 20 0 JJADRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 ZINC001450642770 1067098644 /nfs/dbraw/zinc/09/86/44/1067098644.db2.gz BJOPXVCXKPXMCF-GOSISDBHSA-N 0 0 453.608 4.772 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H]1C)OC ZINC001545798191 1067098825 /nfs/dbraw/zinc/09/88/25/1067098825.db2.gz HEHUQBUBTOYRCK-QRWLVFNGSA-N 0 0 483.426 4.913 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCn3c(Cl)ccc3[C@H]2C)[C@@H]1c1ccccc1OC ZINC001450649511 1067099022 /nfs/dbraw/zinc/09/90/22/1067099022.db2.gz BWXHAQGMSUYSML-VUMVONDWSA-N 0 0 458.002 4.833 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)CNC(=O)c2ccccc2C(F)(F)F)ccc1Br ZINC001450650798 1067099167 /nfs/dbraw/zinc/09/91/67/1067099167.db2.gz YEUOEPQZMHHVCT-UHFFFAOYSA-N 0 0 457.290 4.558 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)OC ZINC001545798312 1067099476 /nfs/dbraw/zinc/09/94/76/1067099476.db2.gz JDMJXZFEVGDOFL-TYCQWZJGSA-N 0 0 484.563 4.951 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1C)OC ZINC001545798306 1067099491 /nfs/dbraw/zinc/09/94/91/1067099491.db2.gz JBCKVSKHGHIRJR-DNVCBOLYSA-N 0 0 452.441 4.876 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C1 ZINC001458648460 1067099809 /nfs/dbraw/zinc/09/98/09/1067099809.db2.gz FLDLDJBFZUEBLV-DOTOQJQBSA-N 0 0 459.949 4.955 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC001458642161 1067099827 /nfs/dbraw/zinc/09/98/27/1067099827.db2.gz HSRLSBQAQGMUTJ-UHFFFAOYSA-N 0 0 452.530 4.680 20 0 JJADRN Cc1ccc([C@@H](CC(F)(F)F)NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001458648412 1067099917 /nfs/dbraw/zinc/09/99/17/1067099917.db2.gz DVGCUVBQDMEWIO-DOTOQJQBSA-N 0 0 455.274 4.993 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC ZINC001545798402 1067100046 /nfs/dbraw/zinc/10/00/46/1067100046.db2.gz KNRGQMGSQSVWDR-GGAORHGYSA-N 0 0 480.661 4.635 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@H]1C)OC ZINC001545798458 1067100725 /nfs/dbraw/zinc/10/07/25/1067100725.db2.gz LIORSALQWQSBRK-NQIIRXRSSA-N 0 0 487.714 4.784 20 0 JJADRN C[C@H](Nc1ncnc2ccc(I)cc21)c1cc(Cl)cc2c1OCC2 ZINC001458653451 1067100704 /nfs/dbraw/zinc/10/07/04/1067100704.db2.gz XSYCJRUYBOMEAL-JTQLQIEISA-N 0 0 451.695 4.996 20 0 JJADRN COC(=O)c1ccc2[nH]c(CNC(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)nc2c1 ZINC001450666832 1067100774 /nfs/dbraw/zinc/10/07/74/1067100774.db2.gz PJSQSGZPMROBLB-UHFFFAOYSA-N 0 0 457.458 4.609 20 0 JJADRN O=C(c1csc(I)c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001450666167 1067100781 /nfs/dbraw/zinc/10/07/81/1067100781.db2.gz ZZLQIADJYNMPQR-UHFFFAOYSA-N 0 0 451.251 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC001450671760 1067101310 /nfs/dbraw/zinc/10/13/10/1067101310.db2.gz ITOYKQSKPDVBLW-YWZLYKJASA-N 0 0 457.398 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC001450671732 1067101489 /nfs/dbraw/zinc/10/14/89/1067101489.db2.gz ITOYKQSKPDVBLW-FOIQADDNSA-N 0 0 457.398 4.977 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4sccc43)ccc2Cl)C1 ZINC001458657593 1067101944 /nfs/dbraw/zinc/10/19/44/1067101944.db2.gz NVBQCNJOLKVIIP-KDOFPFPSSA-N 0 0 453.029 4.630 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)OC)C1)OC ZINC001545798688 1067101888 /nfs/dbraw/zinc/10/18/88/1067101888.db2.gz PNFZOWJKJGNZNS-UXHICEINSA-N 0 0 454.571 4.532 20 0 JJADRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001450681328 1067101952 /nfs/dbraw/zinc/10/19/52/1067101952.db2.gz AMVOANPTEJAGEU-FQEVSTJZSA-N 0 0 459.440 4.637 20 0 JJADRN CC1(CNC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)CCCCC1 ZINC001450675119 1067102063 /nfs/dbraw/zinc/10/20/63/1067102063.db2.gz UXBWTTYVXODGLB-UHFFFAOYSA-N 0 0 450.421 4.648 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](OC)C(C)(C)C1)OC ZINC001545798809 1067102455 /nfs/dbraw/zinc/10/24/55/1067102455.db2.gz RSORESVTKJRPII-RBUKOAKNSA-N 0 0 482.467 4.738 20 0 JJADRN CC[C@H](CC(F)(F)F)NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001458660219 1067102552 /nfs/dbraw/zinc/10/25/52/1067102552.db2.gz AEXLYNADHINKLI-SECBINFHSA-N 0 0 459.188 4.509 20 0 JJADRN O=C([C@H](Sc1ccc(F)c(F)c1)c1ccccc1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001458660490 1067102573 /nfs/dbraw/zinc/10/25/73/1067102573.db2.gz UMJLZWDKRGRNHI-HSZRJFAPSA-N 0 0 456.489 4.813 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ncn(C2CCCCC2)n1 ZINC001458663295 1067102981 /nfs/dbraw/zinc/10/29/81/1067102981.db2.gz GBRTUTZGQSQVRK-NRFANRHFSA-N 0 0 451.958 4.937 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC001458662164 1067103147 /nfs/dbraw/zinc/10/31/47/1067103147.db2.gz BZQTZRSWHCNJBG-QGZVFWFLSA-N 0 0 458.562 4.855 20 0 JJADRN Cc1nnc(N(C)C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001450687867 1067103305 /nfs/dbraw/zinc/10/33/05/1067103305.db2.gz GLHJOPOAPHHEDQ-UHFFFAOYSA-N 0 0 450.564 4.518 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(CO)(C(F)(F)F)CC2)n1 ZINC001458665681 1067103972 /nfs/dbraw/zinc/10/39/72/1067103972.db2.gz LAGKSHMDORDGDC-UHFFFAOYSA-N 0 0 450.530 4.561 20 0 JJADRN COCc1nc2sc(C(=O)N(Cc3ccc(OC)cc3)[C@H](C)C3CC3)c(C)c2c(OC)n1 ZINC001450690691 1067104037 /nfs/dbraw/zinc/10/40/37/1067104037.db2.gz NNZVSDUVTRIIBH-OAHLLOKOSA-N 0 0 455.580 4.604 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c2)cc1 ZINC001450692283 1067104061 /nfs/dbraw/zinc/10/40/61/1067104061.db2.gz PXGFVLMCJGOBQU-QGZVFWFLSA-N 0 0 456.568 4.552 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1)OC ZINC001545799136 1067104360 /nfs/dbraw/zinc/10/43/60/1067104360.db2.gz XKQAMNPVAPJAPV-PXNSSMCTSA-N 0 0 465.436 4.774 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(C1)CCCOC2)OC ZINC001545799196 1067104969 /nfs/dbraw/zinc/10/49/69/1067104969.db2.gz ZACXJRAAGDGOQP-REWPJTCUSA-N 0 0 494.478 4.884 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)OC ZINC001545799192 1067105076 /nfs/dbraw/zinc/10/50/76/1067105076.db2.gz YZPRSHRBZOZOGF-VWLOTQADSA-N 0 0 490.652 4.534 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NCc3nc4cc(Br)ccc4o3)c2)cn1 ZINC001450697568 1067105139 /nfs/dbraw/zinc/10/51/39/1067105139.db2.gz YVPMSNZHLZVSFI-UHFFFAOYSA-N 0 0 452.308 4.803 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](CC)CC(F)(F)F)cc2)c1C(F)(F)F ZINC001458670290 1067105126 /nfs/dbraw/zinc/10/51/26/1067105126.db2.gz QMVSEGOAJLLXHB-GFCCVEGCSA-N 0 0 451.367 4.529 20 0 JJADRN CSc1ccc(CCCC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC001458672343 1067105899 /nfs/dbraw/zinc/10/58/99/1067105899.db2.gz AVTMYLBXPYTDDO-GOSISDBHSA-N 0 0 450.526 4.667 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c2)cc1F ZINC001450698831 1067106161 /nfs/dbraw/zinc/10/61/61/1067106161.db2.gz ZDYDRAHFXIBXQR-QGZVFWFLSA-N 0 0 458.559 4.991 20 0 JJADRN C[C@@H]1CN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)CCC1(F)F ZINC001450698274 1067106229 /nfs/dbraw/zinc/10/62/29/1067106229.db2.gz WZRIBDPDKWNVEA-CYBMUJFWSA-N 0 0 452.914 4.777 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1)OC ZINC001545800216 1067106258 /nfs/dbraw/zinc/10/62/58/1067106258.db2.gz CKTXWJKCWQBRRW-FXSPECFOSA-N 0 0 474.621 4.598 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H]1C)OC ZINC001545800205 1067106274 /nfs/dbraw/zinc/10/62/74/1067106274.db2.gz CGIWTVGSPPJMOE-YYDVJCTNSA-N 0 0 480.657 4.751 20 0 JJADRN CCC(CC)[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)OC ZINC001545800176 1067106278 /nfs/dbraw/zinc/10/62/78/1067106278.db2.gz BZLUYSVPSNXSLO-JOCHJYFZSA-N 0 0 461.695 4.689 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1)OC ZINC001545800276 1067106719 /nfs/dbraw/zinc/10/67/19/1067106719.db2.gz DGHFTXUSKWJHSI-ISKFKSNPSA-N 0 0 470.658 4.501 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001450702377 1067106888 /nfs/dbraw/zinc/10/68/88/1067106888.db2.gz BYIIGZJCCXETRT-PMACEKPBSA-N 0 0 457.398 4.857 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450703063 1067107451 /nfs/dbraw/zinc/10/74/51/1067107451.db2.gz MGKUJZMVNIIUOC-NRFANRHFSA-N 0 0 455.368 4.760 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001450702395 1067107543 /nfs/dbraw/zinc/10/75/43/1067107543.db2.gz BYIIGZJCCXETRT-WOJBJXKFSA-N 0 0 457.398 4.857 20 0 JJADRN O=C(CCCCCNC(=O)NC1CCCCC1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC001450703191 1067107569 /nfs/dbraw/zinc/10/75/69/1067107569.db2.gz VCCDMAKMYZVIJC-UHFFFAOYSA-N 0 0 458.578 4.865 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545800857 1067107994 /nfs/dbraw/zinc/10/79/94/1067107994.db2.gz NODMOYGQHKDRFX-SFTDATJTSA-N 0 0 463.667 4.833 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)OC(C)(C)C1)OC ZINC001545800756 1067108024 /nfs/dbraw/zinc/10/80/24/1067108024.db2.gz LUZUGLAPWJLFNJ-GBXCKJPGSA-N 0 0 480.657 4.976 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2=O)ccc1Br ZINC001458682088 1067108143 /nfs/dbraw/zinc/10/81/43/1067108143.db2.gz KAXBXRPQOFFFDE-NSHGMRRFSA-N 0 0 461.787 4.826 20 0 JJADRN CCOC(=O)c1nc(NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001458682412 1067108215 /nfs/dbraw/zinc/10/82/15/1067108215.db2.gz SYKXVBRPNVWFLB-CQSZACIVSA-N 0 0 456.381 4.612 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545801284 1067108671 /nfs/dbraw/zinc/10/86/71/1067108671.db2.gz UIGJUBDPFKSYCO-GHTZIAJQSA-N 0 0 463.667 4.833 20 0 JJADRN CC[C@H](Cc1ccccc1C)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001458685971 1067108804 /nfs/dbraw/zinc/10/88/04/1067108804.db2.gz SWXHSJXUIFKBAO-GCJKJVERSA-N 0 0 457.412 4.946 20 0 JJADRN CCN(CCC1CC1)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC001458683792 1067108913 /nfs/dbraw/zinc/10/89/13/1067108913.db2.gz LAGCLLLDBHVIKO-JYFHCDHNSA-N 0 0 450.579 4.837 20 0 JJADRN CC[C@@H](Cc1ccccc1C)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001458685930 1067108930 /nfs/dbraw/zinc/10/89/30/1067108930.db2.gz SWXHSJXUIFKBAO-AVRDEDQJSA-N 0 0 457.412 4.946 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@](C)(OC)CC1)OC ZINC001545801479 1067109287 /nfs/dbraw/zinc/10/92/87/1067109287.db2.gz WSXBKBXJAZPCHB-AMGIVPHBSA-N 0 0 496.656 4.831 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1)OC ZINC001545801487 1067109356 /nfs/dbraw/zinc/10/93/56/1067109356.db2.gz WVPZEBNAISIYRV-SGNDLWITSA-N 0 0 488.698 4.671 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)OC ZINC001545801323 1067109416 /nfs/dbraw/zinc/10/94/16/1067109416.db2.gz UTMFJWPWBFZXIT-JYFHCDHNSA-N 0 0 451.615 4.867 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1)OC ZINC001545801489 1067109466 /nfs/dbraw/zinc/10/94/66/1067109466.db2.gz WVPZEBNAISIYRV-VXNXHJTFSA-N 0 0 488.698 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1cccc(C(F)(F)F)n1)C2 ZINC001450714184 1067109358 /nfs/dbraw/zinc/10/93/58/1067109358.db2.gz ZIYYGZAHAUQWHO-JOCHJYFZSA-N 0 0 455.521 4.628 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)ccc1C(F)(F)F ZINC001450711549 1067109486 /nfs/dbraw/zinc/10/94/86/1067109486.db2.gz OTCOWONVVGQRQZ-UHFFFAOYSA-N 0 0 458.362 4.812 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1)OC ZINC001545801486 1067109469 /nfs/dbraw/zinc/10/94/69/1067109469.db2.gz WVPZEBNAISIYRV-HJOGWXRNSA-N 0 0 488.698 4.671 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC001450715825 1067109581 /nfs/dbraw/zinc/10/95/81/1067109581.db2.gz PTMRFMLMXWAJLV-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001545801575 1067109928 /nfs/dbraw/zinc/10/99/28/1067109928.db2.gz YOANDNKWTHIWIM-XZOQPEGZSA-N 0 0 487.048 4.751 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(C(F)F)c3)C2=O)ccc1Br ZINC001458687706 1067110201 /nfs/dbraw/zinc/11/02/01/1067110201.db2.gz ZOMJOSJVCGZONG-SFHVURJKSA-N 0 0 451.311 4.549 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450715844 1067110294 /nfs/dbraw/zinc/11/02/94/1067110294.db2.gz PZEFUKIXPPIZOZ-SFHVURJKSA-N 0 0 459.546 4.792 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1)OC ZINC001545802862 1067110460 /nfs/dbraw/zinc/11/04/60/1067110460.db2.gz CXJCLMQEMBWZRO-HSZRJFAPSA-N 0 0 458.622 4.999 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)[C@H]1C)OC ZINC001545802805 1067110486 /nfs/dbraw/zinc/11/04/86/1067110486.db2.gz BWMFUMIJFDLNBX-KNKQGSTJSA-N 0 0 470.687 4.688 20 0 JJADRN CCC(CC)[C@H](CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C)OC ZINC001545802998 1067111333 /nfs/dbraw/zinc/11/13/33/1067111333.db2.gz GFGJAVSMRPYDEY-PMACEKPBSA-N 0 0 475.638 4.669 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001458699580 1067111413 /nfs/dbraw/zinc/11/14/13/1067111413.db2.gz RVEYUZIIYQNLPB-LJQANCHMSA-N 0 0 454.939 4.808 20 0 JJADRN CCC(CC)[C@@H](CCn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C)OC ZINC001545803204 1067111911 /nfs/dbraw/zinc/11/19/11/1067111911.db2.gz JOICUMBBQAPLCE-MOPGFXCFSA-N 0 0 462.639 4.501 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2ccccc2C)nnc1N1CCc2c(cc[nH]c2=O)C1)OC ZINC001545803156 1067112026 /nfs/dbraw/zinc/11/20/26/1067112026.db2.gz ITTTYEVTBLLPCO-DEOSSOPVSA-N 0 0 463.626 4.682 20 0 JJADRN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC001458703019 1067112069 /nfs/dbraw/zinc/11/20/69/1067112069.db2.gz DTFWFLVVVFRJLD-KRWDZBQOSA-N 0 0 459.449 4.735 20 0 JJADRN Cc1noc(-c2ccc(CNC(=O)c3cnc(-c4ccccc4Br)s3)cc2)n1 ZINC001458704761 1067112096 /nfs/dbraw/zinc/11/20/96/1067112096.db2.gz HJIKNKKJYWAJKD-UHFFFAOYSA-N 0 0 455.337 4.861 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001450729847 1067112198 /nfs/dbraw/zinc/11/21/98/1067112198.db2.gz NNKJCHWRTIIJFN-OYHNWAKOSA-N 0 0 456.951 4.701 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001450730699 1067112299 /nfs/dbraw/zinc/11/22/99/1067112299.db2.gz IYCZTMWSPKPSKX-CQSZACIVSA-N 0 0 456.180 4.950 20 0 JJADRN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccc2ccc(Br)cc2c1 ZINC001458709320 1067112875 /nfs/dbraw/zinc/11/28/75/1067112875.db2.gz DTBXRLDXONNPTA-UHFFFAOYSA-N 0 0 451.320 4.894 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001450735312 1067112907 /nfs/dbraw/zinc/11/29/07/1067112907.db2.gz QDVFEILJFITOLX-OAQYLSRUSA-N 0 0 454.452 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001450736165 1067112926 /nfs/dbraw/zinc/11/29/26/1067112926.db2.gz CJKJZVMXVZFBOY-SFHVURJKSA-N 0 0 450.461 4.664 20 0 JJADRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1nc(Br)sc1Cl ZINC001450733069 1067112936 /nfs/dbraw/zinc/11/29/36/1067112936.db2.gz SHROIFXOGASQRN-MRVPVSSYSA-N 0 0 453.164 4.702 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Cl)cc3Nc3ccc(F)cc3)ccc2c1=O ZINC001450735794 1067112997 /nfs/dbraw/zinc/11/29/97/1067112997.db2.gz BZUXIPDBCNCPJJ-UHFFFAOYSA-N 0 0 452.873 4.910 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N[C@H](c3ccn(C)n3)c3ccc(Cl)cc3)on2)c1 ZINC001458715197 1067114195 /nfs/dbraw/zinc/11/41/95/1067114195.db2.gz QWLFOTFBSLQXBO-NRFANRHFSA-N 0 0 457.317 4.910 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)ccc1F ZINC001458716550 1067114222 /nfs/dbraw/zinc/11/42/22/1067114222.db2.gz WZWAXZYQEHYUNU-UHFFFAOYSA-N 0 0 452.551 4.772 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1c(C)nc(C2CC2)nc1SC ZINC001546102909 1067114752 /nfs/dbraw/zinc/11/47/52/1067114752.db2.gz RWGTUYCMRJDJLD-UHFFFAOYSA-N 0 0 450.402 4.518 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1Cc2ccc(Br)cc2C1 ZINC001458716524 1067114759 /nfs/dbraw/zinc/11/47/59/1067114759.db2.gz QJOHYYUVRCYLKQ-UHFFFAOYSA-N 0 0 452.139 4.552 20 0 JJADRN CC(C)CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC001450745991 1067114960 /nfs/dbraw/zinc/11/49/60/1067114960.db2.gz WUWBGGVKVNVCCU-UHFFFAOYSA-N 0 0 458.580 4.505 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)cc1 ZINC001450744076 1067115085 /nfs/dbraw/zinc/11/50/85/1067115085.db2.gz HPHCJJNFFVOETK-IPHXSNPTSA-N 0 0 458.484 4.913 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccccc2C)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)OC ZINC001545804074 1067115466 /nfs/dbraw/zinc/11/54/66/1067115466.db2.gz ZLBNRTKTZHPIBV-UFHPHHKVSA-N 0 0 484.685 4.793 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1)OC 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1067140662 /nfs/dbraw/zinc/14/06/62/1067140662.db2.gz CPBIIRUHDVBHLG-CVEARBPZSA-N 0 0 456.921 4.818 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(Br)s3)n2N)cc1 ZINC001458775739 1067140805 /nfs/dbraw/zinc/14/08/05/1067140805.db2.gz MNEZBSWYVWTAFG-UHFFFAOYSA-N 0 0 453.431 4.985 20 0 JJADRN CC[C@H]1C[C@H](CC(=O)Oc2ccc(I)c(Br)c2)CCO1 ZINC001458776057 1067141209 /nfs/dbraw/zinc/14/12/09/1067141209.db2.gz MLHOGSPWIASBQP-MNOVXSKESA-N 0 0 453.114 4.554 20 0 JJADRN Cc1c(CC(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)nnn1-c1ccccc1 ZINC001458777147 1067141787 /nfs/dbraw/zinc/14/17/87/1067141787.db2.gz WJMVFVILMZLZQJ-SFHVURJKSA-N 0 0 456.390 4.947 20 0 JJADRN C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccccc2F)[C@@H]1C ZINC001458777154 1067141839 /nfs/dbraw/zinc/14/18/39/1067141839.db2.gz KJMAUEXTXHMINA-YVHKJVDXSA-N 0 0 453.583 4.941 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cc(Cl)cc2ccccc21 ZINC001451041517 1067141966 /nfs/dbraw/zinc/14/19/66/1067141966.db2.gz HHQCFYJPOPWCSS-AWEZNQCLSA-N 0 0 450.735 4.976 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1cc(Cl)cc2ccccc21 ZINC001451041539 1067141988 /nfs/dbraw/zinc/14/19/88/1067141988.db2.gz HHQCFYJPOPWCSS-CQSZACIVSA-N 0 0 450.735 4.976 20 0 JJADRN CCOc1ccc(-n2c(S[C@H](C)C(=O)N(C)C(C)C)nnc2-c2ccc(OC)cc2)cc1 ZINC001458778851 1067142263 /nfs/dbraw/zinc/14/22/63/1067142263.db2.gz XQVUDGDUMVPQTK-QGZVFWFLSA-N 0 0 454.596 4.689 20 0 JJADRN COc1cc(C(=O)Oc2ccc(C)nc2Br)cc(OC)c1OCc1ccccc1 ZINC001458778567 1067142275 /nfs/dbraw/zinc/14/22/75/1067142275.db2.gz LXTIOGDBEQRMEX-UHFFFAOYSA-N 0 0 458.308 4.968 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458779370 1067142372 /nfs/dbraw/zinc/14/23/72/1067142372.db2.gz DJNOAYNNIPDKMG-CVEARBPZSA-N 0 0 450.398 4.789 20 0 JJADRN CO[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001545813376 1067142476 /nfs/dbraw/zinc/14/24/76/1067142476.db2.gz GAMYXZXZLXCESN-DFBJGRDBSA-N 0 0 450.579 4.529 20 0 JJADRN Cc1cc(CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)ccc1Br ZINC001451043133 1067142686 /nfs/dbraw/zinc/14/26/86/1067142686.db2.gz XYDBRRAYXAIZMR-GFCCVEGCSA-N 0 0 454.390 4.730 20 0 JJADRN COC(=O)[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccc(F)cc1 ZINC001458780386 1067142928 /nfs/dbraw/zinc/14/29/28/1067142928.db2.gz ISTIICDQBJSBPX-HXUWFJFHSA-N 0 0 456.445 4.809 20 0 JJADRN CCn1c(SC[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nnc1-c1cccc(C)c1 ZINC001458780620 1067143371 /nfs/dbraw/zinc/14/33/71/1067143371.db2.gz NCHHXPFQMAJAEZ-NTKDMRAZSA-N 0 0 458.628 4.782 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)C)C1 ZINC001546103558 1067144103 /nfs/dbraw/zinc/14/41/03/1067144103.db2.gz OGGQQDOPTNJNAQ-NRFANRHFSA-N 0 0 455.647 4.966 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)C)C1 ZINC001546103559 1067144157 /nfs/dbraw/zinc/14/41/57/1067144157.db2.gz OGGQQDOPTNJNAQ-OAQYLSRUSA-N 0 0 455.647 4.966 20 0 JJADRN CNc1cc(I)ccc1C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC001451088919 1067145238 /nfs/dbraw/zinc/14/52/38/1067145238.db2.gz OIPBKNMDQMHYMX-UHFFFAOYSA-N 0 0 454.739 4.739 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)[C@H](O)C(F)(F)F ZINC001451077000 1067145321 /nfs/dbraw/zinc/14/53/21/1067145321.db2.gz BHODMXKJMDEZPB-ZMZPIMSZSA-N 0 0 453.258 4.706 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)[C@H](O)C(F)(F)F ZINC001451076990 1067145342 /nfs/dbraw/zinc/14/53/42/1067145342.db2.gz BHODMXKJMDEZPB-VOJFVSQTSA-N 0 0 453.258 4.706 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)C1 ZINC001546103694 1067145901 /nfs/dbraw/zinc/14/59/01/1067145901.db2.gz TXFXAPYPLBJPRY-HYHKQLJDSA-N 0 0 462.635 4.875 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)C1 ZINC001546103696 1067145941 /nfs/dbraw/zinc/14/59/41/1067145941.db2.gz TXFXAPYPLBJPRY-ZUQCGGBESA-N 0 0 462.635 4.875 20 0 JJADRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(I)c(Cl)c1 ZINC001458786393 1067146436 /nfs/dbraw/zinc/14/64/36/1067146436.db2.gz YQDDSJCFBZGKKX-PBHICJAKSA-N 0 0 459.686 4.734 20 0 JJADRN COc1ccc(COCCSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1 ZINC001458786647 1067146619 /nfs/dbraw/zinc/14/66/19/1067146619.db2.gz UUVNPLHMZVUWMR-UHFFFAOYSA-N 0 0 454.498 4.981 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2nc(C)cc2C)C1 ZINC001546103764 1067147352 /nfs/dbraw/zinc/14/73/52/1067147352.db2.gz WCWCQBFIPNWJKO-UHFFFAOYSA-N 0 0 498.075 4.782 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cnn1-c1ccc(C)cc1 ZINC001451123532 1067147564 /nfs/dbraw/zinc/14/75/64/1067147564.db2.gz BHIVMTLUQOXHNX-SLFFLAALSA-N 0 0 452.599 4.509 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)oc1-c1ccccc1 ZINC001451126723 1067148095 /nfs/dbraw/zinc/14/80/95/1067148095.db2.gz FMCJSMZLBSJHSR-PCCBWWKXSA-N 0 0 453.583 4.734 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001546103824 1067148686 /nfs/dbraw/zinc/14/86/86/1067148686.db2.gz XYBMQWSNRZZWQV-VXKWHMMOSA-N 0 0 453.631 4.601 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001451137037 1067148764 /nfs/dbraw/zinc/14/87/64/1067148764.db2.gz LZIITTCVGBWBJW-CEXWTWQISA-N 0 0 454.567 4.638 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c2c(n1)onc2C(C)C ZINC001451131714 1067148825 /nfs/dbraw/zinc/14/88/25/1067148825.db2.gz IKNVVYIUMLTXNB-SOLBZPMBSA-N 0 0 456.587 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@H]2C1 ZINC001451142827 1067149195 /nfs/dbraw/zinc/14/91/95/1067149195.db2.gz PYSDGOMFXNQIGJ-IHRRRGAJSA-N 0 0 451.976 4.822 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1C ZINC001451142094 1067149404 /nfs/dbraw/zinc/14/94/04/1067149404.db2.gz AQEJFLFWVYFRAU-HXUWFJFHSA-N 0 0 451.592 4.640 20 0 JJADRN O=C(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001458804561 1067150388 /nfs/dbraw/zinc/15/03/88/1067150388.db2.gz SWAMXHADSBPVPG-UHFFFAOYSA-N 0 0 453.123 4.613 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)CC(=O)N2C)cc1 ZINC001458806692 1067150455 /nfs/dbraw/zinc/15/04/55/1067150455.db2.gz BZJBPVCSFNPULY-AUSIDOKSSA-N 0 0 459.373 4.837 20 0 JJADRN CCC[C@H](O)[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1Cl)CC2 ZINC001451149944 1067150632 /nfs/dbraw/zinc/15/06/32/1067150632.db2.gz HDHFNLIZLVFNEC-XLJDDZJLSA-N 0 0 450.966 4.627 20 0 JJADRN Cc1cccc(C)c1-n1c(-c2ccc(Cl)cc2)cnc1SCCS(=O)(=O)N(C)C ZINC001458807850 1067151197 /nfs/dbraw/zinc/15/11/97/1067151197.db2.gz FEVLZYLJKQEPIA-UHFFFAOYSA-N 0 0 450.029 4.793 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C)C[C@H](O)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001546028750 1067151247 /nfs/dbraw/zinc/15/12/47/1067151247.db2.gz MSVKKSJCWRWNKM-DWXRJYCRSA-N 0 0 459.521 4.929 20 0 JJADRN O=C(CSc1ccccc1Br)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451178907 1067151962 /nfs/dbraw/zinc/15/19/62/1067151962.db2.gz MPBFTKUTRWJPMS-HNNXBMFYSA-N 0 0 452.336 4.749 20 0 JJADRN COc1cc(OC)c(Cn2nccc2NC(=O)c2oc3ccc(Cl)cc3c2C)c(OC)c1 ZINC001458810687 1067152005 /nfs/dbraw/zinc/15/20/05/1067152005.db2.gz NYWPXWKFNWBZNF-UHFFFAOYSA-N 0 0 455.898 4.918 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)OCc3nc(-c4c(F)cccc4F)cs3)c2)o1 ZINC001458812507 1067152580 /nfs/dbraw/zinc/15/25/80/1067152580.db2.gz GWTLUXYTPKOUDU-UHFFFAOYSA-N 0 0 457.458 4.684 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1nccn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC001458812736 1067152597 /nfs/dbraw/zinc/15/25/97/1067152597.db2.gz NHTFQIWGQHGMOG-JOCHJYFZSA-N 0 0 457.983 4.903 20 0 JJADRN O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC001458814423 1067153294 /nfs/dbraw/zinc/15/32/94/1067153294.db2.gz BTAXRDBVZDLKDB-UHFFFAOYSA-N 0 0 451.320 4.973 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c2ccccc21 ZINC001451196376 1067153354 /nfs/dbraw/zinc/15/33/54/1067153354.db2.gz RXFUBAPWQINBPW-GNSUPJDDSA-N 0 0 472.607 4.756 20 0 JJADRN CCOC(=O)C1=C(COc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001458815749 1067153599 /nfs/dbraw/zinc/15/35/99/1067153599.db2.gz DWRHHVVDSAXGQP-GOSISDBHSA-N 0 0 455.725 4.897 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(C)s1 ZINC001451207824 1067153966 /nfs/dbraw/zinc/15/39/66/1067153966.db2.gz GACRIZBNVJWMKW-UHFFFAOYSA-N 0 0 458.561 4.513 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3CCC(F)(F)F)nc12 ZINC001458817941 1067154436 /nfs/dbraw/zinc/15/44/36/1067154436.db2.gz WKKAOOPGFHGGBG-UHFFFAOYSA-N 0 0 454.290 4.873 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451241201 1067154562 /nfs/dbraw/zinc/15/45/62/1067154562.db2.gz DBVYYNNWPQQMIG-RNODOKPDSA-N 0 0 458.427 4.584 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451241195 1067154605 /nfs/dbraw/zinc/15/46/05/1067154605.db2.gz DBVYYNNWPQQMIG-RBZFPXEDSA-N 0 0 458.427 4.584 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CCCOc3ccc(Cl)cc3)nc12 ZINC001458819323 1067154843 /nfs/dbraw/zinc/15/48/43/1067154843.db2.gz ZILFVWFPTLYOSZ-UHFFFAOYSA-N 0 0 450.764 4.577 20 0 JJADRN Cc1cc(CCC(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)ccc1Br ZINC001451243831 1067155129 /nfs/dbraw/zinc/15/51/29/1067155129.db2.gz IQDVVOUWBCVYJB-JOCHJYFZSA-N 0 0 452.339 4.941 20 0 JJADRN Cc1cc(CCC(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)ccc1Br ZINC001451243834 1067155137 /nfs/dbraw/zinc/15/51/37/1067155137.db2.gz IQDVVOUWBCVYJB-QFIPXVFZSA-N 0 0 452.339 4.941 20 0 JJADRN C[C@@H](C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1)C(C)(F)F ZINC001451244855 1067155233 /nfs/dbraw/zinc/15/52/33/1067155233.db2.gz KSYFUWFFGJUQBQ-HNNXBMFYSA-N 0 0 454.562 4.522 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001458820663 1067156093 /nfs/dbraw/zinc/15/60/93/1067156093.db2.gz OKABMIVAMBHXEK-QFIPXVFZSA-N 0 0 458.389 4.998 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001546103969 1067156179 /nfs/dbraw/zinc/15/61/79/1067156179.db2.gz CTYLSPDIUZRWFL-HKUYNNGSSA-N 0 0 456.505 4.546 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451251081 1067156217 /nfs/dbraw/zinc/15/62/17/1067156217.db2.gz LJZYPTDLOUUBAQ-HXUWFJFHSA-N 0 0 458.730 4.895 20 0 JJADRN C[S@@](=N)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001451260015 1067156321 /nfs/dbraw/zinc/15/63/21/1067156321.db2.gz MWZRVNSLOCNTNG-IZPCHGGPSA-N 0 0 454.379 4.520 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001451256498 1067156366 /nfs/dbraw/zinc/15/63/66/1067156366.db2.gz QYTZYQQYKRIAJU-IBGZPJMESA-N 0 0 459.631 4.906 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001458822756 1067156651 /nfs/dbraw/zinc/15/66/51/1067156651.db2.gz GOTPJNOBQGDCKM-UHFFFAOYSA-N 0 0 457.699 4.599 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001546029771 1067157163 /nfs/dbraw/zinc/15/71/63/1067157163.db2.gz QDEMZXXHDSHKFB-MRXNPFEDSA-N 0 0 480.510 4.692 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC001458825252 1067158070 /nfs/dbraw/zinc/15/80/70/1067158070.db2.gz YYTZZVIRAFFYNU-OAQYLSRUSA-N 0 0 454.958 4.538 20 0 JJADRN COCCC(C)(C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC001458825435 1067158407 /nfs/dbraw/zinc/15/84/07/1067158407.db2.gz JUMZRNHORVDEHJ-UHFFFAOYSA-N 0 0 456.970 4.774 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC3CCCCC3)n2C)c1 ZINC001458825845 1067159140 /nfs/dbraw/zinc/15/91/40/1067159140.db2.gz GCPVTUZSIKVOSI-UHFFFAOYSA-N 0 0 450.674 4.965 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCC(Cc4cccc(F)c4F)CC3)n2)cc1 ZINC001451327851 1067160055 /nfs/dbraw/zinc/16/00/55/1067160055.db2.gz OCTGMKBOLHNRRC-UHFFFAOYSA-N 0 0 455.505 4.827 20 0 JJADRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001545820963 1067160460 /nfs/dbraw/zinc/16/04/60/1067160460.db2.gz OEMQTESXSQFTBW-UHFFFAOYSA-N 0 0 458.849 4.501 20 0 JJADRN C[C@@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1ccnn1C ZINC001458829096 1067160759 /nfs/dbraw/zinc/16/07/59/1067160759.db2.gz ZYGWZQINVAISAO-AWEZNQCLSA-N 0 0 455.381 4.794 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCO[C@@H](C)C2)on1 ZINC001545821421 1067161286 /nfs/dbraw/zinc/16/12/86/1067161286.db2.gz CLJLYMLDNLFPDB-IBGZPJMESA-N 0 0 480.613 4.702 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CCCC1 ZINC001451349597 1067161384 /nfs/dbraw/zinc/16/13/84/1067161384.db2.gz ZZKPCNJCODVPSU-UHFFFAOYSA-N 0 0 455.549 4.558 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1S[C@H]1CCCCCC1=O ZINC001458830415 1067161391 /nfs/dbraw/zinc/16/13/91/1067161391.db2.gz AHYJNPCYEZYUBX-NRFANRHFSA-N 0 0 451.658 4.861 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2ccc(OC)cc2)on1 ZINC001545821619 1067161722 /nfs/dbraw/zinc/16/17/22/1067161722.db2.gz HRNSCASKHFGMJJ-QHCPKHFHSA-N 0 0 480.613 4.706 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)cc1OCC ZINC001451375586 1067161845 /nfs/dbraw/zinc/16/18/45/1067161845.db2.gz FDTANHIJTAKVOL-WIYYLYMNSA-N 0 0 458.986 4.710 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)c2ccc(C)c(F)c2)CCC3)o1 ZINC001458832832 1067161910 /nfs/dbraw/zinc/16/19/10/1067161910.db2.gz NVIQMVRBQZJOHJ-LUAWRHEFSA-N 0 0 453.491 4.947 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)C)C2)on1 ZINC001545821794 1067162457 /nfs/dbraw/zinc/16/24/57/1067162457.db2.gz MHAPVGHNUXPRNZ-XMMPIXPASA-N 0 0 494.640 4.948 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccc1F ZINC001451381573 1067162488 /nfs/dbraw/zinc/16/24/88/1067162488.db2.gz UWMSOLSORAOKOA-FXAWDEMLSA-N 0 0 481.490 4.933 20 0 JJADRN CC1(CC(F)(F)F)CN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC001451386411 1067162513 /nfs/dbraw/zinc/16/25/13/1067162513.db2.gz FULDABUNXGPKFN-UHFFFAOYSA-N 0 0 459.262 4.638 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)N3CCCC3)nnc2N(CC)Cc2ccccc2F)on1 ZINC001545822016 1067162875 /nfs/dbraw/zinc/16/28/75/1067162875.db2.gz RAWJCIBMRRFJMM-UHFFFAOYSA-N 0 0 468.577 4.620 20 0 JJADRN C[C@@H](CCOc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451390354 1067163670 /nfs/dbraw/zinc/16/36/70/1067163670.db2.gz LZARDBZBVDMUBM-OFAXGOBFSA-N 0 0 456.558 4.750 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)C[C@H]1c1cccc(F)c1 ZINC001451390276 1067163683 /nfs/dbraw/zinc/16/36/83/1067163683.db2.gz LYNNZNVKLXEIOJ-LEWJYISDSA-N 0 0 471.960 4.953 20 0 JJADRN CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)C(F)F)CCCC4)cc1 ZINC001458835482 1067164231 /nfs/dbraw/zinc/16/42/31/1067164231.db2.gz PTJKSDXCMZCNNX-UHFFFAOYSA-N 0 0 450.532 4.651 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)ccc1OC(C)C ZINC001451395257 1067164296 /nfs/dbraw/zinc/16/42/96/1067164296.db2.gz YRJYRSPHSPGKGG-LEWJYISDSA-N 0 0 472.557 4.754 20 0 JJADRN COc1ccc2c(CC(=O)N3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)coc2c1 ZINC001451393963 1067164305 /nfs/dbraw/zinc/16/43/05/1067164305.db2.gz SJGKVSBLOLIKAJ-FCHUYYIVSA-N 0 0 468.525 4.642 20 0 JJADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCc1ncc(C)s1 ZINC001458835735 1067164308 /nfs/dbraw/zinc/16/43/08/1067164308.db2.gz QPQAFZJIWRSPSE-UHFFFAOYSA-N 0 0 454.415 4.643 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C[C@@H](c2ccccc2)C1 ZINC001451395861 1067164386 /nfs/dbraw/zinc/16/43/86/1067164386.db2.gz CVOCFYFHGRJBFY-VJBMBRPKSA-N 0 0 456.030 4.786 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)OC(C)(C)C)nc3sc4c(c3c2=O)CCC4)cc1 ZINC001458836532 1067164905 /nfs/dbraw/zinc/16/49/05/1067164905.db2.gz OVYGDXYRHXABOH-UHFFFAOYSA-N 0 0 458.605 4.768 20 0 JJADRN CCCCCC[C@@H](O)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451406516 1067165667 /nfs/dbraw/zinc/16/56/67/1067165667.db2.gz WSLFKVPBRMLKLV-BHIFYINESA-N 0 0 450.595 4.756 20 0 JJADRN Cc1cc2c(cc1NC(=O)C1(Cc3ccc(F)cc3Br)CCOCC1)OCO2 ZINC001458837874 1067166273 /nfs/dbraw/zinc/16/62/73/1067166273.db2.gz SACCHALANRCCIT-UHFFFAOYSA-N 0 0 450.304 4.603 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NC[C@H](O)c1ccccc1Br)c1ccccc1 ZINC001451408442 1067166236 /nfs/dbraw/zinc/16/62/36/1067166236.db2.gz FXMYCGMGEMXNOM-GMAHTHKFSA-N 0 0 454.364 4.981 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001545823394 1067166429 /nfs/dbraw/zinc/16/64/29/1067166429.db2.gz LFYRNSALDUJNKT-OKILXGFUSA-N 0 0 477.407 4.589 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](C)(CC)C2)on1 ZINC001545823328 1067166445 /nfs/dbraw/zinc/16/64/45/1067166445.db2.gz IUTQAUMQIXWRDR-RUZDIDTESA-N 0 0 485.654 4.915 20 0 JJADRN O=C(Cc1ccc(Br)cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458839428 1067166706 /nfs/dbraw/zinc/16/67/06/1067166706.db2.gz NSPKUMQZOLZLQX-UHFFFAOYSA-N 0 0 453.174 4.824 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2cnccc2C(C)(C)C)[C@@H]1c1ccc(OC)cc1 ZINC001451409540 1067166846 /nfs/dbraw/zinc/16/68/46/1067166846.db2.gz GCWWCXFRLMEVKK-DHLKQENFSA-N 0 0 451.611 4.784 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)[nH]n2)cc1C ZINC001451411182 1067167487 /nfs/dbraw/zinc/16/74/87/1067167487.db2.gz MPURLDFICRUQEU-GBXCKJPGSA-N 0 0 478.568 4.966 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1 ZINC001545823551 1067167440 /nfs/dbraw/zinc/16/74/40/1067167440.db2.gz PPORDSSDUKPQSB-SFHVURJKSA-N 0 0 495.628 4.726 20 0 JJADRN O=C(Cc1ccccc1Br)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458841127 1067167516 /nfs/dbraw/zinc/16/75/16/1067167516.db2.gz SFBUPTQDHUTXQK-UHFFFAOYSA-N 0 0 453.174 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCCc2c(F)cccc2F)C[C@H]1c1ccccc1F ZINC001451412197 1067168117 /nfs/dbraw/zinc/16/81/17/1067168117.db2.gz PUIINLSODCMPAR-PGRDOPGGSA-N 0 0 462.512 4.946 20 0 JJADRN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458842303 1067168660 /nfs/dbraw/zinc/16/86/60/1067168660.db2.gz XKQDMDCGZHCMNA-OAHLLOKOSA-N 0 0 450.760 4.724 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(Br)cnc1Br)[C@H]2C ZINC001458842400 1067168670 /nfs/dbraw/zinc/16/86/70/1067168670.db2.gz QWTVDNJISCVSCY-MNOVXSKESA-N 0 0 454.162 4.763 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1F ZINC001451413301 1067169374 /nfs/dbraw/zinc/16/93/74/1067169374.db2.gz VJGBYDRHSGTASH-PKOBYXMFSA-N 0 0 450.457 4.560 20 0 JJADRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458843548 1067169349 /nfs/dbraw/zinc/16/93/49/1067169349.db2.gz ODNGJPRDGJKIPY-HUUCEWRRSA-N 0 0 450.486 4.809 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C(C)C)C2)on1 ZINC001545824761 1067169820 /nfs/dbraw/zinc/16/98/20/1067169820.db2.gz IOENWTVJYDSJJQ-HSZRJFAPSA-N 0 0 473.568 4.948 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1F ZINC001458845750 1067169848 /nfs/dbraw/zinc/16/98/48/1067169848.db2.gz UQCZHPAQUOOVFC-MOSHPQCFSA-N 0 0 451.433 4.635 20 0 JJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001458846591 1067170526 /nfs/dbraw/zinc/17/05/26/1067170526.db2.gz PYPWVGJINRLSPJ-NQIIRXRSSA-N 0 0 459.999 4.884 20 0 JJADRN O=C(N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC001458848314 1067171203 /nfs/dbraw/zinc/17/12/03/1067171203.db2.gz GCYCHQLGPOZCIH-INIZCTEOSA-N 0 0 456.306 4.950 20 0 JJADRN COC[C@@H](CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3)OC ZINC001458848739 1067171232 /nfs/dbraw/zinc/17/12/32/1067171232.db2.gz AXMJCVWCMJJILZ-AEFFLSMTSA-N 0 0 458.649 4.579 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)CCSCC1 ZINC001451432542 1067171287 /nfs/dbraw/zinc/17/12/87/1067171287.db2.gz RGVMMJFEHQAEPY-UHFFFAOYSA-N 0 0 451.632 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 ZINC001451430789 1067171397 /nfs/dbraw/zinc/17/13/97/1067171397.db2.gz IWZTZUGZNMDBCL-RPWUZVMVSA-N 0 0 452.595 4.693 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](COC)C2)on1 ZINC001545825198 1067171629 /nfs/dbraw/zinc/17/16/29/1067171629.db2.gz VUYQBMJEUJMJHO-SFHVURJKSA-N 0 0 472.659 4.827 20 0 JJADRN CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3 ZINC001458849570 1067171939 /nfs/dbraw/zinc/17/19/39/1067171939.db2.gz BOSYFWBXYSLTRA-MRXNPFEDSA-N 0 0 456.633 4.869 20 0 JJADRN Cc1cc(-c2cc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c3c(C)noc3n2)c(C)s1 ZINC001545825658 1067172229 /nfs/dbraw/zinc/17/22/29/1067172229.db2.gz OZZGONTWHJVMPN-UHFFFAOYSA-N 0 0 458.584 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001451462177 1067173149 /nfs/dbraw/zinc/17/31/49/1067173149.db2.gz MJAYFJFAKBZBPU-IBGZPJMESA-N 0 0 459.587 4.502 20 0 JJADRN Cc1ccc(-c2nnc([C@H](C)Sc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)o2)cc1C ZINC001458852357 1067173189 /nfs/dbraw/zinc/17/31/89/1067173189.db2.gz MPVRAWCANBKLCD-AWEZNQCLSA-N 0 0 458.565 4.598 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)on1 ZINC001545826249 1067173381 /nfs/dbraw/zinc/17/33/81/1067173381.db2.gz IVDUSUGJXQFSRC-CALCHBBNSA-N 0 0 457.550 4.550 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@H](C(F)(F)F)CC[C@H]3C)cc2)cc1 ZINC001458852817 1067173757 /nfs/dbraw/zinc/17/37/57/1067173757.db2.gz FZMUYFHECNCQAJ-SJLPKXTDSA-N 0 0 454.514 4.623 20 0 JJADRN CCOc1cccc(CN(CCO)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 ZINC001451467571 1067173857 /nfs/dbraw/zinc/17/38/57/1067173857.db2.gz FOEGZDXXQLLJMB-UHFFFAOYSA-N 0 0 450.482 4.862 20 0 JJADRN CCOc1cccc(CN(CCO)C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1 ZINC001451474818 1067173945 /nfs/dbraw/zinc/17/39/45/1067173945.db2.gz WERMFFRNJCJBCG-UHFFFAOYSA-N 0 0 456.926 4.527 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cnc(Cl)c(F)c1)n2CC ZINC001458855775 1067174195 /nfs/dbraw/zinc/17/41/95/1067174195.db2.gz XNNMWZPHAPHCTH-UHFFFAOYSA-N 0 0 456.996 4.567 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c3nnc(SC[C@@](C)(O)C(F)F)n3c3ccccc3c2=O)cc1 ZINC001458854671 1067174281 /nfs/dbraw/zinc/17/42/81/1067174281.db2.gz NGDQIIMOGGHSMC-QKFKETGDSA-N 0 0 458.534 4.655 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CCc1ccsc1 ZINC001545826490 1067174584 /nfs/dbraw/zinc/17/45/84/1067174584.db2.gz OGBPFHOIWYFTKI-HNNXBMFYSA-N 0 0 461.582 4.976 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC001451476975 1067174633 /nfs/dbraw/zinc/17/46/33/1067174633.db2.gz VOCQZTAEZJTQAZ-HSZRJFAPSA-N 0 0 453.380 4.648 20 0 JJADRN COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001458855664 1067175007 /nfs/dbraw/zinc/17/50/07/1067175007.db2.gz BBNDAQBQTYHLOJ-KRWDZBQOSA-N 0 0 452.580 4.510 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3C[C@H](C)C[C@H]3CC)nnc2[C@@]2(OC(C)C)CCOC2)on1 ZINC001545826580 1067175080 /nfs/dbraw/zinc/17/50/80/1067175080.db2.gz QJINIMXTENPMQQ-RQBNJVACSA-N 0 0 459.635 4.883 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)on1 ZINC001545826559 1067175092 /nfs/dbraw/zinc/17/50/92/1067175092.db2.gz PQSDAMPXMOVEKG-IBGZPJMESA-N 0 0 454.623 4.565 20 0 JJADRN COCC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl ZINC001451508096 1067175189 /nfs/dbraw/zinc/17/51/89/1067175189.db2.gz QZGJUJGOCYJKKY-CYBMUJFWSA-N 0 0 459.395 4.505 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC001451502272 1067175284 /nfs/dbraw/zinc/17/52/84/1067175284.db2.gz HBNOQSZZMZMABM-GOSISDBHSA-N 0 0 454.405 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CC1(CC)CCOCC1 ZINC001545826740 1067175707 /nfs/dbraw/zinc/17/57/07/1067175707.db2.gz SNBALEHCOQDKRD-KRWDZBQOSA-N 0 0 477.600 4.879 20 0 JJADRN CN(C(=O)c1cccc(C(=O)N2CCCC2)n1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458860275 1067176195 /nfs/dbraw/zinc/17/61/95/1067176195.db2.gz BDSWOFHDEOIDOO-QGZVFWFLSA-N 0 0 459.390 4.712 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCC(NC(=O)c4ccsc4)CC3)nnc2C(C)(C)C)on1 ZINC001545826817 1067176214 /nfs/dbraw/zinc/17/62/14/1067176214.db2.gz UMKKMAGGJNIZNX-UHFFFAOYSA-N 0 0 484.670 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCC1(F)CCC1 ZINC001545826854 1067176727 /nfs/dbraw/zinc/17/67/27/1067176727.db2.gz VFIJAMHXLYRDPI-OAHLLOKOSA-N 0 0 451.537 4.954 20 0 JJADRN Cc1cc(NC(=O)C(F)(F)c2cccc(Br)c2)ccc1-n1nnnc1C(C)C ZINC001458862476 1067177166 /nfs/dbraw/zinc/17/71/66/1067177166.db2.gz OGWPWQYWQMMUPY-UHFFFAOYSA-N 0 0 450.287 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1(C)C ZINC001451535376 1067177196 /nfs/dbraw/zinc/17/71/96/1067177196.db2.gz FTZVGMVBSRXNAB-UHFFFAOYSA-N 0 0 450.004 4.864 20 0 JJADRN COC(=O)c1cccc([C@@H](Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(=O)OC)c1 ZINC001458862090 1067177265 /nfs/dbraw/zinc/17/72/65/1067177265.db2.gz LBDXTXSZICVWJS-OAQYLSRUSA-N 0 0 459.527 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1(C)C ZINC001451535601 1067177240 /nfs/dbraw/zinc/17/72/40/1067177240.db2.gz GXYKUJZXHILQCL-UHFFFAOYSA-N 0 0 450.539 4.604 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)c1 ZINC001451531396 1067177299 /nfs/dbraw/zinc/17/72/99/1067177299.db2.gz ATGNNVVEKXPFEN-UHFFFAOYSA-N 0 0 457.979 4.554 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)OC(C)(C)C2)on1 ZINC001545827037 1067177378 /nfs/dbraw/zinc/17/73/78/1067177378.db2.gz ZBJUSGZGWCMDBQ-GOSISDBHSA-N 0 0 483.613 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001545826992 1067177428 /nfs/dbraw/zinc/17/74/28/1067177428.db2.gz YMKRVXFUXRPAJA-RCCFBDPRSA-N 0 0 477.600 4.877 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001451537220 1067177429 /nfs/dbraw/zinc/17/74/29/1067177429.db2.gz KVEJTOYWSBFTPL-UHFFFAOYSA-N 0 0 451.567 4.719 20 0 JJADRN COC(=O)[C@H]1C[C@@H](NC(=O)CCc2c3cccc(Br)c3[nH]c2-c2ccccc2)C1 ZINC001451539032 1067177716 /nfs/dbraw/zinc/17/77/16/1067177716.db2.gz WFMCURGJNSRWNI-IYBDPMFKSA-N 0 0 455.352 4.598 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2ccc(Nc3ccccc3OC)cc2)c1 ZINC001451542621 1067177880 /nfs/dbraw/zinc/17/78/80/1067177880.db2.gz RNYKZLXYMCQOHV-UHFFFAOYSA-N 0 0 458.967 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1C[C@H]1CCCOC1 ZINC001545827045 1067177899 /nfs/dbraw/zinc/17/78/99/1067177899.db2.gz ZCRGUJXVEPXUQJ-ZWKOTPCHSA-N 0 0 453.587 4.567 20 0 JJADRN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CSc2n[nH]c(-c3ccccc3O)n2)cc1 ZINC001458864504 1067177919 /nfs/dbraw/zinc/17/79/19/1067177919.db2.gz YTYXMNHAMRJIMJ-MRXNPFEDSA-N 0 0 456.568 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545828316 1067178350 /nfs/dbraw/zinc/17/83/50/1067178350.db2.gz QQEDYFVHQCBCCA-JGBTYHIZSA-N 0 0 455.647 4.987 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1Cc1ccc(N2CCCCC2)nc1 ZINC001545828028 1067178355 /nfs/dbraw/zinc/17/83/55/1067178355.db2.gz INIGZPZZAXAEAS-UHFFFAOYSA-N 0 0 475.641 4.706 20 0 JJADRN Cc1nc([C@@H](C)Sc2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3o2)no1 ZINC001458865712 1067178327 /nfs/dbraw/zinc/17/83/27/1067178327.db2.gz GDUIWHYVPWFOFP-SNVBAGLBSA-N 0 0 450.929 4.827 20 0 JJADRN Cc1cccc(OCCNC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC001458864935 1067178386 /nfs/dbraw/zinc/17/83/86/1067178386.db2.gz RRAGTFYMOIVECQ-FQEVSTJZSA-N 0 0 458.587 4.919 20 0 JJADRN CC(C)COC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2o1 ZINC001458866131 1067179081 /nfs/dbraw/zinc/17/90/81/1067179081.db2.gz HTLGGVYWACBJOH-UHFFFAOYSA-N 0 0 454.957 4.573 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1coc(-c2cccs2)n1 ZINC001545828605 1067179188 /nfs/dbraw/zinc/17/91/88/1067179188.db2.gz ZVZDPZDWFQBXTM-UHFFFAOYSA-N 0 0 470.643 4.976 20 0 JJADRN CCN(CC)c1ccc(-c2nnc(SCCCN3CCOC3=O)n2-c2ccccc2)cc1 ZINC001458867006 1067179116 /nfs/dbraw/zinc/17/91/16/1067179116.db2.gz YNLHCKSKAVHMEV-UHFFFAOYSA-N 0 0 451.596 4.715 20 0 JJADRN Nn1c(COc2c(Cl)cccc2Cl)nnc1SC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001458869114 1067179556 /nfs/dbraw/zinc/17/95/56/1067179556.db2.gz VEQPDYDICSKNBS-WMLDXEAASA-N 0 0 451.379 4.890 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1CCc1c[nH]c2cccc(C)c12 ZINC001545829551 1067179931 /nfs/dbraw/zinc/17/99/31/1067179931.db2.gz ABHWHZKFYBXPQC-UHFFFAOYSA-N 0 0 450.631 4.998 20 0 JJADRN CN(C)c1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1C(F)(F)F ZINC001451586099 1067180492 /nfs/dbraw/zinc/18/04/92/1067180492.db2.gz MYPUGCAUYYVLRA-DEDYPNTBSA-N 0 0 454.452 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001545829919 1067180551 /nfs/dbraw/zinc/18/05/51/1067180551.db2.gz JNVOEOTUEKBJIP-FXAWDEMLSA-N 0 0 474.650 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1Cc1cscc1C ZINC001545829968 1067180850 /nfs/dbraw/zinc/18/08/50/1067180850.db2.gz KMWKNDHJKJZBGY-QHCPKHFHSA-N 0 0 480.682 4.720 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCc1cc(C)ccc1OC ZINC001545830307 1067181622 /nfs/dbraw/zinc/18/16/22/1067181622.db2.gz RAEBUQLSHSXODJ-AVRDEDQJSA-N 0 0 455.647 4.771 20 0 JJADRN C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N1CCN(c2ccccn2)CC1 ZINC001458874728 1067181695 /nfs/dbraw/zinc/18/16/95/1067181695.db2.gz IWKZFIJDPDSXPV-CYBMUJFWSA-N 0 0 452.527 4.540 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 ZINC001451643709 1067181818 /nfs/dbraw/zinc/18/18/18/1067181818.db2.gz SMFVRBLYFSZAJH-JOCHJYFZSA-N 0 0 454.567 4.769 20 0 JJADRN COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1Cl ZINC001451640804 1067181848 /nfs/dbraw/zinc/18/18/48/1067181848.db2.gz RUEAASLBPGBRJK-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN CCc1ccccc1-n1c(SCC(=O)NCCCc2ccccc2)nc2ccccc2c1=O ZINC001458873981 1067181799 /nfs/dbraw/zinc/18/17/99/1067181799.db2.gz XGWFTEUCJNQPEN-UHFFFAOYSA-N 0 0 457.599 4.789 20 0 JJADRN CCCCCn1nc(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c2ccccc2c1=O ZINC001451648946 1067182472 /nfs/dbraw/zinc/18/24/72/1067182472.db2.gz IHYZNRXANHFLOC-IBGZPJMESA-N 0 0 455.599 4.561 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)C1 ZINC001451650156 1067182505 /nfs/dbraw/zinc/18/25/05/1067182505.db2.gz WVHBZIRODYVTCY-QHCPKHFHSA-N 0 0 450.579 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001545832318 1067183056 /nfs/dbraw/zinc/18/30/56/1067183056.db2.gz MOYPJHFRFAOJHS-SZMVWBNQSA-N 0 0 462.063 4.910 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)C1 ZINC001451651735 1067183137 /nfs/dbraw/zinc/18/31/37/1067183137.db2.gz YWBRPQHUYJXRRX-MRXNPFEDSA-N 0 0 459.537 4.613 20 0 JJADRN CC(C)N1CCc2nc(NC(=O)C3(c4cc(Cl)cc(Br)c4)CC3)sc2C1 ZINC001458876700 1067183152 /nfs/dbraw/zinc/18/31/52/1067183152.db2.gz PJQSNSFGSIIKBK-UHFFFAOYSA-N 0 0 454.821 4.996 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1CC[C@@H]1CCCCO1 ZINC001545833704 1067183622 /nfs/dbraw/zinc/18/36/22/1067183622.db2.gz HOJAMCFBYOPRAG-KRWDZBQOSA-N 0 0 498.491 4.616 20 0 JJADRN C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1oc2ccccc2c1CSc1ncccn1)C1CC1 ZINC001451656365 1067183672 /nfs/dbraw/zinc/18/36/72/1067183672.db2.gz CVAVQNCEDCGCBF-HNNXBMFYSA-N 0 0 453.564 4.850 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001451657633 1067183878 /nfs/dbraw/zinc/18/38/78/1067183878.db2.gz VGXVHYJCNSKZQT-UHFFFAOYSA-N 0 0 452.551 4.676 20 0 JJADRN Nn1c(COc2ccc(F)cc2)nnc1SCCOc1ccc(Oc2ccccc2)cc1 ZINC001458878804 1067184348 /nfs/dbraw/zinc/18/43/48/1067184348.db2.gz UKHOUNSWTHTDNO-UHFFFAOYSA-N 0 0 452.511 4.673 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CC1(C)CCC1 ZINC001545834884 1067185505 /nfs/dbraw/zinc/18/55/05/1067185505.db2.gz DOWNWQYVEKHJDA-UHFFFAOYSA-N 0 0 468.465 4.847 20 0 JJADRN COc1ccc(-n2nnnc2SCc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1 ZINC001458881849 1067185444 /nfs/dbraw/zinc/18/54/44/1067185444.db2.gz WVOJTJSDQAXTMP-UHFFFAOYSA-N 0 0 451.405 4.776 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001545835092 1067185942 /nfs/dbraw/zinc/18/59/42/1067185942.db2.gz LERMRRNUPZZYPA-MHECFPHRSA-N 0 0 480.028 4.973 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N(C)CC3CCCCC3)nc3ccccc3c2=O)cc1 ZINC001458884229 1067186026 /nfs/dbraw/zinc/18/60/26/1067186026.db2.gz RJULILAJTPKRRQ-UHFFFAOYSA-N 0 0 451.592 4.525 20 0 JJADRN Cc1cc(SCC(=O)N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001451693333 1067186359 /nfs/dbraw/zinc/18/63/59/1067186359.db2.gz DXANWCRAKPEZAR-BBRMVZONSA-N 0 0 456.446 4.984 20 0 JJADRN Cn1c(=O)c2c(-c3cccs3)csc2nc1SCCC(=O)NCc1ccc(F)cc1 ZINC001458886289 1067186570 /nfs/dbraw/zinc/18/65/70/1067186570.db2.gz KNRHTMFOLHAAGJ-UHFFFAOYSA-N 0 0 459.593 4.661 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)Cc1cc(Br)ccc1Cl)CC2 ZINC001451699039 1067186748 /nfs/dbraw/zinc/18/67/48/1067186748.db2.gz ILPAOEYMIMSUOV-UHFFFAOYSA-N 0 0 457.796 4.647 20 0 JJADRN COC1(C(F)(F)F)CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC1 ZINC001451697276 1067186773 /nfs/dbraw/zinc/18/67/73/1067186773.db2.gz HVGIYIMDGSVKMG-UHFFFAOYSA-N 0 0 458.527 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)Cc1ccc(Cl)cc1Br)CC2 ZINC001451696499 1067186876 /nfs/dbraw/zinc/18/68/76/1067186876.db2.gz BXPPVCBWQBIPPL-UHFFFAOYSA-N 0 0 457.796 4.647 20 0 JJADRN O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCc2cc(Br)ccc2C1 ZINC001458887229 1067187140 /nfs/dbraw/zinc/18/71/40/1067187140.db2.gz OUXSUBNZAFPVSA-MRXNPFEDSA-N 0 0 451.158 4.663 20 0 JJADRN Cc1ccc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1Br ZINC001458887816 1067187258 /nfs/dbraw/zinc/18/72/58/1067187258.db2.gz GTMMAPUYZJJZTR-KRWDZBQOSA-N 0 0 451.434 4.811 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccc2OC)n1Cc1ccsc1 ZINC001545835455 1067187662 /nfs/dbraw/zinc/18/76/62/1067187662.db2.gz YPVBUFIGPWPYDO-UHFFFAOYSA-N 0 0 462.019 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H](C)c1ccccc1 ZINC001545835490 1067187766 /nfs/dbraw/zinc/18/77/66/1067187766.db2.gz ZYMNEVHTBBCUGC-INIZCTEOSA-N 0 0 488.430 4.992 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@H]1CCCSC1 ZINC001545836157 1067188434 /nfs/dbraw/zinc/18/84/34/1067188434.db2.gz DBBPTBPIAFGCQP-QGZVFWFLSA-N 0 0 450.052 4.630 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001545836148 1067188557 /nfs/dbraw/zinc/18/85/57/1067188557.db2.gz CZBABWRDJDCXGB-WOJBJXKFSA-N 0 0 478.641 4.586 20 0 JJADRN Cc1occc1-c1nnc(SCCCS(=O)(=O)c2ccccc2)n1Cc1ccccc1 ZINC001458897102 1067188892 /nfs/dbraw/zinc/18/88/92/1067188892.db2.gz YSVVIYVGNSRSKN-UHFFFAOYSA-N 0 0 453.589 4.851 20 0 JJADRN CCN(C(=O)CSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1)C1CCCCC1 ZINC001458896731 1067188915 /nfs/dbraw/zinc/18/89/15/1067188915.db2.gz YNLYCRBFYXWMHW-OALUTQOASA-N 0 0 459.660 4.675 20 0 JJADRN Cc1ccc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)c(Br)c1 ZINC001458896258 1067189008 /nfs/dbraw/zinc/18/90/08/1067189008.db2.gz KJWCTWYUMHAURS-UHFFFAOYSA-N 0 0 459.413 4.776 20 0 JJADRN Cc1cccc(-n2nnnc2SCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1C ZINC001458896011 1067189017 /nfs/dbraw/zinc/18/90/17/1067189017.db2.gz KEXDDOOOXNXTKM-UHFFFAOYSA-N 0 0 451.640 4.644 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001451730442 1067188920 /nfs/dbraw/zinc/18/89/20/1067188920.db2.gz GNCNDRASWMNRNC-ZFWWWQNUSA-N 0 0 455.805 4.736 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001451734686 1067189563 /nfs/dbraw/zinc/18/95/63/1067189563.db2.gz VBASPKIMHUYCNK-HNNXBMFYSA-N 0 0 453.370 4.596 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 ZINC001545836387 1067189677 /nfs/dbraw/zinc/18/96/77/1067189677.db2.gz LGWFRCQFQQDYQK-HNNXBMFYSA-N 0 0 458.607 4.541 20 0 JJADRN CCCc1c(C(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)[nH]c(C)c1C(C)=O ZINC001458897510 1067189777 /nfs/dbraw/zinc/18/97/77/1067189777.db2.gz XPKAQHGXOVMNGZ-UHFFFAOYSA-N 0 0 450.539 4.557 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1Cc1csc(C)c1 ZINC001545836366 1067189728 /nfs/dbraw/zinc/18/97/28/1067189728.db2.gz KTYNYKWROVEIQC-UHFFFAOYSA-N 0 0 480.682 4.851 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001545836735 1067190064 /nfs/dbraw/zinc/19/00/64/1067190064.db2.gz XKPBOEWGOLGNLW-CTNGQTDRSA-N 0 0 470.637 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1C(F)(F)C12CCC2 ZINC001545836776 1067190892 /nfs/dbraw/zinc/19/08/92/1067190892.db2.gz ZGFOBMDCZRSQIX-GOSISDBHSA-N 0 0 465.976 4.922 20 0 JJADRN CC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2OCc2ccccc2)nc1C ZINC001545836954 1067190942 /nfs/dbraw/zinc/19/09/42/1067190942.db2.gz GYONIKZHRQUBFE-UHFFFAOYSA-N 0 0 453.336 4.864 20 0 JJADRN Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC001458903276 1067190922 /nfs/dbraw/zinc/19/09/22/1067190922.db2.gz SVEJSGNOAGJKHL-UHFFFAOYSA-N 0 0 455.971 4.604 20 0 JJADRN CC(=O)Nc1cccc(Nc2nnc(SCCc3cccc4c3OC(F)(F)O4)s2)c1 ZINC001458902178 1067190948 /nfs/dbraw/zinc/19/09/48/1067190948.db2.gz WWUZISXKFZCPCF-UHFFFAOYSA-N 0 0 450.492 4.896 20 0 JJADRN C[C@@H]1[C@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001451742103 1067190929 /nfs/dbraw/zinc/19/09/29/1067190929.db2.gz UVPIOOXJJGXEGL-HMXCVIKNSA-N 0 0 475.630 4.937 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001451743713 1067191436 /nfs/dbraw/zinc/19/14/36/1067191436.db2.gz XGVHIVFRHRLMCP-SZVBFZGTSA-N 0 0 453.421 4.922 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cccc(C(F)F)c1F)c1c(C)nn(Cc2ccccc2)c1C ZINC001458904578 1067191352 /nfs/dbraw/zinc/19/13/52/1067191352.db2.gz MPKXZTIIINWYEG-OAQYLSRUSA-N 0 0 459.468 4.659 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(Br)c2cccnc12 ZINC001458904237 1067191402 /nfs/dbraw/zinc/19/14/02/1067191402.db2.gz VJPSEUKVYYZZNO-UHFFFAOYSA-N 0 0 452.308 4.939 20 0 JJADRN Cc1ccc(C2(C(=O)NCC(C)(C)C3(O)CCOCC3)CCCCC2)c(Br)c1 ZINC001451792659 1067191481 /nfs/dbraw/zinc/19/14/81/1067191481.db2.gz KKDZASXEIBKNPK-UHFFFAOYSA-N 0 0 452.433 4.643 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1Cc1cscc1C ZINC001545838879 1067192135 /nfs/dbraw/zinc/19/21/35/1067192135.db2.gz HMFZJSGJIYHEBD-UHFFFAOYSA-N 0 0 468.652 4.861 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@H]1CC[C@H](C)C1 ZINC001545839031 1067192632 /nfs/dbraw/zinc/19/26/32/1067192632.db2.gz MQEGCZXFGIISJG-UONOGXRCSA-N 0 0 472.581 4.744 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(Cl)ccc1Br ZINC001458908087 1067193055 /nfs/dbraw/zinc/19/30/55/1067193055.db2.gz LBURSKPNMKDIPT-NRFANRHFSA-N 0 0 450.760 4.883 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001451807656 1067193201 /nfs/dbraw/zinc/19/32/01/1067193201.db2.gz ZHRRIJQQUMQCSX-OWIYKUFQSA-N 0 0 450.620 4.523 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@H](CC(F)(F)F)C3)cc2)cc1 ZINC001451812741 1067193239 /nfs/dbraw/zinc/19/32/39/1067193239.db2.gz VCOYZGOXEDUZJD-QGZVFWFLSA-N 0 0 454.514 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N3CCSC[C@H]3C3CCC3)cs2)CC1 ZINC001451816722 1067193293 /nfs/dbraw/zinc/19/32/93/1067193293.db2.gz GRRDOCMONAADGJ-SFHVURJKSA-N 0 0 451.658 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CN(CC)c3ccccc3O2)n1C[C@H]1CCCC1(C)C ZINC001545840424 1067193328 /nfs/dbraw/zinc/19/33/28/1067193328.db2.gz CICSQYSPCLNMNE-IRLDBZIGSA-N 0 0 496.700 4.747 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cc(C)nn2C)C1 ZINC001546104660 1067193652 /nfs/dbraw/zinc/19/36/52/1067193652.db2.gz DYZOMJYKWBQPPS-UHFFFAOYSA-N 0 0 487.446 4.823 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@@H](C2CCCC2)C1)Cc1cc(F)c(F)cc1F ZINC001451824273 1067193946 /nfs/dbraw/zinc/19/39/46/1067193946.db2.gz SDFFETFRNKVFOT-SJLPKXTDSA-N 0 0 454.533 4.969 20 0 JJADRN Cc1noc(C[C@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)c2ccccc2)n1 ZINC001458910665 1067194128 /nfs/dbraw/zinc/19/41/28/1067194128.db2.gz IAUIYWBCHPLMAF-INIZCTEOSA-N 0 0 454.246 4.873 20 0 JJADRN CCCN(C(=O)CCc1cc(C(F)(F)F)ccc1Br)[C@H](CC)C(=O)OCC ZINC001458912252 1067194152 /nfs/dbraw/zinc/19/41/52/1067194152.db2.gz JZORPVQCXKREQU-MRXNPFEDSA-N 0 0 452.311 4.981 20 0 JJADRN C[C@H]1CN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)c2ccccc21 ZINC001451859501 1067194558 /nfs/dbraw/zinc/19/45/58/1067194558.db2.gz JYUSDMLCZDQLES-INIZCTEOSA-N 0 0 456.384 4.711 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001451859201 1067194615 /nfs/dbraw/zinc/19/46/15/1067194615.db2.gz QSYRQWYQDWMTTO-DOTCQKFPSA-N 0 0 479.662 4.564 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)C[C@H](C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001458912608 1067194778 /nfs/dbraw/zinc/19/47/78/1067194778.db2.gz INHDPDSWVWNVLB-IBGZPJMESA-N 0 0 455.551 4.582 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@@H]1SCCc2ccccc21 ZINC001545842043 1067195133 /nfs/dbraw/zinc/19/51/33/1067195133.db2.gz JKUNDOGWVBZYSS-QFIPXVFZSA-N 0 0 483.707 4.968 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ncsc2Nc2ccccc2C)C[C@H]1c1ccc(F)cc1F ZINC001451872818 1067195273 /nfs/dbraw/zinc/19/52/73/1067195273.db2.gz GCYPMXCSXHCBGX-DLBZAZTESA-N 0 0 457.502 4.502 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCc2c1cccc2Br ZINC001451861276 1067195363 /nfs/dbraw/zinc/19/53/63/1067195363.db2.gz NCKAXGQVOXFIGV-CYBMUJFWSA-N 0 0 454.151 4.698 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001545843541 1067195586 /nfs/dbraw/zinc/19/55/86/1067195586.db2.gz ZHXPMVACBAVKCK-OAQYLSRUSA-N 0 0 455.352 4.796 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC001451875600 1067195905 /nfs/dbraw/zinc/19/59/05/1067195905.db2.gz NNLYKQVXPUSHHT-RBUKOAKNSA-N 0 0 455.352 4.576 20 0 JJADRN CC(C)Cn1c(SCC(=O)NC2=NC[C@@H](C)S2)nnc1-c1ccc(Cl)cc1Cl ZINC001451878615 1067195953 /nfs/dbraw/zinc/19/59/53/1067195953.db2.gz KUFIVPLCQPGXGD-LLVKDONJSA-N 0 0 458.440 4.608 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3c(ccc(C)c3Br)[nH]2)C[C@H]1c1ccc(F)cc1F ZINC001451877010 1067195983 /nfs/dbraw/zinc/19/59/83/1067195983.db2.gz QVDAOBQHTYLIDE-JKSUJKDBSA-N 0 0 477.305 4.546 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC(C)(C)c1ccccn1 ZINC001545844218 1067196246 /nfs/dbraw/zinc/19/62/46/1067196246.db2.gz XIDGBGRRRJSNFM-IBGZPJMESA-N 0 0 454.663 4.974 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001458918780 1067196610 /nfs/dbraw/zinc/19/66/10/1067196610.db2.gz USQLPPAZFDWQFE-UHFFFAOYSA-N 0 0 456.391 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(Cl)s2)n1Cc1occc1C ZINC001545845270 1067196751 /nfs/dbraw/zinc/19/67/51/1067196751.db2.gz BMPAUXYXWWTJIT-UHFFFAOYSA-N 0 0 450.008 4.888 20 0 JJADRN CCc1cc(Cl)c(Cl)cc1OC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC001458919877 1067197197 /nfs/dbraw/zinc/19/71/97/1067197197.db2.gz YHWRXFYZMQWYLG-ZDUSSCGKSA-N 0 0 459.395 4.534 20 0 JJADRN CCSc1ccc(CC(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(Br)c1 ZINC001451905803 1067197229 /nfs/dbraw/zinc/19/72/29/1067197229.db2.gz RPUQYOVXMSMGMJ-CRAIPNDOSA-N 0 0 469.445 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1Cc1cnc(C)s1 ZINC001545845734 1067197928 /nfs/dbraw/zinc/19/79/28/1067197928.db2.gz PUZXZVLRPJRYAN-UHFFFAOYSA-N 0 0 458.607 4.564 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC001451912538 1067198037 /nfs/dbraw/zinc/19/80/37/1067198037.db2.gz GXIXUPGIINMNFM-HXUWFJFHSA-N 0 0 451.567 4.628 20 0 JJADRN CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC001458923289 1067198375 /nfs/dbraw/zinc/19/83/75/1067198375.db2.gz BMCSDMGTCOAFHW-QHCPKHFHSA-N 0 0 458.583 4.953 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1C[C@H]1CCCCS1 ZINC001545845924 1067198616 /nfs/dbraw/zinc/19/86/16/1067198616.db2.gz WEYQJVVHIVBZKC-GOSISDBHSA-N 0 0 477.625 4.929 20 0 JJADRN COC(=O)[C@@H](CC(F)F)NC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC001545846643 1067198633 /nfs/dbraw/zinc/19/86/33/1067198633.db2.gz WTOLBNZNGQBTFD-OAHLLOKOSA-N 0 0 458.324 4.668 20 0 JJADRN C[C@@H](SCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001458925357 1067198916 /nfs/dbraw/zinc/19/89/16/1067198916.db2.gz XXVPEVJIXSRRLU-LLVKDONJSA-N 0 0 451.463 4.561 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001546104782 1067198927 /nfs/dbraw/zinc/19/89/27/1067198927.db2.gz IZRDZRMUINEKOJ-MHECFPHRSA-N 0 0 461.676 4.904 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1ccc(C)c(OC)c1 ZINC001545848403 1067199339 /nfs/dbraw/zinc/19/93/39/1067199339.db2.gz AJKLUJPUGPSXDB-BWAGFHJFSA-N 0 0 453.631 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(OC2CCCC2)cc1 ZINC001545846800 1067199392 /nfs/dbraw/zinc/19/93/92/1067199392.db2.gz BLAGUCWCPXMWLP-IBGZPJMESA-N 0 0 483.657 4.570 20 0 JJADRN Cc1ccc2nc(SCC(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)n(C)c(=O)c2c1 ZINC001458925627 1067199369 /nfs/dbraw/zinc/19/93/69/1067199369.db2.gz YVMXLOMDMCCYSC-UHFFFAOYSA-N 0 0 451.636 4.607 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)ccc1NC(=O)c1cccs1 ZINC001451939768 1067200144 /nfs/dbraw/zinc/20/01/44/1067200144.db2.gz CXZRLFBPHBZBPC-RTBURBONSA-N 0 0 457.596 4.730 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC001458927790 1067200146 /nfs/dbraw/zinc/20/01/46/1067200146.db2.gz GCJCOKCAHXPYQQ-UHFFFAOYSA-N 0 0 455.824 4.926 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[C@@H]1CCOc2ccccc21 ZINC001545848712 1067201165 /nfs/dbraw/zinc/20/11/65/1067201165.db2.gz FEUAKCZVCNNFEA-VAMGGRTRSA-N 0 0 453.631 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545848883 1067201551 /nfs/dbraw/zinc/20/15/51/1067201551.db2.gz HPIYPRVFGVEDSB-HOTGVXAUSA-N 0 0 481.563 4.755 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c3c(ccc2OC)CCC3)c1 ZINC001458934419 1067201801 /nfs/dbraw/zinc/20/18/01/1067201801.db2.gz YYMWWAHHNXNYLR-UHFFFAOYSA-N 0 0 450.560 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001545849081 1067202125 /nfs/dbraw/zinc/20/21/25/1067202125.db2.gz JYLMZBNMQBFMLD-HZPDHXFCSA-N 0 0 450.002 4.714 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545849060 1067202213 /nfs/dbraw/zinc/20/22/13/1067202213.db2.gz JPRHUCRQTUZPIZ-CVEARBPZSA-N 0 0 481.563 4.897 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC1(c2ccccc2OC)CC1 ZINC001545849446 1067203174 /nfs/dbraw/zinc/20/31/74/1067203174.db2.gz ORJQAWGVLYSFQU-OALUTQOASA-N 0 0 453.631 4.562 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001452014347 1067203759 /nfs/dbraw/zinc/20/37/59/1067203759.db2.gz KLFNAZSGYVRECK-OPYAIIAOSA-N 0 0 455.599 4.533 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001545849514 1067203727 /nfs/dbraw/zinc/20/37/27/1067203727.db2.gz PRIGCMRRYXJZNU-OPYAIIAOSA-N 0 0 479.629 4.675 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001545849511 1067203798 /nfs/dbraw/zinc/20/37/98/1067203798.db2.gz PRIGCMRRYXJZNU-DBXWQHBBSA-N 0 0 479.629 4.675 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001545849823 1067204244 /nfs/dbraw/zinc/20/42/44/1067204244.db2.gz VKAWKDZLFXSPHF-IYBDPMFKSA-N 0 0 451.537 4.746 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC001452030506 1067204265 /nfs/dbraw/zinc/20/42/65/1067204265.db2.gz MRRBCPOJLOVARA-GOSISDBHSA-N 0 0 456.562 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC1(c2ccc(OC)cc2)CCC1 ZINC001545849976 1067204723 /nfs/dbraw/zinc/20/47/23/1067204723.db2.gz XKQLDVGHEZPFFE-BGYRXZFFSA-N 0 0 467.658 4.809 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1C ZINC001458946595 1067204759 /nfs/dbraw/zinc/20/47/59/1067204759.db2.gz NLYFYNSRRALSQS-UHFFFAOYSA-N 0 0 456.884 4.621 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1cccc(NC(=O)C2CCC2)c1 ZINC001545849991 1067204911 /nfs/dbraw/zinc/20/49/11/1067204911.db2.gz XPRLVZXRHXQTFP-MOPGFXCFSA-N 0 0 480.657 4.608 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001458947372 1067205297 /nfs/dbraw/zinc/20/52/97/1067205297.db2.gz PFCJCYOQAOOKKV-HFZDXXHNSA-N 0 0 454.615 4.870 20 0 JJADRN Cc1nc(-c2cc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)n[nH]1 ZINC001452060173 1067205486 /nfs/dbraw/zinc/20/54/86/1067205486.db2.gz CJJAYKLIZAMOIC-IKGGRYGDSA-N 0 0 465.476 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)OCc3ccc(OCC4CC4)cc3)o2)CC1 ZINC001458950509 1067205861 /nfs/dbraw/zinc/20/58/61/1067205861.db2.gz ATGHJWNBLFFPHH-UHFFFAOYSA-N 0 0 456.539 4.935 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)OCc1ccc(I)c(Cl)c1 ZINC001458950936 1067206280 /nfs/dbraw/zinc/20/62/80/1067206280.db2.gz SJXJQJDERZWXKZ-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001452089486 1067206490 /nfs/dbraw/zinc/20/64/90/1067206490.db2.gz ZPDSAGZPPDXEFZ-VWLOTQADSA-N 0 0 452.551 4.864 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001546035657 1067206626 /nfs/dbraw/zinc/20/66/26/1067206626.db2.gz WMFBSWNYNBNBNK-FQEVSTJZSA-N 0 0 495.734 4.522 20 0 JJADRN CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001452094400 1067206971 /nfs/dbraw/zinc/20/69/71/1067206971.db2.gz HYAXAGGCVACXEY-DNVCBOLYSA-N 0 0 450.373 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@]3(C)Cc3cccc(F)c3)n[nH]2)C1 ZINC001452094292 1067207086 /nfs/dbraw/zinc/20/70/86/1067207086.db2.gz UYEVAGWMAOYVEM-BVZFJXPGSA-N 0 0 456.562 4.511 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001546035718 1067207139 /nfs/dbraw/zinc/20/71/39/1067207139.db2.gz XVLZRAZYVPLBKS-PMACEKPBSA-N 0 0 487.645 4.531 20 0 JJADRN CCCCc1nc(NC(=O)c2cc(Br)c(Cl)cc2OC)c(C(=O)OCC)[nH]1 ZINC001458954283 1067207427 /nfs/dbraw/zinc/20/74/27/1067207427.db2.gz LAMHSINSPPGMNF-UHFFFAOYSA-N 0 0 458.740 4.606 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC001452105626 1067207531 /nfs/dbraw/zinc/20/75/31/1067207531.db2.gz PQTNWASGCWORSC-UHFFFAOYSA-N 0 0 457.880 4.637 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001452107416 1067207657 /nfs/dbraw/zinc/20/76/57/1067207657.db2.gz ZAAHKEBTEIRMDH-SFHVURJKSA-N 0 0 458.559 4.596 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1(c2cccc(F)c2)CCC1 ZINC001452111668 1067207689 /nfs/dbraw/zinc/20/76/89/1067207689.db2.gz UUJQWUJOYMEUQT-UHFFFAOYSA-N 0 0 456.514 4.883 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC001458954784 1067207828 /nfs/dbraw/zinc/20/78/28/1067207828.db2.gz RZLNXPWHGJSTIH-UHFFFAOYSA-N 0 0 452.016 4.825 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C(=O)OC)oc1C)C1CC1 ZINC001458954717 1067207936 /nfs/dbraw/zinc/20/79/36/1067207936.db2.gz CAGSLHRMPKMYLB-SFHVURJKSA-N 0 0 454.306 4.590 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001452135321 1067208381 /nfs/dbraw/zinc/20/83/81/1067208381.db2.gz NVQDGNDJKUYTLO-HUUCEWRRSA-N 0 0 467.404 4.599 20 0 JJADRN O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)N1CCN(CCCF)CC1 ZINC001452138666 1067208832 /nfs/dbraw/zinc/20/88/32/1067208832.db2.gz BWTLUWNQUMTRQI-UHFFFAOYSA-N 0 0 453.389 4.565 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001452138391 1067208885 /nfs/dbraw/zinc/20/88/85/1067208885.db2.gz RKXADYHMIKIWOB-MKXGPGLRSA-N 0 0 455.640 4.561 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001452138392 1067208907 /nfs/dbraw/zinc/20/89/07/1067208907.db2.gz RKXADYHMIKIWOB-XWSJACJDSA-N 0 0 455.640 4.561 20 0 JJADRN Cc1cc(NC(=O)CSc2nnc(CCCc3ccccc3)o2)n(-c2ccccc2F)n1 ZINC001458958292 1067208939 /nfs/dbraw/zinc/20/89/39/1067208939.db2.gz CIYDADUHDHFAEP-UHFFFAOYSA-N 0 0 451.527 4.609 20 0 JJADRN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC001458958778 1067209083 /nfs/dbraw/zinc/20/90/83/1067209083.db2.gz RRCCTGCCTKZASZ-DEOSSOPVSA-N 0 0 451.885 4.552 20 0 JJADRN O=C(COc1ccccc1NC(=O)COc1ccccc1)Cc1ccccc1Br ZINC001458960938 1067209577 /nfs/dbraw/zinc/20/95/77/1067209577.db2.gz GBBXWCKCRKDTJW-UHFFFAOYSA-N 0 0 454.320 4.657 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC001458959880 1067209623 /nfs/dbraw/zinc/20/96/23/1067209623.db2.gz PPZLYKQVYNEDFI-MPBGBICISA-N 0 0 459.320 4.765 20 0 JJADRN C[C@H](NC(=O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1)c1ccc(Br)cc1 ZINC001458961480 1067209920 /nfs/dbraw/zinc/20/99/20/1067209920.db2.gz MGXQIOMXGYCZPM-ZDUSSCGKSA-N 0 0 457.397 4.692 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)cs1 ZINC001458962348 1067210030 /nfs/dbraw/zinc/21/00/30/1067210030.db2.gz VDHLZPATMRAJSY-UHFFFAOYSA-N 0 0 457.531 4.988 20 0 JJADRN CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc(C)cc1I ZINC001458962830 1067210530 /nfs/dbraw/zinc/21/05/30/1067210530.db2.gz XMABGARQVZOVCM-QGZVFWFLSA-N 0 0 453.320 4.645 20 0 JJADRN COc1ccc(C[C@@]2(C)NC(=O)N(Cc3ccc(Oc4ccccc4F)c(F)c3)C2=O)cc1 ZINC001458962831 1067210556 /nfs/dbraw/zinc/21/05/56/1067210556.db2.gz XQPJSOMKVLTWDV-RUZDIDTESA-N 0 0 452.457 4.819 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001546105137 1067210624 /nfs/dbraw/zinc/21/06/24/1067210624.db2.gz WDNLWQBETQQOJI-SANMLTNESA-N 0 0 471.646 4.566 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cnc2n1[C@H](C)CCC2)C1CC1 ZINC001458963790 1067210973 /nfs/dbraw/zinc/21/09/73/1067210973.db2.gz PKRSJIAAGMBVCE-XCLFUZPHSA-N 0 0 450.366 4.996 20 0 JJADRN C[C@H](C(=O)NCC[C@H]1CSc2ccccc2O1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001452158345 1067211007 /nfs/dbraw/zinc/21/10/07/1067211007.db2.gz GHQJMPQPEZCNJJ-JLMWRMLUSA-N 0 0 456.608 4.948 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(C(=O)NCc3ccccc3)cc1)O2 ZINC001452160091 1067211114 /nfs/dbraw/zinc/21/11/14/1067211114.db2.gz CTQOWPWPSQVTQC-MUUNZHRXSA-N 0 0 458.558 4.970 20 0 JJADRN CCOC(=O)c1c(NC(=O)CSCC(=O)OC(C)C)sc(Cl)c1-c1ccccc1 ZINC001458964278 1067211608 /nfs/dbraw/zinc/21/16/08/1067211608.db2.gz NARFFKVLVWDDQG-UHFFFAOYSA-N 0 0 455.985 4.869 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCNc1ccc2ccccc2n1 ZINC001452165115 1067211670 /nfs/dbraw/zinc/21/16/70/1067211670.db2.gz XZNHTGIDOLJAGE-UHFFFAOYSA-N 0 0 454.361 4.937 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452172713 1067211685 /nfs/dbraw/zinc/21/16/85/1067211685.db2.gz AQSFJTNZVDROKQ-HNNXBMFYSA-N 0 0 453.791 4.579 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3cccc(Cl)c3n2C)C1 ZINC001546105205 1067211947 /nfs/dbraw/zinc/21/19/47/1067211947.db2.gz YXVZYAYMXJKMEJ-KRWDZBQOSA-N 0 0 475.037 4.607 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(O)cc2)C1 ZINC001546105183 1067212026 /nfs/dbraw/zinc/21/20/26/1067212026.db2.gz XVLHHKIINXIVFX-UHFFFAOYSA-N 0 0 458.404 4.817 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001546036777 1067213566 /nfs/dbraw/zinc/21/35/66/1067213566.db2.gz ISLSAYDWLZPQSE-UHFFFAOYSA-N 0 0 465.495 4.609 20 0 JJADRN CC(C)c1cnc(SCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1C ZINC001458972131 1067213757 /nfs/dbraw/zinc/21/37/57/1067213757.db2.gz YGAMDTGBNUKOSX-UHFFFAOYSA-N 0 0 459.619 4.864 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)c1 ZINC001458972798 1067213805 /nfs/dbraw/zinc/21/38/05/1067213805.db2.gz IJCVQVQAYLIWLT-HXUWFJFHSA-N 0 0 454.452 4.714 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001546036880 1067214689 /nfs/dbraw/zinc/21/46/89/1067214689.db2.gz LZQGTQROJRDXPH-MRXNPFEDSA-N 0 0 494.587 4.674 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC001452226529 1067214753 /nfs/dbraw/zinc/21/47/53/1067214753.db2.gz IDOABNXHKHSWGS-MSOLQXFVSA-N 0 0 456.587 4.601 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c12 ZINC001452227319 1067214843 /nfs/dbraw/zinc/21/48/43/1067214843.db2.gz IRJATQGSINBFRS-CVEARBPZSA-N 0 0 452.555 4.928 20 0 JJADRN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001452246680 1067215773 /nfs/dbraw/zinc/21/57/73/1067215773.db2.gz ACCNQJXCNDZGNI-QFIPXVFZSA-N 0 0 454.368 4.643 20 0 JJADRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001458978127 1067215795 /nfs/dbraw/zinc/21/57/95/1067215795.db2.gz ZZQYCPRUNOWIDK-GOSISDBHSA-N 0 0 454.452 4.653 20 0 JJADRN O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001452257916 1067216140 /nfs/dbraw/zinc/21/61/40/1067216140.db2.gz QAHOKYLBTDLYGD-QHCPKHFHSA-N 0 0 451.519 4.742 20 0 JJADRN COCCN1[C@H](C)CN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C[C@@H]1C ZINC001452255924 1067216424 /nfs/dbraw/zinc/21/64/24/1067216424.db2.gz CLNNPPBYOQFZNU-HDICACEKSA-N 0 0 456.970 4.846 20 0 JJADRN Cc1[nH]c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)OCc3ccccc3)cc2c1C ZINC001452264900 1067216791 /nfs/dbraw/zinc/21/67/91/1067216791.db2.gz GVKXTZPOQJLXIU-AREMUKBSSA-N 0 0 456.542 4.843 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)n2)c1 ZINC001452265112 1067216849 /nfs/dbraw/zinc/21/68/49/1067216849.db2.gz DDKSQORMHCJMLG-LEWJYISDSA-N 0 0 479.602 4.721 20 0 JJADRN Cc1cc(C(=O)Oc2cc(F)cc(I)c2)ccc1NC(=O)CC(C)C ZINC001458981549 1067217123 /nfs/dbraw/zinc/21/71/23/1067217123.db2.gz LDOAKNFIVRRXSZ-UHFFFAOYSA-N 0 0 455.267 4.943 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)c2)n1 ZINC001452275392 1067217929 /nfs/dbraw/zinc/21/79/29/1067217929.db2.gz VDVBOZDRELRVSS-LOSJGSFVSA-N 0 0 459.590 4.746 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001452275426 1067217934 /nfs/dbraw/zinc/21/79/34/1067217934.db2.gz VODLPXNNFVAJJO-QKLQHJQFSA-N 0 0 450.362 4.611 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001458984062 1067218654 /nfs/dbraw/zinc/21/86/54/1067218654.db2.gz SODDSRYPHWGHNB-UHFFFAOYSA-N 0 0 450.207 4.577 20 0 JJADRN COc1ccc(F)cc1C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458983573 1067218715 /nfs/dbraw/zinc/21/87/15/1067218715.db2.gz XPEIEODGMZBHSV-UHFFFAOYSA-N 0 0 454.157 4.815 20 0 JJADRN Cc1c(N)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)ccc1Br ZINC001452287724 1067218768 /nfs/dbraw/zinc/21/87/68/1067218768.db2.gz ZKRIGSKXMUTSSS-ZWKOTPCHSA-N 0 0 459.384 4.537 20 0 JJADRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285315 1067218809 /nfs/dbraw/zinc/21/88/09/1067218809.db2.gz AEDJPVGIAVBFMI-NRFANRHFSA-N 0 0 452.570 4.760 20 0 JJADRN Cc1nc2[nH]c(S[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)nc2cc1Br ZINC001458984207 1067219119 /nfs/dbraw/zinc/21/91/19/1067219119.db2.gz YPXHNWXSIHMVFY-AWEZNQCLSA-N 0 0 455.740 4.719 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001546104890 1067219220 /nfs/dbraw/zinc/21/92/20/1067219220.db2.gz MNOUQRQEYBMCNE-HXUWFJFHSA-N 0 0 482.019 4.971 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1)c1ccc(Br)cc1 ZINC001452317018 1067219330 /nfs/dbraw/zinc/21/93/30/1067219330.db2.gz MAKVAUZABRSHJV-IBGZPJMESA-N 0 0 455.356 4.662 20 0 JJADRN CCCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC001452309247 1067219368 /nfs/dbraw/zinc/21/93/68/1067219368.db2.gz UXNIXDAGYKWFHY-UHFFFAOYSA-N 0 0 458.967 4.807 20 0 JJADRN Cc1ccc([C@H](O)[C@@H](C)NC(=O)CCCCc2ccc(I)cc2)cc1 ZINC001452306591 1067219443 /nfs/dbraw/zinc/21/94/43/1067219443.db2.gz FJVPGMYCQMINDX-IIBYNOLFSA-N 0 0 451.348 4.551 20 0 JJADRN CCOC(=O)c1cn(Cc2ccc([Si](C)(C)C)cc2)c2cc(Br)ccc2c1=O ZINC001458985789 1067219635 /nfs/dbraw/zinc/21/96/35/1067219635.db2.gz ZQUAEGKFUCOIPM-UHFFFAOYSA-N 0 0 458.428 4.534 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)Nc1nn(CC(F)(F)F)cc1Cl)N2C(=O)OC(C)(C)C ZINC001452334459 1067219903 /nfs/dbraw/zinc/21/99/03/1067219903.db2.gz XVVPPJZTWORKNQ-HNNXBMFYSA-N 0 0 458.868 4.712 20 0 JJADRN CC(=O)N(c1nc(CSc2nnc(-c3ccccn3)n2C)cs1)c1ccc(C)cc1C ZINC001458986228 1067220189 /nfs/dbraw/zinc/22/01/89/1067220189.db2.gz RSFLHKDEYXGPSP-UHFFFAOYSA-N 0 0 450.593 4.927 20 0 JJADRN CCOP(=O)(CN(C)C(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C)OCC ZINC001452340264 1067220372 /nfs/dbraw/zinc/22/03/72/1067220372.db2.gz WRTIWKLWZPAQGQ-UHFFFAOYSA-N 0 0 458.293 4.547 20 0 JJADRN CC(C)(C)OC(=O)CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)C1CCOCC1 ZINC001452348497 1067220715 /nfs/dbraw/zinc/22/07/15/1067220715.db2.gz LFOBTGSHZMPDRG-UHFFFAOYSA-N 0 0 456.564 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3N3CCCC3)cs2)CC1 ZINC001452390043 1067221349 /nfs/dbraw/zinc/22/13/49/1067221349.db2.gz ROBGLHSBTIXQLD-UHFFFAOYSA-N 0 0 457.600 4.505 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(S[C@H](C)c4ccccc4Br)n3N)n[nH]2)cc1 ZINC001458989469 1067221665 /nfs/dbraw/zinc/22/16/65/1067221665.db2.gz PYIGRQZRVCCXRH-CYBMUJFWSA-N 0 0 455.385 4.973 20 0 JJADRN O=C(Nc1ccnc(OCc2ccccc2)c1)c1cc(Br)cnc1OCC1CC1 ZINC001452403690 1067221913 /nfs/dbraw/zinc/22/19/13/1067221913.db2.gz YRBUEGIOHQNOHJ-UHFFFAOYSA-N 0 0 454.324 4.859 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](Cc2ccccc2)c2ncco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001452413983 1067222428 /nfs/dbraw/zinc/22/24/28/1067222428.db2.gz AAIVOAWIOAHJAF-LDQXTDLNSA-N 0 0 458.345 4.601 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 ZINC001452429917 1067223246 /nfs/dbraw/zinc/22/32/46/1067223246.db2.gz DYUPVSZGQFZWNF-DHIUTWEWSA-N 0 0 450.604 4.654 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC001452429943 1067223271 /nfs/dbraw/zinc/22/32/71/1067223271.db2.gz DYUPVSZGQFZWNF-XZOQPEGZSA-N 0 0 450.604 4.654 20 0 JJADRN COc1cncc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c1 ZINC001458994374 1067223384 /nfs/dbraw/zinc/22/33/84/1067223384.db2.gz ITWIZTJSGGWEDO-UHFFFAOYSA-N 0 0 454.349 4.844 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001458994532 1067223475 /nfs/dbraw/zinc/22/34/75/1067223475.db2.gz FXEFQGAJIDJQFY-MRXNPFEDSA-N 0 0 457.246 4.838 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(C)(C)CO ZINC001452437670 1067223864 /nfs/dbraw/zinc/22/38/64/1067223864.db2.gz MRXNOXFZMWCOCN-KRWDZBQOSA-N 0 0 453.486 4.537 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC001458995667 1067223951 /nfs/dbraw/zinc/22/39/51/1067223951.db2.gz NJVCVEHRGLHZMG-INIZCTEOSA-N 0 0 457.741 4.907 20 0 JJADRN Cc1cc(C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)sc1-c1ccc(F)cc1 ZINC001452444781 1067224415 /nfs/dbraw/zinc/22/44/15/1067224415.db2.gz WGXIAPUGFYNKQF-UHFFFAOYSA-N 0 0 459.296 4.566 20 0 JJADRN O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001452445127 1067224394 /nfs/dbraw/zinc/22/43/94/1067224394.db2.gz SZCFUGDDJLUTRV-NHCUHLMSSA-N 0 0 455.352 4.702 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1cc(Br)cc(Br)c1 ZINC001452444268 1067224435 /nfs/dbraw/zinc/22/44/35/1067224435.db2.gz UYDZJMZQFQJYSC-QGZVFWFLSA-N 0 0 453.174 4.845 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccnn3C)C(C)C)c3ccccc3n2)cc1OC ZINC001458995888 1067224448 /nfs/dbraw/zinc/22/44/48/1067224448.db2.gz UHRONVPHHDKUKG-NRFANRHFSA-N 0 0 458.562 4.822 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1sc2ccccc2c1=O ZINC001458997781 1067224768 /nfs/dbraw/zinc/22/47/68/1067224768.db2.gz KZRFCRBBANDPLO-UHFFFAOYSA-N 0 0 452.557 4.915 20 0 JJADRN CC(=O)c1cc(Br)cc(Cl)c1OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001458997434 1067224796 /nfs/dbraw/zinc/22/47/96/1067224796.db2.gz SWSWHCHNSKCAIP-UHFFFAOYSA-N 0 0 453.688 4.880 20 0 JJADRN Cc1c(NC(=O)COc2cc(Cl)cc(Cl)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001458997956 1067224813 /nfs/dbraw/zinc/22/48/13/1067224813.db2.gz KCJQPZHYNKDUNZ-UHFFFAOYSA-N 0 0 459.255 4.978 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001452446020 1067224818 /nfs/dbraw/zinc/22/48/18/1067224818.db2.gz ZRJXTBZWZINXTR-XMMPIXPASA-N 0 0 450.966 4.574 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001452446016 1067224894 /nfs/dbraw/zinc/22/48/94/1067224894.db2.gz ZRJXTBZWZINXTR-DEOSSOPVSA-N 0 0 450.966 4.574 20 0 JJADRN Cn1c(C(=O)N2CCOc3cccc(Br)c3C2)cc2cc(C(F)(F)F)ccc21 ZINC001452454439 1067225280 /nfs/dbraw/zinc/22/52/80/1067225280.db2.gz PGARLSWIEPJBON-UHFFFAOYSA-N 0 0 453.258 4.994 20 0 JJADRN CCC(C)(C)NC(=O)[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)C(C)C ZINC001458999053 1067225284 /nfs/dbraw/zinc/22/52/84/1067225284.db2.gz KCODECXZLUVOJB-FQEVSTJZSA-N 0 0 453.612 4.759 20 0 JJADRN Cc1c(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)nnn1Cc1ccccc1F ZINC001458998046 1067225334 /nfs/dbraw/zinc/22/53/34/1067225334.db2.gz LRDNKJWCDWYRPV-UHFFFAOYSA-N 0 0 453.518 4.953 20 0 JJADRN C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccco1)C(=O)N[C@H]1CCCC[C@H]1C ZINC001458999201 1067225732 /nfs/dbraw/zinc/22/57/32/1067225732.db2.gz LIYDFIMIYVZBOK-LQWHRVPQSA-N 0 0 454.596 4.674 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2Sc2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001452461756 1067225764 /nfs/dbraw/zinc/22/57/64/1067225764.db2.gz KDODJNCDUTYHOW-LEWJYISDSA-N 0 0 451.519 4.711 20 0 JJADRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(Cc2cc(Br)c3ccccc3c2)C1=O ZINC001459000504 1067225757 /nfs/dbraw/zinc/22/57/57/1067225757.db2.gz OMLSMPXTPQMXNV-QHCPKHFHSA-N 0 0 453.336 4.887 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC001452457266 1067225831 /nfs/dbraw/zinc/22/58/31/1067225831.db2.gz PEGNQOMBHQYKHM-SANMLTNESA-N 0 0 450.579 4.531 20 0 JJADRN O=C(NC[C@@H]1CCc2cccnc21)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001452477465 1067226167 /nfs/dbraw/zinc/22/61/67/1067226167.db2.gz FVYKUVARWUQCNY-HTAPYJJXSA-N 0 0 455.327 4.950 20 0 JJADRN O=C(NC[C@H]1CCc2cccnc21)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001452477470 1067226214 /nfs/dbraw/zinc/22/62/14/1067226214.db2.gz FVYKUVARWUQCNY-VGOFRKELSA-N 0 0 455.327 4.950 20 0 JJADRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)C2(c3ccc(C)cc3Br)CCCCC2)C1 ZINC001452478927 1067226729 /nfs/dbraw/zinc/22/67/29/1067226729.db2.gz GMYVEMKLCVASKR-QFBILLFUSA-N 0 0 454.380 4.709 20 0 JJADRN O=C(COc1ccc(Cl)c(F)c1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459003444 1067227117 /nfs/dbraw/zinc/22/71/17/1067227117.db2.gz FQYJGEUETOHGIO-UHFFFAOYSA-N 0 0 456.739 4.828 20 0 JJADRN COc1ccc(CNC(=O)COc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001459003717 1067227182 /nfs/dbraw/zinc/22/71/82/1067227182.db2.gz ZZBQPIJANDXHTG-UHFFFAOYSA-N 0 0 458.436 4.662 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452489865 1067227755 /nfs/dbraw/zinc/22/77/55/1067227755.db2.gz AWYXKMSIENHJRQ-KPACCLEDSA-N 0 0 478.674 4.778 20 0 JJADRN COc1ccc(C(=O)NCC[C@@H](C)CC(C)(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001459009764 1067228089 /nfs/dbraw/zinc/22/80/89/1067228089.db2.gz ZFEKDKPXEPJNBR-QRVBRYPASA-N 0 0 452.661 4.554 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(F)cc(Br)c1F ZINC001459006317 1067228176 /nfs/dbraw/zinc/22/81/76/1067228176.db2.gz UQRUEUQGTGGXSO-LJQANCHMSA-N 0 0 459.290 4.707 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Br)NCc1nc(-c2ccccn2)cs1 ZINC001452495294 1067228180 /nfs/dbraw/zinc/22/81/80/1067228180.db2.gz LWNVAEHUOUTQLD-UHFFFAOYSA-N 0 0 452.761 4.706 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 ZINC001459010795 1067228624 /nfs/dbraw/zinc/22/86/24/1067228624.db2.gz UNOYNPHVOPRYHN-URXFXBBRSA-N 0 0 450.560 4.831 20 0 JJADRN C[C@@]1(C(=O)NCCCCc2nc(-c3ccccn3)cs2)CC(c2ccccc2Cl)=NO1 ZINC001452496258 1067228650 /nfs/dbraw/zinc/22/86/50/1067228650.db2.gz IAMBMAFUVBGWBW-QHCPKHFHSA-N 0 0 454.983 4.881 20 0 JJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1ccc2sccc2c1=O ZINC001459010417 1067228658 /nfs/dbraw/zinc/22/86/58/1067228658.db2.gz PENCDQCSXNRKIY-UHFFFAOYSA-N 0 0 458.948 4.870 20 0 JJADRN CCOC(=O)c1c(C[C@@H](C)CC)c(C)sc1NC(=O)CSc1nc(C)c(C)c(=O)[nH]1 ZINC001459012650 1067228758 /nfs/dbraw/zinc/22/87/58/1067228758.db2.gz AWIUNWLCLHEUBL-NSHDSACASA-N 0 0 451.614 4.665 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC(c3ccccn3)=NO1)CC(C)(C)CC2 ZINC001459016624 1067229748 /nfs/dbraw/zinc/22/97/48/1067229748.db2.gz IQBHSIQWABMRDH-QGZVFWFLSA-N 0 0 455.580 4.745 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001546039576 1067230056 /nfs/dbraw/zinc/23/00/56/1067230056.db2.gz DQMSKUKNYSVBRF-JOCHJYFZSA-N 0 0 497.709 4.970 20 0 JJADRN O=C(NCc1nc(-c2ccccn2)cs1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001452503513 1067230115 /nfs/dbraw/zinc/23/01/15/1067230115.db2.gz LTJMXQJNZRJLAF-UHFFFAOYSA-N 0 0 456.453 4.688 20 0 JJADRN COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N(C)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001452512538 1067230145 /nfs/dbraw/zinc/23/01/45/1067230145.db2.gz DYASZXDNAAMOPI-UHFFFAOYSA-N 0 0 455.555 4.556 20 0 JJADRN CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452512922 1067230476 /nfs/dbraw/zinc/23/04/76/1067230476.db2.gz CAMSUNMFLNXTSU-UHFFFAOYSA-N 0 0 450.387 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC001546105559 1067230563 /nfs/dbraw/zinc/23/05/63/1067230563.db2.gz NNMPEVKPWSVCFK-UHFFFAOYSA-N 0 0 452.599 4.509 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC001452523310 1067231013 /nfs/dbraw/zinc/23/10/13/1067231013.db2.gz FLGMVYYBMCNAEJ-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001452520396 1067231196 /nfs/dbraw/zinc/23/11/96/1067231196.db2.gz UEWWSBAOCJLSHX-BXKMTCNYSA-N 0 0 452.913 4.943 20 0 JJADRN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452527947 1067231641 /nfs/dbraw/zinc/23/16/41/1067231641.db2.gz QIIXXXXEAQMWLF-BHDDXSALSA-N 0 0 452.492 4.643 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001452526475 1067231681 /nfs/dbraw/zinc/23/16/81/1067231681.db2.gz OZSNXRIGGIHXCO-ZDUSSCGKSA-N 0 0 451.316 4.722 20 0 JJADRN Cn1ccc2cccc(NC(=O)c3cccc(Br)c3I)c21 ZINC001459026728 1067231796 /nfs/dbraw/zinc/23/17/96/1067231796.db2.gz AHCNCZNEHZBXDK-UHFFFAOYSA-N 0 0 455.093 4.798 20 0 JJADRN Cn1ccc2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)c21 ZINC001459027043 1067231808 /nfs/dbraw/zinc/23/18/08/1067231808.db2.gz DNNRCCYDBLOUSG-UHFFFAOYSA-N 0 0 453.608 4.515 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC001459027231 1067232205 /nfs/dbraw/zinc/23/22/05/1067232205.db2.gz DYQOCSUZGMECIG-VIFPVBQESA-N 0 0 450.385 4.608 20 0 JJADRN Cc1c(Br)c(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)nn1C ZINC001459027555 1067232326 /nfs/dbraw/zinc/23/23/26/1067232326.db2.gz DZEMNYSIWMFCTN-UHFFFAOYSA-N 0 0 450.686 4.625 20 0 JJADRN CCC(O)(CC)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001546040019 1067232622 /nfs/dbraw/zinc/23/26/22/1067232622.db2.gz TXTKCOFVIPIHHG-AREMUKBSSA-N 0 0 452.643 4.950 20 0 JJADRN C[C@@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001459029373 1067233394 /nfs/dbraw/zinc/23/33/94/1067233394.db2.gz CODUITRFXJNAPT-SNVBAGLBSA-N 0 0 456.440 4.753 20 0 JJADRN Cc1nnc(SCC(=O)NCCOc2cccc(C(F)(F)F)c2)n1[C@H]1CCC[C@H](C)C1 ZINC001459030825 1067233838 /nfs/dbraw/zinc/23/38/38/1067233838.db2.gz HAQFFLMEEQFYAP-YOEHRIQHSA-N 0 0 456.534 4.644 20 0 JJADRN COC1(OC)CC2(CN(C(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)[C@H]2C(C)C)C1 ZINC001452555497 1067233787 /nfs/dbraw/zinc/23/37/87/1067233787.db2.gz DLJQJCGNFOKQLN-FQEVSTJZSA-N 0 0 451.007 4.964 20 0 JJADRN Cc1nnc(SCC(=O)NCCOc2cccc(C(F)(F)F)c2)n1[C@H]1CCC[C@@H](C)C1 ZINC001459030810 1067233849 /nfs/dbraw/zinc/23/38/49/1067233849.db2.gz HAQFFLMEEQFYAP-PBHICJAKSA-N 0 0 456.534 4.644 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)C1(CO)CCCC1 ZINC001452561210 1067234172 /nfs/dbraw/zinc/23/41/72/1067234172.db2.gz ONKJLKXFGSSIED-KRWDZBQOSA-N 0 0 457.459 4.870 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC001459032369 1067234258 /nfs/dbraw/zinc/23/42/58/1067234258.db2.gz IYDBIRBUVPOVIC-LLVKDONJSA-N 0 0 456.178 4.777 20 0 JJADRN Brc1ccc(OCCOc2c(Br)cccc2Br)cn1 ZINC001459033509 1067234738 /nfs/dbraw/zinc/23/47/38/1067234738.db2.gz QKKJEFYKGPYXGL-UHFFFAOYSA-N 0 0 451.940 4.827 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1 ZINC001452564400 1067234784 /nfs/dbraw/zinc/23/47/84/1067234784.db2.gz TUCLCIOGIUBWGZ-RBUKOAKNSA-N 0 0 459.587 4.528 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1cnc(-c2ccccc2Br)s1 ZINC001452570129 1067235257 /nfs/dbraw/zinc/23/52/57/1067235257.db2.gz FMBWWTMOXOPHMD-INIZCTEOSA-N 0 0 455.337 4.669 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2Br)C12CCC2 ZINC001452574358 1067235330 /nfs/dbraw/zinc/23/53/30/1067235330.db2.gz ZKMFRMNWMSSZEU-IRXDYDNUSA-N 0 0 451.405 4.679 20 0 JJADRN CC(=O)c1cc(Br)cc(F)c1OCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC001459036708 1067235831 /nfs/dbraw/zinc/23/58/31/1067235831.db2.gz DUPJBUAIHNYDFT-UHFFFAOYSA-N 0 0 451.317 4.917 20 0 JJADRN CC(=O)N[C@H](C)CCc1ccc(C(=O)COc2cc(F)c(Br)cc2Cl)cc1 ZINC001459036547 1067235838 /nfs/dbraw/zinc/23/58/38/1067235838.db2.gz BNFYQAIVPJBVME-GFCCVEGCSA-N 0 0 456.739 4.961 20 0 JJADRN C[C@H](C[C@H](O)c1cccs1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001546040713 1067236217 /nfs/dbraw/zinc/23/62/17/1067236217.db2.gz KUMQGHDEZGCVHU-WBMJQRKESA-N 0 0 451.411 4.805 20 0 JJADRN Cc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)F)c(-n2cc(Cl)cn2)n1 ZINC001459040590 1067236669 /nfs/dbraw/zinc/23/66/69/1067236669.db2.gz ZLLFJVXABOEODC-UHFFFAOYSA-N 0 0 456.884 4.591 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452612995 1067236758 /nfs/dbraw/zinc/23/67/58/1067236758.db2.gz JYFJXSHKDRDJGW-BJKOFHAPSA-N 0 0 477.944 4.608 20 0 JJADRN CCc1nc(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001452611449 1067236791 /nfs/dbraw/zinc/23/67/91/1067236791.db2.gz ZGVWHIRZWRNEOC-GHTZIAJQSA-N 0 0 459.377 4.865 20 0 JJADRN CC[C@@]1(C)CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC001459041030 1067236965 /nfs/dbraw/zinc/23/69/65/1067236965.db2.gz CWIHGQLRKUYHSO-FQEVSTJZSA-N 0 0 450.486 4.656 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001459042071 1067237324 /nfs/dbraw/zinc/23/73/24/1067237324.db2.gz BMPMBQXDBYROCW-DVECYGJZSA-N 0 0 458.396 4.869 20 0 JJADRN Cc1cc(N2CCC[C@@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)ccc1Br ZINC001459044090 1067237727 /nfs/dbraw/zinc/23/77/27/1067237727.db2.gz XIKDVJKNGAHHNH-GOSISDBHSA-N 0 0 457.397 4.754 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(F)cc2Br)C[C@H]1c1ccc(Cl)cc1 ZINC001452621832 1067238207 /nfs/dbraw/zinc/23/82/07/1067238207.db2.gz SNTWTYFKEDKJOA-UONOGXRCSA-N 0 0 475.141 4.924 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)c2nccc(C)c2c1 ZINC001459045419 1067238219 /nfs/dbraw/zinc/23/82/19/1067238219.db2.gz QEAMGUXGXWTVSQ-UHFFFAOYSA-N 0 0 453.384 4.618 20 0 JJADRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2Cl)n1 ZINC001459045380 1067238358 /nfs/dbraw/zinc/23/83/58/1067238358.db2.gz PHYFKBFTPDQEOH-UHFFFAOYSA-N 0 0 458.927 4.828 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)cc1 ZINC001459047523 1067238871 /nfs/dbraw/zinc/23/88/71/1067238871.db2.gz AGQDPUQVETVLAH-UHFFFAOYSA-N 0 0 459.937 4.745 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)C[C@H]1c1ccccc1 ZINC001452628726 1067238755 /nfs/dbraw/zinc/23/87/55/1067238755.db2.gz OWLAYSBKDLUMFN-LEWJYISDSA-N 0 0 466.921 4.523 20 0 JJADRN CC(C)(CC(F)(F)F)NC(=O)c1cc(Br)cc(I)c1 ZINC001459049864 1067239402 /nfs/dbraw/zinc/23/94/02/1067239402.db2.gz GAWHWOGEPUYUBY-UHFFFAOYSA-N 0 0 450.036 4.515 20 0 JJADRN Cc1c(C(=O)N2CCOc3c2cccc3C(C)(C)C)nnn1-c1ccccc1Br ZINC001459052216 1067239640 /nfs/dbraw/zinc/23/96/40/1067239640.db2.gz PWFLIAOAQUANTI-UHFFFAOYSA-N 0 0 455.356 4.675 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)CC1 ZINC001459052584 1067240000 /nfs/dbraw/zinc/24/00/00/1067240000.db2.gz PAFFJXVZVXBSHR-UHFFFAOYSA-N 0 0 459.512 4.824 20 0 JJADRN CCC(CC)N1C[C@@H](C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)CC1=O ZINC001459052904 1067240074 /nfs/dbraw/zinc/24/00/74/1067240074.db2.gz OAKGHULUYIZWAP-INIZCTEOSA-N 0 0 453.974 4.666 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001546041628 1067240427 /nfs/dbraw/zinc/24/04/27/1067240427.db2.gz ISPIOJVNQJLCFU-JKSUJKDBSA-N 0 0 483.476 4.501 20 0 JJADRN CCc1csc(CC2CCN(C(=O)CCc3ccc(OC)c(Br)c3)CC2)n1 ZINC001452652728 1067240798 /nfs/dbraw/zinc/24/07/98/1067240798.db2.gz FYUSLKBINWFEKY-UHFFFAOYSA-N 0 0 451.430 4.891 20 0 JJADRN COc1cccc2c1OCC[C@H]2NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001452653204 1067240845 /nfs/dbraw/zinc/24/08/45/1067240845.db2.gz MBWBWIFFGYNQRP-FXAWDEMLSA-N 0 0 452.551 4.954 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3cccc(C)c3I)CC2)n1 ZINC001452655894 1067241218 /nfs/dbraw/zinc/24/12/18/1067241218.db2.gz MAQZJDODSGUZAL-UHFFFAOYSA-N 0 0 454.377 4.713 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001459058367 1067241302 /nfs/dbraw/zinc/24/13/02/1067241302.db2.gz JRCJGEKIGYCFJN-UHFFFAOYSA-N 0 0 454.958 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC001452654076 1067241263 /nfs/dbraw/zinc/24/12/63/1067241263.db2.gz IQMXSEZSZLDFSL-IBGZPJMESA-N 0 0 454.914 4.536 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001459062556 1067241935 /nfs/dbraw/zinc/24/19/35/1067241935.db2.gz YGGVCNDKAIWKCD-GOSISDBHSA-N 0 0 458.002 4.819 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC001452659525 1067242003 /nfs/dbraw/zinc/24/20/03/1067242003.db2.gz DUIIQLIAZFMHJN-FQEVSTJZSA-N 0 0 456.608 4.668 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)C1CC1 ZINC001459061878 1067241977 /nfs/dbraw/zinc/24/19/77/1067241977.db2.gz VOKIOKDJGAAUJG-MRXNPFEDSA-N 0 0 453.370 4.644 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001452665838 1067242462 /nfs/dbraw/zinc/24/24/62/1067242462.db2.gz RMPSHLMKOZBONW-UZLBHIALSA-N 0 0 455.380 4.810 20 0 JJADRN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc2c(cn1)OCCC2 ZINC001459065906 1067242853 /nfs/dbraw/zinc/24/28/53/1067242853.db2.gz APIVWUBAMJVBDU-UHFFFAOYSA-N 0 0 450.335 4.541 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)cn2)c(C)c1 ZINC001459068931 1067243268 /nfs/dbraw/zinc/24/32/68/1067243268.db2.gz ATTIPYLRLPTZLK-UHFFFAOYSA-N 0 0 451.592 4.831 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NC[C@@](C)(C(=O)OC)c3ccccc3)s2)cc1 ZINC001459069000 1067243318 /nfs/dbraw/zinc/24/33/18/1067243318.db2.gz AXUXJKGBAWIQSM-RUZDIDTESA-N 0 0 452.576 4.632 20 0 JJADRN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1cc(Br)c(F)cc1F ZINC001459068582 1067243398 /nfs/dbraw/zinc/24/33/98/1067243398.db2.gz GNDGEFFGACXILY-UHFFFAOYSA-N 0 0 453.264 4.761 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452687465 1067243362 /nfs/dbraw/zinc/24/33/62/1067243362.db2.gz UCDWQZPCAPVKDJ-YJMBLLCNSA-N 0 0 452.636 4.568 20 0 JJADRN CC[C@H](OC1CCCCC1)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452687458 1067243400 /nfs/dbraw/zinc/24/34/00/1067243400.db2.gz UCDWQZPCAPVKDJ-PSWRPDDJSA-N 0 0 452.636 4.568 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC)cc2OCCC(C)C)ccc1Br ZINC001459070559 1067243847 /nfs/dbraw/zinc/24/38/47/1067243847.db2.gz OYJOTAKXSRRMNP-UHFFFAOYSA-N 0 0 450.329 4.922 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 ZINC001459071488 1067244311 /nfs/dbraw/zinc/24/43/11/1067244311.db2.gz JQRRHYGQIPEUNR-IYARVYRRSA-N 0 0 453.410 4.650 20 0 JJADRN CC(=O)Nc1cc(OCc2cccc3c2OCCO3)c(Br)cc1Br ZINC001459070950 1067244328 /nfs/dbraw/zinc/24/43/28/1067244328.db2.gz KGFFHNHFQRDRGD-UHFFFAOYSA-N 0 0 457.118 4.520 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2)cc1C ZINC001452690919 1067244460 /nfs/dbraw/zinc/24/44/60/1067244460.db2.gz KLWMWQFWVDVUGW-KRWDZBQOSA-N 0 0 455.407 4.808 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccccc1 ZINC001459074396 1067245411 /nfs/dbraw/zinc/24/54/11/1067245411.db2.gz IUJQSDVOXJGYPD-HHHXNRCGSA-N 0 0 455.514 4.573 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)NCc3cccc(-c4cnco4)c3)C2)C1 ZINC001452716430 1067246134 /nfs/dbraw/zinc/24/61/34/1067246134.db2.gz PRWPKPRILAIUNI-SZTYLXMGSA-N 0 0 457.596 4.527 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@H](N4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714146 1067246141 /nfs/dbraw/zinc/24/61/41/1067246141.db2.gz NDRRCOXCZXTWIX-RPBOFIJWSA-N 0 0 450.623 4.792 20 0 JJADRN CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001452725579 1067246538 /nfs/dbraw/zinc/24/65/38/1067246538.db2.gz IYBARYAJHISTCP-RBUKOAKNSA-N 0 0 454.514 4.543 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Oc1ccc(-c2ncn(C)n2)cc1 ZINC001459078333 1067246910 /nfs/dbraw/zinc/24/69/10/1067246910.db2.gz QXMJJKIVWVJIIU-UHFFFAOYSA-N 0 0 453.296 4.681 20 0 JJADRN Cc1nnsc1COc1cc(C(F)(F)F)nc2ccc(I)cc21 ZINC001459079986 1067247495 /nfs/dbraw/zinc/24/74/95/1067247495.db2.gz NJYBWAFTAFEQNF-UHFFFAOYSA-N 0 0 451.211 4.597 20 0 JJADRN O=C(CSCCCCCCN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CCCC2 ZINC001459080364 1067247517 /nfs/dbraw/zinc/24/75/17/1067247517.db2.gz WHOAJWOHFKZOBS-UHFFFAOYSA-N 0 0 457.621 4.550 20 0 JJADRN CCOC(=O)c1sc(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nc1C ZINC001459084984 1067248273 /nfs/dbraw/zinc/24/82/73/1067248273.db2.gz KJSQOWXUUUGNLJ-FQEVSTJZSA-N 0 0 452.601 4.895 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001546105929 1067248403 /nfs/dbraw/zinc/24/84/03/1067248403.db2.gz CRBWPDCKICYOLN-UHFFFAOYSA-N 0 0 460.504 4.849 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2csc(COC)n2)C1 ZINC001546105941 1067248423 /nfs/dbraw/zinc/24/84/23/1067248423.db2.gz DCUCJEJMCVHBJI-UHFFFAOYSA-N 0 0 471.627 4.630 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1 ZINC001546043463 1067248450 /nfs/dbraw/zinc/24/84/50/1067248450.db2.gz SWWWHCDCLGMZIF-MOPGFXCFSA-N 0 0 473.618 4.836 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](SC)C1 ZINC001546042948 1067248616 /nfs/dbraw/zinc/24/86/16/1067248616.db2.gz CWXJELPNDIBCMH-OALUTQOASA-N 0 0 481.707 4.623 20 0 JJADRN FC(F)(F)c1cc(Br)ccc1-c1nnn(Cc2nccc(Cl)c2Cl)n1 ZINC001459086452 1067248748 /nfs/dbraw/zinc/24/87/48/1067248748.db2.gz HKTSGGQDVCHOND-UHFFFAOYSA-N 0 0 453.049 4.872 20 0 JJADRN C[C@H](Sc1nnc2ccc(Br)cn21)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001459086966 1067248849 /nfs/dbraw/zinc/24/88/49/1067248849.db2.gz KYKWZFGTSZXWCG-KBPBESRZSA-N 0 0 459.413 4.729 20 0 JJADRN Cc1cc(Cn2cc(Br)cc(Cl)c2=O)c(C)cc1I ZINC001459086458 1067248864 /nfs/dbraw/zinc/24/88/64/1067248864.db2.gz HNSUNIJWGXDEFW-UHFFFAOYSA-N 0 0 452.517 4.534 20 0 JJADRN Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[nH]c1=O ZINC001459089461 1067249357 /nfs/dbraw/zinc/24/93/57/1067249357.db2.gz CZOFDTFBXKBTRB-WRWLIDTKSA-N 0 0 457.596 4.839 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001452761864 1067249575 /nfs/dbraw/zinc/24/95/75/1067249575.db2.gz ASLGTUWMYBIFDE-MRXNPFEDSA-N 0 0 451.527 4.650 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001452761804 1067249580 /nfs/dbraw/zinc/24/95/80/1067249580.db2.gz ASLGTUWMYBIFDE-INIZCTEOSA-N 0 0 451.527 4.650 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnn(C)c2)C1 ZINC001546105990 1067249802 /nfs/dbraw/zinc/24/98/02/1067249802.db2.gz FQSTVMNDCUVGHK-UHFFFAOYSA-N 0 0 461.383 4.645 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(C2SCCS2)cc1 ZINC001459099661 1067250090 /nfs/dbraw/zinc/25/00/90/1067250090.db2.gz ODRFCEVQXVJMIG-INIZCTEOSA-N 0 0 452.523 4.719 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)c3cc(N4C[C@@H](C)O[C@H](C)C4)ccn3)nc2)c1 ZINC001452767045 1067250187 /nfs/dbraw/zinc/25/01/87/1067250187.db2.gz JUAKXWHDXPCDSJ-IAGOWNOFSA-N 0 0 450.564 4.502 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC001452770597 1067250897 /nfs/dbraw/zinc/25/08/97/1067250897.db2.gz RZOFEOLZAQIJIS-LJQANCHMSA-N 0 0 453.283 4.580 20 0 JJADRN FC(F)(F)c1cccc(I)c1OC[C@@H]1CCC2(CCOCC2)CO1 ZINC001459104614 1067251031 /nfs/dbraw/zinc/25/10/31/1067251031.db2.gz LNRSEBAEDPOPFG-LBPRGKRZSA-N 0 0 456.242 4.665 20 0 JJADRN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H](Cc2ccccc2)c2nccn2C)cc1 ZINC001452777444 1067251254 /nfs/dbraw/zinc/25/12/54/1067251254.db2.gz QQHFYXRHJKGFBI-HSZRJFAPSA-N 0 0 459.619 4.922 20 0 JJADRN Clc1cc(Cl)c(OCc2nnnn2-c2ccccc2Br)c2ncccc12 ZINC001459105430 1067251655 /nfs/dbraw/zinc/25/16/55/1067251655.db2.gz LOGFUWHGMXQCCA-UHFFFAOYSA-N 0 0 451.111 4.859 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC001459107380 1067252111 /nfs/dbraw/zinc/25/21/11/1067252111.db2.gz KBDWWNSRZLFCAR-WOJBJXKFSA-N 0 0 452.595 4.615 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459107971 1067252157 /nfs/dbraw/zinc/25/21/57/1067252157.db2.gz CEINGSYVDMNTRZ-DEOSSOPVSA-N 0 0 454.526 4.836 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452792037 1067252241 /nfs/dbraw/zinc/25/22/41/1067252241.db2.gz VFQBBVWHISIKGZ-VWLOTQADSA-N 0 0 453.970 4.684 20 0 JJADRN COc1ccc([C@@H](CC(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)NC(C)=O)cc1 ZINC001459110025 1067252544 /nfs/dbraw/zinc/25/25/44/1067252544.db2.gz HXINUEISHLXZJZ-CJFMBICVSA-N 0 0 457.574 4.704 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCCCS(C)(=O)=O)C1 ZINC001546106387 1067252676 /nfs/dbraw/zinc/25/26/76/1067252676.db2.gz VFBADEZGUTZPTM-UHFFFAOYSA-N 0 0 469.655 4.725 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2nccs2)O1 ZINC001546044369 1067252757 /nfs/dbraw/zinc/25/27/57/1067252757.db2.gz ADEVJHCIWCUSQR-YADARESESA-N 0 0 468.627 4.588 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)O1 ZINC001546044374 1067252843 /nfs/dbraw/zinc/25/28/43/1067252843.db2.gz AGEOHGSLCXKLJW-JJPBMRITSA-N 0 0 471.671 4.825 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)c1cnc2c(c1)NC(=O)CS2 ZINC001452802118 1067253586 /nfs/dbraw/zinc/25/35/86/1067253586.db2.gz NHOFKEAMWAYTRE-UHFFFAOYSA-N 0 0 456.321 4.933 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1sccc1C(=O)OC(C)(C)C ZINC001459114089 1067253567 /nfs/dbraw/zinc/25/35/67/1067253567.db2.gz FDSFKRNQMLITPX-UHFFFAOYSA-N 0 0 459.305 4.569 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)c1cc2c(c(Br)c1)OCO2 ZINC001459113790 1067253583 /nfs/dbraw/zinc/25/35/83/1067253583.db2.gz FYUAJJOKTNNYSP-UHFFFAOYSA-N 0 0 451.070 4.708 20 0 JJADRN O=C(Oc1cnc2ccc(Br)cc2c1)c1cnc2ncc(Br)cc2c1 ZINC001459113978 1067253647 /nfs/dbraw/zinc/25/36/47/1067253647.db2.gz GZLZCJFHKUXCKO-UHFFFAOYSA-N 0 0 459.097 4.922 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC001459116515 1067254104 /nfs/dbraw/zinc/25/41/04/1067254104.db2.gz LKHQLTWTHHQKMM-UHFFFAOYSA-N 0 0 455.902 4.622 20 0 JJADRN Cc1c(C(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001452805427 1067254132 /nfs/dbraw/zinc/25/41/32/1067254132.db2.gz MRVGRZWAWIQZEV-KRWDZBQOSA-N 0 0 451.567 4.574 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C)cc1OC ZINC001452806339 1067254184 /nfs/dbraw/zinc/25/41/84/1067254184.db2.gz VDJQXHFRLASFGT-UHFFFAOYSA-N 0 0 454.502 4.574 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC001459119359 1067254574 /nfs/dbraw/zinc/25/45/74/1067254574.db2.gz GHGAFAIZLQNUMW-SFHVURJKSA-N 0 0 451.133 4.884 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1F ZINC001452810252 1067254717 /nfs/dbraw/zinc/25/47/17/1067254717.db2.gz FXIONTQBCWCQGK-DVECYGJZSA-N 0 0 456.558 4.631 20 0 JJADRN Cc1cc(C(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(C)n1-c1nccs1 ZINC001452809458 1067254746 /nfs/dbraw/zinc/25/47/46/1067254746.db2.gz UYTHZZZPODZXEE-SFHVURJKSA-N 0 0 452.580 4.647 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001452816732 1067255052 /nfs/dbraw/zinc/25/50/52/1067255052.db2.gz RXIADOSOGKWHOL-AREMUKBSSA-N 0 0 451.542 4.658 20 0 JJADRN CCC(CC)(C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC001459121548 1067255519 /nfs/dbraw/zinc/25/55/19/1067255519.db2.gz KEBDVKHPQRUKOI-JOCHJYFZSA-N 0 0 453.579 4.778 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)nnn1-c1cccc(C)c1 ZINC001459120194 1067255562 /nfs/dbraw/zinc/25/55/62/1067255562.db2.gz IXKUKKHYHKEHGO-HXUWFJFHSA-N 0 0 453.384 4.788 20 0 JJADRN CCC(CC)(C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC001459121554 1067255577 /nfs/dbraw/zinc/25/55/77/1067255577.db2.gz KEBDVKHPQRUKOI-QFIPXVFZSA-N 0 0 453.579 4.778 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)nnn1-c1cccc(C)c1 ZINC001459120190 1067255608 /nfs/dbraw/zinc/25/56/08/1067255608.db2.gz IXKUKKHYHKEHGO-FQEVSTJZSA-N 0 0 453.384 4.788 20 0 JJADRN CCC[C@H](C)[C@@H](CO)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001452824525 1067255623 /nfs/dbraw/zinc/25/56/23/1067255623.db2.gz WITFMAJCYSCLRH-WCQYABFASA-N 0 0 453.839 4.706 20 0 JJADRN C[C@H](O)[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1F ZINC001452820858 1067255781 /nfs/dbraw/zinc/25/57/81/1067255781.db2.gz SNAGNLWIDLDTCC-DYZYQPBXSA-N 0 0 455.374 4.554 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC001459123297 1067256050 /nfs/dbraw/zinc/25/60/50/1067256050.db2.gz MGKSDXDKYKGVGX-AMXDTQDGSA-N 0 0 452.382 4.661 20 0 JJADRN Cc1ccc(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1N1CCOCC1 ZINC001459125267 1067256108 /nfs/dbraw/zinc/25/61/08/1067256108.db2.gz OMOVHEGXROLMPF-QFIPXVFZSA-N 0 0 457.412 4.735 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1ccc(SC(F)(F)F)nc1)c1ccc(Cl)c(Cl)c1 ZINC001459125344 1067256153 /nfs/dbraw/zinc/25/61/53/1067256153.db2.gz OQALTPZYYBWIJY-INIZCTEOSA-N 0 0 453.269 4.819 20 0 JJADRN C[C@H](C(=O)NCc1cc(Br)ccc1Br)[C@H]1OCCc2sccc21 ZINC001459126558 1067256396 /nfs/dbraw/zinc/25/63/96/1067256396.db2.gz QHQZREPXPSXMLR-MGPLVRAMSA-N 0 0 459.203 4.839 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC001459127478 1067256948 /nfs/dbraw/zinc/25/69/48/1067256948.db2.gz SLSRWBVENQBZLQ-SFHVURJKSA-N 0 0 450.240 4.639 20 0 JJADRN CCCCN(C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)[C@@H]1CCc2ncsc2C1 ZINC001452849949 1067257163 /nfs/dbraw/zinc/25/71/63/1067257163.db2.gz WSLQMWBQLIGEFE-CQSZACIVSA-N 0 0 452.502 4.561 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1)c1cccnc1 ZINC001452852857 1067257187 /nfs/dbraw/zinc/25/71/87/1067257187.db2.gz IRRVRGGTELYUMO-UHFFFAOYSA-N 0 0 455.345 4.603 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)nc1 ZINC001459129501 1067257479 /nfs/dbraw/zinc/25/74/79/1067257479.db2.gz VKJUBRPYODAUMY-IBGZPJMESA-N 0 0 459.384 4.941 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2cccc(F)c2O1 ZINC001459129944 1067257489 /nfs/dbraw/zinc/25/74/89/1067257489.db2.gz VUDHBNGMAKNLGZ-HIFRSBDPSA-N 0 0 451.325 4.799 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CCNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001452856839 1067257625 /nfs/dbraw/zinc/25/76/25/1067257625.db2.gz QMAAXXOBWWGIFG-KRWDZBQOSA-N 0 0 459.414 4.864 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC001452858777 1067257700 /nfs/dbraw/zinc/25/77/00/1067257700.db2.gz KWIQUKYSXPTSTL-INIZCTEOSA-N 0 0 458.521 4.841 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1nc2cccc(Cl)c2n1C ZINC001459140548 1067258872 /nfs/dbraw/zinc/25/88/72/1067258872.db2.gz KHAUHRILRJTNBT-UHFFFAOYSA-N 0 0 459.731 4.883 20 0 JJADRN CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1OC)c1cc(F)cc(Br)c1 ZINC001459140823 1067259077 /nfs/dbraw/zinc/25/90/77/1067259077.db2.gz MRNPGDNFJYMEOJ-KRWDZBQOSA-N 0 0 454.336 4.814 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(OC)c(Cl)c1 ZINC001459140997 1067259531 /nfs/dbraw/zinc/25/95/31/1067259531.db2.gz OQNCEKGOTQZDPI-NRFANRHFSA-N 0 0 458.942 4.512 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)O1 ZINC001546045637 1067259644 /nfs/dbraw/zinc/25/96/44/1067259644.db2.gz QWXDQLGNRASMKZ-XTQVGHSUSA-N 0 0 499.553 4.589 20 0 JJADRN CCOC(=O)c1ccc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 ZINC001452893349 1067260218 /nfs/dbraw/zinc/26/02/18/1067260218.db2.gz BYMJSGVRDHLRHE-NRFANRHFSA-N 0 0 452.551 4.740 20 0 JJADRN C[C@@H](C(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F ZINC001459146309 1067260469 /nfs/dbraw/zinc/26/04/69/1067260469.db2.gz FHUIWZVUTOMZAO-HZPDHXFCSA-N 0 0 454.514 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC001452895725 1067260719 /nfs/dbraw/zinc/26/07/19/1067260719.db2.gz CYRBOBRDWWCJCQ-IEBWSBKVSA-N 0 0 452.954 4.559 20 0 JJADRN C[C@@H](OCCc1ccccc1)C(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452896792 1067260769 /nfs/dbraw/zinc/26/07/69/1067260769.db2.gz LPSYQMGJXIDDSI-NFBKMPQASA-N 0 0 452.595 4.897 20 0 JJADRN CSCc1cccc(CNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c1 ZINC001459147733 1067260974 /nfs/dbraw/zinc/26/09/74/1067260974.db2.gz ATMOQWSCKDJIBA-GOSISDBHSA-N 0 0 454.617 4.519 20 0 JJADRN CC[C@@H](NC(=O)c1cn2ccc(Br)cc2n1)c1cc(F)cc(Br)c1 ZINC001459147955 1067261007 /nfs/dbraw/zinc/26/10/07/1067261007.db2.gz LXVJQUBEEBSVEW-CQSZACIVSA-N 0 0 455.125 4.880 20 0 JJADRN CCCc1c(C(=O)NCc2ccc(SC)cc2)nnn1Cc1cccc(Br)c1 ZINC001459147935 1067261048 /nfs/dbraw/zinc/26/10/48/1067261048.db2.gz CSNZFBLZFIVETG-UHFFFAOYSA-N 0 0 459.413 4.693 20 0 JJADRN CCCc1noc(CCCC(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)n1 ZINC001452896907 1067261160 /nfs/dbraw/zinc/26/11/60/1067261160.db2.gz MCIMAYLXCNEJRO-LJQANCHMSA-N 0 0 456.587 4.608 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001459148907 1067261430 /nfs/dbraw/zinc/26/14/30/1067261430.db2.gz QYXUPMVXWAPNOG-QFIPXVFZSA-N 0 0 456.464 4.604 20 0 JJADRN COc1ccc2sc(C(=O)N(C)[C@@H](C)c3ccc(N4CCCS4(=O)=O)cc3)c(C)c2c1 ZINC001459149782 1067261559 /nfs/dbraw/zinc/26/15/59/1067261559.db2.gz PQTWHUJXBHBJSK-INIZCTEOSA-N 0 0 458.605 4.591 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546045844 1067261588 /nfs/dbraw/zinc/26/15/88/1067261588.db2.gz UBBGYINVNLNZMB-XMRFLYQSSA-N 0 0 460.594 4.768 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1cc(F)cc(Br)c1 ZINC001459151682 1067262020 /nfs/dbraw/zinc/26/20/20/1067262020.db2.gz XSJMDWBUDJLQPT-QGTPRVQTSA-N 0 0 458.368 4.683 20 0 JJADRN O=C(Oc1cccc(Cl)c1F)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001459151245 1067262067 /nfs/dbraw/zinc/26/20/67/1067262067.db2.gz VSWRMFRNHMJGDL-UHFFFAOYSA-N 0 0 451.928 4.507 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001452902601 1067262008 /nfs/dbraw/zinc/26/20/08/1067262008.db2.gz JKNMORFVJGMUFG-MOPGFXCFSA-N 0 0 453.564 4.609 20 0 JJADRN CC[C@](O)(CC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 ZINC001452904761 1067262034 /nfs/dbraw/zinc/26/20/34/1067262034.db2.gz WKIVYEYIOANCEQ-CUNXSJBXSA-N 0 0 452.595 4.937 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1C ZINC001452901966 1067262156 /nfs/dbraw/zinc/26/21/56/1067262156.db2.gz HILVQZAXIULMEM-QOXFPCGXSA-N 0 0 456.627 4.718 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)C1 ZINC001452905411 1067262482 /nfs/dbraw/zinc/26/24/82/1067262482.db2.gz OLVDZAXMUFDMDP-SJBKTWHCSA-N 0 0 454.567 4.871 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)c1 ZINC001452904802 1067262598 /nfs/dbraw/zinc/26/25/98/1067262598.db2.gz WPXMYKAKHRBQEJ-OAQYLSRUSA-N 0 0 452.551 4.658 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1nn(C)c2ccccc12 ZINC001459152889 1067262562 /nfs/dbraw/zinc/26/25/62/1067262562.db2.gz XTSJSCVLHCFHST-OAHLLOKOSA-N 0 0 454.983 4.862 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(Cl)cc1Br)CCS2 ZINC001459158065 1067263515 /nfs/dbraw/zinc/26/35/15/1067263515.db2.gz DPLLKJMWEPYWTO-UHFFFAOYSA-N 0 0 454.773 4.961 20 0 JJADRN C[C@@H](NC(=O)Cc1cc(Br)cc(I)c1)c1cccs1 ZINC001459162537 1067264090 /nfs/dbraw/zinc/26/40/90/1067264090.db2.gz PFUHDPJSODTBKD-SECBINFHSA-N 0 0 450.139 4.535 20 0 JJADRN Cc1cccc(OCCNC(=O)CSc2nccc(-c3ccc(Br)cc3)n2)c1 ZINC001459162645 1067264114 /nfs/dbraw/zinc/26/41/14/1067264114.db2.gz CZUQHYAJTLNFMY-UHFFFAOYSA-N 0 0 458.381 4.502 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc3cc(Br)sc3[nH]1)C2 ZINC001452920418 1067264661 /nfs/dbraw/zinc/26/46/61/1067264661.db2.gz JHLSESHTIFDNNA-RBZFPXEDSA-N 0 0 468.417 4.759 20 0 JJADRN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]3C)c(C)c1Cl ZINC001459166210 1067265131 /nfs/dbraw/zinc/26/51/31/1067265131.db2.gz RXJISNKAUQMETE-MFKMUULPSA-N 0 0 453.992 4.831 20 0 JJADRN O=C(Nc1cc(Br)cnc1Cl)c1cnn(-c2cccc(Br)c2)c1 ZINC001459167218 1067265187 /nfs/dbraw/zinc/26/51/87/1067265187.db2.gz ZSDIFVSCOOQMFW-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]3C)c(C)c1Cl ZINC001459166212 1067265199 /nfs/dbraw/zinc/26/51/99/1067265199.db2.gz RXJISNKAUQMETE-ZWNOBZJWSA-N 0 0 453.992 4.831 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc3cc(Br)ccc3[nH]1)C2 ZINC001452923623 1067265244 /nfs/dbraw/zinc/26/52/44/1067265244.db2.gz WMGFWAFYEHYSQH-NYHFZMIOSA-N 0 0 462.388 4.697 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)CC(C)C ZINC001452923380 1067265254 /nfs/dbraw/zinc/26/52/54/1067265254.db2.gz LSMWNYIUHKVQBR-INIZCTEOSA-N 0 0 456.505 4.568 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC001452933877 1067265537 /nfs/dbraw/zinc/26/55/37/1067265537.db2.gz OQMNLGYOBBMNEI-AKJBCIBTSA-N 0 0 454.455 4.976 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(Cl)s2)O1 ZINC001546046240 1067265552 /nfs/dbraw/zinc/26/55/52/1067265552.db2.gz YIMPYPJCNKIOPK-IVZQSRNASA-N 0 0 475.018 4.624 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC001452933908 1067265669 /nfs/dbraw/zinc/26/56/69/1067265669.db2.gz OQMNLGYOBBMNEI-YHAMSUFESA-N 0 0 454.455 4.976 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1ncc(C)cc1C ZINC001459171750 1067265619 /nfs/dbraw/zinc/26/56/19/1067265619.db2.gz BMYHQKPPIDIRIB-UHFFFAOYSA-N 0 0 451.548 4.699 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)c1 ZINC001546106865 1067265666 /nfs/dbraw/zinc/26/56/66/1067265666.db2.gz PGAVAZVPHLJFDS-IBGZPJMESA-N 0 0 453.004 4.845 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CSc3ncc4c(n3)CC(C)(C)CC4=O)s2)cc1 ZINC001459170327 1067265697 /nfs/dbraw/zinc/26/56/97/1067265697.db2.gz HZMQFDYMBIFNFA-UHFFFAOYSA-N 0 0 453.593 4.590 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)C(=O)c1ccc(Br)s1 ZINC001459176058 1067265937 /nfs/dbraw/zinc/26/59/37/1067265937.db2.gz BWPZOZLYURUEFG-GFCCVEGCSA-N 0 0 459.203 4.936 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)OC2CCCC2)O1 ZINC001546046296 1067266126 /nfs/dbraw/zinc/26/61/26/1067266126.db2.gz ZBGARWGFBDYMEU-BWKNWUBXSA-N 0 0 455.603 4.805 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001452949713 1067266614 /nfs/dbraw/zinc/26/66/14/1067266614.db2.gz CTFLLLDOPOQXGH-UHFFFAOYSA-N 0 0 459.775 4.559 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001459180363 1067266949 /nfs/dbraw/zinc/26/69/49/1067266949.db2.gz ZFVIMMGQSZQWDZ-YWZLYKJASA-N 0 0 451.311 4.700 20 0 JJADRN Cc1nn(-c2ccccc2)c2nc(C(=O)N(C)[C@H](CO)c3cccc(Cl)c3Cl)ccc12 ZINC001452952901 1067267031 /nfs/dbraw/zinc/26/70/31/1067267031.db2.gz CGHDFDYQDDKVIF-HXUWFJFHSA-N 0 0 455.345 4.841 20 0 JJADRN CC(C)c1nc(C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)nn1-c1cccc(F)c1 ZINC001452956403 1067267106 /nfs/dbraw/zinc/26/71/06/1067267106.db2.gz IYMKIUMRWHKGOS-QGZVFWFLSA-N 0 0 451.329 4.642 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)cn21 ZINC001459184946 1067267739 /nfs/dbraw/zinc/26/77/39/1067267739.db2.gz AAEVZRCOXQKLKL-BNCSFYMNSA-N 0 0 451.958 4.539 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)cn21 ZINC001459185276 1067267934 /nfs/dbraw/zinc/26/79/34/1067267934.db2.gz CXOPEZNNVUEDNQ-HRAATJIYSA-N 0 0 457.937 4.582 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC001459185669 1067268219 /nfs/dbraw/zinc/26/82/19/1067268219.db2.gz QBVKENRPQJQFDX-UHFFFAOYSA-N 0 0 454.979 4.670 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)c1 ZINC001459187306 1067268716 /nfs/dbraw/zinc/26/87/16/1067268716.db2.gz IVWMNEOWBFQHMN-UHFFFAOYSA-N 0 0 451.223 4.638 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(C(F)F)n1 ZINC001452967666 1067269092 /nfs/dbraw/zinc/26/90/92/1067269092.db2.gz MYGKHNJVFIWGRB-UHFFFAOYSA-N 0 0 451.315 4.919 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc(F)c(I)c1 ZINC001459188689 1067269200 /nfs/dbraw/zinc/26/92/00/1067269200.db2.gz OHHQJQCRZXFGJS-UHFFFAOYSA-N 0 0 458.177 4.832 20 0 JJADRN CC[C@H](Nc1cccnc1Cl)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452967628 1067269115 /nfs/dbraw/zinc/26/91/15/1067269115.db2.gz VYOHBERIGLZQQB-ROUUACIJSA-N 0 0 458.990 4.798 20 0 JJADRN COc1c(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)oc2ccccc21 ZINC001459193609 1067269599 /nfs/dbraw/zinc/26/95/99/1067269599.db2.gz ZRKWOSPJKWFUKA-QKQONQEDSA-N 0 0 452.938 4.806 20 0 JJADRN CCC[C@H](C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 ZINC001452969398 1067269674 /nfs/dbraw/zinc/26/96/74/1067269674.db2.gz ZSZQXIRWTPLZFQ-ZJOUEHCJSA-N 0 0 480.502 4.781 20 0 JJADRN O=c1c2cnn(-c3cccc(Br)c3)c2ncn1Cc1c(Cl)cccc1Cl ZINC001459195045 1067269900 /nfs/dbraw/zinc/26/99/00/1067269900.db2.gz LBXXBPWGBHRODD-UHFFFAOYSA-N 0 0 450.123 4.700 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N(Cc1ccccn1)C(C)(C)C ZINC001459195269 1067270034 /nfs/dbraw/zinc/27/00/34/1067270034.db2.gz YLJLMXQBLCXZFQ-UHFFFAOYSA-N 0 0 458.727 4.789 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001452980283 1067270225 /nfs/dbraw/zinc/27/02/25/1067270225.db2.gz XWJVBOMHOKQZRC-DDUZABMNSA-N 0 0 469.445 4.746 20 0 JJADRN O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CCSC[C@@H]1c1nccs1 ZINC001459199055 1067270458 /nfs/dbraw/zinc/27/04/58/1067270458.db2.gz AUYIVGAWMHPEPN-CQSZACIVSA-N 0 0 451.499 4.626 20 0 JJADRN COc1ccc(NC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)c(OCc2ccccc2)c1 ZINC001459202865 1067270506 /nfs/dbraw/zinc/27/05/06/1067270506.db2.gz XMXCZYMQCUXRFQ-NRFANRHFSA-N 0 0 458.555 4.531 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(I)c(Cl)c1)CC3 ZINC001452983989 1067270433 /nfs/dbraw/zinc/27/04/33/1067270433.db2.gz OEDFUYYORVDNNZ-UHFFFAOYSA-N 0 0 450.707 4.933 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC001452983392 1067270566 /nfs/dbraw/zinc/27/05/66/1067270566.db2.gz HWJVUUXKHGOHHI-JOCHJYFZSA-N 0 0 451.325 4.629 20 0 JJADRN COc1ccccc1N(C)C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001452986036 1067271091 /nfs/dbraw/zinc/27/10/91/1067271091.db2.gz ZCLWELSMTZIGLW-OAHLLOKOSA-N 0 0 452.473 4.601 20 0 JJADRN COCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(NC(=O)Nc4ccccc4)c3)ccc21 ZINC001459212033 1067271906 /nfs/dbraw/zinc/27/19/06/1067271906.db2.gz RMJKGNDOUABLEH-UHFFFAOYSA-N 0 0 458.518 4.774 20 0 JJADRN CCS(=O)(=O)c1ccc2oc(CSc3nc4cc(Br)ccc4o3)nc2c1 ZINC001459211172 1067271972 /nfs/dbraw/zinc/27/19/72/1067271972.db2.gz WBEXHBLZHINOMI-UHFFFAOYSA-N 0 0 453.339 4.817 20 0 JJADRN CC(C)[C@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001452995816 1067272139 /nfs/dbraw/zinc/27/21/39/1067272139.db2.gz AFKSPYOMTUXNOJ-KXBFYZLASA-N 0 0 458.430 4.827 20 0 JJADRN Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 ZINC001452995548 1067272187 /nfs/dbraw/zinc/27/21/87/1067272187.db2.gz HWNYXIIWJUWOQV-LJQANCHMSA-N 0 0 453.464 4.989 20 0 JJADRN O=C(c1c(Br)cccc1Br)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001459214556 1067272447 /nfs/dbraw/zinc/27/24/47/1067272447.db2.gz UJMTXVVHPTYEMG-UHFFFAOYSA-N 0 0 454.137 4.980 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)c2ocnc2C)cc1OC ZINC001459223409 1067272748 /nfs/dbraw/zinc/27/27/48/1067272748.db2.gz QUPYQNGQLSEETL-UHFFFAOYSA-N 0 0 452.898 4.818 20 0 JJADRN COC(=O)CC1(CC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)CCCC1 ZINC001459221855 1067272922 /nfs/dbraw/zinc/27/29/22/1067272922.db2.gz DDSUGRVTGSHZMT-HXUWFJFHSA-N 0 0 459.384 4.758 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001452998351 1067273279 /nfs/dbraw/zinc/27/32/79/1067273279.db2.gz MSKSGYNGMVUTGI-INIZCTEOSA-N 0 0 456.917 4.849 20 0 JJADRN CCCc1nc(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)nn1-c1ccccc1F ZINC001459225397 1067273340 /nfs/dbraw/zinc/27/33/40/1067273340.db2.gz IDHYFOOYKHPMPX-UHFFFAOYSA-N 0 0 458.541 4.667 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459227083 1067273783 /nfs/dbraw/zinc/27/37/83/1067273783.db2.gz NGYBRZLQYGFYEN-QMTMVMCOSA-N 0 0 458.402 4.583 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2C(F)(F)F)C1 ZINC001546107381 1067273868 /nfs/dbraw/zinc/27/38/68/1067273868.db2.gz KCNUAASLIRUHRO-UHFFFAOYSA-N 0 0 450.484 4.901 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC001459228248 1067273878 /nfs/dbraw/zinc/27/38/78/1067273878.db2.gz IDOFNZAHWFHOSR-RDJZCZTQSA-N 0 0 456.587 4.676 20 0 JJADRN C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[C@H]1CCO ZINC001453000258 1067273751 /nfs/dbraw/zinc/27/37/51/1067273751.db2.gz VEPQWJNADXHHLI-JXFKEZNVSA-N 0 0 459.612 4.704 20 0 JJADRN C[C@H](CC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1C(F)(F)F ZINC001453001204 1067273824 /nfs/dbraw/zinc/27/38/24/1067273824.db2.gz ULDYGEUDFODUFB-HIFRSBDPSA-N 0 0 458.402 4.835 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1F ZINC001453000006 1067273871 /nfs/dbraw/zinc/27/38/71/1067273871.db2.gz VFMVLHMWSFLICZ-JOCHJYFZSA-N 0 0 454.523 4.612 20 0 JJADRN C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[C@@H]1CCO ZINC001453000260 1067273894 /nfs/dbraw/zinc/27/38/94/1067273894.db2.gz VEPQWJNADXHHLI-OXJNMPFZSA-N 0 0 459.612 4.704 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)COc1c(Cl)cccc1Br ZINC001459229387 1067274245 /nfs/dbraw/zinc/27/42/45/1067274245.db2.gz HCVKCFYYAJHQFU-UHFFFAOYSA-N 0 0 453.583 4.964 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c(O)c1)c1cc(F)cc(F)c1 ZINC001453009299 1067274312 /nfs/dbraw/zinc/27/43/12/1067274312.db2.gz LGEORDOKHQEZFW-JOCHJYFZSA-N 0 0 452.457 4.935 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001453003470 1067274335 /nfs/dbraw/zinc/27/43/35/1067274335.db2.gz YJCSJKRCMGOWHD-QGZVFWFLSA-N 0 0 458.402 4.665 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)c2)c1 ZINC001453017022 1067274467 /nfs/dbraw/zinc/27/44/67/1067274467.db2.gz SQELZXJFWMQBPM-XMMPIXPASA-N 0 0 450.560 4.808 20 0 JJADRN O=C(Nc1sc2c(c1C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)CCC2)c1ccco1 ZINC001453028710 1067274866 /nfs/dbraw/zinc/27/48/66/1067274866.db2.gz DPIDMDNAWXMCCJ-MRXNPFEDSA-N 0 0 456.486 4.702 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1O ZINC001453036922 1067275566 /nfs/dbraw/zinc/27/55/66/1067275566.db2.gz UFOCZXZFMXEPBP-RCDICMHDSA-N 0 0 470.319 4.829 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC001453038153 1067275686 /nfs/dbraw/zinc/27/56/86/1067275686.db2.gz UQKFVWNCOJZPGD-VHKYSDTDSA-N 0 0 471.317 4.631 20 0 JJADRN C[C@@H](Sc1cccc(S(C)(=O)=O)c1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001459236200 1067275745 /nfs/dbraw/zinc/27/57/45/1067275745.db2.gz BTUWZHJTLYHHKE-MRXNPFEDSA-N 0 0 458.630 4.897 20 0 JJADRN Cc1cc(N2CCN(C(=O)CSc3nc(C4CCCCC4)cs3)CC2)nc(C(C)C)n1 ZINC001459238866 1067276026 /nfs/dbraw/zinc/27/60/26/1067276026.db2.gz NEQGZSMPASNWCD-UHFFFAOYSA-N 0 0 459.685 4.854 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC001459238835 1067276294 /nfs/dbraw/zinc/27/62/94/1067276294.db2.gz AJRHEIMAWOJLOK-HDICACEKSA-N 0 0 457.412 4.565 20 0 JJADRN C[C@@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001453072323 1067276529 /nfs/dbraw/zinc/27/65/29/1067276529.db2.gz KGYPLLZEWGUERF-LJQANCHMSA-N 0 0 450.579 4.975 20 0 JJADRN C[C@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001453072315 1067276732 /nfs/dbraw/zinc/27/67/32/1067276732.db2.gz KGYPLLZEWGUERF-IBGZPJMESA-N 0 0 450.579 4.975 20 0 JJADRN COc1cc(OC)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1Br ZINC001459243567 1067276839 /nfs/dbraw/zinc/27/68/39/1067276839.db2.gz QBHGATHMDIZRDL-UHFFFAOYSA-N 0 0 451.264 4.611 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CCCC1 ZINC001453074949 1067277294 /nfs/dbraw/zinc/27/72/94/1067277294.db2.gz OSIGEOQRDALGRX-UWJYYQICSA-N 0 0 451.405 4.680 20 0 JJADRN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C2 ZINC001453083790 1067278125 /nfs/dbraw/zinc/27/81/25/1067278125.db2.gz ULEIMGCYTSHEFA-XVYLIWCOSA-N 0 0 471.956 4.836 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC=C(Br)C2)O1 ZINC001546047622 1067278137 /nfs/dbraw/zinc/27/81/37/1067278137.db2.gz BBWZDJKGVIVKEL-UGKGYDQZSA-N 0 0 461.404 4.790 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(F)F)CC2)O1 ZINC001546047666 1067278158 /nfs/dbraw/zinc/27/81/58/1067278158.db2.gz BOCLTYLWFBUNDH-ZHRRBRCNSA-N 0 0 488.410 4.987 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3ccc(OCC(F)(F)F)nc3)c12 ZINC001459260337 1067278714 /nfs/dbraw/zinc/27/87/14/1067278714.db2.gz DUTWDCYBUSFWLM-UHFFFAOYSA-N 0 0 456.424 4.637 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](COCCOC)C2)O1 ZINC001546047712 1067278843 /nfs/dbraw/zinc/27/88/43/1067278843.db2.gz CIJMCTQZGMTCNQ-ROMRWMGNSA-N 0 0 481.012 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccnc(-c3ccccc3)c2N)C1 ZINC001453113416 1067279193 /nfs/dbraw/zinc/27/91/93/1067279193.db2.gz MJGKIWQUJQELAA-FYYLOGMGSA-N 0 0 472.589 4.854 20 0 JJADRN COCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c1C ZINC001459261586 1067279268 /nfs/dbraw/zinc/27/92/68/1067279268.db2.gz IUVWGOUGZUSHHB-UHFFFAOYSA-N 0 0 450.560 4.839 20 0 JJADRN CC[C@@H](C)CC[C@H](O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001453116792 1067279690 /nfs/dbraw/zinc/27/96/90/1067279690.db2.gz CUZVRKIBFROVDC-XBZUYWNMSA-N 0 0 480.621 4.621 20 0 JJADRN COc1ncc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c(C)c1Br ZINC001453115398 1067279711 /nfs/dbraw/zinc/27/97/11/1067279711.db2.gz CPGFSGDLTYHNKZ-UHFFFAOYSA-N 0 0 454.324 4.690 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cc1OC ZINC001459266199 1067279775 /nfs/dbraw/zinc/27/97/75/1067279775.db2.gz RZAYEMQVJDUQCP-OAHLLOKOSA-N 0 0 450.560 4.697 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CCCS(=O)(=O)c2ccccc2)C1 ZINC001546107608 1067279987 /nfs/dbraw/zinc/27/99/87/1067279987.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cccc4c3C(=O)OC4(C)C)CC2)C1 ZINC001453320590 1067297180 /nfs/dbraw/zinc/29/71/80/1067297180.db2.gz DQBIWXJDNITJEU-SFHVURJKSA-N 0 0 456.583 4.591 20 0 JJADRN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1n[nH]c2c1CCCCC2 ZINC001453325172 1067297227 /nfs/dbraw/zinc/29/72/27/1067297227.db2.gz KAAQICXKTMLFSX-UHFFFAOYSA-N 0 0 451.367 4.813 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)[nH]c(C)c1C(C)=O ZINC001453320514 1067297278 /nfs/dbraw/zinc/29/72/78/1067297278.db2.gz CWQDNLFPNYLECN-HXUWFJFHSA-N 0 0 459.631 4.978 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001459333092 1067297481 /nfs/dbraw/zinc/29/74/81/1067297481.db2.gz JURNTOKKPKGSAJ-QGZVFWFLSA-N 0 0 451.405 4.701 20 0 JJADRN Cn1cc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(-c2cccs2)n1 ZINC001453328832 1067297651 /nfs/dbraw/zinc/29/76/51/1067297651.db2.gz DEIKSHYBRAKNDB-SFHVURJKSA-N 0 0 458.628 4.648 20 0 JJADRN 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CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cc(F)cc(Br)c1C ZINC001459348758 1067300035 /nfs/dbraw/zinc/30/00/35/1067300035.db2.gz VGFXFEZZRZNFRC-OAQYLSRUSA-N 0 0 458.327 4.954 20 0 JJADRN CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)[C@H](C)C(=O)OC(C)(C)C ZINC001453357653 1067300585 /nfs/dbraw/zinc/30/05/85/1067300585.db2.gz NQXGIMHZHPVWOQ-OAHLLOKOSA-N 0 0 454.398 4.917 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1Cl ZINC001459351210 1067301263 /nfs/dbraw/zinc/30/12/63/1067301263.db2.gz CWOZVIPNSOTNNZ-IYBDPMFKSA-N 0 0 459.926 4.514 20 0 JJADRN C[C@]12CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)C[C@H]1C2(Br)Br ZINC001453370204 1067301520 /nfs/dbraw/zinc/30/15/20/1067301520.db2.gz PIDLTOOONLAGDN-ZBFHGGJFSA-N 0 0 460.597 4.718 20 0 JJADRN CN(CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459352661 1067301757 /nfs/dbraw/zinc/30/17/57/1067301757.db2.gz PIXVZPNBIDLFTO-MAUKXSAKSA-N 0 0 454.404 4.707 20 0 JJADRN O=C(Nc1ccc2c(c1)CN(C(=O)c1cc3ccccc3n1CC(F)(F)F)C2)C(F)(F)F 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CCOC(=O)N1CCC([C@@H](C)NC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)CC1 ZINC001459364339 1067303959 /nfs/dbraw/zinc/30/39/59/1067303959.db2.gz JZUPFBIJPXJXED-OAHLLOKOSA-N 0 0 456.974 4.661 20 0 JJADRN C[C@@H](CCC1CC1)NC(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001459364170 1067304020 /nfs/dbraw/zinc/30/40/20/1067304020.db2.gz UZYWDASFEUOQCB-NSHDSACASA-N 0 0 458.727 4.567 20 0 JJADRN Nc1c(Cl)c(F)cc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1Cl ZINC001453397641 1067304051 /nfs/dbraw/zinc/30/40/51/1067304051.db2.gz HYUDEJNPYFOWIN-GOSISDBHSA-N 0 0 458.320 4.842 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cc1csc(-c2cccnc2)n1 ZINC001453399768 1067304087 /nfs/dbraw/zinc/30/40/87/1067304087.db2.gz MKGXJFQIXNYRNT-GOSISDBHSA-N 0 0 458.381 4.882 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001453397148 1067304141 /nfs/dbraw/zinc/30/41/41/1067304141.db2.gz ISWQWDVRCRIAIB-SFHVURJKSA-N 0 0 458.584 4.587 20 0 JJADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1 ZINC001459366720 1067304515 /nfs/dbraw/zinc/30/45/15/1067304515.db2.gz QCRNSSBASYMFEA-GFCCVEGCSA-N 0 0 454.354 4.944 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)O1 ZINC001546050785 1067304852 /nfs/dbraw/zinc/30/48/52/1067304852.db2.gz BMUIWODALSMFPV-NMNUPHIUSA-N 0 0 481.563 4.526 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546051285 1067304974 /nfs/dbraw/zinc/30/49/74/1067304974.db2.gz IVNMZTYOQGXWGQ-LVXARBLLSA-N 0 0 453.631 4.893 20 0 JJADRN Cn1cc(-c2ncccc2C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cn1 ZINC001453418005 1067305260 /nfs/dbraw/zinc/30/52/60/1067305260.db2.gz LORPHSRHCUKSMT-UHFFFAOYSA-N 0 0 459.197 4.535 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001459370118 1067305346 /nfs/dbraw/zinc/30/53/46/1067305346.db2.gz YWOQKPHVZFXEBP-PNTFMKQHSA-N 0 0 450.579 4.742 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001459370995 1067305384 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459.306 4.716 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)nc1 ZINC001453438376 1067306769 /nfs/dbraw/zinc/30/67/69/1067306769.db2.gz WMMCHYNXFJLVKH-UHFFFAOYSA-N 0 0 451.592 4.515 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1OCCC ZINC001453458190 1067307148 /nfs/dbraw/zinc/30/71/48/1067307148.db2.gz BBJCGLLJJXUSFM-ZEQRLZLVSA-N 0 0 451.563 4.529 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)NCCCNC(=O)/C=C/c2ccccc2)n1 ZINC001459375782 1067307270 /nfs/dbraw/zinc/30/72/70/1067307270.db2.gz NSHKBNWIVYVTND-OUKQBFOZSA-N 0 0 451.617 4.693 20 0 JJADRN CC[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC001453468546 1067307255 /nfs/dbraw/zinc/30/72/55/1067307255.db2.gz RFCLCMQFZPPZLY-HSZRJFAPSA-N 0 0 450.604 4.615 20 0 JJADRN CC[C@@H](CCc1ccccc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O ZINC001453461760 1067307332 /nfs/dbraw/zinc/30/73/32/1067307332.db2.gz FCVZTGSEPHIVSG-NRFANRHFSA-N 0 0 456.542 4.638 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCc2sc(Br)cc2C1 ZINC001453475861 1067307605 /nfs/dbraw/zinc/30/76/05/1067307605.db2.gz DYLXRBNZTPRARL-UHFFFAOYSA-N 0 0 451.386 4.985 20 0 JJADRN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCc2sc(Br)cc2C1 ZINC001453476624 1067307739 /nfs/dbraw/zinc/30/77/39/1067307739.db2.gz HZQLJZUSFHXKBW-AWEZNQCLSA-N 0 0 457.802 4.552 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1NC(=O)N(C)C ZINC001459378905 1067307884 /nfs/dbraw/zinc/30/78/84/1067307884.db2.gz KMLKHLMBJLKHOF-UHFFFAOYSA-N 0 0 455.150 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001453479977 1067308104 /nfs/dbraw/zinc/30/81/04/1067308104.db2.gz RFBYGXLAZVDQJD-CQSZACIVSA-N 0 0 451.539 4.988 20 0 JJADRN O=C(c1cc(Cl)cc(F)c1Br)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001453481824 1067308399 /nfs/dbraw/zinc/30/83/99/1067308399.db2.gz ZRJRQOPJVPYAHW-HXUWFJFHSA-N 0 0 452.707 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1 ZINC001453480668 1067308581 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450.340 4.590 20 0 JJADRN CCOC(=O)CN(C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12)c1ccc(C)cc1 ZINC001459385179 1067309741 /nfs/dbraw/zinc/30/97/41/1067309741.db2.gz SLTGPGXUKNYPRZ-UHFFFAOYSA-N 0 0 456.546 4.770 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N(CCOC)[C@H]2CC[C@H](C)C2)O1 ZINC001546052047 1067309925 /nfs/dbraw/zinc/30/99/25/1067309925.db2.gz QYOMQGCHPHHJOK-KWALNSLNSA-N 0 0 456.631 4.943 20 0 JJADRN CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001453499447 1067310056 /nfs/dbraw/zinc/31/00/56/1067310056.db2.gz DEZXPMZCPALNDO-UHFFFAOYSA-N 0 0 454.502 4.530 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001453512345 1067310424 /nfs/dbraw/zinc/31/04/24/1067310424.db2.gz QREDACBWMBXOGN-PMVMPFDFSA-N 0 0 464.562 4.558 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)O1 ZINC001546052358 1067310704 /nfs/dbraw/zinc/31/07/04/1067310704.db2.gz WDIHBOGHGLRCDN-QFQXNSOFSA-N 0 0 453.631 4.975 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NCc2ccc(I)cc2Cl)c1 ZINC001459389596 1067310963 /nfs/dbraw/zinc/31/09/63/1067310963.db2.gz SNGKATZSKQODNN-ZDUSSCGKSA-N 0 0 457.739 4.838 20 0 JJADRN Cc1cncc(N(Cc2ccccc2Br)C(=O)[C@H](C)NC(=O)C2CCCCC2)c1 ZINC001459391407 1067311160 /nfs/dbraw/zinc/31/11/60/1067311160.db2.gz YTLBVSVFVTTYTJ-KRWDZBQOSA-N 0 0 458.400 4.771 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532289 1067311250 /nfs/dbraw/zinc/31/12/50/1067311250.db2.gz AUEFDPMJQMIDRI-JTHBVZDNSA-N 0 0 456.608 4.526 20 0 JJADRN Cc1cncc(N(Cc2ccccc2Br)C(=O)c2ccc(Cn3cccn3)o2)c1 ZINC001459391411 1067311394 /nfs/dbraw/zinc/31/13/94/1067311394.db2.gz YWTMEOQUNIPVEK-UHFFFAOYSA-N 0 0 451.324 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@H]1C(F)(F)F ZINC001453535815 1067311737 /nfs/dbraw/zinc/31/17/37/1067311737.db2.gz BNGHWEZNKOHJNK-UKRRQHHQSA-N 0 0 459.896 4.987 20 0 JJADRN O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001453535875 1067311776 /nfs/dbraw/zinc/31/17/76/1067311776.db2.gz LBJBIRZCUKKMQH-VQIMIIECSA-N 0 0 453.530 4.791 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC001453536601 1067312068 /nfs/dbraw/zinc/31/20/68/1067312068.db2.gz SOTIZNPSQSTDGB-FUHWJXTLSA-N 0 0 453.029 4.689 20 0 JJADRN COc1cc(Cl)ccc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453536463 1067312120 /nfs/dbraw/zinc/31/21/20/1067312120.db2.gz CKVNMIJSRDAVRV-DOMZBBRYSA-N 0 0 450.885 4.514 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCC([C@H]3CCCCO3)CC2)[C@H]1c1ccccc1OC ZINC001453537716 1067312177 /nfs/dbraw/zinc/31/21/77/1067312177.db2.gz YUQTVEMEGKLGBT-PPJWLVRDSA-N 0 0 456.627 4.583 20 0 JJADRN CC(C)COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001453542327 1067312304 /nfs/dbraw/zinc/31/23/04/1067312304.db2.gz KNSAYNSZKOENHQ-HKUYNNGSSA-N 0 0 458.521 4.887 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CC[C@@H]1C(F)(F)F ZINC001453541279 1067312515 /nfs/dbraw/zinc/31/25/15/1067312515.db2.gz JAZOEZZWFOSVPC-CVEARBPZSA-N 0 0 453.461 4.507 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)CN1CCO[C@@H](c2ccccc2Br)C1)c1cccs1 ZINC001459396646 1067312723 /nfs/dbraw/zinc/31/27/23/1067312723.db2.gz SPIBZAUXRYFKEP-XLIONFOSSA-N 0 0 451.430 4.788 20 0 JJADRN C[C@H](Cc1c(F)cccc1F)NC(=O)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC001459394922 1067312763 /nfs/dbraw/zinc/31/27/63/1067312763.db2.gz FNRAJLWBOAZJFQ-CYBMUJFWSA-N 0 0 455.318 4.578 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CC[C@H]1C(F)(F)F ZINC001453545030 1067312814 /nfs/dbraw/zinc/31/28/14/1067312814.db2.gz NVIMCONGVSQFON-CRAIPNDOSA-N 0 0 458.496 4.799 20 0 JJADRN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001453547890 1067313287 /nfs/dbraw/zinc/31/32/87/1067313287.db2.gz FMRDYFGKVVMRIJ-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCSCC(C)C)C1 ZINC001546108592 1067313614 /nfs/dbraw/zinc/31/36/14/1067313614.db2.gz GCRCLZGGVJCMRB-FQEVSTJZSA-N 0 0 495.734 4.992 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC001453551142 1067314057 /nfs/dbraw/zinc/31/40/57/1067314057.db2.gz WGPGBPZNZWHHQK-WCIQWLHISA-N 0 0 454.533 4.807 20 0 JJADRN Cc1ccc(CC(=O)N2CCN([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)CC2)cc1 ZINC001459404670 1067314351 /nfs/dbraw/zinc/31/43/51/1067314351.db2.gz HGYSGEUUEIKIFX-INIZCTEOSA-N 0 0 459.377 4.800 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453574946 1067315191 /nfs/dbraw/zinc/31/51/91/1067315191.db2.gz DJBSGKWDXDYRFP-JRGCBEDISA-N 0 0 458.986 4.935 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)CSC(=S)N2CCC(C)CC2)c(OC)c1 ZINC001459410008 1067315499 /nfs/dbraw/zinc/31/54/99/1067315499.db2.gz RYPPUOZOPNYMGQ-UHFFFAOYSA-N 0 0 450.670 4.583 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)CCc2ccc(C)cc2Br)[C@@H](C)C1 ZINC001459409923 1067315725 /nfs/dbraw/zinc/31/57/25/1067315725.db2.gz GUBNOXDLSSVNIH-IBGZPJMESA-N 0 0 459.428 4.822 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1 ZINC001453579747 1067315850 /nfs/dbraw/zinc/31/58/50/1067315850.db2.gz HEUQGCWWJFOWDO-LNRXMEIDSA-N 0 0 487.641 4.589 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)cc21 ZINC001453580790 1067316081 /nfs/dbraw/zinc/31/60/81/1067316081.db2.gz LFSSSQFXJHWSCX-KGLIPLIRSA-N 0 0 480.403 4.704 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C)CCC(=O)N1c1ccc(C)cc1 ZINC001459411104 1067316208 /nfs/dbraw/zinc/31/62/08/1067316208.db2.gz XHTZDMYYPNMSIO-PAGNRNNLSA-N 0 0 450.579 4.514 20 0 JJADRN Cc1nc(C2CCC2)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453583290 1067316750 /nfs/dbraw/zinc/31/67/50/1067316750.db2.gz XWHVHJZOQSQXBE-VQTJNVASSA-N 0 0 455.624 4.781 20 0 JJADRN O=C(C(c1ccccc1)c1ccccc1)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453599412 1067317020 /nfs/dbraw/zinc/31/70/20/1067317020.db2.gz DOGFQFBKMGLGFP-JOCHJYFZSA-N 0 0 458.524 4.858 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412937 1067317009 /nfs/dbraw/zinc/31/70/09/1067317009.db2.gz CLXZBGFFHVXNJX-KDOFPFPSSA-N 0 0 455.393 4.503 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1OC ZINC001453589391 1067317204 /nfs/dbraw/zinc/31/72/04/1067317204.db2.gz MWMPJTQVPZJUKM-UYAOXDASSA-N 0 0 476.614 4.599 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1OC ZINC001459413038 1067317084 /nfs/dbraw/zinc/31/70/84/1067317084.db2.gz BKXVWCWTHTWNTA-UHFFFAOYSA-N 0 0 454.958 4.913 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccccc3C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)O1 ZINC001546053398 1067317788 /nfs/dbraw/zinc/31/77/88/1067317788.db2.gz AGDNNELKZDHIDE-MBEZDYHHSA-N 0 0 481.685 4.514 20 0 JJADRN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001459413767 1067317865 /nfs/dbraw/zinc/31/78/65/1067317865.db2.gz GUGYBYBKWKIISL-HXUWFJFHSA-N 0 0 451.592 4.563 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@@H](C)C1 ZINC001459415119 1067318469 /nfs/dbraw/zinc/31/84/69/1067318469.db2.gz SENUENYMTNWASC-KRWDZBQOSA-N 0 0 459.512 4.942 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)CCN1C(=O)OC(C)(C)C ZINC001453606974 1067318509 /nfs/dbraw/zinc/31/85/09/1067318509.db2.gz MNUQBFVKDNFVQV-RBUKOAKNSA-N 0 0 475.973 4.624 20 0 JJADRN CC(C)[C@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC001459416852 1067318794 /nfs/dbraw/zinc/31/87/94/1067318794.db2.gz SNDVUJYUHFEVAY-VWLOTQADSA-N 0 0 456.652 4.970 20 0 JJADRN O=C(Nc1ccccc1)N1CC[C@@H](NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC001459418860 1067320044 /nfs/dbraw/zinc/32/00/44/1067320044.db2.gz WVSRMUKREGEHLK-MRXNPFEDSA-N 0 0 451.876 4.813 20 0 JJADRN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001453637177 1067320098 /nfs/dbraw/zinc/32/00/98/1067320098.db2.gz FMPZNTQNRSOFBI-UHFFFAOYSA-N 0 0 457.876 4.958 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1C ZINC001453641376 1067320474 /nfs/dbraw/zinc/32/04/74/1067320474.db2.gz LYZLVDPKJKHVMX-UHFFFAOYSA-N 0 0 450.551 4.536 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001453643371 1067320533 /nfs/dbraw/zinc/32/05/33/1067320533.db2.gz QKHRZWHYGPRJRZ-NRFANRHFSA-N 0 0 456.951 4.572 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC001459420661 1067320565 /nfs/dbraw/zinc/32/05/65/1067320565.db2.gz UAFVKWVASIKDGT-PKTZIBPZSA-N 0 0 457.618 4.573 20 0 JJADRN CCCOc1ccc(C(C)(C)NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 ZINC001459422304 1067320766 /nfs/dbraw/zinc/32/07/66/1067320766.db2.gz YCRGKSAWSVVQAI-UHFFFAOYSA-N 0 0 455.555 4.917 20 0 JJADRN CC(C)Cn1nc(C(=O)Oc2cc(F)c(Cl)cc2Br)c2ccccc2c1=O ZINC001459422197 1067321130 /nfs/dbraw/zinc/32/11/30/1067321130.db2.gz XLXMQVFALAAFFU-UHFFFAOYSA-N 0 0 453.695 4.827 20 0 JJADRN COCCCCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(Br)cn1 ZINC001459423369 1067321239 /nfs/dbraw/zinc/32/12/39/1067321239.db2.gz ADOSZKXXZWYZIF-UHFFFAOYSA-N 0 0 451.123 4.758 20 0 JJADRN COCCCCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccc(Br)cn1 ZINC001459423401 1067321261 /nfs/dbraw/zinc/32/12/61/1067321261.db2.gz ASLLIESQEZZQAB-HNNXBMFYSA-N 0 0 453.402 4.793 20 0 JJADRN COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c2ccccc12 ZINC001453672953 1067321428 /nfs/dbraw/zinc/32/14/28/1067321428.db2.gz WVEACRAVHSYXCG-DYESRHJHSA-N 0 0 456.464 4.525 20 0 JJADRN CCCCOc1cccc(CNC(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001459424082 1067321646 /nfs/dbraw/zinc/32/16/46/1067321646.db2.gz GQHSFAWYPCWBAG-JOCHJYFZSA-N 0 0 451.394 4.862 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCC(c2ccon2)CC1)c1ccccc1Br ZINC001453685036 1067321895 /nfs/dbraw/zinc/32/18/95/1067321895.db2.gz ZOYAFWQFFZCUBC-UHFFFAOYSA-N 0 0 454.324 4.709 20 0 JJADRN Cc1ccn2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3cccc(Cl)c3)c2c1 ZINC001459425116 1067322616 /nfs/dbraw/zinc/32/26/16/1067322616.db2.gz IUMKVPIITUNVGY-HXUWFJFHSA-N 0 0 454.958 4.730 20 0 JJADRN COCCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccc(Br)cn1 ZINC001459425143 1067322660 /nfs/dbraw/zinc/32/26/60/1067322660.db2.gz IJZGJXKCAGBSBX-UHFFFAOYSA-N 0 0 457.372 4.720 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453687064 1067322864 /nfs/dbraw/zinc/32/28/64/1067322864.db2.gz YXFNMCONAWZFHD-IFMALSPDSA-N 0 0 470.491 4.541 20 0 JJADRN CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc(C(F)(F)F)c1 ZINC001459426885 1067323061 /nfs/dbraw/zinc/32/30/61/1067323061.db2.gz QUECRPHCTVRVQG-UHFFFAOYSA-N 0 0 459.827 4.545 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1)c1cccs1 ZINC001459428777 1067323418 /nfs/dbraw/zinc/32/34/18/1067323418.db2.gz VUIKNTSEIHDLBH-UHFFFAOYSA-N 0 0 459.930 4.882 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCCC2)O1 ZINC001546053991 1067323693 /nfs/dbraw/zinc/32/36/93/1067323693.db2.gz HVNNPUQVZZCBMH-ISJBWFOZSA-N 0 0 491.677 4.705 20 0 JJADRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001459429597 1067323911 /nfs/dbraw/zinc/32/39/11/1067323911.db2.gz ULYPXSWOWQJPAV-PELKAZGASA-N 0 0 452.782 4.575 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001453712394 1067324041 /nfs/dbraw/zinc/32/40/41/1067324041.db2.gz QGXHDKXCTIOJGM-JTSKRJEESA-N 0 0 453.366 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001453712392 1067324121 /nfs/dbraw/zinc/32/41/21/1067324121.db2.gz QGXHDKXCTIOJGM-HTAPYJJXSA-N 0 0 453.366 4.583 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)c2)n1 ZINC001453713532 1067324283 /nfs/dbraw/zinc/32/42/83/1067324283.db2.gz CJFJIIUAAXJFPL-RTBURBONSA-N 0 0 477.968 4.568 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(OC)c(OC)cc2C)O1 ZINC001546054366 1067324871 /nfs/dbraw/zinc/32/48/71/1067324871.db2.gz NEXOPWPTOJXQAR-CUNXSJBXSA-N 0 0 479.625 4.574 20 0 JJADRN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001453738098 1067325071 /nfs/dbraw/zinc/32/50/71/1067325071.db2.gz MOGYGHFWXBGCQG-XMMPIXPASA-N 0 0 452.595 4.912 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC001459440114 1067325527 /nfs/dbraw/zinc/32/55/27/1067325527.db2.gz SBHBYIYADVEMJY-UHFFFAOYSA-N 0 0 451.901 4.839 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC001546054427 1067325604 /nfs/dbraw/zinc/32/56/04/1067325604.db2.gz NVGJZCNNBBYNNM-WXVAWEFUSA-N 0 0 467.658 4.743 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1cccc2c1CCCC2 ZINC001453740106 1067325691 /nfs/dbraw/zinc/32/56/91/1067325691.db2.gz QKJJIDMNPKQJCZ-UHFFFAOYSA-N 0 0 456.384 4.754 20 0 JJADRN CON(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001453739691 1067325743 /nfs/dbraw/zinc/32/57/43/1067325743.db2.gz MJYLWLCTAFEFNS-ZTNFWEORSA-N 0 0 450.457 4.861 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)n2)c(C)c1 ZINC001459450171 1067326468 /nfs/dbraw/zinc/32/64/68/1067326468.db2.gz RTMZJWBXPVLKSF-SFHVURJKSA-N 0 0 458.628 4.615 20 0 JJADRN Cc1cc(=O)[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)cc12 ZINC001453745952 1067326728 /nfs/dbraw/zinc/32/67/28/1067326728.db2.gz LKZPLCCIAXURTL-UZUQRXQVSA-N 0 0 455.917 4.978 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)O1 ZINC001546054482 1067326757 /nfs/dbraw/zinc/32/67/57/1067326757.db2.gz OUGPGQOYCVMRRR-RDGATRHJSA-N 0 0 454.018 4.944 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(F)cccc3OC)CC2)O1 ZINC001546054596 1067327155 /nfs/dbraw/zinc/32/71/55/1067327155.db2.gz PLWIYQBMKJRYGQ-AFMDSPMNSA-N 0 0 473.637 4.689 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC001453749006 1067327209 /nfs/dbraw/zinc/32/72/09/1067327209.db2.gz SALOCVUXWGCEIR-CTDFXDFQSA-N 0 0 453.365 4.711 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC001459453851 1067327722 /nfs/dbraw/zinc/32/77/22/1067327722.db2.gz SQXGJCHJHQVODH-FQEVSTJZSA-N 0 0 455.942 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cn2)C1 ZINC001453765820 1067328099 /nfs/dbraw/zinc/32/80/99/1067328099.db2.gz UNSXJUFBBCWVKZ-HNNXBMFYSA-N 0 0 456.440 4.865 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1ccc(F)cc1F ZINC001453769709 1067328400 /nfs/dbraw/zinc/32/84/00/1067328400.db2.gz LGMOYDTVTBOWFB-QZTJIDSGSA-N 0 0 454.420 4.956 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1)c1ccc(F)cc1F ZINC001453769715 1067328476 /nfs/dbraw/zinc/32/84/76/1067328476.db2.gz LGMOYDTVTBOWFB-ZWKOTPCHSA-N 0 0 454.420 4.956 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cn1)c1ccc(Br)cc1 ZINC001453774353 1067328809 /nfs/dbraw/zinc/32/88/09/1067328809.db2.gz RHTDVRDHAMXXMK-HXUWFJFHSA-N 0 0 453.340 4.794 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001453772587 1067328982 /nfs/dbraw/zinc/32/89/82/1067328982.db2.gz OYPQRTLUOBDZGV-SOKVYYICSA-N 0 0 458.324 4.762 20 0 JJADRN Cc1ccccc1-n1cc(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)nn1 ZINC001459459171 1067328916 /nfs/dbraw/zinc/32/89/16/1067328916.db2.gz FDQXIUXYFUMZAJ-UHFFFAOYSA-N 0 0 456.289 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)C(C)(C)C1 ZINC001453777161 1067329496 /nfs/dbraw/zinc/32/94/96/1067329496.db2.gz XWYDJUWNNAZFIL-AWEZNQCLSA-N 0 0 452.477 4.927 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1O)NC(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C ZINC001453786830 1067329692 /nfs/dbraw/zinc/32/96/92/1067329692.db2.gz NBAYAOLDADNXBG-SEQHPCDTSA-N 0 0 462.373 4.798 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2)c1 ZINC001453811454 1067330075 /nfs/dbraw/zinc/33/00/75/1067330075.db2.gz JDBZBMGLLGDEDA-SFHVURJKSA-N 0 0 450.560 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)[C@H](c2cccc(F)c2)C1 ZINC001459462248 1067330096 /nfs/dbraw/zinc/33/00/96/1067330096.db2.gz FQTSOXAJQISNNS-QHCPKHFHSA-N 0 0 453.558 4.860 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)O1 ZINC001546055048 1067330214 /nfs/dbraw/zinc/33/02/14/1067330214.db2.gz WLYIAJCCTJKICF-SBQVMTCPSA-N 0 0 473.706 4.689 20 0 JJADRN CCSCCCNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001459463500 1067330309 /nfs/dbraw/zinc/33/03/09/1067330309.db2.gz YOZRQXYQNOWOLG-IBGZPJMESA-N 0 0 452.620 4.907 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCSC2)O1 ZINC001546055173 1067330465 /nfs/dbraw/zinc/33/04/65/1067330465.db2.gz XRXMVFCCKYVKIZ-ZYLNGJIFSA-N 0 0 493.718 4.682 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC001546055205 1067330480 /nfs/dbraw/zinc/33/04/80/1067330480.db2.gz YCLXGPBKZNEQKF-LXFBAYGMSA-N 0 0 499.675 4.635 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC001453820345 1067330697 /nfs/dbraw/zinc/33/06/97/1067330697.db2.gz OREVOTUJDXPJTG-VXKWHMMOSA-N 0 0 459.876 4.680 20 0 JJADRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC001459464373 1067330855 /nfs/dbraw/zinc/33/08/55/1067330855.db2.gz CJJFJGCSCNQHHV-UHFFFAOYSA-N 0 0 454.979 4.997 20 0 JJADRN CC(C)(C)c1cc(NC(=O)CN2CCO[C@H](c3ccccc3Cl)C2)n(-c2ccccc2)n1 ZINC001459464815 1067330899 /nfs/dbraw/zinc/33/08/99/1067330899.db2.gz LDUHGROPMIHMTD-NRFANRHFSA-N 0 0 452.986 4.835 20 0 JJADRN CC(C)(C)c1cc(NC(=O)CN2CCO[C@@H](c3ccccc3Cl)C2)n(-c2ccccc2)n1 ZINC001459464818 1067330959 /nfs/dbraw/zinc/33/09/59/1067330959.db2.gz LDUHGROPMIHMTD-OAQYLSRUSA-N 0 0 452.986 4.835 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(CCOc3ccccc3Cl)CC2)O1 ZINC001546055213 1067330985 /nfs/dbraw/zinc/33/09/85/1067330985.db2.gz YCUTVFDWXCGYNP-LVXARBLLSA-N 0 0 490.092 4.679 20 0 JJADRN CS(=O)(=O)c1cccc(OCCN(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001459466258 1067331218 /nfs/dbraw/zinc/33/12/18/1067331218.db2.gz KULKILBRTUILBC-UHFFFAOYSA-N 0 0 457.514 4.812 20 0 JJADRN CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2ccc(Br)c(Cl)c2)C1 ZINC001453830127 1067331298 /nfs/dbraw/zinc/33/12/98/1067331298.db2.gz JOUDAVRZBZOBLH-UHFFFAOYSA-N 0 0 450.695 4.705 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc(I)ccc1C ZINC001459466206 1067331553 /nfs/dbraw/zinc/33/15/53/1067331553.db2.gz QOYBROKZUBWBEQ-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(C(F)(F)F)cc1 ZINC001459465837 1067331616 /nfs/dbraw/zinc/33/16/16/1067331616.db2.gz QHDDLLHFPQFEFZ-UHFFFAOYSA-N 0 0 459.394 4.764 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1cc(Br)cc(N)c1N ZINC001453823985 1067331568 /nfs/dbraw/zinc/33/15/68/1067331568.db2.gz QVIJHCUYOUUNBT-IBGZPJMESA-N 0 0 456.306 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)[C@@H](c2cccc(F)c2)C1 ZINC001459466561 1067332018 /nfs/dbraw/zinc/33/20/18/1067332018.db2.gz OPDQDXDCOQWHJR-MRXNPFEDSA-N 0 0 454.329 4.962 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC([C@H](O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC001459468564 1067332311 /nfs/dbraw/zinc/33/23/11/1067332311.db2.gz RHIHASUSQFULSS-RUZDIDTESA-N 0 0 453.583 4.717 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCc2ccsc2Br)C1 ZINC001459467642 1067332331 /nfs/dbraw/zinc/33/23/31/1067332331.db2.gz LFRHPLCZUCNTQZ-UHFFFAOYSA-N 0 0 451.386 4.734 20 0 JJADRN CN(CCOc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1ccc(Br)cn1 ZINC001459469239 1067332769 /nfs/dbraw/zinc/33/27/69/1067332769.db2.gz PSDVRAWEDILVFG-UHFFFAOYSA-N 0 0 456.340 4.586 20 0 JJADRN CC(C)C[C@H](CNC(=O)Cc1c[nH]c2ccc(Br)cc12)CC(=O)OC(C)(C)C ZINC001453870790 1067332815 /nfs/dbraw/zinc/33/28/15/1067332815.db2.gz OPFDKSPDXWBYKI-HNNXBMFYSA-N 0 0 451.405 4.983 20 0 JJADRN CC(C)[C@@H](CCNC(=O)c1cccc(COc2cccc(C=O)c2)c1)NC(=O)OC(C)(C)C ZINC001453864396 1067332876 /nfs/dbraw/zinc/33/28/76/1067332876.db2.gz OXBCCKRHKNINRG-HSZRJFAPSA-N 0 0 454.567 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OC(C)(C)C)n2)[C@@H](c2cccc(F)c2)C1 ZINC001459470289 1067332927 /nfs/dbraw/zinc/33/29/27/1067332927.db2.gz VJMVTTNLPSQLIE-HXUWFJFHSA-N 0 0 457.546 4.832 20 0 JJADRN CC(C)[C@@H](CCNC(=O)Cc1c[nH]c2cc(Br)ccc12)NC(=O)OC(C)(C)C ZINC001453875296 1067333119 /nfs/dbraw/zinc/33/31/19/1067333119.db2.gz VOHKQRNBEGSLNI-QGZVFWFLSA-N 0 0 452.393 4.529 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C[C@H](CC(F)(F)F)O1 ZINC001453894486 1067334458 /nfs/dbraw/zinc/33/44/58/1067334458.db2.gz GYHZOBIGBHUBGC-JQWIXIFHSA-N 0 0 453.244 4.742 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C[C@@H](CC(F)(F)F)O1 ZINC001453894491 1067334493 /nfs/dbraw/zinc/33/44/93/1067334493.db2.gz GYHZOBIGBHUBGC-ZYHUDNBSSA-N 0 0 453.244 4.742 20 0 JJADRN COc1cc(NCCNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)cc(OC)c1 ZINC001546055954 1067334929 /nfs/dbraw/zinc/33/49/29/1067334929.db2.gz WORXRMKHWWTYBF-UHFFFAOYSA-N 0 0 454.958 4.571 20 0 JJADRN CNC(=O)CC1(CNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)CCCCC1 ZINC001453905849 1067334956 /nfs/dbraw/zinc/33/49/56/1067334956.db2.gz IQQYITFWTTWZMU-UHFFFAOYSA-N 0 0 459.015 4.865 20 0 JJADRN CC(C)(C)c1nnc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)s1 ZINC001459476381 1067335005 /nfs/dbraw/zinc/33/50/05/1067335005.db2.gz GGSOFJWRYSJCFL-UHFFFAOYSA-N 0 0 455.923 4.647 20 0 JJADRN O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001459478607 1067335294 /nfs/dbraw/zinc/33/52/94/1067335294.db2.gz QRMZHGLBGKEIJG-FQEVSTJZSA-N 0 0 454.313 4.981 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC001459480142 1067335673 /nfs/dbraw/zinc/33/56/73/1067335673.db2.gz JMQZZHXLWWJYMD-QFIPXVFZSA-N 0 0 453.583 4.713 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001459481427 1067336110 /nfs/dbraw/zinc/33/61/10/1067336110.db2.gz SOTMUUMYJXLPSR-DACFSCGWSA-N 0 0 453.542 4.756 20 0 JJADRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC001459484179 1067336409 /nfs/dbraw/zinc/33/64/09/1067336409.db2.gz LROXGJARCJAJFP-INIZCTEOSA-N 0 0 451.792 4.523 20 0 JJADRN COc1ccc(CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C)cc1 ZINC001459491697 1067337666 /nfs/dbraw/zinc/33/76/66/1067337666.db2.gz QQLOJLNAXJFVEH-UHFFFAOYSA-N 0 0 456.608 4.845 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001459493608 1067337836 /nfs/dbraw/zinc/33/78/36/1067337836.db2.gz XDYOPTSGJHZHGD-CQSZACIVSA-N 0 0 459.406 4.894 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001459493604 1067337889 /nfs/dbraw/zinc/33/78/89/1067337889.db2.gz XDYOPTSGJHZHGD-AWEZNQCLSA-N 0 0 459.406 4.894 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1 ZINC001459493420 1067338022 /nfs/dbraw/zinc/33/80/22/1067338022.db2.gz WQPMHDSJEOUNFU-YLJYHZDGSA-N 0 0 459.974 4.631 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001459491843 1067338059 /nfs/dbraw/zinc/33/80/59/1067338059.db2.gz WHNDZKWAKOCKLZ-OTYXRUKQSA-N 0 0 453.358 4.928 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c(OC)c1 ZINC001459507654 1067340505 /nfs/dbraw/zinc/34/05/05/1067340505.db2.gz INPKUAXJAMOPRT-UHFFFAOYSA-N 0 0 452.530 4.599 20 0 JJADRN COc1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)ccc1OCC(=O)NC(C)C ZINC001459507151 1067340523 /nfs/dbraw/zinc/34/05/23/1067340523.db2.gz FVECQBRKZALVAW-UHFFFAOYSA-N 0 0 459.955 4.628 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC001459507636 1067340583 /nfs/dbraw/zinc/34/05/83/1067340583.db2.gz IFSYRGFHYVXXJL-IBGZPJMESA-N 0 0 456.930 4.770 20 0 JJADRN Cc1sc2ncn(CCC(=O)Oc3cc(F)c(Br)cc3Cl)c(=O)c2c1C ZINC001459511200 1067341548 /nfs/dbraw/zinc/34/15/48/1067341548.db2.gz KDEQOKYMZBULOY-UHFFFAOYSA-N 0 0 459.724 4.626 20 0 JJADRN COc1ccc(/C=C(\C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)c2cccs2)cc1 ZINC001459512753 1067342010 /nfs/dbraw/zinc/34/20/10/1067342010.db2.gz OGIHAWFSECWSON-PGMHBOJBSA-N 0 0 452.551 4.794 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1 ZINC001459513440 1067342342 /nfs/dbraw/zinc/34/23/42/1067342342.db2.gz YKVGGGRQFHKLAB-LJQANCHMSA-N 0 0 453.583 4.629 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1C[C@@H](C)O[C@@H](CC)C1 ZINC001459514537 1067342700 /nfs/dbraw/zinc/34/27/00/1067342700.db2.gz QKKBDDLZNKPVPW-PBHICJAKSA-N 0 0 450.988 4.683 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CN(C)CC[C@@H](C)O ZINC001459518751 1067343377 /nfs/dbraw/zinc/34/33/77/1067343377.db2.gz NQJCIPFIJDUREI-GFCCVEGCSA-N 0 0 459.395 4.540 20 0 JJADRN COc1cc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c(OC)c(C)c1OC ZINC001459520925 1067343569 /nfs/dbraw/zinc/34/35/69/1067343569.db2.gz NUWRURXLGATTSF-UHFFFAOYSA-N 0 0 457.958 4.966 20 0 JJADRN Cc1c2ccccc2sc1C(=O)N1CCN(C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001459522082 1067343941 /nfs/dbraw/zinc/34/39/41/1067343941.db2.gz BKXQDHOGYFRUAR-RBUKOAKNSA-N 0 0 457.640 4.661 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)Nc1cccc(Br)c1Cl ZINC001459521191 1067343959 /nfs/dbraw/zinc/34/39/59/1067343959.db2.gz FNFAYLWFEDFSQC-SECBINFHSA-N 0 0 458.537 4.930 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC001459526177 1067344546 /nfs/dbraw/zinc/34/45/46/1067344546.db2.gz ONDKNJKFHNDXAZ-HXUWFJFHSA-N 0 0 452.839 4.959 20 0 JJADRN COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)nc1Br ZINC001459525847 1067344769 /nfs/dbraw/zinc/34/47/69/1067344769.db2.gz KTNPCSHYKAPOFN-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN COc1ccc(CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)[C@H](C)C2CC2)c(OC)c1 ZINC001459527889 1067345002 /nfs/dbraw/zinc/34/50/02/1067345002.db2.gz KXNOTTGBWYLCGL-GOSISDBHSA-N 0 0 453.608 4.938 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)Cc1cc(Br)cc2cccnc21 ZINC001459527820 1067345040 /nfs/dbraw/zinc/34/50/40/1067345040.db2.gz NESWEDUNDGVQCD-UHFFFAOYSA-N 0 0 451.267 4.959 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001459526554 1067345106 /nfs/dbraw/zinc/34/51/06/1067345106.db2.gz LVHQWWGDDUVYHH-NRFANRHFSA-N 0 0 459.384 4.989 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCc1ccncc1OCC(F)(F)F ZINC001459527267 1067345166 /nfs/dbraw/zinc/34/51/66/1067345166.db2.gz IPZCBBVDDHZCCU-IRXDYDNUSA-N 0 0 459.509 4.503 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3ccc(Br)c4cccnc34)c21 ZINC001459530700 1067346372 /nfs/dbraw/zinc/34/63/72/1067346372.db2.gz UHBQYCJDVKCXLQ-UHFFFAOYSA-N 0 0 450.218 4.550 20 0 JJADRN CS(=O)(=O)c1cc(Br)cc(C(=O)Nc2ccc(-c3ccco3)cc2F)c1F ZINC001459534039 1067346741 /nfs/dbraw/zinc/34/67/41/1067346741.db2.gz WFDYUGFEVXDLMW-UHFFFAOYSA-N 0 0 456.264 4.643 20 0 JJADRN O=C(Nc1cccc(Br)c1Cl)c1occc1CS(=O)(=O)c1ccccc1 ZINC001459535344 1067347504 /nfs/dbraw/zinc/34/75/04/1067347504.db2.gz WTEZDOAUBRXODH-UHFFFAOYSA-N 0 0 454.729 4.922 20 0 JJADRN O=C(CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459540095 1067347876 /nfs/dbraw/zinc/34/78/76/1067347876.db2.gz IWFUPLPNJSUVJO-SFHVURJKSA-N 0 0 455.530 4.546 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(C)c1Br ZINC001459549340 1067348894 /nfs/dbraw/zinc/34/88/94/1067348894.db2.gz NBGPXBSPVGEWBO-UHFFFAOYSA-N 0 0 458.183 4.843 20 0 JJADRN Cc1cccc(OC[C@@H](O)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C(C)C)c1 ZINC001459548027 1067348904 /nfs/dbraw/zinc/34/89/04/1067348904.db2.gz GPRDGRVSKCMZGY-VWLOTQADSA-N 0 0 458.602 4.909 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001459551425 1067349078 /nfs/dbraw/zinc/34/90/78/1067349078.db2.gz QVRVXTMKUMRLMG-GOSISDBHSA-N 0 0 458.603 4.728 20 0 JJADRN O=C(Nc1ccc(OC(F)F)cc1F)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC001459552792 1067349335 /nfs/dbraw/zinc/34/93/35/1067349335.db2.gz FQQDLFYAELVEKK-LDADJPATSA-N 0 0 457.437 4.779 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)N1CCc2cc(F)ccc21 ZINC001459554959 1067349651 /nfs/dbraw/zinc/34/96/51/1067349651.db2.gz NAVHSLDYJCZABD-UHFFFAOYSA-N 0 0 453.311 4.972 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)Nc2ccc(OC(F)F)cc2F)(c2ccccc2)C1 ZINC001459553146 1067349955 /nfs/dbraw/zinc/34/99/55/1067349955.db2.gz JCPRQMIPDOBWPG-CWSKOGRWSA-N 0 0 450.457 4.991 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)nnc1-c1cccc(C)c1 ZINC001459562056 1067351731 /nfs/dbraw/zinc/35/17/31/1067351731.db2.gz GAKNPIXFNKLVKH-LBPRGKRZSA-N 0 0 455.531 4.718 20 0 JJADRN Cc1nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)nn1-c1c(Cl)cccc1Cl ZINC001459562086 1067351889 /nfs/dbraw/zinc/35/18/89/1067351889.db2.gz GNEDPONJWRUPNC-SSDOTTSWSA-N 0 0 450.273 4.849 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c1 ZINC001459561761 1067351917 /nfs/dbraw/zinc/35/19/17/1067351917.db2.gz XSDKMKSQICIVIL-UHFFFAOYSA-N 0 0 456.749 4.834 20 0 JJADRN COC(=O)[C@H](c1ccccc1Br)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001459564160 1067352695 /nfs/dbraw/zinc/35/26/95/1067352695.db2.gz KPSFAVDKOVUBMW-ROUUACIJSA-N 0 0 457.409 4.534 20 0 JJADRN C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)[C@@H](c2ccco2)C1 ZINC001459564952 1067352833 /nfs/dbraw/zinc/35/28/33/1067352833.db2.gz QGVJWJSGRRKXSL-VGOFRKELSA-N 0 0 456.539 4.663 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cs1 ZINC001459571280 1067354796 /nfs/dbraw/zinc/35/47/96/1067354796.db2.gz JSVZGQXOWXHDFL-UHFFFAOYSA-N 0 0 453.967 4.922 20 0 JJADRN Cc1c(C(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)oc2c1c(C)ccc2C ZINC001459570897 1067354995 /nfs/dbraw/zinc/35/49/95/1067354995.db2.gz PGNXZELJOKTERV-UHFFFAOYSA-N 0 0 453.340 4.973 20 0 JJADRN Cc1c(NC(=O)c2cnc(-c3ccccc3Br)s2)cccc1N1CCNC1=O ZINC001459573017 1067355350 /nfs/dbraw/zinc/35/53/50/1067355350.db2.gz MXMGKTUNWQMPGU-UHFFFAOYSA-N 0 0 457.353 4.663 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001459576343 1067355653 /nfs/dbraw/zinc/35/56/53/1067355653.db2.gz KKHJJCAWWRGOJU-HXUWFJFHSA-N 0 0 455.396 4.665 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC001459575299 1067355761 /nfs/dbraw/zinc/35/57/61/1067355761.db2.gz VNVUVRKWSMOTQI-KRWDZBQOSA-N 0 0 451.748 4.581 20 0 JJADRN C[C@@H]1CN(CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)[C@H](c2ccccc2)CO1 ZINC001459583752 1067356965 /nfs/dbraw/zinc/35/69/65/1067356965.db2.gz WDSYDBHOQRGHDE-FRPAHBMMSA-N 0 0 454.998 4.599 20 0 JJADRN Cc1sc(NC(=O)CCCc2nc(C(C)(C)C)no2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001459583477 1067357198 /nfs/dbraw/zinc/35/71/98/1067357198.db2.gz MURWRYBCDPYRCF-UHFFFAOYSA-N 0 0 453.568 4.645 20 0 JJADRN O=C(CN1CCCN(C(=O)Oc2ccccc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001459587226 1067357775 /nfs/dbraw/zinc/35/77/75/1067357775.db2.gz HDOYJXYCLFODMG-UHFFFAOYSA-N 0 0 456.757 4.792 20 0 JJADRN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1OC(F)F ZINC001459587477 1067357815 /nfs/dbraw/zinc/35/78/15/1067357815.db2.gz VTORMZQLQPFEQA-UHFFFAOYSA-N 0 0 459.474 4.866 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c(Br)c1 ZINC001459588511 1067358316 /nfs/dbraw/zinc/35/83/16/1067358316.db2.gz YDRGRQJBNPCQEA-MAUKXSAKSA-N 0 0 453.174 4.825 20 0 JJADRN CC(C)[C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccc(F)cc1 ZINC001459590477 1067358532 /nfs/dbraw/zinc/35/85/32/1067358532.db2.gz RLWMYCOSWBPGTN-NRFANRHFSA-N 0 0 451.355 4.811 20 0 JJADRN CCCCn1c(CN2CCC[C@](C)(CCC)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459590349 1067358646 /nfs/dbraw/zinc/35/86/46/1067358646.db2.gz XEFGVTGWQRHYJD-SANMLTNESA-N 0 0 451.615 4.549 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001459595170 1067359856 /nfs/dbraw/zinc/35/98/56/1067359856.db2.gz HYGZMNQVMIKZRE-GFCCVEGCSA-N 0 0 456.392 4.679 20 0 JJADRN CC1(C)C[C@@H](OC(=O)C2CCN(CC(F)(F)F)CC2)c2cc(Br)ccc2O1 ZINC001459607291 1067361538 /nfs/dbraw/zinc/36/15/38/1067361538.db2.gz BQQIDKAAXVJKMV-MRXNPFEDSA-N 0 0 450.295 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459607021 1067361681 /nfs/dbraw/zinc/36/16/81/1067361681.db2.gz GAKANEFPZQILGI-FZKQIMNGSA-N 0 0 451.445 4.686 20 0 JJADRN CC1(C)C[C@H](OC(=O)C2CCN(CC(F)(F)F)CC2)c2cc(Br)ccc2O1 ZINC001459607288 1067361835 /nfs/dbraw/zinc/36/18/35/1067361835.db2.gz BQQIDKAAXVJKMV-INIZCTEOSA-N 0 0 450.295 4.869 20 0 JJADRN O=C(CCCn1cccn1)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 ZINC001459607747 1067362239 /nfs/dbraw/zinc/36/22/39/1067362239.db2.gz JDZKONMVNZXYEO-UHFFFAOYSA-N 0 0 458.381 4.846 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCc1ncc(C(F)(F)F)s1 ZINC001459609944 1067362971 /nfs/dbraw/zinc/36/29/71/1067362971.db2.gz WDBDQYNWHMTFHV-LBPRGKRZSA-N 0 0 452.292 4.863 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)Oc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)c1C ZINC001459613365 1067364249 /nfs/dbraw/zinc/36/42/49/1067364249.db2.gz BVVYNUDOHJGMFV-ICSRJNTNSA-N 0 0 452.551 4.848 20 0 JJADRN CCOC(=O)c1cc2ccccc2cc1NC(=O)c1c(C)nc2ccc(Br)cn21 ZINC001459612797 1067364340 /nfs/dbraw/zinc/36/43/40/1067364340.db2.gz HEFGXIHHNZWPBR-UHFFFAOYSA-N 0 0 452.308 4.987 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001546110517 1067364952 /nfs/dbraw/zinc/36/49/52/1067364952.db2.gz CGTRDUNKDFIWLV-QGZVFWFLSA-N 0 0 470.609 4.535 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1OC ZINC001459618435 1067365632 /nfs/dbraw/zinc/36/56/32/1067365632.db2.gz JUKHAWAGXJLFGD-BLLLJJGKSA-N 0 0 458.274 4.950 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1C ZINC001459621068 1067366084 /nfs/dbraw/zinc/36/60/84/1067366084.db2.gz PSJOTDKGHRSZNK-LJQANCHMSA-N 0 0 454.361 4.586 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(F)(F)F ZINC001459621199 1067366366 /nfs/dbraw/zinc/36/63/66/1067366366.db2.gz YEFAWWPBSUALEC-VLIAUNLRSA-N 0 0 457.456 4.841 20 0 JJADRN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001459621929 1067366536 /nfs/dbraw/zinc/36/65/36/1067366536.db2.gz RAWWLWFZXTYUOG-RBUKOAKNSA-N 0 0 453.258 4.723 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1 ZINC001459628251 1067367569 /nfs/dbraw/zinc/36/75/69/1067367569.db2.gz JPZDXIRIQXSEQM-KWRJMZDGSA-N 0 0 455.860 4.933 20 0 JJADRN COc1cc(C(=O)NCC2([S@@](C)=O)CCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC001459629564 1067368514 /nfs/dbraw/zinc/36/85/14/1067368514.db2.gz MGLVUQHQPYYXEU-GDLZYMKVSA-N 0 0 456.391 4.612 20 0 JJADRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001459631420 1067368909 /nfs/dbraw/zinc/36/89/09/1067368909.db2.gz ZDNJEGVWYSEGQI-NSHDSACASA-N 0 0 453.167 4.883 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)ccc21 ZINC001459632314 1067368922 /nfs/dbraw/zinc/36/89/22/1067368922.db2.gz IEWKQDBZEZNDCK-FCHUYYIVSA-N 0 0 451.542 4.981 20 0 JJADRN CCN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633830 1067369393 /nfs/dbraw/zinc/36/93/93/1067369393.db2.gz COLICXKTTWTQLQ-LEAFIULHSA-N 0 0 455.602 4.780 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)sc1Cc1ccc(F)cc1F ZINC001459639565 1067370343 /nfs/dbraw/zinc/37/03/43/1067370343.db2.gz UBPHETAMZDHUDU-QGZVFWFLSA-N 0 0 455.530 4.929 20 0 JJADRN CN(C[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)OC(C)(C)C ZINC001459642870 1067370829 /nfs/dbraw/zinc/37/08/29/1067370829.db2.gz HKDJXVSAGGDZNV-QGZVFWFLSA-N 0 0 454.596 4.895 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)sc1Cc1ccc(F)c(F)c1F ZINC001459653969 1067372523 /nfs/dbraw/zinc/37/25/23/1067372523.db2.gz VWCIMZVHEPUDNV-QGZVFWFLSA-N 0 0 459.493 4.703 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC001459655316 1067372622 /nfs/dbraw/zinc/37/26/22/1067372622.db2.gz ZHOMNZFFEVDTRA-OAHLLOKOSA-N 0 0 456.008 4.865 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](c3ccc(C)cc3)[C@@H](C)S(C)(=O)=O)sc2C)cc1 ZINC001459653760 1067372653 /nfs/dbraw/zinc/37/26/53/1067372653.db2.gz JSNCPWSVSGKDEV-UZUQRXQVSA-N 0 0 457.617 4.945 20 0 JJADRN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001459658038 1067373389 /nfs/dbraw/zinc/37/33/89/1067373389.db2.gz WXXWYCLYQNNIST-GOSISDBHSA-N 0 0 459.421 4.605 20 0 JJADRN CC(C)c1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)cnn1-c1ccc(F)cc1 ZINC001459657263 1067373569 /nfs/dbraw/zinc/37/35/69/1067373569.db2.gz BTVHYCMICJHMLE-OAQYLSRUSA-N 0 0 458.578 4.948 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001546110812 1067373855 /nfs/dbraw/zinc/37/38/55/1067373855.db2.gz OFQYIWBXZXVMCB-RXFWQSSRSA-N 0 0 491.076 4.808 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(Cc3cccc(Br)c3OC(F)F)CC2)c1 ZINC001459659967 1067374285 /nfs/dbraw/zinc/37/42/85/1067374285.db2.gz AQBCDPYLYMTXRL-UHFFFAOYSA-N 0 0 454.315 4.709 20 0 JJADRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662273 1067374992 /nfs/dbraw/zinc/37/49/92/1067374992.db2.gz DLKNKQGAPOGGOO-HNNXBMFYSA-N 0 0 450.301 4.579 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546110879 1067375089 /nfs/dbraw/zinc/37/50/89/1067375089.db2.gz QWJPLUUWWWBOOT-UNMCSNQZSA-N 0 0 482.673 4.926 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001459663440 1067375227 /nfs/dbraw/zinc/37/52/27/1067375227.db2.gz VOOQRNQDZIVHIP-UGSOOPFHSA-N 0 0 458.805 4.624 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC001459664392 1067375788 /nfs/dbraw/zinc/37/57/88/1067375788.db2.gz SOWNXTQXEARXDV-RBUKOAKNSA-N 0 0 451.405 4.679 20 0 JJADRN O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC001459665558 1067376680 /nfs/dbraw/zinc/37/66/80/1067376680.db2.gz PUCOIWIABSSDPI-FQEVSTJZSA-N 0 0 450.963 4.631 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1)c1ccccc1 ZINC001459668073 1067377014 /nfs/dbraw/zinc/37/70/14/1067377014.db2.gz BXIHDSCAILIXBM-CYFREDJKSA-N 0 0 450.485 4.596 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1)c1ccccc1 ZINC001459668079 1067377044 /nfs/dbraw/zinc/37/70/44/1067377044.db2.gz BXIHDSCAILIXBM-DVECYGJZSA-N 0 0 450.485 4.596 20 0 JJADRN Cc1cnc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)nc1-c1ccccc1 ZINC001459671430 1067378948 /nfs/dbraw/zinc/37/89/48/1067378948.db2.gz ASDRXBREMJSKOD-VWLOTQADSA-N 0 0 452.558 4.927 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCOC2(C1)CCCCCC2 ZINC001459671598 1067379021 /nfs/dbraw/zinc/37/90/21/1067379021.db2.gz OUAKKMPOTUWQDE-UHFFFAOYSA-N 0 0 456.608 4.956 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2)nc1 ZINC001459678195 1067381222 /nfs/dbraw/zinc/38/12/22/1067381222.db2.gz VNHQMWNVOYJDDB-UHFFFAOYSA-N 0 0 458.562 4.780 20 0 JJADRN CCN(CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)CC(=O)Nc1c(C)cccc1C ZINC001459678765 1067381645 /nfs/dbraw/zinc/38/16/45/1067381645.db2.gz SMLYFQJSFCUVGT-UHFFFAOYSA-N 0 0 450.608 4.558 20 0 JJADRN CN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(C(F)(F)F)nn1 ZINC001459683260 1067382523 /nfs/dbraw/zinc/38/25/23/1067382523.db2.gz VFWSFGZINOJFMT-UHFFFAOYSA-N 0 0 453.218 4.722 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)C1 ZINC001459685582 1067383101 /nfs/dbraw/zinc/38/31/01/1067383101.db2.gz ZVRXPXTZUJHJGY-ZIHSNCGMSA-N 0 0 450.579 4.979 20 0 JJADRN Cc1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1C(=O)N1CCCCC1 ZINC001459687269 1067383682 /nfs/dbraw/zinc/38/36/82/1067383682.db2.gz RTZFCIHEDYFRMK-UHFFFAOYSA-N 0 0 453.340 4.579 20 0 JJADRN CCCN(C(=O)COc1ccc(Br)cc1F)[C@H](C)C(=O)Nc1ccccc1C ZINC001459688610 1067384101 /nfs/dbraw/zinc/38/41/01/1067384101.db2.gz CACUQYGDLXSGRS-OAHLLOKOSA-N 0 0 451.336 4.541 20 0 JJADRN O=C(NC[C@H]1CCCCN1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689828 1067384378 /nfs/dbraw/zinc/38/43/78/1067384378.db2.gz CZOVHJGJOIADIT-LBEKAKSKSA-N 0 0 454.423 4.777 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(-c2ccc(Br)o2)ncn1 ZINC001459689401 1067384648 /nfs/dbraw/zinc/38/46/48/1067384648.db2.gz RQYWZTULOSEXMH-LBPRGKRZSA-N 0 0 455.316 4.776 20 0 JJADRN CC(C)(C)SCCCN(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001459692703 1067385380 /nfs/dbraw/zinc/38/53/80/1067385380.db2.gz LCMDUYUQCYGBTQ-UHFFFAOYSA-N 0 0 452.624 4.508 20 0 JJADRN CC(C)N(CC(F)(F)F)C(=O)CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001459693157 1067385684 /nfs/dbraw/zinc/38/56/84/1067385684.db2.gz UMXFOPBUBOWAMI-INIZCTEOSA-N 0 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COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC001459698324 1067387285 /nfs/dbraw/zinc/38/72/85/1067387285.db2.gz YPBXSMISYNZIDI-YCRPNKLZSA-N 0 0 453.366 4.801 20 0 JJADRN COc1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001459698898 1067387489 /nfs/dbraw/zinc/38/74/89/1067387489.db2.gz OIOBKNIAOLBQEX-UHFFFAOYSA-N 0 0 450.926 4.884 20 0 JJADRN COc1cccc(C2(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)CCOCC2)c1F ZINC001459699239 1067387632 /nfs/dbraw/zinc/38/76/32/1067387632.db2.gz UVNJJELDRZHLIU-UHFFFAOYSA-N 0 0 454.523 4.584 20 0 JJADRN C[C@H]1C[C@@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC001459699802 1067387644 /nfs/dbraw/zinc/38/76/44/1067387644.db2.gz KEZBHJSXXFKGBM-JKSUJKDBSA-N 0 0 458.462 4.970 20 0 JJADRN COC(=O)c1cccc(CN(Cc2ccccc2OC)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl ZINC001459699305 1067387898 /nfs/dbraw/zinc/38/78/98/1067387898.db2.gz QQAQDDQFSUHAGA-UHFFFAOYSA-N 0 0 451.910 4.924 20 0 JJADRN Cc1cc(CNC(=O)c2cnn(C(C)C)c2-c2ccccc2)ccc1I ZINC001459701214 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1067412503 /nfs/dbraw/zinc/41/25/03/1067412503.db2.gz KGKSPZGNWQMVHG-QGZVFWFLSA-N 0 0 458.990 4.817 20 0 JJADRN COc1ccc(-c2ccc(NC(=O)c3cnc(NC(=O)OC(C)(C)C)cn3)nc2)cc1Cl ZINC001459764300 1067412812 /nfs/dbraw/zinc/41/28/12/1067412812.db2.gz PIHDLNAYFBQYLS-UHFFFAOYSA-N 0 0 455.902 4.800 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc(Br)c3nccnc3c2)c1 ZINC001459766950 1067413978 /nfs/dbraw/zinc/41/39/78/1067413978.db2.gz XAYNILZPKOMCBB-UHFFFAOYSA-N 0 0 456.340 4.919 20 0 JJADRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC001459766940 1067414510 /nfs/dbraw/zinc/41/45/10/1067414510.db2.gz MIEUFCXDHLKHCX-XPWALMASSA-N 0 0 456.652 4.534 20 0 JJADRN Cc1c(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)cccc1NC(=O)N(C)C ZINC001459770397 1067414981 /nfs/dbraw/zinc/41/49/81/1067414981.db2.gz YPNSXJORFZDXDG-UHFFFAOYSA-N 0 0 454.571 4.750 20 0 JJADRN CC1(C)CN=C(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)S1 ZINC001459769794 1067415064 /nfs/dbraw/zinc/41/50/64/1067415064.db2.gz MWXLCPZSLMWRPU-UHFFFAOYSA-N 0 0 459.015 4.570 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)O[C@H]1COc2cc(Cl)ccc21 ZINC001459771600 1067415572 /nfs/dbraw/zinc/41/55/72/1067415572.db2.gz RJIASJRMGLLVLT-ROUUACIJSA-N 0 0 457.832 4.954 20 0 JJADRN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001459773302 1067416047 /nfs/dbraw/zinc/41/60/47/1067416047.db2.gz HHMFDBYCTHNERJ-LJQANCHMSA-N 0 0 458.521 4.889 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001459777744 1067416974 /nfs/dbraw/zinc/41/69/74/1067416974.db2.gz GYYPJIZALHYMTM-NRFANRHFSA-N 0 0 459.656 4.934 20 0 JJADRN CC(C)(COc1ncccc1Br)NCc1nnc(-c2cccc3ccccc32)o1 ZINC001459779156 1067417791 /nfs/dbraw/zinc/41/77/91/1067417791.db2.gz LGVKEVFGYAUAQV-UHFFFAOYSA-N 0 0 453.340 4.995 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cnn2cccc(Br)c12 ZINC001459781571 1067418789 /nfs/dbraw/zinc/41/87/89/1067418789.db2.gz SMCDMOPXZCQWQU-UHFFFAOYSA-N 0 0 450.161 4.969 20 0 JJADRN CCc1c(NC(=O)CSc2nnc(-c3ccco3)n2CC)cnn1-c1ccccc1Cl ZINC001459783638 1067420621 /nfs/dbraw/zinc/42/06/21/1067420621.db2.gz RVNLRVVJUYFFKZ-UHFFFAOYSA-N 0 0 456.959 4.690 20 0 JJADRN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@@H]1CSc2ccc(Br)cc21 ZINC001459783940 1067420970 /nfs/dbraw/zinc/42/09/70/1067420970.db2.gz YYNAPOWHDFYUMW-OAHLLOKOSA-N 0 0 456.814 4.982 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(C)cc1 ZINC001459785417 1067421629 /nfs/dbraw/zinc/42/16/29/1067421629.db2.gz YIUUHZPAPUAQFP-MRXNPFEDSA-N 0 0 459.262 4.862 20 0 JJADRN O=C(CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787874 1067422124 /nfs/dbraw/zinc/42/21/24/1067422124.db2.gz MVDWSXOHKQFZMB-INIZCTEOSA-N 0 0 452.546 4.970 20 0 JJADRN O=C1[C@@H](N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788361 1067422785 /nfs/dbraw/zinc/42/27/85/1067422785.db2.gz PEGKLVWTPVYNDV-PBHICJAKSA-N 0 0 459.484 4.811 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001459788710 1067422837 /nfs/dbraw/zinc/42/28/37/1067422837.db2.gz CSUXZVVOWFPWJC-NRFANRHFSA-N 0 0 450.318 4.633 20 0 JJADRN COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c(I)c1 ZINC001459790248 1067423441 /nfs/dbraw/zinc/42/34/41/1067423441.db2.gz DRTAMNVVHLPXPM-FQEVSTJZSA-N 0 0 458.299 4.523 20 0 JJADRN COc1cccc([C@@H](OC)C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001459791857 1067424838 /nfs/dbraw/zinc/42/48/38/1067424838.db2.gz RDRLIABSDFCVNW-HSZRJFAPSA-N 0 0 452.576 4.921 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)CC2)n1 ZINC001459792618 1067425514 /nfs/dbraw/zinc/42/55/14/1067425514.db2.gz ZSIQSBUQPDMEGH-UHFFFAOYSA-N 0 0 457.596 4.582 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001459792821 1067425606 /nfs/dbraw/zinc/42/56/06/1067425606.db2.gz YTMQLZNUHFMHGD-HNNXBMFYSA-N 0 0 457.384 4.974 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc21 ZINC001459794027 1067426025 /nfs/dbraw/zinc/42/60/25/1067426025.db2.gz AWPDCMGDUYRWFT-MSOLQXFVSA-N 0 0 450.023 4.759 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC001459794791 1067427149 /nfs/dbraw/zinc/42/71/49/1067427149.db2.gz FAMNYUNNWDUICF-RBUKOAKNSA-N 0 0 456.608 4.506 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001459795301 1067427193 /nfs/dbraw/zinc/42/71/93/1067427193.db2.gz KGDDFUCILSYDKW-QAPCUYQASA-N 0 0 450.284 4.762 20 0 JJADRN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001459796824 1067427568 /nfs/dbraw/zinc/42/75/68/1067427568.db2.gz LLSZQYQQVPIEDT-CYBMUJFWSA-N 0 0 450.885 4.565 20 0 JJADRN C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798029 1067428136 /nfs/dbraw/zinc/42/81/36/1067428136.db2.gz RWHOGYUKCUOBAZ-OALUTQOASA-N 0 0 459.556 4.972 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798443 1067428641 /nfs/dbraw/zinc/42/86/41/1067428641.db2.gz RPOSUWCSXKTAGW-GKVSMKOHSA-N 0 0 453.970 4.699 20 0 JJADRN CCOC(=O)CN(Cc1ccncc1Br)[C@@H](C)c1cccc(Br)c1 ZINC001459801360 1067429692 /nfs/dbraw/zinc/42/96/92/1067429692.db2.gz JLYRKEQPXMOJLH-ZDUSSCGKSA-N 0 0 456.178 4.733 20 0 JJADRN CCOC(=O)CN(Cc1ccc2c(c1)OC(F)(F)O2)[C@H](C)c1cccc(Br)c1 ZINC001459806037 1067431616 /nfs/dbraw/zinc/43/16/16/1067431616.db2.gz SKSFDJVXVBMDBK-CYBMUJFWSA-N 0 0 456.283 4.897 20 0 JJADRN COc1ccc([C@@H](NCCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C(F)(F)F)cc1 ZINC001459807367 1067432312 /nfs/dbraw/zinc/43/23/12/1067432312.db2.gz HXBNBIKSDCFYPB-HXPMCKFVSA-N 0 0 450.530 4.843 20 0 JJADRN COc1ccc([C@@H](NCCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C(F)(F)F)cc1 ZINC001459807366 1067432323 /nfs/dbraw/zinc/43/23/23/1067432323.db2.gz HXBNBIKSDCFYPB-CWTRNNRKSA-N 0 0 450.530 4.843 20 0 JJADRN COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)ccc1C(F)(F)F ZINC001459809356 1067432697 /nfs/dbraw/zinc/43/26/97/1067432697.db2.gz KJNPLAXMNZKEHA-UHFFFAOYSA-N 0 0 456.486 4.531 20 0 JJADRN CC1(C)CC(=O)c2cc(OC(=O)c3cc(Cl)ccc3I)ccc2O1 ZINC001459809707 1067432799 /nfs/dbraw/zinc/43/27/99/1067432799.db2.gz DCNRKTVSOQEEBH-UHFFFAOYSA-N 0 0 456.663 4.908 20 0 JJADRN O=C(CCn1cc(Br)cn1)Nc1ccnc2c(Cl)cc(Br)cc12 ZINC001459810838 1067433300 /nfs/dbraw/zinc/43/33/00/1067433300.db2.gz RWUILBMHYRZSPE-UHFFFAOYSA-N 0 0 458.541 4.639 20 0 JJADRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459812909 1067434436 /nfs/dbraw/zinc/43/44/36/1067434436.db2.gz SPUGWIDDVJOQMQ-SKDRFNHKSA-N 0 0 450.280 4.796 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C)C(=O)NCc1ccccc1F ZINC001459817425 1067436515 /nfs/dbraw/zinc/43/65/15/1067436515.db2.gz CSMQMUWNBXRBHM-LAUBAEHRSA-N 0 0 451.508 4.840 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001459817738 1067437087 /nfs/dbraw/zinc/43/70/87/1067437087.db2.gz AQCIGWMYLAFMGZ-FPOVZHCZSA-N 0 0 456.562 4.710 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC001459822414 1067439172 /nfs/dbraw/zinc/43/91/72/1067439172.db2.gz PEVDXANHUFTFEU-GFCCVEGCSA-N 0 0 454.752 4.958 20 0 JJADRN COc1cc([C@H](NCc2nc(C)c(Br)s2)C(F)(F)F)cc(OC)c1OC ZINC001459822058 1067439252 /nfs/dbraw/zinc/43/92/52/1067439252.db2.gz YYSKHDXZADYWKP-AWEZNQCLSA-N 0 0 455.296 4.633 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccco2)C1 ZINC001546112109 1067439621 /nfs/dbraw/zinc/43/96/21/1067439621.db2.gz CZNCZXXGUJNFEN-UHFFFAOYSA-N 0 0 467.639 4.918 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC001459826526 1067441248 /nfs/dbraw/zinc/44/12/48/1067441248.db2.gz OQOLGMAEXWFCEX-FCHUYYIVSA-N 0 0 455.601 4.541 20 0 JJADRN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O)c1ccc(F)cc1OC(F)F ZINC001459825959 1067441361 /nfs/dbraw/zinc/44/13/61/1067441361.db2.gz VWFPVIFUVFJDJH-WSXQUGQNSA-N 0 0 452.473 4.935 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1 ZINC001459827245 1067441672 /nfs/dbraw/zinc/44/16/72/1067441672.db2.gz YSXTUGVXQNFVHR-NRFANRHFSA-N 0 0 455.555 4.997 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001459827070 1067441727 /nfs/dbraw/zinc/44/17/27/1067441727.db2.gz DSNFPPBLTUIRKQ-FQEVSTJZSA-N 0 0 456.395 4.655 20 0 JJADRN COc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(Cl)c1OC ZINC001459828185 1067442168 /nfs/dbraw/zinc/44/21/68/1067442168.db2.gz MCASYNYOSJFVQI-OAHLLOKOSA-N 0 0 457.785 4.992 20 0 JJADRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC001459828555 1067442265 /nfs/dbraw/zinc/44/22/65/1067442265.db2.gz OAJZAQYCKMIHGR-NRFANRHFSA-N 0 0 454.617 4.809 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC001459828317 1067442279 /nfs/dbraw/zinc/44/22/79/1067442279.db2.gz UNFMTPPKLCKMDD-UHFFFAOYSA-N 0 0 456.388 4.834 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccn(Cc2ccccc2)c1=O ZINC001459829040 1067442554 /nfs/dbraw/zinc/44/25/54/1067442554.db2.gz SHYTVXDXBONSBN-IBGZPJMESA-N 0 0 456.373 4.602 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c(-c2ccc(Cl)s2)n1 ZINC001459832760 1067444839 /nfs/dbraw/zinc/44/48/39/1067444839.db2.gz JXBUPNTXSLGAAR-IINYFYTJSA-N 0 0 454.752 4.990 20 0 JJADRN Cn1ncc(I)c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001459834983 1067445821 /nfs/dbraw/zinc/44/58/21/1067445821.db2.gz IWXOCAMPCQFAHZ-SFHVURJKSA-N 0 0 451.739 4.752 20 0 JJADRN O=C(C[C@H]1CCCN1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834922 1067445938 /nfs/dbraw/zinc/44/59/38/1067445938.db2.gz KFFAKZMTPDRYEI-LJQANCHMSA-N 0 0 458.331 4.799 20 0 JJADRN CCn1c(CNC(=O)[C@H](C)Cc2cncc3ccccc32)nc2cc(Br)ccc21 ZINC001459840349 1067448136 /nfs/dbraw/zinc/44/81/36/1067448136.db2.gz JTLKUYWKAOPKJT-OAHLLOKOSA-N 0 0 451.368 4.862 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)OC ZINC001459841799 1067448656 /nfs/dbraw/zinc/44/86/56/1067448656.db2.gz PTRZUNHIRULSMG-JOCHJYFZSA-N 0 0 454.954 4.843 20 0 JJADRN Cc1ccccc1Nc1nc(N)nc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC001459842811 1067449559 /nfs/dbraw/zinc/44/95/59/1067449559.db2.gz VKDQTZWRBOATQQ-GOSISDBHSA-N 0 0 453.550 4.609 20 0 JJADRN CCC1(CC)CCN(c2nnc(CSc3ccccc3OC)n2Cc2c(C)nn(C)c2C)C1 ZINC001546112217 1067451437 /nfs/dbraw/zinc/45/14/37/1067451437.db2.gz IVFKBONNEWEWKP-UHFFFAOYSA-N 0 0 468.671 4.994 20 0 JJADRN O=C(Nc1cccc(Cl)c1Br)c1cn(-c2ccc(Br)cc2)nn1 ZINC001459846139 1067452089 /nfs/dbraw/zinc/45/20/89/1067452089.db2.gz VNJJEBHORHKLGD-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001459847379 1067452389 /nfs/dbraw/zinc/45/23/89/1067452389.db2.gz BNJVCOHLZOUWMV-BFHYXJOUSA-N 0 0 457.785 4.984 20 0 JJADRN Cc1ccc(NC(=O)CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC001459847262 1067452433 /nfs/dbraw/zinc/45/24/33/1067452433.db2.gz NGVOTWWBKFHYLV-IBGZPJMESA-N 0 0 453.892 4.559 20 0 JJADRN COc1ccc(NC(=O)c2nnc(CNC(C)(C)c3ccc(OCC(C)C)cc3)s2)cc1 ZINC001459847705 1067453127 /nfs/dbraw/zinc/45/31/27/1067453127.db2.gz AZTSBRIIPYHLNC-UHFFFAOYSA-N 0 0 454.596 4.859 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NCC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)cc1 ZINC001459848392 1067453619 /nfs/dbraw/zinc/45/36/19/1067453619.db2.gz FLIACYWAYGBPPB-OAQYLSRUSA-N 0 0 454.574 4.627 20 0 JJADRN COC(=O)[C@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)c1cccc(Br)c1 ZINC001459848546 1067454059 /nfs/dbraw/zinc/45/40/59/1067454059.db2.gz RVZJWNPLGODRSV-OPAMFIHVSA-N 0 0 455.352 4.988 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N(Cc3cccc(Br)c3)CC3CC3)cn2)C[C@H](C)O1 ZINC001459848550 1067454149 /nfs/dbraw/zinc/45/41/49/1067454149.db2.gz DHDLYBPVCGFOHM-CALCHBBNSA-N 0 0 458.400 4.510 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001459849431 1067454541 /nfs/dbraw/zinc/45/45/41/1067454541.db2.gz IPBUZQTWFPHTQW-LJQANCHMSA-N 0 0 457.452 4.542 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC001459849583 1067454593 /nfs/dbraw/zinc/45/45/93/1067454593.db2.gz KDVDUKQJZWGOBB-LLVKDONJSA-N 0 0 450.757 4.746 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Br)ccc1F ZINC001459850583 1067455689 /nfs/dbraw/zinc/45/56/89/1067455689.db2.gz PMDSKUMSQFYNNQ-UHFFFAOYSA-N 0 0 451.155 4.701 20 0 JJADRN O[C@@H](CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851028 1067456107 /nfs/dbraw/zinc/45/61/07/1067456107.db2.gz GFBJYITZJDCSGL-APWZRJJASA-N 0 0 451.384 4.667 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001459851584 1067456813 /nfs/dbraw/zinc/45/68/13/1067456813.db2.gz XMNAZSFJVIQOCR-LJQANCHMSA-N 0 0 458.345 4.830 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC001459856152 1067459262 /nfs/dbraw/zinc/45/92/62/1067459262.db2.gz LTXWOIDKJDKDGE-UYAOXDASSA-N 0 0 452.979 4.665 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC001459856373 1067459931 /nfs/dbraw/zinc/45/99/31/1067459931.db2.gz PCBUQUXTJCSPNK-INIZCTEOSA-N 0 0 451.361 4.977 20 0 JJADRN CON(C)C(=O)c1cc(F)ccc1NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC001459857005 1067459957 /nfs/dbraw/zinc/45/99/57/1067459957.db2.gz RPESITMOOSUPKZ-UHFFFAOYSA-N 0 0 451.285 4.512 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccnc2OC)C1 ZINC001546112303 1067459997 /nfs/dbraw/zinc/45/99/97/1067459997.db2.gz LVDZUXPREZNWJN-FQEVSTJZSA-N 0 0 484.645 4.819 20 0 JJADRN Cc1ccc([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)C2)c(C)c1 ZINC001459858263 1067460265 /nfs/dbraw/zinc/46/02/65/1067460265.db2.gz GJLBKFYPNFGBPZ-JOCHJYFZSA-N 0 0 454.636 4.886 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC001459857702 1067460412 /nfs/dbraw/zinc/46/04/12/1067460412.db2.gz SLQGMQOWFQSNNP-CQSZACIVSA-N 0 0 450.438 4.658 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC001459859658 1067460855 /nfs/dbraw/zinc/46/08/55/1067460855.db2.gz UOFFPJYAXMRCLT-BXKMTCNYSA-N 0 0 457.530 4.797 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC001459859296 1067460888 /nfs/dbraw/zinc/46/08/88/1067460888.db2.gz UJPSJVGGBOGOTF-UHFFFAOYSA-N 0 0 457.621 4.732 20 0 JJADRN Cc1ccc([C@@H](CN2CCOCC2)NCc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001459861745 1067461870 /nfs/dbraw/zinc/46/18/70/1067461870.db2.gz JUORLYSDJJYCRA-HSZRJFAPSA-N 0 0 458.027 4.847 20 0 JJADRN Cc1ccc(C2(C(=O)Oc3ccc4c(c3)n(C)c(=O)n4C)CCCCC2)c(Br)c1 ZINC001459864191 1067462996 /nfs/dbraw/zinc/46/29/96/1067462996.db2.gz NJTWGZTVXIAQOE-UHFFFAOYSA-N 0 0 457.368 4.755 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCOCC1 ZINC001459864498 1067463151 /nfs/dbraw/zinc/46/31/51/1067463151.db2.gz JSVYQSTWSCUWCC-GFCCVEGCSA-N 0 0 455.527 4.882 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c(Sc2ccc(Cl)cc2)c1 ZINC001459868578 1067465304 /nfs/dbraw/zinc/46/53/04/1067465304.db2.gz JOGZKZHSBFICTM-IBGZPJMESA-N 0 0 458.933 4.793 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)ccc1C ZINC001459868600 1067465386 /nfs/dbraw/zinc/46/53/86/1067465386.db2.gz YBLLXCQDCBNUMH-UHFFFAOYSA-N 0 0 453.536 4.825 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001459872480 1067467895 /nfs/dbraw/zinc/46/78/95/1067467895.db2.gz ROYRVHDKTYIDCW-KRWDZBQOSA-N 0 0 456.587 4.772 20 0 JJADRN O=C1[C@H](N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001459873494 1067468414 /nfs/dbraw/zinc/46/84/14/1067468414.db2.gz CHYCBVRLDQEBIM-RTBURBONSA-N 0 0 457.304 4.774 20 0 JJADRN COc1ccc(NC(=O)CSc2nc3ccccc3s2)c(I)c1 ZINC001459874037 1067468949 /nfs/dbraw/zinc/46/89/49/1067468949.db2.gz OWILJOWGVXWXRJ-UHFFFAOYSA-N 0 0 456.330 4.640 20 0 JJADRN Cc1cc(C)c(N2CC[C@@H](N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)C2=O)c(C)c1 ZINC001459876552 1067469396 /nfs/dbraw/zinc/46/93/96/1067469396.db2.gz OXLNWFNARNDQAH-JOCHJYFZSA-N 0 0 455.002 4.529 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001546112429 1067469844 /nfs/dbraw/zinc/46/98/44/1067469844.db2.gz QVAYWIXYMIMFDO-UHFFFAOYSA-N 0 0 496.574 4.844 20 0 JJADRN Cc1ccc(S(=O)(=O)CCCN2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001459884448 1067472635 /nfs/dbraw/zinc/47/26/35/1067472635.db2.gz TVMMWBRDPAPCEG-HXUWFJFHSA-N 0 0 458.624 4.805 20 0 JJADRN O=C(Nc1nc(C2CCOCC2)cs1)c1scc(Br)c1Br ZINC001459884293 1067472674 /nfs/dbraw/zinc/47/26/74/1067472674.db2.gz REWMDVPDWVLQLX-UHFFFAOYSA-N 0 0 452.193 4.876 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001546112512 1067472687 /nfs/dbraw/zinc/47/26/87/1067472687.db2.gz UUDMCHFKSZHALM-GBXCKJPGSA-N 0 0 456.631 4.943 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(Cl)cccc2n1 ZINC001459885329 1067472723 /nfs/dbraw/zinc/47/27/23/1067472723.db2.gz ZPKKVUOKVAINRI-UHFFFAOYSA-N 0 0 451.935 4.966 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)Cc2coc3ccccc23)C1=O ZINC001459887359 1067473665 /nfs/dbraw/zinc/47/36/65/1067473665.db2.gz KCHDUJXGTIEKJP-IBGZPJMESA-N 0 0 455.352 4.666 20 0 JJADRN CC(=O)N(c1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC001459888425 1067474133 /nfs/dbraw/zinc/47/41/33/1067474133.db2.gz AMTZBAWQNDKZON-SFHVURJKSA-N 0 0 458.628 4.886 20 0 JJADRN CC[C@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891235 1067475260 /nfs/dbraw/zinc/47/52/60/1067475260.db2.gz MOMRCJCLGFGAMX-SHQCIBLASA-N 0 0 456.590 4.903 20 0 JJADRN COC(=O)C1(NC[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1 ZINC001459890468 1067475334 /nfs/dbraw/zinc/47/53/34/1067475334.db2.gz CQCNPNSCPKONPA-HXUWFJFHSA-N 0 0 452.378 4.536 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)NCc2cc(F)c(F)cc2Br)n1 ZINC001459892841 1067476303 /nfs/dbraw/zinc/47/63/03/1067476303.db2.gz BXWYNOHXGVQIPW-UHFFFAOYSA-N 0 0 454.296 4.641 20 0 JJADRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001459892749 1067476325 /nfs/dbraw/zinc/47/63/25/1067476325.db2.gz XGTAIGIEJLYLNN-SFHVURJKSA-N 0 0 452.864 4.985 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)s1 ZINC001459893837 1067476623 /nfs/dbraw/zinc/47/66/23/1067476623.db2.gz DYSLTGXXPMRQJP-RYUDHWBXSA-N 0 0 457.987 4.573 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459893405 1067476710 /nfs/dbraw/zinc/47/67/10/1067476710.db2.gz FSFNCGKKQFOMQD-MRXNPFEDSA-N 0 0 455.283 4.719 20 0 JJADRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@@H](c3nccn3C)C2)cc1 ZINC001459894116 1067477187 /nfs/dbraw/zinc/47/71/87/1067477187.db2.gz OATVUUMFKJZHIK-QGZVFWFLSA-N 0 0 454.958 4.693 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001546112210 1067477755 /nfs/dbraw/zinc/47/77/55/1067477755.db2.gz IJLGESMKFLZCMK-UHFFFAOYSA-N 0 0 476.065 4.638 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCSC2)C1 ZINC001546112583 1067478604 /nfs/dbraw/zinc/47/86/04/1067478604.db2.gz XDCDUMSWKKGSDW-QRVBRYPASA-N 0 0 463.692 4.818 20 0 JJADRN CN(C(=O)c1ccc(C(=O)NCc2cc(F)c(F)cc2Br)cc1)c1ccccc1 ZINC001459897825 1067478645 /nfs/dbraw/zinc/47/86/45/1067478645.db2.gz PSRPOZPJCSFVGK-UHFFFAOYSA-N 0 0 459.290 4.934 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCSC2)C1 ZINC001546112582 1067478703 /nfs/dbraw/zinc/47/87/03/1067478703.db2.gz XDCDUMSWKKGSDW-GBESFXJTSA-N 0 0 463.692 4.818 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CCc2ccc3c(c2)CCO3)C1 ZINC001459899264 1067479289 /nfs/dbraw/zinc/47/92/89/1067479289.db2.gz IRHHLRYNYYRZGE-OAQYLSRUSA-N 0 0 457.412 4.719 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCC3=O)C1 ZINC001459900462 1067479341 /nfs/dbraw/zinc/47/93/41/1067479341.db2.gz KNZNFAUAJLPEBQ-HXUWFJFHSA-N 0 0 455.396 4.984 20 0 JJADRN C[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900926 1067479634 /nfs/dbraw/zinc/47/96/34/1067479634.db2.gz ZDQZDMMQBMNMEJ-ROUUACIJSA-N 0 0 458.518 4.542 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc(C)cc2Sc2ccccc2)s1 ZINC001459900950 1067480449 /nfs/dbraw/zinc/48/04/49/1067480449.db2.gz WNQIFMSJBRSORX-JKSUJKDBSA-N 0 0 454.621 4.953 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c(C)nc1C ZINC001459902775 1067480719 /nfs/dbraw/zinc/48/07/19/1067480719.db2.gz SUTKKALRQMDEKL-IBGZPJMESA-N 0 0 458.400 4.679 20 0 JJADRN Cc1noc([C@@H](C)NCC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)n1 ZINC001459904022 1067481888 /nfs/dbraw/zinc/48/18/88/1067481888.db2.gz MWUYIQBWAZFOMW-QGZVFWFLSA-N 0 0 458.566 4.818 20 0 JJADRN COc1cc(-c2noc(CN[C@H](CC(F)(F)F)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC001459905160 1067482375 /nfs/dbraw/zinc/48/23/75/1067482375.db2.gz RCWIIDMZLAMILA-MRXNPFEDSA-N 0 0 451.445 4.854 20 0 JJADRN Cc1ccc(C(=O)O[C@H](C)c2ccc(C(F)(F)F)nc2)cc1S(=O)(=O)NC1CCCC1 ZINC001459906336 1067482952 /nfs/dbraw/zinc/48/29/52/1067482952.db2.gz RHALBTRDRBPLDO-CQSZACIVSA-N 0 0 456.486 4.548 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC001459907556 1067483592 /nfs/dbraw/zinc/48/35/92/1067483592.db2.gz ARJVABFSMSPRPI-QGZVFWFLSA-N 0 0 455.352 4.998 20 0 JJADRN C[C@@H](NCc1nc2ccccc2c(=O)n1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459907937 1067484024 /nfs/dbraw/zinc/48/40/24/1067484024.db2.gz FJGWDFLYFKXNRY-CYBMUJFWSA-N 0 0 455.381 4.670 20 0 JJADRN C[C@@H](NCc1c(Br)cnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459908626 1067484547 /nfs/dbraw/zinc/48/45/47/1067484547.db2.gz IICVTXIOFQVCBJ-SNVBAGLBSA-N 0 0 456.207 4.919 20 0 JJADRN Cc1sc([C@@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001459909689 1067485107 /nfs/dbraw/zinc/48/51/07/1067485107.db2.gz LRQHKQICZQVBGD-CQSZACIVSA-N 0 0 450.029 4.873 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(SC(F)(F)F)cc3)CC2)cc1 ZINC001459910756 1067485872 /nfs/dbraw/zinc/48/58/72/1067485872.db2.gz PUZAFBNHVIHDOA-UHFFFAOYSA-N 0 0 459.511 4.613 20 0 JJADRN O=C1[C@H](N2CCO[C@H](c3cccc(Cl)c3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001459913983 1067487853 /nfs/dbraw/zinc/48/78/53/1067487853.db2.gz OYZZDPQXHSKLQO-RTWAWAEBSA-N 0 0 452.904 4.923 20 0 JJADRN CCc1ccc([C@@H]2CCCN(C(=O)c3nnn(-c4ccccc4Br)c3C)C2)cc1 ZINC001459913170 1067487937 /nfs/dbraw/zinc/48/79/37/1067487937.db2.gz OTXPZYBJWBMXEU-LJQANCHMSA-N 0 0 453.384 4.920 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)c1Br ZINC001459914605 1067488250 /nfs/dbraw/zinc/48/82/50/1067488250.db2.gz OLJZWCVAHLRTSH-UHFFFAOYSA-N 0 0 453.123 4.916 20 0 JJADRN COc1ccc(Cn2cc(NC(=O)c3cc(Cl)c(Br)cc3OC)cn2)cc1 ZINC001459914599 1067488269 /nfs/dbraw/zinc/48/82/69/1067488269.db2.gz QZWCVPUCDXFYKT-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CCCc1c(C(=O)Nc2cccc(C(=O)NC)c2Br)cnn1-c1ccc(C)cc1 ZINC001459915111 1067488286 /nfs/dbraw/zinc/48/82/86/1067488286.db2.gz UQYMMUYZYIOWIX-UHFFFAOYSA-N 0 0 455.356 4.508 20 0 JJADRN CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c1Br ZINC001459915149 1067488311 /nfs/dbraw/zinc/48/83/11/1067488311.db2.gz VODDZKCJKJVLSI-JTQLQIEISA-N 0 0 450.383 4.538 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)C1 ZINC001459915919 1067488903 /nfs/dbraw/zinc/48/89/03/1067488903.db2.gz BVRJXYYUQOEPTH-GOEBONIOSA-N 0 0 457.796 4.966 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)C1 ZINC001459915925 1067488936 /nfs/dbraw/zinc/48/89/36/1067488936.db2.gz BVRJXYYUQOEPTH-ZBFHGGJFSA-N 0 0 457.796 4.966 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)c1cc2sc(Br)cc2s1)N1CCCC1 ZINC001459917056 1067490002 /nfs/dbraw/zinc/49/00/02/1067490002.db2.gz BEARYKAELRSVRI-LBPRGKRZSA-N 0 0 457.415 4.952 20 0 JJADRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001459919056 1067490743 /nfs/dbraw/zinc/49/07/43/1067490743.db2.gz HQIWXHMRRYQHMZ-JOCHJYFZSA-N 0 0 459.631 4.672 20 0 JJADRN Cc1cccc(CCCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1 ZINC001459921684 1067492282 /nfs/dbraw/zinc/49/22/82/1067492282.db2.gz XOYPZFFLERCVNV-UHFFFAOYSA-N 0 0 450.379 4.635 20 0 JJADRN O=c1[nH]c(CN2CCc3c(Br)ccc(F)c3C2)nc2cc(C(F)(F)F)ccc12 ZINC001459923856 1067493325 /nfs/dbraw/zinc/49/33/25/1067493325.db2.gz YKPCYPGEMDRRDG-UHFFFAOYSA-N 0 0 456.237 4.814 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459923883 1067493339 /nfs/dbraw/zinc/49/33/39/1067493339.db2.gz KTJUQHFZOOQHBE-HIFRSBDPSA-N 0 0 456.867 4.940 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)c1cccc(Br)c1 ZINC001459926587 1067494901 /nfs/dbraw/zinc/49/49/01/1067494901.db2.gz YHKMILXYAQIIOG-XLIONFOSSA-N 0 0 451.405 4.802 20 0 JJADRN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928230 1067495247 /nfs/dbraw/zinc/49/52/47/1067495247.db2.gz BLKDWLFCSRHSOI-FZKQIMNGSA-N 0 0 457.290 4.868 20 0 JJADRN O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928381 1067495379 /nfs/dbraw/zinc/49/53/79/1067495379.db2.gz BPRSPMHNQLPMPN-MJGOQNOKSA-N 0 0 450.284 4.825 20 0 JJADRN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1nc(C)cs1 ZINC001459930407 1067496006 /nfs/dbraw/zinc/49/60/06/1067496006.db2.gz YRTBKBUZHJMPKW-VQIMIIECSA-N 0 0 452.580 4.780 20 0 JJADRN COc1ccc(-n2c(CN[C@H](CO)c3cccc(Br)c3)nc3ccccc32)cc1 ZINC001459932845 1067496944 /nfs/dbraw/zinc/49/69/44/1067496944.db2.gz MXPOOQWLOPQLQP-OAQYLSRUSA-N 0 0 452.352 4.620 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Oc2ccc3cc[nH]c3c2)c1 ZINC001459933780 1067497376 /nfs/dbraw/zinc/49/73/76/1067497376.db2.gz PKQAEMJTYHMYOQ-UHFFFAOYSA-N 0 0 450.516 4.529 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001459933678 1067497403 /nfs/dbraw/zinc/49/74/03/1067497403.db2.gz SIAHSYYLLNPNLY-HSZRJFAPSA-N 0 0 451.611 4.937 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001459934482 1067497996 /nfs/dbraw/zinc/49/79/96/1067497996.db2.gz RPVRJYVSDHFAMC-SFHVURJKSA-N 0 0 458.274 4.828 20 0 JJADRN CCCOCc1ccccc1CNC(=O)CN(C)Cc1cc(Br)ccc1Cl ZINC001459940438 1067500095 /nfs/dbraw/zinc/50/00/95/1067500095.db2.gz VZHYFGZEUAIJRT-UHFFFAOYSA-N 0 0 453.808 4.777 20 0 JJADRN CC(=O)N(c1nc(CN2CC[C@@](O)(C(F)(F)F)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459940586 1067500102 /nfs/dbraw/zinc/50/01/02/1067500102.db2.gz NXIRWTKBOQZXRN-INIZCTEOSA-N 0 0 454.301 4.634 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 ZINC001459939409 1067500108 /nfs/dbraw/zinc/50/01/08/1067500108.db2.gz YEQNAEDIEXHSRK-KGLIPLIRSA-N 0 0 459.310 4.637 20 0 JJADRN COc1ccc2cc(NC(=O)[C@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2c1 ZINC001459941720 1067500513 /nfs/dbraw/zinc/50/05/13/1067500513.db2.gz HXDHUINMCNASST-OAQYLSRUSA-N 0 0 453.336 4.741 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)cs2)cc1 ZINC001459940829 1067500768 /nfs/dbraw/zinc/50/07/68/1067500768.db2.gz MNFODOCWSRUSLH-LJQANCHMSA-N 0 0 457.596 4.826 20 0 JJADRN CCCN(C)[C@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001459942995 1067500955 /nfs/dbraw/zinc/50/09/55/1067500955.db2.gz BCWGFSLWFBDXLW-YADHBBJMSA-N 0 0 457.080 4.611 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCc2cccc(C(F)(F)F)c21 ZINC001459945913 1067502152 /nfs/dbraw/zinc/50/21/52/1067502152.db2.gz OYJJEAOCUSTVDY-UHFFFAOYSA-N 0 0 450.258 4.916 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)c3nnn(CC4CCCC4)c3C)c2)c1 ZINC001459945672 1067502268 /nfs/dbraw/zinc/50/22/68/1067502268.db2.gz HDNIOJLWVRMXBY-UHFFFAOYSA-N 0 0 450.539 4.516 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001459948602 1067503097 /nfs/dbraw/zinc/50/30/97/1067503097.db2.gz BSYVGLYJLHCGNW-CHWSQXEVSA-N 0 0 459.395 4.876 20 0 JJADRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001459948430 1067503132 /nfs/dbraw/zinc/50/31/32/1067503132.db2.gz XWJYYFMCFKOLDZ-SCLBCKFNSA-N 0 0 458.274 4.820 20 0 JJADRN CCN(C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C)C1CCCC1 ZINC001459948706 1067503595 /nfs/dbraw/zinc/50/35/95/1067503595.db2.gz YAUQZYUBPFJSNR-UHFFFAOYSA-N 0 0 458.624 4.689 20 0 JJADRN COc1cc(OC)cc(N(C)CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 ZINC001459950347 1067504425 /nfs/dbraw/zinc/50/44/25/1067504425.db2.gz ONHYFFWSIYHKDK-UHFFFAOYSA-N 0 0 451.592 4.709 20 0 JJADRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC001459954303 1067505117 /nfs/dbraw/zinc/50/51/17/1067505117.db2.gz SFRSHMLCNCCBNE-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN COc1ccc(-n2c(CN3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc3ccccc32)cc1 ZINC001459955487 1067505948 /nfs/dbraw/zinc/50/59/48/1067505948.db2.gz HQKZFQOHFMFBAV-UHFFFAOYSA-N 0 0 450.583 4.913 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001459960381 1067508026 /nfs/dbraw/zinc/50/80/26/1067508026.db2.gz OKSCHFJKTXLOQK-JOCHJYFZSA-N 0 0 455.954 4.982 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC001459960196 1067508043 /nfs/dbraw/zinc/50/80/43/1067508043.db2.gz MATROWNBIHJRCS-FQEVSTJZSA-N 0 0 452.555 4.634 20 0 JJADRN Fc1ccc([C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)cc1Br ZINC001459961625 1067508309 /nfs/dbraw/zinc/50/83/09/1067508309.db2.gz OWFSQXYOGKJGSY-JXFKEZNVSA-N 0 0 453.739 4.808 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC001459962161 1067509153 /nfs/dbraw/zinc/50/91/53/1067509153.db2.gz QXIGHAZHZBPFGN-XOVFHRFOSA-N 0 0 452.576 4.708 20 0 JJADRN CC(C)Oc1ccc(CCNC(=O)CN2CCC(c3ccccc3Br)CC2)cc1 ZINC001459963453 1067509268 /nfs/dbraw/zinc/50/92/68/1067509268.db2.gz PABVKAJGCVBICK-UHFFFAOYSA-N 0 0 459.428 4.775 20 0 JJADRN Cn1nccc1C1=CCN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001459972790 1067511155 /nfs/dbraw/zinc/51/11/55/1067511155.db2.gz BTQGWTIXETYIIV-QFIPXVFZSA-N 0 0 452.352 4.619 20 0 JJADRN CCOC(=O)c1ccccc1NC(=O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001459973388 1067511501 /nfs/dbraw/zinc/51/15/01/1067511501.db2.gz YZJXKCUQZFRNSJ-LJQANCHMSA-N 0 0 452.498 4.611 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c2ccccc21 ZINC001459973529 1067511524 /nfs/dbraw/zinc/51/15/24/1067511524.db2.gz HJKXMXMZCAFBEB-KUHUBIRLSA-N 0 0 450.753 4.846 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459974003 1067511815 /nfs/dbraw/zinc/51/18/15/1067511815.db2.gz GMJWVSWYAQQHPQ-YADARESESA-N 0 0 452.595 4.915 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)C1CCCCCC1 ZINC001459975218 1067512106 /nfs/dbraw/zinc/51/21/06/1067512106.db2.gz FZCBIJVDOONLIL-SBFWRKJZSA-N 0 0 456.627 4.881 20 0 JJADRN CC(C)Oc1ncc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1Cl ZINC001459976764 1067512886 /nfs/dbraw/zinc/51/28/86/1067512886.db2.gz NZZXQFYPTXLKQC-HXUWFJFHSA-N 0 0 459.974 4.787 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)nc1 ZINC001459976807 1067512948 /nfs/dbraw/zinc/51/29/48/1067512948.db2.gz OPWDVUMSUXPHKK-UHFFFAOYSA-N 0 0 452.352 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC001459977502 1067513169 /nfs/dbraw/zinc/51/31/69/1067513169.db2.gz RHVJBMAAQHHGFE-IBGZPJMESA-N 0 0 450.457 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC001459977503 1067513238 /nfs/dbraw/zinc/51/32/38/1067513238.db2.gz RHVJBMAAQHHGFE-LJQANCHMSA-N 0 0 450.457 4.850 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc4nccnc4c3Br)CCCC2)cc1OC ZINC001459978358 1067513440 /nfs/dbraw/zinc/51/34/40/1067513440.db2.gz ABLLIOYAZDPTPW-UHFFFAOYSA-N 0 0 456.340 4.860 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001459977926 1067513544 /nfs/dbraw/zinc/51/35/44/1067513544.db2.gz KDSMQSSVBYQHKF-XUZZJYLKSA-N 0 0 454.998 4.930 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001459978238 1067513647 /nfs/dbraw/zinc/51/36/47/1067513647.db2.gz XNXAYUFOGIOQLZ-MDZRGWNJSA-N 0 0 450.760 4.756 20 0 JJADRN CN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1)CC1(CO)CC1 ZINC001459978384 1067513797 /nfs/dbraw/zinc/51/37/97/1067513797.db2.gz FFCBCLRGPANCNJ-UHFFFAOYSA-N 0 0 456.011 4.701 20 0 JJADRN Cc1sc(=O)n(CC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC001459979742 1067514331 /nfs/dbraw/zinc/51/43/31/1067514331.db2.gz USHWPQCYCYYJPJ-OAQYLSRUSA-N 0 0 456.995 4.823 20 0 JJADRN CC[C@@](NC(=O)Cc1ccc(Br)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459980657 1067514365 /nfs/dbraw/zinc/51/43/65/1067514365.db2.gz NJIGOZMDCAVCSU-IBGZPJMESA-N 0 0 459.167 4.893 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)Nc3ccc4nccnc4c3Br)c21 ZINC001459981156 1067514661 /nfs/dbraw/zinc/51/46/61/1067514661.db2.gz RLVZJKJIIYIDMW-UHFFFAOYSA-N 0 0 454.328 4.746 20 0 JJADRN O=C(Nc1ccc2nccnc2c1Br)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459981227 1067514751 /nfs/dbraw/zinc/51/47/51/1067514751.db2.gz UFOQRGUDDRJOCW-PIGZYNQJSA-N 0 0 452.230 4.513 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1ccc(I)c(Cl)c1 ZINC001459983383 1067515124 /nfs/dbraw/zinc/51/51/24/1067515124.db2.gz CYXUHEJDWOHRPI-GOSISDBHSA-N 0 0 457.739 4.551 20 0 JJADRN CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)ccc1F ZINC001459983691 1067515322 /nfs/dbraw/zinc/51/53/22/1067515322.db2.gz DEPJQTDWHLMBCZ-UHFFFAOYSA-N 0 0 458.580 4.891 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)n2)cc1 ZINC001459991409 1067517518 /nfs/dbraw/zinc/51/75/18/1067517518.db2.gz DEONAAWNWFPHSZ-UHFFFAOYSA-N 0 0 454.939 4.771 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001459990469 1067517540 /nfs/dbraw/zinc/51/75/40/1067517540.db2.gz MCPFOMACKFBPRR-HNNXBMFYSA-N 0 0 456.892 4.858 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Cc1c(F)ccc(Br)c1F ZINC001459991282 1067517925 /nfs/dbraw/zinc/51/79/25/1067517925.db2.gz IPPHNQDIWKMDER-UHFFFAOYSA-N 0 0 452.217 4.870 20 0 JJADRN C[C@H](OC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)c1cc(Br)cc2c1OCC2 ZINC001459991560 1067517968 /nfs/dbraw/zinc/51/79/68/1067517968.db2.gz LAHNGLZYJCXSSV-ZDUSSCGKSA-N 0 0 454.361 4.778 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC001459993093 1067518445 /nfs/dbraw/zinc/51/84/45/1067518445.db2.gz KSCNLQCPSWBDAK-UHFFFAOYSA-N 0 0 454.533 4.841 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nnn1-c1ccc(F)c(F)c1 ZINC001459993582 1067518821 /nfs/dbraw/zinc/51/88/21/1067518821.db2.gz MJCZVMAQGCMNOO-HNNXBMFYSA-N 0 0 450.411 4.893 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2nc3c(s2)CSCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459994838 1067519239 /nfs/dbraw/zinc/51/92/39/1067519239.db2.gz RWNNIRZLRIGQGH-SGTLLEGYSA-N 0 0 453.992 4.662 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC001459996057 1067519535 /nfs/dbraw/zinc/51/95/35/1067519535.db2.gz RONNZDIEQLDHHU-QGZVFWFLSA-N 0 0 458.356 4.842 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)Nc1ccc(F)cc1OC1CCOCC1 ZINC001459999410 1067521227 /nfs/dbraw/zinc/52/12/27/1067521227.db2.gz USVPMEKRMCOUQG-UHFFFAOYSA-N 0 0 451.494 4.980 20 0 JJADRN CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(CC(=O)N(C)C)cc1 ZINC001460002780 1067522348 /nfs/dbraw/zinc/52/23/48/1067522348.db2.gz BWGSNQJXQPTPRM-UHFFFAOYSA-N 0 0 451.611 4.581 20 0 JJADRN FC(F)(F)c1cc([C@@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)cc(C(F)(F)F)c1 ZINC001460002315 1067522455 /nfs/dbraw/zinc/52/24/55/1067522455.db2.gz NPALAEYDPDOBOI-SFHVURJKSA-N 0 0 456.390 4.878 20 0 JJADRN O=C(Nc1ccccc1)c1nnc(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)s1 ZINC001460007008 1067524182 /nfs/dbraw/zinc/52/41/82/1067524182.db2.gz ZIJBFTKMGFNOKP-FQEVSTJZSA-N 0 0 450.461 4.880 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460008268 1067525200 /nfs/dbraw/zinc/52/52/00/1067525200.db2.gz UKHWQVJQFGLQFE-CQSZACIVSA-N 0 0 452.450 4.773 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)OCc2cn(-c3ccccc3Br)nn2)ccc1Cl ZINC001460009348 1067525635 /nfs/dbraw/zinc/52/56/35/1067525635.db2.gz YTESNLXALAJDJP-ZDUSSCGKSA-N 0 0 450.720 4.502 20 0 JJADRN Cc1c(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)nnn1CCOc1ccc(F)cc1 ZINC001460010045 1067525942 /nfs/dbraw/zinc/52/59/42/1067525942.db2.gz WHYDIICBCNFXMC-UHFFFAOYSA-N 0 0 451.527 4.797 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(CC3CC3)c2)c1 ZINC001460010423 1067525949 /nfs/dbraw/zinc/52/59/49/1067525949.db2.gz AIMLRMHSGUTQBJ-UHFFFAOYSA-N 0 0 452.580 4.541 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC001460011227 1067526416 /nfs/dbraw/zinc/52/64/16/1067526416.db2.gz NMKMXLGKTBKQHI-NTKDMRAZSA-N 0 0 455.643 4.632 20 0 JJADRN CC(C)CN(C(=O)CSCc1cc(=O)n2ccsc2n1)[C@H](C)c1ccccc1Cl ZINC001460012808 1067526938 /nfs/dbraw/zinc/52/69/38/1067526938.db2.gz BVLBQZJSKATPFG-OAHLLOKOSA-N 0 0 450.029 4.888 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Oc1cnc3ccc(Cl)cc3c1)C2=O ZINC001460015227 1067528150 /nfs/dbraw/zinc/52/81/50/1067528150.db2.gz APIYTHOAUWDXCG-UHFFFAOYSA-N 0 0 457.958 4.711 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2noc(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC001460015926 1067528702 /nfs/dbraw/zinc/52/87/02/1067528702.db2.gz IXKGIYNYWDQEBT-AZUAARDMSA-N 0 0 456.493 4.508 20 0 JJADRN COc1cc(OC)c(NC(=O)CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Cl ZINC001460016011 1067528780 /nfs/dbraw/zinc/52/87/80/1067528780.db2.gz JFFYKNCIANMDEX-QGZVFWFLSA-N 0 0 455.235 4.981 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC001460015883 1067528851 /nfs/dbraw/zinc/52/88/51/1067528851.db2.gz BKZAKOXEOYZIEA-GOSISDBHSA-N 0 0 455.352 4.851 20 0 JJADRN Clc1cc(I)ccc1CN1CCC(N2CCc3ccccc32)CC1 ZINC001460017008 1067529116 /nfs/dbraw/zinc/52/91/16/1067529116.db2.gz BAWPSLYNPLHAMV-UHFFFAOYSA-N 0 0 452.767 4.972 20 0 JJADRN O=C1[C@@H](N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)CCN1c1c(F)cccc1F ZINC001460016703 1067529168 /nfs/dbraw/zinc/52/91/68/1067529168.db2.gz LLOBSRUGFRKLOC-KRWDZBQOSA-N 0 0 458.402 4.930 20 0 JJADRN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC001460017546 1067529200 /nfs/dbraw/zinc/52/92/00/1067529200.db2.gz GIMTYCWWRFCFDT-UHFFFAOYSA-N 0 0 452.954 4.938 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3cnc4ccc(Cl)cc4c3)cc2)C1 ZINC001460017791 1067529373 /nfs/dbraw/zinc/52/93/73/1067529373.db2.gz IENMDUVJRRKOED-HZPDHXFCSA-N 0 0 458.967 4.774 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)CN(C)Cc3cc(C(C)(C)C)n[nH]3)n(-c3ccccc3)n2)cc1 ZINC001460017741 1067529575 /nfs/dbraw/zinc/52/95/75/1067529575.db2.gz HFVCZXMADVMRSS-UHFFFAOYSA-N 0 0 456.594 4.939 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCCCCc1ccc(Cl)s1 ZINC001460018995 1067530253 /nfs/dbraw/zinc/53/02/53/1067530253.db2.gz RJRHEHSPDVQOGR-VGOFRKELSA-N 0 0 459.999 4.813 20 0 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ZINC001460024247 1067532369 /nfs/dbraw/zinc/53/23/69/1067532369.db2.gz LXIMIHOMFJQWQR-VQTJNVASSA-N 0 0 452.382 4.716 20 0 JJADRN CC(=O)N1CCN(c2cccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)c2C)C1=O ZINC001460025595 1067532712 /nfs/dbraw/zinc/53/27/12/1067532712.db2.gz XGHLHSBJUDYPIE-UHFFFAOYSA-N 0 0 459.468 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCc4ccc(Br)cc4C3)ccc21 ZINC001460027327 1067533024 /nfs/dbraw/zinc/53/30/24/1067533024.db2.gz APCYPKUOBJRLIX-UHFFFAOYSA-N 0 0 457.368 4.945 20 0 JJADRN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460026795 1067533183 /nfs/dbraw/zinc/53/31/83/1067533183.db2.gz MGAINTXHXADDHI-QGZVFWFLSA-N 0 0 457.958 4.665 20 0 JJADRN CC(C)C(=O)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 ZINC001460030785 1067534104 /nfs/dbraw/zinc/53/41/04/1067534104.db2.gz XKQSACXQMNNUIL-PGRDOPGGSA-N 0 0 454.567 4.962 20 0 JJADRN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC001460030159 1067534122 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Cc1ccc(-c2csc(NC(=O)CN3CCOc4c(Br)cccc4C3)n2)cc1 ZINC001460047952 1067538956 /nfs/dbraw/zinc/53/89/56/1067538956.db2.gz DOMANDJIWXNINL-UHFFFAOYSA-N 0 0 458.381 4.714 20 0 JJADRN CC[C@H](C(=O)OC(C)(C)C)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001460053888 1067540304 /nfs/dbraw/zinc/54/03/04/1067540304.db2.gz JAELPRDWZWKNIO-QGZVFWFLSA-N 0 0 450.377 4.799 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC001460056891 1067540697 /nfs/dbraw/zinc/54/06/97/1067540697.db2.gz SGCYBEHCUFMLBS-IAGOWNOFSA-N 0 0 454.379 4.569 20 0 JJADRN Cn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cn1 ZINC001460056321 1067540969 /nfs/dbraw/zinc/54/09/69/1067540969.db2.gz OWIOOBRKWVHPEC-ADXZGYQBSA-N 0 0 450.391 4.825 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN(CCc3ccccc3)Cc3cccnc3)s2)cc1 ZINC001460057325 1067541384 /nfs/dbraw/zinc/54/13/84/1067541384.db2.gz HXIMIHGFCPHXPA-UHFFFAOYSA-N 0 0 457.603 4.993 20 0 JJADRN Cc1cc(F)c(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1F ZINC001460058683 1067541393 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4.835 20 0 JJADRN Cc1c(NC(=O)CCCOc2cccc(Cl)c2Cl)cccc1N1C(=O)N[C@H](C)C1=O ZINC001460061152 1067542495 /nfs/dbraw/zinc/54/24/95/1067542495.db2.gz ISPDRUSLPZVUOR-CYBMUJFWSA-N 0 0 450.322 4.544 20 0 JJADRN CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001460061360 1067542550 /nfs/dbraw/zinc/54/25/50/1067542550.db2.gz ONZRFICQXYVFSL-UHFFFAOYSA-N 0 0 450.882 4.669 20 0 JJADRN CCOC(=O)c1sc2[nH]c([C@@H](C)N3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064500 1067543637 /nfs/dbraw/zinc/54/36/37/1067543637.db2.gz KCZKDLHTTGZQHN-VQIMIIECSA-N 0 0 453.608 4.973 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)cc1OCC ZINC001460063862 1067543687 /nfs/dbraw/zinc/54/36/87/1067543687.db2.gz VMRYDVPYZKPPSL-UHFFFAOYSA-N 0 0 459.930 4.535 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C)c1ccc(F)c(I)c1 ZINC001460064310 1067543704 /nfs/dbraw/zinc/54/37/04/1067543704.db2.gz ZWOFZHIPRWHXPV-NXEZZACHSA-N 0 0 450.194 4.780 20 0 JJADRN CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001460065473 1067544075 /nfs/dbraw/zinc/54/40/75/1067544075.db2.gz GIPCLUWXTRZYKO-BZOKKMKFSA-N 0 0 458.451 4.864 20 0 JJADRN CCCCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CCCC[C@H]1OC ZINC001460066516 1067544080 /nfs/dbraw/zinc/54/40/80/1067544080.db2.gz CLNNBVZFYJKFLJ-QZTJIDSGSA-N 0 0 454.434 4.955 20 0 JJADRN COc1ccc(C(=O)N(CC(C)C)c2cccc(Cl)c2)cc1S(=O)(=O)NC(C)(C)C ZINC001460068010 1067545239 /nfs/dbraw/zinc/54/52/39/1067545239.db2.gz KDMWNIKAQRDJOQ-UHFFFAOYSA-N 0 0 453.004 4.728 20 0 JJADRN CCN(CC(=O)N1CCCCCC1)Cc1cccc(OCC(F)(F)F)c1Br ZINC001460068608 1067545298 /nfs/dbraw/zinc/54/52/98/1067545298.db2.gz JKYBFNWTLMJSID-UHFFFAOYSA-N 0 0 451.327 4.615 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068254 1067545322 /nfs/dbraw/zinc/54/53/22/1067545322.db2.gz KTDQSXGEJCGDCB-SFHVURJKSA-N 0 0 450.377 4.937 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)CCCCC2)cc1 ZINC001460070354 1067545669 /nfs/dbraw/zinc/54/56/69/1067545669.db2.gz ISNNCCPSKGKVGL-PMACEKPBSA-N 0 0 450.545 4.881 20 0 JJADRN CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001460071370 1067546036 /nfs/dbraw/zinc/54/60/36/1067546036.db2.gz WEGGHGGJOMIAHE-DNQXCXABSA-N 0 0 458.624 4.712 20 0 JJADRN COc1ccc(-c2nc(CN3CCC[C@@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072583 1067546379 /nfs/dbraw/zinc/54/63/79/1067546379.db2.gz SBTKHUCHXPJTRK-LJQANCHMSA-N 0 0 459.612 4.851 20 0 JJADRN O=C(CN1CCCC[C@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073237 1067546410 /nfs/dbraw/zinc/54/64/10/1067546410.db2.gz XFPBZNTVVCJRLO-QFIPXVFZSA-N 0 0 451.567 4.894 20 0 JJADRN COC(=O)[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(OC)c(Cl)c1 ZINC001460073595 1067546806 /nfs/dbraw/zinc/54/68/06/1067546806.db2.gz IPHRLWOLCUJUOC-BJKOFHAPSA-N 0 0 458.986 4.590 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 ZINC001460075155 1067547179 /nfs/dbraw/zinc/54/71/79/1067547179.db2.gz VPXMHKGSRKACTN-HNNXBMFYSA-N 0 0 458.584 4.926 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1(Cc2ccccc2)CCOCC1 ZINC001460075665 1067547635 /nfs/dbraw/zinc/54/76/35/1067547635.db2.gz OHCPJKZTTXWSIS-UHFFFAOYSA-N 0 0 456.995 4.826 20 0 JJADRN COCC[C@@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc(C(F)(F)F)c1 ZINC001460076165 1067547690 /nfs/dbraw/zinc/54/76/90/1067547690.db2.gz LQRXXMYRLGLBTF-HXUWFJFHSA-N 0 0 459.468 4.585 20 0 JJADRN COC(=O)[C@H](NCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(Cl)c1 ZINC001460080186 1067548474 /nfs/dbraw/zinc/54/84/74/1067548474.db2.gz UWRVTFMPDXIATA-HXUWFJFHSA-N 0 0 454.995 4.580 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 ZINC001460079355 1067548486 /nfs/dbraw/zinc/54/84/86/1067548486.db2.gz UDTZGAGZAZAFNX-XZOQPEGZSA-N 0 0 479.374 4.925 20 0 JJADRN COc1ccccc1O[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001460081472 1067548876 /nfs/dbraw/zinc/54/88/76/1067548876.db2.gz ZNNHGRRLTSBEAN-IRLDBZIGSA-N 0 0 458.558 4.797 20 0 JJADRN CCOC(=O)[C@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1F ZINC001460082391 1067548886 /nfs/dbraw/zinc/54/88/86/1067548886.db2.gz UGJWIFAWZYVPQV-FXAWDEMLSA-N 0 0 454.336 4.951 20 0 JJADRN COCC[C@@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC001460081304 1067549071 /nfs/dbraw/zinc/54/90/71/1067549071.db2.gz VVRJYFNPTXTKLG-MRXNPFEDSA-N 0 0 457.518 4.583 20 0 JJADRN COC(=O)c1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460083899 1067549794 /nfs/dbraw/zinc/54/97/94/1067549794.db2.gz XAYREKXYDMGZDV-GOSISDBHSA-N 0 0 454.741 4.594 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)CN3CCOC[C@H]3[C@@H]3CCCO3)n2)cc1 ZINC001460087202 1067550623 /nfs/dbraw/zinc/55/06/23/1067550623.db2.gz XEFJTPJDAWORQM-GOTSBHOMSA-N 0 0 457.640 4.751 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001460089863 1067551666 /nfs/dbraw/zinc/55/16/66/1067551666.db2.gz YROFKWWGJLTTTC-UHFFFAOYSA-N 0 0 458.509 4.584 20 0 JJADRN Brc1ccc2c(c1)CN(Cc1cc3c(cc1Br)OCCCO3)CC2 ZINC001460096751 1067553896 /nfs/dbraw/zinc/55/38/96/1067553896.db2.gz WUQOHMFNNLDOCA-UHFFFAOYSA-N 0 0 453.174 4.931 20 0 JJADRN FC(F)Oc1ccc(-n2nnnc2CN(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC001460097537 1067554429 /nfs/dbraw/zinc/55/44/29/1067554429.db2.gz FVIQKFZSBKYQQX-UHFFFAOYSA-N 0 0 453.415 4.695 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CCS1 ZINC001546113872 1067555192 /nfs/dbraw/zinc/55/51/92/1067555192.db2.gz NHGXAROUPNPHSC-UHFFFAOYSA-N 0 0 467.687 4.933 20 0 JJADRN CC(C)(C)c1nnc(NC(=O)CN[C@@H](Cc2ccccc2)c2nc3ccccc3s2)s1 ZINC001460103610 1067555434 /nfs/dbraw/zinc/55/54/34/1067555434.db2.gz PAMOQUNLLWCVSC-KRWDZBQOSA-N 0 0 451.621 4.957 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2cc(N3CCOCC3)ccc2Br)c1 ZINC001460104544 1067555902 /nfs/dbraw/zinc/55/59/02/1067555902.db2.gz HEMGXOFWXHITLR-UHFFFAOYSA-N 0 0 454.162 4.609 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1S(=O)(=O)NC1CCCC1 ZINC001460104258 1067555913 /nfs/dbraw/zinc/55/59/13/1067555913.db2.gz HTVYSXFMPUCDTI-ISKFKSNPSA-N 0 0 454.636 4.920 20 0 JJADRN O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001460108194 1067556565 /nfs/dbraw/zinc/55/65/65/1067556565.db2.gz YOQDXDGJGCNFNG-VWPQPMDRSA-N 0 0 456.533 4.983 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCCOc1ccc(Cl)c(F)c1 ZINC001460111189 1067557278 /nfs/dbraw/zinc/55/72/78/1067557278.db2.gz FQXUOIJKNORRPZ-HNNXBMFYSA-N 0 0 458.755 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CN3CCC[C@@H](C(F)(F)F)[C@H]3C(F)(F)F)C2)CC1 ZINC001460112330 1067557351 /nfs/dbraw/zinc/55/73/51/1067557351.db2.gz VAEQQUAYNOCQOC-XHSDSOJGSA-N 0 0 474.486 4.998 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001460115588 1067558271 /nfs/dbraw/zinc/55/82/71/1067558271.db2.gz ZDXBTNWRUFQZNP-NZQKXSOJSA-N 0 0 450.608 4.767 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC001460114903 1067558411 /nfs/dbraw/zinc/55/84/11/1067558411.db2.gz RTSTYIYMGQUIOS-MJGOQNOKSA-N 0 0 475.374 4.622 20 0 JJADRN C[C@]1(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1(Cl)Cl ZINC001460117515 1067558636 /nfs/dbraw/zinc/55/86/36/1067558636.db2.gz CEKVQAWCQSYRBR-ACJLOTCBSA-N 0 0 452.209 4.936 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)ncc1Br ZINC001460117147 1067558722 /nfs/dbraw/zinc/55/87/22/1067558722.db2.gz BGWLPJYEIHKIKM-UHFFFAOYSA-N 0 0 453.312 4.649 20 0 JJADRN Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460121676 1067559408 /nfs/dbraw/zinc/55/94/08/1067559408.db2.gz AGSUZVVQAAZWCA-MFKMUULPSA-N 0 0 458.200 4.751 20 0 JJADRN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CCO1 ZINC001460121561 1067559416 /nfs/dbraw/zinc/55/94/16/1067559416.db2.gz HUUKKSREFDIUPA-PBHICJAKSA-N 0 0 451.470 4.697 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001460122790 1067559716 /nfs/dbraw/zinc/55/97/16/1067559716.db2.gz LRPHWCBLDYFHTR-UYHHGJEOSA-N 0 0 457.279 4.734 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001460126224 1067560430 /nfs/dbraw/zinc/56/04/30/1067560430.db2.gz BFZFOTPGOAKIID-UKRRQHHQSA-N 0 0 457.361 4.584 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC001460132744 1067561204 /nfs/dbraw/zinc/56/12/04/1067561204.db2.gz QGSKLUJPELVOHV-SFHVURJKSA-N 0 0 456.970 4.504 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1csc(CCC(C)C)n1 ZINC001460132835 1067561261 /nfs/dbraw/zinc/56/12/61/1067561261.db2.gz CMIUBCOYAKFSSW-IBGZPJMESA-N 0 0 455.418 4.849 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 ZINC001460136290 1067562355 /nfs/dbraw/zinc/56/23/55/1067562355.db2.gz QEFVCPSGCHMXCV-XMMPIXPASA-N 0 0 452.501 4.745 20 0 JJADRN C[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460138363 1067563206 /nfs/dbraw/zinc/56/32/06/1067563206.db2.gz QEXZKGJNPNCXDB-SCLBCKFNSA-N 0 0 457.290 4.868 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)s1 ZINC001460141117 1067563518 /nfs/dbraw/zinc/56/35/18/1067563518.db2.gz HKJWDWIEZALKDN-PBHICJAKSA-N 0 0 456.534 4.690 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142272 1067563533 /nfs/dbraw/zinc/56/35/33/1067563533.db2.gz BCXBKZKMMOQOLG-BZSNNMDCSA-N 0 0 455.624 4.651 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142277 1067563576 /nfs/dbraw/zinc/56/35/76/1067563576.db2.gz BCXBKZKMMOQOLG-OKZBNKHCSA-N 0 0 455.624 4.651 20 0 JJADRN C[C@@H]1CN(c2cccc(Cl)c2)CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC001460143747 1067563798 /nfs/dbraw/zinc/56/37/98/1067563798.db2.gz WULDNUPZYQCKCV-GFCCVEGCSA-N 0 0 453.793 4.925 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1 ZINC001460152029 1067566079 /nfs/dbraw/zinc/56/60/79/1067566079.db2.gz SLYWZJJLLQMJHM-RUZDIDTESA-N 0 0 451.592 4.511 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c(OC)c1 ZINC001460168099 1067568714 /nfs/dbraw/zinc/56/87/14/1067568714.db2.gz UBJLJLOVRFFGCE-MRXNPFEDSA-N 0 0 454.592 4.743 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCc2c(F)ccc(Br)c2C1 ZINC001460169697 1067569261 /nfs/dbraw/zinc/56/92/61/1067569261.db2.gz BTCSYUSSPOHPQM-LLVKDONJSA-N 0 0 456.153 4.736 20 0 JJADRN Cc1nc(C(F)(F)F)c(CN[C@@H](C)c2ccc(Br)cc2OCCCO)s1 ZINC001460171236 1067569557 /nfs/dbraw/zinc/56/95/57/1067569557.db2.gz IXAKMVONRGMXBV-JTQLQIEISA-N 0 0 453.324 4.845 20 0 JJADRN Cc1ccc(C2=NN(C(=O)CN[C@H](CCO)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 ZINC001460172543 1067570194 /nfs/dbraw/zinc/57/01/94/1067570194.db2.gz ONVFYKJRAQCJGU-FYYLOGMGSA-N 0 0 451.954 4.632 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC001460174654 1067570519 /nfs/dbraw/zinc/57/05/19/1067570519.db2.gz AZLIYZVQTMVXHQ-WBVHZDCISA-N 0 0 459.534 4.962 20 0 JJADRN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC001460174653 1067570654 /nfs/dbraw/zinc/57/06/54/1067570654.db2.gz AZLIYZVQTMVXHQ-RDJZCZTQSA-N 0 0 459.534 4.962 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174847 1067570935 /nfs/dbraw/zinc/57/09/35/1067570935.db2.gz KGFJWJGOZDWYTC-INIZCTEOSA-N 0 0 456.608 4.804 20 0 JJADRN COc1ccc([C@H](C)NCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)c1OC ZINC001460177637 1067571438 /nfs/dbraw/zinc/57/14/38/1067571438.db2.gz RRLCRVBIDIBNQM-LBPRGKRZSA-N 0 0 455.868 4.511 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)Nc2nc3cc(Br)ccn3n2)cc1 ZINC001460180982 1067572606 /nfs/dbraw/zinc/57/26/06/1067572606.db2.gz HAPOSMHBCUXIPW-UHFFFAOYSA-N 0 0 450.340 4.771 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CC1 ZINC001460184208 1067573855 /nfs/dbraw/zinc/57/38/55/1067573855.db2.gz ZDWXVFJMSYDZHO-UHFFFAOYSA-N 0 0 456.789 4.852 20 0 JJADRN CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(CC)cc1 ZINC001460188047 1067574898 /nfs/dbraw/zinc/57/48/98/1067574898.db2.gz GVDZNMBBTWYEPP-UHFFFAOYSA-N 0 0 454.636 4.582 20 0 JJADRN COC[C@@H](CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC001460189778 1067575032 /nfs/dbraw/zinc/57/50/32/1067575032.db2.gz UPZJGZUXFFVSMP-MRXNPFEDSA-N 0 0 454.876 4.646 20 0 JJADRN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001460191276 1067575320 /nfs/dbraw/zinc/57/53/20/1067575320.db2.gz WNYBRAQPOBDODM-LJQANCHMSA-N 0 0 450.583 4.876 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460196265 1067576561 /nfs/dbraw/zinc/57/65/61/1067576561.db2.gz KQETZDZLCHLYKV-VXKWHMMOSA-N 0 0 453.583 4.989 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@H]3CCO[C@H](C(C)C)C3)cc2Br)no1 ZINC001460198338 1067577267 /nfs/dbraw/zinc/57/72/67/1067577267.db2.gz CNWHGAICAMIAHC-YWZLYKJASA-N 0 0 451.361 4.506 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@H]3CCO[C@@H](C(C)C)C3)cc2Br)no1 ZINC001460198323 1067577355 /nfs/dbraw/zinc/57/73/55/1067577355.db2.gz CNWHGAICAMIAHC-MGPUTAFESA-N 0 0 451.361 4.506 20 0 JJADRN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199180 1067577604 /nfs/dbraw/zinc/57/76/04/1067577604.db2.gz XKQRQTKDZHPQKH-QZTJIDSGSA-N 0 0 453.327 4.844 20 0 JJADRN CC[C@H](NC(=O)CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 ZINC001460199444 1067577701 /nfs/dbraw/zinc/57/77/01/1067577701.db2.gz YCTHVEARCVONGY-PMACEKPBSA-N 0 0 456.892 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC001460200782 1067577830 /nfs/dbraw/zinc/57/78/30/1067577830.db2.gz WFQAAUGTYQKGOH-INIZCTEOSA-N 0 0 456.414 4.901 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C[C@@H]1C ZINC001460203677 1067578127 /nfs/dbraw/zinc/57/81/27/1067578127.db2.gz MYBRUKYOQHQDPC-RLFYNMQTSA-N 0 0 457.621 4.569 20 0 JJADRN CC[C@@H]1C[C@H]1CNC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001460202924 1067578279 /nfs/dbraw/zinc/57/82/79/1067578279.db2.gz IJHLFLGHKACUBN-YTZAWJCFSA-N 0 0 452.620 4.809 20 0 JJADRN CO[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C[C@H]1C ZINC001460203674 1067578359 /nfs/dbraw/zinc/57/83/59/1067578359.db2.gz MYBRUKYOQHQDPC-IIDMSEBBSA-N 0 0 457.621 4.569 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209035 1067579737 /nfs/dbraw/zinc/57/97/37/1067579737.db2.gz YDRDMTRNTCEAEV-MJGOQNOKSA-N 0 0 458.628 4.540 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)OC)CCS1 ZINC001546114666 1067580389 /nfs/dbraw/zinc/58/03/89/1067580389.db2.gz BHFBYTMTDLDQKS-SFHVURJKSA-N 0 0 462.660 4.888 20 0 JJADRN CO[C@@H]1CCC[C@H]1NC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc21 ZINC001460211692 1067580437 /nfs/dbraw/zinc/58/04/37/1067580437.db2.gz WHQNINFLKPLQCB-GDBMZVCRSA-N 0 0 478.437 4.897 20 0 JJADRN CO[C@@](C)(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 ZINC001460213941 1067580936 /nfs/dbraw/zinc/58/09/36/1067580936.db2.gz DUWLVSKHBLBUSR-IBGZPJMESA-N 0 0 451.411 4.855 20 0 JJADRN CO[C@](C)(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 ZINC001460213949 1067581034 /nfs/dbraw/zinc/58/10/34/1067581034.db2.gz DUWLVSKHBLBUSR-LJQANCHMSA-N 0 0 451.411 4.855 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(O)cc2)CCS1 ZINC001546114689 1067581255 /nfs/dbraw/zinc/58/12/55/1067581255.db2.gz BVIBWGNJNFTDCZ-UHFFFAOYSA-N 0 0 476.444 4.902 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@](=O)C(C)(C)C)CCS1 ZINC001546114695 1067581508 /nfs/dbraw/zinc/58/15/08/1067581508.db2.gz CBKFQUQUMHJSCX-XIFFEERXSA-N 0 0 494.727 4.622 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCO2)CCS1 ZINC001546114735 1067582064 /nfs/dbraw/zinc/58/20/64/1067582064.db2.gz DZHXKGMWEMOEKE-GOSISDBHSA-N 0 0 465.461 4.999 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)COC)CCS1 ZINC001546114725 1067582084 /nfs/dbraw/zinc/58/20/84/1067582084.db2.gz DCWXGUVNYXRTCR-MRXNPFEDSA-N 0 0 454.587 4.941 20 0 JJADRN CC(C)(C)c1ccc(Oc2ccc(C(=O)OCc3cn(CCc4ccccn4)nn3)cn2)cc1 ZINC001460219031 1067582322 /nfs/dbraw/zinc/58/23/22/1067582322.db2.gz XCFOULVGRALPSO-UHFFFAOYSA-N 0 0 457.534 4.758 20 0 JJADRN Cc1ccc(-c2cnc(CN(Cc3ccccc3)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)o2)cc1 ZINC001460218499 1067582353 /nfs/dbraw/zinc/58/23/53/1067582353.db2.gz NKBIRJLKOZRDRJ-DHIUTWEWSA-N 0 0 463.578 4.632 20 0 JJADRN Cc1sc(NC(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)nc1C1CCCCC1 ZINC001460219481 1067582508 /nfs/dbraw/zinc/58/25/08/1067582508.db2.gz XLYIXQKNFJILCU-UHFFFAOYSA-N 0 0 451.539 4.697 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460220597 1067582844 /nfs/dbraw/zinc/58/28/44/1067582844.db2.gz RCUJXBSTKBJBRW-IBGZPJMESA-N 0 0 456.986 4.532 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC001460222117 1067583050 /nfs/dbraw/zinc/58/30/50/1067583050.db2.gz USFXNOWZFBQFRB-INIZCTEOSA-N 0 0 457.571 4.730 20 0 JJADRN C[C@@H]1[C@@H](CO)CCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225903 1067583746 /nfs/dbraw/zinc/58/37/46/1067583746.db2.gz IGWNYXKVYXWOKV-WIYYLYMNSA-N 0 0 453.583 4.575 20 0 JJADRN C[C@H]1[C@H](CO)CCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001460225898 1067583876 /nfs/dbraw/zinc/58/38/76/1067583876.db2.gz IGWNYXKVYXWOKV-RXVVDRJESA-N 0 0 453.583 4.575 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001460225792 1067583966 /nfs/dbraw/zinc/58/39/66/1067583966.db2.gz RFWGELFDRCHIET-UHFFFAOYSA-N 0 0 450.757 4.927 20 0 JJADRN CC(C)c1ccc(OCCC(=O)NCc2c(Br)cncc2Br)cc1 ZINC001460227656 1067584198 /nfs/dbraw/zinc/58/41/98/1067584198.db2.gz PDHURNSRGWFROD-UHFFFAOYSA-N 0 0 456.178 4.815 20 0 JJADRN O=C(NCc1c(Br)cncc1Br)c1ncsc1-c1ccccc1 ZINC001460228282 1067584288 /nfs/dbraw/zinc/58/42/88/1067584288.db2.gz SBDXADMXJRSYJB-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)cc2)C1 ZINC001460228052 1067584300 /nfs/dbraw/zinc/58/43/00/1067584300.db2.gz APAFOMZGMXNSNS-FQEVSTJZSA-N 0 0 454.014 4.674 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC2(c3cccc(Cl)c3)CCCCC2)no1 ZINC001460228234 1067584316 /nfs/dbraw/zinc/58/43/16/1067584316.db2.gz GKCJBTRXIACTQZ-MRXNPFEDSA-N 0 0 450.004 4.715 20 0 JJADRN CC[C@@H](C)c1ccccc1OCC(=O)NCc1c(Br)cncc1Br ZINC001460228058 1067584362 /nfs/dbraw/zinc/58/43/62/1067584362.db2.gz QTWODVHBXNEGDH-GFCCVEGCSA-N 0 0 456.178 4.815 20 0 JJADRN Cc1ccc(C(C)C)c(OCC(=O)NCc2c(Br)cncc2Br)c1 ZINC001460228418 1067584577 /nfs/dbraw/zinc/58/45/77/1067584577.db2.gz TVULDNPXHWXZOV-UHFFFAOYSA-N 0 0 456.178 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001460228584 1067584626 /nfs/dbraw/zinc/58/46/26/1067584626.db2.gz DARRAROAXPMZKU-CEMLEFRQSA-N 0 0 462.606 4.878 20 0 JJADRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001460229990 1067584974 /nfs/dbraw/zinc/58/49/74/1067584974.db2.gz LPMVSTFWFOJPQR-MRXNPFEDSA-N 0 0 451.723 4.786 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC001460231169 1067585440 /nfs/dbraw/zinc/58/54/40/1067585440.db2.gz JUTZKQNLXAFHDK-UXHICEINSA-N 0 0 451.007 4.588 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001460232443 1067585723 /nfs/dbraw/zinc/58/57/23/1067585723.db2.gz OVBQZQPOMMZXAE-IFMALSPDSA-N 0 0 453.558 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001460233735 1067586147 /nfs/dbraw/zinc/58/61/47/1067586147.db2.gz TZOOIHVEJQCEHZ-CEMLEFRQSA-N 0 0 462.606 4.878 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2NC(=O)CC2(C)C)CCS1 ZINC001546114959 1067586241 /nfs/dbraw/zinc/58/62/41/1067586241.db2.gz MHEQDJIHHFLMBY-GOSISDBHSA-N 0 0 493.624 4.573 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1cccc(F)c1 ZINC001460236012 1067586914 /nfs/dbraw/zinc/58/69/14/1067586914.db2.gz UJMGBHMVJOHNRF-CZTZKLFOSA-N 0 0 473.976 4.577 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)C3(c4cc(Br)ccc4OC)CC3)C2)cc1 ZINC001460238302 1067587622 /nfs/dbraw/zinc/58/76/22/1067587622.db2.gz CQKZLEQXNMHNRZ-SFHVURJKSA-N 0 0 458.396 4.979 20 0 JJADRN C[C@H](NC(=O)[C@H](C)N(C)C[C@@H](O)c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001460238517 1067587649 /nfs/dbraw/zinc/58/76/49/1067587649.db2.gz QLGPIEKMKVVADJ-HKARXFIJSA-N 0 0 455.396 4.833 20 0 JJADRN CSc1ccccc1OC[C@@H](O)CN(Cc1ncc(Br)cc1Cl)C(C)C ZINC001460237701 1067587897 /nfs/dbraw/zinc/58/78/97/1067587897.db2.gz BCUBUEBMHDLTNL-HNNXBMFYSA-N 0 0 459.837 4.870 20 0 JJADRN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC001460238521 1067588302 /nfs/dbraw/zinc/58/83/02/1067588302.db2.gz QLGPIEKMKVVADJ-YGKZAACZSA-N 0 0 455.396 4.833 20 0 JJADRN CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460242995 1067589553 /nfs/dbraw/zinc/58/95/53/1067589553.db2.gz VMKKOXVBMVNZRY-QPTUXGOLSA-N 0 0 469.601 4.868 20 0 JJADRN CN(Cc1noc(-c2cccc(Cl)c2Cl)n1)C[C@H](O)c1ccccc1Br ZINC001460243365 1067589590 /nfs/dbraw/zinc/58/95/90/1067589590.db2.gz DGLMFDGYDMDSIE-HNNXBMFYSA-N 0 0 457.155 4.971 20 0 JJADRN CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@@H](O)c1ccccc1Br ZINC001460244154 1067589859 /nfs/dbraw/zinc/58/98/59/1067589859.db2.gz FYEJLWKBTFEZES-JOCHJYFZSA-N 0 0 455.352 4.845 20 0 JJADRN Cn1c(CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460243791 1067590010 /nfs/dbraw/zinc/59/00/10/1067590010.db2.gz WJWCKNRTZRAVTA-FXAWDEMLSA-N 0 0 458.965 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1(C)C ZINC001460247328 1067590795 /nfs/dbraw/zinc/59/07/95/1067590795.db2.gz PCUZTPMLCBFHNC-UHFFFAOYSA-N 0 0 450.377 4.935 20 0 JJADRN CC(C)Cc1nc(C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)cs1 ZINC001460252030 1067591495 /nfs/dbraw/zinc/59/14/95/1067591495.db2.gz QVKUGQGDRSVXAG-HNNXBMFYSA-N 0 0 454.377 4.651 20 0 JJADRN CC(=O)N(c1nc(CN2CCNC(=O)[C@H]2CC2CCCCC2)cs1)c1ccc(C)c(C)c1 ZINC001460251925 1067591577 /nfs/dbraw/zinc/59/15/77/1067591577.db2.gz BEFDYCHDPJUOHC-HSZRJFAPSA-N 0 0 454.640 4.715 20 0 JJADRN CC[C@@H](CNc1ccccc1)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001460254703 1067592191 /nfs/dbraw/zinc/59/21/91/1067592191.db2.gz VKWNRVCHZXTMPV-NRFANRHFSA-N 0 0 452.576 4.692 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CCS1 ZINC001546115100 1067592467 /nfs/dbraw/zinc/59/24/67/1067592467.db2.gz RYFHYUMTYHOPIM-SANMLTNESA-N 0 0 488.698 4.682 20 0 JJADRN OCC1([C@@H](NCc2ncc(-c3ccccc3Br)o2)c2ccccc2)CCOCC1 ZINC001460257076 1067592482 /nfs/dbraw/zinc/59/24/82/1067592482.db2.gz ZBJYRRGSNJVBEI-QFIPXVFZSA-N 0 0 457.368 4.724 20 0 JJADRN COC(=O)c1ccc(Br)cc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001460257348 1067592595 /nfs/dbraw/zinc/59/25/95/1067592595.db2.gz LKQZHVYPMCANLL-UHFFFAOYSA-N 0 0 453.264 4.890 20 0 JJADRN COCCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1ccc(F)c(Cl)c1 ZINC001460258879 1067592918 /nfs/dbraw/zinc/59/29/18/1067592918.db2.gz ZJTIDGAPULZIAR-UHFFFAOYSA-N 0 0 458.965 4.677 20 0 JJADRN COc1cc(-c2noc(CN3C[C@@H](NC(=O)OC(C)(C)C)Cc4ccccc43)n2)ccc1C ZINC001460263495 1067593327 /nfs/dbraw/zinc/59/33/27/1067593327.db2.gz KMRVPGHKGPFXOD-IBGZPJMESA-N 0 0 450.539 4.510 20 0 JJADRN COc1cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)ccc1Cl ZINC001460261789 1067593332 /nfs/dbraw/zinc/59/33/32/1067593332.db2.gz PKYQTZYCBRCEQL-UHFFFAOYSA-N 0 0 458.363 4.534 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccco2)CCS1 ZINC001546115181 1067594279 /nfs/dbraw/zinc/59/42/79/1067594279.db2.gz VLTVWRFXHJFMJC-OAQYLSRUSA-N 0 0 462.019 4.606 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H]1Cc1ccccc1Br ZINC001460273609 1067595329 /nfs/dbraw/zinc/59/53/29/1067595329.db2.gz YESHYSLEWOFJHS-YJBOKZPZSA-N 0 0 451.355 4.954 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274303 1067595501 /nfs/dbraw/zinc/59/55/01/1067595501.db2.gz FMIFAVZVGFONNK-XJUOHMSHSA-N 0 0 476.539 4.586 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCO2)CCS1 ZINC001546115211 1067596241 /nfs/dbraw/zinc/59/62/41/1067596241.db2.gz WJPUWKBISYVNFY-QGZVFWFLSA-N 0 0 482.492 4.727 20 0 JJADRN COCCCCc1cccnc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC001460280249 1067596961 /nfs/dbraw/zinc/59/69/61/1067596961.db2.gz FHRUEAHCTUDXRU-UHFFFAOYSA-N 0 0 457.372 4.868 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1ccccc1 ZINC001460280985 1067597450 /nfs/dbraw/zinc/59/74/50/1067597450.db2.gz BERQFNLCJLJJJF-SFHVURJKSA-N 0 0 454.395 4.867 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC001460284237 1067598230 /nfs/dbraw/zinc/59/82/30/1067598230.db2.gz DSFLVINQXFCGPM-HNNXBMFYSA-N 0 0 452.389 4.977 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001460283608 1067598258 /nfs/dbraw/zinc/59/82/58/1067598258.db2.gz GSVFAWYLIKFTRI-NSHDSACASA-N 0 0 452.711 4.927 20 0 JJADRN O=C(c1cnc(Br)c(Cl)c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460285321 1067598659 /nfs/dbraw/zinc/59/86/59/1067598659.db2.gz IGRCSWYNXLXKQC-LBPRGKRZSA-N 0 0 458.581 4.965 20 0 JJADRN CCc1nocc1CN(C)C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001460286561 1067598924 /nfs/dbraw/zinc/59/89/24/1067598924.db2.gz QRQYZXOVBBOXOT-UHFFFAOYSA-N 0 0 457.193 4.649 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460287328 1067599300 /nfs/dbraw/zinc/59/93/00/1067599300.db2.gz PMQRDHAQJOQLEF-NZSAHSFTSA-N 0 0 451.405 4.534 20 0 JJADRN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001460288644 1067599670 /nfs/dbraw/zinc/59/96/70/1067599670.db2.gz WYKSJVNBIZIWQI-ZDUSSCGKSA-N 0 0 453.446 4.625 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Oc1cccc(-c2ccncc2)c1 ZINC001460291978 1067599907 /nfs/dbraw/zinc/59/99/07/1067599907.db2.gz ZOLRPEURGKQILL-LJQANCHMSA-N 0 0 450.560 4.839 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCC(C)C)CCS1 ZINC001546115310 1067600608 /nfs/dbraw/zinc/60/06/08/1067600608.db2.gz ZTNPXFNGJNGCOD-DEOSSOPVSA-N 0 0 474.671 4.973 20 0 JJADRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2c(F)cccc2F)CC1 ZINC001460297285 1067600984 /nfs/dbraw/zinc/60/09/84/1067600984.db2.gz VXDWGUKIYYRFET-LJQANCHMSA-N 0 0 451.517 4.693 20 0 JJADRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OCc1ccc(F)cc1 ZINC001460299675 1067601286 /nfs/dbraw/zinc/60/12/86/1067601286.db2.gz BOKMXXZFPDTLQG-QGZVFWFLSA-N 0 0 457.523 4.573 20 0 JJADRN Cc1cc(Cn2nnc(C(=O)O[C@@H](C)c3ccccc3OCc3ccc(F)cc3)c2C)no1 ZINC001460299691 1067601319 /nfs/dbraw/zinc/60/13/19/1067601319.db2.gz CDVISTJLLPUPPA-KRWDZBQOSA-N 0 0 450.470 4.567 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCC[C@H](c3cccnc3)C1)C[C@@H](C)CC2 ZINC001460301162 1067601854 /nfs/dbraw/zinc/60/18/54/1067601854.db2.gz BRAKJHKMFHXETQ-LNLFQRSKSA-N 0 0 455.624 4.651 20 0 JJADRN CC1(C)C(=O)Nc2ccccc2N1C(=O)Cc1ccc(Br)c(Br)c1 ZINC001460305578 1067603331 /nfs/dbraw/zinc/60/33/31/1067603331.db2.gz UICLBZLHGQUNQW-UHFFFAOYSA-N 0 0 452.146 4.518 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1 ZINC001460308854 1067604773 /nfs/dbraw/zinc/60/47/73/1067604773.db2.gz UPIOMMMGORDZAV-UHFFFAOYSA-N 0 0 456.590 4.700 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)OCc3cn(CC(F)(F)c4ccccc4)nn3)o2)cc1 ZINC001460314340 1067605302 /nfs/dbraw/zinc/60/53/02/1067605302.db2.gz JSKVMZXZCJLDOX-UHFFFAOYSA-N 0 0 451.429 4.890 20 0 JJADRN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001460314726 1067605813 /nfs/dbraw/zinc/60/58/13/1067605813.db2.gz WCRPVJWSMFFXAN-HFZDXXHNSA-N 0 0 457.014 4.731 20 0 JJADRN COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315401 1067605845 /nfs/dbraw/zinc/60/58/45/1067605845.db2.gz XUWMSOPDBKSWJC-VBNZEHGJSA-N 0 0 455.769 4.862 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)O[C@H]1CCCc2c(F)cc(F)cc21 ZINC001460323684 1067608099 /nfs/dbraw/zinc/60/80/99/1067608099.db2.gz CSOHZVLFMLOPDV-SFHVURJKSA-N 0 0 456.258 4.607 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)nn1-c1ccccc1Cl ZINC001460324538 1067608519 /nfs/dbraw/zinc/60/85/19/1067608519.db2.gz SXRFONMQEUGMOF-QVKFZJNVSA-N 0 0 451.958 4.887 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2CCCc3c(OC(F)F)cccc32)n1 ZINC001460326059 1067608532 /nfs/dbraw/zinc/60/85/32/1067608532.db2.gz WVTFMJTYIJYGNY-UHFFFAOYSA-N 0 0 450.486 4.546 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CC[C@]2(CC2(F)F)C1 ZINC001460332817 1067609899 /nfs/dbraw/zinc/60/98/99/1067609899.db2.gz KZBXLCMRXHJCNX-FQEVSTJZSA-N 0 0 454.926 4.915 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN(CCO)c2cccc(C(C)C)c2)sc2c1CC[C@H](C)C2 ZINC001460334917 1067610460 /nfs/dbraw/zinc/61/04/60/1067610460.db2.gz ZCZZBOHHVDDJDM-KRWDZBQOSA-N 0 0 458.624 4.610 20 0 JJADRN CC(C)(C)OC(=O)C1(NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CCCCCC1 ZINC001460334878 1067610567 /nfs/dbraw/zinc/61/05/67/1067610567.db2.gz GAAAGZVTMDCAHR-UHFFFAOYSA-N 0 0 452.599 4.713 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ncnc3scc(-c4ccccc4)c32)cs1 ZINC001460342762 1067612410 /nfs/dbraw/zinc/61/24/10/1067612410.db2.gz BNLMQRUOMLFEPI-UHFFFAOYSA-N 0 0 451.577 4.981 20 0 JJADRN Cc1c(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001460343507 1067612749 /nfs/dbraw/zinc/61/27/49/1067612749.db2.gz LRZFQTXBSPOJHN-UHFFFAOYSA-N 0 0 459.859 4.969 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC001460342941 1067612807 /nfs/dbraw/zinc/61/28/07/1067612807.db2.gz DCKPHPNIMHJLNB-ORAYPTAESA-N 0 0 455.860 4.661 20 0 JJADRN O=C(/C=C/SCc1ccco1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001460346530 1067613440 /nfs/dbraw/zinc/61/34/40/1067613440.db2.gz UIAZBBUNGCTTSU-VZUCSPMQSA-N 0 0 454.361 4.836 20 0 JJADRN CCC[C@H](CNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001460348568 1067614275 /nfs/dbraw/zinc/61/42/75/1067614275.db2.gz KBABSKMYLFCEBI-VQTJNVASSA-N 0 0 450.579 4.579 20 0 JJADRN CO[C@H]1COCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC001460350498 1067614430 /nfs/dbraw/zinc/61/44/30/1067614430.db2.gz REPUHNDBOQWYQX-APWZRJJASA-N 0 0 450.398 4.523 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001460351262 1067614462 /nfs/dbraw/zinc/61/44/62/1067614462.db2.gz SFYVBHQGDDSUFA-GUYCJALGSA-N 0 0 451.470 4.738 20 0 JJADRN Cc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)nc(C(F)(F)F)n1 ZINC001460350959 1067614569 /nfs/dbraw/zinc/61/45/69/1067614569.db2.gz OKKBLMHWNOLXRV-UHFFFAOYSA-N 0 0 450.686 4.927 20 0 JJADRN Cc1nc(C(C)C)ccc1COC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001460352340 1067615114 /nfs/dbraw/zinc/61/51/14/1067615114.db2.gz ISZWFZURLBFAGO-UHFFFAOYSA-N 0 0 454.386 4.572 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC001460355171 1067615816 /nfs/dbraw/zinc/61/58/16/1067615816.db2.gz AXBTZGRSBGWVRI-JJNABOQBSA-N 0 0 455.023 4.985 20 0 JJADRN Brc1ccc([C@H]2COCCN2Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC001460356900 1067616964 /nfs/dbraw/zinc/61/69/64/1067616964.db2.gz AGSRPEUXRFLJHV-QGZVFWFLSA-N 0 0 451.162 4.661 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001460360969 1067618377 /nfs/dbraw/zinc/61/83/77/1067618377.db2.gz BZVRQDSYLLCLBI-QTJFZDIUSA-N 0 0 467.766 4.809 20 0 JJADRN O=C(CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)Nc1nc2c(s1)CCCC2 ZINC001460361802 1067618467 /nfs/dbraw/zinc/61/84/67/1067618467.db2.gz OURVXDFHSAYSCP-UHFFFAOYSA-N 0 0 459.830 4.743 20 0 JJADRN Cn1ncc2ccc(CNC(=O)c3ccccc3OCc3cccc(Br)c3)cc21 ZINC001460362549 1067618651 /nfs/dbraw/zinc/61/86/51/1067618651.db2.gz VKIOQEQDIUKIKB-UHFFFAOYSA-N 0 0 450.336 4.845 20 0 JJADRN O=C([N-][C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460364201 1067619060 /nfs/dbraw/zinc/61/90/60/1067619060.db2.gz MEKIYBWDRUHURZ-UNMCSNQZSA-N 0 0 460.471 4.894 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c(Br)c1 ZINC001460368549 1067619892 /nfs/dbraw/zinc/61/98/92/1067619892.db2.gz JNRXBSUNRNPBOD-MRXNPFEDSA-N 0 0 450.348 4.572 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN(C)[C@@H](C)CSc1ccccc1 ZINC001460370799 1067620333 /nfs/dbraw/zinc/62/03/33/1067620333.db2.gz YIPZTORDINKEGN-HNNXBMFYSA-N 0 0 454.377 4.651 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc(Br)ccc2Cl)C1=O ZINC001460372995 1067620887 /nfs/dbraw/zinc/62/08/87/1067620887.db2.gz HMXPBIKLDLOBFA-KZULUSFZSA-N 0 0 453.739 4.724 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(OC(F)F)c(F)c3)s2)cc1 ZINC001460376414 1067621186 /nfs/dbraw/zinc/62/11/86/1067621186.db2.gz OLUOYQPRXDNZHQ-UHFFFAOYSA-N 0 0 450.438 4.680 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001460375525 1067621289 /nfs/dbraw/zinc/62/12/89/1067621289.db2.gz LUNJAPKCBWFWML-UGSOOPFHSA-N 0 0 451.311 4.518 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC001460378154 1067622070 /nfs/dbraw/zinc/62/20/70/1067622070.db2.gz RUPBSECQKYAYKK-VLIAUNLRSA-N 0 0 455.917 4.925 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3Cc4cc(C)ccc4CC3(C)C)cc2)c1 ZINC001460378294 1067622154 /nfs/dbraw/zinc/62/21/54/1067622154.db2.gz SAMBRVGKFMBRPP-UHFFFAOYSA-N 0 0 458.558 4.998 20 0 JJADRN Cc1sc(Br)c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1C ZINC001460378246 1067622191 /nfs/dbraw/zinc/62/21/91/1067622191.db2.gz RXKSAOXUMFILRO-MLGOLLRUSA-N 0 0 453.377 4.749 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001460379631 1067622525 /nfs/dbraw/zinc/62/25/25/1067622525.db2.gz IXZUNYRCIQULFO-KDURUIRLSA-N 0 0 457.014 4.955 20 0 JJADRN COc1ccc2cccc(CC(=O)N(C)CC(=O)NC(c3ccccc3)c3ccccc3)c2c1 ZINC001460381494 1067622923 /nfs/dbraw/zinc/62/29/23/1067622923.db2.gz OEOICXPXJRSTRQ-UHFFFAOYSA-N 0 0 452.554 4.755 20 0 JJADRN Cc1ccc(C(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 ZINC001460383915 1067623285 /nfs/dbraw/zinc/62/32/85/1067623285.db2.gz VXTFFEGXBFPNRA-UHFFFAOYSA-N 0 0 451.364 4.735 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2nc(Cc3ccccc3)no2)cc1 ZINC001460387260 1067623812 /nfs/dbraw/zinc/62/38/12/1067623812.db2.gz BNZCESUOYJLTNE-GOTSBHOMSA-N 0 0 478.593 4.552 20 0 JJADRN C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC001460389446 1067624502 /nfs/dbraw/zinc/62/45/02/1067624502.db2.gz KPFPCRBJVHHALG-NIKGAXFTSA-N 0 0 479.394 4.822 20 0 JJADRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460393320 1067625290 /nfs/dbraw/zinc/62/52/90/1067625290.db2.gz QOPZQBQGTTWQDF-NRFANRHFSA-N 0 0 459.384 4.743 20 0 JJADRN COCCCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(Br)cc2)cn1 ZINC001460395633 1067626032 /nfs/dbraw/zinc/62/60/32/1067626032.db2.gz WDLFOUPNAXTOSQ-UHFFFAOYSA-N 0 0 456.340 4.501 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001460395049 1067626049 /nfs/dbraw/zinc/62/60/49/1067626049.db2.gz DAAWCLCJUANZCF-GOSISDBHSA-N 0 0 451.158 4.687 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CCS1 ZINC001546116010 1067626562 /nfs/dbraw/zinc/62/65/62/1067626562.db2.gz DMBALXVKWDZQPX-UHFFFAOYSA-N 0 0 479.654 4.594 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001460404797 1067627833 /nfs/dbraw/zinc/62/78/33/1067627833.db2.gz WHZYSYGDIKLIRA-IRLDBZIGSA-N 0 0 454.998 4.901 20 0 JJADRN Cc1ccnc(NC(=O)CN(C)CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1 ZINC001460406109 1067628739 /nfs/dbraw/zinc/62/87/39/1067628739.db2.gz BIJVGALNZSDSSG-UHFFFAOYSA-N 0 0 454.983 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)C1 ZINC001460410441 1067629695 /nfs/dbraw/zinc/62/96/95/1067629695.db2.gz XAWAREHSFWCFLZ-KRWDZBQOSA-N 0 0 453.986 4.777 20 0 JJADRN C[C@H](NC(=O)[C@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccc2ccccc2c1 ZINC001460411897 1067630198 /nfs/dbraw/zinc/63/01/98/1067630198.db2.gz SKVUQPMCESIDOP-HOTGVXAUSA-N 0 0 455.480 4.922 20 0 JJADRN C[C@]12CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)C[C@H]1C2(Br)Br ZINC001460414071 1067630742 /nfs/dbraw/zinc/63/07/42/1067630742.db2.gz DFCCGGOSRZXZJA-MJBXVCDLSA-N 0 0 458.021 4.855 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3c[nH]c4ccccc43)n2CCCCCS(C)(=O)=O)CCS1 ZINC001546116121 1067630835 /nfs/dbraw/zinc/63/08/35/1067630835.db2.gz IHEIPMGBIMYOGN-UHFFFAOYSA-N 0 0 489.711 4.753 20 0 JJADRN C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460415963 1067631358 /nfs/dbraw/zinc/63/13/58/1067631358.db2.gz LAZJNZLDFAASFB-MRRJBJDNSA-N 0 0 455.194 4.549 20 0 JJADRN C[C@]12CCN(CCOc3ccccc3Br)C[C@H]1C2(Br)Br ZINC001460418683 1067631707 /nfs/dbraw/zinc/63/17/07/1067631707.db2.gz QMFJZRAQTZBJAB-KGLIPLIRSA-N 0 0 468.027 4.656 20 0 JJADRN C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001460428867 1067633244 /nfs/dbraw/zinc/63/32/44/1067633244.db2.gz ACCPFHAMGZAEKA-QGZVFWFLSA-N 0 0 451.548 4.799 20 0 JJADRN Cn1cc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(-c2cccs2)n1 ZINC001460430828 1067633539 /nfs/dbraw/zinc/63/35/39/1067633539.db2.gz RPMPCEYHGWOELI-UHFFFAOYSA-N 0 0 452.580 4.766 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N3CC[C@](C(=O)OC)(c4ccccc4)C3)cs2)cc1 ZINC001460432152 1067633620 /nfs/dbraw/zinc/63/36/20/1067633620.db2.gz WTKFOWXFMVRJGA-RUZDIDTESA-N 0 0 450.560 4.556 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OC)c2OC)CCS1 ZINC001546116246 1067633646 /nfs/dbraw/zinc/63/36/46/1067633646.db2.gz NBBQUYYBSWCAEZ-UHFFFAOYSA-N 0 0 467.639 4.826 20 0 JJADRN COc1cccc2c1OCC(C(=O)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)=C2 ZINC001460435565 1067634439 /nfs/dbraw/zinc/63/44/39/1067634439.db2.gz HJAQJZBBISUWLI-QHCPKHFHSA-N 0 0 454.998 4.884 20 0 JJADRN COc1cccc2c1OCC(C(=O)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)=C2 ZINC001460435562 1067634453 /nfs/dbraw/zinc/63/44/53/1067634453.db2.gz HJAQJZBBISUWLI-HSZRJFAPSA-N 0 0 454.998 4.884 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437475 1067634769 /nfs/dbraw/zinc/63/47/69/1067634769.db2.gz PSYVPDDMONOOSI-XMMPIXPASA-N 0 0 456.030 4.609 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cccs2)CCS1 ZINC001546116294 1067634876 /nfs/dbraw/zinc/63/48/76/1067634876.db2.gz OZULQEFNJQRARW-JOCHJYFZSA-N 0 0 457.669 4.730 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cccs2)CCS1 ZINC001546116295 1067634880 /nfs/dbraw/zinc/63/48/80/1067634880.db2.gz OZULQEFNJQRARW-QFIPXVFZSA-N 0 0 457.669 4.730 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCc2sc(Br)cc2C1 ZINC001460438737 1067635323 /nfs/dbraw/zinc/63/53/23/1067635323.db2.gz FTRCMOWQRFYMIX-CQSZACIVSA-N 0 0 456.203 4.585 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)c1 ZINC001460443345 1067635765 /nfs/dbraw/zinc/63/57/65/1067635765.db2.gz CMEZTKDATSZWTB-XMMPIXPASA-N 0 0 456.030 4.853 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1scnc1Br ZINC001460447356 1067636659 /nfs/dbraw/zinc/63/66/59/1067636659.db2.gz HICIZYYDVHZDEI-MRXNPFEDSA-N 0 0 456.837 4.932 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457591 1067637511 /nfs/dbraw/zinc/63/75/11/1067637511.db2.gz PELGCXOUYOPXPQ-LJQANCHMSA-N 0 0 450.808 4.870 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCS1 ZINC001546116350 1067637522 /nfs/dbraw/zinc/63/75/22/1067637522.db2.gz QYTBJLGNDAQTIE-IBGZPJMESA-N 0 0 486.686 4.852 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001460460788 1067638089 /nfs/dbraw/zinc/63/80/89/1067638089.db2.gz RVMIPLSJBAMYRY-SWDVRCMSSA-N 0 0 455.913 4.814 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001460460757 1067638116 /nfs/dbraw/zinc/63/81/16/1067638116.db2.gz RVMIPLSJBAMYRY-FBOFTVOISA-N 0 0 455.913 4.814 20 0 JJADRN CN(C)C(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001460462886 1067638472 /nfs/dbraw/zinc/63/84/72/1067638472.db2.gz ACQFZQNBWOFOFG-HSZRJFAPSA-N 0 0 453.995 4.690 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CCS1 ZINC001546116387 1067638618 /nfs/dbraw/zinc/63/86/18/1067638618.db2.gz SMDCMSKKVWIKRO-UHFFFAOYSA-N 0 0 464.639 4.767 20 0 JJADRN O=C(CN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 ZINC001460466268 1067639083 /nfs/dbraw/zinc/63/90/83/1067639083.db2.gz ZAVBDFDJDQMOKW-ISKFKSNPSA-N 0 0 481.518 4.829 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001460465644 1067639129 /nfs/dbraw/zinc/63/91/29/1067639129.db2.gz XYJAXGSVHKHUTE-HYBUGGRVSA-N 0 0 455.913 4.734 20 0 JJADRN O=C(NCc1cccc(N2CCOCC2)c1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001460476644 1067641395 /nfs/dbraw/zinc/64/13/95/1067641395.db2.gz KWUFTRRLLSQFNE-DEOSSOPVSA-N 0 0 454.929 4.752 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC001460477062 1067641446 /nfs/dbraw/zinc/64/14/46/1067641446.db2.gz JQUFCGYTYVJQFH-WOJBJXKFSA-N 0 0 450.348 4.563 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(Cl)c(-n4cccc4)cc3OC)nc21 ZINC001460481201 1067642206 /nfs/dbraw/zinc/64/22/06/1067642206.db2.gz DPBZLIWUICAHCZ-ZDUSSCGKSA-N 0 0 459.955 4.831 20 0 JJADRN Cc1ccccc1[C@H](C)C(=O)Nc1ncc(Br)c(C)c1I ZINC001460479518 1067642284 /nfs/dbraw/zinc/64/22/84/1067642284.db2.gz PDLDGLUQVSOVBR-JTQLQIEISA-N 0 0 459.125 4.808 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 ZINC001460480036 1067642329 /nfs/dbraw/zinc/64/23/29/1067642329.db2.gz NDDKNQIQBRMAHI-UHFFFAOYSA-N 0 0 455.407 4.528 20 0 JJADRN COc1cc(NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc2cccnc21 ZINC001460481027 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453.368 4.662 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C ZINC001460500401 1067645218 /nfs/dbraw/zinc/64/52/18/1067645218.db2.gz OYTVXKNZCDMDJX-UHFFFAOYSA-N 0 0 456.609 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001460495000 1067645254 /nfs/dbraw/zinc/64/52/54/1067645254.db2.gz KSMOFMFNAKORGW-HNNXBMFYSA-N 0 0 455.393 4.515 20 0 JJADRN CCc1ccc([C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)C2)cc1 ZINC001460500569 1067645568 /nfs/dbraw/zinc/64/55/68/1067645568.db2.gz PKGIPAHBJPQLAM-MZLICYQSSA-N 0 0 454.636 4.545 20 0 JJADRN COc1ccc2c(c1)N([C@H](C)C(=O)Nc1ccc(C(=O)Nc3ccccc3OC)cc1)CCC2 ZINC001460512601 1067647194 /nfs/dbraw/zinc/64/71/94/1067647194.db2.gz UYWCMPWGOHFQOU-GOSISDBHSA-N 0 0 459.546 4.736 20 0 JJADRN Cn1cc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(C(F)F)n1 ZINC001460518580 1067647533 /nfs/dbraw/zinc/64/75/33/1067647533.db2.gz DCGDWVOHMPESQJ-UHFFFAOYSA-N 0 0 456.489 4.728 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001460520832 1067648211 /nfs/dbraw/zinc/64/82/11/1067648211.db2.gz JROGBNXCGICHBE-QMTHXVAHSA-N 0 0 458.308 4.708 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C2 ZINC001460521634 1067648646 /nfs/dbraw/zinc/64/86/46/1067648646.db2.gz BNIFLQIKVJPEAJ-AOOOYVTPSA-N 0 0 454.308 4.551 20 0 JJADRN COc1ccc(/C=C/c2ccc(OC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)cc2)cc1 ZINC001460524160 1067649060 /nfs/dbraw/zinc/64/90/60/1067649060.db2.gz JECINSXEKGOTFE-SNAWJCMRSA-N 0 0 451.544 4.772 20 0 JJADRN COc1ccc(CN[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(Br)c1OC ZINC001460523806 1067649157 /nfs/dbraw/zinc/64/91/57/1067649157.db2.gz PNXOSODUSFEKRP-QFIPXVFZSA-N 0 0 450.373 4.813 20 0 JJADRN COc1ccc(Br)c(CC(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)c1 ZINC001460525729 1067650270 /nfs/dbraw/zinc/65/02/70/1067650270.db2.gz MZOKYRILQXBBQQ-UHFFFAOYSA-N 0 0 457.324 4.718 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)NCC3=CCCCC3)cc2)cc1C ZINC001460529978 1067651814 /nfs/dbraw/zinc/65/18/14/1067651814.db2.gz JDZGMFQTBRMWOF-HXUWFJFHSA-N 0 0 456.608 4.512 20 0 JJADRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001460532456 1067652271 /nfs/dbraw/zinc/65/22/71/1067652271.db2.gz MPXYLEIPKURQDI-UHFFFAOYSA-N 0 0 455.362 4.625 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1OC ZINC001460534864 1067652653 /nfs/dbraw/zinc/65/26/53/1067652653.db2.gz SSFSUSASBCPJDF-QWHCGFSZSA-N 0 0 459.896 4.689 20 0 JJADRN CC(C)(NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc2ccccc2s1 ZINC001460536770 1067653243 /nfs/dbraw/zinc/65/32/43/1067653243.db2.gz OGMPIUCNUJNFRI-UHFFFAOYSA-N 0 0 458.587 4.690 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCc3c(F)cccc32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001460558686 1067655942 /nfs/dbraw/zinc/65/59/42/1067655942.db2.gz RSDXYYBHLRNWJK-QHCPKHFHSA-N 0 0 458.599 4.671 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCS1 ZINC001546117298 1067656603 /nfs/dbraw/zinc/65/66/03/1067656603.db2.gz BGWGKEYSYBPZJA-QGZVFWFLSA-N 0 0 451.681 4.913 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](CN2CCN(C)c3cc(Cl)ccc32)c2ccccc2)cc1 ZINC001460565670 1067657132 /nfs/dbraw/zinc/65/71/32/1067657132.db2.gz ICUOAUNQJSYCFN-JOCHJYFZSA-N 0 0 456.011 4.624 20 0 JJADRN COCC(C)(C)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C ZINC001460573424 1067658524 /nfs/dbraw/zinc/65/85/24/1067658524.db2.gz ZCEYDYPSVBGMMD-UHFFFAOYSA-N 0 0 459.443 4.883 20 0 JJADRN COc1ccc(C=CC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1OC ZINC001460574268 1067659084 /nfs/dbraw/zinc/65/90/84/1067659084.db2.gz CSRVSWCDDALBJR-CLFYSBASSA-N 0 0 454.885 4.969 20 0 JJADRN O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001460575099 1067659161 /nfs/dbraw/zinc/65/91/61/1067659161.db2.gz BEUGTZFGQYSMAX-HNNXBMFYSA-N 0 0 453.288 4.863 20 0 JJADRN CCC1(CC)CN(c2nnc(CC(C)C)n2Cc2cccnc2OCC(F)F)CCS1 ZINC001546117408 1067660267 /nfs/dbraw/zinc/66/02/67/1067660267.db2.gz FORIONUEGYDMDN-UHFFFAOYSA-N 0 0 453.603 4.676 20 0 JJADRN C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(N2CCCCC2=O)cc1 ZINC001460580963 1067660565 /nfs/dbraw/zinc/66/05/65/1067660565.db2.gz LITFQHATGXYXCK-INIZCTEOSA-N 0 0 456.468 4.899 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)Cc1sc(-c2ccn(C)n2)nc1C ZINC001460580420 1067660583 /nfs/dbraw/zinc/66/05/83/1067660583.db2.gz JYJWGPNWXFPPSU-UHFFFAOYSA-N 0 0 451.415 4.908 20 0 JJADRN COCCOc1cccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC001460582102 1067661270 /nfs/dbraw/zinc/66/12/70/1067661270.db2.gz PPMOUIRYKKUISZ-SFHVURJKSA-N 0 0 450.510 4.903 20 0 JJADRN O=C(CCc1nc(-c2ccoc2)no1)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001460583848 1067661789 /nfs/dbraw/zinc/66/17/89/1067661789.db2.gz IULZDKPKFIVOHB-UHFFFAOYSA-N 0 0 454.845 4.514 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)ccc1Br ZINC001460584358 1067662328 /nfs/dbraw/zinc/66/23/28/1067662328.db2.gz JOVBVUOQTJQGAJ-LJQANCHMSA-N 0 0 451.311 4.666 20 0 JJADRN CC(C)Oc1ccc(-c2ccc(NC(=O)C3CCN(Cc4nccn4C)CC3)c(F)c2)cc1 ZINC001460584908 1067662654 /nfs/dbraw/zinc/66/26/54/1067662654.db2.gz PIGXFMHCVKNVSS-UHFFFAOYSA-N 0 0 450.558 4.864 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(C)ccc3N(C)C(C)C)cc2F)ccn1 ZINC001460585560 1067662792 /nfs/dbraw/zinc/66/27/92/1067662792.db2.gz QTCIDDWAKWMYFV-UHFFFAOYSA-N 0 0 450.514 4.778 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001460587830 1067663243 /nfs/dbraw/zinc/66/32/43/1067663243.db2.gz FGGAPSNOTOGRDW-NRSPTQNISA-N 0 0 451.567 4.890 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 ZINC001460589923 1067663613 /nfs/dbraw/zinc/66/36/13/1067663613.db2.gz NNDAWTIZFKQHIN-OAHLLOKOSA-N 0 0 450.402 4.938 20 0 JJADRN C[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)c1ccc(N2CCCCC2=O)cc1 ZINC001460592968 1067664488 /nfs/dbraw/zinc/66/44/88/1067664488.db2.gz SBFPNYZGWUAHHQ-CQSZACIVSA-N 0 0 458.349 4.582 20 0 JJADRN COc1cnc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c(Br)c1 ZINC001460596320 1067664959 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0 469.577 4.746 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC001460704785 1067705233 /nfs/dbraw/zinc/70/52/33/1067705233.db2.gz KBWNRAIVXGYIDI-FCHUYYIVSA-N 0 0 452.551 4.769 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CCN2CCCc3ccccc32)c1 ZINC001460704100 1067705338 /nfs/dbraw/zinc/70/53/38/1067705338.db2.gz BGVYPHFXEPJLPM-VWLOTQADSA-N 0 0 451.611 4.742 20 0 JJADRN COC(=O)c1cnc(CC2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)s1 ZINC001460703638 1067705350 /nfs/dbraw/zinc/70/53/50/1067705350.db2.gz RHBINTQCTOZLDD-GFCCVEGCSA-N 0 0 456.395 4.518 20 0 JJADRN O=C(NCCC1CC(F)(F)C1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC001460707622 1067705932 /nfs/dbraw/zinc/70/59/32/1067705932.db2.gz UFRQCNZBRVRDEY-UHFFFAOYSA-N 0 0 453.272 4.959 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2ccc(Cl)c(I)c2)cc1 ZINC001460713559 1067706649 /nfs/dbraw/zinc/70/66/49/1067706649.db2.gz NLYLIHIETRJODL-ZDUSSCGKSA-N 0 0 457.739 4.952 20 0 JJADRN CC(C)CCc1nc(CN(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001460713456 1067706818 /nfs/dbraw/zinc/70/68/18/1067706818.db2.gz OUNIMMPWYPVODE-UHFFFAOYSA-N 0 0 459.656 4.716 20 0 JJADRN CCOc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 ZINC001460711282 1067706841 /nfs/dbraw/zinc/70/68/41/1067706841.db2.gz UGWKXSUYKFPEKG-QFIPXVFZSA-N 0 0 456.583 4.767 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 ZINC001460714439 1067707301 /nfs/dbraw/zinc/70/73/01/1067707301.db2.gz VGRRWIHLDDREOB-HXUWFJFHSA-N 0 0 451.588 4.668 20 0 JJADRN CCCCCn1nc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c2ccccc2c1=O ZINC001460714309 1067707308 /nfs/dbraw/zinc/70/73/08/1067707308.db2.gz BBGWAIKWTZZBET-UHFFFAOYSA-N 0 0 458.484 4.717 20 0 JJADRN CCC1(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CCN(C(=O)c2ccccc2)CC1 ZINC001460716256 1067707616 /nfs/dbraw/zinc/70/76/16/1067707616.db2.gz PSXUFCYKQWZTQZ-UHFFFAOYSA-N 0 0 459.512 4.836 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CCN(C)Cc4cscc4Br)nc(N)c23)C1 ZINC001460715693 1067707636 /nfs/dbraw/zinc/70/76/36/1067707636.db2.gz IKHFOWLGZJETQP-NSHDSACASA-N 0 0 451.459 4.897 20 0 JJADRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715197 1067707708 /nfs/dbraw/zinc/70/77/08/1067707708.db2.gz AYBIPXBDLAMJFL-HXUWFJFHSA-N 0 0 455.549 4.844 20 0 JJADRN C[C@H]1NC(=O)N(CCN(C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717339 1067708079 /nfs/dbraw/zinc/70/80/79/1067708079.db2.gz IWBYSNHKWOBCPY-GFCCVEGCSA-N 0 0 456.757 4.811 20 0 JJADRN COc1ccc(C(=O)NC(=O)CN(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)cc1 ZINC001460718650 1067708670 /nfs/dbraw/zinc/70/86/70/1067708670.db2.gz NTPIUKUGBGWHRG-UHFFFAOYSA-N 0 0 456.901 4.668 20 0 JJADRN C[C@H](CC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)n1cc(Br)cn1 ZINC001460721208 1067708803 /nfs/dbraw/zinc/70/88/03/1067708803.db2.gz CINHJNMXHDQYRY-PXAZEXFGSA-N 0 0 450.768 4.880 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N2CCCc3ccc(Br)c(C)c32)cc1 ZINC001460725157 1067710229 /nfs/dbraw/zinc/71/02/29/1067710229.db2.gz RJWJSOGVHDBBAG-UHFFFAOYSA-N 0 0 457.397 4.718 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)N1CCCc2ccc(Br)c(C)c21 ZINC001460726799 1067710729 /nfs/dbraw/zinc/71/07/29/1067710729.db2.gz VCEIFSULJBVXFC-UHFFFAOYSA-N 0 0 454.162 4.825 20 0 JJADRN O=C(c1cccnc1-n1cc(Br)cn1)N1CCCc2c(Cl)cc(Cl)cc21 ZINC001460729713 1067711307 /nfs/dbraw/zinc/71/13/07/1067711307.db2.gz UJIWMWMUSXJVGH-UHFFFAOYSA-N 0 0 452.139 4.930 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001460731804 1067711684 /nfs/dbraw/zinc/71/16/84/1067711684.db2.gz DTUKLVXZCDGKML-HNNXBMFYSA-N 0 0 454.368 4.932 20 0 JJADRN Cn1cnc(CCNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)c1 ZINC001460735112 1067712188 /nfs/dbraw/zinc/71/21/88/1067712188.db2.gz LMJLINYVFICCTF-UHFFFAOYSA-N 0 0 451.368 4.622 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1 ZINC001460738912 1067712477 /nfs/dbraw/zinc/71/24/77/1067712477.db2.gz TUPTYHLRVJGZPA-HBMCJLEFSA-N 0 0 458.599 4.565 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)cs2)n1C ZINC001460739532 1067712635 /nfs/dbraw/zinc/71/26/35/1067712635.db2.gz GNMWISKJTIEVSK-UHFFFAOYSA-N 0 0 458.628 4.710 20 0 JJADRN Cc1nc(C(=O)NCCc2cccc(Br)c2)nn1-c1c(Cl)cccc1Cl ZINC001460739950 1067713011 /nfs/dbraw/zinc/71/30/11/1067713011.db2.gz JULJPSGTHIURRP-UHFFFAOYSA-N 0 0 454.155 4.618 20 0 JJADRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001460740878 1067713052 /nfs/dbraw/zinc/71/30/52/1067713052.db2.gz OKTBNQIIZQSOPC-GAJHUEQPSA-N 0 0 452.551 4.968 20 0 JJADRN CC(C)Cn1cccc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1=O ZINC001460744039 1067713731 /nfs/dbraw/zinc/71/37/31/1067713731.db2.gz FFMVTOLSLYOUGK-UHFFFAOYSA-N 0 0 453.583 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)n2)CC[C@H]1c1ccc(F)cc1 ZINC001460743717 1067713778 /nfs/dbraw/zinc/71/37/78/1067713778.db2.gz CDMNZIHXJVXFNE-JTHBVZDNSA-N 0 0 476.552 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[C@H]1c1ccc(F)cc1 ZINC001460744664 1067714115 /nfs/dbraw/zinc/71/41/15/1067714115.db2.gz KSMVXQAWJZMFQK-FCHUYYIVSA-N 0 0 452.526 4.511 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c(Cl)c1 ZINC001460749802 1067715604 /nfs/dbraw/zinc/71/56/04/1067715604.db2.gz OJEWQMJZINTXHC-OAHLLOKOSA-N 0 0 457.937 4.514 20 0 JJADRN O=C(CN1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754020 1067716972 /nfs/dbraw/zinc/71/69/72/1067716972.db2.gz CLCWONJAYDMNNE-INIZCTEOSA-N 0 0 453.464 4.784 20 0 JJADRN CCc1cccc(F)c1COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC001460756005 1067717351 /nfs/dbraw/zinc/71/73/51/1067717351.db2.gz CTZIYWNOVNZGQK-UHFFFAOYSA-N 0 0 457.523 4.579 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460758215 1067717953 /nfs/dbraw/zinc/71/79/53/1067717953.db2.gz FNZDNOWPOLBACH-JTHBVZDNSA-N 0 0 452.599 4.823 20 0 JJADRN O=C(CN1Cc2ccccc2OC2(CCOCC2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001460759365 1067718397 /nfs/dbraw/zinc/71/83/97/1067718397.db2.gz JPQPCYYSFZWGQE-UHFFFAOYSA-N 0 0 454.876 4.741 20 0 JJADRN Cc1c(Br)c(C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)nn1C ZINC001460765599 1067719835 /nfs/dbraw/zinc/71/98/35/1067719835.db2.gz QIBMSWUCTRGHJS-UHFFFAOYSA-N 0 0 456.369 4.717 20 0 JJADRN Cc1sc2ncn(CCC(=O)OCc3cccc(Br)c3Cl)c(=O)c2c1C ZINC001460784392 1067722874 /nfs/dbraw/zinc/72/28/74/1067722874.db2.gz AVQGDMPOKKAZBZ-UHFFFAOYSA-N 0 0 455.761 4.624 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCS[C@H](C(F)(F)F)C2)C1=O ZINC001460783638 1067722900 /nfs/dbraw/zinc/72/29/00/1067722900.db2.gz GCZLJBHJZDGTNZ-CABCVRRESA-N 0 0 451.352 4.541 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCS[C@@H](C(F)(F)F)C2)C1=O ZINC001460783656 1067722981 /nfs/dbraw/zinc/72/29/81/1067722981.db2.gz GCZLJBHJZDGTNZ-LSDHHAIUSA-N 0 0 451.352 4.541 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCS[C@@H](C(F)(F)F)C2)C1=O ZINC001460783652 1067722987 /nfs/dbraw/zinc/72/29/87/1067722987.db2.gz GCZLJBHJZDGTNZ-HUUCEWRRSA-N 0 0 451.352 4.541 20 0 JJADRN Cc1csc(C[C@H]2CCCN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793329 1067724339 /nfs/dbraw/zinc/72/43/39/1067724339.db2.gz LHRKIAAQQVARMX-QGZVFWFLSA-N 0 0 454.621 4.659 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C2)n1 ZINC001460793325 1067724479 /nfs/dbraw/zinc/72/44/79/1067724479.db2.gz LHRKIAAQQVARMX-KRWDZBQOSA-N 0 0 454.621 4.659 20 0 JJADRN Cn1c2cc(Br)ccc2nc1CN1CCc2ccc(Br)c(F)c2C1 ZINC001460794140 1067724594 /nfs/dbraw/zinc/72/45/94/1067724594.db2.gz KYBHPTJBALHZGN-UHFFFAOYSA-N 0 0 453.153 4.796 20 0 JJADRN O=C(OCc1cccc(Br)c1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001460792521 1067724600 /nfs/dbraw/zinc/72/46/00/1067724600.db2.gz PIJFJVQYGNBJFM-KRWDZBQOSA-N 0 0 452.732 4.947 20 0 JJADRN C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC(CCc2ccccc2)CC1 ZINC001460795660 1067725018 /nfs/dbraw/zinc/72/50/18/1067725018.db2.gz YHTUXABVGDPDRO-QGZVFWFLSA-N 0 0 459.512 4.724 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)cc1 ZINC001460795269 1067725041 /nfs/dbraw/zinc/72/50/41/1067725041.db2.gz LCSXPWUDFMQIEW-FQEVSTJZSA-N 0 0 459.612 4.818 20 0 JJADRN COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(Br)c1OC ZINC001460796968 1067725433 /nfs/dbraw/zinc/72/54/33/1067725433.db2.gz QLQXMBKYSNRYNI-INIZCTEOSA-N 0 0 457.409 4.688 20 0 JJADRN Cc1cc(C)n(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001460798594 1067726192 /nfs/dbraw/zinc/72/61/92/1067726192.db2.gz YNKBLNWQYIGYBS-WOJBJXKFSA-N 0 0 452.521 4.767 20 0 JJADRN C[C@H](OC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F)c1cncc(F)c1 ZINC001460801390 1067726585 /nfs/dbraw/zinc/72/65/85/1067726585.db2.gz LTBYEGPBVQHGFA-VIFPVBQESA-N 0 0 459.197 4.501 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC001460800312 1067726695 /nfs/dbraw/zinc/72/66/95/1067726695.db2.gz HBGJAWXSKXWJGV-IBGZPJMESA-N 0 0 450.402 4.584 20 0 JJADRN CCOC(=O)[C@](C)(NCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccccc1 ZINC001460799766 1067726733 /nfs/dbraw/zinc/72/67/33/1067726733.db2.gz GXTAQMDEUZKFSC-HSZRJFAPSA-N 0 0 457.983 4.779 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)CN[C@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)c2)cs1 ZINC001460801807 1067726965 /nfs/dbraw/zinc/72/69/65/1067726965.db2.gz POZSKUMPMRLHTP-QFIPXVFZSA-N 0 0 455.555 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802217 1067727075 /nfs/dbraw/zinc/72/70/75/1067727075.db2.gz ORVVZEXRHGFPOW-GOSISDBHSA-N 0 0 451.405 4.966 20 0 JJADRN O=C(CCN1CCCC[C@H]1c1ncc(Br)cn1)Nc1cccc(C(F)(F)F)c1 ZINC001460805745 1067727507 /nfs/dbraw/zinc/72/75/07/1067727507.db2.gz DMRXISBZPRHHFE-INIZCTEOSA-N 0 0 457.294 4.814 20 0 JJADRN CN(C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460807857 1067727764 /nfs/dbraw/zinc/72/77/64/1067727764.db2.gz DXMHZKOGUNYQMX-RZUBCFFCSA-N 0 0 456.533 4.935 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC(C)(C)C)c2ccccn2)c1 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20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)c2occc2C)CCS1 ZINC001546119396 1067731944 /nfs/dbraw/zinc/73/19/44/1067731944.db2.gz ATTIQBNQMZKNRH-UHFFFAOYSA-N 0 0 499.656 4.842 20 0 JJADRN COc1cc(NC(=O)c2ncc(Br)cc2Br)c(Cl)c(OC)c1 ZINC001460839297 1067732253 /nfs/dbraw/zinc/73/22/53/1067732253.db2.gz BNHUZMGQJHLSCL-UHFFFAOYSA-N 0 0 450.514 4.530 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC=CO2)CCS1 ZINC001546119467 1067733585 /nfs/dbraw/zinc/73/35/85/1067733585.db2.gz DJNPCJAPFVTYKF-QFIPXVFZSA-N 0 0 456.656 4.877 20 0 JJADRN Cc1c(F)c(F)ccc1NC(=O)c1csc(I)c1Br ZINC001460846239 1067733844 /nfs/dbraw/zinc/73/38/44/1067733844.db2.gz BWYCKNVMHWREGP-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN CC(C)Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1-c1ccccc1 ZINC001460847944 1067734293 /nfs/dbraw/zinc/73/42/93/1067734293.db2.gz NMXNCBAQBOEOGE-UHFFFAOYSA-N 0 0 454.596 4.535 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC)nc2)CCS1 ZINC001546119555 1067734430 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CC[C@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c1C1CC1 ZINC001460872935 1067739640 /nfs/dbraw/zinc/73/96/40/1067739640.db2.gz PLROQDIJEDXTLO-INIZCTEOSA-N 0 0 459.432 4.888 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c1C1CC1 ZINC001460872938 1067739667 /nfs/dbraw/zinc/73/96/67/1067739667.db2.gz PLROQDIJEDXTLO-MRXNPFEDSA-N 0 0 459.432 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460873794 1067740039 /nfs/dbraw/zinc/74/00/39/1067740039.db2.gz RYNGCWVEDLENNS-UHFFFAOYSA-N 0 0 454.011 4.630 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc(C2CCOCC2)cc1 ZINC001460874292 1067740068 /nfs/dbraw/zinc/74/00/68/1067740068.db2.gz WCYYUALXODYLNZ-UHFFFAOYSA-N 0 0 457.412 4.738 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cc(-c2cccc(F)c2)no1 ZINC001460873641 1067740131 /nfs/dbraw/zinc/74/01/31/1067740131.db2.gz RVTPCYVXIPWDCW-UHFFFAOYSA-N 0 0 458.331 4.638 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)ccc1Cl ZINC001460881557 1067741843 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473.593 4.733 20 0 JJADRN CSc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl ZINC001460902616 1067745930 /nfs/dbraw/zinc/74/59/30/1067745930.db2.gz KMOTWGQWSLQZQT-UHFFFAOYSA-N 0 0 453.029 4.808 20 0 JJADRN COc1ccc(CN(CCCO)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001460907038 1067746316 /nfs/dbraw/zinc/74/63/16/1067746316.db2.gz BXIBTVNYHQNGAM-QFIPXVFZSA-N 0 0 451.394 4.550 20 0 JJADRN CCCCOc1ccc(-c2nnc(CN3CC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)o2)cc1 ZINC001460910344 1067746562 /nfs/dbraw/zinc/74/65/62/1067746562.db2.gz USFSITVBCXNFBM-KBMIEXCESA-N 0 0 456.587 4.795 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001460910106 1067746591 /nfs/dbraw/zinc/74/65/91/1067746591.db2.gz CFSWEKWLKHLNBH-MJGOQNOKSA-N 0 0 450.398 4.651 20 0 JJADRN CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001460910103 1067746597 /nfs/dbraw/zinc/74/65/97/1067746597.db2.gz CFSWEKWLKHLNBH-IEBWSBKVSA-N 0 0 450.398 4.651 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1 ZINC001460914081 1067747308 /nfs/dbraw/zinc/74/73/08/1067747308.db2.gz HBCRMOQYFBSTIB-LEWJYISDSA-N 0 0 469.368 4.914 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H]1c1ccccc1 ZINC001460917339 1067747681 /nfs/dbraw/zinc/74/76/81/1067747681.db2.gz OIZKBBBVZYPTIT-YYDVJCTNSA-N 0 0 469.368 4.841 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001460919685 1067747992 /nfs/dbraw/zinc/74/79/92/1067747992.db2.gz FMGNGBLRCZVXHQ-FGZHOGPDSA-N 0 0 456.876 4.660 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001460919689 1067748055 /nfs/dbraw/zinc/74/80/55/1067748055.db2.gz FMGNGBLRCZVXHQ-VXKWHMMOSA-N 0 0 456.876 4.660 20 0 JJADRN CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001460920527 1067748548 /nfs/dbraw/zinc/74/85/48/1067748548.db2.gz RZLYQPSEEAMFJI-TZIWHRDSSA-N 0 0 450.645 4.596 20 0 JJADRN C[C@H](NC(=O)CN1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1Cl ZINC001460922522 1067748810 /nfs/dbraw/zinc/74/88/10/1067748810.db2.gz WQMMRPFGALGSCV-NYHFZMIOSA-N 0 0 456.414 4.646 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001460927482 1067749626 /nfs/dbraw/zinc/74/96/26/1067749626.db2.gz RTVFTOCYNVZWCT-UHFFFAOYSA-N 0 0 455.690 4.890 20 0 JJADRN Cc1cccc(NC(=O)c2cnc(-c3ccccc3Br)s2)c1S(C)(=O)=O ZINC001460931189 1067750017 /nfs/dbraw/zinc/75/00/17/1067750017.db2.gz VMGRCJWIFOALJB-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)OCc1ccccc1 ZINC001460933742 1067750409 /nfs/dbraw/zinc/75/04/09/1067750409.db2.gz DPLVKZQGGZLYFM-RBZQAINGSA-N 0 0 450.579 4.838 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)c1 ZINC001460937294 1067750758 /nfs/dbraw/zinc/75/07/58/1067750758.db2.gz LMTBFFPWYADFGK-UHFFFAOYSA-N 0 0 452.016 4.762 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(CS(=O)(=O)CC)cc3)s2)cc1 ZINC001460946864 1067751999 /nfs/dbraw/zinc/75/19/99/1067751999.db2.gz LLGHZNFGBPJZTB-UHFFFAOYSA-N 0 0 458.605 4.958 20 0 JJADRN O=C(NCc1cc(Cl)cc(Br)c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001460949951 1067752266 /nfs/dbraw/zinc/75/22/66/1067752266.db2.gz LGWYFMVDYKPYPV-CVEARBPZSA-N 0 0 474.580 4.654 20 0 JJADRN COc1cc(C2(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCCC2)ccc1C ZINC001460949949 1067752300 /nfs/dbraw/zinc/75/23/00/1067752300.db2.gz FGGMXYVTKJMGDY-GOSISDBHSA-N 0 0 458.521 4.777 20 0 JJADRN COc1ccc([C@H](NC(=O)c2scc(C)c2I)c2ccco2)cc1 ZINC001460950645 1067752765 /nfs/dbraw/zinc/75/27/65/1067752765.db2.gz VHQWUOISCKUCHC-INIZCTEOSA-N 0 0 453.301 4.782 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)C(F)(F)F ZINC001460953847 1067753129 /nfs/dbraw/zinc/75/31/29/1067753129.db2.gz SDAXNQJOMIOXPH-GOSISDBHSA-N 0 0 450.457 4.886 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21)c1ccncc1 ZINC001460955463 1067753574 /nfs/dbraw/zinc/75/35/74/1067753574.db2.gz AGFMBSNALQQACX-RUZDIDTESA-N 0 0 455.514 4.730 20 0 JJADRN C[C@](Cc1ccccc1)(NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C1CC1 ZINC001460957191 1067753603 /nfs/dbraw/zinc/75/36/03/1067753603.db2.gz INCCQZIALKXHHU-AFMDSPMNSA-N 0 0 456.533 4.668 20 0 JJADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCCc2ccc(Cl)c(F)c21 ZINC001460963792 1067753795 /nfs/dbraw/zinc/75/37/95/1067753795.db2.gz WQFAWUGQPGKGRX-UHFFFAOYSA-N 0 0 457.354 4.510 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001460963148 1067753841 /nfs/dbraw/zinc/75/38/41/1067753841.db2.gz UWDJBNYBIWGGHC-UHFFFAOYSA-N 0 0 452.313 4.790 20 0 JJADRN CC[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(Br)cc1 ZINC001460969586 1067754558 /nfs/dbraw/zinc/75/45/58/1067754558.db2.gz MCCKOPMABFXHGW-QXAKKESOSA-N 0 0 451.405 4.801 20 0 JJADRN COC(=O)[C@H](N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C)c1c(F)cccc1Cl ZINC001460984672 1067757219 /nfs/dbraw/zinc/75/72/19/1067757219.db2.gz ZJYXNFOBPYZLOG-CJODITQLSA-N 0 0 454.970 4.707 20 0 JJADRN O=C(Nc1nn(CC(F)(F)F)cc1Br)c1cc(C2CC2)nn1-c1ccccc1 ZINC001460984332 1067757223 /nfs/dbraw/zinc/75/72/23/1067757223.db2.gz AZXRWHAKIJGVKY-UHFFFAOYSA-N 0 0 454.250 4.523 20 0 JJADRN COc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC001460987253 1067758100 /nfs/dbraw/zinc/75/81/00/1067758100.db2.gz JHFGVDMHOBMUOZ-CYBMUJFWSA-N 0 0 458.363 4.642 20 0 JJADRN CCN(Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989542 1067758490 /nfs/dbraw/zinc/75/84/90/1067758490.db2.gz XBLKDQDUZMCHJE-MRXNPFEDSA-N 0 0 451.409 4.557 20 0 JJADRN COc1ccc(N(CC(C)C)C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001460989596 1067758529 /nfs/dbraw/zinc/75/85/29/1067758529.db2.gz AAHPOGNZRQNPLU-QHCPKHFHSA-N 0 0 456.583 4.829 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)cn1 ZINC001460996013 1067759757 /nfs/dbraw/zinc/75/97/57/1067759757.db2.gz UCNLGQPMCDNFAU-UHFFFAOYSA-N 0 0 450.442 4.827 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC001460996074 1067759806 /nfs/dbraw/zinc/75/98/06/1067759806.db2.gz VMQJHHFVYQSEML-OAHLLOKOSA-N 0 0 454.518 4.845 20 0 JJADRN COC(=O)Cc1csc(N(C(=O)Cc2ccc(C3CCCCC3)cc2)N2CCCCC2)n1 ZINC001461001797 1067760661 /nfs/dbraw/zinc/76/06/61/1067760661.db2.gz YXBRCXUKHSYNDN-UHFFFAOYSA-N 0 0 455.624 4.883 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc(C)n1 ZINC001461007674 1067761583 /nfs/dbraw/zinc/76/15/83/1067761583.db2.gz JWJGYTWLVYMIST-UHFFFAOYSA-N 0 0 452.352 4.952 20 0 JJADRN CC[C@H](NC(=O)c1c(I)ccc(Br)c1F)[C@H]1CC1(C)C ZINC001461012702 1067761959 /nfs/dbraw/zinc/76/19/59/1067761959.db2.gz YYUPSYYVQSXAIA-KCJUWKMLSA-N 0 0 454.121 4.747 20 0 JJADRN Brc1cccc(-c2nc(CNC[C@H]3CN(Cc4ccccc4)CCO3)cs2)c1 ZINC001461010562 1067762027 /nfs/dbraw/zinc/76/20/27/1067762027.db2.gz YWICUHDAYJOEPL-NRFANRHFSA-N 0 0 458.425 4.563 20 0 JJADRN O=C(COc1ccc(Br)cc1)N1CCC[C@@H]1Cc1ccccc1Br ZINC001461014632 1067762271 /nfs/dbraw/zinc/76/22/71/1067762271.db2.gz BMNRXDFNBGRMMF-MRXNPFEDSA-N 0 0 453.174 4.824 20 0 JJADRN O=C(COc1cccc(Br)c1)N1CCC[C@H]1Cc1ccccc1Br ZINC001461015608 1067762311 /nfs/dbraw/zinc/76/23/11/1067762311.db2.gz DSRJRZFARDXEPA-INIZCTEOSA-N 0 0 453.174 4.824 20 0 JJADRN COc1ccc(CC(=O)N2CCC[C@H]2Cc2ccccc2Br)c(Cl)c1OC ZINC001461015580 1067762368 /nfs/dbraw/zinc/76/23/68/1067762368.db2.gz DNGDQDRFVKMLTQ-INIZCTEOSA-N 0 0 452.776 4.896 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nsc(Cc2ccc(F)cc2)n1 ZINC001461017820 1067762510 /nfs/dbraw/zinc/76/25/10/1067762510.db2.gz SGTKZYTVRRXDND-UHFFFAOYSA-N 0 0 450.333 4.827 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001461021041 1067763413 /nfs/dbraw/zinc/76/34/13/1067763413.db2.gz BUYOLGJVLWVNNU-FUHWJXTLSA-N 0 0 454.430 4.621 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001461022852 1067763591 /nfs/dbraw/zinc/76/35/91/1067763591.db2.gz PUPASWDXRHFMEU-RYQLBKOJSA-N 0 0 451.380 4.525 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CCS1 ZINC001546120902 1067763749 /nfs/dbraw/zinc/76/37/49/1067763749.db2.gz DDQOUCFLUMZOTD-XIFFEERXSA-N 0 0 494.727 4.525 20 0 JJADRN CCCCCCn1nc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c2ccccc2c1=O ZINC001461025018 1067763987 /nfs/dbraw/zinc/76/39/87/1067763987.db2.gz LLKWZHSKTFVPLI-RBUKOAKNSA-N 0 0 455.599 4.559 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CCCS2)CCS1 ZINC001546120909 1067764454 /nfs/dbraw/zinc/76/44/54/1067764454.db2.gz DGMWDTZDDVSUFH-NRFANRHFSA-N 0 0 479.741 4.667 20 0 JJADRN CCc1cc2c(CC(=O)N3c4ccccc4C[C@H]3CNC(=O)C(F)(F)F)csc2s1 ZINC001461028753 1067765050 /nfs/dbraw/zinc/76/50/50/1067765050.db2.gz ZRGXGZZSBSEALJ-AWEZNQCLSA-N 0 0 452.523 4.704 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)nc2C1 ZINC001461029084 1067765147 /nfs/dbraw/zinc/76/51/47/1067765147.db2.gz BOQLBIALXXVTJT-HNNXBMFYSA-N 0 0 456.951 4.906 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2ccc3ccnc(Cl)c3c2)=NN1c1ccccc1 ZINC001461028920 1067765155 /nfs/dbraw/zinc/76/51/55/1067765155.db2.gz CARCEVNCXVICNS-HXUWFJFHSA-N 0 0 450.926 4.803 20 0 JJADRN CCCCC(=O)N1CSC[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC001461030069 1067765618 /nfs/dbraw/zinc/76/56/18/1067765618.db2.gz KRCAXUGZBUAUKU-GOSISDBHSA-N 0 0 453.446 4.816 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001461031264 1067765638 /nfs/dbraw/zinc/76/56/38/1067765638.db2.gz QDSVJBAIVLVKEY-FYYLOGMGSA-N 0 0 454.998 4.800 20 0 JJADRN O=C(c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)N1CC[C@@H](C2CCCC2)C1 ZINC001461033917 1067766315 /nfs/dbraw/zinc/76/63/15/1067766315.db2.gz RKNWXKQSIAOCAU-CYBMUJFWSA-N 0 0 457.294 4.701 20 0 JJADRN COc1ccc(C(=O)C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1Cl ZINC001461035838 1067766527 /nfs/dbraw/zinc/76/65/27/1067766527.db2.gz GLBKIVJWAODCJC-KRWDZBQOSA-N 0 0 450.760 4.918 20 0 JJADRN COc1ccc(-n2ccc(C(=O)N3CCCC[C@@H]3Cc3cccc(Br)c3)n2)cc1 ZINC001461037016 1067767055 /nfs/dbraw/zinc/76/70/55/1067767055.db2.gz LYOZWIDYXHXMDG-HXUWFJFHSA-N 0 0 454.368 4.881 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)c1 ZINC001461042398 1067768348 /nfs/dbraw/zinc/76/83/48/1067768348.db2.gz QRZWKLYJTCVWNN-ILXRZTDVSA-N 0 0 457.384 4.908 20 0 JJADRN O=C(c1cc(I)ccc1N1CCCCC1)N1CC[C@@H](C2CCCC2)C1 ZINC001461045856 1067768884 /nfs/dbraw/zinc/76/88/84/1067768884.db2.gz VQOVABUHOFGJED-QGZVFWFLSA-N 0 0 452.380 4.934 20 0 JJADRN CCc1nc2ccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]3C)cc2nc1CC ZINC001461045312 1067768892 /nfs/dbraw/zinc/76/88/92/1067768892.db2.gz ZZVODZQGZAJHCR-LMMKCTJWSA-N 0 0 454.615 4.766 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC001461054398 1067770939 /nfs/dbraw/zinc/77/09/39/1067770939.db2.gz ZPFAADJCFKRHSL-RBUKOAKNSA-N 0 0 464.787 4.795 20 0 JJADRN Fc1ccc(N2CCN(c3cc(C[NH2+]Cc4ccccc4CC(F)(F)F)ccn3)CC2)cc1 ZINC001461056230 1067771507 /nfs/dbraw/zinc/77/15/07/1067771507.db2.gz IHUZRZZFWHIQBO-UHFFFAOYSA-N 0 0 458.503 4.942 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H]1C(=O)OC(C)(C)C ZINC001461058110 1067771757 /nfs/dbraw/zinc/77/17/57/1067771757.db2.gz JYGGGJODOXKFGG-KXBFYZLASA-N 0 0 451.405 4.632 20 0 JJADRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC001461059365 1067772052 /nfs/dbraw/zinc/77/20/52/1067772052.db2.gz JBQIDASECORDQV-YTTGMZPUSA-N 0 0 450.516 4.780 20 0 JJADRN COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c21 ZINC001461059430 1067772168 /nfs/dbraw/zinc/77/21/68/1067772168.db2.gz JOWFZJTXGODGGI-JGCGQSQUSA-N 0 0 454.504 4.880 20 0 JJADRN CCC(CC)(CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C(=O)OC(C)(C)C ZINC001461059565 1067772444 /nfs/dbraw/zinc/77/24/44/1067772444.db2.gz BFRGVPHMBBGDAU-UHFFFAOYSA-N 0 0 450.377 4.513 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc2)c1 ZINC001461060987 1067772782 /nfs/dbraw/zinc/77/27/82/1067772782.db2.gz DOIQDYOBAOQUBX-HSZRJFAPSA-N 0 0 452.595 4.659 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCCC2(C)C)CCS1 ZINC001546121197 1067772800 /nfs/dbraw/zinc/77/28/00/1067772800.db2.gz OJTHLCQYDYWOJO-AREMUKBSSA-N 0 0 488.698 4.919 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC2CCOCC2)CCS1 ZINC001546121217 1067773208 /nfs/dbraw/zinc/77/32/08/1067773208.db2.gz PGZSBOYPOCJBRP-FGZHOGPDSA-N 0 0 494.746 4.894 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)OC(C)(C)C)cc2)c1 ZINC001461061464 1067773235 /nfs/dbraw/zinc/77/32/35/1067773235.db2.gz WJHSIFJPWGKNJN-CVDCTZTESA-N 0 0 450.579 4.507 20 0 JJADRN COCc1cccc(NCc2cc(I)c(Br)cc2F)c1 ZINC001461065877 1067774760 /nfs/dbraw/zinc/77/47/60/1067774760.db2.gz POMXDZQTWWYPEQ-UHFFFAOYSA-N 0 0 450.089 4.951 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001461067549 1067775090 /nfs/dbraw/zinc/77/50/90/1067775090.db2.gz WWFDGCJLMSRWRJ-UHFFFAOYSA-N 0 0 458.914 4.723 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccccc3F)n2Cc2ccc(F)cn2)CCS1 ZINC001546121405 1067776959 /nfs/dbraw/zinc/77/69/59/1067776959.db2.gz WNNRIRXEFZLVLP-UHFFFAOYSA-N 0 0 459.566 4.691 20 0 JJADRN CC(C)(COCc1ccccc1)C(=O)NCc1cc(Cl)cc(I)c1 ZINC001461076804 1067777123 /nfs/dbraw/zinc/77/71/23/1067777123.db2.gz RWANPNWRPJJNCD-UHFFFAOYSA-N 0 0 457.739 4.804 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC001461078646 1067777297 /nfs/dbraw/zinc/77/72/97/1067777297.db2.gz SSHAUGXMOZCOIM-UHFFFAOYSA-N 0 0 457.221 4.828 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1)NC(=O)OC(C)(C)C ZINC001461083120 1067778004 /nfs/dbraw/zinc/77/80/04/1067778004.db2.gz VSYJGICFOSBAOB-QGZVFWFLSA-N 0 0 452.958 4.992 20 0 JJADRN Cc1nc(-c2cc(NC(=O)[C@]34C[C@H]3CCCN4C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)n[nH]1 ZINC001461084019 1067778437 /nfs/dbraw/zinc/77/84/37/1067778437.db2.gz DRIWZIPTHOBAGV-SZNDQCEHSA-N 0 0 465.476 4.527 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461086922 1067779231 /nfs/dbraw/zinc/77/92/31/1067779231.db2.gz OGQHGOMMQWSKBV-ZDUSSCGKSA-N 0 0 452.761 4.933 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001461086754 1067779238 /nfs/dbraw/zinc/77/92/38/1067779238.db2.gz RMKRQGWTTDAPOI-INIZCTEOSA-N 0 0 459.537 4.756 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)ccn1 ZINC001461087999 1067779519 /nfs/dbraw/zinc/77/95/19/1067779519.db2.gz SBLLRQZRPFJNFW-INIZCTEOSA-N 0 0 455.356 4.701 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)N(CCc2ccccn2)c2ccc(Br)cn2)c1 ZINC001461088378 1067779562 /nfs/dbraw/zinc/77/95/62/1067779562.db2.gz VKQKZWIBQVUPRY-GOSISDBHSA-N 0 0 454.368 4.729 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)CCS1 ZINC001546121054 1067780899 /nfs/dbraw/zinc/78/08/99/1067780899.db2.gz JHTJTWMBRPZDAC-UHFFFAOYSA-N 0 0 492.571 4.884 20 0 JJADRN CN1CCN(C(=O)Cc2ccc(NCc3ccc(Oc4cc(F)cc(F)c4)cc3)cc2)CC1 ZINC001461095621 1067781069 /nfs/dbraw/zinc/78/10/69/1067781069.db2.gz XUGRFXVUSPQFLU-UHFFFAOYSA-N 0 0 451.517 4.686 20 0 JJADRN CCCCOc1ccc(-c2csc(NC(=O)C3CCN(Cc4nccn4C)CC3)n2)cc1 ZINC001461098009 1067781607 /nfs/dbraw/zinc/78/16/07/1067781607.db2.gz XUEFWKZBZLCCGM-UHFFFAOYSA-N 0 0 453.612 4.573 20 0 JJADRN C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(N2CCNC2=O)cc1 ZINC001461102583 1067782383 /nfs/dbraw/zinc/78/23/83/1067782383.db2.gz AHNWYUACSPQVMO-AWEZNQCLSA-N 0 0 459.424 4.866 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC001461105614 1067782763 /nfs/dbraw/zinc/78/27/63/1067782763.db2.gz OECZPOZEZTXYAF-JOCHJYFZSA-N 0 0 455.986 4.792 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 ZINC001461107924 1067783014 /nfs/dbraw/zinc/78/30/14/1067783014.db2.gz NECKIHIKGORTJL-UHFFFAOYSA-N 0 0 451.748 4.714 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC001461107949 1067783021 /nfs/dbraw/zinc/78/30/21/1067783021.db2.gz NNGCCTJXWKRELB-UHFFFAOYSA-N 0 0 454.368 4.608 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc1 ZINC001461106172 1067783044 /nfs/dbraw/zinc/78/30/44/1067783044.db2.gz RRKDHNXJTLWEAB-UHFFFAOYSA-N 0 0 455.558 4.952 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001461107951 1067783519 /nfs/dbraw/zinc/78/35/19/1067783519.db2.gz NNJVPVXUGYOVNW-JOCHJYFZSA-N 0 0 455.986 4.847 20 0 JJADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC001461110976 1067783742 /nfs/dbraw/zinc/78/37/42/1067783742.db2.gz CIDQMGFUCARPON-INIZCTEOSA-N 0 0 458.345 4.735 20 0 JJADRN O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001461119010 1067784808 /nfs/dbraw/zinc/78/48/08/1067784808.db2.gz SASSYVDFOJSXFW-QGZVFWFLSA-N 0 0 459.493 4.607 20 0 JJADRN CC(C)(C)OC(=O)C1(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CCOCC1 ZINC001461140027 1067787824 /nfs/dbraw/zinc/78/78/24/1067787824.db2.gz YNNDTYRYNRPINP-NRFANRHFSA-N 0 0 459.970 4.715 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CC[C@H](c2cccnc2)C1 ZINC001461136039 1067787882 /nfs/dbraw/zinc/78/78/82/1067787882.db2.gz SQXGZCJRHPZJDU-LBPRGKRZSA-N 0 0 450.130 4.983 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461142780 1067788259 /nfs/dbraw/zinc/78/82/59/1067788259.db2.gz FVHOOMATWMKXEI-CXAGYDPISA-N 0 0 456.340 4.568 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Oc2cccc3c2OCCC3)c1 ZINC001461149446 1067789425 /nfs/dbraw/zinc/78/94/25/1067789425.db2.gz PWVOOKXCOBAQGQ-UHFFFAOYSA-N 0 0 457.935 4.709 20 0 JJADRN O=C1CCCN1Cc1cccc(CNCc2csc(-c3cccc(Br)c3)n2)c1 ZINC001461155011 1067790124 /nfs/dbraw/zinc/79/01/24/1067790124.db2.gz OULDSOXALFDHHF-UHFFFAOYSA-N 0 0 456.409 4.985 20 0 JJADRN O=C([C@H](Oc1ccc(Br)cc1)c1ccccc1)N1CCc2cc(Cl)nnc2C1 ZINC001461154413 1067790188 /nfs/dbraw/zinc/79/01/88/1067790188.db2.gz CDUNBOKZXDQLFA-HXUWFJFHSA-N 0 0 458.743 4.598 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(=O)OC ZINC001461159382 1067791378 /nfs/dbraw/zinc/79/13/78/1067791378.db2.gz FBVAGGZBIYYWHP-ZBEGNZNMSA-N 0 0 453.402 4.897 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)[C@H]1COc2ccc(Br)cc21 ZINC001461160107 1067791418 /nfs/dbraw/zinc/79/14/18/1067791418.db2.gz ZMJFVOOBHDZOSC-NRFANRHFSA-N 0 0 456.311 4.960 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H](COCc3ccccc3)C(=O)OCc3ccccc3)CCC2)cc1 ZINC001461165424 1067791646 /nfs/dbraw/zinc/79/16/46/1067791646.db2.gz GBWCETADXHUHHS-SANMLTNESA-N 0 0 457.570 4.862 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CCCC1 ZINC001546122188 1067792422 /nfs/dbraw/zinc/79/24/22/1067792422.db2.gz BDKXFCSHIFTVGQ-UHFFFAOYSA-N 0 0 454.525 4.810 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)c2nsc3ccccc32)CC1 ZINC001461172911 1067792760 /nfs/dbraw/zinc/79/27/60/1067792760.db2.gz WIBJBNDDCGAWKF-UHFFFAOYSA-N 0 0 452.580 4.733 20 0 JJADRN COC(=O)[C@@]1(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)C[C@@H]1c1ccccc1 ZINC001461182806 1067794146 /nfs/dbraw/zinc/79/41/46/1067794146.db2.gz CBKCSLKFKVQMNC-SZNDQCEHSA-N 0 0 459.727 4.936 20 0 JJADRN CC[C@H]1C[C@@H](CC(=O)Nc2cccc(Br)c2I)CCO1 ZINC001461183805 1067794473 /nfs/dbraw/zinc/79/44/73/1067794473.db2.gz DPTGLWOGEOIOOT-QWRGUYRKSA-N 0 0 452.130 4.588 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCc2ccc(F)c(Cl)c21 ZINC001461184611 1067794881 /nfs/dbraw/zinc/79/48/81/1067794881.db2.gz XCKUMJMJNKVZHP-UHFFFAOYSA-N 0 0 450.963 4.637 20 0 JJADRN Cc1c(Br)cnn1CC(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001461186276 1067795292 /nfs/dbraw/zinc/79/52/92/1067795292.db2.gz UDPRSLLEZIPNHU-UHFFFAOYSA-N 0 0 458.541 4.557 20 0 JJADRN CC(=O)N(c1nc(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)cs1)c1ccc(F)cc1 ZINC001461194504 1067796887 /nfs/dbraw/zinc/79/68/87/1067796887.db2.gz NLSCXWWGYXVVMU-IBGZPJMESA-N 0 0 450.580 4.606 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461195342 1067797100 /nfs/dbraw/zinc/79/71/00/1067797100.db2.gz PDBSFRJECBTZMA-URZJWIJPSA-N 0 0 457.590 4.679 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001461195344 1067797265 /nfs/dbraw/zinc/79/72/65/1067797265.db2.gz PDBSFRJECBTZMA-WQTXXOFMSA-N 0 0 457.590 4.679 20 0 JJADRN C[C@H](Cc1ccccn1)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001461199753 1067798228 /nfs/dbraw/zinc/79/82/28/1067798228.db2.gz BBMAZEBKQRWUNB-SNVBAGLBSA-N 0 0 459.806 4.633 20 0 JJADRN C[C@@H](Cc1ccccn1)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001461199748 1067798236 /nfs/dbraw/zinc/79/82/36/1067798236.db2.gz BBMAZEBKQRWUNB-JTQLQIEISA-N 0 0 459.806 4.633 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)OC(C)(C)C)oc21 ZINC001461199056 1067798306 /nfs/dbraw/zinc/79/83/06/1067798306.db2.gz YTRNESNUUYTISX-KRWDZBQOSA-N 0 0 459.340 4.582 20 0 JJADRN C[C@@H](Cc1ccccn1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001461204461 1067798956 /nfs/dbraw/zinc/79/89/56/1067798956.db2.gz OBRYGHOFBJGVIX-LBPRGKRZSA-N 0 0 458.818 4.935 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)c1Br ZINC001461206489 1067799428 /nfs/dbraw/zinc/79/94/28/1067799428.db2.gz QFKMQSJQGFLPNA-LBPRGKRZSA-N 0 0 453.299 4.560 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(F)(F)F ZINC001461206590 1067799301 /nfs/dbraw/zinc/79/93/01/1067799301.db2.gz RLFNGBKPXQKOII-CQSZACIVSA-N 0 0 455.304 4.987 20 0 JJADRN COc1c(C)cccc1CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001461217942 1067801828 /nfs/dbraw/zinc/80/18/28/1067801828.db2.gz YXECJWPTTRQHBM-UHFFFAOYSA-N 0 0 451.567 4.803 20 0 JJADRN O=C(COc1ccc(C(=O)Nc2cc3cc[nH]c3cn2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461220295 1067802092 /nfs/dbraw/zinc/80/20/92/1067802092.db2.gz FVANSDGPAJJHHC-UHFFFAOYSA-N 0 0 454.408 4.852 20 0 JJADRN O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001461219807 1067802286 /nfs/dbraw/zinc/80/22/86/1067802286.db2.gz LYARRMZVZKHBRF-YGRLFVJLSA-N 0 0 450.244 4.806 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001461223704 1067803469 /nfs/dbraw/zinc/80/34/69/1067803469.db2.gz REQBBUIYXSTNQV-UHFFFAOYSA-N 0 0 453.474 4.700 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001461223744 1067803556 /nfs/dbraw/zinc/80/35/56/1067803556.db2.gz RTGAXIDKHREEQF-UHFFFAOYSA-N 0 0 452.417 4.673 20 0 JJADRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC001461237094 1067806181 /nfs/dbraw/zinc/80/61/81/1067806181.db2.gz ACYNSMKFLPRXIU-QZTJIDSGSA-N 0 0 450.535 4.683 20 0 JJADRN COc1cccc(Oc2ncccc2CNCc2c(Br)cc(OC)cc2OC)c1 ZINC001461237212 1067806255 /nfs/dbraw/zinc/80/62/55/1067806255.db2.gz WXKYNJMFBLIFJY-UHFFFAOYSA-N 0 0 459.340 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC001461243383 1067807850 /nfs/dbraw/zinc/80/78/50/1067807850.db2.gz ARZRCGMOWADDJI-UHFFFAOYSA-N 0 0 451.567 4.706 20 0 JJADRN Cc1c(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cnn1-c1ccc(F)cc1F ZINC001461244141 1067807914 /nfs/dbraw/zinc/80/79/14/1067807914.db2.gz DWTLZTDRBRPZGB-GOSISDBHSA-N 0 0 456.493 4.706 20 0 JJADRN Cc1c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cnn1-c1ccc(F)cc1F ZINC001461245806 1067808521 /nfs/dbraw/zinc/80/85/21/1067808521.db2.gz LLZJLQASVYAJRI-UHFFFAOYSA-N 0 0 452.486 4.703 20 0 JJADRN Cc1ccc([C@H](NCc2nccc(C)c2Br)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461253845 1067810877 /nfs/dbraw/zinc/81/08/77/1067810877.db2.gz MRUSATLGLYERNQ-QFIPXVFZSA-N 0 0 459.409 4.744 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ncc3[nH]ccc3c2Br)cc1)OCC(F)(F)F ZINC001461255077 1067811091 /nfs/dbraw/zinc/81/10/91/1067811091.db2.gz QUZIIZKMBPCQRL-UHFFFAOYSA-N 0 0 457.206 4.689 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ncc4[nH]ccc4c3Br)s2)cc1OC ZINC001461255895 1067811412 /nfs/dbraw/zinc/81/14/12/1067811412.db2.gz UAGGRKDQOKIAOQ-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)nn1 ZINC001461260250 1067812530 /nfs/dbraw/zinc/81/25/30/1067812530.db2.gz BOGQMQJVIKGDFD-UHFFFAOYSA-N 0 0 452.923 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ncc3[nH]ccc3c2Br)C1 ZINC001461266890 1067814426 /nfs/dbraw/zinc/81/44/26/1067814426.db2.gz OQFZPZUGZGPPRT-ZDUSSCGKSA-N 0 0 451.365 4.691 20 0 JJADRN Cc1c(NC(=O)c2ccc(I)cc2Cl)cnn1-c1ccc(C)cc1 ZINC001461272762 1067815475 /nfs/dbraw/zinc/81/54/75/1067815475.db2.gz BAILNCNDGHCJDB-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN O=C(COc1ccc(I)cc1)Nc1ccccc1OCc1ccccc1 ZINC001461277879 1067816676 /nfs/dbraw/zinc/81/66/76/1067816676.db2.gz LRAKXUBGYGPATD-UHFFFAOYSA-N 0 0 459.283 4.888 20 0 JJADRN O=C(Nc1ccc(F)cc1Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001546122968 1067816744 /nfs/dbraw/zinc/81/67/44/1067816744.db2.gz DEQBKFIRFMAXCK-UHFFFAOYSA-N 0 0 457.502 4.745 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001461280690 1067817004 /nfs/dbraw/zinc/81/70/04/1067817004.db2.gz ADUGEMIJMYDLGS-FVJLSDCUSA-N 0 0 451.583 4.707 20 0 JJADRN COCCN1CCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C(C)(C)C1 ZINC001461281249 1067817256 /nfs/dbraw/zinc/81/72/56/1067817256.db2.gz CMRGFOBALFTKNY-UHFFFAOYSA-N 0 0 455.649 4.771 20 0 JJADRN CCOc1c(Br)cc(CN[C@H](CC)C(=O)OC(C)(C)C)cc1Br ZINC001461287233 1067818525 /nfs/dbraw/zinc/81/85/25/1067818525.db2.gz QLOUDUNXNUYMCF-CQSZACIVSA-N 0 0 451.199 4.820 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001461288892 1067819041 /nfs/dbraw/zinc/81/90/41/1067819041.db2.gz VDEAQWWVTGHFPY-OKILXGFUSA-N 0 0 456.543 4.772 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2cc(Br)ncc2Cl)c2ccccc21 ZINC001461290031 1067819533 /nfs/dbraw/zinc/81/95/33/1067819533.db2.gz HJPOMXHZGLQKFC-BBRMVZONSA-N 0 0 451.748 4.798 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C)cc2s1 ZINC001461290347 1067819879 /nfs/dbraw/zinc/81/98/79/1067819879.db2.gz PRWWXRKWOHQKNG-ZIAGYGMSSA-N 0 0 452.646 4.722 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOc2c1cccc2C(F)(F)F ZINC001461291965 1067820235 /nfs/dbraw/zinc/82/02/35/1067820235.db2.gz HKFGDMAPDBJZNQ-KRWDZBQOSA-N 0 0 450.457 4.567 20 0 JJADRN CC(=O)N(c1nc(CNc2cccc([C@H](C)N3CCOCC3)c2)cs1)c1ccc(F)cc1 ZINC001461292285 1067820363 /nfs/dbraw/zinc/82/03/63/1067820363.db2.gz ZAWOEFUUCJUADM-KRWDZBQOSA-N 0 0 454.571 4.972 20 0 JJADRN CCn1cc(N(CC(C)C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC001461298548 1067821447 /nfs/dbraw/zinc/82/14/47/1067821447.db2.gz CAKWCFKANNCJDQ-QGZVFWFLSA-N 0 0 451.398 4.751 20 0 JJADRN CSc1nc(C)c(CCC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)c(C)n1 ZINC001461298847 1067822274 /nfs/dbraw/zinc/82/22/74/1067822274.db2.gz XDJLWYCFGPHEKU-UHFFFAOYSA-N 0 0 458.385 4.606 20 0 JJADRN CC1(C)CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)c2cc(F)ccc21 ZINC001461305145 1067823504 /nfs/dbraw/zinc/82/35/04/1067823504.db2.gz NADNMVRVPHDCCH-UHFFFAOYSA-N 0 0 450.333 4.957 20 0 JJADRN O=C(c1cc(Br)co1)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461304531 1067823541 /nfs/dbraw/zinc/82/35/41/1067823541.db2.gz MYMDJEQUQFLOCM-UHFFFAOYSA-N 0 0 455.024 4.863 20 0 JJADRN Cc1ccc(NCc2ccc(OC(F)(F)F)c(Br)c2)cc1NS(C)(=O)=O ZINC001461305218 1067823926 /nfs/dbraw/zinc/82/39/26/1067823926.db2.gz FEGODOORCCQUCE-UHFFFAOYSA-N 0 0 453.280 4.640 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)NC1(c2ccccc2Br)CCC1 ZINC001461305550 1067823918 /nfs/dbraw/zinc/82/39/18/1067823918.db2.gz KQJHFMCSUQAGGX-UHFFFAOYSA-N 0 0 451.364 4.918 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1 ZINC001461305592 1067824006 /nfs/dbraw/zinc/82/40/06/1067824006.db2.gz MBHPETDTAIYZBZ-INIZCTEOSA-N 0 0 456.408 4.932 20 0 JJADRN CS[C@@H]1CCCC[C@H]1NC(=O)c1c(I)ccc(Br)c1F ZINC001461306799 1067824024 /nfs/dbraw/zinc/82/40/24/1067824024.db2.gz HIUWQLSLGSYKQB-GHMZBOCLSA-N 0 0 472.161 4.597 20 0 JJADRN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC001461309430 1067825018 /nfs/dbraw/zinc/82/50/18/1067825018.db2.gz MVQSEPGROAUBMR-KRWDZBQOSA-N 0 0 452.274 4.915 20 0 JJADRN Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC001461309435 1067825516 /nfs/dbraw/zinc/82/55/16/1067825516.db2.gz MVQSEPGROAUBMR-QGZVFWFLSA-N 0 0 452.274 4.915 20 0 JJADRN COc1cc(OC(=O)c2cc(I)ccc2N2CCCCC2)ccc1F ZINC001461311865 1067825574 /nfs/dbraw/zinc/82/55/74/1067825574.db2.gz JFQWXEYBXLMQNL-UHFFFAOYSA-N 0 0 455.267 4.648 20 0 JJADRN O=C(Nc1ccc2c(c1)CCCCC2)c1cnn(-c2ccccc2)c1I ZINC001461313831 1067825852 /nfs/dbraw/zinc/82/58/52/1067825852.db2.gz BSIIAECABWOBEK-UHFFFAOYSA-N 0 0 457.315 4.998 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)[C@H](C)CO1 ZINC001461314169 1067826123 /nfs/dbraw/zinc/82/61/23/1067826123.db2.gz DQHKPWYGTKYUCP-CZUORRHYSA-N 0 0 450.486 4.654 20 0 JJADRN Cc1cc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc(C(=O)OC(C)(C)C)c1 ZINC001461324444 1067827960 /nfs/dbraw/zinc/82/79/60/1067827960.db2.gz FILIJXXEIAHVHM-HHHXNRCGSA-N 0 0 453.579 4.980 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)c1c(F)ccc(Br)c1F)c1ccccc1 ZINC001461324290 1067828142 /nfs/dbraw/zinc/82/81/42/1067828142.db2.gz CSPDVSUASGIWRR-NRFANRHFSA-N 0 0 454.311 4.757 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001461323969 1067828194 /nfs/dbraw/zinc/82/81/94/1067828194.db2.gz BHDYQSFOCGLLMR-QFIPXVFZSA-N 0 0 453.457 4.623 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001461325300 1067828542 /nfs/dbraw/zinc/82/85/42/1067828542.db2.gz JTHPHCPXIFZDKV-VWLOTQADSA-N 0 0 458.986 4.964 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461326857 1067829101 /nfs/dbraw/zinc/82/91/01/1067829101.db2.gz XXUUPLVLOXKZLC-WAIKUNEKSA-N 0 0 451.485 4.889 20 0 JJADRN Cc1c(Br)csc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001461333538 1067830962 /nfs/dbraw/zinc/83/09/62/1067830962.db2.gz LZFHCGNTOREOGA-UHFFFAOYSA-N 0 0 457.365 4.913 20 0 JJADRN Cn1nccc1[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)OC(C)(C)C ZINC001461330904 1067831024 /nfs/dbraw/zinc/83/10/24/1067831024.db2.gz UYPBIJZSAIYELY-SFHVURJKSA-N 0 0 454.577 4.571 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)c1C ZINC001461336827 1067831826 /nfs/dbraw/zinc/83/18/26/1067831826.db2.gz ILNXDOAQMIODHM-NRFANRHFSA-N 0 0 451.498 4.529 20 0 JJADRN COCCN(CC(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]1)C(=O)OC(C)(C)C ZINC001461336959 1067831961 /nfs/dbraw/zinc/83/19/61/1067831961.db2.gz SFROUTDROIQIFO-UHFFFAOYSA-N 0 0 458.946 4.705 20 0 JJADRN C[C@@H]1CN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CC2(CCC2)O1 ZINC001461336550 1067831990 /nfs/dbraw/zinc/83/19/90/1067831990.db2.gz SYJRFYWFZUMUAR-SNVBAGLBSA-N 0 0 458.221 4.610 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H](OC)c1ccc(Br)s1 ZINC001461338329 1067832228 /nfs/dbraw/zinc/83/22/28/1067832228.db2.gz BLOUXOBADQAWRB-KUHUBIRLSA-N 0 0 454.386 4.751 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)c1ccc2c(c1)C(=O)NCCO2 ZINC001461337803 1067832616 /nfs/dbraw/zinc/83/26/16/1067832616.db2.gz YIAVIAXDLIWIRJ-UHFFFAOYSA-N 0 0 453.292 4.616 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3csc(-c4ccccc4)n3)cc2)C1 ZINC001461340298 1067833330 /nfs/dbraw/zinc/83/33/30/1067833330.db2.gz DGPMXOWQBXUOHE-IRXDYDNUSA-N 0 0 455.605 4.729 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(C)(=O)=O)c2ccncc12 ZINC001461340367 1067833428 /nfs/dbraw/zinc/83/34/28/1067833428.db2.gz QKMWLGOBYHOHBX-OAHLLOKOSA-N 0 0 450.482 4.865 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC001461340838 1067833776 /nfs/dbraw/zinc/83/37/76/1067833776.db2.gz INTMTPRKKYNTSK-KNQAVFIVSA-N 0 0 450.579 4.518 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2cc(F)c(F)cc2I)c1 ZINC001461343308 1067834115 /nfs/dbraw/zinc/83/41/15/1067834115.db2.gz NRTMCTOTQLAVGV-UHFFFAOYSA-N 0 0 459.230 4.777 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C)c1ccc(I)cc1 ZINC001461343293 1067834241 /nfs/dbraw/zinc/83/42/41/1067834241.db2.gz NQTXKLPXGCYUEG-RHSMWYFYSA-N 0 0 457.352 4.508 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001461347897 1067835138 /nfs/dbraw/zinc/83/51/38/1067835138.db2.gz ZVLOEHZKBKCBIJ-HSZRJFAPSA-N 0 0 453.627 4.902 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)CCCC2)c1 ZINC001461346805 1067835428 /nfs/dbraw/zinc/83/54/28/1067835428.db2.gz ZRPJCILSPXRABM-UHFFFAOYSA-N 0 0 457.592 4.984 20 0 JJADRN CCOc1c(Br)cc(C(=O)N2CCCC[C@H]2CC(=O)OC(C)(C)C)cc1OC ZINC001461347858 1067835477 /nfs/dbraw/zinc/83/54/77/1067835477.db2.gz ZUBKMXUGTLBQMN-HNNXBMFYSA-N 0 0 456.377 4.583 20 0 JJADRN Cc1cnn(-c2ccc(C)cc2NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001461359138 1067838182 /nfs/dbraw/zinc/83/81/82/1067838182.db2.gz SDRULRZIZTUFMT-UHFFFAOYSA-N 0 0 451.571 4.751 20 0 JJADRN O=C(NCc1cccc(Oc2ccc(F)cc2)n1)c1csc(I)c1 ZINC001461359506 1067838215 /nfs/dbraw/zinc/83/82/15/1067838215.db2.gz LXCGEHZAMPBYQF-UHFFFAOYSA-N 0 0 454.264 4.609 20 0 JJADRN Cc1noc(CSc2ccccc2C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)n1 ZINC001461360825 1067838359 /nfs/dbraw/zinc/83/83/59/1067838359.db2.gz OEUXOJBVFQBNTI-UHFFFAOYSA-N 0 0 450.495 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2Br)C12CCCC2 ZINC001461363983 1067838882 /nfs/dbraw/zinc/83/88/82/1067838882.db2.gz MVIKBRWGHVEKJW-MRXNPFEDSA-N 0 0 459.331 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC001461363580 1067838981 /nfs/dbraw/zinc/83/89/81/1067838981.db2.gz ZIZNIACGEOATPE-CPJSRVTESA-N 0 0 455.530 4.666 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)ccc1Br ZINC001461366233 1067839739 /nfs/dbraw/zinc/83/97/39/1067839739.db2.gz WRTJJKJAFLEXFH-KRWDZBQOSA-N 0 0 453.377 4.510 20 0 JJADRN CC(C)c1cccc(NC(=O)COC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1 ZINC001461371319 1067840109 /nfs/dbraw/zinc/84/01/09/1067840109.db2.gz ZRBHCEGWCLNBLE-JOCHJYFZSA-N 0 0 459.384 4.891 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccccc1OCCOc1ccccc1)C2 ZINC001461368043 1067840141 /nfs/dbraw/zinc/84/01/41/1067840141.db2.gz FUZQEYRORRPOOK-KMRXNPHXSA-N 0 0 480.605 4.911 20 0 JJADRN C[C@@H](COCC1CC1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001461369861 1067840204 /nfs/dbraw/zinc/84/02/04/1067840204.db2.gz YFEITZSHBOGPJH-NSHDSACASA-N 0 0 451.823 4.724 20 0 JJADRN CN(c1ccc(OCC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC001461371479 1067840729 /nfs/dbraw/zinc/84/07/29/1067840729.db2.gz QRPZIZAXHGAZCX-SQJMNOBHSA-N 0 0 480.630 4.985 20 0 JJADRN COc1ccc(C[C@H]2CCCCN2C(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC001461378368 1067841880 /nfs/dbraw/zinc/84/18/80/1067841880.db2.gz IQVBSBWITUYXSV-LJQANCHMSA-N 0 0 454.368 4.881 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001461380484 1067842296 /nfs/dbraw/zinc/84/22/96/1067842296.db2.gz NHGAWCSPAGEUCB-SIBVEZHUSA-N 0 0 473.614 4.730 20 0 JJADRN Cc1cc(I)ccc1NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461380679 1067842726 /nfs/dbraw/zinc/84/27/26/1067842726.db2.gz WGVZHTIWOQNQJJ-LBPRGKRZSA-N 0 0 458.262 4.857 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461381967 1067843409 /nfs/dbraw/zinc/84/34/09/1067843409.db2.gz SCUOPHNJNCTSRK-QKKBWIMNSA-N 0 0 455.368 4.664 20 0 JJADRN CCCN1C(=O)CCc2cc(NCc3c(Br)cncc3Br)ccc21 ZINC001461383109 1067843829 /nfs/dbraw/zinc/84/38/29/1067843829.db2.gz UDYJFZNKARYSHB-UHFFFAOYSA-N 0 0 453.178 4.908 20 0 JJADRN O=C(c1cnc(-c2ccccc2Cl)nc1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461387676 1067844619 /nfs/dbraw/zinc/84/46/19/1067844619.db2.gz VHMNVVFCQDOVEF-UHFFFAOYSA-N 0 0 457.759 4.522 20 0 JJADRN COCc1ccc(NC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)cc1C(F)(F)F ZINC001461392245 1067845053 /nfs/dbraw/zinc/84/50/53/1067845053.db2.gz MZOSSRMGINAEOQ-GOSISDBHSA-N 0 0 454.445 4.918 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC001461396602 1067845944 /nfs/dbraw/zinc/84/59/44/1067845944.db2.gz JVGUASCFCVNJEO-NRFANRHFSA-N 0 0 456.608 4.563 20 0 JJADRN COC[C@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OC)c1 ZINC001461400874 1067846696 /nfs/dbraw/zinc/84/66/96/1067846696.db2.gz OOAOZGVNNNBWBF-KRWDZBQOSA-N 0 0 451.363 4.616 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)cc1 ZINC001461404079 1067847162 /nfs/dbraw/zinc/84/71/62/1067847162.db2.gz BAIUVNAFTUJJLT-NRFANRHFSA-N 0 0 459.384 4.535 20 0 JJADRN CC(=O)N[C@H](C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)c1cccc(Br)c1 ZINC001461409947 1067849007 /nfs/dbraw/zinc/84/90/07/1067849007.db2.gz JVNCDFSXTIAHOM-SFHVURJKSA-N 0 0 456.167 4.518 20 0 JJADRN O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001461412236 1067849688 /nfs/dbraw/zinc/84/96/88/1067849688.db2.gz XHDMFVIRKVIZAH-UHFFFAOYSA-N 0 0 450.343 4.759 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)C1 ZINC001461414596 1067850379 /nfs/dbraw/zinc/85/03/79/1067850379.db2.gz VRRYWKUPACMUHA-MEBBXXQBSA-N 0 0 456.686 4.898 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001461417473 1067851287 /nfs/dbraw/zinc/85/12/87/1067851287.db2.gz UXMQQYIYIKOJEN-JOCHJYFZSA-N 0 0 456.505 4.908 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC001461417981 1067851301 /nfs/dbraw/zinc/85/13/01/1067851301.db2.gz XAUQWHQKNGEICR-OAQYLSRUSA-N 0 0 450.482 4.867 20 0 JJADRN O=C(c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001461418350 1067851614 /nfs/dbraw/zinc/85/16/14/1067851614.db2.gz JWVCCZWVUFOVNL-ACJLOTCBSA-N 0 0 452.473 4.736 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001461428343 1067853666 /nfs/dbraw/zinc/85/36/66/1067853666.db2.gz RGPCSNADKAPQBJ-HTAPYJJXSA-N 0 0 476.386 4.916 20 0 JJADRN COc1ccc(CN[C@H](CCO)c2ccccc2Br)cc1OCc1cccnc1 ZINC001461431622 1067854825 /nfs/dbraw/zinc/85/48/25/1067854825.db2.gz PQDIQBOYGTYRMH-OAQYLSRUSA-N 0 0 457.368 4.645 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001461432418 1067855101 /nfs/dbraw/zinc/85/51/01/1067855101.db2.gz RLJCTPZKHRRDPR-VBKZILBWSA-N 0 0 460.759 4.890 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(F)(F)CC2)CCC1 ZINC001546124262 1067856300 /nfs/dbraw/zinc/85/63/00/1067856300.db2.gz QGTZCCKVJRNDMO-UHFFFAOYSA-N 0 0 451.949 4.677 20 0 JJADRN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCc2nccs2)CCCC1 ZINC001546124290 1067856766 /nfs/dbraw/zinc/85/67/66/1067856766.db2.gz QYOMJKPJNJXQGF-UHFFFAOYSA-N 0 0 487.073 4.967 20 0 JJADRN COc1cc(OC)c(NCc2ccc(I)s2)cc1Br ZINC001461443104 1067857764 /nfs/dbraw/zinc/85/77/64/1067857764.db2.gz HSIXVWOUEQLMQZ-UHFFFAOYSA-N 0 0 454.127 4.745 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1cn2ccc(Br)cc2n1 ZINC001461444843 1067858136 /nfs/dbraw/zinc/85/81/36/1067858136.db2.gz SGNNJXQMURIQHE-UHFFFAOYSA-N 0 0 459.388 4.723 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)c1Cl ZINC001461444478 1067858156 /nfs/dbraw/zinc/85/81/56/1067858156.db2.gz PGTMVSMMQYQMJX-RBZFPXEDSA-N 0 0 450.428 4.606 20 0 JJADRN COc1cccc(/C=C/c2cc(C(=O)NC[C@@H](C)OC)c3cc(Br)ccc3n2)c1 ZINC001461446584 1067858653 /nfs/dbraw/zinc/85/86/53/1067858653.db2.gz XNKDVKQTAGUUQA-LOWQCSRCSA-N 0 0 455.352 4.941 20 0 JJADRN O=C(c1csc(C2CCCCC2)n1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447462 1067859146 /nfs/dbraw/zinc/85/91/46/1067859146.db2.gz MGAHFSVFWSFHIV-WMZOPIPTSA-N 0 0 457.562 4.986 20 0 JJADRN O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461449715 1067859510 /nfs/dbraw/zinc/85/95/10/1067859510.db2.gz UNUIIBDCHWEXBP-KDOFPFPSSA-N 0 0 455.908 4.546 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CCOCC1 ZINC001546124384 1067859519 /nfs/dbraw/zinc/85/95/19/1067859519.db2.gz UOTAEJUQLINGKR-UHFFFAOYSA-N 0 0 471.646 4.706 20 0 JJADRN O=C(c1cc2ccnc(Cl)c2s1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448817 1067859540 /nfs/dbraw/zinc/85/95/40/1067859540.db2.gz QRWLOTPLLBMDCL-ZIAGYGMSSA-N 0 0 459.921 4.745 20 0 JJADRN CC(C)(C)OC(=O)c1ccc2c(c1)CCCN2C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001461452842 1067860226 /nfs/dbraw/zinc/86/02/26/1067860226.db2.gz WDNYLMRLLPNLJX-UHFFFAOYSA-N 0 0 459.468 4.990 20 0 JJADRN O=C(NCC(F)(F)F)c1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461460055 1067862296 /nfs/dbraw/zinc/86/22/96/1067862296.db2.gz DIIUKWNGVJHJPL-UHFFFAOYSA-N 0 0 456.390 4.854 20 0 JJADRN COc1cccc(-c2csc(CNCc3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)n2)c1 ZINC001461462240 1067862717 /nfs/dbraw/zinc/86/27/17/1067862717.db2.gz NRSSNAFAWNIDPT-UHFFFAOYSA-N 0 0 456.511 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001461465757 1067863708 /nfs/dbraw/zinc/86/37/08/1067863708.db2.gz AVRWKIOYYUVLTC-HUUCEWRRSA-N 0 0 454.411 4.623 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@H]1CSCc2ccc(Br)cc21 ZINC001461467675 1067864534 /nfs/dbraw/zinc/86/45/34/1067864534.db2.gz OUVDKUZTYNRCER-SFHVURJKSA-N 0 0 458.381 4.926 20 0 JJADRN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)O2 ZINC001461469441 1067865192 /nfs/dbraw/zinc/86/51/92/1067865192.db2.gz GFHNFIZODBZZAN-CQOQZXRMSA-N 0 0 468.569 4.737 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)nn1C ZINC001461469967 1067865278 /nfs/dbraw/zinc/86/52/78/1067865278.db2.gz LMSPUOPRRRNNSP-UHFFFAOYSA-N 0 0 454.552 4.626 20 0 JJADRN CO[C@](C)(CNC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C)COCc1ccccc1 ZINC001461470667 1067865879 /nfs/dbraw/zinc/86/58/79/1067865879.db2.gz CPEPKLJLPONDCU-MUUNZHRXSA-N 0 0 457.574 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001461472433 1067866377 /nfs/dbraw/zinc/86/63/77/1067866377.db2.gz ANBHUHPZYYIFQJ-NXWNEQKCSA-N 0 0 456.533 4.978 20 0 JJADRN Cc1cc(CNc2cnc(N3CCOCC3)c(Br)c2)ccc1Oc1cccnc1 ZINC001461472363 1067866496 /nfs/dbraw/zinc/86/64/96/1067866496.db2.gz FAIQERROEACOOU-UHFFFAOYSA-N 0 0 455.356 4.789 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)nn1C ZINC001461472398 1067866517 /nfs/dbraw/zinc/86/65/17/1067866517.db2.gz VPDFMAKYKUAGAL-ZDUSSCGKSA-N 0 0 454.493 4.904 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H](C)c2ccncc2)cc1F ZINC001461473296 1067866944 /nfs/dbraw/zinc/86/69/44/1067866944.db2.gz SDMAPSOHGIYXJK-XJABCFGWSA-N 0 0 471.573 4.632 20 0 JJADRN FC(F)(F)c1ccc(Cl)c(CNc2cnc(N3CCOCC3)c(Br)c2)c1 ZINC001461474069 1067867322 /nfs/dbraw/zinc/86/73/22/1067867322.db2.gz IGHLCPPPEFRRQH-UHFFFAOYSA-N 0 0 450.686 4.965 20 0 JJADRN CCCOc1c(Br)cc(CNc2ccc(OC)c(NC(N)=O)c2)cc1OCC ZINC001461474530 1067867631 /nfs/dbraw/zinc/86/76/31/1067867631.db2.gz XKEZDRMZFXGYMY-UHFFFAOYSA-N 0 0 452.349 4.748 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CSc2ccccc2)cc1F ZINC001461474621 1067867656 /nfs/dbraw/zinc/86/76/56/1067867656.db2.gz WYPCBIUZLWTOJV-FPOVZHCZSA-N 0 0 474.598 4.836 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cncc(CC)c2)cc1 ZINC001461475233 1067868149 /nfs/dbraw/zinc/86/81/49/1067868149.db2.gz JNPDXOJONUXORG-GOTSBHOMSA-N 0 0 453.583 4.566 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)COc2cccc(C)c2)cc1 ZINC001461479031 1067870001 /nfs/dbraw/zinc/87/00/01/1067870001.db2.gz RQUJLXYNORTDTN-ZEQRLZLVSA-N 0 0 468.594 4.682 20 0 JJADRN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C2 ZINC001461479156 1067870076 /nfs/dbraw/zinc/87/00/76/1067870076.db2.gz QYRQZTBCZWYENB-AKFKNWHVSA-N 0 0 468.569 4.655 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)C2)c1 ZINC001461480437 1067870544 /nfs/dbraw/zinc/87/05/44/1067870544.db2.gz TVPBHSSSIQRMTI-SDUSCBPUSA-N 0 0 477.605 4.706 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC001461481256 1067870934 /nfs/dbraw/zinc/87/09/34/1067870934.db2.gz YKAXDPKBMUFLKP-VSDWSMLSSA-N 0 0 466.578 4.542 20 0 JJADRN Cc1nnc(-c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)cc2)o1 ZINC001461481594 1067871212 /nfs/dbraw/zinc/87/12/12/1067871212.db2.gz YZIPERVZPVKPPP-FGZHOGPDSA-N 0 0 462.550 4.568 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(OCc2ccncc2)cc1 ZINC001461483911 1067871570 /nfs/dbraw/zinc/87/15/70/1067871570.db2.gz CQJXVZNQMRTFJV-UHFFFAOYSA-N 0 0 451.592 4.756 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC001461484399 1067872111 /nfs/dbraw/zinc/87/21/11/1067872111.db2.gz HRKMQZHQBFHQLS-UHFFFAOYSA-N 0 0 453.395 4.658 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3cc(I)c(C)cc3C)n2)cc1 ZINC001461485458 1067872220 /nfs/dbraw/zinc/87/22/20/1067872220.db2.gz JYGMDSIKOVYYDW-UHFFFAOYSA-N 0 0 459.287 4.626 20 0 JJADRN COC(=O)c1c(Cl)cc(F)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC001461487372 1067873164 /nfs/dbraw/zinc/87/31/64/1067873164.db2.gz CDXVMXULEQPIMY-UHFFFAOYSA-N 0 0 452.873 4.775 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1cccc(COc2ccccc2)c1 ZINC001461492213 1067874859 /nfs/dbraw/zinc/87/48/59/1067874859.db2.gz SNKPHJVBDYBTQL-UHFFFAOYSA-N 0 0 454.592 4.963 20 0 JJADRN CCOc1ccc(NCc2c(C)nn(-c3ccccc3)c2C)cc1S(=O)(=O)N(CC)CC ZINC001461494926 1067875544 /nfs/dbraw/zinc/87/55/44/1067875544.db2.gz VDDYTXMKDJESTM-UHFFFAOYSA-N 0 0 456.612 4.530 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001461496547 1067876531 /nfs/dbraw/zinc/87/65/31/1067876531.db2.gz VRCTZNHDTLWIHC-YFHOEESVSA-N 0 0 452.576 4.650 20 0 JJADRN O=C(OCc1ccc(CF)cc1)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001461500301 1067877233 /nfs/dbraw/zinc/87/72/33/1067877233.db2.gz AKGGRPNAAHPWHT-KRWDZBQOSA-N 0 0 452.295 4.653 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC001461507716 1067878748 /nfs/dbraw/zinc/87/87/48/1067878748.db2.gz CFLBIXWXWJKNSG-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H]2c2c(C)cccc2C)c1 ZINC001461507222 1067878854 /nfs/dbraw/zinc/87/88/54/1067878854.db2.gz FOTCEHCNDBTXCP-IBGZPJMESA-N 0 0 450.398 4.837 20 0 JJADRN Cc1cc(C(=O)Nc2cccnc2C(=O)OC(C)(C)C)nn1-c1ccc(Br)cc1 ZINC001461506810 1067878880 /nfs/dbraw/zinc/87/88/80/1067878880.db2.gz XXSBBXOKSAYLHJ-UHFFFAOYSA-N 0 0 457.328 4.546 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)[C@]3(C(=O)OC(C)(C)C)CC3(C)C)nc21 ZINC001461519197 1067880338 /nfs/dbraw/zinc/88/03/38/1067880338.db2.gz KOGJRINFLKZLIJ-IBGZPJMESA-N 0 0 455.374 4.764 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)Cc1noc2ccc(Br)cc12 ZINC001461524144 1067880786 /nfs/dbraw/zinc/88/07/86/1067880786.db2.gz SZUBDOMFSFXPAA-UHFFFAOYSA-N 0 0 453.134 4.800 20 0 JJADRN CC(C)(C)Sc1c(F)cc(NCc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)cc1F ZINC001461521318 1067881006 /nfs/dbraw/zinc/88/10/06/1067881006.db2.gz NYMLGHGMBLYBCA-UHFFFAOYSA-N 0 0 456.518 4.987 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)Cc1ccc(-n2cnnc2)cc1)C(F)(F)F ZINC001461527286 1067881437 /nfs/dbraw/zinc/88/14/37/1067881437.db2.gz JYTJNQGHPBNEEA-GOSISDBHSA-N 0 0 454.246 4.728 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1nc(-c2ccccc2)cs1 ZINC001461531680 1067882176 /nfs/dbraw/zinc/88/21/76/1067882176.db2.gz YBFILQQUQXWMGJ-UHFFFAOYSA-N 0 0 454.720 4.998 20 0 JJADRN Cc1ccc2ncc(C(=O)O[C@H](c3ccc(Br)cc3C)C(F)(F)F)c(=O)n2c1 ZINC001461532282 1067882568 /nfs/dbraw/zinc/88/25/68/1067882568.db2.gz YRBAPKPNZRRTFZ-MRXNPFEDSA-N 0 0 455.230 4.534 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1ccc(Cn2cccc2)cc1 ZINC001461531941 1067882610 /nfs/dbraw/zinc/88/26/10/1067882610.db2.gz ZOYLMZKHZNADJW-UHFFFAOYSA-N 0 0 450.707 4.724 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC001461534183 1067883305 /nfs/dbraw/zinc/88/33/05/1067883305.db2.gz JUSBBZAORAFZTB-UHFFFAOYSA-N 0 0 458.967 4.778 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)c3ccccc3n2)c(C)c1 ZINC001461533942 1067883352 /nfs/dbraw/zinc/88/33/52/1067883352.db2.gz ABGAKZVOZBSOGS-DENIHFKCSA-N 0 0 476.520 4.566 20 0 JJADRN CCc1ccccc1[C@H](CNCc1ncc(Br)cc1F)NC(=O)OC(C)(C)C ZINC001461548521 1067886166 /nfs/dbraw/zinc/88/61/66/1067886166.db2.gz HOQWFKBSTJNWBE-SFHVURJKSA-N 0 0 452.368 4.901 20 0 JJADRN C[C@@H](CC(=O)Nc1nccc(F)c1I)c1ccccc1C(F)(F)F ZINC001461550182 1067886273 /nfs/dbraw/zinc/88/62/73/1067886273.db2.gz QLRJOAUTOPMWBX-VIFPVBQESA-N 0 0 452.189 4.976 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3ccc(C(=O)N4CCOCC4)cc3C)cc12 ZINC001461550561 1067886686 /nfs/dbraw/zinc/88/66/86/1067886686.db2.gz LHSZWJRNXJZNHD-UHFFFAOYSA-N 0 0 455.990 4.541 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3c(Br)ncc4ccccc43)cc2C1=O ZINC001461554679 1067887756 /nfs/dbraw/zinc/88/77/56/1067887756.db2.gz RQFRHCOVUPOLPQ-UHFFFAOYSA-N 0 0 452.308 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC/C=C\c2ccc(F)cc2)CC1 ZINC001461559499 1067888016 /nfs/dbraw/zinc/88/80/16/1067888016.db2.gz MPHYRVHJULGHJS-SREVYHEPSA-N 0 0 455.574 4.883 20 0 JJADRN CC[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1cc(OC)cc(OC)c1 ZINC001461558793 1067888043 /nfs/dbraw/zinc/88/80/43/1067888043.db2.gz GKGIVDWSOXMZGS-SFHVURJKSA-N 0 0 451.972 4.965 20 0 JJADRN COc1cccc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1OC(C)C ZINC001461560006 1067888595 /nfs/dbraw/zinc/88/85/95/1067888595.db2.gz OIFFTVOURUJHFL-UHFFFAOYSA-N 0 0 453.004 4.923 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(NCc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001461563320 1067889472 /nfs/dbraw/zinc/88/94/72/1067889472.db2.gz GPLFVLKCKSOJOA-OALUTQOASA-N 0 0 453.583 4.573 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(OCc2ccccc2)cc1 ZINC001461565863 1067889704 /nfs/dbraw/zinc/88/97/04/1067889704.db2.gz SKLOZHHSZLUWKY-UHFFFAOYSA-N 0 0 454.592 4.915 20 0 JJADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccc(C)cc2)CCCC1 ZINC001546125341 1067889833 /nfs/dbraw/zinc/88/98/33/1067889833.db2.gz BYXLIIMEJMRBQD-FPOVZHCZSA-N 0 0 459.660 4.509 20 0 JJADRN CN(C(=O)c1ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1)C1CCOCC1 ZINC001461565780 1067889981 /nfs/dbraw/zinc/88/99/81/1067889981.db2.gz RUVCYYWCRFESRE-UHFFFAOYSA-N 0 0 458.484 4.754 20 0 JJADRN CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC001461565965 1067890015 /nfs/dbraw/zinc/89/00/15/1067890015.db2.gz YHPOHYGWQQSRPH-UHFFFAOYSA-N 0 0 456.029 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)C1 ZINC001461570300 1067890750 /nfs/dbraw/zinc/89/07/50/1067890750.db2.gz ZWXNDTPOERFZKZ-MRXNPFEDSA-N 0 0 452.338 4.949 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(Br)cc2Cl)C12CCC2 ZINC001461573951 1067891579 /nfs/dbraw/zinc/89/15/79/1067891579.db2.gz ISVJLCCDVUMLBB-MRXNPFEDSA-N 0 0 457.796 4.693 20 0 JJADRN COc1ccc(C2(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC2)cc1OC ZINC001461575889 1067892013 /nfs/dbraw/zinc/89/20/13/1067892013.db2.gz NRHACXHQOKPVEC-NRFANRHFSA-N 0 0 458.599 4.564 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(F)(F)c2cccc(Br)c2)C12CCC2 ZINC001461581594 1067893431 /nfs/dbraw/zinc/89/34/31/1067893431.db2.gz YLFAGGJXZOGEHQ-HNNXBMFYSA-N 0 0 459.331 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COC(c2ccccc2)c2ccccc2)C12CCC2 ZINC001461580622 1067893680 /nfs/dbraw/zinc/89/36/80/1067893680.db2.gz WBYHRNDYSRKUOY-QFIPXVFZSA-N 0 0 450.579 4.841 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001461580630 1067893702 /nfs/dbraw/zinc/89/37/02/1067893702.db2.gz WCSCAHSEVMYXBK-SFHVURJKSA-N 0 0 458.990 4.555 20 0 JJADRN Cn1c(CN[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)nc2cc(C(F)(F)F)ccc21 ZINC001461584428 1067894245 /nfs/dbraw/zinc/89/42/45/1067894245.db2.gz RVXOUTFRPWDGCI-AWEZNQCLSA-N 0 0 454.415 4.527 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001461585526 1067894321 /nfs/dbraw/zinc/89/43/21/1067894321.db2.gz XVZAZTAQPJFCLB-NRFANRHFSA-N 0 0 455.341 4.886 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC001461585127 1067894506 /nfs/dbraw/zinc/89/45/06/1067894506.db2.gz XKKCZJKIEGOIPB-AREMUKBSSA-N 0 0 456.542 4.562 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](CCOC)C2)CCOCC1 ZINC001546125576 1067895503 /nfs/dbraw/zinc/89/55/03/1067895503.db2.gz HEYOWDFMMXIAIN-PMACEKPBSA-N 0 0 460.594 4.627 20 0 JJADRN CCCOc1ccc(Br)cc1CNc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC001461591372 1067895702 /nfs/dbraw/zinc/89/57/02/1067895702.db2.gz LEKNYVQSWKDFJS-UHFFFAOYSA-N 0 0 455.418 4.881 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C12CCC2 ZINC001461592334 1067896417 /nfs/dbraw/zinc/89/64/17/1067896417.db2.gz BJQQCRXAOGGUHY-CEXWTWQISA-N 0 0 453.410 4.841 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461598509 1067898019 /nfs/dbraw/zinc/89/80/19/1067898019.db2.gz QCKFFDGGWJCUGC-QGZVFWFLSA-N 0 0 457.137 4.873 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)C2)c1 ZINC001461597936 1067898072 /nfs/dbraw/zinc/89/80/72/1067898072.db2.gz BOJSVQWUVAZAQY-LMSSTIIKSA-N 0 0 458.602 4.722 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC001546125621 1067898256 /nfs/dbraw/zinc/89/82/56/1067898256.db2.gz HYMZTELPXDBNMU-RTBURBONSA-N 0 0 460.594 4.768 20 0 JJADRN CCOc1cc(CNc2ccc(-n3nncc3C)cc2)cc(Br)c1OC(F)F ZINC001461600292 1067899090 /nfs/dbraw/zinc/89/90/90/1067899090.db2.gz PAVAVWMQCMHGGV-UHFFFAOYSA-N 0 0 453.287 4.950 20 0 JJADRN O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc2c(cc1Br)OCO2 ZINC001461604385 1067900107 /nfs/dbraw/zinc/90/01/07/1067900107.db2.gz IHZLYHPOSYUAET-UHFFFAOYSA-N 0 0 453.264 4.756 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1C(F)(F)F ZINC001461615965 1067902242 /nfs/dbraw/zinc/90/22/42/1067902242.db2.gz FUMQICJPEQSUJY-WFXMLNOXSA-N 0 0 478.511 4.960 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)NCCc1ccoc1 ZINC001461617124 1067902551 /nfs/dbraw/zinc/90/25/51/1067902551.db2.gz XKCDUMSETQGWOT-UHFFFAOYSA-N 0 0 450.336 4.796 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 ZINC001546125740 1067902605 /nfs/dbraw/zinc/90/26/05/1067902605.db2.gz KEHSNUBVKWTEAD-ROUUACIJSA-N 0 0 460.022 4.744 20 0 JJADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccc(C)c2)CCCC1 ZINC001546125791 1067903254 /nfs/dbraw/zinc/90/32/54/1067903254.db2.gz LFNRTIPXQKJVQF-TZIWHRDSSA-N 0 0 459.660 4.509 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c1Cl ZINC001461625803 1067904313 /nfs/dbraw/zinc/90/43/13/1067904313.db2.gz DLJVJQDHLKTKAX-UHFFFAOYSA-N 0 0 455.363 4.649 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N3CC(C)(C)c4ccc(Br)cc43)CC2=O)cc1 ZINC001461625570 1067904488 /nfs/dbraw/zinc/90/44/88/1067904488.db2.gz CWDSXVPGELGKDM-CQSZACIVSA-N 0 0 459.409 4.848 20 0 JJADRN COc1ccc(OCC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cc1C ZINC001461627191 1067904895 /nfs/dbraw/zinc/90/48/95/1067904895.db2.gz FVGNPXIZNVGFOC-UHFFFAOYSA-N 0 0 452.198 4.821 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3cccc(C4CCCCC4)c3)CC2)cc1 ZINC001461634399 1067906389 /nfs/dbraw/zinc/90/63/89/1067906389.db2.gz WNRYOZKLCYZTBP-UHFFFAOYSA-N 0 0 457.592 4.749 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CCC2=O)c1 ZINC001461637372 1067906893 /nfs/dbraw/zinc/90/68/93/1067906893.db2.gz KKQMKLJTJQNIJN-UHFFFAOYSA-N 0 0 450.539 4.796 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC001461638541 1067907264 /nfs/dbraw/zinc/90/72/64/1067907264.db2.gz VNLRMUQLONCRIH-UHFFFAOYSA-N 0 0 452.477 4.791 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1F ZINC001461639001 1067907322 /nfs/dbraw/zinc/90/73/22/1067907322.db2.gz JRVSLYMHWHHSGR-LBPRGKRZSA-N 0 0 456.333 4.568 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1F ZINC001461640261 1067907619 /nfs/dbraw/zinc/90/76/19/1067907619.db2.gz VRKASGAPPTUHKM-LLVKDONJSA-N 0 0 450.260 4.835 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cnc1OC ZINC001461640028 1067907648 /nfs/dbraw/zinc/90/76/48/1067907648.db2.gz DPBQLMPQKCEPDJ-AVRDEDQJSA-N 0 0 451.548 4.592 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cnc1OC ZINC001461640031 1067907653 /nfs/dbraw/zinc/90/76/53/1067907653.db2.gz DPBQLMPQKCEPDJ-GCJKJVERSA-N 0 0 451.548 4.592 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NCc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001461640431 1067908086 /nfs/dbraw/zinc/90/80/86/1067908086.db2.gz GNLJIGXHNMCHBD-UHFFFAOYSA-N 0 0 452.001 4.774 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(Cl)c1Cl ZINC001461647642 1067909023 /nfs/dbraw/zinc/90/90/23/1067909023.db2.gz MIQMBXYKJXVWKL-KKVAFCGZSA-N 0 0 479.351 4.832 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc([Si](C)(C)C)cc3)s2)cc1 ZINC001461648401 1067909333 /nfs/dbraw/zinc/90/93/33/1067909333.db2.gz JYDBNJOKYYMZPP-UHFFFAOYSA-N 0 0 452.652 4.527 20 0 JJADRN COc1cc(NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)ccc1OC(F)F ZINC001461650299 1067909701 /nfs/dbraw/zinc/90/97/01/1067909701.db2.gz VFJASSNCSZIGQL-UHFFFAOYSA-N 0 0 453.486 4.559 20 0 JJADRN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2cccnc2Oc2cccc(Br)c2)cn1 ZINC001461651429 1067910124 /nfs/dbraw/zinc/91/01/24/1067910124.db2.gz WVIZNOGWFPKHTR-OXJNMPFZSA-N 0 0 455.356 4.511 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2cccnc2Oc2cccc(Br)c2)cn1 ZINC001461651430 1067910130 /nfs/dbraw/zinc/91/01/30/1067910130.db2.gz WVIZNOGWFPKHTR-OXQOHEQNSA-N 0 0 455.356 4.511 20 0 JJADRN NC(=O)c1csc(CNC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 ZINC001461657384 1067911721 /nfs/dbraw/zinc/91/17/21/1067911721.db2.gz JQWPSKMWAHTLMR-UHFFFAOYSA-N 0 0 452.388 4.771 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CCN1C(=O)OC(C)(C)C ZINC001461658540 1067911752 /nfs/dbraw/zinc/91/17/52/1067911752.db2.gz LRWGJVWGQMTQGX-NKKJXINNSA-N 0 0 479.621 4.596 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@@H](n1cccn1)C(F)(F)F ZINC001461663911 1067913352 /nfs/dbraw/zinc/91/33/52/1067913352.db2.gz ZAEBRAIXPUCCIA-OAHLLOKOSA-N 0 0 451.802 4.943 20 0 JJADRN O=C([C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)N(Cc1ccccc1F)CC1CC1 ZINC001461663984 1067913411 /nfs/dbraw/zinc/91/34/11/1067913411.db2.gz GSBNANRZLHYYOY-NRFANRHFSA-N 0 0 459.359 4.518 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)N(Cc2ccccc2F)CC2CC2)[C@H]1c1ccc(OC)cc1 ZINC001461664754 1067913458 /nfs/dbraw/zinc/91/34/58/1067913458.db2.gz KJSHDQPFTXETKO-ZEQKJWHPSA-N 0 0 452.570 4.963 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N(Cc2ccccc2F)CC2CC2)=NN1c1ccccc1 ZINC001461663921 1067913486 /nfs/dbraw/zinc/91/34/86/1067913486.db2.gz GEAULODBXAGRBT-HSZRJFAPSA-N 0 0 451.542 4.541 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2scc(Br)c2Br)CCCC(C)(C)C1 ZINC001461664423 1067913510 /nfs/dbraw/zinc/91/35/10/1067913510.db2.gz QCGBGCSIRHEMSM-HNNXBMFYSA-N 0 0 453.196 4.515 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc(C)c(C)cc2Cl)CCc2cc(Br)ccc2C1 ZINC001461668105 1067914246 /nfs/dbraw/zinc/91/42/46/1067914246.db2.gz CCJGNGIASFKQJO-OAQYLSRUSA-N 0 0 450.760 4.550 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2ccc(Cl)cc2Cl)CCc2cc(Br)ccc2C1 ZINC001461674050 1067915423 /nfs/dbraw/zinc/91/54/23/1067915423.db2.gz XAPCEQJJXWDUSA-LJQANCHMSA-N 0 0 457.151 4.586 20 0 JJADRN Brc1cc(I)cc(NCc2cnn(-c3ccccc3)c2)c1 ZINC001461673651 1067915536 /nfs/dbraw/zinc/91/55/36/1067915536.db2.gz TWGTWTILHXATOZ-UHFFFAOYSA-N 0 0 454.109 4.852 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676526 1067915991 /nfs/dbraw/zinc/91/59/91/1067915991.db2.gz FVLDLSQSTDJYKH-LJQANCHMSA-N 0 0 459.468 4.682 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@@H](c3ccccn3)C3CCC3)cc2Br)on1 ZINC001461677109 1067916314 /nfs/dbraw/zinc/91/63/14/1067916314.db2.gz JCAIAMJLTPWXSS-OAQYLSRUSA-N 0 0 456.340 4.991 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@H](c3ccccn3)C3CCC3)cc2Br)on1 ZINC001461677105 1067916335 /nfs/dbraw/zinc/91/63/35/1067916335.db2.gz JCAIAMJLTPWXSS-NRFANRHFSA-N 0 0 456.340 4.991 20 0 JJADRN Cc1c(=O)n(C)c2ccccc2c1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001461678777 1067916449 /nfs/dbraw/zinc/91/64/49/1067916449.db2.gz AMRFCWIAGJBHJO-QGZVFWFLSA-N 0 0 457.393 4.966 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cc(Br)cnc1Br ZINC001461681434 1067917323 /nfs/dbraw/zinc/91/73/23/1067917323.db2.gz CKUCMLOIIRNTNV-ZUZCIYMTSA-N 0 0 474.580 4.862 20 0 JJADRN O=C(N[C@H]1CCCSc2ccc(Br)cc21)C1CCN(CC(F)(F)F)CC1 ZINC001461680837 1067917382 /nfs/dbraw/zinc/91/73/82/1067917382.db2.gz LWFOQNNOFFOIHF-HNNXBMFYSA-N 0 0 451.352 4.767 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C)cc1 ZINC001461682570 1067917516 /nfs/dbraw/zinc/91/75/16/1067917516.db2.gz CYNLHLMDTJDEGL-GOTSBHOMSA-N 0 0 451.567 4.713 20 0 JJADRN COC(=O)C(C)(C)n1ccc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1 ZINC001461685563 1067918267 /nfs/dbraw/zinc/91/82/67/1067918267.db2.gz QTAIGOJDQDTEEX-UHFFFAOYSA-N 0 0 453.442 4.671 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001461687436 1067918347 /nfs/dbraw/zinc/91/83/47/1067918347.db2.gz PMRSOWQBLRHRMW-KZJSRBBCSA-N 0 0 459.365 4.537 20 0 JJADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001546126306 1067919181 /nfs/dbraw/zinc/91/91/81/1067919181.db2.gz UWYNLAZLKZRIIS-GOSISDBHSA-N 0 0 481.563 4.538 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N[C@H]1CCc3cc(NC(=O)OC(C)(C)C)ccc31)C2 ZINC001461690515 1067919194 /nfs/dbraw/zinc/91/91/94/1067919194.db2.gz RFYPPHGEJRGTTN-HFZDXXHNSA-N 0 0 450.535 4.617 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC001461695072 1067919972 /nfs/dbraw/zinc/91/99/72/1067919972.db2.gz UNHSYNHSGJIQSC-QZTJIDSGSA-N 0 0 480.200 4.683 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001461695885 1067920426 /nfs/dbraw/zinc/92/04/26/1067920426.db2.gz QOBZYCGAAKCCEU-SFHVURJKSA-N 0 0 454.290 4.785 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461695359 1067920472 /nfs/dbraw/zinc/92/04/72/1067920472.db2.gz ZZWTUSRCXGOPSX-WOJBJXKFSA-N 0 0 463.803 4.893 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CNCc2cc3c([nH]c2=O)CCCC3)cc1Br ZINC001461699833 1067921294 /nfs/dbraw/zinc/92/12/94/1067921294.db2.gz OFECTDVPXRFLKX-CYBMUJFWSA-N 0 0 453.352 4.539 20 0 JJADRN CC(=O)N1CCN(c2ccc(NCc3c(C)nn(-c4cccc(Cl)c4)c3Cl)cc2)CC1 ZINC001461701660 1067921484 /nfs/dbraw/zinc/92/14/84/1067921484.db2.gz KHWISZFHLJCTGM-UHFFFAOYSA-N 0 0 458.393 4.768 20 0 JJADRN O=c1[nH]c(CNCc2cc(F)ccc2Oc2ccc(Cl)c(Cl)c2)nc2c1COCC2 ZINC001461704500 1067922330 /nfs/dbraw/zinc/92/23/30/1067922330.db2.gz NDZOJTFVBNMEMS-UHFFFAOYSA-N 0 0 450.297 4.783 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N[C@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1 ZINC001461709475 1067923111 /nfs/dbraw/zinc/92/31/11/1067923111.db2.gz ACWLWRYHFVZDLB-KNQAVFIVSA-N 0 0 455.396 4.690 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(F)F ZINC001461717975 1067924395 /nfs/dbraw/zinc/92/43/95/1067924395.db2.gz OUZRCVTUHMRNOT-XIKOKIGWSA-N 0 0 459.276 4.762 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC001461719355 1067924817 /nfs/dbraw/zinc/92/48/17/1067924817.db2.gz JSXRLQFBSZFZGW-QGZVFWFLSA-N 0 0 453.926 4.961 20 0 JJADRN C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC001461722024 1067925492 /nfs/dbraw/zinc/92/54/92/1067925492.db2.gz MFAQTESPWFBZTK-NRFANRHFSA-N 0 0 451.588 4.519 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)ccc1F ZINC001461722049 1067925503 /nfs/dbraw/zinc/92/55/03/1067925503.db2.gz XPGRWHSKSXSTSO-IIBYNOLFSA-N 0 0 459.359 4.833 20 0 JJADRN CCCCS(=O)(=O)N1CCC(C(=O)O[C@H](c2ccc3ccccc3c2)C(F)(F)F)CC1 ZINC001461723754 1067925582 /nfs/dbraw/zinc/92/55/82/1067925582.db2.gz QMVGGMJKEZOVIW-HXUWFJFHSA-N 0 0 457.514 4.828 20 0 JJADRN COc1cc(NCc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c2nccc(OC)c2c1 ZINC001461726677 1067926703 /nfs/dbraw/zinc/92/67/03/1067926703.db2.gz DRPQEVYGXVASLV-UHFFFAOYSA-N 0 0 456.568 4.614 20 0 JJADRN CCc1c(Br)cc(C(=O)Nc2cc(C(F)(F)F)nn2C)cc1Br ZINC001461734962 1067927448 /nfs/dbraw/zinc/92/74/48/1067927448.db2.gz JSUVCESRKLRSKS-UHFFFAOYSA-N 0 0 455.072 4.779 20 0 JJADRN Cc1cc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001461736286 1067927793 /nfs/dbraw/zinc/92/77/93/1067927793.db2.gz PVMUQQIZLUOCSJ-OAQYLSRUSA-N 0 0 453.370 4.617 20 0 JJADRN COc1cccc([C@H](CNC(=O)c2csc(-c3cc(Br)cs3)n2)OC)c1 ZINC001461739490 1067928154 /nfs/dbraw/zinc/92/81/54/1067928154.db2.gz ARZBZQYHQOKKLG-HNNXBMFYSA-N 0 0 453.383 4.760 20 0 JJADRN Cc1ccc(CN(C(=O)c2cnn(C(C)(C)C)c2I)C(C)(C)C)cc1 ZINC001461740254 1067928537 /nfs/dbraw/zinc/92/85/37/1067928537.db2.gz KUCSWTOJSYPOAT-UHFFFAOYSA-N 0 0 453.368 4.992 20 0 JJADRN COc1cccc([C@H](CNC(=O)CCc2ncc(-c3ccccc3Br)o2)OC)c1 ZINC001461747988 1067929869 /nfs/dbraw/zinc/92/98/69/1067929869.db2.gz RKZFYPYPCHSCMV-IBGZPJMESA-N 0 0 459.340 4.549 20 0 JJADRN CC[C@@H](C)[C@@H](OC)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461749245 1067930296 /nfs/dbraw/zinc/93/02/96/1067930296.db2.gz USELSSWXQHVJFR-HYBUGGRVSA-N 0 0 450.579 4.765 20 0 JJADRN FC(F)(F)c1ccc(Br)c(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC001461755367 1067930909 /nfs/dbraw/zinc/93/09/09/1067930909.db2.gz QZWPCYGIFPZLCN-UHFFFAOYSA-N 0 0 454.246 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)CC(F)(F)F ZINC001461768031 1067933351 /nfs/dbraw/zinc/93/33/51/1067933351.db2.gz VWQPUAVLQGEQKB-JKSUJKDBSA-N 0 0 450.473 4.644 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1ccc(F)c(Br)c1F ZINC001461772754 1067934534 /nfs/dbraw/zinc/93/45/34/1067934534.db2.gz LFZSRVQSGVGMJG-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1)NC(C)=O ZINC001461772763 1067934575 /nfs/dbraw/zinc/93/45/75/1067934575.db2.gz XUZXXKGPJWBKNK-OAQYLSRUSA-N 0 0 455.555 4.947 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)c1cnc(OC3CCOCC3)c(Cl)c1)C2 ZINC001461776058 1067935262 /nfs/dbraw/zinc/93/52/62/1067935262.db2.gz LNCJYHJLQNYNDN-UHFFFAOYSA-N 0 0 451.748 4.520 20 0 JJADRN COc1cc(CCNC(=O)c2noc3c2CCCCC3)cc(OC)c1OCc1ccccc1 ZINC001461778739 1067935688 /nfs/dbraw/zinc/93/56/88/1067935688.db2.gz PZYYMADYVCFOHX-UHFFFAOYSA-N 0 0 450.535 4.512 20 0 JJADRN O=C(NCCc1ccc(I)cc1)c1cc(F)c(C(F)(F)F)cc1F ZINC001461790040 1067937544 /nfs/dbraw/zinc/93/75/44/1067937544.db2.gz RJRBBYDGAQQTFD-UHFFFAOYSA-N 0 0 455.164 4.561 20 0 JJADRN Cn1c(C(F)(F)F)nc2cncc(C(=O)NCC/C=C\c3ccc(Br)cc3)c21 ZINC001461793447 1067938196 /nfs/dbraw/zinc/93/81/96/1067938196.db2.gz CUGPFOVQOUCWSL-RQOWECAXSA-N 0 0 453.262 4.583 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC001461795564 1067938216 /nfs/dbraw/zinc/93/82/16/1067938216.db2.gz BVEOKCJGTHELKE-OAQYLSRUSA-N 0 0 453.468 4.832 20 0 JJADRN CCOc1cc(C(=O)N[C@@H]2CCCc3c(C)cccc32)ccc1OCC(=O)N1CCCCC1 ZINC001461794328 1067938237 /nfs/dbraw/zinc/93/82/37/1067938237.db2.gz GOXDNNCOABOWBI-HSZRJFAPSA-N 0 0 450.579 4.592 20 0 JJADRN Cc1cccc2c1CCC[C@H]2NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001461794585 1067938300 /nfs/dbraw/zinc/93/83/00/1067938300.db2.gz IJHYKKZJFCICKF-XMMPIXPASA-N 0 0 454.636 4.840 20 0 JJADRN C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc(I)c(Br)c1 ZINC001461798813 1067938598 /nfs/dbraw/zinc/93/85/98/1067938598.db2.gz MTXRMIIIGHMEBP-LLVKDONJSA-N 0 0 456.121 4.700 20 0 JJADRN Clc1cc(Oc2ccc(Br)cc2Br)ccc1CNn1cnnc1 ZINC001461799074 1067939057 /nfs/dbraw/zinc/93/90/57/1067939057.db2.gz ROHZDQKMEFAMTK-UHFFFAOYSA-N 0 0 458.541 4.993 20 0 JJADRN O=C(CSc1ccccc1C(=O)NCCC1SCCS1)NC1CCCCCCC1 ZINC001461802998 1067939367 /nfs/dbraw/zinc/93/93/67/1067939367.db2.gz CSGFWBUUETXWCE-UHFFFAOYSA-N 0 0 452.711 4.934 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCC/C=C\c2ccc(Br)cc2)c1 ZINC001461801137 1067939377 /nfs/dbraw/zinc/93/93/77/1067939377.db2.gz VZLOLLKUPZDVKC-RQOWECAXSA-N 0 0 453.174 4.982 20 0 JJADRN O=C(N1CCc2cc(Br)c(Br)cc2C1)C1(c2cccc(F)c2)CC1 ZINC001461804005 1067939736 /nfs/dbraw/zinc/93/97/36/1067939736.db2.gz KDJSHBKBWRRTDT-UHFFFAOYSA-N 0 0 453.149 4.967 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)Nc3ccn(C(C)(C)C(=O)OC(C)(C)C)n3)cs2)cc1 ZINC001461803860 1067939747 /nfs/dbraw/zinc/93/97/47/1067939747.db2.gz JBTCFHYZBMNYQG-UHFFFAOYSA-N 0 0 456.568 4.734 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001461808542 1067940561 /nfs/dbraw/zinc/94/05/61/1067940561.db2.gz ZMONKQWLPFFADW-GKIWIXTESA-N 0 0 450.988 4.855 20 0 JJADRN OC[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccccc1I ZINC001461812275 1067940877 /nfs/dbraw/zinc/94/08/77/1067940877.db2.gz QMTMDMXMGZNJGP-JOCHJYFZSA-N 0 0 459.327 4.693 20 0 JJADRN COc1ccc(OCc2nc(CN[C@@H](c3nccn3C)c3ccc(F)c(F)c3)cs2)cc1 ZINC001461814371 1067941302 /nfs/dbraw/zinc/94/13/02/1067941302.db2.gz OYCXMGZKRQGHHS-JOCHJYFZSA-N 0 0 456.518 4.622 20 0 JJADRN CCCc1nc(C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)nn1-c1ccccc1F ZINC001461817536 1067941767 /nfs/dbraw/zinc/94/17/67/1067941767.db2.gz WSKDBWZVHSJUEG-ZDUSSCGKSA-N 0 0 459.319 4.549 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@H](c2cccc(OC)n2)C(F)(F)F)CC1=O ZINC001461829024 1067942769 /nfs/dbraw/zinc/94/27/69/1067942769.db2.gz HTLUILOCFOUGQV-PDSXEYIOSA-N 0 0 450.457 4.803 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001461834025 1067943637 /nfs/dbraw/zinc/94/36/37/1067943637.db2.gz DBBPDOFHNWGMPG-MZNJEOGPSA-N 0 0 459.587 4.701 20 0 JJADRN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001461834750 1067944137 /nfs/dbraw/zinc/94/41/37/1067944137.db2.gz LCHZKFVNRNRAOK-LJQANCHMSA-N 0 0 458.521 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)Cc1ccc(Cl)cc1Br)C2 ZINC001461841852 1067945284 /nfs/dbraw/zinc/94/52/84/1067945284.db2.gz OGHWLFAOICSTLB-VBKZILBWSA-N 0 0 457.796 4.551 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)on1 ZINC001461843672 1067945396 /nfs/dbraw/zinc/94/53/96/1067945396.db2.gz PPJTXGXUOADJCY-MZNJEOGPSA-N 0 0 457.596 4.795 20 0 JJADRN Cc1c(C(=O)NC(C)(C)c2nc3ccccc3s2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001461845211 1067945807 /nfs/dbraw/zinc/94/58/07/1067945807.db2.gz VBOYMTUDPFCOFM-UHFFFAOYSA-N 0 0 459.497 4.928 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1cc3ccnc(Cl)c3s1)C2 ZINC001461849965 1067946532 /nfs/dbraw/zinc/94/65/32/1067946532.db2.gz BBSBYKVAEAQYSI-UHFFFAOYSA-N 0 0 457.758 4.716 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851561 1067947040 /nfs/dbraw/zinc/94/70/40/1067947040.db2.gz MJRXXOKHCSGPNZ-SFHVURJKSA-N 0 0 456.940 4.598 20 0 JJADRN CCN(Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001461851148 1067947162 /nfs/dbraw/zinc/94/71/62/1067947162.db2.gz FSKRAQHPKNNEHE-JOCHJYFZSA-N 0 0 453.384 4.571 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)OCc2ccc(O[C@@H]3CCOC3)cc2)c2ccccc2)cc1 ZINC001461862838 1067949732 /nfs/dbraw/zinc/94/97/32/1067949732.db2.gz BMJNTDWRCUGGRV-FTJBHMTQSA-N 0 0 459.542 4.767 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Nc3cnc(Br)c4ccccc34)n2)cc1 ZINC001461864941 1067950111 /nfs/dbraw/zinc/95/01/11/1067950111.db2.gz BAUWLJUEHOEPNR-UHFFFAOYSA-N 0 0 453.296 4.627 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461865117 1067950495 /nfs/dbraw/zinc/95/04/95/1067950495.db2.gz KGCPOGKNKITIAD-OAQYLSRUSA-N 0 0 459.974 4.635 20 0 JJADRN Cc1ccc(CC(=O)N2[C@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461870142 1067950845 /nfs/dbraw/zinc/95/08/45/1067950845.db2.gz SDRMLZJAGCMOLG-NUJGCVRESA-N 0 0 453.421 4.840 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@@H]1C ZINC001461871313 1067951186 /nfs/dbraw/zinc/95/11/86/1067951186.db2.gz VUKMLWUBHOFASC-UMVBOHGHSA-N 0 0 455.386 4.795 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)[C@@H]1C ZINC001461871154 1067951253 /nfs/dbraw/zinc/95/12/53/1067951253.db2.gz VLTAVDAZMUSADA-IIDMSEBBSA-N 0 0 457.537 4.925 20 0 JJADRN COc1ccc(NC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)c(C(F)(F)F)n1 ZINC001461871604 1067951734 /nfs/dbraw/zinc/95/17/34/1067951734.db2.gz VFULDWAMRACLDF-UHFFFAOYSA-N 0 0 456.424 4.768 20 0 JJADRN CN(Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001461872187 1067952188 /nfs/dbraw/zinc/95/21/88/1067952188.db2.gz NUOZILXXUQCQDV-OAQYLSRUSA-N 0 0 458.027 4.843 20 0 JJADRN CS(=O)(=O)CCN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C1CC1 ZINC001461876813 1067952473 /nfs/dbraw/zinc/95/24/73/1067952473.db2.gz ZBVTVMAXIUOHOE-UHFFFAOYSA-N 0 0 458.805 4.904 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sc(N3CCCC3)nc2Cl)[C@H]1C ZINC001461879768 1067953220 /nfs/dbraw/zinc/95/32/20/1067953220.db2.gz YQCSWYYGGGYUTD-ILXRZTDVSA-N 0 0 457.040 4.551 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2[C@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001461879155 1067953244 /nfs/dbraw/zinc/95/32/44/1067953244.db2.gz VHXZVBGXBGXSAK-KNKQGSTJSA-N 0 0 459.631 4.713 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)O[C@H](C)c1cc(OC)cc(OC)c1 ZINC001461883779 1067954065 /nfs/dbraw/zinc/95/40/65/1067954065.db2.gz MGOACUICSJQQTN-NVXWUHKLSA-N 0 0 451.357 4.966 20 0 JJADRN COc1cc(OC)cc([C@H](C)OC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC001461887277 1067954948 /nfs/dbraw/zinc/95/49/48/1067954948.db2.gz WRFYVJSONFIWSM-SFHVURJKSA-N 0 0 454.544 4.904 20 0 JJADRN C/C(=C\c1ccccc1C(F)(F)F)CN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC001461894161 1067956327 /nfs/dbraw/zinc/95/63/27/1067956327.db2.gz CNHLETHCEITIGT-NTCAYCPXSA-N 0 0 458.571 4.794 20 0 JJADRN COC(=O)c1ccc(-c2ccc(CN3CCCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC001461900083 1067957497 /nfs/dbraw/zinc/95/74/97/1067957497.db2.gz QTYBHUMSNFSLSK-UHFFFAOYSA-N 0 0 452.938 4.735 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c(C)s1 ZINC001461903157 1067958546 /nfs/dbraw/zinc/95/85/46/1067958546.db2.gz SMFDTBFQPVUNGT-UHFFFAOYSA-N 0 0 451.264 4.720 20 0 JJADRN CCNC(=O)c1cc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)c(C)s1 ZINC001461904681 1067958717 /nfs/dbraw/zinc/95/87/17/1067958717.db2.gz YZVJWKFLBMIDKC-UHFFFAOYSA-N 0 0 451.976 4.988 20 0 JJADRN Cc1nn(CC(=O)NCC2([C@@H]3CCCCO3)CCC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001461906143 1067958915 /nfs/dbraw/zinc/95/89/15/1067958915.db2.gz VWWWQFLQZPLLGZ-SFHVURJKSA-N 0 0 452.521 4.738 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC001461911385 1067959754 /nfs/dbraw/zinc/95/97/54/1067959754.db2.gz ZCNVVRMDPWGNFM-UHFFFAOYSA-N 0 0 450.579 4.558 20 0 JJADRN C[C@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001461914620 1067960005 /nfs/dbraw/zinc/96/00/05/1067960005.db2.gz INKDHCOLSYBGEC-LBPRGKRZSA-N 0 0 454.280 4.974 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nc2ccccc2n1-c1ccn(C)n1 ZINC001461911547 1067960222 /nfs/dbraw/zinc/96/02/22/1067960222.db2.gz ZMWAGHQSUZXFBR-CYBMUJFWSA-N 0 0 456.369 4.641 20 0 JJADRN Cn1nc(-c2cccnc2)cc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001461917437 1067960758 /nfs/dbraw/zinc/96/07/58/1067960758.db2.gz DCUPIVBJWLDNGH-UHFFFAOYSA-N 0 0 453.424 4.618 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001461916629 1067960811 /nfs/dbraw/zinc/96/08/11/1067960811.db2.gz HFIRTVHDJNCZNT-VIFPVBQESA-N 0 0 454.111 4.697 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(Oc4cc(F)cc(F)c4)nc3)CCC2=O)c1 ZINC001461919484 1067960990 /nfs/dbraw/zinc/96/09/90/1067960990.db2.gz JLWARLYUAUGENK-UHFFFAOYSA-N 0 0 450.445 4.890 20 0 JJADRN O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC001461919107 1067961002 /nfs/dbraw/zinc/96/10/02/1067961002.db2.gz LOFKAHRRRQOPTQ-UHFFFAOYSA-N 0 0 455.436 4.950 20 0 JJADRN COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(Br)c(C)cc1Br ZINC001461920715 1067961444 /nfs/dbraw/zinc/96/14/44/1067961444.db2.gz RWMVSXRXPOKUPT-SFHVURJKSA-N 0 0 453.174 4.792 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 ZINC001461923761 1067961805 /nfs/dbraw/zinc/96/18/05/1067961805.db2.gz YKSNYZACRICTHL-UHFFFAOYSA-N 0 0 453.445 4.835 20 0 JJADRN COc1ccc(-c2ccncc2)cc1CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001461925964 1067962362 /nfs/dbraw/zinc/96/23/62/1067962362.db2.gz FSHPEISBILTORJ-UHFFFAOYSA-N 0 0 455.480 4.734 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(Cc3cnn(Cc4ccccc4)c3Cl)CC2)cc1F ZINC001461928602 1067962690 /nfs/dbraw/zinc/96/26/90/1067962690.db2.gz REBRDPZYRNXGAT-UHFFFAOYSA-N 0 0 454.977 4.561 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN(C)CC(=O)Nc2ccc(C)cc2)cc1Br ZINC001461931715 1067963282 /nfs/dbraw/zinc/96/32/82/1067963282.db2.gz GWGJWDLIZCJKEC-HNNXBMFYSA-N 0 0 453.352 4.649 20 0 JJADRN O=C(Cc1ccccc1N1CCCC1=O)Oc1cccc(OC(F)(F)F)c1Br ZINC001461932379 1067963293 /nfs/dbraw/zinc/96/32/93/1067963293.db2.gz DQDMQVKCVURIMT-UHFFFAOYSA-N 0 0 458.230 4.623 20 0 JJADRN COc1ccc(C(=O)N2CCN(Cc3cccc(-c4ccc(Cl)cc4)c3)CC2)c(OC)c1 ZINC001461934120 1067964163 /nfs/dbraw/zinc/96/41/63/1067964163.db2.gz IXXAFWJQUIQJGW-UHFFFAOYSA-N 0 0 450.966 4.982 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001461937983 1067964431 /nfs/dbraw/zinc/96/44/31/1067964431.db2.gz RVKIDZOSFYFWNN-UHFFFAOYSA-N 0 0 450.604 4.988 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOC[C@@H]4C)c(Cl)c3)CCC2=O)cc1C ZINC001461941191 1067965164 /nfs/dbraw/zinc/96/51/64/1067965164.db2.gz PBSAKZXYAIJKRM-OALUTQOASA-N 0 0 455.986 4.564 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001461940155 1067965214 /nfs/dbraw/zinc/96/52/14/1067965214.db2.gz AUDDKVDEMBZKPD-ICSRJNTNSA-N 0 0 458.990 4.834 20 0 JJADRN COc1ccc2cc(C(=O)Nc3cc(F)c(Cl)cc3I)cnc2c1 ZINC001461943199 1067965512 /nfs/dbraw/zinc/96/55/12/1067965512.db2.gz BLQGTKYOQICHRS-UHFFFAOYSA-N 0 0 456.642 4.893 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[C@]2(C)Cc2ccc(C)cc2)cc1 ZINC001461945315 1067965966 /nfs/dbraw/zinc/96/59/66/1067965966.db2.gz MZAJHEPZKKHNKK-AREMUKBSSA-N 0 0 456.652 4.582 20 0 JJADRN O=C(Nc1cc(F)c(Cl)cc1I)c1cnc(-c2cccnc2)s1 ZINC001461943349 1067966028 /nfs/dbraw/zinc/96/60/28/1067966028.db2.gz BXPGBAHYCHXZAZ-UHFFFAOYSA-N 0 0 459.671 4.855 20 0 JJADRN COc1cccc(COc2ccc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 ZINC001461953434 1067967814 /nfs/dbraw/zinc/96/78/14/1067967814.db2.gz FIFSFLJOLCXUKC-UHFFFAOYSA-N 0 0 450.966 4.886 20 0 JJADRN CN1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2ccc(Cl)cc21 ZINC001461952938 1067967826 /nfs/dbraw/zinc/96/78/26/1067967826.db2.gz OEYAGJJFPLWIAH-UHFFFAOYSA-N 0 0 451.777 4.505 20 0 JJADRN COc1sc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958796 1067969288 /nfs/dbraw/zinc/96/92/88/1067969288.db2.gz LMPCLLQCDUPFBD-ZDUSSCGKSA-N 0 0 456.381 4.692 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1Br ZINC001461964767 1067970424 /nfs/dbraw/zinc/97/04/24/1067970424.db2.gz PKJRQUQFGFOWGC-LHSJRXKWSA-N 0 0 456.327 4.982 20 0 JJADRN CCc1nc([C@H]2CCCCN2Cc2cc(Br)c([C@@H](C)OCOC)cc2F)no1 ZINC001461967205 1067970946 /nfs/dbraw/zinc/97/09/46/1067970946.db2.gz AWNRJTBZRZKLNK-FZKQIMNGSA-N 0 0 456.356 4.942 20 0 JJADRN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC001461965656 1067971005 /nfs/dbraw/zinc/97/10/05/1067971005.db2.gz UJWQNVJJYCGAOZ-QGZVFWFLSA-N 0 0 457.571 4.510 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2CCCc3ccc(Cl)cc32)ccc1OC ZINC001461968897 1067971532 /nfs/dbraw/zinc/97/15/32/1067971532.db2.gz KJJJTJODTDXKLT-LJQANCHMSA-N 0 0 451.972 4.614 20 0 JJADRN CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001461975416 1067972949 /nfs/dbraw/zinc/97/29/49/1067972949.db2.gz KMSMNDDYDNWXRR-UHFFFAOYSA-N 0 0 452.894 4.614 20 0 JJADRN Cc1ccc(SCCC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)cc1C ZINC001461974234 1067973022 /nfs/dbraw/zinc/97/30/22/1067973022.db2.gz DHNMJAXNFOWZRZ-UHFFFAOYSA-N 0 0 454.411 4.517 20 0 JJADRN COc1ccc(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)c(I)c1 ZINC001461974673 1067973028 /nfs/dbraw/zinc/97/30/28/1067973028.db2.gz LFTCZFUIBADMAI-QGZVFWFLSA-N 0 0 459.274 4.638 20 0 JJADRN COc1ccc(CN2CCN(Cc3ccc(-c4cccc(Br)c4)s3)CC2)nc1 ZINC001461975603 1067973043 /nfs/dbraw/zinc/97/30/43/1067973043.db2.gz IHEVVFNKFCHBHD-UHFFFAOYSA-N 0 0 458.425 4.899 20 0 JJADRN COC(=O)[C@H]1CN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)Cc2ccccc21 ZINC001461977041 1067973416 /nfs/dbraw/zinc/97/34/16/1067973416.db2.gz GQYDJIQGMKJDQT-INIZCTEOSA-N 0 0 456.514 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3cccc4c3CCCCC4)CC2)C1 ZINC001461978259 1067973517 /nfs/dbraw/zinc/97/35/17/1067973517.db2.gz APSBPIPUJMDGGY-JOCHJYFZSA-N 0 0 456.627 4.834 20 0 JJADRN C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461985637 1067975416 /nfs/dbraw/zinc/97/54/16/1067975416.db2.gz FHRJRKOJVFBXQY-BETUJISGSA-N 0 0 455.422 4.730 20 0 JJADRN COC(=O)c1ccc(CN2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987692 1067975961 /nfs/dbraw/zinc/97/59/61/1067975961.db2.gz QWYMSFJUMQMHLM-IBGZPJMESA-N 0 0 456.340 4.547 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001461989312 1067976520 /nfs/dbraw/zinc/97/65/20/1067976520.db2.gz BBZCZRRWGNTYQG-DEOSSOPVSA-N 0 0 458.602 4.941 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)c2ccccc21 ZINC001461993040 1067976678 /nfs/dbraw/zinc/97/66/78/1067976678.db2.gz UQBZBUOINQVGRM-MRXNPFEDSA-N 0 0 459.359 4.765 20 0 JJADRN CCOC(=O)CN(Cc1cnc([C@@H]2CCCO2)s1)[C@H](C)c1cccc(Br)c1 ZINC001462003253 1067978103 /nfs/dbraw/zinc/97/81/03/1067978103.db2.gz UPTCEVGVLVESJI-KDOFPFPSSA-N 0 0 453.402 4.883 20 0 JJADRN COCCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC001462006721 1067979002 /nfs/dbraw/zinc/97/90/02/1067979002.db2.gz BGSBZUICUXHULR-UHFFFAOYSA-N 0 0 450.288 4.767 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001462011005 1067980051 /nfs/dbraw/zinc/98/00/51/1067980051.db2.gz HPZKLIDJJMDGEN-UHFFFAOYSA-N 0 0 455.274 4.880 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(C3CCOCC3)c2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001462012574 1067980430 /nfs/dbraw/zinc/98/04/30/1067980430.db2.gz PLMNQNVKPCKZRZ-UHFFFAOYSA-N 0 0 450.579 4.841 20 0 JJADRN Cc1c(Br)cc(CN2CCN(c3ccc(Cl)cn3)CC2)cc1Br ZINC001462012116 1067980484 /nfs/dbraw/zinc/98/04/84/1067980484.db2.gz DMHBSMCMRALKFJ-UHFFFAOYSA-N 0 0 459.613 4.891 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN1CCN(C(=O)CCC2CCCC2)CC1 ZINC001462013914 1067980876 /nfs/dbraw/zinc/98/08/76/1067980876.db2.gz OARUUOSMRGWVRO-UHFFFAOYSA-N 0 0 459.432 4.558 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001462015123 1067981285 /nfs/dbraw/zinc/98/12/85/1067981285.db2.gz SLKOGVJHDTYBCL-APWZRJJASA-N 0 0 452.364 4.713 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 ZINC001462015932 1067981487 /nfs/dbraw/zinc/98/14/87/1067981487.db2.gz HGTQRRBXHCQMFS-NRFANRHFSA-N 0 0 458.986 4.662 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c1 ZINC001462016715 1067981824 /nfs/dbraw/zinc/98/18/24/1067981824.db2.gz CICMFEIXZDJPNH-OAQYLSRUSA-N 0 0 459.999 4.658 20 0 JJADRN C[C@]1(c2ccccc2)CC[C@H](N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC001462017089 1067981834 /nfs/dbraw/zinc/98/18/34/1067981834.db2.gz GCVCOVQEGQNVCC-AVRDEDQJSA-N 0 0 453.435 4.810 20 0 JJADRN CCCOc1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC001462017177 1067981938 /nfs/dbraw/zinc/98/19/38/1067981938.db2.gz GLZAUFCOMMBABA-UHFFFAOYSA-N 0 0 457.423 4.597 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(Cc2cccc3ncccc23)CC1 ZINC001462016993 1067981953 /nfs/dbraw/zinc/98/19/53/1067981953.db2.gz DZGWXAZOMFWNPL-UHFFFAOYSA-N 0 0 451.636 4.656 20 0 JJADRN COC(=O)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Br ZINC001462018173 1067982279 /nfs/dbraw/zinc/98/22/79/1067982279.db2.gz XRBDDAPHWDFDLO-UHFFFAOYSA-N 0 0 457.290 4.577 20 0 JJADRN CCCOc1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC001462018624 1067982364 /nfs/dbraw/zinc/98/23/64/1067982364.db2.gz MDFDVWBPGDXNAM-UHFFFAOYSA-N 0 0 457.423 4.597 20 0 JJADRN Cc1ccc(Br)c(F)c1CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001462018402 1067982467 /nfs/dbraw/zinc/98/24/67/1067982467.db2.gz NFJRGGMWPCIJGJ-UHFFFAOYSA-N 0 0 453.224 4.914 20 0 JJADRN Cc1cc(Cl)ccc1C1=CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001462023876 1067983233 /nfs/dbraw/zinc/98/32/33/1067983233.db2.gz ZUDRIFQJGMZINU-UHFFFAOYSA-N 0 0 459.011 4.753 20 0 JJADRN C/C(=C/c1ccccc1OC(F)F)CN1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC001462032972 1067985013 /nfs/dbraw/zinc/98/50/13/1067985013.db2.gz XAEVHMNGJMSCQT-CYVLTUHYSA-N 0 0 454.521 4.868 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)CC2=O)cc1 ZINC001462035646 1067985732 /nfs/dbraw/zinc/98/57/32/1067985732.db2.gz XGOZOMCJSFHBOQ-ICSRJNTNSA-N 0 0 457.977 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)Cc3cc4cc(Cl)ccc4[nH]3)cccc2C1 ZINC001462039141 1067986527 /nfs/dbraw/zinc/98/65/27/1067986527.db2.gz PAIHKRASMBYZEV-UHFFFAOYSA-N 0 0 453.970 4.973 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001462038915 1067986746 /nfs/dbraw/zinc/98/67/46/1067986746.db2.gz QRTQPVWXVZWLOB-NRFANRHFSA-N 0 0 452.505 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3cc(Br)cs3)cccc2C1 ZINC001462040572 1067987294 /nfs/dbraw/zinc/98/72/94/1067987294.db2.gz VFRGRLQSMPOWAR-UHFFFAOYSA-N 0 0 451.386 4.734 20 0 JJADRN CCCc1c(C(=O)N(C)c2nccc(-c3sc(C)nc3C)n2)cnn1-c1cccc(F)c1 ZINC001462041855 1067987835 /nfs/dbraw/zinc/98/78/35/1067987835.db2.gz VRJHTBQBLJCJDC-UHFFFAOYSA-N 0 0 450.543 4.771 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1Br ZINC001462044209 1067988332 /nfs/dbraw/zinc/98/83/32/1067988332.db2.gz MTRSKPCXOVQZOB-SFUIVIKGSA-N 0 0 451.405 4.972 20 0 JJADRN FC(F)(F)c1ccc(N2CCN(Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC2)cc1 ZINC001462044129 1067988443 /nfs/dbraw/zinc/98/84/43/1067988443.db2.gz SUSZLOBKHMRANM-UHFFFAOYSA-N 0 0 456.299 4.915 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cc1Br ZINC001462044207 1067988483 /nfs/dbraw/zinc/98/84/83/1067988483.db2.gz MTRSKPCXOVQZOB-QXGSTGNESA-N 0 0 451.405 4.972 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001462045788 1067988869 /nfs/dbraw/zinc/98/88/69/1067988869.db2.gz QMWYZZDJPQPGFH-ZXNZYJFHSA-N 0 0 453.583 4.875 20 0 JJADRN Cc1nc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001462045778 1067988881 /nfs/dbraw/zinc/98/88/81/1067988881.db2.gz QMWYZZDJPQPGFH-CZGNIMDHSA-N 0 0 453.583 4.875 20 0 JJADRN CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001462045975 1067988892 /nfs/dbraw/zinc/98/88/92/1067988892.db2.gz AOGXGKZKBSXHBF-OPNNQBFTSA-N 0 0 456.587 4.815 20 0 JJADRN CCOc1cc(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)ccc1OC(=O)CC ZINC001462046921 1067988946 /nfs/dbraw/zinc/98/89/46/1067988946.db2.gz OOKMPZSUKBHCQS-GOSISDBHSA-N 0 0 453.608 4.889 20 0 JJADRN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)CC1 ZINC001462050171 1067990644 /nfs/dbraw/zinc/99/06/44/1067990644.db2.gz LODDLQLBTLQKMT-XMMPIXPASA-N 0 0 454.611 4.611 20 0 JJADRN COc1ccc(C)cc1CN1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC001462050499 1067990708 /nfs/dbraw/zinc/99/07/08/1067990708.db2.gz YFTNZDZLAPUNRV-UHFFFAOYSA-N 0 0 455.343 4.685 20 0 JJADRN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001462053169 1067991324 /nfs/dbraw/zinc/99/13/24/1067991324.db2.gz UHJHWWVZKFWDNP-HXUWFJFHSA-N 0 0 452.368 4.690 20 0 JJADRN CCCSc1cccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)n1 ZINC001462058374 1067993286 /nfs/dbraw/zinc/99/32/86/1067993286.db2.gz JWWDXHXYJHLBSO-UHFFFAOYSA-N 0 0 457.415 4.539 20 0 JJADRN CCO[C@@H]1C[C@@H](NCc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@]12CCCO2 ZINC001462061524 1067994003 /nfs/dbraw/zinc/99/40/03/1067994003.db2.gz GWPAUJBVONKLKA-DBXWQHBBSA-N 0 0 459.375 4.534 20 0 JJADRN O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccn(-c2c(F)cccc2F)n1 ZINC001462061746 1067994060 /nfs/dbraw/zinc/99/40/60/1067994060.db2.gz DPUPKLAMUAFYAT-UHFFFAOYSA-N 0 0 451.380 4.940 20 0 JJADRN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462065878 1067994591 /nfs/dbraw/zinc/99/45/91/1067994591.db2.gz QFZXCPZXAZYUPU-SJLPKXTDSA-N 0 0 459.359 4.736 20 0 JJADRN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462065871 1067994610 /nfs/dbraw/zinc/99/46/10/1067994610.db2.gz QFZXCPZXAZYUPU-AEFFLSMTSA-N 0 0 459.359 4.736 20 0 JJADRN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCc2cc(Br)cc(C)c2C1 ZINC001462067853 1067995682 /nfs/dbraw/zinc/99/56/82/1067995682.db2.gz HWGALKZJHPRWRE-UHFFFAOYSA-N 0 0 454.368 4.678 20 0 JJADRN COCCOCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC001462069053 1067995757 /nfs/dbraw/zinc/99/57/57/1067995757.db2.gz RWLLPDDGDCMHRT-UHFFFAOYSA-N 0 0 457.530 4.963 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2F)n1 ZINC001462068673 1067995793 /nfs/dbraw/zinc/99/57/93/1067995793.db2.gz PYIOBNIOYJZVPA-DLBZAZTESA-N 0 0 472.314 4.693 20 0 JJADRN CCOC(=O)COc1cccc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)c1 ZINC001462069678 1067996269 /nfs/dbraw/zinc/99/62/69/1067996269.db2.gz FYZYWSTYHUMMPO-GOTSBHOMSA-N 0 0 454.567 4.834 20 0 JJADRN CC(=O)Nc1cc(Br)ccc1CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001462071845 1067996332 /nfs/dbraw/zinc/99/63/32/1067996332.db2.gz ZWJGAIGWEDABGV-QGZVFWFLSA-N 0 0 456.384 4.524 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC(C)(C)[C@H]2C)CCOCC1 ZINC001546129295 1067997516 /nfs/dbraw/zinc/99/75/16/1067997516.db2.gz AKQBNGNAPNAGHT-QGZVFWFLSA-N 0 0 464.557 4.757 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001462078023 1067997597 /nfs/dbraw/zinc/99/75/97/1067997597.db2.gz AGECXKKKRLPRBD-KRWDZBQOSA-N 0 0 454.402 4.796 20 0 JJADRN COC(=O)c1ccc(C)c2c1N(C(=O)c1cc(-c3cccc(Br)c3)no1)CCC2 ZINC001462088094 1067999382 /nfs/dbraw/zinc/99/93/82/1067999382.db2.gz ZVNYEGNGAZGWLP-UHFFFAOYSA-N 0 0 455.308 4.792 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)s1 ZINC001462086698 1067999563 /nfs/dbraw/zinc/99/95/63/1067999563.db2.gz KNBKWGUTOHULFW-UHFFFAOYSA-N 0 0 450.442 4.654 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc(-c2ccccn2)ccc1Cl ZINC001462090813 1068000103 /nfs/dbraw/zinc/00/01/03/1068000103.db2.gz BOQHSUUDVKJPBQ-FQEVSTJZSA-N 0 0 459.855 4.956 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc2c1 ZINC001462091211 1068000332 /nfs/dbraw/zinc/00/03/32/1068000332.db2.gz DEPCMUKJNBTYPY-XSDAWFBZSA-N 0 0 454.448 4.802 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1-c1ccccc1 ZINC001462091157 1068000346 /nfs/dbraw/zinc/00/03/46/1068000346.db2.gz DDQYDFQJARYMNT-NRFANRHFSA-N 0 0 454.448 4.916 20 0 JJADRN CN(C)c1ccc([S@@](C)(=O)=NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001462093137 1068000454 /nfs/dbraw/zinc/00/04/54/1068000454.db2.gz FKKACQWWBGNUNL-GFJKYASSSA-N 0 0 457.596 4.618 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546129382 1068001840 /nfs/dbraw/zinc/00/18/40/1068001840.db2.gz DUAXELMDTUSEJJ-LJQANCHMSA-N 0 0 483.657 4.531 20 0 JJADRN COCC1(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462099417 1068002023 /nfs/dbraw/zinc/00/20/23/1068002023.db2.gz SDRWBAFHNOZWOR-AREMUKBSSA-N 0 0 456.627 4.736 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](COC)C2)CCCC1 ZINC001546129417 1068002138 /nfs/dbraw/zinc/00/21/38/1068002138.db2.gz GBNHVRCABOYLKZ-QGZVFWFLSA-N 0 0 464.452 4.879 20 0 JJADRN Cc1ccc(C(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)cc1NC(=O)c1ccccc1F ZINC001462101783 1068002432 /nfs/dbraw/zinc/00/24/32/1068002432.db2.gz SAKHVHHRTYXIDX-JGCGQSQUSA-N 0 0 453.539 4.750 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3(C)C)cc2CN1C(=O)OC(C)(C)C ZINC001462100685 1068002534 /nfs/dbraw/zinc/00/25/34/1068002534.db2.gz ZYRCNMDGKLQEMV-OXQOHEQNSA-N 0 0 456.562 4.570 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3C[C@H](c4ccc(Br)cc4)C[C@@H]3C)CCC2=O)c1 ZINC001462102169 1068002725 /nfs/dbraw/zinc/00/27/25/1068002725.db2.gz FHSAIIZOGMGZDD-FUHWJXTLSA-N 0 0 454.368 4.645 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N3C[C@H](c4ccc(Br)cc4)C[C@H]3C)CCC2=O)c1 ZINC001462102178 1068002887 /nfs/dbraw/zinc/00/28/87/1068002887.db2.gz FHSAIIZOGMGZDD-SJLPKXTDSA-N 0 0 454.368 4.645 20 0 JJADRN CN(Cc1cnc([C@H]2CCCO2)s1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462104504 1068003718 /nfs/dbraw/zinc/00/37/18/1068003718.db2.gz NPGSSMAKVFXSCI-QGZVFWFLSA-N 0 0 455.418 4.539 20 0 JJADRN CC(C)Oc1cc(NC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)ccc1Br ZINC001462105010 1068003744 /nfs/dbraw/zinc/00/37/44/1068003744.db2.gz NPUCZGGRLGYVAO-UHFFFAOYSA-N 0 0 451.321 4.626 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)ccc1Br ZINC001462104989 1068003781 /nfs/dbraw/zinc/00/37/81/1068003781.db2.gz NHSJMGSBZGHBON-SZNDQCEHSA-N 0 0 453.377 4.964 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001546129439 1068003797 /nfs/dbraw/zinc/00/37/97/1068003797.db2.gz GSCTXWAQUDEMGS-OKILXGFUSA-N 0 0 456.379 4.964 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC001462104496 1068003857 /nfs/dbraw/zinc/00/38/57/1068003857.db2.gz OKXVBOSGCPFWLS-WSCWJOSJSA-N 0 0 455.396 4.848 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001462105457 1068004016 /nfs/dbraw/zinc/00/40/16/1068004016.db2.gz SRMFGIBIUXRDNB-OAHLLOKOSA-N 0 0 453.262 4.796 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001546129459 1068005413 /nfs/dbraw/zinc/00/54/13/1068005413.db2.gz HIJCDHGBUMIALF-SJORKVTESA-N 0 0 464.452 4.878 20 0 JJADRN CCCCCn1nc(C(=O)N(c2cccc(F)c2C)[C@H]2CCO[C@@H]2C)c2ccccc2c1=O ZINC001462110247 1068006352 /nfs/dbraw/zinc/00/63/52/1068006352.db2.gz QMYZQNMIWSZBKX-JPYJTQIMSA-N 0 0 451.542 4.858 20 0 JJADRN O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001462111422 1068006666 /nfs/dbraw/zinc/00/66/66/1068006666.db2.gz ZSENEQOXSSIJEO-UHFFFAOYSA-N 0 0 451.510 4.767 20 0 JJADRN COC(=O)[C@H](NCc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(OC)c(Cl)c1 ZINC001462118421 1068007881 /nfs/dbraw/zinc/00/78/81/1068007881.db2.gz PFVFMCUPORVXKR-GOSISDBHSA-N 0 0 455.711 4.735 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@H]2C)CCOCC1 ZINC001546129526 1068008820 /nfs/dbraw/zinc/00/88/20/1068008820.db2.gz JFYDDJXMCHEUFD-HUUCEWRRSA-N 0 0 468.465 4.573 20 0 JJADRN COC(=O)[C@@H](NC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC001462120743 1068008918 /nfs/dbraw/zinc/00/89/18/1068008918.db2.gz XWAIUFXCRZWJGQ-APWZRJJASA-N 0 0 457.011 4.872 20 0 JJADRN COC(=O)[C@H](NC[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC001462120745 1068009073 /nfs/dbraw/zinc/00/90/73/1068009073.db2.gz XWAIUFXCRZWJGQ-QFBILLFUSA-N 0 0 457.011 4.872 20 0 JJADRN COc1ccc2c(c1)nc(CNCc1cc(Br)c(C)cc1Br)n2C ZINC001462123707 1068010749 /nfs/dbraw/zinc/01/07/49/1068010749.db2.gz DGSICWSBPFXTPO-UHFFFAOYSA-N 0 0 453.178 4.705 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001462124187 1068010861 /nfs/dbraw/zinc/01/08/61/1068010861.db2.gz CPWDWXOFRPVULP-AZUAARDMSA-N 0 0 458.990 4.834 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@H]3C)CC2=O)ccc1F ZINC001462129306 1068011766 /nfs/dbraw/zinc/01/17/66/1068011766.db2.gz XRDBNXDYXKYVHY-BPQIPLTHSA-N 0 0 459.359 4.654 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CN2CCN([C@@H](C)c3ccsc3)CC2)cc1 ZINC001462129817 1068012178 /nfs/dbraw/zinc/01/21/78/1068012178.db2.gz OVKIKRCTSRXCPA-FQEVSTJZSA-N 0 0 450.604 4.993 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)nn1 ZINC001462132897 1068012480 /nfs/dbraw/zinc/01/24/80/1068012480.db2.gz KCILRTLMKCRCLD-GOSISDBHSA-N 0 0 451.340 4.966 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001546129643 1068013849 /nfs/dbraw/zinc/01/38/49/1068013849.db2.gz NEXKESCGYADAJV-KRWDZBQOSA-N 0 0 451.384 4.898 20 0 JJADRN CC1(C)[C@H]2[C@H](CCCN2C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)[C@@H]1O ZINC001462137863 1068013934 /nfs/dbraw/zinc/01/39/34/1068013934.db2.gz UJTDBCANHRYGDB-ZTCOLXNVSA-N 0 0 458.668 4.629 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nc(C3CCCCCC3)cs2)c(OC)c1 ZINC001462146740 1068015331 /nfs/dbraw/zinc/01/53/31/1068015331.db2.gz RNLXQYLFJNXWAV-FQEVSTJZSA-N 0 0 457.596 4.841 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC001462147886 1068015420 /nfs/dbraw/zinc/01/54/20/1068015420.db2.gz QOZHTUIQRDDAHP-KNHNZMBKSA-N 0 0 457.621 4.614 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)Nc3nc([C@@H]4CCC[C@H](C(F)(F)F)C4)cs3)cnc12 ZINC001462148072 1068015762 /nfs/dbraw/zinc/01/57/62/1068015762.db2.gz RNHFYXCFJZWJDU-KGLIPLIRSA-N 0 0 450.486 4.636 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001462150529 1068016251 /nfs/dbraw/zinc/01/62/51/1068016251.db2.gz ZCPDLSUFKJROJJ-AOIWGVFYSA-N 0 0 453.530 4.819 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001462150531 1068016293 /nfs/dbraw/zinc/01/62/93/1068016293.db2.gz ZCPDLSUFKJROJJ-ZHALLVOQSA-N 0 0 453.530 4.819 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151707 1068016394 /nfs/dbraw/zinc/01/63/94/1068016394.db2.gz RFKDLNMNEWFZHO-IBGZPJMESA-N 0 0 458.628 4.955 20 0 JJADRN Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c1 ZINC001462152510 1068016975 /nfs/dbraw/zinc/01/69/75/1068016975.db2.gz FALLUNURICVVHI-UHFFFAOYSA-N 0 0 450.532 4.916 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC001462152355 1068017173 /nfs/dbraw/zinc/01/71/73/1068017173.db2.gz UMLIPYFJGCBBHM-HNNXBMFYSA-N 0 0 454.402 4.701 20 0 JJADRN CNC(=O)COc1ccc(C(=O)N(c2ccc(Cl)c(Cl)c2)C2CCCC2)cc1OC ZINC001462157475 1068018462 /nfs/dbraw/zinc/01/84/62/1068018462.db2.gz STSHGTJAYSKPQI-UHFFFAOYSA-N 0 0 451.350 4.716 20 0 JJADRN O=C(NC[C@H](n1cncn1)C(F)(F)F)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001462158295 1068018756 /nfs/dbraw/zinc/01/87/56/1068018756.db2.gz PKCWWAAEFXUCFF-DLBZAZTESA-N 0 0 459.255 4.625 20 0 JJADRN CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001546129743 1068019011 /nfs/dbraw/zinc/01/90/11/1068019011.db2.gz QUQDEKJKGXNGBH-UHFFFAOYSA-N 0 0 459.919 4.811 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCOC(C)(C)C2)CCOCC1 ZINC001546129750 1068019049 /nfs/dbraw/zinc/01/90/49/1068019049.db2.gz RGEWOEGPOOAQMG-UHFFFAOYSA-N 0 0 481.410 4.669 20 0 JJADRN CN(C(=O)COc1ccccc1OCC(F)(F)F)c1nc2cc(Br)ccc2o1 ZINC001462164228 1068019706 /nfs/dbraw/zinc/01/97/06/1068019706.db2.gz ODWLYTSTSNKFHI-UHFFFAOYSA-N 0 0 459.218 4.573 20 0 JJADRN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 ZINC001462163326 1068019753 /nfs/dbraw/zinc/01/97/53/1068019753.db2.gz XFHOLXUISNFWEM-FXAWDEMLSA-N 0 0 453.970 4.797 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cnnn1-c1c(Cl)cccc1Cl ZINC001462166796 1068020470 /nfs/dbraw/zinc/02/04/70/1068020470.db2.gz OHCFJWZSUDVVTB-QAPCUYQASA-N 0 0 455.704 4.627 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001462166421 1068020549 /nfs/dbraw/zinc/02/05/49/1068020549.db2.gz MHGJKCZAWVFZEK-RDGATRHJSA-N 0 0 470.997 4.608 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(C)OC[C@@H]2C)CCC1 ZINC001546129802 1068021151 /nfs/dbraw/zinc/02/11/51/1068021151.db2.gz UWAMFUFDKIIPSB-HNNXBMFYSA-N 0 0 450.425 4.630 20 0 JJADRN Cc1ccc(CN(Cc2cn(-c3ccc(F)cc3)nn2)C[C@H]2CCCO2)c(Br)c1 ZINC001462169912 1068021184 /nfs/dbraw/zinc/02/11/84/1068021184.db2.gz BVHJBDPUHKOLJX-OAQYLSRUSA-N 0 0 459.363 4.659 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)Cc1cc(-c2ccncc2)ccc1OC ZINC001462181977 1068023789 /nfs/dbraw/zinc/02/37/89/1068023789.db2.gz RITBWYUJSLWKLB-UHFFFAOYSA-N 0 0 455.352 4.695 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001462181781 1068023895 /nfs/dbraw/zinc/02/38/95/1068023895.db2.gz DFOCXCVMWJKPCD-URXFXBBRSA-N 0 0 458.599 4.664 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001462188934 1068025138 /nfs/dbraw/zinc/02/51/38/1068025138.db2.gz DMZCVKOMWQQXPL-KRWDZBQOSA-N 0 0 457.290 4.581 20 0 JJADRN CCOc1ccc(N(CC2CC2)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001462191033 1068025651 /nfs/dbraw/zinc/02/56/51/1068025651.db2.gz KVZKWNSKSOSBEA-QGZVFWFLSA-N 0 0 457.368 4.644 20 0 JJADRN COc1ccc2cc(C(=O)N3CCOc4ccc(CNC(=O)OC(C)(C)C)cc43)sc2c1 ZINC001462193459 1068026256 /nfs/dbraw/zinc/02/62/56/1068026256.db2.gz FGNYVMTYJODEIJ-UHFFFAOYSA-N 0 0 454.548 4.974 20 0 JJADRN CCOC(=O)c1csc(NC(=O)CCc2ccccc2OC(F)(F)F)c1C(=O)OCC ZINC001462196408 1068026967 /nfs/dbraw/zinc/02/69/67/1068026967.db2.gz NNTDVFWBSUGPTM-UHFFFAOYSA-N 0 0 459.442 4.571 20 0 JJADRN COc1cccc2c1OCC[C@@H]2OC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001462198775 1068027450 /nfs/dbraw/zinc/02/74/50/1068027450.db2.gz MZWNFHLHVXUDDA-MSOLQXFVSA-N 0 0 450.318 4.674 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2cc(F)c(Br)cc2F)cc1 ZINC001462200316 1068027790 /nfs/dbraw/zinc/02/77/90/1068027790.db2.gz FBFKKLIBECDXTI-LBPRGKRZSA-N 0 0 458.324 4.839 20 0 JJADRN CCOC(=O)c1csc(NC(=O)c2c(Cl)cccc2OCC2CC2)c1C(=O)OCC ZINC001462204399 1068028517 /nfs/dbraw/zinc/02/85/17/1068028517.db2.gz MPWKKQGEJCMQPK-UHFFFAOYSA-N 0 0 451.928 4.796 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2[nH]nc3cnc(Br)cc32)c1 ZINC001462201689 1068028570 /nfs/dbraw/zinc/02/85/70/1068028570.db2.gz SUBIQRWXESDECT-UHFFFAOYSA-N 0 0 450.296 4.533 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N(CCN1CCOCC1)c1ccccc1F ZINC001462204738 1068028984 /nfs/dbraw/zinc/02/89/84/1068028984.db2.gz SFIONOZEMRYXBJ-SDXDJHTJSA-N 0 0 456.867 4.790 20 0 JJADRN O=C(NCc1ccc(OC(F)F)cc1F)c1cc(Br)ccc1Br ZINC001462208821 1068029460 /nfs/dbraw/zinc/02/94/60/1068029460.db2.gz RSAQAJFCNXJTPD-UHFFFAOYSA-N 0 0 453.052 4.882 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)OCc2ccc(Br)c(F)c2F)[C@@H]1c1cccc(Cl)c1 ZINC001462211152 1068029781 /nfs/dbraw/zinc/02/97/81/1068029781.db2.gz RWEFBGBUVNRZJA-ACJLOTCBSA-N 0 0 458.686 4.644 20 0 JJADRN C[C@@H](C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC001462215355 1068030367 /nfs/dbraw/zinc/03/03/67/1068030367.db2.gz CURPKNOCOVNWSI-LIRRHRJNSA-N 0 0 457.489 4.801 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCCSc3cc(Cl)ccc32)CC1 ZINC001462212890 1068030419 /nfs/dbraw/zinc/03/04/19/1068030419.db2.gz JNLZOJNULRLGJM-UHFFFAOYSA-N 0 0 459.011 4.877 20 0 JJADRN O=C(NCCSCCC(F)(F)F)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001462216279 1068030625 /nfs/dbraw/zinc/03/06/25/1068030625.db2.gz GUCWRWWTZYYTGI-UHFFFAOYSA-N 0 0 452.424 4.579 20 0 JJADRN CN(C[C@H]1CCCN(Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC001462219622 1068031199 /nfs/dbraw/zinc/03/11/99/1068031199.db2.gz LYXUUPMSGWWEGV-MRXNPFEDSA-N 0 0 457.423 4.889 20 0 JJADRN Fc1ccc(I)c(F)c1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001462225376 1068032155 /nfs/dbraw/zinc/03/21/55/1068032155.db2.gz MDAJCGVLMLCVJU-IDHHARJASA-N 0 0 455.286 4.574 20 0 JJADRN Fc1cccc(CNc2ccc3nccnc3c2Br)c1I ZINC001462224878 1068032643 /nfs/dbraw/zinc/03/26/43/1068032643.db2.gz JQMXAKBAMBGSLP-UHFFFAOYSA-N 0 0 458.072 4.748 20 0 JJADRN Cc1cccc(CN2CCO[C@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234349 1068034673 /nfs/dbraw/zinc/03/46/73/1068034673.db2.gz NJALBFLGXSBLGJ-LJQANCHMSA-N 0 0 459.409 4.603 20 0 JJADRN COc1c(NCC2CCN(C(=O)OCc3ccccc3)CC2)cc(Cl)cc1C(=O)N(C)C ZINC001462241423 1068035606 /nfs/dbraw/zinc/03/56/06/1068035606.db2.gz UUJOGDCQSPDOND-UHFFFAOYSA-N 0 0 459.974 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCC12CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC001462241128 1068035738 /nfs/dbraw/zinc/03/57/38/1068035738.db2.gz GHLMFOWHKIAWOH-QZTJIDSGSA-N 0 0 456.505 4.594 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001462240591 1068035851 /nfs/dbraw/zinc/03/58/51/1068035851.db2.gz NWZJSCJQTJTMHN-OAQYLSRUSA-N 0 0 458.599 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NC[C@H]2CCC23CCOCC3)CC1 ZINC001462244290 1068037033 /nfs/dbraw/zinc/03/70/33/1068037033.db2.gz PCFKWUSDQRKLAB-JOCHJYFZSA-N 0 0 456.627 4.813 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC001462256137 1068039142 /nfs/dbraw/zinc/03/91/42/1068039142.db2.gz CQQRQJUJMFFFKN-NRFANRHFSA-N 0 0 453.583 4.505 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCc2cccc(Br)c21 ZINC001462259839 1068040122 /nfs/dbraw/zinc/04/01/22/1068040122.db2.gz IBOUXBNZIKAXGJ-UHFFFAOYSA-N 0 0 456.361 4.626 20 0 JJADRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCN(c2cccc(F)n2)CC1 ZINC001462261044 1068040737 /nfs/dbraw/zinc/04/07/37/1068040737.db2.gz RGSUHXMMGXPDBL-UHFFFAOYSA-N 0 0 458.379 4.615 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC001462274097 1068042026 /nfs/dbraw/zinc/04/20/26/1068042026.db2.gz WHJBAXDQAOPDKR-FYYLOGMGSA-N 0 0 455.599 4.554 20 0 JJADRN COC(=O)[C@H](NCc1cc(Br)c(C)cc1Br)c1ccc(OC)cc1 ZINC001462272802 1068042140 /nfs/dbraw/zinc/04/21/40/1068042140.db2.gz LOMDWWSFOLJNIB-QGZVFWFLSA-N 0 0 457.162 4.533 20 0 JJADRN COC(=O)c1c(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)c2cccnc2n1C ZINC001462276392 1068042449 /nfs/dbraw/zinc/04/24/49/1068042449.db2.gz DSMRQJXNLQJUKB-UHFFFAOYSA-N 0 0 458.902 4.613 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001462291863 1068044820 /nfs/dbraw/zinc/04/48/20/1068044820.db2.gz GMMYXTAXVKNGQY-PGUXBMHVSA-N 0 0 456.324 4.942 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001462291875 1068045074 /nfs/dbraw/zinc/04/50/74/1068045074.db2.gz GMMYXTAXVKNGQY-RWSFTLGLSA-N 0 0 456.324 4.942 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001462296599 1068046516 /nfs/dbraw/zinc/04/65/16/1068046516.db2.gz SBQCVLRRXCPQSF-UHFFFAOYSA-N 0 0 456.376 4.647 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@@H]1CCO[C@@H]1C ZINC001462298501 1068046612 /nfs/dbraw/zinc/04/66/12/1068046612.db2.gz QCBUEKAYZXXLTI-QVKFZJNVSA-N 0 0 453.963 4.794 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N(c3ccc(Cl)cc3C)[C@H]3CCO[C@@H]3C)CC2=O)cc1 ZINC001462301229 1068046826 /nfs/dbraw/zinc/04/68/26/1068046826.db2.gz XDCVKYDDRLKJSS-YVHKJVDXSA-N 0 0 459.011 4.934 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N(c3ccc(Cl)cc3C)[C@@H]3CCO[C@H]3C)CC2=O)cc1 ZINC001462301202 1068047021 /nfs/dbraw/zinc/04/70/21/1068047021.db2.gz XDCVKYDDRLKJSS-GSHUGGBRSA-N 0 0 459.011 4.934 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N(c3ccc(Cl)cc3C)[C@@H]3CCO[C@@H]3C)CC2=O)cc1 ZINC001462301185 1068047045 /nfs/dbraw/zinc/04/70/45/1068047045.db2.gz XDCVKYDDRLKJSS-DRSNIGMVSA-N 0 0 459.011 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3nc(Cl)ccc3Br)CC2)C1 ZINC001462310197 1068048696 /nfs/dbraw/zinc/04/86/96/1068048696.db2.gz ANGWHSPXXYQWEN-OAHLLOKOSA-N 0 0 458.828 4.967 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462313395 1068049058 /nfs/dbraw/zinc/04/90/58/1068049058.db2.gz YMZKLUJRSQLCJP-RTBURBONSA-N 0 0 450.579 4.673 20 0 JJADRN C[C@@H]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001462314932 1068049644 /nfs/dbraw/zinc/04/96/44/1068049644.db2.gz PVFXWTCHSGZORQ-CABCVRRESA-N 0 0 454.402 4.557 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)NC(=O)C(C)(C)CO4)s2)c(F)c1 ZINC001462319151 1068050061 /nfs/dbraw/zinc/05/00/61/1068050061.db2.gz HYWWQUAALKGQQZ-UHFFFAOYSA-N 0 0 455.511 4.876 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)Cc2cnccn2)CC1 ZINC001546130796 1068050206 /nfs/dbraw/zinc/05/02/06/1068050206.db2.gz DMZUAXSYYLXYLK-UHFFFAOYSA-N 0 0 461.795 4.978 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC2CCOCC2)CCOCC1 ZINC001546130827 1068051515 /nfs/dbraw/zinc/05/15/15/1068051515.db2.gz FPEZMEDKCIFNBJ-UHFFFAOYSA-N 0 0 483.476 4.839 20 0 JJADRN COC[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1cccc(Br)c1 ZINC001462325065 1068051527 /nfs/dbraw/zinc/05/15/27/1068051527.db2.gz VNYZEBHZWGMOJG-AWEZNQCLSA-N 0 0 454.777 4.682 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)cc1 ZINC001462324579 1068051567 /nfs/dbraw/zinc/05/15/67/1068051567.db2.gz TVJZZAHPTCCGKT-GOSISDBHSA-N 0 0 450.560 4.555 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001462325940 1068051937 /nfs/dbraw/zinc/05/19/37/1068051937.db2.gz LXSVFYMSVSVJLU-IAGOWNOFSA-N 0 0 453.674 4.743 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccnc2Br)CC[C@H]1c1ccc(F)cc1 ZINC001462337671 1068054106 /nfs/dbraw/zinc/05/41/06/1068054106.db2.gz YSLHWVMWQQRDTK-RBUKOAKNSA-N 0 0 464.379 4.866 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)cc2nc1CC ZINC001462342628 1068055213 /nfs/dbraw/zinc/05/52/13/1068055213.db2.gz DMLZDVGGRRBZIR-FDDCHVKYSA-N 0 0 452.599 4.616 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)oc1-c1ccccc1 ZINC001462343315 1068055423 /nfs/dbraw/zinc/05/54/23/1068055423.db2.gz GNCNOFFYKGCCQL-RTWAWAEBSA-N 0 0 453.583 4.831 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)oc1-c1ccccc1 ZINC001462343309 1068055578 /nfs/dbraw/zinc/05/55/78/1068055578.db2.gz GNCNOFFYKGCCQL-LEWJYISDSA-N 0 0 453.583 4.831 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1ccc(F)cc1C(C)(F)F ZINC001462344442 1068055750 /nfs/dbraw/zinc/05/57/50/1068055750.db2.gz NFOSBZIRVXUBTA-UHFFFAOYSA-N 0 0 450.276 4.664 20 0 JJADRN CC(=O)c1ccc(Br)c(NC(=O)c2csc(I)c2)c1 ZINC001462347537 1068056285 /nfs/dbraw/zinc/05/62/85/1068056285.db2.gz DRMIVVRKGYJNEN-UHFFFAOYSA-N 0 0 450.095 4.570 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)nn1-c1ccccc1Cl ZINC001462346809 1068056323 /nfs/dbraw/zinc/05/63/23/1068056323.db2.gz ARQOCOSXEZEHPO-YLJYHZDGSA-N 0 0 458.990 4.696 20 0 JJADRN CC(=O)c1ccc(Br)c(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC001462348818 1068056732 /nfs/dbraw/zinc/05/67/32/1068056732.db2.gz MDCJDTFGJCYACU-UHFFFAOYSA-N 0 0 459.321 4.685 20 0 JJADRN CC1(C)COc2cc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)ccc2NC1=O ZINC001462349939 1068056972 /nfs/dbraw/zinc/05/69/72/1068056972.db2.gz FZQZTVRKFRTICF-UHFFFAOYSA-N 0 0 458.356 4.659 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462350150 1068057106 /nfs/dbraw/zinc/05/71/06/1068057106.db2.gz RBTNFENSVZILNA-IEBWSBKVSA-N 0 0 451.405 4.548 20 0 JJADRN CCC1(Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546131035 1068057857 /nfs/dbraw/zinc/05/78/57/1068057857.db2.gz NAGQDCAWIYRBIL-SFHVURJKSA-N 0 0 458.628 4.921 20 0 JJADRN COC(=O)c1cc(NCc2cccc(I)c2)ccc1N1CCCCC1 ZINC001462355352 1068058183 /nfs/dbraw/zinc/05/81/83/1068058183.db2.gz MNGUOYHUWWPVMJ-UHFFFAOYSA-N 0 0 450.320 4.680 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)Nc1cccc2c1OCCCO2)C1CCCCC1 ZINC001462362746 1068060082 /nfs/dbraw/zinc/06/00/82/1068060082.db2.gz KRUKRITUJZMHHU-UHFFFAOYSA-N 0 0 454.592 4.983 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(C)c1 ZINC001462366125 1068060969 /nfs/dbraw/zinc/06/09/69/1068060969.db2.gz OIMKBQKLVZERNR-FQEVSTJZSA-N 0 0 458.967 4.647 20 0 JJADRN Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]3C)cnc12 ZINC001462370678 1068061444 /nfs/dbraw/zinc/06/14/44/1068061444.db2.gz ACCDXIOTKXNMNJ-OWCLPIDISA-N 0 0 451.409 4.623 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc43)CC2)no1 ZINC001462374092 1068062200 /nfs/dbraw/zinc/06/22/00/1068062200.db2.gz IOKFVGOUFLCCAO-ZDUSSCGKSA-N 0 0 459.955 4.550 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)c3cccnc3Sc3ccc(C)cc3C)CC2)no1 ZINC001462376028 1068062432 /nfs/dbraw/zinc/06/24/32/1068062432.db2.gz RQRJBONDOMPOIZ-UHFFFAOYSA-N 0 0 451.548 4.644 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCNC(=O)C(C)C)CCCC1 ZINC001546131174 1068062890 /nfs/dbraw/zinc/06/28/90/1068062890.db2.gz RGTTUBDPOLGFGZ-UHFFFAOYSA-N 0 0 482.492 4.948 20 0 JJADRN COc1cc(Br)c(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1O ZINC001462386309 1068063778 /nfs/dbraw/zinc/06/37/78/1068063778.db2.gz NKFXXASOMOSZSO-YCPHGPKFSA-N 0 0 457.409 4.535 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001462396612 1068065759 /nfs/dbraw/zinc/06/57/59/1068065759.db2.gz ZLSPLFUIXCSTAP-MRXNPFEDSA-N 0 0 453.370 4.699 20 0 JJADRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(F)c(C(F)(F)F)c1 ZINC001462404523 1068066645 /nfs/dbraw/zinc/06/66/45/1068066645.db2.gz NWUZSKZOPLZZFD-UHFFFAOYSA-N 0 0 459.509 4.697 20 0 JJADRN Cc1c(I)cc(Br)cc1NC[C@H]1C[C@@]1(C)Br ZINC001462480432 1068082345 /nfs/dbraw/zinc/08/23/45/1068082345.db2.gz RGLRPAHYBXZOEV-PRHODGIISA-N 0 0 458.963 4.948 20 0 JJADRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001546131498 1068070355 /nfs/dbraw/zinc/07/03/55/1068070355.db2.gz BZNCGZRWPJLWQH-UPVQGACJSA-N 0 0 454.636 4.563 20 0 JJADRN O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1OC1CCCCC1 ZINC001462422752 1068071319 /nfs/dbraw/zinc/07/13/19/1068071319.db2.gz FKTROZYWUQDPTJ-FQEVSTJZSA-N 0 0 457.368 4.844 20 0 JJADRN O=C(Nc1ccc2c(c1)CN(Cc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2)C(F)(F)F ZINC001462424673 1068071997 /nfs/dbraw/zinc/07/19/97/1068071997.db2.gz DAHXZAMBUALYKO-UHFFFAOYSA-N 0 0 454.374 4.908 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)[C@@H]1CCCOC1 ZINC001462426101 1068072156 /nfs/dbraw/zinc/07/21/56/1068072156.db2.gz ODNGDXJXIOFCHF-OXQOHEQNSA-N 0 0 454.368 4.994 20 0 JJADRN COc1ccc2sc(C(=O)N[C@@H]3CCc4cc(Br)ccc4NC3=O)c(C)c2c1 ZINC001462425592 1068072292 /nfs/dbraw/zinc/07/22/92/1068072292.db2.gz MFPMGKFEWGRUHU-QGZVFWFLSA-N 0 0 459.365 4.664 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)[C@H]1CCCOC1 ZINC001462426099 1068072328 /nfs/dbraw/zinc/07/23/28/1068072328.db2.gz ODNGDXJXIOFCHF-OXJNMPFZSA-N 0 0 454.368 4.994 20 0 JJADRN CC(C)(C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1cccc2ccccc21 ZINC001462429096 1068072614 /nfs/dbraw/zinc/07/26/14/1068072614.db2.gz UYRFRIFALWBZNX-NRFANRHFSA-N 0 0 451.364 4.950 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001462427850 1068072776 /nfs/dbraw/zinc/07/27/76/1068072776.db2.gz RMXGSJNSCKUISM-MGPUTAFESA-N 0 0 459.384 4.718 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)ccc1F ZINC001462434652 1068073709 /nfs/dbraw/zinc/07/37/09/1068073709.db2.gz DZLJUNJWBXCVHN-HXUWFJFHSA-N 0 0 456.514 4.976 20 0 JJADRN C[C@@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccc(Cl)c(Cl)c1 ZINC001462438687 1068073956 /nfs/dbraw/zinc/07/39/56/1068073956.db2.gz HHCRMDDOGJBNMA-GFCCVEGCSA-N 0 0 451.304 4.600 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)O1 ZINC001462439700 1068074583 /nfs/dbraw/zinc/07/45/83/1068074583.db2.gz JETTWMXSTVQGAX-OPAMFIHVSA-N 0 0 452.904 4.864 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)/C=C/c3ccsc3C(F)(F)F)C2)O1 ZINC001462445653 1068076220 /nfs/dbraw/zinc/07/62/20/1068076220.db2.gz QEONOPQVYJCMEN-BPMZZNLFSA-N 0 0 450.526 4.672 20 0 JJADRN CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1=O ZINC001546131692 1068076740 /nfs/dbraw/zinc/07/67/40/1068076740.db2.gz IYRYMAKSQAHQOW-QZTJIDSGSA-N 0 0 454.592 4.990 20 0 JJADRN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001462449455 1068076835 /nfs/dbraw/zinc/07/68/35/1068076835.db2.gz YREWPRYJGQBWCP-UHFFFAOYSA-N 0 0 459.388 4.803 20 0 JJADRN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)O1 ZINC001462449376 1068076852 /nfs/dbraw/zinc/07/68/52/1068076852.db2.gz YDOFRLNKKGSZDK-AOMKIAJQSA-N 0 0 452.904 4.864 20 0 JJADRN Fc1ccc(C(F)(F)F)c(Br)c1CN1CCc2nnc(N3CCCC3)cc2C1 ZINC001462450587 1068077320 /nfs/dbraw/zinc/07/73/20/1068077320.db2.gz XYFGKBFDOQLKMF-UHFFFAOYSA-N 0 0 459.285 4.556 20 0 JJADRN Cc1cc(Br)cn2c(CN3CCc4ccc(F)c(Br)c4C3)cnc12 ZINC001462451070 1068077473 /nfs/dbraw/zinc/07/74/73/1068077473.db2.gz GOFBAPDDBRASKN-UHFFFAOYSA-N 0 0 453.153 4.865 20 0 JJADRN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462456042 1068078220 /nfs/dbraw/zinc/07/82/20/1068078220.db2.gz GGLLDPMOASGYQZ-GOSISDBHSA-N 0 0 454.317 4.944 20 0 JJADRN COc1ccc(C2CC2)c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC001462457306 1068078791 /nfs/dbraw/zinc/07/87/91/1068078791.db2.gz VWJLGDJNMODVNL-UHFFFAOYSA-N 0 0 457.368 4.826 20 0 JJADRN CCSc1ccc(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1 ZINC001462462414 1068079317 /nfs/dbraw/zinc/07/93/17/1068079317.db2.gz PQQZYHBPLAIPJX-UHFFFAOYSA-N 0 0 451.777 4.725 20 0 JJADRN COc1ccc(C(F)(F)C(=O)N(Cc2cnn(C)c2)c2ccc(Br)cc2)cc1 ZINC001462460867 1068079486 /nfs/dbraw/zinc/07/94/86/1068079486.db2.gz XTLGFAIOJBFNEL-UHFFFAOYSA-N 0 0 450.283 4.516 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)CCCC2 ZINC001462463414 1068079989 /nfs/dbraw/zinc/07/99/89/1068079989.db2.gz AHJULAMWTJDIFF-LZNRXBQRSA-N 0 0 475.383 4.523 20 0 JJADRN C[C@]1(c2ccccc2)CCCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001462463461 1068080070 /nfs/dbraw/zinc/08/00/70/1068080070.db2.gz BWPDGSIEQYYHHU-OAQYLSRUSA-N 0 0 457.315 4.628 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)CC2)cc1 ZINC001462467887 1068080535 /nfs/dbraw/zinc/08/05/35/1068080535.db2.gz HHHDAWJSQGRAMC-UHFFFAOYSA-N 0 0 455.318 4.988 20 0 JJADRN COC(=O)CCc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 ZINC001462466593 1068080640 /nfs/dbraw/zinc/08/06/40/1068080640.db2.gz GLEZHIZCOQXJBB-UHFFFAOYSA-N 0 0 455.308 4.994 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3)C2)nc1C ZINC001462469346 1068080749 /nfs/dbraw/zinc/08/07/49/1068080749.db2.gz YDNCBVCEQJIVKR-NSHDSACASA-N 0 0 457.777 4.674 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3csc(-c4ccc(CC)cc4)n3)C2)nc1C ZINC001462470461 1068080862 /nfs/dbraw/zinc/08/08/62/1068080862.db2.gz ZHLPCQZRUNCSBV-QGZVFWFLSA-N 0 0 455.605 4.944 20 0 JJADRN O=C(NCCc1sccc1Br)c1ccccc1OCc1cn2ccccc2n1 ZINC001462470827 1068081348 /nfs/dbraw/zinc/08/13/48/1068081348.db2.gz YDVFYEUITCNOFH-UHFFFAOYSA-N 0 0 456.365 4.710 20 0 JJADRN COc1cccc(COCC(=O)Oc2cc(C(C)(C)C)ccc2I)c1 ZINC001462489999 1068083839 /nfs/dbraw/zinc/08/38/39/1068083839.db2.gz JGSMDUPQMQWUNV-UHFFFAOYSA-N 0 0 454.304 4.720 20 0 JJADRN CC(C)(C)c1ccc(I)c(OC(=O)[C@]2(C)OCCc3ccccc32)c1 ZINC001462488564 1068083889 /nfs/dbraw/zinc/08/38/89/1068083889.db2.gz BSUUDGYDFHZSMR-OAQYLSRUSA-N 0 0 450.316 4.982 20 0 JJADRN CCOC(=O)c1cc(C(=O)Oc2cc(C(C)(C)C)ccc2I)[nH]c1C ZINC001462489486 1068083942 /nfs/dbraw/zinc/08/39/42/1068083942.db2.gz HJAIGQWWENUQBW-UHFFFAOYSA-N 0 0 455.292 4.621 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c(Cl)n1 ZINC001462491216 1068084447 /nfs/dbraw/zinc/08/44/47/1068084447.db2.gz AVEBNMPBBCHIFF-UHFFFAOYSA-N 0 0 458.743 4.988 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@H](Cc3cccnc3)C3CCCC3)CC2)n1 ZINC001462494852 1068084893 /nfs/dbraw/zinc/08/48/93/1068084893.db2.gz GRYBDXAYMKYARH-OAQYLSRUSA-N 0 0 455.624 4.545 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H](Cc3cccnc3)C3CCCC3)CC2)n1 ZINC001462494846 1068084924 /nfs/dbraw/zinc/08/49/24/1068084924.db2.gz GRYBDXAYMKYARH-NRFANRHFSA-N 0 0 455.624 4.545 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC001462499389 1068086358 /nfs/dbraw/zinc/08/63/58/1068086358.db2.gz DRVDGGYCRZQTOX-SJLPKXTDSA-N 0 0 457.398 4.790 20 0 JJADRN CCOc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2(C)C)cc(OCC)c1OCC ZINC001462499777 1068086405 /nfs/dbraw/zinc/08/64/05/1068086405.db2.gz WBGMKKWQBZPIFI-UHFFFAOYSA-N 0 0 457.567 4.834 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(C)nc3c2)cc1 ZINC001462500711 1068086830 /nfs/dbraw/zinc/08/68/30/1068086830.db2.gz NTGVEJCMKILEAF-NRFANRHFSA-N 0 0 451.523 4.579 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H](C)Oc3cccc(C(C)(C)C)c3)CC2)n1 ZINC001462506286 1068087184 /nfs/dbraw/zinc/08/71/84/1068087184.db2.gz RCKFQHMJYFOVIS-QGZVFWFLSA-N 0 0 458.624 4.866 20 0 JJADRN COc1ccc(OC)c(NC(=O)C[C@H](C)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)c1 ZINC001462507429 1068087522 /nfs/dbraw/zinc/08/75/22/1068087522.db2.gz SUEQNZDIFUGIEE-ORYQWCPZSA-N 0 0 469.582 4.914 20 0 JJADRN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1cccc(Br)c1 ZINC001462511229 1068088659 /nfs/dbraw/zinc/08/86/59/1068088659.db2.gz QNAJRFVXOQLCNC-INIZCTEOSA-N 0 0 451.405 4.945 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)c1 ZINC001462512795 1068089069 /nfs/dbraw/zinc/08/90/69/1068089069.db2.gz ZWHNAEWERKQQGH-UHFFFAOYSA-N 0 0 455.368 4.902 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)NCc2ccc3ccc(Br)cc3c2)CC1=O ZINC001462512518 1068089152 /nfs/dbraw/zinc/08/91/52/1068089152.db2.gz XNJDIFJHCKMGOB-HXUWFJFHSA-N 0 0 451.364 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C2(CCC2)CC1 ZINC001462516911 1068089461 /nfs/dbraw/zinc/08/94/61/1068089461.db2.gz KJMAVKOGCDGEMY-UHFFFAOYSA-N 0 0 458.990 4.591 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)c2ncc(C(N)=O)cc2Cl)cc1 ZINC001462515984 1068089546 /nfs/dbraw/zinc/08/95/46/1068089546.db2.gz XGIPBYKDBAAKGR-UHFFFAOYSA-N 0 0 459.930 4.759 20 0 JJADRN Brc1cnc(CN2CCC(c3nc(C4CCC4)no3)CC2)c(Br)c1 ZINC001462519906 1068090434 /nfs/dbraw/zinc/09/04/34/1068090434.db2.gz BXHDMJLWHLZNEW-UHFFFAOYSA-N 0 0 456.182 4.637 20 0 JJADRN C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001462524901 1068091455 /nfs/dbraw/zinc/09/14/55/1068091455.db2.gz FLPIEZUJFYJLFW-CZAAIQMYSA-N 0 0 454.954 4.827 20 0 JJADRN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001462524807 1068091468 /nfs/dbraw/zinc/09/14/68/1068091468.db2.gz ATHOUORJVGJMPP-LLVKDONJSA-N 0 0 452.736 4.571 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001462525456 1068091591 /nfs/dbraw/zinc/09/15/91/1068091591.db2.gz YLFMYBQQVDDXHG-JKSUJKDBSA-N 0 0 456.917 4.945 20 0 JJADRN CC(C)CS(=O)(=O)CCC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001462526035 1068091861 /nfs/dbraw/zinc/09/18/61/1068091861.db2.gz DVGGTBXYPMVVNO-UHFFFAOYSA-N 0 0 459.942 4.830 20 0 JJADRN C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001462527996 1068092412 /nfs/dbraw/zinc/09/24/12/1068092412.db2.gz WYGGRAQLNULZAI-JHTITAFHSA-N 0 0 479.964 4.645 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@@H]2CCSC2)CCOCC1 ZINC001546132260 1068092725 /nfs/dbraw/zinc/09/27/25/1068092725.db2.gz BHTMOLQNAAIDDJ-HXUWFJFHSA-N 0 0 474.671 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)(C(F)(F)F)C1 ZINC001462530713 1068092750 /nfs/dbraw/zinc/09/27/50/1068092750.db2.gz LZBVTMUPZDZPAC-QMTMVMCOSA-N 0 0 466.422 4.867 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001462534414 1068093042 /nfs/dbraw/zinc/09/30/42/1068093042.db2.gz FMHNCIDVFODXNE-UHFFFAOYSA-N 0 0 456.827 4.796 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001462537010 1068093590 /nfs/dbraw/zinc/09/35/90/1068093590.db2.gz NAPOPZFZOADSRG-DLBZAZTESA-N 0 0 454.876 4.714 20 0 JJADRN COC(=O)c1cc(Cl)cc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001462546762 1068096219 /nfs/dbraw/zinc/09/62/19/1068096219.db2.gz XJUGUYSJTWWDCV-UHFFFAOYSA-N 0 0 455.363 4.641 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001462551319 1068096938 /nfs/dbraw/zinc/09/69/38/1068096938.db2.gz SXMBNSXPXCHDCL-JOCHJYFZSA-N 0 0 457.864 4.957 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC001462551322 1068097048 /nfs/dbraw/zinc/09/70/48/1068097048.db2.gz SXMBNSXPXCHDCL-QFIPXVFZSA-N 0 0 457.864 4.957 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNCc3cc(Cl)ccc3I)C2)cc1C ZINC001462557835 1068097935 /nfs/dbraw/zinc/09/79/35/1068097935.db2.gz WJVTVKNPXPCMOX-QGZVFWFLSA-N 0 0 454.739 4.844 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001546132473 1068099163 /nfs/dbraw/zinc/09/91/63/1068099163.db2.gz JZKGLHBZUNHKOG-OAHLLOKOSA-N 0 0 451.434 4.848 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001462565490 1068099263 /nfs/dbraw/zinc/09/92/63/1068099263.db2.gz FPIKQNRNYWLAGG-GGAORHGYSA-N 0 0 455.961 4.802 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001546132495 1068099426 /nfs/dbraw/zinc/09/94/26/1068099426.db2.gz KOVNMDUJYIVMJY-RDTXWAMCSA-N 0 0 451.384 4.898 20 0 JJADRN O=C(NCCn1ccc(C(F)(F)F)n1)c1ccccc1Oc1cccc(Br)c1 ZINC001462570067 1068099791 /nfs/dbraw/zinc/09/97/91/1068099791.db2.gz QEZLWVSWHIUBLD-UHFFFAOYSA-N 0 0 454.246 4.887 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 ZINC001546132515 1068100089 /nfs/dbraw/zinc/10/00/89/1068100089.db2.gz LGKBQSIYFZRQSO-HNNXBMFYSA-N 0 0 478.410 4.519 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570821 1068100679 /nfs/dbraw/zinc/10/06/79/1068100679.db2.gz XKVQIIZTSLZFKE-YZGWKJHDSA-N 0 0 473.614 4.725 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC[C@H](C(F)(F)F)O1 ZINC001462574003 1068101138 /nfs/dbraw/zinc/10/11/38/1068101138.db2.gz YMSCLPOTKMHNJW-YVEFUNNKSA-N 0 0 459.262 4.818 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC[C@H](C(F)(F)F)O1 ZINC001462574002 1068101144 /nfs/dbraw/zinc/10/11/44/1068101144.db2.gz YMSCLPOTKMHNJW-SJKOYZFVSA-N 0 0 459.262 4.818 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC[C@@H](C(F)(F)F)O[C@@H](C)C3)cc12 ZINC001462577392 1068102284 /nfs/dbraw/zinc/10/22/84/1068102284.db2.gz HCGHEPVDHMTYRF-SGTLLEGYSA-N 0 0 455.477 4.776 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001546132608 1068103856 /nfs/dbraw/zinc/10/38/56/1068103856.db2.gz OCILPVGAVSOFAH-MRXNPFEDSA-N 0 0 463.420 4.769 20 0 JJADRN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN[C@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584335 1068104373 /nfs/dbraw/zinc/10/43/73/1068104373.db2.gz JUIQBJZTYSQFKV-HNAYVOBHSA-N 0 0 456.965 4.661 20 0 JJADRN CCOc1cc(CN[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc(Br)c1O ZINC001462586304 1068105167 /nfs/dbraw/zinc/10/51/67/1068105167.db2.gz ACVKOVICCHSUBN-SFHVURJKSA-N 0 0 454.336 4.865 20 0 JJADRN CCOc1cc(CN[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc(Br)c1O ZINC001462586294 1068105190 /nfs/dbraw/zinc/10/51/90/1068105190.db2.gz ACVKOVICCHSUBN-GOSISDBHSA-N 0 0 454.336 4.865 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589830 1068105810 /nfs/dbraw/zinc/10/58/10/1068105810.db2.gz KRXMKODNUJVTFQ-RIYHHTFRSA-N 0 0 450.004 4.543 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@H](OCCOC)C2)CC1 ZINC001546132638 1068105836 /nfs/dbraw/zinc/10/58/36/1068105836.db2.gz OZYHLOMVHDLSJY-QGZVFWFLSA-N 0 0 481.410 4.669 20 0 JJADRN CC1(C)CCc2cc(Br)ccc2N1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001462590887 1068106449 /nfs/dbraw/zinc/10/64/49/1068106449.db2.gz UPGIHYDSRAXXMJ-UHFFFAOYSA-N 0 0 455.352 4.583 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590356 1068106515 /nfs/dbraw/zinc/10/65/15/1068106515.db2.gz LRSZOMRUMVVQKQ-VQTJNVASSA-N 0 0 452.521 4.767 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590334 1068106641 /nfs/dbraw/zinc/10/66/41/1068106641.db2.gz LRSZOMRUMVVQKQ-PMACEKPBSA-N 0 0 452.521 4.767 20 0 JJADRN C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC001462591116 1068107088 /nfs/dbraw/zinc/10/70/88/1068107088.db2.gz VDWLYBPRSYXVPK-AWEZNQCLSA-N 0 0 458.477 4.594 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCCN(C(C)=O)CC2)CCC1 ZINC001546132664 1068107526 /nfs/dbraw/zinc/10/75/26/1068107526.db2.gz PSYHNAYNLWWNII-UHFFFAOYSA-N 0 0 474.447 4.655 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CCC1 ZINC001546132714 1068108853 /nfs/dbraw/zinc/10/88/53/1068108853.db2.gz QVNOECWSFXACEK-SFHVURJKSA-N 0 0 473.065 4.951 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC001546132724 1068109456 /nfs/dbraw/zinc/10/94/56/1068109456.db2.gz RAPSVOFRTDFILJ-IAGOWNOFSA-N 0 0 493.446 4.537 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(CC(=O)NC)CC2)CCC1 ZINC001546132753 1068110726 /nfs/dbraw/zinc/11/07/26/1068110726.db2.gz SOOYOBMOKMSEHE-UHFFFAOYSA-N 0 0 460.022 4.540 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCS(C)(=O)=O)C2CC2)CCCC1 ZINC001546132752 1068110740 /nfs/dbraw/zinc/11/07/40/1068110740.db2.gz SJHKQNNRFWYPKR-UHFFFAOYSA-N 0 0 469.026 4.721 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)Cc2ccccc21 ZINC001462610683 1068111518 /nfs/dbraw/zinc/11/15/18/1068111518.db2.gz WBLGMXZRRXOYIW-LLVKDONJSA-N 0 0 456.121 4.813 20 0 JJADRN CCC(=O)N1CCc2ccc(NC3CCC(NC(=O)COc4ccc(Cl)cc4)CC3)cc21 ZINC001462610914 1068111524 /nfs/dbraw/zinc/11/15/24/1068111524.db2.gz DLOMLPLCKVQXLX-UHFFFAOYSA-N 0 0 455.986 4.557 20 0 JJADRN COc1ccccc1[C@@H]1CSCCCN1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001462617277 1068112866 /nfs/dbraw/zinc/11/28/66/1068112866.db2.gz DJWIVENEMPVYEO-KXBFYZLASA-N 0 0 450.398 4.932 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001462617276 1068113012 /nfs/dbraw/zinc/11/30/12/1068113012.db2.gz DJWIVENEMPVYEO-HNAYVOBHSA-N 0 0 450.398 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCCc3ccccc3Br)CCC[C@H]12 ZINC001462620391 1068113858 /nfs/dbraw/zinc/11/38/58/1068113858.db2.gz APMVZXUNKYDDGU-PGRDOPGGSA-N 0 0 451.405 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)C(F)(F)c3cccc(Br)c3)CCC[C@H]12 ZINC001462621407 1068114143 /nfs/dbraw/zinc/11/41/43/1068114143.db2.gz XIERNQALRBCJNK-KXBFYZLASA-N 0 0 459.331 4.589 20 0 JJADRN CC(C)COc1cc(N[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1Br ZINC001462621262 1068114220 /nfs/dbraw/zinc/11/42/20/1068114220.db2.gz DBEPHWIRHGCBSE-HNAYVOBHSA-N 0 0 457.409 4.920 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cs1)c1ccc(F)cc1F ZINC001462623476 1068114927 /nfs/dbraw/zinc/11/49/27/1068114927.db2.gz MDCOTVDUACQVOR-GDBMZVCRSA-N 0 0 480.581 4.699 20 0 JJADRN COc1cccc(Cc2cnc(NC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)s2)c1 ZINC001462624422 1068115693 /nfs/dbraw/zinc/11/56/93/1068115693.db2.gz AODSKBQIHYTUJZ-MOPGFXCFSA-N 0 0 474.380 4.616 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)CC2=O)cc1 ZINC001462626529 1068116151 /nfs/dbraw/zinc/11/61/51/1068116151.db2.gz AEISOFKBYNSGLL-KRWDZBQOSA-N 0 0 450.888 4.995 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462626458 1068116249 /nfs/dbraw/zinc/11/62/49/1068116249.db2.gz NDFHHZMINSKZOL-QRFQSNJMSA-N 0 0 456.505 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC001462627855 1068116876 /nfs/dbraw/zinc/11/68/76/1068116876.db2.gz OPEAEJJLYQMTEN-IBGZPJMESA-N 0 0 454.970 4.934 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)C[C@@H](C)O1 ZINC001462634279 1068119588 /nfs/dbraw/zinc/11/95/88/1068119588.db2.gz LPLFGMHKPGFYPN-QZTJIDSGSA-N 0 0 457.412 4.520 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001462636721 1068120814 /nfs/dbraw/zinc/12/08/14/1068120814.db2.gz VPIPDLJVWIYSER-ZDUSSCGKSA-N 0 0 453.174 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)(C(F)(F)F)CC1 ZINC001462646587 1068122787 /nfs/dbraw/zinc/12/27/87/1068122787.db2.gz RGFZYGQNJJXXKZ-UHFFFAOYSA-N 0 0 455.502 4.872 20 0 JJADRN Cc1ccc(N(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462650691 1068124442 /nfs/dbraw/zinc/12/44/42/1068124442.db2.gz QXNDLONNQYWCQT-YWZLYKJASA-N 0 0 456.391 4.676 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC001462651542 1068124517 /nfs/dbraw/zinc/12/45/17/1068124517.db2.gz ZZYHBFDZAJAIQI-CBGDNZLLSA-N 0 0 450.542 4.666 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)O3)cc12 ZINC001462653743 1068125236 /nfs/dbraw/zinc/12/52/36/1068125236.db2.gz HYGAMZUMJBEJLT-QAPCUYQASA-N 0 0 455.477 4.823 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001462655746 1068125659 /nfs/dbraw/zinc/12/56/59/1068125659.db2.gz SGRNCIQHQDKNNZ-UHFFFAOYSA-N 0 0 456.274 4.851 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 ZINC001462665992 1068127186 /nfs/dbraw/zinc/12/71/86/1068127186.db2.gz ZRXMVVNBMHTDNH-BBRMVZONSA-N 0 0 452.502 4.729 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001462670904 1068127948 /nfs/dbraw/zinc/12/79/48/1068127948.db2.gz QPWBMZJSTFCDIO-BWMZKYQQSA-N 0 0 453.316 4.678 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCCc2cnc3ccccc3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001462666122 1068127963 /nfs/dbraw/zinc/12/79/63/1068127963.db2.gz XZFWOPNNKDWSBD-REWPJTCUSA-N 0 0 455.480 4.522 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC001462678733 1068129885 /nfs/dbraw/zinc/12/98/85/1068129885.db2.gz IXSLKJLNOJSWFS-IBGZPJMESA-N 0 0 450.604 4.895 20 0 JJADRN COC(=O)c1ccc(COc2ccc(CNc3cc(Cl)c4c(c3)OCCO4)cc2OC)o1 ZINC001462683589 1068131339 /nfs/dbraw/zinc/13/13/39/1068131339.db2.gz MHHKVAAFZQQAHE-UHFFFAOYSA-N 0 0 459.882 4.691 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(N(C)C)ccn3)c2)cc1 ZINC001546133168 1068131401 /nfs/dbraw/zinc/13/14/01/1068131401.db2.gz HJVOGFWSQBGSTB-UHFFFAOYSA-N 0 0 452.580 4.543 20 0 JJADRN CC(=O)Nc1cc(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1Br ZINC001462695228 1068134115 /nfs/dbraw/zinc/13/41/15/1068134115.db2.gz PAPWCWIFXHGCSB-UHFFFAOYSA-N 0 0 452.248 4.502 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001462700281 1068134962 /nfs/dbraw/zinc/13/49/62/1068134962.db2.gz VLYCIXLGWCQGOC-HNNXBMFYSA-N 0 0 453.174 4.745 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCCc2cccc(Br)c2C)cc(C(F)(F)F)c1 ZINC001462700494 1068135019 /nfs/dbraw/zinc/13/50/19/1068135019.db2.gz SLBAHBCUZLNEBT-UHFFFAOYSA-N 0 0 459.262 4.927 20 0 JJADRN Cc1cc(C(=O)Nc2cc(I)cc(C(F)(F)F)c2C)nn1C(C)C ZINC001462702902 1068136408 /nfs/dbraw/zinc/13/64/08/1068136408.db2.gz STXBEFZATOEKFV-UHFFFAOYSA-N 0 0 451.230 4.957 20 0 JJADRN COCCN(Cc1ccccc1)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001462704107 1068136445 /nfs/dbraw/zinc/13/64/45/1068136445.db2.gz ZAUKOAOTEAPPAF-UHFFFAOYSA-N 0 0 456.511 4.666 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Oc1ccc2cc(Br)ccc2c1 ZINC001462702848 1068136456 /nfs/dbraw/zinc/13/64/56/1068136456.db2.gz ZKHKJIURBCRNRP-JKSUJKDBSA-N 0 0 453.276 4.811 20 0 JJADRN CO[C@@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1Br ZINC001462703902 1068136488 /nfs/dbraw/zinc/13/64/88/1068136488.db2.gz IAIIHGLOTCXPFJ-NVXWUHKLSA-N 0 0 455.146 4.539 20 0 JJADRN COCc1nc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(-c2ccccc2)s1 ZINC001462703946 1068136495 /nfs/dbraw/zinc/13/64/95/1068136495.db2.gz JBKNFNRZHWFQAH-MRXNPFEDSA-N 0 0 459.365 4.973 20 0 JJADRN CC(=O)N1C[C@H](C(=O)N2C[C@@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)Oc2ccccc21 ZINC001462706866 1068137618 /nfs/dbraw/zinc/13/76/18/1068137618.db2.gz GQHHGUADKGWLME-HXPMCKFVSA-N 0 0 452.860 4.698 20 0 JJADRN COc1ccc(-n2cc(C(=O)N3C[C@@H](C)Cc4cc(C(F)(F)F)cc(Cl)c43)nn2)cc1 ZINC001462706995 1068137631 /nfs/dbraw/zinc/13/76/31/1068137631.db2.gz GVCPMAQUWHAZCP-LBPRGKRZSA-N 0 0 450.848 4.787 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC001462707937 1068138290 /nfs/dbraw/zinc/13/82/90/1068138290.db2.gz LXPGDLMZSRSVPU-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001462708385 1068138959 /nfs/dbraw/zinc/13/89/59/1068138959.db2.gz UJTMNUTXNDLSAH-UHFFFAOYSA-N 0 0 451.169 4.512 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC001462708928 1068139016 /nfs/dbraw/zinc/13/90/16/1068139016.db2.gz QZGHBDRLBNXMGS-VIFPVBQESA-N 0 0 454.734 4.920 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)Oc2cc(C=O)c(Br)cc2OC)cc1 ZINC001462713562 1068140057 /nfs/dbraw/zinc/14/00/57/1068140057.db2.gz FGUBIQJJLZQJAD-UHFFFAOYSA-N 0 0 457.342 4.607 20 0 JJADRN CC[C@H](CS(=O)(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC)OC ZINC001462717626 1068140669 /nfs/dbraw/zinc/14/06/69/1068140669.db2.gz XTGKHTJQSQLQNW-LJQANCHMSA-N 0 0 457.548 4.543 20 0 JJADRN CCCCCOc1ccc(OS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1 ZINC001462717361 1068140676 /nfs/dbraw/zinc/14/06/76/1068140676.db2.gz WSJNUSMUTJDNQF-UHFFFAOYSA-N 0 0 459.358 4.803 20 0 JJADRN O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001462718149 1068141189 /nfs/dbraw/zinc/14/11/89/1068141189.db2.gz DYCVRYJSZYNBSE-UHFFFAOYSA-N 0 0 459.804 4.892 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)c(Cl)cc1NC(C)=O ZINC001462720865 1068141781 /nfs/dbraw/zinc/14/17/81/1068141781.db2.gz MFGSIBAKJHAYTE-UHFFFAOYSA-N 0 0 456.882 4.523 20 0 JJADRN CCCc1c(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC001462721238 1068142399 /nfs/dbraw/zinc/14/23/99/1068142399.db2.gz AVIFFBQZCUQJET-QZTJIDSGSA-N 0 0 458.578 4.587 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@H](C)[C@H]3c3ccccc3)n2)cc(Cl)c1OC ZINC001462726277 1068143985 /nfs/dbraw/zinc/14/39/85/1068143985.db2.gz YRGWYYYPXSHXBJ-NYHFZMIOSA-N 0 0 455.942 4.950 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(Br)ccc1C1CC1 ZINC001462725374 1068144042 /nfs/dbraw/zinc/14/40/42/1068144042.db2.gz YTDRFNLYNIEMSO-GDBMZVCRSA-N 0 0 451.405 4.949 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H](c1ccccc1)c1ccccn1 ZINC001462727430 1068144685 /nfs/dbraw/zinc/14/46/85/1068144685.db2.gz HTGQHVZZPIFNLW-IBGZPJMESA-N 0 0 451.773 4.707 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)C1=Cc2cc(Br)ccc2OC1 ZINC001462728021 1068145197 /nfs/dbraw/zinc/14/51/97/1068145197.db2.gz BNZGSZIOGNCFAL-IBGZPJMESA-N 0 0 454.773 4.907 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1=Cc2cc(Br)ccc2OC1 ZINC001462728029 1068145208 /nfs/dbraw/zinc/14/52/08/1068145208.db2.gz BNZGSZIOGNCFAL-LJQANCHMSA-N 0 0 454.773 4.907 20 0 JJADRN O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001462729570 1068146480 /nfs/dbraw/zinc/14/64/80/1068146480.db2.gz GKSSONGFCVTZEU-QHCPKHFHSA-N 0 0 457.998 4.944 20 0 JJADRN COc1cc(C)c(S(=O)(=O)Oc2ccc(Br)cc2Br)c(C)c1 ZINC001462732289 1068147136 /nfs/dbraw/zinc/14/71/36/1068147136.db2.gz ISIIFPXVZSGTBY-UHFFFAOYSA-N 0 0 450.148 4.605 20 0 JJADRN Cc1cc(F)c(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1F ZINC001462734873 1068147705 /nfs/dbraw/zinc/14/77/05/1068147705.db2.gz LBMCDPDWYINECU-UHFFFAOYSA-N 0 0 453.514 4.947 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001462737408 1068148946 /nfs/dbraw/zinc/14/89/46/1068148946.db2.gz HXDIHAOGPLAKFZ-GFCCVEGCSA-N 0 0 450.807 4.534 20 0 JJADRN CO[C@H](CS(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CCCC1 ZINC001462739440 1068150202 /nfs/dbraw/zinc/15/02/02/1068150202.db2.gz XYHLNNSSKSBLMA-OAQYLSRUSA-N 0 0 459.637 4.568 20 0 JJADRN CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001462741240 1068150553 /nfs/dbraw/zinc/15/05/53/1068150553.db2.gz XFXSOKVQWDMTCT-UHFFFAOYSA-N 0 0 450.514 4.948 20 0 JJADRN Cc1ccc(CCCNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(C)c1 ZINC001462740773 1068150645 /nfs/dbraw/zinc/15/06/45/1068150645.db2.gz QHKFEAQMLQBZOT-UHFFFAOYSA-N 0 0 450.320 4.996 20 0 JJADRN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3c4ccccc4sc3C(=O)OC)oc21 ZINC001462741829 1068151200 /nfs/dbraw/zinc/15/12/00/1068151200.db2.gz IXZDROUUURSGBB-CYBMUJFWSA-N 0 0 459.545 4.872 20 0 JJADRN COc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1OC ZINC001462743533 1068151762 /nfs/dbraw/zinc/15/17/62/1068151762.db2.gz HBLULDQTEHKGEU-QGZVFWFLSA-N 0 0 454.445 4.927 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)c2ccc(OCCOC)c(C)c2)c2cccc(F)c2)cc1 ZINC001462742614 1068151815 /nfs/dbraw/zinc/15/18/15/1068151815.db2.gz ILXGETRAPONJKB-RUZDIDTESA-N 0 0 457.567 4.790 20 0 JJADRN CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC001462743811 1068152565 /nfs/dbraw/zinc/15/25/65/1068152565.db2.gz KEDKMPXLZDALHL-UHFFFAOYSA-N 0 0 455.910 4.837 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462746528 1068153027 /nfs/dbraw/zinc/15/30/27/1068153027.db2.gz SQPVKEXGGRVRCP-VWNXMTODSA-N 0 0 458.624 4.524 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c2cccc(F)c2)cc1 ZINC001462747313 1068153861 /nfs/dbraw/zinc/15/38/61/1068153861.db2.gz XTHHFVNQGBDRNB-XMMPIXPASA-N 0 0 454.567 4.548 20 0 JJADRN CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001462748580 1068153907 /nfs/dbraw/zinc/15/39/07/1068153907.db2.gz DGYDMLHAAMBAGV-UHFFFAOYSA-N 0 0 456.898 4.706 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N(C)CC(=O)NC(C)C)CCCC1 ZINC001546134034 1068154270 /nfs/dbraw/zinc/15/42/70/1068154270.db2.gz JCXCEOMSPFXEQT-UHFFFAOYSA-N 0 0 462.436 4.639 20 0 JJADRN CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC001462749763 1068154277 /nfs/dbraw/zinc/15/42/77/1068154277.db2.gz HGYWKYNOZFFSDE-UHFFFAOYSA-N 0 0 451.972 4.885 20 0 JJADRN CC(=O)N1Cc2ccc(S(=O)(=O)N[C@@H](c3cccs3)c3ccc(C(C)C)cc3)cc2C1 ZINC001462750560 1068155110 /nfs/dbraw/zinc/15/51/10/1068155110.db2.gz IJHPNGCWLZQQHE-XMMPIXPASA-N 0 0 454.617 4.802 20 0 JJADRN O=C(NCc1ccn(-c2ccc(Br)cc2)n1)c1ccnc(OC2CCCCC2)c1 ZINC001462756136 1068156964 /nfs/dbraw/zinc/15/69/64/1068156964.db2.gz PENISAVZNVLQEW-UHFFFAOYSA-N 0 0 455.356 4.671 20 0 JJADRN CCN(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462760264 1068158273 /nfs/dbraw/zinc/15/82/73/1068158273.db2.gz UOCDDYDACQXQFR-QGZVFWFLSA-N 0 0 451.995 4.918 20 0 JJADRN CCC[C@@H](C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)c1ccc(Cl)cc1 ZINC001462765905 1068160163 /nfs/dbraw/zinc/16/01/63/1068160163.db2.gz OXDQVJHNUNJAPN-NAOGDZDTSA-N 0 0 479.017 4.529 20 0 JJADRN O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001462768419 1068160731 /nfs/dbraw/zinc/16/07/31/1068160731.db2.gz XGVSCFLBNLACKG-UHFFFAOYSA-N 0 0 453.951 4.856 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)NCCc3ccc4ncccc4c3)[nH]c(=O)c2c1C ZINC001462767996 1068160760 /nfs/dbraw/zinc/16/07/60/1068160760.db2.gz XNPMYTPLTHYDKJ-HNNXBMFYSA-N 0 0 452.605 4.543 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Cl ZINC001462770099 1068161834 /nfs/dbraw/zinc/16/18/34/1068161834.db2.gz OMQJDRWCUGTDTC-IEBWSBKVSA-N 0 0 455.908 4.563 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)s1 ZINC001462769589 1068161901 /nfs/dbraw/zinc/16/19/01/1068161901.db2.gz VTJURLFNYRAWCR-MRXNPFEDSA-N 0 0 451.539 4.741 20 0 JJADRN C[C@@H]1CN(C(=O)CCSc2ccc(Br)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462771000 1068162477 /nfs/dbraw/zinc/16/24/77/1068162477.db2.gz WIUSHMPDEOZJMU-HZPDHXFCSA-N 0 0 471.461 4.941 20 0 JJADRN COc1ccc(CCC2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC001462771433 1068162990 /nfs/dbraw/zinc/16/29/90/1068162990.db2.gz QOVNAUZYAXCKNY-UHFFFAOYSA-N 0 0 457.514 4.670 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC001462771734 1068163114 /nfs/dbraw/zinc/16/31/14/1068163114.db2.gz MNVHTMHHWFXMJP-IBGZPJMESA-N 0 0 451.544 4.776 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(C)cc1Br ZINC001462771123 1068163150 /nfs/dbraw/zinc/16/31/50/1068163150.db2.gz ZOVUKGOVOMPISE-IEBWSBKVSA-N 0 0 455.318 4.859 20 0 JJADRN COc1ccc(CCC2CCN(S(=O)(=O)c3ccc4nc(Cl)sc4c3)CC2)cc1 ZINC001462772965 1068163680 /nfs/dbraw/zinc/16/36/80/1068163680.db2.gz CUZGVYGKZXPKGJ-UHFFFAOYSA-N 0 0 451.013 4.992 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)c(F)cc1C ZINC001462776752 1068164756 /nfs/dbraw/zinc/16/47/56/1068164756.db2.gz KWTGUQVALCMNCO-UHFFFAOYSA-N 0 0 457.523 4.715 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(OC)cc3OCC(C)C)cc2)ccn1 ZINC001462778599 1068165815 /nfs/dbraw/zinc/16/58/15/1068165815.db2.gz XATANITXEDKKIL-UHFFFAOYSA-N 0 0 450.491 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nccc(-c4ccc(F)c(F)c4)n3)ccc21 ZINC001462781351 1068166400 /nfs/dbraw/zinc/16/64/00/1068166400.db2.gz IAGCCPPYTHKLLX-UHFFFAOYSA-N 0 0 452.461 4.972 20 0 JJADRN CSC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CCCCC1 ZINC001462788854 1068167785 /nfs/dbraw/zinc/16/77/85/1068167785.db2.gz CNPBTHTZKXQOAT-MRXNPFEDSA-N 0 0 459.077 4.556 20 0 JJADRN CN(CCc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001462794091 1068168994 /nfs/dbraw/zinc/16/89/94/1068168994.db2.gz UVCSEUSBUINHFC-UHFFFAOYSA-N 0 0 455.308 4.680 20 0 JJADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(F)cc3Br)cc21 ZINC001462795391 1068169576 /nfs/dbraw/zinc/16/95/76/1068169576.db2.gz KJZKAAUMMXZJNF-UHFFFAOYSA-N 0 0 457.273 4.587 20 0 JJADRN CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001462795429 1068169581 /nfs/dbraw/zinc/16/95/81/1068169581.db2.gz KSTXGZQFBKFLQL-UHFFFAOYSA-N 0 0 453.174 4.727 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)c2ccc3nc(C)oc3c2)ccc1OCc1ccccc1 ZINC001462795497 1068170103 /nfs/dbraw/zinc/17/01/03/1068170103.db2.gz LEYDJLYJSJEIQH-UHFFFAOYSA-N 0 0 452.532 4.545 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(-c2cccs2)nc1C)c1ccccc1OC(F)(F)F ZINC001462796492 1068170158 /nfs/dbraw/zinc/17/01/58/1068170158.db2.gz ZNMVMHIIFZNUQI-GOSISDBHSA-N 0 0 450.438 4.661 20 0 JJADRN CCOc1cc(CN(C)S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(F)F ZINC001462797950 1068170609 /nfs/dbraw/zinc/17/06/09/1068170609.db2.gz JVQCXQDKIJWIME-UHFFFAOYSA-N 0 0 457.539 4.948 20 0 JJADRN CCC(C)(C)C1CCC(NS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 ZINC001462797787 1068170720 /nfs/dbraw/zinc/17/07/20/1068170720.db2.gz VDYZBYMFNYFWSH-UHFFFAOYSA-N 0 0 459.450 4.989 20 0 JJADRN CCOc1c(Br)cc(C(=O)N(CCOC)Cc2ccc(C)c(C)c2)cc1OC ZINC001462802940 1068171816 /nfs/dbraw/zinc/17/18/16/1068171816.db2.gz GEWCKVAMHANRAJ-UHFFFAOYSA-N 0 0 450.373 4.762 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCO[C@H](c2ccccc2)C1 ZINC001462806114 1068172332 /nfs/dbraw/zinc/17/23/32/1068172332.db2.gz UERFOGBUCOHAJB-HNNXBMFYSA-N 0 0 451.169 4.518 20 0 JJADRN COc1ccc(C(NS(=O)(=O)CCC2Cc3ccccc3C2)c2ccc(OC)cc2)cc1 ZINC001462813140 1068173984 /nfs/dbraw/zinc/17/39/84/1068173984.db2.gz FPZYJSIYSTXPRI-UHFFFAOYSA-N 0 0 451.588 4.518 20 0 JJADRN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001462815324 1068175107 /nfs/dbraw/zinc/17/51/07/1068175107.db2.gz XVULULXPUPUYAO-UHFFFAOYSA-N 0 0 455.845 4.756 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC001462818471 1068175567 /nfs/dbraw/zinc/17/55/67/1068175567.db2.gz SBWKLHXXAHGTGE-RISCZKNCSA-N 0 0 458.349 4.667 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCCc2cc(F)ccc2F)CC[C@@H]1C(F)(F)F ZINC001462821450 1068176810 /nfs/dbraw/zinc/17/68/10/1068176810.db2.gz DWDDKTRDTOIFCF-DOTOQJQBSA-N 0 0 450.448 4.592 20 0 JJADRN CC(C)(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001462823402 1068177393 /nfs/dbraw/zinc/17/73/93/1068177393.db2.gz ADEJQRGZSUWUIF-UHFFFAOYSA-N 0 0 452.292 4.604 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1Br ZINC001462823018 1068177484 /nfs/dbraw/zinc/17/74/84/1068177484.db2.gz CCIGWLLIXJUZDE-NSHDSACASA-N 0 0 452.292 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC001462824273 1068178101 /nfs/dbraw/zinc/17/81/01/1068178101.db2.gz LUUMDCRNPTUUEV-KGLIPLIRSA-N 0 0 454.461 4.919 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc21 ZINC001462824394 1068178108 /nfs/dbraw/zinc/17/81/08/1068178108.db2.gz NAMHHQBKFQJODH-SSOJOUAXSA-N 0 0 452.551 4.754 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)cs2)cc1 ZINC001462826934 1068179193 /nfs/dbraw/zinc/17/91/93/1068179193.db2.gz UEGHYWCGHKFJFO-SIKLNZKXSA-N 0 0 471.529 4.577 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001462827756 1068179607 /nfs/dbraw/zinc/17/96/07/1068179607.db2.gz STCFZMFOXYZYPV-OALUTQOASA-N 0 0 456.505 4.926 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC001462828543 1068180226 /nfs/dbraw/zinc/18/02/26/1068180226.db2.gz WBOKJWHDQZNDIV-GJZGRUSLSA-N 0 0 454.411 4.552 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001462829971 1068181453 /nfs/dbraw/zinc/18/14/53/1068181453.db2.gz IJXZAVXDPNXDFG-YWWLGCSWSA-N 0 0 464.587 4.622 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)s1 ZINC001462834086 1068183827 /nfs/dbraw/zinc/18/38/27/1068183827.db2.gz UNEMZTQXJMGECF-GOSISDBHSA-N 0 0 453.054 4.849 20 0 JJADRN CCC[C@H](C)CS(=O)(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001462836741 1068184384 /nfs/dbraw/zinc/18/43/84/1068184384.db2.gz LKJYTAABKGZTCR-LAUBAEHRSA-N 0 0 452.711 4.925 20 0 JJADRN O=S(=O)(NCc1cc2ccccc2o1)c1ccc(OC(F)(F)F)cc1Br ZINC001462836995 1068185075 /nfs/dbraw/zinc/18/50/75/1068185075.db2.gz IZVKSEBAZDXJEW-UHFFFAOYSA-N 0 0 450.232 4.572 20 0 JJADRN CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)C1(c3ccc(C(C)(C)C)cc3)CCCCC1)C2 ZINC001462838901 1068185167 /nfs/dbraw/zinc/18/51/67/1068185167.db2.gz IHKGWEGQKLGZLA-IBGZPJMESA-N 0 0 451.611 4.990 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCCC1(c2ccccc2)CC1 ZINC001462839988 1068186170 /nfs/dbraw/zinc/18/61/70/1068186170.db2.gz VVMJUMFTEAKTAT-NRFANRHFSA-N 0 0 452.599 4.615 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@]2(C)CCOC3(CCC3)C2)cc1OCC ZINC001462839718 1068186196 /nfs/dbraw/zinc/18/61/96/1068186196.db2.gz JNZHEKWBKHVMDV-OAQYLSRUSA-N 0 0 454.405 4.645 20 0 JJADRN CCc1cccc(CC)c1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001462840507 1068186346 /nfs/dbraw/zinc/18/63/46/1068186346.db2.gz JKJVRWSEXYEDBK-QHCPKHFHSA-N 0 0 454.661 4.951 20 0 JJADRN O=S(=O)(CCc1cccc(Cl)c1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001462841756 1068186844 /nfs/dbraw/zinc/18/68/44/1068186844.db2.gz BPCRNJAANFPBPT-JOCHJYFZSA-N 0 0 457.958 4.732 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)O2)[C@H]1C ZINC001462845200 1068187960 /nfs/dbraw/zinc/18/79/60/1068187960.db2.gz SUNNMVQQRVFMKX-DLNSCKLZSA-N 0 0 451.407 4.826 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)O2)[C@H]1C ZINC001462845203 1068187973 /nfs/dbraw/zinc/18/79/73/1068187973.db2.gz SUNNMVQQRVFMKX-PLCTYUKVSA-N 0 0 451.407 4.826 20 0 JJADRN CNc1nc(C)cc(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)n1 ZINC001462847446 1068188708 /nfs/dbraw/zinc/18/87/08/1068188708.db2.gz VNNSDXFSAJRKQL-UHFFFAOYSA-N 0 0 459.319 4.793 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC(Cc4cccc(F)c4)CC3)cc2c1C ZINC001462848599 1068189420 /nfs/dbraw/zinc/18/94/20/1068189420.db2.gz RXEADZZJFJPUIM-UHFFFAOYSA-N 0 0 459.539 4.700 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1Br ZINC001462847784 1068189436 /nfs/dbraw/zinc/18/94/36/1068189436.db2.gz LRMDNXWSHONWKP-UHFFFAOYSA-N 0 0 456.377 4.630 20 0 JJADRN CCc1c(C(=O)Nc2ccc(C(=O)OC)cc2CC)cnn1-c1ccc(Br)cc1 ZINC001462848839 1068189444 /nfs/dbraw/zinc/18/94/44/1068189444.db2.gz BLZBVZNLEGGISX-UHFFFAOYSA-N 0 0 456.340 4.799 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 ZINC001462853092 1068191000 /nfs/dbraw/zinc/19/10/00/1068191000.db2.gz HKHPGGKLRWFNOV-UHFFFAOYSA-N 0 0 450.965 4.893 20 0 JJADRN O=C(Oc1ccc2cnccc2c1)c1cccc(Br)c1I ZINC001462853206 1068191041 /nfs/dbraw/zinc/19/10/41/1068191041.db2.gz NWRVMEFRVZATKB-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccccc2OCc2ccccc2)c1 ZINC001462854231 1068191648 /nfs/dbraw/zinc/19/16/48/1068191648.db2.gz OZYJTLUNXZDHQT-UHFFFAOYSA-N 0 0 459.951 4.574 20 0 JJADRN CCn1cc(Cl)c(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)n1 ZINC001462853690 1068191658 /nfs/dbraw/zinc/19/16/58/1068191658.db2.gz MXFLISMTNQMYLV-UHFFFAOYSA-N 0 0 453.639 4.715 20 0 JJADRN COc1ccc(Oc2cc(CNS(=O)(=O)c3ccc4ccnc(Cl)c4c3)ccn2)cc1 ZINC001462855085 1068192345 /nfs/dbraw/zinc/19/23/45/1068192345.db2.gz TYKAHEBHWPCBMT-UHFFFAOYSA-N 0 0 455.923 4.563 20 0 JJADRN CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001462855357 1068192363 /nfs/dbraw/zinc/19/23/63/1068192363.db2.gz XFLUZMIIVYQUJH-GGAORHGYSA-N 0 0 479.042 4.975 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001462862488 1068194361 /nfs/dbraw/zinc/19/43/61/1068194361.db2.gz RWUCSEKVXNLZAA-INIZCTEOSA-N 0 0 453.178 4.606 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NC(C)(C)/C=C/Cl)n2-c2ccc(C)cc2)cc1 ZINC001462861935 1068194405 /nfs/dbraw/zinc/19/44/05/1068194405.db2.gz HHPWYWXXJVCRGY-BUHFOSPRSA-N 0 0 456.999 4.991 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546134654 1068194530 /nfs/dbraw/zinc/19/45/30/1068194530.db2.gz DJTYLYIILWCYNY-APWZRJJASA-N 0 0 458.839 4.684 20 0 JJADRN CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C1(C(F)(F)F)CC1 ZINC001462863082 1068195110 /nfs/dbraw/zinc/19/51/10/1068195110.db2.gz UGGVYXUZMWNQON-UHFFFAOYSA-N 0 0 450.461 4.719 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC001462862754 1068195165 /nfs/dbraw/zinc/19/51/65/1068195165.db2.gz VYKHMZZMHHMJEL-UHFFFAOYSA-N 0 0 454.434 4.666 20 0 JJADRN CCOc1cc(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1OC(F)F ZINC001462863007 1068195270 /nfs/dbraw/zinc/19/52/70/1068195270.db2.gz XJKALDVVGZABKB-UHFFFAOYSA-N 0 0 459.820 4.837 20 0 JJADRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cc(F)ccc1OC ZINC001462863876 1068195684 /nfs/dbraw/zinc/19/56/84/1068195684.db2.gz OCHCJTQWRLDNHM-QFIPXVFZSA-N 0 0 456.539 4.541 20 0 JJADRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC001462865390 1068195712 /nfs/dbraw/zinc/19/57/12/1068195712.db2.gz WUPCSQNMSYTXDA-LJQANCHMSA-N 0 0 455.045 4.632 20 0 JJADRN COC(=O)c1sccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001462865335 1068195750 /nfs/dbraw/zinc/19/57/50/1068195750.db2.gz MCWHUIVYAMKWSU-QGZVFWFLSA-N 0 0 456.372 4.909 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)CC2Cc3ccccc3C2)ccc1OCc1ccccc1 ZINC001462866608 1068196238 /nfs/dbraw/zinc/19/62/38/1068196238.db2.gz CUXJAXXHRDCEOT-IBGZPJMESA-N 0 0 451.588 4.670 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n(C)n1)S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001462865912 1068196296 /nfs/dbraw/zinc/19/62/96/1068196296.db2.gz QLGFAJCALULZOO-UHFFFAOYSA-N 0 0 454.983 4.542 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N=[S@@](C)(=O)c2ccccc2Br)CCCC1 ZINC001462871663 1068197918 /nfs/dbraw/zinc/19/79/18/1068197918.db2.gz MRCMXAFDENASHM-MHZLTWQESA-N 0 0 459.406 4.518 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)c(F)cc1Br ZINC001462870305 1068197937 /nfs/dbraw/zinc/19/79/37/1068197937.db2.gz NTHZJGFGBAMZGH-OAHLLOKOSA-N 0 0 458.393 4.983 20 0 JJADRN CCOc1cc(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)ccc1OCCOc1ccccc1 ZINC001462876321 1068199502 /nfs/dbraw/zinc/19/95/02/1068199502.db2.gz UNRNQDHQVDLTLQ-JGCGQSQUSA-N 0 0 457.523 4.979 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCc3cc(Br)ccc32)c(C)cc1Br ZINC001462875897 1068199539 /nfs/dbraw/zinc/19/95/39/1068199539.db2.gz HSKACIJMRYVSFO-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN O=C(Nc1cccc(CNS(=O)(=O)c2ccc(Cl)c3ccccc32)c1)c1ccccn1 ZINC001462876836 1068200243 /nfs/dbraw/zinc/20/02/43/1068200243.db2.gz RTZICIWOTLDHRE-UHFFFAOYSA-N 0 0 451.935 4.619 20 0 JJADRN C[S@@](=O)(=NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1cccc(Br)c1 ZINC001462878998 1068200573 /nfs/dbraw/zinc/20/05/73/1068200573.db2.gz DXUCQTLPWTYMEG-SANMLTNESA-N 0 0 453.358 4.938 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)Nc1cccc2c1CCN2C(=O)C(F)(F)F ZINC001462882777 1068202232 /nfs/dbraw/zinc/20/22/32/1068202232.db2.gz KLTBEZOAGMFGTO-UHFFFAOYSA-N 0 0 459.237 4.611 20 0 JJADRN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001462884288 1068202637 /nfs/dbraw/zinc/20/26/37/1068202637.db2.gz ACDMYCMEVXBSHH-UHFFFAOYSA-N 0 0 454.375 4.870 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1nc2c(s1)CCc1sccc1-2 ZINC001462884174 1068202728 /nfs/dbraw/zinc/20/27/28/1068202728.db2.gz ZHAYHGDFOLEJGS-UHFFFAOYSA-N 0 0 452.342 4.756 20 0 JJADRN Cc1cc(Br)ccc1CS(=O)(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001462887500 1068203859 /nfs/dbraw/zinc/20/38/59/1068203859.db2.gz NWOFXBXALQVNGJ-UHFFFAOYSA-N 0 0 459.409 4.727 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001462890182 1068204386 /nfs/dbraw/zinc/20/43/86/1068204386.db2.gz SGEWVDINDREEPM-UHFFFAOYSA-N 0 0 453.720 4.510 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001462889650 1068204426 /nfs/dbraw/zinc/20/44/26/1068204426.db2.gz LTGJRUMPQPEJPK-UHFFFAOYSA-N 0 0 458.946 4.671 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc(Cl)c2O1 ZINC001462888608 1068204485 /nfs/dbraw/zinc/20/44/85/1068204485.db2.gz UQGDZYZMOZSJNL-ZDUSSCGKSA-N 0 0 454.375 4.600 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccc(F)c3)CCCCC2)cc1Cl ZINC001462896248 1068207152 /nfs/dbraw/zinc/20/71/52/1068207152.db2.gz HPEFQCAKUABARG-UHFFFAOYSA-N 0 0 454.951 4.838 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1Br ZINC001462897351 1068207729 /nfs/dbraw/zinc/20/77/29/1068207729.db2.gz ITVHCNIEYJYPIL-GFCCVEGCSA-N 0 0 452.292 4.738 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](C)c3sc(-c4ccccc4)nc3C)cc2F)c1 ZINC001462899201 1068208334 /nfs/dbraw/zinc/20/83/34/1068208334.db2.gz HPLDTNFLLJDFJH-MRXNPFEDSA-N 0 0 456.568 4.791 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2ncccc2NCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135014 1068208676 /nfs/dbraw/zinc/20/86/76/1068208676.db2.gz LWIVGFCMCWHQOP-NZQKXSOJSA-N 0 0 458.965 4.567 20 0 JJADRN Cc1ccccc1C1(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc32)CCOCC1 ZINC001462902113 1068209196 /nfs/dbraw/zinc/20/91/96/1068209196.db2.gz KGZKRDOOIGFZJF-UHFFFAOYSA-N 0 0 453.604 4.962 20 0 JJADRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(I)c1 ZINC001462905604 1068210481 /nfs/dbraw/zinc/21/04/81/1068210481.db2.gz FUHWUORJTZXYOT-ZDUSSCGKSA-N 0 0 455.317 4.809 20 0 JJADRN CCOC(=O)c1oc(NC(=O)CCCOc2cccc(Cl)c2Cl)nc1C(F)(F)F ZINC001462905464 1068210558 /nfs/dbraw/zinc/21/05/58/1068210558.db2.gz KAXHUIWOGWJBSD-UHFFFAOYSA-N 0 0 455.216 4.975 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)c1scc(Br)c1Br)CCC2 ZINC001462908044 1068210974 /nfs/dbraw/zinc/21/09/74/1068210974.db2.gz OTFMGAILUHAXCQ-UHFFFAOYSA-N 0 0 459.159 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)CCCOc1cccc3ccccc31)CCC2 ZINC001462911211 1068212234 /nfs/dbraw/zinc/21/22/34/1068212234.db2.gz ICEIBBQEFMWDRY-UHFFFAOYSA-N 0 0 450.539 4.979 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1cc(Cl)cnc1N ZINC001462911870 1068212245 /nfs/dbraw/zinc/21/22/45/1068212245.db2.gz TXWIKLGMSDJEEJ-LJQANCHMSA-N 0 0 451.926 4.938 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001462912711 1068212580 /nfs/dbraw/zinc/21/25/80/1068212580.db2.gz YSBUSXRWHYNRKI-SFHVURJKSA-N 0 0 458.805 4.614 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001462912494 1068212670 /nfs/dbraw/zinc/21/26/70/1068212670.db2.gz WAZDHWDRSHTMMJ-QFIPXVFZSA-N 0 0 456.518 4.589 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC001462913563 1068213101 /nfs/dbraw/zinc/21/31/01/1068213101.db2.gz GSRAUDMLDSPDJG-UHFFFAOYSA-N 0 0 455.477 4.667 20 0 JJADRN CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC001462915466 1068213240 /nfs/dbraw/zinc/21/32/40/1068213240.db2.gz IGTMVCHAJBISBM-UHFFFAOYSA-N 0 0 452.292 4.789 20 0 JJADRN C[C@H](NC(=O)c1cccn1-c1cccc(I)c1)c1c(F)cccc1F ZINC001462916750 1068213630 /nfs/dbraw/zinc/21/36/30/1068213630.db2.gz OAZZCBWSPVXKJJ-LBPRGKRZSA-N 0 0 452.242 4.851 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462917559 1068213638 /nfs/dbraw/zinc/21/36/38/1068213638.db2.gz MYHPMPNVTABVHY-INIZCTEOSA-N 0 0 455.530 4.518 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462917562 1068213664 /nfs/dbraw/zinc/21/36/64/1068213664.db2.gz MYHPMPNVTABVHY-MRXNPFEDSA-N 0 0 455.530 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001462918080 1068213686 /nfs/dbraw/zinc/21/36/86/1068213686.db2.gz QTLATLHUACSHHR-ZDUSSCGKSA-N 0 0 453.436 4.583 20 0 JJADRN Cn1c2ccccc2nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001462918207 1068213831 /nfs/dbraw/zinc/21/38/31/1068213831.db2.gz YUMRMNDAPRGYON-AWEZNQCLSA-N 0 0 458.893 4.556 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3cc(Br)ccc3C3=NCCO3)cs2)cc1 ZINC001462918419 1068214246 /nfs/dbraw/zinc/21/42/46/1068214246.db2.gz HYUDDABPGKPJKK-UHFFFAOYSA-N 0 0 456.365 4.834 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(CCc1ccccc1)c1ccccc1 ZINC001462919110 1068214324 /nfs/dbraw/zinc/21/43/24/1068214324.db2.gz AISPIHHJHQFXKA-UHFFFAOYSA-N 0 0 458.967 4.745 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001462921837 1068215491 /nfs/dbraw/zinc/21/54/91/1068215491.db2.gz QZMQVAKCSZKYQC-BIENJYKASA-N 0 0 455.498 4.848 20 0 JJADRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001462923776 1068216051 /nfs/dbraw/zinc/21/60/51/1068216051.db2.gz AJHWXKHUHJZONG-AWEZNQCLSA-N 0 0 457.951 4.826 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 ZINC001462925449 1068216705 /nfs/dbraw/zinc/21/67/05/1068216705.db2.gz INPYDCZELHLUCE-UHFFFAOYSA-N 0 0 458.532 4.689 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC001462927088 1068217089 /nfs/dbraw/zinc/21/70/89/1068217089.db2.gz OMAGZSTVWGFXMG-HNNXBMFYSA-N 0 0 453.486 4.547 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c1 ZINC001462927368 1068217150 /nfs/dbraw/zinc/21/71/50/1068217150.db2.gz FHXCCIJMMFKUBM-RLGUWMIQSA-N 0 0 454.542 4.968 20 0 JJADRN CN1CCc2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(Br)cc3)cc21 ZINC001462929032 1068218226 /nfs/dbraw/zinc/21/82/26/1068218226.db2.gz KWJCOKHNQTVBAF-QFIPXVFZSA-N 0 0 457.393 4.509 20 0 JJADRN C[C@H]1Cc2cccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(Br)cc3)c2O1 ZINC001462930639 1068218763 /nfs/dbraw/zinc/21/87/63/1068218763.db2.gz SGCNYQMNBZQIQP-BTYIYWSLSA-N 0 0 458.377 4.840 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001462931455 1068219203 /nfs/dbraw/zinc/21/92/03/1068219203.db2.gz HLJVALIEPFEAKC-UHFFFAOYSA-N 0 0 458.246 4.744 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001462932189 1068219791 /nfs/dbraw/zinc/21/97/91/1068219791.db2.gz PSDNJWBDAKBAEP-BSLALVQMSA-N 0 0 454.533 4.717 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001462933783 1068220354 /nfs/dbraw/zinc/22/03/54/1068220354.db2.gz XABGYZNPYPNFDF-SFHVURJKSA-N 0 0 453.558 4.770 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)cc1OC ZINC001462935364 1068221543 /nfs/dbraw/zinc/22/15/43/1068221543.db2.gz KLYNBWNZTDTFRB-WIYYLYMNSA-N 0 0 453.551 4.507 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001462939887 1068222512 /nfs/dbraw/zinc/22/25/12/1068222512.db2.gz TVUPGSCHLVTACP-NSHDSACASA-N 0 0 452.292 4.858 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1(C)C)C[C@@H]1CCCO1 ZINC001462944532 1068223284 /nfs/dbraw/zinc/22/32/84/1068223284.db2.gz LFRLTJNJXWNVGX-VQTJNVASSA-N 0 0 451.007 4.851 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c2ncccc12 ZINC001462943790 1068223320 /nfs/dbraw/zinc/22/33/20/1068223320.db2.gz KDJXPIGZAWVXGI-NRFANRHFSA-N 0 0 454.498 4.784 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001462945339 1068224044 /nfs/dbraw/zinc/22/40/44/1068224044.db2.gz BNAKTACLTRYUIZ-SGTLLEGYSA-N 0 0 457.468 4.504 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2(C)C)cc1 ZINC001462947527 1068225050 /nfs/dbraw/zinc/22/50/50/1068225050.db2.gz ROFRUCWSLVNXFK-FQEVSTJZSA-N 0 0 456.999 4.816 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1cc(Oc3cccc(Br)c3)ccn1)[C@H]2C ZINC001462950140 1068226231 /nfs/dbraw/zinc/22/62/31/1068226231.db2.gz IPEZPMRZLHTBFR-AWEZNQCLSA-N 0 0 456.344 4.568 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ncc(Cc3ccccc3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135355 1068227513 /nfs/dbraw/zinc/22/75/13/1068227513.db2.gz UUPYGBHFDWPASU-IRLDBZIGSA-N 0 0 455.917 4.538 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)Oc2cc(Br)c(C=O)cc2OC)cc1 ZINC001462954055 1068228230 /nfs/dbraw/zinc/22/82/30/1068228230.db2.gz IIQNVIVUZCARGE-UHFFFAOYSA-N 0 0 457.342 4.607 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)c1F ZINC001462957084 1068229773 /nfs/dbraw/zinc/22/97/73/1068229773.db2.gz XEOAXXKROMXTQN-UHFFFAOYSA-N 0 0 453.900 4.580 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001462960645 1068230315 /nfs/dbraw/zinc/23/03/15/1068230315.db2.gz VRHUVBDTMBLOHK-MRXNPFEDSA-N 0 0 451.169 4.518 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1nccc2ccsc21)c1ccc(Br)c(Cl)c1 ZINC001462963372 1068230881 /nfs/dbraw/zinc/23/08/81/1068230881.db2.gz KORACEBNMFLSSL-AWEZNQCLSA-N 0 0 453.745 4.746 20 0 JJADRN O=C(Nc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1)c1ccco1 ZINC001462964901 1068231369 /nfs/dbraw/zinc/23/13/69/1068231369.db2.gz GKAOYBJATNNVHF-UHFFFAOYSA-N 0 0 458.845 4.683 20 0 JJADRN O=S(=O)(c1c(F)cc(Br)cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001462965622 1068231695 /nfs/dbraw/zinc/23/16/95/1068231695.db2.gz JIPJKOOMAJBVFC-UHFFFAOYSA-N 0 0 455.324 4.777 20 0 JJADRN O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001462968173 1068232703 /nfs/dbraw/zinc/23/27/03/1068232703.db2.gz SQXHBSXLJSDWOO-UHFFFAOYSA-N 0 0 455.324 4.777 20 0 JJADRN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)c1ccco1 ZINC001462968732 1068232857 /nfs/dbraw/zinc/23/28/57/1068232857.db2.gz QDVDXHWQOSEAPR-UHFFFAOYSA-N 0 0 458.845 4.683 20 0 JJADRN O=C(Nc1ccc(-c2ccon2)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001462970362 1068233482 /nfs/dbraw/zinc/23/34/82/1068233482.db2.gz FKHMSLBXTRJZRE-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc21 ZINC001462971821 1068233966 /nfs/dbraw/zinc/23/39/66/1068233966.db2.gz DOLPKWZZYGWDPF-IAGOWNOFSA-N 0 0 458.505 4.735 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462974209 1068234504 /nfs/dbraw/zinc/23/45/04/1068234504.db2.gz OSYYOIBSMQSKKD-GAJHUEQPSA-N 0 0 452.917 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)/C=C\c2ccsc2)c2ccccc21 ZINC001462975891 1068234955 /nfs/dbraw/zinc/23/49/55/1068234955.db2.gz IUWHGCAYCFECLM-IQHLRMOPSA-N 0 0 454.592 4.918 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@@H]1c1ccccc1OC ZINC001462976366 1068235077 /nfs/dbraw/zinc/23/50/77/1068235077.db2.gz NKCASIKHWJDEOH-LVXARBLLSA-N 0 0 458.562 4.871 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001462975382 1068235092 /nfs/dbraw/zinc/23/50/92/1068235092.db2.gz KXADIFIJSAFXPH-XHCCPWGMSA-N 0 0 450.579 4.847 20 0 JJADRN CN1c2cc(NC(=O)c3cc(Cl)c(Br)cc3F)ccc2OCC(C)(C)C1=O ZINC001462974830 1068235165 /nfs/dbraw/zinc/23/51/65/1068235165.db2.gz HKEIHVZWZCAJPR-UHFFFAOYSA-N 0 0 455.711 4.875 20 0 JJADRN CN(C)c1cc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc(C(F)(F)F)c1 ZINC001462976847 1068235645 /nfs/dbraw/zinc/23/56/45/1068235645.db2.gz LTQWYBFQMIXTLT-LJQANCHMSA-N 0 0 455.889 4.992 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(Br)c1 ZINC001462976757 1068235769 /nfs/dbraw/zinc/23/57/69/1068235769.db2.gz BUVMSHTUTPLBON-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN Cc1cc(F)cc(C(=O)N2C[C@@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001462977447 1068236301 /nfs/dbraw/zinc/23/63/01/1068236301.db2.gz PAXWDFFEBPXZIG-CTNGQTDRSA-N 0 0 454.542 4.904 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc(C(F)(F)F)c1 ZINC001462977823 1068236308 /nfs/dbraw/zinc/23/63/08/1068236308.db2.gz NPAFTAKIBRRZGC-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)c2ccnc(Cl)c2)c2ccccc21 ZINC001462977253 1068236413 /nfs/dbraw/zinc/23/64/13/1068236413.db2.gz OAEMZSMTUNZIIB-QZTJIDSGSA-N 0 0 457.958 4.505 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC001462979234 1068236842 /nfs/dbraw/zinc/23/68/42/1068236842.db2.gz JESHXGLEGBWBCQ-QHCPKHFHSA-N 0 0 456.514 4.563 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)C[C@H](C)CC(F)(F)F)cc1 ZINC001462978888 1068236895 /nfs/dbraw/zinc/23/68/95/1068236895.db2.gz HWBUNHTZIVKBGM-UZLBHIALSA-N 0 0 454.514 4.673 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)C[C@H](C)CC(F)(F)F)cc1 ZINC001462978869 1068236913 /nfs/dbraw/zinc/23/69/13/1068236913.db2.gz HWBUNHTZIVKBGM-OXQOHEQNSA-N 0 0 454.514 4.673 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001462979870 1068237457 /nfs/dbraw/zinc/23/74/57/1068237457.db2.gz RJSCAVKUSVKKQP-UXHICEINSA-N 0 0 454.542 4.904 20 0 JJADRN CCn1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC001462980707 1068237493 /nfs/dbraw/zinc/23/74/93/1068237493.db2.gz GRSLSBUGARHZJO-FQEVSTJZSA-N 0 0 459.591 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)c2cccnc2Cl)c2ccccc21 ZINC001462981367 1068238072 /nfs/dbraw/zinc/23/80/72/1068238072.db2.gz VLOBBLDPPSSFMB-IAGOWNOFSA-N 0 0 457.958 4.505 20 0 JJADRN CC(C)Cc1ccc([C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001462984312 1068239261 /nfs/dbraw/zinc/23/92/61/1068239261.db2.gz AGXFKGZCEPSLTH-FGZHOGPDSA-N 0 0 450.645 4.655 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1OC ZINC001462988219 1068241137 /nfs/dbraw/zinc/24/11/37/1068241137.db2.gz APGIARLCKQRLRL-GOSISDBHSA-N 0 0 455.979 4.813 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001462988566 1068241683 /nfs/dbraw/zinc/24/16/83/1068241683.db2.gz FFZMSYKQCMGMHZ-SJLPKXTDSA-N 0 0 459.543 4.621 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001462988762 1068241700 /nfs/dbraw/zinc/24/17/00/1068241700.db2.gz UDXZLENYKQJHBZ-UHFFFAOYSA-N 0 0 456.365 4.881 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001462991671 1068242160 /nfs/dbraw/zinc/24/21/60/1068242160.db2.gz ABIYMCLNIIGOFW-UHFFFAOYSA-N 0 0 453.560 4.816 20 0 JJADRN CC(C)COC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccco1 ZINC001462994010 1068242701 /nfs/dbraw/zinc/24/27/01/1068242701.db2.gz WJRANLHRRHPBBF-MRXNPFEDSA-N 0 0 450.782 4.529 20 0 JJADRN CCC1(Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CCOCC1 ZINC001546135708 1068243259 /nfs/dbraw/zinc/24/32/59/1068243259.db2.gz DBYAAPGGTXCSLS-LJQANCHMSA-N 0 0 465.564 4.533 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCCC1 ZINC001546135754 1068243915 /nfs/dbraw/zinc/24/39/15/1068243915.db2.gz FGAPMVHKGYOBSP-LJQANCHMSA-N 0 0 494.105 4.677 20 0 JJADRN Cc1csc(C[C@H]2CCN(C(=O)c3ccc(-n4nc(C)c(Br)c4C)cc3)C2)n1 ZINC001462997694 1068243928 /nfs/dbraw/zinc/24/39/28/1068243928.db2.gz KUVJVNQTNYQUMA-MRXNPFEDSA-N 0 0 459.413 4.721 20 0 JJADRN CCCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC001462998303 1068243953 /nfs/dbraw/zinc/24/39/53/1068243953.db2.gz LOYRIIRYIZMADB-UHFFFAOYSA-N 0 0 450.988 4.688 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccccc2Oc2ccccn2)cc1Br ZINC001463000980 1068245032 /nfs/dbraw/zinc/24/50/32/1068245032.db2.gz DWRILKBJYDJJHD-UHFFFAOYSA-N 0 0 450.310 4.803 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1 ZINC001463002240 1068245712 /nfs/dbraw/zinc/24/57/12/1068245712.db2.gz TWIUGAAWADLLIT-UHFFFAOYSA-N 0 0 450.343 4.926 20 0 JJADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463005393 1068246848 /nfs/dbraw/zinc/24/68/48/1068246848.db2.gz AGSULMMUQGQCGU-NSHDSACASA-N 0 0 459.233 4.613 20 0 JJADRN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1c(Cl)cc(Br)cc1Cl ZINC001463005744 1068247379 /nfs/dbraw/zinc/24/73/79/1068247379.db2.gz AYHRIUPFWJNCLD-CYBMUJFWSA-N 0 0 451.188 4.738 20 0 JJADRN COC(=O)c1cc2cccnc2c(NC(=O)c2nc(C(C)C)ncc2OCc2ccccc2)c1 ZINC001463005576 1068247479 /nfs/dbraw/zinc/24/74/79/1068247479.db2.gz CTOQSPHVTRXRCV-UHFFFAOYSA-N 0 0 456.502 4.766 20 0 JJADRN O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCO[C@H](c2ccccc2F)C1 ZINC001463008310 1068248608 /nfs/dbraw/zinc/24/86/08/1068248608.db2.gz VQZWMQHRMGPONH-FQEVSTJZSA-N 0 0 450.329 4.504 20 0 JJADRN COC(=O)c1ccc(CS(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC001463008347 1068248683 /nfs/dbraw/zinc/24/86/83/1068248683.db2.gz VXEQPHBXJFHHLK-JOCHJYFZSA-N 0 0 450.000 4.738 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC2(CCCC2)c2c1cccc2F ZINC001463008581 1068248707 /nfs/dbraw/zinc/24/87/07/1068248707.db2.gz LPPKFMQZGFAJDD-UHFFFAOYSA-N 0 0 453.963 4.915 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cc1Cl ZINC001463009513 1068249220 /nfs/dbraw/zinc/24/92/20/1068249220.db2.gz NOSUVNDBRRYQNK-UHFFFAOYSA-N 0 0 451.894 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1C(F)(F)F ZINC001463010106 1068249753 /nfs/dbraw/zinc/24/97/53/1068249753.db2.gz WHQOZXYLDLYDNB-WMLDXEAASA-N 0 0 458.521 4.981 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC001463012086 1068250984 /nfs/dbraw/zinc/25/09/84/1068250984.db2.gz XHHFWAKXVNFIEO-OAHLLOKOSA-N 0 0 457.821 4.524 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001463013489 1068251582 /nfs/dbraw/zinc/25/15/82/1068251582.db2.gz UJVNBLIXQPEABN-ZDUSSCGKSA-N 0 0 456.167 4.534 20 0 JJADRN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001463014994 1068252187 /nfs/dbraw/zinc/25/21/87/1068252187.db2.gz LNYYWUGLOXPRGG-UHFFFAOYSA-N 0 0 455.183 4.950 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC001463016568 1068252483 /nfs/dbraw/zinc/25/24/83/1068252483.db2.gz KCYWUIWGRKWIIG-SJORKVTESA-N 0 0 451.430 4.767 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC001463016558 1068252506 /nfs/dbraw/zinc/25/25/06/1068252506.db2.gz KCYWUIWGRKWIIG-IAGOWNOFSA-N 0 0 451.430 4.767 20 0 JJADRN Cn1c2ccccc2nc1-c1cccc(OS(=O)(=O)Cc2cccc(Br)c2)c1 ZINC001463016429 1068252568 /nfs/dbraw/zinc/25/25/68/1068252568.db2.gz JMDVKXZRLUCCKW-UHFFFAOYSA-N 0 0 457.349 4.912 20 0 JJADRN Cc1ccc(F)c(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC001463016362 1068252606 /nfs/dbraw/zinc/25/26/06/1068252606.db2.gz KVOYMUYOTBGKQR-UHFFFAOYSA-N 0 0 457.502 4.664 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC001463016552 1068252653 /nfs/dbraw/zinc/25/26/53/1068252653.db2.gz KCYWUIWGRKWIIG-DLBZAZTESA-N 0 0 451.430 4.767 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OS(=O)(=O)c3ccc4nc(Cl)cnc4c3)c2)cc1 ZINC001463016476 1068252716 /nfs/dbraw/zinc/25/27/16/1068252716.db2.gz NFLGVKQEWGHGJP-UHFFFAOYSA-N 0 0 453.907 4.612 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1cccnc1N1CCCCC1 ZINC001463017557 1068253152 /nfs/dbraw/zinc/25/31/52/1068253152.db2.gz HICAXRNREFGOOC-UHFFFAOYSA-N 0 0 453.178 4.527 20 0 JJADRN O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(Br)c(Br)c1 ZINC001463017371 1068253206 /nfs/dbraw/zinc/25/32/06/1068253206.db2.gz GRDAQMVEWFFIPB-UHFFFAOYSA-N 0 0 453.174 4.786 20 0 JJADRN CCC(=O)N1CCc2ccc(NC(=O)CCc3ccc(OCC(F)(F)F)c(OC)c3)cc21 ZINC001463017534 1068253317 /nfs/dbraw/zinc/25/33/17/1068253317.db2.gz HDNQYODJLRMWIC-UHFFFAOYSA-N 0 0 450.457 4.507 20 0 JJADRN CC(=O)c1ccc(OS(=O)(=O)c2scc(Br)c2Br)c(C)c1 ZINC001463019587 1068253705 /nfs/dbraw/zinc/25/37/05/1068253705.db2.gz QQVYGNYAWGRZLM-UHFFFAOYSA-N 0 0 454.161 4.552 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C ZINC001463018615 1068254038 /nfs/dbraw/zinc/25/40/38/1068254038.db2.gz QSTNRXLOGCWNMW-UHFFFAOYSA-N 0 0 453.539 4.834 20 0 JJADRN COc1ccc(CN(C)S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)cc1C ZINC001463021847 1068254573 /nfs/dbraw/zinc/25/45/73/1068254573.db2.gz LVQRLIUWZKHKPY-UHFFFAOYSA-N 0 0 456.511 4.967 20 0 JJADRN O=S(=O)(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001463020086 1068254644 /nfs/dbraw/zinc/25/46/44/1068254644.db2.gz ZFWJYRBVSNSZPO-UHFFFAOYSA-N 0 0 451.375 4.682 20 0 JJADRN C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001463020687 1068254675 /nfs/dbraw/zinc/25/46/75/1068254675.db2.gz KYLGUVLKEDTUFO-LBPRGKRZSA-N 0 0 458.305 4.903 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)nn1C1CCCCC1 ZINC001463020596 1068254788 /nfs/dbraw/zinc/25/47/88/1068254788.db2.gz JJNXDVSFCKZKSG-UHFFFAOYSA-N 0 0 450.505 4.800 20 0 JJADRN CCc1c(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC001463023299 1068255089 /nfs/dbraw/zinc/25/50/89/1068255089.db2.gz PQQFESDDUKDWQN-UHFFFAOYSA-N 0 0 458.484 4.538 20 0 JJADRN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463022906 1068255099 /nfs/dbraw/zinc/25/50/99/1068255099.db2.gz PLGSLJGEDXDRBY-CABCVRRESA-N 0 0 454.151 4.636 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001463023703 1068255783 /nfs/dbraw/zinc/25/57/83/1068255783.db2.gz FQXBBHAQFDCGQP-MJGOQNOKSA-N 0 0 452.414 4.928 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001546135948 1068256408 /nfs/dbraw/zinc/25/64/08/1068256408.db2.gz KYYYUWPQSDPMPE-QGZVFWFLSA-N 0 0 474.447 4.591 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C(F)(F)F)n(C)n2)c1 ZINC001463029289 1068256974 /nfs/dbraw/zinc/25/69/74/1068256974.db2.gz APYRMYHBCOAEBF-UHFFFAOYSA-N 0 0 455.440 4.612 20 0 JJADRN CCN(CCNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OC(C)(C)C ZINC001463034016 1068258202 /nfs/dbraw/zinc/25/82/02/1068258202.db2.gz JDJBRPYSPIHVJR-UHFFFAOYSA-N 0 0 454.976 4.668 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001463036620 1068258679 /nfs/dbraw/zinc/25/86/79/1068258679.db2.gz YYHQBCVCOZJGJF-UHFFFAOYSA-N 0 0 459.337 4.720 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001463035657 1068258817 /nfs/dbraw/zinc/25/88/17/1068258817.db2.gz BDIMPGUHQWFIMC-FQEVSTJZSA-N 0 0 459.033 4.835 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001463036964 1068259503 /nfs/dbraw/zinc/25/95/03/1068259503.db2.gz CETQNNULILIFQN-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1S(=O)(=O)Cc1c(Br)cccc1OC ZINC001463036814 1068259596 /nfs/dbraw/zinc/25/95/96/1068259596.db2.gz QTZRGIXHGGADSG-SFHVURJKSA-N 0 0 454.386 4.523 20 0 JJADRN CCN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC001463038794 1068260021 /nfs/dbraw/zinc/26/00/21/1068260021.db2.gz HPUYJTZBJONPMI-QHCPKHFHSA-N 0 0 459.514 4.860 20 0 JJADRN CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001463041474 1068261097 /nfs/dbraw/zinc/26/10/97/1068261097.db2.gz LDQADLCDXPECGC-QHCPKHFHSA-N 0 0 457.983 4.518 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cc(C)ccc2Br)cc1OC1CCCC1 ZINC001463042668 1068261628 /nfs/dbraw/zinc/26/16/28/1068261628.db2.gz MQKPPLXDSGNURY-UHFFFAOYSA-N 0 0 454.386 4.566 20 0 JJADRN Cc1cc(NC(=O)c2cc3sc(Br)cc3s2)ccc1S(=O)(=O)N(C)C ZINC001463042511 1068261697 /nfs/dbraw/zinc/26/16/97/1068261697.db2.gz UBPHJGWGRASZQJ-UHFFFAOYSA-N 0 0 459.412 4.536 20 0 JJADRN CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC001463042500 1068261827 /nfs/dbraw/zinc/26/18/27/1068261827.db2.gz LKLFKKJEPQHKBV-HXUWFJFHSA-N 0 0 459.980 4.851 20 0 JJADRN CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC001463042497 1068261909 /nfs/dbraw/zinc/26/19/09/1068261909.db2.gz LKLFKKJEPQHKBV-FQEVSTJZSA-N 0 0 459.980 4.851 20 0 JJADRN COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)C1 ZINC001463043042 1068262583 /nfs/dbraw/zinc/26/25/83/1068262583.db2.gz XPBFPJWGTODKOI-MRXNPFEDSA-N 0 0 453.489 4.575 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(OCC(F)F)cc1 ZINC001463045281 1068263004 /nfs/dbraw/zinc/26/30/04/1068263004.db2.gz CRRSTRXMVHEDKW-DEOSSOPVSA-N 0 0 459.514 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C1 ZINC001463052055 1068266250 /nfs/dbraw/zinc/26/62/50/1068266250.db2.gz WNYRDYQBTBAWPL-CQGGRAHPSA-N 0 0 454.898 4.513 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001463055768 1068268714 /nfs/dbraw/zinc/26/87/14/1068268714.db2.gz LYBGTVFVZLCARP-FQEVSTJZSA-N 0 0 451.430 4.524 20 0 JJADRN CC(NS(=O)(=O)c1c(F)cc(Br)cc1F)(c1ccccc1)c1ccccc1 ZINC001463061249 1068271144 /nfs/dbraw/zinc/27/11/44/1068271144.db2.gz SDWZKSBZGSQKQY-UHFFFAOYSA-N 0 0 452.320 4.969 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC001463065531 1068273269 /nfs/dbraw/zinc/27/32/69/1068273269.db2.gz ODLLZPYRECKGLX-UGSOOPFHSA-N 0 0 452.320 4.555 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC001463065528 1068273492 /nfs/dbraw/zinc/27/34/92/1068273492.db2.gz ODLLZPYRECKGLX-ACJLOTCBSA-N 0 0 452.320 4.555 20 0 JJADRN CCCN(C)S(=O)(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 ZINC001463065731 1068273977 /nfs/dbraw/zinc/27/39/77/1068273977.db2.gz QRWQJGBTAFWPTD-UHFFFAOYSA-N 0 0 453.402 4.792 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1Cl ZINC001463065655 1068274070 /nfs/dbraw/zinc/27/40/70/1068274070.db2.gz IOIMTMNHBLLUJO-IBGZPJMESA-N 0 0 455.338 4.912 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C ZINC001463066815 1068274587 /nfs/dbraw/zinc/27/45/87/1068274587.db2.gz PTVXRZURYOZCNP-TZIWHRDSSA-N 0 0 459.384 4.607 20 0 JJADRN O=S(=O)(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cscc1C(F)F ZINC001463067250 1068274677 /nfs/dbraw/zinc/27/46/77/1068274677.db2.gz LZQGUYDQYYUKDG-UHFFFAOYSA-N 0 0 455.379 4.935 20 0 JJADRN CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC001463066977 1068274727 /nfs/dbraw/zinc/27/47/27/1068274727.db2.gz LFOMDZYJSSQENF-LJQANCHMSA-N 0 0 454.386 4.610 20 0 JJADRN CC(C)c1ccc(C2(CNS(=O)(=O)Cc3ncsc3Br)CCCC2)cc1 ZINC001463069366 1068275497 /nfs/dbraw/zinc/27/54/97/1068275497.db2.gz CBWOSDMJYDIPKD-UHFFFAOYSA-N 0 0 457.459 4.960 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001463070175 1068276134 /nfs/dbraw/zinc/27/61/34/1068276134.db2.gz WHBRXLZMYZDGJY-JTSKRJEESA-N 0 0 451.405 4.596 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463072976 1068277282 /nfs/dbraw/zinc/27/72/82/1068277282.db2.gz GSEFNNDSZGSRDI-QFBILLFUSA-N 0 0 458.407 4.708 20 0 JJADRN COC(=O)[C@H](CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)Cc1cccc2ccccc21 ZINC001463072931 1068277348 /nfs/dbraw/zinc/27/73/48/1068277348.db2.gz GJEOCQOFKUBWLD-QHCPKHFHSA-N 0 0 453.604 4.692 20 0 JJADRN CCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001463073300 1068277782 /nfs/dbraw/zinc/27/77/82/1068277782.db2.gz ISXGUDJGMZLGMF-QYSRSOONSA-N 0 0 452.495 4.629 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1OCC ZINC001463074047 1068277819 /nfs/dbraw/zinc/27/78/19/1068277819.db2.gz QJTLOFQTLNGHOA-GOSISDBHSA-N 0 0 454.995 4.903 20 0 JJADRN COC[C@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC001463079798 1068280628 /nfs/dbraw/zinc/28/06/28/1068280628.db2.gz ZVKDLDBMFRIVOP-AWEZNQCLSA-N 0 0 458.285 4.687 20 0 JJADRN Cc1c(C(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)nnn1-c1ccccc1Br ZINC001463080672 1068280651 /nfs/dbraw/zinc/28/06/51/1068280651.db2.gz NFUDLDFIFYRMPE-SFHVURJKSA-N 0 0 453.384 4.994 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC001463081364 1068280746 /nfs/dbraw/zinc/28/07/46/1068280746.db2.gz UXJGMZAKLVWGMT-NRFANRHFSA-N 0 0 451.569 4.950 20 0 JJADRN O=S(=O)(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Cl)c2ccccc21 ZINC001463080207 1068280778 /nfs/dbraw/zinc/28/07/78/1068280778.db2.gz YUZYNJXUZDJFMI-AWEZNQCLSA-N 0 0 452.910 4.652 20 0 JJADRN COc1cc(F)c([C@@H](C)NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)cc1OC ZINC001463080772 1068280792 /nfs/dbraw/zinc/28/07/92/1068280792.db2.gz QLIJCRJZCQQKMV-GFCCVEGCSA-N 0 0 452.573 4.790 20 0 JJADRN Cc1noc(C[C@H]2CCCN(C(=O)c3csc(Cc4cccc(C(F)(F)F)c4)n3)C2)n1 ZINC001463086431 1068282622 /nfs/dbraw/zinc/28/26/22/1068282622.db2.gz LOFKHQAKXIPOQM-OAHLLOKOSA-N 0 0 450.486 4.539 20 0 JJADRN C[C@H](CC(N)=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC001463087541 1068282901 /nfs/dbraw/zinc/28/29/01/1068282901.db2.gz PXJCHPAIDQIVAZ-CYBMUJFWSA-N 0 0 458.381 4.733 20 0 JJADRN CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccc(Cl)cc1Cl ZINC001463086570 1068283037 /nfs/dbraw/zinc/28/30/37/1068283037.db2.gz PJHUBMLDNSWDPP-MRXNPFEDSA-N 0 0 455.407 4.671 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)c3cc(Br)ccc3F)cc2)cc1 ZINC001463093068 1068284141 /nfs/dbraw/zinc/28/41/41/1068284141.db2.gz LBXNMWKVGLVYFC-UHFFFAOYSA-N 0 0 450.329 4.742 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC001463095028 1068284642 /nfs/dbraw/zinc/28/46/42/1068284642.db2.gz QQTOSXOJCHSNIS-JKSBSHDWSA-N 0 0 457.412 4.668 20 0 JJADRN Cc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccccc3)ccc2c1 ZINC001463095890 1068285335 /nfs/dbraw/zinc/28/53/35/1068285335.db2.gz JWHMRTNYRUBESC-SANMLTNESA-N 0 0 458.583 4.701 20 0 JJADRN Cc1ccccc1[C@H](CC(C)C)NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463098088 1068286081 /nfs/dbraw/zinc/28/60/81/1068286081.db2.gz MMXJMWZKHWNMAF-VWNXMTODSA-N 0 0 458.624 4.803 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)S(=O)(=O)c2cccc3c2OCC3)cc1C ZINC001463100096 1068286630 /nfs/dbraw/zinc/28/66/30/1068286630.db2.gz VMBZYVMHAWPUGH-UHFFFAOYSA-N 0 0 451.588 4.946 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(Br)sc1Cl ZINC001463099881 1068286830 /nfs/dbraw/zinc/28/68/30/1068286830.db2.gz WKCFODYLGAXMGX-HNNXBMFYSA-N 0 0 450.807 4.610 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)S(=O)(=O)C[C@H]2CC3(CCC3)CO2)cc1C ZINC001463101284 1068288132 /nfs/dbraw/zinc/28/81/32/1068288132.db2.gz ZXVUBLKPZRGGPN-XMMPIXPASA-N 0 0 457.636 4.912 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC3)c2)cn1 ZINC001463101663 1068288209 /nfs/dbraw/zinc/28/82/09/1068288209.db2.gz ZIWJICXMXOHQDH-UHFFFAOYSA-N 0 0 458.578 4.629 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001463101369 1068288225 /nfs/dbraw/zinc/28/82/25/1068288225.db2.gz RUFLYFFCIYQURA-GOSISDBHSA-N 0 0 456.530 4.832 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NS(=O)(=O)c1ncccc1Br ZINC001463103276 1068288699 /nfs/dbraw/zinc/28/86/99/1068288699.db2.gz AMCQXVUJPFPLJL-ZDUSSCGKSA-N 0 0 452.399 4.624 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001463103304 1068288743 /nfs/dbraw/zinc/28/87/43/1068288743.db2.gz WRAPCOJVAZFQHB-NSHDSACASA-N 0 0 450.757 4.502 20 0 JJADRN CCc1noc2ncc(S(=O)(=O)N[C@@H](c3cccc(OC)c3)c3ccccc3Cl)cc12 ZINC001463107971 1068289946 /nfs/dbraw/zinc/28/99/46/1068289946.db2.gz CRLCGFOLCFRBAW-NRFANRHFSA-N 0 0 457.939 4.515 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001463109565 1068290185 /nfs/dbraw/zinc/29/01/85/1068290185.db2.gz POLHNQWSMVJNOL-DFXYEROKSA-N 0 0 459.008 4.520 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(CCc3cccc(F)c3)C3CC3)cc2)cc1 ZINC001463111069 1068291118 /nfs/dbraw/zinc/29/11/18/1068291118.db2.gz JDVQAAQWGWCHHO-UHFFFAOYSA-N 0 0 452.551 4.847 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001463117615 1068293376 /nfs/dbraw/zinc/29/33/76/1068293376.db2.gz GAGZSZRHIGNPFY-UHFFFAOYSA-N 0 0 459.450 4.913 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001463121641 1068294423 /nfs/dbraw/zinc/29/44/23/1068294423.db2.gz NEVKPOZFUFEOIM-IFUNHVJGSA-N 0 0 452.620 4.958 20 0 JJADRN CCn1nc(C)c(S(=O)(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1C ZINC001463124622 1068295533 /nfs/dbraw/zinc/29/55/33/1068295533.db2.gz AIGBERYWOOOBPF-UHFFFAOYSA-N 0 0 454.474 4.551 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001463123167 1068295602 /nfs/dbraw/zinc/29/56/02/1068295602.db2.gz HEWAPEBAABJEPH-QILLFSRXSA-N 0 0 457.942 4.855 20 0 JJADRN COC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1C ZINC001463129657 1068297190 /nfs/dbraw/zinc/29/71/90/1068297190.db2.gz BVCRJUGVRNONIJ-KRWDZBQOSA-N 0 0 458.605 4.904 20 0 JJADRN O=S(=O)(NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cccc(Cl)c1 ZINC001463128065 1068296845 /nfs/dbraw/zinc/29/68/45/1068296845.db2.gz PGZOABJZECRCCV-UHFFFAOYSA-N 0 0 457.979 4.903 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC001463128990 1068296851 /nfs/dbraw/zinc/29/68/51/1068296851.db2.gz BGOPZQZBCNCXIY-UHFFFAOYSA-N 0 0 450.670 4.890 20 0 JJADRN CC[C@@H](CNS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)Cc1cccc(Br)c1 ZINC001463132752 1068297790 /nfs/dbraw/zinc/29/77/90/1068297790.db2.gz WCFPGPPYSKCLBI-OAHLLOKOSA-N 0 0 452.414 4.710 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)S2)c1ccc(Br)cc1 ZINC001463131615 1068297813 /nfs/dbraw/zinc/29/78/13/1068297813.db2.gz IPGFMLNCXWFCLR-HMQMGEFJSA-N 0 0 455.418 4.558 20 0 JJADRN Cc1ccccc1Oc1cccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 ZINC001463133715 1068298500 /nfs/dbraw/zinc/29/85/00/1068298500.db2.gz KDSHTAOKGJWDMI-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463137603 1068299566 /nfs/dbraw/zinc/29/95/66/1068299566.db2.gz USEHIMHNWPFKTH-LLVKDONJSA-N 0 0 456.255 4.618 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)s1 ZINC001463141505 1068300597 /nfs/dbraw/zinc/30/05/97/1068300597.db2.gz CNPMBNXANCPQIW-QGZVFWFLSA-N 0 0 458.443 4.540 20 0 JJADRN Nc1ncc(Cl)cc1S(=O)(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001463141139 1068300837 /nfs/dbraw/zinc/30/08/37/1068300837.db2.gz ZPCUIUKCBKJSCD-UHFFFAOYSA-N 0 0 458.754 4.895 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC001463143473 1068301132 /nfs/dbraw/zinc/30/11/32/1068301132.db2.gz LZYGSHQYVMQPCS-AWEZNQCLSA-N 0 0 458.805 4.755 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@]3(C)CCCCO3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001463142354 1068301296 /nfs/dbraw/zinc/30/12/96/1068301296.db2.gz FADZGWKXYAGKLF-DFZDUAMZSA-N 0 0 450.579 4.563 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001463145100 1068301617 /nfs/dbraw/zinc/30/16/17/1068301617.db2.gz YOQOWGJTSNODBN-KNQAVFIVSA-N 0 0 459.327 4.585 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)N1CCc2cc(Br)c(F)cc2C1 ZINC001463148431 1068303384 /nfs/dbraw/zinc/30/33/84/1068303384.db2.gz HPJQQKKQMLEWNB-UHFFFAOYSA-N 0 0 455.327 4.690 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c(CC)c1 ZINC001463150037 1068304417 /nfs/dbraw/zinc/30/44/17/1068304417.db2.gz UJLJJBWJJBYGIP-UHFFFAOYSA-N 0 0 455.523 4.525 20 0 JJADRN CCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC001463152212 1068304818 /nfs/dbraw/zinc/30/48/18/1068304818.db2.gz CECBXVOHTWFYGV-OAHLLOKOSA-N 0 0 454.386 4.788 20 0 JJADRN CC[C@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)C(C)(C)c1ccccc1 ZINC001463153640 1068305870 /nfs/dbraw/zinc/30/58/70/1068305870.db2.gz QLEXXKZQWQDLDM-SFTDATJTSA-N 0 0 450.442 4.982 20 0 JJADRN CC[C@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)C(C)(C)c1ccccc1 ZINC001463158109 1068306831 /nfs/dbraw/zinc/30/68/31/1068306831.db2.gz ZUKPRSCNZRRPBO-FQEVSTJZSA-N 0 0 450.398 4.858 20 0 JJADRN COC(=O)C[C@H](NS(=O)(=O)C1=Cc2cc(OC)ccc2CC1)c1ccc(C(C)(C)C)cc1 ZINC001463164327 1068307416 /nfs/dbraw/zinc/30/74/16/1068307416.db2.gz GSUXXLVPFOJEDC-QHCPKHFHSA-N 0 0 457.592 4.504 20 0 JJADRN Cc1cc(Br)cc2c1N(S(=O)(=O)c1ccc(Br)s1)CCC2 ZINC001463164731 1068307570 /nfs/dbraw/zinc/30/75/70/1068307570.db2.gz IKFOAMNEQRRBPZ-UHFFFAOYSA-N 0 0 451.205 4.723 20 0 JJADRN O=C1[C@@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)CCCN1c1ccccc1Cl ZINC001463166044 1068308536 /nfs/dbraw/zinc/30/85/36/1068308536.db2.gz NRVLPVCDLTVEGV-HNNXBMFYSA-N 0 0 455.388 4.682 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001463169363 1068308849 /nfs/dbraw/zinc/30/88/49/1068308849.db2.gz UMSRYYPBEFJJTN-SFHVURJKSA-N 0 0 451.869 4.632 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cc(Br)cc(C)c32)cc1Cl ZINC001463169046 1068308989 /nfs/dbraw/zinc/30/89/89/1068308989.db2.gz XMJMEUHGMLJUQE-UHFFFAOYSA-N 0 0 457.777 4.511 20 0 JJADRN CCC1(Cn2c(-c3cn(C)c4ccccc34)nnc2N(CCOC)CC(C)C)CCOCC1 ZINC001546137099 1068309224 /nfs/dbraw/zinc/30/92/24/1068309224.db2.gz FPRWSIYMMVGTPZ-UHFFFAOYSA-N 0 0 453.631 4.752 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001463172650 1068309307 /nfs/dbraw/zinc/30/93/07/1068309307.db2.gz JXKWZCYTTSAJQR-PMACEKPBSA-N 0 0 452.389 4.876 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463178385 1068310076 /nfs/dbraw/zinc/31/00/76/1068310076.db2.gz SCYIVQSZJVQHBY-MSOLQXFVSA-N 0 0 455.462 4.607 20 0 JJADRN CC(C)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463178678 1068310960 /nfs/dbraw/zinc/31/09/60/1068310960.db2.gz FAQXIARGQKVKRU-HSZRJFAPSA-N 0 0 458.530 4.763 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC001463182194 1068312311 /nfs/dbraw/zinc/31/23/11/1068312311.db2.gz IRYDQYARROYIOY-NEPJUHHUSA-N 0 0 457.253 4.506 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC001463183539 1068312989 /nfs/dbraw/zinc/31/29/89/1068312989.db2.gz GHTIINJEVDWXDH-UHFFFAOYSA-N 0 0 456.324 4.568 20 0 JJADRN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC001463186454 1068313422 /nfs/dbraw/zinc/31/34/22/1068313422.db2.gz NYFBIEAOXXCVGM-HXUWFJFHSA-N 0 0 456.612 4.849 20 0 JJADRN CC1(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC2(CC1)OCCO2 ZINC001463191244 1068315653 /nfs/dbraw/zinc/31/56/53/1068315653.db2.gz LMVSOEMMWNBFQE-UHFFFAOYSA-N 0 0 455.395 4.543 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)o1 ZINC001463194157 1068315893 /nfs/dbraw/zinc/31/58/93/1068315893.db2.gz HHKFGQOSJXLJKZ-SCLBCKFNSA-N 0 0 454.976 4.624 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1 ZINC001463192426 1068316218 /nfs/dbraw/zinc/31/62/18/1068316218.db2.gz HYLANDSCXLXMNU-UHFFFAOYSA-N 0 0 458.393 4.975 20 0 JJADRN O=c1ccc2cc(S(=O)(=O)N(CCSc3ccc(F)cc3)c3ccccc3)ccc2o1 ZINC001463196414 1068317105 /nfs/dbraw/zinc/31/71/05/1068317105.db2.gz SGZNJHBMXJRRIO-UHFFFAOYSA-N 0 0 455.532 4.920 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1F ZINC001463197556 1068317220 /nfs/dbraw/zinc/31/72/20/1068317220.db2.gz VZMXJIFRUHYSBQ-ZDUSSCGKSA-N 0 0 454.283 4.907 20 0 JJADRN CCOc1ccc(CCNC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)cc1 ZINC001463198431 1068317570 /nfs/dbraw/zinc/31/75/70/1068317570.db2.gz AWCLQXSVJPFKBV-UHFFFAOYSA-N 0 0 459.340 4.696 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@@H]1CCOC12CCCCC2 ZINC001463198545 1068317824 /nfs/dbraw/zinc/31/78/24/1068317824.db2.gz MYQXRCISLCKIID-CYBMUJFWSA-N 0 0 451.224 4.814 20 0 JJADRN Cc1ccc(CCS(=O)(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 ZINC001463200595 1068318138 /nfs/dbraw/zinc/31/81/38/1068318138.db2.gz DMIFJOHFRHCXBR-XMMPIXPASA-N 0 0 457.979 4.671 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c2ccccc2O1 ZINC001463200434 1068318265 /nfs/dbraw/zinc/31/82/65/1068318265.db2.gz ZPGNXTWKTGZOMD-ZDUSSCGKSA-N 0 0 450.276 4.834 20 0 JJADRN COC(=O)c1sccc1S(=O)(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC001463200027 1068318278 /nfs/dbraw/zinc/31/82/78/1068318278.db2.gz BPSBXRCIKQLGRK-GOSISDBHSA-N 0 0 453.944 4.704 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001463201230 1068318328 /nfs/dbraw/zinc/31/83/28/1068318328.db2.gz JEIHSMCVRNLOKO-AREMUKBSSA-N 0 0 459.615 4.853 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)c3cccnc3Oc3ccc(Br)cc3)C2)n1 ZINC001463202193 1068318789 /nfs/dbraw/zinc/31/87/89/1068318789.db2.gz RMOWJECIVGJTNT-HIFRSBDPSA-N 0 0 457.328 4.648 20 0 JJADRN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)C2)n1 ZINC001463202151 1068318894 /nfs/dbraw/zinc/31/88/94/1068318894.db2.gz RJZIITQWHBZIFF-BBRMVZONSA-N 0 0 457.328 4.648 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(CC)o2)c(F)cc1Cl ZINC001463203882 1068319277 /nfs/dbraw/zinc/31/92/77/1068319277.db2.gz XGGKPMCHZCTWCB-FZKQIMNGSA-N 0 0 457.951 4.973 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)S(=O)(=O)c2ccc(C(F)F)o2)cc1OC ZINC001463207136 1068319712 /nfs/dbraw/zinc/31/97/12/1068319712.db2.gz LFIPOFDLPNAYJA-UHFFFAOYSA-N 0 0 457.520 4.730 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC001463205147 1068319755 /nfs/dbraw/zinc/31/97/55/1068319755.db2.gz PUVGWRMUGVAWLD-KRWDZBQOSA-N 0 0 450.240 4.812 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccccc1 ZINC001463208129 1068320303 /nfs/dbraw/zinc/32/03/03/1068320303.db2.gz CKZRUHQRAVYHPZ-SFHVURJKSA-N 0 0 452.016 4.792 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC001463209108 1068320580 /nfs/dbraw/zinc/32/05/80/1068320580.db2.gz IUQGFBSDOABSHA-BZNIZROVSA-N 0 0 454.495 4.826 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC001463209122 1068320895 /nfs/dbraw/zinc/32/08/95/1068320895.db2.gz IUQGFBSDOABSHA-ZBEGNZNMSA-N 0 0 454.495 4.826 20 0 JJADRN C[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)Oc1cccc(Br)c1 ZINC001463211553 1068322037 /nfs/dbraw/zinc/32/20/37/1068322037.db2.gz BCDHTTWMSQBJDP-NSHDSACASA-N 0 0 453.185 4.643 20 0 JJADRN CO[C@@H](CNS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1cccc(Cl)c1 ZINC001463216075 1068322770 /nfs/dbraw/zinc/32/27/70/1068322770.db2.gz DBMHAHGUTRHOKE-HNNXBMFYSA-N 0 0 453.185 4.730 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)n2)c1 ZINC001463220395 1068324124 /nfs/dbraw/zinc/32/41/24/1068324124.db2.gz CNXJIYGQQRKWPB-QGZVFWFLSA-N 0 0 455.580 4.974 20 0 JJADRN CC1(C)CCC[C@H]1N(Cc1ccccc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001463229898 1068328573 /nfs/dbraw/zinc/32/85/73/1068328573.db2.gz GZWCHBJUFFJKMA-BJKOFHAPSA-N 0 0 454.636 4.702 20 0 JJADRN COC(=O)C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC001463230271 1068328889 /nfs/dbraw/zinc/32/88/89/1068328889.db2.gz PZGHGZCUEBDDNW-KRWDZBQOSA-N 0 0 456.789 4.756 20 0 JJADRN O=S(=O)(c1ccc(Br)o1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463232712 1068329647 /nfs/dbraw/zinc/32/96/47/1068329647.db2.gz ACDMFPJOSZDLLL-LLVKDONJSA-N 0 0 455.157 4.581 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)N(C)C2c3ccccc3-c3ccccc32)c1 ZINC001463233960 1068329888 /nfs/dbraw/zinc/32/98/88/1068329888.db2.gz AENJLRVRRXZXFN-UHFFFAOYSA-N 0 0 458.377 4.989 20 0 JJADRN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001463235663 1068330275 /nfs/dbraw/zinc/33/02/75/1068330275.db2.gz WJGOPRLAAKKNNA-QHCPKHFHSA-N 0 0 456.608 4.813 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(Cl)ccc2Br)C1(CC)CC ZINC001463235488 1068330326 /nfs/dbraw/zinc/33/03/26/1068330326.db2.gz GJAPJIHYZZWBMQ-SJORKVTESA-N 0 0 452.842 4.848 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546137422 1068330825 /nfs/dbraw/zinc/33/08/25/1068330825.db2.gz RGHLHUWJNCMQMW-RTBURBONSA-N 0 0 456.635 4.603 20 0 JJADRN CC(=O)N1CCCc2ccc(S(=O)(=O)NCC3(Sc4ccc(C)cc4)CCCC3)cc21 ZINC001463237808 1068331457 /nfs/dbraw/zinc/33/14/57/1068331457.db2.gz MKWXUOGSYWXQOD-UHFFFAOYSA-N 0 0 458.649 4.678 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1)C2 ZINC001463246540 1068333144 /nfs/dbraw/zinc/33/31/44/1068333144.db2.gz ZYQLESGDLRQCMC-TXTKFYIRSA-N 0 0 480.605 4.755 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccnn1[C@H]1CCCOC1 ZINC001463245266 1068333317 /nfs/dbraw/zinc/33/33/17/1068333317.db2.gz RCFSEPKKNZWLAT-AWEZNQCLSA-N 0 0 450.326 4.553 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC ZINC001463245883 1068333339 /nfs/dbraw/zinc/33/33/39/1068333339.db2.gz FCPXKKVXTKMNSQ-SDHOMARFSA-N 0 0 472.557 4.803 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1cc(Br)c(F)cc1C)Oc1ccccc1Cl ZINC001463247000 1068333938 /nfs/dbraw/zinc/33/39/38/1068333938.db2.gz IOYIGAFWNJTXGU-GFCCVEGCSA-N 0 0 450.757 4.686 20 0 JJADRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1ccc(C(F)(F)F)s1)C[C@@H](C)O2 ZINC001463248951 1068334242 /nfs/dbraw/zinc/33/42/42/1068334242.db2.gz UWVVMEDTOSMXBX-SECBINFHSA-N 0 0 456.305 4.814 20 0 JJADRN O=S(=O)(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252671 1068335506 /nfs/dbraw/zinc/33/55/06/1068335506.db2.gz PMCIOHKQRZKHSA-IUCAKERBSA-N 0 0 452.695 4.889 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001463251437 1068335676 /nfs/dbraw/zinc/33/56/76/1068335676.db2.gz HGBGMJQOECHCIC-INIZCTEOSA-N 0 0 455.530 4.577 20 0 JJADRN Cc1ccccc1[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC001463257211 1068336863 /nfs/dbraw/zinc/33/68/63/1068336863.db2.gz FSTDCTCZXMHBMO-GGAORHGYSA-N 0 0 458.624 4.660 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)c1ccc(C)cc1 ZINC001463258885 1068337058 /nfs/dbraw/zinc/33/70/58/1068337058.db2.gz WEWGCCUCMRNQGV-QFIPXVFZSA-N 0 0 453.583 4.961 20 0 JJADRN O=S(=O)(CCc1ccccc1Br)N(c1ccccc1)C1Cc2ccccc2C1 ZINC001463258161 1068337090 /nfs/dbraw/zinc/33/70/90/1068337090.db2.gz NUNCIZXKRJKTFL-UHFFFAOYSA-N 0 0 456.405 4.995 20 0 JJADRN CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1c(F)cc(OC)cc1F ZINC001463259648 1068337523 /nfs/dbraw/zinc/33/75/23/1068337523.db2.gz OLQKGSMFSJQTHB-FQEVSTJZSA-N 0 0 452.910 4.822 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC001463262750 1068337896 /nfs/dbraw/zinc/33/78/96/1068337896.db2.gz IRWKFGZOHPEYLV-QHCPKHFHSA-N 0 0 457.983 4.862 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC001463264419 1068338640 /nfs/dbraw/zinc/33/86/40/1068338640.db2.gz BNTLEKIZTNVRSA-GOSISDBHSA-N 0 0 455.580 4.659 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4cc(Cl)cc(Cl)c4[C@H]3C)cc21 ZINC001463264594 1068338746 /nfs/dbraw/zinc/33/87/46/1068338746.db2.gz XNSSSXCHKNSZKT-CYBMUJFWSA-N 0 0 453.391 4.601 20 0 JJADRN CCc1cccc2c(CCNS(=O)(=O)c3cc(Br)c(Cl)cc3C)c[nH]c21 ZINC001463265558 1068339595 /nfs/dbraw/zinc/33/95/95/1068339595.db2.gz AIXOTJYRYROYJY-UHFFFAOYSA-N 0 0 455.805 4.976 20 0 JJADRN C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC001463267719 1068340007 /nfs/dbraw/zinc/34/00/07/1068340007.db2.gz PQRUTNOZIPMXRI-LLVKDONJSA-N 0 0 459.818 4.763 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Br)c1ccc(F)cc1F ZINC001463276526 1068341545 /nfs/dbraw/zinc/34/15/45/1068341545.db2.gz NVCQKSLYTSCHED-SFHVURJKSA-N 0 0 454.702 4.563 20 0 JJADRN Cc1cc(S(=O)(=O)NC2CCN(c3cccs3)CC2)cc(C)c1OCc1ccccc1 ZINC001463278505 1068342676 /nfs/dbraw/zinc/34/26/76/1068342676.db2.gz GTJPAOAYDJYBHG-UHFFFAOYSA-N 0 0 456.633 4.891 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cnc1C(F)F ZINC001463284795 1068344004 /nfs/dbraw/zinc/34/40/04/1068344004.db2.gz GEAOQFQWDHSIAS-UHFFFAOYSA-N 0 0 457.502 4.721 20 0 JJADRN Cn1ncc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1C(F)(F)F ZINC001463286258 1068344755 /nfs/dbraw/zinc/34/47/55/1068344755.db2.gz XTBQHJJVLUFZQZ-QGZVFWFLSA-N 0 0 455.889 4.581 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@H](C)c2csc3ccccc32)C1 ZINC001463287129 1068345191 /nfs/dbraw/zinc/34/51/91/1068345191.db2.gz LXHFBHASOIIQEK-VDABOFBKSA-N 0 0 452.576 4.895 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1coc(-c2c(F)cccc2F)n1)c1ccc(C(F)(F)F)cc1 ZINC001463289510 1068345940 /nfs/dbraw/zinc/34/59/40/1068345940.db2.gz JVPPDYNVGWPMJZ-HNNXBMFYSA-N 0 0 454.351 4.673 20 0 JJADRN C[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463289456 1068346025 /nfs/dbraw/zinc/34/60/25/1068346025.db2.gz JDFFIMLOMCZNSH-OSPHWJPCSA-N 0 0 459.496 4.939 20 0 JJADRN C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294754 1068347952 /nfs/dbraw/zinc/34/79/52/1068347952.db2.gz SVCOIXPZDLGEIB-MFKMUULPSA-N 0 0 453.185 4.546 20 0 JJADRN COCCO[C@]12CCC[C@@]1(NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCO2 ZINC001463294803 1068348062 /nfs/dbraw/zinc/34/80/62/1068348062.db2.gz AIOVYXMBMVGTDX-DUFJLWIISA-N 0 0 467.406 4.556 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCOC2(C1)CCCCCC2 ZINC001463296488 1068348503 /nfs/dbraw/zinc/34/85/03/1068348503.db2.gz ZCTWQBZCBWDJCA-UHFFFAOYSA-N 0 0 457.217 4.870 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2c3ncsc3ccc2Cl)c(OCC(F)(F)F)c1 ZINC001463296260 1068348576 /nfs/dbraw/zinc/34/85/76/1068348576.db2.gz NWNYQCRMDPCOCH-UHFFFAOYSA-N 0 0 450.891 4.678 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001463297007 1068348696 /nfs/dbraw/zinc/34/86/96/1068348696.db2.gz CFFSACPZFLDBIB-GOSISDBHSA-N 0 0 453.402 4.503 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC001463297011 1068348803 /nfs/dbraw/zinc/34/88/03/1068348803.db2.gz CFFSACPZFLDBIB-SFHVURJKSA-N 0 0 453.402 4.503 20 0 JJADRN CC(C)OC(=O)C(C)(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC001463302323 1068349965 /nfs/dbraw/zinc/34/99/65/1068349965.db2.gz WOOGBULYTHAHPV-UHFFFAOYSA-N 0 0 456.546 4.607 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cc2)cc1 ZINC001463307600 1068350928 /nfs/dbraw/zinc/35/09/28/1068350928.db2.gz KAZURPRMKFAWIV-KKSFZXQISA-N 0 0 451.635 4.534 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1SC(F)(F)F ZINC001463306797 1068351114 /nfs/dbraw/zinc/35/11/14/1068351114.db2.gz OZFCUGRAYQZBOQ-UHFFFAOYSA-N 0 0 457.524 4.928 20 0 JJADRN O=C(NCc1ccccc1SC(F)(F)F)c1occc1CS(=O)(=O)c1ccccc1 ZINC001463307641 1068351144 /nfs/dbraw/zinc/35/11/44/1068351144.db2.gz RPCAGFFTGWJVJE-UHFFFAOYSA-N 0 0 455.479 4.795 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC001463310068 1068351664 /nfs/dbraw/zinc/35/16/64/1068351664.db2.gz SPQSXSWWFCGZCI-VBKZILBWSA-N 0 0 458.407 4.960 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC001463320379 1068355152 /nfs/dbraw/zinc/35/51/52/1068355152.db2.gz HUMGBKWBBFDLCO-HSZRJFAPSA-N 0 0 459.995 4.883 20 0 JJADRN C[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001463322441 1068356123 /nfs/dbraw/zinc/35/61/23/1068356123.db2.gz KETPRMMGDVXFNB-NSHDSACASA-N 0 0 457.752 4.699 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)Cc1ccc2c(c1)CCCO2 ZINC001463323823 1068356696 /nfs/dbraw/zinc/35/66/96/1068356696.db2.gz IFXULTHJRJAQMC-UHFFFAOYSA-N 0 0 450.579 4.601 20 0 JJADRN CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC001463325552 1068357141 /nfs/dbraw/zinc/35/71/41/1068357141.db2.gz VHSUNTJTFYOBPH-MRXNPFEDSA-N 0 0 451.386 4.718 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001463325529 1068357174 /nfs/dbraw/zinc/35/71/74/1068357174.db2.gz ODAOTJVGIXDHIA-NWQRRCCFSA-N 0 0 455.002 4.608 20 0 JJADRN CCc1nc(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)nn1-c1ccccc1Cl ZINC001463327888 1068357489 /nfs/dbraw/zinc/35/74/89/1068357489.db2.gz WTMJVQVDZWPLQS-UHFFFAOYSA-N 0 0 457.361 4.872 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)CCc3ccc(C(C)(C)C)cc3)[nH]c2c(Br)c1 ZINC001463326262 1068357559 /nfs/dbraw/zinc/35/75/59/1068357559.db2.gz JKTDLCMRUYWMCD-UHFFFAOYSA-N 0 0 458.356 4.981 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001463329650 1068358171 /nfs/dbraw/zinc/35/81/71/1068358171.db2.gz RKLMJYBUQDWJEM-UHFFFAOYSA-N 0 0 456.470 4.750 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1csnc1-c1ccccc1 ZINC001463328382 1068358195 /nfs/dbraw/zinc/35/81/95/1068358195.db2.gz VIAWLQQBVRKBSK-INIZCTEOSA-N 0 0 451.411 4.872 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)c(O[C@H](C)CC(C)C)c1 ZINC001463329011 1068358217 /nfs/dbraw/zinc/35/82/17/1068358217.db2.gz AUJLUUQYSGMODZ-CQSZACIVSA-N 0 0 454.017 4.945 20 0 JJADRN O=S(=O)(CCCC1CCOCC1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001463330876 1068358626 /nfs/dbraw/zinc/35/86/26/1068358626.db2.gz KFGARZQYRGXQHN-UHFFFAOYSA-N 0 0 456.530 4.639 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001463331763 1068358812 /nfs/dbraw/zinc/35/88/12/1068358812.db2.gz VIHDSWCVYCIQEZ-SNVBAGLBSA-N 0 0 450.732 4.997 20 0 JJADRN CC(C)(CNS(=O)(=O)c1ccc(F)c(Br)c1F)Cc1cccc(Cl)c1 ZINC001463332227 1068359301 /nfs/dbraw/zinc/35/93/01/1068359301.db2.gz AZEDRYOKOYNWOH-UHFFFAOYSA-N 0 0 452.748 4.928 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(c3cc(F)cc(C(F)(F)F)c3)CC1)C2 ZINC001463333422 1068359662 /nfs/dbraw/zinc/35/96/62/1068359662.db2.gz JGZZPKNJSHHKHO-VHSSKADRSA-N 0 0 456.480 4.780 20 0 JJADRN C[S@@](=O)(=NS(=O)(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333530 1068359696 /nfs/dbraw/zinc/35/96/96/1068359696.db2.gz FMFHAJMNQOYQSX-NGOKVRLYSA-N 0 0 459.008 4.833 20 0 JJADRN C[S@@](=O)(=NS(=O)(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333519 1068359899 /nfs/dbraw/zinc/35/98/99/1068359899.db2.gz FMFHAJMNQOYQSX-MMTVBGGISA-N 0 0 459.008 4.833 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@H]([C@H]3CCOC3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463335619 1068360612 /nfs/dbraw/zinc/36/06/12/1068360612.db2.gz NVKRFEIOCJDHEN-RLBLXZPPSA-N 0 0 477.045 4.956 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cc1 ZINC001463337843 1068361335 /nfs/dbraw/zinc/36/13/35/1068361335.db2.gz QQSMTLVGTPJOOF-SECBINFHSA-N 0 0 451.321 4.542 20 0 JJADRN CC(C)(CNS(=O)(=O)c1c(Br)cc(F)cc1Br)C1CCCC1 ZINC001463343496 1068363615 /nfs/dbraw/zinc/36/36/15/1068363615.db2.gz AQHUZFARPSOAAI-UHFFFAOYSA-N 0 0 457.203 4.845 20 0 JJADRN CCOc1ccc(Cl)cc1CCNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001463344976 1068364430 /nfs/dbraw/zinc/36/44/30/1068364430.db2.gz CWSOLAMCULOZQD-UHFFFAOYSA-N 0 0 458.285 4.812 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)Cc3cc(C)ccc3Br)CC2)cc1 ZINC001463345337 1068365148 /nfs/dbraw/zinc/36/51/48/1068365148.db2.gz BEVILCZKBWFDDX-UHFFFAOYSA-N 0 0 450.398 4.775 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC001463345671 1068365331 /nfs/dbraw/zinc/36/53/31/1068365331.db2.gz CCRXVUYFSMUGGP-UHFFFAOYSA-N 0 0 456.391 4.887 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC001463346064 1068365766 /nfs/dbraw/zinc/36/57/66/1068365766.db2.gz UCHIAPLGGKQAAH-PKOBYXMFSA-N 0 0 455.498 4.805 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)[C@@H](C[C@@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346628 1068366209 /nfs/dbraw/zinc/36/62/09/1068366209.db2.gz JZTTVMNUSUUBNI-VHSXEESVSA-N 0 0 453.280 4.754 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001463348570 1068366870 /nfs/dbraw/zinc/36/68/70/1068366870.db2.gz PGGBCRSJUDZBAK-CQSZACIVSA-N 0 0 454.445 4.868 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC001463349293 1068366952 /nfs/dbraw/zinc/36/69/52/1068366952.db2.gz ROIBKARXBNLIIT-AUUYWEPGSA-N 0 0 458.805 4.690 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)c1cccc(S(=O)(=O)NC(C)C)c1)C[C@@H](C)C2 ZINC001463356595 1068369492 /nfs/dbraw/zinc/36/94/92/1068369492.db2.gz GELWWPKYUADKHH-AWEZNQCLSA-N 0 0 454.514 4.540 20 0 JJADRN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001463358456 1068370265 /nfs/dbraw/zinc/37/02/65/1068370265.db2.gz YCVIEINIZCAGCG-HZPDHXFCSA-N 0 0 451.555 4.680 20 0 JJADRN COC(=O)c1ccc2c(n1)CN(C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)CC2 ZINC001463362159 1068371227 /nfs/dbraw/zinc/37/12/27/1068371227.db2.gz XNUALKJDPCCGLK-JOCHJYFZSA-N 0 0 452.963 4.940 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@@H]4C(C)C)CC3)cc2)c1 ZINC001463360455 1068371351 /nfs/dbraw/zinc/37/13/51/1068371351.db2.gz RDYFZPPMAULGRP-JOCHJYFZSA-N 0 0 452.599 4.678 20 0 JJADRN CC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)ccc21 ZINC001463362303 1068371772 /nfs/dbraw/zinc/37/17/72/1068371772.db2.gz YDYCTPSKXWEDMS-ZDUSSCGKSA-N 0 0 458.531 4.661 20 0 JJADRN CCC[C@@](C)(NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC001463366449 1068373432 /nfs/dbraw/zinc/37/34/32/1068373432.db2.gz NIJVPELSTSYKKJ-HRAATJIYSA-N 0 0 452.414 4.691 20 0 JJADRN CCC[C@](C)(NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 ZINC001463366031 1068373614 /nfs/dbraw/zinc/37/36/14/1068373614.db2.gz CVJUZQGEIOESKJ-QHCPKHFHSA-N 0 0 457.368 4.657 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)[C@H](C)SCc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC001463367801 1068374233 /nfs/dbraw/zinc/37/42/33/1068374233.db2.gz RTOVLROLFUXJRV-AWEZNQCLSA-N 0 0 456.951 4.993 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCCc4c(cccc4OC)C3)s2)cc1OC ZINC001463368229 1068374418 /nfs/dbraw/zinc/37/44/18/1068374418.db2.gz BFZCGZAEZHQLCO-GOSISDBHSA-N 0 0 452.576 4.822 20 0 JJADRN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Oc3cccc(Br)c3)nc1)CC2 ZINC001463368158 1068374533 /nfs/dbraw/zinc/37/45/33/1068374533.db2.gz UFHHNXSWBPIYGB-UHFFFAOYSA-N 0 0 453.292 4.626 20 0 JJADRN CCOC(=O)c1cn(CC)nc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001463369052 1068374780 /nfs/dbraw/zinc/37/47/80/1068374780.db2.gz VDVMYVAEUDWMNI-UHFFFAOYSA-N 0 0 453.351 4.691 20 0 JJADRN O=Cc1ccc(OCc2ccccc2)cc1OS(=O)(=O)c1ccc(Br)s1 ZINC001463380632 1068378044 /nfs/dbraw/zinc/37/80/44/1068378044.db2.gz ADAVRJCVXSKVBQ-UHFFFAOYSA-N 0 0 453.335 4.670 20 0 JJADRN Cc1nc([C@@H]2CCOC2)sc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463381341 1068378631 /nfs/dbraw/zinc/37/86/31/1068378631.db2.gz QZISTEFBTPZEPS-SNVBAGLBSA-N 0 0 451.923 4.545 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1 ZINC001463383136 1068379047 /nfs/dbraw/zinc/37/90/47/1068379047.db2.gz UOPALKRFBMUGQI-CQSZACIVSA-N 0 0 451.155 4.780 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001463385997 1068380394 /nfs/dbraw/zinc/38/03/94/1068380394.db2.gz CCSOXFNBYNMVSI-DYVFJYSZSA-N 0 0 450.354 4.976 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2csc(C(=O)OC)c2)cc1 ZINC001463387898 1068381358 /nfs/dbraw/zinc/38/13/58/1068381358.db2.gz BTBBJAHABVFAJY-UHFFFAOYSA-N 0 0 459.589 4.715 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC001463390788 1068381663 /nfs/dbraw/zinc/38/16/63/1068381663.db2.gz IQPNZDWFBDBYDP-AWEZNQCLSA-N 0 0 459.461 4.590 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1C(F)(F)F ZINC001463390806 1068382074 /nfs/dbraw/zinc/38/20/74/1068382074.db2.gz IQPNZDWFBDBYDP-CQSZACIVSA-N 0 0 459.461 4.590 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001463395493 1068382794 /nfs/dbraw/zinc/38/27/94/1068382794.db2.gz SLBWRPLEWWTKEG-UHFFFAOYSA-N 0 0 454.611 4.706 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001463396510 1068383317 /nfs/dbraw/zinc/38/33/17/1068383317.db2.gz UPPBOFRDNJXNIA-YLJYHZDGSA-N 0 0 454.571 4.765 20 0 JJADRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC001463397848 1068383740 /nfs/dbraw/zinc/38/37/40/1068383740.db2.gz NYYCGIPVYBUONV-DHLKQENFSA-N 0 0 453.560 4.632 20 0 JJADRN Cc1nc2c(s1)[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)CCC2 ZINC001463397756 1068383762 /nfs/dbraw/zinc/38/37/62/1068383762.db2.gz UHYBXAOHKPATIC-SNVBAGLBSA-N 0 0 456.214 4.877 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)c(OCCOC(C)C)c1 ZINC001463398053 1068383926 /nfs/dbraw/zinc/38/39/26/1068383926.db2.gz SBBVFAMETJFUCD-UHFFFAOYSA-N 0 0 458.555 4.776 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c(OC)c1 ZINC001463398459 1068384046 /nfs/dbraw/zinc/38/40/46/1068384046.db2.gz JNOUVLSPHDQAAS-FMBWESAJSA-N 0 0 456.970 4.629 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402032 1068385446 /nfs/dbraw/zinc/38/54/46/1068385446.db2.gz XGZNQANJQSFCAL-RDPSFJRHSA-N 0 0 453.535 4.752 20 0 JJADRN CCc1ncc(Cl)c(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)n1 ZINC001463404305 1068386019 /nfs/dbraw/zinc/38/60/19/1068386019.db2.gz TVJROOQBBWVVHN-OAHLLOKOSA-N 0 0 451.880 4.571 20 0 JJADRN O=S(=O)(NCCNc1cccc(Br)c1)c1c(Cl)cc(Cl)cc1Cl ZINC001463403547 1068386122 /nfs/dbraw/zinc/38/61/22/1068386122.db2.gz LFXVNTDAXVUUEP-UHFFFAOYSA-N 0 0 458.592 4.800 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1OC ZINC001463410044 1068387698 /nfs/dbraw/zinc/38/76/98/1068387698.db2.gz ILBSWNPJFKDMSE-KSSFIOAISA-N 0 0 456.967 4.661 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1OC ZINC001463410038 1068387761 /nfs/dbraw/zinc/38/77/61/1068387761.db2.gz ILBSWNPJFKDMSE-KDOFPFPSSA-N 0 0 456.967 4.661 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2c(F)cc(F)cc2F)cc1OC ZINC001463410954 1068388701 /nfs/dbraw/zinc/38/87/01/1068388701.db2.gz KHVJHQLFEIVEDZ-LIRRHRJNSA-N 0 0 457.514 4.891 20 0 JJADRN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001463410982 1068388798 /nfs/dbraw/zinc/38/87/98/1068388798.db2.gz KVURYIPESHXNHH-OAHLLOKOSA-N 0 0 455.407 4.779 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)CO[C@H]2CCCc3ccccc32)n1 ZINC001463412666 1068389289 /nfs/dbraw/zinc/38/92/89/1068389289.db2.gz GUBFJYJAJYWNHD-UXHICEINSA-N 0 0 452.555 4.581 20 0 JJADRN O=S(=O)(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001463415653 1068390523 /nfs/dbraw/zinc/39/05/23/1068390523.db2.gz XVHVWELXTCIIDC-SNVBAGLBSA-N 0 0 458.169 4.997 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)nn1 ZINC001463415464 1068390701 /nfs/dbraw/zinc/39/07/01/1068390701.db2.gz UMWSQMXFCUFKNA-SANMLTNESA-N 0 0 450.583 4.848 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001463418579 1068391564 /nfs/dbraw/zinc/39/15/64/1068391564.db2.gz YBYSXHKUGQDPST-CQSZACIVSA-N 0 0 455.540 4.826 20 0 JJADRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)ccc1Br ZINC001463421024 1068392112 /nfs/dbraw/zinc/39/21/12/1068392112.db2.gz IOJREHBEPGAZFR-UHFFFAOYSA-N 0 0 457.546 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2ncc(OC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)c2C1 ZINC001463427144 1068393249 /nfs/dbraw/zinc/39/32/49/1068393249.db2.gz OYYHRYYJKXLOFU-HOTGVXAUSA-N 0 0 452.338 4.650 20 0 JJADRN O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@H](CC1CCC1)c1ccccc1 ZINC001463427811 1068393842 /nfs/dbraw/zinc/39/38/42/1068393842.db2.gz CAWVPRRKWVWCGB-GOSISDBHSA-N 0 0 452.370 4.529 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001463431662 1068394875 /nfs/dbraw/zinc/39/48/75/1068394875.db2.gz FEWKNPQFUGBEAW-HNNXBMFYSA-N 0 0 455.393 4.533 20 0 JJADRN CC(=O)c1cccc(S(=O)(=O)Oc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c1 ZINC001463429858 1068395041 /nfs/dbraw/zinc/39/50/41/1068395041.db2.gz CPAUNCCTEJOCFP-UHFFFAOYSA-N 0 0 457.548 4.681 20 0 JJADRN CCCN(CCNS(=O)(=O)c1cccc(Sc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001463429916 1068395110 /nfs/dbraw/zinc/39/51/10/1068395110.db2.gz CFGCLXNJBPVSJQ-UHFFFAOYSA-N 0 0 450.626 4.763 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001463431756 1068395318 /nfs/dbraw/zinc/39/53/18/1068395318.db2.gz FMKIHJGIQUOSAE-VLIAUNLRSA-N 0 0 454.926 4.644 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463431747 1068395424 /nfs/dbraw/zinc/39/54/24/1068395424.db2.gz FMKIHJGIQUOSAE-JLTOFOAXSA-N 0 0 454.926 4.644 20 0 JJADRN CCOC(=O)c1csc(N2CCN(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CC2)n1 ZINC001463435152 1068396887 /nfs/dbraw/zinc/39/68/87/1068396887.db2.gz NWWJQJXJCRNZIO-UHFFFAOYSA-N 0 0 455.624 4.631 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c(Cl)cccc2Br)CC[C@@H](C)c2ccccc21 ZINC001463435982 1068396947 /nfs/dbraw/zinc/39/69/47/1068396947.db2.gz DRVYBTVBDHBCML-LRTDBIEQSA-N 0 0 450.760 4.727 20 0 JJADRN CC1(C)CCCN(S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)c2ccccc21 ZINC001463436910 1068397173 /nfs/dbraw/zinc/39/71/73/1068397173.db2.gz OXSHZZMOUGRZJL-NRFANRHFSA-N 0 0 456.608 4.553 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCc3cc(C)c(Br)cc32)c(Br)c1 ZINC001463436845 1068397318 /nfs/dbraw/zinc/39/73/18/1068397318.db2.gz VOQDCLQPMFTGPK-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN O=C1OCc2ccc(S(=O)(=O)N[C@@H]3CCCCC[C@@H]3c3ccccc3C(F)(F)F)cc21 ZINC001463437870 1068397816 /nfs/dbraw/zinc/39/78/16/1068397816.db2.gz ZTOQKUTVCAWRBV-YLJYHZDGSA-N 0 0 453.482 4.771 20 0 JJADRN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001463444685 1068399200 /nfs/dbraw/zinc/39/92/00/1068399200.db2.gz IQNQQKXWPYZBLB-IBGZPJMESA-N 0 0 453.894 4.857 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001463444718 1068399306 /nfs/dbraw/zinc/39/93/06/1068399306.db2.gz VYZHHAQROAFQSL-AWEZNQCLSA-N 0 0 454.951 4.814 20 0 JJADRN O=C(COc1cccc2cccnc21)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463447107 1068399605 /nfs/dbraw/zinc/39/96/05/1068399605.db2.gz TUWPMDNKBVWPEE-UHFFFAOYSA-N 0 0 455.352 4.584 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3Cl)CCCCC2)ccc1Cl ZINC001463446743 1068399764 /nfs/dbraw/zinc/39/97/64/1068399764.db2.gz HQJRIFMZRBXXKZ-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc(Br)c1C ZINC001463446059 1068399818 /nfs/dbraw/zinc/39/98/18/1068399818.db2.gz GJDKRMQKTUVFJR-OAHLLOKOSA-N 0 0 454.386 4.591 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccc1Cl)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001463449308 1068400392 /nfs/dbraw/zinc/40/03/92/1068400392.db2.gz ORUMCFVHUXZEOT-OXQOHEQNSA-N 0 0 457.901 4.589 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(OC)cc(Br)c1OC ZINC001463451736 1068401701 /nfs/dbraw/zinc/40/17/01/1068401701.db2.gz MLVPJWCJGXTYMF-LBPRGKRZSA-N 0 0 453.402 4.710 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001463452194 1068402131 /nfs/dbraw/zinc/40/21/31/1068402131.db2.gz PGCFAWILCDSYRP-IBGZPJMESA-N 0 0 459.587 4.802 20 0 JJADRN O=C(C[C@@H]1CCCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC001463453117 1068402860 /nfs/dbraw/zinc/40/28/60/1068402860.db2.gz OFHNFIILXNIMDR-HNNXBMFYSA-N 0 0 453.010 4.951 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)COCC4)cc2)nn1 ZINC001463453514 1068403011 /nfs/dbraw/zinc/40/30/11/1068403011.db2.gz MCESOPMEYVBWRM-UHFFFAOYSA-N 0 0 451.548 4.794 20 0 JJADRN Cc1ccccc1OCCCC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463454738 1068404420 /nfs/dbraw/zinc/40/44/20/1068404420.db2.gz UPBCVXNXXTUFOF-UHFFFAOYSA-N 0 0 458.521 4.944 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCO[C@H](C(C)(C)C)CC3)ccc21 ZINC001463454404 1068404433 /nfs/dbraw/zinc/40/44/33/1068404433.db2.gz NZNQZVZKMZFABR-QFIPXVFZSA-N 0 0 457.615 4.833 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)COCC2 ZINC001463454623 1068404451 /nfs/dbraw/zinc/40/44/51/1068404451.db2.gz ZRUZXOJBUYTQRU-UHFFFAOYSA-N 0 0 454.548 4.921 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)Cc3coc4cc(Cl)ccc34)n2)C1 ZINC001463455931 1068404922 /nfs/dbraw/zinc/40/49/22/1068404922.db2.gz XDQABQWIEQFYNF-AWEZNQCLSA-N 0 0 456.930 4.782 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1Cl ZINC001463459300 1068406670 /nfs/dbraw/zinc/40/66/70/1068406670.db2.gz IWZMVMNZBWCLAY-AWEZNQCLSA-N 0 0 454.379 4.513 20 0 JJADRN Cc1cccc([C@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)c2ccccn2)c1 ZINC001463458792 1068406886 /nfs/dbraw/zinc/40/68/86/1068406886.db2.gz LFGYRUUEDGRSKJ-FQEVSTJZSA-N 0 0 456.365 4.702 20 0 JJADRN CCCCc1nc(-c2cccc(OS(=O)(=O)c3cc(Cl)c(OC)cc3OC)c2)no1 ZINC001463459651 1068406905 /nfs/dbraw/zinc/40/69/05/1068406905.db2.gz GLZDJPQARNOBCE-UHFFFAOYSA-N 0 0 452.916 4.518 20 0 JJADRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC001463463926 1068408263 /nfs/dbraw/zinc/40/82/63/1068408263.db2.gz ZIJNBMLRXOAKMN-FPOVZHCZSA-N 0 0 457.573 4.918 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC001463465474 1068410115 /nfs/dbraw/zinc/41/01/15/1068410115.db2.gz BHLBVOMLXQPDAV-UHFFFAOYSA-N 0 0 458.805 4.520 20 0 JJADRN CCC(CC)(CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 ZINC001463466077 1068410162 /nfs/dbraw/zinc/41/01/62/1068410162.db2.gz PSLZKIFXTLXXLL-UHFFFAOYSA-N 0 0 459.530 4.900 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001463466732 1068410178 /nfs/dbraw/zinc/41/01/78/1068410178.db2.gz CVQGYLGRIAZNIT-UHFFFAOYSA-N 0 0 450.732 4.928 20 0 JJADRN C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C[C@@H]1NC(=O)C(F)(F)F ZINC001463467631 1068410853 /nfs/dbraw/zinc/41/08/53/1068410853.db2.gz KXUFHWPWDHVKBW-PBHICJAKSA-N 0 0 464.450 4.823 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc(Cl)c2O1 ZINC001463470239 1068412298 /nfs/dbraw/zinc/41/22/98/1068412298.db2.gz LOEQABUHJFTMIJ-CABCVRRESA-N 0 0 456.391 4.797 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1 ZINC001463473657 1068413657 /nfs/dbraw/zinc/41/36/57/1068413657.db2.gz VQKQJLKYMCLYKS-IBGZPJMESA-N 0 0 457.617 4.650 20 0 JJADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001463472486 1068413782 /nfs/dbraw/zinc/41/37/82/1068413782.db2.gz NAXGHGDGQVFYNL-WCQYABFASA-N 0 0 479.833 4.641 20 0 JJADRN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1 ZINC001463474702 1068413815 /nfs/dbraw/zinc/41/38/15/1068413815.db2.gz QOMDMSGOJJBHRX-UHFFFAOYSA-N 0 0 455.407 4.733 20 0 JJADRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001463476681 1068414326 /nfs/dbraw/zinc/41/43/26/1068414326.db2.gz VEOAFDFYDUQXAU-QHCPKHFHSA-N 0 0 451.592 4.758 20 0 JJADRN O=S(=O)(c1oc2ccccc2c1Br)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001463477768 1068415050 /nfs/dbraw/zinc/41/50/50/1068415050.db2.gz MFVIDDJCNQAFSW-MRXNPFEDSA-N 0 0 456.745 4.611 20 0 JJADRN O=S(=O)(NCc1ccc(OCc2ccccc2F)cc1)c1ccc(OC(F)F)c(F)c1 ZINC001463478928 1068415085 /nfs/dbraw/zinc/41/50/85/1068415085.db2.gz QJQUFLDATUDTHJ-UHFFFAOYSA-N 0 0 455.429 4.624 20 0 JJADRN Cc1csc([C@@H](C)CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1 ZINC001463481836 1068415765 /nfs/dbraw/zinc/41/57/65/1068415765.db2.gz AJUMQVBFTAQRJY-ZDUSSCGKSA-N 0 0 451.411 4.963 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Br)cc2I)c(Cl)n1 ZINC001463483132 1068415789 /nfs/dbraw/zinc/41/57/89/1068415789.db2.gz WZHNQMAOGMGEDR-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1I ZINC001463485862 1068416341 /nfs/dbraw/zinc/41/63/41/1068416341.db2.gz KCZHCYQRXRAGOX-AWEZNQCLSA-N 0 0 455.361 4.518 20 0 JJADRN O=S(=O)(Cc1noc2ccccc12)N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001463484687 1068416395 /nfs/dbraw/zinc/41/63/95/1068416395.db2.gz PVIRVROFPCUQSI-CQSZACIVSA-N 0 0 452.376 4.960 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCc4cc(C(C)C)ccc4C3)cc2)cc1 ZINC001463485262 1068416451 /nfs/dbraw/zinc/41/64/51/1068416451.db2.gz SZTJZAGLFYDLPU-UHFFFAOYSA-N 0 0 456.586 4.876 20 0 JJADRN O=C1CCc2ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c3cccc(C(F)(F)F)c3)cc21 ZINC001463486988 1068417169 /nfs/dbraw/zinc/41/71/69/1068417169.db2.gz YGCDPKSTQGRLSW-INIZCTEOSA-N 0 0 451.388 4.806 20 0 JJADRN C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463497599 1068419863 /nfs/dbraw/zinc/41/98/63/1068419863.db2.gz JURNYRBAXOPNRN-DTWKUNHWSA-N 0 0 454.230 4.819 20 0 JJADRN O=S(=O)(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncc(Cl)cc21 ZINC001463503676 1068421088 /nfs/dbraw/zinc/42/10/88/1068421088.db2.gz JDPLXDUOWNSZSD-ZDUSSCGKSA-N 0 0 457.783 4.817 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c(C)cc1F ZINC001463504220 1068421957 /nfs/dbraw/zinc/42/19/57/1068421957.db2.gz ZRGUNDKLCMTWFO-UHFFFAOYSA-N 0 0 459.461 4.687 20 0 JJADRN C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N(C)C ZINC001463505579 1068422598 /nfs/dbraw/zinc/42/25/98/1068422598.db2.gz ZICBQXRFTRAJRV-KSFYIVLOSA-N 0 0 457.615 4.582 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001463506761 1068422646 /nfs/dbraw/zinc/42/26/46/1068422646.db2.gz SFEUENVWKXUQBI-HSZRJFAPSA-N 0 0 453.608 4.549 20 0 JJADRN CCN(C(=O)Cc1c(Cl)cccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463510766 1068423915 /nfs/dbraw/zinc/42/39/15/1068423915.db2.gz IOPAESUUHGUJON-CQSZACIVSA-N 0 0 459.812 4.893 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001463509710 1068423945 /nfs/dbraw/zinc/42/39/45/1068423945.db2.gz BHPNWZKXVWVGNI-XIKOKIGWSA-N 0 0 455.725 4.576 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001463509683 1068423969 /nfs/dbraw/zinc/42/39/69/1068423969.db2.gz BHPNWZKXVWVGNI-SGTLLEGYSA-N 0 0 455.725 4.576 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N(CC)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1C ZINC001463513332 1068425284 /nfs/dbraw/zinc/42/52/84/1068425284.db2.gz STCUDVYFGBTPSE-QFIPXVFZSA-N 0 0 454.615 4.913 20 0 JJADRN O=C(N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463514009 1068425302 /nfs/dbraw/zinc/42/53/02/1068425302.db2.gz UKVRJBABCLBOHU-QFBILLFUSA-N 0 0 456.258 4.881 20 0 JJADRN CCN(C(=O)CSc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463515830 1068425863 /nfs/dbraw/zinc/42/58/63/1068425863.db2.gz XXSMCUVIGYVRML-INIZCTEOSA-N 0 0 457.434 4.789 20 0 JJADRN O=S(=O)(Oc1cc(Cl)c(Br)cc1Cl)c1occc1Br ZINC001463519992 1068426650 /nfs/dbraw/zinc/42/66/50/1068426650.db2.gz PJJGRJNBGIRKMF-UHFFFAOYSA-N 0 0 450.919 4.879 20 0 JJADRN C[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cc2ccccc2s1 ZINC001463522563 1068427395 /nfs/dbraw/zinc/42/73/95/1068427395.db2.gz ARIGJCJYKICZRT-HKUYNNGSSA-N 0 0 458.605 4.540 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c(Cl)c1Cl ZINC001463522721 1068427418 /nfs/dbraw/zinc/42/74/18/1068427418.db2.gz AVMBDIYJMIVADO-ABAIWWIYSA-N 0 0 450.771 4.806 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC001463524333 1068428077 /nfs/dbraw/zinc/42/80/77/1068428077.db2.gz FWHKZKNYLWDIFL-ORAYPTAESA-N 0 0 458.805 4.703 20 0 JJADRN CC[C@H](CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)Oc1ccc(Cl)c(Cl)c1 ZINC001463532721 1068430032 /nfs/dbraw/zinc/43/00/32/1068430032.db2.gz LLPIZPDLKXLYRS-GFCCVEGCSA-N 0 0 457.301 4.885 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC001463535920 1068431444 /nfs/dbraw/zinc/43/14/44/1068431444.db2.gz MDIIDXKLHLEUDW-UHFFFAOYSA-N 0 0 453.926 4.593 20 0 JJADRN O=C(NC1CCCCC1)N1CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 ZINC001463533903 1068431471 /nfs/dbraw/zinc/43/14/71/1068431471.db2.gz CXBGQQLKICGPMF-UHFFFAOYSA-N 0 0 455.002 4.752 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463535586 1068432148 /nfs/dbraw/zinc/43/21/48/1068432148.db2.gz KFVCEWZYBLYBED-PSASIEDQSA-N 0 0 454.230 4.819 20 0 JJADRN COC(=O)c1cc2ccc(OS(=O)(=O)Cc3cccc(Cl)c3Br)cc2o1 ZINC001463536775 1068432172 /nfs/dbraw/zinc/43/21/72/1068432172.db2.gz BHRXADIDBQVWME-UHFFFAOYSA-N 0 0 459.701 4.544 20 0 JJADRN CC(C)(C)c1ccccc1S(=O)(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001463536127 1068432197 /nfs/dbraw/zinc/43/21/97/1068432197.db2.gz KVZPJIYQUSEGLH-QFIPXVFZSA-N 0 0 451.588 4.790 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1 ZINC001463539849 1068434638 /nfs/dbraw/zinc/43/46/38/1068434638.db2.gz MMTMVJPZIPDGBI-VWLOTQADSA-N 0 0 453.587 4.647 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC001463542747 1068436047 /nfs/dbraw/zinc/43/60/47/1068436047.db2.gz JOOSPHTVOQJBHK-JTHBVZDNSA-N 0 0 450.579 4.763 20 0 JJADRN Cc1ccccc1CN(C)C(=O)Cc1ccc(I)c(Br)c1 ZINC001463546203 1068437293 /nfs/dbraw/zinc/43/72/93/1068437293.db2.gz NEUKMKDQZPRMKD-UHFFFAOYSA-N 0 0 458.137 4.563 20 0 JJADRN CC[C@H](NS(=O)(=O)c1sccc1Br)c1cc(F)cc(Br)c1 ZINC001463546656 1068437446 /nfs/dbraw/zinc/43/74/46/1068437446.db2.gz UDFWKDKAOTWDSN-LBPRGKRZSA-N 0 0 457.184 4.842 20 0 JJADRN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2csc(NC3CCCCC3)n2)cc1 ZINC001463549997 1068437989 /nfs/dbraw/zinc/43/79/89/1068437989.db2.gz OBVFHKUGKJQFMK-UHFFFAOYSA-N 0 0 450.630 4.561 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1C1CCN(S(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC001463551309 1068438731 /nfs/dbraw/zinc/43/87/31/1068438731.db2.gz GMTPEICNINMJMG-KRWDZBQOSA-N 0 0 457.583 4.977 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001463551067 1068438867 /nfs/dbraw/zinc/43/88/67/1068438867.db2.gz UTZQOTHPCLUENN-KXBFYZLASA-N 0 0 459.612 4.763 20 0 JJADRN O=S(=O)(NC1(Cc2cccc(F)c2)CCC1)c1cc(Cl)c(Br)cc1F ZINC001463554847 1068439522 /nfs/dbraw/zinc/43/95/22/1068439522.db2.gz JGBLFEBXTUMQHZ-UHFFFAOYSA-N 0 0 450.732 4.824 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)ccc1C(F)(F)F ZINC001463555806 1068440073 /nfs/dbraw/zinc/44/00/73/1068440073.db2.gz CNWBKUXXFSMNQI-CYBMUJFWSA-N 0 0 452.420 4.590 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H](c3ccccc3)C(F)(F)F)ccc2s1 ZINC001463557207 1068440856 /nfs/dbraw/zinc/44/08/56/1068440856.db2.gz YBVDRTXEJSTHBB-INIZCTEOSA-N 0 0 457.495 4.702 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1F ZINC001463561491 1068443383 /nfs/dbraw/zinc/44/33/83/1068443383.db2.gz CHAOVNICINDYIJ-CQSZACIVSA-N 0 0 456.255 4.569 20 0 JJADRN CCOc1ccc2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)[nH]c2c1 ZINC001463561710 1068444068 /nfs/dbraw/zinc/44/40/68/1068444068.db2.gz ALFHSCCRJIRFJP-UHFFFAOYSA-N 0 0 455.580 4.692 20 0 JJADRN CC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[NH+](CC)CC ZINC001463562285 1068444379 /nfs/dbraw/zinc/44/43/79/1068444379.db2.gz RCBWGPLRGUYFFR-GOSISDBHSA-N 0 0 458.411 4.853 20 0 JJADRN O=S(=O)(Oc1cccc(OC(F)(F)F)c1)[C@H]1CCc2cc(Br)ccc2C1 ZINC001463564336 1068445903 /nfs/dbraw/zinc/44/59/03/1068445903.db2.gz MPUOPSYGRAHGND-INIZCTEOSA-N 0 0 451.260 4.614 20 0 JJADRN O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cnc2ccccc2c1 ZINC001463565630 1068446482 /nfs/dbraw/zinc/44/64/82/1068446482.db2.gz QYWJFQJCYGQDNN-QGZVFWFLSA-N 0 0 459.287 4.969 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC001463567061 1068448159 /nfs/dbraw/zinc/44/81/59/1068448159.db2.gz GUTHPLDHRJMCLU-NRFANRHFSA-N 0 0 458.580 4.715 20 0 JJADRN C[C@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001463569356 1068449677 /nfs/dbraw/zinc/44/96/77/1068449677.db2.gz QZPPWKNMLGFNLJ-ORAYPTAESA-N 0 0 450.457 4.955 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC001463569065 1068449701 /nfs/dbraw/zinc/44/97/01/1068449701.db2.gz BVCDPXODHBQXDD-UHFFFAOYSA-N 0 0 459.955 4.812 20 0 JJADRN CC(C)C[C@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463572097 1068451187 /nfs/dbraw/zinc/45/11/87/1068451187.db2.gz AMVCXRKOKMRBDE-NHCUHLMSSA-N 0 0 452.414 4.988 20 0 JJADRN O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463573973 1068451761 /nfs/dbraw/zinc/45/17/61/1068451761.db2.gz NTBNODIDPNSOAK-NRFANRHFSA-N 0 0 451.920 4.672 20 0 JJADRN O=S(=O)(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(Cl)cnc1Cl ZINC001463573469 1068451793 /nfs/dbraw/zinc/45/17/93/1068451793.db2.gz GCRDAPMMCVWHBR-CQSZACIVSA-N 0 0 454.148 4.720 20 0 JJADRN O=S(=O)(N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(Cl)cnc1Cl ZINC001463573463 1068451901 /nfs/dbraw/zinc/45/19/01/1068451901.db2.gz GCRDAPMMCVWHBR-AWEZNQCLSA-N 0 0 454.148 4.720 20 0 JJADRN O=S(=O)(Cc1ccc(C2CCCCC2)cc1)NC[C@@H](O)c1cccc(Br)c1 ZINC001463576495 1068452478 /nfs/dbraw/zinc/45/24/78/1068452478.db2.gz AIQJYVJQOQMLIQ-OAQYLSRUSA-N 0 0 452.414 4.650 20 0 JJADRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC001463580189 1068454506 /nfs/dbraw/zinc/45/45/06/1068454506.db2.gz VCKRNORGIZTXOK-LJQANCHMSA-N 0 0 455.580 4.776 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccnc2Cl)c(Br)c1 ZINC001463581629 1068455328 /nfs/dbraw/zinc/45/53/28/1068455328.db2.gz ADIIBMULYZEFNH-UHFFFAOYSA-N 0 0 455.761 4.790 20 0 JJADRN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463582344 1068455362 /nfs/dbraw/zinc/45/53/62/1068455362.db2.gz MWHVTVIEZUNPRG-QUCCMNQESA-N 0 0 451.386 4.871 20 0 JJADRN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001463581951 1068455390 /nfs/dbraw/zinc/45/53/90/1068455390.db2.gz ULMFICKILXCGSJ-SFHVURJKSA-N 0 0 453.404 4.609 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)C=C3CCC(C)CC3)c2)cc1 ZINC001463583940 1068456132 /nfs/dbraw/zinc/45/61/32/1068456132.db2.gz UEIBVGYSOOPYSQ-UHFFFAOYSA-N 0 0 458.580 4.970 20 0 JJADRN C[C@H]1CC(CCNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001463582645 1068456182 /nfs/dbraw/zinc/45/61/82/1068456182.db2.gz DETJJMDLKUYXDX-HOTGVXAUSA-N 0 0 452.414 4.988 20 0 JJADRN CC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC ZINC001463582988 1068456207 /nfs/dbraw/zinc/45/62/07/1068456207.db2.gz PYSUVYIKEWIYQG-ZDUSSCGKSA-N 0 0 455.374 4.633 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)C[C@@H](C)C(F)(F)F ZINC001463583957 1068456933 /nfs/dbraw/zinc/45/69/33/1068456933.db2.gz UHQJHGNXUXMTKN-LLVKDONJSA-N 0 0 450.866 4.676 20 0 JJADRN CC[C@H]1CC[C@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC001463588711 1068458235 /nfs/dbraw/zinc/45/82/35/1068458235.db2.gz MKQZWXPJZWBVQN-IYARVYRRSA-N 0 0 458.580 4.804 20 0 JJADRN CCN(Cc1ccccc1Br)S(=O)(=O)Cc1ccsc1Br ZINC001463590064 1068458805 /nfs/dbraw/zinc/45/88/05/1068458805.db2.gz NOUBLQJMVWVSFS-UHFFFAOYSA-N 0 0 453.221 4.625 20 0 JJADRN COC(=O)C1(CS(=O)(=O)NCc2ccc(Oc3cccc4ccccc43)cc2)CCCC1 ZINC001463590415 1068458845 /nfs/dbraw/zinc/45/88/45/1068458845.db2.gz HJRVSURAYXEUIE-UHFFFAOYSA-N 0 0 453.560 4.785 20 0 JJADRN O=S(=O)(c1cccc2c1OCCC2)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001463596876 1068460215 /nfs/dbraw/zinc/46/02/15/1068460215.db2.gz DIEKKQGTAHMDQI-UHFFFAOYSA-N 0 0 459.461 4.560 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463595579 1068460254 /nfs/dbraw/zinc/46/02/54/1068460254.db2.gz MNCJQDLTESPPAO-QWHCGFSZSA-N 0 0 457.294 4.701 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)cc1 ZINC001463600336 1068461018 /nfs/dbraw/zinc/46/10/18/1068461018.db2.gz NYJNKBURQKQSSU-UHFFFAOYSA-N 0 0 455.967 4.625 20 0 JJADRN O=S(=O)(c1cccc(Br)c1)N1CCC(c2cccc(Br)c2)CC1 ZINC001463599867 1068461053 /nfs/dbraw/zinc/46/10/53/1068461053.db2.gz NMPLOSFGICJWFC-UHFFFAOYSA-N 0 0 459.203 4.780 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001463607571 1068464017 /nfs/dbraw/zinc/46/40/17/1068464017.db2.gz BJJCHESHUHEWQF-UHFFFAOYSA-N 0 0 459.468 4.506 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 ZINC001463609771 1068465419 /nfs/dbraw/zinc/46/54/19/1068465419.db2.gz WJMLGGJZFXXGEE-UHFFFAOYSA-N 0 0 451.954 4.673 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC001463611627 1068466153 /nfs/dbraw/zinc/46/61/53/1068466153.db2.gz MVDNSWRLCSDLQO-SANMLTNESA-N 0 0 450.276 4.874 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 ZINC001463611091 1068466218 /nfs/dbraw/zinc/46/62/18/1068466218.db2.gz ZHFGDIRXSPFZSI-LLVKDONJSA-N 0 0 450.276 4.753 20 0 JJADRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)cc2)cc1 ZINC001463619439 1068468727 /nfs/dbraw/zinc/46/87/27/1068468727.db2.gz AFIDHCSQFLGBMD-BFUOFWGJSA-N 0 0 473.455 4.704 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)cc2c1C ZINC001463621447 1068469309 /nfs/dbraw/zinc/46/93/09/1068469309.db2.gz ATMHSWBEZPWFHI-QAPCUYQASA-N 0 0 458.605 4.657 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001463621462 1068469407 /nfs/dbraw/zinc/46/94/07/1068469407.db2.gz AVHLWDWZTKTXEF-ZFWWWQNUSA-N 0 0 458.805 4.986 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)cc2c1C ZINC001463621448 1068469456 /nfs/dbraw/zinc/46/94/56/1068469456.db2.gz ATMHSWBEZPWFHI-YJBOKZPZSA-N 0 0 458.605 4.657 20 0 JJADRN O=C(NCc1ccccc1Cl)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001463621884 1068469895 /nfs/dbraw/zinc/46/98/95/1068469895.db2.gz LJPMACOTZRJMMP-SFHVURJKSA-N 0 0 453.739 4.553 20 0 JJADRN Cc1cc(S(=O)(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1C(F)(F)F ZINC001463623419 1068470854 /nfs/dbraw/zinc/47/08/54/1068470854.db2.gz BDIAHTIESGAKCK-UHFFFAOYSA-N 0 0 457.905 4.792 20 0 JJADRN COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001463624256 1068471442 /nfs/dbraw/zinc/47/14/42/1068471442.db2.gz NTUOPLXPZJFSJK-LJQANCHMSA-N 0 0 457.379 4.727 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1OC ZINC001463624911 1068471455 /nfs/dbraw/zinc/47/14/55/1068471455.db2.gz HSZIAUMPLAWKIQ-OAQYLSRUSA-N 0 0 451.972 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)NCc3ccccc3Cl)s2)CC1 ZINC001463626364 1068472994 /nfs/dbraw/zinc/47/29/94/1068472994.db2.gz ZPAVNSSCUUQWTB-UHFFFAOYSA-N 0 0 450.004 4.916 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)s1 ZINC001463627695 1068473726 /nfs/dbraw/zinc/47/37/26/1068473726.db2.gz WHYLCFZJIVESSH-UHFFFAOYSA-N 0 0 455.483 4.832 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001546140465 1068474221 /nfs/dbraw/zinc/47/42/21/1068474221.db2.gz GAHSSZFKJHJAOA-SFHVURJKSA-N 0 0 450.530 4.956 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001463629575 1068474950 /nfs/dbraw/zinc/47/49/50/1068474950.db2.gz KGMOAGFJIKNYPX-UHFFFAOYSA-N 0 0 456.789 4.898 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)nc1Cl)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001463630784 1068475026 /nfs/dbraw/zinc/47/50/26/1068475026.db2.gz GMIQSCALWZVITH-UHFFFAOYSA-N 0 0 450.269 4.566 20 0 JJADRN CN1c2ccc(Br)cc2N(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1(C)C ZINC001463636565 1068477084 /nfs/dbraw/zinc/47/70/84/1068477084.db2.gz DZOACYKDMVTBFM-UHFFFAOYSA-N 0 0 459.356 4.952 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)c(Cl)cc3N)cc2)cc1 ZINC001463637549 1068477671 /nfs/dbraw/zinc/47/76/71/1068477671.db2.gz ZMKPTNVOUDSWKA-UHFFFAOYSA-N 0 0 450.347 4.937 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1 ZINC001463639184 1068478416 /nfs/dbraw/zinc/47/84/16/1068478416.db2.gz GWODUKJQUKCMRN-UHFFFAOYSA-N 0 0 452.292 4.870 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001463650006 1068480920 /nfs/dbraw/zinc/48/09/20/1068480920.db2.gz YMMPPCNHJXAOOG-UHFFFAOYSA-N 0 0 452.418 4.549 20 0 JJADRN O=S(=O)(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463650203 1068480948 /nfs/dbraw/zinc/48/09/48/1068480948.db2.gz INZRJXMKDFBUIL-RIFZZMRRSA-N 0 0 453.963 4.509 20 0 JJADRN Cc1cc(C)n2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)c2n1 ZINC001463652187 1068481459 /nfs/dbraw/zinc/48/14/59/1068481459.db2.gz DAWASCBSTLGOQJ-UHFFFAOYSA-N 0 0 454.939 4.658 20 0 JJADRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC001463651415 1068481572 /nfs/dbraw/zinc/48/15/72/1068481572.db2.gz MWCUQSQSNWUDJH-OAQYLSRUSA-N 0 0 458.045 4.850 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001463651142 1068481579 /nfs/dbraw/zinc/48/15/79/1068481579.db2.gz NTLPIXODWDFFOV-PEBXRYMYSA-N 0 0 454.564 4.632 20 0 JJADRN Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001463653025 1068482452 /nfs/dbraw/zinc/48/24/52/1068482452.db2.gz JRAXCPSFXQFECI-QGZVFWFLSA-N 0 0 458.967 4.993 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001463654477 1068483116 /nfs/dbraw/zinc/48/31/16/1068483116.db2.gz JWWQXAXEQLBVFT-SNVBAGLBSA-N 0 0 453.185 4.945 20 0 JJADRN COc1cc(CC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cc(OC)c1O ZINC001463656929 1068484402 /nfs/dbraw/zinc/48/44/02/1068484402.db2.gz QIBDQWDSRQZRCD-UHFFFAOYSA-N 0 0 459.296 4.540 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)C[C@H]1[C@H]1CCCO1 ZINC001463658211 1068485081 /nfs/dbraw/zinc/48/50/81/1068485081.db2.gz ZXGSKQSCGQOROM-JCGIZDLHSA-N 0 0 453.377 4.582 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC001463658260 1068485143 /nfs/dbraw/zinc/48/51/43/1068485143.db2.gz LNFIARSWMLNFBJ-UHFFFAOYSA-N 0 0 457.752 4.709 20 0 JJADRN O=S(=O)(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)ccc1F ZINC001463658432 1068485151 /nfs/dbraw/zinc/48/51/51/1068485151.db2.gz MNIMFDQZKBIRTD-GFCCVEGCSA-N 0 0 455.132 4.697 20 0 JJADRN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)c(O)c1 ZINC001463658803 1068485731 /nfs/dbraw/zinc/48/57/31/1068485731.db2.gz NALSOSWTUQPNNN-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001463661519 1068486246 /nfs/dbraw/zinc/48/62/46/1068486246.db2.gz MCLITAGJOWLRLL-SPYBWZPUSA-N 0 0 453.004 4.806 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001463661524 1068486272 /nfs/dbraw/zinc/48/62/72/1068486272.db2.gz MCLITAGJOWLRLL-ZRGWGRIASA-N 0 0 453.004 4.806 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001463661517 1068486334 /nfs/dbraw/zinc/48/63/34/1068486334.db2.gz MCLITAGJOWLRLL-CLCXKQKWSA-N 0 0 453.004 4.806 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1Cl ZINC001463663305 1068487179 /nfs/dbraw/zinc/48/71/79/1068487179.db2.gz GQAOSNSBVSTRPO-AWEZNQCLSA-N 0 0 451.416 4.760 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)ccc12 ZINC001463667029 1068488515 /nfs/dbraw/zinc/48/85/15/1068488515.db2.gz JMDKGDRDLSGRFF-UHFFFAOYSA-N 0 0 453.491 4.645 20 0 JJADRN Cn1c2ccc(S(=O)(=O)NC3CCC(c4ccc(C(C)(C)C)cc4)CC3)cc2sc1=O ZINC001463667850 1068488947 /nfs/dbraw/zinc/48/89/47/1068488947.db2.gz MYXDDGHGPGPXPD-UHFFFAOYSA-N 0 0 458.649 4.902 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3(Cc4ccccc4)CC3)ccc2C)cc1 ZINC001463667450 1068489027 /nfs/dbraw/zinc/48/90/27/1068489027.db2.gz VBMKOYCXEQSPMJ-UHFFFAOYSA-N 0 0 450.560 4.766 20 0 JJADRN Cc1cc(Cl)c(OS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)cc1F ZINC001463667291 1068489086 /nfs/dbraw/zinc/48/90/86/1068489086.db2.gz RRZSREJJBRPDMN-UHFFFAOYSA-N 0 0 455.935 4.545 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)c(CC)c1 ZINC001463670401 1068489095 /nfs/dbraw/zinc/48/90/95/1068489095.db2.gz VFTGBXJWUWUXRP-JOCHJYFZSA-N 0 0 450.645 4.586 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N([C@H](C)c2ccccc2)C2CC2)c(Br)c1 ZINC001463673812 1068489835 /nfs/dbraw/zinc/48/98/35/1068489835.db2.gz HMOXPRRTQBKTKJ-CQSZACIVSA-N 0 0 452.370 4.540 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC001463672751 1068489848 /nfs/dbraw/zinc/48/98/48/1068489848.db2.gz DWFIZVCNUTZVPH-HXUWFJFHSA-N 0 0 452.576 4.956 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)[C@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001463680940 1068491706 /nfs/dbraw/zinc/49/17/06/1068491706.db2.gz GJCKAKRIZAYJAT-RPWUZVMVSA-N 0 0 457.523 4.611 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N[C@H](CCO)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001463681342 1068491742 /nfs/dbraw/zinc/49/17/42/1068491742.db2.gz IPKRTPVQVFBURH-GOSISDBHSA-N 0 0 455.363 4.667 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNS(=O)(=O)[C@H]3C[C@H]3c3cccc(F)c3)c2)c1 ZINC001463680944 1068491757 /nfs/dbraw/zinc/49/17/57/1068491757.db2.gz GJCKAKRIZAYJAT-ZEQRLZLVSA-N 0 0 457.523 4.611 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001463679899 1068491778 /nfs/dbraw/zinc/49/17/78/1068491778.db2.gz KKEZMZZECLHRBZ-UHFFFAOYSA-N 0 0 453.944 4.546 20 0 JJADRN O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(CC(F)(F)F)CC1 ZINC001463684980 1068492951 /nfs/dbraw/zinc/49/29/51/1068492951.db2.gz OUNFDDJNUCYLEB-UHFFFAOYSA-N 0 0 454.230 4.821 20 0 JJADRN Cc1c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)[nH]nc1C(F)(F)F ZINC001463685661 1068493638 /nfs/dbraw/zinc/49/36/38/1068493638.db2.gz NFJMSDAICAIECK-GOSISDBHSA-N 0 0 455.484 4.846 20 0 JJADRN CC[C@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1ccc(OC)c(OC)c1 ZINC001463688804 1068494846 /nfs/dbraw/zinc/49/48/46/1068494846.db2.gz VJQBRYDNTJHICB-AWEZNQCLSA-N 0 0 454.342 4.642 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3cccnc3C)ccc2C)cc1 ZINC001463693715 1068495998 /nfs/dbraw/zinc/49/59/98/1068495998.db2.gz KFVVRPIEOHNLAA-RIYZIHGNSA-N 0 0 451.548 4.550 20 0 JJADRN CC(C)[C@@H]1[C@@H](C(C)C)CN1S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC001463695140 1068496859 /nfs/dbraw/zinc/49/68/59/1068496859.db2.gz FQYWZFJVOATYEO-BXUZGUMPSA-N 0 0 457.203 4.652 20 0 JJADRN CC[C@@](NS(=O)(=O)c1csc2ccc(Cl)cc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001463695891 1068497021 /nfs/dbraw/zinc/49/70/21/1068497021.db2.gz ULVDSZJRZAXUSM-IBGZPJMESA-N 0 0 458.388 4.965 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001463697993 1068497957 /nfs/dbraw/zinc/49/79/57/1068497957.db2.gz NNSLWACAVDFODG-OAQYLSRUSA-N 0 0 457.514 4.939 20 0 JJADRN COc1ccc(NC(=O)CC2CCSCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463701314 1068499835 /nfs/dbraw/zinc/49/98/35/1068499835.db2.gz XPPUGDAUDQCVRT-UHFFFAOYSA-N 0 0 455.001 4.621 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)c1 ZINC001463701994 1068499843 /nfs/dbraw/zinc/49/98/43/1068499843.db2.gz XNPIHIYQDJOJOJ-KRWDZBQOSA-N 0 0 458.045 4.768 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001463706521 1068500944 /nfs/dbraw/zinc/50/09/44/1068500944.db2.gz BURXDNZRUWSOIH-HZPDHXFCSA-N 0 0 456.377 4.849 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001463707825 1068501338 /nfs/dbraw/zinc/50/13/38/1068501338.db2.gz MCZXEDAETTXDDO-UHFFFAOYSA-N 0 0 458.480 4.850 20 0 JJADRN CCOc1ccc(OCCCC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001463708626 1068501565 /nfs/dbraw/zinc/50/15/65/1068501565.db2.gz AHCSJYFCPSWDJY-UHFFFAOYSA-N 0 0 450.501 4.608 20 0 JJADRN COc1cc2ccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2cc1OC ZINC001463711258 1068501921 /nfs/dbraw/zinc/50/19/21/1068501921.db2.gz TTZAFIMRHRBJQS-UHFFFAOYSA-N 0 0 458.480 4.834 20 0 JJADRN CC1(C)CCC(C)(C)c2cc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ccc21 ZINC001463711309 1068502268 /nfs/dbraw/zinc/50/22/68/1068502268.db2.gz TVYSVZIUPIHGKY-UHFFFAOYSA-N 0 0 451.586 4.571 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3cc(OC)c(OC)cc3C)s2)cc1 ZINC001463713286 1068502730 /nfs/dbraw/zinc/50/27/30/1068502730.db2.gz ORTZGYOOSBOISD-UHFFFAOYSA-N 0 0 454.548 4.607 20 0 JJADRN COc1cccc(CC2(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)CCCCC2)c1 ZINC001463715088 1068503156 /nfs/dbraw/zinc/50/31/56/1068503156.db2.gz BALANAWTAQMMBF-UHFFFAOYSA-N 0 0 454.586 4.680 20 0 JJADRN CCOc1nc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)co1 ZINC001463718211 1068503858 /nfs/dbraw/zinc/50/38/58/1068503858.db2.gz APIQEORLGHBLPA-UHFFFAOYSA-N 0 0 450.926 4.911 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c2ccc(OC)cc2)cc1 ZINC001463718719 1068504303 /nfs/dbraw/zinc/50/43/03/1068504303.db2.gz RRMGCXXGAAIJOV-SANMLTNESA-N 0 0 454.526 4.977 20 0 JJADRN CC(C)(NS(=O)(=O)c1cc(Br)c(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC001463720138 1068504331 /nfs/dbraw/zinc/50/43/31/1068504331.db2.gz AKYYRUCFJYARNJ-UHFFFAOYSA-N 0 0 458.246 4.960 20 0 JJADRN O=C(NCCSCc1ccccc1F)c1ccc2[nH]cc(I)c2c1 ZINC001463722005 1068504711 /nfs/dbraw/zinc/50/47/11/1068504711.db2.gz FBJIYMFIBKSTOM-UHFFFAOYSA-N 0 0 454.308 4.575 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c(Cl)c1Cl ZINC001463725375 1068505272 /nfs/dbraw/zinc/50/52/72/1068505272.db2.gz OJSRPSGCHCZMSC-GFCCVEGCSA-N 0 0 454.416 4.817 20 0 JJADRN CC(C)(NS(=O)(=O)c1cc(Br)cnc1Cl)c1cccc(C(F)(F)F)c1 ZINC001463725696 1068505279 /nfs/dbraw/zinc/50/52/79/1068505279.db2.gz RHSROKBYMVJMOC-UHFFFAOYSA-N 0 0 457.699 4.730 20 0 JJADRN CC(C)(C)CC[C@@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463725311 1068505425 /nfs/dbraw/zinc/50/54/25/1068505425.db2.gz QAZGVLAXCWYMPB-GFCCVEGCSA-N 0 0 458.930 4.569 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463726281 1068505732 /nfs/dbraw/zinc/50/57/32/1068505732.db2.gz TYYSSLJWIGFCPS-MRVPVSSYSA-N 0 0 454.257 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCCSCc1ccccc1F ZINC001463728432 1068505849 /nfs/dbraw/zinc/50/58/49/1068505849.db2.gz UEMPYEPJXZLBFY-CUWPLCDZSA-N 0 0 450.620 4.991 20 0 JJADRN Cc1coc(-c2ccc(C)c(S(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c2)n1 ZINC001463727344 1068505883 /nfs/dbraw/zinc/50/58/83/1068505883.db2.gz XKUXNKRTVAUSHT-SFHVURJKSA-N 0 0 450.601 4.773 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001463726438 1068505959 /nfs/dbraw/zinc/50/59/59/1068505959.db2.gz YFMLRFJZRUDONT-QZTJIDSGSA-N 0 0 457.036 4.615 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001463732286 1068507343 /nfs/dbraw/zinc/50/73/43/1068507343.db2.gz OWSLHOQSSHFMSW-AWEZNQCLSA-N 0 0 459.203 4.531 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001463738639 1068508518 /nfs/dbraw/zinc/50/85/18/1068508518.db2.gz QALRXAONTGHRSP-ODLFYWEKSA-N 0 0 458.402 4.647 20 0 JJADRN O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001463742523 1068509692 /nfs/dbraw/zinc/50/96/92/1068509692.db2.gz BSAGDXSOGLAUNT-UHFFFAOYSA-N 0 0 459.540 4.854 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c(Cl)c1 ZINC001463745757 1068510998 /nfs/dbraw/zinc/51/09/98/1068510998.db2.gz KMQXFYWXRJPICD-AWEZNQCLSA-N 0 0 458.971 4.647 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC001463747952 1068511577 /nfs/dbraw/zinc/51/15/77/1068511577.db2.gz ZKMNXXGWYQZWSP-LEWJYISDSA-N 0 0 452.551 4.777 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC001463749597 1068511795 /nfs/dbraw/zinc/51/17/95/1068511795.db2.gz VPYQVMILLDRYNJ-CYBMUJFWSA-N 0 0 454.543 4.767 20 0 JJADRN O=C(NCC1(c2ccccn2)CC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001546141386 1068512489 /nfs/dbraw/zinc/51/24/89/1068512489.db2.gz GBJOUJQQOIFZTC-UHFFFAOYSA-N 0 0 450.336 4.558 20 0 JJADRN Cc1cc(S(=O)(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)cc(C)c1OCc1ccccc1 ZINC001463751362 1068512589 /nfs/dbraw/zinc/51/25/89/1068512589.db2.gz RFLWCOHHSBPDMB-HSZRJFAPSA-N 0 0 459.995 4.890 20 0 JJADRN CCOc1ccc(-c2nc(NC(=O)c3ccncc3NC(=O)C(F)(F)F)sc2C)cc1 ZINC001463752202 1068513026 /nfs/dbraw/zinc/51/30/26/1068513026.db2.gz WASKEUMDXWUMJT-UHFFFAOYSA-N 0 0 450.442 4.665 20 0 JJADRN Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c1Br ZINC001463754764 1068513488 /nfs/dbraw/zinc/51/34/88/1068513488.db2.gz YRHOQMJTOTYTOS-SECBINFHSA-N 0 0 457.699 4.864 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1OC(C)C ZINC001463759275 1068514744 /nfs/dbraw/zinc/51/47/44/1068514744.db2.gz JNJZKCBTBNFCHM-IERDGZPVSA-N 0 0 457.514 4.952 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC001463761446 1068516104 /nfs/dbraw/zinc/51/61/04/1068516104.db2.gz PAIUIZMPIHZOGB-GWCFXTLKSA-N 0 0 459.433 4.936 20 0 JJADRN CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 ZINC001463761788 1068516466 /nfs/dbraw/zinc/51/64/66/1068516466.db2.gz PTAITLYMASGQDN-SFHVURJKSA-N 0 0 456.995 4.960 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1-c1ccccc1 ZINC001463763532 1068516672 /nfs/dbraw/zinc/51/66/72/1068516672.db2.gz VSQUUOBJUAAUDM-UHFFFAOYSA-N 0 0 451.526 4.987 20 0 JJADRN Cc1cc(S(=O)(=O)NCC(C)(C)c2ccc(Br)cc2Cl)cnc1Cl ZINC001463765518 1068517255 /nfs/dbraw/zinc/51/72/55/1068517255.db2.gz NGLJWICBTDXYHC-UHFFFAOYSA-N 0 0 452.201 4.715 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(C)c1C ZINC001463770166 1068518604 /nfs/dbraw/zinc/51/86/04/1068518604.db2.gz XSVOAZDEJHARLR-FQEVSTJZSA-N 0 0 450.645 4.829 20 0 JJADRN CC(C)n1cc(C2=CCCN(S(=O)(=O)c3cccc(Sc4ccccc4)c3)CC2)nn1 ZINC001463770168 1068518796 /nfs/dbraw/zinc/51/87/96/1068518796.db2.gz ZMWUOYPVQADONU-UHFFFAOYSA-N 0 0 454.621 4.878 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001463771406 1068519830 /nfs/dbraw/zinc/51/98/30/1068519830.db2.gz AJXBJPHBFBEKLC-TZIWHRDSSA-N 0 0 456.608 4.593 20 0 JJADRN C[C@H](OCCCNC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 ZINC001463775621 1068521572 /nfs/dbraw/zinc/52/15/72/1068521572.db2.gz PNCNTNADVDIHNJ-IBGZPJMESA-N 0 0 451.592 4.544 20 0 JJADRN COc1cc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC ZINC001463777575 1068522165 /nfs/dbraw/zinc/52/21/65/1068522165.db2.gz MKKGJWANZAAPJR-INIZCTEOSA-N 0 0 456.539 4.970 20 0 JJADRN O=S(=O)(Cc1cccc2cccnc21)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001463781553 1068523155 /nfs/dbraw/zinc/52/31/55/1068523155.db2.gz FBKSUWNHPBNYNZ-UHFFFAOYSA-N 0 0 450.482 4.843 20 0 JJADRN COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1C ZINC001463789874 1068524558 /nfs/dbraw/zinc/52/45/58/1068524558.db2.gz GYSYFBJWLUCBHT-IBGZPJMESA-N 0 0 457.514 4.872 20 0 JJADRN CC1(C)CN(S(=O)(=O)CC2Cc3ccccc3C2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463789030 1068524682 /nfs/dbraw/zinc/52/46/82/1068524682.db2.gz BOQYSHPUGHJSPB-OAQYLSRUSA-N 0 0 453.526 4.602 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463792613 1068525951 /nfs/dbraw/zinc/52/59/51/1068525951.db2.gz ACHBYZQTKACSFK-QHCPKHFHSA-N 0 0 457.618 4.702 20 0 JJADRN CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)ccc21 ZINC001463794403 1068527078 /nfs/dbraw/zinc/52/70/78/1068527078.db2.gz HUIPICILZTUIFP-UHFFFAOYSA-N 0 0 451.473 4.910 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cnc1N1CCCC[C@@H]1C ZINC001546141762 1068528544 /nfs/dbraw/zinc/52/85/44/1068528544.db2.gz TZHRONZPGLPQOD-OALUTQOASA-N 0 0 453.562 4.791 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(N)c1 ZINC001463800003 1068528968 /nfs/dbraw/zinc/52/89/68/1068528968.db2.gz MELLNSLXVNLYGF-UHFFFAOYSA-N 0 0 451.573 4.515 20 0 JJADRN O=C(CCOc1ccccc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463800891 1068530274 /nfs/dbraw/zinc/53/02/74/1068530274.db2.gz PPUXLFMMTSRNSV-UHFFFAOYSA-N 0 0 454.492 4.807 20 0 JJADRN COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC001463804535 1068531225 /nfs/dbraw/zinc/53/12/25/1068531225.db2.gz LMZZGRNUVWOYNJ-IBGZPJMESA-N 0 0 457.514 4.569 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001463806291 1068531798 /nfs/dbraw/zinc/53/17/98/1068531798.db2.gz OFOWMMQEBXOHEP-KXBFYZLASA-N 0 0 458.805 4.545 20 0 JJADRN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc(-c3c(C)cccc3C)c2)c1OC ZINC001463806135 1068531888 /nfs/dbraw/zinc/53/18/88/1068531888.db2.gz KQDVRBZJUJCLES-UHFFFAOYSA-N 0 0 459.951 4.760 20 0 JJADRN COc1cc2ccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2cc1OC ZINC001463807002 1068531919 /nfs/dbraw/zinc/53/19/19/1068531919.db2.gz OWQPNYLFZBJDCL-UHFFFAOYSA-N 0 0 458.480 4.834 20 0 JJADRN Cc1nc(-c2ccc(CCNC(=O)Cn3c(=O)sc(C)c3-c3ccccc3)s2)cs1 ZINC001463808672 1068532145 /nfs/dbraw/zinc/53/21/45/1068532145.db2.gz NDTSZIBOICPAEF-UHFFFAOYSA-N 0 0 455.630 4.738 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2=O)cc1 ZINC001463807443 1068532269 /nfs/dbraw/zinc/53/22/69/1068532269.db2.gz LASJNZMOQMWHDJ-SFHVURJKSA-N 0 0 453.633 4.844 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@@H](C)C(c3ccccc3)c3ccccc3)cc2C=O)cc1 ZINC001463809866 1068532694 /nfs/dbraw/zinc/53/26/94/1068532694.db2.gz VXEAEJKFOFXUAY-FQEVSTJZSA-N 0 0 453.542 4.708 20 0 JJADRN CCN1C[C@@H](CN(C)C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)Oc2ccccc21 ZINC001463813406 1068534035 /nfs/dbraw/zinc/53/40/35/1068534035.db2.gz UKWIIPUPAUAQFD-GOSISDBHSA-N 0 0 458.484 4.763 20 0 JJADRN O=S(=O)(c1ccccc1Cl)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001463818871 1068535012 /nfs/dbraw/zinc/53/50/12/1068535012.db2.gz MQVMVOTXJIOJMM-LBPRGKRZSA-N 0 0 459.768 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNS(=O)(=O)c3ccc(Cl)cc3F)cccc21 ZINC001463820512 1068535795 /nfs/dbraw/zinc/53/57/95/1068535795.db2.gz OPDZXTCYGOTPPU-UHFFFAOYSA-N 0 0 454.951 4.645 20 0 JJADRN CCn1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C2CC2)n1 ZINC001463825808 1068537555 /nfs/dbraw/zinc/53/75/55/1068537555.db2.gz LFPAOPVHWJDNLD-UHFFFAOYSA-N 0 0 458.971 4.795 20 0 JJADRN Cc1ccc(NC(=O)Cc2cccc(F)c2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463826656 1068538742 /nfs/dbraw/zinc/53/87/42/1068538742.db2.gz UZJZHAGZMKIPGY-UHFFFAOYSA-N 0 0 450.894 4.909 20 0 JJADRN CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001463828415 1068539354 /nfs/dbraw/zinc/53/93/54/1068539354.db2.gz IVUKSIIZZREJDD-DYESRHJHSA-N 0 0 458.555 4.680 20 0 JJADRN O=S(=O)(Cc1ccc2ccccc2c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001463828909 1068539375 /nfs/dbraw/zinc/53/93/75/1068539375.db2.gz XOEUGOPQJYYXTK-OAQYLSRUSA-N 0 0 451.466 4.642 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc1C(F)(F)F ZINC001463829456 1068539864 /nfs/dbraw/zinc/53/98/64/1068539864.db2.gz VDVZPKZWGFXBDD-LJQANCHMSA-N 0 0 453.482 4.798 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001463832464 1068540560 /nfs/dbraw/zinc/54/05/60/1068540560.db2.gz LQOJRNDDKNTZLC-APWZRJJASA-N 0 0 452.661 4.772 20 0 JJADRN Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2Br)ccc1Br ZINC001463840916 1068541174 /nfs/dbraw/zinc/54/11/74/1068541174.db2.gz VMUQWWYAXKGQNL-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCc3ccc(Br)c(C)c32)c(Br)c1 ZINC001463835632 1068541882 /nfs/dbraw/zinc/54/18/82/1068541882.db2.gz OYTJFLGWZGIZAV-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN Nc1c(I)cccc1C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC001463836053 1068542001 /nfs/dbraw/zinc/54/20/01/1068542001.db2.gz KVJMWHKFHSLJOG-UHFFFAOYSA-N 0 0 455.299 4.820 20 0 JJADRN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001463837949 1068542469 /nfs/dbraw/zinc/54/24/69/1068542469.db2.gz OWHFHSRAQYBHBP-QHCPKHFHSA-N 0 0 451.954 4.592 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CCCC1 ZINC001546142128 1068543214 /nfs/dbraw/zinc/54/32/14/1068543214.db2.gz DCWBNOPQLSSNSH-RTWAWAEBSA-N 0 0 459.679 4.521 20 0 JJADRN CCCOc1ccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1OC ZINC001463841070 1068544077 /nfs/dbraw/zinc/54/40/77/1068544077.db2.gz RMZIVZWTLSAEMA-NRFANRHFSA-N 0 0 454.567 4.635 20 0 JJADRN COc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1Cc1ccccc1 ZINC001463840951 1068544270 /nfs/dbraw/zinc/54/42/70/1068544270.db2.gz ALDUSTJWGSMDRL-UHFFFAOYSA-N 0 0 457.486 4.793 20 0 JJADRN CCC[C@@H](O)CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463841600 1068544927 /nfs/dbraw/zinc/54/49/27/1068544927.db2.gz CTRZXUPNKMSVBL-MRXNPFEDSA-N 0 0 458.552 4.600 20 0 JJADRN O=C(c1ccc(I)cc1F)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001463843128 1068545332 /nfs/dbraw/zinc/54/53/32/1068545332.db2.gz JKCXABPBTIDUBY-AWEZNQCLSA-N 0 0 459.686 4.767 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C ZINC001463845289 1068545845 /nfs/dbraw/zinc/54/58/45/1068545845.db2.gz VPSSSRNLSUAIRI-UHFFFAOYSA-N 0 0 450.645 4.722 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001463845215 1068545930 /nfs/dbraw/zinc/54/59/30/1068545930.db2.gz KILJNPDBYSIRGA-UHFFFAOYSA-N 0 0 450.539 4.875 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(Br)c3ncc(C=O)n3c2)cc1 ZINC001463848276 1068547302 /nfs/dbraw/zinc/54/73/02/1068547302.db2.gz QAHFNSPGBYMYKN-FQEVSTJZSA-N 0 0 456.340 4.675 20 0 JJADRN CN(c1ccc(OC(=O)c2c(Cl)cncc2Cl)cc1)S(=O)(=O)c1ccccc1F ZINC001463849832 1068547746 /nfs/dbraw/zinc/54/77/46/1068547746.db2.gz WTHIFWFAICPHSK-UHFFFAOYSA-N 0 0 455.294 4.572 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC001463850219 1068547875 /nfs/dbraw/zinc/54/78/75/1068547875.db2.gz ZBQIWJOIQOHDFO-MRXNPFEDSA-N 0 0 458.577 4.945 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463855481 1068548153 /nfs/dbraw/zinc/54/81/53/1068548153.db2.gz ANOUFSBWGWBHQB-GGAORHGYSA-N 0 0 452.599 4.605 20 0 JJADRN CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)c1 ZINC001463853698 1068548217 /nfs/dbraw/zinc/54/82/17/1068548217.db2.gz VYIMYVLYAUUOAS-HKUYNNGSSA-N 0 0 480.424 4.652 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CC2)cc1 ZINC001463857393 1068548693 /nfs/dbraw/zinc/54/86/93/1068548693.db2.gz DLQRGRIBVCSLOL-FQEVSTJZSA-N 0 0 454.558 4.805 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1C(C)C ZINC001463857898 1068548824 /nfs/dbraw/zinc/54/88/24/1068548824.db2.gz UHAUUJKQKFRIQU-HSZRJFAPSA-N 0 0 453.551 4.621 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)n(C)n3)CC2)cc1 ZINC001463858321 1068549188 /nfs/dbraw/zinc/54/91/88/1068549188.db2.gz GIIPQJFVDDLJIK-UHFFFAOYSA-N 0 0 456.587 4.651 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)cc1 ZINC001463859688 1068549300 /nfs/dbraw/zinc/54/93/00/1068549300.db2.gz NXDINTZKTXYADR-HHHXNRCGSA-N 0 0 455.602 4.603 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2S(=O)(=O)c1ccc(Br)nc1F ZINC001463862179 1068549646 /nfs/dbraw/zinc/54/96/46/1068549646.db2.gz COJZKGPTTORJTE-UHFFFAOYSA-N 0 0 454.148 4.740 20 0 JJADRN C[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1nc2ccccc2n1C(F)F ZINC001463862424 1068549853 /nfs/dbraw/zinc/54/98/53/1068549853.db2.gz QIZOATIDNNNPEG-DNVCBOLYSA-N 0 0 456.493 4.656 20 0 JJADRN O=C(NCc1ccc(Cl)s1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001463866684 1068550935 /nfs/dbraw/zinc/55/09/35/1068550935.db2.gz ZYKPXRTWRYQHHQ-OAHLLOKOSA-N 0 0 459.768 4.614 20 0 JJADRN CCCN(CC)C(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC001463866844 1068550962 /nfs/dbraw/zinc/55/09/62/1068550962.db2.gz OMPFQABCJNPGRT-UHFFFAOYSA-N 0 0 450.579 4.580 20 0 JJADRN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001463867063 1068551001 /nfs/dbraw/zinc/55/10/01/1068551001.db2.gz JUCBJWVPMAMUJI-UHFFFAOYSA-N 0 0 451.869 4.863 20 0 JJADRN CC(C)[C@@H]1N(S(=O)(=O)c2scc(Br)c2Br)CC12CCCC2 ZINC001463869101 1068551335 /nfs/dbraw/zinc/55/13/35/1068551335.db2.gz XLZOSOXADAIEOS-LBPRGKRZSA-N 0 0 457.253 4.862 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC001463871993 1068551950 /nfs/dbraw/zinc/55/19/50/1068551950.db2.gz BASCSWSFMOHVIU-UHFFFAOYSA-N 0 0 451.592 4.734 20 0 JJADRN NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC001463871174 1068552011 /nfs/dbraw/zinc/55/20/11/1068552011.db2.gz GUDGNXIZYXFNTN-UHFFFAOYSA-N 0 0 453.322 4.840 20 0 JJADRN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H](c2ccccc2)C1 ZINC001463872661 1068552361 /nfs/dbraw/zinc/55/23/61/1068552361.db2.gz MASRBEVEEHXNOE-CGTJXYLNSA-N 0 0 451.430 4.766 20 0 JJADRN COc1ccc([C@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001463873756 1068552745 /nfs/dbraw/zinc/55/27/45/1068552745.db2.gz TUXIYBNZAXPVDO-PXDATVDWSA-N 0 0 453.604 4.668 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccc(OC)cc1 ZINC001463874021 1068552989 /nfs/dbraw/zinc/55/29/89/1068552989.db2.gz HMDSWRFPAVSZBC-XMMPIXPASA-N 0 0 452.576 4.994 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001463881971 1068554442 /nfs/dbraw/zinc/55/44/42/1068554442.db2.gz HAWDBFCTGQRCIT-JTSKRJEESA-N 0 0 458.965 4.801 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC001463883541 1068555098 /nfs/dbraw/zinc/55/50/98/1068555098.db2.gz VJSUOQXPODSMSH-UHFFFAOYSA-N 0 0 459.527 4.714 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC001463884264 1068555152 /nfs/dbraw/zinc/55/51/52/1068555152.db2.gz GRYISDKFUJDOQN-LJQANCHMSA-N 0 0 457.431 4.796 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC001463882491 1068555159 /nfs/dbraw/zinc/55/51/59/1068555159.db2.gz QNHZPYCERBZVDV-UHFFFAOYSA-N 0 0 456.590 4.950 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(I)cc1 ZINC001463884814 1068555698 /nfs/dbraw/zinc/55/56/98/1068555698.db2.gz CAHIMFFQYLHUJH-HOCLYGCPSA-N 0 0 459.331 4.677 20 0 JJADRN O=C(NCC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001463885460 1068555708 /nfs/dbraw/zinc/55/57/08/1068555708.db2.gz KXSGNXXNABFOHI-UHFFFAOYSA-N 0 0 454.979 4.993 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC001463889955 1068556544 /nfs/dbraw/zinc/55/65/44/1068556544.db2.gz VWTGIINUSNKGKQ-UHFFFAOYSA-N 0 0 456.029 4.660 20 0 JJADRN COc1ccc([C@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)CC2(C)CCCCC2)cc1 ZINC001463888362 1068556567 /nfs/dbraw/zinc/55/65/67/1068556567.db2.gz PNRSAGGBWFGATE-PXDATVDWSA-N 0 0 459.652 4.962 20 0 JJADRN CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCc2ccccc2Oc2ccc(C)cc2)c1 ZINC001463888397 1068556690 /nfs/dbraw/zinc/55/66/90/1068556690.db2.gz PXAIXATWMBTAJR-UHFFFAOYSA-N 0 0 457.523 4.624 20 0 JJADRN CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CCCC1 ZINC001546142510 1068557165 /nfs/dbraw/zinc/55/71/65/1068557165.db2.gz LPCAULLKVJROGE-SJLPKXTDSA-N 0 0 466.598 4.626 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CCOCC1 ZINC001546142503 1068557212 /nfs/dbraw/zinc/55/72/12/1068557212.db2.gz LLGGITKKDXKLEB-UNMCSNQZSA-N 0 0 456.631 4.542 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)c2ccco2)cc1 ZINC001463893609 1068557545 /nfs/dbraw/zinc/55/75/45/1068557545.db2.gz LKJLURWUVYEAOF-QFIPXVFZSA-N 0 0 454.479 4.683 20 0 JJADRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463897131 1068558832 /nfs/dbraw/zinc/55/88/32/1068558832.db2.gz MSFCXXSHEKZIOO-AVRDEDQJSA-N 0 0 451.567 4.763 20 0 JJADRN C[C@@](O)(C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)c(Br)c1 ZINC001463897816 1068558937 /nfs/dbraw/zinc/55/89/37/1068558937.db2.gz PAUUZTMIWDLEJW-QFIPXVFZSA-N 0 0 454.299 4.749 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc3c2CCCC3)cc1 ZINC001463896985 1068558955 /nfs/dbraw/zinc/55/89/55/1068558955.db2.gz QSGYYGBHXLOARX-UHFFFAOYSA-N 0 0 452.601 4.877 20 0 JJADRN COc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C ZINC001463903073 1068560456 /nfs/dbraw/zinc/56/04/56/1068560456.db2.gz GMGBUAXBEBZROX-UHFFFAOYSA-N 0 0 450.560 4.706 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001463907789 1068561627 /nfs/dbraw/zinc/56/16/27/1068561627.db2.gz MLDRZGAUHONJBJ-RTBURBONSA-N 0 0 453.645 4.977 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001463907755 1068561650 /nfs/dbraw/zinc/56/16/50/1068561650.db2.gz MLDRZGAUHONJBJ-MOPGFXCFSA-N 0 0 453.645 4.977 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)c1nccn1C ZINC001463908476 1068561718 /nfs/dbraw/zinc/56/17/18/1068561718.db2.gz IRUUHLDVRHYFRY-LYPXWFNGSA-N 0 0 451.395 4.803 20 0 JJADRN Cc1ccc2[nH]c(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2c1Br ZINC001463907729 1068561727 /nfs/dbraw/zinc/56/17/27/1068561727.db2.gz NESCZMQDMDCZDH-UHFFFAOYSA-N 0 0 454.246 4.783 20 0 JJADRN CCCCc1ccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1 ZINC001463908582 1068562130 /nfs/dbraw/zinc/56/21/30/1068562130.db2.gz BSPWJCQSPGSTJI-XMMPIXPASA-N 0 0 456.633 4.583 20 0 JJADRN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCCN(c2ccccc2Cl)CC1 ZINC001463913419 1068563592 /nfs/dbraw/zinc/56/35/92/1068563592.db2.gz UUAKLTAPDMDYTF-UHFFFAOYSA-N 0 0 453.313 4.913 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001463914103 1068563736 /nfs/dbraw/zinc/56/37/36/1068563736.db2.gz KEKCDLPXZKZSRP-MAUKXSAKSA-N 0 0 477.005 4.811 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001463915660 1068564073 /nfs/dbraw/zinc/56/40/73/1068564073.db2.gz SJKPQWAJUZWDCX-QFBILLFUSA-N 0 0 451.972 4.530 20 0 JJADRN CCC[C@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)c1ccccc1 ZINC001463916864 1068564701 /nfs/dbraw/zinc/56/47/01/1068564701.db2.gz GQYVIVIAKZJKHI-UNMCSNQZSA-N 0 0 451.567 4.736 20 0 JJADRN CCC[C@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)c1ccccc1 ZINC001463916860 1068564900 /nfs/dbraw/zinc/56/49/00/1068564900.db2.gz GQYVIVIAKZJKHI-RBBKRZOGSA-N 0 0 451.567 4.736 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C)cc2)cc1Br ZINC001463917279 1068565506 /nfs/dbraw/zinc/56/55/06/1068565506.db2.gz VWZIGDJCEYRREL-UHFFFAOYSA-N 0 0 456.402 4.634 20 0 JJADRN CN(C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC001463919563 1068566100 /nfs/dbraw/zinc/56/61/00/1068566100.db2.gz NGZZVCQRMAYJRY-UHFFFAOYSA-N 0 0 450.482 4.580 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(C(F)(F)F)c[nH]c1=O)CC2 ZINC001463919730 1068566211 /nfs/dbraw/zinc/56/62/11/1068566211.db2.gz SVFGLXIKSZPHPM-OAQYLSRUSA-N 0 0 458.436 4.611 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@]3(C)Cc3ccc(F)cc3)cc2c1C ZINC001463927294 1068567683 /nfs/dbraw/zinc/56/76/83/1068567683.db2.gz XSELVCBYNPGAGG-DEOSSOPVSA-N 0 0 459.539 4.843 20 0 JJADRN COc1ccc([C@H](CNC(=O)[C@@H](C)N2CSCCSC2)c2c[nH]c3ccccc32)cc1 ZINC001463929490 1068568196 /nfs/dbraw/zinc/56/81/96/1068568196.db2.gz GAVVMTVXNWLRAO-UTKZUKDTSA-N 0 0 455.649 4.510 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)cs2)cc1 ZINC001463933844 1068569685 /nfs/dbraw/zinc/56/96/85/1068569685.db2.gz DAGUYTYYWRWTIY-FQEVSTJZSA-N 0 0 450.564 4.595 20 0 JJADRN CCC(CC)(CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C(=O)OC(C)(C)C ZINC001463932824 1068569699 /nfs/dbraw/zinc/56/96/99/1068569699.db2.gz VZOPKYIJGHAHML-UHFFFAOYSA-N 0 0 459.555 4.643 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2ccnc(NC(=O)C(C)C)c2)c2c[nH]c3ccccc32)cc1 ZINC001463933232 1068569745 /nfs/dbraw/zinc/56/97/45/1068569745.db2.gz RWWCSTMPEYOIQM-QFIPXVFZSA-N 0 0 456.546 4.728 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001463937040 1068570667 /nfs/dbraw/zinc/57/06/67/1068570667.db2.gz QPHJLWPFGQMZCE-YOEHRIQHSA-N 0 0 456.593 4.716 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCCOc1ccc(F)cc1 ZINC001463940932 1068571331 /nfs/dbraw/zinc/57/13/31/1068571331.db2.gz GYLHISUHVAXURJ-HXUWFJFHSA-N 0 0 456.461 4.551 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(Cc1c(C)cccc1C)CC(C)C ZINC001463943724 1068571655 /nfs/dbraw/zinc/57/16/55/1068571655.db2.gz YRRIKNMURMDYCH-UHFFFAOYSA-N 0 0 453.004 4.771 20 0 JJADRN Cc1sc(NC(=O)[C@@]2(N(C)C)COc3ccccc3C2)nc1-c1ccc(OC(F)F)cc1 ZINC001463947940 1068572339 /nfs/dbraw/zinc/57/23/39/1068572339.db2.gz QLVUMPHHQGNVGG-QHCPKHFHSA-N 0 0 459.518 4.594 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CCSc2ccccc21 ZINC001463948880 1068572618 /nfs/dbraw/zinc/57/26/18/1068572618.db2.gz HGJQJXWLEWKBNJ-HNMKQIAWSA-N 0 0 458.992 4.772 20 0 JJADRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC001463949985 1068572636 /nfs/dbraw/zinc/57/26/36/1068572636.db2.gz YDUQRBQEYWHRCW-IBGZPJMESA-N 0 0 457.502 4.632 20 0 JJADRN C=C/C=C/CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC001463949391 1068572827 /nfs/dbraw/zinc/57/28/27/1068572827.db2.gz YFZQZBWVYVICBA-SNAWJCMRSA-N 0 0 453.347 4.720 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cc(O)c2ccccc2c1 ZINC001463953130 1068573764 /nfs/dbraw/zinc/57/37/64/1068573764.db2.gz QWGDGZOGEAAUJH-JAIQZWGSSA-N 0 0 452.919 4.665 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC001463953661 1068573794 /nfs/dbraw/zinc/57/37/94/1068573794.db2.gz VZUNCXBGTKXOGL-DFHRPNOPSA-N 0 0 457.393 4.638 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC001463953663 1068573853 /nfs/dbraw/zinc/57/38/53/1068573853.db2.gz VZUNCXBGTKXOGL-RBISFHTESA-N 0 0 457.393 4.638 20 0 JJADRN CC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(OC)cc1 ZINC001463954607 1068574338 /nfs/dbraw/zinc/57/43/38/1068574338.db2.gz WIISYPBBTBMLLF-XPFMCRKWSA-N 0 0 458.967 4.695 20 0 JJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1 ZINC001463953957 1068574387 /nfs/dbraw/zinc/57/43/87/1068574387.db2.gz XYARAQROIZSCPP-UHFFFAOYSA-N 0 0 455.440 4.678 20 0 JJADRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)C[C@H]2Oc3ccccc3NC2=O)c1 ZINC001463955572 1068574829 /nfs/dbraw/zinc/57/48/29/1068574829.db2.gz HOQDGRDECBWNKM-IQGLISFBSA-N 0 0 457.530 4.525 20 0 JJADRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463954784 1068574906 /nfs/dbraw/zinc/57/49/06/1068574906.db2.gz XNIJLAWLKKSADN-KNWRRPMDSA-N 0 0 454.926 4.708 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC001463959219 1068575221 /nfs/dbraw/zinc/57/52/21/1068575221.db2.gz ALOKVMDOGBOVIC-KBPBESRZSA-N 0 0 459.203 4.602 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCC(c2cccc(F)c2F)CC1 ZINC001463962629 1068575811 /nfs/dbraw/zinc/57/58/11/1068575811.db2.gz VWMLHHZRFKIUCP-UHFFFAOYSA-N 0 0 450.732 4.949 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001463963383 1068576451 /nfs/dbraw/zinc/57/64/51/1068576451.db2.gz HIFJRKADVDCXHC-INIZCTEOSA-N 0 0 455.761 4.661 20 0 JJADRN Cc1ccc(F)c(CC(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c1 ZINC001463966752 1068577087 /nfs/dbraw/zinc/57/70/87/1068577087.db2.gz AZEWIGMGEJXNKC-UHFFFAOYSA-N 0 0 459.315 4.700 20 0 JJADRN COCCN(Cc1cccs1)C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001463966773 1068577142 /nfs/dbraw/zinc/57/71/42/1068577142.db2.gz WJYCBBLKLIGOTE-UHFFFAOYSA-N 0 0 455.527 4.720 20 0 JJADRN CCc1ccc(O)c(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c1 ZINC001463967912 1068577174 /nfs/dbraw/zinc/57/71/74/1068577174.db2.gz NJPSNCMRJRVMJQ-UHFFFAOYSA-N 0 0 457.324 4.591 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001546143095 1068577800 /nfs/dbraw/zinc/57/78/00/1068577800.db2.gz YIWYPIAZHNYOJJ-GBESFXJTSA-N 0 0 463.692 4.913 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001463968299 1068577863 /nfs/dbraw/zinc/57/78/63/1068577863.db2.gz BAPVCVVZARBPIT-OQWQLGHJSA-N 0 0 453.391 4.972 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC001463973696 1068579371 /nfs/dbraw/zinc/57/93/71/1068579371.db2.gz DXRDVJRKCWFIDB-VGSQKHLPSA-N 0 0 468.541 4.704 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001463977667 1068580200 /nfs/dbraw/zinc/58/02/00/1068580200.db2.gz QQTBLYIFHKFUGB-NVXWUHKLSA-N 0 0 456.530 4.681 20 0 JJADRN Cc1ccncc1[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001546143263 1068581192 /nfs/dbraw/zinc/58/11/92/1068581192.db2.gz DBKFNTORQLHXHH-NSHDSACASA-N 0 0 459.806 4.769 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001463985740 1068581240 /nfs/dbraw/zinc/58/12/40/1068581240.db2.gz SNGKMRZORSKTDO-AWEZNQCLSA-N 0 0 456.391 4.970 20 0 JJADRN O=C(NCc1cc(-c2ccccc2)no1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001463987134 1068581425 /nfs/dbraw/zinc/58/14/25/1068581425.db2.gz TXRAKYYAKXEGRT-UHFFFAOYSA-N 0 0 458.699 4.529 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)C3(c4cccc(Br)c4)CC(=O)C3)ccc2c1 ZINC001463985645 1068581530 /nfs/dbraw/zinc/58/15/30/1068581530.db2.gz DRKNBECBOIDZFZ-UHFFFAOYSA-N 0 0 452.348 4.870 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)CC1=O ZINC001463994249 1068583010 /nfs/dbraw/zinc/58/30/10/1068583010.db2.gz XFZJYHXEXRXUIT-SFHVURJKSA-N 0 0 452.938 4.929 20 0 JJADRN CCN(CCc1cccs1)C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001463995138 1068583568 /nfs/dbraw/zinc/58/35/68/1068583568.db2.gz FIHKMXZNEMURAS-AWEZNQCLSA-N 0 0 455.365 4.856 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463997826 1068583666 /nfs/dbraw/zinc/58/36/66/1068583666.db2.gz LHKOIWVYNGDGME-XXBNENTESA-N 0 0 453.583 4.602 20 0 JJADRN CCN(CCc1cccs1)C(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001463995547 1068583765 /nfs/dbraw/zinc/58/37/65/1068583765.db2.gz FIHKMXZNEMURAS-CQSZACIVSA-N 0 0 455.365 4.856 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c(F)c1Cl ZINC001464000842 1068584901 /nfs/dbraw/zinc/58/49/01/1068584901.db2.gz WVHUPIKACQRBGQ-FQEVSTJZSA-N 0 0 452.910 4.659 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3F)c2)cc1 ZINC001464003120 1068585620 /nfs/dbraw/zinc/58/56/20/1068585620.db2.gz OUOKNDHKKNLXLS-UHFFFAOYSA-N 0 0 457.523 4.547 20 0 JJADRN CN([C@@H](c1ncc[nH]1)c1ccc(F)cc1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464004277 1068586136 /nfs/dbraw/zinc/58/61/36/1068586136.db2.gz WQGJYCUMYPHUNL-LJQANCHMSA-N 0 0 455.477 4.551 20 0 JJADRN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(I)c(O)c1 ZINC001464003873 1068586178 /nfs/dbraw/zinc/58/61/78/1068586178.db2.gz LBHJZVHKOZJOBI-QGZVFWFLSA-N 0 0 453.276 4.717 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001464007982 1068587807 /nfs/dbraw/zinc/58/78/07/1068587807.db2.gz PIPDQZHQSOHNKL-NRFANRHFSA-N 0 0 451.958 4.651 20 0 JJADRN O=C(NCCCN1CCc2ccccc21)c1cccnc1Oc1ccc(Br)cc1 ZINC001464009904 1068588245 /nfs/dbraw/zinc/58/82/45/1068588245.db2.gz XXRCDXXOKVWSQZ-UHFFFAOYSA-N 0 0 452.352 4.819 20 0 JJADRN CC(=O)c1ccc(OS(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)c(Br)c1 ZINC001464010391 1068588304 /nfs/dbraw/zinc/58/83/04/1068588304.db2.gz PLOZJBGAZYCXSJ-UHFFFAOYSA-N 0 0 454.729 4.929 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3cc4cc(Br)ccc4s3)CC2)c1 ZINC001464015330 1068589282 /nfs/dbraw/zinc/58/92/82/1068589282.db2.gz LRDDVCFFCSAVMN-UHFFFAOYSA-N 0 0 457.393 4.961 20 0 JJADRN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001464016556 1068589936 /nfs/dbraw/zinc/58/99/36/1068589936.db2.gz ROIXPYIMDCAULT-OAHLLOKOSA-N 0 0 456.992 4.658 20 0 JJADRN COc1ccc2ccccc2c1CNC(=O)c1ccc2[nH]cc(I)c2c1 ZINC001464022303 1068591579 /nfs/dbraw/zinc/59/15/79/1068591579.db2.gz WMNOVUUTQGCDNJ-UHFFFAOYSA-N 0 0 456.283 4.864 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001464023152 1068591660 /nfs/dbraw/zinc/59/16/60/1068591660.db2.gz FMZMMFRNCWLEJR-DLBZAZTESA-N 0 0 456.029 4.557 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001464025902 1068592322 /nfs/dbraw/zinc/59/23/22/1068592322.db2.gz IIYPUMGLMSOFPV-ZLDLUXBVSA-N 0 0 452.420 4.653 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001464025569 1068592413 /nfs/dbraw/zinc/59/24/13/1068592413.db2.gz GZHCIDDJLCWTPA-UHFFFAOYSA-N 0 0 451.567 4.515 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCc3ccc(-c4cnn(C)c4)nc32)c1Cl ZINC001464027854 1068592812 /nfs/dbraw/zinc/59/28/12/1068592812.db2.gz GARLNZJVIVQKKX-UHFFFAOYSA-N 0 0 451.379 4.547 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001464032081 1068594536 /nfs/dbraw/zinc/59/45/36/1068594536.db2.gz LKHMHOBPFCLFKU-DEOSSOPVSA-N 0 0 456.612 4.682 20 0 JJADRN CC(C)COc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1Cl ZINC001464036134 1068595771 /nfs/dbraw/zinc/59/57/71/1068595771.db2.gz YAHPYMBNOLGCOV-UHFFFAOYSA-N 0 0 454.976 4.542 20 0 JJADRN CO[C@H](CS(=O)(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001464036769 1068595810 /nfs/dbraw/zinc/59/58/10/1068595810.db2.gz YLYQPKYVNVYMMI-RTWAWAEBSA-N 0 0 457.514 4.700 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464039477 1068596409 /nfs/dbraw/zinc/59/64/09/1068596409.db2.gz PZSOYIGLNXOHMN-IFXJQAMLSA-N 0 0 479.421 4.723 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@@H](C)Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC001464039877 1068596815 /nfs/dbraw/zinc/59/68/15/1068596815.db2.gz WVJDLGRWJBJBMP-OALUTQOASA-N 0 0 452.986 4.782 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@H](C)Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC001464039886 1068596962 /nfs/dbraw/zinc/59/69/62/1068596962.db2.gz WVJDLGRWJBJBMP-RTBURBONSA-N 0 0 452.986 4.782 20 0 JJADRN O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001464041430 1068597413 /nfs/dbraw/zinc/59/74/13/1068597413.db2.gz GJACPLDZKBFKJQ-UHFFFAOYSA-N 0 0 453.945 4.823 20 0 JJADRN O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC001464041398 1068597558 /nfs/dbraw/zinc/59/75/58/1068597558.db2.gz HLRRTYNFLZCOQY-GDLZYMKVSA-N 0 0 456.586 4.645 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@]3(C)Cc3ccc(OC(F)(F)F)cc3)ccc2O1 ZINC001464043353 1068598095 /nfs/dbraw/zinc/59/80/95/1068598095.db2.gz OUSNWKLRSQUEEV-YCRPNKLZSA-N 0 0 455.498 4.695 20 0 JJADRN C[C@@H](CO)NC(=O)c1cc(Cl)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464045408 1068598701 /nfs/dbraw/zinc/59/87/01/1068598701.db2.gz ZIOINFAZAMGWOX-HNNXBMFYSA-N 0 0 450.922 4.812 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464043556 1068598743 /nfs/dbraw/zinc/59/87/43/1068598743.db2.gz XZIGTLAAHICXPM-FCHUYYIVSA-N 0 0 473.997 4.608 20 0 JJADRN CCOCc1ccccc1CNC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001464046502 1068599079 /nfs/dbraw/zinc/59/90/79/1068599079.db2.gz HJALIEJUSMFNQJ-JOCHJYFZSA-N 0 0 452.551 4.722 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC001464045497 1068599108 /nfs/dbraw/zinc/59/91/08/1068599108.db2.gz HMQGWSQMJFZQPX-LJQANCHMSA-N 0 0 458.946 4.630 20 0 JJADRN CCCN(Cc1ccccc1Br)C(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC001464048012 1068599557 /nfs/dbraw/zinc/59/95/57/1068599557.db2.gz IEKBIAMZZIVAKY-UHFFFAOYSA-N 0 0 453.406 4.582 20 0 JJADRN Nc1c(Br)cc(Br)cc1C(=O)NCc1ccccc1C(F)(F)F ZINC001464050437 1068600522 /nfs/dbraw/zinc/60/05/22/1068600522.db2.gz CAJYPPIJDGCYCE-UHFFFAOYSA-N 0 0 452.068 4.743 20 0 JJADRN Cc1ccnc2c1cccc2S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001464053415 1068601103 /nfs/dbraw/zinc/60/11/03/1068601103.db2.gz IPFUBXDMPDLDRB-FGZHOGPDSA-N 0 0 481.618 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC001464057364 1068601763 /nfs/dbraw/zinc/60/17/63/1068601763.db2.gz KYVHVGNJMNHMRG-UHFFFAOYSA-N 0 0 455.368 4.726 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001464058068 1068602216 /nfs/dbraw/zinc/60/22/16/1068602216.db2.gz LZJKBJLMOBDHOK-GOSISDBHSA-N 0 0 457.036 4.696 20 0 JJADRN O=C(NCc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001464057661 1068602311 /nfs/dbraw/zinc/60/23/11/1068602311.db2.gz TZSMFERSPUCKAH-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC001464060515 1068603001 /nfs/dbraw/zinc/60/30/01/1068603001.db2.gz WBAKWVYTZZZEMZ-QWRGUYRKSA-N 0 0 453.240 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1 ZINC001464061564 1068603006 /nfs/dbraw/zinc/60/30/06/1068603006.db2.gz WXQJESNRCJNPRL-GOSISDBHSA-N 0 0 457.036 4.529 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCc2ccccc2F)CC1 ZINC001546143999 1068603585 /nfs/dbraw/zinc/60/35/85/1068603585.db2.gz AMBQCGGAUBVLOF-NRFANRHFSA-N 0 0 487.620 4.595 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1ccccc1-n1ccnc1)NC(=O)OC(C)(C)C ZINC001464073800 1068605724 /nfs/dbraw/zinc/60/57/24/1068605724.db2.gz NGNHGCCKAHIIIC-FQEVSTJZSA-N 0 0 450.539 4.866 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cc21 ZINC001464084118 1068608293 /nfs/dbraw/zinc/60/82/93/1068608293.db2.gz LOGVUGGXEHBCNE-UHFFFAOYSA-N 0 0 451.816 4.801 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cc1Cl ZINC001464084104 1068608370 /nfs/dbraw/zinc/60/83/70/1068608370.db2.gz LJBDPFNQOYHHEQ-UHFFFAOYSA-N 0 0 454.820 4.630 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC001464087598 1068610432 /nfs/dbraw/zinc/61/04/32/1068610432.db2.gz JNLLNJHFUWPNJM-CABCVRRESA-N 0 0 456.568 4.890 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1Cl)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001464089785 1068610849 /nfs/dbraw/zinc/61/08/49/1068610849.db2.gz KYYHWCCSZBVRAV-OAHLLOKOSA-N 0 0 451.169 4.518 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 ZINC001464094408 1068612605 /nfs/dbraw/zinc/61/26/05/1068612605.db2.gz VHZZCNCKCHXEKN-OFAXGOBFSA-N 0 0 458.624 4.882 20 0 JJADRN Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)c(C)s1 ZINC001464096517 1068613380 /nfs/dbraw/zinc/61/33/80/1068613380.db2.gz QQGAPRDLEDOLRE-VBKZILBWSA-N 0 0 457.596 4.634 20 0 JJADRN O=S(=O)(N[C@@H]1CCCSc2ccc(Br)cc21)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001464106370 1068617513 /nfs/dbraw/zinc/61/75/13/1068617513.db2.gz GTODWRDSVVDXEA-KVSKMBFKSA-N 0 0 456.402 4.991 20 0 JJADRN O=S(=O)(c1cc(Br)ccc1Cl)N1CCC2(CCc3ccccc3O2)CC1 ZINC001464109317 1068618021 /nfs/dbraw/zinc/61/80/21/1068618021.db2.gz FQZZVAZJSPHFNN-UHFFFAOYSA-N 0 0 456.789 4.651 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC001464110151 1068618225 /nfs/dbraw/zinc/61/82/25/1068618225.db2.gz WMAFZSORNXSKST-RRQZXNHTSA-N 0 0 450.579 4.625 20 0 JJADRN O=C(CCc1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464114641 1068619481 /nfs/dbraw/zinc/61/94/81/1068619481.db2.gz HOWZNOVRRQGPED-UHFFFAOYSA-N 0 0 458.402 4.641 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1C(C)C ZINC001464119559 1068621230 /nfs/dbraw/zinc/62/12/30/1068621230.db2.gz BIDALJDENFKVIM-HSZRJFAPSA-N 0 0 459.608 4.757 20 0 JJADRN CC1(C)Cc2cccc(S(=O)(=O)N[C@H]3CCCCc4cc(Br)ccc43)c2O1 ZINC001464123833 1068623128 /nfs/dbraw/zinc/62/31/28/1068623128.db2.gz LZIFSZUHPKQPME-SFHVURJKSA-N 0 0 450.398 4.909 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001464124483 1068623157 /nfs/dbraw/zinc/62/31/57/1068623157.db2.gz NGQXFQFYRIOYID-INIZCTEOSA-N 0 0 456.605 4.615 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC001464124479 1068623736 /nfs/dbraw/zinc/62/37/36/1068623736.db2.gz RLTSIAJVBMRNNT-HAVVHWLPSA-N 0 0 456.533 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)C2 ZINC001464127095 1068625444 /nfs/dbraw/zinc/62/54/44/1068625444.db2.gz BYPFQPJVRLZWBU-GIYDNNGJSA-N 0 0 465.997 4.520 20 0 JJADRN COc1cc(Br)cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC001464129319 1068626520 /nfs/dbraw/zinc/62/65/20/1068626520.db2.gz IMCKDTDREAYYME-GOSISDBHSA-N 0 0 455.755 4.817 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cc1Br ZINC001464130443 1068627125 /nfs/dbraw/zinc/62/71/25/1068627125.db2.gz WHUOYXBZLQFPGB-ODXCJYRJSA-N 0 0 451.748 4.872 20 0 JJADRN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC001464130848 1068627262 /nfs/dbraw/zinc/62/72/62/1068627262.db2.gz YPDCCAQJYPPIOW-QPPBQGQZSA-N 0 0 459.993 4.636 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1nc(C(F)(F)F)n2ccccc12 ZINC001464134030 1068628635 /nfs/dbraw/zinc/62/86/35/1068628635.db2.gz YUTVGVXMSRFZIF-MRXNPFEDSA-N 0 0 454.855 4.713 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136496 1068629969 /nfs/dbraw/zinc/62/99/69/1068629969.db2.gz KSBDTGKFGVVZJN-WOJBJXKFSA-N 0 0 450.341 4.579 20 0 JJADRN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3C)CC2)c(C)c1 ZINC001464138768 1068630590 /nfs/dbraw/zinc/63/05/90/1068630590.db2.gz NINHKHOPUOORAW-UHFFFAOYSA-N 0 0 457.821 4.539 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccc(Br)o1 ZINC001464138714 1068630684 /nfs/dbraw/zinc/63/06/84/1068630684.db2.gz ULUGOFAOECUBEU-AWEZNQCLSA-N 0 0 459.178 4.658 20 0 JJADRN Cc1ccc(SCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 ZINC001464144358 1068633171 /nfs/dbraw/zinc/63/31/71/1068633171.db2.gz FDNNISXAGFZFDB-QFIPXVFZSA-N 0 0 453.608 4.821 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(-c3nnco3)cc2)cc1 ZINC001464143889 1068633249 /nfs/dbraw/zinc/63/32/49/1068633249.db2.gz QYNUWVIIIGKWTI-UHFFFAOYSA-N 0 0 451.529 4.544 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)NCC/C=C\c1ccc(Br)cc1 ZINC001464144788 1068633746 /nfs/dbraw/zinc/63/37/46/1068633746.db2.gz JEJABUOBNRRGCG-IWQZZHSRSA-N 0 0 459.203 4.735 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001464146554 1068633798 /nfs/dbraw/zinc/63/37/98/1068633798.db2.gz LQIKBFGISNWZSH-CYBMUJFWSA-N 0 0 454.283 4.907 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001464150467 1068634524 /nfs/dbraw/zinc/63/45/24/1068634524.db2.gz WXUUSVGDHSLEBF-GFCCVEGCSA-N 0 0 450.732 4.949 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c2ccc(Br)cc2O1 ZINC001464153806 1068635109 /nfs/dbraw/zinc/63/51/09/1068635109.db2.gz SYPOFFIZAUTMOS-CYBMUJFWSA-N 0 0 452.370 4.654 20 0 JJADRN C[C@@H](NC(=O)Cc1cccc(N2CCCC2=O)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464157394 1068636425 /nfs/dbraw/zinc/63/64/25/1068636425.db2.gz GTDPKHWAGAGILV-LJQANCHMSA-N 0 0 456.546 4.877 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)nn1 ZINC001464157777 1068637096 /nfs/dbraw/zinc/63/70/96/1068637096.db2.gz IWQWPWCFQJVCNO-GOSISDBHSA-N 0 0 454.534 4.965 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCCc1ccc(N2CCCCC2)cc1 ZINC001464159728 1068637711 /nfs/dbraw/zinc/63/77/11/1068637711.db2.gz MCAKLRCMXHJBKW-UHFFFAOYSA-N 0 0 454.924 4.905 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162237 1068638313 /nfs/dbraw/zinc/63/83/13/1068638313.db2.gz WJOYINCDIRUKDJ-HXUWFJFHSA-N 0 0 458.562 4.654 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)cc1 ZINC001464164093 1068639698 /nfs/dbraw/zinc/63/96/98/1068639698.db2.gz CXWXMDRKZQNJTR-UHFFFAOYSA-N 0 0 451.592 4.673 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163813 1068639744 /nfs/dbraw/zinc/63/97/44/1068639744.db2.gz CPAKFVYHFLPDDX-CLOONOSVSA-N 0 0 458.562 4.791 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)cn2)c1 ZINC001464166492 1068640915 /nfs/dbraw/zinc/64/09/15/1068640915.db2.gz KOBYQHKDUSRSQL-LEWJYISDSA-N 0 0 454.567 4.634 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)cn2)c1 ZINC001464166503 1068640926 /nfs/dbraw/zinc/64/09/26/1068640926.db2.gz KOBYQHKDUSRSQL-SFTDATJTSA-N 0 0 454.567 4.634 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 ZINC001464166941 1068640958 /nfs/dbraw/zinc/64/09/58/1068640958.db2.gz PESXHAODSCETDE-QHCPKHFHSA-N 0 0 456.627 4.952 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)cn2)c1 ZINC001464166496 1068640964 /nfs/dbraw/zinc/64/09/64/1068640964.db2.gz KOBYQHKDUSRSQL-NHCUHLMSSA-N 0 0 454.567 4.634 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC001464169187 1068641532 /nfs/dbraw/zinc/64/15/32/1068641532.db2.gz YTLVMQHPSYWCBO-AREMUKBSSA-N 0 0 455.599 4.854 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc2)cc1 ZINC001464167891 1068641557 /nfs/dbraw/zinc/64/15/57/1068641557.db2.gz OTQJTIQCCLWAEL-UHFFFAOYSA-N 0 0 457.621 4.708 20 0 JJADRN C[S@](=O)(=NS(=O)(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC001464171187 1068642166 /nfs/dbraw/zinc/64/21/66/1068642166.db2.gz DSBCLSOKYYPFRW-GDLZYMKVSA-N 0 0 459.618 4.633 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@]1(C)Cc1ccc(C)cc1 ZINC001464170964 1068642309 /nfs/dbraw/zinc/64/23/09/1068642309.db2.gz IPKURNQYFHWVGF-OAQYLSRUSA-N 0 0 452.414 4.942 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC001464172209 1068642895 /nfs/dbraw/zinc/64/28/95/1068642895.db2.gz MHTGJTLUAJXXOI-UHFFFAOYSA-N 0 0 457.257 4.669 20 0 JJADRN NC(=O)CCCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1Cl ZINC001464174788 1068642908 /nfs/dbraw/zinc/64/29/08/1068642908.db2.gz PGKXDYXCDVEPGG-CCEZHUSRSA-N 0 0 451.929 4.900 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001464175783 1068643579 /nfs/dbraw/zinc/64/35/79/1068643579.db2.gz ODCYPMALXRFTNT-LJQANCHMSA-N 0 0 459.631 4.506 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC001464177674 1068644295 /nfs/dbraw/zinc/64/42/95/1068644295.db2.gz UWCHFVFHBWCCOY-WOJBJXKFSA-N 0 0 457.574 4.555 20 0 JJADRN COc1c(N)c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(Cl)c1Br 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C[C@@H]1CCCC[C@H]1OCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001464246063 1068674148 /nfs/dbraw/zinc/67/41/48/1068674148.db2.gz YBLGZWYZUAVPEL-DENIHFKCSA-N 0 0 450.608 4.738 20 0 JJADRN CCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001464254202 1068677159 /nfs/dbraw/zinc/67/71/59/1068677159.db2.gz GUJMRGCJVIFFNX-UHFFFAOYSA-N 0 0 450.757 4.851 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC001464253907 1068677185 /nfs/dbraw/zinc/67/71/85/1068677185.db2.gz MKFFDFJZIHADFY-KRWDZBQOSA-N 0 0 456.539 4.968 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC001464255608 1068677677 /nfs/dbraw/zinc/67/76/77/1068677677.db2.gz SJLKIURZWVPPHE-QFIPXVFZSA-N 0 0 450.579 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)C1CCCCCC1 ZINC001464256759 1068677796 /nfs/dbraw/zinc/67/77/96/1068677796.db2.gz LDMTVTLHARHQTE-HSZRJFAPSA-N 0 0 458.647 4.942 20 0 JJADRN O=C(c1cc(Br)ncc1Br)N1CCC(Cc2cccc(F)c2)CC1 ZINC001464255691 1068677904 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ZINC001464279723 1068687919 /nfs/dbraw/zinc/68/79/19/1068687919.db2.gz AQIWRMNPEQTHKD-UHFFFAOYSA-N 0 0 453.857 4.607 20 0 JJADRN CCOc1cccc(CCC(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)c1 ZINC001464279742 1068687940 /nfs/dbraw/zinc/68/79/40/1068687940.db2.gz BNNWAGMLAHARNU-UHFFFAOYSA-N 0 0 452.501 4.964 20 0 JJADRN CCOc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)ccc1OC(F)F ZINC001464280270 1068688449 /nfs/dbraw/zinc/68/84/49/1068688449.db2.gz FQHHPNRKRNHPSN-UHFFFAOYSA-N 0 0 452.454 4.669 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001464281383 1068690128 /nfs/dbraw/zinc/69/01/28/1068690128.db2.gz HSUKMSGYPVWSRU-WOJBJXKFSA-N 0 0 469.582 4.972 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)ccc1OCCC(C)C ZINC001464286276 1068691610 /nfs/dbraw/zinc/69/16/10/1068691610.db2.gz WLPJDBYSAFYIFC-SJLPKXTDSA-N 0 0 452.617 4.607 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC001464286502 1068692107 /nfs/dbraw/zinc/69/21/07/1068692107.db2.gz ZPGYSKZPVDNGNC-UHFFFAOYSA-N 0 0 453.608 4.528 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC001464289445 1068692824 /nfs/dbraw/zinc/69/28/24/1068692824.db2.gz DFLZQUYYSRZWNO-UHFFFAOYSA-N 0 0 457.626 4.708 20 0 JJADRN Cc1ccc(Cc2cnc(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)s2)cc1F ZINC001464289296 1068692890 /nfs/dbraw/zinc/69/28/90/1068692890.db2.gz CSNGHEDTHNMDKS-UHFFFAOYSA-N 0 0 454.523 4.944 20 0 JJADRN CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC001464290804 1068693369 /nfs/dbraw/zinc/69/33/69/1068693369.db2.gz AWVFCIFGMCPGRH-OAHLLOKOSA-N 0 0 456.511 4.978 20 0 JJADRN CN(C)c1ncnc2c1cc(C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)n2C ZINC001464292200 1068694307 /nfs/dbraw/zinc/69/43/07/1068694307.db2.gz FPGSHKXSUUGFDL-UHFFFAOYSA-N 0 0 454.361 4.861 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001464293001 1068694914 /nfs/dbraw/zinc/69/49/14/1068694914.db2.gz LTSWICWVFZQWNA-UHFFFAOYSA-N 0 0 452.285 4.850 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)ccc1F ZINC001464299371 1068696942 /nfs/dbraw/zinc/69/69/42/1068696942.db2.gz NWPBMZSYGZNSKI-KRWDZBQOSA-N 0 0 459.461 4.588 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC001464301232 1068697749 /nfs/dbraw/zinc/69/77/49/1068697749.db2.gz QKUPFYRSOZSGFE-VBKZILBWSA-N 0 0 456.391 4.776 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1csc(NC2CCCCC2)n1 ZINC001464302763 1068698402 /nfs/dbraw/zinc/69/84/02/1068698402.db2.gz UJQFGAHTLKRZEH-UHFFFAOYSA-N 0 0 452.580 4.671 20 0 JJADRN Cc1ccc(Cc2cnc(NC(=O)[C@@H](F)C3CN(C(=O)OC(C)(C)C)C3)s2)cc1Cl ZINC001464306876 1068699613 /nfs/dbraw/zinc/69/96/13/1068699613.db2.gz XUXKUHCGDZLXPI-KRWDZBQOSA-N 0 0 453.967 4.839 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)nc1)c1c(O)cnc2c(Br)cccc21 ZINC001464309435 1068700189 /nfs/dbraw/zinc/70/01/89/1068700189.db2.gz KWVDRMRNMZBMGH-UHFFFAOYSA-N 0 0 450.292 4.929 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC001464313791 1068701627 /nfs/dbraw/zinc/70/16/27/1068701627.db2.gz UCCHAQSLHPSLKF-OAQYLSRUSA-N 0 0 457.640 4.662 20 0 JJADRN CCC[C@@H]1CCC[C@H]1C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001464315553 1068702261 /nfs/dbraw/zinc/70/22/61/1068702261.db2.gz KYEIJWROXKHJCM-VQIMIIECSA-N 0 0 450.505 4.616 20 0 JJADRN CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001464317290 1068702583 /nfs/dbraw/zinc/70/25/83/1068702583.db2.gz HVNHOSSMCBRYNO-MJGOQNOKSA-N 0 0 458.400 4.599 20 0 JJADRN Cc1csc(Sc2ccc(NC(=O)[C@H](C)N3CCN(c4ccc(F)cc4)CC3)cc2)n1 ZINC001464319853 1068704235 /nfs/dbraw/zinc/70/42/35/1068704235.db2.gz JPHYTGXKOWLWCO-KRWDZBQOSA-N 0 0 456.612 4.891 20 0 JJADRN C[C@H](NC(=O)Cc1scnc1-c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC001464320229 1068704675 /nfs/dbraw/zinc/70/46/75/1068704675.db2.gz VFXSPBFYKGITBW-ZDUSSCGKSA-N 0 0 459.365 4.764 20 0 JJADRN Cc1cc(S(=O)(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)ccc1Cl ZINC001464322236 1068705057 /nfs/dbraw/zinc/70/50/57/1068705057.db2.gz TWNOQNJJCJMRRJ-MRXNPFEDSA-N 0 0 450.988 4.541 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C[S@](=O)c2ccc(Cl)cc2)cc1Cl ZINC001464323747 1068706100 /nfs/dbraw/zinc/70/61/00/1068706100.db2.gz VVRSUASHHRJFSH-ONSXPEOJSA-N 0 0 453.391 4.754 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)c(F)cc2N)cc1Cl ZINC001464323787 1068706146 /nfs/dbraw/zinc/70/61/46/1068706146.db2.gz WHNPTXCTDMWAOG-UHFFFAOYSA-N 0 0 456.743 4.995 20 0 JJADRN O=S(=O)(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC001464326061 1068706703 /nfs/dbraw/zinc/70/67/03/1068706703.db2.gz HHKOPKBXTWLDEH-DOMZBBRYSA-N 0 0 455.285 4.606 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(OCc4ccccn4)c3)[nH]n2)cc1OC ZINC001464325618 1068706787 /nfs/dbraw/zinc/70/67/87/1068706787.db2.gz DFKDPUZUWVBIRW-QGZVFWFLSA-N 0 0 458.518 4.559 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001464327825 1068707261 /nfs/dbraw/zinc/70/72/61/1068707261.db2.gz LWWANHWVHPQTJI-UHFFFAOYSA-N 0 0 458.549 4.743 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 ZINC001464329893 1068708001 /nfs/dbraw/zinc/70/80/01/1068708001.db2.gz ICTOOMDWJMCPIB-LMMUWCHVSA-N 0 0 454.611 4.585 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001464332260 1068709290 /nfs/dbraw/zinc/70/92/90/1068709290.db2.gz INASAVBHHQQGTA-UHFFFAOYSA-N 0 0 454.958 4.709 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001464332827 1068709697 /nfs/dbraw/zinc/70/96/97/1068709697.db2.gz WZZJJTVEMGDGLQ-LEWJYISDSA-N 0 0 457.615 4.827 20 0 JJADRN O=C(CCc1cccc(F)c1Br)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC001464332867 1068709724 /nfs/dbraw/zinc/70/97/24/1068709724.db2.gz XXMPFVGXZJQGGV-UHFFFAOYSA-N 0 0 455.318 4.580 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1 ZINC001464333733 1068710086 /nfs/dbraw/zinc/71/00/86/1068710086.db2.gz DVADAHYJBQXGPO-OAHLLOKOSA-N 0 0 453.391 4.740 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1cc(O)ccc1Cl ZINC001464336495 1068710597 /nfs/dbraw/zinc/71/05/97/1068710597.db2.gz CGXYLDPHHSNILR-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC001464335694 1068710713 /nfs/dbraw/zinc/71/07/13/1068710713.db2.gz BMWAGIOYSJIEER-HZPDHXFCSA-N 0 0 457.017 4.717 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N1CCC[C@H](OCC(F)(F)F)C1)OCC3 ZINC001464337842 1068711361 /nfs/dbraw/zinc/71/13/61/1068711361.db2.gz SFNDGTFDFVQQOW-SBUREZEXSA-N 0 0 452.517 4.868 20 0 JJADRN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001464338647 1068711918 /nfs/dbraw/zinc/71/19/18/1068711918.db2.gz MCCSOADJBAHRBM-UHFFFAOYSA-N 0 0 453.770 4.862 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC001464339839 1068712445 /nfs/dbraw/zinc/71/24/45/1068712445.db2.gz RYYBGEKNHZHEOZ-YAFFLKOPSA-N 0 0 455.599 4.699 20 0 JJADRN CN(C)c1ccc(NC(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1 ZINC001464341801 1068712943 /nfs/dbraw/zinc/71/29/43/1068712943.db2.gz YVFRHOZIWLMHSK-UHFFFAOYSA-N 0 0 450.461 4.716 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(F)cc1Cl ZINC001464344261 1068713576 /nfs/dbraw/zinc/71/35/76/1068713576.db2.gz IHSPWYPNKNIUQC-APWZRJJASA-N 0 0 453.963 4.907 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c(F)c1F ZINC001464346649 1068713994 /nfs/dbraw/zinc/71/39/94/1068713994.db2.gz DKQHBKMWSYLBHB-LJQANCHMSA-N 0 0 452.523 4.827 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(F)cc1Cl ZINC001464344303 1068714089 /nfs/dbraw/zinc/71/40/89/1068714089.db2.gz IHSPWYPNKNIUQC-QFBILLFUSA-N 0 0 453.963 4.907 20 0 JJADRN Cc1noc(COc2ccc(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cn2)n1 ZINC001464346947 1068714375 /nfs/dbraw/zinc/71/43/75/1068714375.db2.gz KTDGYGDABBMJRI-UHFFFAOYSA-N 0 0 450.882 4.837 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1C ZINC001464348178 1068714557 /nfs/dbraw/zinc/71/45/57/1068714557.db2.gz GXFQCTIHOKLDSY-UHFFFAOYSA-N 0 0 456.568 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC001464349059 1068714902 /nfs/dbraw/zinc/71/49/02/1068714902.db2.gz JDAWCIRRETUXOJ-QFIPXVFZSA-N 0 0 458.530 4.759 20 0 JJADRN COc1cccc(C[C@@H]2CCCN2C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)c1 ZINC001464350686 1068715463 /nfs/dbraw/zinc/71/54/63/1068715463.db2.gz YPLPPKNTIHIZSJ-FQEVSTJZSA-N 0 0 454.567 4.679 20 0 JJADRN CCOc1ccc(NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)cc1F ZINC001464353442 1068716650 /nfs/dbraw/zinc/71/66/50/1068716650.db2.gz ROMJUHZAKIPDQM-CQSZACIVSA-N 0 0 455.271 4.880 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Oc2ccc(I)c(C(C)(C)C)c2)cc1 ZINC001464353174 1068716685 /nfs/dbraw/zinc/71/66/85/1068716685.db2.gz KIYAIOZNCUNWMT-UHFFFAOYSA-N 0 0 458.317 4.559 20 0 JJADRN COc1cc2nc(C(=O)Nc3ccc(Oc4cc(C)cc(C)c4)cc3)c(=O)n(C)c2cc1OC ZINC001464354262 1068717203 /nfs/dbraw/zinc/71/72/03/1068717203.db2.gz ZHIKSDLKLNGKDW-UHFFFAOYSA-N 0 0 459.502 4.612 20 0 JJADRN O=S(=O)(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc2ccccc2c1Br ZINC001464355809 1068717696 /nfs/dbraw/zinc/71/76/96/1068717696.db2.gz BDJYWTKIWWDSOS-LJQANCHMSA-N 0 0 456.365 4.519 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc1 ZINC001464356418 1068717778 /nfs/dbraw/zinc/71/77/78/1068717778.db2.gz OJTZTBAGGFATBQ-UHFFFAOYSA-N 0 0 454.458 4.974 20 0 JJADRN Cc1ccc([C@@H](CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)N2CCOCC2)cc1 ZINC001464358292 1068718228 /nfs/dbraw/zinc/71/82/28/1068718228.db2.gz UKVVYFCVMVIRGD-QGZVFWFLSA-N 0 0 455.407 4.516 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CC(C)(C)CC(F)F)cc2)cc1OC ZINC001464357547 1068718506 /nfs/dbraw/zinc/71/85/06/1068718506.db2.gz DCKXLAATBOALTC-UHFFFAOYSA-N 0 0 456.511 4.515 20 0 JJADRN O=S(=O)(c1cscc1Br)N1CCCCc2ccc(Br)cc21 ZINC001464363148 1068720077 /nfs/dbraw/zinc/72/00/77/1068720077.db2.gz HPDRNONJIMHRSD-UHFFFAOYSA-N 0 0 451.205 4.805 20 0 JJADRN O=S(=O)(NCCc1cc(Cl)cc(Br)c1)c1ccc(CC(F)(F)F)cc1 ZINC001464369566 1068721236 /nfs/dbraw/zinc/72/12/36/1068721236.db2.gz WBJBKXIWMVINOG-UHFFFAOYSA-N 0 0 456.711 4.728 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1C ZINC001464372978 1068721594 /nfs/dbraw/zinc/72/15/94/1068721594.db2.gz APDKJFVAFWGPDH-UHFFFAOYSA-N 0 0 455.365 4.603 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001464371359 1068721796 /nfs/dbraw/zinc/72/17/96/1068721796.db2.gz HWDNALSASAEGKO-DEOSSOPVSA-N 0 0 454.933 4.844 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ncc(Br)s2)C1 ZINC001464373699 1068722176 /nfs/dbraw/zinc/72/21/76/1068722176.db2.gz MLGZBSIFLZHQOS-HUUCEWRRSA-N 0 0 466.401 4.570 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2ncc(Br)s2)cc1Br ZINC001464380264 1068725173 /nfs/dbraw/zinc/72/51/73/1068725173.db2.gz YGWJTBRRZQIXSZ-UHFFFAOYSA-N 0 0 454.969 4.991 20 0 JJADRN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001464380026 1068725192 /nfs/dbraw/zinc/72/51/92/1068725192.db2.gz WPDNZJUAZCTAEI-KNQAVFIVSA-N 0 0 455.599 4.993 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)c2cnn(CC(F)F)c2)ccc1F ZINC001464380286 1068725219 /nfs/dbraw/zinc/72/52/19/1068725219.db2.gz XODUMUWJEMIVBB-UHFFFAOYSA-N 0 0 459.877 4.520 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Oc1c(C)cccc1C ZINC001464380761 1068725246 /nfs/dbraw/zinc/72/52/46/1068725246.db2.gz BMZQPPRIAFLAFD-LJQANCHMSA-N 0 0 456.539 4.881 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001464381402 1068725801 /nfs/dbraw/zinc/72/58/01/1068725801.db2.gz OZWALFCRNYUHJL-GHMZBOCLSA-N 0 0 456.383 4.942 20 0 JJADRN CCCc1c(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cnn1C1CCCC1 ZINC001464382344 1068726167 /nfs/dbraw/zinc/72/61/67/1068726167.db2.gz QEBQNMNCNPWFKZ-KRWDZBQOSA-N 0 0 459.432 4.970 20 0 JJADRN C[C@H](Cc1cncc2ccccc21)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001464383716 1068726905 /nfs/dbraw/zinc/72/69/05/1068726905.db2.gz 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CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)[C@H]2C1 ZINC001464474802 1068760160 /nfs/dbraw/zinc/76/01/60/1068760160.db2.gz GYVDRNOAOOLBGD-PMOLBWCYSA-N 0 0 455.942 4.644 20 0 JJADRN O=C(c1ccc(I)c(O)c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001464475997 1068760236 /nfs/dbraw/zinc/76/02/36/1068760236.db2.gz LPGDHWFPZSCDTP-LJQANCHMSA-N 0 0 455.295 4.785 20 0 JJADRN COc1ccc2ccccc2c1CCNS(=O)(=O)c1c(C)sc(C)c1Br ZINC001464478707 1068760703 /nfs/dbraw/zinc/76/07/03/1068760703.db2.gz WPXSRPJXNNCVOA-UHFFFAOYSA-N 0 0 454.411 4.810 20 0 JJADRN Cc1ccc(C(C)C)c(OCCC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c1 ZINC001464480257 1068761388 /nfs/dbraw/zinc/76/13/88/1068761388.db2.gz ZELWYZYCCKHTQO-UHFFFAOYSA-N 0 0 458.046 4.869 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)S(=O)(=O)[C@H]1CCOC1 ZINC001464483123 1068762314 /nfs/dbraw/zinc/76/23/14/1068762314.db2.gz GZSRJBKGFKZHOY-HNNXBMFYSA-N 0 0 450.771 4.990 20 0 JJADRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001464484791 1068763082 /nfs/dbraw/zinc/76/30/82/1068763082.db2.gz CDWOFFGWXZWMRX-QHCPKHFHSA-N 0 0 454.567 4.645 20 0 JJADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C1 ZINC001464490095 1068764621 /nfs/dbraw/zinc/76/46/21/1068764621.db2.gz SVOPLOVKJNCCKS-HOTGVXAUSA-N 0 0 451.995 4.844 20 0 JJADRN O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC001464490436 1068764674 /nfs/dbraw/zinc/76/46/74/1068764674.db2.gz CGESPNUTDKTSBJ-UHFFFAOYSA-N 0 0 451.889 4.706 20 0 JJADRN Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001464493692 1068765665 /nfs/dbraw/zinc/76/56/65/1068765665.db2.gz WSRKVVVYSAAXIL-OAQYLSRUSA-N 0 0 457.361 4.581 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)Cc3cc4ccccc4c(=O)[nH]3)c(C(F)(F)F)c2)n1 ZINC001464500515 1068766645 /nfs/dbraw/zinc/76/66/45/1068766645.db2.gz BXCFGBFDSQNLTM-UHFFFAOYSA-N 0 0 454.452 4.621 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1cn2c(n1)CCCC2 ZINC001464498948 1068766797 /nfs/dbraw/zinc/76/67/97/1068766797.db2.gz VESHTAWRMYQDBN-UHFFFAOYSA-N 0 0 456.468 4.980 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3cc4c([nH]c3=O)CCCCC4)c(C(F)(F)F)c2)n1 ZINC001464505211 1068768048 /nfs/dbraw/zinc/76/80/48/1068768048.db2.gz PELDMRSZUSSLPP-UHFFFAOYSA-N 0 0 458.484 4.807 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)c3c[nH]c4cc(F)ccc34)c(C(F)(F)F)c2)n1 ZINC001464505390 1068768260 /nfs/dbraw/zinc/76/82/60/1068768260.db2.gz QJVUFKBQTZLIDJ-UHFFFAOYSA-N 0 0 458.415 4.627 20 0 JJADRN C[C@H](Cc1cncc2ccccc21)C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001464515803 1068770046 /nfs/dbraw/zinc/77/00/46/1068770046.db2.gz PIPOMVXCKWDHIA-GOSISDBHSA-N 0 0 450.970 4.833 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001464520293 1068771305 /nfs/dbraw/zinc/77/13/05/1068771305.db2.gz HCHLHMVKPARABA-UHFFFAOYSA-N 0 0 452.624 4.736 20 0 JJADRN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001464521281 1068771687 /nfs/dbraw/zinc/77/16/87/1068771687.db2.gz SOCMQZLOMVJDNH-FNNTWHHHSA-N 0 0 452.457 4.846 20 0 JJADRN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001464521276 1068771868 /nfs/dbraw/zinc/77/18/68/1068771868.db2.gz SOCMQZLOMVJDNH-FLVGQNKLSA-N 0 0 452.457 4.846 20 0 JJADRN COc1cccc(CN(CC(C)C)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 ZINC001464521979 1068772375 /nfs/dbraw/zinc/77/23/75/1068772375.db2.gz OLFUVQGQXTVTRH-UHFFFAOYSA-N 0 0 452.624 4.978 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C12CCC(C(=O)OC)(CC1)C2 ZINC001546147668 1068774520 /nfs/dbraw/zinc/77/45/20/1068774520.db2.gz TYHNMAVWDZDCRI-BVVFMGSASA-N 0 0 452.517 4.646 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(NCc3cnn(C)c3)cc2)cc1 ZINC001464537497 1068775569 /nfs/dbraw/zinc/77/55/69/1068775569.db2.gz AICHKBWNVCRTQG-AREMUKBSSA-N 0 0 458.537 4.894 20 0 JJADRN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC001464541020 1068776810 /nfs/dbraw/zinc/77/68/10/1068776810.db2.gz NQNAUQFNWMJDTM-GOSISDBHSA-N 0 0 457.857 4.705 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC001464541496 1068776893 /nfs/dbraw/zinc/77/68/93/1068776893.db2.gz KTOHVCNJRFNVHL-UHFFFAOYSA-N 0 0 455.498 4.526 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)c2)no1 ZINC001464544391 1068777294 /nfs/dbraw/zinc/77/72/94/1068777294.db2.gz NDEYHSYUGOMUAM-INIZCTEOSA-N 0 0 454.521 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)CC1 ZINC001464548260 1068778339 /nfs/dbraw/zinc/77/83/39/1068778339.db2.gz XAVPRKGUZBHMBD-VQTJNVASSA-N 0 0 450.526 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)CC1 ZINC001464549895 1068778879 /nfs/dbraw/zinc/77/88/79/1068778879.db2.gz ZIFZWBCPMBDLTE-NRFANRHFSA-N 0 0 457.615 4.554 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC001464551889 1068779592 /nfs/dbraw/zinc/77/95/92/1068779592.db2.gz XCFKYTIWAGEIMJ-GHTZIAJQSA-N 0 0 456.583 4.668 20 0 JJADRN CC(C)[C@@H](C(=O)NCCOC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001464553939 1068780037 /nfs/dbraw/zinc/78/00/37/1068780037.db2.gz WGXBBWHIWOMEHZ-DEOSSOPVSA-N 0 0 452.595 4.823 20 0 JJADRN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 ZINC001464555026 1068780159 /nfs/dbraw/zinc/78/01/59/1068780159.db2.gz VXWLVUOXJYVTKV-UHFFFAOYSA-N 0 0 452.938 4.746 20 0 JJADRN Cc1cc(Br)cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1N ZINC001464556374 1068780499 /nfs/dbraw/zinc/78/04/99/1068780499.db2.gz NYGXGNFJXGGPQO-UHFFFAOYSA-N 0 0 450.336 4.795 20 0 JJADRN COc1ccc(I)c(NC(=O)Cc2scnc2-c2ccccc2)c1 ZINC001464556330 1068780612 /nfs/dbraw/zinc/78/06/12/1068780612.db2.gz IAEPWQNENYXKRQ-UHFFFAOYSA-N 0 0 450.301 4.605 20 0 JJADRN CN(C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OC(C)(C)C ZINC001464562520 1068782418 /nfs/dbraw/zinc/78/24/18/1068782418.db2.gz FBUFUICRXBPIQC-ZDUSSCGKSA-N 0 0 455.379 4.543 20 0 JJADRN O=Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2)s1 ZINC001464562251 1068782510 /nfs/dbraw/zinc/78/25/10/1068782510.db2.gz VXZBNOISEVOCLX-UHFFFAOYSA-N 0 0 452.601 4.500 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001464564201 1068782917 /nfs/dbraw/zinc/78/29/17/1068782917.db2.gz WCIBUYPZAACJAD-KRWDZBQOSA-N 0 0 455.986 4.894 20 0 JJADRN O=C(CNc1cccc(C(F)(F)F)c1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC001464567271 1068784217 /nfs/dbraw/zinc/78/42/17/1068784217.db2.gz WYHBIOOQAYKMOS-UHFFFAOYSA-N 0 0 451.452 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnc2c(Cl)cccc2c1O ZINC001464567785 1068784545 /nfs/dbraw/zinc/78/45/45/1068784545.db2.gz ACTSDKPSQMZKTO-MOPGFXCFSA-N 0 0 459.974 4.576 20 0 JJADRN CCC1(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCN(C(=O)c2ccccc2)CC1 ZINC001464568883 1068784990 /nfs/dbraw/zinc/78/49/90/1068784990.db2.gz WGKCTYQEZKBXIY-FQEVSTJZSA-N 0 0 454.014 4.615 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)CN(CC3CC3)C(=O)OC(C)(C)C)c2)cc1 ZINC001464568633 1068785183 /nfs/dbraw/zinc/78/51/83/1068785183.db2.gz GDYVVFKJIPXEGM-UHFFFAOYSA-N 0 0 454.567 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001464571862 1068786101 /nfs/dbraw/zinc/78/61/01/1068786101.db2.gz OLYYGZNDSVFOLR-FCHUYYIVSA-N 0 0 451.567 4.640 20 0 JJADRN CCCCn1nccc1NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001464572054 1068786770 /nfs/dbraw/zinc/78/67/70/1068786770.db2.gz FTWHPORNIYNKGZ-OAHLLOKOSA-N 0 0 454.493 4.565 20 0 JJADRN CN(CCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C(=O)OC(C)(C)C ZINC001464573516 1068787335 /nfs/dbraw/zinc/78/73/35/1068787335.db2.gz KVHPXKBHQZANJE-UHFFFAOYSA-N 0 0 457.958 4.625 20 0 JJADRN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)c2)C1 ZINC001464573526 1068787359 /nfs/dbraw/zinc/78/73/59/1068787359.db2.gz LPWMDEPCFMVIIC-UTKZUKDTSA-N 0 0 456.587 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001464574633 1068787808 /nfs/dbraw/zinc/78/78/08/1068787808.db2.gz SZAZCTHUXKPZPU-QRVBRYPASA-N 0 0 457.398 4.807 20 0 JJADRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 ZINC001464575155 1068788383 /nfs/dbraw/zinc/78/83/83/1068788383.db2.gz KWKJIRZAFMNPMP-QFIPXVFZSA-N 0 0 456.583 4.950 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)C[C@H](C)O1 ZINC001464580016 1068789859 /nfs/dbraw/zinc/78/98/59/1068789859.db2.gz LKXXCKGYWCQGFD-CALCHBBNSA-N 0 0 451.394 4.802 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(NC2CCCCC2)cc1 ZINC001464578660 1068789889 /nfs/dbraw/zinc/78/98/89/1068789889.db2.gz VDLGDYJFPKOGHG-UHFFFAOYSA-N 0 0 456.395 4.655 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCc1cccc(Br)c1 ZINC001464583337 1068790807 /nfs/dbraw/zinc/79/08/07/1068790807.db2.gz ZTAGTSRRFKXYRM-KRWDZBQOSA-N 0 0 459.287 4.515 20 0 JJADRN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCCOc1ccc(Cl)cc1Cl ZINC001464582493 1068790911 /nfs/dbraw/zinc/79/09/11/1068790911.db2.gz RMUDGTYZYLCKJC-UHFFFAOYSA-N 0 0 457.357 4.976 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC001464590307 1068792685 /nfs/dbraw/zinc/79/26/85/1068792685.db2.gz LFRNZEBIKVAJAC-LJQANCHMSA-N 0 0 459.775 4.776 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)NCCOc2ccc(Br)cc2)cc1 ZINC001464594434 1068793667 /nfs/dbraw/zinc/79/36/67/1068793667.db2.gz DKBJDYGYHMBDQN-UHFFFAOYSA-N 0 0 456.340 4.795 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC001464596397 1068794189 /nfs/dbraw/zinc/79/41/89/1068794189.db2.gz MTPIHESHPGDOSV-QFIPXVFZSA-N 0 0 452.599 4.696 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)cc1C(C)C ZINC001464596482 1068794397 /nfs/dbraw/zinc/79/43/97/1068794397.db2.gz QVQVQAPNWFQDTA-QHCPKHFHSA-N 0 0 459.608 4.724 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC001464596322 1068794407 /nfs/dbraw/zinc/79/44/07/1068794407.db2.gz DWAOVIBQVREWDS-UHFFFAOYSA-N 0 0 452.352 4.949 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)cc1 ZINC001464598551 1068794738 /nfs/dbraw/zinc/79/47/38/1068794738.db2.gz IGZHNPKVYHAWOH-QHCPKHFHSA-N 0 0 458.986 4.563 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)N2CCC[C@@H]2c2cncc(Br)c2)cc1C ZINC001464599534 1068795357 /nfs/dbraw/zinc/79/53/57/1068795357.db2.gz HUBWTUDVCHTOFZ-GOSISDBHSA-N 0 0 453.402 4.810 20 0 JJADRN Cc1cc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)ccc1Oc1ccc(Cl)cc1Cl ZINC001464599768 1068795454 /nfs/dbraw/zinc/79/54/54/1068795454.db2.gz RLBZLOCMRNZUBZ-UHFFFAOYSA-N 0 0 455.305 4.599 20 0 JJADRN Cc1sc(CC(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1-c1ccco1 ZINC001464600339 1068795993 /nfs/dbraw/zinc/79/59/93/1068795993.db2.gz CRVQFKWEOSNELM-UHFFFAOYSA-N 0 0 458.971 4.674 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc(C(F)(F)F)c1 ZINC001464602382 1068796249 /nfs/dbraw/zinc/79/62/49/1068796249.db2.gz VFQGFUFGBGWZGQ-LJQANCHMSA-N 0 0 458.477 4.877 20 0 JJADRN Cc1c([C@@H](C)NC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cnn1-c1ccc(F)cc1 ZINC001464606578 1068797526 /nfs/dbraw/zinc/79/75/26/1068797526.db2.gz ZHOZZLCGWZHEQI-QUGAMOGWSA-N 0 0 451.542 4.912 20 0 JJADRN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccnc(Cl)c1I ZINC001464608172 1068797670 /nfs/dbraw/zinc/79/76/70/1068797670.db2.gz HPYQJIMXDRLGIQ-UHFFFAOYSA-N 0 0 456.589 4.533 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)CCC(=O)c3cc(Cl)sc3Cl)CC2)s1 ZINC001464610608 1068798003 /nfs/dbraw/zinc/79/80/03/1068798003.db2.gz OPDRCMFMZCFHMK-UHFFFAOYSA-N 0 0 459.420 4.809 20 0 JJADRN Cc1occc1CN(C)C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 ZINC001464609328 1068798091 /nfs/dbraw/zinc/79/80/91/1068798091.db2.gz HTLDNVDHFYITII-UHFFFAOYSA-N 0 0 455.374 4.935 20 0 JJADRN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464609059 1068798185 /nfs/dbraw/zinc/79/81/85/1068798185.db2.gz GLUITARVAAYUHO-SFHVURJKSA-N 0 0 454.596 4.912 20 0 JJADRN C[C@@H](Cc1ccco1)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001464610917 1068798523 /nfs/dbraw/zinc/79/85/23/1068798523.db2.gz AGUNSKGXDVDIJH-ZWKOTPCHSA-N 0 0 456.539 4.653 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546148200 1068799665 /nfs/dbraw/zinc/79/96/65/1068799665.db2.gz IOMWASSIQHPCBJ-IBGZPJMESA-N 0 0 471.621 4.891 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546148201 1068799675 /nfs/dbraw/zinc/79/96/75/1068799675.db2.gz IOMWASSIQHPCBJ-LJQANCHMSA-N 0 0 471.621 4.891 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001464614848 1068799691 /nfs/dbraw/zinc/79/96/91/1068799691.db2.gz BDQPOSKKELIMMS-QFIPXVFZSA-N 0 0 455.595 4.885 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)s1 ZINC001464614073 1068799739 /nfs/dbraw/zinc/79/97/39/1068799739.db2.gz RBQUOJMOZLKMJP-UHFFFAOYSA-N 0 0 458.584 4.574 20 0 JJADRN C[C@](O)(C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001464615086 1068799808 /nfs/dbraw/zinc/79/98/08/1068799808.db2.gz LUDXEYZNBOVAEH-RUZDIDTESA-N 0 0 452.913 4.805 20 0 JJADRN Cc1ccc(Sc2ccc(N3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)cc2)c(C)c1 ZINC001464617192 1068800687 /nfs/dbraw/zinc/80/06/87/1068800687.db2.gz KFILJJQXMYOEDZ-UHFFFAOYSA-N 0 0 453.633 4.548 20 0 JJADRN Cc1nc(N(C)C)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC001464616609 1068801067 /nfs/dbraw/zinc/80/10/67/1068801067.db2.gz ROEVHLJVTMQJQT-UHFFFAOYSA-N 0 0 454.983 4.903 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC(C)(C)c3ccc(Cl)c(Cl)c3)c2C1 ZINC001464619482 1068801326 /nfs/dbraw/zinc/80/13/26/1068801326.db2.gz KUFWMJXVJCVPQA-UHFFFAOYSA-N 0 0 453.370 4.675 20 0 JJADRN COc1cc(/C=C\C(=O)NCc2ccc(Oc3ccccc3)nc2)cc(Br)c1O ZINC001464623935 1068801828 /nfs/dbraw/zinc/80/18/28/1068801828.db2.gz CSPQNBGTLVDSEU-CLFYSBASSA-N 0 0 455.308 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC001464624086 1068801904 /nfs/dbraw/zinc/80/19/04/1068801904.db2.gz DBIPXWPEGONPGP-FCHUYYIVSA-N 0 0 457.615 4.693 20 0 JJADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464624454 1068802642 /nfs/dbraw/zinc/80/26/42/1068802642.db2.gz VGVBKYMMNFYVBL-GOSISDBHSA-N 0 0 459.631 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC001464626759 1068803127 /nfs/dbraw/zinc/80/31/27/1068803127.db2.gz IGKVDHHAGIUNBA-HSZRJFAPSA-N 0 0 459.546 4.852 20 0 JJADRN O=C(CNS(=O)(=O)c1ccccc1F)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001464629566 1068803544 /nfs/dbraw/zinc/80/35/44/1068803544.db2.gz LKYWUTYCCSIQHF-UHFFFAOYSA-N 0 0 450.944 4.547 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC001464629273 1068803626 /nfs/dbraw/zinc/80/36/26/1068803626.db2.gz JZGRNWWVGVYEJS-LJQANCHMSA-N 0 0 453.340 4.969 20 0 JJADRN O=S(=O)(CCc1c(F)cccc1F)NCc1c(Cl)cc(Br)cc1Cl ZINC001464628191 1068803830 /nfs/dbraw/zinc/80/38/30/1068803830.db2.gz BPPNQHKUVVVPMD-UHFFFAOYSA-N 0 0 459.139 4.696 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001464631187 1068804068 /nfs/dbraw/zinc/80/40/68/1068804068.db2.gz PAKMBRBSEAYRRY-IEZWGBDMSA-N 0 0 459.388 4.582 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)s1 ZINC001464631244 1068804161 /nfs/dbraw/zinc/80/41/61/1068804161.db2.gz PWDKPJVJLPTABV-UHFFFAOYSA-N 0 0 455.536 4.895 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1 ZINC001464632640 1068805037 /nfs/dbraw/zinc/80/50/37/1068805037.db2.gz LSHDQKZBSUQILE-UHFFFAOYSA-N 0 0 450.539 4.742 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001464635013 1068806116 /nfs/dbraw/zinc/80/61/16/1068806116.db2.gz ZAOIPFGROJLMIN-SFTDATJTSA-N 0 0 452.599 4.537 20 0 JJADRN Cc1ccc(C[C@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001464635008 1068806150 /nfs/dbraw/zinc/80/61/50/1068806150.db2.gz ZAOIPFGROJLMIN-NHCUHLMSSA-N 0 0 452.599 4.537 20 0 JJADRN O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001464637700 1068807060 /nfs/dbraw/zinc/80/70/60/1068807060.db2.gz RGJAONPZKKRUPA-QGZVFWFLSA-N 0 0 459.167 4.611 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)Oc3cnc4cccc(Br)c4c3)cc(Cl)c2O1 ZINC001464639436 1068807512 /nfs/dbraw/zinc/80/75/12/1068807512.db2.gz LJRXKSSRTAGNMT-SNVBAGLBSA-N 0 0 454.729 4.742 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(C(F)(F)F)ccc1Br ZINC001464644580 1068809301 /nfs/dbraw/zinc/80/93/01/1068809301.db2.gz YDDGYBLYWCDNPR-HNNXBMFYSA-N 0 0 455.274 4.503 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)co1 ZINC001464648501 1068810850 /nfs/dbraw/zinc/81/08/50/1068810850.db2.gz LBJVOAXSOGISRD-IBGZPJMESA-N 0 0 452.511 4.722 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001464649065 1068811154 /nfs/dbraw/zinc/81/11/54/1068811154.db2.gz FTUWGOHLSOPUDQ-YPFXGUDJSA-N 0 0 450.732 4.746 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC001464650617 1068811646 /nfs/dbraw/zinc/81/16/46/1068811646.db2.gz BCGRMWPBTLVIRK-HXUWFJFHSA-N 0 0 455.599 4.521 20 0 JJADRN COc1cccc(N2CCC(NC(=O)c3ccccc3NC(=O)OCc3ccccc3)CC2)c1 ZINC001464652213 1068812057 /nfs/dbraw/zinc/81/20/57/1068812057.db2.gz SDIKTTCGWPEVGQ-UHFFFAOYSA-N 0 0 459.546 4.843 20 0 JJADRN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC001464653871 1068812868 /nfs/dbraw/zinc/81/28/68/1068812868.db2.gz AYKWNDIVBPLCPC-MRXNPFEDSA-N 0 0 454.523 4.550 20 0 JJADRN COc1ccc(COCCC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001464655524 1068813241 /nfs/dbraw/zinc/81/32/41/1068813241.db2.gz SVBGTFDMJUEOFL-LJQANCHMSA-N 0 0 455.942 4.712 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc(C(F)(F)F)ccc1Br ZINC001464655582 1068813333 /nfs/dbraw/zinc/81/33/33/1068813333.db2.gz UAJJJWHJIBWHMG-UHFFFAOYSA-N 0 0 456.287 4.959 20 0 JJADRN COc1c(Cl)cc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1Cl ZINC001464657094 1068813895 /nfs/dbraw/zinc/81/38/95/1068813895.db2.gz UTETWCGXWZRXDM-ZDUSSCGKSA-N 0 0 458.139 4.756 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)N3CCc4c(ccc(Cl)c4Cl)C3)CCCC2)cc1 ZINC001464656064 1068813924 /nfs/dbraw/zinc/81/39/24/1068813924.db2.gz HZJIWIWZRXBXTI-UHFFFAOYSA-N 0 0 452.403 4.973 20 0 JJADRN O=C(N/C(=C/c1cccnc1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)c1ccccc1 ZINC001464657937 1068814448 /nfs/dbraw/zinc/81/44/48/1068814448.db2.gz XKYFHLLLGXVCLU-FYJGNVAPSA-N 0 0 452.341 4.744 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cc(NC(=O)OC(C)(C)C)n(C)n3)cc2)cc1 ZINC001464659660 1068815012 /nfs/dbraw/zinc/81/50/12/1068815012.db2.gz YDHXROQXSISFIA-UHFFFAOYSA-N 0 0 450.495 4.547 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)CCc2ccccc2C(F)(F)F)c(F)cc1F ZINC001464660805 1068815402 /nfs/dbraw/zinc/81/54/02/1068815402.db2.gz DKEMWGGVAXCLCU-UHFFFAOYSA-N 0 0 450.429 4.707 20 0 JJADRN Cc1ccc(O)c(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001464662042 1068815948 /nfs/dbraw/zinc/81/59/48/1068815948.db2.gz BQCYZIFAWZYOET-FQEVSTJZSA-N 0 0 457.299 4.712 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)[C@H]3C[C@@]3(C)c3cccc(Br)c3)co2)cc1 ZINC001464669058 1068818409 /nfs/dbraw/zinc/81/84/09/1068818409.db2.gz MUJOBAJWHIHDCY-OFNKIYASSA-N 0 0 455.352 4.749 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC001464668676 1068818499 /nfs/dbraw/zinc/81/84/99/1068818499.db2.gz VOJUWQPQXVZMCA-NRFANRHFSA-N 0 0 459.612 4.823 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2cscc2Br)c2ccccc21 ZINC001464672827 1068819738 /nfs/dbraw/zinc/81/97/38/1068819738.db2.gz JSGCCUFGXAILCH-ZDUSSCGKSA-N 0 0 458.399 4.535 20 0 JJADRN COC(=O)N1CCCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001464673075 1068820500 /nfs/dbraw/zinc/82/05/00/1068820500.db2.gz GYQKTXBBUPLWGM-UHFFFAOYSA-N 0 0 456.395 4.695 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c3ccccc31)=C2 ZINC001464674194 1068820529 /nfs/dbraw/zinc/82/05/29/1068820529.db2.gz OYUQLMPOXXGVRV-JOCHJYFZSA-N 0 0 455.576 4.648 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001464677523 1068821988 /nfs/dbraw/zinc/82/19/88/1068821988.db2.gz STBYSADMYULZRG-GOSISDBHSA-N 0 0 459.414 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2c(Br)cccc2C1)C1CCCCC1 ZINC001464680342 1068822603 /nfs/dbraw/zinc/82/26/03/1068822603.db2.gz VKBZAOGDXSIFBJ-LJQANCHMSA-N 0 0 451.405 4.807 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464684593 1068824561 /nfs/dbraw/zinc/82/45/61/1068824561.db2.gz OBCZFNKGUKJVQK-MOPGFXCFSA-N 0 0 453.583 4.608 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)s1 ZINC001464685961 1068825090 /nfs/dbraw/zinc/82/50/90/1068825090.db2.gz DKYWLIWUFIFEEQ-HNNXBMFYSA-N 0 0 450.402 4.801 20 0 JJADRN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H](CC3CCCCC3)c3ccccc3)cc12 ZINC001464686780 1068825707 /nfs/dbraw/zinc/82/57/07/1068825707.db2.gz UGDWEMLESNPYTA-DYESRHJHSA-N 0 0 452.624 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC001464687864 1068825842 /nfs/dbraw/zinc/82/58/42/1068825842.db2.gz PZNPPDCFPWRLFY-RXFWQSSRSA-N 0 0 477.045 4.932 20 0 JJADRN Cc1ccc(C2=CCN(C(=O)CCC(=O)c3ccc(I)cc3)CC2)cc1 ZINC001464689245 1068826344 /nfs/dbraw/zinc/82/63/44/1068826344.db2.gz FGPKWDIFLKDGKD-UHFFFAOYSA-N 0 0 459.327 4.878 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc2c(cncc2Br)s1 ZINC001464689866 1068826353 /nfs/dbraw/zinc/82/63/53/1068826353.db2.gz ZILJGPBXIAVPMK-UHFFFAOYSA-N 0 0 452.761 4.779 20 0 JJADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)C2)cc1 ZINC001464692068 1068827075 /nfs/dbraw/zinc/82/70/75/1068827075.db2.gz MQMCFBGULCPQNX-PMACEKPBSA-N 0 0 455.002 4.535 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001464693024 1068827629 /nfs/dbraw/zinc/82/76/29/1068827629.db2.gz HCCYRDDNIDDPAE-RTBURBONSA-N 0 0 452.661 4.772 20 0 JJADRN CC1(C)Cc2cc(S(=O)(=O)N3CCC[C@@H]3Cc3ccc(Br)cc3)ccc2O1 ZINC001464697983 1068828473 /nfs/dbraw/zinc/82/84/73/1068828473.db2.gz ULZBCFCVOVXFNR-GOSISDBHSA-N 0 0 450.398 4.558 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[C@H]3C[C@H](C)c4c3cccc4C)C2)cc1 ZINC001464700402 1068829706 /nfs/dbraw/zinc/82/97/06/1068829706.db2.gz INXLIXLQTSUZNV-FDFHNCONSA-N 0 0 454.636 4.501 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)C2)cc1 ZINC001464700403 1068829810 /nfs/dbraw/zinc/82/98/10/1068829810.db2.gz INXLIXLQTSUZNV-FKBYEOEOSA-N 0 0 454.636 4.501 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)C1 ZINC001464704506 1068830758 /nfs/dbraw/zinc/83/07/58/1068830758.db2.gz HBLBOMOJFRAKJI-MHECFPHRSA-N 0 0 459.993 4.657 20 0 JJADRN Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001464704413 1068830955 /nfs/dbraw/zinc/83/09/55/1068830955.db2.gz VQCQPPIZFHAHQN-UHFFFAOYSA-N 0 0 454.567 4.951 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001464704602 1068831535 /nfs/dbraw/zinc/83/15/35/1068831535.db2.gz KBUVWGRJQYUMHD-KRWDZBQOSA-N 0 0 458.331 4.895 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(NCc2ccsc2)cc1 ZINC001464704660 1068831620 /nfs/dbraw/zinc/83/16/20/1068831620.db2.gz NXKDADIFNWVYFX-HSZRJFAPSA-N 0 0 456.011 4.817 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC001464704665 1068831677 /nfs/dbraw/zinc/83/16/77/1068831677.db2.gz KTSMXLSDLTWNET-MHZLTWQESA-N 0 0 456.546 4.538 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001464708372 1068833170 /nfs/dbraw/zinc/83/31/70/1068833170.db2.gz NCEXKUREJVUYAC-RTWAWAEBSA-N 0 0 459.631 4.501 20 0 JJADRN O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711251 1068834866 /nfs/dbraw/zinc/83/48/66/1068834866.db2.gz AGAYHMMMEAZWKA-AHWVRZQESA-N 0 0 452.957 4.836 20 0 JJADRN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC001464712515 1068835151 /nfs/dbraw/zinc/83/51/51/1068835151.db2.gz VOYBQGDDDJGSBB-UHFFFAOYSA-N 0 0 451.935 4.763 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21)c1cc(F)ccc1F ZINC001464714061 1068835344 /nfs/dbraw/zinc/83/53/44/1068835344.db2.gz KVTFRGGPTFMONA-QRWLVFNGSA-N 0 0 457.502 4.615 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC001464713748 1068835529 /nfs/dbraw/zinc/83/55/29/1068835529.db2.gz ZMXMJGNYJGSBPZ-LJQANCHMSA-N 0 0 451.498 4.851 20 0 JJADRN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC001464713439 1068835599 /nfs/dbraw/zinc/83/55/99/1068835599.db2.gz YVLMEZPJBANSPG-UHFFFAOYSA-N 0 0 456.995 4.903 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001464713638 1068835652 /nfs/dbraw/zinc/83/56/52/1068835652.db2.gz YJBVLCBFOUZDSU-LJQANCHMSA-N 0 0 451.498 4.851 20 0 JJADRN Cc1ccc(I)cc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC001464715672 1068836341 /nfs/dbraw/zinc/83/63/41/1068836341.db2.gz CIJNCTVRSXMVEJ-UHFFFAOYSA-N 0 0 454.739 4.970 20 0 JJADRN O=C(Nc1ncccc1OCC1CCCCC1)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001464719413 1068837203 /nfs/dbraw/zinc/83/72/03/1068837203.db2.gz AEYDBSRRDNQOFA-RUZDIDTESA-N 0 0 455.530 4.730 20 0 JJADRN O=Cc1cc(F)c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001464718939 1068837276 /nfs/dbraw/zinc/83/72/76/1068837276.db2.gz XJZYVDLLIODYIQ-DEOSSOPVSA-N 0 0 454.904 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(NC(=O)c3c[nH]cc3C3CC3)cc2)CC1 ZINC001464720941 1068837924 /nfs/dbraw/zinc/83/79/24/1068837924.db2.gz BNQQJENUUOBUOL-UHFFFAOYSA-N 0 0 453.539 4.701 20 0 JJADRN COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(Br)cc2O)c1 ZINC001464721869 1068838273 /nfs/dbraw/zinc/83/82/73/1068838273.db2.gz XBYKBINIRIPVOG-UHFFFAOYSA-N 0 0 455.308 4.597 20 0 JJADRN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003226635 562926803 /nfs/dbraw/zinc/92/68/03/562926803.db2.gz DUJZAUWVEVOHFR-UHFFFAOYSA-N 0 0 487.503 4.960 20 0 JJADRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000008824154 562954959 /nfs/dbraw/zinc/95/49/59/562954959.db2.gz BJIHSECECLNAHR-UHFFFAOYSA-N 0 0 481.556 4.599 20 0 JJADRN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c(C)n1Cc1ccco1 ZINC000009782019 562956971 /nfs/dbraw/zinc/95/69/71/562956971.db2.gz HFKYVSNFCHTDNS-MHZLTWQESA-N 0 0 455.514 4.549 20 0 JJADRN COc1ccccc1Cn1c2nnc(SCC(=O)c3ccc(C)cc3C)n2c2ccccc2c1=O ZINC000068914372 569692618 /nfs/dbraw/zinc/69/26/18/569692618.db2.gz FUAIGVIPHIXWQN-UHFFFAOYSA-N 0 0 484.581 4.693 20 0 JJADRN O=C1c2ccccc2[C@@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]12 ZINC001164401327 718847820 /nfs/dbraw/zinc/84/78/20/718847820.db2.gz ATKUWNSXCVMSSD-MHPIHPPYSA-N 0 0 483.374 4.833 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001164403330 718858759 /nfs/dbraw/zinc/85/87/59/718858759.db2.gz MHNXHJBSBNAXEE-MOPGFXCFSA-N 0 0 455.587 4.592 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164405411 718859380 /nfs/dbraw/zinc/85/93/80/718859380.db2.gz RNUYXBNHSVTEBA-CVEARBPZSA-N 0 0 456.880 4.523 20 0 JJADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164410032 718866979 /nfs/dbraw/zinc/86/69/79/718866979.db2.gz WKLISFOCLVVPID-UHFFFAOYSA-N 0 0 464.875 4.870 20 0 JJADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164409987 718867029 /nfs/dbraw/zinc/86/70/29/718867029.db2.gz VZKPWKVBGITGMR-UHFFFAOYSA-N 0 0 476.911 4.642 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419854 718889658 /nfs/dbraw/zinc/88/96/58/718889658.db2.gz RTSHVDPMYGJUHR-GFCCVEGCSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419167 718889882 /nfs/dbraw/zinc/88/98/82/718889882.db2.gz QFYRIGOMCFAAGC-CYBMUJFWSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419169 718889998 /nfs/dbraw/zinc/88/99/98/718889998.db2.gz QFYRIGOMCFAAGC-ZDUSSCGKSA-N 0 0 478.124 4.921 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419850 718890047 /nfs/dbraw/zinc/89/00/47/718890047.db2.gz RTIVCOVZHGCLCI-INIZCTEOSA-N 0 0 494.727 4.816 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164417482 718890468 /nfs/dbraw/zinc/89/04/68/718890468.db2.gz KTQTZAZMPMXPED-INIZCTEOSA-N 0 0 494.727 4.816 20 0 JJADRN FC1(F)CO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164426251 718928198 /nfs/dbraw/zinc/92/81/98/718928198.db2.gz YTLCFBWCLGXYMB-MOPGFXCFSA-N 0 0 456.562 4.815 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164428255 718954743 /nfs/dbraw/zinc/95/47/43/718954743.db2.gz INWALRAGLSGRQL-OAQYLSRUSA-N 0 0 489.994 4.857 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164428936 718954758 /nfs/dbraw/zinc/95/47/58/718954758.db2.gz MHVPAENUWNHIPV-NRFANRHFSA-N 0 0 489.994 4.857 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164428048 718954795 /nfs/dbraw/zinc/95/47/95/718954795.db2.gz HXZSLNSXSWIBFA-LJQANCHMSA-N 0 0 488.966 4.763 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 ZINC000216462312 719128633 /nfs/dbraw/zinc/12/86/33/719128633.db2.gz IHEXXIMCGXKLFP-UHFFFAOYSA-N 0 0 484.629 4.904 20 0 JJADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001164620690 719128803 /nfs/dbraw/zinc/12/88/03/719128803.db2.gz JMFHFSVCSFBRTQ-UHFFFAOYSA-N 0 0 456.884 4.634 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164629727 719139323 /nfs/dbraw/zinc/13/93/23/719139323.db2.gz CSCVPKZENJAXLW-FQEVSTJZSA-N 0 0 463.956 4.758 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164631430 719139433 /nfs/dbraw/zinc/13/94/33/719139433.db2.gz NNRMJHFMSKINHF-FQEVSTJZSA-N 0 0 481.946 4.897 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cccc(Cl)n3)CC2)c2ccccc21 ZINC001164629687 719139506 /nfs/dbraw/zinc/13/95/06/719139506.db2.gz BXBPFHGNCJTQFT-IBGZPJMESA-N 0 0 463.956 4.758 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C[C@@H]3O2)n1 ZINC001164633603 719263990 /nfs/dbraw/zinc/26/39/90/719263990.db2.gz DHFULZCAXDNKLN-QEJZJMRPSA-N 0 0 480.972 4.641 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649431 719287874 /nfs/dbraw/zinc/28/78/74/719287874.db2.gz WRECSGCCAMJCQH-BPUTZDHNSA-N 0 0 467.973 4.575 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164645156 719288170 /nfs/dbraw/zinc/28/81/70/719288170.db2.gz CWJXDSCZBJPWKO-WTOYTKOKSA-N 0 0 480.037 4.946 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645179 719293081 /nfs/dbraw/zinc/29/30/81/719293081.db2.gz DEINWVQLCWEQCC-FHWLQOOXSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645522 719293731 /nfs/dbraw/zinc/29/37/31/719293731.db2.gz JTLMWKZCPYVVMS-FHWLQOOXSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164647960 719293874 /nfs/dbraw/zinc/29/38/74/719293874.db2.gz TVYHOYOYGLNBOY-AOIWGVFYSA-N 0 0 481.330 4.830 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c2c1C ZINC001164649040 719294496 /nfs/dbraw/zinc/29/44/96/719294496.db2.gz GOVMTJSLFXEAOL-SLSDLSHTSA-N 0 0 493.677 4.642 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164647962 719294587 /nfs/dbraw/zinc/29/45/87/719294587.db2.gz FNCSJTUHICAACD-FSSWDIPSSA-N 0 0 472.923 4.690 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)c(Cl)nn1 ZINC001164652374 719295804 /nfs/dbraw/zinc/29/58/04/719295804.db2.gz MWQUHGOMSRGTMT-VSKRKVRLSA-N 0 0 490.913 4.829 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@H]3O2)n1 ZINC001164655645 719300921 /nfs/dbraw/zinc/30/09/21/719300921.db2.gz ULRNWMRKUFMDLV-LSTHTHJFSA-N 0 0 476.911 4.907 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)C[C@@H]2CCCO[C@H]12 ZINC001164651239 719305375 /nfs/dbraw/zinc/30/53/75/719305375.db2.gz LIDLAVGJPXJCJZ-GNSUPJDDSA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C[C@H]2CCCO[C@@H]21 ZINC001164653727 719305409 /nfs/dbraw/zinc/30/54/09/719305409.db2.gz PZGUMWPJIRSMGU-CNDZOEFASA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164653729 719305432 /nfs/dbraw/zinc/30/54/32/719305432.db2.gz PZGUMWPJIRSMGU-SAWYMBPVSA-N 0 0 479.930 4.692 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)cnc2Cl)c1 ZINC001164646277 719306119 /nfs/dbraw/zinc/30/61/19/719306119.db2.gz DELCHUXTWHOBTQ-LXBDKUERSA-N 0 0 491.966 4.562 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CC2 ZINC001164652053 719314997 /nfs/dbraw/zinc/31/49/97/719314997.db2.gz MLVIAEXPARAJNM-UHFFFAOYSA-N 0 0 473.650 4.644 20 0 JJADRN Cc1nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164655450 719316949 /nfs/dbraw/zinc/31/69/49/719316949.db2.gz XNCBXZRIEKNFET-UHFFFAOYSA-N 0 0 453.034 4.739 20 0 JJADRN O=S1(=O)c2ccccc2[C@]2(CCN([C@H](F)c3ccnc(Cl)c3)C2)N1Cc1ccccc1 ZINC001164655318 719322629 /nfs/dbraw/zinc/32/26/29/719322629.db2.gz VZJSUZYCLOBJSS-XZOQPEGZSA-N 0 0 457.958 4.509 20 0 JJADRN Cc1cc(C(F)(F)N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)cc(Cl)n1 ZINC001164650095 719323000 /nfs/dbraw/zinc/32/30/00/719323000.db2.gz CKQZJBRRHMCZIB-UHFFFAOYSA-N 0 0 459.928 4.732 20 0 JJADRN Fc1ccc(C(F)(F)N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1Cl ZINC001164653299 719323036 /nfs/dbraw/zinc/32/30/36/719323036.db2.gz LRRDQAWUCYHBBW-UHFFFAOYSA-N 0 0 463.891 4.562 20 0 JJADRN Fc1cc(C(F)(F)N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)cnc1Cl ZINC001164656304 719323081 /nfs/dbraw/zinc/32/30/81/719323081.db2.gz WFRMNUAXQOLQIR-UHFFFAOYSA-N 0 0 463.891 4.562 20 0 JJADRN FC(F)(N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164656246 719323448 /nfs/dbraw/zinc/32/34/48/719323448.db2.gz VPNHSFYHESOGFF-UHFFFAOYSA-N 0 0 485.966 4.998 20 0 JJADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C[C@H]2CCCO[C@H]21 ZINC001164654764 719326710 /nfs/dbraw/zinc/32/67/10/719326710.db2.gz MUXZIPRSJZTWBO-FQELHTAISA-N 0 0 481.996 4.909 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164655289 719328109 /nfs/dbraw/zinc/32/81/09/719328109.db2.gz PQJWMBRFQKIPGC-UHFFFAOYSA-N 0 0 475.714 4.563 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164660656 719342989 /nfs/dbraw/zinc/34/29/89/719342989.db2.gz JMHVREZMAHEZCE-OTWHNJEPSA-N 0 0 455.908 4.910 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662753 719343740 /nfs/dbraw/zinc/34/37/40/719343740.db2.gz RITQXEVJKNDXFF-UEXGIBASSA-N 0 0 464.944 4.680 20 0 JJADRN CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164663854 719345496 /nfs/dbraw/zinc/34/54/96/719345496.db2.gz NUJVIDGOAFVJEJ-UHFFFAOYSA-N 0 0 480.012 4.606 20 0 JJADRN CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164663924 719346365 /nfs/dbraw/zinc/34/63/65/719346365.db2.gz PEXXYICSISOPMP-UHFFFAOYSA-N 0 0 494.039 4.915 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164664098 719347822 /nfs/dbraw/zinc/34/78/22/719347822.db2.gz RAGOAWGFMQASIV-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164663749 719349484 /nfs/dbraw/zinc/34/94/84/719349484.db2.gz KZMDBNLQVDZWOW-UHFFFAOYSA-N 0 0 489.023 4.987 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164663926 719349658 /nfs/dbraw/zinc/34/96/58/719349658.db2.gz PGNQYYOOOGYAQX-UHFFFAOYSA-N 0 0 468.580 4.977 20 0 JJADRN CCOc1ccc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164657922 719350964 /nfs/dbraw/zinc/35/09/64/719350964.db2.gz ACXYSJUJGYCEJA-UHFFFAOYSA-N 0 0 452.002 4.828 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164659941 719352262 /nfs/dbraw/zinc/35/22/62/719352262.db2.gz SRGCYUJXKOYPKN-UHFFFAOYSA-N 0 0 453.590 4.938 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164658023 719353858 /nfs/dbraw/zinc/35/38/58/719353858.db2.gz BCVJRVNRJVLVHX-UHFFFAOYSA-N 0 0 498.675 4.648 20 0 JJADRN CCc1nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)c(Cl)nc1C ZINC001164664882 719356231 /nfs/dbraw/zinc/35/62/31/719356231.db2.gz RLKOUYNBWHJSRS-UHFFFAOYSA-N 0 0 451.018 4.696 20 0 JJADRN CCOC[C@H]1CN(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164663098 719364128 /nfs/dbraw/zinc/36/41/28/719364128.db2.gz IDIDBLCXASHGFS-HXUWFJFHSA-N 0 0 482.698 4.897 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2Cl)CC3)cc1 ZINC001164671199 719503781 /nfs/dbraw/zinc/50/37/81/719503781.db2.gz CTJRIHFHVRHEAD-UHFFFAOYSA-N 0 0 461.368 4.947 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)cc1 ZINC001164674524 719508078 /nfs/dbraw/zinc/50/80/78/719508078.db2.gz YYZKIVPSSMXFNE-UHFFFAOYSA-N 0 0 461.368 4.947 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cc1 ZINC001164673769 719508786 /nfs/dbraw/zinc/50/87/86/719508786.db2.gz RKPCIIOTXIIUHV-UHFFFAOYSA-N 0 0 460.327 4.944 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CC3)cc1 ZINC001164679042 719532336 /nfs/dbraw/zinc/53/23/36/719532336.db2.gz QPBJHFJSWJLJMS-UHFFFAOYSA-N 0 0 465.947 4.866 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)nc4c2CCC4)CC3)cc1 ZINC001164678559 719532432 /nfs/dbraw/zinc/53/24/32/719532432.db2.gz LRMURJNKSDIONG-UHFFFAOYSA-N 0 0 465.947 4.779 20 0 JJADRN COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164679367 719532484 /nfs/dbraw/zinc/53/24/84/719532484.db2.gz YSWAZPBSKASIDW-UHFFFAOYSA-N 0 0 498.986 4.941 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CC3)cc1 ZINC001164679391 719533228 /nfs/dbraw/zinc/53/32/28/719533228.db2.gz 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Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C[C@H]2COc1cccnc1 ZINC001164687016 719600228 /nfs/dbraw/zinc/60/02/28/719600228.db2.gz PZKLZOMOYPNJNO-KRWDZBQOSA-N 0 0 482.922 4.653 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C[C@H]2COc1cccnc1 ZINC001164687103 719601607 /nfs/dbraw/zinc/60/16/07/719601607.db2.gz RAXDGAUTVXRFDD-HNNXBMFYSA-N 0 0 471.895 4.851 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCc4nnc(COc5ccccn5)n4CC3)cnc2Cl)c1 ZINC001164686557 719687397 /nfs/dbraw/zinc/68/73/97/719687397.db2.gz ORQCTRJPTBVOAY-UHFFFAOYSA-N 0 0 496.949 4.884 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)N1Cc1cccnc1 ZINC001164691066 719774234 /nfs/dbraw/zinc/77/42/34/719774234.db2.gz KTZHTKHBQMEWDS-NHCUHLMSSA-N 0 0 472.898 4.861 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164695212 719786539 /nfs/dbraw/zinc/78/65/39/719786539.db2.gz KHNFTVPZBAQRCW-UHFFFAOYSA-N 0 0 470.307 4.513 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164694263 719787280 /nfs/dbraw/zinc/78/72/80/719787280.db2.gz DWOWCPFVAGSPSC-UHFFFAOYSA-N 0 0 476.911 4.858 20 0 JJADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164695254 719789118 /nfs/dbraw/zinc/78/91/18/719789118.db2.gz LSBFFOLVPMQZHD-UHFFFAOYSA-N 0 0 479.890 4.512 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c(-c4cccnc4)c2)CC3)cn1 ZINC001164696302 719826792 /nfs/dbraw/zinc/82/67/92/719826792.db2.gz HXCHFUJTTVVWQS-KRWDZBQOSA-N 0 0 459.928 4.619 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccccc4F)nnc2Cl)CC3)cn1 ZINC001164698138 719826972 /nfs/dbraw/zinc/82/69/72/719826972.db2.gz RVKBAXPSQBRMCE-HNNXBMFYSA-N 0 0 477.918 4.758 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)cc1 ZINC001164698765 719829893 /nfs/dbraw/zinc/82/98/93/719829893.db2.gz UKLNHNIXPXBOJK-UHFFFAOYSA-N 0 0 492.357 4.838 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)cc1 ZINC001164695932 719830202 /nfs/dbraw/zinc/83/02/02/719830202.db2.gz GSQDVBXVHSJSBF-UHFFFAOYSA-N 0 0 492.357 4.838 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)CN1c1ccccc1 ZINC001164695858 719836491 /nfs/dbraw/zinc/83/64/91/719836491.db2.gz PRQDLRWYFXJLJG-UHFFFAOYSA-N 0 0 457.908 4.836 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC2)CN1c1ccccc1 ZINC001164694640 719836770 /nfs/dbraw/zinc/83/67/70/719836770.db2.gz HOWPMWXQACAJGH-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC2)CN1c1ccccc1 ZINC001164696812 719836940 /nfs/dbraw/zinc/83/69/40/719836940.db2.gz VFUXHOCTLBXNHO-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)CN(Cc3cccs3)CCO4)o2)cc1 ZINC001164707507 719898633 /nfs/dbraw/zinc/89/86/33/719898633.db2.gz RYZSTYIYCMRCHX-UHFFFAOYSA-N 0 0 461.591 4.526 20 0 JJADRN c1csc(CN2CCOC3(CCN(c4nccc(SCc5ccccc5)n4)CC3)C2)c1 ZINC001164707731 719905362 /nfs/dbraw/zinc/90/53/62/719905362.db2.gz WPDZCPXXUYBILM-UHFFFAOYSA-N 0 0 452.649 4.702 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)cnc2Cl)c1 ZINC001164801746 720052573 /nfs/dbraw/zinc/05/25/73/720052573.db2.gz GOAPOCXUWWSFBA-XUZZJYLKSA-N 0 0 488.966 4.906 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)[C@@H]2CCCO[C@H]12 ZINC001164709903 720061957 /nfs/dbraw/zinc/06/19/57/720061957.db2.gz BXDSTYRXQIKMPY-SBHAEUEKSA-N 0 0 462.928 4.606 20 0 JJADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2ccccc2-c2nc(Cl)c4ccccc4n2)C3)n1 ZINC001164807711 720062912 /nfs/dbraw/zinc/06/29/12/720062912.db2.gz WIKYNBJMTYZEAS-CMJOXMDJSA-N 0 0 483.906 4.591 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2ccc(Cl)nc2)CC3)c1 ZINC001164709809 720087619 /nfs/dbraw/zinc/08/76/19/720087619.db2.gz FYVKEGDSEABMQE-UHFFFAOYSA-N 0 0 464.925 4.603 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2cccnc2Cl)CC3)c1 ZINC001164709833 720088307 /nfs/dbraw/zinc/08/83/07/720088307.db2.gz GKUMKJPEUXUTEA-UHFFFAOYSA-N 0 0 464.925 4.603 20 0 JJADRN COc1cccc(NC(=O)c2nc3c(s2)CCN(c2nc(Cl)ccc2CN2CCCC2)CC3)c1 ZINC001164713924 720089025 /nfs/dbraw/zinc/08/90/25/720089025.db2.gz VEXGQBVDSAAWFF-UHFFFAOYSA-N 0 0 498.052 4.653 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164710261 720092004 /nfs/dbraw/zinc/09/20/04/720092004.db2.gz IDBVEGGGXQIOKU-UHFFFAOYSA-N 0 0 460.941 4.512 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)cs1 ZINC001164818316 720255896 /nfs/dbraw/zinc/25/58/96/720255896.db2.gz YMDVJACETAQOGR-RBUKOAKNSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)cs1 ZINC001164815675 720258067 /nfs/dbraw/zinc/25/80/67/720258067.db2.gz DGVXQQZZBIYEBY-UXHICEINSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)cs1 ZINC001164815672 720258170 /nfs/dbraw/zinc/25/81/70/720258170.db2.gz DGVXQQZZBIYEBY-PMACEKPBSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3cccs3)nnc2Cl)cs1 ZINC001164815134 720258192 /nfs/dbraw/zinc/25/81/92/720258192.db2.gz BBEVSEJARNDVKR-IRXDYDNUSA-N 0 0 496.008 4.938 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccccc3)nnc2Cl)cs1 ZINC001164815722 720258559 /nfs/dbraw/zinc/25/85/59/720258559.db2.gz DPIRBDMBNPUSJG-UXHICEINSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)cs1 ZINC001164815146 720259124 /nfs/dbraw/zinc/25/91/24/720259124.db2.gz BCQBPTRYFKDWSI-VQTJNVASSA-N 0 0 489.979 4.877 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3CCC[C@]5(CCN(CC6CC6)C5=O)C3)n2)CCC4)CC1 ZINC001164816992 720282040 /nfs/dbraw/zinc/28/20/40/720282040.db2.gz ATPZTISXVOBWBG-NDEPHWFRSA-N 0 0 493.721 4.641 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)C2 ZINC001164819110 720283534 /nfs/dbraw/zinc/28/35/34/720283534.db2.gz PMOCLLKRNVLBOR-JOCHJYFZSA-N 0 0 464.919 4.710 20 0 JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164724579 720315357 /nfs/dbraw/zinc/31/53/57/720315357.db2.gz REUDJRMHHQJIRC-OAQYLSRUSA-N 0 0 489.954 4.844 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721348 720352644 /nfs/dbraw/zinc/35/26/44/720352644.db2.gz BTQIMFQHDCQPDX-MSOLQXFVSA-N 0 0 450.320 4.730 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721354 720353543 /nfs/dbraw/zinc/35/35/43/720353543.db2.gz BTQIMFQHDCQPDX-ZWKOTPCHSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164826056 720387189 /nfs/dbraw/zinc/38/71/89/720387189.db2.gz WJCMZHGOTOVTSI-XHSDSOJGSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822920 720387328 /nfs/dbraw/zinc/38/73/28/720387328.db2.gz NBSSRTQHOVNGRH-RCCFBDPRSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820779 720387340 /nfs/dbraw/zinc/38/73/40/720387340.db2.gz CGOXXVVRPOFWQS-GGPKGHCWSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826854 720387363 /nfs/dbraw/zinc/38/73/63/720387363.db2.gz XXZOWNIPULZXEX-GUDVDZBRSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164826859 720387422 /nfs/dbraw/zinc/38/74/22/720387422.db2.gz XXZOWNIPULZXEX-OTWHNJEPSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826960 720388519 /nfs/dbraw/zinc/38/85/19/720388519.db2.gz ZDRWHUKMXKANPX-IPMKNSEASA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164822893 720388614 /nfs/dbraw/zinc/38/86/14/720388614.db2.gz MRNXHEOCUQTNSB-NUJGCVRESA-N 0 0 484.931 4.685 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820380 720389219 /nfs/dbraw/zinc/38/92/19/720389219.db2.gz ADBNKXKOCFKTIK-LZWOXQAQSA-N 0 0 450.338 4.651 20 0 JJADRN CSc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164820810 720389746 /nfs/dbraw/zinc/38/97/46/720389746.db2.gz COHMARZZBLDRQV-ZQIUZPCESA-N 0 0 461.987 4.720 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)[C@H]3CCCO[C@H]23)cs1 ZINC001164821859 720390477 /nfs/dbraw/zinc/39/04/77/720390477.db2.gz JZMSMXJEHZNELK-KSZLIROESA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821860 720390708 /nfs/dbraw/zinc/39/07/08/720390708.db2.gz JZMSMXJEHZNELK-KURKYZTESA-N 0 0 466.941 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723788 720390847 /nfs/dbraw/zinc/39/08/47/720390847.db2.gz HIHIYLPVDINWIL-ZWKOTPCHSA-N 0 0 450.320 4.730 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@H]32)c1 ZINC001164824353 720391005 /nfs/dbraw/zinc/39/10/05/720391005.db2.gz RAQBAZJPWNLPMX-IXDOHACOSA-N 0 0 461.987 4.720 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)c1 ZINC001164824352 720391430 /nfs/dbraw/zinc/39/14/30/720391430.db2.gz RAQBAZJPWNLPMX-IKGGRYGDSA-N 0 0 461.987 4.720 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@H]3CCCO[C@H]23)cs1 ZINC001164824936 720392238 /nfs/dbraw/zinc/39/22/38/720392238.db2.gz SLYGJPNPQXFIQV-SCTDSRPQSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820920 720392756 /nfs/dbraw/zinc/39/27/56/720392756.db2.gz DDULJMZRDLYVCF-ZHALLVOQSA-N 0 0 455.958 4.573 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164823659 720393589 /nfs/dbraw/zinc/39/35/89/720393589.db2.gz PDZXUNSWUBQAFL-HXUWFJFHSA-N 0 0 486.897 4.594 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164824464 720394097 /nfs/dbraw/zinc/39/40/97/720394097.db2.gz SHXHWQNZQBCMQM-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730296 720394343 /nfs/dbraw/zinc/39/43/43/720394343.db2.gz WNEQGBJBSCLGNL-MSOLQXFVSA-N 0 0 450.320 4.730 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164822389 720394458 /nfs/dbraw/zinc/39/44/58/720394458.db2.gz LWKXWMHCCYNLCZ-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164820957 720396157 /nfs/dbraw/zinc/39/61/57/720396157.db2.gz DFIYMAFUDFYZMQ-HXUWFJFHSA-N 0 0 454.899 4.906 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)O2)n1 ZINC001164828088 720403677 /nfs/dbraw/zinc/40/36/77/720403677.db2.gz HQIJEYFCFHXOOQ-KKUMJFAQSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826133 720408254 /nfs/dbraw/zinc/40/82/54/720408254.db2.gz BTXKVKBHYGWPOO-AQNXPRMDSA-N 0 0 494.665 4.602 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164827556 720408530 /nfs/dbraw/zinc/40/85/30/720408530.db2.gz FZUVWVFMNHXIAO-UFYCRDLUSA-N 0 0 494.665 4.746 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)O2)n1 ZINC001164828725 720409708 /nfs/dbraw/zinc/40/97/08/720409708.db2.gz KRAFZYNMQQUPIJ-AABGKKOBSA-N 0 0 476.606 4.610 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](c5nc(C)no5)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164831125 720412012 /nfs/dbraw/zinc/41/20/12/720412012.db2.gz VTDXOEHZXJIDQO-GBESFXJTSA-N 0 0 477.899 4.541 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725796 720484710 /nfs/dbraw/zinc/48/47/10/720484710.db2.gz KLCKGIIHTIDOAG-VXKWHMMOSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164728249 720491449 /nfs/dbraw/zinc/49/14/49/720491449.db2.gz OPBKEBQFGRYOLK-VLIAUNLRSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)C3)c1 ZINC001164724761 720492058 /nfs/dbraw/zinc/49/20/58/720492058.db2.gz HAPDLBPIHIECAF-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4ncnc(Cl)c4c2)C3)c1 ZINC001164723084 720492132 /nfs/dbraw/zinc/49/21/32/720492132.db2.gz BTWKVOALKKCDEL-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN CSc1ccc(C(F)(F)N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1Cl ZINC001164730074 720494379 /nfs/dbraw/zinc/49/43/79/720494379.db2.gz SGFIYAQNZBMASQ-BTYIYWSLSA-N 0 0 487.975 4.865 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)C3)c1 ZINC001164731089 720494411 /nfs/dbraw/zinc/49/44/11/720494411.db2.gz VONRSWACRMBQQU-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccc4c(Cl)ncnc42)C3)c1 ZINC001164730809 720495179 /nfs/dbraw/zinc/49/51/79/720495179.db2.gz VIYYDXARJGRHQM-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164727568 720496099 /nfs/dbraw/zinc/49/60/99/720496099.db2.gz NLAPQKYDFWMRNH-VGOFRKELSA-N 0 0 481.946 4.718 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21)N1CCCCC1 ZINC001164831884 720498992 /nfs/dbraw/zinc/49/89/92/720498992.db2.gz HUQHFFAIHDPSRS-VCOUNFBDSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]21)N1CCCCC1 ZINC001164835441 720501352 /nfs/dbraw/zinc/50/13/52/720501352.db2.gz YBBFGRGVZHWALN-FVJLSDCUSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164836527 720502443 /nfs/dbraw/zinc/50/24/43/720502443.db2.gz MXNBQIKVIVJSES-CBQOVEMMSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]21)N1CCCCC1 ZINC001164837827 720503392 /nfs/dbraw/zinc/50/33/92/720503392.db2.gz PNKVSSXWZMFMDB-CUWPLCDZSA-N 0 0 463.956 4.677 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735625 720540608 /nfs/dbraw/zinc/54/06/08/720540608.db2.gz QTPVKMPTFIFXHZ-FDDCHVKYSA-N 0 0 487.938 4.586 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734062 720542089 /nfs/dbraw/zinc/54/20/89/720542089.db2.gz GWORGRGFBMNZAN-UZUQRXQVSA-N 0 0 487.938 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)Oc1ccc(Cl)nc1)Cc1ccccc12 ZINC001164843898 720744688 /nfs/dbraw/zinc/74/46/88/720744688.db2.gz MKQXWFUBVNRDCM-UHFFFAOYSA-N 0 0 473.907 4.947 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)Oc1ccnc(Cl)c1)Cc1ccccc12 ZINC001164843899 720745094 /nfs/dbraw/zinc/74/50/94/720745094.db2.gz MLZZGXGOPPOKIU-UHFFFAOYSA-N 0 0 473.907 4.947 20 0 JJADRN CC[C@H]1N(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CCC[C@@]12CCC(=O)N2 ZINC001164849557 720754081 /nfs/dbraw/zinc/75/40/81/720754081.db2.gz UBNBAWBOSRBKEF-WZONZLPQSA-N 0 0 477.939 4.761 20 0 JJADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccccc1 ZINC001164846891 720766898 /nfs/dbraw/zinc/76/68/98/720766898.db2.gz KPTLDGZBMZWWSL-QZTJIDSGSA-N 0 0 455.896 4.511 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)nc(Cl)c2c1 ZINC001164848932 720767654 /nfs/dbraw/zinc/76/76/54/720767654.db2.gz RAVJFMSTAUYEPR-RBUKOAKNSA-N 0 0 458.896 4.611 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)nc(Cl)c2c1 ZINC001164847138 720773535 /nfs/dbraw/zinc/77/35/35/720773535.db2.gz LGLJHQJUJROOEV-AHRSYUTCSA-N 0 0 478.902 4.705 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164849561 720776201 /nfs/dbraw/zinc/77/62/01/720776201.db2.gz UBQZHLIPHAZLII-DBVUQKKJSA-N 0 0 460.912 4.566 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847843 720778768 /nfs/dbraw/zinc/77/87/68/720778768.db2.gz NQTNZCCJVUPJOZ-GIQJJWITSA-N 0 0 484.959 4.663 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)C2=O)c1 ZINC001164851355 720806401 /nfs/dbraw/zinc/80/64/01/720806401.db2.gz KXQPJPDUVOHWTJ-QHCPKHFHSA-N 0 0 456.924 4.766 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749782 720806559 /nfs/dbraw/zinc/80/65/59/720806559.db2.gz UODUWPQINVOIDL-RBUKOAKNSA-N 0 0 492.357 4.732 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2=O)c1 ZINC001164851951 720806990 /nfs/dbraw/zinc/80/69/90/720806990.db2.gz LXLPOYPUMVDCLC-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)C2=O)c1 ZINC001164847547 720807058 /nfs/dbraw/zinc/80/70/58/720807058.db2.gz APTCHMZGEANHGH-QHCPKHFHSA-N 0 0 474.914 4.905 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1Cl ZINC001164851288 720807444 /nfs/dbraw/zinc/80/74/44/720807444.db2.gz KPWIWODMRDKBDU-OAQYLSRUSA-N 0 0 451.970 4.939 20 0 JJADRN O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)O1)N1CCCO1 ZINC001164848312 720823367 /nfs/dbraw/zinc/82/33/67/720823367.db2.gz MCFNFXKATBAPOI-UFYCRDLUSA-N 0 0 469.960 4.618 20 0 JJADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nc3C(=O)OC)cc1)C2 ZINC001164846708 720827059 /nfs/dbraw/zinc/82/70/59/720827059.db2.gz GCYGNSZRLRSQEW-CVDCTZTESA-N 0 0 480.939 4.755 20 0 JJADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164852133 720828757 /nfs/dbraw/zinc/82/87/57/720828757.db2.gz ZFWVPGYTYCEVLD-IRLDBZIGSA-N 0 0 452.929 4.881 20 0 JJADRN Cc1nc([C@H]2COCCN2c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)cs1 ZINC001164747611 720865051 /nfs/dbraw/zinc/86/50/51/720865051.db2.gz IGZPSNSLIVFODE-LJQANCHMSA-N 0 0 451.621 4.763 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCOC[C@@H]3c3csc(C)n3)c(Cl)nn2)c1 ZINC001164744578 720865629 /nfs/dbraw/zinc/86/56/29/720865629.db2.gz BVDQLIKLFKBGKN-GOSISDBHSA-N 0 0 452.914 4.693 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)CC1 ZINC001164856636 720894270 /nfs/dbraw/zinc/89/42/70/720894270.db2.gz GCNBQIHEFBNGEV-UHFFFAOYSA-N 0 0 456.924 4.961 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1)c1ccccc1 ZINC001164856888 720898523 /nfs/dbraw/zinc/89/85/23/720898523.db2.gz HQBUJVFQIAHATB-BWKNWUBXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1)c1ccccc1 ZINC001164858755 720899005 /nfs/dbraw/zinc/89/90/05/720899005.db2.gz ORYJKNTWTHSBQC-RDPSFJRHSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1)c1ccccc1 ZINC001164856809 720902229 /nfs/dbraw/zinc/90/22/29/720902229.db2.gz KWRLIWCTYIEQCX-SQJMNOBHSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1)c1ccccc1 ZINC001164856803 720902243 /nfs/dbraw/zinc/90/22/43/720902243.db2.gz KWRLIWCTYIEQCX-OFVILXPXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1)c1ccccc1 ZINC001164855893 720902650 /nfs/dbraw/zinc/90/26/50/720902650.db2.gz JQQZFDGMAKWSKI-RDPSFJRHSA-N 0 0 471.935 4.991 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3cncn3C[C@H](COCC3CC3)C2)n1 ZINC001164758518 720983303 /nfs/dbraw/zinc/98/33/03/720983303.db2.gz VSEOSLLWTZGNNS-HXUWFJFHSA-N 0 0 488.661 4.679 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757825 720985671 /nfs/dbraw/zinc/98/56/71/720985671.db2.gz QZZQXEXENKETPH-MRXNPFEDSA-N 0 0 477.918 4.741 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164756478 720985894 /nfs/dbraw/zinc/98/58/94/720985894.db2.gz JCXHYMIQHQBBPP-MRXNPFEDSA-N 0 0 477.918 4.741 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164759625 721008991 /nfs/dbraw/zinc/00/89/91/721008991.db2.gz MODFTSAFYLYJQU-ZLNRFVROSA-N 0 0 487.934 4.674 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cnc2Cl)cc1 ZINC001164758684 721009041 /nfs/dbraw/zinc/00/90/41/721009041.db2.gz JFVSZAMPEUKRJJ-BDTNDASRSA-N 0 0 475.898 4.901 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1=O ZINC001164856394 721026806 /nfs/dbraw/zinc/02/68/06/721026806.db2.gz ABHJRXSCJZUGAQ-GIVPXCGWSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1=O ZINC001164858114 721027154 /nfs/dbraw/zinc/02/71/54/721027154.db2.gz GIOJHJDAORIFPF-HMXCVIKNSA-N 0 0 477.983 4.781 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)nc(Cl)c2c1 ZINC001164765439 721027902 /nfs/dbraw/zinc/02/79/02/721027902.db2.gz PJVLGTUVQLESDI-VGSWGCGISA-N 0 0 478.902 4.707 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164766636 721028181 /nfs/dbraw/zinc/02/81/81/721028181.db2.gz RJPNIMTVRYUKGB-AVRDEDQJSA-N 0 0 460.912 4.568 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1=O ZINC001164859481 721029505 /nfs/dbraw/zinc/02/95/05/721029505.db2.gz INUWTWALXNQHBO-KFWWJZLASA-N 0 0 496.813 4.934 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]2C1=O ZINC001164858853 721030989 /nfs/dbraw/zinc/03/09/89/721030989.db2.gz HZZCLQVWGWZKAU-YZGWKJHDSA-N 0 0 493.982 4.887 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164770251 721031210 /nfs/dbraw/zinc/03/12/10/721031210.db2.gz XGTUISLIYNMXMP-IEZKXTBUSA-N 0 0 484.959 4.664 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2c1C ZINC001164760809 721031277 /nfs/dbraw/zinc/03/12/77/721031277.db2.gz DMCNFBGUOXGOSN-AMGIVPHBSA-N 0 0 493.677 4.644 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164771240 721031946 /nfs/dbraw/zinc/03/19/46/721031946.db2.gz ZUABNIJPBHNAIG-HNAYVOBHSA-N 0 0 460.308 4.553 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164766513 721032330 /nfs/dbraw/zinc/03/23/30/721032330.db2.gz QVYDDMXRSFRKRJ-QFBILLFUSA-N 0 0 460.308 4.553 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc(Cl)cnc1Cl)[C@@H]2COCc1ccccc1 ZINC001164758897 721047411 /nfs/dbraw/zinc/04/74/11/721047411.db2.gz DADYYOIECUYQGR-GOSISDBHSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1Cl)[C@H]2COCc1ccccc1 ZINC001164759889 721047441 /nfs/dbraw/zinc/04/74/41/721047441.db2.gz RMDUIMIFKZUVSS-KRWDZBQOSA-N 0 0 468.335 4.865 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)n1 ZINC001164770494 721057170 /nfs/dbraw/zinc/05/71/70/721057170.db2.gz KUUGBPOYHPKYTH-RTWAWAEBSA-N 0 0 487.913 4.564 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)n1 ZINC001164770490 721057400 /nfs/dbraw/zinc/05/74/00/721057400.db2.gz KUUGBPOYHPKYTH-NHCUHLMSSA-N 0 0 487.913 4.564 20 0 JJADRN O=C(c1cccnc1N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164774196 721059847 /nfs/dbraw/zinc/05/98/47/721059847.db2.gz VIROEAHYJNKLBY-JOMNFKBKSA-N 0 0 496.655 4.583 20 0 JJADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@H]2CCCO[C@H]12 ZINC001164764353 721068235 /nfs/dbraw/zinc/06/82/35/721068235.db2.gz HIGDDDDZKHOAPN-FUHIMQAGSA-N 0 0 492.979 4.513 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164876041 721219979 /nfs/dbraw/zinc/21/99/79/721219979.db2.gz ZRFBCTLVESSZFQ-UHFFFAOYSA-N 0 0 471.939 4.613 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3ccccn3)CCO4)c(Cl)nn2)c1 ZINC001164872031 721222811 /nfs/dbraw/zinc/22/28/11/721222811.db2.gz MNZRSDUCXJRWDE-UHFFFAOYSA-N 0 0 485.966 4.921 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]32)N=C1C ZINC001164871988 721227632 /nfs/dbraw/zinc/22/76/32/721227632.db2.gz MCONGLNUTLUVLR-JXHRLWIKSA-N 0 0 458.940 4.812 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@H]32)N=C1C ZINC001164874749 721233125 /nfs/dbraw/zinc/23/31/25/721233125.db2.gz SZDFOHLCNJBKNX-LERMDLETSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]32)N=C1C ZINC001164871624 721233135 /nfs/dbraw/zinc/23/31/35/721233135.db2.gz GXZKEZSKAXQKMJ-AYPBNUJASA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc(OCc5ccc(Cl)nc5)cc4)C[C@@H]32)N=C1C ZINC001164875735 721233673 /nfs/dbraw/zinc/23/36/73/721233673.db2.gz WLNNONBFMOTXDH-NSXLHWASSA-N 0 0 488.966 4.724 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(COCC4CC4)cnc3[C@@H]2C)n1 ZINC001164873144 721242579 /nfs/dbraw/zinc/24/25/79/721242579.db2.gz PUGYAPPHTUHHTA-KRWDZBQOSA-N 0 0 468.671 4.854 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164872363 721247696 /nfs/dbraw/zinc/24/76/96/721247696.db2.gz DCNQZXGSSLCJRA-NNWRFLSQSA-N 0 0 472.923 4.942 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164873305 721250999 /nfs/dbraw/zinc/25/09/99/721250999.db2.gz HNBNIQIXJQJKAT-QSFXBCCZSA-N 0 0 462.884 4.535 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164871903 721251701 /nfs/dbraw/zinc/25/17/01/721251701.db2.gz BUEAHCVTHUBAND-HJNYFJLDSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]21 ZINC001164767131 721252194 /nfs/dbraw/zinc/25/21/94/721252194.db2.gz VUMKCJSKDIDRLO-STZQEDGTSA-N 0 0 487.934 4.555 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164878222 721252249 /nfs/dbraw/zinc/25/22/49/721252249.db2.gz STIMGRWUEXKMER-BVSLBCMMSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)O1)c1ccccc1 ZINC001164878156 721254145 /nfs/dbraw/zinc/25/41/45/721254145.db2.gz SRWPZVDZVOPBTF-UUOWRZLLSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)O1)c1ccccc1 ZINC001164877116 721254172 /nfs/dbraw/zinc/25/41/72/721254172.db2.gz QCYZRJVZYDTZAX-DYESRHJHSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)O1)c1ccccc1 ZINC001164873367 721255011 /nfs/dbraw/zinc/25/50/11/721255011.db2.gz HSCPXOYYKAXDAX-NTKDMRAZSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)O1)c1ccccc1 ZINC001164878305 721255150 /nfs/dbraw/zinc/25/51/50/721255150.db2.gz UKTVYIRIDQASFB-KKSFZXQISA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)O1)c1ccccc1 ZINC001164879766 721257135 /nfs/dbraw/zinc/25/71/35/721257135.db2.gz YPXXZKMJWTVRAX-IIBYNOLFSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)O1)c1ccccc1 ZINC001164879765 721257225 /nfs/dbraw/zinc/25/72/25/721257225.db2.gz YPXXZKMJWTVRAX-IERDGZPVSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]21 ZINC001164764860 721259142 /nfs/dbraw/zinc/25/91/42/721259142.db2.gz QHQYEZCWMJNPGT-ZOCIIQOWSA-N 0 0 493.963 4.617 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)O1)c1ccccc1 ZINC001164876151 721259858 /nfs/dbraw/zinc/25/98/58/721259858.db2.gz OFUUBZMSJCOLNL-UUOWRZLLSA-N 0 0 475.967 4.717 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769171 721270548 /nfs/dbraw/zinc/27/05/48/721270548.db2.gz WPGBRQZXMGQSIS-UHFFFAOYSA-N 0 0 455.896 4.831 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766332 721275113 /nfs/dbraw/zinc/27/51/13/721275113.db2.gz DLPVIRONPYUVOB-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1cccc2c(Cl)nccc21)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770042 721275260 /nfs/dbraw/zinc/27/52/60/721275260.db2.gz SVTUYJXJYODGHJ-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767182 721275601 /nfs/dbraw/zinc/27/56/01/721275601.db2.gz HMQBPWMTIMPLGE-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1 ZINC001164874971 721296359 /nfs/dbraw/zinc/29/63/59/721296359.db2.gz FULVCXIVRLDZHN-OXJNMPFZSA-N 0 0 477.964 4.862 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)n1 ZINC001164775312 721303726 /nfs/dbraw/zinc/30/37/26/721303726.db2.gz VCZJAGIBTFQELB-HXUWFJFHSA-N 0 0 454.974 4.581 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(-c4ccccn4)n2)CCO3)c1 ZINC001164774361 721305070 /nfs/dbraw/zinc/30/50/70/721305070.db2.gz ANKLXEUQKXVJLS-DEOSSOPVSA-N 0 0 485.966 4.921 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880855 721313044 /nfs/dbraw/zinc/31/30/44/721313044.db2.gz SUCQJBLSOXUQPK-MORSLUCNSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]32)nn1 ZINC001164777215 721314234 /nfs/dbraw/zinc/31/42/34/721314234.db2.gz RSFMFBSJAZEZQL-WOJBJXKFSA-N 0 0 463.960 4.520 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164876926 721314533 /nfs/dbraw/zinc/31/45/33/721314533.db2.gz HIIFXIOAGNJBCA-ORYQWCPZSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880171 721314758 /nfs/dbraw/zinc/31/47/58/721314758.db2.gz PMQKHMDGWODLMR-MAODMQOUSA-N 0 0 472.923 4.800 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)c1 ZINC001164878522 721315233 /nfs/dbraw/zinc/31/52/33/721315233.db2.gz OWXARNDLSQIDJY-ONGXBYRLSA-N 0 0 490.913 4.939 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c(Cl)nn2)c1 ZINC001164878518 721315575 /nfs/dbraw/zinc/31/55/75/721315575.db2.gz OWXARNDLSQIDJY-IWMITWMQSA-N 0 0 490.913 4.939 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164879314 721316204 /nfs/dbraw/zinc/31/62/04/721316204.db2.gz RLXYVSJLGFPZDV-XFQXTVEOSA-N 0 0 461.896 4.998 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CC3)cc1 ZINC001164778293 721316177 /nfs/dbraw/zinc/31/61/77/721316177.db2.gz OUEWFSQNFYXDCN-UHFFFAOYSA-N 0 0 472.858 4.531 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164878384 721317964 /nfs/dbraw/zinc/31/79/64/721317964.db2.gz NPUOSIBTIZFEIY-KRWDZBQOSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164875513 721317980 /nfs/dbraw/zinc/31/79/80/721317980.db2.gz FVJSOARKQWJODG-QGZVFWFLSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164876477 721319840 /nfs/dbraw/zinc/31/98/40/721319840.db2.gz IDOUPOLTENFREQ-FQEVSTJZSA-N 0 0 486.925 4.981 20 0 JJADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164778256 721324475 /nfs/dbraw/zinc/32/44/75/721324475.db2.gz OKXIJCUODPJUQC-UHFFFAOYSA-N 0 0 497.933 4.620 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164776063 721326465 /nfs/dbraw/zinc/32/64/65/721326465.db2.gz CGSOAYMXZDKXEN-INIZCTEOSA-N 0 0 464.875 4.569 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164777054 721327102 /nfs/dbraw/zinc/32/71/02/721327102.db2.gz LECPCLVACAJATG-CQSZACIVSA-N 0 0 480.874 4.676 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)nc1Cl ZINC001164776743 721328258 /nfs/dbraw/zinc/32/82/58/721328258.db2.gz IFKQSTSPFXJABM-UHFFFAOYSA-N 0 0 453.961 4.854 20 0 JJADRN O=C(CC1CCC2(CC1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2)N1CC=CC1 ZINC001164778625 721328912 /nfs/dbraw/zinc/32/89/12/721328912.db2.gz XTULWBGFRFOBSM-HSZRJFAPSA-N 0 0 486.966 4.501 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164877154 721329119 /nfs/dbraw/zinc/32/91/19/721329119.db2.gz SRBQQJNHYWGTEF-UHFFFAOYSA-N 0 0 496.008 4.993 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164873254 721329891 /nfs/dbraw/zinc/32/98/91/721329891.db2.gz ASANJPDOAYGJOY-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)cs1 ZINC001164875546 721330468 /nfs/dbraw/zinc/33/04/68/721330468.db2.gz MIDHZSOJUIYUJP-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)cs1 ZINC001164873883 721332336 /nfs/dbraw/zinc/33/23/36/721332336.db2.gz DCKGIRDSECEDTB-MRXNPFEDSA-N 0 0 479.984 4.670 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2Cc3ccnn3C[C@H](COCc3csc(C)n3)C2)c1 ZINC001164876872 721332647 /nfs/dbraw/zinc/33/26/47/721332647.db2.gz RBPZKEFOVFHRBD-CQSZACIVSA-N 0 0 486.013 4.816 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164776640 721336832 /nfs/dbraw/zinc/33/68/32/721336832.db2.gz HKYWTSXGFSKNDE-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)C1 ZINC001164777355 721338249 /nfs/dbraw/zinc/33/82/49/721338249.db2.gz MGNZJSOAPXLKTE-VWLOTQADSA-N 0 0 468.001 4.521 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)C1 ZINC001164779441 721340307 /nfs/dbraw/zinc/34/03/07/721340307.db2.gz TUUUWKVPNJUHNC-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164882891 721345028 /nfs/dbraw/zinc/34/50/28/721345028.db2.gz IOKGSTXGEYVBLF-NFBKMPQASA-N 0 0 479.930 4.598 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164885841 721345092 /nfs/dbraw/zinc/34/50/92/721345092.db2.gz QMTPWXNADODGTF-OFNKIYASSA-N 0 0 479.930 4.598 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164777258 721349469 /nfs/dbraw/zinc/34/94/69/721349469.db2.gz FFQIFMRVAFHEHA-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)N1c1ccsc1 ZINC001164883727 721358496 /nfs/dbraw/zinc/35/84/96/721358496.db2.gz RQBHHAFBUXEUNN-HUUCEWRRSA-N 0 0 452.939 4.849 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164882570 721359485 /nfs/dbraw/zinc/35/94/85/721359485.db2.gz JSRWBZSOOJQWJS-PMACEKPBSA-N 0 0 475.643 4.866 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)N1c1ccsc1 ZINC001164881826 721360895 /nfs/dbraw/zinc/36/08/95/721360895.db2.gz FTSORNTYSJEQSB-ZWKOTPCHSA-N 0 0 464.900 4.927 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780027 721366281 /nfs/dbraw/zinc/36/62/81/721366281.db2.gz CKIIRCKUANAEMK-VWLOTQADSA-N 0 0 468.001 4.521 20 0 JJADRN COCCN1CCN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)Cc2cccnc21 ZINC001164888061 721368949 /nfs/dbraw/zinc/36/89/49/721368949.db2.gz TVHAARJGVCPDDS-UHFFFAOYSA-N 0 0 498.965 4.702 20 0 JJADRN COCCN1CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)Cc2cccnc21 ZINC001164888032 721369544 /nfs/dbraw/zinc/36/95/44/721369544.db2.gz SWEGANQIIHEGNT-UHFFFAOYSA-N 0 0 474.939 4.727 20 0 JJADRN Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C3)CC2=O)cn1 ZINC001164886855 721374229 /nfs/dbraw/zinc/37/42/29/721374229.db2.gz OZULPWZMHFVTKJ-QFIPXVFZSA-N 0 0 463.960 4.695 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164782513 721374525 /nfs/dbraw/zinc/37/45/25/721374525.db2.gz MELRUMLBHKKLGX-RUZDIDTESA-N 0 0 474.049 4.902 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785384 721374838 /nfs/dbraw/zinc/37/48/38/721374838.db2.gz RWNLOONAKDQTPF-SANMLTNESA-N 0 0 498.027 4.955 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164785383 721375006 /nfs/dbraw/zinc/37/50/06/721375006.db2.gz RWNLOONAKDQTPF-AREMUKBSSA-N 0 0 498.027 4.955 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164784586 721375225 /nfs/dbraw/zinc/37/52/25/721375225.db2.gz QMAXWEQCWIUWKR-VWLOTQADSA-N 0 0 484.000 4.646 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779430 721383252 /nfs/dbraw/zinc/38/32/52/721383252.db2.gz ANEPYOGUOALMRT-XXBNENTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164784535 721383290 /nfs/dbraw/zinc/38/32/90/721383290.db2.gz PYMZILCPQMFFOV-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164787939 721383862 /nfs/dbraw/zinc/38/38/62/721383862.db2.gz YKUZWEDAZHFYFR-IIBYNOLFSA-N 0 0 480.968 4.877 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl ZINC001164782492 721384813 /nfs/dbraw/zinc/38/48/13/721384813.db2.gz MADSNEJWGHSYTG-LAUBAEHRSA-N 0 0 469.985 4.989 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)c1 ZINC001164783834 721385390 /nfs/dbraw/zinc/38/53/90/721385390.db2.gz PSXMYVBDWOFPDR-DYESRHJHSA-N 0 0 469.985 4.989 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164785325 721385450 /nfs/dbraw/zinc/38/54/50/721385450.db2.gz RCEDABBTMXRLFF-FDDCHVKYSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786171 721385968 /nfs/dbraw/zinc/38/59/68/721385968.db2.gz UDOFYFFXWSSJJG-JPYJTQIMSA-N 0 0 474.939 4.815 20 0 JJADRN COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164781122 721415521 /nfs/dbraw/zinc/41/55/21/721415521.db2.gz BTOZLKDSIIFDTE-ROUUACIJSA-N 0 0 478.021 4.984 20 0 JJADRN Clc1ccc(-c2ccc(C3OCCCO3)c(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2)cn1 ZINC001164783841 721420731 /nfs/dbraw/zinc/42/07/31/721420731.db2.gz JHIWSXZULPAMDQ-BGYRXZFFSA-N 0 0 483.037 4.862 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164787256 721431121 /nfs/dbraw/zinc/43/11/21/721431121.db2.gz PSICTJOCLZBRJB-HDICACEKSA-N 0 0 463.632 4.529 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164783180 721438853 /nfs/dbraw/zinc/43/88/53/721438853.db2.gz NETQJXFTKKEJNY-CALCHBBNSA-N 0 0 461.969 4.675 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C)nc(Cl)c2)CCO3)cs1 ZINC001164787426 721442798 /nfs/dbraw/zinc/44/27/98/721442798.db2.gz XAQJVYRHGIUELH-UZLBHIALSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164785484 721443171 /nfs/dbraw/zinc/44/31/71/721443171.db2.gz RWNVNXVRULAHDF-SCLBCKFNSA-N 0 0 479.380 4.686 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(c2nc(Cl)ccc2CN2CCCC2)CCO3)cs1 ZINC001164788184 721443904 /nfs/dbraw/zinc/44/39/04/721443904.db2.gz ZGNLBOPJKURZFP-YKSBVNFPSA-N 0 0 477.074 4.688 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc(C)c(Cl)n2)CCO3)cs1 ZINC001164780990 721444082 /nfs/dbraw/zinc/44/40/82/721444082.db2.gz DMSCEOAIHCJZJB-JXFKEZNVSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CCO3)cs1 ZINC001164780455 721444394 /nfs/dbraw/zinc/44/43/94/721444394.db2.gz AXGLMXFIBYFSCD-BTYIYWSLSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CCO3)cs1 ZINC001164780456 721444492 /nfs/dbraw/zinc/44/44/92/721444492.db2.gz AXGLMXFIBYFSCD-QVKFZJNVSA-N 0 0 495.983 4.580 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CCO3)cs1 ZINC001164787240 721444520 /nfs/dbraw/zinc/44/45/20/721444520.db2.gz WNXRJUTWUPWLDB-UZLBHIALSA-N 0 0 472.989 4.649 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)cnc2Cl)c1 ZINC001164886613 721460518 /nfs/dbraw/zinc/46/05/18/721460518.db2.gz HZEJOAQSKALWHP-PCCBWWKXSA-N 0 0 461.940 4.518 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)C2=O)cs1 ZINC001164886662 721460957 /nfs/dbraw/zinc/46/09/57/721460957.db2.gz IEPVISQRKFHBJF-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)C2=O)cs1 ZINC001164885883 721460961 /nfs/dbraw/zinc/46/09/61/721460961.db2.gz FRVYTXWTRCXZNW-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)C2=O)cs1 ZINC001164891622 721461506 /nfs/dbraw/zinc/46/15/06/721461506.db2.gz VABQIWMSJHLLMI-NRFANRHFSA-N 0 0 477.968 4.612 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)C2=O)cs1 ZINC001164889079 721461889 /nfs/dbraw/zinc/46/18/89/721461889.db2.gz NIPBCDFCSREGCM-OAQYLSRUSA-N 0 0 493.967 4.719 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)Oc4ccc(Cl)nc4Cl)C3)C2=O)cs1 ZINC001164889123 721462098 /nfs/dbraw/zinc/46/20/98/721462098.db2.gz NRFYNHLYSRMQDQ-GOSISDBHSA-N 0 0 477.364 4.597 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]21 ZINC001164887619 721465348 /nfs/dbraw/zinc/46/53/48/721465348.db2.gz CYGIMMVWWQMWQP-URVUXULASA-N 0 0 495.737 4.885 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]21 ZINC001164887572 721466847 /nfs/dbraw/zinc/46/68/47/721466847.db2.gz BWUIBTRDMQLRBI-GHTZIAJQSA-N 0 0 463.956 4.942 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@@H]21 ZINC001164894669 721467082 /nfs/dbraw/zinc/46/70/82/721467082.db2.gz XGFLDTDZNFNKBF-FPOVZHCZSA-N 0 0 463.651 4.503 20 0 JJADRN CC(C)C(=O)N1CC[C@@H]2CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC[C@H]21 ZINC001164894671 721467313 /nfs/dbraw/zinc/46/73/13/721467313.db2.gz XGFLDTDZNFNKBF-TZIWHRDSSA-N 0 0 463.651 4.503 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164889050 721469866 /nfs/dbraw/zinc/46/98/66/721469866.db2.gz HFRPGUSOAMVGKO-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164893100 721469900 /nfs/dbraw/zinc/46/99/00/721469900.db2.gz RGHLQCUBMBVCAB-QGZVFWFLSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164894246 721470810 /nfs/dbraw/zinc/47/08/10/721470810.db2.gz WOQKKYXGCQFVKK-GOSISDBHSA-N 0 0 487.982 4.994 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)Cc3ccccc3CN(C)C4=O)c2c1C ZINC001164896778 721473494 /nfs/dbraw/zinc/47/34/94/721473494.db2.gz XYXJRNIPAHZFNS-UHFFFAOYSA-N 0 0 489.689 4.705 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164893494 721476058 /nfs/dbraw/zinc/47/60/58/721476058.db2.gz JYEOQTAAYVUBNP-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001164896446 721476063 /nfs/dbraw/zinc/47/60/63/721476063.db2.gz WJLQYEXKUNQPTR-DEOSSOPVSA-N 0 0 483.950 4.899 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164893495 721476239 /nfs/dbraw/zinc/47/62/39/721476239.db2.gz JYEOQTAAYVUBNP-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN CCOC[C@@H]1CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164789067 721477744 /nfs/dbraw/zinc/47/77/44/721477744.db2.gz ARBWJZPYIWKMPC-ICSRJNTNSA-N 0 0 494.709 4.676 20 0 JJADRN O=C(C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]21)N1CCC(F)CC1 ZINC001164893911 721479957 /nfs/dbraw/zinc/47/99/57/721479957.db2.gz FYRNYSUCYCKJME-GUXCAODWSA-N 0 0 497.945 4.589 20 0 JJADRN O=C(C[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2)NCC1CC1 ZINC001164894759 721485072 /nfs/dbraw/zinc/48/50/72/721485072.db2.gz IDFLNXUVNMGUQJ-JPYJTQIMSA-N 0 0 496.385 4.969 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164895710 721486298 /nfs/dbraw/zinc/48/62/98/721486298.db2.gz MXTVGTDFBBPQAB-KRWDZBQOSA-N 0 0 454.912 4.677 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164793936 721487692 /nfs/dbraw/zinc/48/76/92/721487692.db2.gz YJLXAMNCVXSNSA-DYZYQPBXSA-N 0 0 468.690 4.653 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164894335 721488258 /nfs/dbraw/zinc/48/82/58/721488258.db2.gz HKTAPHVZNRKMAT-QGZVFWFLSA-N 0 0 484.938 4.685 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164899023 721489627 /nfs/dbraw/zinc/48/96/27/721489627.db2.gz JFZOTDVQSUVKSF-ZDUSSCGKSA-N 0 0 485.362 4.526 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164898800 721491166 /nfs/dbraw/zinc/49/11/66/721491166.db2.gz IFLRDJROZZKVCS-OAHLLOKOSA-N 0 0 465.928 4.584 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164898687 721491258 /nfs/dbraw/zinc/49/12/58/721491258.db2.gz HZCCTNXYKTWGJE-INIZCTEOSA-N 0 0 467.988 4.593 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(SC)n3)CC2)c2ccc(C)cc21 ZINC001164901879 721491824 /nfs/dbraw/zinc/49/18/24/721491824.db2.gz WTQKFHUEPQCJJC-MRXNPFEDSA-N 0 0 482.000 4.617 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164895747 721500940 /nfs/dbraw/zinc/50/09/40/721500940.db2.gz FFWQIWJQDFNLBH-IBGZPJMESA-N 0 0 451.945 4.581 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164895102 721502861 /nfs/dbraw/zinc/50/28/61/721502861.db2.gz ALFJVMFLOQAALY-HXUWFJFHSA-N 0 0 496.961 4.629 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164897990 721505190 /nfs/dbraw/zinc/50/51/90/721505190.db2.gz PKKHALRBPOFFEF-IBGZPJMESA-N 0 0 484.934 4.864 20 0 JJADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)CC2 ZINC001164897552 721505379 /nfs/dbraw/zinc/50/53/79/721505379.db2.gz NGKFQXDASJHXSC-JOCHJYFZSA-N 0 0 498.961 4.897 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)c(Cl)nn2)c1 ZINC001164899232 721505568 /nfs/dbraw/zinc/50/55/68/721505568.db2.gz XRVUIBWNTTYYEZ-IBGZPJMESA-N 0 0 483.950 4.688 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC2)N1Cc1ccncc1 ZINC001164896539 721506177 /nfs/dbraw/zinc/50/61/77/721506177.db2.gz IGSKOMVHOJZAED-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1Cl ZINC001164899205 721506589 /nfs/dbraw/zinc/50/65/89/721506589.db2.gz XBLNFYFDDSPADQ-UHFFFAOYSA-N 0 0 452.958 4.558 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164801385 721539077 /nfs/dbraw/zinc/53/90/77/721539077.db2.gz FDESGBHAOIPXEO-ZCNNSNEGSA-N 0 0 494.373 4.745 20 0 JJADRN Cc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c23)cc1 ZINC001164805204 721547654 /nfs/dbraw/zinc/54/76/54/721547654.db2.gz LFORTMZELKUYAP-CUYJMHBOSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@@H]12 ZINC001164809419 721558966 /nfs/dbraw/zinc/55/89/66/721558966.db2.gz XEBBSJNUUZFLAR-QWFCFKBJSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164801637 721562607 /nfs/dbraw/zinc/56/26/07/721562607.db2.gz GYYOLRVFGJYYFI-KCZVDYSFSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@H]12 ZINC001164800318 721576168 /nfs/dbraw/zinc/57/61/68/721576168.db2.gz DTFNPFVSJZSHIH-ZDXQCDESSA-N 0 0 475.593 4.761 20 0 JJADRN COc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c23)cc1 ZINC001164806658 721577118 /nfs/dbraw/zinc/57/71/18/721577118.db2.gz QOCWXCFPDLRNFD-GIFXNVAJSA-N 0 0 487.629 4.630 20 0 JJADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164809490 721577352 /nfs/dbraw/zinc/57/73/52/721577352.db2.gz SMZRFHBRGBRYMN-WPFOTENUSA-N 0 0 486.645 4.633 20 0 JJADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164809487 721577645 /nfs/dbraw/zinc/57/76/45/721577645.db2.gz SMZRFHBRGBRYMN-AOHZBQACSA-N 0 0 486.645 4.633 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2ncc(Cl)nc2c1 ZINC001164902376 721577679 /nfs/dbraw/zinc/57/76/79/721577679.db2.gz KYFBJJGASFZZPM-NRFANRHFSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164904440 721578452 /nfs/dbraw/zinc/57/84/52/721578452.db2.gz QFYAUJXPFYVDOJ-HXUWFJFHSA-N 0 0 491.970 4.592 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809580 721578615 /nfs/dbraw/zinc/57/86/15/721578615.db2.gz UAJDLUYJNKAAJZ-RGSZASNESA-N 0 0 469.564 4.699 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164812292 721579030 /nfs/dbraw/zinc/57/90/30/721579030.db2.gz ZYPZHFDUFJUYMC-JTAQYXEDSA-N 0 0 477.659 4.991 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@@H]12 ZINC001164799278 721584490 /nfs/dbraw/zinc/58/44/90/721584490.db2.gz AJASNGZFYZYVFH-WMTXJRDZSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164808218 721585360 /nfs/dbraw/zinc/58/53/60/721585360.db2.gz QBYVVEGGOICOAJ-BDTNDASRSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@H]2CCCO[C@H]12 ZINC001164805830 721586579 /nfs/dbraw/zinc/58/65/79/721586579.db2.gz LZBCULMNLSCIPE-ZRBLBEILSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806954 721588297 /nfs/dbraw/zinc/58/82/97/721588297.db2.gz OFKIAJCDYIZOFM-MIZPHKNDSA-N 0 0 488.394 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164810858 721589627 /nfs/dbraw/zinc/58/96/27/721589627.db2.gz WLMUCOUBZIXDKU-KSEOMHKRSA-N 0 0 486.403 4.839 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808907 721589965 /nfs/dbraw/zinc/58/99/65/721589965.db2.gz ROCIHFSYCCHAMY-SYYKKAFVSA-N 0 0 486.403 4.839 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(Cl)nn2)cc1 ZINC001164804106 721591887 /nfs/dbraw/zinc/59/18/87/721591887.db2.gz IPODWJIAGAFIIV-HJOGWXRNSA-N 0 0 499.993 4.914 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)Oc3cccnc3Cl)CC2)Oc2ccccc21 ZINC001164811237 721593130 /nfs/dbraw/zinc/59/31/30/721593130.db2.gz WXBZBTQBDSEDDL-KRWDZBQOSA-N 0 0 479.955 4.980 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c1 ZINC001164802088 721601237 /nfs/dbraw/zinc/60/12/37/721601237.db2.gz QSUKEBQGVAIIKT-PGRDOPGGSA-N 0 0 465.928 4.593 20 0 JJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164803260 721604026 /nfs/dbraw/zinc/60/40/26/721604026.db2.gz UWSUVMYGOHTQJG-OAHLLOKOSA-N 0 0 473.351 4.511 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164804866 721605790 /nfs/dbraw/zinc/60/57/90/721605790.db2.gz ZWJSOROYWKDNNT-DEOSSOPVSA-N 0 0 488.419 4.738 20 0 JJADRN COc1ccc(C(F)(F)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1Cl ZINC001164797561 721605810 /nfs/dbraw/zinc/60/58/10/721605810.db2.gz BWZNLPPVAALKDY-HXUWFJFHSA-N 0 0 485.318 4.696 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1 ZINC001164806117 721606085 /nfs/dbraw/zinc/60/60/85/721606085.db2.gz RBNWSWUNHQQTNM-QFIPXVFZSA-N 0 0 494.373 4.929 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)C1 ZINC001164799607 721606882 /nfs/dbraw/zinc/60/68/82/721606882.db2.gz BEGCLCQSQAKHQB-QFIPXVFZSA-N 0 0 491.995 4.851 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164800537 721607465 /nfs/dbraw/zinc/60/74/65/721607465.db2.gz DYUBSOPIUPIMJX-KKSFZXQISA-N 0 0 483.346 4.738 20 0 JJADRN COCCN(C)c1nc(C2CCN([C@@H](F)c3ccnc(Cl)c3)CC2)cc2c1ncn2C(C)C ZINC001165007906 721692789 /nfs/dbraw/zinc/69/27/89/721692789.db2.gz GSTRFLNONGSJML-HSZRJFAPSA-N 0 0 475.012 4.991 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001165010053 721717872 /nfs/dbraw/zinc/71/78/72/721717872.db2.gz FFTNGZHHJRKDQB-UHFFFAOYSA-N 0 0 478.950 4.928 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c(Cl)nn2)cc1 ZINC001165009488 721728378 /nfs/dbraw/zinc/72/83/78/721728378.db2.gz XKZHXONKPJQKBN-JOCHJYFZSA-N 0 0 464.944 4.578 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cccnc1Cl)C[C@H]2c1ccccc1 ZINC001164909117 721739527 /nfs/dbraw/zinc/73/95/27/721739527.db2.gz BPAFBMXGYGIRJK-REWPJTCUSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(Cl)ncc1F)C[C@@H]2c1ccccc1 ZINC001164913146 721740856 /nfs/dbraw/zinc/74/08/56/721740856.db2.gz UKPCWZNXYVSVLY-AUSIDOKSSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc(Cl)ncc1F)C[C@H]2c1ccccc1 ZINC001164913148 721741097 /nfs/dbraw/zinc/74/10/97/721741097.db2.gz UKPCWZNXYVSVLY-WMZHIEFXSA-N 0 0 472.898 4.841 20 0 JJADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001165012392 721750508 /nfs/dbraw/zinc/75/05/08/721750508.db2.gz HCHOFPLKUBWLPM-UHFFFAOYSA-N 0 0 469.001 4.531 20 0 JJADRN CCOc1cc2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2cc1OCC ZINC001164910136 721754193 /nfs/dbraw/zinc/75/41/93/721754193.db2.gz OBSFXRXUKZTLEU-UHFFFAOYSA-N 0 0 473.577 4.610 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164910147 721755636 /nfs/dbraw/zinc/75/56/36/721755636.db2.gz OTSSJJVEWFCWIW-UHFFFAOYSA-N 0 0 475.980 4.892 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164912276 721761690 /nfs/dbraw/zinc/76/16/90/721761690.db2.gz XHFIPVIECGHCGU-UHFFFAOYSA-N 0 0 468.586 4.936 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164912134 721765388 /nfs/dbraw/zinc/76/53/88/721765388.db2.gz SSNRMZIZUJGKGS-UHFFFAOYSA-N 0 0 491.926 4.555 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001165014255 721769513 /nfs/dbraw/zinc/76/95/13/721769513.db2.gz BFNBBIYZWBEOST-LPHOPBHVSA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)[C@@H]2C1 ZINC001165014654 721769597 /nfs/dbraw/zinc/76/95/97/721769597.db2.gz DNYHZYBCYYXCPL-BLLLJJGKSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)[C@H]2C1 ZINC001165017507 721770655 /nfs/dbraw/zinc/77/06/55/721770655.db2.gz RDHYFWPAGUDPDF-WBMJQRKESA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001165014861 721770688 /nfs/dbraw/zinc/77/06/88/721770688.db2.gz GIZUMYRWSWLIKD-WFASDCNBSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)[C@@H]2C1 ZINC001165015315 721771282 /nfs/dbraw/zinc/77/12/82/721771282.db2.gz KMUGPNIGCPRAMS-DLBZAZTESA-N 0 0 458.896 4.676 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165017137 721772368 /nfs/dbraw/zinc/77/23/68/721772368.db2.gz QWWKCFUMDQRGAC-PMACEKPBSA-N 0 0 479.650 4.628 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)[C@H]2C1 ZINC001165018185 721772750 /nfs/dbraw/zinc/77/27/50/721772750.db2.gz UFJVJXHDZSJONJ-APWZRJJASA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)[C@H]2C1 ZINC001165019679 721772753 /nfs/dbraw/zinc/77/27/53/721772753.db2.gz XBLJDFWEZLBREV-APWZRJJASA-N 0 0 458.896 4.676 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001165014869 721773730 /nfs/dbraw/zinc/77/37/30/721773730.db2.gz GOWLBVJRDXQZAT-KXBFYZLASA-N 0 0 476.886 4.815 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165017276 721780908 /nfs/dbraw/zinc/78/09/08/721780908.db2.gz GDNCNQRVCQUIIW-SCTDSRPQSA-N 0 0 498.361 4.521 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001165018014 721785455 /nfs/dbraw/zinc/78/54/55/721785455.db2.gz HLQPNEACCDJKAM-QHCPKHFHSA-N 0 0 487.913 4.900 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165017467 721785485 /nfs/dbraw/zinc/78/54/85/721785485.db2.gz HEMLMECZSZQXJY-QHCPKHFHSA-N 0 0 485.922 4.640 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]2CN1c1cccnc1 ZINC001165022818 721792629 /nfs/dbraw/zinc/79/26/29/721792629.db2.gz OMMRVZWTHMGAGE-MGPUTAFESA-N 0 0 458.871 4.580 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915488 721803043 /nfs/dbraw/zinc/80/30/43/721803043.db2.gz KXFVAUISMPTDSW-NRFANRHFSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164914817 721803045 /nfs/dbraw/zinc/80/30/45/721803045.db2.gz GZBLNMVXSIXPNM-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915094 721807148 /nfs/dbraw/zinc/80/71/48/721807148.db2.gz HWVFDQUIVZPKTQ-UGKGYDQZSA-N 0 0 458.896 4.554 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164918878 721807944 /nfs/dbraw/zinc/80/79/44/721807944.db2.gz UKZSREBPNWUUQO-CVDCTZTESA-N 0 0 472.923 4.862 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915515 721809040 /nfs/dbraw/zinc/80/90/40/721809040.db2.gz BLQIMIXCOZBFJJ-FABXCBLPSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917200 721809057 /nfs/dbraw/zinc/80/90/57/721809057.db2.gz LBRCGEDIAIAKIN-PLQHRBFRSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164918547 721809099 /nfs/dbraw/zinc/80/90/99/721809099.db2.gz RIFNCGSFNRCNFI-AXAPSJFSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164918502 721809105 /nfs/dbraw/zinc/80/91/05/721809105.db2.gz QTCXHTDOABECSX-DIOULYMOSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919512 721809500 /nfs/dbraw/zinc/80/95/00/721809500.db2.gz YTJYLKQRXQULTA-GTCCEBARSA-N 0 0 492.979 4.999 20 0 JJADRN CSc1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1Cl ZINC001164918591 721810225 /nfs/dbraw/zinc/81/02/25/721810225.db2.gz RTBHVFGJGALWPP-OGHNNQOOSA-N 0 0 461.987 4.659 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164919160 721810481 /nfs/dbraw/zinc/81/04/81/721810481.db2.gz VYTSIVZYSBYYDP-XGHQBKJUSA-N 0 0 492.979 4.999 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC001164919473 721810718 /nfs/dbraw/zinc/81/07/18/721810718.db2.gz YBWMLCCARGEPGU-SRCQZFHVSA-N 0 0 461.987 4.659 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915395 721811245 /nfs/dbraw/zinc/81/12/45/721811245.db2.gz AGHFDPRTBSKGJK-GTCCEBARSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164916447 721811417 /nfs/dbraw/zinc/81/14/17/721811417.db2.gz HRBHOOHYRNVQGQ-LKUPVBHCSA-N 0 0 492.979 4.999 20 0 JJADRN COc1ccc2c(c1)nc(N1CCC3(CC1)c1ncc(C)n1CCN3C)cc2-c1ccccc1 ZINC001164917054 721819284 /nfs/dbraw/zinc/81/92/84/721819284.db2.gz AYBJWTUNXUSHQW-UHFFFAOYSA-N 0 0 453.590 4.856 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001164919911 721821056 /nfs/dbraw/zinc/82/10/56/721821056.db2.gz XVUAIJRCDUTVCK-UHFFFAOYSA-N 0 0 473.955 4.773 20 0 JJADRN Cc1nc(CN2CCOC[C@]3(CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)CCO3)C2)cs1 ZINC001164921633 721825676 /nfs/dbraw/zinc/82/56/76/721825676.db2.gz BSVWKHVBNQIIJG-GOSISDBHSA-N 0 0 498.263 4.568 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001165020916 721833192 /nfs/dbraw/zinc/83/31/92/721833192.db2.gz FRQCICOUQKRYGJ-UHFFFAOYSA-N 0 0 491.636 4.795 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164922746 721835963 /nfs/dbraw/zinc/83/59/63/721835963.db2.gz IJHLWZSTFDUPLJ-VFNWGFHPSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164923946 721836174 /nfs/dbraw/zinc/83/61/74/721836174.db2.gz LBGIJYAIHVSUCE-SPLOXXLWSA-N 0 0 495.361 4.536 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921149 721839164 /nfs/dbraw/zinc/83/91/64/721839164.db2.gz CAUNLKBHNFDNDC-SPLOXXLWSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164920640 721839235 /nfs/dbraw/zinc/83/92/35/721839235.db2.gz ABPJVUVXTYAZEC-QVKFZJNVSA-N 0 0 481.330 4.546 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc3ncc(Cl)nc3c2)CC1 ZINC001165021410 721839297 /nfs/dbraw/zinc/83/92/97/721839297.db2.gz MKFHHADRTPYQJR-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164922278 721839832 /nfs/dbraw/zinc/83/98/32/721839832.db2.gz GVISDGJTYRLPGT-KPZWWZAWSA-N 0 0 464.727 4.651 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)C2(c3ccc(Cl)nc3)CC2)CC1 ZINC001165031141 721845120 /nfs/dbraw/zinc/84/51/20/721845120.db2.gz UWZBQABJUJNSPI-UHFFFAOYSA-N 0 0 465.972 4.973 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[C@H]3CCC(=O)N4C)n2)CC1 ZINC001164934935 721893405 /nfs/dbraw/zinc/89/34/05/721893405.db2.gz UMCROLHWDMDEFB-RBUKOAKNSA-N 0 0 481.691 4.851 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@H]21)NC1CCC1 ZINC001164933403 721897428 /nfs/dbraw/zinc/89/74/28/721897428.db2.gz LMRBUOYPZWMUMX-CNDZOEFASA-N 0 0 493.957 4.986 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H](CO[C@H]4CC(=O)NC4CCC4)C3)c(Cl)nn2)cc1 ZINC001164935342 721897964 /nfs/dbraw/zinc/89/79/64/721897964.db2.gz VQSPJAQWYAWGSG-KPLVRAHFSA-N 0 0 490.982 4.550 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926502 721898331 /nfs/dbraw/zinc/89/83/31/721898331.db2.gz BRMPVKMDRYHGKJ-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928425 721899032 /nfs/dbraw/zinc/89/90/32/721899032.db2.gz OHUHITPSLGMHJQ-NRFANRHFSA-N 0 0 479.314 4.948 20 0 JJADRN O=C(C1=CC2(CCN(c3nc(Cl)ccc3CN3CCCC3)CC2)c2ccccc21)N1CCCC1 ZINC001164930090 721899643 /nfs/dbraw/zinc/89/96/43/721899643.db2.gz ZONFEPVWNHYSIO-UHFFFAOYSA-N 0 0 477.052 4.888 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)c2ccccc21)N1CCCC1 ZINC001164926560 721899667 /nfs/dbraw/zinc/89/96/67/721899667.db2.gz DMASXCCENZIFCU-UHFFFAOYSA-N 0 0 495.961 4.781 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)c2ccccc21)N1CCCC1 ZINC001164926432 721899689 /nfs/dbraw/zinc/89/96/89/721899689.db2.gz AMPJOVPLPHWGIZ-UHFFFAOYSA-N 0 0 483.950 4.714 20 0 JJADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165042642 721926251 /nfs/dbraw/zinc/92/62/51/721926251.db2.gz FLEASVQHTHFJAU-MRXNPFEDSA-N 0 0 476.877 4.662 20 0 JJADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN(C[C@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043652 721926363 /nfs/dbraw/zinc/92/63/63/721926363.db2.gz ORMNSLUVFCVCIN-CQSZACIVSA-N 0 0 476.877 4.662 20 0 JJADRN Clc1ccc2c(c1)nccc2N1CCN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165044595 721939839 /nfs/dbraw/zinc/93/98/39/721939839.db2.gz OGYHGTHBUPRIBH-UHFFFAOYSA-N 0 0 471.008 4.563 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164947610 721943671 /nfs/dbraw/zinc/94/36/71/721943671.db2.gz XXEDVDMXSUXKGL-UXHICEINSA-N 0 0 483.346 4.781 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C[C@H]21 ZINC001164949145 721959513 /nfs/dbraw/zinc/95/95/13/721959513.db2.gz UDCHJMKWXMWKIA-SXOMAYOGSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(-c5ccccc5)cc4)n3)C[C@@H]21 ZINC001164945447 721960409 /nfs/dbraw/zinc/96/04/09/721960409.db2.gz MLJNAWLLIRPTFV-RRPNLBNLSA-N 0 0 481.600 4.813 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]12 ZINC001164949972 721965501 /nfs/dbraw/zinc/96/55/01/721965501.db2.gz ZPATVJWPVJJWST-FYYLOGMGSA-N 0 0 456.924 4.597 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1Cl ZINC001164947084 721966536 /nfs/dbraw/zinc/96/65/36/721966536.db2.gz PBVALXOJHYYMFB-TZIWHRDSSA-N 0 0 451.970 4.771 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@]4(c5ccccc5)CCN(C(C)=O)[C@@H]4C3)nc(Cl)c2c1 ZINC001164948945 721967659 /nfs/dbraw/zinc/96/76/59/721967659.db2.gz VVLZSZQMJOYCNO-ZJSXRUAMSA-N 0 0 486.950 4.606 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@@H]12 ZINC001164949888 721967953 /nfs/dbraw/zinc/96/79/53/721967953.db2.gz ZFVORDJLBYTUHU-YLJYHZDGSA-N 0 0 456.320 4.582 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)nc1Cl ZINC001165051072 721988946 /nfs/dbraw/zinc/98/89/46/721988946.db2.gz MSPSTHYCAQJQRG-UHFFFAOYSA-N 0 0 452.914 4.845 20 0 JJADRN COC[C@]12COC[C@@H]1CN(c1nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948181 721994851 /nfs/dbraw/zinc/99/48/51/721994851.db2.gz FBHOZHDSGFNRNU-AVRWGWEMSA-N 0 0 484.691 4.751 20 0 JJADRN COC[C@@]12COC[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164952891 721995047 /nfs/dbraw/zinc/99/50/47/721995047.db2.gz QUIGITXYXGYZFZ-OSPHWJPCSA-N 0 0 470.664 4.505 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164951836 721998308 /nfs/dbraw/zinc/99/83/08/721998308.db2.gz NZAVRVDCWUVWJX-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001164953552 722003822 /nfs/dbraw/zinc/00/38/22/722003822.db2.gz RCSOTBUGGJHFGI-VXKWHMMOSA-N 0 0 497.046 4.865 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]21 ZINC001164952636 722005130 /nfs/dbraw/zinc/00/51/30/722005130.db2.gz OFGZBBPMPLJSAI-DLBZAZTESA-N 0 0 478.934 4.914 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001164950174 722005872 /nfs/dbraw/zinc/00/58/72/722005872.db2.gz CCTQUQSOVUPCSG-UONOGXRCSA-N 0 0 472.952 4.547 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)cs1 ZINC001164953161 722007116 /nfs/dbraw/zinc/00/71/16/722007116.db2.gz POBNAQBYJDNNJS-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)cnc2Cl)c1 ZINC001164955563 722011617 /nfs/dbraw/zinc/01/16/17/722011617.db2.gz WQMHSUTZQMTOIW-WMZHIEFXSA-N 0 0 478.971 4.654 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C3)C[C@H](NC(=O)N(C)C)CCO4)cnc2Cl)c1 ZINC001164955564 722011654 /nfs/dbraw/zinc/01/16/54/722011654.db2.gz WQMHSUTZQMTOIW-XXBNENTESA-N 0 0 478.971 4.654 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(C)nc(Cl)c2)C3)n1 ZINC001164957392 722025860 /nfs/dbraw/zinc/02/58/60/722025860.db2.gz BOGQNZNCHZHINW-IFMALSPDSA-N 0 0 451.945 4.884 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)n1 ZINC001164957450 722025954 /nfs/dbraw/zinc/02/59/54/722025954.db2.gz CCYPNHMGAPPJOY-GHTZIAJQSA-N 0 0 485.000 4.693 20 0 JJADRN COc1cc(C(F)(F)N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)cc(Cl)n1 ZINC001164958858 722025986 /nfs/dbraw/zinc/02/59/86/722025986.db2.gz GJTQKDCNECLBDV-SIKLNZKXSA-N 0 0 467.944 4.584 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c(Cl)n1 ZINC001164962137 722026457 /nfs/dbraw/zinc/02/64/57/722026457.db2.gz QBICGYAHMYYEAV-SIKLNZKXSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2nc(Cl)ccc2CN2CCCC2)C3)n1 ZINC001164964994 722026788 /nfs/dbraw/zinc/02/67/88/722026788.db2.gz YMMMMBMRYFOGJI-JYFHCDHNSA-N 0 0 471.045 4.627 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ccc2C)C3)n1 ZINC001164957953 722026800 /nfs/dbraw/zinc/02/68/00/722026800.db2.gz CHUUGNJGVOFRPC-UGKGYDQZSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)n1 ZINC001164962717 722026979 /nfs/dbraw/zinc/02/69/79/722026979.db2.gz RMJOHDAIRIDHGK-NZQKXSOJSA-N 0 0 489.954 4.519 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164962666 722028900 /nfs/dbraw/zinc/02/89/00/722028900.db2.gz YQDNZRWVYBDHTC-BBWFWOEESA-N 0 0 485.293 4.831 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164958338 722029555 /nfs/dbraw/zinc/02/95/55/722029555.db2.gz ONOCDIHZWYNKRT-JTAQYXEDSA-N 0 0 497.640 4.643 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001164960929 722029812 /nfs/dbraw/zinc/02/98/12/722029812.db2.gz VBTKTDHQBQDJTR-QKNQBKEWSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c(Cl)nn1 ZINC001164958426 722030333 /nfs/dbraw/zinc/03/03/33/722030333.db2.gz OYGSSPNKWKHUSI-UFYCRDLUSA-N 0 0 494.876 4.830 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164956513 722035425 /nfs/dbraw/zinc/03/54/25/722035425.db2.gz HJMGSUZNUSTOOC-RDPSFJRHSA-N 0 0 483.950 4.578 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccc(C(C)C)cc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164964751 722043250 /nfs/dbraw/zinc/04/32/50/722043250.db2.gz UZVOTPAANFTTSD-LVCYWYKZSA-N 0 0 489.954 4.993 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3O2)n1 ZINC001164960443 722043318 /nfs/dbraw/zinc/04/33/18/722043318.db2.gz KTEVCEDYFHTSLR-NOLJZWGESA-N 0 0 452.914 4.536 20 0 JJADRN O=C([C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)CC2)N1CCOCC1 ZINC001164959628 722046149 /nfs/dbraw/zinc/04/61/49/722046149.db2.gz QQYAPSABVIDVOP-IBGZPJMESA-N 0 0 498.014 4.562 20 0 JJADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@H]21 ZINC001164956954 722048777 /nfs/dbraw/zinc/04/87/77/722048777.db2.gz FNXKOMHCXYEGKO-MAUKXSAKSA-N 0 0 459.880 4.771 20 0 JJADRN Fc1ccc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1Cl ZINC001164957151 722049651 /nfs/dbraw/zinc/04/96/51/722049651.db2.gz HUFIMXUMTHRBSC-UHFFFAOYSA-N 0 0 458.875 4.908 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)c2ccccc21 ZINC001164958575 722050356 /nfs/dbraw/zinc/05/03/56/722050356.db2.gz NWGGORSVOSQNDV-UHFFFAOYSA-N 0 0 495.921 4.629 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@@H]3C)c1 ZINC001164964458 722062823 /nfs/dbraw/zinc/06/28/23/722062823.db2.gz GXXLHQIDDDRKEY-CYBMUJFWSA-N 0 0 469.323 4.526 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164965199 722064162 /nfs/dbraw/zinc/06/41/62/722064162.db2.gz JHFKVQGSWOKBKM-RBUKOAKNSA-N 0 0 460.937 4.897 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164964401 722065160 /nfs/dbraw/zinc/06/51/60/722065160.db2.gz GIZMPOXRNPAVQD-NEPJUHHUSA-N 0 0 453.729 4.537 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164966693 722065447 /nfs/dbraw/zinc/06/54/47/722065447.db2.gz WSJIUGCUSQDQKL-VQTJNVASSA-N 0 0 490.963 4.809 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)c1 ZINC001164966274 722065984 /nfs/dbraw/zinc/06/59/84/722065984.db2.gz POTDYTDFDYRHLQ-OALUTQOASA-N 0 0 475.952 4.600 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164968278 722078721 /nfs/dbraw/zinc/07/87/21/722078721.db2.gz ZHMOSGOTMDHPMF-UHFFFAOYSA-N 0 0 486.925 4.940 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969469 722080272 /nfs/dbraw/zinc/08/02/72/722080272.db2.gz KTZBZYPROMCQDD-ACIOBRDBSA-N 0 0 485.966 4.659 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]21 ZINC001164969391 722080404 /nfs/dbraw/zinc/08/04/04/722080404.db2.gz JOXVNPXNJOCEAX-WJPUGNRLSA-N 0 0 494.373 4.799 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968410 722082286 /nfs/dbraw/zinc/08/22/86/722082286.db2.gz CDYLBMBRQOQFEL-RBBKRZOGSA-N 0 0 489.925 4.826 20 0 JJADRN O=C1[C@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969710 722082487 /nfs/dbraw/zinc/08/24/87/722082487.db2.gz RDTYICPLLGOLRI-VXKWHMMOSA-N 0 0 489.925 4.826 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968301 722082805 /nfs/dbraw/zinc/08/28/05/722082805.db2.gz ALFRHELLCSUCGA-UHFFFAOYSA-N 0 0 469.879 4.867 20 0 JJADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CCO2 ZINC001164970528 722084332 /nfs/dbraw/zinc/08/43/32/722084332.db2.gz YRKRSJZMUNLOGS-OAQYLSRUSA-N 0 0 470.347 4.818 20 0 JJADRN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978395 722085588 /nfs/dbraw/zinc/08/55/88/722085588.db2.gz YWFYSFDLPBROPX-YSTOQKLRSA-N 0 0 493.721 4.543 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CCCn4c(Cn5cccn5)nnc4C3)c(Cl)nn2)cc1 ZINC001164974914 722089349 /nfs/dbraw/zinc/08/93/49/722089349.db2.gz OJANHZSWGSUSQY-UHFFFAOYSA-N 0 0 498.969 4.712 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]21 ZINC001164976402 722097800 /nfs/dbraw/zinc/09/78/00/722097800.db2.gz CUNWMWNWESMDBQ-SFHLNBCPSA-N 0 0 456.924 4.979 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@@H](NC(=O)N(C)C)c4ccccc4[C@H]3C2)n1 ZINC001164979136 722097959 /nfs/dbraw/zinc/09/79/59/722097959.db2.gz HFLAEYVBPHHHOD-DPLHUUCSSA-N 0 0 492.693 4.696 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]21 ZINC001164982820 722097963 /nfs/dbraw/zinc/09/79/63/722097963.db2.gz PGELQUGWHWOKBQ-GQIGUUNPSA-N 0 0 489.979 4.949 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164978283 722164122 /nfs/dbraw/zinc/16/41/22/722164122.db2.gz HHEIUJLMQRYXBI-XMSQKQJNSA-N 0 0 470.992 4.610 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164978279 722164245 /nfs/dbraw/zinc/16/42/45/722164245.db2.gz HHEIUJLMQRYXBI-PGRDOPGGSA-N 0 0 470.992 4.610 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164981206 722164545 /nfs/dbraw/zinc/16/45/45/722164545.db2.gz PMFKMAHLXNMYOG-JPYJTQIMSA-N 0 0 499.986 4.576 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164973309 722166078 /nfs/dbraw/zinc/16/60/78/722166078.db2.gz AYTHHIDQCXLNFQ-LAUBAEHRSA-N 0 0 473.948 4.707 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164977985 722170710 /nfs/dbraw/zinc/17/07/10/722170710.db2.gz OWSWVHUTSSNBEX-HKBOAZHASA-N 0 0 489.950 4.943 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5ccc(Cl)cc54)CC[C@H]32)cs1 ZINC001164984911 722174351 /nfs/dbraw/zinc/17/43/51/722174351.db2.gz GTVXDMOVMXTREE-RTBURBONSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)CC[C@@H]32)cs1 ZINC001164984484 722178386 /nfs/dbraw/zinc/17/83/86/722178386.db2.gz FAAZEXGJPPPTFP-ROUUACIJSA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[C@H]32)cs1 ZINC001164988972 722178441 /nfs/dbraw/zinc/17/84/41/722178441.db2.gz STCNLKAOHAKYJN-CVEARBPZSA-N 0 0 486.013 4.524 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cc(C(C)(C)C)sc54)CC[C@H]32)cs1 ZINC001164988011 722178569 /nfs/dbraw/zinc/17/85/69/722178569.db2.gz QBHJSXYTRXBDBQ-RTBURBONSA-N 0 0 457.669 4.624 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]32)cs1 ZINC001164987464 722178620 /nfs/dbraw/zinc/17/86/20/722178620.db2.gz NQJXYPKYMALMNX-YADHBBJMSA-N 0 0 477.659 4.993 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)CC[C@H]32)cs1 ZINC001164993554 722181183 /nfs/dbraw/zinc/18/11/83/722181183.db2.gz WLSYXBHWMBTWPC-RTBURBONSA-N 0 0 497.974 4.602 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(OCc5ccccc5)cc4Cl)CC[C@@H]32)cs1 ZINC001164988668 722184608 /nfs/dbraw/zinc/18/46/08/722184608.db2.gz NOBPMMNJCKAOGE-BJKOFHAPSA-N 0 0 485.053 4.949 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5sc6c(c54)CCCC6)CC[C@H]32)cs1 ZINC001164986748 722185050 /nfs/dbraw/zinc/18/50/50/722185050.db2.gz GJALIPAQHGFQNJ-UXHICEINSA-N 0 0 469.680 4.513 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)CC[C@H]32)cs1 ZINC001164986666 722185274 /nfs/dbraw/zinc/18/52/74/722185274.db2.gz GBEDTACDVHUSCM-PKTZIBPZSA-N 0 0 498.052 4.622 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(C)nc(-c5ccccc5)nc4Cl)CC[C@@H]32)cs1 ZINC001164987380 722185509 /nfs/dbraw/zinc/18/55/09/722185509.db2.gz KCVLMMAVQJPSDF-LEWJYISDSA-N 0 0 470.042 4.740 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC[C@@H]32)cs1 ZINC001164989009 722185942 /nfs/dbraw/zinc/18/59/42/722185942.db2.gz NSMZUPXKYBMGFG-OALUTQOASA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4C)CC[C@@H]32)cs1 ZINC001164992537 722186476 /nfs/dbraw/zinc/18/64/76/722186476.db2.gz WWMNEIVLCXHEJH-SIKLNZKXSA-N 0 0 486.041 4.865 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164990299 722187574 /nfs/dbraw/zinc/18/75/74/722187574.db2.gz LITRIHNTGURCNY-MRXNPFEDSA-N 0 0 487.378 4.583 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC1)C(=O)N2 ZINC001164990636 722187874 /nfs/dbraw/zinc/18/78/74/722187874.db2.gz MFWPOKSMCZHACL-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164991527 722189320 /nfs/dbraw/zinc/18/93/20/722189320.db2.gz RWQKRNGXETVGGC-UHFFFAOYSA-N 0 0 473.907 4.618 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(-c4ccc(C(C)C)cc4)nnc3Cl)[C@@H]2C1 ZINC001164998129 722217155 /nfs/dbraw/zinc/21/71/55/722217155.db2.gz UFDMLGHSEGUEPK-VLCRHTCISA-N 0 0 492.998 4.974 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164994748 722217327 /nfs/dbraw/zinc/21/73/27/722217327.db2.gz CYDZJBUQXBLMCP-XKQJLSEDSA-N 0 0 455.958 4.517 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)[C@@H]2C1 ZINC001164994724 722217527 /nfs/dbraw/zinc/21/75/27/722217527.db2.gz CRMLOFRAUILGQQ-PWIZWCRZSA-N 0 0 455.977 4.836 20 0 JJADRN O=C1C[C@@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000795 722220287 /nfs/dbraw/zinc/22/02/87/722220287.db2.gz YZFNQVCSCKKHPD-XMMPIXPASA-N 0 0 498.917 4.704 20 0 JJADRN O=C1C[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000005 722220350 /nfs/dbraw/zinc/22/03/50/722220350.db2.gz VCEPJABQKCEWLY-DEOSSOPVSA-N 0 0 498.917 4.704 20 0 JJADRN O=C1C[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000006 722220407 /nfs/dbraw/zinc/22/04/07/722220407.db2.gz VCEPJABQKCEWLY-XMMPIXPASA-N 0 0 498.917 4.704 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)c2ccccc21 ZINC001164999280 722220821 /nfs/dbraw/zinc/22/08/21/722220821.db2.gz PTSAUURSGBIPOO-UHFFFAOYSA-N 0 0 493.385 4.876 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)c2ccccc21 ZINC001164997412 722220903 /nfs/dbraw/zinc/22/09/03/722220903.db2.gz DHADAHDIOQBSIP-UHFFFAOYSA-N 0 0 483.950 4.618 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)n1 ZINC001164997382 722221160 /nfs/dbraw/zinc/22/11/60/722221160.db2.gz CTJJFWXGFUBLBE-IBGZPJMESA-N 0 0 478.996 4.977 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001165000001 722221436 /nfs/dbraw/zinc/22/14/36/722221436.db2.gz VAEZQQQXNGRIGK-NRFANRHFSA-N 0 0 489.950 4.647 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001165000243 722221685 /nfs/dbraw/zinc/22/16/85/722221685.db2.gz VVJCHQALLUFWCL-FQEVSTJZSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001165000305 722221715 /nfs/dbraw/zinc/22/17/15/722221715.db2.gz WFTSLYUCJGCSQJ-NRFANRHFSA-N 0 0 472.967 4.744 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)[C@@H]1Cc1cnn(C)c1 ZINC001164997995 722223292 /nfs/dbraw/zinc/22/32/92/722223292.db2.gz FZDGJNLOIVQCCF-WOJBJXKFSA-N 0 0 485.362 4.673 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@H]1Cc1cnn(C)c1 ZINC001165001351 722225840 /nfs/dbraw/zinc/22/58/40/722225840.db2.gz ZQFDHLFUKKXIED-RBUKOAKNSA-N 0 0 482.984 4.595 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001165000939 722226747 /nfs/dbraw/zinc/22/67/47/722226747.db2.gz WLQTYSBKAXFHCY-INIZCTEOSA-N 0 0 483.350 4.696 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(-c3cccs3)nnc2Cl)n1 ZINC001164999337 722227271 /nfs/dbraw/zinc/22/72/71/722227271.db2.gz LCIZJGZFTGXMEX-INIZCTEOSA-N 0 0 480.972 4.618 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)n1 ZINC001164998360 722227628 /nfs/dbraw/zinc/22/76/28/722227628.db2.gz BBJCJKUNAFXKBH-FQEVSTJZSA-N 0 0 488.970 4.864 20 0 JJADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)CCC2 ZINC001164999739 722228755 /nfs/dbraw/zinc/22/87/55/722228755.db2.gz OTNWNLRSEHVBMJ-UHFFFAOYSA-N 0 0 451.949 4.571 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001165001194 722247920 /nfs/dbraw/zinc/24/79/20/722247920.db2.gz OAPIVBKPTFSNIN-UHFFFAOYSA-N 0 0 455.852 4.631 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(C(=O)Nc5cccnc5)c4C3)c(Cl)nn2)c1 ZINC001165002448 722248289 /nfs/dbraw/zinc/24/82/89/722248289.db2.gz YKHMKNOVWNTUAU-UHFFFAOYSA-N 0 0 496.905 4.848 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001165001794 722248719 /nfs/dbraw/zinc/24/87/19/722248719.db2.gz VEWINGUWZVUPMA-UHFFFAOYSA-N 0 0 473.911 4.747 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCO2 ZINC001165001686 722248921 /nfs/dbraw/zinc/24/89/21/722248921.db2.gz SKKZEKYKQIVXPN-NRFANRHFSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCO2 ZINC001165000742 722249125 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UQLIQUDJTVALFJ-DLBZAZTESA-N 0 0 464.969 4.987 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001165009656 722273316 /nfs/dbraw/zinc/27/33/16/722273316.db2.gz QUTBGTOFVQCEOK-OAHLLOKOSA-N 0 0 461.987 4.983 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009872 722273444 /nfs/dbraw/zinc/27/34/44/722273444.db2.gz RDNFAUBBWDQOTR-DUXSXAKTSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007136 722273498 /nfs/dbraw/zinc/27/34/98/722273498.db2.gz BCBHXKNKIXUROU-ASUYLVSUSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010940 722273797 /nfs/dbraw/zinc/27/37/97/722273797.db2.gz XZCRRPBYCCUEEB-DUXSXAKTSA-N 0 0 471.335 4.731 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001359711883 1064260349 /nfs/dbraw/zinc/26/03/49/1064260349.db2.gz WLXYCPZIKBHSTJ-UHFFFAOYSA-N 0 0 451.606 4.846 20 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CWLDLODMCDPDRX-PGRDOPGGSA-N 0 0 488.627 4.593 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001359732787 1064287579 /nfs/dbraw/zinc/28/75/79/1064287579.db2.gz KSWZCWCMJGAUDB-OALUTQOASA-N 0 0 478.410 4.612 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001359732865 1064287850 /nfs/dbraw/zinc/28/78/50/1064287850.db2.gz MFGHRSXXOKXAPG-YLJYHZDGSA-N 0 0 450.649 4.717 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001545872153 1064287941 /nfs/dbraw/zinc/28/79/41/1064287941.db2.gz ILNLGKKQUNZNJT-HXUWFJFHSA-N 0 0 477.657 4.508 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2ccccn2)C1 ZINC001359732910 1064288368 /nfs/dbraw/zinc/28/83/68/1064288368.db2.gz NNVDWXWSTIFHSO-MQSCRBSSSA-N 0 0 454.663 4.966 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001545872685 1064288393 /nfs/dbraw/zinc/28/83/93/1064288393.db2.gz VUWKAWQIZDUGKR-SQJMNOBHSA-N 0 0 473.687 4.990 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001359733123 1064288875 /nfs/dbraw/zinc/28/88/75/1064288875.db2.gz SBOIJBAOCHUNSW-UUOWRZLLSA-N 0 0 458.603 4.838 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cc2CN1C(=O)OC(C)(C)C ZINC001545873533 1064289114 /nfs/dbraw/zinc/28/91/14/1064289114.db2.gz RRHDGYQMGASFQZ-MRXNPFEDSA-N 0 0 456.974 4.605 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)c1nc(C)cs1 ZINC001545873993 1064289905 /nfs/dbraw/zinc/28/99/05/1064289905.db2.gz FVEJNPZGOMHAGW-CQSZACIVSA-N 0 0 486.608 4.934 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1C[C@]1(C)CCCS1 ZINC001545873966 1064289924 /nfs/dbraw/zinc/28/99/24/1064289924.db2.gz FFMVGWSUHSDHRH-CPJSRVTESA-N 0 0 455.672 4.551 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccncc2)C1 ZINC001359733209 1064289715 /nfs/dbraw/zinc/28/97/15/1064289715.db2.gz UGWMOWVRFAYFAD-VSKRKVRLSA-N 0 0 468.646 4.559 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccncc2)C1 ZINC001359733208 1064289805 /nfs/dbraw/zinc/28/98/05/1064289805.db2.gz UGWMOWVRFAYFAD-FDFHNCONSA-N 0 0 468.646 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1C[C@@]1(C)CCCS1 ZINC001545873967 1064289941 /nfs/dbraw/zinc/28/99/41/1064289941.db2.gz FFMVGWSUHSDHRH-NBGIEHNGSA-N 0 0 455.672 4.551 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)C1 ZINC001359733336 1064290504 /nfs/dbraw/zinc/29/05/04/1064290504.db2.gz WTIJLQJLMWEUGV-MSOLQXFVSA-N 0 0 471.593 4.852 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC(C)(C)c1ccccn1 ZINC001545874263 1064290478 /nfs/dbraw/zinc/29/04/78/1064290478.db2.gz MPXPOAARMWCWKD-UHFFFAOYSA-N 0 0 480.579 4.738 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C[C@H]1CCCSC1 ZINC001545874299 1064290559 /nfs/dbraw/zinc/29/05/59/1064290559.db2.gz NHWRBNVOTFZLNV-VQTJNVASSA-N 0 0 473.662 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccccc1COC ZINC001545874365 1064290617 /nfs/dbraw/zinc/29/06/17/1064290617.db2.gz OVGJHIHCOJRXOJ-UHFFFAOYSA-N 0 0 481.563 4.560 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359733660 1064291124 /nfs/dbraw/zinc/29/11/24/1064291124.db2.gz DUQCUUVLRSZVNU-DENIHFKCSA-N 0 0 464.452 4.992 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C(N)=O)c1 ZINC001359733793 1064291877 /nfs/dbraw/zinc/29/18/77/1064291877.db2.gz GTCIFVSZVRRPIP-QGZVFWFLSA-N 0 0 488.455 4.736 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)OC(C)(C)C ZINC001359733698 1064292027 /nfs/dbraw/zinc/29/20/27/1064292027.db2.gz FLJJQMYZVWEQBJ-GOSISDBHSA-N 0 0 478.435 4.857 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC(C)(C)C1 ZINC001359733844 1064292066 /nfs/dbraw/zinc/29/20/66/1064292066.db2.gz HTQUUHJWWSMCQP-HSZRJFAPSA-N 0 0 453.675 4.978 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCCNC(=O)OC(C)(C)C 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457.477 4.513 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3coc4ccccc43)n2)cc1 ZINC001434904761 1064332338 /nfs/dbraw/zinc/33/23/38/1064332338.db2.gz AGUZGEZLTULDFJ-UHFFFAOYSA-N 0 0 455.561 4.839 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001434905049 1064332366 /nfs/dbraw/zinc/33/23/66/1064332366.db2.gz CCKWDLZUQWJTLE-HXUWFJFHSA-N 0 0 455.574 4.833 20 0 JJADRN Cc1ccc(OC[C@@H](C)NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC001434904646 1064332408 /nfs/dbraw/zinc/33/24/08/1064332408.db2.gz BCFFRTAKEMDPCW-HXUWFJFHSA-N 0 0 458.587 4.919 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2s1 ZINC001434905087 1064332450 /nfs/dbraw/zinc/33/24/50/1064332450.db2.gz QPZIDRMFGDAGFN-LBPRGKRZSA-N 0 0 458.927 4.510 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3cscc3Cl)n2)cc1 ZINC001434905243 1064332633 /nfs/dbraw/zinc/33/26/33/1064332633.db2.gz DNZNFPVDYZEYIJ-UHFFFAOYSA-N 0 0 456.014 4.808 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCOC(F)(F)F)CCO1 ZINC001359748123 1064332693 /nfs/dbraw/zinc/33/26/93/1064332693.db2.gz PASDRGMSVRVTER-GFCCVEGCSA-N 0 0 483.354 4.557 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC001434906451 1064333250 /nfs/dbraw/zinc/33/32/50/1064333250.db2.gz SNXKVVBSVAYWRS-QGZVFWFLSA-N 0 0 456.283 4.875 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)CCS1 ZINC001359748228 1064333404 /nfs/dbraw/zinc/33/34/04/1064333404.db2.gz RDIYSRRLQXLDPT-LJQANCHMSA-N 0 0 479.984 4.929 20 0 JJADRN COc1ccc(C)cc1CNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001434906554 1064333843 /nfs/dbraw/zinc/33/38/43/1064333843.db2.gz LFNFPPIZDDIXBP-MRXNPFEDSA-N 0 0 451.348 4.883 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2CC(F)(F)C2)CCO1 ZINC001359748331 1064334078 /nfs/dbraw/zinc/33/40/78/1064334078.db2.gz SVVWARHLUNCMQP-KRWDZBQOSA-N 0 0 455.347 4.614 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCCC2)CCS1 ZINC001359748327 1064334231 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CBLMGMJZSCLLEZ-QGZVFWFLSA-N 0 0 465.392 4.818 20 0 JJADRN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cnc(Br)c(Br)c2)c1C ZINC001434910363 1064337024 /nfs/dbraw/zinc/33/70/24/1064337024.db2.gz NQRURBDOPROSLU-UHFFFAOYSA-N 0 0 451.162 4.943 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC001434911200 1064337580 /nfs/dbraw/zinc/33/75/80/1064337580.db2.gz QAKNSBDKPLSOOV-IBGZPJMESA-N 0 0 457.315 4.974 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CCS1 ZINC001359749587 1064338065 /nfs/dbraw/zinc/33/80/65/1064338065.db2.gz URYDIDVKYMOFJT-MNAQKMTRSA-N 0 0 473.712 4.562 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001359750218 1064338556 /nfs/dbraw/zinc/33/85/56/1064338556.db2.gz IIAVXAMTWLTHTG-SFTDATJTSA-N 0 0 482.547 4.508 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CCS1 ZINC001359750133 1064338595 /nfs/dbraw/zinc/33/85/95/1064338595.db2.gz GGVJWGMKXROBDB-VQTJNVASSA-N 0 0 459.660 4.718 20 0 JJADRN 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ZINC001434940554 1064363487 /nfs/dbraw/zinc/36/34/87/1064363487.db2.gz WGJBLORLXLXIFS-HNNXBMFYSA-N 0 0 450.493 4.654 20 0 JJADRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001434940968 1064363595 /nfs/dbraw/zinc/36/35/95/1064363595.db2.gz VNGWFUDUXBIXBL-UHFFFAOYSA-N 0 0 455.507 4.531 20 0 JJADRN Cc1c([C@@H](C)NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)cnn1-c1ccc(F)cc1 ZINC001434940556 1064363612 /nfs/dbraw/zinc/36/36/12/1064363612.db2.gz WGJBLORLXLXIFS-OAHLLOKOSA-N 0 0 450.493 4.654 20 0 JJADRN Cc1cc(I)cc(C(=O)N(C)C(C)(C)c2ccc3c(c2)OCO3)c1C ZINC001434941549 1064363650 /nfs/dbraw/zinc/36/36/50/1064363650.db2.gz BPXMIULHUICKJE-UHFFFAOYSA-N 0 0 451.304 4.644 20 0 JJADRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001434943362 1064364903 /nfs/dbraw/zinc/36/49/03/1064364903.db2.gz KDGQLYSFUJEWMJ-UHFFFAOYSA-N 0 0 457.918 4.985 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1 ZINC001359759741 1064365797 /nfs/dbraw/zinc/36/57/97/1064365797.db2.gz LEHDKHCVVZOPIC-FDDCHVKYSA-N 0 0 487.073 4.754 20 0 JJADRN O=C(Nc1cccc(OCC(F)(F)F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001434944634 1064365863 /nfs/dbraw/zinc/36/58/63/1064365863.db2.gz WZWCHKVBZDGJPU-UHFFFAOYSA-N 0 0 459.461 4.882 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001359759725 1064365874 /nfs/dbraw/zinc/36/58/74/1064365874.db2.gz LBSXDUOLOQGZPU-AUSIDOKSSA-N 0 0 473.543 4.980 20 0 JJADRN CN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001434946104 1064366452 /nfs/dbraw/zinc/36/64/52/1064366452.db2.gz WIURGDBNIUJQNK-QHCPKHFHSA-N 0 0 452.436 4.886 20 0 JJADRN CSc1cc2c(cc1NC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)OCCO2 ZINC001434945973 1064366587 /nfs/dbraw/zinc/36/65/87/1064366587.db2.gz UAUJKKVSYRIUTJ-JKSUJKDBSA-N 0 0 450.601 4.982 20 0 JJADRN COc1cccc(C(=O)NCCNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)c1 ZINC001434947030 1064367300 /nfs/dbraw/zinc/36/73/00/1064367300.db2.gz QZTZQBLPCXYVJQ-UHFFFAOYSA-N 0 0 453.542 4.687 20 0 JJADRN 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CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359761595 1064372321 /nfs/dbraw/zinc/37/23/21/1064372321.db2.gz JAEKMVVZZHTGOW-SIKLNZKXSA-N 0 0 473.568 4.973 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359761484 1064372402 /nfs/dbraw/zinc/37/24/02/1064372402.db2.gz IDBNMSRUJIKSGO-SSPYTLHUSA-N 0 0 458.622 4.711 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001359761680 1064373085 /nfs/dbraw/zinc/37/30/85/1064373085.db2.gz KMCBXOMDICATAC-ZWCUEREDSA-N 0 0 458.569 4.527 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1 ZINC001359761710 1064373124 /nfs/dbraw/zinc/37/31/24/1064373124.db2.gz KZVJRHCNZNGOSA-CDXJDZJCSA-N 0 0 450.986 4.804 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761662 1064373170 /nfs/dbraw/zinc/37/31/70/1064373170.db2.gz KEUUUCNKMNRQKS-NQIIRXRSSA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCO1 ZINC001359761709 1064373192 /nfs/dbraw/zinc/37/31/92/1064373192.db2.gz KZVJRHCNZNGOSA-BLIXFSHQSA-N 0 0 450.986 4.804 20 0 JJADRN CNC(=O)c1ccc(CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C2CC2)cc1 ZINC001434953072 1064373700 /nfs/dbraw/zinc/37/37/00/1064373700.db2.gz JRHDOKGXYPZWSL-UHFFFAOYSA-N 0 0 455.274 4.632 20 0 JJADRN Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001434955006 1064374295 /nfs/dbraw/zinc/37/42/95/1064374295.db2.gz UVRZCZMOEUUAID-UHFFFAOYSA-N 0 0 456.472 4.765 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001359762332 1064374964 /nfs/dbraw/zinc/37/49/64/1064374964.db2.gz SWDCGPDCAQLNSN-JKSBSHDWSA-N 0 0 456.541 4.662 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359762297 1064375020 /nfs/dbraw/zinc/37/50/20/1064375020.db2.gz SQRYTJJAZJAMLW-OFNKIYASSA-N 0 0 458.622 4.853 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCC[C@H]3C)nnc2-c2ccco2)cc1 ZINC001434959364 1064375014 /nfs/dbraw/zinc/37/50/14/1064375014.db2.gz VLUYFGQRHRBVHR-MSOLQXFVSA-N 0 0 454.596 4.961 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ncsc1Br ZINC001434960621 1064375948 /nfs/dbraw/zinc/37/59/48/1064375948.db2.gz BOHQLHZHIWTTDZ-QGZVFWFLSA-N 0 0 456.365 4.814 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br ZINC001359762551 1064376019 /nfs/dbraw/zinc/37/60/19/1064376019.db2.gz WKHOANWTWYGZKY-RXVVDRJESA-N 0 0 485.430 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359762732 1064376581 /nfs/dbraw/zinc/37/65/81/1064376581.db2.gz YTWHTOZIZRNFJR-LZQZEXGQSA-N 0 0 472.939 4.817 20 0 JJADRN Cc1ccc(CCC(=O)NCCOC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC001434961198 1064376571 /nfs/dbraw/zinc/37/65/71/1064376571.db2.gz FDKQCVYSVXCANQ-UHFFFAOYSA-N 0 0 459.571 4.815 20 0 JJADRN O=C(CCCOc1cccc2ccccc21)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 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0 0 456.505 4.841 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001359764020 1064382483 /nfs/dbraw/zinc/38/24/83/1064382483.db2.gz TXJFSUKESLOVBD-YWNPBTLJSA-N 0 0 463.022 4.575 20 0 JJADRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434966638 1064382759 /nfs/dbraw/zinc/38/27/59/1064382759.db2.gz CAAWZYCECHRCGW-UOVPBQLFSA-N 0 0 456.505 4.841 20 0 JJADRN COc1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)c(C(F)(F)F)c1 ZINC001434967228 1064382931 /nfs/dbraw/zinc/38/29/31/1064382931.db2.gz LMTAYDGCVFEGCT-UHFFFAOYSA-N 0 0 454.246 4.592 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(F)F)C2)c1 ZINC001359764393 1064383082 /nfs/dbraw/zinc/38/30/82/1064383082.db2.gz AAHWXDCQRFNWPN-UYAOXDASSA-N 0 0 461.557 4.644 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001359764227 1064383095 /nfs/dbraw/zinc/38/30/95/1064383095.db2.gz XKSIMSVKKJGCSM-WBADGQHESA-N 0 0 462.679 4.511 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359764271 1064383163 /nfs/dbraw/zinc/38/31/63/1064383163.db2.gz YBWDTPPKTNWNGY-ZJSXRUAMSA-N 0 0 485.579 4.953 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001359764224 1064383172 /nfs/dbraw/zinc/38/31/72/1064383172.db2.gz XKSIMSVKKJGCSM-BXXSPATCSA-N 0 0 462.679 4.511 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2cccc(Br)c2)c1 ZINC001434967913 1064383575 /nfs/dbraw/zinc/38/35/75/1064383575.db2.gz XCGHNMVUHOJACD-UHFFFAOYSA-N 0 0 458.805 4.604 20 0 JJADRN Cc1ccccc1CC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001434967892 1064383618 /nfs/dbraw/zinc/38/36/18/1064383618.db2.gz NOMMIOLEVNJGDT-JOCHJYFZSA-N 0 0 452.551 4.733 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccn2)c1 ZINC001359764575 1064384490 /nfs/dbraw/zinc/38/44/90/1064384490.db2.gz DXJZIEDSTKHWAR-JOCHJYFZSA-N 0 0 483.016 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NC(=O)CCc2ccsc2)c1 ZINC001434969261 1064385159 /nfs/dbraw/zinc/38/51/59/1064385159.db2.gz VPQWEOSNVFNFNA-HXUWFJFHSA-N 0 0 458.580 4.876 20 0 JJADRN C[C@H](NC(=O)CCc1cc(Br)ccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434969161 1064385176 /nfs/dbraw/zinc/38/51/76/1064385176.db2.gz SVJSRHWYCSNVQU-HOCLYGCPSA-N 0 0 457.384 4.673 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)C[C@H](C)C2)c1 ZINC001359764771 1064385469 /nfs/dbraw/zinc/38/54/69/1064385469.db2.gz IZGONJQQBZHMEU-OYRHEFFESA-N 0 0 460.626 4.779 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001434970906 1064385692 /nfs/dbraw/zinc/38/56/92/1064385692.db2.gz CIUGMFCTQCEMGS-HIFRSBDPSA-N 0 0 459.812 4.797 20 0 JJADRN CC(C)C[C@H](C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001434969900 1064385767 /nfs/dbraw/zinc/38/57/67/1064385767.db2.gz WBTXIDGXTWWRDW-WFXMFSGNSA-N 0 0 451.394 4.579 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@]3(C2)CCCOC3)c1 ZINC001359764957 1064386000 /nfs/dbraw/zinc/38/60/00/1064386000.db2.gz MSGYZBIFWLNGMO-HHHXNRCGSA-N 0 0 467.658 4.907 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(N3CCC[C@H]3C(C)C)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001359765246 1064386801 /nfs/dbraw/zinc/38/68/01/1064386801.db2.gz SQGMFROUFZWBIX-RBJSKKJNSA-N 0 0 497.684 4.976 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001434973839 1064388662 /nfs/dbraw/zinc/38/86/62/1064388662.db2.gz KWFMZTKJYAEXHW-UHFFFAOYSA-N 0 0 453.340 4.696 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCCNC(=O)CC3CCCCC3)c3c(C)noc3n2)c(C)s1 ZINC001434974835 1064389448 /nfs/dbraw/zinc/38/94/48/1064389448.db2.gz GUZLDNOUAHLTPF-UHFFFAOYSA-N 0 0 454.596 4.693 20 0 JJADRN CC1(C)Cc2cccc(C(=O)N3CCC(C(=O)Nc4ccccc4Br)CC3)c2O1 ZINC001434974560 1064389481 /nfs/dbraw/zinc/38/94/81/1064389481.db2.gz CRJGIBLKCJAHKB-UHFFFAOYSA-N 0 0 457.368 4.654 20 0 JJADRN O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccsc1)c1ccccc1 ZINC001434975188 1064390553 /nfs/dbraw/zinc/39/05/53/1064390553.db2.gz JJKHGXZSTZQMEU-UHFFFAOYSA-N 0 0 458.580 4.909 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001434975054 1064390614 /nfs/dbraw/zinc/39/06/14/1064390614.db2.gz PHNAGKBNHMEHCQ-RLWLMLJZSA-N 0 0 453.583 4.770 20 0 JJADRN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC001434976026 1064391411 /nfs/dbraw/zinc/39/14/11/1064391411.db2.gz HHIXOJVHNRAUCY-UHFFFAOYSA-N 0 0 456.315 4.627 20 0 JJADRN CCCCNC(=O)C1(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)CCCCC1 ZINC001434977235 1064392610 /nfs/dbraw/zinc/39/26/10/1064392610.db2.gz LRMGHPFYPMIUAC-UHFFFAOYSA-N 0 0 452.521 4.985 20 0 JJADRN CCOC(=O)C1(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)Cc2ccccc2C1 ZINC001434977741 1064393433 /nfs/dbraw/zinc/39/34/33/1064393433.db2.gz SWXBWVSHWSIUAX-HNNXBMFYSA-N 0 0 454.979 4.586 20 0 JJADRN O=C(CSc1ccccc1Br)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001434978003 1064393539 /nfs/dbraw/zinc/39/35/39/1064393539.db2.gz NAQYYZLKJYXSQL-UHFFFAOYSA-N 0 0 451.361 4.558 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3ccsc3)c3ccccc3)C2)cc1 ZINC001434978719 1064394558 /nfs/dbraw/zinc/39/45/58/1064394558.db2.gz YCMNXRPTKSAMPW-NRFANRHFSA-N 0 0 454.617 4.691 20 0 JJADRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)c1 ZINC001434978368 1064394757 /nfs/dbraw/zinc/39/47/57/1064394757.db2.gz LSPUAZGNGGGCND-UHFFFAOYSA-N 0 0 454.933 4.886 20 0 JJADRN COCc1c(Br)cccc1NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001434979282 1064395345 /nfs/dbraw/zinc/39/53/45/1064395345.db2.gz VBQCZJFPUBGNKT-UHFFFAOYSA-N 0 0 456.127 4.735 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)N(C)C(C)C)ccc3Cl)CCC2=O)cc1C ZINC001434978973 1064395464 /nfs/dbraw/zinc/39/54/64/1064395464.db2.gz PKYXWMALNQSSII-IBGZPJMESA-N 0 0 455.986 4.819 20 0 JJADRN C[C@]1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCc2ccccc2C1 ZINC001434980053 1064396367 /nfs/dbraw/zinc/39/63/67/1064396367.db2.gz ZCCJEKPCZVKLKN-DEOSSOPVSA-N 0 0 455.396 4.821 20 0 JJADRN O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001434979760 1064396419 /nfs/dbraw/zinc/39/64/19/1064396419.db2.gz UKMLYXVUYKTALB-UHFFFAOYSA-N 0 0 457.317 4.719 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)CCCOc3ccc4c(c3)CCC4)s2)c1 ZINC001434981530 1064397891 /nfs/dbraw/zinc/39/78/91/1064397891.db2.gz GEXMNIRANHTZSQ-UHFFFAOYSA-N 0 0 450.560 4.807 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)s2)c1 ZINC001434981604 1064397905 /nfs/dbraw/zinc/39/79/05/1064397905.db2.gz HWIPHIVTBSIJGC-UHFFFAOYSA-N 0 0 455.845 4.840 20 0 JJADRN COC[C@@]1(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CCCCN1C(=O)OC(C)(C)C ZINC001434981470 1064398030 /nfs/dbraw/zinc/39/80/30/1064398030.db2.gz HWYPECDJWIBRCF-IVZQSRNASA-N 0 0 459.414 4.847 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)NCc2cc(Br)ccc2OC(F)F)cc1OC ZINC001434984873 1064400992 /nfs/dbraw/zinc/40/09/92/1064400992.db2.gz VBEZYJSXXANRIJ-GFCCVEGCSA-N 0 0 458.299 4.563 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1I)[C@@H]1C[C@H]1c1ccncc1 ZINC001434984610 1064401052 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O=C(Cc1ccc(Br)s1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC001434987374 1064403707 /nfs/dbraw/zinc/40/37/07/1064403707.db2.gz LGCGWSKCYURIFZ-UHFFFAOYSA-N 0 0 455.377 4.824 20 0 JJADRN Cc1cccc(N(CCC(N)=O)C(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1 ZINC001434988716 1064404274 /nfs/dbraw/zinc/40/42/74/1064404274.db2.gz GXHJUPPXMJIMHO-NRFANRHFSA-N 0 0 459.631 4.847 20 0 JJADRN Cc1ccccc1C(C)(C)CNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001434989322 1064405105 /nfs/dbraw/zinc/40/51/05/1064405105.db2.gz SKDDHZQHCSJQNT-UHFFFAOYSA-N 0 0 456.652 4.740 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)C2)cc1 ZINC001434989000 1064405147 /nfs/dbraw/zinc/40/51/47/1064405147.db2.gz MUWCTPOIBHZLKQ-FPGHNAPASA-N 0 0 458.961 4.802 20 0 JJADRN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nnn(-c2ccccc2)c1C(F)F ZINC001434990948 1064406871 /nfs/dbraw/zinc/40/68/71/1064406871.db2.gz RRFNCGCKISGEBY-UHFFFAOYSA-N 0 0 450.327 4.526 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(O[C@@H]4CC4(F)F)cc3)cc2)cc1 ZINC001434991298 1064406880 /nfs/dbraw/zinc/40/68/80/1064406880.db2.gz GQEKOEHMFJZLAW-OAQYLSRUSA-N 0 0 459.470 4.921 20 0 JJADRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(O[C@H]4CC4(F)F)cc3)cc2)cc1 ZINC001434991286 1064406939 /nfs/dbraw/zinc/40/69/39/1064406939.db2.gz GQEKOEHMFJZLAW-NRFANRHFSA-N 0 0 459.470 4.921 20 0 JJADRN C[C@@H](Sc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001434993680 1064408273 /nfs/dbraw/zinc/40/82/73/1064408273.db2.gz KZEBMSNAPYVNDD-FOIQADDNSA-N 0 0 456.505 4.515 20 0 JJADRN C[C@H](Sc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001434993683 1064408337 /nfs/dbraw/zinc/40/83/37/1064408337.db2.gz KZEBMSNAPYVNDD-YWZLYKJASA-N 0 0 456.505 4.515 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)cc2)C[C@H](C)O1 ZINC001434993283 1064408379 /nfs/dbraw/zinc/40/83/79/1064408379.db2.gz WJPZXNASRLQKPQ-HDICACEKSA-N 0 0 455.986 4.832 20 0 JJADRN CCCCN(Cc1ccccc1F)C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC001434994565 1064408993 /nfs/dbraw/zinc/40/89/93/1064408993.db2.gz PSDLUVYZTCIBHN-UHFFFAOYSA-N 0 0 456.377 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001434994658 1064409036 /nfs/dbraw/zinc/40/90/36/1064409036.db2.gz BCBJFFFLOVVLEH-RXFWQSSRSA-N 0 0 470.997 4.897 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)/C=C/c1ccccc1C(F)(F)F ZINC001434995686 1064409935 /nfs/dbraw/zinc/40/99/35/1064409935.db2.gz GFOAGKPVBFVYKE-VQHVLOKHSA-N 0 0 455.274 4.935 20 0 JJADRN CC(C)CC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001359772980 1064409982 /nfs/dbraw/zinc/40/99/82/1064409982.db2.gz ZQMYGSSYNPDFQA-FQEVSTJZSA-N 0 0 453.631 4.504 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)ccc1NC(=O)CC(C)C ZINC001434995182 1064410018 /nfs/dbraw/zinc/41/00/18/1064410018.db2.gz AWNDUDPDGXVEBO-UHFFFAOYSA-N 0 0 453.608 4.729 20 0 JJADRN CC(C)CC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001359773300 1064410872 /nfs/dbraw/zinc/41/08/72/1064410872.db2.gz LFRGSSKIJUJYDO-MSOLQXFVSA-N 0 0 478.728 4.827 20 0 JJADRN CCC(CC)NC(=O)[C@H]1CN(C(=O)c2ccc(Oc3cc(C)ccn3)cc2)c2ccccc2O1 ZINC001434995996 1064411011 /nfs/dbraw/zinc/41/10/11/1064411011.db2.gz DSGCSIAJHKCZQF-XMMPIXPASA-N 0 0 459.546 4.895 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)[C@]3(COC)CCCCN3C(=O)OC(C)(C)C)sc2C1 ZINC001434996385 1064411565 /nfs/dbraw/zinc/41/15/65/1064411565.db2.gz JTAUSLVTVMUFFE-WAIKUNEKSA-N 0 0 451.633 4.793 20 0 JJADRN COc1ccc(-c2cncc(C(=O)Nc3ccc(N4CCN(C)CC4)c(Cl)c3)c2)c(C)c1 ZINC001434996638 1064411589 /nfs/dbraw/zinc/41/15/89/1064411589.db2.gz OTSJZYGHWAVYMT-UHFFFAOYSA-N 0 0 450.970 4.723 20 0 JJADRN CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC001359773382 1064411718 /nfs/dbraw/zinc/41/17/18/1064411718.db2.gz NOOMFPURMXTNJH-GOTSBHOMSA-N 0 0 467.658 4.847 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccccc3Cl)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001359773436 1064411759 /nfs/dbraw/zinc/41/17/59/1064411759.db2.gz PIVSNABGCACFJH-SFHVURJKSA-N 0 0 465.063 4.828 20 0 JJADRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cc(C)c(Br)cc2C)c2ccccc2O1 ZINC001434996706 1064411754 /nfs/dbraw/zinc/41/17/54/1064411754.db2.gz GZPWLSARVBTIAP-NRFANRHFSA-N 0 0 459.384 4.779 20 0 JJADRN COCc1nn(C)cc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001434998023 1064412955 /nfs/dbraw/zinc/41/29/55/1064412955.db2.gz UORCLKPEYLHOFD-UHFFFAOYSA-N 0 0 452.898 4.706 20 0 JJADRN CC(C)CC1(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001359773786 1064412956 /nfs/dbraw/zinc/41/29/56/1064412956.db2.gz ZPUJXRLORLCYFQ-IBGZPJMESA-N 0 0 454.619 4.612 20 0 JJADRN CC(C)CC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001359773568 1064412964 /nfs/dbraw/zinc/41/29/64/1064412964.db2.gz SIPWFCLIQUDKTF-OAQYLSRUSA-N 0 0 485.698 4.814 20 0 JJADRN O=C(Nc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1)c1ccncc1 ZINC001434996940 1064413044 /nfs/dbraw/zinc/41/30/44/1064413044.db2.gz LVOFEEIAKVAZKL-VQTJNVASSA-N 0 0 455.436 4.652 20 0 JJADRN CCc1noc(-c2ccc(CCNC(=O)c3nccc4c(Br)cccc43)cc2)n1 ZINC001434999566 1064413465 /nfs/dbraw/zinc/41/34/65/1064413465.db2.gz AKVQPVYESXKAOB-UHFFFAOYSA-N 0 0 451.324 4.582 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCn2cccn2)CC1 ZINC001359774059 1064413485 /nfs/dbraw/zinc/41/34/85/1064413485.db2.gz HHERWLDHCSRNOG-OAQYLSRUSA-N 0 0 485.677 4.552 20 0 JJADRN CCCc1ccc([C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)C)cc1 ZINC001434999947 1064414647 /nfs/dbraw/zinc/41/46/47/1064414647.db2.gz SBAPVRASIGZSQY-AREMUKBSSA-N 0 0 456.652 4.870 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001359774684 1064415386 /nfs/dbraw/zinc/41/53/86/1064415386.db2.gz ZNWNYMXVDMEWED-NRFANRHFSA-N 0 0 468.646 4.536 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccccc2F)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359774879 1064416518 /nfs/dbraw/zinc/41/65/18/1064416518.db2.gz DIZYSKQDSRPFKB-HNNXBMFYSA-N 0 0 465.499 4.734 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)nc2ccccc21 ZINC001435001808 1064416519 /nfs/dbraw/zinc/41/65/19/1064416519.db2.gz UBWPONCZPBGNBS-UHFFFAOYSA-N 0 0 457.983 4.719 20 0 JJADRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC001435001573 1064416527 /nfs/dbraw/zinc/41/65/27/1064416527.db2.gz QPIPEKCNGLUZCX-AVRDEDQJSA-N 0 0 454.299 4.920 20 0 JJADRN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc2c(cc1Br)OCO2 ZINC001435001804 1064416535 /nfs/dbraw/zinc/41/65/35/1064416535.db2.gz TZFKTHFVACLDIC-UHFFFAOYSA-N 0 0 455.761 4.637 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC001435001830 1064416549 /nfs/dbraw/zinc/41/65/49/1064416549.db2.gz UGLFKSJKLYJFOI-UHFFFAOYSA-N 0 0 456.793 4.620 20 0 JJADRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001435001577 1064416556 /nfs/dbraw/zinc/41/65/56/1064416556.db2.gz QPIPEKCNGLUZCX-PGRDOPGGSA-N 0 0 454.299 4.920 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359775181 1064416961 /nfs/dbraw/zinc/41/69/61/1064416961.db2.gz KGUUBYNPLJGPGX-VIZSFHNOSA-N 0 0 476.687 4.673 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359775180 1064417117 /nfs/dbraw/zinc/41/71/17/1064417117.db2.gz KGUUBYNPLJGPGX-TXTKFYIRSA-N 0 0 476.687 4.673 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001359775127 1064417201 /nfs/dbraw/zinc/41/72/01/1064417201.db2.gz IZKFXJXZPWQZKF-UXHICEINSA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2cccs2)n1CCCn1cc(Br)cn1 ZINC001359775633 1064418014 /nfs/dbraw/zinc/41/80/14/1064418014.db2.gz TYDPLAKGZMVWHG-HNNXBMFYSA-N 0 0 451.438 4.785 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001359775539 1064418025 /nfs/dbraw/zinc/41/80/25/1064418025.db2.gz RNFNUCFQSYUYLE-LGKPFJOYSA-N 0 0 483.657 4.698 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1Br ZINC001435003210 1064418068 /nfs/dbraw/zinc/41/80/68/1064418068.db2.gz AXXJJIRNUDTDHQ-CVEARBPZSA-N 0 0 456.167 4.923 20 0 JJADRN CC(C)CC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001359775507 1064418129 /nfs/dbraw/zinc/41/81/29/1064418129.db2.gz RCIGEJAGOIEQKZ-IFMALSPDSA-N 0 0 459.679 4.505 20 0 JJADRN CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC[C@H]1CCCCO1 ZINC001359776084 1064418704 /nfs/dbraw/zinc/41/87/04/1064418704.db2.gz BTPSSFDQJIRJPB-IUPYZPJSSA-N 0 0 475.678 4.803 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H]1CCc2nccn2C1 ZINC001359776944 1064419804 /nfs/dbraw/zinc/41/98/04/1064419804.db2.gz WYMBVCQJMPBABS-XLIONFOSSA-N 0 0 489.437 4.845 20 0 JJADRN Cc1cc2scc(CC(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)c2s1 ZINC001435004445 1064419830 /nfs/dbraw/zinc/41/98/30/1064419830.db2.gz OZMZSXCZLKRGQY-UHFFFAOYSA-N 0 0 450.589 4.847 20 0 JJADRN CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CCOC(C)(C)C ZINC001359776975 1064419839 /nfs/dbraw/zinc/41/98/39/1064419839.db2.gz YAMWOHSELGYCQG-YOFSQIOKSA-N 0 0 463.667 4.658 20 0 JJADRN CCc1ccc(-c2nc(C(=O)NCC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1 ZINC001435005236 1064420275 /nfs/dbraw/zinc/42/02/75/1064420275.db2.gz VSPMSJVDJZIKHK-UHFFFAOYSA-N 0 0 458.381 4.812 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001359777163 1064420539 /nfs/dbraw/zinc/42/05/39/1064420539.db2.gz CGGWNTXENSZQLQ-GJZUVCINSA-N 0 0 475.678 4.518 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@@H](Oc2ccc(Cl)cc2)C(C)C)ccc1Br ZINC001435005755 1064421165 /nfs/dbraw/zinc/42/11/65/1064421165.db2.gz ZPDGSPWXEGPBMC-IBGZPJMESA-N 0 0 453.764 4.569 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC001435006796 1064421949 /nfs/dbraw/zinc/42/19/49/1064421949.db2.gz MAYYGRNRQOCGTD-IBGZPJMESA-N 0 0 454.640 4.717 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)c1ccc(SC)cc1 ZINC001435007028 1064422719 /nfs/dbraw/zinc/42/27/19/1064422719.db2.gz AZMKFANHNLTURO-SFHVURJKSA-N 0 0 459.365 4.753 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001435006960 1064422852 /nfs/dbraw/zinc/42/28/52/1064422852.db2.gz PHMFMOBNVUEIII-UHFFFAOYSA-N 0 0 457.505 4.706 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359777986 1064422975 /nfs/dbraw/zinc/42/29/75/1064422975.db2.gz WDROEINQRJCSDP-OAQYLSRUSA-N 0 0 483.458 4.788 20 0 JJADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359778278 1064423829 /nfs/dbraw/zinc/42/38/29/1064423829.db2.gz DNURKYVKPMDSQI-JJTGBXKASA-N 0 0 483.701 4.974 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@@](C)(O)C1CCCCC1 ZINC001359779367 1064425392 /nfs/dbraw/zinc/42/53/92/1064425392.db2.gz KPBMXSBQMNERTK-RUZDIDTESA-N 0 0 494.583 4.774 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359779618 1064425992 /nfs/dbraw/zinc/42/59/92/1064425992.db2.gz RXWSRNPUVJEMAT-UHFFFAOYSA-N 0 0 472.519 4.515 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@H](C)c2ccccc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001359779645 1064426047 /nfs/dbraw/zinc/42/60/47/1064426047.db2.gz SSWUSMOUDWAOED-TWDDROGUSA-N 0 0 497.684 4.741 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001435010714 1064426034 /nfs/dbraw/zinc/42/60/34/1064426034.db2.gz LBNHOHULCOMHLC-LLVKDONJSA-N 0 0 457.968 4.768 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359779516 1064426066 /nfs/dbraw/zinc/42/60/66/1064426066.db2.gz PBCCZXMLMMEZIC-UZUQRXQVSA-N 0 0 494.583 4.894 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359779758 1064427125 /nfs/dbraw/zinc/42/71/25/1064427125.db2.gz XMJDXFOJCVUHAW-UHFFFAOYSA-N 0 0 486.480 4.804 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)ccc1Br ZINC001435011030 1064427083 /nfs/dbraw/zinc/42/70/83/1064427083.db2.gz AFCXUBIILKKVKM-UHFFFAOYSA-N 0 0 453.327 4.702 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCNC(=O)OC(C)(C)C ZINC001359779987 1064427915 /nfs/dbraw/zinc/42/79/15/1064427915.db2.gz FZJZXZRZGYQBLG-UHFFFAOYSA-N 0 0 473.515 4.796 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001359779944 1064427961 /nfs/dbraw/zinc/42/79/61/1064427961.db2.gz DUJYZDAIQGKRMC-PZJWPPBQSA-N 0 0 451.409 4.674 20 0 JJADRN O=C([C@H]1CCOc2ccc(Br)cc21)N(CCc1ccccc1)Cc1ccncc1 ZINC001435012366 1064428103 /nfs/dbraw/zinc/42/81/03/1064428103.db2.gz ALAOSMFMXBRTJY-NRFANRHFSA-N 0 0 451.364 4.982 20 0 JJADRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCOc1cc(Cl)ccc1Cl ZINC001435012343 1064428131 /nfs/dbraw/zinc/42/81/31/1064428131.db2.gz KZNOVYAWJSBRJM-SFHVURJKSA-N 0 0 451.394 4.512 20 0 JJADRN Cc1cccc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)CCCC2)c1 ZINC001435011933 1064428168 /nfs/dbraw/zinc/42/81/68/1064428168.db2.gz FDZGQYTYVHLHSN-UHFFFAOYSA-N 0 0 454.636 4.598 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359780255 1064428518 /nfs/dbraw/zinc/42/85/18/1064428518.db2.gz PAAVPYRIMFCVNW-UUWRZZSWSA-N 0 0 499.647 4.515 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@H]1CCn2ccnc2C1 ZINC001359780153 1064428569 /nfs/dbraw/zinc/42/85/69/1064428569.db2.gz LYYLABRKGQDQKL-QGZVFWFLSA-N 0 0 464.511 4.730 20 0 JJADRN CCO[C@H](CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)C(C)C ZINC001435012970 1064429606 /nfs/dbraw/zinc/42/96/06/1064429606.db2.gz DNNZINNFQLPTSH-QGZVFWFLSA-N 0 0 451.327 4.568 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359781665 1064433280 /nfs/dbraw/zinc/43/32/80/1064433280.db2.gz PWKXPCFVNQVJNV-FCHUYYIVSA-N 0 0 450.631 4.563 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001359781945 1064433406 /nfs/dbraw/zinc/43/34/06/1064433406.db2.gz ACCCQYGQLDHFFR-FQEVSTJZSA-N 0 0 471.524 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1CCCCc1nc(C)cs1 ZINC001545888179 1064434252 /nfs/dbraw/zinc/43/42/52/1064434252.db2.gz BIIDXOVXALWINZ-UHFFFAOYSA-N 0 0 472.684 4.609 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC(F)(F)c1ccccc1 ZINC001359782178 1064434335 /nfs/dbraw/zinc/43/43/35/1064434335.db2.gz KFEVRZKDSJOBID-UHFFFAOYSA-N 0 0 458.538 4.615 20 0 JJADRN COC1CCN(c2ccc(NC(=O)c3ncccc3Br)cc2C(F)(F)F)CC1 ZINC001435017970 1064435118 /nfs/dbraw/zinc/43/51/18/1064435118.db2.gz LNDSEPDPGPTXAN-UHFFFAOYSA-N 0 0 458.278 4.730 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CCc1ccc(Cl)cc1 ZINC001359782509 1064435288 /nfs/dbraw/zinc/43/52/88/1064435288.db2.gz WICJMDBYUGFARL-UHFFFAOYSA-N 0 0 457.003 4.719 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NC(C)(C)Cc3ccc(Br)cc3)CC2=O)cc1 ZINC001435018987 1064435906 /nfs/dbraw/zinc/43/59/06/1064435906.db2.gz YHHFEKCXGTYMQN-LJQANCHMSA-N 0 0 457.412 4.892 20 0 JJADRN CC(C)Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1CC(C)(C)C(F)(F)F ZINC001359784060 1064436104 /nfs/dbraw/zinc/43/61/04/1064436104.db2.gz QOGBRDFFMSOKFH-UHFFFAOYSA-N 0 0 481.563 4.770 20 0 JJADRN 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ZINC001435020831 1064438857 /nfs/dbraw/zinc/43/88/57/1064438857.db2.gz YKYXGEQUZUWBSA-XXBNENTESA-N 0 0 451.910 4.694 20 0 JJADRN CCCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 ZINC001435022067 1064439620 /nfs/dbraw/zinc/43/96/20/1064439620.db2.gz FWEJDXBWLKXXLB-YKSBVNFPSA-N 0 0 459.949 4.684 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1CCN(C)C(=O)OC(C)(C)C ZINC001359786586 1064440801 /nfs/dbraw/zinc/44/08/01/1064440801.db2.gz BQNZUNJYWLJYCW-QFIPXVFZSA-N 0 0 471.646 4.529 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(C(N)=O)o3)cc2)CC1 ZINC001435023920 1064441280 /nfs/dbraw/zinc/44/12/80/1064441280.db2.gz MOIJRFWFZQLOEN-JQIJEIRASA-N 0 0 451.567 4.643 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001435024377 1064441306 /nfs/dbraw/zinc/44/13/06/1064441306.db2.gz ANZDCQRUJQYMLU-UHFFFAOYSA-N 0 0 451.271 4.958 20 0 JJADRN Cc1c(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cccc1OCC(F)(F)F ZINC001435024103 1064441408 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466.001 4.667 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001359788289 1064443952 /nfs/dbraw/zinc/44/39/52/1064443952.db2.gz AJRUYXGVBNZESC-UHOSZYNNSA-N 0 0 451.537 4.876 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCO[C@H](C)c1ccccc1 ZINC001359788557 1064444003 /nfs/dbraw/zinc/44/40/03/1064444003.db2.gz FUFMANOSMSUYJY-XJUOHMSHSA-N 0 0 485.673 4.994 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1SCCc2ccccc21 ZINC001359788909 1064445015 /nfs/dbraw/zinc/44/50/15/1064445015.db2.gz JVIKDTLLRRMBLJ-VLCRHTCISA-N 0 0 485.698 4.857 20 0 JJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)nn3-c3ccc(C(F)(F)F)cn3)cc2F)n1 ZINC001435028226 1064445508 /nfs/dbraw/zinc/44/55/08/1064445508.db2.gz QLXMGAOJZSGPAY-UHFFFAOYSA-N 0 0 458.419 4.788 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1F ZINC001359789303 1064445557 /nfs/dbraw/zinc/44/55/57/1064445557.db2.gz MXXWBVIHCXBKCK-HNAYVOBHSA-N 0 0 466.001 4.667 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H](CC(C)C)c3ccc(Cl)cc3)cn2)cc1 ZINC001435029766 1064447248 /nfs/dbraw/zinc/44/72/48/1064447248.db2.gz AUMAKLCGTFJVCB-QFIPXVFZSA-N 0 0 454.958 4.952 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001435030281 1064447295 /nfs/dbraw/zinc/44/72/95/1064447295.db2.gz DHOSBCFIVSSARW-AREMUKBSSA-N 0 0 457.574 4.609 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC001435030249 1064447463 /nfs/dbraw/zinc/44/74/63/1064447463.db2.gz WDMUQDHQDHIVCY-CQSZACIVSA-N 0 0 452.374 4.978 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359791755 1064448270 /nfs/dbraw/zinc/44/82/70/1064448270.db2.gz FKABPTBGGXBSNH-BJLQDIEVSA-N 0 0 477.675 4.665 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359791060 1064448373 /nfs/dbraw/zinc/44/83/73/1064448373.db2.gz YGTVUFCXUKTSKF-ZDUSSCGKSA-N 0 0 456.153 4.668 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359792232 1064449331 /nfs/dbraw/zinc/44/93/31/1064449331.db2.gz ITLXOSSPFIOFFG-CODAWKSHSA-N 0 0 458.603 4.551 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359791763 1064449390 /nfs/dbraw/zinc/44/93/90/1064449390.db2.gz FKABPTBGGXBSNH-WSTZPKSXSA-N 0 0 477.675 4.665 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359793475 1064451066 /nfs/dbraw/zinc/45/10/66/1064451066.db2.gz PFYGZCZGJOJTFW-RZUBCFFCSA-N 0 0 471.646 4.698 20 0 JJADRN CCN(C(=O)c1ccc(OCC(F)(F)F)cn1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034234 1064451024 /nfs/dbraw/zinc/45/10/24/1064451024.db2.gz HBWYEEXBQMJHOO-FQEVSTJZSA-N 0 0 451.395 4.948 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](Cc2ccccc2)C(=O)OC)cc1 ZINC001435035046 1064451933 /nfs/dbraw/zinc/45/19/33/1064451933.db2.gz ZRDZJSJIHJRECJ-RUZDIDTESA-N 0 0 453.542 4.616 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359793523 1064452037 /nfs/dbraw/zinc/45/20/37/1064452037.db2.gz PLVIYMAMBVDFEC-HRFSGMKKSA-N 0 0 499.656 4.646 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359793824 1064452041 /nfs/dbraw/zinc/45/20/41/1064452041.db2.gz RLUYMQVPHYPIDQ-XLIONFOSSA-N 0 0 485.620 4.779 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccc(Br)cc3C2)n1Cc1cccnc1OCC(F)F ZINC001359793981 1064452573 /nfs/dbraw/zinc/45/25/73/1064452573.db2.gz YNJNBLCSGQGIOK-UHFFFAOYSA-N 0 0 492.368 4.847 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359794262 1064452639 /nfs/dbraw/zinc/45/26/39/1064452639.db2.gz VDOXOEKKUBRKKZ-RHSMWYFYSA-N 0 0 480.453 4.622 20 0 JJADRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cnc(Br)c(Cl)c1 ZINC001435037472 1064452681 /nfs/dbraw/zinc/45/26/81/1064452681.db2.gz GHSSPGGEQAYSQB-UHFFFAOYSA-N 0 0 456.683 4.550 20 0 JJADRN CN(C(=O)c1cnc(Br)c(Br)c1)[C@H](c1ccccc1)C(F)(F)F ZINC001359795142 1064453669 /nfs/dbraw/zinc/45/36/69/1064453669.db2.gz HZXBIZUGCNCTHE-GFCCVEGCSA-N 0 0 452.068 4.982 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)c2n1 ZINC001435038078 1064453780 /nfs/dbraw/zinc/45/37/80/1064453780.db2.gz QZFGYHHWWBVPJX-UHFFFAOYSA-N 0 0 452.899 4.884 20 0 JJADRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c(F)ccc(Br)c1F ZINC001435039040 1064455578 /nfs/dbraw/zinc/45/55/78/1064455578.db2.gz IPEHGSLLLYGFQH-UHFFFAOYSA-N 0 0 457.230 4.780 20 0 JJADRN O=C(CCn1cc(Br)cn1)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC001435039643 1064456226 /nfs/dbraw/zinc/45/62/26/1064456226.db2.gz JLLSIWAXIUCXJN-UHFFFAOYSA-N 0 0 452.356 4.657 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)c1ccccc1 ZINC001435039895 1064456263 /nfs/dbraw/zinc/45/62/63/1064456263.db2.gz HBRFYAKXOQLGBW-MUUNZHRXSA-N 0 0 459.542 4.605 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCc1ccc(F)cc1Cl ZINC001359796336 1064456208 /nfs/dbraw/zinc/45/62/08/1064456208.db2.gz YRPXRDWWWAPBGD-UHFFFAOYSA-N 0 0 460.903 4.860 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359796618 1064456277 /nfs/dbraw/zinc/45/62/77/1064456277.db2.gz GCFXMBYRLSLUGW-LJQANCHMSA-N 0 0 451.606 4.531 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCOc1ccc(F)cc1 ZINC001359796555 1064456290 /nfs/dbraw/zinc/45/62/90/1064456290.db2.gz DCDUNAQAWWLYAG-OAQYLSRUSA-N 0 0 485.648 4.560 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359796662 1064456346 /nfs/dbraw/zinc/45/63/46/1064456346.db2.gz HHCTXMVEUFASDG-FGZHOGPDSA-N 0 0 473.706 4.545 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2OCC(F)(F)F)cc1 ZINC001435041552 1064458173 /nfs/dbraw/zinc/45/81/73/1064458173.db2.gz JHMQRLGKMLQIGQ-UHFFFAOYSA-N 0 0 459.486 4.658 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(OCC(F)F)nc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797434 1064459899 /nfs/dbraw/zinc/45/98/99/1064459899.db2.gz DIUZPXZIORSYOI-BETUJISGSA-N 0 0 459.415 4.610 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC001359797675 1064459911 /nfs/dbraw/zinc/45/99/11/1064459911.db2.gz LFZBXEOUZOSQCP-KURKYZTESA-N 0 0 450.501 4.905 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)C3=Cc4cc(F)ccc4OC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797665 1064459933 /nfs/dbraw/zinc/45/99/33/1064459933.db2.gz LAMAPUAPNKDHMI-KBPBESRZSA-N 0 0 450.432 4.873 20 0 JJADRN O=C(Cc1ccc(Br)cc1Cl)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435043222 1064460059 /nfs/dbraw/zinc/46/00/59/1064460059.db2.gz BGAPVYXOGRCYJY-UHFFFAOYSA-N 0 0 455.139 4.707 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001359798170 1064461358 /nfs/dbraw/zinc/46/13/58/1064461358.db2.gz FXNUIOZHUCMJJN-UHFFFAOYSA-N 0 0 450.553 4.689 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001359798066 1064461455 /nfs/dbraw/zinc/46/14/55/1064461455.db2.gz CLIQVTABCVOHRV-ZBFHGGJFSA-N 0 0 456.475 4.859 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359798783 1064463074 /nfs/dbraw/zinc/46/30/74/1064463074.db2.gz PNLDAXIVHBIFGT-CMOCDZPBSA-N 0 0 477.694 4.811 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1cccc(F)c1 ZINC001359798697 1064463122 /nfs/dbraw/zinc/46/31/22/1064463122.db2.gz NFXTYGYRDGFBJB-SFHVURJKSA-N 0 0 459.610 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359798804 1064463241 /nfs/dbraw/zinc/46/32/41/1064463241.db2.gz QDFOPMZLXLMGJP-UHFFFAOYSA-N 0 0 466.552 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359798887 1064464054 /nfs/dbraw/zinc/46/40/54/1064464054.db2.gz SHMYTNGLFFTWCG-QGZVFWFLSA-N 0 0 461.573 4.805 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COc1cc(Cl)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048067 1064464360 /nfs/dbraw/zinc/46/43/60/1064464360.db2.gz AZYNFIVTLWVSMK-XDHUDOTRSA-N 0 0 458.002 4.797 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001359799096 1064465160 /nfs/dbraw/zinc/46/51/60/1064465160.db2.gz ANJIWSFTLDBPSB-ZHRRBRCNSA-N 0 0 459.512 4.617 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC001359799487 1064465875 /nfs/dbraw/zinc/46/58/75/1064465875.db2.gz JHYFGKXHNOGVQG-FQEVSTJZSA-N 0 0 453.029 4.776 20 0 JJADRN Cc1nc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)nn1-c1c(Cl)cccc1Cl ZINC001359799362 1064465892 /nfs/dbraw/zinc/46/58/92/1064465892.db2.gz FMFAJKNGEINRIM-UHFFFAOYSA-N 0 0 450.351 4.909 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1OC(C)C ZINC001359799282 1064465948 /nfs/dbraw/zinc/46/59/48/1064465948.db2.gz ZEEPOCKIZZNERL-QHCPKHFHSA-N 0 0 468.564 4.842 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cccc(F)c1 ZINC001359799189 1064465964 /nfs/dbraw/zinc/46/59/64/1064465964.db2.gz YPIDYVJMMZTKBH-QUCCMNQESA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC001435048666 1064466342 /nfs/dbraw/zinc/46/63/42/1064466342.db2.gz GQYFRBBIBXLVQP-MNOVXSKESA-N 0 0 455.483 4.640 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1SCCc2sccc21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049165 1064467277 /nfs/dbraw/zinc/46/72/77/1064467277.db2.gz KVODBKALSQRYRV-SSKFGXFMSA-N 0 0 457.665 4.848 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1OC ZINC001435050416 1064468090 /nfs/dbraw/zinc/46/80/90/1064468090.db2.gz ZGXDDIVECGCFDJ-UHFFFAOYSA-N 0 0 454.567 4.709 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359801450 1064468629 /nfs/dbraw/zinc/46/86/29/1064468629.db2.gz VUTRIKXCROHWRB-HSZRJFAPSA-N 0 0 489.542 4.610 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001435051560 1064469939 /nfs/dbraw/zinc/46/99/39/1064469939.db2.gz HAHVFCVSSFFSBW-SQFISAMPSA-N 0 0 454.328 4.721 20 0 JJADRN C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc(Br)s1 ZINC001435051582 1064470010 /nfs/dbraw/zinc/47/00/10/1064470010.db2.gz HBGOOODLMOLEOS-CQSZACIVSA-N 0 0 458.385 4.889 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359802499 1064470536 /nfs/dbraw/zinc/47/05/36/1064470536.db2.gz PTSKBBHPBMTRGB-UHFFFAOYSA-N 0 0 468.671 4.550 20 0 JJADRN O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001435052511 1064471079 /nfs/dbraw/zinc/47/10/79/1064471079.db2.gz KDFOFTRNPODEJW-OXQOHEQNSA-N 0 0 453.888 4.687 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC001435052412 1064471215 /nfs/dbraw/zinc/47/12/15/1064471215.db2.gz HMDBIUDSQCIRIN-UHFFFAOYSA-N 0 0 456.514 4.592 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1CCC(=O)Nc1ccccc1 ZINC001545888442 1064471915 /nfs/dbraw/zinc/47/19/15/1064471915.db2.gz MFFHXORFUSEVKS-OAQYLSRUSA-N 0 0 494.665 4.801 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 ZINC001359803398 1064472790 /nfs/dbraw/zinc/47/27/90/1064472790.db2.gz HRYAHLHDVIQBMH-UHFFFAOYSA-N 0 0 451.886 4.884 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC001359804038 1064472836 /nfs/dbraw/zinc/47/28/36/1064472836.db2.gz VORYXJYWDAQTHU-UHFFFAOYSA-N 0 0 458.312 4.552 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccncc1 ZINC001435054157 1064472958 /nfs/dbraw/zinc/47/29/58/1064472958.db2.gz HBIZGPDBFCFLRE-UHFFFAOYSA-N 0 0 453.955 4.780 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001359804467 1064473397 /nfs/dbraw/zinc/47/33/97/1064473397.db2.gz BCTFFRIHAHCIPQ-UHFFFAOYSA-N 0 0 469.649 4.822 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001435055400 1064473750 /nfs/dbraw/zinc/47/37/50/1064473750.db2.gz BQTDYEHOCINOPU-HNNXBMFYSA-N 0 0 452.432 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545888487 1064475639 /nfs/dbraw/zinc/47/56/39/1064475639.db2.gz ODZLWHKSBHKVGH-BWKNWUBXSA-N 0 0 474.049 4.760 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCc1ccc2c(c1)OCCO2 ZINC001359806065 1064476244 /nfs/dbraw/zinc/47/62/44/1064476244.db2.gz SSGAURLLLBVNBV-UHFFFAOYSA-N 0 0 452.521 4.659 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccco3)C2)n1CCCCn1cc(Br)cn1 ZINC001359806586 1064476298 /nfs/dbraw/zinc/47/62/98/1064476298.db2.gz UGCDPHGMCAGWDV-QGZVFWFLSA-N 0 0 461.408 4.503 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001359807056 1064477308 /nfs/dbraw/zinc/47/73/08/1064477308.db2.gz RUNUQWGMVJBTMD-GHTZIAJQSA-N 0 0 456.583 4.607 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001359806886 1064477389 /nfs/dbraw/zinc/47/73/89/1064477389.db2.gz WUVPOCKXCOWYGI-UGKGYDQZSA-N 0 0 452.977 4.909 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001435058363 1064477393 /nfs/dbraw/zinc/47/73/93/1064477393.db2.gz YMLTWHROCPSDFN-HUUCEWRRSA-N 0 0 459.782 4.929 20 0 JJADRN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435059232 1064478126 /nfs/dbraw/zinc/47/81/26/1064478126.db2.gz SEDXBLGXCUHZGL-OAHLLOKOSA-N 0 0 458.527 4.696 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC001435060125 1064478868 /nfs/dbraw/zinc/47/88/68/1064478868.db2.gz KJFQPHIQRBGGHX-MRXNPFEDSA-N 0 0 451.411 4.633 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001359807860 1064478913 /nfs/dbraw/zinc/47/89/13/1064478913.db2.gz DLAPHNWOQHUFGA-VWLOTQADSA-N 0 0 491.702 4.529 20 0 JJADRN Cc1oc(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1CN1C(=O)c2ccccc2C1=O ZINC001359808270 1064479767 /nfs/dbraw/zinc/47/97/67/1064479767.db2.gz VJUDKRLAKGQAEB-UHFFFAOYSA-N 0 0 450.922 4.789 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC1(C)Cc2ccccc2C1 ZINC001359808603 1064480664 /nfs/dbraw/zinc/48/06/64/1064480664.db2.gz PUWDVUNNLWVLJG-NRFANRHFSA-N 0 0 481.685 4.975 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Cn3cncn3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359808440 1064480805 /nfs/dbraw/zinc/48/08/05/1064480805.db2.gz OUDLVQIXDVEEOG-OAQYLSRUSA-N 0 0 479.526 4.606 20 0 JJADRN C[C@@H](CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)c(Br)c1 ZINC001435063389 1064481576 /nfs/dbraw/zinc/48/15/76/1064481576.db2.gz BERSWCBDLROBQD-YEJXKQKISA-N 0 0 457.384 4.891 20 0 JJADRN C[C@H](CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)c(Br)c1 ZINC001435063383 1064481727 /nfs/dbraw/zinc/48/17/27/1064481727.db2.gz BERSWCBDLROBQD-ASSNKEHSSA-N 0 0 457.384 4.891 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435063298 1064481751 /nfs/dbraw/zinc/48/17/51/1064481751.db2.gz AVUOLPCOAGHRFZ-NPMXOYFQSA-N 0 0 451.995 4.727 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(OC(F)F)c1 ZINC001435064691 1064484168 /nfs/dbraw/zinc/48/41/68/1064484168.db2.gz LBURMFQPMCTINU-UHFFFAOYSA-N 0 0 450.438 4.603 20 0 JJADRN CN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccc(Cl)cn1 ZINC001359809872 1064484183 /nfs/dbraw/zinc/48/41/83/1064484183.db2.gz CIOQNATWDBMPGV-UHFFFAOYSA-N 0 0 453.930 4.877 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)[C@]1(C)CC1(Br)Br ZINC001359809997 1064484338 /nfs/dbraw/zinc/48/43/38/1064484338.db2.gz HKDMTEPTNGSZPU-LBPRGKRZSA-N 0 0 455.972 4.682 20 0 JJADRN COc1ccc([C@H](NC(=O)C(=O)c2ccccc2OC)c2ccccc2)cc1Br ZINC001359810269 1064485096 /nfs/dbraw/zinc/48/50/96/1064485096.db2.gz KDXSBTJITMYVRD-OAQYLSRUSA-N 0 0 454.320 4.555 20 0 JJADRN COCC1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001435065892 1064485322 /nfs/dbraw/zinc/48/53/22/1064485322.db2.gz QNOIYYXBAQTGIV-UHFFFAOYSA-N 0 0 451.995 4.542 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435066136 1064485997 /nfs/dbraw/zinc/48/59/97/1064485997.db2.gz GGYCBNQMLXVWGD-DVECYGJZSA-N 0 0 451.929 4.865 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001435066098 1064486054 /nfs/dbraw/zinc/48/60/54/1064486054.db2.gz HXUBGHNXXDHNHF-OYHNWAKOSA-N 0 0 457.537 4.975 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)c2ccccc2)cc1Br ZINC001359810974 1064486010 /nfs/dbraw/zinc/48/60/10/1064486010.db2.gz ZJYPMILCALBDFT-SIKLNZKXSA-N 0 0 453.336 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359811725 1064487793 /nfs/dbraw/zinc/48/77/93/1064487793.db2.gz XECVOJFHGCNAAB-GOSISDBHSA-N 0 0 494.084 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1Cc1ccc(OC)cc1OC ZINC001545888531 1064488466 /nfs/dbraw/zinc/48/84/66/1064488466.db2.gz PHDAPHLOVYXRDG-OAQYLSRUSA-N 0 0 497.665 4.837 20 0 JJADRN C[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2C1 ZINC001435068632 1064489360 /nfs/dbraw/zinc/48/93/60/1064489360.db2.gz IZRCWWLHGUOSPP-MRXNPFEDSA-N 0 0 456.612 4.577 20 0 JJADRN CCN(C(=O)CCc1nc(C(C)C)no1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435068520 1064489368 /nfs/dbraw/zinc/48/93/68/1064489368.db2.gz QNBLRQKLQAUPKE-OAQYLSRUSA-N 0 0 457.372 4.921 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359814325 1064491083 /nfs/dbraw/zinc/49/10/83/1064491083.db2.gz BOUFJYQMAFVIQB-IBGZPJMESA-N 0 0 463.573 4.740 20 0 JJADRN CSCc1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001435069426 1064491282 /nfs/dbraw/zinc/49/12/82/1064491282.db2.gz YBDNIDFTAQRRQJ-KRWDZBQOSA-N 0 0 452.363 4.700 20 0 JJADRN CS(=O)(=O)C1CCC(C(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 ZINC001435070668 1064492080 /nfs/dbraw/zinc/49/20/80/1064492080.db2.gz AQBLUAJKVCRHRZ-PESDSKBTSA-N 0 0 457.308 4.589 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359814594 1064492638 /nfs/dbraw/zinc/49/26/38/1064492638.db2.gz KRQCBFYBQBYLGE-RXVVDRJESA-N 0 0 491.080 4.536 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCc1ccccc1Cl ZINC001359814544 1064492903 /nfs/dbraw/zinc/49/29/03/1064492903.db2.gz JQQMVXOAPPEELZ-UHFFFAOYSA-N 0 0 472.058 4.833 20 0 JJADRN COc1ccc(CN(C(=O)c2cncc(Br)c2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001435070951 1064493076 /nfs/dbraw/zinc/49/30/76/1064493076.db2.gz CYFZWPXJXLTYJW-UHFFFAOYSA-N 0 0 451.324 4.884 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435071721 1064493858 /nfs/dbraw/zinc/49/38/58/1064493858.db2.gz JLQBEXLOWVTVLR-AWEZNQCLSA-N 0 0 458.234 4.997 20 0 JJADRN O=C(O[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(Cn2ccnn2)cc1 ZINC001435071817 1064493946 /nfs/dbraw/zinc/49/39/46/1064493946.db2.gz JXTDZPVGRSJHSB-KRWDZBQOSA-N 0 0 454.246 4.939 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001359815061 1064494676 /nfs/dbraw/zinc/49/46/76/1064494676.db2.gz UQEMXAYGSUZMCS-UHFFFAOYSA-N 0 0 494.105 4.568 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1Cc1c(F)cccc1Cl ZINC001359815193 1064495516 /nfs/dbraw/zinc/49/55/16/1064495516.db2.gz XDXYXOPTOBMIJK-UHFFFAOYSA-N 0 0 491.055 4.918 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)[C@@]1(F)CCS(=O)(=O)C1 ZINC001435073179 1064495569 /nfs/dbraw/zinc/49/55/69/1064495569.db2.gz KFAMIFUEUKCKEO-QGZVFWFLSA-N 0 0 452.718 4.904 20 0 JJADRN COC(=O)c1ccc(CCC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 ZINC001435073363 1064495603 /nfs/dbraw/zinc/49/56/03/1064495603.db2.gz DSZIFGBVVLSRME-UHFFFAOYSA-N 0 0 453.542 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2coc3c2C(=O)CCC3)C1 ZINC001435074136 1064496397 /nfs/dbraw/zinc/49/63/97/1064496397.db2.gz KVFDCUAPYIYSNH-LJQANCHMSA-N 0 0 452.551 4.841 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1CCCC1CCOCC1 ZINC001359815736 1064497060 /nfs/dbraw/zinc/49/70/60/1064497060.db2.gz TVVWSKGLEGKWGZ-UHFFFAOYSA-N 0 0 461.050 4.825 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3ccccc3Cl)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359815835 1064498051 /nfs/dbraw/zinc/49/80/51/1064498051.db2.gz WZTUHBAZHZUUDI-GOSISDBHSA-N 0 0 492.064 4.531 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cc(C(=O)OC(C)C)ccc3Cl)no2)c1 ZINC001359816658 1064498785 /nfs/dbraw/zinc/49/87/85/1064498785.db2.gz OMELHYSZYFMVET-UHFFFAOYSA-N 0 0 456.882 4.927 20 0 JJADRN Cc1nc(NC(=O)c2cc(I)cc(Br)c2C)sc1C ZINC001359816481 1064498797 /nfs/dbraw/zinc/49/87/97/1064498797.db2.gz IRLSRNWXNRCKII-UHFFFAOYSA-N 0 0 451.127 4.688 20 0 JJADRN O=C(CCCNC(=O)c1cccnc1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001359816901 1064498849 /nfs/dbraw/zinc/49/88/49/1064498849.db2.gz VMZIDHFJKSZOBE-UHFFFAOYSA-N 0 0 457.452 4.828 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1Br ZINC001359816408 1064498878 /nfs/dbraw/zinc/49/88/78/1064498878.db2.gz KLADVHHHRWJXGI-UHFFFAOYSA-N 0 0 459.363 4.820 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CCOCC1 ZINC001435077501 1064499806 /nfs/dbraw/zinc/49/98/06/1064499806.db2.gz ANRSKIAQSSILAV-UHFFFAOYSA-N 0 0 452.429 4.581 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC(C)(C)C(F)(F)F ZINC001359817335 1064499816 /nfs/dbraw/zinc/49/98/16/1064499816.db2.gz BPJTXWKHFWVGFG-UHFFFAOYSA-N 0 0 460.932 4.556 20 0 JJADRN CCN(C(=O)c1cn(-c2ccccc2Cl)nn1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001435078150 1064500428 /nfs/dbraw/zinc/50/04/28/1064500428.db2.gz GDKCTTLROPHUEX-QFIPXVFZSA-N 0 0 453.880 4.846 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 ZINC001435078093 1064500499 /nfs/dbraw/zinc/50/04/99/1064500499.db2.gz WWFKARTTWBKDOY-QGZVFWFLSA-N 0 0 454.577 4.625 20 0 JJADRN O=C(Nc1cccc(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1)c1cccc(C(F)(F)F)c1 ZINC001435078473 1064500861 /nfs/dbraw/zinc/50/08/61/1064500861.db2.gz GZKCWGRQENTHDF-CQSZACIVSA-N 0 0 459.390 4.780 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC001435079555 1064501411 /nfs/dbraw/zinc/50/14/11/1064501411.db2.gz DIHWYEAJHVPICA-IBGZPJMESA-N 0 0 454.361 4.653 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1oc2ccccc2c1Br ZINC001435078952 1064501482 /nfs/dbraw/zinc/50/14/82/1064501482.db2.gz WGTDTCCVIXUNNG-UHFFFAOYSA-N 0 0 450.304 4.892 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC001435079029 1064501585 /nfs/dbraw/zinc/50/15/85/1064501585.db2.gz ZRYIJVMDGWBOEW-UHFFFAOYSA-N 0 0 455.530 4.731 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)CC2)n1 ZINC001435079472 1064501685 /nfs/dbraw/zinc/50/16/85/1064501685.db2.gz WJYCBHFJMVQOHG-UHFFFAOYSA-N 0 0 450.608 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359818166 1064501941 /nfs/dbraw/zinc/50/19/41/1064501941.db2.gz UYJBRDZCSXZBMN-SIKLNZKXSA-N 0 0 459.610 4.654 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC001359818414 1064502484 /nfs/dbraw/zinc/50/24/84/1064502484.db2.gz DCKHUHGBDDETBH-QHCPKHFHSA-N 0 0 452.595 4.912 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC001435080365 1064502641 /nfs/dbraw/zinc/50/26/41/1064502641.db2.gz MUBIQOJMKCXPEN-JTQLQIEISA-N 0 0 450.333 4.541 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1=O ZINC001435080248 1064502757 /nfs/dbraw/zinc/50/27/57/1064502757.db2.gz FJSDWKQOXZIORT-MOPGFXCFSA-N 0 0 453.558 4.568 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC001435080852 1064502787 /nfs/dbraw/zinc/50/27/87/1064502787.db2.gz PKZPDOLYDMMKIW-DEOSSOPVSA-N 0 0 454.590 4.641 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359819118 1064502808 /nfs/dbraw/zinc/50/28/08/1064502808.db2.gz KLUWSZLJAXLGET-AJTFRIOCSA-N 0 0 483.657 4.662 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(CC2)C(F)(F)C32CCC2)n1CCOCC(F)(F)C(F)F ZINC001359818908 1064502827 /nfs/dbraw/zinc/50/28/27/1064502827.db2.gz HHTLWXOKRDCBEL-UHFFFAOYSA-N 0 0 468.486 4.799 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1Cc1cccnc1OCC(F)F ZINC001359819034 1064502883 /nfs/dbraw/zinc/50/28/83/1064502883.db2.gz IZGAQYFAFNTMHJ-QRWLVFNGSA-N 0 0 474.383 4.584 20 0 JJADRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001435081538 1064503071 /nfs/dbraw/zinc/50/30/71/1064503071.db2.gz XGKPNUVSQDSTPU-UHFFFAOYSA-N 0 0 450.493 4.925 20 0 JJADRN CCN(C(=O)CCc1c(C)nc2ncnn2c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001435081703 1064503127 /nfs/dbraw/zinc/50/31/27/1064503127.db2.gz RNCUVHXJZOKWEQ-SANMLTNESA-N 0 0 456.594 4.830 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001435081766 1064503583 /nfs/dbraw/zinc/50/35/83/1064503583.db2.gz UFVFMJKWOGIYOE-UHFFFAOYSA-N 0 0 452.530 4.954 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545888628 1064504229 /nfs/dbraw/zinc/50/42/29/1064504229.db2.gz SCMDYSAIKYZTTR-SJORKVTESA-N 0 0 488.474 4.958 20 0 JJADRN CCCN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435082462 1064504273 /nfs/dbraw/zinc/50/42/73/1064504273.db2.gz HBFIUVJPBVQTPC-IEBWSBKVSA-N 0 0 451.405 4.727 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC001359822008 1064504521 /nfs/dbraw/zinc/50/45/21/1064504521.db2.gz AOMWLBCHPLZZTA-CTNGQTDRSA-N 0 0 450.645 4.595 20 0 JJADRN CC(=O)Nc1ccc(C)cc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001359822826 1064505181 /nfs/dbraw/zinc/50/51/81/1064505181.db2.gz NJFOKABCGHNLQB-UHFFFAOYSA-N 0 0 453.340 4.643 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359823068 1064505196 /nfs/dbraw/zinc/50/51/96/1064505196.db2.gz MLMFZQVHLPNJAO-UHFFFAOYSA-N 0 0 492.624 4.730 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)[C@]3(CC(C)C)CCNC3=O)cc2)CC1 ZINC001359823607 1064505917 /nfs/dbraw/zinc/50/59/17/1064505917.db2.gz VYFYZISGBVQOCK-RIQBOWGZSA-N 0 0 455.643 4.790 20 0 JJADRN CCN(C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001435084783 1064506014 /nfs/dbraw/zinc/50/60/14/1064506014.db2.gz SZOIPGHQYCSOQA-BVAGGSTKSA-N 0 0 459.565 4.779 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc3c(cncc3Cl)s2)c1 ZINC001435086233 1064506633 /nfs/dbraw/zinc/50/66/33/1064506633.db2.gz WGPYBKSQVDWIRK-UHFFFAOYSA-N 0 0 450.951 4.694 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001359824411 1064506593 /nfs/dbraw/zinc/50/65/93/1064506593.db2.gz MJYMXOMTSLKHEU-BEFAXECRSA-N 0 0 454.489 4.953 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c1C ZINC001359824616 1064507087 /nfs/dbraw/zinc/50/70/87/1064507087.db2.gz QMWASQUCONEDJP-HXUWFJFHSA-N 0 0 457.571 4.581 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)c2cc(Br)cnc2Br)cc1 ZINC001435088682 1064507514 /nfs/dbraw/zinc/50/75/14/1064507514.db2.gz QSGBZYYMBCCLGS-UHFFFAOYSA-N 0 0 456.178 4.614 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1C[C@](C)(O)c1cccs1 ZINC001359825309 1064507766 /nfs/dbraw/zinc/50/77/66/1064507766.db2.gz CBVDBLINQNWLMU-CLOONOSVSA-N 0 0 470.614 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001359825901 1064508059 /nfs/dbraw/zinc/50/80/59/1064508059.db2.gz IJDVDUBQDZWRBZ-ZCNNSNEGSA-N 0 0 469.596 4.588 20 0 JJADRN CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](C)COCc1ccccc1 ZINC001359826601 1064509021 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OIGGIWMPFDZQSB-AWEZNQCLSA-N 0 0 458.527 4.744 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc(Br)cc(C)c3o2)c1 ZINC001359829932 1064511407 /nfs/dbraw/zinc/51/14/07/1064511407.db2.gz XNHRIRZGINRFMI-KRWDZBQOSA-N 0 0 459.365 4.966 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC001359830067 1064512161 /nfs/dbraw/zinc/51/21/61/1064512161.db2.gz YORUFMUKLBAMDZ-HNNXBMFYSA-N 0 0 457.752 4.704 20 0 JJADRN C[C@H](NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC001435098698 1064512587 /nfs/dbraw/zinc/51/25/87/1064512587.db2.gz BHIRUXYZIRBBSA-JSGCOSHPSA-N 0 0 454.785 4.840 20 0 JJADRN CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001435098001 1064512639 /nfs/dbraw/zinc/51/26/39/1064512639.db2.gz LOENVVJCCMSESC-BBRMVZONSA-N 0 0 459.058 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3nc4ccccc4s3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001359830228 1064512703 /nfs/dbraw/zinc/51/27/03/1064512703.db2.gz FBDBAPBWEMIFEC-SFHVURJKSA-N 0 0 489.711 4.684 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359830494 1064513256 /nfs/dbraw/zinc/51/32/56/1064513256.db2.gz KSGOECMWEVYEKZ-AZUAARDMSA-N 0 0 481.563 4.504 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCc1ccc(N(C)C)cc1 ZINC001359830925 1064513700 /nfs/dbraw/zinc/51/37/00/1064513700.db2.gz TUHCCCHEYHOUBM-HSZRJFAPSA-N 0 0 498.716 4.869 20 0 JJADRN O=C(N[C@H](c1nccs1)c1ccccc1)c1cnc(Br)c(Br)c1 ZINC001435099684 1064513975 /nfs/dbraw/zinc/51/39/75/1064513975.db2.gz OQSMDKGOBJYXOF-ZDUSSCGKSA-N 0 0 453.159 4.583 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359830959 1064514326 /nfs/dbraw/zinc/51/43/26/1064514326.db2.gz UJLGCLFYZUZRKX-DNVJHFABSA-N 0 0 489.705 4.767 20 0 JJADRN COc1ccc(C(=O)C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1Cl ZINC001435100833 1064514443 /nfs/dbraw/zinc/51/44/43/1064514443.db2.gz RHOLNBHZEWOOBD-HNNXBMFYSA-N 0 0 454.773 4.989 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3cncn3)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359832210 1064515453 /nfs/dbraw/zinc/51/54/53/1064515453.db2.gz GYXXTMHHLVRNKN-QUCCMNQESA-N 0 0 465.499 4.531 20 0 JJADRN Cc1c(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cccc1OCC(F)(F)F ZINC001359832503 1064515991 /nfs/dbraw/zinc/51/59/91/1064515991.db2.gz ZJMJHKAWWHYSMA-CYBMUJFWSA-N 0 0 452.420 4.767 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)CCOc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107209 1064516679 /nfs/dbraw/zinc/51/66/79/1064516679.db2.gz BKHAUTXGEKOHCJ-CUNXSJBXSA-N 0 0 450.623 4.776 20 0 JJADRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC001435107821 1064517242 /nfs/dbraw/zinc/51/72/42/1064517242.db2.gz HEKVYZVWQVQQDT-FQEVSTJZSA-N 0 0 459.631 4.568 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359833271 1064517764 /nfs/dbraw/zinc/51/77/64/1064517764.db2.gz VUSMEWNOEBITIX-FQRUVTKNSA-N 0 0 477.694 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001359833023 1064517799 /nfs/dbraw/zinc/51/77/99/1064517799.db2.gz SCZBPNYAPQSZLV-MOPGFXCFSA-N 0 0 453.622 4.681 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)Cc1ccc2cnccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108956 1064518300 /nfs/dbraw/zinc/51/83/00/1064518300.db2.gz JHVFTTNXWPGFEA-RBTNQOKQSA-N 0 0 457.618 4.790 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)c1ccccc1 ZINC001435109634 1064518740 /nfs/dbraw/zinc/51/87/40/1064518740.db2.gz PIRATMYSHVSPLJ-OAQYLSRUSA-N 0 0 456.336 4.994 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C(C)C)cc1 ZINC001435110627 1064519806 /nfs/dbraw/zinc/51/98/06/1064519806.db2.gz GRMPTNVZNGZWFR-JOCHJYFZSA-N 0 0 459.575 4.697 20 0 JJADRN COCc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)sc2cccc(F)c21 ZINC001359834125 1064520269 /nfs/dbraw/zinc/52/02/69/1064520269.db2.gz VNZSUCGZMWJOQC-GOSISDBHSA-N 0 0 458.580 4.957 20 0 JJADRN CCS[C@H]1CCCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001435113427 1064521312 /nfs/dbraw/zinc/52/13/12/1064521312.db2.gz CTWUPOLNNSIWBG-SESVDKBCSA-N 0 0 450.645 4.619 20 0 JJADRN O=C(NCCc1ccc(Br)cc1F)c1cc2sc(N3CCCC3)nc2s1 ZINC001435113157 1064521431 /nfs/dbraw/zinc/52/14/31/1064521431.db2.gz ZVZBPNDXDKSMIL-UHFFFAOYSA-N 0 0 454.390 4.832 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H](C)CSC(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435113084 1064521560 /nfs/dbraw/zinc/52/15/60/1064521560.db2.gz YOMIOLTZOAXPPO-ZWOKBUDYSA-N 0 0 458.590 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359834964 1064521965 /nfs/dbraw/zinc/52/19/65/1064521965.db2.gz OURSEVZFEAVCRV-ROUUACIJSA-N 0 0 491.599 4.527 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCc4cc(F)cc(C)c43)cc2)cc1 ZINC001435114332 1064522069 /nfs/dbraw/zinc/52/20/69/1064522069.db2.gz OWIPPTXUFDMVGR-UHFFFAOYSA-N 0 0 452.551 4.861 20 0 JJADRN 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Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)ccc1-n1cnnn1 ZINC001435116053 1064523446 /nfs/dbraw/zinc/52/34/46/1064523446.db2.gz LGWHHBFHHFXASB-UHFFFAOYSA-N 0 0 458.375 4.568 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359836837 1064523539 /nfs/dbraw/zinc/52/35/39/1064523539.db2.gz QVPTZDOBLNKPMC-FQEVSTJZSA-N 0 0 451.537 4.529 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001359837103 1064523597 /nfs/dbraw/zinc/52/35/97/1064523597.db2.gz YKKUKJMMNBHMRW-PKOBYXMFSA-N 0 0 471.593 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359836546 1064523814 /nfs/dbraw/zinc/52/38/14/1064523814.db2.gz KPWFMHGGNRVDCX-NRFANRHFSA-N 0 0 499.656 4.846 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001359837666 1064524122 /nfs/dbraw/zinc/52/41/22/1064524122.db2.gz KFTBYOUAQKTBMK-IVZQSRNASA-N 0 0 453.421 4.827 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC001435117088 1064524601 /nfs/dbraw/zinc/52/46/01/1064524601.db2.gz AOBGQJOGGYUKLQ-KRWDZBQOSA-N 0 0 457.423 4.775 20 0 JJADRN O=C(NC[C@@H]1OCCc2ccccc21)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001435117202 1064524829 /nfs/dbraw/zinc/52/48/29/1064524829.db2.gz BZJZTIQMKVQNEP-GOTSBHOMSA-N 0 0 452.348 4.999 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2ccnc(-c3ccccc3)n2)cc1)c1ccc(Cl)cc1 ZINC001435118619 1064525316 /nfs/dbraw/zinc/52/53/16/1064525316.db2.gz KHHISGPETKZTKI-UHFFFAOYSA-N 0 0 457.917 4.989 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C ZINC001435118752 1064525396 /nfs/dbraw/zinc/52/53/96/1064525396.db2.gz AMRRJWXAUBLYNR-MHZLTWQESA-N 0 0 453.579 4.861 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)Oc2cccc(NC(=O)c3cnn(C)c3)c2)cc1 ZINC001359838845 1064525716 /nfs/dbraw/zinc/52/57/16/1064525716.db2.gz CEAJARRSRRGKAS-UHFFFAOYSA-N 0 0 454.530 4.918 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OC ZINC001435118808 1064525799 /nfs/dbraw/zinc/52/57/99/1064525799.db2.gz BMCPGMITSDCWRD-NSHDSACASA-N 0 0 451.907 4.516 20 0 JJADRN COc1cc(F)c([C@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1OC ZINC001435120155 1064526223 /nfs/dbraw/zinc/52/62/23/1064526223.db2.gz LJBFAGHCLPTDIA-NSHDSACASA-N 0 0 455.383 4.678 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001435120180 1064526264 /nfs/dbraw/zinc/52/62/64/1064526264.db2.gz WHOILEXPGHVCHR-KVSYXXJQSA-N 0 0 450.337 4.774 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)s2)c1 ZINC001435120518 1064526989 /nfs/dbraw/zinc/52/69/89/1064526989.db2.gz UMTRKZKSECVLFS-HSZRJFAPSA-N 0 0 454.527 4.511 20 0 JJADRN CCc1c(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001435122294 1064528058 /nfs/dbraw/zinc/52/80/58/1064528058.db2.gz ZHLIPSAMVLUSMV-QHCPKHFHSA-N 0 0 450.608 4.856 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2ccc(OC(F)F)cn2)cc1Cl)c1ccncc1 ZINC001435122675 1064528671 /nfs/dbraw/zinc/52/86/71/1064528671.db2.gz MLBVJMICSGCPHO-UHFFFAOYSA-N 0 0 453.232 4.889 20 0 JJADRN CP(C)(=O)c1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC001435122321 1064528689 /nfs/dbraw/zinc/52/86/89/1064528689.db2.gz ZVHJBHODNDUATO-UHFFFAOYSA-N 0 0 455.878 4.780 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC001435122982 1064529014 /nfs/dbraw/zinc/52/90/14/1064529014.db2.gz FAJCBXXEKCDRBC-RPBOFIJWSA-N 0 0 451.542 4.849 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc2cccnc21 ZINC001359842896 1064529810 /nfs/dbraw/zinc/52/98/10/1064529810.db2.gz HEYNLZRMZJKFAL-OAQYLSRUSA-N 0 0 464.614 4.567 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC001435123796 1064529649 /nfs/dbraw/zinc/52/96/49/1064529649.db2.gz NHOKIORIPMYCPV-PMACEKPBSA-N 0 0 452.473 4.932 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cnn3c2nc(C)cc3C(F)F)cc1 ZINC001435123406 1064529747 /nfs/dbraw/zinc/52/97/47/1064529747.db2.gz JMHXCEAEIYYZKX-TZIWHRDSSA-N 0 0 458.509 4.884 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC001435123797 1064529763 /nfs/dbraw/zinc/52/97/63/1064529763.db2.gz NHOKIORIPMYCPV-UXHICEINSA-N 0 0 452.473 4.932 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CCc1cccs1 ZINC001359844027 1064530016 /nfs/dbraw/zinc/53/00/16/1064530016.db2.gz HGFWQGBOPHFOPJ-UHFFFAOYSA-N 0 0 476.021 4.536 20 0 JJADRN COC(=O)N(C)Cc1ccc(NC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc1 ZINC001435124192 1064530030 /nfs/dbraw/zinc/53/00/30/1064530030.db2.gz GFGWGXYSNZNADR-UHFFFAOYSA-N 0 0 455.514 4.860 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)NCCCc2ccc(C(C)C)cc2)c1 ZINC001435124204 1064530086 /nfs/dbraw/zinc/53/00/86/1064530086.db2.gz CSFURRMWCONJQV-UHFFFAOYSA-N 0 0 452.414 4.729 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1OC ZINC001435124236 1064530374 /nfs/dbraw/zinc/53/03/74/1064530374.db2.gz XLFWNGZVTKZOOW-AWEZNQCLSA-N 0 0 450.564 4.822 20 0 JJADRN COC(=O)c1[nH]c(C)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC001359844645 1064530927 /nfs/dbraw/zinc/53/09/27/1064530927.db2.gz FQMZWGZDCIVMMW-UHFFFAOYSA-N 0 0 452.561 4.821 20 0 JJADRN Cc1ccc(CO[C@@H](C)C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cc1 ZINC001435125485 1064531279 /nfs/dbraw/zinc/53/12/79/1064531279.db2.gz IYOMZWAWLWHRMP-KRWDZBQOSA-N 0 0 459.514 4.791 20 0 JJADRN Cc1csc(C(C)(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 ZINC001435125827 1064531367 /nfs/dbraw/zinc/53/13/67/1064531367.db2.gz DGMPNULYQZQDLY-YPAWHYETSA-N 0 0 455.668 4.993 20 0 JJADRN C/C(=C/C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC001359845409 1064531320 /nfs/dbraw/zinc/53/13/20/1064531320.db2.gz NONGZKWCWDGFKR-OWBHPGMISA-N 0 0 454.851 4.886 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)C1CCN(CC(F)F)CC1 ZINC001435125789 1064531684 /nfs/dbraw/zinc/53/16/84/1064531684.db2.gz TTYLWLDRGPCIAE-UHFFFAOYSA-N 0 0 453.327 4.835 20 0 JJADRN CCN(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125935 1064531762 /nfs/dbraw/zinc/53/17/62/1064531762.db2.gz UQIMDBSJFIENMP-JKSUJKDBSA-N 0 0 457.514 4.734 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359846167 1064531724 /nfs/dbraw/zinc/53/17/24/1064531724.db2.gz OGPHNTPOQKUHAY-UPVQGACJSA-N 0 0 473.706 4.547 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N(CCc1ccc(Cl)cc1)CC1CC1)C[C@H]1CCCO1 ZINC001435126588 1064532343 /nfs/dbraw/zinc/53/23/43/1064532343.db2.gz RANUGRJBCQAXKS-OAQYLSRUSA-N 0 0 451.007 4.537 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCSCc1ccccc1F ZINC001359846953 1064533078 /nfs/dbraw/zinc/53/30/78/1064533078.db2.gz LQCTZVDLOOOTGT-UHFFFAOYSA-N 0 0 477.650 4.606 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)c(NC(=O)C(C)(C)C)c3)CCC(=O)N2C)cc1 ZINC001435126882 1064532924 /nfs/dbraw/zinc/53/29/24/1064532924.db2.gz SDBDYHXTWASHJP-NFBKMPQASA-N 0 0 451.567 4.536 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCCCc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001435127769 1064533316 /nfs/dbraw/zinc/53/33/16/1064533316.db2.gz UYHQQGXBTNORFO-IBGZPJMESA-N 0 0 455.755 4.558 20 0 JJADRN CC(C)Cc1nc(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)cs1 ZINC001435127321 1064533473 /nfs/dbraw/zinc/53/34/73/1064533473.db2.gz WIKLXOWQEPLGCT-UHFFFAOYSA-N 0 0 450.532 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC001435127589 1064533632 /nfs/dbraw/zinc/53/36/32/1064533632.db2.gz IOUZZICASCTYOE-ZDUSSCGKSA-N 0 0 458.443 4.757 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545888821 1064533877 /nfs/dbraw/zinc/53/38/77/1064533877.db2.gz YQVLFNOEFOOXBK-REWPJTCUSA-N 0 0 453.631 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001545888820 1064533945 /nfs/dbraw/zinc/53/39/45/1064533945.db2.gz YQVLFNOEFOOXBK-OFNKIYASSA-N 0 0 453.631 4.650 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001545888819 1064534046 /nfs/dbraw/zinc/53/40/46/1064534046.db2.gz YQVLFNOEFOOXBK-NZQKXSOJSA-N 0 0 453.631 4.650 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC001435129100 1064534538 /nfs/dbraw/zinc/53/45/38/1064534538.db2.gz YZFXNDYAEGJAMD-AWEZNQCLSA-N 0 0 454.411 4.986 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(C)c1Br ZINC001435129203 1064534649 /nfs/dbraw/zinc/53/46/49/1064534649.db2.gz GWPDQZSWYMGFSJ-HNNXBMFYSA-N 0 0 453.327 4.984 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N(Cc1ccccc1)CC1CCOCC1 ZINC001435128775 1064534661 /nfs/dbraw/zinc/53/46/61/1064534661.db2.gz BNGYPBXWOCVQGN-UHFFFAOYSA-N 0 0 452.776 4.937 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC1(O)CCCCCC1 ZINC001359849039 1064535205 /nfs/dbraw/zinc/53/52/05/1064535205.db2.gz GOJCAWSTSOEEAM-HXUWFJFHSA-N 0 0 475.628 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC1CCCC1 ZINC001359849356 1064535292 /nfs/dbraw/zinc/53/52/92/1064535292.db2.gz ITXCGVYPGQSKCK-UHFFFAOYSA-N 0 0 453.631 4.906 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC001435130583 1064535347 /nfs/dbraw/zinc/53/53/47/1064535347.db2.gz WBEXIYCMYIEHMS-MRXNPFEDSA-N 0 0 450.348 4.811 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCc1ccc(Br)cc1 ZINC001435130328 1064535417 /nfs/dbraw/zinc/53/54/17/1064535417.db2.gz HXHVEMVZCJBCIQ-RTBURBONSA-N 0 0 453.421 4.972 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1Cc1cc(Br)cs1 ZINC001359849465 1064535567 /nfs/dbraw/zinc/53/55/67/1064535567.db2.gz JUTYTUKMELXEMA-UHFFFAOYSA-N 0 0 496.425 4.954 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CC1CCC(F)(F)CC1 ZINC001359850503 1064536502 /nfs/dbraw/zinc/53/65/02/1064536502.db2.gz VVVOOZNJVZASTJ-UHFFFAOYSA-N 0 0 453.528 4.907 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001435131573 1064536622 /nfs/dbraw/zinc/53/66/22/1064536622.db2.gz SHFRNAVJXDSZLK-UHFFFAOYSA-N 0 0 450.560 4.675 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCc3cccc(F)c3F)cc2Br)no1 ZINC001435132114 1064536697 /nfs/dbraw/zinc/53/66/97/1064536697.db2.gz YTEXSEFXHKQKON-UHFFFAOYSA-N 0 0 451.267 4.575 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOc1cccc(Cl)c1 ZINC001359850288 1064536769 /nfs/dbraw/zinc/53/67/69/1064536769.db2.gz QIODBBRFRBFDNU-GOSISDBHSA-N 0 0 478.037 4.655 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)s1 ZINC001435133388 1064537163 /nfs/dbraw/zinc/53/71/63/1064537163.db2.gz HSOPELHTMGVINI-UHFFFAOYSA-N 0 0 456.589 4.812 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCCCS1 ZINC001359850819 1064537706 /nfs/dbraw/zinc/53/77/06/1064537706.db2.gz XQFZLMCEHSQPEM-ICSRJNTNSA-N 0 0 463.642 4.924 20 0 JJADRN CC(C)c1ccc(C2(C(=O)NCc3cccc(S(=O)(=O)N4CCCCC4)c3)CCC2)cc1 ZINC001359851542 1064538218 /nfs/dbraw/zinc/53/82/18/1064538218.db2.gz LERFGJJUFBSLAC-UHFFFAOYSA-N 0 0 454.636 4.723 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H]1c1cccc(Cl)c1 ZINC001435134759 1064538236 /nfs/dbraw/zinc/53/82/36/1064538236.db2.gz GNKPRIVSPUQSED-JTHBVZDNSA-N 0 0 459.011 4.910 20 0 JJADRN O=C(Nc1cccc(CSC2CCOCC2)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001435134838 1064538590 /nfs/dbraw/zinc/53/85/90/1064538590.db2.gz HAPXGEOPDRRUMX-QHCPKHFHSA-N 0 0 454.592 4.839 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC001435135586 1064538759 /nfs/dbraw/zinc/53/87/59/1064538759.db2.gz VCYBMFYBCCJFMT-SFHVURJKSA-N 0 0 458.427 4.908 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1 ZINC001435135119 1064538925 /nfs/dbraw/zinc/53/89/25/1064538925.db2.gz DXUOXDDGHXEAOZ-QFIPXVFZSA-N 0 0 450.966 4.736 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)C ZINC001435135998 1064539453 /nfs/dbraw/zinc/53/94/53/1064539453.db2.gz FSDATXHXLWEYPQ-QFIPXVFZSA-N 0 0 458.505 4.814 20 0 JJADRN O=C(Cc1cccc(Br)c1)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC001435136438 1064539523 /nfs/dbraw/zinc/53/95/23/1064539523.db2.gz ZLLWIMXJRPGZHP-UHFFFAOYSA-N 0 0 456.361 4.857 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001435138478 1064540484 /nfs/dbraw/zinc/54/04/84/1064540484.db2.gz STJBPFHJZBNXCN-LEWJYISDSA-N 0 0 456.533 4.682 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001359853370 1064540559 /nfs/dbraw/zinc/54/05/59/1064540559.db2.gz HPXGXMXJGMXBBC-UHFFFAOYSA-N 0 0 479.648 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359853255 1064540734 /nfs/dbraw/zinc/54/07/34/1064540734.db2.gz FNOFJHZXRJKWIJ-UHFFFAOYSA-N 0 0 480.632 4.701 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001435139813 1064540835 /nfs/dbraw/zinc/54/08/35/1064540835.db2.gz PYNKRDDCWGSJEX-VWNXMTODSA-N 0 0 457.592 4.526 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359853923 1064541480 /nfs/dbraw/zinc/54/14/80/1064541480.db2.gz PIMVRJSKMWUTRJ-XMMPIXPASA-N 0 0 495.499 4.836 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359854140 1064541505 /nfs/dbraw/zinc/54/15/05/1064541505.db2.gz PXAFXUMWWSEHGE-IRXDYDNUSA-N 0 0 454.516 4.631 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC001435142502 1064542374 /nfs/dbraw/zinc/54/23/74/1064542374.db2.gz RGWHHFWMKLCFOO-NDEPHWFRSA-N 0 0 457.349 4.691 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001435142848 1064543062 /nfs/dbraw/zinc/54/30/62/1064543062.db2.gz MKBVPUQURPCCBF-RDPSFJRHSA-N 0 0 454.636 4.615 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359855820 1064543267 /nfs/dbraw/zinc/54/32/67/1064543267.db2.gz SRAVDQOSTQUBSM-UHFFFAOYSA-N 0 0 498.741 4.843 20 0 JJADRN COc1ccc2cc(C(=O)N3CCN([C@H](C)c4ccc(Br)cc4)CC3)cnc2c1 ZINC001435143382 1064543749 /nfs/dbraw/zinc/54/37/49/1064543749.db2.gz MZCHGEFWQATVJL-MRXNPFEDSA-N 0 0 454.368 4.525 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC001435143314 1064543766 /nfs/dbraw/zinc/54/37/66/1064543766.db2.gz MLAWDBAJIOQUTM-KBMIEXCESA-N 0 0 458.549 4.549 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001435143482 1064544166 /nfs/dbraw/zinc/54/41/66/1064544166.db2.gz ALMIVIBFIIQQNW-UHFFFAOYSA-N 0 0 456.502 4.709 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cnn2cccc(OC)c12 ZINC001435144148 1064544725 /nfs/dbraw/zinc/54/47/25/1064544725.db2.gz XYRPMHIDSAPNKW-UHFFFAOYSA-N 0 0 451.866 4.828 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001435144251 1064544848 /nfs/dbraw/zinc/54/48/48/1064544848.db2.gz ZGNDBAHHMKLRTD-MRXNPFEDSA-N 0 0 456.926 4.506 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001359858126 1064545425 /nfs/dbraw/zinc/54/54/25/1064545425.db2.gz KKMALFHGKPXYEO-IRXDYDNUSA-N 0 0 473.971 4.670 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(C(F)(F)F)CCCCC3)c2)cc1 ZINC001435145007 1064545297 /nfs/dbraw/zinc/54/52/97/1064545297.db2.gz HPXLLNPXLRLIDW-UHFFFAOYSA-N 0 0 454.514 4.815 20 0 JJADRN CCN(C(=O)c1ccc(C(=O)OC(C)(C)C)cn1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858214 1064546017 /nfs/dbraw/zinc/54/60/17/1064546017.db2.gz JTNWWWPRLFMDNZ-QFIPXVFZSA-N 0 0 453.489 4.962 20 0 JJADRN CCOC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001435146068 1064546515 /nfs/dbraw/zinc/54/65/15/1064546515.db2.gz YBURUIHJAJTRID-JOCHJYFZSA-N 0 0 456.608 4.681 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001359859056 1064546483 /nfs/dbraw/zinc/54/64/83/1064546483.db2.gz UXSZLHJUQHYCAL-RUZDIDTESA-N 0 0 454.567 4.585 20 0 JJADRN CCN(C(=O)c1cc2c(cn1)OCCC2)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001359859130 1064546677 /nfs/dbraw/zinc/54/66/77/1064546677.db2.gz WHQHTCCAMXFSPJ-JOCHJYFZSA-N 0 0 452.352 4.816 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Br)c2OC)CC1 ZINC001435147397 1064547506 /nfs/dbraw/zinc/54/75/06/1064547506.db2.gz GMOZAIRWYZDLON-IBGZPJMESA-N 0 0 453.327 4.645 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Br)c2OC)CC1 ZINC001435147401 1064547624 /nfs/dbraw/zinc/54/76/24/1064547624.db2.gz GMOZAIRWYZDLON-LJQANCHMSA-N 0 0 453.327 4.645 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 ZINC001359859855 1064548471 /nfs/dbraw/zinc/54/84/71/1064548471.db2.gz HTRCOFJHHXGSIC-NRFANRHFSA-N 0 0 452.530 4.626 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001435148777 1064548487 /nfs/dbraw/zinc/54/84/87/1064548487.db2.gz KWJLOGWNGRKMSV-FQEVSTJZSA-N 0 0 450.476 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001359859787 1064548685 /nfs/dbraw/zinc/54/86/85/1064548685.db2.gz IMVYJNUCXMDXCD-SFTDATJTSA-N 0 0 460.066 4.767 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001359859785 1064548975 /nfs/dbraw/zinc/54/89/75/1064548975.db2.gz IMVYJNUCXMDXCD-RTWAWAEBSA-N 0 0 460.066 4.767 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCc2cc(Br)ccc21 ZINC001435149253 1064549188 /nfs/dbraw/zinc/54/91/88/1064549188.db2.gz NFJYQMBTVOFAFW-APWZRJJASA-N 0 0 453.302 4.893 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001435149249 1064549502 /nfs/dbraw/zinc/54/95/02/1064549502.db2.gz NDQBAOGLQGGTBS-MAUKXSAKSA-N 0 0 451.792 4.997 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)c2ccc(I)c(Cl)c2)cc1 ZINC001359860357 1064549583 /nfs/dbraw/zinc/54/95/83/1064549583.db2.gz MSTMOTJTXISESK-UHFFFAOYSA-N 0 0 451.695 4.750 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 ZINC001435149572 1064549955 /nfs/dbraw/zinc/54/99/55/1064549955.db2.gz UACMSSJLNUKSQC-UHFFFAOYSA-N 0 0 451.445 4.566 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC001435149778 1064549991 /nfs/dbraw/zinc/54/99/91/1064549991.db2.gz OTQZBUGDVNXLHT-LJQANCHMSA-N 0 0 451.617 4.935 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)sc21 ZINC001435150581 1064550604 /nfs/dbraw/zinc/55/06/04/1064550604.db2.gz SXHMSMVVEIFNSC-UHFFFAOYSA-N 0 0 456.524 4.694 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001359861353 1064551045 /nfs/dbraw/zinc/55/10/45/1064551045.db2.gz SMARTMQBRLEKRQ-LJQANCHMSA-N 0 0 474.074 4.981 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c1 ZINC001435153006 1064552083 /nfs/dbraw/zinc/55/20/83/1064552083.db2.gz OCMARIFDWUKXLO-UHFFFAOYSA-N 0 0 459.367 4.799 20 0 JJADRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C ZINC001435153432 1064552172 /nfs/dbraw/zinc/55/21/72/1064552172.db2.gz UKKQPSWUFKGEGO-UHFFFAOYSA-N 0 0 455.967 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1Cc1ccccc1 ZINC001359861508 1064552412 /nfs/dbraw/zinc/55/24/12/1064552412.db2.gz XXJLBZBYSRZFMR-UHFFFAOYSA-N 0 0 452.672 4.601 20 0 JJADRN COc1ccc(-n2cc(C(=O)N[C@H](c3ccccc3Cl)c3cc(F)ccc3F)nn2)cc1 ZINC001435154279 1064552561 /nfs/dbraw/zinc/55/25/61/1064552561.db2.gz OGCLMXLNKYVJIY-JOCHJYFZSA-N 0 0 454.864 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001359861588 1064552677 /nfs/dbraw/zinc/55/26/77/1064552677.db2.gz ZVXWLVDSSBVXHN-QHCPKHFHSA-N 0 0 460.066 4.802 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1OCC ZINC001359861650 1064552867 /nfs/dbraw/zinc/55/28/67/1064552867.db2.gz BKGHHQKTZZQHDF-UHFFFAOYSA-N 0 0 453.608 4.832 20 0 JJADRN CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCc1ccccc1OC(F)F ZINC001359862548 1064553257 /nfs/dbraw/zinc/55/32/57/1064553257.db2.gz KGGKRQLBRXXSDM-UHFFFAOYSA-N 0 0 484.473 4.556 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c1Cl ZINC001435156762 1064553540 /nfs/dbraw/zinc/55/35/40/1064553540.db2.gz FYOMHIZBSWCBPR-AWEZNQCLSA-N 0 0 450.428 4.702 20 0 JJADRN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(C)(C)CCCc3ccccc3)CC2)cc1 ZINC001359864860 1064553943 /nfs/dbraw/zinc/55/39/43/1064553943.db2.gz GERSQRLGKGGAKG-UHFFFAOYSA-N 0 0 456.652 4.614 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001359864470 1064554107 /nfs/dbraw/zinc/55/41/07/1064554107.db2.gz NFDYWEPJQHIBSV-HXUWFJFHSA-N 0 0 479.478 4.619 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC001435156798 1064554061 /nfs/dbraw/zinc/55/40/61/1064554061.db2.gz RCLLRZFOILOISF-QFIPXVFZSA-N 0 0 457.521 4.594 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC001435156797 1064554133 /nfs/dbraw/zinc/55/41/33/1064554133.db2.gz RCLLRZFOILOISF-JOCHJYFZSA-N 0 0 457.521 4.594 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C[S@@](=O)C(C)(C)C)c3)o2)cc1 ZINC001435159183 1064555201 /nfs/dbraw/zinc/55/52/01/1064555201.db2.gz BHYLGQIXNWUZEA-WJOKGBTCSA-N 0 0 459.593 4.523 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N[C@@H](Cc3ccc(C)cc3)c3ccccn3)n2)cc1 ZINC001435159186 1064555266 /nfs/dbraw/zinc/55/52/66/1064555266.db2.gz BJXUQSTVCXCSTJ-DEOSSOPVSA-N 0 0 456.546 4.872 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)o2)cc1 ZINC001435159182 1064555309 /nfs/dbraw/zinc/55/53/09/1064555309.db2.gz BHYLGQIXNWUZEA-HKBQPEDESA-N 0 0 459.593 4.523 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC001435160049 1064555776 /nfs/dbraw/zinc/55/57/76/1064555776.db2.gz GOURHDCKPORCPG-AUMHUTNHSA-N 0 0 458.571 4.565 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC001435160241 1064555810 /nfs/dbraw/zinc/55/58/10/1064555810.db2.gz GVORAEDRMJNKGL-UZUQRXQVSA-N 0 0 471.960 4.845 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001359865727 1064555984 /nfs/dbraw/zinc/55/59/84/1064555984.db2.gz HXQMNEUWXLXWIS-HZPDHXFCSA-N 0 0 484.066 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001359865938 1064556537 /nfs/dbraw/zinc/55/65/37/1064556537.db2.gz KWWKNTOBXRYPRB-CUWPLCDZSA-N 0 0 466.548 4.746 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001359865931 1064556615 /nfs/dbraw/zinc/55/66/15/1064556615.db2.gz KVGNFRUOWWGXEU-YKSBVNFPSA-N 0 0 491.474 4.758 20 0 JJADRN C[C@@H]1SCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H]1c1ccccc1 ZINC001435161603 1064557408 /nfs/dbraw/zinc/55/74/08/1064557408.db2.gz BWOLDOJMTDQOQV-WJPUGNRLSA-N 0 0 459.409 4.507 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435161856 1064557506 /nfs/dbraw/zinc/55/75/06/1064557506.db2.gz GYOHSAQPCHIDEQ-SCLBCKFNSA-N 0 0 451.354 4.960 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1CCCOC1CCOCC1 ZINC001359866379 1064557479 /nfs/dbraw/zinc/55/74/79/1064557479.db2.gz QENADUMHPPXJDJ-JOCHJYFZSA-N 0 0 497.467 4.947 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@@H]1CSCCS1 ZINC001359866592 1064558216 /nfs/dbraw/zinc/55/82/16/1064558216.db2.gz VESKNSGSBRISMK-RTBURBONSA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)/C=C/c2ccc(I)o2)c1 ZINC001435162259 1064558319 /nfs/dbraw/zinc/55/83/19/1064558319.db2.gz QPUWRCZQUTUSLL-PVOYRIJTSA-N 0 0 457.333 4.583 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC001435162852 1064559083 /nfs/dbraw/zinc/55/90/83/1064559083.db2.gz VJVKQZVAOJURGA-WJOKGBTCSA-N 0 0 456.589 4.767 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[C@@H](C)c1ccccc1 ZINC001359868127 1064559779 /nfs/dbraw/zinc/55/97/79/1064559779.db2.gz HYDNCLXCISOLBJ-TZIWHRDSSA-N 0 0 452.603 4.755 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359868163 1064560132 /nfs/dbraw/zinc/56/01/32/1064560132.db2.gz IIDBTMARZKPTEO-GOSISDBHSA-N 0 0 478.519 4.628 20 0 JJADRN C[C@@H]1SCCN(C(=O)c2cc(Br)ncc2Br)[C@@H]1c1ccccc1 ZINC001435164595 1064560503 /nfs/dbraw/zinc/56/05/03/1064560503.db2.gz SIPRYOBOBAPIPC-ZBEGNZNMSA-N 0 0 456.203 4.925 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC001435164703 1064560705 /nfs/dbraw/zinc/56/07/05/1064560705.db2.gz BVXQXPRPIVQMJN-SANMLTNESA-N 0 0 454.530 4.744 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccn(CC(F)(F)F)c1=O ZINC001435166655 1064562094 /nfs/dbraw/zinc/56/20/94/1064562094.db2.gz ZMTUBJVQLKVZGT-UHFFFAOYSA-N 0 0 457.330 4.869 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1 ZINC001435166821 1064562492 /nfs/dbraw/zinc/56/24/92/1064562492.db2.gz SMAYNVAPYZAVRJ-SDNWHVSQSA-N 0 0 457.395 4.859 20 0 JJADRN CCN(C(=O)c1cc(S(C)(=O)=O)cc(C)c1C)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359870100 1064562860 /nfs/dbraw/zinc/56/28/60/1064562860.db2.gz CSFHRMRXSYKPAB-HSZRJFAPSA-N 0 0 458.530 4.632 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC001435167727 1064563239 /nfs/dbraw/zinc/56/32/39/1064563239.db2.gz REDSEZPRJXITBJ-JBEBIEQOSA-N 0 0 455.361 4.626 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)cc1 ZINC001435167958 1064563523 /nfs/dbraw/zinc/56/35/23/1064563523.db2.gz IKAJWGNHMIBHCR-QHCPKHFHSA-N 0 0 458.649 4.570 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1 ZINC001435168025 1064563615 /nfs/dbraw/zinc/56/36/15/1064563615.db2.gz AAFYOBBMUNVTBU-LJAQVGFWSA-N 0 0 452.711 4.957 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc1 ZINC001435167957 1064563646 /nfs/dbraw/zinc/56/36/46/1064563646.db2.gz IKAJWGNHMIBHCR-HSZRJFAPSA-N 0 0 458.649 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C(C)C)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC001359872350 1064563783 /nfs/dbraw/zinc/56/37/83/1064563783.db2.gz BUCTZDQBBGVGKC-ZJOUEHCJSA-N 0 0 465.708 4.729 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cs1 ZINC001435168489 1064564169 /nfs/dbraw/zinc/56/41/69/1064564169.db2.gz DNGNRLBFNLILOA-HKBQPEDESA-N 0 0 455.605 4.617 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435168187 1064564214 /nfs/dbraw/zinc/56/42/14/1064564214.db2.gz ATIIPLOONKOVCZ-INIZCTEOSA-N 0 0 457.290 4.675 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1)c1ccc(F)cc1 ZINC001359873588 1064564516 /nfs/dbraw/zinc/56/45/16/1064564516.db2.gz XJWBQWDHYOLIDK-INIZCTEOSA-N 0 0 452.869 4.690 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001435170075 1064565212 /nfs/dbraw/zinc/56/52/12/1064565212.db2.gz LMBVGDGQKQYTFT-NSHDSACASA-N 0 0 452.330 4.838 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001435170074 1064565301 /nfs/dbraw/zinc/56/53/01/1064565301.db2.gz LMBVGDGQKQYTFT-LLVKDONJSA-N 0 0 452.330 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccs4)o3)nc2)CC1 ZINC001359875152 1064565346 /nfs/dbraw/zinc/56/53/46/1064565346.db2.gz HYHBNHIAFSXHEM-UHFFFAOYSA-N 0 0 454.552 4.713 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359875942 1064565890 /nfs/dbraw/zinc/56/58/90/1064565890.db2.gz QSAUIALFVJCSBH-FQEVSTJZSA-N 0 0 482.654 4.752 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCSC(F)(F)F ZINC001359875847 1064565906 /nfs/dbraw/zinc/56/59/06/1064565906.db2.gz OWLRTRQDEXIOMX-HOTGVXAUSA-N 0 0 477.597 4.565 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C2CC2)ccc1F ZINC001359876176 1064566527 /nfs/dbraw/zinc/56/65/27/1064566527.db2.gz ULZJZRAOXADVII-FQEVSTJZSA-N 0 0 457.594 4.645 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)/C(C)=C\c3ccc(C)cc3)c2)cc1 ZINC001435172395 1064566916 /nfs/dbraw/zinc/56/69/16/1064566916.db2.gz WTPFQVFYXZRMKF-CYVLTUHYSA-N 0 0 450.560 4.524 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)C1CN(C(=O)C2CCCCC2)C1 ZINC001435172535 1064566975 /nfs/dbraw/zinc/56/69/75/1064566975.db2.gz XDWDYPFODMFTGV-UHFFFAOYSA-N 0 0 454.415 4.611 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001359877308 1064567030 /nfs/dbraw/zinc/56/70/30/1064567030.db2.gz AFGBTQFWWQULHY-ABSDTBQOSA-N 0 0 464.452 4.969 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC001359877103 1064567063 /nfs/dbraw/zinc/56/70/63/1064567063.db2.gz FJVNICOHQGUZIR-UHFFFAOYSA-N 0 0 451.523 4.763 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001359876991 1064567197 /nfs/dbraw/zinc/56/71/97/1064567197.db2.gz KHHHTQOEPUAUMS-DFBJGRDBSA-N 0 0 475.584 4.740 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc(OCc2cccnc2)c1 ZINC001435172836 1064567482 /nfs/dbraw/zinc/56/74/82/1064567482.db2.gz PLLVNZXBQDUGSE-LJQANCHMSA-N 0 0 457.452 4.568 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cc(F)ccc1F ZINC001359877439 1064567646 /nfs/dbraw/zinc/56/76/46/1064567646.db2.gz HWMUBJNBWUFOJY-QHCPKHFHSA-N 0 0 459.876 4.770 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001359877310 1064567682 /nfs/dbraw/zinc/56/76/82/1064567682.db2.gz AFGBTQFWWQULHY-SQGPQFPESA-N 0 0 464.452 4.969 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCCC2)C1 ZINC001359877720 1064568215 /nfs/dbraw/zinc/56/82/15/1064568215.db2.gz DDJPIJXKNCNQKG-HNNXBMFYSA-N 0 0 453.450 4.947 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)ccc1Br ZINC001435174320 1064568298 /nfs/dbraw/zinc/56/82/98/1064568298.db2.gz MDUOXCQYFIHLTN-UHFFFAOYSA-N 0 0 452.414 4.818 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1F ZINC001359877787 1064568303 /nfs/dbraw/zinc/56/83/03/1064568303.db2.gz LIMTZBFITLALRT-MRXNPFEDSA-N 0 0 456.392 4.751 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 ZINC001359877933 1064568506 /nfs/dbraw/zinc/56/85/06/1064568506.db2.gz ZAXQBFKHRHOQSJ-FQEVSTJZSA-N 0 0 493.574 4.514 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001359878179 1064568730 /nfs/dbraw/zinc/56/87/30/1064568730.db2.gz HDXBXIFHDOPJOW-ACRUOGEOSA-N 0 0 476.065 4.665 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1ccccc1OC(F)(F)F ZINC001359877974 1064568869 /nfs/dbraw/zinc/56/88/69/1064568869.db2.gz ZJMAWRAMZXHCRZ-MRXNPFEDSA-N 0 0 456.419 4.944 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1Cc1ccccc1OC(F)(F)F ZINC001359877972 1064569100 /nfs/dbraw/zinc/56/91/00/1064569100.db2.gz ZJMAWRAMZXHCRZ-INIZCTEOSA-N 0 0 456.419 4.944 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCSC2)C1 ZINC001359878407 1064569498 /nfs/dbraw/zinc/56/94/98/1064569498.db2.gz ITCJLMCETFENCC-BSRJHKFKSA-N 0 0 465.063 4.812 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001359878735 1064570167 /nfs/dbraw/zinc/57/01/67/1064570167.db2.gz MNISABLYMLWHTB-OTNCWRBYSA-N 0 0 487.664 4.786 20 0 JJADRN CC1(C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCCO1 ZINC001435178495 1064571160 /nfs/dbraw/zinc/57/11/60/1064571160.db2.gz HBCQAOHGGMOXOQ-UHFFFAOYSA-N 0 0 454.368 4.943 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)cc2C1=O ZINC001435178684 1064571195 /nfs/dbraw/zinc/57/11/95/1064571195.db2.gz VESSLSPCIASFCS-UHFFFAOYSA-N 0 0 454.832 4.930 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)COCCO2)C1 ZINC001359879159 1064571211 /nfs/dbraw/zinc/57/12/11/1064571211.db2.gz PYSUSPUVSZENMV-KSFYIVLOSA-N 0 0 481.410 4.525 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)COCCO2)C1 ZINC001359879158 1064571258 /nfs/dbraw/zinc/57/12/58/1064571258.db2.gz PYSUSPUVSZENMV-AOMKIAJQSA-N 0 0 481.410 4.525 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)C1 ZINC001359879094 1064571335 /nfs/dbraw/zinc/57/13/35/1064571335.db2.gz PGLSJUQTVXMECI-ROUUACIJSA-N 0 0 460.985 4.980 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC001435179594 1064571498 /nfs/dbraw/zinc/57/14/98/1064571498.db2.gz BBBKMYIRQVUBSH-IBGZPJMESA-N 0 0 454.571 4.825 20 0 JJADRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1 ZINC001435179488 1064571632 /nfs/dbraw/zinc/57/16/32/1064571632.db2.gz FGQGACWUXAETGA-JGCGQSQUSA-N 0 0 451.592 4.813 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CSCCS2)C1 ZINC001359879400 1064572462 /nfs/dbraw/zinc/57/24/62/1064572462.db2.gz VGDKYAFRBHEVOA-RDJZCZTQSA-N 0 0 484.533 4.767 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001435181353 1064572609 /nfs/dbraw/zinc/57/26/09/1064572609.db2.gz SOQINFLZRZLIME-QFIPXVFZSA-N 0 0 453.558 4.784 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1 ZINC001435181625 1064572687 /nfs/dbraw/zinc/57/26/87/1064572687.db2.gz WRZHRHXBHHJDKW-YTTGMZPUSA-N 0 0 452.507 4.781 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)C1 ZINC001359879481 1064572964 /nfs/dbraw/zinc/57/29/64/1064572964.db2.gz WQQVLRYYXLEYML-QGZVFWFLSA-N 0 0 453.965 4.779 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001359879667 1064573329 /nfs/dbraw/zinc/57/33/29/1064573329.db2.gz ZWKCONPRCYWTGQ-UFYCRDLUSA-N 0 0 495.089 4.769 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001359879945 1064573371 /nfs/dbraw/zinc/57/33/71/1064573371.db2.gz ISMQVNZUMWMQNA-VFNWGFHPSA-N 0 0 450.362 4.926 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001435182760 1064573681 /nfs/dbraw/zinc/57/36/81/1064573681.db2.gz FNQXFVZKIQAWFG-UHFFFAOYSA-N 0 0 452.414 4.632 20 0 JJADRN COCCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(Cl)c1 ZINC001435182947 1064573717 /nfs/dbraw/zinc/57/37/17/1064573717.db2.gz GOXHEDBKUBJNLL-INIZCTEOSA-N 0 0 453.926 4.504 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001359880962 1064574277 /nfs/dbraw/zinc/57/42/77/1064574277.db2.gz KWHFKXAAYWZNIS-FQEVSTJZSA-N 0 0 481.044 4.810 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1 ZINC001359880746 1064574392 /nfs/dbraw/zinc/57/43/92/1064574392.db2.gz QBEBPHJGKHCUAJ-UHFFFAOYSA-N 0 0 456.546 4.942 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCO[C@H]2CCOC2)C1 ZINC001359880839 1064574595 /nfs/dbraw/zinc/57/45/95/1064574595.db2.gz JXKHUWFJKJRIJA-MJGOQNOKSA-N 0 0 495.437 4.915 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c2nccn2c1 ZINC001435184510 1064574613 /nfs/dbraw/zinc/57/46/13/1064574613.db2.gz NGOFTCZRKWWUPA-UHFFFAOYSA-N 0 0 452.436 4.844 20 0 JJADRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1 ZINC001435184582 1064574699 /nfs/dbraw/zinc/57/46/99/1064574699.db2.gz LMGQJEYLAVMQHW-ZDUSSCGKSA-N 0 0 457.354 4.635 20 0 JJADRN C[C@@H](NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185810 1064575051 /nfs/dbraw/zinc/57/50/51/1064575051.db2.gz SPNSKFLEPGTAAW-IVZQSRNASA-N 0 0 454.933 4.607 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001359881211 1064575138 /nfs/dbraw/zinc/57/51/38/1064575138.db2.gz UVRFVWRNAJVTTB-ZDUSSCGKSA-N 0 0 457.299 4.991 20 0 JJADRN O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccc(-n2cc(Br)cn2)cc1 ZINC001435185799 1064575234 /nfs/dbraw/zinc/57/52/34/1064575234.db2.gz QMHNQNKOXCGVCG-QFIPXVFZSA-N 0 0 454.368 4.849 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001359881677 1064575429 /nfs/dbraw/zinc/57/54/29/1064575429.db2.gz RJEOUCZLYYNSBO-FDDCHVKYSA-N 0 0 459.516 4.663 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)CCCc3ccccc3)C2)cc1 ZINC001435186028 1064575634 /nfs/dbraw/zinc/57/56/34/1064575634.db2.gz UUWVTZWFEZGZOK-QHCPKHFHSA-N 0 0 456.652 4.561 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001435186015 1064575800 /nfs/dbraw/zinc/57/58/00/1064575800.db2.gz UMRCXAWWKHQWKO-UHFFFAOYSA-N 0 0 455.358 4.972 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359882181 1064576103 /nfs/dbraw/zinc/57/61/03/1064576103.db2.gz YUDHXQLNBLROSC-QGZVFWFLSA-N 0 0 463.026 4.781 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C1 ZINC001359882003 1064576260 /nfs/dbraw/zinc/57/62/60/1064576260.db2.gz UXMHLYLWHVOJHN-QFIPXVFZSA-N 0 0 453.675 4.837 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(-n2cc(Br)cn2)cc1 ZINC001435186580 1064576270 /nfs/dbraw/zinc/57/62/70/1064576270.db2.gz WBTSXHGAKCBLJH-UHFFFAOYSA-N 0 0 458.209 4.967 20 0 JJADRN CC(C)CCn1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)nn1 ZINC001435186689 1064576280 /nfs/dbraw/zinc/57/62/80/1064576280.db2.gz YHFIKQUCIAFHMZ-UHFFFAOYSA-N 0 0 459.472 4.525 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359882804 1064576630 /nfs/dbraw/zinc/57/66/30/1064576630.db2.gz DAMRCOAPPKBIFO-IBGZPJMESA-N 0 0 473.612 4.811 20 0 JJADRN CCc1sc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)cc1Br ZINC001359882479 1064576647 /nfs/dbraw/zinc/57/66/47/1064576647.db2.gz DXCAECTZIYKQDO-UHFFFAOYSA-N 0 0 453.427 4.823 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359882805 1064576788 /nfs/dbraw/zinc/57/67/88/1064576788.db2.gz DAMRCOAPPKBIFO-LJQANCHMSA-N 0 0 473.612 4.811 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)C1 ZINC001359883024 1064577121 /nfs/dbraw/zinc/57/71/21/1064577121.db2.gz FSMJYGKRFWENLU-RTBURBONSA-N 0 0 485.620 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2CCOC2)C1 ZINC001359883238 1064577212 /nfs/dbraw/zinc/57/72/12/1064577212.db2.gz HIFHGBMMUIGQSB-FDFHNCONSA-N 0 0 475.678 4.692 20 0 JJADRN CCc1nc([C@@H](C)NC(=O)c2cccn2-c2cccc(I)c2)cs1 ZINC001435188095 1064577286 /nfs/dbraw/zinc/57/72/86/1064577286.db2.gz ZKIBBDHCGYNXHV-GFCCVEGCSA-N 0 0 451.333 4.592 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC001435188392 1064577622 /nfs/dbraw/zinc/57/76/22/1064577622.db2.gz IAYNRKMBZZSTER-YWZLYKJASA-N 0 0 450.398 4.517 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001435188583 1064577887 /nfs/dbraw/zinc/57/78/87/1064577887.db2.gz ADOJPJVGVPDIAX-BOLDSZDNSA-N 0 0 455.274 4.756 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC001359883829 1064578195 /nfs/dbraw/zinc/57/81/95/1064578195.db2.gz JUSJOUUJLASFQA-ILZDJORESA-N 0 0 467.511 4.723 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001359883614 1064578307 /nfs/dbraw/zinc/57/83/07/1064578307.db2.gz JKZPWVAQEKZTOW-WWOZWPLTSA-N 0 0 451.080 4.942 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)cc2)c1 ZINC001435188781 1064578443 /nfs/dbraw/zinc/57/84/43/1064578443.db2.gz BDYBPWDHYXPSQM-GOSISDBHSA-N 0 0 452.352 4.954 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190132 1064579620 /nfs/dbraw/zinc/57/96/20/1064579620.db2.gz GFVVBMGBVKVVAG-YOEHRIQHSA-N 0 0 455.393 4.579 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)[C@@H](C)CO1 ZINC001435190090 1064579694 /nfs/dbraw/zinc/57/96/94/1064579694.db2.gz FERKXHKKWBPLTH-WFASDCNBSA-N 0 0 454.162 4.517 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001359885235 1064579657 /nfs/dbraw/zinc/57/96/57/1064579657.db2.gz XNKDHZBPPYHRLU-FQEVSTJZSA-N 0 0 468.646 4.536 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)C1 ZINC001359885108 1064579831 /nfs/dbraw/zinc/57/98/31/1064579831.db2.gz VOZJLCKUABIHJE-UNMCSNQZSA-N 0 0 473.662 4.610 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359884902 1064579851 /nfs/dbraw/zinc/57/98/51/1064579851.db2.gz SDMHRKASOKVGTH-REWPJTCUSA-N 0 0 499.656 4.920 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001359884900 1064579899 /nfs/dbraw/zinc/57/98/99/1064579899.db2.gz SDMHRKASOKVGTH-NZQKXSOJSA-N 0 0 499.656 4.920 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)[C@@H](C)CO1 ZINC001435190553 1064580000 /nfs/dbraw/zinc/58/00/00/1064580000.db2.gz GZOWTANFIKBWBP-LRDDRELGSA-N 0 0 454.162 4.517 20 0 JJADRN Cc1ccccc1[C@H]1CN(C(=O)c2cc(Br)ncc2Br)[C@@H](C)CO1 ZINC001435190552 1064580119 /nfs/dbraw/zinc/58/01/19/1064580119.db2.gz GZOWTANFIKBWBP-BLLLJJGKSA-N 0 0 454.162 4.517 20 0 JJADRN CN(C(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1cccc(OC(F)(F)F)c1 ZINC001359885506 1064580171 /nfs/dbraw/zinc/58/01/71/1064580171.db2.gz ADLBKMRCSYONBA-UHFFFAOYSA-N 0 0 458.223 4.715 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nccn2C(F)F)C1 ZINC001359885357 1064580254 /nfs/dbraw/zinc/58/02/54/1064580254.db2.gz ZKXKRTCNQGTEHW-HNNXBMFYSA-N 0 0 450.484 4.659 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)C1CCCC1 ZINC001435191664 1064580397 /nfs/dbraw/zinc/58/03/97/1064580397.db2.gz WTDBXBCHTWUUOU-LJQANCHMSA-N 0 0 453.501 4.673 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001359885621 1064580769 /nfs/dbraw/zinc/58/07/69/1064580769.db2.gz DBEXUTSJXSHPMY-SBUREZEXSA-N 0 0 462.063 4.575 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001359885620 1064580783 /nfs/dbraw/zinc/58/07/83/1064580783.db2.gz DBEXUTSJXSHPMY-HXOBKFHXSA-N 0 0 462.063 4.575 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccn(C3CCCC3)n2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435191696 1064581093 /nfs/dbraw/zinc/58/10/93/1064581093.db2.gz NONVAQYLICVQGF-XMMPIXPASA-N 0 0 451.592 4.538 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Cc1cc(Br)ccc1F ZINC001435192191 1064581104 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AXYQXVINEMJCJZ-VWLOTQADSA-N 0 0 454.574 4.750 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc(Cl)c1OCCC(C)C ZINC001435192908 1064581716 /nfs/dbraw/zinc/58/17/16/1064581716.db2.gz FOZBGEVSHSOOMZ-QGZVFWFLSA-N 0 0 454.995 4.903 20 0 JJADRN CCSc1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001435193190 1064581987 /nfs/dbraw/zinc/58/19/87/1064581987.db2.gz GPDZENSJPFMQQC-KRWDZBQOSA-N 0 0 452.363 4.949 20 0 JJADRN COc1cc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)cc2cc1OC ZINC001435193580 1064582417 /nfs/dbraw/zinc/58/24/17/1064582417.db2.gz YMKVQWNPDJVAHI-GOSISDBHSA-N 0 0 455.352 4.628 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359886538 1064582546 /nfs/dbraw/zinc/58/25/46/1064582546.db2.gz MVZRDFSRXFHFST-RTBURBONSA-N 0 0 467.536 4.581 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001435194897 1064583156 /nfs/dbraw/zinc/58/31/56/1064583156.db2.gz MDHVFYJCKZYIBF-UHFFFAOYSA-N 0 0 456.930 4.519 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC001435194313 1064583261 /nfs/dbraw/zinc/58/32/61/1064583261.db2.gz JJKILHXSVPCHIP-UHFFFAOYSA-N 0 0 453.930 4.793 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@](C)(O)C(C)C)C1 ZINC001359887255 1064583450 /nfs/dbraw/zinc/58/34/50/1064583450.db2.gz UHOLSGKWEZJDJT-WZONZLPQSA-N 0 0 479.463 4.899 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(I)cc2)C1 ZINC001359887281 1064583493 /nfs/dbraw/zinc/58/34/93/1064583493.db2.gz USAKNXKNNWSSMS-GOSISDBHSA-N 0 0 464.395 4.756 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC001435195834 1064584160 /nfs/dbraw/zinc/58/41/60/1064584160.db2.gz UHIAZBQMCAJCLW-NZQKXSOJSA-N 0 0 465.912 4.890 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435196071 1064584187 /nfs/dbraw/zinc/58/41/87/1064584187.db2.gz ADZAHUBCDKPRFF-UHFFFAOYSA-N 0 0 456.333 4.835 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c(Cl)c1 ZINC001359887994 1064584282 /nfs/dbraw/zinc/58/42/82/1064584282.db2.gz RFBMFRVVFWMKLJ-UHFFFAOYSA-N 0 0 455.902 4.525 20 0 JJADRN CCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC001435196290 1064584778 /nfs/dbraw/zinc/58/47/78/1064584778.db2.gz RDWHPWYVXMDTLY-UHFFFAOYSA-N 0 0 458.649 4.717 20 0 JJADRN Cn1cc(CCC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c2ccccc21 ZINC001435196351 1064584838 /nfs/dbraw/zinc/58/48/38/1064584838.db2.gz BVGQFXZUGGEFIF-UHFFFAOYSA-N 0 0 451.368 4.951 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC001435196672 1064585168 /nfs/dbraw/zinc/58/51/68/1064585168.db2.gz ZFISYRATUXJRPF-RUZDIDTESA-N 0 0 456.542 4.679 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cs1 ZINC001435197428 1064585698 /nfs/dbraw/zinc/58/56/98/1064585698.db2.gz FRYPUQSVLYICPL-UHFFFAOYSA-N 0 0 457.558 4.715 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)n1C ZINC001435198545 1064586302 /nfs/dbraw/zinc/58/63/02/1064586302.db2.gz FQVAMAWGKVLPDR-CQSZACIVSA-N 0 0 454.372 4.652 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCOCC1 ZINC001359888702 1064586445 /nfs/dbraw/zinc/58/64/45/1064586445.db2.gz ICISDDWWOJIAQE-HSZRJFAPSA-N 0 0 479.463 4.758 20 0 JJADRN COc1cccc2c1OCC(C(=O)Nc1c(-c3ccc(Br)cc3)nc(C)n1C)=C2 ZINC001435199283 1064586783 /nfs/dbraw/zinc/58/67/83/1064586783.db2.gz JODXUGMYVMQBGN-UHFFFAOYSA-N 0 0 454.324 4.581 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001359889115 1064586829 /nfs/dbraw/zinc/58/68/29/1064586829.db2.gz LFDACVJZSKPAAD-UUOWRZLLSA-N 0 0 493.574 4.951 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)CCc2ccccc21 ZINC001435200038 1064587340 /nfs/dbraw/zinc/58/73/40/1064587340.db2.gz VAVQOWQTZJFJQT-QHCPKHFHSA-N 0 0 459.468 4.771 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1cccs1 ZINC001359889235 1064587595 /nfs/dbraw/zinc/58/75/95/1064587595.db2.gz NCRFXKAPDSURRG-KOSHJBKYSA-N 0 0 490.695 4.795 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC1CCOCC1 ZINC001359889429 1064587926 /nfs/dbraw/zinc/58/79/26/1064587926.db2.gz BXJDDJHKGHWUGV-HHHXNRCGSA-N 0 0 467.658 4.877 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001359890074 1064588945 /nfs/dbraw/zinc/58/89/45/1064588945.db2.gz RJJFUQSPGNKCSE-GWJPWWOOSA-N 0 0 450.624 4.686 20 0 JJADRN Cc1ccc(Cl)cc1OCC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435202321 1064588949 /nfs/dbraw/zinc/58/89/49/1064588949.db2.gz XLHDTSZFANLPOM-UHFFFAOYSA-N 0 0 453.642 4.765 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC001435202525 1064589004 /nfs/dbraw/zinc/58/90/04/1064589004.db2.gz PBKYEDMRRSYNMJ-FQEVSTJZSA-N 0 0 458.580 4.662 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001435202578 1064589072 /nfs/dbraw/zinc/58/90/72/1064589072.db2.gz HZWXOXVSNLTJEY-UHFFFAOYSA-N 0 0 454.375 4.522 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001435202103 1064589115 /nfs/dbraw/zinc/58/91/15/1064589115.db2.gz VQYIHENCVLHROT-UHFFFAOYSA-N 0 0 450.579 4.831 20 0 JJADRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC001435202190 1064589183 /nfs/dbraw/zinc/58/91/83/1064589183.db2.gz FRUKEAKXTRSGRV-UHFFFAOYSA-N 0 0 458.743 4.781 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001359890139 1064589349 /nfs/dbraw/zinc/58/93/49/1064589349.db2.gz HSABFQNAWCXLJM-SIBVEZHUSA-N 0 0 456.631 4.776 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 ZINC001359890370 1064589616 /nfs/dbraw/zinc/58/96/16/1064589616.db2.gz TVQLURSKGNYODJ-KJOQGJGQSA-N 0 0 488.698 4.695 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCCC[C@@H]1c1ccco1)Cc1ccccc1 ZINC001435202949 1064589780 /nfs/dbraw/zinc/58/97/80/1064589780.db2.gz UOLHAVRYASONAX-JOCHJYFZSA-N 0 0 455.599 4.750 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001359890364 1064589899 /nfs/dbraw/zinc/58/98/99/1064589899.db2.gz TUQWGRXTKVOICN-HTAPYJJXSA-N 0 0 487.998 4.859 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)CC1 ZINC001435203601 1064590094 /nfs/dbraw/zinc/59/00/94/1064590094.db2.gz VRPSADPTRQZJAA-JOCHJYFZSA-N 0 0 455.396 4.708 20 0 JJADRN O=C(CCc1nc(-c2ncccn2)no1)N(c1cccc(Br)c1)C1CCCCC1 ZINC001435204363 1064590252 /nfs/dbraw/zinc/59/02/52/1064590252.db2.gz PILBZGPFKZSJHD-UHFFFAOYSA-N 0 0 456.344 4.588 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(-n3cccn3)c(C)c2)c1C ZINC001435205010 1064590559 /nfs/dbraw/zinc/59/05/59/1064590559.db2.gz BVUBWNKQJNVTRN-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCCN(C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001435205254 1064590844 /nfs/dbraw/zinc/59/08/44/1064590844.db2.gz CLHCXAPZNUJKEN-IOMROCGXSA-N 0 0 457.640 4.934 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001359891094 1064591143 /nfs/dbraw/zinc/59/11/43/1064591143.db2.gz 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KIVPYHZNGVZDOU-PKOBYXMFSA-N 0 0 454.995 4.578 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001359899811 1064607169 /nfs/dbraw/zinc/60/71/69/1064607169.db2.gz KZGYYEQXANAEKT-FQRUVTKNSA-N 0 0 452.647 4.576 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCSC(C)(C)C1 ZINC001359900045 1064607561 /nfs/dbraw/zinc/60/75/61/1064607561.db2.gz NADOHUYZZZHWRL-RUZDIDTESA-N 0 0 455.672 4.800 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC001435227474 1064607776 /nfs/dbraw/zinc/60/77/76/1064607776.db2.gz VKKIINYWXSEGNC-FXAWDEMLSA-N 0 0 458.986 4.922 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001359900155 1064608371 /nfs/dbraw/zinc/60/83/71/1064608371.db2.gz OGORZCBNJLFRSX-DFBJGRDBSA-N 0 0 466.655 4.963 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 ZINC001435229148 1064608526 /nfs/dbraw/zinc/60/85/26/1064608526.db2.gz FLTQQJVCUSRSEY-UHFFFAOYSA-N 0 0 459.571 4.960 20 0 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1064658825 /nfs/dbraw/zinc/65/88/25/1064658825.db2.gz ZVRBTNIIAHLJMZ-ZDUSSCGKSA-N 0 0 455.723 4.560 20 0 JJADRN Cc1cc(C(=O)Oc2ccc(C)cc2I)nn1-c1cccc(Cl)c1 ZINC001435282040 1064658970 /nfs/dbraw/zinc/65/89/70/1064658970.db2.gz AMRNZEROPNGCMB-UHFFFAOYSA-N 0 0 452.679 4.966 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc1 ZINC001435283880 1064660963 /nfs/dbraw/zinc/66/09/63/1064660963.db2.gz ARZPYAVBVPZDFO-UHFFFAOYSA-N 0 0 457.482 4.570 20 0 JJADRN CC(C)CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC001435283208 1064661120 /nfs/dbraw/zinc/66/11/20/1064661120.db2.gz UYIXAMCBQVXUOP-MHZLTWQESA-N 0 0 459.546 4.670 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)O[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cnc12 ZINC001435284235 1064662067 /nfs/dbraw/zinc/66/20/67/1064662067.db2.gz XTHUANLOZXARIX-SFHVURJKSA-N 0 0 458.358 4.961 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n1 ZINC001435284318 1064662098 /nfs/dbraw/zinc/66/20/98/1064662098.db2.gz SBMSBERYCFFONV-ZDUSSCGKSA-N 0 0 452.342 4.568 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1C ZINC001435284965 1064662567 /nfs/dbraw/zinc/66/25/67/1064662567.db2.gz GBAUNQOPAUOWSS-OAHLLOKOSA-N 0 0 454.336 4.856 20 0 JJADRN COc1ccc(NC(=O)c2cc3sc(Br)cc3s2)cc1N1CCOC1=O ZINC001435285439 1064662691 /nfs/dbraw/zinc/66/26/91/1064662691.db2.gz DKFUAXPJYWPPGR-UHFFFAOYSA-N 0 0 453.339 4.943 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC001435285953 1064663027 /nfs/dbraw/zinc/66/30/27/1064663027.db2.gz ZHQUWFDGHCULKA-UHFFFAOYSA-N 0 0 453.438 4.795 20 0 JJADRN Cc1c(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001359927722 1064664097 /nfs/dbraw/zinc/66/40/97/1064664097.db2.gz IGNLIXUGNHRCBA-NRFANRHFSA-N 0 0 457.452 4.548 20 0 JJADRN CO[C@H](CNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1 ZINC001435287343 1064664066 /nfs/dbraw/zinc/66/40/66/1064664066.db2.gz KEZPDEFRTQGEIW-WOJBJXKFSA-N 0 0 451.792 4.743 20 0 JJADRN 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CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001359933280 1064673690 /nfs/dbraw/zinc/67/36/90/1064673690.db2.gz FVCNQKVYQCPTBB-UHFFFAOYSA-N 0 0 484.851 4.863 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001359933361 1064673752 /nfs/dbraw/zinc/67/37/52/1064673752.db2.gz QOJXJMNZCSMHKS-RGKFVRLKSA-N 0 0 463.022 4.890 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001359933384 1064673800 /nfs/dbraw/zinc/67/38/00/1064673800.db2.gz QZVGGYCHIPKGNG-AZUAARDMSA-N 0 0 474.049 4.860 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(Br)c(C)cc1Br ZINC001435299563 1064674342 /nfs/dbraw/zinc/67/43/42/1064674342.db2.gz BNVUSDLVTDYIRM-MRXNPFEDSA-N 0 0 455.146 4.782 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1nc(COC)sc1-c1ccccc1 ZINC001435298355 1064674356 /nfs/dbraw/zinc/67/43/56/1064674356.db2.gz VFUKZIZYNMCHDI-UHFFFAOYSA-N 0 0 450.608 4.730 20 0 JJADRN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001359933423 1064674601 /nfs/dbraw/zinc/67/46/01/1064674601.db2.gz RUWZDBFKCNECKI-SFHVURJKSA-N 0 0 477.053 4.748 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC001435301292 1064675946 /nfs/dbraw/zinc/67/59/46/1064675946.db2.gz MGGQVHXTZJHWLQ-QMMMGPOBSA-N 0 0 457.699 4.704 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001359933766 1064676045 /nfs/dbraw/zinc/67/60/45/1064676045.db2.gz XKIMIJPPVUANJC-UZLBHIALSA-N 0 0 496.881 4.564 20 0 JJADRN CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001435300625 1064676094 /nfs/dbraw/zinc/67/60/94/1064676094.db2.gz ICRPGKWJYILXFP-UHFFFAOYSA-N 0 0 450.501 4.590 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001359933763 1064676263 /nfs/dbraw/zinc/67/62/63/1064676263.db2.gz XKIMIJPPVUANJC-OXJNMPFZSA-N 0 0 496.881 4.564 20 0 JJADRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2Br)cccc1N1CCOC1=O ZINC001435301651 1064676920 /nfs/dbraw/zinc/67/69/20/1064676920.db2.gz 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O=C(Nc1c(F)cc(Br)cc1F)c1cnn(-c2cccc(Br)c2)c1 ZINC001435305837 1064679951 /nfs/dbraw/zinc/67/99/51/1064679951.db2.gz VKGQVDHTSLWFSF-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CC(C)CCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001359936365 1064679983 /nfs/dbraw/zinc/67/99/83/1064679983.db2.gz AIRUNLTUXOGWQY-GOSISDBHSA-N 0 0 455.582 4.520 20 0 JJADRN CCCN(C(=O)c1ccc(NC(=O)OCC)cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359936227 1064680031 /nfs/dbraw/zinc/68/00/31/1064680031.db2.gz SEVSZNNIIYDIBD-MRXNPFEDSA-N 0 0 453.967 4.770 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001545890160 1064681419 /nfs/dbraw/zinc/68/14/19/1064681419.db2.gz SIJALVCGOFNABJ-GEQKSPFYSA-N 0 0 471.621 4.520 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938079 1064681489 /nfs/dbraw/zinc/68/14/89/1064681489.db2.gz IUDQDRPORXTNMS-KDAKSJCZSA-N 0 0 455.549 4.838 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001359939530 1064683270 /nfs/dbraw/zinc/68/32/70/1064683270.db2.gz VGTIQYZNXWKBKX-QUCCMNQESA-N 0 0 463.420 4.559 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001359939735 1064683291 /nfs/dbraw/zinc/68/32/91/1064683291.db2.gz WIZOYWGUSUXTML-PZJWPPBQSA-N 0 0 485.677 4.686 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001359939871 1064684021 /nfs/dbraw/zinc/68/40/21/1064684021.db2.gz ZBHPHFZERMQTMA-ROUUACIJSA-N 0 0 454.644 4.612 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 ZINC001435309977 1064684078 /nfs/dbraw/zinc/68/40/78/1064684078.db2.gz QQECTWAZNVKPQD-OAQYLSRUSA-N 0 0 453.384 4.544 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)nnc1-c1ccccc1 ZINC001435310444 1064684180 /nfs/dbraw/zinc/68/41/80/1064684180.db2.gz XEZXWPMWQPRQFQ-WSTZPKSXSA-N 0 0 454.596 4.837 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)C1(c2cccnc2)CC2(CCC2)C1 ZINC001435310233 1064684258 /nfs/dbraw/zinc/68/42/58/1064684258.db2.gz BBWVBLGSHYXOGZ-UHFFFAOYSA-N 0 0 454.258 4.805 20 0 JJADRN CCc1ccc(CC)c(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001435311515 1064685034 /nfs/dbraw/zinc/68/50/34/1064685034.db2.gz JZHUIDJGOBZDNN-UHFFFAOYSA-N 0 0 454.617 4.872 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435311372 1064685119 /nfs/dbraw/zinc/68/51/19/1064685119.db2.gz JEJCMEMPQPAEKZ-BEFAXECRSA-N 0 0 450.576 4.671 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435311376 1064685152 /nfs/dbraw/zinc/68/51/52/1064685152.db2.gz JEJCMEMPQPAEKZ-HNAYVOBHSA-N 0 0 450.576 4.671 20 0 JJADRN Cc1cc(C)cc(C[C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC001435313135 1064685851 /nfs/dbraw/zinc/68/58/51/1064685851.db2.gz KXVBWCYKNIYROC-GOSISDBHSA-N 0 0 450.564 4.636 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1Br ZINC001435312786 1064685915 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XWQUIPMFQDEBQU-OKZBNKHCSA-N 0 0 456.970 4.936 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001359944009 1064689134 /nfs/dbraw/zinc/68/91/34/1064689134.db2.gz MHDWHFBBGJERNA-UZUQRXQVSA-N 0 0 483.440 4.984 20 0 JJADRN CC(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001359943725 1064689158 /nfs/dbraw/zinc/68/91/58/1064689158.db2.gz GPKWKSACKKCZTK-UHFFFAOYSA-N 0 0 455.006 4.580 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)c1ccccc1 ZINC001359944162 1064689944 /nfs/dbraw/zinc/68/99/44/1064689944.db2.gz NZVHQOYPBVFCQB-GOSISDBHSA-N 0 0 455.917 4.578 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001359944239 1064689998 /nfs/dbraw/zinc/68/99/98/1064689998.db2.gz QCEZPCCHSQCGAX-HXUWFJFHSA-N 0 0 491.105 4.852 20 0 JJADRN CC(C)CCn1c(CCCc2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001359944188 1064690057 /nfs/dbraw/zinc/69/00/57/1064690057.db2.gz OWYKAAIAMJEAPM-UHFFFAOYSA-N 0 0 465.667 4.914 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC001435317434 1064690133 /nfs/dbraw/zinc/69/01/33/1064690133.db2.gz XEGVYOIHFJPQOW-UHFFFAOYSA-N 0 0 453.285 4.979 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001435317007 1064690201 /nfs/dbraw/zinc/69/02/01/1064690201.db2.gz KUQOUXXTULRTBI-ZDUSSCGKSA-N 0 0 454.493 4.829 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(SC)ccc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435317661 1064690212 /nfs/dbraw/zinc/69/02/12/1064690212.db2.gz MGBAUZXDVPXKHJ-QHCPKHFHSA-N 0 0 455.601 4.648 20 0 JJADRN COC(=O)CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC001359944317 1064690790 /nfs/dbraw/zinc/69/07/90/1064690790.db2.gz POMKUKCWXKAADK-IBGZPJMESA-N 0 0 456.336 4.792 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cc2c(cncc2Br)s1 ZINC001435318288 1064690963 /nfs/dbraw/zinc/69/09/63/1064690963.db2.gz SBIAFCBRBBHLFS-UHFFFAOYSA-N 0 0 453.321 4.958 20 0 JJADRN CC[C@H](C(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC001435318132 1064690987 /nfs/dbraw/zinc/69/09/87/1064690987.db2.gz ORLWIGSBZXWURG-BJKOFHAPSA-N 0 0 455.551 4.637 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1 ZINC001435318389 1064692036 /nfs/dbraw/zinc/69/20/36/1064692036.db2.gz UNSRFSJXNBXWPP-AWEZNQCLSA-N 0 0 458.946 4.708 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1 ZINC001359944898 1064692470 /nfs/dbraw/zinc/69/24/70/1064692470.db2.gz WGTBBTQRUKDJLK-UHFFFAOYSA-N 0 0 451.951 4.817 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001359944761 1064692546 /nfs/dbraw/zinc/69/25/46/1064692546.db2.gz TVXKIJMBDFQZMU-INIZCTEOSA-N 0 0 459.450 4.905 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435319234 1064692595 /nfs/dbraw/zinc/69/25/95/1064692595.db2.gz ZJKYGBPOCAWVFU-DZRGJMJISA-N 0 0 455.620 4.911 20 0 JJADRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001435319061 1064692720 /nfs/dbraw/zinc/69/27/20/1064692720.db2.gz KVERLWPLXCQIIH-OAHLLOKOSA-N 0 0 454.514 4.726 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2CCOc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320241 1064694302 /nfs/dbraw/zinc/69/43/02/1064694302.db2.gz NVVQGXWAWVVALF-GGAORHGYSA-N 0 0 455.963 4.515 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001435320879 1064695085 /nfs/dbraw/zinc/69/50/85/1064695085.db2.gz CTGVRLHINJMHMW-CVEARBPZSA-N 0 0 451.419 4.776 20 0 JJADRN CC(C)CCn1c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359947523 1064696472 /nfs/dbraw/zinc/69/64/72/1064696472.db2.gz NMSDUCDAFVUMIQ-CLCZQPDDSA-N 0 0 470.658 4.969 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC001435323317 1064696521 /nfs/dbraw/zinc/69/65/21/1064696521.db2.gz IAYXHRGYKHFKNJ-FGZHOGPDSA-N 0 0 454.661 4.646 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)ccc1C(C)C ZINC001435324744 1064697194 /nfs/dbraw/zinc/69/71/94/1064697194.db2.gz SNEZYKJXOPRXOK-WOJBJXKFSA-N 0 0 457.014 4.841 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1(CC)CC ZINC001435325875 1064698721 /nfs/dbraw/zinc/69/87/21/1064698721.db2.gz AAHVPMDPVUEFIH-NSISKUIASA-N 0 0 455.426 4.946 20 0 JJADRN CC[C@H](CNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)Oc1ccccc1C ZINC001435327091 1064699353 /nfs/dbraw/zinc/69/93/53/1064699353.db2.gz XWQMPDIZACXCJZ-SUNMQZQPSA-N 0 0 459.575 4.682 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC001435326820 1064699384 /nfs/dbraw/zinc/69/93/84/1064699384.db2.gz YXQPRUKIWYZWCK-ZDUSSCGKSA-N 0 0 458.349 4.566 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)C2(Cc3ccc(Cl)cc3)CC2)c2ccccc2)c1 ZINC001435328999 1064700206 /nfs/dbraw/zinc/70/02/06/1064700206.db2.gz BCWTVPOHOYTCBQ-HSZRJFAPSA-N 0 0 453.991 4.972 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC001435329502 1064700781 /nfs/dbraw/zinc/70/07/81/1064700781.db2.gz FNQCWUXGDYDNHO-FQEVSTJZSA-N 0 0 458.558 4.781 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC001435331398 1064702598 /nfs/dbraw/zinc/70/25/98/1064702598.db2.gz DOKNIABDDQCMDS-UHFFFAOYSA-N 0 0 456.178 4.675 20 0 JJADRN CCc1ccc([C@H](NC(=O)c2csc(CC(C)C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331041 1064702623 /nfs/dbraw/zinc/70/26/23/1064702623.db2.gz VJCLIFLICPETFK-QHCPKHFHSA-N 0 0 456.633 4.827 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2(C)CC2)cc1 ZINC001359950277 1064704283 /nfs/dbraw/zinc/70/42/83/1064704283.db2.gz GJDOGQQKLNFDCR-LJQANCHMSA-N 0 0 493.574 4.675 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC001435332837 1064704696 /nfs/dbraw/zinc/70/46/96/1064704696.db2.gz MPPVGYDNXQJHJC-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 ZINC001359950371 1064704948 /nfs/dbraw/zinc/70/49/48/1064704948.db2.gz GFUZZFPFIICRNJ-UHFFFAOYSA-N 0 0 455.555 4.946 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCSCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435333358 1064705214 /nfs/dbraw/zinc/70/52/14/1064705214.db2.gz ONRYCHHHSGHYSU-RUZDIDTESA-N 0 0 453.629 4.928 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(F)(F)c3ccccc3Br)ccc2NC1=O ZINC001435333658 1064705245 /nfs/dbraw/zinc/70/52/45/1064705245.db2.gz QIUNCRKWFBQNLP-ZBEGNZNMSA-N 0 0 453.283 4.528 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 ZINC001435333195 1064705289 /nfs/dbraw/zinc/70/52/89/1064705289.db2.gz GYFIKZULTRZHNF-QFIPXVFZSA-N 0 0 457.452 4.752 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(F)(F)c3ccccc3Br)ccc2NC1=O ZINC001435333656 1064705430 /nfs/dbraw/zinc/70/54/30/1064705430.db2.gz QIUNCRKWFBQNLP-BZNIZROVSA-N 0 0 453.283 4.528 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001359950543 1064705325 /nfs/dbraw/zinc/70/53/25/1064705325.db2.gz KLNYQPHXPCSOFB-PKTZIBPZSA-N 0 0 456.631 4.800 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)ccc2NC1=O ZINC001435333689 1064705773 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ANFWRLPZUJVCFS-UHFFFAOYSA-N 0 0 450.276 4.579 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CC[C@@H](C)C[C@H]3c3ccc(C)o3)n2)CCCCCC1 ZINC001435338288 1064708594 /nfs/dbraw/zinc/70/85/94/1064708594.db2.gz BUQCMUKUTHXPLI-XLIONFOSSA-N 0 0 456.587 4.589 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)ccc1C(F)(F)F ZINC001435338666 1064708656 /nfs/dbraw/zinc/70/86/56/1064708656.db2.gz FMVSBRWLIRBBIY-GJZGRUSLSA-N 0 0 454.514 4.933 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCOc1cccc(I)c1 ZINC001435338430 1064708742 /nfs/dbraw/zinc/70/87/42/1064708742.db2.gz FJWNDVSLSAQIJC-IBGZPJMESA-N 0 0 451.348 4.848 20 0 JJADRN CS(=O)(=O)c1cccc2c1CCCN2C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001359951175 1064708733 /nfs/dbraw/zinc/70/87/33/1064708733.db2.gz SZAWMACVYOOBSD-UHFFFAOYSA-N 0 0 457.498 4.540 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CC(F)(F)CO2)cc1 ZINC001359951230 1064708911 /nfs/dbraw/zinc/70/89/11/1064708911.db2.gz UOYCRLVIQXQEOA-LJQANCHMSA-N 0 0 477.581 4.887 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)COc3ccc(C4SCCCS4)cc3)C2=O)cc1 ZINC001435340162 1064710082 /nfs/dbraw/zinc/71/00/82/1064710082.db2.gz HPAFPAFCQZQHHO-OAQYLSRUSA-N 0 0 456.633 4.554 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC=CO2)cc1 ZINC001359951702 1064710635 /nfs/dbraw/zinc/71/06/35/1064710635.db2.gz CIVGXEWODUVBOC-UKILVPOCSA-N 0 0 495.668 4.804 20 0 JJADRN CCCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435341368 1064710656 /nfs/dbraw/zinc/71/06/56/1064710656.db2.gz WGRITEVPWLYBSQ-PCCBWWKXSA-N 0 0 454.652 4.671 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001359951654 1064710848 /nfs/dbraw/zinc/71/08/48/1064710848.db2.gz AVZDGPMXUIMSAR-RLWLMLJZSA-N 0 0 456.631 4.802 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCS(C)(=O)=O)cc1 ZINC001359951761 1064711350 /nfs/dbraw/zinc/71/13/50/1064711350.db2.gz FKQYBUBGESCBAX-FQEVSTJZSA-N 0 0 476.687 4.677 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001359951906 1064711863 /nfs/dbraw/zinc/71/18/63/1064711863.db2.gz JCOJVEKSBZYCMD-UHFFFAOYSA-N 0 0 470.658 4.928 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001359951921 1064711943 /nfs/dbraw/zinc/71/19/43/1064711943.db2.gz JGTSIAYNACDIOU-YADHBBJMSA-N 0 0 470.658 4.784 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3cc(Br)cc(C(F)(F)F)c3)c2)o1 ZINC001435343225 1064712285 /nfs/dbraw/zinc/71/22/85/1064712285.db2.gz BVZCHSBBUKSZPY-UHFFFAOYSA-N 0 0 456.218 4.917 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CCCC2)cc1 ZINC001359951972 1064712316 /nfs/dbraw/zinc/71/23/16/1064712316.db2.gz KKYVKADOXDTKHV-OAQYLSRUSA-N 0 0 453.631 4.652 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001359951925 1064712421 /nfs/dbraw/zinc/71/24/21/1064712421.db2.gz JOOXQUHEIYQFOS-JOCHJYFZSA-N 0 0 467.658 4.898 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cccc(Cl)c2F)c2cc(F)ccc2F)c1 ZINC001435343904 1064712778 /nfs/dbraw/zinc/71/27/78/1064712778.db2.gz CDDXJOVFIWBVTB-FQEVSTJZSA-N 0 0 453.869 4.680 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CSc2nnnn2C2CCCC2)cc1 ZINC001435344049 1064712834 /nfs/dbraw/zinc/71/28/34/1064712834.db2.gz ZYHRJJLLJRLMKR-QGZVFWFLSA-N 0 0 451.596 4.776 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCC(C)(F)F)cc1 ZINC001359952035 1064713003 /nfs/dbraw/zinc/71/30/03/1064713003.db2.gz LSSWFTOKYUYNQC-UHFFFAOYSA-N 0 0 489.611 4.864 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(F)c(Cl)c2)c2cc(F)ccc2F)c1 ZINC001435345618 1064713260 /nfs/dbraw/zinc/71/32/60/1064713260.db2.gz JWZKXMQPOJPBKR-FQEVSTJZSA-N 0 0 453.869 4.680 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001435345071 1064713440 /nfs/dbraw/zinc/71/34/40/1064713440.db2.gz JWJKJZUQMGADRT-KBXCAEBGSA-N 0 0 450.988 4.766 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2(O)CCOC2)cc1 ZINC001359952086 1064713489 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YBRIDTWMGIFYHT-UHFFFAOYSA-N 0 0 453.631 4.763 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)C2(Cc3ccccc3Br)CC2)n1 ZINC001435348901 1064715677 /nfs/dbraw/zinc/71/56/77/1064715677.db2.gz IJYCLKCAKIZIEA-CQSZACIVSA-N 0 0 456.340 4.708 20 0 JJADRN COc1ccc(O[C@H](C)CNC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC001435350750 1064716657 /nfs/dbraw/zinc/71/66/57/1064716657.db2.gz IDEGCCNDHFEPTD-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C12CCCC2 ZINC001435350498 1064716866 /nfs/dbraw/zinc/71/68/66/1064716866.db2.gz RTSRAYSMGJVOJZ-QZTJIDSGSA-N 0 0 459.940 4.824 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(OCc2ccccc2)ccn1 ZINC001359953030 1064716892 /nfs/dbraw/zinc/71/68/92/1064716892.db2.gz BJOWWDXDGVRXRC-SANMLTNESA-N 0 0 451.526 4.640 20 0 JJADRN CC(C)C[C@@H]1CCN(C(=O)c2c(I)ccc(Br)c2F)C1 ZINC001435351184 1064717136 /nfs/dbraw/zinc/71/71/36/1064717136.db2.gz LUNNWAZFSRTGBX-JTQLQIEISA-N 0 0 454.121 4.701 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccccc1OCc1ccncc1 ZINC001359953599 1064717267 /nfs/dbraw/zinc/71/72/67/1064717267.db2.gz NUZZPWXPKOKMTR-RUZDIDTESA-N 0 0 451.526 4.640 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)CCCCc2ccc(I)cc2)C12CCCC2 ZINC001435352496 1064718326 /nfs/dbraw/zinc/71/83/26/1064718326.db2.gz ZYOMIEKCDNWCNV-MOPGFXCFSA-N 0 0 455.380 4.858 20 0 JJADRN CN1CCN(C(=O)CCCCc2ccc(I)cc2)c2ccc(F)cc21 ZINC001435353017 1064718501 /nfs/dbraw/zinc/71/85/01/1064718501.db2.gz SNARVVWVTLPOMN-UHFFFAOYSA-N 0 0 452.311 4.626 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2Cc2ccc(F)cn2)cc1 ZINC001359954101 1064718524 /nfs/dbraw/zinc/71/85/24/1064718524.db2.gz BXRMRJWSLCEMEU-UHFFFAOYSA-N 0 0 453.562 4.568 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cnc(OCC(C)C)c(Cl)c2)ccn1 ZINC001435353313 1064718932 /nfs/dbraw/zinc/71/89/32/1064718932.db2.gz NSWGPMIFOQURSK-UHFFFAOYSA-N 0 0 454.914 4.569 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(Cl)n2)cc1 ZINC001435354419 1064719388 /nfs/dbraw/zinc/71/93/88/1064719388.db2.gz FWZQWRCKLGIKOQ-UHFFFAOYSA-N 0 0 455.923 4.505 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001359954366 1064719440 /nfs/dbraw/zinc/71/94/40/1064719440.db2.gz IKGCWWUCVPHGAW-JJEXOMBSSA-N 0 0 456.631 4.535 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC001435354031 1064719548 /nfs/dbraw/zinc/71/95/48/1064719548.db2.gz PLUPRBQHQKLXFB-MRXNPFEDSA-N 0 0 451.995 4.796 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2C[C@H]2C)CC1 ZINC001359954426 1064719964 /nfs/dbraw/zinc/71/99/64/1064719964.db2.gz JQFORPRLWIFWTK-SJORKVTESA-N 0 0 464.452 4.734 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)ccn1 ZINC001435355086 1064720132 /nfs/dbraw/zinc/72/01/32/1064720132.db2.gz VPSXWNPADAEQRO-UHFFFAOYSA-N 0 0 455.518 4.597 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2=CCCCC2)CC1 ZINC001359954529 1064720027 /nfs/dbraw/zinc/72/00/27/1064720027.db2.gz KHKBPNGKYRFGHL-AREMUKBSSA-N 0 0 460.663 4.851 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)n2)c1 ZINC001435355922 1064720639 /nfs/dbraw/zinc/72/06/39/1064720639.db2.gz GWBRPHGZXHWYCD-OAHLLOKOSA-N 0 0 452.511 4.892 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccc3F)n2CCn2cc(Cl)cn2)CC1 ZINC001359954619 1064720522 /nfs/dbraw/zinc/72/05/22/1064720522.db2.gz NSONAQHOGDBVIA-UHFFFAOYSA-N 0 0 460.985 4.666 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1)n1nnc(-c2ccccc2)n1 ZINC001435355839 1064720664 /nfs/dbraw/zinc/72/06/64/1064720664.db2.gz FMVWEWYALXDTOF-HXUWFJFHSA-N 0 0 451.527 4.514 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NCc3ccc(C(=O)OC(C)(C)C)cc3)c(=O)oc2c1 ZINC001435356553 1064720881 /nfs/dbraw/zinc/72/08/81/1064720881.db2.gz JDJGFGANEMONCT-UHFFFAOYSA-N 0 0 450.535 4.525 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001359954682 1064720980 /nfs/dbraw/zinc/72/09/80/1064720980.db2.gz KLEKJHJDAYQDSY-ONTIZHBOSA-N 0 0 458.672 4.984 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cc4c(cncc4Br)s3)n2)c1 ZINC001435357111 1064721171 /nfs/dbraw/zinc/72/11/71/1064721171.db2.gz NOKSKDCNAHMOTI-JTQLQIEISA-N 0 0 459.325 4.608 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)COc3ccc(OCc4ccccc4)cc3)n2)c1 ZINC001435357761 1064721996 /nfs/dbraw/zinc/72/19/96/1064721996.db2.gz WXUHWSNUNNUNGV-GOSISDBHSA-N 0 0 459.502 4.580 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC(C)(C)C)CC1 ZINC001359954834 1064722116 /nfs/dbraw/zinc/72/21/16/1064722116.db2.gz RAFZHIIUDMXXBW-UHFFFAOYSA-N 0 0 450.027 4.840 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC2)cc1 ZINC001359954886 1064722255 /nfs/dbraw/zinc/72/22/55/1064722255.db2.gz MZJPFPLCUXRUFQ-IFMALSPDSA-N 0 0 499.656 4.510 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC4(CCOCC4)C3)n2CCC(C)(C)O)cc1 ZINC001359954989 1064722552 /nfs/dbraw/zinc/72/25/52/1064722552.db2.gz OYRUYSIUWQXWRR-UHFFFAOYSA-N 0 0 488.698 4.633 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC(=O)NC(C)C)cc1 ZINC001359955028 1064722601 /nfs/dbraw/zinc/72/26/01/1064722601.db2.gz PNEARRAVJAXUOW-WOJBJXKFSA-N 0 0 473.687 4.615 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)c(C)cc3Br)n2)c1 ZINC001435358986 1064723260 /nfs/dbraw/zinc/72/32/60/1064723260.db2.gz XFHHLKYBWUVJDC-LLVKDONJSA-N 0 0 450.720 4.961 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359955133 1064723332 /nfs/dbraw/zinc/72/33/32/1064723332.db2.gz QOWKYWQMKSDEDQ-LJQANCHMSA-N 0 0 494.727 4.525 20 0 JJADRN Cc1ccccc1-c1cnc(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)s1 ZINC001435359923 1064723714 /nfs/dbraw/zinc/72/37/14/1064723714.db2.gz CXRIRKNJGZQHAB-UHFFFAOYSA-N 0 0 451.367 4.537 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[C@H]2CCCCO2)cc1 ZINC001359955214 1064723913 /nfs/dbraw/zinc/72/39/13/1064723913.db2.gz XPLPGSCXLRHRMR-FUPPJEDESA-N 0 0 456.631 4.943 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001435360601 1064724220 /nfs/dbraw/zinc/72/42/20/1064724220.db2.gz LEXIFDBLHYZTAQ-NUJSQKRLSA-N 0 0 456.214 4.640 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(Nc3cnn(C)c3)n2C[C@H]2CSCCS2)cc1 ZINC001359955314 1064724311 /nfs/dbraw/zinc/72/43/11/1064724311.db2.gz ZLPWTFGMWGTXRB-FQEVSTJZSA-N 0 0 458.657 4.696 20 0 JJADRN C[C@H](C(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F)n1nnc(-c2ccccc2)n1 ZINC001435362981 1064724638 /nfs/dbraw/zinc/72/46/38/1064724638.db2.gz VIWNOFGGTFEQAF-IAQYHMDHSA-N 0 0 455.234 4.510 20 0 JJADRN CSCC[C@@H](C(=O)O[C@H](C)c1ccc(OCC(C)C)cc1)N1C(=O)c2ccccc2C1=O ZINC001435364187 1064725039 /nfs/dbraw/zinc/72/50/39/1064725039.db2.gz XZCPAXZNTBSMHI-VGSWGCGISA-N 0 0 455.576 4.744 20 0 JJADRN O=C(Cn1cc(-c2ccccc2)nn1)O[C@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001435363092 1064725229 /nfs/dbraw/zinc/72/52/29/1064725229.db2.gz VQZMOHHQDSTNLU-QGZVFWFLSA-N 0 0 458.209 4.694 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001435364318 1064725247 /nfs/dbraw/zinc/72/52/47/1064725247.db2.gz XENZNEJOIZMUCN-RMHQSFGDSA-N 0 0 453.535 4.981 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccccc2F)CC1 ZINC001359957641 1064725902 /nfs/dbraw/zinc/72/59/02/1064725902.db2.gz CQWXIOBCIGVWDA-QFIPXVFZSA-N 0 0 458.622 4.976 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001359957889 1064726318 /nfs/dbraw/zinc/72/63/18/1064726318.db2.gz GKTMALHVFNMJLZ-HYBUGGRVSA-N 0 0 456.631 4.653 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2sccc2Br)CC1 ZINC001359957764 1064726345 /nfs/dbraw/zinc/72/63/45/1064726345.db2.gz DLCUORAUVAOODU-UHFFFAOYSA-N 0 0 493.475 4.582 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC(C)C)CC1 ZINC001359957913 1064726370 /nfs/dbraw/zinc/72/63/70/1064726370.db2.gz HDAVGOMJHMZJIW-UHFFFAOYSA-N 0 0 452.603 4.672 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(Oc2ccccc2F)nc1 ZINC001435367457 1064726689 /nfs/dbraw/zinc/72/66/89/1064726689.db2.gz XIPJXVAKIDBGHJ-UHFFFAOYSA-N 0 0 457.889 4.742 20 0 JJADRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001435366853 1064726730 /nfs/dbraw/zinc/72/67/30/1064726730.db2.gz PMIFJBZSKPUEOQ-GOSISDBHSA-N 0 0 458.624 4.983 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001359958087 1064726712 /nfs/dbraw/zinc/72/67/12/1064726712.db2.gz MDKDQVXSFGYPDM-ZEQKJWHPSA-N 0 0 469.674 4.747 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(C)c3ccc(Cl)cc32)cc1 ZINC001435367015 1064726821 /nfs/dbraw/zinc/72/68/21/1064726821.db2.gz BCTQJJXPHMICIJ-QZTJIDSGSA-N 0 0 455.986 4.605 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001359958166 1064727278 /nfs/dbraw/zinc/72/72/78/1064727278.db2.gz NOXYRKXWGLTTSR-WMTXJRDZSA-N 0 0 462.679 4.655 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001359958621 1064728876 /nfs/dbraw/zinc/72/88/76/1064728876.db2.gz BSLDCYZVOWTTLT-UZLBHIALSA-N 0 0 483.426 4.507 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)n1 ZINC001435374623 1064729162 /nfs/dbraw/zinc/72/91/62/1064729162.db2.gz BCOLULIIMORHKW-INIZCTEOSA-N 0 0 454.452 4.776 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1 ZINC001435374662 1064729180 /nfs/dbraw/zinc/72/91/80/1064729180.db2.gz BOEWHDVUXCTEST-KRWDZBQOSA-N 0 0 459.575 4.752 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)Nc1nc2ccccc2n1CCc1ccccn1 ZINC001435375594 1064729628 /nfs/dbraw/zinc/72/96/28/1064729628.db2.gz HOMDNYRVHXBHCU-UHFFFAOYSA-N 0 0 453.315 4.757 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001435375264 1064729687 /nfs/dbraw/zinc/72/96/87/1064729687.db2.gz BUFWMOGQQUSGMH-KRWDZBQOSA-N 0 0 454.311 4.914 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001359958859 1064729631 /nfs/dbraw/zinc/72/96/31/1064729631.db2.gz KDSNDEJDUHMRPS-ZRZAMGCNSA-N 0 0 483.657 4.701 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc(Cl)c(I)c1 ZINC001435376950 1064730207 /nfs/dbraw/zinc/73/02/07/1064730207.db2.gz IOACCBLTJBAQRN-UHFFFAOYSA-N 0 0 454.720 4.998 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1cnc(-c2ccccc2)s1 ZINC001435377019 1064730268 /nfs/dbraw/zinc/73/02/68/1064730268.db2.gz KNQHYOKMNUWNCN-RUZDIDTESA-N 0 0 457.599 4.963 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001359958973 1064730388 /nfs/dbraw/zinc/73/03/88/1064730388.db2.gz MVIPDFAPPDQHIX-LJQANCHMSA-N 0 0 494.478 4.741 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC=C(Br)C1 ZINC001359959118 1064730573 /nfs/dbraw/zinc/73/05/73/1064730573.db2.gz RVQXVHVFWNAMJT-UHFFFAOYSA-N 0 0 491.430 4.658 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C(C)C)CC1 ZINC001359959161 1064730716 /nfs/dbraw/zinc/73/07/16/1064730716.db2.gz TXQISTXZJZWRKM-DRLORSAXSA-N 0 0 464.695 4.635 20 0 JJADRN Cc1nc(C)n(Cc2cccc(NC(=O)Cc3ccc(OCCOc4ccccc4)cc3)c2)n1 ZINC001435381283 1064731122 /nfs/dbraw/zinc/73/11/22/1064731122.db2.gz GISGCMXMWNMHIW-UHFFFAOYSA-N 0 0 456.546 4.582 20 0 JJADRN CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC001435380884 1064731371 /nfs/dbraw/zinc/73/13/71/1064731371.db2.gz HWETXLIAVZVUMN-UHFFFAOYSA-N 0 0 456.004 4.988 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001435383014 1064731751 /nfs/dbraw/zinc/73/17/51/1064731751.db2.gz AKBXHACDQBZOIU-MOPGFXCFSA-N 0 0 459.587 4.795 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001359959356 1064731875 /nfs/dbraw/zinc/73/18/75/1064731875.db2.gz YYGAADXBOXZLGS-RBBKRZOGSA-N 0 0 474.621 4.579 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001359959357 1064731907 /nfs/dbraw/zinc/73/19/07/1064731907.db2.gz YYGAADXBOXZLGS-UNMCSNQZSA-N 0 0 474.621 4.579 20 0 JJADRN CC(C)c1noc(CCNC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)n1 ZINC001359960410 1064732182 /nfs/dbraw/zinc/73/21/82/1064732182.db2.gz QDXHKJIPBHVCFE-UHFFFAOYSA-N 0 0 450.322 4.643 20 0 JJADRN Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC001435383404 1064732241 /nfs/dbraw/zinc/73/22/41/1064732241.db2.gz COKFOKMYEARRMM-MRXNPFEDSA-N 0 0 452.505 4.654 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001359960751 1064732691 /nfs/dbraw/zinc/73/26/91/1064732691.db2.gz CTYZOLHDWNTTHS-DHIUTWEWSA-N 0 0 478.584 4.829 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001359961051 1064733408 /nfs/dbraw/zinc/73/34/08/1064733408.db2.gz LYXUHTKQZYRPGY-OAQYLSRUSA-N 0 0 466.605 4.647 20 0 JJADRN CC(C)CCOCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H]1C(C)C ZINC001359961580 1064734304 /nfs/dbraw/zinc/73/43/04/1064734304.db2.gz YVPWPSYGTWJZGV-OAQYLSRUSA-N 0 0 452.603 4.672 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001359961632 1064734360 /nfs/dbraw/zinc/73/43/60/1064734360.db2.gz ABJKAUAIBJQVQW-UEVCKROQSA-N 0 0 460.594 4.688 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001359961663 1064734427 /nfs/dbraw/zinc/73/44/27/1064734427.db2.gz AZJWQOGQSRNZMO-YSFYHYPLSA-N 0 0 477.694 4.984 20 0 JJADRN COc1ccc(/C=C/C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC ZINC001435386608 1064734440 /nfs/dbraw/zinc/73/44/40/1064734440.db2.gz QXOSSDWEISDXNK-KETLNSEPSA-N 0 0 456.542 4.933 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)OCc2ccc(Cl)cc2Cl)C1 ZINC001435386973 1064734837 /nfs/dbraw/zinc/73/48/37/1064734837.db2.gz OJGGNUXPCHCUJX-GCJKJVERSA-N 0 0 452.334 4.853 20 0 JJADRN CCOc1cc(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)ccc1OCC(=O)OC ZINC001435387421 1064734885 /nfs/dbraw/zinc/73/48/85/1064734885.db2.gz RXYJOAARJPIJFT-UHFFFAOYSA-N 0 0 457.592 4.780 20 0 JJADRN Cc1ccc(SC2(CNC(=O)c3ccc(I)cn3)CCCC2)cc1 ZINC001435388756 1064734899 /nfs/dbraw/zinc/73/48/99/1064734899.db2.gz WLSTUDCAJQVBSU-UHFFFAOYSA-N 0 0 452.361 4.830 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cnn(-c3ccccc3Cl)c2)n1 ZINC001435387381 1064734930 /nfs/dbraw/zinc/73/49/30/1064734930.db2.gz QPQQRUMMXRHBIL-UHFFFAOYSA-N 0 0 458.305 4.670 20 0 JJADRN COCCOc1ccccc1COC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001435389653 1064735533 /nfs/dbraw/zinc/73/55/33/1064735533.db2.gz CPDCIYNGRZGQJZ-UHFFFAOYSA-N 0 0 453.495 4.517 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1F ZINC001435390681 1064735860 /nfs/dbraw/zinc/73/58/60/1064735860.db2.gz XFNWECYZYSHHMG-QVKFZJNVSA-N 0 0 455.530 4.629 20 0 JJADRN C[C@H](Cc1ccsc1)N(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC001435390825 1064736143 /nfs/dbraw/zinc/73/61/43/1064736143.db2.gz IYFGHCMYGKTFQK-QGZVFWFLSA-N 0 0 452.605 4.830 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)cc1C ZINC001359963185 1064736255 /nfs/dbraw/zinc/73/62/55/1064736255.db2.gz IKRFGHBICALRMN-UHFFFAOYSA-N 0 0 455.514 4.954 20 0 JJADRN COC(=O)c1cnn(CC(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)c1 ZINC001359963144 1064736472 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COc1ccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c(OC2CCCC2)c1 ZINC001435394730 1064737737 /nfs/dbraw/zinc/73/77/37/1064737737.db2.gz VUFMAAQXRFIQCM-UHFFFAOYSA-N 0 0 455.555 4.993 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1c(Cl)cccc1OCC1CC1 ZINC001435394836 1064737817 /nfs/dbraw/zinc/73/78/17/1064737817.db2.gz FWMNQQNVNFEEBQ-OAHLLOKOSA-N 0 0 452.860 4.683 20 0 JJADRN CC(C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001359964212 1064738017 /nfs/dbraw/zinc/73/80/17/1064738017.db2.gz OBTBLJZDZBIJQG-LJQANCHMSA-N 0 0 452.477 4.522 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc(I)cc2Br)cs1 ZINC001435395991 1064738248 /nfs/dbraw/zinc/73/82/48/1064738248.db2.gz GBGRKSJZFCBRFV-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(F)cc1I ZINC001435396215 1064738391 /nfs/dbraw/zinc/73/83/91/1064738391.db2.gz IOJSYGWEPCIYDY-DZGCQCFKSA-N 0 0 476.330 4.842 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001359964303 1064738330 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MVTIAISRGYOCST-BFUOFWGJSA-N 0 0 455.288 4.835 20 0 JJADRN CC[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Oc1ccccc1F ZINC001435400776 1064740325 /nfs/dbraw/zinc/74/03/25/1064740325.db2.gz DOUNVMYIUCGULA-QGZVFWFLSA-N 0 0 453.963 4.539 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359965257 1064740365 /nfs/dbraw/zinc/74/03/65/1064740365.db2.gz WHJXZZPWMFJQHJ-HXUWFJFHSA-N 0 0 486.661 4.532 20 0 JJADRN CC[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)Oc1ccccc1F ZINC001435401706 1064740675 /nfs/dbraw/zinc/74/06/75/1064740675.db2.gz IIYLKZJEWARYFP-QGZVFWFLSA-N 0 0 454.502 4.861 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359966053 1064741108 /nfs/dbraw/zinc/74/11/08/1064741108.db2.gz JEMVLYUREACZJY-SFHVURJKSA-N 0 0 453.384 4.767 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cnn1-c1ccccc1Cl ZINC001359966005 1064741122 /nfs/dbraw/zinc/74/11/22/1064741122.db2.gz IHBITDBQLNZFRL-MRXNPFEDSA-N 0 0 459.775 4.605 20 0 JJADRN 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0 0 461.050 4.982 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)o1 ZINC001435410806 1064744439 /nfs/dbraw/zinc/74/44/39/1064744439.db2.gz WMNOQIXNQQALBW-HXUWFJFHSA-N 0 0 451.910 4.737 20 0 JJADRN CC(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001359968508 1064744485 /nfs/dbraw/zinc/74/44/85/1064744485.db2.gz YPTAXFUROBKYQF-QHCPKHFHSA-N 0 0 486.554 4.600 20 0 JJADRN O=C(OCc1cc(F)cc(Br)c1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001435412878 1064744780 /nfs/dbraw/zinc/74/47/80/1064744780.db2.gz OFBHBWBWRGYAPU-IBGZPJMESA-N 0 0 450.304 4.823 20 0 JJADRN C[C@H](CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC001435413197 1064744875 /nfs/dbraw/zinc/74/48/75/1064744875.db2.gz GMDHLMBQRBCBTB-GFCCVEGCSA-N 0 0 453.404 4.923 20 0 JJADRN COc1ccc(-c2nc(COC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)no2)cc1 ZINC001359968684 1064744859 /nfs/dbraw/zinc/74/48/59/1064744859.db2.gz DZEJLWKTFJGDCA-UHFFFAOYSA-N 0 0 458.396 4.615 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)cc1 ZINC001435412068 1064745068 /nfs/dbraw/zinc/74/50/68/1064745068.db2.gz VGKJFAIMUHHTCI-UHFFFAOYSA-N 0 0 451.401 4.636 20 0 JJADRN Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@@H](C)N4CCOCC4)cc3)c2C(F)(F)F)c1 ZINC001359968603 1064745031 /nfs/dbraw/zinc/74/50/31/1064745031.db2.gz BKJNGCBYBSIARZ-QGZVFWFLSA-N 0 0 458.484 4.845 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001359969509 1064745321 /nfs/dbraw/zinc/74/53/21/1064745321.db2.gz JMSDAWRMHBWYIU-SANMLTNESA-N 0 0 456.558 4.595 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1OC ZINC001435414269 1064745413 /nfs/dbraw/zinc/74/54/13/1064745413.db2.gz URMLTOOEIVSATL-KRWDZBQOSA-N 0 0 456.970 4.894 20 0 JJADRN CC(C)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001359970025 1064745600 /nfs/dbraw/zinc/74/56/00/1064745600.db2.gz CQWWDKGRJIUYST-UHFFFAOYSA-N 0 0 497.043 4.718 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Cc2ccc(OCc3ccncc3)cc2)n1 ZINC001435415045 1064745863 /nfs/dbraw/zinc/74/58/63/1064745863.db2.gz KBXNVMAAAYDHKE-UHFFFAOYSA-N 0 0 452.558 4.839 20 0 JJADRN CC(C)CCOCCn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359970197 1064745865 /nfs/dbraw/zinc/74/58/65/1064745865.db2.gz JRDDEHNXXKYLLF-QFQXNSOFSA-N 0 0 456.631 4.505 20 0 JJADRN CC(C)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001359970058 1064745879 /nfs/dbraw/zinc/74/58/79/1064745879.db2.gz FEKZYVDEEIQPPU-UHFFFAOYSA-N 0 0 497.043 4.718 20 0 JJADRN CC(C)CCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001359970047 1064745891 /nfs/dbraw/zinc/74/58/91/1064745891.db2.gz DNIWAISHHINNDG-QHCPKHFHSA-N 0 0 465.063 4.903 20 0 JJADRN O=C(CCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Br)c(F)cc1Cl ZINC001435414655 1064745945 /nfs/dbraw/zinc/74/59/45/1064745945.db2.gz YSYFYKFIURMXSK-UHFFFAOYSA-N 0 0 453.695 4.647 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001359970446 1064746488 /nfs/dbraw/zinc/74/64/88/1064746488.db2.gz 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XKMIMGSZOXBXIV-SFHVURJKSA-N 0 0 454.280 4.620 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1c1cnn(C)c1)C(C)C ZINC001359985954 1064765506 /nfs/dbraw/zinc/76/55/06/1064765506.db2.gz SOFOQDJDDZQXAG-OAQYLSRUSA-N 0 0 456.038 4.872 20 0 JJADRN CC[C@H](NC(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435454334 1064766634 /nfs/dbraw/zinc/76/66/34/1064766634.db2.gz CFUOQJDVEOFKIR-RXOYHEDQSA-N 0 0 455.668 4.775 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCC(F)(F)F)C(C)C ZINC001359986368 1064767028 /nfs/dbraw/zinc/76/70/28/1064767028.db2.gz KBHXCTPVCQBSQD-UHFFFAOYSA-N 0 0 458.550 4.883 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1NC(=O)OC(C)(C)C ZINC001435455941 1064767131 /nfs/dbraw/zinc/76/71/31/1064767131.db2.gz PRVHZNMKFBLXMN-IBGZPJMESA-N 0 0 451.567 4.624 20 0 JJADRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435456687 1064767695 /nfs/dbraw/zinc/76/76/95/1064767695.db2.gz QPNNJJKKERDQAI-URZJWIJPSA-N 0 0 451.394 4.557 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC001435456774 1064768001 /nfs/dbraw/zinc/76/80/01/1064768001.db2.gz XZQZZFRUICBBOM-SFHVURJKSA-N 0 0 455.986 4.607 20 0 JJADRN CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435457054 1064768049 /nfs/dbraw/zinc/76/80/49/1064768049.db2.gz WBFZEFHDORFBKO-AHWVRZQESA-N 0 0 450.623 4.611 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)/C=C\c2csc(C(F)(F)F)c2)cc1 ZINC001435459044 1064768910 /nfs/dbraw/zinc/76/89/10/1064768910.db2.gz JFGYMJWNASKUGI-FTXNUJCXSA-N 0 0 454.514 4.953 20 0 JJADRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001435458445 1064769018 /nfs/dbraw/zinc/76/90/18/1064769018.db2.gz CFCSQIRPANSNFG-UHFFFAOYSA-N 0 0 450.482 4.821 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1 ZINC001435458502 1064769074 /nfs/dbraw/zinc/76/90/74/1064769074.db2.gz DKXFLMWDBUOUKH-VFNWGFHPSA-N 0 0 454.464 4.889 20 0 JJADRN C[C@@H](NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC001359988210 1064769090 /nfs/dbraw/zinc/76/90/90/1064769090.db2.gz WVOXOAXDHRNIAR-WYRIXSBYSA-N 0 0 451.778 4.850 20 0 JJADRN CCN(C(=O)C1CCC(S(C)(=O)=O)CC1)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC001359988426 1064769234 /nfs/dbraw/zinc/76/92/34/1064769234.db2.gz DUOUVUIPWZQJIE-MCSCQSGASA-N 0 0 456.633 4.838 20 0 JJADRN CCN(C(=O)Cn1cc(Br)cn1)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC001359988749 1064769566 /nfs/dbraw/zinc/76/95/66/1064769566.db2.gz RMXYRAIQRZUUMX-OAQYLSRUSA-N 0 0 455.381 4.893 20 0 JJADRN CC(C)CN(c1nnc(C2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C)C(C)C ZINC001359988997 1064769891 /nfs/dbraw/zinc/76/98/91/1064769891.db2.gz BLSIINYHUKVJAV-BHIFYINESA-N 0 0 475.678 4.831 20 0 JJADRN Cc1ccc(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c(OCCC(C)C)c1 ZINC001435460600 1064770331 /nfs/dbraw/zinc/77/03/31/1064770331.db2.gz GXMIMSOQANOSEF-LJQANCHMSA-N 0 0 459.384 4.925 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2nccn2C1)C(C)C ZINC001359989263 1064770281 /nfs/dbraw/zinc/77/02/81/1064770281.db2.gz HQRJFQFEANZDHJ-YADHBBJMSA-N 0 0 499.704 4.723 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC(F)(F)F)C(C)C ZINC001359989169 1064770528 /nfs/dbraw/zinc/77/05/28/1064770528.db2.gz GETVBTWADRBXJI-GOSISDBHSA-N 0 0 455.525 4.775 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)c(OCCC(C)C)c1 ZINC001435461345 1064770805 /nfs/dbraw/zinc/77/08/05/1064770805.db2.gz JPPZFIPESCDCCQ-DHIUTWEWSA-N 0 0 456.558 4.785 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1 ZINC001435461248 1064770888 /nfs/dbraw/zinc/77/08/88/1064770888.db2.gz XWCSICDRALNRDJ-CYBMUJFWSA-N 0 0 458.427 4.770 20 0 JJADRN CC(C)CN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC001359990060 1064771353 /nfs/dbraw/zinc/77/13/53/1064771353.db2.gz JBYWQKJKPVAWKU-QGZVFWFLSA-N 0 0 465.589 4.931 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CCCC1 ZINC001359989880 1064771500 /nfs/dbraw/zinc/77/15/00/1064771500.db2.gz QYMDUEYVRLGMQR-WZONZLPQSA-N 0 0 466.548 4.637 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1)C1CCCC1 ZINC001359989707 1064771569 /nfs/dbraw/zinc/77/15/69/1064771569.db2.gz DAJBBKGRSQYHLN-QGZVFWFLSA-N 0 0 467.536 4.680 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC001435462397 1064771844 /nfs/dbraw/zinc/77/18/44/1064771844.db2.gz CNAFXJKGGQLUTH-MBSDFSHPSA-N 0 0 454.567 4.760 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1Br)CC(C)C ZINC001435462458 1064771854 /nfs/dbraw/zinc/77/18/54/1064771854.db2.gz DZVNEZYPFZPSLJ-HSZRJFAPSA-N 0 0 457.412 4.970 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccccc3Br)CC(C)C)CC2=O)cc1 ZINC001435463117 1064772370 /nfs/dbraw/zinc/77/23/70/1064772370.db2.gz MMWHSOXACOTYJX-OAQYLSRUSA-N 0 0 457.412 4.791 20 0 JJADRN CC(C)CN(c1nnc(CC2CC2)n1Cc1ccc(I)cc1)C(C)C ZINC001359991883 1064774000 /nfs/dbraw/zinc/77/40/00/1064774000.db2.gz IOALVDHJJRNSSO-UHFFFAOYSA-N 0 0 452.384 4.754 20 0 JJADRN CC(C)CN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCCCCC1)C(C)C ZINC001359991686 1064774030 /nfs/dbraw/zinc/77/40/30/1064774030.db2.gz AWZCULVAMAYBJD-UHFFFAOYSA-N 0 0 464.658 4.945 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC001435466966 1064774443 /nfs/dbraw/zinc/77/44/43/1064774443.db2.gz HDIYPPJZEQYMPP-QGZVFWFLSA-N 0 0 459.999 4.917 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)Sc4ccccc43)c2)C1 ZINC001435466985 1064774898 /nfs/dbraw/zinc/77/48/98/1064774898.db2.gz HJBARDXKTNIBAF-ROUUACIJSA-N 0 0 458.649 4.884 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C(C)(C)C)C1CCCC1 ZINC001359992794 1064775089 /nfs/dbraw/zinc/77/50/89/1064775089.db2.gz DCOIBJSOIQTJJP-NHCUHLMSSA-N 0 0 461.695 4.764 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccccc3F)C3CCCC3)cc2)C1 ZINC001435469410 1064775987 /nfs/dbraw/zinc/77/59/87/1064775987.db2.gz DNXKACGRSPNFOU-MHECFPHRSA-N 0 0 458.599 4.908 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(F)c(F)c1)C(C)C ZINC001359993145 1064776210 /nfs/dbraw/zinc/77/62/10/1064776210.db2.gz PJKOMWPPOBRPDA-UHFFFAOYSA-N 0 0 461.582 4.661 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccc(Br)nc3)[C@H]2c2cccs2)cc1 ZINC001435469744 1064776506 /nfs/dbraw/zinc/77/65/06/1064776506.db2.gz KFEGIHHLVXBXDB-JXFKEZNVSA-N 0 0 456.365 4.947 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1 ZINC001435470257 1064776640 /nfs/dbraw/zinc/77/66/40/1064776640.db2.gz TYJQBRCUNUSUGE-QFIPXVFZSA-N 0 0 456.995 4.987 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2)C(C)C ZINC001359993341 1064776853 /nfs/dbraw/zinc/77/68/53/1064776853.db2.gz RVWOVLMSLKPKNQ-FQEVSTJZSA-N 0 0 485.629 4.998 20 0 JJADRN CC(C)CN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nncn1C)C1CCCC1 ZINC001359993525 1064777146 /nfs/dbraw/zinc/77/71/46/1064777146.db2.gz WGWZZKVTYHDALS-UHFFFAOYSA-N 0 0 478.428 4.746 20 0 JJADRN CC(C)CN(c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)C(C)C ZINC001359993381 1064777230 /nfs/dbraw/zinc/77/72/30/1064777230.db2.gz UCERBSMUSZFUCB-NRFANRHFSA-N 0 0 496.631 4.535 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCO)C1CCCC1 ZINC001359993593 1064777646 /nfs/dbraw/zinc/77/76/46/1064777646.db2.gz ZDQFHXPPPUQOGM-NRFANRHFSA-N 0 0 463.667 4.918 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C(C)C)C1CCCC1 ZINC001359993571 1064777700 /nfs/dbraw/zinc/77/77/00/1064777700.db2.gz YALFPDXWOBYBON-UNVFRBQDSA-N 0 0 477.694 4.861 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)OCCc2sccc21)C(C)C ZINC001359993611 1064777713 /nfs/dbraw/zinc/77/77/13/1064777713.db2.gz ZRUJSWZLHHRARS-DEOSSOPVSA-N 0 0 487.695 4.690 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359994762 1064778084 /nfs/dbraw/zinc/77/80/84/1064778084.db2.gz BQLMIGMGCONAHF-PKOBYXMFSA-N 0 0 461.582 4.659 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001359994818 1064778214 /nfs/dbraw/zinc/77/82/14/1064778214.db2.gz GUHASULWTZDFPH-ZIAGYGMSSA-N 0 0 455.049 4.727 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001359994760 1064778320 /nfs/dbraw/zinc/77/83/20/1064778320.db2.gz BQLMIGMGCONAHF-IEBWSBKVSA-N 0 0 461.582 4.659 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)[C@@]1(C)CC1(Br)Br ZINC001435474080 1064778535 /nfs/dbraw/zinc/77/85/35/1064778535.db2.gz BMGLRCBUCBZIJE-GFCCVEGCSA-N 0 0 455.972 4.682 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC001435474298 1064778617 /nfs/dbraw/zinc/77/86/17/1064778617.db2.gz DHUVZMYDUPBFJZ-AWEZNQCLSA-N 0 0 451.386 4.855 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC001435474292 1064779159 /nfs/dbraw/zinc/77/91/59/1064779159.db2.gz RKGUXIAUICEZSM-VXGBXAGGSA-N 0 0 459.153 4.865 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995184 1064779525 /nfs/dbraw/zinc/77/95/25/1064779525.db2.gz ALJJFYXDMURKRT-INIZCTEOSA-N 0 0 478.435 4.715 20 0 JJADRN COc1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)ccc1OCc1ccc(Cl)cc1 ZINC001435475946 1064779550 /nfs/dbraw/zinc/77/95/50/1064779550.db2.gz SQVWRBGZVYAEQJ-UHFFFAOYSA-N 0 0 457.935 4.510 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001359995092 1064779784 /nfs/dbraw/zinc/77/97/84/1064779784.db2.gz VHKOQVSFAYZVBE-CYBMUJFWSA-N 0 0 485.963 4.974 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001435476661 1064780264 /nfs/dbraw/zinc/78/02/64/1064780264.db2.gz ZZAVGNUUQGTMKF-UHFFFAOYSA-N 0 0 459.134 4.880 20 0 JJADRN COc1ccc(F)c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 ZINC001435476748 1064780288 /nfs/dbraw/zinc/78/02/88/1064780288.db2.gz ZHFVHNFKWHJRRV-KRWDZBQOSA-N 0 0 453.308 4.801 20 0 JJADRN C[C@@H]1N(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCOC1(C)C ZINC001435477768 1064780687 /nfs/dbraw/zinc/78/06/87/1064780687.db2.gz XOGRJXCKGAGWQA-INIZCTEOSA-N 0 0 456.999 4.706 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001359995543 1064781218 /nfs/dbraw/zinc/78/12/18/1064781218.db2.gz XUGQBLOZOABEEC-UHFFFAOYSA-N 0 0 482.854 4.712 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2C)s1 ZINC001359995698 1064781258 /nfs/dbraw/zinc/78/12/58/1064781258.db2.gz CFZRDJNKCFVOJS-MRXNPFEDSA-N 0 0 453.427 4.519 20 0 JJADRN COC(=O)C[C@@H](C)CC(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC001435479556 1064781591 /nfs/dbraw/zinc/78/15/91/1064781591.db2.gz KGQIGSJLDKTOQL-CYBMUJFWSA-N 0 0 459.296 4.661 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001359996805 1064782072 /nfs/dbraw/zinc/78/20/72/1064782072.db2.gz CYGGCVQIQNQOAG-OIBXWCBGSA-N 0 0 459.631 4.882 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC001359997019 1064782198 /nfs/dbraw/zinc/78/21/98/1064782198.db2.gz JSVUEGOLXBHGMB-LLVKDONJSA-N 0 0 452.761 4.951 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)c(C)c1 ZINC001359996764 1064782381 /nfs/dbraw/zinc/78/23/81/1064782381.db2.gz YKDSDBLSWNOFCH-HXUWFJFHSA-N 0 0 452.967 4.568 20 0 JJADRN C[C@H](c1cccc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001359996808 1064782418 /nfs/dbraw/zinc/78/24/18/1064782418.db2.gz CYGGCVQIQNQOAG-WTIAFYNJSA-N 0 0 459.631 4.882 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1F)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC001359997424 1064782700 /nfs/dbraw/zinc/78/27/00/1064782700.db2.gz ZFEQNGDFNJGYSX-KRWDZBQOSA-N 0 0 457.246 4.606 20 0 JJADRN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001435482272 1064782886 /nfs/dbraw/zinc/78/28/86/1064782886.db2.gz JVIICTRXLBSRCO-UHFFFAOYSA-N 0 0 450.207 4.626 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001359997539 1064782810 /nfs/dbraw/zinc/78/28/10/1064782810.db2.gz IBBAGPBDLOTVBA-UHFFFAOYSA-N 0 0 465.429 4.636 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(Cn2cccn2)CC1 ZINC001359997679 1064783412 /nfs/dbraw/zinc/78/34/12/1064783412.db2.gz PQZKPVMGZCDOCU-UHFFFAOYSA-N 0 0 461.383 4.616 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001359997829 1064783463 /nfs/dbraw/zinc/78/34/63/1064783463.db2.gz BBJAOAVHVWCXKA-LJQANCHMSA-N 0 0 464.614 4.633 20 0 JJADRN CC(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001359998061 1064783758 /nfs/dbraw/zinc/78/37/58/1064783758.db2.gz LQUDWJYVBUEUIW-XLIONFOSSA-N 0 0 466.586 4.606 20 0 JJADRN CC(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001359997880 1064784007 /nfs/dbraw/zinc/78/40/07/1064784007.db2.gz GVRJXCBMFAZJOA-SFHVURJKSA-N 0 0 452.603 4.538 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001435484788 1064784421 /nfs/dbraw/zinc/78/44/21/1064784421.db2.gz PKQDSNKIPNJTLZ-SYCZXOQXSA-N 0 0 457.324 4.613 20 0 JJADRN COC(=O)CSc1ccc(OC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1 ZINC001435487147 1064785292 /nfs/dbraw/zinc/78/52/92/1064785292.db2.gz SQZIPSQCWUWHGJ-UHFFFAOYSA-N 0 0 451.422 4.660 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001359999306 1064785403 /nfs/dbraw/zinc/78/54/03/1064785403.db2.gz SOCGFWRDTDHQJG-IBGZPJMESA-N 0 0 453.589 4.589 20 0 JJADRN O=C(COc1ccc(Br)cc1)Nc1cc(Br)ccc1N1CCCC1 ZINC001435487061 1064785524 /nfs/dbraw/zinc/78/55/24/1064785524.db2.gz FURRYSHRDJYWAG-UHFFFAOYSA-N 0 0 454.162 4.829 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001359999795 1064785833 /nfs/dbraw/zinc/78/58/33/1064785833.db2.gz YQRLYHOINLASHD-SFHVURJKSA-N 0 0 459.543 4.859 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)c2C(N)=O)C1 ZINC001435487403 1064786100 /nfs/dbraw/zinc/78/61/00/1064786100.db2.gz XFJNRFZVKDDHAW-UHFFFAOYSA-N 0 0 456.543 4.512 20 0 JJADRN CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001360000545 1064786424 /nfs/dbraw/zinc/78/64/24/1064786424.db2.gz LBNBDWHWFWTGMQ-FQEVSTJZSA-N 0 0 478.037 4.575 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)c1ccc(I)cc1)CCC2 ZINC001435488320 1064786529 /nfs/dbraw/zinc/78/65/29/1064786529.db2.gz MAHQFBKOCFKNCV-BLLLJJGKSA-N 0 0 454.377 4.950 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC001435490342 1064786902 /nfs/dbraw/zinc/78/69/02/1064786902.db2.gz WOCHNZMQDGGAMX-UHFFFAOYSA-N 0 0 454.567 4.890 20 0 JJADRN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001360000811 1064787077 /nfs/dbraw/zinc/78/70/77/1064787077.db2.gz QQGQUCJTNWCPEU-UHFFFAOYSA-N 0 0 450.896 4.550 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)Oc2cc(F)ccc2Br)Cc2ccccc2C1 ZINC001435491399 1064787383 /nfs/dbraw/zinc/78/73/83/1064787383.db2.gz JWQAAUPIBVPKSO-UHFFFAOYSA-N 0 0 450.304 4.556 20 0 JJADRN CC(C)n1c2ccc(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)cc2nc1C(F)(F)F ZINC001435492289 1064787450 /nfs/dbraw/zinc/78/74/50/1064787450.db2.gz AKDIWPJDFQDYIE-UHFFFAOYSA-N 0 0 457.449 4.572 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360001440 1064787473 /nfs/dbraw/zinc/78/74/73/1064787473.db2.gz OSFLBVMYEHQKGR-ROUUACIJSA-N 0 0 471.593 4.647 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1OC ZINC001435493687 1064788047 /nfs/dbraw/zinc/78/80/47/1064788047.db2.gz LYOGAESLYQUPGN-OAHLLOKOSA-N 0 0 450.329 4.667 20 0 JJADRN NC(=O)C[C@@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccccc1Cl ZINC001435492536 1064788157 /nfs/dbraw/zinc/78/81/57/1064788157.db2.gz SGOODDMSYQQBLS-OAHLLOKOSA-N 0 0 453.873 4.829 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3nc4ccccc4s3)cs2)cc1OC ZINC001435495526 1064788949 /nfs/dbraw/zinc/78/89/49/1064788949.db2.gz OAGQSGSHFLBNAQ-AWEZNQCLSA-N 0 0 453.589 4.727 20 0 JJADRN CC(C)c1nc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)nn1-c1ccccc1F ZINC001360003164 1064789083 /nfs/dbraw/zinc/78/90/83/1064789083.db2.gz UXIAZMSDUKGYRF-UHFFFAOYSA-N 0 0 454.502 4.774 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1Cc1ccc(C)c(OC)c1 ZINC001545891437 1064789521 /nfs/dbraw/zinc/78/95/21/1064789521.db2.gz AJAPGFJPSIMEBT-RTWAWAEBSA-N 0 0 453.631 4.578 20 0 JJADRN Cc1cnc(COCC(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)o1 ZINC001435496730 1064790097 /nfs/dbraw/zinc/79/00/97/1064790097.db2.gz GSTWCBQGRBRDGN-GFCCVEGCSA-N 0 0 450.358 4.571 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001360004674 1064791216 /nfs/dbraw/zinc/79/12/16/1064791216.db2.gz QAICWSZXMHFVAF-LJQANCHMSA-N 0 0 459.953 4.748 20 0 JJADRN COc1ccc(CCNC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1OC(F)F ZINC001360004666 1064791305 /nfs/dbraw/zinc/79/13/05/1064791305.db2.gz QQCOWHVBXHLDHF-UHFFFAOYSA-N 0 0 459.493 4.908 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004675 1064791340 /nfs/dbraw/zinc/79/13/40/1064791340.db2.gz QBDVATVHEADDMS-MOPGFXCFSA-N 0 0 475.609 4.782 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1cc2c(cncc2Br)s1 ZINC001435500411 1064791714 /nfs/dbraw/zinc/79/17/14/1064791714.db2.gz XEZMHRYCYUKMRC-UHFFFAOYSA-N 0 0 456.159 4.760 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360004941 1064791809 /nfs/dbraw/zinc/79/18/09/1064791809.db2.gz WTMNEJKIGPHBJB-INIZCTEOSA-N 0 0 484.428 4.923 20 0 JJADRN CC(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001360004972 1064791954 /nfs/dbraw/zinc/79/19/54/1064791954.db2.gz XXFUQZXUYLFNQY-UHFFFAOYSA-N 0 0 458.975 4.513 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(I)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001435502117 1064792141 /nfs/dbraw/zinc/79/21/41/1064792141.db2.gz GHMZEWYSZDNWRU-ZDUSSCGKSA-N 0 0 453.295 4.639 20 0 JJADRN CC(C)Cn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360005764 1064792524 /nfs/dbraw/zinc/79/25/24/1064792524.db2.gz ANLZOBWRJIOYOB-NRFANRHFSA-N 0 0 453.631 4.850 20 0 JJADRN C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001435503729 1064792711 /nfs/dbraw/zinc/79/27/11/1064792711.db2.gz PQRUYDQCQOBZRH-JHVJFLLYSA-N 0 0 450.348 4.768 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001360005923 1064792797 /nfs/dbraw/zinc/79/27/97/1064792797.db2.gz HNWNAVVAINWDJI-MSEWRSJXSA-N 0 0 460.022 4.921 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360005938 1064792824 /nfs/dbraw/zinc/79/28/24/1064792824.db2.gz IFFDSXFUCIPNRG-SJBKTWHCSA-N 0 0 499.631 4.943 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cc3ccccc3F)n2)cc1C ZINC001360005988 1064792923 /nfs/dbraw/zinc/79/29/23/1064792923.db2.gz ALHKFBSTBWZXHB-FQEVSTJZSA-N 0 0 455.580 4.644 20 0 JJADRN CCCc1noc2nc(-c3ccco3)cc(C(=O)NC(C)(C)C(=O)NCC3CCCCC3)c12 ZINC001435504206 1064793299 /nfs/dbraw/zinc/79/32/99/1064793299.db2.gz FZIJEKYQYBYQOX-UHFFFAOYSA-N 0 0 452.555 4.640 20 0 JJADRN Cc1c(I)cccc1C(=O)OCc1noc(-c2cccc(Cl)c2)n1 ZINC001435504509 1064793366 /nfs/dbraw/zinc/79/33/66/1064793366.db2.gz UGYGNVOCMZCBPK-UHFFFAOYSA-N 0 0 454.651 4.660 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCOc2cc(Cl)cc(Cl)c2)cc1C ZINC001360006460 1064793306 /nfs/dbraw/zinc/79/33/06/1064793306.db2.gz GUOSAUFHKFXXES-LJQANCHMSA-N 0 0 453.391 4.919 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001360006688 1064793451 /nfs/dbraw/zinc/79/34/51/1064793451.db2.gz VENDDZUFLSAEKB-GOSISDBHSA-N 0 0 464.079 4.868 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cccc(-n2cccn2)n1 ZINC001435505267 1064793724 /nfs/dbraw/zinc/79/37/24/1064793724.db2.gz YPEUSHSIPPNQSQ-NRFANRHFSA-N 0 0 451.299 4.688 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1csc(-c2ncc[nH]2)n1 ZINC001435505049 1064793802 /nfs/dbraw/zinc/79/38/02/1064793802.db2.gz VYVYQKAXPXBVMA-QGZVFWFLSA-N 0 0 457.328 4.954 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc4c3CCN4C(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC001435506429 1064794186 /nfs/dbraw/zinc/79/41/86/1064794186.db2.gz AVBLSMCORFPTTL-QZTJIDSGSA-N 0 0 451.567 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)CCCNC(=O)OCc1ccccc1 ZINC001435507111 1064794778 /nfs/dbraw/zinc/79/47/78/1064794778.db2.gz JSHFSWMZBHWZDE-UHFFFAOYSA-N 0 0 453.539 4.629 20 0 JJADRN CN(CCC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC001435507984 1064794956 /nfs/dbraw/zinc/79/49/56/1064794956.db2.gz RCBPEVWDGNNTPA-UHFFFAOYSA-N 0 0 453.539 4.581 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Br)c(Cl)c2)c(OC[C@@H]2CCCO2)c1 ZINC001435508297 1064795033 /nfs/dbraw/zinc/79/50/33/1064795033.db2.gz UFXRSPOFYOILGE-KRWDZBQOSA-N 0 0 452.776 4.828 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1 ZINC001435509129 1064795585 /nfs/dbraw/zinc/79/55/85/1064795585.db2.gz FNIOXXXZHURMCV-HZMBPMFUSA-N 0 0 454.695 4.791 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cc1C ZINC001360007776 1064795909 /nfs/dbraw/zinc/79/59/09/1064795909.db2.gz YNCWQQGPDCLSMR-PBHICJAKSA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccc(CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)c(OC[C@H]2CCCO2)c1 ZINC001435509843 1064796184 /nfs/dbraw/zinc/79/61/84/1064796184.db2.gz WVUKEQFHKVKGRF-RUZDIDTESA-N 0 0 458.558 4.516 20 0 JJADRN Cc1ccc(CNC(=O)CCc2cccc(F)c2Br)c(OC[C@H]2CCCO2)c1 ZINC001435509427 1064796304 /nfs/dbraw/zinc/79/63/04/1064796304.db2.gz YXFCPPMBUMXILD-GOSISDBHSA-N 0 0 450.348 4.703 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)C1(CCOCc2ccccc2)CC1 ZINC001435510306 1064796555 /nfs/dbraw/zinc/79/65/55/1064796555.db2.gz RUQNQSGTMYLBFQ-UHFFFAOYSA-N 0 0 454.162 4.932 20 0 JJADRN Cc1ccc(CNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c(OCCCC(C)C)c1 ZINC001435509910 1064796582 /nfs/dbraw/zinc/79/65/82/1064796582.db2.gz ZKUAINRBXZKCIZ-UHFFFAOYSA-N 0 0 453.558 4.744 20 0 JJADRN CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCC(C)(F)F)CCN2C1=O ZINC001360008168 1064796815 /nfs/dbraw/zinc/79/68/15/1064796815.db2.gz LZKPQDLFIOYRKO-OAQYLSRUSA-N 0 0 488.627 4.870 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)CCCCc1nc3ccccc3s1)CC2 ZINC001435510726 1064797215 /nfs/dbraw/zinc/79/72/15/1064797215.db2.gz ZZUGQOSURZLOMG-UHFFFAOYSA-N 0 0 454.592 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)CC2 ZINC001435514601 1064798820 /nfs/dbraw/zinc/79/88/20/1064798820.db2.gz RGBGHHPDFKFJJM-RPYGNYITSA-N 0 0 455.382 4.905 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)Cc2cnn3ccccc23)c1 ZINC001435513376 1064798902 /nfs/dbraw/zinc/79/89/02/1064798902.db2.gz JUWCDUJTPLLLPG-UHFFFAOYSA-N 0 0 452.923 4.502 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001435515749 1064799137 /nfs/dbraw/zinc/79/91/37/1064799137.db2.gz DWVJRVMDQNZAAX-QZTJIDSGSA-N 0 0 458.288 4.684 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCC2(CC1)OCc1ccccc12 ZINC001435516621 1064800150 /nfs/dbraw/zinc/80/01/50/1064800150.db2.gz NPNUAJZHNZOFDS-UHFFFAOYSA-N 0 0 451.158 4.873 20 0 JJADRN O=C(OC1CCCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001435517856 1064801068 /nfs/dbraw/zinc/80/10/68/1064801068.db2.gz FFUBUOOXTLMRGD-BDTNDASRSA-N 0 0 456.380 4.766 20 0 JJADRN CC(C)CO[C@H]1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001435518661 1064801641 /nfs/dbraw/zinc/80/16/41/1064801641.db2.gz HOEQSQMSJROHEY-HNNXBMFYSA-N 0 0 455.908 4.920 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)Cc1c(C)nc2ccccc2c1C ZINC001435518226 1064801660 /nfs/dbraw/zinc/80/16/60/1064801660.db2.gz YURAHYVWNLWZNZ-QFIPXVFZSA-N 0 0 459.373 4.992 20 0 JJADRN CCOc1cc(Cl)ccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC001435518945 1064801752 /nfs/dbraw/zinc/80/17/52/1064801752.db2.gz ITPADFXNOWMSMD-UHFFFAOYSA-N 0 0 451.832 4.864 20 0 JJADRN CCOC(=O)c1c(NC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)cc(OC)cc1OC ZINC001435518294 1064801850 /nfs/dbraw/zinc/80/18/50/1064801850.db2.gz FTUVIVQFHQKEIF-RAXLEYEMSA-N 0 0 453.413 4.821 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCC(C)C)C2)c1 ZINC001435519521 1064802512 /nfs/dbraw/zinc/80/25/12/1064802512.db2.gz NMYQPUMCHUIKKX-QHCPKHFHSA-N 0 0 458.624 4.569 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435520121 1064803396 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JJADRN Cc1cc(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)ccc1F ZINC001435525475 1064808006 /nfs/dbraw/zinc/80/80/06/1064808006.db2.gz IMVAOVONFWQZAP-UHFFFAOYSA-N 0 0 453.539 4.514 20 0 JJADRN C[C@@H]1C(=O)Nc2cc(C(=O)N(Cc3ccccc3Br)C3CCCC3)ccc2N1C ZINC001435525420 1064808277 /nfs/dbraw/zinc/80/82/77/1064808277.db2.gz HJASOKKKFDJZCQ-OAHLLOKOSA-N 0 0 456.384 4.811 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001360012201 1064808372 /nfs/dbraw/zinc/80/83/72/1064808372.db2.gz QHCVBMUYAWJKEU-LRTDBIEQSA-N 0 0 455.386 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2nnc(-c3ccccc3)s2)CC[C@@H]2CCCC[C@@H]21 ZINC001435526257 1064808981 /nfs/dbraw/zinc/80/89/81/1064808981.db2.gz PGZWPJWFCZLMPD-WDSOQIARSA-N 0 0 456.612 4.780 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)c2ccc(OC(F)(F)F)cc2Br)n1 ZINC001435529144 1064810421 /nfs/dbraw/zinc/81/04/21/1064810421.db2.gz QZLQKAWYNVPOBM-UHFFFAOYSA-N 0 0 454.246 4.772 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001435529862 1064811264 /nfs/dbraw/zinc/81/12/64/1064811264.db2.gz BPCFKVSJKACTKM-INIZCTEOSA-N 0 0 450.539 4.960 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001435530314 1064811384 /nfs/dbraw/zinc/81/13/84/1064811384.db2.gz IQUMANKKVBIGOV-CQSZACIVSA-N 0 0 450.532 4.948 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(C)C)CC2)[C@@H](C)C1=O ZINC001360014156 1064812059 /nfs/dbraw/zinc/81/20/59/1064812059.db2.gz DBGSALLVMPVDHD-PMACEKPBSA-N 0 0 471.621 4.687 20 0 JJADRN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC001360013025 1064812076 /nfs/dbraw/zinc/81/20/76/1064812076.db2.gz ANDKPTKALIKJSL-CQSZACIVSA-N 0 0 456.490 4.707 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1 ZINC001360013189 1064812143 /nfs/dbraw/zinc/81/21/43/1064812143.db2.gz ZWIVBLNNJWJPOZ-SIBVEZHUSA-N 0 0 459.631 4.762 20 0 JJADRN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001360013732 1064812166 /nfs/dbraw/zinc/81/21/66/1064812166.db2.gz XIMRGQQOOWISTE-CQSZACIVSA-N 0 0 454.942 4.564 20 0 JJADRN CCC[C@H]1CCc2ccccc2N1C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC001435531123 1064812179 /nfs/dbraw/zinc/81/21/79/1064812179.db2.gz XRUHIJPDTKJZRZ-QFIPXVFZSA-N 0 0 450.579 4.704 20 0 JJADRN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2C(F)(F)F)[C@@H](C)C1=O ZINC001360014573 1064813009 /nfs/dbraw/zinc/81/30/09/1064813009.db2.gz LDYOTMRWAWYTFY-KRWDZBQOSA-N 0 0 465.564 4.530 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)o2)cc1 ZINC001435533951 1064813776 /nfs/dbraw/zinc/81/37/76/1064813776.db2.gz AGRQYVXKTKWCST-HNNXBMFYSA-N 0 0 450.470 4.658 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)c1 ZINC001435533123 1064813928 /nfs/dbraw/zinc/81/39/28/1064813928.db2.gz BBLNZMHZGCBAQN-UHFFFAOYSA-N 0 0 452.551 4.772 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n2)cc1F ZINC001435533954 1064814604 /nfs/dbraw/zinc/81/46/04/1064814604.db2.gz AJFJPHJTASXSAH-SNVBAGLBSA-N 0 0 457.355 4.878 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)CC2)c1 ZINC001435535946 1064815215 /nfs/dbraw/zinc/81/52/15/1064815215.db2.gz STGOGMWMNUBUFC-QGZVFWFLSA-N 0 0 450.501 4.955 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCCn3ccc4cc(Cl)ccc43)CC2)c1 ZINC001435536446 1064815253 /nfs/dbraw/zinc/81/52/53/1064815253.db2.gz XYOOIVFGOZHZBP-UHFFFAOYSA-N 0 0 455.986 4.831 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)CN(C(=O)c3ccccc3)c3ccccc3)n2)cc1F ZINC001435535496 1064815268 /nfs/dbraw/zinc/81/52/68/1064815268.db2.gz PQXKSRVOMNZSCM-SFHVURJKSA-N 0 0 458.493 4.708 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)[C@H](C)C1=O ZINC001360016254 1064815254 /nfs/dbraw/zinc/81/52/54/1064815254.db2.gz YJUDPSYIONAVDA-WOJBJXKFSA-N 0 0 471.621 4.831 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)[C@H](C)C1=O ZINC001360016252 1064815585 /nfs/dbraw/zinc/81/55/85/1064815585.db2.gz YJUDPSYIONAVDA-UXHICEINSA-N 0 0 471.621 4.831 20 0 JJADRN O=C(Cn1nc(C(F)F)cc1C(F)F)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC001435537455 1064816041 /nfs/dbraw/zinc/81/60/41/1064816041.db2.gz MYQBTKKOBSMIQO-UHFFFAOYSA-N 0 0 450.166 4.983 20 0 JJADRN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001435537270 1064816199 /nfs/dbraw/zinc/81/61/99/1064816199.db2.gz SBUBSCZLLYQQKE-BQNPTPDXSA-N 0 0 454.517 4.736 20 0 JJADRN O=C(Nc1ccccc1CCC(F)(F)F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC001435538473 1064816219 /nfs/dbraw/zinc/81/62/19/1064816219.db2.gz BLBGRHXOHMUQPI-UHFFFAOYSA-N 0 0 459.445 4.811 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001435538769 1064816796 /nfs/dbraw/zinc/81/67/96/1064816796.db2.gz GOPZEQKEQNEVHO-LJQANCHMSA-N 0 0 456.583 4.708 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1=O ZINC001360017139 1064817103 /nfs/dbraw/zinc/81/71/03/1064817103.db2.gz AQNMCLQXNOLWKF-REWPJTCUSA-N 0 0 488.076 4.744 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3CCOc4ccc(Br)cc43)n2)cc1 ZINC001435540585 1064817652 /nfs/dbraw/zinc/81/76/52/1064817652.db2.gz SGXIHPLGFDKCLX-CXAGYDPISA-N 0 0 456.340 4.805 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2C[C@H]2C)[C@@H](C)C1=O ZINC001360017383 1064817844 /nfs/dbraw/zinc/81/78/44/1064817844.db2.gz DBLISXMRLYNTLG-PMPSAXMXSA-N 0 0 450.414 4.601 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CCCS2)[C@@H](C)C1=O ZINC001360017391 1064817884 /nfs/dbraw/zinc/81/78/84/1064817884.db2.gz DDXMQPIMOKBLSV-QMHKHESXSA-N 0 0 480.053 4.716 20 0 JJADRN CN(c1ccccc1NC(=O)COc1cccc(I)c1)C1CCCC1 ZINC001435541626 1064819103 /nfs/dbraw/zinc/81/91/03/1064819103.db2.gz BKDCGUBCSCQSJM-UHFFFAOYSA-N 0 0 450.320 4.688 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)nc1 ZINC001435542017 1064819146 /nfs/dbraw/zinc/81/91/46/1064819146.db2.gz FPFKNMPOMGOWED-JOCHJYFZSA-N 0 0 452.942 4.925 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCCCC2)CC1=O ZINC001360018563 1064820354 /nfs/dbraw/zinc/82/03/54/1064820354.db2.gz RUXSSIFVOCFINJ-UHFFFAOYSA-N 0 0 492.437 4.732 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(C)C)[C@H](C)C1=O ZINC001360018570 1064820389 /nfs/dbraw/zinc/82/03/89/1064820389.db2.gz RZBXEOMSOOORKO-LJQANCHMSA-N 0 0 497.043 4.522 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC001435544656 1064820636 /nfs/dbraw/zinc/82/06/36/1064820636.db2.gz IJRCVSLGBHXUHC-CUDHKJQZSA-N 0 0 454.571 4.730 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CCOC1CCCCCC1 ZINC001545891756 1064822176 /nfs/dbraw/zinc/82/21/76/1064822176.db2.gz HKCBTGNDTGWTPE-SFTDATJTSA-N 0 0 459.679 4.952 20 0 JJADRN 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ZINC001435586401 1064851334 /nfs/dbraw/zinc/85/13/34/1064851334.db2.gz XHGGASYRMOEPQW-UKRRQHHQSA-N 0 0 459.443 4.847 20 0 JJADRN CCc1cc(C(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc(Cl)n1 ZINC001360038843 1064851397 /nfs/dbraw/zinc/85/13/97/1064851397.db2.gz BWKFQAXJVZTPKG-KOSHJBKYSA-N 0 0 456.030 4.923 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360038801 1064851499 /nfs/dbraw/zinc/85/14/99/1064851499.db2.gz AIMCZMPEFAAVJD-ZMYZIZRNSA-N 0 0 456.671 4.982 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001435587749 1064852135 /nfs/dbraw/zinc/85/21/35/1064852135.db2.gz OAQPAJFQGXNEIL-UHFFFAOYSA-N 0 0 459.571 4.836 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-c4ccc(F)cc4)cc3)CC2=O)cc1 ZINC001435587802 1064852278 /nfs/dbraw/zinc/85/22/78/1064852278.db2.gz LESQNOAOGHSEIJ-HTAPYJJXSA-N 0 0 459.521 4.681 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)c2C(C)C)cc1 ZINC001435588067 1064852761 /nfs/dbraw/zinc/85/27/61/1064852761.db2.gz NLYXMXPBUUBNGZ-INIZCTEOSA-N 0 0 454.933 4.632 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360039450 1064853164 /nfs/dbraw/zinc/85/31/64/1064853164.db2.gz INNQUVPJDQPNTA-ISJBWFOZSA-N 0 0 450.623 4.811 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCc1ccc(F)cc1F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360039594 1064853317 /nfs/dbraw/zinc/85/33/17/1064853317.db2.gz JQKYBQULWIVYOS-AFMDSPMNSA-N 0 0 456.577 4.910 20 0 JJADRN O=C(Oc1cc(Br)ccc1Cl)c1cn(-c2ccc(Br)cc2)nn1 ZINC001435588506 1064853615 /nfs/dbraw/zinc/85/36/15/1064853615.db2.gz VNNQQFHNVZTPJZ-UHFFFAOYSA-N 0 0 457.509 4.665 20 0 JJADRN COc1cc(CCC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc(OC)c1 ZINC001435588671 1064853658 /nfs/dbraw/zinc/85/36/58/1064853658.db2.gz YIXXEUHQDVBHIU-FQEVSTJZSA-N 0 0 455.599 4.939 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001435589212 1064854362 /nfs/dbraw/zinc/85/43/62/1064854362.db2.gz SMNQIZAWTBQGMS-LLVKDONJSA-N 0 0 455.700 4.996 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC001435588849 1064854376 /nfs/dbraw/zinc/85/43/76/1064854376.db2.gz UMGRJBUXPXVKMC-LJQANCHMSA-N 0 0 459.365 4.867 20 0 JJADRN COC(=O)c1ccc(OCCNC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 ZINC001360040508 1064855257 /nfs/dbraw/zinc/85/52/57/1064855257.db2.gz RAGRSELIDKNTPR-QFIPXVFZSA-N 0 0 457.885 4.581 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)O[C@H](C)c3c(C)cccc3C)c2c1 ZINC001435589601 1064855174 /nfs/dbraw/zinc/85/51/74/1064855174.db2.gz SEKJPNUTRDZPDQ-QGZVFWFLSA-N 0 0 456.564 4.506 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001435590000 1064855847 /nfs/dbraw/zinc/85/58/47/1064855847.db2.gz ZIFUZMYUDABFKR-FZKQIMNGSA-N 0 0 454.361 4.689 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001360040546 1064855939 /nfs/dbraw/zinc/85/59/39/1064855939.db2.gz YURJYKCXJLMSQI-PKOBYXMFSA-N 0 0 490.446 4.668 20 0 JJADRN COc1cc(NC(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)ccc1S(=O)(=O)N(C)C ZINC001435590673 1064856125 /nfs/dbraw/zinc/85/61/25/1064856125.db2.gz DICNQNIIASYYGS-RBUKOAKNSA-N 0 0 450.988 4.511 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC001435591110 1064856681 /nfs/dbraw/zinc/85/66/81/1064856681.db2.gz FFWGSKIXVAERPQ-BLVKFPJESA-N 0 0 455.755 4.556 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2CCc2cccc(F)c2F)CC1 ZINC001360041760 1064857668 /nfs/dbraw/zinc/85/76/68/1064857668.db2.gz IEYXPMSSAVMVOK-UHFFFAOYSA-N 0 0 475.584 4.761 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(C3CCC3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001360042394 1064858290 /nfs/dbraw/zinc/85/82/90/1064858290.db2.gz UQLVPTRNJCQFBT-UHFFFAOYSA-N 0 0 471.621 4.967 20 0 JJADRN CCCc1c(C(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cnn1Cc1ccccc1 ZINC001435593010 1064859417 /nfs/dbraw/zinc/85/94/17/1064859417.db2.gz MQADQSIVSNOZNP-RSXGOPAZSA-N 0 0 456.594 4.582 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360042825 1064859493 /nfs/dbraw/zinc/85/94/93/1064859493.db2.gz BNEVVKZKJHMWMV-UNMCSNQZSA-N 0 0 471.621 4.749 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCS2)CC1 ZINC001360043112 1064859622 /nfs/dbraw/zinc/85/96/22/1064859622.db2.gz FOEUYGNIMFJSQL-QHCPKHFHSA-N 0 0 485.698 4.654 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)N2CC=C(c3ccc(OCC)cc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435594414 1064859876 /nfs/dbraw/zinc/85/98/76/1064859876.db2.gz NDZOFVOLIBGDJC-GOTSBHOMSA-N 0 0 452.551 4.965 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2CC2)CC1 ZINC001360043235 1064860194 /nfs/dbraw/zinc/86/01/94/1064860194.db2.gz DUVFUFFMPORHSX-UHFFFAOYSA-N 0 0 466.413 4.967 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)c(F)c1 ZINC001435595473 1064860712 /nfs/dbraw/zinc/86/07/12/1064860712.db2.gz ADQWLBOMDMHYGF-KRWDZBQOSA-N 0 0 456.688 4.616 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001360043775 1064860772 /nfs/dbraw/zinc/86/07/72/1064860772.db2.gz IPFHBRNLCPUDOF-WAIKUNEKSA-N 0 0 451.567 4.717 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001360043575 1064860855 /nfs/dbraw/zinc/86/08/55/1064860855.db2.gz JUDONQARQKZKIW-HKUYNNGSSA-N 0 0 495.546 4.599 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360044046 1064862024 /nfs/dbraw/zinc/86/20/24/1064862024.db2.gz RHAGPOXPXFSRAR-FYYLOGMGSA-N 0 0 477.694 4.623 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC2(C)C)CC1 ZINC001360044334 1064862798 /nfs/dbraw/zinc/86/27/98/1064862798.db2.gz VAAWGZURHNSGGK-HXUWFJFHSA-N 0 0 474.049 4.873 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(CC3CCCC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001360044300 1064862861 /nfs/dbraw/zinc/86/28/61/1064862861.db2.gz UKEYKWMPFBDPDP-LADGPHEKSA-N 0 0 489.705 4.911 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)OCc1cc(Br)cnc1OC ZINC001435598195 1064862751 /nfs/dbraw/zinc/86/27/51/1064862751.db2.gz QMUCSRFDBCZLSD-LBPRGKRZSA-N 0 0 457.162 4.927 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc(Cl)c(F)c1 ZINC001435598027 1064862984 /nfs/dbraw/zinc/86/29/84/1064862984.db2.gz RWBULPTVOZUHIA-AWEZNQCLSA-N 0 0 453.066 4.678 20 0 JJADRN CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCCCc2ccccc2)CC1 ZINC001360044453 1064863331 /nfs/dbraw/zinc/86/33/31/1064863331.db2.gz WERFRPQSOIKCGD-UHFFFAOYSA-N 0 0 490.652 4.592 20 0 JJADRN CC(C)c1nc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)nn1-c1ccccc1F ZINC001435599229 1064863673 /nfs/dbraw/zinc/86/36/73/1064863673.db2.gz GEWBOOQGGMOZKH-CQSZACIVSA-N 0 0 457.347 4.879 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(OC3CCCC3)cc2)CC1 ZINC001360044974 1064864273 /nfs/dbraw/zinc/86/42/73/1064864273.db2.gz ZTXHKASSELPTBM-UHFFFAOYSA-N 0 0 469.630 4.686 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)CC1 ZINC001360044910 1064864315 /nfs/dbraw/zinc/86/43/15/1064864315.db2.gz YBDWBLQFULUBIR-GOSISDBHSA-N 0 0 494.423 4.859 20 0 JJADRN CCn1c(NC(=O)c2cnc(SC)n2-c2ccccc2)nc2cc(Br)ccc21 ZINC001435600051 1064864337 /nfs/dbraw/zinc/86/43/37/1064864337.db2.gz DNAXZHAIXSCYOP-UHFFFAOYSA-N 0 0 456.369 4.979 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(F)c1 ZINC001435600496 1064864916 /nfs/dbraw/zinc/86/49/16/1064864916.db2.gz QAPIYTVSEXTXFN-CYBMUJFWSA-N 0 0 450.869 4.565 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)c(I)cc1Cl ZINC001360045587 1064864980 /nfs/dbraw/zinc/86/49/80/1064864980.db2.gz MWMGRNBKLSIECG-UHFFFAOYSA-N 0 0 454.739 4.652 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360046494 1064865782 /nfs/dbraw/zinc/86/57/82/1064865782.db2.gz DIKVOGVECYNRBP-CTNGQTDRSA-N 0 0 474.049 4.873 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360046625 1064866560 /nfs/dbraw/zinc/86/65/60/1064866560.db2.gz QJKXAUMXNAFIKJ-SFHVURJKSA-N 0 0 476.021 4.581 20 0 JJADRN O=C(NCCOc1ncccc1C(F)(F)F)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001435602762 1064866517 /nfs/dbraw/zinc/86/65/17/1064866517.db2.gz HZNZEKZPMSMKEE-SFHVURJKSA-N 0 0 459.871 4.615 20 0 JJADRN C[C@H]1CN(C(=O)c2cccn(C(C)(C)C)c2=O)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001435602263 1064866731 /nfs/dbraw/zinc/86/67/31/1064866731.db2.gz GBVGATWWOSJJDH-INIZCTEOSA-N 0 0 457.546 4.528 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccco2)CC1 ZINC001360046924 1064867056 /nfs/dbraw/zinc/86/70/56/1064867056.db2.gz MRHOKVSFDOITNU-UHFFFAOYSA-N 0 0 495.624 4.711 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001360047020 1064867116 /nfs/dbraw/zinc/86/71/16/1064867116.db2.gz WWOUVUJHMPPXOR-ROUUACIJSA-N 0 0 482.551 4.557 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCOc1ncccc1C(F)(F)F ZINC001435603216 1064867417 /nfs/dbraw/zinc/86/74/17/1064867417.db2.gz OLHDBXCSCPWJLD-LBPRGKRZSA-N 0 0 455.889 4.978 20 0 JJADRN Cc1cc(C(=O)NCC2(c3cccc(Br)c3)CCCC2)ccc1N1CCNC1=O ZINC001435603600 1064867492 /nfs/dbraw/zinc/86/74/92/1064867492.db2.gz HVHVDBXWRPSGNC-UHFFFAOYSA-N 0 0 456.384 4.529 20 0 JJADRN CC(C)COC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC001360047320 1064868041 /nfs/dbraw/zinc/86/80/41/1064868041.db2.gz UZHPKZUZKIRVQP-ZCYQVOJMSA-N 0 0 483.657 4.559 20 0 JJADRN O=C(NCCOc1ncccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC001435603768 1064868142 /nfs/dbraw/zinc/86/81/42/1064868142.db2.gz WGFUFTAMUHTQIU-UHFFFAOYSA-N 0 0 457.168 4.691 20 0 JJADRN CC(C)COc1ccc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC(N)=O)cc1 ZINC001360048245 1064868459 /nfs/dbraw/zinc/86/84/59/1064868459.db2.gz ARDPVLCWDADEHO-OALUTQOASA-N 0 0 495.693 4.915 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)n1 ZINC001360048332 1064868551 /nfs/dbraw/zinc/86/85/51/1064868551.db2.gz CBKLHVDVQSLMRP-AWEZNQCLSA-N 0 0 495.962 4.792 20 0 JJADRN CC(C)COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 ZINC001360048228 1064868607 /nfs/dbraw/zinc/86/86/07/1064868607.db2.gz AKZMNAFNCOILNT-UHFFFAOYSA-N 0 0 461.397 4.661 20 0 JJADRN C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435605938 1064868906 /nfs/dbraw/zinc/86/89/06/1064868906.db2.gz DPGPFAASCAZQCQ-FNZWTVRRSA-N 0 0 458.558 4.994 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)CCO3)n1 ZINC001360048584 1064869418 /nfs/dbraw/zinc/86/94/18/1064869418.db2.gz GGKIIGAKALCGND-GOSISDBHSA-N 0 0 482.629 4.506 20 0 JJADRN COc1ccc([C@H](CC(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)NC(C)=O)cc1 ZINC001435606606 1064869567 /nfs/dbraw/zinc/86/95/67/1064869567.db2.gz FPSBAPFNBPWUPN-UZEWVABRSA-N 0 0 456.586 4.868 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)n1 ZINC001360048781 1064869974 /nfs/dbraw/zinc/86/99/74/1064869974.db2.gz IUCWAKKGHAKPKY-MRXNPFEDSA-N 0 0 470.961 4.993 20 0 JJADRN CC(C)COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)cc1 ZINC001360048885 1064870005 /nfs/dbraw/zinc/87/00/05/1064870005.db2.gz JWKSLYJLUDUFRC-UHFFFAOYSA-N 0 0 462.598 4.635 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC001435607354 1064870129 /nfs/dbraw/zinc/87/01/29/1064870129.db2.gz CFSWLBQYWJSIBV-BTYIYWSLSA-N 0 0 453.457 4.649 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1cc(-c3ccc(Br)cc3)ns1)O[C@H](C)C2 ZINC001435607254 1064870334 /nfs/dbraw/zinc/87/03/34/1064870334.db2.gz INHPYBRCYJOAEX-GFCCVEGCSA-N 0 0 459.365 4.835 20 0 JJADRN C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435607986 1064870361 /nfs/dbraw/zinc/87/03/61/1064870361.db2.gz IPYOLVDBJIIGMI-BXKMTCNYSA-N 0 0 454.567 4.928 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 ZINC001435607188 1064870390 /nfs/dbraw/zinc/87/03/90/1064870390.db2.gz ACZDPWHJZDHJOH-BTYIYWSLSA-N 0 0 455.580 4.779 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)s1 ZINC001435607196 1064870405 /nfs/dbraw/zinc/87/04/05/1064870405.db2.gz ACZDPWHJZDHJOH-YCRPNKLZSA-N 0 0 455.580 4.779 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC001435608549 1064871744 /nfs/dbraw/zinc/87/17/44/1064871744.db2.gz GNACVCBUEUSEEC-FLIBITNWSA-N 0 0 454.910 4.881 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)n1 ZINC001360049459 1064872140 /nfs/dbraw/zinc/87/21/40/1064872140.db2.gz SEEDMSXJZLVYFZ-XLIONFOSSA-N 0 0 489.020 4.921 20 0 JJADRN C[C@H](NC(=O)c1cc(Cl)ncc1Br)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608990 1064872363 /nfs/dbraw/zinc/87/23/63/1064872363.db2.gz IWMVVDAEEKMTLL-ORAYPTAESA-N 0 0 453.764 4.553 20 0 JJADRN C[C@H](NC(=O)c1cc(Cl)ncc1Br)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435608988 1064872384 /nfs/dbraw/zinc/87/23/84/1064872384.db2.gz IWMVVDAEEKMTLL-DJJJIMSYSA-N 0 0 453.764 4.553 20 0 JJADRN COc1cc2c(cc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)O[C@@H](C)C2 ZINC001435608812 1064872473 /nfs/dbraw/zinc/87/24/73/1064872473.db2.gz MSVKXLGRJOMBEM-NWDGAFQWSA-N 0 0 454.748 4.518 20 0 JJADRN 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MKZSIZLPWYPPHU-RUZDIDTESA-N 0 0 497.684 4.686 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3nccs3)C2)c1 ZINC001360052708 1064881303 /nfs/dbraw/zinc/88/13/03/1064881303.db2.gz PJZCZQYALYEXBW-OAQYLSRUSA-N 0 0 455.628 4.594 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360052797 1064881506 /nfs/dbraw/zinc/88/15/06/1064881506.db2.gz QTFFVMHFKBMFQV-QHCPKHFHSA-N 0 0 490.652 4.554 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001435620237 1064881954 /nfs/dbraw/zinc/88/19/54/1064881954.db2.gz JGCGVQFMAOOJOK-UHFFFAOYSA-N 0 0 452.186 4.703 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC001360053673 1064881960 /nfs/dbraw/zinc/88/19/60/1064881960.db2.gz GEAOPWUDWWHZKH-XMMPIXPASA-N 0 0 458.624 4.695 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001435620174 1064882130 /nfs/dbraw/zinc/88/21/30/1064882130.db2.gz IRVGFUCLFPTEBM-UHFFFAOYSA-N 0 0 457.378 4.624 20 0 JJADRN CC(C)COc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001360053505 1064882017 /nfs/dbraw/zinc/88/20/17/1064882017.db2.gz AOKIOMDXYSELTL-HSZRJFAPSA-N 0 0 495.693 4.755 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001360054326 1064882726 /nfs/dbraw/zinc/88/27/26/1064882726.db2.gz JIZOEZDQAMFFBO-QFIPXVFZSA-N 0 0 458.647 4.580 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360054339 1064882798 /nfs/dbraw/zinc/88/27/98/1064882798.db2.gz JPXSQIRULAQULQ-VQTJNVASSA-N 0 0 481.666 4.835 20 0 JJADRN CC(C)COc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360053819 1064882856 /nfs/dbraw/zinc/88/28/56/1064882856.db2.gz FRRAPEGLOFOLAD-UXHICEINSA-N 0 0 451.640 4.677 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)[C@H](NC(=O)Cc1ccc3ccccc3c1)C(C)C)C2 ZINC001435621552 1064883472 /nfs/dbraw/zinc/88/34/72/1064883472.db2.gz NSGYEKHKJFSXGL-MUUNZHRXSA-N 0 0 458.602 4.897 20 0 JJADRN COc1cccc(C2(CNC(=O)c3ccc(F)c(I)c3)CCCC2)c1 ZINC001360054498 1064883478 /nfs/dbraw/zinc/88/34/78/1064883478.db2.gz NKJZUULXRNTGCC-UHFFFAOYSA-N 0 0 453.295 4.681 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC001435622593 1064884038 /nfs/dbraw/zinc/88/40/38/1064884038.db2.gz WNEMPINZMSUQJL-UHFFFAOYSA-N 0 0 459.468 4.591 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001435622199 1064884083 /nfs/dbraw/zinc/88/40/83/1064884083.db2.gz PUNNDKXYOBNAPG-UHFFFAOYSA-N 0 0 455.227 4.781 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1Cl ZINC001435623049 1064884308 /nfs/dbraw/zinc/88/43/08/1064884308.db2.gz WUTIPDVMBRIAHA-UHFFFAOYSA-N 0 0 451.626 4.864 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C ZINC001360055101 1064884788 /nfs/dbraw/zinc/88/47/88/1064884788.db2.gz PZSFBFNOOLURDE-UHFFFAOYSA-N 0 0 488.698 4.596 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC001360055413 1064884812 /nfs/dbraw/zinc/88/48/12/1064884812.db2.gz WXHXDUOUVZJYDP-HNNXBMFYSA-N 0 0 458.580 4.531 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1ccc(C)c(Br)c1 ZINC001435623793 1064884870 /nfs/dbraw/zinc/88/48/70/1064884870.db2.gz CWXRSAJKDSWJDM-UZUQRXQVSA-N 0 0 458.444 4.763 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)c1 ZINC001360055760 1064885645 /nfs/dbraw/zinc/88/56/45/1064885645.db2.gz WBEAEGQVVUCJDG-UHFFFAOYSA-N 0 0 453.296 4.657 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001360055719 1064885660 /nfs/dbraw/zinc/88/56/60/1064885660.db2.gz VHBXMXGUHHEIKE-WOJBJXKFSA-N 0 0 481.666 4.978 20 0 JJADRN CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001360055517 1064885673 /nfs/dbraw/zinc/88/56/73/1064885673.db2.gz SRAPYRDKJYGSLA-JOCHJYFZSA-N 0 0 452.599 4.592 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC001435624789 1064886280 /nfs/dbraw/zinc/88/62/80/1064886280.db2.gz NDJMJEUCFLTKHK-UHFFFAOYSA-N 0 0 454.777 4.845 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC001435624882 1064886369 /nfs/dbraw/zinc/88/63/69/1064886369.db2.gz FPAUHYZBAZSCSW-UHFFFAOYSA-N 0 0 450.427 4.915 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(F)(F)F ZINC001360056468 1064887636 /nfs/dbraw/zinc/88/76/36/1064887636.db2.gz FDCDJUAXILBAMH-PBHICJAKSA-N 0 0 458.477 4.770 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626929 1064888712 /nfs/dbraw/zinc/88/87/12/1064888712.db2.gz VWMNQSIPJLPTNP-RDTXWAMCSA-N 0 0 450.446 4.895 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626924 1064888898 /nfs/dbraw/zinc/88/88/98/1064888898.db2.gz VWMNQSIPJLPTNP-KDOFPFPSSA-N 0 0 450.446 4.895 20 0 JJADRN CC(C)c1noc(-c2ccc(NC(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)cc2)n1 ZINC001360056818 1064889497 /nfs/dbraw/zinc/88/94/97/1064889497.db2.gz JIPKQXYXQUDZSW-MSOLQXFVSA-N 0 0 457.328 4.734 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCOC2)C1 ZINC001360056884 1064889528 /nfs/dbraw/zinc/88/95/28/1064889528.db2.gz GLIFOSUSYLNEMD-WBVHZDCISA-N 0 0 483.838 4.649 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccco2)C1 ZINC001360056989 1064889541 /nfs/dbraw/zinc/88/95/41/1064889541.db2.gz HXNRTCJBUNDCMF-JOCHJYFZSA-N 0 0 479.625 4.517 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC001435627499 1064889702 /nfs/dbraw/zinc/88/97/02/1064889702.db2.gz ZTIALKHNOGUCGQ-DYESRHJHSA-N 0 0 453.656 4.834 20 0 JJADRN COc1ccc([C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c2ccccc2OC)cc1 ZINC001435627918 1064889760 /nfs/dbraw/zinc/88/97/60/1064889760.db2.gz YNOWJSGUJMBOOD-QHCPKHFHSA-N 0 0 456.583 4.993 20 0 JJADRN CCCCSCC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001360057091 1064890200 /nfs/dbraw/zinc/89/02/00/1064890200.db2.gz LUEMQYXTITUXOA-IBGZPJMESA-N 0 0 450.601 4.715 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)Cc1ccccc1I ZINC001435629407 1064890372 /nfs/dbraw/zinc/89/03/72/1064890372.db2.gz NITDMUUKAUBPBR-LBPRGKRZSA-N 0 0 458.137 4.816 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)C1 ZINC001360057432 1064890969 /nfs/dbraw/zinc/89/09/69/1064890969.db2.gz LDOTWPOKBNTOMC-FUHWJXTLSA-N 0 0 453.414 4.930 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001360057671 1064890978 /nfs/dbraw/zinc/89/09/78/1064890978.db2.gz MLTGMZKBERDEIH-IBGZPJMESA-N 0 0 477.943 4.895 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)s1 ZINC001435629959 1064891223 /nfs/dbraw/zinc/89/12/23/1064891223.db2.gz VQJLTKVOFYZEOG-UHFFFAOYSA-N 0 0 457.364 4.635 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001360057730 1064891710 /nfs/dbraw/zinc/89/17/10/1064891710.db2.gz NEJLWYJGCOHFDQ-CEMLEFRQSA-N 0 0 478.584 4.859 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001360057732 1064891733 /nfs/dbraw/zinc/89/17/33/1064891733.db2.gz NEJLWYJGCOHFDQ-KSEOMHKRSA-N 0 0 478.584 4.859 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(F)c(F)c2)C1 ZINC001360058011 1064892554 /nfs/dbraw/zinc/89/25/54/1064892554.db2.gz OVUHXQUBAXSTBM-GOSISDBHSA-N 0 0 461.944 4.766 20 0 JJADRN COCC1(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC001435632586 1064893408 /nfs/dbraw/zinc/89/34/08/1064893408.db2.gz POAAQSVDPLNOLE-UHFFFAOYSA-N 0 0 450.623 4.534 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)CCSc1ccc2c(c1)OCCO2 ZINC001360058404 1064893739 /nfs/dbraw/zinc/89/37/39/1064893739.db2.gz ZOEXVULQWBRGFA-UHFFFAOYSA-N 0 0 456.539 4.825 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001360058496 1064894542 /nfs/dbraw/zinc/89/45/42/1064894542.db2.gz SBKOWXHMHUMSOG-HOCLYGCPSA-N 0 0 472.378 4.722 20 0 JJADRN CCC(C)(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc1 ZINC001435633520 1064895022 /nfs/dbraw/zinc/89/50/22/1064895022.db2.gz XQJGGZCWMAZGMH-NRFANRHFSA-N 0 0 457.412 4.944 20 0 JJADRN CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccc(F)cc2O1 ZINC001435634325 1064895851 /nfs/dbraw/zinc/89/58/51/1064895851.db2.gz IHVSKOQSDAUHEX-SGTLLEGYSA-N 0 0 451.325 4.904 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360058877 1064896910 /nfs/dbraw/zinc/89/69/10/1064896910.db2.gz XQMPITJTVVHZAZ-YLJYHZDGSA-N 0 0 478.037 4.763 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)C1 ZINC001360058912 1064897669 /nfs/dbraw/zinc/89/76/69/1064897669.db2.gz YNAQHKNQYRLKNV-WNCULLNHSA-N 0 0 488.648 4.687 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC001360059348 1064897715 /nfs/dbraw/zinc/89/77/15/1064897715.db2.gz GHCBOHYIJZLIAN-FQEVSTJZSA-N 0 0 477.531 4.652 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC001435636909 1064897997 /nfs/dbraw/zinc/89/79/97/1064897997.db2.gz WURUKBMMJXSOSJ-SANMLTNESA-N 0 0 458.562 4.784 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001360059614 1064898214 /nfs/dbraw/zinc/89/82/14/1064898214.db2.gz CLFBUNZTDCPGHF-LLVKDONJSA-N 0 0 452.935 4.616 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[C@@H]2CCCCO2)C1 ZINC001360059488 1064898256 /nfs/dbraw/zinc/89/82/56/1064898256.db2.gz HNVXBFWYJIFWAW-OALUTQOASA-N 0 0 477.447 4.918 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001360059616 1064898293 /nfs/dbraw/zinc/89/82/93/1064898293.db2.gz CLFBUNZTDCPGHF-NSHDSACASA-N 0 0 452.935 4.616 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC001435636908 1064898279 /nfs/dbraw/zinc/89/82/79/1064898279.db2.gz WURUKBMMJXSOSJ-AREMUKBSSA-N 0 0 458.562 4.784 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001435637401 1064898887 /nfs/dbraw/zinc/89/88/87/1064898887.db2.gz UQTOCYXIXRGVPN-UHFFFAOYSA-N 0 0 457.895 4.633 20 0 JJADRN COCCOc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)ccn1 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LLTRCQCCDRYJJV-LLVKDONJSA-N 0 0 450.310 4.799 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc2cc(Br)cnc2n1C ZINC001360061318 1064900531 /nfs/dbraw/zinc/90/05/31/1064900531.db2.gz XOBJLTJSDAPKQX-UHFFFAOYSA-N 0 0 450.358 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCCOc2ccccc2Cl)C1 ZINC001435640567 1064900815 /nfs/dbraw/zinc/90/08/15/1064900815.db2.gz VJKSDSXNYPOPRM-WOJBJXKFSA-N 0 0 458.986 4.561 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2Br)c(Cl)c1 ZINC001435640328 1064900822 /nfs/dbraw/zinc/90/08/22/1064900822.db2.gz RJKMHIIPOBMWNI-UHFFFAOYSA-N 0 0 451.626 4.613 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2cccc3oc(C(F)(F)F)nc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435640092 1064900909 /nfs/dbraw/zinc/90/09/09/1064900909.db2.gz PWXGKYSAEUIRCA-QGHHPUGFSA-N 0 0 455.795 4.797 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001360061708 1064901274 /nfs/dbraw/zinc/90/12/74/1064901274.db2.gz AOSNUPUCJDCFJA-APWZRJJASA-N 0 0 484.975 4.727 20 0 JJADRN COc1cccc(Br)c1OC(=O)COc1ccc(Cl)cc1Br ZINC001435640956 1064901255 /nfs/dbraw/zinc/90/12/55/1064901255.db2.gz ROSDPPDZLJKFKA-UHFFFAOYSA-N 0 0 450.510 4.858 20 0 JJADRN CCC1(CC)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)C[C@@H]1OC ZINC001435641688 1064902556 /nfs/dbraw/zinc/90/25/56/1064902556.db2.gz FPHXJOWEYHEKCM-FGTMMUONSA-N 0 0 458.521 4.981 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001360062765 1064903063 /nfs/dbraw/zinc/90/30/63/1064903063.db2.gz LSYNWVFGKWCGIS-NRFANRHFSA-N 0 0 450.362 4.928 20 0 JJADRN Cn1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(-c2ccc(Cl)s2)n1 ZINC001435642803 1064903326 /nfs/dbraw/zinc/90/33/26/1064903326.db2.gz JDMPLQQZFUMVPX-UHFFFAOYSA-N 0 0 454.905 4.783 20 0 JJADRN Cc1ccc2c(CC(=O)N3CCN(Cc4ccc(Br)c(F)c4)CC3)coc2c1C ZINC001435643169 1064903397 /nfs/dbraw/zinc/90/33/97/1064903397.db2.gz JKFCGHILQDIORV-UHFFFAOYSA-N 0 0 459.359 4.838 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001360063118 1064903634 /nfs/dbraw/zinc/90/36/34/1064903634.db2.gz NZGMYSQHYYJVCJ-RBBKRZOGSA-N 0 0 475.678 4.834 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nc(C(C)C)cs2)C1 ZINC001360063210 1064903664 /nfs/dbraw/zinc/90/36/64/1064903664.db2.gz OGCNJAUMOPQRBQ-FQEVSTJZSA-N 0 0 457.619 4.888 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc2cc(OC)ccc2nc1Cl)C1CC1 ZINC001360063198 1064903702 /nfs/dbraw/zinc/90/37/02/1064903702.db2.gz PAKOVTFGEYXKIR-JOCHJYFZSA-N 0 0 452.938 4.676 20 0 JJADRN C/C(=C\c1ccccc1Cl)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001435643498 1064903899 /nfs/dbraw/zinc/90/38/99/1064903899.db2.gz KPDYJVQKXHHCBQ-NTCAYCPXSA-N 0 0 451.767 4.989 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OC3CCCCC3)c2)C1 ZINC001360063865 1064903998 /nfs/dbraw/zinc/90/39/98/1064903998.db2.gz SLGMSDCQASKOPE-QHCPKHFHSA-N 0 0 455.647 4.883 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1csc(Cc2cccc(F)c2)n1)C1CC1 ZINC001360063803 1064904066 /nfs/dbraw/zinc/90/40/66/1064904066.db2.gz VHYHXNLAFWPBBT-JOCHJYFZSA-N 0 0 452.551 4.652 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCCC3)nc2)C1 ZINC001360063577 1064904182 /nfs/dbraw/zinc/90/41/82/1064904182.db2.gz QTIQAWWDHOTBMH-HSZRJFAPSA-N 0 0 454.663 4.552 20 0 JJADRN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(I)ccc1F ZINC001435645244 1064904498 /nfs/dbraw/zinc/90/44/98/1064904498.db2.gz XYRBMRREDSROPS-ZDUSSCGKSA-N 0 0 459.127 4.742 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001360063940 1064904710 /nfs/dbraw/zinc/90/47/10/1064904710.db2.gz WQFUTNLYRGURBI-JWQCQUIFSA-N 0 0 456.652 4.864 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1sc(C(C)(C)C)nc1C)c1cccc(Br)c1 ZINC001435646595 1064905055 /nfs/dbraw/zinc/90/50/55/1064905055.db2.gz KWISKFZAUNNGPS-OAHLLOKOSA-N 0 0 453.402 4.936 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001435646833 1064905067 /nfs/dbraw/zinc/90/50/67/1064905067.db2.gz DYUOUYIYPJAPSJ-YXUGBTPSSA-N 0 0 457.398 4.913 20 0 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CCOC(=O)[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)c1ccc(OC)c(Br)c1 ZINC001435687232 1064934089 /nfs/dbraw/zinc/93/40/89/1064934089.db2.gz QDASTLKGVIJUJE-SFHVURJKSA-N 0 0 452.345 4.691 20 0 JJADRN CC[C@H](C)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC001435686897 1064934162 /nfs/dbraw/zinc/93/41/62/1064934162.db2.gz OTVLKFQKDCOZQQ-INIZCTEOSA-N 0 0 451.535 4.622 20 0 JJADRN CCc1nc(C(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)nn1-c1ccccc1F ZINC001435688395 1064934498 /nfs/dbraw/zinc/93/44/98/1064934498.db2.gz KQWHFDDCNIUXRO-GOSISDBHSA-N 0 0 458.541 4.838 20 0 JJADRN CC(C)CSCCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001360079914 1064935103 /nfs/dbraw/zinc/93/51/03/1064935103.db2.gz QUVZPHOOHDGRQD-UHFFFAOYSA-N 0 0 457.688 4.822 20 0 JJADRN CC(C)CSCCCn1c(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C ZINC001360079946 1064935355 /nfs/dbraw/zinc/93/53/55/1064935355.db2.gz RGJBTBJKPCREMU-IBGZPJMESA-N 0 0 477.723 4.745 20 0 JJADRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001435689530 1064935402 /nfs/dbraw/zinc/93/54/02/1064935402.db2.gz PLYGDDREZFWILR-AEFFLSMTSA-N 0 0 458.402 4.977 20 0 JJADRN CC(C)CSCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001360079997 1064935988 /nfs/dbraw/zinc/93/59/88/1064935988.db2.gz SGFFUXXEUXWMAM-HSZRJFAPSA-N 0 0 469.630 4.760 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cnc12 ZINC001435689922 1064935997 /nfs/dbraw/zinc/93/59/97/1064935997.db2.gz UZXIPMHSFVJUIS-SFHVURJKSA-N 0 0 457.374 4.534 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CO)CC1 ZINC001360080142 1064936444 /nfs/dbraw/zinc/93/64/44/1064936444.db2.gz BIMNOXACRIEJOQ-KRWDZBQOSA-N 0 0 453.052 4.669 20 0 JJADRN CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001360080044 1064936605 /nfs/dbraw/zinc/93/66/05/1064936605.db2.gz TWASWKVROHLBSC-PIXQIBFHSA-N 0 0 494.746 4.750 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1 ZINC001360080104 1064936761 /nfs/dbraw/zinc/93/67/61/1064936761.db2.gz AKESVPIEUMCPQG-AWEZNQCLSA-N 0 0 459.479 4.774 20 0 JJADRN CC(C)CSCCCn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360080172 1064937182 /nfs/dbraw/zinc/93/71/82/1064937182.db2.gz WPDNPNROWGIHTK-UHFFFAOYSA-N 0 0 487.611 4.862 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360080389 1064937765 /nfs/dbraw/zinc/93/77/65/1064937765.db2.gz GOZUVZXITPCAOP-INIZCTEOSA-N 0 0 490.567 4.840 20 0 JJADRN CC(C)CSCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001360080247 1064937801 /nfs/dbraw/zinc/93/78/01/1064937801.db2.gz XFUYDAJFQVFCQC-DENIHFKCSA-N 0 0 461.651 4.763 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001360080502 1064938376 /nfs/dbraw/zinc/93/83/76/1064938376.db2.gz IYXDOJIPFFOFCF-OXQOHEQNSA-N 0 0 466.598 4.939 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001360080501 1064938402 /nfs/dbraw/zinc/93/84/02/1064938402.db2.gz IYXDOJIPFFOFCF-OXJNMPFZSA-N 0 0 466.598 4.939 20 0 JJADRN COc1cc(I)ccc1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001435691837 1064938421 /nfs/dbraw/zinc/93/84/21/1064938421.db2.gz WOSODYPRRUCVMR-QGZVFWFLSA-N 0 0 451.279 4.805 20 0 JJADRN CC(C)CSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360080445 1064938442 /nfs/dbraw/zinc/93/84/42/1064938442.db2.gz ICGBFLDJOLPRFW-CNNODRBYSA-N 0 0 462.635 4.952 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC001435691840 1064938492 /nfs/dbraw/zinc/93/84/92/1064938492.db2.gz NRVFVXXQKBKCNI-PSLIRLAXSA-N 0 0 458.328 4.841 20 0 JJADRN COc1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)F)cc(OC)c1Br ZINC001435691914 1064938531 /nfs/dbraw/zinc/93/85/31/1064938531.db2.gz XIWURDCPYILKMZ-UHFFFAOYSA-N 0 0 452.255 4.842 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1cc(Br)ccc1C ZINC001435692541 1064938861 /nfs/dbraw/zinc/93/88/61/1064938861.db2.gz SDUOUBOJWIZMAH-BFUOFWGJSA-N 0 0 455.190 4.955 20 0 JJADRN CC(C)CSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360080647 1064938921 /nfs/dbraw/zinc/93/89/21/1064938921.db2.gz NKGIULFJMCOEIT-UHFFFAOYSA-N 0 0 469.655 4.775 20 0 JJADRN CCOc1cc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc(OCC)c1OCC ZINC001435692957 1064939323 /nfs/dbraw/zinc/93/93/23/1064939323.db2.gz LLSVLXNHPWWMLB-UHFFFAOYSA-N 0 0 453.535 4.583 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001360080827 1064939416 /nfs/dbraw/zinc/93/94/16/1064939416.db2.gz SJOBXXCAPBFNSF-GOSISDBHSA-N 0 0 466.717 4.501 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCC2)C1 ZINC001360080969 1064939619 /nfs/dbraw/zinc/93/96/19/1064939619.db2.gz XCWNHMRIFCUONP-UHFFFAOYSA-N 0 0 471.490 4.918 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)c2nnn(-c3ccccc3)c2C(F)F)cc1Cl ZINC001435693310 1064940136 /nfs/dbraw/zinc/94/01/36/1064940136.db2.gz NEKKLBAGPCSNBI-UHFFFAOYSA-N 0 0 457.264 4.789 20 0 JJADRN C[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC001360081290 1064940895 /nfs/dbraw/zinc/94/08/95/1064940895.db2.gz ABRXALPRMNVBCQ-KZULUSFZSA-N 0 0 457.349 4.532 20 0 JJADRN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2c(F)ccc3ccncc32)CC1 ZINC001360081255 1064940945 /nfs/dbraw/zinc/94/09/45/1064940945.db2.gz GIEWBEIOVNYSDE-UHFFFAOYSA-N 0 0 456.315 4.627 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001360081212 1064940962 /nfs/dbraw/zinc/94/09/62/1064940962.db2.gz FELQHKBVHSUNCV-UZLBHIALSA-N 0 0 451.405 4.612 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC001360081405 1064941027 /nfs/dbraw/zinc/94/10/27/1064941027.db2.gz CFXQUOCXGVFNPI-UHFFFAOYSA-N 0 0 454.552 4.890 20 0 JJADRN Cc1cc(F)c(NC(=O)CCOc2ccc(Cl)c(F)c2)c(I)c1 ZINC001435694782 1064941548 /nfs/dbraw/zinc/94/15/48/1064941548.db2.gz YMOHWFRFXUBJFQ-UHFFFAOYSA-N 0 0 451.638 4.939 20 0 JJADRN O=C(c1csc(I)n1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001360082225 1064941668 /nfs/dbraw/zinc/94/16/68/1064941668.db2.gz SFQZDRFNFFSADP-UHFFFAOYSA-N 0 0 456.255 4.873 20 0 JJADRN CC(C)CSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001360082480 1064942203 /nfs/dbraw/zinc/94/22/03/1064942203.db2.gz CBAPDZQVYXFIDK-IBGZPJMESA-N 0 0 455.632 4.620 20 0 JJADRN CC(C)CSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360082556 1064942270 /nfs/dbraw/zinc/94/22/70/1064942270.db2.gz FKMXFDMCHIBEIC-UHFFFAOYSA-N 0 0 460.003 4.748 20 0 JJADRN Cc1nnc(N(CCC(C)C)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c2ccccc12 ZINC001435696165 1064942911 /nfs/dbraw/zinc/94/29/11/1064942911.db2.gz BMBNEJSQBGDPHK-NRFANRHFSA-N 0 0 453.631 4.785 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001435697168 1064943420 /nfs/dbraw/zinc/94/34/20/1064943420.db2.gz OPUPBOBMSZNOCT-HXOBKFHXSA-N 0 0 455.549 4.893 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001360082874 1064943591 /nfs/dbraw/zinc/94/35/91/1064943591.db2.gz ORUYGAWPFPUBEZ-CABCVRRESA-N 0 0 493.526 4.899 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[nH]c(=O)n1 ZINC001435698127 1064943875 /nfs/dbraw/zinc/94/38/75/1064943875.db2.gz UXONLMKLUWIZMI-SZVBFZGTSA-N 0 0 457.596 4.839 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)c1 ZINC001435697340 1064943919 /nfs/dbraw/zinc/94/39/19/1064943919.db2.gz KAEXZIWBJCVHKS-UHFFFAOYSA-N 0 0 455.518 4.843 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001360083012 1064943982 /nfs/dbraw/zinc/94/39/82/1064943982.db2.gz SZYBYLHFCJDSPD-QHCPKHFHSA-N 0 0 465.063 4.762 20 0 JJADRN COc1cc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc(OC)c1C(C)C ZINC001435698273 1064944549 /nfs/dbraw/zinc/94/45/49/1064944549.db2.gz UZBRAZBGWQJACQ-UHFFFAOYSA-N 0 0 457.527 4.856 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001435698692 1064944646 /nfs/dbraw/zinc/94/46/46/1064944646.db2.gz DLOOGBYQCUYMOH-TZYHBYERSA-N 0 0 450.579 4.876 20 0 JJADRN CC(C)CSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360083330 1064944589 /nfs/dbraw/zinc/94/45/89/1064944589.db2.gz DIWPYCUNIUDLCH-UHFFFAOYSA-N 0 0 469.478 4.528 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001360083233 1064944710 /nfs/dbraw/zinc/94/47/10/1064944710.db2.gz ARPWUVARBJJOHB-RTBURBONSA-N 0 0 468.671 4.596 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001435698693 1064944724 /nfs/dbraw/zinc/94/47/24/1064944724.db2.gz DLOOGBYQCUYMOH-YFXJRYMSSA-N 0 0 450.579 4.876 20 0 JJADRN COc1ccc(CN(C(=O)CCCNC(=O)c2ccsc2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001435699030 1064945059 /nfs/dbraw/zinc/94/50/59/1064945059.db2.gz HHWYGFGYQMGGTF-WIYYLYMNSA-N 0 0 458.624 4.883 20 0 JJADRN CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360083356 1064945305 /nfs/dbraw/zinc/94/53/05/1064945305.db2.gz DSGLETTUPYKQOO-OXQOHEQNSA-N 0 0 481.588 4.982 20 0 JJADRN CCn1c2cc(F)ccc2nc1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001435699615 1064945687 /nfs/dbraw/zinc/94/56/87/1064945687.db2.gz OASZPRKBPUISKV-UHFFFAOYSA-N 0 0 455.125 4.902 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001360083877 1064945924 /nfs/dbraw/zinc/94/59/24/1064945924.db2.gz URRKFWCTVAIXDS-HSZRJFAPSA-N 0 0 485.698 4.650 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001360084272 1064946629 /nfs/dbraw/zinc/94/66/29/1064946629.db2.gz JALIAQOZDPORAC-NRFANRHFSA-N 0 0 450.025 4.987 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC001360085384 1064946995 /nfs/dbraw/zinc/94/69/95/1064946995.db2.gz YEDBGKCCVFHIJG-XMMPIXPASA-N 0 0 451.567 4.802 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001360084877 1064947194 /nfs/dbraw/zinc/94/71/94/1064947194.db2.gz TZWZUCQZBQPNNZ-UHFFFAOYSA-N 0 0 456.514 4.596 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(OCC(C)C)c1 ZINC001435703302 1064947363 /nfs/dbraw/zinc/94/73/63/1064947363.db2.gz VCNAMTHLDYAKBK-LJQANCHMSA-N 0 0 451.350 4.572 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 ZINC001360085462 1064947688 /nfs/dbraw/zinc/94/76/88/1064947688.db2.gz AXLFEMOXQGLBGK-NRFANRHFSA-N 0 0 464.079 4.889 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)co1 ZINC001435703310 1064947874 /nfs/dbraw/zinc/94/78/74/1064947874.db2.gz VCVJCGOFBJYBJI-ZKKXHLJNSA-N 0 0 451.350 4.950 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001435705979 1064948406 /nfs/dbraw/zinc/94/84/06/1064948406.db2.gz RVFHZSZLOUIZOS-FQEVSTJZSA-N 0 0 451.466 4.547 20 0 JJADRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1nnn(-c2ccccc2Br)c1C ZINC001435705069 1064948423 /nfs/dbraw/zinc/94/84/23/1064948423.db2.gz QPDZWXVXAHDPKE-UHFFFAOYSA-N 0 0 459.735 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)C1 ZINC001435706742 1064949045 /nfs/dbraw/zinc/94/90/45/1064949045.db2.gz HRVAFUQVHUSFMJ-HZPDHXFCSA-N 0 0 450.448 4.559 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001360086063 1064949268 /nfs/dbraw/zinc/94/92/68/1064949268.db2.gz OXKBAZZBYUQVFF-QUCCMNQESA-N 0 0 495.487 4.512 20 0 JJADRN CC(C)CSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360086054 1064949351 /nfs/dbraw/zinc/94/93/51/1064949351.db2.gz ORVFSXVHHPNHQT-OAQYLSRUSA-N 0 0 475.678 4.528 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001360086062 1064949440 /nfs/dbraw/zinc/94/94/40/1064949440.db2.gz OXKBAZZBYUQVFF-ICSRJNTNSA-N 0 0 495.487 4.512 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 ZINC001360086094 1064949452 /nfs/dbraw/zinc/94/94/52/1064949452.db2.gz PQPWEQHKOAQDRY-MOPGFXCFSA-N 0 0 451.681 4.628 20 0 JJADRN Cc1nnc(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)s1 ZINC001435708903 1064949558 /nfs/dbraw/zinc/94/95/58/1064949558.db2.gz ZIUDTWCISROISI-UHFFFAOYSA-N 0 0 455.337 4.819 20 0 JJADRN CC(C)CSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360086231 1064949811 /nfs/dbraw/zinc/94/98/11/1064949811.db2.gz UAZYQADIIRXYEE-OAQYLSRUSA-N 0 0 469.703 4.634 20 0 JJADRN CC(C)CSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001360086317 1064949955 /nfs/dbraw/zinc/94/99/55/1064949955.db2.gz VXLNZJSISGCFNP-UHFFFAOYSA-N 0 0 491.677 4.920 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001360086456 1064950346 /nfs/dbraw/zinc/95/03/46/1064950346.db2.gz ZCQZUFMNMOUCCC-SFTDATJTSA-N 0 0 466.598 4.765 20 0 JJADRN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001360086455 1064950568 /nfs/dbraw/zinc/95/05/68/1064950568.db2.gz ZCQZUFMNMOUCCC-RTWAWAEBSA-N 0 0 466.598 4.765 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001360086434 1064950591 /nfs/dbraw/zinc/95/05/91/1064950591.db2.gz YHVYPXICXYFUTA-VAMGGRTRSA-N 0 0 465.708 4.874 20 0 JJADRN CC(C)CSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001360086529 1064950618 /nfs/dbraw/zinc/95/06/18/1064950618.db2.gz AKCQOEGWTSTBGM-PMACEKPBSA-N 0 0 494.130 4.860 20 0 JJADRN COc1ccc(C(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)c(OC(C)C)c1 ZINC001435710872 1064950767 /nfs/dbraw/zinc/95/07/67/1064950767.db2.gz LBPADMFSHQQMJL-QGZVFWFLSA-N 0 0 455.555 4.512 20 0 JJADRN Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)nn1-c1nc(C)cc(C)n1 ZINC001435710818 1064950839 /nfs/dbraw/zinc/95/08/39/1064950839.db2.gz TZDCTAYZENZACU-UHFFFAOYSA-N 0 0 450.395 4.558 20 0 JJADRN CC(C)CSCCn1c(Cc2ccsc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360086915 1064950849 /nfs/dbraw/zinc/95/08/49/1064950849.db2.gz IQLMIKPQYVYBNA-UHFFFAOYSA-N 0 0 472.606 4.708 20 0 JJADRN CC(C)CSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001360087183 1064951285 /nfs/dbraw/zinc/95/12/85/1064951285.db2.gz OAAGETXYVPERGN-GOSISDBHSA-N 0 0 461.701 4.675 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001435713847 1064951827 /nfs/dbraw/zinc/95/18/27/1064951827.db2.gz IUOHSYVZFFDYNL-KPLVRAHFSA-N 0 0 451.567 4.605 20 0 JJADRN CCCCCn1nc(C(=O)Oc2cc(Cl)cnc2Br)c2ccccc2c1=O ZINC001435714148 1064951855 /nfs/dbraw/zinc/95/18/55/1064951855.db2.gz UIHKVNMNCZAAPX-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3ccc(-c4ccc(Cl)cc4)s3)ccc2c1=O ZINC001435713069 1064952087 /nfs/dbraw/zinc/95/20/87/1064952087.db2.gz ZYSHLXPMBWRLNO-ZDUSSCGKSA-N 0 0 453.951 4.995 20 0 JJADRN CC(C)CSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001360087569 1064952616 /nfs/dbraw/zinc/95/26/16/1064952616.db2.gz VBYPIJDZRSVNMX-OAQYLSRUSA-N 0 0 475.062 4.975 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3OC(C)C)c2)cc1 ZINC001435717336 1064953612 /nfs/dbraw/zinc/95/36/12/1064953612.db2.gz IUWKOQYUYXIAPM-UHFFFAOYSA-N 0 0 456.539 4.999 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2ncc3c(F)cccn32)C1 ZINC001360088255 1064953781 /nfs/dbraw/zinc/95/37/81/1064953781.db2.gz GCRPYGNDUSKDIK-IBGZPJMESA-N 0 0 452.530 4.515 20 0 JJADRN CCn1nc(C2CC2)cc1C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360088569 1064954229 /nfs/dbraw/zinc/95/42/29/1064954229.db2.gz RPEACXMXYDGHEB-OAQYLSRUSA-N 0 0 452.599 4.822 20 0 JJADRN Cc1cc(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435720226 1064954516 /nfs/dbraw/zinc/95/45/16/1064954516.db2.gz CQYXDFOQQNQGCC-UHFFFAOYSA-N 0 0 455.349 4.866 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N1CCCCc2cc(Br)ccc21)NC(C)=O ZINC001435720062 1064954719 /nfs/dbraw/zinc/95/47/19/1064954719.db2.gz XMQUZSZGGOZOJK-HXUWFJFHSA-N 0 0 459.384 4.785 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3OCC(F)F)cs2)cc1OC ZINC001435722043 1064955098 /nfs/dbraw/zinc/95/50/98/1064955098.db2.gz OKRPABLNIVLFOM-UHFFFAOYSA-N 0 0 452.454 4.792 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360089119 1064955232 /nfs/dbraw/zinc/95/52/32/1064955232.db2.gz KURHCJMAMIGHOF-UHFFFAOYSA-N 0 0 483.554 4.865 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001360089510 1064956415 /nfs/dbraw/zinc/95/64/15/1064956415.db2.gz SZDRDOBLRMXCGE-HMXCVIKNSA-N 0 0 462.660 4.757 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCOCc2ccccc2)CC1 ZINC001360089708 1064956462 /nfs/dbraw/zinc/95/64/62/1064956462.db2.gz XSOPWQCEGJLZLM-UHFFFAOYSA-N 0 0 469.674 4.656 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001435726142 1064957416 /nfs/dbraw/zinc/95/74/16/1064957416.db2.gz XLGOYZZEFHQNNZ-LEWJYISDSA-N 0 0 456.583 4.668 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001360090402 1064957472 /nfs/dbraw/zinc/95/74/72/1064957472.db2.gz CSJUEAOFNDEALY-MRXNPFEDSA-N 0 0 457.423 4.821 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001360090203 1064957575 /nfs/dbraw/zinc/95/75/75/1064957575.db2.gz WNSBMPBXZZFXRE-QFIPXVFZSA-N 0 0 489.611 4.763 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001360090202 1064957794 /nfs/dbraw/zinc/95/77/94/1064957794.db2.gz WNSBMPBXZZFXRE-JOCHJYFZSA-N 0 0 489.611 4.763 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)s2)c1 ZINC001360090491 1064957823 /nfs/dbraw/zinc/95/78/23/1064957823.db2.gz GJNFHINUWBPNMC-AWEZNQCLSA-N 0 0 457.353 4.649 20 0 JJADRN CN(C(=O)c1cc(C(=O)OC(C)(C)C)nn1C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435726223 1064958244 /nfs/dbraw/zinc/95/82/44/1064958244.db2.gz ZKNOGOGAZXGDPT-AEFFLSMTSA-N 0 0 451.489 4.803 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC001435726425 1064958352 /nfs/dbraw/zinc/95/83/52/1064958352.db2.gz LGWLNUSHMWGUCV-UHFFFAOYSA-N 0 0 457.759 4.921 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)Oc2ccccc21 ZINC001435726285 1064958458 /nfs/dbraw/zinc/95/84/58/1064958458.db2.gz KBGQVRKQIBSXSV-PMACEKPBSA-N 0 0 452.860 4.740 20 0 JJADRN COc1ccc(CCC(=O)N(C)CCc2ccc(Br)cc2)c(Br)c1 ZINC001360091080 1064958571 /nfs/dbraw/zinc/95/85/71/1064958571.db2.gz DDSYULPNQOUXOZ-UHFFFAOYSA-N 0 0 455.190 4.854 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCC(F)(F)CC2)CC1 ZINC001360091780 1064958980 /nfs/dbraw/zinc/95/89/80/1064958980.db2.gz FTEFWJKYVKMGPE-UHFFFAOYSA-N 0 0 453.622 4.775 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435727871 1064959482 /nfs/dbraw/zinc/95/94/82/1064959482.db2.gz QHQGRHKENDYTFF-UHFFFAOYSA-N 0 0 454.636 4.784 20 0 JJADRN O=C(NCC1(Cc2ccccc2)CCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001435727613 1064959514 /nfs/dbraw/zinc/95/95/14/1064959514.db2.gz KMUJFZGMBRWMMM-IBGZPJMESA-N 0 0 455.396 4.721 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001435728635 1064960300 /nfs/dbraw/zinc/96/03/00/1064960300.db2.gz CJQXIKGHIYSKOB-SJCJKPOMSA-N 0 0 457.333 4.713 20 0 JJADRN CCOC(=O)CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)C(C)(C)C ZINC001435731531 1064962432 /nfs/dbraw/zinc/96/24/32/1064962432.db2.gz OSGKAJIYSBGGGT-UHFFFAOYSA-N 0 0 454.398 4.919 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)N[C@@H](C)c2ccc(OC)cc2Br)[C@@H]1c1cccc(C)c1 ZINC001435732177 1064962506 /nfs/dbraw/zinc/96/25/06/1064962506.db2.gz QBPUVAFJMOTSHD-OHEPNIRZSA-N 0 0 459.384 4.553 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001435731787 1064962519 /nfs/dbraw/zinc/96/25/19/1064962519.db2.gz LJPUMRQEIJKKCU-YJBOKZPZSA-N 0 0 458.383 4.591 20 0 JJADRN CCOC(=O)CCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)C(C)(C)C ZINC001435731943 1064962570 /nfs/dbraw/zinc/96/25/70/1064962570.db2.gz RPUSJXJFTOBMFY-UHFFFAOYSA-N 0 0 451.361 4.617 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC001435733009 1064963070 /nfs/dbraw/zinc/96/30/70/1064963070.db2.gz QNURTRYSXPLOBC-SEEARECTSA-N 0 0 450.448 4.729 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC001435735900 1064964263 /nfs/dbraw/zinc/96/42/63/1064964263.db2.gz LYTSXYNSHCFISK-CYBMUJFWSA-N 0 0 456.302 4.867 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1Cl)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001435736066 1064964335 /nfs/dbraw/zinc/96/43/35/1064964335.db2.gz JNPCUNPQGAMBFE-UHFFFAOYSA-N 0 0 455.235 4.614 20 0 JJADRN CC[C@@H](CSC)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC001435735314 1064964444 /nfs/dbraw/zinc/96/44/44/1064964444.db2.gz HAUHASVMEGTEAV-SFHVURJKSA-N 0 0 456.637 4.601 20 0 JJADRN COC(=O)Nc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC001435734691 1064964519 /nfs/dbraw/zinc/96/45/19/1064964519.db2.gz RQTSGCXEJRUDQI-UHFFFAOYSA-N 0 0 458.470 4.639 20 0 JJADRN CCc1nc(C(=O)N[C@H](COC)c2ccc(F)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001435737531 1064965685 /nfs/dbraw/zinc/96/56/85/1064965685.db2.gz RMNOGPCSRXDFLB-MRXNPFEDSA-N 0 0 455.292 4.532 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1)c1ccc(F)cc1 ZINC001435739424 1064965737 /nfs/dbraw/zinc/96/57/37/1064965737.db2.gz DLTQEBKHPCRYKP-IBGZPJMESA-N 0 0 455.892 4.879 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 ZINC001435737602 1064965831 /nfs/dbraw/zinc/96/58/31/1064965831.db2.gz RSKOTONMPVXBFI-UHFFFAOYSA-N 0 0 456.589 4.867 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)[C@@H](C)Cc3ccc(F)c(Br)c3)c2=O)cc1 ZINC001435740460 1064966228 /nfs/dbraw/zinc/96/62/28/1064966228.db2.gz ZNMDGFHJXYJYEH-INIZCTEOSA-N 0 0 457.343 4.924 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)CCC2 ZINC001435741986 1064966957 /nfs/dbraw/zinc/96/69/57/1064966957.db2.gz ZNLGXJXBWMKGES-IAGOWNOFSA-N 0 0 452.389 4.564 20 0 JJADRN CN1CCO[C@H]([C@H](NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744751 1064969003 /nfs/dbraw/zinc/96/90/03/1064969003.db2.gz CLSWTVWNGOQOJR-OZROYSPXSA-N 0 0 451.369 4.814 20 0 JJADRN COc1cc(CNC(=O)C(F)(F)C(F)F)cc(Br)c1OCc1ccccc1 ZINC001435744529 1064969241 /nfs/dbraw/zinc/96/92/41/1064969241.db2.gz BNOXCUCOTMJBGV-UHFFFAOYSA-N 0 0 450.226 4.553 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001435745644 1064969678 /nfs/dbraw/zinc/96/96/78/1064969678.db2.gz FGICDSKFAJXYSE-LPTQZCDUSA-N 0 0 454.920 4.726 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)c1 ZINC001435745243 1064970199 /nfs/dbraw/zinc/97/01/99/1064970199.db2.gz GDXAASOKFMPCHJ-BYYDDPFNSA-N 0 0 481.252 4.631 20 0 JJADRN Cc1c(I)cccc1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC001435746144 1064970536 /nfs/dbraw/zinc/97/05/36/1064970536.db2.gz LLVGSFYMKZOPJN-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745649 1064970671 /nfs/dbraw/zinc/97/06/71/1064970671.db2.gz FLDSVYJREREPRC-ROUUACIJSA-N 0 0 458.183 4.558 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ncc(C)cc2Br)c2ccccc2)cc1 ZINC001435746226 1064970749 /nfs/dbraw/zinc/97/07/49/1064970749.db2.gz KIVIBIHLSLJILI-HXUWFJFHSA-N 0 0 452.352 4.961 20 0 JJADRN Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1C ZINC001435748799 1064972334 /nfs/dbraw/zinc/97/23/34/1064972334.db2.gz NCDANKVQACLTPS-DOTOQJQBSA-N 0 0 457.821 4.583 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749589 1064973162 /nfs/dbraw/zinc/97/31/62/1064973162.db2.gz OTXRLUYYPUMPCQ-RDPSFJRHSA-N 0 0 458.027 4.851 20 0 JJADRN CN1CCO[C@@H]([C@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749587 1064973279 /nfs/dbraw/zinc/97/32/79/1064973279.db2.gz OTXRLUYYPUMPCQ-HYBUGGRVSA-N 0 0 458.027 4.851 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC001435749767 1064973857 /nfs/dbraw/zinc/97/38/57/1064973857.db2.gz WTYLJTSIKIKRIU-DYESRHJHSA-N 0 0 454.640 4.959 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC001435750500 1064975371 /nfs/dbraw/zinc/97/53/71/1064975371.db2.gz ZWVFADLVRYJKPO-OCCSQVGLSA-N 0 0 450.402 4.983 20 0 JJADRN COc1cccc2c1CCCCN2C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001435751276 1064975584 /nfs/dbraw/zinc/97/55/84/1064975584.db2.gz NAWUUIKXWAASSI-UHFFFAOYSA-N 0 0 455.555 4.781 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1ccc(OC(F)F)cn1 ZINC001435750957 1064975605 /nfs/dbraw/zinc/97/56/05/1064975605.db2.gz NAPZWGXPPPDILE-UHFFFAOYSA-N 0 0 456.070 4.561 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)OCc1ccn(-c2c(F)cccc2F)n1 ZINC001435752440 1064977212 /nfs/dbraw/zinc/97/72/12/1064977212.db2.gz CCOONISEBZMSEV-UHFFFAOYSA-N 0 0 452.461 4.728 20 0 JJADRN O=C(NCCOc1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC001360099021 1064978105 /nfs/dbraw/zinc/97/81/05/1064978105.db2.gz QFUAPENGACHCIX-UHFFFAOYSA-N 0 0 458.415 4.630 20 0 JJADRN O=C(Oc1ccc(Cl)c(F)c1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC001435755764 1064978818 /nfs/dbraw/zinc/97/88/18/1064978818.db2.gz XUERKSWGMXGCDO-UHFFFAOYSA-N 0 0 451.928 4.507 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001435758674 1064979810 /nfs/dbraw/zinc/97/98/10/1064979810.db2.gz AROMHMGNXRANFR-BBRMVZONSA-N 0 0 452.311 4.948 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001435758677 1064979993 /nfs/dbraw/zinc/97/99/93/1064979993.db2.gz AROMHMGNXRANFR-CJNGLKHVSA-N 0 0 452.311 4.948 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(\C)c2ccccc2OC(F)F)c1 ZINC001435763782 1064981776 /nfs/dbraw/zinc/98/17/76/1064981776.db2.gz IJJUSLVKKXPCJK-ASNKMWSDSA-N 0 0 452.523 4.548 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)c(C(F)(F)F)c1 ZINC001360102322 1064982480 /nfs/dbraw/zinc/98/24/80/1064982480.db2.gz PBQQAVJFBFPYLS-QGZVFWFLSA-N 0 0 450.417 4.579 20 0 JJADRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)CCc2cc(Br)c(Br)s2)CCO1 ZINC001435767335 1064983012 /nfs/dbraw/zinc/98/30/12/1064983012.db2.gz RAMXSOHLAONLLX-GWCFXTLKSA-N 0 0 453.240 4.916 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1 ZINC001435767557 1064983031 /nfs/dbraw/zinc/98/30/31/1064983031.db2.gz XCLAYWAMKNAQRQ-MRXNPFEDSA-N 0 0 457.621 4.513 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)C(=O)OC(C)(C)C ZINC001435768058 1064983661 /nfs/dbraw/zinc/98/36/61/1064983661.db2.gz SZIFLZPLSCQXGH-SBUREZEXSA-N 0 0 451.567 4.579 20 0 JJADRN CC(C)[C@H](OC(=O)c1nn(C)cc1I)c1cccc(C(F)(F)F)c1 ZINC001435768985 1064984310 /nfs/dbraw/zinc/98/43/10/1064984310.db2.gz BHTLNMXIBVOFLV-AWEZNQCLSA-N 0 0 452.214 4.598 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)c2csc(-c3ccc(Br)s3)n2)cn1 ZINC001435774021 1064985989 /nfs/dbraw/zinc/98/59/89/1064985989.db2.gz IDJDJRIGYSCBJR-UHFFFAOYSA-N 0 0 459.394 4.965 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1)N1C(=O)c2ccccc2C1=O ZINC001435773241 1064986082 /nfs/dbraw/zinc/98/60/82/1064986082.db2.gz BXUSJAOGHUJMHB-BTYIYWSLSA-N 0 0 450.535 4.600 20 0 JJADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001360104950 1064986525 /nfs/dbraw/zinc/98/65/25/1064986525.db2.gz MILXLXLCVDSYDF-IIBYNOLFSA-N 0 0 453.583 4.962 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCCCc3ccc(C(C)C)cc3)CC2=O)ccc1Br ZINC001360105339 1064986647 /nfs/dbraw/zinc/98/66/47/1064986647.db2.gz DADZHSOQIJJDNO-FQEVSTJZSA-N 0 0 457.412 4.983 20 0 JJADRN CSCC[C@@H](C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21)N1C(=O)c2ccccc2C1=O ZINC001435776597 1064987367 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COCCN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1cccc(Br)n1 ZINC001435852562 1065024634 /nfs/dbraw/zinc/02/46/34/1065024634.db2.gz PHBIBIFQHMAKKB-UHFFFAOYSA-N 0 0 450.764 4.912 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)OCc2nc(-c3c(F)cccc3F)cs2)CO1 ZINC001435852611 1065024821 /nfs/dbraw/zinc/02/48/21/1065024821.db2.gz PSCSLSMVMYPBHZ-ZIAGYGMSSA-N 0 0 453.507 4.659 20 0 JJADRN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCCC3(C)OCCO3)cc12 ZINC001435854550 1065026196 /nfs/dbraw/zinc/02/61/96/1065026196.db2.gz HOXZIHZPKPYAEC-UHFFFAOYSA-N 0 0 454.379 4.644 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccnc(Br)c2)COCC3)cc1 ZINC001435855672 1065026730 /nfs/dbraw/zinc/02/67/30/1065026730.db2.gz MVKXVKZBPZQCRJ-UHFFFAOYSA-N 0 0 457.349 4.770 20 0 JJADRN Cc1cc2c(cc1NC(=O)c1cccc(NC(=O)c3ccc(Br)cc3)c1)OCO2 ZINC001435856604 1065027694 /nfs/dbraw/zinc/02/76/94/1065027694.db2.gz ZZWCOLDXDAKYGQ-UHFFFAOYSA-N 0 0 453.292 4.991 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001435856533 1065027867 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COc1ccc(Oc2ccc(COC(=O)c3cnc(NC(=O)OC(C)(C)C)cn3)cc2)cc1 ZINC001435865145 1065032002 /nfs/dbraw/zinc/03/20/02/1065032002.db2.gz TWBLHBYTCOXDKQ-UHFFFAOYSA-N 0 0 451.479 4.982 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)cc2s1 ZINC001360135971 1065032153 /nfs/dbraw/zinc/03/21/53/1065032153.db2.gz CWKPGQMHWJZSGM-UHFFFAOYSA-N 0 0 452.646 4.581 20 0 JJADRN CSc1cccc(N(C)C(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c1 ZINC001360137674 1065033668 /nfs/dbraw/zinc/03/36/68/1065033668.db2.gz YLKGZRMOCLRFHX-UHFFFAOYSA-N 0 0 453.029 4.706 20 0 JJADRN Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1NC(=O)c1ccccc1F ZINC001435866519 1065033924 /nfs/dbraw/zinc/03/39/24/1065033924.db2.gz WMTJLDKFZWKUQU-UHFFFAOYSA-N 0 0 452.555 4.862 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001435867176 1065034008 /nfs/dbraw/zinc/03/40/08/1065034008.db2.gz MOJPNGROEQBZBY-BBRMVZONSA-N 0 0 458.340 4.622 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)s1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435867451 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RSYKVFVWOIUNMN-GFCCVEGCSA-N 0 0 451.317 4.547 20 0 JJADRN C[C@@H](CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001435874454 1065037718 /nfs/dbraw/zinc/03/77/18/1065037718.db2.gz RJLGBSLOUWFACO-HNNXBMFYSA-N 0 0 457.489 4.983 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NCC3(c4cccc(F)c4F)CCCC3)o2)cc1 ZINC001435875446 1065038453 /nfs/dbraw/zinc/03/84/53/1065038453.db2.gz HXLVAHOQBWLPNV-UHFFFAOYSA-N 0 0 459.518 4.744 20 0 JJADRN O=C(c1sccc1-c1ccc(F)cc1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001435875513 1065038877 /nfs/dbraw/zinc/03/88/77/1065038877.db2.gz QJOJRUBIIYEYSX-UHFFFAOYSA-N 0 0 456.490 4.777 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)ccc1NC(=O)OC(C)(C)C ZINC001435875974 1065038926 /nfs/dbraw/zinc/03/89/26/1065038926.db2.gz PQNPUZGNRCFEFH-NRFANRHFSA-N 0 0 455.624 4.689 20 0 JJADRN O=C(Nc1nc2c(cccc2Cl)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001435875470 1065039248 /nfs/dbraw/zinc/03/92/48/1065039248.db2.gz IMBPZOXHYVOCOX-UHFFFAOYSA-N 0 0 456.376 4.640 20 0 JJADRN CCn1cc(OC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)cn1 ZINC001435877725 1065039632 /nfs/dbraw/zinc/03/96/32/1065039632.db2.gz PYOIZPCWIGXKRU-UHFFFAOYSA-N 0 0 454.383 4.822 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC001435876556 1065039734 /nfs/dbraw/zinc/03/97/34/1065039734.db2.gz YDUNFXAWTFSBAH-UHFFFAOYSA-N 0 0 459.774 4.758 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 ZINC001435878335 1065039941 /nfs/dbraw/zinc/03/99/41/1065039941.db2.gz LDJXNTQAPJXAQN-IBGZPJMESA-N 0 0 455.624 4.540 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1Cl ZINC001435878907 1065039989 /nfs/dbraw/zinc/03/99/89/1065039989.db2.gz GEGOQPXLTTVDBU-UHFFFAOYSA-N 0 0 459.167 4.890 20 0 JJADRN COc1ccc(Br)c(OC(=O)Cn2c3ccccc3nc2-c2scnc2C)c1 ZINC001435878867 1065040143 /nfs/dbraw/zinc/04/01/43/1065040143.db2.gz SSVSZBAESHKJAK-UHFFFAOYSA-N 0 0 458.337 4.845 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)nc2)cc(Br)c1F ZINC001435879587 1065040420 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459.525 4.634 20 0 JJADRN CCCc1c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cnn1-c1ccccc1C ZINC001435886951 1065045069 /nfs/dbraw/zinc/04/50/69/1065045069.db2.gz CHRTXHMZGABMFC-UHFFFAOYSA-N 0 0 451.470 4.679 20 0 JJADRN CC[C@H](CN(C)C(=O)COc1ccc2c(c1)CCC(=O)N2)Oc1ccc(Cl)c(Cl)c1 ZINC001435889109 1065046523 /nfs/dbraw/zinc/04/65/23/1065046523.db2.gz GLFVWSMSXUAVHU-OAHLLOKOSA-N 0 0 451.350 4.573 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC001435889524 1065046632 /nfs/dbraw/zinc/04/66/32/1065046632.db2.gz DIYWYISGHZRUPV-RKOYOZNISA-N 0 0 457.615 4.704 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001360145745 1065047357 /nfs/dbraw/zinc/04/73/57/1065047357.db2.gz VWFOPDVAMKNGEN-UHFFFAOYSA-N 0 0 459.999 4.777 20 0 JJADRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c1 ZINC001360145428 1065047383 /nfs/dbraw/zinc/04/73/83/1065047383.db2.gz PGXRZGPMJNNXOX-UHFFFAOYSA-N 0 0 452.363 4.755 20 0 JJADRN CO[C@H](C(=O)Oc1cc(F)cc(I)c1)c1ccccc1C(F)(F)F ZINC001435892618 1065048392 /nfs/dbraw/zinc/04/83/92/1065048392.db2.gz DUQOIBYIGOAPGL-AWEZNQCLSA-N 0 0 454.157 4.742 20 0 JJADRN CC(C)[C@@](C)(NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(Br)cc1 ZINC001435892360 1065048609 /nfs/dbraw/zinc/04/86/09/1065048609.db2.gz UXZCXTWYYLEILJ-PZJWPPBQSA-N 0 0 451.311 4.908 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435894838 1065050116 /nfs/dbraw/zinc/05/01/16/1065050116.db2.gz XWTXIPIPBZTREP-HVXYMJQESA-N 0 0 452.998 4.877 20 0 JJADRN Cc1onc(OC(F)F)c1NC(=O)CCCCc1ccc(I)cc1 ZINC001435897780 1065050903 /nfs/dbraw/zinc/05/09/03/1065050903.db2.gz VNGWWARFUCYNGG-UHFFFAOYSA-N 0 0 450.223 4.541 20 0 JJADRN COC[C@]1(C(=O)NCc2ccccc2Oc2cccc(F)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360148396 1065051118 /nfs/dbraw/zinc/05/11/18/1065051118.db2.gz GGILNDYXZXKYCC-VWLOTQADSA-N 0 0 458.530 4.508 20 0 JJADRN CNC(=O)CCOc1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC001360148740 1065051513 /nfs/dbraw/zinc/05/15/13/1065051513.db2.gz MEMVZDDWEWLJAF-XMMPIXPASA-N 0 0 452.938 4.922 20 0 JJADRN C[C@H](c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1)N1CCOCC1 ZINC001360148782 1065051562 /nfs/dbraw/zinc/05/15/62/1065051562.db2.gz NQLPHRVBPSZAEW-OAHLLOKOSA-N 0 0 456.340 4.750 20 0 JJADRN C[C@H](c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1)N1CCOCC1 ZINC001360149002 1065051659 /nfs/dbraw/zinc/05/16/59/1065051659.db2.gz WJOSKJANEFRVSC-QGZVFWFLSA-N 0 0 454.958 4.745 20 0 JJADRN C[C@@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)c1cc2ccccc2o1 ZINC001435900200 1065052893 /nfs/dbraw/zinc/05/28/93/1065052893.db2.gz QRVCFRVPEUKPCU-CQSZACIVSA-N 0 0 450.354 4.627 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1OCC ZINC001435901964 1065053512 /nfs/dbraw/zinc/05/35/12/1065053512.db2.gz JJVBBDJXEGFBBF-KRWDZBQOSA-N 0 0 452.320 4.568 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1OCC ZINC001435901965 1065053548 /nfs/dbraw/zinc/05/35/48/1065053548.db2.gz JJVBBDJXEGFBBF-QGZVFWFLSA-N 0 0 452.320 4.568 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC001435902927 1065054057 /nfs/dbraw/zinc/05/40/57/1065054057.db2.gz SQRNLMHUEOPYOM-IFMALSPDSA-N 0 0 455.599 4.602 20 0 JJADRN NC(=O)c1cc(C(=O)OCc2cc(Cl)c(C(F)(F)F)c(Cl)c2)nn1-c1ccccc1 ZINC001435903879 1065054994 /nfs/dbraw/zinc/05/49/94/1065054994.db2.gz XWCWHXUEHYDVRR-UHFFFAOYSA-N 0 0 458.223 4.654 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC001360151044 1065054985 /nfs/dbraw/zinc/05/49/85/1065054985.db2.gz QLHQSXNAOIHJPZ-HNNXBMFYSA-N 0 0 456.327 4.775 20 0 JJADRN C[C@@H](CCNC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)CC(C)(C)C ZINC001435904977 1065055296 /nfs/dbraw/zinc/05/52/96/1065055296.db2.gz QLSUAPFMBBJBQF-INIZCTEOSA-N 0 0 457.596 4.733 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC001435905258 1065055468 /nfs/dbraw/zinc/05/54/68/1065055468.db2.gz VBFXFNRVDCRLFC-UXHICEINSA-N 0 0 457.958 4.754 20 0 JJADRN Cn1cc(CCNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c2ccc(Cl)cc21 ZINC001435905483 1065055531 /nfs/dbraw/zinc/05/55/31/1065055531.db2.gz XOWBBOVBDYZKCO-UHFFFAOYSA-N 0 0 451.979 4.796 20 0 JJADRN CC(C)[C@@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)Cc1ccc(Cl)cc1Cl ZINC001360151333 1065055645 /nfs/dbraw/zinc/05/56/45/1065055645.db2.gz YIDFUXVYZFGONJ-QGZVFWFLSA-N 0 0 454.419 4.931 20 0 JJADRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC001435906662 1065056323 /nfs/dbraw/zinc/05/63/23/1065056323.db2.gz IVPSWLUVLOFIPA-GCJKJVERSA-N 0 0 450.023 4.821 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c(Br)c1 ZINC001435907803 1065056617 /nfs/dbraw/zinc/05/66/17/1065056617.db2.gz CORJWXNEBHUADI-NRFANRHFSA-N 0 0 454.320 4.672 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)c1cn(-c2ccc(Br)cc2)cn1 ZINC001435908444 1065057104 /nfs/dbraw/zinc/05/71/04/1065057104.db2.gz HQESMRAYOKTYFJ-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN Cc1ccc(I)c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC001435908905 1065057566 /nfs/dbraw/zinc/05/75/66/1065057566.db2.gz VSCXBELTJDLFCZ-ACJLOTCBSA-N 0 0 455.723 4.855 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001435908781 1065057674 /nfs/dbraw/zinc/05/76/74/1065057674.db2.gz FKYGNUVIDHJLOM-HNNXBMFYSA-N 0 0 450.348 4.814 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CC(C)(C)C(C)C)c2ccccc2c1=O ZINC001360156550 1065058408 /nfs/dbraw/zinc/05/84/08/1065058408.db2.gz DSEUOBHKANNARC-FQEVSTJZSA-N 0 0 480.657 4.781 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)C(C)C)c2ccccc2c1=O ZINC001360156551 1065058420 /nfs/dbraw/zinc/05/84/20/1065058420.db2.gz DSEUOBHKANNARC-HXUWFJFHSA-N 0 0 480.657 4.781 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)C(F)(F)F)c2ccccc2c1=O ZINC001360156787 1065058495 /nfs/dbraw/zinc/05/84/95/1065058495.db2.gz NRMNUMAAJCNHPO-UHFFFAOYSA-N 0 0 490.452 4.823 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC001435910953 1065058872 /nfs/dbraw/zinc/05/88/72/1065058872.db2.gz MRIWFVLULIJLSP-IBGZPJMESA-N 0 0 458.331 4.703 20 0 JJADRN Cc1c(C(=O)O[C@H](Cc2ccc(F)cc2)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 ZINC001435910389 1065058932 /nfs/dbraw/zinc/05/89/32/1065058932.db2.gz GVWXEEYWHWOAEX-MRXNPFEDSA-N 0 0 459.346 4.647 20 0 JJADRN COc1ccc(-c2cc(C(=O)O[C@@H](Cc3ccc(F)cc3)C(F)(F)F)nn2C)cc1OC ZINC001435911878 1065059362 /nfs/dbraw/zinc/05/93/62/1065059362.db2.gz LZIAQROYHVGUTO-FQEVSTJZSA-N 0 0 452.404 4.574 20 0 JJADRN Cc1cc(F)c(C(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)c(F)c1 ZINC001435911467 1065059433 /nfs/dbraw/zinc/05/94/33/1065059433.db2.gz BOQKDYSOFWFEGT-OAHLLOKOSA-N 0 0 454.311 4.866 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC001435912185 1065059547 /nfs/dbraw/zinc/05/95/47/1065059547.db2.gz YIVMVTJHXJJZFJ-GFCCVEGCSA-N 0 0 456.789 4.904 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)c1 ZINC001360161084 1065059802 /nfs/dbraw/zinc/05/98/02/1065059802.db2.gz BKLZDYKNZNEILX-UHFFFAOYSA-N 0 0 452.532 4.931 20 0 JJADRN Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161326 1065059857 /nfs/dbraw/zinc/05/98/57/1065059857.db2.gz HEYRXXKFCDHDOG-SFHVURJKSA-N 0 0 459.999 4.947 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001360160951 1065059969 /nfs/dbraw/zinc/05/99/69/1065059969.db2.gz XMOSJKGSKVNNDX-AHRSYUTCSA-N 0 0 451.007 4.966 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1CCCOC1CCCC1 ZINC001360161559 1065060242 /nfs/dbraw/zinc/06/02/42/1065060242.db2.gz DUWWIQCRTLKADQ-GOSISDBHSA-N 0 0 453.587 4.709 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3OCC3CCC3)CC2=O)c(OC)c1 ZINC001435913651 1065060284 /nfs/dbraw/zinc/06/02/84/1065060284.db2.gz HSBHSNTXOWSAIE-MRXNPFEDSA-N 0 0 458.942 4.528 20 0 JJADRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001435913056 1065060399 /nfs/dbraw/zinc/06/03/99/1065060399.db2.gz SNPXLPWELCTUTJ-UHFFFAOYSA-N 0 0 456.823 4.644 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360161688 1065060379 /nfs/dbraw/zinc/06/03/79/1065060379.db2.gz FYPWEQKUSSQZBA-ZDUSSCGKSA-N 0 0 492.527 4.884 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC001435913990 1065060727 /nfs/dbraw/zinc/06/07/27/1065060727.db2.gz UAFHBNDCHVSGDP-AWEZNQCLSA-N 0 0 454.386 4.523 20 0 JJADRN CCn1cc(Cl)cc1C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001435913957 1065060760 /nfs/dbraw/zinc/06/07/60/1065060760.db2.gz ONWIMTWECVZTSA-MRXNPFEDSA-N 0 0 455.780 4.754 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001360162243 1065060866 /nfs/dbraw/zinc/06/08/66/1065060866.db2.gz LBZJALZCUQHVBK-IBGZPJMESA-N 0 0 490.633 4.698 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1Cc1ccnc(OCc2ccccc2)c1 ZINC001360162244 1065061393 /nfs/dbraw/zinc/06/13/93/1065061393.db2.gz LBZJALZCUQHVBK-LJQANCHMSA-N 0 0 490.633 4.698 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC001435916839 1065061739 /nfs/dbraw/zinc/06/17/39/1065061739.db2.gz AILZFNYVJUJXNJ-UHFFFAOYSA-N 0 0 452.595 4.696 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001360162586 1065061728 /nfs/dbraw/zinc/06/17/28/1065061728.db2.gz OQXMCBITELIKJR-SJORKVTESA-N 0 0 479.610 4.529 20 0 JJADRN CN1CCN(c2ccc(NC(=O)c3cc(Cl)cc4cccnc43)cc2Br)CC1 ZINC001435916191 1065061920 /nfs/dbraw/zinc/06/19/20/1065061920.db2.gz OXBIPTWRXUCSNH-UHFFFAOYSA-N 0 0 459.775 4.655 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360164257 1065062211 /nfs/dbraw/zinc/06/22/11/1065062211.db2.gz QTCNBPBLYSRLDN-CEMLEFRQSA-N 0 0 467.658 4.770 20 0 JJADRN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)C1CC1 ZINC001360165500 1065062617 /nfs/dbraw/zinc/06/26/17/1065062617.db2.gz PQWIBPSROBOPRU-RYLXDESZSA-N 0 0 450.645 4.591 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1Cc1ccsc1Br ZINC001360168438 1065063029 /nfs/dbraw/zinc/06/30/29/1065063029.db2.gz UUWXNHPBGVHTQF-OAHLLOKOSA-N 0 0 476.444 4.529 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360168234 1065063145 /nfs/dbraw/zinc/06/31/45/1065063145.db2.gz NVBKILJQMJLCQO-PBHICJAKSA-N 0 0 498.550 4.734 20 0 JJADRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001360167952 1065063235 /nfs/dbraw/zinc/06/32/35/1065063235.db2.gz YPLVINVPLMHDJS-GOSISDBHSA-N 0 0 456.589 4.632 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cccc(OC(C)C)c2)n1Cc1coc(-c2cccs2)n1 ZINC001360168133 1065063270 /nfs/dbraw/zinc/06/32/70/1065063270.db2.gz KYSWCODHBOAJMZ-UHFFFAOYSA-N 0 0 494.621 4.605 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360169381 1065063502 /nfs/dbraw/zinc/06/35/02/1065063502.db2.gz CNVFJCIVMAMZCX-OAHLLOKOSA-N 0 0 455.500 4.547 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360169380 1065063595 /nfs/dbraw/zinc/06/35/95/1065063595.db2.gz CNVFJCIVMAMZCX-HNNXBMFYSA-N 0 0 455.500 4.547 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)C1C(C)(C)C1(C)C)CN(C(=O)OC(C)(C)C)CC2 ZINC000149710590 1065063638 /nfs/dbraw/zinc/06/36/38/1065063638.db2.gz CNDXBLGPYZFJCE-UHFFFAOYSA-N 0 0 450.601 4.839 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360169573 1065064078 /nfs/dbraw/zinc/06/40/78/1065064078.db2.gz KDGJTAOOMDGQNX-HSZRJFAPSA-N 0 0 499.553 4.542 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001360169751 1065064204 /nfs/dbraw/zinc/06/42/04/1065064204.db2.gz QTLAPMZGWWFHCB-UHFFFAOYSA-N 0 0 467.973 4.928 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCCc1nc2c(s1)CCCC2 ZINC001360169798 1065064264 /nfs/dbraw/zinc/06/42/64/1065064264.db2.gz SOYMFCZEHNBUBP-UHFFFAOYSA-N 0 0 493.102 4.736 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)c2ccccc21 ZINC001435921020 1065064267 /nfs/dbraw/zinc/06/42/67/1065064267.db2.gz OAAVUYPGKATMNP-FQEVSTJZSA-N 0 0 457.368 4.747 20 0 JJADRN Cc1ccc(COC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1Br ZINC001435921239 1065064313 /nfs/dbraw/zinc/06/43/13/1065064313.db2.gz FXBQLNMRFBHGRC-WBVHZDCISA-N 0 0 455.146 4.736 20 0 JJADRN COC(=O)c1cccc(OC)c1N(C)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC001435921270 1065064359 /nfs/dbraw/zinc/06/43/59/1065064359.db2.gz GHISEBQHQOQFGJ-UHFFFAOYSA-N 0 0 453.495 4.606 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC1(Cc2ccccc2)CC1 ZINC001360171768 1065065138 /nfs/dbraw/zinc/06/51/38/1065065138.db2.gz ASCZKWFYABRTIJ-UHFFFAOYSA-N 0 0 492.571 4.551 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)OCc1ccc(C)c(Br)c1 ZINC001435922773 1065065243 /nfs/dbraw/zinc/06/52/43/1065065243.db2.gz OAEMDNFMZFBUMY-VGOFRKELSA-N 0 0 471.351 4.773 20 0 JJADRN COC(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)ccc1Br ZINC001435923394 1065065255 /nfs/dbraw/zinc/06/52/55/1065065255.db2.gz XACLKEZPVHFOON-UHFFFAOYSA-N 0 0 453.130 4.669 20 0 JJADRN Cc1cccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1Br ZINC001435923212 1065065288 /nfs/dbraw/zinc/06/52/88/1065065288.db2.gz YCXFEGZEFVZABL-UHFFFAOYSA-N 0 0 451.368 4.819 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001435922885 1065065366 /nfs/dbraw/zinc/06/53/66/1065065366.db2.gz GKVNOVRXTQYFMC-NZSAHSFTSA-N 0 0 453.410 4.650 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001360174707 1065066344 /nfs/dbraw/zinc/06/63/44/1065066344.db2.gz NZXGCTSFTVXPKS-JOCHJYFZSA-N 0 0 456.586 4.519 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(OC(CC)CC)cc3)CC2)cc1 ZINC001360174304 1065066504 /nfs/dbraw/zinc/06/65/04/1065066504.db2.gz FSGUGMUGZRGDNH-HXUWFJFHSA-N 0 0 452.595 4.568 20 0 JJADRN COc1ccccc1OCC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001435925222 1065066749 /nfs/dbraw/zinc/06/67/49/1065066749.db2.gz QVHZIEUHVLJAES-UHFFFAOYSA-N 0 0 453.335 4.595 20 0 JJADRN Cc1cc(C(=O)NCCc2ccccc2OC(F)F)nn1-c1ccccc1Br ZINC001435926624 1065067261 /nfs/dbraw/zinc/06/72/61/1065067261.db2.gz AWRKAGSGJZHJJI-UHFFFAOYSA-N 0 0 450.283 4.517 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc(OC(CC)CC)cc2)CC1 ZINC001360178338 1065067372 /nfs/dbraw/zinc/06/73/72/1065067372.db2.gz SBZBHMSVTMKBHG-HXUWFJFHSA-N 0 0 452.595 4.568 20 0 JJADRN COc1ccccc1Cn1cnc2cc(C(=O)NCCc3ccccc3OC(F)F)ccc21 ZINC001435928771 1065067950 /nfs/dbraw/zinc/06/79/50/1065067950.db2.gz NKPKJSQCRRBJON-UHFFFAOYSA-N 0 0 451.473 4.667 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001545894255 1065068203 /nfs/dbraw/zinc/06/82/03/1065068203.db2.gz SGIWIZOESCVDGU-JFIYKMOQSA-N 0 0 463.548 4.936 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([S@@](C)=O)cc3)[C@H]2c2cccs2)cc1 ZINC001360181012 1065068261 /nfs/dbraw/zinc/06/82/61/1065068261.db2.gz OMOVZCOLITUJPB-OJCKMMRBSA-N 0 0 452.601 4.917 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930124 1065068512 /nfs/dbraw/zinc/06/85/12/1065068512.db2.gz CXWNAIUTGIBBJV-SJCJKPOMSA-N 0 0 457.379 4.700 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)[C@H]1c1ccc(F)cc1 ZINC001435931330 1065068544 /nfs/dbraw/zinc/06/85/44/1065068544.db2.gz QKDRSVHSSFHZMD-FUPPJEDESA-N 0 0 473.386 4.635 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930123 1065068615 /nfs/dbraw/zinc/06/86/15/1065068615.db2.gz CXWNAIUTGIBBJV-PXAZEXFGSA-N 0 0 457.379 4.700 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cn1 ZINC001360182073 1065068663 /nfs/dbraw/zinc/06/86/63/1065068663.db2.gz BZYAHYPSUSOJOP-UHFFFAOYSA-N 0 0 458.946 4.960 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1C[C@@H]1CCCC1(C)C ZINC001360181602 1065068853 /nfs/dbraw/zinc/06/88/53/1065068853.db2.gz KOYMEBLNQLJIDY-UNMCSNQZSA-N 0 0 471.621 4.567 20 0 JJADRN CCc1csc(-n2cc(C(=O)N[C@@H](Cc3cccc(Br)c3)CC3CC3)cn2)n1 ZINC001435932028 1065069132 /nfs/dbraw/zinc/06/91/32/1065069132.db2.gz AQMGFAKAYBDZAD-LJQANCHMSA-N 0 0 459.413 4.795 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O)c1nc(C(C)(C)C)cs1 ZINC001360182228 1065069141 /nfs/dbraw/zinc/06/91/41/1065069141.db2.gz IVBKSAKZFZHQMR-LLVKDONJSA-N 0 0 451.379 4.784 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001435933124 1065069541 /nfs/dbraw/zinc/06/95/41/1065069541.db2.gz NCXLBUOKYDHUGL-IBGZPJMESA-N 0 0 458.301 4.644 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC001360182774 1065069729 /nfs/dbraw/zinc/06/97/29/1065069729.db2.gz ZMBQAKKSHVDHTK-GOSISDBHSA-N 0 0 456.970 4.894 20 0 JJADRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001435933375 1065070170 /nfs/dbraw/zinc/07/01/70/1065070170.db2.gz FNSAPGSDYQZVFB-UHFFFAOYSA-N 0 0 457.452 4.876 20 0 JJADRN COc1ccc(S(C)(=O)=O)cc1COC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 ZINC001435934778 1065070704 /nfs/dbraw/zinc/07/07/04/1065070704.db2.gz NLBMRTFIACSQER-UHFFFAOYSA-N 0 0 455.532 4.766 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1Cc1cccnc1OC1CCCC1 ZINC001360183442 1065070738 /nfs/dbraw/zinc/07/07/38/1065070738.db2.gz VWOIGHWRZVEFJD-UHFFFAOYSA-N 0 0 494.615 4.735 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cc2c(cc1OC)OCO2 ZINC001360183807 1065071324 /nfs/dbraw/zinc/07/13/24/1065071324.db2.gz NTKHMGFFJGJEEU-UHFFFAOYSA-N 0 0 455.850 4.909 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC001360185645 1065071612 /nfs/dbraw/zinc/07/16/12/1065071612.db2.gz WGRQKNYNDALKDO-UHFFFAOYSA-N 0 0 451.618 4.703 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Oc3cnc4ccc(Br)cc4c3)CC2=O)c(C)c1 ZINC001435936900 1065071577 /nfs/dbraw/zinc/07/15/77/1065071577.db2.gz AAZPUROLLJXWPR-KRWDZBQOSA-N 0 0 453.336 4.881 20 0 JJADRN CCCc1nc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)nn1-c1ccccc1F ZINC001360185606 1065071723 /nfs/dbraw/zinc/07/17/23/1065071723.db2.gz VICVLPRXNGYEPS-UHFFFAOYSA-N 0 0 454.502 4.603 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC001360187610 1065072051 /nfs/dbraw/zinc/07/20/51/1065072051.db2.gz GAPOAYQOSVTLOR-NHCUHLMSSA-N 0 0 456.455 4.967 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001360187403 1065072216 /nfs/dbraw/zinc/07/22/16/1065072216.db2.gz CQSZWXHYPUMPLK-AWEZNQCLSA-N 0 0 452.190 4.731 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC001360187611 1065072529 /nfs/dbraw/zinc/07/25/29/1065072529.db2.gz GAPOAYQOSVTLOR-RTWAWAEBSA-N 0 0 456.455 4.967 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 ZINC001360187672 1065072563 /nfs/dbraw/zinc/07/25/63/1065072563.db2.gz HMAYGETWVFAUAL-GCJKJVERSA-N 0 0 457.412 4.862 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cccc(C)c2Br)CC1 ZINC001360188218 1065072590 /nfs/dbraw/zinc/07/25/90/1065072590.db2.gz OWABVZIBQLFTDO-FQEVSTJZSA-N 0 0 451.355 4.874 20 0 JJADRN Cc1cc(C(=O)Nc2ccnn2-c2cccc(F)c2)c(I)cc1Cl ZINC001435937856 1065072612 /nfs/dbraw/zinc/07/26/12/1065072612.db2.gz QKOXGUYFUZVOMV-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2ccc(C)cc2Br)CC1 ZINC001360188166 1065072627 /nfs/dbraw/zinc/07/26/27/1065072627.db2.gz NSQDTLOVNGMRKJ-NRFANRHFSA-N 0 0 451.355 4.874 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC001360188787 1065073297 /nfs/dbraw/zinc/07/32/97/1065073297.db2.gz WEZVGMQMFKEBFE-HRFSGMKKSA-N 0 0 456.586 4.978 20 0 JJADRN CC(C)(C)n1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c(Br)n1 ZINC001435938584 1065073303 /nfs/dbraw/zinc/07/33/03/1065073303.db2.gz VUPCORSGSDFTTR-UHFFFAOYSA-N 0 0 458.744 4.964 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC001435938771 1065073344 /nfs/dbraw/zinc/07/33/44/1065073344.db2.gz CJTDSXINSLCPIY-UHFFFAOYSA-N 0 0 458.514 4.791 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001360189821 1065073581 /nfs/dbraw/zinc/07/35/81/1065073581.db2.gz GIFJASCNHWXYKY-CZUORRHYSA-N 0 0 457.434 4.947 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1ccc(-n2nnnc2C)cc1F ZINC001360190084 1065074082 /nfs/dbraw/zinc/07/40/82/1065074082.db2.gz JTVQZVYGSPHVIJ-NSHDSACASA-N 0 0 456.934 4.686 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC001360190032 1065074253 /nfs/dbraw/zinc/07/42/53/1065074253.db2.gz IWXBWIHVYHCTAF-XEZPLFJOSA-N 0 0 457.434 4.994 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001360190122 1065074298 /nfs/dbraw/zinc/07/42/98/1065074298.db2.gz LONASEGDROHFNG-VQIMIIECSA-N 0 0 459.409 4.607 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001360189993 1065074359 /nfs/dbraw/zinc/07/43/59/1065074359.db2.gz IIQFKMXSZSQVLR-DOPJRALCSA-N 0 0 459.999 4.514 20 0 JJADRN Cc1cc(C)c2c(c1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)CC2 ZINC001435941087 1065074226 /nfs/dbraw/zinc/07/42/26/1065074226.db2.gz OIZUSSARQMFDSF-GBXCKJPGSA-N 0 0 452.595 4.687 20 0 JJADRN Cc1cc(Br)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c1 ZINC001435940796 1065074293 /nfs/dbraw/zinc/07/42/93/1065074293.db2.gz QMTBEQFADDDFLE-INIZCTEOSA-N 0 0 453.283 4.602 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360190828 1065075379 /nfs/dbraw/zinc/07/53/79/1065075379.db2.gz GFRZEXQRWHBYQD-DOIPELPJSA-N 0 0 459.679 4.805 20 0 JJADRN CSCc1cccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC001435945133 1065075622 /nfs/dbraw/zinc/07/56/22/1065075622.db2.gz VJELBRFOBDJBPH-JOCHJYFZSA-N 0 0 453.608 4.783 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)Cc1c[nH]c3cccc(Br)c13)CCS2 ZINC001435945330 1065075824 /nfs/dbraw/zinc/07/58/24/1065075824.db2.gz BAJWUVNABNLMQD-UHFFFAOYSA-N 0 0 459.365 4.789 20 0 JJADRN CSc1nnc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)s1 ZINC001435945994 1065076147 /nfs/dbraw/zinc/07/61/47/1065076147.db2.gz AQVRJWYQAFHADR-UHFFFAOYSA-N 0 0 455.996 4.755 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 ZINC001360193531 1065076168 /nfs/dbraw/zinc/07/61/68/1065076168.db2.gz HTBLSNOXNYPRGH-UHFFFAOYSA-N 0 0 452.489 4.839 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cccc(-n4ccnn4)c3)sc2[C@@H](C)O1 ZINC001435947834 1065076571 /nfs/dbraw/zinc/07/65/71/1065076571.db2.gz CLQYEYRHGUYBNX-ZIAGYGMSSA-N 0 0 454.552 4.559 20 0 JJADRN CCCCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(C)(C)C ZINC001360194348 1065076864 /nfs/dbraw/zinc/07/68/64/1065076864.db2.gz GCFPYUBXNYYHCV-OAQYLSRUSA-N 0 0 450.601 4.690 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)C1 ZINC001492597032 1065076889 /nfs/dbraw/zinc/07/68/89/1065076889.db2.gz QMBIESZOMMKHGY-OAHLLOKOSA-N 0 0 480.357 4.667 20 0 JJADRN CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCCN(c2ccccc2)C1 ZINC001360198292 1065077101 /nfs/dbraw/zinc/07/71/01/1065077101.db2.gz TZNHSRLVUKOBMM-IBGZPJMESA-N 0 0 457.347 4.515 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001360197736 1065077247 /nfs/dbraw/zinc/07/72/47/1065077247.db2.gz LWTAAEWADHLDKH-IAPPQJPRSA-N 0 0 457.618 4.651 20 0 JJADRN CN(C(=O)c1cc(Cl)ccc1I)[C@H]1CCCN(c2ccccc2)C1 ZINC001360197509 1065077369 /nfs/dbraw/zinc/07/73/69/1065077369.db2.gz KLOIBJMSKPCTJU-INIZCTEOSA-N 0 0 454.739 4.686 20 0 JJADRN COC1CCC(N(C)C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 ZINC001360198567 1065077745 /nfs/dbraw/zinc/07/77/45/1065077745.db2.gz ZIEKYUDMWMZEDJ-UHFFFAOYSA-N 0 0 451.276 4.623 20 0 JJADRN CN(C(=O)CCOc1ccc(Cl)cc1Br)[C@H]1CCCN(c2ccccc2)C1 ZINC001360198351 1065077776 /nfs/dbraw/zinc/07/77/76/1065077776.db2.gz VNVKTTUARMPPGL-SFHVURJKSA-N 0 0 451.792 4.999 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]3C)C1 ZINC001435950001 1065077910 /nfs/dbraw/zinc/07/79/10/1065077910.db2.gz INZUAYVXZUIRKD-LJISPDSOSA-N 0 0 451.585 4.644 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360200520 1065078322 /nfs/dbraw/zinc/07/83/22/1065078322.db2.gz GHGBAEGSPCRXLS-IRXDYDNUSA-N 0 0 484.592 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)o2)CC1 ZINC001435952387 1065078621 /nfs/dbraw/zinc/07/86/21/1065078621.db2.gz WTNNSWGCWTUSQN-PZJWPPBQSA-N 0 0 453.583 4.930 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001435953151 1065078976 /nfs/dbraw/zinc/07/89/76/1065078976.db2.gz DPHZHIVFAJVJGI-SFTDATJTSA-N 0 0 457.412 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360203213 1065079085 /nfs/dbraw/zinc/07/90/85/1065079085.db2.gz CUINQWZILBQRMV-NYLDSWQDSA-N 0 0 477.575 4.854 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC001360203329 1065079180 /nfs/dbraw/zinc/07/91/80/1065079180.db2.gz YDMKDRMUHKVOAZ-ZKYQVNSYSA-N 0 0 451.778 4.754 20 0 JJADRN COCCSc1ccc([C@@H](C)NC(=O)c2c(F)cccc2I)cc1 ZINC001360205118 1065079538 /nfs/dbraw/zinc/07/95/38/1065079538.db2.gz BNVPRYGGNQZIDA-GFCCVEGCSA-N 0 0 459.324 4.660 20 0 JJADRN COCC1(C(=O)Nc2cc(Br)c(C)cc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001435955423 1065079812 /nfs/dbraw/zinc/07/98/12/1065079812.db2.gz BMEFENILJFFUGD-UHFFFAOYSA-N 0 0 455.393 4.668 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001360206083 1065080090 /nfs/dbraw/zinc/08/00/90/1065080090.db2.gz SCTPDQKNOHRWBR-AWEZNQCLSA-N 0 0 452.780 4.704 20 0 JJADRN CCOC1CC(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1 ZINC001435955843 1065080199 /nfs/dbraw/zinc/08/01/99/1065080199.db2.gz IULOLTVEVCLSOK-UHFFFAOYSA-N 0 0 454.368 4.994 20 0 JJADRN O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc(I)cc1F ZINC001435955647 1065080211 /nfs/dbraw/zinc/08/02/11/1065080211.db2.gz GAGHJAIHTHYNML-UHFFFAOYSA-N 0 0 458.177 4.832 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc1 ZINC001435955739 1065080335 /nfs/dbraw/zinc/08/03/35/1065080335.db2.gz HRKNHWHGXGQKFA-AZUAARDMSA-N 0 0 457.665 4.544 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@H](C)c3ccc4ncsc4c3)CC2=O)ccc1Br ZINC001435956249 1065080415 /nfs/dbraw/zinc/08/04/15/1065080415.db2.gz YWSXXBRSUULLQM-HIFRSBDPSA-N 0 0 458.381 4.598 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360207343 1065080563 /nfs/dbraw/zinc/08/05/63/1065080563.db2.gz YOSCTJYNCAWMIL-DYXWJJEUSA-N 0 0 493.574 4.690 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2cccnc2Sc2ccc(C)cc2C)cc1 ZINC001435956402 1065080626 /nfs/dbraw/zinc/08/06/26/1065080626.db2.gz KUNFWEFFDBPMOF-UHFFFAOYSA-N 0 0 450.560 4.674 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001435957062 1065080891 /nfs/dbraw/zinc/08/08/91/1065080891.db2.gz LVEBPVLUQUYZQZ-GOSISDBHSA-N 0 0 452.711 4.503 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001360209014 1065080907 /nfs/dbraw/zinc/08/09/07/1065080907.db2.gz GTXCGXUPDDWEFR-AWEZNQCLSA-N 0 0 452.951 4.954 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)cc1C(=O)NC(C)C ZINC001360208281 1065080931 /nfs/dbraw/zinc/08/09/31/1065080931.db2.gz YORDYSMONASFSR-CBQOVEMMSA-N 0 0 457.615 4.888 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)cc1C(=O)NC(C)C ZINC001360208282 1065080985 /nfs/dbraw/zinc/08/09/85/1065080985.db2.gz YORDYSMONASFSR-DWLFOUALSA-N 0 0 457.615 4.888 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc3scc(Br)c3c2)cc1 ZINC001435957636 1065081169 /nfs/dbraw/zinc/08/11/69/1065081169.db2.gz PGQCKLLUNOINBT-ZDUSSCGKSA-N 0 0 452.395 4.564 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@](C)(OC)c1ccccc1F ZINC001435957584 1065081239 /nfs/dbraw/zinc/08/12/39/1065081239.db2.gz OIICWMJZNYHPMY-XMSQKQJNSA-N 0 0 452.364 4.604 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(N2CCOC2=O)c1 ZINC001360209427 1065081311 /nfs/dbraw/zinc/08/13/11/1065081311.db2.gz UHDZNAOUNLYFJK-UHFFFAOYSA-N 0 0 457.408 4.779 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435959009 1065082118 /nfs/dbraw/zinc/08/21/18/1065082118.db2.gz CFFCOLICZZSZMP-CABCVRRESA-N 0 0 454.445 4.832 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)Cn3c(=O)cnc4ccccc43)cc2C)c1 ZINC001360212109 1065082376 /nfs/dbraw/zinc/08/23/76/1065082376.db2.gz NNIOIJFACSNMLA-UHFFFAOYSA-N 0 0 455.558 4.559 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360212022 1065082438 /nfs/dbraw/zinc/08/24/38/1065082438.db2.gz QIBQTFPGPBNGKX-IBGZPJMESA-N 0 0 499.553 4.821 20 0 JJADRN COC1(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CCCCC1 ZINC001435959475 1065082557 /nfs/dbraw/zinc/08/25/57/1065082557.db2.gz QKWMWTKSRAAZLE-UXHICEINSA-N 0 0 451.007 4.756 20 0 JJADRN Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001360212581 1065082766 /nfs/dbraw/zinc/08/27/66/1065082766.db2.gz ZTJSOAUWDPIGJI-UHFFFAOYSA-N 0 0 459.546 4.611 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC001435959694 1065082993 /nfs/dbraw/zinc/08/29/93/1065082993.db2.gz ZBBBWZVOXCVGKP-MBSDFSHPSA-N 0 0 457.979 4.747 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC001360214165 1065083461 /nfs/dbraw/zinc/08/34/61/1065083461.db2.gz SQWNYYKUBRALRY-UHFFFAOYSA-N 0 0 455.514 4.809 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCNC(=O)CC1CCCCC1 ZINC001360214348 1065083479 /nfs/dbraw/zinc/08/34/79/1065083479.db2.gz HXOAKDBHVVWKMF-UHFFFAOYSA-N 0 0 453.530 4.954 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CCc1cccs1 ZINC001360216010 1065083697 /nfs/dbraw/zinc/08/36/97/1065083697.db2.gz FAEABUYTIVPKCF-UHFFFAOYSA-N 0 0 481.666 4.708 20 0 JJADRN COCc1c(Br)cccc1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001360215377 1065083924 /nfs/dbraw/zinc/08/39/24/1065083924.db2.gz ZXIPVIOWVXRBCB-UHFFFAOYSA-N 0 0 459.134 4.628 20 0 JJADRN COc1cc(C(=O)Nc2cc(Br)c(OC)cc2OC)sc1Br ZINC001435962014 1065083802 /nfs/dbraw/zinc/08/38/02/1065083802.db2.gz MVRTVHCMWYAENJ-UHFFFAOYSA-N 0 0 451.136 4.551 20 0 JJADRN COc1cc(OC)c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1Br ZINC001435962206 1065083818 /nfs/dbraw/zinc/08/38/18/1065083818.db2.gz NZPBFMOGQNZPBA-UHFFFAOYSA-N 0 0 451.317 4.905 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)CCO2 ZINC001435962296 1065083875 /nfs/dbraw/zinc/08/38/75/1065083875.db2.gz IBDGBCHYOWPOPB-GOSISDBHSA-N 0 0 453.457 4.608 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCOc2c(F)cccc21 ZINC001435961690 1065083888 /nfs/dbraw/zinc/08/38/88/1065083888.db2.gz SEQQENIMVFVCSR-TZIWHRDSSA-N 0 0 455.327 4.950 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)C(F)(F)F ZINC001545894533 1065084314 /nfs/dbraw/zinc/08/43/14/1065084314.db2.gz YIRMTTBDMCPIMX-GFCCVEGCSA-N 0 0 457.463 4.564 20 0 JJADRN C[C@@H](OC(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1cn(-c2ccccc2)nn1 ZINC001435964233 1065084426 /nfs/dbraw/zinc/08/44/26/1065084426.db2.gz XXWFPFUQDOQZBN-LLVKDONJSA-N 0 0 456.218 4.846 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001360216816 1065084685 /nfs/dbraw/zinc/08/46/85/1065084685.db2.gz VMRZUFXBINQWGT-AWEZNQCLSA-N 0 0 488.608 4.621 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001435966285 1065084952 /nfs/dbraw/zinc/08/49/52/1065084952.db2.gz CMHSNIDOWMPQFM-OAQYLSRUSA-N 0 0 459.359 4.915 20 0 JJADRN CC(=O)N(CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC001360217090 1065085197 /nfs/dbraw/zinc/08/51/97/1065085197.db2.gz VBIPTHDHZFOSIT-UHFFFAOYSA-N 0 0 455.514 4.697 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC001435967882 1065085824 /nfs/dbraw/zinc/08/58/24/1065085824.db2.gz XEMSFGBKSZYBCG-RHSMWYFYSA-N 0 0 451.514 4.540 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001435967779 1065085892 /nfs/dbraw/zinc/08/58/92/1065085892.db2.gz LOAKTSWNQSULDX-HSZRJFAPSA-N 0 0 452.938 4.623 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(I)cn1 ZINC001360220731 1065086044 /nfs/dbraw/zinc/08/60/44/1065086044.db2.gz RFOITAUBMRVCQK-UHFFFAOYSA-N 0 0 451.091 4.791 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360221855 1065086579 /nfs/dbraw/zinc/08/65/79/1065086579.db2.gz FVAWEJZDJJGNII-OKZBNKHCSA-N 0 0 462.639 4.518 20 0 JJADRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC2CCC(O)(c3cccnc3)CC2)cs1 ZINC001435970774 1065086844 /nfs/dbraw/zinc/08/68/44/1065086844.db2.gz MSRQSMIWPKBHMY-UHFFFAOYSA-N 0 0 453.583 4.877 20 0 JJADRN CCc1nc(C(=O)NC(C)(C)c2nc3ccccc3n2C)nn1-c1c(Cl)cccc1Cl ZINC001435971608 1065086876 /nfs/dbraw/zinc/08/68/76/1065086876.db2.gz BZTBHIZRIYYIPJ-UHFFFAOYSA-N 0 0 457.365 4.688 20 0 JJADRN COc1cc(C(=O)NCc2ccc(F)cc2Br)ccc1OCc1cscn1 ZINC001435972240 1065087188 /nfs/dbraw/zinc/08/71/88/1065087188.db2.gz ZMPZERDACINKJF-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)Oc1ccc(Br)cc1)CC2 ZINC001435971847 1065087250 /nfs/dbraw/zinc/08/72/50/1065087250.db2.gz SIYWXQPBXMCBDY-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001435971728 1065087261 /nfs/dbraw/zinc/08/72/61/1065087261.db2.gz YLFQBKZLQNYVQT-VMQIMYIWSA-N 0 0 454.929 4.941 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CCN1C(=O)OC(C)(C)C ZINC001435971757 1065087285 /nfs/dbraw/zinc/08/72/85/1065087285.db2.gz ZHJAFJYLWKWSCR-PKOBYXMFSA-N 0 0 459.587 4.958 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001360224106 1065087606 /nfs/dbraw/zinc/08/76/06/1065087606.db2.gz ZEVSISRBIPGZBR-OALUTQOASA-N 0 0 499.553 4.821 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001435973050 1065087828 /nfs/dbraw/zinc/08/78/28/1065087828.db2.gz HPRZTZXEBSTRGT-GUYCJALGSA-N 0 0 450.423 4.747 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC001435972845 1065087859 /nfs/dbraw/zinc/08/78/59/1065087859.db2.gz KZTUBQIXTWBFDX-UHFFFAOYSA-N 0 0 459.340 4.946 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CC1 ZINC001360224910 1065088005 /nfs/dbraw/zinc/08/80/05/1065088005.db2.gz MJXZQFGLYLGURQ-JOCHJYFZSA-N 0 0 457.615 4.977 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c2ccc(F)cc2Cl)cc1 ZINC001360225289 1065088207 /nfs/dbraw/zinc/08/82/07/1065088207.db2.gz SAUDNYMVTXHZIO-OAQYLSRUSA-N 0 0 457.933 4.996 20 0 JJADRN COc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(C)(C)C)c(OC)c1 ZINC001435974355 1065088105 /nfs/dbraw/zinc/08/81/05/1065088105.db2.gz BJLJUUYCTYIZPK-FQEVSTJZSA-N 0 0 456.558 4.522 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC001435974097 1065088221 /nfs/dbraw/zinc/08/82/21/1065088221.db2.gz QLZZCUUVTACZGG-FQEVSTJZSA-N 0 0 453.564 4.697 20 0 JJADRN Cc1ccc2c(c1)nc(CNC(=O)CCc1cc(C(F)(F)F)ccc1Br)n2C ZINC001435973682 1065088318 /nfs/dbraw/zinc/08/83/18/1065088318.db2.gz ONUSGRVUTORDIT-UHFFFAOYSA-N 0 0 454.290 4.912 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC001360225508 1065088432 /nfs/dbraw/zinc/08/84/32/1065088432.db2.gz WEPAEAZTBMQLMV-OSPHWJPCSA-N 0 0 459.571 4.872 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccnc2OCc2ccccc2F)c1 ZINC001360225453 1065088628 /nfs/dbraw/zinc/08/86/28/1065088628.db2.gz VEIFYJAYVYTYBK-UHFFFAOYSA-N 0 0 456.539 4.765 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)C(C)(C)C)c(OC)c1 ZINC001435974992 1065088744 /nfs/dbraw/zinc/08/87/44/1065088744.db2.gz FHJHKMQIDKAGDR-UHFFFAOYSA-N 0 0 453.482 4.763 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001360226097 1065089016 /nfs/dbraw/zinc/08/90/16/1065089016.db2.gz GQXRYRMWTWYHHI-WOJBJXKFSA-N 0 0 487.073 4.776 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCC1CC(OC(C)(C)C)C1 ZINC001360225961 1065089139 /nfs/dbraw/zinc/08/91/39/1065089139.db2.gz CLKURRBPUNLIMP-ACBHZAAOSA-N 0 0 459.660 4.803 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC(OCC2CCCCC2)CC1 ZINC001360225652 1065089162 /nfs/dbraw/zinc/08/91/62/1065089162.db2.gz VOKQVGMQOYDPKI-QGZVFWFLSA-N 0 0 453.410 4.934 20 0 JJADRN 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ZINC001436032057 1065128661 /nfs/dbraw/zinc/12/86/61/1065128661.db2.gz VVPCPNABDZVEPL-UHFFFAOYSA-N 0 0 455.262 4.913 20 0 JJADRN O=C([C@@H]1CC(=O)Nc2ccccc21)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001436032026 1065128740 /nfs/dbraw/zinc/12/87/40/1065128740.db2.gz VHUUZWIPQRNFQJ-QGZVFWFLSA-N 0 0 454.299 4.642 20 0 JJADRN COc1ccccc1C1(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)CCC1 ZINC001360294982 1065128875 /nfs/dbraw/zinc/12/88/75/1065128875.db2.gz VPRGYCJJXUUHBA-OAHLLOKOSA-N 0 0 457.621 4.840 20 0 JJADRN COc1ncc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1Cl ZINC001360296223 1065129418 /nfs/dbraw/zinc/12/94/18/1065129418.db2.gz DBWMRRLSAZMWRU-UHFFFAOYSA-N 0 0 451.697 4.950 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001360295723 1065129473 /nfs/dbraw/zinc/12/94/73/1065129473.db2.gz LBXWBZAMKBNZFO-LEWJYISDSA-N 0 0 467.658 4.696 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCCCCC1 ZINC001436033102 1065129943 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JJADRN C[C@@H]1CN(Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@@H](C)O1 ZINC001436033801 1065131553 /nfs/dbraw/zinc/13/15/53/1065131553.db2.gz MMPNAEVGCFBQEY-ZIAGYGMSSA-N 0 0 454.311 4.694 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001360297399 1065131694 /nfs/dbraw/zinc/13/16/94/1065131694.db2.gz SMPFAPHZLZIOQD-AWEZNQCLSA-N 0 0 454.518 4.538 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001436037518 1065132809 /nfs/dbraw/zinc/13/28/09/1065132809.db2.gz JXAJTNITUHQKMM-GOSISDBHSA-N 0 0 451.737 4.745 20 0 JJADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001436036109 1065132936 /nfs/dbraw/zinc/13/29/36/1065132936.db2.gz BZPKNZWCQKOXIO-FQEVSTJZSA-N 0 0 450.539 4.753 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001360300027 1065132994 /nfs/dbraw/zinc/13/29/94/1065132994.db2.gz CEQARQKZBQLIBH-JCOAXYOVSA-N 0 0 452.601 4.689 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3ccc(Sc4ccccc4Cl)nn3)cc2)n1 ZINC001360300239 1065133041 /nfs/dbraw/zinc/13/30/41/1065133041.db2.gz IZLWHFXCOKWCRU-UHFFFAOYSA-N 0 0 453.911 4.804 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)OCc1c(F)ccc(Br)c1F ZINC001436038381 1065133505 /nfs/dbraw/zinc/13/35/05/1065133505.db2.gz ZFXCXKVKDDHOAU-UHFFFAOYSA-N 0 0 453.258 4.955 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001436038966 1065134211 /nfs/dbraw/zinc/13/42/11/1065134211.db2.gz XHZGWIFNKSLUQQ-AVRDEDQJSA-N 0 0 453.380 4.737 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C)c(N3CCOCC3)c2)cc1 ZINC001360302364 1065135011 /nfs/dbraw/zinc/13/50/11/1065135011.db2.gz BJHQQCXHJPEKKQ-AHWVRZQESA-N 0 0 452.595 4.740 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)[C@@H](C)C2)cc1 ZINC001360302088 1065135020 /nfs/dbraw/zinc/13/50/20/1065135020.db2.gz RQQSHSZIUXXHPK-IRXDYDNUSA-N 0 0 468.005 4.664 20 0 JJADRN C[C@@H]1[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001436040592 1065135017 /nfs/dbraw/zinc/13/50/17/1065135017.db2.gz NVRASQYHJAVBDM-BEFAXECRSA-N 0 0 451.405 4.801 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccc(N3CCOCC3)c(C)c2)cc1 ZINC001360302418 1065135676 /nfs/dbraw/zinc/13/56/76/1065135676.db2.gz CSPFVFGTLYHIFX-RSXGOPAZSA-N 0 0 452.595 4.740 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C ZINC001436041366 1065135839 /nfs/dbraw/zinc/13/58/39/1065135839.db2.gz BPUVHBVHUULTGN-UHFFFAOYSA-N 0 0 451.592 4.618 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)cn2)c1C ZINC001360303570 1065136362 /nfs/dbraw/zinc/13/63/62/1065136362.db2.gz IFAQBUOHMGSPQM-NRFANRHFSA-N 0 0 459.546 4.747 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)CC2)c1 ZINC001436042042 1065136503 /nfs/dbraw/zinc/13/65/03/1065136503.db2.gz DDIUTFLDXRVXBA-NRFANRHFSA-N 0 0 452.929 4.586 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)c2cc(Br)c(C)nc2OC)cc1 ZINC001360303941 1065137116 /nfs/dbraw/zinc/13/71/16/1065137116.db2.gz QRFRMTUMJJNJNZ-UHFFFAOYSA-N 0 0 457.324 4.892 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2C1=O ZINC001436042915 1065137266 /nfs/dbraw/zinc/13/72/66/1065137266.db2.gz FTZJTRWEFGYONI-UHFFFAOYSA-N 0 0 452.308 4.646 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c(OC)c1 ZINC001436043003 1065137323 /nfs/dbraw/zinc/13/73/23/1065137323.db2.gz RXWVJKOCPBWUOY-UHFFFAOYSA-N 0 0 459.468 4.961 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N(C)C[C@@H]2CCCCO2)cc1 ZINC001360304707 1065137893 /nfs/dbraw/zinc/13/78/93/1065137893.db2.gz OUKRRQDJIUIYHU-QFIPXVFZSA-N 0 0 454.619 4.519 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCC([C@@H]4CCCO4)CC3)nnc2C(C)(C)C)cc1 ZINC001360304498 1065137901 /nfs/dbraw/zinc/13/79/01/1065137901.db2.gz LNODDWRNRUCQRV-QFIPXVFZSA-N 0 0 468.646 4.549 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCN(Cc4ccsc4)CC3)nnc2C(C)(C)C)cc1 ZINC001360304661 1065138019 /nfs/dbraw/zinc/13/80/19/1065138019.db2.gz ODFFKXAPQXNRME-UHFFFAOYSA-N 0 0 495.697 4.538 20 0 JJADRN O=C(Oc1cc(F)c(Br)cc1Cl)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001436043921 1065138624 /nfs/dbraw/zinc/13/86/24/1065138624.db2.gz PUPOGGIIJIQJCV-MRXNPFEDSA-N 0 0 456.695 4.948 20 0 JJADRN O=C(NCc1ccncc1OCC(F)(F)F)C1(c2ccc(Br)cc2)CCCC1 ZINC001436044360 1065139288 /nfs/dbraw/zinc/13/92/88/1065139288.db2.gz LDWJMOPOKIEAAM-UHFFFAOYSA-N 0 0 457.290 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(OC(F)F)cc3F)o2)CC1 ZINC001436044729 1065139328 /nfs/dbraw/zinc/13/93/28/1065139328.db2.gz BVPDRIRQEKOTDX-UHFFFAOYSA-N 0 0 455.433 4.782 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC001436044348 1065139414 /nfs/dbraw/zinc/13/94/14/1065139414.db2.gz QTPCWEVVEPBLDJ-LJQANCHMSA-N 0 0 458.990 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C(C)(C)C1 ZINC001436044765 1065139845 /nfs/dbraw/zinc/13/98/45/1065139845.db2.gz VSOGVEAJKJECRC-NUJGCVRESA-N 0 0 456.505 4.841 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c(C)c1 ZINC001436045481 1065140583 /nfs/dbraw/zinc/14/05/83/1065140583.db2.gz JSCOSIDHIXKANI-QHCPKHFHSA-N 0 0 456.901 4.671 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1ccc(OC(F)F)c(F)c1 ZINC001436046049 1065140773 /nfs/dbraw/zinc/14/07/73/1065140773.db2.gz QWJNWAKNBQTLMA-UHFFFAOYSA-N 0 0 455.601 4.615 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCCc3ccc(C)cc31)C2 ZINC001360305848 1065141270 /nfs/dbraw/zinc/14/12/70/1065141270.db2.gz HZQGHLLJHVJLLX-NRFANRHFSA-N 0 0 452.551 4.658 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC001436047588 1065141893 /nfs/dbraw/zinc/14/18/93/1065141893.db2.gz FPQCQYFXJMKALX-UHFFFAOYSA-N 0 0 459.775 4.665 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)cc1 ZINC001360306553 1065141917 /nfs/dbraw/zinc/14/19/17/1065141917.db2.gz BPAMFTRPSGTBND-UHFFFAOYSA-N 0 0 454.477 4.526 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 ZINC001436049288 1065143256 /nfs/dbraw/zinc/14/32/56/1065143256.db2.gz PBCHYZDYQRQAMU-UHFFFAOYSA-N 0 0 452.576 4.591 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(C)n(-c2ccc(C)cc2)n1 ZINC001436050180 1065144160 /nfs/dbraw/zinc/14/41/60/1065144160.db2.gz UCNYAVVSTOBYAY-UHFFFAOYSA-N 0 0 459.377 4.574 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC001436049769 1065144207 /nfs/dbraw/zinc/14/42/07/1065144207.db2.gz SRZGLYXAIYZHIE-UHFFFAOYSA-N 0 0 457.785 4.969 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)c1nc2ccc(Cl)cc2s1 ZINC001436050784 1065144587 /nfs/dbraw/zinc/14/45/87/1065144587.db2.gz NTFIPDBOTKBFRE-UHFFFAOYSA-N 0 0 452.001 4.612 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)c3nc4ccc(Cl)cc4s3)cc2)c1C ZINC001436050666 1065144700 /nfs/dbraw/zinc/14/47/00/1065144700.db2.gz KKAQJQHXHBHRBL-UHFFFAOYSA-N 0 0 454.939 4.897 20 0 JJADRN COc1cccc2c1OCC(C(=O)N1CCC(F)(c3ccccc3OC(F)(F)F)CC1)=C2 ZINC001436051082 1065145291 /nfs/dbraw/zinc/14/52/91/1065145291.db2.gz UKVBSIFAVOYKES-UHFFFAOYSA-N 0 0 451.416 4.857 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC001436051423 1065145395 /nfs/dbraw/zinc/14/53/95/1065145395.db2.gz DDFJMVWMKCDSSM-GOSISDBHSA-N 0 0 457.415 4.686 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001436052421 1065146002 /nfs/dbraw/zinc/14/60/02/1065146002.db2.gz QZMLRVDYUNVYFJ-NBGIEHNGSA-N 0 0 452.636 4.536 20 0 JJADRN Cc1ccc(N(CCC(=O)N(C)c2cccc3cccnc32)S(=O)(=O)c2ccccc2)cc1 ZINC001436053198 1065146435 /nfs/dbraw/zinc/14/64/35/1065146435.db2.gz KMTOVDLVSGJRNY-UHFFFAOYSA-N 0 0 459.571 4.792 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)CCCNC(=O)OCc1ccccc1 ZINC001436053106 1065146491 /nfs/dbraw/zinc/14/64/91/1065146491.db2.gz JUVIBIIXIJUDOV-IBGZPJMESA-N 0 0 459.384 4.819 20 0 JJADRN COc1cc2c(cc1C(=O)NCc1ccc(Br)cc1Oc1ccccc1)OCO2 ZINC001360310331 1065147167 /nfs/dbraw/zinc/14/71/67/1065147167.db2.gz BUOOHXAVYGAEDM-UHFFFAOYSA-N 0 0 456.292 4.909 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC001436054456 1065147482 /nfs/dbraw/zinc/14/74/82/1065147482.db2.gz SCHPYJFOSAPYGR-JXMROGBWSA-N 0 0 454.983 4.693 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1ccn(CC(F)(F)F)n1 ZINC001360311034 1065147734 /nfs/dbraw/zinc/14/77/34/1065147734.db2.gz NLBLWCACKIIAPA-UHFFFAOYSA-N 0 0 454.246 4.930 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C)Oc2ccc(Br)cc21 ZINC001436056321 1065149208 /nfs/dbraw/zinc/14/92/08/1065149208.db2.gz JSZROHUSSMVGLK-NWDGAFQWSA-N 0 0 455.146 4.793 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001360316944 1065149906 /nfs/dbraw/zinc/14/99/06/1065149906.db2.gz BWFHTEMKBLJQLK-BEFAXECRSA-N 0 0 455.860 4.808 20 0 JJADRN Cc1cc(=O)c(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001360317246 1065150464 /nfs/dbraw/zinc/15/04/64/1065150464.db2.gz MXTMJLKWGTTYHO-GOSISDBHSA-N 0 0 454.807 4.664 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 ZINC001436058212 1065150515 /nfs/dbraw/zinc/15/05/15/1065150515.db2.gz XEWLXZVISYCWKK-RUZDIDTESA-N 0 0 458.599 4.659 20 0 JJADRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1C(=O)N(C)C(C)C ZINC001436059104 1065150555 /nfs/dbraw/zinc/15/05/55/1065150555.db2.gz IVIYRURAVHNTCK-UHFFFAOYSA-N 0 0 458.971 4.910 20 0 JJADRN CCN(C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317465 1065151139 /nfs/dbraw/zinc/15/11/39/1065151139.db2.gz UKLFTRMBJCYNCH-NYHFZMIOSA-N 0 0 453.505 4.506 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)s1 ZINC001360317664 1065151206 /nfs/dbraw/zinc/15/12/06/1065151206.db2.gz BCKOZSSMMHKZHJ-UHFFFAOYSA-N 0 0 454.939 4.932 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001360318281 1065151984 /nfs/dbraw/zinc/15/19/84/1065151984.db2.gz QTNJHMZBDBSVQW-UHFFFAOYSA-N 0 0 455.555 4.521 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001360317926 1065152109 /nfs/dbraw/zinc/15/21/09/1065152109.db2.gz DJIBPFFYSVYKFV-UZUQRXQVSA-N 0 0 458.961 4.634 20 0 JJADRN Cc1c(C(=O)NCc2cc(Br)ccc2OC(F)F)cnn1-c1cccc(C)c1 ZINC001360318216 1065152119 /nfs/dbraw/zinc/15/21/19/1065152119.db2.gz IWEVYUOMJDAEPO-UHFFFAOYSA-N 0 0 450.283 4.783 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c(Br)c1 ZINC001436059908 1065152141 /nfs/dbraw/zinc/15/21/41/1065152141.db2.gz FCURMDHWEQXCRI-WMLDXEAASA-N 0 0 453.174 4.961 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC001436060948 1065152592 /nfs/dbraw/zinc/15/25/92/1065152592.db2.gz FIINFUSEUCPYOE-GOSISDBHSA-N 0 0 453.354 4.702 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001436060667 1065152746 /nfs/dbraw/zinc/15/27/46/1065152746.db2.gz RVOXDVFBAYJKCP-KRWDZBQOSA-N 0 0 453.539 4.752 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001360318833 1065152770 /nfs/dbraw/zinc/15/27/70/1065152770.db2.gz WVOYLLMCVDOPMZ-CQSZACIVSA-N 0 0 454.375 4.864 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCc2ccsc2)CCOC1 ZINC001360319063 1065152789 /nfs/dbraw/zinc/15/27/89/1065152789.db2.gz CDXRUIGJAWSOKY-UUOWRZLLSA-N 0 0 456.612 4.526 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001436062943 1065153996 /nfs/dbraw/zinc/15/39/96/1065153996.db2.gz SAJCDZUVQCKLLM-HUUCEWRRSA-N 0 0 457.796 4.751 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccco3)n2Cc2ccccc2Br)CCOC1 ZINC001360319466 1065154052 /nfs/dbraw/zinc/15/40/52/1065154052.db2.gz IICYGJDWRQGORP-UZUQRXQVSA-N 0 0 489.414 4.920 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@@H]2CSCCS2)CCOC1 ZINC001360319470 1065154137 /nfs/dbraw/zinc/15/41/37/1065154137.db2.gz IJFYKULIIGMLEA-YZZKKUAISA-N 0 0 480.675 4.504 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC001436063329 1065154012 /nfs/dbraw/zinc/15/40/12/1065154012.db2.gz UZZFRVOIZJYEBD-UHFFFAOYSA-N 0 0 456.861 4.530 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@](C)(O)c2ccsc2)CCOC1 ZINC001360319874 1065154832 /nfs/dbraw/zinc/15/48/32/1065154832.db2.gz OCNIXPFTOPGZRM-RIEVBORMSA-N 0 0 488.629 4.624 20 0 JJADRN CC1(C)C[C@@H](OC(=O)c2cccc(C(=O)N3CCCC3)n2)c2cc(Br)ccc2O1 ZINC001436064593 1065154917 /nfs/dbraw/zinc/15/49/17/1065154917.db2.gz OCGKYDJSHJGMQA-LJQANCHMSA-N 0 0 459.340 4.539 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CCc3ccc(O)cc3)n2C[C@@H]2CC[C@H](F)C2)CCOC1 ZINC001360320071 1065155552 /nfs/dbraw/zinc/15/55/52/1065155552.db2.gz RHERYJHPCSLFRJ-VABHDBBGSA-N 0 0 474.621 4.620 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2CC(F)(F)Br)CCOC1 ZINC001360320056 1065155560 /nfs/dbraw/zinc/15/55/60/1065155560.db2.gz RDNDMWOPEDDNMH-BEFAXECRSA-N 0 0 473.362 4.504 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[C@@H]2CCCCO2)CCOC1 ZINC001360320159 1065155618 /nfs/dbraw/zinc/15/56/18/1065155618.db2.gz SVNGLLNKALWRFE-OHUGHZGNSA-N 0 0 460.594 4.614 20 0 JJADRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)c2cnn(C)c2I)c1 ZINC001436065203 1065155621 /nfs/dbraw/zinc/15/56/21/1065155621.db2.gz SFIBKBJDQMVXJB-UHFFFAOYSA-N 0 0 451.695 4.906 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Br)cs3)n2CC2(C)CC2)CCOC1 ZINC001360320627 1065157158 /nfs/dbraw/zinc/15/71/58/1065157158.db2.gz CVUBYXSYYVWZIW-FQEVSTJZSA-N 0 0 469.449 4.579 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cc(Cl)c(C)cc2Br)[C@H](C)S(C)(=O)=O)cc1 ZINC001436069897 1065158926 /nfs/dbraw/zinc/15/89/26/1065158926.db2.gz NQYLVMDGSLJCFU-SCLBCKFNSA-N 0 0 458.805 4.624 20 0 JJADRN Cc1c2occ(CC(=O)NCc3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)c2ccc1Cl ZINC001436070218 1065158966 /nfs/dbraw/zinc/15/89/66/1065158966.db2.gz NBCIKWVUMGEFDH-UHFFFAOYSA-N 0 0 459.873 4.676 20 0 JJADRN CC(C)c1noc2ncc(C(=O)NCc3ccc(Cl)cc3I)cc21 ZINC001436070311 1065158986 /nfs/dbraw/zinc/15/89/86/1065158986.db2.gz PGWDJHRMTMJGMS-UHFFFAOYSA-N 0 0 455.683 4.534 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C3CCCCC3)n2Cc2nc(C(F)(F)F)cs2)CCOC1 ZINC001360321750 1065159363 /nfs/dbraw/zinc/15/93/63/1065159363.db2.gz NZGORDQFMQURSD-FQEVSTJZSA-N 0 0 473.565 4.611 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001436070935 1065159543 /nfs/dbraw/zinc/15/95/43/1065159543.db2.gz VEQOQHDGZGLOQB-OAHLLOKOSA-N 0 0 455.723 4.690 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2cccc(NC(=O)C3CCCC3)c2)CCOC1 ZINC001360322425 1065160058 /nfs/dbraw/zinc/16/00/58/1065160058.db2.gz XBMZQRODWKUPLV-NDEPHWFRSA-N 0 0 497.684 4.978 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC(C)(C)C)n2Cc2c(F)cccc2N2CCCC2)CCOC1 ZINC001360322451 1065160104 /nfs/dbraw/zinc/16/01/04/1065160104.db2.gz XMPSXAQXHLUHMT-SANMLTNESA-N 0 0 473.637 4.589 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(F)cc1Cl ZINC001436071868 1065160173 /nfs/dbraw/zinc/16/01/73/1065160173.db2.gz DDXVBSOHRFECKF-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CCc2ccncc2)CCOC1 ZINC001360323485 1065160694 /nfs/dbraw/zinc/16/06/94/1065160694.db2.gz DWURLOIIYGJOGC-DEOSSOPVSA-N 0 0 489.542 4.612 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NCC2([S@@](C)=O)CCC2)c2nc3ccccc3s2)c1 ZINC001436072065 1065160953 /nfs/dbraw/zinc/16/09/53/1065160953.db2.gz PGPRWEDXTAGKDE-RKFDIGNSSA-N 0 0 454.617 4.653 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)/C(C)=C/c1ccc(C)cc1 ZINC001436072299 1065161054 /nfs/dbraw/zinc/16/10/54/1065161054.db2.gz FUNREYMDWDLYBH-MDWZMJQESA-N 0 0 455.723 4.981 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001436072209 1065161075 /nfs/dbraw/zinc/16/10/75/1065161075.db2.gz FNLGHWARYCEUIH-NIUUYTMRSA-N 0 0 451.564 4.517 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360323671 1065161298 /nfs/dbraw/zinc/16/12/98/1065161298.db2.gz GPVBQRNDCGUIRE-HOYKHHGWSA-N 0 0 474.602 4.623 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cn(-c4ccc(Cl)cc4)nn3)CCCCC2)cc1OC ZINC001360323491 1065161401 /nfs/dbraw/zinc/16/14/01/1065161401.db2.gz AFZIZPRRQXIFTD-UHFFFAOYSA-N 0 0 454.958 4.570 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)CCOC1 ZINC001360324098 1065162273 /nfs/dbraw/zinc/16/22/73/1065162273.db2.gz LXSVRDRIVYBCOP-RPLLCQBOSA-N 0 0 481.616 4.929 20 0 JJADRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001436073270 1065162378 /nfs/dbraw/zinc/16/23/78/1065162378.db2.gz WIGJPXYSOORQEX-HXUWFJFHSA-N 0 0 454.439 4.935 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CCCS2)CCOC1 ZINC001360324314 1065162696 /nfs/dbraw/zinc/16/26/96/1065162696.db2.gz NNHHSRUUZGZHHU-KNQAVFIVSA-N 0 0 495.487 4.613 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)Nc3cc(F)c(Br)cc3Cl)cc2C1=O ZINC001436074034 1065163016 /nfs/dbraw/zinc/16/30/16/1065163016.db2.gz QPEGEPVHSLXKGS-UHFFFAOYSA-N 0 0 453.695 4.890 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc(OC4CCOCC4)cc3)CCCCC2)cc1OC ZINC001360324458 1065163656 /nfs/dbraw/zinc/16/36/56/1065163656.db2.gz VUSQKSNPJKHXIW-UHFFFAOYSA-N 0 0 453.579 4.894 20 0 JJADRN O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001436075555 1065163869 /nfs/dbraw/zinc/16/38/69/1065163869.db2.gz HCTFJQVUESRASB-LJQANCHMSA-N 0 0 451.311 4.541 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1nc(Br)sc1C1CC1)C1CCCC1 ZINC001436076005 1065164496 /nfs/dbraw/zinc/16/44/96/1065164496.db2.gz CKWQTJCWUNRQLK-ZDUSSCGKSA-N 0 0 458.422 4.596 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@]2(C)CCCS2)CCOC1 ZINC001360324710 1065164833 /nfs/dbraw/zinc/16/48/33/1065164833.db2.gz RGASSFZVTZVJDE-ZEQRLZLVSA-N 0 0 496.624 4.842 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@]2(C)CCCS2)CCOC1 ZINC001360324785 1065164849 /nfs/dbraw/zinc/16/48/49/1065164849.db2.gz RXGJVGGCKRYFSF-RTWAWAEBSA-N 0 0 471.092 4.956 20 0 JJADRN Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)nc1-c1ccccc1 ZINC001436077461 1065165264 /nfs/dbraw/zinc/16/52/64/1065165264.db2.gz CPSYMUFFJLCSSW-UHFFFAOYSA-N 0 0 458.543 4.529 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Br)cc3)n2CC2(C)CC2)CCOC1 ZINC001360324877 1065165776 /nfs/dbraw/zinc/16/57/76/1065165776.db2.gz UHRUQPSXSRJQBR-JOCHJYFZSA-N 0 0 463.420 4.518 20 0 JJADRN Cc1ccc(C2(C(=O)N3C[C@H](C)O[C@@]4(CCCOC4)C3)CCCCC2)c(Br)c1 ZINC001436078313 1065165956 /nfs/dbraw/zinc/16/59/56/1065165956.db2.gz OZSXBVSLVILKMV-AVRDEDQJSA-N 0 0 450.417 4.756 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@H]2CCC=CO2)CCOC1 ZINC001360325014 1065166249 /nfs/dbraw/zinc/16/62/49/1065166249.db2.gz WJBPZHKNEIPHGH-XXBNENTESA-N 0 0 480.531 4.667 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C1CCCC1 ZINC001436079051 1065166446 /nfs/dbraw/zinc/16/64/46/1065166446.db2.gz TYBSUUQQJXQQNL-FQEVSTJZSA-N 0 0 451.007 4.588 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)ccc1Br ZINC001436080098 1065167118 /nfs/dbraw/zinc/16/71/18/1065167118.db2.gz RUXRPYDHTNOEJM-SFHVURJKSA-N 0 0 456.789 4.792 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CCCC3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360325627 1065167437 /nfs/dbraw/zinc/16/74/37/1065167437.db2.gz JNPVDDGIWUHYAK-RUZDIDTESA-N 0 0 475.703 4.942 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2Cc2cc(Br)cs2)CCOC1 ZINC001360325718 1065167517 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ZINC001360329811 1065173037 /nfs/dbraw/zinc/17/30/37/1065173037.db2.gz DOEAVJRTUXTFJK-WFIHMLKPSA-N 0 0 488.648 4.934 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCc2ccc(O)cc2)CCOC1 ZINC001360329672 1065173096 /nfs/dbraw/zinc/17/30/96/1065173096.db2.gz BMKKFMYTKQVZCO-FNZWTVRRSA-N 0 0 456.631 4.672 20 0 JJADRN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001436090346 1065173397 /nfs/dbraw/zinc/17/33/97/1065173397.db2.gz IXSQPDJLEWXFNH-NZQKXSOJSA-N 0 0 452.599 4.732 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCOc3ccc(Cl)cc3)n2Cc2ccsc2)CCOC1 ZINC001360330109 1065173761 /nfs/dbraw/zinc/17/37/61/1065173761.db2.gz HSPWQPBTFRQZPV-QHCPKHFHSA-N 0 0 477.030 4.597 20 0 JJADRN O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1cccnc1Oc1cccc(Br)c1 ZINC001436090915 1065174116 /nfs/dbraw/zinc/17/41/16/1065174116.db2.gz NKYNQKCYHDNZLX-UHFFFAOYSA-N 0 0 454.259 4.813 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)s2)cc1OC ZINC001360330452 1065174336 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CC(C)O[C@@]1(c2nnc(N3CC[C@H](C(C)C)C3)n2CCNc2ncc(Cl)cc2Cl)CCOC1 ZINC001360335987 1065183469 /nfs/dbraw/zinc/18/34/69/1065183469.db2.gz LSKQSCXBUJBLIQ-SBUREZEXSA-N 0 0 497.471 4.615 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)ccn1 ZINC001436107130 1065183684 /nfs/dbraw/zinc/18/36/84/1065183684.db2.gz LCJAVPRTJCXAGF-INIZCTEOSA-N 0 0 451.401 4.708 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCOc2ccc(Cl)cc2)CCOC1 ZINC001360336077 1065184209 /nfs/dbraw/zinc/18/42/09/1065184209.db2.gz MZPWUVRPRWFHSC-KBMIEXCESA-N 0 0 477.049 4.924 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC001436108991 1065184389 /nfs/dbraw/zinc/18/43/89/1065184389.db2.gz DMKPMYCBDDRLRY-GOTSBHOMSA-N 0 0 457.954 4.807 20 0 JJADRN C[C@@]1(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCN(C(=O)OCc2ccccc2)C1 ZINC001436109080 1065184393 /nfs/dbraw/zinc/18/43/93/1065184393.db2.gz GSLGKHYMTPVTJM-HSZRJFAPSA-N 0 0 457.502 4.619 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2ccccc2Cl)CCOC1 ZINC001360336487 1065184787 /nfs/dbraw/zinc/18/47/87/1065184787.db2.gz SSYLXALHEHYBHB-JOCHJYFZSA-N 0 0 486.966 4.994 20 0 JJADRN CCCOc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1OCCC ZINC001436109299 1065184871 /nfs/dbraw/zinc/18/48/71/1065184871.db2.gz ICQIUPBCRPQYJZ-AREMUKBSSA-N 0 0 454.567 4.795 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001436109575 1065184906 /nfs/dbraw/zinc/18/49/06/1065184906.db2.gz IXWWREPPLNGVNM-UHFFFAOYSA-N 0 0 455.755 4.887 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001436110158 1065185573 /nfs/dbraw/zinc/18/55/73/1065185573.db2.gz LOEOPHIYKGTUBM-SBUREZEXSA-N 0 0 459.384 4.545 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2cccc(OCC(F)(F)F)c2)CCOC1 ZINC001360336648 1065185637 /nfs/dbraw/zinc/18/56/37/1065185637.db2.gz VWWXPJUFQXWEJB-IUKKYPGJSA-N 0 0 482.547 4.543 20 0 JJADRN COc1cc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)ccc1OCCC(C)C 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RZEHLQHJVQIMCC-GFCCVEGCSA-N 0 0 459.207 4.740 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)cn1 ZINC001360354359 1065202639 /nfs/dbraw/zinc/20/26/39/1065202639.db2.gz LWPGBUOALUVHBB-UHFFFAOYSA-N 0 0 495.933 4.723 20 0 JJADRN CC(C)Oc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H]2CCCOC2)cn1 ZINC001360354331 1065202710 /nfs/dbraw/zinc/20/27/10/1065202710.db2.gz KYBPIAJAOHHRNJ-LJQANCHMSA-N 0 0 455.990 4.692 20 0 JJADRN CCc1nc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)c(C)o1 ZINC001436130491 1065203173 /nfs/dbraw/zinc/20/31/73/1065203173.db2.gz ASRCELOYSVPVQF-KRWDZBQOSA-N 0 0 453.402 4.725 20 0 JJADRN CC(C)Oc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC(C)(C)C)cn1 ZINC001360354537 1065203293 /nfs/dbraw/zinc/20/32/93/1065203293.db2.gz RVPCXJIBBGWLIH-UHFFFAOYSA-N 0 0 485.032 4.574 20 0 JJADRN COc1ccc(Br)c(CC(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 ZINC001436131337 1065204288 /nfs/dbraw/zinc/20/42/88/1065204288.db2.gz QSYHXWXJBVUPNX-OAHLLOKOSA-N 0 0 457.187 4.726 20 0 JJADRN CCCC[C@@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC001436131899 1065204320 /nfs/dbraw/zinc/20/43/20/1065204320.db2.gz VTOQLHXPRUTGRQ-OAQYLSRUSA-N 0 0 452.414 4.829 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)c2)C1 ZINC001436131943 1065204497 /nfs/dbraw/zinc/20/44/97/1065204497.db2.gz ZEGBZGLOSDTEHK-DNGCBJQESA-N 0 0 458.599 4.558 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O[C@@H]3COc4cc(Cl)ccc43)cc2)cc1 ZINC001436132546 1065204771 /nfs/dbraw/zinc/20/47/71/1065204771.db2.gz CQTFSYPKXOXXFI-JOCHJYFZSA-N 0 0 457.935 4.764 20 0 JJADRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)/C=C/Sc1cc(F)ccc1F ZINC001436132613 1065204800 /nfs/dbraw/zinc/20/48/00/1065204800.db2.gz QQNKNIIXPIZTSM-BQYQJAHWSA-N 0 0 456.308 4.535 20 0 JJADRN CO[C@H](C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1)C1CCCC1 ZINC001436132188 1065204830 /nfs/dbraw/zinc/20/48/30/1065204830.db2.gz PRLPQJZIMGGEMJ-UXHICEINSA-N 0 0 456.446 4.757 20 0 JJADRN 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ZINC001360357382 1065208372 /nfs/dbraw/zinc/20/83/72/1065208372.db2.gz ICOXSWKJOSVQKF-DEOSSOPVSA-N 0 0 477.653 4.935 20 0 JJADRN CC1CCN(c2ccc(C(=O)NCc3nc(-c4cccc(Br)c4)no3)cc2)CC1 ZINC001436137478 1065208724 /nfs/dbraw/zinc/20/87/24/1065208724.db2.gz IUDZFNZENCXEJL-UHFFFAOYSA-N 0 0 455.356 4.665 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001360357661 1065208878 /nfs/dbraw/zinc/20/88/78/1065208878.db2.gz VSIDGWWDVBLRMX-OSPHWJPCSA-N 0 0 459.612 4.630 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001360357660 1065208904 /nfs/dbraw/zinc/20/89/04/1065208904.db2.gz VSIDGWWDVBLRMX-MZNJEOGPSA-N 0 0 459.612 4.630 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cnc(-c2ccccc2F)s1 ZINC001436138446 1065209155 /nfs/dbraw/zinc/20/91/55/1065209155.db2.gz OWBOJFZNHZBIDO-UHFFFAOYSA-N 0 0 459.300 4.692 20 0 JJADRN CC(C)C[C@](C)(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001436139650 1065209843 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450.631 4.820 20 0 JJADRN CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 ZINC001360358150 1065210528 /nfs/dbraw/zinc/21/05/28/1065210528.db2.gz YRGNPNPPOIDDLI-NRFANRHFSA-N 0 0 450.631 4.820 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c(Br)c1 ZINC001360359120 1065210867 /nfs/dbraw/zinc/21/08/67/1065210867.db2.gz XZCVITQCHNQXRK-UHFFFAOYSA-N 0 0 455.356 4.624 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001360359002 1065210928 /nfs/dbraw/zinc/21/09/28/1065210928.db2.gz UTHMAEXRSAMANJ-UHFFFAOYSA-N 0 0 454.464 4.612 20 0 JJADRN CC(C)[C@@H](CNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1Cl ZINC001360358650 1065210934 /nfs/dbraw/zinc/21/09/34/1065210934.db2.gz LFMZEXBYCGSVDQ-LZQZEXGQSA-N 0 0 459.414 4.607 20 0 JJADRN C[C@@H](CNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)Oc1ccccc1 ZINC001360359246 1065211021 /nfs/dbraw/zinc/21/10/21/1065211021.db2.gz BJLYSMOEHFXLRP-INIZCTEOSA-N 0 0 450.348 4.511 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(C3CCCC3)n2CC(=O)NC2CCCCC2)c1 ZINC001360359338 1065211373 /nfs/dbraw/zinc/21/13/73/1065211373.db2.gz AYBGLAHKPHGREK-UHFFFAOYSA-N 0 0 453.631 4.808 20 0 JJADRN C[C@H](CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)Oc1ccccc1 ZINC001360359263 1065211407 /nfs/dbraw/zinc/21/14/07/1065211407.db2.gz BVWSYTXSGLCJJW-MRXNPFEDSA-N 0 0 454.368 4.711 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2cccnc2-n2cccn2)c1 ZINC001360359382 1065211438 /nfs/dbraw/zinc/21/14/38/1065211438.db2.gz CFGAJIUIXZQMIL-UHFFFAOYSA-N 0 0 473.625 4.919 20 0 JJADRN Cc1cc(=O)c(C(=O)OCc2ncc(C(C)(C)C)s2)nn1-c1ccccc1C(F)(F)F ZINC001436141995 1065211387 /nfs/dbraw/zinc/21/13/87/1065211387.db2.gz UKCBHANEBQEGKL-UHFFFAOYSA-N 0 0 451.470 4.671 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)c1 ZINC001360359771 1065212076 /nfs/dbraw/zinc/21/20/76/1065212076.db2.gz JVDUQCXVJOLKPS-AIUHUKMKSA-N 0 0 486.657 4.557 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001360359772 1065212117 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QTYLJJJDVXCLMJ-JOCHJYFZSA-N 0 0 492.668 4.926 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)c2nccs2)c1 ZINC001360360229 1065213343 /nfs/dbraw/zinc/21/33/43/1065213343.db2.gz QTZGXKQVPNOCPR-IBGZPJMESA-N 0 0 462.623 4.948 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2(O)CC2)c1 ZINC001360360265 1065213666 /nfs/dbraw/zinc/21/36/66/1065213666.db2.gz RQASAKINZCRQTE-UHFFFAOYSA-N 0 0 477.428 4.718 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001436147606 1065213728 /nfs/dbraw/zinc/21/37/28/1065213728.db2.gz YOFHZGOUDDDRFU-ODXCJYRJSA-N 0 0 479.400 4.696 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001360360253 1065213810 /nfs/dbraw/zinc/21/38/10/1065213810.db2.gz RIGCBEDJZPWZMO-ATIYNZHBSA-N 0 0 463.626 4.749 20 0 JJADRN CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2c(cccc2Cl)s1 ZINC001436148966 1065214423 /nfs/dbraw/zinc/21/44/23/1065214423.db2.gz UTNDLYLBHLOBKJ-AWEZNQCLSA-N 0 0 452.388 4.781 20 0 JJADRN CC(C)Oc1ccc(Cn2c(N3CCO[C@@H](c4cccc(F)c4)C3)nnc2C(C)(C)C)cn1 ZINC001360360653 1065214517 /nfs/dbraw/zinc/21/45/17/1065214517.db2.gz YDIBCHIMNVJPDR-OAQYLSRUSA-N 0 0 453.562 4.523 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N3CCC[C@H](Oc4ncccc4F)C3)CC2(Cl)Cl)cc1 ZINC001436149132 1065215124 /nfs/dbraw/zinc/21/51/24/1065215124.db2.gz VOOHFYNZOGEUNN-LAUBAEHRSA-N 0 0 453.341 4.505 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360361189 1065214972 /nfs/dbraw/zinc/21/49/72/1065214972.db2.gz IBRGMFNUZSEAFF-HXUWFJFHSA-N 0 0 480.531 4.703 20 0 JJADRN CC(C)Oc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360361188 1065214982 /nfs/dbraw/zinc/21/49/82/1065214982.db2.gz IBRGMFNUZSEAFF-FQEVSTJZSA-N 0 0 480.531 4.703 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)CC2)n1CCCc1c[nH]c2ccccc12 ZINC001545895787 1065215582 /nfs/dbraw/zinc/21/55/82/1065215582.db2.gz FRXFAINPRDDELA-MHZLTWQESA-N 0 0 480.657 4.706 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001436150006 1065215594 /nfs/dbraw/zinc/21/55/94/1065215594.db2.gz JWLCWERNNFIUFI-QHCPKHFHSA-N 0 0 458.599 4.671 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccs2)c1 ZINC001360361235 1065215584 /nfs/dbraw/zinc/21/55/84/1065215584.db2.gz JOHNKPISBJAOHC-SANMLTNESA-N 0 0 477.634 4.657 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001360361353 1065215657 /nfs/dbraw/zinc/21/56/57/1065215657.db2.gz MTBRUVIYOCWYKG-SFHVURJKSA-N 0 0 460.538 4.551 20 0 JJADRN CO[C@@]1(C)CCCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 ZINC001436150590 1065216101 /nfs/dbraw/zinc/21/61/01/1065216101.db2.gz INBVILZOWOJZBK-QHCPKHFHSA-N 0 0 459.384 4.662 20 0 JJADRN CC(C)Oc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CCSC(F)(F)F)c1 ZINC001360361753 1065216189 /nfs/dbraw/zinc/21/61/89/1065216189.db2.gz ZKPOHKWETCSZQW-UHFFFAOYSA-N 0 0 465.545 4.941 20 0 JJADRN Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001436151179 1065216549 /nfs/dbraw/zinc/21/65/49/1065216549.db2.gz GTGPWADYQBLUHD-HXUWFJFHSA-N 0 0 456.340 4.865 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001360361825 1065216673 /nfs/dbraw/zinc/21/66/73/1065216673.db2.gz BHEDONNRRKBLQO-HFZDXXHNSA-N 0 0 488.698 4.893 20 0 JJADRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001436152053 1065217075 /nfs/dbraw/zinc/21/70/75/1065217075.db2.gz NPAUCIASSHNUIB-UHFFFAOYSA-N 0 0 457.889 4.549 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)CC2=O)c(C)c1 ZINC001360362250 1065217827 /nfs/dbraw/zinc/21/78/27/1065217827.db2.gz AUFHRPZCTLBNNU-SFHVURJKSA-N 0 0 454.933 4.641 20 0 JJADRN CC(C)Oc1ccccc1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360362399 1065218257 /nfs/dbraw/zinc/21/82/57/1065218257.db2.gz QAJDJQJXRLSBNU-YLJYHZDGSA-N 0 0 459.516 4.734 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)nc1 ZINC001360362768 1065218779 /nfs/dbraw/zinc/21/87/79/1065218779.db2.gz JQGGHBUMJDYHRR-UHFFFAOYSA-N 0 0 459.909 4.647 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)[C@@H]2CCCc3nn(C)cc32)cc1 ZINC001436155677 1065219452 /nfs/dbraw/zinc/21/94/52/1065219452.db2.gz SIALSCLFXFOHLW-CQSZACIVSA-N 0 0 458.381 4.842 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C2)s1 ZINC001436156472 1065219469 /nfs/dbraw/zinc/21/94/69/1065219469.db2.gz AICTYARFLKVBMJ-NSHDSACASA-N 0 0 451.372 4.542 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001360363730 1065219833 /nfs/dbraw/zinc/21/98/33/1065219833.db2.gz CMDSNTXUTKVTFC-GOEBONIOSA-N 0 0 454.388 4.568 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001360363685 1065219867 /nfs/dbraw/zinc/21/98/67/1065219867.db2.gz BTZSGXBICGYMLI-UHFFFAOYSA-N 0 0 461.488 4.523 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N(C)Cc3ccc(Br)cc3Cl)cc2)C[C@H](C)O1 ZINC001436157673 1065220421 /nfs/dbraw/zinc/22/04/21/1065220421.db2.gz ULIJGEWQRDTMHM-GASCZTMLSA-N 0 0 451.792 4.988 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N(C)Cc3ccc(Br)cc3Cl)cc2)C[C@@H](C)O1 ZINC001436157676 1065220444 /nfs/dbraw/zinc/22/04/44/1065220444.db2.gz ULIJGEWQRDTMHM-HUUCEWRRSA-N 0 0 451.792 4.988 20 0 JJADRN O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001436158555 1065221048 /nfs/dbraw/zinc/22/10/48/1065221048.db2.gz ONNSAVMUVLCDQY-LBPRGKRZSA-N 0 0 454.253 4.541 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001360364132 1065221129 /nfs/dbraw/zinc/22/11/29/1065221129.db2.gz JPLIZJQADFSICG-GOSISDBHSA-N 0 0 485.373 4.526 20 0 JJADRN CCn1c(CNC(=O)COc2cc(C)c(Cl)c(C)c2)nc2cc(Br)ccc21 ZINC001436160323 1065221557 /nfs/dbraw/zinc/22/15/57/1065221557.db2.gz HKROLOAMSPEDGT-UHFFFAOYSA-N 0 0 450.764 4.784 20 0 JJADRN CCn1c(CNC(=O)c2ccc(Br)c(C)c2)nc2cc(Br)ccc21 ZINC001436160140 1065221585 /nfs/dbraw/zinc/22/15/85/1065221585.db2.gz DOIIKZSRZKNTKD-UHFFFAOYSA-N 0 0 451.162 4.820 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360364235 1065221610 /nfs/dbraw/zinc/22/16/10/1065221610.db2.gz LUFRGMILBOAFNO-QGZVFWFLSA-N 0 0 485.982 4.877 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1cc(-n3cccn3)ccc1C)N2C(=O)OC(C)(C)C ZINC001436161179 1065222169 /nfs/dbraw/zinc/22/21/69/1065222169.db2.gz OFEUBLDGINYVPV-JOCHJYFZSA-N 0 0 450.514 4.933 20 0 JJADRN O=C(NCc1ccc(NC(=O)C(F)(F)c2nccs2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360365170 1065223298 /nfs/dbraw/zinc/22/32/98/1065223298.db2.gz RVXGRZPFIKVAAG-UHFFFAOYSA-N 0 0 455.408 4.822 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ncnc3ccsc32)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360365408 1065223332 /nfs/dbraw/zinc/22/33/32/1065223332.db2.gz VCSSTZBPCCDMPV-UHFFFAOYSA-N 0 0 456.449 4.892 20 0 JJADRN CON(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001436163041 1065223314 /nfs/dbraw/zinc/22/33/14/1065223314.db2.gz GSYGURYWFALEFS-UHFFFAOYSA-N 0 0 452.360 4.870 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001436162918 1065223346 /nfs/dbraw/zinc/22/33/46/1065223346.db2.gz FNELEFCMCAIRMQ-QFIPXVFZSA-N 0 0 454.567 4.747 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1Br ZINC001436163276 1065223393 /nfs/dbraw/zinc/22/33/93/1065223393.db2.gz XJEYXTQWJYXBJK-UHFFFAOYSA-N 0 0 459.321 4.802 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC001360365844 1065223678 /nfs/dbraw/zinc/22/36/78/1065223678.db2.gz CEGAWMYAQBMFRH-ZFGGDYGUSA-N 0 0 454.636 4.509 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC001360365842 1065223797 /nfs/dbraw/zinc/22/37/97/1065223797.db2.gz CEGAWMYAQBMFRH-IMSXRSKXSA-N 0 0 454.636 4.509 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC001436164138 1065223878 /nfs/dbraw/zinc/22/38/78/1065223878.db2.gz KYMGFDHFWRVOSM-LJQANCHMSA-N 0 0 454.596 4.869 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001360365533 1065223898 /nfs/dbraw/zinc/22/38/98/1065223898.db2.gz WWOJTZFIFMCRTB-JOCHJYFZSA-N 0 0 456.631 4.539 20 0 JJADRN O=C(O[C@@H]1CCOc2c(F)cc(F)cc21)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001436164568 1065224428 /nfs/dbraw/zinc/22/44/28/1065224428.db2.gz NWBJVULUTRDSCI-MRXNPFEDSA-N 0 0 459.758 4.898 20 0 JJADRN O=C(c1cc(Br)cc(Br)c1)N1CCCN(c2ccccc2F)CC1 ZINC001436165393 1065224507 /nfs/dbraw/zinc/22/45/07/1065224507.db2.gz IURNDNIABCDQQA-UHFFFAOYSA-N 0 0 456.153 4.703 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC001436165462 1065224903 /nfs/dbraw/zinc/22/49/03/1065224903.db2.gz CQGZHZAGANPVRI-ZRGWGRIASA-N 0 0 451.995 4.698 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3cccnc3)n2CCSCc2ccccc2F)CC1 ZINC001360366470 1065224877 /nfs/dbraw/zinc/22/48/77/1065224877.db2.gz CSRJAWNJDNBKCB-UHFFFAOYSA-N 0 0 469.630 4.730 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360366422 1065224891 /nfs/dbraw/zinc/22/48/91/1065224891.db2.gz BJLXOYNWFGFTIN-UHFFFAOYSA-N 0 0 463.667 4.662 20 0 JJADRN CC(C)OC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001360366677 1065225074 /nfs/dbraw/zinc/22/50/74/1065225074.db2.gz GCKFCMGHOAMKIC-UHFFFAOYSA-N 0 0 492.020 4.504 20 0 JJADRN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC001436166822 1065225389 /nfs/dbraw/zinc/22/53/89/1065225389.db2.gz UMWRVSANEDZDAI-OALUTQOASA-N 0 0 458.933 4.553 20 0 JJADRN CC[C@H](C)[C@H](C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)N1C(=O)c2ccccc2C1=O ZINC001436166879 1065225403 /nfs/dbraw/zinc/22/54/03/1065225403.db2.gz KGJOGMUCJMPPFF-HOOSLVGPSA-N 0 0 457.530 4.762 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001436166617 1065225416 /nfs/dbraw/zinc/22/54/16/1065225416.db2.gz UFWWLAJOEVDXIX-QFIPXVFZSA-N 0 0 455.530 4.551 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360366908 1065225383 /nfs/dbraw/zinc/22/53/83/1065225383.db2.gz MNCPKOKFEDHLKL-UHFFFAOYSA-N 0 0 490.624 4.738 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360366919 1065225515 /nfs/dbraw/zinc/22/55/15/1065225515.db2.gz MVPIOULQIPVABN-IBGZPJMESA-N 0 0 463.667 4.660 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001360366923 1065225530 /nfs/dbraw/zinc/22/55/30/1065225530.db2.gz MVPIOULQIPVABN-LJQANCHMSA-N 0 0 463.667 4.660 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360366785 1065225623 /nfs/dbraw/zinc/22/56/23/1065225623.db2.gz JJDHFAQKIHBQMB-AREMUKBSSA-N 0 0 476.612 4.872 20 0 JJADRN COc1cccc([C@@H]2[C@H](C(=O)NC[C@@H](c3ccc(Cl)cc3)C(C)C)CC(=O)N2C2CC2)c1 ZINC001436168229 1065225875 /nfs/dbraw/zinc/22/58/75/1065225875.db2.gz KRGAZPLQZGXCNI-VDKIKQQVSA-N 0 0 454.998 4.957 20 0 JJADRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001436167120 1065225900 /nfs/dbraw/zinc/22/59/00/1065225900.db2.gz ACUPYRIXNLEKAX-OAHLLOKOSA-N 0 0 451.283 4.597 20 0 JJADRN CC(C)OC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC=CCO2)CC1 ZINC001360367510 1065226499 /nfs/dbraw/zinc/22/64/99/1065226499.db2.gz IPCDISZTIRZPBX-XMMPIXPASA-N 0 0 468.642 4.894 20 0 JJADRN CC(C)OC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001360367621 1065226571 /nfs/dbraw/zinc/22/65/71/1065226571.db2.gz YGMGZGOKACOTEB-CTNGQTDRSA-N 0 0 477.694 4.906 20 0 JJADRN COC(=O)N1CCC(CNC(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)CC1 ZINC001436169641 1065226929 /nfs/dbraw/zinc/22/69/29/1065226929.db2.gz NPOVAAHZSLMRRH-UHFFFAOYSA-N 0 0 455.502 4.654 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1OC ZINC001436169753 1065227006 /nfs/dbraw/zinc/22/70/06/1065227006.db2.gz OIJWWUHOAIVYBG-UHFFFAOYSA-N 0 0 458.264 4.651 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)o1 ZINC001436169656 1065227088 /nfs/dbraw/zinc/22/70/88/1065227088.db2.gz NVPWVOIKGYBFOH-GSHUGGBRSA-N 0 0 458.555 4.631 20 0 JJADRN CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC001436170673 1065227526 /nfs/dbraw/zinc/22/75/26/1065227526.db2.gz RCOPJWROMJFQLD-KRWDZBQOSA-N 0 0 453.612 4.570 20 0 JJADRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001436169802 1065227539 /nfs/dbraw/zinc/22/75/39/1065227539.db2.gz PVLSJLVHJFCCAU-OAQYLSRUSA-N 0 0 451.592 4.879 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CCc1cccc(F)c1Br ZINC001436171585 1065227986 /nfs/dbraw/zinc/22/79/86/1065227986.db2.gz WIOVENROFCBSBM-PJIJBLCYSA-N 0 0 457.384 4.671 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CCc1cccc(F)c1Br ZINC001436171584 1065228101 /nfs/dbraw/zinc/22/81/01/1065228101.db2.gz WIOVENROFCBSBM-LPMFXHHGSA-N 0 0 457.384 4.671 20 0 JJADRN CNC(=O)COc1cccc(CNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)c1 ZINC001436172102 1065228145 /nfs/dbraw/zinc/22/81/45/1065228145.db2.gz XONRHTIZYDEXGS-UHFFFAOYSA-N 0 0 453.542 4.573 20 0 JJADRN CC(C)C[C@H](NC(=O)C(F)(F)c1ccccc1Br)C(=O)OCc1ccccc1 ZINC001360368512 1065228307 /nfs/dbraw/zinc/22/83/07/1065228307.db2.gz FRXRUISDZDCKTB-SFHVURJKSA-N 0 0 454.311 4.815 20 0 JJADRN CCOc1ccc(OCCCC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001436173483 1065229050 /nfs/dbraw/zinc/22/90/50/1065229050.db2.gz IJQWAFKOKIMOAD-HSZRJFAPSA-N 0 0 451.485 4.781 20 0 JJADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC001436173832 1065229218 /nfs/dbraw/zinc/22/92/18/1065229218.db2.gz IJKJYPFQUYQOGE-CVEARBPZSA-N 0 0 459.575 4.709 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CCO1 ZINC001360370641 1065229844 /nfs/dbraw/zinc/22/98/44/1065229844.db2.gz PEMCRQZFJNWCTH-RTWAWAEBSA-N 0 0 493.505 4.592 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCO1 ZINC001360370640 1065229943 /nfs/dbraw/zinc/22/99/43/1065229943.db2.gz PEMCRQZFJNWCTH-NHCUHLMSSA-N 0 0 493.505 4.592 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC(C)(C)c2cccs2)CCO1 ZINC001360370561 1065229952 /nfs/dbraw/zinc/22/99/52/1065229952.db2.gz NVLLPIZWPTXTAT-GOSISDBHSA-N 0 0 458.603 4.754 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CSCCS2)CCO1 ZINC001360370545 1065229995 /nfs/dbraw/zinc/22/99/95/1065229995.db2.gz NNVRDRNHWOSRHY-VXKWHMMOSA-N 0 0 490.739 4.721 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccncc2Cl)CCO1 ZINC001360370575 1065230013 /nfs/dbraw/zinc/23/00/13/1065230013.db2.gz OBCOOFIMALUDOS-JOCHJYFZSA-N 0 0 484.044 4.970 20 0 JJADRN CCc1c(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)onc1C(F)(F)F ZINC001436176640 1065230259 /nfs/dbraw/zinc/23/02/59/1065230259.db2.gz QZDOZLVOICRXFB-UHFFFAOYSA-N 0 0 451.405 4.956 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCO[C@H]2C(C)C)CCO1 ZINC001360371035 1065231227 /nfs/dbraw/zinc/23/12/27/1065231227.db2.gz WZWFYADSFBRTAZ-LZNRXBQRSA-N 0 0 497.467 4.943 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)c(C(C)(C)C)n2)cc1 ZINC001436177944 1065231335 /nfs/dbraw/zinc/23/13/35/1065231335.db2.gz YBJIFNWHAYUHGG-UHFFFAOYSA-N 0 0 454.521 4.845 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)n2)cc1 ZINC001360372401 1065231693 /nfs/dbraw/zinc/23/16/93/1065231693.db2.gz NBVVZGBSHXDXAW-VWLOTQADSA-N 0 0 458.603 4.848 20 0 JJADRN CC(C)c1cccc(O[C@@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)c2ccccc2)c1 ZINC001436179153 1065232079 /nfs/dbraw/zinc/23/20/79/1065232079.db2.gz HWRQKSWAFAWPEV-RUZDIDTESA-N 0 0 456.542 4.733 20 0 JJADRN C[C@@H](OC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(C(F)(F)F)nc1 ZINC001436179698 1065232163 /nfs/dbraw/zinc/23/21/63/1065232163.db2.gz OVXMFOLAVPHJKK-CYBMUJFWSA-N 0 0 459.449 4.843 20 0 JJADRN Cc1cc(I)cc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC001436180344 1065232624 /nfs/dbraw/zinc/23/26/24/1065232624.db2.gz ACEZTSMXTNVNSW-LBPRGKRZSA-N 0 0 451.333 4.909 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001360374780 1065232722 /nfs/dbraw/zinc/23/27/22/1065232722.db2.gz HASGTJLIEYAHTH-FPOVZHCZSA-N 0 0 495.089 4.669 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccsc2)CCO1 ZINC001360376241 1065233871 /nfs/dbraw/zinc/23/38/71/1065233871.db2.gz YVHZGSUAJVBECJ-IBGZPJMESA-N 0 0 479.071 4.964 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001360376410 1065234554 /nfs/dbraw/zinc/23/45/54/1065234554.db2.gz CKXUHFSBXXDSRY-UHFFFAOYSA-N 0 0 486.414 4.576 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001436182889 1065234613 /nfs/dbraw/zinc/23/46/13/1065234613.db2.gz PXAHMJXGDMFASK-GOSISDBHSA-N 0 0 455.356 4.515 20 0 JJADRN CCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2I)cc1Cl ZINC001436183258 1065235222 /nfs/dbraw/zinc/23/52/22/1065235222.db2.gz RUCCHZUWBMKAOF-UHFFFAOYSA-N 0 0 451.695 4.945 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360376526 1065235239 /nfs/dbraw/zinc/23/52/39/1065235239.db2.gz GNISMNAULUWSST-NRFANRHFSA-N 0 0 494.478 4.647 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)ccc1Cl ZINC001436183478 1065235779 /nfs/dbraw/zinc/23/57/79/1065235779.db2.gz ZWJRQLANCRQUSZ-IBGZPJMESA-N 0 0 450.029 4.842 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001360376594 1065235656 /nfs/dbraw/zinc/23/56/56/1065235656.db2.gz IQWLBHWMCXSQBY-IIBYNOLFSA-N 0 0 450.986 4.947 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCC(C)CC3)cs2)cc1 ZINC001436184717 1065236260 /nfs/dbraw/zinc/23/62/60/1065236260.db2.gz AGEOUQTVJHSNLO-LJQANCHMSA-N 0 0 457.596 4.682 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001360376926 1065237048 /nfs/dbraw/zinc/23/70/48/1065237048.db2.gz RXFOBRWQITYLSO-GGAORHGYSA-N 0 0 474.671 4.713 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC001436186779 1065237445 /nfs/dbraw/zinc/23/74/45/1065237445.db2.gz WCLZSBTWNNEABQ-NVXWUHKLSA-N 0 0 450.348 4.845 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC001436186780 1065237525 /nfs/dbraw/zinc/23/75/25/1065237525.db2.gz WCLZSBTWNNEABQ-RDJZCZTQSA-N 0 0 450.348 4.845 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)CC1=O ZINC001436187129 1065237550 /nfs/dbraw/zinc/23/75/50/1065237550.db2.gz YRGXBHTVLIFBEW-PCCBWWKXSA-N 0 0 450.579 4.632 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC001436186781 1065237597 /nfs/dbraw/zinc/23/75/97/1065237597.db2.gz WCLZSBTWNNEABQ-WBVHZDCISA-N 0 0 450.348 4.845 20 0 JJADRN Cc1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)cc1Br ZINC001436187488 1065237991 /nfs/dbraw/zinc/23/79/91/1065237991.db2.gz VPWBPWXGKSUXFH-LJQANCHMSA-N 0 0 451.405 4.550 20 0 JJADRN Cc1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)cc1Br ZINC001436187486 1065238013 /nfs/dbraw/zinc/23/80/13/1065238013.db2.gz VPWBPWXGKSUXFH-IBGZPJMESA-N 0 0 451.405 4.550 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001436188430 1065238665 /nfs/dbraw/zinc/23/86/65/1065238665.db2.gz FBPXKPYCMOMKRZ-OFNKIYASSA-N 0 0 451.567 4.524 20 0 JJADRN O=C(/C=C/c1ccccc1OC(F)(F)F)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001436188707 1065238696 /nfs/dbraw/zinc/23/86/96/1065238696.db2.gz PADJDLZTGYONRT-IJDCCNJMSA-N 0 0 451.445 4.629 20 0 JJADRN CSCC[C@H](C(=O)Nc1nc2c(s1)c(Cl)ccc2C)N1C(=O)c2ccccc2C1=O ZINC001436187850 1065238782 /nfs/dbraw/zinc/23/87/82/1065238782.db2.gz GTZUQCMKXDHRPK-OAHLLOKOSA-N 0 0 459.980 4.615 20 0 JJADRN COc1ccc(-n2nnc(C(=O)Oc3c(Cl)cc(Br)cc3Cl)c2C)cc1 ZINC001360378162 1065238775 /nfs/dbraw/zinc/23/87/75/1065238775.db2.gz IBJNQWSEUAMDAA-UHFFFAOYSA-N 0 0 457.111 4.873 20 0 JJADRN COc1cc(CNC(=O)c2cc(Br)c(C)cc2C)cc(Br)c1OC ZINC001360377745 1065238791 /nfs/dbraw/zinc/23/87/91/1065238791.db2.gz UFSNEZHCFIGMDP-UHFFFAOYSA-N 0 0 457.162 4.776 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3)cn2)C1 ZINC001436188874 1065239066 /nfs/dbraw/zinc/23/90/66/1065239066.db2.gz IUUUFJCNMPQOQQ-IFMALSPDSA-N 0 0 451.567 4.524 20 0 JJADRN COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001436188865 1065239204 /nfs/dbraw/zinc/23/92/04/1065239204.db2.gz ABWAHSYNRJJFIQ-INIZCTEOSA-N 0 0 452.507 4.641 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccc(Br)s1 ZINC001436188767 1065239260 /nfs/dbraw/zinc/23/92/60/1065239260.db2.gz IEYAYJPNBLQURM-BZUAXINKSA-N 0 0 457.434 4.864 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360379024 1065239110 /nfs/dbraw/zinc/23/91/10/1065239110.db2.gz IWOFLLWPMSFEDO-LJQANCHMSA-N 0 0 475.609 4.783 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C ZINC001360379009 1065239216 /nfs/dbraw/zinc/23/92/16/1065239216.db2.gz IDGBBVMBJFPNMC-HNNXBMFYSA-N 0 0 471.440 4.994 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCc2cccc(Br)c2C1 ZINC001360378959 1065239265 /nfs/dbraw/zinc/23/92/65/1065239265.db2.gz GVXROABFESPQNV-UHFFFAOYSA-N 0 0 470.415 4.871 20 0 JJADRN CC(C)OCCCCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001360379082 1065239847 /nfs/dbraw/zinc/23/98/47/1065239847.db2.gz KRKKUEZCDQWDDT-UHFFFAOYSA-N 0 0 480.657 4.871 20 0 JJADRN O=C(NCCn1cc(Br)cn1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001436189975 1065240407 /nfs/dbraw/zinc/24/04/07/1065240407.db2.gz YFLXRYRPWFPYKF-UHFFFAOYSA-N 0 0 456.127 4.570 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360379310 1065240334 /nfs/dbraw/zinc/24/03/34/1065240334.db2.gz SEXYCTZWVYHAKV-OAQYLSRUSA-N 0 0 465.573 4.784 20 0 JJADRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC001436190551 1065240901 /nfs/dbraw/zinc/24/09/01/1065240901.db2.gz LPUWLJYDMWEPQW-UHFFFAOYSA-N 0 0 454.372 4.971 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001360380978 1065242136 /nfs/dbraw/zinc/24/21/36/1065242136.db2.gz POZMPVLUVCDDPV-KRWDZBQOSA-N 0 0 455.605 4.934 20 0 JJADRN COc1cc(NC(=O)c2cc3cc(Cl)ccc3s2)ccc1S(=O)(=O)N1CCCC1 ZINC001360380850 1065242159 /nfs/dbraw/zinc/24/21/59/1065242159.db2.gz KRPSQGHZJARGHL-UHFFFAOYSA-N 0 0 450.969 4.600 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC001436193149 1065242280 /nfs/dbraw/zinc/24/22/80/1065242280.db2.gz ZWUGHCPYPFVJIZ-MJGOQNOKSA-N 0 0 459.587 4.736 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2CSc3ccccc32)C1=O ZINC001436193747 1065242449 /nfs/dbraw/zinc/24/24/49/1065242449.db2.gz MDOIKCHZVSOZTQ-MSOLQXFVSA-N 0 0 459.409 4.567 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cnn1Cc1ccccc1 ZINC001360381013 1065242535 /nfs/dbraw/zinc/24/25/35/1065242535.db2.gz QZMIIRLPSJYHRX-UHFFFAOYSA-N 0 0 455.480 4.646 20 0 JJADRN CC(C)Cn1ncc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)c1C(F)F ZINC001360381723 1065242610 /nfs/dbraw/zinc/24/26/10/1065242610.db2.gz SQGKMFHSRYNLOP-UHFFFAOYSA-N 0 0 459.497 4.646 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC001436194391 1065242859 /nfs/dbraw/zinc/24/28/59/1065242859.db2.gz ZDOQDTBLHOODCJ-CQSZACIVSA-N 0 0 453.482 4.699 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3nc(N(C)C)ncc3Br)sc2C1 ZINC001436195225 1065242914 /nfs/dbraw/zinc/24/29/14/1065242914.db2.gz 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20 0 JJADRN CN(CCc1nc(-c2ccccc2)no1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001436217915 1065258974 /nfs/dbraw/zinc/25/89/74/1065258974.db2.gz RDCMSEZAJPBLIT-FQEVSTJZSA-N 0 0 456.587 4.601 20 0 JJADRN CC(C)OCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001360394602 1065258978 /nfs/dbraw/zinc/25/89/78/1065258978.db2.gz ZAMKJDAXVIDHJU-KDURUIRLSA-N 0 0 493.599 4.779 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC001436217731 1065259041 /nfs/dbraw/zinc/25/90/41/1065259041.db2.gz UHFDIHNPHHNYRR-KSSFIOAISA-N 0 0 456.892 4.840 20 0 JJADRN COCCc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001436217351 1065259128 /nfs/dbraw/zinc/25/91/28/1065259128.db2.gz QAZBRLOLGQUELI-UHFFFAOYSA-N 0 0 454.324 4.538 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ccc1OC1CCCC1 ZINC001360395430 1065259714 /nfs/dbraw/zinc/25/97/14/1065259714.db2.gz CMUAEZQXZVFYGQ-KRWDZBQOSA-N 0 0 459.384 4.788 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001360395960 1065259987 /nfs/dbraw/zinc/25/99/87/1065259987.db2.gz UOXJULRFQHLOLF-XJKSGUPXSA-N 0 0 452.190 4.710 20 0 JJADRN COc1ccc(-c2nc(CC(=O)NCCOc3cccc(C(C)(C)C)c3)cs2)cc1OC ZINC001360395703 1065260027 /nfs/dbraw/zinc/26/00/27/1065260027.db2.gz LWJAUOBNXQPZSK-UHFFFAOYSA-N 0 0 454.592 4.863 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001360395984 1065260134 /nfs/dbraw/zinc/26/01/34/1065260134.db2.gz VLRIQENMLFLFBL-DOMZBBRYSA-N 0 0 458.183 4.918 20 0 JJADRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001436218767 1065260309 /nfs/dbraw/zinc/26/03/09/1065260309.db2.gz HYJLGKZJRJAHNM-UHFFFAOYSA-N 0 0 457.964 4.589 20 0 JJADRN CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001360396382 1065260642 /nfs/dbraw/zinc/26/06/42/1065260642.db2.gz FIAIISSOXIJRRE-UWJYYQICSA-N 0 0 458.994 4.572 20 0 JJADRN CC(C)OCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360396488 1065260651 /nfs/dbraw/zinc/26/06/51/1065260651.db2.gz INZVMMLIQQSYPP-AWEZNQCLSA-N 0 0 450.356 4.797 20 0 JJADRN CC(C)OCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001360396903 1065261250 /nfs/dbraw/zinc/26/12/50/1065261250.db2.gz SBTVVKSRQYTPFY-QGZVFWFLSA-N 0 0 476.394 4.604 20 0 JJADRN CC(C)OCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360397084 1065261643 /nfs/dbraw/zinc/26/16/43/1065261643.db2.gz FDEZJEXKGSVJIQ-UHFFFAOYSA-N 0 0 485.329 4.963 20 0 JJADRN CS(=O)(=O)c1cc(CNC(=O)Cc2cc(Cl)cc3ccccc32)cc(C(F)(F)F)c1 ZINC001436221149 1065261863 /nfs/dbraw/zinc/26/18/63/1065261863.db2.gz GAFNOHKUGXSKLL-UHFFFAOYSA-N 0 0 455.885 4.774 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360397708 1065262222 /nfs/dbraw/zinc/26/22/22/1065262222.db2.gz UQXQHGSUFNWZQC-UHFFFAOYSA-N 0 0 451.409 4.526 20 0 JJADRN CC(C)OCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1F)C1CC1 ZINC001360397683 1065262313 /nfs/dbraw/zinc/26/23/13/1065262313.db2.gz SVFDDVZFRIRINK-UHFFFAOYSA-N 0 0 462.367 4.769 20 0 JJADRN CC(C)OCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001360397487 1065262363 /nfs/dbraw/zinc/26/23/63/1065262363.db2.gz MMVIICDFYZBBET-OAQYLSRUSA-N 0 0 482.629 4.752 20 0 JJADRN CCOC(=O)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)cc1C ZINC001436221683 1065262342 /nfs/dbraw/zinc/26/23/42/1065262342.db2.gz GCHDMMVUSWZMKD-UHFFFAOYSA-N 0 0 453.436 4.580 20 0 JJADRN O=C(Nc1cc(Br)ccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001436222585 1065262732 /nfs/dbraw/zinc/26/27/32/1065262732.db2.gz MMSSEDRXALELEE-GFCCVEGCSA-N 0 0 457.155 4.642 20 0 JJADRN CC(C)OCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360398556 1065263441 /nfs/dbraw/zinc/26/34/41/1065263441.db2.gz DVVJUPBEDNSREZ-NRFANRHFSA-N 0 0 494.640 4.754 20 0 JJADRN CCc1ccc(OCC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC001360399054 1065263977 /nfs/dbraw/zinc/26/39/77/1065263977.db2.gz CUOKYAWWFWIWFP-AREMUKBSSA-N 0 0 451.588 4.554 20 0 JJADRN O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc2c(c(Br)c1)OCO2 ZINC001436223770 1065264115 /nfs/dbraw/zinc/26/41/15/1065264115.db2.gz VGSWWLTUYIJPJM-UHFFFAOYSA-N 0 0 457.296 4.607 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H]1c1cccc(C)c1 ZINC001436224066 1065264609 /nfs/dbraw/zinc/26/46/09/1065264609.db2.gz YOUITYUGSQMDKT-JPYJTQIMSA-N 0 0 459.562 4.720 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CCc1cc(Br)ccc1F ZINC001360400782 1065264942 /nfs/dbraw/zinc/26/49/42/1065264942.db2.gz RKJDRYXLDVRSCV-QAPCUYQASA-N 0 0 457.384 4.721 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC001360401691 1065265497 /nfs/dbraw/zinc/26/54/97/1065265497.db2.gz CXSPXIUBQORLPA-GOSISDBHSA-N 0 0 452.427 4.540 20 0 JJADRN Cc1oc(Br)cc1C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001360401904 1065265547 /nfs/dbraw/zinc/26/55/47/1065265547.db2.gz GMJJORVWCYLVGN-GFCCVEGCSA-N 0 0 456.178 4.632 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC001436226222 1065265600 /nfs/dbraw/zinc/26/56/00/1065265600.db2.gz BNWQTOIKVYAUNG-UTKZUKDTSA-N 0 0 458.396 4.798 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC001360402444 1065266081 /nfs/dbraw/zinc/26/60/81/1065266081.db2.gz MDPSBSUYQYQBKQ-FQEVSTJZSA-N 0 0 453.327 4.645 20 0 JJADRN COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC001436227748 1065266167 /nfs/dbraw/zinc/26/61/67/1065266167.db2.gz MKOLLZROHNUZAV-OAQYLSRUSA-N 0 0 459.468 4.797 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC001436227302 1065266282 /nfs/dbraw/zinc/26/62/82/1065266282.db2.gz FPZSNCJSQAVIIV-HXUWFJFHSA-N 0 0 458.400 4.843 20 0 JJADRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cccnc1N1CCCC1)c1ccc(Cl)cc1 ZINC001436228366 1065266817 /nfs/dbraw/zinc/26/68/17/1065266817.db2.gz OYACWROMKYKTSG-IBGZPJMESA-N 0 0 454.924 4.691 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436228154 1065266876 /nfs/dbraw/zinc/26/68/76/1065266876.db2.gz CYLVIRRLBKHAEM-RCCFBDPRSA-N 0 0 462.940 4.749 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001436228977 1065267307 /nfs/dbraw/zinc/26/73/07/1065267307.db2.gz KJIKPVKAUNRXRK-SWLSCSKDSA-N 0 0 458.274 4.618 20 0 JJADRN CC(C)OCCn1c(Cc2cccnc2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001360404239 1065267669 /nfs/dbraw/zinc/26/76/69/1065267669.db2.gz SZGDCGZXOFHSAR-UHFFFAOYSA-N 0 0 492.624 4.599 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CCCC2)C1 ZINC001360403976 1065267784 /nfs/dbraw/zinc/26/77/84/1065267784.db2.gz ZFKFKMLMKSAYPK-OAQYLSRUSA-N 0 0 475.678 4.978 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001436229758 1065268093 /nfs/dbraw/zinc/26/80/93/1065268093.db2.gz LCCOWALLOZGPQX-ICSRJNTNSA-N 0 0 450.023 4.771 20 0 JJADRN CCOc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)ccc1OCC(=O)OC ZINC001360405617 1065268221 /nfs/dbraw/zinc/26/82/21/1065268221.db2.gz ZLJBTRNBWVSFOH-OAQYLSRUSA-N 0 0 453.457 4.783 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC1 ZINC001436231301 1065269172 /nfs/dbraw/zinc/26/91/72/1065269172.db2.gz XONHPIRGBFSLFT-UHFFFAOYSA-N 0 0 458.002 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545896282 1065269261 /nfs/dbraw/zinc/26/92/61/1065269261.db2.gz PDHLJHPZFJBBDM-ZJBJCVSYSA-N 0 0 473.584 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001545896281 1065269338 /nfs/dbraw/zinc/26/93/38/1065269338.db2.gz PDHLJHPZFJBBDM-SGXKBVARSA-N 0 0 473.584 4.571 20 0 JJADRN CC(C)OCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360406779 1065269387 /nfs/dbraw/zinc/26/93/87/1065269387.db2.gz WPTHGPHFXMZQBF-QHCPKHFHSA-N 0 0 495.462 4.686 20 0 JJADRN CC(C)OCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360407179 1065269854 /nfs/dbraw/zinc/26/98/54/1065269854.db2.gz JCYNRCVVSZEWIM-UHFFFAOYSA-N 0 0 487.819 4.612 20 0 JJADRN CC(C)OCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360407337 1065269866 /nfs/dbraw/zinc/26/98/66/1065269866.db2.gz NIEZQODYNZPOTL-NRFANRHFSA-N 0 0 483.657 4.619 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001360407077 1065269904 /nfs/dbraw/zinc/26/99/04/1065269904.db2.gz FSAFMLGBZPEUDM-PKTZIBPZSA-N 0 0 483.657 4.844 20 0 JJADRN CC(C)OCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccs2)CC1 ZINC001360407526 1065270401 /nfs/dbraw/zinc/27/04/01/1065270401.db2.gz UXWBRFCDLCJHFM-UHFFFAOYSA-N 0 0 496.464 4.977 20 0 JJADRN CCn1ccnc1[C@@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001436233831 1065270421 /nfs/dbraw/zinc/27/04/21/1065270421.db2.gz GNIMEQNGSALCGV-OAHLLOKOSA-N 0 0 454.456 4.661 20 0 JJADRN CCn1ccnc1[C@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001436233823 1065270513 /nfs/dbraw/zinc/27/05/13/1065270513.db2.gz GNIMEQNGSALCGV-HNNXBMFYSA-N 0 0 454.456 4.661 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccnn3-c3ccccc3C)[nH]c(=O)c2c1C ZINC001360408156 1065270812 /nfs/dbraw/zinc/27/08/12/1065270812.db2.gz IRIJDULPIOLAJU-HNNXBMFYSA-N 0 0 453.593 4.768 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1F)C1CC1 ZINC001360407660 1065270916 /nfs/dbraw/zinc/27/09/16/1065270916.db2.gz YMWRQIXHTZSZNB-BGYRXZFFSA-N 0 0 487.620 4.782 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)nc1 ZINC001436234846 1065271029 /nfs/dbraw/zinc/27/10/29/1065271029.db2.gz IFGWPTDKKMRZIV-NRFANRHFSA-N 0 0 454.324 4.921 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCC=C(c3ccco3)C2)C1 ZINC001436237284 1065271365 /nfs/dbraw/zinc/27/13/65/1065271365.db2.gz YEEYKSNXPIWNJY-GOSISDBHSA-N 0 0 457.368 4.519 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)Oc2c(C)cc(Cl)cc2Br)c1=O ZINC001436236234 1065271473 /nfs/dbraw/zinc/27/14/73/1065271473.db2.gz ROJKXAIMIMUBBI-UHFFFAOYSA-N 0 0 451.748 4.933 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1 ZINC001436237252 1065271531 /nfs/dbraw/zinc/27/15/31/1065271531.db2.gz WERDNSOKFGUQRU-QFIPXVFZSA-N 0 0 454.615 4.516 20 0 JJADRN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001360408218 1065271566 /nfs/dbraw/zinc/27/15/66/1065271566.db2.gz HVLLITVDVSPAIA-IBGZPJMESA-N 0 0 459.999 4.869 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001360409000 1065271933 /nfs/dbraw/zinc/27/19/33/1065271933.db2.gz VXKOFEVCMZFPJK-UHFFFAOYSA-N 0 0 452.946 4.558 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC001360408986 1065272074 /nfs/dbraw/zinc/27/20/74/1065272074.db2.gz VRKKGUNGGPRFBI-DEOSSOPVSA-N 0 0 450.604 4.984 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001360409207 1065272397 /nfs/dbraw/zinc/27/23/97/1065272397.db2.gz ZLNODHLGMOQTPE-HNNXBMFYSA-N 0 0 456.951 4.738 20 0 JJADRN Cc1cc(F)c(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1F ZINC001436242622 1065272508 /nfs/dbraw/zinc/27/25/08/1065272508.db2.gz JCKCSVGTINDUBD-ZDUSSCGKSA-N 0 0 457.926 4.704 20 0 JJADRN CC(C)OCCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001360409241 1065272620 /nfs/dbraw/zinc/27/26/20/1065272620.db2.gz ASXZZHJCPGBXML-FQEVSTJZSA-N 0 0 473.637 4.540 20 0 JJADRN CC(C)OCCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001360409242 1065272649 /nfs/dbraw/zinc/27/26/49/1065272649.db2.gz ASXZZHJCPGBXML-HXUWFJFHSA-N 0 0 473.637 4.540 20 0 JJADRN CCn1cc([C@@H](C)NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cn1 ZINC001436243414 1065272717 /nfs/dbraw/zinc/27/27/17/1065272717.db2.gz JOMUJNNRKJPFMT-OAHLLOKOSA-N 0 0 458.356 4.744 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2CCCc3c(F)c(F)c(F)cc32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001436245264 1065273594 /nfs/dbraw/zinc/27/35/94/1065273594.db2.gz CGPCIUUIHJPTNB-FKIZINRSSA-N 0 0 457.279 4.910 20 0 JJADRN C[C@@H](OC(=O)COc1ccc(F)c(Cl)c1)c1ccc(F)c(I)c1 ZINC001436247266 1065274137 /nfs/dbraw/zinc/27/41/37/1065274137.db2.gz WFDQRZMZFNIRPI-SECBINFHSA-N 0 0 452.622 4.906 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001545896403 1065274747 /nfs/dbraw/zinc/27/47/47/1065274747.db2.gz RRBVNPLKOZZCHW-INIZCTEOSA-N 0 0 466.001 4.694 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1(c2ccc(Br)cc2)CC1 ZINC001360411285 1065274799 /nfs/dbraw/zinc/27/47/99/1065274799.db2.gz KUMAWDIDFSGJBL-KRWDZBQOSA-N 0 0 453.302 4.895 20 0 JJADRN CC[C@@H]1CC[C@H](C)N(C(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001436252219 1065275055 /nfs/dbraw/zinc/27/50/55/1065275055.db2.gz JXCWTDVWKLYMCI-NWDGAFQWSA-N 0 0 450.158 4.633 20 0 JJADRN CC(C)[C@H](C(=O)O[C@H](C)c1ccc(F)c(I)c1)C(=O)OC(C)(C)C ZINC001436250653 1065275091 /nfs/dbraw/zinc/27/50/91/1065275091.db2.gz RWCSLXXXWGESHA-IAQYHMDHSA-N 0 0 450.288 4.648 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3CC(F)(F)F)cc2)C1 ZINC001360411690 1065275168 /nfs/dbraw/zinc/27/51/68/1065275168.db2.gz FMLJQXZTMZHHRX-IYBDPMFKSA-N 0 0 454.514 4.710 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001360412636 1065275879 /nfs/dbraw/zinc/27/58/79/1065275879.db2.gz VDBPPCONBSNJLW-QFIPXVFZSA-N 0 0 450.967 4.583 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 ZINC001436255057 1065276227 /nfs/dbraw/zinc/27/62/27/1065276227.db2.gz NHRDYHLAJGXVEP-XZOQPEGZSA-N 0 0 479.374 4.925 20 0 JJADRN CC(C)SCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360414128 1065276393 /nfs/dbraw/zinc/27/63/93/1065276393.db2.gz AUSJDDOQUQGQMA-PKOBYXMFSA-N 0 0 493.649 4.802 20 0 JJADRN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360414141 1065277119 /nfs/dbraw/zinc/27/71/19/1065277119.db2.gz BGJCFLDEFNKZQQ-KRWDZBQOSA-N 0 0 484.508 4.972 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1)c1cccc(Br)c1 ZINC001436257976 1065277487 /nfs/dbraw/zinc/27/74/87/1065277487.db2.gz BOQQZMZKRSSFSG-IFMALSPDSA-N 0 0 480.362 4.747 20 0 JJADRN CN(CC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001436257846 1065277497 /nfs/dbraw/zinc/27/74/97/1065277497.db2.gz WHQDTTWAOZCLMV-UHFFFAOYSA-N 0 0 450.894 4.544 20 0 JJADRN COCC[C@@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)c1cccc(C(F)(F)F)c1 ZINC001436258239 1065278315 /nfs/dbraw/zinc/27/83/15/1065278315.db2.gz BHXDKXOMDMTFKJ-GOSISDBHSA-N 0 0 453.411 4.985 20 0 JJADRN CC(C)SCCn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360416507 1065278619 /nfs/dbraw/zinc/27/86/19/1065278619.db2.gz BGRFPSGDFOFVQL-INIZCTEOSA-N 0 0 467.561 4.906 20 0 JJADRN C[C@H](C(=O)NC1(c2ccccc2Br)CCCCC1)n1nnc(-c2ccccc2)n1 ZINC001436259902 1065278810 /nfs/dbraw/zinc/27/88/10/1065278810.db2.gz ZKLIYYIYHAANQU-MRXNPFEDSA-N 0 0 454.372 4.639 20 0 JJADRN CC(C)SCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001360416615 1065278950 /nfs/dbraw/zinc/27/89/50/1065278950.db2.gz FPSULRWEFHYQRX-HNNXBMFYSA-N 0 0 493.450 4.716 20 0 JJADRN CC(C)SCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001360416745 1065279832 /nfs/dbraw/zinc/27/98/32/1065279832.db2.gz KHXJDOZKWANZKR-UHFFFAOYSA-N 0 0 495.571 4.728 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001436264660 1065279928 /nfs/dbraw/zinc/27/99/28/1065279928.db2.gz AZCSNKWGSURTOI-MRXNPFEDSA-N 0 0 457.514 4.813 20 0 JJADRN CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360416834 1065280353 /nfs/dbraw/zinc/28/03/53/1065280353.db2.gz MMNYJGFMLWZXCB-IBGZPJMESA-N 0 0 477.984 4.665 20 0 JJADRN CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C12CCC2 ZINC001436267912 1065280474 /nfs/dbraw/zinc/28/04/74/1065280474.db2.gz RWAINUGJERZAEN-UXHICEINSA-N 0 0 457.368 4.731 20 0 JJADRN CO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C12CCC2 ZINC001436267920 1065280530 /nfs/dbraw/zinc/28/05/30/1065280530.db2.gz RWAINUGJERZAEN-WOJBJXKFSA-N 0 0 457.368 4.731 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cnn1-c1ccc(Br)cc1 ZINC001436266057 1065280540 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467.747 4.646 20 0 JJADRN CC(C)SCCn1c(-c2cnccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001360417706 1065282224 /nfs/dbraw/zinc/28/22/24/1065282224.db2.gz FBBFTPZMMYJJPE-UHFFFAOYSA-N 0 0 470.618 4.566 20 0 JJADRN COc1cc(OC)c(C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cc1OC ZINC001436271158 1065282262 /nfs/dbraw/zinc/28/22/62/1065282262.db2.gz DQONQUISOSVKNT-UHFFFAOYSA-N 0 0 451.704 4.929 20 0 JJADRN COc1ccc(CC(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)cc1OC(F)F ZINC001436270928 1065282345 /nfs/dbraw/zinc/28/23/45/1065282345.db2.gz ADHHANDQUUDQIP-UHFFFAOYSA-N 0 0 459.420 4.974 20 0 JJADRN CC(C)SCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001360418164 1065282711 /nfs/dbraw/zinc/28/27/11/1065282711.db2.gz ODLTWOGSIGVVRB-UHFFFAOYSA-N 0 0 485.057 4.990 20 0 JJADRN CC(C)SCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001360418458 1065283287 /nfs/dbraw/zinc/28/32/87/1065283287.db2.gz WJLCYWURPVPAKJ-HXUWFJFHSA-N 0 0 488.455 4.822 20 0 JJADRN CC(C)SCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001360418556 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C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 ZINC001360440070 1065322919 /nfs/dbraw/zinc/32/29/19/1065322919.db2.gz OBGUFWKCXDHNDR-GTOJURISSA-N 0 0 482.679 4.653 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360440337 1065323451 /nfs/dbraw/zinc/32/34/51/1065323451.db2.gz QIHZHOVOJSAIKB-JTCFJRQWSA-N 0 0 494.587 4.907 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CCC[C@H]1CCCCO1 ZINC001360440287 1065323592 /nfs/dbraw/zinc/32/35/92/1065323592.db2.gz QABUBLZFDQRJSW-SIKLNZKXSA-N 0 0 474.671 4.886 20 0 JJADRN CC(=O)c1cccc(O[C@@H](C)C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1 ZINC001436461557 1065323655 /nfs/dbraw/zinc/32/36/55/1065323655.db2.gz GUKSTVJPOWXYER-AWEZNQCLSA-N 0 0 450.760 4.920 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360440339 1065323681 /nfs/dbraw/zinc/32/36/81/1065323681.db2.gz QIHZHOVOJSAIKB-SYQZWXOMSA-N 0 0 494.587 4.907 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001360440380 1065324387 /nfs/dbraw/zinc/32/43/87/1065324387.db2.gz RBQQWUJGDXTEGM-ZZQXMTQJSA-N 0 0 483.585 4.570 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001360440461 1065324431 /nfs/dbraw/zinc/32/44/31/1065324431.db2.gz SBPFNAVWWCFKQK-IESDODGYSA-N 0 0 458.672 4.716 20 0 JJADRN COc1ccc(COC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)nc1 ZINC001436463486 1065324518 /nfs/dbraw/zinc/32/45/18/1065324518.db2.gz PANBFMDRSKPYLK-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cc(Cl)cnc1Cl ZINC001436465335 1065325072 /nfs/dbraw/zinc/32/50/72/1065325072.db2.gz YOOOGKIQSPVUNP-UHFFFAOYSA-N 0 0 457.346 4.762 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)O[C@H]2CCCc3cc(C(=O)OC)ccc32)CC[C@H]1c1ccc(C)o1 ZINC001436467151 1065325776 /nfs/dbraw/zinc/32/57/76/1065325776.db2.gz LUEYGHVUHFGIEX-ACRUOGEOSA-N 0 0 455.507 4.657 20 0 JJADRN 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4.643 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)c3cc(-c4ccc(Br)cc4)no3)n2C)cc1 ZINC001436536178 1065349430 /nfs/dbraw/zinc/34/94/30/1065349430.db2.gz GQHLDGJSRRGHEJ-UHFFFAOYSA-N 0 0 453.296 4.766 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NC(C)(C)C ZINC001360454112 1065349758 /nfs/dbraw/zinc/34/97/58/1065349758.db2.gz CYXAYCXFNPEQLS-LRXVAGHRSA-N 0 0 473.637 4.838 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccc(C)cc3C)CCCC2)c1 ZINC001436537852 1065349941 /nfs/dbraw/zinc/34/99/41/1065349941.db2.gz HEYBPEAYDFEGTO-UHFFFAOYSA-N 0 0 456.652 4.884 20 0 JJADRN COc1ccc(/C=C\c2ccc(OC(=O)c3cc(Br)c(C)n(C)c3=O)cc2)cc1 ZINC001436537767 1065349959 /nfs/dbraw/zinc/34/99/59/1065349959.db2.gz DFCZHZIZHFNTEW-PLNGDYQASA-N 0 0 454.320 4.854 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1CCN(C)CC(F)(F)F ZINC001360454321 1065351265 /nfs/dbraw/zinc/35/12/65/1065351265.db2.gz HTJSTKSBRZUBEP-OAHLLOKOSA-N 0 0 455.525 4.761 20 0 JJADRN 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ZINC001436548272 1065354992 /nfs/dbraw/zinc/35/49/92/1065354992.db2.gz HEOKFTVJNKTKEY-BKMJKUGQSA-N 0 0 459.546 4.622 20 0 JJADRN CCSc1cccc(Br)c1NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001436548274 1065355061 /nfs/dbraw/zinc/35/50/61/1065355061.db2.gz IDUQJXKISYAAQK-UHFFFAOYSA-N 0 0 457.340 4.928 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccn2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360455877 1065355254 /nfs/dbraw/zinc/35/52/54/1065355254.db2.gz CFTSNZZHZNVSLP-OAHLLOKOSA-N 0 0 460.460 4.567 20 0 JJADRN O=C(CCn1cnc2ccccc2c1=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC001360455385 1065355407 /nfs/dbraw/zinc/35/54/07/1065355407.db2.gz JVFWQPRVDJOZPB-UHFFFAOYSA-N 0 0 454.368 4.915 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc3cccnc32)n1CCNC(=O)OC(C)(C)C ZINC001360456053 1065355708 /nfs/dbraw/zinc/35/57/08/1065355708.db2.gz GSHQAQPXIMVTLR-QGZVFWFLSA-N 0 0 462.554 4.808 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccccn2)n1CCNc1ncc(Cl)cc1Cl ZINC001360456347 1065355786 /nfs/dbraw/zinc/35/57/86/1065355786.db2.gz MTVQNOCKGWRKCQ-CQSZACIVSA-N 0 0 458.353 4.944 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(F)(F)F ZINC001360458260 1065357547 /nfs/dbraw/zinc/35/75/47/1065357547.db2.gz GPDTULPJWIDTII-MRXNPFEDSA-N 0 0 463.508 4.585 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360458404 1065357752 /nfs/dbraw/zinc/35/77/52/1065357752.db2.gz IZXHORQQYZPRBK-PKOBYXMFSA-N 0 0 467.570 4.968 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(Cc2ccccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360458698 1065358323 /nfs/dbraw/zinc/35/83/23/1065358323.db2.gz NKYPPSGZWAJAMB-LJQANCHMSA-N 0 0 478.597 4.622 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001360458490 1065358348 /nfs/dbraw/zinc/35/83/48/1065358348.db2.gz KFQYHXZNZXPDJU-IAGOWNOFSA-N 0 0 478.519 4.879 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1CCOCC1 ZINC001360458702 1065359008 /nfs/dbraw/zinc/35/90/08/1065359008.db2.gz NLKYOBNPOOWPES-LJQANCHMSA-N 0 0 487.645 5.000 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1 ZINC001360458817 1065359037 /nfs/dbraw/zinc/35/90/37/1065359037.db2.gz PYWGSSLVMOKODA-QRVBRYPASA-N 0 0 475.659 4.936 20 0 JJADRN O=C(c1cc(F)c(Br)c(Cl)c1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC001436555688 1065360026 /nfs/dbraw/zinc/36/00/26/1065360026.db2.gz GIFFYUJZUIWMRR-ZIAGYGMSSA-N 0 0 458.715 4.844 20 0 JJADRN CC(C)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001360459064 1065360438 /nfs/dbraw/zinc/36/04/38/1065360438.db2.gz SLDJEFJMYQKMFZ-LJQANCHMSA-N 0 0 451.619 4.925 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1C ZINC001436556425 1065360517 /nfs/dbraw/zinc/36/05/17/1065360517.db2.gz LHKLWABTZIKTGQ-UHFFFAOYSA-N 0 0 459.403 4.785 20 0 JJADRN C[C@@H]1CCn2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)nc2C1 ZINC001436557292 1065360638 /nfs/dbraw/zinc/36/06/38/1065360638.db2.gz WDJBNFIARMTNLL-CRAIPNDOSA-N 0 0 454.571 4.845 20 0 JJADRN O=C(CCc1nc(-c2ccsc2)no1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001436557305 1065360683 /nfs/dbraw/zinc/36/06/83/1065360683.db2.gz QMDUZXPIRGINSY-UHFFFAOYSA-N 0 0 451.405 4.713 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)c3ccc(Br)c(C)c3)C2)cc1 ZINC001436558661 1065361136 /nfs/dbraw/zinc/36/11/36/1065361136.db2.gz DOCPEGDCWYEYOP-LJQANCHMSA-N 0 0 457.412 4.970 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@H]1CCCSC1)Nc1cccc(C(F)(F)F)c1 ZINC001436558436 1065361149 /nfs/dbraw/zinc/36/11/49/1065361149.db2.gz GUWBHUGDFGIDTM-OAHLLOKOSA-N 0 0 452.498 4.596 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCCCC1 ZINC001360459186 1065361220 /nfs/dbraw/zinc/36/12/20/1065361220.db2.gz SZIHNEWLGOTFBJ-ICSRJNTNSA-N 0 0 473.618 4.957 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)(C)c3ccc(Br)c(C)c3)C2)cc1 ZINC001436558658 1065361288 /nfs/dbraw/zinc/36/12/88/1065361288.db2.gz DOCPEGDCWYEYOP-IBGZPJMESA-N 0 0 457.412 4.970 20 0 JJADRN C[C@H]1CCn2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(NC(=O)OC(C)(C)C)cc43)nc2C1 ZINC001436557295 1065361382 /nfs/dbraw/zinc/36/13/82/1065361382.db2.gz WDJBNFIARMTNLL-MAUKXSAKSA-N 0 0 454.571 4.845 20 0 JJADRN C[C@@H](NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)c1nccn1-c1ccccc1 ZINC001436559099 1065361834 /nfs/dbraw/zinc/36/18/34/1065361834.db2.gz ZXBLKYYSPBGGQH-OAHLLOKOSA-N 0 0 452.440 4.916 20 0 JJADRN CCN(C(=O)c1cc(I)cc(C(F)(F)F)c1)[C@@H]1CCOC(C)(C)C1 ZINC001436561064 1065363276 /nfs/dbraw/zinc/36/32/76/1065363276.db2.gz JKMDGLGZBQCZPI-CQSZACIVSA-N 0 0 455.258 4.730 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001360460734 1065364006 /nfs/dbraw/zinc/36/40/06/1065364006.db2.gz GNXGDCSLNNQHFF-HNAYVOBHSA-N 0 0 450.461 4.909 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360460990 1065365214 /nfs/dbraw/zinc/36/52/14/1065365214.db2.gz KVHPAFLDBARVLX-YGKZAACZSA-N 0 0 489.414 4.961 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C(N)=O)c1 ZINC001360461035 1065365264 /nfs/dbraw/zinc/36/52/64/1065365264.db2.gz LPOKNLHIKRIQEV-AWEZNQCLSA-N 0 0 499.438 4.636 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccsc1Br ZINC001360461168 1065365275 /nfs/dbraw/zinc/36/52/75/1065365275.db2.gz OKLAHMCLABUXEX-ZDUSSCGKSA-N 0 0 480.457 4.645 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001360461180 1065365367 /nfs/dbraw/zinc/36/53/67/1065365367.db2.gz OUIHKVSVAJEBDP-PZPWOCDFSA-N 0 0 477.428 4.506 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)NC(C)(C)C ZINC001360461239 1065365782 /nfs/dbraw/zinc/36/57/82/1065365782.db2.gz QKPBHANOZQMSCZ-KRWDZBQOSA-N 0 0 477.638 4.899 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCOC1=O ZINC001360461233 1065365958 /nfs/dbraw/zinc/36/59/58/1065365958.db2.gz QGGLTUWCPQXQAG-HNNXBMFYSA-N 0 0 490.427 4.809 20 0 JJADRN 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CCCCCN=c1c(Br)cccn1C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001360472476 1065392154 /nfs/dbraw/zinc/39/21/54/1065392154.db2.gz CBFROSKNBAIAGR-UHFFFAOYSA-N 0 0 451.796 4.679 20 0 JJADRN COc1cc(/C=C\C(=O)O[C@H](C)c2ccc(N(C)C)cn2)ccc1OCc1c(C)noc1C ZINC001436599089 1065392253 /nfs/dbraw/zinc/39/22/53/1065392253.db2.gz VLFGODUVXJIXQC-XSZJWBAASA-N 0 0 451.523 4.658 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC001360473025 1065392850 /nfs/dbraw/zinc/39/28/50/1065392850.db2.gz LAWRVJHTLWJZHI-OAQYLSRUSA-N 0 0 458.400 4.518 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Oc1cccc(NC(=O)c2ccco2)c1 ZINC001360473217 1065392950 /nfs/dbraw/zinc/39/29/50/1065392950.db2.gz RIKVDRINPXIAEK-UHFFFAOYSA-N 0 0 455.879 4.933 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC001360473176 1065392999 /nfs/dbraw/zinc/39/29/99/1065392999.db2.gz NYOOCFGPEJDTCO-UHFFFAOYSA-N 0 0 457.372 4.653 20 0 JJADRN COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Br)c1cccc2ccccc21 ZINC001436601195 1065394254 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453.320 4.645 20 0 JJADRN CCC(=O)N1CC[C@H](C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)C1 ZINC001360482299 1065402086 /nfs/dbraw/zinc/40/20/86/1065402086.db2.gz ZYFHWHVWDNQVQA-AWEZNQCLSA-N 0 0 456.411 4.651 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)CC1 ZINC001436623474 1065402186 /nfs/dbraw/zinc/40/21/86/1065402186.db2.gz XXWLBSQGKYIHHR-KITAHSCOSA-N 0 0 458.599 4.567 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1ccc(C)cc1C ZINC001545899960 1065402287 /nfs/dbraw/zinc/40/22/87/1065402287.db2.gz CSEDFUPWKGGWHW-QHCPKHFHSA-N 0 0 469.674 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2csc(-c3ccoc3)n2)[C@H](c2ccccc2)C1 ZINC001436622586 1065402322 /nfs/dbraw/zinc/40/23/22/1065402322.db2.gz OFUSZNQLMSSHFN-FQEVSTJZSA-N 0 0 453.564 4.766 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1C[C@H](C)c1nc(C)cs1 ZINC001545899977 1065403036 /nfs/dbraw/zinc/40/30/36/1065403036.db2.gz CYXZFQRIMZIXMM-PGRDOPGGSA-N 0 0 495.697 4.846 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@H](C)c1ccccc1 ZINC001545899992 1065403655 /nfs/dbraw/zinc/40/36/55/1065403655.db2.gz DEIKSTFDBONOHN-YADARESESA-N 0 0 477.657 4.655 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccnn2-c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001436626354 1065403736 /nfs/dbraw/zinc/40/37/36/1065403736.db2.gz BQFDDKLGCAZHHW-FCHUYYIVSA-N 0 0 464.541 4.534 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001436626368 1065403814 /nfs/dbraw/zinc/40/38/14/1065403814.db2.gz BSXCQLLTMXKGEI-ZYSHUDEJSA-N 0 0 477.602 4.903 20 0 JJADRN Cn1cc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001436627249 1065404663 /nfs/dbraw/zinc/40/46/63/1065404663.db2.gz LOZPVSIWLMBFBR-JTHBVZDNSA-N 0 0 465.569 4.769 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436627280 1065404739 /nfs/dbraw/zinc/40/47/39/1065404739.db2.gz LWJPVOUQNKKJDH-KZKAQZJJSA-N 0 0 468.569 4.847 20 0 JJADRN 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CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC001436630196 1065407213 /nfs/dbraw/zinc/40/72/13/1065407213.db2.gz XHAQIGZARYKHRM-WIYYLYMNSA-N 0 0 456.562 4.653 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1 ZINC001436629949 1065407263 /nfs/dbraw/zinc/40/72/63/1065407263.db2.gz WKGZBAUGYXGUOT-FYYLOGMGSA-N 0 0 452.599 4.729 20 0 JJADRN CCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)[C@@H]1C[C@H](OCC)C1(C)C ZINC001360488549 1065407283 /nfs/dbraw/zinc/40/72/83/1065407283.db2.gz IMQSXEWTCVFNFP-YADHBBJMSA-N 0 0 450.579 4.658 20 0 JJADRN CCCN(C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@H]1C[C@H](OCC)C1(C)C ZINC001360488336 1065407358 /nfs/dbraw/zinc/40/73/58/1065407358.db2.gz DDSLBJJVQPCUFH-OALUTQOASA-N 0 0 452.521 4.709 20 0 JJADRN CCCN(C(=O)CCOc1cccc(I)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360488748 1065408097 /nfs/dbraw/zinc/40/80/97/1065408097.db2.gz MBJNYTJUTODXIO-QZTJIDSGSA-N 0 0 459.368 4.502 20 0 JJADRN CCCN(C(=O)c1cc(I)c(F)cc1F)[C@H]1C[C@H](OCC)C1(C)C ZINC001360489265 1065408122 /nfs/dbraw/zinc/40/81/22/1065408122.db2.gz SISGVGAJDDFSIR-HOTGVXAUSA-N 0 0 451.295 4.625 20 0 JJADRN COc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc(Cl)n1 ZINC001436635190 1065409829 /nfs/dbraw/zinc/40/98/29/1065409829.db2.gz LRKLBVQAOWGEAS-UHFFFAOYSA-N 0 0 458.742 4.878 20 0 JJADRN CC[C@@H](NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1ccc(F)cc1F ZINC001360493759 1065410373 /nfs/dbraw/zinc/41/03/73/1065410373.db2.gz HHAWFOMZICSFLI-DOAWATSRSA-N 0 0 451.502 4.945 20 0 JJADRN CC[C@@H](NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1ccc(F)cc1F ZINC001360493761 1065410464 /nfs/dbraw/zinc/41/04/64/1065410464.db2.gz HHAWFOMZICSFLI-PLDFPGSMSA-N 0 0 451.502 4.945 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(F)cc1F ZINC001360494048 1065411253 /nfs/dbraw/zinc/41/12/53/1065411253.db2.gz OVKZLLDWIXASJR-KUHUBIRLSA-N 0 0 452.448 4.686 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC001360494261 1065411353 /nfs/dbraw/zinc/41/13/53/1065411353.db2.gz VCRISFQBXCHJMI-UZUQRXQVSA-N 0 0 459.949 4.991 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(C)c(NC(C)=O)c2C)nnc1-c1ccc(Cl)cc1 ZINC001360494263 1065411387 /nfs/dbraw/zinc/41/13/87/1065411387.db2.gz VEQDMOAFGYTYFP-UHFFFAOYSA-N 0 0 457.987 4.924 20 0 JJADRN Cc1cc(Br)c2c(c1)CCCN2C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001436638319 1065411563 /nfs/dbraw/zinc/41/15/63/1065411563.db2.gz RGOACAOSZMPLEX-GOSISDBHSA-N 0 0 459.359 4.728 20 0 JJADRN COc1cc(NC(=O)c2ccc(I)cc2Cl)cc(OC)c1Cl ZINC001436641082 1065412163 /nfs/dbraw/zinc/41/21/63/1065412163.db2.gz ACBZARUAJIQEDQ-UHFFFAOYSA-N 0 0 452.075 4.868 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3C[C@H]3CC(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436640331 1065412218 /nfs/dbraw/zinc/41/22/18/1065412218.db2.gz GDBBBTVCMJSJRS-CIBFOGSNSA-N 0 0 450.579 4.739 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnccn1 ZINC001360496919 1065412869 /nfs/dbraw/zinc/41/28/69/1065412869.db2.gz CKBMYLNQWIARSF-INIZCTEOSA-N 0 0 470.549 4.913 20 0 JJADRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1SC ZINC001436642154 1065414016 /nfs/dbraw/zinc/41/40/16/1065414016.db2.gz MUILXRJHMONVIX-MRXNPFEDSA-N 0 0 456.589 4.709 20 0 JJADRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001436642269 1065414055 /nfs/dbraw/zinc/41/40/55/1065414055.db2.gz PZFSQACZRGYVKH-SELNLUPBSA-N 0 0 458.574 4.714 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC001360497027 1065414235 /nfs/dbraw/zinc/41/42/35/1065414235.db2.gz UTOUMVYHOSVOIS-SCLBCKFNSA-N 0 0 453.345 4.619 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC001360497023 1065414242 /nfs/dbraw/zinc/41/42/42/1065414242.db2.gz UTOUMVYHOSVOIS-FZKQIMNGSA-N 0 0 453.345 4.619 20 0 JJADRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001436642270 1065414102 /nfs/dbraw/zinc/41/41/02/1065414102.db2.gz PZFSQACZRGYVKH-SFYKDHMMSA-N 0 0 458.574 4.714 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)cc1 ZINC001436642203 1065414151 /nfs/dbraw/zinc/41/41/51/1065414151.db2.gz OGDBWNCRBUUUOG-LJQANCHMSA-N 0 0 454.567 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CCc1sccc1C ZINC001545900101 1065414693 /nfs/dbraw/zinc/41/46/93/1065414693.db2.gz GZJNLFDGYYMDHJ-JOCHJYFZSA-N 0 0 481.666 4.857 20 0 JJADRN CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360497768 1065415741 /nfs/dbraw/zinc/41/57/41/1065415741.db2.gz LMUIYHMHNHXOHV-KRWDZBQOSA-N 0 0 487.073 4.675 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F ZINC001360497751 1065415795 /nfs/dbraw/zinc/41/57/95/1065415795.db2.gz LCJPYMKPWZZILR-LBPRGKRZSA-N 0 0 476.366 4.985 20 0 JJADRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)OCc1cc(Cl)cc(Br)c1 ZINC001436648571 1065416406 /nfs/dbraw/zinc/41/64/06/1065416406.db2.gz ZOXUQLMEZHEWEU-UHFFFAOYSA-N 0 0 457.729 4.750 20 0 JJADRN Cc1nc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc(-c2ccc(F)cc2)n1 ZINC001436647964 1065416540 /nfs/dbraw/zinc/41/65/40/1065416540.db2.gz DYDAMHWTCDWURX-JOCHJYFZSA-N 0 0 450.514 4.871 20 0 JJADRN Cc1cc(C2(C(=O)Nc3cc(-c4nn[nH]n4)ccc3F)CCCCC2)ccc1Br ZINC001436649735 1065417260 /nfs/dbraw/zinc/41/72/60/1065417260.db2.gz PWTPPHMZVVPDHZ-UHFFFAOYSA-N 0 0 458.335 4.917 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001360498460 1065417355 /nfs/dbraw/zinc/41/73/55/1065417355.db2.gz SHKARDSBYMGLTK-IRXDYDNUSA-N 0 0 458.031 4.631 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360498458 1065417369 /nfs/dbraw/zinc/41/73/69/1065417369.db2.gz SHKARDSBYMGLTK-DLBZAZTESA-N 0 0 458.031 4.631 20 0 JJADRN Cc1nc(NC(=O)c2cc(F)ccc2I)cc(-c2ccc(F)cc2)n1 ZINC001436650092 1065417470 /nfs/dbraw/zinc/41/74/70/1065417470.db2.gz UYFKIFCJPBEJCL-UHFFFAOYSA-N 0 0 451.214 4.587 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)OCc3cc(Cl)cc(S(=O)(=O)CC)c3)c12 ZINC001436651742 1065418220 /nfs/dbraw/zinc/41/82/20/1065418220.db2.gz DLHJUHXWANOTIZ-UHFFFAOYSA-N 0 0 450.944 4.542 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360499059 1065418279 /nfs/dbraw/zinc/41/82/79/1065418279.db2.gz ZIHYMKFXTFFGTE-BBRMVZONSA-N 0 0 471.936 4.701 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnc(Cl)c2F)c1 ZINC001436653014 1065418883 /nfs/dbraw/zinc/41/88/83/1065418883.db2.gz JKYVFNMCFFYYKX-UHFFFAOYSA-N 0 0 454.310 4.605 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(COC(=O)c2c(C)nc(C(C)(C)C)nc2SC)c1 ZINC001436652952 1065418907 /nfs/dbraw/zinc/41/89/07/1065418907.db2.gz ORZZLWQXKDFLKG-UHFFFAOYSA-N 0 0 457.017 4.608 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360499062 1065418914 /nfs/dbraw/zinc/41/89/14/1065418914.db2.gz ZIHYMKFXTFFGTE-XJKSGUPXSA-N 0 0 471.936 4.701 20 0 JJADRN CN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001436655889 1065419990 /nfs/dbraw/zinc/41/99/90/1065419990.db2.gz KOBXUGYKTJRTAO-RBBKRZOGSA-N 0 0 454.617 4.551 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360499232 1065419941 /nfs/dbraw/zinc/41/99/41/1065419941.db2.gz COFDWGUXUFRLAC-AQNXPRMDSA-N 0 0 489.686 4.558 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1ccc(-c3cncnc3)cc1F)COCC2 ZINC001436665193 1065420701 /nfs/dbraw/zinc/42/07/01/1065420701.db2.gz ANHMFUUTLLBUTR-UHFFFAOYSA-N 0 0 455.511 4.625 20 0 JJADRN O=C(Cc1ccc(I)cc1)Oc1ccc(Br)c(Cl)c1 ZINC001436663834 1065420753 /nfs/dbraw/zinc/42/07/53/1065420753.db2.gz UGZNFFKGBWBPAT-UHFFFAOYSA-N 0 0 451.485 4.855 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360500214 1065421498 /nfs/dbraw/zinc/42/14/98/1065421498.db2.gz KZRNPXWQOSAVMO-CQSZACIVSA-N 0 0 463.533 4.602 20 0 JJADRN CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)C1CCCC1 ZINC001436674937 1065421605 /nfs/dbraw/zinc/42/16/05/1065421605.db2.gz PTJOWTWQIDGTTD-UIFIKXQLSA-N 0 0 450.645 4.641 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001436679388 1065422266 /nfs/dbraw/zinc/42/22/66/1065422266.db2.gz KVDKSUQCUGDPQD-MJUUVYJYSA-N 0 0 462.631 4.583 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001436685633 1065422440 /nfs/dbraw/zinc/42/24/40/1065422440.db2.gz IZFGIQBMKXNSIX-UHFFFAOYSA-N 0 0 453.410 4.780 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Cc2cccs2)C1 ZINC001360500574 1065423098 /nfs/dbraw/zinc/42/30/98/1065423098.db2.gz NVMUEXUYPHGQJW-QZTJIDSGSA-N 0 0 457.669 4.692 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)cc1 ZINC001436690137 1065423400 /nfs/dbraw/zinc/42/34/00/1065423400.db2.gz LRDICLUXCCAWSQ-UHFFFAOYSA-N 0 0 450.604 4.804 20 0 JJADRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC001436690583 1065423408 /nfs/dbraw/zinc/42/34/08/1065423408.db2.gz ZSAXKOHMJQQCCH-UHFFFAOYSA-N 0 0 453.269 4.583 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001360500864 1065424289 /nfs/dbraw/zinc/42/42/89/1065424289.db2.gz PDGBHOAEFLGPFK-SFHVURJKSA-N 0 0 456.635 4.668 20 0 JJADRN CC[C@@](CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)(C(=O)OC)c1ccccc1 ZINC001436695313 1065424360 /nfs/dbraw/zinc/42/43/60/1065424360.db2.gz MUXHBCMAGQNMTE-NDEPHWFRSA-N 0 0 453.542 4.790 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001545900504 1065424397 /nfs/dbraw/zinc/42/43/97/1065424397.db2.gz POKZYNNFCJXMSP-IPJJNNNSSA-N 0 0 497.684 4.913 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360501345 1065424970 /nfs/dbraw/zinc/42/49/70/1065424970.db2.gz RZRLWLNKDBCBRZ-RBUKOAKNSA-N 0 0 482.654 4.726 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360501346 1065424994 /nfs/dbraw/zinc/42/49/94/1065424994.db2.gz RZRLWLNKDBCBRZ-RTBURBONSA-N 0 0 482.654 4.726 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001436705349 1065425218 /nfs/dbraw/zinc/42/52/18/1065425218.db2.gz JOZPKDFUPFGQOC-FUHWJXTLSA-N 0 0 459.281 4.657 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001436710467 1065425980 /nfs/dbraw/zinc/42/59/80/1065425980.db2.gz HJHDODOVZUGZMF-HKUYNNGSSA-N 0 0 456.999 4.864 20 0 JJADRN O=C(c1csc(-c2ncccc2F)n1)N1CCCc2c(Br)c(F)cc(F)c21 ZINC001436709701 1065425989 /nfs/dbraw/zinc/42/59/89/1065425989.db2.gz NIRJPHCLGBPQSD-UHFFFAOYSA-N 0 0 454.271 4.978 20 0 JJADRN CCCN(C(=O)COc1ccc(Br)cn1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502048 1065426580 /nfs/dbraw/zinc/42/65/80/1065426580.db2.gz NJZRICJALDNIHN-QFIPXVFZSA-N 0 0 458.331 4.785 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360502077 1065426613 /nfs/dbraw/zinc/42/66/13/1065426613.db2.gz XOEQEYRFGKPEHJ-FUHWJXTLSA-N 0 0 465.545 4.828 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC001436712412 1065426761 /nfs/dbraw/zinc/42/67/61/1065426761.db2.gz DQHITYFIYLBFFW-ARBPTSGCSA-N 0 0 455.530 4.628 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001436711988 1065426766 /nfs/dbraw/zinc/42/67/66/1065426766.db2.gz KPFODIKKQMSNEC-WMZOPIPTSA-N 0 0 455.961 4.570 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)o1 ZINC001436711379 1065426785 /nfs/dbraw/zinc/42/67/85/1065426785.db2.gz AOCXXCXQHQMHLD-VQTJNVASSA-N 0 0 474.479 4.627 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2=O)c(OC)c1 ZINC001436712253 1065426905 /nfs/dbraw/zinc/42/69/05/1065426905.db2.gz AVUQVAXIPGBFIE-QWFCFKBJSA-N 0 0 456.970 4.553 20 0 JJADRN CCCN(C(=O)Cc1nnn(-c2ccc(C)cc2)c1C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502357 1065428268 /nfs/dbraw/zinc/42/82/68/1065428268.db2.gz QPQVRMIJUKFGFJ-HHHXNRCGSA-N 0 0 457.553 4.989 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccnc1Sc1ccccc1 ZINC001436715096 1065428598 /nfs/dbraw/zinc/42/85/98/1065428598.db2.gz QJZWTWLLIYWBAG-LEWJYISDSA-N 0 0 457.521 4.993 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1C(C)(C)C ZINC001360502854 1065428927 /nfs/dbraw/zinc/42/89/27/1065428927.db2.gz DXOJDYKCEASRRP-ZWKOTPCHSA-N 0 0 461.676 4.962 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cscc1Br ZINC001436717112 1065429276 /nfs/dbraw/zinc/42/92/76/1065429276.db2.gz LYYCBMWGCPJAGI-UHFFFAOYSA-N 0 0 458.219 4.668 20 0 JJADRN Cc1cc(NC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc(F)c1Br ZINC001436717458 1065429500 /nfs/dbraw/zinc/42/95/00/1065429500.db2.gz YVFCWMMKNKHXLA-UHFFFAOYSA-N 0 0 455.328 4.814 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N(C)C3CCN(CC(F)(F)F)CC3)c(-c3ccccc3)n2)cc1 ZINC001436726641 1065430191 /nfs/dbraw/zinc/43/01/91/1065430191.db2.gz KUPVUGQDDVYYGW-UHFFFAOYSA-N 0 0 456.512 4.946 20 0 JJADRN CN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C1CCN(CC(F)(F)F)CC1 ZINC001436724858 1065430225 /nfs/dbraw/zinc/43/02/25/1065430225.db2.gz FGHKTGCOJXCSIM-UHFFFAOYSA-N 0 0 453.452 4.733 20 0 JJADRN COc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1NC(=O)C1CCCCC1 ZINC001360503228 1065430555 /nfs/dbraw/zinc/43/05/55/1065430555.db2.gz GBBYTNULLSYBNI-UHFFFAOYSA-N 0 0 459.587 4.990 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2c2ccc(F)cc2C)c1 ZINC001436727436 1065431138 /nfs/dbraw/zinc/43/11/38/1065431138.db2.gz OUUXBXZUBHGVCR-GOTSBHOMSA-N 0 0 456.558 4.942 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001436728912 1065431247 /nfs/dbraw/zinc/43/12/47/1065431247.db2.gz IXSGZAOPVAODBP-UYAOXDASSA-N 0 0 461.345 4.872 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001436734712 1065432057 /nfs/dbraw/zinc/43/20/57/1065432057.db2.gz ITDLRTRUGPAAJB-LSDHHAIUSA-N 0 0 453.739 4.820 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001436735056 1065432070 /nfs/dbraw/zinc/43/20/70/1065432070.db2.gz KUUAWVSATLCRCZ-VXGBXAGGSA-N 0 0 453.274 4.732 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)c1ccc(SC2CC2)cc1 ZINC001436734129 1065432244 /nfs/dbraw/zinc/43/22/44/1065432244.db2.gz FWYVBMDZTZFLNL-UHFFFAOYSA-N 0 0 451.361 4.932 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001360503646 1065433397 /nfs/dbraw/zinc/43/33/97/1065433397.db2.gz MWUWGFCUDBVFGA-SJORKVTESA-N 0 0 490.098 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1(C)C ZINC001436739267 1065433698 /nfs/dbraw/zinc/43/36/98/1065433698.db2.gz AHNJEHHEMZWYRP-QGZVFWFLSA-N 0 0 453.370 4.697 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360503978 1065434229 /nfs/dbraw/zinc/43/42/29/1065434229.db2.gz PWWZMVDVSDELFX-WIYYLYMNSA-N 0 0 489.686 4.906 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2c(F)cc(I)cc2F)s1 ZINC001436740328 1065434806 /nfs/dbraw/zinc/43/48/06/1065434806.db2.gz SFDILGXPZPCNKV-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)nc2ncnn21 ZINC001360504118 1065435009 /nfs/dbraw/zinc/43/50/09/1065435009.db2.gz WSNYMRZNOMKFTE-UHFFFAOYSA-N 0 0 456.428 4.880 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360504340 1065435027 /nfs/dbraw/zinc/43/50/27/1065435027.db2.gz TURHTWAWIGGVGP-RCLSDMTESA-N 0 0 489.686 4.809 20 0 JJADRN C[C@H](CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001360504664 1065435935 /nfs/dbraw/zinc/43/59/35/1065435935.db2.gz AQJWPTVBDLPQII-HZPDHXFCSA-N 0 0 488.455 4.630 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3c3ccccc3)cc2)CC1 ZINC001436755705 1065436422 /nfs/dbraw/zinc/43/64/22/1065436422.db2.gz RMSFDFYVNRVKPB-JWQCQUIFSA-N 0 0 454.636 4.906 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1 ZINC001360504700 1065436643 /nfs/dbraw/zinc/43/66/43/1065436643.db2.gz ZHNPBUDOMTVWOE-DOTOQJQBSA-N 0 0 491.455 4.969 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Cc2cccs2)CCO1 ZINC001360504807 1065437611 /nfs/dbraw/zinc/43/76/11/1065437611.db2.gz ZTWDAUKMBQRGFD-BDKRGJGYSA-N 0 0 460.688 4.998 20 0 JJADRN COc1ccc(C2(C(=O)Nc3nnc(COc4ccc(Cl)cc4)s3)CCC2)cc1OC ZINC001436769863 1065438207 /nfs/dbraw/zinc/43/82/07/1065438207.db2.gz JBIVXOAHIJOSFJ-UHFFFAOYSA-N 0 0 459.955 4.848 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC001436776639 1065439176 /nfs/dbraw/zinc/43/91/76/1065439176.db2.gz SXTGTVMNEILBBM-UHFFFAOYSA-N 0 0 452.780 4.542 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1 ZINC001360505287 1065439905 /nfs/dbraw/zinc/43/99/05/1065439905.db2.gz LHRBBUCMFSCSDP-JBJBFBLISA-N 0 0 456.631 4.539 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 ZINC001360505191 1065439987 /nfs/dbraw/zinc/43/99/87/1065439987.db2.gz JTSXNOWTEIWQJS-RRPUWOKSSA-N 0 0 499.656 4.550 20 0 JJADRN Cc1cccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)c1S(C)(=O)=O ZINC001436781077 1065439851 /nfs/dbraw/zinc/43/98/51/1065439851.db2.gz SOSUTLDJKBDZIQ-UHFFFAOYSA-N 0 0 457.396 4.598 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001436787702 1065440846 /nfs/dbraw/zinc/44/08/46/1065440846.db2.gz QBSQKMPUQQNBML-UHFFFAOYSA-N 0 0 455.633 4.707 20 0 JJADRN CCCc1c(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)cnn1-c1cccc(C)c1 ZINC001436795710 1065441634 /nfs/dbraw/zinc/44/16/34/1065441634.db2.gz ORNFWQVCDKGEFY-UHFFFAOYSA-N 0 0 459.999 4.510 20 0 JJADRN COc1ccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1S(C)(=O)=O ZINC001436789660 1065441647 /nfs/dbraw/zinc/44/16/47/1065441647.db2.gz XRJPCPWZNZAFHM-UHFFFAOYSA-N 0 0 459.951 4.512 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC001436792223 1065441815 /nfs/dbraw/zinc/44/18/15/1065441815.db2.gz TZHYZVPKBCXYFL-IBGZPJMESA-N 0 0 451.573 4.682 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001436804183 1065442500 /nfs/dbraw/zinc/44/25/00/1065442500.db2.gz NCCQUUXMMUJQPB-KYHPRHEASA-N 0 0 453.396 4.771 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001360506052 1065443101 /nfs/dbraw/zinc/44/31/01/1065443101.db2.gz AMFKTCLWTZUTMP-UHFFFAOYSA-N 0 0 453.464 4.725 20 0 JJADRN CS[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)C1 ZINC001360506263 1065443765 /nfs/dbraw/zinc/44/37/65/1065443765.db2.gz AXRMMUIBJUSGMB-KGLIPLIRSA-N 0 0 456.992 4.684 20 0 JJADRN Cc1cc(C2(NC(=O)c3cc(Br)nn3C)CCCCC2)ccc1Br ZINC001436806776 1065444451 /nfs/dbraw/zinc/44/44/51/1065444451.db2.gz BAPHQGMFHLLNGA-UHFFFAOYSA-N 0 0 455.194 4.843 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)c2C1 ZINC001360506752 1065444584 /nfs/dbraw/zinc/44/45/84/1065444584.db2.gz IMPLMQYLJOCXPE-QYZOEREBSA-N 0 0 456.652 4.862 20 0 JJADRN CN(C)c1ccc(NC(=O)/C=C/c2ccc(I)o2)cc1C(F)(F)F ZINC001436808689 1065445137 /nfs/dbraw/zinc/44/51/37/1065445137.db2.gz VTUZXVAGRYSSEO-VMPITWQZSA-N 0 0 450.198 4.621 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N3CC[C@H](CC(C)(C)C)C3)cc2OC)cc1 ZINC001436809356 1065445147 /nfs/dbraw/zinc/44/51/47/1065445147.db2.gz AIJLRXQQXBHLFI-GOSISDBHSA-N 0 0 454.567 4.620 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)CCc2cccc(OC3CCCC3)c2)cc1 ZINC001360507380 1065445486 /nfs/dbraw/zinc/44/54/86/1065445486.db2.gz ONWUTFSTVBWXTP-UHFFFAOYSA-N 0 0 457.574 4.929 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H]1SCCc2ccccc21 ZINC001545902064 1065445921 /nfs/dbraw/zinc/44/59/21/1065445921.db2.gz GIHKXYOHAXVEQH-YADHBBJMSA-N 0 0 455.672 4.852 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 ZINC001436812638 1065446024 /nfs/dbraw/zinc/44/60/24/1065446024.db2.gz OTDWCVGVVADJHC-UHFFFAOYSA-N 0 0 450.398 4.834 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001360507612 1065446317 /nfs/dbraw/zinc/44/63/17/1065446317.db2.gz QSPWOARENLSDAZ-STQMWFEESA-N 0 0 459.395 4.687 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(OC(C)(C)C)cn2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360507619 1065446435 /nfs/dbraw/zinc/44/64/35/1065446435.db2.gz QUEXEDWWMAGPSM-SFTDATJTSA-N 0 0 453.583 4.911 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)CC(F)(F)F ZINC001436817188 1065446926 /nfs/dbraw/zinc/44/69/26/1065446926.db2.gz MOHJSLQLDYSLNM-IAGOWNOFSA-N 0 0 450.501 4.795 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001436819485 1065447581 /nfs/dbraw/zinc/44/75/81/1065447581.db2.gz AUXIVZHKMJWLAO-UHFFFAOYSA-N 0 0 455.839 4.972 20 0 JJADRN COc1ccc(CN(C)C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1Cl ZINC001436834678 1065449304 /nfs/dbraw/zinc/44/93/04/1065449304.db2.gz BDUSQVPBRMUYQT-UHFFFAOYSA-N 0 0 450.922 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)COc3ccc(Oc4ccccc4)cc3)[C@@H]2C1 ZINC001436845151 1065451438 /nfs/dbraw/zinc/45/14/38/1065451438.db2.gz LROJABHGZOBRDM-WMZHIEFXSA-N 0 0 452.551 4.716 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001545902263 1065451528 /nfs/dbraw/zinc/45/15/28/1065451528.db2.gz LCROWRZUQOTYRZ-JOCHJYFZSA-N 0 0 455.622 4.983 20 0 JJADRN C[C@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1)c1ccccc1 ZINC001360509963 1065451539 /nfs/dbraw/zinc/45/15/39/1065451539.db2.gz AZNXDWHZTISPNS-QGZVFWFLSA-N 0 0 459.566 4.699 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001436849621 1065452361 /nfs/dbraw/zinc/45/23/61/1065452361.db2.gz ARRZYNQFWGXETP-RHSMWYFYSA-N 0 0 455.723 4.776 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1I ZINC001436857426 1065453286 /nfs/dbraw/zinc/45/32/86/1065453286.db2.gz OQOUDXIPWYMBFN-DZGCQCFKSA-N 0 0 457.743 4.788 20 0 JJADRN Cn1c(C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)cc2cc(Br)cnc21 ZINC001436853697 1065453416 /nfs/dbraw/zinc/45/34/16/1065453416.db2.gz NINLZHSNVALGNR-UHFFFAOYSA-N 0 0 458.703 4.824 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC001436858568 1065454431 /nfs/dbraw/zinc/45/44/31/1065454431.db2.gz DLZBDDMJWCDQHP-GOSISDBHSA-N 0 0 450.398 4.569 20 0 JJADRN C[C@@H](C(=O)Nc1nn(CC(F)(F)F)cc1Br)c1cccc(Br)c1 ZINC001436862419 1065454743 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DAJPEASIDCJKOW-UHFFFAOYSA-N 0 0 455.374 4.672 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)C[C@H](C)O1 ZINC001436967049 1065482967 /nfs/dbraw/zinc/48/29/67/1065482967.db2.gz SUYBIQNYZFQZGO-IRXDYDNUSA-N 0 0 456.949 4.585 20 0 JJADRN CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001436968029 1065483033 /nfs/dbraw/zinc/48/30/33/1065483033.db2.gz ZNHOOCJTGIPQCF-UHFFFAOYSA-N 0 0 454.570 4.623 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)CCSCC1 ZINC001436968056 1065483122 /nfs/dbraw/zinc/48/31/22/1065483122.db2.gz LBLDPHAAFNJFKC-UHFFFAOYSA-N 0 0 453.967 4.518 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)N(C)c3ccccc3)c1)CCCC2 ZINC001436966349 1065483137 /nfs/dbraw/zinc/48/31/37/1065483137.db2.gz SXVQCJQWRNGSHR-UHFFFAOYSA-N 0 0 450.560 4.503 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=CCC1 ZINC001360518813 1065483696 /nfs/dbraw/zinc/48/36/96/1065483696.db2.gz FFBZJIOVIVUNSE-SFHVURJKSA-N 0 0 476.021 4.780 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccnc1)c1ccccc1 ZINC001360518834 1065483702 /nfs/dbraw/zinc/48/37/02/1065483702.db2.gz FMYDWZGGSUTKOS-KRWDZBQOSA-N 0 0 465.399 4.913 20 0 JJADRN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1sc2ccc(Br)cc2c1C ZINC001436968879 1065483814 /nfs/dbraw/zinc/48/38/14/1065483814.db2.gz ALTDTKFCISFKSG-GOSISDBHSA-N 0 0 457.393 4.675 20 0 JJADRN CCn1ncc(Br)c1C(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001436968498 1065483954 /nfs/dbraw/zinc/48/39/54/1065483954.db2.gz RQVLPGROYLSGBH-UHFFFAOYSA-N 0 0 457.044 4.579 20 0 JJADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001360519021 1065484407 /nfs/dbraw/zinc/48/44/07/1065484407.db2.gz GVAUGIZZPPFWIR-WMZHIEFXSA-N 0 0 497.640 4.632 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001545903601 1065484514 /nfs/dbraw/zinc/48/45/14/1065484514.db2.gz DOMIKOIWRUHYOM-FQEVSTJZSA-N 0 0 460.022 4.676 20 0 JJADRN CC(=O)N[C@H](C(=O)N1CCCc2c1cccc2C(F)(F)F)c1cccc(Br)c1 ZINC001436972451 1065484655 /nfs/dbraw/zinc/48/46/55/1065484655.db2.gz QQMPMCUOOUFWDY-SFHVURJKSA-N 0 0 455.274 4.625 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)c1ccco1)c1ccccc1 ZINC001360519254 1065485117 /nfs/dbraw/zinc/48/51/17/1065485117.db2.gz JUJNBPOVHNLFKE-MWTRTKDXSA-N 0 0 484.398 4.776 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)OCc2cccc(C(F)(F)F)c2)C1 ZINC001436975267 1065485329 /nfs/dbraw/zinc/48/53/29/1065485329.db2.gz XDDFLULUYOBRTP-SIKLNZKXSA-N 0 0 451.441 4.565 20 0 JJADRN CC(C)(C)n1ncc(C(=O)OCc2cccc(C(F)(F)F)c2)c1I ZINC001436973485 1065485367 /nfs/dbraw/zinc/48/53/67/1065485367.db2.gz OUSRYADOYLLZEP-UHFFFAOYSA-N 0 0 452.214 4.619 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@@H]1C ZINC001360519387 1065486035 /nfs/dbraw/zinc/48/60/35/1065486035.db2.gz LSWHSQKOQXATNB-IYWMVGAKSA-N 0 0 495.734 4.641 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCC1)c1nccs1 ZINC001360519386 1065486161 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0 0 468.549 4.656 20 0 JJADRN CCc1cc(C(=O)OC)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)s1 ZINC001436987972 1065488593 /nfs/dbraw/zinc/48/85/93/1065488593.db2.gz GXIBBHSGJOKPAJ-IYBDPMFKSA-N 0 0 458.580 4.518 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1)c1nccs1 ZINC001360519840 1065489012 /nfs/dbraw/zinc/48/90/12/1065489012.db2.gz URLCNWUXBQDERX-OLZOCXBDSA-N 0 0 468.446 4.645 20 0 JJADRN Cc1cc(C)c(OCC(=O)N(CCc2ccccn2)c2ccc(Br)cn2)c(C)c1 ZINC001436989548 1065489129 /nfs/dbraw/zinc/48/91/29/1065489129.db2.gz RBXZFJVCBAQFLY-UHFFFAOYSA-N 0 0 454.368 4.819 20 0 JJADRN C[C@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)C1CC1)c1nccs1 ZINC001360519901 1065490005 /nfs/dbraw/zinc/49/00/05/1065490005.db2.gz VKPGTCMEBRILAP-SPLOXXLWSA-N 0 0 476.444 4.565 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3CCC(=O)OC(C)(C)C)n2)cc1 ZINC001436991289 1065490127 /nfs/dbraw/zinc/49/01/27/1065490127.db2.gz LZMDDQACGSZQLG-IBGZPJMESA-N 0 0 457.571 4.571 20 0 JJADRN CCc1cc(C(=O)OC)c(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)s1 ZINC001436994997 1065490139 /nfs/dbraw/zinc/49/01/39/1065490139.db2.gz NPPPOXTXQWRVKQ-UHFFFAOYSA-N 0 0 455.532 4.946 20 0 JJADRN CCc1cc(C(=O)OC)c(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)s1 ZINC001436991473 1065490314 /nfs/dbraw/zinc/49/03/14/1065490314.db2.gz ISIHKQNVIGVLHD-UHFFFAOYSA-N 0 0 450.442 4.902 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2OC)n1Cc1sc(C)nc1C ZINC001545903788 1065490854 /nfs/dbraw/zinc/49/08/54/1065490854.db2.gz IFHBJLITPMKCAS-HXUWFJFHSA-N 0 0 482.654 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2OC)n1Cc1sc(C)nc1C ZINC001545903787 1065490915 /nfs/dbraw/zinc/49/09/15/1065490915.db2.gz IFHBJLITPMKCAS-FQEVSTJZSA-N 0 0 482.654 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@@](C)(O)c1ccsc1 ZINC001545903775 1065490970 /nfs/dbraw/zinc/49/09/70/1065490970.db2.gz IDKDKBAQTCKRFN-AUSIDOKSSA-N 0 0 473.668 4.569 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2cccnc2)n1Cc1nc(C(F)(F)F)cs1)c1nccs1 ZINC001360520210 1065492281 /nfs/dbraw/zinc/49/22/81/1065492281.db2.gz BMCUSXLEARDTPY-LBPRGKRZSA-N 0 0 465.530 4.560 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CC[C@@H](OC)C(F)(F)F ZINC001545903835 1065492776 /nfs/dbraw/zinc/49/27/76/1065492776.db2.gz IVXZVQISIIGZOP-RBUKOAKNSA-N 0 0 467.536 4.505 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC1)c1nccs1 ZINC001360520420 1065492820 /nfs/dbraw/zinc/49/28/20/1065492820.db2.gz GOUFEYOGDDTAJK-LBPRGKRZSA-N 0 0 450.381 4.953 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001360520396 1065492838 /nfs/dbraw/zinc/49/28/38/1065492838.db2.gz GCFJKIDTTXPYTE-JKSUJKDBSA-N 0 0 474.606 4.694 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001360520509 1065492848 /nfs/dbraw/zinc/49/28/48/1065492848.db2.gz HZUYJHQHYIQISP-HUUCEWRRSA-N 0 0 492.049 4.603 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccs2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001545903907 1065494607 /nfs/dbraw/zinc/49/46/07/1065494607.db2.gz KMAUAIFHFNBUMB-DMUMMCEESA-N 0 0 459.660 4.803 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC=CCO1)c1nccs1 ZINC001360520891 1065494819 /nfs/dbraw/zinc/49/48/19/1065494819.db2.gz NZMLXHFXJKCLMB-JKSUJKDBSA-N 0 0 474.428 4.749 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001545903941 1065495248 /nfs/dbraw/zinc/49/52/48/1065495248.db2.gz LCUWLDAAGKYDGM-GOSISDBHSA-N 0 0 491.514 4.920 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3(c4cccc(F)c4)CCC3)cc2)cc1 ZINC001437012253 1065495296 /nfs/dbraw/zinc/49/52/96/1065495296.db2.gz LFWYKAQAGYUNHJ-UHFFFAOYSA-N 0 0 452.551 4.768 20 0 JJADRN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001437019774 1065496277 /nfs/dbraw/zinc/49/62/77/1065496277.db2.gz WOYLBVIQQVDZLN-HYBUGGRVSA-N 0 0 453.579 4.798 20 0 JJADRN C[C@@H](CN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C)c1nccs1 ZINC001360521502 1065496429 /nfs/dbraw/zinc/49/64/29/1065496429.db2.gz WHLPYTWLZZKZTL-JGVYIQDASA-N 0 0 466.076 4.842 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)OCc1cc(F)cc(N2CCOCC2)c1 ZINC001437022695 1065496841 /nfs/dbraw/zinc/49/68/41/1065496841.db2.gz HONSAALWPKEEGT-FPLPWBNLSA-N 0 0 450.510 4.756 20 0 JJADRN O=C(COc1cccc(Cl)c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001360522053 1065497484 /nfs/dbraw/zinc/49/74/84/1065497484.db2.gz UANHFCIOABYUKI-UHFFFAOYSA-N 0 0 454.929 4.786 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)Cc2cc(F)ccc2Br)CC1 ZINC001437026566 1065497828 /nfs/dbraw/zinc/49/78/28/1065497828.db2.gz YPRBTOPFJMSDPO-UHFFFAOYSA-N 0 0 457.137 4.707 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c(C(C)(C)C)c1 ZINC001437032016 1065498677 /nfs/dbraw/zinc/49/86/77/1065498677.db2.gz AKYFTAMJZSZHFC-OAQYLSRUSA-N 0 0 450.623 4.825 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)(C)C)c1 ZINC001437032012 1065498753 /nfs/dbraw/zinc/49/87/53/1065498753.db2.gz AKYFTAMJZSZHFC-NRFANRHFSA-N 0 0 450.623 4.825 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N3CCCc4cc(Br)cc(F)c43)CCC2=O)cc1C ZINC001360524297 1065499170 /nfs/dbraw/zinc/49/91/70/1065499170.db2.gz WKKCHCMVMKZPNQ-QGZVFWFLSA-N 0 0 459.359 4.927 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCC(=O)Nc1ccccc1 ZINC001545904162 1065499694 /nfs/dbraw/zinc/49/96/94/1065499694.db2.gz PHDZQGFKBCVRLI-OAQYLSRUSA-N 0 0 480.638 4.628 20 0 JJADRN O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1csc(-c2ccc(Br)s2)n1 ZINC001437041055 1065500331 /nfs/dbraw/zinc/50/03/31/1065500331.db2.gz ULICKZXGXWWACU-UHFFFAOYSA-N 0 0 459.293 4.886 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001437039538 1065500383 /nfs/dbraw/zinc/50/03/83/1065500383.db2.gz OGYYSDOTFVIXQM-WLRWDXFRSA-N 0 0 453.823 4.733 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(OC)c2)n1C[C@@H]1CCC(F)(F)C1 ZINC001545904173 1065500429 /nfs/dbraw/zinc/50/04/29/1065500429.db2.gz PKLIALJJKHIYJX-UTKZUKDTSA-N 0 0 475.584 4.982 20 0 JJADRN C[C@@H](CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1 ZINC001360524650 1065500424 /nfs/dbraw/zinc/50/04/24/1065500424.db2.gz HNJBRCQDULYBLR-WSWWRLHASA-N 0 0 467.658 4.699 20 0 JJADRN C[C@@H](CN(C)c1nnc(C2CCC2)n1CCc1ccc(OCC(F)(F)F)nc1)c1nccs1 ZINC001360524890 1065500983 /nfs/dbraw/zinc/50/09/83/1065500983.db2.gz LCTVVSJPGHSUDO-HNNXBMFYSA-N 0 0 480.560 4.821 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)c1ccccc1)c1nccs1 ZINC001360525305 1065501663 /nfs/dbraw/zinc/50/16/63/1065501663.db2.gz SCCXEAOZNICBBP-SBHAEUEKSA-N 0 0 454.644 4.741 20 0 JJADRN C[C@@H]1[C@H](C)N(C(=O)CCc2cc(Br)ccc2F)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001437043326 1065501713 /nfs/dbraw/zinc/50/17/13/1065501713.db2.gz LEZAHSGSJACCHA-ZNMIVQPWSA-N 0 0 457.384 4.766 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Br)s2)nc1)c1nc(Br)ccc1F ZINC001437043078 1065501792 /nfs/dbraw/zinc/50/17/92/1065501792.db2.gz AFYMMTNERUTKCQ-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN 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ZINC001360526326 1065504414 /nfs/dbraw/zinc/50/44/14/1065504414.db2.gz JWVRNNCMRZVZIJ-CYBMUJFWSA-N 0 0 461.604 4.922 20 0 JJADRN C[C@H](CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccsc1Br)c1ccccc1 ZINC001360526185 1065504424 /nfs/dbraw/zinc/50/44/24/1065504424.db2.gz HFVZKLVMGBRELN-MRXNPFEDSA-N 0 0 488.455 4.513 20 0 JJADRN C[C@@H]1[C@@H](C)N(C(=O)COc2ccccc2Cc2ccccc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001437055394 1065504469 /nfs/dbraw/zinc/50/44/69/1065504469.db2.gz ZLKDPIWJWFGJAT-PWRODBHTSA-N 0 0 452.595 4.901 20 0 JJADRN CCOc1c(Br)cc(C(=O)NCC[C@H]2CSc3ccccc3O2)cc1OC ZINC001437054574 1065504541 /nfs/dbraw/zinc/50/45/41/1065504541.db2.gz IPVQTWPSHSLLIQ-AWEZNQCLSA-N 0 0 452.370 4.530 20 0 JJADRN C[C@H](CN(C)c1nnc(Cc2cccnc2)n1CCCc1cccc(F)c1)c1nccs1 ZINC001360526414 1065504857 /nfs/dbraw/zinc/50/48/57/1065504857.db2.gz LFFFVSGHUGNIDD-GOSISDBHSA-N 0 0 450.587 4.732 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@@H](c3cccnc3)C2)c1)c1ccc(Br)cc1 ZINC001437064344 1065504999 /nfs/dbraw/zinc/50/49/99/1065504999.db2.gz JYYIYVMJXMOOLW-LJQANCHMSA-N 0 0 450.336 4.726 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3(c4ccccc4F)CCC3)CC2)cc1 ZINC001437070230 1065505689 /nfs/dbraw/zinc/50/56/89/1065505689.db2.gz FVYBCVOHRSBKOD-UHFFFAOYSA-N 0 0 458.599 4.545 20 0 JJADRN C[C@@H](CN(C)c1nnc(CCCc2ccccc2)n1CC1(C)CCOCC1)c1nccs1 ZINC001360526802 1065506104 /nfs/dbraw/zinc/50/61/04/1065506104.db2.gz UBOFEYQVTXBRJX-FQEVSTJZSA-N 0 0 453.656 4.967 20 0 JJADRN C[C@H](CN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(OC(F)F)cc1)c1nccs1 ZINC001360526725 1065506191 /nfs/dbraw/zinc/50/61/91/1065506191.db2.gz RUCNPGGQNKGEKZ-MRXNPFEDSA-N 0 0 470.549 4.610 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(COC)o2)n1Cc1ccc(Cl)cc1 ZINC001545904622 1065506278 /nfs/dbraw/zinc/50/62/78/1065506278.db2.gz ZGEJILADZXZWRO-OAQYLSRUSA-N 0 0 486.016 4.979 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cccc(OC)c2)n1C[C@H](C)c1nccs1 ZINC001545904654 1065507409 /nfs/dbraw/zinc/50/74/09/1065507409.db2.gz ZVMRCBLLULHRKC-LAUBAEHRSA-N 0 0 482.654 4.807 20 0 JJADRN C[C@H](CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)c1nccs1 ZINC001360529224 1065508363 /nfs/dbraw/zinc/50/83/63/1065508363.db2.gz DWFSMJGUIIEVKG-OPAMFIHVSA-N 0 0 494.086 4.726 20 0 JJADRN C[C@H](CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCO)c1ccccc1 ZINC001360528984 1065508392 /nfs/dbraw/zinc/50/83/92/1065508392.db2.gz ANUMARLPCTZKDY-IRLDBZIGSA-N 0 0 471.646 4.753 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC001437101644 1065509581 /nfs/dbraw/zinc/50/95/81/1065509581.db2.gz KVFTUMVCUNRMJW-AWEZNQCLSA-N 0 0 452.905 4.901 20 0 JJADRN O=C(NC[C@H]1CSc2ccccc2O1)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001437099485 1065509593 /nfs/dbraw/zinc/50/95/93/1065509593.db2.gz WXZANENKCFCETL-KRWDZBQOSA-N 0 0 457.349 4.920 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)cc1I ZINC001437103200 1065509830 /nfs/dbraw/zinc/50/98/30/1065509830.db2.gz VURIKBPBPQXFBD-UHFFFAOYSA-N 0 0 457.621 4.573 20 0 JJADRN Cc1cc(F)c(CC(=O)N(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001437109065 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4.928 20 0 JJADRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001437142998 1065513260 /nfs/dbraw/zinc/51/32/60/1065513260.db2.gz GDGVZCBCANATDE-CYBMUJFWSA-N 0 0 456.793 4.537 20 0 JJADRN CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)Oc1ccccc1 ZINC001360531622 1065513263 /nfs/dbraw/zinc/51/32/63/1065513263.db2.gz UYBCJJSKBITBCZ-VQTJNVASSA-N 0 0 457.619 4.610 20 0 JJADRN CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)Oc1ccccc1 ZINC001360531620 1065513356 /nfs/dbraw/zinc/51/33/56/1065513356.db2.gz UYBCJJSKBITBCZ-PMACEKPBSA-N 0 0 457.619 4.610 20 0 JJADRN CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001360531474 1065513478 /nfs/dbraw/zinc/51/34/78/1065513478.db2.gz SXBQGOICENKVCI-HXUWFJFHSA-N 0 0 471.621 4.627 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437143037 1065513358 /nfs/dbraw/zinc/51/33/58/1065513358.db2.gz LVZKUIOZTQHEIC-KWCYVHTRSA-N 0 0 478.438 4.519 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC001437143077 1065513749 /nfs/dbraw/zinc/51/37/49/1065513749.db2.gz HCFGCGKUQKKZPX-UHFFFAOYSA-N 0 0 451.523 4.694 20 0 JJADRN COC1CCC(CC(=O)Nc2cccc(Br)c2I)CC1 ZINC001437144793 1065513811 /nfs/dbraw/zinc/51/38/11/1065513811.db2.gz LGPDSEPYHHIBHA-UHFFFAOYSA-N 0 0 452.130 4.588 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001437143941 1065513897 /nfs/dbraw/zinc/51/38/97/1065513897.db2.gz IDAORCRKGSKVRN-KRWDZBQOSA-N 0 0 451.405 4.801 20 0 JJADRN O=C(Cc1ccccc1Br)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360532510 1065514660 /nfs/dbraw/zinc/51/46/60/1065514660.db2.gz ZAJDPNUAASGIOW-UHFFFAOYSA-N 0 0 458.377 4.745 20 0 JJADRN C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C)c1nccs1 ZINC001360533879 1065515047 /nfs/dbraw/zinc/51/50/47/1065515047.db2.gz BORQUJQXTZRBPQ-ULQDDVLXSA-N 0 0 459.591 4.821 20 0 JJADRN CO[C@@H](C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1)c1ccc(Br)s1 ZINC001437154490 1065515470 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CCOC(=O)c1sc2nc(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)sc2c1C ZINC001437300252 1065534485 /nfs/dbraw/zinc/53/44/85/1065534485.db2.gz ICOKQHPYGMKQRT-UHFFFAOYSA-N 0 0 454.577 4.827 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360545248 1065535441 /nfs/dbraw/zinc/53/54/41/1065535441.db2.gz YKCGFLRNZIKNBL-KNKQGSTJSA-N 0 0 494.665 4.870 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360545159 1065535564 /nfs/dbraw/zinc/53/55/64/1065535564.db2.gz BBOOGTPHDTUFMA-IFMALSPDSA-N 0 0 478.641 4.751 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360545249 1065536105 /nfs/dbraw/zinc/53/61/05/1065536105.db2.gz YKCGFLRNZIKNBL-NNMXDRDESA-N 0 0 494.665 4.870 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1cscn1)N(C)C(=O)OC(C)(C)C ZINC001360545360 1065536123 /nfs/dbraw/zinc/53/61/23/1065536123.db2.gz ZMCKDQXEWDWRGY-KRWDZBQOSA-N 0 0 493.637 4.842 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001437317763 1065536234 /nfs/dbraw/zinc/53/62/34/1065536234.db2.gz YSACIYLDASDQPR-QGZVFWFLSA-N 0 0 452.967 4.772 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(F)cc1 ZINC001360545576 1065536432 /nfs/dbraw/zinc/53/64/32/1065536432.db2.gz GPKRWOHWDSRDJB-VQIMIIECSA-N 0 0 463.479 4.831 20 0 JJADRN CS[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001437318303 1065536766 /nfs/dbraw/zinc/53/67/66/1065536766.db2.gz VPXQTOWGEMSEIJ-WOJBJXKFSA-N 0 0 456.612 4.956 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3C)cn2)c1C ZINC001360545985 1065536875 /nfs/dbraw/zinc/53/68/75/1065536875.db2.gz BANMCUBYFWSKOS-UHFFFAOYSA-N 0 0 451.548 4.591 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC001437321361 1065537124 /nfs/dbraw/zinc/53/71/24/1065537124.db2.gz YUDRCIIIGPWVRT-HXUWFJFHSA-N 0 0 456.917 4.773 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001437328364 1065537717 /nfs/dbraw/zinc/53/77/17/1065537717.db2.gz CILZNZYTCSILFQ-KRWDZBQOSA-N 0 0 456.468 4.808 20 0 JJADRN Cc1cc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)ccc1N1C(=O)CCC1=O ZINC001360546566 1065538031 /nfs/dbraw/zinc/53/80/31/1065538031.db2.gz MJVHNOKXYLOTSZ-UHFFFAOYSA-N 0 0 450.844 4.991 20 0 JJADRN COc1ccc(C(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)cc1S(=O)(=O)N(C)C ZINC001437337439 1065538095 /nfs/dbraw/zinc/53/80/95/1065538095.db2.gz SYZOCFPRUYWSSZ-VWLBVBLESA-N 0 0 458.624 4.551 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360546649 1065538193 /nfs/dbraw/zinc/53/81/93/1065538193.db2.gz PEPQVWASVPCOQU-OAQYLSRUSA-N 0 0 455.555 4.601 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)[C@H](C)CO1 ZINC001437338946 1065538305 /nfs/dbraw/zinc/53/83/05/1065538305.db2.gz WNFHZSLTCOWDEH-AEFFLSMTSA-N 0 0 450.535 4.567 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360546900 1065538595 /nfs/dbraw/zinc/53/85/95/1065538595.db2.gz VYLKMNZXEWCMGM-IQGLISFBSA-N 0 0 455.578 4.532 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CC)n1Cc1ccc(Oc2cccnc2)c(F)c1 ZINC001545906361 1065538822 /nfs/dbraw/zinc/53/88/22/1065538822.db2.gz XKZZOPDURWJTME-HXUWFJFHSA-N 0 0 480.588 4.950 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCc3sccc3C2)n1Cc1cccc(C(OC)OC)c1 ZINC001545906377 1065539327 /nfs/dbraw/zinc/53/93/27/1065539327.db2.gz XUJDAWFCBWBKIL-UHFFFAOYSA-N 0 0 497.665 4.551 20 0 JJADRN CNC(=O)[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC001437345857 1065539897 /nfs/dbraw/zinc/53/98/97/1065539897.db2.gz FEJDUEAGEQUMQA-IBGZPJMESA-N 0 0 456.464 4.832 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc3c(c2)CCCCC3)ccc1OCC(=O)N1CCCCC1 ZINC001437346533 1065539909 /nfs/dbraw/zinc/53/99/09/1065539909.db2.gz LUKBLZQKDJSHBM-UHFFFAOYSA-N 0 0 450.579 4.998 20 0 JJADRN CCCN(CCC)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC001437346611 1065540030 /nfs/dbraw/zinc/54/00/30/1065540030.db2.gz MRECQIHAASQFRQ-OAQYLSRUSA-N 0 0 456.974 4.810 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360549232 1065540135 /nfs/dbraw/zinc/54/01/35/1065540135.db2.gz OAWKNKABYGVYSO-MOPGFXCFSA-N 0 0 498.603 4.573 20 0 JJADRN C[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)cc1)c1nccs1 ZINC001360549149 1065540191 /nfs/dbraw/zinc/54/01/91/1065540191.db2.gz NEHRDDUMEZFLDN-OAHLLOKOSA-N 0 0 469.412 4.999 20 0 JJADRN C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(OC(F)F)c1)c1nccs1 ZINC001360549006 1065540274 /nfs/dbraw/zinc/54/02/74/1065540274.db2.gz KEVOOFRSFONNBC-HNNXBMFYSA-N 0 0 456.522 4.838 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1)c1nccs1 ZINC001360549354 1065540750 /nfs/dbraw/zinc/54/07/50/1065540750.db2.gz QRNGHYGGWMEMSA-GFCCVEGCSA-N 0 0 463.430 4.994 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001545906426 1065541019 /nfs/dbraw/zinc/54/10/19/1065541019.db2.gz YNMWVUYWXSYTKT-TZYHBYERSA-N 0 0 487.092 4.922 20 0 JJADRN C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1)c1nccs1 ZINC001360549595 1065541215 /nfs/dbraw/zinc/54/12/15/1065541215.db2.gz VMIIUBRXNATYHN-OAHLLOKOSA-N 0 0 471.428 4.975 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)N(C)C(=O)OC(C)(C)C ZINC001360549610 1065541298 /nfs/dbraw/zinc/54/12/98/1065541298.db2.gz VTFVFIAJYAMHCD-HNNXBMFYSA-N 0 0 476.984 4.958 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001437359935 1065541572 /nfs/dbraw/zinc/54/15/72/1065541572.db2.gz BPROBJJSRJXBRU-JOCHJYFZSA-N 0 0 450.348 4.547 20 0 JJADRN CS(=O)(=O)CC1(CC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)CC1 ZINC001437360318 1065541650 /nfs/dbraw/zinc/54/16/50/1065541650.db2.gz ANCKAQPTGBGUDF-UHFFFAOYSA-N 0 0 456.333 4.534 20 0 JJADRN Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C)nn1-c1ccccc1Br ZINC001437359397 1065541693 /nfs/dbraw/zinc/54/16/93/1065541693.db2.gz ASBFPMQSHIJWLL-UHFFFAOYSA-N 0 0 454.303 4.829 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1Cc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360549955 1065541794 /nfs/dbraw/zinc/54/17/94/1065541794.db2.gz CKHVRTVFHPAYNR-ZWKOTPCHSA-N 0 0 470.643 4.802 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCCCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360549818 1065541844 /nfs/dbraw/zinc/54/18/44/1065541844.db2.gz ZPVBTBIOVKUVMX-FQEVSTJZSA-N 0 0 466.630 4.988 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1 ZINC001360550214 1065541860 /nfs/dbraw/zinc/54/18/60/1065541860.db2.gz HRELIXSSGCCAGX-LEWJYISDSA-N 0 0 494.640 4.824 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)NC3(C(=O)OC(C)(C)C)CCCCCC3)CC2=O)cc1 ZINC001437361034 1065542124 /nfs/dbraw/zinc/54/21/24/1065542124.db2.gz RCTWVAQHPUQHPF-OAQYLSRUSA-N 0 0 456.627 4.933 20 0 JJADRN C[C@@H]1CN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)CCc2ccc(Cl)cc21 ZINC001437362060 1065542221 /nfs/dbraw/zinc/54/22/21/1065542221.db2.gz GUYAVSLMBWLBOS-GFCCVEGCSA-N 0 0 452.839 4.881 20 0 JJADRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC001360551029 1065542302 /nfs/dbraw/zinc/54/23/02/1065542302.db2.gz FCGWGDZDLKXFOQ-QFIPXVFZSA-N 0 0 455.986 4.969 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360551419 1065543065 /nfs/dbraw/zinc/54/30/65/1065543065.db2.gz ZEAPMFYMCXSMKR-QGZVFWFLSA-N 0 0 454.962 4.808 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc2c1 ZINC001437370454 1065543368 /nfs/dbraw/zinc/54/33/68/1065543368.db2.gz ZQBOCMMYEVPUMU-RUZDIDTESA-N 0 0 454.954 4.926 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)NCCNC(=O)c2c(F)cccc2F)c2ccccc2)c1 ZINC001360552082 1065543543 /nfs/dbraw/zinc/54/35/43/1065543543.db2.gz IHHUAYJWRHCAOR-DEOSSOPVSA-N 0 0 452.501 4.755 20 0 JJADRN O=C(NCCNC(=O)c1c(F)cccc1F)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001360552651 1065543861 /nfs/dbraw/zinc/54/38/61/1065543861.db2.gz YFNYJHDRVRYLGO-UHFFFAOYSA-N 0 0 456.301 4.555 20 0 JJADRN C[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CCc1nccs1)N(C)C(=O)OC(C)(C)C ZINC001360553317 1065544122 /nfs/dbraw/zinc/54/41/22/1065544122.db2.gz LDBSUYJUQMZEAN-QGZVFWFLSA-N 0 0 495.653 4.817 20 0 JJADRN C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC001360553079 1065544134 /nfs/dbraw/zinc/54/41/34/1065544134.db2.gz HUPXWQDXCLZUQM-OAHLLOKOSA-N 0 0 469.412 4.999 20 0 JJADRN C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)Sc1ccccc1 ZINC001360553626 1065544588 /nfs/dbraw/zinc/54/45/88/1065544588.db2.gz PPUBFOSHOKPYIS-INIZCTEOSA-N 0 0 494.637 4.510 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1)Oc1cccc(F)c1 ZINC001360553655 1065544773 /nfs/dbraw/zinc/54/47/73/1065544773.db2.gz CAEFHNDFCFIOFG-AWEZNQCLSA-N 0 0 495.418 4.585 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437381021 1065545388 /nfs/dbraw/zinc/54/53/88/1065545388.db2.gz QZCGJFJVWOIKDQ-UHFFFAOYSA-N 0 0 456.373 4.859 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001437391240 1065547224 /nfs/dbraw/zinc/54/72/24/1065547224.db2.gz RJRUOTPUPWEMNT-KYTVRQNUSA-N 0 0 458.599 4.577 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)Oc2ccc(NC(=O)OC(C)C)cc2Cl)c1=O ZINC001437400682 1065547248 /nfs/dbraw/zinc/54/72/48/1065547248.db2.gz XSUZJDNZCRZNMO-UHFFFAOYSA-N 0 0 459.930 4.819 20 0 JJADRN CC[C@H](OCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccccc1 ZINC001437401016 1065547299 /nfs/dbraw/zinc/54/72/99/1065547299.db2.gz ALOALPNNIYUDIA-SDHSZQHLSA-N 0 0 466.622 4.996 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)N(C)c1ccccc1 ZINC001360558363 1065547649 /nfs/dbraw/zinc/54/76/49/1065547649.db2.gz PFQWPABMGNQOLQ-OFNKIYASSA-N 0 0 482.673 4.906 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360558444 1065547665 /nfs/dbraw/zinc/54/76/65/1065547665.db2.gz QJVKRYSVHWAEEI-SQGPQFPESA-N 0 0 473.593 4.502 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360558695 1065548052 /nfs/dbraw/zinc/54/80/52/1065548052.db2.gz BKIDMARONGYNMJ-GCJKJVERSA-N 0 0 487.620 4.908 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001360558791 1065548105 /nfs/dbraw/zinc/54/81/05/1065548105.db2.gz CJEJUHUPRXOZKX-RLLQIKCJSA-N 0 0 452.521 4.871 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1nccs1)Oc1ccc(Cl)cc1 ZINC001360558816 1065548116 /nfs/dbraw/zinc/54/81/16/1065548116.db2.gz CMJRWSXHPNKNPO-LPHOPBHVSA-N 0 0 462.019 4.776 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559215 1065548387 /nfs/dbraw/zinc/54/83/87/1065548387.db2.gz GMHNYFQNZFLSFS-CJAUYULYSA-N 0 0 463.667 4.833 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437416432 1065548529 /nfs/dbraw/zinc/54/85/29/1065548529.db2.gz NPZYSIMTJRLUCH-FXAWDEMLSA-N 0 0 455.603 4.763 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1F)N(C)C(=O)OC(C)(C)C ZINC001360559182 1065548530 /nfs/dbraw/zinc/54/85/30/1065548530.db2.gz GGKUFNQWGYSJBG-PXNSSMCTSA-N 0 0 461.582 4.551 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1)N(C)C(=O)OC(C)(C)C ZINC001360559454 1065548965 /nfs/dbraw/zinc/54/89/65/1065548965.db2.gz IKNMBCYSSIWTSN-LAUBAEHRSA-N 0 0 490.048 4.991 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001360559579 1065549073 /nfs/dbraw/zinc/54/90/73/1065549073.db2.gz JPCOYRBDTSETGB-HNNXBMFYSA-N 0 0 468.495 4.890 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(Br)cc2F)C12CCCC2 ZINC001437416659 1065549115 /nfs/dbraw/zinc/54/91/15/1065549115.db2.gz PCOSMYXQRPJHOB-KRWDZBQOSA-N 0 0 455.368 4.569 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1)N(C)C(=O)OC(C)(C)C ZINC001360559453 1065549088 /nfs/dbraw/zinc/54/90/88/1065549088.db2.gz IKNMBCYSSIWTSN-DYESRHJHSA-N 0 0 490.048 4.991 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437419162 1065549162 /nfs/dbraw/zinc/54/91/62/1065549162.db2.gz YGZVLIUZEBWYHI-FIFPYPGSSA-N 0 0 453.377 4.884 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001360559698 1065549552 /nfs/dbraw/zinc/54/95/52/1065549552.db2.gz LLJLNFAMVWCOJR-SFTDATJTSA-N 0 0 467.658 4.780 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)N(C)c1ccccc1 ZINC001360560316 1065550397 /nfs/dbraw/zinc/55/03/97/1065550397.db2.gz UWDGIFYRRAIGIX-HXUWFJFHSA-N 0 0 468.646 4.518 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cc1cc(Cl)ccc1Br)C2 ZINC001437422286 1065550645 /nfs/dbraw/zinc/55/06/45/1065550645.db2.gz KZNMAMDNWKSUNV-BTYIYWSLSA-N 0 0 471.823 4.798 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC001437423317 1065550713 /nfs/dbraw/zinc/55/07/13/1065550713.db2.gz PUWYBCIACDDTMU-FCHUYYIVSA-N 0 0 454.592 4.674 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)C1(c3cccc(Br)c3)CC1)C2 ZINC001437423849 1065550816 /nfs/dbraw/zinc/55/08/16/1065550816.db2.gz SOQOGZRYZVLPSK-JTSKRJEESA-N 0 0 463.416 4.634 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC001360560352 1065550853 /nfs/dbraw/zinc/55/08/53/1065550853.db2.gz VHBAQMDTGYMPSF-VQIMIIECSA-N 0 0 462.520 4.712 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360560453 1065551038 /nfs/dbraw/zinc/55/10/38/1065551038.db2.gz WZEWYOAXXFJBRS-GOSISDBHSA-N 0 0 474.049 4.751 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001437426311 1065551274 /nfs/dbraw/zinc/55/12/74/1065551274.db2.gz YBFUHGQJJCYZRZ-XDHUDOTRSA-N 0 0 457.596 4.586 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2c(Cl)cccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360560638 1065551338 /nfs/dbraw/zinc/55/13/38/1065551338.db2.gz ZWNHNIXVMQHSHK-LAUBAEHRSA-N 0 0 490.048 4.991 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1ccc2c(c1)nnn2C ZINC001360560743 1065551449 /nfs/dbraw/zinc/55/14/49/1065551449.db2.gz DUXDYQZZFSZFBR-LLVKDONJSA-N 0 0 456.369 4.654 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(C)[C@H](C(=O)OC)c3cccc(OC)c3)cs2)cc1 ZINC001437440578 1065552398 /nfs/dbraw/zinc/55/23/98/1065552398.db2.gz MRJNAGZXQYKVTD-NRFANRHFSA-N 0 0 454.548 4.594 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3CCOc4cc(Br)ccc43)CC2=O)cc1 ZINC001437442181 1065552418 /nfs/dbraw/zinc/55/24/18/1065552418.db2.gz WJFDYVPZYIKOHB-KRWDZBQOSA-N 0 0 457.368 4.570 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(F)(F)F ZINC001437439746 1065552529 /nfs/dbraw/zinc/55/25/29/1065552529.db2.gz KWOUGLAQFAATLB-NSHDSACASA-N 0 0 456.305 4.853 20 0 JJADRN C[C@@]1(CCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C[C@]1(F)Cl ZINC001437442862 1065552923 /nfs/dbraw/zinc/55/29/23/1065552923.db2.gz YZJRBYHJQZDACS-WOJBJXKFSA-N 0 0 454.771 4.948 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CCOC1 ZINC001437442772 1065553062 /nfs/dbraw/zinc/55/30/62/1065553062.db2.gz XVLHINTWNVDWED-HXUWFJFHSA-N 0 0 457.470 4.544 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccc(Cl)cc1 ZINC001360562862 1065553311 /nfs/dbraw/zinc/55/33/11/1065553311.db2.gz DLXXZJHHWNSMRZ-GJZGRUSLSA-N 0 0 495.805 4.895 20 0 JJADRN C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1)c1nccs1 ZINC001360563902 1065553856 /nfs/dbraw/zinc/55/38/56/1065553856.db2.gz LFPHNDYNMYTOOO-HIFRSBDPSA-N 0 0 469.508 4.837 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360563545 1065553942 /nfs/dbraw/zinc/55/39/42/1065553942.db2.gz KYUONGUCTKXSAG-DLBZAZTESA-N 0 0 462.019 4.601 20 0 JJADRN CN(C)[C@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455459 1065554213 /nfs/dbraw/zinc/55/42/13/1065554213.db2.gz QFYACPWQTWREIS-UNMCSNQZSA-N 0 0 458.002 4.815 20 0 JJADRN CN(C)[C@H](C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21)c1ccc(Cl)cc1 ZINC001437455457 1065554244 /nfs/dbraw/zinc/55/42/44/1065554244.db2.gz QFYACPWQTWREIS-IRLDBZIGSA-N 0 0 458.002 4.815 20 0 JJADRN COC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1cccc(OC)c1 ZINC001437455106 1065554269 /nfs/dbraw/zinc/55/42/69/1065554269.db2.gz RJSUTPORJXDCRO-JOCHJYFZSA-N 0 0 453.970 4.921 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cc2cc(Cl)cc3c2OCC3)C1 ZINC001437457775 1065554849 /nfs/dbraw/zinc/55/48/49/1065554849.db2.gz YPWJVBBZXUVRJS-HXUWFJFHSA-N 0 0 456.970 4.690 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1)Oc1cccc(F)c1 ZINC001360564246 1065555018 /nfs/dbraw/zinc/55/50/18/1065555018.db2.gz MWNWCCBWJLYUPC-GJZGRUSLSA-N 0 0 495.418 4.849 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)N(C)c1ccccc1 ZINC001360565717 1065556344 /nfs/dbraw/zinc/55/63/44/1065556344.db2.gz YWBZBYSALNEZAI-QTISVLPJSA-N 0 0 455.647 4.686 20 0 JJADRN CNC(=O)c1cccc(C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)c1 ZINC001437466885 1065556411 /nfs/dbraw/zinc/55/64/11/1065556411.db2.gz MXVRKAIQYAZUCS-CQSZACIVSA-N 0 0 450.638 4.923 20 0 JJADRN O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001437467317 1065556639 /nfs/dbraw/zinc/55/66/39/1065556639.db2.gz HQSNUZNTNVEZIO-LJQANCHMSA-N 0 0 457.397 4.667 20 0 JJADRN COC(=O)c1ccnc(C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)c1 ZINC001437466285 1065556663 /nfs/dbraw/zinc/55/66/63/1065556663.db2.gz IFQRQEJGVALGLU-CYBMUJFWSA-N 0 0 452.610 4.745 20 0 JJADRN CCc1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)ccc1Br ZINC001437469088 1065557139 /nfs/dbraw/zinc/55/71/39/1065557139.db2.gz LGSNETSAAZGNMT-GOSISDBHSA-N 0 0 453.174 4.988 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001437468200 1065557212 /nfs/dbraw/zinc/55/72/12/1065557212.db2.gz DJUFVJFFQSMXEI-SFHVURJKSA-N 0 0 458.274 4.533 20 0 JJADRN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)cc2)n1 ZINC001360566724 1065557308 /nfs/dbraw/zinc/55/73/08/1065557308.db2.gz DKRMQBBZHJGQEZ-UHFFFAOYSA-N 0 0 459.571 4.953 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)cc1 ZINC001360566756 1065557883 /nfs/dbraw/zinc/55/78/83/1065557883.db2.gz YAKJNTYCSGMDRA-SFHVURJKSA-N 0 0 454.596 4.633 20 0 JJADRN C/C(=C/C(=O)N1CCN(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)F ZINC001437473267 1065558073 /nfs/dbraw/zinc/55/80/73/1065558073.db2.gz MTKDPYQZAAJYOU-PFONDFGASA-N 0 0 451.311 4.803 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC001437473955 1065558121 /nfs/dbraw/zinc/55/81/21/1065558121.db2.gz UXNXUQNEYFHJDB-GHTZIAJQSA-N 0 0 454.514 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001545907134 1065558178 /nfs/dbraw/zinc/55/81/78/1065558178.db2.gz AVNIXJPQHXIKRH-NFBKMPQASA-N 0 0 495.672 4.544 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)nn1-c1ccccc1Cl ZINC001437473347 1065558199 /nfs/dbraw/zinc/55/81/99/1065558199.db2.gz NDLWJPFMTAMGNR-UHFFFAOYSA-N 0 0 459.775 4.559 20 0 JJADRN O=C(NCCc1ccc(I)s1)c1cc(-n2cccc2)ccc1Cl ZINC001360567424 1065558579 /nfs/dbraw/zinc/55/85/79/1065558579.db2.gz HAKRCWVGHGZQQX-UHFFFAOYSA-N 0 0 456.736 4.769 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCCN(C)c1ccccc1F ZINC001545907140 1065558613 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RPWFCGGXVIXXIK-DEOSSOPVSA-N 0 0 455.396 4.821 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC001360567651 1065559178 /nfs/dbraw/zinc/55/91/78/1065559178.db2.gz OXIQYHPIRJMDHC-RBUKOAKNSA-N 0 0 463.322 4.708 20 0 JJADRN COc1cc(CCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)ccc1OCC(F)(F)F ZINC001437479650 1065559995 /nfs/dbraw/zinc/55/99/95/1065559995.db2.gz JFDNDESTOAWJOX-NRFANRHFSA-N 0 0 453.457 4.542 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccc(F)cc1 ZINC001360568706 1065560648 /nfs/dbraw/zinc/56/06/48/1065560648.db2.gz FQMVDNXNQPUPEX-SFHVURJKSA-N 0 0 454.569 4.670 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)c1nccs1 ZINC001360568765 1065560752 /nfs/dbraw/zinc/56/07/52/1065560752.db2.gz GKGDUWMCBQGWBM-QZTJIDSGSA-N 0 0 456.635 4.981 20 0 JJADRN CC(C)(C(=O)Nc1ccc(I)cc1F)c1cccc(C(F)(F)F)n1 ZINC001437488499 1065561930 /nfs/dbraw/zinc/56/19/30/1065561930.db2.gz NGOMTEVKJOGTCW-UHFFFAOYSA-N 0 0 452.189 4.760 20 0 JJADRN Cc1ccc(C2(C(=O)Nc3ccc(I)cc3F)CCOCC2)cc1C ZINC001437489811 1065562012 /nfs/dbraw/zinc/56/20/12/1065562012.db2.gz SWTIKUKMQTXBIL-UHFFFAOYSA-N 0 0 453.295 4.734 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)N1CCc2ccccc21 ZINC001360569197 1065562033 /nfs/dbraw/zinc/56/20/33/1065562033.db2.gz IUKFAMDOWUKSIR-RBBKRZOGSA-N 0 0 496.700 4.764 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1 ZINC001437496789 1065562366 /nfs/dbraw/zinc/56/23/66/1065562366.db2.gz VSIJAQAIXWOUKH-INIZCTEOSA-N 0 0 451.354 4.871 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOC(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360569380 1065562587 /nfs/dbraw/zinc/56/25/87/1065562587.db2.gz HJYYPCIGQRGNER-SFHVURJKSA-N 0 0 454.619 4.972 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)Sc1ccccc1 ZINC001360569704 1065563202 /nfs/dbraw/zinc/56/32/02/1065563202.db2.gz JJPPCRXKQNLCIG-PMACEKPBSA-N 0 0 452.672 4.850 20 0 JJADRN CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3)CC2)n1 ZINC001360570057 1065563372 /nfs/dbraw/zinc/56/33/72/1065563372.db2.gz NRQOUCNUZGZYRO-OAQYLSRUSA-N 0 0 477.657 4.574 20 0 JJADRN C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1)N(C)C(=O)OC(C)(C)C ZINC001360569758 1065563382 /nfs/dbraw/zinc/56/33/82/1065563382.db2.gz LOXMPPYNURXHBN-RXVVDRJESA-N 0 0 492.064 4.783 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)s1 ZINC001437508706 1065564182 /nfs/dbraw/zinc/56/41/82/1065564182.db2.gz UFWQMLJACVBCQR-XJKSGUPXSA-N 0 0 453.402 4.698 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001437506239 1065564268 /nfs/dbraw/zinc/56/42/68/1065564268.db2.gz OJMWHBYPVKXHTH-LUQKVYGDSA-N 0 0 463.803 4.917 20 0 JJADRN C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1)c1ccccc1 ZINC001360570923 1065564421 /nfs/dbraw/zinc/56/44/21/1065564421.db2.gz POBQGGLZQSRDIL-IRLDBZIGSA-N 0 0 469.630 4.771 20 0 JJADRN C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCCCCC1)N(C)C(=O)OC(C)(C)C ZINC001360570821 1065564537 /nfs/dbraw/zinc/56/45/37/1065564537.db2.gz VKMGHQZJXJVKGM-KRWDZBQOSA-N 0 0 463.573 4.783 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C1Cc2ccccc2C1)N(C)C(=O)OC(C)(C)C ZINC001360571025 1065565259 /nfs/dbraw/zinc/56/52/59/1065565259.db2.gz QRJPBBWCQPMSMB-GOSISDBHSA-N 0 0 455.647 4.726 20 0 JJADRN Cc1oc(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)cc1S(C)(=O)=O ZINC001360571722 1065565798 /nfs/dbraw/zinc/56/57/98/1065565798.db2.gz CEAHFUCVALDXQK-UHFFFAOYSA-N 0 0 455.576 4.768 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1ccc(Cl)cc1 ZINC001360572866 1065566167 /nfs/dbraw/zinc/56/61/67/1065566167.db2.gz AIQFDVMPYREPFI-DLBZAZTESA-N 0 0 461.944 4.866 20 0 JJADRN O=C(Nc1nc(Br)cc2ccccc21)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001437524286 1065566499 /nfs/dbraw/zinc/56/64/99/1065566499.db2.gz FCHDQCDMQUIROS-QGZVFWFLSA-N 0 0 454.324 4.595 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1C(F)(F)F ZINC001437525452 1065567059 /nfs/dbraw/zinc/56/70/59/1065567059.db2.gz QNAYWTURLKWAFR-RDJZCZTQSA-N 0 0 450.423 4.809 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1C(F)(F)F ZINC001437525450 1065567106 /nfs/dbraw/zinc/56/71/06/1065567106.db2.gz QNAYWTURLKWAFR-NVXWUHKLSA-N 0 0 450.423 4.809 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2nc(Br)cc3ccccc32)c1-c1ccccc1 ZINC001437526732 1065567268 /nfs/dbraw/zinc/56/72/68/1065567268.db2.gz KRGPCVNFNCWNMP-UHFFFAOYSA-N 0 0 454.349 4.835 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1)c1nccs1 ZINC001360573320 1065567349 /nfs/dbraw/zinc/56/73/49/1065567349.db2.gz JWTHVJXKZUYBFU-HNNXBMFYSA-N 0 0 450.534 4.693 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360573841 1065567596 /nfs/dbraw/zinc/56/75/96/1065567596.db2.gz UIPKIGWBJWJORQ-XXBNENTESA-N 0 0 467.589 4.654 20 0 JJADRN O=C(c1cc(Cl)c2ccccc2n1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001437529746 1065568157 /nfs/dbraw/zinc/56/81/57/1065568157.db2.gz YXHWSJLDCIVRAS-LIRRHRJNSA-N 0 0 453.892 4.684 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC2(CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360574464 1065568863 /nfs/dbraw/zinc/56/88/63/1065568863.db2.gz HWVIOCPFRKBEPU-FQEVSTJZSA-N 0 0 468.646 4.680 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)ccn1 ZINC001437547672 1065570916 /nfs/dbraw/zinc/57/09/16/1065570916.db2.gz IBJLDAMZFNCFOD-UHFFFAOYSA-N 0 0 458.518 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC001437547263 1065571028 /nfs/dbraw/zinc/57/10/28/1065571028.db2.gz GONKRGGXCXUAIB-MQSCRBSSSA-N 0 0 467.585 4.561 20 0 JJADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360575377 1065571237 /nfs/dbraw/zinc/57/12/37/1065571237.db2.gz VAGSUMCNHVOYEV-GGAORHGYSA-N 0 0 490.652 4.809 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360577322 1065572392 /nfs/dbraw/zinc/57/23/92/1065572392.db2.gz ATGRJCFKNGEROL-PKOBYXMFSA-N 0 0 457.644 4.515 20 0 JJADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001360577332 1065572471 /nfs/dbraw/zinc/57/24/71/1065572471.db2.gz BBFOUSHPXCQIKL-RTWAWAEBSA-N 0 0 495.693 4.775 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N(CCC(F)(F)F)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360578027 1065572886 /nfs/dbraw/zinc/57/28/86/1065572886.db2.gz GFPPUZDICBAUEA-OAHLLOKOSA-N 0 0 459.557 4.655 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCOC2(CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360577506 1065572956 /nfs/dbraw/zinc/57/29/56/1065572956.db2.gz BWWDRWHXJOXISV-FQEVSTJZSA-N 0 0 475.678 4.806 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC001437554237 1065573233 /nfs/dbraw/zinc/57/32/33/1065573233.db2.gz DIHMYLLNUUAHGU-AGHHOFFYSA-N 0 0 472.557 4.511 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001437553850 1065573267 /nfs/dbraw/zinc/57/32/67/1065573267.db2.gz UUIDAYNZPCFYNA-DHIUTWEWSA-N 0 0 452.599 4.911 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Sc1ccccc1 ZINC001360578572 1065573904 /nfs/dbraw/zinc/57/39/04/1065573904.db2.gz KISVFLBSVRKJGE-OAHLLOKOSA-N 0 0 464.561 4.800 20 0 JJADRN CCc1ccsc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001437556683 1065574612 /nfs/dbraw/zinc/57/46/12/1065574612.db2.gz CQQXBQMQGCGHBF-HKUYNNGSSA-N 0 0 462.587 4.981 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579002 1065575122 /nfs/dbraw/zinc/57/51/22/1065575122.db2.gz OSWDMBOLWPYKSY-PZJWPPBQSA-N 0 0 469.699 4.790 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360579074 1065575207 /nfs/dbraw/zinc/57/52/07/1065575207.db2.gz PQLMGQQKNBZFPG-OFNKIYASSA-N 0 0 483.657 4.544 20 0 JJADRN CCCCCCOCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 ZINC001437558006 1065575289 /nfs/dbraw/zinc/57/52/89/1065575289.db2.gz LEEARONYWUJIKJ-FPOVZHCZSA-N 0 0 466.594 4.640 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1)N(C)C(=O)OC(C)(C)C ZINC001360579169 1065575606 /nfs/dbraw/zinc/57/56/06/1065575606.db2.gz PLOMEGSDGXUIJC-MRXNPFEDSA-N 0 0 491.061 4.871 20 0 JJADRN CCC(CC)n1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)n1 ZINC001437558819 1065575684 /nfs/dbraw/zinc/57/56/84/1065575684.db2.gz OFVJWFZYPZDBRC-IFMALSPDSA-N 0 0 458.578 4.906 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC001437559065 1065576191 /nfs/dbraw/zinc/57/61/91/1065576191.db2.gz QCDIZMZXSCYOSW-RTFZILSDSA-N 0 0 472.557 4.511 20 0 JJADRN C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360579676 1065576256 /nfs/dbraw/zinc/57/62/56/1065576256.db2.gz WDOHJPNEFQTFKI-INIZCTEOSA-N 0 0 454.512 4.847 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360579677 1065576279 /nfs/dbraw/zinc/57/62/79/1065576279.db2.gz WDOHJPNEFQTFKI-MRXNPFEDSA-N 0 0 454.512 4.847 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC001437559468 1065576224 /nfs/dbraw/zinc/57/62/24/1065576224.db2.gz SVUBITWOLDIBEI-QXUYBEEESA-N 0 0 468.569 4.847 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(Cl)c(OC)c2)cc1 ZINC001437559685 1065576954 /nfs/dbraw/zinc/57/69/54/1065576954.db2.gz SEKAJMPMHJAHKC-FPOVZHCZSA-N 0 0 474.985 4.880 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360579942 1065577336 /nfs/dbraw/zinc/57/73/36/1065577336.db2.gz WBCDOZQJZJEJCB-UTKZUKDTSA-N 0 0 485.629 4.977 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccnc(C(F)(F)F)c2)cc1 ZINC001437560824 1065577402 /nfs/dbraw/zinc/57/74/02/1065577402.db2.gz WDEXPANFVIHWCS-OALUTQOASA-N 0 0 479.499 4.632 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)c1ccccc1Br ZINC001437561519 1065577584 /nfs/dbraw/zinc/57/75/84/1065577584.db2.gz DUQHPCIQJJDFGF-RVZJWNSFSA-N 0 0 454.723 4.766 20 0 JJADRN CC(C)Cc1ccc(C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)s1 ZINC001360580762 1065578457 /nfs/dbraw/zinc/57/84/57/1065578457.db2.gz KYBWIQRVXLDIBT-UHFFFAOYSA-N 0 0 458.443 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001545907801 1065578917 /nfs/dbraw/zinc/57/89/17/1065578917.db2.gz RMHDOQQMEZNFGR-DENIHFKCSA-N 0 0 481.689 4.686 20 0 JJADRN CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)ccn1 ZINC001360581680 1065579477 /nfs/dbraw/zinc/57/94/77/1065579477.db2.gz WTCNEOWWTPPQOD-UGKGYDQZSA-N 0 0 455.599 4.820 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001545907802 1065579501 /nfs/dbraw/zinc/57/95/01/1065579501.db2.gz RMHDOQQMEZNFGR-KNQAVFIVSA-N 0 0 481.689 4.686 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1cnc(-c2ccccc2)nc1 ZINC001437576484 1065579563 /nfs/dbraw/zinc/57/95/63/1065579563.db2.gz KDVCAXZOKNVLOC-SANMLTNESA-N 0 0 453.542 4.724 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1cnc(-c2ccccc2)nc1 ZINC001437576481 1065579600 /nfs/dbraw/zinc/57/96/00/1065579600.db2.gz KDVCAXZOKNVLOC-AREMUKBSSA-N 0 0 453.542 4.724 20 0 JJADRN CCc1nnnn1-c1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001360581802 1065579573 /nfs/dbraw/zinc/57/95/73/1065579573.db2.gz ZLFGZDGNFDPVFR-UHFFFAOYSA-N 0 0 458.469 4.548 20 0 JJADRN COCCCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001437578139 1065580102 /nfs/dbraw/zinc/58/01/02/1065580102.db2.gz FAXFLOGZJHSNOB-OAQYLSRUSA-N 0 0 454.567 4.588 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC001360582597 1065580208 /nfs/dbraw/zinc/58/02/08/1065580208.db2.gz VTCKZENAPIDCHD-WMLDXEAASA-N 0 0 453.327 4.588 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1 ZINC001360582742 1065580244 /nfs/dbraw/zinc/58/02/44/1065580244.db2.gz WYZYSPDWQDFWIM-XIFFEERXSA-N 0 0 459.571 4.687 20 0 JJADRN C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360583259 1065580773 /nfs/dbraw/zinc/58/07/73/1065580773.db2.gz ZUHLVMCDFURALT-INIZCTEOSA-N 0 0 499.965 4.690 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)(C)C)C1)Sc1ccccc1 ZINC001360583384 1065580841 /nfs/dbraw/zinc/58/08/41/1065580841.db2.gz CKPPQVYKXLSHCN-NQIIRXRSSA-N 0 0 499.706 4.702 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC001437582681 1065581110 /nfs/dbraw/zinc/58/11/10/1065581110.db2.gz XXMXDLUYMJBJNY-OAQYLSRUSA-N 0 0 454.320 4.764 20 0 JJADRN C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CO)CC1)c1nccs1 ZINC001360583461 1065581488 /nfs/dbraw/zinc/58/14/88/1065581488.db2.gz DVHRAEDUUNZYMU-GOSISDBHSA-N 0 0 469.655 4.624 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC001437585468 1065581769 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HAOFJXDGLBGQBZ-LLVKDONJSA-N 0 0 455.736 4.859 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Nc3cccc(OC(F)(F)F)c3)cn1)CO2 ZINC001437597541 1065583474 /nfs/dbraw/zinc/58/34/74/1065583474.db2.gz CRUBFCLXQPKHTR-HNNXBMFYSA-N 0 0 459.424 4.922 20 0 JJADRN O=C(Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001437602232 1065583537 /nfs/dbraw/zinc/58/35/37/1065583537.db2.gz JHFMDSZJFKEKGU-OAHLLOKOSA-N 0 0 456.424 4.715 20 0 JJADRN C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)c1nccs1 ZINC001360584198 1065583588 /nfs/dbraw/zinc/58/35/88/1065583588.db2.gz SOJUYMXANNGCJN-MRXNPFEDSA-N 0 0 459.591 4.650 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NCC[S@](=O)CC(F)(F)F)c2C1 ZINC001437604655 1065584174 /nfs/dbraw/zinc/58/41/74/1065584174.db2.gz ODWBBGYZLDLVJM-QLCIJSRNSA-N 0 0 454.558 4.817 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C)c1nccs1 ZINC001360584514 1065584314 /nfs/dbraw/zinc/58/43/14/1065584314.db2.gz XDAJZNQAFOFHEA-SFHVURJKSA-N 0 0 498.697 4.766 20 0 JJADRN C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC(C)(C)C1)N1CCOCC1 ZINC001360584372 1065584327 /nfs/dbraw/zinc/58/43/27/1065584327.db2.gz WIENNAYEQUACSG-OAQYLSRUSA-N 0 0 469.674 4.502 20 0 JJADRN C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)N1CCOCC1 ZINC001360584742 1065585019 /nfs/dbraw/zinc/58/50/19/1065585019.db2.gz ZJXREOQPZPMXOR-QGZVFWFLSA-N 0 0 482.456 4.511 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)c1cncc(N2CCCC2=O)c1)C(F)(F)F ZINC001437615148 1065585193 /nfs/dbraw/zinc/58/51/93/1065585193.db2.gz CKXFMCLSRSVEMS-QGZVFWFLSA-N 0 0 457.246 4.740 20 0 JJADRN COC1CC(CCNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 ZINC001437623143 1065585897 /nfs/dbraw/zinc/58/58/97/1065585897.db2.gz PROGLECHFVKPCA-UHFFFAOYSA-N 0 0 451.823 4.724 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C)Oc1cccc(F)c1 ZINC001360585987 1065586048 /nfs/dbraw/zinc/58/60/48/1065586048.db2.gz AEZXXPCTMAHRFY-YRIDSSQKSA-N 0 0 487.620 4.890 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001360585985 1065586094 /nfs/dbraw/zinc/58/60/94/1065586094.db2.gz AEZXXPCTMAHRFY-FKAKKMJLSA-N 0 0 487.620 4.890 20 0 JJADRN C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)c1nccs1 ZINC001360586351 1065586606 /nfs/dbraw/zinc/58/66/06/1065586606.db2.gz DLUPGAZARDYVQM-NSHDSACASA-N 0 0 462.352 4.584 20 0 JJADRN Cc1ccc(S[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c2ccccc2)c(C)c1 ZINC001437641245 1065587057 /nfs/dbraw/zinc/58/70/57/1065587057.db2.gz YHPSRNBBRBMKLJ-MISYRCLQSA-N 0 0 471.566 4.571 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360586434 1065587222 /nfs/dbraw/zinc/58/72/22/1065587222.db2.gz DYUUYJNFYGPTOW-ZWKOTPCHSA-N 0 0 475.609 4.533 20 0 JJADRN C[C@H](Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360586419 1065587284 /nfs/dbraw/zinc/58/72/84/1065587284.db2.gz DWUMEYLPFFKCSH-IEBWSBKVSA-N 0 0 459.610 4.964 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)C3(c4ccccc4)CCCCCC3)CC(=O)N2C(C)(C)C)cn1 ZINC001437646076 1065587628 /nfs/dbraw/zinc/58/76/28/1065587628.db2.gz UIIDTJXCIIXIRR-YKSBVNFPSA-N 0 0 450.627 4.517 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3cccs3)n2)CO1 ZINC001437644423 1065587806 /nfs/dbraw/zinc/58/78/06/1065587806.db2.gz ULBMMCFEPLXRGM-GOSISDBHSA-N 0 0 455.605 4.596 20 0 JJADRN C[C@H](Cn1c(N(C)Cc2ccc(F)cc2F)nnc1C(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001360586713 1065587732 /nfs/dbraw/zinc/58/77/32/1065587732.db2.gz GUKZSKPFUNRXHN-OAHLLOKOSA-N 0 0 451.562 4.746 20 0 JJADRN C[C@@H](Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360587012 1065587771 /nfs/dbraw/zinc/58/77/71/1065587771.db2.gz LJBAWNAIJABXQO-KRWDZBQOSA-N 0 0 471.552 4.764 20 0 JJADRN C[C@@H](Cn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360586920 1065587846 /nfs/dbraw/zinc/58/78/46/1065587846.db2.gz ISMBCDIBXRJISH-HNNXBMFYSA-N 0 0 490.530 4.777 20 0 JJADRN CCCc1nccnc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC001437648638 1065587871 /nfs/dbraw/zinc/58/78/71/1065587871.db2.gz GXIBXSJUZPEXJH-UHFFFAOYSA-N 0 0 455.301 4.789 20 0 JJADRN CCS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cc1 ZINC001437651106 1065588379 /nfs/dbraw/zinc/58/83/79/1065588379.db2.gz FNULGIIUYYZTCI-UHFFFAOYSA-N 0 0 450.398 4.832 20 0 JJADRN C[C@@H](Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001360587352 1065588469 /nfs/dbraw/zinc/58/84/69/1065588469.db2.gz MHVDOWXNLDQQDN-RBUKOAKNSA-N 0 0 489.636 4.875 20 0 JJADRN COC(=O)c1c(NC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)nc2n1CCC2 ZINC001437655303 1065588536 /nfs/dbraw/zinc/58/85/36/1065588536.db2.gz ZPLNOOXKGUJWGW-UHFFFAOYSA-N 0 0 451.335 4.607 20 0 JJADRN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC001545908401 1065588549 /nfs/dbraw/zinc/58/85/49/1065588549.db2.gz GMWXXBDOBNWCAD-ULLYJBBUSA-N 0 0 470.560 4.998 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC001437663981 1065589229 /nfs/dbraw/zinc/58/92/29/1065589229.db2.gz LEZNNMBTIPBQJY-SYJLOCQFSA-N 0 0 454.379 4.750 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2c(Br)ncc3ccccc32)cc1 ZINC001437664872 1065589257 /nfs/dbraw/zinc/58/92/57/1065589257.db2.gz IBGSHPSXNPNCIY-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN C[C@@H](Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001360587548 1065589283 /nfs/dbraw/zinc/58/92/83/1065589283.db2.gz REKMTDSVNAWVTF-KRWDZBQOSA-N 0 0 456.997 4.893 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)c1cc(C(C)(C)C)oc1C ZINC001437667761 1065589756 /nfs/dbraw/zinc/58/97/56/1065589756.db2.gz NRJUYUJGHOVOHH-GOSISDBHSA-N 0 0 452.345 4.643 20 0 JJADRN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001437670448 1065590217 /nfs/dbraw/zinc/59/02/17/1065590217.db2.gz ZGQHLTZMZOXRJC-QPJJXVBHSA-N 0 0 458.358 4.898 20 0 JJADRN C[C@@H](Cn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1C(C)(C)C)Oc1ccc(Cl)cc1 ZINC001360587943 1065590382 /nfs/dbraw/zinc/59/03/82/1065590382.db2.gz VGVREJKYALWQPH-HOTGVXAUSA-N 0 0 473.971 4.769 20 0 JJADRN C[C@H](Cn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360587905 1065590472 /nfs/dbraw/zinc/59/04/72/1065590472.db2.gz UTMSBBWUAUWUKS-UXHICEINSA-N 0 0 458.672 4.778 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Br)c2F)c1Cl ZINC001437684719 1065590779 /nfs/dbraw/zinc/59/07/79/1065590779.db2.gz FMLDZRMTXNTNGH-UHFFFAOYSA-N 0 0 455.132 4.941 20 0 JJADRN O=C([C@H](Oc1ccc(F)cc1Br)c1ccccc1)N1CCCc2cc[nH]c(=O)c21 ZINC001437679577 1065590869 /nfs/dbraw/zinc/59/08/69/1065590869.db2.gz PRMGBLBSSWDINM-HXUWFJFHSA-N 0 0 457.299 4.788 20 0 JJADRN C[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360588033 1065591092 /nfs/dbraw/zinc/59/10/92/1065591092.db2.gz WNRILDUXIAHJGJ-UYAOXDASSA-N 0 0 465.602 4.673 20 0 JJADRN C[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360588032 1065591211 /nfs/dbraw/zinc/59/12/11/1065591211.db2.gz WNRILDUXIAHJGJ-QUCCMNQESA-N 0 0 465.602 4.673 20 0 JJADRN COc1ccc(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c(C)c1OC ZINC001437689224 1065592085 /nfs/dbraw/zinc/59/20/85/1065592085.db2.gz YDBZAKAHFLDZSE-NRFANRHFSA-N 0 0 456.539 4.573 20 0 JJADRN COc1ccc(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)cc1S(=O)(=O)N1CCCCCC1 ZINC001437693616 1065592721 /nfs/dbraw/zinc/59/27/21/1065592721.db2.gz GGOXUIDWXNKHJE-SFHVURJKSA-N 0 0 456.608 4.586 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001360588955 1065593380 /nfs/dbraw/zinc/59/33/80/1065593380.db2.gz MESHUUYAUXSZMT-HSZRJFAPSA-N 0 0 457.640 4.732 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1F ZINC001360588809 1065593487 /nfs/dbraw/zinc/59/34/87/1065593487.db2.gz GLDBXYQGGRRCBV-GOSISDBHSA-N 0 0 454.473 4.652 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C ZINC001360589287 1065593893 /nfs/dbraw/zinc/59/38/93/1065593893.db2.gz XZSZZCZIDJCSAV-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001437703941 1065594028 /nfs/dbraw/zinc/59/40/28/1065594028.db2.gz URRUSQPJXAABBS-QAPCUYQASA-N 0 0 456.505 4.812 20 0 JJADRN O=C(CCOc1cccc(I)c1)NCc1c(Cl)oc2ccccc21 ZINC001437708226 1065594699 /nfs/dbraw/zinc/59/46/99/1065594699.db2.gz XDXMTPVXMIQWFJ-UHFFFAOYSA-N 0 0 455.679 4.776 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)Oc1ccccc1 ZINC001360590327 1065595107 /nfs/dbraw/zinc/59/51/07/1065595107.db2.gz HLQKOCMUWIORPU-MJGOQNOKSA-N 0 0 479.572 4.909 20 0 JJADRN CCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)n1 ZINC001437715826 1065595139 /nfs/dbraw/zinc/59/51/39/1065595139.db2.gz JPVRVBKQIGLCTB-UHFFFAOYSA-N 0 0 458.518 4.662 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)(c2ccccc2)C1 ZINC001437720590 1065595784 /nfs/dbraw/zinc/59/57/84/1065595784.db2.gz GLNODSJRCPCLPR-FYQCMVGJSA-N 0 0 456.627 4.808 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1)Oc1ccccc1 ZINC001360590694 1065596249 /nfs/dbraw/zinc/59/62/49/1065596249.db2.gz ODYHSWHLXFXMMW-NQIIRXRSSA-N 0 0 455.603 4.664 20 0 JJADRN CCc1nc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)nn1-c1c(Cl)cccc1Cl ZINC001437731244 1065596492 /nfs/dbraw/zinc/59/64/92/1065596492.db2.gz VUFMVEOCEOCKLK-HOTGVXAUSA-N 0 0 451.398 4.993 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1)N(C)C(=O)OC(C)(C)C ZINC001360590877 1065596904 /nfs/dbraw/zinc/59/69/04/1065596904.db2.gz RWTGWNSWBZTPTB-IIBYNOLFSA-N 0 0 491.583 4.832 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C)Oc1ccccc1 ZINC001360590957 1065597316 /nfs/dbraw/zinc/59/73/16/1065597316.db2.gz TXAFBCFNGMIHDL-ZVDOUQERSA-N 0 0 487.670 4.759 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360590973 1065597535 /nfs/dbraw/zinc/59/75/35/1065597535.db2.gz UEBOEZRGKILKDZ-RDTXWAMCSA-N 0 0 486.922 4.598 20 0 JJADRN COc1cccc([C@]2(C)CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)C2)c1 ZINC001437738115 1065597874 /nfs/dbraw/zinc/59/78/74/1065597874.db2.gz YBAMSNANKJCOFM-ATIYNZHBSA-N 0 0 456.558 4.633 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccco1)N(C)c1ccccc1 ZINC001360591212 1065597840 /nfs/dbraw/zinc/59/78/40/1065597840.db2.gz YUFOODKIRXUYOK-UEVCKROQSA-N 0 0 451.615 4.951 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001437742762 1065598278 /nfs/dbraw/zinc/59/82/78/1065598278.db2.gz HGIDUEXKUAACSR-QGZVFWFLSA-N 0 0 457.137 4.873 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCc3sc(Br)cc3C2)cc1 ZINC001437747119 1065599411 /nfs/dbraw/zinc/59/94/11/1065599411.db2.gz AQDZNYHLGIYCHU-UHFFFAOYSA-N 0 0 451.386 4.985 20 0 JJADRN COc1ccc2c(c1)CCN(C(=O)CC1(CNC(=O)OCc3ccccc3)CCCCC1)C2 ZINC001437746555 1065599463 /nfs/dbraw/zinc/59/94/63/1065599463.db2.gz GRFHRVPTMAVMDW-UHFFFAOYSA-N 0 0 450.579 4.847 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N(C(=O)COc2c(I)cc(Cl)c3cccnc32)C1 ZINC001437747141 1065599518 /nfs/dbraw/zinc/59/95/18/1065599518.db2.gz AIORGMDPRIUHEF-CHWSQXEVSA-N 0 0 472.754 4.909 20 0 JJADRN CCCN(Cc1ccccc1F)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001437749867 1065600706 /nfs/dbraw/zinc/60/07/06/1065600706.db2.gz PWNDHZTYZDYRPG-UHFFFAOYSA-N 0 0 451.727 4.875 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)nc2)c1 ZINC001437754984 1065601488 /nfs/dbraw/zinc/60/14/88/1065601488.db2.gz XETYSZCUQUFSPY-UHFFFAOYSA-N 0 0 454.412 4.686 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001437771046 1065603849 /nfs/dbraw/zinc/60/38/49/1065603849.db2.gz IZXZLBLOUHVRQJ-UHFFFAOYSA-N 0 0 455.805 4.641 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3cccc(C4CCCCC4)c3)cc2)C[C@H](C)O1 ZINC001437778796 1065604720 /nfs/dbraw/zinc/60/47/20/1065604720.db2.gz VBHAXQITLUMBEG-OALUTQOASA-N 0 0 457.592 4.751 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001437788341 1065605247 /nfs/dbraw/zinc/60/52/47/1065605247.db2.gz GLOZHORIWMCPKP-IBGZPJMESA-N 0 0 453.539 4.655 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)cc1 ZINC001437788293 1065605377 /nfs/dbraw/zinc/60/53/77/1065605377.db2.gz FBDXCQDFAMCHMS-GOSISDBHSA-N 0 0 453.568 4.670 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1F ZINC001437790796 1065606870 /nfs/dbraw/zinc/60/68/70/1065606870.db2.gz DTCKTDKYBRFJRG-HNNXBMFYSA-N 0 0 459.905 4.533 20 0 JJADRN Cc1ccc(F)c(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)c1Br ZINC001360595664 1065607539 /nfs/dbraw/zinc/60/75/39/1065607539.db2.gz BTXNTJCGHAMYGI-UHFFFAOYSA-N 0 0 457.365 4.534 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc(Br)cc(OC(C)C)c2)cc1F ZINC001437792557 1065607838 /nfs/dbraw/zinc/60/78/38/1065607838.db2.gz IULXUXPINMRXBH-LBPRGKRZSA-N 0 0 454.292 4.568 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001360595884 1065608262 /nfs/dbraw/zinc/60/82/62/1065608262.db2.gz JICQOCFFFHECMF-UZLBHIALSA-N 0 0 459.384 4.574 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)cs2)cc1 ZINC001360595830 1065608322 /nfs/dbraw/zinc/60/83/22/1065608322.db2.gz IFZNTHTXPYSJFO-UHFFFAOYSA-N 0 0 457.621 4.680 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC001360595947 1065608330 /nfs/dbraw/zinc/60/83/30/1065608330.db2.gz LDHYWKXUXKCTSR-KRWDZBQOSA-N 0 0 457.324 4.756 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3csc4c3CC[C@H](C)C4)cc2)CC1 ZINC001360596255 1065608388 /nfs/dbraw/zinc/60/83/88/1065608388.db2.gz UTUKJEAUQQSPGM-INIZCTEOSA-N 0 0 454.592 4.541 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)O1 ZINC001437792649 1065608440 /nfs/dbraw/zinc/60/84/40/1065608440.db2.gz GXLLUTLOGUNKGO-MWLCHTKSSA-N 0 0 452.811 4.565 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2nc(-c3cccs3)no2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437794560 1065608494 /nfs/dbraw/zinc/60/84/94/1065608494.db2.gz MHLFIDXZAFBZIL-IAGOWNOFSA-N 0 0 462.616 4.663 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001437795420 1065609346 /nfs/dbraw/zinc/60/93/46/1065609346.db2.gz DIPBIUCYAHVGFN-CRAIPNDOSA-N 0 0 455.358 4.556 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437795743 1065609388 /nfs/dbraw/zinc/60/93/88/1065609388.db2.gz WALTYQBDIOHKMF-CJNGLKHVSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@]1(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1(F)F ZINC001437797666 1065609987 /nfs/dbraw/zinc/60/99/87/1065609987.db2.gz JSTCIHUNXLPSDF-FQEVSTJZSA-N 0 0 453.272 4.959 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC001437797743 1065609996 /nfs/dbraw/zinc/60/99/96/1065609996.db2.gz QRLNVUZELQKEBT-UHFFFAOYSA-N 0 0 451.342 4.542 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001437796967 1065610055 /nfs/dbraw/zinc/61/00/55/1065610055.db2.gz GKKOYCQGTNIPLC-CRAIPNDOSA-N 0 0 455.358 4.556 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)COc2ccccc2OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001437812764 1065613198 /nfs/dbraw/zinc/61/31/98/1065613198.db2.gz BYPICCWMWWBJJX-LEWJYISDSA-N 0 0 454.567 4.549 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)CCN1C(=O)OC(C)(C)C ZINC001437813982 1065613263 /nfs/dbraw/zinc/61/32/63/1065613263.db2.gz HZDYUNWRIZRCGX-DLBZAZTESA-N 0 0 476.980 4.671 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2cc(C)nc3ccc(Br)cc32)CCN1C(=O)OC(C)(C)C ZINC001437814891 1065614356 /nfs/dbraw/zinc/61/43/56/1065614356.db2.gz KEHJENNFEJNGCK-RBUKOAKNSA-N 0 0 462.388 4.824 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)nnn1-c1cccc(Cl)c1 ZINC001437814638 1065614384 /nfs/dbraw/zinc/61/43/84/1065614384.db2.gz XDPXLCSKYZIZRD-SECBINFHSA-N 0 0 455.690 4.761 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)nnn1-c1cccc(Cl)c1 ZINC001437814639 1065614435 /nfs/dbraw/zinc/61/44/35/1065614435.db2.gz XDPXLCSKYZIZRD-VIFPVBQESA-N 0 0 455.690 4.761 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CCN1C(=O)OC(C)(C)C ZINC001437817487 1065615000 /nfs/dbraw/zinc/61/50/00/1065615000.db2.gz WXRWUTPDTFOTKM-FCHUYYIVSA-N 0 0 475.033 4.898 20 0 JJADRN COc1cc(C(=O)NCc2sc(C)cc2Br)ccc1OCc1cscn1 ZINC001437816830 1065615022 /nfs/dbraw/zinc/61/50/22/1065615022.db2.gz MTWDUBILBGPMMJ-UHFFFAOYSA-N 0 0 453.383 4.793 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001437821982 1065615742 /nfs/dbraw/zinc/61/57/42/1065615742.db2.gz CYVVDROAFIEECR-QGZVFWFLSA-N 0 0 452.904 4.790 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2cn(C)nc2-c2ccco2)s1 ZINC001437825150 1065615937 /nfs/dbraw/zinc/61/59/37/1065615937.db2.gz SUXPEGGDINNTGX-UHFFFAOYSA-N 0 0 459.325 4.827 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(F)cc1Br)c1ccccc1 ZINC001437840151 1065617471 /nfs/dbraw/zinc/61/74/71/1065617471.db2.gz NRWZDQZWPPZBSP-QZTJIDSGSA-N 0 0 453.739 4.713 20 0 JJADRN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1I ZINC001437840859 1065617501 /nfs/dbraw/zinc/61/75/01/1065617501.db2.gz ULCAKPQYNPMGGD-SCLBCKFNSA-N 0 0 455.723 4.855 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001360598182 1065617446 /nfs/dbraw/zinc/61/74/46/1065617446.db2.gz XDYCCERTZXCQBE-LJQANCHMSA-N 0 0 458.587 4.870 20 0 JJADRN CC(C)c1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001437840111 1065617527 /nfs/dbraw/zinc/61/75/27/1065617527.db2.gz NARFNCOOGVCDIF-UHFFFAOYSA-N 0 0 456.942 4.781 20 0 JJADRN CCOC(=O)c1ccc(Cl)c(OC)c1NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC001437838648 1065617612 /nfs/dbraw/zinc/61/76/12/1065617612.db2.gz BYYPYUGCMBHBAP-LJQANCHMSA-N 0 0 458.942 4.535 20 0 JJADRN C[C@H](NC(=O)CCC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccccc1 ZINC001437841626 1065618442 /nfs/dbraw/zinc/61/84/42/1065618442.db2.gz KRUKRXGACMQGSI-HTAPYJJXSA-N 0 0 451.567 4.795 20 0 JJADRN O=C(N[C@@H]1CCCSc2ccc(Br)cc21)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001437845528 1065618964 /nfs/dbraw/zinc/61/89/64/1065618964.db2.gz DCNRSUASVGFRBA-SWLSCSKDSA-N 0 0 451.352 4.767 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001545910352 1065620858 /nfs/dbraw/zinc/62/08/58/1065620858.db2.gz SNPVTNUTDMUNHF-MEBBXXQBSA-N 0 0 461.282 4.993 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(OCC(F)F)c1 ZINC001437854526 1065621031 /nfs/dbraw/zinc/62/10/31/1065621031.db2.gz YVDRSFWFEMWKAN-UHFFFAOYSA-N 0 0 458.465 4.572 20 0 JJADRN Cc1nc(SC(F)F)sc1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC001437868144 1065621682 /nfs/dbraw/zinc/62/16/82/1065621682.db2.gz BIEISKLCKMSJMC-QGZVFWFLSA-N 0 0 454.564 4.776 20 0 JJADRN Cc1ccc(/C=C\C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC001360600425 1065622488 /nfs/dbraw/zinc/62/24/88/1065622488.db2.gz DSMVWCGOEDHLHF-MLPAPPSSSA-N 0 0 450.336 4.734 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001437871288 1065622609 /nfs/dbraw/zinc/62/26/09/1065622609.db2.gz RDZFDUIMRBIWLN-HZPDHXFCSA-N 0 0 469.351 4.889 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001437869629 1065622766 /nfs/dbraw/zinc/62/27/66/1065622766.db2.gz CKKYPPKETNRORH-JOCHJYFZSA-N 0 0 452.551 4.959 20 0 JJADRN CC1(C)CO[C@H](CCC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001360601161 1065623017 /nfs/dbraw/zinc/62/30/17/1065623017.db2.gz PMAOJQSJTHCZEZ-HXUWFJFHSA-N 0 0 459.384 4.913 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)C1CC1 ZINC001360601087 1065623048 /nfs/dbraw/zinc/62/30/48/1065623048.db2.gz YNGWGOUHEAFWHU-UHFFFAOYSA-N 0 0 458.946 4.715 20 0 JJADRN O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001360600945 1065623113 /nfs/dbraw/zinc/62/31/13/1065623113.db2.gz LZJFTBPXXXBDRP-UHFFFAOYSA-N 0 0 459.449 4.759 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001437873526 1065623298 /nfs/dbraw/zinc/62/32/98/1065623298.db2.gz IVWSWBVHKCWLCE-QFIPXVFZSA-N 0 0 454.954 4.548 20 0 JJADRN C[C@H]1c2ccccc2OCCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001437877730 1065624195 /nfs/dbraw/zinc/62/41/95/1065624195.db2.gz NTHXVWYYVXRONH-AWEZNQCLSA-N 0 0 455.308 4.890 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2csc(C)n2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001545910582 1065624246 /nfs/dbraw/zinc/62/42/46/1065624246.db2.gz BSBOOIFUJBMUGA-NRYAXDJKSA-N 0 0 474.675 4.651 20 0 JJADRN O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)C1(c2ccc(I)cc2)CC1 ZINC001437885686 1065625004 /nfs/dbraw/zinc/62/50/04/1065625004.db2.gz OHVPKNFPRQKKEO-INIZCTEOSA-N 0 0 455.242 4.748 20 0 JJADRN COCCS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccc3ccccc3c2)C(F)(F)F)cc1 ZINC001437892754 1065625788 /nfs/dbraw/zinc/62/57/88/1065625788.db2.gz UWHGYYZHHFESQW-FQEVSTJZSA-N 0 0 452.450 4.720 20 0 JJADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)cc1 ZINC001437893203 1065625831 /nfs/dbraw/zinc/62/58/31/1065625831.db2.gz IQRSQHFARZVLBO-IBGZPJMESA-N 0 0 456.970 4.816 20 0 JJADRN CN(CCOc1ccccc1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C(=O)OC(C)(C)C ZINC001437895274 1065626677 /nfs/dbraw/zinc/62/66/77/1065626677.db2.gz KQWLBFCRLGTAAA-BAGYTPMASA-N 0 0 456.970 4.654 20 0 JJADRN COCc1c(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)cnn1-c1ccccc1 ZINC001437898600 1065627506 /nfs/dbraw/zinc/62/75/06/1065627506.db2.gz XJGAALAZTFWNSY-NRFANRHFSA-N 0 0 454.368 4.979 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001437896958 1065627592 /nfs/dbraw/zinc/62/75/92/1065627592.db2.gz NYGCISMSIQXOQV-PGRDOPGGSA-N 0 0 451.510 4.590 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cn2)cc1 ZINC001437897070 1065627731 /nfs/dbraw/zinc/62/77/31/1065627731.db2.gz UGNLWWZVYBNCAV-SFHVURJKSA-N 0 0 450.564 4.641 20 0 JJADRN O=C(NCC(F)(F)c1ccc(Br)cc1)c1cccc(C(=O)N2CCCCC2)c1 ZINC001437903249 1065628328 /nfs/dbraw/zinc/62/83/28/1065628328.db2.gz DHDLANOTRZGDPH-UHFFFAOYSA-N 0 0 451.311 4.597 20 0 JJADRN O=C(N1CCC[C@@H]2CCCC[C@@H]21)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC001437902694 1065628420 /nfs/dbraw/zinc/62/84/20/1065628420.db2.gz NMCJZTLSWIHNBO-LPHOPBHVSA-N 0 0 454.430 4.717 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)Oc3cc(Cl)cc(Br)c3)CCC(=O)N2C)cc1 ZINC001437906421 1065629357 /nfs/dbraw/zinc/62/93/57/1065629357.db2.gz SXOPBTGKXZMLOI-HKUYNNGSSA-N 0 0 452.732 4.626 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC001437906888 1065630054 /nfs/dbraw/zinc/63/00/54/1065630054.db2.gz IJKOEQPCASPTBV-LJQANCHMSA-N 0 0 452.776 4.657 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCC[C@@H]1CCCCO1 ZINC001545910788 1065630133 /nfs/dbraw/zinc/63/01/33/1065630133.db2.gz JIXSZTWEBBGRPY-ZEQRLZLVSA-N 0 0 483.657 4.514 20 0 JJADRN O=C(Cc1csc(CCC(F)(F)F)n1)NCC(F)(F)c1ccc(Br)cc1 ZINC001437907686 1065630149 /nfs/dbraw/zinc/63/01/49/1065630149.db2.gz QKTGBACHPGFCSG-UHFFFAOYSA-N 0 0 457.262 4.851 20 0 JJADRN CO[C@H](CC(C)C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001437927238 1065630935 /nfs/dbraw/zinc/63/09/35/1065630935.db2.gz DBKCLMNVWYEPJQ-XMMPIXPASA-N 0 0 450.579 4.765 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(F)(F)F)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360606317 1065631396 /nfs/dbraw/zinc/63/13/96/1065631396.db2.gz BRIARVJZORNBFA-LSDHHAIUSA-N 0 0 489.514 4.717 20 0 JJADRN CC(C)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360606591 1065631496 /nfs/dbraw/zinc/63/14/96/1065631496.db2.gz DMEMFBAHWZAAGH-IBGZPJMESA-N 0 0 489.636 4.887 20 0 JJADRN O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001437929433 1065631821 /nfs/dbraw/zinc/63/18/21/1065631821.db2.gz KKYQXLVZWDNCAU-QGZVFWFLSA-N 0 0 451.727 4.894 20 0 JJADRN C[C@@H](C(=O)N(Cc1ccc(Br)cc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001437930808 1065631933 /nfs/dbraw/zinc/63/19/33/1065631933.db2.gz MGGSERXSVQAOPG-OAHLLOKOSA-N 0 0 452.414 4.783 20 0 JJADRN C[C@H](C(=O)N(Cc1ccc(Br)cc1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001437930805 1065631964 /nfs/dbraw/zinc/63/19/64/1065631964.db2.gz MGGSERXSVQAOPG-HNNXBMFYSA-N 0 0 452.414 4.783 20 0 JJADRN 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ZINC001438024037 1065653442 /nfs/dbraw/zinc/65/34/42/1065653442.db2.gz COUQKNARZMSFAC-NRFANRHFSA-N 0 0 457.315 4.532 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2cccc3c2OC(F)(F)O3)c1Cl ZINC001438022683 1065653490 /nfs/dbraw/zinc/65/34/90/1065653490.db2.gz ASOYGTSEFMYRAC-UHFFFAOYSA-N 0 0 454.857 4.867 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001360612437 1065653538 /nfs/dbraw/zinc/65/35/38/1065653538.db2.gz UJZIUEPRMFKOQV-VAMGGRTRSA-N 0 0 466.630 4.534 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc(Cl)c1Br ZINC001438026087 1065654045 /nfs/dbraw/zinc/65/40/45/1065654045.db2.gz QYPWOXPVQJWHBP-XOBRGWDASA-N 0 0 457.796 4.930 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc(Cl)c1Br ZINC001438026083 1065654116 /nfs/dbraw/zinc/65/41/16/1065654116.db2.gz QYPWOXPVQJWHBP-VBKZILBWSA-N 0 0 457.796 4.930 20 0 JJADRN CCOC(=O)CC1(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CCOCC1 ZINC001438027756 1065654146 /nfs/dbraw/zinc/65/41/46/1065654146.db2.gz UZGWHTFPJOQONQ-UHFFFAOYSA-N 0 0 457.470 4.546 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360613216 1065655811 /nfs/dbraw/zinc/65/58/11/1065655811.db2.gz BJHFLAGNQRUTTC-AZUAARDMSA-N 0 0 475.609 4.782 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C)CC1 ZINC001360613104 1065655917 /nfs/dbraw/zinc/65/59/17/1065655917.db2.gz AJJODKRCFOZSDB-VAMGGRTRSA-N 0 0 477.694 4.984 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001360613083 1065656020 /nfs/dbraw/zinc/65/60/20/1065656020.db2.gz AEZXLTBUSLPNFZ-JYAXBFRTSA-N 0 0 482.547 4.529 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)Nc2nc(C(=O)OCC)c(Br)s2)cc1 ZINC001438033345 1065656779 /nfs/dbraw/zinc/65/67/79/1065656779.db2.gz RCPNNALDPFZPQT-UHFFFAOYSA-N 0 0 454.390 4.961 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001360613297 1065656808 /nfs/dbraw/zinc/65/68/08/1065656808.db2.gz GZEJVBDYVXPUDD-CEWLAPEOSA-N 0 0 482.547 4.530 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360613398 1065656829 /nfs/dbraw/zinc/65/68/29/1065656829.db2.gz HVPUHMOUGHCAOD-IFMALSPDSA-N 0 0 485.673 4.780 20 0 JJADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001438039388 1065657610 /nfs/dbraw/zinc/65/76/10/1065657610.db2.gz CJJYMXXWLQXEMJ-UHFFFAOYSA-N 0 0 452.979 4.626 20 0 JJADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CCC1=CCCCC1 ZINC001360613894 1065658534 /nfs/dbraw/zinc/65/85/34/1065658534.db2.gz LRAQSCASEIGPLY-CQSZACIVSA-N 0 0 487.489 4.529 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nccs1 ZINC001360613844 1065658617 /nfs/dbraw/zinc/65/86/17/1065658617.db2.gz IFDYFGBHZODOCA-QGZVFWFLSA-N 0 0 469.014 4.939 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)COCc2ccccc2)CCS1 ZINC001360613961 1065659218 /nfs/dbraw/zinc/65/92/18/1065659218.db2.gz JEQSWOWXLVDVLO-WWNPGLIZSA-N 0 0 458.672 4.950 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)COCc2ccccc2)CCS1 ZINC001360613959 1065659417 /nfs/dbraw/zinc/65/94/17/1065659417.db2.gz JEQSWOWXLVDVLO-PMVMPFDFSA-N 0 0 458.672 4.950 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360614416 1065660287 /nfs/dbraw/zinc/66/02/87/1065660287.db2.gz PFUXMTXWAWKAFR-RYXOHYEVSA-N 0 0 458.622 4.844 20 0 JJADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360614925 1065661924 /nfs/dbraw/zinc/66/19/24/1065661924.db2.gz SWYLFDREXGVFKP-FRFSOERESA-N 0 0 478.968 4.761 20 0 JJADRN C[C@H](c1nccs1)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360615597 1065663498 /nfs/dbraw/zinc/66/34/98/1065663498.db2.gz XZCZVVQLBXYRSV-LEWJYISDSA-N 0 0 482.698 4.768 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(N2CCN([C@@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC001360615602 1065663531 /nfs/dbraw/zinc/66/35/31/1065663531.db2.gz XZCZVVQLBXYRSV-SFTDATJTSA-N 0 0 482.698 4.768 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001360615538 1065663562 /nfs/dbraw/zinc/66/35/62/1065663562.db2.gz UIASZDKVAJYVAO-SFTDATJTSA-N 0 0 495.693 4.995 20 0 JJADRN COC[C@H](C)Oc1ccc(COC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1 ZINC001438064186 1065664044 /nfs/dbraw/zinc/66/40/44/1065664044.db2.gz CGWFMLPBUGHTSN-INIZCTEOSA-N 0 0 459.340 4.714 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1 ZINC001360615799 1065664342 /nfs/dbraw/zinc/66/43/42/1065664342.db2.gz VYEBNMZXYLWZDY-QAPCUYQASA-N 0 0 473.528 4.626 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001360615962 1065664968 /nfs/dbraw/zinc/66/49/68/1065664968.db2.gz WOWYZHPNJTXWTE-SFTDATJTSA-N 0 0 476.625 4.651 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[C@@H]1C ZINC001438071112 1065665796 /nfs/dbraw/zinc/66/57/96/1065665796.db2.gz KFVQESNYTUAQCU-JXXFODFXSA-N 0 0 454.571 4.768 20 0 JJADRN C[C@H](COCc1ccccc1)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360616050 1065665971 /nfs/dbraw/zinc/66/59/71/1065665971.db2.gz YCLKZRCAFOSGKW-WIOPSUGQSA-N 0 0 477.653 4.901 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360616139 1065665991 /nfs/dbraw/zinc/66/59/91/1065665991.db2.gz ZHYHPPXGBGZCDM-HLIPFELVSA-N 0 0 490.421 4.693 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360616048 1065666013 /nfs/dbraw/zinc/66/60/13/1065666013.db2.gz YCLKZRCAFOSGKW-RCZVLFRGSA-N 0 0 477.653 4.901 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC001360617483 1065666399 /nfs/dbraw/zinc/66/63/99/1065666399.db2.gz XMDOGPCJPNDYFZ-UPKQVVFYSA-N 0 0 451.567 4.963 20 0 JJADRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001360617281 1065666511 /nfs/dbraw/zinc/66/65/11/1065666511.db2.gz UNULYRMGDZHCIT-SFHVURJKSA-N 0 0 452.526 4.719 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)[C@H]1C ZINC001438083711 1065666435 /nfs/dbraw/zinc/66/64/35/1065666435.db2.gz CCRKFHYEEONCSX-XXECKMAJSA-N 0 0 470.532 4.709 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cs1 ZINC001360621030 1065668174 /nfs/dbraw/zinc/66/81/74/1065668174.db2.gz PNZYNAXPIUXMRL-UHFFFAOYSA-N 0 0 451.621 4.820 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(I)cc1F ZINC001360621114 1065668223 /nfs/dbraw/zinc/66/82/23/1065668223.db2.gz RHHLDLKPTOXGKT-LJQANCHMSA-N 0 0 453.295 4.644 20 0 JJADRN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CCCC1 ZINC001360622622 1065668234 /nfs/dbraw/zinc/66/82/34/1065668234.db2.gz JYHPSWNZXFAFMU-HNNXBMFYSA-N 0 0 489.469 4.614 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)C(F)(F)F ZINC001545913104 1065668340 /nfs/dbraw/zinc/66/83/40/1065668340.db2.gz RDIHXUBPMNBVHN-MRXNPFEDSA-N 0 0 458.362 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)Cc2ccc(Br)s2)C1 ZINC001360625786 1065669698 /nfs/dbraw/zinc/66/96/98/1065669698.db2.gz MAUPOOQKAYLTCD-UHFFFAOYSA-N 0 0 451.386 4.985 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCCCC1 ZINC001438095758 1065669989 /nfs/dbraw/zinc/66/99/89/1065669989.db2.gz FNBWBZJQXRJSBD-UHFFFAOYSA-N 0 0 451.567 4.641 20 0 JJADRN CC(F)(F)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001360626481 1065671403 /nfs/dbraw/zinc/67/14/03/1065671403.db2.gz KRKFMWHDLOWNCG-UHFFFAOYSA-N 0 0 490.532 4.787 20 0 JJADRN COc1cc(-c2cc(C(=O)NCC[C@@H]3CCCS3)c3ccccc3n2)cc(OC)c1OC ZINC001438104060 1065671596 /nfs/dbraw/zinc/67/15/96/1065671596.db2.gz LEMSKOXHSQQXMU-KRWDZBQOSA-N 0 0 452.576 4.943 20 0 JJADRN CC(C)(C)[C@@]1(C)CN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(C)(F)F)c2)CCO1 ZINC001360626779 1065672228 /nfs/dbraw/zinc/67/22/28/1065672228.db2.gz UTQQAHPFAKDBLO-YADARESESA-N 0 0 462.585 4.974 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1Br ZINC001438109913 1065672260 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CC(C)(C)n1ncc(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c1I ZINC001438122488 1065675080 /nfs/dbraw/zinc/67/50/80/1065675080.db2.gz VDPPWOZTQWLYIT-UHFFFAOYSA-N 0 0 451.308 4.679 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3OC(C)(C)C=C4)cc2)C1 ZINC001438123752 1065675978 /nfs/dbraw/zinc/67/59/78/1065675978.db2.gz YHLBIQZCKFWKMX-ROUUACIJSA-N 0 0 454.592 4.790 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC(C)(F)F)C1 ZINC001360629450 1065676384 /nfs/dbraw/zinc/67/63/84/1065676384.db2.gz YUIUXAYSLYNTRM-HZPDHXFCSA-N 0 0 477.547 4.919 20 0 JJADRN CC(F)(F)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001360629234 1065676499 /nfs/dbraw/zinc/67/64/99/1065676499.db2.gz TYYXSPUJFGRLER-GOSISDBHSA-N 0 0 484.538 4.747 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC(C)(F)F)C1 ZINC001360629451 1065676510 /nfs/dbraw/zinc/67/65/10/1065676510.db2.gz YUIUXAYSLYNTRM-JKSUJKDBSA-N 0 0 477.547 4.919 20 0 JJADRN CC(F)(F)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001360629089 1065676561 /nfs/dbraw/zinc/67/65/61/1065676561.db2.gz PMBNAFGRVLGZMB-LJQANCHMSA-N 0 0 457.500 4.548 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC001360629834 1065677214 /nfs/dbraw/zinc/67/72/14/1065677214.db2.gz OAYLXLKCVWPXRX-OAQYLSRUSA-N 0 0 454.636 4.774 20 0 JJADRN COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001438141853 1065677948 /nfs/dbraw/zinc/67/79/48/1065677948.db2.gz OXZZIPAFONUOMD-CNNODRBYSA-N 0 0 458.624 4.694 20 0 JJADRN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC(C)(F)F ZINC001360630302 1065678024 /nfs/dbraw/zinc/67/80/24/1065678024.db2.gz GMJDLQUYLPISIQ-IFMALSPDSA-N 0 0 495.659 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCCC3(CCOCC3)C2)n1CCC(C)(F)F ZINC001360630315 1065678159 /nfs/dbraw/zinc/67/81/59/1065678159.db2.gz GZDBCFOSMKZGJX-SFHVURJKSA-N 0 0 483.604 4.792 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O ZINC001438142044 1065679003 /nfs/dbraw/zinc/67/90/03/1065679003.db2.gz QTFLAFKBLDIUFI-KZULUSFZSA-N 0 0 452.860 4.686 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H]3CCc4ccc(Cl)cc43)cc2)c1 ZINC001438146804 1065679653 /nfs/dbraw/zinc/67/96/53/1065679653.db2.gz IEHCWJRFGSISEA-QHCPKHFHSA-N 0 0 450.922 4.783 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)nn1-c1ccc(Cl)cc1 ZINC001360631161 1065679581 /nfs/dbraw/zinc/67/95/81/1065679581.db2.gz JWDHGKMNADHKIT-KRWDZBQOSA-N 0 0 459.937 4.972 20 0 JJADRN CO[C@@H](C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1C(F)(F)F ZINC001360631103 1065679719 /nfs/dbraw/zinc/67/97/19/1065679719.db2.gz IOCBMAAGKGVBFM-QVKFZJNVSA-N 0 0 457.452 4.918 20 0 JJADRN C[C@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631468 1065681325 /nfs/dbraw/zinc/68/13/25/1065681325.db2.gz RSHMADXPUOIFPI-JTSKRJEESA-N 0 0 451.567 4.659 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631608 1065681354 /nfs/dbraw/zinc/68/13/54/1065681354.db2.gz VZNZCEQGHLNUFV-MRXNPFEDSA-N 0 0 452.352 4.825 20 0 JJADRN C[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631637 1065681420 /nfs/dbraw/zinc/68/14/20/1065681420.db2.gz WNNAMPUQHHIJBF-LJQANCHMSA-N 0 0 451.530 4.988 20 0 JJADRN O=C(N[C@@H]1CCCc2ccc(Cl)cc21)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001438151247 1065681287 /nfs/dbraw/zinc/68/12/87/1065681287.db2.gz FMABBVXNENQRJY-OXJNMPFZSA-N 0 0 450.888 4.901 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001360631910 1065682250 /nfs/dbraw/zinc/68/22/50/1065682250.db2.gz DKCKBWRQSFWDPY-ZIAGYGMSSA-N 0 0 478.897 4.502 20 0 JJADRN C[C@H](N1CCN(c2nnc(C(C)(C)C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1)C(F)(F)F ZINC001360631989 1065682986 /nfs/dbraw/zinc/68/29/86/1065682986.db2.gz GFGLECMYMTXHAM-KKUMJFAQSA-N 0 0 455.491 4.942 20 0 JJADRN 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451.688 4.823 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)c2ccc(Cl)cc21 ZINC001360633009 1065686508 /nfs/dbraw/zinc/68/65/08/1065686508.db2.gz GJXDRPQCSXIVNZ-INIZCTEOSA-N 0 0 455.967 4.598 20 0 JJADRN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001360633343 1065687371 /nfs/dbraw/zinc/68/73/71/1065687371.db2.gz NDFTXFJYOYNMHK-KRWDZBQOSA-N 0 0 456.237 4.975 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001360633452 1065687379 /nfs/dbraw/zinc/68/73/79/1065687379.db2.gz QEEDCEGOUXGANH-QFIPXVFZSA-N 0 0 450.336 4.735 20 0 JJADRN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001360633344 1065687392 /nfs/dbraw/zinc/68/73/92/1065687392.db2.gz NDFTXFJYOYNMHK-QGZVFWFLSA-N 0 0 456.237 4.975 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N[C@H](Cn1cccn1)c1ccccc1 ZINC001360633451 1065687410 /nfs/dbraw/zinc/68/74/10/1065687410.db2.gz QEEDCEGOUXGANH-JOCHJYFZSA-N 0 0 450.336 4.735 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 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COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CC1=O ZINC001438337316 1065711158 /nfs/dbraw/zinc/71/11/58/1065711158.db2.gz KMKHZIMTLDZEPA-FQRUVTKNSA-N 0 0 452.982 4.787 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCSC2)CC1 ZINC001360640991 1065711403 /nfs/dbraw/zinc/71/14/03/1065711403.db2.gz BJPLUMXXHMLQIR-QKNQBKEWSA-N 0 0 493.718 4.793 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001360640949 1065711535 /nfs/dbraw/zinc/71/15/35/1065711535.db2.gz AZNFTGBBZDMUII-NQIIRXRSSA-N 0 0 498.672 4.906 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(F)c2)CC1 ZINC001360641022 1065712053 /nfs/dbraw/zinc/71/20/53/1065712053.db2.gz BRPDPSRGTVDZKN-PGRDOPGGSA-N 0 0 487.620 4.837 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(F)(F)F)C1 ZINC001360641250 1065713210 /nfs/dbraw/zinc/71/32/10/1065713210.db2.gz FVAWMMNMJFDLOB-ULQDDVLXSA-N 0 0 489.583 4.500 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(F)(F)F)C1 ZINC001360641251 1065713244 /nfs/dbraw/zinc/71/32/44/1065713244.db2.gz FVAWMMNMJFDLOB-YESZJQIVSA-N 0 0 489.583 4.500 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001360641279 1065713256 /nfs/dbraw/zinc/71/32/56/1065713256.db2.gz GAHAHECDEHDTQP-WTYVLRPYSA-N 0 0 499.700 4.904 20 0 JJADRN O=C(Nc1nn(-c2ncccc2Cl)cc1Br)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001438346596 1065713267 /nfs/dbraw/zinc/71/32/67/1065713267.db2.gz WXOSPHRIWKFFPY-GHMZBOCLSA-N 0 0 453.674 4.704 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001438344529 1065713306 /nfs/dbraw/zinc/71/33/06/1065713306.db2.gz LGLPJNSFJYKYGR-QHCPKHFHSA-N 0 0 454.979 4.973 20 0 JJADRN COC(=O)c1cnc(Cl)c(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001438345326 1065713373 /nfs/dbraw/zinc/71/33/73/1065713373.db2.gz ZPLNJZOXUZSSCS-UHFFFAOYSA-N 0 0 451.882 4.840 20 0 JJADRN O=C(Nc1nn(-c2ncccc2Cl)cc1Br)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001438346611 1065713534 /nfs/dbraw/zinc/71/35/34/1065713534.db2.gz WXOSPHRIWKFFPY-WDEREUQCSA-N 0 0 453.674 4.704 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)ccc1Br ZINC001438346978 1065713977 /nfs/dbraw/zinc/71/39/77/1065713977.db2.gz SVSTZTVIAKROPI-QGZVFWFLSA-N 0 0 455.146 4.941 20 0 JJADRN Cc1ccc(N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C2CCOCC2)cc1F ZINC001438347092 1065714190 /nfs/dbraw/zinc/71/41/90/1065714190.db2.gz VRXIDKFMNWUXPG-UHFFFAOYSA-N 0 0 458.331 4.908 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001360641688 1065714348 /nfs/dbraw/zinc/71/43/48/1065714348.db2.gz LQDMMYQZMUAVTG-JQVVWYNYSA-N 0 0 475.678 4.616 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC001438350979 1065714748 /nfs/dbraw/zinc/71/47/48/1065714748.db2.gz GEPDVFZGSNKLOD-FQEVSTJZSA-N 0 0 452.352 4.589 20 0 JJADRN COC(=O)c1cn(CC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)c2ccccc12 ZINC001438353103 1065714862 /nfs/dbraw/zinc/71/48/62/1065714862.db2.gz PTNDNSIFBBQULG-DOTOQJQBSA-N 0 0 455.352 4.595 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)N(c3cccc(F)c3C)[C@H]3CCO[C@H]3C)c(=O)oc2c1 ZINC001438355870 1065715053 /nfs/dbraw/zinc/71/50/53/1065715053.db2.gz FZXSPOBOSYKUGY-SBUREZEXSA-N 0 0 453.510 4.701 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCc2nccs2)C1 ZINC001360642041 1065715328 /nfs/dbraw/zinc/71/53/28/1065715328.db2.gz POOXCTGTTKCWOZ-PKOBYXMFSA-N 0 0 474.675 4.765 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(C)CC2)CC1 ZINC001360642240 1065715866 /nfs/dbraw/zinc/71/58/66/1065715866.db2.gz RRSQWTSOLDCTKI-AZUAARDMSA-N 0 0 461.651 4.840 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001438356464 1065715821 /nfs/dbraw/zinc/71/58/21/1065715821.db2.gz CIMCUKQTOLNRLC-WXSAJPJJSA-N 0 0 451.405 4.799 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001438356462 1065715965 /nfs/dbraw/zinc/71/59/65/1065715965.db2.gz CIMCUKQTOLNRLC-RRIFGTCXSA-N 0 0 451.405 4.799 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCO2)CC1 ZINC001360642274 1065716481 /nfs/dbraw/zinc/71/64/81/1065716481.db2.gz RXJKOVUGUFUATR-GHTZIAJQSA-N 0 0 489.686 4.629 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCSC2)CC1 ZINC001360642657 1065716918 /nfs/dbraw/zinc/71/69/18/1065716918.db2.gz WGOVLQMIUNJGSN-ZWKOTPCHSA-N 0 0 465.708 4.749 20 0 JJADRN O=C(Nc1nc2c(s1)c(Cl)ccc2F)c1occc1CS(=O)(=O)c1ccccc1 ZINC001438366946 1065716972 /nfs/dbraw/zinc/71/69/72/1065716972.db2.gz UXHLHIIVQLMMLA-UHFFFAOYSA-N 0 0 450.900 4.908 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2CCC[C@H]2CCCCO2)CC1 ZINC001360643114 1065717219 /nfs/dbraw/zinc/71/72/19/1065717219.db2.gz YEXQJJMENRFHGC-GHTZIAJQSA-N 0 0 461.651 4.634 20 0 JJADRN COc1cc(NC(=O)c2ccccc2-c2ccccc2C)ccc1S(=O)(=O)N1CCCC1 ZINC001360643018 1065717314 /nfs/dbraw/zinc/71/73/14/1065717314.db2.gz DJRGHUFPUCIEMI-UHFFFAOYSA-N 0 0 450.560 4.707 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)COc1ccc(Br)c(C)c1)C2 ZINC001438368420 1065717501 /nfs/dbraw/zinc/71/75/01/1065717501.db2.gz ZPSYGZABHDGXJR-UHFFFAOYSA-N 0 0 453.174 4.792 20 0 JJADRN COc1cc(Br)cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC001360643740 1065717839 /nfs/dbraw/zinc/71/78/39/1065717839.db2.gz YPNYEOMQJAQMFJ-UHFFFAOYSA-N 0 0 456.258 4.610 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC001438374496 1065718015 /nfs/dbraw/zinc/71/80/15/1065718015.db2.gz QTFDAZWBUIUVGV-UHFFFAOYSA-N 0 0 455.383 4.743 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001438379232 1065718030 /nfs/dbraw/zinc/71/80/30/1065718030.db2.gz ZKSIUWQCFSUFBO-KNXBSLHKSA-N 0 0 458.986 4.942 20 0 JJADRN Cc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)s1 ZINC001438381633 1065718047 /nfs/dbraw/zinc/71/80/47/1065718047.db2.gz GJJLJFRWDVIOCA-FQEVSTJZSA-N 0 0 454.617 4.904 20 0 JJADRN CCOc1cc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)ccc1OCC(=O)OC ZINC001360643959 1065718232 /nfs/dbraw/zinc/71/82/32/1065718232.db2.gz IHABMCBGMZQPKA-UHFFFAOYSA-N 0 0 453.922 4.888 20 0 JJADRN CN1CCN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2Cl)CC1 ZINC001360643850 1065718249 /nfs/dbraw/zinc/71/82/49/1065718249.db2.gz CWQXUKPJMWZRTI-UHFFFAOYSA-N 0 0 451.954 4.902 20 0 JJADRN CC(C)(C)OC(=O)CCCCNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001438386892 1065718548 /nfs/dbraw/zinc/71/85/48/1065718548.db2.gz AGWUCAKNIFZZQE-UHFFFAOYSA-N 0 0 456.370 4.994 20 0 JJADRN O=C(c1sc2cc(Br)ccc2c1Cl)N1CCCC[C@H]1CN1CCCC1=O ZINC001438391057 1065718981 /nfs/dbraw/zinc/71/89/81/1065718981.db2.gz AWHQMVBDPIMYRU-ZDUSSCGKSA-N 0 0 455.805 4.934 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2nc(Br)c3ccccn32)cc1 ZINC001438397294 1065719045 /nfs/dbraw/zinc/71/90/45/1065719045.db2.gz CATZTZCYTGLURN-JKSUJKDBSA-N 0 0 471.355 4.730 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)CC2)C1 ZINC001360645109 1065720113 /nfs/dbraw/zinc/72/01/13/1065720113.db2.gz FMLRBXOUUHETHW-IYWMVGAKSA-N 0 0 475.678 4.736 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC001438402603 1065720060 /nfs/dbraw/zinc/72/00/60/1065720060.db2.gz KXEOKCBDUDJNDY-QXAKKESOSA-N 0 0 473.367 4.944 20 0 JJADRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001438400761 1065720121 /nfs/dbraw/zinc/72/01/21/1065720121.db2.gz IOUIZLDBWGJHQY-NSHGMRRFSA-N 0 0 457.596 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2nc(C(C)(C)c3ccccc3)cs2)C1 ZINC001438400730 1065720211 /nfs/dbraw/zinc/72/02/11/1065720211.db2.gz IFXHWXMYHZVFEZ-AVRWGWEMSA-N 0 0 471.623 4.681 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2CC(F)(F)C2)C1 ZINC001360645543 1065720483 /nfs/dbraw/zinc/72/04/83/1065720483.db2.gz JNROOKZFANBPSE-APWZRJJASA-N 0 0 467.605 4.796 20 0 JJADRN C[C@H]1[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC001438406703 1065720473 /nfs/dbraw/zinc/72/04/73/1065720473.db2.gz SFDOJFWWTXOMOD-MVJPYGJCSA-N 0 0 459.587 4.651 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)c2)cn1 ZINC001438405762 1065720778 /nfs/dbraw/zinc/72/07/78/1065720778.db2.gz PRXUXYRRTIJBRJ-SIKLNZKXSA-N 0 0 450.514 4.859 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC2(C)C)C1 ZINC001360646312 1065721563 /nfs/dbraw/zinc/72/15/63/1065721563.db2.gz OVIXUXJYJBHBOR-GBESFXJTSA-N 0 0 487.620 4.782 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CCOc3ccccc3)n2CCC2CC2)CC1 ZINC001360646741 1065722658 /nfs/dbraw/zinc/72/26/58/1065722658.db2.gz SEBUBDSUIHMPOM-HXUWFJFHSA-N 0 0 483.657 4.829 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CCO1 ZINC001438461668 1065722844 /nfs/dbraw/zinc/72/28/44/1065722844.db2.gz HGKMOEHPVNIFKI-ANZJIFDASA-N 0 0 458.599 4.553 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001438463174 1065723070 /nfs/dbraw/zinc/72/30/70/1065723070.db2.gz DEYYPSGOMXOUAG-YZIHRLCOSA-N 0 0 456.652 4.740 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CCO1 ZINC001438461671 1065723099 /nfs/dbraw/zinc/72/30/99/1065723099.db2.gz HGKMOEHPVNIFKI-SQMWVJLWSA-N 0 0 458.599 4.553 20 0 JJADRN CC(C)[C@](C)(Cc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001438466483 1065723517 /nfs/dbraw/zinc/72/35/17/1065723517.db2.gz XJCBJTGOMQDRSN-SANMLTNESA-N 0 0 456.652 4.567 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cnn(Cc2ccccc2)c1Br ZINC001438469182 1065723565 /nfs/dbraw/zinc/72/35/65/1065723565.db2.gz VPAUGSHYJBCJDF-MOPGFXCFSA-N 0 0 478.749 4.746 20 0 JJADRN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cc(Br)nn1-c1ncccc1Cl ZINC001360648359 1065723759 /nfs/dbraw/zinc/72/37/59/1065723759.db2.gz NZVCGLXEKNFXIZ-DOTOQJQBSA-N 0 0 459.775 4.824 20 0 JJADRN O=C(Nc1nc(C2CCOCC2)ns1)c1csc(-c2cc(Br)cs2)n1 ZINC001438477810 1065724143 /nfs/dbraw/zinc/72/41/43/1065724143.db2.gz ICUOZUZIVBNSHD-UHFFFAOYSA-N 0 0 457.400 4.632 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001438485322 1065724724 /nfs/dbraw/zinc/72/47/24/1065724724.db2.gz MWJJGPJBBAQCKS-BJKOFHAPSA-N 0 0 451.542 4.761 20 0 JJADRN CCn1c(SCC(=O)N2CCOC[C@H]2CC(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001360649483 1065724741 /nfs/dbraw/zinc/72/47/41/1065724741.db2.gz JNGSXASKOLNNBQ-OAHLLOKOSA-N 0 0 457.427 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001360649624 1065724817 /nfs/dbraw/zinc/72/48/17/1065724817.db2.gz KWRTXOYFTOUKCD-JRFVFWCSSA-N 0 0 450.579 4.885 20 0 JJADRN CC[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1cc(C)ccc1C ZINC001438487408 1065725265 /nfs/dbraw/zinc/72/52/65/1065725265.db2.gz WVMPXWPNQMROBU-HXUWFJFHSA-N 0 0 452.414 4.887 20 0 JJADRN CCc1c(C(=O)N2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)cnn1CCC(C)C ZINC001438496468 1065726263 /nfs/dbraw/zinc/72/62/63/1065726263.db2.gz AXKZAYYVLMXODK-UHFFFAOYSA-N 0 0 456.587 4.556 20 0 JJADRN Cn1nc(C(F)(F)F)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c1Cl ZINC001438497431 1065726478 /nfs/dbraw/zinc/72/64/78/1065726478.db2.gz DBPTVIAYWFWXQC-UHFFFAOYSA-N 0 0 451.923 4.979 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CC(c4c(F)cccc4F)=NO3)s2)cc1 ZINC001360654691 1065726355 /nfs/dbraw/zinc/72/63/55/1065726355.db2.gz UPAZDXNLQMIKIQ-BUXKBTBVSA-N 0 0 457.502 4.776 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)s2)cc1 ZINC001360654421 1065726556 /nfs/dbraw/zinc/72/65/56/1065726556.db2.gz MOOHLYHXHILZOM-ZOCIIQOWSA-N 0 0 459.612 4.998 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)s2)cc1 ZINC001360654730 1065726855 /nfs/dbraw/zinc/72/68/55/1065726855.db2.gz VXFCHBBYRYZCHV-KUHUBIRLSA-N 0 0 459.612 4.950 20 0 JJADRN O=C(Nc1[nH]nc2cnc(Br)cc21)c1cc2ccc(Br)cc2s1 ZINC001438511297 1065727392 /nfs/dbraw/zinc/72/73/92/1065727392.db2.gz CKLXQJGDAVFLQY-UHFFFAOYSA-N 0 0 452.131 4.950 20 0 JJADRN O=C(Cn1cc(Br)ccc1=O)Nc1ncc(Cl)cc1-c1ccc(Cl)cc1 ZINC001438505590 1065727496 /nfs/dbraw/zinc/72/74/96/1065727496.db2.gz BRYDRKSQSHJLSF-UHFFFAOYSA-N 0 0 453.123 4.618 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001360658421 1065727382 /nfs/dbraw/zinc/72/73/82/1065727382.db2.gz KLXAOABSLJJHLU-HZPDHXFCSA-N 0 0 453.530 4.823 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001360658420 1065728034 /nfs/dbraw/zinc/72/80/34/1065728034.db2.gz KLXAOABSLJJHLU-HOTGVXAUSA-N 0 0 453.530 4.823 20 0 JJADRN CN(C)c1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc(C(F)(F)F)c1 ZINC001360663593 1065729191 /nfs/dbraw/zinc/72/91/91/1065729191.db2.gz LIZFTSWZAVBMMI-HNNXBMFYSA-N 0 0 456.306 4.543 20 0 JJADRN CCCN(C(=O)c1cc(C2CCOCC2)nn1C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360664535 1065729731 /nfs/dbraw/zinc/72/97/31/1065729731.db2.gz FKCLNDFTQVERHT-DEOSSOPVSA-N 0 0 454.521 4.629 20 0 JJADRN CCCN(C(=O)c1c(C(F)F)nc2cnccn21)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360665093 1065730487 /nfs/dbraw/zinc/73/04/87/1065730487.db2.gz VTPDHOKIRBINCN-HXUWFJFHSA-N 0 0 457.431 4.982 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001438547531 1065730624 /nfs/dbraw/zinc/73/06/24/1065730624.db2.gz ZUTMWTZURIHCPM-JOCHJYFZSA-N 0 0 453.526 4.969 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001360669974 1065730975 /nfs/dbraw/zinc/73/09/75/1065730975.db2.gz XOIXIHIMFITDPE-XMSQKQJNSA-N 0 0 453.421 4.925 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC001360672294 1065731040 /nfs/dbraw/zinc/73/10/40/1065731040.db2.gz OXVRODOMUOQFAS-WDSOQIARSA-N 0 0 480.078 4.533 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC001438554986 1065730998 /nfs/dbraw/zinc/73/09/98/1065730998.db2.gz TXEGQPXMHMBPLX-HXUWFJFHSA-N 0 0 456.564 4.912 20 0 JJADRN O=C(OCCCc1cccc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001360669591 1065731125 /nfs/dbraw/zinc/73/11/25/1065731125.db2.gz QZRVULBQDPQKPF-UHFFFAOYSA-N 0 0 455.551 4.943 20 0 JJADRN Cc1ccc([C@@H](NC(=O)C[C@@]2(C)CC2(Cl)Cl)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360673236 1065731642 /nfs/dbraw/zinc/73/16/42/1065731642.db2.gz GUOYMSHOJRAHNN-SFTDATJTSA-N 0 0 454.419 4.887 20 0 JJADRN C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001438561891 1065731810 /nfs/dbraw/zinc/73/18/10/1065731810.db2.gz CUCSOOCOQNXMEU-GOSISDBHSA-N 0 0 454.615 4.935 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CC2CC(OC(C)(C)C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001360673387 1065731914 /nfs/dbraw/zinc/73/19/14/1065731914.db2.gz JPNJJEGYPXEWRF-AJPKXHFHSA-N 0 0 457.636 4.896 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(Cl)cccc1Br ZINC001360673399 1065731926 /nfs/dbraw/zinc/73/19/26/1065731926.db2.gz JVANJVIWDFMOJV-GUYCJALGSA-N 0 0 459.812 4.845 20 0 JJADRN CC[C@@H](C)n1nc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1C ZINC001360673634 1065732029 /nfs/dbraw/zinc/73/20/29/1065732029.db2.gz OBEMOJVMALPQOF-KOSHJBKYSA-N 0 0 453.608 4.702 20 0 JJADRN CC[C@@H](C)n1nc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1C ZINC001360673633 1065732116 /nfs/dbraw/zinc/73/21/16/1065732116.db2.gz OBEMOJVMALPQOF-HOYKHHGWSA-N 0 0 453.608 4.702 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001360674394 1065732540 /nfs/dbraw/zinc/73/25/40/1065732540.db2.gz WNJXWHDASWDKAG-PBHICJAKSA-N 0 0 459.812 4.845 20 0 JJADRN COCc1ccc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1F ZINC001360674389 1065732568 /nfs/dbraw/zinc/73/25/68/1065732568.db2.gz WGAIYMRUHHTDAC-XMMPIXPASA-N 0 0 455.551 4.512 20 0 JJADRN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001360674399 1065732577 /nfs/dbraw/zinc/73/25/77/1065732577.db2.gz WPGRFLBRYGZNHC-OLLUBJOZSA-N 0 0 457.636 4.898 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)NCc3nc(C(F)(F)F)n4c3CCCC4)cs2)cc1 ZINC001438569395 1065732871 /nfs/dbraw/zinc/73/28/71/1065732871.db2.gz AVOKNEQQJMHGSW-UHFFFAOYSA-N 0 0 450.486 4.690 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC001438572816 1065732970 /nfs/dbraw/zinc/73/29/70/1065732970.db2.gz FQVKMDFAPOJQOL-KRWDZBQOSA-N 0 0 458.578 4.900 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)c2)c(C)c1 ZINC001360674760 1065732885 /nfs/dbraw/zinc/73/28/85/1065732885.db2.gz ZYVWSASFSKHCQS-FDDCHVKYSA-N 0 0 453.583 4.879 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1OCC ZINC001360674707 1065732950 /nfs/dbraw/zinc/73/29/50/1065732950.db2.gz LFZMYIWJZXJXBC-UHFFFAOYSA-N 0 0 459.909 4.772 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2)c(C)c1 ZINC001360674762 1065733018 /nfs/dbraw/zinc/73/30/18/1065733018.db2.gz ZYVWSASFSKHCQS-JPYJTQIMSA-N 0 0 453.583 4.879 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1 ZINC001438578360 1065733380 /nfs/dbraw/zinc/73/33/80/1065733380.db2.gz VVTMHEUMVKFIGT-FQEVSTJZSA-N 0 0 453.526 4.972 20 0 JJADRN CN1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001438576453 1065733402 /nfs/dbraw/zinc/73/34/02/1065733402.db2.gz RJAKILFGZNXDJK-FQEVSTJZSA-N 0 0 454.393 4.912 20 0 JJADRN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001438576491 1065733443 /nfs/dbraw/zinc/73/34/43/1065733443.db2.gz RNTFCCZIUBQUQR-KRWDZBQOSA-N 0 0 459.443 4.799 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N(CC)c3ccccc3)cc2)CC1=O ZINC001360677622 1065733537 /nfs/dbraw/zinc/73/35/37/1065733537.db2.gz HSHVQXKDBMHYAK-QFIPXVFZSA-N 0 0 457.574 4.913 20 0 JJADRN Cc1ccccc1[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)[C@@H](C)CO1 ZINC001360678343 1065734229 /nfs/dbraw/zinc/73/42/29/1065734229.db2.gz PGLSQXLXGYVMKE-LRDDRELGSA-N 0 0 454.162 4.517 20 0 JJADRN Cc1cc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c2cc(Br)ccc2n1 ZINC001360681308 1065734556 /nfs/dbraw/zinc/73/45/56/1065734556.db2.gz BYCNQCWLPDCSJA-UHFFFAOYSA-N 0 0 457.715 4.939 20 0 JJADRN CC[C@](C)(NC(=O)c1cc(I)ccc1Br)C(F)(F)F ZINC001360682845 1065735451 /nfs/dbraw/zinc/73/54/51/1065735451.db2.gz FESNUBZKUJQSTJ-NSHDSACASA-N 0 0 450.036 4.515 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(CCn3cc(Br)cn3)cc1)C2 ZINC001360686572 1065735725 /nfs/dbraw/zinc/73/57/25/1065735725.db2.gz BCIXDBGLRSUTOS-LJQANCHMSA-N 0 0 454.368 4.641 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001360686885 1065736461 /nfs/dbraw/zinc/73/64/61/1065736461.db2.gz MWAAPQIYJBFOOH-UHFFFAOYSA-N 0 0 450.720 4.870 20 0 JJADRN COc1ccc(-n2c3ccccc3nc2NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC001360690901 1065736941 /nfs/dbraw/zinc/73/69/41/1065736941.db2.gz IQHSGSUQYDUZMG-UHFFFAOYSA-N 0 0 457.456 4.591 20 0 JJADRN COc1ccccc1-n1c2ccccc2nc1NC(=O)COc1cccc(Br)c1 ZINC001360691847 1065737016 /nfs/dbraw/zinc/73/70/16/1065737016.db2.gz ZLMRACRSLFGCNR-UHFFFAOYSA-N 0 0 452.308 4.814 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC001360692440 1065737475 /nfs/dbraw/zinc/73/74/75/1065737475.db2.gz PXDGHKKHKMQFPS-IBGZPJMESA-N 0 0 457.368 4.634 20 0 JJADRN COc1ccccc1-n1c2ccccc2nc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C ZINC001360696513 1065737929 /nfs/dbraw/zinc/73/79/29/1065737929.db2.gz BWGYQWVOGUTLKW-UHFFFAOYSA-N 0 0 457.456 4.591 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N(c3ccc(Cl)cc3C)[C@@H]3CCO[C@@H]3C)cc2)no1 ZINC001438632760 1065738563 /nfs/dbraw/zinc/73/85/63/1065738563.db2.gz JTIYMEYJMDKNGF-IIBYNOLFSA-N 0 0 455.942 4.997 20 0 JJADRN O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001360696779 1065738647 /nfs/dbraw/zinc/73/86/47/1065738647.db2.gz NDZHYIZTKZCRSX-LJQANCHMSA-N 0 0 453.445 4.719 20 0 JJADRN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC001360697776 1065739060 /nfs/dbraw/zinc/73/90/60/1065739060.db2.gz PJNMUZFXVBYQSG-UHFFFAOYSA-N 0 0 457.935 4.844 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)c1cc(C)cc(I)c1 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460.594 4.624 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001360741971 1065776589 /nfs/dbraw/zinc/77/65/89/1065776589.db2.gz UFCKWFHNXNJLSE-DYESRHJHSA-N 0 0 469.605 4.655 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC001439003991 1065776864 /nfs/dbraw/zinc/77/68/64/1065776864.db2.gz SZNQGDXTKCYDKK-LBPRGKRZSA-N 0 0 451.557 4.748 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(C(F)(F)F)s2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001439004372 1065776950 /nfs/dbraw/zinc/77/69/50/1065776950.db2.gz VZMUJAHRAGNWPY-UHFFFAOYSA-N 0 0 454.514 4.705 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC1CC1 ZINC001360742152 1065777253 /nfs/dbraw/zinc/77/72/53/1065777253.db2.gz VIPSQWSFSMRRMH-CQSZACIVSA-N 0 0 454.468 4.705 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2scnc2Br)c2ccccc21 ZINC001439011914 1065777554 /nfs/dbraw/zinc/77/75/54/1065777554.db2.gz JIFFHJHDRUDUDV-LBPRGKRZSA-N 0 0 452.374 4.564 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCc4cc(F)ccc4[C@H]3C)cc2)c1 ZINC001439018175 1065777603 /nfs/dbraw/zinc/77/76/03/1065777603.db2.gz PJTBQPRSYIGSRZ-GOSISDBHSA-N 0 0 453.535 4.970 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)OCC(=O)N1CCCc2ccccc21 ZINC001360742779 1065778253 /nfs/dbraw/zinc/77/82/53/1065778253.db2.gz GDTVWZHNDSKTQQ-UHFFFAOYSA-N 0 0 454.320 4.504 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c2ccccc2)cc1 ZINC001360742522 1065778424 /nfs/dbraw/zinc/77/84/24/1065778424.db2.gz YESLTMGLGQTMTK-RLWLMLJZSA-N 0 0 457.574 4.720 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC001360743056 1065778840 /nfs/dbraw/zinc/77/88/40/1065778840.db2.gz NTEVSFBVMSJYKF-UHFFFAOYSA-N 0 0 457.921 4.683 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC001439040447 1065779181 /nfs/dbraw/zinc/77/91/81/1065779181.db2.gz HTUBVTNBLBJWCS-HNNXBMFYSA-N 0 0 454.203 4.545 20 0 JJADRN C[C@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(C(F)(F)F)nc1 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4.741 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Br)cc(I)c2)Cc2ccccc21 ZINC001439059560 1065781622 /nfs/dbraw/zinc/78/16/22/1065781622.db2.gz BXTRYEYTBDPLCH-NSHDSACASA-N 0 0 456.121 4.813 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001360744472 1065782262 /nfs/dbraw/zinc/78/22/62/1065782262.db2.gz VJHXVKVLUFTEAF-ZWKOTPCHSA-N 0 0 480.650 4.643 20 0 JJADRN O=C(Nc1cnc2ccccc2c1Br)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001439072480 1065782576 /nfs/dbraw/zinc/78/25/76/1065782576.db2.gz GUAJABDMHFXVEL-LJQANCHMSA-N 0 0 454.324 4.737 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)c1cccc(OC(F)(F)F)c1 ZINC001439085267 1065783037 /nfs/dbraw/zinc/78/30/37/1065783037.db2.gz XEPBUJULSWLUQV-HIFRSBDPSA-N 0 0 450.486 4.684 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1[C@@H]1C[C@H]1CF ZINC001360744884 1065783397 /nfs/dbraw/zinc/78/33/97/1065783397.db2.gz CMADWECJWUHABN-IDCJVQTKSA-N 0 0 460.447 4.635 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC(C)(C)C2)n1Cc1nccc(C(F)F)n1 ZINC001360744895 1065783426 /nfs/dbraw/zinc/78/34/26/1065783426.db2.gz CQZRQXIRGXJNHZ-HNNXBMFYSA-N 0 0 460.504 4.960 20 0 JJADRN COc1cc(/C=C/C(=O)N2CC[C@H](c3nc(C)cs3)C2)ccc1OCc1c(C)noc1C ZINC001439087345 1065783619 /nfs/dbraw/zinc/78/36/19/1065783619.db2.gz IJVJNILRJXZQRR-FNQPIQQGSA-N 0 0 453.564 4.673 20 0 JJADRN Cc1csc([C@@H]2CCN(C(=O)CCCCc3ccc(I)cc3)C2)n1 ZINC001439089949 1065783640 /nfs/dbraw/zinc/78/36/40/1065783640.db2.gz VVACMYKQYZRXOQ-MRXNPFEDSA-N 0 0 454.377 4.785 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001360744951 1065783718 /nfs/dbraw/zinc/78/37/18/1065783718.db2.gz DNWKXSNCCXTMAI-MOPGFXCFSA-N 0 0 459.610 4.592 20 0 JJADRN COCCOc1cc(C(=O)N2CCCSC[C@H]2c2ccccc2OC)nc2ccccc21 ZINC001439092058 1065784282 /nfs/dbraw/zinc/78/42/82/1065784282.db2.gz CTUOWBUZRQRDRV-QFIPXVFZSA-N 0 0 452.576 4.589 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H]1CCCCO1 ZINC001360745362 1065784284 /nfs/dbraw/zinc/78/42/84/1065784284.db2.gz JJQJLGKNQOJYOO-VDGAXYAQSA-N 0 0 486.510 4.674 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2n1 ZINC001439097760 1065785189 /nfs/dbraw/zinc/78/51/89/1065785189.db2.gz BOMCBOAFWUXBLC-NRFANRHFSA-N 0 0 453.583 4.933 20 0 JJADRN CCc1ccc(Br)c(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)c1 ZINC001439097417 1065785321 /nfs/dbraw/zinc/78/53/21/1065785321.db2.gz IZCRQXYZMSCAGV-UHFFFAOYSA-N 0 0 450.134 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCc1nc(-c2ccncc2)cs1 ZINC001439098371 1065785434 /nfs/dbraw/zinc/78/54/34/1065785434.db2.gz PXKYSSXLVYNITJ-FQEVSTJZSA-N 0 0 450.564 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)COc2cccc3cccnc32)CC1 ZINC001439101238 1065785882 /nfs/dbraw/zinc/78/58/82/1065785882.db2.gz HVURCJDAJJNHLV-OAQYLSRUSA-N 0 0 453.583 4.690 20 0 JJADRN CCc1ccc(Br)c(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)c1 ZINC001439103127 1065786266 /nfs/dbraw/zinc/78/62/66/1065786266.db2.gz UQWDSNDRVZZHJT-QGZVFWFLSA-N 0 0 454.162 4.590 20 0 JJADRN Cc1ccc(NC(=O)CCOc2ccccc2I)cc1N1CCCC1 ZINC001439104553 1065786910 /nfs/dbraw/zinc/78/69/10/1065786910.db2.gz PCLLUPREYGWBSU-UHFFFAOYSA-N 0 0 450.320 4.607 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360745979 1065787005 /nfs/dbraw/zinc/78/70/05/1065787005.db2.gz RGXOPVQEEVIHSZ-BBTUJRGHSA-N 0 0 473.593 4.851 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360745980 1065787128 /nfs/dbraw/zinc/78/71/28/1065787128.db2.gz RGXOPVQEEVIHSZ-UEXGIBASSA-N 0 0 473.593 4.851 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@@H]1C ZINC001360746030 1065787601 /nfs/dbraw/zinc/78/76/01/1065787601.db2.gz RUFKPKDMVXHGRY-UGNRZPKXSA-N 0 0 473.593 4.879 20 0 JJADRN O=C(CSc1ccccc1Br)NCCN(Cc1ccccc1)c1ccccn1 ZINC001439112032 1065788539 /nfs/dbraw/zinc/78/85/39/1065788539.db2.gz UBQDPRVYFCYEHL-UHFFFAOYSA-N 0 0 456.409 4.759 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC=C(Br)C2)n1CCOC(C)(C)C ZINC001360746846 1065789058 /nfs/dbraw/zinc/78/90/58/1065789058.db2.gz ZGKMFYKSPHBUEQ-OAHLLOKOSA-N 0 0 467.383 4.861 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CC1)C1(c2ccc(F)cc2F)CCOCC1 ZINC001439115341 1065789123 /nfs/dbraw/zinc/78/91/23/1065789123.db2.gz ASJNCCDYLYWSLF-UHFFFAOYSA-N 0 0 450.323 4.624 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnccc1C(F)(F)F ZINC001439116897 1065789785 /nfs/dbraw/zinc/78/97/85/1065789785.db2.gz IUQWOAJHULVMMB-KBXCAEBGSA-N 0 0 453.461 4.538 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CCCS1 ZINC001360748678 1065790319 /nfs/dbraw/zinc/79/03/19/1065790319.db2.gz DJKLXDWZJCNSNY-TXPKVOOTSA-N 0 0 487.567 4.526 20 0 JJADRN CC(C)(C)[C@@H]1CCC[C@@](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)(C(F)(F)F)CC1 ZINC001439121934 1065790443 /nfs/dbraw/zinc/79/04/43/1065790443.db2.gz ADHAISPGCNWIII-XXBNENTESA-N 0 0 454.533 4.816 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1[C@@H]1C[C@H]1CF ZINC001360748603 1065790540 /nfs/dbraw/zinc/79/05/40/1065790540.db2.gz CJYYWOOPZIYVMI-NHAYFPRASA-N 0 0 477.556 4.533 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 ZINC001439128304 1065790691 /nfs/dbraw/zinc/79/06/91/1065790691.db2.gz LPZBOKPAYOYHDT-BCHFMIIMSA-N 0 0 454.567 4.582 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1cccs1 ZINC001360748813 1065790945 /nfs/dbraw/zinc/79/09/45/1065790945.db2.gz GWYDTCMIJWWGCQ-HZPDHXFCSA-N 0 0 483.535 4.740 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CCCc1nccs1 ZINC001360749287 1065791575 /nfs/dbraw/zinc/79/15/75/1065791575.db2.gz CHPDPXHLCUXGOV-MRXNPFEDSA-N 0 0 461.632 4.978 20 0 JJADRN Cc1ccc(OCCCC(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c(Cl)c1 ZINC001439134517 1065791502 /nfs/dbraw/zinc/79/15/02/1065791502.db2.gz KJIPEGPQVZVXTN-RKDDFOCISA-N 0 0 451.991 4.593 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001439135340 1065791942 /nfs/dbraw/zinc/79/19/42/1065791942.db2.gz NIAXKULCCIBGKT-WACLOXOVSA-N 0 0 456.410 4.958 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001439135731 1065792128 /nfs/dbraw/zinc/79/21/28/1065792128.db2.gz QVEXDOLJVLUWDD-UGSOOPFHSA-N 0 0 452.502 4.971 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCOC1CCCCCC1 ZINC001360749294 1065792165 /nfs/dbraw/zinc/79/21/65/1065792165.db2.gz CIGXPCJPHJIYKH-HSALFYBXSA-N 0 0 460.594 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001439142452 1065792418 /nfs/dbraw/zinc/79/24/18/1065792418.db2.gz NLJQGYXJIVBQJV-QGZVFWFLSA-N 0 0 456.930 4.525 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2c(F)cc(F)cc2F)cc1 ZINC001439146999 1065792429 /nfs/dbraw/zinc/79/24/29/1065792429.db2.gz BZZNUSCVXANQCF-UHFFFAOYSA-N 0 0 451.448 4.824 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCn1cc(Cl)cn1 ZINC001360749738 1065793204 /nfs/dbraw/zinc/79/32/04/1065793204.db2.gz IBVOYBOLRQVPQG-QWQRMKEZSA-N 0 0 486.901 4.742 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001360749911 1065793530 /nfs/dbraw/zinc/79/35/30/1065793530.db2.gz JEJVZMJANDOGKF-BBRCJUOPSA-N 0 0 460.594 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001360749902 1065793556 /nfs/dbraw/zinc/79/35/56/1065793556.db2.gz IZAWSBYAFLHFOG-ONCXSQPRSA-N 0 0 491.583 4.799 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS1 ZINC001360750171 1065794105 /nfs/dbraw/zinc/79/41/05/1065794105.db2.gz LCQDWWQOEGFIME-QRFRQXIXSA-N 0 0 491.633 4.556 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCSCC(F)(F)F)CCO1 ZINC001360750102 1065794130 /nfs/dbraw/zinc/79/41/30/1065794130.db2.gz UHPMXKZQYWLRJQ-CRAIPNDOSA-N 0 0 476.540 4.714 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCC(C)(F)F ZINC001360750255 1065794294 /nfs/dbraw/zinc/79/42/94/1065794294.db2.gz VEFPGFSJNMRRDS-INIZCTEOSA-N 0 0 493.555 4.626 20 0 JJADRN CCOc1c(Br)cc(C(=O)NCCc2c(OC)ccc3ccccc32)cc1OC ZINC001439172950 1065794415 /nfs/dbraw/zinc/79/44/15/1065794415.db2.gz ASXDQCDKUFZDNP-UHFFFAOYSA-N 0 0 458.352 4.991 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC1(O)CCOCC1 ZINC001360750336 1065794774 /nfs/dbraw/zinc/79/47/74/1065794774.db2.gz LXNMVXXALPBDJL-IRXDYDNUSA-N 0 0 477.030 4.872 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCN1CCCCC1=O ZINC001360750451 1065795248 /nfs/dbraw/zinc/79/52/48/1065795248.db2.gz NEQZZUJDTGBBFU-FUHIMQAGSA-N 0 0 497.537 4.594 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1CCCCC1 ZINC001360750709 1065795780 /nfs/dbraw/zinc/79/57/80/1065795780.db2.gz ZAZXEQASELWFFU-IBGZPJMESA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001439193280 1065796488 /nfs/dbraw/zinc/79/64/88/1065796488.db2.gz BUEDILNHURLFBH-HFZDXXHNSA-N 0 0 450.529 4.817 20 0 JJADRN O=C(NCc1cc(Br)c2ccccc2c1)c1cccn2ncc(Br)c12 ZINC001439192553 1065796542 /nfs/dbraw/zinc/79/65/42/1065796542.db2.gz IPQPBCZXDGOHRI-UHFFFAOYSA-N 0 0 459.141 4.943 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1CCOCC1 ZINC001360751093 1065796699 /nfs/dbraw/zinc/79/66/99/1065796699.db2.gz UWGVPMLMXPWIIB-SPYBWZPUSA-N 0 0 456.484 4.618 20 0 JJADRN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 ZINC001439193945 1065797020 /nfs/dbraw/zinc/79/70/20/1065797020.db2.gz KRSZGPDKTLYRQY-HSZRJFAPSA-N 0 0 450.583 4.584 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CC[S@](=O)C(C)(C)C ZINC001360751125 1065797248 /nfs/dbraw/zinc/79/72/48/1065797248.db2.gz VHCHVCVVQFTWSK-OFVRVPRFSA-N 0 0 462.635 4.873 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[C@H]1CCCCO1 ZINC001360751323 1065797262 /nfs/dbraw/zinc/79/72/62/1065797262.db2.gz YXBLYWSSQXUPME-IRFCIJBXSA-N 0 0 460.594 4.910 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCn1cncn1 ZINC001360751163 1065797354 /nfs/dbraw/zinc/79/73/54/1065797354.db2.gz VXJSVXCFHXSOTE-CVEARBPZSA-N 0 0 457.991 4.622 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001439200304 1065797459 /nfs/dbraw/zinc/79/74/59/1065797459.db2.gz LDHUFZLLVASAJW-LJQANCHMSA-N 0 0 454.935 4.653 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1C ZINC001360751675 1065797850 /nfs/dbraw/zinc/79/78/50/1065797850.db2.gz GLOIFPMZUJWLAW-UHFFFAOYSA-N 0 0 450.340 4.749 20 0 JJADRN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC001360751702 1065797954 /nfs/dbraw/zinc/79/79/54/1065797954.db2.gz HBTCNUZSZUYJJJ-OAHLLOKOSA-N 0 0 456.340 4.765 20 0 JJADRN CCc1nc(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)nn1-c1ccccc1F 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VPBIQYPCSPNOTI-UHFFFAOYSA-N 0 0 453.720 4.717 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccc(Cl)s2)n1CC1(O)CCOCC1 ZINC001360753458 1065799251 /nfs/dbraw/zinc/79/92/51/1065799251.db2.gz CWDAUFCSVMSRIO-OAHLLOKOSA-N 0 0 497.448 4.964 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC001439213835 1065799327 /nfs/dbraw/zinc/79/93/27/1065799327.db2.gz CJWXRFFXZJIKAF-BFUOFWGJSA-N 0 0 451.304 4.532 20 0 JJADRN Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1 ZINC001439215051 1065799388 /nfs/dbraw/zinc/79/93/88/1065799388.db2.gz GIEGCSQITXNQHG-UHFFFAOYSA-N 0 0 453.468 4.839 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCn1cc(Cl)cn1 ZINC001360753592 1065799787 /nfs/dbraw/zinc/79/97/87/1065799787.db2.gz FURFOGVMAVTAAV-UZLBHIALSA-N 0 0 479.412 4.627 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CC=CCO1 ZINC001360753571 1065799803 /nfs/dbraw/zinc/79/98/03/1065799803.db2.gz FOOLFNWRYMXCLH-BEFAXECRSA-N 0 0 452.933 4.898 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CC=CCO1 ZINC001360753574 1065799830 /nfs/dbraw/zinc/79/98/30/1065799830.db2.gz FOOLFNWRYMXCLH-KXBFYZLASA-N 0 0 452.933 4.898 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@H]1CCOC1 ZINC001360753636 1065800040 /nfs/dbraw/zinc/80/00/40/1065800040.db2.gz GIZKCQHVOYRGGU-HOTGVXAUSA-N 0 0 479.412 4.521 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC001439220730 1065800730 /nfs/dbraw/zinc/80/07/30/1065800730.db2.gz UBUCACUOHFBMTK-HOYKHHGWSA-N 0 0 454.592 4.535 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC001439220731 1065800876 /nfs/dbraw/zinc/80/08/76/1065800876.db2.gz UBUCACUOHFBMTK-KOSHJBKYSA-N 0 0 454.592 4.535 20 0 JJADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCC1(C)C ZINC001360753830 1065801611 /nfs/dbraw/zinc/80/16/11/1065801611.db2.gz JPQYAVHGXZEZQN-SQNIBIBYSA-N 0 0 483.078 4.767 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@@H]1CCn2ccnc2C1 ZINC001360754063 1065802127 /nfs/dbraw/zinc/80/21/27/1065802127.db2.gz NSFORNIGYIKSSZ-HZPDHXFCSA-N 0 0 464.948 4.622 20 0 JJADRN CN(C(=O)c1ccc(Oc2ccccc2F)nc1)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001439229773 1065802297 /nfs/dbraw/zinc/80/22/97/1065802297.db2.gz VBRRZAZZFVFRGG-UHFFFAOYSA-N 0 0 452.486 4.709 20 0 JJADRN O=C(OCc1cc(Br)ccc1Cl)[C@H]1CCCN1c1ncnc2sccc21 ZINC001439228890 1065802389 /nfs/dbraw/zinc/80/23/89/1065802389.db2.gz ZSPLFEAOEHWSPI-OAHLLOKOSA-N 0 0 452.761 4.819 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1C[C@H]1CCc2nccn2C1 ZINC001360754151 1065803044 /nfs/dbraw/zinc/80/30/44/1065803044.db2.gz OXWJCXOAPHAEPY-CVEARBPZSA-N 0 0 464.948 4.622 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N[C@H]1c2ccccc2OC[C@H]1F ZINC001439234541 1065802995 /nfs/dbraw/zinc/80/29/95/1065802995.db2.gz CKNIAXXLFXFJME-QPPBQGQZSA-N 0 0 454.542 4.841 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1CC(C)(C)c1ccccn1 ZINC001360754217 1065803671 /nfs/dbraw/zinc/80/36/71/1065803671.db2.gz PVSISDGQZWOJAE-GOSISDBHSA-N 0 0 478.000 4.871 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCC1CCOCC1 ZINC001360754349 1065804333 /nfs/dbraw/zinc/80/43/33/1065804333.db2.gz SILWXSBYALPQSU-QUCCMNQESA-N 0 0 463.022 4.751 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccccn2)n1CCN(C)CC(F)(F)F ZINC001360754361 1065804445 /nfs/dbraw/zinc/80/44/45/1065804445.db2.gz SLRZCTCLLMCGAH-INIZCTEOSA-N 0 0 482.938 4.597 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)s1 ZINC001439259033 1065805307 /nfs/dbraw/zinc/80/53/07/1065805307.db2.gz VSLMTLWQFXQABZ-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(F)cn1 ZINC001360754524 1065805751 /nfs/dbraw/zinc/80/57/51/1065805751.db2.gz WFOROZBLMKGSCV-KKSFZXQISA-N 0 0 459.953 4.659 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360754575 1065806501 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490.048 4.524 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001360755774 1065810185 /nfs/dbraw/zinc/81/01/85/1065810185.db2.gz JDHVKVYJVZFYCU-NIRMNWTQSA-N 0 0 492.039 4.979 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CC1 ZINC001360755771 1065810447 /nfs/dbraw/zinc/81/04/47/1065810447.db2.gz JCAYCLTYNOLQED-GOSISDBHSA-N 0 0 486.016 4.853 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1cncc(Cl)c1 ZINC001439278237 1065810302 /nfs/dbraw/zinc/81/03/02/1065810302.db2.gz AJYBKMBGHKUBLM-UHFFFAOYSA-N 0 0 457.893 4.992 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCCn3nc(C(F)(F)F)cc3C)c3ccccc3n2)cc1 ZINC001439278660 1065810413 /nfs/dbraw/zinc/81/04/13/1065810413.db2.gz OVNYVUZUGHAXKX-UHFFFAOYSA-N 0 0 454.452 4.864 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]23C[C@@H]2CCCC3)c1 ZINC001439281529 1065810856 /nfs/dbraw/zinc/81/08/56/1065810856.db2.gz WFJXTORUNXBOQN-OYHNWAKOSA-N 0 0 450.963 4.614 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)OC)c3cccc4ccccc43)CC2=O)cc1 ZINC001439285171 1065811022 /nfs/dbraw/zinc/81/10/22/1065811022.db2.gz FDYXNPVQTWYTJH-LVXARBLLSA-N 0 0 458.558 4.566 20 0 JJADRN C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001360755913 1065811676 /nfs/dbraw/zinc/81/16/76/1065811676.db2.gz LIUMGRISVHEPTO-IAGOWNOFSA-N 0 0 461.994 4.751 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)OC)c3cccc4ccccc43)CC2=O)cc1 ZINC001439285173 1065811610 /nfs/dbraw/zinc/81/16/10/1065811610.db2.gz FDYXNPVQTWYTJH-RLWLMLJZSA-N 0 0 458.558 4.566 20 0 JJADRN O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc(Oc2ccccc2F)cc1 ZINC001439294878 1065812447 /nfs/dbraw/zinc/81/24/47/1065812447.db2.gz YFGYRLCIIFKZFR-UHFFFAOYSA-N 0 0 454.523 4.729 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CC[C@@H](F)C1 ZINC001360756157 1065812850 /nfs/dbraw/zinc/81/28/50/1065812850.db2.gz PLFFILKWWTWQFT-JENIJYKNSA-N 0 0 458.969 4.679 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CCCSC1 ZINC001360756084 1065813068 /nfs/dbraw/zinc/81/30/68/1065813068.db2.gz OEPWQBLWUPMGFU-ZWKOTPCHSA-N 0 0 473.046 4.684 20 0 JJADRN COc1cc2c(cc1OC)C1(CCC1)N(C(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001439308123 1065813072 /nfs/dbraw/zinc/81/30/72/1065813072.db2.gz VCVDCVANIBNHAQ-CSKARUKUSA-N 0 0 453.535 4.729 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H]1CCCC1(C)C ZINC001360756166 1065813774 /nfs/dbraw/zinc/81/37/74/1065813774.db2.gz PNAXVWCLVFKUQA-FGTMMUONSA-N 0 0 460.022 4.565 20 0 JJADRN CC(=O)NC(C)(C)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC001439309176 1065813917 /nfs/dbraw/zinc/81/39/17/1065813917.db2.gz XYSOHNCBUYPAOS-UHFFFAOYSA-N 0 0 453.764 4.768 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360756508 1065815763 /nfs/dbraw/zinc/81/57/63/1065815763.db2.gz VQELFVSFHGLGLB-RCJHGTSTSA-N 0 0 454.949 4.978 20 0 JJADRN CC[C@@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)c1cccc2ccccc21 ZINC001439330385 1065815997 /nfs/dbraw/zinc/81/59/97/1065815997.db2.gz PLYYLSUWVSLLAM-JOCHJYFZSA-N 0 0 459.546 4.615 20 0 JJADRN CSc1cc(Br)ccc1C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC001439339260 1065816598 /nfs/dbraw/zinc/81/65/98/1065816598.db2.gz KEXOJAJOBOPMCV-UHFFFAOYSA-N 0 0 452.374 4.843 20 0 JJADRN Cn1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1-c1ccccc1 ZINC001439339534 1065816728 /nfs/dbraw/zinc/81/67/28/1065816728.db2.gz JFQKBTJEAXENPT-ZWKOTPCHSA-N 0 0 451.489 4.610 20 0 JJADRN C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1F ZINC001439339937 1065816753 /nfs/dbraw/zinc/81/67/53/1065816753.db2.gz KVXUPXLLOQKDMU-PVUWLOKVSA-N 0 0 450.448 4.763 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1CCCCC1(F)F ZINC001360756662 1065816774 /nfs/dbraw/zinc/81/67/74/1065816774.db2.gz XNWFAGWNTWJBTA-NVXWUHKLSA-N 0 0 481.975 4.599 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@]1(C)CN(C)C1=O ZINC001360756611 1065816808 /nfs/dbraw/zinc/81/68/08/1065816808.db2.gz WZYVCNQMKOSRIK-RPPIVITFSA-N 0 0 474.049 4.955 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCc3ccc(Br)c(F)c3C2)c1Br ZINC001439345729 1065817071 /nfs/dbraw/zinc/81/70/71/1065817071.db2.gz HEFLVJOPMIJOJH-UHFFFAOYSA-N 0 0 459.157 4.501 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCCOC1CCOCC1 ZINC001360756710 1065817224 /nfs/dbraw/zinc/81/72/24/1065817224.db2.gz YIVFNOITCYZXMD-OTWHNJEPSA-N 0 0 463.022 4.892 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1cc2ccccc2cc1F ZINC001439345192 1065817306 /nfs/dbraw/zinc/81/73/06/1065817306.db2.gz LDENBAULPICTFI-UHFFFAOYSA-N 0 0 456.271 4.818 20 0 JJADRN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COCc1nc2ccccc2s1 ZINC001439347819 1065817857 /nfs/dbraw/zinc/81/78/57/1065817857.db2.gz MTLOUAWATBIYQM-UHFFFAOYSA-N 0 0 457.964 4.932 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001439346513 1065817946 /nfs/dbraw/zinc/81/79/46/1065817946.db2.gz XNHOGBCLDNXXFC-HUUCEWRRSA-N 0 0 454.411 4.552 20 0 JJADRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)[C@@H](Oc3cc(Cl)ccc3Cl)c3ccccc3)O2)CO1 ZINC001439347316 1065818190 /nfs/dbraw/zinc/81/81/90/1065818190.db2.gz KFQOKPANIUKEMG-POMJBAHNSA-N 0 0 450.362 4.956 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001439354313 1065818764 /nfs/dbraw/zinc/81/87/64/1065818764.db2.gz KWKANFHWTGOQQL-IPHXSNPTSA-N 0 0 462.949 4.971 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC001439348937 1065818807 /nfs/dbraw/zinc/81/88/07/1065818807.db2.gz FYQXLBYYORUFHV-NRFANRHFSA-N 0 0 458.986 4.977 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C ZINC001439356350 1065819329 /nfs/dbraw/zinc/81/93/29/1065819329.db2.gz LNXJWPFSNRBIOW-UHFFFAOYSA-N 0 0 456.498 4.847 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2Oc2ccc(C)cc2OC)c1 ZINC001439357314 1065819373 /nfs/dbraw/zinc/81/93/73/1065819373.db2.gz JAJYOCZHLNIRQU-UHFFFAOYSA-N 0 0 453.560 4.862 20 0 JJADRN CCOC(=O)[C@@](C)(NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1ccccc1 ZINC001439353984 1065819404 /nfs/dbraw/zinc/81/94/04/1065819404.db2.gz BISMJJHPCXKLLU-DEOSSOPVSA-N 0 0 454.523 4.656 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC3(C2)CCOCC3)n1CCCOCC(F)F ZINC001360757567 1065819471 /nfs/dbraw/zinc/81/94/71/1065819471.db2.gz DPPJVPACEBNBMP-KRWDZBQOSA-N 0 0 484.975 4.750 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1cn[nH]c1 ZINC001360757484 1065819514 /nfs/dbraw/zinc/81/95/14/1065819514.db2.gz BZLQHXYEOVTGOX-UWJYYQICSA-N 0 0 473.021 4.821 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3cc(Br)c4ccccc4c3)CC2=O)cc1 ZINC001439357817 1065819824 /nfs/dbraw/zinc/81/98/24/1065819824.db2.gz KWGAOPWBTRMJLG-MRXNPFEDSA-N 0 0 453.336 4.993 20 0 JJADRN O=C(NCCc1ccnn1-c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001439359350 1065820185 /nfs/dbraw/zinc/82/01/85/1065820185.db2.gz LKSSHYXOQPYVMI-UHFFFAOYSA-N 0 0 457.317 4.719 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360757696 1065820307 /nfs/dbraw/zinc/82/03/07/1065820307.db2.gz GNJOACSOEGOMRN-ZWOKBUDYSA-N 0 0 476.021 4.975 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)C2)n1CCCOCC(F)F ZINC001360757840 1065820881 /nfs/dbraw/zinc/82/08/81/1065820881.db2.gz IVVHXQJVXAAJIC-ZDUSSCGKSA-N 0 0 450.864 4.589 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1ccco1 ZINC001360757812 1065820933 /nfs/dbraw/zinc/82/09/33/1065820933.db2.gz IPUYZRMHIIYQRA-YLJYHZDGSA-N 0 0 471.989 4.719 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)C2)n1CCCOCC(F)F ZINC001360757839 1065820940 /nfs/dbraw/zinc/82/09/40/1065820940.db2.gz IVVHXQJVXAAJIC-CYBMUJFWSA-N 0 0 450.864 4.589 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1CCc1nccs1 ZINC001360758006 1065821318 /nfs/dbraw/zinc/82/13/18/1065821318.db2.gz LDDXHWJAJQIWRT-QGZVFWFLSA-N 0 0 476.046 4.760 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001439387606 1065822310 /nfs/dbraw/zinc/82/23/10/1065822310.db2.gz DHBLVMRZELQZOV-QGZVFWFLSA-N 0 0 458.333 4.906 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@H]1CCCSC1 ZINC001360758035 1065822192 /nfs/dbraw/zinc/82/21/92/1065822192.db2.gz LRHCJQFSYUWVSV-MJGOQNOKSA-N 0 0 492.089 4.697 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360758081 1065822251 /nfs/dbraw/zinc/82/22/51/1065822251.db2.gz MLIHMNUHKJMCGM-FXAWDEMLSA-N 0 0 489.064 4.938 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)n2)C1 ZINC001360758108 1065822708 /nfs/dbraw/zinc/82/27/08/1065822708.db2.gz MQIBULJYHSQHTR-RTBURBONSA-N 0 0 472.037 4.705 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC(=O)NCC(F)F ZINC001360758153 1065822774 /nfs/dbraw/zinc/82/27/74/1065822774.db2.gz NRMNQPTUWVANTA-KSSFIOAISA-N 0 0 495.983 4.856 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCCOC(F)F ZINC001360758122 1065822988 /nfs/dbraw/zinc/82/29/88/1065822988.db2.gz NALWZURVVKICIX-SJORKVTESA-N 0 0 494.974 4.818 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)n2)C1 ZINC001360758105 1065823036 /nfs/dbraw/zinc/82/30/36/1065823036.db2.gz MQIBULJYHSQHTR-MOPGFXCFSA-N 0 0 472.037 4.705 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001360758252 1065823372 /nfs/dbraw/zinc/82/33/72/1065823372.db2.gz PLKWDAKBFUAZDD-ZHDUIGQVSA-N 0 0 497.130 4.952 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001360758250 1065823589 /nfs/dbraw/zinc/82/35/89/1065823589.db2.gz PLKWDAKBFUAZDD-HSTQODLTSA-N 0 0 497.130 4.952 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CSCCS1 ZINC001360758238 1065823679 /nfs/dbraw/zinc/82/36/79/1065823679.db2.gz PFRKPKBCWKUUHL-UWJYYQICSA-N 0 0 497.130 4.909 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCCCCC2)n1CCCc1cnn(C)n1 ZINC001360758336 1065824379 /nfs/dbraw/zinc/82/43/79/1065824379.db2.gz QTCDYPFYWWLBIA-SFHVURJKSA-N 0 0 458.010 4.603 20 0 JJADRN CC[C@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)c1cc(F)ccc1OC ZINC001439410452 1065824766 /nfs/dbraw/zinc/82/47/66/1065824766.db2.gz UJUSQOGMXNDBHP-QFIPXVFZSA-N 0 0 456.558 4.724 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC001439423474 1065825788 /nfs/dbraw/zinc/82/57/88/1065825788.db2.gz STNUSWMJQUUJMG-HKBQPEDESA-N 0 0 457.552 4.899 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC2(C)C)n1CCCNC(=O)C1CCC1 ZINC001360758663 1065825847 /nfs/dbraw/zinc/82/58/47/1065825847.db2.gz UOBXGWJIUFUAFP-KRWDZBQOSA-N 0 0 460.022 4.757 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360758775 1065826279 /nfs/dbraw/zinc/82/62/79/1065826279.db2.gz HDKSNUYOQGMPNP-LBPRGKRZSA-N 0 0 459.237 4.537 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@H]1CCOC1 ZINC001360758812 1065826337 /nfs/dbraw/zinc/82/63/37/1065826337.db2.gz VGUHEPHBQMBSOM-LSDHHAIUSA-N 0 0 467.795 4.597 20 0 JJADRN O=C(N=S(=O)(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001439427116 1065826493 /nfs/dbraw/zinc/82/64/93/1065826493.db2.gz CTFKEOGIBOXFGC-MRXNPFEDSA-N 0 0 456.926 4.945 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC=C(Br)C2)n1C[C@@H]1CCOC1 ZINC001360758809 1065826502 /nfs/dbraw/zinc/82/65/02/1065826502.db2.gz VGUHEPHBQMBSOM-CABCVRRESA-N 0 0 467.795 4.597 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001439432632 1065826896 /nfs/dbraw/zinc/82/68/96/1065826896.db2.gz WBCNDSXUPDSOGO-CYBMUJFWSA-N 0 0 459.369 4.512 20 0 JJADRN CSc1ccc(N2C[C@@H](C(=O)N=S(=O)(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC001439432897 1065827084 /nfs/dbraw/zinc/82/70/84/1065827084.db2.gz BSXQTHCIQBPDKP-SFHVURJKSA-N 0 0 450.585 4.874 20 0 JJADRN C[S@](=O)(=NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccccc1Br ZINC001439434412 1065827543 /nfs/dbraw/zinc/82/75/43/1065827543.db2.gz ILBPNGMEPIHLTN-QKFKETGDSA-N 0 0 457.187 4.925 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N=[S@@](C)(=O)c3ccccc3Br)s2)cc1 ZINC001439434691 1065827742 /nfs/dbraw/zinc/82/77/42/1065827742.db2.gz JNAGDOKXYBOVNN-SANMLTNESA-N 0 0 451.367 4.878 20 0 JJADRN Cc1cc(C(=O)N=[S@](C)(=O)c2cccc(F)c2)c(I)cc1Cl ZINC001439433264 1065827883 /nfs/dbraw/zinc/82/78/83/1065827883.db2.gz DHBHHLGFQMEGNY-JOCHJYFZSA-N 0 0 451.688 4.689 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(F)(F)CC2)n1CCN(C)CC(F)(F)F ZINC001360759151 1065827792 /nfs/dbraw/zinc/82/77/92/1065827792.db2.gz YNHDOZPPUZIQFJ-AWEZNQCLSA-N 0 0 481.897 4.801 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC1(C)CCC1 ZINC001360759240 1065828328 /nfs/dbraw/zinc/82/83/28/1065828328.db2.gz ZDJAPJDJBKKIEK-SFHVURJKSA-N 0 0 474.049 4.956 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC(C)(C)c1ccccn1 ZINC001360759190 1065828442 /nfs/dbraw/zinc/82/84/42/1065828442.db2.gz YVPLGVKJIXTBEQ-OALUTQOASA-N 0 0 497.043 4.536 20 0 JJADRN CN(C(=O)C1CC1)c1ccc(NC(=O)c2ccc(I)cc2Cl)cc1 ZINC001439436754 1065828589 /nfs/dbraw/zinc/82/85/89/1065828589.db2.gz QZGBQYXZQDXMMV-UHFFFAOYSA-N 0 0 454.695 4.570 20 0 JJADRN O=C(Nc1cccc2c1CCN2C(=O)C(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001439438261 1065828948 /nfs/dbraw/zinc/82/89/48/1065828948.db2.gz CVWIJYKABYGKBR-UHFFFAOYSA-N 0 0 452.738 4.942 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360759476 1065829234 /nfs/dbraw/zinc/82/92/34/1065829234.db2.gz RZDWPCUTEYYOJQ-GFCCVEGCSA-N 0 0 453.299 4.847 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)c1 ZINC001439440958 1065829717 /nfs/dbraw/zinc/82/97/17/1065829717.db2.gz ULYJRFZIMHMPRO-SANMLTNESA-N 0 0 452.248 4.653 20 0 JJADRN COc1ccc(CCCCC(=O)N=[S@](C)(=O)c2cccc(Br)c2)cc1OC ZINC001439439494 1065829870 /nfs/dbraw/zinc/82/98/70/1065829870.db2.gz RGHFMDKHHPLDCN-HHHXNRCGSA-N 0 0 454.386 4.863 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCNC(=O)OC(C)(C)C ZINC001360759757 1065829740 /nfs/dbraw/zinc/82/97/40/1065829740.db2.gz AZKHDCNRVWNZKN-SJORKVTESA-N 0 0 494.036 4.600 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC001439453040 1065830650 /nfs/dbraw/zinc/83/06/50/1065830650.db2.gz GGLACDVMSMQSKQ-IAGOWNOFSA-N 0 0 453.564 4.569 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)n1 ZINC001439459076 1065831076 /nfs/dbraw/zinc/83/10/76/1065831076.db2.gz LXAXQNRGCXRJQF-UHFFFAOYSA-N 0 0 450.339 4.820 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)cc1 ZINC001439459057 1065831130 /nfs/dbraw/zinc/83/11/30/1065831130.db2.gz LVILITXIOZOHKO-UHFFFAOYSA-N 0 0 451.445 4.841 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc2cc(Br)cnc2n1 ZINC001439459618 1065831166 /nfs/dbraw/zinc/83/11/66/1065831166.db2.gz UQCWELHYSQRSCH-VIFPVBQESA-N 0 0 456.266 4.510 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360760122 1065831123 /nfs/dbraw/zinc/83/11/23/1065831123.db2.gz HTZWOKYJOXAGFJ-ZMSDIMECSA-N 0 0 485.938 4.644 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001360760166 1065831214 /nfs/dbraw/zinc/83/12/14/1065831214.db2.gz IJPGABRQWXCWIH-IBGZPJMESA-N 0 0 484.048 4.870 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001360760167 1065831331 /nfs/dbraw/zinc/83/13/31/1065831331.db2.gz IJPGABRQWXCWIH-LJQANCHMSA-N 0 0 484.048 4.870 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc2cc(Br)cnc2n1 ZINC001439462732 1065831736 /nfs/dbraw/zinc/83/17/36/1065831736.db2.gz WCIPEYDHIUULLY-SNVBAGLBSA-N 0 0 451.118 4.561 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCc1ccc(Cl)s1 ZINC001360760293 1065831811 /nfs/dbraw/zinc/83/18/11/1065831811.db2.gz JSMQKVUHWRQWIZ-LSDHHAIUSA-N 0 0 494.448 4.696 20 0 JJADRN Cc1cnc(Br)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 ZINC001439471081 1065832418 /nfs/dbraw/zinc/83/24/18/1065832418.db2.gz LYPMBTQXADIFIA-UHFFFAOYSA-N 0 0 452.287 4.792 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc(C)cnc2Br)cc1 ZINC001439472875 1065832433 /nfs/dbraw/zinc/83/24/33/1065832433.db2.gz PVWWXZWYGWRMRK-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCOCC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360760530 1065832604 /nfs/dbraw/zinc/83/26/04/1065832604.db2.gz ODNPXOIOCRYERT-HNNXBMFYSA-N 0 0 481.906 4.760 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCSC(F)(F)F ZINC001360760772 1065834032 /nfs/dbraw/zinc/83/40/32/1065834032.db2.gz SKYKPTHMLPXEDA-CYBMUJFWSA-N 0 0 499.937 4.712 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001439495350 1065834563 /nfs/dbraw/zinc/83/45/63/1065834563.db2.gz BXVNVUANBOAYET-QYBDOPJKSA-N 0 0 454.542 4.562 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(NC(=O)C4CC4)c3)n2)cc1 ZINC001439501751 1065835342 /nfs/dbraw/zinc/83/53/42/1065835342.db2.gz LHDDQLROVQACBA-UHFFFAOYSA-N 0 0 454.914 4.709 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc31)CO2 ZINC001439505796 1065836111 /nfs/dbraw/zinc/83/61/11/1065836111.db2.gz VFOSMVKQVQYABS-UTKZUKDTSA-N 0 0 454.542 4.649 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cccc4cccc2c43)ccc1Cl ZINC001439504754 1065836123 /nfs/dbraw/zinc/83/61/23/1065836123.db2.gz XTIUGYOMBQSGIO-OAQYLSRUSA-N 0 0 456.995 4.941 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCCOCC1CC1 ZINC001360761069 1065836171 /nfs/dbraw/zinc/83/61/71/1065836171.db2.gz YKIMGEYKDTZSRF-QZTJIDSGSA-N 0 0 463.022 4.892 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001439503609 1065836172 /nfs/dbraw/zinc/83/61/72/1065836172.db2.gz BGDKZGXNDFWOEL-WDEREUQCSA-N 0 0 469.241 4.616 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCCC1CCOCC1 ZINC001360761094 1065836335 /nfs/dbraw/zinc/83/63/35/1065836335.db2.gz YVJISIYZAKDCDM-GOSISDBHSA-N 0 0 498.018 4.665 20 0 JJADRN Cc1c(I)ccc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c1C ZINC001439509946 1065836875 /nfs/dbraw/zinc/83/68/75/1065836875.db2.gz WJZBSKMGTXBXMS-VLIAUNLRSA-N 0 0 470.351 4.636 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001360761300 1065837050 /nfs/dbraw/zinc/83/70/50/1065837050.db2.gz DDXMCZOPOJMCEL-YADHBBJMSA-N 0 0 457.412 4.858 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCSC(F)(F)F ZINC001360762194 1065838148 /nfs/dbraw/zinc/83/81/48/1065838148.db2.gz BNYORPHIXWYNQX-IOASZLSFSA-N 0 0 464.941 4.532 20 0 JJADRN CC(=O)c1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1Cl ZINC001439531691 1065838215 /nfs/dbraw/zinc/83/82/15/1065838215.db2.gz FLLJIRXRIZWUBR-UHFFFAOYSA-N 0 0 455.919 4.513 20 0 JJADRN COCc1ccc([C@H]2COCCN2C(=O)Cc2csc3ccc(Br)cc23)o1 ZINC001439517773 1065838471 /nfs/dbraw/zinc/83/84/71/1065838471.db2.gz UQORTCWKEKKXKV-QGZVFWFLSA-N 0 0 450.354 4.546 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360762462 1065839212 /nfs/dbraw/zinc/83/92/12/1065839212.db2.gz GBXGXBUZWVVKDS-HZPDHXFCSA-N 0 0 459.591 4.585 20 0 JJADRN COC(=O)[C@H](CCC(=O)Nc1cccc2c1[C@H](C)CC2(C)C)NC(=O)OCc1ccccc1 ZINC001439534234 1065839231 /nfs/dbraw/zinc/83/92/31/1065839231.db2.gz ZASBKVDVLYYECU-UTKZUKDTSA-N 0 0 452.551 4.658 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360762519 1065839230 /nfs/dbraw/zinc/83/92/30/1065839230.db2.gz GULYQPDFPLPETQ-FUHWJXTLSA-N 0 0 489.617 4.850 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)cs1 ZINC001439545595 1065839726 /nfs/dbraw/zinc/83/97/26/1065839726.db2.gz ICKMBWRPEQDSIY-AWEZNQCLSA-N 0 0 453.530 4.882 20 0 JJADRN CCCCN(Cc1c(C)oc(C)c1C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001439547570 1065839800 /nfs/dbraw/zinc/83/98/00/1065839800.db2.gz TZFOVMRWKJWJJK-QHCPKHFHSA-N 0 0 456.583 4.656 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1CCN(C)CC(F)(F)F ZINC001360762579 1065840233 /nfs/dbraw/zinc/84/02/33/1065840233.db2.gz HVDBPFRICNCIHU-MRXNPFEDSA-N 0 0 457.516 4.820 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001439549356 1065840498 /nfs/dbraw/zinc/84/04/98/1065840498.db2.gz QIBFMZLCWKLBCO-FCHUYYIVSA-N 0 0 458.986 4.766 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1Cc1nnc(C(C)(C)C)s1 ZINC001360762722 1065840855 /nfs/dbraw/zinc/84/08/55/1065840855.db2.gz KMVXJUTZFHOYMA-CYBMUJFWSA-N 0 0 473.006 4.746 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1 ZINC001439551838 1065841180 /nfs/dbraw/zinc/84/11/80/1065841180.db2.gz XNZRNFRZHIURJW-SFHVURJKSA-N 0 0 453.526 4.623 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC001439553370 1065841191 /nfs/dbraw/zinc/84/11/91/1065841191.db2.gz LHVGDKPYHXEDPD-SFHVURJKSA-N 0 0 456.739 4.983 20 0 JJADRN CCN(C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(C)(C)C(=O)OC ZINC001439555143 1065841204 /nfs/dbraw/zinc/84/12/04/1065841204.db2.gz ILICPKZCDFWNCD-UHFFFAOYSA-N 0 0 459.999 4.630 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C)c1cccnc1 ZINC001360762790 1065841467 /nfs/dbraw/zinc/84/14/67/1065841467.db2.gz LGLBOCMMDJLMGU-PZJWPPBQSA-N 0 0 496.631 4.743 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1ccc(CCC(F)(F)F)cc1)c1cccc(Br)c1 ZINC001439571404 1065841691 /nfs/dbraw/zinc/84/16/91/1065841691.db2.gz HUHOENZOYCUMJY-LJQANCHMSA-N 0 0 458.274 4.762 20 0 JJADRN CCCn1c(C)c(C(=O)NC2(c3ncc(Br)cn3)CCC2)c2cc(OC)ccc21 ZINC001439572312 1065841803 /nfs/dbraw/zinc/84/18/03/1065841803.db2.gz RRHLWPWVGHFBEN-UHFFFAOYSA-N 0 0 457.372 4.730 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N[C@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)o2)cc1 ZINC001439559401 1065841990 /nfs/dbraw/zinc/84/19/90/1065841990.db2.gz ZXPDEOMJXORQEQ-QHCPKHFHSA-N 0 0 454.498 4.621 20 0 JJADRN O=C(NCC[C@H]1CCC2(CCC2)O1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001439575703 1065842585 /nfs/dbraw/zinc/84/25/85/1065842585.db2.gz KVHTZDQWVWZHET-GOSISDBHSA-N 0 0 454.380 4.536 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC1(O)CCCC1 ZINC001360763123 1065842863 /nfs/dbraw/zinc/84/28/63/1065842863.db2.gz QSHGBKIIBZEASM-IXDOHACOSA-N 0 0 451.036 4.707 20 0 JJADRN C[C@H](CC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21)n1cccc1 ZINC001439581535 1065843145 /nfs/dbraw/zinc/84/31/45/1065843145.db2.gz CMSNWVFWICOMMJ-NJYVYQBISA-N 0 0 453.583 4.596 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccc(Br)c(Cl)c1 ZINC001439582485 1065843338 /nfs/dbraw/zinc/84/33/38/1065843338.db2.gz ZPFTYMKQYDDKFI-ZVVFDCPKSA-N 0 0 458.139 4.585 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@@H]1C ZINC001360763328 1065843339 /nfs/dbraw/zinc/84/33/39/1065843339.db2.gz USLKTABMWZMUPB-ABSDTBQOSA-N 0 0 473.593 4.974 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CCS1 ZINC001360763391 1065843404 /nfs/dbraw/zinc/84/34/04/1065843404.db2.gz VONPNBAXAHXSGM-YBVWCTEOSA-N 0 0 465.063 4.810 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCO[C@H]1CCOC1 ZINC001360763542 1065844087 /nfs/dbraw/zinc/84/40/87/1065844087.db2.gz YAPBFWHTQWMSDH-NYUBLWNDSA-N 0 0 499.002 4.995 20 0 JJADRN CC(C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001360764432 1065844543 /nfs/dbraw/zinc/84/45/43/1065844543.db2.gz AKGWOICULJRSDM-KNQAVFIVSA-N 0 0 487.645 4.612 20 0 JJADRN CN(C)c1cc(NC(=O)c2c(F)cccc2I)cc(C(F)(F)F)c1 ZINC001439585719 1065844566 /nfs/dbraw/zinc/84/45/66/1065844566.db2.gz LUPQDBSRHOJOSG-UHFFFAOYSA-N 0 0 452.189 4.767 20 0 JJADRN CCCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1OCCC ZINC001439589970 1065845247 /nfs/dbraw/zinc/84/52/47/1065845247.db2.gz XEHXOQGFBHOFTQ-UHFFFAOYSA-N 0 0 454.567 4.827 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(F)cn1 ZINC001360764605 1065845446 /nfs/dbraw/zinc/84/54/46/1065845446.db2.gz CMEMUEWJPHEIKM-OAHLLOKOSA-N 0 0 470.911 4.824 20 0 JJADRN CN(C)c1cc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)cc(C(F)(F)F)c1 ZINC001439587234 1065845441 /nfs/dbraw/zinc/84/54/41/1065845441.db2.gz VSLOMZASOYGAHW-UHFFFAOYSA-N 0 0 459.188 4.539 20 0 JJADRN Cc1noc(C(F)(F)F)c1C(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001439587224 1065845615 /nfs/dbraw/zinc/84/56/15/1065845615.db2.gz RMXDDVKFQJYHAL-AWEZNQCLSA-N 0 0 453.461 4.736 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cscn2)n1Cc1ccncc1Cl ZINC001360764542 1065845580 /nfs/dbraw/zinc/84/55/80/1065845580.db2.gz BSKBMVYRUYFTNB-AWEZNQCLSA-N 0 0 458.950 4.747 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(Br)o2)n1CC1(C)COC1 ZINC001360764781 1065846113 /nfs/dbraw/zinc/84/61/13/1065846113.db2.gz FIINOWXQOPPBIS-CQSZACIVSA-N 0 0 479.350 4.586 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccsc2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360764822 1065846131 /nfs/dbraw/zinc/84/61/31/1065846131.db2.gz FXGITBWUAUITRM-GOSISDBHSA-N 0 0 485.629 4.904 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CCN1CCOCC1(C)C ZINC001360764879 1065846147 /nfs/dbraw/zinc/84/61/47/1065846147.db2.gz GXRLMTIHOSOIML-HXUWFJFHSA-N 0 0 473.637 4.685 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)Cc3ccc(C)s3)C2)c2ccccc12 ZINC001360764726 1065846236 /nfs/dbraw/zinc/84/62/36/1065846236.db2.gz YYIXYGFZXQFHRX-HKUYNNGSSA-N 0 0 450.604 4.818 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360764813 1065846463 /nfs/dbraw/zinc/84/64/63/1065846463.db2.gz FTZPJYSZMNQJME-SFHVURJKSA-N 0 0 459.610 4.688 20 0 JJADRN Cc1c(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc(Br)cc1C(F)(F)F ZINC001439598861 1065846826 /nfs/dbraw/zinc/84/68/26/1065846826.db2.gz UMIIMSUKJMVXKQ-UHFFFAOYSA-N 0 0 450.276 4.573 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCC1CCOCC1 ZINC001360764900 1065847069 /nfs/dbraw/zinc/84/70/69/1065847069.db2.gz HGLBZFVYTQIZCG-KRWDZBQOSA-N 0 0 491.011 4.787 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C ZINC001360765058 1065848169 /nfs/dbraw/zinc/84/81/69/1065848169.db2.gz KKYHCYSVFSQVOH-FHWLQOOXSA-N 0 0 462.635 4.952 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2nccs2)n1CCCOC(F)(F)F ZINC001360765162 1065848378 /nfs/dbraw/zinc/84/83/78/1065848378.db2.gz LVWIWBHXIDLICZ-CYBMUJFWSA-N 0 0 459.469 4.577 20 0 JJADRN Cn1nc(CNC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1C1CC1 ZINC001439620384 1065849139 /nfs/dbraw/zinc/84/91/39/1065849139.db2.gz BGGYAMCDBZZTRU-OAQYLSRUSA-N 0 0 458.331 4.636 20 0 JJADRN CCCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)[C@@H](C)C(=O)OC ZINC001439627436 1065849653 /nfs/dbraw/zinc/84/96/53/1065849653.db2.gz MGYXTUJPQFSFRC-LBPRGKRZSA-N 0 0 455.736 4.704 20 0 JJADRN CCCN(C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@H](C)C(=O)OC ZINC001439627341 1065849790 /nfs/dbraw/zinc/84/97/90/1065849790.db2.gz LKTDBBSXYSCMMZ-MRXNPFEDSA-N 0 0 459.999 4.630 20 0 JJADRN CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1)N1CCOCC1 ZINC001360765621 1065850478 /nfs/dbraw/zinc/85/04/78/1065850478.db2.gz VMCFFHTUGXQBSZ-URXFXBBRSA-N 0 0 487.664 4.931 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)N1CCc2cc(F)c(Br)cc2C1 ZINC001439629665 1065850503 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C[C@H](Oc1ccccc1F)c1nnc(N(C)CCCc2ccccn2)n1C[C@@H]1CCSC1 ZINC001360766779 1065854192 /nfs/dbraw/zinc/85/41/92/1065854192.db2.gz CPSAZDOZLFFARR-OALUTQOASA-N 0 0 455.603 4.774 20 0 JJADRN CC(C)[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001360766777 1065854203 /nfs/dbraw/zinc/85/42/03/1065854203.db2.gz CPMWYONFHUNQBU-RCZSKKKRSA-N 0 0 471.621 4.857 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCSC(C)(C)C2)c1 ZINC001439670955 1065854352 /nfs/dbraw/zinc/85/43/52/1065854352.db2.gz FRMFTWXVSCQBLC-KRWDZBQOSA-N 0 0 453.029 4.569 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(C(N)=O)nc1 ZINC001360766824 1065854624 /nfs/dbraw/zinc/85/46/24/1065854624.db2.gz DGNQBVXFBNYGCA-ROUUACIJSA-N 0 0 480.588 4.504 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC001439676142 1065855155 /nfs/dbraw/zinc/85/51/55/1065855155.db2.gz FZDMOVNGHWKEPK-WIEQDCTASA-N 0 0 458.331 4.765 20 0 JJADRN Cn1cc([C@H]2CSCCCN2C(=O)Cc2cccc(OCc3ccccc3Cl)c2)cn1 ZINC001439676593 1065855959 /nfs/dbraw/zinc/85/59/59/1065855959.db2.gz HPWSZQYHRXVABY-HSZRJFAPSA-N 0 0 456.011 4.902 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360767389 1065856144 /nfs/dbraw/zinc/85/61/44/1065856144.db2.gz ORASTTPHGQJZJZ-QZWWFDLISA-N 0 0 483.510 4.518 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001439678700 1065856613 /nfs/dbraw/zinc/85/66/13/1065856613.db2.gz VGEDLHIANSFKSD-SANMLTNESA-N 0 0 454.729 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3cccc(OCc4cccs4)c3)cc2C1 ZINC001439678249 1065856631 /nfs/dbraw/zinc/85/66/31/1065856631.db2.gz MJRNPCXPBRXEGP-UHFFFAOYSA-N 0 0 454.552 4.527 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O ZINC001360767595 1065856633 /nfs/dbraw/zinc/85/66/33/1065856633.db2.gz RKKHBNSPHMFZAW-UYAOXDASSA-N 0 0 490.601 4.533 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCc1cn2ccccc2n1 ZINC001360767836 1065857311 /nfs/dbraw/zinc/85/73/11/1065857311.db2.gz UOLVLNDTPASLMU-LJQANCHMSA-N 0 0 480.588 4.699 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCS2)CC1 ZINC001360767923 1065857444 /nfs/dbraw/zinc/85/74/44/1065857444.db2.gz VPUYQLOFZPREGF-UYAOXDASSA-N 0 0 489.661 4.536 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 ZINC001360767897 1065857479 /nfs/dbraw/zinc/85/74/79/1065857479.db2.gz VDNASQXUQPODAY-QGZVFWFLSA-N 0 0 492.642 4.611 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1CC1CC(F)(F)C1 ZINC001360767819 1065857578 /nfs/dbraw/zinc/85/75/78/1065857578.db2.gz ULJOTSYCIQLVIS-CQSZACIVSA-N 0 0 451.518 4.738 20 0 JJADRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc(F)ccc1F ZINC001360768314 1065858183 /nfs/dbraw/zinc/85/81/83/1065858183.db2.gz JCSJVPMXARESQJ-HXUWFJFHSA-N 0 0 456.942 4.674 20 0 JJADRN 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C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CCCOC[C@H]1CCCO1 ZINC001360769155 1065860586 /nfs/dbraw/zinc/86/05/86/1065860586.db2.gz DYVKYVFBUYZVII-WOJBJXKFSA-N 0 0 460.594 4.769 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)ccc1Br ZINC001439699778 1065860655 /nfs/dbraw/zinc/86/06/55/1065860655.db2.gz ADKODAULOLUDHO-KRWDZBQOSA-N 0 0 455.393 4.612 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001439700109 1065860680 /nfs/dbraw/zinc/86/06/80/1065860680.db2.gz LQOPOGHKNVSSHJ-XJKSGUPXSA-N 0 0 457.434 4.691 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1([S@](C)=O)CC1 ZINC001360769206 1065861012 /nfs/dbraw/zinc/86/10/12/1065861012.db2.gz FZFKRXKLPVRPJF-CAROCFPZSA-N 0 0 488.551 4.637 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360769439 1065861665 /nfs/dbraw/zinc/86/16/65/1065861665.db2.gz ISNMKNUZZYBRMJ-QYZOEREBSA-N 0 0 487.620 4.906 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360769461 1065862028 /nfs/dbraw/zinc/86/20/28/1065862028.db2.gz JGECUIZPDMIHEA-HMJJTBFXSA-N 0 0 464.651 4.977 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)cc1 ZINC001439703169 1065862077 /nfs/dbraw/zinc/86/20/77/1065862077.db2.gz IBPWBLDYBDNXKN-JOCHJYFZSA-N 0 0 450.608 4.719 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 ZINC001439706477 1065862646 /nfs/dbraw/zinc/86/26/46/1065862646.db2.gz WWHYFZBRBRQVRY-UHFFFAOYSA-N 0 0 458.990 4.582 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCCn1cc(Br)cn1 ZINC001360769918 1065863303 /nfs/dbraw/zinc/86/33/03/1065863303.db2.gz PXOQNJJSDKJTPQ-BBWFWOEESA-N 0 0 491.409 4.841 20 0 JJADRN COc1c(Cl)cccc1CNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001439725408 1065864539 /nfs/dbraw/zinc/86/45/39/1065864539.db2.gz AXBULZZQJYFRNA-UHFFFAOYSA-N 0 0 450.848 4.756 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CCCO)CC2)n1CC[C@@H]1CCCCO1 ZINC001360770030 1065864709 /nfs/dbraw/zinc/86/47/09/1065864709.db2.gz RTDXUXLACNXJNZ-CTNGQTDRSA-N 0 0 460.594 4.505 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CC(C)(C)C(F)(F)F ZINC001360770047 1065864871 /nfs/dbraw/zinc/86/48/71/1065864871.db2.gz SCYSGPFIDZRHOJ-IAGOWNOFSA-N 0 0 494.537 4.948 20 0 JJADRN CC[S@](=O)(=NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(Cl)c1 ZINC001439730713 1065865116 /nfs/dbraw/zinc/86/51/16/1065865116.db2.gz DXSCCFMOXYVHOZ-SSEXGKCCSA-N 0 0 454.926 4.544 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C ZINC001360770141 1065865558 /nfs/dbraw/zinc/86/55/58/1065865558.db2.gz UCHVEUGOXAHOPW-QZTJIDSGSA-N 0 0 469.609 4.824 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001439732090 1065865880 /nfs/dbraw/zinc/86/58/80/1065865880.db2.gz JJDQSRSXLSXVMO-ADSBAMQRSA-N 0 0 450.988 4.849 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCC1=CCCCC1 ZINC001360770256 1065866040 /nfs/dbraw/zinc/86/60/40/1065866040.db2.gz WIMCKCPZHJNTJO-LJQANCHMSA-N 0 0 469.605 4.930 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001439733241 1065866716 /nfs/dbraw/zinc/86/67/16/1065866716.db2.gz HPPNRHZRSFQDJU-NRFANRHFSA-N 0 0 456.970 4.638 20 0 JJADRN CC[S@](=O)(=NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(Cl)c1 ZINC001439734811 1065867280 /nfs/dbraw/zinc/86/72/80/1065867280.db2.gz QWKUVGNUTNYMLE-WJOKGBTCSA-N 0 0 458.967 4.956 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1Cc1nccc(C(F)F)n1 ZINC001360770605 1065867602 /nfs/dbraw/zinc/86/76/02/1065867602.db2.gz ZOGDDSTWLTVTKU-ZDUSSCGKSA-N 0 0 468.430 4.569 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001439737075 1065867828 /nfs/dbraw/zinc/86/78/28/1065867828.db2.gz ZVHGKAYCLMPJDF-SJORKVTESA-N 0 0 454.533 4.997 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@H](C)c2ccc(OC)c(C)c2)cc1OCC ZINC001439736490 1065868018 /nfs/dbraw/zinc/86/80/18/1065868018.db2.gz GRDNFXDOMYIWRG-OAHLLOKOSA-N 0 0 450.373 4.983 20 0 JJADRN CC[S@](=O)(=NC(=O)c1cc(F)ccc1I)c1cccc(Cl)c1 ZINC001439738612 1065868809 /nfs/dbraw/zinc/86/88/09/1065868809.db2.gz ZYXBDYLLOLBVOR-JOCHJYFZSA-N 0 0 451.688 4.771 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCCSC1 ZINC001360771856 1065869525 /nfs/dbraw/zinc/86/95/25/1065869525.db2.gz DBKDXBYNZWTXOS-HOTGVXAUSA-N 0 0 488.551 4.594 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001360771888 1065869795 /nfs/dbraw/zinc/86/97/95/1065869795.db2.gz DNFSGHZMECSRIG-UYXZNNOOSA-N 0 0 474.621 4.892 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC001439747446 1065870158 /nfs/dbraw/zinc/87/01/58/1065870158.db2.gz JPIZAQCYIFFAGX-OAHLLOKOSA-N 0 0 455.194 4.836 20 0 JJADRN CC(C)n1cc(Br)c(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC001439747444 1065870260 /nfs/dbraw/zinc/87/02/60/1065870260.db2.gz JPIZAQCYIFFAGX-HNNXBMFYSA-N 0 0 455.194 4.836 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001360772607 1065870194 /nfs/dbraw/zinc/87/01/94/1065870194.db2.gz MNHUQWQBFXKOCP-BFUOFWGJSA-N 0 0 455.407 4.800 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1CCc1ccc(Cl)s1 ZINC001360772953 1065870460 /nfs/dbraw/zinc/87/04/60/1065870460.db2.gz FTIGQALUVFZHHX-HNNXBMFYSA-N 0 0 450.967 4.742 20 0 JJADRN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001439750198 1065871085 /nfs/dbraw/zinc/87/10/85/1065871085.db2.gz PZCQREAYCLIJSD-QGZVFWFLSA-N 0 0 450.760 4.650 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1CCCCC1 ZINC001360774206 1065873312 /nfs/dbraw/zinc/87/33/12/1065873312.db2.gz OWBAXXCDKSYDKR-KRWDZBQOSA-N 0 0 469.527 4.822 20 0 JJADRN CSC[C@@H](C(=O)Nc1cccc(Oc2ccccc2C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001439775867 1065873818 /nfs/dbraw/zinc/87/38/18/1065873818.db2.gz QSEUNEFKYGLVNG-HBMCJLEFSA-N 0 0 452.576 4.633 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)c1nc(Cl)ccc1F ZINC001439777182 1065874378 /nfs/dbraw/zinc/87/43/78/1065874378.db2.gz KWWRSGAZWDNGNO-SFHVURJKSA-N 0 0 458.702 4.716 20 0 JJADRN C[C@@H]1Cc2cc(NC(=O)c3cccc(Br)c3I)ccc2O1 ZINC001439777710 1065874983 /nfs/dbraw/zinc/87/49/83/1065874983.db2.gz YSVRRSARKCIDLC-SECBINFHSA-N 0 0 458.093 4.629 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001360775020 1065876006 /nfs/dbraw/zinc/87/60/06/1065876006.db2.gz QLTGFJYOSYBVSJ-LJQANCHMSA-N 0 0 496.631 4.850 20 0 JJADRN O=C([C@@H]1CCc2cc(Br)ccc21)N1CCc2cc(Br)c(F)cc2C1 ZINC001439786409 1065876442 /nfs/dbraw/zinc/87/64/42/1065876442.db2.gz FXOASJHJKRAKGK-MRXNPFEDSA-N 0 0 453.149 4.965 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(Cl)s1 ZINC001360775124 1065876661 /nfs/dbraw/zinc/87/66/61/1065876661.db2.gz XXUJMGWSDDBHAY-CQSZACIVSA-N 0 0 485.963 4.708 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001360775340 1065877319 /nfs/dbraw/zinc/87/73/19/1065877319.db2.gz SGXSNIBXOSLGHC-MOPGFXCFSA-N 0 0 455.582 4.672 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)c(OCC(C)C)c1 ZINC001439788620 1065877486 /nfs/dbraw/zinc/87/74/86/1065877486.db2.gz KPCLNSRZDHNSMK-JJKQHFEOSA-N 0 0 455.418 4.680 20 0 JJADRN Cc1cccc([C@@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C(=O)OC(C)(C)C)c1 ZINC001439791681 1065878009 /nfs/dbraw/zinc/87/80/09/1065878009.db2.gz VXEFBXWHRIDROB-MRXNPFEDSA-N 0 0 450.377 4.522 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCCCCO ZINC001360775554 1065878053 /nfs/dbraw/zinc/87/80/53/1065878053.db2.gz WBJQTPMFRRMZBD-IRXDYDNUSA-N 0 0 458.500 4.889 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCCCn1cc(Br)cn1 ZINC001360775590 1065878797 /nfs/dbraw/zinc/87/87/97/1065878797.db2.gz WJUROYCVAHQZME-IRXDYDNUSA-N 0 0 491.409 4.985 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc(F)ccc3N3CCC(C)CC3)c(C)c12 ZINC001439792568 1065878860 /nfs/dbraw/zinc/87/88/60/1065878860.db2.gz JGPTZVGDZXRPMP-UHFFFAOYSA-N 0 0 453.562 4.540 20 0 JJADRN O=C(CCN1C(=O)CCc2ccccc21)Nc1cc(OC(F)(F)F)ccc1Br ZINC001439795763 1065879389 /nfs/dbraw/zinc/87/93/89/1065879389.db2.gz DASWLXNTNAWLOT-UHFFFAOYSA-N 0 0 457.246 4.656 20 0 JJADRN CC(C)(C(=O)N1CCn2c(cnc2C(F)(F)F)C1)c1csc(-c2c(F)cccc2F)n1 ZINC001439798312 1065879961 /nfs/dbraw/zinc/87/99/61/1065879961.db2.gz IYFGHRGNJCIZJL-UHFFFAOYSA-N 0 0 456.440 4.624 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC001360776140 1065880182 /nfs/dbraw/zinc/88/01/82/1065880182.db2.gz BIIXUUPXPDFDJY-UHFFFAOYSA-N 0 0 451.592 4.955 20 0 JJADRN Cc1nc2ccnn2c(C)c1CCC(=O)Nc1cc(OC(F)(F)F)ccc1Br ZINC001439801309 1065880712 /nfs/dbraw/zinc/88/07/12/1065880712.db2.gz UWYQWEZMVFXPBP-UHFFFAOYSA-N 0 0 457.250 4.579 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1NC(=O)OC(C)(C)C ZINC001360776497 1065880538 /nfs/dbraw/zinc/88/05/38/1065880538.db2.gz OPECGXNRBSMZAV-SFHVURJKSA-N 0 0 457.958 4.921 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1NC(=O)OC(C)(C)C ZINC001360776496 1065880642 /nfs/dbraw/zinc/88/06/42/1065880642.db2.gz OPECGXNRBSMZAV-GOSISDBHSA-N 0 0 457.958 4.921 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)cc2)c1 ZINC001360777364 1065881232 /nfs/dbraw/zinc/88/12/32/1065881232.db2.gz WDBDIAVECBCUTD-UHFFFAOYSA-N 0 0 451.567 4.747 20 0 JJADRN CCc1c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001360777215 1065881427 /nfs/dbraw/zinc/88/14/27/1065881427.db2.gz XJWVPYCLSYTALI-IBGZPJMESA-N 0 0 457.361 4.667 20 0 JJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000025874205 1065881935 /nfs/dbraw/zinc/88/19/35/1065881935.db2.gz VLMWDYISQNQYDW-UHFFFAOYSA-N 0 0 462.556 4.890 20 0 JJADRN CCc1nc(OC)ccc1NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001439825524 1065882903 /nfs/dbraw/zinc/88/29/03/1065882903.db2.gz PLJWVEZINQLPMK-UHFFFAOYSA-N 0 0 451.091 4.816 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1 ZINC001439823097 1065883035 /nfs/dbraw/zinc/88/30/35/1065883035.db2.gz AOCKTRUXFBUZIE-IBGZPJMESA-N 0 0 452.551 4.516 20 0 JJADRN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001439827248 1065883840 /nfs/dbraw/zinc/88/38/40/1065883840.db2.gz PGPOCLYNGHQOQW-NRFANRHFSA-N 0 0 451.889 4.989 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CCS1 ZINC001360778046 1065883887 /nfs/dbraw/zinc/88/38/87/1065883887.db2.gz JWKLCYWVNJPOFL-YJBOKZPZSA-N 0 0 480.560 4.775 20 0 JJADRN O=C(Nc1ccnn1Cc1ccc(Cl)s1)[C@H]1CCOc2ccc(Br)cc21 ZINC001439829448 1065884272 /nfs/dbraw/zinc/88/42/72/1065884272.db2.gz XQCZXAGYXZCMGN-ZDUSSCGKSA-N 0 0 452.761 4.914 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCOC(F)F ZINC001360778278 1065884339 /nfs/dbraw/zinc/88/43/39/1065884339.db2.gz NGQMVBAXVMEFCE-WAIKUNEKSA-N 0 0 470.536 4.828 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001360778310 1065884478 /nfs/dbraw/zinc/88/44/78/1065884478.db2.gz NSDHHMIVNMHPKM-MHPIHPPYSA-N 0 0 460.594 4.624 20 0 JJADRN CC1(CNC(=O)c2csc(-c3cc(Br)cs3)n2)CCC2(CC1)OCCO2 ZINC001439833459 1065885046 /nfs/dbraw/zinc/88/50/46/1065885046.db2.gz MKKZNQUOHCKLJB-UHFFFAOYSA-N 0 0 457.415 4.687 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC001439834393 1065885122 /nfs/dbraw/zinc/88/51/22/1065885122.db2.gz NGVOKRGDEXGOGQ-UHFFFAOYSA-N 0 0 456.288 4.887 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC001439841797 1065885673 /nfs/dbraw/zinc/88/56/73/1065885673.db2.gz MOMITISNZFMVAZ-NEWSRXKRSA-N 0 0 456.505 4.593 20 0 JJADRN O=C(Cc1ccccc1N1CCCC1=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001360778722 1065885835 /nfs/dbraw/zinc/88/58/35/1065885835.db2.gz CTLFGPVORBIVGG-UHFFFAOYSA-N 0 0 455.396 4.747 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001360779290 1065886259 /nfs/dbraw/zinc/88/62/59/1065886259.db2.gz WVMMIFVJPWWFDJ-VJANTYMQSA-N 0 0 491.583 4.799 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](C(=O)OC)c3ccc(C(F)(F)F)cc3)c2)c1C ZINC001439856423 1065887049 /nfs/dbraw/zinc/88/70/49/1065887049.db2.gz RYANJNWTWJMVAV-OAQYLSRUSA-N 0 0 459.468 4.714 20 0 JJADRN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)C2)n1 ZINC001439859126 1065887078 /nfs/dbraw/zinc/88/70/78/1065887078.db2.gz LLUOVDLLCWIHHJ-XJKSGUPXSA-N 0 0 457.328 4.648 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC001360779667 1065887496 /nfs/dbraw/zinc/88/74/96/1065887496.db2.gz NRDULZBUIIQFRJ-CQSZACIVSA-N 0 0 455.769 4.707 20 0 JJADRN C[C@@H](OCCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360779827 1065887548 /nfs/dbraw/zinc/88/75/48/1065887548.db2.gz BNFYJYADDKMJSP-NFBKMPQASA-N 0 0 499.656 4.791 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCCCCO ZINC001360779801 1065887565 /nfs/dbraw/zinc/88/75/65/1065887565.db2.gz BCIMPSLGVZTIGX-FGTMMUONSA-N 0 0 454.537 4.837 20 0 JJADRN C[C@@H](OCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360780173 1065888113 /nfs/dbraw/zinc/88/81/13/1065888113.db2.gz FAIVNGDQAQRRKV-IFMALSPDSA-N 0 0 492.624 4.611 20 0 JJADRN O=C(NCc1ncc(Br)cn1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001439892608 1065889135 /nfs/dbraw/zinc/88/91/35/1065889135.db2.gz GMYLVSHXBIACKH-GOSISDBHSA-N 0 0 450.308 4.667 20 0 JJADRN Cc1nn(CC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c2ncccc12 ZINC001360780576 1065889615 /nfs/dbraw/zinc/88/96/15/1065889615.db2.gz ZSEXBLFWXDTFIN-UHFFFAOYSA-N 0 0 451.324 4.720 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCOC1CCCCC1 ZINC001360780684 1065889957 /nfs/dbraw/zinc/88/99/57/1065889957.db2.gz JUDKMNMWSKLHFQ-ZCNNSNEGSA-N 0 0 460.594 4.910 20 0 JJADRN C[C@@H](OCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001360780722 1065890156 /nfs/dbraw/zinc/89/01/56/1065890156.db2.gz 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C[C@@H](OCCCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360781485 1065893143 /nfs/dbraw/zinc/89/31/43/1065893143.db2.gz ZOOPFODXJABNGO-OFNKIYASSA-N 0 0 483.657 4.892 20 0 JJADRN CC(=O)Nc1c(C)ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c1C ZINC001360782128 1065893268 /nfs/dbraw/zinc/89/32/68/1065893268.db2.gz STMJJMRURIVJAA-STZFKDTASA-N 0 0 458.547 4.614 20 0 JJADRN CCCCOCCN(C(=O)c1cn(Cc2ccccc2)nn1)c1ccc(Br)cc1 ZINC001360782337 1065893322 /nfs/dbraw/zinc/89/33/22/1065893322.db2.gz AMYFQDCRIINOLS-UHFFFAOYSA-N 0 0 457.372 4.552 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1sc(-c3ccc(Cl)cc3)nc1C)CCS2 ZINC001439932138 1065893941 /nfs/dbraw/zinc/89/39/41/1065893941.db2.gz IQUHNEGSCGIJFD-PKAMJGAUSA-N 0 0 451.013 4.719 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Cc3ccc(C4CCC4)cc3)CC2)c(Cl)c1 ZINC001360782842 1065894010 /nfs/dbraw/zinc/89/40/10/1065894010.db2.gz UCCUFMFRFUSCCO-LJQANCHMSA-N 0 0 454.998 4.597 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cc3ccc(C4CCC4)cc3)CC2)c(Cl)c1 ZINC001360782841 1065894094 /nfs/dbraw/zinc/89/40/94/1065894094.db2.gz UCCUFMFRFUSCCO-IBGZPJMESA-N 0 0 454.998 4.597 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccnc(Oc3ccccc3Br)c1)CO2 ZINC001360782747 1065894121 /nfs/dbraw/zinc/89/41/21/1065894121.db2.gz PFUPZOFBHQSAEK-OAHLLOKOSA-N 0 0 455.308 4.835 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1ccnc(NC(=O)C2CC2)c1 ZINC001360782953 1065894134 /nfs/dbraw/zinc/89/41/34/1065894134.db2.gz YOYQEAGPNCKQKA-UHFFFAOYSA-N 0 0 453.296 4.632 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1ccnc(N2CCCCC2)n1 ZINC001360782982 1065894145 /nfs/dbraw/zinc/89/41/45/1065894145.db2.gz ZLMDIJNOSOJZAE-UHFFFAOYSA-N 0 0 454.328 4.669 20 0 JJADRN Cc1ncccc1CCNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001439942761 1065895110 /nfs/dbraw/zinc/89/51/10/1065895110.db2.gz RJFLVBMIJYUSBE-UHFFFAOYSA-N 0 0 452.580 4.757 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1ccc(F)cc1F ZINC001439952011 1065895402 /nfs/dbraw/zinc/89/54/02/1065895402.db2.gz AEBIVEJNUJEBTM-INIZCTEOSA-N 0 0 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1065901847 /nfs/dbraw/zinc/90/18/47/1065901847.db2.gz RULRLZIVDHWBCZ-UHFFFAOYSA-N 0 0 456.951 4.966 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)[C@H]1c1cccc(Cl)c1 ZINC001440005224 1065901908 /nfs/dbraw/zinc/90/19/08/1065901908.db2.gz ZUESLAGJZOSVHQ-SIKLNZKXSA-N 0 0 459.373 4.634 20 0 JJADRN Cc1ccc(CO[C@@H](C)C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001440014707 1065902534 /nfs/dbraw/zinc/90/25/34/1065902534.db2.gz AQQHRHNGCCYHID-FQEVSTJZSA-N 0 0 452.595 4.947 20 0 JJADRN Cc1cc(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)nn1[C@@H](C)C1CC1 ZINC001440020975 1065903717 /nfs/dbraw/zinc/90/37/17/1065903717.db2.gz RAEQEWBFTAHYRU-SFHVURJKSA-N 0 0 452.599 4.823 20 0 JJADRN O=C(c1cnn2cc(Br)cnc12)N1CCCc2c(C(F)(F)F)ccc(Cl)c21 ZINC001440020385 1065903745 /nfs/dbraw/zinc/90/37/45/1065903745.db2.gz RODUHFZYEXATEI-UHFFFAOYSA-N 0 0 459.653 4.757 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c(C(=O)OC)c1F ZINC001440027846 1065904095 /nfs/dbraw/zinc/90/40/95/1065904095.db2.gz KYXQZBVLDNLMPY-UHFFFAOYSA-N 0 0 452.360 4.937 20 0 JJADRN O=C(NCC[S@](=O)Cc1ccccc1)c1ccc(-c2ccc(Br)s2)s1 ZINC001360789395 1065904472 /nfs/dbraw/zinc/90/44/72/1065904472.db2.gz CSUXSNKLEXRYLF-VWLOTQADSA-N 0 0 454.436 4.918 20 0 JJADRN Cc1noc(-c2ccc(C(=O)N(C)c3ccccc3C(=O)N(C)CCc3ccccc3)cc2)n1 ZINC001360789541 1065904512 /nfs/dbraw/zinc/90/45/12/1065904512.db2.gz IBCNPKYNPINQEZ-UHFFFAOYSA-N 0 0 454.530 4.636 20 0 JJADRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)CCc2ccc(OC(F)(F)F)cc2)cc1 ZINC001360789956 1065904522 /nfs/dbraw/zinc/90/45/22/1065904522.db2.gz VTVMHQDOFUCOIX-UHFFFAOYSA-N 0 0 457.452 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)CC1 ZINC001440031650 1065905043 /nfs/dbraw/zinc/90/50/43/1065905043.db2.gz NGEAQFBRDMMRNS-UHFFFAOYSA-N 0 0 458.530 4.907 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001360790249 1065905079 /nfs/dbraw/zinc/90/50/79/1065905079.db2.gz CPZZZAFECCKUDD-OAHLLOKOSA-N 0 0 450.848 4.808 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[C@@H](Cc2nccs2)C1 ZINC001440038044 1065905830 /nfs/dbraw/zinc/90/58/30/1065905830.db2.gz BUSUMTFHPGQMOG-ZDUSSCGKSA-N 0 0 458.937 4.518 20 0 JJADRN C[C@]1(C(N)=O)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCC2CCCC2)C1 ZINC001360792357 1065907001 /nfs/dbraw/zinc/90/70/01/1065907001.db2.gz NKMWQKWXIJTJHG-QFIPXVFZSA-N 0 0 478.410 4.519 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)CCc1ccc2c(c1)CCO2 ZINC001360794141 1065908089 /nfs/dbraw/zinc/90/80/89/1065908089.db2.gz RGPRRFNXEBEIMD-RPWUZVMVSA-N 0 0 450.579 4.592 20 0 JJADRN Cc1c(Cl)cccc1OCC(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001440064464 1065908096 /nfs/dbraw/zinc/90/80/96/1065908096.db2.gz LLSTYFFAVLUULF-OAQYLSRUSA-N 0 0 451.007 4.911 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)C1(c3ccc(N(C)C)cc3)CC1)CC2 ZINC001440064379 1065908343 /nfs/dbraw/zinc/90/83/43/1065908343.db2.gz LASNLDQUHFNITB-QFIPXVFZSA-N 0 0 455.643 4.668 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)CCc1ccc2c(c1)CCO2 ZINC001360794140 1065908259 /nfs/dbraw/zinc/90/82/59/1065908259.db2.gz RGPRRFNXEBEIMD-DNQXCXABSA-N 0 0 450.579 4.592 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCc3ncc(Br)n3C2)c(C)c1 ZINC001440062262 1065908425 /nfs/dbraw/zinc/90/84/25/1065908425.db2.gz HOGUTNBFSABJQT-HNNXBMFYSA-N 0 0 457.397 4.553 20 0 JJADRN C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001360794317 1065908661 /nfs/dbraw/zinc/90/86/61/1065908661.db2.gz NALBMYHQVAFMCJ-QVKFZJNVSA-N 0 0 496.400 4.625 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)/C=C\c1cnc3ccccc3n1)CC2 ZINC001440067895 1065909037 /nfs/dbraw/zinc/90/90/37/1065909037.db2.gz YLFXKIGKVQAWRU-JCKUYFFHSA-N 0 0 450.583 4.527 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)c1 ZINC001440075046 1065909363 /nfs/dbraw/zinc/90/93/63/1065909363.db2.gz OGTGKGMIENEAAU-UHFFFAOYSA-N 0 0 450.760 4.903 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(Cc2cccs2)CCCCC1 ZINC001360795642 1065909580 /nfs/dbraw/zinc/90/95/80/1065909580.db2.gz IRGGNPZYJSSWKP-UHFFFAOYSA-N 0 0 450.626 4.529 20 0 JJADRN COc1ccc(C(=O)C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1Cl ZINC001440077804 1065909977 /nfs/dbraw/zinc/90/99/77/1065909977.db2.gz MROSVDFCZMQIHB-UHFFFAOYSA-N 0 0 453.269 4.507 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001440076459 1065910069 /nfs/dbraw/zinc/91/00/69/1065910069.db2.gz MHLCYTJTJUFIAW-WEIZKGKXSA-N 0 0 465.594 4.943 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC001360796196 1065910136 /nfs/dbraw/zinc/91/01/36/1065910136.db2.gz WEHRFIYIWSSHGK-QHCPKHFHSA-N 0 0 451.592 4.999 20 0 JJADRN Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1NC(=O)OC(C)(C)C ZINC001440079253 1065910228 /nfs/dbraw/zinc/91/02/28/1065910228.db2.gz PTTLVSBHZFKDJR-BVZFJXPGSA-N 0 0 459.587 4.861 20 0 JJADRN O=C(COc1cccc(I)c1)Nc1ncc(-c2cccc(F)c2)s1 ZINC001440083600 1065910559 /nfs/dbraw/zinc/91/05/59/1065910559.db2.gz ZUDJNDHUQICDEU-UHFFFAOYSA-N 0 0 454.264 4.571 20 0 JJADRN CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360799186 1065910642 /nfs/dbraw/zinc/91/06/42/1065910642.db2.gz WKGONOBXCYEUSB-QGZVFWFLSA-N 0 0 487.929 4.821 20 0 JJADRN COc1ccccc1N1CCCN(C(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC001440083230 1065910706 /nfs/dbraw/zinc/91/07/06/1065910706.db2.gz ZTNCYGYLOZHNKJ-UHFFFAOYSA-N 0 0 451.792 4.783 20 0 JJADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1cc(Br)ccc1OC(F)F ZINC001440092812 1065911198 /nfs/dbraw/zinc/91/11/98/1065911198.db2.gz RNVCOMULFWZGLP-UHFFFAOYSA-N 0 0 454.267 4.739 20 0 JJADRN Cc1ccc([C@H]2CCCCN2C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)cc1 ZINC001360800019 1065911233 /nfs/dbraw/zinc/91/12/33/1065911233.db2.gz SOCUYHYNNBTPFM-RBBKRZOGSA-N 0 0 453.587 4.526 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001360800778 1065911624 /nfs/dbraw/zinc/91/16/24/1065911624.db2.gz LKKIWOLBSNNIGR-UWJYYQICSA-N 0 0 456.583 4.985 20 0 JJADRN CC1(C)CCC(NC(=O)Cc2ccc(I)c(Br)c2)CC1 ZINC001360801085 1065911673 /nfs/dbraw/zinc/91/16/73/1065911673.db2.gz SLLRQECBCBYAOF-UHFFFAOYSA-N 0 0 450.158 4.681 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC001440099895 1065911803 /nfs/dbraw/zinc/91/18/03/1065911803.db2.gz IZURDBXPPHPTJQ-DFQSSKMNSA-N 0 0 457.368 4.998 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)nn1-c1cccc(F)c1 ZINC001440100988 1065911844 /nfs/dbraw/zinc/91/18/44/1065911844.db2.gz LTKNFVBYOQQRPB-UHFFFAOYSA-N 0 0 453.518 4.807 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Br ZINC001360800625 1065911792 /nfs/dbraw/zinc/91/17/92/1065911792.db2.gz IEBPULRLEWQRCS-GUYCJALGSA-N 0 0 459.812 4.939 20 0 JJADRN CC(=O)Nc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001360801274 1065911832 /nfs/dbraw/zinc/91/18/32/1065911832.db2.gz YRANXHQKSHJAPT-FZKQIMNGSA-N 0 0 457.493 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)c2ccc(OC(F)F)cc2F)n1 ZINC001440107627 1065912075 /nfs/dbraw/zinc/91/20/75/1065912075.db2.gz KZRGRMZILXSVOK-OAHLLOKOSA-N 0 0 452.433 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)Cc2coc3c2ccc(F)c3F)n1 ZINC001440104328 1065912156 /nfs/dbraw/zinc/91/21/56/1065912156.db2.gz CUDUTVMQGNKAKF-MRXNPFEDSA-N 0 0 458.465 4.754 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@@H]1C ZINC001440101219 1065912169 /nfs/dbraw/zinc/91/21/69/1065912169.db2.gz JFAWOESWVLJTRK-BONWFUQQSA-N 0 0 454.615 4.810 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1NC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC001440102916 1065912178 /nfs/dbraw/zinc/91/21/78/1065912178.db2.gz VLINGCCRVBDSPV-UHFFFAOYSA-N 0 0 457.918 4.612 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)Cc2ccc(OCCOc3ccccc3)cc2)[C@H]1C ZINC001440103434 1065912203 /nfs/dbraw/zinc/91/22/03/1065912203.db2.gz QYAQOKDRTOZEFB-VSCPTIONSA-N 0 0 453.579 4.512 20 0 JJADRN O=C(CCCc1cccs1)Nc1cccc(C(=O)NCc2ncccc2Br)c1 ZINC001440112220 1065912652 /nfs/dbraw/zinc/91/26/52/1065912652.db2.gz JDRDWFXTQTYODJ-UHFFFAOYSA-N 0 0 458.381 4.797 20 0 JJADRN C/C=C/COc1cccc(CC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001440109811 1065912806 /nfs/dbraw/zinc/91/28/06/1065912806.db2.gz NSWUAQSPPHYWNY-RRFGBZISSA-N 0 0 452.555 4.685 20 0 JJADRN O=C(Nc1cccc(N2C(=O)CCC2=O)c1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001440117147 1065913159 /nfs/dbraw/zinc/91/31/59/1065913159.db2.gz OCIIIIDWMQQSKL-UHFFFAOYSA-N 0 0 459.193 4.513 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001360802178 1065913867 /nfs/dbraw/zinc/91/38/67/1065913867.db2.gz AJAUVQHQVMUKAI-RPBOFIJWSA-N 0 0 494.602 4.534 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360802230 1065913902 /nfs/dbraw/zinc/91/39/02/1065913902.db2.gz BLVNRXLYDLDOAS-HJPURHCSSA-N 0 0 470.511 4.969 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360802763 1065914232 /nfs/dbraw/zinc/91/42/32/1065914232.db2.gz MZTLDMAOTORQRQ-QFIPXVFZSA-N 0 0 488.410 4.580 20 0 JJADRN COCC[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001440127108 1065914210 /nfs/dbraw/zinc/91/42/10/1065914210.db2.gz ZQKUOFPNQYSWAF-ZHRRBRCNSA-N 0 0 456.505 4.733 20 0 JJADRN COC1(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCC(F)(F)CC1 ZINC001440127044 1065914381 /nfs/dbraw/zinc/91/43/81/1065914381.db2.gz ZLVNLFJSAOGZPF-KRWDZBQOSA-N 0 0 459.459 4.846 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC001360804279 1065915236 /nfs/dbraw/zinc/91/52/36/1065915236.db2.gz PWCHWXCWXCKCHH-CQSZACIVSA-N 0 0 451.367 4.802 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001360804886 1065915728 /nfs/dbraw/zinc/91/57/28/1065915728.db2.gz AVIAJNWBVVACQG-SFHVURJKSA-N 0 0 474.447 4.626 20 0 JJADRN Cn1cc(-c2csc(NC(=O)C[C@H]3OCCc4ccccc43)c2C(=O)OC(C)(C)C)cn1 ZINC001440143999 1065915990 /nfs/dbraw/zinc/91/59/90/1065915990.db2.gz WLIYVRZFDBFILD-LJQANCHMSA-N 0 0 453.564 4.747 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)Nc2ccccc2)C1 ZINC001360805093 1065916188 /nfs/dbraw/zinc/91/61/88/1065916188.db2.gz HUGYMVKEZKLXAJ-UHFFFAOYSA-N 0 0 471.403 4.691 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)(F)F)C1 ZINC001360804984 1065916215 /nfs/dbraw/zinc/91/62/15/1065916215.db2.gz DGWLFXCATZWHDR-UHFFFAOYSA-N 0 0 450.303 4.589 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360805080 1065916345 /nfs/dbraw/zinc/91/63/45/1065916345.db2.gz HMFAMHIWGFAVMF-LJQANCHMSA-N 0 0 450.549 4.783 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)C1 ZINC001360805479 1065917236 /nfs/dbraw/zinc/91/72/36/1065917236.db2.gz RTIKFHJHDVPNRL-HNNXBMFYSA-N 0 0 451.384 4.900 20 0 JJADRN C[C@](O)(C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805458 1065917283 /nfs/dbraw/zinc/91/72/83/1065917283.db2.gz RERAXPFTHJFHOL-CDMIOBSGSA-N 0 0 458.569 4.528 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cccc(OCc3csc(C)n3)c2)CC[C@H](C)c2ccccc21 ZINC001440152386 1065917595 /nfs/dbraw/zinc/91/75/95/1065917595.db2.gz SVSYHJBLGHSESP-IVCQMTBJSA-N 0 0 450.560 4.726 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccnc2OCC(F)F)C1 ZINC001360805683 1065917826 /nfs/dbraw/zinc/91/78/26/1065917826.db2.gz WWZIPCSNDPQDAT-UHFFFAOYSA-N 0 0 495.372 4.749 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001360805684 1065917881 /nfs/dbraw/zinc/91/78/81/1065917881.db2.gz WZDRDLKFFKMNFH-GOSISDBHSA-N 0 0 455.569 4.657 20 0 JJADRN CCCc1c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(C)cc1 ZINC001440157539 1065918564 /nfs/dbraw/zinc/91/85/64/1065918564.db2.gz YQVZSLZXONRHBC-FQEVSTJZSA-N 0 0 454.615 4.900 20 0 JJADRN CCOc1ccc(CCCC(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)cc1OCC ZINC001440157707 1065918590 /nfs/dbraw/zinc/91/85/90/1065918590.db2.gz RLGCAGAPTNRAOM-OAQYLSRUSA-N 0 0 456.583 4.686 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001360806772 1065918834 /nfs/dbraw/zinc/91/88/34/1065918834.db2.gz XQTAMUBDWCVFMN-IBGZPJMESA-N 0 0 485.982 4.878 20 0 JJADRN COc1ccc2c(CC(=O)N3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)coc2c1 ZINC001440168677 1065919460 /nfs/dbraw/zinc/91/94/60/1065919460.db2.gz FACBRRDIAAJYIF-LJQANCHMSA-N 0 0 456.583 4.918 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)C(F)(F)c3ccc(Cl)cc3)n2)C1 ZINC001440168608 1065919552 /nfs/dbraw/zinc/91/95/52/1065919552.db2.gz BCNQPZLKFSQKTO-ZDUSSCGKSA-N 0 0 452.889 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3cc(F)c(Cl)cc3Cl)n2)C1 ZINC001440170934 1065920245 /nfs/dbraw/zinc/92/02/45/1065920245.db2.gz HVWIUMSCKZJQRJ-LLVKDONJSA-N 0 0 455.317 4.899 20 0 JJADRN CC1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)cc2F)C1 ZINC001360808214 1065920731 /nfs/dbraw/zinc/92/07/31/1065920731.db2.gz KLACDOUZXYKKET-UHFFFAOYSA-N 0 0 461.994 4.737 20 0 JJADRN Cc1c(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1 ZINC001440172799 1065920770 /nfs/dbraw/zinc/92/07/70/1065920770.db2.gz SDFKANRGHIRHHS-HXUWFJFHSA-N 0 0 452.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2cc(F)cc3ccncc32)CC1 ZINC001440182087 1065922040 /nfs/dbraw/zinc/92/20/40/1065922040.db2.gz NRBZHPBTBZNKMN-UHFFFAOYSA-N 0 0 455.452 4.778 20 0 JJADRN CC[C@H]1CCC[C@@H](NC(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001360809360 1065921977 /nfs/dbraw/zinc/92/19/77/1065921977.db2.gz GBBUSUHWJXVSOZ-XHDPSFHLSA-N 0 0 450.158 4.681 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001440185074 1065922581 /nfs/dbraw/zinc/92/25/81/1065922581.db2.gz QBHPGKYYXBKVJP-LJQANCHMSA-N 0 0 452.436 4.907 20 0 JJADRN Cc1sc(NC(=O)c2ccc(Br)cc2Br)nc1Br ZINC001440184855 1065922610 /nfs/dbraw/zinc/92/26/10/1065922610.db2.gz ZEVROVARXYSTSK-UHFFFAOYSA-N 0 0 454.969 4.991 20 0 JJADRN CC[C@@H]1CCC[C@H](NC(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001360809357 1065923090 /nfs/dbraw/zinc/92/30/90/1065923090.db2.gz GBBUSUHWJXVSOZ-ABAIWWIYSA-N 0 0 450.158 4.681 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001440200278 1065923469 /nfs/dbraw/zinc/92/34/69/1065923469.db2.gz DOUISESVRZCOMR-LJQANCHMSA-N 0 0 456.388 4.791 20 0 JJADRN COC(=O)CCN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC001360810186 1065923873 /nfs/dbraw/zinc/92/38/73/1065923873.db2.gz OGYRGTGSOLZPPK-UHFFFAOYSA-N 0 0 456.514 4.723 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N(CCC(=O)OC)c3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001360810782 1065924351 /nfs/dbraw/zinc/92/43/51/1065924351.db2.gz YOFVPWKBINUGTL-OAQYLSRUSA-N 0 0 454.325 4.636 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1)NC(=O)OC(C)(C)C ZINC001360810845 1065924363 /nfs/dbraw/zinc/92/43/63/1065924363.db2.gz YFBAFCDVOITUJE-QGZVFWFLSA-N 0 0 451.995 4.748 20 0 JJADRN CN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001360813605 1065926309 /nfs/dbraw/zinc/92/63/09/1065926309.db2.gz VOOXPBWEJWENRS-PKTZIBPZSA-N 0 0 456.995 4.983 20 0 JJADRN COC(=O)C[C@@H]1CSCCN1C(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001360813465 1065926326 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OCPNYOABKFLFRN-KRWDZBQOSA-N 0 0 456.995 4.590 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CCN(Cc2cccs2)CC1 ZINC001440615475 1065954708 /nfs/dbraw/zinc/95/47/08/1065954708.db2.gz ROSJTZATOHWNBL-UHFFFAOYSA-N 0 0 451.539 4.772 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(C3CCC3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001360847072 1065954987 /nfs/dbraw/zinc/95/49/87/1065954987.db2.gz CEAQLABASQFSKR-UHFFFAOYSA-N 0 0 491.583 4.786 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001440618759 1065955155 /nfs/dbraw/zinc/95/51/55/1065955155.db2.gz PIOAQZFDBMASBC-UHFFFAOYSA-N 0 0 452.546 4.607 20 0 JJADRN COc1ccc(CN2CCN(C(=O)C3(c4c(Cl)cccc4Cl)CCC3)CC2)cc1F ZINC001440621955 1065955411 /nfs/dbraw/zinc/95/54/11/1065955411.db2.gz GETKHMFTTSRMNV-UHFFFAOYSA-N 0 0 451.369 4.907 20 0 JJADRN COc1ccc(CN2CCN(C(=O)c3cccc(COc4cccc(F)c4)c3)CC2)cc1F ZINC001440628538 1065955662 /nfs/dbraw/zinc/95/56/62/1065955662.db2.gz SLTWQTHSUUQIJX-UHFFFAOYSA-N 0 0 452.501 4.510 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccc3F)n2CC[C@H]2CCCCO2)CC1 ZINC001360847319 1065955513 /nfs/dbraw/zinc/95/55/13/1065955513.db2.gz KKFYYYMZYNVJHB-LJQANCHMSA-N 0 0 487.620 4.927 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccc3F)n2C[C@]2(C)CCCO2)CC1 ZINC001360847587 1065955962 /nfs/dbraw/zinc/95/59/62/1065955962.db2.gz SJDSQLFQSZDCLK-VWLOTQADSA-N 0 0 473.593 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)n[nH]2)C1 ZINC001440635917 1065956059 /nfs/dbraw/zinc/95/60/59/1065956059.db2.gz HDJUHTZQXJKREM-GOSISDBHSA-N 0 0 453.587 4.767 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cc2)CC1 ZINC001360847769 1065956604 /nfs/dbraw/zinc/95/66/04/1065956604.db2.gz YRXJWLFJRBFWKA-FQEVSTJZSA-N 0 0 473.593 4.591 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001360847820 1065956802 /nfs/dbraw/zinc/95/68/02/1065956802.db2.gz ZTHWKYGMAWBIHX-PKOBYXMFSA-N 0 0 477.650 4.952 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001360847818 1065956880 /nfs/dbraw/zinc/95/68/80/1065956880.db2.gz ZTHWKYGMAWBIHX-IEBWSBKVSA-N 0 0 477.650 4.952 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC001360848633 1065957049 /nfs/dbraw/zinc/95/70/49/1065957049.db2.gz AGBPYDSMBZNBAZ-AHIWAGSCSA-N 0 0 469.449 4.622 20 0 JJADRN Cc1sc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2Cc3ccccc3[C@H]2C)c1Br ZINC001360848712 1065957351 /nfs/dbraw/zinc/95/73/51/1065957351.db2.gz CHFJMOXVBHIBGK-CYBMUJFWSA-N 0 0 488.455 4.987 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3ccccc3)nnc2N(C)Cc2cnccn2)c1Br ZINC001360848732 1065957406 /nfs/dbraw/zinc/95/74/06/1065957406.db2.gz CNHXQTJSGQBZPU-UHFFFAOYSA-N 0 0 469.412 4.861 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1 ZINC001440643848 1065957583 /nfs/dbraw/zinc/95/75/83/1065957583.db2.gz AFJXVVCXQFCQDJ-YFJHUXEUSA-N 0 0 480.605 4.892 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1C ZINC001440644556 1065957614 /nfs/dbraw/zinc/95/76/14/1065957614.db2.gz MKYZCVLHLSNXEW-UHFFFAOYSA-N 0 0 457.983 4.712 20 0 JJADRN COc1ccc(F)cc1CN1CCN(C(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)CC1 ZINC001440645831 1065957970 /nfs/dbraw/zinc/95/79/70/1065957970.db2.gz PNVUNPOPGNDCFB-UHFFFAOYSA-N 0 0 457.546 4.672 20 0 JJADRN C[C@]1(Br)C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648618 1065958386 /nfs/dbraw/zinc/95/83/86/1065958386.db2.gz CTOCCIHYXFILBO-UZLBHIALSA-N 0 0 453.833 4.886 20 0 JJADRN COc1ccc(C)cc1CN1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC001440649662 1065958452 /nfs/dbraw/zinc/95/84/52/1065958452.db2.gz FSAOBVFRZCKDNX-UHFFFAOYSA-N 0 0 453.380 4.877 20 0 JJADRN COC(=O)c1cc(C)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)o1 ZINC001440650544 1065958542 /nfs/dbraw/zinc/95/85/42/1065958542.db2.gz IVWHSLJFGDIKNY-UHFFFAOYSA-N 0 0 458.967 4.715 20 0 JJADRN COc1ccc(CC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1O ZINC001440649860 1065958678 /nfs/dbraw/zinc/95/86/78/1065958678.db2.gz GZPDGWGPPFAKOM-UHFFFAOYSA-N 0 0 456.995 4.670 20 0 JJADRN Cc1sc(C)c(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)CC(N)=O)c1Br ZINC001360849342 1065959091 /nfs/dbraw/zinc/95/90/91/1065959091.db2.gz RGAGNFLEHMLUEV-NSHDSACASA-N 0 0 496.862 4.788 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1 ZINC001440650825 1065959123 /nfs/dbraw/zinc/95/91/23/1065959123.db2.gz GXDDICVKKUVYHF-HNNXBMFYSA-N 0 0 456.543 4.523 20 0 JJADRN O=C(C=C(c1ccc(Cl)cc1)C(F)(F)F)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC001440657026 1065959535 /nfs/dbraw/zinc/95/95/35/1065959535.db2.gz DEJQHBBTSIHLJM-ZROIWOOFSA-N 0 0 453.873 4.706 20 0 JJADRN CCC[C@H](C)N(C(=O)CC1(NC(=O)OC(C)(C)C)CC1)c1nc(C)c(C(=O)OCC)s1 ZINC001360849793 1065959790 /nfs/dbraw/zinc/95/97/90/1065959790.db2.gz KEWNOTYULFKYGI-AWEZNQCLSA-N 0 0 453.605 4.597 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001440658505 1065959880 /nfs/dbraw/zinc/95/98/80/1065959880.db2.gz LKWAFJPHNHPQFG-FQEVSTJZSA-N 0 0 455.555 4.775 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCS[C@@H](C)C2)c1Br ZINC001360849675 1065959933 /nfs/dbraw/zinc/95/99/33/1065959933.db2.gz WRUDFCHLBFIZLI-LRDDRELGSA-N 0 0 471.490 4.951 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001360850320 1065960792 /nfs/dbraw/zinc/96/07/92/1065960792.db2.gz ZVEMPZCZGHRBDX-UHFFFAOYSA-N 0 0 451.567 4.961 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2CCCCn2cc(Br)cn2)CC1 ZINC001360850647 1065961412 /nfs/dbraw/zinc/96/14/12/1065961412.db2.gz KTAQDVZUFVIAJA-UHFFFAOYSA-N 0 0 486.256 4.720 20 0 JJADRN Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H]2c2nncn2C)c1Br ZINC001360850682 1065961451 /nfs/dbraw/zinc/96/14/51/1065961451.db2.gz MAPRXLKHXGFMDF-MRXNPFEDSA-N 0 0 492.491 4.826 20 0 JJADRN Cc1sc(C)c(Cn2c(N3CCN(CC(C)C)C(=O)[C@@H]3C)nnc2C(C)(C)C)c1Br ZINC001360850689 1065961524 /nfs/dbraw/zinc/96/15/24/1065961524.db2.gz MHYOQBRXBFJQNU-AWEZNQCLSA-N 0 0 496.519 4.758 20 0 JJADRN Cc1sc(C)c(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C)CC2)c1Br ZINC001360850749 1065961892 /nfs/dbraw/zinc/96/18/92/1065961892.db2.gz OSDLVYWYSPGKAS-CJNGLKHVSA-N 0 0 453.450 4.898 20 0 JJADRN Cc1sc(C)c(Cn2c(Cc3cccnc3)nnc2N2CCS[C@H](C)C2)c1Br ZINC001360850901 1065962867 /nfs/dbraw/zinc/96/28/67/1065962867.db2.gz UFGXCWWHXIGOHC-CYBMUJFWSA-N 0 0 478.485 4.695 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001440676342 1065963180 /nfs/dbraw/zinc/96/31/80/1065963180.db2.gz ZHYFTMGDIZEUGP-MRXNPFEDSA-N 0 0 452.555 4.715 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)=C(Br)C2)cc1 ZINC001360851059 1065963236 /nfs/dbraw/zinc/96/32/36/1065963236.db2.gz ZNCRDYLVIDQQQX-SFHVURJKSA-N 0 0 495.425 4.917 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001360851095 1065963273 /nfs/dbraw/zinc/96/32/73/1065963273.db2.gz AOIXQDJDKSNPNL-UHFFFAOYSA-N 0 0 486.414 4.875 20 0 JJADRN Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N(C)CCn2cccn2)c1Br ZINC001360851069 1065963304 /nfs/dbraw/zinc/96/33/04/1065963304.db2.gz ZUPVMRNMUVHVRZ-UHFFFAOYSA-N 0 0 465.465 4.689 20 0 JJADRN C[C@@H](OCCCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 ZINC001440679258 1065964365 /nfs/dbraw/zinc/96/43/65/1065964365.db2.gz GATPTYZZUZMXGW-HXUWFJFHSA-N 0 0 458.624 4.538 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C)=C(Br)C2)s1 ZINC001360851455 1065964739 /nfs/dbraw/zinc/96/47/39/1065964739.db2.gz KYJUBPZWBXKPOT-UHFFFAOYSA-N 0 0 465.808 4.686 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001360851688 1065965477 /nfs/dbraw/zinc/96/54/77/1065965477.db2.gz PIQUSVFBHQFLQA-INIZCTEOSA-N 0 0 466.811 4.832 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCC(C)C)CC1 ZINC001360851671 1065965536 /nfs/dbraw/zinc/96/55/36/1065965536.db2.gz PCLKPPCXAIPUJY-UHFFFAOYSA-N 0 0 477.403 4.616 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360851870 1065966349 /nfs/dbraw/zinc/96/63/49/1065966349.db2.gz TVQIIOLTMDOVGT-ZIAGYGMSSA-N 0 0 499.251 4.730 20 0 JJADRN Cc1cc(N2CCN(C(=O)/C=C/c3ccccc3OCc3ccccc3)CC2)nc(C(C)C)n1 ZINC001440687113 1065966854 /nfs/dbraw/zinc/96/68/54/1065966854.db2.gz NMXPGOONZFGZAK-BUHFOSPRSA-N 0 0 456.590 4.849 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001360852030 1065966954 /nfs/dbraw/zinc/96/69/54/1065966954.db2.gz VTSCQNRWLHTMAH-QGZVFWFLSA-N 0 0 494.231 4.932 20 0 JJADRN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC001440704712 1065967716 /nfs/dbraw/zinc/96/77/16/1065967716.db2.gz MFNQOPBZNVCMJW-INIZCTEOSA-N 0 0 456.336 4.926 20 0 JJADRN Cc1c(F)cccc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC001360852301 1065968021 /nfs/dbraw/zinc/96/80/21/1065968021.db2.gz UTUHLRXRVRSFHA-UHFFFAOYSA-N 0 0 452.511 4.677 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC001440702367 1065968019 /nfs/dbraw/zinc/96/80/19/1065968019.db2.gz CPWKGZZCVACVAW-CZTZKLFOSA-N 0 0 456.608 4.975 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001440705169 1065968053 /nfs/dbraw/zinc/96/80/53/1065968053.db2.gz UQPFRBBWUPZXQP-FQEVSTJZSA-N 0 0 456.539 4.842 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001360853030 1065968386 /nfs/dbraw/zinc/96/83/86/1065968386.db2.gz ALBLQCWKFLWGLC-JKSUJKDBSA-N 0 0 481.822 4.782 20 0 JJADRN CC1=C(Br)CN(c2nnc(C3CCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001360853272 1065968889 /nfs/dbraw/zinc/96/88/89/1065968889.db2.gz INMWWKBSEUTCSY-UHFFFAOYSA-N 0 0 473.419 4.566 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001440709774 1065968988 /nfs/dbraw/zinc/96/89/88/1065968988.db2.gz YYMGTKGTFGCIBI-SVFBPWRDSA-N 0 0 456.608 4.893 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001440709769 1065969051 /nfs/dbraw/zinc/96/90/51/1065969051.db2.gz YYMGTKGTFGCIBI-SFHLNBCPSA-N 0 0 456.608 4.893 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001440709767 1065969189 /nfs/dbraw/zinc/96/91/89/1065969189.db2.gz YYMGTKGTFGCIBI-QKNQBKEWSA-N 0 0 456.608 4.893 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(F)(F)F)CC1 ZINC001360853352 1065969325 /nfs/dbraw/zinc/96/93/25/1065969325.db2.gz BJXZCZYJDHWXSN-UHFFFAOYSA-N 0 0 483.336 4.738 20 0 JJADRN CCOc1ccc([C@H](CNC(=O)c2c(C)[nH]nc2Cl)c2c[nH]c3ccccc32)cc1OC ZINC001440712801 1065969896 /nfs/dbraw/zinc/96/98/96/1065969896.db2.gz UBCIWOJODLGSKN-KRWDZBQOSA-N 0 0 452.942 4.822 20 0 JJADRN Cc1nccn1CCCn1c(CCCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360853610 1065970263 /nfs/dbraw/zinc/97/02/63/1065970263.db2.gz IIBKYQKDDLQKOX-UHFFFAOYSA-N 0 0 483.458 4.928 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001360853563 1065970381 /nfs/dbraw/zinc/97/03/81/1065970381.db2.gz HCDIDMIUCIOQOJ-WIYYLYMNSA-N 0 0 474.447 4.738 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(F)c2F)CC1 ZINC001360853652 1065970603 /nfs/dbraw/zinc/97/06/03/1065970603.db2.gz MTAUWLDUCAHKOR-MRXNPFEDSA-N 0 0 467.358 4.572 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2CCCOCC2CCOCC2)CC1 ZINC001360853775 1065970637 /nfs/dbraw/zinc/97/06/37/1065970637.db2.gz JXJASSZDCCZIGS-UHFFFAOYSA-N 0 0 495.487 4.643 20 0 JJADRN Cc1ccc(NC(=O)c2cccc3nsnc32)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440731057 1065971566 /nfs/dbraw/zinc/97/15/66/1065971566.db2.gz AJAQXRZLLDLBQI-UHFFFAOYSA-N 0 0 458.952 4.706 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)CC1 ZINC001360853908 1065971528 /nfs/dbraw/zinc/97/15/28/1065971528.db2.gz QBQREOUSFKYXGG-GOSISDBHSA-N 0 0 498.466 4.512 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)Br)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440733332 1065971909 /nfs/dbraw/zinc/97/19/09/1065971909.db2.gz KLASSGPPTAXJPS-SCLBCKFNSA-N 0 0 457.777 4.561 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCc3ccccc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360853950 1065972207 /nfs/dbraw/zinc/97/22/07/1065972207.db2.gz NHLBKUQUWKXWSQ-HXUWFJFHSA-N 0 0 459.432 4.757 20 0 JJADRN Cc1ccc(NC(=O)c2c3cn[nH]c3ccc2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440734267 1065972121 /nfs/dbraw/zinc/97/21/21/1065972121.db2.gz NXGDHAWIAPRGNG-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3cccnc3)n2Cc2cccc(Cl)c2)CC1 ZINC001360854136 1065972581 /nfs/dbraw/zinc/97/25/81/1065972581.db2.gz QAZOATLEXFUSNV-UHFFFAOYSA-N 0 0 458.791 4.845 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2CC2(O)CCCCC2)CC1 ZINC001360854155 1065972599 /nfs/dbraw/zinc/97/25/99/1065972599.db2.gz RARFAJUHBRAXBM-UHFFFAOYSA-N 0 0 451.434 4.505 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CC1 ZINC001360854211 1065972624 /nfs/dbraw/zinc/97/26/24/1065972624.db2.gz SRCSISFLFZZQBQ-UHFFFAOYSA-N 0 0 473.419 4.501 20 0 JJADRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001440735926 1065972884 /nfs/dbraw/zinc/97/28/84/1065972884.db2.gz UDOPHOBMZRDBGH-QGZVFWFLSA-N 0 0 459.871 4.581 20 0 JJADRN Cc1ccc(NC(=O)c2c(C3CCC3)cnn2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440736159 1065973184 /nfs/dbraw/zinc/97/31/84/1065973184.db2.gz VJWVQWKIDYBQGQ-UHFFFAOYSA-N 0 0 458.971 4.703 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N(C[C@H]3CCOC3)C3CC3)cs2)cc1 ZINC001440736609 1065973192 /nfs/dbraw/zinc/97/31/92/1065973192.db2.gz DTDUCIHCDILGEU-QGZVFWFLSA-N 0 0 457.596 4.722 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC001360854252 1065973222 /nfs/dbraw/zinc/97/32/22/1065973222.db2.gz SWUVQBZSYQQXGI-UHFFFAOYSA-N 0 0 487.446 4.688 20 0 JJADRN Cc1cnn(CCn2c(CCCc3ccccc3)nnc2N2CCC(C)=C(Br)C2)c1 ZINC001360854418 1065973644 /nfs/dbraw/zinc/97/36/44/1065973644.db2.gz WHKIJABWDVJRCD-UHFFFAOYSA-N 0 0 469.431 4.538 20 0 JJADRN COc1ccc(NC(=O)c2cc(Br)c3nccnc3c2)cc1OCC(F)(F)F ZINC001440738450 1065973550 /nfs/dbraw/zinc/97/35/50/1065973550.db2.gz MGOPCWPVTWEUSU-UHFFFAOYSA-N 0 0 456.218 4.594 20 0 JJADRN C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001440740005 1065973965 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GDKBINHVKWHPNW-HNAYVOBHSA-N 0 0 465.367 4.615 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC001440750378 1065976014 /nfs/dbraw/zinc/97/60/14/1065976014.db2.gz CHVGLAOUIWAXLO-PMOQBDJRSA-N 0 0 452.599 4.506 20 0 JJADRN O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(C(F)(F)F)cc1 ZINC001440749242 1065976030 /nfs/dbraw/zinc/97/60/30/1065976030.db2.gz YLTLNTGZTACVQX-UHFFFAOYSA-N 0 0 454.448 4.860 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360857823 1065976175 /nfs/dbraw/zinc/97/61/75/1065976175.db2.gz NVGCKLYSXAGLPS-SJORKVTESA-N 0 0 479.394 4.690 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360857820 1065976186 /nfs/dbraw/zinc/97/61/86/1065976186.db2.gz NVGCKLYSXAGLPS-DLBZAZTESA-N 0 0 479.394 4.690 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC001440753075 1065976575 /nfs/dbraw/zinc/97/65/75/1065976575.db2.gz HVABMBKWANDHHO-UHFFFAOYSA-N 0 0 456.539 4.794 20 0 JJADRN Cc1[nH]c2c(cccc2C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c1C ZINC001440755077 1065976623 /nfs/dbraw/zinc/97/66/23/1065976623.db2.gz WFAUKCPSDAESBW-UHFFFAOYSA-N 0 0 452.507 4.968 20 0 JJADRN Cc1ccc(NC(=O)c2cc(F)c[nH]2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC001440755749 1065976909 /nfs/dbraw/zinc/97/69/09/1065976909.db2.gz RMYQUSYNFQGIBC-UHFFFAOYSA-N 0 0 455.483 4.830 20 0 JJADRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(I)ccc1O ZINC001440756730 1065977082 /nfs/dbraw/zinc/97/70/82/1065977082.db2.gz VRGCOKXELUICJP-UHFFFAOYSA-N 0 0 451.260 4.681 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360858148 1065977321 /nfs/dbraw/zinc/97/73/21/1065977321.db2.gz AILUXXGBKBKDRF-LJQANCHMSA-N 0 0 455.990 4.802 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)F)c2)CC1 ZINC001360858062 1065977436 /nfs/dbraw/zinc/97/74/36/1065977436.db2.gz XJQYAIYJYKLQBT-QGZVFWFLSA-N 0 0 453.331 4.995 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)NCC2(c3ccccc3)CCCCC2)cc(C(F)(F)F)c1 ZINC001440768589 1065977885 /nfs/dbraw/zinc/97/78/85/1065977885.db2.gz KARXAFZSMFYSQC-UHFFFAOYSA-N 0 0 454.514 4.709 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(C)(C)C ZINC001360858715 1065978280 /nfs/dbraw/zinc/97/82/80/1065978280.db2.gz TXRWSBULAXHWDY-SFHVURJKSA-N 0 0 471.577 4.761 20 0 JJADRN CCCc1ccccc1NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 ZINC001440772513 1065978304 /nfs/dbraw/zinc/97/83/04/1065978304.db2.gz FRXYLZOANJVURV-QHCPKHFHSA-N 0 0 456.633 4.831 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001440789937 1065979352 /nfs/dbraw/zinc/97/93/52/1065979352.db2.gz OUWHPNBDPCURJX-UHFFFAOYSA-N 0 0 452.461 4.578 20 0 JJADRN CCCN(CC)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001440792438 1065979445 /nfs/dbraw/zinc/97/94/45/1065979445.db2.gz BOHZNJDPGCPFLU-WINIVTDRSA-N 0 0 450.579 4.673 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)c1 ZINC001440799598 1065979813 /nfs/dbraw/zinc/97/98/13/1065979813.db2.gz XDCYIGGREBUOSM-UHFFFAOYSA-N 0 0 458.543 4.814 20 0 JJADRN C[C@@H](NC(=O)c1ccc2[nH]cc(I)c2c1)c1ccccc1OC(F)F ZINC001440797539 1065979891 /nfs/dbraw/zinc/97/98/91/1065979891.db2.gz NPJSVRZHVQRQMO-SNVBAGLBSA-N 0 0 456.230 4.865 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2ccc3c(n2)CCCC3)c1C ZINC001360862192 1065979914 /nfs/dbraw/zinc/97/99/14/1065979914.db2.gz IGDYHDOLEUXOAI-UHFFFAOYSA-N 0 0 460.626 4.589 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCCCO)c1C ZINC001360862156 1065979983 /nfs/dbraw/zinc/97/99/83/1065979983.db2.gz HBHTYXZGWWWXBJ-GOSISDBHSA-N 0 0 495.693 4.986 20 0 JJADRN CCCN(CC)C(=O)[C@@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001440794366 1065980022 /nfs/dbraw/zinc/98/00/22/1065980022.db2.gz GPJNDKDIGASREJ-XMMPIXPASA-N 0 0 452.595 4.967 20 0 JJADRN COc1cccc([C@@H]2CCCN2C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001440797896 1065980082 /nfs/dbraw/zinc/98/00/82/1065980082.db2.gz XGZSKRRYEJYDHN-DEOSSOPVSA-N 0 0 450.579 4.895 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)cn3C)n2CC2(C)CCC2)c1C ZINC001360862288 1065980232 /nfs/dbraw/zinc/98/02/32/1065980232.db2.gz LPWWAURGRXKSEB-UHFFFAOYSA-N 0 0 499.457 4.928 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCC2(C)C)c1C ZINC001360862245 1065980246 /nfs/dbraw/zinc/98/02/46/1065980246.db2.gz KGCOWNDWNJDDNK-SKCUWOTOSA-N 0 0 497.684 4.837 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCC2(C)C)c1C ZINC001360862244 1065980362 /nfs/dbraw/zinc/98/03/62/1065980362.db2.gz KGCOWNDWNJDDNK-RBISFHTESA-N 0 0 497.684 4.837 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cs1 ZINC001440818840 1065980733 /nfs/dbraw/zinc/98/07/33/1065980733.db2.gz OOZIVSYRAZQNLB-RDTXWAMCSA-N 0 0 455.584 4.593 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 ZINC001360862381 1065980786 /nfs/dbraw/zinc/98/07/86/1065980786.db2.gz OLYHQWGMDTTYNT-WOIUINJBSA-N 0 0 483.613 4.709 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCSC2(C)C)c1C ZINC001360862789 1065981511 /nfs/dbraw/zinc/98/15/11/1065981511.db2.gz WPXJTTKJFPCRTJ-FQEVSTJZSA-N 0 0 464.639 4.564 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C2CC2)cc1 ZINC001440821609 1065981588 /nfs/dbraw/zinc/98/15/88/1065981588.db2.gz DRKMAOJNOGOFGR-QHCPKHFHSA-N 0 0 456.514 4.955 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)C(C)C)ccc2C)cc1 ZINC001440824765 1065981865 /nfs/dbraw/zinc/98/18/65/1065981865.db2.gz LMRDGJNWBMSUOZ-XMMPIXPASA-N 0 0 452.576 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC001440822814 1065982014 /nfs/dbraw/zinc/98/20/14/1065982014.db2.gz WAOVRMGIWPYUQR-SFHVURJKSA-N 0 0 455.580 4.976 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 ZINC001440830003 1065982350 /nfs/dbraw/zinc/98/23/50/1065982350.db2.gz UPXLFRAHQKJNCZ-QFIPXVFZSA-N 0 0 450.410 4.865 20 0 JJADRN C[C@H](CC(=O)NCc1ccc(OCC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001440827330 1065982700 /nfs/dbraw/zinc/98/27/00/1065982700.db2.gz OXPKZIYNZDUOJY-MRXNPFEDSA-N 0 0 458.521 4.917 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001440834786 1065982939 /nfs/dbraw/zinc/98/29/39/1065982939.db2.gz QIPVFCDNYAHYLH-UHFFFAOYSA-N 0 0 450.464 4.871 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCCC2(F)F)c1C ZINC001360864827 1065982993 /nfs/dbraw/zinc/98/29/93/1065982993.db2.gz JPQGLBKEOLTBRG-OAQYLSRUSA-N 0 0 482.579 4.781 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N[C@H]3CCCc4[nH]c(=O)ccc43)cc21 ZINC001440850734 1065983584 /nfs/dbraw/zinc/98/35/84/1065983584.db2.gz HRJIEQLIMXDYEJ-AVRDEDQJSA-N 0 0 451.567 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N[C@@H]3CCCc4[nH]c(=O)ccc43)cc21 ZINC001440850745 1065983602 /nfs/dbraw/zinc/98/36/02/1065983602.db2.gz HRJIEQLIMXDYEJ-PGRDOPGGSA-N 0 0 451.567 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 ZINC001440839811 1065983613 /nfs/dbraw/zinc/98/36/13/1065983613.db2.gz DUVLRELHIKWQMC-FQEVSTJZSA-N 0 0 457.958 4.781 20 0 JJADRN O=C(CNC(=O)Cc1cccc2ccccc21)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001440860765 1065984112 /nfs/dbraw/zinc/98/41/12/1065984112.db2.gz DCELUSMYSQKZLH-UHFFFAOYSA-N 0 0 452.514 4.781 20 0 JJADRN CCCc1ccc([C@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c2cccs2)cc1 ZINC001440863326 1065984297 /nfs/dbraw/zinc/98/42/97/1065984297.db2.gz ATTGHMQVXLDCKN-VWLOTQADSA-N 0 0 459.571 4.991 20 0 JJADRN Cc1noc(C)c1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001360865499 1065984892 /nfs/dbraw/zinc/98/48/92/1065984892.db2.gz CPPJOPLVBQJYHX-NRFANRHFSA-N 0 0 477.613 4.675 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC2(c3ccccn3)CCC2)c1C ZINC001360865662 1065985075 /nfs/dbraw/zinc/98/50/75/1065985075.db2.gz GNWRAIACVQGXEC-JOCHJYFZSA-N 0 0 490.652 4.513 20 0 JJADRN 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JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CC(F)(F)CO2)c1C ZINC001360870490 1066002475 /nfs/dbraw/zinc/00/24/75/1066002475.db2.gz XLGLMLVPWUKZFW-CTNGQTDRSA-N 0 0 478.584 4.712 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)c1C ZINC001360870438 1066002490 /nfs/dbraw/zinc/00/24/90/1066002490.db2.gz PKIXHTOBJBXTEH-FQEVSTJZSA-N 0 0 486.682 4.795 20 0 JJADRN C[C@@H](C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccc1 ZINC001441034945 1066002756 /nfs/dbraw/zinc/00/27/56/1066002756.db2.gz CTHXYTPXLXWLSP-KRWDZBQOSA-N 0 0 458.425 4.885 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CCOCC(F)F)c1C ZINC001360870681 1066003391 /nfs/dbraw/zinc/00/33/91/1066003391.db2.gz PVAMQSPPOQWGLG-JZXOWHBKSA-N 0 0 454.587 4.647 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCc2ccc(Cl)s2)c1C ZINC001360870753 1066003414 /nfs/dbraw/zinc/00/34/14/1066003414.db2.gz QOPDHXVUPBYLHF-FUHWJXTLSA-N 0 0 488.057 4.659 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001441045445 1066003486 /nfs/dbraw/zinc/00/34/86/1066003486.db2.gz RINKOWIAMNXONZ-QFIPXVFZSA-N 0 0 450.457 4.592 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3nccs3)n2Cc2nccc(C(F)F)n2)c1C ZINC001360870816 1066003683 /nfs/dbraw/zinc/00/36/83/1066003683.db2.gz ZZIBBCXVFARARV-INIZCTEOSA-N 0 0 485.564 4.904 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CC=CCC3)n2CCNC(=O)c2ccco2)c1C ZINC001360870809 1066003866 /nfs/dbraw/zinc/00/38/66/1066003866.db2.gz ZTTJIBYPTMGESJ-YADHBBJMSA-N 0 0 477.609 4.850 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCc2ccc(Cl)s2)c1C ZINC001360870755 1066003880 /nfs/dbraw/zinc/00/38/80/1066003880.db2.gz QOPDHXVUPBYLHF-WMZOPIPTSA-N 0 0 488.057 4.659 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)OC3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)c1C ZINC001360870946 1066003903 /nfs/dbraw/zinc/00/39/03/1066003903.db2.gz REJHUTBTYZSIST-FQEVSTJZSA-N 0 0 490.670 4.703 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)=NN1c1ccccc1 ZINC001441048506 1066003997 /nfs/dbraw/zinc/00/39/97/1066003997.db2.gz MADOJVZFOAGVNX-FGZHOGPDSA-N 0 0 453.970 4.980 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001441048449 1066004017 /nfs/dbraw/zinc/00/40/17/1066004017.db2.gz LSTGJWJHQFZPFS-QHCPKHFHSA-N 0 0 457.534 4.933 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)C)c1C ZINC001360871000 1066004196 /nfs/dbraw/zinc/00/41/96/1066004196.db2.gz SJOXTEUPOKIVGW-GHTZIAJQSA-N 0 0 455.647 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360870984 1066004274 /nfs/dbraw/zinc/00/42/74/1066004274.db2.gz RWUOZYGUYAQQHM-TXTKFYIRSA-N 0 0 469.674 4.628 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OCC ZINC001441052283 1066004309 /nfs/dbraw/zinc/00/43/09/1066004309.db2.gz VLWCDORIJUKYGX-UHFFFAOYSA-N 0 0 458.518 4.820 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001441050524 1066004402 /nfs/dbraw/zinc/00/44/02/1066004402.db2.gz NYJGXEHQTMEFBZ-QGZVFWFLSA-N 0 0 451.901 4.643 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[C@@H]43)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871109 1066004577 /nfs/dbraw/zinc/00/45/77/1066004577.db2.gz UJEBINMMTCDWTN-AQNXPRMDSA-N 0 0 455.603 4.548 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871078 1066004592 /nfs/dbraw/zinc/00/45/92/1066004592.db2.gz TZMKLFKEMYGNDS-ICSRJNTNSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCn4cccc4[C@@H]3C)c2)cc1C ZINC001441054945 1066004809 /nfs/dbraw/zinc/00/48/09/1066004809.db2.gz OODUIHKQUMTEKI-KRWDZBQOSA-N 0 0 457.983 4.776 20 0 JJADRN CN(C)c1c(Cl)cccc1NC(=O)CCC(=O)c1ccc(I)cc1 ZINC001441056118 1066004960 /nfs/dbraw/zinc/00/49/60/1066004960.db2.gz DDNLQWSXVDLDHI-UHFFFAOYSA-N 0 0 456.711 4.612 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)c1C ZINC001360871485 1066005321 /nfs/dbraw/zinc/00/53/21/1066005321.db2.gz XPCZLDIZXHKBCE-JTHBVZDNSA-N 0 0 488.698 4.875 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)CCCCC2)cc1 ZINC001441061218 1066005328 /nfs/dbraw/zinc/00/53/28/1066005328.db2.gz BRZIHVFFTZXTAR-QHCPKHFHSA-N 0 0 453.671 4.557 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCNC(=O)c2cccs2)c1C ZINC001360871604 1066005533 /nfs/dbraw/zinc/00/55/33/1066005533.db2.gz YCUULVOEPIIBGX-NSHGMRRFSA-N 0 0 467.639 4.619 20 0 JJADRN CCOC(=O)COc1ccc(OC(=O)CSc2cc(C)c(Br)cc2C)cc1 ZINC001360871575 1066005539 /nfs/dbraw/zinc/00/55/39/1066005539.db2.gz RKVSAEJPDDMESI-UHFFFAOYSA-N 0 0 453.354 4.706 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCNC(=O)c2cccs2)c1C ZINC001360871605 1066005605 /nfs/dbraw/zinc/00/56/05/1066005605.db2.gz YCUULVOEPIIBGX-QWFCFKBJSA-N 0 0 467.639 4.619 20 0 JJADRN COc1ccc2ccccc2c1CNC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001441082255 1066006276 /nfs/dbraw/zinc/00/62/76/1066006276.db2.gz XRXCBESUSOOGHP-FQEVSTJZSA-N 0 0 451.523 4.838 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1S(=O)(=O)NC(C)(C)C ZINC001360872635 1066006361 /nfs/dbraw/zinc/00/63/61/1066006361.db2.gz WGQANWAZFICFPP-UHFFFAOYSA-N 0 0 459.612 4.617 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CC(C)(C)C(C)C)c1C ZINC001360872850 1066007110 /nfs/dbraw/zinc/00/71/10/1066007110.db2.gz BSSIFNJEEZVQHL-VXKWHMMOSA-N 0 0 467.658 4.918 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CC[C@H]2CCO[C@H](C)C2)c1C ZINC001360873008 1066008034 /nfs/dbraw/zinc/00/80/34/1066008034.db2.gz BFNYLTXRQNZYDC-PRTQVNTJSA-N 0 0 456.631 4.855 20 0 JJADRN C[C@@H](OCc1ccncc1)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441114658 1066008259 /nfs/dbraw/zinc/00/82/59/1066008259.db2.gz CTCHDYHSPRQRRC-GOSISDBHSA-N 0 0 456.011 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)CCC[C@H]12 ZINC001441118956 1066008795 /nfs/dbraw/zinc/00/87/95/1066008795.db2.gz WUVSWPQQCJYEBK-BXKMTCNYSA-N 0 0 456.612 4.982 20 0 JJADRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 ZINC001441116260 1066008864 /nfs/dbraw/zinc/00/88/64/1066008864.db2.gz HCNWMGPEMZKRMO-UHFFFAOYSA-N 0 0 459.546 4.901 20 0 JJADRN O=C(CCCOc1cccnc1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441118714 1066008896 /nfs/dbraw/zinc/00/88/96/1066008896.db2.gz NMAWHRZKDWQBIM-UHFFFAOYSA-N 0 0 456.011 4.967 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCCOC(F)F)c1C ZINC001360873524 1066009381 /nfs/dbraw/zinc/00/93/81/1066009381.db2.gz IIGIQDMSAQMLQS-PZJWPPBQSA-N 0 0 478.584 4.917 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(F)cc3F)ccc2C)c(C)c1 ZINC001441126553 1066009502 /nfs/dbraw/zinc/00/95/02/1066009502.db2.gz XRZKPFNAAGRNKN-UHFFFAOYSA-N 0 0 458.530 4.929 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)Cc3ccc(C)cc3)c2)cc1 ZINC001441124769 1066009605 /nfs/dbraw/zinc/00/96/05/1066009605.db2.gz RFVRDPVMXFOOQT-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC(C)C)c1C ZINC001360873538 1066009891 /nfs/dbraw/zinc/00/98/91/1066009891.db2.gz IPROWDUQRJAOKK-NRFANRHFSA-N 0 0 455.647 4.776 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873656 1066010236 /nfs/dbraw/zinc/01/02/36/1066010236.db2.gz HPGMYPWBCANUBZ-IBGZPJMESA-N 0 0 457.619 4.938 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360873657 1066010403 /nfs/dbraw/zinc/01/04/03/1066010403.db2.gz HPGMYPWBCANUBZ-LJQANCHMSA-N 0 0 457.619 4.938 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360874210 1066012236 /nfs/dbraw/zinc/01/22/36/1066012236.db2.gz KVICNIJUVKFQIB-UEVCKROQSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC2CCCCC2)c1C ZINC001360874218 1066012246 /nfs/dbraw/zinc/01/22/46/1066012246.db2.gz KXOZJFRWSBNGHZ-IFMALSPDSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC2CCCCC2)c1C ZINC001360874221 1066012753 /nfs/dbraw/zinc/01/27/53/1066012753.db2.gz KXOZJFRWSBNGHZ-UNMCSNQZSA-N 0 0 474.671 4.629 20 0 JJADRN COc1nsc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c1Br ZINC001441186673 1066013161 /nfs/dbraw/zinc/01/31/61/1066013161.db2.gz JXZSWMBKEVWDNJ-UHFFFAOYSA-N 0 0 456.362 4.533 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC4(CCOCC4)C3)n2C[C@](C)(O)C(C)C)c1C ZINC001360874412 1066013425 /nfs/dbraw/zinc/01/34/25/1066013425.db2.gz MLVDROGEQOHPSL-GJZUVCINSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1C ZINC001360874390 1066013503 /nfs/dbraw/zinc/01/35/03/1066013503.db2.gz MECCOZUSFNHMTQ-PZJWPPBQSA-N 0 0 499.656 4.517 20 0 JJADRN CCN(Cc1cccc(NC(=O)Cc2ccccc2O[C@H]2CCOC2)c1)C(=O)OC(C)(C)C ZINC001441188819 1066013649 /nfs/dbraw/zinc/01/36/49/1066013649.db2.gz QISHPDVZEMXHFA-QFIPXVFZSA-N 0 0 454.567 4.793 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C3)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360874485 1066013791 /nfs/dbraw/zinc/01/37/91/1066013791.db2.gz PRRIMFCCGHZLON-FXAWDEMLSA-N 0 0 457.619 4.796 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCOc2ncccc2F)c1C ZINC001360874440 1066013844 /nfs/dbraw/zinc/01/38/44/1066013844.db2.gz MWFNVVISDMWOJN-FXAWDEMLSA-N 0 0 453.562 4.884 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CCOC[C@H]2C)c1C ZINC001360874510 1066013893 /nfs/dbraw/zinc/01/38/93/1066013893.db2.gz QEMKCNBLIYIHKX-FYYLOGMGSA-N 0 0 499.700 4.540 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192212 1066014099 /nfs/dbraw/zinc/01/40/99/1066014099.db2.gz XKWXGZKEUHKVQF-HSZRJFAPSA-N 0 0 452.599 4.832 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360874516 1066013976 /nfs/dbraw/zinc/01/39/76/1066013976.db2.gz QHQGPAGUWQFBHF-SFGWALBWSA-N 0 0 463.626 4.573 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CCOC[C@@H]2C)c1C ZINC001360874513 1066014052 /nfs/dbraw/zinc/01/40/52/1066014052.db2.gz QEMKCNBLIYIHKX-JTHBVZDNSA-N 0 0 499.700 4.540 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCc4ccc(Cl)nc4C3)n2CCC(=O)NC(C)C)c1C ZINC001360874726 1066014948 /nfs/dbraw/zinc/01/49/48/1066014948.db2.gz OCKINIDZEKKLOC-IBGZPJMESA-N 0 0 497.043 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC001441204488 1066014999 /nfs/dbraw/zinc/01/49/99/1066014999.db2.gz NEJKPHQQGFQCRZ-LFPKGMGHSA-N 0 0 458.443 4.659 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360875097 1066016502 /nfs/dbraw/zinc/01/65/02/1066016502.db2.gz QCPKLULMLBDMSE-UNMCSNQZSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC3(C)C)n2CC[C@H](C(F)F)N2CCOCC2)c1C ZINC001360875074 1066016557 /nfs/dbraw/zinc/01/65/57/1066016557.db2.gz PTFOJNGZRZAEPJ-LEWJYISDSA-N 0 0 491.627 4.770 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2CCCO[C@@H]2CCOC2)c1C ZINC001360875119 1066016958 /nfs/dbraw/zinc/01/69/58/1066016958.db2.gz QLVIIALLWJVCHQ-ZLNRFVROSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCC(C)(F)F)c1C ZINC001360875538 1066018321 /nfs/dbraw/zinc/01/83/21/1066018321.db2.gz VDXJZXDFIIQUGA-IBGZPJMESA-N 0 0 475.584 4.529 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[C@@H]1CCCCO1 ZINC001545939602 1066018410 /nfs/dbraw/zinc/01/84/10/1066018410.db2.gz GGJCXQOWVUKXCU-NRFANRHFSA-N 0 0 477.719 4.802 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@]4(C3)CCCOC4)n2CCCOC(C)C)c1C ZINC001360875570 1066018569 /nfs/dbraw/zinc/01/85/69/1066018569.db2.gz VQPFVQHVAIQUOZ-GJZUVCINSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360875633 1066018644 /nfs/dbraw/zinc/01/86/44/1066018644.db2.gz WOPXYVDUNYEGBA-GOTSBHOMSA-N 0 0 477.653 4.963 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360875744 1066019037 /nfs/dbraw/zinc/01/90/37/1066019037.db2.gz YFHRAJHCHKWYSH-RTWAWAEBSA-N 0 0 465.598 4.742 20 0 JJADRN COc1ccc(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C ZINC001441240977 1066019253 /nfs/dbraw/zinc/01/92/53/1066019253.db2.gz KDLULZVGYIXYCY-KRWDZBQOSA-N 0 0 454.445 4.603 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC001360876017 1066019966 /nfs/dbraw/zinc/01/99/66/1066019966.db2.gz FOCUWTSJWCSJEA-QGZVFWFLSA-N 0 0 453.530 4.601 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CC(C)(C)N2CCOCC2)c1C ZINC001360875837 1066020123 /nfs/dbraw/zinc/02/01/23/1066020123.db2.gz ZOCAAKYJNWBXSJ-QHCPKHFHSA-N 0 0 469.674 4.916 20 0 JJADRN CC[C@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001360875901 1066020244 /nfs/dbraw/zinc/02/02/44/1066020244.db2.gz AYPBFLBECBGOFL-SWLSCSKDSA-N 0 0 459.490 4.857 20 0 JJADRN C[C@@H](c1ccccc1F)[C@H](O)C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246082 1066020335 /nfs/dbraw/zinc/02/03/35/1066020335.db2.gz HTMGHNVRMUFXOK-XDHUDOTRSA-N 0 0 456.558 4.502 20 0 JJADRN COC(=O)c1cc(CNC(=O)c2cccc(OCc3ccccc3Br)c2)oc1C ZINC001441251609 1066020801 /nfs/dbraw/zinc/02/08/01/1066020801.db2.gz CWKWDIRVPICWCC-UHFFFAOYSA-N 0 0 458.308 4.646 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCOC(C)C)c1C ZINC001360876705 1066021116 /nfs/dbraw/zinc/02/11/16/1066021116.db2.gz AAZYXNNINMNNOF-NRFANRHFSA-N 0 0 499.059 4.835 20 0 JJADRN COc1ccc(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)cc1OCc1cccnc1 ZINC001441280653 1066022338 /nfs/dbraw/zinc/02/23/38/1066022338.db2.gz QLGODEQRRMARSQ-UHFFFAOYSA-N 0 0 453.495 4.539 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2nc(C(C)(C)C)cs2)c1C ZINC001360877322 1066022498 /nfs/dbraw/zinc/02/24/98/1066022498.db2.gz KHLRKHULPLKFKH-OALUTQOASA-N 0 0 496.681 4.539 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC2CCOCC2)c1C ZINC001360877404 1066023075 /nfs/dbraw/zinc/02/30/75/1066023075.db2.gz LADJZZCDDUVGGB-ICSRJNTNSA-N 0 0 495.590 4.534 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@]2(C)CCCO2)c1C ZINC001360877358 1066023140 /nfs/dbraw/zinc/02/31/40/1066023140.db2.gz KLVNPENFCGQYAJ-MFSJNOQSSA-N 0 0 495.590 4.677 20 0 JJADRN CSc1nnc(CCCNC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n1CC(C)C ZINC001441294757 1066023363 /nfs/dbraw/zinc/02/33/63/1066023363.db2.gz WCCCQFLSZKWGLV-UHFFFAOYSA-N 0 0 453.534 4.529 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)Cc2scnc2-c2ccccc2)cc1Cl ZINC001441300443 1066023826 /nfs/dbraw/zinc/02/38/26/1066023826.db2.gz SWUNFVVTPJBSSO-UHFFFAOYSA-N 0 0 457.983 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 ZINC001441309947 1066024294 /nfs/dbraw/zinc/02/42/94/1066024294.db2.gz LRAZPGSEKTZKFC-QIJUGHKUSA-N 0 0 457.615 4.978 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc1Br ZINC001441309474 1066024406 /nfs/dbraw/zinc/02/44/06/1066024406.db2.gz KNVYBJLPIFMVGU-YOEHRIQHSA-N 0 0 457.409 4.917 20 0 JJADRN Cc1cc(C)n(-c2cccc(NC(=O)c3cn(-c4ccc(Br)cc4)nc3C)c2)n1 ZINC001441312807 1066025086 /nfs/dbraw/zinc/02/50/86/1066025086.db2.gz PXWFOIZLQCJCBM-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001545940121 1066025373 /nfs/dbraw/zinc/02/53/73/1066025373.db2.gz SBLDFCSKIRTBRK-YYWHXJBOSA-N 0 0 459.635 4.786 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC001360878332 1066025381 /nfs/dbraw/zinc/02/53/81/1066025381.db2.gz VRIKBRDXMWWTAJ-FQEVSTJZSA-N 0 0 453.004 4.767 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC001441314145 1066025653 /nfs/dbraw/zinc/02/56/53/1066025653.db2.gz RTPYMEKMQRKUOE-VNTMZGSJSA-N 0 0 457.615 4.779 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878491 1066025888 /nfs/dbraw/zinc/02/58/88/1066025888.db2.gz VSXXTVOKBLARQP-RTWAWAEBSA-N 0 0 483.682 4.751 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2(CC(C)C)CC2)c1C ZINC001360878436 1066025907 /nfs/dbraw/zinc/02/59/07/1066025907.db2.gz VFIZGOFLARWWBX-SFTDATJTSA-N 0 0 453.631 4.563 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CC(C)(C)c3ccc(F)cc3)cc2)CC1 ZINC001360878423 1066025932 /nfs/dbraw/zinc/02/59/32/1066025932.db2.gz XOISJKAZSWSCJZ-UHFFFAOYSA-N 0 0 454.542 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1ccc(C)cc1OCC1CC1 ZINC001545940201 1066026929 /nfs/dbraw/zinc/02/69/29/1066026929.db2.gz UHGOPLRWYRYEHW-MOPGFXCFSA-N 0 0 485.698 4.672 20 0 JJADRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001441319789 1066027238 /nfs/dbraw/zinc/02/72/38/1066027238.db2.gz ZOJLGPKCUZEAFM-GASCZTMLSA-N 0 0 458.584 4.861 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC[C@H]3C)n2CCn2cc(Cl)cn2)c1C ZINC001360878869 1066027711 /nfs/dbraw/zinc/02/77/11/1066027711.db2.gz BOOAECMAHYWRRR-SJLPKXTDSA-N 0 0 461.035 4.527 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCSCC(C)C)c1C ZINC001360878913 1066027793 /nfs/dbraw/zinc/02/77/93/1066027793.db2.gz CAXOMFMGNUFQJF-QPPBQGQZSA-N 0 0 498.697 4.736 20 0 JJADRN Cc1cccc([C@@H](CNC(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)N2CCOCC2)c1 ZINC001441321694 1066027850 /nfs/dbraw/zinc/02/78/50/1066027850.db2.gz VVIORRIVJKOMHS-DMMSUNFISA-N 0 0 454.439 4.653 20 0 JJADRN CSc1ncc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1-c1ccc(F)cc1 ZINC001441325487 1066028548 /nfs/dbraw/zinc/02/85/48/1066028548.db2.gz HOVMSHKVIWQLJO-HXUWFJFHSA-N 0 0 458.990 4.954 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001441326310 1066028941 /nfs/dbraw/zinc/02/89/41/1066028941.db2.gz JCGQUOGIDTWHLZ-LESCRADOSA-N 0 0 455.393 4.816 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCN2CCCCC2=O)c1C ZINC001360879168 1066029619 /nfs/dbraw/zinc/02/96/19/1066029619.db2.gz HJWXTJCMZAWCFF-YPAWHYETSA-N 0 0 485.698 4.768 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360879349 1066029835 /nfs/dbraw/zinc/02/98/35/1066029835.db2.gz JTKYPNRSNTUNKY-RBISFHTESA-N 0 0 499.700 4.839 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cs1 ZINC001441342141 1066030880 /nfs/dbraw/zinc/03/08/80/1066030880.db2.gz KPSRWJRGRPEERY-UHFFFAOYSA-N 0 0 458.515 4.675 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC001441345351 1066031026 /nfs/dbraw/zinc/03/10/26/1066031026.db2.gz CYOWOXPBNQGWAR-UHFFFAOYSA-N 0 0 459.911 4.571 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1F ZINC001441347597 1066031474 /nfs/dbraw/zinc/03/14/74/1066031474.db2.gz MJXQOHHWWUXEHR-GHRIWEEISA-N 0 0 454.523 4.986 20 0 JJADRN Cc1c(Br)scc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001441349354 1066031681 /nfs/dbraw/zinc/03/16/81/1066031681.db2.gz QMQDETUKIMFLHF-UHFFFAOYSA-N 0 0 451.367 4.872 20 0 JJADRN CN(Cc1csc2ccccc12)C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441351863 1066031908 /nfs/dbraw/zinc/03/19/08/1066031908.db2.gz QCDBZRIITKVODL-IBGZPJMESA-N 0 0 454.596 4.942 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCc2nccs2)c1C ZINC001360880092 1066032374 /nfs/dbraw/zinc/03/23/74/1066032374.db2.gz VXFQSOAVWPEHJA-TZIWHRDSSA-N 0 0 455.628 4.595 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[C@H]2C[C@H](F)C2)c1C ZINC001360880303 1066032819 /nfs/dbraw/zinc/03/28/19/1066032819.db2.gz ZDAQTSXTHRFLNH-CWBXHPNXSA-N 0 0 474.621 4.803 20 0 JJADRN CO[C@@H](CNC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001360880445 1066033223 /nfs/dbraw/zinc/03/32/23/1066033223.db2.gz BVLDEYUBQUOBOT-SQJMNOBHSA-N 0 0 458.986 4.723 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001360880961 1066033446 /nfs/dbraw/zinc/03/34/46/1066033446.db2.gz LTCBWJUARQKQNW-UHFFFAOYSA-N 0 0 456.384 4.969 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC001360880689 1066033667 /nfs/dbraw/zinc/03/36/67/1066033667.db2.gz AQCBFRNAPXLPEX-KRWDZBQOSA-N 0 0 496.656 4.855 20 0 JJADRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)cn1 ZINC001441358234 1066033627 /nfs/dbraw/zinc/03/36/27/1066033627.db2.gz JIHBCLGDOILYNW-OAQYLSRUSA-N 0 0 450.516 4.851 20 0 JJADRN C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358930 1066034169 /nfs/dbraw/zinc/03/41/69/1066034169.db2.gz FCIDTXXWWBDWLC-ZHRRBRCNSA-N 0 0 454.473 4.732 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CC(C)C)nnc3N3CCC(C(=O)NCC(F)(F)F)CC3)cc2c1C ZINC001360881378 1066034403 /nfs/dbraw/zinc/03/44/03/1066034403.db2.gz KKJCLHFAUHDQLI-UHFFFAOYSA-N 0 0 490.574 4.518 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360881743 1066034965 /nfs/dbraw/zinc/03/49/65/1066034965.db2.gz WQGUZSDWJGDROA-ZKGSSEMHSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360881586 1066034985 /nfs/dbraw/zinc/03/49/85/1066034985.db2.gz NVGIPANQKMSGHT-HCLVMJGWSA-N 0 0 474.556 4.962 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2C[C@H]2CCO[C@H]2C(C)C)cc1C ZINC001360881974 1066035381 /nfs/dbraw/zinc/03/53/81/1066035381.db2.gz TZYYBIPNGYOQIU-GGAORHGYSA-N 0 0 451.615 4.755 20 0 JJADRN Cc1c(NC(=O)c2cc(F)c(Br)cc2N)cccc1-c1nnc2n1CCCCC2 ZINC001441368006 1066035861 /nfs/dbraw/zinc/03/58/61/1066035861.db2.gz GASCBMOQEYLYPP-UHFFFAOYSA-N 0 0 458.335 4.716 20 0 JJADRN CC(C)(NC(=O)c1nc2ccc(Br)cn2c1F)c1ccc(Br)cc1 ZINC001441371170 1066035878 /nfs/dbraw/zinc/03/58/78/1066035878.db2.gz NUOMDPFWGZTYFW-UHFFFAOYSA-N 0 0 455.125 4.664 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001360882899 1066036012 /nfs/dbraw/zinc/03/60/12/1066036012.db2.gz CSRUOOZXDSMFKO-XMMPIXPASA-N 0 0 484.442 4.890 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441369343 1066036122 /nfs/dbraw/zinc/03/61/22/1066036122.db2.gz VTBOWXTYNJKKIB-QGZVFWFLSA-N 0 0 457.534 4.600 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001360882837 1066036154 /nfs/dbraw/zinc/03/61/54/1066036154.db2.gz ARBKQWGZJKYHLF-IBGZPJMESA-N 0 0 450.562 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC001441371496 1066036353 /nfs/dbraw/zinc/03/63/53/1066036353.db2.gz PCACFVGCNJSGTP-UHFFFAOYSA-N 0 0 454.392 4.567 20 0 JJADRN CC1=C(C)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(Cl)s2)CC1 ZINC001360883095 1066036496 /nfs/dbraw/zinc/03/64/96/1066036496.db2.gz JTTZHGLULULLMH-QFIPXVFZSA-N 0 0 451.036 4.823 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360883108 1066036506 /nfs/dbraw/zinc/03/65/06/1066036506.db2.gz JVQKLMKKMIVPEE-XZOQPEGZSA-N 0 0 454.615 4.777 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCOc2ncccc2F)CC1 ZINC001360883138 1066036599 /nfs/dbraw/zinc/03/65/99/1066036599.db2.gz KKLCJTPKUHNAPL-SFHVURJKSA-N 0 0 455.509 4.717 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2ccc(F)cc2c1 ZINC001441391325 1066037036 /nfs/dbraw/zinc/03/70/36/1066037036.db2.gz SCOMKBAUPNMKNS-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360883357 1066037113 /nfs/dbraw/zinc/03/71/13/1066037113.db2.gz PLPDEGFABUPMNN-NDEPHWFRSA-N 0 0 465.461 4.801 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1CSC1=NCCS1 ZINC001441402293 1066037803 /nfs/dbraw/zinc/03/78/03/1066037803.db2.gz WUCZQFXFFUNMSG-UHFFFAOYSA-N 0 0 454.543 4.668 20 0 JJADRN COc1cc(/C=C(/C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c2ccccc2)ccc1O ZINC001441403270 1066037945 /nfs/dbraw/zinc/03/79/45/1066037945.db2.gz HJIZYPVHMJMCAZ-HZHRSRAPSA-N 0 0 459.546 4.788 20 0 JJADRN C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1ccc(OCc2cccnc2)cc1 ZINC001441402863 1066037998 /nfs/dbraw/zinc/03/79/98/1066037998.db2.gz HXWCTLLGWLBJNU-QRRACGJLSA-N 0 0 451.567 4.626 20 0 JJADRN COc1ccc(NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1N1CCCCC1=O ZINC001441410742 1066038798 /nfs/dbraw/zinc/03/87/98/1066038798.db2.gz AQNOFAHSMZEVRT-AREMUKBSSA-N 0 0 452.551 4.565 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001360884855 1066039113 /nfs/dbraw/zinc/03/91/13/1066039113.db2.gz JGVKXAIWGZYKLM-IBGZPJMESA-N 0 0 462.541 4.536 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC001441416924 1066039420 /nfs/dbraw/zinc/03/94/20/1066039420.db2.gz IEXXDYMUSJGBHJ-KRWDZBQOSA-N 0 0 456.589 4.924 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2COCCO2)CC1 ZINC001360884962 1066039574 /nfs/dbraw/zinc/03/95/74/1066039574.db2.gz NEHLDPVNMATWEU-KRWDZBQOSA-N 0 0 481.822 4.713 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001360885334 1066040451 /nfs/dbraw/zinc/04/04/51/1066040451.db2.gz CPYBKBAULFTKRH-UHFFFAOYSA-N 0 0 451.386 4.655 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001441425070 1066040504 /nfs/dbraw/zinc/04/05/04/1066040504.db2.gz RJNFDVYTDICBFC-UHFFFAOYSA-N 0 0 453.901 4.701 20 0 JJADRN C[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441428046 1066040806 /nfs/dbraw/zinc/04/08/06/1066040806.db2.gz MCDAGJPMRWUMEP-SFHVURJKSA-N 0 0 451.567 4.906 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)CC1 ZINC001360887679 1066041176 /nfs/dbraw/zinc/04/11/76/1066041176.db2.gz CMDCXMCIVBHFJH-OAQYLSRUSA-N 0 0 467.614 4.693 20 0 JJADRN Cc1sc(C)c(Cn2c([C@H]3CCOC3)nnc2N2CCC(C)=C(C)C2)c1Br ZINC001360888082 1066041591 /nfs/dbraw/zinc/04/15/91/1066041591.db2.gz OLPBECJFCYCSDV-INIZCTEOSA-N 0 0 451.434 4.818 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360888241 1066041625 /nfs/dbraw/zinc/04/16/25/1066041625.db2.gz SABVDCKVGXRGFU-QHCPKHFHSA-N 0 0 497.688 4.843 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001360888187 1066041658 /nfs/dbraw/zinc/04/16/58/1066041658.db2.gz RBKUHVSHSGGKJM-UHFFFAOYSA-N 0 0 486.686 4.947 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC001360888727 1066041954 /nfs/dbraw/zinc/04/19/54/1066041954.db2.gz GGQCKWGZBUVZEM-ZDUSSCGKSA-N 0 0 458.502 4.690 20 0 JJADRN CCCCCOc1ccc([C@@H](C)NC(=O)c2cc(Br)c(C)[nH]c2=O)cc1OC ZINC001441452282 1066042220 /nfs/dbraw/zinc/04/22/20/1066042220.db2.gz RZFFFHKVVXHPFC-CYBMUJFWSA-N 0 0 451.361 4.927 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1ccc2c(c1)oc1ccccc12 ZINC001360889100 1066042347 /nfs/dbraw/zinc/04/23/47/1066042347.db2.gz SZIVCXDKNZITLH-UHFFFAOYSA-N 0 0 452.532 4.924 20 0 JJADRN C[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545942058 1066042616 /nfs/dbraw/zinc/04/26/16/1066042616.db2.gz ILULOVSHDFBTGC-VJBMBRPKSA-N 0 0 454.611 4.807 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360889562 1066042562 /nfs/dbraw/zinc/04/25/62/1066042562.db2.gz LFBWTJCJLVFAJN-SFTDATJTSA-N 0 0 473.662 4.959 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001360889696 1066042779 /nfs/dbraw/zinc/04/27/79/1066042779.db2.gz PDZHKHPFNMDGBU-LJQANCHMSA-N 0 0 467.967 4.953 20 0 JJADRN CCOC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)C1 ZINC001441462856 1066043110 /nfs/dbraw/zinc/04/31/10/1066043110.db2.gz HADDRIRYCALWII-CYBMUJFWSA-N 0 0 453.967 4.617 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC001360890804 1066043026 /nfs/dbraw/zinc/04/30/26/1066043026.db2.gz RECZPCUPLLICSM-QGZVFWFLSA-N 0 0 458.530 4.714 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCOc3c(C)cccc3C)c2)c1 ZINC001441463937 1066043597 /nfs/dbraw/zinc/04/35/97/1066043597.db2.gz NLYJKIGJDWUZKU-UHFFFAOYSA-N 0 0 452.576 4.530 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)Nc2ccccc2)CC1 ZINC001360892479 1066044469 /nfs/dbraw/zinc/04/44/69/1066044469.db2.gz ABHIUEOJRFPLOZ-FYYLOGMGSA-N 0 0 451.615 4.772 20 0 JJADRN CC1=C(C)CN(c2nnc(CNC(=O)c3cccs3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360892456 1066044496 /nfs/dbraw/zinc/04/44/96/1066044496.db2.gz YSIKLULNBYXKCD-UHFFFAOYSA-N 0 0 484.695 4.813 20 0 JJADRN CC1=C(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001360892713 1066044756 /nfs/dbraw/zinc/04/47/56/1066044756.db2.gz JKWOEYMWQIZSHX-UHFFFAOYSA-N 0 0 460.047 4.816 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCCn2cc(Br)cn2)cc1 ZINC001360892716 1066044907 /nfs/dbraw/zinc/04/49/07/1066044907.db2.gz JTYVYKTTWRMHHY-UHFFFAOYSA-N 0 0 485.430 4.761 20 0 JJADRN CCOC(=O)Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2N)cc1 ZINC001441480706 1066045635 /nfs/dbraw/zinc/04/56/35/1066045635.db2.gz MGTMFDZFJOGAGK-UHFFFAOYSA-N 0 0 457.122 4.615 20 0 JJADRN CC1=C(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360893090 1066045671 /nfs/dbraw/zinc/04/56/71/1066045671.db2.gz YDYVQZHYVGIPRX-UHFFFAOYSA-N 0 0 476.021 4.924 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)cc1 ZINC001441491517 1066045905 /nfs/dbraw/zinc/04/59/05/1066045905.db2.gz GTMDIUMDZHZCLO-DEOSSOPVSA-N 0 0 456.634 4.654 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC001441482650 1066045953 /nfs/dbraw/zinc/04/59/53/1066045953.db2.gz RNZTWKSUCNVMII-INIZCTEOSA-N 0 0 450.476 4.811 20 0 JJADRN CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC001441493245 1066046417 /nfs/dbraw/zinc/04/64/17/1066046417.db2.gz GTVXSRLHLMJMCQ-UHFFFAOYSA-N 0 0 452.511 4.773 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)sc1C ZINC001360894180 1066046567 /nfs/dbraw/zinc/04/65/67/1066046567.db2.gz KFUPYVWIAVPVQX-IBGZPJMESA-N 0 0 498.672 4.991 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCCC3(F)F)C2)sc1C ZINC001360894261 1066046947 /nfs/dbraw/zinc/04/69/47/1066046947.db2.gz LSQJMXPOSBTSFB-ZWKOTPCHSA-N 0 0 480.629 4.699 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)s1 ZINC001441497221 1066047035 /nfs/dbraw/zinc/04/70/35/1066047035.db2.gz MEHCDDPSPFLLKG-UHFFFAOYSA-N 0 0 452.515 4.701 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C4CC4)n3C[C@@H](C)CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360894543 1066047301 /nfs/dbraw/zinc/04/73/01/1066047301.db2.gz QBRQPRLVLNXBME-HNAYVOBHSA-N 0 0 474.675 4.774 20 0 JJADRN C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCN(c2ccccc2)CC1 ZINC001441509025 1066047335 /nfs/dbraw/zinc/04/73/35/1066047335.db2.gz OKEJDPRGRXIJIE-FQEVSTJZSA-N 0 0 459.556 4.844 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1cccc(OCC(F)(F)F)c1 ZINC001441516739 1066047907 /nfs/dbraw/zinc/04/79/07/1066047907.db2.gz CACVHFVWLUQFML-UHFFFAOYSA-N 0 0 455.786 4.813 20 0 JJADRN C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001441522929 1066047934 /nfs/dbraw/zinc/04/79/34/1066047934.db2.gz GVSGDRUIQKCBTQ-OAHLLOKOSA-N 0 0 450.004 4.601 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)C1(C)C ZINC001441534987 1066048727 /nfs/dbraw/zinc/04/87/27/1066048727.db2.gz CQLBJVTUGNUUOO-DLBZAZTESA-N 0 0 453.421 4.782 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@H](C)C2)sc1C ZINC001360895893 1066048814 /nfs/dbraw/zinc/04/88/14/1066048814.db2.gz OSTISFODRIXZDR-BETUJISGSA-N 0 0 463.449 4.834 20 0 JJADRN Cc1cccc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCCC1 ZINC001441539195 1066049185 /nfs/dbraw/zinc/04/91/85/1066049185.db2.gz KLRPZPMLHMCAIX-PMACEKPBSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1cccc(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCCC1 ZINC001441539201 1066049341 /nfs/dbraw/zinc/04/93/41/1066049341.db2.gz KLRPZPMLHMCAIX-VQTJNVASSA-N 0 0 457.615 4.843 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(Cc4ccccn4)n3CCCCOC(C)C)C2)sc1C ZINC001360896094 1066049647 /nfs/dbraw/zinc/04/96/47/1066049647.db2.gz UGGAFEACICRQMS-OAQYLSRUSA-N 0 0 468.671 4.926 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC001441545357 1066049871 /nfs/dbraw/zinc/04/98/71/1066049871.db2.gz IUHGCSUNHNAKMT-INIZCTEOSA-N 0 0 456.326 4.659 20 0 JJADRN Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCCCC2)sc1C ZINC001360896070 1066049807 /nfs/dbraw/zinc/04/98/07/1066049807.db2.gz SURVCQBLPDYQEA-UHFFFAOYSA-N 0 0 473.046 4.558 20 0 JJADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC001441550362 1066050190 /nfs/dbraw/zinc/05/01/90/1066050190.db2.gz VAFPKJMKRICBJO-OAQYLSRUSA-N 0 0 454.983 4.844 20 0 JJADRN CCN(C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001360896310 1066050183 /nfs/dbraw/zinc/05/01/83/1066050183.db2.gz AKMQCJGYHZIBBP-LOSJGSFVSA-N 0 0 455.549 4.609 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)sc1C ZINC001360897339 1066050531 /nfs/dbraw/zinc/05/05/31/1066050531.db2.gz BVUADVIOXAPUDM-WBVHZDCISA-N 0 0 461.582 4.964 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2F)C[C@H](C)O1 ZINC001441558060 1066050580 /nfs/dbraw/zinc/05/05/80/1066050580.db2.gz JSBOBLUBGNVSSW-HDICACEKSA-N 0 0 450.510 4.976 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)sc1C ZINC001360897666 1066050798 /nfs/dbraw/zinc/05/07/98/1066050798.db2.gz GSFJDJWUJYEQIF-KRWDZBQOSA-N 0 0 465.545 4.753 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2ccccc2O[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC001360898298 1066051042 /nfs/dbraw/zinc/05/10/42/1066051042.db2.gz YBJBZGSUHZKNIK-LVXARBLLSA-N 0 0 451.950 4.965 20 0 JJADRN COc1cc(N)c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1Br ZINC001441564375 1066051556 /nfs/dbraw/zinc/05/15/56/1066051556.db2.gz LGOMEPCOCNXXCV-UHFFFAOYSA-N 0 0 451.324 4.915 20 0 JJADRN Cc1nc(CCn2c(COc3ccccc3F)nnc2N2C[C@H](C)S[C@@H](C)C2)sc1C ZINC001360898805 1066051921 /nfs/dbraw/zinc/05/19/21/1066051921.db2.gz DEOGYQSGPMEZJO-GJZGRUSLSA-N 0 0 461.632 4.642 20 0 JJADRN Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2cccs2)sc1C ZINC001360898975 1066052187 /nfs/dbraw/zinc/05/21/87/1066052187.db2.gz GXBZKQCCJQTQAX-OAHLLOKOSA-N 0 0 486.692 4.845 20 0 JJADRN Cc1nc(CCn2c(Cc3ccc(F)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)sc1C ZINC001360898973 1066052220 /nfs/dbraw/zinc/05/22/20/1066052220.db2.gz GTRGUFXRXLSFPA-UHFFFAOYSA-N 0 0 457.619 4.718 20 0 JJADRN Cc1nc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CCC2CC2)sc1C ZINC001360898995 1066052288 /nfs/dbraw/zinc/05/22/88/1066052288.db2.gz HIWZRFASFXXXNH-KDURUIRLSA-N 0 0 474.675 4.601 20 0 JJADRN CN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360899046 1066052388 /nfs/dbraw/zinc/05/23/88/1066052388.db2.gz FFCXQSKKYHUECZ-HNNXBMFYSA-N 0 0 453.967 4.768 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC[C@H]1CCc2ccccc21 ZINC001545943118 1066052933 /nfs/dbraw/zinc/05/29/33/1066052933.db2.gz TWOQKOMAKWZRGP-HGHGUNKESA-N 0 0 477.575 4.951 20 0 JJADRN COc1cc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC001441599563 1066053019 /nfs/dbraw/zinc/05/30/19/1066053019.db2.gz CUILTUQNPGJPEZ-BDJLRTHQSA-N 0 0 469.464 4.799 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2COCc2ccccc2)c1 ZINC001441599629 1066053029 /nfs/dbraw/zinc/05/30/29/1066053029.db2.gz MHVVXLWALGZUJL-UHFFFAOYSA-N 0 0 457.486 4.910 20 0 JJADRN COc1ccc(/C=C\C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1O ZINC001441608721 1066053322 /nfs/dbraw/zinc/05/33/22/1066053322.db2.gz CERJKSCXCQKTIR-XFFZJAGNSA-N 0 0 454.885 4.775 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2sc([C@@H]3CCOC3)nc2C)CC1 ZINC001441608757 1066053339 /nfs/dbraw/zinc/05/33/39/1066053339.db2.gz BKFCBXKTPQWPOK-RTWAWAEBSA-N 0 0 456.608 4.545 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2nc(C)ccc2Br)CC1 ZINC001441611094 1066053865 /nfs/dbraw/zinc/05/38/65/1066053865.db2.gz GXMODLVDXXLHMT-IBGZPJMESA-N 0 0 459.384 4.742 20 0 JJADRN CC[C@H](CNC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Oc1cccc(C)c1 ZINC001441614869 1066054172 /nfs/dbraw/zinc/05/41/72/1066054172.db2.gz NTPPLWZWIOBAFP-XMMPIXPASA-N 0 0 451.611 4.924 20 0 JJADRN Cc1nc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CCOCC2)sc1C ZINC001360900994 1066054302 /nfs/dbraw/zinc/05/43/02/1066054302.db2.gz BJZNOESAAGHXAX-MRXNPFEDSA-N 0 0 459.591 4.542 20 0 JJADRN Cc1nc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360901426 1066054959 /nfs/dbraw/zinc/05/49/59/1066054959.db2.gz QQSZMNZPLTXQIU-AWEZNQCLSA-N 0 0 482.448 4.910 20 0 JJADRN CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 ZINC001441619794 1066054970 /nfs/dbraw/zinc/05/49/70/1066054970.db2.gz FMLVUZXIRDTURV-UHFFFAOYSA-N 0 0 457.496 4.914 20 0 JJADRN C[C@@](O)(C(=O)NCc1ccccc1OCc1ccccc1)c1ccc(F)c(Br)c1 ZINC001441621032 1066055147 /nfs/dbraw/zinc/05/51/47/1066055147.db2.gz FDEYDFXZKYMVKJ-QHCPKHFHSA-N 0 0 458.327 4.691 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CC1 ZINC001441622286 1066055599 /nfs/dbraw/zinc/05/55/99/1066055599.db2.gz JBULKUGDGRPMJS-FQEVSTJZSA-N 0 0 454.523 4.626 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3F)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)sc1C ZINC001360902321 1066055844 /nfs/dbraw/zinc/05/58/44/1066055844.db2.gz GJDKJOJHEAMIPN-UHFFFAOYSA-N 0 0 479.507 4.595 20 0 JJADRN COc1ccc(F)cc1[C@H](C)NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 ZINC001441625937 1066055850 /nfs/dbraw/zinc/05/58/50/1066055850.db2.gz PKHWEPQUTAJMLJ-GZDIEUTLSA-N 0 0 452.592 4.581 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)CC2)cc1Cl ZINC001441628066 1066056192 /nfs/dbraw/zinc/05/61/92/1066056192.db2.gz XHDZBLYXFLVQKT-AWEZNQCLSA-N 0 0 454.329 4.585 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2OCc2ccccc2)c1 ZINC001441628073 1066056369 /nfs/dbraw/zinc/05/63/69/1066056369.db2.gz XKBVWPLBRAJMKE-UHFFFAOYSA-N 0 0 459.571 4.868 20 0 JJADRN Cc1nc(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(Br)s2)sc1C ZINC001360902929 1066056199 /nfs/dbraw/zinc/05/61/99/1066056199.db2.gz PWWLDJGRAFHSGM-UHFFFAOYSA-N 0 0 477.457 4.866 20 0 JJADRN Cc1nc(Cn2c(C3CCC3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)sc1C ZINC001360902723 1066056320 /nfs/dbraw/zinc/05/63/20/1066056320.db2.gz NDKDZJZNXHOABC-GOSISDBHSA-N 0 0 474.675 4.751 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)CC2)cc1Cl ZINC001441628122 1066056402 /nfs/dbraw/zinc/05/64/02/1066056402.db2.gz YCYMTKNPNNQQGW-MRXNPFEDSA-N 0 0 450.366 4.754 20 0 JJADRN CCCOCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001441634917 1066056714 /nfs/dbraw/zinc/05/67/14/1066056714.db2.gz YBWIVRZUXNMDQP-UHFFFAOYSA-N 0 0 452.576 4.652 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001441642993 1066057202 /nfs/dbraw/zinc/05/72/02/1066057202.db2.gz MMMOVTDRIVZBKW-WOJGMQOQSA-N 0 0 458.477 4.992 20 0 JJADRN Cc1nc(Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)sc1C ZINC001360904183 1066057563 /nfs/dbraw/zinc/05/75/63/1066057563.db2.gz DYLGNPDVWULCNA-OAQYLSRUSA-N 0 0 496.681 4.678 20 0 JJADRN CCCCCCOc1ccc(CC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1 ZINC001360903739 1066057599 /nfs/dbraw/zinc/05/75/99/1066057599.db2.gz LRGDLHOVYHYZSQ-UHFFFAOYSA-N 0 0 454.592 4.981 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)ccc1F ZINC001441651013 1066057705 /nfs/dbraw/zinc/05/77/05/1066057705.db2.gz LZDKXZDRPZGKRW-UHFFFAOYSA-N 0 0 455.408 4.560 20 0 JJADRN O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCC1(c2cccs2)CCCCC1 ZINC001360904306 1066058008 /nfs/dbraw/zinc/05/80/08/1066058008.db2.gz YKXUUFKIJLXBSH-GOSISDBHSA-N 0 0 459.999 4.625 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001441654857 1066057954 /nfs/dbraw/zinc/05/79/54/1066057954.db2.gz BWDMUPHPGVSYPI-WOJBJXKFSA-N 0 0 452.595 4.932 20 0 JJADRN CCN(Cc1ccccc1NC(=O)C[C@@H](c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C ZINC001441653153 1066057973 /nfs/dbraw/zinc/05/79/73/1066057973.db2.gz VXOBPCBTKXLZKS-INIZCTEOSA-N 0 0 454.493 4.852 20 0 JJADRN Cc1nc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)sc1C ZINC001360904855 1066058243 /nfs/dbraw/zinc/05/82/43/1066058243.db2.gz GYIBYBVGESDCTB-BSWQBHCVSA-N 0 0 475.703 4.960 20 0 JJADRN Cc1nc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(Br)s2)sc1C ZINC001360904710 1066058331 /nfs/dbraw/zinc/05/83/31/1066058331.db2.gz NCWBAISZODVMLT-UHFFFAOYSA-N 0 0 489.468 4.846 20 0 JJADRN Cc1nc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)sc1C ZINC001360904672 1066058401 /nfs/dbraw/zinc/05/84/01/1066058401.db2.gz MHJKUDSIQSROHB-ZYSBOAIWSA-N 0 0 459.685 4.923 20 0 JJADRN Cc1nc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C)C2)sc1C ZINC001360905008 1066058750 /nfs/dbraw/zinc/05/87/50/1066058750.db2.gz JQAREMZNWZAYOC-ZDUSSCGKSA-N 0 0 450.033 4.571 20 0 JJADRN Cc1nc(Cn2c(CCOc3ccccc3)nnc2N2CCC(Cl)=C(Cl)C2)sc1C ZINC001360905164 1066059248 /nfs/dbraw/zinc/05/92/48/1066059248.db2.gz LRRQQDMCRRYYPU-UHFFFAOYSA-N 0 0 464.422 4.921 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1C ZINC001441667399 1066059517 /nfs/dbraw/zinc/05/95/17/1066059517.db2.gz SEWLAWOQJNVUTL-DEOSSOPVSA-N 0 0 456.995 4.531 20 0 JJADRN Cc1nc(Cn2c(CCCc3ccccc3)nnc2N(C)CCC2CCOCC2)sc1C ZINC001360905378 1066059532 /nfs/dbraw/zinc/05/95/32/1066059532.db2.gz YPYDHQNKQPPOHZ-UHFFFAOYSA-N 0 0 453.656 4.828 20 0 JJADRN Cc1nc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)c2ccccc2)sc1C ZINC001360905284 1066059570 /nfs/dbraw/zinc/05/95/70/1066059570.db2.gz NHIWYDQGASDWBO-MRXNPFEDSA-N 0 0 466.636 4.589 20 0 JJADRN Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)sc1C ZINC001360905507 1066059676 /nfs/dbraw/zinc/05/96/76/1066059676.db2.gz RSQBKKHGLATNBE-HXUWFJFHSA-N 0 0 476.046 4.883 20 0 JJADRN CC[C@]1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001441668770 1066059669 /nfs/dbraw/zinc/05/96/69/1066059669.db2.gz IBYAIPMCXJLJIN-RUZDIDTESA-N 0 0 455.555 4.678 20 0 JJADRN COc1ccc(OC2CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001441673948 1066059797 /nfs/dbraw/zinc/05/97/97/1066059797.db2.gz UQOONIVPQFEKBH-SANMLTNESA-N 0 0 454.567 4.505 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441674720 1066060307 /nfs/dbraw/zinc/06/03/07/1066060307.db2.gz UAMFMHDQTLVXFV-HOYKHHGWSA-N 0 0 452.542 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441674726 1066060334 /nfs/dbraw/zinc/06/03/34/1066060334.db2.gz UAMFMHDQTLVXFV-MHECFPHRSA-N 0 0 452.542 4.808 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001360905757 1066060323 /nfs/dbraw/zinc/06/03/23/1066060323.db2.gz AQJYJVXUWDHPKY-UHFFFAOYSA-N 0 0 452.599 4.832 20 0 JJADRN O=C(Nc1cccc(COCc2ccco2)c1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001441678456 1066060480 /nfs/dbraw/zinc/06/04/80/1066060480.db2.gz HEDXZSFOKHDGFF-XYGWBWBKSA-N 0 0 453.498 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC001441680504 1066060864 /nfs/dbraw/zinc/06/08/64/1066060864.db2.gz MDTFGPVEUWGWKT-PTUXOGIPSA-N 0 0 452.551 4.619 20 0 JJADRN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001360907059 1066061313 /nfs/dbraw/zinc/06/13/13/1066061313.db2.gz SQLLOTWLNSOBPB-UHFFFAOYSA-N 0 0 458.301 4.864 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3C[C@@H](CC(=O)N(C)C)c4cc(Cl)ccc43)cs2)cc1 ZINC001360906982 1066061342 /nfs/dbraw/zinc/06/13/42/1066061342.db2.gz QCWFAEQSTXKPDZ-OAHLLOKOSA-N 0 0 455.967 4.694 20 0 JJADRN Cc1nccn1-c1ncccc1NC(=O)c1cc(Br)c(C)cc1Br ZINC001441684975 1066061280 /nfs/dbraw/zinc/06/12/80/1066061280.db2.gz YPIKFWFUDFFIFB-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3F)CC2)sc1C ZINC001360907371 1066061802 /nfs/dbraw/zinc/06/18/02/1066061802.db2.gz DEZLSUSUPRQVBO-KRWDZBQOSA-N 0 0 486.661 4.873 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC4CCCC4)n3CCCC(F)(F)F)CC2)sc1C ZINC001360907584 1066062024 /nfs/dbraw/zinc/06/20/24/1066062024.db2.gz KOOVCTDQGUYWGR-UHFFFAOYSA-N 0 0 456.582 4.753 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)CC2)sc1C ZINC001360907569 1066062087 /nfs/dbraw/zinc/06/20/87/1066062087.db2.gz KAJSOSPURMECDI-UHFFFAOYSA-N 0 0 493.450 4.903 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1CCCCC1 ZINC001360907662 1066062485 /nfs/dbraw/zinc/06/24/85/1066062485.db2.gz NCXZLJARJAPSKY-KRWDZBQOSA-N 0 0 487.695 4.827 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H]1CC=CCC1 ZINC001360907878 1066062520 /nfs/dbraw/zinc/06/25/20/1066062520.db2.gz SZMDTJCMSWADHB-VAMGGRTRSA-N 0 0 499.706 4.991 20 0 JJADRN O=C(CN(Cc1ccccc1F)C(=O)c1cnn(CC2CCCC2)c1)Nc1ccccc1F ZINC001441704408 1066062826 /nfs/dbraw/zinc/06/28/26/1066062826.db2.gz VLFGWUMFIJAFSQ-UHFFFAOYSA-N 0 0 452.505 4.633 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCSCC(C)C ZINC001360908216 1066063559 /nfs/dbraw/zinc/06/35/59/1066063559.db2.gz FSGYAGXPOQUWLV-SFHVURJKSA-N 0 0 498.722 4.823 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001441723073 1066064263 /nfs/dbraw/zinc/06/42/63/1066064263.db2.gz KXZCOJMEVNQGEH-DRSNIGMVSA-N 0 0 457.615 4.745 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001441723819 1066064283 /nfs/dbraw/zinc/06/42/83/1066064283.db2.gz KXZCOJMEVNQGEH-YVHKJVDXSA-N 0 0 457.615 4.745 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)C)n1CC1([S@@](C)=O)CCC1 ZINC001360908724 1066064565 /nfs/dbraw/zinc/06/45/65/1066064565.db2.gz PSMDFCJKCORZLW-WJOKGBTCSA-N 0 0 457.669 4.770 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC001441729636 1066064869 /nfs/dbraw/zinc/06/48/69/1066064869.db2.gz DBKGFHWDHWKUBA-UHFFFAOYSA-N 0 0 452.561 4.670 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCOCC2)n1C[C@@](C)(O)C(C)C ZINC001360908979 1066064887 /nfs/dbraw/zinc/06/48/87/1066064887.db2.gz UCERJXDXGJIPJH-RUZDIDTESA-N 0 0 469.655 4.647 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3nnc(SCc4ccccc4)s3)n[nH]2)cc1 ZINC001441734675 1066065092 /nfs/dbraw/zinc/06/50/92/1066065092.db2.gz QFSLANJCLRPUOA-UHFFFAOYSA-N 0 0 454.606 4.655 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CCCNC(=O)C(C)C ZINC001360909072 1066065233 /nfs/dbraw/zinc/06/52/33/1066065233.db2.gz WZHIKVRPMVYQQL-QZTJIDSGSA-N 0 0 466.655 4.632 20 0 JJADRN CC1(C)Cc2nc(NC(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)sc2C(=O)C1 ZINC001441735949 1066065531 /nfs/dbraw/zinc/06/55/31/1066065531.db2.gz XKRBEPRGHDOYJQ-UHFFFAOYSA-N 0 0 450.442 4.839 20 0 JJADRN Cc1nc(NC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)sc1-c1ccccc1 ZINC001441740737 1066066181 /nfs/dbraw/zinc/06/61/81/1066066181.db2.gz VYUZVYXSMJLUND-INIZCTEOSA-N 0 0 453.568 4.818 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC(C)(C)C(C)C ZINC001360910272 1066066217 /nfs/dbraw/zinc/06/62/17/1066066217.db2.gz BALBFUQOCQOAKD-ROUUACIJSA-N 0 0 460.692 4.854 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CC(C)(C)C(C)C ZINC001360910273 1066066247 /nfs/dbraw/zinc/06/62/47/1066066247.db2.gz BALBFUQOCQOAKD-ZWKOTPCHSA-N 0 0 460.692 4.854 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910458 1066066591 /nfs/dbraw/zinc/06/65/91/1066066591.db2.gz GVYRLEXAADQAMP-ROUUACIJSA-N 0 0 466.655 4.774 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@H](C(C)C)C2)n1CCSCC(C)C ZINC001360910558 1066066683 /nfs/dbraw/zinc/06/66/83/1066066683.db2.gz JSBABVFDYMRWIN-FQEVSTJZSA-N 0 0 492.759 4.808 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCC(=O)NC(C)C ZINC001360910457 1066066756 /nfs/dbraw/zinc/06/67/56/1066066756.db2.gz GVYRLEXAADQAMP-QZTJIDSGSA-N 0 0 466.655 4.774 20 0 JJADRN C[C@@](O)(C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c(Br)c1 ZINC001441742359 1066066923 /nfs/dbraw/zinc/06/69/23/1066066923.db2.gz YTYCCUDNNHLOJJ-IBGZPJMESA-N 0 0 453.308 4.621 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)n[nH]2)c(OC)c1 ZINC001441745466 1066067313 /nfs/dbraw/zinc/06/73/13/1066067313.db2.gz HHIYLVIAXZBOOP-UHFFFAOYSA-N 0 0 456.474 4.672 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc(Cl)cn1 ZINC001441744911 1066067396 /nfs/dbraw/zinc/06/73/96/1066067396.db2.gz FURHODSIDLBMQQ-UHFFFAOYSA-N 0 0 451.777 4.620 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@H]2C(C)C)n1CCCSCC(C)C ZINC001360910754 1066067390 /nfs/dbraw/zinc/06/73/90/1066067390.db2.gz OKJWMKHYEAVVOU-FQEVSTJZSA-N 0 0 492.759 4.951 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCSCC(C)C ZINC001360910764 1066067526 /nfs/dbraw/zinc/06/75/26/1066067526.db2.gz ONPWCSJTMKPDHW-LJQANCHMSA-N 0 0 498.722 4.823 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C(F)(F)C1(O)CCCCC1 ZINC001441760476 1066068120 /nfs/dbraw/zinc/06/81/20/1066068120.db2.gz BYBONJXVNLMSNK-UHFFFAOYSA-N 0 0 450.429 4.902 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCc1ccc(Cl)nc1 ZINC001441754856 1066068202 /nfs/dbraw/zinc/06/82/02/1066068202.db2.gz YQZGPXUYNPDBCR-UHFFFAOYSA-N 0 0 450.992 4.544 20 0 JJADRN Cc1ccc(Cc2cnc(NC(=O)[C@H](c3ccccc3)N3CCC(O)CC3)s2)cc1Cl ZINC001441767937 1066068513 /nfs/dbraw/zinc/06/85/13/1066068513.db2.gz UJNBESOMPHROSA-QFIPXVFZSA-N 0 0 456.011 4.832 20 0 JJADRN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441770864 1066068538 /nfs/dbraw/zinc/06/85/38/1066068538.db2.gz IZCJZNJZLAFDPK-IEBWSBKVSA-N 0 0 458.400 4.680 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCCC(C)(C)C ZINC001360911381 1066068582 /nfs/dbraw/zinc/06/85/82/1066068582.db2.gz JOKNUWWTYLVLPX-ZWKOTPCHSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001360911830 1066069063 /nfs/dbraw/zinc/06/90/63/1066069063.db2.gz YBJZXSCLKLGCOR-JKSUJKDBSA-N 0 0 457.420 4.854 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 ZINC001360913060 1066069722 /nfs/dbraw/zinc/06/97/22/1066069722.db2.gz KUDNOFYGEMJQQX-UHFFFAOYSA-N 0 0 478.445 4.526 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001360913203 1066069804 /nfs/dbraw/zinc/06/98/04/1066069804.db2.gz PPZMBNQTMHYIAI-UHFFFAOYSA-N 0 0 491.684 4.602 20 0 JJADRN CCOC(=O)N[C@@H](C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1)C(C)C ZINC001441800093 1066070195 /nfs/dbraw/zinc/07/01/95/1066070195.db2.gz NDRUJNXMRRZGDN-MRXNPFEDSA-N 0 0 454.390 4.514 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc(Cn3cc(Cl)cn3)s2)c(SC)cc1OC ZINC001360914252 1066070573 /nfs/dbraw/zinc/07/05/73/1066070573.db2.gz TVXOKPXRHMZFEO-UHFFFAOYSA-N 0 0 452.001 4.658 20 0 JJADRN CCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(OC(C)C)c1 ZINC001441807004 1066070602 /nfs/dbraw/zinc/07/06/02/1066070602.db2.gz AUBIJYAKSRVACM-UHFFFAOYSA-N 0 0 459.974 4.802 20 0 JJADRN CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)CC1 ZINC001441802765 1066070669 /nfs/dbraw/zinc/07/06/69/1066070669.db2.gz WBBYQYNSQLSHOP-UHFFFAOYSA-N 0 0 452.986 4.836 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c2ccccc2)cc1 ZINC001360915225 1066071069 /nfs/dbraw/zinc/07/10/69/1066071069.db2.gz AHZZNNHATJUCNH-QFQXNSOFSA-N 0 0 452.558 4.919 20 0 JJADRN CCCOc1ccc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1Cl ZINC001441810808 1066071445 /nfs/dbraw/zinc/07/14/45/1066071445.db2.gz BMPXIVRDCZJDQQ-RTBURBONSA-N 0 0 453.926 4.659 20 0 JJADRN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001441809635 1066071455 /nfs/dbraw/zinc/07/14/55/1066071455.db2.gz HYUJJPOIXUJLNV-ZWKOTPCHSA-N 0 0 454.439 4.748 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC001360915980 1066071771 /nfs/dbraw/zinc/07/17/71/1066071771.db2.gz WXVPEPKGQRFCHP-UHFFFAOYSA-N 0 0 450.604 4.870 20 0 JJADRN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001441812482 1066071899 /nfs/dbraw/zinc/07/18/99/1066071899.db2.gz ATERHBBGZNNSIM-SJLPKXTDSA-N 0 0 451.158 4.879 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC001441812723 1066072128 /nfs/dbraw/zinc/07/21/28/1066072128.db2.gz JJZZKERVJXYVSZ-BDXYMRDOSA-N 0 0 455.599 4.701 20 0 JJADRN Cc1n[nH]cc1CCCn1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C ZINC001360916562 1066072187 /nfs/dbraw/zinc/07/21/87/1066072187.db2.gz RFQPAPIMGMUJOS-FQEVSTJZSA-N 0 0 487.446 4.580 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1Cl ZINC001441815697 1066072531 /nfs/dbraw/zinc/07/25/31/1066072531.db2.gz BDRHPYZEAAHLAT-IDALMFTISA-N 0 0 476.017 4.842 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 ZINC001360916770 1066072581 /nfs/dbraw/zinc/07/25/81/1066072581.db2.gz YYEHUIQBOCIMCO-OAHLLOKOSA-N 0 0 463.076 4.830 20 0 JJADRN Cc1ncsc1CCn1c(C(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360918088 1066073525 /nfs/dbraw/zinc/07/35/25/1066073525.db2.gz IIBCULFXRHSYPE-WMZOPIPTSA-N 0 0 462.664 4.539 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001360918152 1066073568 /nfs/dbraw/zinc/07/35/68/1066073568.db2.gz KDTUISIPHJAIIG-UHFFFAOYSA-N 0 0 477.972 4.704 20 0 JJADRN Cc1ncsc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360918178 1066073907 /nfs/dbraw/zinc/07/39/07/1066073907.db2.gz LORVXAUTAXQCTO-MSOLQXFVSA-N 0 0 476.046 4.942 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1Cl ZINC001441822057 1066074086 /nfs/dbraw/zinc/07/40/86/1066074086.db2.gz LGLZJFXMIOYQQV-SFHVURJKSA-N 0 0 451.995 4.890 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@H]1C ZINC001360918245 1066073975 /nfs/dbraw/zinc/07/39/75/1066073975.db2.gz MTJOCUMTUNUAJV-IXDOHACOSA-N 0 0 461.632 4.895 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C)CC1 ZINC001360918494 1066074395 /nfs/dbraw/zinc/07/43/95/1066074395.db2.gz UQRPTSKLDAXBNB-UHFFFAOYSA-N 0 0 463.449 4.680 20 0 JJADRN Cc1ccsc1CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CCn1cccn1 ZINC001360918564 1066074646 /nfs/dbraw/zinc/07/46/46/1066074646.db2.gz WEHBKCTZTBLBMN-OAQYLSRUSA-N 0 0 464.639 4.980 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N[C@H]2CCOc3cc(OC)ccc32)nnc1-c1ccccc1 ZINC001360919073 1066074795 /nfs/dbraw/zinc/07/47/95/1066074795.db2.gz JNEVMWPJYCWQAD-UZLBHIALSA-N 0 0 452.580 4.657 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360919782 1066075090 /nfs/dbraw/zinc/07/50/90/1066075090.db2.gz BALSHTRYNQEYCO-OKILXGFUSA-N 0 0 467.458 4.995 20 0 JJADRN CCSCC[C@H](C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001360919170 1066075175 /nfs/dbraw/zinc/07/51/75/1066075175.db2.gz LHCKUQCYIFOTIL-HNNXBMFYSA-N 0 0 454.514 4.984 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC001441854534 1066075286 /nfs/dbraw/zinc/07/52/86/1066075286.db2.gz NNWLKZSHDGWWOC-UHFFFAOYSA-N 0 0 453.764 4.795 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360919850 1066075404 /nfs/dbraw/zinc/07/54/04/1066075404.db2.gz DAWQRCIOQFTUCZ-WBMJQRKESA-N 0 0 450.381 4.509 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@H]1CCCCS1 ZINC001545944819 1066075472 /nfs/dbraw/zinc/07/54/72/1066075472.db2.gz VYUSYYGETRDSDA-ZPMCFJSWSA-N 0 0 489.661 4.588 20 0 JJADRN Cc1ccccc1[C@@H]1CCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001441866170 1066075652 /nfs/dbraw/zinc/07/56/52/1066075652.db2.gz MWMBQJFWSUHCPN-FQEVSTJZSA-N 0 0 450.398 4.675 20 0 JJADRN Cc1nccn1-c1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)cn1 ZINC001441878769 1066076510 /nfs/dbraw/zinc/07/65/10/1066076510.db2.gz VMEYOGFBZDGTHG-UHFFFAOYSA-N 0 0 453.333 4.951 20 0 JJADRN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1Cc1cccc(Cl)c1C ZINC001545944924 1066076717 /nfs/dbraw/zinc/07/67/17/1066076717.db2.gz ZNBXKPXJQXWGPQ-GOSISDBHSA-N 0 0 477.947 4.727 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1C ZINC001441882601 1066077294 /nfs/dbraw/zinc/07/72/94/1066077294.db2.gz HBEGWEQSPAMJKU-UHFFFAOYSA-N 0 0 458.486 4.518 20 0 JJADRN COc1cccc(C[C@H]2CCCN2C(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001441883338 1066077335 /nfs/dbraw/zinc/07/73/35/1066077335.db2.gz KRGACQAFVKZWNM-LJQANCHMSA-N 0 0 456.608 4.897 20 0 JJADRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)ccc1F ZINC001441881607 1066077347 /nfs/dbraw/zinc/07/73/47/1066077347.db2.gz BCWLLJVYEPIMBK-UHFFFAOYSA-N 0 0 453.322 4.960 20 0 JJADRN O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)N1CCN(C(=O)c2ccsc2)CC1 ZINC001441881814 1066077424 /nfs/dbraw/zinc/07/74/24/1066077424.db2.gz CVVHDKKIMRXHOZ-UHFFFAOYSA-N 0 0 454.979 4.508 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC001360921606 1066077687 /nfs/dbraw/zinc/07/76/87/1066077687.db2.gz GYTZFHFMEWTWLD-UHFFFAOYSA-N 0 0 455.498 4.505 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1C ZINC001441885094 1066077774 /nfs/dbraw/zinc/07/77/74/1066077774.db2.gz LTIWKLNHUVDYGH-UHFFFAOYSA-N 0 0 453.442 4.683 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1 ZINC001360922492 1066077919 /nfs/dbraw/zinc/07/79/19/1066077919.db2.gz VKEPKFAWUSYZLV-UHFFFAOYSA-N 0 0 457.514 4.535 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)c1 ZINC001360922410 1066078001 /nfs/dbraw/zinc/07/80/01/1066078001.db2.gz RXJTWSSASXUREL-UHFFFAOYSA-N 0 0 457.514 4.535 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC001441885903 1066078129 /nfs/dbraw/zinc/07/81/29/1066078129.db2.gz FELLEIKLXUGCQL-CQSZACIVSA-N 0 0 453.391 4.745 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360922846 1066078230 /nfs/dbraw/zinc/07/82/30/1066078230.db2.gz DXEMRGUWILSSRH-NSHGMRRFSA-N 0 0 489.686 4.681 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360922847 1066078399 /nfs/dbraw/zinc/07/83/99/1066078399.db2.gz DXEMRGUWILSSRH-WSTZPKSXSA-N 0 0 489.686 4.681 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360923376 1066078602 /nfs/dbraw/zinc/07/86/02/1066078602.db2.gz QQBCIDMBSFGZNO-MOPGFXCFSA-N 0 0 475.659 4.578 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360923138 1066078816 /nfs/dbraw/zinc/07/88/16/1066078816.db2.gz LLVFERBWZSEGBH-WOJBJXKFSA-N 0 0 473.687 4.511 20 0 JJADRN O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001441888164 1066078838 /nfs/dbraw/zinc/07/88/38/1066078838.db2.gz UCYBHFJPUXTWGA-UHFFFAOYSA-N 0 0 450.894 4.990 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360923381 1066079121 /nfs/dbraw/zinc/07/91/21/1066079121.db2.gz QWNCEGDZSFDLIL-IBGZPJMESA-N 0 0 459.704 4.856 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001360923587 1066079570 /nfs/dbraw/zinc/07/95/70/1066079570.db2.gz XJQHAVCIOXJZJJ-FUHWJXTLSA-N 0 0 494.434 4.699 20 0 JJADRN Cc1ncsc1CCn1c(CCCc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360924157 1066079848 /nfs/dbraw/zinc/07/98/48/1066079848.db2.gz JYRDUVWJIUYMLG-IBGZPJMESA-N 0 0 492.615 4.534 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 ZINC001360923647 1066079862 /nfs/dbraw/zinc/07/98/62/1066079862.db2.gz YXTWEDZVVNWINK-RTBURBONSA-N 0 0 491.727 4.947 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360923770 1066079964 /nfs/dbraw/zinc/07/99/64/1066079964.db2.gz CKFNDNQEQOOHNG-UHFFFAOYSA-N 0 0 481.563 4.695 20 0 JJADRN CC[C@@]1(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441896353 1066080122 /nfs/dbraw/zinc/08/01/22/1066080122.db2.gz VWNITIUQFXDQJD-NIYFSFCBSA-N 0 0 453.583 4.875 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001441895911 1066080185 /nfs/dbraw/zinc/08/01/85/1066080185.db2.gz WKFFGSFHPMFHID-UHFFFAOYSA-N 0 0 458.967 4.682 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360924351 1066080350 /nfs/dbraw/zinc/08/03/50/1066080350.db2.gz MURNRYLVUOLNDE-UHFFFAOYSA-N 0 0 452.386 4.915 20 0 JJADRN Cc1ccsc1CCn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001360924356 1066080362 /nfs/dbraw/zinc/08/03/62/1066080362.db2.gz NAVLFMLYDKGWME-UHFFFAOYSA-N 0 0 483.604 4.518 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001360924816 1066081150 /nfs/dbraw/zinc/08/11/50/1066081150.db2.gz XCUTZTNKPHVHCY-HYHKQLJDSA-N 0 0 471.696 4.953 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1 ZINC001492597534 1066081207 /nfs/dbraw/zinc/08/12/07/1066081207.db2.gz ANLCSHZIHRJTSS-UHFFFAOYSA-N 0 0 456.594 4.927 20 0 JJADRN O=C(CNC(=O)c1cccc(Br)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001441926858 1066081424 /nfs/dbraw/zinc/08/14/24/1066081424.db2.gz DOYCRJQJURMYDX-UHFFFAOYSA-N 0 0 456.167 4.677 20 0 JJADRN COc1cc(CCC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc(OC)c1O ZINC001441934390 1066081668 /nfs/dbraw/zinc/08/16/68/1066081668.db2.gz UVWZGZFOWOLICL-UHFFFAOYSA-N 0 0 455.473 4.559 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001360925790 1066081972 /nfs/dbraw/zinc/08/19/72/1066081972.db2.gz BJHSUMUEDIQXAZ-INIZCTEOSA-N 0 0 462.019 4.522 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 ZINC001360925907 1066082250 /nfs/dbraw/zinc/08/22/50/1066082250.db2.gz SMOCLPSILJCIGJ-UHFFFAOYSA-N 0 0 458.868 4.601 20 0 JJADRN O=C(c1ccsc1)N1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC001441953257 1066082780 /nfs/dbraw/zinc/08/27/80/1066082780.db2.gz VSRMNOLXFBOQNP-UHFFFAOYSA-N 0 0 450.347 4.698 20 0 JJADRN Cc1ccsc1CCn1c(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)nnc1C(C)(C)C ZINC001360926354 1066082952 /nfs/dbraw/zinc/08/29/52/1066082952.db2.gz MPDYODRBOMPBAX-LJQANCHMSA-N 0 0 453.656 4.844 20 0 JJADRN Cc1ccsc1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001360926510 1066083023 /nfs/dbraw/zinc/08/30/23/1066083023.db2.gz RFOLZSABQRGSPV-UHFFFAOYSA-N 0 0 487.601 4.797 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1OCC(F)(F)F ZINC001441957126 1066082969 /nfs/dbraw/zinc/08/29/69/1066082969.db2.gz HIZHDJXSJZEWHZ-GOSISDBHSA-N 0 0 456.892 4.742 20 0 JJADRN Cc1ncsc1CCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360926473 1066083099 /nfs/dbraw/zinc/08/30/99/1066083099.db2.gz QIDIFWTVVLQVGU-OSPHWJPCSA-N 0 0 491.608 4.802 20 0 JJADRN O=C(OCc1cc(Br)ccc1F)c1cccc(F)c1I ZINC001360927799 1066083872 /nfs/dbraw/zinc/08/38/72/1066083872.db2.gz NKRCPBWMTDPOLO-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC001360928688 1066084276 /nfs/dbraw/zinc/08/42/76/1066084276.db2.gz MLGIOVROXPMLJF-SGNDLWITSA-N 0 0 452.595 4.920 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(COc2ccccc2)c1 ZINC001442003904 1066084733 /nfs/dbraw/zinc/08/47/33/1066084733.db2.gz IZXAAEFYVDAPDK-QXVHFUITSA-N 0 0 450.579 4.941 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)c1 ZINC001442007982 1066085215 /nfs/dbraw/zinc/08/52/15/1066085215.db2.gz HCSJLGVKNISMFR-BETUJISGSA-N 0 0 453.408 4.726 20 0 JJADRN O=C(NCc1cccc(COc2ccccc2)c1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001442008107 1066085260 /nfs/dbraw/zinc/08/52/60/1066085260.db2.gz OHPWWEBGLNJCLZ-UHFFFAOYSA-N 0 0 455.436 4.813 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC1 ZINC001442013646 1066085511 /nfs/dbraw/zinc/08/55/11/1066085511.db2.gz UZVNCPXKNNGIAC-CHWSQXEVSA-N 0 0 458.443 4.898 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001360929740 1066085728 /nfs/dbraw/zinc/08/57/28/1066085728.db2.gz BTRMGIZHCUPDJU-UHFFFAOYSA-N 0 0 450.568 4.696 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360929820 1066086039 /nfs/dbraw/zinc/08/60/39/1066086039.db2.gz NDGVIFLUOTZVJS-SZNDQCEHSA-N 0 0 476.444 4.660 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)cnn1C ZINC001360930297 1066086596 /nfs/dbraw/zinc/08/65/96/1066086596.db2.gz SOPRYWKKTLBGSO-KRWDZBQOSA-N 0 0 454.575 4.540 20 0 JJADRN CCOC(=O)N(C)c1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC001442031634 1066086950 /nfs/dbraw/zinc/08/69/50/1066086950.db2.gz LECLMMYXJCSKOG-UHFFFAOYSA-N 0 0 459.572 4.536 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492597557 1066087277 /nfs/dbraw/zinc/08/72/77/1066087277.db2.gz ARVGTEBIXDOTCY-NRFANRHFSA-N 0 0 496.656 4.753 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC001442037162 1066087494 /nfs/dbraw/zinc/08/74/94/1066087494.db2.gz VSVVISXLUHODCT-FQEVSTJZSA-N 0 0 451.007 4.684 20 0 JJADRN CCCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360930938 1066087747 /nfs/dbraw/zinc/08/77/47/1066087747.db2.gz JZGTUPCYODJAMP-XXBNENTESA-N 0 0 457.565 4.973 20 0 JJADRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001442049763 1066087854 /nfs/dbraw/zinc/08/78/54/1066087854.db2.gz MXIFHZSCDOEIGQ-FXCLAUTBSA-N 0 0 451.405 4.534 20 0 JJADRN Cc1cc(C)cc(N2CC[C@H](C(=O)NCC3(c4cccc(Br)c4)CCC3)C2=O)c1 ZINC001442059321 1066088061 /nfs/dbraw/zinc/08/80/61/1066088061.db2.gz AFAHTNOAUWCASM-OAQYLSRUSA-N 0 0 455.396 4.657 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)NCC3(c4cccc(Br)c4)CCC3)CC2=O)c1C ZINC001442063363 1066088570 /nfs/dbraw/zinc/08/85/70/1066088570.db2.gz PKVHZCGLWHJQPE-SFHVURJKSA-N 0 0 455.396 4.657 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2sc(CC)nc2C)cc1 ZINC001360931751 1066088594 /nfs/dbraw/zinc/08/85/94/1066088594.db2.gz VBJYTZFRVYFRPJ-QGZVFWFLSA-N 0 0 451.658 4.658 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)NC(=O)OC(C)(C)C ZINC001442062351 1066088702 /nfs/dbraw/zinc/08/87/02/1066088702.db2.gz BIWKSUAZALGRGD-OAHLLOKOSA-N 0 0 458.540 4.791 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC(F)(F)C2)cnn1C ZINC001360932030 1066088864 /nfs/dbraw/zinc/08/88/64/1066088864.db2.gz CNUIFMDZHPRBPM-CQSZACIVSA-N 0 0 497.363 4.960 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001360932000 1066088997 /nfs/dbraw/zinc/08/89/97/1066088997.db2.gz BQGAOFAAOZZGRV-GOEBONIOSA-N 0 0 476.444 4.924 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1cc(F)c2ncccc2c1 ZINC001442065677 1066089017 /nfs/dbraw/zinc/08/90/17/1066089017.db2.gz BGPVMHQRIOURNG-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN C[C@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O ZINC001442065322 1066089151 /nfs/dbraw/zinc/08/91/51/1066089151.db2.gz VGTNVJHABVFTPJ-CYBMUJFWSA-N 0 0 459.365 4.830 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC1(c2cccc(Br)c2)CCC1)C(C)(C)C ZINC001442065372 1066089241 /nfs/dbraw/zinc/08/92/41/1066089241.db2.gz VOHYPKSABSIACG-QGZVFWFLSA-N 0 0 453.421 4.926 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CSCCS1 ZINC001360932132 1066089405 /nfs/dbraw/zinc/08/94/05/1066089405.db2.gz GTSZATNNYKZSMC-GOSISDBHSA-N 0 0 466.579 4.933 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nc(C(C)C)cs2)cnn1C ZINC001360932135 1066089436 /nfs/dbraw/zinc/08/94/36/1066089436.db2.gz GXDXVUIKKYFRAB-UHFFFAOYSA-N 0 0 487.580 4.853 20 0 JJADRN O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442071183 1066089644 /nfs/dbraw/zinc/08/96/44/1066089644.db2.gz PHADAYXPLARKNV-UHFFFAOYSA-N 0 0 454.857 4.739 20 0 JJADRN COc1ccc(CCCN(C)C(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)cc1 ZINC001442070129 1066089796 /nfs/dbraw/zinc/08/97/96/1066089796.db2.gz LTZHGGDBDLHAEQ-UHFFFAOYSA-N 0 0 456.583 4.646 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360932751 1066090551 /nfs/dbraw/zinc/09/05/51/1066090551.db2.gz RUZDGLCVPUNLMI-FPTDNZKUSA-N 0 0 477.378 4.936 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1(C)C ZINC001360932909 1066090728 /nfs/dbraw/zinc/09/07/28/1066090728.db2.gz UMUOLQOTSDQMEA-CYBMUJFWSA-N 0 0 481.489 4.969 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2)cnn1C ZINC001360932933 1066091166 /nfs/dbraw/zinc/09/11/66/1066091166.db2.gz VIBYGEIFRDROPE-IBGZPJMESA-N 0 0 475.460 4.672 20 0 JJADRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC001360933621 1066091631 /nfs/dbraw/zinc/09/16/31/1066091631.db2.gz KKMQHPSBIBOWOY-GCJKJVERSA-N 0 0 454.567 4.762 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1ccc(C)c(OC)c1 ZINC001360934360 1066092073 /nfs/dbraw/zinc/09/20/73/1066092073.db2.gz WILDSPPNXXZRSA-UHFFFAOYSA-N 0 0 459.498 4.556 20 0 JJADRN COc1ccc(CCCNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001442091946 1066092385 /nfs/dbraw/zinc/09/23/85/1066092385.db2.gz SHCDBIIGVZDKCX-IBGZPJMESA-N 0 0 458.558 4.671 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CCC2CC2)cnn1C ZINC001360934551 1066092445 /nfs/dbraw/zinc/09/24/45/1066092445.db2.gz DCBIMJVQQGYHAI-UHFFFAOYSA-N 0 0 463.811 4.839 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOCC(F)F)cnn1C ZINC001360934540 1066092470 /nfs/dbraw/zinc/09/24/70/1066092470.db2.gz COFLRISAKKMNSD-UHFFFAOYSA-N 0 0 473.355 4.602 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC001360934557 1066092485 /nfs/dbraw/zinc/09/24/85/1066092485.db2.gz DHROKTCJEOAJTO-SJORKVTESA-N 0 0 467.927 4.965 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC(F)(F)CO1 ZINC001360934670 1066092862 /nfs/dbraw/zinc/09/28/62/1066092862.db2.gz HNCDKFXZFXFOBP-OAHLLOKOSA-N 0 0 485.304 4.809 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CCC1 ZINC001360934717 1066093226 /nfs/dbraw/zinc/09/32/26/1066093226.db2.gz JFUYMKJHLRXPIK-PMERELPUSA-N 0 0 450.967 4.577 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC001442103288 1066093288 /nfs/dbraw/zinc/09/32/88/1066093288.db2.gz KGNRYEBWISTJGX-UHFFFAOYSA-N 0 0 451.933 4.765 20 0 JJADRN CCCC(=O)Nc1nc2ccc(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)cc2s1 ZINC001442102756 1066093412 /nfs/dbraw/zinc/09/34/12/1066093412.db2.gz FSAMJTNWNVXMTI-UHFFFAOYSA-N 0 0 456.515 4.524 20 0 JJADRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccn1-c1cccc(I)c1 ZINC001442105280 1066093881 /nfs/dbraw/zinc/09/38/81/1066093881.db2.gz NLLUVGZRFBXBJX-UHFFFAOYSA-N 0 0 454.271 4.724 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNc2ccccn2)cnn1C ZINC001360934964 1066094050 /nfs/dbraw/zinc/09/40/50/1066094050.db2.gz RXWMFHJNFPAQGR-UHFFFAOYSA-N 0 0 472.641 4.818 20 0 JJADRN CO[C@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1C(F)(F)F ZINC001442109593 1066094099 /nfs/dbraw/zinc/09/40/99/1066094099.db2.gz TUGXEEDAUIJPDV-ROUUACIJSA-N 0 0 458.274 4.756 20 0 JJADRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001442107349 1066094350 /nfs/dbraw/zinc/09/43/50/1066094350.db2.gz WSCMEMYNMIHANE-LJQANCHMSA-N 0 0 458.603 4.744 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442110467 1066094648 /nfs/dbraw/zinc/09/46/48/1066094648.db2.gz VRTZXCHRLAOYEY-ACJLOTCBSA-N 0 0 458.274 4.835 20 0 JJADRN C[C@@H]1CN(Cc2cccc(CNC(=O)c3cccnc3SCC3CCCCC3)c2)CCO1 ZINC001442110281 1066094731 /nfs/dbraw/zinc/09/47/31/1066094731.db2.gz CTYUFNIJIARLAN-HXUWFJFHSA-N 0 0 453.652 4.905 20 0 JJADRN C[C@@H](C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001442111736 1066095122 /nfs/dbraw/zinc/09/51/22/1066095122.db2.gz KWIJIHJQHAQTPA-FCHUYYIVSA-N 0 0 456.586 4.558 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001442111762 1066095230 /nfs/dbraw/zinc/09/52/30/1066095230.db2.gz KXNLBMZWQSEMBZ-GMGKOPGTSA-N 0 0 459.590 4.574 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1CCCOC[C@H]1CCCO1 ZINC001360935727 1066095470 /nfs/dbraw/zinc/09/54/70/1066095470.db2.gz VAMYURYCDACBRQ-QGZVFWFLSA-N 0 0 462.019 4.586 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(O)c1 ZINC001442112443 1066095533 /nfs/dbraw/zinc/09/55/33/1066095533.db2.gz CXELIJCJGQBLNP-UHFFFAOYSA-N 0 0 453.470 4.996 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1CCCOC[C@@H]1CCCO1 ZINC001360935726 1066095702 /nfs/dbraw/zinc/09/57/02/1066095702.db2.gz VAMYURYCDACBRQ-KRWDZBQOSA-N 0 0 462.019 4.586 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001442115683 1066095967 /nfs/dbraw/zinc/09/59/67/1066095967.db2.gz IFTAKZDUTVASEU-HSALFYBXSA-N 0 0 467.651 4.566 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 ZINC001360936677 1066096258 /nfs/dbraw/zinc/09/62/58/1066096258.db2.gz COIUEUSOZLXXJE-CYBMUJFWSA-N 0 0 452.960 4.582 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001360937646 1066096803 /nfs/dbraw/zinc/09/68/03/1066096803.db2.gz XCNXPAFLPYDFRM-UHFFFAOYSA-N 0 0 457.456 4.867 20 0 JJADRN O=C(NCC1(c2cccc(F)c2)CCCCC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001442121470 1066096784 /nfs/dbraw/zinc/09/67/84/1066096784.db2.gz XVMHDPHKRAIVJO-UHFFFAOYSA-N 0 0 458.599 4.679 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2c[nH]c3ccccc32)n1CCOCC(F)(F)C(F)F ZINC001360937920 1066097044 /nfs/dbraw/zinc/09/70/44/1066097044.db2.gz DRSVQCGOPHXJDQ-UHFFFAOYSA-N 0 0 482.507 4.745 20 0 JJADRN COc1ccc([C@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)c2ccc(F)cc2)cc1 ZINC001442149679 1066097636 /nfs/dbraw/zinc/09/76/36/1066097636.db2.gz JGPQINTWIMUWFE-XMMPIXPASA-N 0 0 453.583 4.717 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360940566 1066097817 /nfs/dbraw/zinc/09/78/17/1066097817.db2.gz HEYFFRNASWUWBK-HXUWFJFHSA-N 0 0 467.570 4.715 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c2ccc(F)cc2)cc1 ZINC001442149765 1066097966 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YDPVYDLXRVLZIK-GOSISDBHSA-N 0 0 450.922 4.605 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)o1 ZINC001360942535 1066098570 /nfs/dbraw/zinc/09/85/70/1066098570.db2.gz SIOSPFVWIGPMMF-FTRWYGJKSA-N 0 0 459.384 4.957 20 0 JJADRN CCCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943006 1066098692 /nfs/dbraw/zinc/09/86/92/1066098692.db2.gz DFJVVCCXYQEIAX-DVECYGJZSA-N 0 0 458.541 4.772 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001442170111 1066098825 /nfs/dbraw/zinc/09/88/25/1066098825.db2.gz BUWQEPLPDLXLAR-LBPRGKRZSA-N 0 0 451.778 4.789 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1C ZINC001360943567 1066098981 /nfs/dbraw/zinc/09/89/81/1066098981.db2.gz AAINLXKPLSHGSV-LMNJBCLMSA-N 0 0 473.618 4.561 20 0 JJADRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442179113 1066099109 /nfs/dbraw/zinc/09/91/09/1066099109.db2.gz CQEXRWSAIYETCE-CWWGLNLWSA-N 0 0 454.558 4.891 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442175003 1066099290 /nfs/dbraw/zinc/09/92/90/1066099290.db2.gz RKPPGRQHHVZKEL-CVEARBPZSA-N 0 0 451.995 4.654 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2CCc2nc(C(C)(C)C)cs2)cnn1C ZINC001360944693 1066099292 /nfs/dbraw/zinc/09/92/92/1066099292.db2.gz FVIWYNOCEIAXQZ-UHFFFAOYSA-N 0 0 481.645 4.683 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001360944775 1066099779 /nfs/dbraw/zinc/09/97/79/1066099779.db2.gz IWUGQUZLTBYZHS-CVDCTZTESA-N 0 0 457.619 4.861 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCOC2CCCCCC2)cnn1C ZINC001360945084 1066100209 /nfs/dbraw/zinc/10/02/09/1066100209.db2.gz TYNDVKKXYXFPJO-UHFFFAOYSA-N 0 0 471.049 4.940 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360946168 1066100618 /nfs/dbraw/zinc/10/06/18/1066100618.db2.gz CUZZUGAKJQXHQZ-UHFFFAOYSA-N 0 0 450.587 4.782 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1Cc1c(F)cc(F)c(F)c1F ZINC001360946461 1066101268 /nfs/dbraw/zinc/10/12/68/1066101268.db2.gz KESOJSFQPXCELQ-UHFFFAOYSA-N 0 0 467.517 4.936 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC001442191161 1066101342 /nfs/dbraw/zinc/10/13/42/1066101342.db2.gz YVVMXMKOVGBYGU-UHFFFAOYSA-N 0 0 459.893 4.991 20 0 JJADRN COC(=O)Cc1sc(NC(=O)c2ncsc2Nc2ccccc2)nc1-c1ccccc1 ZINC001442199326 1066101407 /nfs/dbraw/zinc/10/14/07/1066101407.db2.gz JWQUGBXQMVXWDN-UHFFFAOYSA-N 0 0 450.545 4.978 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2cccnc2)n1CCc1ccc(Br)s1 ZINC001360946411 1066101330 /nfs/dbraw/zinc/10/13/30/1066101330.db2.gz IMNMRCYZIFLOMK-UHFFFAOYSA-N 0 0 472.412 4.868 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001442206379 1066101956 /nfs/dbraw/zinc/10/19/56/1066101956.db2.gz BMFVIJQZDLWLBC-UHFFFAOYSA-N 0 0 454.998 4.753 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@H]2CCSC2(C)C)cnn1C ZINC001360947236 1066101973 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492.615 4.739 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001442212771 1066103278 /nfs/dbraw/zinc/10/32/78/1066103278.db2.gz WMGUUHFFZRAYIJ-UHFFFAOYSA-N 0 0 455.454 4.933 20 0 JJADRN COc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001442220550 1066103644 /nfs/dbraw/zinc/10/36/44/1066103644.db2.gz KXYVFAGHJULGKA-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001442221197 1066103686 /nfs/dbraw/zinc/10/36/86/1066103686.db2.gz MHSOGRBUYTYVKV-UHFFFAOYSA-N 0 0 451.983 4.837 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(F)c(F)cc1I ZINC001360948898 1066103735 /nfs/dbraw/zinc/10/37/35/1066103735.db2.gz MAZHMWJDYMPACS-SSDOTTSWSA-N 0 0 455.601 4.768 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)nc1 ZINC001360949395 1066104213 /nfs/dbraw/zinc/10/42/13/1066104213.db2.gz FFLRXVKDIAXHDP-IBGZPJMESA-N 0 0 487.004 4.985 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1c(C)noc1C ZINC001360949402 1066104266 /nfs/dbraw/zinc/10/42/66/1066104266.db2.gz FLKAEZQBMYONKJ-UHFFFAOYSA-N 0 0 458.975 4.565 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1 ZINC001360949360 1066104315 /nfs/dbraw/zinc/10/43/15/1066104315.db2.gz DIVJNEBMAYQSPY-UHFFFAOYSA-N 0 0 482.437 4.992 20 0 JJADRN O=C(CCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 ZINC001442230548 1066105101 /nfs/dbraw/zinc/10/51/01/1066105101.db2.gz FOBALUZGYUPEAU-FQEVSTJZSA-N 0 0 456.612 4.512 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCOC1 ZINC001360949569 1066105541 /nfs/dbraw/zinc/10/55/41/1066105541.db2.gz LIOKJXGSSPDRAS-OAHLLOKOSA-N 0 0 482.437 4.992 20 0 JJADRN CC(C)(C)c1ccc([C@H](NC(=O)CNC(=O)NCc2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001442233995 1066105802 /nfs/dbraw/zinc/10/58/02/1066105802.db2.gz PLLYFNIGFVMWTP-IBGZPJMESA-N 0 0 455.908 4.857 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)COC1 ZINC001360949727 1066106230 /nfs/dbraw/zinc/10/62/30/1066106230.db2.gz QWGYDGMBOUBLHQ-UHFFFAOYSA-N 0 0 468.410 4.602 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1 ZINC001360949670 1066106322 /nfs/dbraw/zinc/10/63/22/1066106322.db2.gz OSRMQUCNDBUBBC-MSOLQXFVSA-N 0 0 492.715 4.895 20 0 JJADRN COc1ccc(-n2ccc(CNC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)n2)cc1 ZINC001442237000 1066106530 /nfs/dbraw/zinc/10/65/30/1066106530.db2.gz ZQEQYZNDUKZZHA-UHFFFAOYSA-N 0 0 456.333 4.612 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)c3cc(I)c(F)cc3F)c2)[nH]c1C ZINC001442237446 1066106570 /nfs/dbraw/zinc/10/65/70/1066106570.db2.gz WUCPCQXKPKCKDA-UHFFFAOYSA-N 0 0 453.230 4.829 20 0 JJADRN CCc1c(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cnn1-c1ccccc1Cl ZINC001442240423 1066106613 /nfs/dbraw/zinc/10/66/13/1066106613.db2.gz WENSVKVPOLVFGY-UHFFFAOYSA-N 0 0 453.970 4.575 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CCOc1ncccc1F ZINC001360949743 1066106884 /nfs/dbraw/zinc/10/68/84/1066106884.db2.gz RLKONPUYBCUKQZ-UHFFFAOYSA-N 0 0 488.976 4.525 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)ccc2C1 ZINC001442244161 1066107331 /nfs/dbraw/zinc/10/73/31/1066107331.db2.gz HEDDHTSQHUHCFW-IBGZPJMESA-N 0 0 458.942 4.723 20 0 JJADRN CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC001442247976 1066107827 /nfs/dbraw/zinc/10/78/27/1066107827.db2.gz GINYQBNHIZXZQW-KRWDZBQOSA-N 0 0 456.539 4.905 20 0 JJADRN COc1cccc(N(CC(=O)NCCc2ccccc2C(F)(F)F)C(=O)OC(C)(C)C)c1 ZINC001442246328 1066107968 /nfs/dbraw/zinc/10/79/68/1066107968.db2.gz FVMPHUJTZCCWEM-UHFFFAOYSA-N 0 0 452.473 4.814 20 0 JJADRN Cn1nc(-c2ccncc2)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001360951200 1066108076 /nfs/dbraw/zinc/10/80/76/1066108076.db2.gz QHWXFPOBLNPDSB-UHFFFAOYSA-N 0 0 457.321 4.800 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001442251541 1066108340 /nfs/dbraw/zinc/10/83/40/1066108340.db2.gz ONXXFEOLXYUCKV-UHFFFAOYSA-N 0 0 450.967 4.512 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC001442250378 1066108393 /nfs/dbraw/zinc/10/83/93/1066108393.db2.gz NATNBBIEOGSMFF-FYYLOGMGSA-N 0 0 465.594 4.681 20 0 JJADRN CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cccs1)OC ZINC001545947571 1066109540 /nfs/dbraw/zinc/10/95/40/1066109540.db2.gz ABNYQZMYPKAOSP-UXHICEINSA-N 0 0 453.612 4.975 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001360953310 1066110270 /nfs/dbraw/zinc/11/02/70/1066110270.db2.gz KDRJZZLNYOBERS-UHFFFAOYSA-N 0 0 482.997 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC001442267451 1066110643 /nfs/dbraw/zinc/11/06/43/1066110643.db2.gz SJNOZTUOWOBGEN-HSZRJFAPSA-N 0 0 452.979 4.752 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 ZINC001360954413 1066111025 /nfs/dbraw/zinc/11/10/25/1066111025.db2.gz TYLTYJWELJINIS-UHFFFAOYSA-N 0 0 460.003 4.590 20 0 JJADRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442268308 1066111312 /nfs/dbraw/zinc/11/13/12/1066111312.db2.gz WCSDCCCOZKDEOM-BEFAXECRSA-N 0 0 452.473 4.855 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)CC1=O ZINC001360954993 1066111407 /nfs/dbraw/zinc/11/14/07/1066111407.db2.gz HJLIQTSRTDAEPJ-YKSBVNFPSA-N 0 0 450.579 4.585 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(C)(C)OC[C@@H]2C)cnn1CC(C)C ZINC001360955460 1066111491 /nfs/dbraw/zinc/11/14/91/1066111491.db2.gz DHAGVFLEZLSODC-ICSRJNTNSA-N 0 0 484.620 4.770 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360955747 1066112003 /nfs/dbraw/zinc/11/20/03/1066112003.db2.gz HBWOJUXMJMQDIO-WFXMLNOXSA-N 0 0 499.587 4.856 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)cnn1CC(C)C ZINC001360956579 1066112899 /nfs/dbraw/zinc/11/28/99/1066112899.db2.gz OBKAFPWNLFBLJG-FQEVSTJZSA-N 0 0 477.588 4.798 20 0 JJADRN Cc1nc(-c2cccc(C(=O)NCCCN3CCN(c4ccccc4Cl)CC3)c2)cs1 ZINC001442298658 1066112945 /nfs/dbraw/zinc/11/29/45/1066112945.db2.gz VKWGWKGFDBBCED-UHFFFAOYSA-N 0 0 455.027 4.714 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C)C2)cnn1CC(C)C ZINC001360957165 1066113553 /nfs/dbraw/zinc/11/35/53/1066113553.db2.gz VJCPDINCTISDMR-MJGOQNOKSA-N 0 0 473.021 4.506 20 0 JJADRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c1 ZINC001442300771 1066113624 /nfs/dbraw/zinc/11/36/24/1066113624.db2.gz MAQCQGAGLZCJTP-JOCHJYFZSA-N 0 0 453.583 4.745 20 0 JJADRN COC[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCCCN1C(=O)OC(C)(C)C ZINC001360957626 1066113921 /nfs/dbraw/zinc/11/39/21/1066113921.db2.gz LPPSJWBCMXVPRX-XMMPIXPASA-N 0 0 450.551 4.892 20 0 JJADRN COC[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCCCN1C(=O)OC(C)(C)C ZINC001360957625 1066114006 /nfs/dbraw/zinc/11/40/06/1066114006.db2.gz LPPSJWBCMXVPRX-DEOSSOPVSA-N 0 0 450.551 4.892 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(OC(C)(C)C)cc3)c2)c1 ZINC001442301586 1066113994 /nfs/dbraw/zinc/11/39/94/1066113994.db2.gz XCUHQGMYWROENI-UHFFFAOYSA-N 0 0 452.576 4.903 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001442300682 1066114042 /nfs/dbraw/zinc/11/40/42/1066114042.db2.gz UXOJXWWCMPVNGV-IZZNHLLZSA-N 0 0 459.565 4.824 20 0 JJADRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3cccc(O)c3)cc2Cl)n1 ZINC001442304957 1066114671 /nfs/dbraw/zinc/11/46/71/1066114671.db2.gz WIXZZWYFHLATLA-MRXNPFEDSA-N 0 0 454.958 4.975 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360958504 1066115042 /nfs/dbraw/zinc/11/50/42/1066115042.db2.gz OVEGXILPUKESDQ-SFHVURJKSA-N 0 0 461.429 4.987 20 0 JJADRN CC[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1nc(-c2ccccc2)c[nH]1 ZINC001442306108 1066115322 /nfs/dbraw/zinc/11/53/22/1066115322.db2.gz INVHZQNDTLEMEC-INIZCTEOSA-N 0 0 451.324 4.974 20 0 JJADRN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccsc1)Oc1cccc(F)c1 ZINC001545948257 1066116525 /nfs/dbraw/zinc/11/65/25/1066116525.db2.gz NFLFWJRDVZDWJJ-TZIWHRDSSA-N 0 0 471.602 4.816 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)c2ccco2)cnn1C ZINC001360959490 1066116820 /nfs/dbraw/zinc/11/68/20/1066116820.db2.gz DLDAQDZEZQGQNA-ZDUSSCGKSA-N 0 0 461.389 4.650 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnccn1 ZINC001360960075 1066118124 /nfs/dbraw/zinc/11/81/24/1066118124.db2.gz YOCAPHOYSMDPBE-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN Cc1c(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CCC(C)CC2)cnn1C ZINC001360960232 1066118546 /nfs/dbraw/zinc/11/85/46/1066118546.db2.gz GCKBWZBUVZUPMR-UHFFFAOYSA-N 0 0 475.410 4.952 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545948422 1066118589 /nfs/dbraw/zinc/11/85/89/1066118589.db2.gz QJCDHBGRSANHSF-IBGZPJMESA-N 0 0 472.634 4.576 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](CO)c3ccc(Cl)cc3)c(C(F)(F)F)c2)n1 ZINC001442350089 1066118607 /nfs/dbraw/zinc/11/86/07/1066118607.db2.gz CNLXZSPFIHBUKB-IBGZPJMESA-N 0 0 451.876 4.554 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360960218 1066118582 /nfs/dbraw/zinc/11/85/82/1066118582.db2.gz FSWYFBDRECFAHT-IBGZPJMESA-N 0 0 458.031 4.758 20 0 JJADRN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1)Oc1ccccc1F ZINC001545948453 1066118705 /nfs/dbraw/zinc/11/87/05/1066118705.db2.gz RFFCHCVHYBIVTC-YLJYHZDGSA-N 0 0 486.617 4.519 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)(F)C1 ZINC001360960335 1066119016 /nfs/dbraw/zinc/11/90/16/1066119016.db2.gz JIKQEPXTIDNLDY-UHFFFAOYSA-N 0 0 459.353 4.942 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)CC(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)cc1F ZINC001442353133 1066119075 /nfs/dbraw/zinc/11/90/75/1066119075.db2.gz NMUPHWMBNWRIMK-MRXNPFEDSA-N 0 0 453.535 4.707 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360960548 1066119791 /nfs/dbraw/zinc/11/97/91/1066119791.db2.gz PZYNDODONONQOQ-MRXNPFEDSA-N 0 0 461.271 4.969 20 0 JJADRN C[C@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC001442358633 1066119842 /nfs/dbraw/zinc/11/98/42/1066119842.db2.gz OFFDKWOPPOXCFH-SFHVURJKSA-N 0 0 459.502 4.883 20 0 JJADRN C[C@@H](CC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)c1ccccc1C(F)(F)F ZINC001442361102 1066119868 /nfs/dbraw/zinc/11/98/68/1066119868.db2.gz RPXSDWBKZHWJQF-INIZCTEOSA-N 0 0 452.904 4.766 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)s1 ZINC001442380552 1066122057 /nfs/dbraw/zinc/12/20/57/1066122057.db2.gz SNTJQWVZXUPBJV-NRFANRHFSA-N 0 0 455.580 4.709 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001360962676 1066122282 /nfs/dbraw/zinc/12/22/82/1066122282.db2.gz NYQFFQDTULNXHM-UHFFFAOYSA-N 0 0 471.886 4.571 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360962912 1066122723 /nfs/dbraw/zinc/12/27/23/1066122723.db2.gz WLRCVRVWTFAFSL-QGZVFWFLSA-N 0 0 471.989 4.994 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360964111 1066123311 /nfs/dbraw/zinc/12/33/11/1066123311.db2.gz NBKGZMYUIVAPSH-CJAUYULYSA-N 0 0 452.501 4.776 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC001442394099 1066123627 /nfs/dbraw/zinc/12/36/27/1066123627.db2.gz HYZXPIQKAJJCAE-MOPGFXCFSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1ccsc1Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001360966686 1066123984 /nfs/dbraw/zinc/12/39/84/1066123984.db2.gz AKYBQWWKXJQDIV-UHFFFAOYSA-N 0 0 488.679 4.663 20 0 JJADRN O=C(NC(Cc1ccccc1)Cc1ccccc1)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001442397912 1066124116 /nfs/dbraw/zinc/12/41/16/1066124116.db2.gz XCWZNICVALZQGK-UHFFFAOYSA-N 0 0 453.464 4.888 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001442397741 1066124149 /nfs/dbraw/zinc/12/41/49/1066124149.db2.gz RGIVYMNBNODYMG-SCTDSRPQSA-N 0 0 450.284 4.762 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001360967225 1066124411 /nfs/dbraw/zinc/12/44/11/1066124411.db2.gz DQWGNQJEBIUHHQ-JTSKRJEESA-N 0 0 453.583 4.585 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360967349 1066124549 /nfs/dbraw/zinc/12/45/49/1066124549.db2.gz MSPPEHSLLUYBDP-QGZVFWFLSA-N 0 0 461.429 4.989 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001442400769 1066124764 /nfs/dbraw/zinc/12/47/64/1066124764.db2.gz AAHXZDBINPFEFV-UHFFFAOYSA-N 0 0 458.628 4.970 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001442403408 1066125175 /nfs/dbraw/zinc/12/51/75/1066125175.db2.gz BJXXSZWKSXINPH-INYRMVIESA-N 0 0 454.998 4.976 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC001442402452 1066125232 /nfs/dbraw/zinc/12/52/32/1066125232.db2.gz MOGKUOYOWDVERT-UHFFFAOYSA-N 0 0 454.567 4.699 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccc2c(c1)C(=O)NCCO2 ZINC001360968664 1066125659 /nfs/dbraw/zinc/12/56/59/1066125659.db2.gz FLXNGWFFTHTLAE-UHFFFAOYSA-N 0 0 456.420 4.550 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001360968126 1066125678 /nfs/dbraw/zinc/12/56/78/1066125678.db2.gz ULXYUJBFKXNGTM-NHCUHLMSSA-N 0 0 487.645 4.594 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC001442405865 1066125793 /nfs/dbraw/zinc/12/57/93/1066125793.db2.gz MKAFWFOHGSIGDL-QHCPKHFHSA-N 0 0 451.567 4.546 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001442410714 1066125811 /nfs/dbraw/zinc/12/58/11/1066125811.db2.gz JUZYXQKRHVFPSO-UHFFFAOYSA-N 0 0 453.465 4.658 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC001360969659 1066126501 /nfs/dbraw/zinc/12/65/01/1066126501.db2.gz YJBAZNVLXCCPQC-FYYLOGMGSA-N 0 0 456.652 4.960 20 0 JJADRN CCC[C@@H](C(=O)NCCOC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442435566 1066126864 /nfs/dbraw/zinc/12/68/64/1066126864.db2.gz QWGHGBCRLCXWHX-DEOSSOPVSA-N 0 0 452.595 4.967 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC001360970414 1066126983 /nfs/dbraw/zinc/12/69/83/1066126983.db2.gz KOJHWPIVESLSLJ-UHFFFAOYSA-N 0 0 457.280 4.723 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360971482 1066127402 /nfs/dbraw/zinc/12/74/02/1066127402.db2.gz TUNMCYZJGKIZRO-ICSRJNTNSA-N 0 0 489.686 4.720 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)cnn1CC(C)C ZINC001360972176 1066128151 /nfs/dbraw/zinc/12/81/51/1066128151.db2.gz PWMRMSQFNNOIHZ-QHCPKHFHSA-N 0 0 468.621 4.793 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cnn1CC(C)C ZINC001360972618 1066128442 /nfs/dbraw/zinc/12/84/42/1066128442.db2.gz FQYBOGAIABIUFA-HXUWFJFHSA-N 0 0 492.594 4.743 20 0 JJADRN CC(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC001442469958 1066128553 /nfs/dbraw/zinc/12/85/53/1066128553.db2.gz RSVJRYYPGGNQPJ-UHFFFAOYSA-N 0 0 456.633 4.568 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360972598 1066128508 /nfs/dbraw/zinc/12/85/08/1066128508.db2.gz DYZZKOOXHISUGS-IBGZPJMESA-N 0 0 467.614 4.931 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3OC(C)C)n[nH]2)c1C ZINC001442466922 1066128602 /nfs/dbraw/zinc/12/86/02/1066128602.db2.gz CFVAZHIHCYTIPO-CQSZACIVSA-N 0 0 453.543 4.687 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)S[C@H](C)C2)cnn1CC(C)C ZINC001360972715 1066129141 /nfs/dbraw/zinc/12/91/41/1066129141.db2.gz IYBCXUMJTSPEEG-IAGOWNOFSA-N 0 0 474.625 4.687 20 0 JJADRN Cc1ccoc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001360972742 1066129172 /nfs/dbraw/zinc/12/91/72/1066129172.db2.gz JVLPIIQERKERRQ-UHFFFAOYSA-N 0 0 483.588 4.841 20 0 JJADRN Cc1c(Cn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)cnn1CC(C)C ZINC001360972859 1066129181 /nfs/dbraw/zinc/12/91/81/1066129181.db2.gz NYKBRMUVPPKMEN-XMMPIXPASA-N 0 0 450.631 4.734 20 0 JJADRN Cc1c(Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)cnn1CC(C)C ZINC001360972820 1066129196 /nfs/dbraw/zinc/12/91/96/1066129196.db2.gz MJVJTOQJPWZKFL-UHFFFAOYSA-N 0 0 456.635 4.549 20 0 JJADRN Cc1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)nn1-c1ccc(C)cc1 ZINC001442472779 1066129287 /nfs/dbraw/zinc/12/92/87/1066129287.db2.gz KDUQPCVWGDXCLU-QHCPKHFHSA-N 0 0 452.599 4.741 20 0 JJADRN Cc1oc2ccccc2c1Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360973169 1066129670 /nfs/dbraw/zinc/12/96/70/1066129670.db2.gz ZLZLIMPJRZZKBI-SFHVURJKSA-N 0 0 453.587 4.683 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)s1 ZINC001442476363 1066130370 /nfs/dbraw/zinc/13/03/70/1066130370.db2.gz MCFYVPBMFLPYJL-UHFFFAOYSA-N 0 0 458.584 4.939 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001442479587 1066130716 /nfs/dbraw/zinc/13/07/16/1066130716.db2.gz YGSWTRGSYXLESG-OAQYLSRUSA-N 0 0 452.599 4.945 20 0 JJADRN CC(C)CCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001442477759 1066130822 /nfs/dbraw/zinc/13/08/22/1066130822.db2.gz SWOHYSCOUGAHFZ-UHFFFAOYSA-N 0 0 459.793 4.591 20 0 JJADRN Cc1c(Cn2c(Cc3ccsc3)nnc2N(C)C[C@@H](C)c2nccs2)cnn1CC(C)C ZINC001360974541 1066131091 /nfs/dbraw/zinc/13/10/91/1066131091.db2.gz YZQRDZMGUBPKPM-QGZVFWFLSA-N 0 0 469.684 4.836 20 0 JJADRN Cc1ccoc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Br ZINC001360974313 1066131185 /nfs/dbraw/zinc/13/11/85/1066131185.db2.gz PRLYUHYSQXNDLT-UHFFFAOYSA-N 0 0 452.356 4.613 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001442495355 1066131496 /nfs/dbraw/zinc/13/14/96/1066131496.db2.gz BGNKYKLLCPEIAS-QHCPKHFHSA-N 0 0 453.464 4.721 20 0 JJADRN Cc1ccsc1Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360976100 1066131732 /nfs/dbraw/zinc/13/17/32/1066131732.db2.gz CKPIMOFXKYMGBF-UHFFFAOYSA-N 0 0 497.665 4.811 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(c2cccs2)c2cccs2)ccc1F ZINC001360975998 1066131736 /nfs/dbraw/zinc/13/17/36/1066131736.db2.gz PCMAZBSIOGLOQV-UHFFFAOYSA-N 0 0 452.598 4.545 20 0 JJADRN Cc1cc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)ccc1OCC(F)(F)F ZINC001360976211 1066132181 /nfs/dbraw/zinc/13/21/81/1066132181.db2.gz UOLSFZIHUCLUMJ-UHFFFAOYSA-N 0 0 450.457 4.923 20 0 JJADRN Cc1ccoc1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001360976523 1066132192 /nfs/dbraw/zinc/13/21/92/1066132192.db2.gz JQYJBAIUEPXMMD-NRFANRHFSA-N 0 0 479.625 4.849 20 0 JJADRN CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)c1 ZINC001442523618 1066132492 /nfs/dbraw/zinc/13/24/92/1066132492.db2.gz LMDOUUMTWNFUCL-UHFFFAOYSA-N 0 0 458.605 4.669 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC001442526408 1066132506 /nfs/dbraw/zinc/13/25/06/1066132506.db2.gz MAURGNGUSSFDEC-UHFFFAOYSA-N 0 0 453.568 4.935 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001442527694 1066132959 /nfs/dbraw/zinc/13/29/59/1066132959.db2.gz IHCLJJQPXASREI-AVRDEDQJSA-N 0 0 458.002 4.857 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001360976919 1066133111 /nfs/dbraw/zinc/13/31/11/1066133111.db2.gz YRDWTZUCJABJSV-MRXNPFEDSA-N 0 0 463.401 4.511 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001442534909 1066133612 /nfs/dbraw/zinc/13/36/12/1066133612.db2.gz XYCOLWOTMYRPKJ-FQEVSTJZSA-N 0 0 458.356 4.799 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCS[C@H](C(C)C)C2)cnn1C ZINC001360977089 1066133775 /nfs/dbraw/zinc/13/37/75/1066133775.db2.gz DLWDEDUPVWEZAU-FQEVSTJZSA-N 0 0 477.103 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001442542167 1066134705 /nfs/dbraw/zinc/13/47/05/1066134705.db2.gz GSHOTSOFBCQJTA-RTWAWAEBSA-N 0 0 452.551 4.905 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001442542153 1066134758 /nfs/dbraw/zinc/13/47/58/1066134758.db2.gz GSHOTSOFBCQJTA-LEWJYISDSA-N 0 0 452.551 4.905 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC001442542201 1066134808 /nfs/dbraw/zinc/13/48/08/1066134808.db2.gz GTKPOARQKDMOHG-RTWAWAEBSA-N 0 0 455.555 4.744 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360977570 1066135170 /nfs/dbraw/zinc/13/51/70/1066135170.db2.gz VIEUYTFBUXXUOQ-LJQANCHMSA-N 0 0 499.587 4.687 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360977548 1066135208 /nfs/dbraw/zinc/13/52/08/1066135208.db2.gz UOZCBROGSVEZTO-ROUUACIJSA-N 0 0 472.634 4.536 20 0 JJADRN C[C@@H]1CN(c2ccnc(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)c2)C[C@@H](C)O1 ZINC001442545047 1066135280 /nfs/dbraw/zinc/13/52/80/1066135280.db2.gz RUVWKUBUSWQCLL-QZTZHPFYSA-N 0 0 451.517 4.687 20 0 JJADRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(I)cc1F ZINC001442543580 1066135287 /nfs/dbraw/zinc/13/52/87/1066135287.db2.gz ZNPOMRXAIMNJKQ-KXBFYZLASA-N 0 0 453.295 4.670 20 0 JJADRN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)c2)C[C@H](C)O1 ZINC001442545050 1066135293 /nfs/dbraw/zinc/13/52/93/1066135293.db2.gz RUVWKUBUSWQCLL-RHGYRFJNSA-N 0 0 451.517 4.687 20 0 JJADRN Cc1c(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(F)F)C2)cnn1C ZINC001360977630 1066135795 /nfs/dbraw/zinc/13/57/95/1066135795.db2.gz XLZCPJZWRJMDTR-HNNXBMFYSA-N 0 0 466.989 4.796 20 0 JJADRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC001360978096 1066136112 /nfs/dbraw/zinc/13/61/12/1066136112.db2.gz LELMCYJHDKGBNT-GBXCKJPGSA-N 0 0 450.604 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3ccccc3CN3CCSCC3)c2C1 ZINC001442549551 1066136249 /nfs/dbraw/zinc/13/62/49/1066136249.db2.gz MOFJJGYWLSNFQV-UHFFFAOYSA-N 0 0 453.608 4.738 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)c2ccccc2Cl)c(OC)c1 ZINC001360978535 1066136783 /nfs/dbraw/zinc/13/67/83/1066136783.db2.gz WVXYTGPUOKEMRJ-HSZRJFAPSA-N 0 0 451.910 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001442552884 1066137295 /nfs/dbraw/zinc/13/72/95/1066137295.db2.gz ZGEMUIKOLSWFAH-NHCUHLMSSA-N 0 0 458.990 4.920 20 0 JJADRN Cc1c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCCCC2)cnn1CC(C)C ZINC001360979148 1066137587 /nfs/dbraw/zinc/13/75/87/1066137587.db2.gz KDSPJBQCPFBGEC-GRGXKFILSA-N 0 0 485.677 4.638 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC001360979775 1066138020 /nfs/dbraw/zinc/13/80/20/1066138020.db2.gz MEZURDDOANDHLP-UHFFFAOYSA-N 0 0 450.398 4.664 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3cc(Br)ccc3OC)n2)C1(C)C ZINC001360979725 1066138050 /nfs/dbraw/zinc/13/80/50/1066138050.db2.gz LXNKOVHJUXQEPY-DLBZAZTESA-N 0 0 453.402 4.857 20 0 JJADRN CC[C@H](C)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545949969 1066138434 /nfs/dbraw/zinc/13/84/34/1066138434.db2.gz IOIDPSBQAYBCDS-WGJNNHPISA-N 0 0 459.610 4.672 20 0 JJADRN Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001442568530 1066139055 /nfs/dbraw/zinc/13/90/55/1066139055.db2.gz FPOYVDFNMSGKAL-UHFFFAOYSA-N 0 0 458.896 4.760 20 0 JJADRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)C1 ZINC001442567721 1066139056 /nfs/dbraw/zinc/13/90/56/1066139056.db2.gz HZNSVDWVUFXAJR-MBSDFSHPSA-N 0 0 456.608 4.723 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001360980797 1066139095 /nfs/dbraw/zinc/13/90/95/1066139095.db2.gz HNCFCPJSIRWQAP-UHFFFAOYSA-N 0 0 487.435 4.746 20 0 JJADRN CCC1(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCN(C(=O)c2ccccc2)CC1 ZINC001360981038 1066139121 /nfs/dbraw/zinc/13/91/21/1066139121.db2.gz GCOKRIKUXPLNHR-UHFFFAOYSA-N 0 0 456.546 4.605 20 0 JJADRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001442568959 1066139558 /nfs/dbraw/zinc/13/95/58/1066139558.db2.gz IMOSHWMBKWCPSR-UHFFFAOYSA-N 0 0 451.567 4.551 20 0 JJADRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001442569933 1066139623 /nfs/dbraw/zinc/13/96/23/1066139623.db2.gz JIFCMOBXLXPFDH-UHFFFAOYSA-N 0 0 450.926 4.609 20 0 JJADRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001360981398 1066140155 /nfs/dbraw/zinc/14/01/55/1066140155.db2.gz NIWHQNCJNKKENC-UHFFFAOYSA-N 0 0 451.408 4.791 20 0 JJADRN Cc1ccc(C2(C(=O)Nc3ccc(Sc4nncn4C)c(Cl)c3)CCOCC2)cc1C ZINC001442575401 1066140157 /nfs/dbraw/zinc/14/01/57/1066140157.db2.gz VDNMPZFNLJSYKL-UHFFFAOYSA-N 0 0 456.999 4.923 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc1-c1ccccc1 ZINC001442573806 1066140223 /nfs/dbraw/zinc/14/02/23/1066140223.db2.gz SXJZFLZPMSLGIY-UHFFFAOYSA-N 0 0 451.939 4.948 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2c(C)cccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001360981912 1066140622 /nfs/dbraw/zinc/14/06/22/1066140622.db2.gz YEODIPKSFHARET-XMMPIXPASA-N 0 0 457.979 4.509 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)Oc1cccc(F)c1 ZINC001545950082 1066140758 /nfs/dbraw/zinc/14/07/58/1066140758.db2.gz KQHSMMQNZSSKGC-INIZCTEOSA-N 0 0 470.574 4.745 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)Oc1cccc(F)c1 ZINC001545950083 1066140762 /nfs/dbraw/zinc/14/07/62/1066140762.db2.gz KQHSMMQNZSSKGC-MRXNPFEDSA-N 0 0 470.574 4.745 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C ZINC001360982003 1066141171 /nfs/dbraw/zinc/14/11/71/1066141171.db2.gz XYKJVMLVQVEHLN-ZDUSSCGKSA-N 0 0 480.863 4.998 20 0 JJADRN CC[C@@H](C)Sc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c(C)c1 ZINC001442586747 1066141377 /nfs/dbraw/zinc/14/13/77/1066141377.db2.gz QEZZFWJDDHFTDE-MRXNPFEDSA-N 0 0 452.555 4.997 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360982198 1066141511 /nfs/dbraw/zinc/14/15/11/1066141511.db2.gz DFOMDAHZUMQWFY-HOTGVXAUSA-N 0 0 458.031 4.762 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001360982251 1066141526 /nfs/dbraw/zinc/14/15/26/1066141526.db2.gz GHTDJWADDGKPKJ-UHFFFAOYSA-N 0 0 463.964 4.514 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545950141 1066141734 /nfs/dbraw/zinc/14/17/34/1066141734.db2.gz LOTCKMCVBIPFNJ-NQIIRXRSSA-N 0 0 499.656 4.900 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 ZINC001360982531 1066142109 /nfs/dbraw/zinc/14/21/09/1066142109.db2.gz OAWNZELDFPZDED-RXVVDRJESA-N 0 0 490.048 4.833 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360982404 1066142215 /nfs/dbraw/zinc/14/22/15/1066142215.db2.gz LANSSUUQQRWGTI-CQSZACIVSA-N 0 0 471.936 4.904 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545950214 1066142315 /nfs/dbraw/zinc/14/23/15/1066142315.db2.gz MUUKYGYMKQRDJO-AZUAARDMSA-N 0 0 475.609 4.749 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N2C[C@@H](C)S[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001360982642 1066142800 /nfs/dbraw/zinc/14/28/00/1066142800.db2.gz QLLSMAJBODQPQB-SAHWJRBASA-N 0 0 465.063 4.659 20 0 JJADRN CCOC(=O)N1CCCN(C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)CC1 ZINC001442597124 1066142834 /nfs/dbraw/zinc/14/28/34/1066142834.db2.gz LUSGSMDLVYCGKB-UHFFFAOYSA-N 0 0 455.502 4.750 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC2CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360983362 1066143072 /nfs/dbraw/zinc/14/30/72/1066143072.db2.gz ACLPFXAICOERFY-UHFFFAOYSA-N 0 0 469.939 5.000 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001442605407 1066143930 /nfs/dbraw/zinc/14/39/30/1066143930.db2.gz CKSFFDIQYIQRQN-QAPCUYQASA-N 0 0 451.405 4.676 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1C(F)(F)F ZINC001360983691 1066144157 /nfs/dbraw/zinc/14/41/57/1066144157.db2.gz VCCQVGMVAXDRME-CVEARBPZSA-N 0 0 454.514 4.760 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360983701 1066144203 /nfs/dbraw/zinc/14/42/03/1066144203.db2.gz FQKPWSNVANJGMN-ZHALLVOQSA-N 0 0 460.022 4.645 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC001442607306 1066144207 /nfs/dbraw/zinc/14/42/07/1066144207.db2.gz JDSDZQZBDJQBRC-HXUWFJFHSA-N 0 0 455.377 4.865 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001442607134 1066144362 /nfs/dbraw/zinc/14/43/62/1066144362.db2.gz FLNRGASQFAIPLV-KQRQPNSISA-N 0 0 453.336 4.560 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001360984076 1066144870 /nfs/dbraw/zinc/14/48/70/1066144870.db2.gz MDJXAFPVYLCZOX-KKSFZXQISA-N 0 0 474.049 4.861 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001360984210 1066145299 /nfs/dbraw/zinc/14/52/99/1066145299.db2.gz PBTBMVSBFCRNAZ-SJLPKXTDSA-N 0 0 468.005 4.741 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950428 1066145302 /nfs/dbraw/zinc/14/53/02/1066145302.db2.gz PWPAJFTXFJJMFM-RTWAWAEBSA-N 0 0 457.619 4.500 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001442616665 1066145331 /nfs/dbraw/zinc/14/53/31/1066145331.db2.gz VCYSBHFROQFFQZ-UHFFFAOYSA-N 0 0 454.596 4.622 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)C3(Sc4ccccc4)CCCC3)CC2)cc1 ZINC001442617927 1066145908 /nfs/dbraw/zinc/14/59/08/1066145908.db2.gz ZCXMIQYKWJAHGZ-UHFFFAOYSA-N 0 0 452.620 4.911 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001360984349 1066145892 /nfs/dbraw/zinc/14/58/92/1066145892.db2.gz TZEXIFUQJMKMRI-IAGOWNOFSA-N 0 0 455.006 4.757 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC001442619887 1066145937 /nfs/dbraw/zinc/14/59/37/1066145937.db2.gz UGIZGDVQNHVTLR-UHFFFAOYSA-N 0 0 457.958 4.675 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1C(C)(C)C ZINC001360984450 1066146147 /nfs/dbraw/zinc/14/61/47/1066146147.db2.gz XHSCJXLXOZDSCA-GOSISDBHSA-N 0 0 483.016 4.619 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001360984524 1066146721 /nfs/dbraw/zinc/14/67/21/1066146721.db2.gz ZRTZRCXCXAGRKI-SFTDATJTSA-N 0 0 460.022 4.615 20 0 JJADRN O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)Nc1cccc(CN2CCCCC2=O)c1 ZINC001442651426 1066146904 /nfs/dbraw/zinc/14/69/04/1066146904.db2.gz QVJNCXUEXKTMJL-AREMUKBSSA-N 0 0 458.558 4.840 20 0 JJADRN COc1cc(N)c(C(=O)NC2(c3ccc(Br)cc3)CCC2)cc1Br ZINC001442651516 1066146920 /nfs/dbraw/zinc/14/69/20/1066146920.db2.gz DKHAKHYDAHRSLI-UHFFFAOYSA-N 0 0 454.162 4.612 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC001360984956 1066147087 /nfs/dbraw/zinc/14/70/87/1066147087.db2.gz MIGXZVUNKRDVPS-FQEVSTJZSA-N 0 0 457.958 4.589 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc(C(F)(F)F)c1 ZINC001442657469 1066147593 /nfs/dbraw/zinc/14/75/93/1066147593.db2.gz PFJOWKLJBFPYEU-HXUWFJFHSA-N 0 0 452.498 4.759 20 0 JJADRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001442658246 1066148082 /nfs/dbraw/zinc/14/80/82/1066148082.db2.gz IDODWOMQESPSSU-JQVVWYNYSA-N 0 0 452.599 4.920 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001442659773 1066148243 /nfs/dbraw/zinc/14/82/43/1066148243.db2.gz VFYPWMPWELWSGW-GOSISDBHSA-N 0 0 456.011 4.884 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c2ccccc21 ZINC001442662498 1066148789 /nfs/dbraw/zinc/14/87/89/1066148789.db2.gz QCUCUHLFDDZFNS-RBBKRZOGSA-N 0 0 454.542 4.872 20 0 JJADRN O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442665066 1066148842 /nfs/dbraw/zinc/14/88/42/1066148842.db2.gz HQPOZTDLYMMYKZ-AWEZNQCLSA-N 0 0 455.139 4.617 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360985991 1066149714 /nfs/dbraw/zinc/14/97/14/1066149714.db2.gz QXIGQADYIBBBEY-IBGZPJMESA-N 0 0 485.583 4.586 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccccc1NC(=O)Cc1ccccc1F ZINC001442669589 1066149957 /nfs/dbraw/zinc/14/99/57/1066149957.db2.gz RTOBFXWYJBRHLT-SFHVURJKSA-N 0 0 456.514 4.563 20 0 JJADRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442670310 1066150031 /nfs/dbraw/zinc/15/00/31/1066150031.db2.gz VCHHJCMQFCTIPY-ROUUACIJSA-N 0 0 459.167 4.780 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)sc1C ZINC001360986261 1066150225 /nfs/dbraw/zinc/15/02/25/1066150225.db2.gz YZLPPEVRRWTUFG-UHFFFAOYSA-N 0 0 496.040 4.807 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1F ZINC001442672255 1066150606 /nfs/dbraw/zinc/15/06/06/1066150606.db2.gz FRRBBNAYVDHYSK-GOSISDBHSA-N 0 0 456.514 4.943 20 0 JJADRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001442678727 1066151296 /nfs/dbraw/zinc/15/12/96/1066151296.db2.gz VXYIZCKMIMBUGU-HOCLYGCPSA-N 0 0 451.398 4.645 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545950806 1066151344 /nfs/dbraw/zinc/15/13/44/1066151344.db2.gz WMKJDLYBQJUFSM-ATLLOTDBSA-N 0 0 473.593 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCOC(C)C ZINC001360986364 1066151473 /nfs/dbraw/zinc/15/14/73/1066151473.db2.gz BVAHNGQRIRXJHP-RTBURBONSA-N 0 0 451.011 4.586 20 0 JJADRN Cc1ccc(OCCCNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442682671 1066151950 /nfs/dbraw/zinc/15/19/50/1066151950.db2.gz OCUZCYTWJLCCKL-UHFFFAOYSA-N 0 0 452.576 4.612 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1CC[C@@H]1CCCCO1 ZINC001360986475 1066152052 /nfs/dbraw/zinc/15/20/52/1066152052.db2.gz DTXVWWZLZLTSFP-NRFANRHFSA-N 0 0 467.639 4.581 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC2CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001360986393 1066152060 /nfs/dbraw/zinc/15/20/60/1066152060.db2.gz CGFVETQIGISJTH-UHFFFAOYSA-N 0 0 486.542 4.579 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC001442698583 1066152567 /nfs/dbraw/zinc/15/25/67/1066152567.db2.gz VQNBWJWTAIXBQF-QFIPXVFZSA-N 0 0 452.530 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)COC1(C)C ZINC001442698568 1066152579 /nfs/dbraw/zinc/15/25/79/1066152579.db2.gz VOLPQPAQYCRBLC-KYJSFNMBSA-N 0 0 456.505 4.830 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC1=CCCOC1 ZINC001360986545 1066152690 /nfs/dbraw/zinc/15/26/90/1066152690.db2.gz GGJCLWLJKAOWFD-PMACEKPBSA-N 0 0 475.033 4.898 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001442708191 1066153152 /nfs/dbraw/zinc/15/31/52/1066153152.db2.gz LNLAZZJDCIMRBQ-FUHWJXTLSA-N 0 0 458.274 4.874 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCc1nccnc1C ZINC001360986678 1066153727 /nfs/dbraw/zinc/15/37/27/1066153727.db2.gz JPYAKHRFCQDFMW-WOJBJXKFSA-N 0 0 485.032 4.502 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC001442710945 1066154130 /nfs/dbraw/zinc/15/41/30/1066154130.db2.gz SJKNSTVNSGKRPB-JXFKEZNVSA-N 0 0 459.384 4.779 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@]1(O)CCSC1 ZINC001360986771 1066154568 /nfs/dbraw/zinc/15/45/68/1066154568.db2.gz LOGIKTDFQCKDRO-MHECFPHRSA-N 0 0 488.057 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@]1(O)CCSC1 ZINC001360986769 1066154669 /nfs/dbraw/zinc/15/46/69/1066154669.db2.gz LOGIKTDFQCKDRO-HOYKHHGWSA-N 0 0 488.057 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CC(F)C2)n1CCc1ccn(C)n1 ZINC001360986744 1066154679 /nfs/dbraw/zinc/15/46/79/1066154679.db2.gz LBJVLOZDIIMTKL-PGYGNJIDSA-N 0 0 475.012 4.849 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442711605 1066154709 /nfs/dbraw/zinc/15/47/09/1066154709.db2.gz WZHLEGNSZJIQDF-UHFFFAOYSA-N 0 0 450.944 4.547 20 0 JJADRN Cc1c(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CCOCC2)cnn1C ZINC001360986808 1066155250 /nfs/dbraw/zinc/15/52/50/1066155250.db2.gz MQMAJLKXJHEGMK-LJQANCHMSA-N 0 0 487.048 4.793 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442720921 1066155335 /nfs/dbraw/zinc/15/53/35/1066155335.db2.gz IDYCSVFPTZLEBC-UHFFFAOYSA-N 0 0 458.345 4.809 20 0 JJADRN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718688 1066155341 /nfs/dbraw/zinc/15/53/41/1066155341.db2.gz PBENSJRVEPNOEQ-HXUWFJFHSA-N 0 0 456.999 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC1([S@@](C)=O)CC1 ZINC001360986913 1066155666 /nfs/dbraw/zinc/15/56/66/1066155666.db2.gz OQPTYKXAGMQJGQ-XBSUGVOASA-N 0 0 495.089 4.605 20 0 JJADRN C[C@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Br)s1 ZINC001442720948 1066155728 /nfs/dbraw/zinc/15/57/28/1066155728.db2.gz KTSFNCXDKOOKPD-QMMMGPOBSA-N 0 0 456.163 4.800 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@H]1CCCS1 ZINC001360987047 1066156284 /nfs/dbraw/zinc/15/62/84/1066156284.db2.gz REYBDPORZOAOEI-NZSAHSFTSA-N 0 0 451.036 4.809 20 0 JJADRN Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001442731391 1066156396 /nfs/dbraw/zinc/15/63/96/1066156396.db2.gz SYOPEPJSNNPMFF-UHFFFAOYSA-N 0 0 457.958 4.818 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCC1(C)CC1 ZINC001360987081 1066156629 /nfs/dbraw/zinc/15/66/29/1066156629.db2.gz RWRAUXOSKJUTHP-QZTJIDSGSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(C)O ZINC001360987060 1066156711 /nfs/dbraw/zinc/15/67/11/1066156711.db2.gz RMXCMNNBGCGPGA-LJQANCHMSA-N 0 0 489.064 4.836 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1C[C@@H]1CCCCO1 ZINC001360987103 1066156940 /nfs/dbraw/zinc/15/69/40/1066156940.db2.gz SGHBRLZPFBZENG-RXVVDRJESA-N 0 0 471.005 4.684 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCCn1cnnn1 ZINC001360987123 1066156954 /nfs/dbraw/zinc/15/69/54/1066156954.db2.gz SRRBSMYNUJIIQL-UXHICEINSA-N 0 0 485.036 4.558 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCCn1cnnn1 ZINC001360987122 1066156961 /nfs/dbraw/zinc/15/69/61/1066156961.db2.gz SRRBSMYNUJIIQL-PMACEKPBSA-N 0 0 485.036 4.558 20 0 JJADRN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1 ZINC001442753647 1066157177 /nfs/dbraw/zinc/15/71/77/1066157177.db2.gz XFNDTBUIBYKQQS-UHFFFAOYSA-N 0 0 457.506 4.591 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC001442758774 1066157526 /nfs/dbraw/zinc/15/75/26/1066157526.db2.gz PAAWONFVCAUWBE-UHFFFAOYSA-N 0 0 458.653 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC001442759734 1066157552 /nfs/dbraw/zinc/15/75/52/1066157552.db2.gz MECJZPIHENYGFB-VQTJNVASSA-N 0 0 454.571 4.827 20 0 JJADRN CC(C)c1c(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cnn1-c1ccccc1Cl ZINC001442758322 1066157564 /nfs/dbraw/zinc/15/75/64/1066157564.db2.gz AARYGESOAMESIK-UHFFFAOYSA-N 0 0 450.970 4.815 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@H]1CCC[C@H]1C ZINC001360987188 1066157629 /nfs/dbraw/zinc/15/76/29/1066157629.db2.gz UMZTZPXBXVLYLC-UTRMSSBJSA-N 0 0 462.038 4.825 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC001442760190 1066157864 /nfs/dbraw/zinc/15/78/64/1066157864.db2.gz SAAPXKQRGZPRLH-IBGZPJMESA-N 0 0 458.400 4.703 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cncc4nc(C(F)(F)F)n(C)c43)cc2)cc1 ZINC001442762677 1066158242 /nfs/dbraw/zinc/15/82/42/1066158242.db2.gz MREZIQVAOLEOMJ-UHFFFAOYSA-N 0 0 454.408 4.767 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC001442762858 1066158263 /nfs/dbraw/zinc/15/82/63/1066158263.db2.gz YODWNTNWBNFXIE-UHFFFAOYSA-N 0 0 453.336 4.949 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@](C)(O)C(C)C ZINC001360987505 1066158798 /nfs/dbraw/zinc/15/87/98/1066158798.db2.gz ZJSJZOMPPKLCCJ-SBUREZEXSA-N 0 0 461.994 4.720 20 0 JJADRN CC(C)n1cc2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2n1 ZINC001360988939 1066159060 /nfs/dbraw/zinc/15/90/60/1066159060.db2.gz UMBCAYCIIWMERT-FQEVSTJZSA-N 0 0 455.356 4.509 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccccc1Cl)[C@H]1CCN(c2ccccc2F)C1=O ZINC001360988551 1066159077 /nfs/dbraw/zinc/15/90/77/1066159077.db2.gz IWWGPIKINZASMY-QFIPXVFZSA-N 0 0 452.913 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCc3sccc3C2)n1CC(=O)NC(C)C ZINC001360989199 1066159780 /nfs/dbraw/zinc/15/97/80/1066159780.db2.gz AQGNHPBYXZLDJQ-KRWDZBQOSA-N 0 0 488.057 4.837 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@](C)(O)C1CC1 ZINC001360989275 1066160097 /nfs/dbraw/zinc/16/00/97/1066160097.db2.gz BSQGGQBNRSNEHR-RPPIVITFSA-N 0 0 477.049 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@]1(C)CCCS1 ZINC001360989349 1066160684 /nfs/dbraw/zinc/16/06/84/1066160684.db2.gz CUZGFQHNHDXNAH-BXKMTCNYSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCC(=O)NC(C)C ZINC001360989367 1066160687 /nfs/dbraw/zinc/16/06/87/1066160687.db2.gz DCRXYCMQNIUFLY-KFKAGJAMSA-N 0 0 462.038 4.838 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1C[C@@](C)(O)C(C)C ZINC001360989571 1066162150 /nfs/dbraw/zinc/16/21/50/1066162150.db2.gz HJKRKISBINHAHC-SBZFUYPRSA-N 0 0 491.076 4.958 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)(F)F)n1C[C@@]1(O)CCSC1 ZINC001360989639 1066162472 /nfs/dbraw/zinc/16/24/72/1066162472.db2.gz IFKIYPZEVYGZCE-QRWLVFNGSA-N 0 0 492.995 4.945 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)(F)F)n1C[C@@]1(O)CCSC1 ZINC001360989640 1066162516 /nfs/dbraw/zinc/16/25/16/1066162516.db2.gz IFKIYPZEVYGZCE-YWZLYKJASA-N 0 0 492.995 4.945 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)(F)F)n1C[C@]1(O)CCSC1 ZINC001360989638 1066162547 /nfs/dbraw/zinc/16/25/47/1066162547.db2.gz IFKIYPZEVYGZCE-MGPUTAFESA-N 0 0 492.995 4.945 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@]1(C)CCCS1 ZINC001360989653 1066162814 /nfs/dbraw/zinc/16/28/14/1066162814.db2.gz IPYRDHCPPNZFCL-GGUMNFRJSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]2C)n1CC1CCS(=O)(=O)CC1 ZINC001360989714 1066163160 /nfs/dbraw/zinc/16/31/60/1066163160.db2.gz JTGDGNDXQKQXSS-QZTJIDSGSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H]2C2CCC2)n1CCC(=O)N(C)C ZINC001360989729 1066163518 /nfs/dbraw/zinc/16/35/18/1066163518.db2.gz KAHZWNYJBWJYSO-RXVVDRJESA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCC(C)C ZINC001360989846 1066164193 /nfs/dbraw/zinc/16/41/93/1066164193.db2.gz LXWHSXZQTQQNTQ-SFHVURJKSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCCN1CCOC1=O ZINC001360989831 1066164199 /nfs/dbraw/zinc/16/41/99/1066164199.db2.gz LJTADFMNGRHRKZ-ATZDWAIDSA-N 0 0 476.021 4.765 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)O ZINC001360989826 1066164243 /nfs/dbraw/zinc/16/42/43/1066164243.db2.gz LEKSZYYUJLZIKW-QGZVFWFLSA-N 0 0 465.038 4.853 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCCOCC(F)F ZINC001360990069 1066165659 /nfs/dbraw/zinc/16/56/59/1066165659.db2.gz PNZFOGYMEUFBBH-MHECFPHRSA-N 0 0 499.002 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1OCCC1(C)C ZINC001360990139 1066165810 /nfs/dbraw/zinc/16/58/10/1066165810.db2.gz QDWKPYSIMZOLHZ-RXVVDRJESA-N 0 0 477.049 4.712 20 0 JJADRN Cc1nnsc1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001360990442 1066167792 /nfs/dbraw/zinc/16/77/92/1066167792.db2.gz VQYFAZZEBCKPNZ-HLLBOEOZSA-N 0 0 477.034 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001360990542 1066168003 /nfs/dbraw/zinc/16/80/03/1066168003.db2.gz XAJJGOKUZJBQJK-TXPKVOOTSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCCCCO ZINC001360990602 1066168502 /nfs/dbraw/zinc/16/85/02/1066168502.db2.gz XWNKDNCUYBAEAI-RTBURBONSA-N 0 0 465.038 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(F)cn1 ZINC001360990615 1066168516 /nfs/dbraw/zinc/16/85/16/1066168516.db2.gz YEQLJKWOJLPBDA-GOSISDBHSA-N 0 0 483.979 4.604 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H]3[C@H](C2)C3(C)C)n1CCCC(=O)N(C)C ZINC001360990667 1066168700 /nfs/dbraw/zinc/16/87/00/1066168700.db2.gz YUPXGJAGBOZAGL-YSIASYRMSA-N 0 0 474.049 4.649 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001360990735 1066168965 /nfs/dbraw/zinc/16/89/65/1066168965.db2.gz CIIFKVLICHTKOI-YJVWZAPGSA-N 0 0 454.998 4.833 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cccc3scnc32)c2ccc(Cl)cc2)c1 ZINC001360991042 1066169231 /nfs/dbraw/zinc/16/92/31/1066169231.db2.gz KMSFVKFKQMKCJW-FQEVSTJZSA-N 0 0 456.976 4.873 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(C)C)n1C[C@@H](C)N1CCOCC1 ZINC001360990845 1066169295 /nfs/dbraw/zinc/16/92/95/1066169295.db2.gz ZYTCPVZYWVRJAZ-RTWAWAEBSA-N 0 0 478.081 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCc1ccccn1 ZINC001360991233 1066169465 /nfs/dbraw/zinc/16/94/65/1066169465.db2.gz ASDDSWPEYUMTRX-WVBUVRCRSA-N 0 0 470.017 4.533 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1[C@@H]1C[C@H]1CF ZINC001360991214 1066169468 /nfs/dbraw/zinc/16/94/68/1066169468.db2.gz AJUOUEBBMAWNFI-SVFBPWRDSA-N 0 0 492.039 4.914 20 0 JJADRN Cc1nc(Cl)sc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001360991371 1066169791 /nfs/dbraw/zinc/16/97/91/1066169791.db2.gz QVLCYVIDLLJYCB-MRXNPFEDSA-N 0 0 455.388 4.681 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CC[S@](=O)C(C)(C)C ZINC001360991453 1066169974 /nfs/dbraw/zinc/16/99/74/1066169974.db2.gz CONOTUDUVNMZET-KNTRGWTASA-N 0 0 479.050 4.713 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(Nc2cnn(C)c2)n1CC[S@@](=O)C(C)(C)C ZINC001360991452 1066169985 /nfs/dbraw/zinc/16/99/85/1066169985.db2.gz CONOTUDUVNMZET-HEJPQYQCSA-N 0 0 479.050 4.713 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc3cccnc3c2)c2ccc(Cl)cc2)c1 ZINC001360991564 1066170241 /nfs/dbraw/zinc/17/02/41/1066170241.db2.gz UVDGGTKUMNAOEK-QHCPKHFHSA-N 0 0 450.947 4.811 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@H]2C)n1C[C@@](C)(O)c1ccsc1 ZINC001360991729 1066170572 /nfs/dbraw/zinc/17/05/72/1066170572.db2.gz FDSLOFHTOMQFCF-QZTZHPFYSA-N 0 0 491.057 4.883 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1C[C@@](C)(O)c1ccco1 ZINC001360991983 1066170818 /nfs/dbraw/zinc/17/08/18/1066170818.db2.gz HYQDENXOKJSFCP-QMHKHESXSA-N 0 0 470.961 4.666 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC3(CCC3)C2)n1CCOCC(F)F ZINC001360992008 1066171027 /nfs/dbraw/zinc/17/10/27/1066171027.db2.gz IJRISNQKNZOJNA-QGZVFWFLSA-N 0 0 484.975 4.729 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H]1OCC[C@H]1C ZINC001360992200 1066171054 /nfs/dbraw/zinc/17/10/54/1066171054.db2.gz KNTVUAPBEMLZBT-WNRRLTEBSA-N 0 0 450.986 4.908 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCSC[C@@H]2C)n1CCCC(=O)NC1CC1 ZINC001360992257 1066171311 /nfs/dbraw/zinc/17/13/11/1066171311.db2.gz LYFFRWKNKZSLII-ROUUACIJSA-N 0 0 492.089 4.689 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1CCCC(=O)NC1CC1 ZINC001360992258 1066171317 /nfs/dbraw/zinc/17/13/17/1066171317.db2.gz LYFFRWKNKZSLII-ZWKOTPCHSA-N 0 0 492.089 4.689 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@](C)(O)C(C)C ZINC001360992382 1066171862 /nfs/dbraw/zinc/17/18/62/1066171862.db2.gz NNPLOSQYSGIAOI-FZOAFFARSA-N 0 0 479.065 4.957 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCC1(O)CCC1 ZINC001360992702 1066172327 /nfs/dbraw/zinc/17/23/27/1066172327.db2.gz RIWZKVRBNWMLII-LMMKCTJWSA-N 0 0 450.986 4.788 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CCc1cccs1 ZINC001360993133 1066173027 /nfs/dbraw/zinc/17/30/27/1066173027.db2.gz ZEQJRNRIJMHXJL-KRWDZBQOSA-N 0 0 479.071 4.561 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC[C@@H]2C)n1CCCOC(F)(F)F ZINC001360993132 1066173099 /nfs/dbraw/zinc/17/30/99/1066173099.db2.gz ZDXHJCBLKTUSIK-JKSUJKDBSA-N 0 0 476.927 4.840 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC[C@@H]2C)n1CCCOC(F)(F)F ZINC001360993125 1066173136 /nfs/dbraw/zinc/17/31/36/1066173136.db2.gz ZDXHJCBLKTUSIK-HOTGVXAUSA-N 0 0 476.927 4.840 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCOc3ccc(F)cc3)CC2)c(C)o1 ZINC001360994206 1066173625 /nfs/dbraw/zinc/17/36/25/1066173625.db2.gz CNHUZTHCPOVPPR-UHFFFAOYSA-N 0 0 497.615 4.792 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3c(C)noc3C)CC2)c(C)o1 ZINC001360994746 1066174055 /nfs/dbraw/zinc/17/40/55/1066174055.db2.gz ZAJLJNHXZFFZMK-OAHLLOKOSA-N 0 0 482.629 4.593 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCc3ccccc3Cl)CC2)c(C)o1 ZINC001360994870 1066174079 /nfs/dbraw/zinc/17/40/79/1066174079.db2.gz CVFGSQAXQHDPCP-UHFFFAOYSA-N 0 0 484.044 4.981 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)c(C)o1 ZINC001360995387 1066174256 /nfs/dbraw/zinc/17/42/56/1066174256.db2.gz UOMSLCRXXVJERQ-UHFFFAOYSA-N 0 0 488.007 4.926 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3csc(C(C)C)n3)CC2)c(C)o1 ZINC001360995206 1066174296 /nfs/dbraw/zinc/17/42/96/1066174296.db2.gz QYXULSGFPNIWKT-UHFFFAOYSA-N 0 0 484.670 4.833 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCc3ccc(Cl)cc3)CC2)c(C)o1 ZINC001360995095 1066174303 /nfs/dbraw/zinc/17/43/03/1066174303.db2.gz MADQBDROTUVARX-UHFFFAOYSA-N 0 0 470.017 4.906 20 0 JJADRN CCCCN(C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)[C@H](C)c1ccccc1 ZINC001360996664 1066175124 /nfs/dbraw/zinc/17/51/24/1066175124.db2.gz PPWZIRGOGVKSFI-HXUWFJFHSA-N 0 0 452.595 4.946 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCC[C@@H]2C)c(C)o1 ZINC001360997233 1066175662 /nfs/dbraw/zinc/17/56/62/1066175662.db2.gz DCEAPOUYINEQEG-FPTDNZKUSA-N 0 0 459.388 4.814 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)o1 ZINC001360997271 1066175966 /nfs/dbraw/zinc/17/59/66/1066175966.db2.gz FCUUWQVPECCSOH-OFVILXPXSA-N 0 0 490.551 4.698 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(C)o1 ZINC001360997273 1066175988 /nfs/dbraw/zinc/17/59/88/1066175988.db2.gz FCUUWQVPECCSOH-SQJMNOBHSA-N 0 0 490.551 4.698 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)[C@@H]2CCOC2)c(C)o1 ZINC001360997379 1066175998 /nfs/dbraw/zinc/17/59/98/1066175998.db2.gz GRPZJRZILNZASB-AMGIVPHBSA-N 0 0 482.625 4.713 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCCO2)c(C)o1 ZINC001360997383 1066176160 /nfs/dbraw/zinc/17/61/60/1066176160.db2.gz GVHFAUNWNPAGIQ-IATMXGELSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC001360997543 1066176414 /nfs/dbraw/zinc/17/64/14/1066176414.db2.gz JORDJBDLFHREHM-QYBDOPJKSA-N 0 0 481.597 4.673 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC2CC(F)C2)c(C)o1 ZINC001360997675 1066176415 /nfs/dbraw/zinc/17/64/15/1066176415.db2.gz MJWSPMWUVHQKAY-HJMRYINQSA-N 0 0 478.515 4.848 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCC[C@@H](C)C2)c(C)o1 ZINC001360998002 1066177031 /nfs/dbraw/zinc/17/70/31/1066177031.db2.gz SFDMOPARUJITKQ-CRYYWNKWSA-N 0 0 479.625 4.891 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998248 1066177499 /nfs/dbraw/zinc/17/74/99/1066177499.db2.gz XUMNARROYDEZST-AFMDSPMNSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2c(C)noc2C)c(C)o1 ZINC001360998251 1066177518 /nfs/dbraw/zinc/17/75/18/1066177518.db2.gz XUMNARROYDEZST-SIBVEZHUSA-N 0 0 497.571 4.916 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C)o1 ZINC001360998578 1066178002 /nfs/dbraw/zinc/17/80/02/1066178002.db2.gz DPEYEQSANNBNJU-NIYFSFCBSA-N 0 0 484.645 4.875 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccc(Cl)cc2)c(C)o1 ZINC001360999628 1066178167 /nfs/dbraw/zinc/17/81/67/1066178167.db2.gz NQBLJLCMAZSAPF-RUZDIDTESA-N 0 0 481.984 4.626 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3C)nnc2N(C)Cc2cnc(C)s2)c(C)o1 ZINC001361000144 1066178398 /nfs/dbraw/zinc/17/83/98/1066178398.db2.gz RUFCENRIVUSJHK-DEOSSOPVSA-N 0 0 451.596 4.772 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)c(C)o1 ZINC001361000012 1066178416 /nfs/dbraw/zinc/17/84/16/1066178416.db2.gz QWODCEGLOZOKRI-FQEVSTJZSA-N 0 0 480.516 4.502 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N(Cc2ccco2)C[C@@H]2CCCO2)c(C)o1 ZINC001361000349 1066178578 /nfs/dbraw/zinc/17/85/78/1066178578.db2.gz TZWKQIFUBVJQSQ-HFZDXXHNSA-N 0 0 470.614 4.763 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(C)C)c2)c(C)o1 ZINC001361000468 1066178596 /nfs/dbraw/zinc/17/85/96/1066178596.db2.gz UVTUVFHSBZRLEG-AMGIVPHBSA-N 0 0 482.625 4.713 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3C)nnc2N2CC[C@@H](OCC(C)C)C2)c(C)o1 ZINC001361000632 1066178789 /nfs/dbraw/zinc/17/87/89/1066178789.db2.gz XFZUBIXJXGRGDV-RLWLMLJZSA-N 0 0 452.599 4.622 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3C)nnc2N2CC[C@H](OCC(C)C)C2)c(C)o1 ZINC001361000630 1066178828 /nfs/dbraw/zinc/17/88/28/1066178828.db2.gz XFZUBIXJXGRGDV-LVXARBLLSA-N 0 0 452.599 4.622 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC001361000827 1066178833 /nfs/dbraw/zinc/17/88/33/1066178833.db2.gz AZIDUWUIVKELOA-KBXCAEBGSA-N 0 0 459.686 4.552 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](OCC(C)C)C2)c(C)o1 ZINC001361002174 1066179274 /nfs/dbraw/zinc/17/92/74/1066179274.db2.gz BGYQGNOFEMWVGG-CUBQBAPOSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CCCC2)c(C)o1 ZINC001361002599 1066179545 /nfs/dbraw/zinc/17/95/45/1066179545.db2.gz GLFNOVLPDCRLBG-VWLOTQADSA-N 0 0 458.553 4.891 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC3CCCC3)nnc2N2CCC(OC(C)(C)C)CC2)c(C)o1 ZINC001361002722 1066179709 /nfs/dbraw/zinc/17/97/09/1066179709.db2.gz GZIUADVZHSQPFU-SANMLTNESA-N 0 0 458.647 4.912 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C(C)C)C2)c(C)o1 ZINC001361002848 1066179765 /nfs/dbraw/zinc/17/97/65/1066179765.db2.gz JPNMSLIPNGCAAW-BVZFJXPGSA-N 0 0 458.553 4.747 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(N3CCN([C@@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002976 1066179972 /nfs/dbraw/zinc/17/99/72/1066179972.db2.gz LVNINHYOWHSXGF-BVZFJXPGSA-N 0 0 471.671 4.638 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)CC[C@H]2C)c(C)o1 ZINC001361002891 1066179989 /nfs/dbraw/zinc/17/99/89/1066179989.db2.gz KBPUKNAGIIDYCZ-GNBJCERTSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Cl)s2)c(C)o1 ZINC001361003046 1066180228 /nfs/dbraw/zinc/18/02/28/1066180228.db2.gz NAMWDYBEKJSDQB-QHCPKHFHSA-N 0 0 472.014 4.733 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(F)F)C2)c(C)o1 ZINC001361003023 1066180232 /nfs/dbraw/zinc/18/02/32/1066180232.db2.gz MTTKEYYWDOTUKF-HTAPYJJXSA-N 0 0 450.555 4.529 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)c(C)o1 ZINC001361003161 1066180434 /nfs/dbraw/zinc/18/04/34/1066180434.db2.gz PMUFRXLUZLXIGK-GJZUVCINSA-N 0 0 452.599 4.642 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(C)o1 ZINC001361003212 1066180448 /nfs/dbraw/zinc/18/04/48/1066180448.db2.gz QIJVWFRWHCHDND-RRPNLBNLSA-N 0 0 484.616 4.767 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cc(Cl)ccn2)c(C)o1 ZINC001361003200 1066180528 /nfs/dbraw/zinc/18/05/28/1066180528.db2.gz QDNRRGPAVPEOKT-VWLOTQADSA-N 0 0 483.975 4.810 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)c(C)o1 ZINC001361003388 1066181103 /nfs/dbraw/zinc/18/11/03/1066181103.db2.gz TUHDJTFKNWQNES-QHCPKHFHSA-N 0 0 478.490 4.824 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCCc2ccccn2)c(C)o1 ZINC001361003548 1066181192 /nfs/dbraw/zinc/18/11/92/1066181192.db2.gz XAPZZKDRAMEHPQ-MHZLTWQESA-N 0 0 495.574 4.729 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001361003893 1066181978 /nfs/dbraw/zinc/18/19/78/1066181978.db2.gz DOTZNIHHURFDOF-IBGZPJMESA-N 0 0 481.044 4.800 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)c3cccc(C)c3)C2)n1 ZINC001361004727 1066183005 /nfs/dbraw/zinc/18/30/05/1066183005.db2.gz RQVYJZQXIIVXMA-GHTZIAJQSA-N 0 0 466.655 4.677 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361004842 1066183089 /nfs/dbraw/zinc/18/30/89/1066183089.db2.gz UMJWXPCYNPNCPH-ICSRJNTNSA-N 0 0 459.516 5.000 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@H](C)C2)c(C)o1 ZINC001361004956 1066183101 /nfs/dbraw/zinc/18/31/01/1066183101.db2.gz WFEQKFJGTRJFKK-YHCVVASESA-N 0 0 487.645 4.560 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001361004841 1066183108 /nfs/dbraw/zinc/18/31/08/1066183108.db2.gz UMJWXPCYNPNCPH-AZUAARDMSA-N 0 0 459.516 5.000 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)c1 ZINC001361004969 1066183493 /nfs/dbraw/zinc/18/34/93/1066183493.db2.gz WNQDPQWOOPNXCL-GOSISDBHSA-N 0 0 463.548 4.795 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCOC2)c1 ZINC001361005085 1066183506 /nfs/dbraw/zinc/18/35/06/1066183506.db2.gz YNJUZFQYVFLYOY-IRXDYDNUSA-N 0 0 458.404 4.621 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCOC2)c1 ZINC001361005084 1066183518 /nfs/dbraw/zinc/18/35/18/1066183518.db2.gz YNJUZFQYVFLYOY-IAGOWNOFSA-N 0 0 458.404 4.621 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361005020 1066183528 /nfs/dbraw/zinc/18/35/28/1066183528.db2.gz XMGBTSMPGOUCMG-KOSHJBKYSA-N 0 0 473.543 4.982 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@H]2CCCO[C@H]2C(C)C)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001361006131 1066184670 /nfs/dbraw/zinc/18/46/70/1066184670.db2.gz JNNDEIJFCSAWKG-MMOPVJDHSA-N 0 0 454.011 4.567 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCO[C@H]2C(C)C)c1 ZINC001361006725 1066185249 /nfs/dbraw/zinc/18/52/49/1066185249.db2.gz WGBQVXKRPJGVGD-KOSHJBKYSA-N 0 0 456.608 4.607 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001361006727 1066185298 /nfs/dbraw/zinc/18/52/98/1066185298.db2.gz WGBQVXKRPJGVGD-MHECFPHRSA-N 0 0 456.608 4.607 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)c1 ZINC001361006813 1066185759 /nfs/dbraw/zinc/18/57/59/1066185759.db2.gz ARVANPVXYAEVJH-KRWDZBQOSA-N 0 0 458.532 4.960 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC001361007044 1066185795 /nfs/dbraw/zinc/18/57/95/1066185795.db2.gz DDQQJOGSICOGBE-XZOQPEGZSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001361007395 1066186555 /nfs/dbraw/zinc/18/65/55/1066186555.db2.gz KBWNQDDEDAYLER-GHTZIAJQSA-N 0 0 493.574 4.527 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1C ZINC001361007536 1066186983 /nfs/dbraw/zinc/18/69/83/1066186983.db2.gz NFOJKXPPOBQHHC-GOEBONIOSA-N 0 0 458.488 4.536 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001361007761 1066187027 /nfs/dbraw/zinc/18/70/27/1066187027.db2.gz BXUBHIWPHGRUQK-IBGZPJMESA-N 0 0 488.558 4.780 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001361007763 1066187042 /nfs/dbraw/zinc/18/70/42/1066187042.db2.gz BXUBHIWPHGRUQK-LJQANCHMSA-N 0 0 488.558 4.780 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1 ZINC001361007451 1066187051 /nfs/dbraw/zinc/18/70/51/1066187051.db2.gz KZIWCJWETBBVKR-MRXNPFEDSA-N 0 0 472.515 4.927 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001361007792 1066187605 /nfs/dbraw/zinc/18/76/05/1066187605.db2.gz POQLNFBWPCDGKK-XPNTWCBSSA-N 0 0 483.657 4.730 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC001361008087 1066188158 /nfs/dbraw/zinc/18/81/58/1066188158.db2.gz SZDIHAUSLGATOK-JOCHJYFZSA-N 0 0 451.659 4.818 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001361008061 1066188211 /nfs/dbraw/zinc/18/82/11/1066188211.db2.gz HFCFUFYKOTVSIT-NRFANRHFSA-N 0 0 493.574 4.638 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCO2)nnc1N1CCC=C(Br)C1 ZINC001361008233 1066188789 /nfs/dbraw/zinc/18/87/89/1066188789.db2.gz JWEKJROFNAYHBI-QGZVFWFLSA-N 0 0 471.321 4.994 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361008327 1066189302 /nfs/dbraw/zinc/18/93/02/1066189302.db2.gz WNVKRYOHJCDXBD-UGKGYDQZSA-N 0 0 453.631 4.836 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001361008399 1066189364 /nfs/dbraw/zinc/18/93/64/1066189364.db2.gz MCJRPZUFCKZGHP-GOSISDBHSA-N 0 0 465.520 4.634 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC001361008690 1066190552 /nfs/dbraw/zinc/19/05/52/1066190552.db2.gz ZQZWEAHCCUWBAW-DHIUTWEWSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001361008807 1066190774 /nfs/dbraw/zinc/19/07/74/1066190774.db2.gz UJLPGYDPHATXLE-IAOVAPTHSA-N 0 0 478.437 4.661 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC001361009695 1066191996 /nfs/dbraw/zinc/19/19/96/1066191996.db2.gz FPGYOLXLQBHXOV-UHFFFAOYSA-N 0 0 455.299 4.663 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@H](C)Oc3ccccc3OC)nn2-c2ccccc2)cc1 ZINC001361009872 1066192020 /nfs/dbraw/zinc/19/20/20/1066192020.db2.gz JCPVQGLPVMSTGL-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1 ZINC001361011171 1066194020 /nfs/dbraw/zinc/19/40/20/1066194020.db2.gz KSDKVDJSSXTRJQ-NRFANRHFSA-N 0 0 476.625 4.759 20 0 JJADRN Cc1cc(C)c(Cn2c(C3CC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361011093 1066194187 /nfs/dbraw/zinc/19/41/87/1066194187.db2.gz IGNYHDFIXXBXNW-CTNGQTDRSA-N 0 0 453.631 4.869 20 0 JJADRN Cc1cc(C)c(Cn2c(CC(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)c(C)c1 ZINC001361011659 1066194722 /nfs/dbraw/zinc/19/47/22/1066194722.db2.gz YWPBDXCEZHNMBN-UHFFFAOYSA-N 0 0 455.647 4.755 20 0 JJADRN Cc1cc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c(C)c1 ZINC001361011779 1066195499 /nfs/dbraw/zinc/19/54/99/1066195499.db2.gz DEPNBOXIUCDNLC-ISKFKSNPSA-N 0 0 495.712 4.865 20 0 JJADRN Cc1cc(C)c(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c(C)c1 ZINC001361011813 1066195599 /nfs/dbraw/zinc/19/55/99/1066195599.db2.gz FJYBNOWDWSESAC-UHFFFAOYSA-N 0 0 480.682 4.534 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2CCc2cccc(C)n2)o1 ZINC001361012011 1066196022 /nfs/dbraw/zinc/19/60/22/1066196022.db2.gz LZSYTIDLHKTFGV-UHFFFAOYSA-N 0 0 472.593 4.793 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361012038 1066196048 /nfs/dbraw/zinc/19/60/48/1066196048.db2.gz MSKWIJSGLJEPKV-COPRSSIGSA-N 0 0 483.657 4.636 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001361012084 1066196734 /nfs/dbraw/zinc/19/67/34/1066196734.db2.gz OKTWPUBUIMOQEN-HSZRJFAPSA-N 0 0 483.657 4.939 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)c2cn(CCc3ccccc3)nn2)c1)c1ccccc1 ZINC001361012746 1066198077 /nfs/dbraw/zinc/19/80/77/1066198077.db2.gz OXGLFRXQVVBAJN-UHFFFAOYSA-N 0 0 459.937 4.703 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)c2nccs2)c(C)c1 ZINC001361014053 1066199555 /nfs/dbraw/zinc/19/95/55/1066199555.db2.gz FJAFDLPKPWANGY-IBGZPJMESA-N 0 0 489.649 4.909 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCCC2(C)C)c(C)c1 ZINC001361014198 1066200292 /nfs/dbraw/zinc/20/02/92/1066200292.db2.gz JXICLLZKCCPCJN-MHZLTWQESA-N 0 0 495.693 4.872 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(C)CCCS2)c(C)c1 ZINC001361014258 1066200659 /nfs/dbraw/zinc/20/06/59/1066200659.db2.gz LFMLWQYXUODROV-AREMUKBSSA-N 0 0 478.666 4.934 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC2(F)CCC2)c(C)c1 ZINC001361014440 1066200665 /nfs/dbraw/zinc/20/06/65/1066200665.db2.gz NWDFYSZDDKNXIZ-UHFFFAOYSA-N 0 0 464.589 4.546 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[C@H]2CCCCO2)c(C)c1 ZINC001361014721 1066201816 /nfs/dbraw/zinc/20/18/16/1066201816.db2.gz TUPTWWMLTNRSKK-DHIUTWEWSA-N 0 0 483.657 4.522 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCC(F)(F)CC2)c(C)c1 ZINC001361015120 1066202748 /nfs/dbraw/zinc/20/27/48/1066202748.db2.gz ZXYZNINZDDMIAK-HXUWFJFHSA-N 0 0 475.584 4.608 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CC3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361015165 1066202885 /nfs/dbraw/zinc/20/28/85/1066202885.db2.gz OZKWZKDXJQYWMW-UHFFFAOYSA-N 0 0 453.631 4.899 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@H]2CCC[C@H]2C)n1 ZINC001361015479 1066203317 /nfs/dbraw/zinc/20/33/17/1066203317.db2.gz ZOHHNVGLZQMJQK-JPYJTQIMSA-N 0 0 477.657 4.576 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cccnc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC001361015280 1066203367 /nfs/dbraw/zinc/20/33/67/1066203367.db2.gz SOYQDZVYDZEMGG-UHFFFAOYSA-N 0 0 476.625 4.504 20 0 JJADRN Cc1cc(C)cc(CCn2c(C(C)C)nnc2N2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC001361015295 1066203415 /nfs/dbraw/zinc/20/34/15/1066203415.db2.gz TYUKKBUXIMNPKJ-UHFFFAOYSA-N 0 0 451.659 4.926 20 0 JJADRN Cc1cc(C)cc(CCn2c(Nc3cnn(C)c3)nnc2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001361016492 1066204341 /nfs/dbraw/zinc/20/43/41/1066204341.db2.gz CDBQGYZTRAANCA-UHFFFAOYSA-N 0 0 479.629 4.729 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)(C)C)nnc2N2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC001361017009 1066204877 /nfs/dbraw/zinc/20/48/77/1066204877.db2.gz JDHSWRIDSYKLJW-HSZRJFAPSA-N 0 0 454.659 4.748 20 0 JJADRN Cc1cc(C)cc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCO[C@H](C)C2)c1 ZINC001361016918 1066204956 /nfs/dbraw/zinc/20/49/56/1066204956.db2.gz HQKQFHXFPBETKD-JOCHJYFZSA-N 0 0 497.684 4.867 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361017209 1066205545 /nfs/dbraw/zinc/20/55/45/1066205545.db2.gz MHGPUPWNHZKTBO-HKBOAZHASA-N 0 0 476.687 4.558 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCCC2(C)C)c1 ZINC001361017212 1066205705 /nfs/dbraw/zinc/20/57/05/1066205705.db2.gz MHGPUPWNHZKTBO-QHAWAJNXSA-N 0 0 476.687 4.558 20 0 JJADRN Cc1cc(C)cc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)c1 ZINC001361017334 1066206357 /nfs/dbraw/zinc/20/63/57/1066206357.db2.gz PXDFGUFAHRGXIK-ISJGIBHGSA-N 0 0 484.685 4.686 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001361017710 1066206772 /nfs/dbraw/zinc/20/67/72/1066206772.db2.gz AXTDUONUQSQESJ-WIYYLYMNSA-N 0 0 476.687 4.702 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361018139 1066207505 /nfs/dbraw/zinc/20/75/05/1066207505.db2.gz IONFQBOQHJVFBK-LJQANCHMSA-N 0 0 457.619 4.576 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361018512 1066207898 /nfs/dbraw/zinc/20/78/98/1066207898.db2.gz OHRJBVVDCMPQQC-HXUWFJFHSA-N 0 0 469.630 4.720 20 0 JJADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001361019091 1066209139 /nfs/dbraw/zinc/20/91/39/1066209139.db2.gz QSDIQMCKJSHQEX-HKBQPEDESA-N 0 0 453.951 4.795 20 0 JJADRN CSc1ccccc1N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC001361019482 1066209975 /nfs/dbraw/zinc/20/99/75/1066209975.db2.gz YXOONGJTIHFSAX-OAHLLOKOSA-N 0 0 452.363 4.583 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC001361020742 1066211138 /nfs/dbraw/zinc/21/11/38/1066211138.db2.gz FYAXQXZPKNYLNH-SFHVURJKSA-N 0 0 499.578 4.975 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361020831 1066211966 /nfs/dbraw/zinc/21/19/66/1066211966.db2.gz JROLATQPUBEYLA-JTHBVZDNSA-N 0 0 478.641 4.696 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@@H]2CCO[C@H](C)C2)c1 ZINC001361021150 1066213767 /nfs/dbraw/zinc/21/37/67/1066213767.db2.gz RLJHTQDATAZWFH-WOJBJXKFSA-N 0 0 455.628 4.772 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001361021149 1066213967 /nfs/dbraw/zinc/21/39/67/1066213967.db2.gz RLJHTQDATAZWFH-VQTJNVASSA-N 0 0 455.628 4.772 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)Br ZINC001361021365 1066214366 /nfs/dbraw/zinc/21/43/66/1066214366.db2.gz VWBUCYYGCHWEJS-UHFFFAOYSA-N 0 0 484.345 4.703 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@](C)(O)c2cccs2)c1 ZINC001361021569 1066215021 /nfs/dbraw/zinc/21/50/21/1066215021.db2.gz ZIUXQZYQJMIIBU-QHCPKHFHSA-N 0 0 469.636 4.536 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2snnc2C)c1 ZINC001361021537 1066215204 /nfs/dbraw/zinc/21/52/04/1066215204.db2.gz YGHRDWQNAQDXAG-UHFFFAOYSA-N 0 0 454.625 4.688 20 0 JJADRN Cc1nc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCc2nccs2)sc1C ZINC001361022059 1066215605 /nfs/dbraw/zinc/21/56/05/1066215605.db2.gz FAUKVZMHTMCVGK-UHFFFAOYSA-N 0 0 468.652 4.731 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361021912 1066215692 /nfs/dbraw/zinc/21/56/92/1066215692.db2.gz AHUAQNHMKHLSND-HHHXNRCGSA-N 0 0 470.658 4.668 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccnc(C(F)(F)F)c2)c1 ZINC001361022220 1066216926 /nfs/dbraw/zinc/21/69/26/1066216926.db2.gz JJXIYKOUUONFIV-FQEVSTJZSA-N 0 0 489.542 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)c2nccs2)c1 ZINC001361022344 1066217255 /nfs/dbraw/zinc/21/72/55/1066217255.db2.gz NMAZCQMMHLKEEJ-HXUWFJFHSA-N 0 0 469.655 4.987 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001361022301 1066217425 /nfs/dbraw/zinc/21/74/25/1066217425.db2.gz MGFFLEOZDFZRPR-FQEVSTJZSA-N 0 0 471.646 4.871 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001361022356 1066218013 /nfs/dbraw/zinc/21/80/13/1066218013.db2.gz NYFAOBDCCPWLAX-UHFFFAOYSA-N 0 0 489.636 4.962 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC(=O)NC2CCCCC2)c1 ZINC001361022671 1066218828 /nfs/dbraw/zinc/21/88/28/1066218828.db2.gz YESDGINWKPTPRC-JOCHJYFZSA-N 0 0 465.642 4.715 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2CCc2cn3ccccc3n2)c1 ZINC001361022714 1066219098 /nfs/dbraw/zinc/21/90/98/1066219098.db2.gz ZWHUXWRAYHSCCJ-UHFFFAOYSA-N 0 0 472.515 4.753 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361022682 1066219399 /nfs/dbraw/zinc/21/93/99/1066219399.db2.gz YLURVHDOLSAXCR-HXUWFJFHSA-N 0 0 469.655 4.965 20 0 JJADRN COc1ccc([C@H](C)CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361023812 1066219878 /nfs/dbraw/zinc/21/98/78/1066219878.db2.gz QDRRRVJCZOFCPR-CRICUBBOSA-N 0 0 455.551 4.637 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CC2(C)C)c1 ZINC001361024108 1066221179 /nfs/dbraw/zinc/22/11/79/1066221179.db2.gz IDDRAXDUEJZYCE-VWPQPMDRSA-N 0 0 483.657 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361024076 1066221246 /nfs/dbraw/zinc/22/12/46/1066221246.db2.gz HFCJHGVPWQLYLQ-HXUWFJFHSA-N 0 0 455.647 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)c1 ZINC001361024105 1066221287 /nfs/dbraw/zinc/22/12/87/1066221287.db2.gz IDDRAXDUEJZYCE-JAXLGGSGSA-N 0 0 483.657 4.869 20 0 JJADRN Nc1cc(C(F)(F)F)ccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001442780548 1066221912 /nfs/dbraw/zinc/22/19/12/1066221912.db2.gz OGPYQLBGCGZERW-UHFFFAOYSA-N 0 0 457.290 4.528 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361024462 1066222031 /nfs/dbraw/zinc/22/20/31/1066222031.db2.gz MICXDBUHFWUBLX-FQRUVTKNSA-N 0 0 452.599 4.847 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@]1(C)Cc1cccc2ccccc21)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001453928903 1066221973 /nfs/dbraw/zinc/22/19/73/1066221973.db2.gz DZWOLWKEMZMAPD-UHORWHLBSA-N 0 0 454.611 4.627 20 0 JJADRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442793573 1066222542 /nfs/dbraw/zinc/22/25/42/1066222542.db2.gz CXEUBIJZMQKZMX-ZFVVBOAOSA-N 0 0 454.514 4.501 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001442791401 1066222571 /nfs/dbraw/zinc/22/25/71/1066222571.db2.gz ZSGUIJAYZPXRTM-SZLZGVTBSA-N 0 0 455.839 4.847 20 0 JJADRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442793563 1066222638 /nfs/dbraw/zinc/22/26/38/1066222638.db2.gz CXEUBIJZMQKZMX-VJUNAUMWSA-N 0 0 454.514 4.501 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cs1 ZINC001361024615 1066222641 /nfs/dbraw/zinc/22/26/41/1066222641.db2.gz NWZBZMXWPGDKME-OXJNMPFZSA-N 0 0 495.571 4.638 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCCC2CCOCC2)c1 ZINC001361024800 1066222694 /nfs/dbraw/zinc/22/26/94/1066222694.db2.gz QFXZPSLKINSPDL-KNQAVFIVSA-N 0 0 496.574 4.837 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 ZINC001361025521 1066223887 /nfs/dbraw/zinc/22/38/87/1066223887.db2.gz GOGNXAXUCIXBFW-AWEZNQCLSA-N 0 0 455.769 4.707 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C(C)C)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361025143 1066224038 /nfs/dbraw/zinc/22/40/38/1066224038.db2.gz XQMPBWDQCRJPAV-UHFFFAOYSA-N 0 0 459.635 4.869 20 0 JJADRN Cc1cc([C@@H]2CCN(C(=O)Cc3ccccc3I)C2)c(O)cc1Cl ZINC001453943294 1066223952 /nfs/dbraw/zinc/22/39/52/1066223952.db2.gz IXTZWQHVSRCILP-CQSZACIVSA-N 0 0 455.723 4.517 20 0 JJADRN CN(CC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C(=O)c1cccs1 ZINC001361025334 1066224074 /nfs/dbraw/zinc/22/40/74/1066224074.db2.gz BRVHEVSZGUDFOT-UHFFFAOYSA-N 0 0 459.365 4.800 20 0 JJADRN CC(C)(CNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@]1(O)CCCOC1 ZINC001453952366 1066224483 /nfs/dbraw/zinc/22/44/83/1066224483.db2.gz PUXFBTUHJRBUGD-HSZRJFAPSA-N 0 0 452.378 4.870 20 0 JJADRN Cc1cc([C@H]2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)C2)c(O)cc1Cl ZINC001453948152 1066224590 /nfs/dbraw/zinc/22/45/90/1066224590.db2.gz PKQSBQSDJVJVKP-INIZCTEOSA-N 0 0 455.967 4.621 20 0 JJADRN CN(C)C(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC001361026163 1066225230 /nfs/dbraw/zinc/22/52/30/1066225230.db2.gz ZYRPZGHLXOYUCL-UHFFFAOYSA-N 0 0 453.336 4.982 20 0 JJADRN CCCCCSc1nc2ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc2s1 ZINC001361026040 1066225401 /nfs/dbraw/zinc/22/54/01/1066225401.db2.gz WTUKWZOOHLRDJN-UHFFFAOYSA-N 0 0 455.671 4.579 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001361025817 1066225472 /nfs/dbraw/zinc/22/54/72/1066225472.db2.gz QBVNEXGHORCJAW-UHFFFAOYSA-N 0 0 459.413 4.856 20 0 JJADRN O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCOc2ccc(O)cc2C1 ZINC001453957548 1066225638 /nfs/dbraw/zinc/22/56/38/1066225638.db2.gz FMEAVINHANSNPO-UHFFFAOYSA-N 0 0 454.320 4.769 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)O1 ZINC001546056467 1066226381 /nfs/dbraw/zinc/22/63/81/1066226381.db2.gz GEIKJMJNVKUCQC-ORVPSHMPSA-N 0 0 462.585 4.975 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN2CCCCC2=O)c1 ZINC001361026675 1066226862 /nfs/dbraw/zinc/22/68/62/1066226862.db2.gz FEMYHWQJMJVLQY-JOCHJYFZSA-N 0 0 467.658 4.749 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545952139 1066226954 /nfs/dbraw/zinc/22/69/54/1066226954.db2.gz HXXIGPRCPSGJES-RDJZCZTQSA-N 0 0 483.535 4.706 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)CC3)n2CCOc2ncccc2Cl)c1 ZINC001361026877 1066227469 /nfs/dbraw/zinc/22/74/69/1066227469.db2.gz IKJZPESJZZHNQX-UHFFFAOYSA-N 0 0 455.990 4.838 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361026859 1066227563 /nfs/dbraw/zinc/22/75/63/1066227563.db2.gz IFNABVXZYKXYPJ-NJDAHSKKSA-N 0 0 471.646 4.869 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1)Nc1cccc(F)c1 ZINC001442822794 1066227706 /nfs/dbraw/zinc/22/77/06/1066227706.db2.gz HAOHPDOXZBNXGY-ONGXBYRLSA-N 0 0 461.484 4.591 20 0 JJADRN CC(C)c1nocc1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442825005 1066227798 /nfs/dbraw/zinc/22/77/98/1066227798.db2.gz RHAOLZFSDJPCQO-SFHVURJKSA-N 0 0 457.527 4.607 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(F)(F)CC2)c(C)o1 ZINC001361027055 1066228223 /nfs/dbraw/zinc/22/82/23/1066228223.db2.gz KZIBGACBYTYXAI-DEOSSOPVSA-N 0 0 474.552 4.827 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545952235 1066228526 /nfs/dbraw/zinc/22/85/26/1066228526.db2.gz JBRINEBDZWCCDV-SLYNCCJLSA-N 0 0 470.593 4.939 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccco2)c1 ZINC001361027272 1066228789 /nfs/dbraw/zinc/22/87/89/1066228789.db2.gz AKEKQJFXYFHTEA-LEWJYISDSA-N 0 0 495.624 4.855 20 0 JJADRN Cc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001361027134 1066228829 /nfs/dbraw/zinc/22/88/29/1066228829.db2.gz OVNWHUVLBGAXGF-AREMUKBSSA-N 0 0 451.588 4.772 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)/C(=C\c2ccccc2)C(F)(F)F)c2ccccc2)c1 ZINC001361027096 1066229083 /nfs/dbraw/zinc/22/90/83/1066229083.db2.gz NKUPNCNCSJGEEP-VAZXNAHHSA-N 0 0 459.489 4.942 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N(CCN1CCOCC1)CC1CC1 ZINC001453984063 1066229235 /nfs/dbraw/zinc/22/92/35/1066229235.db2.gz MOOXFQFMVNRTNZ-QKSZAEPWSA-N 0 0 451.438 4.763 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001453987731 1066229853 /nfs/dbraw/zinc/22/98/53/1066229853.db2.gz MVPVXWCXBYUITE-FQEVSTJZSA-N 0 0 455.942 4.676 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)O1 ZINC001546056582 1066229938 /nfs/dbraw/zinc/22/99/38/1066229938.db2.gz HOAQNXNITFOFCY-ISJBWFOZSA-N 0 0 456.631 4.862 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC001442836459 1066229984 /nfs/dbraw/zinc/22/99/84/1066229984.db2.gz RRLPSPUTFUOBOA-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC001453991543 1066230591 /nfs/dbraw/zinc/23/05/91/1066230591.db2.gz XMGNIAPJEFAPPC-KSFYIVLOSA-N 0 0 456.533 4.959 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2cc(C)sc2Br)c(F)cc1F ZINC001442845335 1066230672 /nfs/dbraw/zinc/23/06/72/1066230672.db2.gz YIMZZYVZNMJNAP-UHFFFAOYSA-N 0 0 453.330 4.501 20 0 JJADRN CCC(CC)(CNC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001453991963 1066230719 /nfs/dbraw/zinc/23/07/19/1066230719.db2.gz YYJVQBNWJZSLTH-KRWDZBQOSA-N 0 0 458.578 4.761 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)O1 ZINC001546057208 1066231181 /nfs/dbraw/zinc/23/11/81/1066231181.db2.gz OTTAXURTYJRQPF-MOSBNWHCSA-N 0 0 497.684 4.857 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)[nH]c21 ZINC001442854925 1066231395 /nfs/dbraw/zinc/23/13/95/1066231395.db2.gz IKVSNWVNYMLFKW-UHFFFAOYSA-N 0 0 458.331 4.869 20 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CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545952840 1066245118 /nfs/dbraw/zinc/24/51/18/1066245118.db2.gz PGLPUMDQIZWIMT-NQIIRXRSSA-N 0 0 485.629 4.812 20 0 JJADRN C[C@@H](O)[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 ZINC001454100112 1066245507 /nfs/dbraw/zinc/24/55/07/1066245507.db2.gz JSAQGSLGKVPIBH-IIBYNOLFSA-N 0 0 451.348 4.632 20 0 JJADRN C[C@H](O)[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 ZINC001454100100 1066245543 /nfs/dbraw/zinc/24/55/43/1066245543.db2.gz JSAQGSLGKVPIBH-HRAATJIYSA-N 0 0 451.348 4.632 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1C[C@@H](CC)Oc1ccccc1F ZINC001545952902 1066246209 /nfs/dbraw/zinc/24/62/09/1066246209.db2.gz QLYGFZRGLIWJHO-WIYYLYMNSA-N 0 0 481.620 4.522 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC001442961914 1066246984 /nfs/dbraw/zinc/24/69/84/1066246984.db2.gz SEULKEYESAEDJR-FQEVSTJZSA-N 0 0 458.562 4.904 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001454112558 1066247159 /nfs/dbraw/zinc/24/71/59/1066247159.db2.gz AEPQUPYKBXYGQC-RUZDIDTESA-N 0 0 451.592 4.646 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1noc2ccc(Br)cc12)[C@H](O)c1ccc(Cl)cc1 ZINC001454109914 1066247244 /nfs/dbraw/zinc/24/72/44/1066247244.db2.gz RIIMQMIFLKFGJT-VQTJNVASSA-N 0 0 451.748 4.661 20 0 JJADRN CC(C)(C)n1c2ccccc2nc1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001442970350 1066247774 /nfs/dbraw/zinc/24/77/74/1066247774.db2.gz VADVNTIRWIARSG-INIZCTEOSA-N 0 0 455.356 4.545 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2CCCC(F)(F)F)c1 ZINC001361032929 1066248170 /nfs/dbraw/zinc/24/81/70/1066248170.db2.gz WEQSADMTJHZIEO-WOJBJXKFSA-N 0 0 452.521 4.964 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001546058183 1066249266 /nfs/dbraw/zinc/24/92/66/1066249266.db2.gz GFGBKXHYVKBRCJ-UHFFFAOYSA-N 0 0 459.518 4.701 20 0 JJADRN Cc1cc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)c(C)n1-c1cnn(C)c1 ZINC001454139868 1066249506 /nfs/dbraw/zinc/24/95/06/1066249506.db2.gz XFVHPZDQCVWSEU-UHFFFAOYSA-N 0 0 456.369 4.966 20 0 JJADRN C[C@H](OCCc1ccccc1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361033361 1066249580 /nfs/dbraw/zinc/24/95/80/1066249580.db2.gz QKWMZLPLBSVQES-AVRWGWEMSA-N 0 0 451.950 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC001442987468 1066250584 /nfs/dbraw/zinc/25/05/84/1066250584.db2.gz VFQYSBJIORUBBT-QHCPKHFHSA-N 0 0 455.574 4.972 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC(C)(C)C)c1 ZINC001361034787 1066251045 /nfs/dbraw/zinc/25/10/45/1066251045.db2.gz DBSZEWTVSHQCNV-UHFFFAOYSA-N 0 0 484.689 4.930 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361034988 1066251534 /nfs/dbraw/zinc/25/15/34/1066251534.db2.gz LUOATNKPQUKVGW-FGZHOGPDSA-N 0 0 467.658 4.605 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC001454183929 1066251895 /nfs/dbraw/zinc/25/18/95/1066251895.db2.gz OTWNNSLYMACEGO-SANMLTNESA-N 0 0 454.777 4.585 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361035045 1066252224 /nfs/dbraw/zinc/25/22/24/1066252224.db2.gz NURYZSJKOXZDHX-MXVIHJGJSA-N 0 0 483.554 4.687 20 0 JJADRN Cc1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cs1 ZINC001361035071 1066252302 /nfs/dbraw/zinc/25/23/02/1066252302.db2.gz OWAVDPHEEKZMJJ-UHFFFAOYSA-N 0 0 497.665 4.807 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCO[C@H]2CCCC[C@@H]2C)c1 ZINC001361035043 1066252575 /nfs/dbraw/zinc/25/25/75/1066252575.db2.gz NPTHHQAWXUPILU-ZDXQCDESSA-N 0 0 456.631 4.684 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC001443010637 1066252519 /nfs/dbraw/zinc/25/25/19/1066252519.db2.gz GURBDJQDBUPMQI-CQSZACIVSA-N 0 0 451.296 4.809 20 0 JJADRN CC(C)(C)OC(=O)NCC1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 ZINC001443010910 1066252593 /nfs/dbraw/zinc/25/25/93/1066252593.db2.gz JXKOVTKSBLBMEF-UHFFFAOYSA-N 0 0 452.527 4.542 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)c2)no1 ZINC001443010890 1066252760 /nfs/dbraw/zinc/25/27/60/1066252760.db2.gz JPUNGLYFDHYHHQ-UHFFFAOYSA-N 0 0 456.587 4.702 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545953109 1066253496 /nfs/dbraw/zinc/25/34/96/1066253496.db2.gz UDUKFVVINLUMSY-POAQFYNOSA-N 0 0 494.036 4.600 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)cs2)c(OCC(F)(F)F)c1 ZINC001443014071 1066253522 /nfs/dbraw/zinc/25/35/22/1066253522.db2.gz GSIIRWOQRPLMJG-UHFFFAOYSA-N 0 0 450.438 4.719 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC2=CCCCC2)c1 ZINC001361035309 1066253682 /nfs/dbraw/zinc/25/36/82/1066253682.db2.gz BWWJDXKDBSDMBE-UHFFFAOYSA-N 0 0 465.642 4.669 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001443018444 1066254053 /nfs/dbraw/zinc/25/40/53/1066254053.db2.gz AEVIYFAOFPUALP-UHFFFAOYSA-N 0 0 452.580 4.530 20 0 JJADRN CCN(C(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001454203617 1066254034 /nfs/dbraw/zinc/25/40/34/1066254034.db2.gz NHZINWWPTJTYPX-SFHVURJKSA-N 0 0 451.489 4.546 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(CCc3ccccc3)Cc3ccncc3)c2)n1 ZINC001443016976 1066254287 /nfs/dbraw/zinc/25/42/87/1066254287.db2.gz OXUNNAWQCFMYRO-UHFFFAOYSA-N 0 0 453.546 4.823 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(C)o1 ZINC001361035774 1066254304 /nfs/dbraw/zinc/25/43/04/1066254304.db2.gz NCHFDQWKLUGJTR-CUBQBAPOSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC(C)(C)C2CC2)c1 ZINC001361035712 1066254697 /nfs/dbraw/zinc/25/46/97/1066254697.db2.gz KTQIUXRGUDEYJD-QFIPXVFZSA-N 0 0 481.685 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ncccc2OCC2CCCCC2)C1 ZINC001443019440 1066254706 /nfs/dbraw/zinc/25/47/06/1066254706.db2.gz WSQCMHMLKXZUAG-KRWDZBQOSA-N 0 0 453.530 4.872 20 0 JJADRN COc1cccc(CC2(C(=O)N3CCC(NC(=O)c4cc(C)oc4C)CC3)CCCCC2)c1 ZINC001443022044 1066255024 /nfs/dbraw/zinc/25/50/24/1066255024.db2.gz XQEUSCDVVITYGR-UHFFFAOYSA-N 0 0 452.595 4.819 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CCSCC(C)C)c1 ZINC001361035779 1066255262 /nfs/dbraw/zinc/25/52/62/1066255262.db2.gz NDOBBKOWRHZWAB-UHFFFAOYSA-N 0 0 498.672 4.724 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC001454217383 1066255478 /nfs/dbraw/zinc/25/54/78/1066255478.db2.gz JMZPGFCVLWUVQB-GFCCVEGCSA-N 0 0 458.747 4.964 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454221403 1066255543 /nfs/dbraw/zinc/25/55/43/1066255543.db2.gz PSFXDJJBBFEFNV-CQSZACIVSA-N 0 0 454.939 4.508 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545953272 1066255534 /nfs/dbraw/zinc/25/55/34/1066255534.db2.gz VWNHCWUYZPGHSE-UYAOXDASSA-N 0 0 472.634 4.962 20 0 JJADRN CC(=O)CCc1ccc(OCCC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)cc1 ZINC001454221604 1066255593 /nfs/dbraw/zinc/25/55/93/1066255593.db2.gz XMAGSTWSIDCSLB-UHFFFAOYSA-N 0 0 459.590 4.774 20 0 JJADRN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454221402 1066255677 /nfs/dbraw/zinc/25/56/77/1066255677.db2.gz PSFXDJJBBFEFNV-AWEZNQCLSA-N 0 0 454.939 4.508 20 0 JJADRN CO[C@](C)(C(=O)NCC1(c2ccc(Br)cc2)CCCCC1)C(=O)OC(C)(C)C ZINC001361037718 1066255900 /nfs/dbraw/zinc/25/59/00/1066255900.db2.gz ORIIHVQQYPAHBK-OAQYLSRUSA-N 0 0 454.405 4.514 20 0 JJADRN Cn1cnc(-c2ccc(C(=O)NCC3(c4ccc(Br)cc4)CCCCC3)cc2)n1 ZINC001361037600 1066256021 /nfs/dbraw/zinc/25/60/21/1066256021.db2.gz LPCAMLHGVPPPKN-UHFFFAOYSA-N 0 0 453.384 4.877 20 0 JJADRN Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001443026172 1066256146 /nfs/dbraw/zinc/25/61/46/1066256146.db2.gz GXNXDWXAHSGLGN-UHFFFAOYSA-N 0 0 458.530 4.782 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)O1 ZINC001546058831 1066256160 /nfs/dbraw/zinc/25/61/60/1066256160.db2.gz ASOUMNMRFXONAV-GTPNXJITSA-N 0 0 491.677 4.702 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4cc(C)cc(C)c4)n3CC(C)(C)C(C)C)CCO2)n1 ZINC001361038253 1066256511 /nfs/dbraw/zinc/25/65/11/1066256511.db2.gz GOXGMNSJJCUCPX-VWLOTQADSA-N 0 0 494.684 4.875 20 0 JJADRN C/C(=C\c1ccc(Br)o1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001443033254 1066256696 /nfs/dbraw/zinc/25/66/96/1066256696.db2.gz XIHSQBRPSDYYDD-ONOODXEBSA-N 0 0 455.146 4.808 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001443033250 1066256762 /nfs/dbraw/zinc/25/67/62/1066256762.db2.gz XIHSQBRPSDYYDD-CKDIWJPDSA-N 0 0 455.146 4.808 20 0 JJADRN CN(C)[C@H](C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1cccc(Cl)c1 ZINC001454239177 1066256991 /nfs/dbraw/zinc/25/69/91/1066256991.db2.gz FTNKNCAUKRCGKP-QHCPKHFHSA-N 0 0 454.977 4.879 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H]2CCSC2)c1 ZINC001361038285 1066257099 /nfs/dbraw/zinc/25/70/99/1066257099.db2.gz HDKFCPPGWIENHX-NBGIEHNGSA-N 0 0 458.672 4.868 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N(C)Cc2ccon2)O1 ZINC001546058937 1066257765 /nfs/dbraw/zinc/25/77/65/1066257765.db2.gz CGYIRVLZOJEJLK-FDDCHVKYSA-N 0 0 457.600 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC001454256615 1066258509 /nfs/dbraw/zinc/25/85/09/1066258509.db2.gz WLLWYXGTFJOQCY-HSZRJFAPSA-N 0 0 450.579 4.919 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2CCC(F)(F)CC2)c1 ZINC001361038894 1066258665 /nfs/dbraw/zinc/25/86/65/1066258665.db2.gz SAYCLXNDVCOZDX-HSZRJFAPSA-N 0 0 492.611 4.930 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)c2)C1 ZINC001443050962 1066258955 /nfs/dbraw/zinc/25/89/55/1066258955.db2.gz QCZDFKZCUJGXCR-XPNTWCBSSA-N 0 0 454.636 4.763 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)NCC3(c4ccc(Cl)cc4)CCC3)cc2CN1C(=O)OC(C)(C)C ZINC001443052739 1066259121 /nfs/dbraw/zinc/25/91/21/1066259121.db2.gz XKUZFANUZQMYFV-MRXNPFEDSA-N 0 0 458.990 4.527 20 0 JJADRN COc1cccc(Cn2c(NC(=O)C(F)(F)Oc3ccc(C=O)cc3)nc3ccccc32)c1 ZINC001443052933 1066259189 /nfs/dbraw/zinc/25/91/89/1066259189.db2.gz QGGSHZHCQWGXGD-UHFFFAOYSA-N 0 0 451.429 4.516 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)c2)C1 ZINC001443050941 1066259265 /nfs/dbraw/zinc/25/92/65/1066259265.db2.gz QCZDFKZCUJGXCR-MQSCRBSSSA-N 0 0 454.636 4.763 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)Cc2ccccc2)O1 ZINC001546059064 1066259206 /nfs/dbraw/zinc/25/92/06/1066259206.db2.gz DVBJKPVAAGAPPV-DVAKJLRASA-N 0 0 470.658 4.543 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(N(CCO)Cc3ccc(Br)s3)nnc2C(C)(C)C)O1 ZINC001546059079 1066259269 /nfs/dbraw/zinc/25/92/69/1066259269.db2.gz FDFQCFSSJSKZSV-VFNWGFHPSA-N 0 0 485.492 4.746 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1 ZINC001443054599 1066259674 /nfs/dbraw/zinc/25/96/74/1066259674.db2.gz MULPQMULKUWNBP-UHFFFAOYSA-N 0 0 452.894 4.813 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCc2cccc(C)n2)c1 ZINC001361039150 1066259763 /nfs/dbraw/zinc/25/97/63/1066259763.db2.gz YPLJUMXTFDHHMD-NRFANRHFSA-N 0 0 451.640 4.752 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)c2cc3c(cccc3Br)[nH]2)CCCCC1 ZINC001454265759 1066259781 /nfs/dbraw/zinc/25/97/81/1066259781.db2.gz NWVXNQBOLWGDIE-UHFFFAOYSA-N 0 0 450.377 4.888 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1C ZINC001443054181 1066259696 /nfs/dbraw/zinc/25/96/96/1066259696.db2.gz NXWQMBUVWIFJRN-KRWDZBQOSA-N 0 0 452.624 4.935 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2)c1ccccc1 ZINC001443054679 1066259891 /nfs/dbraw/zinc/25/98/91/1066259891.db2.gz OPMBHGNEBIXTSL-CYBMUJFWSA-N 0 0 453.424 4.720 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)n1 ZINC001443054341 1066259910 /nfs/dbraw/zinc/25/99/10/1066259910.db2.gz XLJSKLHMDLRWEC-UHFFFAOYSA-N 0 0 459.550 4.947 20 0 JJADRN Cc1ccc(C(=O)NCC[C@H]2CCCS2)cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001454263866 1066260148 /nfs/dbraw/zinc/26/01/48/1066260148.db2.gz MXMZNMBBPIZPSH-MRXNPFEDSA-N 0 0 456.992 4.604 20 0 JJADRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443057382 1066260597 /nfs/dbraw/zinc/26/05/97/1066260597.db2.gz UABOARDNZWMQPR-JTSKRJEESA-N 0 0 451.567 4.810 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361039357 1066260517 /nfs/dbraw/zinc/26/05/17/1066260517.db2.gz FTZBALKZFMVSNJ-MXEMCNAFSA-N 0 0 462.585 4.874 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccsc2)c1 ZINC001361039376 1066260636 /nfs/dbraw/zinc/26/06/36/1066260636.db2.gz GBLUYDURNNAAGX-OAQYLSRUSA-N 0 0 453.612 4.515 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC001443058132 1066261048 /nfs/dbraw/zinc/26/10/48/1066261048.db2.gz FUTTUCUBHCFTKA-QHCPKHFHSA-N 0 0 453.897 4.932 20 0 JJADRN CCCc1nc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)nn1-c1ccccc1F ZINC001443058342 1066261075 /nfs/dbraw/zinc/26/10/75/1066261075.db2.gz LVWDKQKNEPKWIG-QGZVFWFLSA-N 0 0 455.965 4.577 20 0 JJADRN CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC001443057690 1066261091 /nfs/dbraw/zinc/26/10/91/1066261091.db2.gz WGWDBDJYAAUIOY-SFHVURJKSA-N 0 0 453.764 4.723 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)C1 ZINC001443059166 1066261680 /nfs/dbraw/zinc/26/16/80/1066261680.db2.gz PERUHQLJSBBSDV-ICSRJNTNSA-N 0 0 452.039 4.920 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCOc2cc(C)cc(C)c2)c1 ZINC001361039689 1066261725 /nfs/dbraw/zinc/26/17/25/1066261725.db2.gz QONKHBVUSQGTIC-UHFFFAOYSA-N 0 0 476.606 4.628 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)c1F ZINC001454271399 1066262383 /nfs/dbraw/zinc/26/23/83/1066262383.db2.gz SRQZQJNNBYTWDR-UHFFFAOYSA-N 0 0 454.292 4.900 20 0 JJADRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001443068091 1066262642 /nfs/dbraw/zinc/26/26/42/1066262642.db2.gz GBNLNIFIQIFFJE-OAQYLSRUSA-N 0 0 458.393 4.955 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)C2=O ZINC001443069985 1066262668 /nfs/dbraw/zinc/26/26/68/1066262668.db2.gz HJRWQBXCWKDJJL-HXOBKFHXSA-N 0 0 452.982 4.941 20 0 JJADRN COC(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)(OC)c1ccccc1 ZINC001454274841 1066263157 /nfs/dbraw/zinc/26/31/57/1066263157.db2.gz ICYQUQUWKXCCTN-OAQYLSRUSA-N 0 0 456.583 4.541 20 0 JJADRN Cc1ccc(C(=O)N2CCC(NC(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 ZINC001443083987 1066263322 /nfs/dbraw/zinc/26/33/22/1066263322.db2.gz CMECFVQUBUSBFI-UHFFFAOYSA-N 0 0 457.361 4.522 20 0 JJADRN Cc1cc2c(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)n[nH]c2c(Br)c1 ZINC001454278628 1066263730 /nfs/dbraw/zinc/26/37/30/1066263730.db2.gz XISAQKTYOBMJJE-CYBMUJFWSA-N 0 0 453.381 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC001361041041 1066263796 /nfs/dbraw/zinc/26/37/96/1066263796.db2.gz OPLUFZUFYBROIA-MOPGFXCFSA-N 0 0 450.023 4.852 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CCOCC1 ZINC001361040795 1066263812 /nfs/dbraw/zinc/26/38/12/1066263812.db2.gz IGMLQKZSGURRQL-UHFFFAOYSA-N 0 0 455.445 4.751 20 0 JJADRN CCOCCOc1ccc(Cl)cc1NC(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C ZINC001443085928 1066263842 /nfs/dbraw/zinc/26/38/42/1066263842.db2.gz GSCVRXAKRPKMQV-UHFFFAOYSA-N 0 0 452.935 4.934 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)O1 ZINC001546059355 1066264262 /nfs/dbraw/zinc/26/42/62/1066264262.db2.gz IXMOUPMNGNBKGS-AHCFMSJYSA-N 0 0 491.677 4.702 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC001443087792 1066264842 /nfs/dbraw/zinc/26/48/42/1066264842.db2.gz OETFMOLGDBHBBS-INIZCTEOSA-N 0 0 459.566 4.785 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N[C@H](C)[C@@H](OC)c3ccccc3Cl)nnc2[C@@H]2CCOC2)O1 ZINC001546059409 1066265142 /nfs/dbraw/zinc/26/51/42/1066265142.db2.gz JWMORFNKVAGEGY-FNHWOCLLSA-N 0 0 463.022 4.971 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc(Nc2nccs2)cc1F ZINC001443090261 1066265257 /nfs/dbraw/zinc/26/52/57/1066265257.db2.gz LKZXXDLGYZPJBA-UHFFFAOYSA-N 0 0 456.568 4.776 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001443092110 1066265491 /nfs/dbraw/zinc/26/54/91/1066265491.db2.gz UBQKWYBOJOMDDE-DEOSSOPVSA-N 0 0 452.595 4.726 20 0 JJADRN O=C(Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1c[nH]cc1-c1ccccc1F ZINC001454293274 1066265614 /nfs/dbraw/zinc/26/56/14/1066265614.db2.gz AUQIMNOOEQSQCE-CQSZACIVSA-N 0 0 458.331 4.654 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccc(C)o2)O1 ZINC001546059450 1066265625 /nfs/dbraw/zinc/26/56/25/1066265625.db2.gz KIWOPWGXHHOQHB-KGQOEIRESA-N 0 0 487.645 4.934 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Br)o2)c1 ZINC001361042149 1066265651 /nfs/dbraw/zinc/26/56/51/1066265651.db2.gz UEDQWNDWLPOXAW-UHFFFAOYSA-N 0 0 496.409 4.952 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361042332 1066266067 /nfs/dbraw/zinc/26/60/67/1066266067.db2.gz ZJMJFUJVJOCAQX-OAQYLSRUSA-N 0 0 483.657 4.983 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H]2CCCOC2)c1 ZINC001361042320 1066266123 /nfs/dbraw/zinc/26/61/23/1066266123.db2.gz AMUJCUKIYIAHAF-QPTUXGOLSA-N 0 0 470.658 4.755 20 0 JJADRN Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042276 1066266262 /nfs/dbraw/zinc/26/62/62/1066266262.db2.gz YKNKZGZQKDPPFD-HSZRJFAPSA-N 0 0 468.564 4.702 20 0 JJADRN Cc1ccc(CCC(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)cc1Cl ZINC001454296081 1066266359 /nfs/dbraw/zinc/26/63/59/1066266359.db2.gz HGEJJQMXJIVZGM-INIZCTEOSA-N 0 0 451.792 4.801 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C)C2)c1 ZINC001361042663 1066266629 /nfs/dbraw/zinc/26/66/29/1066266629.db2.gz LTPDRTYNKYPVHR-YUXAGFNASA-N 0 0 483.657 4.981 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)[C@](C)(O)c3ccc(Cl)cc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001443098326 1066266657 /nfs/dbraw/zinc/26/66/57/1066266657.db2.gz BGVGBFHWDZFIKH-HKZYLEAXSA-N 0 0 456.892 4.819 20 0 JJADRN COc1ccccc1C[C@@](C)(CO)NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1 ZINC001454299188 1066267194 /nfs/dbraw/zinc/26/71/94/1066267194.db2.gz ARZRWLHWWOYAIA-NDEPHWFRSA-N 0 0 455.558 4.580 20 0 JJADRN Cc1cc(C)cc(OCCn2c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361043017 1066267353 /nfs/dbraw/zinc/26/73/53/1066267353.db2.gz YHFMWVBWGKNGBR-FQEVSTJZSA-N 0 0 471.646 4.765 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)O[C@H](C)C2 ZINC001443099619 1066267305 /nfs/dbraw/zinc/26/73/05/1066267305.db2.gz DTXNWDZUUCLHPM-GFCCVEGCSA-N 0 0 457.880 4.594 20 0 JJADRN COC(=O)Nc1cc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)ccc1F ZINC001443099567 1066267464 /nfs/dbraw/zinc/26/74/64/1066267464.db2.gz MPYCNFHUNGELJN-NRFANRHFSA-N 0 0 451.454 4.610 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 ZINC001443100584 1066267921 /nfs/dbraw/zinc/26/79/21/1066267921.db2.gz GWCUUKFOPQYHGM-KKSFZXQISA-N 0 0 458.986 4.523 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(CC(C)(C)C)n3CCSCc3ccccc3)CC2)n1 ZINC001361044733 1066268091 /nfs/dbraw/zinc/26/80/91/1066268091.db2.gz CPCLVDRJVLTONR-UHFFFAOYSA-N 0 0 479.698 4.534 20 0 JJADRN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001443100473 1066268177 /nfs/dbraw/zinc/26/81/77/1066268177.db2.gz OBERHUXVLKDXAP-NRFANRHFSA-N 0 0 452.551 4.802 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)O1 ZINC001546059628 1066268150 /nfs/dbraw/zinc/26/81/50/1066268150.db2.gz NHVKPDWSZWRDOO-XLGIIRLISA-N 0 0 485.698 4.531 20 0 JJADRN COc1cc(C(=O)NCCn2cncc2-c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC001454313618 1066268622 /nfs/dbraw/zinc/26/86/22/1066268622.db2.gz PDHSTJBTJHEMCE-UHFFFAOYSA-N 0 0 457.530 4.576 20 0 JJADRN CC(C)OC1CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)C1 ZINC001454310344 1066268928 /nfs/dbraw/zinc/26/89/28/1066268928.db2.gz DTUJQAUYPCMECE-XMMPIXPASA-N 0 0 450.579 4.576 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCCN(Cc2cscn2)CC1 ZINC001443105438 1066269391 /nfs/dbraw/zinc/26/93/91/1066269391.db2.gz BILXEZLZWKQHET-UHFFFAOYSA-N 0 0 451.379 4.761 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)Cn1c(C)c(Br)c3ccccc31)O[C@@H](C)C2 ZINC001443104253 1066269699 /nfs/dbraw/zinc/26/96/99/1066269699.db2.gz UGWLGORGTGIMIO-AWEZNQCLSA-N 0 0 457.368 4.751 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2=CCCCC2)c2ccccc2n1 ZINC001361045320 1066269971 /nfs/dbraw/zinc/26/99/71/1066269971.db2.gz TYZVQLHLHOHHAR-MOPGFXCFSA-N 0 0 467.639 4.560 20 0 JJADRN CC(C)(CNC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)c1ccccc1Cl ZINC001443123787 1066270805 /nfs/dbraw/zinc/27/08/05/1066270805.db2.gz IOYORVQMLWSKKZ-UHFFFAOYSA-N 0 0 450.892 4.893 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)O1 ZINC001546059906 1066271055 /nfs/dbraw/zinc/27/10/55/1066271055.db2.gz SLBZSGNDMHGQKY-FNVKUIRWSA-N 0 0 475.678 4.879 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545954603 1066271117 /nfs/dbraw/zinc/27/11/17/1066271117.db2.gz HPQNZQKYOZQJMN-BDTNDASRSA-N 0 0 471.646 4.739 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)c1 ZINC001454335522 1066271746 /nfs/dbraw/zinc/27/17/46/1066271746.db2.gz DXORWOAVWQDDAE-RUZDIDTESA-N 0 0 450.608 4.609 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)c2ccccc2)cc1OC ZINC001443126675 1066271717 /nfs/dbraw/zinc/27/17/17/1066271717.db2.gz AIKHBBLPRFLJQV-QHCPKHFHSA-N 0 0 458.562 4.559 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)c2ccccc2)cc1OC ZINC001443126673 1066271856 /nfs/dbraw/zinc/27/18/56/1066271856.db2.gz AIKHBBLPRFLJQV-HSZRJFAPSA-N 0 0 458.562 4.559 20 0 JJADRN CCn1c(Br)ncc1C(=O)N[C@H](C)Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001443137650 1066272231 /nfs/dbraw/zinc/27/22/31/1066272231.db2.gz PQHYIVJZZNVMDI-QGZVFWFLSA-N 0 0 456.384 4.914 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001454341304 1066272230 /nfs/dbraw/zinc/27/22/30/1066272230.db2.gz XYZGYKIMUKAXCS-URXFXBBRSA-N 0 0 455.396 4.734 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2n1 ZINC001361045830 1066272251 /nfs/dbraw/zinc/27/22/51/1066272251.db2.gz LKDCQZKNBWNFET-SFHVURJKSA-N 0 0 460.548 4.778 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@](C)(O)C(C)C ZINC001361045857 1066272493 /nfs/dbraw/zinc/27/24/93/1066272493.db2.gz LYTUGBCGOGGJDJ-XMMPIXPASA-N 0 0 450.612 4.610 20 0 JJADRN CC[C@@H](c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](CC)OC)c1ccccc1 ZINC001545954663 1066272793 /nfs/dbraw/zinc/27/27/93/1066272793.db2.gz IRESXSRKPZWUPQ-RBUKOAKNSA-N 0 0 474.531 4.617 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCOc1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001443142514 1066273161 /nfs/dbraw/zinc/27/31/61/1066273161.db2.gz RXHAQFAKCCZENQ-MHECFPHRSA-N 0 0 458.002 4.879 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccco3)n2CCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045906 1066273107 /nfs/dbraw/zinc/27/31/07/1066273107.db2.gz NZSDJOWWJOBIDM-UHFFFAOYSA-N 0 0 476.581 4.898 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCC(C)(C)O)c2ccccc2n1 ZINC001361045916 1066273124 /nfs/dbraw/zinc/27/31/24/1066273124.db2.gz OKFDPHQNHNDLAG-UHFFFAOYSA-N 0 0 450.974 4.648 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443151549 1066273870 /nfs/dbraw/zinc/27/38/70/1066273870.db2.gz ALFFIBAPDTVFDD-SANMLTNESA-N 0 0 456.558 4.616 20 0 JJADRN Cc1nnc(SCC(=O)Nc2ccccc2SC(=O)N(C)C)n1-c1cc(C)ccc1C ZINC001443153025 1066274310 /nfs/dbraw/zinc/27/43/10/1066274310.db2.gz QODQKFRAVRTQBS-UHFFFAOYSA-N 0 0 455.609 4.697 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Nc3cnn(C)c3)nnc2-c2cc(OC)ccc2Br)O1 ZINC001546060372 1066274635 /nfs/dbraw/zinc/27/46/35/1066274635.db2.gz ZCBNSPGJDGYLCH-IERDGZPVSA-N 0 0 475.391 4.541 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001443152050 1066274637 /nfs/dbraw/zinc/27/46/37/1066274637.db2.gz AOMQPDIABDIYEK-UHFFFAOYSA-N 0 0 453.420 4.640 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Br)c(Cl)c2F)o1 ZINC001361046319 1066275239 /nfs/dbraw/zinc/27/52/39/1066275239.db2.gz BYSGACKQSQJSJI-HNNXBMFYSA-N 0 0 450.695 4.873 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC(F)F)n2CCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361046198 1066275271 /nfs/dbraw/zinc/27/52/71/1066275271.db2.gz YPTKTKMIGXBMES-UHFFFAOYSA-N 0 0 474.556 4.760 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cccnc1OCc1ccccc1F ZINC001361046475 1066275670 /nfs/dbraw/zinc/27/56/70/1066275670.db2.gz FKEAJWKJKMUUSW-LAUBAEHRSA-N 0 0 457.546 4.708 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cccnc1OCc1ccccc1F ZINC001361046476 1066275862 /nfs/dbraw/zinc/27/58/62/1066275862.db2.gz FKEAJWKJKMUUSW-UTKZUKDTSA-N 0 0 457.546 4.708 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001443162137 1066276020 /nfs/dbraw/zinc/27/60/20/1066276020.db2.gz NEXGKXANYQDVJU-OAQYLSRUSA-N 0 0 455.530 4.639 20 0 JJADRN COc1cncc(N2CCN(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1 ZINC001454379329 1066276590 /nfs/dbraw/zinc/27/65/90/1066276590.db2.gz FRQSFXXHQIPSSZ-UHFFFAOYSA-N 0 0 453.627 4.672 20 0 JJADRN Cc1cc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCCC(F)(F)F)c2ccccc2n1 ZINC001361048391 1066277084 /nfs/dbraw/zinc/27/70/84/1066277084.db2.gz BCGQUHPTZCAQTH-UHFFFAOYSA-N 0 0 474.531 4.626 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545955107 1066277864 /nfs/dbraw/zinc/27/78/64/1066277864.db2.gz PDASKDYKYXFTQX-DYESRHJHSA-N 0 0 475.609 4.713 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545955089 1066277997 /nfs/dbraw/zinc/27/79/97/1066277997.db2.gz OWVWKJAAABSIDX-VXKWHMMOSA-N 0 0 483.657 4.740 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)n1 ZINC001443189486 1066278086 /nfs/dbraw/zinc/27/80/86/1066278086.db2.gz QQPGPVUQIUUEJW-UHFFFAOYSA-N 0 0 458.946 4.586 20 0 JJADRN Cc1cc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@H]2CC[C@H](C)C2)c2ccccc2n1 ZINC001361048667 1066278456 /nfs/dbraw/zinc/27/84/56/1066278456.db2.gz FWPOIZJAEZLZBZ-PKOBYXMFSA-N 0 0 491.558 4.616 20 0 JJADRN NC(=O)[C@@H](F)C1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 ZINC001454404110 1066278448 /nfs/dbraw/zinc/27/84/48/1066278448.db2.gz YEJLLDOODXNTSZ-IBGZPJMESA-N 0 0 455.382 4.961 20 0 JJADRN CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545955324 1066278507 /nfs/dbraw/zinc/27/85/07/1066278507.db2.gz SJSODPMNMCZCLD-ZEQRLZLVSA-N 0 0 490.652 4.804 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@H](C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361048703 1066278530 /nfs/dbraw/zinc/27/85/30/1066278530.db2.gz GUQLPJMZHAHKIC-INIZCTEOSA-N 0 0 486.567 4.808 20 0 JJADRN COc1cc(C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1O ZINC001443200021 1066278628 /nfs/dbraw/zinc/27/86/28/1066278628.db2.gz AHWZDPTWPLIHJD-UHFFFAOYSA-N 0 0 455.820 4.828 20 0 JJADRN CC(C)(C)c1cnc(CCC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)o1 ZINC001443198419 1066278685 /nfs/dbraw/zinc/27/86/85/1066278685.db2.gz FLJGWSBLLIRHTN-UHFFFAOYSA-N 0 0 456.587 4.512 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H](c2cccnc2)C(C)C)c2ccccc2n1 ZINC001361048790 1066278812 /nfs/dbraw/zinc/27/88/12/1066278812.db2.gz JLVBNEILHQKWGM-VWLOTQADSA-N 0 0 499.663 4.845 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2nccc(C(F)F)n2)c2ccccc2n1 ZINC001361048853 1066278835 /nfs/dbraw/zinc/27/88/35/1066278835.db2.gz LCJKPUCLBSPBBH-UHFFFAOYSA-N 0 0 481.551 4.829 20 0 JJADRN C[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC001443204908 1066279644 /nfs/dbraw/zinc/27/96/44/1066279644.db2.gz LPOMMRABXMHYSP-CQSZACIVSA-N 0 0 457.958 4.992 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049099 1066280140 /nfs/dbraw/zinc/28/01/40/1066280140.db2.gz SIDLDFMFGWWQRW-PMACEKPBSA-N 0 0 494.640 4.672 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049100 1066280239 /nfs/dbraw/zinc/28/02/39/1066280239.db2.gz SIDLDFMFGWWQRW-WOJBJXKFSA-N 0 0 494.640 4.672 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049212 1066280700 /nfs/dbraw/zinc/28/07/00/1066280700.db2.gz WJBCNLFBVOCRCQ-AZUAARDMSA-N 0 0 494.640 4.578 20 0 JJADRN C/C=C\C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001454412303 1066280913 /nfs/dbraw/zinc/28/09/13/1066280913.db2.gz NZKRDJBBBXHZBI-HMDTVDTHSA-N 0 0 451.380 4.645 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC001443216856 1066281515 /nfs/dbraw/zinc/28/15/15/1066281515.db2.gz QBOIKZAEPXXCHS-HXUWFJFHSA-N 0 0 459.333 4.772 20 0 JJADRN CCCN1CCN(C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)CC1 ZINC001443216589 1066281624 /nfs/dbraw/zinc/28/16/24/1066281624.db2.gz NHBJQLVTYQICJT-UHFFFAOYSA-N 0 0 451.423 4.929 20 0 JJADRN O=C(NCCCOc1cccc2cccnc21)c1cc(-c2cccc(Br)c2)no1 ZINC001443215314 1066281661 /nfs/dbraw/zinc/28/16/61/1066281661.db2.gz LRDLMFQXWCMPOL-UHFFFAOYSA-N 0 0 452.308 4.851 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](C)C3)n2CCOCC(F)(F)C(F)F)c2ccccc2n1 ZINC001361049608 1066282619 /nfs/dbraw/zinc/28/26/19/1066282619.db2.gz KHFVMODLNWOCKE-HNNXBMFYSA-N 0 0 465.495 4.955 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)n2)c1 ZINC001443227352 1066283078 /nfs/dbraw/zinc/28/30/78/1066283078.db2.gz QUJJMYCCCHYVCF-IBGZPJMESA-N 0 0 451.552 4.617 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCOc2ccc(Cl)cc2Cl)c1C ZINC001443244479 1066283442 /nfs/dbraw/zinc/28/34/42/1066283442.db2.gz ACHUJPUYRSIJSN-GOSISDBHSA-N 0 0 453.391 4.919 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC001443239657 1066283608 /nfs/dbraw/zinc/28/36/08/1066283608.db2.gz KDQVCZLEVCXDJE-IPMKNSEASA-N 0 0 463.416 4.838 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)c1ccc(I)cc1 ZINC001454449806 1066283670 /nfs/dbraw/zinc/28/36/70/1066283670.db2.gz KZIGADMWXNBUMZ-HOCLYGCPSA-N 0 0 459.331 4.677 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC001454447882 1066283733 /nfs/dbraw/zinc/28/37/33/1066283733.db2.gz BMTIXBADBYYREG-FBMGVBCBSA-N 0 0 455.480 4.881 20 0 JJADRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001443250340 1066284297 /nfs/dbraw/zinc/28/42/97/1066284297.db2.gz GFXTVKZBKBLUDW-LJQANCHMSA-N 0 0 451.615 4.781 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCCCc2nc(-c3cccnc3)cs2)C1 ZINC001443258122 1066284939 /nfs/dbraw/zinc/28/49/39/1066284939.db2.gz ZDIBHGMFLJSKLT-FXAWDEMLSA-N 0 0 458.628 4.680 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3cccc(Br)c23)c(C)c1 ZINC001443260201 1066285622 /nfs/dbraw/zinc/28/56/22/1066285622.db2.gz XRBYNSGOAOXIOJ-SFHVURJKSA-N 0 0 458.381 4.701 20 0 JJADRN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001443259812 1066285681 /nfs/dbraw/zinc/28/56/81/1066285681.db2.gz CATZRKQPDUBJON-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1 ZINC001454461588 1066285726 /nfs/dbraw/zinc/28/57/26/1066285726.db2.gz IFDPPYPSJXRQGC-VAMGGRTRSA-N 0 0 458.599 4.796 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001454464486 1066285957 /nfs/dbraw/zinc/28/59/57/1066285957.db2.gz OHBDNTBWBUBYIP-KDOFPFPSSA-N 0 0 464.488 4.972 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccncc2)cc1NC(=O)c1ccc(Br)cc1 ZINC001361050961 1066285718 /nfs/dbraw/zinc/28/57/18/1066285718.db2.gz GWRYKYRXNFVENN-INIZCTEOSA-N 0 0 452.352 4.766 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2c[nH]c3cccc(Br)c23)c(C)c1 ZINC001443260194 1066285802 /nfs/dbraw/zinc/28/58/02/1066285802.db2.gz XRBYNSGOAOXIOJ-GOSISDBHSA-N 0 0 458.381 4.701 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001443262272 1066286258 /nfs/dbraw/zinc/28/62/58/1066286258.db2.gz JMZRNKUYXRBXMM-UHFFFAOYSA-N 0 0 458.489 4.904 20 0 JJADRN COC[C@@H](C)N(C(=O)CSc1nccn1-c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001454466173 1066286609 /nfs/dbraw/zinc/28/66/09/1066286609.db2.gz FBSQSMGYTXKLPQ-WZONZLPQSA-N 0 0 451.592 4.524 20 0 JJADRN CCc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cnn1-c1ccccc1 ZINC001454465437 1066286716 /nfs/dbraw/zinc/28/67/16/1066286716.db2.gz MEBUVVJAZKKRBN-VLCRHTCISA-N 0 0 452.599 4.589 20 0 JJADRN CC(C)Oc1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1Cl ZINC001454465524 1066286733 /nfs/dbraw/zinc/28/67/33/1066286733.db2.gz MGOACXSHFDGAHG-CGTJXYLNSA-N 0 0 451.995 4.676 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC001443262716 1066286601 /nfs/dbraw/zinc/28/66/01/1066286601.db2.gz DJOWFCDRLROMAR-UHFFFAOYSA-N 0 0 455.408 4.560 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1)c1ccccc1 ZINC001361051784 1066287171 /nfs/dbraw/zinc/28/71/71/1066287171.db2.gz ZYQNXBUTPQFVKT-SFHVURJKSA-N 0 0 458.530 4.634 20 0 JJADRN CCn1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(-c2ccccc2)n1 ZINC001454470454 1066287924 /nfs/dbraw/zinc/28/79/24/1066287924.db2.gz PMIIQZLPLOUOAG-STZQEDGTSA-N 0 0 452.599 4.724 20 0 JJADRN O=C(CCSc1ccccc1Br)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001454470218 1066287970 /nfs/dbraw/zinc/28/79/70/1066287970.db2.gz VSLWNPCHVJLBIO-UHFFFAOYSA-N 0 0 458.425 4.757 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454471279 1066288121 /nfs/dbraw/zinc/28/81/21/1066288121.db2.gz YHBWACMHNDZNHV-WMZHIEFXSA-N 0 0 454.542 4.685 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)NC(C)C)no1 ZINC001361053172 1066288365 /nfs/dbraw/zinc/28/83/65/1066288365.db2.gz BEFQXGBROWWHSL-GOSISDBHSA-N 0 0 489.020 4.536 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccncc3)c(=O)oc2c1 ZINC001361053026 1066288474 /nfs/dbraw/zinc/28/84/74/1066288474.db2.gz VXXJACRPLHADCD-UHFFFAOYSA-N 0 0 455.558 4.919 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1)Oc1cccc(F)c1 ZINC001545956500 1066288578 /nfs/dbraw/zinc/28/85/78/1066288578.db2.gz CTNBBYSZOKYIDZ-DLBZAZTESA-N 0 0 494.434 4.974 20 0 JJADRN CCc1ccc(C2CCN(C(=O)CCc3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1 ZINC001454473456 1066288598 /nfs/dbraw/zinc/28/85/98/1066288598.db2.gz MBSGUBUUOJKSOH-UHFFFAOYSA-N 0 0 456.652 4.618 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361053269 1066288982 /nfs/dbraw/zinc/28/89/82/1066288982.db2.gz DDVNDRHNWBWGGO-ZEQKJWHPSA-N 0 0 456.631 4.613 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1)Oc1cccc(F)c1 ZINC001545956503 1066289327 /nfs/dbraw/zinc/28/93/27/1066289327.db2.gz CTNBBYSZOKYIDZ-SJORKVTESA-N 0 0 494.434 4.974 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCCC2(C)C)no1 ZINC001361053595 1066289484 /nfs/dbraw/zinc/28/94/84/1066289484.db2.gz MLBFZWVRMWTYSO-OXQOHEQNSA-N 0 0 459.978 4.819 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(F)(F)F)cc2C)no1 ZINC001361053485 1066289680 /nfs/dbraw/zinc/28/96/80/1066289680.db2.gz JNCCTOIDTUZJON-QHCPKHFHSA-N 0 0 493.530 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2sccn2Cc2ccccc2F)c2ccccc21 ZINC001443287857 1066289765 /nfs/dbraw/zinc/28/97/65/1066289765.db2.gz DTBKLRQBZDUUSD-GOSISDBHSA-N 0 0 453.539 4.703 20 0 JJADRN O=C(N=c1sccn1Cc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001443286574 1066289803 /nfs/dbraw/zinc/28/98/03/1066289803.db2.gz HXWNENYMMKCPAM-SFHVURJKSA-N 0 0 454.983 4.623 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)ccc1Br ZINC001454477746 1066289919 /nfs/dbraw/zinc/28/99/19/1066289919.db2.gz WMOBFUDEZMPKMS-NXHRZFHOSA-N 0 0 451.405 4.911 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)no1 ZINC001361054656 1066290188 /nfs/dbraw/zinc/29/01/88/1066290188.db2.gz ALUIMJMKDOXNNZ-UHFFFAOYSA-N 0 0 466.405 4.519 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCCc2ccccc2)no1 ZINC001361054686 1066290828 /nfs/dbraw/zinc/29/08/28/1066290828.db2.gz BKWISUXQQNPUMW-UHFFFAOYSA-N 0 0 469.387 4.612 20 0 JJADRN COc1cccc([C@@H](O)C2CCN(C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)c1 ZINC001454489044 1066291291 /nfs/dbraw/zinc/29/12/91/1066291291.db2.gz ADYZPXPNTJZKTQ-SANMLTNESA-N 0 0 458.558 4.558 20 0 JJADRN COc1cccc([C@H](O)C2CCN(C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)c1 ZINC001454489036 1066291364 /nfs/dbraw/zinc/29/13/64/1066291364.db2.gz ADYZPXPNTJZKTQ-AREMUKBSSA-N 0 0 458.558 4.558 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N=c2sccn2Cc2cccc3ccccc32)C1 ZINC001443299838 1066291799 /nfs/dbraw/zinc/29/17/99/1066291799.db2.gz XMWGTVPFHDITRB-XMMPIXPASA-N 0 0 455.555 4.528 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCC[C@H]2CCCCO2)no1 ZINC001361054932 1066292044 /nfs/dbraw/zinc/29/20/44/1066292044.db2.gz LGSYBSYCMNLTKC-HXUWFJFHSA-N 0 0 474.403 4.990 20 0 JJADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454489542 1066291996 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Cc1cccc(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N(C)C)c1 ZINC001361055541 1066294606 /nfs/dbraw/zinc/29/46/06/1066294606.db2.gz YNPYUPYCRADKKK-GOSISDBHSA-N 0 0 451.640 4.555 20 0 JJADRN O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001454503795 1066294663 /nfs/dbraw/zinc/29/46/63/1066294663.db2.gz ZRORMNGGRIVSMJ-UHFFFAOYSA-N 0 0 458.848 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCc3ccnc(-c4ccccc4)c3)ccc2C1 ZINC001454507049 1066294998 /nfs/dbraw/zinc/29/49/98/1066294998.db2.gz YRWMJFVJMRFYHH-UHFFFAOYSA-N 0 0 459.546 4.808 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c2ccc(OC)cc2)n1 ZINC001361056031 1066295240 /nfs/dbraw/zinc/29/52/40/1066295240.db2.gz ZURZMQDJMMCPFS-SJPCQFCGSA-N 0 0 456.564 4.779 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCC(F)(F)F)no1 ZINC001361056239 1066295699 /nfs/dbraw/zinc/29/56/99/1066295699.db2.gz IUERWDDBSJWZFP-UHFFFAOYSA-N 0 0 492.889 4.916 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncnn2C(C)(C)C)no1 ZINC001361056302 1066295736 /nfs/dbraw/zinc/29/57/36/1066295736.db2.gz LADFIDFNAUMSIA-UHFFFAOYSA-N 0 0 475.384 4.580 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@H]2CCCO2)no1 ZINC001361056459 1066296350 /nfs/dbraw/zinc/29/63/50/1066296350.db2.gz QOOPITZVAVRELK-GOSISDBHSA-N 0 0 480.396 4.770 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)C1 ZINC001546062896 1066296578 /nfs/dbraw/zinc/29/65/78/1066296578.db2.gz YSJXHKOJXQBDTG-UQBPGWFLSA-N 0 0 452.603 4.986 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Br)cn2)c1 ZINC001361056381 1066296465 /nfs/dbraw/zinc/29/64/65/1066296465.db2.gz NOCAKOUQGNSYGB-UHFFFAOYSA-N 0 0 486.805 4.598 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001454538107 1066296950 /nfs/dbraw/zinc/29/69/50/1066296950.db2.gz NKLUIYSCERMUTN-UHFFFAOYSA-N 0 0 454.448 4.812 20 0 JJADRN CCON(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](C)c1cccc(Br)c1 ZINC001454537810 1066297184 /nfs/dbraw/zinc/29/71/84/1066297184.db2.gz GYGJRZAMJZLQBK-WXNRQPJFSA-N 0 0 451.405 4.717 20 0 JJADRN CCCCN(CCOC)C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 ZINC001443338964 1066297010 /nfs/dbraw/zinc/29/70/10/1066297010.db2.gz BIEAYJLGZCYAQX-UHFFFAOYSA-N 0 0 451.336 4.729 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)OC ZINC001545957294 1066297717 /nfs/dbraw/zinc/29/77/17/1066297717.db2.gz STVCIRGWBTXRGU-CYBMUJFWSA-N 0 0 470.774 4.890 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)cc21 ZINC001361058421 1066298396 /nfs/dbraw/zinc/29/83/96/1066298396.db2.gz DGWTWUWMAKHDBU-UHFFFAOYSA-N 0 0 457.456 4.544 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)c1 ZINC001361059635 1066298925 /nfs/dbraw/zinc/29/89/25/1066298925.db2.gz CRCHVKIFTZLYOA-DHIUTWEWSA-N 0 0 483.657 4.907 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C=O)c3)c2)CN1C(=O)OC(C)(C)C ZINC001454546331 1066298977 /nfs/dbraw/zinc/29/89/77/1066298977.db2.gz BCVFXWPLUPDRBZ-XMSQKQJNSA-N 0 0 452.551 4.596 20 0 JJADRN C[C@H]1CC[C@@H](NC(=O)c2ccccc2OCCOc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001454547221 1066299019 /nfs/dbraw/zinc/29/90/19/1066299019.db2.gz HQBYYQSTERFYBG-VQTJNVASSA-N 0 0 454.567 4.662 20 0 JJADRN CCON(C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2)[C@@H](C)c1cccc(Br)c1 ZINC001454545702 1066299136 /nfs/dbraw/zinc/29/91/36/1066299136.db2.gz YXIHAKLBTOEESW-JTQLQIEISA-N 0 0 457.250 4.894 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361059636 1066299040 /nfs/dbraw/zinc/29/90/40/1066299040.db2.gz CRCHVKIFTZLYOA-GOTSBHOMSA-N 0 0 483.657 4.907 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)N(C)c4ccc(Br)nc4)c3)cn2c1 ZINC001361059330 1066299059 /nfs/dbraw/zinc/29/90/59/1066299059.db2.gz HRLOLBXFHQSCHW-UHFFFAOYSA-N 0 0 451.324 4.656 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC001443353496 1066299187 /nfs/dbraw/zinc/29/91/87/1066299187.db2.gz GCXBBGUHIDRMIN-RTBURBONSA-N 0 0 464.566 4.935 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC ZINC001443352915 1066299355 /nfs/dbraw/zinc/29/93/55/1066299355.db2.gz CBCLGOCTIYGMKZ-UHFFFAOYSA-N 0 0 458.356 4.564 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CN1C(=O)OC(C)(C)C ZINC001454547502 1066299676 /nfs/dbraw/zinc/29/96/76/1066299676.db2.gz HZBYAYAKHKATBO-RHSMWYFYSA-N 0 0 450.004 4.905 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361059769 1066299734 /nfs/dbraw/zinc/29/97/34/1066299734.db2.gz FJQPFSFYDYNECZ-MOSBNWHCSA-N 0 0 497.684 4.889 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)no1 ZINC001361060681 1066300280 /nfs/dbraw/zinc/30/02/80/1066300280.db2.gz RWKVOZNUMZSYAL-OAQYLSRUSA-N 0 0 480.613 4.682 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCc3cc(Br)c(Cl)cc32)cc1OC ZINC001454550548 1066300216 /nfs/dbraw/zinc/30/02/16/1066300216.db2.gz WKJGFFYBHXPEGD-UHFFFAOYSA-N 0 0 452.732 4.672 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)NCCc2ccccc2OCc2ccccc2)co1 ZINC001454552083 1066300236 /nfs/dbraw/zinc/30/02/36/1066300236.db2.gz VXILJAFXQVRFIL-UHFFFAOYSA-N 0 0 450.535 4.856 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccccc2F)no1 ZINC001361060453 1066300346 /nfs/dbraw/zinc/30/03/46/1066300346.db2.gz OJVNKBOARRMSHK-FQEVSTJZSA-N 0 0 498.603 4.707 20 0 JJADRN Cn1c(C(=O)N2CC(Nc3ccc(F)cc3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001454553512 1066300528 /nfs/dbraw/zinc/30/05/28/1066300528.db2.gz MHRJOTFZDCLLHI-NRFANRHFSA-N 0 0 456.562 4.563 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)no1 ZINC001361060691 1066300701 /nfs/dbraw/zinc/30/07/01/1066300701.db2.gz SDDCPZJAHFBNSX-PMACEKPBSA-N 0 0 470.618 4.682 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)no1 ZINC001361060694 1066300723 /nfs/dbraw/zinc/30/07/23/1066300723.db2.gz SDDCPZJAHFBNSX-WOJBJXKFSA-N 0 0 470.618 4.682 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)C1 ZINC001546062449 1066300596 /nfs/dbraw/zinc/30/05/96/1066300596.db2.gz QRVWYLAFCXDWKC-AREMUKBSSA-N 0 0 481.044 4.861 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)C1 ZINC001546062450 1066300730 /nfs/dbraw/zinc/30/07/30/1066300730.db2.gz QRVWYLAFCXDWKC-SANMLTNESA-N 0 0 481.044 4.861 20 0 JJADRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC001454555504 1066300845 /nfs/dbraw/zinc/30/08/45/1066300845.db2.gz LRDRPSCKQUSNQX-JIMJEQGWSA-N 0 0 464.606 4.702 20 0 JJADRN C[C@](O)(C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001443358075 1066300717 /nfs/dbraw/zinc/30/07/17/1066300717.db2.gz ORGAGDZFQSGGSS-IFMALSPDSA-N 0 0 454.920 4.737 20 0 JJADRN O=C(CCC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)c1cc(Cl)sc1Cl ZINC001443357467 1066300799 /nfs/dbraw/zinc/30/07/99/1066300799.db2.gz PHRAAPMOLHAXKJ-UHFFFAOYSA-N 0 0 459.424 4.639 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNC(=O)C2CCC2)C1 ZINC001546062445 1066300912 /nfs/dbraw/zinc/30/09/12/1066300912.db2.gz QQDYKHQJCOAICK-IDISGSTGSA-N 0 0 467.658 4.968 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)c1 ZINC001361061284 1066301058 /nfs/dbraw/zinc/30/10/58/1066301058.db2.gz INCQMDHCFRHJIA-OAQYLSRUSA-N 0 0 457.619 4.577 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC(C)(C)C)nc2)no1 ZINC001361061526 1066301100 /nfs/dbraw/zinc/30/11/00/1066301100.db2.gz NOWLBGGFHLFBJB-UHFFFAOYSA-N 0 0 482.535 4.701 20 0 JJADRN Cc1cc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@@H](C)C2)no1 ZINC001361061635 1066301152 /nfs/dbraw/zinc/30/11/52/1066301152.db2.gz QHDAJQQHKZDZMZ-IEBWSBKVSA-N 0 0 472.634 4.762 20 0 JJADRN COc1ccc([C@@]2(C(=O)Nc3nnc(-c4c(Cl)cccc4Cl)s3)C[C@@H](O)C2)cc1 ZINC001454560298 1066301448 /nfs/dbraw/zinc/30/14/48/1066301448.db2.gz OAGYODOIGHLGSS-NJDVURJYSA-N 0 0 450.347 4.552 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2CCC(F)(F)CC2)no1 ZINC001361061806 1066301559 /nfs/dbraw/zinc/30/15/59/1066301559.db2.gz VQHPBTDZMNAPQK-UHFFFAOYSA-N 0 0 451.468 4.905 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001361061662 1066301589 /nfs/dbraw/zinc/30/15/89/1066301589.db2.gz QYCUTUPGJMRSFN-IBGZPJMESA-N 0 0 474.531 4.643 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001454564880 1066301724 /nfs/dbraw/zinc/30/17/24/1066301724.db2.gz MLTZHPSJBFCKAK-QFBILLFUSA-N 0 0 456.002 4.846 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c2ccccc21 ZINC001454566033 1066301881 /nfs/dbraw/zinc/30/18/81/1066301881.db2.gz UIUMUONXYADBDN-AEFFLSMTSA-N 0 0 459.949 4.713 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)no1 ZINC001361063058 1066301720 /nfs/dbraw/zinc/30/17/20/1066301720.db2.gz CRAGDLHWJKVVQE-FQEVSTJZSA-N 0 0 498.603 4.588 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)c2)cc1 ZINC001454568961 1066302014 /nfs/dbraw/zinc/30/20/14/1066302014.db2.gz QNTDFLPEMRMPCZ-DNQXCXABSA-N 0 0 472.651 4.808 20 0 JJADRN Cn1c(CCNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)nc2c1cccc2F ZINC001443365708 1066302447 /nfs/dbraw/zinc/30/24/47/1066302447.db2.gz PEGNRHPSKRZISO-UHFFFAOYSA-N 0 0 456.930 4.652 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(CC)(CC)C1)OC ZINC001545957621 1066302477 /nfs/dbraw/zinc/30/24/77/1066302477.db2.gz YYBAFUPKNZIKEG-MRXNPFEDSA-N 0 0 470.481 4.583 20 0 JJADRN COc1cc(C(=O)NCC[S@](=O)Cc2ccccc2)ccc1OCc1ccccc1Cl ZINC001443370296 1066302787 /nfs/dbraw/zinc/30/27/87/1066302787.db2.gz VEIWQZGEZWPWJI-HKBQPEDESA-N 0 0 457.979 4.606 20 0 JJADRN COc1cc(C(=O)NCC[S@@](=O)Cc2ccccc2)ccc1OCc1ccccc1Cl ZINC001443370319 1066303013 /nfs/dbraw/zinc/30/30/13/1066303013.db2.gz VEIWQZGEZWPWJI-WJOKGBTCSA-N 0 0 457.979 4.606 20 0 JJADRN Cc1cc(CN(C)c2nnc(CCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)no1 ZINC001361064342 1066303175 /nfs/dbraw/zinc/30/31/75/1066303175.db2.gz AOCCNONOVYOJIT-ZJSXRUAMSA-N 0 0 451.615 4.837 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H]2CCCO[C@H]21 ZINC001361064225 1066303195 /nfs/dbraw/zinc/30/31/95/1066303195.db2.gz YSKQNUCIUJTZCQ-VAMGGRTRSA-N 0 0 457.368 4.635 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCSC2)no1 ZINC001361064320 1066303319 /nfs/dbraw/zinc/30/33/19/1066303319.db2.gz AAVNYMCCPVBWEW-MRXNPFEDSA-N 0 0 492.443 4.696 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001361064240 1066303403 /nfs/dbraw/zinc/30/34/03/1066303403.db2.gz ZHCXLSMDZHQGND-HXUWFJFHSA-N 0 0 451.929 4.943 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)C2=O)cc1 ZINC001443380266 1066303383 /nfs/dbraw/zinc/30/33/83/1066303383.db2.gz QYJPBGWAGZQTTA-DEOSSOPVSA-N 0 0 457.530 4.693 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC001443380566 1066303421 /nfs/dbraw/zinc/30/34/21/1066303421.db2.gz UWONXUGJWUZOOU-XMMPIXPASA-N 0 0 459.546 4.669 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cnn1-c1ccccc1C ZINC001454575133 1066303618 /nfs/dbraw/zinc/30/36/18/1066303618.db2.gz DUEJUVOSIZPZJY-LJQANCHMSA-N 0 0 454.615 4.899 20 0 JJADRN CN(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1c(F)cccc1Cl ZINC001454577070 1066303638 /nfs/dbraw/zinc/30/36/38/1066303638.db2.gz HOIWJESSVAFQIK-HNAYVOBHSA-N 0 0 456.002 4.624 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001443382712 1066303837 /nfs/dbraw/zinc/30/38/37/1066303837.db2.gz JMPVXQYBJMXADO-UHFFFAOYSA-N 0 0 455.917 4.685 20 0 JJADRN Cc1cc2cc(C(=O)N3CCCN(C(=O)c4ccc(F)cc4)CC3)oc2c(Br)c1 ZINC001443385197 1066304345 /nfs/dbraw/zinc/30/43/45/1066304345.db2.gz RKAZRTLFDXPQRB-UHFFFAOYSA-N 0 0 459.315 4.631 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC[C@@H](C)C2)no1 ZINC001361064952 1066304442 /nfs/dbraw/zinc/30/44/42/1066304442.db2.gz YPAVMVKAYGRANH-WBVHZDCISA-N 0 0 474.403 4.989 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001454582961 1066304729 /nfs/dbraw/zinc/30/47/29/1066304729.db2.gz BKVMZXHQJBULHL-MLGOLLRUSA-N 0 0 453.461 4.797 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)c1 ZINC001361065214 1066304804 /nfs/dbraw/zinc/30/48/04/1066304804.db2.gz JZAHIBZGTYZKAB-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(CC(C)C)c2C)no1 ZINC001361066273 1066305645 /nfs/dbraw/zinc/30/56/45/1066305645.db2.gz GCTCFLKXEMVNLE-UHFFFAOYSA-N 0 0 477.613 4.616 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c(-c2cnn(C)c2)c1)[C@@H](C)c1ccccn1 ZINC001361066475 1066305866 /nfs/dbraw/zinc/30/58/66/1066305866.db2.gz XOPXHXNIGICFPY-SFHVURJKSA-N 0 0 458.518 4.574 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1O ZINC001545958111 1066306163 /nfs/dbraw/zinc/30/61/63/1066306163.db2.gz TXEZDNDMTWFVFQ-UHFFFAOYSA-N 0 0 450.438 4.773 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)c1 ZINC001443405639 1066306656 /nfs/dbraw/zinc/30/66/56/1066306656.db2.gz KTEXDFKCRHZHPQ-UHFFFAOYSA-N 0 0 454.567 4.951 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccccc3F)n2Cc2cc(Br)cs2)no1 ZINC001361066841 1066306964 /nfs/dbraw/zinc/30/69/64/1066306964.db2.gz VGHLOGBMYUTHNX-UHFFFAOYSA-N 0 0 492.374 4.801 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)Cc2sc(SC(F)(F)F)nc2C)c1 ZINC001443408808 1066307493 /nfs/dbraw/zinc/30/74/93/1066307493.db2.gz RGINVAZEYWQQMT-UHFFFAOYSA-N 0 0 450.529 4.651 20 0 JJADRN COc1ccccc1C(C)(C)NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 ZINC001443414757 1066308038 /nfs/dbraw/zinc/30/80/38/1066308038.db2.gz LREQPGICUBGKEG-UHFFFAOYSA-N 0 0 456.583 4.583 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)c3cccc4cc[nH]c43)cc2)c1C(F)(F)F ZINC001454599914 1066308313 /nfs/dbraw/zinc/30/83/13/1066308313.db2.gz WJNXRFNBVCAPSS-UHFFFAOYSA-N 0 0 456.424 4.826 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CCC(C)C)C1 ZINC001546063697 1066308541 /nfs/dbraw/zinc/30/85/41/1066308541.db2.gz AUIXIPJYAGKGGX-RTWAWAEBSA-N 0 0 452.441 4.849 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)OC ZINC001545958315 1066308577 /nfs/dbraw/zinc/30/85/77/1066308577.db2.gz AVHXZGLDDQNTDE-MSOLQXFVSA-N 0 0 490.555 4.862 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSCC(C)C)C1 ZINC001546063665 1066308729 /nfs/dbraw/zinc/30/87/29/1066308729.db2.gz AJXBLLJCZOTPIL-HSZRJFAPSA-N 0 0 464.701 4.754 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)C12CCCCC2 ZINC001361069172 1066308759 /nfs/dbraw/zinc/30/87/59/1066308759.db2.gz QETBZEOXMDCECI-YADHBBJMSA-N 0 0 458.624 4.956 20 0 JJADRN CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001361069488 1066308798 /nfs/dbraw/zinc/30/87/98/1066308798.db2.gz UIWBDFKASOSRAC-RJGXRXQPSA-N 0 0 450.570 4.899 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)cc1C ZINC001443418453 1066308885 /nfs/dbraw/zinc/30/88/85/1066308885.db2.gz UYRTUXJTRVGEGL-NRFANRHFSA-N 0 0 455.352 4.949 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2)c2ccc(OC)c(Br)c2)cc1C ZINC001443418458 1066308969 /nfs/dbraw/zinc/30/89/69/1066308969.db2.gz UYRTUXJTRVGEGL-OAQYLSRUSA-N 0 0 455.352 4.949 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccnc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492597863 1066309371 /nfs/dbraw/zinc/30/93/71/1066309371.db2.gz CUCPKKKXDXSRFL-UHFFFAOYSA-N 0 0 494.640 4.857 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H](O)CCc2ccccc2)c2ccccc2)cc1Br ZINC001443418766 1066309595 /nfs/dbraw/zinc/30/95/95/1066309595.db2.gz WLVKPTYZJLWVQO-GMAHTHKFSA-N 0 0 454.364 4.657 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COc2ccccc2)CC1)OC ZINC001545958395 1066309614 /nfs/dbraw/zinc/30/96/14/1066309614.db2.gz BYVTUBZEOLNLHN-IBGZPJMESA-N 0 0 488.430 4.756 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)CCn3ccc4cc(Cl)ccc43)cc2F)n1 ZINC001454611149 1066309783 /nfs/dbraw/zinc/30/97/83/1066309783.db2.gz BQVCHURTFFJJRE-UHFFFAOYSA-N 0 0 454.889 4.825 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)cc1 ZINC001454612041 1066309889 /nfs/dbraw/zinc/30/98/89/1066309889.db2.gz HKAHKACEQIKSRR-UHFFFAOYSA-N 0 0 457.412 4.550 20 0 JJADRN CCOC(=O)c1nnn(C2CCN(C(=O)[C@H](CC3CCCCC3)C(C)C)CC2)c1C(F)F ZINC001454615710 1066310494 /nfs/dbraw/zinc/31/04/94/1066310494.db2.gz AFKVJKPFGSNWGY-GOSISDBHSA-N 0 0 454.562 4.799 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)c2ccccc2C)no1 ZINC001361070833 1066310309 /nfs/dbraw/zinc/31/03/09/1066310309.db2.gz WDVOTSLVMLYCCR-MRXNPFEDSA-N 0 0 469.387 4.897 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(N)=O)C2)cs1 ZINC001361070887 1066310327 /nfs/dbraw/zinc/31/03/27/1066310327.db2.gz XQURSXDBMFQYCJ-PKOBYXMFSA-N 0 0 488.057 4.808 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C(F)(F)F)C2)no1 ZINC001361070793 1066310459 /nfs/dbraw/zinc/31/04/59/1066310459.db2.gz VGSSHAOLACZQNG-CRAIPNDOSA-N 0 0 499.921 4.801 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(N)=O)C2)cs1 ZINC001361070886 1066310486 /nfs/dbraw/zinc/31/04/86/1066310486.db2.gz XQURSXDBMFQYCJ-MJGOQNOKSA-N 0 0 488.057 4.808 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)cc1 ZINC001454625392 1066310997 /nfs/dbraw/zinc/31/09/97/1066310997.db2.gz BJXWNRWGYKWTNX-HHHXNRCGSA-N 0 0 452.595 4.534 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C)[C@@H]2C)cs1 ZINC001361071025 1066311080 /nfs/dbraw/zinc/31/10/80/1066311080.db2.gz BTUUXMZPAFGXPD-UONOGXRCSA-N 0 0 466.474 4.795 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC1CC1)NC(=O)OC(C)(C)C ZINC001545958465 1066311009 /nfs/dbraw/zinc/31/10/09/1066311009.db2.gz DQTKRIHBADLNQT-FQEVSTJZSA-N 0 0 479.629 4.875 20 0 JJADRN Cc1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C[C@@H]2CCOC2)cs1 ZINC001361071264 1066311604 /nfs/dbraw/zinc/31/16/04/1066311604.db2.gz HNWFCYVGVDLHHD-AWEZNQCLSA-N 0 0 465.392 4.738 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001454627721 1066312150 /nfs/dbraw/zinc/31/21/50/1066312150.db2.gz YXJYAGBXFHSRST-UHFFFAOYSA-N 0 0 451.954 4.679 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)no1 ZINC001361071520 1066312071 /nfs/dbraw/zinc/31/20/71/1066312071.db2.gz LCSGCEWJOOOGEG-HSZRJFAPSA-N 0 0 461.513 4.533 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(C2N=NC(=S)N2C(C)C)CC1 ZINC001443446555 1066312491 /nfs/dbraw/zinc/31/24/91/1066312491.db2.gz CJEFNMRBFFVUAH-UHFFFAOYSA-N 0 0 459.616 4.823 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)no1 ZINC001361072144 1066312406 /nfs/dbraw/zinc/31/24/06/1066312406.db2.gz WYGPVJVKNZVXRG-BDJLRTHQSA-N 0 0 470.293 4.687 20 0 JJADRN Cc1csc(Nc2ccc(NC(=O)c3nnn(CCOc4ccc(F)cc4)c3C)cc2)n1 ZINC001443447897 1066312610 /nfs/dbraw/zinc/31/26/10/1066312610.db2.gz IOOVTLSJYHBTFJ-UHFFFAOYSA-N 0 0 452.515 4.565 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)CC2=O)cc1 ZINC001361072403 1066312881 /nfs/dbraw/zinc/31/28/81/1066312881.db2.gz BEUGMJAPXZNKFY-KRWDZBQOSA-N 0 0 454.983 4.726 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CC1=O ZINC001443448507 1066313168 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NLKFRSRJBJEPKR-JIPXPUAJSA-N 0 0 450.579 4.707 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001443457430 1066314378 /nfs/dbraw/zinc/31/43/78/1066314378.db2.gz MDVVVSGWBZJLDH-WOJBJXKFSA-N 0 0 452.599 4.937 20 0 JJADRN C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)NC(=O)OC(C)(C)C ZINC001443461898 1066314762 /nfs/dbraw/zinc/31/47/62/1066314762.db2.gz NMWMLSSJCQJUBY-CXAGYDPISA-N 0 0 458.386 4.616 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)ccc1F ZINC001361073904 1066314928 /nfs/dbraw/zinc/31/49/28/1066314928.db2.gz SFEUNZOUOMGKEE-HNNXBMFYSA-N 0 0 482.913 4.562 20 0 JJADRN COCc1nc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c(-c2ccccc2)s1 ZINC001361074053 1066315011 /nfs/dbraw/zinc/31/50/11/1066315011.db2.gz RVWUUHWNTOVMBL-UHFFFAOYSA-N 0 0 458.543 4.534 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cs1 ZINC001361074225 1066315467 /nfs/dbraw/zinc/31/54/67/1066315467.db2.gz YZAMWSDLDOZUHM-HXUWFJFHSA-N 0 0 481.666 4.880 20 0 JJADRN Cc1cc(Cn2c(-c3cnccn3)nnc2N(C)Cc2cc(Br)cs2)ccc1F ZINC001361074416 1066315541 /nfs/dbraw/zinc/31/55/41/1066315541.db2.gz BGYJFFWASQDJNA-UHFFFAOYSA-N 0 0 473.375 4.691 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001492597904 1066315578 /nfs/dbraw/zinc/31/55/78/1066315578.db2.gz HQHAIHXIKTZUHE-RTBURBONSA-N 0 0 467.580 4.715 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)ccc1F ZINC001361074595 1066315642 /nfs/dbraw/zinc/31/56/42/1066315642.db2.gz IQIFWAWRCYVEJV-GOSISDBHSA-N 0 0 482.604 4.899 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545959066 1066316183 /nfs/dbraw/zinc/31/61/83/1066316183.db2.gz PFOSESSWZQIOGA-SVFBPWRDSA-N 0 0 490.048 4.765 20 0 JJADRN COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc12 ZINC001361076660 1066316524 /nfs/dbraw/zinc/31/65/24/1066316524.db2.gz VZDGGMWUXPZEDU-UHFFFAOYSA-N 0 0 459.951 4.896 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)c2cccs2)CC1)OC ZINC001545959113 1066316635 /nfs/dbraw/zinc/31/66/35/1066316635.db2.gz PRACWPMGEOBZOT-INIZCTEOSA-N 0 0 492.443 4.622 20 0 JJADRN COCCN(C(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C)c1ccc(OC)c(OC)c1 ZINC001361076320 1066316611 /nfs/dbraw/zinc/31/66/11/1066316611.db2.gz YVJRISRLEHOGBD-UHFFFAOYSA-N 0 0 459.546 4.953 20 0 JJADRN CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)N3CCCCC[C@H](NC(=O)OC(C)(C)C)C3)c21 ZINC001454657389 1066316658 /nfs/dbraw/zinc/31/66/58/1066316658.db2.gz UTMKFKAYFKFLEA-KRWDZBQOSA-N 0 0 458.603 4.698 20 0 JJADRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454657406 1066316677 /nfs/dbraw/zinc/31/66/77/1066316677.db2.gz UXYJVODTTNKTHT-DOTOQJQBSA-N 0 0 455.393 4.512 20 0 JJADRN CC[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@H]1C)OC ZINC001545959111 1066316792 /nfs/dbraw/zinc/31/67/92/1066316792.db2.gz PQUNHNCXPVIOMO-UMVBOHGHSA-N 0 0 457.413 4.602 20 0 JJADRN COC(=O)[C@H](CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1)Cc1cccc(F)c1 ZINC001443487395 1066317289 /nfs/dbraw/zinc/31/72/89/1066317289.db2.gz HDCLIDPCLAXMAA-HNNXBMFYSA-N 0 0 456.341 4.686 20 0 JJADRN Cc1cc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(CC(C)C)C(C)C)ccc1F ZINC001361077449 1066317213 /nfs/dbraw/zinc/31/72/13/1066317213.db2.gz QJSNTFABXKCFFW-UHFFFAOYSA-N 0 0 465.621 4.819 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCSC[C@H]2C)cs1 ZINC001361077592 1066317490 /nfs/dbraw/zinc/31/74/90/1066317490.db2.gz UPVGEZRIKKVYAO-MRXNPFEDSA-N 0 0 477.700 4.753 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@@H](O)c4ccccn4)CCC[C@]3(C)[C@H]2CC1 ZINC001454662086 1066317603 /nfs/dbraw/zinc/31/76/03/1066317603.db2.gz JGYDOFQSMWTWRZ-QEQJGFIWSA-N 0 0 452.639 4.727 20 0 JJADRN Cc1cc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H]2CC=CCC2)ccc1F ZINC001361078129 1066317748 /nfs/dbraw/zinc/31/77/48/1066317748.db2.gz MANODEPDGPBARG-NZQKXSOJSA-N 0 0 499.631 4.875 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)c2ccco2)no1 ZINC001361077642 1066317782 /nfs/dbraw/zinc/31/77/82/1066317782.db2.gz WBXAPVJYJNXMNQ-QGZVFWFLSA-N 0 0 470.574 4.528 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 ZINC001443491058 1066317747 /nfs/dbraw/zinc/31/77/47/1066317747.db2.gz BNDQXXWSRXQRSJ-NRSPTQNISA-N 0 0 459.635 4.523 20 0 JJADRN Cc1cc(C)nc(C2CN(C(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)C2)n1 ZINC001454669629 1066318439 /nfs/dbraw/zinc/31/84/39/1066318439.db2.gz INCQIMBHUOKHPH-OAQYLSRUSA-N 0 0 452.352 4.602 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001492597938 1066318838 /nfs/dbraw/zinc/31/88/38/1066318838.db2.gz IBBWLOZJWNTBRM-NRFANRHFSA-N 0 0 471.646 4.557 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@H](O)c4cccnc4)CCC[C@]3(C)[C@@H]2CC1 ZINC001454676704 1066318829 /nfs/dbraw/zinc/31/88/29/1066318829.db2.gz WDZOXUQLAGHQMJ-NQESLZPDSA-N 0 0 452.639 4.727 20 0 JJADRN CCc1c(NC(=O)c2ccc(Br)cn2)n[nH]c1-c1ccc(Br)cc1 ZINC001443495303 1066318908 /nfs/dbraw/zinc/31/89/08/1066318908.db2.gz FEVLRFAHQMESJC-UHFFFAOYSA-N 0 0 450.134 4.811 20 0 JJADRN CCc1c(NC(=O)c2ccc(COCCOC)cc2)n[nH]c1-c1ccc(Br)cc1 ZINC001443495794 1066319110 /nfs/dbraw/zinc/31/91/10/1066319110.db2.gz GMELWYRZYLYLFJ-UHFFFAOYSA-N 0 0 458.356 4.817 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccc3C)nnc2N(C)Cc2csc(Br)c2)no1 ZINC001361080346 1066319285 /nfs/dbraw/zinc/31/92/85/1066319285.db2.gz FGMCSIAONSDEEM-UHFFFAOYSA-N 0 0 472.412 4.982 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1F ZINC001361080410 1066319299 /nfs/dbraw/zinc/31/92/99/1066319299.db2.gz HWXVSHGHZSXXDH-FQEVSTJZSA-N 0 0 485.629 4.777 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)(F)C(F)F)C1 ZINC001546064465 1066319372 /nfs/dbraw/zinc/31/93/72/1066319372.db2.gz PNNDVYBETKLNRB-KRWDZBQOSA-N 0 0 482.320 4.579 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080541 1066319342 /nfs/dbraw/zinc/31/93/42/1066319342.db2.gz MRQUAPZAYYBBGN-DENIHFKCSA-N 0 0 496.681 4.812 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080691 1066319608 /nfs/dbraw/zinc/31/96/08/1066319608.db2.gz SDHDWJOUKZEELB-HNAYVOBHSA-N 0 0 473.668 4.698 20 0 JJADRN CCOc1cc(Br)c(CC(=O)NC[C@]2(O)CCCC(C)(C)CC2)cc1OCC ZINC001454690897 1066319875 /nfs/dbraw/zinc/31/98/75/1066319875.db2.gz SIUPRNVTYOHOPU-QFIPXVFZSA-N 0 0 456.421 4.627 20 0 JJADRN COc1cc(/C=C\C(=O)NC[C@]2(O)CCCC(C)(C)CC2)ccc1OCc1c(C)noc1C ZINC001454690796 1066319906 /nfs/dbraw/zinc/31/99/06/1066319906.db2.gz UJYGTAKRABFHGN-YAPAZNOASA-N 0 0 456.583 4.730 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccc(Br)o2)no1 ZINC001361081007 1066320139 /nfs/dbraw/zinc/32/01/39/1066320139.db2.gz ZCGQOTAVNSFWGX-UHFFFAOYSA-N 0 0 476.762 4.859 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001361080953 1066320194 /nfs/dbraw/zinc/32/01/94/1066320194.db2.gz XVWHXLPTXZKLOQ-FQEVSTJZSA-N 0 0 496.681 4.765 20 0 JJADRN Cc1cc(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](COC(C)C)C2)cs1 ZINC001361081015 1066320254 /nfs/dbraw/zinc/32/02/54/1066320254.db2.gz GHFABSSVEJRFNY-QHCPKHFHSA-N 0 0 454.640 4.502 20 0 JJADRN Cc1cc(Cn2c(CC3CC3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080938 1066320308 /nfs/dbraw/zinc/32/03/08/1066320308.db2.gz DNQHDHOYUVIKCG-YLJYHZDGSA-N 0 0 459.660 4.778 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnc(C)s2)no1 ZINC001361080954 1066320344 /nfs/dbraw/zinc/32/03/44/1066320344.db2.gz DWUXRCXOGVUUJT-UHFFFAOYSA-N 0 0 466.611 4.901 20 0 JJADRN COc1ccccc1-c1csc(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)n1 ZINC001443503017 1066320389 /nfs/dbraw/zinc/32/03/89/1066320389.db2.gz LGOBMVQUQDDHOM-LJQANCHMSA-N 0 0 451.317 4.567 20 0 JJADRN Cc1cccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1C(F)(F)F ZINC001443509015 1066320759 /nfs/dbraw/zinc/32/07/59/1066320759.db2.gz WQLYUQTVRHEIBB-UHFFFAOYSA-N 0 0 455.483 4.761 20 0 JJADRN Cc1cc(Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361081916 1066321282 /nfs/dbraw/zinc/32/12/82/1066321282.db2.gz WRFSDYHTWTZTRY-IBGZPJMESA-N 0 0 481.666 4.927 20 0 JJADRN Cc1cc(Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001361081879 1066321298 /nfs/dbraw/zinc/32/12/98/1066321298.db2.gz WAXPEJZMTKJRDI-UHFFFAOYSA-N 0 0 462.541 4.829 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001545959370 1066321349 /nfs/dbraw/zinc/32/13/49/1066321349.db2.gz UZYNXZZKHXSWOA-VQIMIIECSA-N 0 0 493.029 4.680 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c2cccc(Cl)c2Cl)cc1 ZINC001454696423 1066321422 /nfs/dbraw/zinc/32/14/22/1066321422.db2.gz OGDRJWLVGJZVFQ-IBGZPJMESA-N 0 0 451.350 4.867 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001361082653 1066321565 /nfs/dbraw/zinc/32/15/65/1066321565.db2.gz IFRPAHRJJUECLX-YJYMSZOUSA-N 0 0 455.769 4.835 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001546064571 1066321693 /nfs/dbraw/zinc/32/16/93/1066321693.db2.gz RTHOTRUZOVQINM-HBTLOVQCSA-N 0 0 472.630 4.658 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545959394 1066321844 /nfs/dbraw/zinc/32/18/44/1066321844.db2.gz VGNNGQMKWUJAMF-ICSRJNTNSA-N 0 0 485.629 4.502 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)ccc1F ZINC001361083841 1066322007 /nfs/dbraw/zinc/32/20/07/1066322007.db2.gz GVDLPPKGICTUOE-RXVVDRJESA-N 0 0 487.620 4.850 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001454701281 1066322220 /nfs/dbraw/zinc/32/22/20/1066322220.db2.gz UOSTYMZQOFRWAT-SDHSZQHLSA-N 0 0 450.604 4.595 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)no1 ZINC001361083556 1066322213 /nfs/dbraw/zinc/32/22/13/1066322213.db2.gz GPSHBMZEJHIEGT-ROUUACIJSA-N 0 0 455.628 4.830 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](F)C1)Oc1cccc(F)c1 ZINC001545959410 1066322192 /nfs/dbraw/zinc/32/21/92/1066322192.db2.gz VKZXVDRJBDODOZ-SKDZVZGDSA-N 0 0 480.357 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C1 ZINC001443517669 1066322375 /nfs/dbraw/zinc/32/23/75/1066322375.db2.gz NDVLZQIWWXEXSN-UHFFFAOYSA-N 0 0 459.490 4.869 20 0 JJADRN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc2)cc1 ZINC001443517756 1066322427 /nfs/dbraw/zinc/32/24/27/1066322427.db2.gz SWAXYAYPBQLCGI-UHFFFAOYSA-N 0 0 456.486 4.824 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCCO)CC2)ccc1F ZINC001361083988 1066322662 /nfs/dbraw/zinc/32/26/62/1066322662.db2.gz HZCQPRXHABIQKR-FYYLOGMGSA-N 0 0 458.622 4.681 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCO[C@@H](CCF)C3)cc12 ZINC001454705683 1066322571 /nfs/dbraw/zinc/32/25/71/1066322571.db2.gz CXCOWVNSRVMGLL-HNNXBMFYSA-N 0 0 456.370 4.962 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001454706990 1066323172 /nfs/dbraw/zinc/32/31/72/1066323172.db2.gz IRNVNSIWDMRQFN-BRWVUGGUSA-N 0 0 451.514 4.966 20 0 JJADRN Cc1ccc(C(=O)NCCC(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c(O)c1 ZINC001454706068 1066323249 /nfs/dbraw/zinc/32/32/49/1066323249.db2.gz FUCXUDSSFQAHOQ-ZIAGYGMSSA-N 0 0 455.502 4.752 20 0 JJADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001443529986 1066323248 /nfs/dbraw/zinc/32/32/48/1066323248.db2.gz HUOBJOZBXQWLOJ-HNNXBMFYSA-N 0 0 456.587 4.770 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@H](C)C2)cs1 ZINC001361084571 1066323198 /nfs/dbraw/zinc/32/31/98/1066323198.db2.gz VMZDFCYXINYZLI-SMOSDQRPSA-N 0 0 459.660 4.949 20 0 JJADRN CSc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccc(F)c(F)c2)c1 ZINC001361085045 1066323499 /nfs/dbraw/zinc/32/34/99/1066323499.db2.gz FATVEKQNZPTOOG-KOSHJBKYSA-N 0 0 452.526 4.945 20 0 JJADRN COc1cccc(CO[C@H](C)C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001454709160 1066323538 /nfs/dbraw/zinc/32/35/38/1066323538.db2.gz DWZKGTIJLKETOR-QUCCMNQESA-N 0 0 454.567 4.646 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001454709154 1066323898 /nfs/dbraw/zinc/32/38/98/1066323898.db2.gz DWZKGTIJLKETOR-AZUAARDMSA-N 0 0 454.567 4.646 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531700 1066323984 /nfs/dbraw/zinc/32/39/84/1066323984.db2.gz NTARGJPXZNBORG-YWZLYKJASA-N 0 0 451.405 4.850 20 0 JJADRN C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(I)c(Br)c1 ZINC001361085262 1066324015 /nfs/dbraw/zinc/32/40/15/1066324015.db2.gz LDRHIZFWHMEOGI-NSHDSACASA-N 0 0 456.121 4.641 20 0 JJADRN C/C(=C\c1ccncc1)C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001361085325 1066324155 /nfs/dbraw/zinc/32/41/55/1066324155.db2.gz AQFLDMWRSDALPK-JLHYYAGUSA-N 0 0 456.365 4.642 20 0 JJADRN C/C(=C/c1ccncc1)C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001361085326 1066324361 /nfs/dbraw/zinc/32/43/61/1066324361.db2.gz AQFLDMWRSDALPK-RAXLEYEMSA-N 0 0 456.365 4.642 20 0 JJADRN C[C@@H](CNC(=O)C1CCC(OC[C@H]2CCCO2)CC1)Sc1ccc(Br)cc1 ZINC001443531725 1066324261 /nfs/dbraw/zinc/32/42/61/1066324261.db2.gz OEVGVQLVLFEGKN-NHFHULPWSA-N 0 0 456.446 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c2ccccc21 ZINC001454711381 1066324417 /nfs/dbraw/zinc/32/44/17/1066324417.db2.gz JVGOTDPPHCXJQW-IMSXRSKXSA-N 0 0 450.579 4.822 20 0 JJADRN COc1cc(C(=O)NC[C@@H](OC)C(C)(C)C)ccc1OCc1ccc(Br)cc1 ZINC001361085750 1066324528 /nfs/dbraw/zinc/32/45/28/1066324528.db2.gz FZLVORQKYOREKR-HXUWFJFHSA-N 0 0 450.373 4.828 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)cc2)c(C)c1C ZINC001454713399 1066324829 /nfs/dbraw/zinc/32/48/29/1066324829.db2.gz TVAZTGFWFBVBGA-NVJIOZQYSA-N 0 0 458.624 4.571 20 0 JJADRN CC[C@@](O)(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001454714646 1066325516 /nfs/dbraw/zinc/32/55/16/1066325516.db2.gz RCGWXMNUTIXXKY-GKVSMKOHSA-N 0 0 458.986 4.983 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001443534230 1066325667 /nfs/dbraw/zinc/32/56/67/1066325667.db2.gz YMNACPCBCOCSLU-LLVKDONJSA-N 0 0 451.283 4.549 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1 ZINC001443533617 1066325705 /nfs/dbraw/zinc/32/57/05/1066325705.db2.gz VATYCLYLGKQFRY-UHFFFAOYSA-N 0 0 456.384 4.871 20 0 JJADRN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001454716472 1066325984 /nfs/dbraw/zinc/32/59/84/1066325984.db2.gz WTSRZOWVYRFVKA-MRXNPFEDSA-N 0 0 454.596 4.610 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(CC(C)(C)C)n3CC3CCC(C(F)(F)F)CC3)CC2)no1 ZINC001361087263 1066326216 /nfs/dbraw/zinc/32/62/16/1066326216.db2.gz FFTIILNDOSZHQB-UHFFFAOYSA-N 0 0 482.595 4.854 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCSC2)n1CCc1nccs1 ZINC001361087315 1066326466 /nfs/dbraw/zinc/32/64/66/1066326466.db2.gz GNOAIFZITHELPW-SFHVURJKSA-N 0 0 478.087 4.892 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001443537862 1066326834 /nfs/dbraw/zinc/32/68/34/1066326834.db2.gz KAHSZSGRTYPPJO-XMSQKQJNSA-N 0 0 451.567 4.906 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Cc1ccncc1 ZINC001443541501 1066327197 /nfs/dbraw/zinc/32/71/97/1066327197.db2.gz RSWYULMSRMCDFY-FQEVSTJZSA-N 0 0 454.979 4.789 20 0 JJADRN CCCCc1ccc(-c2csc(NC(=O)C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 ZINC001443540992 1066327281 /nfs/dbraw/zinc/32/72/81/1066327281.db2.gz PZEYRHPEGRMXKM-DEOSSOPVSA-N 0 0 459.612 4.853 20 0 JJADRN COc1cc(C(=O)Nc2nc(C3CCOCC3)ns2)ccc1OCc1ccccc1Cl ZINC001454730920 1066327354 /nfs/dbraw/zinc/32/73/54/1066327354.db2.gz SPROHGDMJXACCM-UHFFFAOYSA-N 0 0 459.955 4.925 20 0 JJADRN COc1cccc(CC2CCN(C(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)CC2)c1 ZINC001454729819 1066327541 /nfs/dbraw/zinc/32/75/41/1066327541.db2.gz GTEVMDWGOLIOJG-UHFFFAOYSA-N 0 0 459.377 4.986 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)no3)cc2)o1 ZINC001443546740 1066327697 /nfs/dbraw/zinc/32/76/97/1066327697.db2.gz VHXJNSCDFMOMQC-UHFFFAOYSA-N 0 0 455.268 4.627 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)N[C@@H](CO)c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC001454731787 1066327857 /nfs/dbraw/zinc/32/78/57/1066327857.db2.gz QAUUMFBYXBUSED-IBGZPJMESA-N 0 0 450.482 4.620 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[C@@H]32)n1CCN(C)CC(F)(F)F ZINC001361087806 1066327961 /nfs/dbraw/zinc/32/79/61/1066327961.db2.gz CLVOJMPTYLWMKI-MJGOQNOKSA-N 0 0 485.982 4.734 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nc(Cc4ccccc4)ns3)sc2C1 ZINC001443543986 1066327944 /nfs/dbraw/zinc/32/79/44/1066327944.db2.gz JCRIUYPAQDOELJ-UHFFFAOYSA-N 0 0 456.593 4.736 20 0 JJADRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1occc1COc1ccccc1 ZINC001454734159 1066328319 /nfs/dbraw/zinc/32/83/19/1066328319.db2.gz UMYLMWAWFHKWOW-SFHVURJKSA-N 0 0 450.318 4.677 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC001454733463 1066328357 /nfs/dbraw/zinc/32/83/57/1066328357.db2.gz FUZBQMFJISAPOA-OAHLLOKOSA-N 0 0 453.402 4.767 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1cc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC001454734551 1066328572 /nfs/dbraw/zinc/32/85/72/1066328572.db2.gz HDCIAVPFLVSEFI-FQEVSTJZSA-N 0 0 453.514 4.737 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c2ccc(F)cc2)cc1 ZINC001361087855 1066328489 /nfs/dbraw/zinc/32/84/89/1066328489.db2.gz FPFUKYBDVVYVFQ-DEOSSOPVSA-N 0 0 453.535 4.537 20 0 JJADRN COc1cc(/C=C(/C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c2ccccc2)ccc1O ZINC001454737308 1066329046 /nfs/dbraw/zinc/32/90/46/1066329046.db2.gz JFSQLGDYDKOIAT-HWCPSQLRSA-N 0 0 451.469 4.866 20 0 JJADRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001454737716 1066329240 /nfs/dbraw/zinc/32/92/40/1066329240.db2.gz JJPMDGQPCIQXNY-QGZVFWFLSA-N 0 0 450.284 4.843 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)s1 ZINC001454740225 1066329317 /nfs/dbraw/zinc/32/93/17/1066329317.db2.gz OCJJIZBKSHVHNO-MTNREXPMSA-N 0 0 460.393 4.586 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)NC[C@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)sc21 ZINC001454737644 1066329477 /nfs/dbraw/zinc/32/94/77/1066329477.db2.gz VWURQIOCNAPCLP-GFCCVEGCSA-N 0 0 456.559 4.728 20 0 JJADRN C[C@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454742974 1066329934 /nfs/dbraw/zinc/32/99/34/1066329934.db2.gz YMDYHEHCSRLUKS-QPJICYPMSA-N 0 0 452.542 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC001454740851 1066330145 /nfs/dbraw/zinc/33/01/45/1066330145.db2.gz QOMKDFUWMVTOLH-IRLDBZIGSA-N 0 0 475.536 4.598 20 0 JJADRN CCc1ccc([C@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC001443571842 1066330189 /nfs/dbraw/zinc/33/01/89/1066330189.db2.gz TVYONTXPYFJCCW-CCLHPLFOSA-N 0 0 458.577 4.804 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](COC)OC)C1 ZINC001546064965 1066330371 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JEMHUNYYHHULED-LJQANCHMSA-N 0 0 488.076 4.937 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001454764350 1066331701 /nfs/dbraw/zinc/33/17/01/1066331701.db2.gz SRYJINCOUBSZNA-HBFSDRIKSA-N 0 0 462.775 4.582 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)C1 ZINC001443579642 1066331823 /nfs/dbraw/zinc/33/18/23/1066331823.db2.gz IWJCFVJDIVZLFX-FXAWDEMLSA-N 0 0 454.571 4.526 20 0 JJADRN O=C(c1ccc(NCCN2CCOCC2)c(F)c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001443582004 1066332022 /nfs/dbraw/zinc/33/20/22/1066332022.db2.gz KQQMWTINTXHAKJ-UHFFFAOYSA-N 0 0 457.565 4.684 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@H]1COCCO1 ZINC001361088597 1066332207 /nfs/dbraw/zinc/33/22/07/1066332207.db2.gz JSHVBKWKVZMTNC-FPOVZHCZSA-N 0 0 477.049 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1)Cc1ccccc1 ZINC001454770965 1066332353 /nfs/dbraw/zinc/33/23/53/1066332353.db2.gz OLZWAWDTSVIKLQ-QUCCMNQESA-N 0 0 452.473 4.747 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H]1CCSC1 ZINC001454769731 1066332491 /nfs/dbraw/zinc/33/24/91/1066332491.db2.gz CBAKPXCBAXKNQH-QYBDOPJKSA-N 0 0 452.620 4.953 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCO1 ZINC001361088697 1066332564 /nfs/dbraw/zinc/33/25/64/1066332564.db2.gz YSTJDWYKUMPSBW-LJQANCHMSA-N 0 0 476.046 4.832 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCC(C)(C)O ZINC001361088868 1066332972 /nfs/dbraw/zinc/33/29/72/1066332972.db2.gz MLWYDOZCZYYMJB-UNMCSNQZSA-N 0 0 477.049 4.560 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)C2)n1Cc1nccn1C(F)F ZINC001361088904 1066332991 /nfs/dbraw/zinc/33/29/91/1066332991.db2.gz NHBBRIVZYGTRIO-UHFFFAOYSA-N 0 0 486.901 4.737 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 ZINC001454776609 1066333347 /nfs/dbraw/zinc/33/33/47/1066333347.db2.gz GCVKDOBBHMFRRM-UHFFFAOYSA-N 0 0 459.015 4.694 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@@H](O)CC(C)(C)C2)c1=S ZINC001454778395 1066333684 /nfs/dbraw/zinc/33/36/84/1066333684.db2.gz KEEJBWCECTVLFR-SFHVURJKSA-N 0 0 451.036 4.544 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(O)c1)c1nc(-c2ccccc2)cs1 ZINC001443590414 1066333958 /nfs/dbraw/zinc/33/39/58/1066333958.db2.gz MPYKPYWYYNORKF-LLVKDONJSA-N 0 0 450.301 4.611 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001361088984 1066333957 /nfs/dbraw/zinc/33/39/57/1066333957.db2.gz OBJSYQKFNGIWQD-ILWGZMRPSA-N 0 0 491.076 4.664 20 0 JJADRN Cc1ncsc1CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001361089171 1066334384 /nfs/dbraw/zinc/33/43/84/1066334384.db2.gz QBMVHGGHYCZXSH-ROUUACIJSA-N 0 0 490.073 4.873 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCN(C)c1ccccc1)OC ZINC001545960416 1066334518 /nfs/dbraw/zinc/33/45/18/1066334518.db2.gz CKWDHAIWHTVFIS-QGZVFWFLSA-N 0 0 478.460 4.767 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1ccc(C)n(C)c1=O ZINC001361089221 1066334701 /nfs/dbraw/zinc/33/47/01/1066334701.db2.gz QVHPATVPDJGALW-NQIIRXRSSA-N 0 0 498.071 4.932 20 0 JJADRN CCN(C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443597154 1066335169 /nfs/dbraw/zinc/33/51/69/1066335169.db2.gz BEEHOPXLXUPXFU-RLSPIHMPSA-N 0 0 471.548 4.991 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001454827577 1066335589 /nfs/dbraw/zinc/33/55/89/1066335589.db2.gz KHIXSVNFXOFHHS-FNLKRUPLSA-N 0 0 453.583 4.932 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1ccn(C)n1 ZINC001361089486 1066335625 /nfs/dbraw/zinc/33/56/25/1066335625.db2.gz VRKWQOCJFACRSS-UHFFFAOYSA-N 0 0 495.842 4.933 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1C[C@](C)(O)c1cccs1 ZINC001361089450 1066335734 /nfs/dbraw/zinc/33/57/34/1066335734.db2.gz USOMJMFHCFNBBU-QHCPKHFHSA-N 0 0 461.031 4.821 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC[C@H]1COCCO1 ZINC001361089488 1066335853 /nfs/dbraw/zinc/33/58/53/1066335853.db2.gz VSDLWUCMHPMZQM-KNKQGSTJSA-N 0 0 477.049 4.539 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001546065841 1066336709 /nfs/dbraw/zinc/33/67/09/1066336709.db2.gz AOYWELFNPOEYGH-ZEVJAHDQSA-N 0 0 456.631 4.536 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nnc(C)s2)C1 ZINC001546065830 1066336727 /nfs/dbraw/zinc/33/67/27/1066336727.db2.gz AHXBXALIJQDMKX-HSZRJFAPSA-N 0 0 456.616 4.576 20 0 JJADRN CCN(C(=O)c1c(Br)nc2n1CCCC2)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001443608215 1066337256 /nfs/dbraw/zinc/33/72/56/1066337256.db2.gz XOAGBNACLXXHLR-HXUWFJFHSA-N 0 0 453.384 4.937 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC(C)(C)C(C)C ZINC001361089654 1066337441 /nfs/dbraw/zinc/33/74/41/1066337441.db2.gz ZBZUUHQKXSVQFT-RUZDIDTESA-N 0 0 476.065 4.635 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 ZINC001454879262 1066337691 /nfs/dbraw/zinc/33/76/91/1066337691.db2.gz NAWSWACTRLJNNC-NSISKUIASA-N 0 0 456.633 4.894 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC001361089708 1066337752 /nfs/dbraw/zinc/33/77/52/1066337752.db2.gz AEIKJHRTEFHKHU-PGRDOPGGSA-N 0 0 456.608 4.902 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3CC[C@@H](c4ccccc4F)C3(C)C)cc21 ZINC001454882026 1066337877 /nfs/dbraw/zinc/33/78/77/1066337877.db2.gz SCSFGEUIVGGDMI-HKUYNNGSSA-N 0 0 456.562 4.790 20 0 JJADRN COc1cc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1O ZINC001443618548 1066338206 /nfs/dbraw/zinc/33/82/06/1066338206.db2.gz IZXRUVSRNMASDM-QFIPXVFZSA-N 0 0 451.567 4.730 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001454887815 1066338476 /nfs/dbraw/zinc/33/84/76/1066338476.db2.gz KDLBRXAZOIUYNB-HNNXBMFYSA-N 0 0 451.350 4.678 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001361090153 1066338622 /nfs/dbraw/zinc/33/86/22/1066338622.db2.gz BKHAXYIZKPPYMR-ZUQCGGBESA-N 0 0 499.146 4.740 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC001443621700 1066338710 /nfs/dbraw/zinc/33/87/10/1066338710.db2.gz VFBNGTKWGHYTFR-UHFFFAOYSA-N 0 0 454.368 4.767 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)OC ZINC001545960582 1066338856 /nfs/dbraw/zinc/33/88/56/1066338856.db2.gz GOQSJESEIYSGAC-SJORKVTESA-N 0 0 495.418 4.911 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2Nc2ccn(C)n2)sc1C ZINC001361090702 1066338854 /nfs/dbraw/zinc/33/88/54/1066338854.db2.gz HJCXAJGWAJCULU-UHFFFAOYSA-N 0 0 472.018 4.850 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CC1(C)CCOCC1 ZINC001361090453 1066338888 /nfs/dbraw/zinc/33/88/88/1066338888.db2.gz FDVRIXXBOHEHFW-QUCCMNQESA-N 0 0 465.013 4.862 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@H]1CC[C@H](F)C1 ZINC001361090743 1066339489 /nfs/dbraw/zinc/33/94/89/1066339489.db2.gz IKYMWNLOVGQZML-HKUYNNGSSA-N 0 0 453.027 4.943 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)NCCCc2c[nH]c3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001443628127 1066339480 /nfs/dbraw/zinc/33/94/80/1066339480.db2.gz BIMGUUROWQDAKS-NZQKXSOJSA-N 0 0 457.496 4.845 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCC(F)F)C1 ZINC001546066165 1066339892 /nfs/dbraw/zinc/33/98/92/1066339892.db2.gz HZXXLNSLHOEOJS-XMMPIXPASA-N 0 0 457.525 4.667 20 0 JJADRN O=C(c1noc(-c2ccc(F)cc2)n1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443630474 1066340054 /nfs/dbraw/zinc/34/00/54/1066340054.db2.gz HWTPZJAHBMXPIQ-UHFFFAOYSA-N 0 0 457.868 4.597 20 0 JJADRN Cc1c(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)sc2cccc(F)c12 ZINC001454902461 1066340693 /nfs/dbraw/zinc/34/06/93/1066340693.db2.gz BCQLXBKOIQCAAU-HZPDHXFCSA-N 0 0 457.571 4.670 20 0 JJADRN Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c3cc4cccc(Cl)c4s3)C2)cn1 ZINC001454902062 1066340726 /nfs/dbraw/zinc/34/07/26/1066340726.db2.gz AETWNESUNFYVJJ-HOTGVXAUSA-N 0 0 459.999 4.876 20 0 JJADRN Cc1cc2c(CC(=O)N3C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c4cnn(C)c4)C3)csc2s1 ZINC001454903985 1066340922 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JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC(C)(F)F ZINC001361091705 1066341593 /nfs/dbraw/zinc/34/15/93/1066341593.db2.gz SNDYLEZKZNKCDK-CALCHBBNSA-N 0 0 456.965 4.910 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCOC2)C1 ZINC001546066539 1066341556 /nfs/dbraw/zinc/34/15/56/1066341556.db2.gz QBYCZBAZYNFDGL-KSFYIVLOSA-N 0 0 463.420 4.769 20 0 JJADRN O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001443634561 1066341704 /nfs/dbraw/zinc/34/17/04/1066341704.db2.gz SXYCPBDTHOYTJT-UHFFFAOYSA-N 0 0 450.292 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H]1OCCC1(C)C ZINC001361091853 1066341933 /nfs/dbraw/zinc/34/19/33/1066341933.db2.gz VWZQNQUQWPZYTF-GOTSBHOMSA-N 0 0 491.076 4.928 20 0 JJADRN Cc1ccccc1C1=NO[C@H](C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)C1 ZINC001443637866 1066342234 /nfs/dbraw/zinc/34/22/34/1066342234.db2.gz ZQAQOUOAOBPUMV-QHCPKHFHSA-N 0 0 454.933 4.596 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C)C(=O)C2)n1CCCC1CCCC1 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CC(C)n1cnnc1[C@H]1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC001443682896 1066349359 /nfs/dbraw/zinc/34/93/59/1066349359.db2.gz RVNVUIYDMRPRRM-SFHVURJKSA-N 0 0 457.372 4.560 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001443681794 1066349401 /nfs/dbraw/zinc/34/94/01/1066349401.db2.gz UBKANLDEWXLCAZ-UHFFFAOYSA-N 0 0 450.764 4.655 20 0 JJADRN Cc1ccsc1C(=O)Nc1ccc(OC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001443684970 1066349782 /nfs/dbraw/zinc/34/97/82/1066349782.db2.gz DPVPLDWXYJHGCJ-UHFFFAOYSA-N 0 0 450.335 4.921 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc3scc(Br)c3c2)C1 ZINC001443686128 1066350347 /nfs/dbraw/zinc/35/03/47/1066350347.db2.gz GOTNCSONYSEEDE-GFCCVEGCSA-N 0 0 451.415 4.584 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)c2c1 ZINC001443687731 1066350389 /nfs/dbraw/zinc/35/03/89/1066350389.db2.gz PKBPRLJGNNLHCJ-UHFFFAOYSA-N 0 0 453.583 4.840 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC001443686007 1066350507 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DUQVJPCMGZCRMS-UHFFFAOYSA-N 0 0 458.971 4.693 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)c1 ZINC001361102675 1066352065 /nfs/dbraw/zinc/35/20/65/1066352065.db2.gz BFFFXIRXSNSPEL-IZAXUBKRSA-N 0 0 486.020 4.675 20 0 JJADRN CC(C)N(CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1)C(=O)OC(C)(C)C ZINC001443697148 1066352162 /nfs/dbraw/zinc/35/21/62/1066352162.db2.gz NLNOZYVOOAVTNH-UHFFFAOYSA-N 0 0 456.356 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001443698162 1066352231 /nfs/dbraw/zinc/35/22/31/1066352231.db2.gz LQJPHRPYDPFBJT-ZJSXRUAMSA-N 0 0 451.007 4.840 20 0 JJADRN CC(C)CC(=O)N1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC001455007235 1066352401 /nfs/dbraw/zinc/35/24/01/1066352401.db2.gz FLQULDFRQMOIRJ-UHFFFAOYSA-N 0 0 459.384 4.962 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@H](C)C1)OC ZINC001545961241 1066352675 /nfs/dbraw/zinc/35/26/75/1066352675.db2.gz RFXPHQOREMHYEP-GDBMZVCRSA-N 0 0 477.428 4.982 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC(=O)c3ccccc32)CC1 ZINC001443699045 1066352844 /nfs/dbraw/zinc/35/28/44/1066352844.db2.gz KGBSBAXXWVHXJN-VXKWHMMOSA-N 0 0 455.396 4.805 20 0 JJADRN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1 ZINC001455008631 1066353035 /nfs/dbraw/zinc/35/30/35/1066353035.db2.gz LLENQZYRPROTEB-UAPYVXQJSA-N 0 0 456.970 4.967 20 0 JJADRN CC[C@]1(C(=O)Nc2cccc(CSCCC(=O)OC)c2)CCCN1C(=O)OC(C)(C)C ZINC001443701361 1066353412 /nfs/dbraw/zinc/35/34/12/1066353412.db2.gz DYQZTEODIZJGEZ-HSZRJFAPSA-N 0 0 450.601 4.601 20 0 JJADRN Cc1nc(Cc2nnc(N(C)c3cccc(C)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001361103319 1066353389 /nfs/dbraw/zinc/35/33/89/1066353389.db2.gz ZUBGHMLIUZXIBO-KRWDZBQOSA-N 0 0 470.643 4.966 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCN(C(=O)CC(C)C)CC2)cc1 ZINC001455012925 1066353840 /nfs/dbraw/zinc/35/38/40/1066353840.db2.gz YELLBBPWIDNOLE-UHFFFAOYSA-N 0 0 458.606 4.627 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)C12CCCC2 ZINC001361104315 1066353867 /nfs/dbraw/zinc/35/38/67/1066353867.db2.gz MQFSFZGMQGWYGO-XZOQPEGZSA-N 0 0 458.668 4.943 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C12CCCC2 ZINC001361104831 1066354118 /nfs/dbraw/zinc/35/41/18/1066354118.db2.gz TYEQHQYPPSTTJH-HUUCEWRRSA-N 0 0 459.324 4.676 20 0 JJADRN Cc1cc(N2CCN(c3nnc(Cc4ccccn4)n3CCCC(C)(C)C)CC2)nc(C(C)C)n1 ZINC001361105343 1066354171 /nfs/dbraw/zinc/35/41/71/1066354171.db2.gz GRFODWRKRJQIIJ-UHFFFAOYSA-N 0 0 476.673 4.639 20 0 JJADRN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001455025485 1066354047 /nfs/dbraw/zinc/35/40/47/1066354047.db2.gz JFFDQDXWEJFCPG-QGZVFWFLSA-N 0 0 454.354 4.770 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC001455018101 1066354255 /nfs/dbraw/zinc/35/42/55/1066354255.db2.gz HLNVKAGJMNAWNC-UHFFFAOYSA-N 0 0 456.340 4.708 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(CC4CC4)[nH]n3)c2)cc1C ZINC001455033236 1066354705 /nfs/dbraw/zinc/35/47/05/1066354705.db2.gz YRKLPJXZCJUCFZ-UHFFFAOYSA-N 0 0 458.971 4.686 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Cn2c3ccccc3nc2C2CCCCC2)C1 ZINC001443706226 1066354731 /nfs/dbraw/zinc/35/47/31/1066354731.db2.gz SQAJEQKIWIUMOF-LJQANCHMSA-N 0 0 454.615 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361106018 1066354831 /nfs/dbraw/zinc/35/48/31/1066354831.db2.gz AHHHFVVTCDMFLE-OALUTQOASA-N 0 0 477.531 4.695 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCC3(C)C)CC2)nc(C(C)C)n1 ZINC001361105706 1066354927 /nfs/dbraw/zinc/35/49/27/1066354927.db2.gz TYDXHARSDNXJGP-OAQYLSRUSA-N 0 0 453.679 4.851 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1)OC ZINC001545961268 1066355028 /nfs/dbraw/zinc/35/50/28/1066355028.db2.gz RPJHPTTTXIDGFH-MGPUTAFESA-N 0 0 471.827 4.791 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc(CN=S2(=O)CCCC2)c1)C(C)(C)C ZINC001455043205 1066355095 /nfs/dbraw/zinc/35/50/95/1066355095.db2.gz DQYDZBUDUOEQOM-IBGZPJMESA-N 0 0 451.633 4.716 20 0 JJADRN COc1n[nH]c(NC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Br ZINC001455053802 1066355597 /nfs/dbraw/zinc/35/55/97/1066355597.db2.gz XASXRHDOHQRFQC-IHWYPQMZSA-N 0 0 458.156 4.870 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 ZINC001443715896 1066355795 /nfs/dbraw/zinc/35/57/95/1066355795.db2.gz ILQDXWFNEJXKQJ-UHFFFAOYSA-N 0 0 450.764 4.872 20 0 JJADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001443710996 1066355867 /nfs/dbraw/zinc/35/58/67/1066355867.db2.gz LHRFXGVTHYKKDC-JSJZUPIVSA-N 0 0 454.720 4.956 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC001361107085 1066356319 /nfs/dbraw/zinc/35/63/19/1066356319.db2.gz OGSVEYORVBQWFB-CQSZACIVSA-N 0 0 450.482 4.959 20 0 JJADRN CCC(CC)(NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 ZINC001443718453 1066356541 /nfs/dbraw/zinc/35/65/41/1066356541.db2.gz KNPADGJWKBQRGW-QZTJIDSGSA-N 0 0 453.391 4.829 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001361107375 1066356433 /nfs/dbraw/zinc/35/64/33/1066356433.db2.gz RNZWFUJTHUHDSZ-UHFFFAOYSA-N 0 0 452.986 4.919 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CCOCC2)c1 ZINC001361107306 1066356483 /nfs/dbraw/zinc/35/64/83/1066356483.db2.gz LXKLUZLNKFAOTN-GOSISDBHSA-N 0 0 455.990 4.632 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)nc21 ZINC001455071953 1066357464 /nfs/dbraw/zinc/35/74/64/1066357464.db2.gz RDBXTUHMBXODIX-QGZVFWFLSA-N 0 0 457.552 4.826 20 0 JJADRN O=C(CCc1nnc(-c2ccsc2)o1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443725708 1066357538 /nfs/dbraw/zinc/35/75/38/1066357538.db2.gz JIPLYQXJNFBWDY-MRXNPFEDSA-N 0 0 456.326 4.777 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NCc3ncc(Br)s3)s2)cc1 ZINC001455078765 1066357905 /nfs/dbraw/zinc/35/79/05/1066357905.db2.gz ZJIVFJYEABCWPK-UHFFFAOYSA-N 0 0 452.399 4.920 20 0 JJADRN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443725929 1066357878 /nfs/dbraw/zinc/35/78/78/1066357878.db2.gz KEJQVIYFLNHRDY-OAHLLOKOSA-N 0 0 453.219 4.682 20 0 JJADRN Cc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)CC2)n1 ZINC001361109650 1066358107 /nfs/dbraw/zinc/35/81/07/1066358107.db2.gz CPJGJMCNVSZQJC-IBGZPJMESA-N 0 0 483.686 4.519 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001361109544 1066358116 /nfs/dbraw/zinc/35/81/16/1066358116.db2.gz AGZGYCDTFARODM-KRWDZBQOSA-N 0 0 452.521 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC001361109536 1066358162 /nfs/dbraw/zinc/35/81/62/1066358162.db2.gz AEINVJBXLGGTBD-HSZRJFAPSA-N 0 0 481.685 4.872 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC001455082487 1066358258 /nfs/dbraw/zinc/35/82/58/1066358258.db2.gz OBXMEACWKZZJQL-ZEQRLZLVSA-N 0 0 454.586 4.607 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001361109708 1066358338 /nfs/dbraw/zinc/35/83/38/1066358338.db2.gz DRUOSXXPHSLKSE-IBGZPJMESA-N 0 0 470.639 4.542 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1)c1ccc(Br)o1 ZINC001455080333 1066358584 /nfs/dbraw/zinc/35/85/84/1066358584.db2.gz RQPHFSJYTLIMIK-ZIAGYGMSSA-N 0 0 457.246 4.921 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443728196 1066358703 /nfs/dbraw/zinc/35/87/03/1066358703.db2.gz INTVSTLEIQUDNY-SJORKVTESA-N 0 0 453.421 4.733 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(C)c1 ZINC001455087261 1066359174 /nfs/dbraw/zinc/35/91/74/1066359174.db2.gz YBSRXTPWCUYKSO-GOTSBHOMSA-N 0 0 456.652 4.759 20 0 JJADRN C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)c1nc(C(C)(C)C)cs1 ZINC001443730565 1066359265 /nfs/dbraw/zinc/35/92/65/1066359265.db2.gz QUKSYLIGLFMXFR-WHDAMIPWSA-N 0 0 457.459 4.968 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC001361110789 1066360131 /nfs/dbraw/zinc/36/01/31/1066360131.db2.gz SOOXBLWUJLYBSK-KRWDZBQOSA-N 0 0 464.536 4.641 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361110731 1066360229 /nfs/dbraw/zinc/36/02/29/1066360229.db2.gz RHNXEBWWLUFXRZ-FDDCHVKYSA-N 0 0 468.564 4.782 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)C2)c1 ZINC001455101326 1066360935 /nfs/dbraw/zinc/36/09/35/1066360935.db2.gz LPSUXHRNZLENLH-RLWLMLJZSA-N 0 0 457.615 4.586 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1 ZINC001455101864 1066361063 /nfs/dbraw/zinc/36/10/63/1066361063.db2.gz YPSPGZVLQSHBET-VGYIUAJSSA-N 0 0 457.615 4.684 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N(C)CC3CCCC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001361110986 1066361033 /nfs/dbraw/zinc/36/10/33/1066361033.db2.gz VEHMSAHUCBIBTR-QFQXNSOFSA-N 0 0 456.631 4.721 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccs2)c1 ZINC001361111441 1066361487 /nfs/dbraw/zinc/36/14/87/1066361487.db2.gz ZVPQCZNOJPUVKN-UHFFFAOYSA-N 0 0 490.633 4.788 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)c1 ZINC001443738383 1066361266 /nfs/dbraw/zinc/36/12/66/1066361266.db2.gz XEKURNWTMRLSMI-HNNXBMFYSA-N 0 0 451.792 4.559 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)c1 ZINC001443738511 1066361317 /nfs/dbraw/zinc/36/13/17/1066361317.db2.gz XQTCTLCCLPFNHC-HNNXBMFYSA-N 0 0 451.792 4.939 20 0 JJADRN C[C@H](C(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001455104843 1066361380 /nfs/dbraw/zinc/36/13/80/1066361380.db2.gz HDMANJJXNBJMQP-YCRPNKLZSA-N 0 0 450.539 4.917 20 0 JJADRN C[C@H](C(=O)Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001455104838 1066361436 /nfs/dbraw/zinc/36/14/36/1066361436.db2.gz HDMANJJXNBJMQP-BTYIYWSLSA-N 0 0 450.539 4.917 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)cc2C1 ZINC001455103898 1066361664 /nfs/dbraw/zinc/36/16/64/1066361664.db2.gz WOCKWEZSISJWMS-QLXKLKPCSA-N 0 0 459.631 4.705 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001361111573 1066361801 /nfs/dbraw/zinc/36/18/01/1066361801.db2.gz WJYLFSAJBIKIQP-UWSIMGETSA-N 0 0 458.986 4.622 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@]3(C)C3CCCCC3)ccc2C)cc1 ZINC001455107093 1066362115 /nfs/dbraw/zinc/36/21/15/1066362115.db2.gz DLWCALILZQBQQT-RUZDIDTESA-N 0 0 456.608 4.989 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)Cc1nc(C(F)(F)F)cs1 ZINC001443755697 1066362392 /nfs/dbraw/zinc/36/23/92/1066362392.db2.gz JQTMDNBLPUPSDK-UHFFFAOYSA-N 0 0 455.502 4.709 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC001443757609 1066362463 /nfs/dbraw/zinc/36/24/63/1066362463.db2.gz HVPDHFVJGLUXFF-YFHOEESVSA-N 0 0 456.586 4.545 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N[C@H]2COc3cccc(Br)c3C2)CCCCCC1 ZINC001455109076 1066362643 /nfs/dbraw/zinc/36/26/43/1066362643.db2.gz FHPJSNWTEONQJL-OAHLLOKOSA-N 0 0 452.389 4.551 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(C3CCCC3)n2CCC(=O)N2CCCCCC2)c1 ZINC001361112333 1066362779 /nfs/dbraw/zinc/36/27/79/1066362779.db2.gz UANPIRMCIUMYDN-UHFFFAOYSA-N 0 0 453.631 4.552 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)c1-c1ccccc1 ZINC001455114013 1066363140 /nfs/dbraw/zinc/36/31/40/1066363140.db2.gz PALLKMXFRIJCGK-INIZCTEOSA-N 0 0 454.368 4.801 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001443760163 1066362919 /nfs/dbraw/zinc/36/29/19/1066362919.db2.gz NIBBHRFDZSBJFI-ZWCUEREDSA-N 0 0 455.599 4.744 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCCc1nc(C)cs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760145 1066363233 /nfs/dbraw/zinc/36/32/33/1066363233.db2.gz SPROJVHIMFATQQ-KBMIEXCESA-N 0 0 455.668 4.786 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)n1 ZINC001361112609 1066363461 /nfs/dbraw/zinc/36/34/61/1066363461.db2.gz CEEVQNCVMHDVOO-LBPRGKRZSA-N 0 0 456.474 4.946 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(Br)c(Cl)c2F)n1 ZINC001361112593 1066363478 /nfs/dbraw/zinc/36/34/78/1066363478.db2.gz BJELIYJIGFRZLC-SECBINFHSA-N 0 0 454.683 4.791 20 0 JJADRN O=C(CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)CC1CCCCC1 ZINC001455123666 1066363472 /nfs/dbraw/zinc/36/34/72/1066363472.db2.gz KKBLIQXTIRUDBR-UHFFFAOYSA-N 0 0 458.400 4.783 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccnc2)c1 ZINC001361112894 1066363992 /nfs/dbraw/zinc/36/39/92/1066363992.db2.gz BLBALCVERXZFNE-DNQXCXABSA-N 0 0 463.626 4.658 20 0 JJADRN C[C@H](CCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001443765440 1066364380 /nfs/dbraw/zinc/36/43/80/1066364380.db2.gz IHNKQPSBLMDWGH-QRVBRYPASA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(CC(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361113267 1066364384 /nfs/dbraw/zinc/36/43/84/1066364384.db2.gz HIHPOWNJWSNRQG-UHFFFAOYSA-N 0 0 459.635 4.557 20 0 JJADRN COc1ccccc1[C@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccccc1 ZINC001443766351 1066364542 /nfs/dbraw/zinc/36/45/42/1066364542.db2.gz OIOSCHSOJOYMHI-JWQCQUIFSA-N 0 0 458.558 4.948 20 0 JJADRN CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)(c2ccccc2)C1 ZINC001455143494 1066365056 /nfs/dbraw/zinc/36/50/56/1066365056.db2.gz YCMGBGBTKVUTDO-UHFFFAOYSA-N 0 0 456.411 4.860 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C ZINC001443770234 1066365375 /nfs/dbraw/zinc/36/53/75/1066365375.db2.gz NOQKOJLDEDHVRT-NBGIEHNGSA-N 0 0 450.595 4.705 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccn1 ZINC001455153303 1066365515 /nfs/dbraw/zinc/36/55/15/1066365515.db2.gz ITHJEAPVGMHNCV-AVRDEDQJSA-N 0 0 457.615 4.901 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccn1 ZINC001455153318 1066365618 /nfs/dbraw/zinc/36/56/18/1066365618.db2.gz ITHJEAPVGMHNCV-XMSQKQJNSA-N 0 0 457.615 4.901 20 0 JJADRN C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)Oc1ccc(Cl)cc1 ZINC001361114788 1066365772 /nfs/dbraw/zinc/36/57/72/1066365772.db2.gz REJVPUODGLCJDQ-MRXNPFEDSA-N 0 0 453.963 4.539 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)NCCN=[S@@](=O)(c2ccccc2)C(F)(F)F)cs1 ZINC001455149427 1066365857 /nfs/dbraw/zinc/36/58/57/1066365857.db2.gz FQWIPXOAIDUUQG-SSEXGKCCSA-N 0 0 453.511 4.895 20 0 JJADRN CC[C@@H](C)Oc1cc(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccn1 ZINC001455153310 1066365876 /nfs/dbraw/zinc/36/58/76/1066365876.db2.gz ITHJEAPVGMHNCV-GCJKJVERSA-N 0 0 457.615 4.901 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)NCC(=O)c2sc3ccccc3c2Cl)c(Cl)c1 ZINC001455157774 1066366386 /nfs/dbraw/zinc/36/63/86/1066366386.db2.gz JLXAAZTUSLTGDD-UHFFFAOYSA-N 0 0 450.347 4.914 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NC[C@@H](C)Oc3ccc(Br)cc3)c2)cn1 ZINC001361114526 1066366128 /nfs/dbraw/zinc/36/61/28/1066366128.db2.gz LTHXNZIQGLMYPX-QGZVFWFLSA-N 0 0 455.352 4.929 20 0 JJADRN COC(=O)c1ccc(OCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC001443772848 1066366303 /nfs/dbraw/zinc/36/63/03/1066366303.db2.gz XBZGGUKTACCHOU-UHFFFAOYSA-N 0 0 455.595 4.902 20 0 JJADRN Cn1ccc(Nc2ccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC001443770879 1066366335 /nfs/dbraw/zinc/36/63/35/1066366335.db2.gz QJZRYGUIISIAMK-UHFFFAOYSA-N 0 0 458.393 4.865 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CCOc3c(C)cccc3C)CC2)s1 ZINC001361115204 1066366577 /nfs/dbraw/zinc/36/65/77/1066366577.db2.gz BDQDDDZLIXVLRW-UHFFFAOYSA-N 0 0 481.666 4.604 20 0 JJADRN CCOc1ccccc1Oc1ccccc1C(=O)N1CCCN(c2nc(CC)ns2)CC1 ZINC001361114914 1066366626 /nfs/dbraw/zinc/36/66/26/1066366626.db2.gz UTTXFEPRIPNKBR-UHFFFAOYSA-N 0 0 452.580 4.644 20 0 JJADRN Cc1cc2cc(Cn3c(N4C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)ccc2[nH]1 ZINC001361115324 1066366721 /nfs/dbraw/zinc/36/67/21/1066366721.db2.gz GRVNLEBCQGVOHH-IIBYNOLFSA-N 0 0 466.630 4.763 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)NCC(=O)c2sc3ccccc3c2Cl)cc1 ZINC001455161894 1066366777 /nfs/dbraw/zinc/36/67/77/1066366777.db2.gz WXFUZOBZRPCIIO-UHFFFAOYSA-N 0 0 459.951 4.888 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)c2cccs2)cc1 ZINC001455164319 1066366833 /nfs/dbraw/zinc/36/68/33/1066366833.db2.gz AYNUJHYRYBBJDJ-QHCPKHFHSA-N 0 0 458.624 4.788 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cs1 ZINC001443776280 1066366823 /nfs/dbraw/zinc/36/68/23/1066366823.db2.gz ZXFCCFCSOIJRAD-UHFFFAOYSA-N 0 0 451.658 4.520 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)cn2)C1 ZINC001443779431 1066367054 /nfs/dbraw/zinc/36/70/54/1066367054.db2.gz RSTQCVTXIQQTMM-NVQXNPDNSA-N 0 0 452.599 4.649 20 0 JJADRN Cc1ccn2cc(Cn3c(CC(C)C)nnc3N(C)Cc3cccc(OC(F)F)c3)nc2c1 ZINC001361115706 1066367086 /nfs/dbraw/zinc/36/70/86/1066367086.db2.gz QJTVOARPBGCNDL-UHFFFAOYSA-N 0 0 454.525 4.719 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3CCc3ccc(F)cc3)CC2)s1 ZINC001361116397 1066367398 /nfs/dbraw/zinc/36/73/98/1066367398.db2.gz AALRRJRRDCJNHM-UHFFFAOYSA-N 0 0 469.630 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1(C)C ZINC001455166965 1066367494 /nfs/dbraw/zinc/36/74/94/1066367494.db2.gz NHLBJSRNUSLJLM-AZUAARDMSA-N 0 0 451.592 4.940 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001545962285 1066367599 /nfs/dbraw/zinc/36/75/99/1066367599.db2.gz ADZJSMUQIZJBQQ-IBGZPJMESA-N 0 0 473.618 4.545 20 0 JJADRN C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)CC1SC(=N)NC1=O ZINC001455176969 1066367848 /nfs/dbraw/zinc/36/78/48/1066367848.db2.gz KSUSCPGEEJWEIZ-APPDUMDISA-N 0 0 452.363 4.862 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3CC(C)(C)c3cccs3)CC2)s1 ZINC001361116910 1066367900 /nfs/dbraw/zinc/36/79/00/1066367900.db2.gz TZWLUVJGFJYOPT-UHFFFAOYSA-N 0 0 457.669 4.773 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3Cc3sccc3C)CC2)s1 ZINC001361116774 1066368102 /nfs/dbraw/zinc/36/81/02/1066368102.db2.gz PCYLTFAGVPEABO-UHFFFAOYSA-N 0 0 457.669 4.617 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3sccc3Br)CC2)s1 ZINC001361116584 1066368152 /nfs/dbraw/zinc/36/81/52/1066368152.db2.gz HCUHDABVUPPJHK-UHFFFAOYSA-N 0 0 494.484 4.606 20 0 JJADRN COc1cccc(CNC(=O)c2cccc(CSc3nccn3C)c2)c1OC1CCCC1 ZINC001443786992 1066368385 /nfs/dbraw/zinc/36/83/85/1066368385.db2.gz IHIWRMUVTKFWNJ-UHFFFAOYSA-N 0 0 451.592 4.972 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001443788044 1066368477 /nfs/dbraw/zinc/36/84/77/1066368477.db2.gz LYDTUUSOQPSQOM-QFBILLFUSA-N 0 0 451.995 4.601 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2)no1 ZINC001443786317 1066368664 /nfs/dbraw/zinc/36/86/64/1066368664.db2.gz HFUUBQOYFJFGFR-UHFFFAOYSA-N 0 0 450.495 4.507 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(F)F)CC2)s1 ZINC001361117853 1066368856 /nfs/dbraw/zinc/36/88/56/1066368856.db2.gz OWBRCIXOZHWYLK-UHFFFAOYSA-N 0 0 494.011 4.900 20 0 JJADRN COc1ccccc1[C@@H](C)CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC001443790468 1066368861 /nfs/dbraw/zinc/36/88/61/1066368861.db2.gz RROUUDLZLPGTSD-SFHVURJKSA-N 0 0 451.954 4.905 20 0 JJADRN O=C(CC1(CC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CCCCC1)Nc1nccs1 ZINC001443788213 1066369055 /nfs/dbraw/zinc/36/90/55/1066369055.db2.gz HKQURJKNLLIGCH-UHFFFAOYSA-N 0 0 458.559 4.717 20 0 JJADRN COc1cccc(CNC(=O)c2cc(Cl)cc(Br)c2N)c1OC1CCCC1 ZINC001443790668 1066369084 /nfs/dbraw/zinc/36/90/84/1066369084.db2.gz VHUJWJYILRCAND-UHFFFAOYSA-N 0 0 453.764 4.945 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)(F)F)n3)CC2)s1 ZINC001361117459 1066368965 /nfs/dbraw/zinc/36/89/65/1066368965.db2.gz HIXBRIHUYBBPCP-UHFFFAOYSA-N 0 0 492.571 4.632 20 0 JJADRN CCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)[C@H](CO)c1ccccc1 ZINC001455190541 1066369083 /nfs/dbraw/zinc/36/90/83/1066369083.db2.gz GCWIAXOVBXRLCB-HXUWFJFHSA-N 0 0 457.368 4.927 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCc3sccc3C)CC2)s1 ZINC001361118173 1066369542 /nfs/dbraw/zinc/36/95/42/1066369542.db2.gz UMAATCHZFCPOQF-UHFFFAOYSA-N 0 0 471.696 4.957 20 0 JJADRN CN(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC001361118886 1066369966 /nfs/dbraw/zinc/36/99/66/1066369966.db2.gz JIFONMDURQKTEK-UHFFFAOYSA-N 0 0 458.493 4.900 20 0 JJADRN Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]3N(C(=O)OCc4ccccc4)CC3(C)C)s2)c1 ZINC001443809136 1066370126 /nfs/dbraw/zinc/37/01/26/1066370126.db2.gz DRIUDBIOIOJWBW-LJQANCHMSA-N 0 0 450.564 4.808 20 0 JJADRN CC[C@H](C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001361118909 1066370224 /nfs/dbraw/zinc/37/02/24/1066370224.db2.gz JXVBSBDUVISDRO-LSDHHAIUSA-N 0 0 452.729 4.501 20 0 JJADRN O=C(CSc1ccccc1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)N1CCCC1 ZINC001361119150 1066370440 /nfs/dbraw/zinc/37/04/40/1066370440.db2.gz RDEPGQPGJQOSSA-INIZCTEOSA-N 0 0 451.375 4.571 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC001443812425 1066370541 /nfs/dbraw/zinc/37/05/41/1066370541.db2.gz FPEXLDBBHIOVMZ-HKBQPEDESA-N 0 0 451.535 4.632 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2Cc3ccoc3CC(C)(C)C2)cc1F ZINC001361119838 1066370960 /nfs/dbraw/zinc/37/09/60/1066370960.db2.gz BYTJZTPOXVYGAN-UHFFFAOYSA-N 0 0 481.616 4.926 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCCCCCC2)cc1 ZINC001361119889 1066370974 /nfs/dbraw/zinc/37/09/74/1066370974.db2.gz LRSPYXKFXHZBQV-UHFFFAOYSA-N 0 0 485.430 4.545 20 0 JJADRN C/C(=C\C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2)c1ccccc1OC(F)F ZINC001455213070 1066371483 /nfs/dbraw/zinc/37/14/83/1066371483.db2.gz SYCYRSFAJUROSX-XRNCKMJISA-N 0 0 456.533 4.583 20 0 JJADRN CN(CC(=O)NCc1cccs1)C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001443815493 1066371428 /nfs/dbraw/zinc/37/14/28/1066371428.db2.gz HBUVSSSFCWLWNM-UHFFFAOYSA-N 0 0 459.365 4.691 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C)C(C)(C)C2)cc1F ZINC001361122593 1066372605 /nfs/dbraw/zinc/37/26/05/1066372605.db2.gz LDYHQQGRLBYLLD-XKCSPQBFSA-N 0 0 499.675 4.947 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545962542 1066372678 /nfs/dbraw/zinc/37/26/78/1066372678.db2.gz FKCFHLZZFIUYFU-FGZHOGPDSA-N 0 0 495.624 4.598 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCCC2 ZINC001455224730 1066373139 /nfs/dbraw/zinc/37/31/39/1066373139.db2.gz JUMVKRPKWKXIGD-CBXIQKPASA-N 0 0 458.599 4.791 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCCCC3)n2C[C@H]2COCCO2)c1 ZINC001361123560 1066374048 /nfs/dbraw/zinc/37/40/48/1066374048.db2.gz FEXDOTUVQQUWDS-QFIPXVFZSA-N 0 0 456.631 4.721 20 0 JJADRN COc1ccccc1/C=C(\C(=O)N[C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC001455231545 1066374240 /nfs/dbraw/zinc/37/42/40/1066374240.db2.gz WIJSLBYJUZVGOW-PHCAOYFPSA-N 0 0 452.348 4.848 20 0 JJADRN O=Cc1ccc(OCCC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 ZINC001443837920 1066374337 /nfs/dbraw/zinc/37/43/37/1066374337.db2.gz CVTDNLTVAIBRDO-UHFFFAOYSA-N 0 0 458.301 4.861 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCOCC3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001361123679 1066374391 /nfs/dbraw/zinc/37/43/91/1066374391.db2.gz JKHCVNRAVSLFGZ-UHFFFAOYSA-N 0 0 492.668 4.661 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)cc2)[nH]c1C ZINC001455249321 1066374529 /nfs/dbraw/zinc/37/45/29/1066374529.db2.gz VDFHOLMNCSIRFK-UHFFFAOYSA-N 0 0 450.340 4.953 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001361123602 1066374618 /nfs/dbraw/zinc/37/46/18/1066374618.db2.gz HHNPJBKNCFLPNY-MSOLQXFVSA-N 0 0 454.537 4.839 20 0 JJADRN COc1ccc2[nH]cc(CCNC(=O)c3cc(Br)sc3Br)c2c1 ZINC001443843457 1066374689 /nfs/dbraw/zinc/37/46/89/1066374689.db2.gz GHRUGWXKFZDDNZ-UHFFFAOYSA-N 0 0 458.175 4.736 20 0 JJADRN CC(C)(C(=O)NC[C@H](CO)Cc1ccoc1)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001455238663 1066374763 /nfs/dbraw/zinc/37/47/63/1066374763.db2.gz GCGGURFTYOLRGW-CQSZACIVSA-N 0 0 453.391 4.955 20 0 JJADRN CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC001443844208 1066374778 /nfs/dbraw/zinc/37/47/78/1066374778.db2.gz VGRCNGWKQOHZGL-FQEVSTJZSA-N 0 0 450.501 4.761 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)[nH]c1C ZINC001455248245 1066374883 /nfs/dbraw/zinc/37/48/83/1066374883.db2.gz OUCHZDYXGSFFPX-IBGZPJMESA-N 0 0 454.477 4.538 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC001443843552 1066374899 /nfs/dbraw/zinc/37/48/99/1066374899.db2.gz DDHDTMSRDDKHFB-UHFFFAOYSA-N 0 0 457.527 4.617 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361123706 1066375023 /nfs/dbraw/zinc/37/50/23/1066375023.db2.gz KJCWFXIRUDAJQH-MUUNZHRXSA-N 0 0 494.684 4.990 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(C)nc2)c1 ZINC001361123729 1066375075 /nfs/dbraw/zinc/37/50/75/1066375075.db2.gz LFZPRVBXQKERGN-UHFFFAOYSA-N 0 0 493.652 4.876 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(O)ccc2Cl)c1 ZINC001455252398 1066375095 /nfs/dbraw/zinc/37/50/95/1066375095.db2.gz KJIUPTANJBIEML-UHFFFAOYSA-N 0 0 456.951 4.715 20 0 JJADRN C[C@H](C(=O)NC1(c2cc(Cl)cc(Br)c2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001455252910 1066375266 /nfs/dbraw/zinc/37/52/66/1066375266.db2.gz BXDPRGXJPULRPN-LBPRGKRZSA-N 0 0 457.796 4.711 20 0 JJADRN CNc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)c1 ZINC001455249554 1066375298 /nfs/dbraw/zinc/37/52/98/1066375298.db2.gz UGPZPYOLOJOIFP-OAQYLSRUSA-N 0 0 459.974 4.825 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)c2ccc(OCC(N)=O)cc2)ccc1Cl ZINC001455252350 1066375314 /nfs/dbraw/zinc/37/53/14/1066375314.db2.gz IJVCYOLXBKKFDK-UHFFFAOYSA-N 0 0 459.329 4.888 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnc(C)s1)NC(=O)OC(C)(C)C ZINC001545962728 1066375275 /nfs/dbraw/zinc/37/52/75/1066375275.db2.gz ISMYAUNGMLSEJP-MRXNPFEDSA-N 0 0 460.604 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)CC1 ZINC001455252929 1066375441 /nfs/dbraw/zinc/37/54/41/1066375441.db2.gz CHDKPMVXGGKVJS-UHFFFAOYSA-N 0 0 457.796 4.855 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)Cc2cscn2)s1 ZINC001361123810 1066375621 /nfs/dbraw/zinc/37/56/21/1066375621.db2.gz NEHGHFNCHWSPIY-UHFFFAOYSA-N 0 0 469.640 4.590 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 ZINC001455255659 1066375738 /nfs/dbraw/zinc/37/57/38/1066375738.db2.gz BDNCCSIJQYSEDY-UHFFFAOYSA-N 0 0 452.885 4.894 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1)C(C)C ZINC001443847799 1066375979 /nfs/dbraw/zinc/37/59/79/1066375979.db2.gz KWWGGFNDTUIFCF-BRTIRZTQSA-N 0 0 457.615 4.950 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001361123943 1066376211 /nfs/dbraw/zinc/37/62/11/1066376211.db2.gz RIZDGQQBQZUEFT-MSOLQXFVSA-N 0 0 466.598 4.655 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[C@]1(C)Cc1cc(F)c(F)c(F)c1 ZINC001455258199 1066376518 /nfs/dbraw/zinc/37/65/18/1066376518.db2.gz YZEGZDKECXFJNO-YCRPNKLZSA-N 0 0 450.448 4.576 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546070689 1066377039 /nfs/dbraw/zinc/37/70/39/1066377039.db2.gz NPVJVCFSSMWJSW-UMEGOILYSA-N 0 0 461.651 4.793 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001443851365 1066377063 /nfs/dbraw/zinc/37/70/63/1066377063.db2.gz KVSVLDLSCCRCLZ-QHCPKHFHSA-N 0 0 456.583 4.652 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001361124184 1066377639 /nfs/dbraw/zinc/37/76/39/1066377639.db2.gz ZEBMQMCIIGFTAY-IBGZPJMESA-N 0 0 455.628 4.522 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)N1CCOCC1 ZINC001361124192 1066377724 /nfs/dbraw/zinc/37/77/24/1066377724.db2.gz ZNXXWEXPZNEWJG-NRFANRHFSA-N 0 0 481.641 4.547 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001443864693 1066377884 /nfs/dbraw/zinc/37/78/84/1066377884.db2.gz IMIWDFQXVCRYEW-MRXNPFEDSA-N 0 0 453.336 4.676 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(COC)CC1)OC ZINC001545962932 1066377985 /nfs/dbraw/zinc/37/79/85/1066377985.db2.gz MUSNRYKFPGADMU-SFHVURJKSA-N 0 0 465.436 4.694 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1n[nH]c(=O)c2ccccc21 ZINC001443866138 1066378001 /nfs/dbraw/zinc/37/80/01/1066378001.db2.gz LPCDDISPKKTDAW-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)ccc1S(N)(=O)=O ZINC001455270694 1066377943 /nfs/dbraw/zinc/37/79/43/1066377943.db2.gz DONVBXGDHWYCNK-MRXNPFEDSA-N 0 0 458.967 4.921 20 0 JJADRN CC[C@@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(C(F)(F)F)cs1 ZINC001361124489 1066378132 /nfs/dbraw/zinc/37/81/32/1066378132.db2.gz GHTNAPLELDSCFU-GFCCVEGCSA-N 0 0 455.483 4.824 20 0 JJADRN C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001443864684 1066378180 /nfs/dbraw/zinc/37/81/80/1066378180.db2.gz IMIWDFQXVCRYEW-INIZCTEOSA-N 0 0 453.336 4.676 20 0 JJADRN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)c1 ZINC001455274694 1066378405 /nfs/dbraw/zinc/37/84/05/1066378405.db2.gz NGABURFMXKPTGC-MRXNPFEDSA-N 0 0 458.967 4.874 20 0 JJADRN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2Oc2cccc(Cl)c2)c1 ZINC001455274690 1066378542 /nfs/dbraw/zinc/37/85/42/1066378542.db2.gz NGABURFMXKPTGC-INIZCTEOSA-N 0 0 458.967 4.874 20 0 JJADRN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1ccc2c(c1)nc[nH]c2=O ZINC001443868605 1066378544 /nfs/dbraw/zinc/37/85/44/1066378544.db2.gz QFFZYGVSSVSYNL-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(F)F)C1)OC ZINC001545962944 1066378753 /nfs/dbraw/zinc/37/87/53/1066378753.db2.gz MXFQFFISJRAGGA-JKSUJKDBSA-N 0 0 457.363 4.923 20 0 JJADRN COc1ccc2cc(NC(=O)c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)o3)ccc2n1 ZINC001361125182 1066378786 /nfs/dbraw/zinc/37/87/86/1066378786.db2.gz RGVGBRROPSDKCH-UHFFFAOYSA-N 0 0 452.511 4.598 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(SC)cc1 ZINC001361125190 1066378800 /nfs/dbraw/zinc/37/88/00/1066378800.db2.gz RLJKVKUACPNRJS-KRWDZBQOSA-N 0 0 456.789 4.788 20 0 JJADRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001455275283 1066379066 /nfs/dbraw/zinc/37/90/66/1066379066.db2.gz RAUIOVXSDBLEMX-AWEZNQCLSA-N 0 0 450.004 4.585 20 0 JJADRN Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 ZINC001443872632 1066379283 /nfs/dbraw/zinc/37/92/83/1066379283.db2.gz MXHGWSHRTMPNFG-CQSZACIVSA-N 0 0 458.278 4.768 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC(=O)NC2CCCCC2)c1 ZINC001361125693 1066379336 /nfs/dbraw/zinc/37/93/36/1066379336.db2.gz ANNLXMVQKXFDDI-FGZHOGPDSA-N 0 0 497.684 4.742 20 0 JJADRN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(Br)cc1F ZINC001443876022 1066379804 /nfs/dbraw/zinc/37/98/04/1066379804.db2.gz KNYFFHBHPFQHMX-KDOFPFPSSA-N 0 0 459.400 4.967 20 0 JJADRN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c2ccccc21 ZINC001455279780 1066379972 /nfs/dbraw/zinc/37/99/72/1066379972.db2.gz VMECIKLXSOTLSB-UXHICEINSA-N 0 0 470.319 4.753 20 0 JJADRN CN(Cc1cscc1Br)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001455283208 1066380024 /nfs/dbraw/zinc/38/00/24/1066380024.db2.gz XHVWHTQLKUCFRR-UHFFFAOYSA-N 0 0 451.773 4.646 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879080 1066380247 /nfs/dbraw/zinc/38/02/47/1066380247.db2.gz HZPZSTMFKJYJBB-JOCHJYFZSA-N 0 0 453.945 4.848 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001455286224 1066380363 /nfs/dbraw/zinc/38/03/63/1066380363.db2.gz UCZMQPSIQCZKIN-UHFFFAOYSA-N 0 0 459.974 4.745 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CCc3ccc4ccccc4n3)CC2)nc1C ZINC001455284036 1066380601 /nfs/dbraw/zinc/38/06/01/1066380601.db2.gz DZBBUBAFQGCYMI-UHFFFAOYSA-N 0 0 451.592 4.590 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCc2cc3cc(Br)ccc3o2)CCN1C(=O)OC(C)(C)C ZINC001455290489 1066381232 /nfs/dbraw/zinc/38/12/32/1066381232.db2.gz ZLKRJZCVWOYWRQ-ZIAGYGMSSA-N 0 0 451.361 4.847 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=CCC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361125978 1066381150 /nfs/dbraw/zinc/38/11/50/1066381150.db2.gz IFHZUHHCASBKTH-UHFFFAOYSA-N 0 0 451.537 4.549 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001361126022 1066381718 /nfs/dbraw/zinc/38/17/18/1066381718.db2.gz JGXBWWZBIKJWLC-IAGOWNOFSA-N 0 0 472.684 4.827 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2sc3nc(C)nc(N)c3c2C)cc1 ZINC001443892819 1066382199 /nfs/dbraw/zinc/38/21/99/1066382199.db2.gz PUCVHRGIZIIRSZ-RTBURBONSA-N 0 0 454.596 4.799 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1nc2c(cccc2OC)[nH]1)NC(=O)OC(C)(C)C ZINC001455307221 1066382217 /nfs/dbraw/zinc/38/22/17/1066382217.db2.gz LWNHSRDDVBRMBW-QGZVFWFLSA-N 0 0 454.527 4.565 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(OCc2ccccc2)ccn1 ZINC001443895765 1066382674 /nfs/dbraw/zinc/38/26/74/1066382674.db2.gz RISKUJCICXNKON-OAQYLSRUSA-N 0 0 453.945 4.848 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443902875 1066383560 /nfs/dbraw/zinc/38/35/60/1066383560.db2.gz DRPRBCKGYSYYPV-MOPGFXCFSA-N 0 0 455.640 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCCn1c2ccccc2c2ccccc21 ZINC001546071575 1066383758 /nfs/dbraw/zinc/38/37/58/1066383758.db2.gz HPJXARSEVOKIBY-GOSISDBHSA-N 0 0 453.608 4.653 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)c2nc3ccccc3cc2Br)C1 ZINC001455339702 1066383982 /nfs/dbraw/zinc/38/39/82/1066383982.db2.gz ILWICMNDYUHALB-OAHLLOKOSA-N 0 0 457.299 4.519 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=CCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361126464 1066384050 /nfs/dbraw/zinc/38/40/50/1066384050.db2.gz RZFVGBYABWQYAD-FQEVSTJZSA-N 0 0 477.575 4.939 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCSCC(C)C)c1 ZINC001361126343 1066384192 /nfs/dbraw/zinc/38/41/92/1066384192.db2.gz QIMJJMGEKFQXAE-PKTZIBPZSA-N 0 0 499.725 4.926 20 0 JJADRN COCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1cccnc1 ZINC001455356058 1066384282 /nfs/dbraw/zinc/38/42/82/1066384282.db2.gz PGKOPABNXAUDHF-OAQYLSRUSA-N 0 0 453.336 4.583 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@]2(C)COCCO2)c1 ZINC001361126472 1066384712 /nfs/dbraw/zinc/38/47/12/1066384712.db2.gz SDJSMQYJBKUYSO-JIPXPUAJSA-N 0 0 470.658 4.967 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc21 ZINC001443913344 1066384725 /nfs/dbraw/zinc/38/47/25/1066384725.db2.gz VTQZDZNABXFAQA-AWEZNQCLSA-N 0 0 452.393 4.908 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)cc1 ZINC001443913084 1066384922 /nfs/dbraw/zinc/38/49/22/1066384922.db2.gz PHDGXFWSNWYEIP-NAVOZUGXSA-N 0 0 456.627 4.723 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CNC(C)=O)CC1)OC ZINC001545963198 1066385294 /nfs/dbraw/zinc/38/52/94/1066385294.db2.gz RIVTUNMGQWRCHM-OAQYLSRUSA-N 0 0 485.629 4.590 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)NCCC(=O)Nc3ccccc3)c(-c3ccc(C)cc3)n2)cc1 ZINC001443916382 1066385406 /nfs/dbraw/zinc/38/54/06/1066385406.db2.gz IIXZSCJSEFHEPI-UHFFFAOYSA-N 0 0 452.558 4.974 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC001455392058 1066385285 /nfs/dbraw/zinc/38/52/85/1066385285.db2.gz CBDCPOQKGCMCFS-NVXWUHKLSA-N 0 0 465.566 4.682 20 0 JJADRN CC1(C)OC[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)[C@@H](c2ccccc2)O1 ZINC001455380145 1066385426 /nfs/dbraw/zinc/38/54/26/1066385426.db2.gz VPJHQVHJBZQSHT-UYAOXDASSA-N 0 0 457.324 4.727 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCc2ccn(C)n2)c1 ZINC001361126652 1066385787 /nfs/dbraw/zinc/38/57/87/1066385787.db2.gz XCTUFJNBJUAQTJ-LEWJYISDSA-N 0 0 450.631 4.890 20 0 JJADRN CCc1coc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)n1 ZINC001455394886 1066386001 /nfs/dbraw/zinc/38/60/01/1066386001.db2.gz VWEMVNSJNYSCDX-UHFFFAOYSA-N 0 0 454.335 4.905 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)CC[C@H]3C)n2CCc2ccn(C)n2)c1 ZINC001361126653 1066385959 /nfs/dbraw/zinc/38/59/59/1066385959.db2.gz XCTUFJNBJUAQTJ-NHCUHLMSSA-N 0 0 450.631 4.890 20 0 JJADRN COC(=O)CC[C@H]1CCCN(C(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 ZINC001455398309 1066386430 /nfs/dbraw/zinc/38/64/30/1066386430.db2.gz FIFZRBFNZIOOEN-NHCUHLMSSA-N 0 0 452.636 4.822 20 0 JJADRN COC(=O)CC[C@@H]1CCCN(C(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)C1 ZINC001455401652 1066386553 /nfs/dbraw/zinc/38/65/53/1066386553.db2.gz SWHVOUZLLIFPSG-AWEZNQCLSA-N 0 0 459.593 4.915 20 0 JJADRN COC(=O)CC[C@@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001455398946 1066386585 /nfs/dbraw/zinc/38/65/85/1066386585.db2.gz HQSAQBHLKLTJKA-ZDUSSCGKSA-N 0 0 450.295 4.592 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCCC(F)(F)F)c1 ZINC001361126761 1066386498 /nfs/dbraw/zinc/38/64/98/1066386498.db2.gz ZZVGXBWUCARAAE-VQTJNVASSA-N 0 0 493.574 4.879 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2ccn(C)n2)c1 ZINC001361127130 1066386921 /nfs/dbraw/zinc/38/69/21/1066386921.db2.gz FRUYRLISTMXLAE-QFIPXVFZSA-N 0 0 480.657 4.855 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 ZINC001443937875 1066386930 /nfs/dbraw/zinc/38/69/30/1066386930.db2.gz HFGBNJBJXJEGLQ-UHFFFAOYSA-N 0 0 453.587 4.647 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1)NC(=O)OC(C)(C)C ZINC001545963294 1066386981 /nfs/dbraw/zinc/38/69/81/1066386981.db2.gz UAGFGGYINHNWJN-HXUWFJFHSA-N 0 0 483.613 4.973 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(c2cnn(C)c2)CC1)OC ZINC001545963297 1066386995 /nfs/dbraw/zinc/38/69/95/1066386995.db2.gz UDSIHKQJIXDYDM-FQEVSTJZSA-N 0 0 487.446 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC001455410026 1066387294 /nfs/dbraw/zinc/38/72/94/1066387294.db2.gz GTJQGQIQZLSSQE-FQEVSTJZSA-N 0 0 452.599 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC001455411427 1066387633 /nfs/dbraw/zinc/38/76/33/1066387633.db2.gz ZAULTFFXVOQGIW-MRXNPFEDSA-N 0 0 456.493 4.592 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CC(C)(C)C(C)C)c1 ZINC001361127350 1066388067 /nfs/dbraw/zinc/38/80/67/1066388067.db2.gz IDOLMZAFLAWPPQ-UHFFFAOYSA-N 0 0 492.668 4.628 20 0 JJADRN CC(C)=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC001443962204 1066388319 /nfs/dbraw/zinc/38/83/19/1066388319.db2.gz KQLCDYDSJHGVIO-NRFANRHFSA-N 0 0 452.620 4.805 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCCC3)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001361127386 1066388400 /nfs/dbraw/zinc/38/84/00/1066388400.db2.gz INCQYDGCKAWHQL-QFQXNSOFSA-N 0 0 456.631 4.599 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(C)COCCO2)c1 ZINC001361127516 1066388635 /nfs/dbraw/zinc/38/86/35/1066388635.db2.gz KLXTXMWQUQQRBV-XMMPIXPASA-N 0 0 495.451 4.994 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C2CC2)c1 ZINC001361127390 1066388683 /nfs/dbraw/zinc/38/86/83/1066388683.db2.gz INWHYSCSGDANFL-FQEVSTJZSA-N 0 0 453.631 4.612 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCCCC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361127537 1066388939 /nfs/dbraw/zinc/38/89/39/1066388939.db2.gz LFMQEGYWACVTRP-UHFFFAOYSA-N 0 0 463.626 4.725 20 0 JJADRN O=C(NCCC[C@@H]1C=CCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001455422780 1066389064 /nfs/dbraw/zinc/38/90/64/1066389064.db2.gz ZIAYLLUCBUAZCI-MRXNPFEDSA-N 0 0 452.498 4.982 20 0 JJADRN CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 ZINC001443972902 1066389119 /nfs/dbraw/zinc/38/91/19/1066389119.db2.gz OUWJVKRBNPCPMJ-RNODOKPDSA-N 0 0 456.402 4.625 20 0 JJADRN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001443968088 1066389305 /nfs/dbraw/zinc/38/93/05/1066389305.db2.gz KQLXOLQSPCWYJD-HJPURHCSSA-N 0 0 456.384 4.829 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001361127736 1066389448 /nfs/dbraw/zinc/38/94/48/1066389448.db2.gz OJOTYWJJDSXZBS-JOCHJYFZSA-N 0 0 469.674 4.636 20 0 JJADRN 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ZINC001443993082 1066392020 /nfs/dbraw/zinc/39/20/20/1066392020.db2.gz IKCAZJDNJGGNTI-ZFWWWQNUSA-N 0 0 453.402 4.996 20 0 JJADRN COc1ccc(C2(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1OC ZINC001443997486 1066392295 /nfs/dbraw/zinc/39/22/95/1066392295.db2.gz NKDXUCFUEKDBPB-HXUWFJFHSA-N 0 0 454.567 4.508 20 0 JJADRN C[S@](=O)C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC001443999257 1066393037 /nfs/dbraw/zinc/39/30/37/1066393037.db2.gz QWTHGGZNZJSQEH-WRHNGFHOSA-N 0 0 453.416 4.895 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001455460181 1066393352 /nfs/dbraw/zinc/39/33/52/1066393352.db2.gz BALARZSUCIEYOJ-UHFFFAOYSA-N 0 0 454.958 4.639 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)cc1 ZINC001361129402 1066393422 /nfs/dbraw/zinc/39/34/22/1066393422.db2.gz WXJLGSFIXFWCAM-UHFFFAOYSA-N 0 0 450.970 4.992 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCC(C)C)c1 ZINC001361129840 1066394091 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JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCSC2)c1 ZINC001361130060 1066394594 /nfs/dbraw/zinc/39/45/94/1066394594.db2.gz HUPGYNYVIHQHFT-REWPJTCUSA-N 0 0 458.672 4.903 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)c1coc(Sc2ncccn2)n1 ZINC001444022435 1066394959 /nfs/dbraw/zinc/39/49/59/1066394959.db2.gz PBOXUBCDVYDKDE-UHFFFAOYSA-N 0 0 452.923 4.778 20 0 JJADRN CN(C)C(=O)Nc1cccc(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001444019860 1066395081 /nfs/dbraw/zinc/39/50/81/1066395081.db2.gz FFBZSDQFXWVIMS-UHFFFAOYSA-N 0 0 458.534 4.776 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3Cc4ccccc4[C@H](C)C3)ccc2C)cc1 ZINC001455472287 1066395097 /nfs/dbraw/zinc/39/50/97/1066395097.db2.gz QPWLAEDPAYNGMP-GOSISDBHSA-N 0 0 450.560 4.564 20 0 JJADRN CC(C)OC1(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC001455473202 1066395250 /nfs/dbraw/zinc/39/52/50/1066395250.db2.gz UXYDFTADPVPHLM-UHFFFAOYSA-N 0 0 450.579 4.768 20 0 JJADRN COc1ccc([C@H](C)CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001444023659 1066395548 /nfs/dbraw/zinc/39/55/48/1066395548.db2.gz RIMJSTAUYGILMY-QGZVFWFLSA-N 0 0 456.539 4.559 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccccc1Nc1ccccc1 ZINC001455474658 1066395795 /nfs/dbraw/zinc/39/57/95/1066395795.db2.gz SALLABGWFHHPRL-OAQYLSRUSA-N 0 0 458.436 4.843 20 0 JJADRN O=C(N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001361130760 1066396133 /nfs/dbraw/zinc/39/61/33/1066396133.db2.gz WKIZUMGBESCIJN-JOCHJYFZSA-N 0 0 453.945 4.946 20 0 JJADRN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Cl)cc1 ZINC001444025861 1066396221 /nfs/dbraw/zinc/39/62/21/1066396221.db2.gz LOMBWTWXQGQSJM-RTOPAQNCSA-N 0 0 458.967 4.539 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001546073110 1066396639 /nfs/dbraw/zinc/39/66/39/1066396639.db2.gz OYVSXXNLTOWSHI-AFWDCEBSSA-N 0 0 475.678 4.570 20 0 JJADRN O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001444033489 1066396848 /nfs/dbraw/zinc/39/68/48/1066396848.db2.gz LPYRJWCVYZDIQT-IBGZPJMESA-N 0 0 453.365 4.870 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1)c1ccccc1Cl ZINC001455487683 1066397073 /nfs/dbraw/zinc/39/70/73/1066397073.db2.gz WKNHGLLIMILLIH-CQSZACIVSA-N 0 0 456.804 4.630 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@@H]2CCOC2)c1 ZINC001361131018 1066397278 /nfs/dbraw/zinc/39/72/78/1066397278.db2.gz VRRAXMJGSMDDMD-ZJSXRUAMSA-N 0 0 456.631 4.577 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@H]2CCOC2)c1 ZINC001361131017 1066397303 /nfs/dbraw/zinc/39/73/03/1066397303.db2.gz VRRAXMJGSMDDMD-XUZZJYLKSA-N 0 0 456.631 4.577 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361130970 1066397354 /nfs/dbraw/zinc/39/73/54/1066397354.db2.gz UIMHGKLLJCHGFP-HSZRJFAPSA-N 0 0 497.615 4.502 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001444051844 1066397255 /nfs/dbraw/zinc/39/72/55/1066397255.db2.gz BLKVWFHNAYBDHI-JUXOCIIHSA-N 0 0 465.585 4.644 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1NC(=O)C1CCCCC1 ZINC001444056040 1066397750 /nfs/dbraw/zinc/39/77/50/1066397750.db2.gz HYAIMIXLCUPJEQ-HNNXBMFYSA-N 0 0 457.958 4.624 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2C[C@H]2C)c1 ZINC001361131074 1066398007 /nfs/dbraw/zinc/39/80/07/1066398007.db2.gz XQTCMULMZFLRSX-RTBURBONSA-N 0 0 497.581 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCc2nccs2)c1 ZINC001361131136 1066398442 /nfs/dbraw/zinc/39/84/42/1066398442.db2.gz ZPZQZILBTLJYDU-IBGZPJMESA-N 0 0 495.571 4.756 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC[C@@H]1C ZINC001361131459 1066398741 /nfs/dbraw/zinc/39/87/41/1066398741.db2.gz ITYGSAISUAUWDS-OALUTQOASA-N 0 0 467.614 4.923 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001455504195 1066399082 /nfs/dbraw/zinc/39/90/82/1066399082.db2.gz OWSXJOGXWIFORA-RTBURBONSA-N 0 0 455.640 4.613 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC001444071605 1066399481 /nfs/dbraw/zinc/39/94/81/1066399481.db2.gz UKSIZTSIENFZTC-HKBQPEDESA-N 0 0 457.621 4.659 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001444077353 1066400286 /nfs/dbraw/zinc/40/02/86/1066400286.db2.gz XYPIUHAHQSDGKG-ONTIZHBOSA-N 0 0 459.999 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN(Cc1ccccc1)c1ccccn1)C(C)(C)C ZINC001455508013 1066400335 /nfs/dbraw/zinc/40/03/35/1066400335.db2.gz HXVSIELGMYEDJD-OAQYLSRUSA-N 0 0 454.615 4.534 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001361131881 1066400642 /nfs/dbraw/zinc/40/06/42/1066400642.db2.gz BEZVZWUMUTXNJF-RUZDIDTESA-N 0 0 453.539 4.554 20 0 JJADRN COc1ccccc1NCC(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001455509750 1066400818 /nfs/dbraw/zinc/40/08/18/1066400818.db2.gz LBJKWRVDXPGIJP-UGKGYDQZSA-N 0 0 459.631 4.819 20 0 JJADRN COc1ccccc1NCC(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001455509716 1066400914 /nfs/dbraw/zinc/40/09/14/1066400914.db2.gz LBJKWRVDXPGIJP-KNQAVFIVSA-N 0 0 459.631 4.819 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001444081316 1066401714 /nfs/dbraw/zinc/40/17/14/1066401714.db2.gz NHORRWOVRPUAHX-AOJNWGRGSA-N 0 0 477.596 4.740 20 0 JJADRN Cc1cccc(C2(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)CCCC2)c1 ZINC001455514980 1066402236 /nfs/dbraw/zinc/40/22/36/1066402236.db2.gz INOJMOGADJRCMT-PKOBYXMFSA-N 0 0 454.533 4.968 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC001361132490 1066403093 /nfs/dbraw/zinc/40/30/93/1066403093.db2.gz ZJTXZHHRGBQIPK-HKUYNNGSSA-N 0 0 488.057 4.821 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2CC[C@@H]2CCO[C@H](C)C2)c1 ZINC001361132474 1066403164 /nfs/dbraw/zinc/40/31/64/1066403164.db2.gz ZCCHMYTVMJTDBO-WOJBJXKFSA-N 0 0 452.603 4.971 20 0 JJADRN COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCC(F)F)cc(OC)c1OC ZINC001361132665 1066403195 /nfs/dbraw/zinc/40/31/95/1066403195.db2.gz AIVYWKUCSQOGMM-GDNBJRDFSA-N 0 0 454.473 4.742 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCc2cccc3ccccc32)C[C@@H]1C(F)(F)F ZINC001455518912 1066403271 /nfs/dbraw/zinc/40/32/71/1066403271.db2.gz SLQBEABTYMZQNT-QUCCMNQESA-N 0 0 450.501 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCCCc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001455519817 1066403422 /nfs/dbraw/zinc/40/34/22/1066403422.db2.gz VTQNHBXZQZJWCD-FDDCHVKYSA-N 0 0 465.432 4.877 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)c2cccc(C)c2Cl)c2ccccc2)c(C)c1 ZINC001444087078 1066403437 /nfs/dbraw/zinc/40/34/37/1066403437.db2.gz QSNMXRBAQZNFKZ-NRFANRHFSA-N 0 0 456.995 4.715 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)Cc2cc(Br)ccc2Cl)C1 ZINC001444087887 1066403781 /nfs/dbraw/zinc/40/37/81/1066403781.db2.gz FEVJRAVTBFQSMT-LBPRGKRZSA-N 0 0 457.825 4.512 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC2CCCCC2)cc1 ZINC001444089101 1066403845 /nfs/dbraw/zinc/40/38/45/1066403845.db2.gz XQKWPLSNHAUFPM-UHFFFAOYSA-N 0 0 457.379 4.622 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455521587 1066403883 /nfs/dbraw/zinc/40/38/83/1066403883.db2.gz RMLIIANLCIDWLV-GAJHUEQPSA-N 0 0 479.499 4.998 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455521495 1066403948 /nfs/dbraw/zinc/40/39/48/1066403948.db2.gz ZTIRDUWNWKUBIT-BXKMTCNYSA-N 0 0 459.587 4.510 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccsc1NC(=O)c1ccccc1Cl)CC2 ZINC001455528214 1066403972 /nfs/dbraw/zinc/40/39/72/1066403972.db2.gz FCRGBYZVEGWEPI-UHFFFAOYSA-N 0 0 453.951 4.811 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001455524029 1066404020 /nfs/dbraw/zinc/40/40/20/1066404020.db2.gz YXJZLYFLBUAJAT-NEKDWFFYSA-N 0 0 480.653 4.505 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134051 1066404740 /nfs/dbraw/zinc/40/47/40/1066404740.db2.gz GENGWQAIMGPRGA-OFNKIYASSA-N 0 0 476.625 4.898 20 0 JJADRN COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001455531715 1066405092 /nfs/dbraw/zinc/40/50/92/1066405092.db2.gz MUQNZEOKOXLWEJ-VFNWGFHPSA-N 0 0 458.605 4.613 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001361134455 1066406231 /nfs/dbraw/zinc/40/62/31/1066406231.db2.gz JVOQZIZVDSCRGJ-NFBKMPQASA-N 0 0 465.667 4.784 20 0 JJADRN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC001455535527 1066406774 /nfs/dbraw/zinc/40/67/74/1066406774.db2.gz ZZXIEOXASKYUFW-IEBWSBKVSA-N 0 0 468.591 4.528 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC001361134751 1066406815 /nfs/dbraw/zinc/40/68/15/1066406815.db2.gz GNNRRLUHTXDVPF-YSIASYRMSA-N 0 0 452.521 4.789 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N(C)C[C@H](C)c2ccccc2)N2CCOCC2)o1 ZINC001361134776 1066407692 /nfs/dbraw/zinc/40/76/92/1066407692.db2.gz HDXNNPZCAWAWRJ-NZQKXSOJSA-N 0 0 451.615 4.616 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001361134925 1066407805 /nfs/dbraw/zinc/40/78/05/1066407805.db2.gz OFFQVTYKZUMYJE-FQEVSTJZSA-N 0 0 462.598 4.509 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(Cc2ccccc2)ccc1O ZINC001444119759 1066408865 /nfs/dbraw/zinc/40/88/65/1066408865.db2.gz PDCZMRPVKYPQIA-IBGZPJMESA-N 0 0 456.464 4.890 20 0 JJADRN O=C(NCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Br)cc1 ZINC001444123601 1066409287 /nfs/dbraw/zinc/40/92/87/1066409287.db2.gz PVGDCQCAYIPFSG-SFHVURJKSA-N 0 0 452.299 4.603 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOC[C@H]2C)cc1 ZINC001361135560 1066409314 /nfs/dbraw/zinc/40/93/14/1066409314.db2.gz RZCYRVDFOFSSFU-NHCUHLMSSA-N 0 0 483.657 4.730 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCSC2)C1)NC(=O)OC(C)(C)C ZINC001545964512 1066409545 /nfs/dbraw/zinc/40/95/45/1066409545.db2.gz FZGBTNALRGEXSR-GAJHUEQPSA-N 0 0 493.077 4.630 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC001361136383 1066410371 /nfs/dbraw/zinc/41/03/71/1066410371.db2.gz PQWJULNKXOWYNU-UHFFFAOYSA-N 0 0 455.558 4.899 20 0 JJADRN Cc1cccc(C(=O)NCCc2cccc(Br)c2C)c1NC(=O)c1ccncc1 ZINC001455558725 1066410466 /nfs/dbraw/zinc/41/04/66/1066410466.db2.gz FAEBPEZTZHVPRO-UHFFFAOYSA-N 0 0 452.352 4.686 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3C[C@@H](C)S[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361136700 1066410750 /nfs/dbraw/zinc/41/07/50/1066410750.db2.gz TWDFCDKGKZODAP-NAZDKBRTSA-N 0 0 458.672 4.761 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3C[C@@H](C)S[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001361136695 1066410765 /nfs/dbraw/zinc/41/07/65/1066410765.db2.gz TWDFCDKGKZODAP-HSGJQSDISA-N 0 0 458.672 4.761 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(N3C[C@H](C)S[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001361136697 1066410916 /nfs/dbraw/zinc/41/09/16/1066410916.db2.gz TWDFCDKGKZODAP-IZZGNVEXSA-N 0 0 458.672 4.761 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2cccc(C=O)c2)c1 ZINC001444134514 1066411924 /nfs/dbraw/zinc/41/19/24/1066411924.db2.gz BUHCSAMSRFYYJB-UHFFFAOYSA-N 0 0 454.567 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3CCOc4ccc(Br)cc43)CCC[C@H]12 ZINC001455566646 1066411938 /nfs/dbraw/zinc/41/19/38/1066411938.db2.gz CUWYGXOAFBDWPR-SGXKBVARSA-N 0 0 465.388 4.569 20 0 JJADRN Cc1c(NC(=O)Cc2cc(C3CC3)no2)cc(I)cc1C(F)(F)F ZINC001455567103 1066411949 /nfs/dbraw/zinc/41/19/49/1066411949.db2.gz FSAORAUQANBFRN-UHFFFAOYSA-N 0 0 450.198 4.665 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361136775 1066411853 /nfs/dbraw/zinc/41/18/53/1066411853.db2.gz ZJGPXYYZTSUIRE-RZUBCFFCSA-N 0 0 491.640 4.587 20 0 JJADRN CC(C)(C(=O)N1CC[C@](CO)(C(F)(F)F)C1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001455576936 1066412289 /nfs/dbraw/zinc/41/22/89/1066412289.db2.gz QYMCVCOZSPSADT-SFHVURJKSA-N 0 0 450.885 4.654 20 0 JJADRN O=C(NCc1noc2ccccc12)c1ccccc1NC(=O)c1ccccc1Br ZINC001455585678 1066413113 /nfs/dbraw/zinc/41/31/13/1066413113.db2.gz APCOXNLZPFXIKY-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)OC ZINC001545964801 1066413221 /nfs/dbraw/zinc/41/32/21/1066413221.db2.gz KKFFNLKECUXUNM-FPOVZHCZSA-N 0 0 483.016 4.582 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCSC[C@@H]1c1ccccc1 ZINC001444138588 1066413272 /nfs/dbraw/zinc/41/32/72/1066413272.db2.gz PMAQUNOVIXMYIT-BCHFMIIMSA-N 0 0 452.439 4.654 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC001361138380 1066413709 /nfs/dbraw/zinc/41/37/09/1066413709.db2.gz PGKJHSAYHUBVGK-UHFFFAOYSA-N 0 0 458.356 4.890 20 0 JJADRN O=C(CCC(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)o1 ZINC001546074121 1066414092 /nfs/dbraw/zinc/41/40/92/1066414092.db2.gz HWILEKXMGYMDQI-HXUWFJFHSA-N 0 0 459.333 4.878 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC001545964881 1066414668 /nfs/dbraw/zinc/41/46/68/1066414668.db2.gz LTAPDZZLEOODNN-WOJBJXKFSA-N 0 0 481.044 4.880 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC001455601852 1066414937 /nfs/dbraw/zinc/41/49/37/1066414937.db2.gz BXWNYSWSYUUINY-GOSISDBHSA-N 0 0 458.183 4.682 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Cc1sc(SC(F)(F)F)nc1C ZINC001444143032 1066415552 /nfs/dbraw/zinc/41/55/52/1066415552.db2.gz VNFBWILBXHSQGO-UHFFFAOYSA-N 0 0 455.568 4.806 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](n2cc(C)cn2)C1)OC ZINC001545964904 1066415625 /nfs/dbraw/zinc/41/56/25/1066415625.db2.gz MCKIHDPTMJSILB-ROUUACIJSA-N 0 0 491.409 4.618 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001455619455 1066415825 /nfs/dbraw/zinc/41/58/25/1066415825.db2.gz RZLMKWLYACGHAK-GOSISDBHSA-N 0 0 455.530 4.593 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccc(F)cc1 ZINC001546074226 1066415867 /nfs/dbraw/zinc/41/58/67/1066415867.db2.gz LHHRNMFAKXMYOX-HSZRJFAPSA-N 0 0 454.523 4.710 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1)OC ZINC001545964978 1066416256 /nfs/dbraw/zinc/41/62/56/1066416256.db2.gz NJMDVHCLCVXTFJ-AWEZNQCLSA-N 0 0 453.381 4.970 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)OC ZINC001545965036 1066417250 /nfs/dbraw/zinc/41/72/50/1066417250.db2.gz OMBWELMFWUAIRM-JOCHJYFZSA-N 0 0 474.049 4.643 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cs1 ZINC001455632325 1066417343 /nfs/dbraw/zinc/41/73/43/1066417343.db2.gz UFOPOUAGAIHASZ-UHFFFAOYSA-N 0 0 456.568 4.603 20 0 JJADRN Cc1cc(-c2ncccc2NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)cs1 ZINC001455631466 1066417362 /nfs/dbraw/zinc/41/73/62/1066417362.db2.gz MHXOHCDWLZGJQU-UHFFFAOYSA-N 0 0 455.483 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc3cc(NC(=O)[C@H]4CCOC(C)(C)C4)ccc3[nH]2)CC1 ZINC001455629109 1066417399 /nfs/dbraw/zinc/41/73/99/1066417399.db2.gz VAMJXAQTLZOUNQ-KRWDZBQOSA-N 0 0 456.587 4.821 20 0 JJADRN Cc1ccc([C@H](Cn2c(N(C)Cc3cc(Cl)ccn3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361140569 1066417886 /nfs/dbraw/zinc/41/78/86/1066417886.db2.gz DAEVHBARIWNLRP-QHCPKHFHSA-N 0 0 483.060 4.642 20 0 JJADRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001444146952 1066418140 /nfs/dbraw/zinc/41/81/40/1066418140.db2.gz OIXVXLKOPDZHDS-AWEZNQCLSA-N 0 0 452.382 4.971 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC001455647763 1066419069 /nfs/dbraw/zinc/41/90/69/1066419069.db2.gz JFAWYQKJVCZZLA-HZPDHXFCSA-N 0 0 467.632 4.742 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3cc4ccccc4cc3O)c2)cc1 ZINC001444153880 1066419475 /nfs/dbraw/zinc/41/94/75/1066419475.db2.gz UWDGJQRWNHQMNI-UHFFFAOYSA-N 0 0 456.498 4.615 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCCOc1cccc(Br)c1 ZINC001444155004 1066419492 /nfs/dbraw/zinc/41/94/92/1066419492.db2.gz LTPUYQKOTTZMBI-CQSZACIVSA-N 0 0 458.805 4.798 20 0 JJADRN Cc1ccc([C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCC(F)F)N2CCOCC2)o1 ZINC001361141062 1066420205 /nfs/dbraw/zinc/42/02/05/1066420205.db2.gz KFMGBUBGDSWXKJ-HXUWFJFHSA-N 0 0 493.986 4.589 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3cc(C(F)(F)F)ccn3)C[C@@H]21 ZINC001546074735 1066420406 /nfs/dbraw/zinc/42/04/06/1066420406.db2.gz YWTZYQCEZJJILU-HYVNUMGLSA-N 0 0 455.521 4.530 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC001361141587 1066420820 /nfs/dbraw/zinc/42/08/20/1066420820.db2.gz QKKQUDYONPSZHA-GJZGRUSLSA-N 0 0 458.356 4.954 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001455659420 1066421015 /nfs/dbraw/zinc/42/10/15/1066421015.db2.gz BCKMOKVNMSLGJE-UHFFFAOYSA-N 0 0 451.466 4.532 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001455660088 1066421074 /nfs/dbraw/zinc/42/10/74/1066421074.db2.gz CVHVKIOMIUHUKK-DOJUMQAQSA-N 0 0 456.384 4.980 20 0 JJADRN O=C(c1ccc(Oc2ccccc2F)nc1)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001455665524 1066421892 /nfs/dbraw/zinc/42/18/92/1066421892.db2.gz MIOGKDJPFYTXHJ-HNNXBMFYSA-N 0 0 457.303 4.585 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)ccc1Cl ZINC001455668152 1066421956 /nfs/dbraw/zinc/42/19/56/1066421956.db2.gz SFDVPAUVCIPOQP-OAHLLOKOSA-N 0 0 452.780 4.766 20 0 JJADRN O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001444160582 1066421820 /nfs/dbraw/zinc/42/18/20/1066421820.db2.gz ABHWDBQNJOGIGM-UHFFFAOYSA-N 0 0 456.329 4.999 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCc2ccccc2)CC1)OC ZINC001545965379 1066421943 /nfs/dbraw/zinc/42/19/43/1066421943.db2.gz WSWAZHCFSPQBNI-HXUWFJFHSA-N 0 0 455.990 4.604 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc(CSCc2ccccc2)c1 ZINC001444161602 1066421983 /nfs/dbraw/zinc/42/19/83/1066421983.db2.gz YPABRDOSYVYONF-FUDKSRODSA-N 0 0 455.649 4.784 20 0 JJADRN Cc1cccc(-c2noc(CC3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)c(C)c4)CC3)n2)n1 ZINC001455672182 1066422337 /nfs/dbraw/zinc/42/23/37/1066422337.db2.gz CMBMBABGOYGRFJ-QGZVFWFLSA-N 0 0 454.958 4.650 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)n2)c1 ZINC001361141772 1066422543 /nfs/dbraw/zinc/42/25/43/1066422543.db2.gz STZBRZBWAXXMNF-ZDUSSCGKSA-N 0 0 455.877 4.523 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001361142035 1066422561 /nfs/dbraw/zinc/42/25/61/1066422561.db2.gz TZGFPDKDVZPWNY-UHFFFAOYSA-N 0 0 484.689 4.776 20 0 JJADRN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccnc2SCc2ccc(Br)cc2)C1 ZINC001455671390 1066422646 /nfs/dbraw/zinc/42/26/46/1066422646.db2.gz HYLXXAVGENZIFZ-AWEZNQCLSA-N 0 0 457.397 4.694 20 0 JJADRN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001455681855 1066423289 /nfs/dbraw/zinc/42/32/89/1066423289.db2.gz ZKMOQJOUHNYWPB-DEOSSOPVSA-N 0 0 452.938 4.619 20 0 JJADRN CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001455678608 1066423337 /nfs/dbraw/zinc/42/33/37/1066423337.db2.gz QVUASQREWONBDC-INIZCTEOSA-N 0 0 456.896 4.965 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N(C)C[C@H](C)c3ccccc3)nnc2C(C)(C)C)N2CCOCC2)o1 ZINC001361142350 1066423383 /nfs/dbraw/zinc/42/33/83/1066423383.db2.gz YDFPJRIKFIUHRR-NZQKXSOJSA-N 0 0 465.642 4.790 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C(C)C)n3Cc3ccnc(OCC(F)(F)F)c3)CC2)c1 ZINC001361142233 1066423396 /nfs/dbraw/zinc/42/33/96/1066423396.db2.gz WGSFOBYTBDPGMH-UHFFFAOYSA-N 0 0 488.558 4.729 20 0 JJADRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)cc1 ZINC001455677530 1066423609 /nfs/dbraw/zinc/42/36/09/1066423609.db2.gz PHQQMQHRTKWMME-KRWDZBQOSA-N 0 0 450.505 4.674 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545965441 1066424260 /nfs/dbraw/zinc/42/42/60/1066424260.db2.gz XULYHINNWJPEAY-NXHRZFHOSA-N 0 0 463.026 4.922 20 0 JJADRN Cc1cccc(COc2cccc(C(=O)N(C)Cc3nnc4n3CCC[C@@H]4C(F)(F)F)c2)c1 ZINC001455682334 1066424273 /nfs/dbraw/zinc/42/42/73/1066424273.db2.gz SURVTXUMWNHEKW-FQEVSTJZSA-N 0 0 458.484 4.877 20 0 JJADRN O=C(NCC1(C2(O)CCC2)CCC1)c1cc2cc(Br)cc(Br)c2o1 ZINC001455707608 1066424775 /nfs/dbraw/zinc/42/47/75/1066424775.db2.gz RITFSYAPGVTNKN-UHFFFAOYSA-N 0 0 457.162 4.773 20 0 JJADRN O=C(CC1(C(F)(F)F)CC1)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444170854 1066424855 /nfs/dbraw/zinc/42/48/55/1066424855.db2.gz ITQYWXXKONLQGS-AWEZNQCLSA-N 0 0 458.278 4.819 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)c1 ZINC001361143924 1066425426 /nfs/dbraw/zinc/42/54/26/1066425426.db2.gz ASGYSSIOJAEYPA-UHFFFAOYSA-N 0 0 468.911 4.527 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2C[C@H]2C)c1 ZINC001361144237 1066426237 /nfs/dbraw/zinc/42/62/37/1066426237.db2.gz FHJSRVAPTIAJOC-NHCUHLMSSA-N 0 0 483.657 4.966 20 0 JJADRN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC001444176645 1066426303 /nfs/dbraw/zinc/42/63/03/1066426303.db2.gz ZYZAGHLTYUHLQQ-MRXNPFEDSA-N 0 0 453.995 4.808 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC001546075297 1066426758 /nfs/dbraw/zinc/42/67/58/1066426758.db2.gz LNFFTHBQVJJXIK-HRFSGMKKSA-N 0 0 463.626 4.786 20 0 JJADRN COC(=O)CCc1ccc(O)c(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1 ZINC001455722388 1066427285 /nfs/dbraw/zinc/42/72/85/1066427285.db2.gz FNUBKKSHRBJFPG-UHFFFAOYSA-N 0 0 456.495 4.511 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C4CC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)c1 ZINC001361145295 1066427488 /nfs/dbraw/zinc/42/74/88/1066427488.db2.gz UNDJMHKKCVWNPO-JOCHJYFZSA-N 0 0 482.673 4.648 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001361145162 1066427523 /nfs/dbraw/zinc/42/75/23/1066427523.db2.gz QBCPGHUGCSTUMR-UHFFFAOYSA-N 0 0 474.531 4.989 20 0 JJADRN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C(=O)N2 ZINC001444203257 1066428129 /nfs/dbraw/zinc/42/81/29/1066428129.db2.gz USPKYHBAOPDQSY-OAHLLOKOSA-N 0 0 455.274 4.886 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001444201741 1066428210 /nfs/dbraw/zinc/42/82/10/1066428210.db2.gz BFMMPYLRZDJEEC-KRWDZBQOSA-N 0 0 455.568 4.662 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001444203706 1066428402 /nfs/dbraw/zinc/42/84/02/1066428402.db2.gz BWINOWUAQXHCHE-HXUWFJFHSA-N 0 0 455.345 4.976 20 0 JJADRN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001455767023 1066429146 /nfs/dbraw/zinc/42/91/46/1066429146.db2.gz KGZPGJJSTMPTOA-QGZVFWFLSA-N 0 0 452.521 4.518 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(Br)c2)C1 ZINC001546075937 1066429927 /nfs/dbraw/zinc/42/99/27/1066429927.db2.gz YJINZWFYPAKHBN-DEOSSOPVSA-N 0 0 484.442 4.904 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCO[C@@H]2CCCC[C@@H]2C)cnn1C ZINC001361145877 1066430098 /nfs/dbraw/zinc/43/00/98/1066430098.db2.gz LTFXGAKQBDPOJQ-GBXCKJPGSA-N 0 0 480.657 4.748 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2c(C)nn(C)c2C)sc1C ZINC001361145921 1066430166 /nfs/dbraw/zinc/43/01/66/1066430166.db2.gz MZMDKLHMFAROQV-UHFFFAOYSA-N 0 0 493.681 4.777 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccc4c(c3)N[C@@H](C)CC(=O)N4)s2)cc1 ZINC001444215460 1066430812 /nfs/dbraw/zinc/43/08/12/1066430812.db2.gz LUIPOCSXIQWPDE-KBPBESRZSA-N 0 0 450.564 4.761 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](CC3CC3)NC(=O)OC(C)(C)C)s2)cc1 ZINC001444215312 1066431014 /nfs/dbraw/zinc/43/10/14/1066431014.db2.gz LCIHGMAQFAPMNV-KUHUBIRLSA-N 0 0 459.612 4.998 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@H]2CCCO2)c1 ZINC001361145940 1066431075 /nfs/dbraw/zinc/43/10/75/1066431075.db2.gz NEXVNTLFJSSHLP-QGZVFWFLSA-N 0 0 475.387 4.645 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C(C)C)N2CCOCC2)s1 ZINC001361146070 1066431654 /nfs/dbraw/zinc/43/16/54/1066431654.db2.gz QRQKJQQBFJRCFB-DEOSSOPVSA-N 0 0 497.709 4.837 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C)n1CCN(C)CC(F)(F)F ZINC001361146148 1066431760 /nfs/dbraw/zinc/43/17/60/1066431760.db2.gz UFNNFOOZTUZPKG-UHFFFAOYSA-N 0 0 465.520 4.506 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001455793116 1066432141 /nfs/dbraw/zinc/43/21/41/1066432141.db2.gz NPKJTOYFJOCSNE-IBGZPJMESA-N 0 0 451.007 4.933 20 0 JJADRN CO[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC001455795701 1066432312 /nfs/dbraw/zinc/43/23/12/1066432312.db2.gz VSTPHFRFUWLKCH-HXUWFJFHSA-N 0 0 450.938 4.720 20 0 JJADRN COc1cc(/C=C(\C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)ccc1O ZINC001444243558 1066432996 /nfs/dbraw/zinc/43/29/96/1066432996.db2.gz VLBDJJYIKLNVSL-MKYLKIGJSA-N 0 0 454.567 4.561 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccc(Br)c1 ZINC001546076253 1066432859 /nfs/dbraw/zinc/43/28/59/1066432859.db2.gz JMVFHSXWFPXPMR-GOSISDBHSA-N 0 0 456.340 4.572 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)CC1(C)C ZINC001455798070 1066433019 /nfs/dbraw/zinc/43/30/19/1066433019.db2.gz KATLAYHJAPCDFW-NRFANRHFSA-N 0 0 454.615 4.846 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC001546076280 1066433025 /nfs/dbraw/zinc/43/30/25/1066433025.db2.gz KDTNSHVNFNRRAZ-XZOQPEGZSA-N 0 0 450.579 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361148241 1066433574 /nfs/dbraw/zinc/43/35/74/1066433574.db2.gz FILQCOORBFCRAK-NRFANRHFSA-N 0 0 479.591 4.985 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1(C)C ZINC001455799035 1066433600 /nfs/dbraw/zinc/43/36/00/1066433600.db2.gz DCQZQMGNLCIAJZ-FQEVSTJZSA-N 0 0 452.599 4.652 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC001444247106 1066433799 /nfs/dbraw/zinc/43/37/99/1066433799.db2.gz HRISEFOMNDROLE-IEBWSBKVSA-N 0 0 456.587 4.670 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@]2(C)CCCO2)c1 ZINC001361148247 1066434252 /nfs/dbraw/zinc/43/42/52/1066434252.db2.gz FNCAMQUPOCHIAV-AREMUKBSSA-N 0 0 464.614 4.593 20 0 JJADRN Cc1ccc([C@@H](NC(=O)Cc2ccc(O)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444249056 1066434303 /nfs/dbraw/zinc/43/43/03/1066434303.db2.gz QEFLZUVZHOPNKI-DEOSSOPVSA-N 0 0 457.979 4.514 20 0 JJADRN Cc1ccc([C@H](NC(=O)Cc2ccc(O)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444249058 1066434346 /nfs/dbraw/zinc/43/43/46/1066434346.db2.gz QEFLZUVZHOPNKI-XMMPIXPASA-N 0 0 457.979 4.514 20 0 JJADRN CC(C)OC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 ZINC001444247280 1066434395 /nfs/dbraw/zinc/43/43/95/1066434395.db2.gz JSUYVLCBBOARLZ-UHFFFAOYSA-N 0 0 451.350 4.981 20 0 JJADRN COc1cc(C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc2c1O[C@H](C)C2 ZINC001455807693 1066434449 /nfs/dbraw/zinc/43/44/49/1066434449.db2.gz OFBBUYBWOQVNBG-QZTJIDSGSA-N 0 0 451.563 4.960 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC001444251550 1066435115 /nfs/dbraw/zinc/43/51/15/1066435115.db2.gz AWIWUMOWXJFRHH-XMMPIXPASA-N 0 0 453.542 4.788 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C(=O)c1cccc(F)c1 ZINC001444253958 1066435887 /nfs/dbraw/zinc/43/58/87/1066435887.db2.gz OWKHULMCSSNQDQ-OAHLLOKOSA-N 0 0 458.331 4.875 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCCc2cccc(C)n2)c1 ZINC001361148658 1066435923 /nfs/dbraw/zinc/43/59/23/1066435923.db2.gz RIZHVHNZSNINNH-QHCPKHFHSA-N 0 0 463.626 4.673 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001455815146 1066436636 /nfs/dbraw/zinc/43/66/36/1066436636.db2.gz YAIHDEVXLHZEPG-QZTJIDSGSA-N 0 0 461.603 4.965 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ncc(Cl)n1C ZINC001361148748 1066436791 /nfs/dbraw/zinc/43/67/91/1066436791.db2.gz VHPMDFVXHNIRSU-QGZVFWFLSA-N 0 0 498.031 4.906 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361148722 1066436840 /nfs/dbraw/zinc/43/68/40/1066436840.db2.gz ULFNOUNCPSCOID-XZOQPEGZSA-N 0 0 456.631 4.829 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCCc2c[nH]nc2C)s1 ZINC001361148845 1066437298 /nfs/dbraw/zinc/43/72/98/1066437298.db2.gz ZBURKEIITNOSEC-UHFFFAOYSA-N 0 0 465.627 4.540 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2CC2(C)CCCC2)c1 ZINC001361148834 1066437324 /nfs/dbraw/zinc/43/73/24/1066437324.db2.gz YVOVHGUHRMEZMI-UHFFFAOYSA-N 0 0 473.572 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ccc(SC(F)(F)F)nc1)C2 ZINC001455816166 1066437610 /nfs/dbraw/zinc/43/76/10/1066437610.db2.gz DVYLVBZUJFNIGH-HXUWFJFHSA-N 0 0 459.534 4.947 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H]2CC23CCOCC3)c1 ZINC001361148965 1066438142 /nfs/dbraw/zinc/43/81/42/1066438142.db2.gz CXMPWKFOTVVBOX-NRFANRHFSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCn3cccn3)n2C[C@H]2CCCCC2(F)F)c1 ZINC001361148959 1066438243 /nfs/dbraw/zinc/43/82/43/1066438243.db2.gz CVBLHTKLHYMXMR-HXUWFJFHSA-N 0 0 458.557 4.632 20 0 JJADRN CC[C@](C)(NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)c1nc(C)cs1 ZINC001444264759 1066438439 /nfs/dbraw/zinc/43/84/39/1066438439.db2.gz NPBYKOKEHKRZCO-OWSCLCTJSA-N 0 0 453.674 4.762 20 0 JJADRN CC(C)c1cnc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001444264603 1066438461 /nfs/dbraw/zinc/43/84/61/1066438461.db2.gz IUARWLWFIGXGAD-HUUCEWRRSA-N 0 0 457.625 4.554 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1c(F)cccc1Br)C2 ZINC001455825224 1066438948 /nfs/dbraw/zinc/43/89/48/1066438948.db2.gz NFNMEKRRZNYHBN-NRFANRHFSA-N 0 0 455.368 4.842 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)CC1CC1 ZINC001444265559 1066438889 /nfs/dbraw/zinc/43/88/89/1066438889.db2.gz NKANXQMZTOXEBT-UHFFFAOYSA-N 0 0 452.477 4.867 20 0 JJADRN CN(C)[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1)c1c(F)cccc1F ZINC001444267189 1066438988 /nfs/dbraw/zinc/43/89/88/1066438988.db2.gz VDGWZJJWXJTUPY-FQEVSTJZSA-N 0 0 456.924 4.985 20 0 JJADRN Cc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC2COC(C)(C)OC2)s1 ZINC001361149329 1066439502 /nfs/dbraw/zinc/43/95/02/1066439502.db2.gz RAMZHVRFXZIQAL-UHFFFAOYSA-N 0 0 470.639 4.727 20 0 JJADRN CCCCCn1nc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c2ccccc2c1=O ZINC001444268192 1066439756 /nfs/dbraw/zinc/43/97/56/1066439756.db2.gz DYAIBLDEDAHUDZ-HXUWFJFHSA-N 0 0 457.578 4.880 20 0 JJADRN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001455831010 1066439704 /nfs/dbraw/zinc/43/97/04/1066439704.db2.gz OZDKYQZJEMUXCU-BXUZGUMPSA-N 0 0 459.431 4.661 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCn3cccn3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361149734 1066439948 /nfs/dbraw/zinc/43/99/48/1066439948.db2.gz ZEOSTBXLGKGQOK-UHFFFAOYSA-N 0 0 479.654 4.609 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc2ccccc21 ZINC001455839665 1066440291 /nfs/dbraw/zinc/44/02/91/1066440291.db2.gz NKEBDYJHFDMHSF-QHCPKHFHSA-N 0 0 454.567 4.597 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)N2CCCCC2)C1 ZINC001546076776 1066440321 /nfs/dbraw/zinc/44/03/21/1066440321.db2.gz ADQDFRULUTZYTJ-SANMLTNESA-N 0 0 453.631 4.503 20 0 JJADRN Cn1nc(Br)cc1C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001361149922 1066440731 /nfs/dbraw/zinc/44/07/31/1066440731.db2.gz MNMMGKNLAQTCOB-UHFFFAOYSA-N 0 0 455.194 4.577 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)co1 ZINC001444271709 1066441227 /nfs/dbraw/zinc/44/12/27/1066441227.db2.gz ZFCJCQJDZAOANT-UHFFFAOYSA-N 0 0 450.417 4.761 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1C ZINC001455851940 1066441327 /nfs/dbraw/zinc/44/13/27/1066441327.db2.gz XVOQYKBQBIHSFJ-UHFFFAOYSA-N 0 0 456.539 4.932 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCO[C@H]2C(C)C)c1 ZINC001361151244 1066441979 /nfs/dbraw/zinc/44/19/79/1066441979.db2.gz FSOZXPFAJMURQM-WHLIWEHUSA-N 0 0 458.672 4.865 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)n1 ZINC001444275119 1066441925 /nfs/dbraw/zinc/44/19/25/1066441925.db2.gz KZHHOBFAVGEXIO-INIZCTEOSA-N 0 0 454.456 4.580 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC001455854159 1066442085 /nfs/dbraw/zinc/44/20/85/1066442085.db2.gz MVBMURRTIDELIC-HSZRJFAPSA-N 0 0 454.998 4.825 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001361151234 1066442048 /nfs/dbraw/zinc/44/20/48/1066442048.db2.gz FOUCGQYTROHSOO-GOSISDBHSA-N 0 0 450.631 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 ZINC001361151245 1066442086 /nfs/dbraw/zinc/44/20/86/1066442086.db2.gz FSOZXPFAJMURQM-XARGGIHNSA-N 0 0 458.672 4.865 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(C)(C)C ZINC001455853981 1066442129 /nfs/dbraw/zinc/44/21/29/1066442129.db2.gz MHYOWIAMWMPXRO-AWEZNQCLSA-N 0 0 453.402 4.662 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC001455854165 1066442174 /nfs/dbraw/zinc/44/21/74/1066442174.db2.gz MVBMURRTIDELIC-QHCPKHFHSA-N 0 0 454.998 4.825 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N(C)CCc1ccc2c(c1)OCO2 ZINC001455854341 1066442198 /nfs/dbraw/zinc/44/21/98/1066442198.db2.gz VVGPVRDJQAMZQW-UHFFFAOYSA-N 0 0 458.440 4.591 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2nccnc2C)c1 ZINC001361151468 1066442562 /nfs/dbraw/zinc/44/25/62/1066442562.db2.gz BCUMPCSNYLZROJ-UHFFFAOYSA-N 0 0 474.531 4.594 20 0 JJADRN Cc1nc(Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)S[C@H](C)C2)sc1C ZINC001361151363 1066442605 /nfs/dbraw/zinc/44/26/05/1066442605.db2.gz HYWZZZCBOJNVDG-IAGOWNOFSA-N 0 0 457.669 4.926 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@H](NC(N)=O)c2cccs2)c1 ZINC001444276622 1066442716 /nfs/dbraw/zinc/44/27/16/1066442716.db2.gz YFWZRMRPYHSSCQ-YADHBBJMSA-N 0 0 451.592 4.573 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC2(O)CCOCC2)C1 ZINC001546076986 1066442762 /nfs/dbraw/zinc/44/27/62/1066442762.db2.gz DYRZNGAGINRDOS-SANMLTNESA-N 0 0 470.658 4.847 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001444283613 1066443259 /nfs/dbraw/zinc/44/32/59/1066443259.db2.gz KABNNYGCRHDGTC-MRXNPFEDSA-N 0 0 457.452 4.728 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001361151564 1066443269 /nfs/dbraw/zinc/44/32/69/1066443269.db2.gz KATSJECLLMEEQX-OAQYLSRUSA-N 0 0 479.625 4.708 20 0 JJADRN O=C([C@H](Oc1ccc(Br)cc1)c1ccccc1)N1CCC[C@@H](c2ncccn2)C1 ZINC001455867604 1066443433 /nfs/dbraw/zinc/44/34/33/1066443433.db2.gz PNTRSMKNFPUHHX-WIYYLYMNSA-N 0 0 452.352 4.765 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001546077001 1066443449 /nfs/dbraw/zinc/44/34/49/1066443449.db2.gz FEDVUGPGFQYFMA-AMZDPNTKSA-N 0 0 491.076 4.929 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)CC(C)C ZINC001444286782 1066443326 /nfs/dbraw/zinc/44/33/26/1066443326.db2.gz RXVPWKDHAJLZKC-OAHLLOKOSA-N 0 0 452.320 4.946 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001455871711 1066443843 /nfs/dbraw/zinc/44/38/43/1066443843.db2.gz DVBZTKOGTURLLU-NRFANRHFSA-N 0 0 457.571 4.652 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361151631 1066443969 /nfs/dbraw/zinc/44/39/69/1066443969.db2.gz CMMWNAHCQWOIOQ-XMMPIXPASA-N 0 0 497.684 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@H]1C(F)(F)F ZINC001455874057 1066443897 /nfs/dbraw/zinc/44/38/97/1066443897.db2.gz MMKKSMKFUMAYIV-HZPDHXFCSA-N 0 0 465.472 4.747 20 0 JJADRN O=C([C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455870375 1066443923 /nfs/dbraw/zinc/44/39/23/1066443923.db2.gz HOUULHKLMAQNLL-IRWQIABSSA-N 0 0 451.316 4.558 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455871698 1066443947 /nfs/dbraw/zinc/44/39/47/1066443947.db2.gz IDBPXPSQYAGSMP-KBAYOESNSA-N 0 0 458.521 4.800 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001455874314 1066444029 /nfs/dbraw/zinc/44/40/29/1066444029.db2.gz ODGZIJYBDHYEFW-DAXOMENPSA-N 0 0 468.438 4.798 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)c1ccc(F)cc1F ZINC001455869724 1066444078 /nfs/dbraw/zinc/44/40/78/1066444078.db2.gz KPTDOSKSQVDYAB-JOCHJYFZSA-N 0 0 455.457 4.674 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C12CCCCC2 ZINC001444297379 1066444606 /nfs/dbraw/zinc/44/46/06/1066444606.db2.gz XUUBKKHOTNDAHF-RPWUZVMVSA-N 0 0 455.620 4.827 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(-c3ccccc3Cl)n2)C[C@H]1C(F)(F)F ZINC001455877148 1066444706 /nfs/dbraw/zinc/44/47/06/1066444706.db2.gz LENCFGZMECCKLV-TZMCWYRMSA-N 0 0 459.852 4.523 20 0 JJADRN CC[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC)c1cccc2ccccc21 ZINC001455884613 1066445234 /nfs/dbraw/zinc/44/52/34/1066445234.db2.gz CASJAVFFNVALGZ-GOTSBHOMSA-N 0 0 450.604 4.967 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545966661 1066445200 /nfs/dbraw/zinc/44/52/00/1066445200.db2.gz IHBHAYOGRVZJID-SXLOBPIMSA-N 0 0 457.619 4.882 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361152059 1066445346 /nfs/dbraw/zinc/44/53/46/1066445346.db2.gz HQYAWUVBNMHEJJ-MJGOQNOKSA-N 0 0 493.599 4.869 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361152161 1066446041 /nfs/dbraw/zinc/44/60/41/1066446041.db2.gz PZUMDZYFDHPSCL-FQEVSTJZSA-N 0 0 497.640 4.829 20 0 JJADRN Cc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ccc1OC(C)C ZINC001444308884 1066445988 /nfs/dbraw/zinc/44/59/88/1066445988.db2.gz OTUDMUVDHOUGKT-UHFFFAOYSA-N 0 0 456.539 4.903 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001444306143 1066446030 /nfs/dbraw/zinc/44/60/30/1066446030.db2.gz ZWDOAGCUGSSAMF-VCOUNFBDSA-N 0 0 459.999 4.583 20 0 JJADRN COc1ccc(CNC(=O)/C=C/C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC001444305900 1066446114 /nfs/dbraw/zinc/44/61/14/1066446114.db2.gz YSFMNXNMLGSMHR-BUHFOSPRSA-N 0 0 450.922 4.739 20 0 JJADRN Cc1csc(C[C@@H]2CCCN(C(=O)c3cc(Br)nn3-c3ccc(C)cc3)C2)n1 ZINC001455885119 1066446076 /nfs/dbraw/zinc/44/60/76/1066446076.db2.gz DTYCPXHMLVJBNI-INIZCTEOSA-N 0 0 459.413 4.803 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCC(Nc2ccccn2)CC1 ZINC001455887764 1066446134 /nfs/dbraw/zinc/44/61/34/1066446134.db2.gz WLXLCTKEDUFZHY-UHFFFAOYSA-N 0 0 455.356 4.535 20 0 JJADRN Cc1csc(C[C@H]2CCCN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)C2)n1 ZINC001455886867 1066446201 /nfs/dbraw/zinc/44/62/01/1066446201.db2.gz IHJPHZKQTWEDSS-JOCHJYFZSA-N 0 0 450.604 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2CC(=O)NCc2ccco2)c1 ZINC001361152687 1066446414 /nfs/dbraw/zinc/44/64/14/1066446414.db2.gz VXRWFPGVUMLRBA-UHFFFAOYSA-N 0 0 477.609 4.566 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[C@@H]2CCCCO2)c1 ZINC001361152409 1066446509 /nfs/dbraw/zinc/44/65/09/1066446509.db2.gz SUQDRVLRUUSSDS-VXKWHMMOSA-N 0 0 456.631 4.827 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001455888029 1066446686 /nfs/dbraw/zinc/44/66/86/1066446686.db2.gz ZJPDDVATCSVSLE-STQMWFEESA-N 0 0 453.377 4.707 20 0 JJADRN Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC1CCOCC1 ZINC001444317528 1066447345 /nfs/dbraw/zinc/44/73/45/1066447345.db2.gz KLARXZQPNMJVPJ-JOCHJYFZSA-N 0 0 454.567 4.627 20 0 JJADRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001455896542 1066447394 /nfs/dbraw/zinc/44/73/94/1066447394.db2.gz SHHKNBAZNWTPIH-UHFFFAOYSA-N 0 0 450.970 4.554 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(Nc3ccccn3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001455895171 1066447409 /nfs/dbraw/zinc/44/74/09/1066447409.db2.gz PBGFSZDSGGDBQG-UHFFFAOYSA-N 0 0 459.381 4.809 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)cc1 ZINC001455895742 1066447435 /nfs/dbraw/zinc/44/74/35/1066447435.db2.gz NUEJOBUGRLAIDS-QGZVFWFLSA-N 0 0 450.970 4.507 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC001444318468 1066447436 /nfs/dbraw/zinc/44/74/36/1066447436.db2.gz ISNFDKFPFMDORK-ZLNRFVROSA-N 0 0 458.986 4.802 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC001455901332 1066447985 /nfs/dbraw/zinc/44/79/85/1066447985.db2.gz JFZYLIYQEFWBSI-OYHNWAKOSA-N 0 0 461.356 4.567 20 0 JJADRN CC(C)(NC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC001455901804 1066448000 /nfs/dbraw/zinc/44/80/00/1066448000.db2.gz JXAKZCVDEODFMV-UHFFFAOYSA-N 0 0 459.377 4.527 20 0 JJADRN Cc1c(C(=O)Nc2cc(Br)c3ccccc3c2)cnn1CCO[C@@H]1CCCCO1 ZINC001455901215 1066448140 /nfs/dbraw/zinc/44/81/40/1066448140.db2.gz IDXGLECKLHEZQY-OAQYLSRUSA-N 0 0 458.356 4.903 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361153131 1066448643 /nfs/dbraw/zinc/44/86/43/1066448643.db2.gz VNSHHFBBFBGZQS-FPOVZHCZSA-N 0 0 471.646 4.966 20 0 JJADRN CCCCS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC001444323523 1066448768 /nfs/dbraw/zinc/44/87/68/1066448768.db2.gz QRYANXSUHFLMHT-UHFFFAOYSA-N 0 0 450.988 4.569 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N1CCC[C@@H](Cc3nccs3)C1)N2C(=O)OC(C)(C)C ZINC001455904317 1066448760 /nfs/dbraw/zinc/44/87/60/1066448760.db2.gz ICNYYUWVRXIAOF-OXJNMPFZSA-N 0 0 459.587 4.738 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@H]3C)n2CCC(=O)NC2CCCCC2)c1 ZINC001361153373 1066449330 /nfs/dbraw/zinc/44/93/30/1066449330.db2.gz YLJVOAKKWPPNNQ-TZIWHRDSSA-N 0 0 453.631 4.548 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccoc2)c1 ZINC001361153403 1066450074 /nfs/dbraw/zinc/45/00/74/1066450074.db2.gz ZKYSFTHYPVRAJE-IRLDBZIGSA-N 0 0 495.624 4.855 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Oc4ccccc4F)c(F)c3)CC2=O)cc1F ZINC001361154097 1066450289 /nfs/dbraw/zinc/45/02/89/1066450289.db2.gz BHZQWQCIFVGGPJ-KRWDZBQOSA-N 0 0 454.448 4.874 20 0 JJADRN CCCN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001444330316 1066450319 /nfs/dbraw/zinc/45/03/19/1066450319.db2.gz WCZCEXRBZDMGJX-CUMRGQLISA-N 0 0 458.462 4.779 20 0 JJADRN O=C(COCc1cccc(Cl)c1)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001455915799 1066450396 /nfs/dbraw/zinc/45/03/96/1066450396.db2.gz XCULFFVTJOODGP-UHFFFAOYSA-N 0 0 450.760 4.963 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361154525 1066451170 /nfs/dbraw/zinc/45/11/70/1066451170.db2.gz BLWCEKBPWPCJOL-RDGATRHJSA-N 0 0 470.658 4.524 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCO[C@H]2CCOC2)c1 ZINC001361154551 1066451233 /nfs/dbraw/zinc/45/12/33/1066451233.db2.gz CQLDBDJBAWGBQK-SFHVURJKSA-N 0 0 481.424 4.569 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCCc2cnn(C)c2)c1 ZINC001361154737 1066451768 /nfs/dbraw/zinc/45/17/68/1066451768.db2.gz FVFLKIJNIIRMKS-UHFFFAOYSA-N 0 0 480.657 4.624 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H]2CCCSC2)c1 ZINC001361155130 1066452929 /nfs/dbraw/zinc/45/29/29/1066452929.db2.gz MUCFCXJPMIOKQA-VXKWHMMOSA-N 0 0 458.672 4.868 20 0 JJADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC001444350879 1066453009 /nfs/dbraw/zinc/45/30/09/1066453009.db2.gz PGMXDEJGJGIRNM-HUUCEWRRSA-N 0 0 453.402 4.723 20 0 JJADRN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC001444350839 1066453142 /nfs/dbraw/zinc/45/31/42/1066453142.db2.gz PGMXDEJGJGIRNM-CABCVRRESA-N 0 0 453.402 4.723 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC2(F)CCC2)c1 ZINC001361155300 1066453674 /nfs/dbraw/zinc/45/36/74/1066453674.db2.gz AJQDBPGWIDAJSO-QFIPXVFZSA-N 0 0 485.648 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCc2ccc(Cl)s2)c1 ZINC001361155238 1066453799 /nfs/dbraw/zinc/45/37/99/1066453799.db2.gz QFKQFVLZSUXPEQ-UHFFFAOYSA-N 0 0 488.057 4.523 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)CNC(=O)c1ncccc1O ZINC001444356491 1066453809 /nfs/dbraw/zinc/45/38/09/1066453809.db2.gz IWXQUQQHVCMDHB-UHFFFAOYSA-N 0 0 451.592 4.592 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCSCC(C)C)c1 ZINC001361155398 1066454307 /nfs/dbraw/zinc/45/43/07/1066454307.db2.gz BOKCZBVEZUMMGQ-FGZHOGPDSA-N 0 0 458.672 4.868 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001361155344 1066454336 /nfs/dbraw/zinc/45/43/36/1066454336.db2.gz SIYRWDIWLWZCHG-VWLOTQADSA-N 0 0 487.048 4.572 20 0 JJADRN Cc1c(Br)cccc1CC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001455933801 1066454517 /nfs/dbraw/zinc/45/45/17/1066454517.db2.gz JZEHLZCTDKGKPC-UHFFFAOYSA-N 0 0 452.348 4.973 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H]2CCCCO2)c1 ZINC001361155456 1066455117 /nfs/dbraw/zinc/45/51/17/1066455117.db2.gz ULGXDMIFOSYASS-QGZVFWFLSA-N 0 0 451.398 4.942 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@]4(C3)CCCOC4)n2CCCC(F)(F)F)c1 ZINC001361155605 1066455164 /nfs/dbraw/zinc/45/51/64/1066455164.db2.gz DXJGMJLDRBGLDC-QFIPXVFZSA-N 0 0 452.521 4.823 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)c2ccc(OC)cc2)C1 ZINC001546077731 1066455154 /nfs/dbraw/zinc/45/51/54/1066455154.db2.gz UTSQLPDYFTXHRN-NIYFSFCBSA-N 0 0 450.631 4.969 20 0 JJADRN O=C(N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(C(F)(F)F)c[nH]c1=O ZINC001455936188 1066455188 /nfs/dbraw/zinc/45/51/88/1066455188.db2.gz ZITUTTDOHVXKSU-AWEZNQCLSA-N 0 0 457.246 4.745 20 0 JJADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)/C=C/Cl ZINC001455935960 1066455258 /nfs/dbraw/zinc/45/52/58/1066455258.db2.gz YOHUROZEBYYRRZ-ZYWHQPPRSA-N 0 0 456.970 4.576 20 0 JJADRN C[C@@H]1[C@@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CCN1C(=O)OC(C)(C)C ZINC001455936270 1066455302 /nfs/dbraw/zinc/45/53/02/1066455302.db2.gz YRXWBIFFZGTZFZ-APWZRJJASA-N 0 0 455.530 4.591 20 0 JJADRN Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001444360876 1066455351 /nfs/dbraw/zinc/45/53/51/1066455351.db2.gz KFDGFFDKWJLSBV-IBGZPJMESA-N 0 0 454.567 4.947 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001361155772 1066455704 /nfs/dbraw/zinc/45/57/04/1066455704.db2.gz GFVYDEYXAQIXFE-KCWPFWIISA-N 0 0 480.657 4.536 20 0 JJADRN CC[C@H](CNC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)Cc1cccc(Br)c1 ZINC001444367391 1066455964 /nfs/dbraw/zinc/45/59/64/1066455964.db2.gz UOSAOPWKVIZJAF-VJEGYFCCSA-N 0 0 465.432 4.827 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1)Cc1cccc(Br)c1 ZINC001444366110 1066456047 /nfs/dbraw/zinc/45/60/47/1066456047.db2.gz QMUMZUGAENAVPB-HZPDHXFCSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361155866 1066456358 /nfs/dbraw/zinc/45/63/58/1066456358.db2.gz HSFDPNUHTANHBB-IBGZPJMESA-N 0 0 469.630 4.577 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@](C)(O)c2ccsc2)c1 ZINC001361155811 1066456362 /nfs/dbraw/zinc/45/63/62/1066456362.db2.gz GUTLLIISCLIUCH-UUOWRZLLSA-N 0 0 476.593 4.925 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Oc1cccc(NC(=O)c3cnn(C)c3)c1)ccc2Br ZINC001455938298 1066456463 /nfs/dbraw/zinc/45/64/63/1066456463.db2.gz HLTWNEYKUHLQMP-UHFFFAOYSA-N 0 0 454.280 4.709 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001455939419 1066456490 /nfs/dbraw/zinc/45/64/90/1066456490.db2.gz MMRWXROHBCJKOQ-UHFFFAOYSA-N 0 0 455.490 4.790 20 0 JJADRN CNS(=O)(=O)c1csc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001444391839 1066457386 /nfs/dbraw/zinc/45/73/86/1066457386.db2.gz NJIAGHCOGJRBHR-UHFFFAOYSA-N 0 0 456.467 4.720 20 0 JJADRN Cc1sc(CCNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)nc1-c1ccccc1 ZINC001444389846 1066457484 /nfs/dbraw/zinc/45/74/84/1066457484.db2.gz PCJJMBNRLKIECC-OAQYLSRUSA-N 0 0 455.624 4.957 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCCC(C)C)c1 ZINC001361156147 1066457540 /nfs/dbraw/zinc/45/75/40/1066457540.db2.gz OPAFUSGEASYKBY-QFIPXVFZSA-N 0 0 453.631 4.501 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361156216 1066458256 /nfs/dbraw/zinc/45/82/56/1066458256.db2.gz QIGKMXSADOCBDT-NQIIRXRSSA-N 0 0 479.591 4.985 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444403942 1066458937 /nfs/dbraw/zinc/45/89/37/1066458937.db2.gz NJYLWUZJFVCIDI-YOHDVBOVSA-N 0 0 455.640 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(F)(F)F ZINC001455951355 1066458992 /nfs/dbraw/zinc/45/89/92/1066458992.db2.gz IYNDFEATYGQGBB-LEOXJPRUSA-N 0 0 452.517 4.729 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361156441 1066458951 /nfs/dbraw/zinc/45/89/51/1066458951.db2.gz VPMRNKKYHHPTDV-NRFANRHFSA-N 0 0 455.647 4.651 20 0 JJADRN CC(C)(C)OC(=O)NC1CCC(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC001444402670 1066459018 /nfs/dbraw/zinc/45/90/18/1066459018.db2.gz MBTASRFCCXQFGY-JSNHQESWSA-N 0 0 451.405 4.679 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(COc4cc(C)ccc4C)n3CCC(C)(F)F)C2)no1 ZINC001361156468 1066459321 /nfs/dbraw/zinc/45/93/21/1066459321.db2.gz WEVSHDCKKRBRCG-LJQANCHMSA-N 0 0 474.556 4.670 20 0 JJADRN CCOC(=O)C1(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)CCOCC1 ZINC001444405578 1066459477 /nfs/dbraw/zinc/45/94/77/1066459477.db2.gz GSBXJTNOHFTMTF-FQEVSTJZSA-N 0 0 454.567 4.879 20 0 JJADRN Cc1cc(SCC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)cc1Br ZINC001361157365 1066459927 /nfs/dbraw/zinc/45/99/27/1066459927.db2.gz CGPWOJZLQWVCFO-OAHLLOKOSA-N 0 0 457.434 4.626 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001361156626 1066459944 /nfs/dbraw/zinc/45/99/44/1066459944.db2.gz ZTPBGIUHTPAIRJ-GOSISDBHSA-N 0 0 478.519 4.577 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)O[C@H](C)c2nc3ccc(Cl)cc3n2C)cs1 ZINC001361156771 1066460022 /nfs/dbraw/zinc/46/00/22/1066460022.db2.gz FCNSVOIYQDZPSZ-GFCCVEGCSA-N 0 0 458.927 4.684 20 0 JJADRN C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc2cc(Cl)ccc2n1C ZINC001361157363 1066460052 /nfs/dbraw/zinc/46/00/52/1066460052.db2.gz QZFAETAMUMZHNL-GXTWGEPZSA-N 0 0 457.905 4.723 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)C3(Cc4cccs4)CCCCC3)cn2)cc1 ZINC001455955982 1066460113 /nfs/dbraw/zinc/46/01/13/1066460113.db2.gz NQXHQQFXLHDLDQ-UHFFFAOYSA-N 0 0 452.580 4.724 20 0 JJADRN O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC001361157488 1066460499 /nfs/dbraw/zinc/46/04/99/1066460499.db2.gz FIYMSAXAOYSPNC-UHFFFAOYSA-N 0 0 456.468 4.740 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001444417906 1066460728 /nfs/dbraw/zinc/46/07/28/1066460728.db2.gz CFRLGHCGOVOBJB-UHFFFAOYSA-N 0 0 452.461 4.829 20 0 JJADRN CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2nc1C(F)(F)F ZINC001361158264 1066461282 /nfs/dbraw/zinc/46/12/82/1066461282.db2.gz PBEBEHARLHDMCT-OAHLLOKOSA-N 0 0 454.493 4.717 20 0 JJADRN C[C@@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ncc(-c2ccccc2)o1 ZINC001444437224 1066461902 /nfs/dbraw/zinc/46/19/02/1066461902.db2.gz JXRLIZYDYZWLQR-QAPCUYQASA-N 0 0 452.511 4.893 20 0 JJADRN C[C@H](c1cccnc1)N1CCN(C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CC1 ZINC001444442461 1066461928 /nfs/dbraw/zinc/46/19/28/1066461928.db2.gz NVWZMFNVRDUUTL-MRXNPFEDSA-N 0 0 456.562 4.666 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)c1cccc2scnc21 ZINC001455965679 1066462606 /nfs/dbraw/zinc/46/26/06/1066462606.db2.gz IWHSSXWNQOOOAQ-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCOC2CCCCCC2)c1 ZINC001361159131 1066463063 /nfs/dbraw/zinc/46/30/63/1066463063.db2.gz PNWJSAAVBLPVOG-JOCHJYFZSA-N 0 0 456.631 4.829 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)Cc4cccc(Cl)c4F)cc32)c1 ZINC001455968120 1066463235 /nfs/dbraw/zinc/46/32/35/1066463235.db2.gz UWRCOKQZIFGFRW-UHFFFAOYSA-N 0 0 452.913 4.801 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H]3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361159061 1066463271 /nfs/dbraw/zinc/46/32/71/1066463271.db2.gz NKWSZSLECCSOJK-SFTDATJTSA-N 0 0 469.630 4.862 20 0 JJADRN Cc1ccc2cccc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N4CCC(C)CC4)c3)c2n1 ZINC001455971383 1066463914 /nfs/dbraw/zinc/46/39/14/1066463914.db2.gz ZYDZWFKHKORACF-UHFFFAOYSA-N 0 0 451.592 4.833 20 0 JJADRN COc1cc(CNC(=O)c2c(C)nc(C(C)C)nc2SC)ccc1OCc1cccnc1 ZINC001444470251 1066464041 /nfs/dbraw/zinc/46/40/41/1066464041.db2.gz RWMMBHYPPPHHBM-UHFFFAOYSA-N 0 0 452.580 4.543 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1 ZINC001361159515 1066464449 /nfs/dbraw/zinc/46/44/49/1066464449.db2.gz BDDYOGKEQAUSMJ-QGZVFWFLSA-N 0 0 487.517 4.592 20 0 JJADRN CCN(CC)C(=O)[C@H]1CSCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001455977253 1066465100 /nfs/dbraw/zinc/46/51/00/1066465100.db2.gz IXXGBOOKPOOFGY-JOCHJYFZSA-N 0 0 453.583 4.677 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)C2)c1 ZINC001444478912 1066465120 /nfs/dbraw/zinc/46/51/20/1066465120.db2.gz ITOPLYLCXZGBLM-WIYYLYMNSA-N 0 0 454.546 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)ccc21 ZINC001444483804 1066465854 /nfs/dbraw/zinc/46/58/54/1066465854.db2.gz LLFCTBBXGWENFY-IBGZPJMESA-N 0 0 455.530 4.967 20 0 JJADRN Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC001444481987 1066465890 /nfs/dbraw/zinc/46/58/90/1066465890.db2.gz BJBVTPSZYNQVLW-XMMPIXPASA-N 0 0 452.576 4.824 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967485 1066465909 /nfs/dbraw/zinc/46/59/09/1066465909.db2.gz YRCQAZVUGBLRRO-LJQANCHMSA-N 0 0 487.645 4.651 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCCS3)c2)cc1C ZINC001546078159 1066465812 /nfs/dbraw/zinc/46/58/12/1066465812.db2.gz DXAJRIYUYWXOTQ-KRWDZBQOSA-N 0 0 453.029 4.773 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCOC2CCCC2)c1 ZINC001361160087 1066466483 /nfs/dbraw/zinc/46/64/83/1066466483.db2.gz TVQXUOJOXLRJHN-UHFFFAOYSA-N 0 0 495.590 4.508 20 0 JJADRN C[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455982559 1066466556 /nfs/dbraw/zinc/46/65/56/1066466556.db2.gz GAPMRAZWXGLLAA-INIZCTEOSA-N 0 0 453.514 4.585 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2Cc2ccsc2)c1 ZINC001361160282 1066466593 /nfs/dbraw/zinc/46/65/93/1066466593.db2.gz WPNFVQJPEPDUIL-SFHVURJKSA-N 0 0 479.572 4.657 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCCS3)c2)cc1C ZINC001546078160 1066466631 /nfs/dbraw/zinc/46/66/31/1066466631.db2.gz DXAJRIYUYWXOTQ-QGZVFWFLSA-N 0 0 453.029 4.773 20 0 JJADRN Cc1ccc2oc(-c3ccc(NC(=O)[C@@H](C)CS(=O)(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC001455985724 1066467206 /nfs/dbraw/zinc/46/72/06/1066467206.db2.gz ROVGRVNVYYWTAC-INIZCTEOSA-N 0 0 452.507 4.991 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2Cl)cc1 ZINC001444493810 1066467544 /nfs/dbraw/zinc/46/75/44/1066467544.db2.gz YZFCXSVNBIVCML-VWLOTQADSA-N 0 0 450.966 4.700 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)s1 ZINC001444496466 1066467554 /nfs/dbraw/zinc/46/75/54/1066467554.db2.gz ASYIQXAZAYCUJH-UWJYYQICSA-N 0 0 451.592 4.800 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(Br)c1 ZINC001444493883 1066467634 /nfs/dbraw/zinc/46/76/34/1066467634.db2.gz ZDCDLQJZRVFXEJ-ZBFHGGJFSA-N 0 0 451.336 4.894 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001455988767 1066467735 /nfs/dbraw/zinc/46/77/35/1066467735.db2.gz WXQRKLDZUIFAAT-IECBHUPTSA-N 0 0 455.574 4.802 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001455988819 1066467780 /nfs/dbraw/zinc/46/77/80/1066467780.db2.gz IIBYSVUIHVIRGW-GFCCVEGCSA-N 0 0 454.324 4.788 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(C)c3Cl)cc2OC)cc1 ZINC001361161644 1066467856 /nfs/dbraw/zinc/46/78/56/1066467856.db2.gz SWMSPKRUGHZAQZ-UHFFFAOYSA-N 0 0 454.910 4.935 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001361161810 1066467885 /nfs/dbraw/zinc/46/78/85/1066467885.db2.gz YYCOGJRQDBBFOH-UHFFFAOYSA-N 0 0 455.965 4.747 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC4(CCCCC4)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001361161968 1066468399 /nfs/dbraw/zinc/46/83/99/1066468399.db2.gz DMIKUPKGOHSJPD-UMSFTDKQSA-N 0 0 488.698 4.561 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001455989624 1066468532 /nfs/dbraw/zinc/46/85/32/1066468532.db2.gz JTDVRLPSJIQVHG-QBFSEMIESA-N 0 0 451.276 4.885 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3[nH]cc(I)c3c2)s1 ZINC001444500387 1066468736 /nfs/dbraw/zinc/46/87/36/1066468736.db2.gz IHZZBRHAMNOFPO-LLVKDONJSA-N 0 0 453.349 4.933 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001361162048 1066469070 /nfs/dbraw/zinc/46/90/70/1066469070.db2.gz GRESBQRCLJJURE-DEOSSOPVSA-N 0 0 497.606 4.609 20 0 JJADRN CCc1cnc(NC(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)s1 ZINC001444506112 1066469580 /nfs/dbraw/zinc/46/95/80/1066469580.db2.gz SVIHTIYWDUNBKW-LJQANCHMSA-N 0 0 458.381 4.507 20 0 JJADRN CNC(=O)c1cccc(N(C)C(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)c1 ZINC001455997716 1066469700 /nfs/dbraw/zinc/46/97/00/1066469700.db2.gz QHKVWGXPAYUHMH-UHFFFAOYSA-N 0 0 452.561 4.746 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001455999377 1066469725 /nfs/dbraw/zinc/46/97/25/1066469725.db2.gz AMBFHTZMWRQBSF-UZKOGDIHSA-N 0 0 452.599 4.554 20 0 JJADRN CC[C@@H](CNC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC)C(=O)OC(C)(C)C ZINC001455998561 1066469822 /nfs/dbraw/zinc/46/98/22/1066469822.db2.gz NRLZBRKBHISYCS-ZDUSSCGKSA-N 0 0 456.967 4.793 20 0 JJADRN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c2)cc1 ZINC001444509948 1066470250 /nfs/dbraw/zinc/47/02/50/1066470250.db2.gz QXHSLBJWYPKFNQ-IBGZPJMESA-N 0 0 458.502 4.511 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361162924 1066470960 /nfs/dbraw/zinc/47/09/60/1066470960.db2.gz INIPPXOGAJSZHS-QFIPXVFZSA-N 0 0 455.603 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCCCCc4ccccc43)ccn2)CC1 ZINC001444512600 1066471506 /nfs/dbraw/zinc/47/15/06/1066471506.db2.gz UOBPPLNOLUAHIC-UHFFFAOYSA-N 0 0 450.583 4.512 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361163107 1066471605 /nfs/dbraw/zinc/47/16/05/1066471605.db2.gz VBRBTLLJAPDHNG-JTOYRKQZSA-N 0 0 470.658 4.929 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCc2nccs2)c1 ZINC001361163048 1066471618 /nfs/dbraw/zinc/47/16/18/1066471618.db2.gz UQQSBOGKYJKMFE-OAQYLSRUSA-N 0 0 469.655 4.815 20 0 JJADRN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001456009376 1066471836 /nfs/dbraw/zinc/47/18/36/1066471836.db2.gz QWKCEKVJZICIRR-NSHDSACASA-N 0 0 454.802 4.582 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361163112 1066471780 /nfs/dbraw/zinc/47/17/80/1066471780.db2.gz VBRBTLLJAPDHNG-LGVFNWMJSA-N 0 0 470.658 4.929 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)c1cc(-n2cccc2)ccc1Cl)c1ccc2c(c1)OCO2 ZINC001361163103 1066471906 /nfs/dbraw/zinc/47/19/06/1066471906.db2.gz HSQPAXDWOCNYIF-UHFFFAOYSA-N 0 0 454.910 4.848 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361163168 1066472005 /nfs/dbraw/zinc/47/20/05/1066472005.db2.gz KTMFDBWRRBWVHM-ATIYNZHBSA-N 0 0 472.699 4.993 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361163175 1066472060 /nfs/dbraw/zinc/47/20/60/1066472060.db2.gz VMWHSXMMMVXIIE-SHQCIBLASA-N 0 0 470.658 4.666 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H]2CCCOC2)c1 ZINC001361163160 1066472086 /nfs/dbraw/zinc/47/20/86/1066472086.db2.gz KQIPLDXCMPXFLG-GUDVDZBRSA-N 0 0 452.521 4.535 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@](C)(O)CCC(C)C)c1 ZINC001361163331 1066472587 /nfs/dbraw/zinc/47/25/87/1066472587.db2.gz MNXIIPXYMALMAM-RBJSKKJNSA-N 0 0 484.685 4.914 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361163304 1066472603 /nfs/dbraw/zinc/47/26/03/1066472603.db2.gz WWTZVKMTENZJGW-SANMLTNESA-N 0 0 467.589 4.698 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2cc(-c3cccc(Cl)c3Cl)[nH]n2)C1(F)F ZINC001456012660 1066472645 /nfs/dbraw/zinc/47/26/45/1066472645.db2.gz YGDTXDSDCWVHJQ-QMTHXVAHSA-N 0 0 461.296 4.728 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccc(F)cn2)c1 ZINC001361163302 1066472666 /nfs/dbraw/zinc/47/26/66/1066472666.db2.gz WWTZVKMTENZJGW-AREMUKBSSA-N 0 0 467.589 4.698 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COCc1cccc(Cl)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456014336 1066473170 /nfs/dbraw/zinc/47/31/70/1066473170.db2.gz IRGLKRDIWYNYEK-MHECFPHRSA-N 0 0 458.002 4.626 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2ccsc2)c1 ZINC001361163652 1066473316 /nfs/dbraw/zinc/47/33/16/1066473316.db2.gz ZYJJTWVFBARMRW-LJQANCHMSA-N 0 0 466.529 4.546 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361163478 1066473363 /nfs/dbraw/zinc/47/33/63/1066473363.db2.gz YLYOMDBPAJGUQE-ACRUOGEOSA-N 0 0 456.631 4.681 20 0 JJADRN CC(C)N(C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C1CCC1 ZINC001444536553 1066473436 /nfs/dbraw/zinc/47/34/36/1066473436.db2.gz YXFFEIBFBAKDOY-UHFFFAOYSA-N 0 0 451.386 4.653 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCS[C@H](C)[C@@H]2C)c(C)o1 ZINC001361163837 1066474068 /nfs/dbraw/zinc/47/40/68/1066474068.db2.gz RIUYHBHWNTUXCS-UTAZYMRLSA-N 0 0 484.666 4.922 20 0 JJADRN O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)NCc1ccc(=O)[nH]c1 ZINC001444549372 1066474035 /nfs/dbraw/zinc/47/40/35/1066474035.db2.gz JVOVTIMVUSDAPM-UHFFFAOYSA-N 0 0 450.336 4.947 20 0 JJADRN O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC001444544362 1066474161 /nfs/dbraw/zinc/47/41/61/1066474161.db2.gz BKVRTIJUCNJWPH-UHFFFAOYSA-N 0 0 459.443 4.683 20 0 JJADRN COC(=O)CC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC001456015986 1066474682 /nfs/dbraw/zinc/47/46/82/1066474682.db2.gz CKRJGKHUCRLFKY-INIZCTEOSA-N 0 0 455.146 4.636 20 0 JJADRN CCCc1c(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)nnn1-c1cccc(Cl)c1 ZINC001456016513 1066474799 /nfs/dbraw/zinc/47/47/99/1066474799.db2.gz GRFHCFUJUALGOT-UHFFFAOYSA-N 0 0 456.974 4.598 20 0 JJADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)CC2 ZINC001444551826 1066474939 /nfs/dbraw/zinc/47/49/39/1066474939.db2.gz HJTHDMUBGCEKQO-OALUTQOASA-N 0 0 450.366 4.524 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1OC ZINC001456016851 1066474934 /nfs/dbraw/zinc/47/49/34/1066474934.db2.gz IHTACMHBLIBBSF-UHFFFAOYSA-N 0 0 450.373 4.718 20 0 JJADRN O=C(c1cc(I)c(F)cc1F)N1CCCc2cc(Cl)cc(F)c21 ZINC001456018122 1066475702 /nfs/dbraw/zinc/47/57/02/1066475702.db2.gz GYMQQPIRDGKYJW-UHFFFAOYSA-N 0 0 451.613 4.955 20 0 JJADRN C[C@H](O)CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001444558383 1066475803 /nfs/dbraw/zinc/47/58/03/1066475803.db2.gz DOWQRZNZRGVQEJ-CYFREDJKSA-N 0 0 450.966 4.611 20 0 JJADRN CC(C)Oc1ccc(F)cc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001361164307 1066475833 /nfs/dbraw/zinc/47/58/33/1066475833.db2.gz CLJHGYBCRBOGDR-UHFFFAOYSA-N 0 0 459.562 4.578 20 0 JJADRN CO[C@@H](C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1Br ZINC001444561457 1066476331 /nfs/dbraw/zinc/47/63/31/1066476331.db2.gz DNAFKKSQKCRLPY-VQTJNVASSA-N 0 0 452.776 4.762 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC001361165639 1066476445 /nfs/dbraw/zinc/47/64/45/1066476445.db2.gz JNTVJIGDZYZDAB-AUSIDOKSSA-N 0 0 452.603 4.792 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(CC4CC4)n3CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC001361165060 1066476485 /nfs/dbraw/zinc/47/64/85/1066476485.db2.gz CTCKSOUBJSBYQS-UHFFFAOYSA-N 0 0 453.631 4.622 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C(=O)OC(C)(C)C ZINC001456019495 1066476994 /nfs/dbraw/zinc/47/69/94/1066476994.db2.gz SELGSCXNUOGIIB-JQWIXIFHSA-N 0 0 455.483 4.592 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019963 1066477098 /nfs/dbraw/zinc/47/70/98/1066477098.db2.gz VMVGUHVLBLKHIZ-CYFREDJKSA-N 0 0 451.586 4.918 20 0 JJADRN Cc1cccc(NC2CCN(C(=O)c3ncc(Br)cc3Br)CC2)c1 ZINC001444566629 1066477089 /nfs/dbraw/zinc/47/70/89/1066477089.db2.gz VEEXWQSOQCTISU-UHFFFAOYSA-N 0 0 453.178 4.632 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)ccc1OCC(F)(F)F ZINC001444568622 1066477649 /nfs/dbraw/zinc/47/76/49/1066477649.db2.gz OVXYOWMHYCFAAX-HNNXBMFYSA-N 0 0 453.436 4.958 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CC(C)(C)O)CC2)cc1 ZINC001361166258 1066477717 /nfs/dbraw/zinc/47/77/17/1066477717.db2.gz RLMCFLTXODRYTL-QFIPXVFZSA-N 0 0 497.684 4.988 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCOc1cc(C)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456020888 1066477739 /nfs/dbraw/zinc/47/77/39/1066477739.db2.gz WKAXQGUKQMTBAG-FQRUVTKNSA-N 0 0 451.611 4.842 20 0 JJADRN CC[C@@]1(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001444568384 1066477802 /nfs/dbraw/zinc/47/78/02/1066477802.db2.gz PLHVCVWUHCPEKV-YKSBVNFPSA-N 0 0 451.007 4.792 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(N4CC[C@H](NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)co2)cc1 ZINC001361166810 1066478390 /nfs/dbraw/zinc/47/83/90/1066478390.db2.gz ACNADTFSKPMLOB-FQEVSTJZSA-N 0 0 494.640 4.885 20 0 JJADRN COc1ccc(-c2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)n[nH]2)cc1OC ZINC001444578703 1066478703 /nfs/dbraw/zinc/47/87/03/1066478703.db2.gz IKDLNUWEEWHMON-UHFFFAOYSA-N 0 0 451.310 4.593 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1I ZINC001444595539 1066479225 /nfs/dbraw/zinc/47/92/25/1066479225.db2.gz FQRRYSZVUKWIJO-CYBMUJFWSA-N 0 0 457.308 4.535 20 0 JJADRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444586927 1066479562 /nfs/dbraw/zinc/47/95/62/1066479562.db2.gz ZZKVSFXZAYAVTG-UHFFFAOYSA-N 0 0 452.429 4.984 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC001456023454 1066479781 /nfs/dbraw/zinc/47/97/81/1066479781.db2.gz WEGJLAJUMGWQJQ-UHFFFAOYSA-N 0 0 450.322 4.813 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc([C@@H]4CCCCO4)n3CCCSCC(C)C)C2)cc1 ZINC001361167365 1066479851 /nfs/dbraw/zinc/47/98/51/1066479851.db2.gz OJBYZWLXQRVWPZ-DHLKQENFSA-N 0 0 458.672 4.705 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(N4CCC[C@H](NC(=O)C(C)C)C4)nnc3C(C)(C)C)co2)cc1 ZINC001361167304 1066480035 /nfs/dbraw/zinc/48/00/35/1066480035.db2.gz MOVLPAPUOITLLB-NRFANRHFSA-N 0 0 478.641 4.523 20 0 JJADRN CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001456026328 1066480780 /nfs/dbraw/zinc/48/07/80/1066480780.db2.gz AZJNMCYPTVOWFF-UHFFFAOYSA-N 0 0 459.571 4.849 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444608047 1066481686 /nfs/dbraw/zinc/48/16/86/1066481686.db2.gz TWFKXVYELIMEHG-UNMCSNQZSA-N 0 0 454.542 4.556 20 0 JJADRN Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(Br)c1 ZINC001456029449 1066482151 /nfs/dbraw/zinc/48/21/51/1066482151.db2.gz MNLXLQUFKPOURH-QFIPXVFZSA-N 0 0 451.364 4.666 20 0 JJADRN C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC001456029145 1066482187 /nfs/dbraw/zinc/48/21/87/1066482187.db2.gz KPWDLXAKSYJLRO-HTAPYJJXSA-N 0 0 451.364 4.919 20 0 JJADRN CC(C)Sc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001444609931 1066482233 /nfs/dbraw/zinc/48/22/33/1066482233.db2.gz CFPQCBJDWZEQFZ-UHFFFAOYSA-N 0 0 453.029 4.853 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001444609760 1066482257 /nfs/dbraw/zinc/48/22/57/1066482257.db2.gz NZQDVLQJMRCTPR-MAUKXSAKSA-N 0 0 451.633 4.610 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC001444609298 1066482264 /nfs/dbraw/zinc/48/22/64/1066482264.db2.gz PKAVMCAVUJWQPL-HXUWFJFHSA-N 0 0 451.567 4.842 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001361168964 1066482711 /nfs/dbraw/zinc/48/27/11/1066482711.db2.gz QPDNTFALSKJIQO-FOIQADDNSA-N 0 0 451.995 4.845 20 0 JJADRN CCc1cnc(CN(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)s1 ZINC001361169173 1066482817 /nfs/dbraw/zinc/48/28/17/1066482817.db2.gz XVMXWHCKPIUQSR-UHFFFAOYSA-N 0 0 456.612 4.847 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCCC(C)C)cc1Br ZINC001361169424 1066482902 /nfs/dbraw/zinc/48/29/02/1066482902.db2.gz DHJNMRYJACWORS-DLBZAZTESA-N 0 0 485.492 4.710 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@]2(C)CCCS2)o1 ZINC001361169467 1066483618 /nfs/dbraw/zinc/48/36/18/1066483618.db2.gz FMIZZLIKUFOUER-HXOBKFHXSA-N 0 0 474.652 4.733 20 0 JJADRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031826 1066483635 /nfs/dbraw/zinc/48/36/35/1066483635.db2.gz SEQHIIQZVURMQP-OAHLLOKOSA-N 0 0 455.805 4.518 20 0 JJADRN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCC1(c2ccccc2Cl)CCOCC1 ZINC001456031857 1066483699 /nfs/dbraw/zinc/48/36/99/1066483699.db2.gz NYLYWYAZLVXRBI-UHFFFAOYSA-N 0 0 451.876 4.573 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCn2cncn2)cc1Br ZINC001361169479 1066483733 /nfs/dbraw/zinc/48/37/33/1066483733.db2.gz FPZFTNDPIIWTJC-OAHLLOKOSA-N 0 0 472.416 4.567 20 0 JJADRN COc1cccc(C[C@H](O)C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1 ZINC001444617328 1066484108 /nfs/dbraw/zinc/48/41/08/1066484108.db2.gz RBVZQRJIFJERFE-HNNXBMFYSA-N 0 0 453.404 4.911 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@@H](O)CC(C)(C)C)c1=S ZINC001444618813 1066484863 /nfs/dbraw/zinc/48/48/63/1066484863.db2.gz GENAPLSDQUIHNB-SFHVURJKSA-N 0 0 453.052 4.838 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C1CC1)NC(=O)OC(C)(C)C ZINC001545968178 1066484916 /nfs/dbraw/zinc/48/49/16/1066484916.db2.gz AFKJUMUHFPDMHF-AWEZNQCLSA-N 0 0 464.408 4.610 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c(Cl)cc1Cl ZINC001444622182 1066484970 /nfs/dbraw/zinc/48/49/70/1066484970.db2.gz TUOLLTRVKLFJRN-UHFFFAOYSA-N 0 0 459.399 4.561 20 0 JJADRN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC001456034859 1066485120 /nfs/dbraw/zinc/48/51/20/1066485120.db2.gz DYXXLAUMPFSNCR-UHFFFAOYSA-N 0 0 458.331 4.841 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)cc1Br ZINC001456034588 1066485164 /nfs/dbraw/zinc/48/51/64/1066485164.db2.gz ISIHTBZZOMRYII-JOCHJYFZSA-N 0 0 450.336 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCCCC3)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361170410 1066485279 /nfs/dbraw/zinc/48/52/79/1066485279.db2.gz HINQTVCAGRMHOZ-LJQANCHMSA-N 0 0 474.447 4.700 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NC(C)(C)Cc2ccccc2Cl)c1I ZINC001456036220 1066485836 /nfs/dbraw/zinc/48/58/36/1066485836.db2.gz UBXDURPXUSBZBC-UHFFFAOYSA-N 0 0 459.759 4.647 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC001456035995 1066485841 /nfs/dbraw/zinc/48/58/41/1066485841.db2.gz PVYXMXYNJJNJNO-UHFFFAOYSA-N 0 0 450.586 4.502 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1c(F)cc(Br)cc1F ZINC001361170467 1066485829 /nfs/dbraw/zinc/48/58/29/1066485829.db2.gz HTCPHJZJLGMFKE-UHFFFAOYSA-N 0 0 452.280 4.617 20 0 JJADRN COc1ccc(CNC(=O)Cn2c(=O)sc(C)c2-c2ccccc2)cc1OC1CCCC1 ZINC001456037025 1066486375 /nfs/dbraw/zinc/48/63/75/1066486375.db2.gz YEKDQCDGJLCXHU-UHFFFAOYSA-N 0 0 452.576 4.532 20 0 JJADRN CCCc1nc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)nn1-c1ccccc1Cl ZINC001456037016 1066486408 /nfs/dbraw/zinc/48/64/08/1066486408.db2.gz YAYCEWQKBYNTNB-UHFFFAOYSA-N 0 0 454.943 4.653 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@H](C)c1nc3ccccc3n1C)N2C(=O)OC(C)(C)C ZINC001444634434 1066486563 /nfs/dbraw/zinc/48/65/63/1066486563.db2.gz SEDUEFDACGFVSW-QVKFZJNVSA-N 0 0 452.530 4.564 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CCC2=CCCCC2)cc1Br ZINC001361171428 1066487169 /nfs/dbraw/zinc/48/71/69/1066487169.db2.gz PZWJRQASBGZPSM-MRXNPFEDSA-N 0 0 460.420 4.607 20 0 JJADRN CCCCCSc1nc2ccc(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)cc2s1 ZINC001444643023 1066487372 /nfs/dbraw/zinc/48/73/72/1066487372.db2.gz SUUSOIDDNVUQBF-UHFFFAOYSA-N 0 0 453.586 4.617 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)nc1 ZINC001456039311 1066487813 /nfs/dbraw/zinc/48/78/13/1066487813.db2.gz QMXZTSUBNNZGRQ-UHFFFAOYSA-N 0 0 457.939 4.628 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545968337 1066487877 /nfs/dbraw/zinc/48/78/77/1066487877.db2.gz CKXJQFWRBRCAEA-SFHVURJKSA-N 0 0 478.037 4.765 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2CCCCO2)o1 ZINC001361171655 1066488042 /nfs/dbraw/zinc/48/80/42/1066488042.db2.gz QRSGNVQKJBFINO-HXUWFJFHSA-N 0 0 473.618 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3Cc4ccccc4C3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361171931 1066488745 /nfs/dbraw/zinc/48/87/45/1066488745.db2.gz UJDQKGWXPFNAAT-UHFFFAOYSA-N 0 0 465.598 4.707 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361171930 1066488810 /nfs/dbraw/zinc/48/88/10/1066488810.db2.gz UJBTZNUVFDDTFL-ZBFHGGJFSA-N 0 0 463.508 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CCCN2CCCCCC2=O)o1 ZINC001361172016 1066488865 /nfs/dbraw/zinc/48/88/65/1066488865.db2.gz YBBRTVMBJNRCRP-IBGZPJMESA-N 0 0 453.562 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CCCN2CCCCCC2=O)o1 ZINC001361172018 1066488873 /nfs/dbraw/zinc/48/88/73/1066488873.db2.gz YBBRTVMBJNRCRP-LJQANCHMSA-N 0 0 453.562 4.976 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2CCCC(=O)NC2CC2)cc1Br ZINC001361172104 1066489217 /nfs/dbraw/zinc/48/92/17/1066489217.db2.gz ZAKNYBBGVGZIOD-MRXNPFEDSA-N 0 0 486.414 4.865 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361172250 1066489349 /nfs/dbraw/zinc/48/93/49/1066489349.db2.gz YRIKURHSCLFVHF-LPHOPBHVSA-N 0 0 476.463 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)cc1Br ZINC001361172899 1066490034 /nfs/dbraw/zinc/49/00/34/1066490034.db2.gz CEBQOIYTBQWSOI-LJQANCHMSA-N 0 0 493.471 4.530 20 0 JJADRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001456045184 1066490080 /nfs/dbraw/zinc/49/00/80/1066490080.db2.gz BGTLGBQMPWENJE-XHCCPWGMSA-N 0 0 452.595 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](CF)c3ccc(Br)cc3)n2Cc2cnn(C)c2)o1 ZINC001361172300 1066490133 /nfs/dbraw/zinc/49/01/33/1066490133.db2.gz ZQRDEMBKESAEHN-GOSISDBHSA-N 0 0 473.350 4.538 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001444665797 1066490190 /nfs/dbraw/zinc/49/01/90/1066490190.db2.gz IKZFGDXCGOKMLT-HXUWFJFHSA-N 0 0 458.452 4.849 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cn1 ZINC001361173601 1066490567 /nfs/dbraw/zinc/49/05/67/1066490567.db2.gz SVVUGKSVIQEUPA-UHFFFAOYSA-N 0 0 454.527 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361173380 1066490597 /nfs/dbraw/zinc/49/05/97/1066490597.db2.gz GSIMYNZNLYDZJO-PMACEKPBSA-N 0 0 465.598 4.742 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCCOC(F)F)cc1Br ZINC001361173744 1066490651 /nfs/dbraw/zinc/49/06/51/1066490651.db2.gz ITMTUDNSQUVQGT-AWEZNQCLSA-N 0 0 461.376 4.587 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCSCC(F)(F)F)cc1Br ZINC001361173766 1066490670 /nfs/dbraw/zinc/49/06/70/1066490670.db2.gz JFASTOJHSSLSSL-AWEZNQCLSA-N 0 0 479.366 4.537 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669361 1066490928 /nfs/dbraw/zinc/49/09/28/1066490928.db2.gz PWPRSZLUXGJLKS-ZCYQVOJMSA-N 0 0 450.966 4.837 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Br)c2Cl)c(C)c1 ZINC001456047527 1066491682 /nfs/dbraw/zinc/49/16/82/1066491682.db2.gz JMQCHLXSMIXQQC-MRXNPFEDSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001444674639 1066491669 /nfs/dbraw/zinc/49/16/69/1066491669.db2.gz QXQXVKZHMORUDI-SFHVURJKSA-N 0 0 458.267 4.970 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2cccc(C(F)(F)F)c2)o1 ZINC001361175072 1066491718 /nfs/dbraw/zinc/49/17/18/1066491718.db2.gz BIGTUMMZASMEMP-UHFFFAOYSA-N 0 0 491.558 4.708 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCc2nccs2)cc1Br ZINC001361174734 1066491770 /nfs/dbraw/zinc/49/17/70/1066491770.db2.gz WCKXNWKFGOTIHX-OAHLLOKOSA-N 0 0 464.458 4.657 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(C)c3C)cc2c1 ZINC001456048783 1066492333 /nfs/dbraw/zinc/49/23/33/1066492333.db2.gz MOTGTOQOQOEZKD-HXUWFJFHSA-N 0 0 455.967 4.667 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)cc1 ZINC001456048050 1066492340 /nfs/dbraw/zinc/49/23/40/1066492340.db2.gz JIYKBCTYELILHV-HXUWFJFHSA-N 0 0 453.951 4.570 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCCNc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001444674901 1066492288 /nfs/dbraw/zinc/49/22/88/1066492288.db2.gz WFMVKIIMMBRXMM-VPUSJEBWSA-N 0 0 457.574 4.716 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001444680831 1066492672 /nfs/dbraw/zinc/49/26/72/1066492672.db2.gz ZMOSZCYBIKHJPO-OALUTQOASA-N 0 0 453.366 4.717 20 0 JJADRN O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1cc(F)cc(Br)c1F ZINC001456049821 1066492695 /nfs/dbraw/zinc/49/26/95/1066492695.db2.gz UBGKRBNYTDPMNW-HNNXBMFYSA-N 0 0 451.223 4.848 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001456049632 1066492838 /nfs/dbraw/zinc/49/28/38/1066492838.db2.gz NYWQVRDHOVMIKB-OTWHNJEPSA-N 0 0 450.482 4.537 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](C)Oc3cccc(Cl)c3)c2)cc1 ZINC001444680765 1066492966 /nfs/dbraw/zinc/49/29/66/1066492966.db2.gz BKHFHHHWAWAPPO-QGZVFWFLSA-N 0 0 458.967 4.647 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(C)C)n2CCN(C)CC(F)(F)F)cc1Br ZINC001361175950 1066493888 /nfs/dbraw/zinc/49/38/88/1066493888.db2.gz ZGMSKJVPMWBKFZ-UHFFFAOYSA-N 0 0 462.358 4.602 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H](C)CC(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001456053709 1066494476 /nfs/dbraw/zinc/49/44/76/1066494476.db2.gz HQBHNNVTKJWAHV-FHJLPGHOSA-N 0 0 456.608 4.777 20 0 JJADRN Cc1csc([C@H](NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)C2CC2)n1 ZINC001444699650 1066494482 /nfs/dbraw/zinc/49/44/82/1066494482.db2.gz NHZVCKKBOLGFGV-OAQYLSRUSA-N 0 0 459.612 4.555 20 0 JJADRN Cc1csc([C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)C2CC2)n1 ZINC001444698081 1066494624 /nfs/dbraw/zinc/49/46/24/1066494624.db2.gz JOMRTHWLNPMRJN-HXUWFJFHSA-N 0 0 459.568 4.581 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC001444705558 1066495071 /nfs/dbraw/zinc/49/50/71/1066495071.db2.gz KGHPNKOXMSIXCH-KRWDZBQOSA-N 0 0 458.584 4.973 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545968638 1066495163 /nfs/dbraw/zinc/49/51/63/1066495163.db2.gz IUBZWPXUTILWOV-BPQIPLTHSA-N 0 0 467.536 4.883 20 0 JJADRN C[C@](Cc1cccc(Br)c1)(NC(=O)COc1ccccc1C=O)c1ccccc1 ZINC001444705600 1066495261 /nfs/dbraw/zinc/49/52/61/1066495261.db2.gz KJFLRZJOTSKTNQ-XMMPIXPASA-N 0 0 452.348 4.915 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2CCCOCC(F)F)cc1Br ZINC001361177351 1066495217 /nfs/dbraw/zinc/49/52/17/1066495217.db2.gz ABZITDJQIVVCGS-UHFFFAOYSA-N 0 0 471.268 4.686 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N=[S@](C)(=O)C1CCCCC1)NC(=O)OC(C)(C)C ZINC001456054103 1066495221 /nfs/dbraw/zinc/49/52/21/1066495221.db2.gz XKBPHUJIABZKJJ-QPHCHLROSA-N 0 0 452.617 4.998 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC001456058032 1066497480 /nfs/dbraw/zinc/49/74/80/1066497480.db2.gz YCNWBRJMNMKVIF-QAPCUYQASA-N 0 0 451.361 4.622 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1C ZINC001444727087 1066497443 /nfs/dbraw/zinc/49/74/43/1066497443.db2.gz XVGFYWSVROFFDQ-LJQANCHMSA-N 0 0 457.546 4.570 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@]2(O)CCC[C@@H]2C)o1 ZINC001361177895 1066497738 /nfs/dbraw/zinc/49/77/38/1066497738.db2.gz BHGMOFBPVCHAIH-NYHFZMIOSA-N 0 0 459.388 4.797 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(C)noc3C)n2CCOc2ccc(F)c(Cl)c2)o1 ZINC001361178032 1066497752 /nfs/dbraw/zinc/49/77/52/1066497752.db2.gz XIYXAWPVFGRQBZ-UHFFFAOYSA-N 0 0 459.909 4.959 20 0 JJADRN CC(C)(CNC(=O)c1ccc(-c2ccccn2)[nH]c1=O)Sc1ccc(Br)cc1 ZINC001444729328 1066497983 /nfs/dbraw/zinc/49/79/83/1066497983.db2.gz VKWFXUFQVXSQNV-UHFFFAOYSA-N 0 0 458.381 4.912 20 0 JJADRN C[C@H](CNC(=O)c1c[nH]c2cccc(Br)c12)Oc1ccc(Br)cc1 ZINC001444728873 1066498039 /nfs/dbraw/zinc/49/80/39/1066498039.db2.gz CHVNBKLEZLQAKF-LLVKDONJSA-N 0 0 452.146 4.890 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CC2CCC(C(F)(F)F)CC2)o1 ZINC001361178230 1066498874 /nfs/dbraw/zinc/49/88/74/1066498874.db2.gz JGTVRXVNQDIKEG-UHFFFAOYSA-N 0 0 475.515 4.951 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2Cc2ccc(NC(N)=O)cc2)o1 ZINC001361178795 1066499492 /nfs/dbraw/zinc/49/94/92/1066499492.db2.gz SUJXUHCTPANSSC-UHFFFAOYSA-N 0 0 456.959 4.737 20 0 JJADRN COC[C@](C)(O)CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC001444736352 1066499548 /nfs/dbraw/zinc/49/95/48/1066499548.db2.gz IGLMVKSESNAOMN-LGQLLILUSA-N 0 0 454.929 4.641 20 0 JJADRN CC[C@@H](O)CCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC001444739576 1066500007 /nfs/dbraw/zinc/50/00/07/1066500007.db2.gz FUDXERCCXBJNHS-LJQANCHMSA-N 0 0 450.579 4.505 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CCCOC2CCCCC2)o1 ZINC001361178953 1066500029 /nfs/dbraw/zinc/50/00/29/1066500029.db2.gz VQGRJRALSPSZMR-XIFFEERXSA-N 0 0 470.639 4.960 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC2(C(N)=O)CCCC2)o1 ZINC001361178943 1066500090 /nfs/dbraw/zinc/50/00/90/1066500090.db2.gz VHMKYZZLKHMTMD-UHFFFAOYSA-N 0 0 461.488 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCOCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001361179053 1066500154 /nfs/dbraw/zinc/50/01/54/1066500154.db2.gz OAKBORIOXNVJBS-YADHBBJMSA-N 0 0 458.986 4.624 20 0 JJADRN C[C@](O)(CNC(=O)C1(c2cccc(Br)c2)CCCCC1)c1ccc(F)cc1F ZINC001444742552 1066500124 /nfs/dbraw/zinc/50/01/24/1066500124.db2.gz CPAFBMBCKJLOMI-NRFANRHFSA-N 0 0 452.339 4.953 20 0 JJADRN Cc1cccc([C@H]2CCCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC001444738838 1066500190 /nfs/dbraw/zinc/50/01/90/1066500190.db2.gz QAFZMTDTNGWJQC-HXUWFJFHSA-N 0 0 455.407 4.642 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2=O)cc1F ZINC001456066242 1066500070 /nfs/dbraw/zinc/50/00/70/1066500070.db2.gz HMPUGTLQOWCBLU-LJQANCHMSA-N 0 0 451.586 4.570 20 0 JJADRN CC[C@H](NC(=O)CSc1nccn1-c1cccc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC001444747898 1066500553 /nfs/dbraw/zinc/50/05/53/1066500553.db2.gz SZYXWTBXWQDMBM-AWEZNQCLSA-N 0 0 456.515 4.716 20 0 JJADRN C[C@@](O)(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1F ZINC001444747998 1066500873 /nfs/dbraw/zinc/50/08/73/1066500873.db2.gz KOTGGWAVKFBPFP-HXUWFJFHSA-N 0 0 456.436 4.674 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 ZINC001444743775 1066500880 /nfs/dbraw/zinc/50/08/80/1066500880.db2.gz UMDIINJNOSLBAH-QFIPXVFZSA-N 0 0 456.558 4.952 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)c1nc(C(F)(F)F)cs1 ZINC001444749937 1066501316 /nfs/dbraw/zinc/50/13/16/1066501316.db2.gz WOELJSDYQNFYPJ-ZBFHGGJFSA-N 0 0 454.518 4.982 20 0 JJADRN CCN(C(=O)Cc1cnn2c1CCCC2)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456069974 1066501586 /nfs/dbraw/zinc/50/15/86/1066501586.db2.gz CEWOHBCRTHVTIV-QHCPKHFHSA-N 0 0 453.384 4.558 20 0 JJADRN Cc1noc(C)c1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 ZINC001361180820 1066501590 /nfs/dbraw/zinc/50/15/90/1066501590.db2.gz JBIYVIDEKBCBLU-UHFFFAOYSA-N 0 0 481.398 4.895 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@]2(C)CCCS2)cc1Br ZINC001361180737 1066501648 /nfs/dbraw/zinc/50/16/48/1066501648.db2.gz HBUDFIQLIIYQFN-OAQYLSRUSA-N 0 0 475.460 4.672 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2cccnc2)C1 ZINC001546079074 1066501773 /nfs/dbraw/zinc/50/17/73/1066501773.db2.gz FPOVUWBNWVDOEM-HSZRJFAPSA-N 0 0 470.415 4.884 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Br)cc3)n2CCCc2c[nH]nc2C)C1 ZINC001546079127 1066501796 /nfs/dbraw/zinc/50/17/96/1066501796.db2.gz GFMKMDPBXJTZGM-QHCPKHFHSA-N 0 0 487.446 4.910 20 0 JJADRN CCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001456070695 1066502138 /nfs/dbraw/zinc/50/21/38/1066502138.db2.gz FBYAMSWPGVNUCT-DEOSSOPVSA-N 0 0 459.571 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CCCOCC2CC2)cc1Br ZINC001361181030 1066502092 /nfs/dbraw/zinc/50/20/92/1066502092.db2.gz DRZABLIZMPBOAI-UHFFFAOYSA-N 0 0 476.444 4.926 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC2(C1)CCOCC2)NC(=O)OC(C)(C)C ZINC001545969045 1066502156 /nfs/dbraw/zinc/50/21/56/1066502156.db2.gz PXCFCRLEJZCRGG-SFHVURJKSA-N 0 0 490.048 4.909 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC001444760832 1066502303 /nfs/dbraw/zinc/50/23/03/1066502303.db2.gz YZASIJURIWCPOP-NRFANRHFSA-N 0 0 452.910 4.600 20 0 JJADRN COc1cc(/C=C\C(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc(Br)c1O ZINC001444766390 1066502670 /nfs/dbraw/zinc/50/26/70/1066502670.db2.gz KHCDQFLKLMHDOZ-WAYWQWQTSA-N 0 0 454.723 4.670 20 0 JJADRN O=C(Nc1cccc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c1)c1ccc(Br)o1 ZINC001444768132 1066502836 /nfs/dbraw/zinc/50/28/36/1066502836.db2.gz LEPHOAAPIKPRDH-MRXNPFEDSA-N 0 0 459.271 4.687 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@H]2CCC=CO2)cc1Br ZINC001361181261 1066502928 /nfs/dbraw/zinc/50/29/28/1066502928.db2.gz RYOWZSQULRVKMG-LJQANCHMSA-N 0 0 454.372 4.740 20 0 JJADRN CCN(C(=O)CN1CCc2ccccc21)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456073638 1066503037 /nfs/dbraw/zinc/50/30/37/1066503037.db2.gz MFFQGZKLPVKEHQ-XMMPIXPASA-N 0 0 450.380 4.845 20 0 JJADRN CCN(C(=O)C(=O)c1ccccc1OC)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456072628 1066503082 /nfs/dbraw/zinc/50/30/82/1066503082.db2.gz LFBPGMMSKPAYCJ-NRFANRHFSA-N 0 0 453.336 4.674 20 0 JJADRN CCN(C(=O)CN1CCc2ccccc21)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456073631 1066503099 /nfs/dbraw/zinc/50/30/99/1066503099.db2.gz MFFQGZKLPVKEHQ-DEOSSOPVSA-N 0 0 450.380 4.845 20 0 JJADRN CSCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC001456073517 1066503127 /nfs/dbraw/zinc/50/31/27/1066503127.db2.gz LODDOHWQGHACRC-UHFFFAOYSA-N 0 0 452.601 4.549 20 0 JJADRN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001456072531 1066503177 /nfs/dbraw/zinc/50/31/77/1066503177.db2.gz FWGBPVQERYJVRA-APWZRJJASA-N 0 0 450.764 4.814 20 0 JJADRN O=C(CCCOc1ccccc1Cl)N1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001456073264 1066503188 /nfs/dbraw/zinc/50/31/88/1066503188.db2.gz VAOTZHOJQMNODN-UHFFFAOYSA-N 0 0 456.970 4.903 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC001456073483 1066503216 /nfs/dbraw/zinc/50/32/16/1066503216.db2.gz GIBQQRFTHRNPFG-AWEZNQCLSA-N 0 0 451.296 4.618 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 ZINC001361181484 1066503310 /nfs/dbraw/zinc/50/33/10/1066503310.db2.gz YILOWUJLSDIYSC-UHFFFAOYSA-N 0 0 480.414 4.712 20 0 JJADRN CCN(C(=O)CSc1nnnn1C1CCCC1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075648 1066503563 /nfs/dbraw/zinc/50/35/63/1066503563.db2.gz PYNRPPSCFYCHNH-NRFANRHFSA-N 0 0 457.003 4.567 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)C2)cc1 ZINC001444781065 1066503642 /nfs/dbraw/zinc/50/36/42/1066503642.db2.gz PNYATUHCDRULBR-AOYPEHQESA-N 0 0 457.574 4.748 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)C1 ZINC001456076710 1066504109 /nfs/dbraw/zinc/50/41/09/1066504109.db2.gz IQRUJUVVKCRTMN-LEWJYISDSA-N 0 0 455.986 4.649 20 0 JJADRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001444786949 1066504294 /nfs/dbraw/zinc/50/42/94/1066504294.db2.gz OEGJMDJYWNDHQJ-UHFFFAOYSA-N 0 0 450.448 4.793 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Oc3ccc(NC(=O)c4cnn(C)c4)cc3)c(C(C)(C)C)n2)cc1 ZINC001456077748 1066504579 /nfs/dbraw/zinc/50/45/79/1066504579.db2.gz RBGXDFHZWINHIW-UHFFFAOYSA-N 0 0 457.534 4.683 20 0 JJADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1c(F)cccc1Br ZINC001361182286 1066504624 /nfs/dbraw/zinc/50/46/24/1066504624.db2.gz RCQHGKDQOXLXKO-UHFFFAOYSA-N 0 0 459.113 4.501 20 0 JJADRN O=C(Nc1c(F)cccc1Br)c1cc(Br)ncc1Br ZINC001361182081 1066504686 /nfs/dbraw/zinc/50/46/86/1066504686.db2.gz HYBFDOKFCXFWMK-UHFFFAOYSA-N 0 0 452.903 4.761 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2ccc(C(F)(F)F)cc2)o1 ZINC001361181895 1066504697 /nfs/dbraw/zinc/50/46/97/1066504697.db2.gz ZYWJBTQZKHGACZ-UHFFFAOYSA-N 0 0 464.879 4.937 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC3)n2CCOc2ncccc2Cl)cc1Br ZINC001361182779 1066504708 /nfs/dbraw/zinc/50/47/08/1066504708.db2.gz AFGKGHWMCUGRBE-UHFFFAOYSA-N 0 0 476.806 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3csc(Br)c3)n2C[C@@H]2CCCCO2)o1 ZINC001361181880 1066504729 /nfs/dbraw/zinc/50/47/29/1066504729.db2.gz ZLBDNLGVDPFSBW-HNNXBMFYSA-N 0 0 451.390 4.876 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC001444790711 1066504685 /nfs/dbraw/zinc/50/46/85/1066504685.db2.gz YZMGYLLDCSZTIA-UHFFFAOYSA-N 0 0 450.526 4.924 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2)nnc1N(C)CCCc1ccccn1)NC(=O)OC(C)(C)C ZINC001545969256 1066504769 /nfs/dbraw/zinc/50/47/69/1066504769.db2.gz UVQGEXUYAMEMIE-NRFANRHFSA-N 0 0 464.614 4.712 20 0 JJADRN CCN(C(=O)[C@H]1CCCc2nn(C)cc21)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078825 1066504976 /nfs/dbraw/zinc/50/49/76/1066504976.db2.gz WIOUAWHXCFUSKL-SIKLNZKXSA-N 0 0 453.384 4.636 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCc2ccc(OC(F)(F)F)cc2)o1 ZINC001361182808 1066505081 /nfs/dbraw/zinc/50/50/81/1066505081.db2.gz BGTUJFHJQTVWIO-LJQANCHMSA-N 0 0 464.488 4.993 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001444795383 1066505223 /nfs/dbraw/zinc/50/52/23/1066505223.db2.gz FLQIPRCZSMYAPH-FJIJXJHWSA-N 0 0 452.595 4.954 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001444795390 1066505236 /nfs/dbraw/zinc/50/52/36/1066505236.db2.gz FLQIPRCZSMYAPH-SSPYTLHUSA-N 0 0 452.595 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3Cl)nc2)CC1 ZINC001456080326 1066505470 /nfs/dbraw/zinc/50/54/70/1066505470.db2.gz CJZMYKFKUNUALT-UHFFFAOYSA-N 0 0 458.990 4.708 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C2CC2)nc1C ZINC001456079400 1066505493 /nfs/dbraw/zinc/50/54/93/1066505493.db2.gz YFXHTQPHEIDBCT-LSDHHAIUSA-N 0 0 454.470 4.826 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001456079671 1066505623 /nfs/dbraw/zinc/50/56/23/1066505623.db2.gz BFVLAOIBMGQULU-LBPRGKRZSA-N 0 0 455.287 4.933 20 0 JJADRN C[C@H](CC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444804227 1066506062 /nfs/dbraw/zinc/50/60/62/1066506062.db2.gz MQJBUGTZTHMEEQ-IKGGRYGDSA-N 0 0 457.036 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H]3c3ccccc3)nc2)CC1 ZINC001456080751 1066506005 /nfs/dbraw/zinc/50/60/05/1066506005.db2.gz DSXGTBIGCMHJFG-VXKWHMMOSA-N 0 0 450.583 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC001361183864 1066506651 /nfs/dbraw/zinc/50/66/51/1066506651.db2.gz QDCZKCKHLLIGFX-NHFHULPWSA-N 0 0 465.411 4.751 20 0 JJADRN CCNc1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)s1 ZINC001456086585 1066506564 /nfs/dbraw/zinc/50/65/64/1066506564.db2.gz FRLQAVGAIVSFLM-UHFFFAOYSA-N 0 0 455.243 4.759 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)cc1Br ZINC001361184346 1066507059 /nfs/dbraw/zinc/50/70/59/1066507059.db2.gz HJGSQPIONHZXPX-JJCDCTGGSA-N 0 0 497.503 4.569 20 0 JJADRN O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001444808019 1066507006 /nfs/dbraw/zinc/50/70/06/1066507006.db2.gz HAPDEDJHCHBPPX-LJQANCHMSA-N 0 0 452.308 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 ZINC001456087993 1066506951 /nfs/dbraw/zinc/50/69/51/1066506951.db2.gz SNKKJHQFEXRFKY-FYYLOGMGSA-N 0 0 464.610 4.736 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c1Br ZINC001456088697 1066507035 /nfs/dbraw/zinc/50/70/35/1066507035.db2.gz CDCNPRGMPDXYQK-UHFFFAOYSA-N 0 0 456.340 4.976 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cncc(OCC(F)F)c1 ZINC001456090578 1066507698 /nfs/dbraw/zinc/50/76/98/1066507698.db2.gz XIXKYTXDJXJGDX-QFIPXVFZSA-N 0 0 451.473 4.955 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)(F)F ZINC001361184761 1066508064 /nfs/dbraw/zinc/50/80/64/1066508064.db2.gz SRIOULMPAHNBRW-UHFFFAOYSA-N 0 0 485.352 4.803 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1 ZINC001456098742 1066508759 /nfs/dbraw/zinc/50/87/59/1066508759.db2.gz MVVJOQTVOISRBX-CTNGQTDRSA-N 0 0 459.537 4.706 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1 ZINC001456098766 1066508871 /nfs/dbraw/zinc/50/88/71/1066508871.db2.gz MVVJOQTVOISRBX-PZJWPPBQSA-N 0 0 459.537 4.706 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(C(F)(F)F)c1 ZINC001361185547 1066509147 /nfs/dbraw/zinc/50/91/47/1066509147.db2.gz JRJYDWSNUIWARM-HNNXBMFYSA-N 0 0 452.448 4.691 20 0 JJADRN O=C(O[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(Cn2ccnn2)c1 ZINC001456098937 1066509337 /nfs/dbraw/zinc/50/93/37/1066509337.db2.gz CFMOPOFDLWTCGL-KRWDZBQOSA-N 0 0 454.246 4.939 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545969539 1066509345 /nfs/dbraw/zinc/50/93/45/1066509345.db2.gz ZJQWTNSPUIAAIS-OTWHNJEPSA-N 0 0 459.660 4.887 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C1CC1 ZINC001456100256 1066509458 /nfs/dbraw/zinc/50/94/58/1066509458.db2.gz AUVOTQNEKVJEEW-BEFAXECRSA-N 0 0 450.362 4.926 20 0 JJADRN CC[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](CCOC)C1)NC(=O)OC(C)(C)C ZINC001545969547 1066509519 /nfs/dbraw/zinc/50/95/19/1066509519.db2.gz ZNERNGWXNSDNCW-TZIWHRDSSA-N 0 0 494.640 4.659 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)Cc1ccccn1)NC(=O)OC(C)(C)C ZINC001545969576 1066509816 /nfs/dbraw/zinc/50/98/16/1066509816.db2.gz ZYAIOKLQGHXJDF-IBGZPJMESA-N 0 0 450.587 4.588 20 0 JJADRN COCCNc1nc(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cs1 ZINC001444825802 1066510037 /nfs/dbraw/zinc/51/00/37/1066510037.db2.gz HGHYHUFEPNKEPR-UHFFFAOYSA-N 0 0 455.546 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCCc3nc(C(F)(F)F)cs3)ccc21 ZINC001361186617 1066509964 /nfs/dbraw/zinc/50/99/64/1066509964.db2.gz YMPPOHAARLVOHR-UHFFFAOYSA-N 0 0 455.502 4.822 20 0 JJADRN O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001361186377 1066510089 /nfs/dbraw/zinc/51/00/89/1066510089.db2.gz UBRHLSCUAGLGPV-FGTMMUONSA-N 0 0 456.386 4.611 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001361186525 1066510126 /nfs/dbraw/zinc/51/01/26/1066510126.db2.gz SFRSWNGVCGAKIZ-UHFFFAOYSA-N 0 0 454.876 4.852 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 ZINC001444829519 1066510349 /nfs/dbraw/zinc/51/03/49/1066510349.db2.gz SWHCICJJUBDBHN-DPLHUUCSSA-N 0 0 453.558 4.662 20 0 JJADRN Cc1ccnc(Oc2cc(NC(=O)[C@](C)(O)CN3c4ccccc4C(C)(C)C3=O)ccc2C)c1 ZINC001444833252 1066510379 /nfs/dbraw/zinc/51/03/79/1066510379.db2.gz DCUNIUSGSGXELM-HHHXNRCGSA-N 0 0 459.546 4.505 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001444838663 1066510860 /nfs/dbraw/zinc/51/08/60/1066510860.db2.gz ISZPYVLTTSXMEI-FQEVSTJZSA-N 0 0 456.386 4.753 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361187142 1066511074 /nfs/dbraw/zinc/51/10/74/1066511074.db2.gz HEKMESLDXDPWEY-AEFFLSMTSA-N 0 0 486.642 4.627 20 0 JJADRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cnc(Cl)c(Br)c1 ZINC001456108618 1066511039 /nfs/dbraw/zinc/51/10/39/1066511039.db2.gz HMZRUMWOWSXTAU-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1ccc(-c2ncon2)cc1 ZINC001456109577 1066511055 /nfs/dbraw/zinc/51/10/55/1066511055.db2.gz ZSJCYRBZKQEAQP-UHFFFAOYSA-N 0 0 459.165 4.612 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001456110058 1066511457 /nfs/dbraw/zinc/51/14/57/1066511457.db2.gz YFSQAWKKISMGDF-JTQLQIEISA-N 0 0 454.296 4.576 20 0 JJADRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cc(Br)ncc1Cl ZINC001456111122 1066511503 /nfs/dbraw/zinc/51/15/03/1066511503.db2.gz ZUMPDVPPIVMTDQ-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN COCCN(CCCOc1ccc(F)cc1)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001456115817 1066511920 /nfs/dbraw/zinc/51/19/20/1066511920.db2.gz DKRXJFGGBCHPQG-UHFFFAOYSA-N 0 0 450.432 4.950 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CCc2nccnc2C)o1 ZINC001361187429 1066511991 /nfs/dbraw/zinc/51/19/91/1066511991.db2.gz RNZARSSXWXOYCE-UHFFFAOYSA-N 0 0 481.398 4.629 20 0 JJADRN COc1ccc(CN(C(=O)CCOCC(F)(F)C(F)F)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001456113669 1066511994 /nfs/dbraw/zinc/51/19/94/1066511994.db2.gz VATNDKQKQCSARY-UHFFFAOYSA-N 0 0 453.436 4.720 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001456115812 1066512072 /nfs/dbraw/zinc/51/20/72/1066512072.db2.gz DJFTXGKVCOPNGR-HXUWFJFHSA-N 0 0 450.501 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@](C)(O)C(C)C)cc1Br ZINC001361187344 1066512085 /nfs/dbraw/zinc/51/20/85/1066512085.db2.gz NKTLEZJVAAGUCY-QHCPKHFHSA-N 0 0 479.463 4.676 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCC[C@H](O)C2)cc1Br ZINC001361187568 1066512432 /nfs/dbraw/zinc/51/24/32/1066512432.db2.gz XJOIUWHNEUETNQ-FPOVZHCZSA-N 0 0 491.474 4.820 20 0 JJADRN C[C@H]1CN(C(=O)c2cccc(Br)c2I)[C@@H]1c1ccccc1 ZINC001444853569 1066513075 /nfs/dbraw/zinc/51/30/75/1066513075.db2.gz HSUMLBYZZPGIJH-ZBEGNZNMSA-N 0 0 456.121 4.887 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 ZINC001444853236 1066513121 /nfs/dbraw/zinc/51/31/21/1066513121.db2.gz YHTBAFCPQJFUMX-LJQANCHMSA-N 0 0 455.027 4.582 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC001456119233 1066513491 /nfs/dbraw/zinc/51/34/91/1066513491.db2.gz RDKQUYUAMTYTOB-HJWRWDBZSA-N 0 0 458.392 4.989 20 0 JJADRN CC[C@](C)(CCCNC(=O)CSc1nccn1-c1cccc(Cl)c1C)C1OCCO1 ZINC001444854685 1066513670 /nfs/dbraw/zinc/51/36/70/1066513670.db2.gz SLNNNHXBUNBVGG-JOCHJYFZSA-N 0 0 452.020 4.612 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2Cc2nccn2C(F)F)o1 ZINC001361188601 1066514040 /nfs/dbraw/zinc/51/40/40/1066514040.db2.gz VBAIHQPCSICTLW-UHFFFAOYSA-N 0 0 460.460 4.531 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001444859316 1066514178 /nfs/dbraw/zinc/51/41/78/1066514178.db2.gz UZVGJHGKTNRPCV-XLIONFOSSA-N 0 0 459.587 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3C)n2C[C@](C)(O)c2ccco2)o1 ZINC001361188574 1066514233 /nfs/dbraw/zinc/51/42/33/1066514233.db2.gz UHYITJNCIQXWHP-VWLOTQADSA-N 0 0 450.539 4.561 20 0 JJADRN Cn1c2ccccc2n(CC(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)c1=O ZINC001361189041 1066514724 /nfs/dbraw/zinc/51/47/24/1066514724.db2.gz SVAMQYLWOPFQSU-UHFFFAOYSA-N 0 0 456.420 4.543 20 0 JJADRN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(F)cc1OC(F)F ZINC001444864695 1066514892 /nfs/dbraw/zinc/51/48/92/1066514892.db2.gz OEANUEFTQYQJDQ-KRWDZBQOSA-N 0 0 450.360 4.816 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@H](C)C2)cc1C ZINC001361190091 1066515075 /nfs/dbraw/zinc/51/50/75/1066515075.db2.gz SXCGNVBGTGVWRA-MRXNPFEDSA-N 0 0 455.352 4.523 20 0 JJADRN Cc1cccc(NCCNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 ZINC001456124318 1066515126 /nfs/dbraw/zinc/51/51/26/1066515126.db2.gz AFAJPRCJWIFPAS-NRFANRHFSA-N 0 0 458.331 4.640 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCCc3cc(F)ccc3F)cc2Br)on1 ZINC001361189644 1066515141 /nfs/dbraw/zinc/51/51/41/1066515141.db2.gz JQKQCVOSKYUCDS-UHFFFAOYSA-N 0 0 451.267 4.575 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361190166 1066515148 /nfs/dbraw/zinc/51/51/48/1066515148.db2.gz FANSIJYFDBFAOK-VWLOTQADSA-N 0 0 468.529 4.618 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)COCCc2ccccc2)C1 ZINC001456125307 1066515191 /nfs/dbraw/zinc/51/51/91/1066515191.db2.gz TUFACXLRZVWZGU-DEOSSOPVSA-N 0 0 452.595 4.674 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2Cc2cccc(C(F)(F)F)n2)o1 ZINC001361190495 1066515551 /nfs/dbraw/zinc/51/55/51/1066515551.db2.gz KIHCECHKBKYZGU-UHFFFAOYSA-N 0 0 475.446 4.963 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546079770 1066515740 /nfs/dbraw/zinc/51/57/40/1066515740.db2.gz SUROOLJQFMYYJU-HRFSGMKKSA-N 0 0 499.656 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c2ccccc21 ZINC001456125869 1066515749 /nfs/dbraw/zinc/51/57/49/1066515749.db2.gz QQLIJQSAIRVJDU-ZOIIRCJOSA-N 0 0 450.579 4.514 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001546079771 1066515772 /nfs/dbraw/zinc/51/57/72/1066515772.db2.gz SUROOLJQFMYYJU-NFQMXDRXSA-N 0 0 499.656 4.892 20 0 JJADRN Cc1ccc(CNC(=O)NCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc1 ZINC001444882146 1066515944 /nfs/dbraw/zinc/51/59/44/1066515944.db2.gz PHHLDWRAABXQST-UHFFFAOYSA-N 0 0 451.567 4.759 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001444880334 1066515955 /nfs/dbraw/zinc/51/59/55/1066515955.db2.gz OCTJQURFZBLLQL-INIZCTEOSA-N 0 0 457.434 4.708 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOCc3ccccc3)n2C[C@](C)(O)c2cc(C)oc2C)o1 ZINC001361190824 1066516285 /nfs/dbraw/zinc/51/62/85/1066516285.db2.gz UVISNAAQJCCBCK-SANMLTNESA-N 0 0 464.566 4.617 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001444896480 1066517022 /nfs/dbraw/zinc/51/70/22/1066517022.db2.gz KFYNATIRSYFZHG-UHFFFAOYSA-N 0 0 452.081 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1cc(Cc3ccccc3)ccc1O)C2 ZINC001456130351 1066517172 /nfs/dbraw/zinc/51/71/72/1066517172.db2.gz LGBMZEVLQNKWQO-MHZLTWQESA-N 0 0 450.579 4.989 20 0 JJADRN Cc1cccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1NC(=O)c1ccncc1 ZINC001444906756 1066517447 /nfs/dbraw/zinc/51/74/47/1066517447.db2.gz TZXYPKMMQCHHNT-UHFFFAOYSA-N 0 0 450.296 4.533 20 0 JJADRN COC(=O)Nc1cc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc(C(F)(F)F)c1 ZINC001456133114 1066517645 /nfs/dbraw/zinc/51/76/45/1066517645.db2.gz BJQGIQLXFCVMDG-UHFFFAOYSA-N 0 0 455.408 4.512 20 0 JJADRN Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2Cc2ccsc2)cc1Br ZINC001361191397 1066517716 /nfs/dbraw/zinc/51/77/16/1066517716.db2.gz RSCXUIRDYOAQPO-UHFFFAOYSA-N 0 0 461.429 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2Cc2nccn2C(F)F)cc1Br ZINC001361191473 1066518040 /nfs/dbraw/zinc/51/80/40/1066518040.db2.gz UWWDZXQFDFBKAG-UHFFFAOYSA-N 0 0 481.345 4.966 20 0 JJADRN C[C@H]1CN(C(=O)CCn2ccc3cc(Cl)ccc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001444925313 1066518276 /nfs/dbraw/zinc/51/82/76/1066518276.db2.gz VEXPHGKSQWIOIE-KRWDZBQOSA-N 0 0 458.389 4.640 20 0 JJADRN CCc1cc(N2CCC[C@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)C2)ncn1 ZINC001456136113 1066518632 /nfs/dbraw/zinc/51/86/32/1066518632.db2.gz JHUYNIGTHCPPDX-FQEVSTJZSA-N 0 0 455.484 4.519 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(F)cc2Br)CC1 ZINC001361191762 1066518676 /nfs/dbraw/zinc/51/86/76/1066518676.db2.gz CTBFBZVWNRUKBI-CQSZACIVSA-N 0 0 455.755 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361191573 1066518690 /nfs/dbraw/zinc/51/86/90/1066518690.db2.gz YVPXQRGHCSBLIJ-LJQANCHMSA-N 0 0 476.463 4.802 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC001361191834 1066519412 /nfs/dbraw/zinc/51/94/12/1066519412.db2.gz AMFNIULNHQRJJN-MRXNPFEDSA-N 0 0 451.792 4.781 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)c(=O)oc2c1 ZINC001456139468 1066519612 /nfs/dbraw/zinc/51/96/12/1066519612.db2.gz REAAUZJRBTWORO-IBGZPJMESA-N 0 0 454.498 4.588 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)NC(=O)OC(C)(C)C ZINC001444936130 1066519895 /nfs/dbraw/zinc/51/98/95/1066519895.db2.gz PPFOLJACSOASST-IPMKNSEASA-N 0 0 453.421 4.950 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)c1cnc(NC(=O)OC(C)(C)C)s1)NC(=O)OC(C)(C)C ZINC001444937890 1066519931 /nfs/dbraw/zinc/51/99/31/1066519931.db2.gz SWFUTBUXUBHDCV-AWEZNQCLSA-N 0 0 456.609 4.502 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)[C@H](C)Oc1ccccc1Br)NC(=O)OC(C)(C)C ZINC001444935942 1066520021 /nfs/dbraw/zinc/52/00/21/1066520021.db2.gz OKPGFDPYVOPDJN-RDJZCZTQSA-N 0 0 457.409 4.614 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC001444939208 1066520085 /nfs/dbraw/zinc/52/00/85/1066520085.db2.gz XLQJRJOSACHPMB-QFIPXVFZSA-N 0 0 459.631 4.504 20 0 JJADRN C[C@@H]1CCCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001361192605 1066520105 /nfs/dbraw/zinc/52/01/05/1066520105.db2.gz JSGRONYOGXKTJN-HYBUGGRVSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H](C)C(=O)OC4CCCC4)c23)cc1 ZINC001361193100 1066520151 /nfs/dbraw/zinc/52/01/51/1066520151.db2.gz PZHNQKCLIQBUCO-HNNXBMFYSA-N 0 0 455.605 4.749 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)nn2C)C1 ZINC001546079953 1066520099 /nfs/dbraw/zinc/52/00/99/1066520099.db2.gz XLMJNXAJKMIASD-SANMLTNESA-N 0 0 450.631 4.871 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001456141345 1066520236 /nfs/dbraw/zinc/52/02/36/1066520236.db2.gz ACDQSNFGPDJWOU-VWLOTQADSA-N 0 0 454.636 4.995 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3F)cc2)ccc1F ZINC001444941568 1066520401 /nfs/dbraw/zinc/52/04/01/1066520401.db2.gz ZRRRPCVFVSORJF-UHFFFAOYSA-N 0 0 450.894 4.657 20 0 JJADRN Cc1ccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC(C)(C)c2cccs2)o1 ZINC001361194029 1066520502 /nfs/dbraw/zinc/52/05/02/1066520502.db2.gz CGMDQSMMFCPWFW-UHFFFAOYSA-N 0 0 450.608 4.927 20 0 JJADRN Cn1c(CCNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)nc2ccc(F)cc21 ZINC001456144419 1066520785 /nfs/dbraw/zinc/52/07/85/1066520785.db2.gz ODNCAWZZPVNDMK-UHFFFAOYSA-N 0 0 450.461 4.632 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccccc3OC)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001546080023 1066520818 /nfs/dbraw/zinc/52/08/18/1066520818.db2.gz YYPYPOLWSHAWJU-MHZLTWQESA-N 0 0 499.656 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C2CC(C(C)(C)C)C2)cc1Br ZINC001361194454 1066521026 /nfs/dbraw/zinc/52/10/26/1066521026.db2.gz ODLALUGGBVTMDM-ZLPCBKJTSA-N 0 0 474.447 4.680 20 0 JJADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2I)C1 ZINC001456145675 1066521155 /nfs/dbraw/zinc/52/11/55/1066521155.db2.gz AQTBJBDUUBUWJH-DGCLKSJQSA-N 0 0 450.158 4.998 20 0 JJADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC001456145999 1066521193 /nfs/dbraw/zinc/52/11/93/1066521193.db2.gz CXIINTIWOCFLNP-GOSISDBHSA-N 0 0 459.787 4.885 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2cc(Br)cc(OC(C)C)c2)c1C ZINC001444949280 1066521376 /nfs/dbraw/zinc/52/13/76/1066521376.db2.gz IUAYZQFXAOGGRV-CQSZACIVSA-N 0 0 452.393 4.861 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC001444951053 1066521579 /nfs/dbraw/zinc/52/15/79/1066521579.db2.gz RIKGVTIUIHLYBM-LAUBAEHRSA-N 0 0 459.384 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC[C@H]2COCCO2)cc1Br ZINC001361195534 1066522077 /nfs/dbraw/zinc/52/20/77/1066522077.db2.gz CNQRHBMILFBTTH-APWZRJJASA-N 0 0 477.447 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)NC[C@H]3SCCc4ccccc43)cccc2C1 ZINC001444958198 1066522473 /nfs/dbraw/zinc/52/24/73/1066522473.db2.gz RBPMJUBDAIMTNC-HSZRJFAPSA-N 0 0 452.620 4.669 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361195910 1066522879 /nfs/dbraw/zinc/52/28/79/1066522879.db2.gz HAVUYJXQQGPIEN-JBACZVJFSA-N 0 0 495.624 4.972 20 0 JJADRN CC(C)COc1ccc(C(C)(C)NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001456150911 1066523581 /nfs/dbraw/zinc/52/35/81/1066523581.db2.gz RXLIRNLUFVTWEE-LJQANCHMSA-N 0 0 459.384 4.961 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC001545970961 1066523863 /nfs/dbraw/zinc/52/38/63/1066523863.db2.gz POHUUBXPHMFTFT-FGZHOGPDSA-N 0 0 474.653 4.911 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1(c2cncc(Br)c2)CC1 ZINC001456152129 1066523948 /nfs/dbraw/zinc/52/39/48/1066523948.db2.gz OEAWRAORLVRGRX-UHFFFAOYSA-N 0 0 456.365 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC2([S@@](C)=O)CCC2)cc1Br ZINC001361196454 1066523952 /nfs/dbraw/zinc/52/39/52/1066523952.db2.gz QCFQFUNUHVBQLR-QSAIWZQVSA-N 0 0 479.488 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCCCn2cc(Br)cn2)o1 ZINC001361196392 1066523966 /nfs/dbraw/zinc/52/39/66/1066523966.db2.gz PDZILXNVBKLQMG-HOTGVXAUSA-N 0 0 479.448 4.616 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cn(C)c3ccc(F)cc23)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444967661 1066524448 /nfs/dbraw/zinc/52/44/48/1066524448.db2.gz FTJDPWALHBRWQI-XMMPIXPASA-N 0 0 450.535 4.549 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001444970669 1066524496 /nfs/dbraw/zinc/52/44/96/1066524496.db2.gz AYNWLZJLFQHKLE-ILBGXUMGSA-N 0 0 450.485 4.799 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361196458 1066524542 /nfs/dbraw/zinc/52/45/42/1066524542.db2.gz QDIFYVIFERHOIP-OXJNMPFZSA-N 0 0 469.561 4.692 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361196456 1066524577 /nfs/dbraw/zinc/52/45/77/1066524577.db2.gz QCFQFUNUHVBQLR-VYUPXQACSA-N 0 0 479.488 4.942 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Oc2cccc(C)c2)c1 ZINC001456153314 1066524439 /nfs/dbraw/zinc/52/44/39/1066524439.db2.gz SFMDPTWZENWSNC-UHFFFAOYSA-N 0 0 452.576 4.748 20 0 JJADRN COC(=O)c1ccn(CC(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)n1 ZINC001456155772 1066524459 /nfs/dbraw/zinc/52/44/59/1066524459.db2.gz RBABIUJSFUYDBR-YGPDHOBYSA-N 0 0 451.611 4.620 20 0 JJADRN O=C(NCc1ccc(F)nc1Br)c1ccc(Sc2ccccc2Cl)nn1 ZINC001456155202 1066524561 /nfs/dbraw/zinc/52/45/61/1066524561.db2.gz HALWBNLSWFOZDG-UHFFFAOYSA-N 0 0 453.724 4.508 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@H](c3c(F)cccc3Cl)N3CCCCC3)no2)cc1 ZINC001456156126 1066524890 /nfs/dbraw/zinc/52/48/90/1066524890.db2.gz DZXUJEWSMHMIRQ-NRFANRHFSA-N 0 0 459.905 4.808 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545971142 1066524913 /nfs/dbraw/zinc/52/49/13/1066524913.db2.gz SHVAYTUNTWNKTO-PMACEKPBSA-N 0 0 487.645 4.508 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972480 1066525074 /nfs/dbraw/zinc/52/50/74/1066525074.db2.gz FWQQJYHJGYUZHN-XZOQPEGZSA-N 0 0 456.608 4.893 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001361197092 1066525316 /nfs/dbraw/zinc/52/53/16/1066525316.db2.gz XQQGJWXYXHEKOS-ROUUACIJSA-N 0 0 488.474 4.901 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361197238 1066525376 /nfs/dbraw/zinc/52/53/76/1066525376.db2.gz YOEZRSHROLRRLR-KDOFPFPSSA-N 0 0 486.642 4.512 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545971145 1066525429 /nfs/dbraw/zinc/52/54/29/1066525429.db2.gz SHVAYTUNTWNKTO-WOJBJXKFSA-N 0 0 487.645 4.508 20 0 JJADRN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001444979423 1066525456 /nfs/dbraw/zinc/52/54/56/1066525456.db2.gz ZHGFQCNWOKFOSY-DEOSSOPVSA-N 0 0 459.571 4.616 20 0 JJADRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001444976892 1066525496 /nfs/dbraw/zinc/52/54/96/1066525496.db2.gz VQHNIFPTIIRCLW-IFXJQAMLSA-N 0 0 452.979 4.779 20 0 JJADRN Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001444982935 1066525971 /nfs/dbraw/zinc/52/59/71/1066525971.db2.gz GVJMEGCLMRTDMV-UHFFFAOYSA-N 0 0 452.532 4.518 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(F)c2)o1 ZINC001361198102 1066526292 /nfs/dbraw/zinc/52/62/92/1066526292.db2.gz IZAZHLHYAHDXFG-HNNXBMFYSA-N 0 0 480.462 4.801 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)C2)c1 ZINC001444987499 1066526390 /nfs/dbraw/zinc/52/63/90/1066526390.db2.gz NUBAUPDOMQPZOA-HXUWFJFHSA-N 0 0 451.567 4.762 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)C2)c1 ZINC001444987493 1066526412 /nfs/dbraw/zinc/52/64/12/1066526412.db2.gz NUBAUPDOMQPZOA-FQEVSTJZSA-N 0 0 451.567 4.762 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C12CCCCC2 ZINC001444987973 1066526526 /nfs/dbraw/zinc/52/65/26/1066526526.db2.gz AEXRRZOIKLDIAL-AABGKKOBSA-N 0 0 452.636 4.725 20 0 JJADRN CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986020 1066526539 /nfs/dbraw/zinc/52/65/39/1066526539.db2.gz LCGTZQNLBIMCSX-KSSFIOAISA-N 0 0 451.386 4.511 20 0 JJADRN O=C(Cc1ccc(I)cc1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001456162947 1066526761 /nfs/dbraw/zinc/52/67/61/1066526761.db2.gz IOUJCTFIMVMATP-NRFANRHFSA-N 0 0 457.311 4.770 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(Br)sc1Br ZINC001456168625 1066527507 /nfs/dbraw/zinc/52/75/07/1066527507.db2.gz BJAGTCIOHKWOLY-UHFFFAOYSA-N 0 0 459.188 4.968 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)n2)cc1 ZINC001456169247 1066527597 /nfs/dbraw/zinc/52/75/97/1066527597.db2.gz JNVKXUSVTXVJFZ-HSZRJFAPSA-N 0 0 454.958 4.526 20 0 JJADRN COc1ccc2c(c1)N(C(=O)CCc1ncc(-c3ccccc3Br)o1)C[C@H](C)O2 ZINC001361199014 1066527663 /nfs/dbraw/zinc/52/76/63/1066527663.db2.gz JSYPWDCBPGYVRI-AWEZNQCLSA-N 0 0 457.324 4.859 20 0 JJADRN COc1ccc2c(c1)N(C(=O)CCc1ncc(-c3ccccc3Br)o1)C[C@@H](C)O2 ZINC001361199015 1066527709 /nfs/dbraw/zinc/52/77/09/1066527709.db2.gz JSYPWDCBPGYVRI-CQSZACIVSA-N 0 0 457.324 4.859 20 0 JJADRN Cc1c(NC(=O)c2cnc(C3(C)OCCO3)s2)cc(Br)cc1C(F)(F)F ZINC001456170795 1066527932 /nfs/dbraw/zinc/52/79/32/1066527932.db2.gz VCNPJQASLYRFAL-UHFFFAOYSA-N 0 0 451.264 4.705 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@@H]2CCCOC2)o1 ZINC001361199208 1066527982 /nfs/dbraw/zinc/52/79/82/1066527982.db2.gz ANQPGLPMEJTSQN-ZDUSSCGKSA-N 0 0 452.399 4.594 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H](C)Cc2cccs2)o1 ZINC001361199487 1066528120 /nfs/dbraw/zinc/52/81/20/1066528120.db2.gz FDUQIGSDKIIDAS-HNNXBMFYSA-N 0 0 495.571 4.682 20 0 JJADRN CCOc1ccc(OC)cc1NC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001456172382 1066528568 /nfs/dbraw/zinc/52/85/68/1066528568.db2.gz YPUHDPSHIAFYBO-UHFFFAOYSA-N 0 0 450.461 4.928 20 0 JJADRN O=C(c1scc(Br)c1Br)N1CC(Cc2c(F)cccc2F)C1 ZINC001444997807 1066528552 /nfs/dbraw/zinc/52/85/52/1066528552.db2.gz IHZFGAZUASNGDO-UHFFFAOYSA-N 0 0 451.130 4.866 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000483 1066528874 /nfs/dbraw/zinc/52/88/74/1066528874.db2.gz MUSXTOBGCLRFIY-GOTSBHOMSA-N 0 0 456.608 4.687 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)Sc3ccccc3)cc2)ccc1F ZINC001445000049 1066528901 /nfs/dbraw/zinc/52/89/01/1066528901.db2.gz RMFZAQDPUMYHKM-QGZVFWFLSA-N 0 0 458.580 4.846 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@@H](C)CSc1ccccc1OC ZINC001456175533 1066528862 /nfs/dbraw/zinc/52/88/62/1066528862.db2.gz VMPPMUOJWOMFMO-MRXNPFEDSA-N 0 0 455.576 4.596 20 0 JJADRN CC(C)c1nc2ccccn2c1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001456175557 1066529012 /nfs/dbraw/zinc/52/90/12/1066529012.db2.gz DSDVBBWFTMDECJ-UHFFFAOYSA-N 0 0 459.731 4.967 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCN(C)c2ccccc2)o1 ZINC001361199800 1066528902 /nfs/dbraw/zinc/52/89/02/1066528902.db2.gz IWJXLVLAFOSDBB-SFTDATJTSA-N 0 0 494.640 4.722 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)o1 ZINC001361199899 1066528953 /nfs/dbraw/zinc/52/89/53/1066528953.db2.gz KGFTWXVJWSTDCH-QZTJIDSGSA-N 0 0 455.559 4.536 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC2CC(F)(F)C2)o1 ZINC001361199907 1066529046 /nfs/dbraw/zinc/52/90/46/1066529046.db2.gz KJPVZNDLENHEJT-WBVHZDCISA-N 0 0 465.545 4.631 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCN(C)c2ccccc2)o1 ZINC001361199798 1066529072 /nfs/dbraw/zinc/52/90/72/1066529072.db2.gz IWJXLVLAFOSDBB-NHCUHLMSSA-N 0 0 494.640 4.722 20 0 JJADRN O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(=O)N1CC(Cc2c(F)cccc2F)C1 ZINC001445002922 1066529094 /nfs/dbraw/zinc/52/90/94/1066529094.db2.gz WVWRUOODHVWTDN-HXUWFJFHSA-N 0 0 453.316 4.577 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2cccc(N(C)C)c2)o1 ZINC001361200139 1066529936 /nfs/dbraw/zinc/52/99/36/1066529936.db2.gz OGTMCDRKLJGACX-TZIWHRDSSA-N 0 0 494.640 4.700 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@H](C)c3sc(C)nc3C)cc2)c1 ZINC001456178282 1066530055 /nfs/dbraw/zinc/53/00/55/1066530055.db2.gz NRBMPKCOLSJGPS-MRXNPFEDSA-N 0 0 453.564 4.619 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)OC ZINC001545971470 1066530089 /nfs/dbraw/zinc/53/00/89/1066530089.db2.gz YGYMWQNACYPWBN-IBGZPJMESA-N 0 0 494.949 4.764 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)Cc1c(C)noc1C)NC(=O)OC(C)(C)C ZINC001545971424 1066530150 /nfs/dbraw/zinc/53/01/50/1066530150.db2.gz XKEOARZNOMKBMX-KRWDZBQOSA-N 0 0 472.565 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001445025516 1066530561 /nfs/dbraw/zinc/53/05/61/1066530561.db2.gz GQDOPQRJQKNHTN-RRFJBIMHSA-N 0 0 463.294 4.909 20 0 JJADRN CSc1cccc([C@H](NC(=O)CNC(=O)OCc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC001445026654 1066530639 /nfs/dbraw/zinc/53/06/39/1066530639.db2.gz GPFGSEYHSFBKIU-QHCPKHFHSA-N 0 0 456.514 4.819 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1nc2ccccc2n1CCC(C)C)c1cccc(Br)c1 ZINC001361200569 1066530900 /nfs/dbraw/zinc/53/09/00/1066530900.db2.gz AFRVRRDBTQDPFY-HXUWFJFHSA-N 0 0 457.372 4.661 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)o1 ZINC001361201507 1066531360 /nfs/dbraw/zinc/53/13/60/1066531360.db2.gz CIDSCAXOOBDZSH-MOPGFXCFSA-N 0 0 473.618 4.545 20 0 JJADRN Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cnn1-c1ccc(F)cc1F ZINC001456180593 1066531405 /nfs/dbraw/zinc/53/14/05/1066531405.db2.gz SXIHGADPMDGFNN-UHFFFAOYSA-N 0 0 458.896 4.991 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCOc1ccc(F)c(F)c1 ZINC001456180547 1066531511 /nfs/dbraw/zinc/53/15/11/1066531511.db2.gz PWXWJMZELYVPGK-UHFFFAOYSA-N 0 0 451.267 4.754 20 0 JJADRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC001456181128 1066531526 /nfs/dbraw/zinc/53/15/26/1066531526.db2.gz VRZYBLUKCMFXEY-RTBURBONSA-N 0 0 454.567 4.903 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2ncccc2N(C)C)cc1Br ZINC001361201651 1066531505 /nfs/dbraw/zinc/53/15/05/1066531505.db2.gz GZPUGMOUOMWAEY-RDJZCZTQSA-N 0 0 469.431 4.760 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)CCc2ccccc2C)CC1 ZINC001445038126 1066531525 /nfs/dbraw/zinc/53/15/25/1066531525.db2.gz NMDJOICWKGBKSU-UHFFFAOYSA-N 0 0 450.604 4.663 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)Oc1cccc(Br)c1 ZINC001445035294 1066531546 /nfs/dbraw/zinc/53/15/46/1066531546.db2.gz SKNOKDHWAZFVGM-INIZCTEOSA-N 0 0 450.336 4.985 20 0 JJADRN CSc1cccc([C@H](NC(=O)CCN2CSCCSC2)c2ccc(F)c(F)c2)c1 ZINC001445037141 1066531592 /nfs/dbraw/zinc/53/15/92/1066531592.db2.gz QJULCUGKGQLSKO-NRFANRHFSA-N 0 0 454.633 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(c4ccccc4CO)CC3)n2CCCCOC(C)C)o1 ZINC001361202088 1066531929 /nfs/dbraw/zinc/53/19/29/1066531929.db2.gz LDTSTVHZURQLER-UHFFFAOYSA-N 0 0 452.599 4.928 20 0 JJADRN CN(CCc1ccccc1C(=O)Nc1nc(Cc2ccccc2)ns1)C(=O)OC(C)(C)C ZINC001456182711 1066531984 /nfs/dbraw/zinc/53/19/84/1066531984.db2.gz ZOLCEUJKYZSECI-UHFFFAOYSA-N 0 0 452.580 4.791 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(=O)c2ccc(Br)s2)o1 ZINC001361202580 1066532411 /nfs/dbraw/zinc/53/24/11/1066532411.db2.gz JZAFSWYZLREUIA-HIFRSBDPSA-N 0 0 453.402 4.738 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC001456186267 1066532414 /nfs/dbraw/zinc/53/24/14/1066532414.db2.gz UVBGHRWQFVXJLR-UHFFFAOYSA-N 0 0 455.558 4.866 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)C[C@@H](C)S1 ZINC001445041778 1066532417 /nfs/dbraw/zinc/53/24/17/1066532417.db2.gz BNLKZVBCHOCCRP-NXEZZACHSA-N 0 0 454.852 4.541 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc3c(Cl)cccc3nc2C)C1 ZINC001445041251 1066532564 /nfs/dbraw/zinc/53/25/64/1066532564.db2.gz SNORCLZLHGGFAL-HNNXBMFYSA-N 0 0 455.908 4.850 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361202961 1066532846 /nfs/dbraw/zinc/53/28/46/1066532846.db2.gz VYXURIXNVPNWAO-CVEARBPZSA-N 0 0 463.504 4.908 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c1 ZINC001456188014 1066532898 /nfs/dbraw/zinc/53/28/98/1066532898.db2.gz MEKPAHOTAQNZPY-UHFFFAOYSA-N 0 0 458.561 4.504 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C(=O)N1c1ccccc1 ZINC001361203017 1066532901 /nfs/dbraw/zinc/53/29/01/1066532901.db2.gz NSXQPDZVSZZLFO-FOIQADDNSA-N 0 0 455.436 4.817 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2c(Cl)cccc2Br)c1 ZINC001456187965 1066533069 /nfs/dbraw/zinc/53/30/69/1066533069.db2.gz LGIFOBYBJSXJSA-UHFFFAOYSA-N 0 0 458.805 4.997 20 0 JJADRN COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC001456188682 1066533080 /nfs/dbraw/zinc/53/30/80/1066533080.db2.gz PYUCIKJEJGIBKW-PMACEKPBSA-N 0 0 450.938 4.533 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)cs1 ZINC001445047103 1066533180 /nfs/dbraw/zinc/53/31/80/1066533180.db2.gz GONBBTNSYPHGJL-HZPDHXFCSA-N 0 0 454.061 4.719 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](c4ccco4)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC001361203085 1066533262 /nfs/dbraw/zinc/53/32/62/1066533262.db2.gz WUBQZYDNWJFVHE-RBUKOAKNSA-N 0 0 469.586 4.983 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)C4(CCC4)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361203318 1066533318 /nfs/dbraw/zinc/53/33/18/1066533318.db2.gz ZKFJXROPFQYCPY-SFHVURJKSA-N 0 0 488.474 4.805 20 0 JJADRN CCCO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001456189045 1066533445 /nfs/dbraw/zinc/53/34/45/1066533445.db2.gz UZFLXVRDGLUJJK-JBYIUTFZSA-N 0 0 452.998 4.975 20 0 JJADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445049725 1066533685 /nfs/dbraw/zinc/53/36/85/1066533685.db2.gz CEXMRWMHWLZVJU-RDTXWAMCSA-N 0 0 459.450 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)o1 ZINC001361203903 1066533693 /nfs/dbraw/zinc/53/36/93/1066533693.db2.gz FJAGBCWHBVJEBV-UHFFFAOYSA-N 0 0 485.629 4.667 20 0 JJADRN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC001445049722 1066533827 /nfs/dbraw/zinc/53/38/27/1066533827.db2.gz CEXMRWMHWLZVJU-KDOFPFPSSA-N 0 0 459.450 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)o1 ZINC001361204077 1066534073 /nfs/dbraw/zinc/53/40/73/1066534073.db2.gz KZGBACVKCPYGMC-SFHVURJKSA-N 0 0 486.642 4.661 20 0 JJADRN CCOc1c(F)cccc1C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@H](C)CC ZINC001456194975 1066534317 /nfs/dbraw/zinc/53/43/17/1066534317.db2.gz OIYHCAAMNQFIJM-NTKDMRAZSA-N 0 0 454.586 4.850 20 0 JJADRN CC(C)C[C@@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001445054667 1066534434 /nfs/dbraw/zinc/53/44/34/1066534434.db2.gz OBQFHHAARPGCPZ-KRWDZBQOSA-N 0 0 459.384 4.975 20 0 JJADRN COc1ccc(CN2CC[C@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196963 1066534807 /nfs/dbraw/zinc/53/48/07/1066534807.db2.gz OSYRHGPNMVXDGU-SFHVURJKSA-N 0 0 458.183 4.655 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C(C)C)cc1 ZINC001445060103 1066535717 /nfs/dbraw/zinc/53/57/17/1066535717.db2.gz ZRAKSLNOPAXCAO-OAQYLSRUSA-N 0 0 451.592 4.960 20 0 JJADRN Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001445062150 1066535857 /nfs/dbraw/zinc/53/58/57/1066535857.db2.gz OBPBGMWKXJVKIO-UHFFFAOYSA-N 0 0 457.918 4.538 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)N[C@H]3CC[C@H](C)CC3)[C@H]2c2ccccc2OC)cc1 ZINC001456200924 1066536458 /nfs/dbraw/zinc/53/64/58/1066536458.db2.gz VFKIMPZJYOZBTG-SMSYUXSASA-N 0 0 450.579 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2ccc(F)cc2)o1 ZINC001361205710 1066537345 /nfs/dbraw/zinc/53/73/45/1066537345.db2.gz QIQXUXPSXCTSFE-MOPGFXCFSA-N 0 0 499.587 4.804 20 0 JJADRN CS[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001445081485 1066537570 /nfs/dbraw/zinc/53/75/70/1066537570.db2.gz NJUWUVNERAJBEN-JKSUJKDBSA-N 0 0 456.992 4.602 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)C1=O ZINC001445086014 1066537972 /nfs/dbraw/zinc/53/79/72/1066537972.db2.gz XLYYYUVYVWCELI-SFHVURJKSA-N 0 0 456.951 4.644 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 ZINC001361206296 1066538335 /nfs/dbraw/zinc/53/83/35/1066538335.db2.gz IZOXTXKXSLRGHY-UHFFFAOYSA-N 0 0 458.967 4.686 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCSC2)o1 ZINC001361205977 1066538380 /nfs/dbraw/zinc/53/83/80/1066538380.db2.gz ZOOLHAFJZOUHMV-IBGZPJMESA-N 0 0 475.659 4.731 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)o1 ZINC001361206332 1066538456 /nfs/dbraw/zinc/53/84/56/1066538456.db2.gz KCRKWHROBMNMMG-YRNRMSPPSA-N 0 0 459.384 4.957 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)C1 ZINC001456212750 1066538565 /nfs/dbraw/zinc/53/85/65/1066538565.db2.gz MWFMXANNMXAAJE-CALCHBBNSA-N 0 0 458.352 4.932 20 0 JJADRN COc1ccc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1Br ZINC001456215807 1066539084 /nfs/dbraw/zinc/53/90/84/1066539084.db2.gz BTGVAXRFYDWXKA-UHFFFAOYSA-N 0 0 453.377 4.824 20 0 JJADRN Cc1cc(F)cc2c1N(C(=O)CCCOc1ccc(I)cc1)CCC2 ZINC001456215379 1066539152 /nfs/dbraw/zinc/53/91/52/1066539152.db2.gz QJFUMFAGAAQRFZ-UHFFFAOYSA-N 0 0 453.295 4.877 20 0 JJADRN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001445097350 1066539252 /nfs/dbraw/zinc/53/92/52/1066539252.db2.gz VYVCWVVMLNQEPH-KRWDZBQOSA-N 0 0 452.407 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2cccnc2)C(C)C)o1 ZINC001361207015 1066539213 /nfs/dbraw/zinc/53/92/13/1066539213.db2.gz FVVYHPAGKHYQHC-SFTDATJTSA-N 0 0 480.613 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Nc4ccccc4Cl)CC3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361207217 1066539781 /nfs/dbraw/zinc/53/97/81/1066539781.db2.gz NCOZGYCZRJYKJV-UHFFFAOYSA-N 0 0 485.032 4.886 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCOc2ncccc2F)cc1Br ZINC001361207380 1066540071 /nfs/dbraw/zinc/54/00/71/1066540071.db2.gz SFHSSHKUCASLFW-UHFFFAOYSA-N 0 0 496.331 4.865 20 0 JJADRN C[C@@H](O)c1ccc(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001445131869 1066540032 /nfs/dbraw/zinc/54/00/32/1066540032.db2.gz XUNKTNIBMNCZLL-LJQANCHMSA-N 0 0 458.558 4.627 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(N(C)c4ccccc4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001361207292 1066540141 /nfs/dbraw/zinc/54/01/41/1066540141.db2.gz PCRXMFIEMIRXKJ-LJQANCHMSA-N 0 0 494.640 4.865 20 0 JJADRN COc1cccc(C2(CNC(=O)[C@H](C)SCc3nc4ccccc4c(=O)[nH]3)CCCC2)c1 ZINC001456222274 1066540496 /nfs/dbraw/zinc/54/04/96/1066540496.db2.gz GWRKYURAXURHLG-KRWDZBQOSA-N 0 0 451.592 4.594 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCOc2c(C)cccc2C)o1 ZINC001361207693 1066540883 /nfs/dbraw/zinc/54/08/83/1066540883.db2.gz XISJWTVSZCWYEP-NRFANRHFSA-N 0 0 495.624 4.988 20 0 JJADRN CCCCCOC1CN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445162478 1066541235 /nfs/dbraw/zinc/54/12/35/1066541235.db2.gz CWQSFMPSLYZQQI-UHFFFAOYSA-N 0 0 450.579 4.675 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCS[C@H](C(C)C)C1)Oc1ccccc1F ZINC001545972367 1066541273 /nfs/dbraw/zinc/54/12/73/1066541273.db2.gz DYNIDEWSVDUCIH-AVRDEDQJSA-N 0 0 457.619 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@](O)(Cc4cccc(Cl)c4)C3)n2CCCOC(F)(F)F)o1 ZINC001361208567 1066541216 /nfs/dbraw/zinc/54/12/16/1066541216.db2.gz BIVCYSHVVMRNOT-NRFANRHFSA-N 0 0 484.906 4.610 20 0 JJADRN CCC(CC)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC001361208392 1066541282 /nfs/dbraw/zinc/54/12/82/1066541282.db2.gz RSFOQHWPBVDNKX-UHFFFAOYSA-N 0 0 458.624 4.733 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(c4c(F)cccc4F)CC3)n2CCSC(F)(F)F)o1 ZINC001361208955 1066541419 /nfs/dbraw/zinc/54/14/19/1066541419.db2.gz IANCTSPAYBCDPW-UHFFFAOYSA-N 0 0 488.482 4.866 20 0 JJADRN CCCCCOC1CN(C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001445165353 1066541655 /nfs/dbraw/zinc/54/16/55/1066541655.db2.gz KNZFFQWBVKWQNI-LJQANCHMSA-N 0 0 450.579 4.579 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCC1CCOCC1)Oc1ccccc1F ZINC001545972387 1066541866 /nfs/dbraw/zinc/54/18/66/1066541866.db2.gz FGACMXVJMACAII-NRFANRHFSA-N 0 0 453.562 4.590 20 0 JJADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001456236385 1066541833 /nfs/dbraw/zinc/54/18/33/1066541833.db2.gz FCKYTECKOUMWTP-UNMCSNQZSA-N 0 0 452.352 4.861 20 0 JJADRN CCOC(=O)[C@H](C)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC001445165399 1066541946 /nfs/dbraw/zinc/54/19/46/1066541946.db2.gz ZQUVLRRBYKDRMH-LLVKDONJSA-N 0 0 454.379 4.690 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC001456238840 1066542203 /nfs/dbraw/zinc/54/22/03/1066542203.db2.gz DRBMIBWYDIKYAA-ZJSXRUAMSA-N 0 0 452.530 4.624 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445166270 1066542369 /nfs/dbraw/zinc/54/23/69/1066542369.db2.gz RPFNKWZNLGIUNW-MSOLQXFVSA-N 0 0 450.560 4.612 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001456238364 1066542323 /nfs/dbraw/zinc/54/23/23/1066542323.db2.gz CYWYIYJAVXDFTA-RPBOFIJWSA-N 0 0 456.558 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361209478 1066542752 /nfs/dbraw/zinc/54/27/52/1066542752.db2.gz YROIGHHEVBBPKV-FQEVSTJZSA-N 0 0 487.645 4.887 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC001445171647 1066542926 /nfs/dbraw/zinc/54/29/26/1066542926.db2.gz DTYYVELJVWOBLZ-UHFFFAOYSA-N 0 0 454.442 4.948 20 0 JJADRN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456241253 1066543229 /nfs/dbraw/zinc/54/32/29/1066543229.db2.gz AMXAIZSJXXLDEM-CZUORRHYSA-N 0 0 452.338 4.553 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC001456241172 1066543235 /nfs/dbraw/zinc/54/32/35/1066543235.db2.gz KBEUMFVEWJFMFK-TWJOJJKGSA-N 0 0 452.595 4.858 20 0 JJADRN CCc1ccc([C@@H](C)CC(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001445176400 1066543406 /nfs/dbraw/zinc/54/34/06/1066543406.db2.gz UDFCVSSMXAVBDR-IBGZPJMESA-N 0 0 452.624 4.631 20 0 JJADRN COc1ccc(Cl)cc1N(C)C(=O)CCCOc1ccc(I)cc1 ZINC001456242955 1066543760 /nfs/dbraw/zinc/54/37/60/1066543760.db2.gz IMYLDTYZAPQWQF-UHFFFAOYSA-N 0 0 459.711 4.775 20 0 JJADRN CC(C)n1cc([C@@H](C)NC(=O)C[C@H](C)CCc2ccc(I)cc2)cn1 ZINC001456241872 1066543799 /nfs/dbraw/zinc/54/37/99/1066543799.db2.gz MARCJHZLXXGICY-HZPDHXFCSA-N 0 0 453.368 4.905 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361210169 1066543832 /nfs/dbraw/zinc/54/38/32/1066543832.db2.gz CNBAVJDTHMYDGG-HRAATJIYSA-N 0 0 452.477 4.743 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001445182531 1066543891 /nfs/dbraw/zinc/54/38/91/1066543891.db2.gz IOIFRXDETMJGLU-LEWJYISDSA-N 0 0 450.608 4.717 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001456244507 1066544077 /nfs/dbraw/zinc/54/40/77/1066544077.db2.gz KFPIELIMINPNJR-FGZHOGPDSA-N 0 0 451.485 4.993 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2nn(CC)cc2Br)cc1 ZINC001456244055 1066544112 /nfs/dbraw/zinc/54/41/12/1066544112.db2.gz NJMMNVZQCQFOJW-RTBURBONSA-N 0 0 450.377 4.574 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001445190956 1066544437 /nfs/dbraw/zinc/54/44/37/1066544437.db2.gz YIDHXWILTAEWCB-FQEVSTJZSA-N 0 0 459.468 4.839 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(COc4ccc(C)cc4C)o3)C2)c1 ZINC001361210991 1066544620 /nfs/dbraw/zinc/54/46/20/1066544620.db2.gz FBCWNKPSYLSFDD-LJQANCHMSA-N 0 0 450.535 4.501 20 0 JJADRN Cc1ccc(-c2nnc(N3CCc4oncc4C3)n2CCSCC(C)C)cc1Br ZINC001361210896 1066544655 /nfs/dbraw/zinc/54/46/55/1066544655.db2.gz UWYQTNCTUHIOCH-UHFFFAOYSA-N 0 0 476.444 4.956 20 0 JJADRN CCn1c(SCC(=O)N2CCCC[C@@H]2c2noc(C(C)C)n2)nnc1-c1ccccc1C ZINC001445192268 1066544657 /nfs/dbraw/zinc/54/46/57/1066544657.db2.gz UDPJLPAXSCDDKL-GOSISDBHSA-N 0 0 454.600 4.626 20 0 JJADRN CC(=O)NCc1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 ZINC001456245984 1066544706 /nfs/dbraw/zinc/54/47/06/1066544706.db2.gz BHEGJLRYDNXEIB-UHFFFAOYSA-N 0 0 453.336 4.917 20 0 JJADRN CCn1c(SCC(=O)N2CCCC[C@H]2c2noc(C(C)C)n2)nnc1-c1ccccc1C ZINC001445192285 1066544814 /nfs/dbraw/zinc/54/48/14/1066544814.db2.gz UDPJLPAXSCDDKL-SFHVURJKSA-N 0 0 454.600 4.626 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545972557 1066544856 /nfs/dbraw/zinc/54/48/56/1066544856.db2.gz IFBHMMZCDDTAMW-FYYLOGMGSA-N 0 0 492.624 4.691 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1cc(Br)nc(Br)c1 ZINC001361211535 1066545051 /nfs/dbraw/zinc/54/50/51/1066545051.db2.gz RRMKNAGOLKSEST-UHFFFAOYSA-N 0 0 455.024 4.862 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2)cs1 ZINC001445213734 1066545251 /nfs/dbraw/zinc/54/52/51/1066545251.db2.gz LOCQWKVHYJHPLV-INIZCTEOSA-N 0 0 455.546 4.536 20 0 JJADRN CC(C)Nc1ccc(Br)cc1NC(=O)c1cccn2ncc(Br)c12 ZINC001445211861 1066545313 /nfs/dbraw/zinc/54/53/13/1066545313.db2.gz CFLMOLBYEGYXKA-UHFFFAOYSA-N 0 0 452.150 4.932 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1Br ZINC001361211812 1066545454 /nfs/dbraw/zinc/54/54/54/1066545454.db2.gz AZAYCRHSXCFYDW-QFBILLFUSA-N 0 0 495.487 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1Br ZINC001361211811 1066545473 /nfs/dbraw/zinc/54/54/73/1066545473.db2.gz AZAYCRHSXCFYDW-LPHOPBHVSA-N 0 0 495.487 4.610 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)NCc2cccc(OC)c2OC2CCCC2)[C@H]1c1cccc(C)c1 ZINC001456247349 1066545677 /nfs/dbraw/zinc/54/56/77/1066545677.db2.gz USUXESCGCMAQQR-RCZVLFRGSA-N 0 0 450.579 4.551 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C ZINC001456247988 1066545685 /nfs/dbraw/zinc/54/56/85/1066545685.db2.gz DHOPCFWCRUAGPT-KBPBESRZSA-N 0 0 458.475 4.571 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cs1 ZINC001445214973 1066545748 /nfs/dbraw/zinc/54/57/48/1066545748.db2.gz OFQFPBHLULJKAG-IBGZPJMESA-N 0 0 453.608 4.507 20 0 JJADRN O=C(NCCc1ccc(OC(=O)c2cnnc(-c3ccccc3)c2)cc1)c1ccc(Cl)cc1 ZINC001456250150 1066546042 /nfs/dbraw/zinc/54/60/42/1066546042.db2.gz WVNYACJOFHAIKK-UHFFFAOYSA-N 0 0 457.917 4.989 20 0 JJADRN O=C(Nc1cc(Br)ccc1NC1CC1)[C@H]1COc2ccc(Br)cc21 ZINC001445216461 1066546132 /nfs/dbraw/zinc/54/61/32/1066546132.db2.gz LQKBZGRJCJDOFD-AWEZNQCLSA-N 0 0 452.146 4.901 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)C(C)(C)Cc3ccc(Cl)cc3)CC2)cs1 ZINC001445216379 1066546195 /nfs/dbraw/zinc/54/61/95/1066546195.db2.gz PUZIVRMDXMWYON-KRWDZBQOSA-N 0 0 450.048 4.807 20 0 JJADRN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001456250190 1066546155 /nfs/dbraw/zinc/54/61/55/1066546155.db2.gz YZOYXXGAKMSJFZ-QFIPXVFZSA-N 0 0 455.482 4.709 20 0 JJADRN Cc1nnc(COCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC001456249429 1066546213 /nfs/dbraw/zinc/54/62/13/1066546213.db2.gz PQRQJGGCFKRUNV-UHFFFAOYSA-N 0 0 451.335 4.561 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361212047 1066546388 /nfs/dbraw/zinc/54/63/88/1066546388.db2.gz GFARVPNYLQMTRM-SFHVURJKSA-N 0 0 477.556 4.895 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC001456251421 1066546666 /nfs/dbraw/zinc/54/66/66/1066546666.db2.gz WGPNYBITPPEVOU-NHCUHLMSSA-N 0 0 458.990 4.639 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1F ZINC001445221414 1066546660 /nfs/dbraw/zinc/54/66/60/1066546660.db2.gz LUOUXUOKICGSLE-KRWDZBQOSA-N 0 0 456.539 4.743 20 0 JJADRN CC(C)Cn1nc(C(=O)Nc2cc(Br)ccc2NC2CC2)c2ccccc2c1=O ZINC001445219689 1066546676 /nfs/dbraw/zinc/54/66/76/1066546676.db2.gz UUZXETVTRMAPRR-UHFFFAOYSA-N 0 0 455.356 4.642 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC001456251504 1066547105 /nfs/dbraw/zinc/54/71/05/1066547105.db2.gz WIXUKBQOIAMBHY-SFTDATJTSA-N 0 0 454.596 4.761 20 0 JJADRN CSc1ccc(N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC001456254236 1066547558 /nfs/dbraw/zinc/54/75/58/1066547558.db2.gz OVOAIYXWIQKTHT-QGZVFWFLSA-N 0 0 452.363 4.583 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229887 1066547679 /nfs/dbraw/zinc/54/76/79/1066547679.db2.gz DAEIFOOUIRXUCN-SGFSRBQDSA-N 0 0 457.423 4.621 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCC2)Nc1cc(F)c(F)cc1I ZINC001361213590 1066548204 /nfs/dbraw/zinc/54/82/04/1066548204.db2.gz VGNQVNUSSKGWBK-UHFFFAOYSA-N 0 0 457.258 4.856 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001456256570 1066548277 /nfs/dbraw/zinc/54/82/77/1066548277.db2.gz WSHFQYVHFXHECJ-HSZRJFAPSA-N 0 0 457.039 4.828 20 0 JJADRN O=C(NCCCC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)NC1CCCCC1 ZINC001445236682 1066548377 /nfs/dbraw/zinc/54/83/77/1066548377.db2.gz YQZWTTDXJHZELG-SFHVURJKSA-N 0 0 456.414 4.775 20 0 JJADRN CC(C)[C@H](C(=O)Nc1cccc(CSC2CCOCC2)c1)n1nnc(-c2ccccc2)n1 ZINC001456258466 1066548391 /nfs/dbraw/zinc/54/83/91/1066548391.db2.gz WUIXGSHKKSDCOF-JOCHJYFZSA-N 0 0 451.596 4.588 20 0 JJADRN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1ccccc1OCc1cccc(Br)c1 ZINC001456259194 1066548462 /nfs/dbraw/zinc/54/84/62/1066548462.db2.gz JUDLFNSNLUFZMM-GGAORHGYSA-N 0 0 452.348 4.806 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2Cc2ccc(OCC(C)C)cc2)o1 ZINC001361213828 1066548772 /nfs/dbraw/zinc/54/87/72/1066548772.db2.gz BLSCZZJOJIWFDJ-QFIPXVFZSA-N 0 0 479.625 4.671 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)NCC2(C(C)C)CC2)n1-c1ccccc1 ZINC001445258170 1066549585 /nfs/dbraw/zinc/54/95/85/1066549585.db2.gz HOUXHEFIJWVWBR-UHFFFAOYSA-N 0 0 450.608 4.799 20 0 JJADRN COCCc1nc2cc(NC(=O)c3cn(-c4ccc(Br)cc4)nc3C)ccc2o1 ZINC001445261777 1066549614 /nfs/dbraw/zinc/54/96/14/1066549614.db2.gz MQTQFQUQGWMGNU-UHFFFAOYSA-N 0 0 455.312 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC(F)(F)c2ccccc2)o1 ZINC001361214088 1066549663 /nfs/dbraw/zinc/54/96/63/1066549663.db2.gz IFXQSHAMSBZFSP-LJQANCHMSA-N 0 0 471.552 4.770 20 0 JJADRN Cc1ccc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC001456266508 1066549772 /nfs/dbraw/zinc/54/97/72/1066549772.db2.gz BJMFVBNMRHIQQN-VWLOTQADSA-N 0 0 455.530 4.669 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)c2cnn(C)c2n1 ZINC001456266302 1066549790 /nfs/dbraw/zinc/54/97/90/1066549790.db2.gz AHHJQAUWZLXEQQ-UHFFFAOYSA-N 0 0 451.324 4.762 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001445268429 1066550086 /nfs/dbraw/zinc/55/00/86/1066550086.db2.gz FTMVKFHIAMNBJC-UHFFFAOYSA-N 0 0 450.649 4.771 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)COCc2ccccc2)o1 ZINC001361214388 1066550133 /nfs/dbraw/zinc/55/01/33/1066550133.db2.gz OHGPGANYGVGVJX-NFBKMPQASA-N 0 0 493.652 4.831 20 0 JJADRN O=C(CCCOc1ccccc1Br)N(CC(=O)N1CCCCC1)c1ccccc1 ZINC001456266895 1066550197 /nfs/dbraw/zinc/55/01/97/1066550197.db2.gz JIXPRWBEVHFXNF-UHFFFAOYSA-N 0 0 459.384 4.654 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(I)cc2Cl)cc1OC ZINC001456267193 1066550271 /nfs/dbraw/zinc/55/02/71/1066550271.db2.gz KXOHXDVWGUYYFG-NSHDSACASA-N 0 0 459.711 4.761 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c(C)c1 ZINC001456268825 1066550303 /nfs/dbraw/zinc/55/03/03/1066550303.db2.gz PXKSDUYQBKWZEX-KRWDZBQOSA-N 0 0 453.539 4.832 20 0 JJADRN CO[C@@H](C)c1nc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cs1 ZINC001445266548 1066550232 /nfs/dbraw/zinc/55/02/32/1066550232.db2.gz CUYSMXLJWQHVRJ-ZDUSSCGKSA-N 0 0 453.395 4.819 20 0 JJADRN CCN(C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC001445269702 1066550757 /nfs/dbraw/zinc/55/07/57/1066550757.db2.gz HOPCYGFCPFBBBG-UHFFFAOYSA-N 0 0 452.595 4.777 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[C@@](C)(O)c2ccccc2)o1 ZINC001361214595 1066550810 /nfs/dbraw/zinc/55/08/10/1066550810.db2.gz SKUSJUGFZAURFX-AUSIDOKSSA-N 0 0 478.515 4.692 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@H](C)c1nc(-c3ccc(Cl)cc3)no1)O2 ZINC001456269181 1066550861 /nfs/dbraw/zinc/55/08/61/1066550861.db2.gz NNVIBSZRJIUUGS-OYLFLEFRSA-N 0 0 455.942 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2CCOC(C)C)cc1Br ZINC001361214660 1066551129 /nfs/dbraw/zinc/55/11/29/1066551129.db2.gz UPCHWKSNSWZSIC-FQEVSTJZSA-N 0 0 477.447 4.836 20 0 JJADRN C[C@H](NC(=O)c1cc(Cl)cc(Br)c1N)c1nc(-c2ccc(Cl)cc2)no1 ZINC001456270374 1066551182 /nfs/dbraw/zinc/55/11/82/1066551182.db2.gz PNRVRULVMWJROJ-QMMMGPOBSA-N 0 0 456.127 4.879 20 0 JJADRN Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)cc1NC(=O)C(C)(C)C ZINC001456270985 1066551237 /nfs/dbraw/zinc/55/12/37/1066551237.db2.gz QRUGIPQLEKQMMO-UHFFFAOYSA-N 0 0 456.344 4.575 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001456270982 1066551255 /nfs/dbraw/zinc/55/12/55/1066551255.db2.gz QRCLBAOAGQLOLH-FGZHOGPDSA-N 0 0 471.525 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C3)n2CC(C)C)o1 ZINC001361214750 1066551666 /nfs/dbraw/zinc/55/16/66/1066551666.db2.gz WMDHXYHABCSXQG-KRWDZBQOSA-N 0 0 467.561 4.974 20 0 JJADRN CO[C@@H](C)c1nc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cs1 ZINC001445275516 1066551763 /nfs/dbraw/zinc/55/17/63/1066551763.db2.gz RZJXJRKWPIQEMS-NSHDSACASA-N 0 0 455.367 4.846 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1cccc2[nH]c(C(F)F)nc21 ZINC001456271292 1066551781 /nfs/dbraw/zinc/55/17/81/1066551781.db2.gz UQYRLLSFWSVUEU-UHFFFAOYSA-N 0 0 454.399 4.604 20 0 JJADRN CO[C@H](C)c1nc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)cs1 ZINC001445277707 1066551861 /nfs/dbraw/zinc/55/18/61/1066551861.db2.gz WPDXIGFXZZLJTQ-GFCCVEGCSA-N 0 0 451.342 4.715 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1cc(Br)ncc1Br)c1cccs1 ZINC001445279278 1066552278 /nfs/dbraw/zinc/55/22/78/1066552278.db2.gz WBJPMEDKFVDWLN-SNVBAGLBSA-N 0 0 458.175 4.546 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC001456273324 1066552291 /nfs/dbraw/zinc/55/22/91/1066552291.db2.gz XMRSHLCYDMEAQX-UHFFFAOYSA-N 0 0 457.368 4.921 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(F)cc1Br)C1CCCCC1 ZINC001456273731 1066552354 /nfs/dbraw/zinc/55/23/54/1066552354.db2.gz BNBOIPUTMNHEAT-SFHVURJKSA-N 0 0 457.384 4.721 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001361216289 1066552473 /nfs/dbraw/zinc/55/24/73/1066552473.db2.gz NLCZGPHSQHKEPA-RNODOKPDSA-N 0 0 452.979 4.609 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)C2)cc1 ZINC001445281800 1066552749 /nfs/dbraw/zinc/55/27/49/1066552749.db2.gz BSVISXZNHZNWBL-IFMALSPDSA-N 0 0 455.396 4.973 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)on2)c1 ZINC001456274368 1066552817 /nfs/dbraw/zinc/55/28/17/1066552817.db2.gz JWOPEHWSEXAADS-UHFFFAOYSA-N 0 0 456.424 4.998 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3)C2)cc1 ZINC001445281815 1066552883 /nfs/dbraw/zinc/55/28/83/1066552883.db2.gz BSVISXZNHZNWBL-UNMCSNQZSA-N 0 0 455.396 4.973 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CC2(S(C)(=O)=O)CCC2)cc1Br ZINC001361217361 1066552983 /nfs/dbraw/zinc/55/29/83/1066552983.db2.gz CNKGMKNRXJYTTI-INIZCTEOSA-N 0 0 495.487 4.610 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1)Oc1ccccc1C(F)(F)F ZINC001445282274 1066552980 /nfs/dbraw/zinc/55/29/80/1066552980.db2.gz BULISBUHZNROTH-AVRDEDQJSA-N 0 0 450.501 4.883 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C)C2=O ZINC001361217631 1066553470 /nfs/dbraw/zinc/55/34/70/1066553470.db2.gz IHWFWLONEPZWOQ-ZOIIRCJOSA-N 0 0 453.627 4.731 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1(CC)CC ZINC001445286950 1066553877 /nfs/dbraw/zinc/55/38/77/1066553877.db2.gz LRSRCTZWVUARND-CUMRGQLISA-N 0 0 458.462 4.779 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC4(CC4)C3)n2CCSCCCO)cc1Br ZINC001361217987 1066553825 /nfs/dbraw/zinc/55/38/25/1066553825.db2.gz IXPCHGCNZUDUCY-UHFFFAOYSA-N 0 0 465.461 4.512 20 0 JJADRN O=C(NCCCc1ccc(Cl)cc1Cl)c1ccc(I)cc1O ZINC001445291552 1066554313 /nfs/dbraw/zinc/55/43/13/1066554313.db2.gz SGBWGBDISWCONE-UHFFFAOYSA-N 0 0 450.103 4.666 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCCc3c(C)cccc31)C2 ZINC001456281430 1066554848 /nfs/dbraw/zinc/55/48/48/1066554848.db2.gz JYOBWCIPWBYBHQ-NRFANRHFSA-N 0 0 452.551 4.658 20 0 JJADRN O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001456284218 1066555236 /nfs/dbraw/zinc/55/52/36/1066555236.db2.gz WYGJCIKWYJGIDT-MDZDMXLPSA-N 0 0 459.618 4.802 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545973447 1066555493 /nfs/dbraw/zinc/55/54/93/1066555493.db2.gz ZCLRUXHIDPTZRI-IFMALSPDSA-N 0 0 480.588 4.776 20 0 JJADRN CC[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)Oc1ccccc1F ZINC001445293297 1066555535 /nfs/dbraw/zinc/55/55/35/1066555535.db2.gz LCETXUODOUUHHS-HUUCEWRRSA-N 0 0 457.571 4.567 20 0 JJADRN CN(C(=O)CNC(=O)NCc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001445296270 1066555979 /nfs/dbraw/zinc/55/59/79/1066555979.db2.gz JEFRCMOUMVFBQS-HSZRJFAPSA-N 0 0 457.908 4.665 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1ccccc1 ZINC001445295393 1066556197 /nfs/dbraw/zinc/55/61/97/1066556197.db2.gz OVHKDPHNSPSMRV-OAQYLSRUSA-N 0 0 454.958 4.684 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1Br ZINC001361219199 1066556305 /nfs/dbraw/zinc/55/63/05/1066556305.db2.gz VOHUKYJRUFGDST-INIZCTEOSA-N 0 0 497.503 4.856 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCCC3)n2CCCO[C@H]2CCOC2)cc1Br ZINC001361219174 1066556318 /nfs/dbraw/zinc/55/63/18/1066556318.db2.gz USCNTDVDZSJXCA-FQEVSTJZSA-N 0 0 477.447 4.982 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)N3CCOc4cc(Br)c(Cl)cc43)c2O1 ZINC001361219325 1066556380 /nfs/dbraw/zinc/55/63/80/1066556380.db2.gz YDEPCAYWAJNLAB-UHFFFAOYSA-N 0 0 452.732 4.620 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1 ZINC001456294481 1066556924 /nfs/dbraw/zinc/55/69/24/1066556924.db2.gz QROJUNONHRNOFR-UHFFFAOYSA-N 0 0 454.386 4.812 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973781 1066557376 /nfs/dbraw/zinc/55/73/76/1066557376.db2.gz HPNJPHAMXWPHGJ-IRWQIABSSA-N 0 0 454.311 4.609 20 0 JJADRN COCCOC1CCC(C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)CC1 ZINC001361220227 1066557557 /nfs/dbraw/zinc/55/75/57/1066557557.db2.gz JGUAFUNSCIPYIV-OWWUNANSSA-N 0 0 453.579 4.769 20 0 JJADRN CCCOC1(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)CCCCC1 ZINC001445329514 1066557680 /nfs/dbraw/zinc/55/76/80/1066557680.db2.gz ZABRJOFBBYSJRS-UHFFFAOYSA-N 0 0 451.036 4.956 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001445331995 1066557703 /nfs/dbraw/zinc/55/77/03/1066557703.db2.gz RCIZYSSMSABRSQ-IRXDYDNUSA-N 0 0 450.542 4.668 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001445331999 1066557872 /nfs/dbraw/zinc/55/78/72/1066557872.db2.gz RCIZYSSMSABRSQ-SJORKVTESA-N 0 0 450.542 4.668 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445330137 1066557891 /nfs/dbraw/zinc/55/78/91/1066557891.db2.gz KUUWCPLHAOPEOD-RUZDIDTESA-N 0 0 454.571 4.771 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCSC2(C)C)o1 ZINC001361220725 1066557933 /nfs/dbraw/zinc/55/79/33/1066557933.db2.gz BJSCPBWYEDWDBN-WMZOPIPTSA-N 0 0 475.659 4.824 20 0 JJADRN C[C@@H](CNC(=O)CCOc1cccc(Br)c1)Oc1ccccc1Br ZINC001445335573 1066558306 /nfs/dbraw/zinc/55/83/06/1066558306.db2.gz GTXNRTXKNVGXFU-ZDUSSCGKSA-N 0 0 457.162 4.564 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2[C@H]2C[C@H]2C)cc1Br ZINC001361220817 1066558404 /nfs/dbraw/zinc/55/84/04/1066558404.db2.gz FSXPTOSQRCDZPK-QAPCUYQASA-N 0 0 476.419 4.654 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CCCCC(F)(F)C2)o1 ZINC001361220828 1066558436 /nfs/dbraw/zinc/55/84/36/1066558436.db2.gz FXZJVJIXMWXPDQ-LJQANCHMSA-N 0 0 479.572 4.977 20 0 JJADRN C[C@@H]1CC2(CC(NC(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C(=O)OC(C)(C)C)C2)CO1 ZINC001456302258 1066558458 /nfs/dbraw/zinc/55/84/58/1066558458.db2.gz XUCSDAKCUSGYBK-CEVNTNKVSA-N 0 0 457.398 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2Cc2ccc(F)cc2F)o1 ZINC001361220944 1066559045 /nfs/dbraw/zinc/55/90/45/1066559045.db2.gz JJYABLVXDMSIIX-HNNXBMFYSA-N 0 0 473.524 4.619 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(OC(C)(C)C)nc2)o1 ZINC001361221005 1066559070 /nfs/dbraw/zinc/55/90/70/1066559070.db2.gz LHXXGFVSLJZFQW-UHFFFAOYSA-N 0 0 496.612 4.524 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C(=O)c2cccs2)CC1)Cc1ccccc1 ZINC001445337171 1066558987 /nfs/dbraw/zinc/55/89/87/1066558987.db2.gz KYMAUZCUEJNJDM-FQEVSTJZSA-N 0 0 456.608 4.696 20 0 JJADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)c1 ZINC001456303410 1066559002 /nfs/dbraw/zinc/55/90/02/1066559002.db2.gz LHRGDMOSGRBKQB-NRFANRHFSA-N 0 0 456.970 4.715 20 0 JJADRN COc1cccc(N(CC(=O)N2CCC(C(=O)c3cccs3)CC2)C(=O)OC(C)(C)C)c1 ZINC001445338566 1066559529 /nfs/dbraw/zinc/55/95/29/1066559529.db2.gz NFWGRSLYJHFAQF-UHFFFAOYSA-N 0 0 458.580 4.620 20 0 JJADRN CCN(C(=O)c1ncc(Br)cc1Br)[C@H](C)Cc1ccc(OC)cc1 ZINC001456305074 1066559799 /nfs/dbraw/zinc/55/97/99/1066559799.db2.gz VJAZPQIWRJGFNM-GFCCVEGCSA-N 0 0 456.178 4.709 20 0 JJADRN Cc1nc(CCC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)oc1-c1ccccc1 ZINC001445341960 1066560022 /nfs/dbraw/zinc/56/00/22/1066560022.db2.gz AVWOUEFMHZUEMD-NRFANRHFSA-N 0 0 452.860 4.802 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC001456308668 1066560364 /nfs/dbraw/zinc/56/03/64/1066560364.db2.gz WOXSLNDIIMBJFB-FQEVSTJZSA-N 0 0 458.942 4.549 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)Nc2nc3ccccc3n2CCc2ccccn2)o1 ZINC001361221692 1066560515 /nfs/dbraw/zinc/56/05/15/1066560515.db2.gz GPJVNXKJIOGTFN-WYMLVPIESA-N 0 0 458.518 4.874 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(c4ccccc4F)CC3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361222720 1066561021 /nfs/dbraw/zinc/56/10/21/1066561021.db2.gz ODJKTOHKWSCZAM-UHFFFAOYSA-N 0 0 451.468 4.901 20 0 JJADRN Cc1cccc(F)c1-n1nc(C(=O)NCCCc2cccc(Br)c2)c2c1CCC2 ZINC001456315219 1066561338 /nfs/dbraw/zinc/56/13/38/1066561338.db2.gz FUVJOLCOHVPDGV-UHFFFAOYSA-N 0 0 456.359 4.934 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)c2cc(Cl)ccc2O1 ZINC001361223246 1066561479 /nfs/dbraw/zinc/56/14/79/1066561479.db2.gz IEUBMGRSOAEDID-LLVKDONJSA-N 0 0 452.761 4.837 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2 ZINC001361223571 1066561576 /nfs/dbraw/zinc/56/15/76/1066561576.db2.gz RIFIPICQFQJGHW-FQEVSTJZSA-N 0 0 458.352 4.553 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001456318651 1066561719 /nfs/dbraw/zinc/56/17/19/1066561719.db2.gz LHJXPBJBCSZJKL-DTDOIZJWSA-N 0 0 450.963 4.543 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001456318654 1066561839 /nfs/dbraw/zinc/56/18/39/1066561839.db2.gz LHJXPBJBCSZJKL-KCUDFXNMSA-N 0 0 450.963 4.543 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545974286 1066562149 /nfs/dbraw/zinc/56/21/49/1066562149.db2.gz UDMBLYLNVCHYSK-GGAORHGYSA-N 0 0 452.526 4.507 20 0 JJADRN CCn1c(SCC(=O)Nc2n[nH]c(C)c2-c2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC001456321029 1066562232 /nfs/dbraw/zinc/56/22/32/1066562232.db2.gz SXWYITIDMRFVTP-UHFFFAOYSA-N 0 0 450.543 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC001456322691 1066562314 /nfs/dbraw/zinc/56/23/14/1066562314.db2.gz SVFTUBYNBWQLKG-RLWLMLJZSA-N 0 0 451.567 4.679 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H]2CCCCC2(F)F)o1 ZINC001361224188 1066562496 /nfs/dbraw/zinc/56/24/96/1066562496.db2.gz LOBHFRMEHADFBD-HNNXBMFYSA-N 0 0 479.469 4.694 20 0 JJADRN O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001445365917 1066562714 /nfs/dbraw/zinc/56/27/14/1066562714.db2.gz CVYQOURPCDREEL-QHCPKHFHSA-N 0 0 450.485 4.721 20 0 JJADRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)cc1 ZINC001456325007 1066562851 /nfs/dbraw/zinc/56/28/51/1066562851.db2.gz YYYNHQZBUAQNSP-QGZVFWFLSA-N 0 0 454.954 4.709 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001456325911 1066562877 /nfs/dbraw/zinc/56/28/77/1066562877.db2.gz ALFPRBSSSFPFPE-AWEZNQCLSA-N 0 0 457.290 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCOc2ccccc2Cl)o1 ZINC001361224307 1066562895 /nfs/dbraw/zinc/56/28/95/1066562895.db2.gz PIXATQJGLOFYJO-HNNXBMFYSA-N 0 0 483.922 4.652 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC001456323944 1066562907 /nfs/dbraw/zinc/56/29/07/1066562907.db2.gz XCIBQPIYSGHKFZ-QFIPXVFZSA-N 0 0 450.623 4.736 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC001456326018 1066563150 /nfs/dbraw/zinc/56/31/50/1066563150.db2.gz SIDMSXDARSJZCN-IBGZPJMESA-N 0 0 455.498 4.620 20 0 JJADRN CS(=O)(=O)CC1(CNC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 ZINC001445368789 1066563314 /nfs/dbraw/zinc/56/33/14/1066563314.db2.gz SBCITIRYDYXJBH-UHFFFAOYSA-N 0 0 455.601 4.549 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC001456331371 1066564297 /nfs/dbraw/zinc/56/42/97/1066564297.db2.gz MONRQSVOKWZTTL-SBUREZEXSA-N 0 0 455.553 4.898 20 0 JJADRN CC(C)OC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3Br)c2)[nH]n1 ZINC001456332756 1066564320 /nfs/dbraw/zinc/56/43/20/1066564320.db2.gz MFPFLFIZGYQCAC-UHFFFAOYSA-N 0 0 458.312 4.569 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC001361226050 1066564414 /nfs/dbraw/zinc/56/44/14/1066564414.db2.gz AKQXURNBUXCHBA-QHCPKHFHSA-N 0 0 458.967 4.792 20 0 JJADRN CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001456333294 1066564434 /nfs/dbraw/zinc/56/44/34/1066564434.db2.gz HHGHDRHEUJRUOZ-LGPLSSKUSA-N 0 0 477.649 4.840 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC001456333411 1066564439 /nfs/dbraw/zinc/56/44/39/1066564439.db2.gz QMFZVRFEELPPAM-OAHLLOKOSA-N 0 0 458.331 4.762 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)c2sc(-c3ccc(OC)cc3F)nc2C)C1)CC(F)(F)F ZINC001445374802 1066564572 /nfs/dbraw/zinc/56/45/72/1066564572.db2.gz XRDJCRWMDKBDEZ-AWEZNQCLSA-N 0 0 459.509 4.613 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccc(F)cc1 ZINC001456335733 1066564861 /nfs/dbraw/zinc/56/48/61/1066564861.db2.gz HBYHUEGDTDKKBX-HXUWFJFHSA-N 0 0 452.486 4.655 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c1 ZINC001456338667 1066565274 /nfs/dbraw/zinc/56/52/74/1066565274.db2.gz OPAQFCNRAKQNBB-GHTZIAJQSA-N 0 0 455.599 4.677 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)nnc1-c1ccccc1 ZINC001456339402 1066565283 /nfs/dbraw/zinc/56/52/83/1066565283.db2.gz PQGVPNHBLFXPFS-DXIQSLLYSA-N 0 0 450.608 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCc2nccs2)cc1Br ZINC001361227218 1066565339 /nfs/dbraw/zinc/56/53/39/1066565339.db2.gz IEOQJWFTXYJJEE-OAHLLOKOSA-N 0 0 476.444 4.719 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(C(F)(F)F)cc2)o1 ZINC001361227212 1066565390 /nfs/dbraw/zinc/56/53/90/1066565390.db2.gz ICASHGZGAOSLIU-MRXNPFEDSA-N 0 0 460.378 4.681 20 0 JJADRN CC(C)C[C@H](CC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)NC(=O)OC(C)(C)C ZINC001456338245 1066565492 /nfs/dbraw/zinc/56/54/92/1066565492.db2.gz KLVJRAMVGDZPMB-ZWKOTPCHSA-N 0 0 457.537 4.730 20 0 JJADRN CN(C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001445386694 1066565529 /nfs/dbraw/zinc/56/55/29/1066565529.db2.gz BSHVICMPFCTPNS-CUWPLCDZSA-N 0 0 458.990 4.761 20 0 JJADRN COC1CCC(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001445384598 1066565586 /nfs/dbraw/zinc/56/55/86/1066565586.db2.gz OEZDSXHTCCOVAT-UHFFFAOYSA-N 0 0 450.579 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C2(CCCCC2)C1 ZINC001456340159 1066565780 /nfs/dbraw/zinc/56/57/80/1066565780.db2.gz QCQBUWQYKNDIBK-QFIPXVFZSA-N 0 0 458.599 4.640 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3cccnn3)c2)c1Cl ZINC001456340220 1066565958 /nfs/dbraw/zinc/56/59/58/1066565958.db2.gz LWCMNTOEYZVOEJ-UHFFFAOYSA-N 0 0 452.319 4.622 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccccc1COc1cccc(C=O)c1 ZINC001445388767 1066566124 /nfs/dbraw/zinc/56/61/24/1066566124.db2.gz CLNQPVNVXCSJLW-UHFFFAOYSA-N 0 0 454.567 4.701 20 0 JJADRN CC[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)Oc1cccc(C(F)(F)F)c1 ZINC001445396189 1066566433 /nfs/dbraw/zinc/56/64/33/1066566433.db2.gz WFHHELZZOGMGFM-DZGCQCFKSA-N 0 0 454.436 4.528 20 0 JJADRN CC[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)Oc1cccc(C(F)(F)F)c1 ZINC001445396201 1066566618 /nfs/dbraw/zinc/56/66/18/1066566618.db2.gz WFHHELZZOGMGFM-ZFWWWQNUSA-N 0 0 454.436 4.528 20 0 JJADRN CNC(=O)[C@@H](C)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001445398626 1066566696 /nfs/dbraw/zinc/56/66/96/1066566696.db2.gz AVTHKWAKNSLYGJ-FQEVSTJZSA-N 0 0 452.558 4.660 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CCCN1c1ncnc2ccccc21)Oc1cccc(C(F)(F)F)c1 ZINC001445399349 1066566992 /nfs/dbraw/zinc/56/69/92/1066566992.db2.gz XHMUCAYGYGARNO-DYESRHJHSA-N 0 0 458.484 4.591 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC2(C)CC2)cc1Br ZINC001361227877 1066567005 /nfs/dbraw/zinc/56/70/05/1066567005.db2.gz XSLXMONSGYTYHT-MRXNPFEDSA-N 0 0 473.337 4.974 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001456350694 1066567262 /nfs/dbraw/zinc/56/72/62/1066567262.db2.gz JXQLFYGACPKTNT-UHFFFAOYSA-N 0 0 450.438 4.877 20 0 JJADRN Cn1ncc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001456350156 1066567267 /nfs/dbraw/zinc/56/72/67/1066567267.db2.gz IUSXRHFLCBYPPR-UHFFFAOYSA-N 0 0 452.477 4.543 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001456350868 1066567282 /nfs/dbraw/zinc/56/72/82/1066567282.db2.gz KZUFZEFZXDRGDE-QGZVFWFLSA-N 0 0 454.702 4.942 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](CCc4ccccc4)C3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361228785 1066567405 /nfs/dbraw/zinc/56/74/05/1066567405.db2.gz FHTAETGZVWHOTJ-JOCHJYFZSA-N 0 0 495.624 4.551 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)o1 ZINC001361228678 1066567429 /nfs/dbraw/zinc/56/74/29/1066567429.db2.gz ZYTPUPQYRXBGCS-HXUWFJFHSA-N 0 0 458.308 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](CCc4ccccc4)C3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361228837 1066567480 /nfs/dbraw/zinc/56/74/80/1066567480.db2.gz GTFVEMFSENKMQC-WNCULLNHSA-N 0 0 466.626 4.872 20 0 JJADRN CC1(C)CN(C(=O)c2sc3ncccc3c2N)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456352972 1066567806 /nfs/dbraw/zinc/56/78/06/1066567806.db2.gz ANSDRFBPEGBRTI-SFHVURJKSA-N 0 0 457.676 4.611 20 0 JJADRN CC1(C)CN(C(=O)Cc2nsc3ccccc32)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456352980 1066567812 /nfs/dbraw/zinc/56/78/12/1066567812.db2.gz AQYYPRBFXBAYCD-NRFANRHFSA-N 0 0 456.688 4.957 20 0 JJADRN CCOC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 ZINC001445408184 1066568038 /nfs/dbraw/zinc/56/80/38/1066568038.db2.gz ZDTOGPXOHDJHMQ-IBGZPJMESA-N 0 0 458.624 4.592 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001445410457 1066568088 /nfs/dbraw/zinc/56/80/88/1066568088.db2.gz CSWYXRFOGCBAAM-QFIPXVFZSA-N 0 0 454.979 4.906 20 0 JJADRN CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccn2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456353959 1066568275 /nfs/dbraw/zinc/56/82/75/1066568275.db2.gz CARNECVKAJHPST-QGZVFWFLSA-N 0 0 454.569 4.833 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001456353104 1066568318 /nfs/dbraw/zinc/56/83/18/1066568318.db2.gz SCSBEHINWVOUNS-UWJYYQICSA-N 0 0 452.576 4.609 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545974793 1066568349 /nfs/dbraw/zinc/56/83/49/1066568349.db2.gz FKELFTDZKUILHS-TZIWHRDSSA-N 0 0 482.604 4.785 20 0 JJADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001445408099 1066568400 /nfs/dbraw/zinc/56/84/00/1066568400.db2.gz HZISSLDALYBPNF-GRDWPZQVSA-N 0 0 451.485 4.794 20 0 JJADRN CN(C(=O)[C@@H]1CCCn2ncnc21)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC001445419195 1066568847 /nfs/dbraw/zinc/56/88/47/1066568847.db2.gz UCKOSEIKILJXSN-MOPGFXCFSA-N 0 0 459.775 4.819 20 0 JJADRN CC1(C)CN(C(=O)c2occc2Br)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456357498 1066568842 /nfs/dbraw/zinc/56/88/42/1066568842.db2.gz HYMFEVKMURVSEF-INIZCTEOSA-N 0 0 454.441 4.774 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001456359009 1066569272 /nfs/dbraw/zinc/56/92/72/1066569272.db2.gz KAVVPBFWMJUMHV-PIPIOBNBSA-N 0 0 458.990 4.803 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC001445419339 1066569455 /nfs/dbraw/zinc/56/94/55/1066569455.db2.gz GRJDQVFQYZLKPS-AWEZNQCLSA-N 0 0 454.832 4.526 20 0 JJADRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001445421097 1066569524 /nfs/dbraw/zinc/56/95/24/1066569524.db2.gz IYDDHFYUBJUHEJ-SFHVURJKSA-N 0 0 452.860 4.866 20 0 JJADRN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001361230313 1066569429 /nfs/dbraw/zinc/56/94/29/1066569429.db2.gz RJZOXVGOPJVWFC-OAHLLOKOSA-N 0 0 452.473 4.656 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC001361230517 1066569553 /nfs/dbraw/zinc/56/95/53/1066569553.db2.gz WQVKLSMWXVDDHT-HZPDHXFCSA-N 0 0 456.029 4.588 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1Cl ZINC001456361333 1066570753 /nfs/dbraw/zinc/57/07/53/1066570753.db2.gz CHOFZEDFNSHJQE-FQEVSTJZSA-N 0 0 455.045 4.949 20 0 JJADRN CC(=O)Nc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2COCC[Si](C)(C)C)c1C ZINC001456362236 1066570846 /nfs/dbraw/zinc/57/08/46/1066570846.db2.gz UGILAPLNLIHGEF-NRFANRHFSA-N 0 0 456.663 4.686 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(N3CCOCC3)c(C)c2)c1-c1cccc(Br)c1 ZINC001445430743 1066570876 /nfs/dbraw/zinc/57/08/76/1066570876.db2.gz XDRLJAJXKVYVON-UHFFFAOYSA-N 0 0 455.356 4.545 20 0 JJADRN O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001445431455 1066571008 /nfs/dbraw/zinc/57/10/08/1066571008.db2.gz QNGISMYBJMRCKH-UHFFFAOYSA-N 0 0 457.328 4.802 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2Cc2ccc(F)cn2)cc1Br ZINC001361231278 1066571347 /nfs/dbraw/zinc/57/13/47/1066571347.db2.gz PQVRRCLLBOVMCU-CQSZACIVSA-N 0 0 462.392 4.540 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)o1 ZINC001361231384 1066571482 /nfs/dbraw/zinc/57/14/82/1066571482.db2.gz AEEXRQOTDGUVBC-IYBDPMFKSA-N 0 0 472.540 4.716 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)n1 ZINC001445439418 1066571501 /nfs/dbraw/zinc/57/15/01/1066571501.db2.gz UWZRASFVAOZBBF-HSZRJFAPSA-N 0 0 454.530 4.587 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)N(C)C(=O)OC(C)(C)C ZINC001445437998 1066571529 /nfs/dbraw/zinc/57/15/29/1066571529.db2.gz GARWURAFQZELBW-YOEHRIQHSA-N 0 0 450.967 4.849 20 0 JJADRN CC1(C)CN(C(=O)[C@@]2(c3ccccc3)CCCO2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456363694 1066571714 /nfs/dbraw/zinc/57/17/14/1066571714.db2.gz WOZGTNWJFLEGJO-OFVILXPXSA-N 0 0 455.675 4.811 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC001456363214 1066571791 /nfs/dbraw/zinc/57/17/91/1066571791.db2.gz LPGJFTCUELGUTP-KRWDZBQOSA-N 0 0 452.986 4.857 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCC(C)(C)O)cc1Br ZINC001361231665 1066571830 /nfs/dbraw/zinc/57/18/30/1066571830.db2.gz SGWCQABPNDJATH-LSDHHAIUSA-N 0 0 453.450 4.507 20 0 JJADRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001445441064 1066572067 /nfs/dbraw/zinc/57/20/67/1066572067.db2.gz NHUFFWURXVCSLF-LJQANCHMSA-N 0 0 450.560 4.840 20 0 JJADRN CC(C)(C)OC(=O)CCCC(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456364700 1066572064 /nfs/dbraw/zinc/57/20/64/1066572064.db2.gz YWHHKIAMOUUOMA-HXUWFJFHSA-N 0 0 451.684 4.617 20 0 JJADRN CN(C)C(=O)c1cccc(CCNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)c1 ZINC001456367235 1066572212 /nfs/dbraw/zinc/57/22/12/1066572212.db2.gz NICXDLVHMPOQIV-UHFFFAOYSA-N 0 0 457.549 4.967 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001456366828 1066572222 /nfs/dbraw/zinc/57/22/22/1066572222.db2.gz DQGFQRNSYCEDRP-IBGZPJMESA-N 0 0 450.913 4.822 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@](C)(O)c2ccccc2Cl)o1 ZINC001361232002 1066572295 /nfs/dbraw/zinc/57/22/95/1066572295.db2.gz UXNBXDNQLDKVPW-NZQKXSOJSA-N 0 0 461.031 4.985 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361232022 1066572301 /nfs/dbraw/zinc/57/23/01/1066572301.db2.gz VJIMOPHQXKYFOH-VFNWGFHPSA-N 0 0 493.496 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCO[C@@H]2CCCC[C@H]2C)cc1Br ZINC001361231821 1066572347 /nfs/dbraw/zinc/57/23/47/1066572347.db2.gz GJHXEYWQYUAFIA-RPHTVSPISA-N 0 0 491.474 4.818 20 0 JJADRN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445444472 1066572479 /nfs/dbraw/zinc/57/24/79/1066572479.db2.gz WBOKSKRXMPPLGD-HNNXBMFYSA-N 0 0 453.930 4.511 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)[C@@H](CC)CN1C(C)=O ZINC001361232255 1066572966 /nfs/dbraw/zinc/57/29/66/1066572966.db2.gz SFKHTTQWKYSIIG-ROUUACIJSA-N 0 0 459.015 4.910 20 0 JJADRN Cc1ccc(Oc2ccccc2)c(NC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC001445456625 1066573030 /nfs/dbraw/zinc/57/30/30/1066573030.db2.gz RMVZQXOQCACARA-UHFFFAOYSA-N 0 0 454.548 4.955 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361232631 1066573437 /nfs/dbraw/zinc/57/34/37/1066573437.db2.gz RLOAAFOJYPCQAE-BFYDXBDKSA-N 0 0 485.551 4.984 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccccc2NCCC2=CCCCC2)CCO1 ZINC001445459640 1066573610 /nfs/dbraw/zinc/57/36/10/1066573610.db2.gz HGYPKTWDDMYNLV-CVDCTZTESA-N 0 0 457.615 4.743 20 0 JJADRN COc1cc(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)ccc1C ZINC001361233935 1066574337 /nfs/dbraw/zinc/57/43/37/1066574337.db2.gz NAKBBYVMQQKVBU-UHFFFAOYSA-N 0 0 457.290 4.747 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)C1 ZINC001456382971 1066574392 /nfs/dbraw/zinc/57/43/92/1066574392.db2.gz LNEYFZKHEXLHPM-QGZVFWFLSA-N 0 0 456.867 4.922 20 0 JJADRN COc1ccccc1[C@@H](CC(C)C)NC(=O)CSc1nnc(C)n1-c1ccccc1OC ZINC001445466145 1066574571 /nfs/dbraw/zinc/57/45/71/1066574571.db2.gz UTCHTHPSNFVSLZ-LJQANCHMSA-N 0 0 454.596 4.589 20 0 JJADRN O=C(NCCc1cc(F)cc(OCc2ccccc2)c1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001456384901 1066574851 /nfs/dbraw/zinc/57/48/51/1066574851.db2.gz UAMQGLZMPLPHIM-SANMLTNESA-N 0 0 450.529 4.867 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001456389518 1066575472 /nfs/dbraw/zinc/57/54/72/1066575472.db2.gz HNSCZWGIAGIGBE-UHFFFAOYSA-N 0 0 451.544 4.504 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC001456389314 1066575521 /nfs/dbraw/zinc/57/55/21/1066575521.db2.gz GQCOHOHGSGGBLK-UHFFFAOYSA-N 0 0 455.967 4.561 20 0 JJADRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456389444 1066575573 /nfs/dbraw/zinc/57/55/73/1066575573.db2.gz HHIGISUBJWKQEF-UHFFFAOYSA-N 0 0 453.608 4.701 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456388747 1066575608 /nfs/dbraw/zinc/57/56/08/1066575608.db2.gz AEGWFSAYNYCRCF-ZIAGYGMSSA-N 0 0 453.370 4.649 20 0 JJADRN COc1ccc(CCCC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC001456389611 1066575630 /nfs/dbraw/zinc/57/56/30/1066575630.db2.gz HYGKGJYKHWUHMK-UHFFFAOYSA-N 0 0 453.560 4.639 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001361235755 1066575869 /nfs/dbraw/zinc/57/58/69/1066575869.db2.gz YZNOGLFUJHANFB-LEAZDLGRSA-N 0 0 499.603 4.832 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 ZINC001456390751 1066576162 /nfs/dbraw/zinc/57/61/62/1066576162.db2.gz GUOPIRDYBBNUQU-QHCPKHFHSA-N 0 0 456.995 4.698 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001445486249 1066576443 /nfs/dbraw/zinc/57/64/43/1066576443.db2.gz YRWYKHIVRKGUJW-SFHVURJKSA-N 0 0 458.521 4.916 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456393096 1066576456 /nfs/dbraw/zinc/57/64/56/1066576456.db2.gz QRGFATDMPWQRSK-UHFFFAOYSA-N 0 0 451.544 4.504 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@H]3COC(C)(C)O3)cc12 ZINC001445488087 1066576849 /nfs/dbraw/zinc/57/68/49/1066576849.db2.gz VZPODCOXDYZGGT-AWEZNQCLSA-N 0 0 454.379 4.643 20 0 JJADRN CC(C)n1cc(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)c(C2CCOCC2)n1 ZINC001445486570 1066576891 /nfs/dbraw/zinc/57/68/91/1066576891.db2.gz ZJCYEBYFOWIMLW-UHFFFAOYSA-N 0 0 451.489 4.571 20 0 JJADRN CC(C)Oc1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1Br ZINC001456394238 1066577125 /nfs/dbraw/zinc/57/71/25/1066577125.db2.gz FWLKEFAFAXCMEX-HUUCEWRRSA-N 0 0 455.393 4.706 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccnc2SCc2ccc(F)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001456394578 1066577221 /nfs/dbraw/zinc/57/72/21/1066577221.db2.gz GZIUMZVJTPTOAM-IAGOWNOFSA-N 0 0 459.587 4.983 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N(CCC(C)C)C2CC2)cc1 ZINC001361236786 1066577223 /nfs/dbraw/zinc/57/72/23/1066577223.db2.gz KVVWVGCNBYCKIP-VWNXMTODSA-N 0 0 467.658 4.908 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)C)o1 ZINC001361236772 1066577302 /nfs/dbraw/zinc/57/73/02/1066577302.db2.gz KRLQOIXOPOTBHZ-VQTJNVASSA-N 0 0 473.618 4.876 20 0 JJADRN COC(=O)C1([C@@]2(O)CCCN(C(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)C2)CCC1 ZINC001456394676 1066577683 /nfs/dbraw/zinc/57/76/83/1066577683.db2.gz KCSHPPMECBESNC-KMEWNKIWSA-N 0 0 459.995 4.779 20 0 JJADRN O=C(c1ncc(Br)cc1Br)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC001445498303 1066577798 /nfs/dbraw/zinc/57/77/98/1066577798.db2.gz FQHCBSSBZVGGSF-ZFWWWQNUSA-N 0 0 458.194 4.751 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)NCc3nccn3CCCc3ccccc3)on2)c1 ZINC001445495796 1066577824 /nfs/dbraw/zinc/57/78/24/1066577824.db2.gz PGEYLOSURMPTKR-UHFFFAOYSA-N 0 0 450.926 4.763 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc[nH]3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361237721 1066578147 /nfs/dbraw/zinc/57/81/47/1066578147.db2.gz RVXCFAJLVGAWAO-IBGZPJMESA-N 0 0 454.575 4.821 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001361237715 1066578244 /nfs/dbraw/zinc/57/82/44/1066578244.db2.gz RVFRZCRLVYRIFI-JOCHJYFZSA-N 0 0 484.666 4.910 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC001445502342 1066578336 /nfs/dbraw/zinc/57/83/36/1066578336.db2.gz JIWYOODPCZOEMU-ZFWWWQNUSA-N 0 0 458.194 4.751 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC001445502073 1066578406 /nfs/dbraw/zinc/57/84/06/1066578406.db2.gz JFGYCEOSVSGMCF-UYAOXDASSA-N 0 0 458.400 4.838 20 0 JJADRN O=C(C[C@@H]1CCCC1(F)F)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361238211 1066578521 /nfs/dbraw/zinc/57/85/21/1066578521.db2.gz OWHGCYYKTOVPSS-LBPRGKRZSA-N 0 0 455.265 4.942 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F)NC(=O)OC(C)(C)C ZINC001545975843 1066578740 /nfs/dbraw/zinc/57/87/40/1066578740.db2.gz ZVGBOTNJNOFJJR-MRXNPFEDSA-N 0 0 474.556 4.881 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001545975853 1066578846 /nfs/dbraw/zinc/57/88/46/1066578846.db2.gz ACNOPFCBBLTSNQ-HXUWFJFHSA-N 0 0 454.514 4.582 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001361238380 1066579396 /nfs/dbraw/zinc/57/93/96/1066579396.db2.gz WASSUXCLDFXKIV-VXNXHJTFSA-N 0 0 483.657 4.899 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)COc3ccc(Br)cc3C(C)=O)CC2)c1 ZINC001445511924 1066579421 /nfs/dbraw/zinc/57/94/21/1066579421.db2.gz FXLVWGVZVIFREG-UHFFFAOYSA-N 0 0 458.352 4.745 20 0 JJADRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccnn1CCc1ccccc1 ZINC001456407281 1066579848 /nfs/dbraw/zinc/57/98/48/1066579848.db2.gz CSIPUXCFFZVOMB-UHFFFAOYSA-N 0 0 454.353 4.659 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2ncc(Cl)cc2Cl)cc1Cl)c1cnccn1 ZINC001456406873 1066579951 /nfs/dbraw/zinc/57/99/51/1066579951.db2.gz BJYORUXEDABQPN-UHFFFAOYSA-N 0 0 457.104 4.990 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361238869 1066580154 /nfs/dbraw/zinc/58/01/54/1066580154.db2.gz YOLRWXAPHRDONY-ZWKOTPCHSA-N 0 0 453.553 4.994 20 0 JJADRN CCCOc1cc(C)ccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001445519364 1066580275 /nfs/dbraw/zinc/58/02/75/1066580275.db2.gz ZKAYTGPGNRRSRD-UHFFFAOYSA-N 0 0 456.539 4.654 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C(=O)N2CCCC2)n1 ZINC001456409736 1066580337 /nfs/dbraw/zinc/58/03/37/1066580337.db2.gz JOLLFWNOCSBLBF-UHFFFAOYSA-N 0 0 456.424 4.776 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)cc1 ZINC001456409867 1066580390 /nfs/dbraw/zinc/58/03/90/1066580390.db2.gz JUDRNDWUYNTHNZ-JKSUJKDBSA-N 0 0 457.317 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(Cc4ccccc4F)CC3)nc2C1 ZINC001445517634 1066580485 /nfs/dbraw/zinc/58/04/85/1066580485.db2.gz XZWYGOMJDMCKRL-UHFFFAOYSA-N 0 0 453.558 4.609 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)s1 ZINC001445523008 1066580730 /nfs/dbraw/zinc/58/07/30/1066580730.db2.gz BTZDBUCNVJYMAD-UHFFFAOYSA-N 0 0 452.502 4.715 20 0 JJADRN C[S@](=O)Cc1cc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)ccc1Cl ZINC001456413227 1066580741 /nfs/dbraw/zinc/58/07/41/1066580741.db2.gz ORJSKOGHVXIDGF-SANMLTNESA-N 0 0 455.805 4.834 20 0 JJADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC001445521594 1066580975 /nfs/dbraw/zinc/58/09/75/1066580975.db2.gz APDXAEPLTHYAJY-YADHBBJMSA-N 0 0 458.986 4.896 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2Cn2c(CC(C)C)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361239500 1066581209 /nfs/dbraw/zinc/58/12/09/1066581209.db2.gz HBFZEMCOMHMHHL-AOYPEHQESA-N 0 0 454.659 4.942 20 0 JJADRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456415893 1066581358 /nfs/dbraw/zinc/58/13/58/1066581358.db2.gz XKEOYBABWCZWQV-NEPJUHHUSA-N 0 0 450.280 4.796 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001456414887 1066581428 /nfs/dbraw/zinc/58/14/28/1066581428.db2.gz RVBSTFNMTYRBCN-PWRODBHTSA-N 0 0 456.608 4.719 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(CC3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 ZINC001361239642 1066581300 /nfs/dbraw/zinc/58/13/00/1066581300.db2.gz IISRHEWOKOROTK-JYFHCDHNSA-N 0 0 481.685 4.838 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC001545976196 1066581363 /nfs/dbraw/zinc/58/13/63/1066581363.db2.gz ICJLRHFTEVMPIG-GOSISDBHSA-N 0 0 451.926 4.848 20 0 JJADRN CC(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC001456416006 1066581515 /nfs/dbraw/zinc/58/15/15/1066581515.db2.gz WUTNCJIQDHJMKW-UHFFFAOYSA-N 0 0 456.930 4.525 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCCCc2ccccc21 ZINC001361239927 1066581681 /nfs/dbraw/zinc/58/16/81/1066581681.db2.gz GCFPFPNLSQFJQP-UHFFFAOYSA-N 0 0 456.608 4.633 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)F)cc1 ZINC001361240101 1066581802 /nfs/dbraw/zinc/58/18/02/1066581802.db2.gz NFORXIQCNVQRQJ-RDPSFJRHSA-N 0 0 455.553 4.832 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H]2CCSC2)cc1 ZINC001361240121 1066582296 /nfs/dbraw/zinc/58/22/96/1066582296.db2.gz NLWPCXZBHOTQDH-SFHVURJKSA-N 0 0 460.445 4.539 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccccc1OCc1ccncc1 ZINC001456426260 1066582510 /nfs/dbraw/zinc/58/25/10/1066582510.db2.gz DWDQAHDZDVBOJN-GOSISDBHSA-N 0 0 457.452 4.568 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001445526393 1066582560 /nfs/dbraw/zinc/58/25/60/1066582560.db2.gz LKZKWZYUGAQGHS-MRXNPFEDSA-N 0 0 450.539 4.601 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CCN(CCOC(C)C)CC2)cc1 ZINC001361240937 1066582688 /nfs/dbraw/zinc/58/26/88/1066582688.db2.gz ZCSJWZZWWCPNKW-AHKZPQOWSA-N 0 0 497.728 4.890 20 0 JJADRN Cc1cc(F)cc(-n2nc(C(=O)N(CC(C)C)C[C@H](O)c3ccc(F)cc3)c3c2CCC3)c1 ZINC001445526738 1066582653 /nfs/dbraw/zinc/58/26/53/1066582653.db2.gz BNBYXAWYBVJHBJ-DEOSSOPVSA-N 0 0 453.533 4.779 20 0 JJADRN CC(C)CN(Cc1ccccc1Br)C(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001445530381 1066583226 /nfs/dbraw/zinc/58/32/26/1066583226.db2.gz PXQHRPUHWNZTKR-UHFFFAOYSA-N 0 0 451.748 4.732 20 0 JJADRN Cc1ccc(CCn2c(-c3cccn3C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c(C)c1 ZINC001361241594 1066583215 /nfs/dbraw/zinc/58/32/15/1066583215.db2.gz JROIYXHOVGQOTB-DEOSSOPVSA-N 0 0 475.559 4.673 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCCO[C@@H](C)C2)c(C)c1 ZINC001361241324 1066583292 /nfs/dbraw/zinc/58/32/92/1066583292.db2.gz AUYQCWVCZYLDPM-KRWDZBQOSA-N 0 0 458.404 4.510 20 0 JJADRN CCOc1ccccc1OCC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445527655 1066583238 /nfs/dbraw/zinc/58/32/38/1066583238.db2.gz DRUORVMMNPQYRX-UHFFFAOYSA-N 0 0 450.720 4.909 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c(C)c1Br ZINC001456432236 1066583484 /nfs/dbraw/zinc/58/34/84/1066583484.db2.gz JNDKWFXITKTESO-AWEZNQCLSA-N 0 0 457.290 4.973 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cs1 ZINC001456431320 1066583553 /nfs/dbraw/zinc/58/35/53/1066583553.db2.gz JAHGNRZYULICGR-UHFFFAOYSA-N 0 0 459.040 4.750 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCSC2)c(C)c1 ZINC001361241737 1066583670 /nfs/dbraw/zinc/58/36/70/1066583670.db2.gz NUCVSCUJSBDDGJ-SFHVURJKSA-N 0 0 460.445 4.837 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccc(-n3ccc(C)n3)cc2)c2ccc(OC)cc2OC)cc1 ZINC001456432495 1066583816 /nfs/dbraw/zinc/58/38/16/1066583816.db2.gz PXMKKKDGALWZNE-AREMUKBSSA-N 0 0 457.530 4.726 20 0 JJADRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456433489 1066584180 /nfs/dbraw/zinc/58/41/80/1066584180.db2.gz SGQGZFPBHSHAKQ-MSOLQXFVSA-N 0 0 455.530 4.723 20 0 JJADRN Cc1ccccc1C1(C(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001456433587 1066584338 /nfs/dbraw/zinc/58/43/38/1066584338.db2.gz BBRFKSYZXQARIW-OAQYLSRUSA-N 0 0 456.627 4.824 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(C)C)C2)c(C)c1 ZINC001361242649 1066584739 /nfs/dbraw/zinc/58/47/39/1066584739.db2.gz CKPWPIBAYOURFT-RPWUZVMVSA-N 0 0 497.684 4.928 20 0 JJADRN CC[C@@H]1c2ccccc2CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC001456434428 1066584826 /nfs/dbraw/zinc/58/48/26/1066584826.db2.gz WVDIRYZIFOXECM-LJQANCHMSA-N 0 0 457.315 4.627 20 0 JJADRN CC/C(=C/C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1ccc(OC)cc1 ZINC001456434284 1066584989 /nfs/dbraw/zinc/58/49/89/1066584989.db2.gz IPZBIRBLMKDNSL-ZPHPHTNESA-N 0 0 458.599 4.554 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS[C@@H](C)C2)cc1 ZINC001361243448 1066585171 /nfs/dbraw/zinc/58/51/71/1066585171.db2.gz NHAYENZXCULXAW-RBBKRZOGSA-N 0 0 485.698 4.885 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccccn3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243245 1066585179 /nfs/dbraw/zinc/58/51/79/1066585179.db2.gz KVRZYFJSZDHPST-QHCPKHFHSA-N 0 0 490.652 4.508 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001445540102 1066585356 /nfs/dbraw/zinc/58/53/56/1066585356.db2.gz LWRZEZUNNZVMCO-ZCYQVOJMSA-N 0 0 459.546 4.604 20 0 JJADRN Cc1ccc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001361243600 1066585586 /nfs/dbraw/zinc/58/55/86/1066585586.db2.gz PFLWAFNNOWYRLR-NHCUHLMSSA-N 0 0 483.657 4.557 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCCN(c3ncccc3F)CC2)c(C)c1 ZINC001361243817 1066585590 /nfs/dbraw/zinc/58/55/90/1066585590.db2.gz VGJTYWIHAOKNJH-UHFFFAOYSA-N 0 0 464.633 4.977 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)c1 ZINC001445542043 1066585663 /nfs/dbraw/zinc/58/56/63/1066585663.db2.gz VOKGICCXIFUVHA-QHCPKHFHSA-N 0 0 455.599 4.939 20 0 JJADRN Cc1cccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)n1 ZINC001445542048 1066585864 /nfs/dbraw/zinc/58/58/64/1066585864.db2.gz ZUJPCDVBFYCXRB-JOCHJYFZSA-N 0 0 455.967 4.822 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001445544754 1066586232 /nfs/dbraw/zinc/58/62/32/1066586232.db2.gz TZZBMXYUBXAOJP-UKILVPOCSA-N 0 0 451.950 4.884 20 0 JJADRN Cc1nc(CNC(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)oc1-c1ccc(Cl)cc1 ZINC001445544250 1066586319 /nfs/dbraw/zinc/58/63/19/1066586319.db2.gz NCTDXRRIHSUDJN-UHFFFAOYSA-N 0 0 456.955 4.880 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456439332 1066586420 /nfs/dbraw/zinc/58/64/20/1066586420.db2.gz HZEPQKSETUQXRK-UHFFFAOYSA-N 0 0 450.438 4.857 20 0 JJADRN COCCNc1nc(CC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cs1 ZINC001445552608 1066586803 /nfs/dbraw/zinc/58/68/03/1066586803.db2.gz QQLZUXLWJAGGGE-LBPRGKRZSA-N 0 0 451.017 4.707 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC001445546905 1066586864 /nfs/dbraw/zinc/58/68/64/1066586864.db2.gz XDZDQKIHFUVUDL-HNNXBMFYSA-N 0 0 457.905 4.688 20 0 JJADRN O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC001456440307 1066586998 /nfs/dbraw/zinc/58/69/98/1066586998.db2.gz DSGODYMRVAIOLZ-FUHWJXTLSA-N 0 0 451.325 4.555 20 0 JJADRN Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361245405 1066587137 /nfs/dbraw/zinc/58/71/37/1066587137.db2.gz OAYLNXJPXIWFSE-QHCPKHFHSA-N 0 0 467.658 4.974 20 0 JJADRN Cc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCCCCCC2)c(C)c1 ZINC001361245249 1066587164 /nfs/dbraw/zinc/58/71/64/1066587164.db2.gz INTXEPGIDLAEGV-UHFFFAOYSA-N 0 0 451.640 4.900 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(Br)o2)cc1 ZINC001361245436 1066587191 /nfs/dbraw/zinc/58/71/91/1066587191.db2.gz OTVIBJIQEKERGU-UHFFFAOYSA-N 0 0 466.383 4.807 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001445561221 1066587371 /nfs/dbraw/zinc/58/73/71/1066587371.db2.gz AZMPDBYVICXXNR-HXUWFJFHSA-N 0 0 459.562 4.646 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccco2)cc1)c1ccc(Br)cc1 ZINC001456440818 1066587378 /nfs/dbraw/zinc/58/73/78/1066587378.db2.gz ABVBHMSXWVWDJF-LJQANCHMSA-N 0 0 455.308 4.508 20 0 JJADRN Cc1cc(C(=O)N2CCSC[C@H]2c2ccccc2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456442033 1066587433 /nfs/dbraw/zinc/58/74/33/1066587433.db2.gz HUNYMAMDBMQCNO-QHCPKHFHSA-N 0 0 452.620 4.625 20 0 JJADRN Cc1ccc(CCn2c(N3CCC=C(Br)C3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245557 1066587581 /nfs/dbraw/zinc/58/75/81/1066587581.db2.gz QJUPOOTZSQRGML-DEOSSOPVSA-N 0 0 489.458 4.667 20 0 JJADRN Cc1ccc(CCn2c(N3CCN([C@@H](C)c4nc(C(C)C)no4)CC3)nnc2C(C)(C)C)cc1 ZINC001361245526 1066587632 /nfs/dbraw/zinc/58/76/32/1066587632.db2.gz PZXZKOBXEXSPDL-FQEVSTJZSA-N 0 0 465.646 4.516 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(c4ccc(F)cc4C)C3)CC2=O)cc1 ZINC001456443705 1066587897 /nfs/dbraw/zinc/58/78/97/1066587897.db2.gz MYPLBIYQWQFVHF-GMAHTHKFSA-N 0 0 451.586 4.615 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)O[C@@H](C)C2 ZINC001361245960 1066587864 /nfs/dbraw/zinc/58/78/64/1066587864.db2.gz JEYUUJVSTFYSCT-BNEPBEBHSA-N 0 0 453.482 4.778 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC001445562448 1066587895 /nfs/dbraw/zinc/58/78/95/1066587895.db2.gz NDZGFBBYIHZBHT-UHFFFAOYSA-N 0 0 456.999 4.916 20 0 JJADRN Cc1ccc(CCn2c(Cc3cn4ccccc4n3)nnc2N(C)CCOC(C)(C)C)c(C)c1 ZINC001361246050 1066587992 /nfs/dbraw/zinc/58/79/92/1066587992.db2.gz XJZJTMDKSQQAOI-UHFFFAOYSA-N 0 0 460.626 4.627 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccn(-c2cccc(Br)c2)n1 ZINC001361245936 1066588012 /nfs/dbraw/zinc/58/80/12/1066588012.db2.gz IVDZKWKBDBPFIU-MHZLTWQESA-N 0 0 458.259 4.515 20 0 JJADRN Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361246165 1066588387 /nfs/dbraw/zinc/58/83/87/1066588387.db2.gz ZMGFSVRWSDCRIF-XMMPIXPASA-N 0 0 497.684 4.600 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361246121 1066588406 /nfs/dbraw/zinc/58/84/06/1066588406.db2.gz LOELDJBSGGZGCK-FOGNVHKLSA-N 0 0 450.523 4.828 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)s1 ZINC001361246910 1066588882 /nfs/dbraw/zinc/58/88/82/1066588882.db2.gz IGJQTFCDOYYSSS-UHFFFAOYSA-N 0 0 477.638 4.749 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(CSC3CCCCC3)c2)c(I)n1 ZINC001456447171 1066589161 /nfs/dbraw/zinc/58/91/61/1066589161.db2.gz UHXNVGNUQBPPSF-UHFFFAOYSA-N 0 0 455.365 4.843 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccs2)o1 ZINC001361247011 1066589295 /nfs/dbraw/zinc/58/92/95/1066589295.db2.gz MCRGNVUNORGGKV-UHFFFAOYSA-N 0 0 450.568 4.503 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnc(C)s2)s1 ZINC001361247116 1066589306 /nfs/dbraw/zinc/58/93/06/1066589306.db2.gz PVWCHYSDJMKKDK-UHFFFAOYSA-N 0 0 487.054 4.681 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2C)s1 ZINC001361247147 1066589354 /nfs/dbraw/zinc/58/93/54/1066589354.db2.gz RCHURNWQKKIGEE-QUCCMNQESA-N 0 0 467.639 4.826 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001456449068 1066589488 /nfs/dbraw/zinc/58/94/88/1066589488.db2.gz NCAFYHXHABKGDI-UHFFFAOYSA-N 0 0 455.967 4.780 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC(F)(F)CO2)s1 ZINC001361247331 1066589929 /nfs/dbraw/zinc/58/99/29/1066589929.db2.gz ZDOUGCSCYJKKIZ-SFHVURJKSA-N 0 0 475.565 4.578 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)s1 ZINC001361247302 1066589974 /nfs/dbraw/zinc/58/99/74/1066589974.db2.gz YHVNAJIVCWFTBD-CMKODMSKSA-N 0 0 489.686 4.606 20 0 JJADRN Cc1csc(SCc2ccc(C(=O)N3CCOC[C@H]3CC(=O)c3ccccc3)cc2)n1 ZINC001445576893 1066590031 /nfs/dbraw/zinc/59/00/31/1066590031.db2.gz OWWYPFOCJSLZQJ-OAQYLSRUSA-N 0 0 452.601 4.858 20 0 JJADRN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)c1ccccc1 ZINC001445577585 1066590097 /nfs/dbraw/zinc/59/00/97/1066590097.db2.gz PRTZVAWUTIDYFM-OAQYLSRUSA-N 0 0 454.448 4.881 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccoc1 ZINC001456451662 1066590448 /nfs/dbraw/zinc/59/04/48/1066590448.db2.gz KGDGGDMSTDPVKR-QHCPKHFHSA-N 0 0 450.535 4.611 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)on1 ZINC001456451222 1066590469 /nfs/dbraw/zinc/59/04/69/1066590469.db2.gz WGJVEFAAENFCRO-UHFFFAOYSA-N 0 0 454.939 4.951 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)s1 ZINC001361247803 1066590541 /nfs/dbraw/zinc/59/05/41/1066590541.db2.gz BGAXWZLFUKQKOV-MJGOQNOKSA-N 0 0 490.073 4.799 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)no1 ZINC001456451409 1066590655 /nfs/dbraw/zinc/59/06/55/1066590655.db2.gz VEOHVCZZCGUYOK-SFHVURJKSA-N 0 0 452.942 4.514 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)NCc3csc(-c4ccco4)n3)cc2)CC1 ZINC001445581489 1066590730 /nfs/dbraw/zinc/59/07/30/1066590730.db2.gz GKWFVMFWEZQPQT-UHFFFAOYSA-N 0 0 452.580 4.675 20 0 JJADRN COc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nc1Br ZINC001361247910 1066590761 /nfs/dbraw/zinc/59/07/61/1066590761.db2.gz OGJUSWHFBCKQIS-LBPRGKRZSA-N 0 0 450.333 4.691 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)s1 ZINC001361248011 1066590818 /nfs/dbraw/zinc/59/08/18/1066590818.db2.gz DXKVZURLMFEJAV-INIZCTEOSA-N 0 0 497.024 4.620 20 0 JJADRN Cc1c(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)oc2ccc(F)cc12 ZINC001456452336 1066590999 /nfs/dbraw/zinc/59/09/99/1066590999.db2.gz YHRKXCLAACXJSR-NRFANRHFSA-N 0 0 451.325 4.877 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584573 1066590945 /nfs/dbraw/zinc/59/09/45/1066590945.db2.gz NQCWIZWJNYRUPA-PKTZIBPZSA-N 0 0 456.608 4.524 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N3CCCCC[C@@H]3CC(=O)c3ccco3)n2)cc1 ZINC001445585044 1066590985 /nfs/dbraw/zinc/59/09/85/1066590985.db2.gz IJLQLLIVLBXZMM-LJQANCHMSA-N 0 0 451.523 4.705 20 0 JJADRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(F)cc1I)c1ccco1 ZINC001445584772 1066591065 /nfs/dbraw/zinc/59/10/65/1066591065.db2.gz HILRNYYOTRBXKX-AWEZNQCLSA-N 0 0 455.267 4.681 20 0 JJADRN Cc1c(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)oc2ccc(F)cc12 ZINC001456452338 1066591038 /nfs/dbraw/zinc/59/10/38/1066591038.db2.gz YHRKXCLAACXJSR-OAQYLSRUSA-N 0 0 451.325 4.877 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC(Br)=NN3c3ccc(C)cc3)cc2)n[nH]1 ZINC001445584974 1066591139 /nfs/dbraw/zinc/59/11/39/1066591139.db2.gz HWRPEMNZEOFFKS-SFHVURJKSA-N 0 0 454.328 4.745 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC001361248193 1066591225 /nfs/dbraw/zinc/59/12/25/1066591225.db2.gz ROQBXJIMXBVCSD-KCZVDYSFSA-N 0 0 452.561 4.977 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1C ZINC001361248134 1066591235 /nfs/dbraw/zinc/59/12/35/1066591235.db2.gz QZYNCIDKTAKJQB-KRWDZBQOSA-N 0 0 456.539 4.693 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NC3(c4cccc(F)c4)CCOCC3)s2)cc1 ZINC001361248130 1066591383 /nfs/dbraw/zinc/59/13/83/1066591383.db2.gz QYMYGZLWKBGWAG-UHFFFAOYSA-N 0 0 454.523 4.584 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2)cn1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001456454242 1066591411 /nfs/dbraw/zinc/59/14/11/1066591411.db2.gz IJNJBPFHWQMPKR-QGZVFWFLSA-N 0 0 455.436 4.880 20 0 JJADRN O=C(NCc1ccc(NC(=O)[C@@]23CCO[C@@H]2CCCC3)cc1)c1ccc(Br)cc1 ZINC001456453424 1066591435 /nfs/dbraw/zinc/59/14/35/1066591435.db2.gz WIRMQLGARATFFB-OFNKIYASSA-N 0 0 457.368 4.667 20 0 JJADRN O=C(NCc1ccc(NC(=O)[C@]23CCO[C@@H]2CCCC3)cc1)c1ccc(Br)cc1 ZINC001456453112 1066591478 /nfs/dbraw/zinc/59/14/78/1066591478.db2.gz WIRMQLGARATFFB-NFBKMPQASA-N 0 0 457.368 4.667 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC)c2ccccc2)c1 ZINC001456454816 1066591510 /nfs/dbraw/zinc/59/15/10/1066591510.db2.gz UQNQQOXLRXVACV-RUZDIDTESA-N 0 0 453.560 4.908 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H]2COCCO2)o1 ZINC001361248280 1066591759 /nfs/dbraw/zinc/59/17/59/1066591759.db2.gz JHYWDJTWOTWLRS-GHTZIAJQSA-N 0 0 474.989 4.642 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001456460985 1066591939 /nfs/dbraw/zinc/59/19/39/1066591939.db2.gz GCXIBCNBYZLGHW-UHFFFAOYSA-N 0 0 455.805 4.641 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC001456459500 1066591948 /nfs/dbraw/zinc/59/19/48/1066591948.db2.gz BUWKCDKJNMJNRM-MYUZEXMDSA-N 0 0 452.414 4.552 20 0 JJADRN CC[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 ZINC001456456420 1066591952 /nfs/dbraw/zinc/59/19/52/1066591952.db2.gz ZSLMAXXSMUNOIG-AREMUKBSSA-N 0 0 456.652 4.763 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)cc2)n[nH]1 ZINC001445588500 1066592128 /nfs/dbraw/zinc/59/21/28/1066592128.db2.gz OEFQFNPOSVCYFS-UHFFFAOYSA-N 0 0 451.483 4.540 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncccc2N(C)C)o1 ZINC001361248765 1066592121 /nfs/dbraw/zinc/59/21/21/1066592121.db2.gz QIAMRXZSUZRKLB-GOSISDBHSA-N 0 0 464.545 4.604 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001545976906 1066592189 /nfs/dbraw/zinc/59/21/89/1066592189.db2.gz AQMBQPVDLIQOIB-OAQYLSRUSA-N 0 0 477.613 4.591 20 0 JJADRN C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001445587078 1066592202 /nfs/dbraw/zinc/59/22/02/1066592202.db2.gz NHUNLAKUCNORNJ-MRXNPFEDSA-N 0 0 456.951 4.532 20 0 JJADRN O=C(CCc1cc(Br)cs1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001456463951 1066592256 /nfs/dbraw/zinc/59/22/56/1066592256.db2.gz PFVKIEJQLOEVQC-UHFFFAOYSA-N 0 0 456.365 4.680 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccnc(N2CCCCC2)c1)OCc1ccccc1 ZINC001456462363 1066592396 /nfs/dbraw/zinc/59/23/96/1066592396.db2.gz SZHYQNLCXLEHPU-DEOSSOPVSA-N 0 0 458.562 4.548 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c(C)c1Br ZINC001456464144 1066592420 /nfs/dbraw/zinc/59/24/20/1066592420.db2.gz QHOYCANJGCBKSF-UHFFFAOYSA-N 0 0 450.336 4.916 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2C)o1 ZINC001361248886 1066592717 /nfs/dbraw/zinc/59/27/17/1066592717.db2.gz VGXBQQDNVDCNSN-LVXARBLLSA-N 0 0 468.598 4.632 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001456467015 1066592728 /nfs/dbraw/zinc/59/27/28/1066592728.db2.gz WYATVLYJFCWMHW-UHFFFAOYSA-N 0 0 450.336 4.537 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCc2cnn(C)n2)o1 ZINC001361248937 1066592787 /nfs/dbraw/zinc/59/27/87/1066592787.db2.gz WITYUXVGEJNERD-LJQANCHMSA-N 0 0 498.031 4.987 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CCO1 ZINC001546082667 1066592867 /nfs/dbraw/zinc/59/28/67/1066592867.db2.gz AXLSYOIJOSRRAQ-CLOONOSVSA-N 0 0 460.594 4.769 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)C(F)(F)F ZINC001361249355 1066593143 /nfs/dbraw/zinc/59/31/43/1066593143.db2.gz LKUSKPFVGDVAHV-SFHVURJKSA-N 0 0 452.502 4.981 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC001445596647 1066593193 /nfs/dbraw/zinc/59/31/93/1066593193.db2.gz ABJMPAUWFPWKNW-HSZRJFAPSA-N 0 0 452.938 4.581 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)c3ccc4[nH]cc(I)c4c3)cc2)n[nH]1 ZINC001445593217 1066593219 /nfs/dbraw/zinc/59/32/19/1066593219.db2.gz ZAVXNNICKVUTPL-UHFFFAOYSA-N 0 0 458.259 4.849 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCC2 ZINC001445593507 1066593231 /nfs/dbraw/zinc/59/32/31/1066593231.db2.gz KWXJGMMWDVBOBT-SSGKUCQKSA-N 0 0 456.627 4.518 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCC1 ZINC001456468098 1066593232 /nfs/dbraw/zinc/59/32/32/1066593232.db2.gz WWVXNIDKBJRNDM-NRFANRHFSA-N 0 0 456.562 4.906 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546082681 1066593254 /nfs/dbraw/zinc/59/32/54/1066593254.db2.gz BCTUPWRLBYDYEN-WINIVTDRSA-N 0 0 494.640 4.720 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cc3c([nH]c2=O)CCCCC3)CCC1 ZINC001456467976 1066593307 /nfs/dbraw/zinc/59/33/07/1066593307.db2.gz UUAYLPMXCYECBP-NRFANRHFSA-N 0 0 457.615 4.746 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)s1 ZINC001361249716 1066593507 /nfs/dbraw/zinc/59/35/07/1066593507.db2.gz CIDJFILIVPCMPO-RUZDIDTESA-N 0 0 454.640 4.958 20 0 JJADRN CC1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001456471627 1066593579 /nfs/dbraw/zinc/59/35/79/1066593579.db2.gz BZGDSPPXKNLTRG-FQEVSTJZSA-N 0 0 453.526 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001456473001 1066593692 /nfs/dbraw/zinc/59/36/92/1066593692.db2.gz DUDQMWBJVVYGDZ-TZIWHRDSSA-N 0 0 452.942 4.651 20 0 JJADRN CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccccc1Cl ZINC001445599806 1066593691 /nfs/dbraw/zinc/59/36/91/1066593691.db2.gz WIUYVZOBEXGICY-RBUKOAKNSA-N 0 0 454.901 4.688 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccccc3Br)c2N1 ZINC001445600587 1066594140 /nfs/dbraw/zinc/59/41/40/1066594140.db2.gz MPBIMKITLGZONT-HFBAOOFYSA-N 0 0 457.294 4.930 20 0 JJADRN CCOC(=O)C1(CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)CCC1 ZINC001445602409 1066594167 /nfs/dbraw/zinc/59/41/67/1066594167.db2.gz SANWHVCLAXLUHG-ZDUSSCGKSA-N 0 0 451.386 4.873 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCOC4(CCCC4)C3)ccc2C)c(C)c1 ZINC001445601275 1066594184 /nfs/dbraw/zinc/59/41/84/1066594184.db2.gz QRRBJLMIZRUOBG-UHFFFAOYSA-N 0 0 456.608 4.506 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001456475899 1066594125 /nfs/dbraw/zinc/59/41/25/1066594125.db2.gz ILYKAAZAZPIDRS-HTAPYJJXSA-N 0 0 453.583 4.817 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@H]2CCOC2)o1 ZINC001361249880 1066594463 /nfs/dbraw/zinc/59/44/63/1066594463.db2.gz IOMXTBMULXOWMK-KRWDZBQOSA-N 0 0 459.388 4.980 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@@H]2CCOC2)o1 ZINC001361249881 1066594493 /nfs/dbraw/zinc/59/44/93/1066594493.db2.gz IOMXTBMULXOWMK-QGZVFWFLSA-N 0 0 459.388 4.980 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCC[C@H]2C)o1 ZINC001361249975 1066595047 /nfs/dbraw/zinc/59/50/47/1066595047.db2.gz MLSXHUDOGYSMBD-BFUOFWGJSA-N 0 0 463.351 4.810 20 0 JJADRN O=C(NCC1(CO)CCCCC1)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001445613889 1066595121 /nfs/dbraw/zinc/59/51/21/1066595121.db2.gz SCJZPXHSPRDEQI-UHFFFAOYSA-N 0 0 454.368 4.732 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)(C)C)o1 ZINC001361250041 1066595787 /nfs/dbraw/zinc/59/57/87/1066595787.db2.gz OUUJFASYMOLQLN-INIZCTEOSA-N 0 0 469.655 4.974 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001456484058 1066595718 /nfs/dbraw/zinc/59/57/18/1066595718.db2.gz YRLMJOACWPFRAU-QFBILLFUSA-N 0 0 459.612 4.630 20 0 JJADRN O=C(C[C@@H]1COCCN1C(=O)c1ccccc1NCCc1ccc(Cl)cc1)c1ccco1 ZINC001445624911 1066595696 /nfs/dbraw/zinc/59/56/96/1066595696.db2.gz NZUVOHATBKMWRV-HXUWFJFHSA-N 0 0 452.938 4.702 20 0 JJADRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC001445620030 1066595786 /nfs/dbraw/zinc/59/57/86/1066595786.db2.gz FFIIEOQZBOUWHS-CQSZACIVSA-N 0 0 459.315 4.954 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC001456483598 1066595865 /nfs/dbraw/zinc/59/58/65/1066595865.db2.gz ARALCFFJMFOTHE-UHFFFAOYSA-N 0 0 454.477 4.696 20 0 JJADRN COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1S(=O)(=O)N1CCCC1 ZINC001456486498 1066596398 /nfs/dbraw/zinc/59/63/98/1066596398.db2.gz IQCKGVXJZUBUGH-UHFFFAOYSA-N 0 0 450.969 4.600 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001456486631 1066596879 /nfs/dbraw/zinc/59/68/79/1066596879.db2.gz FTRKWHCONRHANR-OAQYLSRUSA-N 0 0 452.393 4.529 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCSC2)s1 ZINC001361250488 1066597195 /nfs/dbraw/zinc/59/71/95/1066597195.db2.gz XSLKSVDBLYQGME-GOSISDBHSA-N 0 0 485.498 4.643 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001445639138 1066597485 /nfs/dbraw/zinc/59/74/85/1066597485.db2.gz QYAXRKYXNOKBPV-UHFFFAOYSA-N 0 0 459.377 4.824 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)o1 ZINC001361251059 1066597813 /nfs/dbraw/zinc/59/78/13/1066597813.db2.gz HGENBRGHCRDKNF-OAQYLSRUSA-N 0 0 463.351 4.546 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnnn2C)s1 ZINC001361250936 1066597891 /nfs/dbraw/zinc/59/78/91/1066597891.db2.gz FBUMGGOYCNHHRF-UHFFFAOYSA-N 0 0 465.627 4.553 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)=C(Br)C1)Oc1cccc(F)c1 ZINC001545977373 1066598093 /nfs/dbraw/zinc/59/80/93/1066598093.db2.gz KIFPSUDAKWKFJG-GOSISDBHSA-N 0 0 489.393 4.554 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001456491122 1066598037 /nfs/dbraw/zinc/59/80/37/1066598037.db2.gz TVJTZWPOXNAMQA-AZOUXBGGSA-N 0 0 455.643 4.535 20 0 JJADRN O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001445653185 1066598585 /nfs/dbraw/zinc/59/85/85/1066598585.db2.gz UVCVTKQEEHVUFX-HSZRJFAPSA-N 0 0 458.961 4.833 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCCC(=O)NC2CC2)s1 ZINC001361251462 1066598753 /nfs/dbraw/zinc/59/87/53/1066598753.db2.gz STJXGJHCZUGPKZ-UHFFFAOYSA-N 0 0 488.455 4.773 20 0 JJADRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001456494644 1066598776 /nfs/dbraw/zinc/59/87/76/1066598776.db2.gz PVRUBNCJGYNSDB-OAQYLSRUSA-N 0 0 458.521 4.964 20 0 JJADRN CN(CC(=O)NCC(C)(C)CCCc1ccccc1)C(=O)c1ccc(Br)s1 ZINC001456492639 1066598837 /nfs/dbraw/zinc/59/88/37/1066598837.db2.gz NBOSTSLNUCFOOI-UHFFFAOYSA-N 0 0 451.430 4.748 20 0 JJADRN COc1c(Cl)cccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001456493829 1066598960 /nfs/dbraw/zinc/59/89/60/1066598960.db2.gz AQYCXRVWBUZQOO-UHFFFAOYSA-N 0 0 458.967 4.696 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2Cc2snnc2C)s1 ZINC001361251249 1066599010 /nfs/dbraw/zinc/59/90/10/1066599010.db2.gz KOJGXITZUTZAKA-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)cc1 ZINC001445654885 1066598923 /nfs/dbraw/zinc/59/89/23/1066598923.db2.gz YCFUUKZDLVXYOY-UHFFFAOYSA-N 0 0 450.560 4.554 20 0 JJADRN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 ZINC001445654424 1066599009 /nfs/dbraw/zinc/59/90/09/1066599009.db2.gz LMBPKDBRDDJZQU-UHFFFAOYSA-N 0 0 452.457 4.954 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977498 1066599102 /nfs/dbraw/zinc/59/91/02/1066599102.db2.gz MQUFPAHWESETDD-ZVDOUQERSA-N 0 0 479.629 4.526 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)s1 ZINC001361251554 1066599374 /nfs/dbraw/zinc/59/93/74/1066599374.db2.gz WRMFJGVYMJWXBV-UHFFFAOYSA-N 0 0 455.603 4.739 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCC(CC3CCCCC3)CC1)CC2 ZINC001456495554 1066599492 /nfs/dbraw/zinc/59/94/92/1066599492.db2.gz OVMYAOCXLKIIMM-UHFFFAOYSA-N 0 0 456.627 4.578 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCc2ccc(Br)s2)o1 ZINC001361252184 1066599720 /nfs/dbraw/zinc/59/97/20/1066599720.db2.gz GUWCQAGIJZXWTE-UHFFFAOYSA-N 0 0 458.385 4.945 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc(COc3ccccc3F)on2)c1 ZINC001456496582 1066599730 /nfs/dbraw/zinc/59/97/30/1066599730.db2.gz PXBAMQQBSLVRET-UHFFFAOYSA-N 0 0 452.511 4.734 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361252538 1066599826 /nfs/dbraw/zinc/59/98/26/1066599826.db2.gz MQPRSGPUDWKEGZ-UHFFFAOYSA-N 0 0 478.597 4.842 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)s2)cc1 ZINC001456496052 1066599812 /nfs/dbraw/zinc/59/98/12/1066599812.db2.gz BKLXTTDPORJZOZ-LSDHHAIUSA-N 0 0 458.605 4.512 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@H](O)c3ccc(OC(C)C)cc3)c12 ZINC001445672688 1066600433 /nfs/dbraw/zinc/60/04/33/1066600433.db2.gz ATGIUAJGKFHOBP-QFIPXVFZSA-N 0 0 452.599 4.869 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001445674807 1066600455 /nfs/dbraw/zinc/60/04/55/1066600455.db2.gz AQTCUYLARVRJTL-SFHVURJKSA-N 0 0 451.011 4.732 20 0 JJADRN Cn1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c(-c2ccccc2Cl)n1 ZINC001456499483 1066601520 /nfs/dbraw/zinc/60/15/20/1066601520.db2.gz CEWHASXWTIMNOP-CQSZACIVSA-N 0 0 459.775 4.512 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)CC1 ZINC001456499538 1066601604 /nfs/dbraw/zinc/60/16/04/1066601604.db2.gz ZCCCTMXFTGCJJR-TYKWCNGQSA-N 0 0 458.647 4.842 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCCNC(=O)c3ccc(F)cc3)s2)cc1 ZINC001456499369 1066601684 /nfs/dbraw/zinc/60/16/84/1066601684.db2.gz KGBMKSCVQAIODK-OAHLLOKOSA-N 0 0 455.555 4.654 20 0 JJADRN CC(C)(CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1Cl ZINC001361253979 1066601855 /nfs/dbraw/zinc/60/18/55/1066601855.db2.gz LVPQICIRIBUJPK-MRXNPFEDSA-N 0 0 452.904 4.801 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC001456501167 1066602348 /nfs/dbraw/zinc/60/23/48/1066602348.db2.gz UDGMQFMNZVGTCX-QHCPKHFHSA-N 0 0 456.608 4.531 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nccs2)s1 ZINC001361254695 1066602546 /nfs/dbraw/zinc/60/25/46/1066602546.db2.gz AXBVZMDZBFBFGG-UHFFFAOYSA-N 0 0 488.683 4.904 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cn(-c3cccc(F)c3)nc2C)CC1 ZINC001445682037 1066602544 /nfs/dbraw/zinc/60/25/44/1066602544.db2.gz INRHJSKIGDLRFL-UHFFFAOYSA-N 0 0 454.571 4.538 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC001456502363 1066602795 /nfs/dbraw/zinc/60/27/95/1066602795.db2.gz GFKJLGKTPMNEHS-VWLOTQADSA-N 0 0 458.537 4.805 20 0 JJADRN CC(=O)Nc1cnccc1C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001445685037 1066602897 /nfs/dbraw/zinc/60/28/97/1066602897.db2.gz WRMYXDWNNPPUQI-LLVKDONJSA-N 0 0 459.369 4.725 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)C2)cc(OC)c1 ZINC001445683581 1066603027 /nfs/dbraw/zinc/60/30/27/1066603027.db2.gz DKHOFLIDWXDKAP-QFIPXVFZSA-N 0 0 459.546 4.673 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)s1 ZINC001361255123 1066603060 /nfs/dbraw/zinc/60/30/60/1066603060.db2.gz HMGRYTWIOMKEKP-GOSISDBHSA-N 0 0 468.671 4.541 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1cc(C)n(C2CCOCC2)c1C ZINC001456503273 1066603629 /nfs/dbraw/zinc/60/36/29/1066603629.db2.gz FZLGTRQICNZTFS-UHFFFAOYSA-N 0 0 451.430 4.913 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2ccc(Br)s2)o1 ZINC001361255689 1066603758 /nfs/dbraw/zinc/60/37/58/1066603758.db2.gz NQQGTWKCUOMDDT-OAHLLOKOSA-N 0 0 465.417 4.777 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)C2)cc(OC)c1 ZINC001445686927 1066603809 /nfs/dbraw/zinc/60/38/09/1066603809.db2.gz HYUYIAADROHQOZ-GOSISDBHSA-N 0 0 454.958 4.568 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2ccnc2C)o1 ZINC001361255894 1066604314 /nfs/dbraw/zinc/60/43/14/1066604314.db2.gz SBUNUFRFFCFDKW-UHFFFAOYSA-N 0 0 497.644 4.526 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001445690608 1066604292 /nfs/dbraw/zinc/60/42/92/1066604292.db2.gz RCWKHMUWMYYPDJ-BWKNWUBXSA-N 0 0 450.966 4.595 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)o1 ZINC001361255899 1066604421 /nfs/dbraw/zinc/60/44/21/1066604421.db2.gz SDXNDIXZSBRVFZ-MJGOQNOKSA-N 0 0 452.452 4.941 20 0 JJADRN COc1cccc([C@@H](C)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361256694 1066604990 /nfs/dbraw/zinc/60/49/90/1066604990.db2.gz FYHRFKLFIAFSDF-MWTRTKDXSA-N 0 0 457.979 4.761 20 0 JJADRN Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cnn1C(C)(C)C ZINC001361256443 1066605002 /nfs/dbraw/zinc/60/50/02/1066605002.db2.gz CERDRPXADVXABX-NRFANRHFSA-N 0 0 459.999 4.523 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc3ccncc3c2)c2ccc(Cl)cc2)c1 ZINC001361256644 1066605031 /nfs/dbraw/zinc/60/50/31/1066605031.db2.gz DYHUALJFNFXGRP-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001361256665 1066605076 /nfs/dbraw/zinc/60/50/76/1066605076.db2.gz FLDKSBZPMDTOQH-DVECYGJZSA-N 0 0 459.055 4.900 20 0 JJADRN CC[C@](O)(CCC(F)(F)F)CNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001456507941 1066605075 /nfs/dbraw/zinc/60/50/75/1066605075.db2.gz JZIRKRTWUSKMGT-AWEZNQCLSA-N 0 0 457.337 4.848 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC001445691615 1066605108 /nfs/dbraw/zinc/60/51/08/1066605108.db2.gz XBHHEGPXGSNZEA-UHFFFAOYSA-N 0 0 453.633 4.958 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)C1 ZINC001361256807 1066605653 /nfs/dbraw/zinc/60/56/53/1066605653.db2.gz GETJGQYMOBTOIJ-RLWLMLJZSA-N 0 0 452.551 4.670 20 0 JJADRN COc1cc(/C=C/C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)cc(Br)c1O ZINC001456510760 1066606291 /nfs/dbraw/zinc/60/62/91/1066606291.db2.gz MXNDQWSLNASTBK-MNQSQUENSA-N 0 0 456.336 4.644 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)o1 ZINC001361257785 1066606281 /nfs/dbraw/zinc/60/62/81/1066606281.db2.gz IGWSMLVPFQJYAH-UHFFFAOYSA-N 0 0 450.974 4.569 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001456509372 1066606377 /nfs/dbraw/zinc/60/63/77/1066606377.db2.gz DLJVIOVAEIVBBM-LYHRCORUSA-N 0 0 454.542 4.901 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001456511191 1066606960 /nfs/dbraw/zinc/60/69/60/1066606960.db2.gz YUJNQGOBRZUFMO-UHFFFAOYSA-N 0 0 457.111 4.501 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)cc1 ZINC001445705081 1066607406 /nfs/dbraw/zinc/60/74/06/1066607406.db2.gz TVIZPECTPBOPGE-ZHRRBRCNSA-N 0 0 458.990 4.658 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)c2)C1 ZINC001361258168 1066607446 /nfs/dbraw/zinc/60/74/46/1066607446.db2.gz TXYRDEGAOKBALD-QZTJIDSGSA-N 0 0 456.608 4.834 20 0 JJADRN CC(=O)c1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1C ZINC001456513017 1066607539 /nfs/dbraw/zinc/60/75/39/1066607539.db2.gz AECIMMDSEYKSNT-UHFFFAOYSA-N 0 0 450.579 4.896 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccccc2CN2CCCC2=O)s1 ZINC001361258364 1066607592 /nfs/dbraw/zinc/60/75/92/1066607592.db2.gz TZABTMGNFWHPAX-UHFFFAOYSA-N 0 0 451.640 4.654 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(F)cc3)n2Cc2cc(COC(C)(C)C)on2)o1 ZINC001361258291 1066607632 /nfs/dbraw/zinc/60/76/32/1066607632.db2.gz RIJFQTAKMYVBDC-UHFFFAOYSA-N 0 0 467.545 4.897 20 0 JJADRN CCC(CC)(CC(=O)OC)NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC001361258551 1066608444 /nfs/dbraw/zinc/60/84/44/1066608444.db2.gz XXZDBYNCWPWEBJ-UHFFFAOYSA-N 0 0 451.361 4.583 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC001445715650 1066609072 /nfs/dbraw/zinc/60/90/72/1066609072.db2.gz VYMNLIKTRUFXSP-OAHLLOKOSA-N 0 0 452.839 4.897 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)c1 ZINC001445715612 1066609087 /nfs/dbraw/zinc/60/90/87/1066609087.db2.gz NJVRBMDJBGTEGJ-UHFFFAOYSA-N 0 0 451.748 4.606 20 0 JJADRN CC1(C)C[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccccc2O1 ZINC001445715798 1066609116 /nfs/dbraw/zinc/60/91/16/1066609116.db2.gz XZCZMYNRNAFOBJ-GDBMZVCRSA-N 0 0 453.892 4.794 20 0 JJADRN COC(=O)c1cccc(NC2CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)c1 ZINC001445714971 1066609158 /nfs/dbraw/zinc/60/91/58/1066609158.db2.gz IMQUXJFTZCEFFR-UHFFFAOYSA-N 0 0 453.539 4.537 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)c12 ZINC001445713197 1066609245 /nfs/dbraw/zinc/60/92/45/1066609245.db2.gz QVLFRYBWWQTWSS-MRXNPFEDSA-N 0 0 455.006 4.675 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC001445711243 1066609265 /nfs/dbraw/zinc/60/92/65/1066609265.db2.gz KNEUHJCGDPXAOO-OAHLLOKOSA-N 0 0 459.333 4.551 20 0 JJADRN CC/C(=C/C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC)cc1 ZINC001445712426 1066609283 /nfs/dbraw/zinc/60/92/83/1066609283.db2.gz NSHSGEAVEOFVLQ-QXSWTLKVSA-N 0 0 453.892 4.951 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CC2CN(C(=O)OC(C)(C)C)C2)s1 ZINC001361258863 1066609153 /nfs/dbraw/zinc/60/91/53/1066609153.db2.gz HPPMFEPHRBFTMK-UHFFFAOYSA-N 0 0 473.668 4.804 20 0 JJADRN Cn1ncc(C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)c1Br ZINC001456518229 1066609736 /nfs/dbraw/zinc/60/97/36/1066609736.db2.gz LGRULKUCXUYFKI-UHFFFAOYSA-N 0 0 456.325 4.746 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1noc(C)n1 ZINC001456516618 1066609845 /nfs/dbraw/zinc/60/98/45/1066609845.db2.gz GFKAIBGGSHFVGD-FQEVSTJZSA-N 0 0 456.930 4.666 20 0 JJADRN COc1ccccc1CSc1ccccc1NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001445717630 1066609944 /nfs/dbraw/zinc/60/99/44/1066609944.db2.gz CUAZFDWDCKJJJA-UHFFFAOYSA-N 0 0 458.580 4.562 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)N(C)C)s1 ZINC001361259223 1066609860 /nfs/dbraw/zinc/60/98/60/1066609860.db2.gz VLNUVJLSEZJNGV-QFIPXVFZSA-N 0 0 482.604 4.851 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718673 1066610418 /nfs/dbraw/zinc/61/04/18/1066610418.db2.gz HGIHTOLJZUQGHK-VGOFRKELSA-N 0 0 456.558 4.928 20 0 JJADRN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001445719108 1066610437 /nfs/dbraw/zinc/61/04/37/1066610437.db2.gz KDECKJZRPRHZOQ-QFIPXVFZSA-N 0 0 450.560 4.530 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CCO1 ZINC001546083025 1066611009 /nfs/dbraw/zinc/61/10/09/1066611009.db2.gz HWKAVVMILYBNKS-AFWDCEBSSA-N 0 0 486.588 4.680 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccccc21 ZINC001445722645 1066611017 /nfs/dbraw/zinc/61/10/17/1066611017.db2.gz UFPNDUAYUGNLBL-CTNGQTDRSA-N 0 0 451.567 4.518 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456519761 1066611121 /nfs/dbraw/zinc/61/11/21/1066611121.db2.gz OTHCNPJSWFULRL-ARNLJNQMSA-N 0 0 469.553 4.994 20 0 JJADRN COc1cccc2c1CC[C@H]2NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC001445719450 1066611126 /nfs/dbraw/zinc/61/11/26/1066611126.db2.gz LYBNUVNZRSCHGP-HSZRJFAPSA-N 0 0 450.560 4.530 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)c2ccccc21 ZINC001445722230 1066611188 /nfs/dbraw/zinc/61/11/88/1066611188.db2.gz XRSQVNQERQSTKY-LJQANCHMSA-N 0 0 457.615 4.507 20 0 JJADRN COc1ccc(N(C)C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)cc1Cl ZINC001445719750 1066611245 /nfs/dbraw/zinc/61/12/45/1066611245.db2.gz JGQVDNUDQSQTST-UHFFFAOYSA-N 0 0 457.017 4.688 20 0 JJADRN O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1Br ZINC001445719449 1066611257 /nfs/dbraw/zinc/61/12/57/1066611257.db2.gz IOHGMWBVHGDQOD-SFHVURJKSA-N 0 0 454.242 4.964 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001456521311 1066611609 /nfs/dbraw/zinc/61/16/09/1066611609.db2.gz WVARIIQVFQPLCX-XNMGPUDCSA-N 0 0 456.586 4.761 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546083032 1066611664 /nfs/dbraw/zinc/61/16/64/1066611664.db2.gz HWOYWCZBOQMAIX-XXBNENTESA-N 0 0 483.579 4.534 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 ZINC001546083026 1066611708 /nfs/dbraw/zinc/61/17/08/1066611708.db2.gz HWKAVVMILYBNKS-BAEUJYSMSA-N 0 0 486.588 4.680 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)s1 ZINC001361261113 1066611614 /nfs/dbraw/zinc/61/16/14/1066611614.db2.gz HVKQMBQZXHSFFB-UHFFFAOYSA-N 0 0 497.448 4.712 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCC2)s1 ZINC001361261246 1066612432 /nfs/dbraw/zinc/61/24/32/1066612432.db2.gz MDUGQZNUZTXEGE-IFMALSPDSA-N 0 0 473.687 4.606 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ncc(C)s2)s1 ZINC001361261260 1066612440 /nfs/dbraw/zinc/61/24/40/1066612440.db2.gz MQQICCHIHHNVDF-CQSZACIVSA-N 0 0 486.692 4.845 20 0 JJADRN CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cccc(Cl)c2F)n1 ZINC001456524692 1066612904 /nfs/dbraw/zinc/61/29/04/1066612904.db2.gz NUEFMFCNAMQITJ-QSVWGWLCSA-N 0 0 451.007 4.903 20 0 JJADRN Cc1nc2cc(NC(=O)c3ccccc3N(C)C(=O)c3ccc(Br)o3)ccc2[nH]1 ZINC001445733923 1066612917 /nfs/dbraw/zinc/61/29/17/1066612917.db2.gz ASLVQTKUNHBUCO-UHFFFAOYSA-N 0 0 453.296 4.756 20 0 JJADRN O=C(CCCCc1nc2ccccc2s1)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445734312 1066613010 /nfs/dbraw/zinc/61/30/10/1066613010.db2.gz DFSHNORAVHECHS-MRXNPFEDSA-N 0 0 450.526 4.995 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@@H](O)c1ccccc1Cl ZINC001445737543 1066613040 /nfs/dbraw/zinc/61/30/40/1066613040.db2.gz AZJDZYQXICZIAG-FGZHOGPDSA-N 0 0 457.357 4.704 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3sc(-c4ccccc4F)nc3C)C2)cc(OC)c1 ZINC001445736683 1066613083 /nfs/dbraw/zinc/61/30/83/1066613083.db2.gz XVUUYRAAUKVKCE-MRXNPFEDSA-N 0 0 455.555 4.992 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C ZINC001456526816 1066613622 /nfs/dbraw/zinc/61/36/22/1066613622.db2.gz IGVRLFLPRDZNGU-UHFFFAOYSA-N 0 0 457.600 4.857 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 ZINC001546083080 1066613657 /nfs/dbraw/zinc/61/36/57/1066613657.db2.gz ILTXMAWGAATMCI-PISWEHOVSA-N 0 0 460.594 4.504 20 0 JJADRN O=C(NCC[C@@H]1CCCC[C@@H]1O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001456527197 1066613720 /nfs/dbraw/zinc/61/37/20/1066613720.db2.gz SIFJAPYMDFYVSR-JSGCOSHPSA-N 0 0 465.850 4.850 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC001361261584 1066613669 /nfs/dbraw/zinc/61/36/69/1066613669.db2.gz UMQNBCSEFWJGED-WMZOPIPTSA-N 0 0 469.577 4.776 20 0 JJADRN C[C@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC001445738388 1066613747 /nfs/dbraw/zinc/61/37/47/1066613747.db2.gz TZUBUTLODVIRMI-UZQPLGKSSA-N 0 0 458.327 4.947 20 0 JJADRN Cc1cc(CCC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)ccc1Br ZINC001445743946 1066613759 /nfs/dbraw/zinc/61/37/59/1066613759.db2.gz MIVMHBPSHIBSTL-INIZCTEOSA-N 0 0 458.318 4.676 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)s1 ZINC001361261693 1066614110 /nfs/dbraw/zinc/61/41/10/1066614110.db2.gz HFIRCRPCNFYCMO-UHFFFAOYSA-N 0 0 469.998 4.856 20 0 JJADRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001445754869 1066614483 /nfs/dbraw/zinc/61/44/83/1066614483.db2.gz SODXDJVMTVMJJM-UHFFFAOYSA-N 0 0 457.182 4.896 20 0 JJADRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001445752322 1066614618 /nfs/dbraw/zinc/61/46/18/1066614618.db2.gz RAEAXOOCLKZYGG-UHFFFAOYSA-N 0 0 459.367 4.983 20 0 JJADRN Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)ccc2[nH]1 ZINC001445755518 1066614634 /nfs/dbraw/zinc/61/46/34/1066614634.db2.gz YCVONXUGMSGZHY-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1[nH]c2ccccc2c1Br ZINC001445748138 1066614679 /nfs/dbraw/zinc/61/46/79/1066614679.db2.gz OHKIWMOZFQHWAM-GFCCVEGCSA-N 0 0 455.274 4.530 20 0 JJADRN COc1ccccc1-n1c2ccccc2nc1NC(=O)COc1ccc(Br)cc1 ZINC001456531321 1066615054 /nfs/dbraw/zinc/61/50/54/1066615054.db2.gz RRSZJNNXLJJLIM-UHFFFAOYSA-N 0 0 452.308 4.814 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NC[C@@H](O)COc1ccc(F)cc1)c(C)n2C1CCCCC1 ZINC001445774524 1066615183 /nfs/dbraw/zinc/61/51/83/1066615183.db2.gz AFVZERFRPZIHIQ-HXUWFJFHSA-N 0 0 454.542 4.772 20 0 JJADRN O=C(NC[C@@H](O)C1CCCCC1)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC001445777792 1066615797 /nfs/dbraw/zinc/61/57/97/1066615797.db2.gz KHAPFGVVHIXTJG-OAQYLSRUSA-N 0 0 454.368 4.730 20 0 JJADRN O=C(c1ccn2cc(C(F)(F)F)nc2c1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456534153 1066616229 /nfs/dbraw/zinc/61/62/29/1066616229.db2.gz ZJJGPRPSLGQQIB-MRXNPFEDSA-N 0 0 452.274 4.963 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cnc3OCC3CC3)cc2)nn1 ZINC001456535440 1066616254 /nfs/dbraw/zinc/61/62/54/1066616254.db2.gz MJFFBYBLUFUYNQ-UHFFFAOYSA-N 0 0 455.312 4.776 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1C ZINC001456537097 1066616677 /nfs/dbraw/zinc/61/66/77/1066616677.db2.gz SPGZTYWVQFHBDP-UHFFFAOYSA-N 0 0 454.303 4.735 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361263406 1066616756 /nfs/dbraw/zinc/61/67/56/1066616756.db2.gz AMMMBHSUIWWLJS-KXBFYZLASA-N 0 0 493.555 4.721 20 0 JJADRN COc1ccc(COCCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC001456537329 1066617370 /nfs/dbraw/zinc/61/73/70/1066617370.db2.gz VXULYUWPYYILNP-UHFFFAOYSA-N 0 0 459.521 4.910 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC001361264693 1066617447 /nfs/dbraw/zinc/61/74/47/1066617447.db2.gz RDKGJNZMGKRHQP-QGZVFWFLSA-N 0 0 450.484 4.954 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)c(OCC(F)(F)F)c1 ZINC001361264770 1066617467 /nfs/dbraw/zinc/61/74/67/1066617467.db2.gz UPAKSNJJYBEXDO-UHFFFAOYSA-N 0 0 493.574 4.681 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H]1c1cccc(C)c1 ZINC001456537450 1066617966 /nfs/dbraw/zinc/61/79/66/1066617966.db2.gz WVBWJVXDODWMEI-UNMCSNQZSA-N 0 0 455.396 4.515 20 0 JJADRN Cc1cc([C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)c2ccccc2Cl)ccc1F ZINC001361265791 1066618057 /nfs/dbraw/zinc/61/80/57/1066618057.db2.gz RQVGBBPIWNXEKR-QHCPKHFHSA-N 0 0 451.929 4.938 20 0 JJADRN CCn1cc(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c2ccccc21 ZINC001456538036 1066618106 /nfs/dbraw/zinc/61/81/06/1066618106.db2.gz COKCCQYVOSHPNW-UHFFFAOYSA-N 0 0 456.262 4.941 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CCO1 ZINC001546083186 1066618651 /nfs/dbraw/zinc/61/86/51/1066618651.db2.gz JUDBCBOBMMKHGQ-MWTRTKDXSA-N 0 0 459.591 4.684 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)/C=C/c3cnc(C(C)(C)C)s3)ccc2C)ccn1 ZINC001361266375 1066618567 /nfs/dbraw/zinc/61/85/67/1066618567.db2.gz SYVGODZBPNEWAY-CMDGGOBGSA-N 0 0 450.564 4.948 20 0 JJADRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1sccc1S(=O)(=O)N1CCCC1 ZINC001456540099 1066619235 /nfs/dbraw/zinc/61/92/35/1066619235.db2.gz FWHOPCPVISSQTI-UHFFFAOYSA-N 0 0 456.589 4.502 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C)C2)cn1 ZINC001361266769 1066619321 /nfs/dbraw/zinc/61/93/21/1066619321.db2.gz FSRZLGGUQMYHKW-RTBURBONSA-N 0 0 455.990 4.665 20 0 JJADRN C[C@H]1Cc2cc(NC(=O)c3ccccc3N(C)C(=O)c3ccc(Br)o3)ccc2O1 ZINC001456540275 1066619373 /nfs/dbraw/zinc/61/93/73/1066619373.db2.gz PELWEGHLEYAATA-ZDUSSCGKSA-N 0 0 455.308 4.894 20 0 JJADRN C[C@H](CC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445795436 1066619273 /nfs/dbraw/zinc/61/92/73/1066619273.db2.gz GESACJDKRMBMOJ-PZPWOCDFSA-N 0 0 456.986 4.691 20 0 JJADRN COc1cc(/C=C(/C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c2ccccc2)ccc1O ZINC001445797444 1066619290 /nfs/dbraw/zinc/61/92/90/1066619290.db2.gz HNUNMRHKDJKFCL-OBFRGKJSSA-N 0 0 455.913 4.972 20 0 JJADRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445795321 1066619304 /nfs/dbraw/zinc/61/93/04/1066619304.db2.gz FXTNFVOQHIUHOQ-NYSBEXSLSA-N 0 0 451.394 4.685 20 0 JJADRN C[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)[C@H](O)c1c(F)cccc1Cl ZINC001445796384 1066619379 /nfs/dbraw/zinc/61/93/79/1066619379.db2.gz HBBXZIAIOCZION-YUNKPMOVSA-N 0 0 456.739 4.833 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3C[C@@]3(C)c3cccc(Br)c3)CC2)cc1 ZINC001456540625 1066619789 /nfs/dbraw/zinc/61/97/89/1066619789.db2.gz VKZRZDVYDSEFRU-QPPBQGQZSA-N 0 0 456.380 4.857 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1OC ZINC001361267389 1066619909 /nfs/dbraw/zinc/61/99/09/1066619909.db2.gz KLWDQGPXEUWELS-BXKMTCNYSA-N 0 0 453.560 4.565 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001456541478 1066619910 /nfs/dbraw/zinc/61/99/10/1066619910.db2.gz HGBRZUSOMVFFRJ-INIZCTEOSA-N 0 0 454.409 4.627 20 0 JJADRN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3C[C@]3(C)c3cccc(Br)c3)CC2)cc1 ZINC001456540633 1066619941 /nfs/dbraw/zinc/61/99/41/1066619941.db2.gz VKZRZDVYDSEFRU-ZJSXRUAMSA-N 0 0 456.380 4.857 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NC[C@H](O)c1ccccc1C(F)(F)F ZINC001445799891 1066619929 /nfs/dbraw/zinc/61/99/29/1066619929.db2.gz JPIIVZNADCGRLG-SFHVURJKSA-N 0 0 454.901 4.798 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC001445797911 1066619974 /nfs/dbraw/zinc/61/99/74/1066619974.db2.gz GXAXXWUVWHETNP-OAQYLSRUSA-N 0 0 454.452 4.600 20 0 JJADRN Cc1cc(C(=O)NC[C@@H](O)COCC2CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001445797506 1066620048 /nfs/dbraw/zinc/62/00/48/1066620048.db2.gz IYFDXIMESWNSRH-DNVCBOLYSA-N 0 0 451.394 4.992 20 0 JJADRN COc1cccc([C@@H](O)CNC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)c1 ZINC001445800310 1066620585 /nfs/dbraw/zinc/62/05/85/1066620585.db2.gz NFLGTMLKKWVDPL-FQEVSTJZSA-N 0 0 455.352 4.655 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@H](O)c1c(F)cccc1F ZINC001445802140 1066620747 /nfs/dbraw/zinc/62/07/47/1066620747.db2.gz JOZQXFKJQGJVNU-UTKZUKDTSA-N 0 0 456.518 4.700 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCOC(C)(C)[C@H]2C)c(F)c1 ZINC001361268022 1066620775 /nfs/dbraw/zinc/62/07/75/1066620775.db2.gz GSLLPOFGTMHIOT-OAHLLOKOSA-N 0 0 476.394 4.546 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(Cc2ccco2)C(C)C)cn1 ZINC001361268269 1066621356 /nfs/dbraw/zinc/62/13/56/1066621356.db2.gz IUQWSUGUCYCXLV-UHFFFAOYSA-N 0 0 469.387 4.806 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ccc(COCc3ccccc3)cc2)CCCOC1 ZINC001456544142 1066621378 /nfs/dbraw/zinc/62/13/78/1066621378.db2.gz QPRJVGIRBHROBJ-SANMLTNESA-N 0 0 454.567 4.663 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001456544963 1066621424 /nfs/dbraw/zinc/62/14/24/1066621424.db2.gz MWQMKNFUEFIHSY-LJQANCHMSA-N 0 0 458.400 4.534 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445807304 1066621383 /nfs/dbraw/zinc/62/13/83/1066621383.db2.gz DTXRJBZYHNXTPK-SMLAHSFLSA-N 0 0 457.398 4.591 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OCC(C)C)C2)cc1 ZINC001361268274 1066621416 /nfs/dbraw/zinc/62/14/16/1066621416.db2.gz IZEIWJUGPUXKJE-LJQANCHMSA-N 0 0 458.404 4.644 20 0 JJADRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1c(Cl)cccc1Br ZINC001445807421 1066621863 /nfs/dbraw/zinc/62/18/63/1066621863.db2.gz QPEXNJDXLJSLMJ-VIFPVBQESA-N 0 0 453.547 4.579 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001445809906 1066621888 /nfs/dbraw/zinc/62/18/88/1066621888.db2.gz ANYUWHUTHWBYQJ-GGUMNFRJSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001361268733 1066621794 /nfs/dbraw/zinc/62/17/94/1066621794.db2.gz WOZBQJUDRKHURS-IKGGRYGDSA-N 0 0 497.086 4.748 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@H](C)OC(C)(C)C2)cn1 ZINC001361268654 1066621867 /nfs/dbraw/zinc/62/18/67/1066621867.db2.gz OBACJXMTTYXHKG-HNNXBMFYSA-N 0 0 474.378 4.602 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CCCCC[C@H]2c2ccco2)nnc1-c1ccccc1 ZINC001456545886 1066621893 /nfs/dbraw/zinc/62/18/93/1066621893.db2.gz LRQSTYOEGXLMFU-ICSRJNTNSA-N 0 0 454.596 4.982 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C(C)(C)C)C2)c(F)c1 ZINC001361268712 1066621907 /nfs/dbraw/zinc/62/19/07/1066621907.db2.gz OWLYWLNIQPUANE-IBGZPJMESA-N 0 0 476.394 4.783 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](OCC(C)C)C2)c(F)c1 ZINC001361269060 1066622609 /nfs/dbraw/zinc/62/26/09/1066622609.db2.gz WDDGROZYMJNAQY-IBGZPJMESA-N 0 0 490.421 4.793 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)cn1 ZINC001361269018 1066622616 /nfs/dbraw/zinc/62/26/16/1066622616.db2.gz ZGBIEHXVKUJISJ-GCJKJVERSA-N 0 0 455.603 4.887 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC(c3ccccc3F)CC2)CC1 ZINC001456547580 1066622573 /nfs/dbraw/zinc/62/25/73/1066622573.db2.gz HMEXXJKSIPPQAB-UHFFFAOYSA-N 0 0 458.961 4.746 20 0 JJADRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001456550300 1066622867 /nfs/dbraw/zinc/62/28/67/1066622867.db2.gz HGGVHWLIBITPHF-SFTDATJTSA-N 0 0 456.048 4.870 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001456551522 1066622951 /nfs/dbraw/zinc/62/29/51/1066622951.db2.gz BMHAJHVSWORCOW-UHFFFAOYSA-N 0 0 455.274 4.714 20 0 JJADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361269129 1066622999 /nfs/dbraw/zinc/62/29/99/1066622999.db2.gz YXNVPDFKUORBHK-GOSISDBHSA-N 0 0 497.562 4.625 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445817190 1066623075 /nfs/dbraw/zinc/62/30/75/1066623075.db2.gz YEZOOUOCQXQAPU-BLVKFPJESA-N 0 0 454.354 4.516 20 0 JJADRN CSc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1Cl ZINC001361269512 1066623635 /nfs/dbraw/zinc/62/36/35/1066623635.db2.gz KISUIWLMNYOSRW-GJZGRUSLSA-N 0 0 453.029 4.981 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3ncccc3Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361269759 1066623683 /nfs/dbraw/zinc/62/36/83/1066623683.db2.gz CSRVWRPPVKTWAQ-RYUDHWBXSA-N 0 0 458.278 4.729 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)CCc3cccc4c3OCO4)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361269756 1066623729 /nfs/dbraw/zinc/62/37/29/1066623729.db2.gz CSRLBBALICMOTG-GASCZTMLSA-N 0 0 450.457 4.619 20 0 JJADRN CSc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1Cl ZINC001361269513 1066623744 /nfs/dbraw/zinc/62/37/44/1066623744.db2.gz KISUIWLMNYOSRW-HUUCEWRRSA-N 0 0 453.029 4.981 20 0 JJADRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001361269635 1066623840 /nfs/dbraw/zinc/62/38/40/1066623840.db2.gz CTCSGRACJVFFPY-UHFFFAOYSA-N 0 0 452.274 4.985 20 0 JJADRN C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H](O)c1c(F)cccc1Cl ZINC001445820536 1066623920 /nfs/dbraw/zinc/62/39/20/1066623920.db2.gz ZXUKGQDPFVDAQR-BMSCFWOVSA-N 0 0 458.608 4.650 20 0 JJADRN CO[C@](C)(C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccccc1F ZINC001361270292 1066624173 /nfs/dbraw/zinc/62/41/73/1066624173.db2.gz GXRWJCRTTLFKOO-HLFMIMNKSA-N 0 0 454.464 4.958 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001361270856 1066624184 /nfs/dbraw/zinc/62/41/84/1066624184.db2.gz OMIYTINRZPONHS-NHTMILBNSA-N 0 0 450.579 4.837 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)CC1 ZINC001456556861 1066624223 /nfs/dbraw/zinc/62/42/23/1066624223.db2.gz SWVCYKORIGZGSK-UHFFFAOYSA-N 0 0 457.796 4.634 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001445827432 1066624351 /nfs/dbraw/zinc/62/43/51/1066624351.db2.gz SCTBFWARGIYQPD-RTBURBONSA-N 0 0 455.640 4.660 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001445829868 1066624390 /nfs/dbraw/zinc/62/43/90/1066624390.db2.gz UPILHUPKKCPCRU-INIZCTEOSA-N 0 0 454.493 4.704 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)c1 ZINC001456557498 1066624303 /nfs/dbraw/zinc/62/43/03/1066624303.db2.gz IHLNMJBFSANHRB-UHFFFAOYSA-N 0 0 455.356 4.644 20 0 JJADRN CCn1c(C)cc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)c1C ZINC001456559429 1066624829 /nfs/dbraw/zinc/62/48/29/1066624829.db2.gz AHCCXGRVYCXQJP-OAQYLSRUSA-N 0 0 450.364 4.967 20 0 JJADRN CCOc1cc(CCCNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)ccc1OC ZINC001456560499 1066624953 /nfs/dbraw/zinc/62/49/53/1066624953.db2.gz ARIBKBVJXDFCGP-UHFFFAOYSA-N 0 0 455.986 4.972 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(F)F)CC2)s1 ZINC001361271805 1066624905 /nfs/dbraw/zinc/62/49/05/1066624905.db2.gz BYXKLAWBAZAVOZ-UHFFFAOYSA-N 0 0 482.398 4.513 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCCCc3ccccc3)CC2)c(C)c1 ZINC001361271205 1066624926 /nfs/dbraw/zinc/62/49/26/1066624926.db2.gz PVLUOICQJKILNA-UHFFFAOYSA-N 0 0 456.652 4.542 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(OCCC(C)C)CC2)c(=O)n1C ZINC001361271955 1066625417 /nfs/dbraw/zinc/62/54/17/1066625417.db2.gz GRXUSAFJUJLLPT-UHFFFAOYSA-N 0 0 484.044 4.685 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC001361271959 1066625473 /nfs/dbraw/zinc/62/54/73/1066625473.db2.gz BPZONVZMEZGSOP-HXUWFJFHSA-N 0 0 455.558 4.656 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)CCc2c(C)nn(CC(C)C)c2C)n1 ZINC001361272008 1066625565 /nfs/dbraw/zinc/62/55/65/1066625565.db2.gz CODCAJSGLPELPU-UHFFFAOYSA-N 0 0 459.978 4.620 20 0 JJADRN Cc1cccc([C@@H](CC(=O)N2CC3(CCCC3)c3cc(Br)ccc32)NC(N)=O)c1 ZINC001445849025 1066626358 /nfs/dbraw/zinc/62/63/58/1066626358.db2.gz GSDUUIHLLQLFKH-LJQANCHMSA-N 0 0 456.384 4.716 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(OC)c1OCc1ccccc1 ZINC001445852222 1066626453 /nfs/dbraw/zinc/62/64/53/1066626453.db2.gz AHZHNLYFBNXFML-HXOBKFHXSA-N 0 0 453.560 4.947 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CCc2cccs2)s1 ZINC001361272351 1066626814 /nfs/dbraw/zinc/62/68/14/1066626814.db2.gz FVMYKCFTHRCMSH-UHFFFAOYSA-N 0 0 472.661 4.507 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cn1 ZINC001361272304 1066626830 /nfs/dbraw/zinc/62/68/30/1066626830.db2.gz FBCXNIAPZMHVHI-DEOSSOPVSA-N 0 0 474.653 4.735 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCS(C)(=O)=O)s1 ZINC001361272337 1066626859 /nfs/dbraw/zinc/62/68/59/1066626859.db2.gz FLSVVRRQQFFJGZ-UHFFFAOYSA-N 0 0 460.669 4.532 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)C2CCCCC2)cn1 ZINC001361272770 1066627546 /nfs/dbraw/zinc/62/75/46/1066627546.db2.gz KSJVJMXOIVDGAF-IBGZPJMESA-N 0 0 467.639 4.505 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)F)c(O[C@H]2CCOC2)c1 ZINC001361272759 1066627664 /nfs/dbraw/zinc/62/76/64/1066627664.db2.gz PKBYJVCBMDCDJV-SFHVURJKSA-N 0 0 477.943 4.609 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H](c2ccsc2)O1 ZINC001445860970 1066627797 /nfs/dbraw/zinc/62/77/97/1066627797.db2.gz WZMASQNVTMTWGT-DNVCBOLYSA-N 0 0 450.398 4.547 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546083376 1066627825 /nfs/dbraw/zinc/62/78/25/1066627825.db2.gz MOMOKVBVLATHKK-LPHOPBHVSA-N 0 0 491.352 4.680 20 0 JJADRN CC(C)C(NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)C(C)C ZINC001445860523 1066627927 /nfs/dbraw/zinc/62/79/27/1066627927.db2.gz ISEJZOXHRQAIBF-UHFFFAOYSA-N 0 0 453.402 4.660 20 0 JJADRN C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)n1 ZINC001445860607 1066627942 /nfs/dbraw/zinc/62/79/42/1066627942.db2.gz BTYOEOWMBYTRBE-YADARESESA-N 0 0 454.530 4.698 20 0 JJADRN C[C@@]1(c2ccccc2)CN(C(=O)Cc2ccc(Br)c(Br)c2)CCO1 ZINC001445866858 1066628522 /nfs/dbraw/zinc/62/85/22/1066628522.db2.gz LXAFHJPJMAUSCL-IBGZPJMESA-N 0 0 453.174 4.528 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361273279 1066628897 /nfs/dbraw/zinc/62/88/97/1066628897.db2.gz XJQOVIVGMQIQOJ-ABAIWWIYSA-N 0 0 457.909 4.568 20 0 JJADRN Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(OCCN(C)C(=O)OC(C)(C)C)c2)n1 ZINC001445878969 1066629569 /nfs/dbraw/zinc/62/95/69/1066629569.db2.gz KGUJLDVZZVCLMD-UHFFFAOYSA-N 0 0 450.539 4.883 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 ZINC001361273286 1066629594 /nfs/dbraw/zinc/62/95/94/1066629594.db2.gz XJQOVIVGMQIQOJ-IAQYHMDHSA-N 0 0 457.909 4.568 20 0 JJADRN C[C@@H]1CN(C(=O)c2nscc2Br)c2ccccc2N(Cc2ccccc2)C1=O ZINC001361273620 1066630292 /nfs/dbraw/zinc/63/02/92/1066630292.db2.gz SZNFCTAGVVTQMR-CQSZACIVSA-N 0 0 456.365 4.735 20 0 JJADRN CC(C)COc1cc(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001456577772 1066630378 /nfs/dbraw/zinc/63/03/78/1066630378.db2.gz YFRHOFBGMVQWRD-CQSZACIVSA-N 0 0 455.393 4.925 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cn1 ZINC001361274307 1066630771 /nfs/dbraw/zinc/63/07/71/1066630771.db2.gz CRCDHRPOHCJZFK-ICSRJNTNSA-N 0 0 480.588 4.575 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)cn1 ZINC001361274269 1066630802 /nfs/dbraw/zinc/63/08/02/1066630802.db2.gz BLHBVNAVHDICBQ-UHFFFAOYSA-N 0 0 480.588 4.577 20 0 JJADRN CCCC[C@H](COC)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC001456580634 1066630832 /nfs/dbraw/zinc/63/08/32/1066630832.db2.gz ARFUAZYXIJTHNR-DSBYRVASSA-N 0 0 452.595 4.809 20 0 JJADRN O=C(Nc1ccc(Br)c(I)c1)c1cnc2ccsc2c1 ZINC001361274607 1066631694 /nfs/dbraw/zinc/63/16/94/1066631694.db2.gz KVICOENRZBNICP-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC001456581580 1066631614 /nfs/dbraw/zinc/63/16/14/1066631614.db2.gz AHHOXDNHIGQVHT-AKAXFMLLSA-N 0 0 455.368 4.556 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)s1 ZINC001361275081 1066632196 /nfs/dbraw/zinc/63/21/96/1066632196.db2.gz NHFNFRSVLFVZCX-MRXNPFEDSA-N 0 0 471.602 4.948 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)C1 ZINC001456583071 1066632202 /nfs/dbraw/zinc/63/22/02/1066632202.db2.gz GPUMDCFVFZWDBV-VWLOTQADSA-N 0 0 459.537 4.613 20 0 JJADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Br)cs2)cn1 ZINC001361275383 1066632751 /nfs/dbraw/zinc/63/27/51/1066632751.db2.gz QVIYMYFWEVRYLF-UHFFFAOYSA-N 0 0 455.385 4.552 20 0 JJADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361276276 1066633566 /nfs/dbraw/zinc/63/35/66/1066633566.db2.gz ACZATNPHUCGJHH-UZLBHIALSA-N 0 0 476.547 4.991 20 0 JJADRN CCCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586048 1066633711 /nfs/dbraw/zinc/63/37/11/1066633711.db2.gz HRHYGGQIKNOEOQ-HSSYKCERSA-N 0 0 451.586 4.976 20 0 JJADRN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)cc3c2C1 ZINC001456586211 1066633793 /nfs/dbraw/zinc/63/37/93/1066633793.db2.gz BDHQPWCTYHQZKX-AWEZNQCLSA-N 0 0 457.571 4.761 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586066 1066633802 /nfs/dbraw/zinc/63/38/02/1066633802.db2.gz HRHYGGQIKNOEOQ-YEOHHKNVSA-N 0 0 451.586 4.976 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C)CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC001361276337 1066634041 /nfs/dbraw/zinc/63/40/41/1066634041.db2.gz CKVVSKYSFKKUMJ-SJORKVTESA-N 0 0 460.504 4.658 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445916015 1066634390 /nfs/dbraw/zinc/63/43/90/1066634390.db2.gz AJDMBQVMPZAWRP-OXJNMPFZSA-N 0 0 459.892 4.609 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCC[C@@H](CC)C3)c2)cc1 ZINC001456588322 1066634337 /nfs/dbraw/zinc/63/43/37/1066634337.db2.gz DSRLMKWSQZUEQJ-UXHICEINSA-N 0 0 458.624 4.917 20 0 JJADRN CC(C)(C)[S@@](=O)CCNC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001456588017 1066634425 /nfs/dbraw/zinc/63/44/25/1066634425.db2.gz DEKCMSDWRPIECK-LJAQVGFWSA-N 0 0 452.407 4.674 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361277519 1066634880 /nfs/dbraw/zinc/63/48/80/1066634880.db2.gz WSESGQKUHKDLCI-FPOVZHCZSA-N 0 0 464.614 4.760 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c(C)c1 ZINC001361277806 1066635402 /nfs/dbraw/zinc/63/54/02/1066635402.db2.gz FVSLCRCVYPLPNI-HXUWFJFHSA-N 0 0 459.516 4.861 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(C)(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361277605 1066635455 /nfs/dbraw/zinc/63/54/55/1066635455.db2.gz YCFUETBWHKLGFD-GOSISDBHSA-N 0 0 474.531 4.905 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1 ZINC001492598380 1066635987 /nfs/dbraw/zinc/63/59/87/1066635987.db2.gz KSEXPUMFNLFYAV-UHFFFAOYSA-N 0 0 456.541 4.925 20 0 JJADRN Cc1ccc(Cn2c(C3CC3)nnc2N(CCO)Cc2ccc(Br)s2)c(C)c1 ZINC001361278329 1066636062 /nfs/dbraw/zinc/63/60/62/1066636062.db2.gz UFZIKQAOKONKHO-UHFFFAOYSA-N 0 0 461.429 4.644 20 0 JJADRN Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)CC(C)(C)C)c(OCC(F)(F)F)c1 ZINC001361278327 1066636113 /nfs/dbraw/zinc/63/61/13/1066636113.db2.gz UELVURSDQRTGLA-UHFFFAOYSA-N 0 0 493.530 4.786 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445929754 1066636211 /nfs/dbraw/zinc/63/62/11/1066636211.db2.gz ZJLQDJKUKZFHEE-HNNXBMFYSA-N 0 0 452.860 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NC[C@@H]2SCCc3ccccc32)(c2ccccc2)C1 ZINC001361279445 1066636693 /nfs/dbraw/zinc/63/66/93/1066636693.db2.gz WNYSEUUKKKEMDG-BKMJKUGQSA-N 0 0 452.620 4.712 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)c1C ZINC001445930968 1066636779 /nfs/dbraw/zinc/63/67/79/1066636779.db2.gz JINYPIVJXGLGSD-AREMUKBSSA-N 0 0 455.558 4.874 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1cc(F)c(F)c(F)c1F ZINC001456596994 1066637332 /nfs/dbraw/zinc/63/73/32/1066637332.db2.gz PMQZKXPPCKHMPF-CVEARBPZSA-N 0 0 452.448 4.895 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001456598497 1066637356 /nfs/dbraw/zinc/63/73/56/1066637356.db2.gz VTAQQYRCYCYEKG-IBGZPJMESA-N 0 0 450.485 4.602 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456597018 1066637364 /nfs/dbraw/zinc/63/73/64/1066637364.db2.gz PMQZKXPPCKHMPF-HOTGVXAUSA-N 0 0 452.448 4.895 20 0 JJADRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC001361280141 1066637443 /nfs/dbraw/zinc/63/74/43/1066637443.db2.gz XDTUFTHBBNERTL-GJZUVCINSA-N 0 0 456.586 4.670 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456597047 1066637414 /nfs/dbraw/zinc/63/74/14/1066637414.db2.gz PMQZKXPPCKHMPF-HZPDHXFCSA-N 0 0 452.448 4.895 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)Oc1ccccc1F ZINC001545979932 1066637455 /nfs/dbraw/zinc/63/74/55/1066637455.db2.gz LEPDIMWGLQRCQQ-CSODHUTKSA-N 0 0 493.505 4.801 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001545979931 1066637466 /nfs/dbraw/zinc/63/74/66/1066637466.db2.gz LEPDIMWGLQRCQQ-CBGDNZLLSA-N 0 0 493.505 4.801 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC001445942767 1066638037 /nfs/dbraw/zinc/63/80/37/1066638037.db2.gz XYKXGYXGBDTZAS-LOSJGSFVSA-N 0 0 450.485 4.529 20 0 JJADRN Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cn1 ZINC001361280883 1066638096 /nfs/dbraw/zinc/63/80/96/1066638096.db2.gz QVLYWAIVWZMTGN-UHFFFAOYSA-N 0 0 468.646 4.771 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CCc2ccc(Br)cc2)cn1 ZINC001361280425 1066638101 /nfs/dbraw/zinc/63/81/01/1066638101.db2.gz FBHYWPZMUNKMBG-OAQYLSRUSA-N 0 0 470.415 4.713 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2CCc3cccc(OC)c32)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456601256 1066638722 /nfs/dbraw/zinc/63/87/22/1066638722.db2.gz GXTDJKFBRZKPAW-ZLNRFVROSA-N 0 0 450.579 4.763 20 0 JJADRN C[C@H](CNC(=O)c1nc(Br)ccc1Br)c1nc2ccccc2s1 ZINC001445944100 1066638848 /nfs/dbraw/zinc/63/88/48/1066638848.db2.gz UQNZDZICYNGCLQ-SECBINFHSA-N 0 0 455.175 4.750 20 0 JJADRN COc1cc(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)ccc1NC(N)=O ZINC001445949576 1066638924 /nfs/dbraw/zinc/63/89/24/1066638924.db2.gz XRQYHXQHNHUGJT-UHFFFAOYSA-N 0 0 450.495 4.938 20 0 JJADRN CC[C@H](CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)Cc1cccc(Br)c1 ZINC001456603727 1066639312 /nfs/dbraw/zinc/63/93/12/1066639312.db2.gz NJDXLZTXQXIYEF-INIZCTEOSA-N 0 0 452.414 4.630 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H](C(F)F)C2)cn1 ZINC001361281590 1066639274 /nfs/dbraw/zinc/63/92/74/1066639274.db2.gz IGSDAFKJKQBVQW-WOJBJXKFSA-N 0 0 490.599 4.626 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)c(F)c1 ZINC001361281244 1066639344 /nfs/dbraw/zinc/63/93/44/1066639344.db2.gz YFVJAGMOFNYNPO-LEWJYISDSA-N 0 0 487.620 4.504 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001361281861 1066639412 /nfs/dbraw/zinc/63/94/12/1066639412.db2.gz LTNWRTSTDRIRRR-KRWDZBQOSA-N 0 0 489.686 4.815 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)ccc1NC(=O)CC(C)C ZINC001456604757 1066640027 /nfs/dbraw/zinc/64/00/27/1066640027.db2.gz VONXCTWKHMEXDL-UHFFFAOYSA-N 0 0 458.562 4.581 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC001361282064 1066640159 /nfs/dbraw/zinc/64/01/59/1066640159.db2.gz OABRPKMAUKXGPQ-INIZCTEOSA-N 0 0 462.438 4.850 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001445967797 1066640186 /nfs/dbraw/zinc/64/01/86/1066640186.db2.gz HQHGLAZWYZRNMB-GFCCVEGCSA-N 0 0 457.374 4.977 20 0 JJADRN O=C(Nc1cccc(CCC(F)(F)F)c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC001445958681 1066640284 /nfs/dbraw/zinc/64/02/84/1066640284.db2.gz LMGJALAAZSUQAY-WOJBJXKFSA-N 0 0 457.452 4.712 20 0 JJADRN CN(CCOc1cccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1)C(=O)OC(C)(C)C ZINC001445967173 1066640380 /nfs/dbraw/zinc/64/03/80/1066640380.db2.gz AXHCSOQEUPDPJA-UHFFFAOYSA-N 0 0 454.567 4.690 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC(C)(C)OC[C@@H]2C)s1 ZINC001361282748 1066640938 /nfs/dbraw/zinc/64/09/38/1066640938.db2.gz WKCRDJMJTKOOJW-HKUYNNGSSA-N 0 0 489.686 4.815 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC001456605976 1066640848 /nfs/dbraw/zinc/64/08/48/1066640848.db2.gz LOFQRUTZMJJAQY-SJORKVTESA-N 0 0 456.391 4.658 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 ZINC001456606126 1066640940 /nfs/dbraw/zinc/64/09/40/1066640940.db2.gz LWVNGSKQZVEELQ-HZPDHXFCSA-N 0 0 458.942 4.547 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1 ZINC001492598402 1066641027 /nfs/dbraw/zinc/64/10/27/1066641027.db2.gz MQZRWNIATFFCPE-UHFFFAOYSA-N 0 0 488.430 4.676 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@@H](C)C[C@H](C)C2)c(OCC(F)(F)F)c1 ZINC001361282773 1066641040 /nfs/dbraw/zinc/64/10/40/1066641040.db2.gz WXMHFPJHKQMQDW-CMKODMSKSA-N 0 0 466.548 4.952 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001445973932 1066641578 /nfs/dbraw/zinc/64/15/78/1066641578.db2.gz ZVUKUGMLMKWUBX-UHFFFAOYSA-N 0 0 452.769 4.916 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)s2)c2ccccc2)cc1OC ZINC001361284454 1066642185 /nfs/dbraw/zinc/64/21/85/1066642185.db2.gz SHARRMLUGGMPBE-IBGZPJMESA-N 0 0 450.560 4.828 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)S[C@@H](C)C2)c(O[C@@H]2CCOC2)c1 ZINC001361284395 1066642307 /nfs/dbraw/zinc/64/23/07/1066642307.db2.gz FHJWGICDUGETFW-IRFCIJBXSA-N 0 0 458.672 4.721 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)COC[C@@H](C)c1ccccc1 ZINC001456610190 1066642280 /nfs/dbraw/zinc/64/22/80/1066642280.db2.gz RBFCBPSSKMNNNZ-NQHRYMMQSA-N 0 0 452.595 4.845 20 0 JJADRN O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(Br)c(C(F)(F)F)cc1F ZINC001445989765 1066642522 /nfs/dbraw/zinc/64/25/22/1066642522.db2.gz UZVIDWGNFJSZTM-UHFFFAOYSA-N 0 0 458.209 4.630 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361284888 1066642966 /nfs/dbraw/zinc/64/29/66/1066642966.db2.gz LFHRFBDKKQAVBE-NRFANRHFSA-N 0 0 455.647 4.965 20 0 JJADRN Cc1c2cc(F)ccc2sc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC001456610509 1066642799 /nfs/dbraw/zinc/64/27/99/1066642799.db2.gz YDTBVKDWVBXWEA-SFHVURJKSA-N 0 0 454.567 4.718 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2oc3ccccc3c2CSCc2ccccc2)C1 ZINC001456611802 1066642936 /nfs/dbraw/zinc/64/29/36/1066642936.db2.gz TXSSKVIXBIKAGT-RBUKOAKNSA-N 0 0 457.617 4.952 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC001361284543 1066643000 /nfs/dbraw/zinc/64/30/00/1066643000.db2.gz VQNNVMIIFDRHDI-UHFFFAOYSA-N 0 0 451.283 4.597 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001445999023 1066643119 /nfs/dbraw/zinc/64/31/19/1066643119.db2.gz IMEWZORGQPUQSO-UHFFFAOYSA-N 0 0 452.396 4.711 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)COCc1cccc(Cl)c1 ZINC001456611860 1066643765 /nfs/dbraw/zinc/64/37/65/1066643765.db2.gz UBHYJOUXMIQGGZ-PKTZIBPZSA-N 0 0 458.986 4.895 20 0 JJADRN COCCN(CC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)OC(C)(C)C ZINC001456613545 1066643794 /nfs/dbraw/zinc/64/37/94/1066643794.db2.gz FBNLYRABYLBQRO-UHFFFAOYSA-N 0 0 456.914 4.816 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001361285387 1066643882 /nfs/dbraw/zinc/64/38/82/1066643882.db2.gz XQSNPIUCVWHOCI-UHFFFAOYSA-N 0 0 466.699 4.543 20 0 JJADRN Cc1ccccc1C1(C(=O)Nc2ccc(I)c(Cl)c2)CCOCC1 ZINC001456615741 1066644931 /nfs/dbraw/zinc/64/49/31/1066644931.db2.gz DUIHSMXWGFNELC-UHFFFAOYSA-N 0 0 455.723 4.940 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C3(c4ccccc4)CCC3)n2CCCOC(F)(F)F)CCO1 ZINC001546083479 1066644983 /nfs/dbraw/zinc/64/49/83/1066644983.db2.gz OACQPGTWEOQCPI-NRFANRHFSA-N 0 0 452.521 4.680 20 0 JJADRN Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccc(Cl)s2)c(=O)n1C ZINC001361286523 1066645017 /nfs/dbraw/zinc/64/50/17/1066645017.db2.gz SFJMFNMHWSUHCC-UHFFFAOYSA-N 0 0 489.979 4.554 20 0 JJADRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001361286235 1066645125 /nfs/dbraw/zinc/64/51/25/1066645125.db2.gz LFXHQDVKULNXNX-HNNXBMFYSA-N 0 0 450.324 4.996 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001456617625 1066645607 /nfs/dbraw/zinc/64/56/07/1066645607.db2.gz RYCXDZFCGCCSAW-HNNXBMFYSA-N 0 0 450.398 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)[C@@](C)(O)CCc3ccccc3)CC2)CC1 ZINC001456616480 1066645627 /nfs/dbraw/zinc/64/56/27/1066645627.db2.gz FLLYNUARUQUATK-AMGIVPHBSA-N 0 0 458.643 4.646 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2SC)cc1 ZINC001361287636 1066645669 /nfs/dbraw/zinc/64/56/69/1066645669.db2.gz VURXDJMJYOHWNV-UHFFFAOYSA-N 0 0 456.589 4.519 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001456619044 1066646300 /nfs/dbraw/zinc/64/63/00/1066646300.db2.gz NUWDMBWGWDUBJU-ZDUSSCGKSA-N 0 0 455.601 4.636 20 0 JJADRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC001456618308 1066646347 /nfs/dbraw/zinc/64/63/47/1066646347.db2.gz UVXKVLIIEWKOQP-HNNXBMFYSA-N 0 0 450.398 4.856 20 0 JJADRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC001446018860 1066646224 /nfs/dbraw/zinc/64/62/24/1066646224.db2.gz SXNSQHHTWIVRLF-IRLDBZIGSA-N 0 0 457.979 4.945 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(CCC(F)(F)F)cc1 ZINC001361287985 1066646329 /nfs/dbraw/zinc/64/63/29/1066646329.db2.gz BQPOTBVKXKWVLI-QGZVFWFLSA-N 0 0 458.402 4.731 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001361287893 1066646474 /nfs/dbraw/zinc/64/64/74/1066646474.db2.gz FRGNBAZWXNBSRN-SFHVURJKSA-N 0 0 455.359 4.713 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1F ZINC001456619489 1066647108 /nfs/dbraw/zinc/64/71/08/1066647108.db2.gz ZHLWNEMWWZYAJD-UHFFFAOYSA-N 0 0 452.857 4.827 20 0 JJADRN O=C(c1cc(Cl)ccc1Oc1ccc(F)cc1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001446024539 1066647130 /nfs/dbraw/zinc/64/71/30/1066647130.db2.gz YIVHLVDMQFITBN-UHFFFAOYSA-N 0 0 451.947 4.845 20 0 JJADRN Cn1ccc(Nc2ccc(C(=O)Nc3ccc(I)c(Cl)c3)cc2)n1 ZINC001456620355 1066647590 /nfs/dbraw/zinc/64/75/90/1066647590.db2.gz ZKYDLJGNXWKKMG-UHFFFAOYSA-N 0 0 452.683 4.674 20 0 JJADRN CCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c(C(N)=O)c1 ZINC001456620418 1066647602 /nfs/dbraw/zinc/64/76/02/1066647602.db2.gz AWEXJWKNBQGYCG-UHFFFAOYSA-N 0 0 454.939 4.799 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492598470 1066647753 /nfs/dbraw/zinc/64/77/53/1066647753.db2.gz NISMWEPKFJWELP-UYAOXDASSA-N 0 0 481.666 4.918 20 0 JJADRN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001446028112 1066647787 /nfs/dbraw/zinc/64/77/87/1066647787.db2.gz UJMIDDRCEMYUSB-QPMFXJJASA-N 0 0 456.608 4.700 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001446029167 1066647851 /nfs/dbraw/zinc/64/78/51/1066647851.db2.gz CXUIGRINJYYEAN-AOYPEHQESA-N 0 0 458.558 4.950 20 0 JJADRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001446029350 1066647882 /nfs/dbraw/zinc/64/78/82/1066647882.db2.gz DGBMTOKCASRMSY-FCHUYYIVSA-N 0 0 458.624 4.938 20 0 JJADRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001446029201 1066647898 /nfs/dbraw/zinc/64/78/98/1066647898.db2.gz CXUIGRINJYYEAN-AZGAKELHSA-N 0 0 458.558 4.950 20 0 JJADRN Cc1ccccc1OCCCn1c(C(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001492598519 1066647859 /nfs/dbraw/zinc/64/78/59/1066647859.db2.gz LVUUABIPKPSIMX-UHFFFAOYSA-N 0 0 467.658 4.798 20 0 JJADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001456623969 1066648340 /nfs/dbraw/zinc/64/83/40/1066648340.db2.gz KKMIJIROYQQAAG-HNNXBMFYSA-N 0 0 452.869 4.729 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCOCC1 ZINC001492598653 1066648515 /nfs/dbraw/zinc/64/85/15/1066648515.db2.gz ONKRXYIAHNKEFM-KIFXHHALSA-N 0 0 470.658 4.835 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(CC2CC2)n1Cc1cccc(Br)n1 ZINC001492598726 1066648535 /nfs/dbraw/zinc/64/85/35/1066648535.db2.gz ONOODLYMTLCVRE-UHFFFAOYSA-N 0 0 470.415 4.650 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001446030333 1066648796 /nfs/dbraw/zinc/64/87/96/1066648796.db2.gz GCQRQRIKARCIHS-UIOOFZCWSA-N 0 0 459.590 4.815 20 0 JJADRN CC(=O)N[C@@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)c1cccc(Br)c1 ZINC001456626319 1066648963 /nfs/dbraw/zinc/64/89/63/1066648963.db2.gz HVPPSNAFWUKMND-HXUWFJFHSA-N 0 0 455.356 4.730 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1 ZINC001492598957 1066649136 /nfs/dbraw/zinc/64/91/36/1066649136.db2.gz SBELZSSFIFCJMR-UHFFFAOYSA-N 0 0 452.628 4.838 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)C1 ZINC001446036471 1066649303 /nfs/dbraw/zinc/64/93/03/1066649303.db2.gz UFEYMAXFNCJFNX-ONLLFZDPSA-N 0 0 450.579 4.985 20 0 JJADRN O=C(/C(=C\c1cccc(Cl)c1)c1cccs1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001446035960 1066649330 /nfs/dbraw/zinc/64/93/30/1066649330.db2.gz OIODZTMGEAEHFN-QNGOZBTKSA-N 0 0 452.963 4.632 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)ccc1C(=O)N(C)C ZINC001456625556 1066649596 /nfs/dbraw/zinc/64/95/96/1066649596.db2.gz QSGQOFDVBAOAER-UHFFFAOYSA-N 0 0 454.324 4.899 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456626564 1066649672 /nfs/dbraw/zinc/64/96/72/1066649672.db2.gz BLNQNVDIDPUZTD-QZTJIDSGSA-N 0 0 466.607 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC001456626660 1066650258 /nfs/dbraw/zinc/65/02/58/1066650258.db2.gz XZRYGNMEBQSFSU-HXUWFJFHSA-N 0 0 452.599 4.762 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1)n1nnc(-c2ccccc2)n1 ZINC001446039863 1066650551 /nfs/dbraw/zinc/65/05/51/1066650551.db2.gz YVJKAQUBRRZDAK-RPBOFIJWSA-N 0 0 455.562 4.842 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1)n1nnc(-c2ccccc2)n1 ZINC001446039860 1066650592 /nfs/dbraw/zinc/65/05/92/1066650592.db2.gz YVJKAQUBRRZDAK-DQEYMECFSA-N 0 0 455.562 4.842 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001492599564 1066650620 /nfs/dbraw/zinc/65/06/20/1066650620.db2.gz YLYBBLKEZQBOOT-SFTDATJTSA-N 0 0 468.671 4.592 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001492599198 1066651215 /nfs/dbraw/zinc/65/12/15/1066651215.db2.gz VTKKJYLQUIXVNW-FQEVSTJZSA-N 0 0 481.607 4.965 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3oc(CNC(=O)OC(C)(C)C)cc3C)n2)cc1 ZINC001446044383 1066651243 /nfs/dbraw/zinc/65/12/43/1066651243.db2.gz GBZQTMZOCSIXIN-HNNXBMFYSA-N 0 0 454.527 4.716 20 0 JJADRN Cc1c(=O)[nH]c2ccccc2c1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC001446048013 1066651354 /nfs/dbraw/zinc/65/13/54/1066651354.db2.gz OCKKKMNFSPRZDF-GFCCVEGCSA-N 0 0 453.296 4.552 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC001456630801 1066651464 /nfs/dbraw/zinc/65/14/64/1066651464.db2.gz AVSDAMWYQQCLMA-RUYXUALKSA-N 0 0 458.624 4.773 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)N3CC(Cc4ccc(Br)cc4)C3)n2)c1 ZINC001456630163 1066651527 /nfs/dbraw/zinc/65/15/27/1066651527.db2.gz ZJYIXCAUVRDNFL-UHFFFAOYSA-N 0 0 458.381 4.601 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCc2csc(C)n2)CCO1 ZINC001546083823 1066651547 /nfs/dbraw/zinc/65/15/47/1066651547.db2.gz TWGJQCZJNIDURU-NRFANRHFSA-N 0 0 476.444 4.721 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NC3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC001456630792 1066651565 /nfs/dbraw/zinc/65/15/65/1066651565.db2.gz AVSDAMWYQQCLMA-QZTJIDSGSA-N 0 0 458.624 4.773 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1F ZINC001446049567 1066652060 /nfs/dbraw/zinc/65/20/60/1066652060.db2.gz PCTHRGWDEAYIPY-CPJLOUKISA-N 0 0 453.514 4.776 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC001545980574 1066652121 /nfs/dbraw/zinc/65/21/21/1066652121.db2.gz WQDITNUTONUQIB-QHCPKHFHSA-N 0 0 476.669 4.637 20 0 JJADRN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]c1=O)N1CCc2cccc(Br)c2C1 ZINC001446050573 1066652143 /nfs/dbraw/zinc/65/21/43/1066652143.db2.gz SEDPQERDWBAQSN-UHFFFAOYSA-N 0 0 451.242 4.920 20 0 JJADRN CC[C@@](C)(NC(=O)c1cccn1-c1cccc(I)c1)c1nccs1 ZINC001456632210 1066652179 /nfs/dbraw/zinc/65/21/79/1066652179.db2.gz YNSKFOFBNJTPJD-GOSISDBHSA-N 0 0 451.333 4.594 20 0 JJADRN C[C@H](CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)N1CCc2ccccc21 ZINC001446051737 1066652726 /nfs/dbraw/zinc/65/27/26/1066652726.db2.gz WFQNGCJPQBRPMF-HUUCEWRRSA-N 0 0 455.356 4.518 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCc4cccnc43)c2)c1 ZINC001456635381 1066652754 /nfs/dbraw/zinc/65/27/54/1066652754.db2.gz ILCWMFHVVPTUNV-OAQYLSRUSA-N 0 0 455.967 4.652 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001446060036 1066653356 /nfs/dbraw/zinc/65/33/56/1066653356.db2.gz CFYBRKLRMMCCGG-LSDHHAIUSA-N 0 0 455.393 4.532 20 0 JJADRN CCOc1cccc(CNC(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1OC(F)F ZINC001446061097 1066653414 /nfs/dbraw/zinc/65/34/14/1066653414.db2.gz LTPHANSSJKIQEH-JNSOCZORSA-N 0 0 454.514 4.506 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)O1 ZINC001546083951 1066653491 /nfs/dbraw/zinc/65/34/91/1066653491.db2.gz VXKUWAJEPQSDMA-QKFIJCJASA-N 0 0 460.594 4.910 20 0 JJADRN COc1ccc(CN2C[C@@H](C(=O)N[C@H](CC(C)C)c3cc(Cl)ccc3OC)CC2=O)cc1 ZINC001456635090 1066653511 /nfs/dbraw/zinc/65/35/11/1066653511.db2.gz HIMNBHKGINRDDZ-PGRDOPGGSA-N 0 0 458.986 4.609 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)O1 ZINC001546083952 1066653524 /nfs/dbraw/zinc/65/35/24/1066653524.db2.gz VXKUWAJEPQSDMA-QXVOXHNYSA-N 0 0 460.594 4.910 20 0 JJADRN Cc1ccsc1Cn1c(N(C)CCOc2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492600631 1066653838 /nfs/dbraw/zinc/65/38/38/1066653838.db2.gz QEZZAIBPHHPFGS-RUZDIDTESA-N 0 0 470.639 4.561 20 0 JJADRN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@@H](CCO)C1CCCCC1 ZINC001446063849 1066654013 /nfs/dbraw/zinc/65/40/13/1066654013.db2.gz APCOFCURDUANGQ-NRFANRHFSA-N 0 0 455.986 4.716 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2([S@](C)=O)CC2)CCO1 ZINC001546084014 1066654102 /nfs/dbraw/zinc/65/41/02/1066654102.db2.gz WTTYIAWJAYVKFI-WAQHUQBESA-N 0 0 495.089 4.605 20 0 JJADRN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1 ZINC001456638274 1066654233 /nfs/dbraw/zinc/65/42/33/1066654233.db2.gz UBCVUXVIXKMIJB-UHFFFAOYSA-N 0 0 454.596 4.585 20 0 JJADRN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)cc2)n1 ZINC001456638687 1066654621 /nfs/dbraw/zinc/65/46/21/1066654621.db2.gz NPYHDEDUJMRDKQ-WZONZLPQSA-N 0 0 460.578 4.833 20 0 JJADRN CCC[C@H](C)N(C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456639852 1066654632 /nfs/dbraw/zinc/65/46/32/1066654632.db2.gz LRMQFASKYAFRHL-OXJNMPFZSA-N 0 0 459.612 4.726 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456638857 1066654682 /nfs/dbraw/zinc/65/46/82/1066654682.db2.gz QSCKQDUDDDFCLT-UKRRQHHQSA-N 0 0 454.445 4.830 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001446068130 1066654777 /nfs/dbraw/zinc/65/47/77/1066654777.db2.gz MWIFQDGETMBBJZ-QZTJIDSGSA-N 0 0 451.007 4.540 20 0 JJADRN CCC[C@@H](C)N(C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456639863 1066654751 /nfs/dbraw/zinc/65/47/51/1066654751.db2.gz LRMQFASKYAFRHL-UZLBHIALSA-N 0 0 459.612 4.726 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456639096 1066654754 /nfs/dbraw/zinc/65/47/54/1066654754.db2.gz WBFGQDCBHUSALM-AUUYWEPGSA-N 0 0 476.371 4.622 20 0 JJADRN Cc1ccccc1OCCCn1c(Nc2ccn(C)n2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492601215 1066655063 /nfs/dbraw/zinc/65/50/63/1066655063.db2.gz ZGUZZNVXKRGYCQ-UHFFFAOYSA-N 0 0 495.628 4.647 20 0 JJADRN Cc1ccccc1OCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492601081 1066655068 /nfs/dbraw/zinc/65/50/68/1066655068.db2.gz VUAUWOFPUGBUPH-HXUWFJFHSA-N 0 0 471.646 4.748 20 0 JJADRN Cc1ccccc1OCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001492601214 1066655150 /nfs/dbraw/zinc/65/51/50/1066655150.db2.gz YSVPTXLYXIETDC-IBGZPJMESA-N 0 0 493.599 4.781 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)ccc1OCCO ZINC001446076425 1066655459 /nfs/dbraw/zinc/65/54/59/1066655459.db2.gz VYZQVAPYJLXIJW-XDHUDOTRSA-N 0 0 455.551 4.916 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2ccccc2CSc2nc(C)cs2)ccc1OCCO ZINC001446074535 1066655485 /nfs/dbraw/zinc/65/54/85/1066655485.db2.gz SETKFLFCPDNAQN-MRXNPFEDSA-N 0 0 458.605 4.615 20 0 JJADRN O=C(NC(CCc1ccccc1)CCc1ccccc1)c1cc(I)c[nH]1 ZINC001446072464 1066655515 /nfs/dbraw/zinc/65/55/15/1066655515.db2.gz LSYWJQDQSCVOQB-UHFFFAOYSA-N 0 0 458.343 4.983 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1 ZINC001492601474 1066655796 /nfs/dbraw/zinc/65/57/96/1066655796.db2.gz CUCPQYHIDDCFNH-MZEQIWSPSA-N 0 0 456.631 4.589 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC001446078608 1066656017 /nfs/dbraw/zinc/65/60/17/1066656017.db2.gz VRDVWYIUHNZDCC-SJLPKXTDSA-N 0 0 453.421 4.924 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2)c1C ZINC001446078668 1066656133 /nfs/dbraw/zinc/65/61/33/1066656133.db2.gz VTRQXLOTCAHXBQ-LAUBAEHRSA-N 0 0 454.615 4.817 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CCCO)c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446080387 1066656857 /nfs/dbraw/zinc/65/68/57/1066656857.db2.gz PJHLVFKKCBOCOK-VJBWXMMDSA-N 0 0 473.013 4.921 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2cccc(I)c2)cc1F ZINC001456644447 1066656843 /nfs/dbraw/zinc/65/68/43/1066656843.db2.gz CALOLXHUQLPYKA-UHFFFAOYSA-N 0 0 451.235 4.879 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001492601873 1066657091 /nfs/dbraw/zinc/65/70/91/1066657091.db2.gz JGFLLPWKHBYGNF-QFIPXVFZSA-N 0 0 483.657 4.701 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001492601958 1066657098 /nfs/dbraw/zinc/65/70/98/1066657098.db2.gz LUIMDROTEYAIRD-BVAGGSTKSA-N 0 0 463.626 4.539 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cnc(-c4ccccc4Cl)s3)C2)c1 ZINC001446084616 1066657436 /nfs/dbraw/zinc/65/74/36/1066657436.db2.gz DUXSKBUOLQMSJS-OAHLLOKOSA-N 0 0 457.983 4.737 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1S(=O)(=O)NC(C)(C)C ZINC001456648800 1066657968 /nfs/dbraw/zinc/65/79/68/1066657968.db2.gz POQPEGNSJIKJHN-UHFFFAOYSA-N 0 0 459.793 4.740 20 0 JJADRN CN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C1CCC(CO)CC1 ZINC001446089215 1066658243 /nfs/dbraw/zinc/65/82/43/1066658243.db2.gz VUAZLXJETFQJNR-UHFFFAOYSA-N 0 0 459.612 4.704 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492602482 1066658372 /nfs/dbraw/zinc/65/83/72/1066658372.db2.gz RZRLUTXGEFLACG-MOPGFXCFSA-N 0 0 479.547 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)C1 ZINC001446087559 1066658345 /nfs/dbraw/zinc/65/83/45/1066658345.db2.gz QOGNHAVHMRJJGL-UWHHFBIGSA-N 0 0 456.608 4.504 20 0 JJADRN C/C(=C\C1CCC(C)CC1)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001456650624 1066658675 /nfs/dbraw/zinc/65/86/75/1066658675.db2.gz YTAYPFHDHGVNKI-DTQAZKPQSA-N 0 0 456.446 4.890 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H]2CCOC2)CCO1 ZINC001546084095 1066658738 /nfs/dbraw/zinc/65/87/38/1066658738.db2.gz XQLCGHKWYZBSLO-XLNZFTOWSA-N 0 0 463.022 4.730 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)n2)c(F)c1 ZINC001446093311 1066658739 /nfs/dbraw/zinc/65/87/39/1066658739.db2.gz HHJDLFQUSBMHDU-OWOHRZCZSA-N 0 0 474.558 4.540 20 0 JJADRN O=C(Nc1nc(-c2c(F)cccc2F)cs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001446093662 1066658755 /nfs/dbraw/zinc/65/87/55/1066658755.db2.gz LHOUEZNQBHEOEV-UHFFFAOYSA-N 0 0 454.907 4.687 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C ZINC001492602599 1066659019 /nfs/dbraw/zinc/65/90/19/1066659019.db2.gz QRHQWKFSBOUBHV-UHFFFAOYSA-N 0 0 476.419 4.674 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492602644 1066659044 /nfs/dbraw/zinc/65/90/44/1066659044.db2.gz RZISYZSAMVIPCB-HSZRJFAPSA-N 0 0 499.656 4.743 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC001446103551 1066660002 /nfs/dbraw/zinc/66/00/02/1066660002.db2.gz WAMLPMSBEJZJSZ-UHFFFAOYSA-N 0 0 451.527 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]2C1 ZINC001456655446 1066660044 /nfs/dbraw/zinc/66/00/44/1066660044.db2.gz FROCWDHRVULMGN-MOPGFXCFSA-N 0 0 459.384 4.931 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nccs1 ZINC001492604052 1066660113 /nfs/dbraw/zinc/66/01/13/1066660113.db2.gz FFGZIDICLQJTBY-WIYYLYMNSA-N 0 0 455.628 4.677 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)CSc1nnnn1C1CCCC1 ZINC001456657406 1066660768 /nfs/dbraw/zinc/66/07/68/1066660768.db2.gz DUZSSXAZVMKANO-MRXNPFEDSA-N 0 0 456.641 4.840 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H](OCC)C3(C)C)cc21 ZINC001446106184 1066660820 /nfs/dbraw/zinc/66/08/20/1066660820.db2.gz GFXIRUYMXPBNFN-LVXARBLLSA-N 0 0 459.631 4.886 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CCOCC1 ZINC001492604748 1066661209 /nfs/dbraw/zinc/66/12/09/1066661209.db2.gz DAARLXYQSDWYNQ-UHFFFAOYSA-N 0 0 488.405 4.851 20 0 JJADRN Cc1ccc2nc(COc3ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc3)cn2c1 ZINC001446111727 1066662126 /nfs/dbraw/zinc/66/21/26/1066662126.db2.gz IQMQRBQQLYPXPG-QFIPXVFZSA-N 0 0 451.567 4.708 20 0 JJADRN CC[C@H](C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC)c1ccc(Br)cc1 ZINC001456660585 1066662046 /nfs/dbraw/zinc/66/20/46/1066662046.db2.gz GRQJJUHSRUFGCU-AZUAARDMSA-N 0 0 459.384 4.889 20 0 JJADRN Cc1cccnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492604976 1066662205 /nfs/dbraw/zinc/66/22/05/1066662205.db2.gz LUNSAVZCBSGFLY-AWEZNQCLSA-N 0 0 483.336 4.577 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)c2ncc(C)s2)CCO1 ZINC001546084185 1066662437 /nfs/dbraw/zinc/66/24/37/1066662437.db2.gz YZTWLJDOPWCAIF-LHSJRXKWSA-N 0 0 493.475 4.620 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC001456662895 1066662481 /nfs/dbraw/zinc/66/24/81/1066662481.db2.gz OHMQRCIHRIVGOR-GUXCAODWSA-N 0 0 451.394 4.713 20 0 JJADRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001446119524 1066662521 /nfs/dbraw/zinc/66/25/21/1066662521.db2.gz AEAJWTIREOGDHZ-UHFFFAOYSA-N 0 0 459.300 4.855 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(F)cc1 ZINC001446119724 1066662566 /nfs/dbraw/zinc/66/25/66/1066662566.db2.gz CTZSGWMJFIHFPT-SFHVURJKSA-N 0 0 457.527 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3nc(-c4ccc(O)cc4)cs3)cc21 ZINC001446124088 1066662621 /nfs/dbraw/zinc/66/26/21/1066662621.db2.gz KHJMOVCINRGNLW-UHFFFAOYSA-N 0 0 451.548 4.995 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)c3ccccc3)cc21 ZINC001446113604 1066662649 /nfs/dbraw/zinc/66/26/49/1066662649.db2.gz RBYFGWDZMGPYPA-SANMLTNESA-N 0 0 457.574 4.968 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492605129 1066663297 /nfs/dbraw/zinc/66/32/97/1066663297.db2.gz QVHZPTIJQMHOIQ-UHFFFAOYSA-N 0 0 480.588 4.577 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC001446130201 1066663296 /nfs/dbraw/zinc/66/32/96/1066663296.db2.gz SDTCLUQYOUNJIP-AWEZNQCLSA-N 0 0 452.523 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H]2C[C@@H]21 ZINC001456671028 1066663744 /nfs/dbraw/zinc/66/37/44/1066663744.db2.gz KTXQJLJIEHLNPE-KGLIPLIRSA-N 0 0 454.379 4.951 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001492606439 1066663752 /nfs/dbraw/zinc/66/37/52/1066663752.db2.gz GQNCXOPEEINNOB-OAQYLSRUSA-N 0 0 453.562 4.532 20 0 JJADRN Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001492606071 1066663845 /nfs/dbraw/zinc/66/38/45/1066663845.db2.gz ULQWUIZVWWNOIA-OAQYLSRUSA-N 0 0 457.981 4.989 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CC1 ZINC001446139207 1066663948 /nfs/dbraw/zinc/66/39/48/1066663948.db2.gz FLPCYJQYHFIAGE-CQSZACIVSA-N 0 0 453.313 4.904 20 0 JJADRN Cc1cc(C(=O)N(c2cccc(F)c2)C2CCOCC2)nn1-c1ccccc1Br ZINC001456674226 1066664364 /nfs/dbraw/zinc/66/43/64/1066664364.db2.gz SABCJPYBYVPKNZ-UHFFFAOYSA-N 0 0 458.331 4.908 20 0 JJADRN Cc1cccnc1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492606548 1066664564 /nfs/dbraw/zinc/66/45/64/1066664564.db2.gz KNFLDMNTZALAPM-IFMALSPDSA-N 0 0 482.673 4.892 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)CCCNS(=O)(=O)c3ccc(C)c(C)c3)c2)cc1 ZINC001446141309 1066664523 /nfs/dbraw/zinc/66/45/23/1066664523.db2.gz KMIPYRLJJDTDAS-UHFFFAOYSA-N 0 0 450.604 4.654 20 0 JJADRN O=C(/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001446141472 1066664576 /nfs/dbraw/zinc/66/45/76/1066664576.db2.gz HNJOKXFGWXENJC-VCHYOVAHSA-N 0 0 458.814 4.679 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCOC(C)C)CC2)c1 ZINC001492607069 1066664980 /nfs/dbraw/zinc/66/49/80/1066664980.db2.gz COUCFJAPYJGXHE-HXUWFJFHSA-N 0 0 483.588 4.733 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(N2CCC(Oc3cc(C)ccn3)CC2)nnc1C(C)(C)C ZINC001492607075 1066665918 /nfs/dbraw/zinc/66/59/18/1066665918.db2.gz CXPHAJUROXLNKT-QGZVFWFLSA-N 0 0 452.603 4.735 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3CCOc3cccc(Cl)c3)CC2)c1 ZINC001492607081 1066665924 /nfs/dbraw/zinc/66/59/24/1066665924.db2.gz DEVAGDHUVFCIJJ-UHFFFAOYSA-N 0 0 455.990 4.885 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccccc4)n3CCCOC(F)(F)F)CC2)c1 ZINC001492607238 1066665934 /nfs/dbraw/zinc/66/59/34/1066665934.db2.gz JQPUPXIGNPBVQP-UHFFFAOYSA-N 0 0 461.488 4.623 20 0 JJADRN Cc1ncsc1CCn1c(CC(C)(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001492607620 1066666263 /nfs/dbraw/zinc/66/62/63/1066666263.db2.gz BIJPIEUMFVDHIF-UHFFFAOYSA-N 0 0 454.644 4.626 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)c2ccc(Cl)cc21 ZINC001456686206 1066666359 /nfs/dbraw/zinc/66/63/59/1066666359.db2.gz CEMPODSALJOMHI-OAHLLOKOSA-N 0 0 453.901 4.889 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)(F)F)CC2)c1 ZINC001492607491 1066666448 /nfs/dbraw/zinc/66/64/48/1066666448.db2.gz RCKHRKBZDORQTJ-UHFFFAOYSA-N 0 0 495.372 4.832 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001446146440 1066666552 /nfs/dbraw/zinc/66/65/52/1066666552.db2.gz XPRJOJRDLILOGM-UHFFFAOYSA-N 0 0 456.167 4.549 20 0 JJADRN O=C(N1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1(CCOCc2ccccc2)CC1 ZINC001456687968 1066666546 /nfs/dbraw/zinc/66/65/46/1066666546.db2.gz AMQWTPYJHXZADU-DEOSSOPVSA-N 0 0 458.396 4.646 20 0 JJADRN CCc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001456691021 1066668061 /nfs/dbraw/zinc/66/80/61/1066668061.db2.gz AZFDJRICSAGRFF-UHFFFAOYSA-N 0 0 453.262 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCc3ccccc3OCC3CC3)o2)CC1 ZINC001456691782 1066668172 /nfs/dbraw/zinc/66/81/72/1066668172.db2.gz VFJILHBUENPTGP-UHFFFAOYSA-N 0 0 455.555 4.508 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC(=O)c2ccco2)CC1 ZINC001446162886 1066668128 /nfs/dbraw/zinc/66/81/28/1066668128.db2.gz MODUJOPQVZJCAR-XXTHSBEZSA-N 0 0 452.595 4.547 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCO[C@@H](C)C3)CC2)c1 ZINC001492608038 1066668455 /nfs/dbraw/zinc/66/84/55/1066668455.db2.gz ORBQCRITKXGBRM-LEWJYISDSA-N 0 0 455.647 4.823 20 0 JJADRN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC001492608246 1066668467 /nfs/dbraw/zinc/66/84/67/1066668467.db2.gz WCYKKFLYLZDBCL-IFMALSPDSA-N 0 0 486.060 4.859 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC001446175623 1066668820 /nfs/dbraw/zinc/66/88/20/1066668820.db2.gz IRXUNVPJUVBVLG-HXUWFJFHSA-N 0 0 459.386 4.804 20 0 JJADRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001456696476 1066669457 /nfs/dbraw/zinc/66/94/57/1066669457.db2.gz ZBOIEYPVQUBDJM-SFHVURJKSA-N 0 0 457.374 4.857 20 0 JJADRN COc1ccc(CCCCC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC ZINC001456696484 1066669552 /nfs/dbraw/zinc/66/95/52/1066669552.db2.gz ZEHGFJWJDGXANH-SFHVURJKSA-N 0 0 458.986 4.679 20 0 JJADRN CN(CCO)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 ZINC001446184676 1066669713 /nfs/dbraw/zinc/66/97/13/1066669713.db2.gz MNDFYDRNXGHHAS-UHFFFAOYSA-N 0 0 455.352 4.709 20 0 JJADRN C[C@@H]1C[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446182891 1066669720 /nfs/dbraw/zinc/66/97/20/1066669720.db2.gz JBDSLJZQNHXUJP-NFBKMPQASA-N 0 0 452.595 4.960 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001456701040 1066670044 /nfs/dbraw/zinc/67/00/44/1066670044.db2.gz GKAQABQYFHTLQQ-OAQYLSRUSA-N 0 0 457.409 4.825 20 0 JJADRN CCCN(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456702460 1066670090 /nfs/dbraw/zinc/67/00/90/1066670090.db2.gz PQWVFUPBEHBXTJ-HYBUGGRVSA-N 0 0 453.489 4.564 20 0 JJADRN CCCN(C(=O)c1ccnc(O[C@H]2CCOC2)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456702450 1066670122 /nfs/dbraw/zinc/67/01/22/1066670122.db2.gz PQWVFUPBEHBXTJ-GBXCKJPGSA-N 0 0 453.489 4.564 20 0 JJADRN CCCN(C(=O)c1cnc2ccnn2c1C(F)F)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456704676 1066670800 /nfs/dbraw/zinc/67/08/00/1066670800.db2.gz ULVOKPGQVOMYAO-HXUWFJFHSA-N 0 0 457.431 4.982 20 0 JJADRN Cc1cc(O[C@H](C)C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)ccc1Cl ZINC001456705815 1066670837 /nfs/dbraw/zinc/67/08/37/1066670837.db2.gz NSOPUUYRPGTXJG-QVKFZJNVSA-N 0 0 452.776 4.688 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001492609435 1066671158 /nfs/dbraw/zinc/67/11/58/1066671158.db2.gz ULHVGPMPKSVDFT-SFHVURJKSA-N 0 0 490.357 4.671 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC001446187460 1066671227 /nfs/dbraw/zinc/67/12/27/1066671227.db2.gz NXLHWBDXCVFGBH-UHFFFAOYSA-N 0 0 450.579 4.882 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(=O)N(C)c3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001456706452 1066671340 /nfs/dbraw/zinc/67/13/40/1066671340.db2.gz NLLFDPIEJLIJSD-UHFFFAOYSA-N 0 0 458.349 4.711 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(SC)cc1OC ZINC001456707741 1066671498 /nfs/dbraw/zinc/67/14/98/1066671498.db2.gz UFKSYQUUAYEFLC-UHFFFAOYSA-N 0 0 454.548 4.852 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCOC(C)(C)C2)C1 ZINC001492610026 1066671870 /nfs/dbraw/zinc/67/18/70/1066671870.db2.gz FPGBROAMFMWPBB-UHFFFAOYSA-N 0 0 467.658 4.637 20 0 JJADRN CC1=CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001492609806 1066671899 /nfs/dbraw/zinc/67/18/99/1066671899.db2.gz XGVQORVMJJGBOF-INIZCTEOSA-N 0 0 456.591 4.911 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1 ZINC001456713532 1066672163 /nfs/dbraw/zinc/67/21/63/1066672163.db2.gz ZWVBUUOCOJKWMS-CWSBKQHBSA-N 0 0 450.576 4.694 20 0 JJADRN CCCc1c(C(=O)N2CCCN(C)c3ccc(F)cc32)cnn1-c1cc(F)c(OC)cc1F ZINC001456712246 1066672214 /nfs/dbraw/zinc/67/22/14/1066672214.db2.gz KFEVEKBETPNOFR-UHFFFAOYSA-N 0 0 458.484 4.737 20 0 JJADRN CO[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001446191566 1066672507 /nfs/dbraw/zinc/67/25/07/1066672507.db2.gz DPZBGBYEJGBXHD-KBMIEXCESA-N 0 0 450.579 4.577 20 0 JJADRN CN1CC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC001446190511 1066672663 /nfs/dbraw/zinc/67/26/63/1066672663.db2.gz KCYDSBNBTLBQIW-FYYLOGMGSA-N 0 0 457.343 4.682 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC001456715196 1066672964 /nfs/dbraw/zinc/67/29/64/1066672964.db2.gz GJVWCGLSFUNDRP-JOCHJYFZSA-N 0 0 451.542 4.675 20 0 JJADRN Cc1cc(Br)cc(Cl)c1C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001456715887 1066673049 /nfs/dbraw/zinc/67/30/49/1066673049.db2.gz RKQDHIRAUYJROG-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccc(F)cc3)c2)n1 ZINC001446192147 1066673252 /nfs/dbraw/zinc/67/32/52/1066673252.db2.gz FUPGPUHHODCFCV-YADHBBJMSA-N 0 0 453.949 4.805 20 0 JJADRN CC1=CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001492611148 1066673402 /nfs/dbraw/zinc/67/34/02/1066673402.db2.gz SPMKKTIRJAKNOT-FQEVSTJZSA-N 0 0 477.613 4.543 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)CC1CCN(CC(F)(F)F)CC1)C2 ZINC001456717904 1066673857 /nfs/dbraw/zinc/67/38/57/1066673857.db2.gz FCAJXYYQNSIHAA-UHFFFAOYSA-N 0 0 455.521 4.583 20 0 JJADRN C[C@@H](C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)c1c(Cl)cccc1Cl ZINC001456725111 1066674505 /nfs/dbraw/zinc/67/45/05/1066674505.db2.gz IEDQKRXDIPWITG-LLVKDONJSA-N 0 0 450.771 4.812 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001446199609 1066674914 /nfs/dbraw/zinc/67/49/14/1066674914.db2.gz GJGROSRHTFPRBK-SFHVURJKSA-N 0 0 459.493 4.750 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545982708 1066675700 /nfs/dbraw/zinc/67/57/00/1066675700.db2.gz PWFFCPGMRBOLAS-WIYYLYMNSA-N 0 0 487.620 4.893 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1 ZINC001456731219 1066675796 /nfs/dbraw/zinc/67/57/96/1066675796.db2.gz ZBZSHCBLPZZENA-VXNXHJTFSA-N 0 0 456.627 4.723 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(N2CCSCC2)cc1)c1ccc(I)cc1 ZINC001456729169 1066675809 /nfs/dbraw/zinc/67/58/09/1066675809.db2.gz PVGQTTLLXHINCK-CQSZACIVSA-N 0 0 452.361 4.587 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001492613716 1066675991 /nfs/dbraw/zinc/67/59/91/1066675991.db2.gz GHRCAFJHGMVVSH-WOJBJXKFSA-N 0 0 461.651 4.610 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001492613662 1066676156 /nfs/dbraw/zinc/67/61/56/1066676156.db2.gz DIBUMRPUJXTGGA-OPAMFIHVSA-N 0 0 451.398 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)C1 ZINC001446236575 1066676407 /nfs/dbraw/zinc/67/64/07/1066676407.db2.gz DHRIQVPGISHMPH-RZDIXWSQSA-N 0 0 451.405 4.633 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCC)cc2)cc1 ZINC001446235343 1066676500 /nfs/dbraw/zinc/67/65/00/1066676500.db2.gz DBBCUCUFKLCNHK-UHFFFAOYSA-N 0 0 454.548 4.561 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001492613692 1066676998 /nfs/dbraw/zinc/67/69/98/1066676998.db2.gz FKVOVZDLBLFOGA-OYRHEFFESA-N 0 0 496.656 4.826 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(N(C)C)cc2)C1 ZINC001492613874 1066677052 /nfs/dbraw/zinc/67/70/52/1066677052.db2.gz LUHYKHQRWBKQKP-SZPZYZBQSA-N 0 0 480.657 4.514 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)C[C@@H]2CCC[C@H]2O)c1=S ZINC001446238770 1066677192 /nfs/dbraw/zinc/67/71/92/1066677192.db2.gz SLVPGBFMJHURCB-PKOBYXMFSA-N 0 0 451.036 4.544 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC001456736877 1066678378 /nfs/dbraw/zinc/67/83/78/1066678378.db2.gz YSNMSQDTNWKZTQ-UHFFFAOYSA-N 0 0 454.882 4.871 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccccc3F)n2CCc2cc(C(F)(F)F)ccn2)C1 ZINC001492614165 1066678379 /nfs/dbraw/zinc/67/83/79/1066678379.db2.gz WUXFEBYFEFLDTD-UHFFFAOYSA-N 0 0 461.463 4.809 20 0 JJADRN Cc1ccc(NC(=O)c2nnc(N3CC=C(C)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1C ZINC001492614227 1066678442 /nfs/dbraw/zinc/67/84/42/1066678442.db2.gz ZCSKTSLBDPBOGC-UHFFFAOYSA-N 0 0 482.629 4.607 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC001446242811 1066678823 /nfs/dbraw/zinc/67/88/23/1066678823.db2.gz ZXJNJKURALVNEW-SFHVURJKSA-N 0 0 453.421 4.879 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)Oc1cccc(F)c1 ZINC001545982777 1066680427 /nfs/dbraw/zinc/68/04/27/1066680427.db2.gz RANPVJDUODLQCV-AVRDEDQJSA-N 0 0 471.621 4.529 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC=C(C)CC1 ZINC001492615334 1066680453 /nfs/dbraw/zinc/68/04/53/1066680453.db2.gz JIIXCSITLOYJPS-UHFFFAOYSA-N 0 0 473.806 4.859 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)Oc1cccc(F)c1 ZINC001545982780 1066680472 /nfs/dbraw/zinc/68/04/72/1066680472.db2.gz RANPVJDUODLQCV-XMSQKQJNSA-N 0 0 471.621 4.529 20 0 JJADRN CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001492615339 1066680489 /nfs/dbraw/zinc/68/04/89/1066680489.db2.gz JMJHLUNWOGWYRV-MOPGFXCFSA-N 0 0 497.587 4.645 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001456750410 1066680617 /nfs/dbraw/zinc/68/06/17/1066680617.db2.gz ROCKZCNJIFNCLA-GOSISDBHSA-N 0 0 457.537 4.975 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CC1)c1cc(Br)cnc1C1CC1 ZINC001456750374 1066680695 /nfs/dbraw/zinc/68/06/95/1066680695.db2.gz RIOYEHBDYIKCFN-UHFFFAOYSA-N 0 0 450.174 4.946 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(C(N)=O)CCCC2)CC1 ZINC001492615458 1066681182 /nfs/dbraw/zinc/68/11/82/1066681182.db2.gz NRPSDPQBCAJQCO-UHFFFAOYSA-N 0 0 478.822 4.563 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001446260725 1066681195 /nfs/dbraw/zinc/68/11/95/1066681195.db2.gz QOUDXZUGWOIYHR-SFHVURJKSA-N 0 0 453.587 4.696 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545982865 1066681218 /nfs/dbraw/zinc/68/12/18/1066681218.db2.gz SFWJMLGOHLSGSA-VXKWHMMOSA-N 0 0 487.620 4.548 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC001446260716 1066681259 /nfs/dbraw/zinc/68/12/59/1066681259.db2.gz QOUDXZUGWOIYHR-GOSISDBHSA-N 0 0 453.587 4.696 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001492615419 1066681248 /nfs/dbraw/zinc/68/12/48/1066681248.db2.gz MCYRGDUTRPBVIA-UHFFFAOYSA-N 0 0 480.382 4.528 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001492615364 1066681292 /nfs/dbraw/zinc/68/12/92/1066681292.db2.gz JWGHUCJLMFBLIT-UHFFFAOYSA-N 0 0 491.434 4.592 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492615494 1066681618 /nfs/dbraw/zinc/68/16/18/1066681618.db2.gz OQTOKAJKDZVQCE-UHFFFAOYSA-N 0 0 490.343 4.887 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001492615585 1066681819 /nfs/dbraw/zinc/68/18/19/1066681819.db2.gz RPKNKAWEARGWKU-UHFFFAOYSA-N 0 0 498.473 4.923 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)nc(N2CCCCC2)n1 ZINC001446270704 1066681854 /nfs/dbraw/zinc/68/18/54/1066681854.db2.gz AKBSBEDCJJAVKD-IBGZPJMESA-N 0 0 454.590 4.808 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC001456760434 1066681961 /nfs/dbraw/zinc/68/19/61/1066681961.db2.gz KRBMJDFYQINHED-UHFFFAOYSA-N 0 0 455.308 4.949 20 0 JJADRN Cc1ccc(OCCCCn2c(N3CC=C(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001492615744 1066682574 /nfs/dbraw/zinc/68/25/74/1066682574.db2.gz XIZVGQSFEFJHSD-AREMUKBSSA-N 0 0 454.615 4.643 20 0 JJADRN CCC[C@H](CCc1ccccc1)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001456762523 1066682670 /nfs/dbraw/zinc/68/26/70/1066682670.db2.gz IFFYVZRLMLWGCC-LJQANCHMSA-N 0 0 452.414 4.531 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001446272631 1066683099 /nfs/dbraw/zinc/68/30/99/1066683099.db2.gz KIFUBWYCRMFAEJ-IBGZPJMESA-N 0 0 454.567 4.655 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)ccc1C ZINC001456766599 1066683100 /nfs/dbraw/zinc/68/31/00/1066683100.db2.gz NKGNXPVGOIUGEM-UHFFFAOYSA-N 0 0 458.502 4.527 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(Cl)c(OCC)c(OC)c1 ZINC001456764060 1066683203 /nfs/dbraw/zinc/68/32/03/1066683203.db2.gz XCXYJNNSEJOXGA-UHFFFAOYSA-N 0 0 456.720 4.939 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c1 ZINC001456766632 1066683275 /nfs/dbraw/zinc/68/32/75/1066683275.db2.gz OBVABUIIUODMCN-UHFFFAOYSA-N 0 0 451.498 4.936 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)[C@@H]2CCc3cc(Br)ccc32)c1 ZINC001456764543 1066683321 /nfs/dbraw/zinc/68/33/21/1066683321.db2.gz HLLBCBDZWFDRKN-OAQYLSRUSA-N 0 0 453.336 4.991 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCN(C)CC(F)(F)F)CC1 ZINC001492616429 1066683823 /nfs/dbraw/zinc/68/38/23/1066683823.db2.gz YJIMYDQVEXDXGE-UHFFFAOYSA-N 0 0 490.343 4.887 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)CSc1nccn1C(C)(C)C ZINC001446275768 1066683811 /nfs/dbraw/zinc/68/38/11/1066683811.db2.gz SZYDRZCDVHIIET-UHFFFAOYSA-N 0 0 455.378 4.700 20 0 JJADRN Cc1ccccc1-c1nnc(N2CC=C(C)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001492616200 1066683856 /nfs/dbraw/zinc/68/38/56/1066683856.db2.gz OSENKZQTHLMLBO-UHFFFAOYSA-N 0 0 457.500 4.989 20 0 JJADRN CC1=CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(F)(F)Br)CC1 ZINC001492617302 1066684439 /nfs/dbraw/zinc/68/44/39/1066684439.db2.gz CFZBFJUMKRJRTL-HNNXBMFYSA-N 0 0 490.393 4.537 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001492618066 1066685192 /nfs/dbraw/zinc/68/51/92/1066685192.db2.gz WWEGEPINAVOZCC-CTNGQTDRSA-N 0 0 487.670 4.683 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001492618015 1066685230 /nfs/dbraw/zinc/68/52/30/1066685230.db2.gz WAUJWMFRJBKUKB-VWLOTQADSA-N 0 0 487.670 4.518 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N(C)[C@@H]3CCN(c4ccccc4F)C3=O)cc2)cs1 ZINC001456770746 1066685426 /nfs/dbraw/zinc/68/54/26/1066685426.db2.gz POKJDFDHIIUMOE-OAQYLSRUSA-N 0 0 455.580 4.760 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 ZINC001456770901 1066685467 /nfs/dbraw/zinc/68/54/67/1066685467.db2.gz ZCVFLMRYOWJDOW-UHFFFAOYSA-N 0 0 457.486 4.966 20 0 JJADRN CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001492618086 1066685984 /nfs/dbraw/zinc/68/59/84/1066685984.db2.gz XIWBSXBXLDCUCT-UHFFFAOYSA-N 0 0 480.657 4.922 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)c3nc(CNC(=O)OC(C)(C)C)sc3C)CC2)cc1 ZINC001446291991 1066685978 /nfs/dbraw/zinc/68/59/78/1066685978.db2.gz NUEOQDHMKJKGBW-UHFFFAOYSA-N 0 0 457.596 4.804 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)OCc2cccc(OC)c2OC(F)F)CC[C@H]1c1ccc(C)o1 ZINC001456771901 1066686287 /nfs/dbraw/zinc/68/62/87/1066686287.db2.gz YWFYNCNCUBYQIF-JKSUJKDBSA-N 0 0 453.438 4.603 20 0 JJADRN COC(=O)c1cc(NC(=O)c2coc(-c3c(F)cccc3F)n2)c(Br)cc1F ZINC001456774176 1066686922 /nfs/dbraw/zinc/68/69/22/1066686922.db2.gz PBFHAPJRZAFCDN-UHFFFAOYSA-N 0 0 455.186 4.560 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1 ZINC001446294661 1066686961 /nfs/dbraw/zinc/68/69/61/1066686961.db2.gz UZDTWYQQJAHLIA-HSZRJFAPSA-N 0 0 452.599 4.653 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCOC[C@H]2CCCO2)CC1 ZINC001492619584 1066687270 /nfs/dbraw/zinc/68/72/70/1066687270.db2.gz BDDBBRUDWBRKSL-XMMPIXPASA-N 0 0 468.642 4.897 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(F)ccc2F)CC1 ZINC001492619560 1066687297 /nfs/dbraw/zinc/68/72/97/1066687297.db2.gz APCRQXQRWAPQLU-FQEVSTJZSA-N 0 0 459.541 4.833 20 0 JJADRN Cc1cccc(OCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC=C(C)CC2)c1 ZINC001492619649 1066687353 /nfs/dbraw/zinc/68/73/53/1066687353.db2.gz DKMHXVYFEVNHIF-QFIPXVFZSA-N 0 0 467.614 4.894 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(Cl)cc3)n2CCOc2ncccc2Cl)CC1 ZINC001492619637 1066687391 /nfs/dbraw/zinc/68/73/91/1066687391.db2.gz DCYCYHZCWOEDEO-UHFFFAOYSA-N 0 0 460.365 4.794 20 0 JJADRN CC1=CCN(c2nnc(CCc3ccccc3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001492619532 1066687414 /nfs/dbraw/zinc/68/74/14/1066687414.db2.gz ZSYSECFMIQUTFY-UHFFFAOYSA-N 0 0 461.576 4.884 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001446295568 1066687665 /nfs/dbraw/zinc/68/76/65/1066687665.db2.gz GIWPXGLRYFCVJX-LBTNJELSSA-N 0 0 457.384 4.671 20 0 JJADRN O=C(CC1OCCCO1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001456778949 1066688545 /nfs/dbraw/zinc/68/85/45/1066688545.db2.gz CLPVHRXGQPNXOU-SFHVURJKSA-N 0 0 456.739 4.795 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1(C)C ZINC001456777777 1066688558 /nfs/dbraw/zinc/68/85/58/1066688558.db2.gz ITVKCGZGRLVQRB-VQTJNVASSA-N 0 0 459.384 4.977 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)Oc1cccc(F)c1 ZINC001545984127 1066688897 /nfs/dbraw/zinc/68/88/97/1066688897.db2.gz DLLJUWQUBWEFFT-SFHVURJKSA-N 0 0 487.517 4.565 20 0 JJADRN Cc1ccc(OCc2nnc(N3CC=C(C)CC3)n2Cc2cccc(Br)n2)cc1C ZINC001492620158 1066689381 /nfs/dbraw/zinc/68/93/81/1066689381.db2.gz XRAVEIGVRJKBRC-UHFFFAOYSA-N 0 0 468.399 4.836 20 0 JJADRN Cc1ccc(OCc2nnc(N3CC=C(C)CC3)n2CCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001492620077 1066689402 /nfs/dbraw/zinc/68/94/02/1066689402.db2.gz VCIZLOYJIJKTEB-UHFFFAOYSA-N 0 0 487.526 4.901 20 0 JJADRN CC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(F)(F)c2ccccc2)CC1 ZINC001492620100 1066689415 /nfs/dbraw/zinc/68/94/15/1066689415.db2.gz VWIVKHDZJIZJIR-PUZFROQSSA-N 0 0 473.568 4.997 20 0 JJADRN Cc1ccc(SCc2nnc(N3CC=C(C)CC3)n2CCNc2nccc(C(F)(F)F)n2)cc1 ZINC001492620065 1066689422 /nfs/dbraw/zinc/68/94/22/1066689422.db2.gz VAJXCHQSSPTAEY-UHFFFAOYSA-N 0 0 489.571 4.956 20 0 JJADRN COc1ccc2c(c1)CCCCN2C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001446314919 1066689587 /nfs/dbraw/zinc/68/95/87/1066689587.db2.gz VSRFRZVPNBDNJO-UHFFFAOYSA-N 0 0 452.551 4.808 20 0 JJADRN O=C(Cc1csc(-c2cccc(F)c2)n1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001456784449 1066689807 /nfs/dbraw/zinc/68/98/07/1066689807.db2.gz ZMOVCGHJFQCLMK-UHFFFAOYSA-N 0 0 459.852 4.754 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)c1ccc(Cl)c(F)c1 ZINC001446321550 1066690349 /nfs/dbraw/zinc/69/03/49/1066690349.db2.gz LSVREAFHZGUHDK-MRXNPFEDSA-N 0 0 457.658 4.506 20 0 JJADRN Cc1cc(NC(=O)/C=C\c2ccc(I)o2)ccc1OCC(F)(F)F ZINC001456789544 1066690823 /nfs/dbraw/zinc/69/08/23/1066690823.db2.gz VPBYRCURIXUXLM-DAXSKMNVSA-N 0 0 451.182 4.786 20 0 JJADRN CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC001456791393 1066690870 /nfs/dbraw/zinc/69/08/70/1066690870.db2.gz TWAYTXNOAORKKO-UHFFFAOYSA-N 0 0 458.967 4.512 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)N3Cc4cc(Br)ccc4C[C@H]3C)C2=O)cc1 ZINC001446328737 1066691188 /nfs/dbraw/zinc/69/11/88/1066691188.db2.gz GROYOUPXRLDXDG-ZHRRBRCNSA-N 0 0 455.396 4.899 20 0 JJADRN CS(=O)(=O)CC[C@H](C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC001456792959 1066691513 /nfs/dbraw/zinc/69/15/13/1066691513.db2.gz YAERLAOQIFDJSN-FPOVZHCZSA-N 0 0 455.601 4.949 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446333237 1066692985 /nfs/dbraw/zinc/69/29/85/1066692985.db2.gz MNUPHBOMDNPYRO-XWIAVFTESA-N 0 0 451.405 4.662 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001456796755 1066692858 /nfs/dbraw/zinc/69/28/58/1066692858.db2.gz ASUPCKCGVXWDAE-NHCUHLMSSA-N 0 0 466.578 4.934 20 0 JJADRN COc1ccccc1[C@H]1CCN(C(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)C1 ZINC001456798406 1066693018 /nfs/dbraw/zinc/69/30/18/1066693018.db2.gz HJLIQYSRRUUFOC-HTAPYJJXSA-N 0 0 454.542 4.825 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)on1 ZINC001456797126 1066693085 /nfs/dbraw/zinc/69/30/85/1066693085.db2.gz YQUVSACLGFBXCK-FQEVSTJZSA-N 0 0 455.967 4.806 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Nc2ccn(C)n2)cc1 ZINC001446336078 1066693082 /nfs/dbraw/zinc/69/30/82/1066693082.db2.gz KFGREMONDVGWST-UHFFFAOYSA-N 0 0 450.930 4.918 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)c1 ZINC001492622326 1066693331 /nfs/dbraw/zinc/69/33/31/1066693331.db2.gz LFZRPXMVGBEZLT-UHFFFAOYSA-N 0 0 487.693 4.592 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3C[C@](C)(O)CCC(C)C)C2)c1 ZINC001492622650 1066694188 /nfs/dbraw/zinc/69/41/88/1066694188.db2.gz QLLMFEMCZNDZOS-SHQCIBLASA-N 0 0 464.658 4.711 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 ZINC001446347597 1066694194 /nfs/dbraw/zinc/69/41/94/1066694194.db2.gz YVNJVLAUKWYZPJ-HXUWFJFHSA-N 0 0 457.372 4.661 20 0 JJADRN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)s1 ZINC001446344639 1066694222 /nfs/dbraw/zinc/69/42/22/1066694222.db2.gz YTHLOGUWNLGXKU-KRWDZBQOSA-N 0 0 455.377 4.992 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001456802083 1066694442 /nfs/dbraw/zinc/69/44/42/1066694442.db2.gz NZBHDKVCHOAESO-JPMIEVGJSA-N 0 0 450.623 4.837 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001456802076 1066694467 /nfs/dbraw/zinc/69/44/67/1066694467.db2.gz NZBHDKVCHOAESO-HRHCJDDBSA-N 0 0 450.623 4.837 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC(F)(F)F)CC2)c1 ZINC001492622960 1066694839 /nfs/dbraw/zinc/69/48/39/1066694839.db2.gz VRUTVFMONUGJTF-MRXNPFEDSA-N 0 0 466.483 4.541 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC001456803801 1066695233 /nfs/dbraw/zinc/69/52/33/1066695233.db2.gz OPWPDZJVLIRWCC-VWLOTQADSA-N 0 0 451.526 4.531 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CC(C)(C)OC(C)(C)C2)c1 ZINC001492624019 1066695425 /nfs/dbraw/zinc/69/54/25/1066695425.db2.gz PFSWAHLCNQKBMT-UHFFFAOYSA-N 0 0 487.446 4.615 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3ccccc3OC(F)F)C2)c1 ZINC001492623182 1066695497 /nfs/dbraw/zinc/69/54/97/1066695497.db2.gz YKWBMIKPOXXWNH-HXUWFJFHSA-N 0 0 458.557 4.667 20 0 JJADRN O=C(NCc1cccc(CN2C(=O)CSC2=O)c1)c1ccc(C2SCCCS2)cc1 ZINC001446357025 1066695550 /nfs/dbraw/zinc/69/55/50/1066695550.db2.gz RHNNBUBVSNYUSR-UHFFFAOYSA-N 0 0 458.630 4.681 20 0 JJADRN Cc1cnn(CCn2c(-c3cccc(Br)c3)nnc2N2CCC(OC(C)(C)C)CC2)c1 ZINC001492623649 1066696303 /nfs/dbraw/zinc/69/63/03/1066696303.db2.gz KBIZYBGBBDGXHT-UHFFFAOYSA-N 0 0 487.446 4.697 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001545984954 1066696461 /nfs/dbraw/zinc/69/64/61/1066696461.db2.gz SQOWNJXRPKMAAS-OFNKIYASSA-N 0 0 485.648 4.921 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001456805506 1066696618 /nfs/dbraw/zinc/69/66/18/1066696618.db2.gz DFBJOVCSHQSWPW-INIZCTEOSA-N 0 0 452.045 4.707 20 0 JJADRN CCC[C@@H]1CCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 ZINC001456806237 1066696619 /nfs/dbraw/zinc/69/66/19/1066696619.db2.gz VOLQBIMWYPMQRS-LJQANCHMSA-N 0 0 451.596 4.611 20 0 JJADRN COc1ccccc1OC[C@@H](C)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC001446365008 1066696853 /nfs/dbraw/zinc/69/68/53/1066696853.db2.gz VTHXIKBDNWPJDA-HNNXBMFYSA-N 0 0 456.539 4.901 20 0 JJADRN Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCSCC(C)C)CCO2)c1 ZINC001492624794 1066697438 /nfs/dbraw/zinc/69/74/38/1066697438.db2.gz PLVIRHKVVDHGLS-FQEVSTJZSA-N 0 0 489.089 4.788 20 0 JJADRN Cc1cnn(CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(Br)s2)c1 ZINC001492625947 1066697538 /nfs/dbraw/zinc/69/75/38/1066697538.db2.gz BIXXUMKEAIZDGQ-UHFFFAOYSA-N 0 0 451.438 4.532 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC001446377746 1066697760 /nfs/dbraw/zinc/69/77/60/1066697760.db2.gz JYMCZEAQYGDVES-IBGZPJMESA-N 0 0 453.542 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC001446376246 1066697794 /nfs/dbraw/zinc/69/77/94/1066697794.db2.gz FZPVSYJDBYBIOR-UHFFFAOYSA-N 0 0 458.549 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc3cc(Br)ccc3c1)C2 ZINC001456810219 1066697808 /nfs/dbraw/zinc/69/78/08/1066697808.db2.gz OEFLFUIVNAUYBN-RLLQIKCJSA-N 0 0 475.383 4.638 20 0 JJADRN Cc1cnn(CCn2c(C3CCCC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001492626696 1066698016 /nfs/dbraw/zinc/69/80/16/1066698016.db2.gz RMSPNJGTBBQTJV-UHFFFAOYSA-N 0 0 450.484 4.935 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001446378638 1066698533 /nfs/dbraw/zinc/69/85/33/1066698533.db2.gz NNKVJJPXOLKLGW-MHECFPHRSA-N 0 0 453.970 4.889 20 0 JJADRN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001446378612 1066698556 /nfs/dbraw/zinc/69/85/56/1066698556.db2.gz NMASRHLAYHLKGC-XGAFWQRZSA-N 0 0 450.533 4.696 20 0 JJADRN Cc1cnn(CCn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(Br)cc2)c1 ZINC001492627544 1066698680 /nfs/dbraw/zinc/69/86/80/1066698680.db2.gz BQNIHHFXHMPEMX-UHFFFAOYSA-N 0 0 471.428 4.534 20 0 JJADRN CNc1ncnc2cc(C(=O)N[C@H](c3c(C)nn(-c4ccccc4)c3C)C(F)(F)F)ccc21 ZINC001446381612 1066698986 /nfs/dbraw/zinc/69/89/86/1066698986.db2.gz JROOXLNDIBHRJZ-HXUWFJFHSA-N 0 0 454.456 4.507 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)c1 ZINC001492628072 1066699124 /nfs/dbraw/zinc/69/91/24/1066699124.db2.gz VEXBRGDHOCGBBT-PMACEKPBSA-N 0 0 468.671 4.690 20 0 JJADRN Cc1cccc([C@@H](C)CNC(=O)c2cccc(Br)c2I)c1 ZINC001456813630 1066699129 /nfs/dbraw/zinc/69/91/29/1066699129.db2.gz INWWMQGUDYMAOC-LBPRGKRZSA-N 0 0 458.137 4.896 20 0 JJADRN Cn1ncc(Br)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC001456813718 1066699322 /nfs/dbraw/zinc/69/93/22/1066699322.db2.gz NIBNLURAHOUYBF-UHFFFAOYSA-N 0 0 458.250 4.740 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384110 1066699935 /nfs/dbraw/zinc/69/99/35/1066699935.db2.gz CUQTYVSCKRXGFH-YJBOKZPZSA-N 0 0 453.421 4.879 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446384105 1066699966 /nfs/dbraw/zinc/69/99/66/1066699966.db2.gz CUQTYVSCKRXGFH-QAPCUYQASA-N 0 0 453.421 4.879 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1)CCC2 ZINC001492628555 1066700040 /nfs/dbraw/zinc/70/00/40/1066700040.db2.gz HHTFTLPTVZZMHP-LJQANCHMSA-N 0 0 454.594 4.604 20 0 JJADRN Cc1cn2c(n1)[C@@H](Cn1c(COc3ccc(C)c(C)c3)nnc1N(C)CCC(F)F)CCC2 ZINC001492628803 1066700255 /nfs/dbraw/zinc/70/02/55/1066700255.db2.gz NGLSGMLPGDJIKI-LJQANCHMSA-N 0 0 458.557 4.648 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)CCC2 ZINC001492628813 1066700267 /nfs/dbraw/zinc/70/02/67/1066700267.db2.gz NNGOELOACGCBND-ROUUACIJSA-N 0 0 493.603 4.524 20 0 JJADRN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(I)c[nH]1 ZINC001446386852 1066700323 /nfs/dbraw/zinc/70/03/23/1066700323.db2.gz WFQZMVGKVKDYFM-VFNWGFHPSA-N 0 0 456.327 4.838 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F ZINC001446389263 1066700339 /nfs/dbraw/zinc/70/03/39/1066700339.db2.gz RPTGNQUMFIIWKP-INIZCTEOSA-N 0 0 458.362 4.642 20 0 JJADRN CCCO[C@@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1C ZINC001456819761 1066700566 /nfs/dbraw/zinc/70/05/66/1066700566.db2.gz LYPCNWGNJUGSLQ-ISKFKSNPSA-N 0 0 454.542 4.557 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@@H](C)SCc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)o1 ZINC001456819490 1066700648 /nfs/dbraw/zinc/70/06/48/1066700648.db2.gz UNBRLEYDXGQGNH-GFCCVEGCSA-N 0 0 455.565 4.633 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492629382 1066700856 /nfs/dbraw/zinc/70/08/56/1066700856.db2.gz ANLODDFAFJYRCT-SMDDNHRTSA-N 0 0 467.462 4.546 20 0 JJADRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(F)c1F ZINC001446390642 1066700907 /nfs/dbraw/zinc/70/09/07/1066700907.db2.gz IFAWPSZEILNWAE-CYBMUJFWSA-N 0 0 450.894 4.910 20 0 JJADRN CC[C@H](O)CN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001446390351 1066701022 /nfs/dbraw/zinc/70/10/22/1066701022.db2.gz HGUVIIJAZJPLOL-FQEVSTJZSA-N 0 0 459.409 4.915 20 0 JJADRN CCCO[C@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(F)cc1C ZINC001456819791 1066701219 /nfs/dbraw/zinc/70/12/19/1066701219.db2.gz LYPCNWGNJUGSLQ-VWNXMTODSA-N 0 0 454.542 4.557 20 0 JJADRN O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c2)o1 ZINC001446395664 1066701559 /nfs/dbraw/zinc/70/15/59/1066701559.db2.gz NNJJZVJIERAAIF-ZDUSSCGKSA-N 0 0 450.438 4.960 20 0 JJADRN CCc1ncc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)cn1 ZINC001446395400 1066701589 /nfs/dbraw/zinc/70/15/89/1066701589.db2.gz NLOWFCZJIGAMRT-UHFFFAOYSA-N 0 0 452.580 4.698 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 ZINC001492629866 1066701886 /nfs/dbraw/zinc/70/18/86/1066701886.db2.gz JGXXIYGSRWNQKX-LAJNKCICSA-N 0 0 479.437 4.522 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1 ZINC001456825930 1066701872 /nfs/dbraw/zinc/70/18/72/1066701872.db2.gz IHTBAOGGAJUXHE-UHFFFAOYSA-N 0 0 454.529 4.585 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546085099 1066701881 /nfs/dbraw/zinc/70/18/81/1066701881.db2.gz DXGXVZJFPAUUDQ-GUYCJALGSA-N 0 0 497.381 4.742 20 0 JJADRN CC(C)(CNC(=O)c1[nH]nc2ccc(Br)cc21)c1ccccc1Br ZINC001446398819 1066702024 /nfs/dbraw/zinc/70/20/24/1066702024.db2.gz UCWUTFXLFYKZHD-UHFFFAOYSA-N 0 0 451.162 4.796 20 0 JJADRN O=C(C[C@@H](n1cccn1)C(F)(F)F)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001456827918 1066702229 /nfs/dbraw/zinc/70/22/29/1066702229.db2.gz YWWUXWDRGRYWSF-OAHLLOKOSA-N 0 0 455.234 4.965 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492629894 1066702571 /nfs/dbraw/zinc/70/25/71/1066702571.db2.gz JQMGOVMRHBFIQR-SZBYFXKWSA-N 0 0 480.663 4.844 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC2CC3(C2)COC(C)(C)C3)cc1 ZINC001456831787 1066702958 /nfs/dbraw/zinc/70/29/58/1066702958.db2.gz RJOHQODQKWBFGE-UHFFFAOYSA-N 0 0 459.633 4.709 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ccccc2)CCO1 ZINC001546085122 1066703007 /nfs/dbraw/zinc/70/30/07/1066703007.db2.gz DZQSUCSZNSKNPD-ZHRRBRCNSA-N 0 0 458.404 4.845 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001446419424 1066703129 /nfs/dbraw/zinc/70/31/29/1066703129.db2.gz GLUQQXGTRSDRGF-NRFANRHFSA-N 0 0 454.311 4.813 20 0 JJADRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2csc(-c3sccc3Br)n2)no1 ZINC001456834689 1066703443 /nfs/dbraw/zinc/70/34/43/1066703443.db2.gz UBBCDIADAQSBGK-ZDUSSCGKSA-N 0 0 453.387 4.622 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)s1 ZINC001492630200 1066703464 /nfs/dbraw/zinc/70/34/64/1066703464.db2.gz PPWSJLTVNAQGQN-OAHLLOKOSA-N 0 0 482.013 4.637 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001446421439 1066703503 /nfs/dbraw/zinc/70/35/03/1066703503.db2.gz FONMDKFZNVJWDB-LJQANCHMSA-N 0 0 457.368 4.945 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC001492630295 1066703997 /nfs/dbraw/zinc/70/39/97/1066703997.db2.gz RIXLLAUGDZSEMY-RDJZCZTQSA-N 0 0 488.061 4.874 20 0 JJADRN CN(CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)C(=O)OC(C)(C)C ZINC001446425812 1066704131 /nfs/dbraw/zinc/70/41/31/1066704131.db2.gz MHFJCABAFYQAKC-QHCPKHFHSA-N 0 0 454.611 4.628 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc2cccnc2cc1Br ZINC001446428129 1066704171 /nfs/dbraw/zinc/70/41/71/1066704171.db2.gz CNOAWGVMQNEOGD-CQSZACIVSA-N 0 0 450.377 4.649 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)s1 ZINC001492630385 1066704566 /nfs/dbraw/zinc/70/45/66/1066704566.db2.gz SXNPOPRDPRNLBX-INIZCTEOSA-N 0 0 453.616 4.511 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)CC2(Cl)Cl)cc1 ZINC001446428287 1066704519 /nfs/dbraw/zinc/70/45/19/1066704519.db2.gz PELYAVDSXUXWCZ-REWPJTCUSA-N 0 0 450.406 4.819 20 0 JJADRN Cc1cccn2cc(COc3ccccc3C(=O)NC[C@H](c3ccccc3)C(C)(C)CO)nc12 ZINC001446428478 1066704547 /nfs/dbraw/zinc/70/45/47/1066704547.db2.gz QBEBBZAUKZPAKV-XMMPIXPASA-N 0 0 457.574 4.754 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001446428648 1066704658 /nfs/dbraw/zinc/70/46/58/1066704658.db2.gz TVVPPUDDPYFJHR-ZEQRLZLVSA-N 0 0 451.611 4.779 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)c1nn(C)cc1Br)c1ccccc1C(=O)OC ZINC001456841040 1066704544 /nfs/dbraw/zinc/70/45/44/1066704544.db2.gz YPMDKAJVKMKLSR-HNNXBMFYSA-N 0 0 450.377 4.975 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546085203 1066704618 /nfs/dbraw/zinc/70/46/18/1066704618.db2.gz GQULMULJHODGAG-WMZHIEFXSA-N 0 0 495.462 4.783 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(CO)CC2)s1 ZINC001492630478 1066705019 /nfs/dbraw/zinc/70/50/19/1066705019.db2.gz VCFDOCOZVOLESB-OAHLLOKOSA-N 0 0 490.471 4.793 20 0 JJADRN CC(C)(CO)[C@H](CNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC001446430895 1066705079 /nfs/dbraw/zinc/70/50/79/1066705079.db2.gz WJFCPQMTCSFNEK-HSZRJFAPSA-N 0 0 458.537 4.606 20 0 JJADRN Cc1cc(C)cc(C2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)CC2)c1 ZINC001456844382 1066705304 /nfs/dbraw/zinc/70/53/04/1066705304.db2.gz JTYVSWGMYAGHGV-UHFFFAOYSA-N 0 0 458.599 4.637 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630601 1066705582 /nfs/dbraw/zinc/70/55/82/1066705582.db2.gz XNZCMZCSQJVYQT-HKUYNNGSSA-N 0 0 499.685 4.593 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492630693 1066705610 /nfs/dbraw/zinc/70/56/10/1066705610.db2.gz ZBJLIBUUZARHHF-JTQLQIEISA-N 0 0 477.354 4.993 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 ZINC001492630703 1066705671 /nfs/dbraw/zinc/70/56/71/1066705671.db2.gz ZGIGPPYYDCJHKB-IIDMSEBBSA-N 0 0 465.545 4.978 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)NC2CC3(C2)COC(C)(C)C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001456849326 1066705767 /nfs/dbraw/zinc/70/57/67/1066705767.db2.gz OWVDKWGHHLNJLO-DHUPRWGQSA-N 0 0 450.982 4.631 20 0 JJADRN Cc1c(NC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cnn1-c1ccccc1F ZINC001446435498 1066705737 /nfs/dbraw/zinc/70/57/37/1066705737.db2.gz ZYCJKEDVAMWBEM-UHFFFAOYSA-N 0 0 456.543 4.927 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001545985866 1066705768 /nfs/dbraw/zinc/70/57/68/1066705768.db2.gz QRVAPUSTVMCFLM-XSGBVPCISA-N 0 0 451.995 4.602 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)NCc3cc4cccnc4cc3Br)c12 ZINC001446434491 1066705773 /nfs/dbraw/zinc/70/57/73/1066705773.db2.gz RCYTYIOXPQOVOI-UHFFFAOYSA-N 0 0 453.340 4.978 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC001456854942 1066706217 /nfs/dbraw/zinc/70/62/17/1066706217.db2.gz OTUISSYDGBABMR-UHFFFAOYSA-N 0 0 455.483 4.668 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1)NC(=O)OC(C)(C)C ZINC001545986161 1066706328 /nfs/dbraw/zinc/70/63/28/1066706328.db2.gz AGTQYKVKQCAUIY-ZWKOTPCHSA-N 0 0 489.583 4.992 20 0 JJADRN CS[C@H]1CCCCN(C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC001446444521 1066706347 /nfs/dbraw/zinc/70/63/47/1066706347.db2.gz SPUCREQKFOGSNG-AWEZNQCLSA-N 0 0 451.683 4.643 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1S(=O)(=O)NCc1ccccc1 ZINC001446457812 1066706361 /nfs/dbraw/zinc/70/63/61/1066706361.db2.gz LCTKZKMZTQIJIZ-UHFFFAOYSA-N 0 0 452.576 4.729 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492630896 1066706719 /nfs/dbraw/zinc/70/67/19/1066706719.db2.gz BYPHYTFWIQGKCT-WMZOPIPTSA-N 0 0 476.691 4.881 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492630931 1066706812 /nfs/dbraw/zinc/70/68/12/1066706812.db2.gz CGAAQSHGBJPQMQ-LVCYWYKZSA-N 0 0 469.655 4.904 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(C)C)c(O)cc3C)CC2)c(C)c1 ZINC001446468298 1066706802 /nfs/dbraw/zinc/70/68/02/1066706802.db2.gz QRJCOOMPCYHALK-UHFFFAOYSA-N 0 0 458.624 4.789 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001456858034 1066706881 /nfs/dbraw/zinc/70/68/81/1066706881.db2.gz SKHQGMFKAQXKPO-TZIWHRDSSA-N 0 0 458.599 4.890 20 0 JJADRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001446462477 1066707045 /nfs/dbraw/zinc/70/70/45/1066707045.db2.gz UXNJARPVNCQOAX-HIFRSBDPSA-N 0 0 452.454 4.591 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631196 1066707268 /nfs/dbraw/zinc/70/72/68/1066707268.db2.gz HQPQDVIOBUSZOL-WMZOPIPTSA-N 0 0 474.675 4.807 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492631420 1066707846 /nfs/dbraw/zinc/70/78/46/1066707846.db2.gz KLYOORZASMPKKM-YOEHRIQHSA-N 0 0 476.444 4.750 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1)OC ZINC001545986439 1066708014 /nfs/dbraw/zinc/70/80/14/1066708014.db2.gz FSPGZTPKMCJTFR-NHCUHLMSSA-N 0 0 463.667 4.690 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545986577 1066708495 /nfs/dbraw/zinc/70/84/95/1066708495.db2.gz HSEQEBHLAQRILP-UXHICEINSA-N 0 0 461.651 4.984 20 0 JJADRN Cc1c(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)sc2c1CCCC2 ZINC001456864343 1066708895 /nfs/dbraw/zinc/70/88/95/1066708895.db2.gz OIVQERCULGLHEW-UHFFFAOYSA-N 0 0 456.427 4.890 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492631868 1066709002 /nfs/dbraw/zinc/70/90/02/1066709002.db2.gz SMIPOZSAANPHTR-WBVHZDCISA-N 0 0 461.582 4.721 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(OCCC(C)C)CC2)s1 ZINC001492631882 1066709080 /nfs/dbraw/zinc/70/90/80/1066709080.db2.gz SZXCCQGGNJXWDG-ICSRJNTNSA-N 0 0 461.676 4.772 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001446482778 1066709253 /nfs/dbraw/zinc/70/92/53/1066709253.db2.gz BWUYHJRFHNSBBW-OALUTQOASA-N 0 0 454.420 4.751 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)s1 ZINC001492631964 1066709443 /nfs/dbraw/zinc/70/94/43/1066709443.db2.gz UWHXYGSBBKREIU-UYAOXDASSA-N 0 0 466.655 4.535 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492631943 1066709461 /nfs/dbraw/zinc/70/94/61/1066709461.db2.gz USAXEMWPXKWJRK-AZUAARDMSA-N 0 0 455.628 4.646 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC001446486742 1066709673 /nfs/dbraw/zinc/70/96/73/1066709673.db2.gz LFZSGPQUBMLSHP-DENIHFKCSA-N 0 0 456.949 4.741 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC001492632186 1066709916 /nfs/dbraw/zinc/70/99/16/1066709916.db2.gz YJYKYUJFFXKNCB-QGZVFWFLSA-N 0 0 484.645 4.537 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492632385 1066710411 /nfs/dbraw/zinc/71/04/11/1066710411.db2.gz DCWRZOFLMXTOLN-LJQANCHMSA-N 0 0 453.656 4.621 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)C2)s1 ZINC001492632422 1066710423 /nfs/dbraw/zinc/71/04/23/1066710423.db2.gz DXIZCIJBPYWGMT-WMZOPIPTSA-N 0 0 490.674 4.534 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)OCc3nc(Cc4ccc(F)cc4)no3)s2)cc1 ZINC001456868997 1066710685 /nfs/dbraw/zinc/71/06/85/1066710685.db2.gz VNQJFZDYYSNUDZ-UHFFFAOYSA-N 0 0 453.495 4.987 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1 ZINC001446494104 1066710627 /nfs/dbraw/zinc/71/06/27/1066710627.db2.gz NHNOAUVYAMHZFY-NRFANRHFSA-N 0 0 455.555 4.649 20 0 JJADRN COc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)ccc1OCc1ccc(Br)s1 ZINC001446498026 1066710708 /nfs/dbraw/zinc/71/07/08/1066710708.db2.gz DBHNFRCMWUCQIY-CQSZACIVSA-N 0 0 456.402 4.625 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1)c1cccs1 ZINC001446491548 1066710784 /nfs/dbraw/zinc/71/07/84/1066710784.db2.gz ZSVAYHATGNZYQW-YADHBBJMSA-N 0 0 452.551 4.546 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C)C2)s1 ZINC001492632426 1066710908 /nfs/dbraw/zinc/71/09/08/1066710908.db2.gz FAPMZLBFDRGFJV-JZXOWHBKSA-N 0 0 460.648 4.765 20 0 JJADRN CO[C@@]1(C)C[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(C)C ZINC001456871176 1066711097 /nfs/dbraw/zinc/71/10/97/1066711097.db2.gz IIVWUOVENWQDKJ-JPYJTQIMSA-N 0 0 458.484 4.887 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c1)c1ccccc1 ZINC001446500086 1066711203 /nfs/dbraw/zinc/71/12/03/1066711203.db2.gz KMABOUCWEWLVTP-AWEZNQCLSA-N 0 0 454.939 4.508 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC001446502655 1066711329 /nfs/dbraw/zinc/71/13/29/1066711329.db2.gz WIONEHAZGVTHBE-DQEYMECFSA-N 0 0 458.533 4.951 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)s1 ZINC001492632697 1066711414 /nfs/dbraw/zinc/71/14/14/1066711414.db2.gz KLNDACURUTYKGH-GOEBONIOSA-N 0 0 484.617 4.572 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CCN(c4ccc(Cl)cn4)CC3)nnc2C(C)(C)C)s1 ZINC001492632629 1066711428 /nfs/dbraw/zinc/71/14/28/1066711428.db2.gz JKALNDPUDKRJLP-OAHLLOKOSA-N 0 0 460.051 4.519 20 0 JJADRN O=C(Nc1n[nH]c2c1cccc2Cl)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001446505437 1066711661 /nfs/dbraw/zinc/71/16/61/1066711661.db2.gz OHRLTWJCTGOGEI-UHFFFAOYSA-N 0 0 450.848 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC001456872144 1066711746 /nfs/dbraw/zinc/71/17/46/1066711746.db2.gz BENPLEKPMOBNEN-AWEZNQCLSA-N 0 0 450.377 4.840 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492632856 1066711944 /nfs/dbraw/zinc/71/19/44/1066711944.db2.gz OPVNLUTXKGOGMD-LJQANCHMSA-N 0 0 496.681 4.689 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)s1 ZINC001492632699 1066711983 /nfs/dbraw/zinc/71/19/83/1066711983.db2.gz KLNDACURUTYKGH-ZBFHGGJFSA-N 0 0 484.617 4.572 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001492632722 1066712062 /nfs/dbraw/zinc/71/20/62/1066712062.db2.gz LCMQWDYOFNDAEG-GOSISDBHSA-N 0 0 469.655 4.862 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001456876281 1066712128 /nfs/dbraw/zinc/71/21/28/1066712128.db2.gz AWPISXCJOKGLFZ-UHFFFAOYSA-N 0 0 457.383 4.561 20 0 JJADRN C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Oc1cccc(Cl)c1 ZINC001456876389 1066712205 /nfs/dbraw/zinc/71/22/05/1066712205.db2.gz ZNHKHMXTJTVFFD-OAHLLOKOSA-N 0 0 456.391 4.664 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001456876917 1066712285 /nfs/dbraw/zinc/71/22/85/1066712285.db2.gz ZQTIDTOYFFCPAT-RPBOFIJWSA-N 0 0 450.623 4.872 20 0 JJADRN CCOC(=O)Nc1scnc1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001446507761 1066712371 /nfs/dbraw/zinc/71/23/71/1066712371.db2.gz MNHKTEUTEBIUBZ-UHFFFAOYSA-N 0 0 455.927 4.634 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1C ZINC001456878662 1066712684 /nfs/dbraw/zinc/71/26/84/1066712684.db2.gz CCZQFMJCXAJLBM-SANMLTNESA-N 0 0 454.567 4.535 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1C ZINC001456878659 1066712871 /nfs/dbraw/zinc/71/28/71/1066712871.db2.gz CCZQFMJCXAJLBM-AREMUKBSSA-N 0 0 454.567 4.535 20 0 JJADRN COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC001446512985 1066712946 /nfs/dbraw/zinc/71/29/46/1066712946.db2.gz FFWMRWOHGCYOAX-INIZCTEOSA-N 0 0 450.322 4.805 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)nnc2C(C)(C)C)s1 ZINC001492633109 1066712952 /nfs/dbraw/zinc/71/29/52/1066712952.db2.gz UWCFHXAICIVMPS-MJGOQNOKSA-N 0 0 466.655 4.634 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001456882569 1066713248 /nfs/dbraw/zinc/71/32/48/1066713248.db2.gz MIWPBRJNQJIQTB-GBESFXJTSA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C)n3Cc3cccc(NC(=O)CC(C)C)c3)CC2)s1 ZINC001492633141 1066713493 /nfs/dbraw/zinc/71/34/93/1066713493.db2.gz VKJUOHNYYZBVKA-UHFFFAOYSA-N 0 0 452.628 4.768 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2cccs2)s1 ZINC001492633213 1066713520 /nfs/dbraw/zinc/71/35/20/1066713520.db2.gz WRNRETWMNNRUBA-CQSZACIVSA-N 0 0 458.682 4.943 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001446516294 1066713611 /nfs/dbraw/zinc/71/36/11/1066713611.db2.gz SMNVOMPBBKETEZ-MHHVOYGZSA-N 0 0 472.674 4.532 20 0 JJADRN COc1ccc([C@H](NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)c2ccccc2OC)cc1 ZINC001446517258 1066713691 /nfs/dbraw/zinc/71/36/91/1066713691.db2.gz OBCKAGOLLSDRFU-FJDUUPPCSA-N 0 0 454.567 4.603 20 0 JJADRN CCc1nsc(N2CCCN(C(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC001456885326 1066713870 /nfs/dbraw/zinc/71/38/70/1066713870.db2.gz RZRFBPIFCBGKSL-OAQYLSRUSA-N 0 0 456.612 4.812 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC001446519998 1066714059 /nfs/dbraw/zinc/71/40/59/1066714059.db2.gz XWQAYFQUUHKXAE-LADGPHEKSA-N 0 0 451.954 4.744 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001492633360 1066714044 /nfs/dbraw/zinc/71/40/44/1066714044.db2.gz AVEPTVWJXOKHDD-IBGZPJMESA-N 0 0 492.393 4.584 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(Br)cc3)nnc2Nc2cnn(C)c2)s1 ZINC001492633344 1066714083 /nfs/dbraw/zinc/71/40/83/1066714083.db2.gz YSTASJMSDADHGF-ZDUSSCGKSA-N 0 0 488.415 4.665 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCCC3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446520630 1066714692 /nfs/dbraw/zinc/71/46/92/1066714692.db2.gz PXCRPEARXMHYDJ-VGSWGCGISA-N 0 0 458.965 4.801 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)o1 ZINC001456889463 1066714713 /nfs/dbraw/zinc/71/47/13/1066714713.db2.gz VTCJOMYJRACXKR-SFHVURJKSA-N 0 0 458.555 4.777 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492633684 1066715458 /nfs/dbraw/zinc/71/54/58/1066715458.db2.gz KZPVRIWFAFJMMN-OAHLLOKOSA-N 0 0 499.040 4.816 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2cnccc2OC(C)(C)C)cc1 ZINC001446526186 1066715549 /nfs/dbraw/zinc/71/55/49/1066715549.db2.gz FNSVNKRERTYPPR-UHFFFAOYSA-N 0 0 457.571 4.734 20 0 JJADRN Cc1ccc(CC[C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC001456893017 1066715952 /nfs/dbraw/zinc/71/59/52/1066715952.db2.gz QISDODOUJLMIRH-INIZCTEOSA-N 0 0 453.004 4.557 20 0 JJADRN CCOC(=O)C1(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001446527391 1066716017 /nfs/dbraw/zinc/71/60/17/1066716017.db2.gz KTWBRPHWKKFAMD-HSZRJFAPSA-N 0 0 454.998 4.697 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)Cc1ccccc1OC ZINC001446531525 1066716610 /nfs/dbraw/zinc/71/66/10/1066716610.db2.gz BXVKOLQMIUIALN-IFMUVIIVSA-N 0 0 453.535 4.724 20 0 JJADRN COC(=O)[C@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)Cc1ccccc1OC ZINC001446531539 1066716752 /nfs/dbraw/zinc/71/67/52/1066716752.db2.gz BXVKOLQMIUIALN-XUDAUXSOSA-N 0 0 453.535 4.724 20 0 JJADRN COc1cccc(O[C@H](C)CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC001456897364 1066716891 /nfs/dbraw/zinc/71/68/91/1066716891.db2.gz RKOCKPVCNXVQRW-OAHLLOKOSA-N 0 0 453.539 4.800 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)OCc2ccccc2)cc1OC ZINC001446531559 1066717165 /nfs/dbraw/zinc/71/71/65/1066717165.db2.gz PPFQCACJPFOONC-UHFFFAOYSA-N 0 0 457.530 4.819 20 0 JJADRN CN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001446532554 1066717231 /nfs/dbraw/zinc/71/72/31/1066717231.db2.gz TVCYPVXZMNSTAP-YOFSQIOKSA-N 0 0 459.974 4.926 20 0 JJADRN CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001446534114 1066717249 /nfs/dbraw/zinc/71/72/49/1066717249.db2.gz YLMNEBBIHWTHFG-SWDXFRIISA-N 0 0 457.398 4.806 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC001446532353 1066717273 /nfs/dbraw/zinc/71/72/73/1066717273.db2.gz XVBRWBSUAGPTDN-UHFFFAOYSA-N 0 0 455.983 4.974 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N(CCc3ccc(C)cc3)CC(F)(F)F)CC2=O)c1 ZINC001456900307 1066717300 /nfs/dbraw/zinc/71/73/00/1066717300.db2.gz YMVRZILAQCUQPH-GOSISDBHSA-N 0 0 450.526 4.703 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001492634946 1066718306 /nfs/dbraw/zinc/71/83/06/1066718306.db2.gz CKHRRZUKQCAETA-LJQANCHMSA-N 0 0 451.615 4.781 20 0 JJADRN C[C@@H](CC(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1cnn(C)c1 ZINC001456906723 1066718582 /nfs/dbraw/zinc/71/85/82/1066718582.db2.gz RMXIIBBACVICJA-HNNXBMFYSA-N 0 0 452.356 4.713 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)NCc3csc(=NC(=O)OC(C)(C)C)[nH]3)nc2)cc1 ZINC001456909116 1066718609 /nfs/dbraw/zinc/71/86/09/1066718609.db2.gz YLUYWCJAVUCHNM-UHFFFAOYSA-N 0 0 456.524 4.616 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC001446541772 1066718947 /nfs/dbraw/zinc/71/89/47/1066718947.db2.gz JUFOCYZSYHAFLB-HXUWFJFHSA-N 0 0 457.640 4.988 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001492635492 1066718949 /nfs/dbraw/zinc/71/89/49/1066718949.db2.gz STISPPKUZIFTKM-UHFFFAOYSA-N 0 0 455.647 4.600 20 0 JJADRN CCN(C(=O)CSc1nncn1-c1ccc(OC)cc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001456910648 1066718994 /nfs/dbraw/zinc/71/89/94/1066718994.db2.gz HOFFDGJLRIGIIN-JOCHJYFZSA-N 0 0 456.587 4.623 20 0 JJADRN Cc1coc(C)c1Cn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001492635904 1066719361 /nfs/dbraw/zinc/71/93/61/1066719361.db2.gz DNFXEVBWCMQEIS-UHFFFAOYSA-N 0 0 457.525 4.622 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001492635771 1066719491 /nfs/dbraw/zinc/71/94/91/1066719491.db2.gz AESIDMIZVXUVFF-LIRRHRJNSA-N 0 0 484.906 4.925 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cc3c(cccc3Cl)s2)c1 ZINC001446545597 1066719362 /nfs/dbraw/zinc/71/93/62/1066719362.db2.gz ZXKWMONYFBVEQV-UHFFFAOYSA-N 0 0 452.001 4.879 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001446551442 1066719410 /nfs/dbraw/zinc/71/94/10/1066719410.db2.gz GSPNAKMMUDDYGS-NJDAHSKKSA-N 0 0 450.645 4.528 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC001456911806 1066719582 /nfs/dbraw/zinc/71/95/82/1066719582.db2.gz GMBYPRRXQBKQHC-XGCMIMOYSA-N 0 0 458.274 4.775 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC001456911804 1066719615 /nfs/dbraw/zinc/71/96/15/1066719615.db2.gz GMBYPRRXQBKQHC-QHSLDKKCSA-N 0 0 458.274 4.775 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)ccn1 ZINC001446551648 1066720078 /nfs/dbraw/zinc/72/00/78/1066720078.db2.gz GWPDZNBGJYTQKA-XZOQPEGZSA-N 0 0 453.583 4.615 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC001446552107 1066720116 /nfs/dbraw/zinc/72/01/16/1066720116.db2.gz IZGWIMGHAONKJW-CCDWMCETSA-N 0 0 450.579 4.540 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC001492636365 1066720601 /nfs/dbraw/zinc/72/06/01/1066720601.db2.gz BTQZBVDWSZXTEI-NEWSRXKRSA-N 0 0 474.675 4.806 20 0 JJADRN CNc1ncc(C(=O)Nc2nc3c(cc(OC(F)(F)F)cc3Br)s2)s1 ZINC001446562948 1066720676 /nfs/dbraw/zinc/72/06/76/1066720676.db2.gz BAMCVUNPAHLXIH-UHFFFAOYSA-N 0 0 453.265 4.708 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001456916619 1066720641 /nfs/dbraw/zinc/72/06/41/1066720641.db2.gz KYVQDJPVVFFVBQ-HTAPYJJXSA-N 0 0 451.567 4.591 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)C2)cc1 ZINC001456916591 1066720694 /nfs/dbraw/zinc/72/06/94/1066720694.db2.gz CAAYIOMPGIBLLV-RMTZWNOUSA-N 0 0 477.649 4.806 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC001456917082 1066721119 /nfs/dbraw/zinc/72/11/19/1066721119.db2.gz SOQYKUHYAHCKDX-SJORKVTESA-N 0 0 450.526 4.918 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC001456917057 1066721133 /nfs/dbraw/zinc/72/11/33/1066721133.db2.gz SOQYKUHYAHCKDX-DLBZAZTESA-N 0 0 450.526 4.918 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[C@@H](COCc2ccccc2)C1 ZINC001456917844 1066721185 /nfs/dbraw/zinc/72/11/85/1066721185.db2.gz VILVDYJAUGXSSW-LJQANCHMSA-N 0 0 456.995 4.983 20 0 JJADRN CC(C)C[C@H](C)NC(=O)c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001446566531 1066721223 /nfs/dbraw/zinc/72/12/23/1066721223.db2.gz MGNAQSGCSYRWJH-AWEZNQCLSA-N 0 0 455.393 4.743 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446564559 1066721309 /nfs/dbraw/zinc/72/13/09/1066721309.db2.gz GVHUGKYPSHEIDW-QRWLVFNGSA-N 0 0 450.938 4.876 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001456917049 1066721373 /nfs/dbraw/zinc/72/13/73/1066721373.db2.gz SNTDBQPQGJCEKK-QGZVFWFLSA-N 0 0 451.489 4.876 20 0 JJADRN Cc1coc(C)c1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492636532 1066721659 /nfs/dbraw/zinc/72/16/59/1066721659.db2.gz UHUGWXLSESHVFQ-HXUWFJFHSA-N 0 0 479.625 4.767 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1csc(I)n1 ZINC001456919506 1066721697 /nfs/dbraw/zinc/72/16/97/1066721697.db2.gz YSNCCLDJBHRVNF-SNVBAGLBSA-N 0 0 454.255 4.518 20 0 JJADRN O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CC[C@H](COCc2ccccc2)C1 ZINC001456919577 1066721752 /nfs/dbraw/zinc/72/17/52/1066721752.db2.gz ZKFLRAJRGIIEFC-SFHVURJKSA-N 0 0 456.468 4.918 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)C1 ZINC001456919612 1066721771 /nfs/dbraw/zinc/72/17/71/1066721771.db2.gz IKRJRZFLXNTBDX-MOPGFXCFSA-N 0 0 455.653 4.780 20 0 JJADRN COc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C(=O)OC(C)(C)C)c1 ZINC001446569025 1066721821 /nfs/dbraw/zinc/72/18/21/1066721821.db2.gz OGGPPMCHHQZHHJ-HXUWFJFHSA-N 0 0 458.530 4.994 20 0 JJADRN Cc1coc(C)c1Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492636691 1066722144 /nfs/dbraw/zinc/72/21/44/1066722144.db2.gz WAINHCLULHNALK-NIYFSFCBSA-N 0 0 452.599 4.817 20 0 JJADRN Cc1coc(C)c1Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492636692 1066722180 /nfs/dbraw/zinc/72/21/80/1066722180.db2.gz WAINHCLULHNALK-SIBVEZHUSA-N 0 0 452.599 4.817 20 0 JJADRN O=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1Sc1ccc(Br)cn1 ZINC001446571150 1066722211 /nfs/dbraw/zinc/72/22/11/1066722211.db2.gz PWFPHHDBSOTINC-JOCHJYFZSA-N 0 0 455.377 4.559 20 0 JJADRN C[C@H]1CN(C(=O)CCCCc2ccc(I)cc2)c2ccc(F)cc2O1 ZINC001456919738 1066722333 /nfs/dbraw/zinc/72/23/33/1066722333.db2.gz WGDDLIVMPVXGCI-AWEZNQCLSA-N 0 0 453.295 4.957 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC001446570947 1066722350 /nfs/dbraw/zinc/72/23/50/1066722350.db2.gz OXONPXNDDGQUPU-HSZRJFAPSA-N 0 0 458.942 4.665 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H]2CCOC2)n1 ZINC001492637049 1066722613 /nfs/dbraw/zinc/72/26/13/1066722613.db2.gz KABOBWDUGVRKNE-YPMHNXCESA-N 0 0 468.446 4.563 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492637119 1066722646 /nfs/dbraw/zinc/72/26/46/1066722646.db2.gz LFDWNMDGSNEOKB-SJLPKXTDSA-N 0 0 462.664 4.663 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C ZINC001446572302 1066722954 /nfs/dbraw/zinc/72/29/54/1066722954.db2.gz XBZBYJQEOROUKM-KRWDZBQOSA-N 0 0 451.571 4.570 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)(C)C ZINC001456924233 1066723373 /nfs/dbraw/zinc/72/33/73/1066723373.db2.gz KLQKJNUJINCJRE-JOCHJYFZSA-N 0 0 455.555 4.847 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](C)Oc3ccc(F)cc3)[C@H]2c2cccs2)cc1 ZINC001456925155 1066723418 /nfs/dbraw/zinc/72/34/18/1066723418.db2.gz UGGGQASFMCKBAY-JBUDQFAYSA-N 0 0 452.551 4.874 20 0 JJADRN C[C@H](NC(=O)c1scc(Br)c1Br)c1cccc(-n2cccn2)c1 ZINC001456925361 1066723426 /nfs/dbraw/zinc/72/34/26/1066723426.db2.gz GKSVYHBYJVXRIW-JTQLQIEISA-N 0 0 455.175 4.950 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC001456924466 1066723491 /nfs/dbraw/zinc/72/34/91/1066723491.db2.gz DCMWDOOXAUANBF-VFNWGFHPSA-N 0 0 457.361 4.661 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)nn1-c1ccccc1Br ZINC001456926464 1066723498 /nfs/dbraw/zinc/72/34/98/1066723498.db2.gz RLPRIOXKXCOKLB-SFHVURJKSA-N 0 0 453.384 4.650 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1cc(C)n(C2CCOCC2)c1C)c1ccc(C(F)(F)F)cc1 ZINC001456927288 1066723854 /nfs/dbraw/zinc/72/38/54/1066723854.db2.gz BJJIPHSACIKZHZ-FQEVSTJZSA-N 0 0 452.473 4.509 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC001446587155 1066724024 /nfs/dbraw/zinc/72/40/24/1066724024.db2.gz VNCMGYGKOZZOSC-AEFFLSMTSA-N 0 0 453.391 4.646 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545987546 1066724032 /nfs/dbraw/zinc/72/40/32/1066724032.db2.gz ULGDDUMEHLGXJP-JAXLGGSGSA-N 0 0 487.620 4.608 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCCCO)n1 ZINC001492637804 1066724543 /nfs/dbraw/zinc/72/45/43/1066724543.db2.gz ZXLGQGPCWXJAIK-OAHLLOKOSA-N 0 0 478.460 4.875 20 0 JJADRN CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001446589537 1066724554 /nfs/dbraw/zinc/72/45/54/1066724554.db2.gz SIHKKNLGAGXVQP-GOSISDBHSA-N 0 0 458.971 4.662 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nn2cc(Br)cn2)cc1C ZINC001446591408 1066724597 /nfs/dbraw/zinc/72/45/97/1066724597.db2.gz MOKYPHOMOHANHQ-UHFFFAOYSA-N 0 0 450.340 4.558 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001545987592 1066724649 /nfs/dbraw/zinc/72/46/49/1066724649.db2.gz UWPAAWHSJWXCOM-MSOLQXFVSA-N 0 0 498.521 4.517 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)n1 ZINC001492637977 1066725059 /nfs/dbraw/zinc/72/50/59/1066725059.db2.gz BJHDDUDFQUUGNU-AZUAARDMSA-N 0 0 476.650 4.996 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)c2ccccc2)n1 ZINC001492637923 1066725207 /nfs/dbraw/zinc/72/52/07/1066725207.db2.gz AXKFEALPZAGDPK-ROUUACIJSA-N 0 0 463.655 4.948 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)c(F)c1)OC ZINC001545987689 1066725617 /nfs/dbraw/zinc/72/56/17/1066725617.db2.gz VOGLZAIDGDHNSJ-RTBURBONSA-N 0 0 493.599 4.732 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001446611340 1066725700 /nfs/dbraw/zinc/72/57/00/1066725700.db2.gz HFWRHYCPSSSXIE-IBGZPJMESA-N 0 0 456.999 4.816 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCc2cccs2)n1 ZINC001492638119 1066725675 /nfs/dbraw/zinc/72/56/75/1066725675.db2.gz CYPTVXURCYVKKB-HNNXBMFYSA-N 0 0 486.692 4.579 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1cnc(-c2ccccc2Br)s1)CC1CCCC1 ZINC001456936045 1066725919 /nfs/dbraw/zinc/72/59/19/1066725919.db2.gz IMOAHMJAWDMDFS-AWEZNQCLSA-N 0 0 451.386 4.672 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c(I)cc1Cl ZINC001456937090 1066725978 /nfs/dbraw/zinc/72/59/78/1066725978.db2.gz KDMJALUPQSTQTA-ACJLOTCBSA-N 0 0 455.723 4.855 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3ccoc3C)CC2)n1 ZINC001492638273 1066726105 /nfs/dbraw/zinc/72/61/05/1066726105.db2.gz DNLYCTVRIAJCPW-MRXNPFEDSA-N 0 0 484.670 4.736 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC001545987811 1066726501 /nfs/dbraw/zinc/72/65/01/1066726501.db2.gz XEDAXEFTVHJNFC-XWMVMJOLSA-N 0 0 453.631 4.597 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2CCC2(OC)CCC2)CCO1 ZINC001546085427 1066726507 /nfs/dbraw/zinc/72/65/07/1066726507.db2.gz LHGBWJZCBDRARB-JOCHJYFZSA-N 0 0 493.446 4.681 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)[C@@H](C)c3ccco3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492638650 1066727170 /nfs/dbraw/zinc/72/71/70/1066727170.db2.gz JFUGCCDNAIPWIE-QSAZIKIQSA-N 0 0 459.616 4.678 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC001545987825 1066727247 /nfs/dbraw/zinc/72/72/47/1066727247.db2.gz XJJWWRUDXUKFHW-ZWKOTPCHSA-N 0 0 489.583 4.644 20 0 JJADRN COc1ccc([C@H](CC(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)NC(C)=O)cc1 ZINC001456946922 1066727489 /nfs/dbraw/zinc/72/74/89/1066727489.db2.gz ZVUGFHKTKPUMBP-QHCPKHFHSA-N 0 0 456.546 4.857 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCc2ccc(Cl)cc2)n1 ZINC001492638947 1066727545 /nfs/dbraw/zinc/72/75/45/1066727545.db2.gz KMKOUHKZVHJZCK-OAHLLOKOSA-N 0 0 454.003 4.636 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC=C(C(F)(F)F)CC2)n1 ZINC001492638817 1066727575 /nfs/dbraw/zinc/72/75/75/1066727575.db2.gz KAHNTNKWYCFILX-CYBMUJFWSA-N 0 0 496.584 4.537 20 0 JJADRN COc1ccc(C2(CNC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)CCC2)cc1 ZINC001446640537 1066727574 /nfs/dbraw/zinc/72/75/74/1066727574.db2.gz DLTJFEDNJHGLKQ-GOSISDBHSA-N 0 0 453.583 4.660 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)n1 ZINC001492638755 1066727717 /nfs/dbraw/zinc/72/77/17/1066727717.db2.gz IXOMDXHSZBOHIC-PZJWPPBQSA-N 0 0 469.655 4.954 20 0 JJADRN Cc1nc2c(s1)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc3cccc(C)c3C)cc1)CCC2 ZINC001446640268 1066727797 /nfs/dbraw/zinc/72/77/97/1066727797.db2.gz GZRJKSSCDIFTNF-OAQYLSRUSA-N 0 0 455.605 4.677 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1C ZINC001446642994 1066728237 /nfs/dbraw/zinc/72/82/37/1066728237.db2.gz QANRFSQOAZYHDI-GOSISDBHSA-N 0 0 456.440 4.674 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N1CCCCC[C@@H]1c1ncon1 ZINC001446646773 1066728708 /nfs/dbraw/zinc/72/87/08/1066728708.db2.gz GOEHACGLBQJLSA-QGZVFWFLSA-N 0 0 453.324 4.531 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)n1 ZINC001492639484 1066728780 /nfs/dbraw/zinc/72/87/80/1066728780.db2.gz QNVZVASCZNJLIY-HIFRSBDPSA-N 0 0 482.437 4.958 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@@H]2C)n1 ZINC001492639488 1066728804 /nfs/dbraw/zinc/72/88/04/1066728804.db2.gz QNVZVASCZNJLIY-ZFWWWQNUSA-N 0 0 482.437 4.958 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)c2)o1 ZINC001456955038 1066729286 /nfs/dbraw/zinc/72/92/86/1066729286.db2.gz CPALJVUJLAJGQV-UHFFFAOYSA-N 0 0 450.520 4.621 20 0 JJADRN CCCOc1ccc(C(=O)Nc2ncc(I)cc2C)c(OCCC)c1 ZINC001456954988 1066729298 /nfs/dbraw/zinc/72/92/98/1066729298.db2.gz CMFOSGQHVPICPG-UHFFFAOYSA-N 0 0 454.308 4.825 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492639921 1066729730 /nfs/dbraw/zinc/72/97/30/1066729730.db2.gz RVUMQPIGRSUCKF-CQSZACIVSA-N 0 0 499.994 4.637 20 0 JJADRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(Br)cc(Br)c1 ZINC001456958016 1066729850 /nfs/dbraw/zinc/72/98/50/1066729850.db2.gz HPHZTFUACOVCTK-UHFFFAOYSA-N 0 0 458.097 4.659 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)n1 ZINC001492640048 1066730141 /nfs/dbraw/zinc/73/01/41/1066730141.db2.gz VWUDJZISEZEFPJ-UZLBHIALSA-N 0 0 476.046 4.940 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(C)Cc3ccccc3F)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492640063 1066730259 /nfs/dbraw/zinc/73/02/59/1066730259.db2.gz WMHVSGZJGICMCP-BXKMTCNYSA-N 0 0 473.618 4.663 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)C1 ZINC001545988060 1066730754 /nfs/dbraw/zinc/73/07/54/1066730754.db2.gz BEUVUAWFRMAZLZ-QAQDUYKDSA-N 0 0 454.958 4.598 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N3CC[C@](O)(Cc4cccc(Cl)c4)C3)nnc2C(C)(C)C)n1 ZINC001492640286 1066731167 /nfs/dbraw/zinc/73/11/67/1066731167.db2.gz YPPNJLMWIVZYNY-GYCJOSAFSA-N 0 0 474.074 4.982 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)c3ccc(Cl)c(I)c3)c2)o1 ZINC001456965546 1066731684 /nfs/dbraw/zinc/73/16/84/1066731684.db2.gz YFGWNIJSKITKPR-UHFFFAOYSA-N 0 0 453.667 4.809 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456965577 1066731818 /nfs/dbraw/zinc/73/18/18/1066731818.db2.gz AUWFSOJKKLSMIU-JOCHJYFZSA-N 0 0 454.979 4.655 20 0 JJADRN Cc1ccc(C2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC001446701653 1066731795 /nfs/dbraw/zinc/73/17/95/1066731795.db2.gz RWKRZWAMUXWTDJ-QHCPKHFHSA-N 0 0 451.636 4.609 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC001492640538 1066731851 /nfs/dbraw/zinc/73/18/51/1066731851.db2.gz YDEUNHHSYWTRFW-SZBYFXKWSA-N 0 0 482.679 4.787 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CC2CCC(OC)CC2)CCO1 ZINC001546085849 1066731877 /nfs/dbraw/zinc/73/18/77/1066731877.db2.gz UACQSEMKJQVQDZ-BUNACBEFSA-N 0 0 483.476 4.980 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC001446701550 1066731915 /nfs/dbraw/zinc/73/19/15/1066731915.db2.gz QLDHXCCZTSHYCZ-XMMPIXPASA-N 0 0 458.628 4.831 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccccc4C)n3CCSC(F)(F)F)CCO2)n1 ZINC001492640694 1066732161 /nfs/dbraw/zinc/73/21/61/1066732161.db2.gz AUXJFIQZAMZDQX-MRXNPFEDSA-N 0 0 469.558 4.849 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1c(F)cccc1Br ZINC001456969452 1066732357 /nfs/dbraw/zinc/73/23/57/1066732357.db2.gz FKXFBNARNVUEJT-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)Nc3nc(Cc4ccccc4)cs3)cc21 ZINC001446703113 1066732454 /nfs/dbraw/zinc/73/24/54/1066732454.db2.gz TXKVUUFEBATLEB-KRWDZBQOSA-N 0 0 453.568 4.542 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccccc3C)CCO2)n1 ZINC001492640698 1066732857 /nfs/dbraw/zinc/73/28/57/1066732857.db2.gz AVLWHBYISPOSSH-UYAOXDASSA-N 0 0 455.628 4.694 20 0 JJADRN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(I)cc1Cl ZINC001456970197 1066732995 /nfs/dbraw/zinc/73/29/95/1066732995.db2.gz OELHRCWSODAOLD-UHFFFAOYSA-N 0 0 451.695 4.607 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C(=O)N1c1ccccc1 ZINC001456971792 1066733022 /nfs/dbraw/zinc/73/30/22/1066733022.db2.gz GTRMYMYRKNKOTF-UZFJHSOTSA-N 0 0 452.913 4.909 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOC(C)(C)C)CCO2)n1 ZINC001492640980 1066733375 /nfs/dbraw/zinc/73/33/75/1066733375.db2.gz ICXIKSDPRQNMJF-GOSISDBHSA-N 0 0 462.019 4.756 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccccc3Cl)CCO2)n1 ZINC001492640903 1066733449 /nfs/dbraw/zinc/73/34/49/1066733449.db2.gz GWQBCMVRXLONGG-CYFREDJKSA-N 0 0 490.073 4.771 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC001456973078 1066733547 /nfs/dbraw/zinc/73/35/47/1066733547.db2.gz CWCCRSZNYYTTMX-PGRDOPGGSA-N 0 0 458.624 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(CCCn4ccnc4)CC3)cc2C1 ZINC001446712538 1066733532 /nfs/dbraw/zinc/73/35/32/1066733532.db2.gz GWPHJOGUMKBPIE-UHFFFAOYSA-N 0 0 452.599 4.509 20 0 JJADRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Sc1ccc(Br)cn1 ZINC001446715311 1066733596 /nfs/dbraw/zinc/73/35/96/1066733596.db2.gz NMPWKCKVRBMGFB-UHFFFAOYSA-N 0 0 455.337 4.507 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(F)c3)CCO2)n1 ZINC001492641521 1066734394 /nfs/dbraw/zinc/73/43/94/1066734394.db2.gz MAORUIDMACVIHN-PXNSSMCTSA-N 0 0 473.618 4.816 20 0 JJADRN COC[C@H](NC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F)c1ccc(F)cc1 ZINC001456979165 1066734395 /nfs/dbraw/zinc/73/43/95/1066734395.db2.gz NVALAJRCSNISCS-SFHVURJKSA-N 0 0 452.452 4.525 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)c2ccc(N3CCCc4ccccc43)cc2)cc1 ZINC001456982591 1066735309 /nfs/dbraw/zinc/73/53/09/1066735309.db2.gz UAVUVYHZEGIJRV-UHFFFAOYSA-N 0 0 458.558 4.685 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)CN(C)c4ccccc43)cc2)c(C)c1Br ZINC001456983264 1066735561 /nfs/dbraw/zinc/73/55/61/1066735561.db2.gz MKGXMPWWTCXEBD-HNNXBMFYSA-N 0 0 453.384 4.984 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCC(C)(C)O)CCO2)n1 ZINC001492642285 1066735778 /nfs/dbraw/zinc/73/57/78/1066735778.db2.gz UMFMNGITJKTOIA-PZJWPPBQSA-N 0 0 485.654 4.539 20 0 JJADRN CCOC(=O)c1cc(NC(=O)[C@H](CC)N2CCO[C@H](CC)C2)ccc1Sc1ccccc1 ZINC001446754538 1066735882 /nfs/dbraw/zinc/73/58/82/1066735882.db2.gz GRKUIUWXUAEYEF-KNQAVFIVSA-N 0 0 456.608 4.842 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(OCC(C)C)c3)CCO2)n1 ZINC001492642338 1066735953 /nfs/dbraw/zinc/73/59/53/1066735953.db2.gz VCUYFUNJRXMLCP-JOCHJYFZSA-N 0 0 469.655 4.903 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001446758405 1066736319 /nfs/dbraw/zinc/73/63/19/1066736319.db2.gz MDTOTCNXPLABIN-HLAWJBBLSA-N 0 0 454.533 4.719 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCCC(F)(F)F)C2)n1 ZINC001492642377 1066736438 /nfs/dbraw/zinc/73/64/38/1066736438.db2.gz OLWWHZRKQVHOEV-UWJYYQICSA-N 0 0 487.592 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001456988274 1066736530 /nfs/dbraw/zinc/73/65/30/1066736530.db2.gz HNASMYSVOJKTAU-OAQYLSRUSA-N 0 0 458.518 4.964 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1I)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001456987124 1066736537 /nfs/dbraw/zinc/73/65/37/1066736537.db2.gz SMWAFSXCWQZCFU-OGHNNQOOSA-N 0 0 476.141 4.551 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001446758415 1066736784 /nfs/dbraw/zinc/73/67/84/1066736784.db2.gz MDTOTCNXPLABIN-NRSPTQNISA-N 0 0 454.533 4.719 20 0 JJADRN COCC[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccco1 ZINC001446764130 1066736947 /nfs/dbraw/zinc/73/69/47/1066736947.db2.gz LFCLKBRDOQBMTD-FQEVSTJZSA-N 0 0 453.926 4.756 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492642900 1066736910 /nfs/dbraw/zinc/73/69/10/1066736910.db2.gz VGFBBTLHAKNNCI-HXUWFJFHSA-N 0 0 492.615 4.706 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC001456989633 1066736866 /nfs/dbraw/zinc/73/68/66/1066736866.db2.gz ZCJNMIIJOBWYGS-GASCZTMLSA-N 0 0 450.457 4.848 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)NC2(C(F)(F)F)CCC2)c1 ZINC001456988974 1066736879 /nfs/dbraw/zinc/73/68/79/1066736879.db2.gz WMXBCVPHXADFGS-UHFFFAOYSA-N 0 0 455.274 4.845 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC001492643672 1066737423 /nfs/dbraw/zinc/73/74/23/1066737423.db2.gz AQPKIEOEVLPWEE-UHFFFAOYSA-N 0 0 484.645 4.567 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001456993005 1066737461 /nfs/dbraw/zinc/73/74/61/1066737461.db2.gz WKSYODXIQBMSCO-WZONZLPQSA-N 0 0 451.636 4.618 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1C)OC ZINC001545989245 1066737495 /nfs/dbraw/zinc/73/74/95/1066737495.db2.gz CNEQMHDROOPTNB-QFIPXVFZSA-N 0 0 471.646 4.762 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001456992630 1066737651 /nfs/dbraw/zinc/73/76/51/1066737651.db2.gz SIOVAUCOZJJLBT-GFCCVEGCSA-N 0 0 450.848 4.735 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)n1 ZINC001492643028 1066737818 /nfs/dbraw/zinc/73/78/18/1066737818.db2.gz XQUFZWSHNLZLFS-WCQYABFASA-N 0 0 472.562 4.810 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)n1 ZINC001492643027 1066737866 /nfs/dbraw/zinc/73/78/66/1066737866.db2.gz XQUFZWSHNLZLFS-DGCLKSJQSA-N 0 0 472.562 4.810 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)C2)cc1 ZINC001446778715 1066738039 /nfs/dbraw/zinc/73/80/39/1066738039.db2.gz GVNZFRJDTWOVME-RPBOFIJWSA-N 0 0 451.611 4.763 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1 ZINC001456994280 1066738008 /nfs/dbraw/zinc/73/80/08/1066738008.db2.gz WSBWJCBQCAEKFZ-VWLOTQADSA-N 0 0 458.558 4.953 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1 ZINC001456995870 1066738014 /nfs/dbraw/zinc/73/80/14/1066738014.db2.gz TYQKWLYVHWLWCW-UHFFFAOYSA-N 0 0 450.329 4.603 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(CC4CC4)n3C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC001492643070 1066738280 /nfs/dbraw/zinc/73/82/80/1066738280.db2.gz YKKGNYBXXTVCNZ-WOJBJXKFSA-N 0 0 488.702 4.929 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCc1ccc(F)c(F)c1F ZINC001446784811 1066738463 /nfs/dbraw/zinc/73/84/63/1066738463.db2.gz AKHGFZZHKIGVAO-UHFFFAOYSA-N 0 0 452.274 4.641 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)COC)CCO1 ZINC001546086070 1066738616 /nfs/dbraw/zinc/73/86/16/1066738616.db2.gz YLTZPMAYFCYVLV-VBKZILBWSA-N 0 0 471.827 4.649 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc(OCc3ccccc3)ccc2O)C1 ZINC001456996937 1066738646 /nfs/dbraw/zinc/73/86/46/1066738646.db2.gz AULPDKHQKPGFDB-SANMLTNESA-N 0 0 452.551 4.587 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC(C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492643201 1066738694 /nfs/dbraw/zinc/73/86/94/1066738694.db2.gz BMSYMGKQEYQIFF-VWLOTQADSA-N 0 0 475.703 4.979 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccccc3C)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001492643268 1066738759 /nfs/dbraw/zinc/73/87/59/1066738759.db2.gz DFILOSFWLBCOIW-OAQYLSRUSA-N 0 0 453.656 4.828 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)n1 ZINC001492643292 1066738769 /nfs/dbraw/zinc/73/87/69/1066738769.db2.gz DPNWPUAWINATLO-QGZVFWFLSA-N 0 0 472.625 4.727 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cnn(Cc3ccccc3)c2Br)c1 ZINC001446787257 1066739010 /nfs/dbraw/zinc/73/90/10/1066739010.db2.gz KMDJLSXHLCNWMK-IERDGZPVSA-N 0 0 454.368 4.926 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccccc3F)nnc2N(C)CC2CCOCC2)n1 ZINC001492643301 1066739367 /nfs/dbraw/zinc/73/93/67/1066739367.db2.gz FAVXIOOLJVWBMC-UHFFFAOYSA-N 0 0 457.619 4.659 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCN(c3cccc(F)c3F)CC2)n1 ZINC001492643402 1066739380 /nfs/dbraw/zinc/73/93/80/1066739380.db2.gz ICZPGVBSNGFVSW-UHFFFAOYSA-N 0 0 474.625 4.869 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](C)Oc2cccc(F)c2)c1 ZINC001457005640 1066739566 /nfs/dbraw/zinc/73/95/66/1066739566.db2.gz FBEWNLJHXBZLJP-LJQANCHMSA-N 0 0 459.521 4.943 20 0 JJADRN O=C(NC[C@H]1CCC=CCCC1)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001457004578 1066739622 /nfs/dbraw/zinc/73/96/22/1066739622.db2.gz OEFVEDMBODNPCR-OXJNMPFZSA-N 0 0 451.380 4.836 20 0 JJADRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 ZINC001446789380 1066739651 /nfs/dbraw/zinc/73/96/51/1066739651.db2.gz NTLPBBLCMKCTST-SBUREZEXSA-N 0 0 450.608 4.903 20 0 JJADRN Cc1csc(CCCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC001492643612 1066739699 /nfs/dbraw/zinc/73/96/99/1066739699.db2.gz ODACRRJOLFDGDY-ROUUACIJSA-N 0 0 487.592 4.508 20 0 JJADRN O=C([C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446789830 1066739976 /nfs/dbraw/zinc/73/99/76/1066739976.db2.gz FPOCYXRONCYDNI-ICSRJNTNSA-N 0 0 458.961 4.503 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2nc(Br)ccc2Br)c1 ZINC001446789695 1066740022 /nfs/dbraw/zinc/74/00/22/1066740022.db2.gz QCTAKYZIOXMBSX-XHDPSFHLSA-N 0 0 454.162 4.839 20 0 JJADRN Cc1oc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1CN1C(=O)c2ccccc2C1=O ZINC001457007377 1066740031 /nfs/dbraw/zinc/74/00/31/1066740031.db2.gz FIERJLFRIKVNKR-ZDUSSCGKSA-N 0 0 456.420 4.894 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC001457007638 1066740040 /nfs/dbraw/zinc/74/00/40/1066740040.db2.gz GZFQNYULOJWRFE-INIZCTEOSA-N 0 0 454.514 4.679 20 0 JJADRN CCc1nc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)nn1-c1c(Cl)cccc1Cl ZINC001457006194 1066740097 /nfs/dbraw/zinc/74/00/97/1066740097.db2.gz VDYQQCMHGMYIIR-GFCCVEGCSA-N 0 0 453.757 4.987 20 0 JJADRN Cc1csc(CCCCn2c(C3CC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492643869 1066740164 /nfs/dbraw/zinc/74/01/64/1066740164.db2.gz TVTBMMGZGVYPTK-IBGZPJMESA-N 0 0 474.675 4.779 20 0 JJADRN Cc1csc(CCCCn2c(C3CC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492643870 1066740186 /nfs/dbraw/zinc/74/01/86/1066740186.db2.gz TVTBMMGZGVYPTK-LJQANCHMSA-N 0 0 474.675 4.779 20 0 JJADRN CC[C@]1(C)COCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001446792604 1066740552 /nfs/dbraw/zinc/74/05/52/1066740552.db2.gz JBDQMKNNEPLWMH-RUZDIDTESA-N 0 0 458.624 4.671 20 0 JJADRN Cc1csc(CCCCn2c(Cc3c(F)cccc3F)nnc2N(C)CC2CCOCC2)n1 ZINC001492643963 1066740606 /nfs/dbraw/zinc/74/06/06/1066740606.db2.gz VKSMMWBEYCWROT-UHFFFAOYSA-N 0 0 475.609 4.798 20 0 JJADRN Cc1csc(CCCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCOCC2)n1 ZINC001492644016 1066740664 /nfs/dbraw/zinc/74/06/64/1066740664.db2.gz FQSKCVATEMLGJJ-FQEVSTJZSA-N 0 0 455.628 4.659 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2Cl)c(OC)c1 ZINC001457009437 1066741099 /nfs/dbraw/zinc/74/10/99/1066741099.db2.gz BCWMHMFSXZKZDN-IZHWHUGBSA-N 0 0 455.986 4.792 20 0 JJADRN Cc1csc(CCCCn2c(CCc3ccccc3)nnc2N2CCOC(C)(C)[C@@H]2C)n1 ZINC001492644058 1066741055 /nfs/dbraw/zinc/74/10/55/1066741055.db2.gz WGRKOYMMKLUMLG-FQEVSTJZSA-N 0 0 453.656 4.855 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001545989585 1066741234 /nfs/dbraw/zinc/74/12/34/1066741234.db2.gz IDWZMGZWPHBQGT-IAGOWNOFSA-N 0 0 482.000 4.514 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)n1 ZINC001492644063 1066741203 /nfs/dbraw/zinc/74/12/03/1066741203.db2.gz WMWCBGBVNNBSEQ-SFHVURJKSA-N 0 0 483.535 4.563 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1 ZINC001446802612 1066741716 /nfs/dbraw/zinc/74/17/16/1066741716.db2.gz VOQMUPFQXAEORZ-UHFFFAOYSA-N 0 0 450.329 4.857 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1OC ZINC001457011983 1066741835 /nfs/dbraw/zinc/74/18/35/1066741835.db2.gz QEYOIZXXZKUIHS-LJQANCHMSA-N 0 0 459.546 4.600 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001492644434 1066742137 /nfs/dbraw/zinc/74/21/37/1066742137.db2.gz OGCRWOUHPYYDEM-GOSISDBHSA-N 0 0 485.658 4.507 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC001446803684 1066742300 /nfs/dbraw/zinc/74/23/00/1066742300.db2.gz ZVLUZVXLPACRCQ-KRWDZBQOSA-N 0 0 454.571 4.568 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cnc(C(F)(F)F)nc2)c2ccccc2Cl)c(OC)c1 ZINC001457013084 1066742398 /nfs/dbraw/zinc/74/23/98/1066742398.db2.gz IBBGZRWSQDFUNB-GOSISDBHSA-N 0 0 451.832 4.685 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CCOc4ccccc4)n3CCCC(C)C)CCO2)n1 ZINC001492644550 1066742813 /nfs/dbraw/zinc/74/28/13/1066742813.db2.gz RELHULNWQGOZNG-NRFANRHFSA-N 0 0 455.628 4.679 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001457015321 1066743266 /nfs/dbraw/zinc/74/32/66/1066743266.db2.gz WIFCHGXRGOKVRW-QFIPXVFZSA-N 0 0 453.674 4.744 20 0 JJADRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001457015933 1066743297 /nfs/dbraw/zinc/74/32/97/1066743297.db2.gz FDIAFZLYRXSHJH-UHFFFAOYSA-N 0 0 451.395 4.605 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(Cl)c1Cl ZINC001457015408 1066743328 /nfs/dbraw/zinc/74/33/28/1066743328.db2.gz KJSCHIVYPWJAKL-MISYRCLQSA-N 0 0 465.377 4.676 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC001492644685 1066743421 /nfs/dbraw/zinc/74/34/21/1066743421.db2.gz WRYCGZKGWAWTGM-GOSISDBHSA-N 0 0 470.618 4.638 20 0 JJADRN Cc1c(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nnn1-c1ccc(F)c(F)c1 ZINC001457014841 1066743475 /nfs/dbraw/zinc/74/34/75/1066743475.db2.gz CMEHYCQRTHWFDP-ZDUSSCGKSA-N 0 0 457.481 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)C1 ZINC001446812299 1066743786 /nfs/dbraw/zinc/74/37/86/1066743786.db2.gz XAUVLQFHTQFUPE-AVRWGWEMSA-N 0 0 472.582 4.619 20 0 JJADRN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001446814305 1066744139 /nfs/dbraw/zinc/74/41/39/1066744139.db2.gz OGIGZBKAMJNMMG-UHFFFAOYSA-N 0 0 453.417 4.530 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)N3CCCC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001492644974 1066744293 /nfs/dbraw/zinc/74/42/93/1066744293.db2.gz HCMFOFIGVNSTSJ-CVEARBPZSA-N 0 0 455.550 4.814 20 0 JJADRN Cc1csc(CCCCn2c(N3CCC[C@H](C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001492644922 1066744438 /nfs/dbraw/zinc/74/44/38/1066744438.db2.gz FRQQFRXFFHPYJA-SQJMNOBHSA-N 0 0 475.703 4.979 20 0 JJADRN O=C(NCCC1CCC(F)(F)CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001457017692 1066744434 /nfs/dbraw/zinc/74/44/34/1066744434.db2.gz QGOMYGAGPKJVSX-UHFFFAOYSA-N 0 0 458.477 4.711 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)cc2Cl)n[nH]1 ZINC001446824157 1066744910 /nfs/dbraw/zinc/74/49/10/1066744910.db2.gz FDVQRDQVNBALDV-UHFFFAOYSA-N 0 0 457.719 4.838 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(Br)cn3ccnc23)cc1 ZINC001457021143 1066745459 /nfs/dbraw/zinc/74/54/59/1066745459.db2.gz QTGGVBWXJGUWQI-CYBMUJFWSA-N 0 0 459.344 4.935 20 0 JJADRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001446827640 1066745664 /nfs/dbraw/zinc/74/56/64/1066745664.db2.gz RWFKTQSESOMZOL-MZNJEOGPSA-N 0 0 456.558 4.554 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)CSc3nccn3-c3cc(C)cc(C)c3)cc2Cl)n[nH]1 ZINC001446826604 1066745695 /nfs/dbraw/zinc/74/56/95/1066745695.db2.gz PPIMNKXMLZZIPQ-UHFFFAOYSA-N 0 0 452.971 4.967 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2Cl)n[nH]1 ZINC001446826054 1066745727 /nfs/dbraw/zinc/74/57/27/1066745727.db2.gz MPEOIJPXLOMFMK-LJQANCHMSA-N 0 0 455.946 4.946 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOCC2(C)C)c1 ZINC001492645375 1066745949 /nfs/dbraw/zinc/74/59/49/1066745949.db2.gz TYTNAHSVWPDIFQ-IBGZPJMESA-N 0 0 487.645 4.674 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3cc(Br)sc3[nH]1)C2 ZINC001457023751 1066745938 /nfs/dbraw/zinc/74/59/38/1066745938.db2.gz HCEGIHMCRPDSMJ-UHTWSYAYSA-N 0 0 454.390 4.510 20 0 JJADRN CCC(CC)(CC(=O)OC)NC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001457023360 1066745978 /nfs/dbraw/zinc/74/59/78/1066745978.db2.gz ADZCJOUSJAWDFH-UHFFFAOYSA-N 0 0 451.386 4.847 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001492645383 1066746044 /nfs/dbraw/zinc/74/60/44/1066746044.db2.gz UDAPNUFHLCTXEM-ZYLNGJIFSA-N 0 0 470.639 4.581 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCCNc1cccc(Br)c1 ZINC001446834104 1066746208 /nfs/dbraw/zinc/74/62/08/1066746208.db2.gz GEEVWZJBXQMPRL-LBPRGKRZSA-N 0 0 458.219 4.921 20 0 JJADRN COCc1c(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cnn1-c1ccccc1 ZINC001457024119 1066746536 /nfs/dbraw/zinc/74/65/36/1066746536.db2.gz YDVWCAHYQDQNQE-KRWDZBQOSA-N 0 0 450.539 4.857 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC2(C(N)=O)CCCC2)c1 ZINC001492645689 1066746975 /nfs/dbraw/zinc/74/69/75/1066746975.db2.gz FPAVIYCEETVVDB-UHFFFAOYSA-N 0 0 488.455 4.760 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 ZINC001457024956 1066747017 /nfs/dbraw/zinc/74/70/17/1066747017.db2.gz BCYMLXRQYDRWES-MRXNPFEDSA-N 0 0 458.522 4.510 20 0 JJADRN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC001446845070 1066747391 /nfs/dbraw/zinc/74/73/91/1066747391.db2.gz IMBUAGZFDKJYGU-UHFFFAOYSA-N 0 0 452.356 4.621 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)s3)n2CC2(C(N)=O)CCCC2)c1 ZINC001492645804 1066747451 /nfs/dbraw/zinc/74/74/51/1066747451.db2.gz JNNZRMUDLVXPRS-UHFFFAOYSA-N 0 0 494.484 4.821 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001457026846 1066747484 /nfs/dbraw/zinc/74/74/84/1066747484.db2.gz KHYRSQBPTUDRMN-MRXNPFEDSA-N 0 0 452.904 4.593 20 0 JJADRN Cc1cc([C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)c2ccccc2Cl)ccc1F ZINC001457026750 1066747611 /nfs/dbraw/zinc/74/76/11/1066747611.db2.gz KMJAXHLGJJYVOL-DEOSSOPVSA-N 0 0 454.977 4.639 20 0 JJADRN Nc1cc(Br)cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1N ZINC001446846592 1066747758 /nfs/dbraw/zinc/74/77/58/1066747758.db2.gz PMLGSGQCYNWGGJ-ZDUSSCGKSA-N 0 0 456.184 4.666 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc12 ZINC001457028644 1066747992 /nfs/dbraw/zinc/74/79/92/1066747992.db2.gz JMMICUHBRSDXBA-KRWDZBQOSA-N 0 0 458.559 4.616 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001457028232 1066748033 /nfs/dbraw/zinc/74/80/33/1066748033.db2.gz IOVLSJKYNNLQKY-RXVVDRJESA-N 0 0 459.384 4.882 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1ccccc1C ZINC001457027909 1066748074 /nfs/dbraw/zinc/74/80/74/1066748074.db2.gz OTXHCQJSMJUNSP-IBGZPJMESA-N 0 0 457.324 4.837 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001492645962 1066748035 /nfs/dbraw/zinc/74/80/35/1066748035.db2.gz PYMUTNOVSKNTCJ-JOCHJYFZSA-N 0 0 492.487 4.994 20 0 JJADRN Cc1ccsc1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001446849934 1066748512 /nfs/dbraw/zinc/74/85/12/1066748512.db2.gz RZZSCPGQQPPLHW-QGZVFWFLSA-N 0 0 453.402 4.744 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](C(F)F)N2CCOCC2)c1 ZINC001492646094 1066748630 /nfs/dbraw/zinc/74/86/30/1066748630.db2.gz VIAUOZCQAWXJGE-HXUWFJFHSA-N 0 0 496.027 4.961 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001446857275 1066748791 /nfs/dbraw/zinc/74/87/91/1066748791.db2.gz QCLZJSRHSLXPRP-IEBWSBKVSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)CC2 ZINC001446858960 1066748909 /nfs/dbraw/zinc/74/89/09/1066748909.db2.gz XNKVVGYXIWKRAO-SFHVURJKSA-N 0 0 451.405 4.678 20 0 JJADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1Nc1c(F)cccc1F ZINC001446859957 1066748968 /nfs/dbraw/zinc/74/89/68/1066748968.db2.gz CYSCBENFPVIVDR-JQIJEIRASA-N 0 0 457.502 4.627 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)c1 ZINC001492646165 1066748953 /nfs/dbraw/zinc/74/89/53/1066748953.db2.gz YCJOFCSNGGZKHZ-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCSCC(C)C)c1 ZINC001492646285 1066749341 /nfs/dbraw/zinc/74/93/41/1066749341.db2.gz CCZQTRKAXLSDHL-UHFFFAOYSA-N 0 0 482.679 4.588 20 0 JJADRN C[C@H](C(=O)Nc1ccccc1Nc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC001446860182 1066749353 /nfs/dbraw/zinc/74/93/53/1066749353.db2.gz DKHPNEYMIWQLNJ-QGZVFWFLSA-N 0 0 454.496 4.997 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC001446862638 1066749501 /nfs/dbraw/zinc/74/95/01/1066749501.db2.gz IYHPRNZBRIYCTF-NRFANRHFSA-N 0 0 452.551 4.861 20 0 JJADRN O=C(NC[C@@H]1SCCc2ccccc21)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001457033929 1066749410 /nfs/dbraw/zinc/74/94/10/1066749410.db2.gz YSKDPLKXMGAQTE-SFTDATJTSA-N 0 0 451.419 4.514 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OC)c2O)c1 ZINC001446862914 1066749555 /nfs/dbraw/zinc/74/95/55/1066749555.db2.gz ZUHIGJOYFNBORJ-UHFFFAOYSA-N 0 0 454.548 4.649 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccnc3)n2Cc2nc(C(F)(F)F)cs2)c1 ZINC001492646498 1066749887 /nfs/dbraw/zinc/74/98/87/1066749887.db2.gz JPFKMDSWJCWHOA-UHFFFAOYSA-N 0 0 450.515 4.870 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2N(C)C)c1 ZINC001492647019 1066750415 /nfs/dbraw/zinc/75/04/15/1066750415.db2.gz DARZCBPRBWTMJT-UHFFFAOYSA-N 0 0 468.577 4.663 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)Nc3ccc(Br)c4ccccc34)c(=O)[nH]c21 ZINC001446873260 1066750465 /nfs/dbraw/zinc/75/04/65/1066750465.db2.gz WSWWVTYHUQPHTC-YFHOEESVSA-N 0 0 451.324 4.873 20 0 JJADRN COC(=O)c1ccc2c(c1)OCCN(C(=O)c1ccc(SCc3csc(C)n3)cc1)C2 ZINC001457040827 1066750443 /nfs/dbraw/zinc/75/04/43/1066750443.db2.gz UOXZQPZAPOCZAS-UHFFFAOYSA-N 0 0 454.573 4.565 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001492646967 1066750506 /nfs/dbraw/zinc/75/05/06/1066750506.db2.gz BEVNTZQGFLDLJR-UHFFFAOYSA-N 0 0 494.633 4.511 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Oc2ccc(Oc3nccs3)cc2)cc1 ZINC001457039046 1066750525 /nfs/dbraw/zinc/75/05/25/1066750525.db2.gz MVGZHPFAICUXKS-MRXNPFEDSA-N 0 0 458.561 4.718 20 0 JJADRN COC(=O)c1ccc2c(c1)OCCN(C(=O)[C@H](C)Sc1ccnc3cc(Cl)ccc31)C2 ZINC001457040822 1066750634 /nfs/dbraw/zinc/75/06/34/1066750634.db2.gz UMAHEJPIRQDUIH-AWEZNQCLSA-N 0 0 456.951 4.577 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001446870874 1066750573 /nfs/dbraw/zinc/75/05/73/1066750573.db2.gz QPWOWKVFCGIXBZ-UHFFFAOYSA-N 0 0 454.514 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001446874320 1066750902 /nfs/dbraw/zinc/75/09/02/1066750902.db2.gz AXORYPWVEWTUGK-VQTJNVASSA-N 0 0 450.501 4.802 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)C1(CC)CC ZINC001457047080 1066751125 /nfs/dbraw/zinc/75/11/25/1066751125.db2.gz BAABPNPIZSOLDO-CHWSQXEVSA-N 0 0 453.723 4.797 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1(CC)CC ZINC001457047929 1066751174 /nfs/dbraw/zinc/75/11/74/1066751174.db2.gz CSPMWPWLZQBWAT-UXHICEINSA-N 0 0 454.533 4.658 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC001446876739 1066751418 /nfs/dbraw/zinc/75/14/18/1066751418.db2.gz WSVBYTMQSWRDMY-VFNWGFHPSA-N 0 0 455.356 4.797 20 0 JJADRN CCc1cnccc1[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446875158 1066751421 /nfs/dbraw/zinc/75/14/21/1066751421.db2.gz UKHMVZVGMHAOHQ-RBUKOAKNSA-N 0 0 457.574 4.996 20 0 JJADRN Cc1cc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)nn1-c1ccc(Cl)cc1Cl ZINC001446878077 1066751726 /nfs/dbraw/zinc/75/17/26/1066751726.db2.gz KESCRDIJNOJBAC-QSJFSLAZSA-N 0 0 465.381 4.975 20 0 JJADRN Cc1ccc(OCCC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(Br)c1 ZINC001446877734 1066751766 /nfs/dbraw/zinc/75/17/66/1066751766.db2.gz GUQLUPFVGWLXJL-AWEZNQCLSA-N 0 0 455.755 4.714 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(Br)cc2)c1 ZINC001492647605 1066751867 /nfs/dbraw/zinc/75/18/67/1066751867.db2.gz QTQFFSBHMGRIGJ-QGZVFWFLSA-N 0 0 461.429 4.794 20 0 JJADRN CN(C(=O)Cc1cc(Br)ccc1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457057401 1066752146 /nfs/dbraw/zinc/75/21/46/1066752146.db2.gz CPDXQSJNJYPHKB-UHFFFAOYSA-N 0 0 459.812 4.939 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C1(CC)CC ZINC001457059654 1066752699 /nfs/dbraw/zinc/75/26/99/1066752699.db2.gz ZAUHPPOMEJNVGO-CHWSQXEVSA-N 0 0 453.723 4.797 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)Oc1ccccc1F ZINC001545990432 1066752847 /nfs/dbraw/zinc/75/28/47/1066752847.db2.gz SGNBSUCRJXLTFR-CABCVRRESA-N 0 0 499.534 4.890 20 0 JJADRN COc1ccc(CN(C(=O)c2[nH]nc(C)c2Br)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001446882097 1066752862 /nfs/dbraw/zinc/75/28/62/1066752862.db2.gz RMEIHJUOILDNMY-CZUORRHYSA-N 0 0 450.377 4.719 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCCC(=O)OC(C)(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457062046 1066753148 /nfs/dbraw/zinc/75/31/48/1066753148.db2.gz CWUQBSCJVVCWSN-XMMPIXPASA-N 0 0 459.608 4.506 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001446884274 1066753228 /nfs/dbraw/zinc/75/32/28/1066753228.db2.gz VKQVVNLEYFUHCS-CLCXKQKWSA-N 0 0 456.414 4.724 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001446884287 1066753294 /nfs/dbraw/zinc/75/32/94/1066753294.db2.gz VKQVVNLEYFUHCS-SPYBWZPUSA-N 0 0 456.414 4.724 20 0 JJADRN Cc1cccc(CC(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1Br ZINC001446883098 1066753319 /nfs/dbraw/zinc/75/33/19/1066753319.db2.gz WCDPCOGJVJIQBW-UHFFFAOYSA-N 0 0 451.405 4.550 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001446886111 1066753831 /nfs/dbraw/zinc/75/38/31/1066753831.db2.gz XLLZTOWTZFEMQT-JTQLQIEISA-N 0 0 454.702 4.871 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001457067056 1066754031 /nfs/dbraw/zinc/75/40/31/1066754031.db2.gz GOIMPYIYSLBTOX-LJQANCHMSA-N 0 0 458.599 4.937 20 0 JJADRN CC(C)(C)c1ccc(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457067877 1066754121 /nfs/dbraw/zinc/75/41/21/1066754121.db2.gz UZZHPDUIUSOLQJ-VWLOTQADSA-N 0 0 453.579 4.975 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](Cc2ccccc2)C1)OC ZINC001545990454 1066754326 /nfs/dbraw/zinc/75/43/26/1066754326.db2.gz SMVHOIZHYTXPOB-UPVQGACJSA-N 0 0 497.684 4.887 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001492648433 1066754659 /nfs/dbraw/zinc/75/46/59/1066754659.db2.gz VULXOKQOFFDWPX-DEOSSOPVSA-N 0 0 458.603 4.944 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)c1 ZINC001492648462 1066754702 /nfs/dbraw/zinc/75/47/02/1066754702.db2.gz XGJWXHCQJQXSHL-CEXWTWQISA-N 0 0 475.659 4.624 20 0 JJADRN CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@H]2CC2(F)F)CC1)OC ZINC001545990552 1066754708 /nfs/dbraw/zinc/75/47/08/1066754708.db2.gz UQCBKHZLBKHVQA-VQTJNVASSA-N 0 0 497.631 4.689 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 ZINC001457072218 1066755185 /nfs/dbraw/zinc/75/51/85/1066755185.db2.gz JQBGUIPLEKCAIQ-HSZRJFAPSA-N 0 0 451.906 4.807 20 0 JJADRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ncccc1Br ZINC001457072316 1066755315 /nfs/dbraw/zinc/75/53/15/1066755315.db2.gz KUAZGCWWMQANAL-IBGZPJMESA-N 0 0 459.727 4.788 20 0 JJADRN C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001446906467 1066755243 /nfs/dbraw/zinc/75/52/43/1066755243.db2.gz VYMIYOIFAAZHEU-VXGBXAGGSA-N 0 0 451.778 4.882 20 0 JJADRN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)c1 ZINC001446907177 1066755447 /nfs/dbraw/zinc/75/54/47/1066755447.db2.gz HVYSPTYPJJIVBW-ZDUSSCGKSA-N 0 0 452.001 4.574 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1F)C1CC1 ZINC001457073923 1066755631 /nfs/dbraw/zinc/75/56/31/1066755631.db2.gz JBPRLEMTFFSYHN-QKKBWIMNSA-N 0 0 453.576 4.897 20 0 JJADRN CCc1nsc(N2CCN(C(=O)/C(=C\c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)n1 ZINC001457073102 1066755650 /nfs/dbraw/zinc/75/56/50/1066755650.db2.gz QYHYMHNKVRRWQI-HKWRFOASSA-N 0 0 456.974 4.782 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446908368 1066755875 /nfs/dbraw/zinc/75/58/75/1066755875.db2.gz JIAACFIIWJJCJU-HYBUGGRVSA-N 0 0 457.977 4.653 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)n1 ZINC001492648967 1066755978 /nfs/dbraw/zinc/75/59/78/1066755978.db2.gz NQMKQOCSVPPGSN-QGZVFWFLSA-N 0 0 481.601 4.920 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001457075892 1066756207 /nfs/dbraw/zinc/75/62/07/1066756207.db2.gz NUWFMXHRHDJVEB-RUZDIDTESA-N 0 0 450.922 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2C1 ZINC001446912496 1066756437 /nfs/dbraw/zinc/75/64/37/1066756437.db2.gz SJCMTQLSFOUXTH-AWEZNQCLSA-N 0 0 458.921 4.990 20 0 JJADRN Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492649265 1066756497 /nfs/dbraw/zinc/75/64/97/1066756497.db2.gz WLGAOWSPIAQYQD-ZBFHGGJFSA-N 0 0 450.033 4.826 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001457079095 1066756648 /nfs/dbraw/zinc/75/66/48/1066756648.db2.gz YXZANYWJKCEKFI-OAQYLSRUSA-N 0 0 454.958 4.864 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(Cl)c3ccccc3n2)c2ccccc2)c1 ZINC001457077737 1066756717 /nfs/dbraw/zinc/75/67/17/1066756717.db2.gz QGTHFNVTZBMCCB-HSZRJFAPSA-N 0 0 450.947 4.811 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(Cl)c3ccccc3n2)c2ccccc2)c1 ZINC001457077745 1066756787 /nfs/dbraw/zinc/75/67/87/1066756787.db2.gz QGTHFNVTZBMCCB-QHCPKHFHSA-N 0 0 450.947 4.811 20 0 JJADRN COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1Cl ZINC001457078100 1066756824 /nfs/dbraw/zinc/75/68/24/1066756824.db2.gz SMKAAYKAAHNWHD-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545990675 1066756936 /nfs/dbraw/zinc/75/69/36/1066756936.db2.gz WNMIJPUNSUHTHE-GGAORHGYSA-N 0 0 483.657 4.717 20 0 JJADRN O=C(NCc1cc(OCC(F)F)ccn1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446926073 1066757143 /nfs/dbraw/zinc/75/71/43/1066757143.db2.gz NAPRZUMZXFCXBH-NRFANRHFSA-N 0 0 450.844 4.955 20 0 JJADRN Cc1csc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001492649798 1066757449 /nfs/dbraw/zinc/75/74/49/1066757449.db2.gz PAENOKZOFCPGPT-IBGZPJMESA-N 0 0 482.654 4.808 20 0 JJADRN Cc1cccc(OCCCCC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457082004 1066757793 /nfs/dbraw/zinc/75/77/93/1066757793.db2.gz XVIWJWOGOOUWAN-SANMLTNESA-N 0 0 451.588 4.853 20 0 JJADRN COc1ccc([C@@H](CO)N(C)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC001446936334 1066758193 /nfs/dbraw/zinc/75/81/93/1066758193.db2.gz IFEZWAVYQIUVHT-GOSISDBHSA-N 0 0 450.482 4.952 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F ZINC001457085601 1066758251 /nfs/dbraw/zinc/75/82/51/1066758251.db2.gz GRTHUIUXZSKMPZ-REWPJTCUSA-N 0 0 458.436 4.808 20 0 JJADRN Cc1csc(Cn2c(N(Cc3cccs3)C(C)C)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492651326 1066758343 /nfs/dbraw/zinc/75/83/43/1066758343.db2.gz MLALBHPZROMJDN-QFIPXVFZSA-N 0 0 461.657 4.608 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccccc2NCc2ccccc2C)C1 ZINC001446961715 1066758568 /nfs/dbraw/zinc/75/85/68/1066758568.db2.gz LADKAQRMOMVLFS-VWLOTQADSA-N 0 0 456.546 4.744 20 0 JJADRN CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1C ZINC001446958396 1066758600 /nfs/dbraw/zinc/75/86/00/1066758600.db2.gz LECVSLNVWJEDFO-UHFFFAOYSA-N 0 0 454.573 4.973 20 0 JJADRN COc1cccc(/C=C(/CC(=O)NCCNC(=O)C(C)(C)C)c2nc3ccccc3s2)c1 ZINC001457089067 1066759064 /nfs/dbraw/zinc/75/90/64/1066759064.db2.gz FYZFMWZURSZAGQ-JXAWBTAJSA-N 0 0 451.592 4.514 20 0 JJADRN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC001457089910 1066759106 /nfs/dbraw/zinc/75/91/06/1066759106.db2.gz GLUMOJJHMVHPIQ-GJZGRUSLSA-N 0 0 457.294 4.747 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)cc12 ZINC001446963411 1066759330 /nfs/dbraw/zinc/75/93/30/1066759330.db2.gz FDEUFMZJPWXRBY-KBPBESRZSA-N 0 0 451.423 4.926 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCC(C)(F)F)CC2)n1 ZINC001492652003 1066759764 /nfs/dbraw/zinc/75/97/64/1066759764.db2.gz LDDQWQDOONTVNF-UHFFFAOYSA-N 0 0 497.413 4.844 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001446969459 1066759820 /nfs/dbraw/zinc/75/98/20/1066759820.db2.gz FQTXWWZUCQIRJI-VQTJNVASSA-N 0 0 454.615 4.846 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001446966142 1066759907 /nfs/dbraw/zinc/75/99/07/1066759907.db2.gz JNJWWQHENKYYCO-RTBURBONSA-N 0 0 458.546 4.626 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001492652254 1066759787 /nfs/dbraw/zinc/75/97/87/1066759787.db2.gz PXWPISHIQPFOFL-UHFFFAOYSA-N 0 0 480.560 4.614 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001492652357 1066759869 /nfs/dbraw/zinc/75/98/69/1066759869.db2.gz DQFSOAFHPRKCLH-MRXNPFEDSA-N 0 0 482.000 4.877 20 0 JJADRN Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(F)(F)F)c3)CC2)n1 ZINC001492652620 1066760355 /nfs/dbraw/zinc/76/03/55/1066760355.db2.gz XALXUULZZCCKOW-UHFFFAOYSA-N 0 0 494.587 4.657 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC001446973321 1066760354 /nfs/dbraw/zinc/76/03/54/1066760354.db2.gz JXZBSFFQOJKQJV-AOMKIAJQSA-N 0 0 452.551 4.988 20 0 JJADRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001446969792 1066760392 /nfs/dbraw/zinc/76/03/92/1066760392.db2.gz PIQAGAWBZZDQRX-RZQQEMMASA-N 0 0 454.995 4.684 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001492652887 1066761299 /nfs/dbraw/zinc/76/12/99/1066761299.db2.gz QAJGFGWFQUORES-RTBURBONSA-N 0 0 485.629 4.669 20 0 JJADRN C[S@@](=O)(=NC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(Br)c1 ZINC001457097779 1066761320 /nfs/dbraw/zinc/76/13/20/1066761320.db2.gz GBMWHYHSEIMQTQ-SANMLTNESA-N 0 0 453.339 4.653 20 0 JJADRN O=C(N[C@@H](CC1CCC1)c1ccccc1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC001446981501 1066761391 /nfs/dbraw/zinc/76/13/91/1066761391.db2.gz BTQLGSZPSLNLGI-QHCPKHFHSA-N 0 0 454.617 4.888 20 0 JJADRN Cc1cscc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1 ZINC001492653720 1066761929 /nfs/dbraw/zinc/76/19/29/1066761929.db2.gz LIKAYEUAHRPUPQ-IBGZPJMESA-N 0 0 482.654 4.842 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492653683 1066761976 /nfs/dbraw/zinc/76/19/76/1066761976.db2.gz DGPYBZZDPBJPHE-OKILXGFUSA-N 0 0 465.392 4.879 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001492653572 1066762010 /nfs/dbraw/zinc/76/20/10/1066762010.db2.gz JLVRSXWZBAWFQB-UHFFFAOYSA-N 0 0 472.058 4.683 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001492653856 1066762249 /nfs/dbraw/zinc/76/22/49/1066762249.db2.gz PCFLULQBRLDNNJ-IBGZPJMESA-N 0 0 483.657 4.803 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)c1c(F)cccc1F ZINC001457101533 1066762285 /nfs/dbraw/zinc/76/22/85/1066762285.db2.gz MABJBCSNVMAGQI-ZQHDKMAOSA-N 0 0 458.914 4.868 20 0 JJADRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989569 1066762265 /nfs/dbraw/zinc/76/22/65/1066762265.db2.gz VDZIVBFJCBGINY-QPPBQGQZSA-N 0 0 458.624 4.818 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC001457100598 1066762466 /nfs/dbraw/zinc/76/24/66/1066762466.db2.gz KXUYHXBBLLRSCT-MHZLTWQESA-N 0 0 450.333 4.688 20 0 JJADRN O=C(NCc1ccccc1-n1ccnc1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446988082 1066762398 /nfs/dbraw/zinc/76/23/98/1066762398.db2.gz MUDXKTFEWKSZFZ-UHFFFAOYSA-N 0 0 459.859 4.719 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cn(Cc3cccs3)nn2)c2cc(F)ccc2F)c1 ZINC001457104282 1066762863 /nfs/dbraw/zinc/76/28/63/1066762863.db2.gz HCQCBRWLXUELSR-OAQYLSRUSA-N 0 0 456.543 4.907 20 0 JJADRN C[S@](=O)(=NC(=O)c1c(Cl)ccnc1Br)c1cccc(Br)c1 ZINC001457103424 1066763027 /nfs/dbraw/zinc/76/30/27/1066763027.db2.gz PTNICOVLIAJJOB-OAQYLSRUSA-N 0 0 452.555 4.557 20 0 JJADRN CC1(C)[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC001457105312 1066763446 /nfs/dbraw/zinc/76/34/46/1066763446.db2.gz XQBCYSLGXCPDBG-PCTYZZJISA-N 0 0 454.135 4.531 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1 ZINC001492654457 1066763830 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WXYDAMDFYVDLHL-HUUCEWRRSA-N 0 0 457.434 4.788 20 0 JJADRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001447007327 1066764925 /nfs/dbraw/zinc/76/49/25/1066764925.db2.gz LEXOEKFGNMTCAX-INIZCTEOSA-N 0 0 452.383 4.984 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)ccc1S(N)(=O)=O ZINC001447006201 1066764954 /nfs/dbraw/zinc/76/49/54/1066764954.db2.gz DPUZXSCXJFKYAZ-IEBWSBKVSA-N 0 0 454.514 4.508 20 0 JJADRN Cc1cscc1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492655128 1066765182 /nfs/dbraw/zinc/76/51/82/1066765182.db2.gz CUVVWTRXEIWBRH-FQEVSTJZSA-N 0 0 497.665 4.763 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492655168 1066765310 /nfs/dbraw/zinc/76/53/10/1066765310.db2.gz MARZUOJOCZXVOF-GJZGRUSLSA-N 0 0 490.471 4.946 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC)cc1Br ZINC001447012865 1066765579 /nfs/dbraw/zinc/76/55/79/1066765579.db2.gz NAGSAMBULPXSEL-QWQRMKEZSA-N 0 0 457.409 4.964 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492655219 1066765715 /nfs/dbraw/zinc/76/57/15/1066765715.db2.gz NDGGWAHTRBHIQX-GOSISDBHSA-N 0 0 469.655 4.911 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492655220 1066765733 /nfs/dbraw/zinc/76/57/33/1066765733.db2.gz NDGGWAHTRBHIQX-SFHVURJKSA-N 0 0 469.655 4.911 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCCOc4c(F)cccc43)c2)cc1 ZINC001447016001 1066766140 /nfs/dbraw/zinc/76/61/40/1066766140.db2.gz TTZOUAKARFLQMH-QFIPXVFZSA-N 0 0 454.523 4.579 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC001447013931 1066766175 /nfs/dbraw/zinc/76/61/75/1066766175.db2.gz VMIGSUZJIHLSRI-OXJNMPFZSA-N 0 0 451.567 4.564 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccc(OCc3nc(C)no3)nc2)cc1 ZINC001457119858 1066766578 /nfs/dbraw/zinc/76/65/78/1066766578.db2.gz CBIUTPBTIYMMBO-KRWDZBQOSA-N 0 0 458.518 4.861 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)C12CCCCC2 ZINC001457123600 1066767136 /nfs/dbraw/zinc/76/71/36/1066767136.db2.gz YYKGIBMEUABWOE-XZOQPEGZSA-N 0 0 454.615 4.817 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2nnc(C)s2)CCO1 ZINC001546087414 1066767736 /nfs/dbraw/zinc/76/77/36/1066767736.db2.gz LXSMYSYRGLXTEK-RUZDIDTESA-N 0 0 484.670 4.778 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492655866 1066767795 /nfs/dbraw/zinc/76/77/95/1066767795.db2.gz ZVYVEBQOVDESDP-FUHWJXTLSA-N 0 0 476.046 4.860 20 0 JJADRN Cc1cscc1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001492656013 1066767863 /nfs/dbraw/zinc/76/78/63/1066767863.db2.gz UJHYTXICJISIEE-MAEOIBBWSA-N 0 0 481.613 4.949 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492655865 1066767935 /nfs/dbraw/zinc/76/79/35/1066767935.db2.gz ZVYVEBQOVDESDP-AEFFLSMTSA-N 0 0 476.046 4.860 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492656368 1066768434 /nfs/dbraw/zinc/76/84/34/1066768434.db2.gz FXCKFFMTBVJCHS-UHFFFAOYSA-N 0 0 474.675 4.697 20 0 JJADRN Cc1cscc1Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492656071 1066768474 /nfs/dbraw/zinc/76/84/74/1066768474.db2.gz WHCBTNAJGTVKDD-HXUWFJFHSA-N 0 0 457.427 4.636 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 ZINC001447046182 1066768571 /nfs/dbraw/zinc/76/85/71/1066768571.db2.gz FJAIOLKMNUHQEA-VXKWHMMOSA-N 0 0 457.615 4.941 20 0 JJADRN CC(C)[C@H]1CCCN1c1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1F ZINC001447044596 1066768726 /nfs/dbraw/zinc/76/87/26/1066768726.db2.gz BVVJUKIPFZPCFG-JOCHJYFZSA-N 0 0 454.521 4.707 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1)Oc1cccc(F)c1 ZINC001545991882 1066768735 /nfs/dbraw/zinc/76/87/35/1066768735.db2.gz BIEZYKGVVQVZFI-SIKLNZKXSA-N 0 0 492.661 4.582 20 0 JJADRN COc1ccccc1-c1ccc(CN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)C(C)C)cc1 ZINC001457129019 1066768756 /nfs/dbraw/zinc/76/87/56/1066768756.db2.gz RDXFVWXYZYMSPI-LJQANCHMSA-N 0 0 456.542 4.784 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)CC(=O)Nc3cccc(Cl)c3)nnc2C(C)(C)C)s1 ZINC001492656577 1066768870 /nfs/dbraw/zinc/76/88/70/1066768870.db2.gz CQEMNUWPFBIKCG-UHFFFAOYSA-N 0 0 461.035 4.620 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CC[C@H](COCc3ccccc3)C2)s1 ZINC001492656487 1066769038 /nfs/dbraw/zinc/76/90/38/1066769038.db2.gz JJELNZBTAYOIEQ-QFIPXVFZSA-N 0 0 453.656 4.836 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)Oc1ccccc1F ZINC001545991931 1066769108 /nfs/dbraw/zinc/76/91/08/1066769108.db2.gz BVZDAILZASUWLD-NHCUHLMSSA-N 0 0 495.647 4.759 20 0 JJADRN COc1ccc(O)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC001447051175 1066769122 /nfs/dbraw/zinc/76/91/22/1066769122.db2.gz RLOPNTKGRIJALH-UHFFFAOYSA-N 0 0 450.495 4.518 20 0 JJADRN Cc1nc(C)c(CCn2c(CCOc3ccccc3)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001492656718 1066769404 /nfs/dbraw/zinc/76/94/04/1066769404.db2.gz FDFMETDQZVPVTR-QFIPXVFZSA-N 0 0 471.696 4.793 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001457133098 1066769621 /nfs/dbraw/zinc/76/96/21/1066769621.db2.gz ZPRYCOLJUCUEEF-QFBILLFUSA-N 0 0 450.485 4.871 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001447054251 1066769582 /nfs/dbraw/zinc/76/95/82/1066769582.db2.gz QHHMUTYTJUGLJO-LIRRHRJNSA-N 0 0 452.382 4.572 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Br)s2)s1 ZINC001492657034 1066769908 /nfs/dbraw/zinc/76/99/08/1066769908.db2.gz PUOGLWCZMNVYMI-OAHLLOKOSA-N 0 0 496.500 4.949 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)CN2c3ccccc3OC(F)(F)C2=O)cc1 ZINC001457135599 1066770178 /nfs/dbraw/zinc/77/01/78/1066770178.db2.gz DDMPBQZRCUQALX-INIZCTEOSA-N 0 0 452.457 4.558 20 0 JJADRN C[C@@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)n1ccc2ccccc2c1=O ZINC001457135507 1066770199 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JAHSDPOTNSOFJM-YCRPNKLZSA-N 0 0 455.813 4.703 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)C)nnc2N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)s1 ZINC001492657632 1066771098 /nfs/dbraw/zinc/77/10/98/1066771098.db2.gz YMJGUNGGPFXEJE-SFHVURJKSA-N 0 0 488.652 4.954 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C12CCCC2 ZINC001457138314 1066771019 /nfs/dbraw/zinc/77/10/19/1066771019.db2.gz BXNUXHUWDCMQSA-PKTZIBPZSA-N 0 0 457.592 4.539 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC001447074044 1066771369 /nfs/dbraw/zinc/77/13/69/1066771369.db2.gz TXWFHHVCIJKTBX-NRFANRHFSA-N 0 0 451.617 4.864 20 0 JJADRN CCc1c(Br)cc(C(=O)NCc2nc3cc(C)ccc3[nH]2)cc1Br ZINC001457142898 1066771432 /nfs/dbraw/zinc/77/14/32/1066771432.db2.gz NIJYOBVBMGVUTI-UHFFFAOYSA-N 0 0 451.162 4.889 20 0 JJADRN CC[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC001545992304 1066771446 /nfs/dbraw/zinc/77/14/46/1066771446.db2.gz HJPNWBKLIHKVTO-FXAWDEMLSA-N 0 0 473.618 4.576 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492657851 1066771909 /nfs/dbraw/zinc/77/19/09/1066771909.db2.gz CYLSYLGDSOJQBC-IBGZPJMESA-N 0 0 468.627 4.512 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492657782 1066771964 /nfs/dbraw/zinc/77/19/64/1066771964.db2.gz AHTVYYVPNWHYJR-AWEZNQCLSA-N 0 0 482.473 4.754 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492657852 1066772010 /nfs/dbraw/zinc/77/20/10/1066772010.db2.gz CYLSYLGDSOJQBC-LJQANCHMSA-N 0 0 468.627 4.512 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001457144198 1066772011 /nfs/dbraw/zinc/77/20/11/1066772011.db2.gz WMJCPGYBHPAULS-ZCYRUUNBSA-N 0 0 480.605 4.813 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001457144191 1066772122 /nfs/dbraw/zinc/77/21/22/1066772122.db2.gz WMJCPGYBHPAULS-SGXKSUMTSA-N 0 0 480.605 4.813 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCCCO2)s1 ZINC001492658202 1066772488 /nfs/dbraw/zinc/77/24/88/1066772488.db2.gz OFYKDOOFTXQFHO-INIZCTEOSA-N 0 0 476.444 4.835 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnn(C)c2)s1 ZINC001492658422 1066772535 /nfs/dbraw/zinc/77/25/35/1066772535.db2.gz CQAVGUYSZVMYEY-GOSISDBHSA-N 0 0 465.627 4.526 20 0 JJADRN Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc2n[nH]cc21 ZINC001447099818 1066772682 /nfs/dbraw/zinc/77/26/82/1066772682.db2.gz SVTVOXGYBIXOEX-UHFFFAOYSA-N 0 0 454.939 4.886 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2c(C)cc(Br)cc2Cl)n1 ZINC001457145940 1066772520 /nfs/dbraw/zinc/77/25/20/1066772520.db2.gz CHIYUEOUNYHLAR-NSHDSACASA-N 0 0 450.720 4.961 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CSCCS2)CCO1 ZINC001546087252 1066772547 /nfs/dbraw/zinc/77/25/47/1066772547.db2.gz IVRJBWOXMVDWOP-NTKDMRAZSA-N 0 0 492.711 4.595 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H](OC)C(F)(F)F)CCO1 ZINC001546087247 1066772673 /nfs/dbraw/zinc/77/26/73/1066772673.db2.gz IVIFFWMKKGGGBJ-LPHOPBHVSA-N 0 0 464.891 4.710 20 0 JJADRN COC[C@]1(C(=O)Nc2cc(Cc3ccccc3)ccc2O)CCCCN1C(=O)OC(C)(C)C ZINC001447094022 1066772718 /nfs/dbraw/zinc/77/27/18/1066772718.db2.gz NICDHUNEEGUGNO-SANMLTNESA-N 0 0 454.567 4.728 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)s1 ZINC001492658569 1066772987 /nfs/dbraw/zinc/77/29/87/1066772987.db2.gz GXQMPAQWBHEHOW-KRWDZBQOSA-N 0 0 461.035 4.899 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492658434 1066773157 /nfs/dbraw/zinc/77/31/57/1066773157.db2.gz RQKFBLOUWSBDLY-UHFFFAOYSA-N 0 0 475.441 4.922 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492658713 1066773653 /nfs/dbraw/zinc/77/36/53/1066773653.db2.gz IHRRTLGCSJVSGK-HOTGVXAUSA-N 0 0 470.668 4.599 20 0 JJADRN COc1ccc(Cl)c(-c2cc(C(=O)N[C@H](C)c3nc(-c4ccccc4OC)no3)on2)c1 ZINC001457150785 1066773540 /nfs/dbraw/zinc/77/35/40/1066773540.db2.gz RRVSVLBHZOZCNW-GFCCVEGCSA-N 0 0 454.870 4.553 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(F)(F)Br)CCO1 ZINC001546087592 1066773638 /nfs/dbraw/zinc/77/36/38/1066773638.db2.gz OZRJZMZJNMCBCQ-KRWDZBQOSA-N 0 0 479.753 4.600 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3sc(-c4ccc(C)cc4F)nc3C)CC2)n1 ZINC001457150524 1066773662 /nfs/dbraw/zinc/77/36/62/1066773662.db2.gz QRCIBGPPPNQHQO-UHFFFAOYSA-N 0 0 454.571 4.759 20 0 JJADRN CCOC(=O)CC1(CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001447104359 1066773824 /nfs/dbraw/zinc/77/38/24/1066773824.db2.gz PIGUXMJYSVRGNI-IBGZPJMESA-N 0 0 452.636 4.680 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H]2CCSC2)s1 ZINC001492658886 1066774013 /nfs/dbraw/zinc/77/40/13/1066774013.db2.gz KPZKGCDAYBXAGU-INIZCTEOSA-N 0 0 464.458 4.771 20 0 JJADRN Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)s1 ZINC001492658978 1066774197 /nfs/dbraw/zinc/77/41/97/1066774197.db2.gz MFDDGPXDCOUXFY-UHFFFAOYSA-N 0 0 484.645 4.503 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCCO)CCO1 ZINC001546087718 1066774761 /nfs/dbraw/zinc/77/47/61/1066774761.db2.gz RNHQCOVDDRSMLI-JOCHJYFZSA-N 0 0 465.436 4.574 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCCO)CCO1 ZINC001546087719 1066774771 /nfs/dbraw/zinc/77/47/71/1066774771.db2.gz RNHQCOVDDRSMLI-QFIPXVFZSA-N 0 0 465.436 4.574 20 0 JJADRN CCOC(=O)c1ccc(NCCNC(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)nc1 ZINC001457154708 1066774783 /nfs/dbraw/zinc/77/47/83/1066774783.db2.gz LYCPVPZJJLNYSU-UHFFFAOYSA-N 0 0 456.546 4.568 20 0 JJADRN COc1ccc(CN(C(=O)CCc2cccc(F)c2Br)[C@H](CO)C(C)C)cc1 ZINC001447111129 1066774932 /nfs/dbraw/zinc/77/49/32/1066774932.db2.gz QRVGNAOJNMDYLL-HXUWFJFHSA-N 0 0 452.364 4.575 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOc2ncccc2F)CCO1 ZINC001546087771 1066775119 /nfs/dbraw/zinc/77/51/19/1066775119.db2.gz SNPBHDFDLUEMLX-SANMLTNESA-N 0 0 467.589 4.861 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001546087743 1066775315 /nfs/dbraw/zinc/77/53/15/1066775315.db2.gz SCNNLNMVLJYGKF-JWQCQUIFSA-N 0 0 477.049 4.944 20 0 JJADRN C[C@H](C(=O)NCC1(c2ccccc2Cl)CCCCC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001447113013 1066775503 /nfs/dbraw/zinc/77/55/03/1066775503.db2.gz ZJYGQTVJZBOGGJ-PXNSSMCTSA-N 0 0 453.023 4.522 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546087818 1066775802 /nfs/dbraw/zinc/77/58/02/1066775802.db2.gz UNBXEKSTWROYPS-DEOSSOPVSA-N 0 0 457.022 4.813 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001457159877 1066775833 /nfs/dbraw/zinc/77/58/33/1066775833.db2.gz CKLSIEIXRFQYIT-RHSMWYFYSA-N 0 0 453.322 4.671 20 0 JJADRN CC[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545992832 1066776043 /nfs/dbraw/zinc/77/60/43/1066776043.db2.gz NVEDOGBVUUZJSM-GHTZIAJQSA-N 0 0 473.618 4.576 20 0 JJADRN CS[C@@H]1CC[C@@H](NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001457161330 1066776419 /nfs/dbraw/zinc/77/64/19/1066776419.db2.gz HKWVNMXAXGJBBH-IAGOWNOFSA-N 0 0 452.498 4.737 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2nccs2)CCO1 ZINC001546087874 1066776445 /nfs/dbraw/zinc/77/64/45/1066776445.db2.gz VIBBMDNSCZZFCI-JOCHJYFZSA-N 0 0 462.019 4.702 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001492659459 1066776421 /nfs/dbraw/zinc/77/64/21/1066776421.db2.gz BRTMAKOKSDSQKR-UHFFFAOYSA-N 0 0 450.534 4.554 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)s1 ZINC001492659470 1066776458 /nfs/dbraw/zinc/77/64/58/1066776458.db2.gz BZFOKOGTYVQHDH-HNNXBMFYSA-N 0 0 452.049 4.891 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)nc1 ZINC001447116876 1066776256 /nfs/dbraw/zinc/77/62/56/1066776256.db2.gz XLAGDBHRUINIPR-SFHVURJKSA-N 0 0 450.320 4.841 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545992834 1066776412 /nfs/dbraw/zinc/77/64/12/1066776412.db2.gz NVEDOGBVUUZJSM-RXVVDRJESA-N 0 0 473.618 4.576 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccccc1 ZINC001457161967 1066776929 /nfs/dbraw/zinc/77/69/29/1066776929.db2.gz JOBGCJAXZMTWCJ-WBVHZDCISA-N 0 0 451.350 4.852 20 0 JJADRN Cc1ccc(CSc2nc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)n[nH]2)cc1 ZINC001457162251 1066776986 /nfs/dbraw/zinc/77/69/86/1066776986.db2.gz CGLIOIPXHJBWFN-UHFFFAOYSA-N 0 0 457.559 4.934 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cn1C ZINC001457161972 1066777001 /nfs/dbraw/zinc/77/70/01/1066777001.db2.gz YJZDIUNGNGFGKA-UHFFFAOYSA-N 0 0 459.502 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC001457163632 1066777296 /nfs/dbraw/zinc/77/72/96/1066777296.db2.gz AARAKGLTFJIXGZ-UPCLLVRISA-N 0 0 473.957 4.739 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(C)C)C2)s1 ZINC001492659969 1066777371 /nfs/dbraw/zinc/77/73/71/1066777371.db2.gz GACFDPIUAZGLJZ-QRVBRYPASA-N 0 0 474.675 4.653 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492660598 1066778015 /nfs/dbraw/zinc/77/80/15/1066778015.db2.gz QUTLOZOXMGMERA-CABCVRRESA-N 0 0 464.060 4.962 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1C(=O)OC ZINC001457166631 1066778039 /nfs/dbraw/zinc/77/80/39/1066778039.db2.gz AMEJXICZDWJBLU-UHFFFAOYSA-N 0 0 456.454 4.834 20 0 JJADRN Cc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492660700 1066778556 /nfs/dbraw/zinc/77/85/56/1066778556.db2.gz ZSIXLVHCHIBERH-GOSISDBHSA-N 0 0 476.691 4.824 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC001492660827 1066778705 /nfs/dbraw/zinc/77/87/05/1066778705.db2.gz WIKLMFNXFZVOPZ-OAHLLOKOSA-N 0 0 469.508 4.897 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(CC)cc3)c2)cc1 ZINC001447162941 1066779086 /nfs/dbraw/zinc/77/90/86/1066779086.db2.gz GYIPTHWUXMTTMZ-GOSISDBHSA-N 0 0 452.576 4.940 20 0 JJADRN CN1CCCC[C@H](C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)C1=O ZINC001447162735 1066779351 /nfs/dbraw/zinc/77/93/51/1066779351.db2.gz WFMHOBRFEUBDSQ-CQSZACIVSA-N 0 0 452.299 4.668 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CCc2c(C)noc2C)cs1 ZINC001492661104 1066779692 /nfs/dbraw/zinc/77/96/92/1066779692.db2.gz CXDMYBRYGKVYOT-INIZCTEOSA-N 0 0 480.638 4.644 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC001457173711 1066780167 /nfs/dbraw/zinc/78/01/67/1066780167.db2.gz YFFFHRBZJSMXJA-UHFFFAOYSA-N 0 0 451.832 4.985 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(C)c(Br)c4)n3CCCC(C)C)CCO2)no1 ZINC001492661353 1066780213 /nfs/dbraw/zinc/78/02/13/1066780213.db2.gz AEBQLHONBCIYBC-LJQANCHMSA-N 0 0 489.418 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3)n2CCCN(C)CC(F)(F)F)cs1 ZINC001492661185 1066780298 /nfs/dbraw/zinc/78/02/98/1066780298.db2.gz FOUCPPPVCSPLGA-INIZCTEOSA-N 0 0 466.577 4.715 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@](C)(O)c2ccc(F)cc2)cs1 ZINC001492661296 1066780345 /nfs/dbraw/zinc/78/03/45/1066780345.db2.gz HJEUDIRQVIQNCP-CMJOXMDJSA-N 0 0 471.627 4.940 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C(F)F ZINC001447170117 1066780442 /nfs/dbraw/zinc/78/04/42/1066780442.db2.gz OTWRXJTYXUVKGV-YVEFUNNKSA-N 0 0 459.324 4.942 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1cc2cc(Br)ccc2s1 ZINC001447194767 1066781427 /nfs/dbraw/zinc/78/14/27/1066781427.db2.gz FKULQKGNIRJMAS-KRWDZBQOSA-N 0 0 459.365 4.513 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC(=O)NC2CCCCC2)cs1 ZINC001492661748 1066781289 /nfs/dbraw/zinc/78/12/89/1066781289.db2.gz LSIHACNZUDQBAR-OAHLLOKOSA-N 0 0 488.608 4.558 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1occc1CSc1ccccc1 ZINC001447195148 1066781745 /nfs/dbraw/zinc/78/17/45/1066781745.db2.gz DETPQUCAEOJWCO-SFHVURJKSA-N 0 0 450.560 4.669 20 0 JJADRN C[C@H](OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(Cl)ccc2n1C ZINC001457183715 1066781803 /nfs/dbraw/zinc/78/18/03/1066781803.db2.gz HUTCMJJRQKVCFJ-YRYLYKBFSA-N 0 0 451.954 4.783 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1sc2ccccc2c1Br ZINC001447200525 1066781901 /nfs/dbraw/zinc/78/19/01/1066781901.db2.gz KZPXADHJTXGOFR-OAHLLOKOSA-N 0 0 459.365 4.513 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)c2N1 ZINC001447195271 1066781997 /nfs/dbraw/zinc/78/19/97/1066781997.db2.gz HOJDBHYTJCUTAZ-BDJLRTHQSA-N 0 0 469.920 4.940 20 0 JJADRN COc1ccc(O[C@@H](C)CNC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 ZINC001457187289 1066782375 /nfs/dbraw/zinc/78/23/75/1066782375.db2.gz CJMIEBDPRPOENR-IBGZPJMESA-N 0 0 457.530 4.754 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC(=O)NC2CCCCC2)cs1 ZINC001492662232 1066782289 /nfs/dbraw/zinc/78/22/89/1066782289.db2.gz QRIPZGJPRYODHT-OAHLLOKOSA-N 0 0 488.608 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCCCn2ccnc2C)cs1 ZINC001492662573 1066782349 /nfs/dbraw/zinc/78/23/49/1066782349.db2.gz WFPCFLZIURCIFI-INIZCTEOSA-N 0 0 455.657 4.878 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)sc2C)cc1 ZINC001447205834 1066782369 /nfs/dbraw/zinc/78/23/69/1066782369.db2.gz OHGLFJIOOIAJLD-FQEVSTJZSA-N 0 0 450.560 4.581 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccccc1 ZINC001447214512 1066782787 /nfs/dbraw/zinc/78/27/87/1066782787.db2.gz ZAKUKBCTTUNOMP-RSXGOPAZSA-N 0 0 458.558 4.605 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1)NC(=O)OC(C)(C)C ZINC001545993562 1066782892 /nfs/dbraw/zinc/78/28/92/1066782892.db2.gz YSUNNKSPBVUEGZ-DLBZAZTESA-N 0 0 464.680 4.866 20 0 JJADRN C[C@H](OC(=O)c1ccc(I)cc1F)c1nc2ccc(Cl)cc2n1C ZINC001457190500 1066782873 /nfs/dbraw/zinc/78/28/73/1066782873.db2.gz RQYYQEMRTOVQNB-VIFPVBQESA-N 0 0 458.658 4.888 20 0 JJADRN Cc1nc([C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CCO2)no1 ZINC001492662990 1066782900 /nfs/dbraw/zinc/78/29/00/1066782900.db2.gz PIYXMLAUKNNLEY-UZLBHIALSA-N 0 0 472.565 4.653 20 0 JJADRN CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc(C(C)(C)C)c1O ZINC001447208589 1066782933 /nfs/dbraw/zinc/78/29/33/1066782933.db2.gz QVBULJZITNMDBY-FQEVSTJZSA-N 0 0 452.595 4.836 20 0 JJADRN COc1cc(OC)cc(N2C[C@H](C(=O)O[C@H](c3cccc(Cl)c3)C(F)(F)F)CC2=O)c1 ZINC001457191871 1066783292 /nfs/dbraw/zinc/78/32/92/1066783292.db2.gz NRJNYNBYXBGVAF-BFUOFWGJSA-N 0 0 457.832 4.557 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](F)C2)cs1 ZINC001492663455 1066783345 /nfs/dbraw/zinc/78/33/45/1066783345.db2.gz AASPAMUAZOLUSS-MSOLQXFVSA-N 0 0 492.665 4.608 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCOc2ncccc2Cl)cs1 ZINC001492663652 1066783430 /nfs/dbraw/zinc/78/34/30/1066783430.db2.gz GEGWRHDLFYCYQQ-CRAIPNDOSA-N 0 0 461.035 4.776 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492664269 1066784428 /nfs/dbraw/zinc/78/44/28/1066784428.db2.gz HIEOLZWLCOEHEF-KBPBESRZSA-N 0 0 471.656 4.739 20 0 JJADRN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CCSc1ccccc1Br ZINC001447235949 1066784584 /nfs/dbraw/zinc/78/45/84/1066784584.db2.gz ZARUKCUKBMUAQY-QGZVFWFLSA-N 0 0 450.398 4.612 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCc2ccccc2C)cs1 ZINC001492664145 1066784570 /nfs/dbraw/zinc/78/45/70/1066784570.db2.gz CTBBHIJYJJZAJR-KRWDZBQOSA-N 0 0 452.653 4.881 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)C)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492664582 1066784612 /nfs/dbraw/zinc/78/46/12/1066784612.db2.gz MVJGUUUQBUSVHP-UHFFFAOYSA-N 0 0 453.534 4.867 20 0 JJADRN O=C(c1cc2c(cccc2OC(F)(F)F)[nH]1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001447249581 1066784917 /nfs/dbraw/zinc/78/49/17/1066784917.db2.gz IKMKMIXNELUAIH-SFHVURJKSA-N 0 0 456.367 4.882 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1 ZINC001447248789 1066784983 /nfs/dbraw/zinc/78/49/83/1066784983.db2.gz XCHLQQFZLFUXBN-UHFFFAOYSA-N 0 0 450.495 4.577 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492665266 1066786124 /nfs/dbraw/zinc/78/61/24/1066786124.db2.gz BUWBULOVOGAFGY-NRFANRHFSA-N 0 0 482.654 4.670 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@]2(O)CCC[C@@H]2C)cs1 ZINC001492665245 1066786234 /nfs/dbraw/zinc/78/62/34/1066786234.db2.gz BHOFSUVBLHPHOB-OYHNWAKOSA-N 0 0 479.572 4.840 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CCOC[C@@H]2C)cs1 ZINC001492665212 1066786315 /nfs/dbraw/zinc/78/63/15/1066786315.db2.gz AMRSRHUIEVEVQI-YJBOKZPZSA-N 0 0 479.572 4.962 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(Br)c3)n2CCCOC(F)F)cs1 ZINC001492665523 1066787111 /nfs/dbraw/zinc/78/71/11/1066787111.db2.gz LRCQJEBIXCUPCG-UHFFFAOYSA-N 0 0 486.386 4.662 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001457200753 1066787163 /nfs/dbraw/zinc/78/71/63/1066787163.db2.gz QUJIDAFWYGPKFL-SFHVURJKSA-N 0 0 452.860 4.582 20 0 JJADRN O=C(CCSc1ccc(Br)cc1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001457200762 1066787368 /nfs/dbraw/zinc/78/73/68/1066787368.db2.gz QUSDOOPGYUVQKW-QGZVFWFLSA-N 0 0 453.789 4.506 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccco3)n2Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC001492665536 1066787319 /nfs/dbraw/zinc/78/73/19/1066787319.db2.gz MEDUUMDPTFLBSX-UHFFFAOYSA-N 0 0 478.622 4.896 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001457200848 1066787417 /nfs/dbraw/zinc/78/74/17/1066787417.db2.gz RDJFZEBDRMOHIV-IBGZPJMESA-N 0 0 453.995 4.966 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCCOC2CCCC2)cs1 ZINC001492665789 1066787816 /nfs/dbraw/zinc/78/78/16/1066787816.db2.gz ADIWPKFMOOPMBN-UHFFFAOYSA-N 0 0 461.582 4.898 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@H]2OCC[C@H]2C)cs1 ZINC001492665753 1066787826 /nfs/dbraw/zinc/78/78/26/1066787826.db2.gz UMUNGCWAQQKQCQ-AUUYWEPGSA-N 0 0 465.545 4.714 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCC3(C)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001457203275 1066788359 /nfs/dbraw/zinc/78/83/59/1066788359.db2.gz ZYAFKYGYDZYLGB-PXDATVDWSA-N 0 0 450.579 4.803 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(Br)ccc2O)c2ccccc2)cc1 ZINC001447279932 1066788216 /nfs/dbraw/zinc/78/82/16/1066788216.db2.gz WOVDHWDEVCUKAN-LJQANCHMSA-N 0 0 453.336 4.963 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2CCCOC(C)C)cs1 ZINC001492665833 1066788438 /nfs/dbraw/zinc/78/84/38/1066788438.db2.gz BAZCNBDSZDQJLL-UHFFFAOYSA-N 0 0 478.460 4.848 20 0 JJADRN CCCO[C@H](C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(F)cc1C ZINC001457203384 1066788431 /nfs/dbraw/zinc/78/84/31/1066788431.db2.gz RAFDKHHFFARFIV-QFIPXVFZSA-N 0 0 450.938 4.717 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC001447300451 1066788834 /nfs/dbraw/zinc/78/88/34/1066788834.db2.gz CFYNYINSZXNAHK-QHCPKHFHSA-N 0 0 459.464 4.899 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cc2cnc3ccccc3n2)c1 ZINC001447304595 1066789224 /nfs/dbraw/zinc/78/92/24/1066789224.db2.gz FMVLDXXHTDYXRA-HRFSGMKKSA-N 0 0 455.558 4.579 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001447300801 1066789376 /nfs/dbraw/zinc/78/93/76/1066789376.db2.gz HLOLESKZJJWRMD-PIJWYQRNSA-N 0 0 459.571 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001457205454 1066789295 /nfs/dbraw/zinc/78/92/95/1066789295.db2.gz YEGWDNFQOFKILN-AVRDEDQJSA-N 0 0 457.398 4.809 20 0 JJADRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2cnc(-c3ccccc3Cl)nc2)c1 ZINC001447307516 1066789714 /nfs/dbraw/zinc/78/97/14/1066789714.db2.gz SEMYSJBUQTWIMW-UHFFFAOYSA-N 0 0 457.921 4.760 20 0 JJADRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC001447305604 1066789974 /nfs/dbraw/zinc/78/99/74/1066789974.db2.gz OVHKYYCUTOIZDF-UHFFFAOYSA-N 0 0 459.937 4.548 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2O)c1 ZINC001447306575 1066790035 /nfs/dbraw/zinc/79/00/35/1066790035.db2.gz IOBOFWANJNVDRM-JOCHJYFZSA-N 0 0 456.336 4.539 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1CNC(=O)OC(C)(C)C ZINC001457208546 1066790722 /nfs/dbraw/zinc/79/07/22/1066790722.db2.gz PWJSZUMJDVFIFY-BBRMVZONSA-N 0 0 451.361 4.961 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC001447315815 1066790837 /nfs/dbraw/zinc/79/08/37/1066790837.db2.gz PSDTWNXERPIUNX-VSKRKVRLSA-N 0 0 451.485 4.648 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C)[C@@H]3CNC(=O)OC(C)(C)C)s2)cc1 ZINC001457209532 1066791269 /nfs/dbraw/zinc/79/12/69/1066791269.db2.gz UGSWHQWSRWDYRK-KXBFYZLASA-N 0 0 459.612 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492666439 1066791492 /nfs/dbraw/zinc/79/14/92/1066791492.db2.gz UEJYNRJZBJGZIG-MRXNPFEDSA-N 0 0 488.633 4.665 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1NC(=O)c1ccco1 ZINC001457211529 1066791794 /nfs/dbraw/zinc/79/17/94/1066791794.db2.gz XROXGOYXDRFPLL-PXNSSMCTSA-N 0 0 455.555 4.606 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCc2scnc2C)cs1 ZINC001492666533 1066791887 /nfs/dbraw/zinc/79/18/87/1066791887.db2.gz XVAWGLLOBDOOMV-UHFFFAOYSA-N 0 0 460.579 4.556 20 0 JJADRN Cn1c2ccc(NC(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)cc2nc1C(C)(C)C ZINC001447321540 1066791862 /nfs/dbraw/zinc/79/18/62/1066791862.db2.gz YTAZUUQOPVAFIN-VWLOTQADSA-N 0 0 452.530 4.560 20 0 JJADRN Cn1c2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2nc1C(C)(C)C ZINC001447321541 1066791928 /nfs/dbraw/zinc/79/19/28/1066791928.db2.gz YUDNNVCXKANBOB-UHFFFAOYSA-N 0 0 453.593 4.822 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2CC2=CCCOC2)cs1 ZINC001492666453 1066791987 /nfs/dbraw/zinc/79/19/87/1066791987.db2.gz UNNNMGBUYJCAFM-UHFFFAOYSA-N 0 0 481.519 4.775 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC[C@@H](C)c2ccccc21 ZINC001457217664 1066792532 /nfs/dbraw/zinc/79/25/32/1066792532.db2.gz HLJPLKRZBHPNGW-QKFKETGDSA-N 0 0 455.352 4.555 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCC(F)(F)C2)cs1 ZINC001492667182 1066792799 /nfs/dbraw/zinc/79/27/99/1066792799.db2.gz XKVDROMAZLXGNU-INIZCTEOSA-N 0 0 461.586 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC001447325557 1066793051 /nfs/dbraw/zinc/79/30/51/1066793051.db2.gz GYDZIJXTPKSNJS-KOSHJBKYSA-N 0 0 451.007 4.995 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCc2ccc(F)c(F)c2)cs1 ZINC001492666933 1066792946 /nfs/dbraw/zinc/79/29/46/1066792946.db2.gz NEFHSSOHJUVOHQ-UHFFFAOYSA-N 0 0 483.592 4.705 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001457222544 1066793467 /nfs/dbraw/zinc/79/34/67/1066793467.db2.gz IFIQDUCRUSHVAN-DEFALTHMSA-N 0 0 454.876 4.698 20 0 JJADRN CC[C@@H]1CN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447330160 1066794067 /nfs/dbraw/zinc/79/40/67/1066794067.db2.gz HPPOOCJCCIBWPT-LSBZLQRGSA-N 0 0 454.489 4.545 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329568 1066794083 /nfs/dbraw/zinc/79/40/83/1066794083.db2.gz HGINYUCBRCQSMM-VWNXMTODSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2CCc2ccc(Br)s2)cs1 ZINC001492667499 1066794052 /nfs/dbraw/zinc/79/40/52/1066794052.db2.gz HNWWBZKGUJKOIR-INIZCTEOSA-N 0 0 496.500 4.706 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3csc(Br)c3)n2CCC2CC2)cs1 ZINC001492666607 1066794078 /nfs/dbraw/zinc/79/40/78/1066794078.db2.gz AKYWMBUZLYYYRJ-UHFFFAOYSA-N 0 0 452.447 4.894 20 0 JJADRN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001447332601 1066794351 /nfs/dbraw/zinc/79/43/51/1066794351.db2.gz ORYDFQMDXYPAEE-UHFFFAOYSA-N 0 0 455.337 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC3)n2Cc2cc(Cl)ccc2OC(F)F)cs1 ZINC001492667588 1066794455 /nfs/dbraw/zinc/79/44/55/1066794455.db2.gz JXXNYZKMGGOGGX-UHFFFAOYSA-N 0 0 453.946 4.783 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447330667 1066794520 /nfs/dbraw/zinc/79/45/20/1066794520.db2.gz IZJADUWWCUMLAP-WWMMDOJLSA-N 0 0 479.662 4.708 20 0 JJADRN COc1cc(I)ccc1C(=O)OCc1cccc(OC(F)(F)F)c1 ZINC001457227851 1066794896 /nfs/dbraw/zinc/79/48/96/1066794896.db2.gz UVUCXGXVMMHRCS-UHFFFAOYSA-N 0 0 452.166 4.555 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC001457229950 1066794916 /nfs/dbraw/zinc/79/49/16/1066794916.db2.gz VVOWECIGFCUMKE-OAHLLOKOSA-N 0 0 455.942 4.583 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC001457230277 1066795001 /nfs/dbraw/zinc/79/50/01/1066795001.db2.gz RRDWAGBPCPKNBM-QHCPKHFHSA-N 0 0 459.546 4.821 20 0 JJADRN C[C@@H](NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)c1cc(Cl)ccc1F ZINC001447335081 1066795348 /nfs/dbraw/zinc/79/53/48/1066795348.db2.gz QTRNHOMKRFKLGE-IQMFZBJNSA-N 0 0 454.970 4.589 20 0 JJADRN CC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447335580 1066795474 /nfs/dbraw/zinc/79/54/74/1066795474.db2.gz VKNFNNNIXDBHRM-RDTXWAMCSA-N 0 0 457.384 4.673 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001447335182 1066795484 /nfs/dbraw/zinc/79/54/84/1066795484.db2.gz RSNDMKBPNYQDGC-AWEZNQCLSA-N 0 0 456.180 4.837 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)C3)n2CCNc2ncc(Cl)cc2Cl)cs1 ZINC001492668061 1066795404 /nfs/dbraw/zinc/79/54/04/1066795404.db2.gz XYLCSTLVZMAGON-UHFFFAOYSA-N 0 0 484.432 4.632 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2cccc(NC(=O)C3CCC3)c2)cs1 ZINC001492668400 1066795956 /nfs/dbraw/zinc/79/59/56/1066795956.db2.gz JLTZIQMHCIJMIQ-UHFFFAOYSA-N 0 0 492.571 4.809 20 0 JJADRN Cc1c(C(=O)NCc2ccc(Br)cc2C(F)(F)F)sc2nc(C)nc(N)c12 ZINC001447336487 1066796044 /nfs/dbraw/zinc/79/60/44/1066796044.db2.gz WDPCUYWHWDKWFQ-UHFFFAOYSA-N 0 0 459.291 4.602 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C ZINC001457236872 1066796360 /nfs/dbraw/zinc/79/63/60/1066796360.db2.gz ZUWSQQRNQWWUPQ-RTBURBONSA-N 0 0 451.567 4.506 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4sccc43)cc2)cc1 ZINC001447346732 1066796946 /nfs/dbraw/zinc/79/69/46/1066796946.db2.gz MQRRUHCHTTUAHA-OAQYLSRUSA-N 0 0 456.589 4.755 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)s2)c(F)c1 ZINC001457240424 1066797259 /nfs/dbraw/zinc/79/72/59/1066797259.db2.gz ASVXBKANNWICDN-KRWDZBQOSA-N 0 0 456.465 4.650 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC001447349122 1066797637 /nfs/dbraw/zinc/79/76/37/1066797637.db2.gz MATSTRKXGCUZLT-UHFFFAOYSA-N 0 0 457.796 4.682 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)CSc1ccc(Br)cc1C)C(F)(F)F ZINC001457247884 1066797584 /nfs/dbraw/zinc/79/75/84/1066797584.db2.gz MYGBHKOGUJUVJZ-INIZCTEOSA-N 0 0 450.324 4.620 20 0 JJADRN CON(CCNC(=O)OC(C)(C)C)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001457244414 1066797813 /nfs/dbraw/zinc/79/78/13/1066797813.db2.gz HYJFBVJMYZYRDA-UHFFFAOYSA-N 0 0 450.620 4.835 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(F)(F)F ZINC001457252593 1066798239 /nfs/dbraw/zinc/79/82/39/1066798239.db2.gz UJCIJZRCIDNATL-SFHVURJKSA-N 0 0 459.559 4.704 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)C(F)(F)F ZINC001457263012 1066798767 /nfs/dbraw/zinc/79/87/67/1066798767.db2.gz GFXQQLNAKNQCOA-VVVCHXIZSA-N 0 0 450.274 4.852 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccn3)n2C[C@H](F)c2ccc(Br)cc2)CCO1 ZINC001546089231 1066798780 /nfs/dbraw/zinc/79/87/80/1066798780.db2.gz KLVGSQLNCDRKII-AVRDEDQJSA-N 0 0 474.378 4.819 20 0 JJADRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)COc2cccc(C(F)(F)F)c2)n1 ZINC001457263811 1066798832 /nfs/dbraw/zinc/79/88/32/1066798832.db2.gz DJLVHEYYMQUFMZ-UHFFFAOYSA-N 0 0 455.820 4.615 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)cs1 ZINC001492669882 1066798671 /nfs/dbraw/zinc/79/86/71/1066798671.db2.gz KGIGJISKALIUGX-UYAOXDASSA-N 0 0 483.535 4.870 20 0 JJADRN Cc1nc(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCc2sc(C)nc2C)cs1 ZINC001492669633 1066798678 /nfs/dbraw/zinc/79/86/78/1066798678.db2.gz FICOVKAZOZJXPA-UHFFFAOYSA-N 0 0 456.641 4.958 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)cc2)c1 ZINC001447362844 1066798861 /nfs/dbraw/zinc/79/88/61/1066798861.db2.gz XWSAYQIVKHHLNU-QGZVFWFLSA-N 0 0 451.544 4.931 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001457264463 1066799158 /nfs/dbraw/zinc/79/91/58/1066799158.db2.gz FLMMLUMOCSAYPT-CVEARBPZSA-N 0 0 451.951 4.522 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)O[C@H]2CCCc3cc(F)ccc32)cc1 ZINC001457265391 1066799172 /nfs/dbraw/zinc/79/91/72/1066799172.db2.gz CWXAPZRBHSZDKI-NRFANRHFSA-N 0 0 459.539 4.685 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994990 1066799801 /nfs/dbraw/zinc/79/98/01/1066799801.db2.gz KHRXVRRBKVKXOR-FCHUYYIVSA-N 0 0 485.673 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N(CC(C)C)C3CCCC3)n2CCS(=O)(=O)c2ccccc2)cs1 ZINC001492670322 1066800051 /nfs/dbraw/zinc/80/00/51/1066800051.db2.gz SIIKLXBQPKLRKB-UHFFFAOYSA-N 0 0 487.695 4.513 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(OCC(F)F)cc3)[nH]c(=O)c2c1C ZINC001457269093 1066800186 /nfs/dbraw/zinc/80/01/86/1066800186.db2.gz PRIHKBXCJNYSMU-LBPRGKRZSA-N 0 0 453.536 4.918 20 0 JJADRN COCCn1c(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)nc2ccccc21 ZINC001447369175 1066800148 /nfs/dbraw/zinc/80/01/48/1066800148.db2.gz ODLVHYJOEUSELP-UHFFFAOYSA-N 0 0 455.971 4.561 20 0 JJADRN Cc1nc(Cc2nnc(N(CCC(C)C)C3CC3)n2Cc2nnc(C(C)(C)C)s2)cs1 ZINC001492670534 1066800775 /nfs/dbraw/zinc/80/07/75/1066800775.db2.gz WJRMYHKBFTVPKS-UHFFFAOYSA-N 0 0 459.689 4.846 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc1 ZINC001457269270 1066800713 /nfs/dbraw/zinc/80/07/13/1066800713.db2.gz FPNLISHZHKROMT-INIZCTEOSA-N 0 0 454.596 4.940 20 0 JJADRN COc1cccc(C(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c2cccc(OC)c2)c1 ZINC001457270534 1066800832 /nfs/dbraw/zinc/80/08/32/1066800832.db2.gz RJJFNTQGALAMNQ-VGSWGCGISA-N 0 0 454.567 4.555 20 0 JJADRN C[C@H](C(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21)n1ccc(C(F)(F)F)n1 ZINC001457269247 1066800858 /nfs/dbraw/zinc/80/08/58/1066800858.db2.gz WRIGWQLVPWJBGP-IAGOWNOFSA-N 0 0 456.468 4.679 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)C1 ZINC001447374737 1066801206 /nfs/dbraw/zinc/80/12/06/1066801206.db2.gz BYTYMXWGFNCHKS-VXKWHMMOSA-N 0 0 454.659 4.812 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2Cc2cccnc2OCC(F)(F)F)cs1 ZINC001492670965 1066801326 /nfs/dbraw/zinc/80/13/26/1066801326.db2.gz NTYHSPZTNLSOPP-LSDHHAIUSA-N 0 0 480.560 4.643 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457273941 1066801257 /nfs/dbraw/zinc/80/12/57/1066801257.db2.gz BGKKPBTWVYGCBX-UHFFFAOYSA-N 0 0 458.484 4.936 20 0 JJADRN CC(C)O[C@@H]1C[C@H](NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1(C)C ZINC001447380942 1066802096 /nfs/dbraw/zinc/80/20/96/1066802096.db2.gz YPITUJAQUJHNJO-XZOQPEGZSA-N 0 0 452.620 4.690 20 0 JJADRN CC(C)Oc1ccc2ccccc2c1CNC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001447388361 1066802805 /nfs/dbraw/zinc/80/28/05/1066802805.db2.gz STUWLEVUBIABMG-HXUWFJFHSA-N 0 0 456.583 4.659 20 0 JJADRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC001457282896 1066803124 /nfs/dbraw/zinc/80/31/24/1066803124.db2.gz CAFVLEQHQUCKBO-LLVKDONJSA-N 0 0 456.326 4.594 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001457281817 1066803186 /nfs/dbraw/zinc/80/31/86/1066803186.db2.gz YFOUQUBMPMTAGL-RYUDHWBXSA-N 0 0 456.123 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001447396665 1066803292 /nfs/dbraw/zinc/80/32/92/1066803292.db2.gz AYDICUVVWVKDLH-JOCHJYFZSA-N 0 0 456.970 4.847 20 0 JJADRN COCCOc1cccc(COC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001457286462 1066804033 /nfs/dbraw/zinc/80/40/33/1066804033.db2.gz HPCRFNBIBCKFLM-JGDYFIEFSA-N 0 0 457.954 4.503 20 0 JJADRN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC001447398114 1066803943 /nfs/dbraw/zinc/80/39/43/1066803943.db2.gz HQAGJULHZLJLEU-LPHOPBHVSA-N 0 0 451.558 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2Cc2ccccc2C)cs1 ZINC001492672617 1066804502 /nfs/dbraw/zinc/80/45/02/1066804502.db2.gz DMSKSGBTFLVFFU-JOCHJYFZSA-N 0 0 479.572 4.520 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)[C@H](C)Cc3ccsc3)C2)c2ccccc12 ZINC001457288491 1066804657 /nfs/dbraw/zinc/80/46/57/1066804657.db2.gz ZETXGAJSWABCPS-QUCCMNQESA-N 0 0 450.604 4.852 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Oc1ccccc1F ZINC001545995475 1066805761 /nfs/dbraw/zinc/80/57/61/1066805761.db2.gz SVWNTOLPXJLFSR-LJQANCHMSA-N 0 0 473.637 4.558 20 0 JJADRN CCOc1cccc([C@@H](CC)OC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)c1 ZINC001457293761 1066805813 /nfs/dbraw/zinc/80/58/13/1066805813.db2.gz NVAQVCWXUBCLND-MRXNPFEDSA-N 0 0 459.333 4.699 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492673554 1066806698 /nfs/dbraw/zinc/80/66/98/1066806698.db2.gz WKTOKYYDYYNDMZ-HUUCEWRRSA-N 0 0 464.561 4.773 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001546089667 1066806828 /nfs/dbraw/zinc/80/68/28/1066806828.db2.gz TVDZFMFWZIUABC-MWTRTKDXSA-N 0 0 464.010 4.517 20 0 JJADRN CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1sc2ccccc2c1C ZINC001447418727 1066806990 /nfs/dbraw/zinc/80/69/90/1066806990.db2.gz ZCMUQVIACLQEQC-ZIFCJYIRSA-N 0 0 459.656 4.613 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001447416681 1066807079 /nfs/dbraw/zinc/80/70/79/1066807079.db2.gz QNFOQSVQCASGHC-IBGZPJMESA-N 0 0 458.946 4.519 20 0 JJADRN COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)CCO2 ZINC001457304425 1066807502 /nfs/dbraw/zinc/80/75/02/1066807502.db2.gz WZJOSOOLXSVLNX-ZTFGCOKTSA-N 0 0 450.373 4.563 20 0 JJADRN O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001447424967 1066807434 /nfs/dbraw/zinc/80/74/34/1066807434.db2.gz IRQNGLDWKJYNKP-LJQANCHMSA-N 0 0 458.603 4.855 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CCC(C)(F)F)cs1 ZINC001492673701 1066807584 /nfs/dbraw/zinc/80/75/84/1066807584.db2.gz ZTGDZXYHPGXWTF-OAHLLOKOSA-N 0 0 498.644 4.809 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2CCCCOC(C)C)cs1 ZINC001492673946 1066807982 /nfs/dbraw/zinc/80/79/82/1066807982.db2.gz GTJMPCQLOLOKNG-HXUWFJFHSA-N 0 0 457.619 4.972 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccccc1 ZINC001545995691 1066808017 /nfs/dbraw/zinc/80/80/17/1066808017.db2.gz XAUJDFHGLNPIOO-FQRUVTKNSA-N 0 0 450.631 4.546 20 0 JJADRN CCOC(=O)c1cc(NC(=O)/C(C)=C\c2c(Cl)cccc2Cl)cc(S(C)(=O)=O)c1 ZINC001457313080 1066808029 /nfs/dbraw/zinc/80/80/29/1066808029.db2.gz BZLQXXKLQQVAHL-WQLSENKSSA-N 0 0 456.347 4.616 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545995663 1066808139 /nfs/dbraw/zinc/80/81/39/1066808139.db2.gz WMERDQKSPGSPSH-SFTDATJTSA-N 0 0 483.636 4.913 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001447428720 1066808562 /nfs/dbraw/zinc/80/85/62/1066808562.db2.gz RMWGNTYIERDRDA-JYFHCDHNSA-N 0 0 458.558 4.899 20 0 JJADRN Cc1c2cc(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)[nH]c2ccc1Br ZINC001447428755 1066808755 /nfs/dbraw/zinc/80/87/55/1066808755.db2.gz SHRKDUDJRBWJRN-UHFFFAOYSA-N 0 0 454.324 4.530 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2CCc2csc(C(C)C)n2)cs1 ZINC001492674484 1066809055 /nfs/dbraw/zinc/80/90/55/1066809055.db2.gz CNYPJSJGODKPSQ-UHFFFAOYSA-N 0 0 452.600 4.692 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492674855 1066809114 /nfs/dbraw/zinc/80/91/14/1066809114.db2.gz YAFOZCFAXBGMLP-SFHVURJKSA-N 0 0 476.691 4.810 20 0 JJADRN C[C@@]1(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC001447437574 1066809127 /nfs/dbraw/zinc/80/91/27/1066809127.db2.gz PUCVRZCXCOGCPF-REWPJTCUSA-N 0 0 457.368 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492674493 1066809128 /nfs/dbraw/zinc/80/91/28/1066809128.db2.gz CVAYJJYKVKVSJK-VQIMIIECSA-N 0 0 498.619 4.668 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cc2)c1 ZINC001457317667 1066809161 /nfs/dbraw/zinc/80/91/61/1066809161.db2.gz BUDRHTPLONYEKZ-GOSISDBHSA-N 0 0 455.436 4.736 20 0 JJADRN O=C(CCCC1CCOCC1)Nc1ccc(I)cc1Br ZINC001457318011 1066809295 /nfs/dbraw/zinc/80/92/95/1066809295.db2.gz SPEMHISTXXXDLM-UHFFFAOYSA-N 0 0 452.130 4.589 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)Nc2ccc(F)cc2I)co1 ZINC001457318320 1066809340 /nfs/dbraw/zinc/80/93/40/1066809340.db2.gz VKCISEZNDYKUNM-FNORWQNLSA-N 0 0 457.239 4.631 20 0 JJADRN O=C(Cc1ccc(F)cc1F)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 ZINC001457317274 1066809370 /nfs/dbraw/zinc/80/93/70/1066809370.db2.gz UEKUJSVLOXDJCC-UHFFFAOYSA-N 0 0 453.420 4.957 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C)[C@H]1CO ZINC001457320744 1066809792 /nfs/dbraw/zinc/80/97/92/1066809792.db2.gz ZYRYPUUDAPTZKN-GZLQHJCCSA-N 0 0 464.606 4.559 20 0 JJADRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC001447442182 1066809941 /nfs/dbraw/zinc/80/99/41/1066809941.db2.gz BWVCMSQSVQHRLO-OXJNMPFZSA-N 0 0 456.612 4.876 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492675185 1066810319 /nfs/dbraw/zinc/81/03/19/1066810319.db2.gz PLCMWBKDDAQFAZ-AWEZNQCLSA-N 0 0 467.973 4.990 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)Sc2ccccc2)cs1 ZINC001492675022 1066810365 /nfs/dbraw/zinc/81/03/65/1066810365.db2.gz LXBWEOKIUVPNIV-GOSISDBHSA-N 0 0 498.722 4.556 20 0 JJADRN O=C(c1[nH]nc(C2CC2)c1Br)N1CC=C(c2cccc(Br)c2)CC1 ZINC001447452844 1066810930 /nfs/dbraw/zinc/81/09/30/1066810930.db2.gz PUNFUIIWOVADPK-UHFFFAOYSA-N 0 0 451.162 4.742 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492675793 1066811583 /nfs/dbraw/zinc/81/15/83/1066811583.db2.gz KWLLCTPKLROSQH-SFHVURJKSA-N 0 0 495.571 4.674 20 0 JJADRN C[C@@](O)(CNC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1 ZINC001447460522 1066812031 /nfs/dbraw/zinc/81/20/31/1066812031.db2.gz ZGISECWSYHBVMH-AOYPEHQESA-N 0 0 454.973 4.704 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(OC4CCC(C)CC4)CC3)n2CCCOC(F)F)cs1 ZINC001492676196 1066812081 /nfs/dbraw/zinc/81/20/81/1066812081.db2.gz YEDJQFNBHIJYOP-UHFFFAOYSA-N 0 0 483.629 4.827 20 0 JJADRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(Br)cc2c1OCCO2 ZINC001457337123 1066812415 /nfs/dbraw/zinc/81/24/15/1066812415.db2.gz DYYHNPYIELFUCY-UHFFFAOYSA-N 0 0 450.182 4.553 20 0 JJADRN CC[C@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)Oc1ccccc1C(F)(F)F ZINC001457338592 1066812969 /nfs/dbraw/zinc/81/29/69/1066812969.db2.gz JVDBCOFWBOEBBJ-CQSZACIVSA-N 0 0 456.848 4.631 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)Oc2ccccc2)cs1 ZINC001492676436 1066813205 /nfs/dbraw/zinc/81/32/05/1066813205.db2.gz FQXUYPWAFQZSMB-RDJZCZTQSA-N 0 0 465.545 4.880 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CCC1 ZINC001447477025 1066813364 /nfs/dbraw/zinc/81/33/64/1066813364.db2.gz JQUHDCHKEHMMNV-MHZLTWQESA-N 0 0 458.602 4.770 20 0 JJADRN O=C(c1cc(Br)sc1Br)N1CCO[C@H](CCc2ccccc2)C1 ZINC001447479103 1066813458 /nfs/dbraw/zinc/81/34/58/1066813458.db2.gz REONQLQJTZOFBN-CYBMUJFWSA-N 0 0 459.203 4.747 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)COc1ccc(Br)cc1)C[C@@H](C)O2 ZINC001457344512 1066813479 /nfs/dbraw/zinc/81/34/79/1066813479.db2.gz KEMBBUWHJBGGPG-GFCCVEGCSA-N 0 0 455.146 4.713 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)CCCn2c(=O)oc3ccccc32)n1 ZINC001457342152 1066813527 /nfs/dbraw/zinc/81/35/27/1066813527.db2.gz PWYLBDVPFHVBAU-UHFFFAOYSA-N 0 0 454.914 4.915 20 0 JJADRN COc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc(OC)c1 ZINC001457343235 1066813534 /nfs/dbraw/zinc/81/35/34/1066813534.db2.gz OEOBOQGMIBVOCP-GFCCVEGCSA-N 0 0 457.379 4.588 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)C1(c2ccccc2Br)CCCCC1 ZINC001447484360 1066813932 /nfs/dbraw/zinc/81/39/32/1066813932.db2.gz JCOCKJMFCWUJEB-UHFFFAOYSA-N 0 0 453.384 4.795 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)nc12 ZINC001447486760 1066814547 /nfs/dbraw/zinc/81/45/47/1066814547.db2.gz HXRJRTKJHODGCX-NSHDSACASA-N 0 0 457.155 4.796 20 0 JJADRN CC[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)Oc1ccccc1C(F)(F)F ZINC001457349358 1066814544 /nfs/dbraw/zinc/81/45/44/1066814544.db2.gz XYKPXMSLQSJRSH-MJGOQNOKSA-N 0 0 456.892 4.900 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)Oc1ccccc1C(F)(F)F ZINC001457349354 1066814569 /nfs/dbraw/zinc/81/45/69/1066814569.db2.gz XYKPXMSLQSJRSH-IEBWSBKVSA-N 0 0 456.892 4.900 20 0 JJADRN COc1cc(NC(=O)CN(C)C(=O)c2cc3cc(C(F)(F)F)ccc3s2)cc(OC)c1 ZINC001457352315 1066814593 /nfs/dbraw/zinc/81/45/93/1066814593.db2.gz ZUPPXLRLCOALLS-UHFFFAOYSA-N 0 0 452.454 4.648 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCN(C)c2ccccc2)cs1 ZINC001492676980 1066814754 /nfs/dbraw/zinc/81/47/54/1066814754.db2.gz SQZREMKKVBFURY-QGZVFWFLSA-N 0 0 464.561 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCN(C)c2ccccc2)cs1 ZINC001492676979 1066814844 /nfs/dbraw/zinc/81/48/44/1066814844.db2.gz SQZREMKKVBFURY-KRWDZBQOSA-N 0 0 464.561 4.549 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)OC ZINC001545996713 1066815174 /nfs/dbraw/zinc/81/51/74/1066815174.db2.gz CIPXNZVNVBUWRQ-HSZRJFAPSA-N 0 0 488.076 4.566 20 0 JJADRN Cn1cc(Br)cc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)c1=O ZINC001457354995 1066815443 /nfs/dbraw/zinc/81/54/43/1066815443.db2.gz BVMKLWIRGWPUBG-UHFFFAOYSA-N 0 0 452.283 4.754 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492677004 1066815595 /nfs/dbraw/zinc/81/55/95/1066815595.db2.gz TWQDFKKTVDETSW-MJGOQNOKSA-N 0 0 476.691 4.762 20 0 JJADRN Cc1nc(Cc2nnc(N3CCc4ccccc4CC3)n2CCSCC(F)(F)F)cs1 ZINC001492677190 1066815885 /nfs/dbraw/zinc/81/58/85/1066815885.db2.gz YPRRHQXPWXTLHW-UHFFFAOYSA-N 0 0 467.586 4.535 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001457358194 1066815995 /nfs/dbraw/zinc/81/59/95/1066815995.db2.gz FAQCCGSKAUYACB-YJYMSZOUSA-N 0 0 458.477 4.738 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457361637 1066816674 /nfs/dbraw/zinc/81/66/74/1066816674.db2.gz KGXKEZKFIHZSFM-KOSHJBKYSA-N 0 0 451.007 4.825 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001492677500 1066816772 /nfs/dbraw/zinc/81/67/72/1066816772.db2.gz IFKIYLUWEGHYIS-MRXNPFEDSA-N 0 0 470.609 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001447508334 1066816826 /nfs/dbraw/zinc/81/68/26/1066816826.db2.gz DTYUSZUMSYPANI-MHECFPHRSA-N 0 0 481.420 4.883 20 0 JJADRN COc1ccccc1-c1cc(C(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)no1 ZINC001457363645 1066817010 /nfs/dbraw/zinc/81/70/10/1066817010.db2.gz MYTISPHZFWNXOW-GKVSMKOHSA-N 0 0 455.555 4.507 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)c1 ZINC001457362400 1066817095 /nfs/dbraw/zinc/81/70/95/1066817095.db2.gz WDZRJLKVTLRLQZ-NRFANRHFSA-N 0 0 454.958 4.832 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCCCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)cs1 ZINC001492677952 1066817197 /nfs/dbraw/zinc/81/71/97/1066817197.db2.gz OPTOMTBJSTXQOM-UHFFFAOYSA-N 0 0 474.675 4.804 20 0 JJADRN O=C(COc1ccccc1Cc1ccccc1)NCCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001457370044 1066817168 /nfs/dbraw/zinc/81/71/68/1066817168.db2.gz PALFRTNNJQQKSK-UHFFFAOYSA-N 0 0 459.977 4.913 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1scnc1C)NC(=O)OC(C)(C)C ZINC001545996948 1066817152 /nfs/dbraw/zinc/81/71/52/1066817152.db2.gz HJKAJCCETVNVPK-LJQANCHMSA-N 0 0 488.633 4.713 20 0 JJADRN COc1ccc(C2(C(=O)NCCc3cn4cc(Br)cc(C)c4n3)CCCC2)cc1 ZINC001447512899 1066817389 /nfs/dbraw/zinc/81/73/89/1066817389.db2.gz MFTFDNTWKUSNFM-UHFFFAOYSA-N 0 0 456.384 4.585 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3C[C@@H]4CCCC[C@]4(CNC(=O)OC(C)(C)C)C3)cs2)o1 ZINC001457364861 1066817633 /nfs/dbraw/zinc/81/76/33/1066817633.db2.gz PJBPHRJTQVJUPS-XDHUDOTRSA-N 0 0 459.612 4.798 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C(C)C)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492678243 1066817670 /nfs/dbraw/zinc/81/76/70/1066817670.db2.gz UWNUYABWKOYFBU-QGZVFWFLSA-N 0 0 450.534 4.721 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N3C[C@@H]4CCCC[C@@]4(CNC(=O)OC(C)(C)C)C3)cs2)o1 ZINC001457364832 1066817761 /nfs/dbraw/zinc/81/77/61/1066817761.db2.gz PJBPHRJTQVJUPS-BXKMTCNYSA-N 0 0 459.612 4.798 20 0 JJADRN O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001447519151 1066817975 /nfs/dbraw/zinc/81/79/75/1066817975.db2.gz HDTUJWRDPRGQJK-IOYBJCICSA-N 0 0 459.359 4.784 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCSCC(C)C)cs1 ZINC001492678416 1066818262 /nfs/dbraw/zinc/81/82/62/1066818262.db2.gz JHPNAHHBNFWPCP-SFHVURJKSA-N 0 0 494.731 4.517 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)N1CCc3cccc(NC(=O)OC(C)(C)C)c3C1)=C2 ZINC001457368363 1066818342 /nfs/dbraw/zinc/81/83/42/1066818342.db2.gz HJKBSEAHHZAIHS-UHFFFAOYSA-N 0 0 450.535 4.793 20 0 JJADRN Cc1cc(Br)c(C(=O)N(C)c2cccnc2N2CCCC2)cc1Br ZINC001457372177 1066818803 /nfs/dbraw/zinc/81/88/03/1066818803.db2.gz ZMBNBXCZTCFBMY-UHFFFAOYSA-N 0 0 453.178 4.792 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2C[C@](C)(O)c2ccccc2Cl)cs1 ZINC001492678450 1066818886 /nfs/dbraw/zinc/81/88/86/1066818886.db2.gz XUOZOLKPANFEIS-MWTRTKDXSA-N 0 0 460.047 4.821 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)[C@]13C[C@H]1CCCN3C(=O)OC(C)(C)C)CC2 ZINC001457373573 1066818896 /nfs/dbraw/zinc/81/88/96/1066818896.db2.gz SEESYARDUAVAGM-DWXRJYCRSA-N 0 0 471.598 4.708 20 0 JJADRN Cc1c(I)cccc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447527747 1066818940 /nfs/dbraw/zinc/81/89/40/1066818940.db2.gz DIBFDCJXDFCRCM-CQSZACIVSA-N 0 0 458.340 4.575 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001457378807 1066819486 /nfs/dbraw/zinc/81/94/86/1066819486.db2.gz ADIAXUPBHUCQCS-MRXNPFEDSA-N 0 0 459.409 4.684 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)cs1 ZINC001492678767 1066819465 /nfs/dbraw/zinc/81/94/65/1066819465.db2.gz NOESLKGGHFGWEL-LJQANCHMSA-N 0 0 474.700 4.734 20 0 JJADRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492678685 1066819508 /nfs/dbraw/zinc/81/95/08/1066819508.db2.gz MGQLMRPNAALQPE-QGZVFWFLSA-N 0 0 471.574 4.600 20 0 JJADRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492678684 1066819538 /nfs/dbraw/zinc/81/95/38/1066819538.db2.gz MGQLMRPNAALQPE-KRWDZBQOSA-N 0 0 471.574 4.600 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C)cc1Oc1ccnc(C(=O)NC)c1 ZINC001457387398 1066819961 /nfs/dbraw/zinc/81/99/61/1066819961.db2.gz OFLYLFYUDWCKRE-UHFFFAOYSA-N 0 0 455.461 4.671 20 0 JJADRN Cc1c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1F ZINC001457386572 1066819996 /nfs/dbraw/zinc/81/99/96/1066819996.db2.gz LEBFUCCGHJGNGY-ZDUSSCGKSA-N 0 0 452.427 4.855 20 0 JJADRN Cc1ccc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1N1CCOC1=O ZINC001457386739 1066820002 /nfs/dbraw/zinc/82/00/02/1066820002.db2.gz XREYWHMHFGSECM-UHFFFAOYSA-N 0 0 457.530 4.576 20 0 JJADRN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)CC1=O ZINC001457382983 1066820058 /nfs/dbraw/zinc/82/00/58/1066820058.db2.gz HKGRRBSXLZYATD-CQSZACIVSA-N 0 0 457.502 4.705 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H](C)c2ccccc2)cs1 ZINC001492678953 1066820120 /nfs/dbraw/zinc/82/01/20/1066820120.db2.gz QZHSMXNPBOWEJF-JXFKEZNVSA-N 0 0 479.572 4.985 20 0 JJADRN CCc1nc(C(=O)N2CCC(OCC3CCCC3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001457389646 1066820575 /nfs/dbraw/zinc/82/05/75/1066820575.db2.gz FBHOVHKBTBQYRI-UHFFFAOYSA-N 0 0 451.398 4.948 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)OCc1cc(F)cc(Br)c1 ZINC001457391033 1066820590 /nfs/dbraw/zinc/82/05/90/1066820590.db2.gz WAUMNLRXLBXPBW-CYBMUJFWSA-N 0 0 457.093 4.520 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[C@H](C)c2ccccc2)cs1 ZINC001492679134 1066820631 /nfs/dbraw/zinc/82/06/31/1066820631.db2.gz VWODWQQPPRRJMN-SIKLNZKXSA-N 0 0 480.682 4.569 20 0 JJADRN O=C(OCc1noc(-c2ccc(F)cc2)n1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC001457392258 1066820837 /nfs/dbraw/zinc/82/08/37/1066820837.db2.gz SDHKZQRMSDYVCS-UHFFFAOYSA-N 0 0 450.323 4.576 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC001447552445 1066820969 /nfs/dbraw/zinc/82/09/69/1066820969.db2.gz LDKLJIHENOHCMG-HSZRJFAPSA-N 0 0 455.480 4.717 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492679191 1066821205 /nfs/dbraw/zinc/82/12/05/1066821205.db2.gz WPSPJOCTEQNPNX-LJQANCHMSA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)cs1 ZINC001492679203 1066821256 /nfs/dbraw/zinc/82/12/56/1066821256.db2.gz WTQCSSYZHWBJIR-KKSFZXQISA-N 0 0 474.625 4.841 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC2CCC(F)(F)CC2)cs1 ZINC001492679305 1066821313 /nfs/dbraw/zinc/82/13/13/1066821313.db2.gz ZCNGQTIMVVHLIA-SFHVURJKSA-N 0 0 494.656 4.590 20 0 JJADRN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001447557426 1066821496 /nfs/dbraw/zinc/82/14/96/1066821496.db2.gz GHNCMHXAYNLAAQ-SFHVURJKSA-N 0 0 459.167 4.859 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[C@H](C)c2ccccc2)cs1 ZINC001492679480 1066821854 /nfs/dbraw/zinc/82/18/54/1066821854.db2.gz FACJVSXSTDEGOW-IBGZPJMESA-N 0 0 480.682 4.522 20 0 JJADRN C[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)Oc1ccccc1Br ZINC001457396321 1066821989 /nfs/dbraw/zinc/82/19/89/1066821989.db2.gz VOJWDNJRWQWZOD-BTCOZLQPSA-N 0 0 481.431 4.902 20 0 JJADRN CCN1C(=O)CCc2cc(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)ccc21 ZINC001447558090 1066822091 /nfs/dbraw/zinc/82/20/91/1066822091.db2.gz JRQQTXCDRACNKZ-UHFFFAOYSA-N 0 0 454.596 4.750 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)Oc1ccccc1Br ZINC001457396325 1066822099 /nfs/dbraw/zinc/82/20/99/1066822099.db2.gz VSAWYQSJXRNTKG-AWEZNQCLSA-N 0 0 459.365 4.960 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCO[C@H](c4ccccc4)C3)n2CC(F)(F)Br)cs1 ZINC001492680078 1066822412 /nfs/dbraw/zinc/82/24/12/1066822412.db2.gz ZQSUYBBBLZQAMK-KRWDZBQOSA-N 0 0 498.397 4.590 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492680070 1066822534 /nfs/dbraw/zinc/82/25/34/1066822534.db2.gz ZGYKBZSOSVBKBZ-GOSISDBHSA-N 0 0 476.691 4.810 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN([C@H](C)c4ccc(F)cc4F)CC3)n2CCC(C)(F)F)cs1 ZINC001492680404 1066822560 /nfs/dbraw/zinc/82/25/60/1066822560.db2.gz LWCYDOXVYJBJPA-OAHLLOKOSA-N 0 0 496.578 4.841 20 0 JJADRN CCCCOCCN(C(=O)c1cnc(-c2ccccn2)nc1)c1cccc(Br)c1 ZINC001457400148 1066822438 /nfs/dbraw/zinc/82/24/38/1066822438.db2.gz KHZRPBFMFDNBIW-UHFFFAOYSA-N 0 0 455.356 4.765 20 0 JJADRN COC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)n(-c2ccccc2)n1 ZINC001457398975 1066822509 /nfs/dbraw/zinc/82/25/09/1066822509.db2.gz NIMCATSRPUCONG-UHFFFAOYSA-N 0 0 454.458 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NCCCCC(=O)OCc3ccccc3)c2C1 ZINC001447565500 1066822563 /nfs/dbraw/zinc/82/25/63/1066822563.db2.gz WEVBUACTQADYAB-UHFFFAOYSA-N 0 0 452.551 4.581 20 0 JJADRN CCCCOCCN(C(=O)c1cn(-c2cccc(C)c2)nn1)c1cccc(Br)c1 ZINC001457400457 1066822989 /nfs/dbraw/zinc/82/29/89/1066822989.db2.gz LKWMMKUCCQOMAH-UHFFFAOYSA-N 0 0 457.372 4.802 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492680776 1066823228 /nfs/dbraw/zinc/82/32/28/1066823228.db2.gz ZHTQINTZVSVOCO-QGZVFWFLSA-N 0 0 476.691 4.762 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001492680950 1066823694 /nfs/dbraw/zinc/82/36/94/1066823694.db2.gz GMQNLFPQWZSKAJ-CVEARBPZSA-N 0 0 496.578 4.649 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC001457406869 1066823728 /nfs/dbraw/zinc/82/37/28/1066823728.db2.gz DJRFMBQYNCWVAE-UHFFFAOYSA-N 0 0 455.393 4.628 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545997749 1066823777 /nfs/dbraw/zinc/82/37/77/1066823777.db2.gz VGNABURVCIEFKS-DNVJHFABSA-N 0 0 483.657 4.628 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001457409530 1066824112 /nfs/dbraw/zinc/82/41/12/1066824112.db2.gz BVHYSYRNUUTZCQ-KRWDZBQOSA-N 0 0 459.587 4.960 20 0 JJADRN O=C(NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(COc2ccc(F)cc2)o1 ZINC001457408496 1066824187 /nfs/dbraw/zinc/82/41/87/1066824187.db2.gz AESZJVDTBAKBCB-FQEVSTJZSA-N 0 0 457.807 4.831 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N(Cc3cccc(C)n3)Cc3cccc(C)n3)CC2=O)cc1 ZINC001457410655 1066824695 /nfs/dbraw/zinc/82/46/95/1066824695.db2.gz SHESCMRKACDVIW-QHCPKHFHSA-N 0 0 456.590 4.628 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@H](CCO)c2ccccc2Br)cc1OC ZINC001447578783 1066824764 /nfs/dbraw/zinc/82/47/64/1066824764.db2.gz AMAUAIZHJJRYGC-QGZVFWFLSA-N 0 0 456.764 4.753 20 0 JJADRN O=C(c1cc2c(cc1O)OCO2)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447580104 1066824852 /nfs/dbraw/zinc/82/48/52/1066824852.db2.gz OVCYSCNNKOZIFO-FQEVSTJZSA-N 0 0 459.420 4.516 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccccc4C)C3)n2CC(F)(F)Br)cs1 ZINC001492683083 1066825379 /nfs/dbraw/zinc/82/53/79/1066825379.db2.gz OHQZSQGXVFBLJM-KRWDZBQOSA-N 0 0 498.397 4.508 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccccc4Br)C3)n2CC(C)C)cs1 ZINC001492682857 1066825471 /nfs/dbraw/zinc/82/54/71/1066825471.db2.gz JBLLBHVEZIWZCQ-IBGZPJMESA-N 0 0 476.444 4.630 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4ccccc4C)C3)n2CC(F)(F)Br)cs1 ZINC001492683084 1066825516 /nfs/dbraw/zinc/82/55/16/1066825516.db2.gz OHQZSQGXVFBLJM-QGZVFWFLSA-N 0 0 498.397 4.508 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545997997 1066826023 /nfs/dbraw/zinc/82/60/23/1066826023.db2.gz ZUWHHGXYVHYKFR-ACIOBRDBSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](c4cccc(Cl)c4)C3)n2CCC(C)(F)F)cs1 ZINC001492683507 1066826016 /nfs/dbraw/zinc/82/60/16/1066826016.db2.gz ZXJCLZLJMUEVEL-GOSISDBHSA-N 0 0 467.973 4.910 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C)Oc2ccccc2C)cs1 ZINC001492683674 1066826597 /nfs/dbraw/zinc/82/65/97/1066826597.db2.gz FHQLPBXIBFARID-RCCFBDPRSA-N 0 0 457.669 4.740 20 0 JJADRN CCN(C(=O)c1cc(Br)cc(Br)c1)[C@H](COC)Cc1ccccc1 ZINC001457418288 1066826591 /nfs/dbraw/zinc/82/65/91/1066826591.db2.gz WIBAMUHIJFWBEM-SFHVURJKSA-N 0 0 455.190 4.931 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cnc(F)c(Br)c2)c1-c1ccc(Br)cc1 ZINC001457417733 1066826606 /nfs/dbraw/zinc/82/66/06/1066826606.db2.gz QUJIURKGXCUWBL-UHFFFAOYSA-N 0 0 454.097 4.697 20 0 JJADRN Cc1[nH]nc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1-c1ccc(Br)cc1 ZINC001457416895 1066826769 /nfs/dbraw/zinc/82/67/69/1066826769.db2.gz KAWFIDHGDVTJLE-AWEZNQCLSA-N 0 0 455.356 4.744 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545997998 1066826799 /nfs/dbraw/zinc/82/67/99/1066826799.db2.gz ZUWHHGXYVHYKFR-AKIFATBCSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C(F)(F)F)CC[C@@H]3C)c2)c1 ZINC001447594394 1066827231 /nfs/dbraw/zinc/82/72/31/1066827231.db2.gz JHOPKXBKQHRMJD-DLBZAZTESA-N 0 0 454.514 4.907 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC001447600099 1066827320 /nfs/dbraw/zinc/82/73/20/1066827320.db2.gz AEFFNULDOOQRSK-OAQYLSRUSA-N 0 0 457.933 4.651 20 0 JJADRN COC(=O)C1(CNC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)CCCCC1 ZINC001447594858 1066827364 /nfs/dbraw/zinc/82/73/64/1066827364.db2.gz JWNDPLILNFPINB-UHFFFAOYSA-N 0 0 450.535 4.877 20 0 JJADRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@]3(C)CCO[C@@H]3C)cc2)c1C ZINC001447597522 1066827389 /nfs/dbraw/zinc/82/73/89/1066827389.db2.gz VYPKGTWHUARSNW-IQGLISFBSA-N 0 0 458.624 4.699 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C(F)(F)F)CC[C@H]3C)c2)c1 ZINC001447594411 1066827477 /nfs/dbraw/zinc/82/74/77/1066827477.db2.gz JHOPKXBKQHRMJD-SJORKVTESA-N 0 0 454.514 4.907 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1N ZINC001447607660 1066828056 /nfs/dbraw/zinc/82/80/56/1066828056.db2.gz MTLPJLBOKJSRIK-HXUWFJFHSA-N 0 0 459.377 4.651 20 0 JJADRN C[C@H](CC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC001457422371 1066828138 /nfs/dbraw/zinc/82/81/38/1066828138.db2.gz IUBQZRFDCKDOPS-GFCCVEGCSA-N 0 0 450.848 4.896 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2ccccc2NC(=O)OC(C)(C)C)cs1 ZINC001492684207 1066828605 /nfs/dbraw/zinc/82/86/05/1066828605.db2.gz TZFMXWMKUQMUTC-BEFAXECRSA-N 0 0 486.617 4.823 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001457422559 1066828763 /nfs/dbraw/zinc/82/87/63/1066828763.db2.gz NSJIJAJVFWHTMI-UHFFFAOYSA-N 0 0 451.836 4.565 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC001457425877 1066829150 /nfs/dbraw/zinc/82/91/50/1066829150.db2.gz RZAKTKRGHXFSTQ-UHFFFAOYSA-N 0 0 450.848 4.898 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1C ZINC001457425511 1066829165 /nfs/dbraw/zinc/82/91/65/1066829165.db2.gz CYLHTFZOIIQZDF-WOJBJXKFSA-N 0 0 458.624 4.543 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)CC[C@@H]3CCCCO3)CC2)Oc2ccccc21 ZINC001457424770 1066829220 /nfs/dbraw/zinc/82/92/20/1066829220.db2.gz CLLPGOCOFRNMGF-PZJWPPBQSA-N 0 0 458.599 4.745 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)CC[C@H]3CCCCO3)CC2)Oc2ccccc21 ZINC001457424773 1066829244 /nfs/dbraw/zinc/82/92/44/1066829244.db2.gz CLLPGOCOFRNMGF-TZIWHRDSSA-N 0 0 458.599 4.745 20 0 JJADRN C[C@@H](C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)N1CSCCSC1 ZINC001457425222 1066829260 /nfs/dbraw/zinc/82/92/60/1066829260.db2.gz XDVYJJYVTKPDLT-JTQLQIEISA-N 0 0 450.939 4.773 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)no1 ZINC001492685068 1066829171 /nfs/dbraw/zinc/82/91/71/1066829171.db2.gz BTGIEIIFGDVBJS-KRWDZBQOSA-N 0 0 473.419 4.904 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc1C ZINC001457425504 1066829268 /nfs/dbraw/zinc/82/92/68/1066829268.db2.gz CYLHTFZOIIQZDF-VQTJNVASSA-N 0 0 458.624 4.543 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)no1 ZINC001492685395 1066829555 /nfs/dbraw/zinc/82/95/55/1066829555.db2.gz GHQVRWFFJOUGOS-CQSZACIVSA-N 0 0 484.910 4.517 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC001457425961 1066829721 /nfs/dbraw/zinc/82/97/21/1066829721.db2.gz STNKHAVYPQRZCJ-UHFFFAOYSA-N 0 0 450.804 4.958 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC(C)(C)C(F)(F)F)C2)no1 ZINC001492684774 1066829601 /nfs/dbraw/zinc/82/96/01/1066829601.db2.gz JCIXSXGBBYBXPW-MRXNPFEDSA-N 0 0 480.510 4.747 20 0 JJADRN CC(C)c1nc([C@@H]2COCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)no1 ZINC001447619596 1066829719 /nfs/dbraw/zinc/82/97/19/1066829719.db2.gz UVUWWSIDERGUGI-ZDUSSCGKSA-N 0 0 453.351 4.837 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Oc1cccc(F)c1 ZINC001545997508 1066829803 /nfs/dbraw/zinc/82/98/03/1066829803.db2.gz QASFZNLTELOJIE-IEBWSBKVSA-N 0 0 471.543 4.546 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OCC(C)C)cc3)C2)no1 ZINC001492685349 1066829876 /nfs/dbraw/zinc/82/98/76/1066829876.db2.gz GEUPKYGYRJAKRH-NRFANRHFSA-N 0 0 466.630 4.809 20 0 JJADRN COc1cccc(/C(C)=C/C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)c1 ZINC001457428822 1066830302 /nfs/dbraw/zinc/83/03/02/1066830302.db2.gz OMTRQFCKERFWSV-RVDMUPIBSA-N 0 0 450.516 4.822 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001457427612 1066830353 /nfs/dbraw/zinc/83/03/53/1066830353.db2.gz CXBPCMNOKBAQJT-SNVBAGLBSA-N 0 0 457.246 4.616 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997581 1066830323 /nfs/dbraw/zinc/83/03/23/1066830323.db2.gz RQJBUTJNOIDVCC-RXVVDRJESA-N 0 0 459.610 4.938 20 0 JJADRN CCc1[nH]nc(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c1-c1cccs1 ZINC001457429789 1066830875 /nfs/dbraw/zinc/83/08/75/1066830875.db2.gz AFLBWBIQMUVZQM-UHFFFAOYSA-N 0 0 459.000 4.974 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001457430282 1066830904 /nfs/dbraw/zinc/83/09/04/1066830904.db2.gz XDICQCMVLBNKHU-ZDUSSCGKSA-N 0 0 451.441 4.959 20 0 JJADRN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC001447624206 1066830935 /nfs/dbraw/zinc/83/09/35/1066830935.db2.gz VOKYXFBTPQLVJA-QGZVFWFLSA-N 0 0 452.505 4.624 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCc3ccccc3OC(F)F)C2)no1 ZINC001492686067 1066830923 /nfs/dbraw/zinc/83/09/23/1066830923.db2.gz RZEUOFIRCGXLEM-KRWDZBQOSA-N 0 0 474.556 4.570 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001447630493 1066831966 /nfs/dbraw/zinc/83/19/66/1066831966.db2.gz DQRCQIRLHSKXLB-NRFANRHFSA-N 0 0 459.420 4.904 20 0 JJADRN Cc1c(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC001447630350 1066832072 /nfs/dbraw/zinc/83/20/72/1066832072.db2.gz OVGQIPQUHGOSRR-UHFFFAOYSA-N 0 0 455.555 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1Sc1ccccc1)CCO2 ZINC001457442532 1066832472 /nfs/dbraw/zinc/83/24/72/1066832472.db2.gz FMNMDQVDLJAXJQ-VWLOTQADSA-N 0 0 454.592 4.690 20 0 JJADRN CS[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl)C(C)(C)C ZINC001447632078 1066832670 /nfs/dbraw/zinc/83/26/70/1066832670.db2.gz IFMRACLSOQDANP-IBGZPJMESA-N 0 0 455.045 4.957 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)c3cccc(NS(=O)(=O)c4ccc(C)c(F)c4)c3)C2)cc1 ZINC001447631891 1066832693 /nfs/dbraw/zinc/83/26/93/1066832693.db2.gz LFGIBQRZZNLGAV-NRFANRHFSA-N 0 0 452.551 4.873 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)c3cc(Br)c4nccnc4c3)c(Cl)c2)n1 ZINC001447633183 1066832985 /nfs/dbraw/zinc/83/29/85/1066832985.db2.gz LCJMVNMJUASWTD-UHFFFAOYSA-N 0 0 458.703 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC001447635156 1066833749 /nfs/dbraw/zinc/83/37/49/1066833749.db2.gz TZIJZHYZYYKTNY-IPELMVKDSA-N 0 0 456.505 4.689 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001447636957 1066833850 /nfs/dbraw/zinc/83/38/50/1066833850.db2.gz YYMUIGUPAAXYLR-BHIYHBOVSA-N 0 0 456.505 4.689 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N2CCSC[C@@H]2C)cs1 ZINC001492687809 1066833907 /nfs/dbraw/zinc/83/39/07/1066833907.db2.gz RDLAPCBBMDOSDA-NSHDSACASA-N 0 0 470.487 4.718 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@H](C)CC2)n[nH]1 ZINC001492688209 1066834527 /nfs/dbraw/zinc/83/45/27/1066834527.db2.gz HJABIORBIVILSQ-LJQANCHMSA-N 0 0 451.619 4.666 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C(C)(C)C)C2)cs1 ZINC001492688018 1066834581 /nfs/dbraw/zinc/83/45/81/1066834581.db2.gz ZWUHRKXSMBZURH-CQSZACIVSA-N 0 0 463.449 4.916 20 0 JJADRN Cc1cnc([C@H](C)NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)s1 ZINC001457459373 1066834796 /nfs/dbraw/zinc/83/47/96/1066834796.db2.gz DXDVGGDEENGSCP-QMMMGPOBSA-N 0 0 450.273 4.849 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)c(Cl)c1 ZINC001457459378 1066834836 /nfs/dbraw/zinc/83/48/36/1066834836.db2.gz DZMGRQGSHMKBRX-UHFFFAOYSA-N 0 0 450.929 4.782 20 0 JJADRN O=C(c1csc(-c2ccc(Cl)cc2)n1)N(CCO)Cc1cc(Br)cs1 ZINC001447648318 1066834960 /nfs/dbraw/zinc/83/49/60/1066834960.db2.gz FNEDKGWVPLPGGG-UHFFFAOYSA-N 0 0 457.802 4.922 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCOC(C)(C)C2)cs1 ZINC001492688896 1066835038 /nfs/dbraw/zinc/83/50/38/1066835038.db2.gz VAHRWXYTWQKUON-UHFFFAOYSA-N 0 0 469.655 4.993 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccoc2)cs1 ZINC001492688537 1066835135 /nfs/dbraw/zinc/83/51/35/1066835135.db2.gz FICFPHWNORJUPU-LJQANCHMSA-N 0 0 486.642 4.630 20 0 JJADRN CN(C)c1cc(Br)cc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC001457460451 1066835190 /nfs/dbraw/zinc/83/51/90/1066835190.db2.gz KHISRBCHWWMHIV-UHFFFAOYSA-N 0 0 451.311 4.528 20 0 JJADRN COc1ccc(CCCC(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1OC ZINC001457459835 1066835236 /nfs/dbraw/zinc/83/52/36/1066835236.db2.gz IMJCOTKYSUPZOH-UHFFFAOYSA-N 0 0 458.511 4.741 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001457460206 1066835262 /nfs/dbraw/zinc/83/52/62/1066835262.db2.gz BUPKCUUKYWZRMG-UHFFFAOYSA-N 0 0 455.386 4.802 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)Nc2nc(CN3CCCCCC3)cs2)c(Br)c1 ZINC001457460790 1066835700 /nfs/dbraw/zinc/83/57/00/1066835700.db2.gz QNRSKFVZGMTZDG-HNNXBMFYSA-N 0 0 452.418 4.996 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001457461101 1066835869 /nfs/dbraw/zinc/83/58/69/1066835869.db2.gz DKZXKMMCZKLDNP-UHFFFAOYSA-N 0 0 456.583 4.654 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545999168 1066836001 /nfs/dbraw/zinc/83/60/01/1066836001.db2.gz JBLNOBLIUMMTHB-LEWJYISDSA-N 0 0 471.646 4.663 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001457467059 1066836772 /nfs/dbraw/zinc/83/67/72/1066836772.db2.gz DESMMJKDECIQCP-NQIIRXRSSA-N 0 0 472.314 4.674 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC001447655577 1066837472 /nfs/dbraw/zinc/83/74/72/1066837472.db2.gz VFBOMSARNDZAIV-QHCPKHFHSA-N 0 0 455.352 4.711 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1NC(=O)c1ccccc1F ZINC001457469613 1066837416 /nfs/dbraw/zinc/83/74/16/1066837416.db2.gz AYUGRIRTQNVFBN-HYJWCJBQSA-N 0 0 452.551 4.957 20 0 JJADRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001457470405 1066837967 /nfs/dbraw/zinc/83/79/67/1066837967.db2.gz CYRKOIYGBOZFLM-WEZXKFLESA-N 0 0 451.636 4.746 20 0 JJADRN CC[C@@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Oc1cccc(C(F)(F)F)c1 ZINC001457471358 1066838428 /nfs/dbraw/zinc/83/84/28/1066838428.db2.gz YPORTSJSBKPGDQ-YCRPNKLZSA-N 0 0 450.482 4.608 20 0 JJADRN CC[C@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Oc1cccc(C(F)(F)F)c1 ZINC001457471354 1066838569 /nfs/dbraw/zinc/83/85/69/1066838569.db2.gz YPORTSJSBKPGDQ-VFNWGFHPSA-N 0 0 450.482 4.608 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(=O)c3ccc(F)cc3o2)c2cc(F)ccc2OC)c1 ZINC001457471452 1066838586 /nfs/dbraw/zinc/83/85/86/1066838586.db2.gz FWFFZKGHLBVXMI-XMMPIXPASA-N 0 0 451.425 4.608 20 0 JJADRN CCc1c(NC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)cnn1CCC(C)C ZINC001447661816 1066838629 /nfs/dbraw/zinc/83/86/29/1066838629.db2.gz HLUWHGJNGNPNLQ-JOCHJYFZSA-N 0 0 456.587 4.801 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(C(C)C)n3CCc3ccc(Br)s3)CC2)cs1 ZINC001492692879 1066838723 /nfs/dbraw/zinc/83/87/23/1066838723.db2.gz JOSFJJBBGZNFLQ-UHFFFAOYSA-N 0 0 495.516 4.555 20 0 JJADRN Cc1noc([C@@H](OC(=O)c2cnn(-c3cccc(Br)c3)c2C)c2ccccc2)n1 ZINC001457473457 1066839175 /nfs/dbraw/zinc/83/91/75/1066839175.db2.gz BRGWILCGVVPLAW-IBGZPJMESA-N 0 0 453.296 4.581 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545998786 1066839196 /nfs/dbraw/zinc/83/91/96/1066839196.db2.gz BDWNRPQSFPAZMI-CEWLAPEOSA-N 0 0 489.636 4.563 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)nc1C(C)(C)C ZINC001457476111 1066839498 /nfs/dbraw/zinc/83/94/98/1066839498.db2.gz JMFBUGXJWKWGHE-VIFPVBQESA-N 0 0 459.337 4.535 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@H]2C(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC001457476731 1066839534 /nfs/dbraw/zinc/83/95/34/1066839534.db2.gz KZIJUUWYXISGDN-CNXOFUGBSA-N 0 0 456.627 4.900 20 0 JJADRN COc1cc(N)c(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)cc1Br ZINC001447666173 1066839960 /nfs/dbraw/zinc/83/99/60/1066839960.db2.gz STZBSLKXJGMOBK-UHFFFAOYSA-N 0 0 455.352 4.857 20 0 JJADRN CC[C@H](CNC(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)Oc1cccc(C(F)(F)F)c1 ZINC001457478530 1066840169 /nfs/dbraw/zinc/84/01/69/1066840169.db2.gz SFHRKKXRXKMJOB-KBAYOESNSA-N 0 0 459.505 4.506 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)cs1 ZINC001492694755 1066840398 /nfs/dbraw/zinc/84/03/98/1066840398.db2.gz RYZICBFMPSKRDT-QGZVFWFLSA-N 0 0 476.697 4.518 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCCO)cs1 ZINC001492694875 1066840520 /nfs/dbraw/zinc/84/05/20/1066840520.db2.gz MGAXSGFSLWDSFK-JOCHJYFZSA-N 0 0 469.655 4.748 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)C2=O)c1 ZINC001457482461 1066840687 /nfs/dbraw/zinc/84/06/87/1066840687.db2.gz XEQVMJZOECXGJJ-VXNXHJTFSA-N 0 0 450.579 4.535 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492695099 1066841023 /nfs/dbraw/zinc/84/10/23/1066841023.db2.gz ZQKDXEOAAMVTMK-PZJWPPBQSA-N 0 0 495.672 4.574 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)c2nccs2)s1 ZINC001492695074 1066841067 /nfs/dbraw/zinc/84/10/67/1066841067.db2.gz ZBKMRDMTRKMIPL-INIZCTEOSA-N 0 0 481.651 4.809 20 0 JJADRN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(Sc3ccc(Cl)cc3)c1)C2=O ZINC001457487909 1066841257 /nfs/dbraw/zinc/84/12/57/1066841257.db2.gz FVJPDMWHBNYZJK-UHFFFAOYSA-N 0 0 457.983 4.930 20 0 JJADRN Cc1cnc(C2CCN(C(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3O)CC2)s1 ZINC001447688520 1066841625 /nfs/dbraw/zinc/84/16/25/1066841625.db2.gz ASYBUKTUQZCVIA-UHFFFAOYSA-N 0 0 457.502 4.707 20 0 JJADRN C[C@H]1Sc2ccccc2N(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)[C@H]1C ZINC001457489769 1066841773 /nfs/dbraw/zinc/84/17/73/1066841773.db2.gz AMNCDSJBYSHMPY-LSDHHAIUSA-N 0 0 458.630 4.672 20 0 JJADRN CN1CCN(C(=O)Cc2cccc(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001457490686 1066841902 /nfs/dbraw/zinc/84/19/02/1066841902.db2.gz PJSCPBFRXMAXCR-UHFFFAOYSA-N 0 0 455.602 4.586 20 0 JJADRN CCCc1c(NC(=O)c2cc3c([nH]2)c(OC)c(OC)cc3OC)cnn1-c1ccc(F)cc1 ZINC001447689600 1066842060 /nfs/dbraw/zinc/84/20/60/1066842060.db2.gz CWCFGOCHZBWMDN-UHFFFAOYSA-N 0 0 452.486 4.723 20 0 JJADRN CC(C)n1ncc(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1I ZINC001457491661 1066842315 /nfs/dbraw/zinc/84/23/15/1066842315.db2.gz FJLBGMWVYNPLJA-OLZOCXBDSA-N 0 0 459.759 4.986 20 0 JJADRN COc1cc(Cl)c(Br)cc1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC001457495215 1066842866 /nfs/dbraw/zinc/84/28/66/1066842866.db2.gz IUSRTYWJZKNSKD-LLVKDONJSA-N 0 0 450.720 4.576 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1)O[C@@H](C)C2 ZINC001457495006 1066842890 /nfs/dbraw/zinc/84/28/90/1066842890.db2.gz XGAOJKAPLSWKHM-NOLJZWGESA-N 0 0 458.580 4.692 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cccc(Br)c3)n2Cc2ncccc2C)s1 ZINC001492695859 1066843419 /nfs/dbraw/zinc/84/34/19/1066843419.db2.gz CBRUJEOJOOHAQQ-UHFFFAOYSA-N 0 0 469.412 4.861 20 0 JJADRN Cc1nc(-c2ccc(C(=O)NC[C@@H](CO)Cc3ccccc3Br)s2)cs1 ZINC001447697018 1066843930 /nfs/dbraw/zinc/84/39/30/1066843930.db2.gz KZLKTQGOWZHNKI-ZDUSSCGKSA-N 0 0 451.411 4.524 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC(F)(F)CO2)s1 ZINC001492695951 1066844566 /nfs/dbraw/zinc/84/45/66/1066844566.db2.gz RKHGVYIZUBHHIH-HNNXBMFYSA-N 0 0 498.397 4.842 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545999496 1066845057 /nfs/dbraw/zinc/84/50/57/1066845057.db2.gz OWKYPAIBHXLYAH-MJGOQNOKSA-N 0 0 477.030 4.595 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)s1 ZINC001492696087 1066845283 /nfs/dbraw/zinc/84/52/83/1066845283.db2.gz GZHPHILWRFKAAY-INIZCTEOSA-N 0 0 452.559 4.596 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC=CCO2)s1 ZINC001492696105 1066845382 /nfs/dbraw/zinc/84/53/82/1066845382.db2.gz HHUFKXVENNJKMW-BEFAXECRSA-N 0 0 460.003 4.818 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001447715169 1066845753 /nfs/dbraw/zinc/84/57/53/1066845753.db2.gz VESMWVFMZAQSMG-QFIPXVFZSA-N 0 0 451.951 4.524 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)c(=O)oc2c1 ZINC001457506886 1066846064 /nfs/dbraw/zinc/84/60/64/1066846064.db2.gz ZPTATEIHDLBIID-UHFFFAOYSA-N 0 0 454.596 4.580 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cn1 ZINC001447715535 1066846259 /nfs/dbraw/zinc/84/62/59/1066846259.db2.gz GOOJNVODNQQBPW-LJQANCHMSA-N 0 0 453.411 4.576 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)CN(Cc2cccnc2)c2ccccc2)c1 ZINC001447716198 1066846594 /nfs/dbraw/zinc/84/65/94/1066846594.db2.gz HFTOFTZNAPAHCA-UHFFFAOYSA-N 0 0 454.368 4.518 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC001447718359 1066847088 /nfs/dbraw/zinc/84/70/88/1066847088.db2.gz LWTXCRLLLJKJGC-HXUWFJFHSA-N 0 0 451.876 4.951 20 0 JJADRN CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)sc2c1 ZINC001457511398 1066847133 /nfs/dbraw/zinc/84/71/33/1066847133.db2.gz ASZYAPXXDUGGAP-UHFFFAOYSA-N 0 0 459.369 4.870 20 0 JJADRN C[C@@H](NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457509886 1066847141 /nfs/dbraw/zinc/84/71/41/1066847141.db2.gz NKZLGFQQMAJCQG-VOIUYBSRSA-N 0 0 452.942 4.510 20 0 JJADRN O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CCCSc2ccc(Cl)cc21 ZINC001457513415 1066847174 /nfs/dbraw/zinc/84/71/74/1066847174.db2.gz SMMQBWLAMLSWPJ-UHFFFAOYSA-N 0 0 457.404 4.676 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccnc2)C(C)C)s1 ZINC001492696524 1066847132 /nfs/dbraw/zinc/84/71/32/1066847132.db2.gz PAZHPPZUCLQRET-RCZVLFRGSA-N 0 0 484.670 4.555 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001545999704 1066847695 /nfs/dbraw/zinc/84/76/95/1066847695.db2.gz SOKTVSXTQFOZSF-NRFANRHFSA-N 0 0 476.625 4.515 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1N(C)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001457513474 1066847763 /nfs/dbraw/zinc/84/77/63/1066847763.db2.gz SXLBOWOJRAHAMI-UHFFFAOYSA-N 0 0 452.595 4.587 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001457514189 1066847805 /nfs/dbraw/zinc/84/78/05/1066847805.db2.gz CLLOHBAJNKVBCK-UHFFFAOYSA-N 0 0 457.983 4.529 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)c(C)c2)s1 ZINC001492696683 1066847818 /nfs/dbraw/zinc/84/78/18/1066847818.db2.gz UQEDXDKZERQXSD-UHFFFAOYSA-N 0 0 489.418 4.943 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2OCCC2(C)C)s1 ZINC001492696870 1066848348 /nfs/dbraw/zinc/84/83/48/1066848348.db2.gz ZSJPFDUPQKGOPJ-FOIQADDNSA-N 0 0 459.591 4.774 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CCc2ccc(Br)s2)s1 ZINC001492697115 1066848832 /nfs/dbraw/zinc/84/88/32/1066848832.db2.gz INFBDOHWQSURJX-MRXNPFEDSA-N 0 0 482.473 4.988 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)cc2C(F)(F)F)s1 ZINC001492697136 1066848886 /nfs/dbraw/zinc/84/88/86/1066848886.db2.gz JLJWEXQOYAIAIV-UHFFFAOYSA-N 0 0 450.465 4.881 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCC(F)(F)F)s1 ZINC001492696959 1066848904 /nfs/dbraw/zinc/84/89/04/1066848904.db2.gz CHGYBKKTIDZUNB-IBGZPJMESA-N 0 0 481.544 4.910 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3c[nH]c4ccccc34)n2CC(F)(F)Br)s1 ZINC001492697279 1066848942 /nfs/dbraw/zinc/84/89/42/1066848942.db2.gz NVDXACQWLHOJOG-UHFFFAOYSA-N 0 0 467.343 4.815 20 0 JJADRN COc1cccc(CCC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1OC ZINC001457517320 1066849044 /nfs/dbraw/zinc/84/90/44/1066849044.db2.gz KMMMWWPJHYUAJO-UHFFFAOYSA-N 0 0 458.967 4.920 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)s1 ZINC001492697846 1066849483 /nfs/dbraw/zinc/84/94/83/1066849483.db2.gz GDIFQBMPDDTYMK-UHFFFAOYSA-N 0 0 458.598 4.542 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001457517524 1066849522 /nfs/dbraw/zinc/84/95/22/1066849522.db2.gz KBHROAAABVNNFW-QFIPXVFZSA-N 0 0 451.325 4.629 20 0 JJADRN CCOc1ccc(Br)c(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1F ZINC001457517997 1066849582 /nfs/dbraw/zinc/84/95/82/1066849582.db2.gz XVZDZFVFFXGZCE-UHFFFAOYSA-N 0 0 452.305 4.807 20 0 JJADRN O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001457517517 1066849620 /nfs/dbraw/zinc/84/96/20/1066849620.db2.gz JZRGPXCQYGZLSV-UHFFFAOYSA-N 0 0 453.316 4.709 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC001447739098 1066850156 /nfs/dbraw/zinc/85/01/56/1066850156.db2.gz WGYHQPSKZCSGPE-BWKNWUBXSA-N 0 0 456.558 4.824 20 0 JJADRN Cc1cccc(C[C@H](CO)NC(=O)c2ccc(COc3ccccc3Br)cc2)c1 ZINC001447739151 1066850201 /nfs/dbraw/zinc/85/02/01/1066850201.db2.gz FYVBKEWVPJPAMG-OAQYLSRUSA-N 0 0 454.364 4.670 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc32)C[C@@H](C)S1=O ZINC001447737674 1066850218 /nfs/dbraw/zinc/85/02/18/1066850218.db2.gz TVLQPQZNIMPADW-HUUCEWRRSA-N 0 0 457.393 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC001447739605 1066850225 /nfs/dbraw/zinc/85/02/25/1066850225.db2.gz CSBLJGCOPPYAGU-UHFFFAOYSA-N 0 0 455.624 4.992 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC001447741899 1066850762 /nfs/dbraw/zinc/85/07/62/1066850762.db2.gz JIFGQCHGFUETRT-GOSISDBHSA-N 0 0 452.636 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ncsc3Nc3cccnc3)C2)CC1 ZINC001447740447 1066850868 /nfs/dbraw/zinc/85/08/68/1066850868.db2.gz FJEOHCRKIGAGSR-UHFFFAOYSA-N 0 0 457.600 4.535 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001546000001 1066850912 /nfs/dbraw/zinc/85/09/12/1066850912.db2.gz YPSIDMLSXFBVKW-QHAWAJNXSA-N 0 0 468.646 4.584 20 0 JJADRN Cc1nc2cc(C(=O)Nc3ccc(Cl)c(C(=O)NCc4cccs4)c3)ccc2c(=O)[nH]1 ZINC001457520924 1066850941 /nfs/dbraw/zinc/85/09/41/1066850941.db2.gz SQGIEUUDZUQXHX-UHFFFAOYSA-N 0 0 452.923 4.541 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001492698576 1066851604 /nfs/dbraw/zinc/85/16/04/1066851604.db2.gz CFXXXRRSLFAFQP-INIZCTEOSA-N 0 0 462.664 4.668 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)s2)cc1 ZINC001457523139 1066851678 /nfs/dbraw/zinc/85/16/78/1066851678.db2.gz ZKQBSDMRKQFCBE-QGZVFWFLSA-N 0 0 452.601 4.815 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccccn3)n2CCOc2ccc(F)c(Cl)c2)s1 ZINC001492698503 1066851845 /nfs/dbraw/zinc/85/18/45/1066851845.db2.gz ZMPPLCPCUOPKDZ-UHFFFAOYSA-N 0 0 472.977 4.537 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1C(C)C)NC(=O)OC(C)(C)C ZINC001546000033 1066852183 /nfs/dbraw/zinc/85/21/83/1066852183.db2.gz YZVOBMXWPDRZMD-SFTDATJTSA-N 0 0 471.646 4.806 20 0 JJADRN CCCCOc1ccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1Cl ZINC001447749313 1066852274 /nfs/dbraw/zinc/85/22/74/1066852274.db2.gz DBMWQAOQYCHNJQ-UHFFFAOYSA-N 0 0 454.958 4.634 20 0 JJADRN CC(C)[C@H]1CN(C(=O)C/C=C\c2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C ZINC001447750845 1066852320 /nfs/dbraw/zinc/85/23/20/1066852320.db2.gz AQIOXZFZPWVXRK-LIXSYLKWSA-N 0 0 451.405 4.956 20 0 JJADRN CN(CCCCO)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001447752858 1066852834 /nfs/dbraw/zinc/85/28/34/1066852834.db2.gz NRLUTFSZLPKTNO-UHFFFAOYSA-N 0 0 452.624 4.555 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2=CCCOC2)s1 ZINC001492698787 1066852955 /nfs/dbraw/zinc/85/29/55/1066852955.db2.gz LUPSWJHJKCNNOK-UHFFFAOYSA-N 0 0 467.639 4.903 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCOC2)s1 ZINC001492698893 1066853458 /nfs/dbraw/zinc/85/34/58/1066853458.db2.gz PRBIZYZGYFAQBT-SFHVURJKSA-N 0 0 476.046 4.689 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)NCCc3c(F)cccc3Cl)[nH]c(=O)c2c1C ZINC001457531825 1066853621 /nfs/dbraw/zinc/85/36/21/1066853621.db2.gz BZUJYIUOPITEQD-LBPRGKRZSA-N 0 0 453.992 4.787 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001492699057 1066853531 /nfs/dbraw/zinc/85/35/31/1066853531.db2.gz WJLCEHLWCGNXQL-GOSISDBHSA-N 0 0 484.670 4.720 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H](C)C2)s1 ZINC001492698975 1066853675 /nfs/dbraw/zinc/85/36/75/1066853675.db2.gz SPLZBTKIVLFJFN-AZUAARDMSA-N 0 0 455.628 4.690 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCSC2)s1 ZINC001492698888 1066853690 /nfs/dbraw/zinc/85/36/90/1066853690.db2.gz PQFLXJHFLQAFNU-WMZOPIPTSA-N 0 0 478.688 4.505 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)s1 ZINC001492698991 1066853711 /nfs/dbraw/zinc/85/37/11/1066853711.db2.gz SZEAUKFYKKGTPU-OAQYLSRUSA-N 0 0 464.060 4.786 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2csc(-c3c(F)cccc3F)n2)CCN1C(=O)OC(C)(C)C ZINC001447753963 1066853569 /nfs/dbraw/zinc/85/35/69/1066853569.db2.gz HDJGNJZIMWIIBG-QGZVFWFLSA-N 0 0 451.539 4.806 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1 ZINC001447761350 1066855043 /nfs/dbraw/zinc/85/50/43/1066855043.db2.gz IQZAEZWVQGSJAL-HNAYVOBHSA-N 0 0 456.340 4.939 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001457538352 1066854962 /nfs/dbraw/zinc/85/49/62/1066854962.db2.gz YPBKXKNLYMSWCO-LJQANCHMSA-N 0 0 457.412 4.686 20 0 JJADRN Cc1ncc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492699982 1066855612 /nfs/dbraw/zinc/85/56/12/1066855612.db2.gz ZLHXDXCPXXBIPX-RDJZCZTQSA-N 0 0 462.019 4.748 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492699981 1066855622 /nfs/dbraw/zinc/85/56/22/1066855622.db2.gz ZLHXDXCPXXBIPX-NVXWUHKLSA-N 0 0 462.019 4.748 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001447765026 1066855714 /nfs/dbraw/zinc/85/57/14/1066855714.db2.gz VHPWRCXXFYHXJT-CQSZACIVSA-N 0 0 455.393 4.672 20 0 JJADRN Cc1sc(Cl)nc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001447764012 1066855724 /nfs/dbraw/zinc/85/57/24/1066855724.db2.gz SQRNFHIOPCNBCD-LBPRGKRZSA-N 0 0 453.749 4.895 20 0 JJADRN Cc1c(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cccc1C(F)(F)F ZINC001457540140 1066855975 /nfs/dbraw/zinc/85/59/75/1066855975.db2.gz RWEMMUGBSNLIER-UHFFFAOYSA-N 0 0 454.495 4.722 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492700402 1066856178 /nfs/dbraw/zinc/85/61/78/1066856178.db2.gz LEDYTYIWGJCPPG-UHFFFAOYSA-N 0 0 468.627 4.594 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)s1 ZINC001492700266 1066856191 /nfs/dbraw/zinc/85/61/91/1066856191.db2.gz KBPWEGJUQLHAPK-UHFFFAOYSA-N 0 0 454.344 4.675 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NCc3ccc(C)nc3-n3cc(Cl)cn3)c2)n1 ZINC001447783321 1066856324 /nfs/dbraw/zinc/85/63/24/1066856324.db2.gz MXWIPZVOSMWWGP-UHFFFAOYSA-N 0 0 452.971 4.536 20 0 JJADRN O=C(c1cc(Br)sc1Br)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001447785055 1066856413 /nfs/dbraw/zinc/85/64/13/1066856413.db2.gz JDNPZNKMLKJMLQ-UHFFFAOYSA-N 0 0 451.130 4.866 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492700779 1066856642 /nfs/dbraw/zinc/85/66/42/1066856642.db2.gz SJGYATVGXKZQEP-GOSISDBHSA-N 0 0 476.444 4.772 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492700657 1066856785 /nfs/dbraw/zinc/85/67/85/1066856785.db2.gz PTBPSRVKBLQSPK-QWRGUYRKSA-N 0 0 470.487 4.913 20 0 JJADRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1cnc(Cc2ccccc2F)s1 ZINC001447786775 1066857037 /nfs/dbraw/zinc/85/70/37/1066857037.db2.gz OUZVHTVUEVMCKX-UHFFFAOYSA-N 0 0 453.539 4.893 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c(O)c3)s2)cc1 ZINC001447785831 1066857098 /nfs/dbraw/zinc/85/70/98/1066857098.db2.gz LISKEVGDPACXOO-UHFFFAOYSA-N 0 0 451.548 4.839 20 0 JJADRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457545111 1066857116 /nfs/dbraw/zinc/85/71/16/1066857116.db2.gz QWFKZLIAQXLUFY-XDAJTCOGSA-N 0 0 458.602 4.917 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492701117 1066857823 /nfs/dbraw/zinc/85/78/23/1066857823.db2.gz WTGDFTJXYIYFFT-GHMZBOCLSA-N 0 0 470.487 4.913 20 0 JJADRN C[C@@H]1CCc2ccccc2N1CCNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001457546566 1066857881 /nfs/dbraw/zinc/85/78/81/1066857881.db2.gz BPVSIJLNLKLIPP-JOCHJYFZSA-N 0 0 455.602 4.630 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CCC(N)=O)CC2)s1 ZINC001492701136 1066857988 /nfs/dbraw/zinc/85/79/88/1066857988.db2.gz XIQMIPLSLYHCKK-UHFFFAOYSA-N 0 0 479.437 4.547 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492701506 1066858430 /nfs/dbraw/zinc/85/84/30/1066858430.db2.gz WSRZZJPKKGHJNZ-WMZOPIPTSA-N 0 0 486.642 4.996 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCCOC(C)C)CC2)s1 ZINC001492701658 1066858468 /nfs/dbraw/zinc/85/84/68/1066858468.db2.gz BRFHYGCTTMFFTO-UHFFFAOYSA-N 0 0 489.089 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc(F)c(Cl)c(N)c3Cl)cc2C1 ZINC001447792879 1066859048 /nfs/dbraw/zinc/85/90/48/1066859048.db2.gz XNCRZWBPSSQNEV-UHFFFAOYSA-N 0 0 454.329 4.895 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)CC2)s1 ZINC001492701765 1066859313 /nfs/dbraw/zinc/85/93/13/1066859313.db2.gz FWYCFIZUMWUCLA-UHFFFAOYSA-N 0 0 493.052 4.640 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCOc2ccccc2)s1 ZINC001492701858 1066859330 /nfs/dbraw/zinc/85/93/30/1066859330.db2.gz JLPSQZQSSZEWPK-NHCUHLMSSA-N 0 0 455.628 4.525 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ccccc3)CC2)s1 ZINC001492701905 1066859397 /nfs/dbraw/zinc/85/93/97/1066859397.db2.gz KQWRRLQBQVICJG-IBGZPJMESA-N 0 0 452.672 4.758 20 0 JJADRN COc1cc(N)c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1Br ZINC001447794729 1066859625 /nfs/dbraw/zinc/85/96/25/1066859625.db2.gz PUBHUSZUCSQARR-LJQANCHMSA-N 0 0 455.356 4.797 20 0 JJADRN CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C1 ZINC001447794515 1066859711 /nfs/dbraw/zinc/85/97/11/1066859711.db2.gz UBZMIFTUVYHLIT-NRFANRHFSA-N 0 0 455.908 4.978 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCCc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457554401 1066859790 /nfs/dbraw/zinc/85/97/90/1066859790.db2.gz YZWCIMNWTLVBKU-BTYIYWSLSA-N 0 0 455.332 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nc(-c3sccc3Br)cs2)C1 ZINC001457553041 1066859885 /nfs/dbraw/zinc/85/98/85/1066859885.db2.gz IQKVJLQQNPTQFP-UHFFFAOYSA-N 0 0 458.403 4.830 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCCc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457554409 1066859948 /nfs/dbraw/zinc/85/99/48/1066859948.db2.gz YZWCIMNWTLVBKU-YCRPNKLZSA-N 0 0 455.332 4.929 20 0 JJADRN Cc1ncc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2C(F)(F)F)s1 ZINC001492702248 1066859859 /nfs/dbraw/zinc/85/98/59/1066859859.db2.gz AZZSLBPRKPHQRP-UHFFFAOYSA-N 0 0 458.513 4.732 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(-c4ccc(C)c(Br)c4)n3CC(C)C)CC2)s1 ZINC001492702063 1066859931 /nfs/dbraw/zinc/85/99/31/1066859931.db2.gz QNBGUBIVKYHBMB-UHFFFAOYSA-N 0 0 489.487 4.759 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cn3)CC2)c2ccccc12 ZINC001447795612 1066860354 /nfs/dbraw/zinc/86/03/54/1066860354.db2.gz INGOBWLKXKRBNC-INIZCTEOSA-N 0 0 451.954 4.626 20 0 JJADRN COC(=O)[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC001447797804 1066860373 /nfs/dbraw/zinc/86/03/73/1066860373.db2.gz KSDLURBMQPJQAQ-AVRDEDQJSA-N 0 0 458.514 4.755 20 0 JJADRN Cc1ncc(Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492702519 1066860660 /nfs/dbraw/zinc/86/06/60/1066860660.db2.gz HJYQNBBSWDVPSN-OAQYLSRUSA-N 0 0 496.681 4.570 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)c1ocnc1-c1ccccc1 ZINC001447799336 1066860863 /nfs/dbraw/zinc/86/08/63/1066860863.db2.gz CJGONOUPRGTTPY-UHFFFAOYSA-N 0 0 459.340 4.526 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2csc(Br)c2)s1 ZINC001492702936 1066861209 /nfs/dbraw/zinc/86/12/09/1066861209.db2.gz WXMDVCSUWIFQCW-UHFFFAOYSA-N 0 0 475.441 4.538 20 0 JJADRN COC(=O)c1csc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC001457560016 1066861269 /nfs/dbraw/zinc/86/12/69/1066861269.db2.gz CATFLYNXNVYWPD-SFHLNBCPSA-N 0 0 456.608 4.663 20 0 JJADRN COc1ccc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)c(Br)c3)ccc2c1 ZINC001447801299 1066861361 /nfs/dbraw/zinc/86/13/61/1066861361.db2.gz HQRGMODFXDSUNH-UHFFFAOYSA-N 0 0 454.368 4.615 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NOCc1ccc(F)cc1Br ZINC001447800629 1066861441 /nfs/dbraw/zinc/86/14/41/1066861441.db2.gz GJLOHNPFLXFBOX-CRAIPNDOSA-N 0 0 457.137 4.876 20 0 JJADRN Cc1nccc(N2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CC2)n1 ZINC001492703400 1066861767 /nfs/dbraw/zinc/86/17/67/1066861767.db2.gz OUCBAEUQASCVFE-LJQANCHMSA-N 0 0 481.620 4.809 20 0 JJADRN COc1ncnc(N(C)C)c1NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC001457562971 1066862069 /nfs/dbraw/zinc/86/20/69/1066862069.db2.gz OUBCRUJVOZMELD-UHFFFAOYSA-N 0 0 457.490 4.783 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)ccc21 ZINC001447802617 1066862128 /nfs/dbraw/zinc/86/21/28/1066862128.db2.gz ODGYNPQXMSLGDO-HTAPYJJXSA-N 0 0 456.505 4.588 20 0 JJADRN COc1cc(Cl)cc(C(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)c1 ZINC001447802805 1066862214 /nfs/dbraw/zinc/86/22/14/1066862214.db2.gz NIWUNMKDJIOYJP-UHFFFAOYSA-N 0 0 456.764 4.533 20 0 JJADRN Cc1cccc(Cl)c1CC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC001447802229 1066862262 /nfs/dbraw/zinc/86/22/62/1066862262.db2.gz LTVHYBUPFORUKC-UHFFFAOYSA-N 0 0 454.792 4.762 20 0 JJADRN O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564256 1066862567 /nfs/dbraw/zinc/86/25/67/1066862567.db2.gz ZEXWFPFNZQJYLY-IBGZPJMESA-N 0 0 457.393 4.746 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001457564134 1066862647 /nfs/dbraw/zinc/86/26/47/1066862647.db2.gz KARNSMZGAPNGAB-IRXDYDNUSA-N 0 0 450.501 4.981 20 0 JJADRN CSc1nc(C)c(CCC(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(C)n1 ZINC001457563733 1066862766 /nfs/dbraw/zinc/86/27/66/1066862766.db2.gz AHVCCLLZLZRYCY-HNNXBMFYSA-N 0 0 458.628 4.650 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492704383 1066863149 /nfs/dbraw/zinc/86/31/49/1066863149.db2.gz AMTCQJMYSNLEDL-PKTZIBPZSA-N 0 0 499.704 4.860 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492704381 1066863348 /nfs/dbraw/zinc/86/33/48/1066863348.db2.gz AMTCQJMYSNLEDL-DHIUTWEWSA-N 0 0 499.704 4.860 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC001457564661 1066863626 /nfs/dbraw/zinc/86/36/26/1066863626.db2.gz PEYIZGVIDMLKBH-XIKOKIGWSA-N 0 0 454.329 4.863 20 0 JJADRN C[C@@H](CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001447810131 1066863841 /nfs/dbraw/zinc/86/38/41/1066863841.db2.gz UMYUXWMDWDOAHA-CPEHUTGBSA-N 0 0 453.464 4.791 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(-c3csc(C)n3)s2)cc1 ZINC001457565618 1066864047 /nfs/dbraw/zinc/86/40/47/1066864047.db2.gz ONLRCDUHGYKPFN-OAHLLOKOSA-N 0 0 457.621 4.966 20 0 JJADRN Cc1[nH]c2c(cccc2C(=O)N(C)Cc2cccc(Br)c2OCC(C)(C)O)c1C ZINC001447810231 1066864324 /nfs/dbraw/zinc/86/43/24/1066864324.db2.gz OMNWCNQOZZJJHG-UHFFFAOYSA-N 0 0 459.384 4.969 20 0 JJADRN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(C)c(S(=O)(=O)Nc3ccccc3F)c1)CO2 ZINC001457567712 1066864586 /nfs/dbraw/zinc/86/45/86/1066864586.db2.gz JUELLPZWQDLBEU-UHFFFAOYSA-N 0 0 452.507 4.658 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(Cc2ccccc2Br)CC(C)C)cc1 ZINC001457567628 1066864721 /nfs/dbraw/zinc/86/47/21/1066864721.db2.gz OZLWEVWAHKUXJH-JOCHJYFZSA-N 0 0 457.412 4.933 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 ZINC001492705247 1066864876 /nfs/dbraw/zinc/86/48/76/1066864876.db2.gz ZXBHNZDKMPCQHW-UHFFFAOYSA-N 0 0 457.420 4.929 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCOC1 ZINC001492705390 1066864976 /nfs/dbraw/zinc/86/49/76/1066864976.db2.gz DTEYXFXZEYFYOP-QGZVFWFLSA-N 0 0 493.475 4.617 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c1 ZINC001457567710 1066864893 /nfs/dbraw/zinc/86/48/93/1066864893.db2.gz PXVIYKZSUXODRN-UHFFFAOYSA-N 0 0 457.530 4.674 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC001447813075 1066864994 /nfs/dbraw/zinc/86/49/94/1066864994.db2.gz HNWDWITYSBBVGM-LLVKDONJSA-N 0 0 457.836 4.624 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)sc2c1CCCC2 ZINC001447811797 1066865139 /nfs/dbraw/zinc/86/51/39/1066865139.db2.gz TUVPFPSWSCRMBZ-LJQANCHMSA-N 0 0 454.592 4.919 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F ZINC001457568675 1066865359 /nfs/dbraw/zinc/86/53/59/1066865359.db2.gz XENRAAMPCIOKPX-LJQANCHMSA-N 0 0 455.440 4.745 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1 ZINC001492705457 1066865450 /nfs/dbraw/zinc/86/54/50/1066865450.db2.gz GNYHQCGIHQJUFD-UHFFFAOYSA-N 0 0 488.459 4.761 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001492705558 1066865468 /nfs/dbraw/zinc/86/54/68/1066865468.db2.gz JWLDRKFPMVIKNT-MRXNPFEDSA-N 0 0 498.429 4.924 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492705615 1066865505 /nfs/dbraw/zinc/86/55/05/1066865505.db2.gz LUQNHOJFCJOHKM-MOPGFXCFSA-N 0 0 470.593 4.546 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Br)c(F)cc1F ZINC001447816953 1066865615 /nfs/dbraw/zinc/86/56/15/1066865615.db2.gz NPWIHCPPBXVRFZ-KRWDZBQOSA-N 0 0 455.299 4.802 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1n[nH]c(-c2ccccc2F)n1 ZINC001457569095 1066865723 /nfs/dbraw/zinc/86/57/23/1066865723.db2.gz DHSPXZHNKWTXQS-UHFFFAOYSA-N 0 0 456.275 4.843 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492705618 1066866112 /nfs/dbraw/zinc/86/61/12/1066866112.db2.gz LUQNHOJFCJOHKM-RTBURBONSA-N 0 0 470.593 4.546 20 0 JJADRN Cc1nccn1CCCCn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 ZINC001492705705 1066866179 /nfs/dbraw/zinc/86/61/79/1066866179.db2.gz OUCOMNPBZGGVNN-UHFFFAOYSA-N 0 0 454.594 4.712 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(N(C)[C@H](C)c3cc(F)ccc3F)nnc2C(C)(C)C)cn1 ZINC001492705813 1066866210 /nfs/dbraw/zinc/86/62/10/1066866210.db2.gz RTHRTCCZPZVKEN-MRXNPFEDSA-N 0 0 465.552 4.989 20 0 JJADRN C[C@@H](OC(=O)c1cc(I)ccc1F)c1c(F)cccc1-n1cccn1 ZINC001457570714 1066866649 /nfs/dbraw/zinc/86/66/49/1066866649.db2.gz CGHONNVFKJVKSD-LLVKDONJSA-N 0 0 454.214 4.673 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OCCC(C)C)c1 ZINC001457570886 1066866704 /nfs/dbraw/zinc/86/67/04/1066866704.db2.gz DQAZQIFWELKYKJ-UHFFFAOYSA-N 0 0 458.624 4.525 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001492705959 1066867011 /nfs/dbraw/zinc/86/70/11/1066867011.db2.gz YASOCMIEFOBJQG-CEXWTWQISA-N 0 0 472.634 4.873 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC001457571355 1066867114 /nfs/dbraw/zinc/86/71/14/1066867114.db2.gz IYTYBARVCOUGKG-LJQANCHMSA-N 0 0 450.501 4.826 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(C3CCCCC3)nn2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001457572492 1066867124 /nfs/dbraw/zinc/86/71/24/1066867124.db2.gz ILFHHTAWTCRSPU-UHFFFAOYSA-N 0 0 459.472 4.593 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706447 1066868295 /nfs/dbraw/zinc/86/82/95/1066868295.db2.gz NIJPJHRGQURKBQ-UHFFFAOYSA-N 0 0 484.620 4.765 20 0 JJADRN C[C@H](OC(=O)c1cnn(-c2ccccc2)c1Br)c1c(F)cccc1-n1cccn1 ZINC001457575165 1066868424 /nfs/dbraw/zinc/86/84/24/1066868424.db2.gz JXWRCHWUEQARBO-AWEZNQCLSA-N 0 0 455.287 4.878 20 0 JJADRN COCc1ccc(C(=O)N2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)o1 ZINC001447843551 1066868562 /nfs/dbraw/zinc/86/85/62/1066868562.db2.gz SKMYKEXALDDYAU-RBBKRZOGSA-N 0 0 456.583 4.804 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc3cc(Cl)ccc3n2C)[C@@H]1c1ccc(OC)cc1 ZINC001457575494 1066869012 /nfs/dbraw/zinc/86/90/12/1066869012.db2.gz LGXBYYINFFQCFX-GCJKJVERSA-N 0 0 454.958 4.564 20 0 JJADRN CC[C@H](C)[C@@H](C(=O)NCc1ccc(C)cc1OCCC(C)C)N1C(=O)c2ccccc2C1=O ZINC001457576932 1066869024 /nfs/dbraw/zinc/86/90/24/1066869024.db2.gz SQHGGSCGQXRKNA-CYFREDJKSA-N 0 0 450.579 4.747 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2nc3cc(Cl)ccc3n2C)[C@H]1c1ccc(OC)cc1 ZINC001457575505 1066869039 /nfs/dbraw/zinc/86/90/39/1066869039.db2.gz LGXBYYINFFQCFX-XMSQKQJNSA-N 0 0 454.958 4.564 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492706724 1066869051 /nfs/dbraw/zinc/86/90/51/1066869051.db2.gz YCUBFOOAEMNUQN-FDFHNCONSA-N 0 0 485.677 4.516 20 0 JJADRN CCCCCCOc1cc(C)ccc1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001457576071 1066869113 /nfs/dbraw/zinc/86/91/13/1066869113.db2.gz SCEDAPNLBNCLID-UHFFFAOYSA-N 0 0 458.624 4.732 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C)cc1OCCC(C)C ZINC001457578533 1066869670 /nfs/dbraw/zinc/86/96/70/1066869670.db2.gz UWQUJGDVSBHYAF-QHCPKHFHSA-N 0 0 452.595 4.740 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C)cc1OCCC(C)C ZINC001457578520 1066869688 /nfs/dbraw/zinc/86/96/88/1066869688.db2.gz UWQUJGDVSBHYAF-HSZRJFAPSA-N 0 0 452.595 4.740 20 0 JJADRN CCCCCC[C@H](CC)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC001457577192 1066869812 /nfs/dbraw/zinc/86/98/12/1066869812.db2.gz LGEBLSAETZXZCE-SFHVURJKSA-N 0 0 452.437 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001447846992 1066869791 /nfs/dbraw/zinc/86/97/91/1066869791.db2.gz ZVZVBAIWUHMLLZ-ROUUACIJSA-N 0 0 459.414 4.959 20 0 JJADRN Cc1nccn1CCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001492706974 1066869972 /nfs/dbraw/zinc/86/99/72/1066869972.db2.gz GTOUMMYBBHLCJF-MRXNPFEDSA-N 0 0 467.565 4.856 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492707194 1066870156 /nfs/dbraw/zinc/87/01/56/1066870156.db2.gz NTTSWYAEZRYKDK-FQEVSTJZSA-N 0 0 487.446 4.554 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4cc(Br)ccc4c3)CC2=O)cc1 ZINC001457579068 1066870292 /nfs/dbraw/zinc/87/02/92/1066870292.db2.gz ABBGZIOVUFGRHI-GOSISDBHSA-N 0 0 453.336 4.598 20 0 JJADRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)nn1-c1ccc(C)cc1 ZINC001447859821 1066870716 /nfs/dbraw/zinc/87/07/16/1066870716.db2.gz PULUMOBBRMXVPG-OAQYLSRUSA-N 0 0 458.331 4.604 20 0 JJADRN Cc1nccn1CCCn1c(-c2cccc(Br)c2)nnc1N(C)OC1CCCC1 ZINC001492707498 1066870793 /nfs/dbraw/zinc/87/07/93/1066870793.db2.gz XUMJRUOWUGLJLR-UHFFFAOYSA-N 0 0 459.392 4.613 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC001447861081 1066870906 /nfs/dbraw/zinc/87/09/06/1066870906.db2.gz BPNOWSKTAFHAET-UHFFFAOYSA-N 0 0 452.576 4.556 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1 ZINC001492707244 1066870955 /nfs/dbraw/zinc/87/09/55/1066870955.db2.gz PFEMWFXMIMYDAY-HNNXBMFYSA-N 0 0 497.363 4.923 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc3cc(Br)ccc3c2)CC1=O ZINC001457588062 1066872074 /nfs/dbraw/zinc/87/20/74/1066872074.db2.gz PDROMWMLSDPCDJ-KRWDZBQOSA-N 0 0 453.336 4.911 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC001457587837 1066872196 /nfs/dbraw/zinc/87/21/96/1066872196.db2.gz WLMBUZWKAOWRJO-OAHLLOKOSA-N 0 0 454.379 4.752 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492708296 1066872406 /nfs/dbraw/zinc/87/24/06/1066872406.db2.gz WANXCHVUKRVBND-TUNNFDKTSA-N 0 0 485.677 4.613 20 0 JJADRN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C1(c2ccccc2)CCCC1 ZINC001447869207 1066872252 /nfs/dbraw/zinc/87/22/52/1066872252.db2.gz SICDLDKMQPCTLE-KRWDZBQOSA-N 0 0 455.555 4.585 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1 ZINC001447867571 1066872407 /nfs/dbraw/zinc/87/24/07/1066872407.db2.gz QNULJFHDNZVLJN-UHFFFAOYSA-N 0 0 457.571 4.549 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC001457589996 1066872721 /nfs/dbraw/zinc/87/27/21/1066872721.db2.gz DKZWWJNOOAJVSH-JTSKRJEESA-N 0 0 458.514 4.899 20 0 JJADRN CCCc1ccc(-c2cc(NC(=O)CCc3ccc(Br)cc3)n(CCO)n2)cc1 ZINC001457589496 1066872885 /nfs/dbraw/zinc/87/28/85/1066872885.db2.gz BVZSHKLYDPZRCO-UHFFFAOYSA-N 0 0 456.384 4.829 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1 ZINC001447874192 1066872906 /nfs/dbraw/zinc/87/29/06/1066872906.db2.gz UUZFISSQXCGMBE-AKJBCIBTSA-N 0 0 454.455 4.942 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1)OCc1ccccc1 ZINC001457588398 1066872919 /nfs/dbraw/zinc/87/29/19/1066872919.db2.gz SGNFHDWKIANDRZ-XMMPIXPASA-N 0 0 450.966 4.927 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 ZINC001492709040 1066873146 /nfs/dbraw/zinc/87/31/46/1066873146.db2.gz UZMHXILKRNISFG-KRWDZBQOSA-N 0 0 481.453 4.701 20 0 JJADRN Cc1ccc(CNC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c(OCC2CC2)c1 ZINC001457590896 1066873199 /nfs/dbraw/zinc/87/31/99/1066873199.db2.gz BEYQVBBEUPTSFB-UHFFFAOYSA-N 0 0 459.583 4.716 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 ZINC001492709573 1066873727 /nfs/dbraw/zinc/87/37/27/1066873727.db2.gz MVIURWCWYRAWBR-INIZCTEOSA-N 0 0 461.035 4.608 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC001546001147 1066874168 /nfs/dbraw/zinc/87/41/68/1066874168.db2.gz HUCRFUKLRUMFGM-VWNXMTODSA-N 0 0 488.680 4.835 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)F)C1)Oc1cccc(F)c1 ZINC001546001158 1066874245 /nfs/dbraw/zinc/87/42/45/1066874245.db2.gz HXRLZNHJHLBWSZ-QUCCMNQESA-N 0 0 459.516 4.742 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc2cc(Br)ccc2c1)N1C(=O)c2ccccc2C1=O ZINC001457594862 1066874797 /nfs/dbraw/zinc/87/47/97/1066874797.db2.gz WDCNJYYXNJQNCD-FQEVSTJZSA-N 0 0 451.320 4.862 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492710197 1066875034 /nfs/dbraw/zinc/87/50/34/1066875034.db2.gz HGTOPHVMVXGOHB-JOCHJYFZSA-N 0 0 493.656 4.551 20 0 JJADRN C[C@H](C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1ccc(Br)s1 ZINC001457597548 1066875257 /nfs/dbraw/zinc/87/52/57/1066875257.db2.gz ZKXYPFXAHXZMFH-NSHDSACASA-N 0 0 454.777 4.762 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492710346 1066875288 /nfs/dbraw/zinc/87/52/88/1066875288.db2.gz LXQYJDKCFSVADF-AWEZNQCLSA-N 0 0 459.982 4.639 20 0 JJADRN CC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)c1cc(F)cc(Br)c1 ZINC001447905180 1066875281 /nfs/dbraw/zinc/87/52/81/1066875281.db2.gz PKIRILIINBRSKK-FLXSYLCISA-N 0 0 455.368 4.705 20 0 JJADRN O=C(c1csc(COc2ccc(F)cc2)n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447909376 1066875484 /nfs/dbraw/zinc/87/54/84/1066875484.db2.gz WZFPZCJDXOUTEH-IBGZPJMESA-N 0 0 450.894 4.867 20 0 JJADRN O=C(NCC(=O)N1CCC(c2ccccc2Br)CC1)Nc1cccc(Cl)c1 ZINC001447906242 1066875495 /nfs/dbraw/zinc/87/54/95/1066875495.db2.gz RXLAPAXPYDOTCH-UHFFFAOYSA-N 0 0 450.764 4.630 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001492710710 1066875940 /nfs/dbraw/zinc/87/59/40/1066875940.db2.gz ZIAUOFJCOFITBO-CQSZACIVSA-N 0 0 457.916 4.674 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001457602835 1066875869 /nfs/dbraw/zinc/87/58/69/1066875869.db2.gz CKMUAUULKYIFBL-JQWIXIFHSA-N 0 0 469.767 4.592 20 0 JJADRN Cc1cccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1NC(=O)c1ccncc1 ZINC001447912561 1066875888 /nfs/dbraw/zinc/87/58/88/1066875888.db2.gz KSGZVZUTYJYSNX-UHFFFAOYSA-N 0 0 454.452 4.773 20 0 JJADRN C[C@@]1(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(c2cccc(Cl)c2F)=NO1 ZINC001447910290 1066876061 /nfs/dbraw/zinc/87/60/61/1066876061.db2.gz HAHFHCZJJTZBSZ-FQEVSTJZSA-N 0 0 455.839 4.879 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](Cc1nnc[nH]1)c1ccccc1 ZINC001447917002 1066876093 /nfs/dbraw/zinc/87/60/93/1066876093.db2.gz UNAHDWPTQBCGQX-KRWDZBQOSA-N 0 0 457.481 4.969 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C1CCCCC1 ZINC001457603157 1066876109 /nfs/dbraw/zinc/87/61/09/1066876109.db2.gz ATFDPAARHGUONM-SFHVURJKSA-N 0 0 459.593 4.737 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001492710673 1066876031 /nfs/dbraw/zinc/87/60/31/1066876031.db2.gz XYYNBRVXTYGKBP-UHFFFAOYSA-N 0 0 492.784 4.670 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)cc1 ZINC001457608498 1066876628 /nfs/dbraw/zinc/87/66/28/1066876628.db2.gz RGBVWVLHVRDGMU-UHFFFAOYSA-N 0 0 458.356 4.736 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)CC1 ZINC001492712292 1066877549 /nfs/dbraw/zinc/87/75/49/1066877549.db2.gz YIELTIMTXLGHJS-FQEVSTJZSA-N 0 0 450.631 4.986 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492711990 1066877710 /nfs/dbraw/zinc/87/77/10/1066877710.db2.gz OLNQAEPIVTZSPN-LJQANCHMSA-N 0 0 485.430 4.617 20 0 JJADRN Cc1cc2cc(C(=O)Nc3cc(-c4ccc(Br)cc4)nn3CCO)oc2cc1C ZINC001457610755 1066877968 /nfs/dbraw/zinc/87/79/68/1066877968.db2.gz ZYBROOOVBARELJ-UHFFFAOYSA-N 0 0 454.324 4.920 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001457610596 1066877992 /nfs/dbraw/zinc/87/79/92/1066877992.db2.gz ZCXKJOMPGHPCOB-UHFFFAOYSA-N 0 0 452.688 4.661 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(F)F)C1)Oc1ccccc1F ZINC001546001372 1066878313 /nfs/dbraw/zinc/87/83/13/1066878313.db2.gz MDQFOCOZUNYRNZ-RBUKOAKNSA-N 0 0 459.516 4.742 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492712979 1066878548 /nfs/dbraw/zinc/87/85/48/1066878548.db2.gz SVHDDLYWQCJDHG-RTBURBONSA-N 0 0 452.578 4.771 20 0 JJADRN CN(C(=O)c1csc(Cc2ccccc2F)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447938837 1066878738 /nfs/dbraw/zinc/87/87/38/1066878738.db2.gz FFINXFMYFCWTDU-AZUAARDMSA-N 0 0 451.350 4.910 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)n1 ZINC001457613978 1066879183 /nfs/dbraw/zinc/87/91/83/1066879183.db2.gz PCJCCUQSNWDSOR-UHFFFAOYSA-N 0 0 457.415 4.911 20 0 JJADRN CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)c1 ZINC001447945425 1066879324 /nfs/dbraw/zinc/87/93/24/1066879324.db2.gz MFJKYWUYMJXSBJ-UHFFFAOYSA-N 0 0 454.617 4.897 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001447940139 1066879384 /nfs/dbraw/zinc/87/93/84/1066879384.db2.gz PGNLJENIZHQNQI-UHFFFAOYSA-N 0 0 454.439 4.727 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492713517 1066879648 /nfs/dbraw/zinc/87/96/48/1066879648.db2.gz MSMWWPBPSOWPJU-MRXNPFEDSA-N 0 0 498.912 4.626 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1 ZINC001492713447 1066879752 /nfs/dbraw/zinc/87/97/52/1066879752.db2.gz KBZUXIRUKHTAMM-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC001457615858 1066879765 /nfs/dbraw/zinc/87/97/65/1066879765.db2.gz GDEFMSBERKSCIS-UHFFFAOYSA-N 0 0 454.729 4.922 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492713458 1066879786 /nfs/dbraw/zinc/87/97/86/1066879786.db2.gz KLDNRXJPZOXQCH-CXAGYDPISA-N 0 0 450.896 4.574 20 0 JJADRN CC(C)[C@@H](CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC001447950837 1066880439 /nfs/dbraw/zinc/88/04/39/1066880439.db2.gz FFDSZBJFKBBHMA-XHCCPWGMSA-N 0 0 450.442 4.968 20 0 JJADRN Cc1nccnc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 ZINC001492714015 1066880846 /nfs/dbraw/zinc/88/08/46/1066880846.db2.gz AGOXZVFSFYEHCO-UHFFFAOYSA-N 0 0 472.043 4.658 20 0 JJADRN COc1ccccc1[C@](N)(C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1)C(F)(F)F ZINC001457617934 1066881034 /nfs/dbraw/zinc/88/10/34/1066881034.db2.gz LENYBYVADQYAKF-URXFXBBRSA-N 0 0 458.480 4.716 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001457618812 1066881176 /nfs/dbraw/zinc/88/11/76/1066881176.db2.gz MIZSKHFFCFGOGB-HXUWFJFHSA-N 0 0 454.998 4.933 20 0 JJADRN Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(OC[C@@H]2CCOC2)c1 ZINC001457618994 1066881493 /nfs/dbraw/zinc/88/14/93/1066881493.db2.gz BIVDYSROEIKPCY-QGZVFWFLSA-N 0 0 456.489 4.593 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 ZINC001447954839 1066881722 /nfs/dbraw/zinc/88/17/22/1066881722.db2.gz XVZYXFLJEHXEGB-WFRWYCSKSA-N 0 0 453.391 4.549 20 0 JJADRN Cc1nccnc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492715105 1066882044 /nfs/dbraw/zinc/88/20/44/1066882044.db2.gz ZTHKDWSJCIRQFU-UHFFFAOYSA-N 0 0 462.907 4.562 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001457620574 1066882057 /nfs/dbraw/zinc/88/20/57/1066882057.db2.gz FGGRYHDIJKREPZ-UHFFFAOYSA-N 0 0 454.567 4.638 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC001447957602 1066882149 /nfs/dbraw/zinc/88/21/49/1066882149.db2.gz IFIDJNWHNGAHCB-HNNXBMFYSA-N 0 0 450.526 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)on2)CC1 ZINC001447956382 1066882212 /nfs/dbraw/zinc/88/22/12/1066882212.db2.gz FWTPBGSBPIHCBR-TZIWHRDSSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(C)C)CC1 ZINC001492716911 1066882746 /nfs/dbraw/zinc/88/27/46/1066882746.db2.gz CQLBGTJOPMTVGP-UHFFFAOYSA-N 0 0 458.557 4.969 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCSC1 ZINC001492717077 1066883175 /nfs/dbraw/zinc/88/31/75/1066883175.db2.gz IHHRQSGWYGXTDO-QGZVFWFLSA-N 0 0 476.597 4.676 20 0 JJADRN CC(C)(C)NC(=O)N1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC001447961781 1066883192 /nfs/dbraw/zinc/88/31/92/1066883192.db2.gz WYLWJIQTKZJFBF-UHFFFAOYSA-N 0 0 450.558 4.559 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](C)C2)CCO1 ZINC001546092960 1066883743 /nfs/dbraw/zinc/88/37/43/1066883743.db2.gz IADQUMMJWMUSED-OUDXUNEISA-N 0 0 475.678 4.834 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@H](C)C2)CCO1 ZINC001546092959 1066883791 /nfs/dbraw/zinc/88/37/91/1066883791.db2.gz IADQUMMJWMUSED-CUVVAGTFSA-N 0 0 475.678 4.834 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC001457623029 1066883942 /nfs/dbraw/zinc/88/39/42/1066883942.db2.gz NBZQXAJLRCIYFR-INIZCTEOSA-N 0 0 457.343 4.852 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@@H](C)C2)CCO1 ZINC001546092961 1066883956 /nfs/dbraw/zinc/88/39/56/1066883956.db2.gz IADQUMMJWMUSED-XMERXJNXSA-N 0 0 475.678 4.834 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@H](C)C1 ZINC001492717469 1066884332 /nfs/dbraw/zinc/88/43/32/1066884332.db2.gz RSTWTXVPDPTCEQ-QAPCUYQASA-N 0 0 475.012 4.930 20 0 JJADRN COc1c2ccccc2oc1CNC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001447966757 1066884319 /nfs/dbraw/zinc/88/43/19/1066884319.db2.gz IECSPBFGPVNYAM-NRFANRHFSA-N 0 0 459.502 4.650 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F ZINC001447966080 1066884501 /nfs/dbraw/zinc/88/45/01/1066884501.db2.gz JADHJOIBNMSLDH-INIZCTEOSA-N 0 0 452.857 4.597 20 0 JJADRN Cc1cc(N2CCC(NC(=O)c3ccccc3Oc3cccc(Br)c3)CC2)n[nH]1 ZINC001447966621 1066884527 /nfs/dbraw/zinc/88/45/27/1066884527.db2.gz MATPIZBUILBNLA-UHFFFAOYSA-N 0 0 455.356 4.672 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001492717761 1066884829 /nfs/dbraw/zinc/88/48/29/1066884829.db2.gz VPIQOMWOPANRTC-BBRMVZONSA-N 0 0 493.475 4.571 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)C1(C)C ZINC001447968226 1066884932 /nfs/dbraw/zinc/88/49/32/1066884932.db2.gz DUSGOGRDPIELEG-YVHKJVDXSA-N 0 0 458.521 4.547 20 0 JJADRN COc1ccc(NC(=O)CN2C(=S)N=NC2c2cccs2)c(OCc2ccccc2)c1 ZINC001447968266 1066884984 /nfs/dbraw/zinc/88/49/84/1066884984.db2.gz PUOGKNSCIKKIEW-UHFFFAOYSA-N 0 0 452.561 4.522 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](F)C1 ZINC001492717908 1066885382 /nfs/dbraw/zinc/88/53/82/1066885382.db2.gz OJBZOGXLULKDGQ-SJORKVTESA-N 0 0 475.410 4.833 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC=CCC1 ZINC001492718000 1066885890 /nfs/dbraw/zinc/88/58/90/1066885890.db2.gz ZGCFVIPBSGWIOO-VQTJNVASSA-N 0 0 452.578 4.900 20 0 JJADRN O=C(Nc1cc(-c2ccccc2Br)no1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001457630735 1066886007 /nfs/dbraw/zinc/88/60/07/1066886007.db2.gz FQUFHGKDJOHWCZ-UHFFFAOYSA-N 0 0 455.234 4.908 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ncc(Cc2ccccc2)o1 ZINC001447973454 1066886318 /nfs/dbraw/zinc/88/63/18/1066886318.db2.gz XYHKYYNXSPHWAM-FQEVSTJZSA-N 0 0 457.368 4.796 20 0 JJADRN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001457630537 1066886319 /nfs/dbraw/zinc/88/63/19/1066886319.db2.gz WLMITUAOVHEMNI-STZFKDTASA-N 0 0 455.482 4.797 20 0 JJADRN O=C(Nc1cc(-c2ccccc2Br)no1)c1ccccc1[S@](=O)C(F)(F)F ZINC001457631904 1066886870 /nfs/dbraw/zinc/88/68/70/1066886870.db2.gz KRIQTCODGJRDIU-MHZLTWQESA-N 0 0 459.243 4.984 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492718587 1066886835 /nfs/dbraw/zinc/88/68/35/1066886835.db2.gz KUBJIDJLZFFOQW-QFIPXVFZSA-N 0 0 499.704 4.645 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCCS1 ZINC001492718428 1066887132 /nfs/dbraw/zinc/88/71/32/1066887132.db2.gz FRHVMVYKARGOAL-QFIPXVFZSA-N 0 0 452.672 4.726 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001447978854 1066887509 /nfs/dbraw/zinc/88/75/09/1066887509.db2.gz AHWLLEHOQVNBHN-CJLVFECKSA-N 0 0 454.592 4.587 20 0 JJADRN O=C(Nc1cc(-c2ccccc2Br)no1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001457632923 1066887395 /nfs/dbraw/zinc/88/73/95/1066887395.db2.gz OYIMCQQRSMTQCV-OAQYLSRUSA-N 0 0 454.324 4.796 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001492718733 1066887861 /nfs/dbraw/zinc/88/78/61/1066887861.db2.gz QDJXAWWPYWOZGX-OZXSUGGESA-N 0 0 464.658 4.501 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC001457633683 1066888049 /nfs/dbraw/zinc/88/80/49/1066888049.db2.gz DZWUBWVJVDVOIN-UHFFFAOYSA-N 0 0 450.134 4.607 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001546002014 1066888652 /nfs/dbraw/zinc/88/86/52/1066888652.db2.gz YFEWQLCLWSVAPU-CJFMBICVSA-N 0 0 487.570 4.987 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492719465 1066888804 /nfs/dbraw/zinc/88/88/04/1066888804.db2.gz MQAPTNRANPXROI-HXUWFJFHSA-N 0 0 485.677 4.570 20 0 JJADRN CC[C@@](O)(CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001448004685 1066889124 /nfs/dbraw/zinc/88/91/24/1066889124.db2.gz NFILMZPCPSKYMD-ISKFKSNPSA-N 0 0 453.380 4.932 20 0 JJADRN O=Cc1ccc(OCCC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001448004116 1066889159 /nfs/dbraw/zinc/88/91/59/1066889159.db2.gz MYXAJSQTHISONZ-JOCHJYFZSA-N 0 0 453.336 4.526 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001457640399 1066889263 /nfs/dbraw/zinc/88/92/63/1066889263.db2.gz WXWOLZPUKKJRDB-CQSZACIVSA-N 0 0 452.146 4.839 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001457640393 1066889276 /nfs/dbraw/zinc/88/92/76/1066889276.db2.gz WXWOLZPUKKJRDB-AWEZNQCLSA-N 0 0 452.146 4.839 20 0 JJADRN COc1ccc(OCCC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC001448000920 1066889235 /nfs/dbraw/zinc/88/92/35/1066889235.db2.gz GOMAWIZRAGPNRZ-QFIPXVFZSA-N 0 0 455.352 4.722 20 0 JJADRN CC[C@@](O)(CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001448004714 1066889365 /nfs/dbraw/zinc/88/93/65/1066889365.db2.gz NFILMZPCPSKYMD-LADGPHEKSA-N 0 0 453.380 4.932 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCC1(C)C ZINC001492720240 1066889486 /nfs/dbraw/zinc/88/94/86/1066889486.db2.gz JJMBCWGBSFZCFS-IBGZPJMESA-N 0 0 454.594 4.809 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccncc1 ZINC001492720222 1066889544 /nfs/dbraw/zinc/88/95/44/1066889544.db2.gz IQNOOPLOEMBSLH-UHFFFAOYSA-N 0 0 482.057 4.848 20 0 JJADRN CC[C@@H](CN(CC)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccccc1 ZINC001448011907 1066889799 /nfs/dbraw/zinc/88/97/99/1066889799.db2.gz HBORFSGXGPQPJF-IBGZPJMESA-N 0 0 456.633 4.883 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1c(Cl)nc2ccccn21 ZINC001448008186 1066890037 /nfs/dbraw/zinc/89/00/37/1066890037.db2.gz XFTGRSHLEVLDKV-KRWDZBQOSA-N 0 0 455.743 4.859 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cc(C)cc(Br)c2N)c2ccccc2OC)cc1 ZINC001546002204 1066890408 /nfs/dbraw/zinc/89/04/08/1066890408.db2.gz CLPTXYCTKIGQMI-QFIPXVFZSA-N 0 0 455.352 4.876 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492720536 1066890443 /nfs/dbraw/zinc/89/04/43/1066890443.db2.gz RJRUZWMOSHUWDQ-DLBZAZTESA-N 0 0 480.510 4.735 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1C ZINC001492720527 1066890500 /nfs/dbraw/zinc/89/05/00/1066890500.db2.gz RFFFZGDJACNAPP-LPHOPBHVSA-N 0 0 457.022 4.933 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492720799 1066890776 /nfs/dbraw/zinc/89/07/76/1066890776.db2.gz BAKCOVCWTPZNGJ-VWLOTQADSA-N 0 0 488.583 4.587 20 0 JJADRN CO[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1Cl ZINC001457652220 1066890780 /nfs/dbraw/zinc/89/07/80/1066890780.db2.gz NYUXDTLTJKTINN-QUCCMNQESA-N 0 0 450.938 4.591 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001492720778 1066890840 /nfs/dbraw/zinc/89/08/40/1066890840.db2.gz ALPCAWUAZAQMOC-GJZGRUSLSA-N 0 0 457.420 4.589 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001492720523 1066890897 /nfs/dbraw/zinc/89/08/97/1066890897.db2.gz RDPADGAUFPPOLF-KRWDZBQOSA-N 0 0 498.056 4.519 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001492720711 1066890921 /nfs/dbraw/zinc/89/09/21/1066890921.db2.gz YWTKXNWWDHOOIK-SIKLNZKXSA-N 0 0 487.048 4.721 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)CCCC1 ZINC001457656016 1066890865 /nfs/dbraw/zinc/89/08/65/1066890865.db2.gz IJNKUGOECNKXQB-UHFFFAOYSA-N 0 0 451.470 4.967 20 0 JJADRN O=C(Nc1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)OCc1ccccc1 ZINC001448021214 1066890912 /nfs/dbraw/zinc/89/09/12/1066890912.db2.gz GHCKYNBGIKHCLZ-HSZRJFAPSA-N 0 0 452.457 4.927 20 0 JJADRN CC(C)C1(C)CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 ZINC001448020939 1066891015 /nfs/dbraw/zinc/89/10/15/1066891015.db2.gz COCNVXOKEAQHPT-LJQANCHMSA-N 0 0 453.396 4.868 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)c1-c1ccc2c(c1)OCO2 ZINC001457654719 1066891029 /nfs/dbraw/zinc/89/10/29/1066891029.db2.gz CBXOACNXDVIVOU-RHSMWYFYSA-N 0 0 458.559 4.636 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccccc31)CCO2 ZINC001448023622 1066891646 /nfs/dbraw/zinc/89/16/46/1066891646.db2.gz GJGWDJBZOSORLH-VXKWHMMOSA-N 0 0 452.551 4.560 20 0 JJADRN CC(C)C1(C)CCN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001448023170 1066891712 /nfs/dbraw/zinc/89/17/12/1066891712.db2.gz OZPHBXYRKBAYCB-UHFFFAOYSA-N 0 0 455.046 4.956 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC001546092750 1066892118 /nfs/dbraw/zinc/89/21/18/1066892118.db2.gz FGDYLORCKBETKL-RXVVDRJESA-N 0 0 456.484 4.731 20 0 JJADRN O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)[C@@H]1COc2ccc(Br)cc21 ZINC001457661849 1066892165 /nfs/dbraw/zinc/89/21/65/1066892165.db2.gz RXUCJYPQILYIIM-CQSZACIVSA-N 0 0 451.223 4.820 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492721099 1066892104 /nfs/dbraw/zinc/89/21/04/1066892104.db2.gz LUTZKQRAFJVXQS-DEOSSOPVSA-N 0 0 457.022 4.639 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492721168 1066892123 /nfs/dbraw/zinc/89/21/23/1066892123.db2.gz NWSIAHMSIIXTTM-HXUWFJFHSA-N 0 0 477.440 4.902 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC001448028936 1066892242 /nfs/dbraw/zinc/89/22/42/1066892242.db2.gz OMXFLWUTHSRCSN-BWKNWUBXSA-N 0 0 456.970 4.954 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC001448029055 1066892380 /nfs/dbraw/zinc/89/23/80/1066892380.db2.gz IVNVZMSCWNIDRO-NVXWUHKLSA-N 0 0 451.405 4.726 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC001448028951 1066892391 /nfs/dbraw/zinc/89/23/91/1066892391.db2.gz OMXFLWUTHSRCSN-OFVILXPXSA-N 0 0 456.970 4.954 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)c(OCC(F)(F)F)c1 ZINC001457663056 1066892637 /nfs/dbraw/zinc/89/26/37/1066892637.db2.gz OAOJRWFQAGNPAG-UHFFFAOYSA-N 0 0 453.461 4.537 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)CSc3n[nH]c(-c4ccc(C)cc4)n3)n2)cc1 ZINC001457662581 1066892701 /nfs/dbraw/zinc/89/27/01/1066892701.db2.gz VLYIEGHJYFMWHY-UHFFFAOYSA-N 0 0 454.606 4.751 20 0 JJADRN CCOC(=O)[C@H]1CCCN1C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 ZINC001448030428 1066892741 /nfs/dbraw/zinc/89/27/41/1066892741.db2.gz VKEOYGIDLBGBSX-JOIYNNFJSA-N 0 0 450.560 4.790 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001492721312 1066892726 /nfs/dbraw/zinc/89/27/26/1066892726.db2.gz ULXHRTYWQMQBLK-UHFFFAOYSA-N 0 0 456.381 4.682 20 0 JJADRN CCOC(=O)c1cnc(C(=O)Nc2nc3ccccc3n2-c2ccccc2OC)c(Cl)c1 ZINC001457663790 1066892804 /nfs/dbraw/zinc/89/28/04/1066892804.db2.gz JVVBCQPAVFWUTK-UHFFFAOYSA-N 0 0 450.882 4.512 20 0 JJADRN Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)c1C ZINC001457664740 1066893238 /nfs/dbraw/zinc/89/32/38/1066893238.db2.gz VDGCRNNXVOLWMO-XMMPIXPASA-N 0 0 451.588 4.874 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492722228 1066893310 /nfs/dbraw/zinc/89/33/10/1066893310.db2.gz VZLKSFOKKOIAGQ-SFTDATJTSA-N 0 0 499.704 4.664 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001492722330 1066893359 /nfs/dbraw/zinc/89/33/59/1066893359.db2.gz YXUHGQWTOXQIRA-UHFFFAOYSA-N 0 0 456.679 4.829 20 0 JJADRN CCOC[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001448041990 1066893478 /nfs/dbraw/zinc/89/34/78/1066893478.db2.gz ANACUJICRKLBGF-SIBVEZHUSA-N 0 0 458.558 4.808 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001448049204 1066893536 /nfs/dbraw/zinc/89/35/36/1066893536.db2.gz NONQKBPBZUAXLP-SBUREZEXSA-N 0 0 451.950 4.993 20 0 JJADRN Cc1ccc(CNC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c(OCC(F)(F)F)c1 ZINC001457666862 1066893827 /nfs/dbraw/zinc/89/38/27/1066893827.db2.gz YOIDWJLLLUPIKL-UHFFFAOYSA-N 0 0 451.420 4.683 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1)C(=O)OC(C)(C)C ZINC001457665463 1066893841 /nfs/dbraw/zinc/89/38/41/1066893841.db2.gz OSMNPKRBGRTHFL-WOIUINJBSA-N 0 0 456.608 4.777 20 0 JJADRN CC(C)[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)OC(C)(C)C ZINC001457667081 1066893865 /nfs/dbraw/zinc/89/38/65/1066893865.db2.gz WJXVBDGHWGDZMW-GOSISDBHSA-N 0 0 456.370 4.849 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C ZINC001492722846 1066893953 /nfs/dbraw/zinc/89/39/53/1066893953.db2.gz RHCOIUAJAWSRGQ-QFIPXVFZSA-N 0 0 471.049 4.578 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC001448053481 1066894041 /nfs/dbraw/zinc/89/40/41/1066894041.db2.gz XQFZPOVSDNJXEO-UHFFFAOYSA-N 0 0 455.287 4.803 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC001448049210 1066894115 /nfs/dbraw/zinc/89/41/15/1066894115.db2.gz NONQKBPBZUAXLP-UZUQRXQVSA-N 0 0 451.950 4.993 20 0 JJADRN C[C@@H](NC(=O)c1ccnn1CC(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457670360 1066894382 /nfs/dbraw/zinc/89/43/82/1066894382.db2.gz UTVLHJQNXICISZ-SNVBAGLBSA-N 0 0 459.291 4.822 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001492722975 1066894410 /nfs/dbraw/zinc/89/44/10/1066894410.db2.gz WRGDKURWBBOVLL-UHFFFAOYSA-N 0 0 460.548 4.631 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001492722990 1066894434 /nfs/dbraw/zinc/89/44/34/1066894434.db2.gz XBIOEGPSQXBSCG-UHFFFAOYSA-N 0 0 456.038 4.709 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC001457669992 1066894472 /nfs/dbraw/zinc/89/44/72/1066894472.db2.gz HVOAVUDKSZOWSM-OAHLLOKOSA-N 0 0 454.368 4.589 20 0 JJADRN CC[C@]1(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CCCN1C(=O)OC(C)(C)C ZINC001448056676 1066894744 /nfs/dbraw/zinc/89/47/44/1066894744.db2.gz SAOZWPHWKNIGGA-OAQYLSRUSA-N 0 0 450.992 4.901 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cnc(C)s2)n(C)n1 ZINC001492724551 1066895370 /nfs/dbraw/zinc/89/53/70/1066895370.db2.gz FERDBDOTVDHKLK-UHFFFAOYSA-N 0 0 462.410 4.743 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)[C@@H](C)c2ccco2)n(C)n1 ZINC001492725100 1066895977 /nfs/dbraw/zinc/89/59/77/1066895977.db2.gz SBRWASZYVYRSBE-AWEZNQCLSA-N 0 0 473.350 4.727 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC001457680441 1066895865 /nfs/dbraw/zinc/89/58/65/1066895865.db2.gz LFDDCLNVCZBQIP-OXQOHEQNSA-N 0 0 454.514 4.516 20 0 JJADRN O=C(NC1CC[NH+](C2CCCC2)CC1)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457679558 1066895939 /nfs/dbraw/zinc/89/59/39/1066895939.db2.gz GJNZMZHSOGSJAB-UHFFFAOYSA-N 0 0 457.789 4.675 20 0 JJADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC001448071299 1066896340 /nfs/dbraw/zinc/89/63/40/1066896340.db2.gz QZAJJKJOXRXWBB-QGZVFWFLSA-N 0 0 453.380 4.979 20 0 JJADRN Cc1cc(Cn2c(CC3CCCC3)nnc2N(C)Cc2csc(Br)c2)n(C)n1 ZINC001492725454 1066896573 /nfs/dbraw/zinc/89/65/73/1066896573.db2.gz HELJACDTNJIJCO-UHFFFAOYSA-N 0 0 463.449 4.561 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccc(Cl)s2)n(C)n1 ZINC001492727156 1066896650 /nfs/dbraw/zinc/89/66/50/1066896650.db2.gz JMBDTOTVCCXOJB-UHFFFAOYSA-N 0 0 477.421 4.952 20 0 JJADRN COC[C@]1(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCCCN1C(=O)OC(C)(C)C ZINC001457682819 1066896664 /nfs/dbraw/zinc/89/66/64/1066896664.db2.gz RUEWDQBDHQGFGG-SANMLTNESA-N 0 0 453.583 4.612 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2ccc(C)s2)n(C)n1 ZINC001492727230 1066897102 /nfs/dbraw/zinc/89/71/02/1066897102.db2.gz LCNBVQZHVDENBI-UHFFFAOYSA-N 0 0 450.612 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001448072815 1066897088 /nfs/dbraw/zinc/89/70/88/1066897088.db2.gz ZNOHKZVIXGZQJG-SQGPQFPESA-N 0 0 450.982 4.910 20 0 JJADRN Cc1ccc(-c2nc(NC(=O)c3cccnc3Sc3ccc(Br)cc3)n[nH]2)o1 ZINC001457686192 1066897261 /nfs/dbraw/zinc/89/72/61/1066897261.db2.gz JSNHJZWWNJVDNL-UHFFFAOYSA-N 0 0 456.325 4.934 20 0 JJADRN CC(C)n1ncc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1Br ZINC001457688425 1066897931 /nfs/dbraw/zinc/89/79/31/1066897931.db2.gz MBSYDEPZZNDWDP-UHFFFAOYSA-N 0 0 451.365 4.546 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H](OCC3CC3)C2)CC1 ZINC001448080694 1066898302 /nfs/dbraw/zinc/89/83/02/1066898302.db2.gz PBHALBLTMLPJHP-ASDGIDEWSA-N 0 0 454.655 4.594 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3Cc3sccc3Br)C2)n1 ZINC001492728750 1066898097 /nfs/dbraw/zinc/89/80/97/1066898097.db2.gz LNBSILYVVYMCAS-INIZCTEOSA-N 0 0 463.449 4.929 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001448091996 1066898809 /nfs/dbraw/zinc/89/88/09/1066898809.db2.gz GNAKQMDOCAHKKL-FQRUVTKNSA-N 0 0 455.599 4.788 20 0 JJADRN CN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448081275 1066898970 /nfs/dbraw/zinc/89/89/70/1066898970.db2.gz YINKUWQFLLJWSF-SFHVURJKSA-N 0 0 450.004 4.768 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCCC(C)(C)C)C2)n1 ZINC001492729430 1066899215 /nfs/dbraw/zinc/89/92/15/1066899215.db2.gz CCNOXTOCHNONJZ-LJQANCHMSA-N 0 0 457.026 4.870 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(Br)c4)n3CCCCCO)C2)n1 ZINC001492729683 1066899260 /nfs/dbraw/zinc/89/92/60/1066899260.db2.gz HYEIIGBHNAGRMW-NRFANRHFSA-N 0 0 487.446 4.525 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC001448096073 1066899350 /nfs/dbraw/zinc/89/93/50/1066899350.db2.gz MSHRWDLSQJMITG-UHFFFAOYSA-N 0 0 451.995 4.589 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CCCOC(F)F)C2)n1 ZINC001492729352 1066899326 /nfs/dbraw/zinc/89/93/26/1066899326.db2.gz ANOINSHYNKTBIP-UYAOXDASSA-N 0 0 492.546 4.841 20 0 JJADRN O=C(CCc1ccccc1N1CCOCC1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001448095244 1066899517 /nfs/dbraw/zinc/89/95/17/1066899517.db2.gz LGTLOMRUJISVBQ-NRFANRHFSA-N 0 0 458.986 4.696 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Br)cc4)n3CCCCCO)C2)n1 ZINC001492729822 1066899723 /nfs/dbraw/zinc/89/97/23/1066899723.db2.gz LEITTXHCOGVMJM-OAQYLSRUSA-N 0 0 487.446 4.525 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)c3cc(Br)cc(Br)c3)nc2c1 ZINC001448100375 1066900076 /nfs/dbraw/zinc/90/00/76/1066900076.db2.gz AENVXADNTWLMLQ-VIFPVBQESA-N 0 0 453.134 4.588 20 0 JJADRN C[C@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)N1CCC(Cc2ccccc2)CC1 ZINC001457704974 1066900404 /nfs/dbraw/zinc/90/04/04/1066900404.db2.gz VDVRYRPQGJQFCO-OAHLLOKOSA-N 0 0 458.356 4.979 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCC(=O)NC(C)(C)C)C2)n1 ZINC001492730022 1066900437 /nfs/dbraw/zinc/90/04/37/1066900437.db2.gz OKPYOEHIQBJLGI-OAQYLSRUSA-N 0 0 484.048 4.558 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)nc2c1 ZINC001448107150 1066900550 /nfs/dbraw/zinc/90/05/50/1066900550.db2.gz VVKAITLPILSHHT-MNOVXSKESA-N 0 0 452.736 4.632 20 0 JJADRN C[C@@](O)(CCNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccccc1 ZINC001448109347 1066900571 /nfs/dbraw/zinc/90/05/71/1066900571.db2.gz HBNVHAZDNLGDIE-LADGPHEKSA-N 0 0 454.364 4.983 20 0 JJADRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448107762 1066900593 /nfs/dbraw/zinc/90/05/93/1066900593.db2.gz CJPQKQIGZVZWSK-VGSWGCGISA-N 0 0 454.954 4.787 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492730384 1066900718 /nfs/dbraw/zinc/90/07/18/1066900718.db2.gz VHWOHWWKPXOGDL-ZJSXRUAMSA-N 0 0 457.022 4.660 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1 ZINC001448112376 1066900811 /nfs/dbraw/zinc/90/08/11/1066900811.db2.gz BLKJRUYVGVKFPA-UHFFFAOYSA-N 0 0 451.426 4.928 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(F)c3)C2)n1 ZINC001492730858 1066901139 /nfs/dbraw/zinc/90/11/39/1066901139.db2.gz FQDMGCCDKWWDDY-OAQYLSRUSA-N 0 0 454.594 4.740 20 0 JJADRN CCn1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c(=O)c2cc(Cl)ccc21 ZINC001457709139 1066901265 /nfs/dbraw/zinc/90/12/65/1066901265.db2.gz NWZUCBWTDPRIOU-UHFFFAOYSA-N 0 0 459.933 4.857 20 0 JJADRN O=C(c1cc(I)ccc1O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448118753 1066901296 /nfs/dbraw/zinc/90/12/96/1066901296.db2.gz KOLJENFTWVSPPK-UHFFFAOYSA-N 0 0 455.242 4.595 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)n1 ZINC001492731053 1066901427 /nfs/dbraw/zinc/90/14/27/1066901427.db2.gz KNCZCBBAVSNBHQ-HXUWFJFHSA-N 0 0 470.691 4.739 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)Oc3cccc(F)c3)C2)n1 ZINC001492731120 1066901507 /nfs/dbraw/zinc/90/15/07/1066901507.db2.gz LQNWXYOEYOKCIA-RBBKRZOGSA-N 0 0 454.594 4.738 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3cccc(OCC(C)C)c3)C2)n1 ZINC001492730908 1066901581 /nfs/dbraw/zinc/90/15/81/1066901581.db2.gz GSEIROBKLLCVNS-HSZRJFAPSA-N 0 0 479.673 5.000 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCc3cc(C(F)(F)F)ccn3)C2)n1 ZINC001492730888 1066901619 /nfs/dbraw/zinc/90/16/19/1066901619.db2.gz GCBPAGHAIXZDEX-OAQYLSRUSA-N 0 0 475.563 4.788 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC001457709901 1066901704 /nfs/dbraw/zinc/90/17/04/1066901704.db2.gz SRTCXVMRZSQWCD-KSTDHSDQSA-N 0 0 452.389 4.675 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC001457710377 1066901746 /nfs/dbraw/zinc/90/17/46/1066901746.db2.gz DDJVRENNOIMODY-MSOLQXFVSA-N 0 0 457.665 4.797 20 0 JJADRN CC(=O)Nc1sc(NC(=O)c2n[nH]c3ccc(Br)cc32)nc1-c1ccccc1 ZINC001448119204 1066901880 /nfs/dbraw/zinc/90/18/80/1066901880.db2.gz JEBQRYXSVXSYKU-UHFFFAOYSA-N 0 0 456.325 4.660 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccncc4)n3CCCSCC(C)C)C2)n1 ZINC001492731282 1066902060 /nfs/dbraw/zinc/90/20/60/1066902060.db2.gz PTSGATBUBMWQTD-HSZRJFAPSA-N 0 0 467.687 4.698 20 0 JJADRN C[C@H](NC(=O)c1scc(Br)c1Br)c1ccc(-n2ccnc2)cc1 ZINC001457711053 1066902167 /nfs/dbraw/zinc/90/21/67/1066902167.db2.gz OUOKNTFAHZXHPM-JTQLQIEISA-N 0 0 455.175 4.950 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccccc2O[C@H]2CCOC2)nnc1-c1ccccc1 ZINC001457712528 1066902178 /nfs/dbraw/zinc/90/21/78/1066902178.db2.gz AMNAOLIPLVCPAQ-HKUYNNGSSA-N 0 0 452.580 4.815 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001492731292 1066902382 /nfs/dbraw/zinc/90/23/82/1066902382.db2.gz PZJXXAFDRNEUDJ-UHFFFAOYSA-N 0 0 494.684 4.612 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCSC1)NC(=O)OC(C)(C)C ZINC001546002922 1066902555 /nfs/dbraw/zinc/90/25/55/1066902555.db2.gz AAEIFBVYXGWDOA-RBUKOAKNSA-N 0 0 484.670 4.595 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccc(Cl)cc4Cl)n3CC(C)(C)O)C2)n1 ZINC001492731759 1066902820 /nfs/dbraw/zinc/90/28/20/1066902820.db2.gz WOEWDBOWQUEEPE-SFHVURJKSA-N 0 0 493.439 4.590 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2Cc2sccc2C)n1 ZINC001492731851 1066903264 /nfs/dbraw/zinc/90/32/64/1066903264.db2.gz DOHYZLFSSPLOOK-IBGZPJMESA-N 0 0 464.639 4.721 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cc(Br)cn2ccnc12 ZINC001457715373 1066903321 /nfs/dbraw/zinc/90/33/21/1066903321.db2.gz UTXWQTHDORPNCO-UHFFFAOYSA-N 0 0 450.161 4.883 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4C)n3CCCOCC(C)C)C2)n1 ZINC001492731529 1066903413 /nfs/dbraw/zinc/90/34/13/1066903413.db2.gz UHMDYYNUURIJJV-RUZDIDTESA-N 0 0 464.658 4.895 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546002965 1066903592 /nfs/dbraw/zinc/90/35/92/1066903592.db2.gz AZBKSLRAKVZVBZ-OALUTQOASA-N 0 0 471.627 4.821 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@@H]1C)Oc1cccc(F)c1 ZINC001546002971 1066903606 /nfs/dbraw/zinc/90/36/06/1066903606.db2.gz BBINHJUSAPUBIR-OXJNMPFZSA-N 0 0 473.618 4.634 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001448138097 1066904327 /nfs/dbraw/zinc/90/43/27/1066904327.db2.gz UBXOWLPTAGFUSJ-GOSISDBHSA-N 0 0 457.137 4.866 20 0 JJADRN O=Cc1cn(CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)nc1-c1ccccc1 ZINC001448138027 1066904409 /nfs/dbraw/zinc/90/44/09/1066904409.db2.gz SVBSVDSGHXVFSU-NRFANRHFSA-N 0 0 456.315 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)C1 ZINC001448144409 1066904469 /nfs/dbraw/zinc/90/44/69/1066904469.db2.gz NTGGLTDEKVXPHK-UPCLLVRISA-N 0 0 473.957 4.739 20 0 JJADRN COc1ccc(Br)cc1CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001457723102 1066904739 /nfs/dbraw/zinc/90/47/39/1066904739.db2.gz METYADQHXIYRHS-UHFFFAOYSA-N 0 0 458.331 4.591 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ncc(CC)o3)ccc2C)cc1 ZINC001448157435 1066904767 /nfs/dbraw/zinc/90/47/67/1066904767.db2.gz MBWFEWVRHYERHH-UHFFFAOYSA-N 0 0 455.580 4.619 20 0 JJADRN Cc1sc(NC(=O)CCNS(=O)(=O)c2ccccc2)nc1-c1cccc2ccccc21 ZINC001448152879 1066904828 /nfs/dbraw/zinc/90/48/28/1066904828.db2.gz DMHLIRRSFDPXRI-UHFFFAOYSA-N 0 0 451.573 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3nc(-c4ccccc4)c[nH]3)cs2)CC1 ZINC001457725071 1066905031 /nfs/dbraw/zinc/90/50/31/1066905031.db2.gz WWTJRVZNHPQIPQ-UHFFFAOYSA-N 0 0 453.568 4.900 20 0 JJADRN Cc1ccc(C(=O)NC(C)(C)C(=O)NCC2CCCCC2)cc1NC(=O)c1ccccc1F ZINC001457725282 1066905088 /nfs/dbraw/zinc/90/50/88/1066905088.db2.gz NOCYFQJIRFFOSB-UHFFFAOYSA-N 0 0 453.558 4.591 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CCSC(F)(F)F)n1 ZINC001492732691 1066905686 /nfs/dbraw/zinc/90/56/86/1066905686.db2.gz TYCUCGNWXYAMIV-HNNXBMFYSA-N 0 0 456.513 4.729 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1 ZINC001457729346 1066905711 /nfs/dbraw/zinc/90/57/11/1066905711.db2.gz VBMWMGNGAQHNOJ-NRFANRHFSA-N 0 0 451.548 4.511 20 0 JJADRN O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001448163916 1066905837 /nfs/dbraw/zinc/90/58/37/1066905837.db2.gz OTRMVMIWTZNIHH-UHFFFAOYSA-N 0 0 450.411 4.659 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2Cc2sc(C)nc2C)n1 ZINC001492732858 1066906034 /nfs/dbraw/zinc/90/60/34/1066906034.db2.gz XCGQPBMNQLYJSE-INIZCTEOSA-N 0 0 471.581 4.737 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001492732763 1066906141 /nfs/dbraw/zinc/90/61/41/1066906141.db2.gz VJAIAOOIVAOXMH-QFQXNSOFSA-N 0 0 450.631 4.587 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001492732761 1066906255 /nfs/dbraw/zinc/90/62/55/1066906255.db2.gz VJAIAOOIVAOXMH-HFZDXXHNSA-N 0 0 450.631 4.587 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@H]1Oc1ccccc1 ZINC001448169173 1066906555 /nfs/dbraw/zinc/90/65/55/1066906555.db2.gz YHSUIQIWSOSUDC-AKFKNWHVSA-N 0 0 453.970 4.556 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCCN(c4ccccc4)C3)n2CC(C)(C)C(C)C)n1 ZINC001492733362 1066906946 /nfs/dbraw/zinc/90/69/46/1066906946.db2.gz ITDIHFLMMRLOEI-DEOSSOPVSA-N 0 0 463.674 4.927 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001448174712 1066907066 /nfs/dbraw/zinc/90/70/66/1066907066.db2.gz RLHVENLZZNPKKR-MRXNPFEDSA-N 0 0 454.958 4.836 20 0 JJADRN Cc1cccc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)c1NC(=O)c1ccccc1F ZINC001457737325 1066907217 /nfs/dbraw/zinc/90/72/17/1066907217.db2.gz RGLOEDKNJYXXOD-KRWDZBQOSA-N 0 0 458.493 4.970 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492733617 1066907612 /nfs/dbraw/zinc/90/76/12/1066907612.db2.gz OLKBUQAITOCEOR-APWZRJJASA-N 0 0 455.676 4.957 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001457738297 1066907728 /nfs/dbraw/zinc/90/77/28/1066907728.db2.gz LXAWLMIDIADALT-FPOVZHCZSA-N 0 0 458.942 4.540 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001448181274 1066907715 /nfs/dbraw/zinc/90/77/15/1066907715.db2.gz YUIZLPNIIICWBY-OAQYLSRUSA-N 0 0 450.844 4.744 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)n1 ZINC001492734509 1066907779 /nfs/dbraw/zinc/90/77/79/1066907779.db2.gz PNVHDWZLTGERAE-SFHVURJKSA-N 0 0 461.614 4.713 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC2CCC(F)(F)CC2)n1 ZINC001492734492 1066907910 /nfs/dbraw/zinc/90/79/10/1066907910.db2.gz OTVJSGHDKORMQA-UHFFFAOYSA-N 0 0 499.610 4.657 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)OCc1noc(-c2cccc(Cl)c2)n1 ZINC001457741241 1066908203 /nfs/dbraw/zinc/90/82/03/1066908203.db2.gz NAGXXCHXUQTHDT-UHFFFAOYSA-N 0 0 458.095 4.928 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001492734874 1066908253 /nfs/dbraw/zinc/90/82/53/1066908253.db2.gz BSTBSWOUGADHIJ-UHFFFAOYSA-N 0 0 499.088 4.821 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Br)cs3)n2CCC(C)(F)F)n1 ZINC001492734983 1066908344 /nfs/dbraw/zinc/90/83/44/1066908344.db2.gz GGCNDDZHMMXZIL-UHFFFAOYSA-N 0 0 473.391 4.645 20 0 JJADRN Cn1c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)nc2cccc(Cl)c21 ZINC001457742677 1066908558 /nfs/dbraw/zinc/90/85/58/1066908558.db2.gz BDGSATGRPMBDEC-UHFFFAOYSA-N 0 0 456.836 4.715 20 0 JJADRN Cc1nc2cc(C(=O)NC[C@@H](O)c3cccc(Br)c3)ccc2n1-c1ccccc1 ZINC001448197097 1066909064 /nfs/dbraw/zinc/90/90/64/1066909064.db2.gz WYHJMANGJXDXKZ-JOCHJYFZSA-N 0 0 450.336 4.560 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)OCc3noc(-c4cccc(Cl)c4)n3)CC2=O)cc1 ZINC001457743233 1066909011 /nfs/dbraw/zinc/90/90/11/1066909011.db2.gz SKGARNDUCLEGLS-SFHVURJKSA-N 0 0 453.926 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(-c3c[nH]nn3)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001457743736 1066909041 /nfs/dbraw/zinc/90/90/41/1066909041.db2.gz SHCIVWLHDUUUGH-UXHICEINSA-N 0 0 467.957 4.714 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](COC)C1)Oc1cccc(F)c1 ZINC001546003479 1066909285 /nfs/dbraw/zinc/90/92/85/1066909285.db2.gz KGOAWKVLACMEIL-KNQAVFIVSA-N 0 0 487.645 4.883 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3OCCC(F)(F)F)n[nH]2)cc1 ZINC001448201222 1066909358 /nfs/dbraw/zinc/90/93/58/1066909358.db2.gz SWLFUOHLEXPWRR-UHFFFAOYSA-N 0 0 454.449 4.981 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@H]2CCC[C@H]2C)n1 ZINC001492735609 1066909468 /nfs/dbraw/zinc/90/94/68/1066909468.db2.gz CHOXXMLBOLRDAT-PBHICJAKSA-N 0 0 461.408 4.568 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC2CCOCC2)n1 ZINC001492736035 1066909948 /nfs/dbraw/zinc/90/99/48/1066909948.db2.gz RWDNGUIUSBGSMV-UHFFFAOYSA-N 0 0 475.012 4.775 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC[C@H]2C[C@H](F)C2)n1 ZINC001492736008 1066909971 /nfs/dbraw/zinc/90/99/71/1066909971.db2.gz QTIRUTLHVMXNBX-KESTWPANSA-N 0 0 464.511 4.933 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCOC1)Oc1ccccc1F ZINC001546003680 1066910195 /nfs/dbraw/zinc/91/01/95/1066910195.db2.gz NYTSBSHBHUJHCW-PMACEKPBSA-N 0 0 458.603 4.790 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC001457748311 1066910200 /nfs/dbraw/zinc/91/02/00/1066910200.db2.gz HHNIBRYAFZVRHJ-OALUTQOASA-N 0 0 453.341 4.917 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001546003670 1066910210 /nfs/dbraw/zinc/91/02/10/1066910210.db2.gz NTYJOIBCOMEFFR-IFMALSPDSA-N 0 0 494.709 4.959 20 0 JJADRN O=C(Nc1ccc(OC(F)(F)F)cc1O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001457747553 1066910283 /nfs/dbraw/zinc/91/02/83/1066910283.db2.gz XYYXMYNGVFLUAN-MRXNPFEDSA-N 0 0 458.436 4.935 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)ccc1OCc1ccccc1 ZINC001448224923 1066910696 /nfs/dbraw/zinc/91/06/96/1066910696.db2.gz GGQBNNISSKRUEF-UHFFFAOYSA-N 0 0 454.954 4.604 20 0 JJADRN COC(=O)c1ccccc1CC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001457749745 1066910650 /nfs/dbraw/zinc/91/06/50/1066910650.db2.gz NXCZXLVZNXXODC-QFIPXVFZSA-N 0 0 456.311 4.823 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2C[C@@H]2CCO[C@H](C)C2)n1 ZINC001492736188 1066910772 /nfs/dbraw/zinc/91/07/72/1066910772.db2.gz XNNQEEYDMJORMV-IEBWSBKVSA-N 0 0 494.537 4.749 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(OC)C1)NC(=O)OC(C)(C)C ZINC001546003721 1066910948 /nfs/dbraw/zinc/91/09/48/1066910948.db2.gz OYKSFGHPVYFOFE-DCFHFQCYSA-N 0 0 496.656 4.659 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@H]2CC[C@H](F)C2)n1 ZINC001492736238 1066911069 /nfs/dbraw/zinc/91/10/69/1066911069.db2.gz YVMKOCORGVGWQC-QUCCMNQESA-N 0 0 464.511 4.933 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cc(I)ccc1Cl)C(C)(C)C ZINC001457752045 1066911228 /nfs/dbraw/zinc/91/12/28/1066911228.db2.gz FGKLRGYFFNOCSO-CYBMUJFWSA-N 0 0 451.732 4.887 20 0 JJADRN CN(CCO)Cc1cc(NC(=O)C(C)(C)Cc2ccc(Br)cc2)ccc1Cl ZINC001448227192 1066911278 /nfs/dbraw/zinc/91/12/78/1066911278.db2.gz NKUGYQFYELSFIT-UHFFFAOYSA-N 0 0 453.808 4.734 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546003807 1066911316 /nfs/dbraw/zinc/91/13/16/1066911316.db2.gz QMEXRRNNOBOYSR-XYJFISCASA-N 0 0 465.689 4.564 20 0 JJADRN CC[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546003851 1066911368 /nfs/dbraw/zinc/91/13/68/1066911368.db2.gz RFSQBZSPMLRMLY-SFTDATJTSA-N 0 0 496.656 4.659 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CC(C)(C)c2ccccn2)n1 ZINC001492736682 1066911579 /nfs/dbraw/zinc/91/15/79/1066911579.db2.gz OXKFHYVTZOWCAJ-UHFFFAOYSA-N 0 0 464.017 4.802 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(OC)cc1 ZINC001457752636 1066911572 /nfs/dbraw/zinc/91/15/72/1066911572.db2.gz BXAVEQJQJGPVAM-WPYKKVEZSA-N 0 0 456.970 4.678 20 0 JJADRN CC(C)Oc1cccnc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001457752211 1066911659 /nfs/dbraw/zinc/91/16/59/1066911659.db2.gz JRYJXGSUMKJVCX-UHFFFAOYSA-N 0 0 458.312 4.658 20 0 JJADRN COc1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)c(C)c(OC)c1 ZINC001448230326 1066911756 /nfs/dbraw/zinc/91/17/56/1066911756.db2.gz QIUKONPACADAHE-UHFFFAOYSA-N 0 0 451.704 4.522 20 0 JJADRN O=C(CCCOc1ccc(F)cc1F)Nc1cnc(Br)c(Br)c1 ZINC001457752846 1066912018 /nfs/dbraw/zinc/91/20/18/1066912018.db2.gz LDBILHBPTSBBSZ-UHFFFAOYSA-N 0 0 450.077 4.683 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@H](OC)C[C@H]3C)c2)cc1 ZINC001448231604 1066912015 /nfs/dbraw/zinc/91/20/15/1066912015.db2.gz UKYZTMRWGACDFA-KNQAVFIVSA-N 0 0 458.624 4.778 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3Cl)n2C[C@@H](C)c2nccs2)n1 ZINC001492736833 1066912061 /nfs/dbraw/zinc/91/20/61/1066912061.db2.gz VKGBGCDWKFUJCX-OAHLLOKOSA-N 0 0 456.019 4.690 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[C@@H](OC)C[C@@H]3C)c2)cc1 ZINC001448231609 1066912196 /nfs/dbraw/zinc/91/21/96/1066912196.db2.gz UKYZTMRWGACDFA-SIKLNZKXSA-N 0 0 458.624 4.778 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc(Cl)c(CN(C)CCO)c3)cc2)cc1 ZINC001448231117 1066912242 /nfs/dbraw/zinc/91/22/42/1066912242.db2.gz YNQNSTOJUXPKGB-UHFFFAOYSA-N 0 0 454.954 4.882 20 0 JJADRN CCC1(CC)Oc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2O1 ZINC001457753240 1066912276 /nfs/dbraw/zinc/91/22/76/1066912276.db2.gz RXFWALUDDXGPIW-UHFFFAOYSA-N 0 0 458.580 4.709 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492737038 1066912328 /nfs/dbraw/zinc/91/23/28/1066912328.db2.gz CNIVDXMQPPKXHN-DLBZAZTESA-N 0 0 467.565 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccsc3)n2Cc2ccc(OCC(C)C)cc2)n1 ZINC001492736986 1066912360 /nfs/dbraw/zinc/91/23/60/1066912360.db2.gz AQJMEPSHZNNFMT-UHFFFAOYSA-N 0 0 464.639 4.921 20 0 JJADRN O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(I)ccc1Cl ZINC001457753364 1066912333 /nfs/dbraw/zinc/91/23/33/1066912333.db2.gz PZJWODDEPAYPGX-UHFFFAOYSA-N 0 0 455.601 4.981 20 0 JJADRN O=C(Nc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)ccc1Cl)c1cccs1 ZINC001457753890 1066912369 /nfs/dbraw/zinc/91/23/69/1066912369.db2.gz JTLVKEIKJQVGGK-UHFFFAOYSA-N 0 0 452.923 4.520 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NC[C@@H]3CC(c4ccc(OC)cc4)=NO3)cs2)cc1 ZINC001448234645 1066912576 /nfs/dbraw/zinc/91/25/76/1066912576.db2.gz DKNCUKPJJGIDAJ-FQEVSTJZSA-N 0 0 451.548 4.531 20 0 JJADRN Cc1ccc(CNC(=O)C(F)(F)c2ccccc2Br)c(OC[C@H]2CCCO2)c1 ZINC001457755044 1066912667 /nfs/dbraw/zinc/91/26/67/1066912667.db2.gz PLZQXLUNPUBDIH-MRXNPFEDSA-N 0 0 454.311 4.724 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cc(C)cn3ccnc23)c1 ZINC001457757262 1066912704 /nfs/dbraw/zinc/91/27/04/1066912704.db2.gz ANAMBPVOLIQELS-UHFFFAOYSA-N 0 0 452.923 4.881 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1-c1ccc(F)cc1 ZINC001457756096 1066912735 /nfs/dbraw/zinc/91/27/35/1066912735.db2.gz TYAOADVMCURUDF-UHFFFAOYSA-N 0 0 450.495 4.554 20 0 JJADRN Cc1nc(COc2ccc(C(=O)Nc3cccc4c3CCN4C(=O)OC(C)(C)C)cc2)no1 ZINC001457754677 1066912748 /nfs/dbraw/zinc/91/27/48/1066912748.db2.gz MYEFTKYQGAPGGA-UHFFFAOYSA-N 0 0 450.495 4.507 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccoc3)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492737407 1066912909 /nfs/dbraw/zinc/91/29/09/1066912909.db2.gz RIRYPSZXHGUJEB-UHFFFAOYSA-N 0 0 462.451 4.575 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001457758212 1066913142 /nfs/dbraw/zinc/91/31/42/1066913142.db2.gz ZZYZXURGSJKTIR-VDZJLULYSA-N 0 0 452.860 4.518 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3ccc(Cl)cc3)n2Cc2ccncc2Cl)n1 ZINC001492738574 1066913254 /nfs/dbraw/zinc/91/32/54/1066913254.db2.gz BWZWSJSFFXGLHV-UHFFFAOYSA-N 0 0 470.408 4.569 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC001448237024 1066913437 /nfs/dbraw/zinc/91/34/37/1066913437.db2.gz AEFIURZRKSNMEJ-HSZRJFAPSA-N 0 0 458.942 4.852 20 0 JJADRN C[C@H](C(=O)Nc1ncc(C2(O)CCCCC2)s1)c1ccc(I)cc1 ZINC001457760787 1066913539 /nfs/dbraw/zinc/91/35/39/1066913539.db2.gz ITSOXJJLVUFFLC-LBPRGKRZSA-N 0 0 456.349 4.642 20 0 JJADRN C[C@@H](C(=O)Nc1ncc(C2(O)CCCCC2)s1)c1ccc(I)cc1 ZINC001457760785 1066913581 /nfs/dbraw/zinc/91/35/81/1066913581.db2.gz ITSOXJJLVUFFLC-GFCCVEGCSA-N 0 0 456.349 4.642 20 0 JJADRN CCOc1cc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)ccc1OCc1cccnc1 ZINC001457760857 1066913630 /nfs/dbraw/zinc/91/36/30/1066913630.db2.gz JOJUFXBPRIYMBB-UHFFFAOYSA-N 0 0 453.564 4.920 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H](C)Sc2ccccc2)n1 ZINC001492739238 1066913896 /nfs/dbraw/zinc/91/38/96/1066913896.db2.gz BACRJZZWORZVFL-HXUWFJFHSA-N 0 0 456.660 4.572 20 0 JJADRN COC(=O)c1cnc(N(C)C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)s1 ZINC001457764105 1066914060 /nfs/dbraw/zinc/91/40/60/1066914060.db2.gz MZJHEVMUKYONIW-UHFFFAOYSA-N 0 0 455.483 4.965 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492739136 1066914049 /nfs/dbraw/zinc/91/40/49/1066914049.db2.gz XDJFCCSMBFNOSN-NZQKXSOJSA-N 0 0 470.687 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001492739137 1066914101 /nfs/dbraw/zinc/91/41/01/1066914101.db2.gz XDJFCCSMBFNOSN-OFNKIYASSA-N 0 0 470.687 4.721 20 0 JJADRN CCC(CC)(C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1)C(=O)OC(C)(C)C ZINC001457767163 1066914319 /nfs/dbraw/zinc/91/43/19/1066914319.db2.gz CILMOISUWPWZQW-UHFFFAOYSA-N 0 0 458.584 4.874 20 0 JJADRN COC(=O)c1cnc(N(C)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)s1 ZINC001457766198 1066914398 /nfs/dbraw/zinc/91/43/98/1066914398.db2.gz QTUUOKVQLHUMGA-NSHDSACASA-N 0 0 451.957 4.523 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCCc3ccccc3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001492739399 1066914402 /nfs/dbraw/zinc/91/44/02/1066914402.db2.gz HPUQWPOJCJOZDO-MHZLTWQESA-N 0 0 464.658 4.540 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)C(=O)Cn2nnc3c2CCCC3)c(Br)c1 ZINC001448240316 1066914456 /nfs/dbraw/zinc/91/44/56/1066914456.db2.gz BUSFLKGEZHXPSS-UHFFFAOYSA-N 0 0 459.413 4.518 20 0 JJADRN COC(=O)c1cnc(N(C)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)s1 ZINC001457766188 1066914442 /nfs/dbraw/zinc/91/44/42/1066914442.db2.gz QTUUOKVQLHUMGA-LLVKDONJSA-N 0 0 451.957 4.523 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1Cc2cccc(Br)c2C1 ZINC001457768027 1066914474 /nfs/dbraw/zinc/91/44/74/1066914474.db2.gz FWQTXMIUCVGYAR-LBPRGKRZSA-N 0 0 451.158 4.963 20 0 JJADRN Cc1ccc(OCc2ccccc2)c(NC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001448240377 1066914511 /nfs/dbraw/zinc/91/45/11/1066914511.db2.gz CGAVUXQAYDTKSE-UHFFFAOYSA-N 0 0 454.567 4.929 20 0 JJADRN CCn1ncc(Br)c1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001457769120 1066914887 /nfs/dbraw/zinc/91/48/87/1066914887.db2.gz XPFIDDONHUSOJB-UHFFFAOYSA-N 0 0 453.178 4.900 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC[C@@H]2CCc3ccccc32)n1 ZINC001492740142 1066914870 /nfs/dbraw/zinc/91/48/70/1066914870.db2.gz JPTNQQOGDPXEOL-QFIPXVFZSA-N 0 0 450.631 4.511 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001546004058 1066915243 /nfs/dbraw/zinc/91/52/43/1066915243.db2.gz VOKJHCCRCRMXMO-CVEARBPZSA-N 0 0 453.033 4.648 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(-c4ccc(OC)cc4F)cc3F)C2)cc1 ZINC001448248430 1066915294 /nfs/dbraw/zinc/91/52/94/1066915294.db2.gz JRBHMOHAVHNPBJ-LJQANCHMSA-N 0 0 452.457 4.572 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCCN2C ZINC001457771677 1066915548 /nfs/dbraw/zinc/91/55/48/1066915548.db2.gz WELWIZIIJUEUDI-GOSISDBHSA-N 0 0 450.366 4.605 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c(C)c1 ZINC001457771428 1066915628 /nfs/dbraw/zinc/91/56/28/1066915628.db2.gz UMGPOMDAARUTBW-UHFFFAOYSA-N 0 0 451.508 4.526 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC001457771561 1066915695 /nfs/dbraw/zinc/91/56/95/1066915695.db2.gz BSJFPLBHHQSVNQ-JOCHJYFZSA-N 0 0 456.455 4.561 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 ZINC001546004127 1066915643 /nfs/dbraw/zinc/91/56/43/1066915643.db2.gz WRRWMEVVACAQPF-PKOBYXMFSA-N 0 0 492.615 4.900 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(Br)cs1 ZINC001457773484 1066915974 /nfs/dbraw/zinc/91/59/74/1066915974.db2.gz LEBMWSOADTWYNO-CYBMUJFWSA-N 0 0 451.169 4.722 20 0 JJADRN O=C(c1cc(Br)cn2ccnc12)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457773506 1066916092 /nfs/dbraw/zinc/91/60/92/1066916092.db2.gz LLKVBKLBDIDVAT-CYBMUJFWSA-N 0 0 455.139 4.697 20 0 JJADRN CC(C)(C)c1ccc2[nH]c(C(=O)N3CCNC(=O)[C@@H]3c3ccc(Br)cc3)cc2c1 ZINC001448279691 1066916123 /nfs/dbraw/zinc/91/61/23/1066916123.db2.gz OANXEFBCHSUEGB-FQEVSTJZSA-N 0 0 454.368 4.541 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc21 ZINC001448289516 1066916177 /nfs/dbraw/zinc/91/61/77/1066916177.db2.gz BUJXVRBVLCHANU-OAQYLSRUSA-N 0 0 450.377 4.616 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@](C)(O)c2ccsc2)n1 ZINC001492741104 1066916687 /nfs/dbraw/zinc/91/66/87/1066916687.db2.gz SHQDCNVDLXZIBK-RUZDIDTESA-N 0 0 482.629 4.663 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)[nH]c21 ZINC001448295820 1066916690 /nfs/dbraw/zinc/91/66/90/1066916690.db2.gz MPWXMJZQRDBJIU-NRFANRHFSA-N 0 0 450.377 4.616 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCSC2(C)C)n1 ZINC001492741081 1066916757 /nfs/dbraw/zinc/91/67/57/1066916757.db2.gz RSAFTKAFBNWBKV-SFHVURJKSA-N 0 0 470.609 4.840 20 0 JJADRN Cc1cc2cn[nH]c2c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)c1 ZINC001448292656 1066916772 /nfs/dbraw/zinc/91/67/72/1066916772.db2.gz GVTOZZCQGSECNR-HXUWFJFHSA-N 0 0 454.958 4.959 20 0 JJADRN O=C(N[C@H](CCO)Cc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC001448325488 1066917148 /nfs/dbraw/zinc/91/71/48/1066917148.db2.gz ZOFNDJLBWOHTQA-OAQYLSRUSA-N 0 0 454.364 4.752 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2Cc2ccc(OC(F)F)cc2)n1 ZINC001492741295 1066917199 /nfs/dbraw/zinc/91/71/99/1066917199.db2.gz XGPRNJAQFHXWIH-UHFFFAOYSA-N 0 0 470.524 4.797 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775950 1066917412 /nfs/dbraw/zinc/91/74/12/1066917412.db2.gz WAFVYAFUVBRHCZ-SFHVURJKSA-N 0 0 458.345 4.659 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C2CCC2)cc1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457775906 1066917539 /nfs/dbraw/zinc/91/75/39/1066917539.db2.gz VVXXIXZBLMMVBZ-MRXNPFEDSA-N 0 0 454.375 4.613 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(N2C(=O)CCNC2=O)c1C ZINC001448334790 1066917584 /nfs/dbraw/zinc/91/75/84/1066917584.db2.gz SOMFBTZKZCNUHR-UHFFFAOYSA-N 0 0 454.939 4.779 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)cc1C ZINC001448335439 1066917631 /nfs/dbraw/zinc/91/76/31/1066917631.db2.gz VBXPWXAURVBHDM-UHFFFAOYSA-N 0 0 455.514 4.541 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC001448330945 1066917641 /nfs/dbraw/zinc/91/76/41/1066917641.db2.gz FZFLCNFUVZAYTJ-BZNIZROVSA-N 0 0 459.203 4.542 20 0 JJADRN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(OC(F)F)nc1 ZINC001448341552 1066917695 /nfs/dbraw/zinc/91/76/95/1066917695.db2.gz DSCDRDDRJPONDF-CQSZACIVSA-N 0 0 453.445 4.549 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(C)c(Br)c1 ZINC001457779332 1066917784 /nfs/dbraw/zinc/91/77/84/1066917784.db2.gz BJZAMGAPRMPOJC-QGZVFWFLSA-N 0 0 459.167 4.969 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc(C(N)=O)s1 ZINC001457778009 1066917811 /nfs/dbraw/zinc/91/78/11/1066917811.db2.gz DMTRJYUQMVUTRR-VIFPVBQESA-N 0 0 450.383 4.532 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001457778141 1066917944 /nfs/dbraw/zinc/91/79/44/1066917944.db2.gz GUPQAURQGHOSIE-RDTXWAMCSA-N 0 0 454.514 4.549 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492742769 1066917837 /nfs/dbraw/zinc/91/78/37/1066917837.db2.gz SGEKZHNXHFBUSP-PKOBYXMFSA-N 0 0 490.574 4.892 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCc2ccc(Cl)s2)n1 ZINC001492742527 1066917861 /nfs/dbraw/zinc/91/78/61/1066917861.db2.gz DGPZZDOWQOXJJX-UHFFFAOYSA-N 0 0 470.952 4.796 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](c4ccccc4)C[C@H]3C)n2CCSCC(C)C)n1 ZINC001492742808 1066918058 /nfs/dbraw/zinc/91/80/58/1066918058.db2.gz SQIFCOMMUZHLQZ-NFBKMPQASA-N 0 0 452.672 4.911 20 0 JJADRN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)C1 ZINC001448345892 1066917924 /nfs/dbraw/zinc/91/79/24/1066917924.db2.gz CYUWEDMVIAEUQI-BPAFIMBUSA-N 0 0 458.990 4.550 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1noc2c1CCc1ccccc1-2 ZINC001457779565 1066917958 /nfs/dbraw/zinc/91/79/58/1066917958.db2.gz CXBQXCDYJVIEPP-IBGZPJMESA-N 0 0 459.329 4.651 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@@H](C)Oc2ccccc2C)n1 ZINC001492743083 1066918418 /nfs/dbraw/zinc/91/84/18/1066918418.db2.gz VNAXQTBXPLEKAM-PGRDOPGGSA-N 0 0 450.631 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)n2CCCC(C)(C)C)n1 ZINC001492742846 1066918488 /nfs/dbraw/zinc/91/84/88/1066918488.db2.gz SZHLBUQUEGIYGF-JTHBVZDNSA-N 0 0 450.631 4.932 20 0 JJADRN COCc1ncc(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)s1 ZINC001457783434 1066918750 /nfs/dbraw/zinc/91/87/50/1066918750.db2.gz HBOVSCSVCSXNOW-JTQLQIEISA-N 0 0 452.399 4.975 20 0 JJADRN CN(CCOc1cccc(C(=O)Nc2nc(-c3ccccc3F)co2)c1)C(=O)OC(C)(C)C ZINC001457783567 1066918935 /nfs/dbraw/zinc/91/89/35/1066918935.db2.gz DJVTWUZCSFIAKU-UHFFFAOYSA-N 0 0 455.486 4.979 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)o2)cc1 ZINC001457782629 1066918952 /nfs/dbraw/zinc/91/89/52/1066918952.db2.gz OWUOCUUFMFXVGA-UHFFFAOYSA-N 0 0 453.564 4.676 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c3nc[nH]c3ccc2F)cc1 ZINC001448354269 1066919013 /nfs/dbraw/zinc/91/90/13/1066919013.db2.gz MPPILEZTTXVFLB-HXUWFJFHSA-N 0 0 452.530 4.699 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)n1 ZINC001492744018 1066919304 /nfs/dbraw/zinc/91/93/04/1066919304.db2.gz DXCMQYGQVHKYRU-GEOZSUPMSA-N 0 0 499.704 4.876 20 0 JJADRN O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC001457787047 1066919674 /nfs/dbraw/zinc/91/96/74/1066919674.db2.gz DUGBPTMLBIFCBU-CQSZACIVSA-N 0 0 454.901 4.846 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)CC2 ZINC001448359915 1066919757 /nfs/dbraw/zinc/91/97/57/1066919757.db2.gz OPTZNDDZIAWTDB-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001492744036 1066919893 /nfs/dbraw/zinc/91/98/93/1066919893.db2.gz FPMQIHIPSKESGI-IBGZPJMESA-N 0 0 450.631 4.848 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCc4c(F)cc(Br)cc4C3)o2)cc1 ZINC001457787512 1066919925 /nfs/dbraw/zinc/91/99/25/1066919925.db2.gz DIUPFFRFDHYAGK-UHFFFAOYSA-N 0 0 459.315 4.769 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492744454 1066920074 /nfs/dbraw/zinc/92/00/74/1066920074.db2.gz OZXHMSARKCOLRI-HXUWFJFHSA-N 0 0 460.548 4.884 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(C)C)CC3)n2Cc2ccsc2Br)n1 ZINC001492744541 1066920204 /nfs/dbraw/zinc/92/02/04/1066920204.db2.gz RMAMOEHADVSNBM-UHFFFAOYSA-N 0 0 477.476 4.884 20 0 JJADRN Cn1cc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c(-c2ccc(Cl)s2)n1 ZINC001457787849 1066920131 /nfs/dbraw/zinc/92/01/31/1066920131.db2.gz DOCRILHDFHAZLI-UHFFFAOYSA-N 0 0 452.849 4.654 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC001457787926 1066920269 /nfs/dbraw/zinc/92/02/69/1066920269.db2.gz MHTGSNKLKDTVRS-CYFREDJKSA-N 0 0 456.633 4.510 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001457788222 1066920288 /nfs/dbraw/zinc/92/02/88/1066920288.db2.gz OMYZMQCCAMUDSC-UHFFFAOYSA-N 0 0 456.539 4.765 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCO[C@H]2CCCC[C@@H]2C)n1 ZINC001492744441 1066920228 /nfs/dbraw/zinc/92/02/28/1066920228.db2.gz OVQMMEVSGUWHBM-JXFKEZNVSA-N 0 0 468.568 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)NC(C)(C)COCc3ccccc3)cccc2C1 ZINC001448369551 1066920347 /nfs/dbraw/zinc/92/03/47/1066920347.db2.gz LMHDODIEYGSKPZ-UHFFFAOYSA-N 0 0 452.595 4.634 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001546005350 1066920685 /nfs/dbraw/zinc/92/06/85/1066920685.db2.gz AKONOTVREANXQP-DNQXCXABSA-N 0 0 497.684 4.620 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC001448371039 1066920694 /nfs/dbraw/zinc/92/06/94/1066920694.db2.gz HWRMSQQIOVHYPN-RTBURBONSA-N 0 0 451.304 4.534 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492745197 1066921046 /nfs/dbraw/zinc/92/10/46/1066921046.db2.gz JDCXSCJHCHMLBS-XZOQPEGZSA-N 0 0 499.704 4.659 20 0 JJADRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)[nH]1 ZINC001457790571 1066921117 /nfs/dbraw/zinc/92/11/17/1066921117.db2.gz WSITVQCTKMRCNK-OGHNNQOOSA-N 0 0 454.402 4.647 20 0 JJADRN COc1ccc2cc(C(=O)Nc3cc(O)c(Br)cc3Br)cnc2c1 ZINC001457789548 1066921273 /nfs/dbraw/zinc/92/12/73/1066921273.db2.gz UNJOYSJLXCBPIF-UHFFFAOYSA-N 0 0 452.102 4.726 20 0 JJADRN C[C@@H](Sc1ccccc1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)C(N)=O ZINC001457790595 1066921368 /nfs/dbraw/zinc/92/13/68/1066921368.db2.gz QVCDVNDOABOBIV-GFCCVEGCSA-N 0 0 452.486 4.726 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2sccc2C)n1 ZINC001492745546 1066921359 /nfs/dbraw/zinc/92/13/59/1066921359.db2.gz RRYFTAKLKVQDLU-UHFFFAOYSA-N 0 0 452.550 4.727 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448383174 1066921635 /nfs/dbraw/zinc/92/16/35/1066921635.db2.gz BXEWAWKJJMCOCJ-SCTDSRPQSA-N 0 0 456.302 4.984 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc(Cl)cc1Br ZINC001457791052 1066921739 /nfs/dbraw/zinc/92/17/39/1066921739.db2.gz NXICENIPCYYHHV-IBGZPJMESA-N 0 0 450.760 4.929 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2cc(O)c(Br)cc2Br)cc1 ZINC001457790765 1066921760 /nfs/dbraw/zinc/92/17/60/1066921760.db2.gz ZHMLXULSKYEADQ-UHFFFAOYSA-N 0 0 458.106 4.738 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001457790905 1066921829 /nfs/dbraw/zinc/92/18/29/1066921829.db2.gz NWYKMGSSDSSAFJ-STQMWFEESA-N 0 0 456.346 4.927 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1coc(-c2ccccc2)n1 ZINC001448389327 1066922004 /nfs/dbraw/zinc/92/20/04/1066922004.db2.gz KOVPAYQYFHEAMG-OAHLLOKOSA-N 0 0 455.230 4.586 20 0 JJADRN Cc1cccc(CC(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1Cl ZINC001448385597 1066922105 /nfs/dbraw/zinc/92/21/05/1066922105.db2.gz DSNSPSLPMIOEAI-HNNXBMFYSA-N 0 0 450.682 4.822 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CC(F)(F)c2ccccc2)n1 ZINC001492746683 1066922275 /nfs/dbraw/zinc/92/22/75/1066922275.db2.gz XQDKGNDQJGBHPW-UHFFFAOYSA-N 0 0 467.351 4.831 20 0 JJADRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001457792681 1066922334 /nfs/dbraw/zinc/92/23/34/1066922334.db2.gz DOVXXTMQGRFGJP-UHFFFAOYSA-N 0 0 457.368 4.819 20 0 JJADRN Cn1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c2cc(F)ccc21 ZINC001448397403 1066922412 /nfs/dbraw/zinc/92/24/12/1066922412.db2.gz SLLWYKFMFCIPPK-INIZCTEOSA-N 0 0 459.237 4.562 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC001448389797 1066922494 /nfs/dbraw/zinc/92/24/94/1066922494.db2.gz LZAJUKJPMVJLFV-XUVXKRRUSA-N 0 0 463.416 4.658 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(Br)ccc1OC(F)F ZINC001457796170 1066922670 /nfs/dbraw/zinc/92/26/70/1066922670.db2.gz SCNWEFFTIHOMSG-UHFFFAOYSA-N 0 0 456.070 4.561 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)[C@H](C)OC[C@H]1CCCO1 ZINC001457795574 1066922762 /nfs/dbraw/zinc/92/27/62/1066922762.db2.gz QRFXGJXJVIUEPM-AEGPPILISA-N 0 0 453.402 4.642 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1)OC ZINC001546005488 1066922916 /nfs/dbraw/zinc/92/29/16/1066922916.db2.gz CSXHYWLCLJODEZ-SFHVURJKSA-N 0 0 463.445 4.949 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492748285 1066923059 /nfs/dbraw/zinc/92/30/59/1066923059.db2.gz AWKVTSGNVLFKBE-MRXNPFEDSA-N 0 0 462.520 4.713 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)CC3)n2Cc2sccc2Br)n1 ZINC001492748686 1066923142 /nfs/dbraw/zinc/92/31/42/1066923142.db2.gz LJZMCQLEONGWPV-CQSZACIVSA-N 0 0 463.449 4.638 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492749155 1066923816 /nfs/dbraw/zinc/92/38/16/1066923816.db2.gz VJYQGGXOOXAABS-LJQANCHMSA-N 0 0 450.631 4.739 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546005565 1066923810 /nfs/dbraw/zinc/92/38/10/1066923810.db2.gz FBVDIMRNTXANFR-VXKWHMMOSA-N 0 0 487.714 4.944 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)OC ZINC001546005570 1066923818 /nfs/dbraw/zinc/92/38/18/1066923818.db2.gz FGIKFOVPQFPTPL-PWRODBHTSA-N 0 0 463.667 4.565 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492749154 1066923971 /nfs/dbraw/zinc/92/39/71/1066923971.db2.gz VJYQGGXOOXAABS-IBGZPJMESA-N 0 0 450.631 4.739 20 0 JJADRN Cc1noc(C)c1CCCNC(=O)c1cc(I)c(Cl)cc1Cl ZINC001457803467 1066924010 /nfs/dbraw/zinc/92/40/10/1066924010.db2.gz OUWKRPYMPGQHMD-UHFFFAOYSA-N 0 0 453.107 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)[C@@H](c2cccnc2)C1 ZINC001448405620 1066924138 /nfs/dbraw/zinc/92/41/38/1066924138.db2.gz PTJXARABBSDTBZ-GOSISDBHSA-N 0 0 451.901 4.647 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1CSC)NC(=O)OC(C)(C)C ZINC001546005616 1066924212 /nfs/dbraw/zinc/92/42/12/1066924212.db2.gz GBHOVZGBBSLCTQ-NHCUHLMSSA-N 0 0 473.687 4.698 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@@H](C)S1(=O)=O ZINC001457804014 1066924169 /nfs/dbraw/zinc/92/41/69/1066924169.db2.gz HQPJKXNSGJRMOZ-PBHICJAKSA-N 0 0 454.564 4.783 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2Cc2ccc(F)c(Cl)c2)n1 ZINC001492749230 1066924259 /nfs/dbraw/zinc/92/42/59/1066924259.db2.gz WTTCUMOQDIRJTR-MRXNPFEDSA-N 0 0 470.902 4.759 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC001457805675 1066924372 /nfs/dbraw/zinc/92/43/72/1066924372.db2.gz SQPJUFXYIRLMHQ-ZBFHGGJFSA-N 0 0 450.398 4.854 20 0 JJADRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC001457805533 1066924381 /nfs/dbraw/zinc/92/43/81/1066924381.db2.gz GBBGTNHTXOQZSD-FQEVSTJZSA-N 0 0 451.592 4.676 20 0 JJADRN CCc1c(C(=O)N[C@H](CC)Cc2ccccc2Br)cnn1-c1ccc(OC)cc1 ZINC001457804964 1066924397 /nfs/dbraw/zinc/92/43/97/1066924397.db2.gz QQDFGULLJXTWKW-QGZVFWFLSA-N 0 0 456.384 4.957 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC001448408570 1066924403 /nfs/dbraw/zinc/92/44/03/1066924403.db2.gz YBBYRYWXFITLHS-CQSZACIVSA-N 0 0 450.377 4.697 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC001457805668 1066924463 /nfs/dbraw/zinc/92/44/63/1066924463.db2.gz SQPJUFXYIRLMHQ-GOEBONIOSA-N 0 0 450.398 4.854 20 0 JJADRN O=C(NC1(Cc2ccc(F)cc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457805111 1066924548 /nfs/dbraw/zinc/92/45/48/1066924548.db2.gz LHCUEQNWJPSYCV-UHFFFAOYSA-N 0 0 458.942 4.785 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC001448408413 1066924674 /nfs/dbraw/zinc/92/46/74/1066924674.db2.gz HVFLFJSIEHPFKX-YEJXKQKISA-N 0 0 451.976 4.864 20 0 JJADRN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(Br)cc(C)c2C)c1 ZINC001448406853 1066924684 /nfs/dbraw/zinc/92/46/84/1066924684.db2.gz UFVYAOGLZFHQNX-UHFFFAOYSA-N 0 0 453.402 4.705 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc2c(cc1Br)OCO2 ZINC001457807040 1066924840 /nfs/dbraw/zinc/92/48/40/1066924840.db2.gz WOTIZFHGSYALRE-LBPRGKRZSA-N 0 0 455.146 4.691 20 0 JJADRN Cc1nc2cc(NC(=O)[C@@H](C)CC(=O)c3cccc(Br)c3)ccc2n1[C@H](C)CO ZINC001457807318 1066924876 /nfs/dbraw/zinc/92/48/76/1066924876.db2.gz RIBCXSYNZBALQY-UONOGXRCSA-N 0 0 458.356 4.508 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C(C)C)n2CCc2ccc(Br)cc2)n1 ZINC001492750041 1066925095 /nfs/dbraw/zinc/92/50/95/1066925095.db2.gz OPNSGTTUNDOIME-NRFANRHFSA-N 0 0 471.447 4.770 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492750099 1066925107 /nfs/dbraw/zinc/92/51/07/1066925107.db2.gz PVVPJVBQOIHWNU-GHTZIAJQSA-N 0 0 470.687 4.864 20 0 JJADRN CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001546005708 1066925377 /nfs/dbraw/zinc/92/53/77/1066925377.db2.gz HOVHUAIDTGFQCL-NHKQPKSZSA-N 0 0 483.657 4.897 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457808535 1066925499 /nfs/dbraw/zinc/92/54/99/1066925499.db2.gz YPDMEJZTTUJOMV-FQEVSTJZSA-N 0 0 450.457 4.735 20 0 JJADRN NC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)cc1 ZINC001448411682 1066925444 /nfs/dbraw/zinc/92/54/44/1066925444.db2.gz HKTKGSGGVJGNNQ-UHFFFAOYSA-N 0 0 458.287 4.801 20 0 JJADRN CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C ZINC001546005799 1066925490 /nfs/dbraw/zinc/92/54/90/1066925490.db2.gz JNMMZSMNRCYWDJ-NRFANRHFSA-N 0 0 471.646 4.756 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NC2CC(c3ccccc3)C2)C1 ZINC001448413138 1066925564 /nfs/dbraw/zinc/92/55/64/1066925564.db2.gz JGGNSGNDADGIED-LWEYNCJUSA-N 0 0 455.396 4.672 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N[C@](C)(C(N)=O)c3cccc(Cl)c3)s2)cc1 ZINC001457809584 1066925820 /nfs/dbraw/zinc/92/58/20/1066925820.db2.gz ZNEMUJNFAJWXNP-QHCPKHFHSA-N 0 0 457.983 4.555 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@H]1COc2ccc(Cl)cc21 ZINC001457810869 1066925896 /nfs/dbraw/zinc/92/58/96/1066925896.db2.gz IEDXDQFMLGIWCZ-WMZOPIPTSA-N 0 0 456.848 4.527 20 0 JJADRN C[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001457813488 1066926250 /nfs/dbraw/zinc/92/62/50/1066926250.db2.gz FOSNYMIZZAMTLQ-DYESRHJHSA-N 0 0 459.384 4.688 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC001448425599 1066926307 /nfs/dbraw/zinc/92/63/07/1066926307.db2.gz BCWVZXMCFRXBNT-INIZCTEOSA-N 0 0 451.272 4.905 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCCC2CCCC2)n1 ZINC001492752185 1066926479 /nfs/dbraw/zinc/92/64/79/1066926479.db2.gz DVEDDDCSDRBBON-NRFANRHFSA-N 0 0 485.677 4.556 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4Cl)CC3)n2CCCC(C)(C)C)n1 ZINC001492752429 1066926491 /nfs/dbraw/zinc/92/64/91/1066926491.db2.gz NFORKEIVXZBGSS-UHFFFAOYSA-N 0 0 470.065 4.946 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001546005975 1066926411 /nfs/dbraw/zinc/92/64/11/1066926411.db2.gz MTNVLHPLIOIECL-NRFANRHFSA-N 0 0 471.646 4.959 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001448432292 1066926630 /nfs/dbraw/zinc/92/66/30/1066926630.db2.gz DPEXMEWUUUSORR-HFZDXXHNSA-N 0 0 459.606 4.653 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@H](NCc1ccccc1)C(F)(F)F ZINC001457814646 1066927044 /nfs/dbraw/zinc/92/70/44/1066927044.db2.gz OZYRVNDTHVGFQZ-IBGZPJMESA-N 0 0 451.876 4.765 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)n2CCC(C)(F)F)n1 ZINC001492755452 1066927244 /nfs/dbraw/zinc/92/72/44/1066927244.db2.gz ZUOPMOHQCOIXOD-IBGZPJMESA-N 0 0 482.938 4.555 20 0 JJADRN CNC(=O)COc1ccc(NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)c(C)c1 ZINC001448438120 1066927709 /nfs/dbraw/zinc/92/77/09/1066927709.db2.gz OOLPORIFTJZBNF-UHFFFAOYSA-N 0 0 450.347 4.802 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)nn1C(C)C ZINC001457818357 1066927641 /nfs/dbraw/zinc/92/76/41/1066927641.db2.gz IEIAZIJYCWSPCG-UHFFFAOYSA-N 0 0 452.986 4.967 20 0 JJADRN CC(C)Cn1nccc1C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457819907 1066927919 /nfs/dbraw/zinc/92/79/19/1066927919.db2.gz KPPDYOKEQPYXMU-UHFFFAOYSA-N 0 0 452.986 4.734 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C(\CC)c1ccc(OC)cc1 ZINC001457820104 1066927955 /nfs/dbraw/zinc/92/79/55/1066927955.db2.gz RWVVUOHQFULJIW-KNTRCKAVSA-N 0 0 454.567 4.761 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(C)(F)F)c3)C2)n1 ZINC001492756428 1066928028 /nfs/dbraw/zinc/92/80/28/1066928028.db2.gz ALTOSWLLBAGUSB-HXUWFJFHSA-N 0 0 471.600 4.861 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC001448442494 1066928139 /nfs/dbraw/zinc/92/81/39/1066928139.db2.gz ATIXNTWOBCMYMS-LSDHHAIUSA-N 0 0 451.386 4.644 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCSc2ccccc2)n1 ZINC001492756994 1066928367 /nfs/dbraw/zinc/92/83/67/1066928367.db2.gz QZNIMAGITVLKEW-DNVCBOLYSA-N 0 0 464.561 4.567 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCN(C)c3ccccc3)C2)n1 ZINC001492757174 1066928419 /nfs/dbraw/zinc/92/84/19/1066928419.db2.gz BQFWTCHBNXOCDI-QHCPKHFHSA-N 0 0 478.689 4.518 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCCOc2ccc(F)cc2)n1 ZINC001492757472 1066928758 /nfs/dbraw/zinc/92/87/58/1066928758.db2.gz YSYREOJSSRCTBW-HDICACEKSA-N 0 0 490.574 4.866 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@H]3CCCO[C@H]3C(C)(C)C)CC2)n1 ZINC001492757948 1066929358 /nfs/dbraw/zinc/92/93/58/1066929358.db2.gz RFVUPXGICGFBCX-DHIUTWEWSA-N 0 0 456.679 4.973 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c2cccnc12 ZINC001457829202 1066929357 /nfs/dbraw/zinc/92/93/57/1066929357.db2.gz LMYPJYNTHPYCBG-UHFFFAOYSA-N 0 0 457.408 4.556 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC001457828712 1066929490 /nfs/dbraw/zinc/92/94/90/1066929490.db2.gz OIXNTAQVQBAJOM-RUZDIDTESA-N 0 0 452.558 4.667 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)n1 ZINC001457828278 1066929513 /nfs/dbraw/zinc/92/95/13/1066929513.db2.gz LQKIKVMCWIXSMU-DNQXCXABSA-N 0 0 474.605 4.523 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cnc(-c2ccccc2)s1 ZINC001457830075 1066929850 /nfs/dbraw/zinc/92/98/50/1066929850.db2.gz FBMLYJXEMNEOFW-UHFFFAOYSA-N 0 0 456.409 4.967 20 0 JJADRN O=C([C@H]1C[C@@H](c2ccccc2)OC1=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001448461033 1066929831 /nfs/dbraw/zinc/92/98/31/1066929831.db2.gz USHQFZKBDSHNLV-APWZRJJASA-N 0 0 451.416 4.677 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCSC(C)C)C2)n1 ZINC001492758033 1066929842 /nfs/dbraw/zinc/92/98/42/1066929842.db2.gz SSMIZPPHUAFDTP-QHCPKHFHSA-N 0 0 497.713 4.740 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccc2cncc(Br)c2n1 ZINC001457832752 1066930135 /nfs/dbraw/zinc/93/01/35/1066930135.db2.gz RTBFWYXKXJLPBJ-UHFFFAOYSA-N 0 0 450.340 4.631 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)c1C(F)F ZINC001448465379 1066930149 /nfs/dbraw/zinc/93/01/49/1066930149.db2.gz MLFFDWLQWNODIF-KRWDZBQOSA-N 0 0 454.399 4.897 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H](c3ccccc3)C(F)(F)F)c2)C1 ZINC001457832611 1066930269 /nfs/dbraw/zinc/93/02/69/1066930269.db2.gz DRBVNEQLXKGNDA-FTRWYGJKSA-N 0 0 455.498 4.814 20 0 JJADRN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001448461331 1066930392 /nfs/dbraw/zinc/93/03/92/1066930392.db2.gz GOXNXNUEGLUJCF-VWLOTQADSA-N 0 0 459.933 4.587 20 0 JJADRN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001448461950 1066930408 /nfs/dbraw/zinc/93/04/08/1066930408.db2.gz UNUCAQTVRLZMLP-OAQYLSRUSA-N 0 0 454.640 4.549 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C2)n1 ZINC001492757809 1066930429 /nfs/dbraw/zinc/93/04/29/1066930429.db2.gz NQKQQHAQVDYZBZ-QGZVFWFLSA-N 0 0 463.964 4.769 20 0 JJADRN C[S@](=O)c1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1 ZINC001457834181 1066930602 /nfs/dbraw/zinc/93/06/02/1066930602.db2.gz AFHBCPUXLFFKHK-WHUARKNTSA-N 0 0 458.580 4.803 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCSc3ccccc3)CCO2)n1 ZINC001492759416 1066930784 /nfs/dbraw/zinc/93/07/84/1066930784.db2.gz DWORQPICIDTZPW-QFIPXVFZSA-N 0 0 482.698 4.768 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC=CCC1 ZINC001457834696 1066931096 /nfs/dbraw/zinc/93/10/96/1066931096.db2.gz RUYFWWABTBXEMJ-AREMUKBSSA-N 0 0 452.526 4.762 20 0 JJADRN O=C([C@H]1CC[C@H](Nc2cnccn2)CC1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001448477092 1066930987 /nfs/dbraw/zinc/93/09/87/1066930987.db2.gz PTAXZMXRXGBBLL-QAQDUYKDSA-N 0 0 450.480 4.954 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001546006543 1066931198 /nfs/dbraw/zinc/93/11/98/1066931198.db2.gz XHINCZDQHIKRTK-DHIUTWEWSA-N 0 0 483.657 4.892 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCCOC(C)C)CCO2)n1 ZINC001492758922 1066931156 /nfs/dbraw/zinc/93/11/56/1066931156.db2.gz QDEKMFKEJVZRAG-HSZRJFAPSA-N 0 0 487.048 4.522 20 0 JJADRN CC[C@H](COCC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC001457837049 1066931137 /nfs/dbraw/zinc/93/11/37/1066931137.db2.gz WQNMXVQTNMFAFV-CJNGLKHVSA-N 0 0 457.320 4.612 20 0 JJADRN CC[C@@H](COCC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC001457836766 1066931151 /nfs/dbraw/zinc/93/11/51/1066931151.db2.gz WQNMXVQTNMFAFV-BBRMVZONSA-N 0 0 457.320 4.612 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c1)c1ccccc1 ZINC001457841005 1066931478 /nfs/dbraw/zinc/93/14/78/1066931478.db2.gz YGIREODAWHFFEG-QGZVFWFLSA-N 0 0 450.560 4.692 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001546006561 1066931535 /nfs/dbraw/zinc/93/15/35/1066931535.db2.gz XLUWEXUNYUGQGI-JAXLGGSGSA-N 0 0 455.647 4.991 20 0 JJADRN Nc1c(I)cccc1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC001448482555 1066931579 /nfs/dbraw/zinc/93/15/79/1066931579.db2.gz YNJWPYBZMPEBGB-UHFFFAOYSA-N 0 0 458.702 4.628 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(C)C)CCO2)n1 ZINC001492759580 1066931558 /nfs/dbraw/zinc/93/15/58/1066931558.db2.gz HYFRITRZTQSRTF-FQEVSTJZSA-N 0 0 471.049 4.999 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(F)(F)F)CC2)n1 ZINC001492758971 1066931690 /nfs/dbraw/zinc/93/16/90/1066931690.db2.gz RJIIFFJQCXSKDM-UHFFFAOYSA-N 0 0 484.473 4.839 20 0 JJADRN C[C@@](O)(CNC(=O)c1cnc(-c2cccc(Cl)c2)s1)c1ccccc1Br ZINC001448485026 1066931829 /nfs/dbraw/zinc/93/18/29/1066931829.db2.gz CGBRWFMLHMBUPJ-LJQANCHMSA-N 0 0 451.773 4.864 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)CC[C@H]1c1ccc(F)cc1 ZINC001457846716 1066931875 /nfs/dbraw/zinc/93/18/75/1066931875.db2.gz BWDRHIPOZDXNTM-BHDDXSALSA-N 0 0 453.558 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001448485806 1066931924 /nfs/dbraw/zinc/93/19/24/1066931924.db2.gz JTEMSQXMPJNHHS-YSIASYRMSA-N 0 0 480.447 4.618 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC001448485459 1066931950 /nfs/dbraw/zinc/93/19/50/1066931950.db2.gz LQCDSATVAAFFSE-UONOGXRCSA-N 0 0 452.374 4.847 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492760302 1066932055 /nfs/dbraw/zinc/93/20/55/1066932055.db2.gz AMHYIJQJFRJAJA-UHFFFAOYSA-N 0 0 495.981 4.577 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC001492760027 1066932260 /nfs/dbraw/zinc/93/22/60/1066932260.db2.gz TUTKXAHEBHKTRC-NRFANRHFSA-N 0 0 476.547 4.902 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3)nnc2N(C)Cc2ccc(Br)o2)n1 ZINC001492760415 1066932383 /nfs/dbraw/zinc/93/23/83/1066932383.db2.gz DTAIEJBARCEBBP-UHFFFAOYSA-N 0 0 469.387 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)C1 ZINC001448488398 1066932337 /nfs/dbraw/zinc/93/23/37/1066932337.db2.gz HVKLUGIMDZRZBN-QGZVFWFLSA-N 0 0 456.480 4.750 20 0 JJADRN COc1cc2[nH]c(CCCNC(=O)[C@H](C)Oc3ccc(C(F)(F)F)cc3)cc2c(OC)c1 ZINC001457854208 1066932253 /nfs/dbraw/zinc/93/22/53/1066932253.db2.gz IIHKOVVYZFFKOC-AWEZNQCLSA-N 0 0 450.457 4.720 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)n1 ZINC001492760445 1066932640 /nfs/dbraw/zinc/93/26/40/1066932640.db2.gz FZMRKEWWFHVWNC-UHFFFAOYSA-N 0 0 479.373 4.765 20 0 JJADRN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448490689 1066932746 /nfs/dbraw/zinc/93/27/46/1066932746.db2.gz WFTNBHGXKHGXBG-INIZCTEOSA-N 0 0 451.464 4.790 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC001448490591 1066932788 /nfs/dbraw/zinc/93/27/88/1066932788.db2.gz ZURIWPIKINWTJN-AWEZNQCLSA-N 0 0 453.376 4.897 20 0 JJADRN O=C(CCN1C(=O)CCNC1=S)Nc1ccc(Cl)cc1-c1cccc(Cl)c1Cl ZINC001448489284 1066932801 /nfs/dbraw/zinc/93/28/01/1066932801.db2.gz RATBXJZNNOOSST-UHFFFAOYSA-N 0 0 456.782 4.749 20 0 JJADRN Cc1ccc(/C=C\c2cc(C(=O)NC[C@@H]3CCC[C@H]3O)c3cc(Br)ccc3n2)o1 ZINC001457858983 1066932770 /nfs/dbraw/zinc/93/27/70/1066932770.db2.gz JQIMHEDCWYOISQ-NRDOYJRKSA-N 0 0 455.352 4.960 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)n1 ZINC001492760564 1066932758 /nfs/dbraw/zinc/93/27/58/1066932758.db2.gz JVKYFNBBLICYKX-UHFFFAOYSA-N 0 0 467.362 4.703 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492760512 1066932867 /nfs/dbraw/zinc/93/28/67/1066932867.db2.gz IAAZULPUYMSHEP-XXBNENTESA-N 0 0 493.656 4.507 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCOc1ccc(Cl)cn1)CC1CCCCC1 ZINC001457860366 1066932869 /nfs/dbraw/zinc/93/28/69/1066932869.db2.gz GHSGVNRKBIUTDV-IBGZPJMESA-N 0 0 454.011 4.874 20 0 JJADRN C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001448493809 1066933184 /nfs/dbraw/zinc/93/31/84/1066933184.db2.gz FHSBRGVWMABOIP-IUODEOHRSA-N 0 0 455.502 4.701 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001457866124 1066933284 /nfs/dbraw/zinc/93/32/84/1066933284.db2.gz FOVIAIMJRZKOLB-UHFFFAOYSA-N 0 0 455.358 4.990 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC001457868029 1066933303 /nfs/dbraw/zinc/93/33/03/1066933303.db2.gz OMSDSWGUWWCSTM-CEWLAPEOSA-N 0 0 450.645 4.737 20 0 JJADRN COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC001448496193 1066933495 /nfs/dbraw/zinc/93/34/95/1066933495.db2.gz OXPCFHCFMBPHBP-QXJATUPPSA-N 0 0 459.489 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCc2nc(-c3ccccc3F)cs2)C1 ZINC001448500209 1066933642 /nfs/dbraw/zinc/93/36/42/1066933642.db2.gz HOWJEJVUVSCXDT-QGZVFWFLSA-N 0 0 459.587 4.993 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001457868014 1066933635 /nfs/dbraw/zinc/93/36/35/1066933635.db2.gz HDPYMQZTEKJEKD-YADHBBJMSA-N 0 0 456.464 4.978 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC[C@@H]1c1ccc(C)o1 ZINC001457868128 1066933646 /nfs/dbraw/zinc/93/36/46/1066933646.db2.gz QMWGDPREEHDNMO-IAGOWNOFSA-N 0 0 454.445 4.508 20 0 JJADRN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1c2c(sc1-n1cccc1)CSCC2 ZINC001457869799 1066933655 /nfs/dbraw/zinc/93/36/55/1066933655.db2.gz MBPVFLFXUXVODK-UHFFFAOYSA-N 0 0 453.511 4.551 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc2[nH]c(N(C)C)nc2c1 ZINC001448499435 1066933783 /nfs/dbraw/zinc/93/37/83/1066933783.db2.gz DKRUDJBKBMTZDW-UHFFFAOYSA-N 0 0 455.444 4.742 20 0 JJADRN CCCc1cc(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)sc1C ZINC001448502924 1066934055 /nfs/dbraw/zinc/93/40/55/1066934055.db2.gz JXYTUEOXGMESCY-UHFFFAOYSA-N 0 0 459.413 4.610 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CCOc3cc(Cl)ccc3Cl)CC2)c1 ZINC001457871940 1066934028 /nfs/dbraw/zinc/93/40/28/1066934028.db2.gz DMIXKPPLTAGATB-UHFFFAOYSA-N 0 0 453.366 4.518 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc(-c2ccccc2Cl)on1 ZINC001448503842 1066934164 /nfs/dbraw/zinc/93/41/64/1066934164.db2.gz CHMPGXAQGITQCP-UHFFFAOYSA-N 0 0 457.715 4.873 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001448505101 1066934486 /nfs/dbraw/zinc/93/44/86/1066934486.db2.gz ITUQABFAGDQWLC-UHFFFAOYSA-N 0 0 450.340 4.572 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001448506222 1066934518 /nfs/dbraw/zinc/93/45/18/1066934518.db2.gz ORFNKYLPODQLFF-UHFFFAOYSA-N 0 0 450.336 4.743 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C(C)C)n1 ZINC001492761869 1066934597 /nfs/dbraw/zinc/93/45/97/1066934597.db2.gz YWVJOOBDPKMYJM-PKTZIBPZSA-N 0 0 499.704 4.921 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001492762381 1066934978 /nfs/dbraw/zinc/93/49/78/1066934978.db2.gz PSBNOYFMUIPXEM-UHFFFAOYSA-N 0 0 480.510 4.679 20 0 JJADRN N[C@](C(=O)NCc1ccc(COc2ccc(F)cc2)cc1)(c1cccc(F)c1)C(F)(F)F ZINC001457881361 1066935429 /nfs/dbraw/zinc/93/54/29/1066935429.db2.gz QCPRYKSACHQZGM-QFIPXVFZSA-N 0 0 450.407 4.577 20 0 JJADRN Cc1cc(C)n(CCCn2c(Nc3cnn(C)c3)nnc2-c2ccc(Br)cc2Cl)n1 ZINC001492762482 1066935481 /nfs/dbraw/zinc/93/54/81/1066935481.db2.gz SUQLNVLXTCPWEM-UHFFFAOYSA-N 0 0 489.809 4.742 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N[C@@H](CC3CCCC3)c3ccccc3)=NO2)C1 ZINC001546007414 1066935535 /nfs/dbraw/zinc/93/55/35/1066935535.db2.gz VWWGMHGLISHKGP-HFZDXXHNSA-N 0 0 455.599 4.970 20 0 JJADRN Cc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)n[nH]c1C(C)C ZINC001457883634 1066935602 /nfs/dbraw/zinc/93/56/02/1066935602.db2.gz AFHLPGLDIXMAAV-MRXNPFEDSA-N 0 0 451.365 4.809 20 0 JJADRN C[C@H](Sc1nc(CC(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cs1)C(N)=O ZINC001457883666 1066935633 /nfs/dbraw/zinc/93/56/33/1066935633.db2.gz CCUWFHAFMJADKT-DJJJIMSYSA-N 0 0 452.045 4.743 20 0 JJADRN COc1cc(F)c(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c(Cl)c1 ZINC001457884330 1066935648 /nfs/dbraw/zinc/93/56/48/1066935648.db2.gz KDNPMQARTRCWAW-VIFPVBQESA-N 0 0 454.683 4.791 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc(CSc3ccc(Cl)cc3)n1CC(C)(C)C(F)(F)F)C2 ZINC001492763580 1066935788 /nfs/dbraw/zinc/93/57/88/1066935788.db2.gz IIVVYVHLHFRXAN-UHFFFAOYSA-N 0 0 485.967 4.732 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001448522886 1066935948 /nfs/dbraw/zinc/93/59/48/1066935948.db2.gz WHYOYUMHJSKECX-APWZRJJASA-N 0 0 456.302 4.735 20 0 JJADRN CC(C)(C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448530847 1066936002 /nfs/dbraw/zinc/93/60/02/1066936002.db2.gz HLFUWMBNYKHTEF-FQEVSTJZSA-N 0 0 450.410 4.992 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C(F)(F)F)CCO2)o1 ZINC001492764886 1066936207 /nfs/dbraw/zinc/93/62/07/1066936207.db2.gz RCRYJGLAJLDBKC-OAHLLOKOSA-N 0 0 488.873 4.595 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)[C@H](OCC3CCCC3)c3ccccc3)CC2)c1 ZINC001457884860 1066936153 /nfs/dbraw/zinc/93/61/53/1066936153.db2.gz VCASTSDBYMSFJW-AREMUKBSSA-N 0 0 452.595 4.691 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC001448532741 1066936271 /nfs/dbraw/zinc/93/62/71/1066936271.db2.gz AHSCSAZNKBYEKC-SFHVURJKSA-N 0 0 453.539 4.604 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC001448534526 1066936343 /nfs/dbraw/zinc/93/63/43/1066936343.db2.gz ISFRROXELZAAJM-QGZVFWFLSA-N 0 0 456.564 4.545 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001448533194 1066936510 /nfs/dbraw/zinc/93/65/10/1066936510.db2.gz DOEZHXSQXVMOMF-AUSIDOKSSA-N 0 0 453.583 4.662 20 0 JJADRN C[C@H](NC(=O)CCc1cnc2ccccc2c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457887649 1066936389 /nfs/dbraw/zinc/93/63/89/1066936389.db2.gz UYNGFQRMLTZWLX-AWEZNQCLSA-N 0 0 451.324 4.857 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1NC(=O)NC(C)(C)C ZINC001448538455 1066937149 /nfs/dbraw/zinc/93/71/49/1066937149.db2.gz XZGYUUSBMJNKTQ-KRWDZBQOSA-N 0 0 452.555 4.705 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492765548 1066937222 /nfs/dbraw/zinc/93/72/22/1066937222.db2.gz KBLUEDYDFKPJSW-STQMWFEESA-N 0 0 467.039 4.861 20 0 JJADRN Cc1nc(SCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)[nH]c1Cc1ccccc1 ZINC001457893993 1066937598 /nfs/dbraw/zinc/93/75/98/1066937598.db2.gz MWLXZCYGQUXIMK-LSTHTHJFSA-N 0 0 471.667 4.910 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)s1 ZINC001492765716 1066937795 /nfs/dbraw/zinc/93/77/95/1066937795.db2.gz OUBBIWOXAPUFCT-UHFFFAOYSA-N 0 0 471.375 4.592 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCC[C@H](C)C2)s1 ZINC001492765756 1066937810 /nfs/dbraw/zinc/93/78/10/1066937810.db2.gz QLOCDAMEPBQSOY-AWEZNQCLSA-N 0 0 461.433 4.737 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)ccc1Br ZINC001448543620 1066937875 /nfs/dbraw/zinc/93/78/75/1066937875.db2.gz RZKAGSIXNASNIH-HNJRGHQBSA-N 0 0 463.416 4.924 20 0 JJADRN Cc1nnc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccco2)s1 ZINC001492765848 1066938038 /nfs/dbraw/zinc/93/80/38/1066938038.db2.gz UGUZHBJEKIWNGF-OAHLLOKOSA-N 0 0 456.547 4.579 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)ns2)C1 ZINC001457897172 1066938064 /nfs/dbraw/zinc/93/80/64/1066938064.db2.gz XRXLWXWJSMFMAN-MRXNPFEDSA-N 0 0 458.381 4.590 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 ZINC001457899721 1066938271 /nfs/dbraw/zinc/93/82/71/1066938271.db2.gz CIZNFHFISBMPIA-FQEVSTJZSA-N 0 0 450.645 4.691 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](COC(C)C)C2)s1 ZINC001492765999 1066938343 /nfs/dbraw/zinc/93/83/43/1066938343.db2.gz YNYMIAHFVAIKSK-QFIPXVFZSA-N 0 0 498.697 4.666 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001448551611 1066938939 /nfs/dbraw/zinc/93/89/39/1066938939.db2.gz TZUXFDHFEHVYLQ-XMMPIXPASA-N 0 0 454.530 4.601 20 0 JJADRN Cc1cc(-c2noc([C@H](C)NC(=O)C3=Cc4cc(Br)ccc4OC3)n2)ccc1F ZINC001457904639 1066939316 /nfs/dbraw/zinc/93/93/16/1066939316.db2.gz NKMUZIFICNPBHH-LBPRGKRZSA-N 0 0 458.287 4.600 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)cc21 ZINC001457906869 1066939650 /nfs/dbraw/zinc/93/96/50/1066939650.db2.gz RXBGGKYRMIDSFT-KRWDZBQOSA-N 0 0 456.384 4.603 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H](C)c2nccs2)s1 ZINC001492767004 1066939804 /nfs/dbraw/zinc/93/98/04/1066939804.db2.gz CQNOBEDSTCSLKJ-SZVBFZGTSA-N 0 0 489.715 4.686 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001448568121 1066939918 /nfs/dbraw/zinc/93/99/18/1066939918.db2.gz YAJGMPMOSJTOQF-XJKSGUPXSA-N 0 0 453.370 4.679 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1=O ZINC001457909918 1066940034 /nfs/dbraw/zinc/94/00/34/1066940034.db2.gz GHQJZADIOIBHEH-QRWLVFNGSA-N 0 0 454.876 4.854 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(F)cc2)s1 ZINC001492767429 1066940107 /nfs/dbraw/zinc/94/01/07/1066940107.db2.gz QTFIAUYNTONZEJ-TZIWHRDSSA-N 0 0 472.634 4.765 20 0 JJADRN CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NC(C)(C)c2cccc(Cl)c2F)C1(C)C ZINC001457910293 1066940152 /nfs/dbraw/zinc/94/01/52/1066940152.db2.gz WTRVDYAGPDHBRA-MWTRTKDXSA-N 0 0 456.986 4.929 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001492767433 1066940661 /nfs/dbraw/zinc/94/06/61/1066940661.db2.gz QYNGQJPOJDYGBH-UHFFFAOYSA-N 0 0 498.056 4.951 20 0 JJADRN CCOC(=O)c1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1 ZINC001457915015 1066941041 /nfs/dbraw/zinc/94/10/41/1066941041.db2.gz ZHNOTDUNXPBYMJ-UHFFFAOYSA-N 0 0 452.319 4.853 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)s1 ZINC001492767785 1066940867 /nfs/dbraw/zinc/94/08/67/1066940867.db2.gz ZRRKXQOEOPKSQJ-BSWQBHCVSA-N 0 0 490.718 4.631 20 0 JJADRN Cc1nnc(CCCn2c(Nc3cnn(C)c3)nnc2[C@@H](C)Oc2c(C)cc(Cl)cc2C)s1 ZINC001492767703 1066941008 /nfs/dbraw/zinc/94/10/08/1066941008.db2.gz XVCNJNNSFKQIDG-OAHLLOKOSA-N 0 0 487.033 4.958 20 0 JJADRN Cc1nc(NC(=O)c2cccc(CNc3ccncn3)c2)sc1Cc1ccc(F)cc1F ZINC001448607419 1066941421 /nfs/dbraw/zinc/94/14/21/1066941421.db2.gz MFGBHDRAEGBFCA-UHFFFAOYSA-N 0 0 451.502 4.975 20 0 JJADRN Cc1ccc(-n2cc(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)c(C(C)(C)C)n2)cc1 ZINC001457916345 1066941544 /nfs/dbraw/zinc/94/15/44/1066941544.db2.gz WJSMMNKDNKHVPA-UHFFFAOYSA-N 0 0 457.477 4.738 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](CC(C)C)C2)s1 ZINC001492768203 1066941432 /nfs/dbraw/zinc/94/14/32/1066941432.db2.gz PWWARZCBPIQCAE-FUHWJXTLSA-N 0 0 458.607 4.832 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001448605334 1066941564 /nfs/dbraw/zinc/94/15/64/1066941564.db2.gz HNXTYEKLNXLOIZ-UHFFFAOYSA-N 0 0 454.695 4.673 20 0 JJADRN O=C(N[C@@H]1CCCN(CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916831 1066941580 /nfs/dbraw/zinc/94/15/80/1066941580.db2.gz XKGGEAYCUKQCBC-MRXNPFEDSA-N 0 0 453.389 4.612 20 0 JJADRN C[C@H](OC(=O)c1cnn(-c2ccccc2)c1I)c1cc(F)cc(F)c1 ZINC001457920683 1066941767 /nfs/dbraw/zinc/94/17/67/1066941767.db2.gz XSYXNIQYVAGLON-NSHDSACASA-N 0 0 454.214 4.673 20 0 JJADRN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@H](OCC(C)C)C2)s1 ZINC001492768049 1066941782 /nfs/dbraw/zinc/94/17/82/1066941782.db2.gz MAZSJNYVISKCSN-OXJNMPFZSA-N 0 0 491.061 4.725 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N2CCCC(C)(C)C2)s1 ZINC001492768211 1066941807 /nfs/dbraw/zinc/94/18/07/1066941807.db2.gz QCSPSKDEVDXXCA-UHFFFAOYSA-N 0 0 467.462 4.798 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC001448611067 1066941953 /nfs/dbraw/zinc/94/19/53/1066941953.db2.gz HCHAQTAHTUEDQS-UHFFFAOYSA-N 0 0 457.534 4.656 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492768153 1066941940 /nfs/dbraw/zinc/94/19/40/1066941940.db2.gz OUJMGRZBTDUAMB-KBPBESRZSA-N 0 0 493.500 4.749 20 0 JJADRN O=C(Nc1cc(C(=O)Nc2cncc(OCC(F)(F)F)n2)ccc1Cl)c1cccs1 ZINC001457924583 1066942262 /nfs/dbraw/zinc/94/22/62/1066942262.db2.gz JODNFKGEEJLWID-UHFFFAOYSA-N 0 0 456.833 4.637 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)s1 ZINC001492768294 1066942345 /nfs/dbraw/zinc/94/23/45/1066942345.db2.gz SORFCHVGKGBMKE-HUUCEWRRSA-N 0 0 487.630 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)Cc2ccccc21 ZINC001457927043 1066942416 /nfs/dbraw/zinc/94/24/16/1066942416.db2.gz FYPKADMVEINHOS-CQSZACIVSA-N 0 0 455.864 4.850 20 0 JJADRN Cc1nnc(CCn2c(CC(C)C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC001492768851 1066942688 /nfs/dbraw/zinc/94/26/88/1066942688.db2.gz JWNNRFGKNWADSS-QGZVFWFLSA-N 0 0 459.689 4.843 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(Nc4cccc(Br)c4)CC3)cc2C1 ZINC001448617145 1066942816 /nfs/dbraw/zinc/94/28/16/1066942816.db2.gz NRXKZQPPAKGMQT-HNNXBMFYSA-N 0 0 458.400 4.781 20 0 JJADRN CC(C)[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1Cc2ccccc2C1=O ZINC001448618449 1066942861 /nfs/dbraw/zinc/94/28/61/1066942861.db2.gz BNRKGAARRFPJLJ-CBGDNZLLSA-N 0 0 459.359 4.631 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)C1CCCC1 ZINC001448617476 1066942912 /nfs/dbraw/zinc/94/29/12/1066942912.db2.gz SSSMRXUFSZVUOP-HSZRJFAPSA-N 0 0 452.595 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)CCCC[C@H]12 ZINC001448617958 1066942933 /nfs/dbraw/zinc/94/29/33/1066942933.db2.gz BQRKAUBVFFHECQ-NXVXYNHZSA-N 0 0 450.526 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)C1 ZINC001457933904 1066943362 /nfs/dbraw/zinc/94/33/62/1066943362.db2.gz ANVKCVRAHUPRDX-FQEVSTJZSA-N 0 0 454.615 4.771 20 0 JJADRN Cc1nnc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)c2ccccc2)s1 ZINC001492770542 1066943558 /nfs/dbraw/zinc/94/35/58/1066943558.db2.gz WYRFKTOZXQKARE-UCNVEGJOSA-N 0 0 468.671 4.839 20 0 JJADRN C[C@H](Oc1ccnc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)c1)c1ccccc1 ZINC001457937800 1066943877 /nfs/dbraw/zinc/94/38/77/1066943877.db2.gz VKKXYYGHQCSATP-KRWDZBQOSA-N 0 0 454.486 4.827 20 0 JJADRN CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(F)cccc1Cl ZINC001457936773 1066943887 /nfs/dbraw/zinc/94/38/87/1066943887.db2.gz BFABKXGXQIWNOY-FQEVSTJZSA-N 0 0 453.963 4.891 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC(C)(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)CCO1 ZINC001546095209 1066943923 /nfs/dbraw/zinc/94/39/23/1066943923.db2.gz IRATUDSMXWEBKN-AREMUKBSSA-N 0 0 453.631 4.659 20 0 JJADRN COc1cc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)ccc1Cl ZINC001448621584 1066943973 /nfs/dbraw/zinc/94/39/73/1066943973.db2.gz NSFBTWHEMNELDY-UHFFFAOYSA-N 0 0 451.939 4.869 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CC(C)C)n2Cc2c(C)sc(C)c2Br)CCO1 ZINC001546095272 1066944224 /nfs/dbraw/zinc/94/42/24/1066944224.db2.gz JRNYSFKDCAYEMS-HXUWFJFHSA-N 0 0 455.466 4.971 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(OC(C)C)CC2)s1 ZINC001492771916 1066944286 /nfs/dbraw/zinc/94/42/86/1066944286.db2.gz VVDBVDXHSWLSAA-UHFFFAOYSA-N 0 0 491.459 4.618 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N2CCCC[C@@H](C)C2)s1 ZINC001492771780 1066944394 /nfs/dbraw/zinc/94/43/94/1066944394.db2.gz UCBCBMMCYXFIJQ-LLVKDONJSA-N 0 0 453.435 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)C1 ZINC001448623071 1066944721 /nfs/dbraw/zinc/94/47/21/1066944721.db2.gz RQYCAAREKJWEPM-AQNXPRMDSA-N 0 0 458.505 4.795 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCSC(C)(C)C2)s1 ZINC001492772082 1066944774 /nfs/dbraw/zinc/94/47/74/1066944774.db2.gz XSAACOVPCIISPB-UHFFFAOYSA-N 0 0 499.891 4.901 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)Cc2cccs2)s1 ZINC001492772243 1066944931 /nfs/dbraw/zinc/94/49/31/1066944931.db2.gz UBCOQFYIJXBNGO-UHFFFAOYSA-N 0 0 479.404 4.753 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)s1 ZINC001492772282 1066944963 /nfs/dbraw/zinc/94/49/63/1066944963.db2.gz VCUYFLCECOCJPB-IRXDYDNUSA-N 0 0 495.422 4.637 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492773386 1066945239 /nfs/dbraw/zinc/94/52/39/1066945239.db2.gz FIYMQYCWGWKMNO-HOTGVXAUSA-N 0 0 472.684 4.693 20 0 JJADRN O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001457946137 1066945498 /nfs/dbraw/zinc/94/54/98/1066945498.db2.gz HJIPIKUOGPQVPL-UHFFFAOYSA-N 0 0 458.371 4.519 20 0 JJADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001457945641 1066945612 /nfs/dbraw/zinc/94/56/12/1066945612.db2.gz BRGCSUYURRMODE-QHCPKHFHSA-N 0 0 459.304 4.764 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492773992 1066945641 /nfs/dbraw/zinc/94/56/41/1066945641.db2.gz YGNCCNNWKQCOHA-IRXDYDNUSA-N 0 0 454.644 4.845 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)s1 ZINC001492773826 1066945790 /nfs/dbraw/zinc/94/57/90/1066945790.db2.gz SSJNNWLZDSKZGY-OWDMVUQNSA-N 0 0 476.597 4.881 20 0 JJADRN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC001448631823 1066945845 /nfs/dbraw/zinc/94/58/45/1066945845.db2.gz ULYOBVXQZFHXSP-NRFANRHFSA-N 0 0 450.988 4.623 20 0 JJADRN COC(=O)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1F ZINC001457947819 1066945977 /nfs/dbraw/zinc/94/59/77/1066945977.db2.gz KZHCESFLOUBBQW-GOSISDBHSA-N 0 0 453.322 4.829 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(F)cc1F ZINC001457948929 1066946256 /nfs/dbraw/zinc/94/62/56/1066946256.db2.gz AJNGCDMLWXHZGX-GOSISDBHSA-N 0 0 458.958 4.966 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001448652336 1066946431 /nfs/dbraw/zinc/94/64/31/1066946431.db2.gz QAEWDSUOWHIZEB-DWXRJYCRSA-N 0 0 454.542 4.517 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c1 ZINC001448655036 1066946911 /nfs/dbraw/zinc/94/69/11/1066946911.db2.gz AMXUNLWHXBSQCG-WIYYLYMNSA-N 0 0 456.514 4.668 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001492777345 1066946941 /nfs/dbraw/zinc/94/69/41/1066946941.db2.gz UMCSGDJPUVMJSR-UHFFFAOYSA-N 0 0 457.594 4.584 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1csc(-c2ncccc2F)n1 ZINC001457953617 1066947521 /nfs/dbraw/zinc/94/75/21/1066947521.db2.gz SOXUGBQZRDFHPM-UHFFFAOYSA-N 0 0 450.470 4.666 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)s2)n1Cc1ccc(OC2CCCC2)nc1 ZINC001492780100 1066947532 /nfs/dbraw/zinc/94/75/32/1066947532.db2.gz BZEMNKUGFVYZDY-UHFFFAOYSA-N 0 0 462.417 4.812 20 0 JJADRN O=C(C[C@@H]1CCc2sccc2C1=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448669841 1066947660 /nfs/dbraw/zinc/94/76/60/1066947660.db2.gz JCSCLQRFZVDUJZ-AWEZNQCLSA-N 0 0 453.482 4.604 20 0 JJADRN O=C(C[C@H]1CCc2sccc2C1=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448669842 1066947672 /nfs/dbraw/zinc/94/76/72/1066947672.db2.gz JCSCLQRFZVDUJZ-CQSZACIVSA-N 0 0 453.482 4.604 20 0 JJADRN O=C(Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)c1ccc(F)cc1 ZINC001457955255 1066947938 /nfs/dbraw/zinc/94/79/38/1066947938.db2.gz XMBKPZQPPGBSTJ-UHFFFAOYSA-N 0 0 450.485 4.582 20 0 JJADRN CCC[C@@H](NC(=O)CCOc1cccc(I)c1)c1ccc(F)cc1F ZINC001457955450 1066947952 /nfs/dbraw/zinc/94/79/52/1066947952.db2.gz PLVYUBXTQROTGO-GOSISDBHSA-N 0 0 459.274 4.996 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1=O ZINC001457954395 1066948013 /nfs/dbraw/zinc/94/80/13/1066948013.db2.gz ZLNWAVGHJWOFHW-UUOWRZLLSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1Cc1cccnc1OCC(F)(F)F ZINC001492780925 1066948123 /nfs/dbraw/zinc/94/81/23/1066948123.db2.gz GRQJGQHUOOYPKO-UHFFFAOYSA-N 0 0 459.394 4.626 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(C)c1 ZINC001457956680 1066948435 /nfs/dbraw/zinc/94/84/35/1066948435.db2.gz CXONIBDXUNFBQU-JOCHJYFZSA-N 0 0 459.615 4.813 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001546095402 1066948517 /nfs/dbraw/zinc/94/85/17/1066948517.db2.gz MBSYNJQREUKXHU-WXVAWEFUSA-N 0 0 485.673 4.732 20 0 JJADRN Cc1nnc(N(C)CCCc2cc(-c3ccccc3)no2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492784767 1066948646 /nfs/dbraw/zinc/94/86/46/1066948646.db2.gz PHHOKVXSQKZEPV-UHFFFAOYSA-N 0 0 456.472 4.773 20 0 JJADRN Cc1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001492785726 1066948985 /nfs/dbraw/zinc/94/89/85/1066948985.db2.gz SXZDZOCGPHLTSK-HXUWFJFHSA-N 0 0 460.022 4.708 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)C(C)(C)C ZINC001457964874 1066949035 /nfs/dbraw/zinc/94/90/35/1066949035.db2.gz SYXXQPUDQMPEPK-HSZRJFAPSA-N 0 0 452.595 4.957 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)C1 ZINC001457969379 1066949751 /nfs/dbraw/zinc/94/97/51/1066949751.db2.gz RXMCGTSTFYUXRU-FQEVSTJZSA-N 0 0 450.485 4.721 20 0 JJADRN CN(C)c1nc2sc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2s1 ZINC001448679407 1066949949 /nfs/dbraw/zinc/94/99/49/1066949949.db2.gz ZPVDJPQZUGIHEK-UHFFFAOYSA-N 0 0 455.527 4.878 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2CN(C)c2ccccc2)c1 ZINC001448680309 1066950063 /nfs/dbraw/zinc/95/00/63/1066950063.db2.gz ABFRZEBIYFIMKJ-UHFFFAOYSA-N 0 0 456.502 4.830 20 0 JJADRN Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CC1([S@](C)=O)CCC1 ZINC001492788682 1066950037 /nfs/dbraw/zinc/95/00/37/1066950037.db2.gz ZCJYWAUKKWIIGA-NDEPHWFRSA-N 0 0 487.895 4.966 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)Nc2cccc(C3CCOCC3)c2)cc1 ZINC001457974172 1066950046 /nfs/dbraw/zinc/95/00/46/1066950046.db2.gz MCMWLFRJHMUWNC-UHFFFAOYSA-N 0 0 452.580 4.555 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC001457972184 1066950153 /nfs/dbraw/zinc/95/01/53/1066950153.db2.gz ZGWMPCBGMCQIJU-JOCHJYFZSA-N 0 0 451.364 4.566 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2nc(C)cs2)CCO1 ZINC001546095559 1066950647 /nfs/dbraw/zinc/95/06/47/1066950647.db2.gz OZJSEDBLCYQGDE-NPMXOYFQSA-N 0 0 461.582 4.721 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 ZINC001457977986 1066950766 /nfs/dbraw/zinc/95/07/66/1066950766.db2.gz IWWMIPLDTHFSJG-UHFFFAOYSA-N 0 0 452.526 4.760 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C1CC1 ZINC001448684504 1066950959 /nfs/dbraw/zinc/95/09/59/1066950959.db2.gz XTSFWAKMRJOYPK-CQSZACIVSA-N 0 0 452.420 4.981 20 0 JJADRN O=C(/C=C\c1ccccc1C(F)(F)F)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448685691 1066950986 /nfs/dbraw/zinc/95/09/86/1066950986.db2.gz MNZSIQPWRQFWFD-HJWRWDBZSA-N 0 0 452.230 4.848 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492797278 1066951419 /nfs/dbraw/zinc/95/14/19/1066951419.db2.gz ZMHOOLXDUSJVJZ-UHFFFAOYSA-N 0 0 464.513 4.737 20 0 JJADRN CSc1ccc(CCNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)cc1 ZINC001448690738 1066952066 /nfs/dbraw/zinc/95/20/66/1066952066.db2.gz XCPRKQIRDYVKLX-UHFFFAOYSA-N 0 0 451.773 4.638 20 0 JJADRN Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001492798874 1066952160 /nfs/dbraw/zinc/95/21/60/1066952160.db2.gz OHFZIOJKKBTTNZ-BUKVSMQUSA-N 0 0 457.594 4.974 20 0 JJADRN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1ccnc(Oc2ccccc2)c1 ZINC001448689933 1066952185 /nfs/dbraw/zinc/95/21/85/1066952185.db2.gz YTAJERZIFNJLGI-UHFFFAOYSA-N 0 0 451.280 4.616 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@@H](C)N3CSCCSC3)ccc2OC(F)F)cc1 ZINC001448692748 1066952197 /nfs/dbraw/zinc/95/21/97/1066952197.db2.gz OYKJGEVDGYXCON-CQSZACIVSA-N 0 0 454.564 4.988 20 0 JJADRN Cc1cc(CNC(=O)CCCCC(=O)c2ccc(F)cc2)ccc1I ZINC001448689954 1066952331 /nfs/dbraw/zinc/95/23/31/1066952331.db2.gz ZEPZWQXCFVIIPL-UHFFFAOYSA-N 0 0 453.295 4.798 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCCc2ccc(OC(C)(C)C)cc2)cc1 ZINC001546009037 1066952777 /nfs/dbraw/zinc/95/27/77/1066952777.db2.gz CSQNOSFOWMRWIL-XMMPIXPASA-N 0 0 453.627 4.745 20 0 JJADRN O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc(CCc2ccccc2)ccc1O ZINC001448718768 1066953101 /nfs/dbraw/zinc/95/31/01/1066953101.db2.gz FNWOLSJYBNLMHX-UHFFFAOYSA-N 0 0 450.966 4.915 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1Cc1cscc1C(F)(F)F ZINC001492799621 1066953120 /nfs/dbraw/zinc/95/31/20/1066953120.db2.gz JFRUFPTTXRQNOO-UHFFFAOYSA-N 0 0 459.538 4.599 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCOCc1ccc(Cl)cc1 ZINC001457988379 1066953156 /nfs/dbraw/zinc/95/31/56/1066953156.db2.gz JSRSJGWZFOTBSH-TYPHKJRUSA-N 0 0 451.007 4.931 20 0 JJADRN O=C([C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1CCn2c(nnc2C(F)F)C1 ZINC001448717254 1066953200 /nfs/dbraw/zinc/95/32/00/1066953200.db2.gz KJWQTZFCOGKUSN-QGZVFWFLSA-N 0 0 453.276 4.685 20 0 JJADRN COc1ccccc1COC1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC001457990333 1066953352 /nfs/dbraw/zinc/95/33/52/1066953352.db2.gz YEVVNJGTSVJJHL-UHFFFAOYSA-N 0 0 458.558 4.550 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)COCc1ccccc1 ZINC001492804317 1066953520 /nfs/dbraw/zinc/95/35/20/1066953520.db2.gz HSJWQXNVADOENQ-HXUWFJFHSA-N 0 0 471.646 4.523 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2ncon2)C(C)C)cc1OCc1csc(Br)c1 ZINC001448719951 1066953498 /nfs/dbraw/zinc/95/34/98/1066953498.db2.gz ODDDFOPJWLEITH-KRWDZBQOSA-N 0 0 450.358 4.908 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001448724514 1066953862 /nfs/dbraw/zinc/95/38/62/1066953862.db2.gz UMGPEXLTXUKHTP-OLMNPRSZSA-N 0 0 459.222 4.686 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCCc1ccccc1F ZINC001492804823 1066953808 /nfs/dbraw/zinc/95/38/08/1066953808.db2.gz QUBGCUGJEAOWNC-UHFFFAOYSA-N 0 0 459.610 4.832 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1 ZINC001448726945 1066954242 /nfs/dbraw/zinc/95/42/42/1066954242.db2.gz CZJQSCCCTVMNNR-AOHZBQACSA-N 0 0 450.579 4.694 20 0 JJADRN Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492805301 1066954382 /nfs/dbraw/zinc/95/43/82/1066954382.db2.gz GMJHPZUKRYKYRU-UHFFFAOYSA-N 0 0 450.549 4.777 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001457997397 1066954672 /nfs/dbraw/zinc/95/46/72/1066954672.db2.gz LWLVNDSCTABTAI-LJQANCHMSA-N 0 0 451.567 4.842 20 0 JJADRN Cc1nc(Cl)ccc1NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001448731497 1066954688 /nfs/dbraw/zinc/95/46/88/1066954688.db2.gz QRYIDXFLJPHYBY-UHFFFAOYSA-N 0 0 450.992 4.942 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)c1 ZINC001448738400 1066955298 /nfs/dbraw/zinc/95/52/98/1066955298.db2.gz WUPUJNHPEZMFEP-UHFFFAOYSA-N 0 0 453.518 4.899 20 0 JJADRN CC1(C)CCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CCS1 ZINC001448736184 1066955322 /nfs/dbraw/zinc/95/53/22/1066955322.db2.gz MDXRSEJRTVXCAW-UHFFFAOYSA-N 0 0 456.612 4.910 20 0 JJADRN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1CCCc1nccs1 ZINC001492831317 1066955480 /nfs/dbraw/zinc/95/54/80/1066955480.db2.gz UFDGTVXDVQVPPI-UHFFFAOYSA-N 0 0 454.600 4.586 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)cc1OC ZINC001458001176 1066955680 /nfs/dbraw/zinc/95/56/80/1066955680.db2.gz TWODNWMKXFCMHZ-QHCPKHFHSA-N 0 0 453.922 4.880 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001492836675 1066955702 /nfs/dbraw/zinc/95/57/02/1066955702.db2.gz AXMRKADYNFKNEI-WMLDXEAASA-N 0 0 483.535 4.505 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2o1 ZINC001492838036 1066955865 /nfs/dbraw/zinc/95/58/65/1066955865.db2.gz LESJNJFQXZYKTE-FXAWDEMLSA-N 0 0 453.587 4.705 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492836697 1066955912 /nfs/dbraw/zinc/95/59/12/1066955912.db2.gz BBCHHMAERSHOIX-YQQAZPJKSA-N 0 0 470.927 4.784 20 0 JJADRN CCN(CC)c1ccc(C(=O)N[C@H](C)CCc2ccc(I)cc2)cc1 ZINC001448764370 1066956201 /nfs/dbraw/zinc/95/62/01/1066956201.db2.gz ASVBRXJHBVEBNH-MRXNPFEDSA-N 0 0 450.364 4.889 20 0 JJADRN Cc1ncc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc21 ZINC001448761644 1066956299 /nfs/dbraw/zinc/95/62/99/1066956299.db2.gz WWLSVCOMZACNCV-UHFFFAOYSA-N 0 0 451.935 4.763 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492838668 1066956236 /nfs/dbraw/zinc/95/62/36/1066956236.db2.gz OPVYPOOQAMZTPK-DENIHFKCSA-N 0 0 498.672 4.871 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001492839029 1066956244 /nfs/dbraw/zinc/95/62/44/1066956244.db2.gz RIAHXJUTJZOYMP-VQIMIIECSA-N 0 0 470.593 4.579 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492838974 1066956320 /nfs/dbraw/zinc/95/63/20/1066956320.db2.gz RBOXYFMWRXDXKK-RCKXYERXSA-N 0 0 463.667 4.700 20 0 JJADRN Cc1nnc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001492845041 1066956583 /nfs/dbraw/zinc/95/65/83/1066956583.db2.gz URUBIXZXCAZGGT-FQEVSTJZSA-N 0 0 452.603 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001448772893 1066956660 /nfs/dbraw/zinc/95/66/60/1066956660.db2.gz BSCSFXGITCGPGS-SFHVURJKSA-N 0 0 456.505 4.690 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1Br ZINC001448772726 1066956688 /nfs/dbraw/zinc/95/66/88/1066956688.db2.gz AOXJHISNMVAWDO-SFHVURJKSA-N 0 0 459.319 4.755 20 0 JJADRN CN1Cc2cc(OC(=O)c3ccc(COc4ccccc4Br)cc3)ccc2C1=O ZINC001458013881 1066956801 /nfs/dbraw/zinc/95/68/01/1066956801.db2.gz UHTMDKWVFOIJMY-UHFFFAOYSA-N 0 0 452.304 4.833 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC001458016251 1066957077 /nfs/dbraw/zinc/95/70/77/1066957077.db2.gz VNQAYNXLTRWKPQ-NSHDSACASA-N 0 0 451.857 4.932 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001492846390 1066957272 /nfs/dbraw/zinc/95/72/72/1066957272.db2.gz GBEGWPJAXNMBPN-JOCHJYFZSA-N 0 0 492.624 4.905 20 0 JJADRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1 ZINC001458018641 1066957656 /nfs/dbraw/zinc/95/76/56/1066957656.db2.gz KQXURSKADPSZLQ-QGZVFWFLSA-N 0 0 451.958 4.847 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001458019019 1066957745 /nfs/dbraw/zinc/95/77/45/1066957745.db2.gz JYHXTDKRKDALFP-GOSISDBHSA-N 0 0 458.345 4.878 20 0 JJADRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)sc1C ZINC001448792166 1066957901 /nfs/dbraw/zinc/95/79/01/1066957901.db2.gz IVGIMMWDQKQWOB-KRWDZBQOSA-N 0 0 459.568 4.871 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001448789728 1066957968 /nfs/dbraw/zinc/95/79/68/1066957968.db2.gz BPHYIHCNLICMAF-KRWDZBQOSA-N 0 0 450.460 4.900 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001448796630 1066958025 /nfs/dbraw/zinc/95/80/25/1066958025.db2.gz OABJGSZCMNQGFR-HNNXBMFYSA-N 0 0 450.407 4.627 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1C(F)(F)F ZINC001492849747 1066958096 /nfs/dbraw/zinc/95/80/96/1066958096.db2.gz WHEGRLLZJUJPDG-QGZVFWFLSA-N 0 0 467.536 4.737 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)NCCc1ccccc1Br ZINC001448797192 1066958396 /nfs/dbraw/zinc/95/83/96/1066958396.db2.gz UHEYYJHVBJFHAU-UHFFFAOYSA-N 0 0 450.174 4.834 20 0 JJADRN Cc1c(NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1NC(=O)N(C)C ZINC001448800547 1066958449 /nfs/dbraw/zinc/95/84/49/1066958449.db2.gz RSPWTCSXRPLLCA-UTKZUKDTSA-N 0 0 454.571 4.929 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492851468 1066958505 /nfs/dbraw/zinc/95/85/05/1066958505.db2.gz DOFYJELPASHXDF-KFWWJZLASA-N 0 0 450.431 4.937 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001492851775 1066958929 /nfs/dbraw/zinc/95/89/29/1066958929.db2.gz JYHNOBADZGHKHZ-RXVVDRJESA-N 0 0 492.615 4.582 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc(Cl)c1F ZINC001448805954 1066959053 /nfs/dbraw/zinc/95/90/53/1066959053.db2.gz JSSXBEQIKQFZIH-UHFFFAOYSA-N 0 0 450.894 4.585 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(N(C)C(N)=O)c3)cc12 ZINC001448813018 1066959534 /nfs/dbraw/zinc/95/95/34/1066959534.db2.gz YBWHMHBRFIROIA-UHFFFAOYSA-N 0 0 453.955 4.875 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)Cc2ccccc2O[C@H]2CCOC2)CC1 ZINC001458041059 1066959587 /nfs/dbraw/zinc/95/95/87/1066959587.db2.gz IBXLPARYYZOUQH-NRFANRHFSA-N 0 0 458.396 4.740 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC001448814926 1066959594 /nfs/dbraw/zinc/95/95/94/1066959594.db2.gz UTRVQLBYCUOSAE-UHFFFAOYSA-N 0 0 456.955 4.768 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)OC ZINC001546009861 1066959839 /nfs/dbraw/zinc/95/98/39/1066959839.db2.gz APXMPJYCJWZQFB-DEOSSOPVSA-N 0 0 480.657 4.629 20 0 JJADRN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001492897178 1066959946 /nfs/dbraw/zinc/95/99/46/1066959946.db2.gz XHWVKCHFKZZJPJ-RDTXWAMCSA-N 0 0 482.398 4.505 20 0 JJADRN COC(=O)c1cc(F)c(C)c(OC(=O)c2cc(Br)sc2Br)c1 ZINC001458045118 1066960018 /nfs/dbraw/zinc/96/00/18/1066960018.db2.gz QHJDEBDZUNDXMD-UHFFFAOYSA-N 0 0 452.095 4.726 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCC(C)(c3cccc(Br)c3)CC1)C2 ZINC001458045977 1066960270 /nfs/dbraw/zinc/96/02/70/1066960270.db2.gz MDEFWXJKKHZIRU-DEOSSOPVSA-N 0 0 456.380 4.809 20 0 JJADRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458046195 1066960302 /nfs/dbraw/zinc/96/03/02/1066960302.db2.gz BNEWAERKEPRASB-CQSZACIVSA-N 0 0 451.283 4.713 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCc1ccc(Br)cc1 ZINC001492908921 1066960291 /nfs/dbraw/zinc/96/02/91/1066960291.db2.gz PJRCHXFXYYIIMN-UHFFFAOYSA-N 0 0 496.240 4.620 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001492907790 1066960356 /nfs/dbraw/zinc/96/03/56/1066960356.db2.gz FZMSKXVNSBXBJM-UHFFFAOYSA-N 0 0 480.469 4.612 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC001458046231 1066960380 /nfs/dbraw/zinc/96/03/80/1066960380.db2.gz VJPBLHGFMUHHPD-HTAPYJJXSA-N 0 0 452.382 4.577 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001458045984 1066960417 /nfs/dbraw/zinc/96/04/17/1066960417.db2.gz UAIWQIDCTJNQHR-FPOVZHCZSA-N 0 0 453.526 4.505 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448832862 1066960804 /nfs/dbraw/zinc/96/08/04/1066960804.db2.gz BOLYCLQXLGHBNT-GOEBONIOSA-N 0 0 451.539 4.691 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC(C)(c3ccccc3)CC2)nn1-c1ccccc1C(F)(F)F ZINC001458047402 1066960837 /nfs/dbraw/zinc/96/08/37/1066960837.db2.gz TWNUQLQFLKEBSR-UHFFFAOYSA-N 0 0 455.480 4.754 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)Cc1coc2cc(Cl)ccc12 ZINC001458052957 1066961577 /nfs/dbraw/zinc/96/15/77/1066961577.db2.gz LCOZZJLGNWRLRQ-IBGZPJMESA-N 0 0 450.716 4.764 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC001448840119 1066961717 /nfs/dbraw/zinc/96/17/17/1066961717.db2.gz HJIBPAVEPPWREG-ILBGXUMGSA-N 0 0 450.604 4.929 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCOc2c(Br)cccc2C1 ZINC001448837235 1066961766 /nfs/dbraw/zinc/96/17/66/1066961766.db2.gz XTHVUHJEVOQZHO-UHFFFAOYSA-N 0 0 451.292 4.886 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492949322 1066961678 /nfs/dbraw/zinc/96/16/78/1066961678.db2.gz SRLFUFCNGGJJOY-UAGQMJEPSA-N 0 0 482.050 4.525 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001492949323 1066961735 /nfs/dbraw/zinc/96/17/35/1066961735.db2.gz SRLFUFCNGGJJOY-XIRDDKMYSA-N 0 0 482.050 4.525 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492949059 1066961792 /nfs/dbraw/zinc/96/17/92/1066961792.db2.gz PQZIKJJUMCDVHS-WIXQSORDSA-N 0 0 477.447 4.911 20 0 JJADRN CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3ccc(Cl)cc3-c3ccc(Cl)cc3)c2C1 ZINC001448841312 1066962161 /nfs/dbraw/zinc/96/21/61/1066962161.db2.gz WBMJXZNDEZTLPV-OAHLLOKOSA-N 0 0 457.361 4.808 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1Cc1ccccc1OC(F)(F)F ZINC001492955670 1066962332 /nfs/dbraw/zinc/96/23/32/1066962332.db2.gz MMMRAJDMCZWDSZ-QGZVFWFLSA-N 0 0 481.544 4.865 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CCN1C(=O)OC(C)(C)C ZINC001448841913 1066962466 /nfs/dbraw/zinc/96/24/66/1066962466.db2.gz JUXQIVHOYGOGEV-GJZGRUSLSA-N 0 0 453.605 4.637 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCCCOc2ccc3ccccc3c2)CC[C@H]1c1ccc(C)o1 ZINC001545695193 1066962571 /nfs/dbraw/zinc/96/25/71/1066962571.db2.gz JGNRAZXCIBRTMN-XZOQPEGZSA-N 0 0 450.535 4.989 20 0 JJADRN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001546009960 1066962917 /nfs/dbraw/zinc/96/29/17/1066962917.db2.gz CBGWBDRAFAEELO-WQJYWUQFSA-N 0 0 469.630 4.704 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448846853 1066963285 /nfs/dbraw/zinc/96/32/85/1066963285.db2.gz PWJISDCTATZGND-FGTMMUONSA-N 0 0 455.640 4.562 20 0 JJADRN COc1cc(F)cc(CNC(=O)CCc2cc(Br)c(Br)s2)c1 ZINC001458058281 1066963393 /nfs/dbraw/zinc/96/33/93/1066963393.db2.gz WADSMUYHHCCFOO-UHFFFAOYSA-N 0 0 451.155 4.670 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001545698139 1066963420 /nfs/dbraw/zinc/96/34/20/1066963420.db2.gz DANPXFAATCCWDK-QGZVFWFLSA-N 0 0 475.584 4.567 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448846865 1066963811 /nfs/dbraw/zinc/96/38/11/1066963811.db2.gz PWJISDCTATZGND-KZNAEPCWSA-N 0 0 455.640 4.562 20 0 JJADRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001458058373 1066963956 /nfs/dbraw/zinc/96/39/56/1066963956.db2.gz GKBDTXBQHVBRTE-ZWKOTPCHSA-N 0 0 458.599 4.927 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cnc(-c2ccncc2)s1 ZINC001448851699 1066964255 /nfs/dbraw/zinc/96/42/55/1066964255.db2.gz VJAOIZHISSUPHI-UHFFFAOYSA-N 0 0 452.580 4.762 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CCN1C(=O)OC(C)(C)C ZINC001448851005 1066964277 /nfs/dbraw/zinc/96/42/77/1066964277.db2.gz XNAIQICNPNXRCL-UYAOXDASSA-N 0 0 452.599 4.794 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC001448852434 1066964341 /nfs/dbraw/zinc/96/43/41/1066964341.db2.gz WJXDWYZRJLDCQM-QFBILLFUSA-N 0 0 459.587 4.502 20 0 JJADRN Cc1ncc(I)c(Sc2nnc(Nc3cccc(C)c3C)s2)n1 ZINC001458060632 1066964411 /nfs/dbraw/zinc/96/44/11/1066964411.db2.gz JZADCGTYCZXAKI-UHFFFAOYSA-N 0 0 455.350 4.753 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001545701968 1066964685 /nfs/dbraw/zinc/96/46/85/1066964685.db2.gz TWPTZLGJIKZYRL-RBUKOAKNSA-N 0 0 458.050 4.844 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001545702215 1066964693 /nfs/dbraw/zinc/96/46/93/1066964693.db2.gz XSSLUZQCYVLOIV-FQRUVTKNSA-N 0 0 453.606 4.640 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001448853387 1066964725 /nfs/dbraw/zinc/96/47/25/1066964725.db2.gz ACEIWHHQSURWNH-SFHVURJKSA-N 0 0 451.260 4.804 20 0 JJADRN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001448855293 1066964754 /nfs/dbraw/zinc/96/47/54/1066964754.db2.gz HFWKFCAERFEKLK-MYGHRHJXSA-N 0 0 454.617 4.966 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3c(OC)ccc(F)c3OC)C2)n1 ZINC001448857315 1066964861 /nfs/dbraw/zinc/96/48/61/1066964861.db2.gz LLBRJZKVCMWLAM-OAHLLOKOSA-N 0 0 456.539 4.995 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001458061534 1066964955 /nfs/dbraw/zinc/96/49/55/1066964955.db2.gz HAHKKSPJRVRWBY-ZDUSSCGKSA-N 0 0 459.732 4.867 20 0 JJADRN CCc1cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c2c(CC(C)(C)C)noc2n1 ZINC001545702377 1066965115 /nfs/dbraw/zinc/96/51/15/1066965115.db2.gz AIEXMITVCSIWLH-UHFFFAOYSA-N 0 0 450.583 4.835 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1OCc1ccc(F)cc1 ZINC001458063306 1066965301 /nfs/dbraw/zinc/96/53/01/1066965301.db2.gz KGOMKCVSXHDJID-QGZVFWFLSA-N 0 0 456.876 4.733 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001545703684 1066965591 /nfs/dbraw/zinc/96/55/91/1066965591.db2.gz KPQTZGIAMOZILI-HNAYVOBHSA-N 0 0 472.684 4.514 20 0 JJADRN CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC001448865592 1066965595 /nfs/dbraw/zinc/96/55/95/1066965595.db2.gz BDVJTADKHRKVBF-MRXNPFEDSA-N 0 0 452.294 4.606 20 0 JJADRN Cc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCC(C)(C)CC3)c3cnn(C(C)C)c3n2)s1 ZINC001458066277 1066965660 /nfs/dbraw/zinc/96/56/60/1066965660.db2.gz FOPSLRIVZPQKEJ-UHFFFAOYSA-N 0 0 453.612 4.603 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC001458068880 1066966041 /nfs/dbraw/zinc/96/60/41/1066966041.db2.gz KTJCWCPNKJOQBL-KRWDZBQOSA-N 0 0 454.752 4.912 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001545704353 1066966124 /nfs/dbraw/zinc/96/61/24/1066966124.db2.gz XMUVHJXSPRIREB-DWACAAAGSA-N 0 0 479.669 4.703 20 0 JJADRN COc1ccc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c(OC(C)C)c1 ZINC001458067376 1066966144 /nfs/dbraw/zinc/96/61/44/1066966144.db2.gz FEFHNMXIZPOFAS-UHFFFAOYSA-N 0 0 454.615 4.870 20 0 JJADRN CSC[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001545704814 1066966528 /nfs/dbraw/zinc/96/65/28/1066966528.db2.gz JXNFNRXYGHFLTL-OAHLLOKOSA-N 0 0 459.420 4.762 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c[nH]c2ncc(Br)cc12 ZINC001448883638 1066966648 /nfs/dbraw/zinc/96/66/48/1066966648.db2.gz IKWONNLJXZNHHT-CYBMUJFWSA-N 0 0 453.159 4.665 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001545705615 1066966745 /nfs/dbraw/zinc/96/67/45/1066966745.db2.gz CZMSNDWUPZKVRW-YADHBBJMSA-N 0 0 455.647 4.651 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001545705500 1066966855 /nfs/dbraw/zinc/96/68/55/1066966855.db2.gz BJTHGESTSGANLS-IFMALSPDSA-N 0 0 473.687 4.501 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001458071033 1066966880 /nfs/dbraw/zinc/96/68/80/1066966880.db2.gz XYKNDSANYGUUKP-UHFFFAOYSA-N 0 0 454.929 4.786 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)c3ccc(=O)n(-c4cccc(F)c4)c3)cc2)cc1 ZINC001458070507 1066966997 /nfs/dbraw/zinc/96/69/97/1066966997.db2.gz JZTVSUUOEVQSTI-UHFFFAOYSA-N 0 0 458.489 4.750 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(C)cs1 ZINC001545706192 1066967484 /nfs/dbraw/zinc/96/74/84/1066967484.db2.gz NLYAMIZHFYRQPE-IBGZPJMESA-N 0 0 464.639 4.592 20 0 JJADRN CCCc1c(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)[nH]c(C)c1C(C)=O ZINC001458072889 1066967624 /nfs/dbraw/zinc/96/76/24/1066967624.db2.gz ZLMBWBSDZDNRCR-UHFFFAOYSA-N 0 0 453.631 4.865 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)C1 ZINC001448892394 1066967700 /nfs/dbraw/zinc/96/77/00/1066967700.db2.gz VURVTAYFKJYPIU-FCEWJHQRSA-N 0 0 451.405 4.610 20 0 JJADRN COC(=O)[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(F)c1 ZINC001458076342 1066968046 /nfs/dbraw/zinc/96/80/46/1066968046.db2.gz NQCFFLFUDBYXGR-HNNXBMFYSA-N 0 0 455.096 4.849 20 0 JJADRN COc1ncc(Br)cc1COC(=O)CCCOc1ccccc1Br ZINC001458076431 1066968329 /nfs/dbraw/zinc/96/83/29/1066968329.db2.gz CZLNCGYJFNAAFP-UHFFFAOYSA-N 0 0 459.134 4.518 20 0 JJADRN COc1ncc(Br)cc1COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C ZINC001458076487 1066968555 /nfs/dbraw/zinc/96/85/55/1066968555.db2.gz DYARPSGVXYJNPO-AWEZNQCLSA-N 0 0 457.324 4.754 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC001545707317 1066968785 /nfs/dbraw/zinc/96/87/85/1066968785.db2.gz KBHCPFYADYIEST-RPWUZVMVSA-N 0 0 450.604 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448905447 1066968791 /nfs/dbraw/zinc/96/87/91/1066968791.db2.gz OPJRFSIEBODNQG-WZYRSQIMSA-N 0 0 452.599 4.708 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001546010419 1066968841 /nfs/dbraw/zinc/96/88/41/1066968841.db2.gz LNGOPCVRACVBRW-DEOSSOPVSA-N 0 0 497.684 4.564 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(Br)cc(OC(C)C)c1)c1ccc(Cl)c(F)c1 ZINC001458078544 1066968889 /nfs/dbraw/zinc/96/88/89/1066968889.db2.gz ZKXQNHLOETYZBK-QGZVFWFLSA-N 0 0 458.711 4.673 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001448909353 1066968956 /nfs/dbraw/zinc/96/89/56/1066968956.db2.gz OEQSAZAGDDTGNM-QUCCMNQESA-N 0 0 454.571 4.614 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001546010471 1066969176 /nfs/dbraw/zinc/96/91/76/1066969176.db2.gz MKJHOVYPUUHAOF-FQEVSTJZSA-N 0 0 469.630 4.849 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC2(CCOCC2)O1 ZINC001448912204 1066969295 /nfs/dbraw/zinc/96/92/95/1066969295.db2.gz DCPIFWNVQGTGFE-IIBYNOLFSA-N 0 0 450.362 4.910 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 ZINC001545709008 1066969510 /nfs/dbraw/zinc/96/95/10/1066969510.db2.gz UEERQIVAKUBYGM-NEYJZJCJSA-N 0 0 461.676 4.760 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001545709336 1066969850 /nfs/dbraw/zinc/96/98/50/1066969850.db2.gz ZVIFCIRPWQUUPW-PJGWKRMOSA-N 0 0 497.684 4.852 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001545709293 1066969879 /nfs/dbraw/zinc/96/98/79/1066969879.db2.gz ZCLJUHUXWXLDIL-QBRBXANFSA-N 0 0 459.679 4.661 20 0 JJADRN Cc1cc(C(F)(F)F)nc(Sc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)n1 ZINC001458083477 1066970034 /nfs/dbraw/zinc/97/00/34/1066970034.db2.gz HFOSZTWJDCRVAH-CHWSQXEVSA-N 0 0 452.506 4.670 20 0 JJADRN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001545710611 1066970070 /nfs/dbraw/zinc/97/00/70/1066970070.db2.gz DMRLLYLDHODVSB-NBHGPNQESA-N 0 0 493.483 4.506 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001545711957 1066970255 /nfs/dbraw/zinc/97/02/55/1066970255.db2.gz HAJLXGYOVAHXDH-FBTHGLLTSA-N 0 0 455.476 4.935 20 0 JJADRN O=S(=O)(Cc1cc(F)ccc1Br)Oc1ccc(Br)cc1Cl ZINC001621593257 1066970454 /nfs/dbraw/zinc/97/04/54/1066970454.db2.gz HAKKRTWATCFBGG-UHFFFAOYSA-N 0 0 458.530 4.913 20 0 JJADRN Cc1cc([C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C2CC2)ccc1F ZINC001458084034 1066970555 /nfs/dbraw/zinc/97/05/55/1066970555.db2.gz NPJLBOXZPUGFJJ-XZOQPEGZSA-N 0 0 451.542 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCC2(c3ccc(F)cc3F)CC2)(c2ccccc2)C1 ZINC001458088797 1066970936 /nfs/dbraw/zinc/97/09/36/1066970936.db2.gz MMOSZOGMGGOXEW-AREMUKBSSA-N 0 0 456.533 4.691 20 0 JJADRN O=Cc1ccc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)s1 ZINC001448929053 1066970916 /nfs/dbraw/zinc/97/09/16/1066970916.db2.gz DLZZPQVPGCWDDY-INIZCTEOSA-N 0 0 454.411 4.740 20 0 JJADRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001545716332 1066970991 /nfs/dbraw/zinc/97/09/91/1066970991.db2.gz NQJIABHYGPCPGU-CYFREDJKSA-N 0 0 450.485 4.623 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnn([C@H](C)CC)c3C)cc2)cc1 ZINC001448929708 1066971037 /nfs/dbraw/zinc/97/10/37/1066971037.db2.gz SKWHTGDHDKPKTB-MRXNPFEDSA-N 0 0 456.568 4.614 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC001448932983 1066971376 /nfs/dbraw/zinc/97/13/76/1066971376.db2.gz CNXMPUSLZFHOHH-KRWDZBQOSA-N 0 0 454.445 4.704 20 0 JJADRN CS(=O)(=O)C[C@H](C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001448930027 1066971531 /nfs/dbraw/zinc/97/15/31/1066971531.db2.gz IONNGDXKNRRJSM-LEWJYISDSA-N 0 0 453.526 4.978 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC001458089484 1066971392 /nfs/dbraw/zinc/97/13/92/1066971392.db2.gz RLFPXLJHYBQNTE-INIZCTEOSA-N 0 0 452.339 4.771 20 0 JJADRN CSc1cnc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)nc1 ZINC001458088873 1066971422 /nfs/dbraw/zinc/97/14/22/1066971422.db2.gz HHGCFSULDWVDTR-UHFFFAOYSA-N 0 0 457.382 4.755 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)CC1 ZINC001545716670 1066971510 /nfs/dbraw/zinc/97/15/10/1066971510.db2.gz WPADRRUVFZEHNG-NTKDMRAZSA-N 0 0 454.636 4.529 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc1 ZINC001545716804 1066971792 /nfs/dbraw/zinc/97/17/92/1066971792.db2.gz ZTGWMHBZXQUDFB-IZZNHLLZSA-N 0 0 458.558 4.605 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1CC1(OC)CCC(C)CC1)c1ccccc1 ZINC001545717182 1066971920 /nfs/dbraw/zinc/97/19/20/1066971920.db2.gz HGBFUEUVWNWBLE-DVYGNFTASA-N 0 0 490.714 4.673 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H](C)CCSC)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545717498 1066972108 /nfs/dbraw/zinc/97/21/08/1066972108.db2.gz MJRDUJSTUBAZEJ-QUCCMNQESA-N 0 0 455.676 4.793 20 0 JJADRN O=C(Cn1nnnc1-c1ccsc1)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001458092354 1066972370 /nfs/dbraw/zinc/97/23/70/1066972370.db2.gz HEUGQAVKFQTYTJ-UHFFFAOYSA-N 0 0 450.395 4.727 20 0 JJADRN O=C(CCOc1cccc(Cl)c1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC001448936688 1066972385 /nfs/dbraw/zinc/97/23/85/1066972385.db2.gz KVBQJGMYRSGJDY-UHFFFAOYSA-N 0 0 451.748 4.746 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](SC)C1)Oc1ccccc1F ZINC001546010709 1066972611 /nfs/dbraw/zinc/97/26/11/1066972611.db2.gz QIBIWVONLWVMHJ-LEWJYISDSA-N 0 0 486.661 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3ccccc3[C@H](O)c3ccccn3)cc21 ZINC001448942259 1066972762 /nfs/dbraw/zinc/97/27/62/1066972762.db2.gz RIFLTAABULGEAK-VWLOTQADSA-N 0 0 459.546 4.642 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)c1ccccc1 ZINC001545719425 1066973033 /nfs/dbraw/zinc/97/30/33/1066973033.db2.gz GPHIDXURTRYMNU-JTHBVZDNSA-N 0 0 450.631 4.703 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458093604 1066973140 /nfs/dbraw/zinc/97/31/40/1066973140.db2.gz KKAKCZNGKJRUQC-KFKAGJAMSA-N 0 0 462.562 4.666 20 0 JJADRN CCn1ncc(Br)c1C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001458094620 1066973280 /nfs/dbraw/zinc/97/32/80/1066973280.db2.gz AINBIAZHNPMYJR-UHFFFAOYSA-N 0 0 455.194 4.670 20 0 JJADRN C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458095019 1066973709 /nfs/dbraw/zinc/97/37/09/1066973709.db2.gz NUDOOMITOPSJHW-VGZDNEPHSA-N 0 0 454.498 4.740 20 0 JJADRN Cc1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1Oc1ncccc1Br ZINC001448962732 1066973714 /nfs/dbraw/zinc/97/37/14/1066973714.db2.gz HKSBLWZNIGLLMH-GOSISDBHSA-N 0 0 456.344 4.687 20 0 JJADRN COc1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc(OC)c1C ZINC001458098103 1066974532 /nfs/dbraw/zinc/97/45/32/1066974532.db2.gz XMUOUBSKACGUBD-HNNXBMFYSA-N 0 0 458.530 4.937 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1 ZINC001545720451 1066974897 /nfs/dbraw/zinc/97/48/97/1066974897.db2.gz XEIIQFNZWVCQEX-FGZHOGPDSA-N 0 0 476.673 4.803 20 0 JJADRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)CC1 ZINC001448977129 1066974805 /nfs/dbraw/zinc/97/48/05/1066974805.db2.gz COXGJEZVGARYHM-UHFFFAOYSA-N 0 0 450.913 4.642 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001448977077 1066974889 /nfs/dbraw/zinc/97/48/89/1066974889.db2.gz BKTGJRHGFRNUCF-QHCPKHFHSA-N 0 0 456.514 4.881 20 0 JJADRN Cc1ccc(-c2cccnc2)cc1NC(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001448974970 1066975013 /nfs/dbraw/zinc/97/50/13/1066975013.db2.gz QYCRAOVBMDKBRZ-VWLOTQADSA-N 0 0 450.539 4.542 20 0 JJADRN CC[C@H](c1nnc(N(C)[C@H]2CCSC2)n1CCOc1ccc(Cl)cn1)c1ccccc1 ZINC001545720486 1066975314 /nfs/dbraw/zinc/97/53/14/1066975314.db2.gz XTZZALSUGVVOFR-PMACEKPBSA-N 0 0 458.031 4.889 20 0 JJADRN COc1cc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)cc(NC(C)=O)c1OC ZINC001458101360 1066975474 /nfs/dbraw/zinc/97/54/74/1066975474.db2.gz DPLWHXXJGBEDHF-WXTAPIANSA-N 0 0 458.558 4.881 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458101979 1066975804 /nfs/dbraw/zinc/97/58/04/1066975804.db2.gz GDZBNRKMXBBOOP-KOSHJBKYSA-N 0 0 453.970 4.889 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H](c2ccccc2)C(C)(C)CO)nnc1-c1ccccc1 ZINC001448991967 1066975762 /nfs/dbraw/zinc/97/57/62/1066975762.db2.gz AAXQNCORVJKDQD-AVRDEDQJSA-N 0 0 452.624 4.884 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCCc1nccs1)c1ccccc1 ZINC001545721687 1066975976 /nfs/dbraw/zinc/97/59/76/1066975976.db2.gz FDICAEPRCIVTMT-NRFANRHFSA-N 0 0 463.655 4.896 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2)n1Cc1cccnc1OCC(F)(F)F)c1ccccc1 ZINC001545721598 1066976120 /nfs/dbraw/zinc/97/61/20/1066976120.db2.gz CNDCRGMYZOGRFK-OAQYLSRUSA-N 0 0 499.541 4.574 20 0 JJADRN CC[C@H](c1nnc(N(C)CC(F)(F)F)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545721931 1066976463 /nfs/dbraw/zinc/97/64/63/1066976463.db2.gz JYZSKEJGNBUQLY-INIZCTEOSA-N 0 0 455.431 4.863 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccsc3)n2CCC(=O)Nc2cccc(Cl)c2C)CCO1 ZINC001546097024 1066976687 /nfs/dbraw/zinc/97/66/87/1066976687.db2.gz ANDMNYVIFGQOPY-XMMPIXPASA-N 0 0 488.057 4.926 20 0 JJADRN COc1cc2c(cc1CNC(=O)C[C@H]1c3ccccc3CN1C(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC001458104924 1066977040 /nfs/dbraw/zinc/97/70/40/1066977040.db2.gz OCIMMVUBZOVKCO-KKSFZXQISA-N 0 0 452.551 4.517 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC1(O)CCC1)c1ccccc1 ZINC001545722130 1066977257 /nfs/dbraw/zinc/97/72/57/1066977257.db2.gz OMAOVACWJRLLDK-LJQANCHMSA-N 0 0 476.547 4.514 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458107721 1066977701 /nfs/dbraw/zinc/97/77/01/1066977701.db2.gz UDGLEFSYHBEUCN-YCRPNKLZSA-N 0 0 450.348 4.952 20 0 JJADRN C[C@H](Sc1ccccc1C(=O)NC(Cc1ccccc1F)Cc1ccccc1F)C(N)=O ZINC001458108322 1066978083 /nfs/dbraw/zinc/97/80/83/1066978083.db2.gz VZUQIRPABXROET-INIZCTEOSA-N 0 0 454.542 4.515 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC001449030324 1066978169 /nfs/dbraw/zinc/97/81/69/1066978169.db2.gz QPJYEAXIYZUJMA-WMZOPIPTSA-N 0 0 456.414 4.772 20 0 JJADRN Cc1cc(C)nc(-n2nccc2NC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1 ZINC001458109836 1066978564 /nfs/dbraw/zinc/97/85/64/1066978564.db2.gz DMQMKXWDKSLFME-UHFFFAOYSA-N 0 0 454.321 4.977 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(C)C ZINC001458109840 1066978701 /nfs/dbraw/zinc/97/87/01/1066978701.db2.gz DSPGLVMKQQGYCZ-UHFFFAOYSA-N 0 0 456.608 4.916 20 0 JJADRN COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)n1 ZINC001458110928 1066978996 /nfs/dbraw/zinc/97/89/96/1066978996.db2.gz BWGWECVFIINWOB-QFIPXVFZSA-N 0 0 450.608 4.968 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001545724032 1066979916 /nfs/dbraw/zinc/97/99/16/1066979916.db2.gz KTLYWEMUZBHWSV-JSRBNTPPSA-N 0 0 497.684 4.938 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545724089 1066979930 /nfs/dbraw/zinc/97/99/30/1066979930.db2.gz LQUJSBLWRSFOFG-PMACEKPBSA-N 0 0 484.563 4.623 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCO[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545723964 1066979980 /nfs/dbraw/zinc/97/99/80/1066979980.db2.gz JLADZPUACNPZCH-CATZXFIYSA-N 0 0 481.685 4.720 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CCCCC2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545724217 1066980388 /nfs/dbraw/zinc/98/03/88/1066980388.db2.gz NMONFAMXWFATFI-RDGATRHJSA-N 0 0 453.675 4.805 20 0 JJADRN Cc1cc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nc(-c2cccs2)n1 ZINC001458115603 1066980431 /nfs/dbraw/zinc/98/04/31/1066980431.db2.gz YYXBKPQBISVEQP-UHFFFAOYSA-N 0 0 458.385 4.526 20 0 JJADRN Cc1c(C(=O)NCCc2cc(Cl)ccc2Br)nnn1-c1ccccc1Cl ZINC001458116038 1066980445 /nfs/dbraw/zinc/98/04/45/1066980445.db2.gz IMMQAUPFOXHWLX-UHFFFAOYSA-N 0 0 454.155 4.618 20 0 JJADRN NC(=O)c1cc(Oc2cccc(OC(=O)c3cccc(NC(=O)C4CCCCC4)c3)c2)ccn1 ZINC001458117090 1066980677 /nfs/dbraw/zinc/98/06/77/1066980677.db2.gz GUECUZJJNXWUHX-UHFFFAOYSA-N 0 0 459.502 4.711 20 0 JJADRN CCCOc1cccc(CCNC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c1 ZINC001458118110 1066980743 /nfs/dbraw/zinc/98/07/43/1066980743.db2.gz WOLVTZBIDMNCRN-QHCPKHFHSA-N 0 0 454.567 4.505 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449073469 1066981092 /nfs/dbraw/zinc/98/10/92/1066981092.db2.gz JGZUOJUMIHILSP-PZJWPPBQSA-N 0 0 451.592 4.548 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001449072401 1066981257 /nfs/dbraw/zinc/98/12/57/1066981257.db2.gz IMWQQBLOIOVIKD-DZGCQCFKSA-N 0 0 456.789 4.509 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545724597 1066981313 /nfs/dbraw/zinc/98/13/13/1066981313.db2.gz SVVFSRZOFKOBFB-KBMIEXCESA-N 0 0 471.049 4.785 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3ncsc3-c3ccccc3)sc2C1 ZINC001449082314 1066981581 /nfs/dbraw/zinc/98/15/81/1066981581.db2.gz LJIZWTXXRDJFEC-AWEZNQCLSA-N 0 0 456.593 4.901 20 0 JJADRN C[C@H]1CCc2c(sc3ncnc(N(C)C[C@H](O)COc4ccccc4C(F)(F)F)c23)C1 ZINC001458121373 1066981535 /nfs/dbraw/zinc/98/15/35/1066981535.db2.gz PMSYPXSEUIUFHC-KBPBESRZSA-N 0 0 451.514 4.711 20 0 JJADRN C[C@@H]1CCc2c(sc3ncnc(N(C)C[C@H](O)COc4ccccc4C(F)(F)F)c23)C1 ZINC001458121384 1066981667 /nfs/dbraw/zinc/98/16/67/1066981667.db2.gz PMSYPXSEUIUFHC-KGLIPLIRSA-N 0 0 451.514 4.711 20 0 JJADRN C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1)c1ccc(Oc2cccnc2)cc1 ZINC001449084405 1066981656 /nfs/dbraw/zinc/98/16/56/1066981656.db2.gz IXQBUSKVPJASFF-AWEZNQCLSA-N 0 0 456.424 4.983 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc1Cl ZINC001458122505 1066981949 /nfs/dbraw/zinc/98/19/49/1066981949.db2.gz IMOXRUSOBCCSJD-UHFFFAOYSA-N 0 0 456.848 4.763 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 ZINC001545725068 1066981843 /nfs/dbraw/zinc/98/18/43/1066981843.db2.gz FZJKPGAVYYKSDZ-OTQYULQBSA-N 0 0 450.670 4.902 20 0 JJADRN CC(C)COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001449092265 1066981961 /nfs/dbraw/zinc/98/19/61/1066981961.db2.gz WLDOKFJABLQLLN-KRWDZBQOSA-N 0 0 459.612 4.741 20 0 JJADRN O=S(=O)(NCc1cccc(F)c1)c1cccc(CNc2nc(Cl)nc3ccccc32)c1 ZINC001458124301 1066982302 /nfs/dbraw/zinc/98/23/02/1066982302.db2.gz SGHAQXIVBCQBCX-UHFFFAOYSA-N 0 0 456.930 4.513 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1 ZINC001449103298 1066982323 /nfs/dbraw/zinc/98/23/23/1066982323.db2.gz NNPSPENVHWGVOL-FQEVSTJZSA-N 0 0 455.555 4.530 20 0 JJADRN O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC001449101433 1066982451 /nfs/dbraw/zinc/98/24/51/1066982451.db2.gz GJIIKPQIGZHSQY-GOSISDBHSA-N 0 0 455.480 4.965 20 0 JJADRN Cc1cc(I)cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)c1 ZINC001449099869 1066982479 /nfs/dbraw/zinc/98/24/79/1066982479.db2.gz PBRGGPSTONICNW-IBGZPJMESA-N 0 0 452.311 4.732 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)c3ccccc3n2)c(C)c1 ZINC001458123332 1066982330 /nfs/dbraw/zinc/98/23/30/1066982330.db2.gz QWKCERUBDVRIIV-NRFANRHFSA-N 0 0 455.480 4.802 20 0 JJADRN CC[C@H](c1nnc(N(C)CCC(F)(F)F)n1Cc1ccnc(-n2cccn2)c1)c1ccccc1 ZINC001545725810 1066982414 /nfs/dbraw/zinc/98/24/14/1066982414.db2.gz DACOSMLKOWYMGR-FQEVSTJZSA-N 0 0 469.515 4.838 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458125007 1066982634 /nfs/dbraw/zinc/98/26/34/1066982634.db2.gz VVBGGNHFDRCCPF-OLZOCXBDSA-N 0 0 458.527 4.835 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001458125000 1066982646 /nfs/dbraw/zinc/98/26/46/1066982646.db2.gz VVBGGNHFDRCCPF-CHWSQXEVSA-N 0 0 458.527 4.835 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)F)n1Cc1ccnc(-n2cccn2)c1)c1ccccc1 ZINC001545726007 1066982821 /nfs/dbraw/zinc/98/28/21/1066982821.db2.gz HWYLKINJHRXSFK-HXUWFJFHSA-N 0 0 451.525 4.540 20 0 JJADRN CC[C@H](c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(C)coc1C)c1ccccc1 ZINC001545725952 1066982883 /nfs/dbraw/zinc/98/28/83/1066982883.db2.gz GVWIQUMJUXVEKO-IMSXRSKXSA-N 0 0 465.642 4.624 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccccc1 ZINC001545726542 1066983267 /nfs/dbraw/zinc/98/32/67/1066983267.db2.gz RYZNMQPDKLRUHK-MIZPHKNDSA-N 0 0 466.548 4.937 20 0 JJADRN O=C(Nc1ccc2c(cnn2C(F)F)c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001458127646 1066983543 /nfs/dbraw/zinc/98/35/43/1066983543.db2.gz AJNCYVJMHRVICD-GOSISDBHSA-N 0 0 455.292 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3c[nH]nc3-c3ccsc3)s2)CC1 ZINC001449120209 1066983679 /nfs/dbraw/zinc/98/36/79/1066983679.db2.gz PFQVBJMLXNNEJW-UHFFFAOYSA-N 0 0 459.597 4.962 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc(Cl)c1Br ZINC001458128755 1066983875 /nfs/dbraw/zinc/98/38/75/1066983875.db2.gz IRNGABCSSOKDET-UHFFFAOYSA-N 0 0 451.748 4.506 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)c3cc(-c4ccc(Br)cc4)ns3)c2)n1C ZINC001458128798 1066983886 /nfs/dbraw/zinc/98/38/86/1066983886.db2.gz YWADCCYEBKWGCC-UHFFFAOYSA-N 0 0 454.353 4.929 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)Cc1cc(Br)ccc1Cl ZINC001449128036 1066984438 /nfs/dbraw/zinc/98/44/38/1066984438.db2.gz HVTVUAWVIKAOMW-QGZVFWFLSA-N 0 0 457.796 4.695 20 0 JJADRN Cn1c(C(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc2cc(C(F)(F)F)ccc21 ZINC001449128896 1066984476 /nfs/dbraw/zinc/98/44/76/1066984476.db2.gz IYIIYLPPKAAKIE-GOSISDBHSA-N 0 0 451.489 4.861 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c2ccccc21 ZINC001449130958 1066984576 /nfs/dbraw/zinc/98/45/76/1066984576.db2.gz VYNXDPSDVDZECX-CYBMUJFWSA-N 0 0 457.914 4.538 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1cnn(CC(C)C)c1C(F)F ZINC001458132629 1066984752 /nfs/dbraw/zinc/98/47/52/1066984752.db2.gz GNIRPPBIWGSEKF-UHFFFAOYSA-N 0 0 457.481 4.753 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1csc(C)c1)c1ccccc1 ZINC001545728147 1066985008 /nfs/dbraw/zinc/98/50/08/1066985008.db2.gz GXXCJYWIEQQFHL-CTUHWIOQSA-N 0 0 495.693 4.606 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1csc(C)c1)c1ccccc1 ZINC001545728150 1066985220 /nfs/dbraw/zinc/98/52/20/1066985220.db2.gz GXXCJYWIEQQFHL-WUMKDDEVSA-N 0 0 495.693 4.606 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1CC1CC(C)(C)C1)c1ccccc1 ZINC001545728307 1066985663 /nfs/dbraw/zinc/98/56/63/1066985663.db2.gz JSINAUKROAAEQZ-AGILITTLSA-N 0 0 481.685 4.624 20 0 JJADRN Cc1ccc(N(CCC(=O)N[C@H]2CC[C@H]2C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001449154583 1066985761 /nfs/dbraw/zinc/98/57/61/1066985761.db2.gz FIPNYOVQPKZRST-UZLBHIALSA-N 0 0 454.514 4.514 20 0 JJADRN CC[C@@H](c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545728529 1066985932 /nfs/dbraw/zinc/98/59/32/1066985932.db2.gz MXTVFRYWPOWIKQ-DHIUTWEWSA-N 0 0 450.631 4.784 20 0 JJADRN CON(C)C(=O)c1cc(F)ccc1NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl ZINC001449157904 1066985918 /nfs/dbraw/zinc/98/59/18/1066985918.db2.gz DHNKKQUMWGLNEE-UHFFFAOYSA-N 0 0 457.893 4.515 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)[C@@H](C)c3ccccn3)c2c1C ZINC001458141108 1066986251 /nfs/dbraw/zinc/98/62/51/1066986251.db2.gz KPSZGNXGDYDGCI-KRWDZBQOSA-N 0 0 453.612 4.755 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1CC1(C)CCCC1)c1ccccc1 ZINC001545728758 1066986272 /nfs/dbraw/zinc/98/62/72/1066986272.db2.gz QUYFUAFJSPXMDV-YFNKSVMNSA-N 0 0 481.685 4.768 20 0 JJADRN Cc1c(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cnn1-c1cc(C)ccc1C ZINC001458140622 1066986378 /nfs/dbraw/zinc/98/63/78/1066986378.db2.gz KKTRKBNOMIPBSF-UHFFFAOYSA-N 0 0 451.592 4.831 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H](C)C2CCC2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001545728702 1066986457 /nfs/dbraw/zinc/98/64/57/1066986457.db2.gz PUAVQHDFVCXMHF-WWPVKYPJSA-N 0 0 458.672 4.802 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC001449167602 1066986652 /nfs/dbraw/zinc/98/66/52/1066986652.db2.gz CNXPMSZWIGARCU-HNNXBMFYSA-N 0 0 451.539 4.998 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C)c(I)c1 ZINC001458142171 1066986865 /nfs/dbraw/zinc/98/68/65/1066986865.db2.gz IBMBULXQTUREQK-SFHVURJKSA-N 0 0 458.727 4.626 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2ccc(CSc3nccn3C)o2)ccc1Cl ZINC001449169297 1066987020 /nfs/dbraw/zinc/98/70/20/1066987020.db2.gz VZOZQNZGYUXDOC-UHFFFAOYSA-N 0 0 450.973 4.985 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC001545729958 1066987115 /nfs/dbraw/zinc/98/71/15/1066987115.db2.gz NVJSAXKDOXFFDS-LLVKDONJSA-N 0 0 456.275 4.519 20 0 JJADRN CCNc1ccc(C)cc1C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001546011880 1066987505 /nfs/dbraw/zinc/98/75/05/1066987505.db2.gz WJOMCAYIJDMMFF-UHFFFAOYSA-N 0 0 457.618 4.991 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@H](OC)C(C)(C)C)c1ccccc1 ZINC001545730462 1066987589 /nfs/dbraw/zinc/98/75/89/1066987589.db2.gz AIDXZXPJXOODJA-UMTXDNHDSA-N 0 0 470.658 4.655 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001458148482 1066988260 /nfs/dbraw/zinc/98/82/60/1066988260.db2.gz RAQOCZZWYIYXOV-FQEVSTJZSA-N 0 0 458.440 4.631 20 0 JJADRN CC[C@H](c1nnc(N2CC(C)(OC)C2)n1Cc1sccc1Br)c1ccccc1 ZINC001545730725 1066988426 /nfs/dbraw/zinc/98/84/26/1066988426.db2.gz FDITUBATYYRTOY-INIZCTEOSA-N 0 0 461.429 4.917 20 0 JJADRN CN1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)C[C@@H]1Cc1ccccc1 ZINC001449182680 1066988569 /nfs/dbraw/zinc/98/85/69/1066988569.db2.gz YGINBPLLRDARNE-FQEVSTJZSA-N 0 0 451.014 4.957 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1 ZINC001458149750 1066988764 /nfs/dbraw/zinc/98/87/64/1066988764.db2.gz OESGPBXXTGKYML-IBGZPJMESA-N 0 0 459.571 4.582 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc(Br)ccc1OC ZINC001458150473 1066988788 /nfs/dbraw/zinc/98/87/88/1066988788.db2.gz BJOVBHGUFXEEIB-UHFFFAOYSA-N 0 0 458.356 4.704 20 0 JJADRN COCc1nc(C)cc(N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)n1 ZINC001458150807 1066988800 /nfs/dbraw/zinc/98/88/00/1066988800.db2.gz GDESDBQJXIGMFQ-FQEVSTJZSA-N 0 0 459.319 4.625 20 0 JJADRN CSc1nc(C(F)F)cc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1 ZINC001458149800 1066988826 /nfs/dbraw/zinc/98/88/26/1066988826.db2.gz XRROPSWYUYOBIV-UHFFFAOYSA-N 0 0 457.344 4.754 20 0 JJADRN Cc1cc(N2CCCCCC2)ccc1NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001449203403 1066988932 /nfs/dbraw/zinc/98/89/32/1066988932.db2.gz HCVAXAHZFWRRKJ-QHCPKHFHSA-N 0 0 452.599 4.845 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151380 1066989182 /nfs/dbraw/zinc/98/91/82/1066989182.db2.gz DQNYYODBRDRMFM-IIBYNOLFSA-N 0 0 451.945 4.931 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545731034 1066989543 /nfs/dbraw/zinc/98/95/43/1066989543.db2.gz JDHCSIJQSMULJE-PKOBYXMFSA-N 0 0 488.558 4.875 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731051 1066989554 /nfs/dbraw/zinc/98/95/54/1066989554.db2.gz JHTDMKUKYZGJAG-JDBUVZGPSA-N 0 0 497.684 4.985 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)S1(=O)=O ZINC001449209555 1066989570 /nfs/dbraw/zinc/98/95/70/1066989570.db2.gz UZVQPJZFNJWBGB-KPOBHBOGSA-N 0 0 456.391 4.538 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC001449210812 1066989584 /nfs/dbraw/zinc/98/95/84/1066989584.db2.gz BXPZRACOSUOELZ-INIZCTEOSA-N 0 0 452.942 4.703 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545731054 1066989789 /nfs/dbraw/zinc/98/97/89/1066989789.db2.gz JHTDMKUKYZGJAG-WNXIRNOKSA-N 0 0 497.684 4.985 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)c1O ZINC001449217257 1066990005 /nfs/dbraw/zinc/99/00/05/1066990005.db2.gz LHIUXBLHGFKQIC-UHFFFAOYSA-N 0 0 453.804 4.802 20 0 JJADRN C[S@@](=O)Cc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC001449220266 1066990407 /nfs/dbraw/zinc/99/04/07/1066990407.db2.gz XOBCOAYKDMODKY-WJOKGBTCSA-N 0 0 450.585 4.929 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)c1O ZINC001449221445 1066990490 /nfs/dbraw/zinc/99/04/90/1066990490.db2.gz QXWOTEHFQIVQPM-UHFFFAOYSA-N 0 0 456.882 4.845 20 0 JJADRN COC(=O)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001458155483 1066990688 /nfs/dbraw/zinc/99/06/88/1066990688.db2.gz PICZJNKNVJOJPC-OAHLLOKOSA-N 0 0 450.366 4.616 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154606 1066990738 /nfs/dbraw/zinc/99/07/38/1066990738.db2.gz OMEMKPQZPKMLRW-YADARESESA-N 0 0 451.611 4.718 20 0 JJADRN COCc1cnc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC001449227016 1066990790 /nfs/dbraw/zinc/99/07/90/1066990790.db2.gz KBZGRCPVJBXFHO-UHFFFAOYSA-N 0 0 451.548 4.545 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731427 1066991085 /nfs/dbraw/zinc/99/10/85/1066991085.db2.gz OCWOSWZLBVGRQI-GHCZAOPSSA-N 0 0 480.575 4.917 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(F)c(F)cc1Br ZINC001458156449 1066991195 /nfs/dbraw/zinc/99/11/95/1066991195.db2.gz FSZVVONNBQTZOZ-UHFFFAOYSA-N 0 0 452.704 4.573 20 0 JJADRN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001458155756 1066991337 /nfs/dbraw/zinc/99/13/37/1066991337.db2.gz RTERTAPVTUGZHP-MRXNPFEDSA-N 0 0 454.571 4.694 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1C[C@H](C)c1nc(C)cs1)c1ccccc1 ZINC001545731799 1066991669 /nfs/dbraw/zinc/99/16/69/1066991669.db2.gz SMUZCUYDGDWVEK-HVJHZFLKSA-N 0 0 469.655 4.629 20 0 JJADRN O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001449232363 1066991704 /nfs/dbraw/zinc/99/17/04/1066991704.db2.gz WOORMGBXORKMNA-HXUWFJFHSA-N 0 0 454.452 4.745 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21)C(=O)OC(C)(C)C ZINC001458158682 1066992258 /nfs/dbraw/zinc/99/22/58/1066992258.db2.gz PMCLMXKTRSTBML-ZDUSSCGKSA-N 0 0 456.340 4.519 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)c1ccccc1 ZINC001545731833 1066992235 /nfs/dbraw/zinc/99/22/35/1066992235.db2.gz SXBPSWXJSFQRIB-YQQAZPJKSA-N 0 0 496.965 4.888 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001449243389 1066992614 /nfs/dbraw/zinc/99/26/14/1066992614.db2.gz QZIDVZPUFQAQGO-AWEZNQCLSA-N 0 0 452.563 4.845 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)c(F)cc3Br)C2)c1 ZINC001458159650 1066992754 /nfs/dbraw/zinc/99/27/54/1066992754.db2.gz WQQOLUTVRLHQJF-CQSZACIVSA-N 0 0 451.311 4.835 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449261747 1066993083 /nfs/dbraw/zinc/99/30/83/1066993083.db2.gz QGQAZHKNSHKTPL-LAUBAEHRSA-N 0 0 459.775 4.524 20 0 JJADRN CS(=O)(=O)c1ccc(OCCNc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC001458162325 1066993233 /nfs/dbraw/zinc/99/32/33/1066993233.db2.gz NLHOAJYHKRGWBO-UHFFFAOYSA-N 0 0 453.951 4.845 20 0 JJADRN Cn1cc(CN(CCn2ccnc2)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC001449258696 1066993159 /nfs/dbraw/zinc/99/31/59/1066993159.db2.gz GESNOBZZYUODND-UHFFFAOYSA-N 0 0 459.516 4.566 20 0 JJADRN O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC001449249997 1066993210 /nfs/dbraw/zinc/99/32/10/1066993210.db2.gz PGRZVEWVNHLRBM-UHFFFAOYSA-N 0 0 450.901 4.816 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)s1 ZINC001458164891 1066993627 /nfs/dbraw/zinc/99/36/27/1066993627.db2.gz BKIQSUVHZAFGDB-IQFJDTOSSA-N 0 0 454.379 4.788 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC001458164782 1066993686 /nfs/dbraw/zinc/99/36/86/1066993686.db2.gz ORJOYBPIULAJEP-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449264472 1066994042 /nfs/dbraw/zinc/99/40/42/1066994042.db2.gz ZDYCTXHNPCZDBY-UHFFFAOYSA-N 0 0 455.946 4.977 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N2CC[C@H]2c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001449264215 1066994067 /nfs/dbraw/zinc/99/40/67/1066994067.db2.gz MHBFBUCDDSOGKC-UZLBHIALSA-N 0 0 456.999 4.872 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC001545732617 1066994099 /nfs/dbraw/zinc/99/40/99/1066994099.db2.gz JDPOKQLBIPRUDT-CABCVRRESA-N 0 0 453.967 4.674 20 0 JJADRN CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)C1CCCC1 ZINC001449265796 1066994082 /nfs/dbraw/zinc/99/40/82/1066994082.db2.gz PKWZKBUDUATTKV-UHFFFAOYSA-N 0 0 451.386 4.655 20 0 JJADRN Clc1ccccc1-n1cc(Nc2ncnc3cc(I)sc32)cn1 ZINC001458168336 1066994315 /nfs/dbraw/zinc/99/43/15/1066994315.db2.gz ZBPPYHCLUGXUMB-UHFFFAOYSA-N 0 0 453.696 4.879 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001545733154 1066994343 /nfs/dbraw/zinc/99/43/43/1066994343.db2.gz VGBZITHZIMPSLI-KBPBESRZSA-N 0 0 451.539 4.854 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)OC ZINC001546012599 1066994396 /nfs/dbraw/zinc/99/43/96/1066994396.db2.gz LCZVFNWWHRAAPR-DEOSSOPVSA-N 0 0 497.684 4.518 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC=C(C)CC1)NC(=O)OC(C)(C)C ZINC001546012609 1066994530 /nfs/dbraw/zinc/99/45/30/1066994530.db2.gz LIOMLDVPQVCURQ-NRFANRHFSA-N 0 0 469.630 4.934 20 0 JJADRN COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc(C)n(-c4cnccn4)c3C)c2)c1 ZINC001449269662 1066994587 /nfs/dbraw/zinc/99/45/87/1066994587.db2.gz ZAZMAAGMDWWMHX-UHFFFAOYSA-N 0 0 458.518 4.624 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)OC ZINC001546012600 1066994710 /nfs/dbraw/zinc/99/47/10/1066994710.db2.gz LCZVFNWWHRAAPR-XMMPIXPASA-N 0 0 497.684 4.518 20 0 JJADRN CC(C)c1nc(N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc(C(C)(C)C)n1 ZINC001458171203 1066995237 /nfs/dbraw/zinc/99/52/37/1066995237.db2.gz ZRDFIENHMXMMJK-MRXNPFEDSA-N 0 0 450.583 4.716 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545733565 1066995292 /nfs/dbraw/zinc/99/52/92/1066995292.db2.gz DNJITHBPXZUQGM-NZQKXSOJSA-N 0 0 483.657 4.858 20 0 JJADRN C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001449284513 1066995351 /nfs/dbraw/zinc/99/53/51/1066995351.db2.gz LCASIAQUJKRAKX-ZFWWWQNUSA-N 0 0 457.411 4.725 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545733660 1066995731 /nfs/dbraw/zinc/99/57/31/1066995731.db2.gz FYEALYUCJAUIIO-JOCHJYFZSA-N 0 0 475.559 4.777 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545733825 1066995971 /nfs/dbraw/zinc/99/59/71/1066995971.db2.gz IQSPPZRQSVAFDY-FGZHOGPDSA-N 0 0 460.688 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545733890 1066996437 /nfs/dbraw/zinc/99/64/37/1066996437.db2.gz JYQLELCSHQLMJE-SJLPKXTDSA-N 0 0 478.540 4.948 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1cscc1C(F)(F)F)c1ccccc1 ZINC001545733888 1066996463 /nfs/dbraw/zinc/99/64/63/1066996463.db2.gz JYQLELCSHQLMJE-AEFFLSMTSA-N 0 0 478.540 4.948 20 0 JJADRN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001458174143 1066996635 /nfs/dbraw/zinc/99/66/35/1066996635.db2.gz NEQWHGCWFOEBOZ-ZIAGYGMSSA-N 0 0 451.748 4.788 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)CCO2 ZINC001449305574 1066996671 /nfs/dbraw/zinc/99/66/71/1066996671.db2.gz XWZLBKALVXXJHK-FDDCHVKYSA-N 0 0 458.961 4.897 20 0 JJADRN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001458174142 1066996710 /nfs/dbraw/zinc/99/67/10/1066996710.db2.gz NEQWHGCWFOEBOZ-UONOGXRCSA-N 0 0 451.748 4.788 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001458174829 1066996800 /nfs/dbraw/zinc/99/68/00/1066996800.db2.gz SHIJZNVZAJHQSM-WNCULLNHSA-N 0 0 450.579 4.571 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)COC)c1ccccc1 ZINC001545734070 1066996782 /nfs/dbraw/zinc/99/67/82/1066996782.db2.gz MTKNFZASTFNNRT-RUZDIDTESA-N 0 0 495.712 4.968 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ncc(Cl)n1C)OC ZINC001546012994 1066997145 /nfs/dbraw/zinc/99/71/45/1066997145.db2.gz SFCNBMNBSZJMFK-CQSZACIVSA-N 0 0 487.819 4.612 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001546013031 1066997599 /nfs/dbraw/zinc/99/75/99/1066997599.db2.gz SQWXFFPXUMZYKM-IBGZPJMESA-N 0 0 473.593 4.680 20 0 JJADRN Cc1cc(C(=O)Oc2cccc(F)c2I)nn1-c1ccccc1Cl ZINC001458176903 1066997644 /nfs/dbraw/zinc/99/76/44/1066997644.db2.gz XCFAQFWLFMBFNI-UHFFFAOYSA-N 0 0 456.642 4.797 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCN(c3cccc(Br)c3)CC2)cc1 ZINC001449309201 1066997888 /nfs/dbraw/zinc/99/78/88/1066997888.db2.gz NWELUKOBBQXUDY-QFIPXVFZSA-N 0 0 459.428 4.909 20 0 JJADRN Cc1c(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)sc2nccc(C)c12 ZINC001449309280 1066997972 /nfs/dbraw/zinc/99/79/72/1066997972.db2.gz IUMBSLYFAXSFFW-UHFFFAOYSA-N 0 0 459.369 4.808 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545735431 1066998461 /nfs/dbraw/zinc/99/84/61/1066998461.db2.gz AEHMTVQWVBFHFA-HYBUGGRVSA-N 0 0 451.659 4.951 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2Cc2ccsc2Br)CCO1 ZINC001546097825 1066998617 /nfs/dbraw/zinc/99/86/17/1066998617.db2.gz QGPVVUSMIIFFMZ-IBGZPJMESA-N 0 0 482.473 4.511 20 0 JJADRN COC(=O)[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)Cc1cccc2ccccc21 ZINC001458180083 1066998652 /nfs/dbraw/zinc/99/86/52/1066998652.db2.gz KAXKKGWPPRSUBX-QGZVFWFLSA-N 0 0 451.466 4.577 20 0 JJADRN CCc1c(C(=O)NCc2ccc(COC3CCOCC3)cc2)cnn1-c1ccccc1Cl ZINC001458181991 1066998684 /nfs/dbraw/zinc/99/86/84/1066998684.db2.gz OYNHPLGMNOADKH-UHFFFAOYSA-N 0 0 453.970 4.714 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)c2cccnc2O1 ZINC001458180238 1066998692 /nfs/dbraw/zinc/99/86/92/1066998692.db2.gz BVABNVAWRGYZEU-XOBRGWDASA-N 0 0 457.299 4.917 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 ZINC001458182347 1066998950 /nfs/dbraw/zinc/99/89/50/1066998950.db2.gz KGOHFKLYMAHTOX-MRXNPFEDSA-N 0 0 452.352 4.859 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCC1(c3ccc(Br)s3)CCC1)C2 ZINC001449320683 1066998914 /nfs/dbraw/zinc/99/89/14/1066998914.db2.gz OJUFYCRWABUQDF-ILXRZTDVSA-N 0 0 469.445 4.837 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](C)[C@H]2CC)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545735834 1066999308 /nfs/dbraw/zinc/99/93/08/1066999308.db2.gz HKPHEHODXXUWTK-UEVCKROQSA-N 0 0 453.631 4.923 20 0 JJADRN Cc1cccc(C)c1CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC001458183760 1066999452 /nfs/dbraw/zinc/99/94/52/1066999452.db2.gz GRHPNXXCGQZIJR-SFHVURJKSA-N 0 0 452.551 4.512 20 0 JJADRN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC001449325832 1066999693 /nfs/dbraw/zinc/99/96/93/1066999693.db2.gz XQPQUPPXYRSVDK-UHFFFAOYSA-N 0 0 456.911 4.877 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)OC ZINC001546013128 1066999709 /nfs/dbraw/zinc/99/97/09/1066999709.db2.gz VESUTTMQHLPKFF-IRLDBZIGSA-N 0 0 496.656 4.730 20 0 JJADRN COc1cc(F)c([C@H](C)Nc2ncnc3c2c(Br)nn3C(C)(C)C)cc1OC ZINC001458184791 1066999783 /nfs/dbraw/zinc/99/97/83/1066999783.db2.gz XNOSFYRFRDEEOW-JTQLQIEISA-N 0 0 452.328 4.673 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545736092 1066999798 /nfs/dbraw/zinc/99/97/98/1066999798.db2.gz KTGMUQJWNSVYDY-IBGZPJMESA-N 0 0 465.564 4.904 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185449 1066999815 /nfs/dbraw/zinc/99/98/15/1066999815.db2.gz XHTLYTMDIUJLHH-GMAHTHKFSA-N 0 0 454.615 4.785 20 0 JJADRN 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C[C@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1cnc(-c2ccc(Br)cc2)s1 ZINC001458188296 1067000532 /nfs/dbraw/zinc/00/05/32/1067000532.db2.gz RPBKWGSPVLBZBU-ZDUSSCGKSA-N 0 0 459.365 4.909 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H](C)Cc1cccs1)c1ccccc1 ZINC001545736682 1067000866 /nfs/dbraw/zinc/00/08/66/1067000866.db2.gz UHXNUTGDRLOQQT-SNOBZRMMSA-N 0 0 465.667 4.723 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)(COC)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545736700 1067000954 /nfs/dbraw/zinc/00/09/54/1067000954.db2.gz UOWXNSRBAQAUPO-HSZRJFAPSA-N 0 0 497.684 4.940 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545736775 1067001071 /nfs/dbraw/zinc/00/10/71/1067001071.db2.gz VLUVNHCOEHDONK-HXUWFJFHSA-N 0 0 451.640 4.561 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC001449335128 1067001144 /nfs/dbraw/zinc/00/11/44/1067001144.db2.gz VSHDYQMDRZNPDE-UHFFFAOYSA-N 0 0 455.345 4.929 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1)c1ccc(Br)cc1 ZINC001449336256 1067001321 /nfs/dbraw/zinc/00/13/21/1067001321.db2.gz NLNWDFNYXIPIHR-HXUWFJFHSA-N 0 0 453.340 4.792 20 0 JJADRN O=C(CCSc1ccccc1F)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001458196117 1067001557 /nfs/dbraw/zinc/00/15/57/1067001557.db2.gz DNMYPKWWFQQQDN-UHFFFAOYSA-N 0 0 455.368 4.554 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC)C[C@@H]2C)cc1OCCC ZINC001449340771 1067001732 /nfs/dbraw/zinc/00/17/32/1067001732.db2.gz WPQZOLGDQGBFRI-FQEVSTJZSA-N 0 0 452.595 4.661 20 0 JJADRN CC[C@H](c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001545738118 1067001851 /nfs/dbraw/zinc/00/18/51/1067001851.db2.gz BZPGQXLYIWUFRX-QHCPKHFHSA-N 0 0 450.631 4.581 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@H](CO)O1)c1ccccc1 ZINC001545738043 1067001933 /nfs/dbraw/zinc/00/19/33/1067001933.db2.gz AOZXHGVFYLQMNR-HBMCJLEFSA-N 0 0 466.548 4.529 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(c2nc(C)ncc2I)C1 ZINC001458201229 1067002216 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USVMHBUZYDISBF-XUZZJYLKSA-N 0 0 474.074 4.892 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545738427 1067002938 /nfs/dbraw/zinc/00/29/38/1067002938.db2.gz HYWABWBMIOGIEM-ISKFKSNPSA-N 0 0 464.658 4.999 20 0 JJADRN CC(C)(C)Oc1ccc(CNc2ncnc3ccc(S(C)(=O)=O)cc32)c(C(F)(F)F)c1 ZINC001458208464 1067003164 /nfs/dbraw/zinc/00/31/64/1067003164.db2.gz VLDGXMRWJGCVBA-UHFFFAOYSA-N 0 0 453.486 4.842 20 0 JJADRN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC001458208530 1067003183 /nfs/dbraw/zinc/00/31/83/1067003183.db2.gz HSANJWNVOANIPZ-FQEVSTJZSA-N 0 0 456.633 4.845 20 0 JJADRN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC001458208533 1067003229 /nfs/dbraw/zinc/00/32/29/1067003229.db2.gz HSANJWNVOANIPZ-HXUWFJFHSA-N 0 0 456.633 4.845 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)co1 ZINC001458207634 1067003280 /nfs/dbraw/zinc/00/32/80/1067003280.db2.gz CCIWNQPDIYSKEL-HJWRWDBZSA-N 0 0 450.457 4.616 20 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CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC001449360395 1067003745 /nfs/dbraw/zinc/00/37/45/1067003745.db2.gz WBLRWBDSOIKVIT-BIBJVRPDSA-N 0 0 463.409 4.603 20 0 JJADRN CCc1ccc(N2CCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001449360925 1067003770 /nfs/dbraw/zinc/00/37/70/1067003770.db2.gz HYLYQUQIFPRZIB-LJQANCHMSA-N 0 0 452.039 4.881 20 0 JJADRN COC(=O)[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccc2ccccc2c1 ZINC001458210486 1067003870 /nfs/dbraw/zinc/00/38/70/1067003870.db2.gz CLBPCQGUDDJSRO-JOCHJYFZSA-N 0 0 456.336 4.792 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)c(=O)oc2c1 ZINC001458212162 1067003881 /nfs/dbraw/zinc/00/38/81/1067003881.db2.gz WWMVJXWJJHYMOJ-LJQANCHMSA-N 0 0 454.395 4.951 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545738933 1067003932 /nfs/dbraw/zinc/00/39/32/1067003932.db2.gz QIVRUVSERVOVRT-GMAHTHKFSA-N 0 0 463.626 4.913 20 0 JJADRN CC[C@H](c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCC1(F)CCC1)c1ccccc1 ZINC001545738889 1067004026 /nfs/dbraw/zinc/00/40/26/1067004026.db2.gz POCNXUCUGJTQGK-FQEVSTJZSA-N 0 0 495.565 4.997 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001449361360 1067004054 /nfs/dbraw/zinc/00/40/54/1067004054.db2.gz YKGODTFJCWLNRA-LOSJGSFVSA-N 0 0 450.966 4.670 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001449362153 1067004127 /nfs/dbraw/zinc/00/41/27/1067004127.db2.gz NGOBJNYSRCJBDG-UWJYYQICSA-N 0 0 450.023 4.587 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCO1)c1ccccc1 ZINC001545739142 1067004233 /nfs/dbraw/zinc/00/42/33/1067004233.db2.gz UNGNGPVOGHXYLG-DNQXCXABSA-N 0 0 495.668 4.906 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC=CCO1)c1ccccc1 ZINC001545739141 1067004281 /nfs/dbraw/zinc/00/42/81/1067004281.db2.gz UNGNGPVOGHXYLG-BJKOFHAPSA-N 0 0 495.668 4.906 20 0 JJADRN 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CCc1ccc(N2CCN(C(=O)CSc3nccn3-c3ccccc3C)CC2)cc1Cl ZINC001449366561 1067004990 /nfs/dbraw/zinc/00/49/90/1067004990.db2.gz YZSHEUVIQCZBEE-UHFFFAOYSA-N 0 0 455.027 4.837 20 0 JJADRN CC[C@@H](NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC001458216030 1067005160 /nfs/dbraw/zinc/00/51/60/1067005160.db2.gz YHJYQNPLZOSWJU-XMMPIXPASA-N 0 0 454.567 4.987 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3nc(C(C)C)n(-c4c(Cl)cccc4Cl)n3)CC2)cc1 ZINC001458215916 1067005194 /nfs/dbraw/zinc/00/51/94/1067005194.db2.gz NWIUVCKOUJFSDO-UHFFFAOYSA-N 0 0 458.393 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C[C@H]21 ZINC001458217411 1067005437 /nfs/dbraw/zinc/00/54/37/1067005437.db2.gz YVCIAEHEZDARAV-NSISKUIASA-N 0 0 459.587 4.644 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)NC(C)(C)CC(=O)N3CCN(c4ccccc4)CC3)s2)o1 ZINC001449379343 1067005621 /nfs/dbraw/zinc/00/56/21/1067005621.db2.gz RTIRUXOLJZXLJR-UHFFFAOYSA-N 0 0 451.592 4.564 20 0 JJADRN Cc1c2cc(Cl)ccc2oc1C(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 ZINC001449383512 1067005723 /nfs/dbraw/zinc/00/57/23/1067005723.db2.gz KJQTYTQQPCVNGO-UHFFFAOYSA-N 0 0 453.970 4.642 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001449378632 1067005750 /nfs/dbraw/zinc/00/57/50/1067005750.db2.gz ZJLPBESTCPOIQI-JOCHJYFZSA-N 0 0 456.464 4.757 20 0 JJADRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(=O)c1ccc(Br)s1 ZINC001449393621 1067005927 /nfs/dbraw/zinc/00/59/27/1067005927.db2.gz SGFHMUKJGCTVER-UHFFFAOYSA-N 0 0 456.321 4.884 20 0 JJADRN O=C(CNC(=O)c1ccccc1OC(F)F)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001449393571 1067006011 /nfs/dbraw/zinc/00/60/11/1067006011.db2.gz RHGTWVDCKASZBJ-PKOBYXMFSA-N 0 0 450.913 4.904 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](Nc3ncncc3-c3ccc(Br)cc3)C2)c1 ZINC001458219375 1067006161 /nfs/dbraw/zinc/00/61/61/1067006161.db2.gz IRKVZTHUONXFAB-QGZVFWFLSA-N 0 0 455.356 4.614 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545740766 1067006242 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JJADRN CC[C@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1c(C)noc1C)c1ccccc1 ZINC001545741668 1067008037 /nfs/dbraw/zinc/00/80/37/1067008037.db2.gz UQTHNDRBIFEYGL-VXKWHMMOSA-N 0 0 494.640 4.771 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)C(F)(F)F)cc1 ZINC001458230344 1067008182 /nfs/dbraw/zinc/00/81/82/1067008182.db2.gz LTXMNBJVWPSQFF-HXUWFJFHSA-N 0 0 451.395 4.681 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CCc4ccc(Br)cc4C3)c2)n1 ZINC001449409806 1067008125 /nfs/dbraw/zinc/00/81/25/1067008125.db2.gz LEAQCVMUGVGAPD-UHFFFAOYSA-N 0 0 453.340 4.504 20 0 JJADRN O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1nc(Cc2ccccc2)cs1 ZINC001458232389 1067008616 /nfs/dbraw/zinc/00/86/16/1067008616.db2.gz IXWPNWKSQUFBMO-UHFFFAOYSA-N 0 0 454.602 4.614 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC=CO1)c1ccccc1 ZINC001545741780 1067008623 /nfs/dbraw/zinc/00/86/23/1067008623.db2.gz WOEJKLZTWYJDOZ-RJGXRXQPSA-N 0 0 481.641 4.958 20 0 JJADRN COC(=O)CC1(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CCOCC1 ZINC001449416171 1067009044 /nfs/dbraw/zinc/00/90/44/1067009044.db2.gz WKQDQOVTBUHSKL-UHFFFAOYSA-N 0 0 450.560 4.567 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001546014178 1067009239 /nfs/dbraw/zinc/00/92/39/1067009239.db2.gz CYYPJTYDQLCVRO-ZWKOTPCHSA-N 0 0 496.077 4.752 20 0 JJADRN CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)c(C(F)(F)F)n1 ZINC001458240910 1067010008 /nfs/dbraw/zinc/01/00/08/1067010008.db2.gz BHTMIRHKYKSIBI-UHFFFAOYSA-N 0 0 452.477 4.628 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545743585 1067010086 /nfs/dbraw/zinc/01/00/86/1067010086.db2.gz NEDGDHQYYKUNNE-HXUWFJFHSA-N 0 0 455.557 4.736 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC1(C(N)=O)CCCC1)c1ccccc1 ZINC001545743405 1067010234 /nfs/dbraw/zinc/01/02/34/1067010234.db2.gz JUYZFPVHGBAHAE-QFIPXVFZSA-N 0 0 467.658 4.650 20 0 JJADRN CC[C@H](Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546014469 1067010179 /nfs/dbraw/zinc/01/01/79/1067010179.db2.gz JBAOMESVRNZMIL-GOSISDBHSA-N 0 0 456.566 4.648 20 0 JJADRN COC(=O)c1cnc(Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cn1 ZINC001458243336 1067010490 /nfs/dbraw/zinc/01/04/90/1067010490.db2.gz MLXWMKDQSHDJBZ-UHFFFAOYSA-N 0 0 453.252 4.535 20 0 JJADRN O=C(NC[C@@H]1CCCCS1(=O)=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001458241492 1067010592 /nfs/dbraw/zinc/01/05/92/1067010592.db2.gz CJBFANZCTCSOPO-QFBILLFUSA-N 0 0 458.432 4.910 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001449469341 1067010616 /nfs/dbraw/zinc/01/06/16/1067010616.db2.gz VTZLCIYDGYJONK-LJJBLSSYSA-N 0 0 450.441 4.692 20 0 JJADRN COc1cc(C(=O)Nc2c(Br)cc(F)cc2Br)cc2c1O[C@H](C)C2 ZINC001458243420 1067010761 /nfs/dbraw/zinc/01/07/61/1067010761.db2.gz HUFVAHKKOWIGIO-MRVPVSSYSA-N 0 0 459.109 4.935 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)ccc1N1CCOCC1 ZINC001458245183 1067011102 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454.379 4.872 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001458246501 1067011468 /nfs/dbraw/zinc/01/14/68/1067011468.db2.gz WSDORZBZNLTSAY-GOSISDBHSA-N 0 0 456.970 4.983 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC001458246120 1067011555 /nfs/dbraw/zinc/01/15/55/1067011555.db2.gz UEEQWMDGHFSQQN-UHFFFAOYSA-N 0 0 452.482 4.638 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNC(=O)C(C)(C)Cc1ccc(Br)c(C)c1 ZINC001449484488 1067011516 /nfs/dbraw/zinc/01/15/16/1067011516.db2.gz JRQAVKNOLRXKCP-GOSISDBHSA-N 0 0 454.792 4.838 20 0 JJADRN COC[C@H](CCO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1Cl ZINC001545744750 1067011591 /nfs/dbraw/zinc/01/15/91/1067011591.db2.gz LFGFDJOOWCHXIB-VZWFDDOASA-N 0 0 450.966 4.892 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](O)CNC(=O)C(C)(C)Cc1ccc(Br)c(C)c1 ZINC001449484513 1067011685 /nfs/dbraw/zinc/01/16/85/1067011685.db2.gz JRQAVKNOLRXKCP-SFHVURJKSA-N 0 0 454.792 4.838 20 0 JJADRN CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001546014753 1067011753 /nfs/dbraw/zinc/01/17/53/1067011753.db2.gz NLRHPGQPWDAFET-AFMDSPMNSA-N 0 0 487.645 4.795 20 0 JJADRN Cn1cc([C@H](NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c2ccccc2)cn1 ZINC001458248524 1067011733 /nfs/dbraw/zinc/01/17/33/1067011733.db2.gz XGKKBFWNKVRMMG-RUZDIDTESA-N 0 0 458.587 4.962 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001458248211 1067011755 /nfs/dbraw/zinc/01/17/55/1067011755.db2.gz QZFGILBOZRIOFJ-ZHRRBRCNSA-N 0 0 452.448 4.503 20 0 JJADRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001458248889 1067011774 /nfs/dbraw/zinc/01/17/74/1067011774.db2.gz UJIHKIBNXJYVEV-MRVPVSSYSA-N 0 0 458.200 4.581 20 0 JJADRN O=C(NC[C@@H]1CCCCS1(=O)=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001458248095 1067011796 /nfs/dbraw/zinc/01/17/96/1067011796.db2.gz VTZWMHRAYPYUPB-IBGZPJMESA-N 0 0 458.432 4.983 20 0 JJADRN O=C(Cc1nc(-c2ccccc2)cs1)Nc1cc(N2CCOCC2)ccc1Br ZINC001449493822 1067011951 /nfs/dbraw/zinc/01/19/51/1067011951.db2.gz JOKDGTPSFYKUHV-UHFFFAOYSA-N 0 0 458.381 4.590 20 0 JJADRN Cc1ccc(I)c(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC001458249193 1067012120 /nfs/dbraw/zinc/01/21/20/1067012120.db2.gz VETCMBMEIQERRG-INIZCTEOSA-N 0 0 451.201 4.946 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 ZINC001458251476 1067012220 /nfs/dbraw/zinc/01/22/20/1067012220.db2.gz BKTSTNVGNFKVFE-UHFFFAOYSA-N 0 0 453.505 4.971 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCO[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545745651 1067012355 /nfs/dbraw/zinc/01/23/55/1067012355.db2.gz DUDUVVAOEMDJMB-SCDRESIJSA-N 0 0 467.658 4.507 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)OC ZINC001546014971 1067012342 /nfs/dbraw/zinc/01/23/42/1067012342.db2.gz RDKXPPCOVJXXNA-RTWAWAEBSA-N 0 0 487.714 4.683 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545745645 1067012449 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SJQPTRGJXPXEAL-QZTJIDSGSA-N 0 0 472.577 4.852 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)OC ZINC001546015027 1067012767 /nfs/dbraw/zinc/01/27/67/1067012767.db2.gz SJQPTRGJXPXEAL-MSOLQXFVSA-N 0 0 472.577 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC001458253206 1067012801 /nfs/dbraw/zinc/01/28/01/1067012801.db2.gz FVPIQNOWGZJILF-UHFFFAOYSA-N 0 0 451.405 4.634 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458254555 1067012910 /nfs/dbraw/zinc/01/29/10/1067012910.db2.gz GINIJZATZDGQGS-KNQAVFIVSA-N 0 0 459.880 4.754 20 0 JJADRN COCCOc1ccc(CC(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)cc1 ZINC001458252999 1067012945 /nfs/dbraw/zinc/01/29/45/1067012945.db2.gz MYCQZBOSEAJPHA-UHFFFAOYSA-N 0 0 454.567 4.889 20 0 JJADRN C[C@](CO)(NC(=O)c1csc(COc2ccc(F)cc2)n1)c1cc(Cl)cc(Cl)c1 ZINC001449527041 1067013099 /nfs/dbraw/zinc/01/30/99/1067013099.db2.gz BAXUTCKWEBLBKY-HXUWFJFHSA-N 0 0 455.338 4.806 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC1(SC)CC1)c1ccccc1 ZINC001545745901 1067013043 /nfs/dbraw/zinc/01/30/43/1067013043.db2.gz IBVPMLFBUWOGNF-IFMALSPDSA-N 0 0 469.699 4.704 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC1(SC)CC1)c1ccccc1 ZINC001545745904 1067013219 /nfs/dbraw/zinc/01/32/19/1067013219.db2.gz IBVPMLFBUWOGNF-UNMCSNQZSA-N 0 0 469.699 4.704 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCc3c(NC(=O)OC(C)(C)C)ccc(C)c32)C1 ZINC001458253577 1067013268 /nfs/dbraw/zinc/01/32/68/1067013268.db2.gz OCAWHKDJEJKFEZ-MJGOQNOKSA-N 0 0 457.615 4.906 20 0 JJADRN COC(=O)c1cnc(N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1C(F)(F)F ZINC001458253880 1067013284 /nfs/dbraw/zinc/01/32/84/1067013284.db2.gz LZCLMDDXLMHPAU-FQEVSTJZSA-N 0 0 457.452 4.573 20 0 JJADRN CC[C@H](Cn1c(N(C)CC2CCCCC2)nnc1[C@]1(OC(C)C)CCOC1)NC(=O)OC(C)(C)C ZINC001546015184 1067013372 /nfs/dbraw/zinc/01/33/72/1067013372.db2.gz VRQVWEMIDDGWLJ-RLWLMLJZSA-N 0 0 493.693 4.639 20 0 JJADRN COC(=O)Nc1ccc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc1F ZINC001458254860 1067013532 /nfs/dbraw/zinc/01/35/32/1067013532.db2.gz IBCNDZQENUMECZ-UHFFFAOYSA-N 0 0 451.170 4.917 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001458254979 1067013617 /nfs/dbraw/zinc/01/36/17/1067013617.db2.gz SARIIMGEOARCCP-RDJZCZTQSA-N 0 0 452.477 4.865 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)CCCNC(=O)c1ccccc1)CCC2 ZINC001458255207 1067013640 /nfs/dbraw/zinc/01/36/40/1067013640.db2.gz SLJLJJXHWLJEBU-UHFFFAOYSA-N 0 0 451.567 4.831 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1F)C1CC1)OC ZINC001546015220 1067013649 /nfs/dbraw/zinc/01/36/49/1067013649.db2.gz WDLPKOXZESKAMO-ZVDOUQERSA-N 0 0 487.620 4.782 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H]3CO)n2-c2ccccc2)cc1 ZINC001449535462 1067013680 /nfs/dbraw/zinc/01/36/80/1067013680.db2.gz DZHQXKDSXVTPNA-DENIHFKCSA-N 0 0 464.635 4.601 20 0 JJADRN COc1ccc(C2(C(=O)N[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC001458256440 1067013822 /nfs/dbraw/zinc/01/38/22/1067013822.db2.gz KNYDAHOWJFLXDU-GMAHTHKFSA-N 0 0 458.961 4.776 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCN(C)CC(F)(F)F)c1ccccc1 ZINC001545746262 1067013878 /nfs/dbraw/zinc/01/38/78/1067013878.db2.gz MDMZVNWVRFVSAR-NZQKXSOJSA-N 0 0 467.580 4.710 20 0 JJADRN Cc1cc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)cnc1N1CCCC[C@H]1C ZINC001458257895 1067014565 /nfs/dbraw/zinc/01/45/65/1067014565.db2.gz LQEVTNNAXOOFET-RHSMWYFYSA-N 0 0 457.372 4.596 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)OCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)sc21 ZINC001458258179 1067014686 /nfs/dbraw/zinc/01/46/86/1067014686.db2.gz XRDLDEWQXYTTHG-UHFFFAOYSA-N 0 0 458.277 4.817 20 0 JJADRN CC(C)(C)NS(=O)(=O)CC(=O)N[C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001546015500 1067014806 /nfs/dbraw/zinc/01/48/06/1067014806.db2.gz BRVIZASYJGARCW-HSZRJFAPSA-N 0 0 458.624 4.934 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001449570001 1067014882 /nfs/dbraw/zinc/01/48/82/1067014882.db2.gz IYBXZEWWCPSJGW-XUVXKRRUSA-N 0 0 464.484 4.952 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458259454 1067014928 /nfs/dbraw/zinc/01/49/28/1067014928.db2.gz QVBIDXVNVOZRPN-PXNSSMCTSA-N 0 0 457.304 4.761 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458259460 1067015003 /nfs/dbraw/zinc/01/50/03/1067015003.db2.gz QVBIDXVNVOZRPN-YLJYHZDGSA-N 0 0 457.304 4.761 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC(C)(C)C(C)(C)O ZINC001449570416 1067015101 /nfs/dbraw/zinc/01/51/01/1067015101.db2.gz ORBAROOGGQOKKG-AWEZNQCLSA-N 0 0 459.637 4.599 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545746677 1067015219 /nfs/dbraw/zinc/01/52/19/1067015219.db2.gz SSYZBWZQDKARBD-IFMALSPDSA-N 0 0 485.673 4.722 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458260375 1067015397 /nfs/dbraw/zinc/01/53/97/1067015397.db2.gz AIWZUPZJOSCZFO-NTISIGRKSA-N 0 0 450.888 4.728 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C)C2)n1CCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545746901 1067015501 /nfs/dbraw/zinc/01/55/01/1067015501.db2.gz WXWUUQKHJIDKGV-HKUYNNGSSA-N 0 0 473.547 4.977 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545746728 1067015785 /nfs/dbraw/zinc/01/57/85/1067015785.db2.gz UCRQVRPVKQINLG-YIXXDRMTSA-N 0 0 467.658 4.618 20 0 JJADRN COc1ncc(Br)c(N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001458260666 1067015837 /nfs/dbraw/zinc/01/58/37/1067015837.db2.gz JNOPHOFPFISGLD-CQSZACIVSA-N 0 0 450.381 4.528 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](C)CC2)n1CC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001545746977 1067015960 /nfs/dbraw/zinc/01/59/60/1067015960.db2.gz XTNXXFWTCNCRIY-OFNKIYASSA-N 0 0 453.631 4.925 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCCNC(=O)C1CCC1)c1ccccc1 ZINC001545746966 1067016124 /nfs/dbraw/zinc/01/61/24/1067016124.db2.gz XRUNSIQGWKQKHU-NHCUHLMSSA-N 0 0 477.575 4.905 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccn(Cc3ccccc3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458266208 1067016508 /nfs/dbraw/zinc/01/65/08/1067016508.db2.gz NMISKDUFRRJOLI-VWNXMTODSA-N 0 0 453.945 4.809 20 0 JJADRN Brc1cccnc1N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458267099 1067016631 /nfs/dbraw/zinc/01/66/31/1067016631.db2.gz JVBHBGDNIGEPST-UHFFFAOYSA-N 0 0 452.396 4.772 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1cc(C)on1)c1ccccc1 ZINC001545747095 1067016605 /nfs/dbraw/zinc/01/66/05/1067016605.db2.gz ZCZQOIOCNWXXFS-OFNKIYASSA-N 0 0 478.641 4.543 20 0 JJADRN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)C1(C)C ZINC001458270723 1067016920 /nfs/dbraw/zinc/01/69/20/1067016920.db2.gz ATJCHINFFRRMFN-OBVPDXSSSA-N 0 0 454.368 4.849 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC001449598594 1067016903 /nfs/dbraw/zinc/01/69/03/1067016903.db2.gz RLOHVHGHSATHQZ-QRWLVFNGSA-N 0 0 456.783 4.949 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545748411 1067017036 /nfs/dbraw/zinc/01/70/36/1067017036.db2.gz AJHXYGIWWLORJK-IFMALSPDSA-N 0 0 480.682 4.764 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC1(SC)CCC1)c1ccccc1 ZINC001545748438 1067017053 /nfs/dbraw/zinc/01/70/53/1067017053.db2.gz ANTYFOFVHMYSCL-YADHBBJMSA-N 0 0 469.699 4.847 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545748413 1067017154 /nfs/dbraw/zinc/01/71/54/1067017154.db2.gz AJHXYGIWWLORJK-RBBKRZOGSA-N 0 0 480.682 4.764 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC1(SC)CCC1)c1ccccc1 ZINC001545748437 1067017170 /nfs/dbraw/zinc/01/71/70/1067017170.db2.gz ANTYFOFVHMYSCL-VXKWHMMOSA-N 0 0 469.699 4.847 20 0 JJADRN COc1ccc([C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458270908 1067017199 /nfs/dbraw/zinc/01/71/99/1067017199.db2.gz DEGNNTOERWOWCS-HXUWFJFHSA-N 0 0 452.473 4.787 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449608383 1067017354 /nfs/dbraw/zinc/01/73/54/1067017354.db2.gz PHCUIWGXISUKQH-CYBMUJFWSA-N 0 0 455.332 4.871 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449608388 1067017491 /nfs/dbraw/zinc/01/74/91/1067017491.db2.gz PHCUIWGXISUKQH-ZDUSSCGKSA-N 0 0 455.332 4.871 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cn(-c3ccccc3)nn2)c2ccc(C(F)(F)F)cc2)cc1 ZINC001458272873 1067018002 /nfs/dbraw/zinc/01/80/02/1067018002.db2.gz PXGRCAMQAVPJNA-QFIPXVFZSA-N 0 0 452.436 4.814 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1CCc1nc(C)c(C)s1)c1ccccc1 ZINC001545748751 1067018271 /nfs/dbraw/zinc/01/82/71/1067018271.db2.gz FKUFTTGRCDGWHC-IFMALSPDSA-N 0 0 453.656 4.999 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1sc(C)nc1C)c1ccccc1 ZINC001545748829 1067018512 /nfs/dbraw/zinc/01/85/12/1067018512.db2.gz GHBNYHDEKDIGFZ-FCHUYYIVSA-N 0 0 469.655 4.573 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2nn(-c3c(F)cccc3F)cc2C)c(Br)c1 ZINC001458273934 1067018545 /nfs/dbraw/zinc/01/85/45/1067018545.db2.gz FBUQJXAURMMXBH-GFCCVEGCSA-N 0 0 450.283 4.721 20 0 JJADRN Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC001449636318 1067018841 /nfs/dbraw/zinc/01/88/41/1067018841.db2.gz TXHJAVBGGPANJK-GOSISDBHSA-N 0 0 453.380 4.709 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545748914 1067018986 /nfs/dbraw/zinc/01/89/86/1067018986.db2.gz HCLGCPKBOAIWAR-GOTSBHOMSA-N 0 0 469.674 4.766 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001458275420 1067019067 /nfs/dbraw/zinc/01/90/67/1067019067.db2.gz KRYAWJHGHMQQKX-INIZCTEOSA-N 0 0 459.527 4.815 20 0 JJADRN CC(C)c1nc(N(C)C)nc(N(Cc2ccccn2)Cc2ccc(Br)cc2F)n1 ZINC001458274621 1067019093 /nfs/dbraw/zinc/01/90/93/1067019093.db2.gz CYUQLJVDNUOLEO-UHFFFAOYSA-N 0 0 459.367 4.564 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001458275432 1067019130 /nfs/dbraw/zinc/01/91/30/1067019130.db2.gz KRYAWJHGHMQQKX-MRXNPFEDSA-N 0 0 459.527 4.815 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545749076 1067019315 /nfs/dbraw/zinc/01/93/15/1067019315.db2.gz JSGKWDXSCDLIBE-YADHBBJMSA-N 0 0 465.667 4.964 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)c1ccccc1 ZINC001545749065 1067019447 /nfs/dbraw/zinc/01/94/47/1067019447.db2.gz JLOPGMPIRDULEM-FCHUYYIVSA-N 0 0 483.657 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C)c1ccccc1 ZINC001458279226 1067019979 /nfs/dbraw/zinc/01/99/79/1067019979.db2.gz SPYXGYBSLSPOES-HXUWFJFHSA-N 0 0 459.631 4.528 20 0 JJADRN CC[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1cc(C)ccc1OC ZINC001458278501 1067020063 /nfs/dbraw/zinc/02/00/63/1067020063.db2.gz FLHPSHOCLKKIFK-PWHSHALESA-N 0 0 459.608 4.978 20 0 JJADRN CC[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)c1cc(C)ccc1OC ZINC001458278506 1067020077 /nfs/dbraw/zinc/02/00/77/1067020077.db2.gz FLHPSHOCLKKIFK-SELNLUPBSA-N 0 0 459.608 4.978 20 0 JJADRN CC[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)c1cc(C)ccc1OC ZINC001458278523 1067020151 /nfs/dbraw/zinc/02/01/51/1067020151.db2.gz FLHPSHOCLKKIFK-YYDVJCTNSA-N 0 0 459.608 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC001449684950 1067020153 /nfs/dbraw/zinc/02/01/53/1067020153.db2.gz BUSKMSDGUCUMKW-ROUUACIJSA-N 0 0 458.990 4.635 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2c2ccsc2)n1CCS(=O)(=O)CC)c1ccccc1 ZINC001545749459 1067020298 /nfs/dbraw/zinc/02/02/98/1067020298.db2.gz OHGVTMCVFZRWAP-RTWAWAEBSA-N 0 0 458.653 4.658 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCS(=O)(=O)CC)c1ccccc1 ZINC001545749457 1067020327 /nfs/dbraw/zinc/02/03/27/1067020327.db2.gz OHGVTMCVFZRWAP-LEWJYISDSA-N 0 0 458.653 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545749462 1067020342 /nfs/dbraw/zinc/02/03/42/1067020342.db2.gz OHVSZZXHMNIUPF-NHCUHLMSSA-N 0 0 476.547 4.573 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449692169 1067020730 /nfs/dbraw/zinc/02/07/30/1067020730.db2.gz HXUMSQNXJNUMJL-XSDIEEQYSA-N 0 0 479.662 4.566 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545749689 1067020964 /nfs/dbraw/zinc/02/09/64/1067020964.db2.gz REHMGPCMVJFHOE-NFBKMPQASA-N 0 0 483.657 4.550 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1Br ZINC001449694440 1067021281 /nfs/dbraw/zinc/02/12/81/1067021281.db2.gz JZJXUXHFSZUFIA-CABCVRRESA-N 0 0 457.434 4.928 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545749899 1067021348 /nfs/dbraw/zinc/02/13/48/1067021348.db2.gz VMAKCKRRLUVNBD-RTWAWAEBSA-N 0 0 467.589 4.827 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545749897 1067021432 /nfs/dbraw/zinc/02/14/32/1067021432.db2.gz VMAKCKRRLUVNBD-LEWJYISDSA-N 0 0 467.589 4.827 20 0 JJADRN COCc1cc(N2CCC[C@H]2c2ccc(I)cc2)nc(C(C)(C)C)n1 ZINC001458284946 1067021558 /nfs/dbraw/zinc/02/15/58/1067021558.db2.gz GVPJQSQWDZSUTI-KRWDZBQOSA-N 0 0 451.352 4.867 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 ZINC001458285896 1067021575 /nfs/dbraw/zinc/02/15/75/1067021575.db2.gz BWROSVDJGPALBB-UHFFFAOYSA-N 0 0 455.477 4.873 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)c2ncnc(CC(C)C)c2I)cc1 ZINC001458284790 1067021601 /nfs/dbraw/zinc/02/16/01/1067021601.db2.gz GEUXMEQTHAJMCG-HNNXBMFYSA-N 0 0 453.368 4.603 20 0 JJADRN Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 ZINC001449706493 1067022036 /nfs/dbraw/zinc/02/20/36/1067022036.db2.gz SXUBGDFPUGXKNJ-HXUWFJFHSA-N 0 0 458.505 4.601 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H]1CCCOC1)c1ccccc1 ZINC001545750160 1067022378 /nfs/dbraw/zinc/02/23/78/1067022378.db2.gz YTKLZTMNWVBOSP-HLAWJBBLSA-N 0 0 466.548 4.794 20 0 JJADRN CCOc1ccc(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1OCC ZINC001458289728 1067022469 /nfs/dbraw/zinc/02/24/69/1067022469.db2.gz HPINMKXDMMQAPM-FQEVSTJZSA-N 0 0 457.445 4.543 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545750162 1067022540 /nfs/dbraw/zinc/02/25/40/1067022540.db2.gz YTKLZTMNWVBOSP-SESVDKBCSA-N 0 0 466.548 4.794 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(OCCC)c1 ZINC001449712378 1067022606 /nfs/dbraw/zinc/02/26/06/1067022606.db2.gz XTWFLFNKWMVPFK-LJQANCHMSA-N 0 0 456.530 4.639 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545751283 1067022747 /nfs/dbraw/zinc/02/27/47/1067022747.db2.gz CCIUQYCOWCHWFC-FQEVSTJZSA-N 0 0 478.588 4.708 20 0 JJADRN CC[C@H](c1nnc(N2CCCOCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545751210 1067022760 /nfs/dbraw/zinc/02/27/60/1067022760.db2.gz AWJDZSDXDLENBV-IRLDBZIGSA-N 0 0 471.646 4.550 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545751284 1067022946 /nfs/dbraw/zinc/02/29/46/1067022946.db2.gz CCIUQYCOWCHWFC-HXUWFJFHSA-N 0 0 478.588 4.708 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3ncsc3Nc3ccccc3)C2)C1 ZINC001449715341 1067022997 /nfs/dbraw/zinc/02/29/97/1067022997.db2.gz VTGJPCZBPVHQEN-QZTJIDSGSA-N 0 0 456.612 4.996 20 0 JJADRN CC[C@@H](Cn1c(N2CCC(CNC(=O)OC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546016411 1067023011 /nfs/dbraw/zinc/02/30/11/1067023011.db2.gz DAIKGLQKUUPYSN-QHCPKHFHSA-N 0 0 497.684 4.914 20 0 JJADRN CCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC001458294066 1067023118 /nfs/dbraw/zinc/02/31/18/1067023118.db2.gz SIMFERYXXNLWAP-GOSISDBHSA-N 0 0 454.876 4.679 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@H](COC)C2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545751326 1067023519 /nfs/dbraw/zinc/02/35/19/1067023519.db2.gz DFTNDMPURYSWAT-LADGPHEKSA-N 0 0 470.658 4.516 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)C2(c3cccs3)CCCCC2)cc1Br ZINC001449733335 1067023707 /nfs/dbraw/zinc/02/37/07/1067023707.db2.gz QBIOXFJKUPRJPH-SFHVURJKSA-N 0 0 450.442 4.988 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1F ZINC001458295362 1067024122 /nfs/dbraw/zinc/02/41/22/1067024122.db2.gz XGGQOMIGPDZCQC-GPVYEGESSA-N 0 0 457.420 4.683 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001449739940 1067024329 /nfs/dbraw/zinc/02/43/29/1067024329.db2.gz GHJUNXYKXRTEIM-ZWKOTPCHSA-N 0 0 455.640 4.612 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001449742471 1067024687 /nfs/dbraw/zinc/02/46/87/1067024687.db2.gz LBKIEANMFCVKCC-NHCUHLMSSA-N 0 0 450.023 4.600 20 0 JJADRN COC[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001449744084 1067024782 /nfs/dbraw/zinc/02/47/82/1067024782.db2.gz MIALNOGQZZJYQQ-BGXYPJKESA-N 0 0 451.007 4.754 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c2nccc(C)c2c1 ZINC001458297437 1067024797 /nfs/dbraw/zinc/02/47/97/1067024797.db2.gz SZHZIKIUMPBXFZ-NRFANRHFSA-N 0 0 455.480 4.791 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1 ZINC001458298276 1067024913 /nfs/dbraw/zinc/02/49/13/1067024913.db2.gz WNCMTGKJLXSGMQ-UHFFFAOYSA-N 0 0 456.340 4.520 20 0 JJADRN COC[C@@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC001449742737 1067024853 /nfs/dbraw/zinc/02/48/53/1067024853.db2.gz LAORLHUTBKSXEY-DENIHFKCSA-N 0 0 458.986 4.721 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001545751679 1067025038 /nfs/dbraw/zinc/02/50/38/1067025038.db2.gz JQIMYWWMHMFZGM-RTWAWAEBSA-N 0 0 459.585 4.704 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)C(F)(F)F ZINC001458300513 1067025112 /nfs/dbraw/zinc/02/51/12/1067025112.db2.gz CMBZKGBRALWLFN-OAQYLSRUSA-N 0 0 457.431 4.847 20 0 JJADRN CC(C)[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC001449746132 1067025277 /nfs/dbraw/zinc/02/52/77/1067025277.db2.gz VKMUFZPBILTUOI-VBKZILBWSA-N 0 0 456.783 4.949 20 0 JJADRN CN(C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001449747848 1067025302 /nfs/dbraw/zinc/02/53/02/1067025302.db2.gz GXCZKPYZZQOPJL-ONFJWFQXSA-N 0 0 450.579 4.883 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001545751744 1067025388 /nfs/dbraw/zinc/02/53/88/1067025388.db2.gz KMSSFOLSZPNDPG-JBRSBNLGSA-N 0 0 481.685 4.720 20 0 JJADRN COc1ccc([C@H](C)OC(=O)CSCC(=O)Nc2ccc(C)cc2)c(Br)c1 ZINC001458302651 1067025611 /nfs/dbraw/zinc/02/56/11/1067025611.db2.gz MPKNFCFSYZEJIH-AWEZNQCLSA-N 0 0 452.370 4.742 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c(F)c1 ZINC001449758647 1067025928 /nfs/dbraw/zinc/02/59/28/1067025928.db2.gz XALGUVCFNIWOJY-UHFFFAOYSA-N 0 0 455.483 4.631 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(c1ccc(N(C)C)cc1)[C@@H](C)c1ccccn1 ZINC001458308618 1067026029 /nfs/dbraw/zinc/02/60/29/1067026029.db2.gz JSPNFZQVJCGBPS-CCLHPLFOSA-N 0 0 456.590 4.778 20 0 JJADRN Cc1c(CC(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)nnn1-c1ccc(C)cc1 ZINC001458307657 1067026143 /nfs/dbraw/zinc/02/61/43/1067026143.db2.gz FGTBGZRZQMCCEF-FQEVSTJZSA-N 0 0 454.578 4.682 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](SC)C2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001545751955 1067026156 /nfs/dbraw/zinc/02/61/56/1067026156.db2.gz NYWUUKKTXHWHAG-RTWAWAEBSA-N 0 0 457.688 4.847 20 0 JJADRN CC(C)Cc1ncnc(N2Cc3ccc(Br)cc3C2)c1I ZINC001458310348 1067026343 /nfs/dbraw/zinc/02/63/43/1067026343.db2.gz PTVQDQPLRUDPOH-UHFFFAOYSA-N 0 0 458.141 4.562 20 0 JJADRN C[C@@H](c1ccccn1)N(C(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1ccc(N(C)C)cc1 ZINC001458310989 1067026435 /nfs/dbraw/zinc/02/64/35/1067026435.db2.gz UQKVEIMZOLGQLA-INIZCTEOSA-N 0 0 459.518 4.552 20 0 JJADRN C[C@@H](c1ccccn1)N(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC001458311041 1067026494 /nfs/dbraw/zinc/02/64/94/1067026494.db2.gz VODJIXUPXMTKKN-IBGZPJMESA-N 0 0 455.562 4.914 20 0 JJADRN C[C@H](c1ccccn1)N(C(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1ccc(N(C)C)cc1 ZINC001458310990 1067026536 /nfs/dbraw/zinc/02/65/36/1067026536.db2.gz UQKVEIMZOLGQLA-MRXNPFEDSA-N 0 0 459.518 4.552 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545752126 1067026557 /nfs/dbraw/zinc/02/65/57/1067026557.db2.gz RGRLBRFTWDNSQU-CEMLEFRQSA-N 0 0 479.591 4.567 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)c2cc(OC)ccc21 ZINC001449769495 1067026735 /nfs/dbraw/zinc/02/67/35/1067026735.db2.gz VMKJQLPOMBUUMU-INIZCTEOSA-N 0 0 454.567 4.755 20 0 JJADRN Cc1ccsc1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001458311512 1067027111 /nfs/dbraw/zinc/02/71/11/1067027111.db2.gz CIZODCXPJCSEQN-QGZVFWFLSA-N 0 0 453.402 4.744 20 0 JJADRN CC[C@@H](c1nnc(N2CCCO[C@H](C)C2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545752192 1067026947 /nfs/dbraw/zinc/02/69/47/1067026947.db2.gz SGHAYAFZLSVCON-NVXWUHKLSA-N 0 0 465.545 4.959 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545752157 1067026962 /nfs/dbraw/zinc/02/69/62/1067026962.db2.gz RTGJJOCXMBMIRB-MOPGFXCFSA-N 0 0 472.577 4.566 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545752160 1067027026 /nfs/dbraw/zinc/02/70/26/1067027026.db2.gz RTGJJOCXMBMIRB-RTBURBONSA-N 0 0 472.577 4.566 20 0 JJADRN CC[C@H](c1nnc(N2CCCO[C@@H](C)C2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545752193 1067027158 /nfs/dbraw/zinc/02/71/58/1067027158.db2.gz SGHAYAFZLSVCON-RDJZCZTQSA-N 0 0 465.545 4.959 20 0 JJADRN Cc1c(CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1-c1ccc(C)cc1 ZINC001458313775 1067027343 /nfs/dbraw/zinc/02/73/43/1067027343.db2.gz FCFHGGAAHSWCCW-IBGZPJMESA-N 0 0 456.390 4.865 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1(C(C)C)CC1)c1ccccc1 ZINC001545752401 1067027988 /nfs/dbraw/zinc/02/79/88/1067027988.db2.gz WXRDFORDNHKMAV-HSZRJFAPSA-N 0 0 451.659 4.951 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](SC)C2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001545752422 1067028002 /nfs/dbraw/zinc/02/80/02/1067028002.db2.gz XHZCBSVKLXYUBA-GOTSBHOMSA-N 0 0 471.715 4.653 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545752465 1067028337 /nfs/dbraw/zinc/02/83/37/1067028337.db2.gz YALWSMQSKBSQLZ-VXKWHMMOSA-N 0 0 472.680 4.642 20 0 JJADRN COc1cc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc(OC)c1Br ZINC001458317411 1067028543 /nfs/dbraw/zinc/02/85/43/1067028543.db2.gz UJCZGIWHZWTPDA-UHFFFAOYSA-N 0 0 455.308 4.971 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001458316032 1067028582 /nfs/dbraw/zinc/02/85/82/1067028582.db2.gz PSHDLMSNUNLQPX-HXUWFJFHSA-N 0 0 452.555 4.568 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)OC(C)(C)C ZINC001449790043 1067028591 /nfs/dbraw/zinc/02/85/91/1067028591.db2.gz YFPBZPALNNFDLV-PBHICJAKSA-N 0 0 455.020 4.796 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)[nH]c(C)c1C(C)=O ZINC001449791532 1067028729 /nfs/dbraw/zinc/02/87/29/1067028729.db2.gz AVJQIQOIKLECPL-LLVKDONJSA-N 0 0 450.461 4.652 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N(Cc3cnn(Cc4ccccc4)c3)C(C)C)o2)cc1 ZINC001458318129 1067029124 /nfs/dbraw/zinc/02/91/24/1067029124.db2.gz MURPKGISFBXUFR-UHFFFAOYSA-N 0 0 458.562 4.965 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC001449797212 1067029378 /nfs/dbraw/zinc/02/93/78/1067029378.db2.gz ZJDKHUFLRRJCQL-OGHNNQOOSA-N 0 0 455.368 4.775 20 0 JJADRN CC[C@@H](Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001546016926 1067029581 /nfs/dbraw/zinc/02/95/81/1067029581.db2.gz LNYKXHOPSYKARX-HKUYNNGSSA-N 0 0 459.591 4.607 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cc(C)no1)c1ccccc1 ZINC001545753931 1067029598 /nfs/dbraw/zinc/02/95/98/1067029598.db2.gz BBKYYHWTNCMBDC-UGKGYDQZSA-N 0 0 480.613 4.610 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001458320828 1067029693 /nfs/dbraw/zinc/02/96/93/1067029693.db2.gz DJYGODBIRZMKLC-AOMKIAJQSA-N 0 0 455.352 4.929 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCCC(C)(C)COC)c1ccccc1 ZINC001545753911 1067029743 /nfs/dbraw/zinc/02/97/43/1067029743.db2.gz AUPVFDOHVWKBPG-QHCPKHFHSA-N 0 0 498.716 4.903 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)c1 ZINC001449801723 1067029790 /nfs/dbraw/zinc/02/97/90/1067029790.db2.gz QSAZWHMKFMWJJD-OLZOCXBDSA-N 0 0 455.864 4.976 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)[C@@H]2CCc3cc(Br)ccc32)c1 ZINC001458322268 1067030107 /nfs/dbraw/zinc/03/01/07/1067030107.db2.gz PJEMGLILUNCWIN-MRXNPFEDSA-N 0 0 454.114 4.634 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001458321547 1067030211 /nfs/dbraw/zinc/03/02/11/1067030211.db2.gz WAUWPOUEGGZMLN-HFXUHXBXSA-N 0 0 453.583 4.845 20 0 JJADRN CCc1cc(=O)c2cc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)ccc2[nH]1 ZINC001458321548 1067030223 /nfs/dbraw/zinc/03/02/23/1067030223.db2.gz WAUWPOUEGGZMLN-ICPLQIHGSA-N 0 0 453.583 4.845 20 0 JJADRN CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC ZINC001545754251 1067030418 /nfs/dbraw/zinc/03/04/18/1067030418.db2.gz JANPFUZZMACMSR-MZYLBHOOSA-N 0 0 484.689 4.511 20 0 JJADRN COCCOc1c(Cl)cc(NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)cc1Cl ZINC001458323437 1067030679 /nfs/dbraw/zinc/03/06/79/1067030679.db2.gz XHJXQVUHSXSHKZ-UHFFFAOYSA-N 0 0 454.276 4.916 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001458322902 1067030691 /nfs/dbraw/zinc/03/06/91/1067030691.db2.gz KOIMHHHSKQJTCZ-LZFQIVBZSA-N 0 0 452.389 4.710 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545754416 1067030836 /nfs/dbraw/zinc/03/08/36/1067030836.db2.gz MJXYRBRHZGNLKB-QHCPKHFHSA-N 0 0 460.626 4.614 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N2CCc3cc(Br)cc(F)c3C2)c1Br ZINC001458325224 1067030875 /nfs/dbraw/zinc/03/08/75/1067030875.db2.gz CIQQCKIECCKHJU-UHFFFAOYSA-N 0 0 459.157 4.501 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccsc2)CCO1 ZINC001546099432 1067030934 /nfs/dbraw/zinc/03/09/34/1067030934.db2.gz FCJBQJCDWDBBKZ-NRFANRHFSA-N 0 0 477.428 4.735 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)cc2nc1C(F)(F)F ZINC001449837059 1067031263 /nfs/dbraw/zinc/03/12/63/1067031263.db2.gz GOCVHAMNPLNLAI-LSVZVQIISA-N 0 0 451.489 4.723 20 0 JJADRN CO[C@@H](C(=O)N1CCc2cc(Br)cc(C)c2C1)c1ccccc1Br ZINC001458326600 1067031311 /nfs/dbraw/zinc/03/13/11/1067031311.db2.gz MWWWHPGLMQTOQX-GOSISDBHSA-N 0 0 453.174 4.792 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCc2cc(Br)cc(F)c2C1 ZINC001458325560 1067031326 /nfs/dbraw/zinc/03/13/26/1067031326.db2.gz GIGWOCZFFYDSJX-UHFFFAOYSA-N 0 0 452.230 4.774 20 0 JJADRN COc1ccc(SCCC(=O)N2CCc3cc(Br)cc(F)c3C2)cc1OC ZINC001458325275 1067031494 /nfs/dbraw/zinc/03/14/94/1067031494.db2.gz DKCSYTXSBITYMW-UHFFFAOYSA-N 0 0 454.361 4.673 20 0 JJADRN C[C@@H](CCO)n1c2ccc(NC(=O)CCCCC(=O)OC(C)(C)C)cc2nc1C(F)(F)F ZINC001449842606 1067031546 /nfs/dbraw/zinc/03/15/46/1067031546.db2.gz SEPHFVXHLFGNTC-AWEZNQCLSA-N 0 0 457.493 4.839 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545754741 1067031595 /nfs/dbraw/zinc/03/15/95/1067031595.db2.gz UFNUJBCQUKVSJL-HSZRJFAPSA-N 0 0 495.693 4.907 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCc1nccs1)c1ccccc1 ZINC001545754986 1067032079 /nfs/dbraw/zinc/03/20/79/1067032079.db2.gz ZUSXUHUGUFQAIL-OAQYLSRUSA-N 0 0 480.682 4.604 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@H](C)CSCc2ccccc2)CC1 ZINC001449858015 1067032785 /nfs/dbraw/zinc/03/27/85/1067032785.db2.gz ZYVWHOFMQRRQIH-HXUWFJFHSA-N 0 0 453.604 4.611 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017711 1067033115 /nfs/dbraw/zinc/03/31/15/1067033115.db2.gz ZXKJTOFAYSNKIP-TZIWHRDSSA-N 0 0 471.646 4.927 20 0 JJADRN Cc1cc(C2CCN(c3ncc(I)cn3)CC2)ccc1Br ZINC001458333629 1067033434 /nfs/dbraw/zinc/03/34/34/1067033434.db2.gz YQAHRVRPCSPORC-UHFFFAOYSA-N 0 0 458.141 4.536 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCCC1 ZINC001449877603 1067033746 /nfs/dbraw/zinc/03/37/46/1067033746.db2.gz KHFONRURROYFMQ-KRWDZBQOSA-N 0 0 451.405 4.850 20 0 JJADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)/C=C\c2ccccc2OCc2ccccc2)c1 ZINC001458336316 1067033900 /nfs/dbraw/zinc/03/39/00/1067033900.db2.gz VNOMNYMWUOKWAJ-OWBHPGMISA-N 0 0 452.514 4.511 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3ccccn3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756521 1067034048 /nfs/dbraw/zinc/03/40/48/1067034048.db2.gz JKLJRHQFXUGUKR-RTWAWAEBSA-N 0 0 488.558 4.509 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3ccccn3)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756520 1067034209 /nfs/dbraw/zinc/03/42/09/1067034209.db2.gz JKLJRHQFXUGUKR-NHCUHLMSSA-N 0 0 488.558 4.509 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@](C)(O)[C@@H](C)CC)c1ccccc1 ZINC001545756609 1067034238 /nfs/dbraw/zinc/03/42/38/1067034238.db2.gz KUSIWMHAQOPRAH-HSJYVMOXSA-N 0 0 481.607 4.690 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001458338396 1067034549 /nfs/dbraw/zinc/03/45/49/1067034549.db2.gz ARKMWYGHLTZADQ-WCQYABFASA-N 0 0 459.718 4.543 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001458339383 1067034918 /nfs/dbraw/zinc/03/49/18/1067034918.db2.gz FFXKSTWKJNEIPZ-CQSZACIVSA-N 0 0 453.732 4.980 20 0 JJADRN CCCN(c1cc(C(N)=O)ncn1)[C@H](CCc1cccs1)c1ccc(Br)cc1 ZINC001458340586 1067035461 /nfs/dbraw/zinc/03/54/61/1067035461.db2.gz JBXIJRBALVDLLF-LJQANCHMSA-N 0 0 459.413 4.990 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCCOC(F)F)c1ccccc1 ZINC001545757278 1067035459 /nfs/dbraw/zinc/03/54/59/1067035459.db2.gz WRCMZSBLHBIJIY-FUHWJXTLSA-N 0 0 475.506 4.522 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)c1 ZINC001449905893 1067036082 /nfs/dbraw/zinc/03/60/82/1067036082.db2.gz YCTWSGTWMNTECC-UHFFFAOYSA-N 0 0 455.407 4.533 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545758147 1067036463 /nfs/dbraw/zinc/03/64/63/1067036463.db2.gz ARSOOSCENLEIMX-MISYRCLQSA-N 0 0 453.528 4.643 20 0 JJADRN O=C(Cc1csc(-c2cccs2)n1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458343770 1067036572 /nfs/dbraw/zinc/03/65/72/1067036572.db2.gz GKIBIDLDRFCEBY-OAHLLOKOSA-N 0 0 452.388 4.643 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)cs2)cc1 ZINC001458343908 1067036670 /nfs/dbraw/zinc/03/66/70/1067036670.db2.gz UPDBOZRWEQLVHG-MRXNPFEDSA-N 0 0 459.974 4.761 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[S@](=O)C(F)(F)F ZINC001458344840 1067036758 /nfs/dbraw/zinc/03/67/58/1067036758.db2.gz JJEAVPHEIXPVBP-CTUXIKGSSA-N 0 0 451.297 4.630 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001458345093 1067036911 /nfs/dbraw/zinc/03/69/11/1067036911.db2.gz XZSMNUCOQKWYND-LLVKDONJSA-N 0 0 450.791 4.691 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2cc3c(s2)CCCCCC3)c1 ZINC001449913623 1067037100 /nfs/dbraw/zinc/03/71/00/1067037100.db2.gz KEOARGJOCNLJFF-SFHVURJKSA-N 0 0 452.414 4.984 20 0 JJADRN COc1ccc(CN(C(=O)CCCn2c(C)cc(=O)cc2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458345781 1067037483 /nfs/dbraw/zinc/03/74/83/1067037483.db2.gz LBRZBMPTVDUSBT-YADARESESA-N 0 0 454.611 4.870 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC001449912793 1067037387 /nfs/dbraw/zinc/03/73/87/1067037387.db2.gz JFHXSMDIGVZTGQ-KPZWWZAWSA-N 0 0 458.805 4.784 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1 ZINC001546018274 1067037481 /nfs/dbraw/zinc/03/74/81/1067037481.db2.gz XOMZYTDFYZKYMQ-UHFFFAOYSA-N 0 0 456.612 4.790 20 0 JJADRN CCOc1nc2cc(NC(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)ccc2o1 ZINC001449952847 1067038897 /nfs/dbraw/zinc/03/88/97/1067038897.db2.gz IGMSQPYPEWRXTD-YGFACIEFSA-N 0 0 451.523 4.790 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCCc1nccs1)c1ccccc1 ZINC001545758637 1067039221 /nfs/dbraw/zinc/03/92/21/1067039221.db2.gz KGXXRJPGUSDVBP-UNMCSNQZSA-N 0 0 480.682 4.602 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449964635 1067039267 /nfs/dbraw/zinc/03/92/67/1067039267.db2.gz GGEMGORPGWTCSI-ZWNOBZJWSA-N 0 0 451.741 4.753 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC ZINC001449970669 1067039381 /nfs/dbraw/zinc/03/93/81/1067039381.db2.gz OLQTYIAPLRXIDB-LLVKDONJSA-N 0 0 450.322 4.727 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCCc1nccs1)c1ccccc1 ZINC001545758634 1067039313 /nfs/dbraw/zinc/03/93/13/1067039313.db2.gz KGXXRJPGUSDVBP-IFMALSPDSA-N 0 0 480.682 4.602 20 0 JJADRN CN(C)C(=O)N1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C(C)(C)C1 ZINC001458349966 1067039438 /nfs/dbraw/zinc/03/94/38/1067039438.db2.gz JIPCOIWVHUNAFE-UHFFFAOYSA-N 0 0 451.611 4.781 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC001449978172 1067039550 /nfs/dbraw/zinc/03/95/50/1067039550.db2.gz VJBJMDGHHXENBF-NSHDSACASA-N 0 0 455.367 4.512 20 0 JJADRN COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458350987 1067039570 /nfs/dbraw/zinc/03/95/70/1067039570.db2.gz ZNYROVVRVSQTGU-FXAWDEMLSA-N 0 0 457.567 4.951 20 0 JJADRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449970916 1067039923 /nfs/dbraw/zinc/03/99/23/1067039923.db2.gz PXCNMQNBLPNJKM-LLVKDONJSA-N 0 0 452.363 4.687 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N[C@H](C)[C@@H](OC)c3ccc(OC)cc3)CC2(Cl)Cl)cc1 ZINC001458352209 1067039943 /nfs/dbraw/zinc/03/99/43/1067039943.db2.gz WKNMYSSTONTBNU-QPJICYPMSA-N 0 0 452.378 4.802 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001546018644 1067040013 /nfs/dbraw/zinc/04/00/13/1067040013.db2.gz GJJYBJBOGUACQK-XRXFAXGQSA-N 0 0 477.694 4.982 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC001449988031 1067040093 /nfs/dbraw/zinc/04/00/93/1067040093.db2.gz XTJIRSRTVMTPSF-QWHCGFSZSA-N 0 0 455.971 4.706 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC001449989346 1067040123 /nfs/dbraw/zinc/04/01/23/1067040123.db2.gz YZGNEARXFHZVJL-AWEZNQCLSA-N 0 0 454.987 4.682 20 0 JJADRN C[C@@H](NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449980402 1067040495 /nfs/dbraw/zinc/04/04/95/1067040495.db2.gz YBUNRFKANROMGP-OQPBUACISA-N 0 0 451.301 4.595 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545758934 1067040853 /nfs/dbraw/zinc/04/08/53/1067040853.db2.gz PIPZKHLUBAZTDE-SFHLNBCPSA-N 0 0 497.581 4.658 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN(c3cccc(F)n3)CC2)cc1 ZINC001450000938 1067040979 /nfs/dbraw/zinc/04/09/79/1067040979.db2.gz LQVRXQKMIAHJOF-UHFFFAOYSA-N 0 0 452.555 4.620 20 0 JJADRN CC[C@H](c1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@@H](OC)C(C)(C)C)c1ccccc1 ZINC001545759153 1067041027 /nfs/dbraw/zinc/04/10/27/1067041027.db2.gz SLGKRNKIORVHIG-XZOQPEGZSA-N 0 0 482.698 4.660 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C[C@H]3C)c2)c1 ZINC001450011052 1067041169 /nfs/dbraw/zinc/04/11/69/1067041169.db2.gz UJFZWKRYOPVKJQ-AEFFLSMTSA-N 0 0 454.514 4.907 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC001450009422 1067041447 /nfs/dbraw/zinc/04/14/47/1067041447.db2.gz SQJHDLJHVGCNPU-LSDHHAIUSA-N 0 0 458.477 4.738 20 0 JJADRN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001458359062 1067041572 /nfs/dbraw/zinc/04/15/72/1067041572.db2.gz MYPNYUVDFAMWKJ-YXJHDRRASA-N 0 0 457.621 4.617 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545759281 1067041595 /nfs/dbraw/zinc/04/15/95/1067041595.db2.gz VUXFJEAKDILZDW-NZQKXSOJSA-N 0 0 486.586 4.839 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnccc1C ZINC001450017780 1067041761 /nfs/dbraw/zinc/04/17/61/1067041761.db2.gz MBYBBFGPFIOLFU-QYBDOPJKSA-N 0 0 457.574 4.960 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 ZINC001458358111 1067041702 /nfs/dbraw/zinc/04/17/02/1067041702.db2.gz XHBLEDOEHAEHFE-FXAWDEMLSA-N 0 0 453.583 4.680 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cn1 ZINC001458359833 1067041739 /nfs/dbraw/zinc/04/17/39/1067041739.db2.gz OSUZJPWODDCXAP-UHFFFAOYSA-N 0 0 457.383 4.794 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC(C)(F)F)c1ccccc1 ZINC001545759389 1067042282 /nfs/dbraw/zinc/04/22/82/1067042282.db2.gz XKFALRHGIHGHCH-WMZOPIPTSA-N 0 0 459.507 4.938 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H](CO)C(C)C ZINC001450023207 1067042343 /nfs/dbraw/zinc/04/23/43/1067042343.db2.gz BPUGUARFQHOTCK-QPAOKJHLSA-N 0 0 455.014 4.573 20 0 JJADRN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458364237 1067042610 /nfs/dbraw/zinc/04/26/10/1067042610.db2.gz IZWNGFRTPZLAMT-NCUBBLFSSA-N 0 0 456.823 4.703 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450027004 1067042845 /nfs/dbraw/zinc/04/28/45/1067042845.db2.gz WALGPCFSFKJXQE-IBGZPJMESA-N 0 0 452.429 4.502 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O ZINC001545759753 1067043156 /nfs/dbraw/zinc/04/31/56/1067043156.db2.gz GIVNUWZGSIVNDP-UHFFFAOYSA-N 0 0 459.472 4.965 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)c1cccc(Br)c1 ZINC001545760125 1067043406 /nfs/dbraw/zinc/04/34/06/1067043406.db2.gz SODOFHCADWWVFP-UHFFFAOYSA-N 0 0 458.278 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545760481 1067043548 /nfs/dbraw/zinc/04/35/48/1067043548.db2.gz DNCBBCGKWFMFEX-ZILOHOTNSA-N 0 0 492.542 4.705 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450040046 1067043671 /nfs/dbraw/zinc/04/36/71/1067043671.db2.gz YYTLMRJFCOHGFD-AWEZNQCLSA-N 0 0 451.670 4.557 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cs2)cc1 ZINC001450034939 1067043687 /nfs/dbraw/zinc/04/36/87/1067043687.db2.gz UQGKKZFERKLUTL-KRWDZBQOSA-N 0 0 453.555 4.580 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001458368838 1067043809 /nfs/dbraw/zinc/04/38/09/1067043809.db2.gz WBYISTMEUVEEFF-GFCCVEGCSA-N 0 0 456.351 4.853 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001546019073 1067043794 /nfs/dbraw/zinc/04/37/94/1067043794.db2.gz NSQFFRZMDHGUNY-XPWALMASSA-N 0 0 499.656 4.619 20 0 JJADRN CS(=O)(=O)c1cc(CNc2ccnc(CSc3ccccc3)n2)cc(C(F)(F)F)c1 ZINC001458370123 1067044114 /nfs/dbraw/zinc/04/41/14/1067044114.db2.gz LZIWKSVRUCDBJQ-UHFFFAOYSA-N 0 0 453.511 4.803 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545760780 1067044173 /nfs/dbraw/zinc/04/41/73/1067044173.db2.gz IKHQVIKHLPPBNT-UNMCSNQZSA-N 0 0 467.589 4.684 20 0 JJADRN O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)c1cccnc1SCc1cccc(Br)c1 ZINC001450052721 1067044508 /nfs/dbraw/zinc/04/45/08/1067044508.db2.gz WHQFUBSRAKPALE-UHFFFAOYSA-N 0 0 455.337 4.971 20 0 JJADRN C[C@H]1C[C@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)CCO1 ZINC001458371567 1067044357 /nfs/dbraw/zinc/04/43/57/1067044357.db2.gz SSUICDNUNRPPFG-NWDGAFQWSA-N 0 0 451.823 4.724 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001450052489 1067044644 /nfs/dbraw/zinc/04/46/44/1067044644.db2.gz DCZCIIUANYJSPW-DLBZAZTESA-N 0 0 459.612 4.741 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H](C)c1nccs1)c1ccccc1 ZINC001545760983 1067044721 /nfs/dbraw/zinc/04/47/21/1067044721.db2.gz LBKWAHGQPIVQIJ-KBAYOESNSA-N 0 0 465.545 4.848 20 0 JJADRN CC[C@@H](C)[NH2+][C@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372606 1067044960 /nfs/dbraw/zinc/04/49/60/1067044960.db2.gz QDDCVCKWYTZCBG-RDTXWAMCSA-N 0 0 455.360 4.712 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Br)cc3)n2CCc2ccsc2)CCO1 ZINC001546099854 1067044984 /nfs/dbraw/zinc/04/49/84/1067044984.db2.gz NXGNKAJZPPQGGO-JOCHJYFZSA-N 0 0 491.455 4.929 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001546019153 1067045184 /nfs/dbraw/zinc/04/51/84/1067045184.db2.gz PCLYMWMMXCINGW-JFIYKMOQSA-N 0 0 473.609 4.591 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1)OC ZINC001546019160 1067045336 /nfs/dbraw/zinc/04/53/36/1067045336.db2.gz PFVJQILKRXOEFC-MYDTUXCISA-N 0 0 455.647 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1cn(-c3ccccc3)nc1C(C)(C)C)CC2 ZINC001450058338 1067045576 /nfs/dbraw/zinc/04/55/76/1067045576.db2.gz BSZFMDJOUXRCFJ-UHFFFAOYSA-N 0 0 452.599 4.643 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450060455 1067045671 /nfs/dbraw/zinc/04/56/71/1067045671.db2.gz JLPFVPSBFIKJSM-UHFFFAOYSA-N 0 0 459.587 4.815 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1NC(=O)NC(C)(C)C ZINC001450062692 1067045810 /nfs/dbraw/zinc/04/58/10/1067045810.db2.gz HXPHBPXWAZUBTA-UHFFFAOYSA-N 0 0 455.559 4.934 20 0 JJADRN CC(C)(C)Oc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC001458375675 1067045959 /nfs/dbraw/zinc/04/59/59/1067045959.db2.gz NNFFSKJZWGRJCU-OQHXPNFOSA-N 0 0 455.986 4.623 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2ccc(F)cn2)CC1 ZINC001458378033 1067046137 /nfs/dbraw/zinc/04/61/37/1067046137.db2.gz BQEXDAYAZJECAR-UHFFFAOYSA-N 0 0 451.354 4.542 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)C[C@H](NC(C)=O)c3ccc(Br)cc3)cc21 ZINC001545762349 1067046222 /nfs/dbraw/zinc/04/62/22/1067046222.db2.gz KKWJIWDJHIMJQK-NRFANRHFSA-N 0 0 458.400 4.818 20 0 JJADRN CCSc1nc(C)c([C@@H](CC)C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC001450064150 1067046598 /nfs/dbraw/zinc/04/65/98/1067046598.db2.gz WGNSPQPNSAMOPG-MRXNPFEDSA-N 0 0 453.674 4.917 20 0 JJADRN COc1ccc(C[C@H](CO)CNc2ncc(C(F)(F)F)cc2Cl)cc1Br ZINC001458380712 1067046628 /nfs/dbraw/zinc/04/66/28/1067046628.db2.gz UVJGVGBQOVWKHF-NSHDSACASA-N 0 0 453.686 4.788 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nc(C)cs2)CCO1 ZINC001546099945 1067046713 /nfs/dbraw/zinc/04/67/13/1067046713.db2.gz PVINNCBXCLLATP-VWLOTQADSA-N 0 0 469.655 4.973 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3cccc(C)c3)n2CCC2(COC)CCCC2)CCO1 ZINC001546099931 1067046724 /nfs/dbraw/zinc/04/67/24/1067046724.db2.gz PPYRSFAFUWZYAU-VWLOTQADSA-N 0 0 456.631 4.768 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@](C)(CC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545763368 1067046993 /nfs/dbraw/zinc/04/69/93/1067046993.db2.gz HNXBRZIADRYKBF-NIJXNBFTSA-N 0 0 454.640 4.795 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)C2)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545763253 1067047168 /nfs/dbraw/zinc/04/71/68/1067047168.db2.gz FPSSQVPNSQSGRZ-XLIONFOSSA-N 0 0 455.628 4.647 20 0 JJADRN C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450066880 1067047018 /nfs/dbraw/zinc/04/70/18/1067047018.db2.gz ZHAXFMFHOVLRFY-CMKODMSKSA-N 0 0 458.578 4.862 20 0 JJADRN Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc1)C2 ZINC001450067374 1067047035 /nfs/dbraw/zinc/04/70/35/1067047035.db2.gz KXCMHDCMUBFVPR-UHFFFAOYSA-N 0 0 452.551 4.912 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)c2ccccc12 ZINC001458385167 1067047467 /nfs/dbraw/zinc/04/74/67/1067047467.db2.gz SGGDFUUAZSGBFK-UHFFFAOYSA-N 0 0 457.317 4.868 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1)[C@H]1C[C@H]1C ZINC001450075173 1067047688 /nfs/dbraw/zinc/04/76/88/1067047688.db2.gz GGGVRTUECAEXNX-ASSNKEHSSA-N 0 0 458.440 4.989 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545763704 1067047710 /nfs/dbraw/zinc/04/77/10/1067047710.db2.gz MBHKSRKCYWSTLU-LVXARBLLSA-N 0 0 490.714 4.675 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCCOC(F)(F)F)c1ccccc1 ZINC001545763689 1067047842 /nfs/dbraw/zinc/04/78/42/1067047842.db2.gz LWFZSSDZQCWSMX-LEWJYISDSA-N 0 0 466.548 4.999 20 0 JJADRN CC[C@@H](c1nnc(N2CCOCC3(CCC3)C2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545763912 1067048231 /nfs/dbraw/zinc/04/82/31/1067048231.db2.gz OLMLUZRGFQHBSZ-UXHICEINSA-N 0 0 466.548 4.794 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C(F)(F)F ZINC001458388621 1067048370 /nfs/dbraw/zinc/04/83/70/1067048370.db2.gz SHNFIDBLVXDJGP-NSHDSACASA-N 0 0 454.312 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2C1 ZINC001450080813 1067048371 /nfs/dbraw/zinc/04/83/71/1067048371.db2.gz 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ZINC001545771529 1067058998 /nfs/dbraw/zinc/05/89/98/1067058998.db2.gz RLORGZDBRIRGKM-ICSRJNTNSA-N 0 0 487.649 4.912 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1)SC ZINC001545771695 1067059675 /nfs/dbraw/zinc/05/96/75/1067059675.db2.gz XECPCJVXVJHXAX-ICSRJNTNSA-N 0 0 494.105 4.514 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001458436797 1067059716 /nfs/dbraw/zinc/05/97/16/1067059716.db2.gz OLLBNWGGLBLWEI-SGTLLEGYSA-N 0 0 457.810 4.909 20 0 JJADRN CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H]1CC)Oc1cccc(F)c1 ZINC001546020414 1067059896 /nfs/dbraw/zinc/05/98/96/1067059896.db2.gz DQMYDIPEELVXPT-FWRLEMQZSA-N 0 0 460.594 4.624 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(Br)cc2F)C[C@H]1c1cccc(F)c1 ZINC001458437478 1067059851 /nfs/dbraw/zinc/05/98/51/1067059851.db2.gz ZFXMYSKDCKPSLT-DOTOQJQBSA-N 0 0 454.315 4.619 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C ZINC001546100653 1067059882 /nfs/dbraw/zinc/05/98/82/1067059882.db2.gz GBHMBOXVYSRIOM-INIZCTEOSA-N 0 0 453.568 4.927 20 0 JJADRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC001450203014 1067060127 /nfs/dbraw/zinc/06/01/27/1067060127.db2.gz YTLICOVCIZOCBL-DEOSSOPVSA-N 0 0 455.602 4.905 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1nncn1C)OC ZINC001545771768 1067060400 /nfs/dbraw/zinc/06/04/00/1067060400.db2.gz ZGPLRPOSTKGZGT-LEWJYISDSA-N 0 0 481.645 4.710 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCCC2=O)CC1)SC ZINC001545772493 1067060570 /nfs/dbraw/zinc/06/05/70/1067060570.db2.gz BUYMTFJZWDENOZ-UHFFFAOYSA-N 0 0 485.698 4.857 20 0 JJADRN CCOC(=O)c1cnc(C)c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC001458440312 1067060934 /nfs/dbraw/zinc/06/09/34/1067060934.db2.gz PSPLRWIKVKFVCJ-UHFFFAOYSA-N 0 0 457.486 4.746 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cccs2)CC1)OC ZINC001545772556 1067061116 /nfs/dbraw/zinc/06/11/16/1067061116.db2.gz CZWYFGNONTXBPF-UHFFFAOYSA-N 0 0 469.655 4.543 20 0 JJADRN O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001450225382 1067061233 /nfs/dbraw/zinc/06/12/33/1067061233.db2.gz FUUFTKIXLRLJAJ-UWWQBHOKSA-N 0 0 453.739 4.810 20 0 JJADRN CCSCc1ccccc1C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC001458442344 1067061267 /nfs/dbraw/zinc/06/12/67/1067061267.db2.gz OMOROWKHHFIZJX-UHFFFAOYSA-N 0 0 455.317 4.583 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1)OC ZINC001545772672 1067061467 /nfs/dbraw/zinc/06/14/67/1067061467.db2.gz HZLPJVZTLQFJIE-QFIPXVFZSA-N 0 0 487.048 4.522 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC001450228919 1067061458 /nfs/dbraw/zinc/06/14/58/1067061458.db2.gz OOURUPVXAGTZMJ-INIZCTEOSA-N 0 0 459.369 4.646 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1)SC ZINC001545772780 1067061881 /nfs/dbraw/zinc/06/18/81/1067061881.db2.gz LWKWOSJMMILGFQ-LAUBAEHRSA-N 0 0 462.660 4.745 20 0 JJADRN CN1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458445844 1067062637 /nfs/dbraw/zinc/06/26/37/1067062637.db2.gz FEFADERTNZNQNX-ZBEGNZNMSA-N 0 0 450.263 4.969 20 0 JJADRN C[C@@H]1[C@H](Nc2ncnc3c2c(Br)nn3C(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001458445534 1067062758 /nfs/dbraw/zinc/06/27/58/1067062758.db2.gz DJIGOCUSZZTVLT-CHWSQXEVSA-N 0 0 467.412 4.544 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)OC ZINC001545772938 1067062737 /nfs/dbraw/zinc/06/27/37/1067062737.db2.gz RIFMYXIRNMQSLM-NRFANRHFSA-N 0 0 482.467 4.882 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)n(C)n2)c1 ZINC001458446237 1067063125 /nfs/dbraw/zinc/06/31/25/1067063125.db2.gz POFZTZVSIVNILV-UHFFFAOYSA-N 0 0 450.930 4.706 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(C)C)C1)Oc1ccccc1F ZINC001546021076 1067063082 /nfs/dbraw/zinc/06/30/82/1067063082.db2.gz YBLLYOYKWJHACX-CIEVZJJWSA-N 0 0 474.621 4.871 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OC)C1)OC ZINC001545773057 1067063166 /nfs/dbraw/zinc/06/31/66/1067063166.db2.gz UXFQMPXAIWMKRK-OAHLLOKOSA-N 0 0 471.827 4.791 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(=O)OC)C1)SC ZINC001545773118 1067063339 /nfs/dbraw/zinc/06/33/39/1067063339.db2.gz XMHKBGIUPRZCTC-ZDUSSCGKSA-N 0 0 487.489 4.690 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1)OC ZINC001545773094 1067063381 /nfs/dbraw/zinc/06/33/81/1067063381.db2.gz WKXWXURLEAPIHA-HSZRJFAPSA-N 0 0 460.644 4.501 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1)SC ZINC001545773096 1067063460 /nfs/dbraw/zinc/06/34/60/1067063460.db2.gz WLBAUGUDIXPOLZ-UHFFFAOYSA-N 0 0 499.706 4.899 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1)OC ZINC001545773073 1067063594 /nfs/dbraw/zinc/06/35/94/1067063594.db2.gz VTFIDCGFQZNRCA-LJQANCHMSA-N 0 0 489.020 4.888 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC001458448553 1067063734 /nfs/dbraw/zinc/06/37/34/1067063734.db2.gz PQJNKUMCEFMVIP-SFHVURJKSA-N 0 0 453.421 4.637 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)NCC23CCC(CC2)C3)cc1 ZINC001458448048 1067063778 /nfs/dbraw/zinc/06/37/78/1067063778.db2.gz LXQSPDNYENKARH-UHFFFAOYSA-N 0 0 452.576 4.514 20 0 JJADRN O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001545773950 1067063846 /nfs/dbraw/zinc/06/38/46/1067063846.db2.gz ZAUFSVBKYSHJDT-VJOZSWGJSA-N 0 0 452.423 4.505 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)OC ZINC001545774016 1067064306 /nfs/dbraw/zinc/06/43/06/1067064306.db2.gz BFGIMWAREFNRIS-DYESRHJHSA-N 0 0 496.483 4.614 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cc(C)on1)OC ZINC001545773997 1067064330 /nfs/dbraw/zinc/06/43/30/1067064330.db2.gz AMUVUOHFGNAARS-UHFFFAOYSA-N 0 0 480.382 4.985 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC ZINC001450251072 1067064493 /nfs/dbraw/zinc/06/44/93/1067064493.db2.gz HCGFPRRTEAMYOS-SWELCQIQSA-N 0 0 458.599 4.603 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)[nH]c(C)c1C(C)=O ZINC001450256112 1067064689 /nfs/dbraw/zinc/06/46/89/1067064689.db2.gz LSRSUALLWQPBDZ-PMACEKPBSA-N 0 0 459.631 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3cccnc3SC(F)F)C2)C1 ZINC001450254406 1067064917 /nfs/dbraw/zinc/06/49/17/1067064917.db2.gz KMQIYYSYUWEGGR-JKSUJKDBSA-N 0 0 455.571 4.896 20 0 JJADRN CCNc1ncc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001450259449 1067065229 /nfs/dbraw/zinc/06/52/29/1067065229.db2.gz QIMNEFRQUQOLAJ-SJORKVTESA-N 0 0 451.011 4.666 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCNC2=O)CC1)OC ZINC001545774238 1067065487 /nfs/dbraw/zinc/06/54/87/1067065487.db2.gz IBSHCBIISRXRJO-UHFFFAOYSA-N 0 0 496.700 4.832 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1)OC ZINC001545774213 1067065575 /nfs/dbraw/zinc/06/55/75/1067065575.db2.gz HLHPJEYERREJGV-OXJNMPFZSA-N 0 0 451.011 4.674 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)OC ZINC001545774248 1067065628 /nfs/dbraw/zinc/06/56/28/1067065628.db2.gz IOHGMOGMPLQPIU-UHFFFAOYSA-N 0 0 497.684 4.824 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450262968 1067066276 /nfs/dbraw/zinc/06/62/76/1067066276.db2.gz YPXGBOWXVAMEGD-RTBURBONSA-N 0 0 454.571 4.544 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)OC ZINC001545774427 1067066949 /nfs/dbraw/zinc/06/69/49/1067066949.db2.gz PBRRSVHHMZHZLS-UHFFFAOYSA-N 0 0 451.615 4.995 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3CC[C@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001450269650 1067067007 /nfs/dbraw/zinc/06/70/07/1067067007.db2.gz DUPZOXGJZORDFO-PXNSSMCTSA-N 0 0 457.596 4.680 20 0 JJADRN CN1CCO[C@H]([C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454982 1067067258 /nfs/dbraw/zinc/06/72/58/1067067258.db2.gz PAFWYWKWITZGKP-FPOVZHCZSA-N 0 0 457.785 4.604 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545774538 1067067312 /nfs/dbraw/zinc/06/73/12/1067067312.db2.gz SCUATJALAYEEFC-VQTJNVASSA-N 0 0 487.645 4.793 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545774536 1067067397 /nfs/dbraw/zinc/06/73/97/1067067397.db2.gz SCUATJALAYEEFC-PMACEKPBSA-N 0 0 487.645 4.793 20 0 JJADRN C[C@H](NC(=O)CSc1nccn1Cc1ccccc1)c1ccc(C(F)(F)F)nc1Cl ZINC001450272867 1067067638 /nfs/dbraw/zinc/06/76/38/1067067638.db2.gz NTSNTGSDWCCEHO-ZDUSSCGKSA-N 0 0 454.905 4.968 20 0 JJADRN COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1 ZINC001458457750 1067067775 /nfs/dbraw/zinc/06/77/75/1067067775.db2.gz QEGVMHUYTIJSBP-FDDCHVKYSA-N 0 0 459.428 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc(Br)cc3)CC[C@@H]21 ZINC001450274844 1067068011 /nfs/dbraw/zinc/06/80/11/1067068011.db2.gz JEJAEGSTVKAQNT-QAPCUYQASA-N 0 0 451.405 4.585 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2)C1)OC ZINC001545774658 1067067989 /nfs/dbraw/zinc/06/79/89/1067067989.db2.gz XGYOBSNIXNWKQB-FQEVSTJZSA-N 0 0 455.990 4.777 20 0 JJADRN O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC001545775209 1067068212 /nfs/dbraw/zinc/06/82/12/1067068212.db2.gz OVHLIVDFSCEQQA-UHFFFAOYSA-N 0 0 458.465 4.832 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1O)Cc1ccccc1 ZINC001450277553 1067068245 /nfs/dbraw/zinc/06/82/45/1067068245.db2.gz LZUOFCUDHUHWBY-KRWDZBQOSA-N 0 0 452.473 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC[C@@H]21 ZINC001450275883 1067068286 /nfs/dbraw/zinc/06/82/86/1067068286.db2.gz KWHXDGYVJGRXJV-DDBAPUKQSA-N 0 0 454.489 4.547 20 0 JJADRN CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001450277860 1067068485 /nfs/dbraw/zinc/06/84/85/1067068485.db2.gz NEIZCOKRSXGADW-IFMALSPDSA-N 0 0 458.599 4.686 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)OC ZINC001545775596 1067068774 /nfs/dbraw/zinc/06/87/74/1067068774.db2.gz DQEOAVAWRGQNQA-UHFFFAOYSA-N 0 0 483.657 4.530 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCC2)C1)SC ZINC001545775618 1067069037 /nfs/dbraw/zinc/06/90/37/1067069037.db2.gz FDVSJANTCBWGPF-UHFFFAOYSA-N 0 0 460.644 4.643 20 0 JJADRN COc1cc(Br)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC001458466254 1067069143 /nfs/dbraw/zinc/06/91/43/1067069143.db2.gz GMJLJHJBGOYSDJ-UHFFFAOYSA-N 0 0 454.733 4.892 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001450289102 1067069682 /nfs/dbraw/zinc/06/96/82/1067069682.db2.gz CFVPCBLAPAVSRY-NRFANRHFSA-N 0 0 452.039 4.704 20 0 JJADRN COc1cc(Br)cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 ZINC001458467606 1067069574 /nfs/dbraw/zinc/06/95/74/1067069574.db2.gz MERWLOMOJJSVGK-UHFFFAOYSA-N 0 0 455.287 4.826 20 0 JJADRN CC(C)(C)c1nc(CCNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cs1 ZINC001458467970 1067069622 /nfs/dbraw/zinc/06/96/22/1067069622.db2.gz RYRAIABYZFEOTQ-SFHVURJKSA-N 0 0 450.446 4.699 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1)OC ZINC001545775896 1067070033 /nfs/dbraw/zinc/07/00/33/1067070033.db2.gz ONOQKFGVDUTASJ-HXUWFJFHSA-N 0 0 451.615 4.951 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001450297989 1067070249 /nfs/dbraw/zinc/07/02/49/1067070249.db2.gz HCGOSCFZWJBJFK-LBPRGKRZSA-N 0 0 450.288 4.961 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)SC ZINC001545776055 1067070485 /nfs/dbraw/zinc/07/04/85/1067070485.db2.gz UNZFCLICWLAIDE-ROUUACIJSA-N 0 0 489.711 4.673 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccc(OC)cc1 ZINC001458470025 1067070676 /nfs/dbraw/zinc/07/06/76/1067070676.db2.gz LYIPGRCOHFQBGX-UTKZUKDTSA-N 0 0 456.493 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1 ZINC001458470441 1067070698 /nfs/dbraw/zinc/07/06/98/1067070698.db2.gz DKUJOGYLORXDDP-IBGZPJMESA-N 0 0 453.558 4.518 20 0 JJADRN CCOC(=O)c1nc(N2CCc3[nH]c4ccc(Br)cc4c3C2)cc(C(C)(C)C)n1 ZINC001458474025 1067070891 /nfs/dbraw/zinc/07/08/91/1067070891.db2.gz OPBCMVGWFZJHGH-UHFFFAOYSA-N 0 0 457.372 4.757 20 0 JJADRN CCCCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCCCC1 ZINC001450313675 1067071064 /nfs/dbraw/zinc/07/10/64/1067071064.db2.gz SPVWLRJFOUSMFI-UHFFFAOYSA-N 0 0 454.942 4.599 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)c1cccnc1C(F)(F)F ZINC001458472565 1067071072 /nfs/dbraw/zinc/07/10/72/1067071072.db2.gz ZXLNQBGXVOKHRD-UHFFFAOYSA-N 0 0 457.168 4.691 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1)SC ZINC001545777449 1067071199 /nfs/dbraw/zinc/07/11/99/1067071199.db2.gz ALKGNSXVAMUDIE-OAQYLSRUSA-N 0 0 494.709 4.852 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1)OC ZINC001545777477 1067071286 /nfs/dbraw/zinc/07/12/86/1067071286.db2.gz BOHFPJDDBOSFDH-UHFFFAOYSA-N 0 0 471.552 4.871 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1)OC ZINC001545777505 1067071304 /nfs/dbraw/zinc/07/13/04/1067071304.db2.gz CMNXFDWJNATWAQ-GOSISDBHSA-N 0 0 462.019 4.838 20 0 JJADRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001458475152 1067071547 /nfs/dbraw/zinc/07/15/47/1067071547.db2.gz FVSONWKGGJBFKN-CYBMUJFWSA-N 0 0 451.518 4.711 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)OC ZINC001545777556 1067071539 /nfs/dbraw/zinc/07/15/39/1067071539.db2.gz FSLRMRAXGSWLFW-HSZRJFAPSA-N 0 0 467.589 4.634 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 ZINC001458477300 1067071980 /nfs/dbraw/zinc/07/19/80/1067071980.db2.gz PFMQYUKBANNMHT-CYBMUJFWSA-N 0 0 458.506 4.643 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ncnc3ccc(F)cc32)cc1 ZINC001458477477 1067072050 /nfs/dbraw/zinc/07/20/50/1067072050.db2.gz LKMVLMITCNNMTE-UGKGYDQZSA-N 0 0 452.530 4.983 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545777691 1067072068 /nfs/dbraw/zinc/07/20/68/1067072068.db2.gz JXXWHAFABJMTGP-OAQYLSRUSA-N 0 0 498.672 4.677 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)O[C@H](C)C2 ZINC001450344357 1067072047 /nfs/dbraw/zinc/07/20/47/1067072047.db2.gz IGASATFAKONSOI-BDOZRKEQSA-N 0 0 450.362 4.669 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC(C4CCCCC4)C3)c2)cc1 ZINC001450346431 1067072307 /nfs/dbraw/zinc/07/23/07/1067072307.db2.gz KCULWCKKZPSNKG-UHFFFAOYSA-N 0 0 456.608 4.847 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458480535 1067072671 /nfs/dbraw/zinc/07/26/71/1067072671.db2.gz CDBYLJLRWNRCOO-KURKYZTESA-N 0 0 457.279 4.815 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)CN(C)C(=O)OCc4ccccc4)cc32)c1 ZINC001458481069 1067072801 /nfs/dbraw/zinc/07/28/01/1067072801.db2.gz FICGPVGVFCFWBN-UHFFFAOYSA-N 0 0 457.530 4.905 20 0 JJADRN O=C(Nc1ccnc(-c2ccccc2)c1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458480966 1067072866 /nfs/dbraw/zinc/07/28/66/1067072866.db2.gz UYNASHCZYGTVSU-SFHVURJKSA-N 0 0 451.473 4.841 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ncncc2Br)cc1 ZINC001458480834 1067072879 /nfs/dbraw/zinc/07/28/79/1067072879.db2.gz XRBOENACQKMOHL-HKUYNNGSSA-N 0 0 477.403 4.843 20 0 JJADRN CCCc1nc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)nn1-c1ccccc1Cl ZINC001450351907 1067072773 /nfs/dbraw/zinc/07/27/73/1067072773.db2.gz XRWPYHLUJCZKRT-MRXNPFEDSA-N 0 0 453.757 4.643 20 0 JJADRN CCOC(=O)CCc1cc(N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)nc(C)n1 ZINC001458485512 1067073023 /nfs/dbraw/zinc/07/30/23/1067073023.db2.gz YOHQBDBPPKHDCD-JOCHJYFZSA-N 0 0 451.489 4.781 20 0 JJADRN Cc1ccc(/C=C\c2cc(C(=O)NCc3ccn(C)n3)c3cc(Br)ccc3n2)o1 ZINC001458482457 1067073153 /nfs/dbraw/zinc/07/31/53/1067073153.db2.gz OWMGRQNXCVLVHD-ALCCZGGFSA-N 0 0 451.324 4.733 20 0 JJADRN CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001458488065 1067073419 /nfs/dbraw/zinc/07/34/19/1067073419.db2.gz NJRITKZBFZKOLS-LJQANCHMSA-N 0 0 454.375 4.868 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CC(C)(C)c3ccc(Br)cc32)n1 ZINC001458488863 1067073634 /nfs/dbraw/zinc/07/36/34/1067073634.db2.gz DPLZRYZMXWWRRS-UHFFFAOYSA-N 0 0 455.150 4.608 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1)SC ZINC001545779169 1067073800 /nfs/dbraw/zinc/07/38/00/1067073800.db2.gz FHTVYCGFVAXUHE-UHFFFAOYSA-N 0 0 482.698 4.663 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)N(Cc2ccc3ccccc3n2)c2ccc(N(C)C)cc2)c1 ZINC001458492290 1067073948 /nfs/dbraw/zinc/07/39/48/1067073948.db2.gz QSXHDFBUHBQDSX-UHFFFAOYSA-N 0 0 453.546 4.899 20 0 JJADRN Cc1cc(Br)cc(N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001458488925 1067074123 /nfs/dbraw/zinc/07/41/23/1067074123.db2.gz FPKAARHHEPDSNC-OCCSQVGLSA-N 0 0 452.315 4.682 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001546022485 1067074106 /nfs/dbraw/zinc/07/41/06/1067074106.db2.gz GIQFJJLKUCASFG-UHFFFAOYSA-N 0 0 498.372 4.825 20 0 JJADRN CCc1nc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nn1-c1ccccc1Cl ZINC001546022230 1067074256 /nfs/dbraw/zinc/07/42/56/1067074256.db2.gz ZSYSUVOUJZCVCM-UGKGYDQZSA-N 0 0 452.986 4.992 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccnc(N(C)C)c2)CCC(=O)N1c1ccc(C)cc1 ZINC001458493071 1067074327 /nfs/dbraw/zinc/07/43/27/1067074327.db2.gz UWANLVMLCDPDQB-NVQXNPDNSA-N 0 0 458.562 4.588 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1)SC ZINC001545779437 1067074596 /nfs/dbraw/zinc/07/45/96/1067074596.db2.gz OCPDEMNUARIXPT-LPHOPBHVSA-N 0 0 460.673 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001450382179 1067075012 /nfs/dbraw/zinc/07/50/12/1067075012.db2.gz COSGERZTIWKJRE-MRXNPFEDSA-N 0 0 456.505 4.938 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c2)n1 ZINC001545780086 1067075348 /nfs/dbraw/zinc/07/53/48/1067075348.db2.gz LGQMIDBMDAOEKG-UHFFFAOYSA-N 0 0 451.479 4.842 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450391668 1067075478 /nfs/dbraw/zinc/07/54/78/1067075478.db2.gz BGHWKLUFZPXFER-UHFFFAOYSA-N 0 0 455.368 4.760 20 0 JJADRN CC(C)C(=O)Nc1nc(CC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC001450386202 1067075565 /nfs/dbraw/zinc/07/55/65/1067075565.db2.gz MQZFHFAZSRLVPW-UHFFFAOYSA-N 0 0 455.502 4.585 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)NC(=O)OC(C)(C)C ZINC001545779757 1067075581 /nfs/dbraw/zinc/07/55/81/1067075581.db2.gz ZRMVCGRVSMPDOT-TYPHKJRUSA-N 0 0 485.677 4.777 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)C3([C@]4(O)CCCN(C(=O)OC(C)(C)C)C4)CCC3)c2)n1 ZINC001545779841 1067075599 /nfs/dbraw/zinc/07/55/99/1067075599.db2.gz COWQOGIPSOOHQN-VWLOTQADSA-N 0 0 455.555 4.521 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccn1 ZINC001458500783 1067075732 /nfs/dbraw/zinc/07/57/32/1067075732.db2.gz OCQAFFYTFSXXKM-HSZRJFAPSA-N 0 0 455.352 4.918 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)c1 ZINC001458499898 1067075779 /nfs/dbraw/zinc/07/57/79/1067075779.db2.gz HTTQKHZUPQMWGT-AWEZNQCLSA-N 0 0 459.395 4.619 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCCC2=O)CC1)SC ZINC001545780594 1067075817 /nfs/dbraw/zinc/07/58/17/1067075817.db2.gz AVDQWMGFVYAFNM-UHFFFAOYSA-N 0 0 470.687 4.552 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1COC(C)(C)OC1)OC ZINC001545780606 1067075969 /nfs/dbraw/zinc/07/59/69/1067075969.db2.gz BIRCXAHFBWEOCB-UHFFFAOYSA-N 0 0 483.613 4.641 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001450403720 1067076226 /nfs/dbraw/zinc/07/62/26/1067076226.db2.gz GZOLFEKSCHAPAW-IYWMVGAKSA-N 0 0 456.656 4.668 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1 ZINC001458501687 1067076299 /nfs/dbraw/zinc/07/62/99/1067076299.db2.gz KZRHYEXCJLXVKC-LBPRGKRZSA-N 0 0 459.793 4.573 20 0 JJADRN Cc1cc(=O)c(C(=O)NC[C@]2(C)CCCc3ccccc32)nn1-c1ccccc1C(F)(F)F ZINC001458501812 1067076359 /nfs/dbraw/zinc/07/63/59/1067076359.db2.gz BQBMZOJBFCKXNK-DEOSSOPVSA-N 0 0 455.480 4.584 20 0 JJADRN Cc1cc(NC(=O)c2cc(F)ccc2Br)nn1CCCOc1ccc(F)cc1 ZINC001458503707 1067076609 /nfs/dbraw/zinc/07/66/09/1067076609.db2.gz CAERXAHEFTWKKF-UHFFFAOYSA-N 0 0 450.283 4.954 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)CCCC2)c(C)c1 ZINC001450404700 1067076669 /nfs/dbraw/zinc/07/66/69/1067076669.db2.gz QOMBWUMVPOHYQF-QFIPXVFZSA-N 0 0 454.615 4.573 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H]1C)OC ZINC001545780992 1067076671 /nfs/dbraw/zinc/07/66/71/1067076671.db2.gz PWXLSEGHJFOTGG-OALUTQOASA-N 0 0 466.630 4.676 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1N1CCCC1)SC ZINC001545780985 1067076721 /nfs/dbraw/zinc/07/67/21/1067076721.db2.gz PMIWCLIYAISKJM-UHFFFAOYSA-N 0 0 465.671 4.894 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)nn1CCCOc1ccc(F)cc1 ZINC001458504390 1067076641 /nfs/dbraw/zinc/07/66/41/1067076641.db2.gz CULWDWKMCGCPBF-UHFFFAOYSA-N 0 0 453.905 4.891 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001458505292 1067077083 /nfs/dbraw/zinc/07/70/83/1067077083.db2.gz WIWDVNBUHCRHKN-ZIAGYGMSSA-N 0 0 459.395 4.617 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2OCc2cccs2)c1 ZINC001458505351 1067077096 /nfs/dbraw/zinc/07/70/96/1067077096.db2.gz XAUJWVSOHPXKAO-QGZVFWFLSA-N 0 0 458.605 4.797 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC001545781308 1067077652 /nfs/dbraw/zinc/07/76/52/1067077652.db2.gz AELVSHINXRPKSD-PTNGSMBKSA-N 0 0 452.860 4.513 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001458505515 1067077744 /nfs/dbraw/zinc/07/77/44/1067077744.db2.gz ZLIAKPGUFUDEKA-CVEARBPZSA-N 0 0 456.530 4.741 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001458505525 1067077795 /nfs/dbraw/zinc/07/77/95/1067077795.db2.gz ZLIAKPGUFUDEKA-HZPDHXFCSA-N 0 0 456.530 4.741 20 0 JJADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1)SC ZINC001545782479 1067077992 /nfs/dbraw/zinc/07/79/92/1067077992.db2.gz NWBWFPASKSNBLE-INIZCTEOSA-N 0 0 470.643 4.519 20 0 JJADRN Cc1sc(CC(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1-c1ccco1 ZINC001450411021 1067078061 /nfs/dbraw/zinc/07/80/61/1067078061.db2.gz NSGGBMAWRGIGFD-ROUUACIJSA-N 0 0 459.612 4.892 20 0 JJADRN O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450410502 1067078130 /nfs/dbraw/zinc/07/81/30/1067078130.db2.gz KZCFUEQQSXJISS-AHKZPQOWSA-N 0 0 451.513 4.929 20 0 JJADRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)c1ccccc1OCc1ccccc1 ZINC001458507213 1067078163 /nfs/dbraw/zinc/07/81/63/1067078163.db2.gz NFVDOOFTQBZHIR-KRWDZBQOSA-N 0 0 459.514 4.894 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3OC(F)F)c2N1 ZINC001545783024 1067078278 /nfs/dbraw/zinc/07/82/78/1067078278.db2.gz CQBUMIFHPMJLLA-JMCQJSRRSA-N 0 0 455.239 4.732 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)NC(=O)OC(C)(C)C ZINC001545782544 1067078342 /nfs/dbraw/zinc/07/83/42/1067078342.db2.gz PHHHACMRYIYKLQ-UHFFFAOYSA-N 0 0 492.068 4.930 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001450412743 1067078421 /nfs/dbraw/zinc/07/84/21/1067078421.db2.gz PHUCKSITILXUAW-QFIPXVFZSA-N 0 0 457.357 4.530 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)c3cc4c(cc3Br)NC(=O)CO4)c2)cc1 ZINC001545783509 1067078635 /nfs/dbraw/zinc/07/86/35/1067078635.db2.gz UHQHFMJZGNRIPA-UHFFFAOYSA-N 0 0 451.320 4.685 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1)SC ZINC001545783787 1067078693 /nfs/dbraw/zinc/07/86/93/1067078693.db2.gz BXINAFPZXAIWRJ-SFHVURJKSA-N 0 0 494.652 4.860 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOc2ccc(F)cc2)CCO1 ZINC001546101542 1067078834 /nfs/dbraw/zinc/07/88/34/1067078834.db2.gz FWSJLMRIFSKKKV-XLGIIRLISA-N 0 0 474.621 4.810 20 0 JJADRN COc1c(C)[nH]cc(CN(C)c2nc(-c3ccccc3C(F)(F)F)nc3ccccc32)c1=O ZINC001458513230 1067078849 /nfs/dbraw/zinc/07/88/49/1067078849.db2.gz JPEQLKDYVJHUGD-UHFFFAOYSA-N 0 0 454.452 4.957 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCS2)CCO1 ZINC001546101585 1067079174 /nfs/dbraw/zinc/07/91/74/1067079174.db2.gz GNTYTTAEFFURLK-NTUVXCKYSA-N 0 0 479.691 4.641 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450418109 1067079388 /nfs/dbraw/zinc/07/93/88/1067079388.db2.gz VFBOLYLPMQVXSU-BURNTYAHSA-N 0 0 479.662 4.708 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCCN3Cc3cccc(F)c3)CC2)cc1 ZINC001450418035 1067079458 /nfs/dbraw/zinc/07/94/58/1067079458.db2.gz VCNBWKOKUBJXRT-FTJBHMTQSA-N 0 0 454.586 4.551 20 0 JJADRN Cc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1I ZINC001458516192 1067079435 /nfs/dbraw/zinc/07/94/35/1067079435.db2.gz CHXWVMNTMPGRET-UHFFFAOYSA-N 0 0 454.271 4.790 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)OC1CCCC1)NC(=O)OC(C)(C)C ZINC001545783955 1067079654 /nfs/dbraw/zinc/07/96/54/1067079654.db2.gz HGINPEUBIIEGDU-GOSISDBHSA-N 0 0 465.639 4.566 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1ncc(Br)cc1C(F)(F)F ZINC001458522343 1067079782 /nfs/dbraw/zinc/07/97/82/1067079782.db2.gz IYTNIWAAPYFZIS-UHFFFAOYSA-N 0 0 450.299 4.889 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001458523869 1067080192 /nfs/dbraw/zinc/08/01/92/1067080192.db2.gz WSXRTYRAACKRLM-JOCHJYFZSA-N 0 0 458.459 4.757 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(COc2cccc(Br)c2)o1 ZINC001458523344 1067080205 /nfs/dbraw/zinc/08/02/05/1067080205.db2.gz UWLSOKVYCSRPEY-BPQIPLTHSA-N 0 0 454.411 4.731 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1)SC ZINC001545784400 1067080354 /nfs/dbraw/zinc/08/03/54/1067080354.db2.gz RYGURJVKMCXEIR-VXKWHMMOSA-N 0 0 458.672 4.889 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001546022727 1067080548 /nfs/dbraw/zinc/08/05/48/1067080548.db2.gz LQHOMYOZRXKZCF-RBBKRZOGSA-N 0 0 496.656 4.737 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)CCO1 ZINC001546101677 1067080607 /nfs/dbraw/zinc/08/06/07/1067080607.db2.gz ITMGMXAEOMMDTP-SXAMTPKJSA-N 0 0 481.641 4.768 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C/c2ccccc2)CCO1 ZINC001546101678 1067080735 /nfs/dbraw/zinc/08/07/35/1067080735.db2.gz ITMGMXAEOMMDTP-WDLGRMFZSA-N 0 0 481.641 4.768 20 0 JJADRN COc1ccc(-c2cnc(NC(=O)CC3(CNC(=O)OC(C)(C)C)CCCCC3)n2C)cc1 ZINC001450440289 1067080651 /nfs/dbraw/zinc/08/06/51/1067080651.db2.gz CQGLFGXLOLAAKP-UHFFFAOYSA-N 0 0 456.587 4.900 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)OC ZINC001545784466 1067080769 /nfs/dbraw/zinc/08/07/69/1067080769.db2.gz TULCCPLFDAYLQZ-LJQANCHMSA-N 0 0 495.590 4.723 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)OC ZINC001545784439 1067080806 /nfs/dbraw/zinc/08/08/06/1067080806.db2.gz SSLVYMFLUPXZES-VXNXHJTFSA-N 0 0 470.658 4.981 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)SC ZINC001545784475 1067080829 /nfs/dbraw/zinc/08/08/29/1067080829.db2.gz UAGMGEAIRFPCBZ-OAQYLSRUSA-N 0 0 477.719 4.670 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)SC ZINC001545784427 1067080857 /nfs/dbraw/zinc/08/08/57/1067080857.db2.gz SQYPXTMXNNKVSO-QZTJIDSGSA-N 0 0 467.680 4.545 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC001458524172 1067080752 /nfs/dbraw/zinc/08/07/52/1067080752.db2.gz XUPCLJSZBGLSQV-VYDXJSESSA-N 0 0 455.468 4.611 20 0 JJADRN C[C@H](NC(=O)c1cc(Cl)nc(C2CC2)c1)c1ccc(Br)cc1OCCCO ZINC001450447171 1067081121 /nfs/dbraw/zinc/08/11/21/1067081121.db2.gz LDFBEGKQMXEOTN-LBPRGKRZSA-N 0 0 453.764 4.627 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC001450449772 1067081312 /nfs/dbraw/zinc/08/13/12/1067081312.db2.gz CBWFLZNXOMGOQY-ZDKIGPTLSA-N 0 0 455.352 4.649 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(Nc2ncc(C(F)(F)F)cc2I)cc1 ZINC001458527093 1067081428 /nfs/dbraw/zinc/08/14/28/1067081428.db2.gz RPZNQNGUIPEKLP-QWHCGFSZSA-N 0 0 462.209 4.725 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(C)n1 ZINC001458528175 1067081485 /nfs/dbraw/zinc/08/14/85/1067081485.db2.gz YTYHGKHURORZCR-FQEVSTJZSA-N 0 0 451.398 4.610 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001546022967 1067081433 /nfs/dbraw/zinc/08/14/33/1067081433.db2.gz RWXAWMRVVURPHN-XKGZKEIXSA-N 0 0 484.563 4.742 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1)SC ZINC001545785698 1067081525 /nfs/dbraw/zinc/08/15/25/1067081525.db2.gz ATSPMFBOVJRVBP-IBGZPJMESA-N 0 0 493.674 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001458527045 1067081596 /nfs/dbraw/zinc/08/15/96/1067081596.db2.gz DNXCUQUIPIFPRC-SFHVURJKSA-N 0 0 458.990 4.724 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001545784767 1067081625 /nfs/dbraw/zinc/08/16/25/1067081625.db2.gz AYZSZOFUUQZDBF-LJQANCHMSA-N 0 0 450.501 4.662 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)OC ZINC001545784666 1067081660 /nfs/dbraw/zinc/08/16/60/1067081660.db2.gz YAVCLLARWBVUKA-ACRUOGEOSA-N 0 0 491.677 4.561 20 0 JJADRN O=C(NC[C@@H]1CCCS1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001545785303 1067081701 /nfs/dbraw/zinc/08/17/01/1067081701.db2.gz PWPHNZFDULUXMK-FQEVSTJZSA-N 0 0 452.601 4.780 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC=C(C)C1)SC ZINC001545786528 1067082296 /nfs/dbraw/zinc/08/22/96/1067082296.db2.gz QWJZCLNYVUSEIP-UHFFFAOYSA-N 0 0 455.676 4.530 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)c(OC)c1 ZINC001458531976 1067082630 /nfs/dbraw/zinc/08/26/30/1067082630.db2.gz SKSOPMIMKFPUOK-ZEQRLZLVSA-N 0 0 450.579 4.626 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001546023148 1067082667 /nfs/dbraw/zinc/08/26/67/1067082667.db2.gz XNPZIGGIGWDHMG-FYYLOGMGSA-N 0 0 470.658 4.839 20 0 JJADRN CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)CC1 ZINC001545787329 1067083096 /nfs/dbraw/zinc/08/30/96/1067083096.db2.gz LJTDUODYUWBUOM-IYUIPRCHSA-N 0 0 454.655 4.986 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2cccc(F)c2)CCO1 ZINC001546101828 1067083110 /nfs/dbraw/zinc/08/31/10/1067083110.db2.gz MLKYXFFBMFXZHZ-IUVOSCESSA-N 0 0 474.621 4.809 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)CCO1 ZINC001546101859 1067083183 /nfs/dbraw/zinc/08/31/83/1067083183.db2.gz NFKXRSRZJNSLMO-BFMBIBTESA-N 0 0 474.671 4.645 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1)OC ZINC001545787945 1067083310 /nfs/dbraw/zinc/08/33/10/1067083310.db2.gz CEQCXOHROWVOON-NRFANRHFSA-N 0 0 485.579 4.795 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC001458534213 1067083410 /nfs/dbraw/zinc/08/34/10/1067083410.db2.gz WRGJSFRKCOMFJH-LAUBAEHRSA-N 0 0 450.620 4.574 20 0 JJADRN O=C(NCCc1ccc(Br)cc1Cl)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001450471623 1067083435 /nfs/dbraw/zinc/08/34/35/1067083435.db2.gz PJMWARRRPMYWQE-HXUWFJFHSA-N 0 0 453.783 4.955 20 0 JJADRN Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001450471695 1067083658 /nfs/dbraw/zinc/08/36/58/1067083658.db2.gz RJCLSBUHMRUBET-UHFFFAOYSA-N 0 0 451.567 4.977 20 0 JJADRN CC(C)c1cccc(OCC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 ZINC001450475715 1067083671 /nfs/dbraw/zinc/08/36/71/1067083671.db2.gz RHLNXTJBTIPFEY-DQEYMECFSA-N 0 0 450.579 4.742 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450471685 1067083763 /nfs/dbraw/zinc/08/37/63/1067083763.db2.gz MBMAWBLVOWVMTA-ISKFKSNPSA-N 0 0 456.533 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2C1 ZINC001450471765 1067083795 /nfs/dbraw/zinc/08/37/95/1067083795.db2.gz SHIVXZZFDLAIAF-FQEVSTJZSA-N 0 0 452.551 4.962 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(C(C)=O)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001458536777 1067084087 /nfs/dbraw/zinc/08/40/87/1067084087.db2.gz TXCXYBXDOBIEBJ-NVQXNPDNSA-N 0 0 457.530 4.724 20 0 JJADRN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(C(C)=O)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001458536765 1067084102 /nfs/dbraw/zinc/08/41/02/1067084102.db2.gz TXCXYBXDOBIEBJ-ATIYNZHBSA-N 0 0 457.530 4.724 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)c2)cc1 ZINC001450477742 1067083994 /nfs/dbraw/zinc/08/39/94/1067083994.db2.gz CXZIYFXQSVLPKC-AQYVVDRMSA-N 0 0 452.551 4.635 20 0 JJADRN C[C@@]1(C(=O)N2CCc3c(F)ccc(Br)c3C2)CC(c2ccccc2Cl)=NO1 ZINC001450477311 1067084250 /nfs/dbraw/zinc/08/42/50/1067084250.db2.gz CCMPQTAAQYRNKS-FQEVSTJZSA-N 0 0 451.723 4.710 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)NC(=O)OC(C)(C)C ZINC001545788213 1067084225 /nfs/dbraw/zinc/08/42/25/1067084225.db2.gz MTOSZIATRWZMQI-MUUNZHRXSA-N 0 0 499.700 4.966 20 0 JJADRN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc([S@](C)=O)cc1 ZINC001458538974 1067084311 /nfs/dbraw/zinc/08/43/11/1067084311.db2.gz YGQWHSNQMCXHDE-FOGNVHKLSA-N 0 0 458.630 4.707 20 0 JJADRN CSCc1cc(C(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)ccc1F ZINC001450480074 1067084366 /nfs/dbraw/zinc/08/43/66/1067084366.db2.gz XZOLQCHOKKMMIY-GMAHTHKFSA-N 0 0 456.583 4.856 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC001458542345 1067084719 /nfs/dbraw/zinc/08/47/19/1067084719.db2.gz KSZTWALVGPNDEF-SFHVURJKSA-N 0 0 458.002 4.733 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC001458542341 1067084809 /nfs/dbraw/zinc/08/48/09/1067084809.db2.gz KSZTWALVGPNDEF-GOSISDBHSA-N 0 0 458.002 4.733 20 0 JJADRN CCC(CC)(Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC ZINC001545788563 1067084934 /nfs/dbraw/zinc/08/49/34/1067084934.db2.gz YQVQAZJUADJRGV-NRFANRHFSA-N 0 0 472.584 4.600 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1)SC ZINC001545788509 1067084993 /nfs/dbraw/zinc/08/49/93/1067084993.db2.gz XHKSIWDDJMFKRN-UHFFFAOYSA-N 0 0 463.717 4.812 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545788573 1067085119 /nfs/dbraw/zinc/08/51/19/1067085119.db2.gz YXPYWPHZSFJXNN-OAQYLSRUSA-N 0 0 489.636 4.707 20 0 JJADRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4c(Cl)cccc4S(C)(=O)=O)cc3)ccc2O1 ZINC001458543324 1067085083 /nfs/dbraw/zinc/08/50/83/1067085083.db2.gz VGADOJMAFTXPDL-OAHLLOKOSA-N 0 0 455.963 4.664 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545788613 1067085216 /nfs/dbraw/zinc/08/52/16/1067085216.db2.gz ZSVIAWSNBQAVIG-HXUWFJFHSA-N 0 0 489.636 4.707 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(c2nn3cc(-c4cccnc4)nc3s2)C1 ZINC001458545825 1067085406 /nfs/dbraw/zinc/08/54/06/1067085406.db2.gz GHKMZTYMJDFRIK-QHCPKHFHSA-N 0 0 456.616 4.620 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1Cc2ccccc2C1)NC(=O)OC(C)(C)C ZINC001545789258 1067085301 /nfs/dbraw/zinc/08/53/01/1067085301.db2.gz AMMUVLMBQAZQJT-UHFFFAOYSA-N 0 0 476.625 4.868 20 0 JJADRN CC1(C)CN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C[C@@H](C(F)(F)F)O1 ZINC001450511929 1067085474 /nfs/dbraw/zinc/08/54/74/1067085474.db2.gz RESVBGZIDOOZMO-SFHVURJKSA-N 0 0 454.514 4.891 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC001546023771 1067085881 /nfs/dbraw/zinc/08/58/81/1067085881.db2.gz MQJVTGWPPVKZQU-UHFFFAOYSA-N 0 0 456.999 4.664 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCCC2=O)CC1)SC ZINC001545789398 1067085855 /nfs/dbraw/zinc/08/58/55/1067085855.db2.gz GBQHAPCEIRQNCL-UHFFFAOYSA-N 0 0 499.725 4.781 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)OC ZINC001545789351 1067085873 /nfs/dbraw/zinc/08/58/73/1067085873.db2.gz DHPUDAPNZGZQBZ-UHFFFAOYSA-N 0 0 485.648 4.585 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546101984 1067085995 /nfs/dbraw/zinc/08/59/95/1067085995.db2.gz PAWKQWGQNVQQAC-SANMLTNESA-N 0 0 483.588 4.622 20 0 JJADRN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450528785 1067086284 /nfs/dbraw/zinc/08/62/84/1067086284.db2.gz PAHWSGTUWQUHJY-UHFFFAOYSA-N 0 0 452.711 4.802 20 0 JJADRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001450525489 1067086414 /nfs/dbraw/zinc/08/64/14/1067086414.db2.gz RGFRNGQRAUTEND-UHFFFAOYSA-N 0 0 451.014 4.975 20 0 JJADRN CCC(CC)(Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)c(F)c1)OC ZINC001545789778 1067086782 /nfs/dbraw/zinc/08/67/82/1067086782.db2.gz SUDWIFSCNIDCPT-UHFFFAOYSA-N 0 0 468.552 4.636 20 0 JJADRN COc1ccccc1[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001458555416 1067086870 /nfs/dbraw/zinc/08/68/70/1067086870.db2.gz CSIBJGDWPCPMKD-SFHVURJKSA-N 0 0 453.560 4.554 20 0 JJADRN O=C(Nc1ccc2cccc(Br)c2n1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001545790094 1067087017 /nfs/dbraw/zinc/08/70/17/1067087017.db2.gz CJNABRANLGZPEF-UHFFFAOYSA-N 0 0 453.340 4.880 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)OC ZINC001545789906 1067087146 /nfs/dbraw/zinc/08/71/46/1067087146.db2.gz XVZZJFHQBIHWSL-UHFFFAOYSA-N 0 0 499.656 4.546 20 0 JJADRN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001450535028 1067087116 /nfs/dbraw/zinc/08/71/16/1067087116.db2.gz ALTPDCWESJGZTP-NRFANRHFSA-N 0 0 450.901 4.580 20 0 JJADRN O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001450535030 1067087237 /nfs/dbraw/zinc/08/72/37/1067087237.db2.gz ALTPDCWESJGZTP-OAQYLSRUSA-N 0 0 450.901 4.580 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)OC ZINC001545790938 1067087651 /nfs/dbraw/zinc/08/76/51/1067087651.db2.gz BUWFEMHWRNXICB-UHFFFAOYSA-N 0 0 481.666 4.534 20 0 JJADRN COc1ccc([C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC001458559423 1067087666 /nfs/dbraw/zinc/08/76/66/1067087666.db2.gz BKMRNUZTMQELAT-SFHVURJKSA-N 0 0 453.560 4.554 20 0 JJADRN C[C@H](OC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001458564202 1067088183 /nfs/dbraw/zinc/08/81/83/1067088183.db2.gz KBCHJQONJWOPGY-POZUXBRTSA-N 0 0 455.404 4.939 20 0 JJADRN COc1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c(OC)c1 ZINC001458566694 1067088649 /nfs/dbraw/zinc/08/86/49/1067088649.db2.gz BXBGLXZGGIZOHW-QFIPXVFZSA-N 0 0 450.535 4.853 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545791354 1067088633 /nfs/dbraw/zinc/08/86/33/1067088633.db2.gz PHZMXKOTWWSNHD-MRXNPFEDSA-N 0 0 462.664 4.564 20 0 JJADRN CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1)SC ZINC001545791398 1067088690 /nfs/dbraw/zinc/08/86/90/1067088690.db2.gz QWKQDAYXYLASLA-SFHVURJKSA-N 0 0 475.707 4.507 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC001458569022 1067089086 /nfs/dbraw/zinc/08/90/86/1067089086.db2.gz WCOYSXSXXWTDFQ-UXHICEINSA-N 0 0 451.523 4.675 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001450543310 1067089058 /nfs/dbraw/zinc/08/90/58/1067089058.db2.gz HAGZBFAWJXFOQR-OAHLLOKOSA-N 0 0 451.564 4.675 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CC(OCC)C3)ccc2C)cc1 ZINC001450548708 1067089353 /nfs/dbraw/zinc/08/93/53/1067089353.db2.gz SDOPGRFKTMLNTG-UHFFFAOYSA-N 0 0 458.624 4.778 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)OC ZINC001545792675 1067090390 /nfs/dbraw/zinc/09/03/90/1067090390.db2.gz IQFMZJSVAZLBGE-IFMALSPDSA-N 0 0 486.613 4.608 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N(C)c1cccc(C)c1)NC(=O)OC(C)(C)C ZINC001545792543 1067090554 /nfs/dbraw/zinc/09/05/54/1067090554.db2.gz DMMHGHOPUGKOQV-UHFFFAOYSA-N 0 0 484.645 4.560 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001450552665 1067090672 /nfs/dbraw/zinc/09/06/72/1067090672.db2.gz YDFGUPUNCOSXLZ-CTNGQTDRSA-N 0 0 451.828 4.882 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450552967 1067090724 /nfs/dbraw/zinc/09/07/24/1067090724.db2.gz NCQOJPUDQGPUCW-KRWDZBQOSA-N 0 0 455.407 4.844 20 0 JJADRN CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(F)c1)SC ZINC001545792779 1067090944 /nfs/dbraw/zinc/09/09/44/1067090944.db2.gz MKIHZTMDTZFLMC-UHFFFAOYSA-N 0 0 462.614 4.976 20 0 JJADRN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001450553983 1067090987 /nfs/dbraw/zinc/09/09/87/1067090987.db2.gz SVYPKUAGUGFURX-IBGZPJMESA-N 0 0 456.468 4.582 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(C)cc2C)CCO1 ZINC001546102230 1067090984 /nfs/dbraw/zinc/09/09/84/1067090984.db2.gz UHLAUHHNUWQFLL-JWZKTCGFSA-N 0 0 497.684 4.914 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)CC(C)(C)O2 ZINC001450553330 1067091127 /nfs/dbraw/zinc/09/11/27/1067091127.db2.gz MSFLKPXGGQXDBW-KRWDZBQOSA-N 0 0 452.511 4.648 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)c(C)c1OC ZINC001450563426 1067091270 /nfs/dbraw/zinc/09/12/70/1067091270.db2.gz HPRWLDFRNYKTGE-OAHLLOKOSA-N 0 0 458.555 4.505 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c(C)c1OC ZINC001450559719 1067091383 /nfs/dbraw/zinc/09/13/83/1067091383.db2.gz CMNLZAULQKODOD-DYESRHJHSA-N 0 0 454.567 4.724 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)Cc2ccccc2O1 ZINC001450562599 1067091573 /nfs/dbraw/zinc/09/15/73/1067091573.db2.gz VRSIROSMAXRBDT-MRXNPFEDSA-N 0 0 456.951 4.564 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458591168 1067091818 /nfs/dbraw/zinc/09/18/18/1067091818.db2.gz UEUZWSHRLPMHJY-KUHUBIRLSA-N 0 0 456.867 4.988 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)SC ZINC001545793155 1067092010 /nfs/dbraw/zinc/09/20/10/1067092010.db2.gz XPOHNLUQHRPNGZ-UYAOXDASSA-N 0 0 474.627 4.510 20 0 JJADRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC001450589255 1067092323 /nfs/dbraw/zinc/09/23/23/1067092323.db2.gz LMPGAKBBCRZBNX-VWLOTQADSA-N 0 0 454.567 4.790 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001546024340 1067092472 /nfs/dbraw/zinc/09/24/72/1067092472.db2.gz BDQUBYKTIXZLJT-UHFFFAOYSA-N 0 0 495.693 4.823 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3ccnn3Cc3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC001458598568 1067092572 /nfs/dbraw/zinc/09/25/72/1067092572.db2.gz LKVVXJBJYPYQKT-UHFFFAOYSA-N 0 0 459.472 4.714 20 0 JJADRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001450589292 1067092765 /nfs/dbraw/zinc/09/27/65/1067092765.db2.gz NGAHPZUMKGVWDM-JKSUJKDBSA-N 0 0 452.523 4.596 20 0 JJADRN CCC(CC)(Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1)SC ZINC001545794522 1067092801 /nfs/dbraw/zinc/09/28/01/1067092801.db2.gz FXEYNAKXADSKJE-VWLOTQADSA-N 0 0 476.662 4.942 20 0 JJADRN CCC(CC)(Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)SC ZINC001545794540 1067092901 /nfs/dbraw/zinc/09/29/01/1067092901.db2.gz GOINFAMHGLUJPG-QGZVFWFLSA-N 0 0 453.697 4.943 20 0 JJADRN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001458601015 1067092907 /nfs/dbraw/zinc/09/29/07/1067092907.db2.gz OJGGLBCCZIVHRD-UHFFFAOYSA-N 0 0 458.444 4.716 20 0 JJADRN CC(C)(CNc1cc(C(F)(F)F)nc2c(F)cc(Br)cc12)CS(C)(=O)=O ZINC001458599715 1067092997 /nfs/dbraw/zinc/09/29/97/1067092997.db2.gz ZFEFQQYDZKVCNR-UHFFFAOYSA-N 0 0 457.287 4.638 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545794836 1067093634 /nfs/dbraw/zinc/09/36/34/1067093634.db2.gz PPOCJPDPDLYOBR-UHFFFAOYSA-N 0 0 486.016 4.682 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001450599878 1067093720 /nfs/dbraw/zinc/09/37/20/1067093720.db2.gz FESXJYGKSBMLKU-PGRDOPGGSA-N 0 0 454.368 4.529 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)cn1 ZINC001450601730 1067093779 /nfs/dbraw/zinc/09/37/79/1067093779.db2.gz GNXAEWBRGGDBIY-AVRDEDQJSA-N 0 0 454.368 4.529 20 0 JJADRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001450598371 1067093816 /nfs/dbraw/zinc/09/38/16/1067093816.db2.gz WJFLYDXGIFEXIC-SJORKVTESA-N 0 0 450.988 4.971 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)O[C@@H](C)c2ccc(F)c(C(F)(F)F)c2)cs1)C(N)=O ZINC001458610088 1067094255 /nfs/dbraw/zinc/09/42/55/1067094255.db2.gz RRKLFSSZTDBIRZ-LKFCYVNXSA-N 0 0 450.479 4.504 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)COc3cccc(Cl)c3)n2)CC1 ZINC001450606616 1067094540 /nfs/dbraw/zinc/09/45/40/1067094540.db2.gz IVDJTRUVIWXGJT-UHFFFAOYSA-N 0 0 451.976 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(c3oc(-c4ccccc4)nc3C(F)(F)F)C2)C1 ZINC001458610155 1067094647 /nfs/dbraw/zinc/09/46/47/1067094647.db2.gz WSUKCVYBSMBLKQ-OAQYLSRUSA-N 0 0 453.461 4.577 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)SC ZINC001545795092 1067094504 /nfs/dbraw/zinc/09/45/04/1067094504.db2.gz XAWOCKPIUSVZCV-NRFANRHFSA-N 0 0 482.119 4.847 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)SC ZINC001545795050 1067094585 /nfs/dbraw/zinc/09/45/85/1067094585.db2.gz VTKHWJRFWSUOHA-GOSISDBHSA-N 0 0 488.576 4.555 20 0 JJADRN CCC(CC)(Cn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545795060 1067094619 /nfs/dbraw/zinc/09/46/19/1067094619.db2.gz VZHGFWZOMKQBDJ-VBANMALSSA-N 0 0 470.658 4.906 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)cc1 ZINC001450605320 1067094741 /nfs/dbraw/zinc/09/47/41/1067094741.db2.gz KQXWHQPRNUKVLN-YJSIEXFISA-N 0 0 457.412 4.591 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)OC ZINC001545795129 1067095032 /nfs/dbraw/zinc/09/50/32/1067095032.db2.gz YPWDNPVLXQBRDJ-OAQYLSRUSA-N 0 0 487.048 4.963 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc2[nH]ccc21 ZINC001450608644 1067095158 /nfs/dbraw/zinc/09/51/58/1067095158.db2.gz MWYKOTLVWPUTQG-SNVBAGLBSA-N 0 0 451.704 4.776 20 0 JJADRN C[C@@H](OC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612635 1067095197 /nfs/dbraw/zinc/09/51/97/1067095197.db2.gz CCDHXZRWCLWWLL-VSVYTNTFSA-N 0 0 454.489 4.951 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2CCOC2CCCCCC2)CCO1 ZINC001546102369 1067095211 /nfs/dbraw/zinc/09/52/11/1067095211.db2.gz XCBYOABZTRHUOA-RUZDIDTESA-N 0 0 460.594 4.741 20 0 JJADRN O=C(CCCOc1ccc(F)cc1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450608937 1067095276 /nfs/dbraw/zinc/09/52/76/1067095276.db2.gz NUPSMZMDOBJPCE-HTAPYJJXSA-N 0 0 450.348 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccnc(-n4cccc4)c3)n2)CC1 ZINC001450610810 1067095475 /nfs/dbraw/zinc/09/54/75/1067095475.db2.gz QGIWEGSZBFODCU-UHFFFAOYSA-N 0 0 453.568 4.696 20 0 JJADRN COc1ccccc1C/C(C)=C\C(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450611143 1067095490 /nfs/dbraw/zinc/09/54/90/1067095490.db2.gz SCNSFUUBTAJTKY-YATNJUCZSA-N 0 0 458.396 4.919 20 0 JJADRN C[C@@H](OC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612634 1067095439 /nfs/dbraw/zinc/09/54/39/1067095439.db2.gz CCDHXZRWCLWWLL-RYKRPPSOSA-N 0 0 454.489 4.951 20 0 JJADRN CC(C)(C)OC(=O)CCCC(=O)Nc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001450609406 1067095632 /nfs/dbraw/zinc/09/56/32/1067095632.db2.gz NBYFYGQLDNABNP-UHFFFAOYSA-N 0 0 453.605 4.708 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)O[C@@H](C)c3nc4cc(C(F)(F)F)ccc4n3C)c(C)c12 ZINC001458613057 1067095735 /nfs/dbraw/zinc/09/57/35/1067095735.db2.gz HGSHQSFFGGSTHW-AWEZNQCLSA-N 0 0 459.472 4.646 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)OC ZINC001545796348 1067095845 /nfs/dbraw/zinc/09/58/45/1067095845.db2.gz BSWAQQVMLJTRHC-WOJBJXKFSA-N 0 0 480.556 4.514 20 0 JJADRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001450615714 1067096075 /nfs/dbraw/zinc/09/60/75/1067096075.db2.gz GVGSHHXSVMZCCN-XLIONFOSSA-N 0 0 459.635 4.703 20 0 JJADRN COc1ccccc1SCC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450617292 1067096400 /nfs/dbraw/zinc/09/64/00/1067096400.db2.gz ZGIJRSGXMYNSMV-IIBYNOLFSA-N 0 0 450.398 4.522 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450616436 1067096418 /nfs/dbraw/zinc/09/64/18/1067096418.db2.gz YQHSGCMDUCDYLT-DVECYGJZSA-N 0 0 453.380 4.902 20 0 JJADRN O=C(c1cccc(Br)c1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450617377 1067096451 /nfs/dbraw/zinc/09/64/51/1067096451.db2.gz ZHSZZXMIRPIBEW-QAPCUYQASA-N 0 0 453.174 4.797 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCOCC2)C1)SC ZINC001545796768 1067096730 /nfs/dbraw/zinc/09/67/30/1067096730.db2.gz OOHJUTZMCJHIPT-WOJBJXKFSA-N 0 0 480.719 4.504 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCc1nccs1 ZINC001546024551 1067096743 /nfs/dbraw/zinc/09/67/43/1067096743.db2.gz JBJXCHJEVGFQFD-MRXNPFEDSA-N 0 0 459.685 4.818 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450622032 1067096845 /nfs/dbraw/zinc/09/68/45/1067096845.db2.gz BHDKPYGNDBDAMO-ZIAGYGMSSA-N 0 0 450.892 4.903 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1)SC ZINC001545796790 1067097053 /nfs/dbraw/zinc/09/70/53/1067097053.db2.gz PPVNVIXPEXCYAT-GUDVDZBRSA-N 0 0 452.709 4.980 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001450624716 1067097061 /nfs/dbraw/zinc/09/70/61/1067097061.db2.gz PTEAXZDWLILECX-BJKOFHAPSA-N 0 0 457.555 4.529 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458619918 1067097125 /nfs/dbraw/zinc/09/71/25/1067097125.db2.gz FFILPNIFRJMXJR-ZDUSSCGKSA-N 0 0 458.183 4.872 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001450625800 1067097143 /nfs/dbraw/zinc/09/71/43/1067097143.db2.gz RMBLELCGLOTHPE-BJKOFHAPSA-N 0 0 454.364 4.599 20 0 JJADRN CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC001450624756 1067097262 /nfs/dbraw/zinc/09/72/62/1067097262.db2.gz KLLWWRITLLLBAZ-UHFFFAOYSA-N 0 0 458.967 4.961 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1)OC ZINC001545797909 1067097443 /nfs/dbraw/zinc/09/74/43/1067097443.db2.gz BXMQWWWDTOVNIQ-KRWDZBQOSA-N 0 0 485.492 4.819 20 0 JJADRN O=C(Nc1ccc(C(=O)NCCCc2cccs2)c(O)c1)c1cccc(Br)c1 ZINC001545797126 1067097485 /nfs/dbraw/zinc/09/74/85/1067097485.db2.gz ACQCQLNXQBVFGC-UHFFFAOYSA-N 0 0 459.365 4.831 20 0 JJADRN CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001458623464 1067097668 /nfs/dbraw/zinc/09/76/68/1067097668.db2.gz NICJDFOCGLCEFS-OLZOCXBDSA-N 0 0 455.399 4.585 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1)OC ZINC001545797862 1067097642 /nfs/dbraw/zinc/09/76/42/1067097642.db2.gz BCOMCEAQEGYYTH-GOEBONIOSA-N 0 0 471.465 4.836 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(CO)CC1)OC ZINC001545797948 1067097852 /nfs/dbraw/zinc/09/78/52/1067097852.db2.gz CJYWZCJGBUDOBS-VWLOTQADSA-N 0 0 465.642 4.852 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC001458625991 1067097943 /nfs/dbraw/zinc/09/79/43/1067097943.db2.gz NBUVUKZNNIYXSS-UHFFFAOYSA-N 0 0 459.413 4.848 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001458626325 1067098077 /nfs/dbraw/zinc/09/80/77/1067098077.db2.gz VFVLECPMOAVFSZ-UHFFFAOYSA-N 0 0 457.477 4.765 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)N(OC)[C@H](C)c4ccccc4C)cc3C2=O)cc1 ZINC001450638797 1067098094 /nfs/dbraw/zinc/09/80/94/1067098094.db2.gz KFRRVSHQVQAIGJ-GOSISDBHSA-N 0 0 458.514 4.959 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCCC[C@@H]2c2ccccc2)cc1 ZINC001458625232 1067098113 /nfs/dbraw/zinc/09/81/13/1067098113.db2.gz GACYYNCJHACPCP-JOCHJYFZSA-N 0 0 454.592 4.679 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1)OC ZINC001545797975 1067098286 /nfs/dbraw/zinc/09/82/86/1067098286.db2.gz CTFBUAJSOXBVFP-VXKWHMMOSA-N 0 0 452.603 4.862 20 0 JJADRN C[C@H](NC(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c2ccccc21 ZINC001450644586 1067098459 /nfs/dbraw/zinc/09/84/59/1067098459.db2.gz GXMSKWUKMJBJTC-IVCQMTBJSA-N 0 0 455.530 4.702 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C)OC ZINC001545798192 1067098669 /nfs/dbraw/zinc/09/86/69/1067098669.db2.gz HEHUQBUBTOYRCK-YWZLYKJASA-N 0 0 483.426 4.913 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)c2ccccn2)CCO1 ZINC001546102462 1067098749 /nfs/dbraw/zinc/09/87/49/1067098749.db2.gz YMRMNUNUCCLRGR-SANMLTNESA-N 0 0 481.666 4.957 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1)OC ZINC001545798215 1067098754 /nfs/dbraw/zinc/09/87/54/1067098754.db2.gz HMGMPSUJHQYZQN-RUZDIDTESA-N 0 0 462.642 4.816 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c2ccccc21 ZINC001450647033 1067099134 /nfs/dbraw/zinc/09/91/34/1067099134.db2.gz MJRIJGHQGNOTIM-VLIAUNLRSA-N 0 0 455.327 4.972 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1)OC ZINC001545798246 1067099045 /nfs/dbraw/zinc/09/90/45/1067099045.db2.gz IAJSJDXGSGAJDR-NZQKXSOJSA-N 0 0 472.630 4.766 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1ncc(CCO)s1 ZINC001450656332 1067099292 /nfs/dbraw/zinc/09/92/92/1067099292.db2.gz KEXBFDWTUILCIS-UHFFFAOYSA-N 0 0 458.531 4.577 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@H](C4CC4)C3)cc2)cc1 ZINC001450659194 1067099429 /nfs/dbraw/zinc/09/94/29/1067099429.db2.gz ONHIAGYRNXIVPP-QFIPXVFZSA-N 0 0 454.636 4.725 20 0 JJADRN O=C(NCC(F)(F)c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001450658379 1067099498 /nfs/dbraw/zinc/09/94/98/1067099498.db2.gz SGUWLDXXUWLABW-UHFFFAOYSA-N 0 0 450.894 4.663 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC001450661045 1067099514 /nfs/dbraw/zinc/09/95/14/1067099514.db2.gz KYXRSJHFWOHMBH-ZHGROJFQSA-N 0 0 454.570 4.530 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCC1)c1[nH]nc(C2CC2)c1Br ZINC001450665974 1067099774 /nfs/dbraw/zinc/09/97/74/1067099774.db2.gz BYLXDNDQTFNTDQ-UHFFFAOYSA-N 0 0 453.178 4.664 20 0 JJADRN COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1C ZINC001458647735 1067099974 /nfs/dbraw/zinc/09/99/74/1067099974.db2.gz KYFDDGFESQPSHD-UHFFFAOYSA-N 0 0 455.363 4.641 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC(c2cnn(C)c2)CC1)OC ZINC001545798395 1067100034 /nfs/dbraw/zinc/10/00/34/1067100034.db2.gz KIGKUQRITAUHCF-JOCHJYFZSA-N 0 0 454.619 4.805 20 0 JJADRN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1C ZINC001458644722 1067100102 /nfs/dbraw/zinc/10/01/02/1067100102.db2.gz HGXSHUFEINAPEP-UHFFFAOYSA-N 0 0 458.942 4.981 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C1 ZINC001458650316 1067100601 /nfs/dbraw/zinc/10/06/01/1067100601.db2.gz FLDLDJBFZUEBLV-WBVHZDCISA-N 0 0 459.949 4.955 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@@H]1C)OC ZINC001545798457 1067100702 /nfs/dbraw/zinc/10/07/02/1067100702.db2.gz LIORSALQWQSBRK-GHTZIAJQSA-N 0 0 487.714 4.784 20 0 JJADRN Cc1ccc([C@H](CC(F)(F)F)NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001458652829 1067100782 /nfs/dbraw/zinc/10/07/82/1067100782.db2.gz IFXQIUAIXWIZBQ-FQEVSTJZSA-N 0 0 457.514 4.758 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)Nc3ccccc3OCC(=O)Nc3cccnc3)ccc2c1 ZINC001458652051 1067100806 /nfs/dbraw/zinc/10/08/06/1067100806.db2.gz PREXMWFQWBNWBV-UKTHLTGXSA-N 0 0 453.498 4.913 20 0 JJADRN COC(=O)c1ccc2[nH]c(CNC(=O)[C@H](Oc3cccc(C(C)C)c3)c3ccccc3)nc2c1 ZINC001450670767 1067101321 /nfs/dbraw/zinc/10/13/21/1067101321.db2.gz YGOZXWXNKBOEBS-RUZDIDTESA-N 0 0 457.530 4.909 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)C1(C)C ZINC001450670143 1067101380 /nfs/dbraw/zinc/10/13/80/1067101380.db2.gz IFZVXBXLQFJABF-VQIMIIECSA-N 0 0 459.587 4.714 20 0 JJADRN Cn1c2cc(O)c(NC(=O)c3ccc(Oc4ccc(Cl)cc4Cl)cc3)cc2n(C)c1=O ZINC001450674251 1067101411 /nfs/dbraw/zinc/10/14/11/1067101411.db2.gz RPSVTLSMAIWOAS-UHFFFAOYSA-N 0 0 458.301 4.934 20 0 JJADRN O=C(C[C@H]1CCCC(=O)N1)Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCC2 ZINC001458658636 1067101935 /nfs/dbraw/zinc/10/19/35/1067101935.db2.gz NXKYBJKMHITEEB-GFCCVEGCSA-N 0 0 451.375 4.772 20 0 JJADRN Nc1c(Br)cc(F)cc1C(=O)NCC1(c2ccccc2Br)CCC1 ZINC001450674360 1067102040 /nfs/dbraw/zinc/10/20/40/1067102040.db2.gz RWISMHUSBIMEQM-UHFFFAOYSA-N 0 0 456.153 4.785 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)OC)C1)OC ZINC001545798689 1067101972 /nfs/dbraw/zinc/10/19/72/1067101972.db2.gz PNFZOWJKJGNZNS-VQTJNVASSA-N 0 0 454.571 4.532 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)OC ZINC001545798860 1067102540 /nfs/dbraw/zinc/10/25/40/1067102540.db2.gz SKLCUSNZSNFJJW-KGVIQGDOSA-N 0 0 494.727 4.520 20 0 JJADRN COC(=O)c1ccccc1N(C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)C1CCC1 ZINC001458660627 1067102528 /nfs/dbraw/zinc/10/25/28/1067102528.db2.gz APLLHSDJSFPLQK-UHFFFAOYSA-N 0 0 450.535 4.970 20 0 JJADRN CC(C)c1c(C(=O)NCc2nc3cc(Br)ccc3o2)cnn1-c1ccc(F)cc1 ZINC001450685189 1067102709 /nfs/dbraw/zinc/10/27/09/1067102709.db2.gz AIVSKAVRUMEWHS-UHFFFAOYSA-N 0 0 457.303 4.969 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1ccc(F)c(C)c1 ZINC001458662049 1067103003 /nfs/dbraw/zinc/10/30/03/1067103003.db2.gz CQPMHBQCHWQHEJ-HXUWFJFHSA-N 0 0 451.922 4.865 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(OC)c(OC)c1 ZINC001458661498 1067103095 /nfs/dbraw/zinc/10/30/95/1067103095.db2.gz DZDQWJGKPXBWAU-IBGZPJMESA-N 0 0 458.624 4.634 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450689369 1067103211 /nfs/dbraw/zinc/10/32/11/1067103211.db2.gz IUSSKZMMQJKXIU-GOSISDBHSA-N 0 0 459.612 4.750 20 0 JJADRN Fc1cc2ncnc(N3CC(Cc4cccc(Br)c4)C3)c2cc1Br ZINC001458664329 1067103907 /nfs/dbraw/zinc/10/39/07/1067103907.db2.gz IYNOGURCEXCZEV-UHFFFAOYSA-N 0 0 451.137 4.973 20 0 JJADRN Cc1cc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1-c1ccc(C)cc1 ZINC001450692692 1067104097 /nfs/dbraw/zinc/10/40/97/1067104097.db2.gz NCZZFINHJLFRIA-OAQYLSRUSA-N 0 0 452.599 4.598 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001545799147 1067104306 /nfs/dbraw/zinc/10/43/06/1067104306.db2.gz XVFJXCKONIUZSP-HSZRJFAPSA-N 0 0 484.595 4.786 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@H]1C)OC ZINC001545799188 1067104320 /nfs/dbraw/zinc/10/43/20/1067104320.db2.gz YTSRFWFEUJURSA-RDTXWAMCSA-N 0 0 470.481 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)C1 ZINC001450695002 1067104318 /nfs/dbraw/zinc/10/43/18/1067104318.db2.gz UFTNPIQRXVVBIE-INIZCTEOSA-N 0 0 457.398 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)C1 ZINC001450693929 1067104415 /nfs/dbraw/zinc/10/44/15/1067104415.db2.gz QSOBVAMVVHMPTO-HXUWFJFHSA-N 0 0 451.567 4.983 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2nc3cc(Br)ccc3o2)c1 ZINC001450694662 1067104510 /nfs/dbraw/zinc/10/45/10/1067104510.db2.gz SJQRNQUGOAZUNE-UHFFFAOYSA-N 0 0 450.720 4.768 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1)OC ZINC001545799208 1067104902 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454.567 4.903 20 0 JJADRN COc1ccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1OC(C)C ZINC001458672967 1067106408 /nfs/dbraw/zinc/10/64/08/1067106408.db2.gz WQRXZFOTDBJEOP-RTBURBONSA-N 0 0 454.567 4.903 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1csc(C)n1)OC ZINC001545800454 1067106690 /nfs/dbraw/zinc/10/66/90/1067106690.db2.gz GWKONCLEYLXWEN-NHCUHLMSSA-N 0 0 455.632 4.683 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1)OC ZINC001545800458 1067106705 /nfs/dbraw/zinc/10/67/05/1067106705.db2.gz GXRPFMXNDQOTTL-RDPSFJRHSA-N 0 0 491.627 4.618 20 0 JJADRN CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001458676075 1067107007 /nfs/dbraw/zinc/10/70/07/1067107007.db2.gz NIFUPTDYCHKFMD-INIZCTEOSA-N 0 0 454.876 4.677 20 0 JJADRN CC(C)O[C@@H]1C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001458675317 1067107017 /nfs/dbraw/zinc/10/70/17/1067107017.db2.gz WVASYXGHMLYSME-KZNAEPCWSA-N 0 0 458.521 4.980 20 0 JJADRN CC(C)O[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001458675324 1067107024 /nfs/dbraw/zinc/10/70/24/1067107024.db2.gz WVASYXGHMLYSME-RCCFBDPRSA-N 0 0 458.521 4.980 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1)OC ZINC001545800517 1067107526 /nfs/dbraw/zinc/10/75/26/1067107526.db2.gz HWKDWZSAIBSXQA-QGZVFWFLSA-N 0 0 454.541 4.622 20 0 JJADRN CC(C)Oc1ccc2ccccc2c1CNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC001458680605 1067107656 /nfs/dbraw/zinc/10/76/56/1067107656.db2.gz FBPGTADUMSEFMC-UHFFFAOYSA-N 0 0 456.546 4.782 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1)OC ZINC001545800832 1067107975 /nfs/dbraw/zinc/10/79/75/1067107975.db2.gz NDIPKTDOESZEKS-NRFANRHFSA-N 0 0 475.707 4.654 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450707195 1067108027 /nfs/dbraw/zinc/10/80/27/1067108027.db2.gz RFTDLEKTNKUKHP-QHCPKHFHSA-N 0 0 452.542 4.815 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)c1ccc(OCc2cccnc2)cc1 ZINC001450707837 1067108770 /nfs/dbraw/zinc/10/87/70/1067108770.db2.gz MZVCXAHYFJEAGT-QHCPKHFHSA-N 0 0 451.567 4.714 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1Cl ZINC001458687535 1067109412 /nfs/dbraw/zinc/10/94/12/1067109412.db2.gz OVNWBYVXZMNGEN-LJQANCHMSA-N 0 0 452.313 4.698 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)[C@H](C)C2CC2)c(OC)c1 ZINC001450715840 1067109556 /nfs/dbraw/zinc/10/95/56/1067109556.db2.gz PZEFUKIXPPIZOZ-GOSISDBHSA-N 0 0 459.546 4.792 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)OC ZINC001545801571 1067109851 /nfs/dbraw/zinc/10/98/51/1067109851.db2.gz YNFICZFTPCPCJC-UGKGYDQZSA-N 0 0 491.474 4.949 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1Cl ZINC001458689756 1067110058 /nfs/dbraw/zinc/11/00/58/1067110058.db2.gz UKKYEEDRENWWGD-YEJXKQKISA-N 0 0 459.370 4.604 20 0 JJADRN 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ZINC001458691767 1067110743 /nfs/dbraw/zinc/11/07/43/1067110743.db2.gz QYKLYKJDZCHQPU-DEOSSOPVSA-N 0 0 454.530 4.531 20 0 JJADRN O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001450728006 1067111478 /nfs/dbraw/zinc/11/14/78/1067111478.db2.gz BZLXPROMTWPADF-GOTSBHOMSA-N 0 0 459.464 4.558 20 0 JJADRN Cc1cc(-c2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)c3c(C)noc3n2)c(C)o1 ZINC001450729163 1067111504 /nfs/dbraw/zinc/11/15/04/1067111504.db2.gz DEBBHILMUQDALW-LJQANCHMSA-N 0 0 459.424 4.890 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001450725886 1067111563 /nfs/dbraw/zinc/11/15/63/1067111563.db2.gz IXNAETRVQPMJSQ-CYBMUJFWSA-N 0 0 455.755 4.910 20 0 JJADRN CC1(Nc2nc(CC(=O)Nc3cc(F)c(Cl)cc3N3CCOCC3)cs2)CCCC1 ZINC001450729110 1067111597 /nfs/dbraw/zinc/11/15/97/1067111597.db2.gz MQZMZSBKAFNMPN-UHFFFAOYSA-N 0 0 452.983 4.698 20 0 JJADRN CC(C)OCc1cc(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)ccc1O ZINC001450737849 1067113513 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473.637 4.518 20 0 JJADRN C[C@@]1(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)CCO[C@H]1C1CC1 ZINC001458720318 1067116157 /nfs/dbraw/zinc/11/61/57/1067116157.db2.gz JQABSEGZWQTWNH-WMZOPIPTSA-N 0 0 457.162 4.893 20 0 JJADRN O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450749815 1067116300 /nfs/dbraw/zinc/11/63/00/1067116300.db2.gz WHZDZCMKMCWBHP-AWEZNQCLSA-N 0 0 454.754 4.866 20 0 JJADRN Cc1cccc2c1OC[C@H](NC(=O)c1ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n1C)C2 ZINC001450749892 1067116341 /nfs/dbraw/zinc/11/63/41/1067116341.db2.gz UFWPMMSZBSUKFF-TZIWHRDSSA-N 0 0 453.583 4.529 20 0 JJADRN CC[C@@H](CNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001450751361 1067116396 /nfs/dbraw/zinc/11/63/96/1067116396.db2.gz HMYNIKRQADGSKQ-UXHICEINSA-N 0 0 450.579 4.579 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 ZINC001450755168 1067117028 /nfs/dbraw/zinc/11/70/28/1067117028.db2.gz VFGUEHCQQLDIPF-UHFFFAOYSA-N 0 0 450.417 4.761 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001450754990 1067117049 /nfs/dbraw/zinc/11/70/49/1067117049.db2.gz SHAOZQMZMCTCGA-UHFFFAOYSA-N 0 0 456.424 4.730 20 0 JJADRN C[C@H](CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)S(C)(=O)=O ZINC001458724716 1067118305 /nfs/dbraw/zinc/11/83/05/1067118305.db2.gz DGUGZZSIYJAPMK-CYBMUJFWSA-N 0 0 456.420 4.825 20 0 JJADRN Cc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)N=C2SCC(=O)c2cnnn2C)cc1 ZINC001458724436 1067118311 /nfs/dbraw/zinc/11/83/11/1067118311.db2.gz DTXODMUWMPSZNK-BKUYFWCQSA-N 0 0 459.575 4.607 20 0 JJADRN COc1ccc(/C=C2/N=C(SCCc3ccns3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458724585 1067118322 /nfs/dbraw/zinc/11/83/22/1067118322.db2.gz HKMYBBNIYBPGII-KGENOOAVSA-N 0 0 451.573 4.880 20 0 JJADRN CC[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC001458724940 1067118343 /nfs/dbraw/zinc/11/83/43/1067118343.db2.gz FOBQYWOLRBCBRZ-FQEVSTJZSA-N 0 0 453.564 4.935 20 0 JJADRN 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CC[C@]1(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)OCCc2ccccc21 ZINC001450776967 1067119870 /nfs/dbraw/zinc/11/98/70/1067119870.db2.gz BSNLYZGBDFOZJL-LEAFIULHSA-N 0 0 458.558 4.649 20 0 JJADRN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)no1 ZINC001450777648 1067119889 /nfs/dbraw/zinc/11/98/89/1067119889.db2.gz YDQICIIYBAGHDB-OAHLLOKOSA-N 0 0 451.552 4.654 20 0 JJADRN COc1cc(Br)ccc1OC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001450782046 1067120264 /nfs/dbraw/zinc/12/02/64/1067120264.db2.gz PQJDHLCKAYMSFV-CQSZACIVSA-N 0 0 458.349 4.515 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC001458729044 1067120924 /nfs/dbraw/zinc/12/09/24/1067120924.db2.gz VQXSAPJQYQXFIP-LPTQZCDUSA-N 0 0 455.380 4.571 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001458728731 1067121005 /nfs/dbraw/zinc/12/10/05/1067121005.db2.gz UMURLGZQFVVTPM-FNZWTVRRSA-N 0 0 458.558 4.847 20 0 JJADRN Cc1cc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)nn1-c1ccc(F)cc1F ZINC001450792030 1067121906 /nfs/dbraw/zinc/12/19/06/1067121906.db2.gz TWXNXKILTRYJJD-UHFFFAOYSA-N 0 0 458.266 4.864 20 0 JJADRN COc1ccc(C)cc1-n1c2nnc(SCCC(F)(F)Cl)n2c2ccccc2c1=O ZINC001458730107 1067122242 /nfs/dbraw/zinc/12/22/42/1067122242.db2.gz KIBWUTFJOWCVGR-UHFFFAOYSA-N 0 0 450.898 4.664 20 0 JJADRN C[C@H](CCOCc1ccccc1)NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 ZINC001450794795 1067122608 /nfs/dbraw/zinc/12/26/08/1067122608.db2.gz NQYWTCJVFCHETP-LJQANCHMSA-N 0 0 454.567 4.541 20 0 JJADRN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O ZINC001458731344 1067122829 /nfs/dbraw/zinc/12/28/29/1067122829.db2.gz FTFKTFYBKMNVJB-LCIZUOBNSA-N 0 0 473.278 4.943 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc2cccc(Cl)c2n1C ZINC001458730819 1067122935 /nfs/dbraw/zinc/12/29/35/1067122935.db2.gz NTUHIKUYESJIKN-CQSZACIVSA-N 0 0 450.764 4.823 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc2cccc(Cl)c2n1C ZINC001458730815 1067122976 /nfs/dbraw/zinc/12/29/76/1067122976.db2.gz NTUHIKUYESJIKN-AWEZNQCLSA-N 0 0 450.764 4.823 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001546026270 1067123209 /nfs/dbraw/zinc/12/32/09/1067123209.db2.gz JVIQVQGSBMVFNP-IBGZPJMESA-N 0 0 465.381 4.974 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC001458732755 1067123537 /nfs/dbraw/zinc/12/35/37/1067123537.db2.gz IWDAAOZBGALFPT-CALCHBBNSA-N 0 0 456.011 4.980 20 0 JJADRN Cc1cccnc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC001458732841 1067123622 /nfs/dbraw/zinc/12/36/22/1067123622.db2.gz WTARVOLYZCAAMY-UHFFFAOYSA-N 0 0 454.914 4.612 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cccc(CNc2ccnc(C)n2)c1)c1cccc2ccccc21 ZINC001450807715 1067124791 /nfs/dbraw/zinc/12/47/91/1067124791.db2.gz WZTKPEXVSCOTEJ-XMMPIXPASA-N 0 0 454.530 4.585 20 0 JJADRN CCc1c(NC(=O)c2cnn(-c3ccccc3C)c2C(F)F)nnn1Cc1ccc(F)cc1 ZINC001450810502 1067124884 /nfs/dbraw/zinc/12/48/84/1067124884.db2.gz GJGMAKMSUICZCB-UHFFFAOYSA-N 0 0 454.456 4.712 20 0 JJADRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1cccc(Br)c1Cl ZINC001458733662 1067124901 /nfs/dbraw/zinc/12/49/01/1067124901.db2.gz OPFGRRRBILMGKK-RDTXWAMCSA-N 0 0 450.760 4.884 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N=c1sc2ccccc2n1C)NC(=O)OC(C)(C)C ZINC001450814723 1067125074 /nfs/dbraw/zinc/12/50/74/1067125074.db2.gz YPLBIUXUFPMSLE-KRWDZBQOSA-N 0 0 455.580 4.722 20 0 JJADRN CCc1ccc(OCc2nnc(S[C@H]3CCN(C(C)C)C3=O)n2Cc2ccccc2)cc1 ZINC001458735858 1067125498 /nfs/dbraw/zinc/12/54/98/1067125498.db2.gz VTTMRDFFBUFVCH-QFIPXVFZSA-N 0 0 450.608 4.569 20 0 JJADRN Cc1c2cc(C)c(C)cc2sc1C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450821710 1067125637 /nfs/dbraw/zinc/12/56/37/1067125637.db2.gz DIZDWWLWTVZWFP-IBGZPJMESA-N 0 0 457.640 4.594 20 0 JJADRN CCCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1cnccn1 ZINC001458737016 1067126124 /nfs/dbraw/zinc/12/61/24/1067126124.db2.gz VESSFXJQCULYQH-UHFFFAOYSA-N 0 0 454.552 4.829 20 0 JJADRN COC(=O)C1(c2ccc(CSc3nnc([C@@H](C)N(C)C)n3-c3ccc(F)cc3)cc2)CC1 ZINC001458736639 1067126160 /nfs/dbraw/zinc/12/61/60/1067126160.db2.gz PPFPZBGMRYQSRS-MRXNPFEDSA-N 0 0 454.571 4.526 20 0 JJADRN C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001546103109 1067127057 /nfs/dbraw/zinc/12/70/57/1067127057.db2.gz ZZKQYFCVEVBJHB-JSGCOSHPSA-N 0 0 453.370 4.932 20 0 JJADRN CCn1c(C(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC001450830911 1067127156 /nfs/dbraw/zinc/12/71/56/1067127156.db2.gz LWDBGQNYPMNWQH-OFNKIYASSA-N 0 0 455.599 4.586 20 0 JJADRN C[C@H]1CCc2c(sc3nc(SCCCCC(=O)N(C)C)n(Cc4ccco4)c(=O)c32)C1 ZINC001458738946 1067127481 /nfs/dbraw/zinc/12/74/81/1067127481.db2.gz XHESKYOJGWGDIB-HNNXBMFYSA-N 0 0 459.637 4.575 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)C1 ZINC001546103141 1067128234 /nfs/dbraw/zinc/12/82/34/1067128234.db2.gz AWHBTZZGRVEBEF-UHFFFAOYSA-N 0 0 464.614 4.639 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450834194 1067128346 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PCRIPCSRZIMOKN-AREMUKBSSA-N 0 0 451.567 4.644 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001458742673 1067128833 /nfs/dbraw/zinc/12/88/33/1067128833.db2.gz YZLGETZPLVKYGW-HNAYVOBHSA-N 0 0 456.514 4.870 20 0 JJADRN C[C@@H](Oc1ccccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1)C(F)(F)F ZINC001450836412 1067128874 /nfs/dbraw/zinc/12/88/74/1067128874.db2.gz QZTAFRZMIXFALL-GFCCVEGCSA-N 0 0 456.877 4.981 20 0 JJADRN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Cl)c(Br)c2)C1=O ZINC001458742400 1067128938 /nfs/dbraw/zinc/12/89/38/1067128938.db2.gz QSBFPMYBZIINPP-SFHVURJKSA-N 0 0 459.674 4.671 20 0 JJADRN Cc1ccc2occ(CC(=O)N3CCC([C@H]4OCCC[C@H]4NC(=O)OC(C)(C)C)CC3)c2c1 ZINC001450838359 1067129637 /nfs/dbraw/zinc/12/96/37/1067129637.db2.gz YFXYYKMMWTWJQM-ZJSXRUAMSA-N 0 0 456.583 4.595 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(OC(C)C)CC1 ZINC001546026734 1067130193 /nfs/dbraw/zinc/13/01/93/1067130193.db2.gz ZGGKLSHPCBDHCL-UHFFFAOYSA-N 0 0 471.465 4.714 20 0 JJADRN CCCn1c(SCCOC(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC001458748655 1067130928 /nfs/dbraw/zinc/13/09/28/1067130928.db2.gz BVDNZQFLIINFDH-CQSZACIVSA-N 0 0 451.658 4.809 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H]3C[C@H]4C=C[C@@H]3C4)n2CC(C)C)c1 ZINC001458749186 1067130972 /nfs/dbraw/zinc/13/09/72/1067130972.db2.gz NYTFLGLXPJXQST-QKNQBKEWSA-N 0 0 474.696 4.936 20 0 JJADRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ncc(Br)cn1 ZINC001458752340 1067131573 /nfs/dbraw/zinc/13/15/73/1067131573.db2.gz OYRRAZFFUXXDGC-OAHLLOKOSA-N 0 0 459.417 4.659 20 0 JJADRN C[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450849053 1067131602 /nfs/dbraw/zinc/13/16/02/1067131602.db2.gz MOTHHBSVGHFYHJ-DZGCQCFKSA-N 0 0 450.377 4.553 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001450846712 1067131729 /nfs/dbraw/zinc/13/17/29/1067131729.db2.gz XFLXYJWKTCIPQA-UKRRQHHQSA-N 0 0 459.812 4.654 20 0 JJADRN CCc1ccc2c(c1)[C@H](NC(=O)CSc1nnc(-c3ccc(Cl)cc3)n1CC)CCO2 ZINC001458754392 1067132060 /nfs/dbraw/zinc/13/20/60/1067132060.db2.gz ZTBPMLPQMRVIAJ-LJQANCHMSA-N 0 0 456.999 4.913 20 0 JJADRN CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(C)Cc4ccc(F)cc4)n3C)cc2C1 ZINC001458753626 1067132118 /nfs/dbraw/zinc/13/21/18/1067132118.db2.gz ULLUWZQQDAKPMU-OAHLLOKOSA-N 0 0 458.628 4.948 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCCOc1cccc(C)c1 ZINC001458753602 1067132198 /nfs/dbraw/zinc/13/21/98/1067132198.db2.gz ULHMAGLAVJVDFL-UHFFFAOYSA-N 0 0 459.637 4.710 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2(CCO)CCCCC2)CC1 ZINC001450852680 1067132431 /nfs/dbraw/zinc/13/24/31/1067132431.db2.gz ZPVPZUXCDIAXCM-UBFVSLLYSA-N 0 0 456.671 4.625 20 0 JJADRN CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)NCc4ccc(F)cc4)n3C)cc2C1 ZINC001458756618 1067132898 /nfs/dbraw/zinc/13/28/98/1067132898.db2.gz YPMIHCQLCNCQJK-GJZGRUSLSA-N 0 0 458.628 4.995 20 0 JJADRN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccccc1Br ZINC001458758680 1067133496 /nfs/dbraw/zinc/13/34/96/1067133496.db2.gz MNUGDRKVYVGTEV-UHFFFAOYSA-N 0 0 450.310 4.965 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001546103293 1067133517 /nfs/dbraw/zinc/13/35/17/1067133517.db2.gz FVKLFHUTCRAZCX-ZJSXRUAMSA-N 0 0 487.664 4.931 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001546026518 1067133602 /nfs/dbraw/zinc/13/36/02/1067133602.db2.gz QNGUEXYKTQPLPJ-HXUWFJFHSA-N 0 0 462.953 4.768 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1 ZINC001450881691 1067133650 /nfs/dbraw/zinc/13/36/50/1067133650.db2.gz FAMLBWLZJNQCOY-FQEVSTJZSA-N 0 0 455.509 4.516 20 0 JJADRN CC(C)Oc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccn1 ZINC001546026867 1067133759 /nfs/dbraw/zinc/13/37/59/1067133759.db2.gz DMLWBYXIWLJBJO-SQHAQQRYSA-N 0 0 457.574 4.665 20 0 JJADRN Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3CCCCN3C(=O)C=Cc3ccc(Cl)cc3)c2C)o1 ZINC001450902156 1067134712 /nfs/dbraw/zinc/13/47/12/1067134712.db2.gz OAVWADLLINVPRQ-PMTSLALWSA-N 0 0 452.942 4.973 20 0 JJADRN Cc1ccc(C[C@@H](CO)NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1C ZINC001450904359 1067134730 /nfs/dbraw/zinc/13/47/30/1067134730.db2.gz LCGXRYOQZXQAPV-NRFANRHFSA-N 0 0 451.998 4.745 20 0 JJADRN O=C(C=Cc1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC001450910813 1067135358 /nfs/dbraw/zinc/13/53/58/1067135358.db2.gz KRUUNHDPRWSNDM-OJWOGGGRSA-N 0 0 457.361 4.580 20 0 JJADRN C[C@@H](NC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)NCCc1ccccc1 ZINC001450912415 1067136139 /nfs/dbraw/zinc/13/61/39/1067136139.db2.gz FQZCJLJHYJWSGO-OAHLLOKOSA-N 0 0 450.589 4.579 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001450941994 1067136845 /nfs/dbraw/zinc/13/68/45/1067136845.db2.gz GOYAEVDGBWVHEZ-UHFFFAOYSA-N 0 0 453.605 4.963 20 0 JJADRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1C ZINC001458770843 1067137881 /nfs/dbraw/zinc/13/78/81/1067137881.db2.gz BBLQWNGNSJWAOT-HNNXBMFYSA-N 0 0 454.596 4.875 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001450987071 1067137882 /nfs/dbraw/zinc/13/78/82/1067137882.db2.gz QXEPRPHLGMCFDR-PGRDOPGGSA-N 0 0 455.521 4.977 20 0 JJADRN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CCC1 ZINC001450983194 1067138098 /nfs/dbraw/zinc/13/80/98/1067138098.db2.gz HJAHAMPSDCYZHN-UHFFFAOYSA-N 0 0 453.505 4.825 20 0 JJADRN COc1ccccc1-c1nnc(SCC(=O)NCc2cccc(C)c2)n1-c1ccc(C)cc1 ZINC001458771672 1067138480 /nfs/dbraw/zinc/13/84/80/1067138480.db2.gz FCMLQDVFYXRWKA-UHFFFAOYSA-N 0 0 458.587 4.968 20 0 JJADRN CCOc1ccc(-n2c(SCc3cnn(CCF)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC001458771907 1067138487 /nfs/dbraw/zinc/13/84/87/1067138487.db2.gz GSBPLDUMBZLMOV-UHFFFAOYSA-N 0 0 453.543 4.800 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C1 ZINC001546103369 1067138571 /nfs/dbraw/zinc/13/85/71/1067138571.db2.gz IOVVJFMTXBEWCC-UHFFFAOYSA-N 0 0 455.990 4.828 20 0 JJADRN CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC001458772988 1067138938 /nfs/dbraw/zinc/13/89/38/1067138938.db2.gz DGSVHAOXZXAGAV-CQSZACIVSA-N 0 0 457.581 4.789 20 0 JJADRN CCCn1c(=O)n(C)c(=O)c2c(S[C@H](C)c3ccc(F)c(Cl)c3)nc(C(C)C)nc21 ZINC001458772684 1067139045 /nfs/dbraw/zinc/13/90/45/1067139045.db2.gz SLXHUFRWDKXUFT-GFCCVEGCSA-N 0 0 450.967 4.669 20 0 JJADRN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CCNC(=O)OC(C)(C)C)c1 ZINC001450996734 1067139106 /nfs/dbraw/zinc/13/91/06/1067139106.db2.gz UQTRIFMSXAJFEM-UHFFFAOYSA-N 0 0 452.530 4.584 20 0 JJADRN COc1cccc(-n2c(SCC(=O)N(C)[C@@H]3CCCC[C@H]3C)nc3ccccc3c2=O)c1 ZINC001458774685 1067139599 /nfs/dbraw/zinc/13/95/99/1067139599.db2.gz IJZOITCMNJVQMI-VGOFRKELSA-N 0 0 451.592 4.524 20 0 JJADRN CCCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3 ZINC001458774839 1067139661 /nfs/dbraw/zinc/13/96/61/1067139661.db2.gz ILBLDQPEEDJLLP-INIZCTEOSA-N 0 0 455.649 4.950 20 0 JJADRN CCn1c(SCC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nnc1-c1cccc(C)c1 ZINC001458775479 1067140647 /nfs/dbraw/zinc/14/06/47/1067140647.db2.gz KILQFLCXNBJBMM-LEWJYISDSA-N 0 0 454.571 4.541 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c(C)c1 ZINC001458776581 1067141063 /nfs/dbraw/zinc/14/10/63/1067141063.db2.gz VOOYDSZOLDZGCC-UHFFFAOYSA-N 0 0 456.942 4.934 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001546027816 1067141247 /nfs/dbraw/zinc/14/12/47/1067141247.db2.gz MFNUAHSQHNBPPV-GOSISDBHSA-N 0 0 495.462 4.519 20 0 JJADRN CC(=O)NCCCSc1nnc(-c2ccc(Br)cc2)n1-c1cc(C)cc(C)c1 ZINC001458777577 1067141794 /nfs/dbraw/zinc/14/17/94/1067141794.db2.gz QWMXVYSOWROVRW-UHFFFAOYSA-N 0 0 459.413 4.932 20 0 JJADRN Cc1c(CC(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)nnn1-c1ccccc1 ZINC001458777144 1067141886 /nfs/dbraw/zinc/14/18/86/1067141886.db2.gz WJMVFVILMZLZQJ-GOSISDBHSA-N 0 0 456.390 4.947 20 0 JJADRN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001451039730 1067141980 /nfs/dbraw/zinc/14/19/80/1067141980.db2.gz HRYDEQBNCGKHLO-LJQANCHMSA-N 0 0 452.576 4.912 20 0 JJADRN Cc1c(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccc(Br)cc1 ZINC001458780284 1067142939 /nfs/dbraw/zinc/14/29/39/1067142939.db2.gz QCOBPWYDOAZQLH-GHTZIAJQSA-N 0 0 458.331 4.732 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)[C@@]3(c4ccccc4)C[C@@H](O)C3)CC2)c1 ZINC001451049045 1067143160 /nfs/dbraw/zinc/14/31/60/1067143160.db2.gz QONXGBBUSFXAID-KICRTILUSA-N 0 0 450.579 4.832 20 0 JJADRN COC(=O)c1ccccc1CC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001451049063 1067143184 /nfs/dbraw/zinc/14/31/84/1067143184.db2.gz QTMPMKLNFDWBLN-UHFFFAOYSA-N 0 0 452.551 4.769 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1c[nH]nc1-c1ccccc1 ZINC001451049048 1067143275 /nfs/dbraw/zinc/14/32/75/1067143275.db2.gz QWVVCDLRDSXTNJ-UHFFFAOYSA-N 0 0 456.731 4.990 20 0 JJADRN CCc1ccc(OCc2nnc(SC[C@H]3CCN(C)C3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC001458780611 1067143535 /nfs/dbraw/zinc/14/35/35/1067143535.db2.gz IQQAEAKNRSOGOO-GHTZIAJQSA-N 0 0 450.608 4.599 20 0 JJADRN CCc1ccc(OCc2nnc(SC[C@@H]3CCN(C)C3=O)n2[C@H](C)c2ccccc2)cc1 ZINC001458780618 1067143553 /nfs/dbraw/zinc/14/35/53/1067143553.db2.gz IQQAEAKNRSOGOO-NQIIRXRSSA-N 0 0 450.608 4.599 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1csc(NC2CC2)n1 ZINC001451051310 1067143978 /nfs/dbraw/zinc/14/39/78/1067143978.db2.gz TYIRMELGURKASL-UHFFFAOYSA-N 0 0 452.765 4.630 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccc(Cl)nc1 ZINC001458781567 1067144196 /nfs/dbraw/zinc/14/41/96/1067144196.db2.gz VCOLVHGXJQIOIH-UHFFFAOYSA-N 0 0 453.930 4.912 20 0 JJADRN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCc1cccc(COCC(F)(F)F)c1 ZINC001546028234 1067144653 /nfs/dbraw/zinc/14/46/53/1067144653.db2.gz BAWQCABTFLGWSK-QGZVFWFLSA-N 0 0 458.889 4.538 20 0 JJADRN CCOC(=O)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC001458782517 1067144694 /nfs/dbraw/zinc/14/46/94/1067144694.db2.gz WTHNYVYWQZFHBR-UHFFFAOYSA-N 0 0 458.539 4.846 20 0 JJADRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001458781968 1067144745 /nfs/dbraw/zinc/14/47/45/1067144745.db2.gz STRJJHLRGZVQJD-GIWBLDEGSA-N 0 0 451.460 4.830 20 0 JJADRN Cn1cc(Br)c(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 ZINC001458782616 1067144763 /nfs/dbraw/zinc/14/47/63/1067144763.db2.gz YHDXHPSKAWDVSV-UHFFFAOYSA-N 0 0 458.360 4.921 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001458781981 1067144770 /nfs/dbraw/zinc/14/47/70/1067144770.db2.gz STRJJHLRGZVQJD-XPNTWCBSSA-N 0 0 451.460 4.830 20 0 JJADRN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21)[C@@H](O)C(F)(F)F ZINC001451076982 1067145121 /nfs/dbraw/zinc/14/51/21/1067145121.db2.gz BHODMXKJMDEZPB-BBATYDOGSA-N 0 0 453.258 4.706 20 0 JJADRN CCOc1ccc(-n2c(SC[C@H]3CCCC[C@H]3C(=O)OC)nnc2-c2ccncc2)cc1 ZINC001458784951 1067145913 /nfs/dbraw/zinc/14/59/13/1067145913.db2.gz STHPXKVAHBLMGT-WIYYLYMNSA-N 0 0 452.580 4.800 20 0 JJADRN Cc1cccc(-n2c3ccccc3nc2SCC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC001458784528 1067146044 /nfs/dbraw/zinc/14/60/44/1067146044.db2.gz WXYDVLRSKODYIM-UHFFFAOYSA-N 0 0 451.573 4.680 20 0 JJADRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(I)c(Cl)c1 ZINC001458786397 1067146523 /nfs/dbraw/zinc/14/65/23/1067146523.db2.gz YQDDSJCFBZGKKX-WMLDXEAASA-N 0 0 459.686 4.734 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C1CCCCCC1 ZINC001458787281 1067147230 /nfs/dbraw/zinc/14/72/30/1067147230.db2.gz DTLJAVBVJFGTFN-QAPCUYQASA-N 0 0 453.396 4.916 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCOCC2)C1 ZINC001546103729 1067147306 /nfs/dbraw/zinc/14/73/06/1067147306.db2.gz UXSKKTVKZPBDSR-HXUWFJFHSA-N 0 0 473.637 4.685 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001546103745 1067147380 /nfs/dbraw/zinc/14/73/80/1067147380.db2.gz VHPALZCWRXZBTP-RBBKRZOGSA-N 0 0 453.631 4.715 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccccc1 ZINC001546028657 1067147575 /nfs/dbraw/zinc/14/75/75/1067147575.db2.gz KPABMVDGOAQOKA-IBGZPJMESA-N 0 0 452.473 4.648 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451110402 1067147591 /nfs/dbraw/zinc/14/75/91/1067147591.db2.gz NVGSRLZLNRBBEG-VFHOHQAYSA-N 0 0 462.540 4.958 20 0 JJADRN C[C@H](NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C1CCCCCC1 ZINC001458788958 1067147837 /nfs/dbraw/zinc/14/78/37/1067147837.db2.gz OFVRHPFRVLPAOF-INIZCTEOSA-N 0 0 455.580 4.630 20 0 JJADRN CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCCN1C(=O)CNC1=O ZINC001458790278 1067147923 /nfs/dbraw/zinc/14/79/23/1067147923.db2.gz FGAVZROIIBHCDL-UHFFFAOYSA-N 0 0 454.983 4.960 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001451125733 1067148031 /nfs/dbraw/zinc/14/80/31/1067148031.db2.gz CWUYRAKSZBERHK-PWRODBHTSA-N 0 0 450.583 4.615 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001546103813 1067148050 /nfs/dbraw/zinc/14/80/50/1067148050.db2.gz XQAQHWFLYZUUBG-WOJBJXKFSA-N 0 0 476.065 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(=O)c3ccc(F)cc3o2)C1 ZINC001451124072 1067148162 /nfs/dbraw/zinc/14/81/62/1067148162.db2.gz OZGGNSGJACEUPH-VQIMIIECSA-N 0 0 458.530 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C[C@@H]2C1 ZINC001451131748 1067148773 /nfs/dbraw/zinc/14/87/73/1067148773.db2.gz IMGIUCCBPVHPPD-FCEWJHQRSA-N 0 0 452.517 4.889 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001458795237 1067149198 /nfs/dbraw/zinc/14/91/98/1067149198.db2.gz ABJVOCHBBFUQME-VIFPVBQESA-N 0 0 451.169 4.902 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001458795229 1067149323 /nfs/dbraw/zinc/14/93/23/1067149323.db2.gz ABJVOCHBBFUQME-SECBINFHSA-N 0 0 451.169 4.902 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451139048 1067149309 /nfs/dbraw/zinc/14/93/09/1067149309.db2.gz NGACKVYBGIBVSB-BRWVUGGUSA-N 0 0 451.405 4.831 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC001458794722 1067149377 /nfs/dbraw/zinc/14/93/77/1067149377.db2.gz RLAAZBUOUAWHIH-LBPRGKRZSA-N 0 0 456.549 4.884 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C ZINC001546028523 1067150021 /nfs/dbraw/zinc/15/00/21/1067150021.db2.gz IIBRYOSOMDXLMM-FUHWJXTLSA-N 0 0 455.437 4.931 20 0 JJADRN Cc1ccc(-c2nnc(SCC(=O)N=c3sccn3Cc3ccccc3Cl)o2)cc1 ZINC001458795847 1067150009 /nfs/dbraw/zinc/15/00/09/1067150009.db2.gz JTLXXMWZZQBJLV-UHFFFAOYSA-N 0 0 456.980 4.829 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C ZINC001546028525 1067150080 /nfs/dbraw/zinc/15/00/80/1067150080.db2.gz IIBRYOSOMDXLMM-WMZOPIPTSA-N 0 0 455.437 4.931 20 0 JJADRN O=C(c1cc(Br)cc2cccnc21)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451151960 1067150617 /nfs/dbraw/zinc/15/06/17/1067150617.db2.gz BIYZYKBLKUATFJ-MRXNPFEDSA-N 0 0 457.290 4.819 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)o2)cc1 ZINC001451150840 1067150624 /nfs/dbraw/zinc/15/06/24/1067150624.db2.gz YXUCFSZMUBZHJA-NJDAHSKKSA-N 0 0 452.551 4.915 20 0 JJADRN CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)c1ccc(Cl)cc1F ZINC001458809466 1067151345 /nfs/dbraw/zinc/15/13/45/1067151345.db2.gz KSYTZPKYOLBCDV-HXUWFJFHSA-N 0 0 458.958 4.774 20 0 JJADRN O=C(Nc1ccccc1OC(F)F)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001451164325 1067151324 /nfs/dbraw/zinc/15/13/24/1067151324.db2.gz HNECXPFFXBHWJQ-UHFFFAOYSA-N 0 0 452.866 4.995 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001451165444 1067151383 /nfs/dbraw/zinc/15/13/83/1067151383.db2.gz AMFRLXXSZFMDRL-DJCPXJLLSA-N 0 0 456.627 4.976 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c2ccncc2)c1 ZINC001458812337 1067151964 /nfs/dbraw/zinc/15/19/64/1067151964.db2.gz GABHCVCJSWINMZ-NRFANRHFSA-N 0 0 454.408 4.636 20 0 JJADRN CCON(CC1CCCCC1)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC001451168933 1067152039 /nfs/dbraw/zinc/15/20/39/1067152039.db2.gz PWMDESTUNJSDPX-UHFFFAOYSA-N 0 0 450.645 4.698 20 0 JJADRN COCCN(C(=O)CSc1ccc2c3c(cccc31)CC2)c1cccc(Br)n1 ZINC001458813910 1067152491 /nfs/dbraw/zinc/15/24/91/1067152491.db2.gz IATVBWCEUHENRC-UHFFFAOYSA-N 0 0 457.393 4.868 20 0 JJADRN CCOc1ccc2ccccc2c1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC001458814006 1067153165 /nfs/dbraw/zinc/15/31/65/1067153165.db2.gz NIEFTQKLEWWCMV-UHFFFAOYSA-N 0 0 452.352 4.930 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1OCC(=O)NC(C)C ZINC001458814321 1067153201 /nfs/dbraw/zinc/15/32/01/1067153201.db2.gz UHIRYVRMLZMJCG-JOCHJYFZSA-N 0 0 450.938 4.518 20 0 JJADRN Cn1cnc(-c2ccc(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)cc2)n1 ZINC001458814014 1067153204 /nfs/dbraw/zinc/15/32/04/1067153204.db2.gz JBKGPILYPNHOLC-UHFFFAOYSA-N 0 0 450.296 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c2ccccc21 ZINC001451196393 1067153325 /nfs/dbraw/zinc/15/33/25/1067153325.db2.gz RXFUBAPWQINBPW-QPJICYPMSA-N 0 0 472.607 4.756 20 0 JJADRN Cc1[nH]nc(C(=O)N(CCCCc2ccccc2)c2ccccc2)c1I ZINC001451196253 1067153342 /nfs/dbraw/zinc/15/33/42/1067153342.db2.gz XKMXAQMNVCQSLW-UHFFFAOYSA-N 0 0 459.331 4.992 20 0 JJADRN O=C([C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N(CCCCc1ccccc1)c1ccccc1 ZINC001451194764 1067153381 /nfs/dbraw/zinc/15/33/81/1067153381.db2.gz UIBCUBPPOVIOJW-ILBGXUMGSA-N 0 0 457.492 4.854 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c2ccncc2)c1 ZINC001458817044 1067153719 /nfs/dbraw/zinc/15/37/19/1067153719.db2.gz MMCUSJUOELOBNA-VWLOTQADSA-N 0 0 458.518 4.713 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1NC(=O)Nc1ccccc1 ZINC001451199735 1067153878 /nfs/dbraw/zinc/15/38/78/1067153878.db2.gz WMAQQYQTHGZOGV-CTNGQTDRSA-N 0 0 451.548 4.704 20 0 JJADRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc(Br)cc(C(F)(F)F)c2)[C@@H]1O ZINC001451199739 1067153907 /nfs/dbraw/zinc/15/39/07/1067153907.db2.gz WOPMFHARMXDOCH-OCCSQVGLSA-N 0 0 450.276 4.532 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC001458817895 1067154321 /nfs/dbraw/zinc/15/43/21/1067154321.db2.gz KPUQWQWGGSWXDY-RUZDIDTESA-N 0 0 459.590 4.728 20 0 JJADRN COc1cccc([C@H](OC(=O)c2ccc(C)c(I)c2)c2ccncc2)c1 ZINC001458817147 1067154362 /nfs/dbraw/zinc/15/43/62/1067154362.db2.gz MYVDRNXQDCBQAY-HXUWFJFHSA-N 0 0 459.283 4.950 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001546029564 1067154575 /nfs/dbraw/zinc/15/45/75/1067154575.db2.gz JAKBMHBENTWNDF-UHFFFAOYSA-N 0 0 491.423 4.641 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001458818623 1067154730 /nfs/dbraw/zinc/15/47/30/1067154730.db2.gz MEZLYBDOFTXPOZ-CVDCTZTESA-N 0 0 451.592 4.578 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451241211 1067155210 /nfs/dbraw/zinc/15/52/10/1067155210.db2.gz DBVYYNNWPQQMIG-ZUOKHONESA-N 0 0 458.427 4.584 20 0 JJADRN CCn1c(=O)c2ccccc2nc1SCc1cc(Cl)ccc1I ZINC001458820576 1067155554 /nfs/dbraw/zinc/15/55/54/1067155554.db2.gz WKOPSVLPSSVWML-UHFFFAOYSA-N 0 0 456.736 4.967 20 0 JJADRN CCCCCn1c(=O)c2cc(Br)ccc2nc1SCCCCC(=O)N(C)C ZINC001458820604 1067155574 /nfs/dbraw/zinc/15/55/74/1067155574.db2.gz FFEQIVIEMNLBAD-UHFFFAOYSA-N 0 0 454.434 4.700 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451247804 1067155609 /nfs/dbraw/zinc/15/56/09/1067155609.db2.gz PJBVSGOYFVMPNY-QFIPXVFZSA-N 0 0 454.558 4.712 20 0 JJADRN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)c(=O)[nH]1 ZINC001451246670 1067155677 /nfs/dbraw/zinc/15/56/77/1067155677.db2.gz GDJKLNJRNSUZRW-INIZCTEOSA-N 0 0 453.583 4.768 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001451254923 1067156292 /nfs/dbraw/zinc/15/62/92/1067156292.db2.gz PMCCFVZLOHLUOA-LJQANCHMSA-N 0 0 457.615 4.826 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cnn1-c1ccc(F)cc1 ZINC001451257929 1067156297 /nfs/dbraw/zinc/15/62/97/1067156297.db2.gz ZLPBMFPUVCSQRL-XMMPIXPASA-N 0 0 457.496 4.828 20 0 JJADRN Cc1c(Br)c(Cl)ncc1NC(=O)c1cnn(C(C)(C)C)c1Br ZINC001458822296 1067156660 /nfs/dbraw/zinc/15/66/60/1067156660.db2.gz AWNXARGBVAGJBB-UHFFFAOYSA-N 0 0 450.562 4.772 20 0 JJADRN CC[C@H](O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl ZINC001458823974 1067157136 /nfs/dbraw/zinc/15/71/36/1067157136.db2.gz LPXJZDZLKICDRZ-AWEZNQCLSA-N 0 0 453.789 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc([S@@](C)(=N)=O)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001451261910 1067157129 /nfs/dbraw/zinc/15/71/29/1067157129.db2.gz CROQSFBLZURDNY-UEKCHLGVSA-N 0 0 478.014 4.965 20 0 JJADRN C[S@](=N)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001451260049 1067157139 /nfs/dbraw/zinc/15/71/39/1067157139.db2.gz MWZRVNSLOCNTNG-ONSXPEOJSA-N 0 0 454.379 4.520 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC001546029792 1067157202 /nfs/dbraw/zinc/15/72/02/1067157202.db2.gz QSDKCFWTFGUCGB-LJQANCHMSA-N 0 0 454.644 4.855 20 0 JJADRN C[S@](=N)(=O)c1ccc(NC(=O)Cc2csc(-c3sccc3Br)n2)cc1 ZINC001451279813 1067157208 /nfs/dbraw/zinc/15/72/08/1067157208.db2.gz ZTBCIMXQXBNDPR-VWLOTQADSA-N 0 0 456.412 4.851 20 0 JJADRN CCCCc1ccc(-n2c(SCCS(=O)(=O)N(C)C)nnc2-c2ccc(C)cc2)cc1 ZINC001458823652 1067157244 /nfs/dbraw/zinc/15/72/44/1067157244.db2.gz IXBUKZWUQVFKQQ-UHFFFAOYSA-N 0 0 458.653 4.569 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2nc(C)cc2C)CC1 ZINC001546029976 1067157834 /nfs/dbraw/zinc/15/78/34/1067157834.db2.gz XCDZMBPPGDNSQP-UHFFFAOYSA-N 0 0 471.049 4.880 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001458824550 1067157874 /nfs/dbraw/zinc/15/78/74/1067157874.db2.gz XADPIESOECXCRB-OAQYLSRUSA-N 0 0 459.468 4.644 20 0 JJADRN COc1ccc(-c2nnc(S[C@@H]3CCCN(C(C)C)C3=O)n2C2CCCCC2)cc1OC ZINC001458824475 1067157978 /nfs/dbraw/zinc/15/79/78/1067157978.db2.gz SRTYRRFZNFAWTP-OAQYLSRUSA-N 0 0 458.628 4.959 20 0 JJADRN CCOC(=O)CC[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 ZINC001458825274 1067158559 /nfs/dbraw/zinc/15/85/59/1067158559.db2.gz QSRGWQWMDHFPFZ-AWEZNQCLSA-N 0 0 458.605 4.768 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC001458826352 1067159085 /nfs/dbraw/zinc/15/90/85/1067159085.db2.gz VPEMHSSAXFPBMJ-UHFFFAOYSA-N 0 0 451.695 4.750 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3cnc(Cl)c(Br)c3C)CC2=O)c(C)c1 ZINC001458826343 1067159102 /nfs/dbraw/zinc/15/91/02/1067159102.db2.gz VOOVLYANPBLDJZ-AWEZNQCLSA-N 0 0 450.764 4.723 20 0 JJADRN COc1cccc(C(=O)c2c3c(sc2NC(=O)c2cc(OCC(F)F)ccn2)CCC3)c1 ZINC001458825784 1067159182 /nfs/dbraw/zinc/15/91/82/1067159182.db2.gz RROCODSZRVJILE-UHFFFAOYSA-N 0 0 458.486 4.768 20 0 JJADRN CCOC(=O)c1c(C)ccnc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C ZINC001458826035 1067159207 /nfs/dbraw/zinc/15/92/07/1067159207.db2.gz GUFQDMDIKPOGGV-UHFFFAOYSA-N 0 0 451.573 4.834 20 0 JJADRN O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001451325858 1067159299 /nfs/dbraw/zinc/15/92/99/1067159299.db2.gz HXEZQSCNAYZOPX-RTWAWAEBSA-N 0 0 454.548 4.761 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(I)c1C ZINC001458826831 1067159774 /nfs/dbraw/zinc/15/97/74/1067159774.db2.gz WQSHCUJIXGDOJS-LBPRGKRZSA-N 0 0 455.317 4.506 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cccc(I)c1C ZINC001458826844 1067159779 /nfs/dbraw/zinc/15/97/79/1067159779.db2.gz WYSWWNCXXORIEM-UHFFFAOYSA-N 0 0 453.230 4.624 20 0 JJADRN CCOC(=O)Cc1csc(SCc2ccc(I)c(Cl)c2)n1 ZINC001458826966 1067159830 /nfs/dbraw/zinc/15/98/30/1067159830.db2.gz QWGMUVQJZGAYRQ-UHFFFAOYSA-N 0 0 453.754 4.799 20 0 JJADRN CCOc1ccc(OC(=O)CSc2nc3sc4c(c3c(=O)n2CC)CC[C@H](C)C4)cc1 ZINC001458828321 1067160379 /nfs/dbraw/zinc/16/03/79/1067160379.db2.gz JTIXBDJEVQKTAF-AWEZNQCLSA-N 0 0 458.605 4.699 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1c(C)[nH]nc1C(F)F ZINC001545820856 1067160417 /nfs/dbraw/zinc/16/04/17/1067160417.db2.gz KYMDNAJICBZAGC-UHFFFAOYSA-N 0 0 455.531 4.787 20 0 JJADRN CCN(CC(=O)Nc1c(C)[nH]nc1C(F)F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001545821239 1067160449 /nfs/dbraw/zinc/16/04/49/1067160449.db2.gz XQQZMUAMBWWDFQ-UHFFFAOYSA-N 0 0 454.477 4.865 20 0 JJADRN Cn1c(COc2ccccc2Cl)nnc1SCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001458829412 1067160696 /nfs/dbraw/zinc/16/06/96/1067160696.db2.gz XFSJBMYPXZOAMC-HNNXBMFYSA-N 0 0 453.008 4.787 20 0 JJADRN CCCNC(=O)CCCSc1nc2sc(CC)c(C)c2c(=O)n1-c1cccc(OC)c1 ZINC001458829874 1067161462 /nfs/dbraw/zinc/16/14/62/1067161462.db2.gz ZVKSOEDHMWNYGI-UHFFFAOYSA-N 0 0 459.637 4.725 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccsc3)CC2)on1 ZINC001545821609 1067161707 /nfs/dbraw/zinc/16/17/07/1067161707.db2.gz HKUJNPVRNSSHKT-UHFFFAOYSA-N 0 0 470.643 4.802 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccc(OC)cc2)on1 ZINC001545821618 1067161750 /nfs/dbraw/zinc/16/17/50/1067161750.db2.gz HRNSCASKHFGMJJ-HSZRJFAPSA-N 0 0 480.613 4.706 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(NC(C)=O)CC2)on1 ZINC001545821879 1067162337 /nfs/dbraw/zinc/16/23/37/1067162337.db2.gz NSVWOLSAUYYLBK-QGZVFWFLSA-N 0 0 498.603 4.602 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1nccnc1SCc1ccccc1 ZINC001451380911 1067162475 /nfs/dbraw/zinc/16/24/75/1067162475.db2.gz UMMAKZHJTLSIIF-VQTJNVASSA-N 0 0 472.536 4.529 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001546030787 1067162540 /nfs/dbraw/zinc/16/25/40/1067162540.db2.gz QSMXJLFVVQVZTQ-LLVKDONJSA-N 0 0 456.262 4.900 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)C[C@H]1c1cccc(F)c1 ZINC001451390144 1067162870 /nfs/dbraw/zinc/16/28/70/1067162870.db2.gz LVEWXMQONKTPBX-PZJWPPBQSA-N 0 0 478.511 4.782 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451387898 1067163016 /nfs/dbraw/zinc/16/30/16/1067163016.db2.gz INTYIGNEJRHMSS-FCHUYYIVSA-N 0 0 478.568 4.966 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](OC)C2)on1 ZINC001545822109 1067162986 /nfs/dbraw/zinc/16/29/86/1067162986.db2.gz TWRLHPKDQILFIB-OXQOHEQNSA-N 0 0 457.550 4.722 20 0 JJADRN COCc1nocc1C(=O)Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC001458834118 1067163015 /nfs/dbraw/zinc/16/30/15/1067163015.db2.gz QUNPQDBHHGQCDE-UHFFFAOYSA-N 0 0 450.438 4.873 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2cc(COC(C)(C)C)on2)COCC3)cc1 ZINC001458835258 1067163633 /nfs/dbraw/zinc/16/36/33/1067163633.db2.gz JRUYOZSPFLVOQA-UHFFFAOYSA-N 0 0 454.548 4.916 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458835149 1067163706 /nfs/dbraw/zinc/16/37/06/1067163706.db2.gz GKAXDVLOWKUQPB-JPYJTQIMSA-N 0 0 454.933 4.910 20 0 JJADRN O=C(CCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)OCc1ccccc1 ZINC001458835920 1067164199 /nfs/dbraw/zinc/16/41/99/1067164199.db2.gz MRXBTPLSXANJRW-HXUWFJFHSA-N 0 0 451.592 4.543 20 0 JJADRN O=C1[C@@H](Sc2n[nH]c(COc3ccc(Cl)cc3)n2)CCN1c1ccc(F)c(Cl)c1 ZINC001458836090 1067164250 /nfs/dbraw/zinc/16/42/50/1067164250.db2.gz RFIZZTSMBBQGQP-INIZCTEOSA-N 0 0 453.326 4.727 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H](c2ccccc2)C1 ZINC001451395671 1067164371 /nfs/dbraw/zinc/16/43/71/1067164371.db2.gz CPGKPKDKQVWDNS-JBACZVJFSA-N 0 0 455.599 4.621 20 0 JJADRN O=C(COc1ccc(Br)cc1)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC001458836516 1067164887 /nfs/dbraw/zinc/16/48/87/1067164887.db2.gz OSFZMPYNYYQYHD-UHFFFAOYSA-N 0 0 457.320 4.851 20 0 JJADRN Cc1nc2ccc(O)cc2cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451396766 1067164954 /nfs/dbraw/zinc/16/49/54/1067164954.db2.gz DQJUXRPUDJLJKS-JTHBVZDNSA-N 0 0 465.525 4.521 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)c2nccs2)on1 ZINC001545823164 1067164926 /nfs/dbraw/zinc/16/49/26/1067164926.db2.gz CINFAAVLTOHHKJ-MRXNPFEDSA-N 0 0 451.600 4.976 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)on1 ZINC001545823199 1067165531 /nfs/dbraw/zinc/16/55/31/1067165531.db2.gz DIWJOGHAMPEPGW-GOSISDBHSA-N 0 0 495.628 4.631 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)on1 ZINC001545823206 1067165622 /nfs/dbraw/zinc/16/56/22/1067165622.db2.gz DNMXQLPEFWGETA-VWLOTQADSA-N 0 0 452.603 4.921 20 0 JJADRN O=C(NC[C@H](O)c1ccccc1Br)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001451407206 1067165698 /nfs/dbraw/zinc/16/56/98/1067165698.db2.gz AHRBKABIOQCJNI-KRWDZBQOSA-N 0 0 458.274 4.520 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451407426 1067165618 /nfs/dbraw/zinc/16/56/18/1067165618.db2.gz XTVMPBPNUKDTAR-QUGAMOGWSA-N 0 0 453.558 4.805 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001451407697 1067165643 /nfs/dbraw/zinc/16/56/43/1067165643.db2.gz YCLZXQFJYYKXPX-SECBINFHSA-N 0 0 457.141 4.532 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001451406821 1067165675 /nfs/dbraw/zinc/16/56/75/1067165675.db2.gz XLRPGQIBYOKYGS-QGCDCVKKSA-N 0 0 457.590 4.648 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](C)(C(=O)NC)C2)on1 ZINC001545823238 1067165695 /nfs/dbraw/zinc/16/56/95/1067165695.db2.gz FQIZDCZJJOQQIN-XMMPIXPASA-N 0 0 488.995 4.640 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCc2cnccc2C(C)(C)C)[C@H]1c1ccc(OC)cc1 ZINC001451409581 1067166821 /nfs/dbraw/zinc/16/68/21/1067166821.db2.gz GCWWCXFRLMEVKK-WIOPSUGQSA-N 0 0 451.611 4.784 20 0 JJADRN COc1ccccc1C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001451409648 1067166887 /nfs/dbraw/zinc/16/68/87/1067166887.db2.gz GHUCKJJVCQSHDH-SIKLNZKXSA-N 0 0 468.569 4.775 20 0 JJADRN CCN(Cc1c(CO)cnc(C)c1O)C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC001451409202 1067166909 /nfs/dbraw/zinc/16/69/09/1067166909.db2.gz BSDYAQSTLPDCLJ-UHFFFAOYSA-N 0 0 450.322 4.520 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)no2)cc1 ZINC001451408973 1067166934 /nfs/dbraw/zinc/16/69/34/1067166934.db2.gz DMZARLATDPWZRU-SIKLNZKXSA-N 0 0 481.524 4.622 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)on2)C[C@H]1c1ccccc1F ZINC001451410718 1067167475 /nfs/dbraw/zinc/16/74/75/1067167475.db2.gz KOPYGOHWPBCIMV-LAUBAEHRSA-N 0 0 469.488 4.753 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001451410856 1067167557 /nfs/dbraw/zinc/16/75/57/1067167557.db2.gz LHPVTTQEZNMVEI-LAUBAEHRSA-N 0 0 475.948 4.570 20 0 JJADRN CC(C)Oc1c(F)cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1F ZINC001458841612 1067168105 /nfs/dbraw/zinc/16/81/05/1067168105.db2.gz IXYUDTRJIHKLQS-LBPRGKRZSA-N 0 0 453.283 4.506 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1c1ccccc1F ZINC001451411302 1067168148 /nfs/dbraw/zinc/16/81/48/1067168148.db2.gz NESUWTAPLCBBGC-IAAVTCLWSA-N 0 0 474.495 4.535 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(Br)cnc1Br)[C@H]2C ZINC001458842401 1067168656 /nfs/dbraw/zinc/16/86/56/1067168656.db2.gz QWTVDNJISCVSCY-QWRGUYRKSA-N 0 0 454.162 4.763 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001458843178 1067169154 /nfs/dbraw/zinc/16/91/54/1067169154.db2.gz OFVBBLJHOYFYQA-UHFFFAOYSA-N 0 0 451.386 4.606 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N(C)C[C@@H](O)c1cccc(Br)c1)c(C)n2C1CC1 ZINC001451413981 1067169210 /nfs/dbraw/zinc/16/92/10/1067169210.db2.gz NXHXMYBAIHNXCQ-OAQYLSRUSA-N 0 0 457.368 4.861 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545824596 1067169296 /nfs/dbraw/zinc/16/92/96/1067169296.db2.gz CTMUFSIXRRESOT-GOSISDBHSA-N 0 0 474.650 4.910 20 0 JJADRN O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC001458844499 1067169362 /nfs/dbraw/zinc/16/93/62/1067169362.db2.gz CEMSYLDTUHJBAS-UHFFFAOYSA-N 0 0 458.704 4.964 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)on1 ZINC001545824711 1067169782 /nfs/dbraw/zinc/16/97/82/1067169782.db2.gz HAGJSEZNCJSBDR-UZLBHIALSA-N 0 0 484.567 4.532 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545824804 1067169789 /nfs/dbraw/zinc/16/97/89/1067169789.db2.gz KBYGMSCNTHRKQG-IBGZPJMESA-N 0 0 472.634 4.664 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCN([C@H](C)c3nccs3)CC2)on1 ZINC001545824776 1067169883 /nfs/dbraw/zinc/16/98/83/1067169883.db2.gz JFDABFLQBUPVJB-GOSISDBHSA-N 0 0 471.675 4.756 20 0 JJADRN C[C@H]1CSc2ccc(Cl)cc2N(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)C1 ZINC001458845242 1067169810 /nfs/dbraw/zinc/16/98/10/1067169810.db2.gz DDGGQRKBNDJBSG-QGZVFWFLSA-N 0 0 451.032 4.614 20 0 JJADRN Cc1cc(C)c(CC(=O)NC[C@@H](O)c2ccccc2Br)c(C)c1Br ZINC001451425116 1067169983 /nfs/dbraw/zinc/16/99/83/1067169983.db2.gz VGLJNEHWCSPVAG-QGZVFWFLSA-N 0 0 455.190 4.529 20 0 JJADRN Cc1nn(C(C)(C)C)c(C)c1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451414161 1067170010 /nfs/dbraw/zinc/17/00/10/1067170010.db2.gz YUGIQXVGUIBJLW-AZUAARDMSA-N 0 0 458.578 4.527 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2C)cc1 ZINC001451428051 1067170593 /nfs/dbraw/zinc/17/05/93/1067170593.db2.gz ZXKQTULDBGTGGU-OAQYLSRUSA-N 0 0 454.571 4.834 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)CCSc1ccccc1Br ZINC001458846470 1067170582 /nfs/dbraw/zinc/17/05/82/1067170582.db2.gz ZVBWWSYEYHCBDO-UHFFFAOYSA-N 0 0 455.399 4.620 20 0 JJADRN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ccc(Br)cc3Cl)C2=O)cc1 ZINC001458846573 1067170612 /nfs/dbraw/zinc/17/06/12/1067170612.db2.gz PQTFQYKGGMMOSP-FQEVSTJZSA-N 0 0 451.748 4.554 20 0 JJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H]1CCO[C@H](c2ccncc2)C1 ZINC001458846594 1067170628 /nfs/dbraw/zinc/17/06/28/1067170628.db2.gz PYPWVGJINRLSPJ-RXVVDRJESA-N 0 0 459.999 4.884 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCCOCC2)on1 ZINC001545824887 1067170541 /nfs/dbraw/zinc/17/05/41/1067170541.db2.gz MNADSMTZORNIIZ-UHFFFAOYSA-N 0 0 453.587 4.641 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545825133 1067171169 /nfs/dbraw/zinc/17/11/69/1067171169.db2.gz SZKCNEUAFKQMGV-RXVVDRJESA-N 0 0 488.633 4.563 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2CC=C(C(F)(F)F)CC2)on1 ZINC001545825056 1067171204 /nfs/dbraw/zinc/17/12/04/1067171204.db2.gz QVEFQFLJKUICRA-UHFFFAOYSA-N 0 0 460.504 4.903 20 0 JJADRN CCn1cc(C(=O)N2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c2ccccc21 ZINC001451432591 1067171373 /nfs/dbraw/zinc/17/13/73/1067171373.db2.gz RNLYQMGXRLPMOK-WMZHIEFXSA-N 0 0 455.599 4.586 20 0 JJADRN CCC(CC)c1cc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)on1 ZINC001545825287 1067171634 /nfs/dbraw/zinc/17/16/34/1067171634.db2.gz YFBJSAUYECVYTF-INIZCTEOSA-N 0 0 486.567 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 ZINC001545825993 1067172159 /nfs/dbraw/zinc/17/21/59/1067172159.db2.gz CGGBVNXQDJRISX-HNNXBMFYSA-N 0 0 492.521 4.995 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CC1CCCCC1 ZINC001545825960 1067172285 /nfs/dbraw/zinc/17/22/85/1067172285.db2.gz BQICUDVRZFWPMV-LJQANCHMSA-N 0 0 496.656 4.931 20 0 JJADRN CCOc1ccc(-c2nnc(SC[C@H](C)CN3CCOCC3)n2-c2ccccc2F)cc1 ZINC001458851356 1067172571 /nfs/dbraw/zinc/17/25/71/1067172571.db2.gz GQIKXCMMIGEPQR-GOSISDBHSA-N 0 0 456.587 4.533 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@H]1CCCSC1 ZINC001545826198 1067173343 /nfs/dbraw/zinc/17/33/43/1067173343.db2.gz HZCXMSKPQUOCHO-QZTJIDSGSA-N 0 0 459.660 4.546 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1CCC(F)(F)C1 ZINC001545826152 1067173427 /nfs/dbraw/zinc/17/34/27/1067173427.db2.gz HGDLWBZCRBMQFB-JKSUJKDBSA-N 0 0 451.537 4.968 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@H](O)C1CCC1)Nc1cc(Cl)cc(Cl)c1 ZINC001451473486 1067173912 /nfs/dbraw/zinc/17/39/12/1067173912.db2.gz AGLJABFUBCBIHM-SFHVURJKSA-N 0 0 453.391 4.615 20 0 JJADRN CCC(CC)c1cc(Cn2c(Nc3ccn(C)n3)nnc2[C@H](C)Oc2ccccc2F)on1 ZINC001545826334 1067173865 /nfs/dbraw/zinc/17/38/65/1067173865.db2.gz KUCGGMNLRBWPDJ-HNNXBMFYSA-N 0 0 453.522 4.974 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC(C)(C)c1ccccn1 ZINC001545826395 1067173916 /nfs/dbraw/zinc/17/39/16/1067173916.db2.gz LXGYPJKQHOUVPB-SFHVURJKSA-N 0 0 466.605 4.906 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001545826414 1067173957 /nfs/dbraw/zinc/17/39/57/1067173957.db2.gz MHWWXFFLKCKHRT-IBGZPJMESA-N 0 0 498.672 4.569 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@@H](CO)c2ccc(F)cc2)c1 ZINC001451471964 1067173940 /nfs/dbraw/zinc/17/39/40/1067173940.db2.gz TVZWOULKDVJCNA-NRFANRHFSA-N 0 0 459.521 4.501 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001545826453 1067174443 /nfs/dbraw/zinc/17/44/43/1067174443.db2.gz MZXHILWWVZRWKV-HNNXBMFYSA-N 0 0 479.503 4.934 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545826417 1067174577 /nfs/dbraw/zinc/17/45/77/1067174577.db2.gz MIONTEDLZPYLJH-MRXNPFEDSA-N 0 0 471.552 4.997 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC001451476983 1067174649 /nfs/dbraw/zinc/17/46/49/1067174649.db2.gz VOCQZTAEZJTQAZ-QHCPKHFHSA-N 0 0 453.380 4.648 20 0 JJADRN CSc1cc(NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)ccc1Cl ZINC001451483620 1067174761 /nfs/dbraw/zinc/17/47/61/1067174761.db2.gz IOBDEBBXYAQPGG-JOCHJYFZSA-N 0 0 455.020 4.933 20 0 JJADRN O=C1[C@H](Sc2nnc(NCc3ccco3)s2)CCCN1c1ccc(OC(F)F)cc1 ZINC001458857913 1067175057 /nfs/dbraw/zinc/17/50/57/1067175057.db2.gz BIAFETGIESKAQV-OAHLLOKOSA-N 0 0 452.508 4.632 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C(C)C)C2)on1 ZINC001545826576 1067175070 /nfs/dbraw/zinc/17/50/70/1067175070.db2.gz QHGALVXXCWJEPS-QHCPKHFHSA-N 0 0 471.577 4.797 20 0 JJADRN Cc1cc(C(=O)NCCS(=O)(=O)C2CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl ZINC001451495997 1067175355 /nfs/dbraw/zinc/17/53/55/1067175355.db2.gz XQTJCIRRTKCGST-CQSZACIVSA-N 0 0 455.407 4.782 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1OCC ZINC001458858947 1067175488 /nfs/dbraw/zinc/17/54/88/1067175488.db2.gz WGEXJBIVBNURTL-OCCSQVGLSA-N 0 0 452.311 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001545826689 1067175743 /nfs/dbraw/zinc/17/57/43/1067175743.db2.gz RUWLIACTQGTNRU-MSYCTHLASA-N 0 0 473.637 4.984 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826672 1067175750 /nfs/dbraw/zinc/17/57/50/1067175750.db2.gz ROCRNHDGAUIIIU-ZWKOTPCHSA-N 0 0 499.610 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC1CC(C)(C)C1 ZINC001545826802 1067176267 /nfs/dbraw/zinc/17/62/67/1067176267.db2.gz UEHABIXWEQYXSR-JSRFKQPZSA-N 0 0 473.687 4.568 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826829 1067176313 /nfs/dbraw/zinc/17/63/13/1067176313.db2.gz UOGOFTLGAGEJKV-NHCUHLMSSA-N 0 0 477.657 4.785 20 0 JJADRN C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001451522185 1067176746 /nfs/dbraw/zinc/17/67/46/1067176746.db2.gz HUIHGIKSQIXMCD-JOCHJYFZSA-N 0 0 456.493 4.922 20 0 JJADRN CC(C)(C)c1cccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2)c1 ZINC001458862375 1067177224 /nfs/dbraw/zinc/17/72/24/1067177224.db2.gz MTWXJRKNIXIZEK-UHFFFAOYSA-N 0 0 452.624 4.963 20 0 JJADRN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C ZINC001458863663 1067177273 /nfs/dbraw/zinc/17/72/73/1067177273.db2.gz QWUGIIKIBQYCDF-IBGZPJMESA-N 0 0 459.575 4.977 20 0 JJADRN COc1cc(/C=C/C(=O)NCC2(c3c(F)cccc3F)CCC2)cc(Br)c1O ZINC001451533828 1067177216 /nfs/dbraw/zinc/17/72/16/1067177216.db2.gz ORZDYDVUHZPFTK-VOTSOKGWSA-N 0 0 452.295 4.693 20 0 JJADRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001451530725 1067177360 /nfs/dbraw/zinc/17/73/60/1067177360.db2.gz QRPVCHBSRWKBEI-FQEVSTJZSA-N 0 0 454.980 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCc1c(F)cccc1F ZINC001545826995 1067177380 /nfs/dbraw/zinc/17/73/80/1067177380.db2.gz YORCVNKLLBSKLT-HNNXBMFYSA-N 0 0 461.582 4.976 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1CCc1cccnc1 ZINC001545826966 1067177399 /nfs/dbraw/zinc/17/73/99/1067177399.db2.gz XZCDMCGYJCTELP-SFHVURJKSA-N 0 0 460.582 4.778 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545827871 1067177753 /nfs/dbraw/zinc/17/77/53/1067177753.db2.gz CZBGDDXPIFJTGL-PMOLBWCYSA-N 0 0 463.548 4.807 20 0 JJADRN Cc1cc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1-n1nnnc1C(C)C ZINC001458863811 1067177877 /nfs/dbraw/zinc/17/78/77/1067177877.db2.gz QEERMPMNMZUWHD-UHFFFAOYSA-N 0 0 459.472 4.954 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)oc21 ZINC001451558166 1067178345 /nfs/dbraw/zinc/17/83/45/1067178345.db2.gz VRMDTRONBOQUOP-UHFFFAOYSA-N 0 0 451.361 4.975 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC001451576096 1067179280 /nfs/dbraw/zinc/17/92/80/1067179280.db2.gz MNHAIKBGUANLMX-GDBMZVCRSA-N 0 0 457.434 4.741 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1Cc1nc(C(C)(C)C)cs1 ZINC001545828575 1067179082 /nfs/dbraw/zinc/17/90/82/1067179082.db2.gz YZJFMROFJFVYAX-UHFFFAOYSA-N 0 0 480.682 4.602 20 0 JJADRN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001545829103 1067179118 /nfs/dbraw/zinc/17/91/18/1067179118.db2.gz OJCWOEPEHYRGSV-LAUBAEHRSA-N 0 0 454.368 4.535 20 0 JJADRN FC(F)(F)Oc1ccc(-n2nnnc2SCCOc2ccccc2C(F)(F)F)cc1 ZINC001458866384 1067179132 /nfs/dbraw/zinc/17/91/32/1067179132.db2.gz WYHIQWDYRWNRCU-UHFFFAOYSA-N 0 0 450.364 4.751 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cc1 ZINC001458866096 1067179202 /nfs/dbraw/zinc/17/92/02/1067179202.db2.gz RVAVEPMUEDUXQQ-UHFFFAOYSA-N 0 0 459.587 4.915 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC001451572656 1067179276 /nfs/dbraw/zinc/17/92/76/1067179276.db2.gz GCUSKKBXNLYDBW-IEBWSBKVSA-N 0 0 453.421 4.972 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001451577280 1067179660 /nfs/dbraw/zinc/17/96/60/1067179660.db2.gz OOHXEWDVUMTVCM-UYAOXDASSA-N 0 0 451.567 4.671 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001545829722 1067179863 /nfs/dbraw/zinc/17/98/63/1067179863.db2.gz FDTWUHAXNNOFEI-GOSISDBHSA-N 0 0 479.629 4.819 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001545829723 1067179875 /nfs/dbraw/zinc/17/98/75/1067179875.db2.gz FDTWUHAXNNOFEI-SFHVURJKSA-N 0 0 479.629 4.819 20 0 JJADRN C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001458870058 1067180388 /nfs/dbraw/zinc/18/03/88/1067180388.db2.gz BOAQEDJKVIRSJX-ZDUSSCGKSA-N 0 0 454.556 4.799 20 0 JJADRN CSCCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001458870595 1067180394 /nfs/dbraw/zinc/18/03/94/1067180394.db2.gz VPAGUYKHUQQXAV-KRWDZBQOSA-N 0 0 455.462 4.649 20 0 JJADRN CN(C)c1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1C(F)(F)F ZINC001451586104 1067180489 /nfs/dbraw/zinc/18/04/89/1067180489.db2.gz MYPUGCAUYYVLRA-MOSHPQCFSA-N 0 0 454.452 4.576 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001545829851 1067180496 /nfs/dbraw/zinc/18/04/96/1067180496.db2.gz HXVLVJRFOCEZSY-RDPSFJRHSA-N 0 0 477.657 4.640 20 0 JJADRN CCNc1nc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nc2ccccc21 ZINC001458872534 1067180734 /nfs/dbraw/zinc/18/07/34/1067180734.db2.gz SPZJRJAYDDSOMC-UHFFFAOYSA-N 0 0 453.568 4.979 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1Cc1ccccc1OC(F)F ZINC001545830170 1067180838 /nfs/dbraw/zinc/18/08/38/1067180838.db2.gz ONDXCPGWPJRZSX-LPHOPBHVSA-N 0 0 463.573 4.861 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCCCC2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001545830290 1067180924 /nfs/dbraw/zinc/18/09/24/1067180924.db2.gz QPWJZTDMUPWPOP-UHFFFAOYSA-N 0 0 469.630 4.672 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001451647811 1067182233 /nfs/dbraw/zinc/18/22/33/1067182233.db2.gz GLEHWIXXYLYYAJ-SFHVURJKSA-N 0 0 458.986 4.524 20 0 JJADRN Cc1ccc(NC(=O)CCSc2ccc(Br)cc2)cc1-c1nnnn1C1CC1 ZINC001458875065 1067182240 /nfs/dbraw/zinc/18/22/40/1067182240.db2.gz LRZPQWKUQSHARY-UHFFFAOYSA-N 0 0 458.385 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1C[C@@H]1CCSC1(C)C ZINC001545830427 1067182360 /nfs/dbraw/zinc/18/23/60/1067182360.db2.gz USLJCOBMVBYSQQ-NZQKXSOJSA-N 0 0 498.741 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1C[C@@H]1CCSC1(C)C ZINC001545830429 1067182392 /nfs/dbraw/zinc/18/23/92/1067182392.db2.gz USLJCOBMVBYSQQ-REWPJTCUSA-N 0 0 498.741 4.833 20 0 JJADRN CCOc1ccc(-n2c(SCC(=O)NCc3cccc(C)c3)nc3ccccc3c2=O)cc1 ZINC001458875551 1067182367 /nfs/dbraw/zinc/18/23/67/1067182367.db2.gz HQGVOYCPSMAPCI-UHFFFAOYSA-N 0 0 459.571 4.501 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)C1 ZINC001451650149 1067182371 /nfs/dbraw/zinc/18/23/71/1067182371.db2.gz WVHBZIRODYVTCY-HSZRJFAPSA-N 0 0 450.579 4.793 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)C1 ZINC001451651922 1067183046 /nfs/dbraw/zinc/18/30/46/1067183046.db2.gz GPMFOKVTRIJSJS-IBGZPJMESA-N 0 0 456.533 4.576 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 ZINC001546033063 1067183090 /nfs/dbraw/zinc/18/30/90/1067183090.db2.gz MLUIKMXNQUOGSF-QFIPXVFZSA-N 0 0 474.621 4.760 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)C1 ZINC001451652483 1067183141 /nfs/dbraw/zinc/18/31/41/1067183141.db2.gz NBJRYFMBTAUUFE-UNMCSNQZSA-N 0 0 458.599 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1CCC1(F)CCC1 ZINC001545833603 1067183485 /nfs/dbraw/zinc/18/34/85/1067183485.db2.gz DQKBRCXKWMXXPU-UHFFFAOYSA-N 0 0 486.455 4.939 20 0 JJADRN CC(C)C1(c2ccccc2)CN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 ZINC001451658428 1067183703 /nfs/dbraw/zinc/18/37/03/1067183703.db2.gz YMMRCPIHMKLVGC-UHFFFAOYSA-N 0 0 454.636 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CC1 ZINC001451654091 1067183749 /nfs/dbraw/zinc/18/37/49/1067183749.db2.gz LQKGUYOJCSZRCF-KRWDZBQOSA-N 0 0 458.946 4.898 20 0 JJADRN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)s2)cc1Cl ZINC001458877190 1067183760 /nfs/dbraw/zinc/18/37/60/1067183760.db2.gz HNMSRLZUWVJXOW-LBPRGKRZSA-N 0 0 454.021 4.883 20 0 JJADRN Nn1c(COc2ccc(F)cc2)nnc1SCc1cccc2c(Br)cccc12 ZINC001458877376 1067183768 /nfs/dbraw/zinc/18/37/68/1067183768.db2.gz OOBLAEWIGKIKDE-UHFFFAOYSA-N 0 0 459.344 4.918 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1Cc1cccc(Cl)c1C ZINC001545833807 1067184249 /nfs/dbraw/zinc/18/42/49/1067184249.db2.gz LKWVKKYZLYJHOM-UHFFFAOYSA-N 0 0 461.035 4.608 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(SCc3c(F)ccc(Br)c3F)n2N)c1 ZINC001458879651 1067184361 /nfs/dbraw/zinc/18/43/61/1067184361.db2.gz VXNSKEXPKBGZPB-UHFFFAOYSA-N 0 0 455.328 4.521 20 0 JJADRN C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CCc1nc2cc(Br)ccc2s1)C1CC1 ZINC001451661715 1067184616 /nfs/dbraw/zinc/18/46/16/1067184616.db2.gz MJMNVBVBLFOJSN-LBPRGKRZSA-N 0 0 453.402 4.713 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c2ccccc2)cc1 ZINC001451659551 1067184627 /nfs/dbraw/zinc/18/46/27/1067184627.db2.gz HZYNWZQGWQEFGI-WMZHIEFXSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(SCc3cccc(Cl)c3Br)n2N)c1 ZINC001458880602 1067184845 /nfs/dbraw/zinc/18/48/45/1067184845.db2.gz ZVJWJSMGIKFPGE-UHFFFAOYSA-N 0 0 453.793 4.896 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c2cccc(Cl)c2O1 ZINC001458881282 1067184972 /nfs/dbraw/zinc/18/49/72/1067184972.db2.gz XUUZZUAQWPVTLK-DYESRHJHSA-N 0 0 453.970 4.709 20 0 JJADRN O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001458880994 1067184979 /nfs/dbraw/zinc/18/49/79/1067184979.db2.gz WTSDMKNAVUFWNN-OAHLLOKOSA-N 0 0 457.786 4.745 20 0 JJADRN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458879826 1067185021 /nfs/dbraw/zinc/18/50/21/1067185021.db2.gz IEDJXDUCOHYPPD-KYNGSXCRSA-N 0 0 469.301 4.957 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCc1cc(C)cc(C)n1)n(CCc1ccccc1)c2=O ZINC001458881610 1067185571 /nfs/dbraw/zinc/18/55/71/1067185571.db2.gz JVEXUOUGOCUEOS-UHFFFAOYSA-N 0 0 459.571 4.730 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001545835091 1067185992 /nfs/dbraw/zinc/18/59/92/1067185992.db2.gz LERMRRNUPZZYPA-KOSHJBKYSA-N 0 0 480.028 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CC1CCCC1 ZINC001545835052 1067186066 /nfs/dbraw/zinc/18/60/66/1067186066.db2.gz JWNRAWBGQLIDFV-UHFFFAOYSA-N 0 0 468.465 4.847 20 0 JJADRN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC001451687543 1067186269 /nfs/dbraw/zinc/18/62/69/1067186269.db2.gz GRVDJNPANYMPRW-ZIAGYGMSSA-N 0 0 456.808 4.960 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1Cl ZINC001451683232 1067186341 /nfs/dbraw/zinc/18/63/41/1067186341.db2.gz BATGRQYJDCBYLA-LJQANCHMSA-N 0 0 453.922 4.888 20 0 JJADRN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC001451687527 1067186398 /nfs/dbraw/zinc/18/63/98/1067186398.db2.gz GRVDJNPANYMPRW-UONOGXRCSA-N 0 0 456.808 4.960 20 0 JJADRN COc1ccc(CNc2nnc(S[C@@H]3CCN(c4c(C)cc(C)cc4C)C3=O)s2)cc1 ZINC001458885477 1067186532 /nfs/dbraw/zinc/18/65/32/1067186532.db2.gz XYLOGZWEQLVIKI-LJQANCHMSA-N 0 0 454.621 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001545835257 1067186586 /nfs/dbraw/zinc/18/65/86/1067186586.db2.gz QIRYNKNCRFLKGU-KRWDZBQOSA-N 0 0 485.501 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1C[C@H](OC)C(C)(C)C ZINC001545835203 1067186591 /nfs/dbraw/zinc/18/65/91/1067186591.db2.gz OKRQAOCLADERJR-IBGZPJMESA-N 0 0 494.478 4.657 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)cc1)OCC(F)(F)F ZINC001458885626 1067186646 /nfs/dbraw/zinc/18/66/46/1067186646.db2.gz ISJGCPFVPOMALC-UHFFFAOYSA-N 0 0 457.246 4.758 20 0 JJADRN CCOC(=O)C1=C(COc2ccccc2C(F)(F)F)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001458886207 1067186662 /nfs/dbraw/zinc/18/66/62/1067186662.db2.gz CAYBESGTQLSYJH-SFHVURJKSA-N 0 0 454.832 4.609 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1Cc2ccccc2C1 ZINC001546033241 1067186812 /nfs/dbraw/zinc/18/68/12/1067186812.db2.gz RLNZWXUXHYYOOA-QFIPXVFZSA-N 0 0 497.684 4.547 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001545835381 1067187097 /nfs/dbraw/zinc/18/70/97/1067187097.db2.gz WEMACQQFEDZUKL-ROUUACIJSA-N 0 0 466.630 4.518 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001545835405 1067187193 /nfs/dbraw/zinc/18/71/93/1067187193.db2.gz WXKNNGOCZKTQEK-GHTZIAJQSA-N 0 0 461.676 4.654 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC1(SC)CC1 ZINC001545835373 1067187302 /nfs/dbraw/zinc/18/73/02/1067187302.db2.gz VYIZKHBSRNBFJY-UHFFFAOYSA-N 0 0 487.567 4.886 20 0 JJADRN O=C([C@H]1CCOc2ccc(Br)cc21)N1CCc2cc(Br)ccc2C1 ZINC001458887215 1067187172 /nfs/dbraw/zinc/18/71/72/1067187172.db2.gz OUXSUBNZAFPVSA-INIZCTEOSA-N 0 0 451.158 4.663 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)CCCCCNC(=O)OC(C)(C)C)c1C ZINC001451717659 1067187583 /nfs/dbraw/zinc/18/75/83/1067187583.db2.gz AFGDHWXVPSCNIW-UHFFFAOYSA-N 0 0 457.365 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CCC12CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)CC2 ZINC001451702978 1067187600 /nfs/dbraw/zinc/18/76/00/1067187600.db2.gz VUGDBDIBLGIKNM-ZWKOTPCHSA-N 0 0 454.489 4.691 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@@H](C)c1ccccc1 ZINC001545835491 1067187619 /nfs/dbraw/zinc/18/76/19/1067187619.db2.gz ZYMNEVHTBBCUGC-MRXNPFEDSA-N 0 0 488.430 4.992 20 0 JJADRN O=C(Nc1cnc2c(c1)CCCC2)c1ccc(I)c(Br)c1 ZINC001458891767 1067187728 /nfs/dbraw/zinc/18/77/28/1067187728.db2.gz IVYKSBCWSPAGEM-UHFFFAOYSA-N 0 0 457.109 4.580 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001545836146 1067188341 /nfs/dbraw/zinc/18/83/41/1067188341.db2.gz CZBABWRDJDCXGB-UXHICEINSA-N 0 0 478.641 4.586 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC1CCOCC1 ZINC001545836133 1067188467 /nfs/dbraw/zinc/18/84/67/1067188467.db2.gz COXSDFYTQYVAME-UHFFFAOYSA-N 0 0 481.563 4.668 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(F)c2)n1CCc1ccc(Cl)s1 ZINC001545836276 1067188829 /nfs/dbraw/zinc/18/88/29/1067188829.db2.gz HZGLXJADIXFIJD-UHFFFAOYSA-N 0 0 464.010 4.930 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c1C ZINC001451728077 1067188851 /nfs/dbraw/zinc/18/88/51/1067188851.db2.gz PITMQFYFBHKVMJ-UHFFFAOYSA-N 0 0 454.733 4.901 20 0 JJADRN Nc1c(F)cc(Br)cc1C(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC001451733899 1067188874 /nfs/dbraw/zinc/18/88/74/1067188874.db2.gz CJTBTPSHWUIBCK-ZDUSSCGKSA-N 0 0 456.153 4.780 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001545836238 1067188975 /nfs/dbraw/zinc/18/89/75/1067188975.db2.gz GYOBKIPFPWQAFB-XUZZJYLKSA-N 0 0 499.700 4.991 20 0 JJADRN O=C(Nc1cccc(C(=O)OCc2cn(-c3ccc(F)c(Cl)c3)nn2)c1)c1cccs1 ZINC001458896836 1067188930 /nfs/dbraw/zinc/18/89/30/1067188930.db2.gz ZRGBVGVRXGMTBC-UHFFFAOYSA-N 0 0 456.886 4.731 20 0 JJADRN O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001451730436 1067189002 /nfs/dbraw/zinc/18/90/02/1067189002.db2.gz GNCNDRASWMNRNC-UKRRQHHQSA-N 0 0 455.805 4.736 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC001451736744 1067189692 /nfs/dbraw/zinc/18/96/92/1067189692.db2.gz HHCDAQOEBKDVFE-DNVFCKCGSA-N 0 0 450.579 4.925 20 0 JJADRN CCCC[C@H](CC)Cn1c(SC[C@@]2(C)NC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 ZINC001458897147 1067189713 /nfs/dbraw/zinc/18/97/13/1067189713.db2.gz ZGYUYPRUDKPYAP-LHSJRXKWSA-N 0 0 450.008 4.505 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CC1(c2ccccc2C)CC1 ZINC001545837387 1067190832 /nfs/dbraw/zinc/19/08/32/1067190832.db2.gz AIHUAJSYKYIFNU-UHFFFAOYSA-N 0 0 451.640 4.935 20 0 JJADRN CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3ccnc(C(F)(F)F)c3)s2)c1 ZINC001458901954 1067190878 /nfs/dbraw/zinc/19/08/78/1067190878.db2.gz WHDYSNAIRNYUGA-UHFFFAOYSA-N 0 0 453.471 4.629 20 0 JJADRN CCN(CC(C)C)c1nc(CC(=O)Nc2ccc(N3CCCCC3)c(C(=O)OC)c2)cs1 ZINC001451742358 1067190853 /nfs/dbraw/zinc/19/08/53/1067190853.db2.gz YGAGHURDVSVUSS-UHFFFAOYSA-N 0 0 458.628 4.584 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)s2)cc1 ZINC001545838258 1067191323 /nfs/dbraw/zinc/19/13/23/1067191323.db2.gz IIHLJFRSHCCBAS-UHFFFAOYSA-N 0 0 459.612 4.928 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001545837858 1067191387 /nfs/dbraw/zinc/19/13/87/1067191387.db2.gz SQMBBVJFPYUZHB-UHFFFAOYSA-N 0 0 491.665 4.745 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001545838007 1067191429 /nfs/dbraw/zinc/19/14/29/1067191429.db2.gz YSXDFEYDCWMZSD-UHFFFAOYSA-N 0 0 483.638 4.601 20 0 JJADRN CCOc1c(Cl)cc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1OC ZINC001545838406 1067191454 /nfs/dbraw/zinc/19/14/54/1067191454.db2.gz MXTNITBBIHHDJE-UHFFFAOYSA-N 0 0 454.995 4.857 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cs1 ZINC001545838677 1067191963 /nfs/dbraw/zinc/19/19/63/1067191963.db2.gz ZMAZKHNALYDAOB-UHFFFAOYSA-N 0 0 459.612 4.928 20 0 JJADRN Cc1cc(C)c(CC(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c(C)c1Br ZINC001451796159 1067192100 /nfs/dbraw/zinc/19/21/00/1067192100.db2.gz GDOFCESQRMWRRB-QGZVFWFLSA-N 0 0 457.409 4.514 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1[C@H]1C[C@H](c2ccccc2C)C1 ZINC001545838767 1067192038 /nfs/dbraw/zinc/19/20/38/1067192038.db2.gz CVLVMRADPODXEQ-UAPYVXQJSA-N 0 0 484.048 4.647 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1nc2cc(F)c(Br)cc2s1 ZINC001458907637 1067192412 /nfs/dbraw/zinc/19/24/12/1067192412.db2.gz KAGBVWKDMCTNET-ZDUSSCGKSA-N 0 0 458.353 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccsc2)n1Cc1ccc2[nH]c(C)cc2c1 ZINC001545839089 1067192685 /nfs/dbraw/zinc/19/26/85/1067192685.db2.gz OXNGYTAWGNHCRJ-UHFFFAOYSA-N 0 0 450.612 4.732 20 0 JJADRN CCCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)[C@@H](CC)C(=O)OCC ZINC001458908529 1067193012 /nfs/dbraw/zinc/19/30/12/1067193012.db2.gz CLTYKKKWZIHFMW-INIZCTEOSA-N 0 0 455.386 4.891 20 0 JJADRN Cn1ncnc1-c1ccc(OC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC001458908517 1067193076 /nfs/dbraw/zinc/19/30/76/1067193076.db2.gz CLAACRFIUURRPF-UHFFFAOYSA-N 0 0 458.305 4.767 20 0 JJADRN CC1(c2cccc(Br)c2)CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC001545839597 1067193307 /nfs/dbraw/zinc/19/33/07/1067193307.db2.gz GRDAXXXXSYMQKB-UHFFFAOYSA-N 0 0 454.162 4.506 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1 ZINC001458908721 1067193728 /nfs/dbraw/zinc/19/37/28/1067193728.db2.gz DNOIXBUUYFNNRZ-QZTJIDSGSA-N 0 0 456.533 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCCO2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545841273 1067193866 /nfs/dbraw/zinc/19/38/66/1067193866.db2.gz ZVFKUQHKGKHPEU-FAFZWHIHSA-N 0 0 473.584 4.571 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CC)O1 ZINC001451856184 1067193887 /nfs/dbraw/zinc/19/38/87/1067193887.db2.gz YGCPCPNYDSOEHG-AQNXPRMDSA-N 0 0 450.579 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)NC2(c3cccc(Br)c3)CCCCC2)C1 ZINC001451825234 1067193986 /nfs/dbraw/zinc/19/39/86/1067193986.db2.gz VNJJFDSFVGOYRQ-UHFFFAOYSA-N 0 0 451.405 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1nc2cccc(Cl)c2n1C ZINC001545841012 1067193914 /nfs/dbraw/zinc/19/39/14/1067193914.db2.gz SLXLLZXULBEFMN-QGZVFWFLSA-N 0 0 484.048 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545840975 1067193965 /nfs/dbraw/zinc/19/39/65/1067193965.db2.gz RKKIQPGPOXOLGU-SFHVURJKSA-N 0 0 467.614 4.545 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2nc3cc(F)c(Br)cc3s2)C1 ZINC001458912527 1067194865 /nfs/dbraw/zinc/19/48/65/1067194865.db2.gz SZVSAPHRGFUIIL-GOSISDBHSA-N 0 0 458.353 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccccc1C(F)(F)F ZINC001545842225 1067195027 /nfs/dbraw/zinc/19/50/27/1067195027.db2.gz QEZGYJBVWZZUOR-UHFFFAOYSA-N 0 0 465.442 4.652 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CC(C)(C)c1cccs1 ZINC001545842244 1067195075 /nfs/dbraw/zinc/19/50/75/1067195075.db2.gz 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COc1ccc(CCC(=O)N(C)Cc2cc(Br)ccc2Cl)c(OC)c1OC ZINC001458931207 1067200677 /nfs/dbraw/zinc/20/06/77/1067200677.db2.gz NLNBZAPXFCMWEK-UHFFFAOYSA-N 0 0 456.764 4.720 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3ncoc3-c3ccccc3Cl)c2)n1 ZINC001458930275 1067200690 /nfs/dbraw/zinc/20/06/90/1067200690.db2.gz KDAJIBGXHPWQAS-UHFFFAOYSA-N 0 0 453.907 4.835 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001545848797 1067201071 /nfs/dbraw/zinc/20/10/71/1067201071.db2.gz GMWGXZBOUCGXCH-MSOLQXFVSA-N 0 0 459.610 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1cc(-c2ccccc2)no1 ZINC001545848769 1067201114 /nfs/dbraw/zinc/20/11/14/1067201114.db2.gz GDBNKPGLQINWGK-YLJYHZDGSA-N 0 0 450.587 4.525 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001545848846 1067201138 /nfs/dbraw/zinc/20/11/38/1067201138.db2.gz GZKXRZDVWXKKME-MOPGFXCFSA-N 0 0 483.657 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001545848713 1067201204 /nfs/dbraw/zinc/20/12/04/1067201204.db2.gz FEUAKCZVCNNFEA-ZCNNSNEGSA-N 0 0 453.631 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001545848798 1067201216 /nfs/dbraw/zinc/20/12/16/1067201216.db2.gz GMWGXZBOUCGXCH-QZTJIDSGSA-N 0 0 459.610 4.676 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001451953524 1067201212 /nfs/dbraw/zinc/20/12/12/1067201212.db2.gz VAKLITUGXJXDNL-HBGVWJBISA-N 0 0 453.583 4.652 20 0 JJADRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC001458932781 1067201231 /nfs/dbraw/zinc/20/12/31/1067201231.db2.gz FWGQIOXOYQSWJY-INIZCTEOSA-N 0 0 458.868 4.987 20 0 JJADRN COc1cc(NC(=O)Cn2c(C)nc3ccccc32)c(Br)cc1Br ZINC001458933576 1067201242 /nfs/dbraw/zinc/20/12/42/1067201242.db2.gz RPIAOIBCGUBHDR-UHFFFAOYSA-N 0 0 453.134 4.517 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cc(Br)ccc3OC(F)(F)F)n[nH]2)cc1 ZINC001451977928 1067201699 /nfs/dbraw/zinc/20/16/99/1067201699.db2.gz WYIXELBCBIPRNA-UHFFFAOYSA-N 0 0 456.218 4.999 20 0 JJADRN O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1nc(-c2c(F)cccc2F)cs1 ZINC001458934774 1067201789 /nfs/dbraw/zinc/20/17/89/1067201789.db2.gz KWXXDMJUXORJGU-LJQANCHMSA-N 0 0 453.392 4.598 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC1(c2ccccn2)CCC1 ZINC001545849103 1067202190 /nfs/dbraw/zinc/20/21/90/1067202190.db2.gz KGPQOVGOTLRCDB-IBGZPJMESA-N 0 0 452.647 4.586 20 0 JJADRN COc1cc(NC(=O)COc2ccc(F)c(F)c2)c(Br)cc1Br ZINC001458935979 1067202270 /nfs/dbraw/zinc/20/22/70/1067202270.db2.gz WNYGKMHYXYMNHS-UHFFFAOYSA-N 0 0 451.061 4.516 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1nc2ccc(Br)cn2c1F ZINC001451990953 1067202372 /nfs/dbraw/zinc/20/23/72/1067202372.db2.gz IURKDJCKOCZSCN-UHFFFAOYSA-N 0 0 458.253 4.960 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001451981650 1067202389 /nfs/dbraw/zinc/20/23/89/1067202389.db2.gz 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2F)o1 ZINC001458944646 1067204373 /nfs/dbraw/zinc/20/43/73/1067204373.db2.gz UNZOYEZADSRZHK-MRXNPFEDSA-N 0 0 451.527 4.721 20 0 JJADRN COc1cccc(-c2cc(C(=O)N3CC4(C[C@H]3C)CCN(C(=O)OC(C)(C)C)CC4)on2)c1 ZINC001452036662 1067204668 /nfs/dbraw/zinc/20/46/68/1067204668.db2.gz VYTCAAOZBDZJGA-QGZVFWFLSA-N 0 0 455.555 4.602 20 0 JJADRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)[nH]c(=O)c1 ZINC001452043806 1067204753 /nfs/dbraw/zinc/20/47/53/1067204753.db2.gz HZHMZRKDERISIM-UHFFFAOYSA-N 0 0 459.527 4.816 20 0 JJADRN CCOC(=O)C(=C(O)CSc1nccn1-c1c(CC)cccc1CC)c1nc(C)cs1 ZINC001458946172 1067204781 /nfs/dbraw/zinc/20/47/81/1067204781.db2.gz VJSAWCYTZLGDMQ-LJQANCHMSA-N 0 0 457.621 4.770 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc2)nn1 ZINC001458945999 1067204803 /nfs/dbraw/zinc/20/48/03/1067204803.db2.gz NUUORHCJOSXCJG-UHFFFAOYSA-N 0 0 454.530 4.556 20 0 JJADRN CCCc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cnn1-c1ccccc1C 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CCc1c(NC(=O)Cc2ccc3c(c2)OC(F)(F)O3)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458957930 1067208467 /nfs/dbraw/zinc/20/84/67/1067208467.db2.gz XFQONGQJZGFXSM-UHFFFAOYSA-N 0 0 453.367 4.956 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001458956321 1067208478 /nfs/dbraw/zinc/20/84/78/1067208478.db2.gz IEBIHQUQFZMVNN-SNVBAGLBSA-N 0 0 451.957 4.655 20 0 JJADRN COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)cn1 ZINC001458957043 1067208532 /nfs/dbraw/zinc/20/85/32/1067208532.db2.gz OHSISCHXQUUJEY-UHFFFAOYSA-N 0 0 451.596 4.955 20 0 JJADRN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC001452141755 1067208894 /nfs/dbraw/zinc/20/88/94/1067208894.db2.gz AFSSTIGBTSUNQH-UHFFFAOYSA-N 0 0 454.258 4.590 20 0 JJADRN Cc1cccc(NC(=O)NC(=O)CSc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)c1C ZINC001458960624 1067209584 /nfs/dbraw/zinc/20/95/84/1067209584.db2.gz QWJWBUOTLAIRNK-UHFFFAOYSA-N 0 0 450.351 4.836 20 0 JJADRN Cc1cc(C(=O)CSC[C@@H](C)CO)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC001458961661 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454.303 4.895 20 0 JJADRN COC(=O)c1cccc2c1CN(C(=O)c1c(C)nn(Cc3ccccc3Cl)c1Cl)CC2 ZINC001452190326 1067213265 /nfs/dbraw/zinc/21/32/65/1067213265.db2.gz KBPZHPNOSWIWFN-UHFFFAOYSA-N 0 0 458.345 4.532 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)C1CC1 ZINC001458971816 1067213573 /nfs/dbraw/zinc/21/35/73/1067213573.db2.gz GJSSKDGYGZLTHG-UHFFFAOYSA-N 0 0 450.461 4.891 20 0 JJADRN C/C(=C\c1ccccc1)CN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001458971111 1067213730 /nfs/dbraw/zinc/21/37/30/1067213730.db2.gz YTSJRLFQDCQAHW-LSDHQDQOSA-N 0 0 454.636 4.746 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 ZINC001546036845 1067214144 /nfs/dbraw/zinc/21/41/44/1067214144.db2.gz LINVHDGOXCYNCP-UHFFFAOYSA-N 0 0 485.076 4.803 20 0 JJADRN Cn1c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1cccc(Cl)c1 ZINC001458975990 1067214914 /nfs/dbraw/zinc/21/49/14/1067214914.db2.gz FAXKHELOPCGQIQ-UHFFFAOYSA-N 0 0 450.029 4.999 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C3CC3)s1)C[C@H](C)CC2 ZINC001458976821 1067215349 /nfs/dbraw/zinc/21/53/49/1067215349.db2.gz BVIOENIYNUMVLC-GHMZBOCLSA-N 0 0 451.639 4.898 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)nn1-c1ccc(Cl)cc1Cl ZINC001452259362 1067216167 /nfs/dbraw/zinc/21/61/67/1067216167.db2.gz XERFAWXJUMVCOM-CJNGLKHVSA-N 0 0 452.382 4.927 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N(Cc3ccccc3)[C@H](CO)C3CCC3)c2C1 ZINC001452255000 1067216186 /nfs/dbraw/zinc/21/61/86/1067216186.db2.gz XGPAABNUGCFHEO-XMMPIXPASA-N 0 0 450.579 4.741 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001452246927 1067216200 /nfs/dbraw/zinc/21/62/00/1067216200.db2.gz NEEYQOVUEXNQEC-QFIPXVFZSA-N 0 0 459.468 4.779 20 0 JJADRN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001458978574 1067216224 /nfs/dbraw/zinc/21/62/24/1067216224.db2.gz NKLUSBUGEXGWDK-JTQLQIEISA-N 0 0 452.870 4.576 20 0 JJADRN O=C(c1ccc(OC(F)F)c(Br)c1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001452246975 1067216404 /nfs/dbraw/zinc/21/64/04/1067216404.db2.gz NGFIMHXVJUWAAC-SFHVURJKSA-N 0 0 454.311 4.854 20 0 JJADRN Cn1c(SCC(=O)N(Cc2ccccc2)CC(F)(F)F)nnc1-c1cccc(Cl)c1 ZINC001458980645 1067216698 /nfs/dbraw/zinc/21/66/98/1067216698.db2.gz UKWPLZUPSWJCTA-UHFFFAOYSA-N 0 0 454.905 4.819 20 0 JJADRN C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)N(C)Cc1cccc(F)c1 ZINC001458981613 1067217057 /nfs/dbraw/zinc/21/70/57/1067217057.db2.gz ZTTRMGMWARDJJO-OAHLLOKOSA-N 0 0 456.568 4.926 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1F ZINC001452267431 1067217149 /nfs/dbraw/zinc/21/71/49/1067217149.db2.gz IXZOFQNJTHPHPZ-LEWJYISDSA-N 0 0 479.552 4.701 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Oc2cc(F)cc(I)c2)cc1 ZINC001458982392 1067217686 /nfs/dbraw/zinc/21/76/86/1067217686.db2.gz NCRLKKXTRIRSDU-UHFFFAOYSA-N 0 0 455.267 4.522 20 0 JJADRN C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001458983533 1067218705 /nfs/dbraw/zinc/21/87/05/1067218705.db2.gz PZRPUWSKRDIAKX-CQSZACIVSA-N 0 0 458.527 4.700 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285668 1067218793 /nfs/dbraw/zinc/21/87/93/1067218793.db2.gz DYNKNJLFGLPIQS-CDVVCGDMSA-N 0 0 454.489 4.864 20 0 JJADRN O=C(C[C@@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1)NCc1ccc(F)cc1 ZINC001452286619 1067218825 /nfs/dbraw/zinc/21/88/25/1067218825.db2.gz XWCWVROFHDTZEE-KRWDZBQOSA-N 0 0 455.530 4.647 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285670 1067218903 /nfs/dbraw/zinc/21/89/03/1067218903.db2.gz DYNKNJLFGLPIQS-KQQSKNTNSA-N 0 0 454.489 4.864 20 0 JJADRN CCC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC001452320425 1067219341 /nfs/dbraw/zinc/21/93/41/1067219341.db2.gz CGMXDBOCSSENRB-QFIPXVFZSA-N 0 0 453.579 4.948 20 0 JJADRN CCOC(=O)[C@@H](CC)S[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC001458985774 1067219606 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ALUUTONGDGUVBK-CQSZACIVSA-N 0 0 452.511 4.541 20 0 JJADRN CN(C(=O)CSc1nnc(COc2ccccc2)n1C)C(c1ccccc1)c1ccccc1 ZINC001458986230 1067220034 /nfs/dbraw/zinc/22/00/34/1067220034.db2.gz RSSIJQQCRORZFN-UHFFFAOYSA-N 0 0 458.587 4.734 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC(F)(F)F)C1 ZINC001546104906 1067220197 /nfs/dbraw/zinc/22/01/97/1067220197.db2.gz NBGNSRUHBDSFCO-HNNXBMFYSA-N 0 0 483.604 4.826 20 0 JJADRN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC)cc1 ZINC001458986361 1067220207 /nfs/dbraw/zinc/22/02/07/1067220207.db2.gz QTKZBSWPPPOXSF-UHFFFAOYSA-N 0 0 456.543 4.792 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3c[nH]nc3C(=O)OC(C)(C)C)cc12 ZINC001452341410 1067220384 /nfs/dbraw/zinc/22/03/84/1067220384.db2.gz GZEJGDDIKYWXHU-UHFFFAOYSA-N 0 0 457.943 4.980 20 0 JJADRN O=C(Nc1ccnc(OCc2ccccc2)c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001452394499 1067221409 /nfs/dbraw/zinc/22/14/09/1067221409.db2.gz BTDBCQREYDXUNE-SFHVURJKSA-N 0 0 456.329 4.959 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC001458989290 1067221630 /nfs/dbraw/zinc/22/16/30/1067221630.db2.gz LLMNUWLCCXWIIY-QFIPXVFZSA-N 0 0 456.608 4.514 20 0 JJADRN COc1cc(/C=C/C(=O)NC[C@@H]2CCC3(CCCCC3)O2)ccc1OCc1c(C)noc1C ZINC001458989913 1067221671 /nfs/dbraw/zinc/22/16/71/1067221671.db2.gz OKQMYWFNCAFUJV-DJGBTNNQSA-N 0 0 454.567 4.890 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1ncco1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001452401829 1067221833 /nfs/dbraw/zinc/22/18/33/1067221833.db2.gz IOLLNSMCLWQLSV-WOJBJXKFSA-N 0 0 458.345 4.686 20 0 JJADRN CCCOc1ccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)cc1OCCC ZINC001452412511 1067221848 /nfs/dbraw/zinc/22/18/48/1067221848.db2.gz IHALBCMVJPMXQW-JOCHJYFZSA-N 0 0 450.373 4.664 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC001452414119 1067222301 /nfs/dbraw/zinc/22/23/01/1067222301.db2.gz CDMJWXCIVVQZHS-IBGZPJMESA-N 0 0 457.459 4.529 20 0 JJADRN C[C@](CO)(NC(=O)CCCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001452414320 1067222418 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0 450.926 4.670 20 0 JJADRN O=c1c(Br)nn(Cc2coc(-c3ccccc3C(F)(F)F)n2)c2ccccc12 ZINC001458996241 1067224409 /nfs/dbraw/zinc/22/44/09/1067224409.db2.gz MYEUHJSSJYXPDH-UHFFFAOYSA-N 0 0 450.214 4.881 20 0 JJADRN C[C@@H](C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1ccc(Br)s1 ZINC001452440153 1067224316 /nfs/dbraw/zinc/22/43/16/1067224316.db2.gz VIKURZGZYLKBNX-CYBMUJFWSA-N 0 0 456.369 4.888 20 0 JJADRN Cc1c(NC(=O)c2ccc(-c3cncnc3)cc2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001458997412 1067224868 /nfs/dbraw/zinc/22/48/68/1067224868.db2.gz IEPNRTNPJUOVRG-UHFFFAOYSA-N 0 0 456.403 4.502 20 0 JJADRN COc1ccccc1NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(C)C ZINC001458999035 1067225271 /nfs/dbraw/zinc/22/52/71/1067225271.db2.gz SUTFLFMAEBHVDD-FQEVSTJZSA-N 0 0 452.536 4.943 20 0 JJADRN O=C(CCN1C(=O)CCc2cc(F)ccc21)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC001458998396 1067225386 /nfs/dbraw/zinc/22/53/86/1067225386.db2.gz LMTADHGDSNSEHV-UHFFFAOYSA-N 0 0 459.237 4.915 20 0 JJADRN CC(C)c1nc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)nn1-c1ccccc1F ZINC001452456358 1067225351 /nfs/dbraw/zinc/22/53/51/1067225351.db2.gz GTNCIWDWYJEKBW-JOCHJYFZSA-N 0 0 450.558 4.944 20 0 JJADRN COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3OC)nnc2-c2ccco2)cc1 ZINC001459000863 1067226296 /nfs/dbraw/zinc/22/62/96/1067226296.db2.gz ZZYUTRJWHNXEDX-OAHLLOKOSA-N 0 0 450.520 4.664 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 ZINC001459000679 1067226313 /nfs/dbraw/zinc/22/63/13/1067226313.db2.gz REVPQGOMUOUDKV-UHFFFAOYSA-N 0 0 451.836 4.518 20 0 JJADRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)C2(c3ccc(C)cc3Br)CCCCC2)C1 ZINC001452478921 1067226270 /nfs/dbraw/zinc/22/62/70/1067226270.db2.gz GMYVEMKLCVASKR-LPHOPBHVSA-N 0 0 454.380 4.709 20 0 JJADRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3Br)CCCCC2)C1 ZINC001452478931 1067226693 /nfs/dbraw/zinc/22/66/93/1067226693.db2.gz GMYVEMKLCVASKR-VQIMIIECSA-N 0 0 454.380 4.709 20 0 JJADRN COc1cccc2nc(NC(=O)c3ncoc3C3CCN(C(=O)OC(C)(C)C)CC3)sc21 ZINC001452484057 1067226869 /nfs/dbraw/zinc/22/68/69/1067226869.db2.gz IGRCBCAYNDUXCF-UHFFFAOYSA-N 0 0 458.540 4.660 20 0 JJADRN CCC(=O)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(F)c1 ZINC001459003169 1067226827 /nfs/dbraw/zinc/22/68/27/1067226827.db2.gz WCPGHKWRUGTGJK-UHFFFAOYSA-N 0 0 455.507 4.863 20 0 JJADRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC001452489355 1067227183 /nfs/dbraw/zinc/22/71/83/1067227183.db2.gz WTVOORXFJSMXLR-QVKFZJNVSA-N 0 0 459.514 4.983 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3ccccn3)c2)cc1 ZINC001452487362 1067227307 /nfs/dbraw/zinc/22/73/07/1067227307.db2.gz GDIDBFJZSAOGCG-LJQANCHMSA-N 0 0 451.592 4.586 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459005191 1067227731 /nfs/dbraw/zinc/22/77/31/1067227731.db2.gz MWWUAYGMVPZZLH-AWEZNQCLSA-N 0 0 454.311 4.702 20 0 JJADRN Cc1cccc(C(=O)NCCCc2nc(-c3ccccn3)cs2)c1NC(=O)c1ccncc1 ZINC001452494519 1067228120 /nfs/dbraw/zinc/22/81/20/1067228120.db2.gz MSTDNTVASJLPHW-UHFFFAOYSA-N 0 0 457.559 4.523 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCc1nc(-c2ccccn2)cs1 ZINC001452494465 1067228199 /nfs/dbraw/zinc/22/81/99/1067228199.db2.gz MHIPPASMTTYYCQ-UHFFFAOYSA-N 0 0 455.381 4.740 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452495244 1067228275 /nfs/dbraw/zinc/22/82/75/1067228275.db2.gz KGWGYWNUFQGFNV-QXCZDIPSSA-N 0 0 452.636 4.579 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(Cc3csc(COc4ccc(Cl)cc4)n3)C2=O)c(C)c1 ZINC001459011273 1067228746 /nfs/dbraw/zinc/22/87/46/1067228746.db2.gz SFGJFTJNHISESX-QHCPKHFHSA-N 0 0 455.967 4.960 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)O[C@H]1CCOC1 ZINC001452498051 1067229034 /nfs/dbraw/zinc/22/90/34/1067229034.db2.gz JELAFAJVBZIXDU-QXWFJRNPSA-N 0 0 457.998 4.973 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc(Cl)cc1C(F)(F)F ZINC001459013988 1067229218 /nfs/dbraw/zinc/22/92/18/1067229218.db2.gz GOIABGMJAGJMAE-UHFFFAOYSA-N 0 0 458.864 4.624 20 0 JJADRN CCOC(OCC)c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1C ZINC001459014719 1067229302 /nfs/dbraw/zinc/22/93/02/1067229302.db2.gz ITVZYFNOYFRTBV-UHFFFAOYSA-N 0 0 453.779 4.578 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC001452503387 1067230155 /nfs/dbraw/zinc/23/01/55/1067230155.db2.gz OCEGUCLAFQRCHH-UHFFFAOYSA-N 0 0 454.390 4.810 20 0 JJADRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSC1=N[C@H](C)CS1 ZINC001459018375 1067230291 /nfs/dbraw/zinc/23/02/91/1067230291.db2.gz OUUWOZQVQDLTSR-GFCCVEGCSA-N 0 0 450.607 4.763 20 0 JJADRN O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459018744 1067230350 /nfs/dbraw/zinc/23/03/50/1067230350.db2.gz YRQHZYQTDFVXTQ-UHFFFAOYSA-N 0 0 451.797 4.852 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(F)cc(F)c2Br)nnc1-c1cccs1 ZINC001459023848 1067230742 /nfs/dbraw/zinc/23/07/42/1067230742.db2.gz IPWRVASPXCAPGT-UHFFFAOYSA-N 0 0 459.341 4.798 20 0 JJADRN COC(=O)c1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)c(Br)c1 ZINC001459024511 1067231197 /nfs/dbraw/zinc/23/11/97/1067231197.db2.gz ISXVCIATWVLHRU-UHFFFAOYSA-N 0 0 454.748 4.673 20 0 JJADRN O=c1c2c(ncn1CC/C=C\c1ccc(Br)cc1)CN(Cc1ccccc1)CC2 ZINC001459024692 1067231229 /nfs/dbraw/zinc/23/12/29/1067231229.db2.gz AFMYKZHQQVHZTI-XQRVVYSFSA-N 0 0 450.380 4.668 20 0 JJADRN CO[C@H](CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(F)(F)F ZINC001459024675 1067231335 /nfs/dbraw/zinc/23/13/35/1067231335.db2.gz MLGOICOHDOKDHW-LJQANCHMSA-N 0 0 451.876 4.949 20 0 JJADRN O=C(NC[C@@H]1CCC=CO1)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC001459024666 1067231404 /nfs/dbraw/zinc/23/14/04/1067231404.db2.gz MFGPXEMYBZPNEP-HNNXBMFYSA-N 0 0 459.390 4.821 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)c(Br)c1 ZINC001459027089 1067231734 /nfs/dbraw/zinc/23/17/34/1067231734.db2.gz RQZSGOADUHDBOR-UHFFFAOYSA-N 0 0 458.333 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1cc(F)cc(F)c1Br ZINC001459026335 1067231838 /nfs/dbraw/zinc/23/18/38/1067231838.db2.gz XWKSZFUHJLHKQO-MRXNPFEDSA-N 0 0 457.271 4.793 20 0 JJADRN Cc1ccc(CNC(=O)Cc2ccc(Br)c(Cl)c2)c(-n2cc(Cl)cn2)n1 ZINC001459027477 1067232270 /nfs/dbraw/zinc/23/22/70/1067232270.db2.gz BYINGSOOMUKAIE-UHFFFAOYSA-N 0 0 454.155 4.504 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001459028971 1067232763 /nfs/dbraw/zinc/23/27/63/1067232763.db2.gz FFEOIQNGZOAOQA-ASUYLVSUSA-N 0 0 450.760 4.957 20 0 JJADRN CC(C)Nc1cccc(F)c1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC001452534857 1067232686 /nfs/dbraw/zinc/23/26/86/1067232686.db2.gz ULFFHMVXMYPRMF-UHFFFAOYSA-N 0 0 457.365 4.601 20 0 JJADRN CC(C)(C)C(=O)CCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105704 1067232768 /nfs/dbraw/zinc/23/27/68/1067232768.db2.gz SWFNIVYVEHHRHR-UHFFFAOYSA-N 0 0 452.960 4.570 20 0 JJADRN CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001546040166 1067233053 /nfs/dbraw/zinc/23/30/53/1067233053.db2.gz YDUHWBMINWGULV-UHFFFAOYSA-N 0 0 494.480 4.772 20 0 JJADRN CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2ccsc2)CC1 ZINC001546040214 1067233187 /nfs/dbraw/zinc/23/31/87/1067233187.db2.gz ZVCLSDJSSCZKNG-UHFFFAOYSA-N 0 0 454.640 4.896 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001452541946 1067233268 /nfs/dbraw/zinc/23/32/68/1067233268.db2.gz SKIOSXOWVXKSND-HNNXBMFYSA-N 0 0 451.405 4.628 20 0 JJADRN C[C@@H]1C(=O)Nc2cc(C(=O)NCC3(c4cc(C(F)(F)F)ccc4Cl)CC3)ccc2N1C ZINC001459030420 1067233402 /nfs/dbraw/zinc/23/34/02/1067233402.db2.gz OKYBQVSMQCTWOO-GFCCVEGCSA-N 0 0 451.876 4.597 20 0 JJADRN CCCc1c(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)nnn1-c1cccc(C(C)C)c1 ZINC001452555275 1067233663 /nfs/dbraw/zinc/23/36/63/1067233663.db2.gz BZQZLCHWNMZXSS-HSZRJFAPSA-N 0 0 454.615 4.593 20 0 JJADRN CC(C)c1nc([C@H](CO)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cs1 ZINC001452561032 1067234139 /nfs/dbraw/zinc/23/41/39/1067234139.db2.gz GZNFXVNRNFRQQN-SFHVURJKSA-N 0 0 452.605 4.703 20 0 JJADRN CC(C)[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1(CO)CC=CC1 ZINC001452560173 1067234252 /nfs/dbraw/zinc/23/42/52/1067234252.db2.gz CRXGIUZFGKEUOA-OAQYLSRUSA-N 0 0 458.628 4.605 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)nn1)CCCC2 ZINC001459031426 1067234229 /nfs/dbraw/zinc/23/42/29/1067234229.db2.gz HJPRPEOJSSEADG-SNVBAGLBSA-N 0 0 459.515 4.732 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC001459032374 1067234241 /nfs/dbraw/zinc/23/42/41/1067234241.db2.gz IYDBIRBUVPOVIC-NSHDSACASA-N 0 0 456.178 4.777 20 0 JJADRN Cc1c[nH]c(-c2ccc(NC(=O)c3nn(-c4ccccc4C(F)(F)F)c(C)cc3=O)cc2)n1 ZINC001452568574 1067234670 /nfs/dbraw/zinc/23/46/70/1067234670.db2.gz RVJJSGFJMHYEFN-UHFFFAOYSA-N 0 0 453.424 4.511 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)C12CCC2 ZINC001452562140 1067234695 /nfs/dbraw/zinc/23/46/95/1067234695.db2.gz GRBMRTQAHMPMDY-VQTJNVASSA-N 0 0 452.599 4.871 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001459033317 1067234901 /nfs/dbraw/zinc/23/49/01/1067234901.db2.gz MBNVYSPTPXQGGO-IIBYNOLFSA-N 0 0 454.979 4.934 20 0 JJADRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001459036285 1067235702 /nfs/dbraw/zinc/23/57/02/1067235702.db2.gz PHLHELVHQIEZFJ-KRWDZBQOSA-N 0 0 452.904 4.845 20 0 JJADRN O=c1c(I)cc(F)cn1Cc1cccc(SCc2ccccc2)c1 ZINC001459035768 1067235796 /nfs/dbraw/zinc/23/57/96/1067235796.db2.gz BKLMPKYBDRXYTM-UHFFFAOYSA-N 0 0 451.304 4.933 20 0 JJADRN C[C@@H](OCCCNC(=O)CSCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001459039118 1067236298 /nfs/dbraw/zinc/23/62/98/1067236298.db2.gz UAIRXXRSRHWVFJ-LJQANCHMSA-N 0 0 450.645 4.651 20 0 JJADRN Cc1ccc2ccnc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)c2c1 ZINC001452613230 1067236934 /nfs/dbraw/zinc/23/69/34/1067236934.db2.gz FFHCWDNNMFOJSQ-UHFFFAOYSA-N 0 0 453.470 4.875 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@H](Sc2nccn2-c2ccc(OC)cc2C)C(C)C)cc1 ZINC001459041163 1067237264 /nfs/dbraw/zinc/23/72/64/1067237264.db2.gz NDZPGKDASTZJJH-HSZRJFAPSA-N 0 0 453.608 4.973 20 0 JJADRN COCc1c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)sc2cccc(F)c21 ZINC001452614326 1067237280 /nfs/dbraw/zinc/23/72/80/1067237280.db2.gz VDNFSXOQMOZQBQ-JKSUJKDBSA-N 0 0 461.942 4.869 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452613734 1067237287 /nfs/dbraw/zinc/23/72/87/1067237287.db2.gz RIXNBVSWGCEVDX-PNHOKKKMSA-N 0 0 453.888 4.953 20 0 JJADRN CC(=O)N(c1nc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1 ZINC001459043402 1067237710 /nfs/dbraw/zinc/23/77/10/1067237710.db2.gz YROPIUPNONASKC-UHFFFAOYSA-N 0 0 458.458 4.960 20 0 JJADRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1[nH]ncc1I ZINC001546040884 1067237755 /nfs/dbraw/zinc/23/77/55/1067237755.db2.gz NVTCNRWJBIVVTQ-MJGOQNOKSA-N 0 0 457.315 4.606 20 0 JJADRN C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001459046321 1067238416 /nfs/dbraw/zinc/23/84/16/1067238416.db2.gz UWLIOKDPZYTJIK-OAHLLOKOSA-N 0 0 450.808 4.672 20 0 JJADRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001459045635 1067238431 /nfs/dbraw/zinc/23/84/31/1067238431.db2.gz JHRBUZDZOQZZGJ-KRWDZBQOSA-N 0 0 458.814 4.978 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1scnc1C1CC1 ZINC001459048191 1067238818 /nfs/dbraw/zinc/23/88/18/1067238818.db2.gz QTIYLIDTZYZSQZ-OAHLLOKOSA-N 0 0 451.386 4.613 20 0 JJADRN CC1CCC(OCC(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)CC1 ZINC001459048162 1067238880 /nfs/dbraw/zinc/23/88/80/1067238880.db2.gz QPRDQNIIORWZMV-KVZIAJEVSA-N 0 0 454.405 4.561 20 0 JJADRN CN1CCN(c2ccc(NC(=O)CCCc3ccccc3Cl)cc2Br)CC1 ZINC001459047210 1067238887 /nfs/dbraw/zinc/23/88/87/1067238887.db2.gz XGGDZSXGQFIQAI-UHFFFAOYSA-N 0 0 450.808 4.816 20 0 JJADRN Cc1ccccc1CCc1cc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)n[nH]1 ZINC001452636931 1067238848 /nfs/dbraw/zinc/23/88/48/1067238848.db2.gz XBVKPKVMKZKKKY-OAQYLSRUSA-N 0 0 452.599 4.869 20 0 JJADRN Cc1nc(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)nn1-c1c(Cl)cccc1Cl ZINC001452636967 1067238949 /nfs/dbraw/zinc/23/89/49/1067238949.db2.gz XJQRLHUSCQLNMY-UHFFFAOYSA-N 0 0 455.349 4.952 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001546106074 1067239311 /nfs/dbraw/zinc/23/93/11/1067239311.db2.gz HXRSRFJVCKVNOB-UHFFFAOYSA-N 0 0 453.631 4.763 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cnc(C2CC2)s1 ZINC001459051558 1067239687 /nfs/dbraw/zinc/23/96/87/1067239687.db2.gz XXWXMXNUGXTLAW-HNNXBMFYSA-N 0 0 451.386 4.613 20 0 JJADRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(Br)cn2ccnc12 ZINC001459051013 1067239733 /nfs/dbraw/zinc/23/97/33/1067239733.db2.gz XLSJJJMYWAANTI-UHFFFAOYSA-N 0 0 456.237 4.716 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459054297 1067240036 /nfs/dbraw/zinc/24/00/36/1067240036.db2.gz URDKYCZWZORQIS-YVEFUNNKSA-N 0 0 454.445 4.813 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001546041625 1067240418 /nfs/dbraw/zinc/24/04/18/1067240418.db2.gz ISPIOJVNQJLCFU-CVEARBPZSA-N 0 0 483.476 4.501 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F ZINC001459055695 1067240434 /nfs/dbraw/zinc/24/04/34/1067240434.db2.gz XTPXXMCSXWEIID-LJQANCHMSA-N 0 0 458.402 4.538 20 0 JJADRN COc1ccc(-c2ccn(-c3ccc(S[C@@H](C)C(=O)N(C)C4CCCCC4)nn3)n2)cc1 ZINC001459054573 1067240452 /nfs/dbraw/zinc/24/04/52/1067240452.db2.gz AKBUOZDFYHQDCS-KRWDZBQOSA-N 0 0 451.596 4.610 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)c2occc2C)C1 ZINC001546106093 1067240516 /nfs/dbraw/zinc/24/05/16/1067240516.db2.gz IUMOBBVCXBSCFB-UHFFFAOYSA-N 0 0 465.598 4.692 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001459056273 1067240789 /nfs/dbraw/zinc/24/07/89/1067240789.db2.gz YSDGIOQYGXWMRC-JPYJTQIMSA-N 0 0 452.517 4.890 20 0 JJADRN O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001459056340 1067240856 /nfs/dbraw/zinc/24/08/56/1067240856.db2.gz ZSPWOZRFZGNYBK-IZZDOVSWSA-N 0 0 456.508 4.805 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001459056341 1067240956 /nfs/dbraw/zinc/24/09/56/1067240956.db2.gz ZSPWOZRFZGNYBK-WDZFZDKYSA-N 0 0 456.508 4.805 20 0 JJADRN CCC(O)(CC)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC001546041748 1067240808 /nfs/dbraw/zinc/24/08/08/1067240808.db2.gz MOAFZWRYRAUQEC-UHFFFAOYSA-N 0 0 493.652 4.776 20 0 JJADRN COc1cccc2c1OCC[C@@H]2NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001452653216 1067240900 /nfs/dbraw/zinc/24/09/00/1067240900.db2.gz MBWBWIFFGYNQRP-PXNSSMCTSA-N 0 0 452.551 4.954 20 0 JJADRN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC001459058754 1067241450 /nfs/dbraw/zinc/24/14/50/1067241450.db2.gz ULRDLGJEQFKVNJ-UHFFFAOYSA-N 0 0 452.573 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC001459058084 1067241464 /nfs/dbraw/zinc/24/14/64/1067241464.db2.gz VLFLIAMFABJVNY-UHFFFAOYSA-N 0 0 457.340 4.923 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001452658354 1067241874 /nfs/dbraw/zinc/24/18/74/1067241874.db2.gz MYTGIGXIOHEXHP-IBGZPJMESA-N 0 0 454.615 4.913 20 0 JJADRN CCC(O)(CC)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001546041913 1067241904 /nfs/dbraw/zinc/24/19/04/1067241904.db2.gz RJOLZCMJSNFWHE-SFHVURJKSA-N 0 0 497.467 4.968 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001452665832 1067242402 /nfs/dbraw/zinc/24/24/02/1067242402.db2.gz RMPSHLMKOZBONW-OXJNMPFZSA-N 0 0 455.380 4.810 20 0 JJADRN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 ZINC001546042014 1067242431 /nfs/dbraw/zinc/24/24/31/1067242431.db2.gz VDIIWHLBOKYSHR-GOSISDBHSA-N 0 0 462.570 4.950 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC001459064373 1067242437 /nfs/dbraw/zinc/24/24/37/1067242437.db2.gz PQLXBPABISKKBG-MRXNPFEDSA-N 0 0 456.530 4.578 20 0 JJADRN CC(=O)N1CCN(Cc2cccc(NC(=O)C3(c4cccc(Cl)c4)CCCCC3)c2)CC1 ZINC001459067625 1067242759 /nfs/dbraw/zinc/24/27/59/1067242759.db2.gz GJQRPZUPVHOSGF-UHFFFAOYSA-N 0 0 454.014 4.845 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1 ZINC001452678962 1067242956 /nfs/dbraw/zinc/24/29/56/1067242956.db2.gz CZEKPRONBKVDFR-UHFFFAOYSA-N 0 0 456.587 4.624 20 0 JJADRN Cc1cc(N2CCN(C(=O)CSCc3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)n1 ZINC001459068475 1067243331 /nfs/dbraw/zinc/24/33/31/1067243331.db2.gz JGGNUMUPHNFEEH-UHFFFAOYSA-N 0 0 452.546 4.509 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(Br)cc2SC)ccc1Br ZINC001459067977 1067243404 /nfs/dbraw/zinc/24/34/04/1067243404.db2.gz HCJMRNRPTXUSCN-UHFFFAOYSA-N 0 0 459.159 4.972 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)N1CC[C@@]2(CC2(F)F)C1)c1cccc(Br)c1 ZINC001452686126 1067243394 /nfs/dbraw/zinc/24/33/94/1067243394.db2.gz ANULAVPUBMWSBC-LJQANCHMSA-N 0 0 453.258 4.712 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001452685276 1067243422 /nfs/dbraw/zinc/24/34/22/1067243422.db2.gz QXDLCXPQTBNCHH-ZXNZYJFHSA-N 0 0 451.007 4.897 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001452690804 1067244323 /nfs/dbraw/zinc/24/43/23/1067244323.db2.gz ZMOICSJYLUCWKF-AQNXPRMDSA-N 0 0 452.542 4.865 20 0 JJADRN CN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452694081 1067245094 /nfs/dbraw/zinc/24/50/94/1067245094.db2.gz LAGPANMRCIXKLU-ILBGXUMGSA-N 0 0 456.521 4.658 20 0 JJADRN Cn1cnc(-c2ccc(C(=O)Oc3ccc(Oc4ccc(Br)cn4)cc3)cc2)n1 ZINC001459073863 1067245337 /nfs/dbraw/zinc/24/53/37/1067245337.db2.gz KXEAMHRESYFAEF-UHFFFAOYSA-N 0 0 451.280 4.651 20 0 JJADRN CN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452694084 1067245465 /nfs/dbraw/zinc/24/54/65/1067245465.db2.gz LAGPANMRCIXKLU-ZCYQVOJMSA-N 0 0 456.521 4.658 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001546042516 1067245526 /nfs/dbraw/zinc/24/55/26/1067245526.db2.gz MTTCFXQRFNADEW-KRWDZBQOSA-N 0 0 458.971 4.933 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105869 1067245791 /nfs/dbraw/zinc/24/57/91/1067245791.db2.gz ZUHOWWUOCASLRG-GAJHUEQPSA-N 0 0 456.951 4.763 20 0 JJADRN Cc1c(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cnn1-c1cccc(Br)c1 ZINC001459076863 1067245988 /nfs/dbraw/zinc/24/59/88/1067245988.db2.gz KTFHHIFXPGJREZ-UHFFFAOYSA-N 0 0 450.340 4.998 20 0 JJADRN CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001452714109 1067245950 /nfs/dbraw/zinc/24/59/50/1067245950.db2.gz MXLFDRFAMUCPFD-LEWJYISDSA-N 0 0 450.476 4.741 20 0 JJADRN CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C3(C)C)cc2)cc1 ZINC001452714137 1067246090 /nfs/dbraw/zinc/24/60/90/1067246090.db2.gz NDRRCOXCZXTWIX-JWQCQUIFSA-N 0 0 450.623 4.792 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C)c1ccccc1 ZINC001459077031 1067246362 /nfs/dbraw/zinc/24/63/62/1067246362.db2.gz LIPUOZBZGJCFQV-NDEPHWFRSA-N 0 0 453.542 4.708 20 0 JJADRN Cc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cnn1-c1ccc(C)cc1 ZINC001452737736 1067247536 /nfs/dbraw/zinc/24/75/36/1067247536.db2.gz JVDHYDRRWBCCKO-OAQYLSRUSA-N 0 0 456.493 4.972 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cnn1-c1ccccc1Cl ZINC001459083145 1067247889 /nfs/dbraw/zinc/24/78/89/1067247889.db2.gz HQKVTZSLOMLEMC-UHFFFAOYSA-N 0 0 452.363 4.958 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001452746695 1067248120 /nfs/dbraw/zinc/24/81/20/1067248120.db2.gz RXVANGVAIKWWDN-UIFIKXQLSA-N 0 0 458.599 4.710 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001546043508 1067248544 /nfs/dbraw/zinc/24/85/44/1067248544.db2.gz UYEYTFXFEWCFCC-CTNGQTDRSA-N 0 0 499.656 4.689 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CSc2nnc3ccc(Br)cn32)CC1 ZINC001459088516 1067248739 /nfs/dbraw/zinc/24/87/39/1067248739.db2.gz PTZORLZNBVMANJ-HDJSIYSDSA-N 0 0 455.422 4.915 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001546043556 1067248960 /nfs/dbraw/zinc/24/89/60/1067248960.db2.gz WAHNULIOEXXJHS-IFMALSPDSA-N 0 0 458.647 4.701 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001459097370 1067249715 /nfs/dbraw/zinc/24/97/15/1067249715.db2.gz LBMULFBZWXDFHE-SFHVURJKSA-N 0 0 457.452 4.523 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)cc1 ZINC001452767507 1067250247 /nfs/dbraw/zinc/25/02/47/1067250247.db2.gz NBNSWHMGHPKLOC-IBGZPJMESA-N 0 0 450.988 4.650 20 0 JJADRN Cc1cccn2cc(COc3ccccc3C(=O)NCCc3ccccc3OC(F)F)nc12 ZINC001459102222 1067250686 /nfs/dbraw/zinc/25/06/86/1067250686.db2.gz UNILGDVKHTUDMB-UHFFFAOYSA-N 0 0 451.473 4.796 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCC[C@@H](C)CC2)cc1 ZINC001459102275 1067251072 /nfs/dbraw/zinc/25/10/72/1067251072.db2.gz UWLCRIARVFXQPW-MJGOQNOKSA-N 0 0 454.592 4.903 20 0 JJADRN C[C@@H]1Cc2c(ncn2CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C[C@@H]1C ZINC001459102276 1067251145 /nfs/dbraw/zinc/25/11/45/1067251145.db2.gz CNPZFOWQZIYPQQ-LSDHHAIUSA-N 0 0 455.356 4.842 20 0 JJADRN COC(=O)c1coc(CNC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 ZINC001452779117 1067251246 /nfs/dbraw/zinc/25/12/46/1067251246.db2.gz YGNQELFZHFRVDG-UHFFFAOYSA-N 0 0 451.331 4.990 20 0 JJADRN Cc1cc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC001452776624 1067251273 /nfs/dbraw/zinc/25/12/73/1067251273.db2.gz LPIPTEBOSNAJSK-MEBBXXQBSA-N 0 0 472.393 4.956 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452790946 1067251757 /nfs/dbraw/zinc/25/17/57/1067251757.db2.gz NJYLAGNHWBBUTM-ZEQRLZLVSA-N 0 0 453.023 4.727 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452791497 1067252226 /nfs/dbraw/zinc/25/22/26/1067252226.db2.gz SEGSOKPXVHMPSG-NTKDMRAZSA-N 0 0 453.023 4.822 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1C(F)F ZINC001452791144 1067252270 /nfs/dbraw/zinc/25/22/70/1067252270.db2.gz PGWWSYLXRBGHGF-SFHVURJKSA-N 0 0 451.823 4.637 20 0 JJADRN CNC(=O)[C@H](CNC(=O)c1ccccc1Nc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC001452792678 1067252292 /nfs/dbraw/zinc/25/22/92/1067252292.db2.gz JLMIUQQGEHLLLZ-SFHVURJKSA-N 0 0 455.480 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)Cc2ccccc21 ZINC001452794853 1067252324 /nfs/dbraw/zinc/25/23/24/1067252324.db2.gz MIPZFDYIHRZEPT-YZGWKJHDSA-N 0 0 458.505 4.874 20 0 JJADRN CCc1nc(SCc2coc(-c3ccc(I)cc3)n2)[nH]c(=O)c1C ZINC001459110404 1067252461 /nfs/dbraw/zinc/25/24/61/1067252461.db2.gz GSGJMOLGFAVKRD-UHFFFAOYSA-N 0 0 453.305 4.605 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnn(C)c2C)O1 ZINC001546044663 1067252668 /nfs/dbraw/zinc/25/26/68/1067252668.db2.gz DUXUXCLBGRFLHY-JVFUWBCBSA-N 0 0 470.593 4.583 20 0 JJADRN O=C(COc1cc(Br)cc(C(F)(F)F)c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459113751 1067253062 /nfs/dbraw/zinc/25/30/62/1067253062.db2.gz ZTIBKEUPDALLDP-UHFFFAOYSA-N 0 0 454.145 4.807 20 0 JJADRN CN(C)c1cc(F)cc(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001452798004 1067253214 /nfs/dbraw/zinc/25/32/14/1067253214.db2.gz UCCHGHKQWVEYON-AWEZNQCLSA-N 0 0 454.287 4.547 20 0 JJADRN Cc1c(NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cnn1-c1ccc(F)cc1 ZINC001452797666 1067253227 /nfs/dbraw/zinc/25/32/27/1067253227.db2.gz CVNFMYYCIMPFGX-IBGZPJMESA-N 0 0 455.490 4.632 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2-c2ccc(Cl)s2)c1 ZINC001459115533 1067253436 /nfs/dbraw/zinc/25/34/36/1067253436.db2.gz SQLZWEKPONWHEZ-UHFFFAOYSA-N 0 0 456.376 4.620 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc1 ZINC001452802950 1067253598 /nfs/dbraw/zinc/25/35/98/1067253598.db2.gz LKCIHNGBNPYAJW-UHFFFAOYSA-N 0 0 459.612 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2cccc(Br)c2)Cc2ccccc21 ZINC001452802014 1067253690 /nfs/dbraw/zinc/25/36/90/1067253690.db2.gz ILNLCIRMRKEGDY-IBGZPJMESA-N 0 0 459.384 4.864 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001459117310 1067254026 /nfs/dbraw/zinc/25/40/26/1067254026.db2.gz CRAWJLYTXAPWDU-OAQYLSRUSA-N 0 0 456.325 4.820 20 0 JJADRN O=C(NCc1cc(Br)ccc1Br)c1cc(Br)cs1 ZINC001459117573 1067254117 /nfs/dbraw/zinc/25/41/17/1067254117.db2.gz DONRQESMCSDCEI-UHFFFAOYSA-N 0 0 453.981 4.966 20 0 JJADRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC001459116369 1067254130 /nfs/dbraw/zinc/25/41/30/1067254130.db2.gz CEAMZIJBRGXLKV-QFIPXVFZSA-N 0 0 455.396 4.868 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)Cn2c3ccccc3nc2SC(F)F)CCCCCC1 ZINC001452806539 1067254224 /nfs/dbraw/zinc/25/42/24/1067254224.db2.gz SUYRIYQVWYHXMM-UHFFFAOYSA-N 0 0 453.555 4.902 20 0 JJADRN COc1ccc(CCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(OC)c1OC ZINC001459118183 1067254493 /nfs/dbraw/zinc/25/44/93/1067254493.db2.gz FLJVSYRCKQTMNN-UHFFFAOYSA-N 0 0 452.532 4.831 20 0 JJADRN COCCOc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)nc2ccccc21 ZINC001459119198 1067254515 /nfs/dbraw/zinc/25/45/15/1067254515.db2.gz QTSSCEZRAFTTAA-UHFFFAOYSA-N 0 0 458.902 4.823 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)O1 ZINC001546044702 1067254682 /nfs/dbraw/zinc/25/46/82/1067254682.db2.gz FKGXZQZIYCFEPQ-BWKNWUBXSA-N 0 0 474.049 4.755 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)c1c[nH]c2cccc(Br)c12)c1ccccc1 ZINC001452814213 1067255026 /nfs/dbraw/zinc/25/50/26/1067255026.db2.gz DXSOPPGYPAJGPX-QHCPKHFHSA-N 0 0 457.368 4.960 20 0 JJADRN CN(Cc1ccccc1CNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)C(=O)OC(C)(C)C ZINC001452814233 1067255195 /nfs/dbraw/zinc/25/51/95/1067255195.db2.gz FFCDRBSYEIJLNX-UHFFFAOYSA-N 0 0 458.986 4.621 20 0 JJADRN COc1ccc(Cl)c(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4n3C)CC2)c1 ZINC001452825368 1067256116 /nfs/dbraw/zinc/25/61/16/1067256116.db2.gz RRMUGKBEMVPFFB-UHFFFAOYSA-N 0 0 451.876 4.822 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CC2)nc1 ZINC001452828871 1067256204 /nfs/dbraw/zinc/25/62/04/1067256204.db2.gz ARPMJJULVONABR-NRFANRHFSA-N 0 0 459.974 4.716 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)O1 ZINC001546044874 1067256475 /nfs/dbraw/zinc/25/64/75/1067256475.db2.gz HZOCGNMEJYCAED-BXKMTCNYSA-N 0 0 478.012 4.504 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccccc3CN(C)C(=O)OC(C)(C)C)cc2C1 ZINC001452833864 1067256541 /nfs/dbraw/zinc/25/65/41/1067256541.db2.gz ZTAIEFRMGJBPAK-KRWDZBQOSA-N 0 0 453.583 4.599 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@@H]1CCCOC1 ZINC001452834955 1067256660 /nfs/dbraw/zinc/25/66/60/1067256660.db2.gz KPVQWJSNSKOBRO-WOJBJXKFSA-N 0 0 450.579 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2csc(-c3ccccc3)n2)C[C@@H]1[C@H]1CCCO1 ZINC001452840002 1067257140 /nfs/dbraw/zinc/25/71/40/1067257140.db2.gz JMFBVKRXGCOTAQ-IPMKNSEASA-N 0 0 457.596 4.943 20 0 JJADRN O=c1cccc(Br)n1Cc1cc(Br)c(Cl)c(Br)c1 ZINC001459128337 1067257573 /nfs/dbraw/zinc/25/75/73/1067257573.db2.gz PMSOMAMFBSPWDU-UHFFFAOYSA-N 0 0 456.359 4.838 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CCNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001452856842 1067257679 /nfs/dbraw/zinc/25/76/79/1067257679.db2.gz QMAAXXOBWWGIFG-QGZVFWFLSA-N 0 0 459.414 4.864 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)o1 ZINC001452861457 1067258113 /nfs/dbraw/zinc/25/81/13/1067258113.db2.gz ZTENHVMGYFMWEL-UHFFFAOYSA-N 0 0 454.354 4.574 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001452859654 1067258141 /nfs/dbraw/zinc/25/81/41/1067258141.db2.gz WRHFRQRTTIFGPY-UHFFFAOYSA-N 0 0 453.539 4.582 20 0 JJADRN COC(=O)c1c(NC(=O)COc2cc(C)ccc2Br)sc2c1CC[C@H](C)C2 ZINC001459137787 1067258441 /nfs/dbraw/zinc/25/84/41/1067258441.db2.gz MAOBGNGLIMDYDK-LBPRGKRZSA-N 0 0 452.370 4.748 20 0 JJADRN CC[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)c1cc(F)cc(Br)c1 ZINC001459140087 1067258977 /nfs/dbraw/zinc/25/89/77/1067258977.db2.gz HJKFIDBZHMCXQD-CQSZACIVSA-N 0 0 459.109 4.961 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)CC2)O1 ZINC001546045636 1067259637 /nfs/dbraw/zinc/25/96/37/1067259637.db2.gz QWXDQLGNRASMKZ-KPDCDPCYSA-N 0 0 499.553 4.589 20 0 JJADRN CC[C@H](OCCNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001452880890 1067259669 /nfs/dbraw/zinc/25/96/69/1067259669.db2.gz CGFFGKPENBGZOZ-QFIPXVFZSA-N 0 0 454.567 4.714 20 0 JJADRN COc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccn(C(F)F)n2)CCC3)cc1Cl ZINC001459144826 1067259952 /nfs/dbraw/zinc/25/99/52/1067259952.db2.gz DEOGVNPUTUXAGS-UHFFFAOYSA-N 0 0 451.882 4.974 20 0 JJADRN CC(=O)Nc1cc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)ccc1F ZINC001452893308 1067260080 /nfs/dbraw/zinc/26/00/80/1067260080.db2.gz BRUDAHMYKQOTJE-IBGZPJMESA-N 0 0 455.530 4.661 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)cc(Br)c1 ZINC001459145928 1067260537 /nfs/dbraw/zinc/26/05/37/1067260537.db2.gz DXELPYHAWCNVGJ-QGZVFWFLSA-N 0 0 451.748 4.663 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452895724 1067260697 /nfs/dbraw/zinc/26/06/97/1067260697.db2.gz CYRBOBRDWWCJCQ-HKUYNNGSSA-N 0 0 452.954 4.559 20 0 JJADRN CN(C)C(=O)N1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1 ZINC001452894354 1067260791 /nfs/dbraw/zinc/26/07/91/1067260791.db2.gz GTKPRGXAILPJRS-UHFFFAOYSA-N 0 0 452.407 4.725 20 0 JJADRN Cc1nsc(NC2CC2)c1C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C ZINC001452894436 1067260801 /nfs/dbraw/zinc/26/08/01/1067260801.db2.gz GULSNGPPMYFCDV-SFHVURJKSA-N 0 0 456.612 4.902 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001452898236 1067261117 /nfs/dbraw/zinc/26/11/17/1067261117.db2.gz BZGNGJZNQFUQJI-XQBPLPMBSA-N 0 0 470.997 4.828 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001452896988 1067261143 /nfs/dbraw/zinc/26/11/43/1067261143.db2.gz MDPFXISITXPUGV-SFTDATJTSA-N 0 0 458.986 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)s3)C2)C1 ZINC001452899051 1067261190 /nfs/dbraw/zinc/26/11/90/1067261190.db2.gz BDTFDFCSQMRHBK-KURKYZTESA-N 0 0 450.645 4.970 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC001459148390 1067261464 /nfs/dbraw/zinc/26/14/64/1067261464.db2.gz MZYTZCLWVHFRSZ-UHFFFAOYSA-N 0 0 451.386 4.575 20 0 JJADRN C/C(=C/C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001459149588 1067261542 /nfs/dbraw/zinc/26/15/42/1067261542.db2.gz URTORYUHVWQUFS-QKQONQEDSA-N 0 0 452.423 4.694 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)C1 ZINC001452905423 1067262623 /nfs/dbraw/zinc/26/26/23/1067262623.db2.gz OLVDZAXMUFDMDP-VWPQPMDRSA-N 0 0 454.567 4.871 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC[C@H]([C@H]4C[C@H](NC(=O)OC(C)(C)C)CCO4)C3)CCC2)cc1 ZINC001452906616 1067263085 /nfs/dbraw/zinc/26/30/85/1067263085.db2.gz QLXPSRCCKPUUHT-MDNUFGMLSA-N 0 0 456.627 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC001459154371 1067263021 /nfs/dbraw/zinc/26/30/21/1067263021.db2.gz MVVNUFUQUDFVLL-OAHLLOKOSA-N 0 0 457.434 4.836 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1Br ZINC001459155593 1067263201 /nfs/dbraw/zinc/26/32/01/1067263201.db2.gz DYZBUFCLMQLXQN-UHFFFAOYSA-N 0 0 456.667 4.777 20 0 JJADRN Cc1cccc(C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)c1NC(=O)c1ccncc1 ZINC001452908569 1067263433 /nfs/dbraw/zinc/26/34/33/1067263433.db2.gz YWHHIEXIMVVBDA-HXUWFJFHSA-N 0 0 453.901 4.649 20 0 JJADRN CSCc1cccc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)c1 ZINC001459159425 1067263597 /nfs/dbraw/zinc/26/35/97/1067263597.db2.gz UVLDITGNVYALSZ-UHFFFAOYSA-N 0 0 456.409 4.917 20 0 JJADRN CCOC(=O)C1=C(CS[C@H]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459161804 1067264053 /nfs/dbraw/zinc/26/40/53/1067264053.db2.gz BISLDKJRDRWQJA-SIKLNZKXSA-N 0 0 456.995 4.802 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1cccs1 ZINC001459163580 1067264216 /nfs/dbraw/zinc/26/42/16/1067264216.db2.gz PZDBIFCMYZNHMS-QGZVFWFLSA-N 0 0 450.589 4.877 20 0 JJADRN CC(=O)c1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]3C)c1 ZINC001459165397 1067264655 /nfs/dbraw/zinc/26/46/55/1067264655.db2.gz QOKVDXCZDGCXLK-HIFRSBDPSA-N 0 0 459.564 4.946 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)CC(C)C ZINC001452925534 1067265123 /nfs/dbraw/zinc/26/51/23/1067265123.db2.gz RTHWWXVXNZDKIS-PCCBWWKXSA-N 0 0 454.652 4.972 20 0 JJADRN CCCOC(=O)C[C@@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)CC(C)C ZINC001452925518 1067265189 /nfs/dbraw/zinc/26/51/89/1067265189.db2.gz RTHWWXVXNZDKIS-HBMCJLEFSA-N 0 0 454.652 4.972 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cnn(-c4ccccc4)n3)sc2[C@H](C)O1 ZINC001459166928 1067265146 /nfs/dbraw/zinc/26/51/46/1067265146.db2.gz SWNAUAIFOSUERJ-KGLIPLIRSA-N 0 0 454.552 4.559 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)OC2CCCC2)O1 ZINC001546046297 1067266142 /nfs/dbraw/zinc/26/61/42/1067266142.db2.gz ZBGARWGFBDYMEU-OFVILXPXSA-N 0 0 455.603 4.805 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC001459179900 1067266438 /nfs/dbraw/zinc/26/64/38/1067266438.db2.gz WRJGTQSDNWOVRY-KNQAVFIVSA-N 0 0 457.412 4.909 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccc1O)N1CCN(c2ccc(Br)cc2)CC1 ZINC001452949890 1067266524 /nfs/dbraw/zinc/26/65/24/1067266524.db2.gz FIYWHUSDKLOHLL-UHFFFAOYSA-N 0 0 453.336 4.909 20 0 JJADRN COc1cc(-c2noc(COc3cc(Br)ccc3C=O)n2)ccc1OC(F)F ZINC001459179663 1067266518 /nfs/dbraw/zinc/26/65/18/1067266518.db2.gz NIQVNVKNMRACSX-UHFFFAOYSA-N 0 0 455.211 4.501 20 0 JJADRN CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001452956228 1067267092 /nfs/dbraw/zinc/26/70/92/1067267092.db2.gz INWLTLNRTTUHNT-INIZCTEOSA-N 0 0 456.167 4.972 20 0 JJADRN O=C([C@H]1CCOc2ccc(Br)cc21)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452957065 1067267709 /nfs/dbraw/zinc/26/77/09/1067267709.db2.gz SALZDIRSHIEFQB-ZDUSSCGKSA-N 0 0 457.151 4.912 20 0 JJADRN O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452956555 1067267783 /nfs/dbraw/zinc/26/77/83/1067267783.db2.gz SALZDIRSHIEFQB-CYBMUJFWSA-N 0 0 457.151 4.912 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001459184903 1067267868 /nfs/dbraw/zinc/26/78/68/1067267868.db2.gz OBLGXJLRDFLVPU-UPVQGACJSA-N 0 0 456.508 4.985 20 0 JJADRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c(Br)c1 ZINC001452960817 1067268251 /nfs/dbraw/zinc/26/82/51/1067268251.db2.gz QOMGCLXTPVOVHC-OAHLLOKOSA-N 0 0 458.278 4.563 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452964280 1067268685 /nfs/dbraw/zinc/26/86/85/1067268685.db2.gz INRJCAKPEDPNHG-NRFANRHFSA-N 0 0 459.631 4.678 20 0 JJADRN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001459187861 1067268601 /nfs/dbraw/zinc/26/86/01/1067268601.db2.gz MHQZIUKBJCQRJY-LBPRGKRZSA-N 0 0 456.474 4.745 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3ccc(Br)o3)nn2-c2ccccc2)cc1 ZINC001459187420 1067268650 /nfs/dbraw/zinc/26/86/50/1067268650.db2.gz JOSLEYMCQVNBKP-UHFFFAOYSA-N 0 0 452.308 4.833 20 0 JJADRN Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001459186922 1067268688 /nfs/dbraw/zinc/26/86/88/1067268688.db2.gz IQPBMTVMXFVEQY-IYBDPMFKSA-N 0 0 454.958 4.717 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001452967625 1067268975 /nfs/dbraw/zinc/26/89/75/1067268975.db2.gz VYOHBERIGLZQQB-QZTJIDSGSA-N 0 0 458.990 4.798 20 0 JJADRN CCCc1c(C(=O)NCc2cc(COC(C)(C)C)on2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001459188302 1067269169 /nfs/dbraw/zinc/26/91/69/1067269169.db2.gz FFDSTPAMEHCPEE-UHFFFAOYSA-N 0 0 453.587 4.750 20 0 JJADRN O=C(OCc1cn(Cc2ccccc2)nn1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001459190251 1067269180 /nfs/dbraw/zinc/26/91/80/1067269180.db2.gz YRNPTJCQFGBITH-HSZRJFAPSA-N 0 0 451.885 4.982 20 0 JJADRN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC001452968006 1067269103 /nfs/dbraw/zinc/26/91/03/1067269103.db2.gz NXTIRYRLEGZUGE-SFHVURJKSA-N 0 0 454.151 4.856 20 0 JJADRN O=C(NN1CCc2ccccc2C1)c1cc2cc(Br)cc(Br)c2o1 ZINC001452967968 1067269214 /nfs/dbraw/zinc/26/92/14/1067269214.db2.gz BOLALNUMLOMZHS-UHFFFAOYSA-N 0 0 450.130 4.661 20 0 JJADRN C[C@@H](SCC(=O)NCc1ccccc1CN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001459192754 1067269472 /nfs/dbraw/zinc/26/94/72/1067269472.db2.gz IHNPQMDDARNWNX-QGZVFWFLSA-N 0 0 452.542 4.648 20 0 JJADRN CN1c2ccc(C(=O)Oc3ccc(OC(F)(F)F)c(Br)c3)cc2C(C)(C)C1=O ZINC001459200901 1067270353 /nfs/dbraw/zinc/27/03/53/1067270353.db2.gz UXDOCFPFWADAEU-UHFFFAOYSA-N 0 0 458.230 4.821 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCc4ccccc43)c2)cc1 ZINC001452986297 1067270967 /nfs/dbraw/zinc/27/09/67/1067270967.db2.gz AJUPUPFTKUHVSQ-XMMPIXPASA-N 0 0 450.560 4.612 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC001459207618 1067271087 /nfs/dbraw/zinc/27/10/87/1067271087.db2.gz UOFPZKOTOPHRQS-CJFMBICVSA-N 0 0 451.588 4.656 20 0 JJADRN COC(=O)c1cc(Cl)c(OCc2ccc(C3(C(=O)OC)CC3)cc2)c(Br)c1 ZINC001459209360 1067271587 /nfs/dbraw/zinc/27/15/87/1067271587.db2.gz JVEQWTXYRPFTJQ-UHFFFAOYSA-N 0 0 453.716 4.673 20 0 JJADRN O=C(NCc1ccc(F)cc1)c1nnc(COc2cc(Cl)ccc2Br)s1 ZINC001459211358 1067271897 /nfs/dbraw/zinc/27/18/97/1067271897.db2.gz TWLYIWNQKOLFKA-UHFFFAOYSA-N 0 0 456.724 4.602 20 0 JJADRN Cc1oc2ccc(NC(=O)[C@H](C)CS(=O)(=O)c3ccc(Br)cc3)cc2c1C ZINC001459211741 1067272015 /nfs/dbraw/zinc/27/20/15/1067272015.db2.gz GSUJTFXMZUGAJK-GFCCVEGCSA-N 0 0 450.354 4.861 20 0 JJADRN O=C(N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccc(NCc2ccsc2)cc1 ZINC001452995203 1067272113 /nfs/dbraw/zinc/27/21/13/1067272113.db2.gz GHENKAZTEJMBIV-IBGZPJMESA-N 0 0 459.493 4.610 20 0 JJADRN CC(C)[C@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001452995654 1067272129 /nfs/dbraw/zinc/27/21/29/1067272129.db2.gz AFKSPYOMTUXNOJ-BEFAXECRSA-N 0 0 458.430 4.827 20 0 JJADRN COC(=O)c1cc(Br)ccc1SCC(=O)NCCc1ccc(C(C)C)cc1 ZINC001459212353 1067272282 /nfs/dbraw/zinc/27/22/82/1067272282.db2.gz PHPQPVNUJXIWAV-UHFFFAOYSA-N 0 0 450.398 4.810 20 0 JJADRN COC(=O)c1cc(Br)ccc1SCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC001459212384 1067272303 /nfs/dbraw/zinc/27/23/03/1067272303.db2.gz PVUXVICLHABMFW-ZDUSSCGKSA-N 0 0 452.370 4.556 20 0 JJADRN CCOc1ccc(-c2nc(Cn3nc(-c4c(F)cccc4F)ccc3=O)cs2)cc1OC ZINC001459216274 1067272312 /nfs/dbraw/zinc/27/23/12/1067272312.db2.gz FHEJQVBSKJFQOU-UHFFFAOYSA-N 0 0 455.486 4.768 20 0 JJADRN CCOC(=O)c1cn(CCc2c(F)cccc2F)c2c(Br)ccc(F)c2c1=O ZINC001459217520 1067272437 /nfs/dbraw/zinc/27/24/37/1067272437.db2.gz OHEVMNRVWAIWPE-UHFFFAOYSA-N 0 0 454.242 4.601 20 0 JJADRN O=C(NCc1ccc2occc2c1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001452996999 1067272840 /nfs/dbraw/zinc/27/28/40/1067272840.db2.gz IWTCHEXQGTVDIG-UHFFFAOYSA-N 0 0 458.898 4.956 20 0 JJADRN Cc1c(C(=O)N2CCCSc3ccc(F)cc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001459221876 1067272934 /nfs/dbraw/zinc/27/29/34/1067272934.db2.gz DHXQNMNEOQZDJM-UHFFFAOYSA-N 0 0 450.461 4.935 20 0 JJADRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC001452998120 1067272897 /nfs/dbraw/zinc/27/28/97/1067272897.db2.gz OZRCGUWUCVTXNT-OAQYLSRUSA-N 0 0 454.876 4.592 20 0 JJADRN CCc1ccc(-c2nc(C(=O)N[C@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)cs2)cc1 ZINC001452998490 1067273203 /nfs/dbraw/zinc/27/32/03/1067273203.db2.gz NVBOVBRKVCWNJZ-KRWDZBQOSA-N 0 0 459.493 4.623 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1 ZINC001452998647 1067273353 /nfs/dbraw/zinc/27/33/53/1067273353.db2.gz UUQMRVLDZNOATP-SFHVURJKSA-N 0 0 451.375 4.908 20 0 JJADRN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)[C@@H]2CCO[C@@H]2C)cc1OC ZINC001459223444 1067273307 /nfs/dbraw/zinc/27/33/07/1067273307.db2.gz RDFMHLVWDXIGRC-DNVCBOLYSA-N 0 0 455.942 4.633 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC001459227003 1067273828 /nfs/dbraw/zinc/27/38/28/1067273828.db2.gz GPUQHASVIZIVSB-HOTGVXAUSA-N 0 0 457.434 4.531 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c1 ZINC001453011567 1067274262 /nfs/dbraw/zinc/27/42/62/1067274262.db2.gz NMNRHBCCLBMIDH-DEOSSOPVSA-N 0 0 456.608 4.652 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 ZINC001459231661 1067274633 /nfs/dbraw/zinc/27/46/33/1067274633.db2.gz QKLZHQNVABZRFM-AEFFLSMTSA-N 0 0 454.958 4.666 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC2CC2)nc1 ZINC001459232670 1067275133 /nfs/dbraw/zinc/27/51/33/1067275133.db2.gz XWMDXFCPQSVWPJ-NRFANRHFSA-N 0 0 452.352 4.742 20 0 JJADRN O=C(c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)N1CC[C@@H](O)C(F)(F)C1 ZINC001453045188 1067275482 /nfs/dbraw/zinc/27/54/82/1067275482.db2.gz RHLFAJWUGOCDNU-QGZVFWFLSA-N 0 0 458.317 4.750 20 0 JJADRN CN(C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CC(C)(C)CC(C)(C)C1 ZINC001453053625 1067275633 /nfs/dbraw/zinc/27/56/33/1067275633.db2.gz ALVXMVXMBFAAGB-UHFFFAOYSA-N 0 0 458.647 4.816 20 0 JJADRN COc1ccccc1[C@H](C)N(OC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC001453052241 1067275661 /nfs/dbraw/zinc/27/56/61/1067275661.db2.gz NNTWOMDNMCAAJL-GJZGRUSLSA-N 0 0 455.580 4.614 20 0 JJADRN COC(=O)c1ccc(OC)c(COc2cc(C(C)(C)C)ccc2I)c1 ZINC001459235954 1067275729 /nfs/dbraw/zinc/27/57/29/1067275729.db2.gz ARQXRGRNRGTSNY-UHFFFAOYSA-N 0 0 454.304 4.963 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(C(=O)c1ccc(CN3C[C@H](C)O[C@@H](C)C3)cc1)CC2 ZINC001459238849 1067276337 /nfs/dbraw/zinc/27/63/37/1067276337.db2.gz AJRHEIMAWOJLOK-ROUUACIJSA-N 0 0 457.412 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)C1 ZINC001453073181 1067276547 /nfs/dbraw/zinc/27/65/47/1067276547.db2.gz HQJWZGFSYRENQF-CYFREDJKSA-N 0 0 451.007 4.585 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)CC1 ZINC001453069504 1067276655 /nfs/dbraw/zinc/27/66/55/1067276655.db2.gz DWSUCVMVEFIQHN-NRYAXDJKSA-N 0 0 451.007 4.631 20 0 JJADRN NC(=O)c1ccc(Br)cc1OCc1csc(COc2ccc(Cl)cc2)n1 ZINC001459243676 1067276612 /nfs/dbraw/zinc/27/66/12/1067276612.db2.gz ROYQFFFSBMJSFV-UHFFFAOYSA-N 0 0 453.745 4.816 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001453075370 1067277066 /nfs/dbraw/zinc/27/70/66/1067277066.db2.gz IQZPTSGAIUGJJF-DEOSSOPVSA-N 0 0 456.011 4.585 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CCCC1 ZINC001453074938 1067277226 /nfs/dbraw/zinc/27/72/26/1067277226.db2.gz OSIGEOQRDALGRX-DYESRHJHSA-N 0 0 451.405 4.680 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC001453081315 1067277583 /nfs/dbraw/zinc/27/75/83/1067277583.db2.gz SYKOMDLSOLSJIS-KRWDZBQOSA-N 0 0 452.389 4.676 20 0 JJADRN O=C(CSc1nc2cc(F)ccc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001459251753 1067277727 /nfs/dbraw/zinc/27/77/27/1067277727.db2.gz ISQLAJUGNDGHSY-UHFFFAOYSA-N 0 0 455.502 4.895 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1 ZINC001459257718 1067278205 /nfs/dbraw/zinc/27/82/05/1067278205.db2.gz VLAALCIMROOWHP-SFHVURJKSA-N 0 0 452.551 4.912 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3CCc4cccc(NC(=O)OC(C)(C)C)c43)c2)no1 ZINC001459256219 1067278289 /nfs/dbraw/zinc/27/82/89/1067278289.db2.gz RAMMYCKCBJYMNG-UHFFFAOYSA-N 0 0 450.495 4.507 20 0 JJADRN O=C(CSC1CCC(c2ccccc2)CC1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC001459254913 1067278323 /nfs/dbraw/zinc/27/83/23/1067278323.db2.gz ATARJGJOJLRJJD-UTCTYZAISA-N 0 0 459.608 4.929 20 0 JJADRN COc1ccc(-c2cc(CNC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)on2)cc1 ZINC001453091379 1067278628 /nfs/dbraw/zinc/27/86/28/1067278628.db2.gz FRGUMBCTJFRHBM-UHFFFAOYSA-N 0 0 456.424 4.793 20 0 JJADRN Cc1cc(-n2c(C)cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)c2C)no1 ZINC001453114871 1067279246 /nfs/dbraw/zinc/27/92/46/1067279246.db2.gz PBAAJSTTXLBVSB-FYYLOGMGSA-N 0 0 478.593 4.914 20 0 JJADRN COc1ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)c(C)c1Br ZINC001453116225 1067279726 /nfs/dbraw/zinc/27/97/26/1067279726.db2.gz GHGZALOZUAMASO-INIZCTEOSA-N 0 0 456.381 4.573 20 0 JJADRN CO[C@@H](C(=O)Nc1cc(Br)cc2nc(C)oc21)c1ccccc1Br ZINC001459267598 1067279739 /nfs/dbraw/zinc/27/97/39/1067279739.db2.gz UQKMWQDRNOMKDE-OAHLLOKOSA-N 0 0 454.118 4.987 20 0 JJADRN O=C(OCc1ccc(OCCC(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001459268045 1067280492 /nfs/dbraw/zinc/28/04/92/1067280492.db2.gz SMSXAIJENUJULW-CQSZACIVSA-N 0 0 459.823 4.907 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)CCCOC)O1 ZINC001546047818 1067280946 /nfs/dbraw/zinc/28/09/46/1067280946.db2.gz DTCLBPGLWKNWAH-VGSWGCGISA-N 0 0 481.435 4.537 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459276575 1067281050 /nfs/dbraw/zinc/28/10/50/1067281050.db2.gz LHWKCQNNPQTDJG-CQSZACIVSA-N 0 0 457.434 4.836 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOc2ccccc2)O1 ZINC001546047840 1067281415 /nfs/dbraw/zinc/28/14/15/1067281415.db2.gz FAVVVVSDUWOJSS-CVDCTZTESA-N 0 0 488.430 4.899 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001459278524 1067281483 /nfs/dbraw/zinc/28/14/83/1067281483.db2.gz QFTDRSTXICXGCV-FPOVZHCZSA-N 0 0 450.645 4.595 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(C)cc1Br ZINC001459282350 1067282490 /nfs/dbraw/zinc/28/24/90/1067282490.db2.gz VHPQOHPPSWFSFV-UHFFFAOYSA-N 0 0 458.274 4.521 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)C[C@H](C)O1 ZINC001459283100 1067282652 /nfs/dbraw/zinc/28/26/52/1067282652.db2.gz WNOXAAIVVSDJFX-HOTGVXAUSA-N 0 0 456.999 4.644 20 0 JJADRN Cc1ccc(C(=O)N2c3ccccc3C[C@H]2CO)cc1OCc1csc(Br)c1 ZINC001453131288 1067282641 /nfs/dbraw/zinc/28/26/41/1067282641.db2.gz NXLGGAYDVGAYJC-SFHVURJKSA-N 0 0 458.377 4.962 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001459286433 1067282970 /nfs/dbraw/zinc/28/29/70/1067282970.db2.gz HNJDQTCOMHXUGC-VAWYXSNFSA-N 0 0 453.583 4.943 20 0 JJADRN CC(C)Oc1cc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1Br ZINC001459287198 1067283019 /nfs/dbraw/zinc/28/30/19/1067283019.db2.gz JMNJTSWBOSWRJQ-UHFFFAOYSA-N 0 0 455.393 4.756 20 0 JJADRN O=C(NCC1(CCOCc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001459286566 1067283029 /nfs/dbraw/zinc/28/30/29/1067283029.db2.gz KVEZEBPPDDFJLF-QFIPXVFZSA-N 0 0 454.998 4.696 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 ZINC001459286187 1067283093 /nfs/dbraw/zinc/28/30/93/1067283093.db2.gz HFDRPUCAPPHNEM-UHFFFAOYSA-N 0 0 455.605 4.826 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2C1 ZINC001453144997 1067283219 /nfs/dbraw/zinc/28/32/19/1067283219.db2.gz GDFHQTULWSCFSZ-INIZCTEOSA-N 0 0 455.942 4.582 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@@H](OC)C2)O1 ZINC001546047915 1067283308 /nfs/dbraw/zinc/28/33/08/1067283308.db2.gz GARREJZOQJHWCR-KGWSRGFLSA-N 0 0 483.476 4.978 20 0 JJADRN COc1ccccc1[C@H](CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)OC(C)C ZINC001459289254 1067283613 /nfs/dbraw/zinc/28/36/13/1067283613.db2.gz QAHSJQQYWZIIHI-DEOSSOPVSA-N 0 0 451.542 4.795 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2nc(CCOC)no2)O1 ZINC001546047961 1067283805 /nfs/dbraw/zinc/28/38/05/1067283805.db2.gz GMJVOQSCQVYTNI-KDYSTLNUSA-N 0 0 496.656 4.799 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@](C)(OC)CC2)O1 ZINC001546047979 1067283847 /nfs/dbraw/zinc/28/38/47/1067283847.db2.gz GTTACYFVOZBXAR-SXSPYAJSSA-N 0 0 494.478 4.789 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)nnn1-c1cccc(Cl)c1 ZINC001459292434 1067284074 /nfs/dbraw/zinc/28/40/74/1067284074.db2.gz XMAGBEJCDTTYBE-FGZHOGPDSA-N 0 0 452.986 4.987 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC001459294233 1067284424 /nfs/dbraw/zinc/28/44/24/1067284424.db2.gz KFRBGULNLCZYEL-AWEZNQCLSA-N 0 0 452.971 4.654 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)O1 ZINC001546048049 1067284868 /nfs/dbraw/zinc/28/48/68/1067284868.db2.gz HLCXDSIIOUDUID-BORKOYIJSA-N 0 0 488.076 4.935 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)ccc21 ZINC001459296147 1067284860 /nfs/dbraw/zinc/28/48/60/1067284860.db2.gz FTUVPENNRPSBEQ-DEOSSOPVSA-N 0 0 450.922 4.634 20 0 JJADRN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cccc(Br)n1 ZINC001459296504 1067284992 /nfs/dbraw/zinc/28/49/92/1067284992.db2.gz HNSOMUADKLLWTD-UHFFFAOYSA-N 0 0 455.081 4.677 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)ccc21 ZINC001459297765 1067285403 /nfs/dbraw/zinc/28/54/03/1067285403.db2.gz NSDXMICAADHJFU-UHFFFAOYSA-N 0 0 452.595 4.835 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)OCc3ccc(C(F)(F)C(F)(F)F)cc3)CC(=O)N2C)cc1 ZINC001459297787 1067285417 /nfs/dbraw/zinc/28/54/17/1067285417.db2.gz HMUQFFYLTFFBLA-PKOBYXMFSA-N 0 0 457.395 4.612 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)OCc3ccc(C(F)(F)C(F)(F)F)cc3)CC(=O)N2C)cc1 ZINC001459297778 1067285482 /nfs/dbraw/zinc/28/54/82/1067285482.db2.gz HMUQFFYLTFFBLA-HKUYNNGSSA-N 0 0 457.395 4.612 20 0 JJADRN COCCOc1cccc(CC(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 ZINC001459299179 1067285819 /nfs/dbraw/zinc/28/58/19/1067285819.db2.gz VEVAZLOGJOAREP-QHCPKHFHSA-N 0 0 454.567 4.795 20 0 JJADRN Cc1cc(C(=O)NC[C@H](O)c2cccc3ccccc32)nn1-c1ccccc1Br ZINC001453172125 1067285912 /nfs/dbraw/zinc/28/59/12/1067285912.db2.gz APQWMHKDAAFJPL-QFIPXVFZSA-N 0 0 450.336 4.560 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC001453175960 1067286396 /nfs/dbraw/zinc/28/63/96/1067286396.db2.gz MNRQKZDRTCHFJG-LJQANCHMSA-N 0 0 452.986 4.817 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1 ZINC001453176759 1067286449 /nfs/dbraw/zinc/28/64/49/1067286449.db2.gz OSTURLRYUIOBIN-QUCCMNQESA-N 0 0 458.002 4.591 20 0 JJADRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001459300342 1067286859 /nfs/dbraw/zinc/28/68/59/1067286859.db2.gz UQFKAKNHBPTAHV-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546048257 1067287018 /nfs/dbraw/zinc/28/70/18/1067287018.db2.gz KCEZKFYACVOMPM-AUSIDOKSSA-N 0 0 480.531 4.649 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCOC)Cc2ccco2)O1 ZINC001546048225 1067287111 /nfs/dbraw/zinc/28/71/11/1067287111.db2.gz JQOBBCMDWRAUIX-AVRDEDQJSA-N 0 0 492.418 4.629 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001459301799 1067287335 /nfs/dbraw/zinc/28/73/35/1067287335.db2.gz AIOWLAVROZXKOU-CQSZACIVSA-N 0 0 450.888 4.738 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)OCc1ccc(Cl)cc1Br)NC(C)=O ZINC001459301091 1067287443 /nfs/dbraw/zinc/28/74/43/1067287443.db2.gz YPXLLZMQTDHEMT-SFHVURJKSA-N 0 0 454.748 4.812 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCS[C@@H](C)C2)O1 ZINC001546048277 1067287453 /nfs/dbraw/zinc/28/74/53/1067287453.db2.gz KKLMNFGDHKBZMH-CKJXQJPGSA-N 0 0 465.461 4.997 20 0 JJADRN CCOc1ccc(Br)c(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1F ZINC001453183299 1067287460 /nfs/dbraw/zinc/28/74/60/1067287460.db2.gz ULWCZHWWBMJCFM-ZDUSSCGKSA-N 0 0 455.755 4.897 20 0 JJADRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1Br ZINC001459303693 1067287749 /nfs/dbraw/zinc/28/77/49/1067287749.db2.gz KWHKDEAJRHRPME-LLVKDONJSA-N 0 0 455.711 4.632 20 0 JJADRN COc1ccccc1C(C)(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC001459302691 1067287908 /nfs/dbraw/zinc/28/79/08/1067287908.db2.gz ARJCDTUHETYDBC-UHFFFAOYSA-N 0 0 452.317 4.826 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546048343 1067287837 /nfs/dbraw/zinc/28/78/37/1067287837.db2.gz KYLFEHQNMWQHKV-MHBGZZOHSA-N 0 0 486.657 4.951 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCOCC2CC2)O1 ZINC001546048390 1067287938 /nfs/dbraw/zinc/28/79/38/1067287938.db2.gz LMMHKCBMEGOGTD-WZONZLPQSA-N 0 0 450.986 4.948 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546048344 1067287963 /nfs/dbraw/zinc/28/79/63/1067287963.db2.gz KYLFEHQNMWQHKV-UIFDUCBYSA-N 0 0 486.657 4.951 20 0 JJADRN Cc1cccc(CO[C@H](C)C(=O)Nc2nc3ccc(I)cc3s2)c1 ZINC001459304748 1067288242 /nfs/dbraw/zinc/28/82/42/1067288242.db2.gz MDGOWTGUEITOLP-GFCCVEGCSA-N 0 0 452.317 4.753 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CC(=O)NC(C)(C)C)O1 ZINC001546048399 1067288290 /nfs/dbraw/zinc/28/82/90/1067288290.db2.gz LODJBXKZYDUBIN-BNJIMDBKSA-N 0 0 487.714 4.830 20 0 JJADRN O=C(Nc1nc2ccc(I)cc2s1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001459304703 1067288378 /nfs/dbraw/zinc/28/83/78/1067288378.db2.gz KUQBPBUBAZONLR-GHMZBOCLSA-N 0 0 456.255 4.921 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cccc(C(=O)C(F)(F)F)c4)CC3)n2)cc1 ZINC001459306061 1067288818 /nfs/dbraw/zinc/28/88/18/1067288818.db2.gz IDABRGPGMOAHAS-KRWDZBQOSA-N 0 0 458.484 4.669 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)OCc1ccc(Cl)cc1Br ZINC001459305729 1067288828 /nfs/dbraw/zinc/28/88/28/1067288828.db2.gz ZNLLBDWITICAMF-UHFFFAOYSA-N 0 0 450.638 4.889 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCSC(C)(C)C2)O1 ZINC001546048552 1067289176 /nfs/dbraw/zinc/28/91/76/1067289176.db2.gz NQDFERGJTLYMIJ-MGPUTAFESA-N 0 0 468.465 4.715 20 0 JJADRN O=C(CN1CCC[C@H](c2nnc3n2CCCCC3)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001459307107 1067289210 /nfs/dbraw/zinc/28/92/10/1067289210.db2.gz ASMZGKCUVXRHOB-ZDUSSCGKSA-N 0 0 456.805 4.783 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(C)=C(C)C2)O1 ZINC001546048577 1067289628 /nfs/dbraw/zinc/28/96/28/1067289628.db2.gz NXLZWMKVFFGUOL-IBVKSMDESA-N 0 0 470.614 4.865 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(C)=C(C)C2)O1 ZINC001546048578 1067289729 /nfs/dbraw/zinc/28/97/29/1067289729.db2.gz NXLZWMKVFFGUOL-RXFWQSSRSA-N 0 0 470.614 4.865 20 0 JJADRN Cc1ccc(-c2nnc([C@H](C)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)o2)cc1C ZINC001459309215 1067290013 /nfs/dbraw/zinc/29/00/13/1067290013.db2.gz KCUNMPNVKMFQFF-IBGZPJMESA-N 0 0 450.558 4.890 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cc(Br)cs1 ZINC001459309658 1067290034 /nfs/dbraw/zinc/29/00/34/1067290034.db2.gz MAWCRYCCWMTSQJ-UHFFFAOYSA-N 0 0 454.390 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@@]3(C)Cc3ccccc3Cl)c2C1 ZINC001453226188 1067290369 /nfs/dbraw/zinc/29/03/69/1067290369.db2.gz MHFVTMIRGRFFPQ-DEOSSOPVSA-N 0 0 458.990 4.594 20 0 JJADRN CCOC(=O)C[C@](C)(NC(=O)CCc1ncc(-c2ccccc2Br)o1)C(C)C ZINC001459310077 1067290562 /nfs/dbraw/zinc/29/05/62/1067290562.db2.gz CGNLLNPMQYNAAF-NRFANRHFSA-N 0 0 451.361 4.521 20 0 JJADRN CCC(O)(CC)C(C)(C)CNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001453230879 1067290967 /nfs/dbraw/zinc/29/09/67/1067290967.db2.gz YWRNERTZLTZOTJ-MRXNPFEDSA-N 0 0 459.412 4.944 20 0 JJADRN O=C([C@@H](Sc1cc(F)ccc1F)c1ccccc1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453237565 1067291331 /nfs/dbraw/zinc/29/13/31/1067291331.db2.gz GMEOURAQLATVNT-QHCPKHFHSA-N 0 0 454.542 4.789 20 0 JJADRN O=C([C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N1CCC(O)(Cc2ccccn2)CC1 ZINC001453251897 1067291453 /nfs/dbraw/zinc/29/14/53/1067291453.db2.gz ZBHWISZVBGMUOL-HSZRJFAPSA-N 0 0 454.929 4.590 20 0 JJADRN CCOC(=O)c1c(NC(=O)COc2cc(F)c(F)cc2C=O)sc(C)c1C[C@H](C)CC ZINC001459316345 1067292087 /nfs/dbraw/zinc/29/20/87/1067292087.db2.gz ZCUPJBQKCDFDAO-GFCCVEGCSA-N 0 0 453.507 4.930 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)CC2)n1 ZINC001453264252 1067292084 /nfs/dbraw/zinc/29/20/84/1067292084.db2.gz RMVFCEKYHPOWHP-AREMUKBSSA-N 0 0 453.652 4.917 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2scnc2C)O1 ZINC001546048989 1067292098 /nfs/dbraw/zinc/29/20/98/1067292098.db2.gz SJBJPURGCVLBJE-QRWLVFNGSA-N 0 0 479.448 4.785 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)[C@@H]1COc2ccc(Br)cc21 ZINC001459316955 1067292530 /nfs/dbraw/zinc/29/25/30/1067292530.db2.gz VVEYFZGJBGMMQB-BLLLJJGKSA-N 0 0 452.732 4.633 20 0 JJADRN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001459316890 1067292754 /nfs/dbraw/zinc/29/27/54/1067292754.db2.gz VEYGNWYJORAUKQ-KRWDZBQOSA-N 0 0 456.995 4.795 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2ccccn2)O1 ZINC001546049027 1067292854 /nfs/dbraw/zinc/29/28/54/1067292854.db2.gz SYJKFVJXKUETGP-GBXCKJPGSA-N 0 0 457.525 4.926 20 0 JJADRN COc1ccc(F)cc1CNC(=O)c1csc(-c2cc(Br)ccc2OC)n1 ZINC001459318973 1067293642 /nfs/dbraw/zinc/29/36/42/1067293642.db2.gz ILYGWRBVKYSLSW-UHFFFAOYSA-N 0 0 451.317 4.659 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001459318874 1067293671 /nfs/dbraw/zinc/29/36/71/1067293671.db2.gz PKKYSSCAIJJZTG-CYFREDJKSA-N 0 0 457.014 4.589 20 0 JJADRN CC(C)(C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1)c1csc(-c2cc(F)ccc2F)n1 ZINC001453287839 1067293955 /nfs/dbraw/zinc/29/39/55/1067293955.db2.gz VZRTZMNYODEXDI-PKOBYXMFSA-N 0 0 456.558 4.991 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001453286862 1067294037 /nfs/dbraw/zinc/29/40/37/1067294037.db2.gz UNQRKZMVCHMYGR-VQTJNVASSA-N 0 0 456.011 4.551 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001459320147 1067293940 /nfs/dbraw/zinc/29/39/40/1067293940.db2.gz FXGOUUIXQUOPFB-BJZITVGISA-N 0 0 453.505 4.793 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)O1 ZINC001546048795 1067294324 /nfs/dbraw/zinc/29/43/24/1067294324.db2.gz QAHAOWSPJLZULA-PXDATVDWSA-N 0 0 478.584 4.883 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001453294023 1067294888 /nfs/dbraw/zinc/29/48/88/1067294888.db2.gz XHXXJWPDVQPDBG-QFUCXCTJSA-N 0 0 458.599 4.538 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001459323529 1067295008 /nfs/dbraw/zinc/29/50/08/1067295008.db2.gz MVSMAPMEGPTIOT-HNNXBMFYSA-N 0 0 459.955 4.520 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCOC(C)(C)C2)O1 ZINC001546049291 1067295298 /nfs/dbraw/zinc/29/52/98/1067295298.db2.gz XWGUAMVRGIQLIJ-AOMKIAJQSA-N 0 0 481.410 4.810 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)c1Br ZINC001453303451 1067296001 /nfs/dbraw/zinc/29/60/01/1067296001.db2.gz JYRYOGQBXZFFMS-UHFFFAOYSA-N 0 0 456.222 4.770 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC001453310204 1067296280 /nfs/dbraw/zinc/29/62/80/1067296280.db2.gz DGEORZUEOKCHSM-RTBURBONSA-N 0 0 458.605 4.632 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)cc1 ZINC001459332480 1067296871 /nfs/dbraw/zinc/29/68/71/1067296871.db2.gz MTKJQGLHBISNEG-UHFFFAOYSA-N 0 0 450.514 4.777 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN(C)CCCOc2ccccc2C)sc2c1CC[C@@H](C)C2 ZINC001459331899 1067296900 /nfs/dbraw/zinc/29/69/00/1067296900.db2.gz HWJDXQYPKKSIPZ-QGZVFWFLSA-N 0 0 458.624 4.697 20 0 JJADRN Cc1ccnc(NC(=O)CN(C)C(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)c1 ZINC001453319918 1067296936 /nfs/dbraw/zinc/29/69/36/1067296936.db2.gz OOPDOLODGWFGRS-UHFFFAOYSA-N 0 0 454.552 4.662 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)CC2 ZINC001459331954 1067297014 /nfs/dbraw/zinc/29/70/14/1067297014.db2.gz QTFINHNNQBNSKP-FGZHOGPDSA-N 0 0 455.396 4.867 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)CC2 ZINC001459335507 1067297331 /nfs/dbraw/zinc/29/73/31/1067297331.db2.gz UQBBTSARCDSGIY-RRQZXNHTSA-N 0 0 454.636 4.894 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)ccc1-c1ccc(Br)cc1 ZINC001459333357 1067297342 /nfs/dbraw/zinc/29/73/42/1067297342.db2.gz SVYOOMRVWJRALN-IRXDYDNUSA-N 0 0 455.274 4.678 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)ccc1-c1ccc(Br)cc1 ZINC001459333347 1067297446 /nfs/dbraw/zinc/29/74/46/1067297446.db2.gz SVYOOMRVWJRALN-DLBZAZTESA-N 0 0 455.274 4.678 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)ccc1-c1ccc(Br)cc1 ZINC001459333362 1067297495 /nfs/dbraw/zinc/29/74/95/1067297495.db2.gz SVYOOMRVWJRALN-SJORKVTESA-N 0 0 455.274 4.678 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)CC2 ZINC001459335501 1067297521 /nfs/dbraw/zinc/29/75/21/1067297521.db2.gz UQBBTSARCDSGIY-MPCDZSKCSA-N 0 0 454.636 4.894 20 0 JJADRN CCNc1ncc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1Cl ZINC001453327889 1067297673 /nfs/dbraw/zinc/29/76/73/1067297673.db2.gz SHHVHSDAHIBCTD-KRWDZBQOSA-N 0 0 451.011 4.666 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)c3ccc(Br)cc3N)nc21 ZINC001453324788 1067297737 /nfs/dbraw/zinc/29/77/37/1067297737.db2.gz GNLKXHJTIBZDLK-UHFFFAOYSA-N 0 0 457.147 4.664 20 0 JJADRN Cn1cc(CCC(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c2ccccc21 ZINC001453327561 1067297748 /nfs/dbraw/zinc/29/77/48/1067297748.db2.gz BJUPEAJUBJBLJX-NRFANRHFSA-N 0 0 453.627 4.997 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccccc1SCc1cccs1 ZINC001459338191 1067297968 /nfs/dbraw/zinc/29/79/68/1067297968.db2.gz RYGBVPVQUJWGAU-UHFFFAOYSA-N 0 0 456.564 4.904 20 0 JJADRN Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001459337884 1067298034 /nfs/dbraw/zinc/29/80/34/1067298034.db2.gz OUPZVYJGNVYFFO-RTBURBONSA-N 0 0 458.649 4.804 20 0 JJADRN COCCOCc1cc(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)ccc1F ZINC001459339995 1067298457 /nfs/dbraw/zinc/29/84/57/1067298457.db2.gz SMXZZSDGDWMASY-HXUWFJFHSA-N 0 0 454.311 4.771 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC001453333412 1067298540 /nfs/dbraw/zinc/29/85/40/1067298540.db2.gz KGIVWWBXELRUSF-FUHWJXTLSA-N 0 0 451.633 4.740 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CN2CCC(Oc3cc(C)ccc3C)CC2)c(OC)c1 ZINC001459344539 1067298719 /nfs/dbraw/zinc/29/87/19/1067298719.db2.gz MEMJMTIOGYVVBY-XMMPIXPASA-N 0 0 452.595 4.528 20 0 JJADRN CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC001459343482 1067298767 /nfs/dbraw/zinc/29/87/67/1067298767.db2.gz BEJZDLOSODPKJM-INIZCTEOSA-N 0 0 453.480 4.703 20 0 JJADRN COc1cnc2ccccc2c1C(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001453337467 1067299090 /nfs/dbraw/zinc/29/90/90/1067299090.db2.gz QEPXBXHUCKROQB-IBGZPJMESA-N 0 0 453.583 4.743 20 0 JJADRN Cn1cc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C2CCCCC2)n1 ZINC001453341121 1067299154 /nfs/dbraw/zinc/29/91/54/1067299154.db2.gz RCQFKDMDEZFADG-NRFANRHFSA-N 0 0 458.647 4.967 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)co2)ccn1 ZINC001453341197 1067299376 /nfs/dbraw/zinc/29/93/76/1067299376.db2.gz ZSIBXLJOXWSZFM-HXUWFJFHSA-N 0 0 454.571 4.544 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)co2)ccn1 ZINC001453341192 1067299394 /nfs/dbraw/zinc/29/93/94/1067299394.db2.gz ZSIBXLJOXWSZFM-FQEVSTJZSA-N 0 0 454.571 4.544 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c(NC(C)C)c1 ZINC001453348853 1067300132 /nfs/dbraw/zinc/30/01/32/1067300132.db2.gz PEFHEMNMNQXUAQ-UHFFFAOYSA-N 0 0 455.946 4.787 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c(NC(C)C)c1 ZINC001453350551 1067300162 /nfs/dbraw/zinc/30/01/62/1067300162.db2.gz UZAPYUVQYNESIK-UHFFFAOYSA-N 0 0 452.530 4.806 20 0 JJADRN C[C@]12CCN(C(=O)Cc3ccccc3C(F)(F)F)C[C@H]1C2(Br)Br ZINC001453358985 1067300417 /nfs/dbraw/zinc/30/04/17/1067300417.db2.gz QCFHBONFFCBIGD-OCCSQVGLSA-N 0 0 455.112 4.602 20 0 JJADRN Cc1oc(-c2ccccc2)nc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001453356339 1067300505 /nfs/dbraw/zinc/30/05/05/1067300505.db2.gz LBMMBBDKVNDWNI-DYVFJYSZSA-N 0 0 454.162 4.618 20 0 JJADRN Cc1ccc(NC(=O)NC(=O)CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1C ZINC001459350391 1067301038 /nfs/dbraw/zinc/30/10/38/1067301038.db2.gz NVMDCSIKFTZYCX-UHFFFAOYSA-N 0 0 451.489 4.641 20 0 JJADRN Cc1ccc(C(=O)N2CCN([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)CC2)s1 ZINC001459351717 1067301086 /nfs/dbraw/zinc/30/10/86/1067301086.db2.gz QSSDAYOYBMLMFT-ZDUSSCGKSA-N 0 0 451.379 4.932 20 0 JJADRN Cc1ccc(C(=O)N2CCN([C@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)CC2)s1 ZINC001459351714 1067301311 /nfs/dbraw/zinc/30/13/11/1067301311.db2.gz QSSDAYOYBMLMFT-CYBMUJFWSA-N 0 0 451.379 4.932 20 0 JJADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001459361013 1067302760 /nfs/dbraw/zinc/30/27/60/1067302760.db2.gz BWWIZKNWQMNEBH-GHTZIAJQSA-N 0 0 456.656 4.718 20 0 JJADRN CCC1(CC)CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)C1 ZINC001546108416 1067302817 /nfs/dbraw/zinc/30/28/17/1067302817.db2.gz BCHXJBHFXWGZTA-XMMPIXPASA-N 0 0 453.675 4.875 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Br)cc3OC)[nH]n2)cc1 ZINC001453394328 1067302970 /nfs/dbraw/zinc/30/29/70/1067302970.db2.gz BJBGHNHOHZHZAP-FQEVSTJZSA-N 0 0 456.340 4.834 20 0 JJADRN Cc1cccn2c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3Br)cnc12 ZINC001453392559 1067303013 /nfs/dbraw/zinc/30/30/13/1067303013.db2.gz WGNKISUSVRNHPP-KRWDZBQOSA-N 0 0 459.344 4.610 20 0 JJADRN Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC001459362026 1067303344 /nfs/dbraw/zinc/30/33/44/1067303344.db2.gz IZMQPKWGFCCMNZ-QGZVFWFLSA-N 0 0 451.283 4.886 20 0 JJADRN O=C(/C=C\c1cc(Cl)cc(Cl)c1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453395396 1067303331 /nfs/dbraw/zinc/30/33/31/1067303331.db2.gz BATNINBKKLLKNK-PULWLHHDSA-N 0 0 455.179 4.805 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC ZINC001453395841 1067303431 /nfs/dbraw/zinc/30/34/31/1067303431.db2.gz DOWNZCJGVILZCT-LJQANCHMSA-N 0 0 453.421 4.940 20 0 JJADRN Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC001459362021 1067303639 /nfs/dbraw/zinc/30/36/39/1067303639.db2.gz IZMQPKWGFCCMNZ-KRWDZBQOSA-N 0 0 451.283 4.886 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccncc1 ZINC001459364366 1067304072 /nfs/dbraw/zinc/30/40/72/1067304072.db2.gz KFIQVFLRXRVDNO-VWNXMTODSA-N 0 0 456.514 4.788 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC001453397742 1067303985 /nfs/dbraw/zinc/30/39/85/1067303985.db2.gz IFJMTKOBAGWUFQ-LJQANCHMSA-N 0 0 454.324 4.598 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cc1csc(-c2cccnc2)n1 ZINC001453399770 1067304565 /nfs/dbraw/zinc/30/45/65/1067304565.db2.gz MKGXJFQIXNYRNT-SFHVURJKSA-N 0 0 458.381 4.882 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)O1 ZINC001546051286 1067304823 /nfs/dbraw/zinc/30/48/23/1067304823.db2.gz IVNMZTYOQGXWGQ-QFQXNSOFSA-N 0 0 453.631 4.893 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc(Cl)ccc2-n2cncn2)CC1 ZINC001459370100 1067305219 /nfs/dbraw/zinc/30/52/19/1067305219.db2.gz DGASPOOKOFGSMZ-UHFFFAOYSA-N 0 0 459.775 4.877 20 0 JJADRN CCCN(C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)[C@H](C)CC(=O)Nc1ccccc1 ZINC001459370173 1067305234 /nfs/dbraw/zinc/30/52/34/1067305234.db2.gz WWOKHZYUKVXYAP-OAHLLOKOSA-N 0 0 455.509 4.814 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001459371877 1067305776 /nfs/dbraw/zinc/30/57/76/1067305776.db2.gz DSGRTZWGSXHXDK-QGZVFWFLSA-N 0 0 456.011 4.608 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CO1 ZINC001459373769 1067306229 /nfs/dbraw/zinc/30/62/29/1067306229.db2.gz XFWILDOTEUGTFK-REDKUUPNSA-N 0 0 459.480 4.630 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546051019 1067306306 /nfs/dbraw/zinc/30/63/06/1067306306.db2.gz FTEBHBKTKVYJFT-WZONZLPQSA-N 0 0 495.437 4.794 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001459373798 1067306682 /nfs/dbraw/zinc/30/66/82/1067306682.db2.gz HXAMWQMSIWFHBT-SFHVURJKSA-N 0 0 459.550 4.564 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC001459375691 1067307137 /nfs/dbraw/zinc/30/71/37/1067307137.db2.gz KICZTJNVTWPRPV-QGZVFWFLSA-N 0 0 453.583 4.905 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)Cc1ccccc1OCc1ccncc1 ZINC001459375690 1067307296 /nfs/dbraw/zinc/30/72/96/1067307296.db2.gz PGWLEZJQELWDFL-UHFFFAOYSA-N 0 0 453.498 4.764 20 0 JJADRN CC[C@H](CCc1ccccc1)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O ZINC001453461767 1067307278 /nfs/dbraw/zinc/30/72/78/1067307278.db2.gz FCVZTGSEPHIVSG-OAQYLSRUSA-N 0 0 456.542 4.638 20 0 JJADRN CCN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307588 /nfs/dbraw/zinc/30/75/88/1067307588.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 0 0 455.278 4.805 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001546108438 1067307705 /nfs/dbraw/zinc/30/77/05/1067307705.db2.gz BMZVBVKIFPJGPO-LEWJYISDSA-N 0 0 475.678 4.836 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)n[nH]2)cc1OC ZINC001453477887 1067307702 /nfs/dbraw/zinc/30/77/02/1067307702.db2.gz KSVGHJWQJXBMQW-UHFFFAOYSA-N 0 0 456.474 4.672 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)on1 ZINC001453472630 1067307725 /nfs/dbraw/zinc/30/77/25/1067307725.db2.gz AGPOWIDUCDLJMA-FQEVSTJZSA-N 0 0 457.983 4.564 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546051735 1067308943 /nfs/dbraw/zinc/30/89/43/1067308943.db2.gz OCCMTIUFYVZYQY-YWZLYKJASA-N 0 0 472.939 4.840 20 0 JJADRN Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC[C@H]1CCCN1CC(F)F ZINC001453483539 1067309045 /nfs/dbraw/zinc/30/90/45/1067309045.db2.gz ZLJZRLWBFXQBAK-OAHLLOKOSA-N 0 0 452.343 4.642 20 0 JJADRN C[C@H](OC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC001459382735 1067309214 /nfs/dbraw/zinc/30/92/14/1067309214.db2.gz SJBYRDUYTFVQCK-BXUJETTOSA-N 0 0 455.396 4.649 20 0 JJADRN CC(C)c1ncc(CN(C)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cn1 ZINC001459383344 1067309241 /nfs/dbraw/zinc/30/92/41/1067309241.db2.gz WLIAHTGYBWYWRM-JOCHJYFZSA-N 0 0 450.970 4.773 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)C1 ZINC001546108463 1067309623 /nfs/dbraw/zinc/30/96/23/1067309623.db2.gz BYJNDISAZYEGAC-DFBJGRDBSA-N 0 0 475.678 4.570 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)C1 ZINC001546108465 1067309731 /nfs/dbraw/zinc/30/97/31/1067309731.db2.gz BYJNDISAZYEGAC-UQBPGWFLSA-N 0 0 475.678 4.570 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CCOCC1 ZINC001453511468 1067310281 /nfs/dbraw/zinc/31/02/81/1067310281.db2.gz YJADQYNGMKOIGJ-UHFFFAOYSA-N 0 0 451.007 4.732 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546052140 1067310530 /nfs/dbraw/zinc/31/05/30/1067310530.db2.gz RZZCOMGKQKJPED-RDPSFJRHSA-N 0 0 457.525 4.926 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC001459389460 1067310692 /nfs/dbraw/zinc/31/06/92/1067310692.db2.gz CXQSUNAOQLKSRB-FOIQADDNSA-N 0 0 451.792 4.695 20 0 JJADRN Cc1cncc(N(Cc2ccccc2Br)C(=O)CCNC(=O)C2CCCCC2)c1 ZINC001459387879 1067310827 /nfs/dbraw/zinc/31/08/27/1067310827.db2.gz QCWBMQCEPJCLPI-UHFFFAOYSA-N 0 0 458.400 4.772 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)O1 ZINC001546052236 1067310828 /nfs/dbraw/zinc/31/08/28/1067310828.db2.gz TZAPFBZYQJTSIW-JBYIUTFZSA-N 0 0 467.536 4.544 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN(C)C[C@H]3CCCO[C@@H]3c3ccccc3)s2)cc1 ZINC001459394406 1067312305 /nfs/dbraw/zinc/31/23/05/1067312305.db2.gz RHHUJVUZZRSIRW-NFBKMPQASA-N 0 0 450.608 4.953 20 0 JJADRN O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001453541545 1067312333 /nfs/dbraw/zinc/31/23/33/1067312333.db2.gz RSCOSMZSWVJXAO-XJKSGUPXSA-N 0 0 459.324 4.630 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CC[C@H]1C(F)(F)F ZINC001453541285 1067312465 /nfs/dbraw/zinc/31/24/65/1067312465.db2.gz JAZOEZZWFOSVPC-JKSUJKDBSA-N 0 0 453.461 4.507 20 0 JJADRN Brc1ccc2nc(CN3CCO[C@H](c4ccccc4Br)C3)oc2c1 ZINC001459395172 1067312733 /nfs/dbraw/zinc/31/27/33/1067312733.db2.gz PGTWRWUIQRBHAG-KRWDZBQOSA-N 0 0 452.146 4.926 20 0 JJADRN O=C(c1c(F)ccc(I)c1Cl)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001453544044 1067312768 /nfs/dbraw/zinc/31/27/68/1067312768.db2.gz WSQKVDQKKBLFBW-RISCZKNCSA-N 0 0 451.707 4.505 20 0 JJADRN O=C(c1c(F)ccc(I)c1Cl)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001453544038 1067312953 /nfs/dbraw/zinc/31/29/53/1067312953.db2.gz WSQKVDQKKBLFBW-FZMZJTMJSA-N 0 0 451.707 4.505 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cccc(C(F)F)c2F)CC[C@H]1C(F)(F)F ZINC001453547443 1067313097 /nfs/dbraw/zinc/31/30/97/1067313097.db2.gz QRUGLIQDTMYPJH-BXUZGUMPSA-N 0 0 454.411 4.929 20 0 JJADRN COc1ncc(Br)cc1CNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC001453550082 1067313550 /nfs/dbraw/zinc/31/35/50/1067313550.db2.gz PSEOAHHJWBDHHX-UHFFFAOYSA-N 0 0 454.118 4.600 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCCCO2)C1 ZINC001546108560 1067313852 /nfs/dbraw/zinc/31/38/52/1067313852.db2.gz FMPUQGGJBWNBRN-RTWAWAEBSA-N 0 0 491.677 4.562 20 0 JJADRN Cc1cccc2[nH]cc(CC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)c21 ZINC001453552586 1067313965 /nfs/dbraw/zinc/31/39/65/1067313965.db2.gz YSPNTMZVVSLWIL-IRXDYDNUSA-N 0 0 453.505 4.571 20 0 JJADRN COc1ccc(F)c2[nH]c(C(=O)N3CCCc4cccc(CNC(=O)OC(C)(C)C)c43)cc21 ZINC001453552514 1067313987 /nfs/dbraw/zinc/31/39/87/1067313987.db2.gz YPTBHEMZIKMEJE-UHFFFAOYSA-N 0 0 453.514 4.933 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CC(C)(C)c4ccc(Br)cc43)n[nH]2)c(OC)c1 ZINC001453552140 1067314008 /nfs/dbraw/zinc/31/40/08/1067314008.db2.gz CDYPAYJVYNFOJI-UHFFFAOYSA-N 0 0 456.340 4.794 20 0 JJADRN COc1ccccc1C(C)(C)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001453552593 1067314339 /nfs/dbraw/zinc/31/43/39/1067314339.db2.gz YUPYDJYGGAFPCC-CVEARBPZSA-N 0 0 458.521 4.525 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)c(OC)c1 ZINC001459405115 1067314551 /nfs/dbraw/zinc/31/45/51/1067314551.db2.gz BTJVCEGXNLGUOK-RUZDIDTESA-N 0 0 452.595 4.596 20 0 JJADRN CC(C)Nc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001453566956 1067314995 /nfs/dbraw/zinc/31/49/95/1067314995.db2.gz OJSYVLIMXZZPHU-QGZVFWFLSA-N 0 0 456.384 4.750 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001459407587 1067314927 /nfs/dbraw/zinc/31/49/27/1067314927.db2.gz URBQICOXKXHQGC-QPPBQGQZSA-N 0 0 451.611 4.988 20 0 JJADRN CCO[C@H](C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@H]1CCOC1 ZINC001459408084 1067315112 /nfs/dbraw/zinc/31/51/12/1067315112.db2.gz ZQEWFKPIXGRYLT-PXNSSMCTSA-N 0 0 452.414 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001453575371 1067315428 /nfs/dbraw/zinc/31/54/28/1067315428.db2.gz HHADFQUJRARSOF-AZUAARDMSA-N 0 0 472.969 4.634 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cnn1-c1cc(C)ccc1C ZINC001453577461 1067315719 /nfs/dbraw/zinc/31/57/19/1067315719.db2.gz LZILBZSQRSKVNA-BJKOFHAPSA-N 0 0 474.605 4.930 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453578176 1067315768 /nfs/dbraw/zinc/31/57/68/1067315768.db2.gz OEJIWMQZWTYFIA-VQTJNVASSA-N 0 0 459.384 4.890 20 0 JJADRN COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c(OC)c1 ZINC001459410345 1067315868 /nfs/dbraw/zinc/31/58/68/1067315868.db2.gz SXIXNYJVWPAXHN-GOSISDBHSA-N 0 0 451.489 4.625 20 0 JJADRN COc1cc(/C=C(\C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c2ccccc2)ccc1O ZINC001453596667 1067317035 /nfs/dbraw/zinc/31/70/35/1067317035.db2.gz MNFJFLWVIFFMQQ-RYPRSFHQSA-N 0 0 451.563 4.768 20 0 JJADRN CCO[C@@H]1COCC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001459414236 1067317981 /nfs/dbraw/zinc/31/79/81/1067317981.db2.gz FIRWSHNILYUKDN-DYESRHJHSA-N 0 0 450.373 4.711 20 0 JJADRN CCO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001459415563 1067318122 /nfs/dbraw/zinc/31/81/22/1067318122.db2.gz FIRWSHNILYUKDN-LAUBAEHRSA-N 0 0 450.373 4.711 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)cc1 ZINC001453605113 1067318284 /nfs/dbraw/zinc/31/82/84/1067318284.db2.gz VZGIJDLYNMDHLX-HZCBDIJESA-N 0 0 458.624 4.900 20 0 JJADRN C[C@@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453607659 1067318495 /nfs/dbraw/zinc/31/84/95/1067318495.db2.gz LYEGAGJVVRUZGB-UZLBHIALSA-N 0 0 455.555 4.878 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2SC)O1 ZINC001546053442 1067318529 /nfs/dbraw/zinc/31/85/29/1067318529.db2.gz AQDGZQMUKDMVLJ-BWKNWUBXSA-N 0 0 451.640 4.970 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)N2CCOCC2)O1 ZINC001546053424 1067318561 /nfs/dbraw/zinc/31/85/61/1067318561.db2.gz AKWNTUURMLWKLE-LZCXECNNSA-N 0 0 489.730 4.786 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)N2CCOCC2)O1 ZINC001546053423 1067318684 /nfs/dbraw/zinc/31/86/84/1067318684.db2.gz AKWNTUURMLWKLE-ISJBWFOZSA-N 0 0 489.730 4.786 20 0 JJADRN COc1cc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c(C)c(OC)c1 ZINC001459416431 1067318980 /nfs/dbraw/zinc/31/89/80/1067318980.db2.gz RVRFWBOVWKBIPG-UHFFFAOYSA-N 0 0 457.573 4.819 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Cl)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453610615 1067318987 /nfs/dbraw/zinc/31/89/87/1067318987.db2.gz RZPWPCFUVPCEGG-AWEZNQCLSA-N 0 0 451.316 4.575 20 0 JJADRN O=C(NN1Cc2ccc(Br)cc2C1=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001453613167 1067319099 /nfs/dbraw/zinc/31/90/99/1067319099.db2.gz DVROXGRBFKKGND-UHFFFAOYSA-N 0 0 458.699 4.591 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)O1 ZINC001546053588 1067319494 /nfs/dbraw/zinc/31/94/94/1067319494.db2.gz CMKQOGSIXGWZBW-MHECFPHRSA-N 0 0 459.516 4.665 20 0 JJADRN CN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417824 1067319726 /nfs/dbraw/zinc/31/97/26/1067319726.db2.gz YMMWOVLQSWWKED-GOSISDBHSA-N 0 0 457.290 4.817 20 0 JJADRN COc1ccc(Nc2cccc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)c2)cc1 ZINC001453635158 1067319799 /nfs/dbraw/zinc/31/97/99/1067319799.db2.gz YIGRLKQTRBNZIE-UHFFFAOYSA-N 0 0 453.564 4.558 20 0 JJADRN C[C@H]1CC(=O)Nc2ccc(C(=O)N[C@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)cc2N1 ZINC001453645736 1067320432 /nfs/dbraw/zinc/32/04/32/1067320432.db2.gz VKLGEFRCDXYVNR-LIRRHRJNSA-N 0 0 450.539 4.594 20 0 JJADRN Cn1ccnc1[C@@H](CC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)C(F)(F)F ZINC001453644460 1067320562 /nfs/dbraw/zinc/32/05/62/1067320562.db2.gz SLFLILKPUKWWRK-SJORKVTESA-N 0 0 452.477 4.607 20 0 JJADRN CCCOc1ccc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC001459421304 1067320526 /nfs/dbraw/zinc/32/05/26/1067320526.db2.gz UOZBHDGCIKPITI-UHFFFAOYSA-N 0 0 458.624 4.561 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001459422985 1067321293 /nfs/dbraw/zinc/32/12/93/1067321293.db2.gz CABQDDBTHCTPPD-QFIPXVFZSA-N 0 0 451.394 4.608 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(F)c3N3CCOCC3)nc2)cc1 ZINC001459422999 1067321339 /nfs/dbraw/zinc/32/13/39/1067321339.db2.gz BGDJURCFHHUPHV-UHFFFAOYSA-N 0 0 457.889 4.764 20 0 JJADRN COc1cc2ccccc2cc1C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453680346 1067321670 /nfs/dbraw/zinc/32/16/70/1067321670.db2.gz IXBXWOXYBUEZBT-TZIWHRDSSA-N 0 0 456.464 4.525 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 ZINC001459424293 1067322241 /nfs/dbraw/zinc/32/22/41/1067322241.db2.gz FPAZSYNFXUCJFM-SANMLTNESA-N 0 0 454.567 4.521 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2COC(C)(C)OC2)O1 ZINC001546053901 1067322210 /nfs/dbraw/zinc/32/22/10/1067322210.db2.gz GUPKCIHPQFESEO-SQJMNOBHSA-N 0 0 477.049 4.705 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C[C@@](C)(C(F)F)O1 ZINC001453686915 1067322351 /nfs/dbraw/zinc/32/23/51/1067322351.db2.gz AQMYBGUEEHAHCD-WYRIXSBYSA-N 0 0 459.262 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)[C@H](c2cccc(Cl)c2)C1 ZINC001459425302 1067322537 /nfs/dbraw/zinc/32/25/37/1067322537.db2.gz KLBPGDGGAFWZSM-NRFANRHFSA-N 0 0 454.958 4.510 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001453688915 1067322585 /nfs/dbraw/zinc/32/25/85/1067322585.db2.gz PXWZWXPQZWBFSS-QZTJIDSGSA-N 0 0 458.331 4.541 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)c3cnc4ccnn4c3C(F)F)nc21 ZINC001459426363 1067322714 /nfs/dbraw/zinc/32/27/14/1067322714.db2.gz UELLLLUMIHRMEY-UHFFFAOYSA-N 0 0 452.284 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@H](c2cccc(Cl)c2)C1 ZINC001459427437 1067322990 /nfs/dbraw/zinc/32/29/90/1067322990.db2.gz SDNNTWLOTGWHQQ-FQEVSTJZSA-N 0 0 450.913 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(C(C)(C)C)nc2)[C@H](c2cccc(Cl)c2)C1 ZINC001459427448 1067323020 /nfs/dbraw/zinc/32/30/20/1067323020.db2.gz SKIXVNCODXRTEC-IBGZPJMESA-N 0 0 458.990 4.862 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001459427452 1067323048 /nfs/dbraw/zinc/32/30/48/1067323048.db2.gz SKLMJUJDBDSTAY-CCLHPLFOSA-N 0 0 452.595 4.808 20 0 JJADRN O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001453697420 1067323110 /nfs/dbraw/zinc/32/31/10/1067323110.db2.gz OZUKUADHPPRXHA-UHFFFAOYSA-N 0 0 451.935 4.956 20 0 JJADRN C[C@](CO)(NC(=O)Cc1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001453698057 1067323535 /nfs/dbraw/zinc/32/35/35/1067323535.db2.gz LHTBIACXDMWNGA-QGZVFWFLSA-N 0 0 450.682 4.688 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001459429156 1067323502 /nfs/dbraw/zinc/32/35/02/1067323502.db2.gz RSIWDEHEXOCOGT-KKSFZXQISA-N 0 0 453.539 4.540 20 0 JJADRN CCc1nc(C(=O)OCc2c(F)ccc(Br)c2F)nn1-c1ccccc1Cl ZINC001459428939 1067323516 /nfs/dbraw/zinc/32/35/16/1067323516.db2.gz RHIVATCAZZSABM-UHFFFAOYSA-N 0 0 456.674 4.881 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCCC2)O1 ZINC001546053990 1067323747 /nfs/dbraw/zinc/32/37/47/1067323747.db2.gz HVNNPUQVZZCBMH-IPVFLDMMSA-N 0 0 491.677 4.705 20 0 JJADRN CC(C)(C)OC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 ZINC001459429211 1067323952 /nfs/dbraw/zinc/32/39/52/1067323952.db2.gz XSKFLKIBULWLNB-SFHVURJKSA-N 0 0 452.979 4.582 20 0 JJADRN O[C@@H](COc1cccc(C(F)(F)F)c1)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001459429636 1067324105 /nfs/dbraw/zinc/32/41/05/1067324105.db2.gz UXVOCCRUAUQUPE-BEFAXECRSA-N 0 0 450.284 4.825 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1F ZINC001453718079 1067324424 /nfs/dbraw/zinc/32/44/24/1067324424.db2.gz HISMJGLUEYXVQH-SJLPKXTDSA-N 0 0 467.994 4.834 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC[C@H]1F ZINC001453718554 1067324471 /nfs/dbraw/zinc/32/44/71/1067324471.db2.gz JDUVXSGTCFIIAQ-SFNKJDCFSA-N 0 0 459.587 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001453712396 1067324553 /nfs/dbraw/zinc/32/45/53/1067324553.db2.gz QGXHDKXCTIOJGM-VGOFRKELSA-N 0 0 453.366 4.583 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC001546054356 1067324701 /nfs/dbraw/zinc/32/47/01/1067324701.db2.gz MYAZZRIZYIWEOO-ATIYNZHBSA-N 0 0 488.076 4.830 20 0 JJADRN Cc1ccc(NC(=O)CN(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C ZINC001459436190 1067324846 /nfs/dbraw/zinc/32/48/46/1067324846.db2.gz BMIBWZXKAWVATG-UHFFFAOYSA-N 0 0 452.982 4.969 20 0 JJADRN Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 ZINC001459435993 1067324990 /nfs/dbraw/zinc/32/49/90/1067324990.db2.gz IRNNEJPBNMLSAP-HNNXBMFYSA-N 0 0 452.357 4.534 20 0 JJADRN COc1ccc(F)cc1-c1cncc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC001459440509 1067325636 /nfs/dbraw/zinc/32/56/36/1067325636.db2.gz UAFKHXRNFLMHBQ-UHFFFAOYSA-N 0 0 457.908 4.647 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCc3nc(C(F)(F)F)ncc3C2)O1 ZINC001546054415 1067325561 /nfs/dbraw/zinc/32/55/61/1067325561.db2.gz NTCCCIBEYLJMJZ-ZHRRBRCNSA-N 0 0 466.552 4.586 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)nc1 ZINC001453740270 1067325930 /nfs/dbraw/zinc/32/59/30/1067325930.db2.gz RTVFVNJGDJTORD-HXUWFJFHSA-N 0 0 455.555 4.600 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)nc1 ZINC001453740257 1067325998 /nfs/dbraw/zinc/32/59/98/1067325998.db2.gz RTVFVNJGDJTORD-FQEVSTJZSA-N 0 0 455.555 4.600 20 0 JJADRN CON(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001453740682 1067326055 /nfs/dbraw/zinc/32/60/55/1067326055.db2.gz SXHQZHVWBZQANN-AWEZNQCLSA-N 0 0 458.502 4.547 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1ccc(Cl)cc1F ZINC001453740592 1067326063 /nfs/dbraw/zinc/32/60/63/1067326063.db2.gz SFZIXDCGLRBFLW-UHFFFAOYSA-N 0 0 454.727 4.668 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)Cc1nc(C2CCCC2)cs1)c1ccc(Br)cc1 ZINC001453742420 1067326483 /nfs/dbraw/zinc/32/64/83/1067326483.db2.gz KFKSKEAAEOTHIS-HXUWFJFHSA-N 0 0 459.413 4.745 20 0 JJADRN CC(=O)N(c1nc(CN2CCCC[C@@H]2C2OCCO2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459450214 1067326592 /nfs/dbraw/zinc/32/65/92/1067326592.db2.gz HIWBHTGRYMDPQJ-GOSISDBHSA-N 0 0 456.395 4.862 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)O1 ZINC001546054464 1067326700 /nfs/dbraw/zinc/32/67/00/1067326700.db2.gz OMHQDQIUFVUCHC-IEGUWTFLSA-N 0 0 450.986 4.949 20 0 JJADRN C[C@H](O)CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC001459452990 1067326939 /nfs/dbraw/zinc/32/69/39/1067326939.db2.gz SYXICGMNTTZJCV-SFHVURJKSA-N 0 0 454.636 4.812 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC001459453745 1067326975 /nfs/dbraw/zinc/32/69/75/1067326975.db2.gz RODFOOIAHMUVIH-OAHLLOKOSA-N 0 0 452.857 4.875 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC001453748289 1067327079 /nfs/dbraw/zinc/32/70/79/1067327079.db2.gz QHMMWWKWQNGXEG-MRXNPFEDSA-N 0 0 454.246 4.601 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)O1 ZINC001546054600 1067327450 /nfs/dbraw/zinc/32/74/50/1067327450.db2.gz PNGMTQVXCKZABS-BBTUJRGHSA-N 0 0 472.939 4.638 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCCc2cc(Br)ccc21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001453767905 1067327922 /nfs/dbraw/zinc/32/79/22/1067327922.db2.gz ILZWLRIVLWSDGK-AUUYWEPGSA-N 0 0 451.405 4.836 20 0 JJADRN CCCc1sc(C(=O)N2CCc3[nH]cnc3[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1CC ZINC001453768120 1067328224 /nfs/dbraw/zinc/32/82/24/1067328224.db2.gz CRWBKIYXJCNWFC-DEOSSOPVSA-N 0 0 458.628 4.521 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(CC(=O)Nc2ccc(Cl)nc2)Cc2ccccc2)C1 ZINC001459458502 1067328468 /nfs/dbraw/zinc/32/84/68/1067328468.db2.gz PMCDKWXCUUDNLD-FQEVSTJZSA-N 0 0 458.990 4.575 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCCCC1 ZINC001453770628 1067328526 /nfs/dbraw/zinc/32/85/26/1067328526.db2.gz MFSBDHYFAVZEKR-IBGZPJMESA-N 0 0 450.421 4.743 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001546109008 1067328612 /nfs/dbraw/zinc/32/86/12/1067328612.db2.gz QXUYIDOCPUBBJE-SFHVURJKSA-N 0 0 467.536 4.921 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2ccc(OC(F)F)nc2)s1 ZINC001459457967 1067328663 /nfs/dbraw/zinc/32/86/63/1067328663.db2.gz OXJNXGXJGAWXOO-UHFFFAOYSA-N 0 0 456.268 4.830 20 0 JJADRN O=C(Nc1n[nH]cc1I)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001453773782 1067328864 /nfs/dbraw/zinc/32/88/64/1067328864.db2.gz GWXPZXUKYNMSMW-UHFFFAOYSA-N 0 0 459.243 4.592 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001453772884 1067328914 /nfs/dbraw/zinc/32/89/14/1067328914.db2.gz QBGNFVALHLGAKQ-FQEVSTJZSA-N 0 0 454.983 4.969 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001453772584 1067329064 /nfs/dbraw/zinc/32/90/64/1067329064.db2.gz OYPQRTLUOBDZGV-CRYYWNKWSA-N 0 0 458.324 4.762 20 0 JJADRN C[C@@H]1CC[C@@H](CCC(=O)N2CCCn3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc32)O1 ZINC001453775049 1067329263 /nfs/dbraw/zinc/32/92/63/1067329263.db2.gz NCBGSGWYWFURAX-XLIONFOSSA-N 0 0 454.571 4.982 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(C(F)(F)F)cc1 ZINC001459460686 1067329544 /nfs/dbraw/zinc/32/95/44/1067329544.db2.gz CESHSOGSNOWKRB-OAHLLOKOSA-N 0 0 454.876 4.639 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)c1scc(Br)c1Br ZINC001453788065 1067329607 /nfs/dbraw/zinc/32/96/07/1067329607.db2.gz SNMCIBYMGISSGZ-HNNXBMFYSA-N 0 0 453.196 4.610 20 0 JJADRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCC(COC)CC1 ZINC001459461871 1067330067 /nfs/dbraw/zinc/33/00/67/1067330067.db2.gz DPYUTZGPELLQAF-UHFFFAOYSA-N 0 0 450.988 4.542 20 0 JJADRN CCOc1ccc(Br)cc1CN(C[C@@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463312 1067330364 /nfs/dbraw/zinc/33/03/64/1067330364.db2.gz IBDYALSZWFKATH-HXUWFJFHSA-N 0 0 451.405 4.966 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC001453820349 1067330524 /nfs/dbraw/zinc/33/05/24/1067330524.db2.gz OREVOTUJDXPJTG-YADHBBJMSA-N 0 0 459.876 4.680 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC001453817670 1067330711 /nfs/dbraw/zinc/33/07/11/1067330711.db2.gz TZKLZTDVMTYXPV-OAHLLOKOSA-N 0 0 458.946 4.573 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)C1 ZINC001453820406 1067331091 /nfs/dbraw/zinc/33/10/91/1067331091.db2.gz LADHZZFZLMMSNR-PGRDOPGGSA-N 0 0 458.496 4.834 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2sncc2Br)CC1 ZINC001459465944 1067331185 /nfs/dbraw/zinc/33/11/85/1067331185.db2.gz JRZHEULGRPRIPG-INIZCTEOSA-N 0 0 459.251 4.937 20 0 JJADRN CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001459466144 1067331261 /nfs/dbraw/zinc/33/12/61/1067331261.db2.gz RMVAMOPSZBHQQU-UHFFFAOYSA-N 0 0 454.514 4.855 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC001546055344 1067331739 /nfs/dbraw/zinc/33/17/39/1067331739.db2.gz ZTCDYSYSHISDGS-DHLKQENFSA-N 0 0 460.066 4.800 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC001459468631 1067332181 /nfs/dbraw/zinc/33/21/81/1067332181.db2.gz OEVAVKJRRISUMC-IERDGZPVSA-N 0 0 455.400 4.666 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)c(OCc2ccccc2)c1 ZINC001453858965 1067332310 /nfs/dbraw/zinc/33/23/10/1067332310.db2.gz DLBUAVLTJSKYTD-XMMPIXPASA-N 0 0 450.579 4.718 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1 ZINC001459468754 1067332293 /nfs/dbraw/zinc/33/22/93/1067332293.db2.gz FMYGKDFFECEVCX-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN CC(C)[C@@H](CCNC(=O)c1c(Cl)cc(F)cc1Br)NC(=O)OC(C)(C)C ZINC001453867902 1067332613 /nfs/dbraw/zinc/33/26/13/1067332613.db2.gz CIDRDSVRNOBDKO-CQSZACIVSA-N 0 0 451.764 4.911 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)CC(=O)OC(C)(C)C ZINC001453866490 1067332697 /nfs/dbraw/zinc/33/26/97/1067332697.db2.gz FBZBKWWWGMYCKQ-JFJAIVLJSA-N 0 0 450.417 4.845 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC001459468713 1067332688 /nfs/dbraw/zinc/33/26/88/1067332688.db2.gz WPYKIMPPHFFTJX-UHFFFAOYSA-N 0 0 450.970 4.644 20 0 JJADRN C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Br)cc1 ZINC001459469388 1067332723 /nfs/dbraw/zinc/33/27/23/1067332723.db2.gz NZCWZICOGRRYKL-OPAMFIHVSA-N 0 0 451.405 4.802 20 0 JJADRN Cc1ccccc1COCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl ZINC001459470367 1067333402 /nfs/dbraw/zinc/33/34/02/1067333402.db2.gz WKILFTRILDEKOF-QFIPXVFZSA-N 0 0 458.986 4.986 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC001453879238 1067333566 /nfs/dbraw/zinc/33/35/66/1067333566.db2.gz XZOXCZPARXZVKF-UHFFFAOYSA-N 0 0 450.395 4.970 20 0 JJADRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001459471634 1067333856 /nfs/dbraw/zinc/33/38/56/1067333856.db2.gz WTIIXQJOIOVEDV-AREMUKBSSA-N 0 0 458.599 4.814 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2ncsc2Br)CC1 ZINC001459471797 1067333965 /nfs/dbraw/zinc/33/39/65/1067333965.db2.gz XHENTPOIPNRPLX-MRXNPFEDSA-N 0 0 459.251 4.937 20 0 JJADRN CN(Cc1cc(Br)cc(F)c1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001459473123 1067334214 /nfs/dbraw/zinc/33/42/14/1067334214.db2.gz DITIQOMURSJTIG-ZDUSSCGKSA-N 0 0 454.233 4.618 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001453880559 1067334237 /nfs/dbraw/zinc/33/42/37/1067334237.db2.gz WNELEYBFZTWVGO-GOTSBHOMSA-N 0 0 452.551 4.857 20 0 JJADRN COc1ccc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(Br)c1OC ZINC001459473355 1067334301 /nfs/dbraw/zinc/33/43/01/1067334301.db2.gz CFDZTYWZCQXXQK-CQSZACIVSA-N 0 0 457.409 4.592 20 0 JJADRN CC1(C)CCC[C@H]1CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001453891628 1067334527 /nfs/dbraw/zinc/33/45/27/1067334527.db2.gz APVIFUYQSKSUMC-QFBILLFUSA-N 0 0 453.396 4.916 20 0 JJADRN O=C(OCc1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001459476717 1067334772 /nfs/dbraw/zinc/33/47/72/1067334772.db2.gz LLWTYLPXUFOJRN-OAQYLSRUSA-N 0 0 452.352 4.614 20 0 JJADRN O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001459476136 1067334973 /nfs/dbraw/zinc/33/49/73/1067334973.db2.gz MVCAQSYSEYUKIL-FQEVSTJZSA-N 0 0 453.420 4.693 20 0 JJADRN C[C@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)C[C@@H](CC(F)(F)F)O1 ZINC001453904886 1067334992 /nfs/dbraw/zinc/33/49/92/1067334992.db2.gz SPIZVBHOWLVXSR-DTWKUNHWSA-N 0 0 455.321 4.816 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC001453894823 1067335136 /nfs/dbraw/zinc/33/51/36/1067335136.db2.gz XIPXYBVVZNNUNF-AVRDEDQJSA-N 0 0 453.366 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)c1c(F)cccc1F ZINC001453909352 1067335433 /nfs/dbraw/zinc/33/54/33/1067335433.db2.gz MDLKXVCYGQUTAK-INIZCTEOSA-N 0 0 454.836 4.838 20 0 JJADRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001459478618 1067335335 /nfs/dbraw/zinc/33/53/35/1067335335.db2.gz QRMZHGLBGKEIJG-HXUWFJFHSA-N 0 0 454.313 4.981 20 0 JJADRN COc1ccc(CC(=O)Nc2ncc(C(F)(F)F)cc2Br)cc1OC(F)F ZINC001459478270 1067335354 /nfs/dbraw/zinc/33/53/54/1067335354.db2.gz MIZOZMUSDDJANW-UHFFFAOYSA-N 0 0 455.177 4.654 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)c1Br ZINC001459478231 1067335467 /nfs/dbraw/zinc/33/54/67/1067335467.db2.gz MFHGCDWNYWMVOB-UHFFFAOYSA-N 0 0 456.060 4.655 20 0 JJADRN CC(C)c1ncc2c(n1)CCN(C(=O)C(C)(C)[C@H](O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001453920167 1067335574 /nfs/dbraw/zinc/33/55/74/1067335574.db2.gz NRNNAEMIYZVDSW-RUZDIDTESA-N 0 0 459.590 4.824 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC3(O)CCC(F)(F)CC3)c3ccccc3n2)cc1OC ZINC001453907638 1067335598 /nfs/dbraw/zinc/33/55/98/1067335598.db2.gz NPZMNGBAEYZNHG-UHFFFAOYSA-N 0 0 456.489 4.589 20 0 JJADRN COCCN(CC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1)CC(=O)OC(C)(C)C ZINC001459489127 1067337277 /nfs/dbraw/zinc/33/72/77/1067337277.db2.gz WSMOGMQOCQPDIF-UHFFFAOYSA-N 0 0 458.624 4.683 20 0 JJADRN COCc1c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)sc2cccc(F)c21 ZINC001459493399 1067338066 /nfs/dbraw/zinc/33/80/66/1067338066.db2.gz WOFKYAXIQMFNTE-CQSZACIVSA-N 0 0 454.292 4.952 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)[C@@H](c2ccncc2)C1 ZINC001459495437 1067338525 /nfs/dbraw/zinc/33/85/25/1067338525.db2.gz YUINCHKJGNXPQZ-HXUWFJFHSA-N 0 0 451.498 4.915 20 0 JJADRN Cc1cccc2oc(CCNC(=O)[C@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)nc21 ZINC001459494279 1067338537 /nfs/dbraw/zinc/33/85/37/1067338537.db2.gz TUFJKROXAVSGFT-QMHKHESXSA-N 0 0 457.933 4.586 20 0 JJADRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459496215 1067339256 /nfs/dbraw/zinc/33/92/56/1067339256.db2.gz ZSJBZPIOGFZYEX-DYVFJYSZSA-N 0 0 455.864 4.842 20 0 JJADRN CCc1oc(C(=O)OC)cc1CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459503501 1067339461 /nfs/dbraw/zinc/33/94/61/1067339461.db2.gz PUTUZGBSHJPUOF-UHFFFAOYSA-N 0 0 451.498 4.970 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC001459507629 1067340514 /nfs/dbraw/zinc/34/05/14/1067340514.db2.gz ICBAOWUWDHATDA-XYJFISCASA-N 0 0 457.983 4.768 20 0 JJADRN CCc1nc(C(=O)N2CCC(c3cccc(Br)c3)CC2)nn1-c1ccccc1F ZINC001459506858 1067340587 /nfs/dbraw/zinc/34/05/87/1067340587.db2.gz BFZPWRMUCBNWKP-UHFFFAOYSA-N 0 0 457.347 4.751 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001459507626 1067340631 /nfs/dbraw/zinc/34/06/31/1067340631.db2.gz ICBAOWUWDHATDA-SOLBZPMBSA-N 0 0 457.983 4.768 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC001459508288 1067341041 /nfs/dbraw/zinc/34/10/41/1067341041.db2.gz HBPOKCMOXWOIIQ-SFHVURJKSA-N 0 0 456.274 4.653 20 0 JJADRN CS(=O)(=O)c1cccc(OCCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001459510198 1067341665 /nfs/dbraw/zinc/34/16/65/1067341665.db2.gz BXAXFJXXXAVOAT-UHFFFAOYSA-N 0 0 458.407 4.567 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CCc4ccccc4[C@@]3(C)C(F)(F)F)no2)c1 ZINC001459511771 1067341950 /nfs/dbraw/zinc/34/19/50/1067341950.db2.gz JCNCJRWDMLMCLK-QHCPKHFHSA-N 0 0 458.436 4.932 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)CCc2cccc(F)c2Br)c(OC)c1 ZINC001459511438 1067342109 /nfs/dbraw/zinc/34/21/09/1067342109.db2.gz RPWVSQDWOZJNOE-UHFFFAOYSA-N 0 0 450.348 4.977 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)Oc3cc(F)c(Br)cc3Cl)n2)cc1 ZINC001459511342 1067342146 /nfs/dbraw/zinc/34/21/46/1067342146.db2.gz LBXAXODEMXRRDV-UHFFFAOYSA-N 0 0 455.667 4.838 20 0 JJADRN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001459514623 1067342477 /nfs/dbraw/zinc/34/24/77/1067342477.db2.gz NQAXAQHWCAQMBR-DLBZAZTESA-N 0 0 453.396 4.725 20 0 JJADRN FC(F)C(F)(F)CN1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001459518576 1067343092 /nfs/dbraw/zinc/34/30/92/1067343092.db2.gz VTDONRNNZIQXMB-UHFFFAOYSA-N 0 0 452.315 4.591 20 0 JJADRN CC[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC001459521158 1067343408 /nfs/dbraw/zinc/34/34/08/1067343408.db2.gz YRPDAVMLMRGCHD-AVRDEDQJSA-N 0 0 453.583 4.982 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1 ZINC001459521515 1067343835 /nfs/dbraw/zinc/34/38/35/1067343835.db2.gz XIDOAKCULULIDK-VWLOTQADSA-N 0 0 458.599 4.659 20 0 JJADRN COc1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(OC)c(C)c1OC ZINC001459521382 1067343910 /nfs/dbraw/zinc/34/39/10/1067343910.db2.gz OWWZMFCUVLAZQB-GOSISDBHSA-N 0 0 450.576 4.823 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN(C)Cc3cc(OC)c(OC)cc3SC)cs2)c1 ZINC001459522013 1067343969 /nfs/dbraw/zinc/34/39/69/1067343969.db2.gz BEFVBSHNVHEBOY-UHFFFAOYSA-N 0 0 458.605 4.968 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1ccc(Br)c2cccnc12 ZINC001459524478 1067344734 /nfs/dbraw/zinc/34/47/34/1067344734.db2.gz FTUFARNDUKPVEV-UHFFFAOYSA-N 0 0 454.324 4.680 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001459527521 1067344786 /nfs/dbraw/zinc/34/47/86/1067344786.db2.gz LIOQQCHBBQHEKE-LSDHHAIUSA-N 0 0 457.764 4.708 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCc1ccncc1OCC(F)(F)F ZINC001459527265 1067344991 /nfs/dbraw/zinc/34/49/91/1067344991.db2.gz IPZCBBVDDHZCCU-IAGOWNOFSA-N 0 0 459.509 4.503 20 0 JJADRN COc1ccc(CN(C(=O)Cc2cc(F)ccc2Br)[C@@H](C)C2CC2)c(OC)c1 ZINC001459527282 1067345152 /nfs/dbraw/zinc/34/51/52/1067345152.db2.gz IVCXZPKJPSMSPO-AWEZNQCLSA-N 0 0 450.348 4.975 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCOc2c(Br)cccc21 ZINC001459528327 1067345537 /nfs/dbraw/zinc/34/55/37/1067345537.db2.gz OLABROJJWAUYHA-UHFFFAOYSA-N 0 0 454.346 4.600 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cs2)cc1 ZINC001459535729 1067347620 /nfs/dbraw/zinc/34/76/20/1067347620.db2.gz BVDZXWCBHPXGCO-LJQANCHMSA-N 0 0 451.567 4.867 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1F ZINC001459546369 1067348553 /nfs/dbraw/zinc/34/85/53/1067348553.db2.gz WFIVKDOWYKDCJK-UHFFFAOYSA-N 0 0 459.370 4.582 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001459552530 1067349481 /nfs/dbraw/zinc/34/94/81/1067349481.db2.gz FFZQALYNIZNCBB-QGZVFWFLSA-N 0 0 459.862 4.913 20 0 JJADRN Cc1nn(C)c2nc(C)cc(C(=O)N3CCC(F)(c4ccccc4OC(F)(F)F)CC3)c12 ZINC001459552807 1067349503 /nfs/dbraw/zinc/34/95/03/1067349503.db2.gz CWRROPLHZXMZNS-UHFFFAOYSA-N 0 0 450.436 4.585 20 0 JJADRN O=C(CCCNC(=O)c1ccc(F)cc1F)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC001459553701 1067349855 /nfs/dbraw/zinc/34/98/55/1067349855.db2.gz FUYJAGWCEJOZOL-KRWDZBQOSA-N 0 0 452.782 4.687 20 0 JJADRN CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1nc2ccc(Cl)cc2s1 ZINC001459553755 1067349906 /nfs/dbraw/zinc/34/99/06/1067349906.db2.gz GBMIFWXPQLGJME-CJNGLKHVSA-N 0 0 452.761 4.848 20 0 JJADRN Cc1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)nn1-c1c(Cl)cccc1Cl ZINC001459562088 1067351985 /nfs/dbraw/zinc/35/19/85/1067351985.db2.gz GNEDPONJWRUPNC-ZETCQYMHSA-N 0 0 450.273 4.849 20 0 JJADRN O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC001459562465 1067352132 /nfs/dbraw/zinc/35/21/32/1067352132.db2.gz VQBHSCVJWDWWRN-QGZVFWFLSA-N 0 0 450.476 4.696 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 ZINC001459562110 1067352154 /nfs/dbraw/zinc/35/21/54/1067352154.db2.gz GSNNBKVJRLGOBC-IFMALSPDSA-N 0 0 480.609 4.801 20 0 JJADRN CCOC(=O)C1=C(CN2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563726 1067352371 /nfs/dbraw/zinc/35/23/71/1067352371.db2.gz NCEHQRXYVHYQGU-LYLBAIIYSA-N 0 0 457.958 4.577 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1Br ZINC001459564759 1067352762 /nfs/dbraw/zinc/35/27/62/1067352762.db2.gz QKJIFXGKGLDDOJ-HNNXBMFYSA-N 0 0 452.190 4.837 20 0 JJADRN CCc1nc2ccc(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)cc2nc1CC ZINC001459564722 1067352800 /nfs/dbraw/zinc/35/28/00/1067352800.db2.gz PMNNNHOKGXANDY-QGZVFWFLSA-N 0 0 453.384 4.526 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001459564771 1067352906 /nfs/dbraw/zinc/35/29/06/1067352906.db2.gz QOBNMRRYCPZERS-QWGSZXSUSA-N 0 0 455.274 4.756 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1c(Cl)cc(F)cc1Cl ZINC001459567186 1067353560 /nfs/dbraw/zinc/35/35/60/1067353560.db2.gz FIUPLGUDOHZLNZ-UHFFFAOYSA-N 0 0 458.118 4.748 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)c1ccc(Br)s1 ZINC001459570160 1067354510 /nfs/dbraw/zinc/35/45/10/1067354510.db2.gz AMWPNQPSUUGXST-LLVKDONJSA-N 0 0 457.187 4.819 20 0 JJADRN CCN(C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl)c1ncccc1C ZINC001459576113 1067355466 /nfs/dbraw/zinc/35/54/66/1067355466.db2.gz JTXCLIQWWAMXTH-UHFFFAOYSA-N 0 0 457.983 4.925 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)no2)c1 ZINC001459581125 1067356416 /nfs/dbraw/zinc/35/64/16/1067356416.db2.gz GZWVCZUHHCUPHF-AZUAARDMSA-N 0 0 455.308 4.505 20 0 JJADRN C[C@@H]1CN(CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)[C@@H](c2ccccc2)CO1 ZINC001459583762 1067357047 /nfs/dbraw/zinc/35/70/47/1067357047.db2.gz WDSYDBHOQRGHDE-RTGAMMJTSA-N 0 0 454.998 4.599 20 0 JJADRN Cc1cccc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c1C(F)(F)F ZINC001459583487 1067357072 /nfs/dbraw/zinc/35/70/72/1067357072.db2.gz MVLJXLMUGWSAHQ-UHFFFAOYSA-N 0 0 459.281 4.873 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cnc(OCc2ccccc2)cn1 ZINC001459585887 1067357334 /nfs/dbraw/zinc/35/73/34/1067357334.db2.gz XKDQOSBXNFQFNN-GOSISDBHSA-N 0 0 452.352 4.795 20 0 JJADRN C[C@@H]1CN(c2cccc(CN(C)C(=O)C(C)(C)c3ccc4ccccc4c3)c2)S(=O)(=O)C1 ZINC001459587961 1067357737 /nfs/dbraw/zinc/35/77/37/1067357737.db2.gz OJVZLDZNWRJJBN-LJQANCHMSA-N 0 0 450.604 4.562 20 0 JJADRN CCC(=O)Nc1cccc(COC(=O)Cc2ccc(Br)c(Br)c2)c1 ZINC001459588093 1067358230 /nfs/dbraw/zinc/35/82/30/1067358230.db2.gz AVMOQUQONVRDPH-UHFFFAOYSA-N 0 0 455.146 4.846 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cs1 ZINC001459590146 1067358806 /nfs/dbraw/zinc/35/88/06/1067358806.db2.gz FNFMRFJUZUQLQX-FQEVSTJZSA-N 0 0 452.624 4.532 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001459590513 1067358954 /nfs/dbraw/zinc/35/89/54/1067358954.db2.gz RSAYKDUMOIATMR-SZNDQCEHSA-N 0 0 455.313 4.887 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3cccc(OCCc4ccccc4)c3)nn2C)cc1OC ZINC001459591020 1067359067 /nfs/dbraw/zinc/35/90/67/1067359067.db2.gz ZBRRZUBIGRFUKE-UHFFFAOYSA-N 0 0 457.530 4.978 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(Br)cc3Cl)CC2)cs1 ZINC001459591662 1067359117 /nfs/dbraw/zinc/35/91/17/1067359117.db2.gz IXHQZDIOVHZBLW-AWEZNQCLSA-N 0 0 458.853 4.974 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)cn2)C[C@@H](C)O1 ZINC001459596269 1067359919 /nfs/dbraw/zinc/35/99/19/1067359919.db2.gz URWAEFQWKADRBK-HZPDHXFCSA-N 0 0 454.571 4.874 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001459595171 1067360041 /nfs/dbraw/zinc/36/00/41/1067360041.db2.gz HYGZMNQVMIKZRE-LBPRGKRZSA-N 0 0 456.392 4.679 20 0 JJADRN CCc1ccc(N2CCN([C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)CC2)cc1 ZINC001459598088 1067360195 /nfs/dbraw/zinc/36/01/95/1067360195.db2.gz QFXIQDAWYUVOAG-INIZCTEOSA-N 0 0 456.562 4.800 20 0 JJADRN Cc1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1C(=O)N(C)C(C)C ZINC001459599756 1067360395 /nfs/dbraw/zinc/36/03/95/1067360395.db2.gz USYLWHUMHNGDSG-UHFFFAOYSA-N 0 0 455.356 4.676 20 0 JJADRN CCc1ccc(N2CCN([C@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)CC2)cc1 ZINC001459598092 1067360452 /nfs/dbraw/zinc/36/04/52/1067360452.db2.gz QFXIQDAWYUVOAG-MRXNPFEDSA-N 0 0 456.562 4.800 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604896 1067361078 /nfs/dbraw/zinc/36/10/78/1067361078.db2.gz CGVBMXFTDKEFBQ-IBGZPJMESA-N 0 0 456.681 4.800 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(Br)cc3Cl)CC2)cs1 ZINC001459609251 1067362202 /nfs/dbraw/zinc/36/22/02/1067362202.db2.gz LRCQGVBTTDENTJ-AWEZNQCLSA-N 0 0 458.853 4.974 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)OCc1ncc(C(F)(F)F)s1 ZINC001459609941 1067362732 /nfs/dbraw/zinc/36/27/32/1067362732.db2.gz WDBDQYNWHMTFHV-GFCCVEGCSA-N 0 0 452.292 4.863 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)CC1=O ZINC001459613934 1067364624 /nfs/dbraw/zinc/36/46/24/1067364624.db2.gz DPFXDKFNEMTPRQ-OAHLLOKOSA-N 0 0 458.440 4.618 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001546110516 1067365011 /nfs/dbraw/zinc/36/50/11/1067365011.db2.gz CGTRDUNKDFIWLV-KRWDZBQOSA-N 0 0 470.609 4.535 20 0 JJADRN C[C@H](NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC001459615923 1067365310 /nfs/dbraw/zinc/36/53/10/1067365310.db2.gz PBYGSTVYZWFAEI-TWXAQOBRSA-N 0 0 451.611 4.879 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1 ZINC001459617413 1067365543 /nfs/dbraw/zinc/36/55/43/1067365543.db2.gz PTWFAFZXYSPMRJ-PGRDOPGGSA-N 0 0 452.551 4.791 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC001459619729 1067365942 /nfs/dbraw/zinc/36/59/42/1067365942.db2.gz XNUNQTQACGKISQ-UHFFFAOYSA-N 0 0 455.562 4.582 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)c2)cc1 ZINC001459619422 1067366004 /nfs/dbraw/zinc/36/60/04/1067366004.db2.gz QBAWVWXSAJDHEQ-XZOQPEGZSA-N 0 0 454.979 4.759 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001459620531 1067366146 /nfs/dbraw/zinc/36/61/46/1067366146.db2.gz OYXDQWNIANGLPQ-XHDPSFHLSA-N 0 0 455.205 4.946 20 0 JJADRN CCC1(CC)CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001546110576 1067366833 /nfs/dbraw/zinc/36/68/33/1067366833.db2.gz DVLYCWYABNMIEZ-UHFFFAOYSA-N 0 0 467.658 4.709 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccc4ccc(Cl)cc4n3)CC2)c(Cl)c1 ZINC001459628909 1067367150 /nfs/dbraw/zinc/36/71/50/1067367150.db2.gz MCPNQTMGLKFJAY-QGZVFWFLSA-N 0 0 458.389 4.962 20 0 JJADRN CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001459630152 1067367372 /nfs/dbraw/zinc/36/73/72/1067367372.db2.gz WYFJPZXTXPFOOZ-IZZNHLLZSA-N 0 0 452.549 4.767 20 0 JJADRN CCN(C[C@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459626879 1067367939 /nfs/dbraw/zinc/36/79/39/1067367939.db2.gz CDKZWHFZWHTZJN-GOSISDBHSA-N 0 0 454.562 4.842 20 0 JJADRN CCN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001459633828 1067368792 /nfs/dbraw/zinc/36/87/92/1067368792.db2.gz COLICXKTTWTQLQ-LBNVMWSVSA-N 0 0 455.602 4.780 20 0 JJADRN CCN(C[C@@H]1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1)CC(F)(F)F ZINC001459631160 1067368859 /nfs/dbraw/zinc/36/88/59/1067368859.db2.gz KSFIVNGDKSIZQT-SJORKVTESA-N 0 0 454.562 4.652 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001546110644 1067369179 /nfs/dbraw/zinc/36/91/79/1067369179.db2.gz HKSOSBIKNIMONP-XMMPIXPASA-N 0 0 454.018 4.842 20 0 JJADRN CN(Cc1nc(-c2cc(Br)cs2)no1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459635659 1067369207 /nfs/dbraw/zinc/36/92/07/1067369207.db2.gz ORUPICMGIHWIGL-UHFFFAOYSA-N 0 0 459.410 4.543 20 0 JJADRN COc1cc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cnc1Br ZINC001459637277 1067369689 /nfs/dbraw/zinc/36/96/89/1067369689.db2.gz KKZDAGJMVHKTNI-UHFFFAOYSA-N 0 0 454.296 4.739 20 0 JJADRN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)c1C ZINC001459638147 1067369955 /nfs/dbraw/zinc/36/99/55/1067369955.db2.gz OUGCUIIKMFCJMA-UHFFFAOYSA-N 0 0 451.470 4.834 20 0 JJADRN Cc1nc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)sc1Cc1ccc(F)cc1F ZINC001459640504 1067370320 /nfs/dbraw/zinc/37/03/20/1067370320.db2.gz WOIVNTXOUNGRHJ-BBRMVZONSA-N 0 0 451.539 4.905 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)[C@H]3C)sc3c2CCCC3)cc1 ZINC001459643798 1067370574 /nfs/dbraw/zinc/37/05/74/1067370574.db2.gz UNNPWGOLZHSGHK-DLBZAZTESA-N 0 0 455.624 4.947 20 0 JJADRN O=C(CCc1cncc2ccccc21)NCc1ccc(Cl)cc1I ZINC001459648457 1067371478 /nfs/dbraw/zinc/37/14/78/1067371478.db2.gz YUAJEWMUYDXLOS-UHFFFAOYSA-N 0 0 450.707 4.742 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001459650828 1067371886 /nfs/dbraw/zinc/37/18/86/1067371886.db2.gz GTYQKULNPFDQFZ-MHECFPHRSA-N 0 0 455.551 4.617 20 0 JJADRN CN(C[C@@H]1CCCN1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652606 1067372227 /nfs/dbraw/zinc/37/22/27/1067372227.db2.gz MSPBPRVVAWIVRB-KRWDZBQOSA-N 0 0 450.377 4.935 20 0 JJADRN CN(C[C@H]1CCCN1Cc1ncc(-c2ccc(Br)cc2)o1)C(=O)OC(C)(C)C ZINC001459652610 1067372345 /nfs/dbraw/zinc/37/23/45/1067372345.db2.gz MSPBPRVVAWIVRB-QGZVFWFLSA-N 0 0 450.377 4.935 20 0 JJADRN COc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC001459654380 1067372557 /nfs/dbraw/zinc/37/25/57/1067372557.db2.gz VSDCBRXUFPODCS-INIZCTEOSA-N 0 0 454.523 4.535 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001459657528 1067372855 /nfs/dbraw/zinc/37/28/55/1067372855.db2.gz DVXMSGCJPAGPNX-UHFFFAOYSA-N 0 0 451.335 4.786 20 0 JJADRN Cc1ccc([C@H](NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC001459655815 1067372904 /nfs/dbraw/zinc/37/29/04/1067372904.db2.gz MAVCSBSXOVWBKA-NDGDYOIOSA-N 0 0 459.917 4.885 20 0 JJADRN CSc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)ccc1Br ZINC001459657178 1067373303 /nfs/dbraw/zinc/37/33/03/1067373303.db2.gz BFJYGESKYSPHGU-INIZCTEOSA-N 0 0 457.434 4.984 20 0 JJADRN O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001459659014 1067373846 /nfs/dbraw/zinc/37/38/46/1067373846.db2.gz LJTLVJYZOLZJBE-UHFFFAOYSA-N 0 0 450.253 4.763 20 0 JJADRN CC(C)CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1Br ZINC001459660759 1067374101 /nfs/dbraw/zinc/37/41/01/1067374101.db2.gz YEDOPFGDTAMCFD-UHFFFAOYSA-N 0 0 458.400 4.671 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001459663283 1067375335 /nfs/dbraw/zinc/37/53/35/1067375335.db2.gz LPBJUAYZEXDUTP-FQRUVTKNSA-N 0 0 477.605 4.793 20 0 JJADRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)nc1 ZINC001459663272 1067375444 /nfs/dbraw/zinc/37/54/44/1067375444.db2.gz LKSVKVZRJVATNK-UHFFFAOYSA-N 0 0 459.937 4.660 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC001459664290 1067375683 /nfs/dbraw/zinc/37/56/83/1067375683.db2.gz PPIYBOYQZJPEGP-VWLOTQADSA-N 0 0 456.590 4.655 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC001459664386 1067375827 /nfs/dbraw/zinc/37/58/27/1067375827.db2.gz SOWNXTQXEARXDV-OALUTQOASA-N 0 0 451.405 4.679 20 0 JJADRN CN(CCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001459665364 1067376295 /nfs/dbraw/zinc/37/62/95/1067376295.db2.gz MYDYESCIHBTUKJ-OAQYLSRUSA-N 0 0 452.979 4.634 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001459664654 1067376370 /nfs/dbraw/zinc/37/63/70/1067376370.db2.gz AWTRDRYPKURBLS-LEWJYISDSA-N 0 0 456.608 4.810 20 0 JJADRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C1)c1ccccc1 ZINC001459667717 1067376993 /nfs/dbraw/zinc/37/69/93/1067376993.db2.gz AMZRDBCSRTXLJL-MRXNPFEDSA-N 0 0 457.958 4.812 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cc2cc(Br)cnc2n1C ZINC001459667614 1067377111 /nfs/dbraw/zinc/37/71/11/1067377111.db2.gz ZWJRKJCOQHVKMV-UHFFFAOYSA-N 0 0 457.111 4.682 20 0 JJADRN CC[C@@](C)(NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1nccs1 ZINC001459668881 1067378118 /nfs/dbraw/zinc/37/81/18/1067378118.db2.gz DXCACNDTBOZYPR-AREMUKBSSA-N 0 0 459.619 4.586 20 0 JJADRN CS(=O)(=O)c1ccc(-c2nc(CN3CCCCC[C@H]3C[C@H](O)c3ccccc3)co2)cc1 ZINC001459669556 1067378549 /nfs/dbraw/zinc/37/85/49/1067378549.db2.gz IXQPMQDDFUUMRH-UPVQGACJSA-N 0 0 454.592 4.613 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ncc(C)c(-c3ccccc3)n2)[C@H]1c1ccc(OC)cc1 ZINC001459671635 1067378794 /nfs/dbraw/zinc/37/87/94/1067378794.db2.gz CLVVRLALEYJNRQ-WIOPSUGQSA-N 0 0 458.562 4.789 20 0 JJADRN COc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001459671957 1067379298 /nfs/dbraw/zinc/37/92/98/1067379298.db2.gz FJOSAUKBADPMGE-NRFANRHFSA-N 0 0 450.988 4.511 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001459675290 1067380037 /nfs/dbraw/zinc/38/00/37/1067380037.db2.gz FVVULGHTBJUXHA-SANMLTNESA-N 0 0 455.602 4.738 20 0 JJADRN O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459678100 1067381612 /nfs/dbraw/zinc/38/16/12/1067381612.db2.gz LZTGCXZBOFOYBL-QGZVFWFLSA-N 0 0 456.167 4.610 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)C2)n(C)n1 ZINC001459680047 1067381735 /nfs/dbraw/zinc/38/17/35/1067381735.db2.gz WNYFFCPLJBDOOX-WZONZLPQSA-N 0 0 456.562 4.625 20 0 JJADRN Cc1nn(CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1-c1ccccc1 ZINC001459680213 1067381840 /nfs/dbraw/zinc/38/18/40/1067381840.db2.gz GSUGUMDPVCILTE-UHFFFAOYSA-N 0 0 459.468 4.579 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)c2ccccc21 ZINC001459680132 1067381876 /nfs/dbraw/zinc/38/18/76/1067381876.db2.gz FXHXNLLZUZOSHI-OAQYLSRUSA-N 0 0 458.599 4.983 20 0 JJADRN O=C(CSc1ccc2c(c1)CCC2)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001459682469 1067382160 /nfs/dbraw/zinc/38/21/60/1067382160.db2.gz PRQXMOTYIXAOJG-UHFFFAOYSA-N 0 0 451.510 4.988 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2ccc(F)c(-c3nnc[nH]3)c2)cc1 ZINC001459681426 1067382255 /nfs/dbraw/zinc/38/22/55/1067382255.db2.gz UKDZXDWPUMESKR-UHFFFAOYSA-N 0 0 453.524 4.655 20 0 JJADRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001459686115 1067383473 /nfs/dbraw/zinc/38/34/73/1067383473.db2.gz CDUBKDSEBXRHDV-KRWDZBQOSA-N 0 0 458.383 4.719 20 0 JJADRN CC1CCC(N(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C2CC2)CC1 ZINC001459687197 1067383693 /nfs/dbraw/zinc/38/36/93/1067383693.db2.gz GSAQYTGSNWEQEY-ZJKHUDDUSA-N 0 0 452.426 4.966 20 0 JJADRN O=C(NC[C@@H]1CCCCN1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689832 1067384496 /nfs/dbraw/zinc/38/44/96/1067384496.db2.gz CZOVHJGJOIADIT-RBSBEOHCSA-N 0 0 454.423 4.777 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001459690251 1067384885 /nfs/dbraw/zinc/38/48/85/1067384885.db2.gz ONJPUEQXKJRYFM-INIZCTEOSA-N 0 0 456.373 4.932 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)NC2(c3cccc(OC)c3F)CCOCC2)c1 ZINC001459691429 1067384921 /nfs/dbraw/zinc/38/49/21/1067384921.db2.gz HJNLOWKVWDITLT-UHFFFAOYSA-N 0 0 456.558 4.532 20 0 JJADRN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001459690254 1067384965 /nfs/dbraw/zinc/38/49/65/1067384965.db2.gz ONJPUEQXKJRYFM-MRXNPFEDSA-N 0 0 456.373 4.932 20 0 JJADRN Cc1ccccc1-c1cc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c2cnn(C(C)C)c2n1 ZINC001459700926 1067388067 /nfs/dbraw/zinc/38/80/67/1067388067.db2.gz YUNGAEOGJCSFMB-FQEVSTJZSA-N 0 0 456.472 4.755 20 0 JJADRN CCOC(=O)C1(NCc2csc(-c3ccc(Br)cc3)n2)Cc2ccccc2C1 ZINC001459700888 1067388101 /nfs/dbraw/zinc/38/81/01/1067388101.db2.gz KYWFJYAZHRHWJS-UHFFFAOYSA-N 0 0 457.393 4.763 20 0 JJADRN COc1ccc2c(c1)c(C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c(C)n2Cc1ccccc1 ZINC001459700556 1067388142 /nfs/dbraw/zinc/38/81/42/1067388142.db2.gz WZVOEQGGPMUAHR-JOCHJYFZSA-N 0 0 456.468 4.774 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)cc2)c1C ZINC001459700534 1067388223 /nfs/dbraw/zinc/38/82/23/1067388223.db2.gz WYNDTKPSYJYNJY-YADARESESA-N 0 0 459.590 4.921 20 0 JJADRN CCCc1ccc(-c2csc(NC(=O)CN[C@H](c3ccccc3)[C@H](C)C(=O)OC)n2)cc1 ZINC001459703530 1067388522 /nfs/dbraw/zinc/38/85/22/1067388522.db2.gz FDNZTDPRZFCARR-SBUREZEXSA-N 0 0 451.592 4.841 20 0 JJADRN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC001459705547 1067388990 /nfs/dbraw/zinc/38/89/90/1067388990.db2.gz RLFCYRAEGPHOKN-OAQYLSRUSA-N 0 0 453.366 4.801 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN(CCO)c1ccccc1 ZINC001459705735 1067389325 /nfs/dbraw/zinc/38/93/25/1067389325.db2.gz DLYJKIBJUYLVMV-UHFFFAOYSA-N 0 0 458.967 4.683 20 0 JJADRN C[C@@](NCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC001459705690 1067389411 /nfs/dbraw/zinc/38/94/11/1067389411.db2.gz HIKYRISZZBZEJF-QHCPKHFHSA-N 0 0 458.345 4.715 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001459707383 1067389699 /nfs/dbraw/zinc/38/96/99/1067389699.db2.gz PSVZMEYLXZEMPK-UHFFFAOYSA-N 0 0 450.612 4.578 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710219 1067391098 /nfs/dbraw/zinc/39/10/98/1067391098.db2.gz OJNNQGHLGRVPBG-XZOQPEGZSA-N 0 0 454.364 4.996 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)c1cnn(CCC(C)C)c1C)c1ccc(Br)cc1C ZINC001459710832 1067391621 /nfs/dbraw/zinc/39/16/21/1067391621.db2.gz HAIZYPHYDOGKSY-MRXNPFEDSA-N 0 0 450.377 4.517 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC001459711301 1067391634 /nfs/dbraw/zinc/39/16/34/1067391634.db2.gz VJUGQZXONDBPJF-UHFFFAOYSA-N 0 0 456.340 4.810 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001459716249 1067393795 /nfs/dbraw/zinc/39/37/95/1067393795.db2.gz IHCSMPJLUMMBHE-HNNXBMFYSA-N 0 0 455.555 4.970 20 0 JJADRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001459717101 1067394097 /nfs/dbraw/zinc/39/40/97/1067394097.db2.gz BVBZVLGFQDDCNC-UHFFFAOYSA-N 0 0 458.266 4.566 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC001459716593 1067394291 /nfs/dbraw/zinc/39/42/91/1067394291.db2.gz CSUXSIVFPWTHLU-LPHOPBHVSA-N 0 0 459.612 4.722 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001459720963 1067395484 /nfs/dbraw/zinc/39/54/84/1067395484.db2.gz BMLDVXJOUQKBMY-IBGZPJMESA-N 0 0 455.755 4.668 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)CCc2ccc(I)cc2)cnn1C(C)(C)C ZINC001459728205 1067397751 /nfs/dbraw/zinc/39/77/51/1067397751.db2.gz WHDWQHCUOIKVON-AWEZNQCLSA-N 0 0 453.368 4.556 20 0 JJADRN COc1ccc(C[C@H](C)C(=O)N[C@H](C)CCc2ccc(I)cc2)cc1 ZINC001459728007 1067397784 /nfs/dbraw/zinc/39/77/84/1067397784.db2.gz UODGGRZLOAVFLB-JKSUJKDBSA-N 0 0 451.348 4.616 20 0 JJADRN COc1ccc(C[C@@H](C)C(=O)N[C@@H](C)CCc2ccc(I)cc2)cc1 ZINC001459728001 1067397796 /nfs/dbraw/zinc/39/77/96/1067397796.db2.gz UODGGRZLOAVFLB-CVEARBPZSA-N 0 0 451.348 4.616 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2cccc3c2OCC[C@@H]3OC)cc1OC ZINC001459730421 1067398354 /nfs/dbraw/zinc/39/83/54/1067398354.db2.gz OXUSRBDQITUZCB-KRWDZBQOSA-N 0 0 450.329 4.969 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 ZINC001459731284 1067398796 /nfs/dbraw/zinc/39/87/96/1067398796.db2.gz RGVLSPJGXCTDCK-KAMYIIQDSA-N 0 0 452.551 4.509 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)ccc1Cl)C(C)C ZINC001459734629 1067399413 /nfs/dbraw/zinc/39/94/13/1067399413.db2.gz BPBJTKWXGADHTK-UHFFFAOYSA-N 0 0 457.379 4.520 20 0 JJADRN O=C(CSc1ccccc1Br)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001459738579 1067400030 /nfs/dbraw/zinc/40/00/30/1067400030.db2.gz JAMOOAXUXFJDNM-UHFFFAOYSA-N 0 0 455.805 4.907 20 0 JJADRN COCCN(C(=O)c1csc(-c2cc(Br)ccc2OC)n1)[C@H]1CC[C@H](C)C1 ZINC001459739303 1067400421 /nfs/dbraw/zinc/40/04/21/1067400421.db2.gz HSFRHYBMLNWSTQ-ZFWWWQNUSA-N 0 0 453.402 4.858 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)NCCCc1cccc(Cl)c1 ZINC001459740190 1067400935 /nfs/dbraw/zinc/40/09/35/1067400935.db2.gz UBULMDXWKHDQIU-UHFFFAOYSA-N 0 0 457.739 4.853 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CN2c3ccccc3CC[C@H]2CC)c(C(=O)OCC)c1C ZINC001459742407 1067401970 /nfs/dbraw/zinc/40/19/70/1067401970.db2.gz AXYWBWDIPALLFE-QGZVFWFLSA-N 0 0 458.580 4.580 20 0 JJADRN COc1ccc(-n2nnc(C(=O)Oc3ccc(NC(=O)OC(C)(C)C)cc3Cl)c2C)cc1 ZINC001459741956 1067402065 /nfs/dbraw/zinc/40/20/65/1067402065.db2.gz PEKXADUWGNUBRW-UHFFFAOYSA-N 0 0 458.902 4.804 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCc4ccc(Br)cc43)n2)cc1 ZINC001459743051 1067402397 /nfs/dbraw/zinc/40/23/97/1067402397.db2.gz VELLDQYSPQFIPO-CYBMUJFWSA-N 0 0 458.381 4.971 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)C1CC1 ZINC001459742805 1067402408 /nfs/dbraw/zinc/40/24/08/1067402408.db2.gz PZXMJWGPBJTEIR-RXYZOABWSA-N 0 0 454.954 4.844 20 0 JJADRN CC(C)Cc1ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)cn1 ZINC001459743067 1067402446 /nfs/dbraw/zinc/40/24/46/1067402446.db2.gz ARURLIZGMSBCMF-GOSISDBHSA-N 0 0 452.477 4.898 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC)C1CC1 ZINC001459744024 1067403065 /nfs/dbraw/zinc/40/30/65/1067403065.db2.gz SECKNSDANXHVGE-LSWJPFSZSA-N 0 0 457.954 4.756 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001459744646 1067403393 /nfs/dbraw/zinc/40/33/93/1067403393.db2.gz FNBBDNUXOGPGQS-UHFFFAOYSA-N 0 0 459.011 4.834 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001459745125 1067403467 /nfs/dbraw/zinc/40/34/67/1067403467.db2.gz ZXQCHTMRYASHQZ-KRWDZBQOSA-N 0 0 456.530 4.605 20 0 JJADRN C[C@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c2cc(Cl)ccc2S1 ZINC001459745843 1067403991 /nfs/dbraw/zinc/40/39/91/1067403991.db2.gz IPCKTOPPBKKGQO-KRWDZBQOSA-N 0 0 458.027 4.583 20 0 JJADRN COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1nc(Cc3ccc(Cl)cc3)no1)CC2 ZINC001459748257 1067404470 /nfs/dbraw/zinc/40/44/70/1067404470.db2.gz PTKDSQSZXXSYAV-OAHLLOKOSA-N 0 0 457.958 4.501 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC(C)(C)c2c1cccc2Cl ZINC001459748157 1067404538 /nfs/dbraw/zinc/40/45/38/1067404538.db2.gz PIASQMCSUXPJGC-INIZCTEOSA-N 0 0 451.954 4.988 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)N1CC=C(c2cccc(Cl)c2)CC1)C(=O)N1CCCC1 ZINC001459749228 1067405408 /nfs/dbraw/zinc/40/54/08/1067405408.db2.gz XNPJBMZYCOFDBF-QGZVFWFLSA-N 0 0 456.011 4.768 20 0 JJADRN O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001459751963 1067406233 /nfs/dbraw/zinc/40/62/33/1067406233.db2.gz ACJYCWQKNLSKGI-KRWDZBQOSA-N 0 0 451.350 4.537 20 0 JJADRN O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001459751964 1067406322 /nfs/dbraw/zinc/40/63/22/1067406322.db2.gz ACJYCWQKNLSKGI-QGZVFWFLSA-N 0 0 451.350 4.537 20 0 JJADRN O=C(Oc1ccc2cccnc2c1)c1cc(I)ccc1Br ZINC001459751055 1067406339 /nfs/dbraw/zinc/40/63/39/1067406339.db2.gz CTFUGRMWHIINID-UHFFFAOYSA-N 0 0 454.061 4.821 20 0 JJADRN CCCO[C@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccc(F)cc1C ZINC001459752611 1067406934 /nfs/dbraw/zinc/40/69/34/1067406934.db2.gz FHTFXPOMDBALMZ-URXFXBBRSA-N 0 0 456.558 4.767 20 0 JJADRN Cc1cc(Br)cc2c1N(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CCC2 ZINC001459752882 1067407280 /nfs/dbraw/zinc/40/72/80/1067407280.db2.gz JMZGYGCRZXYWBD-UHFFFAOYSA-N 0 0 459.281 4.984 20 0 JJADRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001459753969 1067407409 /nfs/dbraw/zinc/40/74/09/1067407409.db2.gz HMBNYZCVCRGHND-CVDCTZTESA-N 0 0 456.428 4.619 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)s1 ZINC001459758729 1067410317 /nfs/dbraw/zinc/41/03/17/1067410317.db2.gz CVBUYFPICZOCGN-LJQANCHMSA-N 0 0 454.527 4.782 20 0 JJADRN CCCc1c(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)nnn1-c1cccc(Cl)c1 ZINC001459759254 1067410404 /nfs/dbraw/zinc/41/04/04/1067410404.db2.gz UDKZKHXHWRFZNN-UHFFFAOYSA-N 0 0 457.868 4.694 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)O[C@H]([C@H]1CCCOC1)C(F)(F)F ZINC001459758907 1067410413 /nfs/dbraw/zinc/41/04/13/1067410413.db2.gz NJMRNQNFBMSRAA-WMZHIEFXSA-N 0 0 452.469 4.978 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)c(=O)oc2c1 ZINC001459759625 1067410791 /nfs/dbraw/zinc/41/07/91/1067410791.db2.gz XFEVZXALJTURLW-UHFFFAOYSA-N 0 0 452.461 4.570 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccn(C(C)(C)C)c3=O)C2)n1 ZINC001459760068 1067411388 /nfs/dbraw/zinc/41/13/88/1067411388.db2.gz UFMPIJKCOAVWQD-QGZVFWFLSA-N 0 0 451.592 4.755 20 0 JJADRN Cc1ccc(F)cc1-c1nnc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)s1 ZINC001459760372 1067411422 /nfs/dbraw/zinc/41/14/22/1067411422.db2.gz HXKSCNNFLFZKNW-UHFFFAOYSA-N 0 0 459.553 4.604 20 0 JJADRN CCCCCCN(C(=O)CN1CCO[C@H]([C@H]2CCCO2)C1)c1nc(-c2ccccc2)cs1 ZINC001459762268 1067412494 /nfs/dbraw/zinc/41/24/94/1067412494.db2.gz JTYIFPSGVXHTDN-PKTZIBPZSA-N 0 0 457.640 4.603 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C ZINC001459763671 1067412897 /nfs/dbraw/zinc/41/28/97/1067412897.db2.gz IOXSZYKYVGJUIK-CQSZACIVSA-N 0 0 454.493 4.575 20 0 JJADRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc(C)c(Br)c(Cl)c2)sc1C ZINC001459766106 1067412902 /nfs/dbraw/zinc/41/29/02/1067412902.db2.gz PYJFPRNFZFZVOM-CYBMUJFWSA-N 0 0 457.777 4.940 20 0 JJADRN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cc(Br)ccc1Br ZINC001459763569 1067412926 /nfs/dbraw/zinc/41/29/26/1067412926.db2.gz IPDXZHKGABWRKT-GFCCVEGCSA-N 0 0 456.153 4.702 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)c1 ZINC001459765706 1067413424 /nfs/dbraw/zinc/41/34/24/1067413424.db2.gz QOZICLSOSINKOC-UHFFFAOYSA-N 0 0 455.551 4.934 20 0 JJADRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC001459766938 1067414455 /nfs/dbraw/zinc/41/44/55/1067414455.db2.gz MIEUFCXDHLKHCX-VABKMULXSA-N 0 0 456.652 4.534 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(-c2cccs2)nc2c1cnn2CC ZINC001459767009 1067414519 /nfs/dbraw/zinc/41/45/19/1067414519.db2.gz YMMGZARNOHSHGY-OAHLLOKOSA-N 0 0 457.600 4.555 20 0 JJADRN CN(CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001459769960 1067415071 /nfs/dbraw/zinc/41/50/71/1067415071.db2.gz PXLHIHMBSUIQDA-HSZRJFAPSA-N 0 0 451.954 4.759 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)CC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)n1 ZINC001459772295 1067416142 /nfs/dbraw/zinc/41/61/42/1067416142.db2.gz ZHVXISRLNQAWQK-MRXNPFEDSA-N 0 0 459.641 4.618 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@H]2CSc3ccc(Br)cc32)c1Br ZINC001459774960 1067416681 /nfs/dbraw/zinc/41/66/81/1067416681.db2.gz HCQNAWJWLRWEIW-LBPRGKRZSA-N 0 0 459.207 4.740 20 0 JJADRN O=C(OCc1ccc(OC(F)(F)F)cc1Cl)c1cccc(CN2C(=O)CSC2=O)c1 ZINC001459778176 1067417079 /nfs/dbraw/zinc/41/70/79/1067417079.db2.gz PXHDXXURPFFHGW-UHFFFAOYSA-N 0 0 459.829 4.791 20 0 JJADRN O=C(CCN1CCN(c2ccc(F)cc2Cl)CC1)Nc1ccc(Br)cc1F ZINC001459779674 1067417713 /nfs/dbraw/zinc/41/77/13/1067417713.db2.gz PILUTGUAHHCHLO-UHFFFAOYSA-N 0 0 458.734 4.532 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1ccc(OCc2ccccc2)nc1 ZINC001459781704 1067418715 /nfs/dbraw/zinc/41/87/15/1067418715.db2.gz SKTXPBTWPRFITE-QFIPXVFZSA-N 0 0 455.352 4.769 20 0 JJADRN Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001459783332 1067419973 /nfs/dbraw/zinc/41/99/73/1067419973.db2.gz NLXNOPAFOYYKFW-UHFFFAOYSA-N 0 0 457.250 4.579 20 0 JJADRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cnn(-c2ccc(F)cc2)c1 ZINC001459783651 1067420545 /nfs/dbraw/zinc/42/05/45/1067420545.db2.gz RXBPFXVLMATDAI-UHFFFAOYSA-N 0 0 455.243 4.575 20 0 JJADRN CCc1c(NC(=O)C(F)(F)c2ncccc2Br)cnn1-c1ccccc1Cl ZINC001459784525 1067420964 /nfs/dbraw/zinc/42/09/64/1067420964.db2.gz YLZPCKMPTZMRBH-UHFFFAOYSA-N 0 0 455.690 4.976 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@@H](C)C2CCCCC2)c1 ZINC001459784663 1067420975 /nfs/dbraw/zinc/42/09/75/1067420975.db2.gz VGGWROPMELKCIZ-IBGZPJMESA-N 0 0 458.624 4.870 20 0 JJADRN CCCc1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)no1 ZINC001459785436 1067421577 /nfs/dbraw/zinc/42/15/77/1067421577.db2.gz YLEOJJVZNLBPKI-GOSISDBHSA-N 0 0 453.402 4.806 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCc3c(cccc3C(C)C)C2)C1 ZINC001459791410 1067424488 /nfs/dbraw/zinc/42/44/88/1067424488.db2.gz KXBSTIZONYMSCU-WXVAWEFUSA-N 0 0 450.579 4.511 20 0 JJADRN CN(Cc1ccc(F)cc1Br)C(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459792540 1067425664 /nfs/dbraw/zinc/42/56/64/1067425664.db2.gz UNCBHGALRCVNAL-IERDGZPVSA-N 0 0 455.368 4.584 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc21 ZINC001459794035 1067426033 /nfs/dbraw/zinc/42/60/33/1067426033.db2.gz AWPDCMGDUYRWFT-ROUUACIJSA-N 0 0 450.023 4.759 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001459794486 1067426686 /nfs/dbraw/zinc/42/66/86/1067426686.db2.gz BKAZIGUPETUBSS-FQEVSTJZSA-N 0 0 450.391 4.635 20 0 JJADRN COc1cccc(OCCN2CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 ZINC001459798380 1067428684 /nfs/dbraw/zinc/42/86/84/1067428684.db2.gz QZLHHWSZHSETPK-UHFFFAOYSA-N 0 0 450.554 4.610 20 0 JJADRN CCc1ccc(CNC(=O)CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC001459800778 1067429613 /nfs/dbraw/zinc/42/96/13/1067429613.db2.gz QQBKUVXADJGASQ-IBGZPJMESA-N 0 0 454.423 4.727 20 0 JJADRN CC(C)(NC(=O)c1cc(Br)c2nccnc2c1)c1ccc(OC(F)(F)F)cc1 ZINC001459802283 1067430266 /nfs/dbraw/zinc/43/02/66/1067430266.db2.gz VWDYBOBDOWXMLT-UHFFFAOYSA-N 0 0 454.246 4.956 20 0 JJADRN CCOC(=O)CN(CC(=O)N(C(C)C)C1CCCC1)[C@H](C)c1cccc(Br)c1 ZINC001459802094 1067430272 /nfs/dbraw/zinc/43/02/72/1067430272.db2.gz MVQCKLBXCWALCR-QGZVFWFLSA-N 0 0 453.421 4.555 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)cc1 ZINC001459803187 1067430693 /nfs/dbraw/zinc/43/06/93/1067430693.db2.gz HBEODWVUIYSJCP-UHFFFAOYSA-N 0 0 455.312 4.948 20 0 JJADRN Cc1ccc(NC(=O)c2ccnn2CC(F)(F)F)cc1Oc1ncccc1Br ZINC001459803925 1067430738 /nfs/dbraw/zinc/43/07/38/1067430738.db2.gz KCOAEWMLQQHZKL-UHFFFAOYSA-N 0 0 455.234 4.956 20 0 JJADRN CC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)cc1 ZINC001459805330 1067431271 /nfs/dbraw/zinc/43/12/71/1067431271.db2.gz NEXQJOMWMZDOHV-UHFFFAOYSA-N 0 0 454.324 4.833 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(C)c2nc3c(cccc3Cl)s2)CC1 ZINC001459808978 1067432318 /nfs/dbraw/zinc/43/23/18/1067432318.db2.gz FNBLMYIQGHSZLY-UHFFFAOYSA-N 0 0 456.999 4.877 20 0 JJADRN COc1ccc([C@@H](NCC(=O)NCc2ccccc2COc2ccccc2)C(F)(F)F)cc1 ZINC001459808875 1067432336 /nfs/dbraw/zinc/43/23/36/1067432336.db2.gz RNUBQYCDFBCUIN-XMMPIXPASA-N 0 0 458.480 4.784 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cs1 ZINC001459808423 1067432348 /nfs/dbraw/zinc/43/23/48/1067432348.db2.gz GVIVVSNQLQPLLM-UHFFFAOYSA-N 0 0 459.568 4.685 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4ccc(Br)s4)nn3)c2nc1C ZINC001459810306 1067432672 /nfs/dbraw/zinc/43/26/72/1067432672.db2.gz HVOLUOYZNNQBRO-UHFFFAOYSA-N 0 0 458.316 4.919 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(-c4ccc(Br)s4)nn3)ccn2)C1 ZINC001459810452 1067432682 /nfs/dbraw/zinc/43/26/82/1067432682.db2.gz JKYJUKAHAQSXCN-ZDUSSCGKSA-N 0 0 458.385 4.851 20 0 JJADRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)c1nc2c(cccc2Cl)s1 ZINC001459810389 1067432716 /nfs/dbraw/zinc/43/27/16/1067432716.db2.gz OUNPRELWOHTFJM-UHFFFAOYSA-N 0 0 452.001 4.612 20 0 JJADRN COc1cc(NC(=O)c2cnc(Br)c(Br)c2)ccc1C(F)(F)F ZINC001459810962 1067433332 /nfs/dbraw/zinc/43/33/32/1067433332.db2.gz TZUNIUJVRAOFOU-UHFFFAOYSA-N 0 0 454.040 4.886 20 0 JJADRN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001459811794 1067433937 /nfs/dbraw/zinc/43/39/37/1067433937.db2.gz XWTNVZNVCRNYTO-UHFFFAOYSA-N 0 0 458.699 4.556 20 0 JJADRN C[C@H](NC(=O)CCC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1ccccc1 ZINC001459812685 1067433993 /nfs/dbraw/zinc/43/39/93/1067433993.db2.gz QMSVFXQWHFTTKS-ZDUSSCGKSA-N 0 0 459.369 4.564 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001459812903 1067434455 /nfs/dbraw/zinc/43/44/55/1067434455.db2.gz SPUGWIDDVJOQMQ-BXKDBHETSA-N 0 0 450.280 4.796 20 0 JJADRN Cc1ccc2c(c1)CCN2C(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC001459814171 1067434999 /nfs/dbraw/zinc/43/49/99/1067434999.db2.gz MGQVVFJXWPRHMV-UHFFFAOYSA-N 0 0 451.246 4.560 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N(C)c3ncccc3C)nnc2-c2ccc(C)cc2)cc1 ZINC001459813804 1067435011 /nfs/dbraw/zinc/43/50/11/1067435011.db2.gz IMODQQZJZBPORX-UHFFFAOYSA-N 0 0 459.575 4.710 20 0 JJADRN CCc1ccccc1Nc1nc(N)nc(CN2CCCCc3c(Br)cccc32)n1 ZINC001459815553 1067435428 /nfs/dbraw/zinc/43/54/28/1067435428.db2.gz UNJYCRLROVZFNY-UHFFFAOYSA-N 0 0 453.388 4.865 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2CCCC(=O)N(C)C)C1 ZINC001546112061 1067435889 /nfs/dbraw/zinc/43/58/89/1067435889.db2.gz BHGWPFLHXMPHTJ-UHFFFAOYSA-N 0 0 492.462 4.505 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)cc1 ZINC001459817721 1067437228 /nfs/dbraw/zinc/43/72/28/1067437228.db2.gz IBWAQLXTVJQNTM-QGZVFWFLSA-N 0 0 452.343 4.575 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001459820004 1067437712 /nfs/dbraw/zinc/43/77/12/1067437712.db2.gz NCCWRWXFGIAGGF-QHCPKHFHSA-N 0 0 454.954 4.989 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC001459820614 1067438353 /nfs/dbraw/zinc/43/83/53/1067438353.db2.gz SVOFXPBJHVGOEW-RXFWQSSRSA-N 0 0 457.574 4.647 20 0 JJADRN C[C@@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001459823951 1067440207 /nfs/dbraw/zinc/44/02/07/1067440207.db2.gz FPGYNQNIZZFWFU-ZIAGYGMSSA-N 0 0 451.901 4.746 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)CN(C)Cc3cccc(N(C)C)c3)n(-c3ccccc3)n2)cc1 ZINC001459826265 1067441315 /nfs/dbraw/zinc/44/13/15/1067441315.db2.gz ATADFYGWRYGJQX-UHFFFAOYSA-N 0 0 453.590 4.984 20 0 JJADRN O=C(COc1ccccc1Br)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC001459827045 1067441692 /nfs/dbraw/zinc/44/16/92/1067441692.db2.gz DIXRLILJKZCBNN-CQSZACIVSA-N 0 0 458.183 4.920 20 0 JJADRN O=C(COc1ccc2cc(Br)ccc2c1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001459827529 1067441747 /nfs/dbraw/zinc/44/17/47/1067441747.db2.gz RDHGALYDYVMCKT-LJQANCHMSA-N 0 0 459.315 4.585 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC001459827840 1067441759 /nfs/dbraw/zinc/44/17/59/1067441759.db2.gz JXJDRADMZQZKLB-QGZVFWFLSA-N 0 0 459.377 4.895 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC001459828554 1067442189 /nfs/dbraw/zinc/44/21/89/1067442189.db2.gz DCSWSCYUCUTFKZ-UHFFFAOYSA-N 0 0 457.360 4.586 20 0 JJADRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001459829741 1067443284 /nfs/dbraw/zinc/44/32/84/1067443284.db2.gz XSCHJFBBDFVUNZ-NRFANRHFSA-N 0 0 451.567 4.923 20 0 JJADRN Cc1cc(Br)cc2cc([C@H](C(C)C)N(C)Cc3nc4c(cnn4C)c(=O)[nH]3)oc21 ZINC001459831182 1067443715 /nfs/dbraw/zinc/44/37/15/1067443715.db2.gz BAEHHOXCJMNHIT-SFHVURJKSA-N 0 0 458.360 4.715 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC001459830384 1067443738 /nfs/dbraw/zinc/44/37/38/1067443738.db2.gz WMUZBYVUSQLBDV-UHFFFAOYSA-N 0 0 451.878 4.755 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1)c1cccc(Br)c1 ZINC001459831649 1067444240 /nfs/dbraw/zinc/44/42/40/1067444240.db2.gz FUFYPKQPXNQWHL-UHFFFAOYSA-N 0 0 451.320 4.878 20 0 JJADRN COC[C@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC001459833697 1067445322 /nfs/dbraw/zinc/44/53/22/1067445322.db2.gz CULTXEGDWVTDIA-KRWDZBQOSA-N 0 0 453.461 4.884 20 0 JJADRN O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001459835044 1067445879 /nfs/dbraw/zinc/44/58/79/1067445879.db2.gz UYEQJLMOLVNEDR-UHFFFAOYSA-N 0 0 452.082 4.793 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN[C@H](c3ccc(F)cc3F)C3CC3)n2)c(OC)c1 ZINC001459837263 1067446519 /nfs/dbraw/zinc/44/65/19/1067446519.db2.gz OHAOBXPCRPNXCN-QFIPXVFZSA-N 0 0 459.518 4.785 20 0 JJADRN CCn1c(CNC(=O)c2cccc(OCC(F)(F)F)c2)nc2cc(Br)ccc21 ZINC001459842021 1067449017 /nfs/dbraw/zinc/44/90/17/1067449017.db2.gz QPWRVBFMYMMQDI-UHFFFAOYSA-N 0 0 456.262 4.690 20 0 JJADRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN(C)C[C@H]3CCCC[C@@H]3O)nc2c1C ZINC001459842648 1067449566 /nfs/dbraw/zinc/44/95/66/1067449566.db2.gz UMZCAYZUARZHNA-YADHBBJMSA-N 0 0 451.636 4.929 20 0 JJADRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cnc(Br)c(Br)c1 ZINC001459843954 1067450599 /nfs/dbraw/zinc/45/05/99/1067450599.db2.gz HCKPDKPONNFBLK-LLVKDONJSA-N 0 0 456.031 4.779 20 0 JJADRN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001459847385 1067452499 /nfs/dbraw/zinc/45/24/99/1067452499.db2.gz BNJVCOHLZOUWMV-MJBXVCDLSA-N 0 0 457.785 4.984 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC=C(c4ccc(Cl)nc4)CC3)n2)cc1 ZINC001459847868 1067453145 /nfs/dbraw/zinc/45/31/45/1067453145.db2.gz DKPJWUOTSLZLAO-OAHLLOKOSA-N 0 0 454.983 4.983 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001459849819 1067455136 /nfs/dbraw/zinc/45/51/36/1067455136.db2.gz LDNLKWWBJIIKML-HXUWFJFHSA-N 0 0 451.430 4.930 20 0 JJADRN O[C@@H](CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851033 1067456246 /nfs/dbraw/zinc/45/62/46/1067456246.db2.gz GFBJYITZJDCSGL-LPHOPBHVSA-N 0 0 451.384 4.667 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)n2)CCCCCC1 ZINC001459852935 1067457176 /nfs/dbraw/zinc/45/71/76/1067457176.db2.gz AWBIJVCLFHKHJF-FGZHOGPDSA-N 0 0 452.599 4.530 20 0 JJADRN C[C@@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001459855277 1067458654 /nfs/dbraw/zinc/45/86/54/1067458654.db2.gz AYKJLNJUALAINO-GOSISDBHSA-N 0 0 457.486 4.975 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001546112286 1067458778 /nfs/dbraw/zinc/45/87/78/1067458778.db2.gz LLXBKRLXDIDXNK-UHFFFAOYSA-N 0 0 490.652 4.848 20 0 JJADRN COc1cc(F)c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC001459860495 1067461340 /nfs/dbraw/zinc/46/13/40/1067461340.db2.gz XYDJFORYSDEKIY-IAGOWNOFSA-N 0 0 450.510 4.752 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC(C)(C)C)C1 ZINC001546112325 1067461383 /nfs/dbraw/zinc/46/13/83/1067461383.db2.gz MYFPIVMAKWBYTG-UHFFFAOYSA-N 0 0 455.647 4.795 20 0 JJADRN COC(=O)c1ccc(OC(=O)c2cccnc2Oc2cccc(Br)c2)cc1OC ZINC001459862302 1067461956 /nfs/dbraw/zinc/46/19/56/1067461956.db2.gz DXSJPFVEAWRDJE-UHFFFAOYSA-N 0 0 458.264 4.651 20 0 JJADRN O=C(c1cc(Br)ccc1Br)N1CCCN(c2ccccc2F)CC1 ZINC001459864354 1067463091 /nfs/dbraw/zinc/46/30/91/1067463091.db2.gz IMLLXIHSGDRRBG-UHFFFAOYSA-N 0 0 456.153 4.703 20 0 JJADRN CN1c2ccc(Br)cc2N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1(C)C ZINC001459865415 1067463679 /nfs/dbraw/zinc/46/36/79/1067463679.db2.gz NSSRVBJGHHUXMK-LJQANCHMSA-N 0 0 459.384 4.882 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001546112361 1067464779 /nfs/dbraw/zinc/46/47/79/1067464779.db2.gz ONOMRFLOSGKCKH-UHFFFAOYSA-N 0 0 498.600 4.810 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)OCc1c(Cl)ccc(F)c1Cl)C(=O)N1CCCC1 ZINC001459868387 1067465228 /nfs/dbraw/zinc/46/52/28/1067465228.db2.gz ILHHHYSNSKOUNF-LBPRGKRZSA-N 0 0 457.354 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC001459868780 1067465700 /nfs/dbraw/zinc/46/57/00/1067465700.db2.gz ZHFURVRUJBZSHT-JTAQYXEDSA-N 0 0 459.606 4.680 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001459869945 1067466929 /nfs/dbraw/zinc/46/69/29/1067466929.db2.gz CDPBVWSNHRDWDO-JOCHJYFZSA-N 0 0 458.986 4.931 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)OCc2c(Cl)ccc(F)c2Cl)ccc1Br ZINC001459870756 1067467277 /nfs/dbraw/zinc/46/72/77/1067467277.db2.gz SRCSYEWPNFMZDA-UHFFFAOYSA-N 0 0 456.116 4.656 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871919 1067467761 /nfs/dbraw/zinc/46/77/61/1067467761.db2.gz CKWCHESEUFGJNQ-GOSISDBHSA-N 0 0 457.640 4.925 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(CCCN(C(=O)OC(C)(C)C)C3CC3)CC2)cc1Cl ZINC001459875553 1067469435 /nfs/dbraw/zinc/46/94/35/1067469435.db2.gz LRGHKCFRUSHFJB-UHFFFAOYSA-N 0 0 451.011 4.588 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001546112417 1067469894 /nfs/dbraw/zinc/46/98/94/1067469894.db2.gz QNYGYSBRRVMBRQ-HXUWFJFHSA-N 0 0 462.685 4.731 20 0 JJADRN O=C(Nc1nc2c(cccc2Br)s1)c1ccc(I)cc1 ZINC001459880054 1067470820 /nfs/dbraw/zinc/47/08/20/1067470820.db2.gz IKFFEEUFNNBECZ-UHFFFAOYSA-N 0 0 459.106 4.916 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459880803 1067471214 /nfs/dbraw/zinc/47/12/14/1067471214.db2.gz MUFAGRMASVVPKX-QFIPXVFZSA-N 0 0 458.521 4.607 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)Cc1ccc(Cl)cc1Br ZINC001459880576 1067471294 /nfs/dbraw/zinc/47/12/94/1067471294.db2.gz UZUJAFRJNWHCHO-SNUQEOBHSA-N 0 0 459.812 4.795 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@H]3[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]3C)c2)c(C)c1 ZINC001459880500 1067471302 /nfs/dbraw/zinc/47/13/02/1067471302.db2.gz USKWRCSSSOZENC-PRCFCKQXSA-N 0 0 453.583 4.829 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001546112439 1067471770 /nfs/dbraw/zinc/47/17/70/1067471770.db2.gz RDACFCWHVWABLB-UHFFFAOYSA-N 0 0 487.620 4.880 20 0 JJADRN COC1(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CCC(c2ccccc2)CC1 ZINC001459882971 1067472312 /nfs/dbraw/zinc/47/23/12/1067472312.db2.gz VVVGSMUPQVTIJO-IDZWTHILSA-N 0 0 450.579 4.647 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2CCOCC2)C1 ZINC001546112475 1067472666 /nfs/dbraw/zinc/47/26/66/1067472666.db2.gz SOHVOEVMOHEZIZ-OYRHEFFESA-N 0 0 475.678 4.882 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(Cl)cccc3n2)ccc1Cl ZINC001459885079 1067472681 /nfs/dbraw/zinc/47/26/81/1067472681.db2.gz WHZSWSWYSFCTCP-UHFFFAOYSA-N 0 0 452.363 4.871 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001546112513 1067472768 /nfs/dbraw/zinc/47/27/68/1067472768.db2.gz UUDMCHFKSZHALM-HYBUGGRVSA-N 0 0 456.631 4.943 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001459887956 1067473576 /nfs/dbraw/zinc/47/35/76/1067473576.db2.gz NYNLZOCZPJLQHY-UHFFFAOYSA-N 0 0 453.276 4.546 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)ccc1C ZINC001459887602 1067473669 /nfs/dbraw/zinc/47/36/69/1067473669.db2.gz LZRUANQFWHCKHY-FQEVSTJZSA-N 0 0 457.368 4.502 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cs1)c1ccc(C)cc1 ZINC001459888166 1067474199 /nfs/dbraw/zinc/47/41/99/1067474199.db2.gz DTSLOFZSTRLQIE-IBGZPJMESA-N 0 0 451.518 4.880 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)CC(F)(F)C(F)(F)F)sc2c1CC[C@H](C)C2 ZINC001459888332 1067474227 /nfs/dbraw/zinc/47/42/27/1067474227.db2.gz YUXZLOOKDBBSKN-WDEREUQCSA-N 0 0 456.477 4.506 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)c1ccc(-n2cc(Br)cn2)cc1 ZINC001459889450 1067474702 /nfs/dbraw/zinc/47/47/02/1067474702.db2.gz IHCMVXDGAPWXQW-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1cccc(-c2cnc(NC(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)s2)c1 ZINC001459890608 1067475344 /nfs/dbraw/zinc/47/53/44/1067475344.db2.gz OBNVHLZJUDHMCJ-KRWDZBQOSA-N 0 0 455.605 4.934 20 0 JJADRN Cc1sc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)nc1-c1ccc(Cl)cc1 ZINC001459890869 1067475349 /nfs/dbraw/zinc/47/53/49/1067475349.db2.gz MIGCVQMMVDDRND-NRFANRHFSA-N 0 0 456.011 4.984 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001546112546 1067475658 /nfs/dbraw/zinc/47/56/58/1067475658.db2.gz VWPDQHXRHLUIJU-CUVVAGTFSA-N 0 0 475.678 4.918 20 0 JJADRN CC(C)c1sc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1-c1ccccc1 ZINC001459892733 1067476289 /nfs/dbraw/zinc/47/62/89/1067476289.db2.gz RGGXSRWKGORSCN-KRWDZBQOSA-N 0 0 458.628 4.813 20 0 JJADRN O=C(Nc1ncccc1C(=O)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459893404 1067476596 /nfs/dbraw/zinc/47/65/96/1067476596.db2.gz FSFNCGKKQFOMQD-INIZCTEOSA-N 0 0 455.283 4.719 20 0 JJADRN CCOC(=O)c1cc(CN[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)on1 ZINC001459896030 1067477741 /nfs/dbraw/zinc/47/77/41/1067477741.db2.gz BKALWILKMQFGEU-NSHDSACASA-N 0 0 450.358 4.897 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Oc1cc(F)c(C)cc1Cl ZINC001459899773 1067479251 /nfs/dbraw/zinc/47/92/51/1067479251.db2.gz PUPOQCQXMAKGOC-UHFFFAOYSA-N 0 0 453.853 4.812 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc3c(c2)CCCC3=O)C1 ZINC001459900238 1067479304 /nfs/dbraw/zinc/47/93/04/1067479304.db2.gz KNZNFAUAJLPEBQ-FQEVSTJZSA-N 0 0 455.396 4.984 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CCc2cccc3c2OCO3)C1 ZINC001459900590 1067479759 /nfs/dbraw/zinc/47/97/59/1067479759.db2.gz LAIUWSTXAIIFIU-IBGZPJMESA-N 0 0 459.384 4.512 20 0 JJADRN Cc1cc(I)cc(NC(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)c1 ZINC001459901349 1067480431 /nfs/dbraw/zinc/48/04/31/1067480431.db2.gz KZHBUWOLLVDDKU-SOFGYWHQSA-N 0 0 453.276 4.800 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c(C)nc1C ZINC001459902777 1067480803 /nfs/dbraw/zinc/48/08/03/1067480803.db2.gz SUTKKALRQMDEKL-LJQANCHMSA-N 0 0 458.400 4.679 20 0 JJADRN COC(=O)c1ccc(OCCN2CCc3c(Br)ccc(Cl)c3C2)c(Cl)c1 ZINC001459902266 1067480842 /nfs/dbraw/zinc/48/08/42/1067480842.db2.gz JVSSBDQXEBEFCR-UHFFFAOYSA-N 0 0 459.167 4.980 20 0 JJADRN Cc1c(C(=O)Nc2cc(C)cc(I)c2)cnn1-c1cccc(Cl)c1 ZINC001459902022 1067480908 /nfs/dbraw/zinc/48/09/08/1067480908.db2.gz MMGIHHHIQUULHP-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H]2CCC(=O)c3ccccc32)C1 ZINC001459903600 1067481356 /nfs/dbraw/zinc/48/13/56/1067481356.db2.gz VECZGRNCJPAGJS-RXVVDRJESA-N 0 0 455.396 4.911 20 0 JJADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2(C)C)C1 ZINC001546112609 1067481780 /nfs/dbraw/zinc/48/17/80/1067481780.db2.gz XZASFIULAMTRAG-QGZVFWFLSA-N 0 0 461.701 4.818 20 0 JJADRN COc1ccccc1O[C@H]1CCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001459907816 1067484040 /nfs/dbraw/zinc/48/40/40/1067484040.db2.gz CXTDHTTWBFRYIB-SFTDATJTSA-N 0 0 454.567 4.721 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(S(C)(=O)=O)o1 ZINC001459907941 1067484088 /nfs/dbraw/zinc/48/40/88/1067484088.db2.gz FJXVJYYPNWXTPP-LLVKDONJSA-N 0 0 455.399 4.728 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001459909142 1067484537 /nfs/dbraw/zinc/48/45/37/1067484537.db2.gz AJMWOQYPPYTOBL-QFIPXVFZSA-N 0 0 451.567 4.848 20 0 JJADRN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 ZINC001459910864 1067485800 /nfs/dbraw/zinc/48/58/00/1067485800.db2.gz XLAYWROMWMCIAN-UHFFFAOYSA-N 0 0 453.589 4.823 20 0 JJADRN C[C@@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1nnnn1-c1ccccc1 ZINC001459910724 1067485802 /nfs/dbraw/zinc/48/58/02/1067485802.db2.gz NTKQVWRGXGIENL-KGLIPLIRSA-N 0 0 455.385 4.960 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1C ZINC001459910636 1067485816 /nfs/dbraw/zinc/48/58/16/1067485816.db2.gz MWBYUTZAQWFTEC-HNNXBMFYSA-N 0 0 451.527 4.905 20 0 JJADRN CCOC(=O)c1cc(CN[C@H](C)c2sc(-c3ccccc3Br)nc2C)on1 ZINC001459910728 1067485877 /nfs/dbraw/zinc/48/58/77/1067485877.db2.gz NYEGKLLRAIGGGW-LLVKDONJSA-N 0 0 450.358 4.897 20 0 JJADRN Cc1cc(-c2noc(CN[C@H](C)c3nc(-c4ccc(Br)cc4)no3)n2)ccc1F ZINC001459911237 1067486305 /nfs/dbraw/zinc/48/63/05/1067486305.db2.gz MEYFOLRBLZPAQB-GFCCVEGCSA-N 0 0 458.291 4.847 20 0 JJADRN O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cn2c(Br)cnc2s1 ZINC001459911930 1067486723 /nfs/dbraw/zinc/48/67/23/1067486723.db2.gz VMERSGCOLXSRHP-UHFFFAOYSA-N 0 0 453.518 4.966 20 0 JJADRN CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001459911954 1067486896 /nfs/dbraw/zinc/48/68/96/1067486896.db2.gz VXRWUUQYVXDEOY-UHFFFAOYSA-N 0 0 455.908 4.677 20 0 JJADRN O=C1[C@H](N2CCO[C@@H](c3cccc(Cl)c3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001459913971 1067487875 /nfs/dbraw/zinc/48/78/75/1067487875.db2.gz OYZZDPQXHSKLQO-NHCUHLMSSA-N 0 0 452.904 4.923 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)c3cnn(C(C)C)c3I)C2)cc1 ZINC001459913796 1067487909 /nfs/dbraw/zinc/48/79/09/1067487909.db2.gz QGEVGELSXQJDRM-KRWDZBQOSA-N 0 0 451.352 4.651 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1Cl ZINC001459914375 1067488256 /nfs/dbraw/zinc/48/82/56/1067488256.db2.gz OLFYEQQFKMRSFI-MRXNPFEDSA-N 0 0 459.812 4.941 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](O)CNC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001459915378 1067488266 /nfs/dbraw/zinc/48/82/66/1067488266.db2.gz SLPMWCGKGPGPNP-IBGZPJMESA-N 0 0 450.624 4.532 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1Cl ZINC001459914372 1067488274 /nfs/dbraw/zinc/48/82/74/1067488274.db2.gz OLFYEQQFKMRSFI-INIZCTEOSA-N 0 0 459.812 4.941 20 0 JJADRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC001459915142 1067488278 /nfs/dbraw/zinc/48/82/78/1067488278.db2.gz VJILNPXQZJGKGA-UHFFFAOYSA-N 0 0 453.969 4.544 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001459917118 1067489929 /nfs/dbraw/zinc/48/99/29/1067489929.db2.gz BTULEAJQEHTDNB-INIZCTEOSA-N 0 0 452.324 4.541 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001459917720 1067489975 /nfs/dbraw/zinc/48/99/75/1067489975.db2.gz FXZXNRHOUJYQTP-LAUBAEHRSA-N 0 0 459.587 4.741 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(CC(=O)N3CCCCCC3)C(C)C)c21 ZINC001459919241 1067490791 /nfs/dbraw/zinc/49/07/91/1067490791.db2.gz IMLZMLRAAQKTBR-UHFFFAOYSA-N 0 0 452.555 4.859 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)c2nc(Br)ccc2Br)cc1 ZINC001459919447 1067490864 /nfs/dbraw/zinc/49/08/64/1067490864.db2.gz HGBYVTALHPBZJI-GFCCVEGCSA-N 0 0 456.178 4.927 20 0 JJADRN Cc1noc(C2(C)CCN(CC(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2)n1 ZINC001459920258 1067491252 /nfs/dbraw/zinc/49/12/52/1067491252.db2.gz CPBSYKYZIPDFQL-UHFFFAOYSA-N 0 0 453.612 4.791 20 0 JJADRN C[C@@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1)c1cccc(Br)c1 ZINC001459926594 1067494842 /nfs/dbraw/zinc/49/48/42/1067494842.db2.gz YHKMILXYAQIIOG-YLJYHZDGSA-N 0 0 451.405 4.802 20 0 JJADRN Nc1nc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926024 1067494879 /nfs/dbraw/zinc/49/48/79/1067494879.db2.gz BSJKEHUSBFXOAH-QFIPXVFZSA-N 0 0 452.480 4.967 20 0 JJADRN O=C(c1cnn(-c2ccccc2F)c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459931743 1067496451 /nfs/dbraw/zinc/49/64/51/1067496451.db2.gz JGRVBGHWCPYMGS-UHFFFAOYSA-N 0 0 452.839 4.646 20 0 JJADRN Brc1ccc(-c2noc(CN3CCc4cc(Br)ccc4C3)n2)s1 ZINC001459932863 1067497000 /nfs/dbraw/zinc/49/70/00/1067497000.db2.gz SWSLQZMTSHWCRN-UHFFFAOYSA-N 0 0 455.175 4.881 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N([C@H](C)c2ccccc2)C2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001459935848 1067498527 /nfs/dbraw/zinc/49/85/27/1067498527.db2.gz OILPNEZZRAPVOM-ZPZUNKDASA-N 0 0 450.579 4.945 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CCCC1 ZINC001459937416 1067499214 /nfs/dbraw/zinc/49/92/14/1067499214.db2.gz WHAQBHSOJCJOLI-HNNXBMFYSA-N 0 0 450.398 4.999 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)c2)cn1 ZINC001459941981 1067500524 /nfs/dbraw/zinc/50/05/24/1067500524.db2.gz QBTKINJPUHYZGM-HSZRJFAPSA-N 0 0 451.567 4.586 20 0 JJADRN Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 ZINC001459941165 1067500572 /nfs/dbraw/zinc/50/05/72/1067500572.db2.gz DCUKXNFNQLUDFF-UHFFFAOYSA-N 0 0 456.980 4.998 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)CC[C@H](C)C4)nn2)cc1 ZINC001459943737 1067501104 /nfs/dbraw/zinc/50/11/04/1067501104.db2.gz HSKDHXAQZWAAEZ-HNNXBMFYSA-N 0 0 452.580 4.970 20 0 JJADRN COCCC[C@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)c1ccc(Cl)cc1 ZINC001459944073 1067501421 /nfs/dbraw/zinc/50/14/21/1067501421.db2.gz GRCSJQMSMNZCDI-OAHLLOKOSA-N 0 0 456.812 4.994 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)c3c(Br)cnn3C)c2C(=O)OC(C)(C)C)C1 ZINC001459945607 1067502258 /nfs/dbraw/zinc/50/22/58/1067502258.db2.gz OKUURROCYYJSJT-JTQLQIEISA-N 0 0 454.390 4.577 20 0 JJADRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001459945476 1067502311 /nfs/dbraw/zinc/50/23/11/1067502311.db2.gz GNWVPAPEHACTDA-QMTHXVAHSA-N 0 0 452.260 4.544 20 0 JJADRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC001459948427 1067502895 /nfs/dbraw/zinc/50/28/95/1067502895.db2.gz XWJYYFMCFKOLDZ-FZKQIMNGSA-N 0 0 458.274 4.820 20 0 JJADRN COc1ccccc1-c1nc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951364 1067504331 /nfs/dbraw/zinc/50/43/31/1067504331.db2.gz QCHZMQHZUGEYPF-NZQKXSOJSA-N 0 0 457.933 4.983 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCC2(c3ccc(Br)s3)CCC2)C1 ZINC001459952484 1067504897 /nfs/dbraw/zinc/50/48/97/1067504897.db2.gz XIFVYUKPKSZOEA-CQSZACIVSA-N 0 0 455.418 4.662 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCC2(c3ccc(Br)s3)CCC2)C1 ZINC001459952480 1067504923 /nfs/dbraw/zinc/50/49/23/1067504923.db2.gz XIFVYUKPKSZOEA-AWEZNQCLSA-N 0 0 455.418 4.662 20 0 JJADRN COc1cccc(-c2nnc(CN(Cc3cccc(Br)c3)C3CCOCC3)o2)c1 ZINC001459952792 1067504933 /nfs/dbraw/zinc/50/49/33/1067504933.db2.gz LKXZMBCYHDEQAH-UHFFFAOYSA-N 0 0 458.356 4.689 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(c3ccncc3)CC2)cc1 ZINC001459952888 1067505156 /nfs/dbraw/zinc/50/51/56/1067505156.db2.gz QOKFXFZVSOSNQD-LJQANCHMSA-N 0 0 458.562 4.549 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC001459955794 1067506314 /nfs/dbraw/zinc/50/63/14/1067506314.db2.gz VNXIFLLXABFBLX-CVEARBPZSA-N 0 0 452.509 4.912 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001459956627 1067506660 /nfs/dbraw/zinc/50/66/60/1067506660.db2.gz BUQDUSHQAOZSCA-UWVAXJGDSA-N 0 0 456.970 4.710 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)cc1 ZINC001459957265 1067506672 /nfs/dbraw/zinc/50/66/72/1067506672.db2.gz HYWIAZWULRJFSS-SFHVURJKSA-N 0 0 453.608 4.763 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001459958313 1067507023 /nfs/dbraw/zinc/50/70/23/1067507023.db2.gz FHPYSAPWWSDWND-UGSOOPFHSA-N 0 0 455.755 4.951 20 0 JJADRN CCCCC[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)C(C)C ZINC001459960680 1067508065 /nfs/dbraw/zinc/50/80/65/1067508065.db2.gz NKHQJTDOSUTOQG-PXNSSMCTSA-N 0 0 451.405 4.983 20 0 JJADRN CC(=O)N(c1nc(CN(C)[C@H](C)C(=O)NC(C)(C)C)cs1)c1ccc(C(F)(F)F)cc1 ZINC001459964145 1067509137 /nfs/dbraw/zinc/50/91/37/1067509137.db2.gz NHNCGZVGPOJABU-CYBMUJFWSA-N 0 0 456.534 4.582 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc2ccccc2c1 ZINC001459962656 1067509326 /nfs/dbraw/zinc/50/93/26/1067509326.db2.gz QWDNZROYGXTHTL-NRFANRHFSA-N 0 0 451.320 4.598 20 0 JJADRN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459964271 1067509514 /nfs/dbraw/zinc/50/95/14/1067509514.db2.gz YCLOSMQHMWTKNJ-CQSZACIVSA-N 0 0 450.427 4.958 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC001459964370 1067509555 /nfs/dbraw/zinc/50/95/55/1067509555.db2.gz BYJONUTZFBBBHB-UHFFFAOYSA-N 0 0 450.516 4.609 20 0 JJADRN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459964269 1067509572 /nfs/dbraw/zinc/50/95/72/1067509572.db2.gz YCLOSMQHMWTKNJ-AWEZNQCLSA-N 0 0 450.427 4.958 20 0 JJADRN CCOC(=O)[C@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(OC)c(F)c1 ZINC001459972226 1067511163 /nfs/dbraw/zinc/51/11/63/1067511163.db2.gz USGKURDCQNZQDF-GOSISDBHSA-N 0 0 454.285 4.585 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)NCc1ccncc1OCc1ccccc1 ZINC001459973561 1067511403 /nfs/dbraw/zinc/51/14/03/1067511403.db2.gz HPHZDQXBMDUYGZ-UHFFFAOYSA-N 0 0 455.352 4.899 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)CO1 ZINC001459973704 1067511452 /nfs/dbraw/zinc/51/14/52/1067511452.db2.gz HWGMODXORLCPDE-RTBURBONSA-N 0 0 455.517 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001459972917 1067511471 /nfs/dbraw/zinc/51/14/71/1067511471.db2.gz DBEIMURLGXJUSC-NRFANRHFSA-N 0 0 451.498 4.745 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)CO1 ZINC001459973701 1067511574 /nfs/dbraw/zinc/51/15/74/1067511574.db2.gz HWGMODXORLCPDE-RBUKOAKNSA-N 0 0 455.517 4.971 20 0 JJADRN COc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cc1OC1CCCC1 ZINC001459974028 1067511856 /nfs/dbraw/zinc/51/18/56/1067511856.db2.gz GPFINKDAULAQMV-UHFFFAOYSA-N 0 0 459.384 4.742 20 0 JJADRN COc1ccc(N=c2scc(CN3C[C@@H](O)CC(F)(F)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459975356 1067512082 /nfs/dbraw/zinc/51/20/82/1067512082.db2.gz YMAIJRCDYSHCNW-UWJYYQICSA-N 0 0 459.562 4.602 20 0 JJADRN O=C(N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccnc(N2CCCCC2)n1 ZINC001459975483 1067512157 /nfs/dbraw/zinc/51/21/57/1067512157.db2.gz LSLFEAATWRHMSZ-QGZVFWFLSA-N 0 0 452.773 4.790 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CCCCCC1 ZINC001459975215 1067512239 /nfs/dbraw/zinc/51/22/39/1067512239.db2.gz FZCBIJVDOONLIL-QPXUXIHVSA-N 0 0 456.627 4.881 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4cccc(Br)c4)CC3)o2)cc1 ZINC001459976707 1067512467 /nfs/dbraw/zinc/51/24/67/1067512467.db2.gz NOAYWYLTBGJRSZ-UHFFFAOYSA-N 0 0 453.336 4.874 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001459976641 1067512506 /nfs/dbraw/zinc/51/25/06/1067512506.db2.gz VXLXOXOBYORZLE-UHFFFAOYSA-N 0 0 450.516 4.609 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC001459977350 1067512923 /nfs/dbraw/zinc/51/29/23/1067512923.db2.gz XGNQCPFBPQZUTA-CXAGYDPISA-N 0 0 458.817 4.980 20 0 JJADRN O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(Br)nc(Br)c1 ZINC001459976992 1067512957 /nfs/dbraw/zinc/51/29/57/1067512957.db2.gz PRQHHWJTRLZCCM-UHFFFAOYSA-N 0 0 454.162 4.858 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC001459977917 1067513576 /nfs/dbraw/zinc/51/35/76/1067513576.db2.gz KDSMQSSVBYQHKF-QPPBQGQZSA-N 0 0 454.998 4.930 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3c(C)nc(-c4ccco4)nc3SC)CC2)cc1Cl ZINC001459984766 1067515583 /nfs/dbraw/zinc/51/55/83/1067515583.db2.gz HAXOOEQUMRDDSC-UHFFFAOYSA-N 0 0 456.999 4.945 20 0 JJADRN CCc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1Cl ZINC001459984807 1067515610 /nfs/dbraw/zinc/51/56/10/1067515610.db2.gz HTMDVQFPVDLTTD-UHFFFAOYSA-N 0 0 454.977 4.735 20 0 JJADRN CCOc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C ZINC001459986154 1067515900 /nfs/dbraw/zinc/51/59/00/1067515900.db2.gz CIMOBTCLOKSFNI-KRWDZBQOSA-N 0 0 450.322 4.544 20 0 JJADRN CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)C[C@@H](O)C(F)(F)F ZINC001459985342 1067515954 /nfs/dbraw/zinc/51/59/54/1067515954.db2.gz FQSTYVJSGVTXTN-OAHLLOKOSA-N 0 0 455.424 4.592 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 ZINC001459986593 1067515973 /nfs/dbraw/zinc/51/59/73/1067515973.db2.gz BHCYMYFVUNVQDH-UHFFFAOYSA-N 0 0 456.505 4.814 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001459987691 1067516336 /nfs/dbraw/zinc/51/63/36/1067516336.db2.gz UBNSLKOAYAVJOX-XXBNENTESA-N 0 0 456.373 4.999 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001459990479 1067517648 /nfs/dbraw/zinc/51/76/48/1067517648.db2.gz MCPFOMACKFBPRR-OAHLLOKOSA-N 0 0 456.892 4.858 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3ccc(O[C@@H](C)C(F)(F)F)nc3C)CC2)cc1Cl ZINC001459990993 1067517661 /nfs/dbraw/zinc/51/76/61/1067517661.db2.gz ZWNLQCJYIBTOEE-HNNXBMFYSA-N 0 0 455.908 4.898 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)N(CCn3ccnc3)C3CCSCC3)cs2)cc1 ZINC001459992895 1067518378 /nfs/dbraw/zinc/51/83/78/1067518378.db2.gz NKGMMOZVKPPTAW-UHFFFAOYSA-N 0 0 456.637 4.833 20 0 JJADRN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N(CCn1ccnc1)C1CCSCC1 ZINC001459992901 1067518400 /nfs/dbraw/zinc/51/84/00/1067518400.db2.gz NQFCMZZMJAFOQF-UHFFFAOYSA-N 0 0 451.379 4.883 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nnn1-c1ccc(F)c(F)c1 ZINC001459993590 1067518766 /nfs/dbraw/zinc/51/87/66/1067518766.db2.gz MJCZVMAQGCMNOO-OAHLLOKOSA-N 0 0 450.411 4.893 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2nc3c(s2)CSCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459994834 1067519083 /nfs/dbraw/zinc/51/90/83/1067519083.db2.gz RWNNIRZLRIGQGH-KZULUSFZSA-N 0 0 453.992 4.662 20 0 JJADRN Cc1cc(F)c(F)cc1OC(=O)c1cc(Br)cc(I)c1 ZINC001459994600 1067519143 /nfs/dbraw/zinc/51/91/43/1067519143.db2.gz HUZYOLAGANAXDZ-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN COCCOc1cccc(CNC(=O)CN2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996772 1067520004 /nfs/dbraw/zinc/52/00/04/1067520004.db2.gz MEMTYRIQPHOVSW-JOCHJYFZSA-N 0 0 450.501 4.574 20 0 JJADRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(Br)cc1Cl ZINC001460001348 1067521900 /nfs/dbraw/zinc/52/19/00/1067521900.db2.gz VRXOJMPKWKLRKB-CQSZACIVSA-N 0 0 457.821 4.835 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460004927 1067523231 /nfs/dbraw/zinc/52/32/31/1067523231.db2.gz IUEVZIVJQPFWTR-NIKGAXFTSA-N 0 0 450.519 4.630 20 0 JJADRN O=C(Nc1cc(Cl)ccn1)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001460004628 1067523263 /nfs/dbraw/zinc/52/32/63/1067523263.db2.gz YJLMPHJIAJNXDB-UHFFFAOYSA-N 0 0 452.170 4.876 20 0 JJADRN COC(=O)c1coc([C@H](C)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460006981 1067524228 /nfs/dbraw/zinc/52/42/28/1067524228.db2.gz ZXGNRHHOCRLGKZ-ZUZCIYMTSA-N 0 0 452.351 4.633 20 0 JJADRN COC(=O)c1coc([C@@H](C)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 ZINC001460006978 1067524417 /nfs/dbraw/zinc/52/44/17/1067524417.db2.gz ZXGNRHHOCRLGKZ-BMIGLBTASA-N 0 0 452.351 4.633 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC001460007810 1067524862 /nfs/dbraw/zinc/52/48/62/1067524862.db2.gz QPGUMNVTZQZNGO-UHFFFAOYSA-N 0 0 450.866 4.587 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCc2cccc(-c3ccccn3)c2)cc1 ZINC001460007479 1067524885 /nfs/dbraw/zinc/52/48/85/1067524885.db2.gz RVBVDYCQWRSMRR-UHFFFAOYSA-N 0 0 452.576 4.916 20 0 JJADRN COCc1c(C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)sc2cccc(F)c21 ZINC001460008557 1067525188 /nfs/dbraw/zinc/52/51/88/1067525188.db2.gz JXDFVYVJFVNLAJ-UHFFFAOYSA-N 0 0 458.490 4.557 20 0 JJADRN Cc1ccccc1-c1nc(C(=O)OCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cs1 ZINC001460008830 1067525328 /nfs/dbraw/zinc/52/53/28/1067525328.db2.gz ZZAKOLQNTZDNAJ-UHFFFAOYSA-N 0 0 455.479 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOC(=O)Cc2ccccc2)[C@H](c2cccc(Cl)c2)C1 ZINC001460010179 1067526020 /nfs/dbraw/zinc/52/60/20/1067526020.db2.gz ZYMGEWBZTHNBDE-QFIPXVFZSA-N 0 0 458.986 4.720 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC001460011229 1067526381 /nfs/dbraw/zinc/52/63/81/1067526381.db2.gz NMKMXLGKTBKQHI-YADARESESA-N 0 0 455.643 4.632 20 0 JJADRN CC(C)CN(C(=O)CSCc1cc(=O)n2ccsc2n1)[C@@H](C)c1ccccc1Cl ZINC001460012802 1067526908 /nfs/dbraw/zinc/52/69/08/1067526908.db2.gz BVLBQZJSKATPFG-HNNXBMFYSA-N 0 0 450.029 4.888 20 0 JJADRN CC[C@H]1[C@H](C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001460013524 1067527374 /nfs/dbraw/zinc/52/73/74/1067527374.db2.gz ITSVRODJVNFTCE-QUCCMNQESA-N 0 0 450.023 4.723 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001460014806 1067527866 /nfs/dbraw/zinc/52/78/66/1067527866.db2.gz NQYJACNDCBLJLS-BGYRXZFFSA-N 0 0 456.030 4.610 20 0 JJADRN COc1c(F)ccc(F)c1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001460015258 1067528267 /nfs/dbraw/zinc/52/82/67/1067528267.db2.gz PRVGHFZTUGXQHU-MRXNPFEDSA-N 0 0 450.835 4.982 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1ccncc1N1CCCC1)c1ccc(Cl)cc1 ZINC001460017371 1067529139 /nfs/dbraw/zinc/52/91/39/1067529139.db2.gz WUXYXSONPUIAFD-LJQANCHMSA-N 0 0 454.924 4.691 20 0 JJADRN Cc1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)nnn1-c1cccc(C)c1 ZINC001460018784 1067530054 /nfs/dbraw/zinc/53/00/54/1067530054.db2.gz WXCHYBBXKLFXSI-JOCHJYFZSA-N 0 0 458.484 4.801 20 0 JJADRN Cc1ccc(NC(=O)NC(=O)CN2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1C ZINC001460020649 1067531105 /nfs/dbraw/zinc/53/11/05/1067531105.db2.gz SCHQIHYQFOBNBU-UHFFFAOYSA-N 0 0 451.464 4.931 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2Cc3cccc(Br)c3C[C@H]2CC)s1 ZINC001460021960 1067531385 /nfs/dbraw/zinc/53/13/85/1067531385.db2.gz XVTZVOHPISYLSW-OAHLLOKOSA-N 0 0 451.434 4.809 20 0 JJADRN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001460021941 1067531537 /nfs/dbraw/zinc/53/15/37/1067531537.db2.gz XMUHHUCJRVPRQX-WCBMZHEXSA-N 0 0 459.715 4.668 20 0 JJADRN Cc1cc([C@H]2CCCN2Cc2nc(N)nc(Nc3ccccc3C)n2)ccc1Br ZINC001460023281 1067531957 /nfs/dbraw/zinc/53/19/57/1067531957.db2.gz LRCIQUPLNCXDHI-LJQANCHMSA-N 0 0 453.388 4.914 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001460023387 1067532310 /nfs/dbraw/zinc/53/23/10/1067532310.db2.gz IMPMEDOAYWNVTF-CQSZACIVSA-N 0 0 456.801 4.921 20 0 JJADRN O=C(Nc1nccn1Cc1ccccc1Cl)c1cnn(-c2cccc(Br)c2)c1 ZINC001460025147 1067532758 /nfs/dbraw/zinc/53/27/58/1067532758.db2.gz VICGOTZQGFHVAZ-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(Br)c2)[C@@H](c2cccnc2)C1 ZINC001460026336 1067532777 /nfs/dbraw/zinc/53/27/77/1067532777.db2.gz UIOSICBDQUBUFH-LJQANCHMSA-N 0 0 450.352 4.777 20 0 JJADRN CCc1ccc(N2C[C@@H](C(=O)NCc3cc(C)cc(NC(=O)OC(C)(C)C)c3)CC2=O)cc1 ZINC001460026458 1067532802 /nfs/dbraw/zinc/53/28/02/1067532802.db2.gz IXOSFAUKTQFSNC-FQEVSTJZSA-N 0 0 451.567 4.574 20 0 JJADRN Cc1ccc([C@@H](NCc2nnc(-c3c(Cl)cccc3Cl)o2)[C@H](C)S(C)(=O)=O)cc1 ZINC001460030687 1067533938 /nfs/dbraw/zinc/53/39/38/1067533938.db2.gz WNNXRWQVZYIRIV-DJJJIMSYSA-N 0 0 454.379 4.616 20 0 JJADRN C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1Cl ZINC001460033494 1067535025 /nfs/dbraw/zinc/53/50/25/1067535025.db2.gz JGDYSCRSQHNVEW-NSHDSACASA-N 0 0 458.271 4.882 20 0 JJADRN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC001460034298 1067535245 /nfs/dbraw/zinc/53/52/45/1067535245.db2.gz YZQDHKSFDRJOGH-LZBANZJXSA-N 0 0 452.599 4.515 20 0 JJADRN CCCCc1cnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)nc1 ZINC001460034278 1067535255 /nfs/dbraw/zinc/53/52/55/1067535255.db2.gz YUOXZTJKNSFFNR-UHFFFAOYSA-N 0 0 457.534 4.941 20 0 JJADRN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC001460034295 1067535304 /nfs/dbraw/zinc/53/53/04/1067535304.db2.gz YZQDHKSFDRJOGH-HRTMPFAESA-N 0 0 452.599 4.515 20 0 JJADRN Cc1cc(CNC(=O)C(=O)c2ccc(Br)s2)cc(NC(=O)OC(C)(C)C)c1 ZINC001460034508 1067535378 /nfs/dbraw/zinc/53/53/78/1067535378.db2.gz UPDIZCBAHFBDMD-UHFFFAOYSA-N 0 0 453.358 4.665 20 0 JJADRN COC(=O)/C=C\c1ccc(OCCN2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 ZINC001460041047 1067536580 /nfs/dbraw/zinc/53/65/80/1067536580.db2.gz SILZLEBFPAZBHC-GHXNOFRVSA-N 0 0 459.384 4.749 20 0 JJADRN CCOC(=O)C1=C(CN2C[C@H](C(C)C)c3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460046658 1067538338 /nfs/dbraw/zinc/53/83/38/1067538338.db2.gz SFHQTZMQMSMNPM-XXBNENTESA-N 0 0 453.970 4.771 20 0 JJADRN O=C(NC[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1)OCc1ccccc1 ZINC001460046612 1067538440 /nfs/dbraw/zinc/53/84/40/1067538440.db2.gz RNLODJHCUQRDBW-INIZCTEOSA-N 0 0 453.327 4.866 20 0 JJADRN Cc1ccc(C)c(NC(=O)Cc2nc(CNC3(c4ccc(F)cc4)CCOCC3)cs2)c1 ZINC001460047374 1067538803 /nfs/dbraw/zinc/53/88/03/1067538803.db2.gz RLXXFBRQFCMBNB-UHFFFAOYSA-N 0 0 453.583 4.876 20 0 JJADRN COc1ccccc1-c1csc([C@@H]2CCCN(CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC001460048794 1067539245 /nfs/dbraw/zinc/53/92/45/1067539245.db2.gz SAPAUNVIHZHJAV-OAHLLOKOSA-N 0 0 457.625 4.612 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1noc(-c2ccc(F)cc2F)n1)Cc1ccccc1 ZINC001460052183 1067539870 /nfs/dbraw/zinc/53/98/70/1067539870.db2.gz QEBJKMZPVSMRDN-UHFFFAOYSA-N 0 0 458.509 4.932 20 0 JJADRN CC[C@@H](C(=O)OC(C)(C)C)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001460053880 1067540073 /nfs/dbraw/zinc/54/00/73/1067540073.db2.gz JAELPRDWZWKNIO-KRWDZBQOSA-N 0 0 450.377 4.799 20 0 JJADRN CN=[S@](C)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 ZINC001460054450 1067540086 /nfs/dbraw/zinc/54/00/86/1067540086.db2.gz MTDJWBMWIZGWGT-GDLZYMKVSA-N 0 0 451.379 4.885 20 0 JJADRN CN=[S@@](C)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 ZINC001460054453 1067540098 /nfs/dbraw/zinc/54/00/98/1067540098.db2.gz MTDJWBMWIZGWGT-LJAQVGFWSA-N 0 0 451.379 4.885 20 0 JJADRN CN=[S@@](C)(=O)c1cccc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001460054655 1067540118 /nfs/dbraw/zinc/54/01/18/1067540118.db2.gz NTWPZYKLFCPKJG-SANMLTNESA-N 0 0 451.264 4.687 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN3CC[C@H](c4ccc(C)cc4C)C3)n2)c(OC)c1 ZINC001460056987 1067541000 /nfs/dbraw/zinc/54/10/00/1067541000.db2.gz SYOJTYJBRZXDJJ-SFHVURJKSA-N 0 0 451.592 4.872 20 0 JJADRN Cc1cc2c(o1)c(C(=O)Nc1cccc(N3C(=O)N[C@@H](C)C3=O)c1C)ccc2Br ZINC001460061118 1067542234 /nfs/dbraw/zinc/54/22/34/1067542234.db2.gz IOFKEGUPFQOVEQ-LBPRGKRZSA-N 0 0 456.296 4.509 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCCC[C@H]3COC(=O)NC(C)C)n2)cc1C ZINC001460063116 1067542893 /nfs/dbraw/zinc/54/28/93/1067542893.db2.gz RLCHNIYGUSGSOL-IBGZPJMESA-N 0 0 458.628 4.663 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1ccc(F)c(I)c1 ZINC001460062529 1067543007 /nfs/dbraw/zinc/54/30/07/1067543007.db2.gz PUCOPOWUAWWKRP-CRFBAAHOSA-N 0 0 454.279 4.825 20 0 JJADRN CCOC(=O)c1sc2[nH]c([C@H](C)N3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064495 1067543730 /nfs/dbraw/zinc/54/37/30/1067543730.db2.gz KCZKDLHTTGZQHN-QFBILLFUSA-N 0 0 453.608 4.973 20 0 JJADRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001460065836 1067544167 /nfs/dbraw/zinc/54/41/67/1067544167.db2.gz ACRFVDLIGYKNCG-SFHVURJKSA-N 0 0 452.386 4.597 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001460065835 1067544268 /nfs/dbraw/zinc/54/42/68/1067544268.db2.gz ACRFVDLIGYKNCG-GOSISDBHSA-N 0 0 452.386 4.597 20 0 JJADRN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC001460068445 1067545157 /nfs/dbraw/zinc/54/51/57/1067545157.db2.gz DCKWUCQGJGAYRA-CJNGLKHVSA-N 0 0 453.370 4.549 20 0 JJADRN CCCCN(C(=O)c1nn(-c2ccccc2F)cc1Br)[C@@H]1CCCC[C@H]1OC ZINC001460070348 1067545700 /nfs/dbraw/zinc/54/57/00/1067545700.db2.gz RTSJMCBYAWCAMO-RTBURBONSA-N 0 0 452.368 4.974 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2cccc(C)c2)CCS1 ZINC001546113658 1067545968 /nfs/dbraw/zinc/54/59/68/1067545968.db2.gz GNZZQEWIIYIIIP-HXUWFJFHSA-N 0 0 455.672 4.738 20 0 JJADRN O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460071001 1067546016 /nfs/dbraw/zinc/54/60/16/1067546016.db2.gz JRLXKJILHFBFOJ-HUUCEWRRSA-N 0 0 451.316 4.575 20 0 JJADRN COCC[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1cccc(C(F)(F)F)c1 ZINC001460073834 1067546812 /nfs/dbraw/zinc/54/68/12/1067546812.db2.gz DHFJTFBXJHDGFU-SJLPKXTDSA-N 0 0 458.274 4.665 20 0 JJADRN COCC[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1cccc(C(F)(F)F)c1 ZINC001460073841 1067546916 /nfs/dbraw/zinc/54/69/16/1067546916.db2.gz DHFJTFBXJHDGFU-WMZOPIPTSA-N 0 0 458.274 4.665 20 0 JJADRN Cc1c(=O)c2cccc(C(=O)Nc3ccc(F)c(S(C)(=O)=O)c3)c2oc1-c1ccccc1 ZINC001460075601 1067547725 /nfs/dbraw/zinc/54/77/25/1067547725.db2.gz AGAWIHWKOMRNAC-UHFFFAOYSA-N 0 0 451.475 4.563 20 0 JJADRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1C[C@H](C(F)(F)F)OC[C@H]1C ZINC001460075916 1067547748 /nfs/dbraw/zinc/54/77/48/1067547748.db2.gz BISMWXMZXJWVAE-MEBBXXQBSA-N 0 0 450.251 4.524 20 0 JJADRN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN(C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078665 1067548018 /nfs/dbraw/zinc/54/80/18/1067548018.db2.gz HQMXOKHKRDNMHX-QGZVFWFLSA-N 0 0 458.584 4.547 20 0 JJADRN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001460077333 1067548044 /nfs/dbraw/zinc/54/80/44/1067548044.db2.gz UYNKAVNCJGTEGS-PKTZIBPZSA-N 0 0 465.981 4.973 20 0 JJADRN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN(C)Cc2nc(-c3cccs3)no2)cc1 ZINC001460078662 1067548148 /nfs/dbraw/zinc/54/81/48/1067548148.db2.gz HQMXOKHKRDNMHX-KRWDZBQOSA-N 0 0 458.584 4.547 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(I)cc2)CC1 ZINC001460081428 1067548462 /nfs/dbraw/zinc/54/84/62/1067548462.db2.gz ZBFDTRQJIYHSHA-IBGZPJMESA-N 0 0 456.368 4.514 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(I)cc2)CC1 ZINC001460081430 1067549079 /nfs/dbraw/zinc/54/90/79/1067549079.db2.gz ZBFDTRQJIYHSHA-LJQANCHMSA-N 0 0 456.368 4.514 20 0 JJADRN O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2c(F)ccc(Br)c2F)C1 ZINC001460083782 1067549841 /nfs/dbraw/zinc/54/98/41/1067549841.db2.gz WFSYVVOBUNZXKJ-KRWDZBQOSA-N 0 0 451.355 4.831 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460084781 1067550340 /nfs/dbraw/zinc/55/03/40/1067550340.db2.gz OCRWPQGOBAQIAM-MRXNPFEDSA-N 0 0 459.395 4.500 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)CCS1 ZINC001546113776 1067550866 /nfs/dbraw/zinc/55/08/66/1067550866.db2.gz KRDMUULDPJPXJP-RUZDIDTESA-N 0 0 497.665 4.760 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001460089222 1067551273 /nfs/dbraw/zinc/55/12/73/1067551273.db2.gz UGCCUXZWRSKQLD-JLTOFOAXSA-N 0 0 461.946 4.741 20 0 JJADRN CCCCNC(=O)OC[C@H]1CCCCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089946 1067551711 /nfs/dbraw/zinc/55/17/11/1067551711.db2.gz KCDLBWRRMPVCBN-LJQANCHMSA-N 0 0 450.377 4.985 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2C)CCS1 ZINC001546113804 1067551906 /nfs/dbraw/zinc/55/19/06/1067551906.db2.gz LOFQNZBYKQWQBZ-UHFFFAOYSA-N 0 0 482.629 4.728 20 0 JJADRN CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC001460091456 1067552201 /nfs/dbraw/zinc/55/22/01/1067552201.db2.gz CJMBVEUZSUTEQZ-UHFFFAOYSA-N 0 0 452.549 4.573 20 0 JJADRN Cc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)n1 ZINC001460094784 1067553169 /nfs/dbraw/zinc/55/31/69/1067553169.db2.gz RBPQBCCJKDDYAM-QGZVFWFLSA-N 0 0 453.365 4.871 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2snnc2C)CCS1 ZINC001546113848 1067553840 /nfs/dbraw/zinc/55/38/40/1067553840.db2.gz MRBDJJYUZOGGDT-MRXNPFEDSA-N 0 0 476.647 4.877 20 0 JJADRN Cc1ccc(SCC(=O)Nc2nc(C(F)(F)F)c(I)s2)cc1 ZINC001460099284 1067554825 /nfs/dbraw/zinc/55/48/25/1067554825.db2.gz LJVFVXPABMWQCM-UHFFFAOYSA-N 0 0 458.268 4.806 20 0 JJADRN Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1S(=O)(=O)NC1CCCC1 ZINC001460104261 1067555859 /nfs/dbraw/zinc/55/58/59/1067555859.db2.gz HTVYSXFMPUCDTI-VWNXMTODSA-N 0 0 454.636 4.920 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)ccc1Br ZINC001460106668 1067556222 /nfs/dbraw/zinc/55/62/22/1067556222.db2.gz ROJARXRNIGKEGC-QZTJIDSGSA-N 0 0 450.398 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC001460105931 1067556321 /nfs/dbraw/zinc/55/63/21/1067556321.db2.gz NFQFHBYEUUHSIU-QFIPXVFZSA-N 0 0 458.578 4.657 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)n1 ZINC001460108267 1067556606 /nfs/dbraw/zinc/55/66/06/1067556606.db2.gz GYPPAHWSQKOHSS-PWSUYJOCSA-N 0 0 460.419 4.535 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)CCS1 ZINC001546113932 1067556616 /nfs/dbraw/zinc/55/66/16/1067556616.db2.gz OZWNVEURTRWZQQ-UHFFFAOYSA-N 0 0 452.466 4.893 20 0 JJADRN O=C(c1nn(-c2ccccc2)cc1Br)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460124296 1067559639 /nfs/dbraw/zinc/55/96/39/1067559639.db2.gz OGJBBMJEGMNNSE-RISCZKNCSA-N 0 0 470.211 4.980 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001460124188 1067559677 /nfs/dbraw/zinc/55/96/77/1067559677.db2.gz NGTJIRZGPRNAEB-MFKMUULPSA-N 0 0 462.184 4.566 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001460122783 1067559754 /nfs/dbraw/zinc/55/97/54/1067559754.db2.gz LRPHWCBLDYFHTR-ORBZYBPHSA-N 0 0 457.279 4.734 20 0 JJADRN O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001460123960 1067559816 /nfs/dbraw/zinc/55/98/16/1067559816.db2.gz YGRLJLPTLRTFBF-NRFANRHFSA-N 0 0 453.482 4.539 20 0 JJADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc1 ZINC001460124571 1067560032 /nfs/dbraw/zinc/56/00/32/1067560032.db2.gz QQSOLDSXXZLAOO-BJJXKVORSA-N 0 0 456.452 4.787 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN[C@@H]3C[C@@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128747 1067560921 /nfs/dbraw/zinc/56/09/21/1067560921.db2.gz YIAIUCGPUCNFIR-NHCUHLMSSA-N 0 0 450.608 4.826 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001460128761 1067560988 /nfs/dbraw/zinc/56/09/88/1067560988.db2.gz ACCUDRCSZPOVCB-HXUWFJFHSA-N 0 0 450.362 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3ccc4c(Br)cnn4c3)cc2C1 ZINC001460133601 1067561595 /nfs/dbraw/zinc/56/15/95/1067561595.db2.gz SDIABDRXKGSEEN-UHFFFAOYSA-N 0 0 457.328 4.600 20 0 JJADRN CC(C)Oc1cccc(CNC(=O)CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001460135934 1067561965 /nfs/dbraw/zinc/56/19/65/1067561965.db2.gz DKYHFPFKBUHCNS-VGSWGCGISA-N 0 0 450.501 4.571 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N(CC)C[C@@H](C)OC)sc2c1CCCC2 ZINC001460137200 1067562338 /nfs/dbraw/zinc/56/23/38/1067562338.db2.gz GFLCURKXHBFSKJ-VGOFRKELSA-N 0 0 458.624 4.840 20 0 JJADRN Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(Cl)c4)C[C@H]3C)cs2)cc1 ZINC001460137748 1067562714 /nfs/dbraw/zinc/56/27/14/1067562714.db2.gz HTLRHSCDVOMJNQ-GOSISDBHSA-N 0 0 455.027 4.997 20 0 JJADRN C[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460138365 1067563198 /nfs/dbraw/zinc/56/31/98/1067563198.db2.gz QEXZKGJNPNCXDB-UGSOOPFHSA-N 0 0 457.290 4.868 20 0 JJADRN CCCCCc1nnc(NC(=O)CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)s1 ZINC001460141123 1067563457 /nfs/dbraw/zinc/56/34/57/1067563457.db2.gz HKJWDWIEZALKDN-YOEHRIQHSA-N 0 0 456.534 4.690 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)CCS1 ZINC001546114157 1067563521 /nfs/dbraw/zinc/56/35/21/1067563521.db2.gz XEJXMFAQCNCEKI-SFHVURJKSA-N 0 0 491.677 4.832 20 0 JJADRN CCc1nc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)co1 ZINC001460141329 1067563558 /nfs/dbraw/zinc/56/35/58/1067563558.db2.gz OVXBDUBRPHLAGI-UHFFFAOYSA-N 0 0 451.324 4.782 20 0 JJADRN CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001460143396 1067563792 /nfs/dbraw/zinc/56/37/92/1067563792.db2.gz HKWHSPHYIYIWKX-GDBMZVCRSA-N 0 0 459.793 4.545 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)Nc3ncccc3CNC(=O)OC(C)(C)C)nc2)c1 ZINC001460144748 1067564237 /nfs/dbraw/zinc/56/42/37/1067564237.db2.gz NCJNMMSKUCNHCU-UHFFFAOYSA-N 0 0 450.495 4.555 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001460148499 1067565240 /nfs/dbraw/zinc/56/52/40/1067565240.db2.gz FLVVXIRFZHYMPD-VQIMIIECSA-N 0 0 453.421 4.924 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc(OC)c1C(C)C ZINC001460148708 1067565383 /nfs/dbraw/zinc/56/53/83/1067565383.db2.gz CUXMYQDHUNLJHH-KRWDZBQOSA-N 0 0 455.505 4.714 20 0 JJADRN CN(C)C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 ZINC001460153120 1067566027 /nfs/dbraw/zinc/56/60/27/1067566027.db2.gz SWKXAGNVIFKMKA-UHFFFAOYSA-N 0 0 458.312 4.967 20 0 JJADRN COc1cccc(-n2cc(NC(=O)C3(c4ccccc4Br)CCCCC3)nn2)c1 ZINC001460153809 1067566117 /nfs/dbraw/zinc/56/61/17/1067566117.db2.gz AGFBZQHZVRSEOF-UHFFFAOYSA-N 0 0 455.356 4.879 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)n2)cc1 ZINC001460159635 1067567111 /nfs/dbraw/zinc/56/71/11/1067567111.db2.gz UGWAKRPABCWUCR-XCLFUZPHSA-N 0 0 457.518 4.578 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@H](C)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)n2)cc1 ZINC001460159629 1067567307 /nfs/dbraw/zinc/56/73/07/1067567307.db2.gz UGWAKRPABCWUCR-RBZFPXEDSA-N 0 0 457.518 4.578 20 0 JJADRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001460161104 1067567537 /nfs/dbraw/zinc/56/75/37/1067567537.db2.gz UXZUEPRAOTWFRA-NRFANRHFSA-N 0 0 450.888 4.877 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2nnc3ccc(Br)cn32)cc1OCC ZINC001460160191 1067567576 /nfs/dbraw/zinc/56/75/76/1067567576.db2.gz IOQPWVYALZPQCJ-UHFFFAOYSA-N 0 0 453.724 4.585 20 0 JJADRN COc1cc(OC)c(C[C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(OC)c1 ZINC001460165102 1067567900 /nfs/dbraw/zinc/56/79/00/1067567900.db2.gz KTGQGIRPFTZNEL-INIZCTEOSA-N 0 0 458.555 4.729 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC001460166699 1067568334 /nfs/dbraw/zinc/56/83/34/1067568334.db2.gz PCZMBRBLJQJTRK-OAHLLOKOSA-N 0 0 458.942 4.701 20 0 JJADRN COc1cc(OC)c(C[C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 ZINC001460166696 1067568431 /nfs/dbraw/zinc/56/84/31/1067568431.db2.gz PCZMBRBLJQJTRK-HNNXBMFYSA-N 0 0 458.942 4.701 20 0 JJADRN COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c(OC)c1 ZINC001460169411 1067569141 /nfs/dbraw/zinc/56/91/41/1067569141.db2.gz XBTPVUUWUVMBGY-OAHLLOKOSA-N 0 0 456.926 4.914 20 0 JJADRN CN(C(=O)CN1CCC[C@H]1COc1ccccc1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001460169752 1067569148 /nfs/dbraw/zinc/56/91/48/1067569148.db2.gz CZUOGYPQLAEJPX-FNZWTVRRSA-N 0 0 454.998 4.680 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CCOc1cc(Cl)cc(Cl)c1 ZINC001460174864 1067571084 /nfs/dbraw/zinc/57/10/84/1067571084.db2.gz YLXMOIRSBUERPC-SFHVURJKSA-N 0 0 459.167 4.735 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC001460180193 1067572424 /nfs/dbraw/zinc/57/24/24/1067572424.db2.gz LBYITBYKEXLUHL-MRXNPFEDSA-N 0 0 456.377 4.502 20 0 JJADRN CCC[C@@]1(CO)CCN(CC(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)C1 ZINC001460185747 1067574309 /nfs/dbraw/zinc/57/43/09/1067574309.db2.gz OQFKUYCNDUHECX-AREMUKBSSA-N 0 0 451.636 4.931 20 0 JJADRN CN(CCOc1c(Br)cccc1Br)CC(F)(F)Br ZINC001460195498 1067576455 /nfs/dbraw/zinc/57/64/55/1067576455.db2.gz KKMZLESRPXEJLE-UHFFFAOYSA-N 0 0 451.931 4.510 20 0 JJADRN COc1ccc(NC(=O)CCN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197371 1067576836 /nfs/dbraw/zinc/57/68/36/1067576836.db2.gz PUFNKCOUZDPGFR-IBGZPJMESA-N 0 0 458.864 4.649 20 0 JJADRN CC(C)Oc1ccccc1CN(CCN1CCOCC1)Cc1sccc1Br ZINC001460199258 1067577339 /nfs/dbraw/zinc/57/73/39/1067577339.db2.gz RIGXKAFVWUGINV-UHFFFAOYSA-N 0 0 453.446 4.632 20 0 JJADRN CCCCn1c(CN(C)c2ccccc2C(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001460200181 1067577653 /nfs/dbraw/zinc/57/76/53/1067577653.db2.gz YYHRXBTVAZGZGX-UHFFFAOYSA-N 0 0 459.594 4.907 20 0 JJADRN CC[C@@H](NC(=O)CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 ZINC001460199445 1067577710 /nfs/dbraw/zinc/57/77/10/1067577710.db2.gz YCTHVEARCVONGY-UXHICEINSA-N 0 0 456.892 4.879 20 0 JJADRN Cn1cc(Br)c(CNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)n1 ZINC001460204156 1067578187 /nfs/dbraw/zinc/57/81/87/1067578187.db2.gz SADNSHIUUKTCFC-UHFFFAOYSA-N 0 0 455.331 4.719 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)c1ccc(I)cc1Cl ZINC001460203851 1067578292 /nfs/dbraw/zinc/57/82/92/1067578292.db2.gz KWOOVXWZGUIJRW-UHFFFAOYSA-N 0 0 454.066 4.546 20 0 JJADRN O=C(NCCOc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001460205428 1067578554 /nfs/dbraw/zinc/57/85/54/1067578554.db2.gz SKUPQGQEFSRNDU-SFHVURJKSA-N 0 0 454.929 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)CC[C@H]1c1ccc(F)cc1 ZINC001460207096 1067578846 /nfs/dbraw/zinc/57/88/46/1067578846.db2.gz IDYQIFHSRPGPFV-GHTZIAJQSA-N 0 0 470.520 4.898 20 0 JJADRN CCc1ccc(N(CC2CC2)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC001460206727 1067579020 /nfs/dbraw/zinc/57/90/20/1067579020.db2.gz NZRZGCZSQPWQCR-BGYRXZFFSA-N 0 0 454.636 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1 ZINC001460207310 1067579326 /nfs/dbraw/zinc/57/93/26/1067579326.db2.gz DRTXLNFPAFVLNI-RBBKRZOGSA-N 0 0 459.631 4.928 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209028 1067579768 /nfs/dbraw/zinc/57/97/68/1067579768.db2.gz YDRDMTRNTCEAEV-IEBWSBKVSA-N 0 0 458.628 4.540 20 0 JJADRN COc1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)c(Br)c1 ZINC001460209823 1067580105 /nfs/dbraw/zinc/58/01/05/1067580105.db2.gz GBFILWSLNOBHRA-UHFFFAOYSA-N 0 0 451.118 4.658 20 0 JJADRN Cc1sc(=O)n(CCC(=O)NCC2(c3ccccc3Br)CCCCC2)c1C ZINC001460209656 1067580125 /nfs/dbraw/zinc/58/01/25/1067580125.db2.gz ZHSBHHBQVFZYQN-UHFFFAOYSA-N 0 0 451.430 4.698 20 0 JJADRN Cc1sc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)nc1C1CCCCC1 ZINC001460213020 1067580709 /nfs/dbraw/zinc/58/07/09/1067580709.db2.gz BYPYJJWLKNITAH-UHFFFAOYSA-N 0 0 453.605 4.920 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2cnc(C)s2)nc1-c1ccc(Br)cc1 ZINC001460216835 1067581838 /nfs/dbraw/zinc/58/18/38/1067581838.db2.gz LUADVOZECNNZDE-UHFFFAOYSA-N 0 0 452.355 4.767 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@H]2C)CCS1 ZINC001546114755 1067582073 /nfs/dbraw/zinc/58/20/73/1067582073.db2.gz FIWSQTFSGMUKEQ-IQGLISFBSA-N 0 0 474.671 4.625 20 0 JJADRN CO[C@](C)(CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1ccccc1 ZINC001460219484 1067582381 /nfs/dbraw/zinc/58/23/81/1067582381.db2.gz XMSIUPYCEGTUOQ-JOCHJYFZSA-N 0 0 459.340 4.616 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC001460218140 1067582443 /nfs/dbraw/zinc/58/24/43/1067582443.db2.gz XKSGZKWPXPMCPR-HSZRJFAPSA-N 0 0 455.002 4.985 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460219675 1067582482 /nfs/dbraw/zinc/58/24/82/1067582482.db2.gz FOQRGCPIDZCVIC-CRAIPNDOSA-N 0 0 456.505 4.737 20 0 JJADRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001460229984 1067585086 /nfs/dbraw/zinc/58/50/86/1067585086.db2.gz LPMVSTFWFOJPQR-INIZCTEOSA-N 0 0 451.723 4.786 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H]2OC)CCS1 ZINC001546114860 1067585410 /nfs/dbraw/zinc/58/54/10/1067585410.db2.gz IRGLDXSRAZBPAO-XMSQKQJNSA-N 0 0 474.671 4.889 20 0 JJADRN CN(C)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1F ZINC001460232429 1067585695 /nfs/dbraw/zinc/58/56/95/1067585695.db2.gz OQFOAUOKJRSQIG-TZIWHRDSSA-N 0 0 473.564 4.801 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)F)CCS1 ZINC001546114896 1067585716 /nfs/dbraw/zinc/58/57/16/1067585716.db2.gz KAWMBIWOKBRXDT-UHFFFAOYSA-N 0 0 492.423 4.745 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](F)COC)CCS1 ZINC001546114948 1067585889 /nfs/dbraw/zinc/58/58/89/1067585889.db2.gz LZGDVYNLBXPAOE-INIZCTEOSA-N 0 0 457.015 4.704 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2NC(=O)CC2(C)C)CCS1 ZINC001546114960 1067586155 /nfs/dbraw/zinc/58/61/55/1067586155.db2.gz MHEQDJIHHFLMBY-SFHVURJKSA-N 0 0 493.624 4.573 20 0 JJADRN C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460234991 1067586544 /nfs/dbraw/zinc/58/65/44/1067586544.db2.gz XYIUDRFLQHFFIC-KKLQWCBXSA-N 0 0 456.558 4.750 20 0 JJADRN CC(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001460234986 1067586657 /nfs/dbraw/zinc/58/66/57/1067586657.db2.gz XTIQTFOMLGYJCA-FYYLOGMGSA-N 0 0 454.542 4.799 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCCOC)CCS1 ZINC001546115014 1067587276 /nfs/dbraw/zinc/58/72/76/1067587276.db2.gz ORXIIFNKSQFTDV-UHFFFAOYSA-N 0 0 454.644 4.874 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@@H](C(=O)N(C)C)C3)n2)cc1 ZINC001460237349 1067587422 /nfs/dbraw/zinc/58/74/22/1067587422.db2.gz LPGKDERWDZGESI-GHTZIAJQSA-N 0 0 456.656 4.670 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)C2)cc1 ZINC001460243246 1067589548 /nfs/dbraw/zinc/58/95/48/1067589548.db2.gz VBIXGOLYUDSUTC-GMAHTHKFSA-N 0 0 456.627 4.904 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(I)c(F)c3)C2)cc1 ZINC001460244263 1067589768 /nfs/dbraw/zinc/58/97/68/1067589768.db2.gz YRRDZZTVQJKACB-OAHLLOKOSA-N 0 0 453.295 4.534 20 0 JJADRN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245119 1067589779 /nfs/dbraw/zinc/58/97/79/1067589779.db2.gz ZLOCTPHFPQNVGA-GXBNZEJLSA-N 0 0 481.612 4.875 20 0 JJADRN Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(C)cc1I ZINC001460249464 1067591058 /nfs/dbraw/zinc/59/10/58/1067591058.db2.gz UBJALKRTYOOALJ-UHFFFAOYSA-N 0 0 458.384 4.739 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)CCS1 ZINC001546115074 1067591965 /nfs/dbraw/zinc/59/19/65/1067591965.db2.gz QRPMGYIYGBGTMJ-UHFFFAOYSA-N 0 0 467.639 4.826 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCOC2)CCS1 ZINC001546115077 1067592194 /nfs/dbraw/zinc/59/21/94/1067592194.db2.gz QSFWFWMRFHBDQV-CQSZACIVSA-N 0 0 471.490 4.918 20 0 JJADRN Cc1ccnc2ccc(C(=O)N3CC[C@H](Cc4cccc(I)c4)C3)cc12 ZINC001460256699 1067592277 /nfs/dbraw/zinc/59/22/77/1067592277.db2.gz ZSQXNJJIHGMGOK-QGZVFWFLSA-N 0 0 456.327 4.853 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)CCS1 ZINC001546115090 1067592496 /nfs/dbraw/zinc/59/24/96/1067592496.db2.gz RFXULKKCSVLIJV-SFHVURJKSA-N 0 0 492.711 4.979 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC001460260800 1067592979 /nfs/dbraw/zinc/59/29/79/1067592979.db2.gz ALUJGNGAGUORIH-OAHLLOKOSA-N 0 0 458.921 4.985 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC001460264594 1067593509 /nfs/dbraw/zinc/59/35/09/1067593509.db2.gz OJIKBUJEYLDBAB-OAHLLOKOSA-N 0 0 450.366 4.888 20 0 JJADRN CC[C@](C)(CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1)OC ZINC001460268687 1067593894 /nfs/dbraw/zinc/59/38/94/1067593894.db2.gz LYYRHTTUDPOWGD-HHHXNRCGSA-N 0 0 458.562 4.949 20 0 JJADRN CC[C@H](C)n1c2ccc(NC(=O)c3cn(-c4cccc(OC)c4)nn3)cc2nc1C(F)(F)F ZINC001460271574 1067594533 /nfs/dbraw/zinc/59/45/33/1067594533.db2.gz SOESVGSTKJDGKT-ZDUSSCGKSA-N 0 0 458.444 4.868 20 0 JJADRN COc1ccccc1-c1nnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 ZINC001460270450 1067594676 /nfs/dbraw/zinc/59/46/76/1067594676.db2.gz VIZYRHDVJZCNOJ-UHFFFAOYSA-N 0 0 453.955 4.851 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)OCc1ccc(OC(F)F)c(Br)c1)C2 ZINC001460272894 1067595018 /nfs/dbraw/zinc/59/50/18/1067595018.db2.gz WBMUJTPIBAJLFY-FQEVSTJZSA-N 0 0 455.251 4.574 20 0 JJADRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H]1Cc1ccccc1Br ZINC001460273585 1067595407 /nfs/dbraw/zinc/59/54/07/1067595407.db2.gz 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CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC001460283965 1067598235 /nfs/dbraw/zinc/59/82/35/1067598235.db2.gz BSIVMHSZZJYUGA-UHFFFAOYSA-N 0 0 453.564 4.548 20 0 JJADRN COc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc(OC)c1OCc1ccccc1 ZINC001460289100 1067599566 /nfs/dbraw/zinc/59/95/66/1067599566.db2.gz ZQJNINPRBSAKSO-SFHVURJKSA-N 0 0 452.454 4.773 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1c(C)cccc1Cl ZINC001460291280 1067599891 /nfs/dbraw/zinc/59/98/91/1067599891.db2.gz URTMAIMVLKVKFQ-UHFFFAOYSA-N 0 0 451.972 4.579 20 0 JJADRN Cc1nn(C)c(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)c1Br ZINC001460302172 1067602453 /nfs/dbraw/zinc/60/24/53/1067602453.db2.gz JWOWJWJMZDFLIA-UHFFFAOYSA-N 0 0 458.356 4.520 20 0 JJADRN COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001460301646 1067602467 /nfs/dbraw/zinc/60/24/67/1067602467.db2.gz ZHTMDVFBEGLVPO-UHFFFAOYSA-N 0 0 458.795 4.664 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)CN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1cccs1 ZINC001460302933 1067602861 /nfs/dbraw/zinc/60/28/61/1067602861.db2.gz UNOPBZNRVYAJAZ-CYFREDJKSA-N 0 0 459.631 4.509 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC001460302981 1067602914 /nfs/dbraw/zinc/60/29/14/1067602914.db2.gz VLGUFDOEAMZTNQ-JQVVWYNYSA-N 0 0 458.961 4.642 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)Nc2cc(Cl)ccc2I)c1 ZINC001460306462 1067603810 /nfs/dbraw/zinc/60/38/10/1067603810.db2.gz BRRTUPARNQOTFH-UHFFFAOYSA-N 0 0 457.695 4.945 20 0 JJADRN CC[C@H]1[C@@H](C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)CCN1C(=O)OC(C)(C)C ZINC001460309274 1067604587 /nfs/dbraw/zinc/60/45/87/1067604587.db2.gz WLXGAJKPIYQAIA-VXKWHMMOSA-N 0 0 450.583 4.618 20 0 JJADRN Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)ccc1-c1cnn(C)c1 ZINC001460308828 1067604683 /nfs/dbraw/zinc/60/46/83/1067604683.db2.gz UJGJGOSXKSHWRE-WEYGHZABSA-N 0 0 453.587 4.545 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(OC)CCOC2)CCS1 ZINC001546115125 1067605087 /nfs/dbraw/zinc/60/50/87/1067605087.db2.gz SXRJMFKLLHSJSJ-JOCHJYFZSA-N 0 0 481.062 4.525 20 0 JJADRN COC(=O)[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001460311616 1067605136 /nfs/dbraw/zinc/60/51/36/1067605136.db2.gz AAFQEVHUMYTVTH-JBRSBNLGSA-N 0 0 454.998 4.576 20 0 JJADRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001460314730 1067605767 /nfs/dbraw/zinc/60/57/67/1067605767.db2.gz WCRPVJWSMFFXAN-LVXARBLLSA-N 0 0 457.014 4.731 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CCN(CC(=O)Nc1cccc(Oc3ccccc3)c1)CC2 ZINC001460315358 1067605868 /nfs/dbraw/zinc/60/58/68/1067605868.db2.gz QTKPZSIQZKGRLF-UHFFFAOYSA-N 0 0 451.567 4.750 20 0 JJADRN Cc1ccc(F)c(Br)c1NC(=O)/C=C/c1ccc(I)o1 ZINC001460319651 1067606710 /nfs/dbraw/zinc/60/67/10/1067606710.db2.gz HPTFTZQYYYUARF-QPJJXVBHSA-N 0 0 450.045 4.746 20 0 JJADRN Cc1cc(C(=O)OCc2cn(CC(F)(F)c3ccccc3)nn2)cc(C(=O)OC(C)(C)C)c1 ZINC001460321955 1067607582 /nfs/dbraw/zinc/60/75/82/1067607582.db2.gz WTEDVGQLLSUFSK-UHFFFAOYSA-N 0 0 457.477 4.691 20 0 JJADRN COc1cccc(/C=C\c2ccc(OC(=O)c3cc(Br)c(C)n(C)c3=O)cc2)c1 ZINC001460321487 1067607595 /nfs/dbraw/zinc/60/75/95/1067607595.db2.gz HQJLLVINXAZSJK-FPLPWBNLSA-N 0 0 454.320 4.854 20 0 JJADRN O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001460321333 1067607655 /nfs/dbraw/zinc/60/76/55/1067607655.db2.gz QWFVOZQIFJOGTF-MNOULKQQSA-N 0 0 455.938 4.707 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1)[C@@H]1C[C@@H]1C ZINC001460322231 1067608111 /nfs/dbraw/zinc/60/81/11/1067608111.db2.gz KXAQFBNPRPBSNN-IFXJQAMLSA-N 0 0 459.999 4.654 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1)[C@@H]1C[C@@H]1C ZINC001460326076 1067608758 /nfs/dbraw/zinc/60/87/58/1067608758.db2.gz XFXJRZWGNZSWRZ-LHSJRXKWSA-N 0 0 453.340 4.648 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001460327026 1067608843 /nfs/dbraw/zinc/60/88/43/1067608843.db2.gz SVSMZSCSXBISNU-KKSFZXQISA-N 0 0 451.473 4.634 20 0 JJADRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC001460328208 1067609398 /nfs/dbraw/zinc/60/93/98/1067609398.db2.gz XEJAGBLLMNNAAL-MHECFPHRSA-N 0 0 459.521 4.560 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)NC(CF)CF ZINC001460328533 1067609873 /nfs/dbraw/zinc/60/98/73/1067609873.db2.gz UNTFNRFMGITRAX-UHFFFAOYSA-N 0 0 457.333 4.757 20 0 JJADRN CC(C)(C)OC(=O)C1(NCC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CCCCCC1 ZINC001460334055 1067610525 /nfs/dbraw/zinc/61/05/25/1067610525.db2.gz CZPYQVZXTOLIRI-UHFFFAOYSA-N 0 0 454.493 4.545 20 0 JJADRN COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1OC(F)F ZINC001460341127 1067611925 /nfs/dbraw/zinc/61/19/25/1067611925.db2.gz BIQRHEUYPKRCNK-DJJJIMSYSA-N 0 0 459.411 4.847 20 0 JJADRN COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1OC(F)F ZINC001460341134 1067611936 /nfs/dbraw/zinc/61/19/36/1067611936.db2.gz BIQRHEUYPKRCNK-YJYMSZOUSA-N 0 0 459.411 4.847 20 0 JJADRN Cc1ccc2cc(C(=O)NC3(Cc4ccc(F)cc4Br)CCOCC3)ccc2n1 ZINC001460341997 1067612445 /nfs/dbraw/zinc/61/24/45/1067612445.db2.gz NGPMNSRWDZLGLZ-UHFFFAOYSA-N 0 0 457.343 4.967 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460342578 1067612523 /nfs/dbraw/zinc/61/25/23/1067612523.db2.gz NRDQCATYPNFBOH-FQEVSTJZSA-N 0 0 455.555 4.914 20 0 JJADRN O=C(NCc1c(Cl)cccc1-n1ccnc1)c1cc(Br)cc(N2CCCC2)c1 ZINC001460342638 1067612557 /nfs/dbraw/zinc/61/25/57/1067612557.db2.gz GWAMGOOADDXELK-UHFFFAOYSA-N 0 0 459.775 4.818 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)NC/C=C/c3ccc(Br)cc3)c(=O)oc2c1 ZINC001460344258 1067612878 /nfs/dbraw/zinc/61/28/78/1067612878.db2.gz QSHQWSYNQYOGNI-AATRIKPKSA-N 0 0 455.352 4.845 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)nc1 ZINC001460349543 1067614137 /nfs/dbraw/zinc/61/41/37/1067614137.db2.gz DUQKEZJPNZKOFG-UHFFFAOYSA-N 0 0 455.294 4.976 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001460351260 1067614456 /nfs/dbraw/zinc/61/44/56/1067614456.db2.gz SFYVBHQGDDSUFA-CXAGYDPISA-N 0 0 451.470 4.738 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)nc1 ZINC001460350472 1067614469 /nfs/dbraw/zinc/61/44/69/1067614469.db2.gz TZEDAXKZMOXAPG-LJQANCHMSA-N 0 0 451.331 4.551 20 0 JJADRN O=C(NC[C@H]1CCCCC1(F)F)c1cccc(Br)c1I ZINC001460350851 1067614488 /nfs/dbraw/zinc/61/44/88/1067614488.db2.gz ZDGMGNGNTNMOQZ-SECBINFHSA-N 0 0 458.084 4.609 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc2nnc(C(F)F)n2c1 ZINC001460352774 1067615014 /nfs/dbraw/zinc/61/50/14/1067615014.db2.gz ZYSFRSXQWWIZIS-UHFFFAOYSA-N 0 0 455.690 4.544 20 0 JJADRN CC(C)(CNC(=O)c1cc2c(cc1Cl)NC(=O)C2)c1ccc(Br)cc1Cl ZINC001460352329 1067615059 /nfs/dbraw/zinc/61/50/59/1067615059.db2.gz XJQSDZXIMVPVSP-UHFFFAOYSA-N 0 0 456.167 4.958 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc3c(Br)cccc3cn2)c2ccccc2n1 ZINC001460353673 1067615284 /nfs/dbraw/zinc/61/52/84/1067615284.db2.gz BRCCWKHTQVWWHL-UHFFFAOYSA-N 0 0 450.292 4.975 20 0 JJADRN O=C(CN1CCN(c2ccc(Br)cc2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC001460355612 1067615806 /nfs/dbraw/zinc/61/58/06/1067615806.db2.gz IYVZPVRZUGEOHM-XMMPIXPASA-N 0 0 456.428 4.619 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001460355153 1067615811 /nfs/dbraw/zinc/61/58/11/1067615811.db2.gz ASHPTWLDTINPIS-QFIPXVFZSA-N 0 0 456.560 4.571 20 0 JJADRN O=C(CN1CCN(c2ccc(Br)cc2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC001460355609 1067615823 /nfs/dbraw/zinc/61/58/23/1067615823.db2.gz IYVZPVRZUGEOHM-DEOSSOPVSA-N 0 0 456.428 4.619 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)c2ccccc2n1 ZINC001460355545 1067615845 /nfs/dbraw/zinc/61/58/45/1067615845.db2.gz UHMZWSDSFMNKNF-UHFFFAOYSA-N 0 0 456.289 4.551 20 0 JJADRN COC(=O)c1ccc(OCCN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)c(Cl)c1 ZINC001460365630 1067619014 /nfs/dbraw/zinc/61/90/14/1067619014.db2.gz WPEJVZIFXJNOPR-VBKZILBWSA-N 0 0 468.775 4.730 20 0 JJADRN CCCc1ccc(C[N@@H+]2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001460369496 1067619983 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SWBVFFDTABJNKH-HNNXBMFYSA-N 0 0 453.955 4.604 20 0 JJADRN CC(C)n1c2ccc(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)cc2nc1C(F)(F)F ZINC001460384852 1067623328 /nfs/dbraw/zinc/62/33/28/1067623328.db2.gz XZPKCZVDPGBVSI-GJZGRUSLSA-N 0 0 452.521 4.744 20 0 JJADRN CCC1(CC)CN(c2nnc(C3CC3)n2CCC2CCN(CC(F)(F)F)CC2)CCS1 ZINC001546115939 1067623806 /nfs/dbraw/zinc/62/38/06/1067623806.db2.gz AUQVHQXRAGAUQM-UHFFFAOYSA-N 0 0 459.626 4.932 20 0 JJADRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C(C)(C)C)c1 ZINC001460386490 1067623831 /nfs/dbraw/zinc/62/38/31/1067623831.db2.gz CNFSKWRPBRGLRY-UHFFFAOYSA-N 0 0 451.032 4.963 20 0 JJADRN O=C([N-][C@H]1C[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460391536 1067624911 /nfs/dbraw/zinc/62/49/11/1067624911.db2.gz OEWIQCMCPLGATB-MTNWZPEHSA-N 0 0 478.530 4.751 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC001460395052 1067626001 /nfs/dbraw/zinc/62/60/01/1067626001.db2.gz DAAWCLCJUANZCF-SFHVURJKSA-N 0 0 451.158 4.687 20 0 JJADRN O=C(COc1ccc(F)cc1Br)OCc1cc(Br)cnc1Cl ZINC001460405337 1067628148 /nfs/dbraw/zinc/62/81/48/1067628148.db2.gz VTRLRIXMUOFZKR-UHFFFAOYSA-N 0 0 453.489 4.521 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2cccc(Cl)c2)CCS1 ZINC001546116040 1067628910 /nfs/dbraw/zinc/62/89/10/1067628910.db2.gz FHEPJUODFPLIRZ-JOCHJYFZSA-N 0 0 460.047 4.946 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)O[C@H](c3cccc(Br)n3)C(F)(F)F)c2)cn1 ZINC001460408102 1067629226 /nfs/dbraw/zinc/62/92/26/1067629226.db2.gz WZXTZPSFGICZBJ-MRXNPFEDSA-N 0 0 458.209 4.844 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CCS1 ZINC001546116138 1067630808 /nfs/dbraw/zinc/63/08/08/1067630808.db2.gz IUAHPTWBMMWVDK-AZUAARDMSA-N 0 0 458.676 4.688 20 0 JJADRN COc1ccc(CN(C)CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)cn1 ZINC001460421169 1067632254 /nfs/dbraw/zinc/63/22/54/1067632254.db2.gz VEWGPIWFNBWTEV-UHFFFAOYSA-N 0 0 455.562 4.630 20 0 JJADRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC001460434764 1067634435 /nfs/dbraw/zinc/63/44/35/1067634435.db2.gz GLAPXIOQVORUEO-MRXNPFEDSA-N 0 0 450.926 4.943 20 0 JJADRN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC001460438643 1067635457 /nfs/dbraw/zinc/63/54/57/1067635457.db2.gz AABYEBULCTZKQZ-IBGZPJMESA-N 0 0 458.883 4.966 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)c1 ZINC001460443339 1067635737 /nfs/dbraw/zinc/63/57/37/1067635737.db2.gz CMEZTKDATSZWTB-DEOSSOPVSA-N 0 0 456.030 4.853 20 0 JJADRN O=C(N1CCC[C@@H](C2CCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1)C(F)(F)F ZINC001460444943 1067636143 /nfs/dbraw/zinc/63/61/43/1067636143.db2.gz JCKWEKGNSCBZAU-QGZVFWFLSA-N 0 0 454.924 4.539 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2Br)nn1 ZINC001460445008 1067636172 /nfs/dbraw/zinc/63/61/72/1067636172.db2.gz BXWFJBJWSXNZLO-LJQANCHMSA-N 0 0 453.384 4.830 20 0 JJADRN Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cccc1-c1ncco1 ZINC001460452467 1067637027 /nfs/dbraw/zinc/63/70/27/1067637027.db2.gz XXMXSZAXJLCRDC-UHFFFAOYSA-N 0 0 459.955 4.730 20 0 JJADRN O=C(CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460455916 1067637570 /nfs/dbraw/zinc/63/75/70/1067637570.db2.gz NYYJGRXSQUVOBU-DNVCBOLYSA-N 0 0 469.435 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCN2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC001460460282 1067638146 /nfs/dbraw/zinc/63/81/46/1067638146.db2.gz ZOEVOEJSIIFYDE-FQEVSTJZSA-N 0 0 453.421 4.860 20 0 JJADRN O=C([N-][C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638505 /nfs/dbraw/zinc/63/85/05/1067638505.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N 0 0 455.480 4.911 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)n2)cc1C ZINC001460461523 1067638545 /nfs/dbraw/zinc/63/85/45/1067638545.db2.gz XPUCWOONISETOP-DYESRHJHSA-N 0 0 461.509 4.890 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2OC)CCS1 ZINC001546116439 1067639603 /nfs/dbraw/zinc/63/96/03/1067639603.db2.gz UWGBKZXBVQZPCC-UHFFFAOYSA-N 0 0 453.612 4.518 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc[nH]3)n2Cc2cc(COC(C)(C)C)on2)CCS1 ZINC001546116484 1067640367 /nfs/dbraw/zinc/64/03/67/1067640367.db2.gz WXRSXACQOGKUST-UHFFFAOYSA-N 0 0 458.632 4.737 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472928 1067640392 /nfs/dbraw/zinc/64/03/92/1067640392.db2.gz RBTYJWZSIKGANP-LEWJYISDSA-N 0 0 451.394 4.769 20 0 JJADRN O=C(NCc1cccc(N2CCOCC2)c1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001460476650 1067641399 /nfs/dbraw/zinc/64/13/99/1067641399.db2.gz KWUFTRRLLSQFNE-XMMPIXPASA-N 0 0 454.929 4.752 20 0 JJADRN O=C(CSCc1coc(-c2ccccc2)n1)NCCc1cnc(SC2CCCC2)nc1 ZINC001460479219 1067642335 /nfs/dbraw/zinc/64/23/35/1067642335.db2.gz OJSBQMKAWVZFDD-UHFFFAOYSA-N 0 0 454.621 4.758 20 0 JJADRN CC[C@H]1CC[C@H](C(=O)Nc2ncc(Br)c(C)c2I)CC1 ZINC001460480779 1067642357 /nfs/dbraw/zinc/64/23/57/1067642357.db2.gz UJNWCHXQRYPJGF-XYPYZODXSA-N 0 0 451.146 4.912 20 0 JJADRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC001460481947 1067642819 /nfs/dbraw/zinc/64/28/19/1067642819.db2.gz MPQPOEUWCGYKCJ-UHFFFAOYSA-N 0 0 454.246 4.929 20 0 JJADRN CCOC(=O)c1c(CN2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)occ1C(F)(F)F ZINC001460481818 1067642825 /nfs/dbraw/zinc/64/28/25/1067642825.db2.gz RROYUEWUQOIWHI-IBGZPJMESA-N 0 0 453.457 4.916 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)nc1 ZINC001460482602 1067643178 /nfs/dbraw/zinc/64/31/78/1067643178.db2.gz VWRFXJWKOUDYGJ-UHFFFAOYSA-N 0 0 450.564 4.680 20 0 JJADRN Cc1c(Br)cnc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1I ZINC001460482541 1067643206 /nfs/dbraw/zinc/64/32/06/1067643206.db2.gz ZTYDMKCDMBVTHN-PXAZEXFGSA-N 0 0 471.136 4.889 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC001460486318 1067643568 /nfs/dbraw/zinc/64/35/68/1067643568.db2.gz PXLKHFIMQUOJNA-KRWDZBQOSA-N 0 0 450.297 4.670 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CCCOc1cccc(Br)c1 ZINC001460488628 1067644730 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459.546 4.736 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(Cc1noc(-c3cccc(Cl)c3Cl)n1)C2 ZINC001460513709 1067647233 /nfs/dbraw/zinc/64/72/33/1067647233.db2.gz GFOPZOHILYENMU-YEJXKQKISA-N 0 0 453.370 4.923 20 0 JJADRN O=C(Nc1cccc(C2CCC2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001460518098 1067647466 /nfs/dbraw/zinc/64/74/66/1067647466.db2.gz BEPLJUBECVPJLG-UHFFFAOYSA-N 0 0 450.963 4.786 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NCCSCc3ccnc(Cl)c3)CC2(Cl)Cl)cc1 ZINC001546116813 1067647610 /nfs/dbraw/zinc/64/76/10/1067647610.db2.gz JXYOHSVNKHABRF-LJQANCHMSA-N 0 0 459.826 4.999 20 0 JJADRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC[C@H]1CCCCC(F)(F)C1 ZINC001460518342 1067647616 /nfs/dbraw/zinc/64/76/16/1067647616.db2.gz KDIIMEWAQGFXII-KRWDZBQOSA-N 0 0 457.550 4.753 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522351 1067648521 /nfs/dbraw/zinc/64/85/21/1067648521.db2.gz BYEBZFRAKUOXDL-LLVKDONJSA-N 0 0 453.351 4.666 20 0 JJADRN C[C@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)c2ccc(Br)cc2O1 ZINC001460523463 1067649087 /nfs/dbraw/zinc/64/90/87/1067649087.db2.gz ZOUCFCHEZUPLEA-LBPRGKRZSA-N 0 0 458.183 4.702 20 0 JJADRN O=C(CCNC(=O)Cc1csc(CCC(F)(F)F)n1)Nc1cc(Cl)cc(Cl)c1 ZINC001460523994 1067649152 /nfs/dbraw/zinc/64/91/52/1067649152.db2.gz HWDFYCCASKIQEG-UHFFFAOYSA-N 0 0 454.301 4.632 20 0 JJADRN COc1cc2c(cc1Cl)CN(C(=O)c1cc(I)cc(C)c1C)CC2 ZINC001460525031 1067649585 /nfs/dbraw/zinc/64/95/85/1067649585.db2.gz ZTWBDRGYIHVMOU-UHFFFAOYSA-N 0 0 455.723 4.769 20 0 JJADRN CCCc1c(C(=O)Nc2nnc(C3CCOCC3)s2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001460526358 1067650711 /nfs/dbraw/zinc/65/07/11/1067650711.db2.gz NXQSJHTURPKDLZ-UHFFFAOYSA-N 0 0 454.600 4.515 20 0 JJADRN O=C(NCCc1ccc(Br)cc1Cl)c1nnn(-c2ccccc2)c1C(F)F ZINC001460530865 1067651772 /nfs/dbraw/zinc/65/17/72/1067651772.db2.gz GSNRNRLRSDSSHR-UHFFFAOYSA-N 0 0 455.690 4.593 20 0 JJADRN CCN(CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460532604 1067652171 /nfs/dbraw/zinc/65/21/71/1067652171.db2.gz DQFKZGLIMIMQAS-QGZVFWFLSA-N 0 0 454.562 4.831 20 0 JJADRN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C(F)(F)F)nc1Cl ZINC001460530815 1067652193 /nfs/dbraw/zinc/65/21/93/1067652193.db2.gz HPSSDTJXWVOGLP-FUXBKTLASA-N 0 0 454.649 4.533 20 0 JJADRN CCCc1c(C(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)nnn1-c1cccc(Cl)c1 ZINC001460530810 1067652233 /nfs/dbraw/zinc/65/22/33/1067652233.db2.gz XZMVWALHHGCZRB-UHFFFAOYSA-N 0 0 450.930 4.535 20 0 JJADRN CC(=O)c1ccc(CCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001546117056 1067653814 /nfs/dbraw/zinc/65/38/14/1067653814.db2.gz SKCVXIGFWCUYEN-PKTZIBPZSA-N 0 0 470.997 4.852 20 0 JJADRN O=C(Nc1ccc(Br)c(C2CC2)n1)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001460545068 1067654254 /nfs/dbraw/zinc/65/42/54/1067654254.db2.gz KLOCNHHMSMQQBF-GOSISDBHSA-N 0 0 458.356 4.851 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC001460549497 1067654708 /nfs/dbraw/zinc/65/47/08/1067654708.db2.gz WQMNXXJZOIBHBT-HOYKHHGWSA-N 0 0 458.562 4.753 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1F ZINC001460551651 1067655112 /nfs/dbraw/zinc/65/51/12/1067655112.db2.gz BPUGVUYZDOBCMI-QZTJIDSGSA-N 0 0 452.551 4.765 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCC[C@H]1CCc2ccccc21 ZINC001460562223 1067656582 /nfs/dbraw/zinc/65/65/82/1067656582.db2.gz VDBQCGVAZVHFAS-CYBMUJFWSA-N 0 0 455.723 4.803 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1)OC ZINC001460566325 1067657166 /nfs/dbraw/zinc/65/71/66/1067657166.db2.gz KYWNNOYEVFPDKL-NOZRDPDXSA-N 0 0 452.595 4.809 20 0 JJADRN O=C(CN[C@H](CCO)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460570736 1067658086 /nfs/dbraw/zinc/65/80/86/1067658086.db2.gz OADMRVRJWDEGKX-OAQYLSRUSA-N 0 0 457.357 4.876 20 0 JJADRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC001460573598 1067658633 /nfs/dbraw/zinc/65/86/33/1067658633.db2.gz XOWUUGUPRIOMBX-UHFFFAOYSA-N 0 0 455.388 4.711 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1cc(Br)ccc1F ZINC001460573334 1067658748 /nfs/dbraw/zinc/65/87/48/1067658748.db2.gz SSKUQUCXAPRAEF-UHFFFAOYSA-N 0 0 450.739 4.903 20 0 JJADRN COc1ccc(C=CC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1OC ZINC001460574515 1067659122 /nfs/dbraw/zinc/65/91/22/1067659122.db2.gz CSRVSWCDDALBJR-VQHVLOKHSA-N 0 0 454.885 4.969 20 0 JJADRN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C)c(F)cc3C(=O)N[C@H](C)c3ccccc3)c12 ZINC001460579552 1067660265 /nfs/dbraw/zinc/66/02/65/1067660265.db2.gz HAEOROZNQLKLJL-MRXNPFEDSA-N 0 0 459.525 4.776 20 0 JJADRN C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(N2CCCCC2=O)cc1 ZINC001460578407 1067660306 /nfs/dbraw/zinc/66/03/06/1067660306.db2.gz BPQDFMWVZCFNKJ-MRXNPFEDSA-N 0 0 456.468 4.899 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCCC2=O)cc1 ZINC001460581462 1067661091 /nfs/dbraw/zinc/66/10/91/1067661091.db2.gz NSEXZUBMYADIGY-KXBFYZLASA-N 0 0 457.368 4.710 20 0 JJADRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1Br ZINC001460582604 1067661160 /nfs/dbraw/zinc/66/11/60/1067661160.db2.gz TXAIARJWGQPMHM-INIZCTEOSA-N 0 0 459.384 4.785 20 0 JJADRN C[C@H](NC(=O)C(F)(F)c1ccccc1Br)c1ccc(N2CCCCC2=O)cc1 ZINC001460581543 1067661253 /nfs/dbraw/zinc/66/12/53/1067661253.db2.gz OIHFOBJSEIWZNS-AWEZNQCLSA-N 0 0 451.311 4.935 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CCS1 ZINC001546117457 1067661791 /nfs/dbraw/zinc/66/17/91/1067661791.db2.gz HGSFASZCOWEWRK-UHFFFAOYSA-N 0 0 456.635 4.784 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC001460585051 1067662688 /nfs/dbraw/zinc/66/26/88/1067662688.db2.gz UNIFQSZDXDWSSA-UHFFFAOYSA-N 0 0 455.898 4.596 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001460591156 1067664219 /nfs/dbraw/zinc/66/42/19/1067664219.db2.gz FLEMWFNKXVJHRM-AOMKIAJQSA-N 0 0 454.954 4.593 20 0 JJADRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC001460592852 1067664459 /nfs/dbraw/zinc/66/44/59/1067664459.db2.gz CQWNDGLYXGXBOD-HNNXBMFYSA-N 0 0 450.564 4.996 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cnn(Cc3ccccc3)c2Br)c(C)c1OC ZINC001460596668 1067664969 /nfs/dbraw/zinc/66/49/69/1067664969.db2.gz IKFQZQKLUYWYPL-OAHLLOKOSA-N 0 0 458.356 4.511 20 0 JJADRN COC(=O)C[C@](C)(NC(=O)c1cc(C)c(Br)c(Cl)c1)c1cccc(OC)c1 ZINC001460596417 1067664992 /nfs/dbraw/zinc/66/49/92/1067664992.db2.gz MCYNBMVVYJVZGR-FQEVSTJZSA-N 0 0 454.748 4.628 20 0 JJADRN COc1cnc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 ZINC001460596689 1067665585 /nfs/dbraw/zinc/66/55/85/1067665585.db2.gz MVFHGBPEAHDBKP-UHFFFAOYSA-N 0 0 451.708 4.518 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001460599205 1067666389 /nfs/dbraw/zinc/66/63/89/1067666389.db2.gz VBFGZRIYBOWXFG-RHGYRFJNSA-N 0 0 457.014 4.549 20 0 JJADRN Brc1scnc1CN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001460599119 1067666423 /nfs/dbraw/zinc/66/64/23/1067666423.db2.gz BRRBZWBSUMBECH-UHFFFAOYSA-N 0 0 458.425 4.802 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001460599200 1067666451 /nfs/dbraw/zinc/66/64/51/1067666451.db2.gz VBFGZRIYBOWXFG-GGUMNFRJSA-N 0 0 457.014 4.549 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)N(C)C ZINC001460605137 1067668756 /nfs/dbraw/zinc/66/87/56/1067668756.db2.gz IOEPEYOOVDUKHJ-SFHVURJKSA-N 0 0 459.662 4.528 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c(C)c1OC ZINC001460605750 1067669226 /nfs/dbraw/zinc/66/92/26/1067669226.db2.gz ZGJKBJZHBCRDDZ-CYBMUJFWSA-N 0 0 451.420 4.847 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC001460607347 1067669789 /nfs/dbraw/zinc/66/97/89/1067669789.db2.gz MPSDGQUFOXOFEH-UHFFFAOYSA-N 0 0 450.329 4.694 20 0 JJADRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001460607740 1067670118 /nfs/dbraw/zinc/67/01/18/1067670118.db2.gz NYMMUWTUUMRYGQ-HDICACEKSA-N 0 0 459.512 4.501 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001460608318 1067670225 /nfs/dbraw/zinc/67/02/25/1067670225.db2.gz NRGPPHDQIBJDSM-NRFANRHFSA-N 0 0 456.539 4.998 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460610810 1067671293 /nfs/dbraw/zinc/67/12/93/1067671293.db2.gz RGNXBNNUWMDQJV-HNNXBMFYSA-N 0 0 458.584 4.926 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccn4c3nc(C)cc4C)c2)c1 ZINC001460612783 1067672353 /nfs/dbraw/zinc/67/23/53/1067672353.db2.gz LHEPFRSYUXDLJN-UHFFFAOYSA-N 0 0 456.502 4.632 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001460612669 1067672397 /nfs/dbraw/zinc/67/23/97/1067672397.db2.gz WOAFLPXNXIECTP-NRFANRHFSA-N 0 0 452.414 4.767 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccncc1OC[C@@H]1CCOC1 ZINC001460612943 1067672500 /nfs/dbraw/zinc/67/25/00/1067672500.db2.gz AFKQVGMZJVWWHO-GOSISDBHSA-N 0 0 458.986 4.893 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC001460612719 1067672553 /nfs/dbraw/zinc/67/25/53/1067672553.db2.gz SEDXJUKQYMPXOT-UHFFFAOYSA-N 0 0 454.355 4.990 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC001460613941 1067672982 /nfs/dbraw/zinc/67/29/82/1067672982.db2.gz UYUTUFSWYHDAHY-HZPDHXFCSA-N 0 0 452.374 4.530 20 0 JJADRN COc1ccncc1COC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001460616040 1067674142 /nfs/dbraw/zinc/67/41/42/1067674142.db2.gz JRXKGYLINVFKQO-UHFFFAOYSA-N 0 0 458.308 4.797 20 0 JJADRN Cc1cc(C(C)(C)NC(=O)c2cn3ccc(Br)cc3n2)ccc1Br ZINC001460617095 1067674210 /nfs/dbraw/zinc/67/42/10/1067674210.db2.gz LPMZLNGJMWUKSL-UHFFFAOYSA-N 0 0 451.162 4.833 20 0 JJADRN CC[C@H](c1ccccc1OC)N(C)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001460620904 1067675239 /nfs/dbraw/zinc/67/52/39/1067675239.db2.gz SYNQAAQGICMFRL-PZJWPPBQSA-N 0 0 455.624 4.557 20 0 JJADRN COC(=O)[C@@H](NC[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C ZINC001460622850 1067675688 /nfs/dbraw/zinc/67/56/88/1067675688.db2.gz XQLPEMJMJYLVIJ-PZJWPPBQSA-N 0 0 454.394 4.638 20 0 JJADRN COC(=O)[C@@H](NC[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C ZINC001460622851 1067675748 /nfs/dbraw/zinc/67/57/48/1067675748.db2.gz XQLPEMJMJYLVIJ-TZIWHRDSSA-N 0 0 454.394 4.638 20 0 JJADRN O=C(CN[C@@H](CCO)c1ccc(Cl)c(F)c1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001460626455 1067676755 /nfs/dbraw/zinc/67/67/55/1067676755.db2.gz MYCGZJNPUFPPDY-SFHVURJKSA-N 0 0 458.946 4.736 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(NC(C)=O)c2)CCS1 ZINC001546117751 1067677397 /nfs/dbraw/zinc/67/73/97/1067677397.db2.gz OHGQYDMHXGXKRY-OAQYLSRUSA-N 0 0 457.644 4.638 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)s2)cc1 ZINC001460628069 1067677877 /nfs/dbraw/zinc/67/78/77/1067677877.db2.gz YACGLIKDOVMXKD-QUCCMNQESA-N 0 0 460.962 4.765 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CCS1 ZINC001546117764 1067677989 /nfs/dbraw/zinc/67/79/89/1067677989.db2.gz OMUHNYYSFYVIMS-TZIWHRDSSA-N 0 0 462.635 4.811 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)Nc1nccn1Cc1ccc(Br)cc1)=C2 ZINC001460629469 1067677998 /nfs/dbraw/zinc/67/79/98/1067677998.db2.gz HAISCGNIAKROPL-UHFFFAOYSA-N 0 0 454.324 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)CSCC(=O)c3ccccc3)cccc21 ZINC001460636855 1067680413 /nfs/dbraw/zinc/68/04/13/1067680413.db2.gz RPALJOWDULOVHT-UHFFFAOYSA-N 0 0 454.592 4.607 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1cccc(OCc2noc(C)n2)c1 ZINC001460636057 1067680477 /nfs/dbraw/zinc/68/04/77/1067680477.db2.gz XFZBWTXTMLRBDR-UHFFFAOYSA-N 0 0 450.264 4.510 20 0 JJADRN O=C(CCCOc1ccc(I)cc1)NCc1ccc(C2CC2)cc1F ZINC001460637403 1067680911 /nfs/dbraw/zinc/68/09/11/1067680911.db2.gz FWTXMEDCKYJORE-UHFFFAOYSA-N 0 0 453.295 4.783 20 0 JJADRN C[C@@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460638245 1067680933 /nfs/dbraw/zinc/68/09/33/1067680933.db2.gz PHVHTZLMQICGML-QGZVFWFLSA-N 0 0 456.608 4.561 20 0 JJADRN O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccccc1OCc1ccncc1 ZINC001460639823 1067681531 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20 0 JJADRN Cc1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001460649467 1067686176 /nfs/dbraw/zinc/68/61/76/1067686176.db2.gz IOEKAYMXSUWOHC-BGYRXZFFSA-N 0 0 454.533 4.888 20 0 JJADRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001460648766 1067686244 /nfs/dbraw/zinc/68/62/44/1067686244.db2.gz KYUXGTLEAHYRFG-OAQYLSRUSA-N 0 0 458.990 4.577 20 0 JJADRN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC001460649461 1067686285 /nfs/dbraw/zinc/68/62/85/1067686285.db2.gz IKXUHJGONUTLFJ-INIZCTEOSA-N 0 0 458.230 4.957 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CCS1 ZINC001546117925 1067686291 /nfs/dbraw/zinc/68/62/91/1067686291.db2.gz SQZRECMYDGOBOF-TZIWHRDSSA-N 0 0 471.671 4.509 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC001460651648 1067687084 /nfs/dbraw/zinc/68/70/84/1067687084.db2.gz JJVXVSWHKWAPRQ-QZTJIDSGSA-N 0 0 458.649 4.832 20 0 JJADRN O=C(CN1CCC[C@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650968 1067687115 /nfs/dbraw/zinc/68/71/15/1067687115.db2.gz NSALAWFAHGWLML-NRFANRHFSA-N 0 0 455.986 4.954 20 0 JJADRN O=C(CN1CCC[C@@H](OC2CCC2)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460650971 1067687301 /nfs/dbraw/zinc/68/73/01/1067687301.db2.gz NSALAWFAHGWLML-OAQYLSRUSA-N 0 0 455.986 4.954 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001460652270 1067687828 /nfs/dbraw/zinc/68/78/28/1067687828.db2.gz OWTYTURAHKNSQH-GJZGRUSLSA-N 0 0 453.892 4.648 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)Cn1ccc(C(F)F)n1)CC(C)(C)O2 ZINC001460654366 1067688923 /nfs/dbraw/zinc/68/89/23/1067688923.db2.gz ZNXZYEADQQZGAC-MRXNPFEDSA-N 0 0 450.486 4.586 20 0 JJADRN CC(C)OCc1nc([C@@H](C)NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)no1 ZINC001460654726 1067689315 /nfs/dbraw/zinc/68/93/15/1067689315.db2.gz PYHFQAADVMDSIV-OAHLLOKOSA-N 0 0 457.962 4.594 20 0 JJADRN CC(C)OCc1nc([C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)no1 ZINC001460655793 1067689930 /nfs/dbraw/zinc/68/99/30/1067689930.db2.gz RWRRJTMKOMTPCD-LBPRGKRZSA-N 0 0 453.326 4.766 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)N(C)CC(F)(F)Br)[C@H]2c2cccs2)cc1 ZINC001460657391 1067690738 /nfs/dbraw/zinc/69/07/38/1067690738.db2.gz TVKSUQTUFHNZQY-YOEHRIQHSA-N 0 0 457.340 4.597 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460657548 1067690761 /nfs/dbraw/zinc/69/07/61/1067690761.db2.gz ZNCTZQSSTPPTJM-AKMXKPQHSA-N 0 0 453.377 4.885 20 0 JJADRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN[C@H](CF)c1ccc(F)cc1 ZINC001460659601 1067691420 /nfs/dbraw/zinc/69/14/20/1067691420.db2.gz RHMXANWITVLRIN-MHECFPHRSA-N 0 0 451.517 4.898 20 0 JJADRN CCOC(=O)[C@@H](N[C@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1F ZINC001460661737 1067691744 /nfs/dbraw/zinc/69/17/44/1067691744.db2.gz DXSXKYKDIFGQSQ-MJGOQNOKSA-N 0 0 454.336 4.951 20 0 JJADRN FC(F)(F)COc1cccc(CN2Cc3cccnc3N3CCC[C@H]3C2)c1Br ZINC001460660277 1067691777 /nfs/dbraw/zinc/69/17/77/1067691777.db2.gz HZMXRHNJVIRCBI-INIZCTEOSA-N 0 0 456.306 4.770 20 0 JJADRN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@@H](CF)c2ccc(F)cc2)cc1 ZINC001460660774 1067691838 /nfs/dbraw/zinc/69/18/38/1067691838.db2.gz ZMSXTRBJTQLKBZ-QFIPXVFZSA-N 0 0 453.489 4.716 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC001460660985 1067691980 /nfs/dbraw/zinc/69/19/80/1067691980.db2.gz MNJWFMMALHVFCV-SFHVURJKSA-N 0 0 452.530 4.503 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662479 1067692592 /nfs/dbraw/zinc/69/25/92/1067692592.db2.gz UPMULTSJICVOHR-GPXNEJASSA-N 0 0 459.606 4.647 20 0 JJADRN COc1cc(F)c(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)c(F)c1 ZINC001460664557 1067693023 /nfs/dbraw/zinc/69/30/23/1067693023.db2.gz KLMBDHOGGOLEJV-LLVKDONJSA-N 0 0 455.274 4.894 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667290 1067694111 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SGGAVBUJMWJCRB-UHFFFAOYSA-N 0 0 456.930 4.730 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC001460677860 1067698060 /nfs/dbraw/zinc/69/80/60/1067698060.db2.gz YCFKMQBJRXXDCN-UHFFFAOYSA-N 0 0 452.370 4.735 20 0 JJADRN CC(C)(C(=O)NCc1ccccc1Cn1ccnc1)c1csc(-c2cc(F)ccc2F)n1 ZINC001460679403 1067698680 /nfs/dbraw/zinc/69/86/80/1067698680.db2.gz DYSONSSIXGYMLR-UHFFFAOYSA-N 0 0 452.530 4.927 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)COC)CCS1 ZINC001546117809 1067698700 /nfs/dbraw/zinc/69/87/00/1067698700.db2.gz PSXRHKMOUTVLAH-FQEVSTJZSA-N 0 0 460.644 4.575 20 0 JJADRN CCc1ccc(N(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC001460679860 1067699063 /nfs/dbraw/zinc/69/90/63/1067699063.db2.gz ZWNQHYRWMFLLFI-INIZCTEOSA-N 0 0 452.414 4.863 20 0 JJADRN COC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001460680663 1067699190 /nfs/dbraw/zinc/69/91/90/1067699190.db2.gz JSYABDFURSQANY-GBSSLUMBSA-N 0 0 451.007 4.863 20 0 JJADRN 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Cc1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)onc1C1CCCCC1 ZINC001460686471 1067701606 /nfs/dbraw/zinc/70/16/06/1067701606.db2.gz FDRUXYZTGIPDAP-CALCHBBNSA-N 0 0 459.612 4.950 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460689781 1067702397 /nfs/dbraw/zinc/70/23/97/1067702397.db2.gz VLKKFVWZBLISFK-LEWJYISDSA-N 0 0 454.368 4.953 20 0 JJADRN CCOC(=O)C(C)(C)c1csc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n1 ZINC001460690523 1067702543 /nfs/dbraw/zinc/70/25/43/1067702543.db2.gz QGAVQMPLZLZKAG-LLVKDONJSA-N 0 0 457.365 4.703 20 0 JJADRN O=S(=O)(c1ccc(CNC2(c3cc(Cl)cc(Br)c3)CC2)cc1)C(F)F ZINC001460700862 1067704353 /nfs/dbraw/zinc/70/43/53/1067704353.db2.gz GMMRGISUCIXQDM-UHFFFAOYSA-N 0 0 450.732 4.878 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C[C@@H]1c1ccccc1 ZINC001460700435 1067704380 /nfs/dbraw/zinc/70/43/80/1067704380.db2.gz BIGUUOAIBZRWKH-DHIUTWEWSA-N 0 0 479.960 4.956 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)c3cccc(F)c3Sc3ccccc3)CC2)s1 ZINC001460700785 1067704470 /nfs/dbraw/zinc/70/44/70/1067704470.db2.gz DGJCEQWXSGOFRO-UHFFFAOYSA-N 0 0 456.564 4.787 20 0 JJADRN CCc1ccc(CN2CCN(C[C@@](C)(O)c3ccc(Br)cc3Cl)CC2)cc1 ZINC001460703219 1067704769 /nfs/dbraw/zinc/70/47/69/1067704769.db2.gz WXJKJAYVHXXNHU-JOCHJYFZSA-N 0 0 451.836 4.690 20 0 JJADRN O=C(CN1CCn2cnc(C(F)(F)F)c2C1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460703489 1067704987 /nfs/dbraw/zinc/70/49/87/1067704987.db2.gz PNEJCIAGGFZFHB-UHFFFAOYSA-N 0 0 450.848 4.802 20 0 JJADRN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC001460707296 1067705961 /nfs/dbraw/zinc/70/59/61/1067705961.db2.gz LPZQLHPXDAYIFD-UHFFFAOYSA-N 0 0 453.395 4.756 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 ZINC001460710663 1067706410 /nfs/dbraw/zinc/70/64/10/1067706410.db2.gz AFZSYINERXJXMA-BCHFMIIMSA-N 0 0 458.558 4.636 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1OC ZINC001460714642 1067707333 /nfs/dbraw/zinc/70/73/33/1067707333.db2.gz HIPAVLCPJPCHFG-UHFFFAOYSA-N 0 0 459.262 4.597 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC001460714028 1067707373 /nfs/dbraw/zinc/70/73/73/1067707373.db2.gz QVRZBMZPZMTKTL-LJQANCHMSA-N 0 0 455.558 4.701 20 0 JJADRN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460715196 1067707751 /nfs/dbraw/zinc/70/77/51/1067707751.db2.gz AYBIPXBDLAMJFL-FQEVSTJZSA-N 0 0 455.549 4.844 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001460721943 1067709294 /nfs/dbraw/zinc/70/92/94/1067709294.db2.gz DBTIAQZIJMPUTD-RBBKRZOGSA-N 0 0 452.986 4.798 20 0 JJADRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001460721950 1067709439 /nfs/dbraw/zinc/70/94/39/1067709439.db2.gz DBTIAQZIJMPUTD-UNMCSNQZSA-N 0 0 452.986 4.798 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001460724000 1067709799 /nfs/dbraw/zinc/70/97/99/1067709799.db2.gz JSPIEOYTYXCYPD-YOOZAQADSA-N 0 0 459.011 4.832 20 0 JJADRN CC(=O)N[C@@H](C(=O)N1CCCc2c(Cl)cc(Cl)cc21)c1cccc(Br)c1 ZINC001460725270 1067710406 /nfs/dbraw/zinc/71/04/06/1067710406.db2.gz FRTFWEROCIJFAM-GOSISDBHSA-N 0 0 456.167 4.913 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)c1 ZINC001460734224 1067712243 /nfs/dbraw/zinc/71/22/43/1067712243.db2.gz SVPGXPSAXJDRIZ-IBGZPJMESA-N 0 0 452.576 4.710 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN3C(=O)CC[C@@]23c2ccccc2)cc1OCCCC ZINC001460740248 1067712913 /nfs/dbraw/zinc/71/29/13/1067712913.db2.gz HPZUKDFNWKWPBH-MHZLTWQESA-N 0 0 450.579 4.976 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460740207 1067712927 /nfs/dbraw/zinc/71/29/27/1067712927.db2.gz YYDRJVGYAOLNJH-KKSFZXQISA-N 0 0 453.539 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)C3CC3)s2)[C@H](c2ccccc2)C1 ZINC001460741748 1067713376 /nfs/dbraw/zinc/71/33/76/1067713376.db2.gz ZJMKRALRTRTSPS-SFHVURJKSA-N 0 0 455.580 4.531 20 0 JJADRN CC(=O)N(c1nc(CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cs1)c1ccc(C)cc1 ZINC001460744398 1067713987 /nfs/dbraw/zinc/71/39/87/1067713987.db2.gz CETSJHJUXHXTMP-FCHUYYIVSA-N 0 0 455.624 4.936 20 0 JJADRN CC(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c(C)nc1C ZINC001460746393 1067714545 /nfs/dbraw/zinc/71/45/45/1067714545.db2.gz WEXVQNKGYLCMQI-NZQKXSOJSA-N 0 0 469.557 4.563 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccncc2Br)CC[C@H]1c1ccc(F)cc1 ZINC001460746184 1067714565 /nfs/dbraw/zinc/71/45/65/1067714565.db2.gz UJXAMRVUVXXCDN-QFBILLFUSA-N 0 0 478.362 4.506 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)[C@@H]2CCCC[C@H]21 ZINC001546118708 1067716123 /nfs/dbraw/zinc/71/61/23/1067716123.db2.gz LFWQLQQVUYUOLX-YMTYPPQLSA-N 0 0 450.963 4.931 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C[C@@H]1CC ZINC001460752504 1067716530 /nfs/dbraw/zinc/71/65/30/1067716530.db2.gz FAJLAYJGRPJVIN-HUTHGQBESA-N 0 0 460.160 4.852 20 0 JJADRN 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VBGHADNAAQRADM-WOJBJXKFSA-N 0 0 452.486 4.793 20 0 JJADRN CCN(c1ccnc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n1)C1CCCC1 ZINC001460800618 1067726622 /nfs/dbraw/zinc/72/66/22/1067726622.db2.gz JXMRBBRUCGFNMU-ZDUSSCGKSA-N 0 0 451.340 4.553 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802229 1067727060 /nfs/dbraw/zinc/72/70/60/1067727060.db2.gz OUFPIGRZKAPXQX-HNNXBMFYSA-N 0 0 450.398 4.731 20 0 JJADRN COCc1nc2sc(C(=O)N[C@H](C)Cc3ccccc3C(F)(F)F)c(C)c2c(OC)n1 ZINC001546119143 1067727410 /nfs/dbraw/zinc/72/74/10/1067727410.db2.gz VOVZYVPTBVTHQS-LLVKDONJSA-N 0 0 453.486 4.535 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001460816772 1067729112 /nfs/dbraw/zinc/72/91/12/1067729112.db2.gz VSFLKLPMEPIMDB-HSZRJFAPSA-N 0 0 458.027 4.782 20 0 JJADRN O=C(CN1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)NCCCC1CCCCC1 ZINC001460817596 1067729134 /nfs/dbraw/zinc/72/91/34/1067729134.db2.gz WJGXSWDDCVAUDN-HSZRJFAPSA-N 0 0 459.432 4.596 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)Oc1ccc(Br)c(Cl)c1 ZINC001460819767 1067729380 /nfs/dbraw/zinc/72/93/80/1067729380.db2.gz YELOANYRCXARQW-ZZXKWVIFSA-N 0 0 453.457 4.919 20 0 JJADRN O=C(CNC1(c2ncccn2)CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001460826883 1067730461 /nfs/dbraw/zinc/73/04/61/1067730461.db2.gz FMAPHJCJLWPVMI-UHFFFAOYSA-N 0 0 454.983 4.515 20 0 JJADRN CC[C@@H]1OCC[C@H]1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC001460828255 1067730797 /nfs/dbraw/zinc/73/07/97/1067730797.db2.gz XBCCRNZUAOQQNW-XLIONFOSSA-N 0 0 463.525 4.879 20 0 JJADRN Cc1cc2c(cc1Br)CN([C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)CC2 ZINC001460831109 1067731034 /nfs/dbraw/zinc/73/10/34/1067731034.db2.gz RFHAPVGZFGHQDM-AWEZNQCLSA-N 0 0 453.783 4.955 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1ccn(-c3ccc(Cl)cc3)n1)COCC2 ZINC001460832606 1067731409 /nfs/dbraw/zinc/73/14/09/1067731409.db2.gz URWJBMKEPIYSCM-UHFFFAOYSA-N 0 0 459.955 4.868 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC001460837384 1067731756 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20 0 JJADRN CC[C@@](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)(C(=O)OC)c1ccccc1 ZINC001460846075 1067733945 /nfs/dbraw/zinc/73/39/45/1067733945.db2.gz ALCZULGTKRGTBW-QHCPKHFHSA-N 0 0 455.967 4.532 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N3[C@@H](C)CCC3(C)C)cc2)cc1C ZINC001460851131 1067734637 /nfs/dbraw/zinc/73/46/37/1067734637.db2.gz MKDHBBRFDXSWER-PMACEKPBSA-N 0 0 458.624 4.685 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3[C@@H](C)CCC3(C)C)cc2)cc1C ZINC001460851137 1067734744 /nfs/dbraw/zinc/73/47/44/1067734744.db2.gz MKDHBBRFDXSWER-VQTJNVASSA-N 0 0 458.624 4.685 20 0 JJADRN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001460856193 1067735495 /nfs/dbraw/zinc/73/54/95/1067735495.db2.gz VNWSXKWGXGAJMF-NOZRDPDXSA-N 0 0 452.595 4.812 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001460856197 1067735568 /nfs/dbraw/zinc/73/55/68/1067735568.db2.gz VNWSXKWGXGAJMF-ZCYQVOJMSA-N 0 0 452.595 4.812 20 0 JJADRN CCO[C@@H]1CCC[C@H]1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001460860726 1067736362 /nfs/dbraw/zinc/73/63/62/1067736362.db2.gz NGCPFZKMCDVUIY-HZPDHXFCSA-N 0 0 450.486 4.702 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)CCS1 ZINC001546119635 1067736431 /nfs/dbraw/zinc/73/64/31/1067736431.db2.gz KIRISAAJOMDXTO-UHFFFAOYSA-N 0 0 488.702 4.633 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(F)(F)c1ccc(Br)cc1 ZINC001460863399 1067736845 /nfs/dbraw/zinc/73/68/45/1067736845.db2.gz AMYROOBNAJYSDH-DLBZAZTESA-N 0 0 477.271 4.687 20 0 JJADRN Cc1ccc(Cl)c2c1CCCN2C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC001460863066 1067736862 /nfs/dbraw/zinc/73/68/62/1067736862.db2.gz NXZUNPOQCVYLNA-UHFFFAOYSA-N 0 0 451.880 4.634 20 0 JJADRN CCN(CC)C(=O)c1ccc(C(=O)N2CCCc3c(Br)c(F)cc(F)c32)cc1 ZINC001460866271 1067737465 /nfs/dbraw/zinc/73/74/65/1067737465.db2.gz LSOCWCKXVJSYMM-UHFFFAOYSA-N 0 0 451.311 4.802 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2Cc2ccnc(SC)c2)CCS1 ZINC001546119710 1067737626 /nfs/dbraw/zinc/73/76/26/1067737626.db2.gz NHSKVGALJKPONU-UHFFFAOYSA-N 0 0 454.669 4.541 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001460867251 1067738076 /nfs/dbraw/zinc/73/80/76/1067738076.db2.gz OVGXDHGLVJWFFE-BJKOFHAPSA-N 0 0 460.540 4.871 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001460868177 1067738489 /nfs/dbraw/zinc/73/84/89/1067738489.db2.gz URTBPPYNTINTJM-GOEBONIOSA-N 0 0 466.809 4.999 20 0 JJADRN CN(C(=O)c1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1)c1ccccc1 ZINC001460869861 1067738770 /nfs/dbraw/zinc/73/87/70/1067738770.db2.gz XJXYVASIVFPANY-BJKOFHAPSA-N 0 0 481.518 4.723 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460870787 1067739188 /nfs/dbraw/zinc/73/91/88/1067739188.db2.gz KMAVIZQUMLMNKG-SFHVURJKSA-N 0 0 451.583 4.677 20 0 JJADRN O=C(NC1CCN(Cc2cccc(Br)c2)CC1)C(F)(F)c1ccc(Cl)cc1 ZINC001460873596 1067739491 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ZINC001460899834 1067745464 /nfs/dbraw/zinc/74/54/64/1067745464.db2.gz WDCPEBOPAQTRDC-UHFFFAOYSA-N 0 0 454.640 4.590 20 0 JJADRN CCOCN(C(=O)CN1CC[C@@H](CC(=O)OCC)c2ccccc21)c1c(C)cccc1CC ZINC001460897206 1067745490 /nfs/dbraw/zinc/74/54/90/1067745490.db2.gz HTRJVGAROFRGCD-QFIPXVFZSA-N 0 0 452.595 4.832 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)C1(C)C ZINC001460900400 1067745936 /nfs/dbraw/zinc/74/59/36/1067745936.db2.gz BKJQJZQEXSSBDD-GOSISDBHSA-N 0 0 451.995 4.964 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)[C@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)c1 ZINC001460907431 1067746238 /nfs/dbraw/zinc/74/62/38/1067746238.db2.gz BRZDQLWJCXSFAU-WCAVRKLYSA-N 0 0 454.542 4.729 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001460918845 1067747664 /nfs/dbraw/zinc/74/76/64/1067747664.db2.gz BIFCXJGCFRDJEB-GFCCVEGCSA-N 0 0 458.506 4.732 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001460918849 1067748104 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C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC001460945515 1067751915 /nfs/dbraw/zinc/75/19/15/1067751915.db2.gz GSGNAKRZVUSZQC-GFCCVEGCSA-N 0 0 450.486 4.681 20 0 JJADRN C[C@H](CC(=O)Oc1ccc(Br)c(C(F)(F)F)c1)n1cc(Br)cn1 ZINC001460951457 1067752621 /nfs/dbraw/zinc/75/26/21/1067752621.db2.gz VHVSOVUXFRVAEH-MRVPVSSYSA-N 0 0 456.056 4.984 20 0 JJADRN CC(C)(C)C[C@@H]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 ZINC001460951266 1067752737 /nfs/dbraw/zinc/75/27/37/1067752737.db2.gz AZYXNBHUSARXSW-LBPRGKRZSA-N 0 0 459.310 4.947 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC001460954650 1067753225 /nfs/dbraw/zinc/75/32/25/1067753225.db2.gz DYGCCTINIKUVQQ-UHFFFAOYSA-N 0 0 451.368 4.819 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001460959261 1067753588 /nfs/dbraw/zinc/75/35/88/1067753588.db2.gz DXYHTZIPXZSBKM-UHFFFAOYSA-N 0 0 453.739 4.941 20 0 JJADRN COc1ccc(CN(C)C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1Cl ZINC001460965851 1067754195 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/nfs/dbraw/zinc/76/96/16/1067769616.db2.gz OTGNEVGMKILFRB-RBUKOAKNSA-N 0 0 476.932 4.699 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)ccc1OC(F)(F)F ZINC001461052647 1067770355 /nfs/dbraw/zinc/77/03/55/1067770355.db2.gz BDUOIFLBNVOIIW-QGZVFWFLSA-N 0 0 450.457 4.990 20 0 JJADRN CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)c1cnc(-c2ccccc2Br)s1 ZINC001461052329 1067770383 /nfs/dbraw/zinc/77/03/83/1067770383.db2.gz GZHKMVKEAAIYSK-HXUWFJFHSA-N 0 0 451.386 4.767 20 0 JJADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(OC)ccc2Br)CCC1 ZINC001546121085 1067770606 /nfs/dbraw/zinc/77/06/06/1067770606.db2.gz KKDGNUAVACRSOT-UHFFFAOYSA-N 0 0 490.446 4.502 20 0 JJADRN O=C(Oc1cccc(OCc2ccccc2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001461053295 1067770997 /nfs/dbraw/zinc/77/09/97/1067770997.db2.gz XUTOXXVJVVEAIO-UHFFFAOYSA-N 0 0 457.935 4.678 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC001461054266 1067771134 /nfs/dbraw/zinc/77/11/34/1067771134.db2.gz WNSHWYLWZIUZJG-LEWJYISDSA-N 0 0 474.370 4.716 20 0 JJADRN C[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H]1C(=O)OC(C)(C)C ZINC001461058105 1067771848 /nfs/dbraw/zinc/77/18/48/1067771848.db2.gz JYGGGJODOXKFGG-HNAYVOBHSA-N 0 0 451.405 4.632 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)n(C)c2=O)CCS1 ZINC001546121112 1067771863 /nfs/dbraw/zinc/77/18/63/1067771863.db2.gz LJYWJGRLAGRBQO-UHFFFAOYSA-N 0 0 495.693 4.641 20 0 JJADRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC001461058390 1067772176 /nfs/dbraw/zinc/77/21/76/1067772176.db2.gz FDAPVLPNBIYATA-YTTGMZPUSA-N 0 0 453.520 4.546 20 0 JJADRN CC(C)COc1cccc(OCC(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001461059451 1067772499 /nfs/dbraw/zinc/77/24/99/1067772499.db2.gz FNMYUFPZNKUORA-HXUWFJFHSA-N 0 0 454.567 4.583 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)cc2)c1 ZINC001461060990 1067772826 /nfs/dbraw/zinc/77/28/26/1067772826.db2.gz DOIQDYOBAOQUBX-QHCPKHFHSA-N 0 0 452.595 4.659 20 0 JJADRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001461063835 1067773517 /nfs/dbraw/zinc/77/35/17/1067773517.db2.gz RXZMMOLYWHWSPB-LJAQVGFWSA-N 0 0 453.347 4.761 20 0 JJADRN Cc1c(F)cc(Cl)c2c1CCCN2C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC001461062048 1067773554 /nfs/dbraw/zinc/77/35/54/1067773554.db2.gz MPJVWFGHXCOXRR-QFIPXVFZSA-N 0 0 455.961 4.932 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn(-c2cccc(Br)c2)c1)C(=O)OC(C)(C)C ZINC001461064051 1067773849 /nfs/dbraw/zinc/77/38/49/1067773849.db2.gz YCXBBOWXTFDEDW-UHFFFAOYSA-N 0 0 450.377 4.513 20 0 JJADRN COc1cccc(C(=O)Nc2ccc(Cl)c(I)c2)c1OC(F)F ZINC001461064047 1067773887 /nfs/dbraw/zinc/77/38/87/1067773887.db2.gz BAPBQTCUSKFYTE-UHFFFAOYSA-N 0 0 453.610 4.807 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1ccc(Cl)c(I)c1 ZINC001461064159 1067773957 /nfs/dbraw/zinc/77/39/57/1067773957.db2.gz BKWCFZXCIBAZEU-UHFFFAOYSA-N 0 0 456.530 4.950 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2cccnc2)C(C)C)CCS1 ZINC001546121341 1067775736 /nfs/dbraw/zinc/77/57/36/1067775736.db2.gz UKEFJVAFMHPZHM-ZRBLBEILSA-N 0 0 487.714 4.949 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Oc2c(C)cc(OC)cc2C)c1 ZINC001461069644 1067775740 /nfs/dbraw/zinc/77/57/40/1067775740.db2.gz ANHYLJCMBMFRKR-UHFFFAOYSA-N 0 0 456.516 4.698 20 0 JJADRN Cc1oc(-c2cccs2)nc1CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461071130 1067775809 /nfs/dbraw/zinc/77/58/09/1067775809.db2.gz ODBXVXQUCDOWIJ-KRWDZBQOSA-N 0 0 453.564 4.737 20 0 JJADRN Cc1c(C(=O)Nc2nccc(Br)c2C)cnn1-c1cccc(Br)c1 ZINC001461083351 1067777966 /nfs/dbraw/zinc/77/79/66/1067777966.db2.gz YDRWRIKLGVYZPO-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN O=C(OCc1cc(-c2cccc(F)c2)on1)c1cc(Br)cnc1Br ZINC001461082691 1067778082 /nfs/dbraw/zinc/77/80/82/1067778082.db2.gz UALQGUPLAXHZCJ-UHFFFAOYSA-N 0 0 456.065 4.758 20 0 JJADRN CCC1(CC)CN(c2nnc(CSc3ccccc3OC)n2CC2([S@](C)=O)CC2)CCS1 ZINC001546121474 1067778410 /nfs/dbraw/zinc/77/84/10/1067778410.db2.gz ZYVJWKSZAOOWTR-YTTGMZPUSA-N 0 0 494.752 4.602 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCC2)CCS1 ZINC001546121458 1067778470 /nfs/dbraw/zinc/77/84/70/1067778470.db2.gz ZIDRCKKNQSVWGX-UHFFFAOYSA-N 0 0 458.672 4.891 20 0 JJADRN CC[C@H](Oc1ccccc1C)C(=O)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461086875 1067779112 /nfs/dbraw/zinc/77/91/12/1067779112.db2.gz NXXAKTTWPFAZFS-IBGZPJMESA-N 0 0 457.372 4.630 20 0 JJADRN COc1ccc(Cn2cc(CN[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)cc1 ZINC001461087251 1067779181 /nfs/dbraw/zinc/77/91/81/1067779181.db2.gz QWOSNOPFRPICDC-GOSISDBHSA-N 0 0 459.525 4.577 20 0 JJADRN COc1cccc(CCC(=O)N(CCc2ccccn2)c2ccc(Br)cn2)c1F ZINC001461087470 1067779411 /nfs/dbraw/zinc/77/94/11/1067779411.db2.gz QHBBFDIQOZYJNN-UHFFFAOYSA-N 0 0 458.331 4.595 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC001461092407 1067780256 /nfs/dbraw/zinc/78/02/56/1067780256.db2.gz MSTICJRTPKJVHD-MHZLTWQESA-N 0 0 451.586 4.713 20 0 JJADRN C[C@H](NCc1cn(-c2ccccc2Br)nn1)c1ccc(OCC(F)(F)F)cc1 ZINC001461092726 1067780512 /nfs/dbraw/zinc/78/05/12/1067780512.db2.gz LGKRJTKFTDOEIW-ZDUSSCGKSA-N 0 0 455.278 4.822 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001461094010 1067780951 /nfs/dbraw/zinc/78/09/51/1067780951.db2.gz COUJAQMEZICPGE-QGZVFWFLSA-N 0 0 451.571 4.665 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)nn1-c1cccc(Cl)c1 ZINC001461096915 1067781353 /nfs/dbraw/zinc/78/13/53/1067781353.db2.gz NHJHQHJZXHDQQS-UHFFFAOYSA-N 0 0 454.958 4.789 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC001461104485 1067782676 /nfs/dbraw/zinc/78/26/76/1067782676.db2.gz JSYJTJGEAPQBCL-UHFFFAOYSA-N 0 0 452.345 4.635 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cc(N2CCNC2=O)ccc1Cl ZINC001461116482 1067784432 /nfs/dbraw/zinc/78/44/32/1067784432.db2.gz UFDNNPCXJZJFCO-KRWDZBQOSA-N 0 0 454.811 4.523 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)N4[C@H](C)CCC[C@@H]4C(=O)OC(C)(C)C)c3)cn2c1 ZINC001461116295 1067784473 /nfs/dbraw/zinc/78/44/73/1067784473.db2.gz VORRHGSIJWRGQQ-AUSIDOKSSA-N 0 0 463.578 4.947 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1cccn2ncc(Br)c12 ZINC001461115879 1067784508 /nfs/dbraw/zinc/78/45/08/1067784508.db2.gz QWKQNXZJUJEQHG-INIZCTEOSA-N 0 0 455.209 4.751 20 0 JJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1[C@H](C)CCC[C@@H]1C(=O)OC(C)(C)C ZINC001461116353 1067784525 /nfs/dbraw/zinc/78/45/25/1067784525.db2.gz WJVQFDDCGRKIFX-OXQOHEQNSA-N 0 0 452.555 4.997 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OC(=O)COc1ccc2ccccc2c1Br ZINC001461122226 1067785179 /nfs/dbraw/zinc/78/51/79/1067785179.db2.gz XHLZRYAVUPJSML-UHFFFAOYSA-N 0 0 459.292 4.807 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001461122192 1067785321 /nfs/dbraw/zinc/78/53/21/1067785321.db2.gz WZQGYNXBWUOYCI-POCHDABASA-N 0 0 451.460 4.782 20 0 JJADRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001461120006 1067785380 /nfs/dbraw/zinc/78/53/80/1067785380.db2.gz APKAEUJVSRMPBU-MAEOIBBWSA-N 0 0 454.571 4.628 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c(Cl)c1 ZINC001461122331 1067785622 /nfs/dbraw/zinc/78/56/22/1067785622.db2.gz KKZLKIWJUGFNJV-RBSFLKMASA-N 0 0 453.967 4.767 20 0 JJADRN Cc1c(C(=O)NCC[C@H]2CSc3ccccc3O2)cnn1-c1ccc(Br)cc1 ZINC001461126166 1067786424 /nfs/dbraw/zinc/78/64/24/1067786424.db2.gz LEUYDXWKINSDKZ-KRWDZBQOSA-N 0 0 458.381 4.616 20 0 JJADRN O=C(Cc1cccc(Br)c1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001461125322 1067786449 /nfs/dbraw/zinc/78/64/49/1067786449.db2.gz OIONDGCTWWEYNB-UHFFFAOYSA-N 0 0 453.159 4.911 20 0 JJADRN CO[C@H](C(=O)NCc1cc(Cl)ccc1Br)c1ccc(Br)s1 ZINC001461146162 1067788606 /nfs/dbraw/zinc/78/86/06/1067788606.db2.gz HWLZUBDCDARTCI-ZDUSSCGKSA-N 0 0 453.583 4.930 20 0 JJADRN CC[C@H](NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)C(=O)NCc1cccs1 ZINC001461154430 1067790228 /nfs/dbraw/zinc/79/02/28/1067790228.db2.gz BUSJRXDLNZMBCT-QHCPKHFHSA-N 0 0 458.587 4.734 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CO1 ZINC001461154206 1067790370 /nfs/dbraw/zinc/79/03/70/1067790370.db2.gz AQEWJGMFFKCVKJ-NZQKXSOJSA-N 0 0 457.542 4.548 20 0 JJADRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCc4sc(Cl)cc4C3)cc2)c1C ZINC001461155555 1067790673 /nfs/dbraw/zinc/79/06/73/1067790673.db2.gz CHGOBJBXQOCLDR-UHFFFAOYSA-N 0 0 457.983 4.508 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)c1cccn2ncc(Br)c12 ZINC001461155878 1067790695 /nfs/dbraw/zinc/79/06/95/1067790695.db2.gz GLEPSBVUSUTPKD-UHFFFAOYSA-N 0 0 454.299 4.745 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)c1cc(Br)c2nccn2c1 ZINC001461157982 1067791052 /nfs/dbraw/zinc/79/10/52/1067791052.db2.gz QEZFEVIFGKOJET-UHFFFAOYSA-N 0 0 454.299 4.745 20 0 JJADRN CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(COc2cccc(F)c2)cc1 ZINC001461161056 1067791371 /nfs/dbraw/zinc/79/13/71/1067791371.db2.gz NJMYRYNUKACSNA-UHFFFAOYSA-N 0 0 458.331 4.558 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC001461169395 1067792094 /nfs/dbraw/zinc/79/20/94/1067792094.db2.gz GOOWFEAUMMOBQY-ATIYNZHBSA-N 0 0 453.558 4.695 20 0 JJADRN Cc1oc2ccccc2c1CC(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1 ZINC001461166985 1067792108 /nfs/dbraw/zinc/79/21/08/1067792108.db2.gz QVVCIULMFQLWMB-VWLOTQADSA-N 0 0 457.526 4.729 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CCOCC1 ZINC001546122264 1067793441 /nfs/dbraw/zinc/79/34/41/1067793441.db2.gz DJHJYXVSHSVEJW-PMACEKPBSA-N 0 0 471.671 4.684 20 0 JJADRN Cc1ccc(-c2ncc(CNCc3ccccc3S(=O)(=O)N3CCCCC3)s2)cc1C ZINC001461177963 1067793479 /nfs/dbraw/zinc/79/34/79/1067793479.db2.gz AGVOPQFJAVOSSL-UHFFFAOYSA-N 0 0 455.649 4.891 20 0 JJADRN Cc1ccc([C@H](NCc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccc(F)cc2Cl)cc1 ZINC001461179981 1067793988 /nfs/dbraw/zinc/79/39/88/1067793988.db2.gz IWKJZXRHIQZNJG-NRFANRHFSA-N 0 0 453.366 4.968 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001461182761 1067794248 /nfs/dbraw/zinc/79/42/48/1067794248.db2.gz BZUGHJCMMVADFX-HXUWFJFHSA-N 0 0 458.514 4.582 20 0 JJADRN COC(=O)[C@]1(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)C[C@@H]1c1ccccc1 ZINC001461182804 1067794363 /nfs/dbraw/zinc/79/43/63/1067794363.db2.gz CBKCSLKFKVQMNC-SPLOXXLWSA-N 0 0 459.727 4.936 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1 ZINC001461183852 1067794554 /nfs/dbraw/zinc/79/45/54/1067794554.db2.gz DZXATJFARWAOMR-XMMPIXPASA-N 0 0 458.514 4.801 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3ccc(F)c(Cl)c32)c1 ZINC001461184145 1067794616 /nfs/dbraw/zinc/79/46/16/1067794616.db2.gz WTMVVFXRTFDZRC-UHFFFAOYSA-N 0 0 459.370 4.754 20 0 JJADRN CC(C)CCOc1ccccc1NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001461187488 1067795211 /nfs/dbraw/zinc/79/52/11/1067795211.db2.gz JQZLBNYRBTZPGE-UHFFFAOYSA-N 0 0 458.605 4.820 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001461188219 1067795611 /nfs/dbraw/zinc/79/56/11/1067795611.db2.gz COTDTTZDUUUXAR-BIBXISHDSA-N 0 0 452.363 4.510 20 0 JJADRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001461188233 1067795639 /nfs/dbraw/zinc/79/56/39/1067795639.db2.gz COTDTTZDUUUXAR-YBTHPKLGSA-N 0 0 452.363 4.510 20 0 JJADRN COc1ccc([C@H](NCc2c3c(nn2C)CCSC3)c2ccccc2)cc1Br ZINC001461190369 1067795967 /nfs/dbraw/zinc/79/59/67/1067795967.db2.gz QENCFDHICQBEDK-JOCHJYFZSA-N 0 0 458.425 4.860 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)CC2=O)cc1 ZINC001461194741 1067797185 /nfs/dbraw/zinc/79/71/85/1067797185.db2.gz SVYHWIRQEZVKRR-CMCXCUNFSA-N 0 0 456.627 4.501 20 0 JJADRN Cn1nnc2c1CC[C@@H](NC(=O)c1ccc(Oc3cccc(Cl)c3Cl)c(Cl)c1)C2 ZINC001461194782 1067797219 /nfs/dbraw/zinc/79/72/19/1067797219.db2.gz VCEVNLIKUKOMHW-GFCCVEGCSA-N 0 0 451.741 4.855 20 0 JJADRN Cn1nnc2c1CC[C@H](NC(=O)c1ccc(Oc3cccc(Cl)c3Cl)c(Cl)c1)C2 ZINC001461194784 1067797281 /nfs/dbraw/zinc/79/72/81/1067797281.db2.gz VCEVNLIKUKOMHW-LBPRGKRZSA-N 0 0 451.741 4.855 20 0 JJADRN CC(C)[C@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)C(=O)OC(C)(C)C ZINC001461198572 1067797884 /nfs/dbraw/zinc/79/78/84/1067797884.db2.gz VEVKDVIAQYDTPA-INIZCTEOSA-N 0 0 454.995 4.960 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCS[C@@H](C(C)C)C2)CCOCC1 ZINC001546122414 1067798187 /nfs/dbraw/zinc/79/81/87/1067798187.db2.gz KMDRHXQREOOMKR-JOCHJYFZSA-N 0 0 485.698 4.932 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(F)(F)F ZINC001461208306 1067799693 /nfs/dbraw/zinc/79/96/93/1067799693.db2.gz WABGUOHYWSTGHH-ZDUSSCGKSA-N 0 0 459.292 4.724 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)s1 ZINC001461208781 1067799750 /nfs/dbraw/zinc/79/97/50/1067799750.db2.gz YCBXMWJBPNRLRB-INIZCTEOSA-N 0 0 458.502 4.821 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001461210111 1067800241 /nfs/dbraw/zinc/80/02/41/1067800241.db2.gz MQGZVKLEOJRYSA-KUHUBIRLSA-N 0 0 450.988 4.766 20 0 JJADRN O=C(CCCCCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 ZINC001461214712 1067800554 /nfs/dbraw/zinc/80/05/54/1067800554.db2.gz PDRYXWMKYZKMDA-UHFFFAOYSA-N 0 0 451.464 4.522 20 0 JJADRN CCNC(=O)Oc1cccc(OC(=O)c2cc(Br)c(C)cc2Br)c1 ZINC001461216612 1067801178 /nfs/dbraw/zinc/80/11/78/1067801178.db2.gz YVXKYGXEMAZARG-UHFFFAOYSA-N 0 0 457.118 4.848 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCCC1 ZINC001546122535 1067802239 /nfs/dbraw/zinc/80/22/39/1067802239.db2.gz NZGGHYWIRMBZJM-QFIPXVFZSA-N 0 0 494.684 4.811 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ncc(C)cc2C)c1 ZINC001461219488 1067802312 /nfs/dbraw/zinc/80/23/12/1067802312.db2.gz KDVQFHIHYBDKAW-UHFFFAOYSA-N 0 0 456.546 4.541 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CSc2cc(C)c(Br)cc2C)C[C@H]1c1ccccc1 ZINC001461224352 1067803791 /nfs/dbraw/zinc/80/37/91/1067803791.db2.gz ZIFXKEHUKORJOS-ZWKOTPCHSA-N 0 0 462.409 4.573 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CCCC1 ZINC001546122583 1067804440 /nfs/dbraw/zinc/80/44/40/1067804440.db2.gz PNGZRROPLYHYJV-UHFFFAOYSA-N 0 0 489.624 4.588 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCc2nccs2)CCC1 ZINC001546122582 1067804526 /nfs/dbraw/zinc/80/45/26/1067804526.db2.gz PMWBFRGTLOASLJ-UHFFFAOYSA-N 0 0 452.628 4.863 20 0 JJADRN O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001461230056 1067804998 /nfs/dbraw/zinc/80/49/98/1067804998.db2.gz OCFCKTHRLOQOFD-UHFFFAOYSA-N 0 0 450.848 4.671 20 0 JJADRN CC(C)(C)O[C@H]1C[C@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001461236798 1067806198 /nfs/dbraw/zinc/80/61/98/1067806198.db2.gz APKAEUJVSRMPBU-SAABIXHNSA-N 0 0 454.571 4.628 20 0 JJADRN CC(=O)N(c1nc(CNCCc2ccn(-c3ccc(F)cc3)n2)cs1)c1ccc(F)cc1 ZINC001461243224 1067807789 /nfs/dbraw/zinc/80/77/89/1067807789.db2.gz AMPYRXMCDCEUAQ-UHFFFAOYSA-N 0 0 453.518 4.624 20 0 JJADRN Cc1cc([C@H](CC(=O)NC[C@@H]2CCC3(CCCC3)O2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001461246503 1067808932 /nfs/dbraw/zinc/80/89/32/1067808932.db2.gz UIXJGAYARUWRQD-ROUUACIJSA-N 0 0 451.995 4.607 20 0 JJADRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)cc1 ZINC001461249268 1067809412 /nfs/dbraw/zinc/80/94/12/1067809412.db2.gz YRGWHTZDAXRQAH-CCLHPLFOSA-N 0 0 450.579 4.846 20 0 JJADRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)cc1 ZINC001461249271 1067809430 /nfs/dbraw/zinc/80/94/30/1067809430.db2.gz YRGWHTZDAXRQAH-HRFSGMKKSA-N 0 0 450.579 4.846 20 0 JJADRN CC(C)(C)c1coc(NC(=O)c2csc(I)c2Br)n1 ZINC001461251396 1067809741 /nfs/dbraw/zinc/80/97/41/1067809741.db2.gz QTOHLDLBJBBQJY-UHFFFAOYSA-N 0 0 455.115 4.653 20 0 JJADRN CCc1ccc([C@@H](NCc2snc(OC)c2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461253047 1067810246 /nfs/dbraw/zinc/81/02/46/1067810246.db2.gz JIDDUYHXRDTKHD-HXUWFJFHSA-N 0 0 451.013 4.650 20 0 JJADRN COCCOc1ccc(CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461256646 1067811488 /nfs/dbraw/zinc/81/14/88/1067811488.db2.gz METYRIPVISNEJU-XMMPIXPASA-N 0 0 459.995 4.648 20 0 JJADRN COc1ccc([C@H](NCc2cccc(OC3CC3)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461259250 1067812371 /nfs/dbraw/zinc/81/23/71/1067812371.db2.gz ZRVOFEOWDBMIQQ-VWLOTQADSA-N 0 0 455.551 4.658 20 0 JJADRN COc1cc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)ccc1Cl ZINC001461262414 1067813432 /nfs/dbraw/zinc/81/34/32/1067813432.db2.gz HWZJLRVKHNIGDP-QFIPXVFZSA-N 0 0 451.922 4.910 20 0 JJADRN O=C(c1cc(-c2cccc(Cl)c2)no1)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC001461265761 1067813985 /nfs/dbraw/zinc/81/39/85/1067813985.db2.gz NRXHBZCITROIQA-UHFFFAOYSA-N 0 0 458.703 4.723 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)Cc2cc(Cl)ccc2Br)C1 ZINC001461270071 1067815121 /nfs/dbraw/zinc/81/51/21/1067815121.db2.gz XUROQMZBAKTSOT-CQSZACIVSA-N 0 0 454.723 4.553 20 0 JJADRN Cc1c(NC(=O)c2ccc(I)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC001461272524 1067815753 /nfs/dbraw/zinc/81/57/53/1067815753.db2.gz ARNFZMWJBGGRBT-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CCc1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1 ZINC001461278560 1067816728 /nfs/dbraw/zinc/81/67/28/1067816728.db2.gz OHQYSWMGLCOFFJ-UHFFFAOYSA-N 0 0 456.995 4.653 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)c2ccccc21 ZINC001461281788 1067816989 /nfs/dbraw/zinc/81/69/89/1067816989.db2.gz GUOYXKPCNRBBMS-JWQCQUIFSA-N 0 0 458.558 4.890 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c2ccccc21 ZINC001461281463 1067817051 /nfs/dbraw/zinc/81/70/51/1067817051.db2.gz FVMCGRWUYVLBBS-NQIIRXRSSA-N 0 0 454.954 4.767 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001461287143 1067818534 /nfs/dbraw/zinc/81/85/34/1067818534.db2.gz GKYQIFJPHZTLKB-RDJZCZTQSA-N 0 0 455.521 4.823 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CCCC1 ZINC001461288304 1067819078 /nfs/dbraw/zinc/81/90/78/1067819078.db2.gz VTHRFFPZKUYOGS-PMACEKPBSA-N 0 0 458.599 4.758 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 ZINC001461289828 1067819526 /nfs/dbraw/zinc/81/95/26/1067819526.db2.gz NWNYTVJXUSELHR-HXUWFJFHSA-N 0 0 453.970 4.984 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC001461290419 1067819791 /nfs/dbraw/zinc/81/97/91/1067819791.db2.gz QFLIVZBXGLVLBR-OAHLLOKOSA-N 0 0 452.864 4.799 20 0 JJADRN CNC(=O)COc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC001461291239 1067819841 /nfs/dbraw/zinc/81/98/41/1067819841.db2.gz MQMWOILCPQHAAO-UHFFFAOYSA-N 0 0 455.352 4.765 20 0 JJADRN O=C(Nc1nccc(Br)c1Cl)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001461292959 1067820251 /nfs/dbraw/zinc/82/02/51/1067820251.db2.gz IOANWRGTCHJHNJ-INIZCTEOSA-N 0 0 459.152 4.718 20 0 JJADRN CC(=O)N(c1nc(CNc2cccc([C@@H](C)N3CCOCC3)c2)cs1)c1ccc(F)cc1 ZINC001461292287 1067820296 /nfs/dbraw/zinc/82/02/96/1067820296.db2.gz ZAWOEFUUCJUADM-QGZVFWFLSA-N 0 0 454.571 4.972 20 0 JJADRN CN(C(=O)Cc1coc(-c2ccccc2)n1)c1nccc(-c2sccc2Br)n1 ZINC001461292346 1067820394 /nfs/dbraw/zinc/82/03/94/1067820394.db2.gz RZNNFBRKMWTCDR-UHFFFAOYSA-N 0 0 455.337 4.828 20 0 JJADRN Cc1nnc(COc2ccc(NCc3cn(-c4cccc(Br)c4)nc3C)cc2)o1 ZINC001461294600 1067820813 /nfs/dbraw/zinc/82/08/13/1067820813.db2.gz GRWLKCKCCQLRRV-UHFFFAOYSA-N 0 0 454.328 4.826 20 0 JJADRN Cc1cn(-c2ccccc2)nc1C(=O)N(C)c1nccc(-c2sccc2Br)n1 ZINC001461296224 1067821096 /nfs/dbraw/zinc/82/10/96/1067821096.db2.gz FSVPSXWRFRMUTF-UHFFFAOYSA-N 0 0 454.353 4.738 20 0 JJADRN CN(Cc1ccccc1NCc1cc(Br)nn1C)C(=O)c1cc2ccccc2o1 ZINC001461297829 1067821584 /nfs/dbraw/zinc/82/15/84/1067821584.db2.gz VYFIHZUUHYCYOZ-UHFFFAOYSA-N 0 0 453.340 4.813 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)CCCc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC001461297850 1067821732 /nfs/dbraw/zinc/82/17/32/1067821732.db2.gz YSQDVRNLNSDGRX-YADHBBJMSA-N 0 0 451.563 4.857 20 0 JJADRN CC(C)COc1cccc(OCC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)c1 ZINC001461298977 1067821862 /nfs/dbraw/zinc/82/18/62/1067821862.db2.gz YDEFTFPBVXUJDS-UHFFFAOYSA-N 0 0 456.340 4.958 20 0 JJADRN CC(C)c1nn(C)c(Cl)c1C(=O)N(C)c1nccc(-c2sccc2Br)n1 ZINC001461300042 1067822680 /nfs/dbraw/zinc/82/26/80/1067822680.db2.gz WZBOUPXUFWKISQ-UHFFFAOYSA-N 0 0 454.781 4.755 20 0 JJADRN CC[C@@]1(c2ccc(NCc3ccc(OC)c(OCc4ccccc4)c3)cc2)CCC(=O)NC1=O ZINC001461302918 1067822934 /nfs/dbraw/zinc/82/29/34/1067822934.db2.gz DHXAYGYTFVINFR-NDEPHWFRSA-N 0 0 458.558 4.971 20 0 JJADRN CS(=O)(=O)CCSc1cc(Br)ccc1CNc1cc(F)cc(Cl)c1 ZINC001461312043 1067825502 /nfs/dbraw/zinc/82/55/02/1067825502.db2.gz WZEUXORTWQAECC-UHFFFAOYSA-N 0 0 452.798 4.990 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)c1cc(I)nn1C)C1CCC(C)CC1 ZINC001461310069 1067825639 /nfs/dbraw/zinc/82/56/39/1067825639.db2.gz WBRARJXQZWCDFA-TYJKZOGGSA-N 0 0 451.352 4.631 20 0 JJADRN COCCN(C(=O)c1cscc1C(F)F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461311309 1067825662 /nfs/dbraw/zinc/82/56/62/1067825662.db2.gz NSWPFCIOWNOUGN-UHFFFAOYSA-N 0 0 452.523 4.576 20 0 JJADRN CC[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)[C@@H](C)CO1 ZINC001461314164 1067825883 /nfs/dbraw/zinc/82/58/83/1067825883.db2.gz DQHKPWYGTKYUCP-BBRMVZONSA-N 0 0 450.486 4.654 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 ZINC001461317434 1067826719 /nfs/dbraw/zinc/82/67/19/1067826719.db2.gz GOJJXBMXFKJKKM-OAQYLSRUSA-N 0 0 452.986 4.823 20 0 JJADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001461321857 1067827485 /nfs/dbraw/zinc/82/74/85/1067827485.db2.gz SHNHZZIRBUOYMT-RUZDIDTESA-N 0 0 452.002 4.716 20 0 JJADRN Cn1ncc(Br)c1CN[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001461322275 1067827674 /nfs/dbraw/zinc/82/76/74/1067827674.db2.gz AEIUOMUNUSFWSK-SFHVURJKSA-N 0 0 453.153 4.963 20 0 JJADRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461323895 1067828174 /nfs/dbraw/zinc/82/81/74/1067828174.db2.gz AMLFRUCVVOPUSR-MHZLTWQESA-N 0 0 453.579 4.600 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NCc4ccc(OC)c(OC)c4F)cc32)c1 ZINC001461323346 1067828188 /nfs/dbraw/zinc/82/81/88/1067828188.db2.gz JSKMFMKTSIGJOW-UHFFFAOYSA-N 0 0 450.510 4.595 20 0 JJADRN Cc1cc(C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC001461326516 1067828957 /nfs/dbraw/zinc/82/89/57/1067828957.db2.gz WICMMQHDSGEKKY-VWLOTQADSA-N 0 0 453.970 4.864 20 0 JJADRN CN(C)c1ccc(-c2cncc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c3ccccc3)c2)cc1 ZINC001461327026 1067829023 /nfs/dbraw/zinc/82/90/23/1067829023.db2.gz YTESFHVTZFMBIF-MUUNZHRXSA-N 0 0 459.590 4.844 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC001461327076 1067829618 /nfs/dbraw/zinc/82/96/18/1067829618.db2.gz ZSBCESXXAXWKSF-QFIPXVFZSA-N 0 0 450.348 4.547 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCC1(c2ccccc2F)CCC1 ZINC001461327705 1067829886 /nfs/dbraw/zinc/82/98/86/1067829886.db2.gz IXIBYIBCAOTBSQ-LJQANCHMSA-N 0 0 458.599 4.549 20 0 JJADRN CC(=O)N(Cc1ccc(NCc2c(Br)cncc2Br)cc1)C1CC1 ZINC001461327683 1067829978 /nfs/dbraw/zinc/82/99/78/1067829978.db2.gz DOUHQOQJZJBZFP-UHFFFAOYSA-N 0 0 453.178 4.730 20 0 JJADRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCC1=Cc2cc(Br)ccc2OC1 ZINC001461331589 1067830780 /nfs/dbraw/zinc/83/07/80/1067830780.db2.gz IOYWOGWVHNYQNT-UHFFFAOYSA-N 0 0 455.274 4.938 20 0 JJADRN C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461337007 1067832470 /nfs/dbraw/zinc/83/24/70/1067832470.db2.gz YKQYPANAJGUKCZ-PXNSSMCTSA-N 0 0 459.562 4.955 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3csc(-c4ccccc4)n3)cc2)C1 ZINC001461340284 1067833456 /nfs/dbraw/zinc/83/34/56/1067833456.db2.gz DGPMXOWQBXUOHE-CALCHBBNSA-N 0 0 455.605 4.729 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001461342246 1067834255 /nfs/dbraw/zinc/83/42/55/1067834255.db2.gz LFKUICQJLILKET-XMMPIXPASA-N 0 0 458.558 4.887 20 0 JJADRN Cc1ccc(C2(NC(=O)C3CCN(C(=O)c4ccc(Br)cc4)CC3)CCC2)cc1 ZINC001461342857 1067834382 /nfs/dbraw/zinc/83/43/82/1067834382.db2.gz CPSYUMPBPRTJSO-UHFFFAOYSA-N 0 0 455.396 4.805 20 0 JJADRN Cc1ccc(OCCC(=O)N2CCCc3nc(Br)ccc32)c(Br)c1 ZINC001461344634 1067834860 /nfs/dbraw/zinc/83/48/60/1067834860.db2.gz LLOVFPWWFHAYFP-UHFFFAOYSA-N 0 0 454.162 4.663 20 0 JJADRN CCc1c(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cnn1-c1ccc(OC)cc1 ZINC001461347001 1067835389 /nfs/dbraw/zinc/83/53/89/1067835389.db2.gz IOPQDMQTCRWNEW-UHFFFAOYSA-N 0 0 459.377 4.713 20 0 JJADRN CC(C)O[C@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001461348878 1067835813 /nfs/dbraw/zinc/83/58/13/1067835813.db2.gz QERHKMUIVTXART-IBGZPJMESA-N 0 0 454.571 4.582 20 0 JJADRN Fc1cccnc1-n1ccc(NCc2cc(Br)ccc2OCc2ccccn2)n1 ZINC001461351211 1067836357 /nfs/dbraw/zinc/83/63/57/1067836357.db2.gz DZSVTOSAACDEFM-UHFFFAOYSA-N 0 0 454.303 4.755 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CNc2ccc(NC(C)=O)cc2OC)cc1Br ZINC001461353823 1067836932 /nfs/dbraw/zinc/83/69/32/1067836932.db2.gz ULWOESFKVJLNBK-GFCCVEGCSA-N 0 0 455.324 4.849 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001461357576 1067837592 /nfs/dbraw/zinc/83/75/92/1067837592.db2.gz MUGQADDVDZOBLC-DYVFJYSZSA-N 0 0 458.914 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(Cc3ccc(F)cc3)n2)C12CCCC2 ZINC001461360380 1067838346 /nfs/dbraw/zinc/83/83/46/1067838346.db2.gz IAZGEGZOCMJWRG-LJQANCHMSA-N 0 0 459.587 4.925 20 0 JJADRN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(Br)cnc1OCC1CC1 ZINC001461361234 1067838517 /nfs/dbraw/zinc/83/85/17/1067838517.db2.gz SXJQQIKBYHKWMI-UHFFFAOYSA-N 0 0 454.324 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC001461363587 1067838860 /nfs/dbraw/zinc/83/88/60/1067838860.db2.gz ZIZNIACGEOATPE-NLFFAJNJSA-N 0 0 455.530 4.666 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2cccc(OCC(F)(F)F)c2)C12CCCC2 ZINC001461365195 1067839246 /nfs/dbraw/zinc/83/92/46/1067839246.db2.gz RIBNEOFEPNLFAB-GOSISDBHSA-N 0 0 456.505 4.609 20 0 JJADRN Cc1cccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c1Br ZINC001461365199 1067839450 /nfs/dbraw/zinc/83/94/50/1067839450.db2.gz RIQHDGJLSZFNPN-KRWDZBQOSA-N 0 0 451.405 4.738 20 0 JJADRN Cn1cc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC001461367808 1067839717 /nfs/dbraw/zinc/83/97/17/1067839717.db2.gz FSGIWXLGRDADHE-UHFFFAOYSA-N 0 0 451.527 4.603 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC001461375501 1067841085 /nfs/dbraw/zinc/84/10/85/1067841085.db2.gz JJEDHDXZVZLCEK-XMMPIXPASA-N 0 0 451.586 4.713 20 0 JJADRN COC(=O)CC1(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)CC1 ZINC001461377224 1067841560 /nfs/dbraw/zinc/84/15/60/1067841560.db2.gz BATOPOTXGSLDGQ-UHFFFAOYSA-N 0 0 452.363 4.587 20 0 JJADRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOc2cc(Br)ccc21 ZINC001461379032 1067841918 /nfs/dbraw/zinc/84/19/18/1067841918.db2.gz ILDZWFFBMQEZQA-UHFFFAOYSA-N 0 0 454.202 4.557 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001461378366 1067841925 /nfs/dbraw/zinc/84/19/25/1067841925.db2.gz WIYMFYLJQQHIAA-KNQAVFIVSA-N 0 0 458.599 4.626 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCOc3cc(Br)ccc32)cc1 ZINC001461387041 1067844664 /nfs/dbraw/zinc/84/46/64/1067844664.db2.gz AZVJFVWBNSYNEC-UHFFFAOYSA-N 0 0 459.365 4.858 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NCc3ncc(Br)cc3Cl)cc2C1 ZINC001461390096 1067844967 /nfs/dbraw/zinc/84/49/67/1067844967.db2.gz CXOYPSAXDNAXJN-UHFFFAOYSA-N 0 0 453.768 4.798 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001461390010 1067845075 /nfs/dbraw/zinc/84/50/75/1067845075.db2.gz QJVYAXBQAOJFQF-UHFFFAOYSA-N 0 0 451.364 4.844 20 0 JJADRN COCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1C(F)(F)F ZINC001461395796 1067845877 /nfs/dbraw/zinc/84/58/77/1067845877.db2.gz YVZLQTLXKBOQEJ-CQSZACIVSA-N 0 0 457.246 4.679 20 0 JJADRN C[C@]1(CCNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C[C@@]1(F)Cl ZINC001461397499 1067845923 /nfs/dbraw/zinc/84/59/23/1067845923.db2.gz UFWXDSGKJAGVNZ-PMACEKPBSA-N 0 0 454.771 4.948 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)c2cnc(-c3cccnc3)s2)C1 ZINC001461399475 1067846265 /nfs/dbraw/zinc/84/62/65/1067846265.db2.gz TUPHYPLPNLJWIB-GOSISDBHSA-N 0 0 450.564 4.691 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)C1CCCCCC1 ZINC001461400870 1067846732 /nfs/dbraw/zinc/84/67/32/1067846732.db2.gz OLVUEABROGNHEW-LJQANCHMSA-N 0 0 452.979 4.933 20 0 JJADRN C[C@@H](Oc1ccc([C@H](C)NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1)c1ccccc1 ZINC001461400064 1067846744 /nfs/dbraw/zinc/84/67/44/1067846744.db2.gz WUWYJSNWKUKCKY-LEWJYISDSA-N 0 0 453.542 4.928 20 0 JJADRN CC(C)(C)c1cccc(OC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1Cl ZINC001461401895 1067847295 /nfs/dbraw/zinc/84/72/95/1067847295.db2.gz MICTXXGAJHANOZ-GOSISDBHSA-N 0 0 450.000 4.785 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)c1cc(Br)cc(I)c1)CC2 ZINC001461409146 1067848196 /nfs/dbraw/zinc/84/81/96/1067848196.db2.gz NYVMNWKIPVKXGC-UHFFFAOYSA-N 0 0 456.121 4.561 20 0 JJADRN CCCO[C@H](C(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1C ZINC001461410136 1067848684 /nfs/dbraw/zinc/84/86/84/1067848684.db2.gz KAKSJCRQTQPTMG-SFTDATJTSA-N 0 0 450.348 4.964 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001461414086 1067849925 /nfs/dbraw/zinc/84/99/25/1067849925.db2.gz BFSZBIDSNCGJAG-WCAVRKLYSA-N 0 0 454.533 4.794 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N(C3CCC3)C3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1 ZINC001461417364 1067850871 /nfs/dbraw/zinc/85/08/71/1067850871.db2.gz MQGOKYCBLPQATD-UHFFFAOYSA-N 0 0 451.567 4.680 20 0 JJADRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001461417414 1067851127 /nfs/dbraw/zinc/85/11/27/1067851127.db2.gz SKVCMGPOKYREGC-LPHOPBHVSA-N 0 0 452.439 4.783 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001461427778 1067853516 /nfs/dbraw/zinc/85/35/16/1067853516.db2.gz HOQVEGRNQFRVQX-MRXNPFEDSA-N 0 0 459.534 4.551 20 0 JJADRN COCC(=O)N1CCc2c1cccc2NCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC001461426016 1067853556 /nfs/dbraw/zinc/85/35/56/1067853556.db2.gz YOOBDTZNJJZXOH-UHFFFAOYSA-N 0 0 459.377 4.694 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)C1 ZINC001461430086 1067854108 /nfs/dbraw/zinc/85/41/08/1067854108.db2.gz CJCQDARSLXQDBD-SFHVURJKSA-N 0 0 451.498 4.887 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CCSc1ccc2c(c1)OCCO2 ZINC001461434319 1067855384 /nfs/dbraw/zinc/85/53/84/1067855384.db2.gz VLDPKLAQWXIDKZ-OYHNWAKOSA-N 0 0 478.408 4.691 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)n1 ZINC001461434339 1067855393 /nfs/dbraw/zinc/85/53/93/1067855393.db2.gz WJJMMERILMHNGJ-IBGZPJMESA-N 0 0 451.489 4.799 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)n1 ZINC001461434348 1067855503 /nfs/dbraw/zinc/85/55/03/1067855503.db2.gz WJJMMERILMHNGJ-LJQANCHMSA-N 0 0 451.489 4.799 20 0 JJADRN CN1CCN(c2ccc(NCc3c(F)cccc3Br)cc2Br)CC1 ZINC001461433252 1067855533 /nfs/dbraw/zinc/85/55/33/1067855533.db2.gz ISTCAYHDVZHTSZ-UHFFFAOYSA-N 0 0 457.185 4.715 20 0 JJADRN CNC(=O)Oc1cccc(OC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)c1 ZINC001461434936 1067855849 /nfs/dbraw/zinc/85/58/49/1067855849.db2.gz DVBMKDIQLFBTGN-UHFFFAOYSA-N 0 0 457.486 4.794 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)CC[C@@H](C)CC1 ZINC001461439469 1067856751 /nfs/dbraw/zinc/85/67/51/1067856751.db2.gz HMJKEWYVGHTQOE-MRAWUWRDSA-N 0 0 452.382 4.577 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)CCCC1 ZINC001546124289 1067856779 /nfs/dbraw/zinc/85/67/79/1067856779.db2.gz QWJUQAXFIRBWTQ-UHFFFAOYSA-N 0 0 466.674 4.749 20 0 JJADRN Cc1ccc(-c2ccccc2CNc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c(C)c1 ZINC001461439969 1067856793 /nfs/dbraw/zinc/85/67/93/1067856793.db2.gz XUVWDARUWXFKDR-UHFFFAOYSA-N 0 0 450.604 4.728 20 0 JJADRN O=C(c1ccc(OC2CCCC2)cc1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461442943 1067857770 /nfs/dbraw/zinc/85/77/70/1067857770.db2.gz ABNIGBZVIAWKNC-RXVVDRJESA-N 0 0 452.517 4.804 20 0 JJADRN COc1ccc(Cn2ccc(NCc3csc(N(C(C)=O)c4ccc(F)cc4)n3)n2)cc1 ZINC001461447372 1067858538 /nfs/dbraw/zinc/85/85/38/1067858538.db2.gz CWUUWRZUOXBLEU-UHFFFAOYSA-N 0 0 451.527 4.832 20 0 JJADRN O=C(c1cc2ccccc2c(Cl)n1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448171 1067859011 /nfs/dbraw/zinc/85/90/11/1067859011.db2.gz OOSLCONZIYXYKP-YJBOKZPZSA-N 0 0 453.892 4.684 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447580 1067859091 /nfs/dbraw/zinc/85/90/91/1067859091.db2.gz NKWYNWWTUNMEQE-ZBEGNZNMSA-N 0 0 455.279 4.928 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447579 1067859156 /nfs/dbraw/zinc/85/91/56/1067859156.db2.gz NKWYNWWTUNMEQE-MEDUHNTESA-N 0 0 455.279 4.928 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCCc2cc(C(=O)OC(C)(C)C)ccc21)c1ccc(Cl)cc1 ZINC001461448672 1067859527 /nfs/dbraw/zinc/85/95/27/1067859527.db2.gz AMZKXGCOVKNAHH-OAQYLSRUSA-N 0 0 456.970 4.842 20 0 JJADRN O=C(COc1ccc(Br)cc1F)Nc1nc(Br)cc2ccccc21 ZINC001461455218 1067860634 /nfs/dbraw/zinc/86/06/34/1067860634.db2.gz DORZNDPCIILMCP-UHFFFAOYSA-N 0 0 454.093 4.916 20 0 JJADRN O=S(=O)(CCNCc1sc(Sc2ccccc2)nc1Cl)CCc1ccccc1 ZINC001461457713 1067860680 /nfs/dbraw/zinc/86/06/80/1067860680.db2.gz GEXGSDNPGAXTDR-UHFFFAOYSA-N 0 0 453.054 4.695 20 0 JJADRN CCSc1cc(CNCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)ccn1 ZINC001461457522 1067861230 /nfs/dbraw/zinc/86/12/30/1067861230.db2.gz QVGPJKHNAHWNDT-UHFFFAOYSA-N 0 0 456.439 4.501 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC001546124510 1067861295 /nfs/dbraw/zinc/86/12/95/1067861295.db2.gz YBXMCDPZBLMDKI-HXUWFJFHSA-N 0 0 477.447 4.949 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)Nc2nc(Br)cc3ccccc32)C1)OCc1ccccc1 ZINC001461456305 1067861304 /nfs/dbraw/zinc/86/13/04/1067861304.db2.gz OXZVQTDFQYBZMZ-CALCHBBNSA-N 0 0 454.324 4.641 20 0 JJADRN COc1ccc(CNCc2ccc(Cl)cc2I)c(OC(F)F)c1 ZINC001461463383 1067862597 /nfs/dbraw/zinc/86/25/97/1067862597.db2.gz RBAZPHPHFUTTLD-UHFFFAOYSA-N 0 0 453.654 4.844 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1Cl ZINC001461462988 1067862672 /nfs/dbraw/zinc/86/26/72/1067862672.db2.gz HRAWJFBTJLANSM-HSZRJFAPSA-N 0 0 456.905 4.523 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1Cl ZINC001461462992 1067862786 /nfs/dbraw/zinc/86/27/86/1067862786.db2.gz HRAWJFBTJLANSM-QHCPKHFHSA-N 0 0 456.905 4.523 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001461464682 1067863339 /nfs/dbraw/zinc/86/33/39/1067863339.db2.gz YMVJQAUEMLZKGP-UHFFFAOYSA-N 0 0 457.905 4.546 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(NCc2cnc(N3CCCC3)nc2)cc(C(F)(F)F)c1 ZINC001461465446 1067863761 /nfs/dbraw/zinc/86/37/61/1067863761.db2.gz TVJLNXAGIBCURO-UHFFFAOYSA-N 0 0 451.493 4.732 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001461467674 1067864405 /nfs/dbraw/zinc/86/44/05/1067864405.db2.gz OUVDKUZTYNRCER-GOSISDBHSA-N 0 0 458.381 4.926 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C/c2ccccc2)cc1F ZINC001461470311 1067865201 /nfs/dbraw/zinc/86/52/01/1067865201.db2.gz JFZSVBWEIXQWMK-AJKUUOFVSA-N 0 0 454.542 4.757 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@@H]2Cc3cccc(C)c3O2)cc1 ZINC001461472576 1067866601 /nfs/dbraw/zinc/86/66/01/1067866601.db2.gz DXHTZSKZZNKGIA-HJOGWXRNSA-N 0 0 480.605 4.607 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)(C1CCC1)C(F)(F)F ZINC001461473859 1067867350 /nfs/dbraw/zinc/86/73/50/1067867350.db2.gz MITMUZMGTSKLDU-GOSISDBHSA-N 0 0 450.379 4.591 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Cl)ncc2C)cc1 ZINC001461474824 1067867372 /nfs/dbraw/zinc/86/73/72/1067867372.db2.gz HQTLOUFQPJDHHW-ICSRJNTNSA-N 0 0 459.974 4.575 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001461473950 1067867428 /nfs/dbraw/zinc/86/74/28/1067867428.db2.gz GVCIECSVJMNGJL-ZNEWLNCYSA-N 0 0 474.642 4.890 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)[C@H]2CCc3ccccc3C2)cc1 ZINC001461475154 1067868011 /nfs/dbraw/zinc/86/80/11/1067868011.db2.gz IUHGMGVRWXKZOX-HVCNVCAESA-N 0 0 464.606 4.710 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC001461476192 1067868407 /nfs/dbraw/zinc/86/84/07/1067868407.db2.gz LDHIXIQDRMDERK-RAXKFLFSSA-N 0 0 471.985 4.666 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H]2CSCc3ccc(Br)cc32)c1Br ZINC001461476442 1067868443 /nfs/dbraw/zinc/86/84/43/1067868443.db2.gz TVJSXLXOUUHBKO-AWEZNQCLSA-N 0 0 459.207 4.707 20 0 JJADRN CO[C@@](C)(CNC(=O)c1ccc(Br)cc1OC(C)C)COCc1ccccc1 ZINC001461477145 1067868538 /nfs/dbraw/zinc/86/85/38/1067868538.db2.gz PDSYHJCYEVBMCW-QFIPXVFZSA-N 0 0 450.373 4.588 20 0 JJADRN CCCOc1cccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 ZINC001461476900 1067868896 /nfs/dbraw/zinc/86/88/96/1067868896.db2.gz KQUCAVNLTHTELI-DNQXCXABSA-N 0 0 452.595 4.927 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC001461477437 1067869154 /nfs/dbraw/zinc/86/91/54/1067869154.db2.gz NLOMWWFRKRQBSF-QLBRKBSLSA-N 0 0 474.642 4.746 20 0 JJADRN CCOC(=O)[C@](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)(C1CCC1)C(F)(F)F ZINC001461478473 1067869599 /nfs/dbraw/zinc/86/95/99/1067869599.db2.gz URORNTAWQWCHPT-JOCHJYFZSA-N 0 0 453.457 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)C1 ZINC001461479094 1067869952 /nfs/dbraw/zinc/86/99/52/1067869952.db2.gz QQVLFXDSLBWGHH-XMSQKQJNSA-N 0 0 465.525 4.603 20 0 JJADRN CC[C@]1(Cc2ccccc2)CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001461479045 1067869980 /nfs/dbraw/zinc/86/99/80/1067869980.db2.gz MWKBBVYMYXAAHV-HSZRJFAPSA-N 0 0 458.400 4.975 20 0 JJADRN CC[C@H](C(=O)N[C@H](C(=O)OC)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001461480336 1067870320 /nfs/dbraw/zinc/87/03/20/1067870320.db2.gz BFKTVQRPFCDABC-YOEHRIQHSA-N 0 0 458.274 4.992 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCCc2ccccc2)cc1 ZINC001461481553 1067871333 /nfs/dbraw/zinc/87/13/33/1067871333.db2.gz ZJJHLTCJZTWGKF-ZEQRLZLVSA-N 0 0 452.595 4.927 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 ZINC001461482562 1067871581 /nfs/dbraw/zinc/87/15/81/1067871581.db2.gz AAFWEXGBWRXWRZ-UHFFFAOYSA-N 0 0 456.424 4.550 20 0 JJADRN COc1ccc(NCc2cnn(Cc3ccccc3)c2Cl)c(I)c1 ZINC001461487916 1067872995 /nfs/dbraw/zinc/87/29/95/1067872995.db2.gz JZENCFCSCPKGMN-UHFFFAOYSA-N 0 0 453.711 4.810 20 0 JJADRN O=S(=O)(c1cccc(NCc2c(Cl)cccc2Oc2ccccc2)c1)N1CCOCC1 ZINC001461488539 1067873419 /nfs/dbraw/zinc/87/34/19/1067873419.db2.gz SMMFUSIEIRHBBH-UHFFFAOYSA-N 0 0 458.967 4.765 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001461488200 1067873694 /nfs/dbraw/zinc/87/36/94/1067873694.db2.gz QHNMMFYYPUIOCM-UHFFFAOYSA-N 0 0 451.514 4.510 20 0 JJADRN CCCCNS(=O)(=O)c1cccc(NCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC001461489401 1067873890 /nfs/dbraw/zinc/87/38/90/1067873890.db2.gz BUQSXULEPUTQMA-UHFFFAOYSA-N 0 0 452.624 4.916 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001461490924 1067874616 /nfs/dbraw/zinc/87/46/16/1067874616.db2.gz FJCHHKPOFJHWJF-NSHDSACASA-N 0 0 451.310 4.643 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(OC(F)F)cc1F ZINC001461492685 1067875192 /nfs/dbraw/zinc/87/51/92/1067875192.db2.gz GUCOGAWPLNNGFB-UHFFFAOYSA-N 0 0 458.502 4.613 20 0 JJADRN COc1ccc(NCc2cc3ccnc(Cl)c3s2)cc1S(=O)(=O)N1CCCCC1 ZINC001461495073 1067875862 /nfs/dbraw/zinc/87/58/62/1067875862.db2.gz PHRPCGRYDMMYSR-UHFFFAOYSA-N 0 0 452.001 4.745 20 0 JJADRN O=C(OCc1cnc(-c2ccccc2)nc1)c1ccc(I)cc1Cl ZINC001461494957 1067875991 /nfs/dbraw/zinc/87/59/91/1067875991.db2.gz KQSFAWPTZJQPOU-UHFFFAOYSA-N 0 0 450.663 4.759 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(C)c(OC(F)F)c(C)c1 ZINC001461496591 1067876216 /nfs/dbraw/zinc/87/62/16/1067876216.db2.gz WYXDYSOOSZLORP-UHFFFAOYSA-N 0 0 454.539 4.700 20 0 JJADRN O=C(Nc1cccc2c1ccn2C(F)F)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001461496790 1067876259 /nfs/dbraw/zinc/87/62/59/1067876259.db2.gz QHSMLVKJGSPNDN-UHFFFAOYSA-N 0 0 451.470 4.602 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(-c3c(F)cccc3F)o2)c1 ZINC001461498027 1067876516 /nfs/dbraw/zinc/87/65/16/1067876516.db2.gz SKPCITWSRKSVOA-UHFFFAOYSA-N 0 0 450.507 4.876 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3CCC[C@]3(C)Cc3ccccc3Cl)nn2C)cc1OC ZINC001461501935 1067877452 /nfs/dbraw/zinc/87/74/52/1067877452.db2.gz FXDYSXILXCLWPO-RUZDIDTESA-N 0 0 453.970 4.995 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C(=O)c1csc(-c2ccccn2)n1 ZINC001461503299 1067877743 /nfs/dbraw/zinc/87/77/43/1067877743.db2.gz GRNDSVHKMGZJES-QGZVFWFLSA-N 0 0 450.564 4.691 20 0 JJADRN COCOc1ccc(OC)cc1CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CCO ZINC001461520905 1067880445 /nfs/dbraw/zinc/88/04/45/1067880445.db2.gz NBBVLJOPYVPWCZ-CQSZACIVSA-N 0 0 453.461 4.602 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC001461522870 1067881064 /nfs/dbraw/zinc/88/10/64/1067881064.db2.gz MURSKKIRJFCAHR-VLIAUNLRSA-N 0 0 458.400 4.653 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC001461522866 1067881146 /nfs/dbraw/zinc/88/11/46/1067881146.db2.gz MURSKKIRJFCAHR-VBKZILBWSA-N 0 0 458.400 4.653 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(OCCn3ccnc3)c(Cl)c2)cn1 ZINC001461528588 1067882012 /nfs/dbraw/zinc/88/20/12/1067882012.db2.gz FSEIMIQSXSFFPM-UHFFFAOYSA-N 0 0 457.962 4.994 20 0 JJADRN Cc1ccc2ncc(C(=O)O[C@@H](c3ccc(Br)cc3C)C(F)(F)F)c(=O)n2c1 ZINC001461532267 1067882653 /nfs/dbraw/zinc/88/26/53/1067882653.db2.gz YRBAPKPNZRRTFZ-INIZCTEOSA-N 0 0 455.230 4.534 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC001461534903 1067883371 /nfs/dbraw/zinc/88/33/71/1067883371.db2.gz FNVGGBSIOIIZKV-UHFFFAOYSA-N 0 0 455.765 4.999 20 0 JJADRN CNC(=O)c1cc(Oc2ccc(NCc3cccc(OCc4ccccn4)c3)cc2F)ccn1 ZINC001461538112 1067884259 /nfs/dbraw/zinc/88/42/59/1067884259.db2.gz IIIGXRHFWBMDFO-UHFFFAOYSA-N 0 0 458.493 4.959 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccccc3Sc3ccccc3)CC(=O)N2C(C)(C)C)cn1 ZINC001461541438 1067884637 /nfs/dbraw/zinc/88/46/37/1067884637.db2.gz MPTMRJYGROQCJG-KOSHJBKYSA-N 0 0 462.619 4.689 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001461540454 1067884802 /nfs/dbraw/zinc/88/48/02/1067884802.db2.gz JTKDGKJKTUXQJA-GJZUVCINSA-N 0 0 472.633 4.869 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)CCCc3cc(Cl)sc3Cl)CC(=O)N2C(C)(C)C)cn1 ZINC001461542551 1067885243 /nfs/dbraw/zinc/88/52/43/1067885243.db2.gz PFHVMEUSPIFQIX-KUHUBIRLSA-N 0 0 471.454 4.616 20 0 JJADRN COc1ccc(-c2cc(NCc3cc(C)c(OCc4ccccn4)c(C)c3)n(CCO)n2)cc1 ZINC001461544348 1067885785 /nfs/dbraw/zinc/88/57/85/1067885785.db2.gz QYFUPPJVGHWMSG-UHFFFAOYSA-N 0 0 458.562 4.754 20 0 JJADRN O=C(Nc1nccc(F)c1I)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001461547530 1067886244 /nfs/dbraw/zinc/88/62/44/1067886244.db2.gz GSDHSMRPRFJYOH-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ncccc3C(=O)OC(C)(C)C)s2)cc1 ZINC001461558324 1067887982 /nfs/dbraw/zinc/88/79/82/1067887982.db2.gz LITJNCDPSRNOBH-UHFFFAOYSA-N 0 0 453.520 4.612 20 0 JJADRN O=C(Nc1nccc(F)c1I)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001461560420 1067888442 /nfs/dbraw/zinc/88/84/42/1067888442.db2.gz VJQGBWTYIZHDRD-DTWKUNHWSA-N 0 0 451.066 4.874 20 0 JJADRN CCOc1c(OC)cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)cc1OC ZINC001461563082 1067888826 /nfs/dbraw/zinc/88/88/26/1067888826.db2.gz AXLSHQYIZLRNTC-CYBMUJFWSA-N 0 0 453.461 4.636 20 0 JJADRN CN(C)C(=O)COc1ccccc1CNc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001461563294 1067889171 /nfs/dbraw/zinc/88/91/71/1067889171.db2.gz GDNGBRPFYVNGCU-VWLOTQADSA-N 0 0 457.574 4.743 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNc1ccc2c(c1)S(=O)(=O)CC2 ZINC001461566754 1067890498 /nfs/dbraw/zinc/89/04/98/1067890498.db2.gz XRJNVBAHCRXLHA-UHFFFAOYSA-N 0 0 455.889 4.795 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2cc(Br)ccc2F)C12CCC2 ZINC001461574308 1067891860 /nfs/dbraw/zinc/89/18/60/1067891860.db2.gz JHPXYLQJCZJYIH-KRWDZBQOSA-N 0 0 455.368 4.569 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001461580240 1067892908 /nfs/dbraw/zinc/89/29/08/1067892908.db2.gz LLFFIJACDRDADF-VQMLKYHISA-N 0 0 470.635 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CSc2ccc(Br)cc2)C12CCC2 ZINC001461579621 1067893000 /nfs/dbraw/zinc/89/30/00/1067893000.db2.gz VDNQIFSSKPCHDN-MRXNPFEDSA-N 0 0 455.418 4.590 20 0 JJADRN CCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1cccnc1 ZINC001461580142 1067893138 /nfs/dbraw/zinc/89/31/38/1067893138.db2.gz JLJQSUWDZQDOPW-QGZVFWFLSA-N 0 0 450.004 4.603 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CCC1 ZINC001546125474 1067893620 /nfs/dbraw/zinc/89/36/20/1067893620.db2.gz FOIIECVKBQFKDT-VQTJNVASSA-N 0 0 471.621 4.879 20 0 JJADRN CC(=O)c1ccc(OCCCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC001461583014 1067893996 /nfs/dbraw/zinc/89/39/96/1067893996.db2.gz PIVBSEONXYWUCH-AREMUKBSSA-N 0 0 456.542 4.562 20 0 JJADRN O=C(NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1c(Cl)nccc1C(F)(F)F ZINC001461583053 1067894108 /nfs/dbraw/zinc/89/41/08/1067894108.db2.gz QHHNTWFYRBOIPX-GOSISDBHSA-N 0 0 459.855 4.881 20 0 JJADRN O=C(CSCC(F)(F)F)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001461587000 1067894802 /nfs/dbraw/zinc/89/48/02/1067894802.db2.gz CQRCTYRPDLYYNM-UHFFFAOYSA-N 0 0 451.293 4.683 20 0 JJADRN COc1cc(CC(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)ccc1C ZINC001461586845 1067894962 /nfs/dbraw/zinc/89/49/62/1067894962.db2.gz BDSMYDPDEWEAKD-UHFFFAOYSA-N 0 0 457.353 4.947 20 0 JJADRN Brc1cc(NCc2cn(C[C@H]3CCOC3)nn2)ccc1SCc1ccccc1 ZINC001461593051 1067896205 /nfs/dbraw/zinc/89/62/05/1067896205.db2.gz SADKRTRPPAHPHF-QGZVFWFLSA-N 0 0 459.413 4.982 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001461596107 1067896907 /nfs/dbraw/zinc/89/69/07/1067896907.db2.gz OAPSYFQYQOUSEK-HSZRJFAPSA-N 0 0 459.924 4.872 20 0 JJADRN O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461594907 1067897029 /nfs/dbraw/zinc/89/70/29/1067897029.db2.gz BHZJUNPRTBKALQ-MRXNPFEDSA-N 0 0 450.201 4.960 20 0 JJADRN O=C(CCc1ccc(Br)cc1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461595319 1067897174 /nfs/dbraw/zinc/89/71/74/1067897174.db2.gz DTBBJYCSXCHOLQ-GOSISDBHSA-N 0 0 453.174 4.744 20 0 JJADRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C12CCC2 ZINC001461596875 1067897366 /nfs/dbraw/zinc/89/73/66/1067897366.db2.gz KTLYRUIBLYFYID-SJORKVTESA-N 0 0 450.352 4.630 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C(=O)OC)CC2)CCCC1 ZINC001546125616 1067897515 /nfs/dbraw/zinc/89/75/15/1067897515.db2.gz HYFBAMRZILPZLQ-GOSISDBHSA-N 0 0 458.578 4.917 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC001546125620 1067898047 /nfs/dbraw/zinc/89/80/47/1067898047.db2.gz HYMZTELPXDBNMU-RBUKOAKNSA-N 0 0 460.594 4.768 20 0 JJADRN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001461598574 1067898095 /nfs/dbraw/zinc/89/80/95/1067898095.db2.gz WYLOIKOYKPUVIL-INIZCTEOSA-N 0 0 450.201 4.960 20 0 JJADRN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)c1ccc(I)cc1 ZINC001461604249 1067899812 /nfs/dbraw/zinc/89/98/12/1067899812.db2.gz GQWQIWNZZFSIPF-UHFFFAOYSA-N 0 0 456.255 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001461607581 1067900773 /nfs/dbraw/zinc/90/07/73/1067900773.db2.gz MYFFIFCMZHEHBT-SJKOYZFVSA-N 0 0 455.502 4.546 20 0 JJADRN Cc1cc(I)cc(C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)c1 ZINC001461610282 1067901229 /nfs/dbraw/zinc/90/12/29/1067901229.db2.gz SNNWOASBWQDRGZ-SFHVURJKSA-N 0 0 453.295 4.731 20 0 JJADRN Fc1ccc(OCc2ccc(CNCc3ncc(I)s3)cc2)cc1 ZINC001461610049 1067901275 /nfs/dbraw/zinc/90/12/75/1067901275.db2.gz RUSXLMLTPAJZTL-UHFFFAOYSA-N 0 0 454.308 4.756 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001546125713 1067901612 /nfs/dbraw/zinc/90/16/12/1067901612.db2.gz JTSZHYKALWLSGI-IAGOWNOFSA-N 0 0 469.527 4.820 20 0 JJADRN O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCCCc2cc(Cl)ccc21 ZINC001461612656 1067901837 /nfs/dbraw/zinc/90/18/37/1067901837.db2.gz QCUJCNLZZBHCPL-LGMDPLHJSA-N 0 0 459.011 4.722 20 0 JJADRN C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612816 1067901843 /nfs/dbraw/zinc/90/18/43/1067901843.db2.gz LTRCXBGZHQUURU-REWPJTCUSA-N 0 0 456.030 4.752 20 0 JJADRN C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001461612815 1067901883 /nfs/dbraw/zinc/90/18/83/1067901883.db2.gz LTRCXBGZHQUURU-OFNKIYASSA-N 0 0 456.030 4.752 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CNc2cc(S(N)(=O)=O)ccc2N(C)C)cc1C ZINC001461613272 1067902246 /nfs/dbraw/zinc/90/22/46/1067902246.db2.gz PTFDDNSJDHWDCI-UHFFFAOYSA-N 0 0 453.608 4.516 20 0 JJADRN O=C(NCCCCCCc1ccccc1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001461619278 1067902998 /nfs/dbraw/zinc/90/29/98/1067902998.db2.gz FLWCBTILXBJJFC-UHFFFAOYSA-N 0 0 451.880 4.867 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)Cc1ccc(Br)cc1)CCC2 ZINC001461626189 1067904336 /nfs/dbraw/zinc/90/43/36/1067904336.db2.gz CSTGUAJQOWMGRA-UHFFFAOYSA-N 0 0 459.384 4.996 20 0 JJADRN C[C@@]1(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)COc2ccccc2O1 ZINC001461627402 1067904841 /nfs/dbraw/zinc/90/48/41/1067904841.db2.gz IFULXUUCTGJIDY-INIZCTEOSA-N 0 0 450.182 4.655 20 0 JJADRN CCOC(=O)c1cc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)[nH]c1C ZINC001461630545 1067905682 /nfs/dbraw/zinc/90/56/82/1067905682.db2.gz RIVKKBXPVNVGKF-UHFFFAOYSA-N 0 0 453.186 4.552 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632874 1067905949 /nfs/dbraw/zinc/90/59/49/1067905949.db2.gz MPGXXVKPSHWTHH-ZWKOTPCHSA-N 0 0 456.505 4.738 20 0 JJADRN COc1ccccc1OCCC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC001461632105 1067906141 /nfs/dbraw/zinc/90/61/41/1067906141.db2.gz ZJYRVWIPABDTJE-UHFFFAOYSA-N 0 0 452.198 4.903 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)cc1F ZINC001461636370 1067906958 /nfs/dbraw/zinc/90/69/58/1067906958.db2.gz AOTJLWMUNQHUKN-ZWKOTPCHSA-N 0 0 451.494 4.763 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 ZINC001461646557 1067908949 /nfs/dbraw/zinc/90/89/49/1067908949.db2.gz DPPDOZLGKNVXQA-GZGNHOFSSA-N 0 0 450.579 4.733 20 0 JJADRN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 ZINC001461646564 1067908992 /nfs/dbraw/zinc/90/89/92/1067908992.db2.gz DPPDOZLGKNVXQA-RSEQLOHWSA-N 0 0 450.579 4.733 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461651074 1067910115 /nfs/dbraw/zinc/91/01/15/1067910115.db2.gz UTCFVCKFAFDFFM-UHFFFAOYSA-N 0 0 454.090 4.898 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461651137 1067910152 /nfs/dbraw/zinc/91/01/52/1067910152.db2.gz KVTFTJCBNZDDIJ-UYAOXDASSA-N 0 0 467.651 4.708 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461651907 1067910156 /nfs/dbraw/zinc/91/01/56/1067910156.db2.gz LIYQCIRVNJEIQQ-OXQOHEQNSA-N 0 0 481.037 4.979 20 0 JJADRN COCc1c(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC001461650954 1067910194 /nfs/dbraw/zinc/91/01/94/1067910194.db2.gz IEYMMAYAJCPICT-CABCVRRESA-N 0 0 450.576 4.952 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461652773 1067910334 /nfs/dbraw/zinc/91/03/34/1067910334.db2.gz TUPLNACGROCYDX-PBHICJAKSA-N 0 0 473.492 4.563 20 0 JJADRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461652680 1067910370 /nfs/dbraw/zinc/91/03/70/1067910370.db2.gz SFPWXZNGCKPAPV-CTNGQTDRSA-N 0 0 470.614 4.673 20 0 JJADRN COc1cc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC001461652164 1067910482 /nfs/dbraw/zinc/91/04/82/1067910482.db2.gz ZTIONKKREDZURF-SIKLNZKXSA-N 0 0 453.970 4.802 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC001461652162 1067910491 /nfs/dbraw/zinc/91/04/91/1067910491.db2.gz ZTIONKKREDZURF-KNQAVFIVSA-N 0 0 453.970 4.802 20 0 JJADRN C[C@@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)c1cc(F)c(Br)cc1F ZINC001461659450 1067912224 /nfs/dbraw/zinc/91/22/24/1067912224.db2.gz SIPPJFFLKGQSSX-CYBMUJFWSA-N 0 0 455.299 4.563 20 0 JJADRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(Br)cc1Br ZINC001461661785 1067912540 /nfs/dbraw/zinc/91/25/40/1067912540.db2.gz PLMMEYDVDUNWFD-UKRRQHHQSA-N 0 0 479.090 4.876 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001461662102 1067912946 /nfs/dbraw/zinc/91/29/46/1067912946.db2.gz NOCSIMRGVKQLTC-VQIMIIECSA-N 0 0 456.999 4.837 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)CCCC1 ZINC001546126103 1067913375 /nfs/dbraw/zinc/91/33/75/1067913375.db2.gz QVZWBWGWCSGJKV-LJQANCHMSA-N 0 0 492.661 4.931 20 0 JJADRN Brc1cc(I)cc(NCc2nccn2-c2ccccc2)c1 ZINC001461674004 1067915529 /nfs/dbraw/zinc/91/55/29/1067915529.db2.gz YXFSJHPNEXRKQK-UHFFFAOYSA-N 0 0 454.109 4.852 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675360 1067916039 /nfs/dbraw/zinc/91/60/39/1067916039.db2.gz AHNTYFGJRGPHPW-NRFANRHFSA-N 0 0 452.986 4.662 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)NC[C@H]3CCN3Cc3ccc(OC)cc3)cs2)cc1 ZINC001461676582 1067916538 /nfs/dbraw/zinc/91/65/38/1067916538.db2.gz GGILWSLTORYIPA-HXUWFJFHSA-N 0 0 451.592 4.612 20 0 JJADRN O=C(N[C@H]1CCCSc2ccc(Br)cc21)C(=O)c1cnn(-c2ccccc2)c1 ZINC001461683357 1067917794 /nfs/dbraw/zinc/91/77/94/1067917794.db2.gz XXRHNWHWYABIRH-SFHVURJKSA-N 0 0 456.365 4.561 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001461687426 1067918324 /nfs/dbraw/zinc/91/83/24/1067918324.db2.gz PMRSOWQBLRHRMW-FAOGRTBUSA-N 0 0 459.365 4.537 20 0 JJADRN O=C1[C@@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1c1ccc(Cl)cc1F ZINC001461688308 1067918737 /nfs/dbraw/zinc/91/87/37/1067918737.db2.gz VPEUJMDWQOQWEZ-SFHVURJKSA-N 0 0 452.839 4.579 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461694627 1067920089 /nfs/dbraw/zinc/92/00/89/1067920089.db2.gz ZUVNGEKZCRSDPE-QGZVFWFLSA-N 0 0 451.974 4.575 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461695240 1067920370 /nfs/dbraw/zinc/92/03/70/1067920370.db2.gz YWPBGUZRMLYYJY-NIKGAXFTSA-N 0 0 479.802 4.727 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CNCc2cc3c([nH]c2=O)CCCC3)cc1Br ZINC001461699835 1067921270 /nfs/dbraw/zinc/92/12/70/1067921270.db2.gz OFECTDVPXRFLKX-ZDUSSCGKSA-N 0 0 453.352 4.539 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC001461705656 1067922358 /nfs/dbraw/zinc/92/23/58/1067922358.db2.gz OJAWJZZDPCFCOA-QFIPXVFZSA-N 0 0 454.954 4.548 20 0 JJADRN O=C1COc2cc(Br)cc(NCc3oc4ccccc4c3Br)c2N1 ZINC001461709726 1067923237 /nfs/dbraw/zinc/92/32/37/1067923237.db2.gz LQSCEYGQHKUZKX-UHFFFAOYSA-N 0 0 452.102 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)CCCC[C@H]12 ZINC001461714615 1067923642 /nfs/dbraw/zinc/92/36/42/1067923642.db2.gz JGTQMSYHIHJLSL-QSEAXJEQSA-N 0 0 472.626 4.568 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1 ZINC001461716949 1067924023 /nfs/dbraw/zinc/92/40/23/1067924023.db2.gz MNKYEAMUGZNNPR-SFHVURJKSA-N 0 0 452.454 4.510 20 0 JJADRN COc1cc2ccc(NC(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)cc2cc1OC ZINC001461721078 1067925190 /nfs/dbraw/zinc/92/51/90/1067925190.db2.gz NAKPHBGIHKJXMN-INIZCTEOSA-N 0 0 455.308 4.684 20 0 JJADRN CC(=O)[C@H]1CC(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)=NN1c1ccccc1 ZINC001461720644 1067925218 /nfs/dbraw/zinc/92/52/18/1067925218.db2.gz SXFIMUKPCGKZLL-RBBKRZOGSA-N 0 0 454.368 4.557 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC001461724611 1067926371 /nfs/dbraw/zinc/92/63/71/1067926371.db2.gz XTPZAPOSHWNFQM-MRXNPFEDSA-N 0 0 453.926 4.786 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461740039 1067928527 /nfs/dbraw/zinc/92/85/27/1067928527.db2.gz CWCWDJLFMFRUSL-UHFFFAOYSA-N 0 0 452.502 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001461740192 1067928587 /nfs/dbraw/zinc/92/85/87/1067928587.db2.gz ZXRQVNXCBRJKFX-KHVXQDHOSA-N 0 0 450.579 4.885 20 0 JJADRN CC(C)Cc1ccccc1CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC001461741803 1067928901 /nfs/dbraw/zinc/92/89/01/1067928901.db2.gz DLOQOVWMTYDNLK-UHFFFAOYSA-N 0 0 452.414 4.518 20 0 JJADRN CCO[C@H](C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21)C(C)C ZINC001461741289 1067928932 /nfs/dbraw/zinc/92/89/32/1067928932.db2.gz FGKLGQVVENBCSQ-DEOSSOPVSA-N 0 0 450.579 4.765 20 0 JJADRN Cc1c(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cnn1-c1cccc(Br)c1 ZINC001461742408 1067929269 /nfs/dbraw/zinc/92/92/69/1067929269.db2.gz XANZLLNCUSYGEX-BQYQJAHWSA-N 0 0 456.325 4.810 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCc2ccc(F)c(Br)c2C1 ZINC001461744220 1067929522 /nfs/dbraw/zinc/92/95/22/1067929522.db2.gz XSSWDASDRQBOST-UHFFFAOYSA-N 0 0 457.299 4.739 20 0 JJADRN CC[C@H](C)[C@H](OC)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461749249 1067930356 /nfs/dbraw/zinc/93/03/56/1067930356.db2.gz USELSSWXQHVJFR-RDPSFJRHSA-N 0 0 450.579 4.765 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn2c(Br)cnc2s1 ZINC001461754381 1067930986 /nfs/dbraw/zinc/93/09/86/1067930986.db2.gz KIAQKEBILODJIW-GFCCVEGCSA-N 0 0 457.191 4.672 20 0 JJADRN CC1(C)C[C@]1(CNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccc1 ZINC001461758683 1067931853 /nfs/dbraw/zinc/93/18/53/1067931853.db2.gz MFCCFVXNIHUNSR-SANMLTNESA-N 0 0 450.966 4.678 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001461758091 1067931871 /nfs/dbraw/zinc/93/18/71/1067931871.db2.gz XBQKMYQGFZEDHA-QGZVFWFLSA-N 0 0 459.015 4.867 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)NC[C@]3(c4ccccc4)CC3(C)C)cc2)cc1 ZINC001461759264 1067932287 /nfs/dbraw/zinc/93/22/87/1067932287.db2.gz PUHWFPZDMOQXTG-LJAQVGFWSA-N 0 0 456.586 4.652 20 0 JJADRN CC1(C)[C@@H](CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1(F)F ZINC001461767194 1067933007 /nfs/dbraw/zinc/93/30/07/1067933007.db2.gz XUCVRYMSOSZXTO-MRXNPFEDSA-N 0 0 450.411 4.974 20 0 JJADRN O=C([C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001461772323 1067934274 /nfs/dbraw/zinc/93/42/74/1067934274.db2.gz YSCKKGIJAWQHNO-BPUTZDHNSA-N 0 0 452.336 4.890 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC001461774161 1067934864 /nfs/dbraw/zinc/93/48/64/1067934864.db2.gz HVPONDYPWZUMTR-NRFANRHFSA-N 0 0 452.334 4.728 20 0 JJADRN O=C(NCC/C=C\c1ccc(Br)cc1)c1cc2c(cc1Br)OCO2 ZINC001461792402 1067937890 /nfs/dbraw/zinc/93/78/90/1067937890.db2.gz BPUBQFJVMXJHEF-IWQZZHSRSA-N 0 0 453.130 4.774 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC001461791100 1067937896 /nfs/dbraw/zinc/93/78/96/1067937896.db2.gz FGBGKXQTEZNYEC-IAGOWNOFSA-N 0 0 455.380 4.810 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC001461791102 1067937986 /nfs/dbraw/zinc/93/79/86/1067937986.db2.gz FGBGKXQTEZNYEC-IRXDYDNUSA-N 0 0 455.380 4.810 20 0 JJADRN O=C(Cc1ccc(OCc2ccncc2)cc1)Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC001461799091 1067939073 /nfs/dbraw/zinc/93/90/73/1067939073.db2.gz OJVVCCLPYMYXTI-UHFFFAOYSA-N 0 0 458.539 4.675 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC001461805971 1067940138 /nfs/dbraw/zinc/94/01/38/1067940138.db2.gz RWSOBIBVLCMTPU-UHFFFAOYSA-N 0 0 450.963 4.727 20 0 JJADRN Cc1ccc(OCC(=O)N2CCc3cc(Br)c(Br)cc3C2)c(C)c1 ZINC001461806207 1067940212 /nfs/dbraw/zinc/94/02/12/1067940212.db2.gz XHFQTAJTIBTRMZ-UHFFFAOYSA-N 0 0 453.174 4.792 20 0 JJADRN O=C(Nc1ccc(Oc2cccnn2)cc1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001461808656 1067940490 /nfs/dbraw/zinc/94/04/90/1067940490.db2.gz USQFYVCYBKTZOT-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)CCN1C(=O)OC(C)(C)C ZINC001461812453 1067940898 /nfs/dbraw/zinc/94/08/98/1067940898.db2.gz JERBLZZMFKEAPW-FVQBIDKESA-N 0 0 453.377 4.599 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCCc1nsc2ccccc21 ZINC001461811243 1067940962 /nfs/dbraw/zinc/94/09/62/1067940962.db2.gz CRRSKPWFSGANLY-NZIDHHNMSA-N 0 0 453.995 4.703 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)Oc4cc(Br)ccc43)CC2=O)cc1 ZINC001461812510 1067940976 /nfs/dbraw/zinc/94/09/76/1067940976.db2.gz JFZYTPZFGLSJTE-NVXWUHKLSA-N 0 0 457.368 4.569 20 0 JJADRN CCOC(=O)c1nc(NC(=O)[C@@H](SCc2ccccc2)C(C)C)sc1Br ZINC001461824549 1067942517 /nfs/dbraw/zinc/94/25/17/1067942517.db2.gz CWUGMIBSHYCWSJ-AWEZNQCLSA-N 0 0 457.415 4.979 20 0 JJADRN O=C(Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC001461826540 1067942789 /nfs/dbraw/zinc/94/27/89/1067942789.db2.gz JVRULNBMWYRIML-UHFFFAOYSA-N 0 0 457.861 4.643 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)cc1 ZINC001461832580 1067943668 /nfs/dbraw/zinc/94/36/68/1067943668.db2.gz BPLZNLAPMRTVOG-UHFFFAOYSA-N 0 0 454.995 4.808 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Oc2cc(F)cc(Cl)c2)c1 ZINC001461832637 1067943750 /nfs/dbraw/zinc/94/37/50/1067943750.db2.gz CDCDMAVLKNQOBL-UHFFFAOYSA-N 0 0 450.871 4.865 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCN(Cc3cccc(Oc4ccc(F)cc4)c3)CC2)c1 ZINC001461842784 1067945381 /nfs/dbraw/zinc/94/53/81/1067945381.db2.gz KNBINRWWOQSBFE-UHFFFAOYSA-N 0 0 450.510 4.593 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cc(Br)cc(Br)c2)c1 ZINC001461846924 1067945795 /nfs/dbraw/zinc/94/57/95/1067945795.db2.gz WIKIMAULTTWRHS-HOCLYGCPSA-N 0 0 455.146 4.971 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C2 ZINC001461848289 1067946178 /nfs/dbraw/zinc/94/61/78/1067946178.db2.gz WNICGMQTYFOTOD-OPAMFIHVSA-N 0 0 456.505 4.769 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001461847808 1067946191 /nfs/dbraw/zinc/94/61/91/1067946191.db2.gz CZCFFQBFDSZYOI-UHFFFAOYSA-N 0 0 454.592 4.515 20 0 JJADRN CCN(CCOc1ccccc1OC)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C ZINC001461847256 1067946304 /nfs/dbraw/zinc/94/63/04/1067946304.db2.gz YYXCKUUPRXMCLS-UHFFFAOYSA-N 0 0 456.546 4.792 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cccc(NC(=O)C3CCCCC3)c1)C2 ZINC001461847084 1067946348 /nfs/dbraw/zinc/94/63/48/1067946348.db2.gz VKAWWEVNHJHASL-RXFWQSSRSA-N 0 0 455.599 4.725 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)CCCOc1ccccc1Cl)C2 ZINC001461849954 1067946520 /nfs/dbraw/zinc/94/65/20/1067946520.db2.gz AYCSEVWHCDDJLU-UHFFFAOYSA-N 0 0 458.761 4.652 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1ccccc1COC(C)(C)C)C2 ZINC001461852102 1067947031 /nfs/dbraw/zinc/94/70/31/1067947031.db2.gz MLGVUQDKIPRJLC-UHFFFAOYSA-N 0 0 452.370 4.768 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001461851555 1067947178 /nfs/dbraw/zinc/94/71/78/1067947178.db2.gz MJRXXOKHCSGPNZ-GOSISDBHSA-N 0 0 456.940 4.598 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccccc3CC(F)(F)F)CC2)c1C ZINC001461852883 1067947463 /nfs/dbraw/zinc/94/74/63/1067947463.db2.gz TUCOBOOIUYGLKF-UHFFFAOYSA-N 0 0 454.558 4.532 20 0 JJADRN O=C(Nc1cc(Cl)c(Br)cc1F)c1cc2c(c(Br)c1)OCO2 ZINC001461853585 1067947719 /nfs/dbraw/zinc/94/77/19/1067947719.db2.gz HJQZQMUEEBMSSZ-UHFFFAOYSA-N 0 0 451.473 4.985 20 0 JJADRN CN(Cc1cc(OC(F)F)ccc1Br)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001461853919 1067947751 /nfs/dbraw/zinc/94/77/51/1067947751.db2.gz OJXGKMXWNIODBR-KRWDZBQOSA-N 0 0 459.718 4.941 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)CSc1ccc(Br)cc1)c1ccccc1 ZINC001461856508 1067948487 /nfs/dbraw/zinc/94/84/87/1067948487.db2.gz QLRJAXRBTSOXPB-OAQYLSRUSA-N 0 0 450.398 4.915 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(Cl)c(Br)cc1F)S(=O)(=O)C1CCCCC1 ZINC001461856052 1067948600 /nfs/dbraw/zinc/94/86/00/1067948600.db2.gz RPKSPIKHJDZCCB-INIZCTEOSA-N 0 0 454.789 4.952 20 0 JJADRN Cc1c(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001461859366 1067948813 /nfs/dbraw/zinc/94/88/13/1067948813.db2.gz YBRXPVBRPZTDCD-UHFFFAOYSA-N 0 0 455.444 4.686 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1 ZINC001461859344 1067948826 /nfs/dbraw/zinc/94/88/26/1067948826.db2.gz XSKJVVJLQYJZJS-UHFFFAOYSA-N 0 0 455.360 4.536 20 0 JJADRN CC[C@H]1CN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860502 1067949132 /nfs/dbraw/zinc/94/91/32/1067949132.db2.gz COHKCXISJKSHMR-YOEHRIQHSA-N 0 0 454.402 4.699 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3ccc(Cl)nc3n2)cc1 ZINC001461862823 1067949788 /nfs/dbraw/zinc/94/97/88/1067949788.db2.gz DBKXXBZDMOMIPA-HZPDHXFCSA-N 0 0 452.942 4.704 20 0 JJADRN CCOc1ccc([C@]2(C(=O)OCc3ccc(O[C@@H]4CCOC4)cc3)CC2(Cl)Cl)cc1 ZINC001461865253 1067950005 /nfs/dbraw/zinc/95/00/05/1067950005.db2.gz FLWOGQJRGSYROJ-IRLDBZIGSA-N 0 0 451.346 4.812 20 0 JJADRN COC(=O)c1cc(Br)oc1CN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866586 1067950560 /nfs/dbraw/zinc/95/05/60/1067950560.db2.gz NDXZADGWHFTTQX-CYBMUJFWSA-N 0 0 456.764 4.945 20 0 JJADRN Cc1ccc(CC(=O)N2[C@@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001461870127 1067950958 /nfs/dbraw/zinc/95/09/58/1067950958.db2.gz SDRMLZJAGCMOLG-BQFCYCMXSA-N 0 0 453.421 4.840 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)c1nc2ccccc2cc1Br)c1ccccc1 ZINC001461871995 1067951749 /nfs/dbraw/zinc/95/17/49/1067951749.db2.gz QGDIGUMJXKGDSL-HSZRJFAPSA-N 0 0 455.352 4.984 20 0 JJADRN CSCC[C@@H](C(=O)Nc1cccc2c(Cl)c(C)cnc12)N1C(=O)c2ccccc2C1=O ZINC001461873715 1067952085 /nfs/dbraw/zinc/95/20/85/1067952085.db2.gz BUJYUMDSFFATJB-SFHVURJKSA-N 0 0 453.951 4.553 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCC[C@@H]1Cc1cccc(OC)c1 ZINC001461873915 1067952095 /nfs/dbraw/zinc/95/20/95/1067952095.db2.gz LPNKZLGJRJUZFD-CQSZACIVSA-N 0 0 457.210 4.644 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)NCC1([C@@H]2CCCCO2)CCC1 ZINC001461889900 1067955065 /nfs/dbraw/zinc/95/50/65/1067955065.db2.gz OTEVLFQIQFXVFV-IBGZPJMESA-N 0 0 455.380 4.860 20 0 JJADRN O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC001461893339 1067956173 /nfs/dbraw/zinc/95/61/73/1067956173.db2.gz CFVCKRASTQBPQJ-UHFFFAOYSA-N 0 0 458.455 4.780 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461893616 1067956235 /nfs/dbraw/zinc/95/62/35/1067956235.db2.gz AMUXMMLOVTZENY-SFHVURJKSA-N 0 0 453.583 4.623 20 0 JJADRN CCOC(=O)[C@@]1(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CCCOC1 ZINC001461893795 1067956333 /nfs/dbraw/zinc/95/63/33/1067956333.db2.gz AWAGQCHTXOTLRM-RUZDIDTESA-N 0 0 452.938 4.645 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(C)s1 ZINC001461894476 1067956681 /nfs/dbraw/zinc/95/66/81/1067956681.db2.gz VLOOJRTYGZHCCK-UHFFFAOYSA-N 0 0 451.379 4.919 20 0 JJADRN COc1ccc(OC(=O)c2occc2COc2ccccc2)cc1I ZINC001461897666 1067956974 /nfs/dbraw/zinc/95/69/74/1067956974.db2.gz QWSLXXUIUHHCFJ-UHFFFAOYSA-N 0 0 450.228 4.691 20 0 JJADRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC001461898444 1067957020 /nfs/dbraw/zinc/95/70/20/1067957020.db2.gz GIDIAYKPWRNTOC-RUZDIDTESA-N 0 0 452.938 4.678 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2cnc(C3OCCO3)s2)Cc2ccccc2)C1 ZINC001461899700 1067957585 /nfs/dbraw/zinc/95/75/85/1067957585.db2.gz ISYOEDCPGCGJGI-LJQANCHMSA-N 0 0 459.612 4.590 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@](C)(Cc3ccc(Cl)cc3)C(=O)OC)c12 ZINC001461900424 1067958015 /nfs/dbraw/zinc/95/80/15/1067958015.db2.gz IWLOTICBRFWTCM-XMMPIXPASA-N 0 0 455.942 4.610 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001461902617 1067958421 /nfs/dbraw/zinc/95/84/21/1067958421.db2.gz QYONKDDRDMBOKC-QHCPKHFHSA-N 0 0 456.951 4.558 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001546128004 1067959295 /nfs/dbraw/zinc/95/92/95/1067959295.db2.gz LVKAUDVDLPZEOU-HNNXBMFYSA-N 0 0 459.310 4.665 20 0 JJADRN CC(C)COC(=O)N1CCCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461909464 1067959579 /nfs/dbraw/zinc/95/95/79/1067959579.db2.gz MFEMYDXTBGLGFJ-UHFFFAOYSA-N 0 0 452.418 4.873 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001461921009 1067961423 /nfs/dbraw/zinc/96/14/23/1067961423.db2.gz WVCQKWFMXJJEFJ-UTCJRWHESA-N 0 0 455.601 4.886 20 0 JJADRN CCOc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461922054 1067961795 /nfs/dbraw/zinc/96/17/95/1067961795.db2.gz SFXYVGFNZRLZPV-QGZVFWFLSA-N 0 0 451.394 4.812 20 0 JJADRN Cc1nn(C)c(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928316 1067962284 /nfs/dbraw/zinc/96/22/84/1067962284.db2.gz RIDDMLGXUAANRT-INIZCTEOSA-N 0 0 450.425 4.767 20 0 JJADRN O=C(CN1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccccc1F ZINC001461929021 1067962846 /nfs/dbraw/zinc/96/28/46/1067962846.db2.gz VTTSUCXOEYMNIB-RMKNXTFCSA-N 0 0 459.565 4.674 20 0 JJADRN CCc1sc(C(=O)N2C[C@]3(C)CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)cc1Br ZINC001461932074 1067963267 /nfs/dbraw/zinc/96/32/67/1067963267.db2.gz MGBGVFGLWFFIDA-BGYRXZFFSA-N 0 0 457.434 4.792 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001461932078 1067963308 /nfs/dbraw/zinc/96/33/08/1067963308.db2.gz MINOWTKAROISKC-UHFFFAOYSA-N 0 0 456.365 4.864 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)CCO2)cc1 ZINC001461933327 1067963662 /nfs/dbraw/zinc/96/36/62/1067963662.db2.gz HCYGZJDZJKEMTC-HXUWFJFHSA-N 0 0 458.530 4.975 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001461940160 1067965197 /nfs/dbraw/zinc/96/51/97/1067965197.db2.gz AUDDKVDEMBZKPD-QUCCMNQESA-N 0 0 458.990 4.834 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1Cl ZINC001461941507 1067965281 /nfs/dbraw/zinc/96/52/81/1067965281.db2.gz VNINONHAXKRLJL-MRXNPFEDSA-N 0 0 459.974 4.842 20 0 JJADRN O[C@@H](C[C@H]1COCCN1Cc1cc(Br)cc(Br)c1)c1ccccc1 ZINC001461942356 1067965316 /nfs/dbraw/zinc/96/53/16/1067965316.db2.gz KZUFXMVJHDHAHI-OALUTQOASA-N 0 0 455.190 4.536 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1Cl ZINC001461942289 1067965534 /nfs/dbraw/zinc/96/55/34/1067965534.db2.gz QSUGFCZNASXKHU-HHXXYDBFSA-N 0 0 451.995 4.587 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1Cl ZINC001461942304 1067965559 /nfs/dbraw/zinc/96/55/59/1067965559.db2.gz QSUGFCZNASXKHU-SZVBFZGTSA-N 0 0 451.995 4.587 20 0 JJADRN O=C(COc1ccc(F)c(Cl)c1)Nc1cc(F)c(Cl)cc1I ZINC001461948138 1067967155 /nfs/dbraw/zinc/96/71/55/1067967155.db2.gz WJZFTLPPSOTSRH-UHFFFAOYSA-N 0 0 458.029 4.894 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 ZINC001461950747 1067967503 /nfs/dbraw/zinc/96/75/03/1067967503.db2.gz HBRIAZYUXVFMBC-UHFFFAOYSA-N 0 0 457.361 4.522 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C2)cc1F ZINC001461955385 1067968293 /nfs/dbraw/zinc/96/82/93/1067968293.db2.gz UXSNCPLFNHFTKL-AWEZNQCLSA-N 0 0 451.395 4.808 20 0 JJADRN CC(C)Oc1cc(Cl)c(CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1Cl ZINC001461956239 1067968359 /nfs/dbraw/zinc/96/83/59/1067968359.db2.gz KLUVPPOESKTOGN-UHFFFAOYSA-N 0 0 456.458 4.593 20 0 JJADRN CCOC(=O)N1CCCN(Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001461956623 1067968899 /nfs/dbraw/zinc/96/88/99/1067968899.db2.gz GLDOIJLUUFDEJK-UHFFFAOYSA-N 0 0 452.530 4.776 20 0 JJADRN COc1sc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br ZINC001461958795 1067969438 /nfs/dbraw/zinc/96/94/38/1067969438.db2.gz LMPCLLQCDUPFBD-CYBMUJFWSA-N 0 0 456.381 4.692 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(s3)c(Br)ccc4F)c2O1 ZINC001461962475 1067969856 /nfs/dbraw/zinc/96/98/56/1067969856.db2.gz GQDMNDPKEGAFRO-UHFFFAOYSA-N 0 0 451.317 4.929 20 0 JJADRN FC(F)(F)Oc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1Br ZINC001461963962 1067969950 /nfs/dbraw/zinc/96/99/50/1067969950.db2.gz BSJKZRWBTALMCN-INIZCTEOSA-N 0 0 452.311 4.898 20 0 JJADRN CCOc1cc(F)cc(CN2CCC(Oc3ccccc3I)CC2)c1 ZINC001461965122 1067970478 /nfs/dbraw/zinc/97/04/78/1067970478.db2.gz DVBYYRWMYRQTTG-UHFFFAOYSA-N 0 0 455.311 4.872 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1nc2c(s1)c(Br)ccc2F)c1ccc(C)cc1 ZINC001461965801 1067970488 /nfs/dbraw/zinc/97/04/88/1067970488.db2.gz LJIGNLDLWBZRQE-OAHLLOKOSA-N 0 0 450.333 4.712 20 0 JJADRN CCCN(C)c1ccccc1NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001461972623 1067972429 /nfs/dbraw/zinc/97/24/29/1067972429.db2.gz MICQYQNCOFLELK-UHFFFAOYSA-N 0 0 459.550 4.595 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001461971990 1067972521 /nfs/dbraw/zinc/97/25/21/1067972521.db2.gz SZIKDRXYCZYSLQ-UHFFFAOYSA-N 0 0 454.368 4.744 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC(C)(C)c3cccc(Br)c32)c1 ZINC001461972150 1067972627 /nfs/dbraw/zinc/97/26/27/1067972627.db2.gz GCLBBMTXKWKSEB-UHFFFAOYSA-N 0 0 454.361 4.708 20 0 JJADRN COC(=O)c1ccccc1-c1ccc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)o1 ZINC001461975891 1067972936 /nfs/dbraw/zinc/97/29/36/1067972936.db2.gz DMCXRUXTHGRDLI-UHFFFAOYSA-N 0 0 453.608 4.805 20 0 JJADRN O=C(Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1cc2cc(Cl)ccc2s1 ZINC001461975926 1067972989 /nfs/dbraw/zinc/97/29/89/1067972989.db2.gz CJLUHRLUIJSCQG-UHFFFAOYSA-N 0 0 456.770 4.899 20 0 JJADRN CN(C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H](CCc1ccccc1)C(F)F ZINC001461975765 1067973049 /nfs/dbraw/zinc/97/30/49/1067973049.db2.gz NTKSQMOYZWTRQO-MRXNPFEDSA-N 0 0 456.390 4.764 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)C1 ZINC001461981036 1067974284 /nfs/dbraw/zinc/97/42/84/1067974284.db2.gz DIYVENBBCHRUME-HQNXYIODSA-N 0 0 456.627 4.835 20 0 JJADRN CCC[C@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC001461982129 1067974425 /nfs/dbraw/zinc/97/44/25/1067974425.db2.gz WTXAGGLATZHBCG-HNNXBMFYSA-N 0 0 456.789 4.955 20 0 JJADRN O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001461981599 1067974511 /nfs/dbraw/zinc/97/45/11/1067974511.db2.gz HYIMBHZEWJWCSR-UHFFFAOYSA-N 0 0 459.281 4.955 20 0 JJADRN COC(=O)c1ccc(CN2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987701 1067976149 /nfs/dbraw/zinc/97/61/49/1067976149.db2.gz QWYMSFJUMQMHLM-LJQANCHMSA-N 0 0 456.340 4.547 20 0 JJADRN CC(=O)N(c1nc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cs1)c1ccccc1 ZINC001461995268 1067977080 /nfs/dbraw/zinc/97/70/80/1067977080.db2.gz NVCVVZPVBDWEEA-FQEVSTJZSA-N 0 0 458.946 4.515 20 0 JJADRN CCC(=O)c1ccccc1NC(=O)c1cccc(Br)c1I ZINC001461998344 1067977539 /nfs/dbraw/zinc/97/75/39/1067977539.db2.gz NBIAZOWKGTWYDM-UHFFFAOYSA-N 0 0 458.093 4.899 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001461997549 1067977599 /nfs/dbraw/zinc/97/75/99/1067977599.db2.gz PALUMCOZDCJNHL-MRXNPFEDSA-N 0 0 452.498 4.945 20 0 JJADRN Cc1cc(C(=O)NCc2ccccc2CC(F)(F)F)nn1-c1ccc(Br)cc1 ZINC001461999321 1067977638 /nfs/dbraw/zinc/97/76/38/1067977638.db2.gz WPJXREMCDALORE-UHFFFAOYSA-N 0 0 452.274 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC001461998094 1067977659 /nfs/dbraw/zinc/97/76/59/1067977659.db2.gz HTRRQWURCZSUPR-CQSZACIVSA-N 0 0 452.338 4.920 20 0 JJADRN O=C(NCc1ccnc(-c2ccccc2)c1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001461999735 1067978118 /nfs/dbraw/zinc/97/81/18/1067978118.db2.gz QUDUMSDVTSVAFX-QHCPKHFHSA-N 0 0 450.380 4.964 20 0 JJADRN COCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1cc(Cl)cc(Cl)c1 ZINC001462004538 1067978529 /nfs/dbraw/zinc/97/85/29/1067978529.db2.gz CBCLUZWCBNRNJK-UHFFFAOYSA-N 0 0 459.255 4.886 20 0 JJADRN CCN1c2ccc(NC(=O)Cc3ccccc3C(=O)OC(C)(C)C)cc2OCC(C)(C)C1=O ZINC001462010713 1067980127 /nfs/dbraw/zinc/98/01/27/1067980127.db2.gz NNYHGTVXHLNHMF-UHFFFAOYSA-N 0 0 452.551 4.595 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001462013130 1067980325 /nfs/dbraw/zinc/98/03/25/1067980325.db2.gz RBPRHODEZPRDGW-LYGMZBLVSA-N 0 0 454.542 4.585 20 0 JJADRN CN(Cc1ccc(Br)cc1F)C(=O)c1csc(I)c1 ZINC001462013577 1067980984 /nfs/dbraw/zinc/98/09/84/1067980984.db2.gz IGGYWWSEUYZWAG-UHFFFAOYSA-N 0 0 454.102 4.527 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462015856 1067981435 /nfs/dbraw/zinc/98/14/35/1067981435.db2.gz YKUASGZEQMAYEN-UHFFFAOYSA-N 0 0 456.512 4.607 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)NCc2ccsc2C(F)(F)F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001462017550 1067981802 /nfs/dbraw/zinc/98/18/02/1067981802.db2.gz ATMUACWEKZGZQD-IAQYHMDHSA-N 0 0 451.297 4.910 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCc2ccsc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001462017554 1067981816 /nfs/dbraw/zinc/98/18/16/1067981816.db2.gz ATMUACWEKZGZQD-NHYWBVRUSA-N 0 0 451.297 4.910 20 0 JJADRN C[C@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC001462021559 1067982890 /nfs/dbraw/zinc/98/28/90/1067982890.db2.gz YVFDZJKRTRBROK-OAHLLOKOSA-N 0 0 452.970 4.882 20 0 JJADRN CCN(Cc1ccccc1OCc1ccc(C(=O)OC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001462022988 1067983269 /nfs/dbraw/zinc/98/32/69/1067983269.db2.gz KEUCPDCZAXOPPX-UHFFFAOYSA-N 0 0 457.530 4.723 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCc2cc(Br)c(Cl)cc21 ZINC001462022757 1067983319 /nfs/dbraw/zinc/98/33/19/1067983319.db2.gz SWLRCRYFXWGCHU-UHFFFAOYSA-N 0 0 457.755 4.965 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001462024656 1067983690 /nfs/dbraw/zinc/98/36/90/1067983690.db2.gz RTHBKKXROKYMPY-MRXNPFEDSA-N 0 0 452.605 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NCc2nc(Cl)cs2)c1 ZINC001462025387 1067983724 /nfs/dbraw/zinc/98/37/24/1067983724.db2.gz ZUUIKBRUYGNYSY-MRXNPFEDSA-N 0 0 451.976 4.965 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462026392 1067984246 /nfs/dbraw/zinc/98/42/46/1067984246.db2.gz PBGBJTMQBQLTMC-APWZRJJASA-N 0 0 454.368 4.504 20 0 JJADRN C[C@@H]1CCC[C@H]([N@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033303 1067985032 /nfs/dbraw/zinc/98/50/32/1067985032.db2.gz MEVCQDZGHRXABV-FGSXEWAUSA-N 0 0 455.599 4.931 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)CC2=O)cc1 ZINC001462035650 1067985650 /nfs/dbraw/zinc/98/56/50/1067985650.db2.gz XGOZOMCJSFHBOQ-QUCCMNQESA-N 0 0 457.977 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3ccc([C@H]4CCCOC4)cc3)cccc2C1 ZINC001462041387 1067987326 /nfs/dbraw/zinc/98/73/26/1067987326.db2.gz ZBPCVDRSFUSLSS-QHCPKHFHSA-N 0 0 450.579 4.804 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)CC(F)(F)F ZINC001462042274 1067987808 /nfs/dbraw/zinc/98/78/08/1067987808.db2.gz CKSWBVSBSDVNGH-HNNXBMFYSA-N 0 0 455.443 4.673 20 0 JJADRN CC(C)c1coc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)n1 ZINC001462041410 1067987889 /nfs/dbraw/zinc/98/78/89/1067987889.db2.gz HMEWBBGMAAGRLP-UHFFFAOYSA-N 0 0 451.907 4.668 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC001462042114 1067987895 /nfs/dbraw/zinc/98/78/95/1067987895.db2.gz LRZFGASACDCAMH-DEOSSOPVSA-N 0 0 458.624 4.695 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001462045786 1067988934 /nfs/dbraw/zinc/98/89/34/1067988934.db2.gz QMWYZZDJPQPGFH-OTNPHJDUSA-N 0 0 453.583 4.875 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC001462047453 1067989454 /nfs/dbraw/zinc/98/94/54/1067989454.db2.gz GKUZJFAMVFHEIJ-OSLDLMBLSA-N 0 0 455.368 4.803 20 0 JJADRN Cc1cc2occ(C(=O)Nc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)c2cc1C ZINC001462053184 1067991358 /nfs/dbraw/zinc/99/13/58/1067991358.db2.gz SXQAIIRNPQPBDB-UHFFFAOYSA-N 0 0 450.539 4.754 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC001462053892 1067991913 /nfs/dbraw/zinc/99/19/13/1067991913.db2.gz UAAJJZNILSEUIB-LBCSOOOPSA-N 0 0 456.505 4.765 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)c3cc4c(s3)CCCCC4)c2)CC1 ZINC001462059897 1067993264 /nfs/dbraw/zinc/99/32/64/1067993264.db2.gz OHKXSVXWVUQFLU-UHFFFAOYSA-N 0 0 456.612 4.721 20 0 JJADRN Cn1cc(CCC(=O)Nc2nn(-c3ncccc3Cl)cc2Br)c2ccccc21 ZINC001462061309 1067993333 /nfs/dbraw/zinc/99/33/33/1067993333.db2.gz PFBFQOGVTMAAPD-UHFFFAOYSA-N 0 0 458.747 4.746 20 0 JJADRN CC(C)(C)Oc1ccc(C(=O)Nc2nn(-c3ncccc3Cl)cc2Br)nc1 ZINC001462060977 1067993359 /nfs/dbraw/zinc/99/33/59/1067993359.db2.gz NXSAKXWZYQQZHO-UHFFFAOYSA-N 0 0 450.724 4.508 20 0 JJADRN O=C(Nc1nn(-c2ncccc2Cl)cc1Br)c1ccn(Cc2ccccc2)c1 ZINC001462063071 1067993955 /nfs/dbraw/zinc/99/39/55/1067993955.db2.gz RQNKRKZQNXLWNA-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462065875 1067994542 /nfs/dbraw/zinc/99/45/42/1067994542.db2.gz QFZXCPZXAZYUPU-FUHWJXTLSA-N 0 0 459.359 4.736 20 0 JJADRN CCc1c(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cnn1-c1cccc(Cl)c1 ZINC001462066474 1067995110 /nfs/dbraw/zinc/99/51/10/1067995110.db2.gz VZPSDBOEGVLETQ-UHFFFAOYSA-N 0 0 451.808 4.846 20 0 JJADRN Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001462067497 1067995119 /nfs/dbraw/zinc/99/51/19/1067995119.db2.gz VXDGUSQCQYUBAY-UHFFFAOYSA-N 0 0 451.474 4.641 20 0 JJADRN O=C(CSCc1coc(-c2ccccc2)n1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001462066393 1067995172 /nfs/dbraw/zinc/99/51/72/1067995172.db2.gz UXNQFGFFMQNQFE-UHFFFAOYSA-N 0 0 450.414 4.719 20 0 JJADRN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001462065882 1067995223 /nfs/dbraw/zinc/99/52/23/1067995223.db2.gz QFZXCPZXAZYUPU-WMZOPIPTSA-N 0 0 459.359 4.736 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066807 1067995270 /nfs/dbraw/zinc/99/52/70/1067995270.db2.gz BHCVORJDQZDEJL-NVQXNPDNSA-N 0 0 454.615 4.510 20 0 JJADRN Cc1csc(CN(C(=O)c2ccnc(NC(=O)C(C)C)c2)c2nc3ccccc3s2)n1 ZINC001462068642 1067995695 /nfs/dbraw/zinc/99/56/95/1067995695.db2.gz FKYCLVSMPHQGJE-UHFFFAOYSA-N 0 0 451.577 4.898 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3csc(C)c3C)cc2)c1C(F)(F)F ZINC001462072481 1067996944 /nfs/dbraw/zinc/99/69/44/1067996944.db2.gz ZSKNDSSIVMEDJY-UHFFFAOYSA-N 0 0 451.470 4.676 20 0 JJADRN C[C@@H]1CN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462074777 1067996958 /nfs/dbraw/zinc/99/69/58/1067996958.db2.gz YAZUZUFNRODURZ-DLBZAZTESA-N 0 0 452.521 4.780 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)C1 ZINC001462073451 1067996995 /nfs/dbraw/zinc/99/69/95/1067996995.db2.gz SJPOUBDPEWBXNR-WBVHZDCISA-N 0 0 456.637 4.879 20 0 JJADRN Cc1cc(OCc2ccccc2)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)s1 ZINC001462083608 1067998202 /nfs/dbraw/zinc/99/82/02/1067998202.db2.gz DGJUSNLQLDNWKS-GOSISDBHSA-N 0 0 458.942 4.963 20 0 JJADRN C[S@@](=O)Cc1cc(N[C@H]2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1Cl ZINC001462085759 1067998854 /nfs/dbraw/zinc/99/88/54/1067998854.db2.gz IKGPDNXKIXYHSJ-YVGXBJCXSA-N 0 0 457.036 4.579 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1c(Cl)cccc1OCC1CC1 ZINC001462089678 1067999510 /nfs/dbraw/zinc/99/95/10/1067999510.db2.gz ABYWXVQEVFVGJY-QGZVFWFLSA-N 0 0 452.860 4.683 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc2c1 ZINC001462091191 1068000030 /nfs/dbraw/zinc/00/00/30/1068000030.db2.gz DEPCMUKJNBTYPY-BEQDLAACSA-N 0 0 454.448 4.802 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CCOCC1 ZINC001546129340 1068000868 /nfs/dbraw/zinc/00/08/68/1068000868.db2.gz BVQDHFIENQORTG-QZTJIDSGSA-N 0 0 490.670 4.508 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462099602 1068002152 /nfs/dbraw/zinc/00/21/52/1068002152.db2.gz RHVQLBAASZKJQD-SCLBCKFNSA-N 0 0 458.402 4.825 20 0 JJADRN CC(C)Cn1nc(C(=O)Nc2ccc(Br)c(OC(C)C)c2)c2ccccc2c1=O ZINC001462101817 1068002602 /nfs/dbraw/zinc/00/26/02/1068002602.db2.gz ACUXZKJNHYWOJL-UHFFFAOYSA-N 0 0 458.356 4.855 20 0 JJADRN CC(=O)N1CC[C@@H](OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c2ccccc21 ZINC001462102327 1068002986 /nfs/dbraw/zinc/00/29/86/1068002986.db2.gz AVBGNEYNWCDTQX-KZULUSFZSA-N 0 0 452.732 4.911 20 0 JJADRN Cc1ccc(N(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C2CCOCC2)cc1F ZINC001462107762 1068005294 /nfs/dbraw/zinc/00/52/94/1068005294.db2.gz HRIJVOJKKPXHCL-UHFFFAOYSA-N 0 0 454.542 4.695 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCC[C@](OC)(C(F)(F)F)C2)cc1Br ZINC001462108246 1068005448 /nfs/dbraw/zinc/00/54/48/1068005448.db2.gz XXFSQCSMOLVGSN-SJKOYZFVSA-N 0 0 458.290 4.813 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC001462109496 1068006091 /nfs/dbraw/zinc/00/60/91/1068006091.db2.gz LNRIYFJWHKESIH-KRWDZBQOSA-N 0 0 450.888 4.796 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001462111227 1068006682 /nfs/dbraw/zinc/00/66/82/1068006682.db2.gz XIZPMILYXFICIK-UHFFFAOYSA-N 0 0 453.970 4.972 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@@H]2C)CCOCC1 ZINC001546129527 1068009139 /nfs/dbraw/zinc/00/91/39/1068009139.db2.gz JFYDDJXMCHEUFD-LSDHHAIUSA-N 0 0 468.465 4.573 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(c3cccc(F)c3C)[C@@H]3CCO[C@H]3C)C2)c1 ZINC001462121766 1068009401 /nfs/dbraw/zinc/00/94/01/1068009401.db2.gz VULAIVYKWOSRQR-STWLZBDKSA-N 0 0 452.570 4.814 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001462127977 1068011141 /nfs/dbraw/zinc/01/11/41/1068011141.db2.gz KLFZIVGOFNFTRL-KSSFIOAISA-N 0 0 452.334 4.874 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)cs1 ZINC001462125964 1068011292 /nfs/dbraw/zinc/01/12/92/1068011292.db2.gz RCLYYCQVLFFHDO-UHFFFAOYSA-N 0 0 450.948 4.628 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCc4cc(C)cc(Br)c4C3)C2)cc1 ZINC001462127472 1068011320 /nfs/dbraw/zinc/01/13/20/1068011320.db2.gz MNYILHNSSXYPNV-FQEVSTJZSA-N 0 0 455.396 4.503 20 0 JJADRN CCOC(=O)[C@@H](N[C@H](C)COc1ccc2cc(Br)ccc2c1)c1cccc(O)c1 ZINC001462129749 1068011733 /nfs/dbraw/zinc/01/17/33/1068011733.db2.gz MPEUEGDQPKUCEM-QRQCRPRQSA-N 0 0 458.352 4.969 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](COC(C)C)C2)CCC1 ZINC001546129595 1068012916 /nfs/dbraw/zinc/01/29/16/1068012916.db2.gz LQVFJHAWQYZWHD-FQEVSTJZSA-N 0 0 464.557 4.757 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)N3CCc4cc(C)cc(Br)c4C3)CC2=O)c(C)c1 ZINC001462136503 1068013455 /nfs/dbraw/zinc/01/34/55/1068013455.db2.gz FDLKFBYFEPUINA-LJQANCHMSA-N 0 0 455.396 4.621 20 0 JJADRN Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2OCc2ccccc2)nn1-c1ccccc1F ZINC001462138536 1068013714 /nfs/dbraw/zinc/01/37/14/1068013714.db2.gz PVNSYLSFUHVDEY-UHFFFAOYSA-N 0 0 457.505 4.531 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC001462138101 1068013832 /nfs/dbraw/zinc/01/38/32/1068013832.db2.gz JGZVKKAXVQWETK-UHFFFAOYSA-N 0 0 457.137 4.866 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)nc2Cl)[C@H](c2cccnc2)C1 ZINC001462143771 1068014196 /nfs/dbraw/zinc/01/41/96/1068014196.db2.gz DCAOVBHYQJWUTO-INIZCTEOSA-N 0 0 456.896 4.943 20 0 JJADRN C[C@@H](NCc1ccc(F)cc1I)c1noc(-c2ccc(Cl)cc2)n1 ZINC001462146118 1068014848 /nfs/dbraw/zinc/01/48/48/1068014848.db2.gz LYRMRZXHWBLYRG-SNVBAGLBSA-N 0 0 457.674 4.985 20 0 JJADRN COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)cc1C ZINC001462146783 1068015200 /nfs/dbraw/zinc/01/52/00/1068015200.db2.gz JAVWKGGNNPZHMF-JOCHJYFZSA-N 0 0 454.567 4.584 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)[C@@H]2CCOC2)CCCC1 ZINC001546129685 1068015343 /nfs/dbraw/zinc/01/53/43/1068015343.db2.gz OTGGSRTZCPJBMC-MRXNPFEDSA-N 0 0 463.420 4.912 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)Nc3nc([C@H]4CCC[C@H](C(F)(F)F)C4)cs3)cnc12 ZINC001462148064 1068015853 /nfs/dbraw/zinc/01/58/53/1068015853.db2.gz RNHFYXCFJZWJDU-KBPBESRZSA-N 0 0 450.486 4.636 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cn1 ZINC001462150550 1068016059 /nfs/dbraw/zinc/01/60/59/1068016059.db2.gz ZIMGMKSHBISBQV-VXGBXAGGSA-N 0 0 456.490 4.977 20 0 JJADRN CN(Cc1ncnn1CC(F)F)Cc1ccccc1Oc1ccc(Br)cc1F ZINC001462150885 1068016135 /nfs/dbraw/zinc/01/61/35/1068016135.db2.gz OFBVLQJNYJRDNT-UHFFFAOYSA-N 0 0 455.278 4.869 20 0 JJADRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)cn1 ZINC001462150549 1068016149 /nfs/dbraw/zinc/01/61/49/1068016149.db2.gz ZIMGMKSHBISBQV-RYUDHWBXSA-N 0 0 456.490 4.977 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nc(Br)cs2)[C@@H](c2cccc(F)c2)C1 ZINC001462151666 1068016614 /nfs/dbraw/zinc/01/66/14/1068016614.db2.gz WAEVFPKNSCXSLE-OAHLLOKOSA-N 0 0 456.381 4.839 20 0 JJADRN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H](n3cncn3)C(F)(F)F)c2C1 ZINC001462152845 1068017247 /nfs/dbraw/zinc/01/72/47/1068017247.db2.gz BJNVZRDYCWRYHE-QRWLVFNGSA-N 0 0 459.516 4.901 20 0 JJADRN CCCc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cnn1-c1cccc(F)c1 ZINC001546130026 1068017293 /nfs/dbraw/zinc/01/72/93/1068017293.db2.gz BVGSTDXKVTWGIQ-AWEZNQCLSA-N 0 0 458.896 4.748 20 0 JJADRN COc1cc(CN2C[C@H](C)Oc3ccc(Br)cc32)cc(OC)c1OCC(F)F ZINC001462153931 1068017792 /nfs/dbraw/zinc/01/77/92/1068017792.db2.gz FJTZRIFIFPGXAJ-LBPRGKRZSA-N 0 0 458.299 4.898 20 0 JJADRN CCCN(Cc1cccc(F)c1I)[C@@H](C)C(=O)Nc1ccccc1C ZINC001462153690 1068017870 /nfs/dbraw/zinc/01/78/70/1068017870.db2.gz HZKCOTYYDCQLLY-HNNXBMFYSA-N 0 0 454.327 4.978 20 0 JJADRN Cc1cc(Br)cn2c(CN3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155392 1068018053 /nfs/dbraw/zinc/01/80/53/1068018053.db2.gz ZZZMPJIRXNBNND-INIZCTEOSA-N 0 0 451.409 4.532 20 0 JJADRN CCc1c(C(=O)Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)nnn1Cc1ccc(F)cc1 ZINC001462155075 1068018214 /nfs/dbraw/zinc/01/82/14/1068018214.db2.gz RAICMUJIWXCBFS-UHFFFAOYSA-N 0 0 453.518 4.936 20 0 JJADRN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)Cc2ccon2)CCOCC1 ZINC001546129777 1068020209 /nfs/dbraw/zinc/02/02/09/1068020209.db2.gz SXEWLYCEDMRNMI-UHFFFAOYSA-N 0 0 478.366 4.678 20 0 JJADRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=Cc2cc(Br)ccc2OC1 ZINC001462166393 1068020688 /nfs/dbraw/zinc/02/06/88/1068020688.db2.gz KSQVPNCAOCDWET-MJGOQNOKSA-N 0 0 452.707 4.664 20 0 JJADRN Cc1ccc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Br)c(C)c4)C3)nc2c1C ZINC001462172043 1068021450 /nfs/dbraw/zinc/02/14/50/1068021450.db2.gz ONRADTHHJNKGMB-CQSZACIVSA-N 0 0 458.381 4.976 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)c1 ZINC001462174353 1068021774 /nfs/dbraw/zinc/02/17/74/1068021774.db2.gz ASJYYQRNNCAGMS-FZKQIMNGSA-N 0 0 455.725 4.592 20 0 JJADRN O=C(NC[C@H]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)C1)OCc1ccccc1 ZINC001462178373 1068022867 /nfs/dbraw/zinc/02/28/67/1068022867.db2.gz PLPSAJUWEJKBIN-JOCHJYFZSA-N 0 0 452.986 4.723 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2cnc(C)s2)CCOCC1 ZINC001546129873 1068023037 /nfs/dbraw/zinc/02/30/37/1068023037.db2.gz XBIOIWJGKHWXAO-UHFFFAOYSA-N 0 0 471.627 4.570 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001462181787 1068023976 /nfs/dbraw/zinc/02/39/76/1068023976.db2.gz DFOCXCVMWJKPCD-ZJSXRUAMSA-N 0 0 458.599 4.664 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2cc(F)c(Br)cc2F)cc1 ZINC001462187037 1068024558 /nfs/dbraw/zinc/02/45/58/1068024558.db2.gz SBEQBDDHLJUVLV-UHFFFAOYSA-N 0 0 455.299 4.933 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CN[C@H]3CCOc4c(Cl)c(Cl)ccc43)on2)C1 ZINC001462188086 1068025023 /nfs/dbraw/zinc/02/50/23/1068025023.db2.gz FFRRZJNIMPGJDI-INIZCTEOSA-N 0 0 454.354 4.929 20 0 JJADRN CCn1c(CNCc2ccc(OC)cc2Br)nc2cc(Br)ccc21 ZINC001462191363 1068025878 /nfs/dbraw/zinc/02/58/78/1068025878.db2.gz ODJNIIJNLFYZBD-UHFFFAOYSA-N 0 0 453.178 4.880 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CCC1 ZINC001546129964 1068026437 /nfs/dbraw/zinc/02/64/37/1068026437.db2.gz ZSIHPYSHWPVFHI-KRWDZBQOSA-N 0 0 458.603 4.555 20 0 JJADRN Cc1c(C(=O)N2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)sc2nccc(C)c12 ZINC001462197450 1068026889 /nfs/dbraw/zinc/02/68/89/1068026889.db2.gz OZCGDSSVZLZSMM-UHFFFAOYSA-N 0 0 453.564 4.977 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)N(CCN1CCOCC1)c1ccccc1Cl ZINC001462197339 1068027115 /nfs/dbraw/zinc/02/71/15/1068027115.db2.gz KEHPGBIESDZNBJ-UHFFFAOYSA-N 0 0 459.974 4.890 20 0 JJADRN COc1ccc(C(=O)N(CCN2CCOCC2)c2ccccc2Cl)c(OC2CCCC2)c1 ZINC001462198766 1068027242 /nfs/dbraw/zinc/02/72/42/1068027242.db2.gz NUHDKEGFJRRFPP-UHFFFAOYSA-N 0 0 458.986 4.649 20 0 JJADRN O=C(OCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001462200107 1068028030 /nfs/dbraw/zinc/02/80/30/1068028030.db2.gz QPZQZNRTLLZEML-UHFFFAOYSA-N 0 0 459.926 4.978 20 0 JJADRN O=C(COc1cc(-c2ccccc2)sc1C(=O)OCc1ccc(F)cn1)N1CCCCC1 ZINC001462201290 1068028409 /nfs/dbraw/zinc/02/84/09/1068028409.db2.gz NDZWPMHWWBEEDM-UHFFFAOYSA-N 0 0 454.523 4.698 20 0 JJADRN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2ccsc2Br)CC1 ZINC001462207086 1068028894 /nfs/dbraw/zinc/02/88/94/1068028894.db2.gz XBXYGDOZJABEHX-UHFFFAOYSA-N 0 0 450.320 4.979 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(Cl)ccc3cnccc32)cc1 ZINC001462204400 1068028926 /nfs/dbraw/zinc/02/89/26/1068028926.db2.gz MRBHRWGRCAIDRT-UHFFFAOYSA-N 0 0 451.935 4.966 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001462208022 1068029514 /nfs/dbraw/zinc/02/95/14/1068029514.db2.gz JURYINKJJZTMTA-UHFFFAOYSA-N 0 0 456.498 4.966 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccns2)c(Cl)cc1Cl ZINC001462214597 1068030196 /nfs/dbraw/zinc/03/01/96/1068030196.db2.gz GXBPOFGZJMDOLE-UHFFFAOYSA-N 0 0 456.376 4.917 20 0 JJADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCCSc2cc(Cl)ccc21 ZINC001462214341 1068030384 /nfs/dbraw/zinc/03/03/84/1068030384.db2.gz PYDTZJKJTNFOOF-UHFFFAOYSA-N 0 0 453.789 4.751 20 0 JJADRN Cc1ccc(NC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC001462216374 1068030759 /nfs/dbraw/zinc/03/07/59/1068030759.db2.gz QYHBQWHHYYGVDI-LJQANCHMSA-N 0 0 453.649 4.567 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)Cc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)ccc12 ZINC001462218827 1068030865 /nfs/dbraw/zinc/03/08/65/1068030865.db2.gz VVIQUFPDUHSCET-GOSISDBHSA-N 0 0 452.551 4.889 20 0 JJADRN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001462219735 1068031286 /nfs/dbraw/zinc/03/12/86/1068031286.db2.gz LICCTDUACMRGKM-OALUTQOASA-N 0 0 451.510 4.761 20 0 JJADRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2c(F)cc(Br)cc2F)C1 ZINC001462219977 1068031396 /nfs/dbraw/zinc/03/13/96/1068031396.db2.gz NNDLCRPDDSTHGB-GOSISDBHSA-N 0 0 451.355 4.831 20 0 JJADRN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001462219733 1068031427 /nfs/dbraw/zinc/03/14/27/1068031427.db2.gz LICCTDUACMRGKM-MOPGFXCFSA-N 0 0 451.510 4.761 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)nn1-c1ccccc1F ZINC001462227040 1068033069 /nfs/dbraw/zinc/03/30/69/1068033069.db2.gz LMIITJLCQCMUBQ-DEOSSOPVSA-N 0 0 457.908 4.710 20 0 JJADRN Cc1cccc(CN2CCO[C@@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234338 1068034888 /nfs/dbraw/zinc/03/48/88/1068034888.db2.gz NJALBFLGXSBLGJ-IBGZPJMESA-N 0 0 459.409 4.603 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239817 1068036134 /nfs/dbraw/zinc/03/61/34/1068036134.db2.gz XSBIXUQCYXCCCX-XTEPFMGCSA-N 0 0 458.602 4.695 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)c12 ZINC001462241536 1068036609 /nfs/dbraw/zinc/03/66/09/1068036609.db2.gz PDSZPUOUHRYVCB-HNNXBMFYSA-N 0 0 456.587 4.818 20 0 JJADRN C[C@H](CCO)n1c2ccc(NCC(C)(C)CNC(=O)OC(C)(C)C)cc2nc1C(F)(F)F ZINC001462252901 1068038383 /nfs/dbraw/zinc/03/83/83/1068038383.db2.gz XOHOEWIKPYUOSN-CQSZACIVSA-N 0 0 458.525 4.961 20 0 JJADRN Cn1cc(Br)c(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1=O ZINC001462256452 1068038681 /nfs/dbraw/zinc/03/86/81/1068038681.db2.gz QLDVRRSHKNNTBU-HNNXBMFYSA-N 0 0 457.290 4.575 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001462256663 1068039626 /nfs/dbraw/zinc/03/96/26/1068039626.db2.gz CYLPCJKNEBWDPG-ZGBFETHSSA-N 0 0 452.904 4.698 20 0 JJADRN C[C@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462257725 1068039817 /nfs/dbraw/zinc/03/98/17/1068039817.db2.gz SKBRKVZKYTWCQH-MRXNPFEDSA-N 0 0 450.585 4.900 20 0 JJADRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)C1 ZINC001462258798 1068040252 /nfs/dbraw/zinc/04/02/52/1068040252.db2.gz KNYPKKUGKPBVGN-QFIPXVFZSA-N 0 0 452.501 4.696 20 0 JJADRN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCN(c2ccnc(F)c2)CC1 ZINC001462261128 1068040819 /nfs/dbraw/zinc/04/08/19/1068040819.db2.gz RKHNOWQAQWMNNC-UHFFFAOYSA-N 0 0 458.379 4.615 20 0 JJADRN CCCCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)c1ccc(Cl)nc1 ZINC001462264456 1068041034 /nfs/dbraw/zinc/04/10/34/1068041034.db2.gz WSOSDZVBUVYUKG-UHFFFAOYSA-N 0 0 459.793 4.738 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)cc1 ZINC001462264851 1068041340 /nfs/dbraw/zinc/04/13/40/1068041340.db2.gz FNDLVGYEFKVQEJ-HZPDHXFCSA-N 0 0 452.942 4.704 20 0 JJADRN Cc1ccc(Oc2cc(Br)ccc2CN2CCC(CS(C)(=O)=O)CC2)cc1 ZINC001462273019 1068041897 /nfs/dbraw/zinc/04/18/97/1068041897.db2.gz QQFAUIPPJJPSIR-UHFFFAOYSA-N 0 0 452.414 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC001462274105 1068041998 /nfs/dbraw/zinc/04/19/98/1068041998.db2.gz WHJBAXDQAOPDKR-GGAORHGYSA-N 0 0 455.599 4.554 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)c3cccc(C(F)(F)F)c32)cc1 ZINC001462283329 1068043546 /nfs/dbraw/zinc/04/35/46/1068043546.db2.gz WQICTWOUPFWMTG-UHFFFAOYSA-N 0 0 454.514 4.672 20 0 JJADRN CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)c1cccc(OC)c1OC ZINC001462291276 1068044656 /nfs/dbraw/zinc/04/46/56/1068044656.db2.gz DPPSDNMUAHEYOI-GOSISDBHSA-N 0 0 458.356 4.592 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@H]1CCO[C@@H]1C ZINC001462291873 1068044790 /nfs/dbraw/zinc/04/47/90/1068044790.db2.gz ANJCNOQGZJTEAE-YZBYQZESSA-N 0 0 456.970 4.864 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc(OC)c1OC ZINC001462292708 1068044858 /nfs/dbraw/zinc/04/48/58/1068044858.db2.gz HBLRAGZIZNMMDS-FZKQIMNGSA-N 0 0 451.350 4.631 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@@H]1CCO[C@H]1C ZINC001462291866 1068045098 /nfs/dbraw/zinc/04/50/98/1068045098.db2.gz ANJCNOQGZJTEAE-VARILPKDSA-N 0 0 456.970 4.864 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001462291891 1068045111 /nfs/dbraw/zinc/04/51/11/1068045111.db2.gz GMMYXTAXVKNGQY-ZETOZRRWSA-N 0 0 456.324 4.942 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc(OC)c1OC ZINC001462292716 1068045572 /nfs/dbraw/zinc/04/55/72/1068045572.db2.gz HBLRAGZIZNMMDS-UGSOOPFHSA-N 0 0 451.350 4.631 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@H]1CCO[C@@H]1C ZINC001462295531 1068045889 /nfs/dbraw/zinc/04/58/89/1068045889.db2.gz JYRMQLRGIACKFB-VGSWGCGISA-N 0 0 450.000 4.584 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@@H]1CCO[C@H]1C ZINC001462295525 1068045999 /nfs/dbraw/zinc/04/59/99/1068045999.db2.gz JYRMQLRGIACKFB-HTAPYJJXSA-N 0 0 450.000 4.584 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@@H]1CCO[C@@H]1C ZINC001462296385 1068046675 /nfs/dbraw/zinc/04/66/75/1068046675.db2.gz KOTPOIFDXBRERZ-IIBYNOLFSA-N 0 0 459.974 4.892 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)CCOc1cc(C)cc(C)c1C ZINC001462302001 1068047362 /nfs/dbraw/zinc/04/73/62/1068047362.db2.gz YSUZCGUCNQEJPA-IBGZPJMESA-N 0 0 454.386 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC2CCC3(CCCO3)CC2)CC1 ZINC001462307776 1068047683 /nfs/dbraw/zinc/04/76/83/1068047683.db2.gz ASVMZSFKYGDTFO-UHFFFAOYSA-N 0 0 459.631 4.522 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H](CCO)c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F ZINC001462308115 1068047873 /nfs/dbraw/zinc/04/78/73/1068047873.db2.gz YMWWPEXHMZAFRN-IBGZPJMESA-N 0 0 451.926 4.973 20 0 JJADRN CCCOc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c(OC)c1 ZINC001462310895 1068048739 /nfs/dbraw/zinc/04/87/39/1068048739.db2.gz RIBFTIIPRUAXMF-SFHVURJKSA-N 0 0 454.567 4.828 20 0 JJADRN Cn1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001462312860 1068049139 /nfs/dbraw/zinc/04/91/39/1068049139.db2.gz HZVNPWWQSGACAQ-FQEVSTJZSA-N 0 0 453.411 4.837 20 0 JJADRN O=S(=O)(NC[C@H]1CCCN(Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1)C1CC1 ZINC001462316421 1068050310 /nfs/dbraw/zinc/05/03/10/1068050310.db2.gz IMFMUGWRINTFNW-MRXNPFEDSA-N 0 0 452.979 4.565 20 0 JJADRN COC[C@@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1cccc(Br)c1 ZINC001462320412 1068050621 /nfs/dbraw/zinc/05/06/21/1068050621.db2.gz CTQINMKUPBJHRH-GOSISDBHSA-N 0 0 453.764 4.815 20 0 JJADRN COC[C@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1cccc(Br)c1 ZINC001462320413 1068050644 /nfs/dbraw/zinc/05/06/44/1068050644.db2.gz CTQINMKUPBJHRH-SFHVURJKSA-N 0 0 453.764 4.815 20 0 JJADRN COC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)nc1SC)c1cccc(Br)c1 ZINC001462322109 1068050725 /nfs/dbraw/zinc/05/07/25/1068050725.db2.gz IVWQSXFTMQOEJB-HNNXBMFYSA-N 0 0 452.418 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CSCc1coc(-c2ccccc2)n1 ZINC001462323118 1068050996 /nfs/dbraw/zinc/05/09/96/1068050996.db2.gz GEOADMIWWUQDLJ-WOJBJXKFSA-N 0 0 457.596 4.575 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001462325932 1068051582 /nfs/dbraw/zinc/05/15/82/1068051582.db2.gz LXSVFYMSVSVJLU-DLBZAZTESA-N 0 0 453.674 4.743 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC001462330986 1068052459 /nfs/dbraw/zinc/05/24/59/1068052459.db2.gz KHRWOHSMUKFPTG-UHFFFAOYSA-N 0 0 459.344 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001462330412 1068052550 /nfs/dbraw/zinc/05/25/50/1068052550.db2.gz VRAXMSWEIMJRBC-XLAORIBOSA-N 0 0 454.489 4.689 20 0 JJADRN O=C(C[C@H]1CCCC(=O)N1)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 ZINC001462334484 1068052988 /nfs/dbraw/zinc/05/29/88/1068052988.db2.gz OLTJPSRZXSGJMS-QGZVFWFLSA-N 0 0 457.361 4.903 20 0 JJADRN O=C(Nc1ccnn1CC1CCC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001462336520 1068053528 /nfs/dbraw/zinc/05/35/28/1068053528.db2.gz ALJJEJFWMIKTPV-UHFFFAOYSA-N 0 0 453.340 4.950 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Br)c(Br)c2)c1 ZINC001462341637 1068055196 /nfs/dbraw/zinc/05/51/96/1068055196.db2.gz OZXOBOUEEYADRK-TZMCWYRMSA-N 0 0 455.146 4.971 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c2cccc3OC)n1 ZINC001462341859 1068055223 /nfs/dbraw/zinc/05/52/23/1068055223.db2.gz QGDRGZKNYDCLRG-CPJLOUKISA-N 0 0 455.555 4.572 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Br)c(Br)c2)c1 ZINC001462341636 1068055242 /nfs/dbraw/zinc/05/52/42/1068055242.db2.gz OZXOBOUEEYADRK-OCCSQVGLSA-N 0 0 455.146 4.971 20 0 JJADRN COCc1cc(NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)ccc1OC ZINC001462343284 1068055596 /nfs/dbraw/zinc/05/55/96/1068055596.db2.gz BKABNMOZXMTMGJ-XFFZJAGNSA-N 0 0 452.507 4.686 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N3CCC[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cs2)c1 ZINC001462346367 1068055812 /nfs/dbraw/zinc/05/58/12/1068055812.db2.gz WTYJMBPNPKWJIB-FPOVZHCZSA-N 0 0 455.624 4.909 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H](COC)C2)CCOCC1 ZINC001546130986 1068056140 /nfs/dbraw/zinc/05/61/40/1068056140.db2.gz LFADYKXUTMGXBZ-INIZCTEOSA-N 0 0 483.476 4.839 20 0 JJADRN COc1cccc(Cl)c1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC001462348891 1068056538 /nfs/dbraw/zinc/05/65/38/1068056538.db2.gz TWYHTDFELVQWQM-UHFFFAOYSA-N 0 0 454.939 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(OCc3ccncc3)cc2)C1 ZINC001462348105 1068056631 /nfs/dbraw/zinc/05/66/31/1068056631.db2.gz HAYPXEXNPXXFBG-GGAORHGYSA-N 0 0 451.567 4.522 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cnc(Br)c(Br)c1 ZINC001462353790 1068057960 /nfs/dbraw/zinc/05/79/60/1068057960.db2.gz BULYKCHOWPXVNN-CABCVRRESA-N 0 0 474.580 4.910 20 0 JJADRN CC1(C)COc2cc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)ccc2NC1=O ZINC001462355168 1068058299 /nfs/dbraw/zinc/05/82/99/1068058299.db2.gz VXRBIMXYMSVFMT-UHFFFAOYSA-N 0 0 455.967 4.926 20 0 JJADRN O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(Br)cc(I)c1 ZINC001462356747 1068058387 /nfs/dbraw/zinc/05/83/87/1068058387.db2.gz DAHWQQUSZILQTO-VXGBXAGGSA-N 0 0 474.058 4.681 20 0 JJADRN CC(C)(C)OC(=O)C1CCN(c2ccc(CN3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)o2)CC1 ZINC001462362140 1068060223 /nfs/dbraw/zinc/06/02/23/1068060223.db2.gz CPLYHZFFOQFMFO-FYYLOGMGSA-N 0 0 461.002 4.799 20 0 JJADRN COC(=O)C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)c1cccc(C)c1 ZINC001462364995 1068060756 /nfs/dbraw/zinc/06/07/56/1068060756.db2.gz NDAVNXAYMRBORQ-DQEYMECFSA-N 0 0 458.558 4.585 20 0 JJADRN O=C(Nc1cccc2c1NC(=O)CO2)c1cccc(Sc2cccc(Br)c2)n1 ZINC001462384898 1068063956 /nfs/dbraw/zinc/06/39/56/1068063956.db2.gz KVWMZPGQSVFFOD-UHFFFAOYSA-N 0 0 456.321 4.579 20 0 JJADRN COc1ccc([C@@H]2COCCN2C(=O)CCCSc2ccc(Br)cc2)cc1 ZINC001462389310 1068064275 /nfs/dbraw/zinc/06/42/75/1068064275.db2.gz MYKFWBFRKTZEHK-FQEVSTJZSA-N 0 0 450.398 4.930 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC001462386967 1068064475 /nfs/dbraw/zinc/06/44/75/1068064475.db2.gz IWOIRRBXWXRCHA-AWEZNQCLSA-N 0 0 453.295 4.849 20 0 JJADRN COc1ccc(NC(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)cc1C(=O)c1ccccc1 ZINC001462392310 1068064664 /nfs/dbraw/zinc/06/46/64/1068064664.db2.gz BEIPHSCGKVERSY-UHFFFAOYSA-N 0 0 450.535 4.797 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C(C)C)C2)CCOCC1 ZINC001546131260 1068064846 /nfs/dbraw/zinc/06/48/46/1068064846.db2.gz UZKDEUQQGBJZBA-INIZCTEOSA-N 0 0 483.476 4.837 20 0 JJADRN COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1 ZINC001462392387 1068064878 /nfs/dbraw/zinc/06/48/78/1068064878.db2.gz BWRCAYIOMXUVQW-QFIPXVFZSA-N 0 0 450.922 4.786 20 0 JJADRN COC(=O)CCNC(=O)c1ccc(NCc2cc(F)ccc2Oc2cc(F)cc(F)c2)cc1 ZINC001462395228 1068065248 /nfs/dbraw/zinc/06/52/48/1068065248.db2.gz YEEXBXRXTHRBSP-UHFFFAOYSA-N 0 0 458.436 4.801 20 0 JJADRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1nc(Br)ccc1Br ZINC001462403015 1068066766 /nfs/dbraw/zinc/06/67/66/1068066766.db2.gz UULMMNMWFMHQFK-UHFFFAOYSA-N 0 0 457.141 4.988 20 0 JJADRN CC(C)(C)NS(=O)(=O)C1(CNc2cccc(Oc3ccc(Br)cc3)c2)CC1 ZINC001462407609 1068067007 /nfs/dbraw/zinc/06/70/07/1068067007.db2.gz DHLPYIVWXOELIZ-UHFFFAOYSA-N 0 0 453.402 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)c2cnc(Br)s2)C1(C)C ZINC001462409199 1068067549 /nfs/dbraw/zinc/06/75/49/1068067549.db2.gz FRXIZWAPYUSVJW-AWEZNQCLSA-N 0 0 452.374 4.910 20 0 JJADRN CC(C)(C)c1ccc(Br)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001462411021 1068068506 /nfs/dbraw/zinc/06/85/06/1068068506.db2.gz LIHVXEACINZNPU-UHFFFAOYSA-N 0 0 451.386 4.539 20 0 JJADRN Cc1nc(-c2ccc(C(=O)Nc3cc(Br)cc4c3NC(=O)CO4)s2)cs1 ZINC001462417132 1068070422 /nfs/dbraw/zinc/07/04/22/1068070422.db2.gz FDPJJHXVVOHXCN-UHFFFAOYSA-N 0 0 450.339 4.526 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CC12CCC2 ZINC001462419780 1068070756 /nfs/dbraw/zinc/07/07/56/1068070756.db2.gz GYVVOCSSQJANDV-DEOSSOPVSA-N 0 0 459.587 4.702 20 0 JJADRN Cc1ccc(-n2c(Cl)c(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)nc2N(C)C)cc1 ZINC001462427242 1068072108 /nfs/dbraw/zinc/07/21/08/1068072108.db2.gz OCNNHRPRWQBQLM-UHFFFAOYSA-N 0 0 450.027 4.635 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1cccc2ccccc21 ZINC001462429099 1068072679 /nfs/dbraw/zinc/07/26/79/1068072679.db2.gz UYRFRIFALWBZNX-OAQYLSRUSA-N 0 0 451.364 4.950 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001462429324 1068072755 /nfs/dbraw/zinc/07/27/55/1068072755.db2.gz XEOSYHHPHDIYCN-LJQANCHMSA-N 0 0 456.942 4.606 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001462427853 1068072807 /nfs/dbraw/zinc/07/28/07/1068072807.db2.gz RMXGSJNSCKUISM-YWZLYKJASA-N 0 0 459.384 4.718 20 0 JJADRN O=C(N[C@H](Cc1cccnc1)C1CCCC1)c1ccc(Cl)c(I)c1 ZINC001462433345 1068073753 /nfs/dbraw/zinc/07/37/53/1068073753.db2.gz IEXUHYGXWWTARZ-GOSISDBHSA-N 0 0 454.739 4.871 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)N2CCCCc3ccc(Br)cc32)C1)OCc1ccccc1 ZINC001462437668 1068074221 /nfs/dbraw/zinc/07/42/21/1068074221.db2.gz PFSSADIBZUILDF-PUZFROQSSA-N 0 0 457.368 4.823 20 0 JJADRN CCOc1cc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc(OCC)c1OCC ZINC001462445801 1068076303 /nfs/dbraw/zinc/07/63/03/1068076303.db2.gz TVLOQJCNAFREMB-FQEVSTJZSA-N 0 0 455.551 4.686 20 0 JJADRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001462447235 1068076463 /nfs/dbraw/zinc/07/64/63/1068076463.db2.gz SCNIZKHKHAKHGO-XJGOYTCSSA-N 0 0 450.623 4.643 20 0 JJADRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001462447233 1068076588 /nfs/dbraw/zinc/07/65/88/1068076588.db2.gz SCNIZKHKHAKHGO-WENCSYSZSA-N 0 0 450.623 4.643 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC001462453205 1068077991 /nfs/dbraw/zinc/07/79/91/1068077991.db2.gz FCOGNQGXRDUAGA-UHFFFAOYSA-N 0 0 451.885 4.640 20 0 JJADRN Cn1cc(CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)c2ccc(Br)cc2)cn1 ZINC001462456217 1068078286 /nfs/dbraw/zinc/07/82/86/1068078286.db2.gz DKXOADJZZDIFTN-FQEVSTJZSA-N 0 0 454.368 4.924 20 0 JJADRN OC1(c2ccc(Br)cc2)CN(Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC001462458746 1068078599 /nfs/dbraw/zinc/07/85/99/1068078599.db2.gz FPLUTLWOELOFEY-UHFFFAOYSA-N 0 0 454.137 4.535 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CC[C@H](c3nccs3)C2)cs1 ZINC001462461261 1068079469 /nfs/dbraw/zinc/07/94/69/1068079469.db2.gz GGAQYBDELMHFCA-NSHDSACASA-N 0 0 450.383 4.667 20 0 JJADRN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(Br)c(C)cc3C)C2)nc1C ZINC001462462014 1068079722 /nfs/dbraw/zinc/07/97/22/1068079722.db2.gz KHDVIYOAYCUFEO-AWEZNQCLSA-N 0 0 451.386 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCc3sccc3Br)ccc21 ZINC001462464855 1068080270 /nfs/dbraw/zinc/08/02/70/1068080270.db2.gz AWHNJSGFLOFONZ-UHFFFAOYSA-N 0 0 451.386 4.781 20 0 JJADRN C[C@]1(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)OCCc2ccccc21 ZINC001462467758 1068080475 /nfs/dbraw/zinc/08/04/75/1068080475.db2.gz MWCKWUMWTRNKFJ-HSZRJFAPSA-N 0 0 456.336 4.839 20 0 JJADRN O=C(NC1(c2ncccn2)CCC1)c1cc2cc(Br)cc(Br)c2o1 ZINC001462469475 1068080988 /nfs/dbraw/zinc/08/09/88/1068080988.db2.gz MWRKNCWOAMPGBS-UHFFFAOYSA-N 0 0 451.118 4.557 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc1 ZINC001462473850 1068081266 /nfs/dbraw/zinc/08/12/66/1068081266.db2.gz WTLIMEZGNXFCEG-XMMPIXPASA-N 0 0 451.611 4.549 20 0 JJADRN COc1ccc(-c2nc(C(=O)NCCc3sccc3Br)cs2)cc1OC ZINC001462472670 1068081378 /nfs/dbraw/zinc/08/13/78/1068081378.db2.gz SCFFGLSYBMOBNV-UHFFFAOYSA-N 0 0 453.383 4.624 20 0 JJADRN C[C@H](CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 ZINC001462483827 1068083224 /nfs/dbraw/zinc/08/32/24/1068083224.db2.gz ULSOFRBVFBYLKY-MSOLQXFVSA-N 0 0 455.986 4.832 20 0 JJADRN CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001462486890 1068083596 /nfs/dbraw/zinc/08/35/96/1068083596.db2.gz OECYBIMGOZCPKQ-VXKWHMMOSA-N 0 0 455.352 4.540 20 0 JJADRN Cc1ccc(CNC(=O)C[C@H](C)CCc2ccc(I)cc2)c(Cl)n1 ZINC001462494375 1068084812 /nfs/dbraw/zinc/08/48/12/1068084812.db2.gz QXRCLFUNICJCSW-CYBMUJFWSA-N 0 0 456.755 4.923 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1 ZINC001462499632 1068086274 /nfs/dbraw/zinc/08/62/74/1068086274.db2.gz CSLCNCORNQZXFV-LJQANCHMSA-N 0 0 450.963 4.898 20 0 JJADRN CC(C)(C)n1nnc(CC(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)n1 ZINC001462499440 1068086421 /nfs/dbraw/zinc/08/64/21/1068086421.db2.gz FJHVOXOKCKBRET-UHFFFAOYSA-N 0 0 452.317 4.525 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc3oc(C)nc3c2)cc1 ZINC001462500714 1068086665 /nfs/dbraw/zinc/08/66/65/1068086665.db2.gz NTGVEJCMKILEAF-OAQYLSRUSA-N 0 0 451.523 4.579 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)CC2)n1 ZINC001462506484 1068087726 /nfs/dbraw/zinc/08/77/26/1068087726.db2.gz SPDRLOGUICWMLZ-OAHLLOKOSA-N 0 0 450.988 4.530 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)n1 ZINC001462507763 1068087776 /nfs/dbraw/zinc/08/77/76/1068087776.db2.gz WIPUWRLULJJMBX-UHFFFAOYSA-N 0 0 453.029 4.688 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462510452 1068088194 /nfs/dbraw/zinc/08/81/94/1068088194.db2.gz MSUBKNCGXXVVEX-UHFFFAOYSA-N 0 0 451.405 4.692 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC001546132159 1068088393 /nfs/dbraw/zinc/08/83/93/1068088393.db2.gz XYHMBIMIVVXBNP-LJQANCHMSA-N 0 0 459.587 4.559 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)cc1 ZINC001462511565 1068088566 /nfs/dbraw/zinc/08/85/66/1068088566.db2.gz GXNUUMHOBAUVEN-BDTNDASRSA-N 0 0 456.583 4.993 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(Cc3cnn(Cc4ccccc4)c3Cl)CC2)n1 ZINC001462511240 1068088585 /nfs/dbraw/zinc/08/85/85/1068088585.db2.gz JVHVQGWJDRSNCM-UHFFFAOYSA-N 0 0 459.059 4.908 20 0 JJADRN O=S1(=NCc2cccc(NCc3cn(-c4ccc(Cl)cc4Cl)nn3)c2)CCCC1 ZINC001462511219 1068088709 /nfs/dbraw/zinc/08/87/09/1068088709.db2.gz JQLLPLARLAUFLF-UHFFFAOYSA-N 0 0 450.395 4.948 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccccc2I)cc1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001462514071 1068088846 /nfs/dbraw/zinc/08/88/46/1068088846.db2.gz HPXWNMWQJJAWSX-DJPFJPOOSA-N 0 0 488.369 4.781 20 0 JJADRN CN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001462517659 1068089928 /nfs/dbraw/zinc/08/99/28/1068089928.db2.gz PDRQBOWFEVZRFJ-UHFFFAOYSA-N 0 0 452.599 4.661 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3nc4ccc(F)cc4s3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462518917 1068090027 /nfs/dbraw/zinc/09/00/27/1068090027.db2.gz MLSHLTKUBABFNM-AZUAARDMSA-N 0 0 457.571 4.937 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CCCC1 ZINC001546132229 1068090374 /nfs/dbraw/zinc/09/03/74/1068090374.db2.gz AOCVHTKOOLAGIY-UHFFFAOYSA-N 0 0 467.536 4.712 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)nn1-c1ccc(Cl)cc1 ZINC001462519515 1068090422 /nfs/dbraw/zinc/09/04/22/1068090422.db2.gz ZFLRNEDRDRSJTK-UHFFFAOYSA-N 0 0 458.990 4.840 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CCCC1 ZINC001546132224 1068090756 /nfs/dbraw/zinc/09/07/56/1068090756.db2.gz AMDZYFCNWCCTJO-INIZCTEOSA-N 0 0 463.985 4.985 20 0 JJADRN Cc1cc(Oc2ccc(CN(C)C(=O)c3ccccc3OCC(N)=O)c(Cl)c2)ccc1F ZINC001462523459 1068090925 /nfs/dbraw/zinc/09/09/25/1068090925.db2.gz LBXBPLFGCSJZFG-UHFFFAOYSA-N 0 0 456.901 4.716 20 0 JJADRN COc1cccc2c1OCCC[C@H]2NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001462526710 1068092027 /nfs/dbraw/zinc/09/20/27/1068092027.db2.gz DMQLOJKEKBTOOA-NHCUHLMSSA-N 0 0 452.551 4.907 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N(C)Cc1cscc1Br ZINC001462528625 1068092452 /nfs/dbraw/zinc/09/24/52/1068092452.db2.gz HJEGPDJTNRXJJH-UHFFFAOYSA-N 0 0 450.354 4.525 20 0 JJADRN CCCOc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c(OCc2ccccc2)c1 ZINC001462530468 1068092808 /nfs/dbraw/zinc/09/28/08/1068092808.db2.gz HLHHHIFXGKWJOZ-QHCPKHFHSA-N 0 0 453.579 4.760 20 0 JJADRN CCCOc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(OCc2ccccc2)c1 ZINC001462530452 1068092859 /nfs/dbraw/zinc/09/28/59/1068092859.db2.gz HLHHHIFXGKWJOZ-HSZRJFAPSA-N 0 0 453.579 4.760 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001462532990 1068093293 /nfs/dbraw/zinc/09/32/93/1068093293.db2.gz OTBNMMWXQCONMT-VQTJNVASSA-N 0 0 469.500 4.993 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001462537038 1068093447 /nfs/dbraw/zinc/09/34/47/1068093447.db2.gz ZTJLBVAOYPXXGO-DLBZAZTESA-N 0 0 452.477 4.656 20 0 JJADRN Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001462537014 1068093489 /nfs/dbraw/zinc/09/34/89/1068093489.db2.gz NAPOPZFZOADSRG-SJORKVTESA-N 0 0 454.876 4.714 20 0 JJADRN Cc1c(C(=O)NCC(F)(F)c2cc(F)cc(F)c2)cnn1-c1ccc(Br)cc1 ZINC001462537957 1068093804 /nfs/dbraw/zinc/09/38/04/1068093804.db2.gz YWGZPAWQBHCRLI-UHFFFAOYSA-N 0 0 456.237 4.743 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001546132334 1068094445 /nfs/dbraw/zinc/09/44/45/1068094445.db2.gz FBEPZCWNKRAWHM-HNNXBMFYSA-N 0 0 451.384 4.900 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(Cc3ccnn3CCc3ccccc3)CC2)nc1C ZINC001462549043 1068095802 /nfs/dbraw/zinc/09/58/02/1068095802.db2.gz KCHHVDHBIDBYIB-UHFFFAOYSA-N 0 0 452.624 4.522 20 0 JJADRN CCOc1cc(CN2CCC(CC)(NC(=O)OC(C)(C)C)CC2)cc(Br)c1O ZINC001462548686 1068095831 /nfs/dbraw/zinc/09/58/31/1068095831.db2.gz WKTBJUBHHGSCOI-UHFFFAOYSA-N 0 0 457.409 4.823 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 ZINC001546132386 1068096493 /nfs/dbraw/zinc/09/64/93/1068096493.db2.gz HDJMUOPVSIMTIQ-HNNXBMFYSA-N 0 0 450.414 4.924 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)O[C@H](COC)C2)CCCC1 ZINC001546132392 1068097160 /nfs/dbraw/zinc/09/71/60/1068097160.db2.gz HGSFGFRNNFAHAW-MJGOQNOKSA-N 0 0 463.022 4.818 20 0 JJADRN COc1ccc(CNCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c(Br)c1O ZINC001462556421 1068097384 /nfs/dbraw/zinc/09/73/84/1068097384.db2.gz GIJKBFFLDQANTI-UHFFFAOYSA-N 0 0 455.324 4.939 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)COCC(=O)OC(C)(C)C ZINC001462554124 1068097717 /nfs/dbraw/zinc/09/77/17/1068097717.db2.gz ZEWJRJWCVKBPRH-UHFFFAOYSA-N 0 0 455.885 4.727 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCn3ccc(C(F)(F)F)n3)cc12 ZINC001462566075 1068099511 /nfs/dbraw/zinc/09/95/11/1068099511.db2.gz ANGRHTDMHVRMMP-UHFFFAOYSA-N 0 0 453.877 4.694 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc2c1O[C@H](C)C2 ZINC001462565606 1068099661 /nfs/dbraw/zinc/09/96/61/1068099661.db2.gz KSEIVIDYOBYCHZ-SJORKVTESA-N 0 0 452.551 4.677 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570167 1068100636 /nfs/dbraw/zinc/10/06/36/1068100636.db2.gz STJNAQZFHOTRJM-AZUAARDMSA-N 0 0 457.615 4.507 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570169 1068100685 /nfs/dbraw/zinc/10/06/85/1068100685.db2.gz STJNAQZFHOTRJM-QUCCMNQESA-N 0 0 457.615 4.507 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC[C@@H](C(F)(F)F)O1 ZINC001462574000 1068100979 /nfs/dbraw/zinc/10/09/79/1068100979.db2.gz YMSCLPOTKMHNJW-SJCJKPOMSA-N 0 0 459.262 4.818 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N=S(C)(C)=O)c2ccccc21 ZINC001462573519 1068101067 /nfs/dbraw/zinc/10/10/67/1068101067.db2.gz WMQYSAOMASHTFL-KRWDZBQOSA-N 0 0 457.596 4.705 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(C(F)(F)F)nc1 ZINC001462577460 1068102467 /nfs/dbraw/zinc/10/24/67/1068102467.db2.gz CYMFILSKOXNLFY-SSDOTTSWSA-N 0 0 453.056 4.511 20 0 JJADRN CCOc1cc(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC001462579519 1068103226 /nfs/dbraw/zinc/10/32/26/1068103226.db2.gz VUZGPONEJIERBY-UONOGXRCSA-N 0 0 452.901 4.579 20 0 JJADRN CC(=O)N(c1nc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cs1)c1cccc(Cl)c1 ZINC001462589822 1068105749 /nfs/dbraw/zinc/10/57/49/1068105749.db2.gz KRXMKODNUJVTFQ-GDZMOAKWSA-N 0 0 450.004 4.543 20 0 JJADRN COc1ccc(-n2nnc(C(=O)N3c4ccc(Br)cc4CCC3(C)C)c2C)cc1 ZINC001462591716 1068107003 /nfs/dbraw/zinc/10/70/03/1068107003.db2.gz ZJPXHVQAUUILFB-UHFFFAOYSA-N 0 0 455.356 4.718 20 0 JJADRN Cn1cc(CN2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592329 1068107017 /nfs/dbraw/zinc/10/70/17/1068107017.db2.gz OGFHDJGTGPPRKJ-ZWKOTPCHSA-N 0 0 456.484 4.504 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)C[C@H]1C(F)(F)F ZINC001462591891 1068107133 /nfs/dbraw/zinc/10/71/33/1068107133.db2.gz WZCBDWONQAYRPD-MDZRGWNJSA-N 0 0 473.850 4.799 20 0 JJADRN CCOc1c(Br)cc(C(=O)NCc2ccc(C)c(Br)c2)cc1OC ZINC001462593345 1068107635 /nfs/dbraw/zinc/10/76/35/1068107635.db2.gz IJQDFRLEJFFAPZ-UHFFFAOYSA-N 0 0 457.162 4.857 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)c(I)cc1Cl ZINC001462595854 1068108159 /nfs/dbraw/zinc/10/81/59/1068108159.db2.gz FFIAYTBDMCKGGL-AWEZNQCLSA-N 0 0 459.686 4.686 20 0 JJADRN CN1c2cc(NCC3CCN(C(=O)OCc4ccccc4)CC3)ccc2OCC(C)(C)C1=O ZINC001462606634 1068110798 /nfs/dbraw/zinc/11/07/98/1068110798.db2.gz UEYLIBABHJJVCX-UHFFFAOYSA-N 0 0 451.567 4.529 20 0 JJADRN CC(C)Cn1nccc1CN1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001462611935 1068112348 /nfs/dbraw/zinc/11/23/48/1068112348.db2.gz KTIWFIRHZPXKBT-UHFFFAOYSA-N 0 0 454.615 4.703 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3CCCSC[C@@H]3c3ccccc3OC)CC2=O)cc1 ZINC001462617284 1068112829 /nfs/dbraw/zinc/11/28/29/1068112829.db2.gz DYXHLNGZFCVWRN-NFBKMPQASA-N 0 0 452.620 4.707 20 0 JJADRN CCc1ccc(Br)c(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 ZINC001462616449 1068112979 /nfs/dbraw/zinc/11/29/79/1068112979.db2.gz DODDVIAARZSMDU-KRWDZBQOSA-N 0 0 453.789 4.819 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CCOCC1 ZINC001546132867 1068114110 /nfs/dbraw/zinc/11/41/10/1068114110.db2.gz YHANJNNQAOBVKY-MGBGTMOVSA-N 0 0 488.057 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cccc(NC(=O)c4cccs4)c3)CCC[C@@H]12 ZINC001462621646 1068114157 /nfs/dbraw/zinc/11/41/57/1068114157.db2.gz CACRQUHPGPWVDD-DVECYGJZSA-N 0 0 455.580 4.662 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC001462625648 1068116160 /nfs/dbraw/zinc/11/61/60/1068116160.db2.gz FSWCUZSNQZLIKT-UHFFFAOYSA-N 0 0 451.995 4.624 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1 ZINC001462626590 1068116263 /nfs/dbraw/zinc/11/62/63/1068116263.db2.gz JFCBKHMRCFUZSC-HXUWFJFHSA-N 0 0 455.599 4.606 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC001462627856 1068116866 /nfs/dbraw/zinc/11/68/66/1068116866.db2.gz OPEAEJJLYQMTEN-LJQANCHMSA-N 0 0 454.970 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]2C1 ZINC001462629780 1068117505 /nfs/dbraw/zinc/11/75/05/1068117505.db2.gz PPIIUUJFNBUBFD-UKRRQHHQSA-N 0 0 474.237 4.900 20 0 JJADRN C[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631150 1068118266 /nfs/dbraw/zinc/11/82/66/1068118266.db2.gz UFOJBAKTOIISLX-LSDHHAIUSA-N 0 0 454.402 4.557 20 0 JJADRN Cc1ncc(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c(C2CC2)n1 ZINC001462635815 1068120196 /nfs/dbraw/zinc/12/01/96/1068120196.db2.gz QWORLPKAVNECSE-XMSQKQJNSA-N 0 0 456.631 4.988 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001462636715 1068120202 /nfs/dbraw/zinc/12/02/02/1068120202.db2.gz VPIPDLJVWIYSER-CYBMUJFWSA-N 0 0 453.174 4.827 20 0 JJADRN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](Nc2ccc(OCCOC)c(Br)c2)C1 ZINC001462637046 1068120829 /nfs/dbraw/zinc/12/08/29/1068120829.db2.gz ZOAPWXAQNYYEEA-KGLIPLIRSA-N 0 0 450.320 4.643 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001462641322 1068121586 /nfs/dbraw/zinc/12/15/86/1068121586.db2.gz GEHVNWFIGNJGTQ-UHFFFAOYSA-N 0 0 458.290 4.787 20 0 JJADRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001462639830 1068121651 /nfs/dbraw/zinc/12/16/51/1068121651.db2.gz FSDYTTXTTJVEAY-AWEZNQCLSA-N 0 0 457.246 4.565 20 0 JJADRN O=C1Nc2ccc(F)cc2C2(CN(Cc3cc(Br)cc(Br)c3)C2)O1 ZINC001462644796 1068122351 /nfs/dbraw/zinc/12/23/51/1068122351.db2.gz QCQWOVSNUXALQB-UHFFFAOYSA-N 0 0 456.109 4.624 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC001462652034 1068124503 /nfs/dbraw/zinc/12/45/03/1068124503.db2.gz DESIABOUFLWYJC-YIXXDRMTSA-N 0 0 452.595 4.545 20 0 JJADRN COc1ccccc1N1CCCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC001462652996 1068125274 /nfs/dbraw/zinc/12/52/74/1068125274.db2.gz IOBXKOWRCLDZTJ-UHFFFAOYSA-N 0 0 454.206 4.933 20 0 JJADRN Cc1ccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c(Sc2ccccc2)c1 ZINC001462652471 1068125309 /nfs/dbraw/zinc/12/53/09/1068125309.db2.gz GNYRBEQABGYIRX-VWLOTQADSA-N 0 0 456.608 4.902 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462653128 1068125341 /nfs/dbraw/zinc/12/53/41/1068125341.db2.gz GOSCZFJFCRXRMH-ZFWWWQNUSA-N 0 0 450.288 4.776 20 0 JJADRN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H]1C(F)(F)F ZINC001462663033 1068127214 /nfs/dbraw/zinc/12/72/14/1068127214.db2.gz LZACTULAKVKLIX-CHWSQXEVSA-N 0 0 465.346 4.659 20 0 JJADRN COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676107 1068128520 /nfs/dbraw/zinc/12/85/20/1068128520.db2.gz VVSJVLAMXMZPQF-NRFANRHFSA-N 0 0 456.583 4.681 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462677928 1068129284 /nfs/dbraw/zinc/12/92/84/1068129284.db2.gz PDKCKJYFQSSGFZ-IWETWMNASA-N 0 0 458.382 4.546 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1 ZINC001462677729 1068129291 /nfs/dbraw/zinc/12/92/91/1068129291.db2.gz ORPAQLXFOSBVPA-PIATZUFCSA-N 0 0 450.579 4.598 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N[C@@H](C)c3cc(Cl)cc(Cl)c3F)cn2)cc1OC ZINC001462679944 1068129881 /nfs/dbraw/zinc/12/98/81/1068129881.db2.gz RNYXJFYHHGDHIC-LBPRGKRZSA-N 0 0 452.313 4.886 20 0 JJADRN COc1ccc([C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C ZINC001462679581 1068129929 /nfs/dbraw/zinc/12/99/29/1068129929.db2.gz HDMALQOKYJLXFL-JTSKRJEESA-N 0 0 451.567 4.798 20 0 JJADRN CN(C)[C@H](CCNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001462684230 1068131346 /nfs/dbraw/zinc/13/13/46/1068131346.db2.gz CPCGEWVKAFVUCZ-CQSZACIVSA-N 0 0 451.917 4.879 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC001462684219 1068131444 /nfs/dbraw/zinc/13/14/44/1068131444.db2.gz CLFOPCYKJHLVTO-UHFFFAOYSA-N 0 0 452.711 4.674 20 0 JJADRN O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2o1 ZINC001462694622 1068134182 /nfs/dbraw/zinc/13/41/82/1068134182.db2.gz PJUDPWNKMXVIOE-UHFFFAOYSA-N 0 0 452.328 4.684 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001462698595 1068135041 /nfs/dbraw/zinc/13/50/41/1068135041.db2.gz OKNMKDCWRQTTRI-GOSISDBHSA-N 0 0 455.437 4.992 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001462698597 1068135071 /nfs/dbraw/zinc/13/50/71/1068135071.db2.gz OKNMKDCWRQTTRI-SFHVURJKSA-N 0 0 455.437 4.992 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001462702332 1068135722 /nfs/dbraw/zinc/13/57/22/1068135722.db2.gz VBVPDKUFZCFYOR-UHFFFAOYSA-N 0 0 453.944 4.848 20 0 JJADRN O=C(N[C@H]1CCOc2ccc(Br)cc21)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001462703836 1068136520 /nfs/dbraw/zinc/13/65/20/1068136520.db2.gz GCCQALREPHCLNF-HNNXBMFYSA-N 0 0 452.761 4.662 20 0 JJADRN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 ZINC001462705357 1068137062 /nfs/dbraw/zinc/13/70/62/1068137062.db2.gz BWIKJYTVCZWWLI-MRXNPFEDSA-N 0 0 455.386 4.624 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001462707018 1068137593 /nfs/dbraw/zinc/13/75/93/1068137593.db2.gz IWELBTDAWPAKQL-LBPRGKRZSA-N 0 0 457.440 4.997 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N2C[C@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)Oc2ccccc21 ZINC001462706852 1068137819 /nfs/dbraw/zinc/13/78/19/1068137819.db2.gz GQHHGUADKGWLME-BLVKFPJESA-N 0 0 452.860 4.698 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(OC3CCCC3)c2)CC2(CCOCC2)C1 ZINC001462717564 1068140562 /nfs/dbraw/zinc/14/05/62/1068140562.db2.gz AHHIGRRGXULDAP-FQEVSTJZSA-N 0 0 458.599 4.544 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)Oc2cc(C=O)c(Br)cc2OC)c(CC)c1 ZINC001462717128 1068140658 /nfs/dbraw/zinc/14/06/58/1068140658.db2.gz WEHDRDGPPWOHTJ-UHFFFAOYSA-N 0 0 455.370 4.725 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC001462718270 1068141336 /nfs/dbraw/zinc/14/13/36/1068141336.db2.gz NJMUAMOUXINOOX-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c(Br)c1 ZINC001462719283 1068141720 /nfs/dbraw/zinc/14/17/20/1068141720.db2.gz UGPHBXGJUYFLEZ-UHFFFAOYSA-N 0 0 454.125 4.700 20 0 JJADRN CC(C)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)cc1Cl ZINC001462719753 1068141797 /nfs/dbraw/zinc/14/17/97/1068141797.db2.gz IICAHGWDEPERMV-GOSISDBHSA-N 0 0 451.007 4.999 20 0 JJADRN O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001462720551 1068141818 /nfs/dbraw/zinc/14/18/18/1068141818.db2.gz SDYQEGMGXULMEY-UHFFFAOYSA-N 0 0 456.419 4.647 20 0 JJADRN COc1cc(S(=O)(=O)N[C@H](C)c2cccc3ccccc32)c(OC)cc1Br ZINC001462721933 1068142415 /nfs/dbraw/zinc/14/24/15/1068142415.db2.gz VQZPSYZKNLOYEK-CYBMUJFWSA-N 0 0 450.354 4.659 20 0 JJADRN Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(=O)NCC(C)(C)C)ccc3Cl)ccc12 ZINC001462723500 1068142656 /nfs/dbraw/zinc/14/26/56/1068142656.db2.gz RDNFNOLQEOIVMP-UHFFFAOYSA-N 0 0 456.926 4.548 20 0 JJADRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001462723400 1068142852 /nfs/dbraw/zinc/14/28/52/1068142852.db2.gz OZYMETJTOCVGEY-HKBOAZHASA-N 0 0 456.627 4.898 20 0 JJADRN COc1cccc([C@H](CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)N2CCCC2)c1 ZINC001462727077 1068144609 /nfs/dbraw/zinc/14/46/09/1068144609.db2.gz DJZSDUUNDJXJCJ-IBGZPJMESA-N 0 0 457.423 4.734 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c(C)c1Cl ZINC001462726917 1068144776 /nfs/dbraw/zinc/14/47/76/1068144776.db2.gz WLMKZRPAHZAHPA-UHFFFAOYSA-N 0 0 451.012 4.743 20 0 JJADRN O=C(NCc1nc(Cc2ccccc2F)no1)c1ccc(Br)cc1C(F)(F)F ZINC001462729220 1068145842 /nfs/dbraw/zinc/14/58/42/1068145842.db2.gz KHXQWCKZLCDDHB-UHFFFAOYSA-N 0 0 458.209 4.511 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC001462729312 1068145959 /nfs/dbraw/zinc/14/59/59/1068145959.db2.gz IXBLJBMNWOYVBV-UHFFFAOYSA-N 0 0 451.591 4.550 20 0 JJADRN Cc1c(C(=O)NCc2cc(C(F)(F)F)ccc2Br)nnn1-c1cccc(C)c1 ZINC001462733317 1068147576 /nfs/dbraw/zinc/14/75/76/1068147576.db2.gz MHNSILMFFBKHFJ-UHFFFAOYSA-N 0 0 453.262 4.595 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1 ZINC001462734882 1068147616 /nfs/dbraw/zinc/14/76/16/1068147616.db2.gz LCIHHJLMRWWUAX-UHFFFAOYSA-N 0 0 452.016 4.870 20 0 JJADRN CC1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cccs2)CC1 ZINC001462735253 1068148280 /nfs/dbraw/zinc/14/82/80/1068148280.db2.gz UWSZJPHRIMYQJL-INIZCTEOSA-N 0 0 450.523 4.658 20 0 JJADRN CC1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cccs2)CC1 ZINC001462735262 1068148318 /nfs/dbraw/zinc/14/83/18/1068148318.db2.gz UWSZJPHRIMYQJL-MRXNPFEDSA-N 0 0 450.523 4.658 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1nc2ccccc2s1 ZINC001462736115 1068148919 /nfs/dbraw/zinc/14/89/19/1068148919.db2.gz AOKMXANLUDSQLP-UHFFFAOYSA-N 0 0 455.399 4.668 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)NCc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001462736813 1068148940 /nfs/dbraw/zinc/14/89/40/1068148940.db2.gz TZLWMUKBCNMDCW-UHFFFAOYSA-N 0 0 450.295 4.844 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001462737921 1068149534 /nfs/dbraw/zinc/14/95/34/1068149534.db2.gz CKETZVMFVCGNHF-LHSJRXKWSA-N 0 0 466.559 4.516 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCCCn3cnc4ccccc43)cc2)cc1 ZINC001462741071 1068150620 /nfs/dbraw/zinc/15/06/20/1068150620.db2.gz SIJVHNSPUYQUGS-UHFFFAOYSA-N 0 0 453.589 4.919 20 0 JJADRN CCc1ccc([C@H](NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462746524 1068152993 /nfs/dbraw/zinc/15/29/93/1068152993.db2.gz SQPVKEXGGRVRCP-LADGPHEKSA-N 0 0 458.624 4.524 20 0 JJADRN O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001462748757 1068153713 /nfs/dbraw/zinc/15/37/13/1068153713.db2.gz TUMMBFDTEURPFP-UHFFFAOYSA-N 0 0 450.988 4.714 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)NCCCCOc1ccc(Cl)cc1 ZINC001462755593 1068156505 /nfs/dbraw/zinc/15/65/05/1068156505.db2.gz VQJHDABCSONMBD-UHFFFAOYSA-N 0 0 450.757 4.688 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(CCCO)CC2)CCCC1 ZINC001546134054 1068156510 /nfs/dbraw/zinc/15/65/10/1068156510.db2.gz JSEOBPXBUDRSKM-UHFFFAOYSA-N 0 0 456.631 4.922 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC001462759052 1068157591 /nfs/dbraw/zinc/15/75/91/1068157591.db2.gz ONRINSFXTDTROK-RBBKRZOGSA-N 0 0 452.551 4.824 20 0 JJADRN CCCc1nc(C(=O)Nc2ccc(F)c(C(=O)OC)c2Cl)nn1-c1ccccc1Cl ZINC001462759440 1068157657 /nfs/dbraw/zinc/15/76/57/1068157657.db2.gz AZGXRVSGMJBAHQ-UHFFFAOYSA-N 0 0 451.285 4.705 20 0 JJADRN Cc1cccc(C(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)c1I ZINC001462760747 1068158203 /nfs/dbraw/zinc/15/82/03/1068158203.db2.gz TXERETIZNKQEEH-UHFFFAOYSA-N 0 0 457.315 4.980 20 0 JJADRN O=S(=O)(Cc1ccc(C2CCCCC2)cc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC001462760283 1068158330 /nfs/dbraw/zinc/15/83/30/1068158330.db2.gz BJPAURWDKPVBEA-UHFFFAOYSA-N 0 0 450.000 4.821 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC001462762342 1068158800 /nfs/dbraw/zinc/15/88/00/1068158800.db2.gz QRUSKCIQNVBNLM-UHFFFAOYSA-N 0 0 450.285 4.608 20 0 JJADRN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cc(C)c(-c3ccccc3)s1)C2 ZINC001462763683 1068159584 /nfs/dbraw/zinc/15/95/84/1068159584.db2.gz MFEHYYWKNWBZEY-UYXZNNOOSA-N 0 0 484.618 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC001462766364 1068160170 /nfs/dbraw/zinc/16/01/70/1068160170.db2.gz HZPIYPZSPIGWOV-HZPDHXFCSA-N 0 0 450.448 4.731 20 0 JJADRN Cc1cc(C(=O)NCCc2ccc3ncccc3c2)c(I)cc1Cl ZINC001462764996 1068160216 /nfs/dbraw/zinc/16/02/16/1068160216.db2.gz RSWNHUKCOMWFDG-UHFFFAOYSA-N 0 0 450.707 4.774 20 0 JJADRN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)cc21 ZINC001462767373 1068160740 /nfs/dbraw/zinc/16/07/40/1068160740.db2.gz STMIQXKHINPEKJ-DEOSSOPVSA-N 0 0 454.979 4.707 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001462769041 1068161264 /nfs/dbraw/zinc/16/12/64/1068161264.db2.gz UNVMYBYIEZDRIX-NRFANRHFSA-N 0 0 451.567 4.792 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001462769029 1068161290 /nfs/dbraw/zinc/16/12/90/1068161290.db2.gz GATWLYNVEGCJDQ-LZLYRXPVSA-N 0 0 453.421 4.637 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)nnc1-c1ccccc1 ZINC001462769519 1068161870 /nfs/dbraw/zinc/16/18/70/1068161870.db2.gz PEIFVVCRSAITSX-LIRRHRJNSA-N 0 0 456.509 4.901 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(Oc2cccc(F)c2)cn1 ZINC001462769732 1068161906 /nfs/dbraw/zinc/16/19/06/1068161906.db2.gz MDVSKVITOVZSAN-IFMALSPDSA-N 0 0 459.443 4.806 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Br ZINC001462770975 1068162343 /nfs/dbraw/zinc/16/23/43/1068162343.db2.gz VBFNBIGQQPUIBC-CXAGYDPISA-N 0 0 463.244 4.520 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462770982 1068162390 /nfs/dbraw/zinc/16/23/90/1068162390.db2.gz VOOUDVYPMJMUKN-DENIHFKCSA-N 0 0 465.594 4.586 20 0 JJADRN COCCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001462770627 1068162506 /nfs/dbraw/zinc/16/25/06/1068162506.db2.gz LDIUVJKFKFXOHN-UHFFFAOYSA-N 0 0 459.214 4.655 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC001462770100 1068162516 /nfs/dbraw/zinc/16/25/16/1068162516.db2.gz OMZYAFMRMVSHEH-TZIWHRDSSA-N 0 0 462.903 4.627 20 0 JJADRN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(OCc2cscn2)c1 ZINC001462771048 1068162953 /nfs/dbraw/zinc/16/29/53/1068162953.db2.gz YOPUWTYVPUAWPB-NHCUHLMSSA-N 0 0 461.509 4.515 20 0 JJADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462771035 1068163079 /nfs/dbraw/zinc/16/30/79/1068163079.db2.gz XXQRTPWXQWDBNP-YXJHDRRASA-N 0 0 465.566 4.956 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1nc2ccccc2n1C(F)F ZINC001462774073 1068163583 /nfs/dbraw/zinc/16/35/83/1068163583.db2.gz AVFRUNUBAXBVQW-SECBINFHSA-N 0 0 453.364 4.509 20 0 JJADRN CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)cc1 ZINC001462777554 1068165246 /nfs/dbraw/zinc/16/52/46/1068165246.db2.gz SPYSYIMJVJOJCQ-UHFFFAOYSA-N 0 0 450.491 4.855 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001462777954 1068165345 /nfs/dbraw/zinc/16/53/45/1068165345.db2.gz PBLRKAOLVJKBHG-UHFFFAOYSA-N 0 0 454.777 4.547 20 0 JJADRN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001462787578 1068167503 /nfs/dbraw/zinc/16/75/03/1068167503.db2.gz FAPQXDPSTZYYBS-XXBNENTESA-N 0 0 450.514 4.678 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001462790280 1068167962 /nfs/dbraw/zinc/16/79/62/1068167962.db2.gz BZWUTCVHVFGGOO-ZDUSSCGKSA-N 0 0 459.370 4.750 20 0 JJADRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC001462789326 1068168033 /nfs/dbraw/zinc/16/80/33/1068168033.db2.gz CZCQPNHKKJLMGA-LJQANCHMSA-N 0 0 453.944 4.785 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(-c2cccs2)nc1C)c1ccccc1OC(F)(F)F ZINC001462796493 1068170147 /nfs/dbraw/zinc/17/01/47/1068170147.db2.gz ZNMVMHIIFZNUQI-SFHVURJKSA-N 0 0 450.438 4.661 20 0 JJADRN O=C(Nc1ccc(CC(=O)N(CC(F)F)C2CCC2)cc1)c1ccc(Br)cc1 ZINC001462798359 1068170649 /nfs/dbraw/zinc/17/06/49/1068170649.db2.gz QVCHLIMGOUTCKB-UHFFFAOYSA-N 0 0 451.311 4.890 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1cc(Br)ccc1Cl ZINC001462797141 1068170709 /nfs/dbraw/zinc/17/07/09/1068170709.db2.gz VZGAFROKSFEEIG-UHFFFAOYSA-N 0 0 454.748 4.789 20 0 JJADRN COc1ccc2ccccc2c1CNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC001462802533 1068171249 /nfs/dbraw/zinc/17/12/49/1068171249.db2.gz MTJKNUUQWVVGCB-UHFFFAOYSA-N 0 0 454.773 4.884 20 0 JJADRN CN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001462806747 1068172221 /nfs/dbraw/zinc/17/22/21/1068172221.db2.gz KWUCGJXEIGIDCB-KGLIPLIRSA-N 0 0 465.775 4.755 20 0 JJADRN C[C@H](CC(F)(F)F)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001462804382 1068172318 /nfs/dbraw/zinc/17/23/18/1068172318.db2.gz GJJTZACXIHVSEO-LLVKDONJSA-N 0 0 459.262 4.654 20 0 JJADRN COc1ccc(C(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c2ccc(OC)cc2)cc1 ZINC001462812339 1068173371 /nfs/dbraw/zinc/17/33/71/1068173371.db2.gz AVJYJCVOLUEWGJ-UHFFFAOYSA-N 0 0 453.560 4.610 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC001462816858 1068175678 /nfs/dbraw/zinc/17/56/78/1068175678.db2.gz NILRPUVYAKEDHV-MLGOLLRUSA-N 0 0 455.354 4.552 20 0 JJADRN O=S(=O)(CC[C@@H]1CCc2ccccc21)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001462821837 1068176777 /nfs/dbraw/zinc/17/67/77/1068176777.db2.gz GVVNGXATZOLGKG-AVRDEDQJSA-N 0 0 451.007 4.656 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC001462824277 1068178037 /nfs/dbraw/zinc/17/80/37/1068178037.db2.gz LUUMDCRNPTUUEV-UONOGXRCSA-N 0 0 454.461 4.919 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1cc2sccc2s1 ZINC001462825985 1068178402 /nfs/dbraw/zinc/17/84/02/1068178402.db2.gz XKEVEWDGBPLSMP-UHFFFAOYSA-N 0 0 450.339 4.802 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001462826061 1068178454 /nfs/dbraw/zinc/17/84/54/1068178454.db2.gz OXTBJRWBZHUMBG-SIKLNZKXSA-N 0 0 457.864 4.507 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)sc2C)cc1 ZINC001462825754 1068178541 /nfs/dbraw/zinc/17/85/41/1068178541.db2.gz JORAHYCVYKXKPL-NZQKXSOJSA-N 0 0 456.514 4.712 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccon2)CCOCC1 ZINC001546134364 1068179183 /nfs/dbraw/zinc/17/91/83/1068179183.db2.gz UIMUQLIPXIOGCU-UHFFFAOYSA-N 0 0 460.376 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSc2ccc3c(c2)CCC3)CC[C@@H]1C(F)(F)F ZINC001462827074 1068179200 /nfs/dbraw/zinc/17/92/00/1068179200.db2.gz QDMWEKHFFDQOLI-ZWKOTPCHSA-N 0 0 458.546 4.572 20 0 JJADRN CCN(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC001462826587 1068179211 /nfs/dbraw/zinc/17/92/11/1068179211.db2.gz WXBJXRQJWDEPJH-UHFFFAOYSA-N 0 0 452.787 4.883 20 0 JJADRN CC(C)C[C@H](C(=O)N1CCc2ccc(Br)c(F)c2C1)N1Cc2ccccc2C1=O ZINC001462827772 1068180091 /nfs/dbraw/zinc/18/00/91/1068180091.db2.gz ASKUJXJUIZUQEW-HXUWFJFHSA-N 0 0 459.359 4.544 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C(=C/c3ccc(OC(F)F)cc3)c3ccccc3)O2)[C@H]1C ZINC001462839709 1068185866 /nfs/dbraw/zinc/18/58/66/1068185866.db2.gz JNTBNTXCZHLBAB-UJENRBMVSA-N 0 0 457.517 4.917 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001462840730 1068186204 /nfs/dbraw/zinc/18/62/04/1068186204.db2.gz QCXIYDBJVMYBPX-HOCLYGCPSA-N 0 0 452.498 4.846 20 0 JJADRN Cc1sc2ncn(CCC(=O)N[C@H](C)c3cccc(SC(F)(F)F)c3)c(=O)c2c1C ZINC001462840749 1068186266 /nfs/dbraw/zinc/18/62/66/1068186266.db2.gz QDEVCDSVDKIBOB-GFCCVEGCSA-N 0 0 455.527 4.954 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001462842656 1068186826 /nfs/dbraw/zinc/18/68/26/1068186826.db2.gz HWVMIDXMCGQNCX-UYAOXDASSA-N 0 0 480.634 4.893 20 0 JJADRN CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC001462843324 1068187407 /nfs/dbraw/zinc/18/74/07/1068187407.db2.gz DOCXTEQMOQLLMU-UHFFFAOYSA-N 0 0 456.391 4.959 20 0 JJADRN O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001462844916 1068187954 /nfs/dbraw/zinc/18/79/54/1068187954.db2.gz OLEZIMLWNXTQAZ-OAQYLSRUSA-N 0 0 459.493 4.974 20 0 JJADRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC001462848722 1068189373 /nfs/dbraw/zinc/18/93/73/1068189373.db2.gz MEEMBJOHRLVFIT-CYBMUJFWSA-N 0 0 458.349 4.537 20 0 JJADRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC001462849645 1068189914 /nfs/dbraw/zinc/18/99/14/1068189914.db2.gz ZUKWWEDKWBBDDC-IBGZPJMESA-N 0 0 453.963 4.617 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)c2cc(F)ccc2OC(F)F)ccc1OC1CCCC1 ZINC001462852507 1068190479 /nfs/dbraw/zinc/19/04/79/1068190479.db2.gz VXQCSMLIQAJJBU-CYBMUJFWSA-N 0 0 459.486 4.797 20 0 JJADRN Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)o1 ZINC001462851817 1068190499 /nfs/dbraw/zinc/19/04/99/1068190499.db2.gz DFGBMORYUXLWAL-UHFFFAOYSA-N 0 0 454.264 4.602 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C(C)(C)C ZINC001462851755 1068190536 /nfs/dbraw/zinc/19/05/36/1068190536.db2.gz IZLHYHCAKSZXDX-UHFFFAOYSA-N 0 0 459.656 4.883 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3COC(C)(C)C)cc2)C1 ZINC001462852156 1068191074 /nfs/dbraw/zinc/19/10/74/1068191074.db2.gz PSZQMUKELIMLNP-RTBURBONSA-N 0 0 458.624 4.921 20 0 JJADRN O=S(=O)(NCCc1ccc(OC(F)(F)F)cc1)c1cc(Br)ccc1Cl ZINC001462853801 1068191685 /nfs/dbraw/zinc/19/16/85/1068191685.db2.gz NYJQWTIVSTUBQW-UHFFFAOYSA-N 0 0 458.683 4.522 20 0 JJADRN CCCc1c(C(=O)Oc2ccc3cnccc3c2)nnn1Cc1cccc(Br)c1 ZINC001462853271 1068191710 /nfs/dbraw/zinc/19/17/10/1068191710.db2.gz POVCATVUHQTFPP-UHFFFAOYSA-N 0 0 451.324 4.809 20 0 JJADRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001462853576 1068191765 /nfs/dbraw/zinc/19/17/65/1068191765.db2.gz ZZKYNBVTHIZUJK-NSHDSACASA-N 0 0 458.765 4.801 20 0 JJADRN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2scc(Br)c2Br)cc1 ZINC001462855296 1068192461 /nfs/dbraw/zinc/19/24/61/1068192461.db2.gz UBYHMDBWBDLRPW-JTQLQIEISA-N 0 0 453.221 4.963 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C4CCCCC4)cc3)CC2)nc1 ZINC001462856178 1068192900 /nfs/dbraw/zinc/19/29/00/1068192900.db2.gz HCOAYINQHNEBIY-UHFFFAOYSA-N 0 0 455.624 4.618 20 0 JJADRN COC(=O)c1c(C)ccc2c1N(C(=O)CSc1nnc(-c3ccc(Cl)cc3)o1)CCC2 ZINC001462860010 1068193998 /nfs/dbraw/zinc/19/39/98/1068193998.db2.gz ARVVQIWICFEEIQ-UHFFFAOYSA-N 0 0 457.939 4.557 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001462862490 1068194522 /nfs/dbraw/zinc/19/45/22/1068194522.db2.gz RWUCSEKVXNLZAA-MRXNPFEDSA-N 0 0 453.178 4.606 20 0 JJADRN CCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccn2)cc1 ZINC001462864632 1068195732 /nfs/dbraw/zinc/19/57/32/1068195732.db2.gz FXNKARUCPZQCSI-UHFFFAOYSA-N 0 0 456.564 4.847 20 0 JJADRN CC(C)(C)OCc1ccccc1NC(=O)c1cnn(C(C)(C)C)c1I ZINC001462865959 1068196179 /nfs/dbraw/zinc/19/61/79/1068196179.db2.gz QALIRUNQJGINAS-UHFFFAOYSA-N 0 0 455.340 4.810 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](CC)c1cc(F)ccc1OC ZINC001462866039 1068196189 /nfs/dbraw/zinc/19/61/89/1068196189.db2.gz WASPWLYCOCCWKW-QAPCUYQASA-N 0 0 453.601 4.766 20 0 JJADRN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)N1CCCCC1 ZINC001462866454 1068196278 /nfs/dbraw/zinc/19/62/78/1068196278.db2.gz AOXLTHAFRMMPIC-XMMPIXPASA-N 0 0 458.624 4.522 20 0 JJADRN COc1cc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)sc1Br ZINC001462868570 1068196735 /nfs/dbraw/zinc/19/67/35/1068196735.db2.gz DYWBYVJMCUFRKC-NRFANRHFSA-N 0 0 453.177 4.579 20 0 JJADRN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1c[nH]c2c1cccc2Br ZINC001462869138 1068197351 /nfs/dbraw/zinc/19/73/51/1068197351.db2.gz OJDMWMIQFTVDCV-UHFFFAOYSA-N 0 0 457.777 4.673 20 0 JJADRN O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CCCc2cc(Br)ccc21 ZINC001462878866 1068200251 /nfs/dbraw/zinc/20/02/51/1068200251.db2.gz LYZYKNZVVYPYKG-UHFFFAOYSA-N 0 0 455.683 4.658 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c(C)c1 ZINC001462878004 1068200586 /nfs/dbraw/zinc/20/05/86/1068200586.db2.gz ZGJAUIJJNXMMFW-LJQANCHMSA-N 0 0 455.576 4.939 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C ZINC001462878945 1068200621 /nfs/dbraw/zinc/20/06/21/1068200621.db2.gz MQSCDJRPOHZVQQ-KRWDZBQOSA-N 0 0 456.539 4.743 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC001462879688 1068201195 /nfs/dbraw/zinc/20/11/95/1068201195.db2.gz ZNMPHQKHWDFSAB-UHFFFAOYSA-N 0 0 458.967 4.526 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cc1 ZINC001462882010 1068201632 /nfs/dbraw/zinc/20/16/32/1068201632.db2.gz KRWGTVQUXUURLV-MHZLTWQESA-N 0 0 451.386 4.618 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)N(C)CCCCCc3cc(-c4cccc(F)c4)n[nH]3)cc2o1 ZINC001462880607 1068201728 /nfs/dbraw/zinc/20/17/28/1068201728.db2.gz MQHHUCXCXFBFCZ-UHFFFAOYSA-N 0 0 456.543 4.699 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N=[S@@](C)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462883110 1068202116 /nfs/dbraw/zinc/20/21/16/1068202116.db2.gz WHFCTMWWGGDHRJ-DTDOIZJWSA-N 0 0 450.963 4.851 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N=[S@](C)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462883120 1068202137 /nfs/dbraw/zinc/20/21/37/1068202137.db2.gz WHFCTMWWGGDHRJ-QWMYNDFQSA-N 0 0 450.963 4.851 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1cccc2c1CCN2C(=O)C(F)(F)F ZINC001462882766 1068202156 /nfs/dbraw/zinc/20/21/56/1068202156.db2.gz JZTUGWMEFJUESF-UHFFFAOYSA-N 0 0 459.237 4.611 20 0 JJADRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001462882980 1068202169 /nfs/dbraw/zinc/20/21/69/1068202169.db2.gz CAWZVJHKHLWZLF-UHFFFAOYSA-N 0 0 453.392 4.635 20 0 JJADRN O=C(Cc1ccc(I)cc1)Nc1nc2c(s1)CCc1sccc1-2 ZINC001462883342 1068202218 /nfs/dbraw/zinc/20/22/18/1068202218.db2.gz PVDDIQJZKGNIOI-UHFFFAOYSA-N 0 0 452.342 4.756 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC001462884846 1068202692 /nfs/dbraw/zinc/20/26/92/1068202692.db2.gz TUDWKRUDKKCFOL-AREMUKBSSA-N 0 0 452.761 4.894 20 0 JJADRN Cc1cccc([C@H]2CCCN2S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)c1 ZINC001462886393 1068203163 /nfs/dbraw/zinc/20/31/63/1068203163.db2.gz JUCVXZVLKGVLLL-DNQXCXABSA-N 0 0 456.608 4.653 20 0 JJADRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001462888468 1068203922 /nfs/dbraw/zinc/20/39/22/1068203922.db2.gz ROXKOPHTVUXWIP-UHFFFAOYSA-N 0 0 451.466 4.985 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001462888070 1068203990 /nfs/dbraw/zinc/20/39/90/1068203990.db2.gz SJRGLLIQCZUMJH-UHFFFAOYSA-N 0 0 453.608 4.824 20 0 JJADRN O=S(=O)(NCc1cccc(Cn2cccn2)c1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001462889509 1068204451 /nfs/dbraw/zinc/20/44/51/1068204451.db2.gz KBAXCYKLBVCQCP-UHFFFAOYSA-N 0 0 453.951 4.856 20 0 JJADRN O=S(=O)(c1c2ncsc2ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001462891836 1068204911 /nfs/dbraw/zinc/20/49/11/1068204911.db2.gz ZSMMVNWTIDIEPG-YUMQZZPRSA-N 0 0 452.829 4.701 20 0 JJADRN COc1ccc([C@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1C ZINC001462893115 1068205378 /nfs/dbraw/zinc/20/53/78/1068205378.db2.gz KDPCWSQGXRAQBA-OALUTQOASA-N 0 0 453.560 4.961 20 0 JJADRN Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462893333 1068205447 /nfs/dbraw/zinc/20/54/47/1068205447.db2.gz WITNTJMHGWRRHN-GOSISDBHSA-N 0 0 456.564 4.523 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c2ccccc12 ZINC001462893550 1068205533 /nfs/dbraw/zinc/20/55/33/1068205533.db2.gz WTOJLEJZSQDAIA-UHFFFAOYSA-N 0 0 453.539 4.631 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c(F)c(F)c1F ZINC001462894842 1068206029 /nfs/dbraw/zinc/20/60/29/1068206029.db2.gz MTZQPNOCWKSFPM-HNNXBMFYSA-N 0 0 453.392 4.722 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c(F)cc1Br ZINC001462895815 1068206624 /nfs/dbraw/zinc/20/66/24/1068206624.db2.gz YEHDUVRFBSFMFD-AWEZNQCLSA-N 0 0 458.393 4.940 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC001462898108 1068207696 /nfs/dbraw/zinc/20/76/96/1068207696.db2.gz AVKSGMJHAUQFAG-GOSISDBHSA-N 0 0 452.605 4.597 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC001462899056 1068208125 /nfs/dbraw/zinc/20/81/25/1068208125.db2.gz HZLKJUBPQGNKQS-UHFFFAOYSA-N 0 0 457.115 4.632 20 0 JJADRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(I)s1)c1cccs1 ZINC001462903196 1068209218 /nfs/dbraw/zinc/20/92/18/1068209218.db2.gz QFAGNRQZELHLQS-CQSZACIVSA-N 0 0 455.408 4.870 20 0 JJADRN C[C@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(OCC(F)(F)F)cc1 ZINC001462901379 1068209255 /nfs/dbraw/zinc/20/92/55/1068209255.db2.gz YAAJVGKYGPTDFD-JTQLQIEISA-N 0 0 456.255 4.569 20 0 JJADRN CCN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC001462904043 1068209761 /nfs/dbraw/zinc/20/97/61/1068209761.db2.gz WARIIVQFQHTWBC-UHFFFAOYSA-N 0 0 458.649 4.817 20 0 JJADRN O=S(=O)(NCc1cccc(COc2ccccc2)c1)c1ccc(F)c(Br)c1 ZINC001462903249 1068209848 /nfs/dbraw/zinc/20/98/48/1068209848.db2.gz QPBRJSAEIJPJIO-UHFFFAOYSA-N 0 0 450.329 4.646 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CCOc2ccccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135038 1068209979 /nfs/dbraw/zinc/20/99/79/1068209979.db2.gz MHMKHVQNBOLDGS-PGRDOPGGSA-N 0 0 453.341 4.768 20 0 JJADRN CCOC(=O)c1oc(NC(=O)c2cc(C)c(Br)c(Cl)c2)nc1C(F)(F)F ZINC001462904329 1068210583 /nfs/dbraw/zinc/21/05/83/1068210583.db2.gz DUONJOBYTALSDI-UHFFFAOYSA-N 0 0 455.614 4.847 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135084 1068210894 /nfs/dbraw/zinc/21/08/94/1068210894.db2.gz NCZUHLKOZZTLEG-APWZRJJASA-N 0 0 458.839 4.684 20 0 JJADRN Cc1cnc(Br)c(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1 ZINC001462905676 1068211182 /nfs/dbraw/zinc/21/11/82/1068211182.db2.gz GDRNZFMADRIGMQ-OAQYLSRUSA-N 0 0 454.368 4.628 20 0 JJADRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)Cc1cc(OC)ns1 ZINC001462910155 1068211551 /nfs/dbraw/zinc/21/15/51/1068211551.db2.gz PQJITVBYOWPHPG-HXUWFJFHSA-N 0 0 452.548 4.913 20 0 JJADRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC001462910320 1068211648 /nfs/dbraw/zinc/21/16/48/1068211648.db2.gz WKNBZTIURDNNSD-ZDUSSCGKSA-N 0 0 451.928 4.653 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)Cc1cc(OC)ns1 ZINC001462910144 1068211661 /nfs/dbraw/zinc/21/16/61/1068211661.db2.gz PQJITVBYOWPHPG-FQEVSTJZSA-N 0 0 452.548 4.913 20 0 JJADRN COCCCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC001462911659 1068212217 /nfs/dbraw/zinc/21/22/17/1068212217.db2.gz UUFSNPXGYYTPRT-UHFFFAOYSA-N 0 0 451.386 4.548 20 0 JJADRN COc1ccccc1C1(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)CCCC1 ZINC001462912250 1068212635 /nfs/dbraw/zinc/21/26/35/1068212635.db2.gz MOOIQEDZRAAYAR-UHFFFAOYSA-N 0 0 450.000 4.928 20 0 JJADRN CC(C)CC(=O)Nc1cccc(CNS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC001462916225 1068213054 /nfs/dbraw/zinc/21/30/54/1068213054.db2.gz MATRKRFAIHOGQO-UHFFFAOYSA-N 0 0 459.793 4.566 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)c1 ZINC001462915393 1068213069 /nfs/dbraw/zinc/21/30/69/1068213069.db2.gz ZCFGBKORVZBPFY-UHFFFAOYSA-N 0 0 453.157 4.890 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC001462916424 1068213196 /nfs/dbraw/zinc/21/31/96/1068213196.db2.gz QCGXCNRYTUZXHZ-UHFFFAOYSA-N 0 0 455.477 4.667 20 0 JJADRN CO[C@]1(CNC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)CCSC1 ZINC001462917650 1068213701 /nfs/dbraw/zinc/21/37/01/1068213701.db2.gz OJSWZTCLWCGELJ-NRFANRHFSA-N 0 0 450.391 4.648 20 0 JJADRN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)nc2F)[C@H]1C ZINC001462920492 1068214753 /nfs/dbraw/zinc/21/47/53/1068214753.db2.gz KFERFVBLHOMSSR-YCPHGPKFSA-N 0 0 454.951 4.618 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)nc2F)[C@@H]1C ZINC001462920490 1068214761 /nfs/dbraw/zinc/21/47/61/1068214761.db2.gz KFERFVBLHOMSSR-IIAWOOMASA-N 0 0 454.951 4.618 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1cc(Br)ccc1C1=NCCO1 ZINC001462920831 1068214774 /nfs/dbraw/zinc/21/47/74/1068214774.db2.gz WXNUCIAGZUOZRZ-UHFFFAOYSA-N 0 0 458.139 4.940 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3cccc4cccc2c43)c1 ZINC001462923381 1068216137 /nfs/dbraw/zinc/21/61/37/1068216137.db2.gz HXEOIZJZLRALLG-OAQYLSRUSA-N 0 0 456.995 4.987 20 0 JJADRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001462928542 1068217673 /nfs/dbraw/zinc/21/76/73/1068217673.db2.gz RVWLKKFYLDIYNH-AWEZNQCLSA-N 0 0 456.391 4.770 20 0 JJADRN C[C@@H]1Cc2cccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)c2O1 ZINC001462930640 1068218658 /nfs/dbraw/zinc/21/86/58/1068218658.db2.gz SGCNYQMNBZQIQP-QVKFZJNVSA-N 0 0 458.377 4.840 20 0 JJADRN COc1cccc(S(=O)(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1F ZINC001462932359 1068219763 /nfs/dbraw/zinc/21/97/63/1068219763.db2.gz BEYJLYBJLNCPCQ-UHFFFAOYSA-N 0 0 450.507 4.662 20 0 JJADRN O=S(=O)(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Br)cc1F ZINC001462933278 1068220319 /nfs/dbraw/zinc/22/03/19/1068220319.db2.gz ZIAVWVUPICUVOF-OAHLLOKOSA-N 0 0 450.276 4.546 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1oc2ccccc2c1Br ZINC001462934711 1068220719 /nfs/dbraw/zinc/22/07/19/1068220719.db2.gz IYKZXOTYLWBPCF-OAHLLOKOSA-N 0 0 450.354 4.600 20 0 JJADRN O=C(Nc1cccc(CNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)c1)C1CCCCC1 ZINC001462934302 1068220825 /nfs/dbraw/zinc/22/08/25/1068220825.db2.gz FFKTYQOBSKKIMK-UHFFFAOYSA-N 0 0 457.983 4.886 20 0 JJADRN CC1(C)CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c2ccccc21 ZINC001462936858 1068221282 /nfs/dbraw/zinc/22/12/82/1068221282.db2.gz PJUFOMJWSQZPTM-UZLBHIALSA-N 0 0 450.000 4.846 20 0 JJADRN CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001462936106 1068221350 /nfs/dbraw/zinc/22/13/50/1068221350.db2.gz CGUZJZDUUZKCGB-UHFFFAOYSA-N 0 0 458.246 4.957 20 0 JJADRN CN(C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccc(Br)cc1 ZINC001462943996 1068223384 /nfs/dbraw/zinc/22/33/84/1068223384.db2.gz KGDUMKAGKLQYEJ-UHFFFAOYSA-N 0 0 454.361 4.728 20 0 JJADRN Cc1c(C(=O)NC(C2CCCC2)C2CCCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462944908 1068223931 /nfs/dbraw/zinc/22/39/31/1068223931.db2.gz VSZRPYAWSFUPRL-UHFFFAOYSA-N 0 0 459.635 4.637 20 0 JJADRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001462947896 1068225075 /nfs/dbraw/zinc/22/50/75/1068225075.db2.gz HOHJXPQMEPCZKF-UHFFFAOYSA-N 0 0 450.771 4.690 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c2cccnc12 ZINC001462948290 1068225485 /nfs/dbraw/zinc/22/54/85/1068225485.db2.gz JJHJLVBYIANTTN-NRFANRHFSA-N 0 0 454.498 4.784 20 0 JJADRN O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)N2CCC[C@@H]2CC2CCCCC2)C1 ZINC001462948205 1068225736 /nfs/dbraw/zinc/22/57/36/1068225736.db2.gz LGCLJYAVGZYVQS-FGZHOGPDSA-N 0 0 453.048 4.709 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1 ZINC001462949684 1068226129 /nfs/dbraw/zinc/22/61/29/1068226129.db2.gz ZNHDMUDITRWPNA-MRXNPFEDSA-N 0 0 457.489 4.833 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)NCC(C)(C)c3ccc(Cl)c(Cl)c3)cc21 ZINC001462954951 1068228750 /nfs/dbraw/zinc/22/87/50/1068228750.db2.gz WRLVBLGCDFSWDR-UHFFFAOYSA-N 0 0 455.407 4.549 20 0 JJADRN CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001462954979 1068228863 /nfs/dbraw/zinc/22/88/63/1068228863.db2.gz XJXJUPHLMPKCOD-ITAUSPCMSA-N 0 0 450.645 4.512 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)c1 ZINC001462961635 1068230195 /nfs/dbraw/zinc/23/01/95/1068230195.db2.gz GHFPYIWUNNGKKU-GOSISDBHSA-N 0 0 452.414 4.551 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 ZINC001462961637 1068230252 /nfs/dbraw/zinc/23/02/52/1068230252.db2.gz GHFPYIWUNNGKKU-SFHVURJKSA-N 0 0 452.414 4.551 20 0 JJADRN COC(=O)[C@](C)(NC(=O)Cc1csc2sc(C)cc12)c1cccc(Br)c1 ZINC001462964500 1068231630 /nfs/dbraw/zinc/23/16/30/1068231630.db2.gz OAGSVXYAUYBUQD-LJQANCHMSA-N 0 0 452.395 4.781 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3)nc2)c(F)cc1Br ZINC001462967972 1068232386 /nfs/dbraw/zinc/23/23/86/1068232386.db2.gz OSMPVBQMQONWPW-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1c(C)cc(C)cc1C)c1ccc(Br)c(Cl)c1 ZINC001462965768 1068232432 /nfs/dbraw/zinc/23/24/32/1068232432.db2.gz QQPUYYYCECJRFV-HXUWFJFHSA-N 0 0 452.776 4.991 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2ncsc2C(F)(F)F)C1 ZINC001462971253 1068233388 /nfs/dbraw/zinc/23/33/88/1068233388.db2.gz CDFOIDLZFQSKEZ-CYBMUJFWSA-N 0 0 455.502 4.896 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)c2cncc(Cl)c2)c2ccccc21 ZINC001462974214 1068234587 /nfs/dbraw/zinc/23/45/87/1068234587.db2.gz GKZUTZDGUSAVJH-IEBWSBKVSA-N 0 0 457.958 4.505 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1Cl ZINC001462975798 1068235033 /nfs/dbraw/zinc/23/50/33/1068235033.db2.gz NIOYHCZEAOVSGG-HNNXBMFYSA-N 0 0 452.363 4.920 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001462975372 1068235116 /nfs/dbraw/zinc/23/51/16/1068235116.db2.gz KXADIFIJSAFXPH-WINIVTDRSA-N 0 0 450.579 4.847 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)cc2)cc1 ZINC001462976788 1068235624 /nfs/dbraw/zinc/23/56/24/1068235624.db2.gz AQHLOZIUJWGYHT-HSZRJFAPSA-N 0 0 456.564 4.504 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)cc2)cc1 ZINC001462976789 1068235713 /nfs/dbraw/zinc/23/57/13/1068235713.db2.gz AQHLOZIUJWGYHT-QHCPKHFHSA-N 0 0 456.564 4.504 20 0 JJADRN Cc1cc(F)cc(C(=O)N2C[C@@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001462977973 1068236209 /nfs/dbraw/zinc/23/62/09/1068236209.db2.gz PAXWDFFEBPXZIG-TZIWHRDSSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1cc(F)cc(C(=O)N2C[C@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001462977452 1068236379 /nfs/dbraw/zinc/23/63/79/1068236379.db2.gz PAXWDFFEBPXZIG-PZJWPPBQSA-N 0 0 454.542 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)CCc2cccs2)c2ccccc21 ZINC001462978612 1068236808 /nfs/dbraw/zinc/23/68/08/1068236808.db2.gz QFESPNQSVZRUGU-RBUKOAKNSA-N 0 0 456.608 4.837 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)C[C@@H](C)CC(F)(F)F)cc1 ZINC001462978835 1068236922 /nfs/dbraw/zinc/23/69/22/1068236922.db2.gz HWBUNHTZIVKBGM-JXFKEZNVSA-N 0 0 454.514 4.673 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001462979874 1068237362 /nfs/dbraw/zinc/23/73/62/1068237362.db2.gz RJSCAVKUSVKKQP-VQTJNVASSA-N 0 0 454.542 4.904 20 0 JJADRN CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981200 1068237389 /nfs/dbraw/zinc/23/73/89/1068237389.db2.gz HIRUUWZCHBPYNS-QFIPXVFZSA-N 0 0 455.649 4.875 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1Br ZINC001462979389 1068237467 /nfs/dbraw/zinc/23/74/67/1068237467.db2.gz DGEBQTDIPIMTDA-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN CCn1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC001462980714 1068237548 /nfs/dbraw/zinc/23/75/48/1068237548.db2.gz GRSLSBUGARHZJO-HXUWFJFHSA-N 0 0 459.591 4.514 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC001462981409 1068238039 /nfs/dbraw/zinc/23/80/39/1068238039.db2.gz PBJLNDFSEJSUHX-UHFFFAOYSA-N 0 0 458.971 4.905 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001462981625 1068238106 /nfs/dbraw/zinc/23/81/06/1068238106.db2.gz YCRANPUIRHSXBW-MSOLQXFVSA-N 0 0 453.461 4.974 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC001462982496 1068238571 /nfs/dbraw/zinc/23/85/71/1068238571.db2.gz RGICMKMGJMZDRR-GAJHUEQPSA-N 0 0 456.608 4.714 20 0 JJADRN C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001462985561 1068240009 /nfs/dbraw/zinc/24/00/09/1068240009.db2.gz QFZUMVDXTBTASA-QMMMGPOBSA-N 0 0 458.592 4.714 20 0 JJADRN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001462986977 1068240382 /nfs/dbraw/zinc/24/03/82/1068240382.db2.gz NBVMMVCXQPBPEK-BGYRXZFFSA-N 0 0 455.352 4.620 20 0 JJADRN Cn1ncc(NC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)c1I ZINC001462986988 1068240532 /nfs/dbraw/zinc/24/05/32/1068240532.db2.gz YMGYSXBXOVSIFM-UHFFFAOYSA-N 0 0 457.743 4.810 20 0 JJADRN CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC001462988551 1068241122 /nfs/dbraw/zinc/24/11/22/1068241122.db2.gz FFZMSYKQCMGMHZ-AEFFLSMTSA-N 0 0 459.543 4.621 20 0 JJADRN CC[C@H](C(=O)N1CCC(NS(=O)(=O)c2c(C)ccc3ccccc32)CC1)c1ccccc1 ZINC001462993560 1068242580 /nfs/dbraw/zinc/24/25/80/1068242580.db2.gz KNMQPMXKGWUNKZ-QHCPKHFHSA-N 0 0 450.604 4.611 20 0 JJADRN COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)CC[C@@H]2CCc3ccccc32)cc1OC ZINC001462994258 1068242617 /nfs/dbraw/zinc/24/26/17/1068242617.db2.gz XNMHPLNHAOTGCW-GOTSBHOMSA-N 0 0 457.636 4.941 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC001462993579 1068242643 /nfs/dbraw/zinc/24/26/43/1068242643.db2.gz IAFPJUJCOKKLOJ-UHFFFAOYSA-N 0 0 457.346 4.624 20 0 JJADRN CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC001462998870 1068244499 /nfs/dbraw/zinc/24/44/99/1068244499.db2.gz DFRGFZYGKVJLCN-UHFFFAOYSA-N 0 0 454.283 4.904 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N(C)Cc3cc(Br)ccc3F)ccc2nc1Cl ZINC001463000433 1068245043 /nfs/dbraw/zinc/24/50/43/1068245043.db2.gz UXFNSQFDJGVZHI-UHFFFAOYSA-N 0 0 457.752 4.919 20 0 JJADRN COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC001463003148 1068245563 /nfs/dbraw/zinc/24/55/63/1068245563.db2.gz DCSIZSDZCVATJD-UHFFFAOYSA-N 0 0 450.000 4.824 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)NCc1ccc(OCc3cccc(F)c3)cc1)CC2 ZINC001463004002 1068246228 /nfs/dbraw/zinc/24/62/28/1068246228.db2.gz CURAKMDFXVNLLI-UHFFFAOYSA-N 0 0 453.535 4.820 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001463003272 1068246370 /nfs/dbraw/zinc/24/63/70/1068246370.db2.gz DNGXNZZVHQQZLB-OTWHNJEPSA-N 0 0 453.954 4.861 20 0 JJADRN Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC001463007296 1068248009 /nfs/dbraw/zinc/24/80/09/1068248009.db2.gz ITQMZHDUCTYYTI-CYBMUJFWSA-N 0 0 450.885 4.611 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)NCC3(c4ccc(Cl)cc4)CCC3)cc2N1 ZINC001463007879 1068248076 /nfs/dbraw/zinc/24/80/76/1068248076.db2.gz PGJGFNXKLQOFCB-UHFFFAOYSA-N 0 0 453.391 4.668 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546135812 1068249201 /nfs/dbraw/zinc/24/92/01/1068249201.db2.gz GXLVIBRTEUGWTE-RTBURBONSA-N 0 0 454.619 4.660 20 0 JJADRN CC(C)CC[C@H]1CCC[C@@H]1NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001463010238 1068249775 /nfs/dbraw/zinc/24/97/75/1068249775.db2.gz STNMSKOCONRSKK-PKTZIBPZSA-N 0 0 450.645 4.560 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC001463010114 1068249782 /nfs/dbraw/zinc/24/97/82/1068249782.db2.gz PIQWUHHNHBKHLB-UHFFFAOYSA-N 0 0 459.514 4.695 20 0 JJADRN COc1cc(Br)c(CNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC ZINC001463009928 1068249881 /nfs/dbraw/zinc/24/98/81/1068249881.db2.gz RXKQOPAQOQTAEQ-UHFFFAOYSA-N 0 0 456.402 4.551 20 0 JJADRN CC(C)CC[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001463010244 1068249892 /nfs/dbraw/zinc/24/98/92/1068249892.db2.gz STNMSKOCONRSKK-XZOQPEGZSA-N 0 0 450.645 4.560 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC(CC(=O)NC)CC2)CCC1 ZINC001546135863 1068250528 /nfs/dbraw/zinc/25/05/28/1068250528.db2.gz IGMQIMPKAKGSJV-UHFFFAOYSA-N 0 0 474.447 4.640 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001463012306 1068250975 /nfs/dbraw/zinc/25/09/75/1068250975.db2.gz BUYUDXWUCWCRON-GPUOULLFSA-N 0 0 456.652 4.852 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC001463012303 1068251005 /nfs/dbraw/zinc/25/10/05/1068251005.db2.gz BUYUDXWUCWCRON-FTBPSBKWSA-N 0 0 456.652 4.852 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001463013486 1068251522 /nfs/dbraw/zinc/25/15/22/1068251522.db2.gz UJVNBLIXQPEABN-CYBMUJFWSA-N 0 0 456.167 4.534 20 0 JJADRN O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001463017119 1068253237 /nfs/dbraw/zinc/25/32/37/1068253237.db2.gz IUKAXHYQYSYQBH-FQEVSTJZSA-N 0 0 450.329 4.504 20 0 JJADRN COC(=O)c1cc(OC)c(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)s1 ZINC001463030608 1068257364 /nfs/dbraw/zinc/25/73/64/1068257364.db2.gz DYMHQCLIODMFPR-UHFFFAOYSA-N 0 0 451.953 4.592 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC001463030305 1068257637 /nfs/dbraw/zinc/25/76/37/1068257637.db2.gz GGLUBMVEUYRERX-GOSISDBHSA-N 0 0 458.407 4.620 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)NC[C@H]3CCCCN3Cc3cccc(Cl)c3)cc2s1 ZINC001463035652 1068258690 /nfs/dbraw/zinc/25/86/90/1068258690.db2.gz BDAMFUWOKBHTOK-GOSISDBHSA-N 0 0 450.029 4.591 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)NC[C@@H]3CCCCN3Cc3cccc(Cl)c3)cc2s1 ZINC001463035654 1068258747 /nfs/dbraw/zinc/25/87/47/1068258747.db2.gz BDAMFUWOKBHTOK-SFHVURJKSA-N 0 0 450.029 4.591 20 0 JJADRN Cc1ccc(CS(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c(F)c1 ZINC001463038011 1068259535 /nfs/dbraw/zinc/25/95/35/1068259535.db2.gz FREKXRMIFHGSSW-UHFFFAOYSA-N 0 0 453.539 4.666 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC001463040515 1068260994 /nfs/dbraw/zinc/26/09/94/1068260994.db2.gz AZKAQJOMAGGQLM-CYBMUJFWSA-N 0 0 450.304 4.512 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC001463043415 1068262280 /nfs/dbraw/zinc/26/22/80/1068262280.db2.gz UFVFZQADXODSJS-MRXNPFEDSA-N 0 0 452.292 4.690 20 0 JJADRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3Oc3ccc(C)cc3)ccc21 ZINC001463045996 1068263817 /nfs/dbraw/zinc/26/38/17/1068263817.db2.gz CYVCWGHGPCDLDJ-UHFFFAOYSA-N 0 0 450.560 4.565 20 0 JJADRN CC(C)c1ccc([C@H](CNS(=O)(=O)CCc2cccs2)NC(=O)OC(C)(C)C)cc1 ZINC001463048204 1068265032 /nfs/dbraw/zinc/26/50/32/1068265032.db2.gz RCWBJNDQVJTLPH-FQEVSTJZSA-N 0 0 452.642 4.599 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)cc1 ZINC001463049194 1068265126 /nfs/dbraw/zinc/26/51/26/1068265126.db2.gz OQVATYVJNGUBJE-HKBQPEDESA-N 0 0 451.935 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CSc3cc(Cl)ccc3Cl)cc2C1 ZINC001463048081 1068265146 /nfs/dbraw/zinc/26/51/46/1068265146.db2.gz BWRNFYMFRBUTBT-UHFFFAOYSA-N 0 0 457.383 4.671 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001463049824 1068265510 /nfs/dbraw/zinc/26/55/10/1068265510.db2.gz QJNNXJYNEIPTCJ-AEPGYGRJSA-N 0 0 459.782 4.850 20 0 JJADRN CC(C)c1ccc([C@@H](CNS(=O)(=O)CC=C(Cl)Cl)NC(=O)OC(C)(C)C)cc1 ZINC001463049350 1068265575 /nfs/dbraw/zinc/26/55/75/1068265575.db2.gz WPXRKFGTFHCVDY-MRXNPFEDSA-N 0 0 451.416 4.614 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001463049829 1068265668 /nfs/dbraw/zinc/26/56/68/1068265668.db2.gz QJNNXJYNEIPTCJ-DJCSAQKLSA-N 0 0 459.782 4.850 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=[S@](C)(=O)c1cccc(Cl)c1 ZINC001463051746 1068266184 /nfs/dbraw/zinc/26/61/84/1068266184.db2.gz XCUFWPHCCJEDCE-SLGOVJDISA-N 0 0 456.995 4.860 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NS(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC001463053630 1068267258 /nfs/dbraw/zinc/26/72/58/1068267258.db2.gz KNCXCNJIFOPUKE-ZDUSSCGKSA-N 0 0 453.033 4.842 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001463054389 1068267374 /nfs/dbraw/zinc/26/73/74/1068267374.db2.gz LLPKHMMSSGEVEU-IBGZPJMESA-N 0 0 458.536 4.662 20 0 JJADRN CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1cnc2ccsc2c1 ZINC001463054124 1068267490 /nfs/dbraw/zinc/26/74/90/1068267490.db2.gz MIPDQFGFJOSMCH-HNNXBMFYSA-N 0 0 455.424 4.916 20 0 JJADRN Cc1c(Br)cccc1S(=O)(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001463054610 1068267976 /nfs/dbraw/zinc/26/79/76/1068267976.db2.gz OYIXKVHQAVUQFG-UHFFFAOYSA-N 0 0 456.358 4.550 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC001463054599 1068268002 /nfs/dbraw/zinc/26/80/02/1068268002.db2.gz HJHZFKDKKIBRSA-JLDZCNIISA-N 0 0 454.368 4.934 20 0 JJADRN O=S(=O)(N[C@H](COc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001463056274 1068268806 /nfs/dbraw/zinc/26/88/06/1068268806.db2.gz URZVPKPUQZPIRO-LJQANCHMSA-N 0 0 450.329 4.687 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001546136165 1068269950 /nfs/dbraw/zinc/26/99/50/1068269950.db2.gz SZOLTTUZIGJVAJ-UHFFFAOYSA-N 0 0 474.447 4.593 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)c12 ZINC001463061072 1068270464 /nfs/dbraw/zinc/27/04/64/1068270464.db2.gz DCSNCZVJNFFXDW-CPJLOUKISA-N 0 0 456.587 4.647 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)cc1C(C)(C)C ZINC001463062224 1068270979 /nfs/dbraw/zinc/27/09/79/1068270979.db2.gz CERGBYWONZLFEI-KRWDZBQOSA-N 0 0 456.649 4.697 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OC(F)(F)O3)CCC1 ZINC001463062295 1068271676 /nfs/dbraw/zinc/27/16/76/1068271676.db2.gz DZRFDVYEVBDKQJ-SFHVURJKSA-N 0 0 452.498 4.698 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001463064852 1068272749 /nfs/dbraw/zinc/27/27/49/1068272749.db2.gz CWVBINGORGCWLO-GOSISDBHSA-N 0 0 454.633 4.570 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001463063982 1068272849 /nfs/dbraw/zinc/27/28/49/1068272849.db2.gz LTDSADKRWYMBHO-DNQXCXABSA-N 0 0 454.636 4.636 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC001463066413 1068274174 /nfs/dbraw/zinc/27/41/74/1068274174.db2.gz NRODGYPWPHCYHD-FYYLOGMGSA-N 0 0 451.567 4.714 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001463066767 1068274798 /nfs/dbraw/zinc/27/47/98/1068274798.db2.gz URPSXNJCLOKNCY-QGZVFWFLSA-N 0 0 454.470 4.991 20 0 JJADRN COc1cccc(C2(CNS(=O)(=O)Cc3cc(F)ccc3Br)CCCC2)c1 ZINC001463068082 1068274824 /nfs/dbraw/zinc/27/48/24/1068274824.db2.gz OZFIHUVDHSHBAO-UHFFFAOYSA-N 0 0 456.377 4.528 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 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1068301596 /nfs/dbraw/zinc/30/15/96/1068301596.db2.gz YOQOWGJTSNODBN-UGKGYDQZSA-N 0 0 459.327 4.585 20 0 JJADRN C[C@@]1(Cc2ccc(I)cc2)CCCN1C(=O)CSCC(F)(F)F ZINC001463144686 1068301825 /nfs/dbraw/zinc/30/18/25/1068301825.db2.gz WZBJOUWJKGJBDU-HNNXBMFYSA-N 0 0 457.299 4.510 20 0 JJADRN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001463151126 1068304064 /nfs/dbraw/zinc/30/40/64/1068304064.db2.gz UHHPMOMEEXMMNE-UHFFFAOYSA-N 0 0 452.894 4.735 20 0 JJADRN COCc1csc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)c1 ZINC001463150182 1068304214 /nfs/dbraw/zinc/30/42/14/1068304214.db2.gz NKDBWVUTIUNXIN-LJQANCHMSA-N 0 0 455.361 4.737 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCCc3ccc4c(c3)CCCC4)CC2)C1 ZINC001463150570 1068304454 /nfs/dbraw/zinc/30/44/54/1068304454.db2.gz SDOBATWSDMDNIN-UHFFFAOYSA-N 0 0 456.627 4.515 20 0 JJADRN CO[C@]12CCC[C@@]1(C(=O)Nc1cccc(NC(=O)c3ccc(Br)cc3)c1)CCO2 ZINC001463153359 1068305302 /nfs/dbraw/zinc/30/53/02/1068305302.db2.gz WEBZEPSFPDLFHU-VXKWHMMOSA-N 0 0 459.340 4.573 20 0 JJADRN COc1cccc(Oc2ncccc2CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC001463152420 1068305414 /nfs/dbraw/zinc/30/54/14/1068305414.db2.gz DEICYGIQPJIUGY-UHFFFAOYSA-N 0 0 454.548 4.682 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3S(=O)(=O)C3CC3)c12 ZINC001463155625 1068305741 /nfs/dbraw/zinc/30/57/41/1068305741.db2.gz POWAPQUHHPRSQN-UHFFFAOYSA-N 0 0 454.596 4.807 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC001463157840 1068306248 /nfs/dbraw/zinc/30/62/48/1068306248.db2.gz YVOLDHCSZUEZMV-HXUWFJFHSA-N 0 0 454.636 4.792 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001463158866 1068306539 /nfs/dbraw/zinc/30/65/39/1068306539.db2.gz QHZLNJMMHKRSER-UHFFFAOYSA-N 0 0 458.805 4.842 20 0 JJADRN CC[C@@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)C(C)(C)c1ccccc1 ZINC001463158112 1068306641 /nfs/dbraw/zinc/30/66/41/1068306641.db2.gz ZUKPRSCNZRRPBO-HXUWFJFHSA-N 0 0 450.398 4.858 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCCC1 ZINC001546137031 1068307150 /nfs/dbraw/zinc/30/71/50/1068307150.db2.gz CDTLDVYKALYQJL-FQEVSTJZSA-N 0 0 454.619 4.756 20 0 JJADRN COc1c(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)cnn1-c1ccccc1 ZINC001463161965 1068307245 /nfs/dbraw/zinc/30/72/45/1068307245.db2.gz KJZLCUYAYKHKQM-UHFFFAOYSA-N 0 0 456.218 4.794 20 0 JJADRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc(OC(F)(F)F)ccc1Br ZINC001463162008 1068307376 /nfs/dbraw/zinc/30/73/76/1068307376.db2.gz LDDKEXZZBPECOV-UHFFFAOYSA-N 0 0 458.209 4.854 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001463165440 1068307826 /nfs/dbraw/zinc/30/78/26/1068307826.db2.gz LKEVZMXHIHLIKP-YWZLYKJASA-N 0 0 455.498 4.962 20 0 JJADRN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)c1 ZINC001463165090 1068307861 /nfs/dbraw/zinc/30/78/61/1068307861.db2.gz ACEHDRGMYOQOGG-QFIPXVFZSA-N 0 0 459.951 4.512 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(I)c(Cl)c2)c(OCC2CC2)c1 ZINC001463165756 1068307877 /nfs/dbraw/zinc/30/78/77/1068307877.db2.gz DVNUMLKAPQZUGJ-UHFFFAOYSA-N 0 0 457.695 4.994 20 0 JJADRN O=C1[C@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)CCCN1c1ccccc1Cl ZINC001463166051 1068308521 /nfs/dbraw/zinc/30/85/21/1068308521.db2.gz NRVLPVCDLTVEGV-OAHLLOKOSA-N 0 0 455.388 4.682 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001463171418 1068309240 /nfs/dbraw/zinc/30/92/40/1068309240.db2.gz MZQNDORHWYXMDO-UHFFFAOYSA-N 0 0 456.313 4.894 20 0 JJADRN CC(C)(C)OCCS(=O)(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC001463171570 1068309365 /nfs/dbraw/zinc/30/93/65/1068309365.db2.gz XLWVLJSPJAAIDL-OAQYLSRUSA-N 0 0 454.430 4.642 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)C[C@H](OC)C1CCCCC1)c1ccccc1Cl ZINC001463171698 1068309476 /nfs/dbraw/zinc/30/94/76/1068309476.db2.gz WUYXAVJHUICILE-XZOQPEGZSA-N 0 0 452.016 4.953 20 0 JJADRN CO[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 ZINC001463174791 1068309813 /nfs/dbraw/zinc/30/98/13/1068309813.db2.gz FMAOVARTPGWPFV-INIZCTEOSA-N 0 0 453.185 4.563 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccnn3Cc3ccc(Cl)s3)no2)c1 ZINC001463175996 1068310178 /nfs/dbraw/zinc/31/01/78/1068310178.db2.gz JHCWASPPDVGMNW-UHFFFAOYSA-N 0 0 456.911 4.668 20 0 JJADRN COc1cc(CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ccc1O ZINC001463176990 1068310313 /nfs/dbraw/zinc/31/03/13/1068310313.db2.gz XQLRCKQYHXIANE-UHFFFAOYSA-N 0 0 451.972 4.586 20 0 JJADRN CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001463179769 1068310803 /nfs/dbraw/zinc/31/08/03/1068310803.db2.gz WSXQAXNGHRCTHZ-LJQANCHMSA-N 0 0 452.414 4.724 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N3CCC(=O)Nc4cc(F)ccc43)cc2)cc1 ZINC001463180941 1068311514 /nfs/dbraw/zinc/31/15/14/1068311514.db2.gz YEVKBUSQXDLUMJ-UHFFFAOYSA-N 0 0 458.536 4.877 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC001463181596 1068311890 /nfs/dbraw/zinc/31/18/90/1068311890.db2.gz ZWSRESZFVLQTDA-NSHDSACASA-N 0 0 458.374 4.857 20 0 JJADRN COCCOCCOc1ccc(NC(=O)[C@H](C)c2ccc(F)cc2F)cc1Br ZINC001463185407 1068313586 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4.685 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC001463194312 1068316457 /nfs/dbraw/zinc/31/64/57/1068316457.db2.gz NBXRJBFJTRVLGQ-UONOGXRCSA-N 0 0 451.386 4.500 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC001463194307 1068316525 /nfs/dbraw/zinc/31/65/25/1068316525.db2.gz NBXRJBFJTRVLGQ-KGLIPLIRSA-N 0 0 451.386 4.500 20 0 JJADRN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)C12CCCCC2 ZINC001463195764 1068316663 /nfs/dbraw/zinc/31/66/63/1068316663.db2.gz JYHJJMFKWDFGKL-SFTDATJTSA-N 0 0 453.551 4.890 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(I)cc2)o1 ZINC001463196543 1068316950 /nfs/dbraw/zinc/31/69/50/1068316950.db2.gz KNCFBDZQHLLULM-DYVFJYSZSA-N 0 0 459.349 4.609 20 0 JJADRN CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c2cccc(Cl)c21 ZINC001463196379 1068317044 /nfs/dbraw/zinc/31/70/44/1068317044.db2.gz NNYHKPMZWRSYNC-CQSZACIVSA-N 0 0 456.391 4.895 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC001463198871 1068317670 /nfs/dbraw/zinc/31/76/70/1068317670.db2.gz AXKIECVDLPZWBO-AWEZNQCLSA-N 0 0 450.638 4.765 20 0 JJADRN COc1ccc(C)nc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001463198275 1068317694 /nfs/dbraw/zinc/31/76/94/1068317694.db2.gz CIGHEXSGIYOJAY-UHFFFAOYSA-N 0 0 459.424 4.687 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1N ZINC001463204503 1068319396 /nfs/dbraw/zinc/31/93/96/1068319396.db2.gz PZWQHYFZKQWJKF-FQEVSTJZSA-N 0 0 455.599 4.923 20 0 JJADRN Cc1ccc(Cl)cc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001463206559 1068320133 /nfs/dbraw/zinc/32/01/33/1068320133.db2.gz IHNGGZNNEXZNTI-UHFFFAOYSA-N 0 0 455.407 4.797 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccc(OCC(F)(F)F)cc2)cc1Br ZINC001463208325 1068320908 /nfs/dbraw/zinc/32/09/08/1068320908.db2.gz ITEXSKNHKDIHCM-UHFFFAOYSA-N 0 0 455.248 4.557 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001463211251 1068321497 /nfs/dbraw/zinc/32/14/97/1068321497.db2.gz AJAWBQRJXGNOTC-UQASEVPWSA-N 0 0 457.514 4.795 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NS(=O)(=O)c3csc4ccc(Cl)cc43)ccc2NC1=O ZINC001463213414 1068322336 /nfs/dbraw/zinc/32/23/36/1068322336.db2.gz MMXSRIXSTBFJHQ-MEDUHNTESA-N 0 0 450.969 4.704 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1)[C@@H](O)c1ccccc1F ZINC001463215416 1068323116 /nfs/dbraw/zinc/32/31/16/1068323116.db2.gz WITMVKJRBNDGQD-ZEQRLZLVSA-N 0 0 457.567 4.812 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc1I ZINC001463217791 1068323445 /nfs/dbraw/zinc/32/34/45/1068323445.db2.gz WDZWPASRIJPBRR-XIKOKIGWSA-N 0 0 459.324 4.511 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc1I ZINC001463217790 1068323555 /nfs/dbraw/zinc/32/35/55/1068323555.db2.gz WDZWPASRIJPBRR-SGTLLEGYSA-N 0 0 459.324 4.511 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1I ZINC001463217785 1068323574 /nfs/dbraw/zinc/32/35/74/1068323574.db2.gz WDZWPASRIJPBRR-KPZWWZAWSA-N 0 0 459.324 4.511 20 0 JJADRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1I ZINC001463219228 1068324019 /nfs/dbraw/zinc/32/40/19/1068324019.db2.gz FJAHGUOOTVEORN-MRXNPFEDSA-N 0 0 456.121 4.861 20 0 JJADRN CN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c2ccc(F)cc21 ZINC001463220924 1068324685 /nfs/dbraw/zinc/32/46/85/1068324685.db2.gz NOGBQKWOBUXXQA-UHFFFAOYSA-N 0 0 454.148 4.540 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001463220624 1068324721 /nfs/dbraw/zinc/32/47/21/1068324721.db2.gz DUKUJCVFHMUZRJ-FYYLOGMGSA-N 0 0 454.636 4.639 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC001463224027 1068325712 /nfs/dbraw/zinc/32/57/12/1068325712.db2.gz ZKGXHBJMJBAZQY-KLHJMIIUSA-N 0 0 457.514 4.843 20 0 JJADRN CCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC001463228519 1068327563 /nfs/dbraw/zinc/32/75/63/1068327563.db2.gz VREXBEIXJLDSHT-HXUWFJFHSA-N 0 0 452.558 4.851 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N1CCc2ccsc2C1 ZINC001463227283 1068327771 /nfs/dbraw/zinc/32/77/71/1068327771.db2.gz AQXDJSYMQJZDLJ-UHFFFAOYSA-N 0 0 455.377 4.890 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-n3cnc4ccccc43)cc2)cc1Cl ZINC001463228985 1068328070 /nfs/dbraw/zinc/32/80/70/1068328070.db2.gz GEBFJSJZSGDSAH-UHFFFAOYSA-N 0 0 457.895 4.625 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c2ccccc21 ZINC001463232817 1068329232 /nfs/dbraw/zinc/32/92/32/1068329232.db2.gz QJLCRDJSUUGWSM-HNNXBMFYSA-N 0 0 459.568 4.886 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1cc(Cl)cc(COC)c1)Oc1ccccc1C(F)(F)F ZINC001463233254 1068329869 /nfs/dbraw/zinc/32/98/69/1068329869.db2.gz BHJVALBRPFQZFS-OAHLLOKOSA-N 0 0 451.894 4.641 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001463234413 1068329978 /nfs/dbraw/zinc/32/99/78/1068329978.db2.gz ZPHSFQWLQLZZQD-UHFFFAOYSA-N 0 0 456.951 4.784 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC001463234761 1068330536 /nfs/dbraw/zinc/33/05/36/1068330536.db2.gz URIGJCDBFBDOAL-NTCAYCPXSA-N 0 0 455.020 4.752 20 0 JJADRN CCOC(=O)C[C@@H]1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)c2ccccc21 ZINC001463237170 1068330788 /nfs/dbraw/zinc/33/07/88/1068330788.db2.gz XKUUAJTYZZFGJF-HNNXBMFYSA-N 0 0 455.352 4.947 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001463239173 1068331898 /nfs/dbraw/zinc/33/18/98/1068331898.db2.gz QAONBCOWNHBTOY-OAQYLSRUSA-N 0 0 452.389 4.788 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001463241177 1068332348 /nfs/dbraw/zinc/33/23/48/1068332348.db2.gz OTRLBPIDTBAUTI-UHFFFAOYSA-N 0 0 452.395 4.562 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccccc1Br)Oc1ccccc1C(F)(F)F ZINC001463243676 1068332689 /nfs/dbraw/zinc/33/26/89/1068332689.db2.gz ZLRSAPIIZSGOFE-GFCCVEGCSA-N 0 0 452.292 4.604 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)Nc1ccnn1C1CCC1 ZINC001463244607 1068333034 /nfs/dbraw/zinc/33/30/34/1068333034.db2.gz NIDULOIDQRWQSN-UHFFFAOYSA-N 0 0 453.340 4.804 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)cc1 ZINC001463250163 1068334265 /nfs/dbraw/zinc/33/42/65/1068334265.db2.gz YMKKUMJFQXOSRA-UHFFFAOYSA-N 0 0 455.946 4.933 20 0 JJADRN CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC001463248405 1068334539 /nfs/dbraw/zinc/33/45/39/1068334539.db2.gz KMYHRZIPRUCUEH-HSZRJFAPSA-N 0 0 455.530 4.960 20 0 JJADRN Cc1c(C(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001463250628 1068334861 /nfs/dbraw/zinc/33/48/61/1068334861.db2.gz LSOIIPRBCBHXTA-UHFFFAOYSA-N 0 0 451.489 4.974 20 0 JJADRN Cc1ccccc1COC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001463252434 1068335476 /nfs/dbraw/zinc/33/54/76/1068335476.db2.gz OFNRCYUFCNZZOF-UHFFFAOYSA-N 0 0 451.304 4.780 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)cc21 ZINC001463253685 1068335874 /nfs/dbraw/zinc/33/58/74/1068335874.db2.gz SOLQEBRQDWUOLF-NEPJUHHUSA-N 0 0 453.324 4.588 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC001463253693 1068335911 /nfs/dbraw/zinc/33/59/11/1068335911.db2.gz SOLQEBRQDWUOLF-VXGBXAGGSA-N 0 0 453.324 4.588 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@](C)(CCc3ccccc3)C2)c1 ZINC001463253007 1068335949 /nfs/dbraw/zinc/33/59/49/1068335949.db2.gz DEJXWUYKJPHCBH-NRFANRHFSA-N 0 0 455.498 4.526 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCOC[C@@]1(C)C1CC1 ZINC001463253507 1068336002 /nfs/dbraw/zinc/33/60/02/1068336002.db2.gz KHHOIPFPYZXTSO-NRFANRHFSA-N 0 0 455.546 4.975 20 0 JJADRN CCO[C@]12CCC[C@@]1(NC(=O)Cc1c(C)nn(-c3ccc(Cl)cc3Cl)c1C)CCO2 ZINC001463254169 1068336431 /nfs/dbraw/zinc/33/64/31/1068336431.db2.gz XSXIWZUXSVBHHD-YADHBBJMSA-N 0 0 452.382 4.530 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCc3cc(Cl)ccc32)c2ccccc2)cc1 ZINC001463256297 1068336505 /nfs/dbraw/zinc/33/65/05/1068336505.db2.gz YATOPSHZNQYSLE-UHFFFAOYSA-N 0 0 454.979 4.823 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)(C)C ZINC001463257208 1068336723 /nfs/dbraw/zinc/33/67/23/1068336723.db2.gz FSTDCTCZXMHBMO-FYYLOGMGSA-N 0 0 458.624 4.660 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC001463258913 1068336884 /nfs/dbraw/zinc/33/68/84/1068336884.db2.gz BRZJMBNYSZUBOM-IBGZPJMESA-N 0 0 456.402 4.922 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001463258931 1068337038 /nfs/dbraw/zinc/33/70/38/1068337038.db2.gz JXFFZFYDAHFLNN-VWNXMTODSA-N 0 0 475.589 4.847 20 0 JJADRN CC[C@@H](C(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCOC2)c1cccc(C(F)(F)F)c1 ZINC001463259409 1068337448 /nfs/dbraw/zinc/33/74/48/1068337448.db2.gz QWEPCUZVVPLGPH-OAHLLOKOSA-N 0 0 453.461 4.520 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC001463262964 1068338138 /nfs/dbraw/zinc/33/81/38/1068338138.db2.gz PLLUYRINKFSALT-LJQANCHMSA-N 0 0 453.004 4.506 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC001463262963 1068338269 /nfs/dbraw/zinc/33/82/69/1068338269.db2.gz PLLUYRINKFSALT-IBGZPJMESA-N 0 0 453.004 4.506 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)c(F)cc1Cl ZINC001463264675 1068339482 /nfs/dbraw/zinc/33/94/82/1068339482.db2.gz YPSFOPDVDANXGV-RDJZCZTQSA-N 0 0 453.963 4.860 20 0 JJADRN Cc1ccc(I)c(OS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC001463267012 1068339557 /nfs/dbraw/zinc/33/95/57/1068339557.db2.gz YXBFFCDYIOEZDK-UHFFFAOYSA-N 0 0 458.317 4.596 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3F)cs2)cc1 ZINC001463271048 1068340371 /nfs/dbraw/zinc/34/03/71/1068340371.db2.gz DAISJHLTEMUURC-HXUWFJFHSA-N 0 0 454.502 4.740 20 0 JJADRN O=C(NCc1ccc2nonc2c1)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001463271259 1068340425 /nfs/dbraw/zinc/34/04/25/1068340425.db2.gz AUVVNTRZRVDOGV-HXUWFJFHSA-N 0 0 456.271 4.561 20 0 JJADRN CCC1(CC)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccc(Br)cc21 ZINC001463272893 1068341066 /nfs/dbraw/zinc/34/10/66/1068341066.db2.gz QFZDGYCAIOAGJT-UHFFFAOYSA-N 0 0 454.386 4.733 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC001463274683 1068341144 /nfs/dbraw/zinc/34/11/44/1068341144.db2.gz HTJVABXXVZHECY-MRXNPFEDSA-N 0 0 453.004 4.588 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1ccc(C)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463278837 1068342495 /nfs/dbraw/zinc/34/24/95/1068342495.db2.gz HGAMUPQEQBDYQK-KRWDZBQOSA-N 0 0 458.274 4.739 20 0 JJADRN Cc1cc(C(=O)Nc2nc3c(cccc3OCC(F)(F)F)s2)ccc1N1CCOCC1 ZINC001463279309 1068342557 /nfs/dbraw/zinc/34/25/57/1068342557.db2.gz RCQCJNCYIXJHCE-UHFFFAOYSA-N 0 0 451.470 4.635 20 0 JJADRN O=C(Nc1nc2c(cc(F)cc2Br)s1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001463279481 1068342576 /nfs/dbraw/zinc/34/25/76/1068342576.db2.gz OIVZLUSUHDRLIS-CYBMUJFWSA-N 0 0 456.243 4.608 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)c1ccc(C(F)(F)F)cc1 ZINC001463278856 1068342758 /nfs/dbraw/zinc/34/27/58/1068342758.db2.gz HGSRGMREDOOJNC-OAHLLOKOSA-N 0 0 453.486 4.811 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1 ZINC001463281102 1068342998 /nfs/dbraw/zinc/34/29/98/1068342998.db2.gz KXIORRHBWMZBNN-HNNXBMFYSA-N 0 0 454.495 4.854 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]1c1ccccc1Br ZINC001463282578 1068343668 /nfs/dbraw/zinc/34/36/68/1068343668.db2.gz BXBJUUNRUJXNST-QGZVFWFLSA-N 0 0 459.203 4.879 20 0 JJADRN CO[C@@H](CS(=O)(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CCCC1 ZINC001463283215 1068344263 /nfs/dbraw/zinc/34/42/63/1068344263.db2.gz ZCYJMDPRHAODOF-FQEVSTJZSA-N 0 0 450.428 4.509 20 0 JJADRN Cc1cc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)sc1Br ZINC001463287792 1068345419 /nfs/dbraw/zinc/34/54/19/1068345419.db2.gz MPJBBRYZHBCNSK-UHFFFAOYSA-N 0 0 451.820 4.603 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@H](C)c2csc3ccccc32)C1 ZINC001463287124 1068345454 /nfs/dbraw/zinc/34/54/54/1068345454.db2.gz LXHFBHASOIIQEK-MIAKESKMSA-N 0 0 452.576 4.895 20 0 JJADRN CC(C)CC1(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCCC1 ZINC001463292964 1068346901 /nfs/dbraw/zinc/34/69/01/1068346901.db2.gz LROANAXUAGWOEV-UHFFFAOYSA-N 0 0 450.645 4.561 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Br)o1)[C@@H](C1CCCCC1)C2 ZINC001463292645 1068346919 /nfs/dbraw/zinc/34/69/19/1068346919.db2.gz ATWNDUIBIQXVBS-GOSISDBHSA-N 0 0 454.386 4.747 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1C(F)(F)F ZINC001463293262 1068347072 /nfs/dbraw/zinc/34/70/72/1068347072.db2.gz MUCLEXDWWHLWCO-KKSFZXQISA-N 0 0 453.482 4.582 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@H](C1CCCCC1)C2 ZINC001463293703 1068347373 /nfs/dbraw/zinc/34/73/73/1068347373.db2.gz DHUFCYISRXEHQX-FQEVSTJZSA-N 0 0 454.514 4.805 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H](C1CCCCC1)C2 ZINC001463293704 1068347615 /nfs/dbraw/zinc/34/76/15/1068347615.db2.gz DHUFCYISRXEHQX-HXUWFJFHSA-N 0 0 454.514 4.805 20 0 JJADRN Cc1sc(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nc1-c1ccccc1 ZINC001463299932 1068349597 /nfs/dbraw/zinc/34/95/97/1068349597.db2.gz MPYKUUMVXIOOKX-UHFFFAOYSA-N 0 0 456.511 4.581 20 0 JJADRN Cc1sc(CCNS(=O)(=O)c2ccc(Br)c(C)c2)nc1-c1ccccc1 ZINC001463301282 1068349820 /nfs/dbraw/zinc/34/98/20/1068349820.db2.gz VIBUUNJBOITGJI-UHFFFAOYSA-N 0 0 451.411 4.710 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccccc1SC(F)(F)F ZINC001463303192 1068349854 /nfs/dbraw/zinc/34/98/54/1068349854.db2.gz CBSTXBRKERPLGF-BEFAXECRSA-N 0 0 450.526 4.914 20 0 JJADRN COc1ccc(Br)cc1CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC001463303744 1068350112 /nfs/dbraw/zinc/35/01/12/1068350112.db2.gz SIAGQKOSSYRZTD-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001463305037 1068350608 /nfs/dbraw/zinc/35/06/08/1068350608.db2.gz CYLPOZHIMXRLBE-CYBMUJFWSA-N 0 0 458.930 4.721 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463306915 1068351039 /nfs/dbraw/zinc/35/10/39/1068351039.db2.gz HMSKRCPGYLZKGS-UHFFFAOYSA-N 0 0 455.576 4.771 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1Br)[C@H](c1ccccc1)C2 ZINC001463310074 1068351576 /nfs/dbraw/zinc/35/15/76/1068351576.db2.gz SQJMITWQLXRPIJ-NRFANRHFSA-N 0 0 458.377 4.946 20 0 JJADRN Cc1c(C(=O)NCc2ccccc2SC(F)(F)F)nnn1-c1ccc(OC(C)C)cc1 ZINC001463310129 1068351636 /nfs/dbraw/zinc/35/16/36/1068351636.db2.gz ZXNJNNDRHAKWJE-UHFFFAOYSA-N 0 0 450.486 4.905 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC001463310073 1068351706 /nfs/dbraw/zinc/35/17/06/1068351706.db2.gz SPQSXSWWFCGZCI-XOBRGWDASA-N 0 0 458.407 4.960 20 0 JJADRN O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)cc2N1 ZINC001463310864 1068351954 /nfs/dbraw/zinc/35/19/54/1068351954.db2.gz RSNZWQKEQKNBBX-LJQANCHMSA-N 0 0 454.926 4.809 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001463311390 1068352253 /nfs/dbraw/zinc/35/22/53/1068352253.db2.gz VDDRQKVLVMGVRI-UHFFFAOYSA-N 0 0 455.986 4.862 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)nc21 ZINC001463313757 1068352603 /nfs/dbraw/zinc/35/26/03/1068352603.db2.gz LHWQZCNZSJCVIZ-UHFFFAOYSA-N 0 0 451.914 4.507 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NC(=O)Cc3csc4ccc(Br)cc34)nc21 ZINC001463313786 1068352845 /nfs/dbraw/zinc/35/28/45/1068352845.db2.gz MOQZAGQSIRQTCN-UHFFFAOYSA-N 0 0 458.337 4.898 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001463315451 1068353102 /nfs/dbraw/zinc/35/31/02/1068353102.db2.gz DMOVZDSRULNJHA-CYBMUJFWSA-N 0 0 455.908 4.941 20 0 JJADRN CCCCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC001463315783 1068353125 /nfs/dbraw/zinc/35/31/25/1068353125.db2.gz HFZZDTZZKNMDFI-LBPRGKRZSA-N 0 0 452.798 4.623 20 0 JJADRN O=C(Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1)c1cnn(Cc2ccccc2)c1Cl ZINC001463315890 1068353658 /nfs/dbraw/zinc/35/36/58/1068353658.db2.gz BMFPFQVKVJEKOH-UHFFFAOYSA-N 0 0 453.329 4.701 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)o1 ZINC001463317524 1068353738 /nfs/dbraw/zinc/35/37/38/1068353738.db2.gz HJNOXDCJNIKXHQ-QGZVFWFLSA-N 0 0 457.548 4.902 20 0 JJADRN Cc1c(Br)cc(C(=O)N2c3ccccc3CC[C@H]2Cc2ccccc2)c(=O)n1C ZINC001463320610 1068355114 /nfs/dbraw/zinc/35/51/14/1068355114.db2.gz FQJVQSBPAFKDPX-IBGZPJMESA-N 0 0 451.364 4.661 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463327421 1068357535 /nfs/dbraw/zinc/35/75/35/1068357535.db2.gz ZGHDCIHAOPDFAJ-LJQANCHMSA-N 0 0 451.773 4.707 20 0 JJADRN O=S(=O)(c1cnc2c(Br)csc2c1)N(Cc1ccccc1F)C1CCC1 ZINC001463329407 1068358019 /nfs/dbraw/zinc/35/80/19/1068358019.db2.gz ZNTILMCULRRUGQ-UHFFFAOYSA-N 0 0 455.374 4.941 20 0 JJADRN CC(C)n1nc(C(=O)Nc2ccc(Br)cc2OC(F)F)c2ccccc2c1=O ZINC001463328846 1068358076 /nfs/dbraw/zinc/35/80/76/1068358076.db2.gz ZSRFZUNZKWEUPM-UHFFFAOYSA-N 0 0 452.255 4.594 20 0 JJADRN Cc1nc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c(-c2ccccc2)s1 ZINC001463329120 1068358279 /nfs/dbraw/zinc/35/82/79/1068358279.db2.gz XAWCZBZAZWIOOA-UHFFFAOYSA-N 0 0 452.605 4.906 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)c3cnn(-c4ccccc4C)c3C(F)F)oc2c1 ZINC001463333466 1068359319 /nfs/dbraw/zinc/35/93/19/1068359319.db2.gz FUSBTABWDPWGKL-UHFFFAOYSA-N 0 0 453.445 4.624 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)nc1C ZINC001463336085 1068360380 /nfs/dbraw/zinc/36/03/80/1068360380.db2.gz GWARVBOZWQQENU-SFHVURJKSA-N 0 0 459.587 4.631 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@H]([C@@H]3CCOC3)C2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463335603 1068360655 /nfs/dbraw/zinc/36/06/55/1068360655.db2.gz NVKRFEIOCJDHEN-JVSAHFFESA-N 0 0 477.045 4.956 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)cc1 ZINC001463337845 1068361043 /nfs/dbraw/zinc/36/10/43/1068361043.db2.gz QQSMTLVGTPJOOF-VIFPVBQESA-N 0 0 451.321 4.542 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H](C)CN1Cc1ccccc1 ZINC001463343011 1068363693 /nfs/dbraw/zinc/36/36/93/1068363693.db2.gz PAFZRAKJQNLEDP-MSOLQXFVSA-N 0 0 457.665 4.877 20 0 JJADRN O=S(=O)(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC001463343571 1068363957 /nfs/dbraw/zinc/36/39/57/1068363957.db2.gz BXHUELKLQLFBAV-LPHOPBHVSA-N 0 0 453.461 4.645 20 0 JJADRN COc1cc(Br)cc2sc(NC(=O)c3ccc(OC)c(OC(F)F)c3)nc21 ZINC001463344978 1068364360 /nfs/dbraw/zinc/36/43/60/1068364360.db2.gz FIOKHOKCCLRULS-UHFFFAOYSA-N 0 0 459.268 4.930 20 0 JJADRN COc1ccc(CN(c2ccncc2)S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1 ZINC001463345214 1068365201 /nfs/dbraw/zinc/36/52/01/1068365201.db2.gz ASFKLSCREIPOJR-UHFFFAOYSA-N 0 0 457.914 4.826 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC001463346403 1068365776 /nfs/dbraw/zinc/36/57/76/1068365776.db2.gz JVJJEPYXODZIEB-KUHUBIRLSA-N 0 0 458.805 4.690 20 0 JJADRN COC(=O)c1cc(NC(=O)COc2ccc(Br)cc2Cl)cc(F)c1Cl ZINC001463347743 1068366129 /nfs/dbraw/zinc/36/61/29/1068366129.db2.gz RVZVHOMRASVJHK-UHFFFAOYSA-N 0 0 451.075 4.699 20 0 JJADRN COc1cc(CCC(=O)Nc2nc3c(cc(Br)cc3OC)s2)cc(OC)c1 ZINC001463349772 1068366913 /nfs/dbraw/zinc/36/69/13/1068366913.db2.gz TUQACRVILNDXRA-UHFFFAOYSA-N 0 0 451.342 4.656 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)c3c(OC)ccc4nc(Cl)ccc43)CC2)cc1 ZINC001463352004 1068367407 /nfs/dbraw/zinc/36/74/07/1068367407.db2.gz ZLKCDEZXISQRQI-UHFFFAOYSA-N 0 0 458.967 4.774 20 0 JJADRN C[C@H](Cc1cccnc1)NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001463350650 1068367415 /nfs/dbraw/zinc/36/74/15/1068367415.db2.gz BIPHCMQTQVMHOY-SNVBAGLBSA-N 0 0 453.205 4.582 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2nc3c(cc(Br)cc3OC)s2)c(C)c1 ZINC001463351051 1068367548 /nfs/dbraw/zinc/36/75/48/1068367548.db2.gz ZXNOCCVMOVBUHD-UHFFFAOYSA-N 0 0 450.314 4.806 20 0 JJADRN CCC1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCOCC1 ZINC001463352209 1068367661 /nfs/dbraw/zinc/36/76/61/1068367661.db2.gz ODGOKHIOLQMXRM-UHFFFAOYSA-N 0 0 458.349 4.618 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001463353799 1068368008 /nfs/dbraw/zinc/36/80/08/1068368008.db2.gz BIMKLKVLXKQKFV-OAQYLSRUSA-N 0 0 451.007 4.911 20 0 JJADRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001463354083 1068368038 /nfs/dbraw/zinc/36/80/38/1068368038.db2.gz GMILCNVSGPLLHO-ZDUSSCGKSA-N 0 0 458.393 4.804 20 0 JJADRN COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)s1 ZINC001463355789 1068368895 /nfs/dbraw/zinc/36/88/95/1068368895.db2.gz GGANEXCMQJZUKN-IBGZPJMESA-N 0 0 457.017 4.510 20 0 JJADRN COc1cccc2[nH]cc(CC(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)CC3)c21 ZINC001463355388 1068369147 /nfs/dbraw/zinc/36/91/47/1068369147.db2.gz HCAJKFIDICVBAA-QHCPKHFHSA-N 0 0 455.599 4.603 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N1CCC[C@H](c3nc(C(F)(F)F)cs3)C1)=C2 ZINC001463357863 1068370132 /nfs/dbraw/zinc/37/01/32/1068370132.db2.gz JMKIOGHHOMQGAW-HNNXBMFYSA-N 0 0 458.527 4.667 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)C[C@H](OC)C2CCCCC2)cc1OC ZINC001463359342 1068370792 /nfs/dbraw/zinc/37/07/92/1068370792.db2.gz TZZFDJJZMPGFJJ-DEOSSOPVSA-N 0 0 453.645 4.764 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1cnn(-c3ccccc3F)c1)CC2 ZINC001463361238 1068371289 /nfs/dbraw/zinc/37/12/89/1068371289.db2.gz UBHNJTOFKUQMAV-OAQYLSRUSA-N 0 0 456.562 4.509 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c1 ZINC001463364274 1068372390 /nfs/dbraw/zinc/37/23/90/1068372390.db2.gz ZOJNLCAKVHVDPW-NIYFSFCBSA-N 0 0 451.588 4.609 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1 ZINC001463372201 1068375368 /nfs/dbraw/zinc/37/53/68/1068375368.db2.gz FSJGLPUBBLWDHS-FQEVSTJZSA-N 0 0 459.395 4.703 20 0 JJADRN CC(=O)c1cc(Br)c(F)cc1OS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001463372626 1068375643 /nfs/dbraw/zinc/37/56/43/1068375643.db2.gz HTVNEZFBDQOCSL-UHFFFAOYSA-N 0 0 459.186 4.716 20 0 JJADRN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 ZINC001463372893 1068375734 /nfs/dbraw/zinc/37/57/34/1068375734.db2.gz CBUHTYULWKTAGY-FQEVSTJZSA-N 0 0 456.530 4.863 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001463374062 1068376075 /nfs/dbraw/zinc/37/60/75/1068376075.db2.gz MTBYTXMZUIPERW-QRWLVFNGSA-N 0 0 456.439 4.618 20 0 JJADRN COc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c(OC(F)F)c1 ZINC001463376263 1068377294 /nfs/dbraw/zinc/37/72/94/1068377294.db2.gz FFQMGYPDTGFLRH-UHFFFAOYSA-N 0 0 456.820 4.886 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)c2c1 ZINC001463380880 1068378713 /nfs/dbraw/zinc/37/87/13/1068378713.db2.gz OZRXWNRKPRUDFU-UHFFFAOYSA-N 0 0 459.852 4.977 20 0 JJADRN CC[C@@]1(C)COCCN1S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001463386046 1068380122 /nfs/dbraw/zinc/38/01/22/1068380122.db2.gz CJEDQXYNVHSHAT-IBGZPJMESA-N 0 0 458.349 4.570 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC001463389597 1068382089 /nfs/dbraw/zinc/38/20/89/1068382089.db2.gz KZNXRZROLFMSAX-SNVBAGLBSA-N 0 0 451.155 4.732 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC001463392530 1068382358 /nfs/dbraw/zinc/38/23/58/1068382358.db2.gz MIDHBBUDKWEZDJ-UHFFFAOYSA-N 0 0 459.589 4.715 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)C[C@@H](CC(C)C)OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396024 1068383388 /nfs/dbraw/zinc/38/33/88/1068383388.db2.gz PFUODVXFWUTFAC-RTWAWAEBSA-N 0 0 459.530 4.784 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)C[C@@H](CC(C)C)OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396018 1068383592 /nfs/dbraw/zinc/38/35/92/1068383592.db2.gz PFUODVXFWUTFAC-NHCUHLMSSA-N 0 0 459.530 4.784 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C2)cc1 ZINC001463399504 1068384234 /nfs/dbraw/zinc/38/42/34/1068384234.db2.gz ZMUYPQBPRDRQLV-GOSISDBHSA-N 0 0 457.821 4.700 20 0 JJADRN CC[C@H](C)Oc1cc(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)ccn1 ZINC001463400406 1068384919 /nfs/dbraw/zinc/38/49/19/1068384919.db2.gz DIYGYJCTETVVLN-HNNXBMFYSA-N 0 0 450.507 4.535 20 0 JJADRN CC[C@@H](C)Oc1cc(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)ccn1 ZINC001463400408 1068384959 /nfs/dbraw/zinc/38/49/59/1068384959.db2.gz DIYGYJCTETVVLN-OAHLLOKOSA-N 0 0 450.507 4.535 20 0 JJADRN CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OC)oc2C)cc1 ZINC001463401111 1068385061 /nfs/dbraw/zinc/38/50/61/1068385061.db2.gz WRAZSCIBQIQBSA-UHFFFAOYSA-N 0 0 457.548 4.555 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC001463401780 1068385564 /nfs/dbraw/zinc/38/55/64/1068385564.db2.gz ZWTQOIIPNOAHQG-SNVBAGLBSA-N 0 0 451.155 4.732 20 0 JJADRN Cc1cc(Br)cc2c1CN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2 ZINC001463407718 1068386395 /nfs/dbraw/zinc/38/63/95/1068386395.db2.gz BVOBPDVDHBJCTJ-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1Br ZINC001463407788 1068386580 /nfs/dbraw/zinc/38/65/80/1068386580.db2.gz ZCCUJCZWZRIUHB-ZDUSSCGKSA-N 0 0 450.807 4.973 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)sc1Br ZINC001463405994 1068386595 /nfs/dbraw/zinc/38/65/95/1068386595.db2.gz UAJYCTXINQTWQX-CYBMUJFWSA-N 0 0 454.415 4.572 20 0 JJADRN CCC[C@@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CCN1Cc1ccccc1 ZINC001463409130 1068387066 /nfs/dbraw/zinc/38/70/66/1068387066.db2.gz GRHQTZHMJBVTME-JOCHJYFZSA-N 0 0 455.649 4.794 20 0 JJADRN Cc1cc(S(=O)(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)c(C)cc1Br ZINC001463409311 1068387725 /nfs/dbraw/zinc/38/77/25/1068387725.db2.gz NWNSCFYNRQTWTO-IBGZPJMESA-N 0 0 458.393 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC001463410591 1068388040 /nfs/dbraw/zinc/38/80/40/1068388040.db2.gz KEBDCSMGBNGQGK-OAQYLSRUSA-N 0 0 455.368 4.984 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2c(F)cc(F)cc2F)cc1OC ZINC001463410952 1068388754 /nfs/dbraw/zinc/38/87/54/1068388754.db2.gz KHVJHQLFEIVEDZ-IFXJQAMLSA-N 0 0 457.514 4.891 20 0 JJADRN COC(=O)c1cc(Br)cc(OS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC001463412340 1068389151 /nfs/dbraw/zinc/38/91/51/1068389151.db2.gz NIFNOXRMRHJIBT-UHFFFAOYSA-N 0 0 455.713 4.810 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2cc(C)cnc2Cl)cc1OC ZINC001463413624 1068389868 /nfs/dbraw/zinc/38/98/68/1068389868.db2.gz RQLWYURCNLERJQ-AEFFLSMTSA-N 0 0 453.004 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)C(C)(C)COCc2ccccc2)n1 ZINC001463413001 1068389906 /nfs/dbraw/zinc/38/99/06/1068389906.db2.gz IGLKOEXDOKSWNT-LJQANCHMSA-N 0 0 454.571 4.730 20 0 JJADRN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC ZINC001463414909 1068390208 /nfs/dbraw/zinc/39/02/08/1068390208.db2.gz WVZKIOXNZXONDG-LPHOPBHVSA-N 0 0 451.560 4.621 20 0 JJADRN NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1ccc(Cl)cc1 ZINC001463414035 1068390224 /nfs/dbraw/zinc/39/02/24/1068390224.db2.gz VRXWYFQEKQFMCQ-KRWDZBQOSA-N 0 0 454.857 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nccc(NC(=O)CCCOCCc2ccccc2)n1 ZINC001463416255 1068390680 /nfs/dbraw/zinc/39/06/80/1068390680.db2.gz MZHNBQWWKWPEQU-HXUWFJFHSA-N 0 0 454.571 4.527 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@]34CCCN(C(=O)OC(C)(C)C)C4)cc2)nn1 ZINC001463415462 1068390769 /nfs/dbraw/zinc/39/07/69/1068390769.db2.gz UMWSQMXFCUFKNA-AREMUKBSSA-N 0 0 450.583 4.848 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1OCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001463420481 1068392197 /nfs/dbraw/zinc/39/21/97/1068392197.db2.gz BJNLMSNSXUNTDP-RTBURBONSA-N 0 0 450.457 4.659 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546138935 1068392529 /nfs/dbraw/zinc/39/25/29/1068392529.db2.gz SEEMHYMYXLGBEH-GHTZIAJQSA-N 0 0 468.646 4.968 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CCCC1 ZINC001546138937 1068392688 /nfs/dbraw/zinc/39/26/88/1068392688.db2.gz SEEMHYMYXLGBEH-RXVVDRJESA-N 0 0 468.646 4.968 20 0 JJADRN O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC001463428394 1068393794 /nfs/dbraw/zinc/39/37/94/1068393794.db2.gz KDEFORPAYZBMFF-GJZGRUSLSA-N 0 0 451.304 4.817 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)c3ccccc3Nc3cccc(C)c3C)c2=O)n1 ZINC001463429585 1068394154 /nfs/dbraw/zinc/39/41/54/1068394154.db2.gz LLFFZUZBASNFMN-UHFFFAOYSA-N 0 0 454.530 4.913 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCc3cc(C)c(Br)cc32)ccc1Br ZINC001463432346 1068395523 /nfs/dbraw/zinc/39/55/23/1068395523.db2.gz GSJZRDLSOQDEHL-UHFFFAOYSA-N 0 0 459.203 4.970 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC001463433744 1068395991 /nfs/dbraw/zinc/39/59/91/1068395991.db2.gz KRUUCYPHVCOCQG-VQTJNVASSA-N 0 0 455.498 4.757 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2c(Cl)cccc2Br)CC[C@H](C)c2ccccc21 ZINC001463435984 1068396726 /nfs/dbraw/zinc/39/67/26/1068396726.db2.gz DRVYBTVBDHBCML-YEJXKQKISA-N 0 0 450.760 4.727 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCc2ccnc(N(C)C)c2C1 ZINC001463438394 1068397828 /nfs/dbraw/zinc/39/78/28/1068397828.db2.gz XTYKNNKSJNQMOT-UHFFFAOYSA-N 0 0 454.983 4.622 20 0 JJADRN CCC1(Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCC(F)(F)F)CCOCC1 ZINC001546139034 1068398219 /nfs/dbraw/zinc/39/82/19/1068398219.db2.gz XJAUTFQKZMNVSA-UHFFFAOYSA-N 0 0 462.520 4.726 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(Br)cc2C(F)(F)F)s1 ZINC001463443093 1068398795 /nfs/dbraw/zinc/39/87/95/1068398795.db2.gz PBHONCAYDVLKFY-UHFFFAOYSA-N 0 0 458.321 4.504 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4cncn4C(C)(C)C)C3)cs2)cc1OC ZINC001463448615 1068400410 /nfs/dbraw/zinc/40/04/10/1068400410.db2.gz GFGXNMBKWMNGBA-QGZVFWFLSA-N 0 0 454.596 4.799 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)o1 ZINC001463452343 1068402137 /nfs/dbraw/zinc/40/21/37/1068402137.db2.gz MKOPOSGVBFJETJ-INIZCTEOSA-N 0 0 457.861 4.539 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001463452197 1068402146 /nfs/dbraw/zinc/40/21/46/1068402146.db2.gz PGCFAWILCDSYRP-LJQANCHMSA-N 0 0 459.587 4.802 20 0 JJADRN CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC001463452648 1068402162 /nfs/dbraw/zinc/40/21/62/1068402162.db2.gz RLMCFDJGBFCFNH-QGZVFWFLSA-N 0 0 456.388 4.606 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)Cc1ccc(OC(F)F)cc1)CC2 ZINC001463453511 1068402847 /nfs/dbraw/zinc/40/28/47/1068402847.db2.gz TUMIHTQQFWPUTQ-SFHVURJKSA-N 0 0 452.542 4.764 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Br)c(Cl)c2F)c1 ZINC001463454727 1068404383 /nfs/dbraw/zinc/40/43/83/1068404383.db2.gz QNVSSXKEPSLRPI-UHFFFAOYSA-N 0 0 452.704 4.815 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCO[C@@H](C(C)(C)C)CC3)ccc21 ZINC001463454399 1068404457 /nfs/dbraw/zinc/40/44/57/1068404457.db2.gz NZNQZVZKMZFABR-JOCHJYFZSA-N 0 0 457.615 4.833 20 0 JJADRN COC(=O)[C@@]1(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC[C@H](C)c2ccccc21 ZINC001463458059 1068405902 /nfs/dbraw/zinc/40/59/02/1068405902.db2.gz ZNIDZPLYHIJBEK-IVCQMTBJSA-N 0 0 452.938 4.835 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)cc1Cl ZINC001463458851 1068406694 /nfs/dbraw/zinc/40/66/94/1068406694.db2.gz SRPUMTWSPVWHNA-INIZCTEOSA-N 0 0 458.967 4.917 20 0 JJADRN Cn1cc(S(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c(C(F)(F)F)n1 ZINC001463459878 1068406812 /nfs/dbraw/zinc/40/68/12/1068406812.db2.gz DWKPIQRDSJGTMW-UHFFFAOYSA-N 0 0 456.317 4.536 20 0 JJADRN O=S(=O)(NCc1cccnc1OCC(F)F)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001463461437 1068407781 /nfs/dbraw/zinc/40/77/81/1068407781.db2.gz RACOJXKYPGZVDA-UHFFFAOYSA-N 0 0 454.882 4.650 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3cnc(C)c(Br)c3)cn2c1 ZINC001463463733 1068408414 /nfs/dbraw/zinc/40/84/14/1068408414.db2.gz WMXIXSZBKLLGIF-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC001463463925 1068408438 /nfs/dbraw/zinc/40/84/38/1068408438.db2.gz ZIJNBMLRXOAKMN-CTNGQTDRSA-N 0 0 457.573 4.918 20 0 JJADRN C[C@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC001463464607 1068409135 /nfs/dbraw/zinc/40/91/35/1068409135.db2.gz DANHQMHJCKJJOK-YWEHKCAJSA-N 0 0 457.574 4.573 20 0 JJADRN O=S(=O)(NCc1cc2cc(Br)ccc2[nH]1)c1cccc2c(Cl)ccnc21 ZINC001463468359 1068410878 /nfs/dbraw/zinc/41/08/78/1068410878.db2.gz VBQITWDSIDAXED-UHFFFAOYSA-N 0 0 450.745 4.611 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OCC(F)F)cc1 ZINC001463470400 1068412268 /nfs/dbraw/zinc/41/22/68/1068412268.db2.gz IRSZQKYUQHBSNF-FQEVSTJZSA-N 0 0 452.910 4.641 20 0 JJADRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001463471919 1068413015 /nfs/dbraw/zinc/41/30/15/1068413015.db2.gz NRJUGOHUYPOMSR-LJQANCHMSA-N 0 0 451.466 4.907 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cc(I)c(F)cc1F ZINC001463473348 1068413032 /nfs/dbraw/zinc/41/30/32/1068413032.db2.gz NBXMLGBXOGOABB-MRXNPFEDSA-N 0 0 459.278 4.667 20 0 JJADRN O=S(=O)(Cc1c(F)cccc1Cl)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001463474510 1068413624 /nfs/dbraw/zinc/41/36/24/1068413624.db2.gz SFFAKZMVQPQPJY-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1 ZINC001463473660 1068413807 /nfs/dbraw/zinc/41/38/07/1068413807.db2.gz VQKQJLKYMCLYKS-LJQANCHMSA-N 0 0 457.617 4.650 20 0 JJADRN O=C1CCCc2cc(OS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1 ZINC001463476509 1068414313 /nfs/dbraw/zinc/41/43/13/1068414313.db2.gz ZHMNSHPMRHESAC-UHFFFAOYSA-N 0 0 453.360 4.767 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463478165 1068414946 /nfs/dbraw/zinc/41/49/46/1068414946.db2.gz SKNRXVAQZGBHEK-DLVCFXQMSA-N 0 0 461.389 4.917 20 0 JJADRN Cc1c2ccccc2sc1[C@@H](C)NS(=O)(=O)c1cccc(I)c1 ZINC001463479270 1068414993 /nfs/dbraw/zinc/41/49/93/1068414993.db2.gz DTIZBBXXOLXOKH-GFCCVEGCSA-N 0 0 457.358 4.854 20 0 JJADRN O=S(=O)(c1cc2ccccc2s1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001463492586 1068418394 /nfs/dbraw/zinc/41/83/94/1068418394.db2.gz RUNIOZSOGWXPBA-UHFFFAOYSA-N 0 0 452.395 4.896 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001463492771 1068418556 /nfs/dbraw/zinc/41/85/56/1068418556.db2.gz DQMNBZHCDUCSIO-UHFFFAOYSA-N 0 0 450.466 4.904 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c1Cl ZINC001463493726 1068418617 /nfs/dbraw/zinc/41/86/17/1068418617.db2.gz ULGPQNMTHZBHQL-UHFFFAOYSA-N 0 0 454.354 4.682 20 0 JJADRN Cc1cccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)c1I ZINC001463495471 1068419112 /nfs/dbraw/zinc/41/91/12/1068419112.db2.gz UXEXLADJDHZWCY-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)c1cccc(OCc2cscn2)c1)C(=O)OC(C)(C)C ZINC001463496036 1068419205 /nfs/dbraw/zinc/41/92/05/1068419205.db2.gz YBKLDKLXSNPPNG-FQEVSTJZSA-N 0 0 459.612 4.974 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c2cccc(Cl)c2O1 ZINC001463498949 1068419739 /nfs/dbraw/zinc/41/97/39/1068419739.db2.gz OWROPBZFDNPGOD-INIZCTEOSA-N 0 0 452.363 4.854 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N3CCc4cc(Br)cc(F)c43)cc2)n1 ZINC001463500022 1068420502 /nfs/dbraw/zinc/42/05/02/1068420502.db2.gz LWJZVYVYOQHAAJ-UHFFFAOYSA-N 0 0 453.358 4.772 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N[C@@H](CCO)c2ccccc2Br)c(CC)c1 ZINC001463500114 1068420596 /nfs/dbraw/zinc/42/05/96/1068420596.db2.gz BYSLEFLKAZDBEJ-FQEVSTJZSA-N 0 0 454.430 4.538 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC001463504272 1068421073 /nfs/dbraw/zinc/42/10/73/1068421073.db2.gz KMOQISBSWXTUIN-NRFANRHFSA-N 0 0 459.999 4.522 20 0 JJADRN O=S(=O)(N[C@@H](CCO)c1ccccc1Br)c1ccc(Cl)c2ccccc21 ZINC001463505418 1068422014 /nfs/dbraw/zinc/42/20/14/1068422014.db2.gz LYPQIRJXPGZFAW-SFHVURJKSA-N 0 0 454.773 4.658 20 0 JJADRN CN1CCCc2ccc(S(=O)(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc21 ZINC001463507566 1068423241 /nfs/dbraw/zinc/42/32/41/1068423241.db2.gz WPFDHGZWJBTNGV-KRWDZBQOSA-N 0 0 452.420 4.670 20 0 JJADRN O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CCc2cc(Cl)ccc2C1 ZINC001463507242 1068423301 /nfs/dbraw/zinc/42/33/01/1068423301.db2.gz XKQCKSPCLAYNNO-UHFFFAOYSA-N 0 0 454.695 4.868 20 0 JJADRN CCN(C(=O)c1ccc(Oc2cccc(OC)c2)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463511982 1068424630 /nfs/dbraw/zinc/42/46/30/1068424630.db2.gz LMNXGIKMKMEGPU-GOSISDBHSA-N 0 0 455.555 4.744 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccccc1OCCC(C)C ZINC001463514518 1068425278 /nfs/dbraw/zinc/42/52/78/1068425278.db2.gz YYOWNZYZXLMZOL-UHFFFAOYSA-N 0 0 456.402 4.670 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)CCC[C@@H]12 ZINC001463514444 1068425324 /nfs/dbraw/zinc/42/53/24/1068425324.db2.gz SGFOHAYFQUDZJB-VFNWGFHPSA-N 0 0 462.440 4.551 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001463519491 1068426586 /nfs/dbraw/zinc/42/65/86/1068426586.db2.gz DMZQZAVXEVYPGA-QGZVFWFLSA-N 0 0 453.514 4.505 20 0 JJADRN CC1(c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)no2)CCCC1 ZINC001463523064 1068427309 /nfs/dbraw/zinc/42/73/09/1068427309.db2.gz TWYQZFCYFRMEMG-UHFFFAOYSA-N 0 0 451.976 4.587 20 0 JJADRN COc1ccc2c(c1)CCC(S(=O)(=O)N(C)Cc1cc(Br)ccc1Cl)=C2 ZINC001463527385 1068427952 /nfs/dbraw/zinc/42/79/52/1068427952.db2.gz WAQDDZYUMQGVEO-UHFFFAOYSA-N 0 0 456.789 4.860 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCCC4(CCCCC4)CC3)cc2c1C ZINC001463524737 1068427967 /nfs/dbraw/zinc/42/79/67/1068427967.db2.gz DQZWPTNMLMBLED-UHFFFAOYSA-N 0 0 450.626 4.907 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001463523912 1068427997 /nfs/dbraw/zinc/42/79/97/1068427997.db2.gz FHGMTORJZNLNMR-LLVKDONJSA-N 0 0 455.761 4.699 20 0 JJADRN O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1ccc(Br)c(Cl)c1Cl ZINC001463526744 1068428793 /nfs/dbraw/zinc/42/87/93/1068428793.db2.gz DKVRSDQGXCUKJC-NSHDSACASA-N 0 0 455.132 4.697 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001463529738 1068429396 /nfs/dbraw/zinc/42/93/96/1068429396.db2.gz UUPJDVSGLVPIAS-GXFFZTMASA-N 0 0 455.285 4.558 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463531851 1068430203 /nfs/dbraw/zinc/43/02/03/1068430203.db2.gz FNSOSDYXZVWNMF-OAHLLOKOSA-N 0 0 451.514 4.649 20 0 JJADRN Cc1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c(Cl)n1 ZINC001463532862 1068430880 /nfs/dbraw/zinc/43/08/80/1068430880.db2.gz NRGOQCHMTMGGED-UHFFFAOYSA-N 0 0 455.717 4.761 20 0 JJADRN CO[C@@H](CS(=O)(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1)C1CCCC1 ZINC001463533370 1068430890 /nfs/dbraw/zinc/43/08/90/1068430890.db2.gz VLARKDTWYNAKIF-SFHVURJKSA-N 0 0 456.358 4.550 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCOc3ccc(Br)cc32)c1Cl ZINC001463533427 1068430902 /nfs/dbraw/zinc/43/09/02/1068430902.db2.gz XYQXZJFQZQKZNR-UHFFFAOYSA-N 0 0 451.169 4.960 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463533437 1068430963 /nfs/dbraw/zinc/43/09/63/1068430963.db2.gz YGDMSQLYMOPFSY-LBPRGKRZSA-N 0 0 458.889 4.998 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)c1cc(F)cc(Br)c1 ZINC001463535979 1068432235 /nfs/dbraw/zinc/43/22/35/1068432235.db2.gz JFOZZHUSXLWJIZ-CQSZACIVSA-N 0 0 458.740 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC001463539103 1068433838 /nfs/dbraw/zinc/43/38/38/1068433838.db2.gz WHDXQRQJERACKR-AWEZNQCLSA-N 0 0 457.861 4.672 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCCc2occc21)Cc1cc(F)c(F)cc1F ZINC001463538758 1068433904 /nfs/dbraw/zinc/43/39/04/1068433904.db2.gz UICNQWYDDJLIAX-AUUYWEPGSA-N 0 0 452.473 4.717 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)ccc1F ZINC001463540526 1068434596 /nfs/dbraw/zinc/43/45/96/1068434596.db2.gz ZDPYBZPJUJWORX-IBGZPJMESA-N 0 0 459.518 4.665 20 0 JJADRN NC(=O)c1ccc(CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)C2CC2)cc1 ZINC001463546340 1068437307 /nfs/dbraw/zinc/43/73/07/1068437307.db2.gz PSBCJKDDHFIZQQ-UHFFFAOYSA-N 0 0 459.237 4.511 20 0 JJADRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(F)ccc1Br ZINC001463549613 1068438142 /nfs/dbraw/zinc/43/81/42/1068438142.db2.gz ZBJYGTKJKHSOKL-UHFFFAOYSA-N 0 0 450.329 4.992 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001463551605 1068438954 /nfs/dbraw/zinc/43/89/54/1068438954.db2.gz AAGLMCUZKDMCIZ-UHFFFAOYSA-N 0 0 458.967 4.555 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463553252 1068439435 /nfs/dbraw/zinc/43/94/35/1068439435.db2.gz GKAJTEMVSQIVRA-UHFFFAOYSA-N 0 0 457.574 4.568 20 0 JJADRN COc1c(C)cc(C)cc1S(=O)(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001463553102 1068439501 /nfs/dbraw/zinc/43/95/01/1068439501.db2.gz PXELZFWPQFMITE-UHFFFAOYSA-N 0 0 459.608 4.836 20 0 JJADRN O=S(=O)(CCCc1ccccc1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001463555959 1068440041 /nfs/dbraw/zinc/44/00/41/1068440041.db2.gz CZOHDBGRMHJQML-QFIPXVFZSA-N 0 0 459.409 4.680 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)c(C)c1Cl ZINC001463557341 1068440217 /nfs/dbraw/zinc/44/02/17/1068440217.db2.gz ZKDWFLIRAULZPP-AWEZNQCLSA-N 0 0 454.372 4.965 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC001463555340 1068440265 /nfs/dbraw/zinc/44/02/65/1068440265.db2.gz ZMBMAWMKJARMGE-HXUWFJFHSA-N 0 0 454.430 4.691 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)c1cc(Cl)ccc1Cl ZINC001463560697 1068443538 /nfs/dbraw/zinc/44/35/38/1068443538.db2.gz WPTQBDLPIZODGO-SECBINFHSA-N 0 0 453.174 4.946 20 0 JJADRN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)OC(C)C ZINC001463560781 1068443552 /nfs/dbraw/zinc/44/35/52/1068443552.db2.gz HYFZRKBJFQWRRI-KRWDZBQOSA-N 0 0 451.894 4.812 20 0 JJADRN Cc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463565658 1068446595 /nfs/dbraw/zinc/44/65/95/1068446595.db2.gz WODRRYQKTGUEKZ-UHFFFAOYSA-N 0 0 450.894 4.909 20 0 JJADRN O=S(=O)(CCC1Cc2ccccc2C1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001463567372 1068448214 /nfs/dbraw/zinc/44/82/14/1068448214.db2.gz KZYIQGHIPIONRN-NRFANRHFSA-N 0 0 452.389 4.764 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1Br ZINC001463567704 1068448879 /nfs/dbraw/zinc/44/88/79/1068448879.db2.gz PJHWKTSQULRLSN-SFHVURJKSA-N 0 0 451.336 4.513 20 0 JJADRN CSc1ccc(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1Cl ZINC001463569911 1068449780 /nfs/dbraw/zinc/44/97/80/1068449780.db2.gz IAFMWHQZZVKNBS-MRXNPFEDSA-N 0 0 452.951 4.662 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001463570805 1068450339 /nfs/dbraw/zinc/45/03/39/1068450339.db2.gz RDQZITOREWSOMX-GOSISDBHSA-N 0 0 458.002 4.884 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)cc1Cl ZINC001463569987 1068450476 /nfs/dbraw/zinc/45/04/76/1068450476.db2.gz ILPAMBGEVJUDEI-UHFFFAOYSA-N 0 0 459.370 4.881 20 0 JJADRN O=S(=O)(NCCCCCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 ZINC001463571389 1068451105 /nfs/dbraw/zinc/45/11/05/1068451105.db2.gz ZFFZZLRTZOYGLK-UHFFFAOYSA-N 0 0 455.914 4.750 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001463570809 1068451149 /nfs/dbraw/zinc/45/11/49/1068451149.db2.gz RDQZITOREWSOMX-SFHVURJKSA-N 0 0 458.002 4.884 20 0 JJADRN O=C(c1cc(Oc2ccccc2)ccn1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC001463570939 1068451184 /nfs/dbraw/zinc/45/11/84/1068451184.db2.gz SGUPEQQQYXMTGH-UHFFFAOYSA-N 0 0 458.381 4.656 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H]3CCc4ccc(C(C)C)cc43)cc2c1C ZINC001463574074 1068452485 /nfs/dbraw/zinc/45/24/85/1068452485.db2.gz PNKMWYOTXQNPJL-HXUWFJFHSA-N 0 0 458.605 4.871 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc(Br)c(F)cc1F)c1cccc(Cl)c1F ZINC001463577299 1068453109 /nfs/dbraw/zinc/45/31/09/1068453109.db2.gz IEQWAWDCEYXGGC-UHFFFAOYSA-N 0 0 456.711 4.776 20 0 JJADRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC001463580187 1068454464 /nfs/dbraw/zinc/45/44/64/1068454464.db2.gz VCKRNORGIZTXOK-IBGZPJMESA-N 0 0 455.580 4.776 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1Br ZINC001463581514 1068455232 /nfs/dbraw/zinc/45/52/32/1068455232.db2.gz UCDHTJVEQIKTNX-UHFFFAOYSA-N 0 0 458.337 4.786 20 0 JJADRN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463582346 1068455248 /nfs/dbraw/zinc/45/52/48/1068455248.db2.gz MWHVTVIEZUNPRG-UYAOXDASSA-N 0 0 451.386 4.871 20 0 JJADRN CC[C@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCCO1 ZINC001463581881 1068455334 /nfs/dbraw/zinc/45/53/34/1068455334.db2.gz KMPBLSBACRWTBV-HNNXBMFYSA-N 0 0 458.349 4.570 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC001463582985 1068456145 /nfs/dbraw/zinc/45/61/45/1068456145.db2.gz PVVFOGKGRHRVSO-UHFFFAOYSA-N 0 0 459.955 4.920 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)[C@H]3CCCC4(CC4)C3)c2)cc1 ZINC001463583470 1068456230 /nfs/dbraw/zinc/45/62/30/1068456230.db2.gz RUENGUKTXXPCLH-KRWDZBQOSA-N 0 0 458.580 4.804 20 0 JJADRN C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001463584357 1068456823 /nfs/dbraw/zinc/45/68/23/1068456823.db2.gz OQQAHLMEOIMEHN-KRWDZBQOSA-N 0 0 458.580 4.804 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001463584449 1068456897 /nfs/dbraw/zinc/45/68/97/1068456897.db2.gz XMSDRJKNKHQFGD-KSSFIOAISA-N 0 0 479.396 4.633 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC001463584364 1068457003 /nfs/dbraw/zinc/45/70/03/1068457003.db2.gz OUSAKIQITWXKAM-KRWDZBQOSA-N 0 0 458.580 4.804 20 0 JJADRN CCN(Cc1ccccc1Br)S(=O)(=O)c1cc(Br)ccc1F ZINC001463586205 1068457535 /nfs/dbraw/zinc/45/75/35/1068457535.db2.gz AGZXKRZSRFSZDG-UHFFFAOYSA-N 0 0 451.155 4.562 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)C(C)(C)C ZINC001463587358 1068457561 /nfs/dbraw/zinc/45/75/61/1068457561.db2.gz DXERAOOAKQPPPK-CQSZACIVSA-N 0 0 456.552 4.516 20 0 JJADRN CSc1nc2ccc(NC(=O)c3nccnc3C(=O)Nc3ccc(Cl)cc3)cc2s1 ZINC001463592724 1068459499 /nfs/dbraw/zinc/45/94/99/1068459499.db2.gz OSZHDHFBUSPQGH-UHFFFAOYSA-N 0 0 455.952 4.966 20 0 JJADRN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3cccc(Br)c3)CC2)c1 ZINC001463595588 1068460114 /nfs/dbraw/zinc/46/01/14/1068460114.db2.gz DMTSSSUXZUUVKK-UHFFFAOYSA-N 0 0 456.789 4.873 20 0 JJADRN O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC(c2cccc(Br)c2)CC1 ZINC001463596921 1068460202 /nfs/dbraw/zinc/46/02/02/1068460202.db2.gz FNJHEKKJIVDHNU-UHFFFAOYSA-N 0 0 455.761 4.812 20 0 JJADRN CN(C)C[C@@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 ZINC001463600307 1068460920 /nfs/dbraw/zinc/46/09/20/1068460920.db2.gz ULTVALAUSLPOSC-GOSISDBHSA-N 0 0 452.045 4.828 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001463600295 1068461069 /nfs/dbraw/zinc/46/10/69/1068461069.db2.gz UKRRYDHLECIPTL-SFHVURJKSA-N 0 0 456.608 4.573 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(I)c2)cc1NC(=O)NC(C)(C)C ZINC001463602305 1068461808 /nfs/dbraw/zinc/46/18/08/1068461808.db2.gz BDUMCTGJCLGGRZ-UHFFFAOYSA-N 0 0 451.308 4.772 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2CCOc3c(Br)cccc32)cc1C(C)C ZINC001463603812 1068462614 /nfs/dbraw/zinc/46/26/14/1068462614.db2.gz MHGQXQWHAKLLDB-UHFFFAOYSA-N 0 0 454.386 4.949 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 ZINC001463607279 1068464099 /nfs/dbraw/zinc/46/40/99/1068464099.db2.gz NETJPWTYTAZIHL-LLVKDONJSA-N 0 0 450.276 4.753 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1c(C)sc(C)c1Br ZINC001463607158 1068464119 /nfs/dbraw/zinc/46/41/19/1068464119.db2.gz MAOPVMOFBPXCDW-CQSZACIVSA-N 0 0 452.823 4.789 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001463607553 1068464127 /nfs/dbraw/zinc/46/41/27/1068464127.db2.gz LQXWBFVYMVMJFG-UHFFFAOYSA-N 0 0 457.752 4.709 20 0 JJADRN O=C(Cc1c[nH]c2ccc(Br)cc12)Nc1cccc(I)c1 ZINC001463608819 1068464622 /nfs/dbraw/zinc/46/46/22/1068464622.db2.gz VWBLNFIGUHVPER-UHFFFAOYSA-N 0 0 455.093 4.716 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 ZINC001463607838 1068464766 /nfs/dbraw/zinc/46/47/66/1068464766.db2.gz DBINVRPHUKKWTE-UHFFFAOYSA-N 0 0 459.974 4.524 20 0 JJADRN CC[C@H](F)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463610582 1068465409 /nfs/dbraw/zinc/46/54/09/1068465409.db2.gz ZILUDDMPRXQDIR-KRWDZBQOSA-N 0 0 453.967 4.818 20 0 JJADRN CC[C@@H](F)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463610584 1068465509 /nfs/dbraw/zinc/46/55/09/1068465509.db2.gz ZILUDDMPRXQDIR-QGZVFWFLSA-N 0 0 453.967 4.818 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC001463609401 1068465542 /nfs/dbraw/zinc/46/55/42/1068465542.db2.gz GWGCUAMELMYBFT-UHFFFAOYSA-N 0 0 459.458 4.569 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3C[C@H](C)C[C@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001463616827 1068467789 /nfs/dbraw/zinc/46/77/89/1068467789.db2.gz CQSPWJWKXHVVBP-KDURUIRLSA-N 0 0 450.608 4.848 20 0 JJADRN Cn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1NC(=O)OC(C)(C)C ZINC001463622818 1068469907 /nfs/dbraw/zinc/46/99/07/1068469907.db2.gz ZCELOYGWCQKCPQ-UHFFFAOYSA-N 0 0 450.499 4.663 20 0 JJADRN CCSCc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)no1 ZINC001463624227 1068471426 /nfs/dbraw/zinc/47/14/26/1068471426.db2.gz GNVOVNIZUHRFMC-UHFFFAOYSA-N 0 0 451.957 4.634 20 0 JJADRN Cc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)ccc1NC(=O)c1cccs1 ZINC001463624206 1068471435 /nfs/dbraw/zinc/47/14/35/1068471435.db2.gz GITXLBSBORSBNY-UHFFFAOYSA-N 0 0 453.995 4.920 20 0 JJADRN C[C@@H](COCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1 ZINC001463625597 1068471966 /nfs/dbraw/zinc/47/19/66/1068471966.db2.gz JRTVNUVGIKZKAH-KRWDZBQOSA-N 0 0 458.967 4.900 20 0 JJADRN Cc1cnc(F)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC001463625321 1068471978 /nfs/dbraw/zinc/47/19/78/1068471978.db2.gz JDFRBLUYBATMLL-UHFFFAOYSA-N 0 0 453.417 4.601 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCc2ccccc21 ZINC001463625534 1068472040 /nfs/dbraw/zinc/47/20/40/1068472040.db2.gz JCLDCPWNCOLQDF-INIZCTEOSA-N 0 0 455.967 4.531 20 0 JJADRN CC(C)(C)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc21 ZINC001463628435 1068474219 /nfs/dbraw/zinc/47/42/19/1068474219.db2.gz RSMBPJYSGBCEFR-RBBKRZOGSA-N 0 0 456.608 4.767 20 0 JJADRN Cc1ccc(S(=O)(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1I ZINC001463628471 1068474260 /nfs/dbraw/zinc/47/42/60/1068474260.db2.gz RWMVSZQZQAJYKR-INIZCTEOSA-N 0 0 455.361 4.938 20 0 JJADRN CCCN([C@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001463629464 1068475037 /nfs/dbraw/zinc/47/50/37/1068475037.db2.gz GRLNZCJMHVBPRM-CQSZACIVSA-N 0 0 452.001 4.686 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)cc1C ZINC001463631069 1068475553 /nfs/dbraw/zinc/47/55/53/1068475553.db2.gz GEGPAWMIIUPOJK-QGZVFWFLSA-N 0 0 458.605 4.704 20 0 JJADRN COC1(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCC(C)CC1 ZINC001463643792 1068479428 /nfs/dbraw/zinc/47/94/28/1068479428.db2.gz ZSCNCZALYVROCV-UHFFFAOYSA-N 0 0 452.414 4.990 20 0 JJADRN Cn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1C(F)(F)F ZINC001463643788 1068479579 /nfs/dbraw/zinc/47/95/79/1068479579.db2.gz ZRHLDUXYJLDHQY-CQSZACIVSA-N 0 0 455.424 4.764 20 0 JJADRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001463647481 1068480215 /nfs/dbraw/zinc/48/02/15/1068480215.db2.gz CNWHNHZBAWUYMQ-FQEVSTJZSA-N 0 0 452.357 4.584 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(S(=O)(=O)c3cccc(F)c3F)CC2)n1 ZINC001463651055 1068480849 /nfs/dbraw/zinc/48/08/49/1068480849.db2.gz MIIXEICOVZCGRL-UHFFFAOYSA-N 0 0 450.532 4.665 20 0 JJADRN O=S(=O)(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463650209 1068480962 /nfs/dbraw/zinc/48/09/62/1068480962.db2.gz INZRJXMKDFBUIL-XAUMDUMWSA-N 0 0 453.963 4.509 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001463651143 1068481593 /nfs/dbraw/zinc/48/15/93/1068481593.db2.gz NTLPIXODWDFFOV-RCDICMHDSA-N 0 0 454.564 4.632 20 0 JJADRN O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001463653816 1068482347 /nfs/dbraw/zinc/48/23/47/1068482347.db2.gz MSEGTCNKUWWGBN-UHFFFAOYSA-N 0 0 456.951 4.647 20 0 JJADRN O=S(=O)(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c2cc(Br)ccc21 ZINC001463655179 1068483009 /nfs/dbraw/zinc/48/30/09/1068483009.db2.gz FJGCFZAFMSUIDG-OAHLLOKOSA-N 0 0 451.239 4.651 20 0 JJADRN O=C(C[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463654995 1068483289 /nfs/dbraw/zinc/48/32/89/1068483289.db2.gz ATBXNQLYUVKCBJ-SCLBCKFNSA-N 0 0 457.379 4.674 20 0 JJADRN CC(=O)Nc1cc(OC(=O)N2CCc3ccccc32)c(Br)cc1Br ZINC001463655915 1068483798 /nfs/dbraw/zinc/48/37/98/1068483798.db2.gz FZGWKSGSIDPNOA-UHFFFAOYSA-N 0 0 454.118 4.732 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546140671 1068484442 /nfs/dbraw/zinc/48/44/42/1068484442.db2.gz LCTGZCNZTYNKJT-RXVVDRJESA-N 0 0 460.644 4.701 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c(C)s1 ZINC001463665292 1068488619 /nfs/dbraw/zinc/48/86/19/1068488619.db2.gz GLALHVZIAAFYSH-QGZVFWFLSA-N 0 0 457.459 4.692 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)CCOCC1 ZINC001546140771 1068489016 /nfs/dbraw/zinc/48/90/16/1068489016.db2.gz NNSTWYRIAONYPO-FQEVSTJZSA-N 0 0 494.583 4.973 20 0 JJADRN CCc1cc(CC)c(S(=O)(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c(CC)c1 ZINC001463670403 1068489120 /nfs/dbraw/zinc/48/91/20/1068489120.db2.gz VFTGBXJWUWUXRP-QFIPXVFZSA-N 0 0 450.645 4.586 20 0 JJADRN CCN(C)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC001463670988 1068489645 /nfs/dbraw/zinc/48/96/45/1068489645.db2.gz CGPJDSHWBXEPEM-XMMPIXPASA-N 0 0 451.592 4.736 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001463678763 1068491146 /nfs/dbraw/zinc/49/11/46/1068491146.db2.gz KJWFBIZIYDBJML-VQIMIIECSA-N 0 0 453.377 4.809 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)Oc1ccc(F)cc1C(=O)c1ccccc1 ZINC001463678665 1068491781 /nfs/dbraw/zinc/49/17/81/1068491781.db2.gz GGMADIDMTSSRBB-UHFFFAOYSA-N 0 0 455.326 4.957 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)NCc3ccncc3OCc3ccccc3)cc2)n1 ZINC001463679484 1068491799 /nfs/dbraw/zinc/49/17/99/1068491799.db2.gz LALOTMLKCYIFDG-UHFFFAOYSA-N 0 0 451.573 4.571 20 0 JJADRN CCc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1Cl ZINC001463686349 1068493681 /nfs/dbraw/zinc/49/36/81/1068493681.db2.gz DYWHXPXUCPMHOK-UHFFFAOYSA-N 0 0 450.885 4.571 20 0 JJADRN Cc1cc(S(=O)(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1Br ZINC001463690152 1068494834 /nfs/dbraw/zinc/49/48/34/1068494834.db2.gz OHXRCSJQWNNDPJ-UHFFFAOYSA-N 0 0 456.358 4.550 20 0 JJADRN O=S(=O)(c1cc2nc(Cl)ccc2s1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001463688738 1068494839 /nfs/dbraw/zinc/49/48/39/1068494839.db2.gz UEDSUEVVLBBCSY-LJQANCHMSA-N 0 0 458.992 4.874 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC001463691475 1068495453 /nfs/dbraw/zinc/49/54/53/1068495453.db2.gz JWQKMTUSALSSIK-UXHICEINSA-N 0 0 450.988 4.702 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(Cl)c3N)ccc2C)cc1 ZINC001463694218 1068495963 /nfs/dbraw/zinc/49/59/63/1068495963.db2.gz MOFVXUUKDLAHCM-UHFFFAOYSA-N 0 0 459.955 4.682 20 0 JJADRN COCC[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC001463692840 1068496087 /nfs/dbraw/zinc/49/60/87/1068496087.db2.gz ODLGPIHRBNCFKO-HNNXBMFYSA-N 0 0 453.185 4.812 20 0 JJADRN O=S(=O)(Oc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(Br)c1F ZINC001463694785 1068496821 /nfs/dbraw/zinc/49/68/21/1068496821.db2.gz GJFFFCXTFFWDHA-UHFFFAOYSA-N 0 0 451.317 4.556 20 0 JJADRN CCOc1ccc(CCNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1OCC ZINC001463694739 1068496853 /nfs/dbraw/zinc/49/68/53/1068496853.db2.gz JJZCABISAMRVBL-NRFANRHFSA-N 0 0 451.350 4.643 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC001463697244 1068497191 /nfs/dbraw/zinc/49/71/91/1068497191.db2.gz LFTRQXWDTNBOMU-UHFFFAOYSA-N 0 0 458.027 4.769 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c(Br)c1 ZINC001463697729 1068497854 /nfs/dbraw/zinc/49/78/54/1068497854.db2.gz KQKTZCHFQJLOMM-DOMZBBRYSA-N 0 0 453.240 4.821 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001463697894 1068497945 /nfs/dbraw/zinc/49/79/45/1068497945.db2.gz NJIQQIUWQXBIOO-QGZVFWFLSA-N 0 0 452.901 4.691 20 0 JJADRN O=S(=O)(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463700017 1068498677 /nfs/dbraw/zinc/49/86/77/1068498677.db2.gz MLKJKNBKQMRUEJ-UHFFFAOYSA-N 0 0 456.514 4.936 20 0 JJADRN CC(C)CN([C@@H](C)c1ccccc1Cl)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001463702417 1068499806 /nfs/dbraw/zinc/49/98/06/1068499806.db2.gz ZYPLXKVUNCEKPZ-KRWDZBQOSA-N 0 0 459.052 4.658 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1C ZINC001463701971 1068499848 /nfs/dbraw/zinc/49/98/48/1068499848.db2.gz WWTXLXBLRXCFPX-NRFANRHFSA-N 0 0 457.514 4.859 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)ccc1F)N1CCCC1 ZINC001463704536 1068500229 /nfs/dbraw/zinc/50/02/29/1068500229.db2.gz LDXVGTOHJBQHAL-NRFANRHFSA-N 0 0 450.963 4.631 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)cc1Br ZINC001463703106 1068500355 /nfs/dbraw/zinc/50/03/55/1068500355.db2.gz ZCIJBNRGCLZYMX-MLGOLLRUSA-N 0 0 453.240 4.821 20 0 JJADRN Cc1ccc(SC2CCCC2)c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC001463708306 1068501591 /nfs/dbraw/zinc/50/15/91/1068501591.db2.gz NMAGRFQTJUCVQC-UHFFFAOYSA-N 0 0 455.599 4.565 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCCNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001463717475 1068503765 /nfs/dbraw/zinc/50/37/65/1068503765.db2.gz FKQADEDEQKLTCN-CQSZACIVSA-N 0 0 451.416 4.593 20 0 JJADRN Cc1ccc(CSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1 ZINC001463719617 1068504206 /nfs/dbraw/zinc/50/42/06/1068504206.db2.gz VVEGGFUOSNGSTI-FQEVSTJZSA-N 0 0 450.551 4.889 20 0 JJADRN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ncc(Cl)cn1 ZINC001463722951 1068504772 /nfs/dbraw/zinc/50/47/72/1068504772.db2.gz RAEFVMNONINKEG-UHFFFAOYSA-N 0 0 452.345 4.967 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001463722136 1068504883 /nfs/dbraw/zinc/50/48/83/1068504883.db2.gz NJYCVTFHIXFQBM-UHFFFAOYSA-N 0 0 451.880 4.675 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463723968 1068505391 /nfs/dbraw/zinc/50/53/91/1068505391.db2.gz LIPIWKZGFPPBOT-VMKIBOBSSA-N 0 0 454.379 4.553 20 0 JJADRN CC[C@]1(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001463725946 1068505818 /nfs/dbraw/zinc/50/58/18/1068505818.db2.gz PWENHZRZMRDBPC-MHZLTWQESA-N 0 0 451.611 4.521 20 0 JJADRN Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001463726445 1068505927 /nfs/dbraw/zinc/50/59/27/1068505927.db2.gz YFMLRFJZRUDONT-ZWKOTPCHSA-N 0 0 457.036 4.615 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001463728729 1068506562 /nfs/dbraw/zinc/50/65/62/1068506562.db2.gz KYJNJNBJSRVDNO-OAHLLOKOSA-N 0 0 454.777 4.895 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1Br)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001463730401 1068506926 /nfs/dbraw/zinc/50/69/26/1068506926.db2.gz PNRPVGFZLQMBRQ-INIZCTEOSA-N 0 0 454.777 4.895 20 0 JJADRN O=S(=O)(N[C@H]1CCc2c1ccc(F)c2Br)c1csnc1-c1ccccc1 ZINC001463734129 1068507355 /nfs/dbraw/zinc/50/73/55/1068507355.db2.gz LJFBBGYJSYNSKW-HNNXBMFYSA-N 0 0 453.358 4.678 20 0 JJADRN O=S(=O)(Cc1ccccc1Br)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001463732288 1068507434 /nfs/dbraw/zinc/50/74/34/1068507434.db2.gz OWSLHOQSSHFMSW-CQSZACIVSA-N 0 0 459.203 4.531 20 0 JJADRN COc1ccccc1/C=C(/C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC001463737156 1068508124 /nfs/dbraw/zinc/50/81/24/1068508124.db2.gz PILGQDLAZCDIII-LHLOQNFPSA-N 0 0 456.586 4.897 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC001463744193 1068510129 /nfs/dbraw/zinc/51/01/29/1068510129.db2.gz JVDVWZUNLNRQDQ-UHFFFAOYSA-N 0 0 457.518 4.546 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001463744195 1068510268 /nfs/dbraw/zinc/51/02/68/1068510268.db2.gz OBAOSXMWZJURHM-DHIUTWEWSA-N 0 0 454.567 4.503 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC001463744718 1068510918 /nfs/dbraw/zinc/51/09/18/1068510918.db2.gz ZIZOZSDOLNZWMJ-NQIIRXRSSA-N 0 0 454.935 4.779 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC001463747958 1068511299 /nfs/dbraw/zinc/51/12/99/1068511299.db2.gz ZKMNXXGWYQZWSP-SFTDATJTSA-N 0 0 452.551 4.777 20 0 JJADRN CCSc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC001463748312 1068511996 /nfs/dbraw/zinc/51/19/96/1068511996.db2.gz QBDFPKUXQJINSQ-UHFFFAOYSA-N 0 0 452.907 4.545 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC001463748617 1068512079 /nfs/dbraw/zinc/51/20/79/1068512079.db2.gz HDYCLNBZOZITLY-ZDUSSCGKSA-N 0 0 459.568 4.769 20 0 JJADRN Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCC2)c1Cl ZINC001463750515 1068512600 /nfs/dbraw/zinc/51/26/00/1068512600.db2.gz ZAKIXJNRQGJQOR-UHFFFAOYSA-N 0 0 451.416 4.678 20 0 JJADRN CCN1CCc2nc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)sc2C1 ZINC001463752170 1068512953 /nfs/dbraw/zinc/51/29/53/1068512953.db2.gz VDUSNNSMTPUYQN-UHFFFAOYSA-N 0 0 450.351 4.663 20 0 JJADRN COc1cc2c(cc1NC(=O)c1nscc1I)oc1ccccc12 ZINC001463752346 1068512994 /nfs/dbraw/zinc/51/29/94/1068512994.db2.gz KKHVHXIPVNOWEB-UHFFFAOYSA-N 0 0 450.257 4.908 20 0 JJADRN O=S(=O)(NC[C@@H]1CSc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001463758540 1068514840 /nfs/dbraw/zinc/51/48/40/1068514840.db2.gz IFAPHEPKJNXZGB-SECBINFHSA-N 0 0 453.210 4.924 20 0 JJADRN COc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c(C)c1C ZINC001463760519 1068515403 /nfs/dbraw/zinc/51/54/03/1068515403.db2.gz CYJZWFXEPDRTEA-UHFFFAOYSA-N 0 0 458.805 4.738 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)CC[C@@H]1CCc2ccccc21 ZINC001463761469 1068515850 /nfs/dbraw/zinc/51/58/50/1068515850.db2.gz PAWVMHMIMPYDDJ-TVTNDZMWSA-N 0 0 453.526 4.917 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC001463761449 1068515860 /nfs/dbraw/zinc/51/58/60/1068515860.db2.gz PAIUIZMPIHZOGB-GXFFZTMASA-N 0 0 459.433 4.936 20 0 JJADRN COc1ccc2nc(NC(=O)c3cccc(OCCN(C)C(=O)OC(C)(C)C)c3)sc2c1 ZINC001463763167 1068516716 /nfs/dbraw/zinc/51/67/16/1068516716.db2.gz IUDWKCUOJCVVOS-UHFFFAOYSA-N 0 0 457.552 4.803 20 0 JJADRN Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)N(C)CCOc2ccccc2F)n1 ZINC001463764618 1068516988 /nfs/dbraw/zinc/51/69/88/1068516988.db2.gz KPGBLMBSBQQQPN-UHFFFAOYSA-N 0 0 450.539 4.755 20 0 JJADRN CCOc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c(C)c1 ZINC001463765566 1068517230 /nfs/dbraw/zinc/51/72/30/1068517230.db2.gz OLXAPNCVTIJPAN-UHFFFAOYSA-N 0 0 458.805 4.820 20 0 JJADRN COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(Br)c1 ZINC001463765813 1068517277 /nfs/dbraw/zinc/51/72/77/1068517277.db2.gz LCVLCMPYSQTCJQ-CYBMUJFWSA-N 0 0 450.276 4.703 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1 ZINC001463767172 1068517620 /nfs/dbraw/zinc/51/76/20/1068517620.db2.gz LMXBHGOCNLLLGV-IBGZPJMESA-N 0 0 450.645 4.975 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001463768911 1068518174 /nfs/dbraw/zinc/51/81/74/1068518174.db2.gz QWPITZYINAYKPC-ICSRJNTNSA-N 0 0 459.505 4.966 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc(Cl)cc1F ZINC001463769860 1068518735 /nfs/dbraw/zinc/51/87/35/1068518735.db2.gz XBSHPNOUXUXVGU-UHFFFAOYSA-N 0 0 453.160 4.905 20 0 JJADRN C[C@@H](CCCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463769710 1068518787 /nfs/dbraw/zinc/51/87/87/1068518787.db2.gz TZXINFSVZYOTMK-AWEZNQCLSA-N 0 0 455.646 4.566 20 0 JJADRN O=C(NCC1(c2ccccn2)CC1)c1cccnc1SCc1cccc(Br)c1 ZINC001546141571 1068519462 /nfs/dbraw/zinc/51/94/62/1068519462.db2.gz LXZHCMJCQGOZFB-UHFFFAOYSA-N 0 0 454.393 4.993 20 0 JJADRN Cc1cc(N2CCN(C(=O)c3cc4ccc(Br)cc4s3)CC2)nc(C(C)C)n1 ZINC001463771765 1068519918 /nfs/dbraw/zinc/51/99/18/1068519918.db2.gz OISOTPSQRXIDCO-UHFFFAOYSA-N 0 0 459.413 4.848 20 0 JJADRN C[C@@H](OCCCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463773022 1068520577 /nfs/dbraw/zinc/52/05/77/1068520577.db2.gz GTEVUEKNEFVRSS-VGSWGCGISA-N 0 0 451.394 4.651 20 0 JJADRN C[C@@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC001463774951 1068520994 /nfs/dbraw/zinc/52/09/94/1068520994.db2.gz LBIQPWIZICVGPF-SUMDDJOVSA-N 0 0 468.978 4.555 20 0 JJADRN COc1cccc(/C=C\c2ccc(OS(=O)(=O)C[C@H](Cc3ccc(F)cc3)OC)cc2)c1 ZINC001463774688 1068521116 /nfs/dbraw/zinc/52/11/16/1068521116.db2.gz JXNNZUBELLHJPS-KBDOHKNDSA-N 0 0 456.535 4.971 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001463774727 1068521168 /nfs/dbraw/zinc/52/11/68/1068521168.db2.gz KNGZRRHRQBUQGE-NHCUHLMSSA-N 0 0 450.645 4.858 20 0 JJADRN C[C@H](OCCCNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1ccccc1 ZINC001463777150 1068521661 /nfs/dbraw/zinc/52/16/61/1068521661.db2.gz LQJKNLZFADOPEY-IPCAQAEESA-N 0 0 459.575 4.684 20 0 JJADRN C[C@H](OCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccccc1 ZINC001463779365 1068522131 /nfs/dbraw/zinc/52/21/31/1068522131.db2.gz SZWGGQSEVMJZDU-INIZCTEOSA-N 0 0 454.473 4.820 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3)cc21 ZINC001463781103 1068522513 /nfs/dbraw/zinc/52/25/13/1068522513.db2.gz BBGVHTMVPLWWAD-QGZVFWFLSA-N 0 0 459.340 4.752 20 0 JJADRN CCN(CC(=O)Oc1ccc(NC(C)=O)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001463780999 1068522535 /nfs/dbraw/zinc/52/25/35/1068522535.db2.gz PRTOJTIVJUIJRR-UHFFFAOYSA-N 0 0 458.514 4.821 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1cnc2ccccc2c1 ZINC001463783284 1068523245 /nfs/dbraw/zinc/52/32/45/1068523245.db2.gz JAFSXOICSLNTST-JOCHJYFZSA-N 0 0 458.027 4.809 20 0 JJADRN CC(C)OC(=O)C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC001463786669 1068523598 /nfs/dbraw/zinc/52/35/98/1068523598.db2.gz XPIMJNJZZWZZAM-ZXJUBJKJSA-N 0 0 458.599 4.754 20 0 JJADRN CC(C)OC(=O)C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC001463786666 1068523697 /nfs/dbraw/zinc/52/36/97/1068523697.db2.gz XPIMJNJZZWZZAM-VCWGRIPDSA-N 0 0 458.599 4.754 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c(Cl)c1 ZINC001463786595 1068523817 /nfs/dbraw/zinc/52/38/17/1068523817.db2.gz SYHPANLUOAPJBC-QGZVFWFLSA-N 0 0 456.391 4.956 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCc2ccc(Br)cc2Cl)cc1C(F)(F)F ZINC001463789534 1068524667 /nfs/dbraw/zinc/52/46/67/1068524667.db2.gz PKWYTSUOUPSWRR-UHFFFAOYSA-N 0 0 456.711 4.951 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1 ZINC001463792962 1068525746 /nfs/dbraw/zinc/52/57/46/1068525746.db2.gz PIXCEZHYANJBJD-IBGZPJMESA-N 0 0 457.514 4.953 20 0 JJADRN CCc1nccn1[C@@H](C)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463792630 1068525802 /nfs/dbraw/zinc/52/58/02/1068525802.db2.gz AHAGRRNLCUGLPZ-IBGZPJMESA-N 0 0 452.549 4.609 20 0 JJADRN COc1cc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OC(C)C ZINC001463794331 1068527101 /nfs/dbraw/zinc/52/71/01/1068527101.db2.gz HSFAOAFRSURNFO-UHFFFAOYSA-N 0 0 459.590 4.534 20 0 JJADRN O=S(=O)(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc(Cl)cc1Cl ZINC001463796229 1068527497 /nfs/dbraw/zinc/52/74/97/1068527497.db2.gz KTKFTAQCPTYLHZ-UHFFFAOYSA-N 0 0 452.762 4.856 20 0 JJADRN Cc1sc(C)c(S(=O)(=O)NCc2cc(Br)ccc2F)c1Br ZINC001463796080 1068527662 /nfs/dbraw/zinc/52/76/62/1068527662.db2.gz JLVNDNIVTHGFHA-UHFFFAOYSA-N 0 0 457.184 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cn2)C1 ZINC001463797909 1068527927 /nfs/dbraw/zinc/52/79/27/1068527927.db2.gz XXQLPFCDIFVJKE-QFIPXVFZSA-N 0 0 454.546 4.524 20 0 JJADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1sc2cc(F)ccc2c1C ZINC001463800803 1068529723 /nfs/dbraw/zinc/52/97/23/1068529723.db2.gz SXNVYANAUORZHI-UHFFFAOYSA-N 0 0 455.511 4.677 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C(C)C)cc1OCC ZINC001463801120 1068530078 /nfs/dbraw/zinc/53/00/78/1068530078.db2.gz RTHCUOBNLGURJO-RDPSFJRHSA-N 0 0 459.631 4.662 20 0 JJADRN O=C(NCCCOc1ccccc1)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC001463801214 1068530166 /nfs/dbraw/zinc/53/01/66/1068530166.db2.gz UQDKQEHVIKEOFW-UHFFFAOYSA-N 0 0 454.368 4.713 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1 ZINC001463802652 1068530195 /nfs/dbraw/zinc/53/01/95/1068530195.db2.gz HHIPODABFTZBSP-HNAYVOBHSA-N 0 0 458.805 4.545 20 0 JJADRN CCc1cc(S(=O)(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)c(C)cc1OC ZINC001463803258 1068530613 /nfs/dbraw/zinc/53/06/13/1068530613.db2.gz UCOCPJAOIRAKNZ-UHFFFAOYSA-N 0 0 454.430 4.937 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C(C)C ZINC001463802471 1068530694 /nfs/dbraw/zinc/53/06/94/1068530694.db2.gz VWTAIZFQTHMLMT-UHFFFAOYSA-N 0 0 458.606 4.701 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC001463805257 1068531362 /nfs/dbraw/zinc/53/13/62/1068531362.db2.gz FJZWYMSDPREFRA-ZETCQYMHSA-N 0 0 457.184 4.760 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001463806284 1068531861 /nfs/dbraw/zinc/53/18/61/1068531861.db2.gz OFOWMMQEBXOHEP-BEFAXECRSA-N 0 0 458.805 4.545 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2CCC(c3noc4cc(F)ccc43)CC2)s1 ZINC001463815786 1068534558 /nfs/dbraw/zinc/53/45/58/1068534558.db2.gz AABHUQULCQRJJN-UHFFFAOYSA-N 0 0 459.362 4.668 20 0 JJADRN COC(=O)C[C@@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)c1cccc2ccccc21 ZINC001463822073 1068535838 /nfs/dbraw/zinc/53/58/38/1068535838.db2.gz IQJXHPKTDRCQRY-HXUWFJFHSA-N 0 0 454.935 4.624 20 0 JJADRN CCc1ccc(N(C(C)C)S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)cc1 ZINC001463823360 1068536136 /nfs/dbraw/zinc/53/61/36/1068536136.db2.gz MQXQHMVXMPVNAO-UHFFFAOYSA-N 0 0 453.402 4.882 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001463823597 1068536153 /nfs/dbraw/zinc/53/61/53/1068536153.db2.gz ZIZOCLIFKGNKCM-NRFANRHFSA-N 0 0 450.645 4.895 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)CCC2 ZINC001463823043 1068536392 /nfs/dbraw/zinc/53/63/92/1068536392.db2.gz XFNYLPWXYWQXET-INIZCTEOSA-N 0 0 459.203 4.876 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546142017 1068536413 /nfs/dbraw/zinc/53/64/13/1068536413.db2.gz BGXGHCLLGUSBDH-PMACEKPBSA-N 0 0 461.651 4.841 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CCC1 ZINC001546142018 1068536472 /nfs/dbraw/zinc/53/64/72/1068536472.db2.gz BGXGHCLLGUSBDH-UXHICEINSA-N 0 0 461.651 4.841 20 0 JJADRN O=S(=O)(Cc1cccc(Br)c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001463823271 1068536543 /nfs/dbraw/zinc/53/65/43/1068536543.db2.gz CIYQGJYOEXGWQK-UHFFFAOYSA-N 0 0 451.361 4.779 20 0 JJADRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC001463824902 1068537164 /nfs/dbraw/zinc/53/71/64/1068537164.db2.gz QXOWWUCKHKYINX-LEOXJPRUSA-N 0 0 454.998 4.961 20 0 JJADRN Cc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825770 1068537812 /nfs/dbraw/zinc/53/78/12/1068537812.db2.gz KEGVRBXHCWMANR-MAUKXSAKSA-N 0 0 450.988 4.983 20 0 JJADRN O=S(=O)(NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)C1=Cc2ccccc2OC1 ZINC001463828198 1068539515 /nfs/dbraw/zinc/53/95/15/1068539515.db2.gz GJPXJNJYWXDSNY-XMMPIXPASA-N 0 0 455.963 4.951 20 0 JJADRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001463832986 1068540574 /nfs/dbraw/zinc/54/05/74/1068540574.db2.gz OXBBACVUMOVSDU-UHFFFAOYSA-N 0 0 451.567 4.714 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)OCc2cccc(Cl)c2)CC1 ZINC001463833736 1068540987 /nfs/dbraw/zinc/54/09/87/1068540987.db2.gz PYBFEYNGFIOUSB-WOJBJXKFSA-N 0 0 452.979 4.761 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC001463836517 1068541783 /nfs/dbraw/zinc/54/17/83/1068541783.db2.gz JUGIMVIZWGKIFV-INIZCTEOSA-N 0 0 450.992 4.710 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)CCOCC1 ZINC001546142133 1068543112 /nfs/dbraw/zinc/54/31/12/1068543112.db2.gz DHVWNMUIHMFKPI-OAQYLSRUSA-N 0 0 473.662 4.756 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC001463839423 1068543489 /nfs/dbraw/zinc/54/34/89/1068543489.db2.gz MBEJETHUUOXEFS-NSHDSACASA-N 0 0 452.292 4.824 20 0 JJADRN COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001463842179 1068544027 /nfs/dbraw/zinc/54/40/27/1068544027.db2.gz XBMUUNLYPXYQHQ-NSHDSACASA-N 0 0 452.292 4.824 20 0 JJADRN Cc1ccc(NC(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1C(F)(F)F ZINC001463843315 1068545158 /nfs/dbraw/zinc/54/51/58/1068545158.db2.gz JYAVIKRXWANGDN-UHFFFAOYSA-N 0 0 456.505 4.885 20 0 JJADRN COc1cccc([C@H](C)CCCC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC2)c1 ZINC001463844684 1068545722 /nfs/dbraw/zinc/54/57/22/1068545722.db2.gz LNIMUKRFJJYDJR-GOSISDBHSA-N 0 0 454.567 4.861 20 0 JJADRN O=C([C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC001463846361 1068546396 /nfs/dbraw/zinc/54/63/96/1068546396.db2.gz MVEFWPGJIHBRMV-HSZRJFAPSA-N 0 0 456.373 4.853 20 0 JJADRN COC/C(C)=C\C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463848604 1068547235 /nfs/dbraw/zinc/54/72/35/1068547235.db2.gz SBZYFZTUPNWSLU-RAXLEYEMSA-N 0 0 456.536 4.642 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc12 ZINC001463852249 1068548435 /nfs/dbraw/zinc/54/84/35/1068548435.db2.gz ZPRRXSJTTPJPDC-FQEVSTJZSA-N 0 0 457.514 4.608 20 0 JJADRN CC(C)(C)C[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1(C)C ZINC001463857085 1068548662 /nfs/dbraw/zinc/54/86/62/1068548662.db2.gz KOLJBSXUOXOFPY-RTWAWAEBSA-N 0 0 450.645 4.654 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)oc21 ZINC001463868822 1068551348 /nfs/dbraw/zinc/55/13/48/1068551348.db2.gz IRCMSJPZCWFVHI-UHFFFAOYSA-N 0 0 456.340 4.845 20 0 JJADRN Cc1cc(C)n(-c2ccc(OS(=O)(=O)c3c(Cl)cc(F)cc3Br)cc2)n1 ZINC001463872442 1068551848 /nfs/dbraw/zinc/55/18/48/1068551848.db2.gz LTAPDCQITXGBAG-UHFFFAOYSA-N 0 0 459.724 4.812 20 0 JJADRN CSc1ccccc1OC[C@@H](O)CN(C(C)C)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC001463871766 1068551891 /nfs/dbraw/zinc/55/18/91/1068551891.db2.gz JEBMDCOWZQQLJL-QFIPXVFZSA-N 0 0 459.633 4.542 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1NC(=O)NC(C)(C)C ZINC001463878234 1068553981 /nfs/dbraw/zinc/55/39/81/1068553981.db2.gz HDNCRWABKKYRKC-UHFFFAOYSA-N 0 0 451.489 4.924 20 0 JJADRN CC(C)[C@H]1N(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC12CCOCC2 ZINC001463878649 1068554022 /nfs/dbraw/zinc/55/40/22/1068554022.db2.gz NLHORTCOWSFKMB-OAHLLOKOSA-N 0 0 457.217 4.582 20 0 JJADRN COc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CCCC2)cc1 ZINC001463881014 1068554413 /nfs/dbraw/zinc/55/44/13/1068554413.db2.gz NOPBSZBDAVLVNM-UHFFFAOYSA-N 0 0 450.560 4.947 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]nc1-c1ccccc1Cl ZINC001463884167 1068555127 /nfs/dbraw/zinc/55/51/27/1068555127.db2.gz WIWZNVABUNJKDX-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)s1 ZINC001463886711 1068555543 /nfs/dbraw/zinc/55/55/43/1068555543.db2.gz NUGOQSAGMIFAGY-UHFFFAOYSA-N 0 0 456.524 4.907 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC001463886644 1068555664 /nfs/dbraw/zinc/55/56/64/1068555664.db2.gz MFZAOWKDEYAFSH-GOSISDBHSA-N 0 0 454.011 4.787 20 0 JJADRN Cc1cc([C@@H](CC(=O)Nc2ccc(N3CCCC3)nc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001463887107 1068556098 /nfs/dbraw/zinc/55/60/98/1068556098.db2.gz PLNLFCHZPNGITP-GOSISDBHSA-N 0 0 459.978 4.633 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)n[nH]2)c1C ZINC001463886971 1068556146 /nfs/dbraw/zinc/55/61/46/1068556146.db2.gz NGTUQZYIWUYVCC-AWEZNQCLSA-N 0 0 456.978 4.603 20 0 JJADRN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)CCOCC1 ZINC001546142473 1068556247 /nfs/dbraw/zinc/55/62/47/1068556247.db2.gz KUEJZPMCTHFZKG-NRFANRHFSA-N 0 0 473.662 4.756 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)COC1(C)C ZINC001463891016 1068556528 /nfs/dbraw/zinc/55/65/28/1068556528.db2.gz SPARRPOSCXCODW-GOSISDBHSA-N 0 0 457.527 4.623 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)NCCc2ccccc2Oc2ccc(C)cc2)ccc1C ZINC001463890364 1068556627 /nfs/dbraw/zinc/55/66/27/1068556627.db2.gz WQMBLBQVJGDXPB-UHFFFAOYSA-N 0 0 453.560 4.793 20 0 JJADRN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001463891152 1068557269 /nfs/dbraw/zinc/55/72/69/1068557269.db2.gz VUNSQNWNLWGWJE-UXHICEINSA-N 0 0 455.498 4.839 20 0 JJADRN CC(C)(C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccc(OC(F)(F)F)cc1 ZINC001463895625 1068558178 /nfs/dbraw/zinc/55/81/78/1068558178.db2.gz FCAIWMMDZIRJDA-INIZCTEOSA-N 0 0 450.505 4.587 20 0 JJADRN CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463899743 1068559493 /nfs/dbraw/zinc/55/94/93/1068559493.db2.gz GIXKHXUXXULITO-YADHBBJMSA-N 0 0 458.377 4.707 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001463902662 1068560538 /nfs/dbraw/zinc/56/05/38/1068560538.db2.gz GWLFFHJVILAVIH-LSDHHAIUSA-N 0 0 468.347 4.880 20 0 JJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001463901756 1068560676 /nfs/dbraw/zinc/56/06/76/1068560676.db2.gz BDZOWDOAHRZCGU-WMLDXEAASA-N 0 0 472.413 4.864 20 0 JJADRN CCCCc1ccc([C@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1 ZINC001463908580 1068562321 /nfs/dbraw/zinc/56/23/21/1068562321.db2.gz BSPWJCQSPGSTJI-DEOSSOPVSA-N 0 0 456.633 4.583 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C(F)(F)F)o1 ZINC001463914830 1068564208 /nfs/dbraw/zinc/56/42/08/1068564208.db2.gz YKINYHXIFPCFIY-GOSISDBHSA-N 0 0 450.379 4.986 20 0 JJADRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccnc(Cl)c1I ZINC001463917871 1068565051 /nfs/dbraw/zinc/56/50/51/1068565051.db2.gz IRTCJVKEDYSTOU-UHFFFAOYSA-N 0 0 454.617 4.631 20 0 JJADRN O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463924983 1068567113 /nfs/dbraw/zinc/56/71/13/1068567113.db2.gz MCNCJMWYMDTOPH-ZWKOTPCHSA-N 0 0 455.462 4.955 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2csc(Br)n2)c2c[nH]c3ccccc32)cc1 ZINC001463929639 1068568805 /nfs/dbraw/zinc/56/88/05/1068568805.db2.gz GOYUENJGFPYCRO-MRXNPFEDSA-N 0 0 456.365 4.957 20 0 JJADRN COc1ccc([C@H](CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c2c[nH]c3ccccc32)cc1 ZINC001463932571 1068569114 /nfs/dbraw/zinc/56/91/14/1068569114.db2.gz PCUULASFLLSVKY-UWJYYQICSA-N 0 0 451.567 4.585 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2cc(C)nc(C(F)(F)F)n2)c2c[nH]c3ccccc32)cc1 ZINC001463932517 1068569275 /nfs/dbraw/zinc/56/92/75/1068569275.db2.gz ONCTWQHEHKNOOX-SFHVURJKSA-N 0 0 454.452 4.856 20 0 JJADRN CC(C)CCC[C@@H](C)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001463950436 1068572699 /nfs/dbraw/zinc/57/26/99/1068572699.db2.gz SOHHYXVAMONWEY-OAHLLOKOSA-N 0 0 457.566 4.732 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC001463957908 1068575269 /nfs/dbraw/zinc/57/52/69/1068575269.db2.gz DLQZEGDCSBJMBZ-UHFFFAOYSA-N 0 0 451.592 4.572 20 0 JJADRN CCN(CC)c1ccc(NC(=O)c2c(C)cnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001463961438 1068575777 /nfs/dbraw/zinc/57/57/77/1068575777.db2.gz UMVYUFAXHTXDHT-OAQYLSRUSA-N 0 0 455.603 4.862 20 0 JJADRN O=S(=O)(NCc1ccc(COc2cccc(F)c2)cc1)c1ccccc1OC(F)(F)F ZINC001463962693 1068575827 /nfs/dbraw/zinc/57/58/27/1068575827.db2.gz WNVXJJQICOOTMY-UHFFFAOYSA-N 0 0 455.429 4.782 20 0 JJADRN C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C[C@H]1C(=O)OC(C)(C)C ZINC001463962919 1068575953 /nfs/dbraw/zinc/57/59/53/1068575953.db2.gz STMQVWGCSBQHPT-CRAIPNDOSA-N 0 0 458.020 4.507 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001546143018 1068576486 /nfs/dbraw/zinc/57/64/86/1068576486.db2.gz WYWPALBYZFAHLL-MOPGFXCFSA-N 0 0 463.692 4.915 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1 ZINC001463963606 1068576567 /nfs/dbraw/zinc/57/65/67/1068576567.db2.gz SRRFTTWQSUIXOX-AREMUKBSSA-N 0 0 452.595 4.995 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001546143021 1068576697 /nfs/dbraw/zinc/57/66/97/1068576697.db2.gz WYWPALBYZFAHLL-RTBURBONSA-N 0 0 463.692 4.915 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001463968303 1068577899 /nfs/dbraw/zinc/57/78/99/1068577899.db2.gz BAPVCVVZARBPIT-ZNYYCOGKSA-N 0 0 453.391 4.972 20 0 JJADRN CC(C)(C)OCCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001463969485 1068577930 /nfs/dbraw/zinc/57/79/30/1068577930.db2.gz FTZGZWSZAIJLFS-LFIBNONCSA-N 0 0 459.395 4.741 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001463969008 1068577941 /nfs/dbraw/zinc/57/79/41/1068577941.db2.gz FALNLXIALHSFKR-YBEGLDIGSA-N 0 0 457.379 4.541 20 0 JJADRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001463971049 1068578289 /nfs/dbraw/zinc/57/82/89/1068578289.db2.gz OWTJPFVZGNWYDN-UHFFFAOYSA-N 0 0 453.587 4.566 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001463970674 1068578308 /nfs/dbraw/zinc/57/83/08/1068578308.db2.gz MKZMPXFGCAUGGF-ZJURKNROSA-N 0 0 477.369 4.655 20 0 JJADRN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC001463976558 1068579571 /nfs/dbraw/zinc/57/95/71/1068579571.db2.gz WSYYPZQTFVTWNC-LJQANCHMSA-N 0 0 452.576 4.946 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)c(Cl)c1Cl ZINC001463974284 1068579636 /nfs/dbraw/zinc/57/96/36/1068579636.db2.gz ZVXGLXSRFABQGR-FRRDWIJNSA-N 0 0 466.427 4.673 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC001463975019 1068579652 /nfs/dbraw/zinc/57/96/52/1068579652.db2.gz OYYBIRCPJBEJNZ-UHFFFAOYSA-N 0 0 457.755 4.854 20 0 JJADRN CCCCOc1cc(OCCC)ccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001463976563 1068579668 /nfs/dbraw/zinc/57/96/68/1068579668.db2.gz WZJQMIPFDLIZDA-UHFFFAOYSA-N 0 0 458.986 4.906 20 0 JJADRN CCOc1cc(CN(C)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1OC(F)F ZINC001463976297 1068579728 /nfs/dbraw/zinc/57/97/28/1068579728.db2.gz OCUUDDUYTUOPGP-NVXWUHKLSA-N 0 0 456.530 4.681 20 0 JJADRN CCc1csc(CC2CCN(S(=O)(=O)Cc3cc(C)ccc3Br)CC2)n1 ZINC001463978650 1068580428 /nfs/dbraw/zinc/58/04/28/1068580428.db2.gz PEAGDHQDYOBLMO-UHFFFAOYSA-N 0 0 457.459 4.561 20 0 JJADRN Cc1c(Br)cccc1CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001463980103 1068580955 /nfs/dbraw/zinc/58/09/55/1068580955.db2.gz PXZFXAUCWHQONT-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN CN(Cc1ccc2c(c1)OC(F)(F)O2)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001463981933 1068581225 /nfs/dbraw/zinc/58/12/25/1068581225.db2.gz YUYKEJKIBPZTNP-UHFFFAOYSA-N 0 0 459.898 4.661 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC001463990632 1068582537 /nfs/dbraw/zinc/58/25/37/1068582537.db2.gz DHUSDSDDJBDOSO-UHFFFAOYSA-N 0 0 454.958 4.518 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)Oc1ccc(N=S2(=O)CCCC2)cc1 ZINC001463993168 1068583018 /nfs/dbraw/zinc/58/30/18/1068583018.db2.gz OQTAYDZRRGERRI-UHFFFAOYSA-N 0 0 458.399 4.560 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463997812 1068583655 /nfs/dbraw/zinc/58/36/55/1068583655.db2.gz LHKOIWVYNGDGME-WMZHIEFXSA-N 0 0 453.583 4.602 20 0 JJADRN COc1cc(CNC(=O)CN[C@H](c2ccccc2)C(F)(F)F)ccc1OCc1ccccc1 ZINC001463998405 1068584120 /nfs/dbraw/zinc/58/41/20/1068584120.db2.gz VUTBFZNGLJRDRX-XMMPIXPASA-N 0 0 458.480 4.784 20 0 JJADRN Cc1ccccc1[C@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1CCC(C)CC1 ZINC001463998684 1068584299 /nfs/dbraw/zinc/58/42/99/1068584299.db2.gz IDGUQBNJEQLVON-INXVGGANSA-N 0 0 450.645 4.649 20 0 JJADRN Cc1ccccc1[C@@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1CCC(C)CC1 ZINC001463998690 1068584452 /nfs/dbraw/zinc/58/44/52/1068584452.db2.gz IDGUQBNJEQLVON-QVHXHXEWSA-N 0 0 450.645 4.649 20 0 JJADRN O=S(=O)(NCC1(c2ccccc2F)CCC1)c1c(Cl)cc(F)cc1Br ZINC001464001572 1068585031 /nfs/dbraw/zinc/58/50/31/1068585031.db2.gz JNOSDIPSQOIVNW-UHFFFAOYSA-N 0 0 450.732 4.781 20 0 JJADRN CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1 ZINC001464000395 1068585078 /nfs/dbraw/zinc/58/50/78/1068585078.db2.gz BJAPPSBIXJCXCU-MRXNPFEDSA-N 0 0 450.576 4.842 20 0 JJADRN CC(C)(C)OC(=O)C1(NS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)CCCCCC1 ZINC001464004687 1068586029 /nfs/dbraw/zinc/58/60/29/1068586029.db2.gz DAHGENPOACWUSQ-UHFFFAOYSA-N 0 0 458.020 4.842 20 0 JJADRN O=C(NCc1cccnc1N1CCOCC1)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC001464005542 1068586528 /nfs/dbraw/zinc/58/65/28/1068586528.db2.gz NEHOCGLITDOLQJ-JOCHJYFZSA-N 0 0 453.995 4.721 20 0 JJADRN CC(C)CN(CCc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001464004913 1068586719 /nfs/dbraw/zinc/58/67/19/1068586719.db2.gz LHWQIMGUEFZHQU-UHFFFAOYSA-N 0 0 450.604 4.506 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001464009363 1068587703 /nfs/dbraw/zinc/58/77/03/1068587703.db2.gz PSZOQFFEJSQAHV-QGZVFWFLSA-N 0 0 454.297 4.685 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OS(=O)(=O)C2(COCc3ccccc3)CC2)c(Cl)c1 ZINC001464013148 1068588772 /nfs/dbraw/zinc/58/87/72/1068588772.db2.gz IPQTUDXNSJMWMD-UHFFFAOYSA-N 0 0 453.944 4.755 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCc3c(ccc(OC)c3OC)[C@H]2CC)c2ccccc12 ZINC001464013309 1068588906 /nfs/dbraw/zinc/58/89/06/1068588906.db2.gz YMGYZEVAEBBXEF-OAQYLSRUSA-N 0 0 455.576 4.954 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCc2cccc(Oc3ccc(F)cc3)n2)s1 ZINC001464020714 1068591054 /nfs/dbraw/zinc/59/10/54/1068591054.db2.gz SZHHCBROZYHALS-UHFFFAOYSA-N 0 0 457.346 4.624 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3cccc(OC4CCCC4)c3)cs2)c1 ZINC001464023860 1068591539 /nfs/dbraw/zinc/59/15/39/1068591539.db2.gz DXFCHYJRVHCZFN-UHFFFAOYSA-N 0 0 451.548 4.912 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c2ccccc12 ZINC001464022891 1068591730 /nfs/dbraw/zinc/59/17/30/1068591730.db2.gz GUTRMQLDQZGJFN-BVZFJXPGSA-N 0 0 474.623 4.554 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Br)cc1 ZINC001464028685 1068592866 /nfs/dbraw/zinc/59/28/66/1068592866.db2.gz ROGBYLYJLDFROZ-SFHVURJKSA-N 0 0 456.377 4.524 20 0 JJADRN CCSc1ccc(CC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC001464028641 1068592979 /nfs/dbraw/zinc/59/29/79/1068592979.db2.gz UFVPQMFBMFFQFG-LJQANCHMSA-N 0 0 450.608 4.605 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001464029689 1068593452 /nfs/dbraw/zinc/59/34/52/1068593452.db2.gz MRJQZRHXUMIKTE-MRXNPFEDSA-N 0 0 456.358 4.909 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1 ZINC001464030363 1068593477 /nfs/dbraw/zinc/59/34/77/1068593477.db2.gz VSOBYYGYBWUEEA-FQEVSTJZSA-N 0 0 452.576 4.593 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001464036240 1068595623 /nfs/dbraw/zinc/59/56/23/1068595623.db2.gz OWLNLZZTZODURE-INIZCTEOSA-N 0 0 451.169 4.518 20 0 JJADRN Cc1nc(-c2ccc([C@@H](C)NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)cs1 ZINC001464038702 1068596423 /nfs/dbraw/zinc/59/64/23/1068596423.db2.gz ZVUJROXUDUPQJU-OXQOHEQNSA-N 0 0 459.612 4.712 20 0 JJADRN CC(C)c1cccc(O[C@H](C(=O)NCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1 ZINC001464040549 1068596830 /nfs/dbraw/zinc/59/68/30/1068596830.db2.gz CNTHCBPMSAVBTL-NDEPHWFRSA-N 0 0 457.618 4.869 20 0 JJADRN C/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001464041290 1068597510 /nfs/dbraw/zinc/59/75/10/1068597510.db2.gz FMBGODAVOZFWNF-DTQAZKPQSA-N 0 0 457.361 4.791 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001464041095 1068597583 /nfs/dbraw/zinc/59/75/83/1068597583.db2.gz MPBLODFDVQEOBU-OBFCRDIZSA-N 0 0 473.360 4.529 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@]3(C)Cc3ccc(OC(F)(F)F)cc3)ccc2O1 ZINC001464043342 1068597954 /nfs/dbraw/zinc/59/79/54/1068597954.db2.gz OUSNWKLRSQUEEV-BTYIYWSLSA-N 0 0 455.498 4.695 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(F)c(OS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC001464043108 1068598050 /nfs/dbraw/zinc/59/80/50/1068598050.db2.gz QQSYAPOHWOWVCY-UHFFFAOYSA-N 0 0 451.516 4.533 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C(C)C ZINC001464045291 1068598778 /nfs/dbraw/zinc/59/87/78/1068598778.db2.gz CMJNVTPEECGZQF-SFHVURJKSA-N 0 0 454.633 4.667 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001464045493 1068599267 /nfs/dbraw/zinc/59/92/67/1068599267.db2.gz FSAXKZDLPYQCSO-HXUWFJFHSA-N 0 0 454.571 4.848 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NS(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC001464054357 1068601035 /nfs/dbraw/zinc/60/10/35/1068601035.db2.gz MMBYDARSEAFPNA-NHCUHLMSSA-N 0 0 468.635 4.664 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)NC3(c4ccc(Br)cc4)CCCCC3)ccc2O1 ZINC001464059644 1068602277 /nfs/dbraw/zinc/60/22/77/1068602277.db2.gz QSUSJRGZIDLKTK-OAHLLOKOSA-N 0 0 450.398 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1 ZINC001464061565 1068602971 /nfs/dbraw/zinc/60/29/71/1068602971.db2.gz WXQJESNRCJNPRL-SFHVURJKSA-N 0 0 457.036 4.529 20 0 JJADRN CC(C)CCN(CCC(C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001464061100 1068603008 /nfs/dbraw/zinc/60/30/08/1068603008.db2.gz DGZPBKWUYSKKJB-UHFFFAOYSA-N 0 0 456.958 4.558 20 0 JJADRN CCN(Cc1cccc(Br)c1)C(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001464065866 1068603463 /nfs/dbraw/zinc/60/34/63/1068603463.db2.gz KMLXRIRMVUNACX-SJORKVTESA-N 0 0 453.331 4.708 20 0 JJADRN O=C(NC[C@H]1CC1(Cl)Cl)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464067549 1068604238 /nfs/dbraw/zinc/60/42/38/1068604238.db2.gz SNNABBSJHPIBFN-CQSZACIVSA-N 0 0 455.267 4.877 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NC[C@H](c1ccccc1)C(C)C ZINC001464075432 1068606347 /nfs/dbraw/zinc/60/63/47/1068606347.db2.gz YTWNUEZEMNNNOA-YADHBBJMSA-N 0 0 454.615 4.933 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCN([C@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC001546144077 1068607006 /nfs/dbraw/zinc/60/70/06/1068607006.db2.gz CQBKVTAIKSRTBO-JOCHJYFZSA-N 0 0 483.701 4.965 20 0 JJADRN C[C@]12CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C[C@H]1C2(Br)Br ZINC001464075672 1068607049 /nfs/dbraw/zinc/60/70/49/1068607049.db2.gz ZPXJEJLBBDQOFR-NEPJUHHUSA-N 0 0 478.033 4.510 20 0 JJADRN Nc1c(Cl)c(Cl)ccc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001464078626 1068607628 /nfs/dbraw/zinc/60/76/28/1068607628.db2.gz IQEIZPDRAMMFJD-JTQLQIEISA-N 0 0 458.271 4.657 20 0 JJADRN CC/C(=C/C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1)c1ccc(OC)cc1 ZINC001464077689 1068607738 /nfs/dbraw/zinc/60/77/38/1068607738.db2.gz FZRVDMKIDCJOPO-ZUTYSQTGSA-N 0 0 458.484 4.956 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC001464086239 1068609644 /nfs/dbraw/zinc/60/96/44/1068609644.db2.gz DDAZMEWEOHIMIW-HNNXBMFYSA-N 0 0 456.568 4.970 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc1Cl ZINC001464091468 1068611502 /nfs/dbraw/zinc/61/15/02/1068611502.db2.gz SSUKXSGTFIIDPX-UHFFFAOYSA-N 0 0 458.805 4.721 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001464091305 1068611644 /nfs/dbraw/zinc/61/16/44/1068611644.db2.gz LVFLJHABWJHNFF-ITGUQSILSA-N 0 0 453.408 4.854 20 0 JJADRN COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1NC(=O)OC(C)(C)C ZINC001464095271 1068613277 /nfs/dbraw/zinc/61/32/77/1068613277.db2.gz QEGGJXZGPPIZLP-UHFFFAOYSA-N 0 0 453.337 4.904 20 0 JJADRN COc1nsc(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c1Br ZINC001464096341 1068613364 /nfs/dbraw/zinc/61/33/64/1068613364.db2.gz VITYARDHLHCDBK-UHFFFAOYSA-N 0 0 458.334 4.522 20 0 JJADRN COc1ccc(NC(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)cc1NC(=O)OC(C)(C)C ZINC001464095631 1068613432 /nfs/dbraw/zinc/61/34/32/1068613432.db2.gz SWYNMNRDWQZTEG-UHFFFAOYSA-N 0 0 451.405 4.585 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)s1 ZINC001464098445 1068614678 /nfs/dbraw/zinc/61/46/78/1068614678.db2.gz WQAWXZTXVQAELI-UHFFFAOYSA-N 0 0 459.568 4.503 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1I ZINC001464097910 1068614685 /nfs/dbraw/zinc/61/46/85/1068614685.db2.gz VDHVJLLLHHVJSE-LBPRGKRZSA-N 0 0 452.317 4.822 20 0 JJADRN Nc1ccc(Br)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001464100050 1068615289 /nfs/dbraw/zinc/61/52/89/1068615289.db2.gz YDFUKWBOYVTUJT-INIZCTEOSA-N 0 0 457.155 4.581 20 0 JJADRN CCc1c(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)[nH]c(C)c1C(C)=O ZINC001464103601 1068616800 /nfs/dbraw/zinc/61/68/00/1068616800.db2.gz PRCGEAUPJZMNQU-UHFFFAOYSA-N 0 0 453.583 4.914 20 0 JJADRN O=C(NCc1ccccn1)c1ccccc1OS(=O)(=O)c1sc2ccccc2c1Cl ZINC001464110526 1068618230 /nfs/dbraw/zinc/61/82/30/1068618230.db2.gz KCJDIDCBPSMRLZ-UHFFFAOYSA-N 0 0 458.948 4.647 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Cl)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001464114340 1068619452 /nfs/dbraw/zinc/61/94/52/1068619452.db2.gz XSBDLNZIIFHRMN-DNVCBOLYSA-N 0 0 463.015 4.714 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC001464113406 1068619503 /nfs/dbraw/zinc/61/95/03/1068619503.db2.gz VVPCNTTZDYHTMX-UHFFFAOYSA-N 0 0 450.526 4.953 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)cc1OCC ZINC001464112078 1068619531 /nfs/dbraw/zinc/61/95/31/1068619531.db2.gz NJALZPCZPGMLPF-QGZVFWFLSA-N 0 0 450.539 4.831 20 0 JJADRN CCc1nc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)cn1CC1CC1 ZINC001464124741 1068623709 /nfs/dbraw/zinc/62/37/09/1068623709.db2.gz SEQQIGBJYGDHAD-OAQYLSRUSA-N 0 0 455.546 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2C1 ZINC001464125637 1068624354 /nfs/dbraw/zinc/62/43/54/1068624354.db2.gz WWZVQPDBKYKRSE-UHFFFAOYSA-N 0 0 456.608 4.520 20 0 JJADRN CCCc1sc(C(=O)NCCCc2nnc(SC)n2CC(C)C)cc1Br ZINC001464130676 1068627350 /nfs/dbraw/zinc/62/73/50/1068627350.db2.gz XBDGQBPRUGGMNE-UHFFFAOYSA-N 0 0 459.479 4.795 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001464132327 1068628441 /nfs/dbraw/zinc/62/84/41/1068628441.db2.gz TWQDJBDPLBCHAB-RTBURBONSA-N 0 0 456.002 4.672 20 0 JJADRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c(C(F)(F)F)nc2ccccn21 ZINC001464133067 1068628534 /nfs/dbraw/zinc/62/85/34/1068628534.db2.gz XAYPTALDGRAZNN-HNNXBMFYSA-N 0 0 454.855 4.713 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001464136489 1068629936 /nfs/dbraw/zinc/62/99/36/1068629936.db2.gz KSBDTGKFGVVZJN-PMACEKPBSA-N 0 0 450.341 4.579 20 0 JJADRN CN(Cc1ccc(Br)o1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC001464139412 1068631064 /nfs/dbraw/zinc/63/10/64/1068631064.db2.gz YSHUMIATFOOQRG-INIZCTEOSA-N 0 0 457.752 4.920 20 0 JJADRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)s1 ZINC001464138884 1068631096 /nfs/dbraw/zinc/63/10/96/1068631096.db2.gz QFEGAKQOUHGHGK-MZNJEOGPSA-N 0 0 456.633 4.884 20 0 JJADRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)s1 ZINC001464138882 1068631195 /nfs/dbraw/zinc/63/11/95/1068631195.db2.gz QFEGAKQOUHGHGK-BXKMTCNYSA-N 0 0 456.633 4.884 20 0 JJADRN CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001464142918 1068632495 /nfs/dbraw/zinc/63/24/95/1068632495.db2.gz DKPQCQBVAWDIBT-UHFFFAOYSA-N 0 0 458.805 4.884 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)c2cc(Br)c(=O)[nH]c2C)cc1OC ZINC001464144522 1068633198 /nfs/dbraw/zinc/63/31/98/1068633198.db2.gz SHWSCJGOJAKBBY-UHFFFAOYSA-N 0 0 451.361 4.708 20 0 JJADRN Cc1ccc(NC(=O)c2cc(C(=O)c3ccccc3)c[nH]2)cc1NS(=O)(=O)c1ccccc1 ZINC001464147206 1068633818 /nfs/dbraw/zinc/63/38/18/1068633818.db2.gz QBROQGGGPLFRCA-UHFFFAOYSA-N 0 0 459.527 4.607 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC001464148472 1068633856 /nfs/dbraw/zinc/63/38/56/1068633856.db2.gz VPYUCEJIGKSHFN-UHFFFAOYSA-N 0 0 453.520 4.535 20 0 JJADRN O=C(N[C@H]1CC[C@@H](CS(=O)(=O)N2CCC[C@H](C3CCCCC3)C2)C1)OCc1ccccc1 ZINC001464149753 1068634409 /nfs/dbraw/zinc/63/44/09/1068634409.db2.gz VEHSTRJKHRRIBH-NHTMILBNSA-N 0 0 462.656 4.704 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c2ccc(Br)cc2O1 ZINC001464153808 1068635013 /nfs/dbraw/zinc/63/50/13/1068635013.db2.gz SYPOFFIZAUTMOS-ZDUSSCGKSA-N 0 0 452.370 4.654 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)cc2)n1 ZINC001464156291 1068636185 /nfs/dbraw/zinc/63/61/85/1068636185.db2.gz FZACHYUCMGBAIC-UHFFFAOYSA-N 0 0 453.518 4.940 20 0 JJADRN COc1cc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC ZINC001464158017 1068636916 /nfs/dbraw/zinc/63/69/16/1068636916.db2.gz OIVYXDZTMSZIBQ-RUZDIDTESA-N 0 0 451.494 4.720 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464160014 1068637405 /nfs/dbraw/zinc/63/74/05/1068637405.db2.gz ONPSMEFPDWANTN-NBGIEHNGSA-N 0 0 457.578 4.958 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)CSc3nccn3-c3cc(C)ccc3C)cc2)n1 ZINC001464161762 1068638360 /nfs/dbraw/zinc/63/83/60/1068638360.db2.gz ZBRHJLXXNZQJMI-UHFFFAOYSA-N 0 0 459.619 4.743 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)cc2ccncc21 ZINC001464160638 1068638422 /nfs/dbraw/zinc/63/84/22/1068638422.db2.gz BQIAXLPNKXGFRD-UHFFFAOYSA-N 0 0 457.433 4.705 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)cc1 ZINC001464162357 1068639032 /nfs/dbraw/zinc/63/90/32/1068639032.db2.gz FKOUOSFOXDKGSI-JWQCQUIFSA-N 0 0 452.639 4.735 20 0 JJADRN COc1ccc(CN2CC[C@@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163821 1068639617 /nfs/dbraw/zinc/63/96/17/1068639617.db2.gz CPAKFVYHFLPDDX-UQBPGWFLSA-N 0 0 458.562 4.791 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cn4ccc(Br)cc4n3)cn2)c1 ZINC001464166400 1068640953 /nfs/dbraw/zinc/64/09/53/1068640953.db2.gz JWECCJOAUBXSAR-UHFFFAOYSA-N 0 0 451.324 4.831 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001464167484 1068640984 /nfs/dbraw/zinc/64/09/84/1068640984.db2.gz MXQYHDROLAUWPR-HOTGVXAUSA-N 0 0 452.823 4.509 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC001464173909 1068642882 /nfs/dbraw/zinc/64/28/82/1068642882.db2.gz MPJUQWCSQARHKR-UHFFFAOYSA-N 0 0 450.704 4.512 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc2)n1 ZINC001464173645 1068642951 /nfs/dbraw/zinc/64/29/51/1068642951.db2.gz OXACBCJKMREBOF-AREMUKBSSA-N 0 0 456.631 4.725 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc4c(cccc4Br)[nH]3)c2)n1 ZINC001464174574 1068642960 /nfs/dbraw/zinc/64/29/60/1068642960.db2.gz NWPUFBCGOJBZHZ-UHFFFAOYSA-N 0 0 453.296 4.545 20 0 JJADRN O=C(Cc1cc(Br)cc(I)c1)N1CC[C@@H]1c1ccccc1 ZINC001464177402 1068643669 /nfs/dbraw/zinc/64/36/69/1068643669.db2.gz TXBPWKYECCDQGT-MRXNPFEDSA-N 0 0 456.121 4.570 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(OCc2ccccn2)cc1 ZINC001464180278 1068645648 /nfs/dbraw/zinc/64/56/48/1068645648.db2.gz KYWMUZMGQOBQMR-UHFFFAOYSA-N 0 0 459.527 4.714 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001464183069 1068646093 /nfs/dbraw/zinc/64/60/93/1068646093.db2.gz CQVKYQRNNQAXTD-KRWDZBQOSA-N 0 0 457.324 4.796 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccccc1COCc1ccccc1 ZINC001464188191 1068648310 /nfs/dbraw/zinc/64/83/10/1068648310.db2.gz JFZXXUVBMHLQFH-RBZQAINGSA-N 0 0 450.579 4.523 20 0 JJADRN CC1(C)CN(S(=O)(=O)c2scc(Br)c2Br)c2ccccc21 ZINC001464194010 1068651447 /nfs/dbraw/zinc/65/14/47/1068651447.db2.gz HENSUYKKMBGNDY-UHFFFAOYSA-N 0 0 451.205 4.760 20 0 JJADRN O=C(NCc1cccc(COCc2ccccc2)c1)c1cc(Br)cc2[nH]cnc21 ZINC001464194487 1068651452 /nfs/dbraw/zinc/65/14/52/1068651452.db2.gz SXSNETIWZVWQAT-UHFFFAOYSA-N 0 0 450.336 4.972 20 0 JJADRN COC[C@H](C)N([C@@H]1CCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Br ZINC001464196368 1068652128 /nfs/dbraw/zinc/65/21/28/1068652128.db2.gz SMJAFCVXHDJQPY-SCLBCKFNSA-N 0 0 458.805 4.816 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)NCc1ccnc(-c2ccccc2)c1 ZINC001464197407 1068652138 /nfs/dbraw/zinc/65/21/38/1068652138.db2.gz OZFLGYIFCIRLAA-UHFFFAOYSA-N 0 0 451.773 4.784 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCOc2ccc3c(c2)OCO3)cc1 ZINC001464196630 1068652290 /nfs/dbraw/zinc/65/22/90/1068652290.db2.gz WPDVSGYZRQYSNN-UHFFFAOYSA-N 0 0 452.532 4.661 20 0 JJADRN CSc1ccc([C@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)N2CCc3sccc3C2)cc1 ZINC001464199018 1068653411 /nfs/dbraw/zinc/65/34/11/1068653411.db2.gz FDBKVQAYJMYIFR-VFNWGFHPSA-N 0 0 454.665 4.829 20 0 JJADRN CSc1ccc([C@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)N2CCc3sccc3C2)cc1 ZINC001464199010 1068653528 /nfs/dbraw/zinc/65/35/28/1068653528.db2.gz FDBKVQAYJMYIFR-BTYIYWSLSA-N 0 0 454.665 4.829 20 0 JJADRN C[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C(F)F)N1CCN(c2ccccc2)CC1 ZINC001464201689 1068654853 /nfs/dbraw/zinc/65/48/53/1068654853.db2.gz SQCATJFNQPMQGM-KRWDZBQOSA-N 0 0 456.562 4.688 20 0 JJADRN CC(C)CCC(=O)NCC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC001464202796 1068655003 /nfs/dbraw/zinc/65/50/03/1068655003.db2.gz AQJWQQMMQWRERG-HSZRJFAPSA-N 0 0 455.668 4.640 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)NCCNc2ncc(Cl)cc2Cl)c1 ZINC001464203389 1068655440 /nfs/dbraw/zinc/65/54/40/1068655440.db2.gz XUGNBCBAXMQTRX-UHFFFAOYSA-N 0 0 450.395 4.511 20 0 JJADRN O=C(CCC1(O)CCC1)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC001464204657 1068656102 /nfs/dbraw/zinc/65/61/02/1068656102.db2.gz DWURCCYNDMTLMA-IBGZPJMESA-N 0 0 453.435 4.966 20 0 JJADRN COc1ccccc1NCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC001464206653 1068657443 /nfs/dbraw/zinc/65/74/43/1068657443.db2.gz MCBSWALCYJOOPM-OAQYLSRUSA-N 0 0 456.011 4.738 20 0 JJADRN O=Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 ZINC001464206646 1068657542 /nfs/dbraw/zinc/65/75/42/1068657542.db2.gz MBFZFBKGSGKLOR-JOCHJYFZSA-N 0 0 454.979 4.509 20 0 JJADRN CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001464208641 1068658787 /nfs/dbraw/zinc/65/87/87/1068658787.db2.gz UWPAXMOKYQLSMM-ICSRJNTNSA-N 0 0 451.350 4.851 20 0 JJADRN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001464208645 1068658792 /nfs/dbraw/zinc/65/87/92/1068658792.db2.gz UWPAXMOKYQLSMM-QUCCMNQESA-N 0 0 451.350 4.851 20 0 JJADRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1 ZINC001464210298 1068659348 /nfs/dbraw/zinc/65/93/48/1068659348.db2.gz KQBKFBSFLHWFEX-CQSZACIVSA-N 0 0 458.484 4.862 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)cc21 ZINC001464210631 1068659380 /nfs/dbraw/zinc/65/93/80/1068659380.db2.gz BJSCSMSFZKTBNQ-IBGZPJMESA-N 0 0 456.562 4.624 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464214889 1068660447 /nfs/dbraw/zinc/66/04/47/1068660447.db2.gz GJKPJIGUNYHYDL-YJBOKZPZSA-N 0 0 451.405 4.534 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464214886 1068660492 /nfs/dbraw/zinc/66/04/92/1068660492.db2.gz GJKPJIGUNYHYDL-QAPCUYQASA-N 0 0 451.405 4.534 20 0 JJADRN Cc1nn(C)c(NC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)c1C ZINC001464220561 1068663160 /nfs/dbraw/zinc/66/31/60/1068663160.db2.gz VTMXRPRDNYFVJP-UHFFFAOYSA-N 0 0 454.596 4.696 20 0 JJADRN CN(CC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(C(F)(F)F)cc1C=O ZINC001464222384 1068663745 /nfs/dbraw/zinc/66/37/45/1068663745.db2.gz RDMUGYHOJCVQBR-UHFFFAOYSA-N 0 0 456.468 4.793 20 0 JJADRN COc1ccc(OC(F)F)c(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 ZINC001464221979 1068663809 /nfs/dbraw/zinc/66/38/09/1068663809.db2.gz JTBPXKFUKNFTJM-UHFFFAOYSA-N 0 0 452.816 4.991 20 0 JJADRN CCCC(=O)Nc1ccc(CNC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464222378 1068663834 /nfs/dbraw/zinc/66/38/34/1068663834.db2.gz HTCNDEHARFHLRF-JOCHJYFZSA-N 0 0 453.583 4.568 20 0 JJADRN C[C@H](CN(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C1CCCCC1 ZINC001464227260 1068665669 /nfs/dbraw/zinc/66/56/69/1068665669.db2.gz HXOAGNUCCWVOHM-LSWJPFSZSA-N 0 0 450.645 4.560 20 0 JJADRN Cc1cccn2cc(-c3ccc(NC(=O)C4(F)CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12 ZINC001464233084 1068667146 /nfs/dbraw/zinc/66/71/46/1068667146.db2.gz KIJCLFLIUNQOGJ-UHFFFAOYSA-N 0 0 452.530 4.987 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC001464231335 1068667193 /nfs/dbraw/zinc/66/71/93/1068667193.db2.gz VOXDSSGXWCYJRK-ZDUSSCGKSA-N 0 0 453.427 4.618 20 0 JJADRN CCC(=O)Nc1ccc(C)c(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)c1 ZINC001464235955 1068668510 /nfs/dbraw/zinc/66/85/10/1068668510.db2.gz QJLIWBHWSAIHHD-MHZLTWQESA-N 0 0 451.386 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)CC1 ZINC001464237849 1068669058 /nfs/dbraw/zinc/66/90/58/1068669058.db2.gz OWEJBMFGVDQWAH-UHFFFAOYSA-N 0 0 454.958 4.808 20 0 JJADRN O=S(=O)(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC001464237622 1068669191 /nfs/dbraw/zinc/66/91/91/1068669191.db2.gz DPSMYHUPPYCXEV-UHFFFAOYSA-N 0 0 451.495 4.831 20 0 JJADRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2c[nH]nc2-c2ccoc2)cc1 ZINC001464239359 1068670737 /nfs/dbraw/zinc/67/07/37/1068670737.db2.gz LKQNAWWWVNRFEI-UHFFFAOYSA-N 0 0 458.518 4.706 20 0 JJADRN Cc1n[nH]c(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c1I ZINC001464241988 1068672036 /nfs/dbraw/zinc/67/20/36/1068672036.db2.gz YZXZRRWKKCQAGM-CQSZACIVSA-N 0 0 457.724 4.557 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC001464241710 1068672077 /nfs/dbraw/zinc/67/20/77/1068672077.db2.gz YHLKEMNWJNZQFM-MGPUTAFESA-N 0 0 458.534 4.741 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)/C=C/SCc3ccco3)cc2)cc1 ZINC001464242893 1068672879 /nfs/dbraw/zinc/67/28/79/1068672879.db2.gz SOUYASLXOKXKTQ-WYMLVPIESA-N 0 0 458.561 4.616 20 0 JJADRN CC(=O)Nc1cccc2c1CN(S(=O)(=O)c1ccc(Oc3ccccc3Cl)cc1)CC2 ZINC001464242322 1068672892 /nfs/dbraw/zinc/67/28/92/1068672892.db2.gz MLXCFEUPAQOYQY-UHFFFAOYSA-N 0 0 456.951 4.838 20 0 JJADRN O=S(=O)(CCCC1CCOCC1)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001464245611 1068674057 /nfs/dbraw/zinc/67/40/57/1068674057.db2.gz FEVPIHSRQPOBPD-SFHVURJKSA-N 0 0 450.826 4.776 20 0 JJADRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc(C(F)(F)F)c1 ZINC001464248019 1068674831 /nfs/dbraw/zinc/67/48/31/1068674831.db2.gz DYDIBWPRVHIQOS-UHFFFAOYSA-N 0 0 458.405 4.941 20 0 JJADRN C[C@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001464249901 1068675330 /nfs/dbraw/zinc/67/53/30/1068675330.db2.gz NCDLRLINTGRKCM-JTQLQIEISA-N 0 0 456.262 4.860 20 0 JJADRN C[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001464249904 1068675378 /nfs/dbraw/zinc/67/53/78/1068675378.db2.gz NCDLRLINTGRKCM-SNVBAGLBSA-N 0 0 456.262 4.860 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001464252296 1068675880 /nfs/dbraw/zinc/67/58/80/1068675880.db2.gz AACKYMQVSVRZTK-UHFFFAOYSA-N 0 0 453.446 4.636 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NCc1ccccc1OCc1ccccc1 ZINC001464252370 1068675917 /nfs/dbraw/zinc/67/59/17/1068675917.db2.gz GSOMKFWPGAGRJM-RUZDIDTESA-N 0 0 458.558 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC001464252853 1068676732 /nfs/dbraw/zinc/67/67/32/1068676732.db2.gz CRXCSYFCHGDRAM-NSHDSACASA-N 0 0 457.445 4.759 20 0 JJADRN CC1CCN(c2ccc(CNC(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)cn2)CC1 ZINC001464254996 1068677749 /nfs/dbraw/zinc/67/77/49/1068677749.db2.gz FWFYFGLBSMMZTK-HFZDXXHNSA-N 0 0 456.631 4.504 20 0 JJADRN CCCCOc1cccc(CNC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c1 ZINC001464259953 1068679213 /nfs/dbraw/zinc/67/92/13/1068679213.db2.gz ULEFOPJAWOUMHF-OAQYLSRUSA-N 0 0 456.587 4.564 20 0 JJADRN CC[C@]1(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 ZINC001464265071 1068681231 /nfs/dbraw/zinc/68/12/31/1068681231.db2.gz DNGHHIPAIWXJGQ-VWLOTQADSA-N 0 0 458.578 4.644 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)C(C)(C)C1 ZINC001464266882 1068682085 /nfs/dbraw/zinc/68/20/85/1068682085.db2.gz ADRDTJZWPJFPPU-QHCPKHFHSA-N 0 0 452.595 4.817 20 0 JJADRN CCN(Cc1ccccc1NC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1)C(=O)OC(C)(C)C ZINC001464271194 1068684126 /nfs/dbraw/zinc/68/41/26/1068684126.db2.gz ILQKMUOMNAWVMU-KESTWPANSA-N 0 0 453.587 4.843 20 0 JJADRN COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2cc(Br)ccc2C)cc1OC ZINC001464273570 1068684696 /nfs/dbraw/zinc/68/46/96/1068684696.db2.gz QNYYXTYXYIQTEC-UHFFFAOYSA-N 0 0 459.296 4.872 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)cc1 ZINC001464272251 1068684744 /nfs/dbraw/zinc/68/47/44/1068684744.db2.gz LASRMAREYHGTRG-QFIPXVFZSA-N 0 0 455.979 4.680 20 0 JJADRN CCCOc1ccc(Oc2ncccc2CNC(=O)c2[nH]cnc2C(=O)c2ccccc2)cc1 ZINC001464275557 1068686162 /nfs/dbraw/zinc/68/61/62/1068686162.db2.gz WKQSKHPVEVBTJS-UHFFFAOYSA-N 0 0 456.502 4.547 20 0 JJADRN CC1(c2ccc(S(=O)(=O)N3CCC[C@]3(C)c3ccc(C(F)(F)F)cc3)cc2)OCCO1 ZINC001464275594 1068686173 /nfs/dbraw/zinc/68/61/73/1068686173.db2.gz QVMCOSGYWLKSDP-HXUWFJFHSA-N 0 0 455.498 4.625 20 0 JJADRN Cc1ccc(Br)cc1NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001464274950 1068686197 /nfs/dbraw/zinc/68/61/97/1068686197.db2.gz UZAUETPSWUOTGE-NRFANRHFSA-N 0 0 453.336 4.963 20 0 JJADRN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1 ZINC001464277325 1068686867 /nfs/dbraw/zinc/68/68/67/1068686867.db2.gz CHCGSGKWQKSENN-QGZVFWFLSA-N 0 0 458.518 4.559 20 0 JJADRN CC(C)Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC001464277040 1068686925 /nfs/dbraw/zinc/68/69/25/1068686925.db2.gz AEVSJUBJCHIHPO-NRFANRHFSA-N 0 0 456.652 4.555 20 0 JJADRN COc1cc([C@H](C)NC(=O)Cc2c[nH]c3nccc(Cl)c23)ccc1OCc1ccncc1 ZINC001464278576 1068687446 /nfs/dbraw/zinc/68/74/46/1068687446.db2.gz GJHCBDXVFLIYGY-HNNXBMFYSA-N 0 0 450.926 4.619 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001464280519 1068688615 /nfs/dbraw/zinc/68/86/15/1068688615.db2.gz MLMKLMZHAXYSHL-MRXNPFEDSA-N 0 0 454.445 4.582 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001464281428 1068690215 /nfs/dbraw/zinc/69/02/15/1068690215.db2.gz IPYGPZVVETYHKL-AREMUKBSSA-N 0 0 454.615 4.895 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC001464283784 1068690753 /nfs/dbraw/zinc/69/07/53/1068690753.db2.gz ZQJVLZVASXUKSH-VQTJNVASSA-N 0 0 450.485 4.744 20 0 JJADRN Cc1cnc2cc(C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)ccn12 ZINC001464283089 1068690799 /nfs/dbraw/zinc/69/07/99/1068690799.db2.gz UXBUCSXNYNSIOT-UHFFFAOYSA-N 0 0 450.901 4.716 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC001464289097 1068692922 /nfs/dbraw/zinc/69/29/22/1068692922.db2.gz AJHVDTXIFBTZBZ-UHFFFAOYSA-N 0 0 457.518 4.956 20 0 JJADRN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001464290979 1068693357 /nfs/dbraw/zinc/69/33/57/1068693357.db2.gz BRCGOBDSUWPYIN-JYJNAYRXSA-N 0 0 459.452 4.713 20 0 JJADRN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC001464290798 1068693490 /nfs/dbraw/zinc/69/34/90/1068693490.db2.gz AWVFCIFGMCPGRH-HNNXBMFYSA-N 0 0 456.511 4.978 20 0 JJADRN COc1ccc(C(=O)Nc2ncc(Cc3ccc(Br)c(C)c3)s2)c(N)c1F ZINC001464294524 1068694726 /nfs/dbraw/zinc/69/47/26/1068694726.db2.gz OPSVXFBASGKAPE-UHFFFAOYSA-N 0 0 450.333 4.787 20 0 JJADRN Cc1cc(C(C)(C)C)c(C)cc1OS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC001464295876 1068695644 /nfs/dbraw/zinc/69/56/44/1068695644.db2.gz QPGZLBPMCNCQDZ-UHFFFAOYSA-N 0 0 453.358 4.713 20 0 JJADRN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)c1cc(-c2ccccc2O)[nH]n1 ZINC001464295317 1068695671 /nfs/dbraw/zinc/69/56/71/1068695671.db2.gz KLOWQGIKOFCVRX-UHFFFAOYSA-N 0 0 455.337 4.844 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464302665 1068698325 /nfs/dbraw/zinc/69/83/25/1068698325.db2.gz YEFNTQIMBXZHBK-MRXNPFEDSA-N 0 0 458.580 4.900 20 0 JJADRN CC[C@@H](C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)C(=O)OC ZINC001464304838 1068698932 /nfs/dbraw/zinc/69/89/32/1068698932.db2.gz GWBLFXXLSKFGLM-ZDUSSCGKSA-N 0 0 454.392 4.909 20 0 JJADRN C[C@@H](C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)N(C)C(=O)OC(C)(C)C ZINC001464305746 1068698959 /nfs/dbraw/zinc/69/89/59/1068698959.db2.gz ZDVFWIMVJWHESA-LBPRGKRZSA-N 0 0 454.390 4.690 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccccc1 ZINC001464307573 1068699620 /nfs/dbraw/zinc/69/96/20/1068699620.db2.gz WPLGVDNJVHWUCI-VWLOTQADSA-N 0 0 451.526 4.640 20 0 JJADRN COCCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 ZINC001464309249 1068700259 /nfs/dbraw/zinc/70/02/59/1068700259.db2.gz LXPQKEKOLOOXJJ-PMOQBDJRSA-N 0 0 450.579 4.743 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1c(O)cnc2c(Br)cccc21 ZINC001464310134 1068700643 /nfs/dbraw/zinc/70/06/43/1068700643.db2.gz DJPLKLVIPMTGIC-UHFFFAOYSA-N 0 0 454.324 4.581 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1)OCC(F)(F)F ZINC001464309949 1068700858 /nfs/dbraw/zinc/70/08/58/1068700858.db2.gz KQZUJTPKJDPIMP-UHFFFAOYSA-N 0 0 454.792 4.594 20 0 JJADRN O=C(CNS(=O)(=O)Cc1cccc(Cl)c1Br)c1cc2ccccc2s1 ZINC001464310525 1068700906 /nfs/dbraw/zinc/70/09/06/1068700906.db2.gz DKRTYEWUWNIQJB-UHFFFAOYSA-N 0 0 458.786 4.620 20 0 JJADRN COC(=O)c1sccc1C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC001464316020 1068702118 /nfs/dbraw/zinc/70/21/18/1068702118.db2.gz HNFFYCYJBQURAW-UHFFFAOYSA-N 0 0 451.367 4.905 20 0 JJADRN CCCOc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)cc1Cl ZINC001464318725 1068703804 /nfs/dbraw/zinc/70/38/04/1068703804.db2.gz FYEXIUFJSYIKBP-UHFFFAOYSA-N 0 0 458.946 4.725 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)N1CCC[C@H]1c1cccc(Br)c1 ZINC001464319649 1068704213 /nfs/dbraw/zinc/70/42/13/1068704213.db2.gz SQNMIDXMCLLHPF-NRFANRHFSA-N 0 0 457.368 4.857 20 0 JJADRN Cc1csc(Sc2ccc(NC(=O)[C@@H](C)N3CCN(c4ccc(F)cc4)CC3)cc2)n1 ZINC001464319860 1068704269 /nfs/dbraw/zinc/70/42/69/1068704269.db2.gz JPHYTGXKOWLWCO-QGZVFWFLSA-N 0 0 456.612 4.891 20 0 JJADRN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)NC1(c2ccc(Br)cc2)CC1 ZINC001464320070 1068704301 /nfs/dbraw/zinc/70/43/01/1068704301.db2.gz BHCUKLQIWYPKTM-UHFFFAOYSA-N 0 0 458.381 4.527 20 0 JJADRN CCOc1ccc(Oc2cc(CNC(=O)c3cc(=O)c4ccc(Cl)cc4o3)ccn2)cc1 ZINC001464321110 1068704565 /nfs/dbraw/zinc/70/45/65/1068704565.db2.gz OREPFNSBLJBEAE-UHFFFAOYSA-N 0 0 450.878 4.962 20 0 JJADRN C[C@H]1CN(c2ccccc2NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC001464321803 1068705162 /nfs/dbraw/zinc/70/51/62/1068705162.db2.gz QSCQHKQGVQBHCR-ROUUACIJSA-N 0 0 451.567 4.850 20 0 JJADRN O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC001464322221 1068705281 /nfs/dbraw/zinc/70/52/81/1068705281.db2.gz PXPFOYYGTRKMMT-UHFFFAOYSA-N 0 0 454.368 4.902 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4cnco4)cc3)c(O)c2)c1 ZINC001464323500 1068705712 /nfs/dbraw/zinc/70/57/12/1068705712.db2.gz UDKOINHKHPAQRZ-UHFFFAOYSA-N 0 0 459.458 4.569 20 0 JJADRN COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc3ccc(O)cc3c2O)c1 ZINC001464324513 1068706188 /nfs/dbraw/zinc/70/61/88/1068706188.db2.gz ZKDLEYKPRACMIG-UHFFFAOYSA-N 0 0 458.470 4.529 20 0 JJADRN Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)C2)cc1 ZINC001464325739 1068706348 /nfs/dbraw/zinc/70/63/48/1068706348.db2.gz FDCXCURPESBUIF-NRFANRHFSA-N 0 0 456.995 4.994 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CCCO[C@H]3c3ccc(Cl)cc3)ccc2s1 ZINC001464325888 1068706776 /nfs/dbraw/zinc/70/67/76/1068706776.db2.gz FRUXEWHEMUVULN-NQIIRXRSSA-N 0 0 480.007 4.930 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001464326280 1068706863 /nfs/dbraw/zinc/70/68/63/1068706863.db2.gz ITBBSEIKNOAXQV-MJGOQNOKSA-N 0 0 458.805 4.688 20 0 JJADRN C[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(OCc2ccccn2)c1 ZINC001464328242 1068708059 /nfs/dbraw/zinc/70/80/59/1068708059.db2.gz PSCOGKDJEHUGRO-IBGZPJMESA-N 0 0 451.567 4.795 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 ZINC001464329894 1068708430 /nfs/dbraw/zinc/70/84/30/1068708430.db2.gz ICTOOMDWJMCPIB-YRKFHGTDSA-N 0 0 454.611 4.585 20 0 JJADRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CCCCN3Cc3ccncc3)c2)c1 ZINC001464331043 1068708633 /nfs/dbraw/zinc/70/86/33/1068708633.db2.gz PWOIHCYLGZQUKE-RUZDIDTESA-N 0 0 457.578 4.705 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1 ZINC001464333730 1068709607 /nfs/dbraw/zinc/70/96/07/1068709607.db2.gz DVADAHYJBQXGPO-HNNXBMFYSA-N 0 0 453.391 4.740 20 0 JJADRN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001464334512 1068710232 /nfs/dbraw/zinc/71/02/32/1068710232.db2.gz MRKUXJFAJGBWBE-NRFANRHFSA-N 0 0 451.544 4.661 20 0 JJADRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC001464337589 1068711106 /nfs/dbraw/zinc/71/11/06/1068711106.db2.gz RQPQQGYUUZSUFL-DEOSSOPVSA-N 0 0 450.966 4.609 20 0 JJADRN CC1CCN(C(=O)C2CCN(C(=O)C(C)(C)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001464337927 1068711860 /nfs/dbraw/zinc/71/18/60/1068711860.db2.gz UNNFHZGOAODAJH-FQEVSTJZSA-N 0 0 455.426 4.550 20 0 JJADRN CCCC(O)(CCC)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC001464342246 1068712735 /nfs/dbraw/zinc/71/27/35/1068712735.db2.gz VISIELAHVDOMCD-UHFFFAOYSA-N 0 0 456.967 4.940 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC001464342093 1068712802 /nfs/dbraw/zinc/71/28/02/1068712802.db2.gz RMXGGGPCLXRDTG-OAHLLOKOSA-N 0 0 456.377 4.696 20 0 JJADRN COC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1cccc(Br)c1 ZINC001464341442 1068712986 /nfs/dbraw/zinc/71/29/86/1068712986.db2.gz JJJXDYDHHVZPLN-SFHVURJKSA-N 0 0 456.402 4.556 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC001464343913 1068713194 /nfs/dbraw/zinc/71/31/94/1068713194.db2.gz SETPVFVBJSSXNW-JOCHJYFZSA-N 0 0 454.636 4.735 20 0 JJADRN Cc1nccn1-c1ccc(CNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)cn1 ZINC001464342902 1068713277 /nfs/dbraw/zinc/71/32/77/1068713277.db2.gz NCIBJPCQVQNMIV-FQEVSTJZSA-N 0 0 455.400 4.859 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001464344012 1068713336 /nfs/dbraw/zinc/71/33/36/1068713336.db2.gz SQWLAJHZRFTMJF-UHFFFAOYSA-N 0 0 452.595 4.872 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)CCCOc2cccc(Cl)c2)cs1 ZINC001464343559 1068713353 /nfs/dbraw/zinc/71/33/53/1068713353.db2.gz PJPBNNJEYJAANL-AWEZNQCLSA-N 0 0 453.992 4.923 20 0 JJADRN O=S(=O)(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1 ZINC001464343322 1068713600 /nfs/dbraw/zinc/71/36/00/1068713600.db2.gz WCCRRKWEQBZNBR-BXKDBHETSA-N 0 0 452.214 4.643 20 0 JJADRN COc1cccc(C[C@H]2CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 ZINC001464349699 1068715098 /nfs/dbraw/zinc/71/50/98/1068715098.db2.gz WKRLXFNSBCCCQU-QPPBQGQZSA-N 0 0 450.579 4.763 20 0 JJADRN CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(Br)c(Br)[nH]1 ZINC001464350488 1068715674 /nfs/dbraw/zinc/71/56/74/1068715674.db2.gz XMWXTTVAWREIHG-UHFFFAOYSA-N 0 0 450.558 4.734 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](Cc2cccnc2)C2CCCC2)c(Br)c1 ZINC001464350619 1068715715 /nfs/dbraw/zinc/71/57/15/1068715715.db2.gz UDMFXROOMJRFQN-GOSISDBHSA-N 0 0 457.821 4.886 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)cc1C ZINC001464351993 1068716412 /nfs/dbraw/zinc/71/64/12/1068716412.db2.gz UHQBPGGMTZVWNO-LBPRGKRZSA-N 0 0 457.365 4.791 20 0 JJADRN Cc1nc(-c2cccc(NC(=O)c3cc(Nc4nccc(C(F)(F)F)n4)ccc3C)c2)n[nH]1 ZINC001464353844 1068717157 /nfs/dbraw/zinc/71/71/57/1068717157.db2.gz GTTGZJFYJAVFET-UHFFFAOYSA-N 0 0 453.428 4.893 20 0 JJADRN Cc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)N2CCOCC2)cc1 ZINC001464354722 1068717270 /nfs/dbraw/zinc/71/72/70/1068717270.db2.gz MHOKJFIUGAEVLQ-HHHXNRCGSA-N 0 0 456.586 4.646 20 0 JJADRN Cc1cc(CN(C)C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)cc(C)c1OCC(F)(F)F ZINC001464355585 1068717329 /nfs/dbraw/zinc/71/73/29/1068717329.db2.gz FXGHCRLBEBTNOH-UHFFFAOYSA-N 0 0 458.521 4.850 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3OC(C)C)cc2)c1 ZINC001464358545 1068718364 /nfs/dbraw/zinc/71/83/64/1068718364.db2.gz CILLLSABZISLMH-UHFFFAOYSA-N 0 0 452.576 4.821 20 0 JJADRN Cc1cc(CN(C)C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc(C)c1OCC(F)(F)F ZINC001464360601 1068719063 /nfs/dbraw/zinc/71/90/63/1068719063.db2.gz RLABYNVKYCUIRG-SFHVURJKSA-N 0 0 458.521 4.993 20 0 JJADRN O=C(c1cc(S(=O)(=O)NC(C2CCCCC2)C2CCCCC2)ccc1F)N1CCCC1 ZINC001464363570 1068720048 /nfs/dbraw/zinc/72/00/48/1068720048.db2.gz ZKDAKJUKJPQGKY-UHFFFAOYSA-N 0 0 450.620 4.869 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001464368807 1068720452 /nfs/dbraw/zinc/72/04/52/1068720452.db2.gz DRRASIPYGYOAFP-UHFFFAOYSA-N 0 0 452.292 4.690 20 0 JJADRN Cc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cnn1-c1cccc(Br)c1 ZINC001464368800 1068721086 /nfs/dbraw/zinc/72/10/86/1068721086.db2.gz GAAOBQDNDBKSFN-UHFFFAOYSA-N 0 0 459.369 4.807 20 0 JJADRN O=C(CCOc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001464374178 1068723014 /nfs/dbraw/zinc/72/30/14/1068723014.db2.gz NPPKBNLGVIICDL-UHFFFAOYSA-N 0 0 459.732 4.539 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC001464378953 1068724054 /nfs/dbraw/zinc/72/40/54/1068724054.db2.gz SIJFKEQIAACJDV-IERDGZPVSA-N 0 0 454.571 4.585 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001464378073 1068724064 /nfs/dbraw/zinc/72/40/64/1068724064.db2.gz TWSNRZNUEHDLED-UHFFFAOYSA-N 0 0 453.468 4.599 20 0 JJADRN COc1ccccc1Nc1ccccc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001464377712 1068724143 /nfs/dbraw/zinc/72/41/43/1068724143.db2.gz GWNHTLDOYBZZAA-CALCHBBNSA-N 0 0 452.580 4.757 20 0 JJADRN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1 ZINC001464379740 1068724598 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AQRBFTXJSMUVEO-CUWPLCDZSA-N 0 0 457.615 4.888 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)N(Cc3cccc(Br)c3)C3CC3)n[nH]2)cc1 ZINC001464593344 1068793790 /nfs/dbraw/zinc/79/37/90/1068793790.db2.gz BPRCOJMEKLMQAI-UHFFFAOYSA-N 0 0 457.397 4.826 20 0 JJADRN O=C(/C=C\c1ccc[nH]1)Nc1ccccc1NC(=O)c1ccccc1I ZINC001464595923 1068794212 /nfs/dbraw/zinc/79/42/12/1068794212.db2.gz HFDZDYSTHQLQBX-QXMHVHEDSA-N 0 0 457.271 4.524 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/c3csc(C(F)(F)F)c3)CC2)cc1 ZINC001464597421 1068794834 /nfs/dbraw/zinc/79/48/34/1068794834.db2.gz GGERBIMALLDGIX-FPYGCLRLSA-N 0 0 452.498 4.600 20 0 JJADRN CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3NCc3ccccc3)CC2)cc1 ZINC001464598885 1068795402 /nfs/dbraw/zinc/79/54/02/1068795402.db2.gz JDYCRZGYMIRYIX-UHFFFAOYSA-N 0 0 457.574 4.732 20 0 JJADRN CCS(=O)(=O)NCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@H]12 ZINC001464601205 1068795916 /nfs/dbraw/zinc/79/59/16/1068795916.db2.gz CJRDMVCHEUDPSG-WMMXXEOUSA-N 0 0 450.689 4.567 20 0 JJADRN O=S(=O)(c1csc2ccc(Cl)cc21)N1CCC[C@H]1c1ncc(Br)cn1 ZINC001464602875 1068796417 /nfs/dbraw/zinc/79/64/17/1068796417.db2.gz PPERTALQUMABRK-ZDUSSCGKSA-N 0 0 458.790 4.633 20 0 JJADRN CC(C)CN(Cc1ccccn1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001464604852 1068796963 /nfs/dbraw/zinc/79/69/63/1068796963.db2.gz YZGQABQPXQNQOJ-UHFFFAOYSA-N 0 0 451.308 4.710 20 0 JJADRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464610421 1068798074 /nfs/dbraw/zinc/79/80/74/1068798074.db2.gz DPNUFLZPOZNDFT-SCTDSRPQSA-N 0 0 452.295 4.754 20 0 JJADRN Cc1nc(CCC(=O)N2CCO[C@@H](c3ccccc3Br)C2)oc1-c1ccccc1 ZINC001464616538 1068800104 /nfs/dbraw/zinc/80/01/04/1068800104.db2.gz UAUWWLWFVBOQME-HXUWFJFHSA-N 0 0 455.352 4.945 20 0 JJADRN C[C@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCOc2ccccc21 ZINC001464616096 1068800262 /nfs/dbraw/zinc/80/02/62/1068800262.db2.gz DZDHDKWKKNZBET-INIZCTEOSA-N 0 0 451.169 4.732 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCCC1 ZINC001546148242 1068801810 /nfs/dbraw/zinc/80/18/10/1068801810.db2.gz JQRZUNRIFDMONF-HXUWFJFHSA-N 0 0 455.622 4.672 20 0 JJADRN CCCc1ccccc1S(=O)(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001464623582 1068802102 /nfs/dbraw/zinc/80/21/02/1068802102.db2.gz RVIOSSLRGLOYRI-IVHGUIJPSA-N 0 0 458.624 4.543 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)Cc2ccccc2C1 ZINC001464621172 1068802139 /nfs/dbraw/zinc/80/21/39/1068802139.db2.gz SHUXGJPHOYEGTG-UHFFFAOYSA-N 0 0 452.570 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OCCC(F)(F)F)c2ccccc21 ZINC001464624766 1068802439 /nfs/dbraw/zinc/80/24/39/1068802439.db2.gz OGRBZHBHAXBXBD-HZPDHXFCSA-N 0 0 458.477 4.705 20 0 JJADRN Cc1csc(C[C@@H]2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C2)n1 ZINC001464624844 1068802490 /nfs/dbraw/zinc/80/24/90/1068802490.db2.gz XUHHZUOSLGELFE-AWEZNQCLSA-N 0 0 451.411 4.621 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)C1 ZINC001464625063 1068802584 /nfs/dbraw/zinc/80/25/84/1068802584.db2.gz GYGAIHGFVXJQMJ-TZIWHRDSSA-N 0 0 456.656 4.631 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC001464627901 1068802968 /nfs/dbraw/zinc/80/29/68/1068802968.db2.gz KUMYTFYCWNCGJS-HZPDHXFCSA-N 0 0 455.462 4.863 20 0 JJADRN C[C@@]1(c2ccc(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001464626077 1068803029 /nfs/dbraw/zinc/80/30/29/1068803029.db2.gz NCWKBEHZVBUKDV-QHCPKHFHSA-N 0 0 451.935 4.798 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C)c(N2CCOCC2)c1 ZINC001464631084 1068804428 /nfs/dbraw/zinc/80/44/28/1068804428.db2.gz NVOWLKGJSFNDKN-HXUWFJFHSA-N 0 0 459.384 4.580 20 0 JJADRN O=C(Nc1ccccc1NCC(F)(F)F)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001464634683 1068805280 /nfs/dbraw/zinc/80/52/80/1068805280.db2.gz DHYMGBAUGTUGPD-JOCHJYFZSA-N 0 0 453.464 4.867 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC001464633846 1068805740 /nfs/dbraw/zinc/80/57/40/1068805740.db2.gz XXCLYJZYMDGERW-GOSISDBHSA-N 0 0 453.546 4.885 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001464638332 1068807321 /nfs/dbraw/zinc/80/73/21/1068807321.db2.gz WGWMZOZYZFMGOX-UHFFFAOYSA-N 0 0 456.558 4.589 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CC=C(C(F)(F)F)CC2)CCOCC1 ZINC001546148350 1068807654 /nfs/dbraw/zinc/80/76/54/1068807654.db2.gz NHEYADYPRXQOTD-UHFFFAOYSA-N 0 0 464.532 4.783 20 0 JJADRN COc1ccc(C(=O)CCCCC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC001464640298 1068807847 /nfs/dbraw/zinc/80/78/47/1068807847.db2.gz SZMYXPGBRBIJMX-UHFFFAOYSA-N 0 0 457.328 4.625 20 0 JJADRN C[C@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)N1CCc2ccccc21 ZINC001464640099 1068807960 /nfs/dbraw/zinc/80/79/60/1068807960.db2.gz LSQASVQVZVJMKC-MRXNPFEDSA-N 0 0 452.352 4.817 20 0 JJADRN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC001464641723 1068808696 /nfs/dbraw/zinc/80/86/96/1068808696.db2.gz RDQWPPCGBMLHJZ-UHFFFAOYSA-N 0 0 454.727 4.668 20 0 JJADRN Cc1nn2cc(S(=O)(=O)Oc3ccc(SC(F)(F)F)cc3Cl)cnc2c1Cl ZINC001464645468 1068809822 /nfs/dbraw/zinc/80/98/22/1068809822.db2.gz NWKWLYHVQWBWJI-UHFFFAOYSA-N 0 0 458.270 4.724 20 0 JJADRN CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC001464646081 1068809856 /nfs/dbraw/zinc/80/98/56/1068809856.db2.gz WIGIOWGUMSWHMB-INIZCTEOSA-N 0 0 453.402 4.867 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001464646694 1068810366 /nfs/dbraw/zinc/81/03/66/1068810366.db2.gz CFPVKBCCQMGFTR-LJQANCHMSA-N 0 0 454.018 4.711 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001464651030 1068811352 /nfs/dbraw/zinc/81/13/52/1068811352.db2.gz FCKZKDBURCJLNJ-NRFANRHFSA-N 0 0 455.558 4.706 20 0 JJADRN C[C@H](CNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC001464652182 1068811980 /nfs/dbraw/zinc/81/19/80/1068811980.db2.gz CNPFMURTGZTJLW-IVZQSRNASA-N 0 0 453.341 4.964 20 0 JJADRN C[C@@H](CNC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1c(Cl)cccc1Cl ZINC001464653937 1068812570 /nfs/dbraw/zinc/81/25/70/1068812570.db2.gz JAHOLAPMVOGKFJ-ZDUSSCGKSA-N 0 0 455.386 4.926 20 0 JJADRN Cc1ccc(-c2nc(CCNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)co2)cc1 ZINC001464654249 1068813414 /nfs/dbraw/zinc/81/34/14/1068813414.db2.gz QYOHTDSHPUDSFV-OAQYLSRUSA-N 0 0 453.583 4.736 20 0 JJADRN CCc1cccc2c1OCC[C@H]2NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001464658425 1068814231 /nfs/dbraw/zinc/81/42/31/1068814231.db2.gz QIYHYUDARFXIKW-VFNWGFHPSA-N 0 0 450.482 4.639 20 0 JJADRN CCc1cccc2c1OCC[C@H]2NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001464658422 1068814295 /nfs/dbraw/zinc/81/42/95/1068814295.db2.gz QIYHYUDARFXIKW-QVKFZJNVSA-N 0 0 450.482 4.639 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CCN(C(=O)Nc4cccc(C)c4)CC3)c2)c1 ZINC001464658358 1068814345 /nfs/dbraw/zinc/81/43/45/1068814345.db2.gz VMKICNOOUQBEAB-UHFFFAOYSA-N 0 0 457.574 4.801 20 0 JJADRN O=C(C[C@@H]1CCCS1(=O)=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 ZINC001464659833 1068814957 /nfs/dbraw/zinc/81/49/57/1068814957.db2.gz DWRLTBMDAYLMEM-HNNXBMFYSA-N 0 0 458.527 4.536 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1Oc1ccccc1 ZINC001464660540 1068815320 /nfs/dbraw/zinc/81/53/20/1068815320.db2.gz MVVNNMROTNBNKR-SFHVURJKSA-N 0 0 450.560 4.658 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3c(ccc(Br)c3F)[nH]2)C1 ZINC001464661473 1068815610 /nfs/dbraw/zinc/81/56/10/1068815610.db2.gz XKIMGQZEAIJYTK-GFCCVEGCSA-N 0 0 454.340 4.541 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001546148528 1068816076 /nfs/dbraw/zinc/81/60/76/1068816076.db2.gz UUWLEHAUQSYIIH-UHFFFAOYSA-N 0 0 453.631 4.672 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC001464663801 1068816691 /nfs/dbraw/zinc/81/66/91/1068816691.db2.gz LLYCELSORIIATJ-UHFFFAOYSA-N 0 0 454.958 4.727 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cs1 ZINC001464665874 1068817148 /nfs/dbraw/zinc/81/71/48/1068817148.db2.gz FVUJCOJBNUODOH-QGZVFWFLSA-N 0 0 452.555 4.932 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)cc2s1 ZINC001464667630 1068817684 /nfs/dbraw/zinc/81/76/84/1068817684.db2.gz QMPKIDFCCNYODN-AWEZNQCLSA-N 0 0 452.646 4.676 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)C1)Nc1cccc(F)c1 ZINC001464668207 1068817936 /nfs/dbraw/zinc/81/79/36/1068817936.db2.gz JWAVXHAKZVVBLN-CYBMUJFWSA-N 0 0 455.864 4.754 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3ccc(C=O)cc3)cc2)c(F)cc1F ZINC001464669067 1068818545 /nfs/dbraw/zinc/81/85/45/1068818545.db2.gz YVRITPVYFYNEJL-UHFFFAOYSA-N 0 0 458.486 4.848 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001464672652 1068819641 /nfs/dbraw/zinc/81/96/41/1068819641.db2.gz FHVQSDJSARKGEO-JOCHJYFZSA-N 0 0 453.583 4.912 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)s1 ZINC001464672138 1068819824 /nfs/dbraw/zinc/81/98/24/1068819824.db2.gz QSFLGGGDJWIBFZ-UHFFFAOYSA-N 0 0 452.584 4.862 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001464672952 1068819842 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ZYDRALCGMQZETJ-UHFFFAOYSA-N 0 0 457.022 4.871 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464677510 1068821844 /nfs/dbraw/zinc/82/18/44/1068821844.db2.gz SMFSTONOUQZMJM-SFHVURJKSA-N 0 0 453.583 4.608 20 0 JJADRN C[C@H](NC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464679741 1068822490 /nfs/dbraw/zinc/82/24/90/1068822490.db2.gz YHCZMSKDJVVKIQ-URLQWDBASA-N 0 0 454.489 4.545 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1C ZINC001464680102 1068822672 /nfs/dbraw/zinc/82/26/72/1068822672.db2.gz AHFVPUXBRPFCPU-UHFFFAOYSA-N 0 0 456.999 4.688 20 0 JJADRN CCCN(C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001464682258 1068823761 /nfs/dbraw/zinc/82/37/61/1068823761.db2.gz XZMWLQCAPAARGT-RBBKRZOGSA-N 0 0 471.642 4.613 20 0 JJADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cc2)C1 ZINC001464685032 1068824261 /nfs/dbraw/zinc/82/42/61/1068824261.db2.gz JPKASKXFVWXBCU-FQEVSTJZSA-N 0 0 454.014 4.674 20 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/nfs/dbraw/zinc/29/50/59/719295059.db2.gz AGXKFYMGJWCBEE-BJLQDIEVSA-N 0 0 478.952 4.751 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164651219 719295264 /nfs/dbraw/zinc/29/52/64/719295264.db2.gz LEFRCAABQOTAAC-UXLLHSPISA-N 0 0 463.834 4.647 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164652510 719295567 /nfs/dbraw/zinc/29/55/67/719295567.db2.gz NFZDLNIRQUYDFM-BDTNDASRSA-N 0 0 472.923 4.690 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164650560 719295698 /nfs/dbraw/zinc/29/56/98/719295698.db2.gz JEAAYSHMZLACPI-VSKRKVRLSA-N 0 0 490.913 4.829 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)Oc4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3O2)n1 ZINC001164648921 719299325 /nfs/dbraw/zinc/29/93/25/719299325.db2.gz GJYWCHQHWMWMGF-NEWSRXKRSA-N 0 0 462.884 4.875 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)cnc2Cl)c1 ZINC001164649612 719306099 /nfs/dbraw/zinc/30/60/99/719306099.db2.gz VETNAZUXBRMBLW-HARLFGEKSA-N 0 0 475.967 4.862 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)cnc2Cl)c1 ZINC001164646275 719306113 /nfs/dbraw/zinc/30/61/13/719306113.db2.gz DELCHUXTWHOBTQ-JWNTYJGQSA-N 0 0 491.966 4.562 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164648753 719311714 /nfs/dbraw/zinc/31/17/14/719311714.db2.gz LDHMSXJPGWXJFJ-UHFFFAOYSA-N 0 0 469.367 4.883 20 0 JJADRN COc1cccc(-c2nc3ccccc3c(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)n2)c1 ZINC001164650971 719316569 /nfs/dbraw/zinc/31/65/69/719316569.db2.gz GKEWDSWCBAWCTK-UHFFFAOYSA-N 0 0 456.594 4.707 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164652002 719316599 /nfs/dbraw/zinc/31/65/99/719316599.db2.gz LGUFKNUAOLIYQP-UHFFFAOYSA-N 0 0 476.650 4.906 20 0 JJADRN O=S1(=O)c2ccccc2[C@]2(CCN(C(F)(F)c3ccnc(Cl)c3)C2)N1Cc1ccccc1 ZINC001164652680 719322605 /nfs/dbraw/zinc/32/26/05/719322605.db2.gz KSMVNNGVDWTOJF-JOCHJYFZSA-N 0 0 475.948 4.590 20 0 JJADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164653151 719323128 /nfs/dbraw/zinc/32/31/28/719323128.db2.gz GKZQDQXETYLFFM-UHFFFAOYSA-N 0 0 459.928 4.732 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)CC4CC4)C3)c(Cl)nn2)c1 ZINC001164655168 719326742 /nfs/dbraw/zinc/32/67/42/719326742.db2.gz OQKISYCETHUYJK-HARLFGEKSA-N 0 0 490.982 4.550 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)c(Cl)nn2)c1 ZINC001164655156 719326909 /nfs/dbraw/zinc/32/69/09/719326909.db2.gz OQKISYCETHUYJK-AVCGJXAMSA-N 0 0 490.982 4.550 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)nc12 ZINC001164663600 719342584 /nfs/dbraw/zinc/34/25/84/719342584.db2.gz YSAMIKKNYTVDFV-LMMKCTJWSA-N 0 0 455.908 4.910 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164664470 719347738 /nfs/dbraw/zinc/34/77/38/719347738.db2.gz VAFGVLYXBVBREW-UHFFFAOYSA-N 0 0 466.589 4.964 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164664511 719348149 /nfs/dbraw/zinc/34/81/49/719348149.db2.gz WQPAWYPVLJKAEX-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164662862 719348925 /nfs/dbraw/zinc/34/89/25/719348925.db2.gz ALOBKTMSAJNDPV-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164664484 719348986 /nfs/dbraw/zinc/34/89/86/719348986.db2.gz VLVUNZNCZSSJKP-UHFFFAOYSA-N 0 0 458.997 4.978 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164663127 719350679 /nfs/dbraw/zinc/35/06/79/719350679.db2.gz FCSXTBSEJGMJSR-HSZRJFAPSA-N 0 0 455.965 4.557 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164659807 719352398 /nfs/dbraw/zinc/35/23/98/719352398.db2.gz SECWPWVXFRJBAB-UHFFFAOYSA-N 0 0 493.659 4.904 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164660533 719353278 /nfs/dbraw/zinc/35/32/78/719353278.db2.gz UTEVTIWQHZOKJI-UHFFFAOYSA-N 0 0 481.600 4.716 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164658947 719354614 /nfs/dbraw/zinc/35/46/14/719354614.db2.gz MPEZWCGUILXBHT-UHFFFAOYSA-N 0 0 468.580 4.977 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164664918 719356100 /nfs/dbraw/zinc/35/61/00/719356100.db2.gz SFQIWHFAEZDUCR-UHFFFAOYSA-N 0 0 481.579 4.945 20 0 JJADRN CCCSc1ncnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)c1OC ZINC001164663839 719356221 /nfs/dbraw/zinc/35/62/21/719356221.db2.gz HJJBUVFGBGEZON-UHFFFAOYSA-N 0 0 478.666 4.682 20 0 JJADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164663003 719362327 /nfs/dbraw/zinc/36/23/27/719362327.db2.gz HAVANYWIQPDREK-HNNXBMFYSA-N 0 0 484.938 4.857 20 0 JJADRN CCOC[C@@H]1CN(c2nc(CN3CCCC3)nc3sc(C)c(C)c32)Cc2nn(CC3CC3)cc21 ZINC001164664785 719363687 /nfs/dbraw/zinc/36/36/87/719363687.db2.gz RMYOLERIRCIGRY-FQEVSTJZSA-N 0 0 480.682 4.651 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cc1 ZINC001164668392 719494428 /nfs/dbraw/zinc/49/44/28/719494428.db2.gz PHZMDVUKTVOCBH-UHFFFAOYSA-N 0 0 460.327 4.944 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc4cc(F)c(F)cc4nc2Cl)CC3)cc1 ZINC001164674417 719504961 /nfs/dbraw/zinc/50/49/61/719504961.db2.gz WWVQRJKUOZEZIN-UHFFFAOYSA-N 0 0 462.903 4.572 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4[nH]c5ccc(Cl)cc5c42)CC3)cc1 ZINC001164671683 719519079 /nfs/dbraw/zinc/51/90/79/719519079.db2.gz HEAULKXXPLLOQX-UHFFFAOYSA-N 0 0 465.960 4.775 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)CC3)cc1 ZINC001164678969 719528027 /nfs/dbraw/zinc/52/80/27/719528027.db2.gz PPPBTVJSTNLPEI-UHFFFAOYSA-N 0 0 491.592 4.871 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2cc(SCc4ccccc4)ncn2)CC3)cc1 ZINC001164679286 719528983 /nfs/dbraw/zinc/52/89/83/719528983.db2.gz XAJSKZOMZSIKFW-UHFFFAOYSA-N 0 0 464.610 4.779 20 0 JJADRN Fc1ccc(CN2CCOCC23CCN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)cc1 ZINC001164677401 719529348 /nfs/dbraw/zinc/52/93/48/719529348.db2.gz DPCNOUMDQMYWLC-UHFFFAOYSA-N 0 0 460.475 4.717 20 0 JJADRN Cc1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1-c1ccccc1F ZINC001164677001 719531466 /nfs/dbraw/zinc/53/14/66/719531466.db2.gz ABTZXSZHLDOHCY-UHFFFAOYSA-N 0 0 450.533 4.602 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C1)N1CCCC1 ZINC001164679283 719544472 /nfs/dbraw/zinc/54/44/72/719544472.db2.gz WZVZZPHWJHXXKX-HBGVWJBISA-N 0 0 479.930 4.692 20 0 JJADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C1)N1CCCC1 ZINC001164678088 719547385 /nfs/dbraw/zinc/54/73/85/719547385.db2.gz IUFHIHAVJYXIFB-UIFIKXQLSA-N 0 0 467.988 4.934 20 0 JJADRN O=C([C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC12CCOCC2)N1CC=CC1 ZINC001164677472 719560588 /nfs/dbraw/zinc/56/05/88/719560588.db2.gz NYWLALUNOGWLNM-NRFANRHFSA-N 0 0 491.941 4.717 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)cs1 ZINC001164687036 719594706 /nfs/dbraw/zinc/59/47/06/719594706.db2.gz QFBHIKOASGMTEZ-UHFFFAOYSA-N 0 0 477.968 4.755 20 0 JJADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CC3)cs1 ZINC001164688477 719594745 /nfs/dbraw/zinc/59/47/45/719594745.db2.gz WSLUHSLWANATSW-UHFFFAOYSA-N 0 0 466.985 4.782 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C[C@H]2COc1cccnc1 ZINC001164684837 719596413 /nfs/dbraw/zinc/59/64/13/719596413.db2.gz KFNRRPIBZOWERW-INIZCTEOSA-N 0 0 455.896 4.744 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4c(cnn4C)[C@@H](COc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164685856 719599641 /nfs/dbraw/zinc/59/96/41/719599641.db2.gz MUVBGWRIRRKUHY-GOSISDBHSA-N 0 0 496.949 4.962 20 0 JJADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C[C@@H]2COc1cccnc1 ZINC001164687072 719600770 /nfs/dbraw/zinc/60/07/70/719600770.db2.gz QPAIRYYSQNUZFW-MRXNPFEDSA-N 0 0 473.955 4.860 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164686456 719685469 /nfs/dbraw/zinc/68/54/69/719685469.db2.gz MVRBAMNUWCTFPU-UHFFFAOYSA-N 0 0 491.329 4.715 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)N1Cc1cccnc1 ZINC001164690956 719767243 /nfs/dbraw/zinc/76/72/43/719767243.db2.gz JHXCIVVOMYLASG-IRXDYDNUSA-N 0 0 498.748 4.910 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)N1Cc1cccnc1 ZINC001164690676 719775391 /nfs/dbraw/zinc/77/53/91/719775391.db2.gz GWCORAKLTLWEAI-RTWAWAEBSA-N 0 0 472.898 4.861 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)c1 ZINC001164692835 719777140 /nfs/dbraw/zinc/77/71/40/719777140.db2.gz VXSNNTYLCPTMTG-YADHBBJMSA-N 0 0 484.934 4.730 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cnc2Cl)c1 ZINC001164692831 719777164 /nfs/dbraw/zinc/77/71/64/719777164.db2.gz VXSNNTYLCPTMTG-VXKWHMMOSA-N 0 0 484.934 4.730 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCc3ncnc(OC(C)C)c3CC2)c(Cl)nn1 ZINC001164696521 719793629 /nfs/dbraw/zinc/79/36/29/719793629.db2.gz UTALFVLNJKYADK-UHFFFAOYSA-N 0 0 475.927 4.533 20 0 JJADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cccc4c(Cl)nc(Cl)nc42)CC3)cn1 ZINC001164697511 719825747 /nfs/dbraw/zinc/82/57/47/719825747.db2.gz OPOFWDZEOUJXRU-CYBMUJFWSA-N 0 0 468.335 4.758 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cccc4c(Cl)nc(Cl)nc42)CC3)cn1 ZINC001164697514 719825932 /nfs/dbraw/zinc/82/59/32/719825932.db2.gz OPOFWDZEOUJXRU-ZDUSSCGKSA-N 0 0 468.335 4.758 20 0 JJADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(-c4ccccc4)n2)CC3)cn1 ZINC001164698158 719826393 /nfs/dbraw/zinc/82/63/93/719826393.db2.gz SCZNMIXXAHNENQ-KRWDZBQOSA-N 0 0 459.928 4.619 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H](c5cnn(C)c5)CO4)CC3)c(Cl)nn2)cc1 ZINC001164695970 719827201 /nfs/dbraw/zinc/82/72/01/719827201.db2.gz HCSVCXVVAIEMPF-GOSISDBHSA-N 0 0 473.955 4.927 20 0 JJADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)cc1 ZINC001164695485 719830626 /nfs/dbraw/zinc/83/06/26/719830626.db2.gz DDRCJBMQDDRQGH-UHFFFAOYSA-N 0 0 497.977 4.759 20 0 JJADRN O=C1COC2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC2)CN1c1ccccc1 ZINC001164697522 719837033 /nfs/dbraw/zinc/83/70/33/719837033.db2.gz YQYYTHNMFIKAED-UHFFFAOYSA-N 0 0 484.934 4.744 20 0 JJADRN Cn1cnc2c1cc(C1CCN([C@H](F)Oc3cccc(Cl)n3)CC1)nc2-c1cccnc1 ZINC001164701427 719881151 /nfs/dbraw/zinc/88/11/51/719881151.db2.gz NOBVYOMNNJJTRG-QHCPKHFHSA-N 0 0 452.921 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164802466 720053588 /nfs/dbraw/zinc/05/35/88/720053588.db2.gz IMOBNQKVSOQXQF-UTKZUKDTSA-N 0 0 480.968 4.660 20 0 JJADRN CCO[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164711664 720062675 /nfs/dbraw/zinc/06/26/75/720062675.db2.gz JCAGBAQMARFNFK-DBXWQHBBSA-N 0 0 466.912 4.506 20 0 JJADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(-c4ccc(Cl)cc4)c2)C3)n1 ZINC001164811389 720063904 /nfs/dbraw/zinc/06/39/04/720063904.db2.gz OEFSEBIACCEZIA-YWZLYKJASA-N 0 0 467.303 4.696 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)c3cccc(F)c3n2)cs1 ZINC001164816294 720252723 /nfs/dbraw/zinc/25/27/23/720252723.db2.gz HQBPWOMJFXZXQI-HOTGVXAUSA-N 0 0 481.931 4.502 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ccc(Cl)nc3c2)cs1 ZINC001164816110 720253084 /nfs/dbraw/zinc/25/30/84/720253084.db2.gz GTBCAZKXCALYGK-OALUTQOASA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc3ccccc3nc2Cl)cs1 ZINC001164818311 720256093 /nfs/dbraw/zinc/25/60/93/720256093.db2.gz YMDVJACETAQOGR-MOPGFXCFSA-N 0 0 462.953 4.968 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2csc(C)n2)n1 ZINC001164817949 720258493 /nfs/dbraw/zinc/25/84/93/720258493.db2.gz VFSSYZZWGGQAPN-PMACEKPBSA-N 0 0 498.722 4.685 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3c(ccnc3Cl)c2)cs1 ZINC001164817383 720259352 /nfs/dbraw/zinc/25/93/52/720259352.db2.gz QTJGKDZDUYBPGA-RTBURBONSA-N 0 0 462.953 4.968 20 0 JJADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)cs1 ZINC001164817669 720259940 /nfs/dbraw/zinc/25/99/40/720259940.db2.gz SIWQHWXNGVUPTP-UXHICEINSA-N 0 0 489.979 4.877 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)cnc2Cl)c1 ZINC001164819873 720269196 /nfs/dbraw/zinc/26/91/96/720269196.db2.gz SQAXXMSNFHYNHH-LJQANCHMSA-N 0 0 485.966 4.711 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c2c1C ZINC001164821212 720281510 /nfs/dbraw/zinc/28/15/10/720281510.db2.gz ZDFJCYCDEFXGTP-SANMLTNESA-N 0 0 467.683 4.523 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)c1 ZINC001164817603 720283545 /nfs/dbraw/zinc/28/35/45/720283545.db2.gz DWLDLCNJLDWKLS-HSZRJFAPSA-N 0 0 476.955 4.579 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)cc1 ZINC001164821228 720283732 /nfs/dbraw/zinc/28/37/32/720283732.db2.gz ZHZHXCZZCNJLQA-QHCPKHFHSA-N 0 0 476.955 4.579 20 0 JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164720865 720317794 /nfs/dbraw/zinc/31/77/94/720317794.db2.gz BOYJVCQMYKUQPI-OAQYLSRUSA-N 0 0 488.970 4.668 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721352 720353024 /nfs/dbraw/zinc/35/30/24/720353024.db2.gz BTQIMFQHDCQPDX-ROUUACIJSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822917 720387901 /nfs/dbraw/zinc/38/79/01/720387901.db2.gz NBSSRTQHOVNGRH-KSZLIROESA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821447 720389611 /nfs/dbraw/zinc/38/96/11/720389611.db2.gz GOTRCDYBZWURHZ-GUDVDZBRSA-N 0 0 466.941 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723783 720391163 /nfs/dbraw/zinc/39/11/63/720391163.db2.gz HIHIYLPVDINWIL-QZTJIDSGSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164824941 720392249 /nfs/dbraw/zinc/39/22/49/720392249.db2.gz SLYGJPNPQXFIQV-ZHALLVOQSA-N 0 0 466.941 4.546 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164824422 720393416 /nfs/dbraw/zinc/39/34/16/720393416.db2.gz RNEMVZDPKNGFGT-IPMKNSEASA-N 0 0 455.958 4.875 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5ccnc5)c4C3)c(Cl)nn2)cc1 ZINC001164830578 720399083 /nfs/dbraw/zinc/39/90/83/720399083.db2.gz SHLVNDMVKJHUEN-UHFFFAOYSA-N 0 0 498.969 4.712 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)O2)n1 ZINC001164830472 720405621 /nfs/dbraw/zinc/40/56/21/720405621.db2.gz RCTSIJNLMAKBIK-MJBXVCDLSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)O2)n1 ZINC001164830469 720405721 /nfs/dbraw/zinc/40/57/21/720405721.db2.gz RCTSIJNLMAKBIK-IHRRRGAJSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)O2)n1 ZINC001164829260 720411361 /nfs/dbraw/zinc/41/13/61/720411361.db2.gz MEMWKAAVPOHPIV-KSZLIROESA-N 0 0 465.863 4.671 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)O2)n1 ZINC001164829267 720411551 /nfs/dbraw/zinc/41/15/51/720411551.db2.gz MEMWKAAVPOHPIV-SQNIBIBYSA-N 0 0 465.863 4.671 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]21 ZINC001164827533 720418909 /nfs/dbraw/zinc/41/89/09/720418909.db2.gz SUIAIAHSGSTDMF-KEYYUXOJSA-N 0 0 472.363 4.700 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164727529 720484494 /nfs/dbraw/zinc/48/44/94/720484494.db2.gz NIXZLEGETJOLTG-FGZHOGPDSA-N 0 0 471.939 4.599 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725797 720485678 /nfs/dbraw/zinc/48/56/78/720485678.db2.gz KLCKGIIHTIDOAG-YADHBBJMSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725270 720486508 /nfs/dbraw/zinc/48/65/08/720486508.db2.gz JCRKUNUDLWOTGG-NHCUHLMSSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cnc(Cl)c(Cl)c2)C3)c1 ZINC001164723896 720490152 /nfs/dbraw/zinc/49/01/52/720490152.db2.gz DITKUBMAIPOQAP-VBKZILBWSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)C3)c1 ZINC001164732336 720491649 /nfs/dbraw/zinc/49/16/49/720491649.db2.gz ZDJUBUOHSFKKJP-QMHKHESXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2nc4ccsc4c(Cl)n2)C3)c1 ZINC001164724489 720492587 /nfs/dbraw/zinc/49/25/87/720492587.db2.gz GNSOYVNYALYKAS-SPLOXXLWSA-N 0 0 498.958 4.753 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)C3)c1 ZINC001164730563 720493278 /nfs/dbraw/zinc/49/32/78/720493278.db2.gz UHVCBEQZGNDETB-IVZQSRNASA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164722449 720496302 /nfs/dbraw/zinc/49/63/02/720496302.db2.gz AQIALLXUFZJOHE-JTSKRJEESA-N 0 0 481.946 4.718 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164725679 720499785 /nfs/dbraw/zinc/49/97/85/720499785.db2.gz JVLUOOMYKUPGDV-LAUBAEHRSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@@H]21)N1CCCCC1 ZINC001164835445 720501547 /nfs/dbraw/zinc/50/15/47/720501547.db2.gz YBBFGRGVZHWALN-WWMYMODYSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164833972 720502524 /nfs/dbraw/zinc/50/25/24/720502524.db2.gz DZBBYYGMDRVNIO-GJYPPUQNSA-N 0 0 497.011 4.647 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21)N1CCCCC1 ZINC001164836528 720502804 /nfs/dbraw/zinc/50/28/04/720502804.db2.gz MXNBQIKVIVJSES-DWLFOUALSA-N 0 0 490.982 4.586 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736581 720537517 /nfs/dbraw/zinc/53/75/17/720537517.db2.gz ZOLWJGNFSQVGIY-VGSWGCGISA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733532 720537863 /nfs/dbraw/zinc/53/78/63/720537863.db2.gz CRRZTUUKMGBJBZ-KSFYIVLOSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164732958 720538401 /nfs/dbraw/zinc/53/84/01/720538401.db2.gz AARGEGBJQNYMOB-JTSKRJEESA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164732949 720538790 /nfs/dbraw/zinc/53/87/90/720538790.db2.gz AARGEGBJQNYMOB-HTAPYJJXSA-N 0 0 460.912 4.678 20 0 JJADRN O=C(c1ccco1)N1CCC2(CC1)CN(C(F)(F)COc1ccnc(Cl)c1)Cc1ccccc12 ZINC001164844896 720744654 /nfs/dbraw/zinc/74/46/54/720744654.db2.gz VDKPIBKYRSNYGI-UHFFFAOYSA-N 0 0 487.934 4.989 20 0 JJADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccccc1 ZINC001164851146 720767155 /nfs/dbraw/zinc/76/71/55/720767155.db2.gz YONGSNMWBVYMJP-ROUUACIJSA-N 0 0 455.896 4.511 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)nc(Cl)c2c1 ZINC001164848931 720767815 /nfs/dbraw/zinc/76/78/15/720767815.db2.gz RAVJFMSTAUYEPR-OALUTQOASA-N 0 0 458.896 4.611 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164850495 720769926 /nfs/dbraw/zinc/76/99/26/720769926.db2.gz XETMSOUJJSJTKF-DBVUQKKJSA-N 0 0 460.912 4.566 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164848949 720776848 /nfs/dbraw/zinc/77/68/48/720776848.db2.gz RIGCCCSSLFTIDT-ZRBLBEILSA-N 0 0 495.693 4.888 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164848948 720777543 /nfs/dbraw/zinc/77/75/43/720777543.db2.gz RIGCCCSSLFTIDT-ZLNRFVROSA-N 0 0 495.693 4.888 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)C3)C2=O)c1 ZINC001164851351 720806346 /nfs/dbraw/zinc/80/63/46/720806346.db2.gz KXQPJPDUVOHWTJ-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C3)C2=O)c1 ZINC001164848432 720807039 /nfs/dbraw/zinc/80/70/39/720807039.db2.gz CNSQGOUVBSJLRT-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1Cl ZINC001164851284 720807265 /nfs/dbraw/zinc/80/72/65/720807265.db2.gz KPWIWODMRDKBDU-NRFANRHFSA-N 0 0 451.970 4.939 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(CCN(Cc5cccc(C)c5)C4=O)C3)c2c1C ZINC001164848521 720807987 /nfs/dbraw/zinc/80/79/87/720807987.db2.gz CVPCFLSXMCOYCK-MUUNZHRXSA-N 0 0 489.689 4.841 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3nc4cc(Cl)c(Cl)cc4nc3Cl)C[C@H]2CN1Cc1ccncc1 ZINC001164852793 720811506 /nfs/dbraw/zinc/81/15/06/720811506.db2.gz OXGKXACFTPFYLZ-OLZOCXBDSA-N 0 0 498.748 4.625 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164848053 720813424 /nfs/dbraw/zinc/81/34/24/720813424.db2.gz BULNFBSAOXKDJU-DYESRHJHSA-N 0 0 472.898 4.576 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164850543 720813463 /nfs/dbraw/zinc/81/34/63/720813463.db2.gz JFWGGSOFFYEEGR-LAUBAEHRSA-N 0 0 472.898 4.576 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164852414 720814388 /nfs/dbraw/zinc/81/43/88/720814388.db2.gz NPBHIGQWBWIRAO-SFTDATJTSA-N 0 0 497.977 4.955 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164855659 720815092 /nfs/dbraw/zinc/81/50/92/720815092.db2.gz XTWKONXNKKTGPB-UGKGYDQZSA-N 0 0 468.935 4.745 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)cnc2Cl)c1 ZINC001164849536 720824083 /nfs/dbraw/zinc/82/40/83/720824083.db2.gz QPFGWTOSCHPRAW-HKBOAZHASA-N 0 0 477.939 4.546 20 0 JJADRN Cc1nc([C@@H]2COCCN2[C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)cs1 ZINC001164750204 720863347 /nfs/dbraw/zinc/86/33/47/720863347.db2.gz OREFGQVRZYTUQR-AVRDEDQJSA-N 0 0 494.423 4.760 20 0 JJADRN Cc1nc([C@@H]2COCCN2c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cs1 ZINC001164744020 720863978 /nfs/dbraw/zinc/86/39/78/720863978.db2.gz BGSZURNDXQYJFX-NRFANRHFSA-N 0 0 493.658 4.533 20 0 JJADRN Cc1nc([C@@H]2COCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)cs1 ZINC001164753017 720864751 /nfs/dbraw/zinc/86/47/51/720864751.db2.gz VBIDZXXHOXGBKA-SFHVURJKSA-N 0 0 455.653 4.509 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1)c1ccccc1 ZINC001164860231 720899648 /nfs/dbraw/zinc/89/96/48/720899648.db2.gz UONZOBFJKQHFAT-CYFREDJKSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1)c1ccccc1 ZINC001164863732 720900078 /nfs/dbraw/zinc/90/00/78/720900078.db2.gz YUEKJOSAISSJAK-KOSHJBKYSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1)c1ccccc1 ZINC001164853997 720900217 /nfs/dbraw/zinc/90/02/17/720900217.db2.gz DOUGVJYZQOPBHO-CPJSRVTESA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1)c1ccccc1 ZINC001164855039 720901709 /nfs/dbraw/zinc/90/17/09/720901709.db2.gz HLMSALIJFMOHIK-PXDATVDWSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1)c1ccccc1 ZINC001164859846 720901728 /nfs/dbraw/zinc/90/17/28/720901728.db2.gz QDCYDOVBMLCQCJ-SQJMNOBHSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1)c1ccccc1 ZINC001164857440 720902210 /nfs/dbraw/zinc/90/22/10/720902210.db2.gz LEIQOSCKMPOFBT-QRWLVFNGSA-N 0 0 489.872 4.857 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1)c1ccccc1 ZINC001164859057 720902264 /nfs/dbraw/zinc/90/22/64/720902264.db2.gz ODSYRUJQMBWXGE-SQJMNOBHSA-N 0 0 498.961 4.900 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164756204 720977711 /nfs/dbraw/zinc/97/77/11/720977711.db2.gz GIBLQLFOQMZXPU-CQSZACIVSA-N 0 0 468.335 4.741 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164757014 720977840 /nfs/dbraw/zinc/97/78/40/720977840.db2.gz LVOIGZXWPXZJJQ-CQSZACIVSA-N 0 0 468.335 4.741 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)cnc2Cl)cc1 ZINC001164758689 721009075 /nfs/dbraw/zinc/00/90/75/721009075.db2.gz JFVSZAMPEUKRJJ-FSSWDIPSSA-N 0 0 475.898 4.901 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)cnc2Cl)c1 ZINC001164759403 721009250 /nfs/dbraw/zinc/00/92/50/721009250.db2.gz MGISWPGMFDWAPD-BDTNDASRSA-N 0 0 475.898 4.901 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)nc12 ZINC001164766584 721027078 /nfs/dbraw/zinc/02/70/78/721027078.db2.gz REWMCSZYDKYGII-OPAMFIHVSA-N 0 0 478.902 4.707 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164760278 721027250 /nfs/dbraw/zinc/02/72/50/721027250.db2.gz CMNXSPRETPBVGP-PGRDOPGGSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164765432 721027341 /nfs/dbraw/zinc/02/73/41/721027341.db2.gz PIMNGSJRVXBXKL-QRWLVFNGSA-N 0 0 466.941 4.629 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164765430 721027378 /nfs/dbraw/zinc/02/73/78/721027378.db2.gz PIMNGSJRVXBXKL-FOIQADDNSA-N 0 0 466.941 4.629 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)nc12 ZINC001164766576 721027633 /nfs/dbraw/zinc/02/76/33/721027633.db2.gz REWMCSZYDKYGII-AOMKIAJQSA-N 0 0 478.902 4.707 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164763050 721029331 /nfs/dbraw/zinc/02/93/31/721029331.db2.gz JUJUVIKFEVDCKP-OXJNMPFZSA-N 0 0 455.958 4.742 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164763768 721029680 /nfs/dbraw/zinc/02/96/80/721029680.db2.gz KWYSXFHGIZTETN-VGOFRKELSA-N 0 0 460.912 4.568 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164763048 721029730 /nfs/dbraw/zinc/02/97/30/721029730.db2.gz JUJUVIKFEVDCKP-JXFKEZNVSA-N 0 0 455.958 4.742 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164771236 721031649 /nfs/dbraw/zinc/03/16/49/721031649.db2.gz ZUABNIJPBHNAIG-DNVCBOLYSA-N 0 0 460.308 4.553 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@H]2COCc1ccccc1 ZINC001164767424 721048656 /nfs/dbraw/zinc/04/86/56/721048656.db2.gz HDORRJMZCCTQDB-NRFANRHFSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(SC)c(Cl)n1)[C@@H]2COCc1ccccc1 ZINC001164768213 721048742 /nfs/dbraw/zinc/04/87/42/721048742.db2.gz ICGBLVFIEUFMMB-QGZVFWFLSA-N 0 0 479.984 4.934 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164771697 721053236 /nfs/dbraw/zinc/05/32/36/721053236.db2.gz NNVBLZZDHLTEHU-QZTJIDSGSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c(Cl)nn2)c1 ZINC001164773446 721056716 /nfs/dbraw/zinc/05/67/16/721056716.db2.gz RSMILEZCFXHTHU-VXKWHMMOSA-N 0 0 483.950 4.734 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c(Cl)n1 ZINC001164766666 721060083 /nfs/dbraw/zinc/06/00/83/721060083.db2.gz FSKKDAHXCBSCGS-JTSKRJEESA-N 0 0 450.913 5.000 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164764851 721061987 /nfs/dbraw/zinc/06/19/87/721061987.db2.gz BRMWRBPZPAAMIB-FOIQADDNSA-N 0 0 450.942 4.914 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]32)N=C1C ZINC001164871992 721227843 /nfs/dbraw/zinc/22/78/43/721227843.db2.gz MCONGLNUTLUVLR-QMHWCDLVSA-N 0 0 458.940 4.812 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]32)N=C1C ZINC001164874750 721233057 /nfs/dbraw/zinc/23/30/57/721233057.db2.gz SZDFOHLCNJBKNX-NIJIEXERSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]32)N=C1C ZINC001164875816 721233582 /nfs/dbraw/zinc/23/35/82/721233582.db2.gz XIIUWZJHUGEGJM-BIFSNJIPSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@@H]32)N=C1C ZINC001164872535 721235225 /nfs/dbraw/zinc/23/52/25/721235225.db2.gz MMUGOZXRPIIDMR-WCAVRKLYSA-N 0 0 473.955 4.516 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(C)cc5)nnc4Cl)C[C@H]32)N=C1C ZINC001164872530 721235410 /nfs/dbraw/zinc/23/54/10/721235410.db2.gz MMUGOZXRPIIDMR-GEQKSPFYSA-N 0 0 473.955 4.516 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(OC)c5)c4)C[C@H]32)N=C1C ZINC001164870639 721235940 /nfs/dbraw/zinc/23/59/40/721235940.db2.gz AGDLLWCGLAJQON-NYQDVAGCSA-N 0 0 488.966 4.821 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164878874 721249028 /nfs/dbraw/zinc/24/90/28/721249028.db2.gz VWRDGKXJAVFRHD-AABGKKOBSA-N 0 0 472.923 4.942 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC001164880145 721251192 /nfs/dbraw/zinc/25/11/92/721251192.db2.gz ZXVZQETXVUEKQU-FKBYEOEOSA-N 0 0 481.666 4.750 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164875040 721251924 /nfs/dbraw/zinc/25/19/24/721251924.db2.gz LOPXHRLPWZADGH-BPUTZDHNSA-N 0 0 463.834 4.899 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164875043 721252128 /nfs/dbraw/zinc/25/21/28/721252128.db2.gz LOPXHRLPWZADGH-KBMXLJTQSA-N 0 0 463.834 4.899 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164760467 721253205 /nfs/dbraw/zinc/25/32/05/721253205.db2.gz FAVYMWWFQNWCJP-JEBQAFNWSA-N 0 0 496.341 4.695 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)O1)c1ccccc1 ZINC001164877119 721254357 /nfs/dbraw/zinc/25/43/57/721254357.db2.gz QCYZRJVZYDTZAX-UWJYYQICSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)O1)c1ccccc1 ZINC001164878304 721255590 /nfs/dbraw/zinc/25/55/90/721255590.db2.gz UKTVYIRIDQASFB-IIBYNOLFSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)O1)c1ccccc1 ZINC001164873295 721255595 /nfs/dbraw/zinc/25/55/95/721255595.db2.gz HIWJWAIVVWZFIC-YADARESESA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]21 ZINC001164764853 721258835 /nfs/dbraw/zinc/25/88/35/721258835.db2.gz QHQYEZCWMJNPGT-MDASCCDHSA-N 0 0 493.963 4.617 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164763104 721270617 /nfs/dbraw/zinc/27/06/17/721270617.db2.gz BUIHGCQRJDGURA-UHFFFAOYSA-N 0 0 467.907 4.898 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770035 721272959 /nfs/dbraw/zinc/27/29/59/721272959.db2.gz STIPUFSYMYJBSD-CQSZACIVSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164764520 721273314 /nfs/dbraw/zinc/27/33/14/721273314.db2.gz HFBMLFNCYONOOH-KRWDZBQOSA-N 0 0 482.922 4.649 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770034 721273472 /nfs/dbraw/zinc/27/34/72/721273472.db2.gz STIPUFSYMYJBSD-AWEZNQCLSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164768179 721273489 /nfs/dbraw/zinc/27/34/89/721273489.db2.gz LPGDEMBDOSYMKU-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767072 721273648 /nfs/dbraw/zinc/27/36/48/721273648.db2.gz FIQCLZZLWYPVID-MRXNPFEDSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164769982 721274236 /nfs/dbraw/zinc/27/42/36/721274236.db2.gz QOOXVWGUKPXUGS-CQSZACIVSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767163 721276083 /nfs/dbraw/zinc/27/60/83/721276083.db2.gz HBYHVEHJJPIWPI-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(c2nc(Cl)nc4c2CN(Cc2ccccc2)C4)CCO3)c1 ZINC001164775497 721304482 /nfs/dbraw/zinc/30/44/82/721304482.db2.gz XXKMBGKRPYTXKG-NDEPHWFRSA-N 0 0 490.051 4.830 20 0 JJADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2nc(-c4ccc(Cl)nc4)no2)CCO3)c1 ZINC001164775438 721305598 /nfs/dbraw/zinc/30/55/98/721305598.db2.gz WYPPCLNKJNBSDM-QFIPXVFZSA-N 0 0 475.927 4.514 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164879033 721313808 /nfs/dbraw/zinc/31/38/08/721313808.db2.gz MKXIHNDZKTTWNN-YTQUADARSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881966 721314809 /nfs/dbraw/zinc/31/48/09/721314809.db2.gz YTDZSVSFPCJPKL-MAODMQOUSA-N 0 0 472.923 4.800 20 0 JJADRN Cc1ccc(N2CCO[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C[C@H]32)nn1 ZINC001164775898 721314978 /nfs/dbraw/zinc/31/49/78/721314978.db2.gz KYFWBFLYEFRIEA-WOJBJXKFSA-N 0 0 492.357 4.793 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c(Cl)nn1 ZINC001164876392 721315557 /nfs/dbraw/zinc/31/55/57/721315557.db2.gz GYHQWMSZQMFGRO-GQWLDOHISA-N 0 0 490.913 4.939 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4ccncc4)n2)CC3)cc1 ZINC001164778810 721316077 /nfs/dbraw/zinc/31/60/77/721316077.db2.gz RMXXQKUQKKCVKG-UHFFFAOYSA-N 0 0 482.897 4.938 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164778349 721325757 /nfs/dbraw/zinc/32/57/57/721325757.db2.gz PJRZQUDSGWOITB-OAHLLOKOSA-N 0 0 464.875 4.569 20 0 JJADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164777022 721326624 /nfs/dbraw/zinc/32/66/24/721326624.db2.gz KIQVIUZYUUMVAE-CQSZACIVSA-N 0 0 464.875 4.569 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164778074 721327714 /nfs/dbraw/zinc/32/77/14/721327714.db2.gz UGGXHJWQBZEJES-INIZCTEOSA-N 0 0 453.892 4.596 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=NO4)CC3)cnc2Cl)c1 ZINC001164877354 721327810 /nfs/dbraw/zinc/32/78/10/721327810.db2.gz SXUCCHQPQXENGI-UHFFFAOYSA-N 0 0 450.917 4.590 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2)N1CC=CC1 ZINC001164778885 721328150 /nfs/dbraw/zinc/32/81/50/721328150.db2.gz ZZNZFRDJBLIQPQ-UHFFFAOYSA-N 0 0 457.062 4.896 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2)N1CC=CC1 ZINC001164777445 721328710 /nfs/dbraw/zinc/32/87/10/721328710.db2.gz NKQOLKJLNOTNBM-UHFFFAOYSA-N 0 0 456.990 4.529 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)cs1 ZINC001164877691 721331264 /nfs/dbraw/zinc/33/12/64/721331264.db2.gz WJOGAXHQKMSCKN-CYBMUJFWSA-N 0 0 496.996 4.704 20 0 JJADRN CSc1ccc(C(F)(F)N2Cc3ccnn3C[C@@H](COCc3csc(C)n3)C2)nc1Cl ZINC001164874747 721331801 /nfs/dbraw/zinc/33/18/01/721331801.db2.gz IULMOSXDTVHPTO-AWEZNQCLSA-N 0 0 486.013 4.816 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164777404 721336174 /nfs/dbraw/zinc/33/61/74/721336174.db2.gz MZARKFMMIDTXRD-FQEVSTJZSA-N 0 0 475.367 4.657 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164889165 721341957 /nfs/dbraw/zinc/34/19/57/721341957.db2.gz YCMXMKFSYQGXRF-WIYYLYMNSA-N 0 0 470.347 4.598 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164778772 721344994 /nfs/dbraw/zinc/34/49/94/721344994.db2.gz OLNUEAKEPWKUQZ-QHCPKHFHSA-N 0 0 476.408 4.660 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)C1 ZINC001164777279 721347822 /nfs/dbraw/zinc/34/78/22/721347822.db2.gz FGKYUTLUGDWEBR-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2C1 ZINC001164886922 721351126 /nfs/dbraw/zinc/35/11/26/721351126.db2.gz TYNLAAFBEZZUEK-BBRMVZONSA-N 0 0 476.738 4.564 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2C1 ZINC001164886923 721351246 /nfs/dbraw/zinc/35/12/46/721351246.db2.gz TYNLAAFBEZZUEK-CJNGLKHVSA-N 0 0 476.738 4.564 20 0 JJADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2C1 ZINC001164886924 721351291 /nfs/dbraw/zinc/35/12/91/721351291.db2.gz TYNLAAFBEZZUEK-CZUORRHYSA-N 0 0 476.738 4.564 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164776855 721352588 /nfs/dbraw/zinc/35/25/88/721352588.db2.gz DMHLTXKZGVNOKA-HXUWFJFHSA-N 0 0 459.805 4.766 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164884186 721353389 /nfs/dbraw/zinc/35/33/89/721353389.db2.gz MYGFKXJDUJSHTM-REWPJTCUSA-N 0 0 498.961 4.628 20 0 JJADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)N1c1ccsc1 ZINC001164882642 721354782 /nfs/dbraw/zinc/35/47/82/721354782.db2.gz KJBGKBDHQAYKOI-LSDHHAIUSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)N1c1ccsc1 ZINC001164882245 721355139 /nfs/dbraw/zinc/35/51/39/721355139.db2.gz IEADRHRLSKRWRS-HUUCEWRRSA-N 0 0 455.317 4.927 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883978 721360182 /nfs/dbraw/zinc/36/01/82/721360182.db2.gz SIIYCYHTTMYAHH-MOPGFXCFSA-N 0 0 476.936 4.796 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164782295 721362293 /nfs/dbraw/zinc/36/22/93/721362293.db2.gz MPJURRNFIMTQMD-AREMUKBSSA-N 0 0 479.650 4.660 20 0 JJADRN CSc1ccc(Oc2cc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)ncn2)cc1 ZINC001164783927 721362401 /nfs/dbraw/zinc/36/24/01/721362401.db2.gz PZCBSBLKSLAKTA-SANMLTNESA-N 0 0 495.649 4.715 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780006 721367638 /nfs/dbraw/zinc/36/76/38/721367638.db2.gz BWECLERJGQNHOC-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164786963 721373076 /nfs/dbraw/zinc/37/30/76/721373076.db2.gz VYBQKKWOKAUZIW-FYSMJZIKSA-N 0 0 462.038 4.676 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164786965 721373801 /nfs/dbraw/zinc/37/38/01/721373801.db2.gz VYBQKKWOKAUZIW-UPCLLVRISA-N 0 0 462.038 4.676 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164782473 721374663 /nfs/dbraw/zinc/37/46/63/721374663.db2.gz LYRSKRXPZPMSBT-AREMUKBSSA-N 0 0 498.027 4.955 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779654 721383200 /nfs/dbraw/zinc/38/32/00/721383200.db2.gz BYBQWDJOXXBGDD-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164784536 721383203 /nfs/dbraw/zinc/38/32/03/721383203.db2.gz PYMZILCPQMFFOV-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779657 721383281 /nfs/dbraw/zinc/38/32/81/721383281.db2.gz BYBQWDJOXXBGDD-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164783081 721383294 /nfs/dbraw/zinc/38/32/94/721383294.db2.gz NLVRVCKAVNNMBN-WZONZLPQSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780412 721383387 /nfs/dbraw/zinc/38/33/87/721383387.db2.gz HDMGDCILBQORJP-UZLBHIALSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164783077 721383418 /nfs/dbraw/zinc/38/34/18/721383418.db2.gz NLVRVCKAVNNMBN-MBSDFSHPSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779853 721384363 /nfs/dbraw/zinc/38/43/63/721384363.db2.gz CSEFOOFEQFNOTP-XXBNENTESA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786192 721385012 /nfs/dbraw/zinc/38/50/12/721385012.db2.gz UHKULJRUCPXPFK-NFBKMPQASA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782574 721386079 /nfs/dbraw/zinc/38/60/79/721386079.db2.gz MITHUMFQGLNWRA-MBSDFSHPSA-N 0 0 490.938 4.922 20 0 JJADRN FC(F)(N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164779338 721386840 /nfs/dbraw/zinc/38/68/40/721386840.db2.gz AJKZVROMPJIMPX-OFNKIYASSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782556 721387371 /nfs/dbraw/zinc/38/73/71/721387371.db2.gz MIBTWILLYWWPIR-JPYJTQIMSA-N 0 0 463.956 4.756 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164783360 721431234 /nfs/dbraw/zinc/43/12/34/721431234.db2.gz IKNQVLQDJOLTFK-ROUUACIJSA-N 0 0 476.980 4.884 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164783176 721441916 /nfs/dbraw/zinc/44/19/16/721441916.db2.gz NDUOZZJFBQJGAP-NRFANRHFSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1ccc3c(Cl)nccc3c1)CC2 ZINC001164781359 721441931 /nfs/dbraw/zinc/44/19/31/721441931.db2.gz FOTNJRFHFATVGL-OAQYLSRUSA-N 0 0 469.923 4.882 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164781901 721442175 /nfs/dbraw/zinc/44/21/75/721442175.db2.gz HIJOMSKJKIUBNB-JOCHJYFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)c2F)CCO3)cs1 ZINC001164786422 721442666 /nfs/dbraw/zinc/44/26/66/721442666.db2.gz VAUKFUUDJLAJJB-IFXJQAMLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)ncc2F)CCO3)cs1 ZINC001164787433 721443638 /nfs/dbraw/zinc/44/36/38/721443638.db2.gz XBTNHOIKIMVQOU-IFXJQAMLSA-N 0 0 461.937 4.776 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)c(Cl)n1 ZINC001164787247 721443718 /nfs/dbraw/zinc/44/37/18/721443718.db2.gz WQCXEXKDGADATO-MGPUTAFESA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccc(C)c(Cl)n2)CCO3)cs1 ZINC001164780991 721443925 /nfs/dbraw/zinc/44/39/25/721443925.db2.gz DMSCEOAIHCJZJB-OXJNMPFZSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)ncc2F)CCO3)cs1 ZINC001164787436 721444000 /nfs/dbraw/zinc/44/40/00/721444000.db2.gz XBTNHOIKIMVQOU-KUHUBIRLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cc2C)CCO3)cs1 ZINC001164781024 721444032 /nfs/dbraw/zinc/44/40/32/721444032.db2.gz FEULXDZLVRNQIA-UZLBHIALSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)cs1 ZINC001164782534 721444841 /nfs/dbraw/zinc/44/48/41/721444841.db2.gz KBDDBVIOQAMIBD-YCRPNKLZSA-N 0 0 485.000 4.521 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)cnc2Cl)c1 ZINC001164886606 721460421 /nfs/dbraw/zinc/46/04/21/721460421.db2.gz HZEJOAQSKALWHP-ACRUOGEOSA-N 0 0 461.940 4.518 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)C2=O)cs1 ZINC001164884929 721461178 /nfs/dbraw/zinc/46/11/78/721461178.db2.gz CUBMPYKHRDCCMJ-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)c1 ZINC001164888431 721461685 /nfs/dbraw/zinc/46/16/85/721461685.db2.gz MHLJTKMZZNEXPR-IBGZPJMESA-N 0 0 473.014 4.786 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C3)C2=O)cs1 ZINC001164892445 721461881 /nfs/dbraw/zinc/46/18/81/721461881.db2.gz QMVVJBCBEMTWPR-FQEVSTJZSA-N 0 0 466.985 4.639 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2=O)cs1 ZINC001164887984 721462145 /nfs/dbraw/zinc/46/21/45/721462145.db2.gz LIFFUZGWWLVTPB-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164886976 721469554 /nfs/dbraw/zinc/46/95/54/721469554.db2.gz AKEXIKOYZFQLIU-KRWDZBQOSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164887646 721469852 /nfs/dbraw/zinc/46/98/52/721469852.db2.gz DMPRFGJDYUEEIM-SFHVURJKSA-N 0 0 496.949 4.787 20 0 JJADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC2)C1=O ZINC001164896254 721473179 /nfs/dbraw/zinc/47/31/79/721473179.db2.gz WGAYXEXZKKEHMN-UHFFFAOYSA-N 0 0 456.924 4.629 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164897575 721486805 /nfs/dbraw/zinc/48/68/05/721486805.db2.gz SUHQMWWCCLEDDF-LBPRGKRZSA-N 0 0 498.752 4.865 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164895276 721488095 /nfs/dbraw/zinc/48/80/95/721488095.db2.gz KROWRVCIUSCUES-SFHVURJKSA-N 0 0 468.939 4.985 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164791103 721488566 /nfs/dbraw/zinc/48/85/66/721488566.db2.gz AOXDPDOTKVJMTD-OYHNWAKOSA-N 0 0 494.876 4.547 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164893840 721488915 /nfs/dbraw/zinc/48/89/15/721488915.db2.gz DOIVCJNSCDTTQP-CYBMUJFWSA-N 0 0 485.362 4.526 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164900459 721490646 /nfs/dbraw/zinc/49/06/46/721490646.db2.gz PSXCAOBCTPBQNQ-KRWDZBQOSA-N 0 0 491.966 4.871 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164901859 721491016 /nfs/dbraw/zinc/49/10/16/721491016.db2.gz WMBAISINWDFHSU-MRXNPFEDSA-N 0 0 494.945 4.525 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164901886 721491157 /nfs/dbraw/zinc/49/11/57/721491157.db2.gz XDAYALPSWPIKFE-HNNXBMFYSA-N 0 0 494.945 4.525 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3ccc(OC)c(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164901483 721492668 /nfs/dbraw/zinc/49/26/68/721492668.db2.gz VLONYUZGVIZLQR-QGZVFWFLSA-N 0 0 464.944 4.509 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164897502 721501160 /nfs/dbraw/zinc/50/11/60/721501160.db2.gz MKVGUICZBOYZBV-QGZVFWFLSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164897501 721501188 /nfs/dbraw/zinc/50/11/88/721501188.db2.gz MKVGUICZBOYZBV-KRWDZBQOSA-N 0 0 487.378 4.629 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164899224 721502277 /nfs/dbraw/zinc/50/22/77/721502277.db2.gz XKJSYFDVAIKVJW-OAQYLSRUSA-N 0 0 493.982 4.974 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164898319 721503690 /nfs/dbraw/zinc/50/36/90/721503690.db2.gz QNXFFKSZQXXSST-INIZCTEOSA-N 0 0 478.330 4.519 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795250 721506357 /nfs/dbraw/zinc/50/63/57/721506357.db2.gz IVCDMGKLFMLELO-JTSKRJEESA-N 0 0 457.912 4.817 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001164897058 721506649 /nfs/dbraw/zinc/50/66/49/721506649.db2.gz DLUXRARSZREGEV-UHFFFAOYSA-N 0 0 452.958 4.558 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@H]12 ZINC001164806108 721545777 /nfs/dbraw/zinc/54/57/77/721545777.db2.gz NUTKJHMNXMLVJP-ZCNNSNEGSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@H]2CCCO[C@@H]12 ZINC001164809417 721559070 /nfs/dbraw/zinc/55/90/70/721559070.db2.gz XEBBSJNUUZFLAR-NLWGTHIKSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164802324 721560085 /nfs/dbraw/zinc/56/00/85/721560085.db2.gz IBYMPASVKCAJHH-AQNXPRMDSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164802329 721560092 /nfs/dbraw/zinc/56/00/92/721560092.db2.gz IBYMPASVKCAJHH-XUVXKRRUSA-N 0 0 494.373 4.745 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164902656 721577911 /nfs/dbraw/zinc/57/79/11/721577911.db2.gz HKFCWGXCMKMRRD-IBGZPJMESA-N 0 0 479.959 4.525 20 0 JJADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809621 721578355 /nfs/dbraw/zinc/57/83/55/721578355.db2.gz UGLQPNVLWQLLBD-AWRGLXIESA-N 0 0 463.651 4.532 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cnc1Cl ZINC001164902526 721580787 /nfs/dbraw/zinc/58/07/87/721580787.db2.gz FTRXCOOVFIXXCK-QHCPKHFHSA-N 0 0 489.929 4.752 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)cc1 ZINC001164901850 721580823 /nfs/dbraw/zinc/58/08/23/721580823.db2.gz BNWOKVNUGSDEDQ-HSZRJFAPSA-N 0 0 489.929 4.752 20 0 JJADRN Cc1ccc(-c2nc3ccccc3c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)s1 ZINC001164810862 721582503 /nfs/dbraw/zinc/58/25/03/721582503.db2.gz WNFJITMEJMAMBJ-CUYJMHBOSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@@H]2CCCO[C@H]12 ZINC001164810962 721587836 /nfs/dbraw/zinc/58/78/36/721587836.db2.gz WTIYVUMVUGWAMY-NUJGCVRESA-N 0 0 476.877 4.562 20 0 JJADRN CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164810828 721589589 /nfs/dbraw/zinc/58/95/89/721589589.db2.gz WIRWEWRHHMCWKG-NHTMILBNSA-N 0 0 480.012 4.748 20 0 JJADRN CCc1cccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810833 721589977 /nfs/dbraw/zinc/58/99/77/721589977.db2.gz WIRWEWRHHMCWKG-XWGVYQGASA-N 0 0 480.012 4.748 20 0 JJADRN CCc1ccc(Oc2nc(Cl)ncc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164804088 721590468 /nfs/dbraw/zinc/59/04/68/721590468.db2.gz IHIHUWSFOHCISZ-XWGVYQGASA-N 0 0 480.012 4.748 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803408 721593052 /nfs/dbraw/zinc/59/30/52/721593052.db2.gz HZEGTFDRLPLRLL-SBUREZEXSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803406 721593053 /nfs/dbraw/zinc/59/30/53/721593053.db2.gz HZEGTFDRLPLRLL-GAJHUEQPSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164803407 721593149 /nfs/dbraw/zinc/59/31/49/721593149.db2.gz HZEGTFDRLPLRLL-HXOBKFHXSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3cccc(Cl)n3)CC2)Oc2ccccc21 ZINC001164804873 721593277 /nfs/dbraw/zinc/59/32/77/721593277.db2.gz ZHLBEYDHPIFVCI-SBUREZEXSA-N 0 0 461.965 4.683 20 0 JJADRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)Oc2ccccc21 ZINC001164803474 721593360 /nfs/dbraw/zinc/59/33/60/721593360.db2.gz WIHHHNONNFTAIH-INIZCTEOSA-N 0 0 478.971 4.682 20 0 JJADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164802942 721600848 /nfs/dbraw/zinc/60/08/48/721600848.db2.gz UGELBDNCZZIMPX-IRPSRAIASA-N 0 0 469.633 4.562 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)cnc1Cl ZINC001164801451 721600922 /nfs/dbraw/zinc/60/09/22/721600922.db2.gz OMKVPCIJZUWTDN-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc1Cl ZINC001164804215 721600948 /nfs/dbraw/zinc/60/09/48/721600948.db2.gz XEPZGZUNQYIFKF-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798419 721600949 /nfs/dbraw/zinc/60/09/49/721600949.db2.gz FLLKCGCWDPXQDL-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c1 ZINC001164802085 721601243 /nfs/dbraw/zinc/60/12/43/721601243.db2.gz QSUKEBQGVAIIKT-GCJKJVERSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c1 ZINC001164802083 721601320 /nfs/dbraw/zinc/60/13/20/721601320.db2.gz QSUKEBQGVAIIKT-AVRDEDQJSA-N 0 0 465.928 4.593 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164799454 721605456 /nfs/dbraw/zinc/60/54/56/721605456.db2.gz KQSZKAKPDMGJLQ-LJQANCHMSA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164799302 721605558 /nfs/dbraw/zinc/60/55/58/721605558.db2.gz JLYHAYZAIYGDMV-GOSISDBHSA-N 0 0 490.725 4.736 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803757 721607181 /nfs/dbraw/zinc/60/71/81/721607181.db2.gz KKDHSWMOPISZES-FYYLOGMGSA-N 0 0 474.939 4.598 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010370 721691405 /nfs/dbraw/zinc/69/14/05/721691405.db2.gz VVSPDCJYYTVJNR-ZOUOIUENSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009172 721692216 /nfs/dbraw/zinc/69/22/16/721692216.db2.gz NVCGPEQGWSFZSB-ZNRXUEPQSA-N 0 0 476.955 4.955 20 0 JJADRN C[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008882 721692384 /nfs/dbraw/zinc/69/23/84/721692384.db2.gz LLBFNQLZMUZOKT-ZTQAJYAQSA-N 0 0 468.957 4.671 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)C2 ZINC001165009749 721699396 /nfs/dbraw/zinc/69/93/96/721699396.db2.gz CUUCDQGDKFJLJN-UHFFFAOYSA-N 0 0 479.991 4.931 20 0 JJADRN Cc1nc2scc(-c3cccs3)c2c(N2CCCn3c(CN(C)C(C)C)nnc3C2)n1 ZINC001165008981 721714523 /nfs/dbraw/zinc/71/45/23/721714523.db2.gz MFRMZBXEZXRYRO-UHFFFAOYSA-N 0 0 453.641 4.570 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001165010944 721718094 /nfs/dbraw/zinc/71/80/94/721718094.db2.gz LHDITZLRTRLHFI-UHFFFAOYSA-N 0 0 478.950 4.928 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165010056 721718911 /nfs/dbraw/zinc/71/89/11/721718911.db2.gz FJLKRIWBNUYUCP-UHFFFAOYSA-N 0 0 476.959 4.669 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001165009508 721727188 /nfs/dbraw/zinc/72/71/88/721727188.db2.gz YDCRXOHJWIOZME-SANMLTNESA-N 0 0 463.651 4.647 20 0 JJADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001165007456 721728287 /nfs/dbraw/zinc/72/82/87/721728287.db2.gz CZSDSPNDBAEVNN-NRFANRHFSA-N 0 0 452.908 4.708 20 0 JJADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001165009100 721728475 /nfs/dbraw/zinc/72/84/75/721728475.db2.gz UGCINKCDUZTQMQ-OAQYLSRUSA-N 0 0 452.908 4.708 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)c(F)c1)C[C@H]2c1ccccc1 ZINC001164910835 721740848 /nfs/dbraw/zinc/74/08/48/721740848.db2.gz HVVSFWYJODEPEN-WMZHIEFXSA-N 0 0 472.898 4.841 20 0 JJADRN Cc1nc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc(Cl)c1C ZINC001164912892 721741387 /nfs/dbraw/zinc/74/13/87/721741387.db2.gz QWIRXPKGPVVYEU-YKSBVNFPSA-N 0 0 483.950 4.714 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164909980 721744914 /nfs/dbraw/zinc/74/49/14/721744914.db2.gz WCCUMIZICMBUBN-UHFFFAOYSA-N 0 0 454.308 4.511 20 0 JJADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001165013050 721747879 /nfs/dbraw/zinc/74/78/79/721747879.db2.gz SKCCAPOFJYUACK-UHFFFAOYSA-N 0 0 480.962 4.609 20 0 JJADRN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164907913 721751847 /nfs/dbraw/zinc/75/18/47/721751847.db2.gz DDIGKCGMQMXYJZ-UHFFFAOYSA-N 0 0 489.601 4.565 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001164909514 721755318 /nfs/dbraw/zinc/75/53/18/721755318.db2.gz GFKKWTDRUIUVMD-UHFFFAOYSA-N 0 0 453.546 4.517 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164910782 721759375 /nfs/dbraw/zinc/75/93/75/721759375.db2.gz ROFBCBGFLRFRFJ-UHFFFAOYSA-N 0 0 468.335 4.597 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164910577 721762623 /nfs/dbraw/zinc/76/26/23/721762623.db2.gz IRDCLFVJPNERSB-UHFFFAOYSA-N 0 0 458.537 4.982 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(SCc3ccccc3)ncn1)C2 ZINC001164909652 721764042 /nfs/dbraw/zinc/76/40/42/721764042.db2.gz FCDHQTMVMMYWPX-UHFFFAOYSA-N 0 0 457.603 4.952 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)F)nc3ccc(F)cc31)C2 ZINC001164909458 721764998 /nfs/dbraw/zinc/76/49/98/721764998.db2.gz AEHAKMLPVZCUDV-UHFFFAOYSA-N 0 0 453.468 4.889 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)[C@@H]2C1 ZINC001165019584 721772832 /nfs/dbraw/zinc/77/28/32/721772832.db2.gz WOARFWREAAHDLF-QFBILLFUSA-N 0 0 458.896 4.676 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165021941 721779886 /nfs/dbraw/zinc/77/98/86/721779886.db2.gz QFUZDFOQMHDFFE-ZDXQCDESSA-N 0 0 488.966 4.987 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165017346 721780062 /nfs/dbraw/zinc/78/00/62/721780062.db2.gz GJHGIYWTOVUSMI-QRVBRYPASA-N 0 0 498.361 4.521 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165016526 721783223 /nfs/dbraw/zinc/78/32/23/721783223.db2.gz DGDCPLZLRRBJOH-XPNTWCBSSA-N 0 0 480.987 4.588 20 0 JJADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165017465 721785424 /nfs/dbraw/zinc/78/54/24/721785424.db2.gz HEMLMECZSZQXJY-HSZRJFAPSA-N 0 0 485.922 4.640 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001165026602 721793881 /nfs/dbraw/zinc/79/38/81/721793881.db2.gz ZXBVYDQNONHWDE-LAUBAEHRSA-N 0 0 454.908 4.750 20 0 JJADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914818 721802907 /nfs/dbraw/zinc/80/29/07/721802907.db2.gz GZBLNMVXSIXPNM-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914183 721805250 /nfs/dbraw/zinc/80/52/50/721805250.db2.gz AUVIVBWEVYYXCT-SIKLNZKXSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914174 721805687 /nfs/dbraw/zinc/80/56/87/721805687.db2.gz ATTNFLFYFHHMGK-QRWLVFNGSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916489 721806210 /nfs/dbraw/zinc/80/62/10/721806210.db2.gz PDXBATXYWDTHPG-VLIAUNLRSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917645 721807545 /nfs/dbraw/zinc/80/75/45/721807545.db2.gz WNPVVJZQIZTQBD-KNQAVFIVSA-N 0 0 458.896 4.554 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918192 721807930 /nfs/dbraw/zinc/80/79/30/721807930.db2.gz PJZIICDOGJFSEL-ZHRRBRCNSA-N 0 0 476.886 4.693 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919183 721808143 /nfs/dbraw/zinc/80/81/43/721808143.db2.gz WEPVYTYYCAVKEC-WMZHIEFXSA-N 0 0 488.922 4.562 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917253 721808690 /nfs/dbraw/zinc/80/86/90/721808690.db2.gz MBJDRPBASXPIOJ-SGIREYDYSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164915540 721809019 /nfs/dbraw/zinc/80/90/19/721809019.db2.gz BPHVRYFSROJKLK-PZSREKOKSA-N 0 0 450.338 4.590 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164916269 721809885 /nfs/dbraw/zinc/80/98/85/721809885.db2.gz GGLNQFCSSUUOHS-ULFGMLNVSA-N 0 0 484.931 4.624 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919157 721810522 /nfs/dbraw/zinc/81/05/22/721810522.db2.gz VYTSIVZYSBYYDP-CBGDNZLLSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917547 721811077 /nfs/dbraw/zinc/81/10/77/721811077.db2.gz MZVSJMHDQVWDRI-IYJAJMOOSA-N 0 0 482.940 4.592 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917080 721811409 /nfs/dbraw/zinc/81/14/09/721811409.db2.gz KGOUXIZWOSCORZ-LDQXTDLNSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164916445 721811487 /nfs/dbraw/zinc/81/14/87/721811487.db2.gz HRBHOOHYRNVQGQ-LDQXTDLNSA-N 0 0 492.979 4.999 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC001164917951 721815222 /nfs/dbraw/zinc/81/52/22/721815222.db2.gz RUDYRKKVHAKIAM-UHFFFAOYSA-N 0 0 450.590 4.757 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)CC1 ZINC001164918815 721818146 /nfs/dbraw/zinc/81/81/46/721818146.db2.gz VFPXEDDIQQUZAS-UHFFFAOYSA-N 0 0 494.039 4.784 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164926172 721836582 /nfs/dbraw/zinc/83/65/82/721836582.db2.gz QLPMKJSXHVBQIA-XIKOKIGWSA-N 0 0 478.758 4.641 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164926167 721836672 /nfs/dbraw/zinc/83/66/72/721836672.db2.gz QLPMKJSXHVBQIA-KPZWWZAWSA-N 0 0 478.758 4.641 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164920642 721839157 /nfs/dbraw/zinc/83/91/57/721839157.db2.gz ABPJVUVXTYAZEC-VFNWGFHPSA-N 0 0 481.330 4.546 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)c(Cl)nn1 ZINC001164919630 721840989 /nfs/dbraw/zinc/84/09/89/721840989.db2.gz BPWFYJKPRNSIPB-QMHKHESXSA-N 0 0 490.913 4.546 20 0 JJADRN Fc1cnc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)C2)nc1 ZINC001164919337 721846180 /nfs/dbraw/zinc/84/61/80/721846180.db2.gz AOMGAEJZHBAKOU-GOSISDBHSA-N 0 0 496.748 4.639 20 0 JJADRN Fc1ccc(OC2CCN(c3ncnc4c3CCN(Cc3ccccc3)C4)CC2)c(Cl)c1 ZINC001165032881 721879977 /nfs/dbraw/zinc/87/99/77/721879977.db2.gz GWYWUFVQJODFGE-UHFFFAOYSA-N 0 0 452.961 4.875 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1Cl ZINC001165033888 721880009 /nfs/dbraw/zinc/88/00/09/721880009.db2.gz XLWAWASVQRXBBG-UHFFFAOYSA-N 0 0 464.271 4.692 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC(Oc3ccc(F)cc3Cl)CC2)cnc1Cl ZINC001165032779 721880278 /nfs/dbraw/zinc/88/02/78/721880278.db2.gz CLPJCVSYUGQGMF-UHFFFAOYSA-N 0 0 483.339 4.914 20 0 JJADRN Clc1nc2c(c(N(Cc3cccnc3)Cc3ccccn3)n1)CN(Cc1ccccc1)CC2 ZINC001165036753 721880886 /nfs/dbraw/zinc/88/08/86/721880886.db2.gz MMICXDPPBMLUCV-UHFFFAOYSA-N 0 0 456.981 4.685 20 0 JJADRN CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164934688 721894429 /nfs/dbraw/zinc/89/44/29/721894429.db2.gz SATVAJZLSWIWSL-CVEARBPZSA-N 0 0 460.834 4.560 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)CC[C@@H]21)NC1CCC1 ZINC001164933687 721897422 /nfs/dbraw/zinc/89/74/22/721897422.db2.gz MXSMWYIZUCLVOF-ZJBJCVSYSA-N 0 0 491.966 4.727 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)CC[C@@H]21)NC1CCC1 ZINC001164933686 721897530 /nfs/dbraw/zinc/89/75/30/721897530.db2.gz MXSMWYIZUCLVOF-NRJQMVOHSA-N 0 0 491.966 4.727 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928838 721898260 /nfs/dbraw/zinc/89/82/60/721898260.db2.gz QQRSHBFROUPDMI-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928916 721898619 /nfs/dbraw/zinc/89/86/19/721898619.db2.gz SICDYUDJFGLJAX-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926528 721898873 /nfs/dbraw/zinc/89/88/73/721898873.db2.gz COPWJRRWXRHVHM-DEOSSOPVSA-N 0 0 479.918 4.963 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928449 721898921 /nfs/dbraw/zinc/89/89/21/721898921.db2.gz OPMGFBMHOCWPIV-HSZRJFAPSA-N 0 0 467.907 4.897 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927609 721899167 /nfs/dbraw/zinc/89/91/67/721899167.db2.gz JPUYENYFSXGLFT-XMMPIXPASA-N 0 0 479.918 4.963 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164935726 721910991 /nfs/dbraw/zinc/91/09/91/721910991.db2.gz NVZDQOSAYQRLMB-QRWLVFNGSA-N 0 0 472.898 4.832 20 0 JJADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165042639 721926119 /nfs/dbraw/zinc/92/61/19/721926119.db2.gz FLEASVQHTHFJAU-INIZCTEOSA-N 0 0 476.877 4.662 20 0 JJADRN F[C@]1(N2CC[C@@H](c3ccncc3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165042683 721927937 /nfs/dbraw/zinc/92/79/37/721927937.db2.gz FQLREFKMRRNDQQ-JPYJTQIMSA-N 0 0 458.368 4.806 20 0 JJADRN F[C@]1(N2CC[C@H](c3ccncc3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165042685 721928124 /nfs/dbraw/zinc/92/81/24/721928124.db2.gz FQLREFKMRRNDQQ-MBSDFSHPSA-N 0 0 458.368 4.806 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165045336 721939800 /nfs/dbraw/zinc/93/98/00/721939800.db2.gz ZCVZLTARNPZOKJ-UHFFFAOYSA-N 0 0 467.303 4.595 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@@H]21 ZINC001164947596 721943523 /nfs/dbraw/zinc/94/35/23/721943523.db2.gz XXEDVDMXSUXKGL-PMACEKPBSA-N 0 0 483.346 4.781 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C[C@@H]21 ZINC001164941956 721944579 /nfs/dbraw/zinc/94/45/79/721944579.db2.gz JFUMCRZKOWVQID-LOSJGSFVSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@@H]21 ZINC001164947792 721949451 /nfs/dbraw/zinc/94/94/51/721949451.db2.gz XYNRBAQUCPHGKT-RRPNLBNLSA-N 0 0 470.573 4.508 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164949610 721951929 /nfs/dbraw/zinc/95/19/29/721951929.db2.gz VBRFNPUJQSWYIM-PMACEKPBSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@H]21 ZINC001164942418 721955698 /nfs/dbraw/zinc/95/56/98/721955698.db2.gz DWAOLNJDNVWCPT-RTWAWAEBSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)C[C@@H]21 ZINC001164942404 721955886 /nfs/dbraw/zinc/95/58/86/721955886.db2.gz DWAOLNJDNVWCPT-LEWJYISDSA-N 0 0 482.009 4.706 20 0 JJADRN COc1ccc2c(c1)nc(N1C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C1)cc2-c1ccccc1 ZINC001164942338 721956534 /nfs/dbraw/zinc/95/65/34/721956534.db2.gz DUNMQOXHDLBHNG-KAYWLYCHSA-N 0 0 470.573 4.605 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C[C@@H]12 ZINC001164948229 721965491 /nfs/dbraw/zinc/96/54/91/721965491.db2.gz SLXDARZQAQRMCL-DYESRHJHSA-N 0 0 462.953 4.659 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]12 ZINC001164948778 721965990 /nfs/dbraw/zinc/96/59/90/721965990.db2.gz VIDXURDNEUCMJA-GGAORHGYSA-N 0 0 456.924 4.597 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1Cl ZINC001164947075 721966662 /nfs/dbraw/zinc/96/66/62/721966662.db2.gz PBVALXOJHYYMFB-CTNGQTDRSA-N 0 0 451.970 4.771 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1Cl ZINC001164947078 721966695 /nfs/dbraw/zinc/96/66/95/721966695.db2.gz PBVALXOJHYYMFB-FPOVZHCZSA-N 0 0 451.970 4.771 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C[C@@H]12 ZINC001164944783 721967389 /nfs/dbraw/zinc/96/73/89/721967389.db2.gz JLGUJCVKQXUXSV-FYYLOGMGSA-N 0 0 472.923 4.704 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]12 ZINC001164949797 721967576 /nfs/dbraw/zinc/96/75/76/721967576.db2.gz YSVPVXLFGRTJIK-QPPBQGQZSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]12 ZINC001164948285 721967638 /nfs/dbraw/zinc/96/76/38/721967638.db2.gz SUCZKDCUQKZTOY-AFESJLNVSA-N 0 0 480.971 4.693 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CC2 ZINC001164947306 721978054 /nfs/dbraw/zinc/97/80/54/721978054.db2.gz OSZIJXIJUDFPOD-UHFFFAOYSA-N 0 0 499.565 4.546 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCC4(C3)OCCO4)n2)CC1 ZINC001165046775 721985701 /nfs/dbraw/zinc/98/57/01/721985701.db2.gz CGAOSWFPSWDXTP-UHFFFAOYSA-N 0 0 456.637 4.605 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164953022 721998456 /nfs/dbraw/zinc/99/84/56/721998456.db2.gz VSDJPMGLBOBROK-UHFFFAOYSA-N 0 0 482.922 4.923 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164954539 722006347 /nfs/dbraw/zinc/00/63/47/722006347.db2.gz XWCLRXZYCDDMDH-UHFFFAOYSA-N 0 0 466.923 4.953 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164953600 722006773 /nfs/dbraw/zinc/00/67/73/722006773.db2.gz RTQXWNVNTJXNPN-UHFFFAOYSA-N 0 0 455.940 4.980 20 0 JJADRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C2)C1 ZINC001164953715 722011511 /nfs/dbraw/zinc/01/15/11/722011511.db2.gz GGRHDWBJBOSDHB-AVRDEDQJSA-N 0 0 470.992 4.727 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2ccc(F)c(Cl)n2)C3)n1 ZINC001164964722 722025907 /nfs/dbraw/zinc/02/59/07/722025907.db2.gz XZZGUVOYEGRNSM-FPOVZHCZSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cc(Cl)ncc2F)C3)n1 ZINC001164964133 722026498 /nfs/dbraw/zinc/02/64/98/722026498.db2.gz VNVRELSJOPSZIA-PZJWPPBQSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cnc(Cl)cc2C)C3)n1 ZINC001164961401 722026603 /nfs/dbraw/zinc/02/66/03/722026603.db2.gz NPJPMZGLOKXMLZ-RBBKRZOGSA-N 0 0 451.945 4.884 20 0 JJADRN COc1ccc(C(F)(F)N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c(Cl)n1 ZINC001164962136 722026633 /nfs/dbraw/zinc/02/66/33/722026633.db2.gz QBICGYAHMYYEAV-KNQAVFIVSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc(C)c(Cl)n2)C3)n1 ZINC001164959892 722026944 /nfs/dbraw/zinc/02/69/44/722026944.db2.gz JJOJIDAKYIWONR-IFMALSPDSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)n1 ZINC001164958071 722027060 /nfs/dbraw/zinc/02/70/60/722027060.db2.gz FKVJRZKFYNGNAJ-NZQKXSOJSA-N 0 0 489.954 4.519 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001164962486 722029285 /nfs/dbraw/zinc/02/92/85/722029285.db2.gz XRJVNNIURIZTSG-MBOZVWFJSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001164958289 722029717 /nfs/dbraw/zinc/02/97/17/722029717.db2.gz OMJARDCKDAAYSS-AQNXPRMDSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164958622 722029843 /nfs/dbraw/zinc/02/98/43/722029843.db2.gz OZZWIWRJAZQRMV-XUVXKRRUSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c(Cl)nn2)cc1 ZINC001164957796 722030303 /nfs/dbraw/zinc/03/03/03/722030303.db2.gz NIGGWQJZBSVJSH-AABGKKOBSA-N 0 0 494.876 4.830 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c(Cl)nn2)cc1 ZINC001164957800 722030344 /nfs/dbraw/zinc/03/03/44/722030344.db2.gz NIGGWQJZBSVJSH-AQNXPRMDSA-N 0 0 494.876 4.830 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c1 ZINC001164960901 722038668 /nfs/dbraw/zinc/03/86/68/722038668.db2.gz KGBDRLAUELBXQH-UUVAVEHKSA-N 0 0 472.026 4.885 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(-c5ccc(C(C)C)cc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164964756 722043270 /nfs/dbraw/zinc/04/32/70/722043270.db2.gz UZVOTPAANFTTSD-WFXMLNOXSA-N 0 0 489.954 4.993 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccc(C(C)C)cc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164964746 722043283 /nfs/dbraw/zinc/04/32/83/722043283.db2.gz UZVOTPAANFTTSD-LQWHRVPQSA-N 0 0 489.954 4.993 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c2ccccc21 ZINC001164956926 722047712 /nfs/dbraw/zinc/04/77/12/722047712.db2.gz DZAFSIOEZVLYMH-MGPUTAFESA-N 0 0 497.933 4.778 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)c1 ZINC001164959659 722049245 /nfs/dbraw/zinc/04/92/45/722049245.db2.gz RECHLAUQZXVHRM-OXJNMPFZSA-N 0 0 473.907 4.899 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cnc2Cl)c1 ZINC001164959660 722049379 /nfs/dbraw/zinc/04/93/79/722049379.db2.gz RECHLAUQZXVHRM-OXQOHEQNSA-N 0 0 473.907 4.899 20 0 JJADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164959688 722049486 /nfs/dbraw/zinc/04/94/86/722049486.db2.gz RLCOPHVTJFEXBI-UHFFFAOYSA-N 0 0 476.318 4.817 20 0 JJADRN Fc1c(Cl)nccc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164959182 722049625 /nfs/dbraw/zinc/04/96/25/722049625.db2.gz PRJICCWLJSJVJT-UHFFFAOYSA-N 0 0 458.875 4.908 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)cnc1Cl ZINC001164957012 722049759 /nfs/dbraw/zinc/04/97/59/722049759.db2.gz GVZISTTWHCXNPZ-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)c1 ZINC001164961370 722049818 /nfs/dbraw/zinc/04/98/18/722049818.db2.gz YZVSFZKRQCWWFT-UHFFFAOYSA-N 0 0 498.921 4.555 20 0 JJADRN Cc1nc(C(F)(F)N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc(Cl)c1C ZINC001164957412 722049937 /nfs/dbraw/zinc/04/99/37/722049937.db2.gz JFYJIWAAVPITOD-UHFFFAOYSA-N 0 0 469.927 4.780 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164960520 722050657 /nfs/dbraw/zinc/05/06/57/722050657.db2.gz QZNUEQMDPRLQFG-UHFFFAOYSA-N 0 0 471.895 4.654 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)nc2Cl)[C@@H]3C)c1 ZINC001164962850 722062832 /nfs/dbraw/zinc/06/28/32/722062832.db2.gz AIDWDBPUQPPZCR-CYBMUJFWSA-N 0 0 469.323 4.526 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)[C@H]3C)c1 ZINC001164965852 722063195 /nfs/dbraw/zinc/06/31/95/722063195.db2.gz MCHABROTIQRCJW-AWEZNQCLSA-N 0 0 483.350 4.612 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)[C@@H]3C)c1 ZINC001164963019 722063412 /nfs/dbraw/zinc/06/34/12/722063412.db2.gz ASPAZMQXSSMQCV-OAHLLOKOSA-N 0 0 474.943 4.750 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164966063 722064755 /nfs/dbraw/zinc/06/47/55/722064755.db2.gz NSWGRUNFTBLDSB-OALUTQOASA-N 0 0 476.936 4.777 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164965478 722065972 /nfs/dbraw/zinc/06/59/72/722065972.db2.gz KFMXZQUQMHNGAX-JKSUJKDBSA-N 0 0 466.966 4.958 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)c(Cl)nn2)c1 ZINC001164966276 722066107 /nfs/dbraw/zinc/06/61/07/722066107.db2.gz POTDYTDFDYRHLQ-RTBURBONSA-N 0 0 475.952 4.600 20 0 JJADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(Cl)nn1 ZINC001164967417 722077911 /nfs/dbraw/zinc/07/79/11/722077911.db2.gz FJYJYERDMLACFE-GASCZTMLSA-N 0 0 488.888 4.660 20 0 JJADRN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]21 ZINC001164969389 722080317 /nfs/dbraw/zinc/08/03/17/722080317.db2.gz JOXVNPXNJOCEAX-KUDFPVQQSA-N 0 0 494.373 4.799 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCc3onc(COc4ccccn4)c3C2)c(Cl)nn1 ZINC001164969726 722083140 /nfs/dbraw/zinc/08/31/40/722083140.db2.gz RLLDWGWWYAEVHW-UHFFFAOYSA-N 0 0 499.905 4.875 20 0 JJADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CCO2 ZINC001164970342 722084136 /nfs/dbraw/zinc/08/41/36/722084136.db2.gz WTWXZSJTLFIEIH-DEOSSOPVSA-N 0 0 486.950 4.713 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@H]2C1 ZINC001164972634 722085145 /nfs/dbraw/zinc/08/51/45/722085145.db2.gz MDRAGWMSIGLYGB-CLLJXQQHSA-N 0 0 455.336 4.613 20 0 JJADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164970702 722085617 /nfs/dbraw/zinc/08/56/17/722085617.db2.gz FZGPOABPGNXSAE-ACDBMABISA-N 0 0 493.721 4.687 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164977637 722085754 /nfs/dbraw/zinc/08/57/54/722085754.db2.gz XKGWPACTGWVQMA-ACDBMABISA-N 0 0 475.662 4.551 20 0 JJADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@@H]2C1 ZINC001164977849 722085961 /nfs/dbraw/zinc/08/59/61/722085961.db2.gz YIYKGAGBHASMNS-IRXDYDNUSA-N 0 0 461.940 4.958 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C[C@H]2C1 ZINC001164977845 722086031 /nfs/dbraw/zinc/08/60/31/722086031.db2.gz YIYKGAGBHASMNS-IAGOWNOFSA-N 0 0 461.940 4.958 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2c2ccccc21 ZINC001164975848 722091001 /nfs/dbraw/zinc/09/10/01/722091001.db2.gz RAMIGTRZBKTMLO-RDTXWAMCSA-N 0 0 479.936 4.540 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164978813 722091319 /nfs/dbraw/zinc/09/13/19/722091319.db2.gz YBXUSRIJLMYOCU-NRFANRHFSA-N 0 0 480.056 4.559 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164971842 722091644 /nfs/dbraw/zinc/09/16/44/722091644.db2.gz FKWMDEHCOCSVSY-INIZCTEOSA-N 0 0 464.944 4.621 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164980226 722091830 /nfs/dbraw/zinc/09/18/30/722091830.db2.gz LSYVJGIRLKUHIF-DVECYGJZSA-N 0 0 472.992 4.837 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)nc(Cl)c2c1 ZINC001164980074 722091835 /nfs/dbraw/zinc/09/18/35/722091835.db2.gz LIHOCMJBOLBYGA-MRXNPFEDSA-N 0 0 478.971 4.750 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]21 ZINC001164981775 722097277 /nfs/dbraw/zinc/09/72/77/722097277.db2.gz OULATQLWWSVZIH-MIZPHKNDSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001164974571 722098034 /nfs/dbraw/zinc/09/80/34/722098034.db2.gz AIVDJVOOPNDMRS-TXTKFYIRSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nccc4c3)C[C@H]21 ZINC001164979268 722098212 /nfs/dbraw/zinc/09/82/12/722098212.db2.gz HSFJWCMEDOPDGD-PWRODBHTSA-N 0 0 456.924 4.979 20 0 JJADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@]3(C2)C(=O)N(C)c2ccccc23)c2ccccc21 ZINC001164981145 722162261 /nfs/dbraw/zinc/16/22/61/722162261.db2.gz OREKPRPSMIZTPG-RUZDIDTESA-N 0 0 493.945 4.958 20 0 JJADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1=O ZINC001164982592 722162936 /nfs/dbraw/zinc/16/29/36/722162936.db2.gz WYAVIWHCDSWEBB-JOCHJYFZSA-N 0 0 458.871 4.606 20 0 JJADRN 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CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545865757 1064274415 /nfs/dbraw/zinc/27/44/15/1064274415.db2.gz LPDWVRJLOQSQPA-UHFFFAOYSA-N 0 0 450.631 4.855 20 0 JJADRN CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1Cc1ccsc1Br ZINC001359727656 1064274858 /nfs/dbraw/zinc/27/48/58/1064274858.db2.gz CHQVOOYDRJWYJE-IYBDPMFKSA-N 0 0 496.475 4.577 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001545865831 1064275010 /nfs/dbraw/zinc/27/50/10/1064275010.db2.gz NCXLEOVRFBIFNR-JOCHJYFZSA-N 0 0 451.537 4.890 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1Cc1ccccc1-n1nc(C)cc1C ZINC001545866031 1064275572 /nfs/dbraw/zinc/27/55/72/1064275572.db2.gz SPTZQDHNTMLAIO-HHHXNRCGSA-N 0 0 477.657 4.674 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001545865980 1064275768 /nfs/dbraw/zinc/27/57/68/1064275768.db2.gz RHKHQIIUMQIAFQ-QFIPXVFZSA-N 0 0 468.646 4.563 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOc2ccc(F)cc2)C1 ZINC001359728423 1064276072 /nfs/dbraw/zinc/27/60/72/1064276072.db2.gz CUPYGVHUPPLOMP-FQEVSTJZSA-N 0 0 480.588 4.796 20 0 JJADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[C@H]3C)CC2)n1 ZINC001359728413 1064276093 /nfs/dbraw/zinc/27/60/93/1064276093.db2.gz CQKOAIOPNZQYSI-AABGKKOBSA-N 0 0 457.667 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCc1ccc2[nH]ccc2c1 ZINC001545866100 1064276017 /nfs/dbraw/zinc/27/60/17/1064276017.db2.gz VKNNAXXWBWICJB-SFHVURJKSA-N 0 0 450.631 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001545866248 1064276125 /nfs/dbraw/zinc/27/61/25/1064276125.db2.gz ZJHXYFIMSFBWRK-MUUNZHRXSA-N 0 0 494.684 5.000 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC001359728550 1064276453 /nfs/dbraw/zinc/27/64/53/1064276453.db2.gz FVRLYNXJIDRNFN-KCZVDYSFSA-N 0 0 468.646 4.639 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1CCc1c[nH]c2cc(F)ccc12 ZINC001545867371 1064276658 /nfs/dbraw/zinc/27/66/58/1064276658.db2.gz APGXMVHHXGSZCK-OPAMFIHVSA-N 0 0 454.594 4.684 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC2CCOCC2)C1 ZINC001359728899 1064277095 /nfs/dbraw/zinc/27/70/95/1064277095.db2.gz NXYIMXRARXPBRP-LJQANCHMSA-N 0 0 494.478 4.741 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001545867508 1064277480 /nfs/dbraw/zinc/27/74/80/1064277480.db2.gz CUACZYGJIWPPDP-XXBNENTESA-N 0 0 482.673 4.976 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001359728904 1064277981 /nfs/dbraw/zinc/27/79/81/1064277981.db2.gz OAVXPMTYPKPPDF-HKUYNNGSSA-N 0 0 466.598 4.656 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1CCc1ccc(F)cc1Cl ZINC001545867918 1064277996 /nfs/dbraw/zinc/27/79/96/1064277996.db2.gz IYZNQARBFVVZNV-MGPUTAFESA-N 0 0 450.002 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1CCc1ccc(F)cc1Cl ZINC001545867919 1064278041 /nfs/dbraw/zinc/27/80/41/1064278041.db2.gz IYZNQARBFVVZNV-QRWLVFNGSA-N 0 0 450.002 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCCc1c[nH]c2ccccc12 ZINC001545867759 1064278075 /nfs/dbraw/zinc/27/80/75/1064278075.db2.gz HCUGKWYBAHRKNT-RBUKOAKNSA-N 0 0 450.631 4.793 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)C1 ZINC001359729339 1064279010 /nfs/dbraw/zinc/27/90/10/1064279010.db2.gz XMCMVFFMYBVUGY-KRWDZBQOSA-N 0 0 453.965 4.779 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCSC2(C)C)C1 ZINC001359729278 1064279196 /nfs/dbraw/zinc/27/91/96/1064279196.db2.gz WHQXLGMZSGZHGP-VQTJNVASSA-N 0 0 476.712 4.753 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC001359729391 1064279656 /nfs/dbraw/zinc/27/96/56/1064279656.db2.gz YRKMGYASVXEPDW-IRLDBZIGSA-N 0 0 453.631 4.614 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCCc1cccc(F)c1 ZINC001545868597 1064280081 /nfs/dbraw/zinc/28/00/81/1064280081.db2.gz SWYXKCJJAUJJPV-LJQANCHMSA-N 0 0 455.622 4.985 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2CC)n1Cc1ccc(OC)c(Br)c1 ZINC001545868866 1064280624 /nfs/dbraw/zinc/28/06/24/1064280624.db2.gz WVYLIVQDOUBBEI-KXBFYZLASA-N 0 0 492.462 4.641 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(C)C)C1 ZINC001359729807 1064281067 /nfs/dbraw/zinc/28/10/67/1064281067.db2.gz HPRICHLVMHNTEG-LJQANCHMSA-N 0 0 460.692 4.793 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001545869853 1064281508 /nfs/dbraw/zinc/28/15/08/1064281508.db2.gz AAVGEHPSFHQJKA-BKSPAHHJSA-N 0 0 497.684 4.650 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)C1 ZINC001359730763 1064282342 /nfs/dbraw/zinc/28/23/42/1064282342.db2.gz AQLNVSFUHZEDFX-SFTDATJTSA-N 0 0 489.686 4.763 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001545870265 1064283429 /nfs/dbraw/zinc/28/34/29/1064283429.db2.gz KCCOMQHGVOKVSQ-CQSZACIVSA-N 0 0 496.559 4.501 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CCc1scnc1C ZINC001545870338 1064283557 /nfs/dbraw/zinc/28/35/57/1064283557.db2.gz MCGKKTOYOMCUFI-FQEVSTJZSA-N 0 0 466.655 4.506 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001359731256 1064283717 /nfs/dbraw/zinc/28/37/17/1064283717.db2.gz JNLXMIVEKJCLAM-IBGZPJMESA-N 0 0 489.611 4.886 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)C1 ZINC001359731411 1064283760 /nfs/dbraw/zinc/28/37/60/1064283760.db2.gz LTYHFVLTBZAETE-OALUTQOASA-N 0 0 483.604 4.504 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C1 ZINC001359731472 1064284331 /nfs/dbraw/zinc/28/43/31/1064284331.db2.gz MSLFBNMLMYOKCV-RTWAWAEBSA-N 0 0 471.612 4.709 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)C1 ZINC001359731646 1064284524 /nfs/dbraw/zinc/28/45/24/1064284524.db2.gz PWFQYABPOZBESE-RTWAWAEBSA-N 0 0 454.663 4.765 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)C1 ZINC001359731525 1064284556 /nfs/dbraw/zinc/28/45/56/1064284556.db2.gz OBIZSXOTHDOVRU-FGZHOGPDSA-N 0 0 473.662 4.612 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CCC1CCC(OC)CC1 ZINC001545870506 1064284502 /nfs/dbraw/zinc/28/45/02/1064284502.db2.gz PHYROVIBKAQSEF-DJSMFCCRSA-N 0 0 467.658 4.786 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001545870456 1064284661 /nfs/dbraw/zinc/28/46/61/1064284661.db2.gz OGODVMVIZDTELU-VQTJNVASSA-N 0 0 465.598 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1Cc1ccc(C)s1 ZINC001545870607 1064285214 /nfs/dbraw/zinc/28/52/14/1064285214.db2.gz RQXWRZHUQYNLMY-SFHVURJKSA-N 0 0 455.603 4.748 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1cc(F)ccc1F ZINC001359732388 1064286208 /nfs/dbraw/zinc/28/62/08/1064286208.db2.gz CTAWSTCJGGEICM-GOSISDBHSA-N 0 0 464.358 4.997 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001359732380 1064286240 /nfs/dbraw/zinc/28/62/40/1064286240.db2.gz CNPDZGGITLARPY-DHIUTWEWSA-N 0 0 493.618 4.589 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359732215 1064286305 /nfs/dbraw/zinc/28/63/05/1064286305.db2.gz ZFHACODURGAGOJ-YPAWHYETSA-N 0 0 475.678 4.692 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1ccc(OC)cc1F ZINC001545872195 1064286412 /nfs/dbraw/zinc/28/64/12/1064286412.db2.gz JEBHBSYZNNDRBD-UHFFFAOYSA-N 0 0 485.629 4.838 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)C1 ZINC001359732411 1064286978 /nfs/dbraw/zinc/28/69/78/1064286978.db2.gz DHBAZNMCBVOSIR-LJQANCHMSA-N 0 0 469.033 4.892 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CSCCS2)C1 ZINC001359732863 1064287600 /nfs/dbraw/zinc/28/76/00/1064287600.db2.gz MFGHRSXXOKXAPG-PXNSSMCTSA-N 0 0 450.649 4.717 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001545872361 1064287688 /nfs/dbraw/zinc/28/76/88/1064287688.db2.gz NVPKTPGKVHFEHA-AREMUKBSSA-N 0 0 499.681 4.760 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001545872362 1064287783 /nfs/dbraw/zinc/28/77/83/1064287783.db2.gz NVPKTPGKVHFEHA-SANMLTNESA-N 0 0 499.681 4.760 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccccc2)C1 ZINC001359733146 1064289623 /nfs/dbraw/zinc/28/96/23/1064289623.db2.gz SORNHJZEHITMMS-LPSSJVKGSA-N 0 0 497.684 4.829 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC2CC2)C1 ZINC001359733349 1064290444 /nfs/dbraw/zinc/29/04/44/1064290444.db2.gz XAFSHZULDQTJIF-QGZVFWFLSA-N 0 0 480.440 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1C[C@@H]1CCCSC1 ZINC001545874298 1064290570 /nfs/dbraw/zinc/29/05/70/1064290570.db2.gz NHWRBNVOTFZLNV-UXHICEINSA-N 0 0 473.662 4.548 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545874469 1064291315 /nfs/dbraw/zinc/29/13/15/1064291315.db2.gz SXMRKMWTHLPWFL-SKINQDTJSA-N 0 0 499.622 4.818 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@H](C)c1cccc(C)c1 ZINC001545874618 1064291356 /nfs/dbraw/zinc/29/13/56/1064291356.db2.gz XFWJVGVEEQJZFD-OFNKIYASSA-N 0 0 467.658 4.562 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545874546 1064291444 /nfs/dbraw/zinc/29/14/44/1064291444.db2.gz VMJSOVGKMZNHLX-RBISFHTESA-N 0 0 481.685 4.597 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)OC(C)(C)C ZINC001359733699 1064291722 /nfs/dbraw/zinc/29/17/22/1064291722.db2.gz FLJJQMYZVWEQBJ-SFHVURJKSA-N 0 0 478.435 4.857 20 0 JJADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCNC(=O)C1CCC1 ZINC001359733998 1064291775 /nfs/dbraw/zinc/29/17/75/1064291775.db2.gz KLUAFPRESRYEIY-FQEVSTJZSA-N 0 0 492.437 4.778 20 0 JJADRN Cc1cc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C2CC2)ccc1F ZINC001545875566 1064291937 /nfs/dbraw/zinc/29/19/37/1064291937.db2.gz ZHWQFISUGJMWST-QHCPKHFHSA-N 0 0 456.514 4.955 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCc1ccsc1 ZINC001545875732 1064292019 /nfs/dbraw/zinc/29/20/19/1064292019.db2.gz FHBSZHMLWQXUTD-NRFANRHFSA-N 0 0 451.640 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001545876262 1064292729 /nfs/dbraw/zinc/29/27/29/1064292729.db2.gz VJDVILWCAAYBAJ-FQEVSTJZSA-N 0 0 478.641 4.599 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccccc2F)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359734217 1064293153 /nfs/dbraw/zinc/29/31/53/1064293153.db2.gz OOPVCEWTQQNFAH-HXUWFJFHSA-N 0 0 453.528 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@H](C)c1c(C)noc1C ZINC001545877473 1064293475 /nfs/dbraw/zinc/29/34/75/1064293475.db2.gz DELXKTZKCXRUTP-GFCCVEGCSA-N 0 0 469.417 4.504 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@H](C)Oc1ccc(OC)cc1 ZINC001545877488 1064293494 /nfs/dbraw/zinc/29/34/94/1064293494.db2.gz DLONZWROUMNAFT-HNNXBMFYSA-N 0 0 496.439 4.572 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1C[C@@H]1CC1(C)C ZINC001545878105 1064293835 /nfs/dbraw/zinc/29/38/35/1064293835.db2.gz XBBHTFDZZIDWAZ-FQEVSTJZSA-N 0 0 453.631 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001545877575 1064293860 /nfs/dbraw/zinc/29/38/60/1064293860.db2.gz GGFWPPHUOBXEDY-UHFFFAOYSA-N 0 0 451.537 4.549 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1Cc1c(C)coc1C ZINC001545877799 1064293971 /nfs/dbraw/zinc/29/39/71/1064293971.db2.gz NMTBAPDJMHUKMO-UHFFFAOYSA-N 0 0 479.625 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1coc2ccccc12 ZINC001545877775 1064294158 /nfs/dbraw/zinc/29/41/58/1064294158.db2.gz 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MZFIWDWEMUBEBI-UHFFFAOYSA-N 0 0 458.599 4.679 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359744708 1064317293 /nfs/dbraw/zinc/31/72/93/1064317293.db2.gz PWKLENXZMUTKTN-FGZHOGPDSA-N 0 0 463.592 4.820 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001359745346 1064318780 /nfs/dbraw/zinc/31/87/80/1064318780.db2.gz GUQFUFZMBIWESI-QFIPXVFZSA-N 0 0 463.022 4.579 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccsc2)C1 ZINC001359745469 1064318916 /nfs/dbraw/zinc/31/89/16/1064318916.db2.gz KEZBCQGSLFTANY-FTWJINIUSA-N 0 0 489.686 4.500 20 0 JJADRN COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC001434887320 1064319214 /nfs/dbraw/zinc/31/92/14/1064319214.db2.gz SZBXEVHAZASMKF-UHFFFAOYSA-N 0 0 453.516 4.538 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC001434887380 1064319348 /nfs/dbraw/zinc/31/93/48/1064319348.db2.gz OGSZNDOOVJGQHU-LJQANCHMSA-N 0 0 452.473 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CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 ZINC001359745654 1064320654 /nfs/dbraw/zinc/32/06/54/1064320654.db2.gz OICQCLDOXMUUHY-FWKCKQQBSA-N 0 0 489.705 4.982 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@](C)=O)CC2)CC1 ZINC001359745852 1064321343 /nfs/dbraw/zinc/32/13/43/1064321343.db2.gz SCRQQOWBIXIPMB-HKBQPEDESA-N 0 0 485.481 4.947 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1CC(F)(F)c1ccccc1 ZINC001545887130 1064321506 /nfs/dbraw/zinc/32/15/06/1064321506.db2.gz WGGQPJKGXFVOLK-UHFFFAOYSA-N 0 0 459.566 4.613 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001359746034 1064322018 /nfs/dbraw/zinc/32/20/18/1064322018.db2.gz XRUUOHXDGPZEBH-ISCCLHIJSA-N 0 0 489.705 4.862 20 0 JJADRN CC(C)[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2)C1 ZINC001359745961 1064322113 /nfs/dbraw/zinc/32/21/13/1064322113.db2.gz WCKOYCVFCBKZCP-JAXLGGSGSA-N 0 0 471.621 4.913 20 0 JJADRN 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ZINC001434896999 1064325223 /nfs/dbraw/zinc/32/52/23/1064325223.db2.gz NFEFVSREQHJNHF-ZHRRBRCNSA-N 0 0 452.942 4.953 20 0 JJADRN COc1ncc(/C=C/C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1 ZINC001434897609 1064325506 /nfs/dbraw/zinc/32/55/06/1064325506.db2.gz BFFOTSFPHYBJBT-VQHVLOKHSA-N 0 0 456.424 4.717 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(Cl)c1 ZINC001434898129 1064325986 /nfs/dbraw/zinc/32/59/86/1064325986.db2.gz ANVRIVYGPOXEDE-IBGZPJMESA-N 0 0 451.995 4.567 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC001434897953 1064326035 /nfs/dbraw/zinc/32/60/35/1064326035.db2.gz PBHHOTQQGIQMTK-JYFHCDHNSA-N 0 0 454.567 4.866 20 0 JJADRN CCO[C@@H](C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@H]1CCOC1 ZINC001434897961 1064326124 /nfs/dbraw/zinc/32/61/24/1064326124.db2.gz UUAILWDOHMSATR-OXJNMPFZSA-N 0 0 451.441 4.613 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC001434897954 1064326292 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JTMMPROVJSUNSP-UHFFFAOYSA-N 0 0 457.431 4.763 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)nn1-c1ccccc1Br ZINC001434899876 1064328102 /nfs/dbraw/zinc/32/81/02/1064328102.db2.gz WNPKWAABQDLJOP-GOSISDBHSA-N 0 0 456.340 4.753 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)nn1-c1ccccc1Br ZINC001434899880 1064328179 /nfs/dbraw/zinc/32/81/79/1064328179.db2.gz WNPKWAABQDLJOP-SFHVURJKSA-N 0 0 456.340 4.753 20 0 JJADRN Cn1c2ccccc2nc1[C@@H](NC(=O)Cc1ccc(Br)cc1F)c1ccccc1 ZINC001434899891 1064328368 /nfs/dbraw/zinc/32/83/68/1064328368.db2.gz NBAAZQUTNZQVTD-QFIPXVFZSA-N 0 0 452.327 4.923 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2C)CCS1 ZINC001359747528 1064328972 /nfs/dbraw/zinc/32/89/72/1064328972.db2.gz DEGCRMDCWCFBPQ-KPFFTGBYSA-N 0 0 479.488 4.958 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3(c4cccc(Br)c4)CCOCC3)c2c1 ZINC001434900913 1064328882 /nfs/dbraw/zinc/32/88/82/1064328882.db2.gz POGZVFYULNIAON-UHFFFAOYSA-N 0 0 459.315 4.586 20 0 JJADRN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccn(-c4ccccc4F)n3)c(C(F)(F)F)c2)n1 ZINC001434902600 1064330217 /nfs/dbraw/zinc/33/02/17/1064330217.db2.gz WBCWOBRURISSSE-UHFFFAOYSA-N 0 0 457.431 4.763 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC001359747755 1064330550 /nfs/dbraw/zinc/33/05/50/1064330550.db2.gz HWIQIUKANJNJSN-SIKLNZKXSA-N 0 0 493.618 4.988 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccn(-c4ccc(Br)cc4)n3)cc2)C[C@@H](C)O1 ZINC001434903543 1064331161 /nfs/dbraw/zinc/33/11/61/1064331161.db2.gz INIKUZVOFABCND-HZPDHXFCSA-N 0 0 455.356 4.501 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001434905039 1064332399 /nfs/dbraw/zinc/33/23/99/1064332399.db2.gz CCKWDLZUQWJTLE-FQEVSTJZSA-N 0 0 455.574 4.833 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC001434905275 1064332470 /nfs/dbraw/zinc/33/24/70/1064332470.db2.gz DUQQOBHXCSUZBB-UHFFFAOYSA-N 0 0 457.324 4.849 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cnnn1-c1cccc(F)c1 ZINC001434904713 1064332574 /nfs/dbraw/zinc/33/25/74/1064332574.db2.gz AALZLMDFFDLUQL-UHFFFAOYSA-N 0 0 451.477 4.686 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)OC(C)(C)C)CCS1 ZINC001359748148 1064332627 /nfs/dbraw/zinc/33/26/27/1064332627.db2.gz PHWGQWJUZQAXOE-HXUWFJFHSA-N 0 0 482.654 4.596 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCOCC2)CCO1 ZINC001359748197 1064333350 /nfs/dbraw/zinc/33/33/50/1064333350.db2.gz QNWSZLVJXGATJY-IBGZPJMESA-N 0 0 481.410 4.525 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCSCC(F)(F)F)CCO1 ZINC001359748352 1064334169 /nfs/dbraw/zinc/33/41/69/1064334169.db2.gz UCLZDVNACZIHEU-LBPRGKRZSA-N 0 0 499.422 4.926 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001359748450 1064334793 /nfs/dbraw/zinc/33/47/93/1064334793.db2.gz VYTGTOXLKZXDTA-KDOFPFPSSA-N 0 0 451.384 4.754 20 0 JJADRN Cc1cc(CNC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)ccc1Oc1ccc(F)cc1 ZINC001434908528 1064335338 /nfs/dbraw/zinc/33/53/38/1064335338.db2.gz UJFIZJFQMRUXDB-UHFFFAOYSA-N 0 0 456.464 4.971 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CCO1 ZINC001359748548 1064335386 /nfs/dbraw/zinc/33/53/86/1064335386.db2.gz YAGOGCIPPLHZCA-LJQANCHMSA-N 0 0 462.381 4.587 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(F)cn2)CCS1 ZINC001359748615 1064335540 /nfs/dbraw/zinc/33/55/40/1064335540.db2.gz AEGPNLBHOKCQNW-IBGZPJMESA-N 0 0 476.419 4.868 20 0 JJADRN C/C(=C\C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1cnccn1 ZINC001434911440 1064336825 /nfs/dbraw/zinc/33/68/25/1064336825.db2.gz ORLHDIDXJWELFW-UXBLZVDNSA-N 0 0 454.405 4.845 20 0 JJADRN O=C(NCCc1cc(Br)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC001434910715 1064336847 /nfs/dbraw/zinc/33/68/47/1064336847.db2.gz ROGOTSRZTYBCEV-CQSZACIVSA-N 0 0 457.137 4.576 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CCS1 ZINC001359749362 1064337234 /nfs/dbraw/zinc/33/72/34/1064337234.db2.gz PHKJFDUWAFPLTQ-JBACZVJFSA-N 0 0 486.686 4.563 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCS1 ZINC001359749393 1064337280 /nfs/dbraw/zinc/33/72/80/1064337280.db2.gz QEASNYAERYEBLN-RBUKOAKNSA-N 0 0 482.551 4.878 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CSc1ccc(Br)cc1C)c1ccc(F)cc1 ZINC001434911336 1064337637 /nfs/dbraw/zinc/33/76/37/1064337637.db2.gz RUTZTASQWMXWAX-KRWDZBQOSA-N 0 0 454.361 4.799 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001359749794 1064338090 /nfs/dbraw/zinc/33/80/90/1064338090.db2.gz ZHTISGGOAPAMBG-LJQANCHMSA-N 0 0 465.545 4.992 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 ZINC001434911551 1064338211 /nfs/dbraw/zinc/33/82/11/1064338211.db2.gz PGHVNFKTXBMUBJ-XMMPIXPASA-N 0 0 454.636 4.723 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCc2cc(Br)ccc2F)CCO1 ZINC001359749901 1064338495 /nfs/dbraw/zinc/33/84/95/1064338495.db2.gz BOUWELDGSYRGSQ-IBGZPJMESA-N 0 0 451.384 4.551 20 0 JJADRN Cn1nc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1C1CC1 ZINC001434912460 1064338904 /nfs/dbraw/zinc/33/89/04/1064338904.db2.gz UHBWVUIWWMCXEQ-UHFFFAOYSA-N 0 0 456.421 4.876 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2c(C)nn(C3CCOCC3)c2C)cc1 ZINC001434912439 1064339013 /nfs/dbraw/zinc/33/90/13/1064339013.db2.gz JXDUGIZPOSHGKN-XMMPIXPASA-N 0 0 451.542 4.713 20 0 JJADRN CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001434913032 1064339743 /nfs/dbraw/zinc/33/97/43/1064339743.db2.gz XAQOXLUGIMTMLH-UHFFFAOYSA-N 0 0 457.324 4.929 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC=CO2)CCS1 ZINC001359751475 1064340244 /nfs/dbraw/zinc/34/02/44/1064340244.db2.gz FDKNLAZLIMRQJO-LEWJYISDSA-N 0 0 491.702 4.663 20 0 JJADRN CCc1ccc([C@H](C)C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC001434914014 1064340318 /nfs/dbraw/zinc/34/03/18/1064340318.db2.gz SPPHMLMSIPQECB-QFIPXVFZSA-N 0 0 456.586 4.916 20 0 JJADRN O=C(CCSc1cccc(Cl)c1)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC001434913916 1064340507 /nfs/dbraw/zinc/34/05/07/1064340507.db2.gz CVOOUZGCXDLBGQ-UHFFFAOYSA-N 0 0 451.777 4.863 20 0 JJADRN CC[C@@]1(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001434914225 1064341189 /nfs/dbraw/zinc/34/11/89/1064341189.db2.gz UIDDPPYYDAJQBN-RUZDIDTESA-N 0 0 452.555 4.618 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cn(-c3cccc(Cl)c3)nn2)cc1 ZINC001434914351 1064341203 /nfs/dbraw/zinc/34/12/03/1064341203.db2.gz VPPGPAPRNYHJLI-QFIPXVFZSA-N 0 0 450.901 4.782 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001434914234 1064341251 /nfs/dbraw/zinc/34/12/51/1064341251.db2.gz UIDDPPYYDAJQBN-VWLOTQADSA-N 0 0 452.555 4.618 20 0 JJADRN CC(C)Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n(C)n1 ZINC001434914606 1064341309 /nfs/dbraw/zinc/34/13/09/1064341309.db2.gz DXVXKDVRDQXBNO-GOSISDBHSA-N 0 0 454.493 4.842 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CCS1 ZINC001359752748 1064341630 /nfs/dbraw/zinc/34/16/30/1064341630.db2.gz XJRUSEXBFSCZKH-QFIPXVFZSA-N 0 0 469.699 4.615 20 0 JJADRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC001434915044 1064341976 /nfs/dbraw/zinc/34/19/76/1064341976.db2.gz NEEPLVCCHJYQNE-LBPRGKRZSA-N 0 0 451.777 4.862 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCc2ccccc2OC(F)F)CCS1 ZINC001359753255 1064342403 /nfs/dbraw/zinc/34/24/03/1064342403.db2.gz FXRQFEGNHNWRRF-NRFANRHFSA-N 0 0 473.593 4.686 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001434915714 1064342828 /nfs/dbraw/zinc/34/28/28/1064342828.db2.gz MVQOXHDMIGLYAZ-IBGZPJMESA-N 0 0 452.570 4.984 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359753360 1064342950 /nfs/dbraw/zinc/34/29/50/1064342950.db2.gz IDCHHCBHLBHJEO-XZOQPEGZSA-N 0 0 485.101 4.798 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)c2)CCS1 ZINC001359753841 1064343650 /nfs/dbraw/zinc/34/36/50/1064343650.db2.gz RXODQPBRXBJYRY-FQEVSTJZSA-N 0 0 461.557 4.909 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001359754865 1064345594 /nfs/dbraw/zinc/34/55/94/1064345594.db2.gz NOBGURVNNPFZDS-DEOSSOPVSA-N 0 0 477.653 4.935 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC001359754684 1064345781 /nfs/dbraw/zinc/34/57/81/1064345781.db2.gz KCDCZXTVDLVMIK-NHCUHLMSSA-N 0 0 481.632 4.525 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC001359754685 1064345831 /nfs/dbraw/zinc/34/58/31/1064345831.db2.gz KCDCZXTVDLVMIK-RTWAWAEBSA-N 0 0 481.632 4.525 20 0 JJADRN CCc1c2ccccc2oc1C(=O)Nc1cc(Br)ccc1Sc1nnnn1C ZINC001434919384 1064346433 /nfs/dbraw/zinc/34/64/33/1064346433.db2.gz KURVYILQWCTXIQ-UHFFFAOYSA-N 0 0 458.341 4.685 20 0 JJADRN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001434920123 1064347262 /nfs/dbraw/zinc/34/72/62/1064347262.db2.gz OKDUUXKOWMZOJR-HSZRJFAPSA-N 0 0 455.624 4.828 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001434919804 1064347278 /nfs/dbraw/zinc/34/72/78/1064347278.db2.gz JCOLLQGACPDQIU-UHFFFAOYSA-N 0 0 456.333 4.928 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCSCC(F)(F)F)CCS1 ZINC001359755329 1064347805 /nfs/dbraw/zinc/34/78/05/1064347805.db2.gz XXZAAXHUHLMIHQ-GOSISDBHSA-N 0 0 474.618 4.773 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC001359755474 1064348554 /nfs/dbraw/zinc/34/85/54/1064348554.db2.gz ASFLRGFXHCBFKH-IERDGZPVSA-N 0 0 488.405 4.939 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1 ZINC001359755697 1064350152 /nfs/dbraw/zinc/35/01/52/1064350152.db2.gz FGQOQJQNXMVDGE-CTNGQTDRSA-N 0 0 474.049 4.549 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1 ZINC001359755691 1064350227 /nfs/dbraw/zinc/35/02/27/1064350227.db2.gz FDUDTEQJKFNGCL-QINHECLXSA-N 0 0 497.865 4.895 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC001434922151 1064350730 /nfs/dbraw/zinc/35/07/30/1064350730.db2.gz XXOUCBZRNBVRNL-UHFFFAOYSA-N 0 0 458.558 4.514 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCSC2)CCS1 ZINC001359755759 1064350931 /nfs/dbraw/zinc/35/09/31/1064350931.db2.gz FZSIDRYJDCLQDB-YSTOQKLRSA-N 0 0 495.759 4.770 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCSC2)CCS1 ZINC001359755757 1064350942 /nfs/dbraw/zinc/35/09/42/1064350942.db2.gz FZSIDRYJDCLQDB-HAGHYFMRSA-N 0 0 495.759 4.770 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2nc3cc(F)c(F)cc3s2)(C(F)(F)F)C1 ZINC001434923164 1064351298 /nfs/dbraw/zinc/35/12/98/1064351298.db2.gz ABQLENFTHBSJAY-QGZVFWFLSA-N 0 0 451.417 4.703 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)c(OCCOC(C)C)c1 ZINC001434923094 1064351393 /nfs/dbraw/zinc/35/13/93/1064351393.db2.gz WYFDFWSCOILADA-UHFFFAOYSA-N 0 0 459.543 4.775 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC001434924182 1064352221 /nfs/dbraw/zinc/35/22/21/1064352221.db2.gz DKAVOFWTXUXWON-SBUREZEXSA-N 0 0 459.970 4.989 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1cc(F)ccc1Sc1nccn1C)NC(=O)OC(C)(C)C ZINC001434923635 1064352236 /nfs/dbraw/zinc/35/22/36/1064352236.db2.gz YVWKCNCHSDPFEX-MRXNPFEDSA-N 0 0 450.580 4.978 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001359756211 1064352616 /nfs/dbraw/zinc/35/26/16/1064352616.db2.gz NSTNEKJVYVSEBV-APTRMMRNSA-N 0 0 488.698 4.815 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3ccc(OCC4CCCCC4)cc3)CC2=O)c1 ZINC001434925026 1064352889 /nfs/dbraw/zinc/35/28/89/1064352889.db2.gz OLVMUYIDTHEHFR-IBGZPJMESA-N 0 0 452.551 4.655 20 0 JJADRN Cc1cc(CNC(=O)c2ccccc2OCC(N)=O)ccc1Oc1ccc(Cl)cc1Cl ZINC001434924841 1064352952 /nfs/dbraw/zinc/35/29/52/1064352952.db2.gz RZCYZRKIRSONEJ-UHFFFAOYSA-N 0 0 459.329 4.888 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@]3(C)c3cccc(Br)c3)ccc21 ZINC001434924839 1064353034 /nfs/dbraw/zinc/35/30/34/1064353034.db2.gz RWLRRWNTTRDBRG-XXBNENTESA-N 0 0 455.352 4.883 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC001434925533 1064353615 /nfs/dbraw/zinc/35/36/15/1064353615.db2.gz CRHLMNKFMRGDTN-UHFFFAOYSA-N 0 0 450.720 4.713 20 0 JJADRN CCCN(C(=O)COc1ccc(Br)cc1Cl)[C@H](C)C(=O)Nc1ccccc1 ZINC001434925393 1064353651 /nfs/dbraw/zinc/35/36/51/1064353651.db2.gz UUDHZYJXGFNYTG-CQSZACIVSA-N 0 0 453.764 4.747 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC2CCCC2)CCO1 ZINC001359756527 1064354182 /nfs/dbraw/zinc/35/41/82/1064354182.db2.gz UCKCAPLEMDKELY-JOCHJYFZSA-N 0 0 463.022 4.721 20 0 JJADRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N(CCN1CCOCC1)c1ccccc1 ZINC001434926100 1064354479 /nfs/dbraw/zinc/35/44/79/1064354479.db2.gz GMLFUFYUWGHUSL-UHFFFAOYSA-N 0 0 450.966 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC001434926212 1064354529 /nfs/dbraw/zinc/35/45/29/1064354529.db2.gz RDLUPUJBWUSMAY-IFMALSPDSA-N 0 0 458.986 4.766 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CCO1 ZINC001359756574 1064354684 /nfs/dbraw/zinc/35/46/84/1064354684.db2.gz UXDIFADXQWCTSR-TYCQWZJGSA-N 0 0 496.574 4.847 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCOC(C)(C)C ZINC001359756653 1064354871 /nfs/dbraw/zinc/35/48/71/1064354871.db2.gz VZVXVONPUFNEKR-AZUAARDMSA-N 0 0 466.573 4.859 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC001434927949 1064355183 /nfs/dbraw/zinc/35/51/83/1064355183.db2.gz GWQSZUDZDSOBDD-QHCPKHFHSA-N 0 0 456.542 4.826 20 0 JJADRN Cc1cc(OCC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)ccc1Br ZINC001434928564 1064355770 /nfs/dbraw/zinc/35/57/70/1064355770.db2.gz GGIRBJKKGJGKGQ-UHFFFAOYSA-N 0 0 450.336 4.792 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001359757115 1064356206 /nfs/dbraw/zinc/35/62/06/1064356206.db2.gz CNKNNMNCFLEWDK-BDTNDASRSA-N 0 0 475.678 4.834 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001434928702 1064356392 /nfs/dbraw/zinc/35/63/92/1064356392.db2.gz SYSZWHKSWKXZQU-WMZOPIPTSA-N 0 0 453.421 4.924 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359757223 1064356840 /nfs/dbraw/zinc/35/68/40/1064356840.db2.gz FCLOTNKLNAGVOZ-DXIQSLLYSA-N 0 0 488.076 4.791 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359757224 1064356937 /nfs/dbraw/zinc/35/69/37/1064356937.db2.gz FCLOTNKLNAGVOZ-IPJJNNNSSA-N 0 0 488.076 4.791 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359757228 1064356978 /nfs/dbraw/zinc/35/69/78/1064356978.db2.gz FFDGUNWJNBBWNO-NQIIRXRSSA-N 0 0 470.415 4.800 20 0 JJADRN CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001434929851 1064357064 /nfs/dbraw/zinc/35/70/64/1064357064.db2.gz OCDBZWXYJHVEIF-QHCPKHFHSA-N 0 0 450.441 4.940 20 0 JJADRN COCCc1ccc(OCCCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1 ZINC001434930869 1064357518 /nfs/dbraw/zinc/35/75/18/1064357518.db2.gz BYHNNDHBOXGBMB-OAQYLSRUSA-N 0 0 452.595 4.996 20 0 JJADRN O=C(Cc1c(Cl)cccc1Br)Nc1ccccc1C(=O)NCc1cccnc1 ZINC001434931409 1064358406 /nfs/dbraw/zinc/35/84/06/1064358406.db2.gz SRIHQKYPUDNLEK-UHFFFAOYSA-N 0 0 458.743 4.609 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001359757538 1064358367 /nfs/dbraw/zinc/35/83/67/1064358367.db2.gz INPJPLSCTALZFS-TYPHKJRUSA-N 0 0 477.447 4.980 20 0 JJADRN Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)nc1 ZINC001434932311 1064358970 /nfs/dbraw/zinc/35/89/70/1064358970.db2.gz ZWRWAMMASOCAJC-UHFFFAOYSA-N 0 0 453.901 4.573 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCn1cccn1 ZINC001359757777 1064359165 /nfs/dbraw/zinc/35/91/65/1064359165.db2.gz LFTOPGXCELGCST-OXQOHEQNSA-N 0 0 463.413 4.646 20 0 JJADRN CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC001434933422 1064359229 /nfs/dbraw/zinc/35/92/29/1064359229.db2.gz QXIMHSXSJOLJDU-SGTLLEGYSA-N 0 0 452.370 4.966 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001359758564 1064360486 /nfs/dbraw/zinc/36/04/86/1064360486.db2.gz VVKZTFTXWKMSLK-WPYKKVEZSA-N 0 0 498.672 4.531 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1)c1cc(Cl)c(F)cc1Br ZINC001434935227 1064361124 /nfs/dbraw/zinc/36/11/24/1064361124.db2.gz OEXYXKJBOGVLRZ-UHFFFAOYSA-N 0 0 451.517 4.813 20 0 JJADRN CC(=O)N[C@H](C(=O)Nc1nc(C)c(Cc2ccccc2)s1)c1cccc(Br)c1 ZINC001434935481 1064361210 /nfs/dbraw/zinc/36/12/10/1064361210.db2.gz CQHYJAJMGJKXLQ-IBGZPJMESA-N 0 0 458.381 4.621 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001359759080 1064361185 /nfs/dbraw/zinc/36/11/85/1064361185.db2.gz CLIYGVQITVYYFY-WATLYSKOSA-N 0 0 470.658 4.688 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)Cc3cccc(Br)c3)c(=O)oc2c1 ZINC001434937341 1064362194 /nfs/dbraw/zinc/36/21/94/1064362194.db2.gz GFEIPCAURKXXHQ-HNNXBMFYSA-N 0 0 457.368 4.763 20 0 JJADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359759096 1064362227 /nfs/dbraw/zinc/36/22/27/1064362227.db2.gz CUQJKSZJOMILQU-XXBNENTESA-N 0 0 471.552 4.563 20 0 JJADRN Cc1c([C@H](C)NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1 ZINC001434938295 1064362587 /nfs/dbraw/zinc/36/25/87/1064362587.db2.gz UOUTYGAHRGLJFI-XUEUYAKLSA-N 0 0 458.578 4.971 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359759457 1064364160 /nfs/dbraw/zinc/36/41/60/1064364160.db2.gz IDRHEVNQTJJYMC-AUSIDOKSSA-N 0 0 484.442 4.724 20 0 JJADRN COc1cccc(OC)c1OC1CCN(C(=O)Cc2c3ccc(C)cc3oc2C(C)=O)CC1 ZINC001434941906 1064364382 /nfs/dbraw/zinc/36/43/82/1064364382.db2.gz DXNPDASFZUVHDB-UHFFFAOYSA-N 0 0 451.519 4.574 20 0 JJADRN CC(C)C[C@@H](C)N(C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2[nH]ccc2c1 ZINC001434945878 1064366439 /nfs/dbraw/zinc/36/64/39/1064366439.db2.gz RVJYKMVQVZFFNI-RTBURBONSA-N 0 0 455.624 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NCCCCOCc3ccccc3)o2)CC1 ZINC001434945275 1064366509 /nfs/dbraw/zinc/36/65/09/1064366509.db2.gz SEVOAOBZUGHTLU-UHFFFAOYSA-N 0 0 457.571 4.516 20 0 JJADRN CN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001434946103 1064366527 /nfs/dbraw/zinc/36/65/27/1064366527.db2.gz WIURGDBNIUJQNK-HSZRJFAPSA-N 0 0 452.436 4.886 20 0 JJADRN CSc1cc2c(cc1NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)OCCO2 ZINC001434945970 1064366639 /nfs/dbraw/zinc/36/66/39/1064366639.db2.gz UAUJKKVSYRIUTJ-CVEARBPZSA-N 0 0 450.601 4.982 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F ZINC001359760081 1064367190 /nfs/dbraw/zinc/36/71/90/1064367190.db2.gz OOBYVPIXWZATTO-DOTOQJQBSA-N 0 0 462.463 4.996 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359760225 1064367841 /nfs/dbraw/zinc/36/78/41/1064367841.db2.gz QTAUKBQOYZXRAT-HRAATJIYSA-N 0 0 470.511 4.836 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001434947442 1064368068 /nfs/dbraw/zinc/36/80/68/1064368068.db2.gz KQIUAXAJWNPIKB-UHFFFAOYSA-N 0 0 455.301 4.954 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1 ZINC001359760397 1064368430 /nfs/dbraw/zinc/36/84/30/1064368430.db2.gz SXYMTMWEFXTKFP-FXAWDEMLSA-N 0 0 464.452 4.734 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)c(OC(C)C)c1 ZINC001434948374 1064368736 /nfs/dbraw/zinc/36/87/36/1064368736.db2.gz CFBTYZJLROJREA-IBGZPJMESA-N 0 0 453.583 4.620 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3cccnc3SCC3CCCCC3)n[nH]2)c(OC)c1 ZINC001434948137 1064368781 /nfs/dbraw/zinc/36/87/81/1064368781.db2.gz QQCXPRROSVOPAF-UHFFFAOYSA-N 0 0 453.568 4.809 20 0 JJADRN CC[C@@H](C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC001434948300 1064369019 /nfs/dbraw/zinc/36/90/19/1064369019.db2.gz BPIVILONYSGXMK-IIBYNOLFSA-N 0 0 458.400 4.686 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359760715 1064369499 /nfs/dbraw/zinc/36/94/99/1064369499.db2.gz YGRBENYUQBKVQL-NFBKMPQASA-N 0 0 484.442 4.724 20 0 JJADRN CN(C(=O)C(F)(F)c1ccc(Br)cc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001434948770 1064369579 /nfs/dbraw/zinc/36/95/79/1064369579.db2.gz UJRKLAUWMUMGJR-GOSISDBHSA-N 0 0 452.274 4.662 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)Cc1ccc(Br)c(Br)c1 ZINC001434948667 1064369684 /nfs/dbraw/zinc/36/96/84/1064369684.db2.gz FCXWPIKTECFYER-UHFFFAOYSA-N 0 0 459.153 4.821 20 0 JJADRN O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(-n2cc(Br)cn2)cc1 ZINC001434949822 1064370228 /nfs/dbraw/zinc/37/02/28/1064370228.db2.gz MHNCNWKUVYKMDH-UHFFFAOYSA-N 0 0 455.356 4.671 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3c(Cl)nccc3C(F)(F)F)ccc21 ZINC001434949580 1064370268 /nfs/dbraw/zinc/37/02/68/1064370268.db2.gz ZNQFODYIQJIIPB-UHFFFAOYSA-N 0 0 452.864 4.829 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001359760987 1064370849 /nfs/dbraw/zinc/37/08/49/1064370849.db2.gz BNCJUXDTAIGVHM-DYESRHJHSA-N 0 0 460.985 4.559 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359761058 1064370862 /nfs/dbraw/zinc/37/08/62/1064370862.db2.gz CHLMSSZRULFWAB-LSDHHAIUSA-N 0 0 454.459 4.928 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)(C)C ZINC001359760944 1064370918 /nfs/dbraw/zinc/37/09/18/1064370918.db2.gz AVRZGSUWMGGDNF-IERDGZPVSA-N 0 0 480.028 4.540 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001359761055 1064370940 /nfs/dbraw/zinc/37/09/40/1064370940.db2.gz CHLMSSZRULFWAB-CABCVRRESA-N 0 0 454.459 4.928 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)(C)C ZINC001359760946 1064370952 /nfs/dbraw/zinc/37/09/52/1064370952.db2.gz AVRZGSUWMGGDNF-KKSFZXQISA-N 0 0 480.028 4.540 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC001434950574 1064371093 /nfs/dbraw/zinc/37/10/93/1064371093.db2.gz XFRVVPDGHNBRLQ-YTUBISENSA-N 0 0 458.961 4.801 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001434950367 1064371370 /nfs/dbraw/zinc/37/13/70/1064371370.db2.gz SFVUCNJVTUXIQN-FQEVSTJZSA-N 0 0 453.341 4.665 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001359761107 1064371586 /nfs/dbraw/zinc/37/15/86/1064371586.db2.gz CSKHAWHRAIJFLR-DYXWJJEUSA-N 0 0 477.447 4.632 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001359761554 1064372428 /nfs/dbraw/zinc/37/24/28/1064372428.db2.gz IRZNOYLKWZATET-JYFHCDHNSA-N 0 0 483.701 4.519 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001359761512 1064372533 /nfs/dbraw/zinc/37/25/33/1064372533.db2.gz IIPAUSWTKHXCCB-WOJBJXKFSA-N 0 0 451.537 4.960 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC001359761925 1064373674 /nfs/dbraw/zinc/37/36/74/1064373674.db2.gz NRRBUJJJBNWKBO-ONTIZHBOSA-N 0 0 478.584 4.861 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)cc1 ZINC001434955439 1064374412 /nfs/dbraw/zinc/37/44/12/1064374412.db2.gz OSCBPJZMABQOCT-MRXNPFEDSA-N 0 0 452.979 4.577 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)C1 ZINC001359762250 1064375263 /nfs/dbraw/zinc/37/52/63/1064375263.db2.gz RXDRCIHWKWWIQB-OXJNMPFZSA-N 0 0 495.437 4.913 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001434960765 1064375920 /nfs/dbraw/zinc/37/59/20/1064375920.db2.gz DFVNEEJETLUCHL-YCWMGOOZSA-N 0 0 461.322 4.817 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001359762499 1064376004 /nfs/dbraw/zinc/37/60/04/1064376004.db2.gz VNFOLLHESAAWSE-NFBKMPQASA-N 0 0 452.578 4.740 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccc(OC)cc3)s1)O[C@@H](C)C2 ZINC001434960021 1064376026 /nfs/dbraw/zinc/37/60/26/1064376026.db2.gz YMVRNAHXCDGZGY-AWEZNQCLSA-N 0 0 452.532 4.983 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359762867 1064377224 /nfs/dbraw/zinc/37/72/24/1064377224.db2.gz ZZAIKSRULJGVQZ-QPPBQGQZSA-N 0 0 491.076 4.809 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001434962034 1064377400 /nfs/dbraw/zinc/37/74/00/1064377400.db2.gz MNQBCXRDYAUKKZ-UHFFFAOYSA-N 0 0 453.029 4.557 20 0 JJADRN Cc1ccc(F)c(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c1Br ZINC001434961576 1064377447 /nfs/dbraw/zinc/37/74/47/1064377447.db2.gz HYSMETFFPPONPR-UHFFFAOYSA-N 0 0 451.336 4.851 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC(F)(F)CC2)c1 ZINC001359763033 1064378004 /nfs/dbraw/zinc/37/80/04/1064378004.db2.gz CHCSJHMOQJEPBJ-UHFFFAOYSA-N 0 0 456.541 4.552 20 0 JJADRN CS[C@@H](C)CCC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC001434963103 1064378798 /nfs/dbraw/zinc/37/87/98/1064378798.db2.gz CKORMPGPYJVLQM-ORAYPTAESA-N 0 0 453.377 4.916 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001434963928 1064378884 /nfs/dbraw/zinc/37/88/84/1064378884.db2.gz QYFMHZLQXIEDIW-HSZRJFAPSA-N 0 0 456.546 4.585 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CCC(F)(F)F ZINC001359763477 1064379483 /nfs/dbraw/zinc/37/94/83/1064379483.db2.gz KKNICDUQRJCPPT-RXVVDRJESA-N 0 0 454.537 4.739 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001359763288 1064379507 /nfs/dbraw/zinc/37/95/07/1064379507.db2.gz IGKGEFRXXBQPOY-AHKZPQOWSA-N 0 0 495.712 4.598 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359763392 1064379558 /nfs/dbraw/zinc/37/95/58/1064379558.db2.gz JHPRYPMXIPULRE-CVDCTZTESA-N 0 0 474.621 4.841 20 0 JJADRN Cc1sc(C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1Br ZINC001434964802 1064380435 /nfs/dbraw/zinc/38/04/35/1064380435.db2.gz NLNNCJFUEPXTPQ-UHFFFAOYSA-N 0 0 453.402 4.816 20 0 JJADRN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)c1 ZINC001359763789 1064380855 /nfs/dbraw/zinc/38/08/55/1064380855.db2.gz 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COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)CC(=O)N2C)cc1 ZINC001435020828 1064437710 /nfs/dbraw/zinc/43/77/10/1064437710.db2.gz YKYXGEQUZUWBSA-AUSIDOKSSA-N 0 0 451.910 4.694 20 0 JJADRN CC(C)Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001359784346 1064437820 /nfs/dbraw/zinc/43/78/20/1064437820.db2.gz YXMILGQBFXCYIA-IRLDBZIGSA-N 0 0 453.631 4.618 20 0 JJADRN CC(C)Cc1nnc(N(C)CCN(C)c2ccccc2)n1C[C@@]1(C)OCCc2sccc21 ZINC001359784492 1064437893 /nfs/dbraw/zinc/43/78/93/1064437893.db2.gz DJZUQRMTUQWBNG-RUZDIDTESA-N 0 0 453.656 4.599 20 0 JJADRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1ccc(C(C)=O)cc1F)CCC2 ZINC001435020913 1064438610 /nfs/dbraw/zinc/43/86/10/1064438610.db2.gz LORAEGXEQPQZLG-UHFFFAOYSA-N 0 0 451.450 4.580 20 0 JJADRN CC(C)Cc1nnc(N(C)CCc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC001359784956 1064438885 /nfs/dbraw/zinc/43/88/85/1064438885.db2.gz ULDQKGHWIMBIRQ-SFTDATJTSA-N 0 0 473.637 4.969 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001359785236 1064438966 /nfs/dbraw/zinc/43/89/66/1064438966.db2.gz FQHBULHSVRLWKM-QGZVFWFLSA-N 0 0 457.619 4.761 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)/C=C\c3ccc(C(N)=O)o3)cc2)CC1 ZINC001435023926 1064441188 /nfs/dbraw/zinc/44/11/88/1064441188.db2.gz MOIJRFWFZQLOEN-PEZBUJJGSA-N 0 0 451.567 4.643 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CCc3ccccc3)C3CCCC3)cc2)C1 ZINC001435023992 1064441236 /nfs/dbraw/zinc/44/12/36/1064441236.db2.gz WMKYHZWBDHFTLC-NRFANRHFSA-N 0 0 454.636 4.735 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435024482 1064442059 /nfs/dbraw/zinc/44/20/59/1064442059.db2.gz JZWKZXFASRKSFH-UHFFFAOYSA-N 0 0 455.514 4.733 20 0 JJADRN COc1cccc(OC(F)(F)F)c1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435024958 1064442126 /nfs/dbraw/zinc/44/21/26/1064442126.db2.gz PXJVIWHKHJMBLQ-UHFFFAOYSA-N 0 0 459.420 4.881 20 0 JJADRN COc1ccc(NC(=O)c2ccn(CC(F)(F)F)n2)cc1OCc1ccc2ccccc2n1 ZINC001435025351 1064443059 /nfs/dbraw/zinc/44/30/59/1064443059.db2.gz IKOHWYCEIBJXFM-UHFFFAOYSA-N 0 0 456.424 4.834 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl ZINC001435025426 1064443150 /nfs/dbraw/zinc/44/31/50/1064443150.db2.gz UJBOJFQXEYMVTD-UHFFFAOYSA-N 0 0 457.910 4.900 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3sccc3[C@H]2CC)n1CC1(CC)CCOCC1 ZINC001545888246 1064443829 /nfs/dbraw/zinc/44/38/29/1064443829.db2.gz DUEHHXFNXWOXDZ-HXUWFJFHSA-N 0 0 473.687 4.979 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001359788903 1064444830 /nfs/dbraw/zinc/44/48/30/1064444830.db2.gz JRNCDTKXYXLTGV-YLJYHZDGSA-N 0 0 475.515 4.868 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c(C)c1Br ZINC001359789141 1064444854 /nfs/dbraw/zinc/44/48/54/1064444854.db2.gz COLWEKOLEOMDQD-UHFFFAOYSA-N 0 0 455.194 4.811 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCc1ccccc1F ZINC001359789426 1064445567 /nfs/dbraw/zinc/44/55/67/1064445567.db2.gz OCBQKYRCANSLGG-RXVVDRJESA-N 0 0 459.610 4.598 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1 ZINC001435029659 1064447181 /nfs/dbraw/zinc/44/71/81/1064447181.db2.gz AOOKTQGDDOYTNT-UHFFFAOYSA-N 0 0 452.308 4.669 20 0 JJADRN O=C(Nc1cc(I)ccc1Br)c1ccc2ccncc2c1 ZINC001435030764 1064447201 /nfs/dbraw/zinc/44/72/01/1064447201.db2.gz XGDKPOHYRRGXIP-UHFFFAOYSA-N 0 0 453.077 4.854 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001359791059 1064448105 /nfs/dbraw/zinc/44/81/05/1064448105.db2.gz YGTVUFCXUKTSKF-CYBMUJFWSA-N 0 0 456.153 4.668 20 0 JJADRN COc1ccc(NC(=O)Cn2cc(NC(=O)C3(c4c(Cl)cccc4Cl)CC3)cn2)cc1 ZINC001435031415 1064448362 /nfs/dbraw/zinc/44/83/62/1064448362.db2.gz JPFIHBSGBPVOOS-UHFFFAOYSA-N 0 0 459.333 4.508 20 0 JJADRN CC(C)Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1CCCc1cnn(C)c1 ZINC001359791358 1064448355 /nfs/dbraw/zinc/44/83/55/1064448355.db2.gz CDHZPRQFOGXSST-QGZVFWFLSA-N 0 0 471.447 4.729 20 0 JJADRN O=C(OCc1ccc(Br)cc1)c1ccccc1OC(=O)[C@H]1COc2ccccc21 ZINC001435031720 1064449352 /nfs/dbraw/zinc/44/93/52/1064449352.db2.gz SNYFMOBBGFERRR-IBGZPJMESA-N 0 0 453.288 4.888 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359792137 1064449430 /nfs/dbraw/zinc/44/94/30/1064449430.db2.gz HWFGLAPXPJQOBN-QUCCMNQESA-N 0 0 493.599 4.603 20 0 JJADRN CCC(CC)(CNC(=O)Cc1cccc(OCC(=O)NC)c1)c1ccc(Cl)c(Cl)c1 ZINC001435031830 1064449417 /nfs/dbraw/zinc/44/94/17/1064449417.db2.gz AEJHDSBAIDPJLR-UHFFFAOYSA-N 0 0 451.394 4.535 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359792848 1064450178 /nfs/dbraw/zinc/45/01/78/1064450178.db2.gz POBRFBWFHBKGEK-MOPGFXCFSA-N 0 0 457.619 4.520 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC001359793526 1064451045 /nfs/dbraw/zinc/45/10/45/1064451045.db2.gz LQPQHWIWVAHHEV-GOSISDBHSA-N 0 0 458.990 4.720 20 0 JJADRN CCN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001435034209 1064451068 /nfs/dbraw/zinc/45/10/68/1064451068.db2.gz GPZSNRMRFSFIAL-DEOSSOPVSA-N 0 0 455.480 4.647 20 0 JJADRN CCOc1ccc(N(C(=O)/C=C/c2cnc(C)s2)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435034420 1064452058 /nfs/dbraw/zinc/45/20/58/1064452058.db2.gz QLXCKRAEDCFDCS-CMDGGOBGSA-N 0 0 453.530 4.923 20 0 JJADRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001435036396 1064452622 /nfs/dbraw/zinc/45/26/22/1064452622.db2.gz NMIKDSWICNVBIC-HNNXBMFYSA-N 0 0 457.543 4.521 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1[C@@H]1C[C@H]1C ZINC001545888323 1064452651 /nfs/dbraw/zinc/45/26/51/1064452651.db2.gz HONDQERDYUOYBT-VGOFRKELSA-N 0 0 453.631 4.765 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359795243 1064453717 /nfs/dbraw/zinc/45/37/17/1064453717.db2.gz GDQLPFCNIRCKEA-UHFFFAOYSA-N 0 0 477.575 4.750 20 0 JJADRN O=C(NCc1cccc(COC2CCOCC2)c1)c1cc2c(Br)cccc2cn1 ZINC001435039002 1064455482 /nfs/dbraw/zinc/45/54/82/1064455482.db2.gz MNQGTZCFRDXLLR-UHFFFAOYSA-N 0 0 455.352 4.623 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)Cc2ccc(Br)s2)c1 ZINC001435038944 1064455554 /nfs/dbraw/zinc/45/55/54/1064455554.db2.gz FRFVDDYHOZIISA-UHFFFAOYSA-N 0 0 455.374 4.595 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)c1ccccc1 ZINC001435039899 1064456211 /nfs/dbraw/zinc/45/62/11/1064456211.db2.gz HBRFYAKXOQLGBW-NDEPHWFRSA-N 0 0 459.542 4.605 20 0 JJADRN COc1cccc(CCC(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)c1OC ZINC001435039361 1064456448 /nfs/dbraw/zinc/45/64/48/1064456448.db2.gz XPGQJIIVILAESF-UHFFFAOYSA-N 0 0 450.560 4.591 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cccc(COC2CCOCC2)c1 ZINC001435040223 1064457267 /nfs/dbraw/zinc/45/72/67/1064457267.db2.gz UIUYQNLFAVRHHN-UHFFFAOYSA-N 0 0 456.489 4.564 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCSC(F)(F)F ZINC001359797051 1064458057 /nfs/dbraw/zinc/45/80/57/1064458057.db2.gz SZZZXMFHRVWXKH-UHFFFAOYSA-N 0 0 455.550 4.585 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359797162 1064458785 /nfs/dbraw/zinc/45/87/85/1064458785.db2.gz WJOKNXVPNZGJJX-XERBYJISSA-N 0 0 481.685 4.950 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC001435042693 1064458893 /nfs/dbraw/zinc/45/88/93/1064458893.db2.gz GJGYPQMVUBAYNF-LJQANCHMSA-N 0 0 458.603 4.994 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCOC1CCCCCC1 ZINC001359797091 1064458877 /nfs/dbraw/zinc/45/88/77/1064458877.db2.gz UJGWNTNZERVBJL-JOCHJYFZSA-N 0 0 467.658 4.705 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359797146 1064458908 /nfs/dbraw/zinc/45/89/08/1064458908.db2.gz WDTUKEVOHRUWMJ-GOSISDBHSA-N 0 0 451.606 4.577 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC001435042692 1064459077 /nfs/dbraw/zinc/45/90/77/1064459077.db2.gz GJGYPQMVUBAYNF-IBGZPJMESA-N 0 0 458.603 4.994 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3ccc(OCC(F)F)nc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001359797436 1064459885 /nfs/dbraw/zinc/45/98/85/1064459885.db2.gz DIUZPXZIORSYOI-STQMWFEESA-N 0 0 459.415 4.610 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)COc3cccc4cccnc43)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001359797859 1064460717 /nfs/dbraw/zinc/46/07/17/1064460717.db2.gz QGFMFXWKTBNFJY-HZPDHXFCSA-N 0 0 459.468 4.885 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001435043678 1064460999 /nfs/dbraw/zinc/46/09/99/1064460999.db2.gz KFOPXVHQGFLVPT-ZDUSSCGKSA-N 0 0 452.445 4.559 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cc2c(cncc2Br)s1 ZINC001435046857 1064462625 /nfs/dbraw/zinc/46/26/25/1064462625.db2.gz UERNNIMPCSPWME-UHFFFAOYSA-N 0 0 456.406 4.872 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001435046499 1064462698 /nfs/dbraw/zinc/46/26/98/1064462698.db2.gz JTSDWUOTQVVRBV-FQEVSTJZSA-N 0 0 455.327 4.876 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cs1 ZINC001435046559 1064462737 /nfs/dbraw/zinc/46/27/37/1064462737.db2.gz KAFLPRFNGKRCHN-NRFANRHFSA-N 0 0 457.555 4.799 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001435046614 1064462944 /nfs/dbraw/zinc/46/29/44/1064462944.db2.gz KCJSGJWTKZLEED-GBXCKJPGSA-N 0 0 450.023 4.600 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359798969 1064463942 /nfs/dbraw/zinc/46/39/42/1064463942.db2.gz VCTGIOJCSQFGIO-FGZHOGPDSA-N 0 0 488.982 4.567 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCOc1ccc2c(c1)OCO2 ZINC001359798857 1064464070 /nfs/dbraw/zinc/46/40/70/1064464070.db2.gz RPGCULWYWMGDQP-UHFFFAOYSA-N 0 0 494.436 4.605 20 0 JJADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001359799095 1064465003 /nfs/dbraw/zinc/46/50/03/1064465003.db2.gz ANJIWSFTLDBPSB-OPAMFIHVSA-N 0 0 459.512 4.617 20 0 JJADRN CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC001359799488 1064465910 /nfs/dbraw/zinc/46/59/10/1064465910.db2.gz JHYFGKXHNOGVQG-HXUWFJFHSA-N 0 0 453.029 4.776 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435049138 1064466240 /nfs/dbraw/zinc/46/62/40/1064466240.db2.gz JYRKFUBNOOWERP-NFQMXDRXSA-N 0 0 459.590 4.988 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cs1 ZINC001435048912 1064466292 /nfs/dbraw/zinc/46/62/92/1064466292.db2.gz IJWMJPKSQZCLBD-UHFFFAOYSA-N 0 0 451.548 4.666 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCSC1(C)C ZINC001359800859 1064467744 /nfs/dbraw/zinc/46/77/44/1064467744.db2.gz LOVFGOFRXIXYRR-GOSISDBHSA-N 0 0 465.708 4.892 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)COc1ccccc1C(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435050213 1064468078 /nfs/dbraw/zinc/46/80/78/1064468078.db2.gz UFAJFQHXADHEBM-RXFWQSSRSA-N 0 0 451.611 4.959 20 0 JJADRN CCc1cc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)ccc1Br ZINC001435050655 1064468126 /nfs/dbraw/zinc/46/81/26/1064468126.db2.gz ADEINHARXZCTEN-UHFFFAOYSA-N 0 0 452.356 4.900 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COc1ccccc1C(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435050211 1064468140 /nfs/dbraw/zinc/46/81/40/1064468140.db2.gz UFAJFQHXADHEBM-FQRUVTKNSA-N 0 0 451.611 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359802518 1064470752 /nfs/dbraw/zinc/47/07/52/1064470752.db2.gz QEOFTOCBDHOBBQ-LJQANCHMSA-N 0 0 477.506 4.994 20 0 JJADRN O=C(c1cc2cc(Br)ccc2o1)N1CCC(n2cc(Br)cn2)CC1 ZINC001435052200 1064471221 /nfs/dbraw/zinc/47/12/21/1064471221.db2.gz LRZCHIWFZLUALD-UHFFFAOYSA-N 0 0 453.134 4.632 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccco3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359802824 1064471468 /nfs/dbraw/zinc/47/14/68/1064471468.db2.gz WOUWQCAGQQVNEK-CYBMUJFWSA-N 0 0 456.900 4.518 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)o2)cc1 ZINC001435053334 1064471884 /nfs/dbraw/zinc/47/18/84/1064471884.db2.gz PZSGWWOWBGWUOE-UHFFFAOYSA-N 0 0 457.486 4.813 20 0 JJADRN CCC[C@H](CC)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC001359803225 1064472869 /nfs/dbraw/zinc/47/28/69/1064472869.db2.gz DRGYEGWAGZLGRC-NRFANRHFSA-N 0 0 454.592 4.739 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC001435054877 1064472969 /nfs/dbraw/zinc/47/29/69/1064472969.db2.gz CGMCLBINAKZFMM-KRWDZBQOSA-N 0 0 455.194 4.889 20 0 JJADRN CN(C)C(=O)Sc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC001435054909 1064473044 /nfs/dbraw/zinc/47/30/44/1064473044.db2.gz MLCBUAMSFMGUPV-GFCCVEGCSA-N 0 0 452.363 4.759 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359804852 1064473441 /nfs/dbraw/zinc/47/34/41/1064473441.db2.gz HDBYAMFAMXLXPG-UHFFFAOYSA-N 0 0 456.563 4.841 20 0 JJADRN CCC[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)N1CCc2sccc2C1 ZINC001359805795 1064475088 /nfs/dbraw/zinc/47/50/88/1064475088.db2.gz GKLWROYAWDGWQG-LJQANCHMSA-N 0 0 452.542 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CC(C)C)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001359805915 1064475120 /nfs/dbraw/zinc/47/51/20/1064475120.db2.gz REQBPDPYGAFIEL-GGAORHGYSA-N 0 0 453.631 4.515 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001359805762 1064475328 /nfs/dbraw/zinc/47/53/28/1064475328.db2.gz QPRPHESZJRJBRQ-UHFFFAOYSA-N 0 0 460.548 4.939 20 0 JJADRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1 ZINC001435057317 1064475579 /nfs/dbraw/zinc/47/55/79/1064475579.db2.gz OMOIUCIISFYABL-UHFFFAOYSA-N 0 0 454.456 4.907 20 0 JJADRN COc1ccc(CNC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1OC1CCCC1 ZINC001435056936 1064475670 /nfs/dbraw/zinc/47/56/70/1064475670.db2.gz UJUOMLOZPLMOLP-UHFFFAOYSA-N 0 0 450.457 4.924 20 0 JJADRN CC(C)[C@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435057888 1064476379 /nfs/dbraw/zinc/47/63/79/1064476379.db2.gz YXFZYTPSTPGPIY-MNEFBYGVSA-N 0 0 459.543 4.679 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccnn3C)CC2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359806926 1064477212 /nfs/dbraw/zinc/47/72/12/1064477212.db2.gz XWFOCMKUIFNHKF-UHFFFAOYSA-N 0 0 490.574 4.721 20 0 JJADRN CCn1cc(Br)c(C(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC001359807136 1064477318 /nfs/dbraw/zinc/47/73/18/1064477318.db2.gz UIFPHTJMQMQMLC-KRWDZBQOSA-N 0 0 456.384 4.914 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC001435058924 1064477224 /nfs/dbraw/zinc/47/72/24/1064477224.db2.gz COIPJOATTWFRCO-AUUYWEPGSA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC001435058926 1064477380 /nfs/dbraw/zinc/47/73/80/1064477380.db2.gz COIPJOATTWFRCO-KUHUBIRLSA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(C)c(Br)c(Cl)c1 ZINC001435059863 1064478044 /nfs/dbraw/zinc/47/80/44/1064478044.db2.gz IEULHGYCLHHRNA-MRXNPFEDSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C ZINC001435059174 1064478087 /nfs/dbraw/zinc/47/80/87/1064478087.db2.gz CGONVELYRZEMKI-GOSISDBHSA-N 0 0 459.543 4.859 20 0 JJADRN O=C(CCOc1ccccc1-c1ccccc1)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001435060234 1064478940 /nfs/dbraw/zinc/47/89/40/1064478940.db2.gz KXULTSUAMQORKJ-QFIPXVFZSA-N 0 0 450.535 4.802 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCN(C)c1ccccc1 ZINC001359808264 1064479685 /nfs/dbraw/zinc/47/96/85/1064479685.db2.gz LGCKTAAKLWWTDJ-QFIPXVFZSA-N 0 0 484.689 4.696 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCc2ccccc21 ZINC001359808170 1064479753 /nfs/dbraw/zinc/47/97/53/1064479753.db2.gz JPYSYSJNAPAIIH-JOCHJYFZSA-N 0 0 496.700 4.623 20 0 JJADRN CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(OC)cc1 ZINC001359808511 1064480841 /nfs/dbraw/zinc/48/08/41/1064480841.db2.gz YWCQDDZKHKVHLU-XLIONFOSSA-N 0 0 459.384 4.858 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)CCc2cc(Br)ccc2F)C2CC2)nc1C ZINC001435062928 1064481700 /nfs/dbraw/zinc/48/17/00/1064481700.db2.gz DINBVMYEACWPJZ-UHFFFAOYSA-N 0 0 455.349 4.658 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)c2sc(-c3ccc(OC)cc3)nc2C)C2CC2)nc1C ZINC001435064128 1064483552 /nfs/dbraw/zinc/48/35/52/1064483552.db2.gz IKUUMTUYTRFQIM-UHFFFAOYSA-N 0 0 457.577 4.878 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)cc1C ZINC001435065205 1064484145 /nfs/dbraw/zinc/48/41/45/1064484145.db2.gz PKPGTXBWOWZKOM-CRAIPNDOSA-N 0 0 452.498 4.630 20 0 JJADRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCCN(C(=O)OC(C)(C)C)C3CC3)c12 ZINC001359809720 1064484157 /nfs/dbraw/zinc/48/41/57/1064484157.db2.gz ADVSQKJJSIXWNU-UHFFFAOYSA-N 0 0 456.587 4.818 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](COc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359809696 1064484286 /nfs/dbraw/zinc/48/42/86/1064484286.db2.gz ZKIVRDCLJNDOSZ-GOSISDBHSA-N 0 0 470.415 4.588 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC001359810583 1064485183 /nfs/dbraw/zinc/48/51/83/1064485183.db2.gz SUNUAXCRUAOIAH-UHFFFAOYSA-N 0 0 457.118 4.634 20 0 JJADRN Cc1cc2cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)oc2c(Br)c1 ZINC001435065917 1064485173 /nfs/dbraw/zinc/48/51/73/1064485173.db2.gz HBOOIFNILGTNQR-NRFANRHFSA-N 0 0 451.361 4.927 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(NC3CC3)nc2)c2ccccc2)cc1Br ZINC001359810953 1064485920 /nfs/dbraw/zinc/48/59/20/1064485920.db2.gz YYBGWQMXKNGJIN-JOCHJYFZSA-N 0 0 452.352 4.946 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)c2ccccc2)cc1Br ZINC001359810975 1064485951 /nfs/dbraw/zinc/48/59/51/1064485951.db2.gz ZJYPMILCALBDFT-UGKGYDQZSA-N 0 0 453.336 4.683 20 0 JJADRN CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435066127 1064486003 /nfs/dbraw/zinc/48/60/03/1064486003.db2.gz GGYCBNQMLXVWGD-CYFREDJKSA-N 0 0 451.929 4.865 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCCN(C)c1ccccc1 ZINC001359811469 1064486714 /nfs/dbraw/zinc/48/67/14/1064486714.db2.gz OYMDZAUJRAJFBO-HSZRJFAPSA-N 0 0 484.689 4.839 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001435066167 1064486912 /nfs/dbraw/zinc/48/69/12/1064486912.db2.gz IEJGKOOTFUPNMI-JOCHJYFZSA-N 0 0 453.674 4.838 20 0 JJADRN CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001435067713 1064488363 /nfs/dbraw/zinc/48/83/63/1064488363.db2.gz MATRPQFNHNTATF-IAPPQJPRSA-N 0 0 455.602 4.809 20 0 JJADRN CN(c1ccc(CNC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1)S(C)(=O)=O ZINC001435067882 1064488459 /nfs/dbraw/zinc/48/84/59/1064488459.db2.gz ZMGVYYIVLMKVEE-UHFFFAOYSA-N 0 0 455.407 4.517 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001359812204 1064489330 /nfs/dbraw/zinc/48/93/30/1064489330.db2.gz JQNNUQQKPHEWAX-UHFFFAOYSA-N 0 0 469.674 4.581 20 0 JJADRN CCCC(=O)N1CSC[C@H]1C(=O)N(CC)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC001359813633 1064490351 /nfs/dbraw/zinc/49/03/51/1064490351.db2.gz AEAZNJRIUZDZFI-NZQKXSOJSA-N 0 0 453.633 4.936 20 0 JJADRN CC(C)OCCOCc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 ZINC001359813402 1064490388 /nfs/dbraw/zinc/49/03/88/1064490388.db2.gz UFHGETIWIVEZGY-DEOSSOPVSA-N 0 0 454.567 4.758 20 0 JJADRN CCN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001435068721 1064490355 /nfs/dbraw/zinc/49/03/55/1064490355.db2.gz SRBDNKAWWUOXSI-JOCHJYFZSA-N 0 0 458.530 4.779 20 0 JJADRN CCCCOc1c(Cl)cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1OC ZINC001435068709 1064490592 /nfs/dbraw/zinc/49/05/92/1064490592.db2.gz QKELMDXZIIWQBL-QHCPKHFHSA-N 0 0 454.995 4.951 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435069463 1064491190 /nfs/dbraw/zinc/49/11/90/1064491190.db2.gz YVKPGLDQQOTXQJ-HOYKHHGWSA-N 0 0 451.929 4.865 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCc1ccccc1 ZINC001359814458 1064491763 /nfs/dbraw/zinc/49/17/63/1064491763.db2.gz GFJWAOPDPWTBDA-UHFFFAOYSA-N 0 0 451.640 4.570 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001359814502 1064491823 /nfs/dbraw/zinc/49/18/23/1064491823.db2.gz ICVNZQHYNIZBTE-LJQANCHMSA-N 0 0 477.650 4.653 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001359814501 1064491949 /nfs/dbraw/zinc/49/19/49/1064491949.db2.gz ICVNZQHYNIZBTE-IBGZPJMESA-N 0 0 477.650 4.653 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCOc2ccccc21 ZINC001359814535 1064491961 /nfs/dbraw/zinc/49/19/61/1064491961.db2.gz JJOYDHSPVCPIIR-IBGZPJMESA-N 0 0 469.630 4.536 20 0 JJADRN C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001435070248 1064491952 /nfs/dbraw/zinc/49/19/52/1064491952.db2.gz YGDJATYMYQREJE-SAPNQHFASA-N 0 0 456.974 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Nc3cccnn3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359814554 1064492730 /nfs/dbraw/zinc/49/27/30/1064492730.db2.gz JWZZGDCCVYIACJ-UHFFFAOYSA-N 0 0 465.568 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001435070779 1064492960 /nfs/dbraw/zinc/49/29/60/1064492960.db2.gz BXABGGJFILYUER-RTBURBONSA-N 0 0 456.543 4.548 20 0 JJADRN O=C(Cc1cccc(OCc2ccccc2Cl)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC001435071031 1064492974 /nfs/dbraw/zinc/49/29/74/1064492974.db2.gz DGGGJRSPISJNGE-UHFFFAOYSA-N 0 0 450.966 4.932 20 0 JJADRN O=C(CCS(=O)(=O)C1CCCC1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435070762 1064493038 /nfs/dbraw/zinc/49/30/38/1064493038.db2.gz BTKWORBJUPELSB-OAHLLOKOSA-N 0 0 457.308 4.733 20 0 JJADRN COc1ccc(CN(C(=O)Cc2c(C)nn(C(F)F)c2C)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001435071439 1064493790 /nfs/dbraw/zinc/49/37/90/1064493790.db2.gz IHVSCUGNVFZIKJ-UHFFFAOYSA-N 0 0 453.493 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCc1ccccc1Cl ZINC001359815078 1064494716 /nfs/dbraw/zinc/49/47/16/1064494716.db2.gz VAROBEGCQPIDNY-UHFFFAOYSA-N 0 0 462.038 4.866 20 0 JJADRN CCN(C(=O)c1cc(C)nc2cc(Br)ccc21)[C@H]1CCN(c2ccccc2)C1=O ZINC001435073022 1064494690 /nfs/dbraw/zinc/49/46/90/1064494690.db2.gz PNEAQFIIMFQLPE-NRFANRHFSA-N 0 0 452.352 4.573 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001359815223 1064495539 /nfs/dbraw/zinc/49/55/39/1064495539.db2.gz YHCBKGKETOWROB-IBGZPJMESA-N 0 0 463.573 4.740 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCc1cccc(F)c1 ZINC001359815285 1064495557 /nfs/dbraw/zinc/49/55/57/1064495557.db2.gz ZOFUYNRYOZGUBW-UHFFFAOYSA-N 0 0 459.610 4.742 20 0 JJADRN O=C(COc1ccc(Br)cc1F)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001435073319 1064495663 /nfs/dbraw/zinc/49/56/63/1064495663.db2.gz WFEILYAHZIRJFF-UHFFFAOYSA-N 0 0 458.283 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2coc3c2C(=O)CCC3)C1 ZINC001435074133 1064496335 /nfs/dbraw/zinc/49/63/35/1064496335.db2.gz KVFDCUAPYIYSNH-IBGZPJMESA-N 0 0 452.551 4.841 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359815448 1064496374 /nfs/dbraw/zinc/49/63/74/1064496374.db2.gz KYUOXWMSQGHTNW-UHFFFAOYSA-N 0 0 480.556 4.639 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCc1ccc(Br)s1 ZINC001359815351 1064496396 /nfs/dbraw/zinc/49/63/96/1064496396.db2.gz IYWWUOWSWJDSBL-JOCHJYFZSA-N 0 0 493.446 4.780 20 0 JJADRN CC(=O)N[C@H](C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)c1cccc(Br)c1 ZINC001435073709 1064496409 /nfs/dbraw/zinc/49/64/09/1064496409.db2.gz FOIAFUDUENZPSU-YJYMSZOUSA-N 0 0 458.381 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC(C)C)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359815707 1064497128 /nfs/dbraw/zinc/49/71/28/1064497128.db2.gz SISXWNVAPALAQI-UHFFFAOYSA-N 0 0 459.601 4.535 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N(CC(C)(C)C)CC(F)(F)F)nnc1-c1ccccc1 ZINC001435075522 1064497180 /nfs/dbraw/zinc/49/71/80/1064497180.db2.gz QVHFGPGGOLUOPC-HNNXBMFYSA-N 0 0 458.550 4.682 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1NC(=O)Nc1ccccc1 ZINC001435075218 1064497302 /nfs/dbraw/zinc/49/73/02/1064497302.db2.gz VRFUZFHXMBOMLU-HXUWFJFHSA-N 0 0 450.489 4.926 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC001359816102 1064498025 /nfs/dbraw/zinc/49/80/25/1064498025.db2.gz DTXFORZNQSUKCN-UXHICEINSA-N 0 0 480.483 4.905 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001359816769 1064498887 /nfs/dbraw/zinc/49/88/87/1064498887.db2.gz MJFIOKDQXKTQTI-IUODEOHRSA-N 0 0 453.427 4.607 20 0 JJADRN C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(Br)c2I)C1 ZINC001435076506 1064499105 /nfs/dbraw/zinc/49/91/05/1064499105.db2.gz QHQYMLYVJHJLQV-LLVKDONJSA-N 0 0 456.121 4.893 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)N(C)CCc3ccc(Br)cc3)CC2=O)cc1 ZINC001435076208 1064499066 /nfs/dbraw/zinc/49/90/66/1064499066.db2.gz SIXIYMMYMGBJAB-HXUWFJFHSA-N 0 0 457.412 4.846 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001359816771 1064499065 /nfs/dbraw/zinc/49/90/65/1064499065.db2.gz MJFIOKDQXKTQTI-WFASDCNBSA-N 0 0 453.427 4.607 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1nc(-c2ccccc2)cs1 ZINC001435076538 1064500056 /nfs/dbraw/zinc/50/00/56/1064500056.db2.gz PBZQTIBNOAWDGT-IRWQIABSSA-N 0 0 458.381 4.923 20 0 JJADRN CCOc1cccc(N2CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)n1 ZINC001435078873 1064500836 /nfs/dbraw/zinc/50/08/36/1064500836.db2.gz KXBOICRMJGGVSP-DEOSSOPVSA-N 0 0 451.954 4.603 20 0 JJADRN CC(=O)Nc1cccc(OCCNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1 ZINC001435078421 1064500873 /nfs/dbraw/zinc/50/08/73/1064500873.db2.gz GNGGDQLOPPLOAU-UHFFFAOYSA-N 0 0 459.518 4.520 20 0 JJADRN O=C(NCCOc1ccccc1C(F)(F)F)c1cc(Br)cc(N2CCCC2)c1 ZINC001435078360 1064500886 /nfs/dbraw/zinc/50/08/86/1064500886.db2.gz PFMBFYSAYQUUKH-UHFFFAOYSA-N 0 0 457.290 4.877 20 0 JJADRN O=C(Nc1cccc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1)c1cccc(C(F)(F)F)c1 ZINC001435078468 1064500898 /nfs/dbraw/zinc/50/08/98/1064500898.db2.gz GZKCWGRQENTHDF-AWEZNQCLSA-N 0 0 459.390 4.780 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359818078 1064501232 /nfs/dbraw/zinc/50/12/32/1064501232.db2.gz RVPWXOJQPBDMLG-QHCPKHFHSA-N 0 0 460.066 4.828 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1ccnc(OCC(F)F)c1)C1CC1 ZINC001435079660 1064501388 /nfs/dbraw/zinc/50/13/88/1064501388.db2.gz AKOONIJOLKCEQL-UHFFFAOYSA-N 0 0 455.299 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OCC3CC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359818199 1064501759 /nfs/dbraw/zinc/50/17/59/1064501759.db2.gz VYTWYKNTHAUDHS-UHFFFAOYSA-N 0 0 466.548 4.861 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)CC1 ZINC001435079957 1064502114 /nfs/dbraw/zinc/50/21/14/1064502114.db2.gz FNLWBDLPBNPZPM-KRWDZBQOSA-N 0 0 456.656 4.654 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1cc(Br)ncc1Cl ZINC001359818367 1064502238 /nfs/dbraw/zinc/50/22/38/1064502238.db2.gz CAGZRVZOKIGQJY-UHFFFAOYSA-N 0 0 459.727 4.785 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1)Nc1ccccc1F ZINC001359818843 1064502732 /nfs/dbraw/zinc/50/27/32/1064502732.db2.gz NXQLRSFFWQNMQR-UHFFFAOYSA-N 0 0 459.521 4.885 20 0 JJADRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1cnc(Br)c(Cl)c1 ZINC001359819129 1064502834 /nfs/dbraw/zinc/50/28/34/1064502834.db2.gz RYCYSIVLEOLZPA-UHFFFAOYSA-N 0 0 459.727 4.785 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(Cc4ccccc4C3=O)CC2)n1CCSCC(F)(F)F ZINC001359819077 1064502850 /nfs/dbraw/zinc/50/28/50/1064502850.db2.gz JVKKVZIJJWMPLB-UHFFFAOYSA-N 0 0 466.573 4.798 20 0 JJADRN CC(C)CN(CC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)C(=O)OC(C)(C)C ZINC001359819035 1064502898 /nfs/dbraw/zinc/50/28/98/1064502898.db2.gz QYMOBSDVZDBQNF-UHFFFAOYSA-N 0 0 457.546 4.839 20 0 JJADRN CC(C)CN1N=C(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CCC1=O ZINC001435081619 1064503055 /nfs/dbraw/zinc/50/30/55/1064503055.db2.gz ZSIFLZFUZLBANX-UHFFFAOYSA-N 0 0 456.465 4.625 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)[C@H]1CC(c2ccc(C)cc2)=NO1)C1CC1 ZINC001435081762 1064503262 /nfs/dbraw/zinc/50/32/62/1064503262.db2.gz UCNJKVKMKXAESP-JOCHJYFZSA-N 0 0 457.368 4.840 20 0 JJADRN Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC001359821025 1064503944 /nfs/dbraw/zinc/50/39/44/1064503944.db2.gz ZKSPQWQJBFDUTJ-HNNXBMFYSA-N 0 0 458.436 4.713 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Br)cc3C2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001545888626 1064504246 /nfs/dbraw/zinc/50/42/46/1064504246.db2.gz SCMDYSAIKYZTTR-IAGOWNOFSA-N 0 0 488.474 4.958 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001435082702 1064504354 /nfs/dbraw/zinc/50/43/54/1064504354.db2.gz FLDAMXKAOGBUNK-IBGZPJMESA-N 0 0 456.543 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359822877 1064505146 /nfs/dbraw/zinc/50/51/46/1064505146.db2.gz ICLXNMKPEWJWLR-QGZVFWFLSA-N 0 0 462.038 4.854 20 0 JJADRN CCCN(C(=O)CSc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001435084114 1064505500 /nfs/dbraw/zinc/50/55/00/1064505500.db2.gz QLVPQHWHXFDZSR-MRXNPFEDSA-N 0 0 457.434 4.789 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC001435084305 1064505595 /nfs/dbraw/zinc/50/55/95/1064505595.db2.gz ALLVZVSCBPNIEW-FQEVSTJZSA-N 0 0 453.396 4.551 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3ccc(NC(C)=O)cn3)cc2)CC1 ZINC001359823592 1064505805 /nfs/dbraw/zinc/50/58/05/1064505805.db2.gz VTOOSGRDLFYUEO-UHFFFAOYSA-N 0 0 450.583 4.905 20 0 JJADRN CCN(C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001435084797 1064505939 /nfs/dbraw/zinc/50/59/39/1064505939.db2.gz SZOIPGHQYCSOQA-JYFHCDHNSA-N 0 0 459.565 4.779 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001435084638 1064506050 /nfs/dbraw/zinc/50/60/50/1064506050.db2.gz XVBXWQORCCROMF-LJQANCHMSA-N 0 0 456.543 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(F)ccc3C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359823689 1064506239 /nfs/dbraw/zinc/50/62/39/1064506239.db2.gz WWVAGFIXEQMOOT-IBGZPJMESA-N 0 0 471.621 4.826 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001359824088 1064506301 /nfs/dbraw/zinc/50/63/01/1064506301.db2.gz FUCDGSKPGGOGTR-SBUREZEXSA-N 0 0 450.535 4.800 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CCNC(=O)OC(C)(C)C ZINC001359823692 1064506314 /nfs/dbraw/zinc/50/63/14/1064506314.db2.gz WYKZNYKZTIABAF-UHFFFAOYSA-N 0 0 485.673 4.989 20 0 JJADRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001435086480 1064506553 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0 457.914 4.820 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cccc(F)c3[C@H]2C)n1Cc1cccc(Br)n1 ZINC001359825359 1064507850 /nfs/dbraw/zinc/50/78/50/1064507850.db2.gz GGGFVUMYKHFXED-OAHLLOKOSA-N 0 0 458.379 4.945 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC001435090463 1064508129 /nfs/dbraw/zinc/50/81/29/1064508129.db2.gz DTKQUFSOFIIYFA-IBGZPJMESA-N 0 0 456.533 4.554 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 ZINC001435090012 1064508146 /nfs/dbraw/zinc/50/81/46/1064508146.db2.gz XKOOQCVFIUTXAV-UHFFFAOYSA-N 0 0 458.967 4.621 20 0 JJADRN Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001435090058 1064508163 /nfs/dbraw/zinc/50/81/63/1064508163.db2.gz BHKAZJWLBDZUDL-NRFANRHFSA-N 0 0 450.336 4.886 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359826226 1064508113 /nfs/dbraw/zinc/50/81/13/1064508113.db2.gz LZVQNTDDSJKUJI-LBPRGKRZSA-N 0 0 455.472 4.973 20 0 JJADRN Cc1c(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435091106 1064508335 /nfs/dbraw/zinc/50/83/35/1064508335.db2.gz OKKMXAYZIUZGMW-INIZCTEOSA-N 0 0 458.484 4.845 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826728 1064508770 /nfs/dbraw/zinc/50/87/70/1064508770.db2.gz UCZDSJMSNBFGKH-RSEQLOHWSA-N 0 0 496.700 4.696 20 0 JJADRN CC(C)Cc1nnc(N2CCC=C(Br)C2)n1C[C@@]1(C)OCCc2sccc21 ZINC001359826819 1064508948 /nfs/dbraw/zinc/50/89/48/1064508948.db2.gz RMNGAAKJROAKNK-HXUWFJFHSA-N 0 0 451.434 4.515 20 0 JJADRN CC(C)Cc1nnc(N2CCC=C(Br)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359826862 1064508961 /nfs/dbraw/zinc/50/89/61/1064508961.db2.gz SGMBSQVMHLGOTP-GOSISDBHSA-N 0 0 494.478 4.755 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1CCC1CCC(OC)CC1 ZINC001545888701 1064509297 /nfs/dbraw/zinc/50/92/97/1064509297.db2.gz VIWJGNUKSQXHJG-UHFFFAOYSA-N 0 0 453.631 4.794 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC001435092262 1064509613 /nfs/dbraw/zinc/50/96/13/1064509613.db2.gz ZXYCPFRKFOBOLD-KRWDZBQOSA-N 0 0 452.580 4.624 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001359827425 1064509501 /nfs/dbraw/zinc/50/95/01/1064509501.db2.gz ZSUCEPIGXFIRDN-SJORKVTESA-N 0 0 461.573 4.805 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C ZINC001359828252 1064510144 /nfs/dbraw/zinc/51/01/44/1064510144.db2.gz CWJYQSUCPXMQBG-OAHLLOKOSA-N 0 0 452.473 4.814 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)ccc21 ZINC001435093947 1064510026 /nfs/dbraw/zinc/51/00/26/1064510026.db2.gz ZLSNVLUHTQUCIQ-UHFFFAOYSA-N 0 0 454.527 4.818 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)CCC2 ZINC001435094867 1064510514 /nfs/dbraw/zinc/51/05/14/1064510514.db2.gz GCSNRYUOIVLKIO-ISKFKSNPSA-N 0 0 457.014 4.737 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)CCC2 ZINC001435094868 1064510676 /nfs/dbraw/zinc/51/06/76/1064510676.db2.gz GCSNRYUOIVLKIO-LADGPHEKSA-N 0 0 457.014 4.737 20 0 JJADRN COc1ccc2c(c1)[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)CCC2 ZINC001435094870 1064510691 /nfs/dbraw/zinc/51/06/91/1064510691.db2.gz GCSNRYUOIVLKIO-VWNXMTODSA-N 0 0 457.014 4.737 20 0 JJADRN CC1(C)CN([C@@H](CNC(=O)CCc2cncc3ccccc32)c2ccc(Cl)cc2)CCO1 ZINC001435097364 1064512009 /nfs/dbraw/zinc/51/20/09/1064512009.db2.gz ZSOLDKCJNKPMNY-DEOSSOPVSA-N 0 0 451.998 4.789 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 ZINC001435097465 1064512028 /nfs/dbraw/zinc/51/20/28/1064512028.db2.gz GHFHSNHZJXTUQT-VWNXMTODSA-N 0 0 457.014 4.988 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)CSc2ccccc2Br)c1 ZINC001435097162 1064512129 /nfs/dbraw/zinc/51/21/29/1064512129.db2.gz YACFEMOESYDDJT-UHFFFAOYSA-N 0 0 454.411 4.976 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(F)c(I)c1 ZINC001435097265 1064512326 /nfs/dbraw/zinc/51/23/26/1064512326.db2.gz XOVRRXMEOKHSHY-GFCCVEGCSA-N 0 0 459.324 4.597 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)C(F)(F)c2ccccc2Br)c1 ZINC001435097324 1064512340 /nfs/dbraw/zinc/51/23/40/1064512340.db2.gz ZAGVESDRWHANGO-UHFFFAOYSA-N 0 0 458.324 4.976 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1nc(C2CC2)cs1 ZINC001359829977 1064512177 /nfs/dbraw/zinc/51/21/77/1064512177.db2.gz ASJFVEZIFBAEBX-GOSISDBHSA-N 0 0 488.702 4.942 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC001359829957 1064512194 /nfs/dbraw/zinc/51/21/94/1064512194.db2.gz XRUZAYHZHMYKGY-JOCHJYFZSA-N 0 0 452.507 4.780 20 0 JJADRN C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 ZINC001435098374 1064512747 /nfs/dbraw/zinc/51/27/47/1064512747.db2.gz QLKZDWFDJCPKRE-UHFFFAOYSA-N 0 0 453.945 4.953 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359830402 1064513086 /nfs/dbraw/zinc/51/30/86/1064513086.db2.gz IUYFWDQVJZRPRB-TUNNFDKTSA-N 0 0 456.679 4.824 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)c1 ZINC001435099056 1064513180 /nfs/dbraw/zinc/51/31/80/1064513180.db2.gz HRXRDTDVIMHQSA-XUVXKRRUSA-N 0 0 458.352 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)C1 ZINC001435098943 1064513234 /nfs/dbraw/zinc/51/32/34/1064513234.db2.gz LADXQBZIUOKBKB-FYSMJZIKSA-N 0 0 461.990 4.552 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC001435098887 1064513284 /nfs/dbraw/zinc/51/32/84/1064513284.db2.gz DMASJWGKTDSTSP-LBPRGKRZSA-N 0 0 455.971 4.557 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC001435098882 1064513343 /nfs/dbraw/zinc/51/33/43/1064513343.db2.gz DMASJWGKTDSTSP-GFCCVEGCSA-N 0 0 455.971 4.557 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc1 ZINC001435100775 1064513686 /nfs/dbraw/zinc/51/36/86/1064513686.db2.gz NKLOIJYAPDUFEU-KRWDZBQOSA-N 0 0 456.530 4.951 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc2)cc1 ZINC001435099243 1064513823 /nfs/dbraw/zinc/51/38/23/1064513823.db2.gz DZDYDNKWWKJJNE-KRWDZBQOSA-N 0 0 456.530 4.869 20 0 JJADRN O=C(N[C@@H](c1nccs1)c1ccccc1)c1cnc(Br)c(Br)c1 ZINC001435099682 1064513875 /nfs/dbraw/zinc/51/38/75/1064513875.db2.gz OQSMDKGOBJYXOF-CYBMUJFWSA-N 0 0 453.159 4.583 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc1 ZINC001435100778 1064513961 /nfs/dbraw/zinc/51/39/61/1064513961.db2.gz NKLOIJYAPDUFEU-QGZVFWFLSA-N 0 0 456.530 4.951 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1ccccc1Br ZINC001359830868 1064513847 /nfs/dbraw/zinc/51/38/47/1064513847.db2.gz SBLCLHOGYQXXQQ-RTBURBONSA-N 0 0 461.448 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359830962 1064514126 /nfs/dbraw/zinc/51/41/26/1064514126.db2.gz UJLGCLFYZUZRKX-ZRBLBEILSA-N 0 0 489.705 4.767 20 0 JJADRN CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)cn1 ZINC001435100862 1064514323 /nfs/dbraw/zinc/51/43/23/1064514323.db2.gz RQATZNCFVPJRQT-UHFFFAOYSA-N 0 0 455.555 4.547 20 0 JJADRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)cc1 ZINC001435101062 1064514377 /nfs/dbraw/zinc/51/43/77/1064514377.db2.gz RYQZVFUQRYQLQD-UHFFFAOYSA-N 0 0 452.498 4.549 20 0 JJADRN O=C(c1nn2c(c1Br)CCC2)N1CCCc2cc(Br)cc(Cl)c21 ZINC001435102490 1064514860 /nfs/dbraw/zinc/51/48/60/1064514860.db2.gz YRVFLOSRGJUDPH-UHFFFAOYSA-N 0 0 459.569 4.601 20 0 JJADRN Cc1c(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)nnn1-c1cccc2cccnc21 ZINC001435101543 1064515008 /nfs/dbraw/zinc/51/50/08/1064515008.db2.gz ZCLJTGGLUCYVTE-UHFFFAOYSA-N 0 0 457.578 4.866 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1c(F)cccc1Cl ZINC001359832390 1064515815 /nfs/dbraw/zinc/51/58/15/1064515815.db2.gz JCDUIWIPBASXKC-QGZVFWFLSA-N 0 0 464.029 4.696 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCOc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107202 1064516770 /nfs/dbraw/zinc/51/67/70/1064516770.db2.gz BKHAUTXGEKOHCJ-AJTFRIOCSA-N 0 0 450.623 4.776 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ncccc1CSC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435107549 1064517461 /nfs/dbraw/zinc/51/74/61/1064517461.db2.gz AKWVIWIJWDHGDP-XXBNENTESA-N 0 0 453.652 4.570 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108293 1064517859 /nfs/dbraw/zinc/51/78/59/1064517859.db2.gz FORMACVKSAZBPQ-AFWDCEBSSA-N 0 0 450.598 4.868 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CCOc1cccc(F)c1 ZINC001359833151 1064517941 /nfs/dbraw/zinc/51/79/41/1064517941.db2.gz UGFWNHVSNRNBTC-GOSISDBHSA-N 0 0 480.510 4.752 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C[C@H]1CSc2ccccc2O1 ZINC001435108612 1064518381 /nfs/dbraw/zinc/51/83/81/1064518381.db2.gz NBWVUEOTNUYVHQ-IBGZPJMESA-N 0 0 454.592 4.934 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3cccc(CS(=O)(=O)C(C)(C)C)c3)CCCC[C@H]12 ZINC001435108719 1064518432 /nfs/dbraw/zinc/51/84/32/1064518432.db2.gz LGAABVVQYWLKHN-NBGIEHNGSA-N 0 0 478.655 4.908 20 0 JJADRN Cc1nc(C(=O)NCCc2cccc(OCCCc3ccccc3)c2)nn1-c1ccc(F)cc1 ZINC001435109197 1064518839 /nfs/dbraw/zinc/51/88/39/1064518839.db2.gz FYVLUGUOUXTUIA-UHFFFAOYSA-N 0 0 458.537 4.699 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109295 1064518998 /nfs/dbraw/zinc/51/89/98/1064518998.db2.gz RKMYJIRVTSSPTB-RBTNQOKQSA-N 0 0 459.634 4.962 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC001435109607 1064519017 /nfs/dbraw/zinc/51/90/17/1064519017.db2.gz QVBPUCBSLNSRFC-UHFFFAOYSA-N 0 0 451.610 4.586 20 0 JJADRN COc1cccc(C2(CNC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)CCCC2)c1 ZINC001435109715 1064519453 /nfs/dbraw/zinc/51/94/53/1064519453.db2.gz RKHAWONQBSNHFM-UHFFFAOYSA-N 0 0 450.579 4.672 20 0 JJADRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001435109999 1064519473 /nfs/dbraw/zinc/51/94/73/1064519473.db2.gz KICNRYNHDQGDPS-UHFFFAOYSA-N 0 0 452.960 4.691 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)COc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110649 1064519846 /nfs/dbraw/zinc/51/98/46/1064519846.db2.gz YGXKLQIMEAJTIW-KBMIEXCESA-N 0 0 457.014 4.731 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC ZINC001435110617 1064520104 /nfs/dbraw/zinc/52/01/04/1064520104.db2.gz NNESLLXDGPERRP-PXDATVDWSA-N 0 0 451.542 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001359834724 1064520830 /nfs/dbraw/zinc/52/08/30/1064520830.db2.gz KAFCNRVQMVFKRP-HRAATJIYSA-N 0 0 474.955 4.585 20 0 JJADRN O=C(NCCc1cccc(OCCCc2ccccc2)c1)c1nc(Br)ccc1F ZINC001435111945 1064521058 /nfs/dbraw/zinc/52/10/58/1064521058.db2.gz WNZAFVUJGXXHKE-UHFFFAOYSA-N 0 0 457.343 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359834922 1064521382 /nfs/dbraw/zinc/52/13/82/1064521382.db2.gz OGQZVDWCYVGLQS-FQEVSTJZSA-N 0 0 493.599 4.684 20 0 JJADRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001435112593 1064521445 /nfs/dbraw/zinc/52/14/45/1064521445.db2.gz NOHFKQQZRWNYST-QFIPXVFZSA-N 0 0 459.539 4.616 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(Br)c(F)c3)c12 ZINC001435113155 1064521479 /nfs/dbraw/zinc/52/14/79/1064521479.db2.gz PWCSDPMKWUGOME-UHFFFAOYSA-N 0 0 459.344 4.837 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2ccc(OC)c(Br)c2)CC[C@H]1c1ccc(C)o1 ZINC001435114087 1064521956 /nfs/dbraw/zinc/52/19/56/1064521956.db2.gz HDEQODXJNWSZGZ-JKSUJKDBSA-N 0 0 451.317 4.660 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC001435114141 1064522001 /nfs/dbraw/zinc/52/20/01/1064522001.db2.gz HZBGZLONZTWPRX-UHFFFAOYSA-N 0 0 450.970 4.814 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001435114646 1064522338 /nfs/dbraw/zinc/52/23/38/1064522338.db2.gz LEWYMHUCOFWHGU-OALUTQOASA-N 0 0 451.995 4.553 20 0 JJADRN COc1cccc(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1OC1CCCC1 ZINC001435115023 1064522660 /nfs/dbraw/zinc/52/26/60/1064522660.db2.gz AONLGTJOYGLODS-UHFFFAOYSA-N 0 0 456.627 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359835310 1064522807 /nfs/dbraw/zinc/52/28/07/1064522807.db2.gz VGYLNTXERAURLQ-QGZVFWFLSA-N 0 0 469.552 4.753 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359835637 1064523160 /nfs/dbraw/zinc/52/31/60/1064523160.db2.gz YVXMFKVYRVHTMY-SFTDATJTSA-N 0 0 457.638 4.926 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1Cc1ccc(I)cc1 ZINC001359836336 1064523299 /nfs/dbraw/zinc/52/32/99/1064523299.db2.gz ILCHUEYDYIYCFC-HXUWFJFHSA-N 0 0 494.421 4.525 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC001435115943 1064523735 /nfs/dbraw/zinc/52/37/35/1064523735.db2.gz XMXJYDZFUOVUBC-SFHVURJKSA-N 0 0 454.368 4.607 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359836838 1064523723 /nfs/dbraw/zinc/52/37/23/1064523723.db2.gz QVPTZDOBLNKPMC-HXUWFJFHSA-N 0 0 451.537 4.529 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)c1 ZINC001359837551 1064524191 /nfs/dbraw/zinc/52/41/91/1064524191.db2.gz HZDKVYBMBSVLIQ-LHSJRXKWSA-N 0 0 455.393 4.661 20 0 JJADRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCc2cscn2)c1 ZINC001359837567 1064524278 /nfs/dbraw/zinc/52/42/78/1064524278.db2.gz IGYCTUJFSDMRQY-BXKMTCNYSA-N 0 0 459.612 4.926 20 0 JJADRN CCCc1nc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1-c1ccccc1Cl ZINC001435116245 1064524232 /nfs/dbraw/zinc/52/42/32/1064524232.db2.gz NBKBIBGQBZSGEV-UHFFFAOYSA-N 0 0 452.971 4.876 20 0 JJADRN Cc1ccc(Cc2nnc(NC(=O)c3cn(-c4ccc(Br)cc4)cn3)s2)cc1 ZINC001435116852 1064524644 /nfs/dbraw/zinc/52/46/44/1064524644.db2.gz VJMNYJVQFVCFQN-UHFFFAOYSA-N 0 0 454.353 4.638 20 0 JJADRN COC(=O)CCN(C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1OC)C(C)C ZINC001435119629 1064525721 /nfs/dbraw/zinc/52/57/21/1064525721.db2.gz OKUJPLJXZCLAFZ-UHFFFAOYSA-N 0 0 452.551 4.585 20 0 JJADRN CC(C)Cc1nnc(N2CCCC3(CCCC3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359838943 1064525830 /nfs/dbraw/zinc/52/58/30/1064525830.db2.gz KGKHZUWJCHIWGC-UHFFFAOYSA-N 0 0 455.594 4.797 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@]3(C2)OCc2ccccc23)n1CCCCNC(=O)OC(C)(C)C ZINC001359839606 1064526174 /nfs/dbraw/zinc/52/61/74/1064526174.db2.gz RQTIEJSDYQXDQK-MHZLTWQESA-N 0 0 483.657 4.807 20 0 JJADRN CCc1c(C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1 ZINC001435120085 1064526312 /nfs/dbraw/zinc/52/63/12/1064526312.db2.gz PEMGMJXSDXYLMC-QGZVFWFLSA-N 0 0 452.864 4.619 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCOc1cccc(Cl)c1 ZINC001359840424 1064526754 /nfs/dbraw/zinc/52/67/54/1064526754.db2.gz FNWJKMXNSBLKSM-UHFFFAOYSA-N 0 0 488.076 4.828 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001359840571 1064526805 /nfs/dbraw/zinc/52/68/05/1064526805.db2.gz KLJIFBOAZQWVFD-UHFFFAOYSA-N 0 0 473.612 4.888 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001359840836 1064527584 /nfs/dbraw/zinc/52/75/84/1064527584.db2.gz SFOSCVHMZVUFLP-LEWJYISDSA-N 0 0 488.076 4.688 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC1)CCC2 ZINC001435122632 1064528539 /nfs/dbraw/zinc/52/85/39/1064528539.db2.gz GSHHBRXDJSXZJI-UHFFFAOYSA-N 0 0 454.636 4.609 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001359842567 1064529604 /nfs/dbraw/zinc/52/96/04/1064529604.db2.gz GCCZANMHQKSXFJ-UHFFFAOYSA-N 0 0 450.488 4.600 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)C3(c4cccc(OC(F)(F)F)c4)CCC3)c2)cn1 ZINC001359842454 1064529629 /nfs/dbraw/zinc/52/96/29/1064529629.db2.gz AMJNJBGRHGVFRJ-UHFFFAOYSA-N 0 0 459.424 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1OC(F)F ZINC001359843638 1064530032 /nfs/dbraw/zinc/53/00/32/1064530032.db2.gz UFOCQZUCWPHPGN-LJQANCHMSA-N 0 0 493.599 4.814 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1OC ZINC001435124237 1064530205 /nfs/dbraw/zinc/53/02/05/1064530205.db2.gz XLFWNGZVTKZOOW-CQSZACIVSA-N 0 0 450.564 4.822 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001359843342 1064530168 /nfs/dbraw/zinc/53/01/68/1064530168.db2.gz ODYISYDQTVIWDI-HXUWFJFHSA-N 0 0 484.620 4.833 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001359844925 1064530611 /nfs/dbraw/zinc/53/06/11/1064530611.db2.gz FCUKMZMQNHXWAG-ROUUACIJSA-N 0 0 455.744 4.874 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001435125044 1064530621 /nfs/dbraw/zinc/53/06/21/1064530621.db2.gz HEVKDZAAKVEKNH-QHCPKHFHSA-N 0 0 454.998 4.825 20 0 JJADRN O=C(OCc1ccc(Br)cc1)c1ccccc1OC(=O)c1ccc2c(c1)OCO2 ZINC001359844758 1064530771 /nfs/dbraw/zinc/53/07/71/1064530771.db2.gz BTPHEWUNSZYZBS-UHFFFAOYSA-N 0 0 455.260 4.754 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2c(Br)cnn2CC)cc1 ZINC001435124977 1064530835 /nfs/dbraw/zinc/53/08/35/1064530835.db2.gz VULOVPURXGJCTR-RTBURBONSA-N 0 0 450.377 4.574 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)cc1 ZINC001359844630 1064530915 /nfs/dbraw/zinc/53/09/15/1064530915.db2.gz DZGCRDBPTPFESS-UHFFFAOYSA-N 0 0 456.464 4.763 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(CC(F)(F)F)c3ccccc3)cc2)C1 ZINC001359845014 1064531165 /nfs/dbraw/zinc/53/11/65/1064531165.db2.gz OGJYAANTINCZOL-IRXDYDNUSA-N 0 0 454.514 4.562 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001359846183 1064531768 /nfs/dbraw/zinc/53/17/68/1064531768.db2.gz OZFZECLYULXFNU-FQEVSTJZSA-N 0 0 458.050 4.919 20 0 JJADRN COc1ccc(C2(C(=O)NCCCc3ccc(Br)cc3F)CCC2)cc1OC ZINC001435125949 1064531839 /nfs/dbraw/zinc/53/18/39/1064531839.db2.gz GBQVYLRZGVBSMM-UHFFFAOYSA-N 0 0 450.348 4.776 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(OC(F)F)cc1 ZINC001435126891 1064532955 /nfs/dbraw/zinc/53/29/55/1064532955.db2.gz SJJMFJVQZRFMIB-UHFFFAOYSA-N 0 0 453.413 4.792 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)nc2cc(Cl)ccn21)C1CCCCC1 ZINC001435127121 1064532985 /nfs/dbraw/zinc/53/29/85/1064532985.db2.gz FMALECXHTDOZJE-HNNXBMFYSA-N 0 0 455.386 4.845 20 0 JJADRN COc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(C)C)cc1Br ZINC001435127177 1064533064 /nfs/dbraw/zinc/53/30/64/1064533064.db2.gz CJFRZSVDRTUUBW-UHFFFAOYSA-N 0 0 450.373 4.816 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001435127490 1064533393 /nfs/dbraw/zinc/53/33/93/1064533393.db2.gz SXUYODKYQQMRPO-QGZVFWFLSA-N 0 0 452.853 4.992 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)Oc1ccccc1F ZINC001359847114 1064533669 /nfs/dbraw/zinc/53/36/69/1064533669.db2.gz OIPGWCOLFQQNKC-RBUKOAKNSA-N 0 0 475.609 4.529 20 0 JJADRN Cc1nc(Br)sc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001435128212 1064533856 /nfs/dbraw/zinc/53/38/56/1064533856.db2.gz NQRDRSCVGRRTDY-UHFFFAOYSA-N 0 0 452.374 4.760 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128340 1064533930 /nfs/dbraw/zinc/53/39/30/1064533930.db2.gz OYSUXCYQHFUICQ-PKTZIBPZSA-N 0 0 455.599 4.540 20 0 JJADRN CCOc1cccc2c1OCC(C(=O)Nc1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)=C2 ZINC001435128351 1064533960 /nfs/dbraw/zinc/53/39/60/1064533960.db2.gz PGOFDWMFCDSGCT-UHFFFAOYSA-N 0 0 450.535 4.793 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128339 1064534156 /nfs/dbraw/zinc/53/41/56/1064534156.db2.gz OYSUXCYQHFUICQ-GOTSBHOMSA-N 0 0 455.599 4.540 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCc1ccc(Br)s1 ZINC001359848525 1064534224 /nfs/dbraw/zinc/53/42/24/1064534224.db2.gz BAJFNMBCYYWIGF-UHFFFAOYSA-N 0 0 490.471 4.576 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359848490 1064534353 /nfs/dbraw/zinc/53/43/53/1064534353.db2.gz ANWUJBXJVYZLQJ-UHFFFAOYSA-N 0 0 452.672 4.930 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001359848658 1064534461 /nfs/dbraw/zinc/53/44/61/1064534461.db2.gz AOCPTOYEHJBCJD-ZWKOTPCHSA-N 0 0 488.702 4.552 20 0 JJADRN CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cccc(OC2CCCC2)c1 ZINC001435129193 1064534548 /nfs/dbraw/zinc/53/45/48/1064534548.db2.gz GOXPOQLSUUZACA-UHFFFAOYSA-N 0 0 459.384 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CC1CC(F)(F)C1 ZINC001359848749 1064534757 /nfs/dbraw/zinc/53/47/57/1064534757.db2.gz CKTICNMHBQVYEE-MRXNPFEDSA-N 0 0 453.528 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CC1CC(F)(F)C1 ZINC001359848748 1064534795 /nfs/dbraw/zinc/53/47/95/1064534795.db2.gz CKTICNMHBQVYEE-INIZCTEOSA-N 0 0 453.528 4.683 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001359848863 1064534927 /nfs/dbraw/zinc/53/49/27/1064534927.db2.gz CYDZMOIFAYLADJ-ROUUACIJSA-N 0 0 452.619 4.642 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2ccccc2)CC2CCOCC2)C1 ZINC001435129349 1064535106 /nfs/dbraw/zinc/53/51/06/1064535106.db2.gz MDXFAFWIKYJYAV-HSZRJFAPSA-N 0 0 454.998 4.648 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359850262 1064536741 /nfs/dbraw/zinc/53/67/41/1064536741.db2.gz RDFLEZRJCXVSGU-DVECYGJZSA-N 0 0 461.601 4.533 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1Cc1cccc(Br)n1 ZINC001359850630 1064537083 /nfs/dbraw/zinc/53/70/83/1064537083.db2.gz VDZUNLZDIVZJLL-QGZVFWFLSA-N 0 0 489.487 4.627 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCc1ccc(F)cc1Cl ZINC001359850933 1064537930 /nfs/dbraw/zinc/53/79/30/1064537930.db2.gz ZZOYUKDKXKEYOO-QGZVFWFLSA-N 0 0 480.028 4.957 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359851761 1064538809 /nfs/dbraw/zinc/53/88/09/1064538809.db2.gz DNWFSHJWIRVHNN-UHFFFAOYSA-N 0 0 452.672 4.800 20 0 JJADRN Cc1c2ccccc2oc1[C@H](NC(=O)c1nnn(CCOc2ccc(F)cc2)c1C)C(C)C ZINC001435136592 1064539286 /nfs/dbraw/zinc/53/92/86/1064539286.db2.gz HHPCOTAJJUGMQZ-JOCHJYFZSA-N 0 0 450.514 4.986 20 0 JJADRN CC(C)(C)c1ccc(C2(C(=O)NCc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC001359852167 1064539292 /nfs/dbraw/zinc/53/92/92/1064539292.db2.gz QMOLXFPADYKMRG-UHFFFAOYSA-N 0 0 454.636 4.507 20 0 JJADRN Cc1c(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)ccn1Cc1ccccc1 ZINC001359852688 1064539971 /nfs/dbraw/zinc/53/99/71/1064539971.db2.gz YVXLGYMVEUEMCT-UHFFFAOYSA-N 0 0 454.368 4.674 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3C)CC2)c1 ZINC001435138959 1064540331 /nfs/dbraw/zinc/54/03/31/1064540331.db2.gz KNQQTLQJHQMALP-RUZDIDTESA-N 0 0 452.595 4.768 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 ZINC001435138483 1064540363 /nfs/dbraw/zinc/54/03/63/1064540363.db2.gz STJBPFHJZBNXCN-NHCUHLMSSA-N 0 0 456.533 4.682 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2c(C)ccc(Br)c2C)cc1OC ZINC001359853324 1064540574 /nfs/dbraw/zinc/54/05/74/1064540574.db2.gz AIXAYQKVWJRLJP-UHFFFAOYSA-N 0 0 457.162 4.776 20 0 JJADRN COc1cc(Br)c(CNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)cc1OC ZINC001359854318 1064541795 /nfs/dbraw/zinc/54/17/95/1064541795.db2.gz KPIISGZURVSGID-LJQANCHMSA-N 0 0 456.764 4.840 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)s1 ZINC001435141639 1064541807 /nfs/dbraw/zinc/54/18/07/1064541807.db2.gz AHBULETWOXLASN-UHFFFAOYSA-N 0 0 451.633 4.729 20 0 JJADRN CN(C)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c2ccccc2n1 ZINC001435142102 1064541994 /nfs/dbraw/zinc/54/19/94/1064541994.db2.gz FDHUIFIVASPXAJ-UHFFFAOYSA-N 0 0 452.599 4.697 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC001435142524 1064542459 /nfs/dbraw/zinc/54/24/59/1064542459.db2.gz RQJIEHZMSMPKQN-LJQANCHMSA-N 0 0 457.014 4.609 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC001435142280 1064542616 /nfs/dbraw/zinc/54/26/16/1064542616.db2.gz HDCXMLWZJKUFKT-KUHUBIRLSA-N 0 0 451.455 4.746 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)c(OC)c1 ZINC001435143537 1064544201 /nfs/dbraw/zinc/54/42/01/1064544201.db2.gz PYMCFPMOPYPSSE-UXBLZVDNSA-N 0 0 458.599 4.889 20 0 JJADRN COc1ccc(CC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1OC ZINC001435143565 1064544301 /nfs/dbraw/zinc/54/43/01/1064544301.db2.gz BMWGNIZUIXEREE-UHFFFAOYSA-N 0 0 458.514 4.903 20 0 JJADRN CCc1c(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)nnn1Cc1ccccc1 ZINC001359857870 1064544664 /nfs/dbraw/zinc/54/46/64/1064544664.db2.gz FYMLCCLYRYUDHC-SANMLTNESA-N 0 0 457.553 4.983 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001359857519 1064544810 /nfs/dbraw/zinc/54/48/10/1064544810.db2.gz AENWBWJJDYIALI-SANMLTNESA-N 0 0 458.537 4.904 20 0 JJADRN COC(=O)c1cccc(CC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1 ZINC001435145112 1064545260 /nfs/dbraw/zinc/54/52/60/1064545260.db2.gz NHFINHFDBYIIPK-UHFFFAOYSA-N 0 0 456.498 4.673 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001435145687 1064545758 /nfs/dbraw/zinc/54/57/58/1064545758.db2.gz YWSZMJJAJFOICW-KRWDZBQOSA-N 0 0 454.368 4.932 20 0 JJADRN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001435145310 1064545870 /nfs/dbraw/zinc/54/58/70/1064545870.db2.gz PTZYHYBVROSYOJ-HHHXNRCGSA-N 0 0 455.595 4.896 20 0 JJADRN CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858387 1064545864 /nfs/dbraw/zinc/54/58/64/1064545864.db2.gz LQNVCBIDFXEWIZ-AREMUKBSSA-N 0 0 455.558 4.829 20 0 JJADRN CCN(C(=O)c1cc(C(=O)OC)nn1-c1ccccc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001359858922 1064546369 /nfs/dbraw/zinc/54/63/69/1064546369.db2.gz SQJGGEUFFMQHLQ-RUZDIDTESA-N 0 0 454.530 4.614 20 0 JJADRN CCN(C(=O)c1cc2c(cn1)OCCC2)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001359859131 1064546572 /nfs/dbraw/zinc/54/65/72/1064546572.db2.gz WHQHTCCAMXFSPJ-QFIPXVFZSA-N 0 0 452.352 4.816 20 0 JJADRN CCN(C(=O)c1cc(C(=O)OC)nn1-c1ccccc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001359858923 1064546610 /nfs/dbraw/zinc/54/66/10/1064546610.db2.gz SQJGGEUFFMQHLQ-VWLOTQADSA-N 0 0 454.530 4.614 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCSc2ncccc21 ZINC001435146226 1064546872 /nfs/dbraw/zinc/54/68/72/1064546872.db2.gz DXBMAISUEWYOTE-UHFFFAOYSA-N 0 0 452.376 4.716 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cnc(-c2ncccn2)s1 ZINC001435147415 1064547679 /nfs/dbraw/zinc/54/76/79/1064547679.db2.gz GNPMKJVLJUJOMY-UHFFFAOYSA-N 0 0 457.437 4.736 20 0 JJADRN CN(C)c1cc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc(Cl)n1 ZINC001435147909 1064548051 /nfs/dbraw/zinc/54/80/51/1064548051.db2.gz IKZNDTHQYWJLEV-UHFFFAOYSA-N 0 0 450.848 4.937 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(C(C)(C)C)nc2)c2ccccc2F)CC1 ZINC001435147974 1064548158 /nfs/dbraw/zinc/54/81/58/1064548158.db2.gz LPAPCNUHEGQEGS-UHFFFAOYSA-N 0 0 456.562 4.960 20 0 JJADRN CN(C(=O)C1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC001435148821 1064549222 /nfs/dbraw/zinc/54/92/22/1064549222.db2.gz LMXMBOYFZZOXBD-QFIPXVFZSA-N 0 0 457.412 4.625 20 0 JJADRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC001435149762 1064549811 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4.838 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 ZINC001435150604 1064551091 /nfs/dbraw/zinc/55/10/91/1064551091.db2.gz SLAXMWBCNGJRKU-UHFFFAOYSA-N 0 0 454.592 4.622 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001435152365 1064551636 /nfs/dbraw/zinc/55/16/36/1064551636.db2.gz LWSWUQBVKYBREA-UHFFFAOYSA-N 0 0 452.457 4.790 20 0 JJADRN CCCNC(=O)c1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)c1 ZINC001435151950 1064551680 /nfs/dbraw/zinc/55/16/80/1064551680.db2.gz HPNSETDYFLFLTE-UHFFFAOYSA-N 0 0 450.445 4.803 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCc1ccc(F)cc1 ZINC001359861438 1064551759 /nfs/dbraw/zinc/55/17/59/1064551759.db2.gz VMDHOVPMDAJPDV-UHFFFAOYSA-N 0 0 484.689 4.935 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](c2ccccc2Cl)C(C)C)cc1 ZINC001435152854 1064552290 /nfs/dbraw/zinc/55/22/90/1064552290.db2.gz PLPDWXIECYSCBR-QHCPKHFHSA-N 0 0 451.032 4.817 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359861563 1064552213 /nfs/dbraw/zinc/55/22/13/1064552213.db2.gz ZIVSLHQOSOSZBE-UHFFFAOYSA-N 0 0 478.588 4.517 20 0 JJADRN Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001435154460 1064552592 /nfs/dbraw/zinc/55/25/92/1064552592.db2.gz DHRNWOXIGIELLH-FQEVSTJZSA-N 0 0 457.502 4.645 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)cc2n1 ZINC001359861844 1064552745 /nfs/dbraw/zinc/55/27/45/1064552745.db2.gz KJSBYOZARYPZMY-UHFFFAOYSA-N 0 0 453.396 4.795 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)ccc1F ZINC001435154552 1064552670 /nfs/dbraw/zinc/55/26/70/1064552670.db2.gz ISXYFBFTELXRTP-YMTYPPQLSA-N 0 0 452.979 4.637 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)cnn1-c1ccccc1Cl ZINC001359863840 1064553579 /nfs/dbraw/zinc/55/35/79/1064553579.db2.gz YKJLSRFZZYGOPO-UHFFFAOYSA-N 0 0 452.363 4.958 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c(C)n1 ZINC001435156287 1064553740 /nfs/dbraw/zinc/55/37/40/1064553740.db2.gz DKBZALBBMGEOJL-DFBJGRDBSA-N 0 0 458.606 4.540 20 0 JJADRN C[C@@H]1C[C@H]1[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)cc1 ZINC001435157120 1064554152 /nfs/dbraw/zinc/55/41/52/1064554152.db2.gz TZHKSBNRSTZDON-LLSQANQASA-N 0 0 455.723 4.837 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccnc1)C1CCCC1)c1ccccc1 ZINC001435157448 1064554187 /nfs/dbraw/zinc/55/41/87/1064554187.db2.gz MJEOHCDJBKNSFK-SVBPBHIXSA-N 0 0 455.602 4.821 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC001435157498 1064554204 /nfs/dbraw/zinc/55/42/04/1064554204.db2.gz KHOXTDNRPKKOFG-DEOSSOPVSA-N 0 0 450.966 4.890 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864048 1064554364 /nfs/dbraw/zinc/55/43/64/1064554364.db2.gz FGPOXRXSTIWKNF-LJQANCHMSA-N 0 0 497.562 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)nc1 ZINC001359864898 1064554673 /nfs/dbraw/zinc/55/46/73/1064554673.db2.gz TZGUVUIIMMSBNF-QFIPXVFZSA-N 0 0 454.663 4.552 20 0 JJADRN CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc4c(Br)cnn4c3)CC2)cc1 ZINC001359865123 1064554794 /nfs/dbraw/zinc/55/47/94/1064554794.db2.gz JBRBJRQNLHXOKY-UHFFFAOYSA-N 0 0 455.400 4.793 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001359864959 1064554999 /nfs/dbraw/zinc/55/49/99/1064554999.db2.gz HZCMYIGLBGLACY-UHFFFAOYSA-N 0 0 458.606 4.755 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccccc3)cc2c1 ZINC001435159487 1064555175 /nfs/dbraw/zinc/55/51/75/1064555175.db2.gz XBGRNLBRNSERSQ-SANMLTNESA-N 0 0 453.542 4.556 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC001435159241 1064555408 /nfs/dbraw/zinc/55/54/08/1064555408.db2.gz CKTVXWLWZUDCKF-HKBQPEDESA-N 0 0 458.649 4.701 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCN(C)CC(F)(F)F ZINC001359865369 1064555529 /nfs/dbraw/zinc/55/55/29/1064555529.db2.gz DNQMGFSWMBYLKQ-SFHVURJKSA-N 0 0 493.496 4.567 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001359865334 1064555564 /nfs/dbraw/zinc/55/55/64/1064555564.db2.gz XJIMJUHDILXFOH-GOSISDBHSA-N 0 0 465.429 4.731 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC001435159532 1064555679 /nfs/dbraw/zinc/55/56/79/1064555679.db2.gz CRZACJXHDMFRPI-MHZLTWQESA-N 0 0 454.386 4.766 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cs1 ZINC001435159753 1064555937 /nfs/dbraw/zinc/55/59/37/1064555937.db2.gz WSZQQRKIHPLPQX-UHFFFAOYSA-N 0 0 455.433 4.570 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)C(=O)OC(C)C ZINC001435160450 1064556225 /nfs/dbraw/zinc/55/62/25/1064556225.db2.gz SJTLZRZGWPSEAZ-SFHVURJKSA-N 0 0 452.345 4.717 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H](C)CCc2cccn2C)cc1 ZINC001435160099 1064556496 /nfs/dbraw/zinc/55/64/96/1064556496.db2.gz YQSIBQWYCQIZDT-SFHVURJKSA-N 0 0 456.633 4.721 20 0 JJADRN CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001435162139 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AXOVWUXPGUTUOR-UYAOXDASSA-N 0 0 462.685 4.507 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)C1 ZINC001359877708 1064567914 /nfs/dbraw/zinc/56/79/14/1064567914.db2.gz DCAZKDBAZFVTTR-MAZCQJGGSA-N 0 0 462.635 4.731 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(F)c2)C1 ZINC001359877870 1064568334 /nfs/dbraw/zinc/56/83/34/1064568334.db2.gz DWOOYOYBTCAISP-NVQXNPDNSA-N 0 0 458.622 4.963 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2=O)c1 ZINC001435175845 1064568735 /nfs/dbraw/zinc/56/87/35/1064568735.db2.gz YDKVULQIXIXFAQ-SFHVURJKSA-N 0 0 452.576 4.886 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C1 ZINC001359877986 1064568902 /nfs/dbraw/zinc/56/89/02/1064568902.db2.gz FNOUONVAPFTKER-RDJZCZTQSA-N 0 0 483.838 4.649 20 0 JJADRN CCOc1cc(CNC(=O)c2ccccc2SCc2occc2C(=O)OC)ccc1OC ZINC001435175820 1064568793 /nfs/dbraw/zinc/56/87/93/1064568793.db2.gz CRSIINUBDJSNEA-UHFFFAOYSA-N 0 0 455.532 4.696 20 0 JJADRN 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ZINC001435179996 1064571671 /nfs/dbraw/zinc/57/16/71/1064571671.db2.gz OVUNSEHQUHLWGQ-HNNXBMFYSA-N 0 0 452.308 4.628 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC(F)(F)C2)C1 ZINC001359879286 1064571893 /nfs/dbraw/zinc/57/18/93/1064571893.db2.gz SJAWITPPIAYKGF-AWEZNQCLSA-N 0 0 456.379 4.964 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001359879344 1064571921 /nfs/dbraw/zinc/57/19/21/1064571921.db2.gz UKDKSQSVTKSIIE-FXAWDEMLSA-N 0 0 495.487 4.547 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CSCCS2)C1 ZINC001359879398 1064572308 /nfs/dbraw/zinc/57/23/08/1064572308.db2.gz VGDKYAFRBHEVOA-DOTOQJQBSA-N 0 0 484.533 4.767 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)C1 ZINC001435181400 1064572623 /nfs/dbraw/zinc/57/26/23/1064572623.db2.gz UPPIEGVOLGCWJG-WDZJFXIESA-N 0 0 459.606 4.789 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](F)c2ccc(Br)cc2)C1 ZINC001359879441 1064572715 /nfs/dbraw/zinc/57/27/15/1064572715.db2.gz VXVDRABOHAFCOK-LPHOPBHVSA-N 0 0 480.426 4.762 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)C1 ZINC001359879612 1064572749 /nfs/dbraw/zinc/57/27/49/1064572749.db2.gz YZYTUKWISNPRBY-ONTIZHBOSA-N 0 0 488.076 4.939 20 0 JJADRN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1-c1cccc(C)c1 ZINC001435182258 1064573154 /nfs/dbraw/zinc/57/31/54/1064573154.db2.gz BVXCAYZLIZSSFW-UHFFFAOYSA-N 0 0 454.933 4.773 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001359879992 1064573460 /nfs/dbraw/zinc/57/34/60/1064573460.db2.gz AQCDOWXGQOSHKA-NRFANRHFSA-N 0 0 472.699 4.940 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)c2csc(-c3ncccc3F)n2)C1 ZINC001435183198 1064573605 /nfs/dbraw/zinc/57/36/05/1064573605.db2.gz FTXWHDJIONEUKR-UHFFFAOYSA-N 0 0 454.527 4.890 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)CC(F)(F)F)C1 ZINC001359880386 1064573821 /nfs/dbraw/zinc/57/38/21/1064573821.db2.gz FKBHCQRHTWXOLF-GOSISDBHSA-N 0 0 476.547 4.967 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2cn[nH]c2)C1 ZINC001359880570 1064573834 /nfs/dbraw/zinc/57/38/34/1064573834.db2.gz HQIVFBXHDVELJC-HNNXBMFYSA-N 0 0 461.383 4.685 20 0 JJADRN O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435183812 1064573926 /nfs/dbraw/zinc/57/39/26/1064573926.db2.gz JDOHGKDASANSFP-URXFXBBRSA-N 0 0 454.998 4.793 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC001435184088 1064574135 /nfs/dbraw/zinc/57/41/35/1064574135.db2.gz IKLLGEGTCFNIAT-NRFANRHFSA-N 0 0 452.646 4.627 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCOC[C@H]2C)C1 ZINC001359880809 1064574405 /nfs/dbraw/zinc/57/44/05/1064574405.db2.gz JLYQEOAPRZQOEA-QZTJIDSGSA-N 0 0 466.457 4.845 20 0 JJADRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC001435184635 1064574562 /nfs/dbraw/zinc/57/45/62/1064574562.db2.gz JSEZPXZLIKWDBG-UHFFFAOYSA-N 0 0 458.839 4.911 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001359881542 1064575680 /nfs/dbraw/zinc/57/56/80/1064575680.db2.gz QKBQBAYPUSMQCY-SFHVURJKSA-N 0 0 460.504 4.749 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccccc2COC2CCOCC2)c1 ZINC001435186357 1064575544 /nfs/dbraw/zinc/57/55/44/1064575544.db2.gz QHYQKYNDBKIHRJ-UHFFFAOYSA-N 0 0 451.592 4.723 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001359881584 1064575759 /nfs/dbraw/zinc/57/57/59/1064575759.db2.gz SPFAGFJWLJASKB-PLJYQOKSSA-N 0 0 451.469 4.729 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001359882217 1064576285 /nfs/dbraw/zinc/57/62/85/1064576285.db2.gz ZMRKYOHTFDQAFI-LJQANCHMSA-N 0 0 459.038 4.659 20 0 JJADRN C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435186856 1064576257 /nfs/dbraw/zinc/57/62/57/1064576257.db2.gz VYQPTKAQOITIOQ-LJQANCHMSA-N 0 0 452.514 4.799 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCCCCC2)C1 ZINC001359882517 1064576596 /nfs/dbraw/zinc/57/65/96/1064576596.db2.gz BVPCGPRHKUZUAD-NRFANRHFSA-N 0 0 455.622 4.673 20 0 JJADRN Cc1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1NC(=O)c1ccccc1 ZINC001435187132 1064576621 /nfs/dbraw/zinc/57/66/21/1064576621.db2.gz SRFWEKBGAUAHFE-SANMLTNESA-N 0 0 453.583 4.917 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC001435187327 1064576760 /nfs/dbraw/zinc/57/67/60/1064576760.db2.gz VMEDZSXMAOIJQJ-LJQANCHMSA-N 0 0 459.612 4.690 20 0 JJADRN O=C(CCc1cncc2ccccc21)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC001359882626 1064576663 /nfs/dbraw/zinc/57/66/63/1064576663.db2.gz GPADHZGPGRXZMA-UHFFFAOYSA-N 0 0 453.380 4.795 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)C1 ZINC001359882839 1064576850 /nfs/dbraw/zinc/57/68/50/1064576850.db2.gz DFNYCNPDCLKUMO-PMACEKPBSA-N 0 0 499.647 4.937 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCS2)C1 ZINC001359882858 1064577152 /nfs/dbraw/zinc/57/71/52/1064577152.db2.gz DJADSLSTBPUUHH-HBMCJLEFSA-N 0 0 493.718 4.745 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NC2CCCCC2)C1 ZINC001359882861 1064577284 /nfs/dbraw/zinc/57/72/84/1064577284.db2.gz DLDGDEZODXPXRG-FQEVSTJZSA-N 0 0 458.050 4.844 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 ZINC001359883606 1064577858 /nfs/dbraw/zinc/57/78/58/1064577858.db2.gz JJNFXPAQDRQABY-CVDCTZTESA-N 0 0 468.596 4.717 20 0 JJADRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C/C=C\c1ccc(Br)cc1 ZINC001359883778 1064578210 /nfs/dbraw/zinc/57/82/10/1064578210.db2.gz RFAMYUFDKXGPAD-IHWYPQMZSA-N 0 0 459.409 4.989 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001359883818 1064578366 /nfs/dbraw/zinc/57/83/66/1064578366.db2.gz JUGZTDKQCRCDFJ-RTBURBONSA-N 0 0 467.536 4.777 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)c12 ZINC001435188924 1064578499 /nfs/dbraw/zinc/57/84/99/1064578499.db2.gz CWHKBYVCVGRUGB-OAHLLOKOSA-N 0 0 457.372 4.509 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359884501 1064578646 /nfs/dbraw/zinc/57/86/46/1064578646.db2.gz OQPLLTRPTFOWRK-JKSUJKDBSA-N 0 0 457.566 4.763 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c2ccccc2Cl)c1 ZINC001435189391 1064579031 /nfs/dbraw/zinc/57/90/31/1064579031.db2.gz CFBBOVFQECEUJX-XMMPIXPASA-N 0 0 457.979 4.727 20 0 JJADRN COc1cc(Cl)cc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001435190248 1064579569 /nfs/dbraw/zinc/57/95/69/1064579569.db2.gz GPAGJJBVKFXMDZ-HSZRJFAPSA-N 0 0 457.979 4.888 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)C1 ZINC001359885305 1064580116 /nfs/dbraw/zinc/58/01/16/1064580116.db2.gz YNMZVVQRZGDQMO-ISKFKSNPSA-N 0 0 497.684 4.806 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2Cl)C1 ZINC001359885414 1064580239 /nfs/dbraw/zinc/58/02/39/1064580239.db2.gz ADLDPMQKNISOLT-SFHVURJKSA-N 0 0 473.980 4.996 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2Cl)C1 ZINC001359885413 1064580343 /nfs/dbraw/zinc/58/03/43/1064580343.db2.gz ADLDPMQKNISOLT-GOSISDBHSA-N 0 0 473.980 4.996 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)C1 ZINC001359885307 1064580400 /nfs/dbraw/zinc/58/04/00/1064580400.db2.gz YNMZVVQRZGDQMO-UPVQGACJSA-N 0 0 497.684 4.806 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001359885735 1064581017 /nfs/dbraw/zinc/58/10/17/1064581017.db2.gz FJXRUAFLHJIVBS-PKTZIBPZSA-N 0 0 483.701 4.748 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccn(C3CCCC3)n2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435191694 1064581116 /nfs/dbraw/zinc/58/11/16/1064581116.db2.gz NONVAQYLICVQGF-DEOSSOPVSA-N 0 0 451.592 4.538 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)c2ccccc2F)C1 ZINC001359885892 1064581383 /nfs/dbraw/zinc/58/13/83/1064581383.db2.gz HXFSWKJWLWPKHW-QFIPXVFZSA-N 0 0 450.606 4.802 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(Cl)c1OCCC(C)C ZINC001435192901 1064581460 /nfs/dbraw/zinc/58/14/60/1064581460.db2.gz FOZBGEVSHSOOMZ-KRWDZBQOSA-N 0 0 454.995 4.903 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359886518 1064581858 /nfs/dbraw/zinc/58/18/58/1064581858.db2.gz MMGTWQONXAFMFL-FZEVHQGJSA-N 0 0 465.063 4.684 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc(Cl)cn2)C1 ZINC001359886145 1064581924 /nfs/dbraw/zinc/58/19/24/1064581924.db2.gz JNYLJZKZGJMDTA-ICSRJNTNSA-N 0 0 492.068 4.773 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br ZINC001435193182 1064582193 /nfs/dbraw/zinc/58/21/93/1064582193.db2.gz GOUADSIPVCWNHW-QGZVFWFLSA-N 0 0 453.421 4.842 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435194074 1064582470 /nfs/dbraw/zinc/58/24/70/1064582470.db2.gz DOTLISHTMYKFGM-YWMUFLPLSA-N 0 0 459.359 4.597 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cnc(Cc2ccccc2F)s1)C1CC1 ZINC001359886656 1064582505 /nfs/dbraw/zinc/58/25/05/1064582505.db2.gz HEPZULXXDHAFTL-NRFANRHFSA-N 0 0 452.551 4.652 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435194072 1064582500 /nfs/dbraw/zinc/58/25/00/1064582500.db2.gz DOTLISHTMYKFGM-FYINFDKHSA-N 0 0 459.359 4.597 20 0 JJADRN O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359886696 1064582995 /nfs/dbraw/zinc/58/29/95/1064582995.db2.gz HTXZZKBMNSAPAY-INIZCTEOSA-N 0 0 455.230 4.877 20 0 JJADRN O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001359886697 1064583019 /nfs/dbraw/zinc/58/30/19/1064583019.db2.gz HTXZZKBMNSAPAY-MRXNPFEDSA-N 0 0 455.230 4.877 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001435195262 1064583648 /nfs/dbraw/zinc/58/36/48/1064583648.db2.gz PFQBSEXBLUBYFL-VZLLQYAHSA-N 0 0 457.983 4.789 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001435195659 1064583753 /nfs/dbraw/zinc/58/37/53/1064583753.db2.gz OVGAJQNQDWSBID-HNNXBMFYSA-N 0 0 453.967 4.816 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001435195067 1064583771 /nfs/dbraw/zinc/58/37/71/1064583771.db2.gz LAZMKQVUUNLAMN-TXIPWTALSA-N 0 0 451.998 4.520 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CCC2)C1 ZINC001359887736 1064583984 /nfs/dbraw/zinc/58/39/84/1064583984.db2.gz XZVBZOSORRZSKF-WNGUMJTMSA-N 0 0 493.718 4.524 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)s2)cc1 ZINC001435196069 1064584334 /nfs/dbraw/zinc/58/43/34/1064584334.db2.gz QQIQWNHMFZXGDT-KRWDZBQOSA-N 0 0 459.612 4.901 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c1 ZINC001435196612 1064584671 /nfs/dbraw/zinc/58/46/71/1064584671.db2.gz PFDKHVBGXPEUBD-UHFFFAOYSA-N 0 0 450.436 4.532 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)CC1 ZINC001359888329 1064585122 /nfs/dbraw/zinc/58/51/22/1064585122.db2.gz ARUWIXPCZRARME-OAQYLSRUSA-N 0 0 458.500 4.969 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1c(F)ccc(Br)c1C ZINC001435197610 1064585785 /nfs/dbraw/zinc/58/57/85/1064585785.db2.gz YQJLQUYHTWOWBF-UHFFFAOYSA-N 0 0 450.308 4.949 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001435197505 1064585950 /nfs/dbraw/zinc/58/59/50/1064585950.db2.gz QRFVLRPCDBTJOS-HFJQGTKSSA-N 0 0 451.542 4.507 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001359888642 1064585920 /nfs/dbraw/zinc/58/59/20/1064585920.db2.gz HLPXFNIUCHTEAH-CEYNDMKZSA-N 0 0 468.671 4.853 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc2c1O[C@@H](C)C2 ZINC001435198549 1064586221 /nfs/dbraw/zinc/58/62/21/1064586221.db2.gz FQYJVOAKPLLJCE-LBPRGKRZSA-N 0 0 456.340 4.742 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)n1C ZINC001435198543 1064586360 /nfs/dbraw/zinc/58/63/60/1064586360.db2.gz FQVAMAWGKVLPDR-AWEZNQCLSA-N 0 0 454.372 4.652 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)c1noc(C)n1 ZINC001435198681 1064586398 /nfs/dbraw/zinc/58/63/98/1064586398.db2.gz KAJUCAYAHDGITR-HXUWFJFHSA-N 0 0 452.511 4.561 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1 ZINC001359888976 1064586538 /nfs/dbraw/zinc/58/65/38/1064586538.db2.gz KAJPXWIQQGCITI-HSZRJFAPSA-N 0 0 453.002 4.788 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001359889111 1064586886 /nfs/dbraw/zinc/58/68/86/1064586886.db2.gz LFDACVJZSKPAAD-KOSHJBKYSA-N 0 0 493.574 4.951 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001359889008 1064586916 /nfs/dbraw/zinc/58/69/16/1064586916.db2.gz KESKYADKEBAASV-BWKNWUBXSA-N 0 0 476.065 4.527 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001435199908 1064587256 /nfs/dbraw/zinc/58/72/56/1064587256.db2.gz SSFLXCMXKPTQBQ-UHFFFAOYSA-N 0 0 457.111 4.501 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001359889282 1064587610 /nfs/dbraw/zinc/58/76/10/1064587610.db2.gz JRJKXHFHKOQAQE-UHFFFAOYSA-N 0 0 450.308 4.784 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001359889647 1064587951 /nfs/dbraw/zinc/58/79/51/1064587951.db2.gz DEBNOYZGWQIKHF-SANMLTNESA-N 0 0 485.579 4.853 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001359890053 1064588759 /nfs/dbraw/zinc/58/87/59/1064588759.db2.gz QZUAPZJTSJETPW-YWEHKCAJSA-N 0 0 494.684 4.532 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001359890063 1064588822 /nfs/dbraw/zinc/58/88/22/1064588822.db2.gz RCGPUYCOSYFDJX-JPYJTQIMSA-N 0 0 492.455 4.872 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435202263 1064589146 /nfs/dbraw/zinc/58/91/46/1064589146.db2.gz GRMUTUNWJZOSDX-JXFKEZNVSA-N 0 0 451.007 4.947 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC001359890325 1064589598 /nfs/dbraw/zinc/58/95/98/1064589598.db2.gz SGDRQRRCNUIIOA-CPJSRVTESA-N 0 0 474.621 4.751 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001359890318 1064589824 /nfs/dbraw/zinc/58/98/24/1064589824.db2.gz SCASGZHQGMYDOS-FQEVSTJZSA-N 0 0 474.955 4.679 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)/C=C\c3ccc(C(N)=O)o3)cc21 ZINC001435203783 1064590011 /nfs/dbraw/zinc/59/00/11/1064590011.db2.gz BDLRGLLXCDHMIS-RAXLEYEMSA-N 0 0 450.491 4.552 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001359891091 1064590507 /nfs/dbraw/zinc/59/05/07/1064590507.db2.gz XQUBEBDCKFOKIS-BJKOFHAPSA-N 0 0 491.474 4.902 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001359890899 1064590653 /nfs/dbraw/zinc/59/06/53/1064590653.db2.gz VXWLUQRBVRVCAX-NRFANRHFSA-N 0 0 452.441 4.993 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001359890871 1064590703 /nfs/dbraw/zinc/59/07/03/1064590703.db2.gz ZSQIUXCFGBJNSY-CXAGYDPISA-N 0 0 457.246 4.528 20 0 JJADRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c(C(F)(F)F)c1 ZINC001359890879 1064590725 /nfs/dbraw/zinc/59/07/25/1064590725.db2.gz ZWPINOYDPVRUKQ-JOCHJYFZSA-N 0 0 454.448 4.728 20 0 JJADRN C[S@@](=O)c1cccc(NC(=O)CCCCCc2ccc(I)cc2)c1 ZINC001435204908 1064590589 /nfs/dbraw/zinc/59/05/89/1064590589.db2.gz BKUPIHVSWJSILF-XMMPIXPASA-N 0 0 455.361 4.770 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001359891040 1064591058 /nfs/dbraw/zinc/59/10/58/1064591058.db2.gz NSIHPZMCFUZNCY-SANMLTNESA-N 0 0 481.666 4.593 20 0 JJADRN Cn1ncc(Br)c1CC(=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC001435205550 1064591458 /nfs/dbraw/zinc/59/14/58/1064591458.db2.gz ZJSRWGTVIMBCFL-UHFFFAOYSA-N 0 0 455.194 4.854 20 0 JJADRN CO[C@H](C)CN(C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(C)C ZINC001435206989 1064591831 /nfs/dbraw/zinc/59/18/31/1064591831.db2.gz JNRVKLNQCUSCHL-MRXNPFEDSA-N 0 0 452.473 4.608 20 0 JJADRN COc1cc(C(=O)Nc2sccc2S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 ZINC001435206519 1064591961 /nfs/dbraw/zinc/59/19/61/1064591961.db2.gz FCHMIZAEQYBMHH-UHFFFAOYSA-N 0 0 451.953 4.645 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2sccc2S(C)(=O)=O)cc1 ZINC001435206700 1064591997 /nfs/dbraw/zinc/59/19/97/1064591997.db2.gz HHHFKZHSQJYKGN-UHFFFAOYSA-N 0 0 454.573 4.880 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)Cc3ccc(C)s3)CC2)c2ccccc12 ZINC001435208222 1064592431 /nfs/dbraw/zinc/59/24/31/1064592431.db2.gz PMKCPHGUQDWTDP-KRWDZBQOSA-N 0 0 450.604 4.818 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1 ZINC001359891792 1064593025 /nfs/dbraw/zinc/59/30/25/1064593025.db2.gz XKDXCNPUVVHTKF-KKSFZXQISA-N 0 0 467.477 4.837 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC001359891791 1064593163 /nfs/dbraw/zinc/59/31/63/1064593163.db2.gz XKDXCNPUVVHTKF-IIBYNOLFSA-N 0 0 467.477 4.837 20 0 JJADRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1cc(F)ccc1F ZINC001435211682 1064593653 /nfs/dbraw/zinc/59/36/53/1064593653.db2.gz DNIUMTHFBAXNIU-DMPWYTOCSA-N 0 0 450.551 4.513 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001359891900 1064593691 /nfs/dbraw/zinc/59/36/91/1064593691.db2.gz YZTLQWXUMKMKHD-KCWPFWIISA-N 0 0 467.658 4.875 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)CCn3nnc4ccccc4c3=O)cc2)c1 ZINC001435212227 1064594260 /nfs/dbraw/zinc/59/42/60/1064594260.db2.gz LCOOFKIVAIRYIP-UHFFFAOYSA-N 0 0 456.546 4.831 20 0 JJADRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001435213216 1064594447 /nfs/dbraw/zinc/59/44/47/1064594447.db2.gz OSVANUGECMMZLD-GOSISDBHSA-N 0 0 454.954 4.763 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC001435213358 1064594683 /nfs/dbraw/zinc/59/46/83/1064594683.db2.gz YLDCDEDICKHWIX-DEOSSOPVSA-N 0 0 454.567 4.568 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CCOCC1 ZINC001359893790 1064594687 /nfs/dbraw/zinc/59/46/87/1064594687.db2.gz IMEYEPWSWJTKCF-AREMUKBSSA-N 0 0 467.614 4.650 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001435213833 1064595063 /nfs/dbraw/zinc/59/50/63/1064595063.db2.gz LUFRLWGONIURAR-GAJHUEQPSA-N 0 0 457.979 4.820 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C ZINC001359894176 1064595285 /nfs/dbraw/zinc/59/52/85/1064595285.db2.gz LMRKBSPPBZRIJH-FNZWTVRRSA-N 0 0 477.694 4.959 20 0 JJADRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC001435214412 1064595632 /nfs/dbraw/zinc/59/56/32/1064595632.db2.gz FTASUROZFCJSCO-ZIAGYGMSSA-N 0 0 450.320 4.708 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001359894860 1064596005 /nfs/dbraw/zinc/59/60/05/1064596005.db2.gz SAOQPVVCBHTCDT-MHECFPHRSA-N 0 0 492.590 4.686 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccn1 ZINC001359894938 1064596020 /nfs/dbraw/zinc/59/60/20/1064596020.db2.gz UUKHGPNSQUULFX-AREMUKBSSA-N 0 0 460.582 4.819 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC001435214818 1064596245 /nfs/dbraw/zinc/59/62/45/1064596245.db2.gz XNLMIXPTXBQYCR-UHFFFAOYSA-N 0 0 452.558 4.523 20 0 JJADRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001435216715 1064597360 /nfs/dbraw/zinc/59/73/60/1064597360.db2.gz NHIASEYQEKOJJN-PKTZIBPZSA-N 0 0 454.615 4.662 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217870 1064597815 /nfs/dbraw/zinc/59/78/15/1064597815.db2.gz UKZIXVVXNOYJNB-ARNLJNQMSA-N 0 0 450.579 4.645 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001359895817 1064597902 /nfs/dbraw/zinc/59/79/02/1064597902.db2.gz INMJSUHABJLFCO-YRTUYQHASA-N 0 0 489.705 4.959 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001359896075 1064598443 /nfs/dbraw/zinc/59/84/43/1064598443.db2.gz NBLXUOHKTHJILC-HFZDXXHNSA-N 0 0 451.590 4.584 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001359896140 1064598494 /nfs/dbraw/zinc/59/84/94/1064598494.db2.gz NNPUBKQWJNHLNS-KJWPAHLWSA-N 0 0 461.050 4.715 20 0 JJADRN CC[C@H]1CCC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001435218639 1064598769 /nfs/dbraw/zinc/59/87/69/1064598769.db2.gz IWDAZJMQUNBKDK-UWVGGRQHSA-N 0 0 454.121 4.891 20 0 JJADRN O=C(CCc1cc(Br)ccc1F)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001435218623 1064598804 /nfs/dbraw/zinc/59/88/04/1064598804.db2.gz IKEBJJHCJARDMU-UHFFFAOYSA-N 0 0 453.739 4.953 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001359896341 1064598757 /nfs/dbraw/zinc/59/87/57/1064598757.db2.gz OZWAJGPGZVARGL-IDISGSTGSA-N 0 0 469.674 4.543 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)Cc1cccc(Br)c1 ZINC001435219654 1064599269 /nfs/dbraw/zinc/59/92/69/1064599269.db2.gz CQCPQKILORAVTR-GHTZIAJQSA-N 0 0 457.412 4.686 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359896726 1064599328 /nfs/dbraw/zinc/59/93/28/1064599328.db2.gz RYJBAMALXWMOJU-PERKRYKHSA-N 0 0 456.528 4.830 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)cc2F)c1 ZINC001435219439 1064599455 /nfs/dbraw/zinc/59/94/55/1064599455.db2.gz BZDQCEZAQNCSFL-NRFANRHFSA-N 0 0 457.347 4.858 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(C)C)CC1 ZINC001359897067 1064599493 /nfs/dbraw/zinc/59/94/93/1064599493.db2.gz VFRKFBNVCDGBCM-JYFHCDHNSA-N 0 0 456.631 4.850 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)Cc1cccc(Br)c1 ZINC001435219838 1064599731 /nfs/dbraw/zinc/59/97/31/1064599731.db2.gz QIUUNZUSQZAHNS-AVRDEDQJSA-N 0 0 459.428 4.897 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1ccc(F)cc1OCC1CC1 ZINC001435219950 1064599754 /nfs/dbraw/zinc/59/97/54/1064599754.db2.gz HQXIICJOPGJRER-UHFFFAOYSA-N 0 0 455.267 4.627 20 0 JJADRN C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1 ZINC001359897419 1064599853 /nfs/dbraw/zinc/59/98/53/1064599853.db2.gz UHEOLELSNCIGEW-VWLOTQADSA-N 0 0 453.542 4.718 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359897327 1064599979 /nfs/dbraw/zinc/59/99/79/1064599979.db2.gz XGVMXJJCCYUTHQ-OFVILXPXSA-N 0 0 464.601 4.586 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359897549 1064600704 /nfs/dbraw/zinc/60/07/04/1064600704.db2.gz ZJWCDYDKKLOVES-DFBJGRDBSA-N 0 0 491.080 4.567 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359897551 1064600711 /nfs/dbraw/zinc/60/07/11/1064600711.db2.gz ZJWCDYDKKLOVES-UQBPGWFLSA-N 0 0 491.080 4.567 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 ZINC001359897556 1064600725 /nfs/dbraw/zinc/60/07/25/1064600725.db2.gz ZKCBSOQLYUIQHU-JJYSHLDKSA-N 0 0 456.631 4.993 20 0 JJADRN CCCc1c(C(=O)N2C[C@@H](C)Cc3ccccc32)nnn1Cc1cccc(Br)c1 ZINC001359897678 1064600806 /nfs/dbraw/zinc/60/08/06/1064600806.db2.gz VVALVMBITHWAAB-INIZCTEOSA-N 0 0 453.384 4.880 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC001435221434 1064601219 /nfs/dbraw/zinc/60/12/19/1064601219.db2.gz XDDJOHXKDDFYOQ-NOZRDPDXSA-N 0 0 451.611 4.528 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCSC)c(Cl)cc1Cl ZINC001435221194 1064601450 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BPVNMCGIPRNJKU-IBGZPJMESA-N 0 0 475.584 4.593 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1C(C)(C)C ZINC001359898659 1064603353 /nfs/dbraw/zinc/60/33/53/1064603353.db2.gz FPHKVXAZKZTKSQ-HYBUGGRVSA-N 0 0 450.574 4.619 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001359898708 1064603406 /nfs/dbraw/zinc/60/34/06/1064603406.db2.gz BOBNDRUQSVKXKB-WNCULLNHSA-N 0 0 456.675 4.892 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001359898811 1064604011 /nfs/dbraw/zinc/60/40/11/1064604011.db2.gz CXJUOHLIDYEEPR-YDCHLWPWSA-N 0 0 475.678 4.615 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359899002 1064604599 /nfs/dbraw/zinc/60/45/99/1064604599.db2.gz FHXXGSKUQLXUBI-WMZHIEFXSA-N 0 0 468.564 4.866 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)c(C(N)=O)c1 ZINC001435224636 1064605421 /nfs/dbraw/zinc/60/54/21/1064605421.db2.gz 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SACPJSHYEMESAX-UHFFFAOYSA-N 0 0 456.399 4.854 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001359933326 1064673724 /nfs/dbraw/zinc/67/37/24/1064673724.db2.gz HHQDYLJJCVIWQG-GOSISDBHSA-N 0 0 455.006 4.695 20 0 JJADRN CC[C@H](C(=O)Nc1ncc(I)cc1C)c1ccc(Br)cc1 ZINC001435299475 1064674424 /nfs/dbraw/zinc/67/44/24/1064674424.db2.gz AMVUFNGJTCKUMY-AWEZNQCLSA-N 0 0 459.125 4.889 20 0 JJADRN C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(-n2cccn2)cc1 ZINC001435300361 1064675329 /nfs/dbraw/zinc/67/53/29/1064675329.db2.gz DOKONAZUNHEMSP-GFCCVEGCSA-N 0 0 451.695 4.621 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001359933677 1064675385 /nfs/dbraw/zinc/67/53/85/1064675385.db2.gz VYOYSYPZUFTQBW-KRWDZBQOSA-N 0 0 494.865 4.998 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001359933613 1064675542 /nfs/dbraw/zinc/67/55/42/1064675542.db2.gz UZHRWXFZAVJOBC-YPMHNXCESA-N 0 0 467.355 4.971 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001359933788 1064676159 /nfs/dbraw/zinc/67/61/59/1064676159.db2.gz NBFCHHNOWQOPPV-QGZVFWFLSA-N 0 0 488.423 4.943 20 0 JJADRN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(C2CCCCC2)no1 ZINC001435302151 1064677029 /nfs/dbraw/zinc/67/70/29/1064677029.db2.gz KSIQIXGCMQFBLZ-CQSZACIVSA-N 0 0 451.493 4.625 20 0 JJADRN CCc1c(Br)cc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1Br ZINC001435302564 1064677738 /nfs/dbraw/zinc/67/77/38/1064677738.db2.gz LDXXFZUJIBXSDS-SFHVURJKSA-N 0 0 453.174 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC001435302453 1064677880 /nfs/dbraw/zinc/67/78/80/1064677880.db2.gz QKJNNPJPFWOXNY-HNNXBMFYSA-N 0 0 455.502 4.703 20 0 JJADRN CCSCC[C@@H](C)NC(=O)c1cc(Br)cc(I)c1C ZINC001435304292 1064678481 /nfs/dbraw/zinc/67/84/81/1064678481.db2.gz SGNNYFLBHQRQSX-SECBINFHSA-N 0 0 456.187 4.624 20 0 JJADRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(-n2cc(Br)cn2)cc1 ZINC001435304219 1064678521 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451.935 4.849 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC001435305627 1064680170 /nfs/dbraw/zinc/68/01/70/1064680170.db2.gz CGSHHUDNLQYOHF-XXBNENTESA-N 0 0 458.624 4.876 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)cs1 ZINC001435306920 1064680973 /nfs/dbraw/zinc/68/09/73/1064680973.db2.gz AXDCOQBIASGLJH-UHFFFAOYSA-N 0 0 456.463 4.969 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001359937745 1064681019 /nfs/dbraw/zinc/68/10/19/1064681019.db2.gz CLIIYJWONINNQB-NRFANRHFSA-N 0 0 485.677 4.556 20 0 JJADRN CCC(=O)c1cc(C(=O)N[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)[C@@H](C)CC)ccc1F ZINC001359937773 1064681039 /nfs/dbraw/zinc/68/10/39/1064681039.db2.gz DUZWKCSYXLGBBF-BXKMTCNYSA-N 0 0 453.558 4.802 20 0 JJADRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435306666 1064681029 /nfs/dbraw/zinc/68/10/29/1064681029.db2.gz MXXIWUHAVKDPQJ-UHFFFAOYSA-N 0 0 457.964 4.910 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938374 1064681424 /nfs/dbraw/zinc/68/14/24/1064681424.db2.gz MMYJMTACJJIAPT-HOYKHHGWSA-N 0 0 454.615 4.675 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938378 1064681552 /nfs/dbraw/zinc/68/15/52/1064681552.db2.gz MMYJMTACJJIAPT-MHECFPHRSA-N 0 0 454.615 4.675 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)Cc1nsc2ccccc12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938313 1064681574 /nfs/dbraw/zinc/68/15/74/1064681574.db2.gz LNASUZDEPPFRDS-BXKMTCNYSA-N 0 0 450.608 4.609 20 0 JJADRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001359937914 1064681630 /nfs/dbraw/zinc/68/16/30/1064681630.db2.gz FLPKIKSTDAUCIJ-SFTDATJTSA-N 0 0 485.677 4.556 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939252 1064682465 /nfs/dbraw/zinc/68/24/65/1064682465.db2.gz VBRWYRIAMMUKHH-AUUYWEPGSA-N 0 0 451.489 4.990 20 0 JJADRN CC(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001359938508 1064682506 /nfs/dbraw/zinc/68/25/06/1064682506.db2.gz KVYFTHZRDROCGP-SFHVURJKSA-N 0 0 492.393 4.961 20 0 JJADRN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359939140 1064682546 /nfs/dbraw/zinc/68/25/46/1064682546.db2.gz QAEJDNPQKUXOLD-UHFFFAOYSA-N 0 0 463.667 4.833 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3CC2)n1CCCCc1nc(C)cs1 ZINC001545890168 1064682527 /nfs/dbraw/zinc/68/25/27/1064682527.db2.gz SKRGITILTHHTAO-UHFFFAOYSA-N 0 0 480.682 4.590 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001435309108 1064683266 /nfs/dbraw/zinc/68/32/66/1064683266.db2.gz UVSIHSUIOPGQOS-UHFFFAOYSA-N 0 0 455.480 4.883 20 0 JJADRN CC(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001359939283 1064683377 /nfs/dbraw/zinc/68/33/77/1064683377.db2.gz SGODFUQLUXTTMB-UHFFFAOYSA-N 0 0 480.510 4.669 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939257 1064683394 /nfs/dbraw/zinc/68/33/94/1064683394.db2.gz VBRWYRIAMMUKHH-LIRRHRJNSA-N 0 0 451.489 4.990 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)CCOc1ccc(C)c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359939521 1064683411 /nfs/dbraw/zinc/68/34/11/1064683411.db2.gz YHHZWDSZOMQCPJ-NIYFSFCBSA-N 0 0 451.611 4.842 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(Br)cnc2OCC2CC2)cc1 ZINC001435308937 1064683475 /nfs/dbraw/zinc/68/34/75/1064683475.db2.gz RXHLMAQXYKQTRR-WIYYLYMNSA-N 0 0 459.384 4.839 20 0 JJADRN CC(C)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359940040 1064684209 /nfs/dbraw/zinc/68/42/09/1064684209.db2.gz DOSZXFDTRKRCEG-UHFFFAOYSA-N 0 0 459.610 4.890 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NCc2ccccc2OC(C)(C)C)[C@H]1c1ccc(OC)cc1 ZINC001435311447 1064684937 /nfs/dbraw/zinc/68/49/37/1064684937.db2.gz NQBIPWBQCQQCSY-RCZVLFRGSA-N 0 0 452.595 4.879 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)NCc2ccccc2OC(C)(C)C)[C@@H]1c1ccc(OC)cc1 ZINC001435311446 1064685138 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452.551 4.557 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cccc(OCC(F)F)n1)CCO2 ZINC001435313660 1064686865 /nfs/dbraw/zinc/68/68/65/1064686865.db2.gz NCTLSKXOSPGFQX-OAQYLSRUSA-N 0 0 454.473 4.900 20 0 JJADRN CC(C)(C)c1cnc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001435314370 1064686889 /nfs/dbraw/zinc/68/68/89/1064686889.db2.gz ZBSHCOJMJVEHHZ-ZDUSSCGKSA-N 0 0 455.367 4.591 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1csc(Br)c1 ZINC001359943818 1064689099 /nfs/dbraw/zinc/68/90/99/1064689099.db2.gz IKJSPMLSYWDPOS-UHFFFAOYSA-N 0 0 482.473 4.776 20 0 JJADRN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001359943722 1064689217 /nfs/dbraw/zinc/68/92/17/1064689217.db2.gz GNRNAZHXSHARFF-UHFFFAOYSA-N 0 0 488.455 4.641 20 0 JJADRN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001359944182 1064689865 /nfs/dbraw/zinc/68/98/65/1064689865.db2.gz OPDWUILGRCUVIM-OAQYLSRUSA-N 0 0 451.619 4.634 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001359944238 1064689933 /nfs/dbraw/zinc/68/99/33/1064689933.db2.gz QCEZPCCHSQCGAX-FQEVSTJZSA-N 0 0 491.105 4.852 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)cc2C1 ZINC001435317787 1064690342 /nfs/dbraw/zinc/69/03/42/1064690342.db2.gz OXUDHNBCWNRLQX-UHFFFAOYSA-N 0 0 458.518 4.837 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001359944389 1064690851 /nfs/dbraw/zinc/69/08/51/1064690851.db2.gz SACRTGZOLMXRCN-PBHICJAKSA-N 0 0 491.352 4.822 20 0 JJADRN O=C(c1nn(-c2ccc(Br)cc2)c2c1CCCC2)N1CCC(C(F)(F)F)CC1 ZINC001435318254 1064691021 /nfs/dbraw/zinc/69/10/21/1064691021.db2.gz RRQQSGLUXKCEIO-UHFFFAOYSA-N 0 0 456.306 4.928 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c2ccccc2O1 ZINC001435318509 1064692028 /nfs/dbraw/zinc/69/20/28/1064692028.db2.gz JMBZBNBWTSJSGY-OAQYLSRUSA-N 0 0 450.560 4.720 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001359944802 1064692520 /nfs/dbraw/zinc/69/25/20/1064692520.db2.gz ZVHGRUULZNPUMP-LJQANCHMSA-N 0 0 451.409 4.527 20 0 JJADRN Cc1cccc(F)c1C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001359945341 1064693344 /nfs/dbraw/zinc/69/33/44/1064693344.db2.gz LYDHADVNKDBELH-LJQANCHMSA-N 0 0 456.514 4.943 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N3CCC([C@H]4CCCCCN4C(C)=O)CC3)CCCC2)c1 ZINC001359945794 1064693384 /nfs/dbraw/zinc/69/33/84/1064693384.db2.gz BAPWZYJIXJXUID-RUZDIDTESA-N 0 0 456.627 4.545 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001359945642 1064693447 /nfs/dbraw/zinc/69/34/47/1064693447.db2.gz QPJXKNMKQBONSO-QHCPKHFHSA-N 0 0 453.489 4.984 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1C ZINC001435319566 1064693696 /nfs/dbraw/zinc/69/36/96/1064693696.db2.gz FEBRMFUDQSDJGX-SFHVURJKSA-N 0 0 454.548 4.560 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccnc3ccccc32)c2ccc(Cl)cc2)c1 ZINC001435320550 1064695052 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CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001359949915 1064702686 /nfs/dbraw/zinc/70/26/86/1064702686.db2.gz YWLSGUFPWMRMBZ-QFIPXVFZSA-N 0 0 451.954 4.628 20 0 JJADRN CN(C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001435331068 1064702765 /nfs/dbraw/zinc/70/27/65/1064702765.db2.gz ADXHEUVTCJHELC-UHFFFAOYSA-N 0 0 452.636 4.963 20 0 JJADRN CCc1ccc([C@@H](NC(=O)c2csc(CC(C)C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331039 1064702819 /nfs/dbraw/zinc/70/28/19/1064702819.db2.gz VJCLIFLICPETFK-HSZRJFAPSA-N 0 0 456.633 4.827 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359950073 1064703177 /nfs/dbraw/zinc/70/31/77/1064703177.db2.gz DNXWIFJFNFWOHB-PMACEKPBSA-N 0 0 476.687 4.676 20 0 JJADRN CCCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435331748 1064703660 /nfs/dbraw/zinc/70/36/60/1064703660.db2.gz GYUBBKJVDKSXRY-FGCOXFRFSA-N 0 0 456.627 4.723 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[C@H]43)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359950118 1064703811 /nfs/dbraw/zinc/70/38/11/1064703811.db2.gz FDBIDCFAJKOTMY-RBBKRZOGSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C3CCC3)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001359950110 1064703838 /nfs/dbraw/zinc/70/38/38/1064703838.db2.gz FBTPXQGDWNPRLF-UHFFFAOYSA-N 0 0 451.619 4.754 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC001359950192 1064704431 /nfs/dbraw/zinc/70/44/31/1064704431.db2.gz BZXFEIVJNRHUKF-TZIWHRDSSA-N 0 0 478.511 4.552 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C3CC3)n2CC(=O)N(C)C2CCCCC2)cc1 ZINC001359950474 1064704830 /nfs/dbraw/zinc/70/48/30/1064704830.db2.gz JDVQTKCIHPGHJG-UHFFFAOYSA-N 0 0 453.631 4.760 20 0 JJADRN CCCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001435333168 1064705457 /nfs/dbraw/zinc/70/54/57/1064705457.db2.gz QISSZDRXQIZVEW-YADHBBJMSA-N 0 0 453.620 4.988 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)cc1 ZINC001359950525 1064705456 /nfs/dbraw/zinc/70/54/56/1064705456.db2.gz KCCFPNAXLUKSCV-NRFANRHFSA-N 0 0 476.687 4.820 20 0 JJADRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435334015 1064705795 /nfs/dbraw/zinc/70/57/95/1064705795.db2.gz QCKAUJNZRSAZJD-HXOBKFHXSA-N 0 0 457.979 4.725 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001359950618 1064705916 /nfs/dbraw/zinc/70/59/16/1064705916.db2.gz LJHBMLAZTOTMSS-GOHWNWGWSA-N 0 0 468.598 4.700 20 0 JJADRN CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(F)c(OCc3ccccc3)c(F)c1)CCC2 ZINC001359950562 1064706088 /nfs/dbraw/zinc/70/60/88/1064706088.db2.gz IWJGKHLDQFLWSN-UHFFFAOYSA-N 0 0 457.498 4.540 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC2CCCCC2)cc1 ZINC001359950713 1064706485 /nfs/dbraw/zinc/70/64/85/1064706485.db2.gz NAVVOMPCQPBQAS-HXUWFJFHSA-N 0 0 453.631 4.617 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCS(C)(=O)=O)cc1 ZINC001359950697 1064706554 /nfs/dbraw/zinc/70/65/54/1064706554.db2.gz MVDORKGQVWAEGQ-OAQYLSRUSA-N 0 0 476.687 4.677 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C4CCC3(C)CC4)n2CCNC(=O)C(C)C)cc1 ZINC001359950872 1064707193 /nfs/dbraw/zinc/70/71/93/1064707193.db2.gz PMRAVQGDDNVFKE-UHFFFAOYSA-N 0 0 453.631 4.664 20 0 JJADRN CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435336345 1064707498 /nfs/dbraw/zinc/70/74/98/1064707498.db2.gz ZMKOCVYZXWOAFO-RUZDIDTESA-N 0 0 450.604 4.764 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001435336217 1064707545 /nfs/dbraw/zinc/70/75/45/1064707545.db2.gz NJGZZCBANRQOIJ-UHFFFAOYSA-N 0 0 453.489 4.776 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC001359950982 1064707722 /nfs/dbraw/zinc/70/77/22/1064707722.db2.gz QPDDZNFIEGYEFM-PFATUAPWSA-N 0 0 470.658 4.926 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001359951043 1064707810 /nfs/dbraw/zinc/70/78/10/1064707810.db2.gz RTSFESFILXYPFH-GEMQDWRSSA-N 0 0 490.714 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC2(C)CCCC2)cc1 ZINC001359951125 1064707978 /nfs/dbraw/zinc/70/79/78/1064707978.db2.gz SAFYHPRUWKUFHG-HXUWFJFHSA-N 0 0 453.631 4.617 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)CCCNC(=O)c1ccccc1)C(F)(F)F ZINC001435336962 1064708095 /nfs/dbraw/zinc/70/80/95/1064708095.db2.gz YBEMUGGOCATQAH-JOCHJYFZSA-N 0 0 459.468 4.846 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCOC2)cc1 ZINC001359951121 1064708277 /nfs/dbraw/zinc/70/82/77/1064708277.db2.gz RZRCNTYHVAATKR-IPJJNNNSSA-N 0 0 496.574 4.953 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC(=O)N(C)C)cc1 ZINC001359951171 1064708694 /nfs/dbraw/zinc/70/86/94/1064708694.db2.gz SVLFUVXJCUFALK-RBBKRZOGSA-N 0 0 455.647 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001359951218 1064708893 /nfs/dbraw/zinc/70/88/93/1064708893.db2.gz UGILBFZETVVXND-VXKWHMMOSA-N 0 0 486.682 4.597 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)Cc2cccs2)cc1 ZINC001359951237 1064709303 /nfs/dbraw/zinc/70/93/03/1064709303.db2.gz UQHPPFJIBRJVBR-RTWAWAEBSA-N 0 0 495.693 4.977 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359951668 1064710546 /nfs/dbraw/zinc/71/05/46/1064710546.db2.gz BNDNRSYIXPCXQZ-SFHVURJKSA-N 0 0 495.590 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCOc2ncccc2F)cc1 ZINC001359951725 1064710836 /nfs/dbraw/zinc/71/08/36/1064710836.db2.gz DGRUEYVWWRBJBR-FQEVSTJZSA-N 0 0 483.588 4.598 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)C2=O)cc1 ZINC001435341978 1064710986 /nfs/dbraw/zinc/71/09/86/1064710986.db2.gz MIDYBWQIMIJJSW-HSZRJFAPSA-N 0 0 459.521 4.620 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)ccc1Cl ZINC001435343092 1064711550 /nfs/dbraw/zinc/71/15/50/1064711550.db2.gz ORVLCKUSOFFPQA-UHFFFAOYSA-N 0 0 452.001 4.750 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@]4(C3)CCCOC4)n2CCC(=O)NC(C)(C)C)cc1 ZINC001359951905 1064711666 /nfs/dbraw/zinc/71/16/66/1064711666.db2.gz JCILLXHJWAZQHV-NDEPHWFRSA-N 0 0 497.684 4.682 20 0 JJADRN CCc1cnc(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)s1 ZINC001435342786 1064711755 /nfs/dbraw/zinc/71/17/55/1064711755.db2.gz KJPCAEIUGYCAMN-MQSCRBSSSA-N 0 0 455.668 4.554 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2C[C@](C)(O)C(C)C)cc1 ZINC001359951952 1064712213 /nfs/dbraw/zinc/71/22/13/1064712213.db2.gz KCKUAGHQLLYJMV-WCYRKSIYSA-N 0 0 470.658 4.640 20 0 JJADRN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(C)c(Cl)cc1I ZINC001435343758 1064712444 /nfs/dbraw/zinc/71/24/44/1064712444.db2.gz ARAOVDGMQPMVKU-ZDUSSCGKSA-N 0 0 457.739 4.965 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC001435344932 1064712977 /nfs/dbraw/zinc/71/29/77/1064712977.db2.gz JFCBCFIOWPUWEZ-DENIHFKCSA-N 0 0 458.558 4.910 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)cc2)n1 ZINC001435345075 1064713289 /nfs/dbraw/zinc/71/32/89/1064713289.db2.gz MXMXDBHIJXEJIZ-UHFFFAOYSA-N 0 0 459.289 4.923 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)/C=C\Sc2ccccc2)c2cc(F)ccc2F)c1 ZINC001435345106 1064713342 /nfs/dbraw/zinc/71/33/42/1064713342.db2.gz GZOAINZLPSJEQC-WHIOSMTNSA-N 0 0 459.539 4.880 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC(=O)NCC2CC2)cc1 ZINC001359952083 1064713682 /nfs/dbraw/zinc/71/36/82/1064713682.db2.gz MLMVMFDSLUTHPO-UHFFFAOYSA-N 0 0 453.631 4.523 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC001435346092 1064713927 /nfs/dbraw/zinc/71/39/27/1064713927.db2.gz DZSQVTJYAVIHPU-CQSZACIVSA-N 0 0 454.445 4.927 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952284 1064714697 /nfs/dbraw/zinc/71/46/97/1064714697.db2.gz RNRWODNJRDQQPV-GHTZIAJQSA-N 0 0 493.574 4.817 20 0 JJADRN CC(C)OC(=O)[C@H](C)CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001435348027 1064715019 /nfs/dbraw/zinc/71/50/19/1064715019.db2.gz CEUBGSRHRPYAIZ-CQSZACIVSA-N 0 0 452.382 4.766 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCCC2 ZINC001435348324 1064715067 /nfs/dbraw/zinc/71/50/67/1064715067.db2.gz FDYIIYSKBMMYOA-ZDBRZOJVSA-N 0 0 454.567 4.746 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CC2([S@](C)=O)CC2)cc1 ZINC001359952411 1064715097 /nfs/dbraw/zinc/71/50/97/1064715097.db2.gz VLOSZXXRGRORDI-CGKQSPDFSA-N 0 0 458.672 4.908 20 0 JJADRN CC[C@H](Cc1ccccc1)C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC001435348504 1064715613 /nfs/dbraw/zinc/71/56/13/1064715613.db2.gz XPIBMQIMQOFWSE-KOSHJBKYSA-N 0 0 457.542 4.843 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCN2CCOCC2(C)C)cc1 ZINC001359952510 1064715676 /nfs/dbraw/zinc/71/56/76/1064715676.db2.gz XHZDDNZHRDIRIR-UHFFFAOYSA-N 0 0 491.627 4.716 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H]2COCCO2)cc1 ZINC001359952511 1064715804 /nfs/dbraw/zinc/71/58/04/1064715804.db2.gz XIGHPGZVLMJUAN-OFNKIYASSA-N 0 0 456.631 4.658 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCCC2(F)F)cc1 ZINC001359952639 1064716210 /nfs/dbraw/zinc/71/62/10/1064716210.db2.gz YLMAMHYUVXNQBE-SFTDATJTSA-N 0 0 489.611 4.897 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2CC(F)(F)C2)cc1 ZINC001359952671 1064716282 /nfs/dbraw/zinc/71/62/82/1064716282.db2.gz ZMNQCUUIEJLTBX-GOSISDBHSA-N 0 0 475.584 4.507 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C12CCCC2 ZINC001435350512 1064716627 /nfs/dbraw/zinc/71/66/27/1064716627.db2.gz RTSRAYSMGJVOJZ-ZWKOTPCHSA-N 0 0 459.940 4.824 20 0 JJADRN Cc1ccc(C2(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)CCOCC2)cc1C ZINC001359953116 1064716764 /nfs/dbraw/zinc/71/67/64/1064716764.db2.gz CVYRXKJCJOGTBB-SANMLTNESA-N 0 0 456.586 4.718 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)/C(=C/c2ccccc2)C(F)(F)F)c1 ZINC001359952741 1064716782 /nfs/dbraw/zinc/71/67/82/1064716782.db2.gz GFLMWJOBEQHOJM-HMAPJEAMSA-N 0 0 453.464 4.763 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)Cc2sc(SC3CCCC3)nc2C)n1 ZINC001435351247 1064717094 /nfs/dbraw/zinc/71/70/94/1064717094.db2.gz YXWJYVZDXCGAGE-AWEZNQCLSA-N 0 0 458.609 4.965 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1)c1cc(Br)cnc1Br ZINC001435351305 1064717152 /nfs/dbraw/zinc/71/71/52/1064717152.db2.gz HYLHKCDPZNUOQK-UHFFFAOYSA-N 0 0 452.903 4.761 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccccc1OCc1ccncc1 ZINC001359953600 1064717206 /nfs/dbraw/zinc/71/72/06/1064717206.db2.gz NUZZPWXPKOKMTR-VWLOTQADSA-N 0 0 451.526 4.640 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c2cccnc2c1C ZINC001435350821 1064717352 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AYHTWZXNUQMDCY-MHZLTWQESA-N 0 0 480.657 4.793 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001359954242 1064718836 /nfs/dbraw/zinc/71/88/36/1064718836.db2.gz CYKXHKFYPTUFPF-VWEIPLKFSA-N 0 0 470.658 4.781 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC001435354123 1064719580 /nfs/dbraw/zinc/71/95/80/1064719580.db2.gz BMVSXGXTGRNVMR-UHFFFAOYSA-N 0 0 452.457 4.543 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001435354869 1064720078 /nfs/dbraw/zinc/72/00/78/1064720078.db2.gz SRDSPKLAICNPPL-WSWWRLHASA-N 0 0 465.034 4.858 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS2)CC1 ZINC001359954552 1064720482 /nfs/dbraw/zinc/72/04/82/1064720482.db2.gz LGIHVNCJTNIVQT-IBGZPJMESA-N 0 0 450.052 4.921 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2CCc2cc(C(F)(F)F)ccn2)cc1 ZINC001359954666 1064720995 /nfs/dbraw/zinc/72/09/95/1064720995.db2.gz KBSGTYPEXJYAFW-UHFFFAOYSA-N 0 0 489.542 4.863 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCC(C)(C)O)cc1 ZINC001359954676 1064721037 /nfs/dbraw/zinc/72/10/37/1064721037.db2.gz KDXWVJVPYXRCDJ-QFIPXVFZSA-N 0 0 458.647 4.782 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC=CCO2)CC1 ZINC001359954813 1064721673 /nfs/dbraw/zinc/72/16/73/1064721673.db2.gz QUMFUHXYKSOYNK-UNMCSNQZSA-N 0 0 472.605 4.934 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 ZINC001435357583 1064721503 /nfs/dbraw/zinc/72/15/03/1064721503.db2.gz UHKSBFRUAYPLMI-UHFFFAOYSA-N 0 0 457.523 4.998 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC001435357735 1064722173 /nfs/dbraw/zinc/72/21/73/1064722173.db2.gz WDWWJIPRRQORNW-KRWDZBQOSA-N 0 0 458.942 4.665 20 0 JJADRN O=C(Cc1ccn(CC(F)(F)F)n1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001435358013 1064722267 /nfs/dbraw/zinc/72/22/67/1064722267.db2.gz DNGSUWJBSDTANR-UHFFFAOYSA-N 0 0 458.322 4.769 20 0 JJADRN C[C@H](OC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1nc2cc(Cl)ccc2n1C ZINC001435359647 1064723621 /nfs/dbraw/zinc/72/36/21/1064723621.db2.gz BCLBFMZYCBXVPG-UPCLLVRISA-N 0 0 455.942 4.880 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC001359955219 1064723756 /nfs/dbraw/zinc/72/37/56/1064723756.db2.gz XUIBSRKMSVSEGZ-VWLOTQADSA-N 0 0 483.701 4.681 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC001359955240 1064723988 /nfs/dbraw/zinc/72/39/88/1064723988.db2.gz SEXBEGWVJVTNKS-FPOVZHCZSA-N 0 0 493.574 4.675 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001435362112 1064724327 /nfs/dbraw/zinc/72/43/27/1064724327.db2.gz QHUIVCKTPYMXJR-RBUKOAKNSA-N 0 0 456.823 4.854 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCn2ccnn2)cc1 ZINC001359955328 1064724298 /nfs/dbraw/zinc/72/42/98/1064724298.db2.gz SUTVERXGODTVJA-WIYYLYMNSA-N 0 0 491.562 4.686 20 0 JJADRN CCN(C(=O)c1cc2cc(Br)cc(C)c2o1)c1ccccc1S(=O)(=O)CC ZINC001435362879 1064724467 /nfs/dbraw/zinc/72/44/67/1064724467.db2.gz JGXXNCLUDHCAHN-UHFFFAOYSA-N 0 0 450.354 4.964 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccco2)cc1 ZINC001359955567 1064724924 /nfs/dbraw/zinc/72/49/24/1064724924.db2.gz YAMKEHANCVWTIV-FQEVSTJZSA-N 0 0 464.488 4.779 20 0 JJADRN CCN(C(=O)C[C@H](C)c1ccc(F)c(Br)c1)c1ccccc1S(=O)(=O)CC ZINC001435365084 1064725788 /nfs/dbraw/zinc/72/57/88/1064725788.db2.gz VDWIZNLGQMZOJK-AWEZNQCLSA-N 0 0 456.377 4.929 20 0 JJADRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2)c1 ZINC001359957275 1064726003 /nfs/dbraw/zinc/72/60/03/1064726003.db2.gz OLWREERFBNUIMY-UHFFFAOYSA-N 0 0 457.530 4.637 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001359957923 1064726532 /nfs/dbraw/zinc/72/65/32/1064726532.db2.gz HMMNPOVXFPKKTO-UHFFFAOYSA-N 0 0 468.671 4.924 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 ZINC001359957850 1064726545 /nfs/dbraw/zinc/72/65/45/1064726545.db2.gz FOYDJDGQCDNDBG-MHZLTWQESA-N 0 0 467.658 4.875 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC001435366910 1064726880 /nfs/dbraw/zinc/72/68/80/1064726880.db2.gz QROMKSUEMLGAPE-UHFFFAOYSA-N 0 0 452.942 4.579 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001359958045 1064726928 /nfs/dbraw/zinc/72/69/28/1064726928.db2.gz KYURSPOXDRYTRA-WOJBJXKFSA-N 0 0 476.612 4.851 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001359958153 1064727234 /nfs/dbraw/zinc/72/72/34/1064727234.db2.gz NIOPORORTRBDAC-LJQANCHMSA-N 0 0 456.660 4.650 20 0 JJADRN CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c2cc(Cl)ccc21 ZINC001435368046 1064727256 /nfs/dbraw/zinc/72/72/56/1064727256.db2.gz OLCCGRGUICTFJP-GOSISDBHSA-N 0 0 452.769 4.734 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359958157 1064727454 /nfs/dbraw/zinc/72/74/54/1064727454.db2.gz NLAMXSGZWPKPSD-HXUWFJFHSA-N 0 0 499.647 4.846 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001359958404 1064727945 /nfs/dbraw/zinc/72/79/45/1064727945.db2.gz UZFDHJRATUYINX-UHFFFAOYSA-N 0 0 455.553 4.622 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2cn3cccc(C)c3n2)cc1 ZINC001435368849 1064727811 /nfs/dbraw/zinc/72/78/11/1064727811.db2.gz RSVIJAYFGMNRLF-UHFFFAOYSA-N 0 0 458.587 4.654 20 0 JJADRN Cc1nc(NC(=O)c2cc(Cl)ccc2Br)ccc1I ZINC001435372049 1064728181 /nfs/dbraw/zinc/72/81/81/1064728181.db2.gz JOAUOUGWAHKMMK-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001359958424 1064728276 /nfs/dbraw/zinc/72/82/76/1064728276.db2.gz VYQMLQPWLNYZKH-LADGPHEKSA-N 0 0 455.647 4.648 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001359958482 1064728422 /nfs/dbraw/zinc/72/84/22/1064728422.db2.gz XPMPZTAJESIHBT-IBGZPJMESA-N 0 0 481.563 4.666 20 0 JJADRN CCCCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1OCC ZINC001435371811 1064728339 /nfs/dbraw/zinc/72/83/39/1064728339.db2.gz HWRALLUFVWVFSO-UHFFFAOYSA-N 0 0 454.308 4.825 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC001435372528 1064728421 /nfs/dbraw/zinc/72/84/21/1064728421.db2.gz SVBUYVINSPGWEY-UYRXBGFRSA-N 0 0 456.380 4.573 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 ZINC001359958587 1064728640 /nfs/dbraw/zinc/72/86/40/1064728640.db2.gz AGOJSOYYWXSFQW-UHFFFAOYSA-N 0 0 494.478 4.648 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)C ZINC001359958600 1064728842 /nfs/dbraw/zinc/72/88/42/1064728842.db2.gz AUFKFOOWRMOVAX-UHFFFAOYSA-N 0 0 454.457 4.981 20 0 JJADRN COc1cccc(CO[C@@H](C)C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)c1 ZINC001435374551 1064728755 /nfs/dbraw/zinc/72/87/55/1064728755.db2.gz AGNACQVLVDGIHW-RTWAWAEBSA-N 0 0 458.558 4.959 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCN(c4ccc(C)c(C)c4)C[C@@H]3C)cc2)c1 ZINC001435373252 1064728858 /nfs/dbraw/zinc/72/88/58/1064728858.db2.gz 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ZINC001359960754 1064732677 /nfs/dbraw/zinc/73/26/77/1064732677.db2.gz CTYZOLHDWNTTHS-XZOQPEGZSA-N 0 0 478.584 4.829 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001435384253 1064732797 /nfs/dbraw/zinc/73/27/97/1064732797.db2.gz GRPYCNZSIJORAC-JOCHJYFZSA-N 0 0 457.534 4.699 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)ccc2C)ccn1 ZINC001435384669 1064733400 /nfs/dbraw/zinc/73/34/00/1064733400.db2.gz KCRLCLSIXREAQZ-JOCHJYFZSA-N 0 0 451.910 4.795 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@H]1c1ccc(OC)cc1 ZINC001435386432 1064733680 /nfs/dbraw/zinc/73/36/80/1064733680.db2.gz OOELZCVIKBCOQD-ATIYNZHBSA-N 0 0 458.562 4.871 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)ccc2C)ccn1 ZINC001435385612 1064733927 /nfs/dbraw/zinc/73/39/27/1064733927.db2.gz RCTZRZOVTXKVIG-UHFFFAOYSA-N 0 0 459.424 4.622 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001359961539 1064734209 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QBRPTFAXTNZLHS-UHFFFAOYSA-N 0 0 455.923 4.755 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001435388947 1064734967 /nfs/dbraw/zinc/73/49/67/1064734967.db2.gz VURSTHAIFSBQCM-YTTGMZPUSA-N 0 0 458.465 4.998 20 0 JJADRN CC(C)CCOCCCn1c(CC2CCCC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001359961986 1064735346 /nfs/dbraw/zinc/73/53/46/1064735346.db2.gz KESLNFKOAFCMPQ-ZRZAMGCNSA-N 0 0 489.705 4.767 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 ZINC001359962116 1064735428 /nfs/dbraw/zinc/73/54/28/1064735428.db2.gz OESODUMGTUWYGB-WRDKKKNXSA-N 0 0 491.677 4.561 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001359963783 1064736337 /nfs/dbraw/zinc/73/63/37/1064736337.db2.gz AZKLLQZWEYNAEU-GOSISDBHSA-N 0 0 485.629 4.542 20 0 JJADRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CCc1nc(-c2ccccn2)no1 ZINC001435392729 1064736550 /nfs/dbraw/zinc/73/65/50/1064736550.db2.gz LIJUPUDHUQOHSE-ZDUSSCGKSA-N 0 0 457.321 4.816 20 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ZINC001359964286 1064738362 /nfs/dbraw/zinc/73/83/62/1064738362.db2.gz QQLRUNFNSMKHGO-IBGZPJMESA-N 0 0 480.009 4.835 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359964521 1064738838 /nfs/dbraw/zinc/73/88/38/1064738838.db2.gz YBHACAVIHZCUDI-LAUBAEHRSA-N 0 0 492.546 4.554 20 0 JJADRN C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(I)cc2Br)C1 ZINC001435397555 1064738758 /nfs/dbraw/zinc/73/87/58/1064738758.db2.gz YPLKTJNDBSZZTD-CMPLNLGQSA-N 0 0 452.130 4.588 20 0 JJADRN O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1I ZINC001435396702 1064738832 /nfs/dbraw/zinc/73/88/32/1064738832.db2.gz TXKMUDZQQKSYGI-UHFFFAOYSA-N 0 0 453.173 4.900 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(F)cc1I ZINC001435397363 1064738858 /nfs/dbraw/zinc/73/88/58/1064738858.db2.gz UALQZICERJHPPP-UHFFFAOYSA-N 0 0 451.235 4.869 20 0 JJADRN Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC001435398346 1064739262 /nfs/dbraw/zinc/73/92/62/1064739262.db2.gz 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Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)n1 ZINC001435414593 1064745961 /nfs/dbraw/zinc/74/59/61/1064745961.db2.gz DONPYSUGWAEVEK-SFHVURJKSA-N 0 0 458.484 4.969 20 0 JJADRN CC[C@H]1CN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC[C@H]1c1ccccc1 ZINC001435415422 1064746423 /nfs/dbraw/zinc/74/64/23/1064746423.db2.gz FQEUCDWDGJQOQS-PKOBYXMFSA-N 0 0 453.384 4.994 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC001435416095 1064746511 /nfs/dbraw/zinc/74/65/11/1064746511.db2.gz POHRUZFASDQUHY-GOSISDBHSA-N 0 0 456.995 4.927 20 0 JJADRN Cc1nc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)s1 ZINC001435415881 1064746517 /nfs/dbraw/zinc/74/65/17/1064746517.db2.gz SRIHYXVHOCNBBS-UHFFFAOYSA-N 0 0 453.948 4.630 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnc2n1CCCCC2 ZINC001359970847 1064746991 /nfs/dbraw/zinc/74/69/91/1064746991.db2.gz GMZZUSGVQQSPLU-QGZVFWFLSA-N 0 0 458.010 4.530 20 0 JJADRN CC(C)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnc2n1CCCCC2 ZINC001359970846 1064747057 /nfs/dbraw/zinc/74/70/57/1064747057.db2.gz GMZZUSGVQQSPLU-KRWDZBQOSA-N 0 0 458.010 4.530 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359970800 1064747191 /nfs/dbraw/zinc/74/71/91/1064747191.db2.gz DXRIBLFIQSAEPB-UHFFFAOYSA-N 0 0 493.450 4.695 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCCOc1ccc(F)cc1F ZINC001435417824 1064747612 /nfs/dbraw/zinc/74/76/12/1064747612.db2.gz CJVLHYFTABCAOE-UHFFFAOYSA-N 0 0 456.276 4.840 20 0 JJADRN COC(=O)c1sc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)nc1C(C)(C)C ZINC001435419232 1064748039 /nfs/dbraw/zinc/74/80/39/1064748039.db2.gz IIONMPHBJOXMGG-UHFFFAOYSA-N 0 0 451.548 4.756 20 0 JJADRN COC(=O)c1sc(NC(=O)CSCc2ccc(Br)cc2)nc1C(C)(C)C ZINC001435419042 1064748068 /nfs/dbraw/zinc/74/80/68/1064748068.db2.gz DTLOSILBWZRELX-UHFFFAOYSA-N 0 0 457.415 4.862 20 0 JJADRN O=C(CCOc1ccccc1I)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001435419083 1064748110 /nfs/dbraw/zinc/74/81/10/1064748110.db2.gz FXTLWYVFHJVXHD-STQMWFEESA-N 0 0 455.258 4.545 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc1 ZINC001359971667 1064748685 /nfs/dbraw/zinc/74/86/85/1064748685.db2.gz FFDOGQQOSKYDLY-QHCPKHFHSA-N 0 0 458.558 4.721 20 0 JJADRN COC(=O)CSCc1cccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC001359971955 1064748699 /nfs/dbraw/zinc/74/86/99/1064748699.db2.gz FMZPXBQHGOCGGN-CYBMUJFWSA-N 0 0 454.361 4.812 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC001359972399 1064749305 /nfs/dbraw/zinc/74/93/05/1064749305.db2.gz MDFTYEYDQIUWIO-LBPRGKRZSA-N 0 0 458.274 4.529 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)cc1 ZINC001359972516 1064749317 /nfs/dbraw/zinc/74/93/17/1064749317.db2.gz XPKINGREMZFEFI-UHFFFAOYSA-N 0 0 456.539 4.543 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc2ccccc2o1 ZINC001435421977 1064749672 /nfs/dbraw/zinc/74/96/72/1064749672.db2.gz FKNSKZKEBFBLHZ-SANMLTNESA-N 0 0 450.535 4.766 20 0 JJADRN 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O=C(Cc1cccnc1)Nc1ccc(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC001359976764 1064753059 /nfs/dbraw/zinc/75/30/59/1064753059.db2.gz CPZKFGZSNFQFMQ-SANMLTNESA-N 0 0 451.526 4.813 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1 ZINC001359976763 1064753195 /nfs/dbraw/zinc/75/31/95/1064753195.db2.gz CPZKFGZSNFQFMQ-AREMUKBSSA-N 0 0 451.526 4.813 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC001435431361 1064752994 /nfs/dbraw/zinc/75/29/94/1064752994.db2.gz ZCZLIJDHSJALGL-UHFFFAOYSA-N 0 0 450.514 4.597 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc([C@H](C)O)cc1 ZINC001359976938 1064753557 /nfs/dbraw/zinc/75/35/57/1064753557.db2.gz ARDBAYDQODHUPF-SIKLNZKXSA-N 0 0 471.646 4.586 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccccc1F ZINC001359977266 1064753606 /nfs/dbraw/zinc/75/36/06/1064753606.db2.gz FNIKVBRZDULJNI-HXUWFJFHSA-N 0 0 459.610 4.867 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc2c1OCCCO2 ZINC001359977558 1064753622 /nfs/dbraw/zinc/75/36/22/1064753622.db2.gz JDMMDXLPAODUTL-UHFFFAOYSA-N 0 0 499.656 4.694 20 0 JJADRN CC[C@@H](CNC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1)Oc1cccc(C(F)(F)F)c1 ZINC001435432683 1064753992 /nfs/dbraw/zinc/75/39/92/1064753992.db2.gz CRTXCGUKHWJYLU-AWEZNQCLSA-N 0 0 451.411 4.938 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001435432754 1064754061 /nfs/dbraw/zinc/75/40/61/1064754061.db2.gz DWLMRFYYNALLIP-ZYSBOAIWSA-N 0 0 450.589 4.566 20 0 JJADRN CC(C)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOc1ccc(Cl)cn1 ZINC001359978197 1064754011 /nfs/dbraw/zinc/75/40/11/1064754011.db2.gz RQMBLNUOBWHSMN-UHFFFAOYSA-N 0 0 493.052 4.612 20 0 JJADRN CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC)cc1 ZINC001359978791 1064754444 /nfs/dbraw/zinc/75/44/44/1064754444.db2.gz JYJDPAORVLBQCE-UWJYYQICSA-N 0 0 459.384 4.858 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOc2ccccc21 ZINC001359979359 1064755036 /nfs/dbraw/zinc/75/50/36/1064755036.db2.gz DBQBDTBHZFNZJM-IRLDBZIGSA-N 0 0 499.656 4.635 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)CCCc2ccc(F)c(F)c2)c2ccc(Cl)cc2)CCO1 ZINC001359980365 1064755460 /nfs/dbraw/zinc/75/54/60/1064755460.db2.gz JBWIZQXBYRYRSS-JOCHJYFZSA-N 0 0 450.957 4.909 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCCn1cc(Br)cn1 ZINC001359980022 1064755528 /nfs/dbraw/zinc/75/55/28/1064755528.db2.gz YMJNJWINEGMHHC-UHFFFAOYSA-N 0 0 481.389 4.679 20 0 JJADRN COC(=O)C1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC001359980227 1064755543 /nfs/dbraw/zinc/75/55/43/1064755543.db2.gz FWMNQUKJXUGTIH-UHFFFAOYSA-N 0 0 451.954 4.583 20 0 JJADRN CN(Cc1nccs1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001435435282 1064755542 /nfs/dbraw/zinc/75/55/42/1064755542.db2.gz ONRHVEKNEKTRPT-UHFFFAOYSA-N 0 0 451.808 4.606 20 0 JJADRN C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1noc(Cc2ccccc2)n1 ZINC001435435043 1064755604 /nfs/dbraw/zinc/75/56/04/1064755604.db2.gz CWAKCCDLYCSGJE-XLIONFOSSA-N 0 0 456.587 4.701 20 0 JJADRN COc1cccc([C@H](NC(=O)c2ccc(NC(C)=O)c(Cl)c2)c2cc(F)ccc2OC)c1 ZINC001435435276 1064755634 /nfs/dbraw/zinc/75/56/34/1064755634.db2.gz OMPUGRSWNJOAHG-QHCPKHFHSA-N 0 0 456.901 4.974 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001435434466 1064755700 /nfs/dbraw/zinc/75/57/00/1064755700.db2.gz MGMBGEMDUIZQMQ-XMSQKQJNSA-N 0 0 458.624 4.703 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001359980561 1064756041 /nfs/dbraw/zinc/75/60/41/1064756041.db2.gz CWYINALHZWLYMD-QFIPXVFZSA-N 0 0 466.033 4.565 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359980615 1064756172 /nfs/dbraw/zinc/75/61/72/1064756172.db2.gz FVUVDVPUOLODKX-TZIWHRDSSA-N 0 0 452.647 4.839 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359980985 1064756267 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CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCNC(=O)OC(C)(C)C ZINC001359982901 1064758617 /nfs/dbraw/zinc/75/86/17/1064758617.db2.gz NUARPLZCNKILBP-RTBURBONSA-N 0 0 451.656 4.594 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC001435441435 1064759261 /nfs/dbraw/zinc/75/92/61/1064759261.db2.gz VBNNCIZQISFKCH-REWPJTCUSA-N 0 0 454.979 4.913 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)C1CCCC1 ZINC001359983023 1064759255 /nfs/dbraw/zinc/75/92/55/1064759255.db2.gz KLDQQUPYNSKNCH-SFTDATJTSA-N 0 0 473.637 4.683 20 0 JJADRN CC(C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001359983109 1064759339 /nfs/dbraw/zinc/75/93/39/1064759339.db2.gz RIQIIYZFPDJUPR-LJQANCHMSA-N 0 0 474.078 4.719 20 0 JJADRN O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001435442367 1064759304 /nfs/dbraw/zinc/75/93/04/1064759304.db2.gz UIRMAIAHMXADSH-UHFFFAOYSA-N 0 0 450.343 4.759 20 0 JJADRN CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1CC1(c2cccc(F)c2)CC1)C(C)C ZINC001359983267 1064759729 /nfs/dbraw/zinc/75/97/29/1064759729.db2.gz NGBMHAWMFJSGKG-UHFFFAOYSA-N 0 0 450.562 4.667 20 0 JJADRN CCc1cc(N2CCC(NC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)CC2)ncn1 ZINC001435442765 1064759867 /nfs/dbraw/zinc/75/98/67/1064759867.db2.gz VTBSVHKBXCHEBI-XMMPIXPASA-N 0 0 450.583 4.797 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(C1)OCCO2)C(C)C ZINC001359983395 1064760246 /nfs/dbraw/zinc/76/02/46/1064760246.db2.gz PHAYYBZIYWHWCA-VQTJNVASSA-N 0 0 460.594 4.971 20 0 JJADRN CC(C)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001359983493 1064760277 /nfs/dbraw/zinc/76/02/77/1064760277.db2.gz ZVEMFFBOXYJWMN-CMKODMSKSA-N 0 0 475.609 4.748 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(C1)OCCO2)C(C)C ZINC001359983396 1064760375 /nfs/dbraw/zinc/76/03/75/1064760375.db2.gz PHAYYBZIYWHWCA-WOJBJXKFSA-N 0 0 460.594 4.971 20 0 JJADRN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1(C)C ZINC001435444737 1064760706 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KHSNCGGEBBCWQG-ZDUSSCGKSA-N 0 0 457.918 4.552 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2ccccc2s1)C1CCCC1 ZINC001359983749 1064761355 /nfs/dbraw/zinc/76/13/55/1064761355.db2.gz XWVIBBJZBIXOTR-QGZVFWFLSA-N 0 0 475.684 4.556 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCOCC1)C(C)C ZINC001359983811 1064761448 /nfs/dbraw/zinc/76/14/48/1064761448.db2.gz ZCQKEZOCRFABNH-FQEVSTJZSA-N 0 0 461.626 4.539 20 0 JJADRN COc1ccc(-c2cc(C(=O)Oc3ccccc3C(=O)N(C)C)c3ccccc3n2)cc1OC ZINC001435447920 1064763026 /nfs/dbraw/zinc/76/30/26/1064763026.db2.gz CMPXLJNSBUJULS-UHFFFAOYSA-N 0 0 456.498 4.840 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Br)c2)n1CCN1CCOC(C)(C)C1)C(C)C ZINC001359984942 1064763147 /nfs/dbraw/zinc/76/31/47/1064763147.db2.gz FHRWDWUEYMJWFU-UHFFFAOYSA-N 0 0 478.479 4.689 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N1CCOCC1)C1CCCC1 ZINC001359985136 1064763285 /nfs/dbraw/zinc/76/32/85/1064763285.db2.gz HIARLAVHYJYYFK-LJQANCHMSA-N 0 0 490.490 4.833 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCc1ccco1)C(C)C ZINC001359984848 1064763302 /nfs/dbraw/zinc/76/33/02/1064763302.db2.gz CWMTUTSXBDVELB-SFHVURJKSA-N 0 0 469.655 4.912 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCCC1)C1CCCC1 ZINC001359985253 1064763807 /nfs/dbraw/zinc/76/38/07/1064763807.db2.gz JYBWJRTXHLXYRH-MHZLTWQESA-N 0 0 489.705 4.516 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)Cc1cccs1)C(C)C ZINC001359985167 1064763938 /nfs/dbraw/zinc/76/39/38/1064763938.db2.gz IPVOZPHWAGHMEV-LJQANCHMSA-N 0 0 464.643 4.732 20 0 JJADRN CC(C)CN(c1nnc(-c2cc(F)ccc2Br)n1CCn1cncn1)C1CCCC1 ZINC001359985478 1064764279 /nfs/dbraw/zinc/76/42/79/1064764279.db2.gz MDGKXCATTYIASL-UHFFFAOYSA-N 0 0 476.398 4.543 20 0 JJADRN COc1cc(CN2CCN(C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC001435451745 1064764681 /nfs/dbraw/zinc/76/46/81/1064764681.db2.gz IHIJEJGEQWFCRY-KRWDZBQOSA-N 0 0 450.501 4.561 20 0 JJADRN COc1ncc(C)cc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001435451191 1064764746 /nfs/dbraw/zinc/76/47/46/1064764746.db2.gz XTOXMLKZSMVBOC-UHFFFAOYSA-N 0 0 459.424 4.687 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCSC1)C1CCCC1 ZINC001359985574 1064764810 /nfs/dbraw/zinc/76/48/10/1064764810.db2.gz NHNLLJACBISGKV-QHCPKHFHSA-N 0 0 466.598 4.820 20 0 JJADRN CC(C)CN(c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)C(C)(C)C)C(C)C ZINC001359985578 1064764822 /nfs/dbraw/zinc/76/48/22/1064764822.db2.gz NJUIUDVRVJJBHC-UHFFFAOYSA-N 0 0 451.562 4.580 20 0 JJADRN COc1cc(CN2CCN(C(=O)[C@@H]3CCCC[C@H]3c3cccc(Cl)c3)CC2)cc(OC)c1 ZINC001435452437 1064765278 /nfs/dbraw/zinc/76/52/78/1064765278.db2.gz MOKZPFIGZOVGHG-LOSJGSFVSA-N 0 0 457.014 4.975 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCO[C@@H]1C)C(C)C ZINC001359985929 1064765285 /nfs/dbraw/zinc/76/52/85/1064765285.db2.gz RZQREKHCSIMDNZ-QVKFZJNVSA-N 0 0 485.854 4.772 20 0 JJADRN CC(C)CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCO[C@H]1C)C(C)C ZINC001359985931 1064765314 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QPNNJJKKERDQAI-XGRCMKMKSA-N 0 0 451.394 4.557 20 0 JJADRN CCn1nc(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)ccc1=O ZINC001435457388 1064768083 /nfs/dbraw/zinc/76/80/83/1064768083.db2.gz CDOTWWADBGIFJL-UHFFFAOYSA-N 0 0 455.337 4.555 20 0 JJADRN CC(C)CN(c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(F)(F)F)c1)C(C)C ZINC001359987803 1064768599 /nfs/dbraw/zinc/76/85/99/1064768599.db2.gz XMPMYZLZXCUYHQ-UHFFFAOYSA-N 0 0 493.530 4.866 20 0 JJADRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)/C=C/c2csc(C(F)(F)F)c2)cc1 ZINC001435459050 1064768988 /nfs/dbraw/zinc/76/89/88/1064768988.db2.gz JFGYMJWNASKUGI-VQCVXAJWSA-N 0 0 454.514 4.953 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCc1ccccc1Sc1ccccc1)C[C@@H]1CCCO1 ZINC001359988154 1064769153 /nfs/dbraw/zinc/76/91/53/1064769153.db2.gz VHUVFDASXVKRIH-FQEVSTJZSA-N 0 0 456.608 4.870 20 0 JJADRN C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(F)cccc1-n1cccn1 ZINC001435459448 1064769587 /nfs/dbraw/zinc/76/95/87/1064769587.db2.gz LAWYSWYSNYEUNY-WMZOPIPTSA-N 0 0 455.917 4.821 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)CNC(=O)OC(C)(C)C)C(C)C ZINC001359988959 1064769819 /nfs/dbraw/zinc/76/98/19/1064769819.db2.gz AIKKAVQFAKMWFF-KRWDZBQOSA-N 0 0 459.582 4.551 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC(F)(F)F)C(C)C ZINC001359989170 1064770237 /nfs/dbraw/zinc/77/02/37/1064770237.db2.gz GETVBTWADRBXJI-SFHVURJKSA-N 0 0 455.525 4.775 20 0 JJADRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2csc(-c3ccccc3C)n2)cc1 ZINC001435460951 1064770663 /nfs/dbraw/zinc/77/06/63/1064770663.db2.gz WEXRKFFCPULIGQ-GOSISDBHSA-N 0 0 451.592 4.905 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(F)(F)F ZINC001435461228 1064770775 /nfs/dbraw/zinc/77/07/75/1064770775.db2.gz OIRMAZSCGIKTOB-TZIWHRDSSA-N 0 0 458.436 4.952 20 0 JJADRN CCc1c(C(=O)Nc2cnn(-c3ccccc3F)c2)cnn1-c1ccc(Br)cc1 ZINC001435461252 1064770903 /nfs/dbraw/zinc/77/09/03/1064770903.db2.gz VTYOHYGWPGZYEL-UHFFFAOYSA-N 0 0 454.303 4.774 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(F)(F)F)c1)C1CCCC1 ZINC001359989474 1064771055 /nfs/dbraw/zinc/77/10/55/1064771055.db2.gz MNUGFVQGXLYNMU-HXUWFJFHSA-N 0 0 479.547 4.624 20 0 JJADRN O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(Cl)cc1I ZINC001435462701 1064771718 /nfs/dbraw/zinc/77/17/18/1064771718.db2.gz URXHRIPOTSVNLI-UHFFFAOYSA-N 0 0 451.695 4.702 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC001435462440 1064771919 /nfs/dbraw/zinc/77/19/19/1064771919.db2.gz DFLLQTGYKYANKF-HNNXBMFYSA-N 0 0 456.568 4.633 20 0 JJADRN CC(C)CN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cc(F)cc(F)c1)C(C)C ZINC001359990592 1064771990 /nfs/dbraw/zinc/77/19/90/1064771990.db2.gz ZSUKBSPCXMCWGG-UHFFFAOYSA-N 0 0 483.611 4.844 20 0 JJADRN CC(C)CN(c1nnc([C@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1)C1CCCC1 ZINC001359990670 1064772056 /nfs/dbraw/zinc/77/20/56/1064772056.db2.gz OQRGVOJSCUXXDD-FQEVSTJZSA-N 0 0 471.612 4.851 20 0 JJADRN CC(C)CN(c1nnc([C@@H]2CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC001359990233 1064772164 /nfs/dbraw/zinc/77/21/64/1064772164.db2.gz KQAINXLIBHLXQI-OAQYLSRUSA-N 0 0 473.662 4.754 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3I)c2O1 ZINC001435462847 1064772298 /nfs/dbraw/zinc/77/22/98/1064772298.db2.gz WDGMRVVVUWDVLA-UHFFFAOYSA-N 0 0 457.695 4.676 20 0 JJADRN COc1cc(OC)cc(OCCNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1 ZINC001435462839 1064772340 /nfs/dbraw/zinc/77/23/40/1064772340.db2.gz FEOQWUIBNXPSMP-UHFFFAOYSA-N 0 0 456.542 4.965 20 0 JJADRN COc1ccc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)c(C(=O)NC2CC2)c1 ZINC001359990729 1064772676 /nfs/dbraw/zinc/77/26/76/1064772676.db2.gz GMFUDHSDORTHGX-UHFFFAOYSA-N 0 0 457.246 4.621 20 0 JJADRN CC(C)CN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1)C1CCCC1 ZINC001359991088 1064772761 /nfs/dbraw/zinc/77/27/61/1064772761.db2.gz VSHWPPQZAXZYOL-TZIWHRDSSA-N 0 0 493.718 4.745 20 0 JJADRN Cc1cccc(N2N=C(C(=O)N(Cc3ccccc3Br)CC(C)C)CCC2=O)c1 ZINC001435463484 1064772807 /nfs/dbraw/zinc/77/28/07/1064772807.db2.gz SJMLRARBQPPOSA-UHFFFAOYSA-N 0 0 456.384 4.925 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC001359991339 1064773175 /nfs/dbraw/zinc/77/31/75/1064773175.db2.gz SMMJVTFZZFAHQU-OAQYLSRUSA-N 0 0 452.979 4.779 20 0 JJADRN COC(=O)Cc1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1 ZINC001435465749 1064773772 /nfs/dbraw/zinc/77/37/72/1064773772.db2.gz SEBJMPROUKFWOC-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN CC(C)CN(c1nnc(Cc2ccsc2)n1Cc1cc(F)ccc1N1CCOCC1)C(C)C ZINC001359991792 1064773918 /nfs/dbraw/zinc/77/39/18/1064773918.db2.gz FSQHDNICBSVCTR-UHFFFAOYSA-N 0 0 471.646 4.825 20 0 JJADRN COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)c(C(=O)NC2CC2)c1 ZINC001359991605 1064773936 /nfs/dbraw/zinc/77/39/36/1064773936.db2.gz YGEOSZNBGSNCFZ-UHFFFAOYSA-N 0 0 459.333 4.641 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1 ZINC001435466546 1064774262 /nfs/dbraw/zinc/77/42/62/1064774262.db2.gz BYTKLDBXDQDZGZ-FQEVSTJZSA-N 0 0 458.986 4.673 20 0 JJADRN CSCc1cc(F)ccc1CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC001435466961 1064774395 /nfs/dbraw/zinc/77/43/95/1064774395.db2.gz ZVMZPSDBHOFIQK-UHFFFAOYSA-N 0 0 450.329 4.796 20 0 JJADRN CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1CCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001359992156 1064774305 /nfs/dbraw/zinc/77/43/05/1064774305.db2.gz PAYFRAFSOMMVSQ-JTHBVZDNSA-N 0 0 452.647 4.983 20 0 JJADRN CC(C)CN(c1nnc(Cc2cn3ccccc3n2)n1CCO[C@H]1CCCC[C@H]1C)C(C)C ZINC001359992154 1064774429 /nfs/dbraw/zinc/77/44/29/1064774429.db2.gz PAYFRAFSOMMVSQ-GGAORHGYSA-N 0 0 452.647 4.983 20 0 JJADRN O=C(NCCc1nc2cc(Cl)ccc2s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001435468097 1064775550 /nfs/dbraw/zinc/77/55/50/1064775550.db2.gz XDAVTWAVQMUCJO-UHFFFAOYSA-N 0 0 457.983 4.657 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N[C@H](c2ccccc2F)C2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001435469515 1064775921 /nfs/dbraw/zinc/77/59/21/1064775921.db2.gz FVGQUUGVSNGUNQ-QDSKXPNFSA-N 0 0 454.542 4.599 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1)C1CCCC1 ZINC001359993078 1064775912 /nfs/dbraw/zinc/77/59/12/1064775912.db2.gz MQPNCKWKROHVJD-ZVDOUQERSA-N 0 0 461.651 4.633 20 0 JJADRN CC(C)CN(Cc1cc(Cl)ccc1Br)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@H]1C ZINC001359993084 1064775951 /nfs/dbraw/zinc/77/59/51/1064775951.db2.gz MWDDGVLIZFLKIB-CLCXKQKWSA-N 0 0 494.865 4.964 20 0 JJADRN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CSCCS1)C1CCCC1 ZINC001359993055 1064776221 /nfs/dbraw/zinc/77/62/21/1064776221.db2.gz LMPKXUDRDNFHPX-SFHVURJKSA-N 0 0 479.741 4.523 20 0 JJADRN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc(Br)nc3)[C@H]2c2cccs2)cc1 ZINC001435469763 1064776403 /nfs/dbraw/zinc/77/64/03/1064776403.db2.gz KFEGIHHLVXBXDB-UZLBHIALSA-N 0 0 456.365 4.947 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NC(=O)CCSc1ccc(Br)cc1)c1ccccc1 ZINC001435470144 1064776481 /nfs/dbraw/zinc/77/64/81/1064776481.db2.gz RQOOTJHLWJHZSJ-IBGZPJMESA-N 0 0 450.398 4.988 20 0 JJADRN C[C@H]1Cn2nc(C(=O)NC3(c4cccc(Cl)c4)CCCC3)cc2CN1C(=O)OC(C)(C)C ZINC001435471649 1064776873 /nfs/dbraw/zinc/77/68/73/1064776873.db2.gz YVXYJKUPDBLTTE-INIZCTEOSA-N 0 0 458.990 4.875 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)C1CCCCC1 ZINC001435472310 1064777419 /nfs/dbraw/zinc/77/74/19/1064777419.db2.gz RYXCYNSTEUZAGI-NRFANRHFSA-N 0 0 452.382 4.577 20 0 JJADRN CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C(C)C)C1CCCC1 ZINC001359993570 1064777613 /nfs/dbraw/zinc/77/76/13/1064777613.db2.gz YALFPDXWOBYBON-BVFVYWQFSA-N 0 0 477.694 4.861 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)cc1 ZINC001435472935 1064778048 /nfs/dbraw/zinc/77/80/48/1064778048.db2.gz VNKYPHRVSVWATA-ZIAGYGMSSA-N 0 0 455.407 4.830 20 0 JJADRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001359993855 1064778126 /nfs/dbraw/zinc/77/81/26/1064778126.db2.gz XXZRPAPZRRDWRR-LLVKDONJSA-N 0 0 459.456 4.671 20 0 JJADRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001359994817 1064778198 /nfs/dbraw/zinc/77/81/98/1064778198.db2.gz GUHASULWTZDFPH-UONOGXRCSA-N 0 0 455.049 4.727 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC001435474291 1064778722 /nfs/dbraw/zinc/77/87/22/1064778722.db2.gz RKGUXIAUICEZSM-RYUDHWBXSA-N 0 0 459.153 4.865 20 0 JJADRN CCOc1cc(Br)ccc1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC001435474300 1064778753 /nfs/dbraw/zinc/77/87/53/1064778753.db2.gz DHUVZMYDUPBFJZ-CQSZACIVSA-N 0 0 451.386 4.855 20 0 JJADRN CC(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001359994859 1064778795 /nfs/dbraw/zinc/77/87/95/1064778795.db2.gz JACJZSKTAIELCS-RTBURBONSA-N 0 0 459.610 4.592 20 0 JJADRN CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359995085 1064779033 /nfs/dbraw/zinc/77/90/33/1064779033.db2.gz UYPHUKOLUJWBGS-ROUUACIJSA-N 0 0 461.582 4.564 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC001435475305 1064779230 /nfs/dbraw/zinc/77/92/30/1064779230.db2.gz ZWVVSBBLWQIVOQ-BUXKBTBVSA-N 0 0 455.755 4.556 20 0 JJADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001359995038 1064779253 /nfs/dbraw/zinc/77/92/53/1064779253.db2.gz RIOZRFOYZLWZHC-KRWDZBQOSA-N 0 0 458.404 4.607 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC001435475396 1064779586 /nfs/dbraw/zinc/77/95/86/1064779586.db2.gz APUGMLUOLQOLKU-NSHDSACASA-N 0 0 457.704 4.695 20 0 JJADRN Cc1ccc(CNC(=O)C(F)(F)c2ccc(Br)cc2)c(OC[C@H]2CCOC2)c1 ZINC001435476253 1064779634 /nfs/dbraw/zinc/77/96/34/1064779634.db2.gz HWXAWJYLDCOKKK-HNNXBMFYSA-N 0 0 454.311 4.581 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001359995248 1064780115 /nfs/dbraw/zinc/78/01/15/1064780115.db2.gz DTVNTQXHPDGNOV-CRAIPNDOSA-N 0 0 478.435 4.713 20 0 JJADRN CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001359995213 1064780194 /nfs/dbraw/zinc/78/01/94/1064780194.db2.gz BZFOHGGAOIDJDW-HOTGVXAUSA-N 0 0 464.632 4.727 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2c(C)cc(C)c(Br)c2C)c1 ZINC001435479031 1064781246 /nfs/dbraw/zinc/78/12/46/1064781246.db2.gz RGUMBZDTQAEVCP-AWEZNQCLSA-N 0 0 453.402 4.703 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001359996272 1064781578 /nfs/dbraw/zinc/78/15/78/1064781578.db2.gz PQBBPJFNFNBPHB-HNAYVOBHSA-N 0 0 452.498 4.630 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001359995987 1064781817 /nfs/dbraw/zinc/78/18/17/1064781817.db2.gz JGSDEWDYMHJGNG-MRXNPFEDSA-N 0 0 457.543 4.506 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001435479697 1064781721 /nfs/dbraw/zinc/78/17/21/1064781721.db2.gz MVMMLQPJYXZWDS-QFIPXVFZSA-N 0 0 458.942 4.538 20 0 JJADRN O=C(OCc1ccccc1Br)c1cc(I)c(F)cc1F ZINC001435492063 1064782124 /nfs/dbraw/zinc/78/21/24/1064782124.db2.gz VIQAZVRLYQKHDT-UHFFFAOYSA-N 0 0 453.020 4.689 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC001359997020 1064782394 /nfs/dbraw/zinc/78/23/94/1064782394.db2.gz JSVUEGOLXBHGMB-NSHDSACASA-N 0 0 452.761 4.951 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(Cc2ccccc2)ns1)c1ccc(F)cc1 ZINC001359996922 1064782229 /nfs/dbraw/zinc/78/22/29/1064782229.db2.gz GFIGPJXUWUKEEG-GOSISDBHSA-N 0 0 456.543 4.515 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001359997465 1064782733 /nfs/dbraw/zinc/78/27/33/1064782733.db2.gz BTFPTTUOIUADAH-INIZCTEOSA-N 0 0 451.384 4.756 20 0 JJADRN CO[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccccc1Cl ZINC001435482215 1064782779 /nfs/dbraw/zinc/78/27/79/1064782779.db2.gz LGLKSDMLFWHDNV-KRWDZBQOSA-N 0 0 452.711 4.545 20 0 JJADRN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001435482014 1064782929 /nfs/dbraw/zinc/78/29/29/1064782929.db2.gz HYBAGNHVCPERFZ-UHFFFAOYSA-N 0 0 459.296 4.915 20 0 JJADRN CC(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001359997509 1064782848 /nfs/dbraw/zinc/78/28/48/1064782848.db2.gz GIRQEISPSHSXKL-GOSISDBHSA-N 0 0 450.587 4.500 20 0 JJADRN CC(C)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001359997569 1064782983 /nfs/dbraw/zinc/78/29/83/1064782983.db2.gz JDEPIVIARACGMN-UHFFFAOYSA-N 0 0 456.635 4.816 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NCCOc1ccc(F)c(F)c1 ZINC001359997153 1064782996 /nfs/dbraw/zinc/78/29/96/1064782996.db2.gz ODIFZXVFEHLRFM-UHFFFAOYSA-N 0 0 451.267 4.510 20 0 JJADRN CC[C@@H](NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2)C(=O)OC(C)(C)C ZINC001435482805 1064783211 /nfs/dbraw/zinc/78/32/11/1064783211.db2.gz RYQXGWQHOIQTEK-JOCHJYFZSA-N 0 0 459.590 4.643 20 0 JJADRN COc1ccc2c(c1)CN(C(=O)CCCNC(=O)c1ccc(F)cc1)[C@H](C1CCCCC1)C2 ZINC001435482721 1064783326 /nfs/dbraw/zinc/78/33/26/1064783326.db2.gz DFZTYIPKQSOFLK-VWLOTQADSA-N 0 0 452.570 4.878 20 0 JJADRN C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483119 1064783381 /nfs/dbraw/zinc/78/33/81/1064783381.db2.gz LPTKXNJZOGMHTH-GFCCVEGCSA-N 0 0 454.390 4.665 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001359997753 1064783487 /nfs/dbraw/zinc/78/34/87/1064783487.db2.gz WMHQYEARKZYNAW-INIZCTEOSA-N 0 0 494.453 4.881 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(OCC(F)(F)F)c1 ZINC001435483239 1064783480 /nfs/dbraw/zinc/78/34/80/1064783480.db2.gz HIPWKVFAYRNAOP-UHFFFAOYSA-N 0 0 455.498 4.582 20 0 JJADRN Cc1ccc(CNC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c(OCC(F)(F)F)c1 ZINC001435482514 1064783495 /nfs/dbraw/zinc/78/34/95/1064783495.db2.gz MEVIMCFDGCOCCA-UHFFFAOYSA-N 0 0 451.420 4.683 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC001435483602 1064783729 /nfs/dbraw/zinc/78/37/29/1064783729.db2.gz JDRQDKQAXBAOGB-HSZRJFAPSA-N 0 0 455.551 4.543 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1-n1cccn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483864 1064783779 /nfs/dbraw/zinc/78/37/79/1064783779.db2.gz POUXSEHBKYWQNZ-CYBMUJFWSA-N 0 0 454.353 4.644 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001359997954 1064783731 /nfs/dbraw/zinc/78/37/31/1064783731.db2.gz AOGIBKYVTLZVLW-SFHVURJKSA-N 0 0 459.543 4.859 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(OC)c(OC)cc2OC)cc1 ZINC001435483382 1064783812 /nfs/dbraw/zinc/78/38/12/1064783812.db2.gz PHRAIBRHNBDKAK-UHFFFAOYSA-N 0 0 459.502 4.826 20 0 JJADRN CC(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001359998154 1064783951 /nfs/dbraw/zinc/78/39/51/1064783951.db2.gz RHPMRUDOESIWHO-UHFFFAOYSA-N 0 0 465.989 4.577 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)c1C ZINC001359998323 1064784245 /nfs/dbraw/zinc/78/42/45/1064784245.db2.gz FWDDHDDYSXXVRK-HXUWFJFHSA-N 0 0 452.967 4.568 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC001359998514 1064784332 /nfs/dbraw/zinc/78/43/32/1064784332.db2.gz BCFXBSRDJJPKMS-UHFFFAOYSA-N 0 0 456.896 4.523 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c(OCC(C)C)c1 ZINC001435486135 1064784771 /nfs/dbraw/zinc/78/47/71/1064784771.db2.gz ZKJVLQMJBVIKBK-IBGZPJMESA-N 0 0 450.535 4.511 20 0 JJADRN C[C@@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC001359998709 1064784883 /nfs/dbraw/zinc/78/48/83/1064784883.db2.gz FXGCOYAGIOCQHD-DNVCBOLYSA-N 0 0 459.612 4.989 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC001359998762 1064784937 /nfs/dbraw/zinc/78/49/37/1064784937.db2.gz HTAAPYYGMVCCIL-QHCPKHFHSA-N 0 0 453.970 4.658 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC001359998703 1064784991 /nfs/dbraw/zinc/78/49/91/1064784991.db2.gz FXGCOYAGIOCQHD-BEFAXECRSA-N 0 0 459.612 4.989 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2SC(C)C)cc1OC ZINC001359999250 1064785296 /nfs/dbraw/zinc/78/52/96/1064785296.db2.gz OQVDYUYDTGOVEA-UHFFFAOYSA-N 0 0 458.001 4.660 20 0 JJADRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCc3cnn(CC(F)(F)F)c3)cc12 ZINC001435486872 1064785502 /nfs/dbraw/zinc/78/55/02/1064785502.db2.gz BZOJPVPAVJYYKO-UHFFFAOYSA-N 0 0 453.877 4.738 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CSC[C@@H]3C(=O)Nc3cccc(C)c3C)c12 ZINC001359999339 1064785971 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SDYOPHQBFIOGQJ-UHFFFAOYSA-N 0 0 455.336 4.581 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC001435494553 1064788578 /nfs/dbraw/zinc/78/85/78/1064788578.db2.gz ABBSUBMRBZNAPD-UHFFFAOYSA-N 0 0 455.268 4.769 20 0 JJADRN COc1cc(CCC(=O)N[C@H](C)Cc2nc3ccccc3s2)ccc1OCC(F)(F)F ZINC001435494632 1064788593 /nfs/dbraw/zinc/78/85/93/1064788593.db2.gz CBGWZJVLSFHTHL-CQSZACIVSA-N 0 0 452.498 4.926 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)s1 ZINC001360002381 1064788626 /nfs/dbraw/zinc/78/86/26/1064788626.db2.gz KKDXMUISZPASGG-RDJZCZTQSA-N 0 0 457.621 4.633 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(-c3c(F)cccc3F)c2)cc1 ZINC001360003188 1064789028 /nfs/dbraw/zinc/78/90/28/1064789028.db2.gz RFSSRVMAMMFLEZ-NRFANRHFSA-N 0 0 454.498 4.794 20 0 JJADRN CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)cn1 ZINC001360003174 1064789214 /nfs/dbraw/zinc/78/92/14/1064789214.db2.gz VFJKXFFTJQLOIR-UHFFFAOYSA-N 0 0 459.955 4.503 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccc(C)c(OC)c1 ZINC001545891438 1064789467 /nfs/dbraw/zinc/78/94/67/1064789467.db2.gz AJAPGFJPSIMEBT-SFTDATJTSA-N 0 0 453.631 4.578 20 0 JJADRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001435495764 1064789509 /nfs/dbraw/zinc/78/95/09/1064789509.db2.gz TVXTXPNDRCWOHG-QGZVFWFLSA-N 0 0 450.585 4.631 20 0 JJADRN COc1ccc(CCNC(=O)c2cc(F)c(Br)c(Cl)c2)cc1OC(F)F ZINC001360003982 1064789778 /nfs/dbraw/zinc/78/97/78/1064789778.db2.gz ATUPCRKLVCWIJS-UHFFFAOYSA-N 0 0 452.654 4.824 20 0 JJADRN CC(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001360003377 1064789786 /nfs/dbraw/zinc/78/97/86/1064789786.db2.gz LNUSWHORPVURLN-UHFFFAOYSA-N 0 0 478.950 4.919 20 0 JJADRN CCC(CC)(CNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001360004206 1064790098 /nfs/dbraw/zinc/79/00/98/1064790098.db2.gz HQECEAWOWIZJON-WMZHIEFXSA-N 0 0 453.023 4.929 20 0 JJADRN COCc1c(Cl)cccc1NC(=O)CCCOc1ccc(I)cc1 ZINC001435497404 1064790079 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BOADWNOKKMUMTP-UHFFFAOYSA-N 0 0 459.384 4.587 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)cc1 ZINC001435497981 1064790763 /nfs/dbraw/zinc/79/07/63/1064790763.db2.gz UZJWUDWNAYOODL-UHFFFAOYSA-N 0 0 451.413 4.584 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360004676 1064791147 /nfs/dbraw/zinc/79/11/47/1064791147.db2.gz QBDVATVHEADDMS-OALUTQOASA-N 0 0 475.609 4.782 20 0 JJADRN CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001360004540 1064791375 /nfs/dbraw/zinc/79/13/75/1064791375.db2.gz NWWSYUVPRONMBV-HXUWFJFHSA-N 0 0 450.631 4.613 20 0 JJADRN CC(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360004873 1064791747 /nfs/dbraw/zinc/79/17/47/1064791747.db2.gz UASBAFJEONZDJR-LJQANCHMSA-N 0 0 475.609 4.736 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccco1 ZINC001435501270 1064791848 /nfs/dbraw/zinc/79/18/48/1064791848.db2.gz SKKRZLCKFLTJRI-NRFANRHFSA-N 0 0 452.308 4.756 20 0 JJADRN CC(C)Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001360005831 1064792398 /nfs/dbraw/zinc/79/23/98/1064792398.db2.gz CZUNFANSBPHBKW-NRFANRHFSA-N 0 0 453.631 4.898 20 0 JJADRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCc2cc(Br)cc(Cl)c21 ZINC001360005606 1064792435 /nfs/dbraw/zinc/79/24/35/1064792435.db2.gz UVNWCYWZSYIYNM-ZDUSSCGKSA-N 0 0 451.748 4.697 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N(C)Cc3cc(Cl)cn3C)cc2Br)on1 ZINC001435503593 1064792807 /nfs/dbraw/zinc/79/28/07/1064792807.db2.gz ONGBLCQHHXGMST-UHFFFAOYSA-N 0 0 452.736 4.589 20 0 JJADRN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccn(C2CCOCC2)n1 ZINC001435503789 1064793289 /nfs/dbraw/zinc/79/32/89/1064793289.db2.gz PZDLPGDHWZDWHY-OAQYLSRUSA-N 0 0 458.331 4.656 20 0 JJADRN COc1ccc(NC(=O)CCCc2cc(Cl)sc2Cl)cc1-n1nnnc1C1CC1 ZINC001435505069 1064793707 /nfs/dbraw/zinc/79/37/07/1064793707.db2.gz YNPCETFVDQAIEY-UHFFFAOYSA-N 0 0 452.367 4.878 20 0 JJADRN CCSc1ccc(CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)c(Br)c1 ZINC001435505955 1064794061 /nfs/dbraw/zinc/79/40/61/1064794061.db2.gz UETQFFORVNIXML-UHFFFAOYSA-N 0 0 455.462 4.695 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC001435505789 1064794112 /nfs/dbraw/zinc/79/41/12/1064794112.db2.gz REIOQCZUWGDVQT-UHFFFAOYSA-N 0 0 456.486 4.633 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c(OC[C@H]2CCCO2)c1 ZINC001435506588 1064794199 /nfs/dbraw/zinc/79/41/99/1064794199.db2.gz CLVDWBUJFLFTGU-RUZDIDTESA-N 0 0 458.558 4.759 20 0 JJADRN Cc1ccc(CNC(=O)CCc2cc(F)ccc2Br)c(OC[C@H]2CCCO2)c1 ZINC001435506923 1064794583 /nfs/dbraw/zinc/79/45/83/1064794583.db2.gz AEJDVNROLVPKRH-LJQANCHMSA-N 0 0 450.348 4.703 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N[C@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435506654 1064794734 /nfs/dbraw/zinc/79/47/34/1064794734.db2.gz DYJLLGNPLQYLRM-DCPHZVHLSA-N 0 0 451.325 4.680 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Cn1c2ccccc2nc1C1CCCCC1)C1CC1 ZINC001360007548 1064795078 /nfs/dbraw/zinc/79/50/78/1064795078.db2.gz VNTUXACVUDUWIP-AREMUKBSSA-N 0 0 454.615 4.894 20 0 JJADRN Cc1ccc(CNC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(OC[C@@H]2CCCO2)c1 ZINC001435507622 1064795121 /nfs/dbraw/zinc/79/51/21/1064795121.db2.gz OXOZOSVEWIBUTM-QFIPXVFZSA-N 0 0 454.567 4.598 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1cnc(Br)c(Br)c1 ZINC001435508613 1064795625 /nfs/dbraw/zinc/79/56/25/1064795625.db2.gz BDOICSATCVMYNE-UHFFFAOYSA-N 0 0 454.969 4.612 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001435509552 1064796200 /nfs/dbraw/zinc/79/62/00/1064796200.db2.gz IEPZPNADOGUAKZ-IUCAKERBSA-N 0 0 450.052 4.766 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(I)ccc1Cl ZINC001435510618 1064797023 /nfs/dbraw/zinc/79/70/23/1064797023.db2.gz YAGJUEAYPNHFAQ-WCQYABFASA-N 0 0 464.731 4.577 20 0 JJADRN O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435512215 1064797576 /nfs/dbraw/zinc/79/75/76/1064797576.db2.gz FGOLRZMFZYNIRN-KSSFIOAISA-N 0 0 451.325 4.555 20 0 JJADRN COc1ccc([C@H](CC(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)NC(C)=O)cc1 ZINC001435512094 1064797642 /nfs/dbraw/zinc/79/76/42/1064797642.db2.gz DSTWKADEJMWPJJ-RRPNLBNLSA-N 0 0 458.558 4.597 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC001435512847 1064798361 /nfs/dbraw/zinc/79/83/61/1064798361.db2.gz GEGHLJHEYREVJR-INIZCTEOSA-N 0 0 459.384 4.565 20 0 JJADRN CC(C)(C)OC(=O)Nc1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cn1 ZINC001435517318 1064800193 /nfs/dbraw/zinc/80/01/93/1064800193.db2.gz FFYIGGPZMMQTQI-UHFFFAOYSA-N 0 0 450.461 4.862 20 0 JJADRN Cc1c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nnn1-c1ccc(F)c(F)c1 ZINC001435520590 1064803270 /nfs/dbraw/zinc/80/32/70/1064803270.db2.gz YQPACDLCILIWDP-UHFFFAOYSA-N 0 0 450.411 4.893 20 0 JJADRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC001435520664 1064803323 /nfs/dbraw/zinc/80/33/23/1064803323.db2.gz WAXAKPBRAWHRER-UHFFFAOYSA-N 0 0 452.532 4.500 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2csc(-c3ccc(OCC)cc3)n2)cc(OC)cc1OC ZINC001435520516 1064803357 /nfs/dbraw/zinc/80/33/57/1064803357.db2.gz YCICKSBCEKJSLL-UHFFFAOYSA-N 0 0 456.520 4.655 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)n1nnc(-c2ccccc2)n1 ZINC001435520104 1064803478 /nfs/dbraw/zinc/80/34/78/1064803478.db2.gz UPMIBAJDBHGAIE-NRFANRHFSA-N 0 0 457.500 4.962 20 0 JJADRN COc1ccc(Br)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001360011489 1064805614 /nfs/dbraw/zinc/80/56/14/1064805614.db2.gz ITGGPPHINVJLIA-QKKBWIMNSA-N 0 0 455.393 4.661 20 0 JJADRN COc1ccc(C(=O)Nc2cc(C)ccc2Cl)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001435524207 1064806485 /nfs/dbraw/zinc/80/64/85/1064806485.db2.gz DOBDQCJEAKNUNZ-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c(=O)[nH]1 ZINC001435523790 1064806552 /nfs/dbraw/zinc/80/65/52/1064806552.db2.gz UAACPLCXAWOGCL-UHFFFAOYSA-N 0 0 455.490 4.605 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc(Br)c2nccnc2c1 ZINC001435524786 1064807254 /nfs/dbraw/zinc/80/72/54/1064807254.db2.gz JYBXUIRBDRGTGV-UHFFFAOYSA-N 0 0 450.340 4.631 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1S(=O)(=O)NC(C)(C)C ZINC001435526194 1064808176 /nfs/dbraw/zinc/80/81/76/1064808176.db2.gz LJFNVFGCKFCEMV-UHFFFAOYSA-N 0 0 458.502 4.519 20 0 JJADRN COc1cc(OC)cc(OCCCNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC001435525493 1064808241 /nfs/dbraw/zinc/80/82/41/1064808241.db2.gz IWIMUQGAKNTGAL-UHFFFAOYSA-N 0 0 454.137 4.911 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001435527009 1064808752 /nfs/dbraw/zinc/80/87/52/1064808752.db2.gz PTVURSKPRCFQRW-WOJBJXKFSA-N 0 0 455.942 4.507 20 0 JJADRN C[C@@H](C(=O)Nc1ccn(-c2ccccc2Cl)n1)c1ccc(I)cc1 ZINC001435526519 1064808775 /nfs/dbraw/zinc/80/87/75/1064808775.db2.gz YBEQXFFZKGDOKV-GFCCVEGCSA-N 0 0 451.695 4.873 20 0 JJADRN CCc1c(C(=O)N[C@@H](CC)Cc2ccccc2Br)nnn1Cc1ccc(F)cc1 ZINC001435526685 1064808814 /nfs/dbraw/zinc/80/88/14/1064808814.db2.gz RRMXQCLNDDTNBF-SFHVURJKSA-N 0 0 459.363 4.542 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001435527005 1064808846 /nfs/dbraw/zinc/80/88/46/1064808846.db2.gz PTVURSKPRCFQRW-VQTJNVASSA-N 0 0 455.942 4.507 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccccc1Br)C1CCCC1 ZINC001435527108 1064808889 /nfs/dbraw/zinc/80/88/89/1064808889.db2.gz RIWRKNANEZZCGQ-KRWDZBQOSA-N 0 0 459.359 4.913 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccccc1Br)C1CCCC1 ZINC001435527109 1064808912 /nfs/dbraw/zinc/80/89/12/1064808912.db2.gz RIWRKNANEZZCGQ-QGZVFWFLSA-N 0 0 459.359 4.913 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)cc1 ZINC001435527881 1064809584 /nfs/dbraw/zinc/80/95/84/1064809584.db2.gz MXWYEELMFUCGQD-UHFFFAOYSA-N 0 0 456.608 4.563 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C)ccc2Cl)c1 ZINC001435528691 1064809671 /nfs/dbraw/zinc/80/96/71/1064809671.db2.gz XJRKREAFGYSEDK-UHFFFAOYSA-N 0 0 459.793 4.694 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)c2cnc(-c3ccccc3Br)s2)n1 ZINC001435529523 1064810317 /nfs/dbraw/zinc/81/03/17/1064810317.db2.gz WIZFBVAVGRMDLM-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001435529607 1064810533 /nfs/dbraw/zinc/81/05/33/1064810533.db2.gz JIYAWKHGLAUEBY-UHFFFAOYSA-N 0 0 452.555 4.952 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC001435530500 1064811443 /nfs/dbraw/zinc/81/14/43/1064811443.db2.gz KRLLTRXATKMSJQ-CYBMUJFWSA-N 0 0 456.369 4.757 20 0 JJADRN CCC[C@@H]1CCc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001435530561 1064812067 /nfs/dbraw/zinc/81/20/67/1064812067.db2.gz RWPHFJWNRNPNPS-HSZRJFAPSA-N 0 0 454.636 4.942 20 0 JJADRN CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@H](F)c2ccc(Br)cc2)[C@@H](C)C1=O ZINC001360013964 1064812069 /nfs/dbraw/zinc/81/20/69/1064812069.db2.gz CYHKVQABCGBGRY-LPHOPBHVSA-N 0 0 480.426 4.568 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC001360013451 1064812121 /nfs/dbraw/zinc/81/21/21/1064812121.db2.gz NRXBLWTZAZYGLB-UHFFFAOYSA-N 0 0 452.449 4.791 20 0 JJADRN Cc1ccc(CNC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c(OC(C)(C)C)c1 ZINC001435531021 1064812096 /nfs/dbraw/zinc/81/20/96/1064812096.db2.gz MHDJTTHVTYMGAD-CJLVFECKSA-N 0 0 457.534 4.733 20 0 JJADRN CC(C)C[C@H]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001435531745 1064812889 /nfs/dbraw/zinc/81/28/89/1064812889.db2.gz WSDIYRBVENACBY-CYBMUJFWSA-N 0 0 459.310 4.947 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC001435532002 1064812973 /nfs/dbraw/zinc/81/29/73/1064812973.db2.gz XJDQQEGQFXUAHN-XMMPIXPASA-N 0 0 454.636 4.879 20 0 JJADRN Cc1ccc(CNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c(OC(C)(C)C)c1 ZINC001435531022 1064813116 /nfs/dbraw/zinc/81/31/16/1064813116.db2.gz MHDJTTHVTYMGAD-JWGURIENSA-N 0 0 457.534 4.733 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)NCCCc2cc3c(cc(OC)cc3OC)[nH]2)c1 ZINC001435532220 1064813752 /nfs/dbraw/zinc/81/37/52/1064813752.db2.gz KFVNJJYCPUPSQG-UHFFFAOYSA-N 0 0 459.930 4.770 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2cccc(Br)c2C1)c1ccccc1 ZINC001435533826 1064813801 /nfs/dbraw/zinc/81/38/01/1064813801.db2.gz ASVAEXHGFNPAHI-FQEVSTJZSA-N 0 0 459.384 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2cccc(Br)c2C1)c1ccccc1 ZINC001435533827 1064813891 /nfs/dbraw/zinc/81/38/91/1064813891.db2.gz ASVAEXHGFNPAHI-HXUWFJFHSA-N 0 0 459.384 4.990 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1F ZINC001435534521 1064814443 /nfs/dbraw/zinc/81/44/43/1064814443.db2.gz FELANYJDFQIPTP-CYBMUJFWSA-N 0 0 455.877 4.698 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)C[C@H](C)c3ccccc3C(F)(F)F)CC2)c1 ZINC001435535945 1064815347 /nfs/dbraw/zinc/81/53/47/1064815347.db2.gz STGOGMWMNUBUFC-KRWDZBQOSA-N 0 0 450.501 4.955 20 0 JJADRN Cc1ccc(CNC(=O)CSc2ccc(Br)cc2C)c(O[C@H]2CCOC2)c1 ZINC001435535280 1064815364 /nfs/dbraw/zinc/81/53/64/1064815364.db2.gz IGVWBRJEXBWSIZ-SFHVURJKSA-N 0 0 450.398 4.642 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCC2)[C@H](C)C1=O ZINC001360016177 1064815308 /nfs/dbraw/zinc/81/53/08/1064815308.db2.gz XVLWEVNEEDXKTD-MOPGFXCFSA-N 0 0 486.458 4.757 20 0 JJADRN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CCCS2)[C@H](C)C1=O ZINC001360016304 1064815497 /nfs/dbraw/zinc/81/54/97/1064815497.db2.gz YSXKWYYHEKDMEG-WYEJZRMESA-N 0 0 489.661 4.536 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC=CCC2)[C@H](C)C1=O ZINC001360016180 1064815529 /nfs/dbraw/zinc/81/55/29/1064815529.db2.gz XVLWEVNEEDXKTD-RTBURBONSA-N 0 0 486.458 4.757 20 0 JJADRN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001435538094 1064816100 /nfs/dbraw/zinc/81/61/00/1064816100.db2.gz XHTFJTYKDPDWJM-MRXNPFEDSA-N 0 0 452.498 4.835 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC001360016993 1064816176 /nfs/dbraw/zinc/81/61/76/1064816176.db2.gz KGJBCUCXDOUQMQ-DEOSSOPVSA-N 0 0 450.579 4.641 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(F)(F)F)[C@@H](C)C1=O ZINC001360017052 1064816186 /nfs/dbraw/zinc/81/61/86/1064816186.db2.gz BQJVJIKKOXDHBK-HNNXBMFYSA-N 0 0 469.577 4.531 20 0 JJADRN C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435539587 1064816883 /nfs/dbraw/zinc/81/68/83/1064816883.db2.gz HGVPHVCDERFGSC-HCRIHEDKSA-N 0 0 455.337 4.999 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1=O ZINC001360017137 1064816982 /nfs/dbraw/zinc/81/69/82/1064816982.db2.gz AQNMCLQXNOLWKF-NZQKXSOJSA-N 0 0 488.076 4.744 20 0 JJADRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)CCCCc1nc2ccccc2s1 ZINC001435540051 1064817583 /nfs/dbraw/zinc/81/75/83/1064817583.db2.gz ISWMZZPGERDVPW-NRFANRHFSA-N 0 0 450.482 4.799 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(=Cc4ccccc4F)CC3)cc2)CC1 ZINC001435540088 1064817732 /nfs/dbraw/zinc/81/77/32/1064817732.db2.gz XOVRXXBBLIQPEK-UHFFFAOYSA-N 0 0 456.583 4.566 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CC(F)(F)C2)CC1=O ZINC001360017461 1064817853 /nfs/dbraw/zinc/81/78/53/1064817853.db2.gz FYVVISQKDRRUPQ-UHFFFAOYSA-N 0 0 459.585 4.593 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(C)(F)F)[C@@H](C)C1=O ZINC001360018319 1064819519 /nfs/dbraw/zinc/81/95/19/1064819519.db2.gz NSDCRCXEYYBBLO-IRXDYDNUSA-N 0 0 479.641 4.870 20 0 JJADRN O=C(Cc1cccnc1)Nc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC001435543176 1064819728 /nfs/dbraw/zinc/81/97/28/1064819728.db2.gz QDPRNZGGQNXEJS-RUZDIDTESA-N 0 0 456.933 4.831 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3CCC3CCCCC3)C2)s1 ZINC001435543973 1064820625 /nfs/dbraw/zinc/82/06/25/1064820625.db2.gz BHYQQHQHLACFQS-NHCUHLMSSA-N 0 0 452.686 4.809 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)[C@@H](C)C1=O ZINC001360018741 1064820973 /nfs/dbraw/zinc/82/09/73/1064820973.db2.gz VRSWNLUSBTZHPT-HJPURHCSSA-N 0 0 480.440 4.514 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCC2(F)F)CC1=O ZINC001360018827 1064821158 /nfs/dbraw/zinc/82/11/58/1064821158.db2.gz VBDNOSCODJRDMG-GOSISDBHSA-N 0 0 465.976 4.729 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC001435545794 1064821421 /nfs/dbraw/zinc/82/14/21/1064821421.db2.gz RMHBILUPCGESJM-CQSZACIVSA-N 0 0 450.495 4.989 20 0 JJADRN Cc1ccc2oc(C(=O)Nc3ncc(Br)cc3I)cc2c1 ZINC001435546026 1064821451 /nfs/dbraw/zinc/82/14/51/1064821451.db2.gz HQHOSBCBFUAIGI-UHFFFAOYSA-N 0 0 457.065 4.756 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Sc2ccccc2)[C@H](C)C1=O ZINC001360018983 1064821981 /nfs/dbraw/zinc/82/19/81/1064821981.db2.gz ZKFIXQDDAUCVIV-RBUKOAKNSA-N 0 0 499.084 4.867 20 0 JJADRN COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H](C)c3ccc(SC(C)C)cc3)n2)cc1 ZINC001360019695 1064822915 /nfs/dbraw/zinc/82/29/15/1064822915.db2.gz BWRPLJNNSWOLLH-QGZVFWFLSA-N 0 0 454.596 4.592 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)cc21 ZINC001435548136 1064822942 /nfs/dbraw/zinc/82/29/42/1064822942.db2.gz BFZVOOBTFUZRCI-UHFFFAOYSA-N 0 0 455.624 4.666 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCCOc2ccccc2C(C)(C)C)Cc2ccccc2C1 ZINC001360020091 1064823644 /nfs/dbraw/zinc/82/36/44/1064823644.db2.gz NEBTVRHZVNOBRX-UHFFFAOYSA-N 0 0 452.595 4.541 20 0 JJADRN Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1C(=O)NC(C)C ZINC001360020063 1064823745 /nfs/dbraw/zinc/82/37/45/1064823745.db2.gz MHKCDBCBBUZMBL-UHFFFAOYSA-N 0 0 454.933 4.852 20 0 JJADRN CCCCN1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc21 ZINC001435549110 1064823863 /nfs/dbraw/zinc/82/38/63/1064823863.db2.gz HUKQYBGRNZFEAW-UHFFFAOYSA-N 0 0 455.624 4.522 20 0 JJADRN Cc1cnc(NC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)nc1 ZINC001435550221 1064823956 /nfs/dbraw/zinc/82/39/56/1064823956.db2.gz KTGMWFKUCFAAIL-UHFFFAOYSA-N 0 0 455.362 4.749 20 0 JJADRN Cc1oc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC001360021083 1064824391 /nfs/dbraw/zinc/82/43/91/1064824391.db2.gz WTMZOHUHHFPVSZ-KRWDZBQOSA-N 0 0 454.548 4.656 20 0 JJADRN Cn1c(=O)cc(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c2ccccc21 ZINC001360020882 1064824428 /nfs/dbraw/zinc/82/44/28/1064824428.db2.gz PGAMCCHYCWPSFK-UHFFFAOYSA-N 0 0 453.380 4.976 20 0 JJADRN O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)c1cnc(-c2ccccn2)nc1 ZINC001360021130 1064824467 /nfs/dbraw/zinc/82/44/67/1064824467.db2.gz YDNVBBGTCQNSFE-UHFFFAOYSA-N 0 0 451.368 4.977 20 0 JJADRN O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)c1cn(Cc2cccs2)nn1 ZINC001360020890 1064824536 /nfs/dbraw/zinc/82/45/36/1064824536.db2.gz PIXVITNQTQBJEN-UHFFFAOYSA-N 0 0 459.413 4.826 20 0 JJADRN Cc1cc(OC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)ccc1Br ZINC001435551428 1064824601 /nfs/dbraw/zinc/82/46/01/1064824601.db2.gz MBASGRMJYPKMOX-UHFFFAOYSA-N 0 0 451.367 4.605 20 0 JJADRN Cc1cnc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)nc1 ZINC001435551434 1064824747 /nfs/dbraw/zinc/82/47/47/1064824747.db2.gz PYAKZWXZWPQONP-UHFFFAOYSA-N 0 0 457.481 4.933 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2cscc2C(F)(F)F)[C@H](C)C1=O ZINC001360021533 1064825369 /nfs/dbraw/zinc/82/53/69/1064825369.db2.gz LLBMLZDCVRDIHI-OAHLLOKOSA-N 0 0 495.546 4.906 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1ncc(F)cc1I ZINC001435552224 1064825526 /nfs/dbraw/zinc/82/55/26/1064825526.db2.gz ZCKMDJOPWXXURS-ZETCQYMHSA-N 0 0 455.054 4.538 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)n1)N(CCc1cccc(F)c1)C1CCCC1 ZINC001435552056 1064825599 /nfs/dbraw/zinc/82/55/99/1064825599.db2.gz MQNDBCYTNRHACR-UHFFFAOYSA-N 0 0 457.347 4.796 20 0 JJADRN CCOc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OCC)c1OCC ZINC001435552343 1064826086 /nfs/dbraw/zinc/82/60/86/1064826086.db2.gz WAEWKJNMBSKOAE-OAHLLOKOSA-N 0 0 457.502 4.871 20 0 JJADRN Cc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)c(O[C@H](C)CC(C)C)c1 ZINC001435553151 1064826174 /nfs/dbraw/zinc/82/61/74/1064826174.db2.gz QAUQBCIAOVCLHS-SBQVMTCPSA-N 0 0 474.642 4.698 20 0 JJADRN O=C(N[C@H]1CCOC2(CCCCC2)C1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001435554399 1064826837 /nfs/dbraw/zinc/82/68/37/1064826837.db2.gz BAIXDVCUUPBKDS-FQEVSTJZSA-N 0 0 452.517 4.556 20 0 JJADRN CC(C)CN1CCN(c2nnc(C3CCCC3)n2CC2CCC(C(F)(F)F)CC2)CC1=O ZINC001360023669 1064826923 /nfs/dbraw/zinc/82/69/23/1064826923.db2.gz ARUNYQFLLPVISU-UHFFFAOYSA-N 0 0 455.569 4.609 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1)c1cccc(Br)c1 ZINC001435555195 1064827680 /nfs/dbraw/zinc/82/76/80/1064827680.db2.gz VNZLZLHRYIMYGG-FQEVSTJZSA-N 0 0 457.368 4.923 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1=O ZINC001360026689 1064828282 /nfs/dbraw/zinc/82/82/82/1064828282.db2.gz CMRKWSYWEPPCOY-QGZVFWFLSA-N 0 0 465.564 4.627 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001435555965 1064828409 /nfs/dbraw/zinc/82/84/09/1064828409.db2.gz DTWBXBBKDUNRMR-UHFFFAOYSA-N 0 0 456.521 4.739 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCCc2c[nH]c3ccccc23)[C@H](C)C1=O ZINC001360026621 1064828520 /nfs/dbraw/zinc/82/85/20/1064828520.db2.gz BQVWGJWVVDBHGO-HXUWFJFHSA-N 0 0 464.658 4.674 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC3CCCC3)cc2)CC1=O ZINC001360026878 1064828569 /nfs/dbraw/zinc/82/85/69/1064828569.db2.gz GCWJTABYFQLSAP-UHFFFAOYSA-N 0 0 467.658 4.541 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001435557414 1064829012 /nfs/dbraw/zinc/82/90/12/1064829012.db2.gz PJJOOHUMDUHRHN-NRFANRHFSA-N 0 0 453.336 4.514 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCc2csc(C(C)(C)C)n2)[C@H](C)C1=O ZINC001360028167 1064829149 /nfs/dbraw/zinc/82/91/49/1064829149.db2.gz YHOFKTDVTRZTNA-GOSISDBHSA-N 0 0 474.719 4.557 20 0 JJADRN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2C(F)(F)F)[C@H](C)C1=O ZINC001360027477 1064829290 /nfs/dbraw/zinc/82/92/90/1064829290.db2.gz NNVBQEZIRUIYFM-GOSISDBHSA-N 0 0 479.591 4.821 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)Nc2cc(F)c(Br)cc2F)n1 ZINC001435557718 1064829771 /nfs/dbraw/zinc/82/97/71/1064829771.db2.gz LKQULNZDAIIGDM-UHFFFAOYSA-N 0 0 459.291 4.645 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)cc1 ZINC001435557778 1064829784 /nfs/dbraw/zinc/82/97/84/1064829784.db2.gz MISFZRAFVYVYGP-OAQYLSRUSA-N 0 0 452.624 4.895 20 0 JJADRN COC(=O)COc1ccc(NC(=O)CCSc2ccc(OC)c(OC)c2)c2ccccc12 ZINC001435559362 1064831349 /nfs/dbraw/zinc/83/13/49/1064831349.db2.gz YNFJNZPSQUNMNY-UHFFFAOYSA-N 0 0 455.532 4.530 20 0 JJADRN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCCCC2)[C@@H](C)C1=O ZINC001360030280 1064832723 /nfs/dbraw/zinc/83/27/23/1064832723.db2.gz GZIXJMSHQHDUDN-IBGZPJMESA-N 0 0 458.050 4.796 20 0 JJADRN COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC ZINC001435561668 1064833764 /nfs/dbraw/zinc/83/37/64/1064833764.db2.gz FRAJSBCXOTYOSZ-SCTDSRPQSA-N 0 0 452.334 4.535 20 0 JJADRN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCC2(F)F)[C@@H](C)C1=O ZINC001360031412 1064833804 /nfs/dbraw/zinc/83/38/04/1064833804.db2.gz HDCALIWRQWCYSY-GMAHTHKFSA-N 0 0 487.639 4.972 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001360032378 1064834367 /nfs/dbraw/zinc/83/43/67/1064834367.db2.gz HHSYOJPCOBEZQG-CYBMUJFWSA-N 0 0 459.534 4.518 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC001360032381 1064834575 /nfs/dbraw/zinc/83/45/75/1064834575.db2.gz HHSYOJPCOBEZQG-ZDUSSCGKSA-N 0 0 459.534 4.518 20 0 JJADRN COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(I)o1)c1ccccc1 ZINC001360032370 1064834727 /nfs/dbraw/zinc/83/47/27/1064834727.db2.gz GZGMITIFNDOCCU-ZISLFAKRSA-N 0 0 459.283 4.812 20 0 JJADRN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C(C)C)CC2)CC1=O ZINC001360033483 1064836298 /nfs/dbraw/zinc/83/62/98/1064836298.db2.gz BGOMOICUQXRRCW-UHFFFAOYSA-N 0 0 494.467 4.905 20 0 JJADRN COC(=O)C[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc(OC)cc1OC ZINC001435565676 1064837163 /nfs/dbraw/zinc/83/71/63/1064837163.db2.gz YBDWHMQPEQFWCX-INIZCTEOSA-N 0 0 458.363 4.523 20 0 JJADRN C[C@H](C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC001435567126 1064838094 /nfs/dbraw/zinc/83/80/94/1064838094.db2.gz VWFAQOKMUXSSJH-APPDUMDISA-N 0 0 456.167 4.559 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc2c1oc(=O)n2C ZINC001435569625 1064839590 /nfs/dbraw/zinc/83/95/90/1064839590.db2.gz ODBMNVUCTWBFKY-UHFFFAOYSA-N 0 0 459.886 4.799 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001435568993 1064839734 /nfs/dbraw/zinc/83/97/34/1064839734.db2.gz KHSPSCZWUUFKGV-CQSZACIVSA-N 0 0 452.414 4.645 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O[C@@H](c2nccs2)c2ccccc2)cc1 ZINC001435571457 1064841237 /nfs/dbraw/zinc/84/12/37/1064841237.db2.gz GIZMCPPAKJXMGN-DYESRHJHSA-N 0 0 456.589 4.653 20 0 JJADRN Cc1c2cccc(C)c2oc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC001435571843 1064841266 /nfs/dbraw/zinc/84/12/66/1064841266.db2.gz KXVUFOQRHSLHKW-UHFFFAOYSA-N 0 0 454.592 4.541 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O[C@H](c2nccs2)c2ccccc2)cc1 ZINC001435571459 1064841383 /nfs/dbraw/zinc/84/13/83/1064841383.db2.gz GIZMCPPAKJXMGN-UTKZUKDTSA-N 0 0 456.589 4.653 20 0 JJADRN COc1ccccc1COC1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC001435572870 1064842102 /nfs/dbraw/zinc/84/21/02/1064842102.db2.gz IZPJSVQNGAWYDH-UHFFFAOYSA-N 0 0 455.352 4.827 20 0 JJADRN CC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3ccccc3Br)s2)c2ccccc21 ZINC001435572625 1064842122 /nfs/dbraw/zinc/84/21/22/1064842122.db2.gz AUDVFQFHSDOXKT-QGZVFWFLSA-N 0 0 456.365 4.800 20 0 JJADRN CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360035841 1064842198 /nfs/dbraw/zinc/84/21/98/1064842198.db2.gz WCIQCYJDTKCVPC-UIOOFZCWSA-N 0 0 458.537 4.691 20 0 JJADRN CCN(C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360035753 1064842387 /nfs/dbraw/zinc/84/23/87/1064842387.db2.gz UBYRTEQMOFWUNA-UUOWRZLLSA-N 0 0 454.567 4.674 20 0 JJADRN Cn1nc(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cc1Br ZINC001435575535 1064844220 /nfs/dbraw/zinc/84/42/20/1064844220.db2.gz XOMYQIRKSRZCFJ-UHFFFAOYSA-N 0 0 450.381 4.593 20 0 JJADRN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC001435578481 1064845714 /nfs/dbraw/zinc/84/57/14/1064845714.db2.gz SFIFEAVZLFUVSR-HOYKHHGWSA-N 0 0 454.596 4.901 20 0 JJADRN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC001435577478 1064845862 /nfs/dbraw/zinc/84/58/62/1064845862.db2.gz LFYRPWLQTBENER-QRQCRPRQSA-N 0 0 450.366 4.520 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC001360037341 1064845959 /nfs/dbraw/zinc/84/59/59/1064845959.db2.gz HLLJNQPRUOGQOZ-HSZRJFAPSA-N 0 0 450.608 4.876 20 0 JJADRN CCN(C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001360037380 1064845994 /nfs/dbraw/zinc/84/59/94/1064845994.db2.gz ITAXZSVXSBUREH-SBUREZEXSA-N 0 0 456.995 4.880 20 0 JJADRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cc3nccc(C(F)(F)F)n3n2)cc1 ZINC001360037275 1064846002 /nfs/dbraw/zinc/84/60/02/1064846002.db2.gz GBJVHEQAVPWDCZ-QFIPXVFZSA-N 0 0 453.468 4.957 20 0 JJADRN O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(OC(F)(F)F)cc1Br ZINC001435580270 1064846342 /nfs/dbraw/zinc/84/63/42/1064846342.db2.gz LXWJMZNPATZUEV-UHFFFAOYSA-N 0 0 457.246 4.656 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001435580192 1064846516 /nfs/dbraw/zinc/84/65/16/1064846516.db2.gz JEIUSGFVDGQNSY-UHFFFAOYSA-N 0 0 450.288 4.773 20 0 JJADRN COC(=O)c1cc(F)c(C)c(OC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC001435579642 1064846578 /nfs/dbraw/zinc/84/65/78/1064846578.db2.gz CCRJLOOHXCATTB-UHFFFAOYSA-N 0 0 456.853 4.790 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC001360037519 1064846610 /nfs/dbraw/zinc/84/66/10/1064846610.db2.gz MGSYOYOTRYVDMT-CQSZACIVSA-N 0 0 450.391 4.715 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccc(Cl)c(F)c3)cc2)c1 ZINC001435582605 1064848809 /nfs/dbraw/zinc/84/88/09/1064848809.db2.gz DZQIHFXIKNJSNE-OAHLLOKOSA-N 0 0 456.901 4.996 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001435583617 1064848832 /nfs/dbraw/zinc/84/88/32/1064848832.db2.gz FKZNGPSOYFUQMR-UHFFFAOYSA-N 0 0 454.708 4.882 20 0 JJADRN CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001360037960 1064848833 /nfs/dbraw/zinc/84/88/33/1064848833.db2.gz 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ZINC001360050470 1064875355 /nfs/dbraw/zinc/87/53/55/1064875355.db2.gz UAXFNILVTUSPTC-QFIPXVFZSA-N 0 0 456.631 4.507 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1cnn(-c3ncccc3Cl)c1C(F)(F)F)CCC2 ZINC001435611794 1064875354 /nfs/dbraw/zinc/87/53/54/1064875354.db2.gz IPNARAZHTHHAPJ-KRWDZBQOSA-N 0 0 450.848 4.756 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC001360050605 1064875835 /nfs/dbraw/zinc/87/58/35/1064875835.db2.gz XNPYPXQYEMYFMA-FQEVSTJZSA-N 0 0 468.671 4.824 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N[C@H](C)Cc3cc(C)nn3-c3ccccc3)cc2)c1 ZINC001435612481 1064875872 /nfs/dbraw/zinc/87/58/72/1064875872.db2.gz ZJMUBFGVAYITHQ-LJQANCHMSA-N 0 0 453.542 4.781 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)c1c(Cl)ccc(I)c1F)CCC2 ZINC001435613052 1064875913 /nfs/dbraw/zinc/87/59/13/1064875913.db2.gz RHUCAXNUOIGGQF-HNNXBMFYSA-N 0 0 459.686 4.900 20 0 JJADRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)O[C@H](C)c3ccc4c(c3)CCCC4)CC2)c1 ZINC001435616271 1064878298 /nfs/dbraw/zinc/87/82/98/1064878298.db2.gz IKJHTEJAUFTINC-GOSISDBHSA-N 0 0 451.563 4.739 20 0 JJADRN O=C(CCCCc1ccc(Br)cc1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001435615541 1064878486 /nfs/dbraw/zinc/87/84/86/1064878486.db2.gz RDPHCWSKYQNPOV-UHFFFAOYSA-N 0 0 459.384 4.643 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C1 ZINC001360051553 1064878576 /nfs/dbraw/zinc/87/85/76/1064878576.db2.gz DBPKWDXVIIZRAQ-MRXNPFEDSA-N 0 0 458.404 4.965 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC001360051572 1064878693 /nfs/dbraw/zinc/87/86/93/1064878693.db2.gz KCLVUWJJSAOVNA-DNVCBOLYSA-N 0 0 457.372 4.976 20 0 JJADRN Cc1ncc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)s1 ZINC001435616649 1064879228 /nfs/dbraw/zinc/87/92/28/1064879228.db2.gz GBLVATVWJYZSSH-UHFFFAOYSA-N 0 0 453.365 4.797 20 0 JJADRN CC(C)COc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360051833 1064879256 /nfs/dbraw/zinc/87/92/56/1064879256.db2.gz HFHQXXJZIQYQST-NRFANRHFSA-N 0 0 494.640 4.850 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC001435617537 1064879995 /nfs/dbraw/zinc/87/99/95/1064879995.db2.gz INTPVJAQHJYRDO-RUZDIDTESA-N 0 0 451.954 4.989 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccn3)CC2)c1 ZINC001360052232 1064879997 /nfs/dbraw/zinc/87/99/97/1064879997.db2.gz KRZRRNBDFQOYNZ-UHFFFAOYSA-N 0 0 462.642 4.671 20 0 JJADRN C[C@H](C(=O)NC(C)(C)COc1ncccc1Br)c1cccc(Br)c1 ZINC001435617582 1064880705 /nfs/dbraw/zinc/88/07/05/1064880705.db2.gz AJMPMSPIKNOYHZ-LBPRGKRZSA-N 0 0 456.178 4.684 20 0 JJADRN CC(C)COc1cccc(Cn2c(N3CCn4cc(C(F)(F)F)nc4C3)nnc2C(C)(C)C)c1 ZINC001360052419 1064880901 /nfs/dbraw/zinc/88/09/01/1064880901.db2.gz NDPKOZQGXBFESI-UHFFFAOYSA-N 0 0 476.547 4.894 20 0 JJADRN CCCn1ncc(C(=O)OCC)c1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001435618829 1064881153 /nfs/dbraw/zinc/88/11/53/1064881153.db2.gz PIHDFNZWAGOYPW-UHFFFAOYSA-N 0 0 452.458 4.864 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cnn1-c1cc(C)ccc1C ZINC001435618878 1064881278 /nfs/dbraw/zinc/88/12/78/1064881278.db2.gz FCLUBRJYBXPHAN-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN CCCOC(=O)c1cc(-c2cncnc2)ccc1NC(=O)c1sc(C(C)(C)OC)nc1C ZINC001435618001 1064881444 /nfs/dbraw/zinc/88/14/44/1064881444.db2.gz VAAMRUZKLXJLDQ-UHFFFAOYSA-N 0 0 454.552 4.609 20 0 JJADRN CC(C)COc1cccc(Cn2c(N3CCC[C@@H](c4ccnn4C)C3)nnc2C(C)(C)C)c1 ZINC001360053281 1064881230 /nfs/dbraw/zinc/88/12/30/1064881230.db2.gz XZGFTBKYABRVGF-OAQYLSRUSA-N 0 0 450.631 4.776 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)Cc2cc(Cl)cc3c2OCC3)c1Cl ZINC001435619976 1064881938 /nfs/dbraw/zinc/88/19/38/1064881938.db2.gz IFRLRKDVYSINLX-UHFFFAOYSA-N 0 0 459.123 4.659 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC001435619766 1064882019 /nfs/dbraw/zinc/88/20/19/1064882019.db2.gz MHMKFEIYHSEPNK-UHFFFAOYSA-N 0 0 458.331 4.996 20 0 JJADRN CO[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)C(F)(F)F ZINC001360053382 1064882157 /nfs/dbraw/zinc/88/21/57/1064882157.db2.gz AAVFNANKXGJBEP-SFHVURJKSA-N 0 0 453.258 4.971 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)OCc1cn(-c2ccccc2Cl)nn1 ZINC001435621008 1064882545 /nfs/dbraw/zinc/88/25/45/1064882545.db2.gz SAFWNLGQPJDQRB-UHFFFAOYSA-N 0 0 450.720 4.586 20 0 JJADRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc2c(cc1Br)OCO2 ZINC001435620704 1064882715 /nfs/dbraw/zinc/88/27/15/1064882715.db2.gz IBYLSAAGMKPZEN-UHFFFAOYSA-N 0 0 454.202 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(N(CC)CC)nc1 ZINC001545892260 1064882776 /nfs/dbraw/zinc/88/27/76/1064882776.db2.gz QYAPDFLTWPPOBC-FCHUYYIVSA-N 0 0 481.689 4.503 20 0 JJADRN O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC001360054665 1064883360 /nfs/dbraw/zinc/88/33/60/1064883360.db2.gz KBIWQOUANIUJDS-UNJYKCMZSA-N 0 0 452.986 4.758 20 0 JJADRN CCCOc1ccc(OCC(=O)Nc2cc(Br)cc(C(=O)OC)c2Cl)cc1 ZINC001435621738 1064883482 /nfs/dbraw/zinc/88/34/82/1064883482.db2.gz OCQVPBWBYLIVCM-UHFFFAOYSA-N 0 0 456.720 4.695 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](OC)c1ccccc1Br ZINC001435622019 1064883516 /nfs/dbraw/zinc/88/35/16/1064883516.db2.gz WPJCMYMBCQQERT-KRWDZBQOSA-N 0 0 457.162 4.566 20 0 JJADRN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC001360055047 1064884063 /nfs/dbraw/zinc/88/40/63/1064884063.db2.gz SWTYNGGUSQEJOQ-RUZDIDTESA-N 0 0 456.542 4.927 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)NCC2(c3cccc(OC)c3)CCCC2)CC[C@H]1c1ccc(C)o1 ZINC001360054905 1064884172 /nfs/dbraw/zinc/88/41/72/1064884172.db2.gz QZIPUTKLDOQGJG-VXKWHMMOSA-N 0 0 454.567 4.887 20 0 JJADRN CC(C)Cn1c(SCC(=O)N2CCCOC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001435623745 1064884773 /nfs/dbraw/zinc/88/47/73/1064884773.db2.gz XXNBRFSJGHALEJ-CQSZACIVSA-N 0 0 457.427 4.637 20 0 JJADRN CC(C)Cn1c(SCC(=O)N2CCCOC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC001435623744 1064885002 /nfs/dbraw/zinc/88/50/02/1064885002.db2.gz XXNBRFSJGHALEJ-AWEZNQCLSA-N 0 0 457.427 4.637 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CCC(c3ccnn3C)CC2)nnc1C(C)(C)C ZINC001360055122 1064884936 /nfs/dbraw/zinc/88/49/36/1064884936.db2.gz QJFOJNQMHDQING-UHFFFAOYSA-N 0 0 450.631 4.776 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)C1 ZINC001360055075 1064885031 /nfs/dbraw/zinc/88/50/31/1064885031.db2.gz PSANIEYRKDIXGK-LJQANCHMSA-N 0 0 467.639 4.589 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC001360055728 1064885573 /nfs/dbraw/zinc/88/55/73/1064885573.db2.gz ZNHNZAVQLPJSNF-HSZRJFAPSA-N 0 0 457.592 4.744 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC[C@H](O)C2)C1 ZINC001360056202 1064886111 /nfs/dbraw/zinc/88/61/11/1064886111.db2.gz BGUPZKWGAUQWIO-QQURRQIPSA-N 0 0 477.049 4.874 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625794 1064887196 /nfs/dbraw/zinc/88/71/96/1064887196.db2.gz SJQZCFNDLMUQBV-DCFHFQCYSA-N 0 0 459.638 4.624 20 0 JJADRN CC1CCN(C(=S)SCC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)CC1 ZINC001360056390 1064887229 /nfs/dbraw/zinc/88/72/29/1064887229.db2.gz CLZKJLHHYRHNMK-UHFFFAOYSA-N 0 0 457.650 4.684 20 0 JJADRN Cc1noc(C)c1[C@H](C)CNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001435626083 1064887256 /nfs/dbraw/zinc/88/72/56/1064887256.db2.gz SPGABMCSENBMOD-ZIAGYGMSSA-N 0 0 454.352 4.775 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCCCC2)C1 ZINC001360056489 1064887761 /nfs/dbraw/zinc/88/77/61/1064887761.db2.gz CUYMRYSUYJCMSY-MRXNPFEDSA-N 0 0 483.476 4.716 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC001435626848 1064887771 /nfs/dbraw/zinc/88/77/71/1064887771.db2.gz VMKBSIJDJVPSAE-LBPRGKRZSA-N 0 0 457.162 4.646 20 0 JJADRN C/C=C/c1ccc(OCC(=O)N2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626299 1064888017 /nfs/dbraw/zinc/88/80/17/1064888017.db2.gz TXIJKDRUKOAVGB-MMXNXPDASA-N 0 0 451.611 4.570 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626927 1064888678 /nfs/dbraw/zinc/88/86/78/1064888678.db2.gz VWMNQSIPJLPTNP-KSSFIOAISA-N 0 0 450.446 4.895 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)C1 ZINC001360056734 1064888825 /nfs/dbraw/zinc/88/88/25/1064888825.db2.gz FKKGYQBZFVOKKP-KRWDZBQOSA-N 0 0 468.520 4.556 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)C1 ZINC001360056860 1064888837 /nfs/dbraw/zinc/88/88/37/1064888837.db2.gz FZMHACDHNDMNEJ-QGZVFWFLSA-N 0 0 480.357 4.614 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626944 1064888978 /nfs/dbraw/zinc/88/89/78/1064888978.db2.gz VXOPMPAJZJAQEW-NLFFAJNJSA-N 0 0 450.627 4.869 20 0 JJADRN CC(C)[C@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccncc2)no1 ZINC001360056826 1064889476 /nfs/dbraw/zinc/88/94/76/1064889476.db2.gz JNKDSARTFXMLSG-FQEVSTJZSA-N 0 0 451.433 4.724 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)C1 ZINC001360056994 1064889606 /nfs/dbraw/zinc/88/96/06/1064889606.db2.gz HYBNPMDLBAWFAD-HXUWFJFHSA-N 0 0 476.408 4.977 20 0 JJADRN O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001435628014 1064889720 /nfs/dbraw/zinc/88/97/20/1064889720.db2.gz YAKCWRQRXTUVQA-NRFANRHFSA-N 0 0 454.368 4.597 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CCc2c(F)cc(F)cc2C1)NCC1CCCCC1 ZINC001435629354 1064890475 /nfs/dbraw/zinc/89/04/75/1064890475.db2.gz HGFKURFCZFJOKQ-UHFFFAOYSA-N 0 0 458.574 4.952 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001360057708 1064890929 /nfs/dbraw/zinc/89/09/29/1064890929.db2.gz NASCFPPRTJJBGL-HYBUGGRVSA-N 0 0 490.435 4.806 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001360057706 1064890963 /nfs/dbraw/zinc/89/09/63/1064890963.db2.gz NASCFPPRTJJBGL-GBXCKJPGSA-N 0 0 490.435 4.806 20 0 JJADRN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1 ZINC001435630091 1064891009 /nfs/dbraw/zinc/89/10/09/1064891009.db2.gz XTAKFVPWKIRRGX-XVKPBYJWSA-N 0 0 451.264 4.901 20 0 JJADRN O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc(Cl)cc(F)c1Br ZINC001435630225 1064891024 /nfs/dbraw/zinc/89/10/24/1064891024.db2.gz SLPNVSHATBVRLK-UHFFFAOYSA-N 0 0 456.739 4.867 20 0 JJADRN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1 ZINC001435630087 1064891243 /nfs/dbraw/zinc/89/12/43/1064891243.db2.gz XTAKFVPWKIRRGX-GMSGAONNSA-N 0 0 451.264 4.901 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2nccs2)C1 ZINC001360057744 1064891650 /nfs/dbraw/zinc/89/16/50/1064891650.db2.gz NIHJLEMCNXNODR-NVXWUHKLSA-N 0 0 493.475 4.558 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1F ZINC001360058491 1064893701 /nfs/dbraw/zinc/89/37/01/1064893701.db2.gz ZXANNBNTDRLTKR-FQEVSTJZSA-N 0 0 456.514 4.943 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Oc1cccc(F)c1I ZINC001435633068 1064894330 /nfs/dbraw/zinc/89/43/30/1064894330.db2.gz BXROOPVJOBXMTM-UHFFFAOYSA-N 0 0 451.235 4.987 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001360058513 1064894483 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ZINC001435760070 1064980477 /nfs/dbraw/zinc/98/04/77/1064980477.db2.gz MQANHRQFQJPTOV-UXHICEINSA-N 0 0 454.375 4.767 20 0 JJADRN CS(=O)(=O)c1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)ccn1 ZINC001435764019 1064981728 /nfs/dbraw/zinc/98/17/28/1064981728.db2.gz VJTLDSFQIDJJSM-UHFFFAOYSA-N 0 0 455.586 4.518 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(/C)c2ccccc2OC(F)F)c1 ZINC001435763784 1064981802 /nfs/dbraw/zinc/98/18/02/1064981802.db2.gz IJJUSLVKKXPCJK-IRVMHKCDSA-N 0 0 452.523 4.548 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001435766926 1064982254 /nfs/dbraw/zinc/98/22/54/1064982254.db2.gz VCHFSHFJYQVWIL-ADLFWFRXSA-N 0 0 452.979 4.829 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1nc2cc[nH]cc-2n1)c1cccc(Cl)c1Cl ZINC001435766691 1064982335 /nfs/dbraw/zinc/98/23/35/1064982335.db2.gz OBEKEBIGNVUETM-INIZCTEOSA-N 0 0 450.326 4.811 20 0 JJADRN C[C@H](NC(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1 ZINC001435766321 1064982419 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SBGIGUFQIGNZHY-UHFFFAOYSA-N 0 0 454.408 4.512 20 0 JJADRN O=C(COC(c1ccccc1)c1ccccc1)N1CC(=O)Nc2cc(Br)ccc21 ZINC001435770313 1064984620 /nfs/dbraw/zinc/98/46/20/1064984620.db2.gz QWWGDDFHEFCAMW-UHFFFAOYSA-N 0 0 451.320 4.540 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CC(c3cc(C)ccc3C)=NO2)nn1CCCOc1ccc(F)cc1 ZINC001435770878 1064985421 /nfs/dbraw/zinc/98/54/21/1064985421.db2.gz YYBGGSAZERQHEG-QHCPKHFHSA-N 0 0 450.514 4.548 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 ZINC001435775931 1064987288 /nfs/dbraw/zinc/98/72/88/1064987288.db2.gz GIZVEHSYCMTJPV-KRWDZBQOSA-N 0 0 459.365 4.997 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC001435776328 1064987321 /nfs/dbraw/zinc/98/73/21/1064987321.db2.gz JGBCGUXQVFSDFF-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1)C(C)C ZINC001360105359 1064987439 /nfs/dbraw/zinc/98/74/39/1064987439.db2.gz DFRNIFYKLPTROM-QHCPKHFHSA-N 0 0 453.583 4.723 20 0 JJADRN C[C@@H]1CCC[C@@H](OC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC001435778722 1064987877 /nfs/dbraw/zinc/98/78/77/1064987877.db2.gz PQOHXZRDXJOTEU-JBYIUTFZSA-N 0 0 450.000 4.899 20 0 JJADRN O=C(Cc1ccn(CC(F)(F)F)n1)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC001435779470 1064988319 /nfs/dbraw/zinc/98/83/19/1064988319.db2.gz AIFVULQLTSUJMR-UHFFFAOYSA-N 0 0 450.166 4.875 20 0 JJADRN COc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cnc1Br ZINC001435779848 1064988344 /nfs/dbraw/zinc/98/83/44/1064988344.db2.gz GLJYSSUJHVMDGZ-AWEZNQCLSA-N 0 0 453.336 4.773 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(Br)cc1 ZINC001435780048 1064988395 /nfs/dbraw/zinc/98/83/95/1064988395.db2.gz ZKQVTXHGLDCOGA-JZXOWHBKSA-N 0 0 452.295 4.642 20 0 JJADRN COc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cnc1Br ZINC001435779850 1064988405 /nfs/dbraw/zinc/98/84/05/1064988405.db2.gz GLJYSSUJHVMDGZ-CQSZACIVSA-N 0 0 453.336 4.773 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC001435779881 1064988450 /nfs/dbraw/zinc/98/84/50/1064988450.db2.gz XYKBIPUUSIOTKA-TTYHFUOFSA-N 0 0 454.405 4.934 20 0 JJADRN Cn1c(CCNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)nc2ccc(F)cc21 ZINC001360108261 1064990144 /nfs/dbraw/zinc/99/01/44/1064990144.db2.gz RAAYARVOSGBDEL-UHFFFAOYSA-N 0 0 458.509 4.751 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1cn(-c2ccc(C)cc2)nn1)C1CC1 ZINC001360108366 1064990207 /nfs/dbraw/zinc/99/02/07/1064990207.db2.gz USKVVYKLGGGSHJ-UHFFFAOYSA-N 0 0 455.356 4.542 20 0 JJADRN CC(C)(C)n1cccc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)c1=O ZINC001435784673 1064990922 /nfs/dbraw/zinc/99/09/22/1064990922.db2.gz VYXOVULSDXCYAF-UHFFFAOYSA-N 0 0 450.486 4.712 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccn2ncc(Br)c12 ZINC001435787946 1064991355 /nfs/dbraw/zinc/99/13/55/1064991355.db2.gz RWALKVPOELAPSX-HNNXBMFYSA-N 0 0 457.372 4.593 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnn2cccc(Br)c12 ZINC001435786399 1064991464 /nfs/dbraw/zinc/99/14/64/1064991464.db2.gz FRLKUCGUKLCFPI-OAHLLOKOSA-N 0 0 457.372 4.593 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccn2ncc(Br)c12 ZINC001435787947 1064991530 /nfs/dbraw/zinc/99/15/30/1064991530.db2.gz RWALKVPOELAPSX-OAHLLOKOSA-N 0 0 457.372 4.593 20 0 JJADRN O=C(Cc1ccc(Cl)c(F)c1)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360111220 1064992395 /nfs/dbraw/zinc/99/23/95/1064992395.db2.gz CNEVHFNNMDODCM-UHFFFAOYSA-N 0 0 453.869 4.912 20 0 JJADRN COc1ccc(C(=O)O[C@@H](c2csc3ccccc32)C(F)(F)F)cc1N1CCNC1=O ZINC001435791117 1064992553 /nfs/dbraw/zinc/99/25/53/1064992553.db2.gz ITJKIYSQWMZWML-SFHVURJKSA-N 0 0 450.438 4.900 20 0 JJADRN Cc1cccc2c(CC(=O)Nc3cccc(CS(=O)(=O)c4ccc(F)cc4F)c3)c[nH]c21 ZINC001360111454 1064992996 /nfs/dbraw/zinc/99/29/96/1064992996.db2.gz MBVUJXRXRAMRBJ-UHFFFAOYSA-N 0 0 454.498 4.910 20 0 JJADRN Cc1nncn1-c1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 ZINC001435792964 1064992896 /nfs/dbraw/zinc/99/28/96/1064992896.db2.gz NTBYJHRNAJUECN-UHFFFAOYSA-N 0 0 455.444 4.551 20 0 JJADRN C[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)c1cccc(Cl)c1F ZINC001435793510 1064993462 /nfs/dbraw/zinc/99/34/62/1064993462.db2.gz XSNISNDIJGQYSY-JBEBIEQOSA-N 0 0 454.885 4.704 20 0 JJADRN CCCOc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(OC2CCCC2)c1 ZINC001435793651 1064993486 /nfs/dbraw/zinc/99/34/86/1064993486.db2.gz JPARHVKSZZBFMB-OAQYLSRUSA-N 0 0 450.579 4.575 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435794909 1064994044 /nfs/dbraw/zinc/99/40/44/1064994044.db2.gz JLVWJSCYOGOUIV-YUNKPMOVSA-N 0 0 453.297 4.798 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435794901 1064994201 /nfs/dbraw/zinc/99/42/01/1064994201.db2.gz JLVWJSCYOGOUIV-FKIZINRSSA-N 0 0 453.297 4.798 20 0 JJADRN O=C(Nc1cccc(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)c1)c1ccco1 ZINC001435795871 1064994615 /nfs/dbraw/zinc/99/46/15/1064994615.db2.gz VTWHFVXKCKFMLQ-UHFFFAOYSA-N 0 0 457.273 4.776 20 0 JJADRN O=C(OCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1sc(N2CCCC2)nc1Cl ZINC001435795887 1064994632 /nfs/dbraw/zinc/99/46/32/1064994632.db2.gz VWTWRFQBYVRCAQ-UHFFFAOYSA-N 0 0 458.758 4.641 20 0 JJADRN Cc1c(C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001435795710 1064994817 /nfs/dbraw/zinc/99/48/17/1064994817.db2.gz HLSKZWNSNZNEGJ-GFCCVEGCSA-N 0 0 457.355 4.994 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)O[C@H](C)c3ccc(F)c(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC001435799223 1064996394 /nfs/dbraw/zinc/99/63/94/1064996394.db2.gz RZSMQWOYXFCTIQ-TZMCWYRMSA-N 0 0 455.404 4.519 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCn1cc(Br)cn1 ZINC001360115543 1064997697 /nfs/dbraw/zinc/99/76/97/1064997697.db2.gz AQIFQLHGLTWUMH-HXUWFJFHSA-N 0 0 491.409 4.733 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC001435800543 1064997828 /nfs/dbraw/zinc/99/78/28/1064997828.db2.gz JTOZYCIYCXMVLQ-UHFFFAOYSA-N 0 0 454.723 4.671 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)co1 ZINC001435802289 1064999498 /nfs/dbraw/zinc/99/94/98/1064999498.db2.gz BTNFFZGDBFEGCV-BQYQJAHWSA-N 0 0 451.350 4.904 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccs1 ZINC001360116008 1064999638 /nfs/dbraw/zinc/99/96/38/1064999638.db2.gz RBTDLTHGMIZNJD-FQEVSTJZSA-N 0 0 471.602 4.565 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c1 ZINC001435803171 1064999985 /nfs/dbraw/zinc/99/99/85/1064999985.db2.gz WGEAXSRKTGRHEQ-JOCHJYFZSA-N 0 0 456.652 4.854 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)ccc1-c1ccccc1 ZINC001435803824 1065000594 /nfs/dbraw/zinc/00/05/94/1065000594.db2.gz IBHXHJCPPMCIMY-SFHVURJKSA-N 0 0 451.592 4.673 20 0 JJADRN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001435804926 1065001057 /nfs/dbraw/zinc/00/10/57/1065001057.db2.gz GCUPYGAGZLVFGZ-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360116630 1065001700 /nfs/dbraw/zinc/00/17/00/1065001700.db2.gz KXUOYRNADULDBE-UHFFFAOYSA-N 0 0 493.534 4.951 20 0 JJADRN CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360116794 1065002328 /nfs/dbraw/zinc/00/23/28/1065002328.db2.gz QJMCNOOGRQKXKI-GOSISDBHSA-N 0 0 470.618 4.586 20 0 JJADRN O=C(c1csc(-c2ncccc2F)n1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC001435808064 1065002578 /nfs/dbraw/zinc/00/25/78/1065002578.db2.gz WRJAUKBLFNMZHH-UHFFFAOYSA-N 0 0 452.736 4.959 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001435807765 1065002631 /nfs/dbraw/zinc/00/26/31/1065002631.db2.gz KUZRWZZKWGGEGZ-ORAYPTAESA-N 0 0 451.398 4.735 20 0 JJADRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435809673 1065003406 /nfs/dbraw/zinc/00/34/06/1065003406.db2.gz UDMKAXUZMOHEOH-BFUOFWGJSA-N 0 0 451.398 4.735 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1COCCO1 ZINC001360118193 1065003584 /nfs/dbraw/zinc/00/35/84/1065003584.db2.gz AVTXNWGTPUFABY-QGZVFWFLSA-N 0 0 451.354 4.675 20 0 JJADRN O=C(c1cnn(Cc2ccccc2Cl)c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001435809960 1065003487 /nfs/dbraw/zinc/00/34/87/1065003487.db2.gz TWOQMBDWCOOYBJ-UHFFFAOYSA-N 0 0 453.970 4.675 20 0 JJADRN C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC001435809168 1065003624 /nfs/dbraw/zinc/00/36/24/1065003624.db2.gz KMGXCHJUJKUCJG-IBGZPJMESA-N 0 0 454.567 4.771 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001360118334 1065003915 /nfs/dbraw/zinc/00/39/15/1065003915.db2.gz KTGVMFDIELNCGZ-QHCPKHFHSA-N 0 0 457.615 4.606 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 ZINC001360118531 1065004322 /nfs/dbraw/zinc/00/43/22/1065004322.db2.gz JXSNZQDQIGGODK-UHFFFAOYSA-N 0 0 453.930 4.630 20 0 JJADRN CC[C@@H](OC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1cccc(Br)c1 ZINC001435811373 1065004596 /nfs/dbraw/zinc/00/45/96/1065004596.db2.gz XTAHCTWWMJJKHU-OAHLLOKOSA-N 0 0 455.234 4.752 20 0 JJADRN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC001435812171 1065005089 /nfs/dbraw/zinc/00/50/89/1065005089.db2.gz TWHZYQBLVHIWPW-UYAOXDASSA-N 0 0 458.961 4.649 20 0 JJADRN COCc1ccc([C@H]2CCCN2C(=O)c2cc(C)c(Cl)cc2I)o1 ZINC001435813185 1065005469 /nfs/dbraw/zinc/00/54/69/1065005469.db2.gz KLHRMRLJZJBZSQ-MRXNPFEDSA-N 0 0 459.711 4.970 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC=CO1 ZINC001360119091 1065005751 /nfs/dbraw/zinc/00/57/51/1065005751.db2.gz WNWNFUAZCZGGNA-HXUWFJFHSA-N 0 0 469.973 4.562 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cnn1-c1cccc(C)c1 ZINC001360119055 1065005823 /nfs/dbraw/zinc/00/58/23/1065005823.db2.gz TWTSYGDMULBZCB-RUZDIDTESA-N 0 0 450.627 4.777 20 0 JJADRN C[S@](=O)Cc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001435814624 1065005945 /nfs/dbraw/zinc/00/59/45/1065005945.db2.gz RCSPUOMDPSQKGZ-PMERELPUSA-N 0 0 455.889 4.734 20 0 JJADRN CCC(CC)(CNC(=O)COc1cccc(Br)c1)c1ccc(OC)c(OC)c1 ZINC001435814377 1065006217 /nfs/dbraw/zinc/00/62/17/1065006217.db2.gz STHRCCOAFSYGTO-UHFFFAOYSA-N 0 0 450.373 4.719 20 0 JJADRN O=C(Nc1ncn(C2CCCCC2)n1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001435814325 1065006227 /nfs/dbraw/zinc/00/62/27/1065006227.db2.gz SAWXKAKOPKFAHN-UHFFFAOYSA-N 0 0 452.868 4.953 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC001360119263 1065006486 /nfs/dbraw/zinc/00/64/86/1065006486.db2.gz WOZWKYLNBHZMGW-QFIPXVFZSA-N 0 0 459.537 4.582 20 0 JJADRN O=C([C@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001435815088 1065006506 /nfs/dbraw/zinc/00/65/06/1065006506.db2.gz VDJRZMVDIBGLIO-HSZRJFAPSA-N 0 0 456.876 4.614 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Cl)ccc3Cl)C2=O)ccc1Br ZINC001435815359 1065006533 /nfs/dbraw/zinc/00/65/33/1065006533.db2.gz BZCZKIRRPMLAEQ-KRWDZBQOSA-N 0 0 456.167 4.990 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)C3CC(c4ccc(F)cc4)C3)C2=O)ccc1Br ZINC001435816405 1065007069 /nfs/dbraw/zinc/00/70/69/1065007069.db2.gz SRAISIQYTJCKEZ-MYKUNDNFSA-N 0 0 459.359 4.702 20 0 JJADRN Cn1c2cccc(Cl)c2nc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001435816338 1065007161 /nfs/dbraw/zinc/00/71/61/1065007161.db2.gz CVECPZSVEXFONN-INIZCTEOSA-N 0 0 451.741 4.777 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cnccn2)n1Cc1cc(Br)cs1 ZINC001360119977 1065007419 /nfs/dbraw/zinc/00/74/19/1065007419.db2.gz RKQCFMXYYSUEIA-UHFFFAOYSA-N 0 0 459.373 4.615 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)CC(F)(F)F ZINC001360120073 1065007882 /nfs/dbraw/zinc/00/78/82/1065007882.db2.gz UZMWNQBTIJGJIP-UHFFFAOYSA-N 0 0 487.530 4.633 20 0 JJADRN Cc1nc(-c2ccc(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)cc2)cs1 ZINC001435818220 1065008060 /nfs/dbraw/zinc/00/80/60/1065008060.db2.gz OMYIYVZHKOPKHH-SFHVURJKSA-N 0 0 459.493 4.668 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1F ZINC001360120716 1065008314 /nfs/dbraw/zinc/00/83/14/1065008314.db2.gz DTUNKSPQLSOFSO-UHFFFAOYSA-N 0 0 468.533 4.728 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N(C)C)nc1 ZINC001360120734 1065008356 /nfs/dbraw/zinc/00/83/56/1065008356.db2.gz FCPRXIDLOXOIEL-UHFFFAOYSA-N 0 0 466.536 4.664 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc(Cc2ccccc2F)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360121013 1065008902 /nfs/dbraw/zinc/00/89/02/1065008902.db2.gz IQQQJTLPFWVZHG-UHFFFAOYSA-N 0 0 483.588 4.883 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1CC1CCOCC1 ZINC001360120802 1065008924 /nfs/dbraw/zinc/00/89/24/1065008924.db2.gz FXQIGYXMCGSDKU-UHFFFAOYSA-N 0 0 478.460 4.949 20 0 JJADRN Cc1noc(-c2ccc(CNC(=O)c3coc(-c4ccc(Br)cc4F)n3)cc2)n1 ZINC001435820447 1065009157 /nfs/dbraw/zinc/00/91/57/1065009157.db2.gz KMMCUXLZOGQILB-UHFFFAOYSA-N 0 0 457.259 4.532 20 0 JJADRN CN(C)C(=O)Nc1ccc(C(=O)NCCCc2ccc(Br)cc2F)c(Cl)c1 ZINC001360121242 1065009272 /nfs/dbraw/zinc/00/92/72/1065009272.db2.gz ZAPSXEGTROGPFN-UHFFFAOYSA-N 0 0 456.743 4.698 20 0 JJADRN COc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)ccc1OC(C)C ZINC001435822292 1065009371 /nfs/dbraw/zinc/00/93/71/1065009371.db2.gz SEJTVSXHTJRCBX-UHFFFAOYSA-N 0 0 452.482 4.891 20 0 JJADRN Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@H]3c3cc(F)cc(Br)c3)CC2=O)cc1 ZINC001435821815 1065009405 /nfs/dbraw/zinc/00/94/05/1065009405.db2.gz QSMGYKWAPFNGQH-NQIIRXRSSA-N 0 0 459.359 4.609 20 0 JJADRN CC1CCC(N2C[C@H](C(=O)N3CCC[C@@H]3c3cc(F)cc(Br)c3)CC2=O)CC1 ZINC001435822919 1065009991 /nfs/dbraw/zinc/00/99/91/1065009991.db2.gz WYVGTIKHXKZYRG-WGCFFZIXSA-N 0 0 451.380 4.679 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360121551 1065010265 /nfs/dbraw/zinc/01/02/65/1065010265.db2.gz YZFGGEGGPBSAKC-CWAZBZNHSA-N 0 0 487.645 4.608 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1=O ZINC001360121674 1065010684 /nfs/dbraw/zinc/01/06/84/1065010684.db2.gz DSXMCBSYISPILL-NVXWUHKLSA-N 0 0 452.555 4.773 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC001435825657 1065010727 /nfs/dbraw/zinc/01/07/27/1065010727.db2.gz ASQNNVPLGSSQRP-KRWDZBQOSA-N 0 0 454.368 4.802 20 0 JJADRN C[C@]1(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CCO[C@@H]1C1CC1 ZINC001435827485 1065011435 /nfs/dbraw/zinc/01/14/35/1065011435.db2.gz LYUACEIXCHGHLA-NFBKMPQASA-N 0 0 457.368 4.636 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360122613 1065011873 /nfs/dbraw/zinc/01/18/73/1065011873.db2.gz MYWWUYLRBZZRMT-OAHLLOKOSA-N 0 0 451.518 4.721 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360122749 1065012298 /nfs/dbraw/zinc/01/22/98/1065012298.db2.gz QUHMQOYODUXLJU-UHFFFAOYSA-N 0 0 459.501 4.674 20 0 JJADRN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1 ZINC001435828537 1065012668 /nfs/dbraw/zinc/01/26/68/1065012668.db2.gz WMDVNGCKBRNUQY-UHFFFAOYSA-N 0 0 456.502 4.622 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001435828923 1065012870 /nfs/dbraw/zinc/01/28/70/1065012870.db2.gz BPIPVJIKVRPAHV-RDGATRHJSA-N 0 0 456.542 4.721 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)F)cc1 ZINC001360123111 1065013368 /nfs/dbraw/zinc/01/33/68/1065013368.db2.gz WVCQBOJZEYVWBV-UHFFFAOYSA-N 0 0 456.522 4.861 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)c1ccc2c(c1)CCCC2 ZINC001435829426 1065013355 /nfs/dbraw/zinc/01/33/55/1065013355.db2.gz FPGLBAPVKPKPJK-ZCNNSNEGSA-N 0 0 454.636 4.723 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)[nH]c(=O)c2c1C ZINC001435829846 1065013370 /nfs/dbraw/zinc/01/33/70/1065013370.db2.gz BTVFSVWZUXERBB-GDBMZVCRSA-N 0 0 459.641 4.607 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1Br ZINC001435830608 1065013849 /nfs/dbraw/zinc/01/38/49/1065013849.db2.gz NCUDRZOOTAASJQ-LIRRHRJNSA-N 0 0 450.760 4.884 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1 ZINC001360123261 1065013963 /nfs/dbraw/zinc/01/39/63/1065013963.db2.gz YGXPJAKFTIAJHU-SFHVURJKSA-N 0 0 479.071 4.553 20 0 JJADRN CCn1c(SCC(=O)NCCC[C@H]2CCCCO2)nnc1-c1ccc(Cl)cc1Cl ZINC001435830528 1065013926 /nfs/dbraw/zinc/01/39/26/1065013926.db2.gz FMQAKWLOWVDGBR-OAHLLOKOSA-N 0 0 457.427 4.829 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N[C@@H]3CCN(c4ccccc4OC(F)F)C3)c(C)c2c1 ZINC001360123697 1065014755 /nfs/dbraw/zinc/01/47/55/1065014755.db2.gz MUGHVMYDMJQNSN-GOSISDBHSA-N 0 0 456.489 4.873 20 0 JJADRN Cn1c(NC(=O)Cc2csc(-c3sccc3Br)n2)nc2ccc(F)cc21 ZINC001435834641 1065015312 /nfs/dbraw/zinc/01/53/12/1065015312.db2.gz FEHYMDAKVISJJV-UHFFFAOYSA-N 0 0 451.346 4.841 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1CCCC(=O)N(C)C ZINC001360124033 1065015804 /nfs/dbraw/zinc/01/58/04/1065015804.db2.gz TWKZVSASSCBMJL-UHFFFAOYSA-N 0 0 464.639 4.626 20 0 JJADRN O=C(C[C@H]1OCc2ccccc21)Oc1ccc(I)c(Br)c1 ZINC001435835438 1065015945 /nfs/dbraw/zinc/01/59/45/1065015945.db2.gz GDWVEYPBZMOOIP-OAHLLOKOSA-N 0 0 459.077 4.621 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 ZINC001360124257 1065016718 /nfs/dbraw/zinc/01/67/18/1065016718.db2.gz ZEJMMPNZGLVPKS-UHFFFAOYSA-N 0 0 497.024 4.529 20 0 JJADRN Cc1noc(C(F)F)c1C(=O)Oc1ccc(I)c(Br)c1 ZINC001435837541 1065016826 /nfs/dbraw/zinc/01/68/26/1065016826.db2.gz ULDXFEJBNRGPEP-UHFFFAOYSA-N 0 0 457.996 4.507 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001545893674 1065017409 /nfs/dbraw/zinc/01/74/09/1065017409.db2.gz FNGFIWSWAMRECP-MJGOQNOKSA-N 0 0 485.595 4.857 20 0 JJADRN C[C@]1(c2ccccc2)C[C@H]1C(=O)Oc1ccc(I)c(Br)c1 ZINC001435839708 1065017685 /nfs/dbraw/zinc/01/76/85/1065017685.db2.gz QULUSMLDTWVILP-SUMWQHHRSA-N 0 0 457.105 4.937 20 0 JJADRN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001435840231 1065017715 /nfs/dbraw/zinc/01/77/15/1065017715.db2.gz FQTFQGJLLNUIQW-FPOVZHCZSA-N 0 0 458.331 4.766 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)OCc2ccc(SC(C)C)cc2)c1 ZINC001435839924 1065017781 /nfs/dbraw/zinc/01/77/81/1065017781.db2.gz RPHUOHXATJJVPH-UHFFFAOYSA-N 0 0 451.610 4.583 20 0 JJADRN COC(=O)c1sc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)nc1C1CCCC1 ZINC001435841036 1065018213 /nfs/dbraw/zinc/01/82/13/1065018213.db2.gz JYEYPJRVCTVIOD-UHFFFAOYSA-N 0 0 456.543 4.710 20 0 JJADRN CN(C(=O)c1ccc(I)cc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001435843267 1065019924 /nfs/dbraw/zinc/01/99/24/1065019924.db2.gz VDFLYCRZNQROLF-CRAIPNDOSA-N 0 0 457.258 4.562 20 0 JJADRN O=C(Cc1cccc(OCCCOc2ccccc2)c1)NCc1cc(Cl)cc2c1OCC2 ZINC001435843452 1065020009 /nfs/dbraw/zinc/02/00/09/1065020009.db2.gz KWCWPBVSQRAZJR-UHFFFAOYSA-N 0 0 451.950 4.982 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCOc2ncc(Br)cc21 ZINC001435845275 1065020417 /nfs/dbraw/zinc/02/04/17/1065020417.db2.gz HTMQCCISBTVZFW-UHFFFAOYSA-N 0 0 452.519 4.609 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(OCC4CC4)cc3)c2)cc1 ZINC001360126590 1065020681 /nfs/dbraw/zinc/02/06/81/1065020681.db2.gz CLYXSLWRVZHYRX-UHFFFAOYSA-N 0 0 450.560 4.861 20 0 JJADRN Cc1cnc([C@H](C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)s1 ZINC001435845744 1065020714 /nfs/dbraw/zinc/02/07/14/1065020714.db2.gz MARBJLOIJZVBKJ-MLGOLLRUSA-N 0 0 457.518 4.956 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H](C)C2CCCCCC2)cc1 ZINC001435846881 1065020861 /nfs/dbraw/zinc/02/08/61/1065020861.db2.gz RMLKRHMZRWQJHM-NLFFAJNJSA-N 0 0 454.636 4.586 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccc(-c4ccccc4)[nH]3)nc12 ZINC001435848347 1065021421 /nfs/dbraw/zinc/02/14/21/1065021421.db2.gz OIRQGWAFQMDUIW-UHFFFAOYSA-N 0 0 451.368 4.692 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1F ZINC001435848577 1065021632 /nfs/dbraw/zinc/02/16/32/1065021632.db2.gz CCTCTCGJQGWJDA-LJQANCHMSA-N 0 0 458.958 4.822 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)O[C@H](C)C2 ZINC001360127514 1065021784 /nfs/dbraw/zinc/02/17/84/1065021784.db2.gz VIOMTBLVYCNNAS-OSAQELSMSA-N 0 0 451.407 4.856 20 0 JJADRN COCCN(C(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1cccc(Br)n1 ZINC001435850832 1065023189 /nfs/dbraw/zinc/02/31/89/1065023189.db2.gz DWGXXMBYTIVKNH-UHFFFAOYSA-N 0 0 456.262 4.648 20 0 JJADRN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 ZINC001435851955 1065023673 /nfs/dbraw/zinc/02/36/73/1065023673.db2.gz SOAAJNFVUSPGOZ-SFHVURJKSA-N 0 0 455.383 4.824 20 0 JJADRN CCc1nc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)nn1-c1ccccc1F ZINC001435852680 1065024670 /nfs/dbraw/zinc/02/46/70/1065024670.db2.gz VAXUVIVRAAROTH-MRXNPFEDSA-N 0 0 458.362 4.604 20 0 JJADRN Cc1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)nc(C)c1Br ZINC001435852853 1065024804 /nfs/dbraw/zinc/02/48/04/1065024804.db2.gz WPPKCABLYOZCQT-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN COCCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)c1cccc(Br)n1 ZINC001435853531 1065025105 /nfs/dbraw/zinc/02/51/05/1065025105.db2.gz VUPVFVJMEUVUHM-UHFFFAOYSA-N 0 0 459.344 4.674 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001545893756 1065026209 /nfs/dbraw/zinc/02/62/09/1065026209.db2.gz HBTSBCDPWQKSRG-LJQANCHMSA-N 0 0 469.630 4.625 20 0 JJADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2Br)C1 ZINC001360130577 1065026183 /nfs/dbraw/zinc/02/61/83/1065026183.db2.gz CJNXGGDLTHHLOC-DGCLKSJQSA-N 0 0 450.158 4.998 20 0 JJADRN COc1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1-c1ccccn1 ZINC001360130426 1065026369 /nfs/dbraw/zinc/02/63/69/1065026369.db2.gz BDZXPROHSOIJGD-QFIPXVFZSA-N 0 0 453.583 4.961 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)OCO2 ZINC001435855335 1065026614 /nfs/dbraw/zinc/02/66/14/1065026614.db2.gz MYLQYYOTOFLCHZ-GOSISDBHSA-N 0 0 452.429 4.947 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)CCc3ccsc3)c2C(=O)c2ccc(C)cc2)C1 ZINC001435855676 1065026626 /nfs/dbraw/zinc/02/66/26/1065026626.db2.gz MVZBCSDKLUYDNM-UHFFFAOYSA-N 0 0 452.601 4.825 20 0 JJADRN COC(=O)CCc1ccc(NC(=O)c2cc(C)c(Cl)cc2I)cc1 ZINC001360131284 1065026656 /nfs/dbraw/zinc/02/66/56/1065026656.db2.gz JWGXIDNDHIBPRB-UHFFFAOYSA-N 0 0 457.695 4.611 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)cnn1-c1ccccc1C ZINC001435857480 1065028163 /nfs/dbraw/zinc/02/81/63/1065028163.db2.gz UAZRBWMEKYJSSY-UHFFFAOYSA-N 0 0 452.986 4.871 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ncc(C4CCCCC4)s3)C2)s1 ZINC001435857195 1065028401 /nfs/dbraw/zinc/02/84/01/1065028401.db2.gz HIYPGWOSEUJDBN-INIZCTEOSA-N 0 0 453.655 4.600 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cc(C)cc(C)c3Br)c12 ZINC001435860124 1065029116 /nfs/dbraw/zinc/02/91/16/1065029116.db2.gz ZBJGBIBMTCAVEI-INIZCTEOSA-N 0 0 457.372 4.859 20 0 JJADRN COC(=O)C1(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)CCCCC1 ZINC001435859872 1065029272 /nfs/dbraw/zinc/02/92/72/1065029272.db2.gz SMQKYOXCIFTXJF-UHFFFAOYSA-N 0 0 454.592 4.579 20 0 JJADRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3csc(C(F)(F)F)c3)c12 ZINC001435860645 1065029619 /nfs/dbraw/zinc/02/96/19/1065029619.db2.gz GSZAXJYRCMEHOE-YVACAVLKSA-N 0 0 450.486 4.959 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1coc2ccccc12 ZINC001545893793 1065030221 /nfs/dbraw/zinc/03/02/21/1065030221.db2.gz IBECKEQDZKYFKU-INIZCTEOSA-N 0 0 463.504 4.770 20 0 JJADRN CC(=O)NC1CCC(N(C)C(=O)c2ccccc2OCc2ccc(Br)cc2)CC1 ZINC001435863511 1065031193 /nfs/dbraw/zinc/03/11/93/1065031193.db2.gz TUELFRZAMKHCSX-UHFFFAOYSA-N 0 0 459.384 4.547 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001435864413 1065031676 /nfs/dbraw/zinc/03/16/76/1065031676.db2.gz IERFHAVIXYSTOQ-FUHWJXTLSA-N 0 0 458.402 4.930 20 0 JJADRN O=C(OCc1cc(Cl)cc2c1OCC2)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435864556 1065031753 /nfs/dbraw/zinc/03/17/53/1065031753.db2.gz MQOHNKFFIHAHNX-IBGZPJMESA-N 0 0 450.760 4.918 20 0 JJADRN COc1ccccc1-c1nc(C(=O)Nc2cccc(I)c2C)cs1 ZINC001435865036 1065032276 /nfs/dbraw/zinc/03/22/76/1065032276.db2.gz BLIGNGYFGVAEAF-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN COC(=O)c1cc(C)ccc1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001360137895 1065033725 /nfs/dbraw/zinc/03/37/25/1065033725.db2.gz BYMCUXNAKHWWAN-UHFFFAOYSA-N 0 0 451.367 4.910 20 0 JJADRN COc1cc(C(=O)Nc2cnc(Cl)c(Br)c2C)cc(OC)c1OC(F)F ZINC001435867045 1065033969 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HNDFBZRKJNKZBU-NSYGIPOTSA-N 0 0 451.542 4.602 20 0 JJADRN Cc1ccnn1-c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001435869244 1065035149 /nfs/dbraw/zinc/03/51/49/1065035149.db2.gz IRAWWTIAGNFFOA-KRWDZBQOSA-N 0 0 457.361 4.978 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCc2cc(Br)cc(F)c21 ZINC001435869215 1065035178 /nfs/dbraw/zinc/03/51/78/1065035178.db2.gz IHAXPNONBABYNL-DOTOQJQBSA-N 0 0 455.368 4.951 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC001360139145 1065035699 /nfs/dbraw/zinc/03/56/99/1065035699.db2.gz BJLNTOQJNSONAV-UHFFFAOYSA-N 0 0 456.546 4.622 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001360139628 1065036019 /nfs/dbraw/zinc/03/60/19/1065036019.db2.gz ODYMRAPDYCZQRG-UHFFFAOYSA-N 0 0 450.322 4.634 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435870838 1065036045 /nfs/dbraw/zinc/03/60/45/1065036045.db2.gz SCHUXXFKABSUAU-LYGMZBLVSA-N 0 0 451.611 4.875 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(Br)c(C)cc1Br ZINC001360139395 1065036392 /nfs/dbraw/zinc/03/63/92/1065036392.db2.gz HRWUJXCHMBZACA-UHFFFAOYSA-N 0 0 456.178 4.594 20 0 JJADRN COCCCN(Cc1ccncc1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001360140072 1065037127 /nfs/dbraw/zinc/03/71/27/1065037127.db2.gz XSWLPOPVASAXCB-UHFFFAOYSA-N 0 0 450.322 4.634 20 0 JJADRN O=C(c1c(Cl)ccc(I)c1F)N1CCc2cc(Cl)ccc2C1 ZINC001435872729 1065037262 /nfs/dbraw/zinc/03/72/62/1065037262.db2.gz OLJGVGFDVJFTJE-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN CC[C@@]1(C(=O)Nc2cccc(I)c2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001435873649 1065037627 /nfs/dbraw/zinc/03/76/27/1065037627.db2.gz YHDUSDWCCBRPDR-LJQANCHMSA-N 0 0 458.340 4.575 20 0 JJADRN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c(Cl)c1F ZINC001435875155 1065038265 /nfs/dbraw/zinc/03/82/65/1065038265.db2.gz DEXQWCXMXQWLNJ-CQSZACIVSA-N 0 0 457.796 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC001435874927 1065038523 /nfs/dbraw/zinc/03/85/23/1065038523.db2.gz HKDKWAPRJQPLMJ-OAQYLSRUSA-N 0 0 456.926 4.778 20 0 JJADRN C/C=C\c1ccc(OCC(=O)N(C)[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001360140741 1065038703 /nfs/dbraw/zinc/03/87/03/1065038703.db2.gz AIUAWDACWHCXRR-QEVIJRNUSA-N 0 0 452.334 4.787 20 0 JJADRN O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001435876321 1065038734 /nfs/dbraw/zinc/03/87/34/1065038734.db2.gz URZMMEFKZQAETC-UHFFFAOYSA-N 0 0 453.508 4.639 20 0 JJADRN O=C(NCCc1ccc2c(c1)CCO2)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001435877591 1065039644 /nfs/dbraw/zinc/03/96/44/1065039644.db2.gz GCOFQQJVCADOSU-QHCPKHFHSA-N 0 0 452.348 4.863 20 0 JJADRN CC(C)(C(=O)NC[C@H]1CSCCN1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC001435876412 1065039696 /nfs/dbraw/zinc/03/96/96/1065039696.db2.gz WMSXLQOHCVQOEY-SFHVURJKSA-N 0 0 457.690 4.883 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Oc1ccc(-c2ncnn2C)cc1 ZINC001435877998 1065040027 /nfs/dbraw/zinc/04/00/27/1065040027.db2.gz MLLIZZIZHBQYJN-UHFFFAOYSA-N 0 0 456.333 4.740 20 0 JJADRN COCCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC001435878775 1065040109 /nfs/dbraw/zinc/04/01/09/1065040109.db2.gz RPJSOPKWBFQKRO-UHFFFAOYSA-N 0 0 455.576 4.594 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)c(C)c2)cc(Br)c1F ZINC001435879065 1065040120 /nfs/dbraw/zinc/04/01/20/1065040120.db2.gz AYXJXABIRSKTAC-UHFFFAOYSA-N 0 0 450.182 4.834 20 0 JJADRN COc1cc(NC(=O)[C@]2(C)CCOc3ccccc32)c(Br)cc1Br ZINC001435879195 1065040580 /nfs/dbraw/zinc/04/05/80/1065040580.db2.gz BIAZLMJMCBPMQK-GOSISDBHSA-N 0 0 455.146 4.899 20 0 JJADRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001435879953 1065041102 /nfs/dbraw/zinc/04/11/02/1065041102.db2.gz SNXXLZKBLUKGHI-CVDCTZTESA-N 0 0 452.570 4.527 20 0 JJADRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cs1 ZINC001435881485 1065041825 /nfs/dbraw/zinc/04/18/25/1065041825.db2.gz BNDHFQWLVKXNGF-UHFFFAOYSA-N 0 0 457.987 4.637 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)c1cc(Br)ccc1OC(F)F ZINC001435881570 1065041839 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NLOMIMISJUXWCO-UHFFFAOYSA-N 0 0 457.901 4.513 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC001360154363 1065056994 /nfs/dbraw/zinc/05/69/94/1065056994.db2.gz XKEXMSWTEXIKGI-UHFFFAOYSA-N 0 0 453.905 4.951 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001545894098 1065057054 /nfs/dbraw/zinc/05/70/54/1065057054.db2.gz OLNCLJMWGAVQDY-QFIPXVFZSA-N 0 0 481.689 4.503 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(F)cc1I ZINC001435908004 1065057146 /nfs/dbraw/zinc/05/71/46/1065057146.db2.gz QZLDJNGRHQJZSQ-PIGZYNQJSA-N 0 0 459.686 4.686 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C1CCCC1 ZINC001435908642 1065057489 /nfs/dbraw/zinc/05/74/89/1065057489.db2.gz TZWPEBUUWGHQRS-OAQYLSRUSA-N 0 0 458.599 4.702 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(OC)c1 ZINC001435908968 1065057619 /nfs/dbraw/zinc/05/76/19/1065057619.db2.gz YRKSSILMODZWEL-UHFFFAOYSA-N 0 0 457.486 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2C1 ZINC001435908947 1065057631 /nfs/dbraw/zinc/05/76/31/1065057631.db2.gz YOPCXYLBEYPCBK-UHFFFAOYSA-N 0 0 451.350 4.939 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccccc1 ZINC001435909737 1065058610 /nfs/dbraw/zinc/05/86/10/1065058610.db2.gz BEBRYXCHPUFKAT-NDEPHWFRSA-N 0 0 453.542 4.790 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)cc1 ZINC001360157041 1065058987 /nfs/dbraw/zinc/05/89/87/1065058987.db2.gz CPVBNVUXJOFWPS-GMAHTHKFSA-N 0 0 454.636 4.714 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC001435911648 1065059074 /nfs/dbraw/zinc/05/90/74/1065059074.db2.gz JDMRXCGCSLTBNY-UHFFFAOYSA-N 0 0 457.518 4.938 20 0 JJADRN O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001435911096 1065059140 /nfs/dbraw/zinc/05/91/40/1065059140.db2.gz OBTNGZAAKIYFRA-KRWDZBQOSA-N 0 0 453.823 4.996 20 0 JJADRN CC1(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC(C)(C)O1 ZINC001435910940 1065059156 /nfs/dbraw/zinc/05/91/56/1065059156.db2.gz MMYXVGBWAXEYIG-UHFFFAOYSA-N 0 0 454.571 4.582 20 0 JJADRN CCCCCC[C@@](C)(NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)OCC ZINC001360158617 1065059321 /nfs/dbraw/zinc/05/93/21/1065059321.db2.gz VIYPUZYENDZLQJ-JOCHJYFZSA-N 0 0 457.537 4.725 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001360157902 1065059461 /nfs/dbraw/zinc/05/94/61/1065059461.db2.gz YWCRBVRJSSWGHM-UHFFFAOYSA-N 0 0 454.246 4.881 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001360160953 1065059814 /nfs/dbraw/zinc/05/98/14/1065059814.db2.gz XMOSJKGSKVNNDX-UXPWSPDFSA-N 0 0 451.007 4.966 20 0 JJADRN Cc1ccc(Cl)c(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 ZINC001360161212 1065059902 /nfs/dbraw/zinc/05/99/02/1065059902.db2.gz FVYDWTLINKIOQI-HXUWFJFHSA-N 0 0 451.394 4.649 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1 ZINC001360161143 1065059941 /nfs/dbraw/zinc/05/99/41/1065059941.db2.gz CYAFIHSMXHSXAX-UHFFFAOYSA-N 0 0 452.414 4.931 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccccc1OC(C)C ZINC001545894122 1065060012 /nfs/dbraw/zinc/06/00/12/1065060012.db2.gz PIOVYCNNUMVKPO-HXUWFJFHSA-N 0 0 455.647 4.904 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)O[C@H]2CCc3ccc(OC(F)(F)F)cc32)cs1 ZINC001435913135 1065060465 /nfs/dbraw/zinc/06/04/65/1065060465.db2.gz GMQZYFXZQLKYKM-HNNXBMFYSA-N 0 0 458.458 4.911 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360161877 1065060713 /nfs/dbraw/zinc/06/07/13/1065060713.db2.gz HYRGEHSQQBFAQD-AYBZRNKSSA-N 0 0 467.536 4.688 20 0 JJADRN Cc1nn(CC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)c2ncccc12 ZINC001435913834 1065060776 /nfs/dbraw/zinc/06/07/76/1065060776.db2.gz SPJQEKDSGLFZGE-UHFFFAOYSA-N 0 0 456.959 4.973 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360162047 1065060947 /nfs/dbraw/zinc/06/09/47/1065060947.db2.gz JIANKIBUGNTKQV-IRXDYDNUSA-N 0 0 451.537 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001360162585 1065061248 /nfs/dbraw/zinc/06/12/48/1065061248.db2.gz OQXMCBITELIKJR-IRXDYDNUSA-N 0 0 479.610 4.529 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360162492 1065061406 /nfs/dbraw/zinc/06/14/06/1065061406.db2.gz NQDIQMQCPCFWFX-IRXDYDNUSA-N 0 0 451.537 4.968 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc3ccccc3o2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360162857 1065061751 /nfs/dbraw/zinc/06/17/51/1065061751.db2.gz UOROHSAEQHMFHT-ROUUACIJSA-N 0 0 498.628 4.615 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCCC1(F)F ZINC001360162876 1065061854 /nfs/dbraw/zinc/06/18/54/1065061854.db2.gz UZKJTRVZYQXPRZ-LSDHHAIUSA-N 0 0 455.500 4.717 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CCc2ccc(O)cc2)n1CCc1nc(C(C)(C)C)cs1 ZINC001360163618 1065062094 /nfs/dbraw/zinc/06/20/94/1065062094.db2.gz LAALFFAYJBRXDR-SFHVURJKSA-N 0 0 498.697 4.576 20 0 JJADRN COC(=O)[C@](C)(CNC(=O)CCCSc1ccc(Br)cc1)c1ccccc1 ZINC001435917079 1065062292 /nfs/dbraw/zinc/06/22/92/1065062292.db2.gz ABGMFNDNDIMCHF-OAQYLSRUSA-N 0 0 450.398 4.569 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC001360165907 1065062583 /nfs/dbraw/zinc/06/25/83/1065062583.db2.gz ZIUBFXLACZGART-HXUWFJFHSA-N 0 0 455.603 4.539 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccccc2C(=O)Oc2ccc(-c3ncn(C)n3)cc2)cc1 ZINC001435918722 1065062863 /nfs/dbraw/zinc/06/28/63/1065062863.db2.gz BCBOJLPPDZWICL-UHFFFAOYSA-N 0 0 458.543 4.741 20 0 JJADRN COC[C@]1(C(=O)NCc2ccccc2Sc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360169225 1065063582 /nfs/dbraw/zinc/06/35/82/1065063582.db2.gz XWJKETAKTITBIQ-VWLOTQADSA-N 0 0 456.608 4.728 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360169382 1065063718 /nfs/dbraw/zinc/06/37/18/1065063718.db2.gz CQSBBEALJFMMEV-WMZOPIPTSA-N 0 0 455.500 4.561 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c(Cl)c1 ZINC001435920624 1065063819 /nfs/dbraw/zinc/06/38/19/1065063819.db2.gz HZRTUYLCLOEQRE-UHFFFAOYSA-N 0 0 459.351 4.996 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@H](c1cccnc1)C(C)C ZINC001360169616 1065064242 /nfs/dbraw/zinc/06/42/42/1065064242.db2.gz MDHXPGVKAFLMSP-SFHVURJKSA-N 0 0 461.035 4.602 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H](c1cccnc1)C(C)C ZINC001360171792 1065065066 /nfs/dbraw/zinc/06/50/66/1065065066.db2.gz BOIKJZFJHUNVJB-HXUWFJFHSA-N 0 0 455.006 4.541 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H](c1cccnc1)C(C)C ZINC001360171790 1065065104 /nfs/dbraw/zinc/06/51/04/1065065104.db2.gz BOIKJZFJHUNVJB-FQEVSTJZSA-N 0 0 455.006 4.541 20 0 JJADRN Cc1ccncc1CC(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922584 1065065440 /nfs/dbraw/zinc/06/54/40/1065065440.db2.gz SBUSFVGETHEPCT-RPWUZVMVSA-N 0 0 451.611 4.697 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001360173129 1065065581 /nfs/dbraw/zinc/06/55/81/1065065581.db2.gz NTAKTIIMQOJJFU-INIZCTEOSA-N 0 0 471.474 4.507 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC001435923242 1065065879 /nfs/dbraw/zinc/06/58/79/1065065879.db2.gz YRMJBZJPLRYOGB-UHFFFAOYSA-N 0 0 450.988 4.863 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001360173420 1065066129 /nfs/dbraw/zinc/06/61/29/1065066129.db2.gz XQUZFSAKPNTTTR-UYAOXDASSA-N 0 0 462.038 4.547 20 0 JJADRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc(C)c1Cl ZINC001360174092 1065066281 /nfs/dbraw/zinc/06/62/81/1065066281.db2.gz AGZXBOCJZREZPH-UHFFFAOYSA-N 0 0 455.942 4.892 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@@H](c3ccccc3)C3CCCCC3)n(C)c2)C1 ZINC001435925128 1065066625 /nfs/dbraw/zinc/06/66/25/1065066625.db2.gz OVBHMALHHHMBBN-DVECYGJZSA-N 0 0 458.624 4.924 20 0 JJADRN O=C(Oc1ccc(Oc2ccc(Br)cn2)cc1)c1ccnc(OCC(F)F)c1 ZINC001435925154 1065066735 /nfs/dbraw/zinc/06/67/35/1065066735.db2.gz LUPUVGHMOVYGJB-UHFFFAOYSA-N 0 0 451.223 4.895 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC001360178029 1065066910 /nfs/dbraw/zinc/06/69/10/1065066910.db2.gz NCTJNWCJXWTQOK-JOCHJYFZSA-N 0 0 456.586 4.592 20 0 JJADRN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(OC(CC)CC)cc2)CC1 ZINC001360178337 1065067402 /nfs/dbraw/zinc/06/74/02/1065067402.db2.gz SBZBHMSVTMKBHG-FQEVSTJZSA-N 0 0 452.595 4.568 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)CCCOc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360179069 1065067683 /nfs/dbraw/zinc/06/76/83/1065067683.db2.gz VBLMHNNRHWVIET-WMZOPIPTSA-N 0 0 485.526 4.754 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(OCC(F)(F)F)cn1 ZINC001435929471 1065068053 /nfs/dbraw/zinc/06/80/53/1065068053.db2.gz BUURCMVANFOYOH-INIZCTEOSA-N 0 0 457.290 4.926 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CC(C)(C)C(C)C ZINC001360181253 1065068381 /nfs/dbraw/zinc/06/83/81/1065068381.db2.gz BZBKPPBLTIARSH-UHFFFAOYSA-N 0 0 486.064 4.692 20 0 JJADRN CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCc3cccnc32)c(Cl)cc1Cl ZINC001435930125 1065068703 /nfs/dbraw/zinc/06/87/03/1065068703.db2.gz CXWNAIUTGIBBJV-SJKOYZFVSA-N 0 0 457.379 4.700 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001435932601 1065069455 /nfs/dbraw/zinc/06/94/55/1065069455.db2.gz JAJUMVCSBMMOGB-UHFFFAOYSA-N 0 0 453.280 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC001435932881 1065069636 /nfs/dbraw/zinc/06/96/36/1065069636.db2.gz LYDCLAQBWYFUIS-MOPGFXCFSA-N 0 0 451.405 4.676 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435933222 1065070281 /nfs/dbraw/zinc/07/02/81/1065070281.db2.gz DIJXMAVHEPNDTG-JOCHJYFZSA-N 0 0 457.448 4.771 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1cc2ccc(Br)cc2s1 ZINC001435934519 1065070829 /nfs/dbraw/zinc/07/08/29/1065070829.db2.gz PQQDZJQKBDGNIX-UHFFFAOYSA-N 0 0 452.131 4.721 20 0 JJADRN O=C(NCc1nc(-c2ccncc2)no1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001360183453 1065070678 /nfs/dbraw/zinc/07/06/78/1065070678.db2.gz GLVZRVSSEPWHLX-HXUWFJFHSA-N 0 0 455.301 4.875 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CC2CC2)CC2CCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360184267 1065071124 /nfs/dbraw/zinc/07/11/24/1065071124.db2.gz FTSXKQMQSAFHAX-OALUTQOASA-N 0 0 455.569 4.802 20 0 JJADRN O=C(Cc1ccc(Br)s1)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001435935518 1065071121 /nfs/dbraw/zinc/07/11/21/1065071121.db2.gz XVENHETYIVUNNN-IBGZPJMESA-N 0 0 458.377 4.697 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1F ZINC001360183752 1065071216 /nfs/dbraw/zinc/07/12/16/1065071216.db2.gz MJICRNSYHKUYDI-MYGHRHJXSA-N 0 0 452.592 4.709 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CC2CC2)C2CCCCC2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001360184839 1065071261 /nfs/dbraw/zinc/07/12/61/1065071261.db2.gz SFJKDXWGDDSEGD-GOSISDBHSA-N 0 0 457.594 4.572 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1F ZINC001360183751 1065071289 /nfs/dbraw/zinc/07/12/89/1065071289.db2.gz MJICRNSYHKUYDI-INZIPBBXSA-N 0 0 452.592 4.709 20 0 JJADRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001435935363 1065071246 /nfs/dbraw/zinc/07/12/46/1065071246.db2.gz UPJFLDOMBBPIJD-UIOOFZCWSA-N 0 0 459.542 4.501 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001435935360 1065071288 /nfs/dbraw/zinc/07/12/88/1065071288.db2.gz UPJFLDOMBBPIJD-CLJLJLNGSA-N 0 0 459.542 4.501 20 0 JJADRN O=C(Nc1nnc(CC2CCCCC2)s1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001360184916 1065071482 /nfs/dbraw/zinc/07/14/82/1065071482.db2.gz GRSYJCWWYHSDPS-CYBMUJFWSA-N 0 0 453.395 4.959 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360185053 1065071706 /nfs/dbraw/zinc/07/17/06/1065071706.db2.gz JEXVXVLCPIPMKQ-CQSZACIVSA-N 0 0 450.329 4.847 20 0 JJADRN CC(=O)Nc1ccc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cc1Cl ZINC001435936129 1065071807 /nfs/dbraw/zinc/07/18/07/1065071807.db2.gz FDHNTXSXOSQJGR-NRFANRHFSA-N 0 0 450.922 4.555 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC001360184846 1065071802 /nfs/dbraw/zinc/07/18/02/1065071802.db2.gz FSODMXKFYBPHSK-UHFFFAOYSA-N 0 0 457.337 4.526 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Oc2cnc3ccc(Br)cc3c2)[C@H]1c1cccc(C)c1 ZINC001435937155 1065072131 /nfs/dbraw/zinc/07/21/31/1065072131.db2.gz CWGYUKJLSPZRJT-SIKLNZKXSA-N 0 0 453.336 4.821 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Oc2cnc3ccc(Br)cc3c2)[C@H]1c1cccc(C)c1 ZINC001435937153 1065072220 /nfs/dbraw/zinc/07/22/20/1065072220.db2.gz CWGYUKJLSPZRJT-DENIHFKCSA-N 0 0 453.336 4.821 20 0 JJADRN Cc1cc(C)c(N2C[C@H](C(=O)Oc3cnc4ccc(Br)cc4c3)CC2=O)c(C)c1 ZINC001435936901 1065072304 /nfs/dbraw/zinc/07/23/04/1065072304.db2.gz AAZPUROLLJXWPR-QGZVFWFLSA-N 0 0 453.336 4.881 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cc(-c3ccccc3)on2)CC1 ZINC001360188172 1065072541 /nfs/dbraw/zinc/07/25/41/1065072541.db2.gz NVLSLKDWMYUBSN-QGZVFWFLSA-N 0 0 454.368 4.552 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)ccn2)C1 ZINC001435938366 1065072580 /nfs/dbraw/zinc/07/25/80/1065072580.db2.gz WCHHCYVEBWBRSA-SQJMNOBHSA-N 0 0 457.574 4.575 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Oc1cnc2ccc(Br)cc2c1 ZINC001435938531 1065072746 /nfs/dbraw/zinc/07/27/46/1065072746.db2.gz UYRFZWWPXJSGFD-UHFFFAOYSA-N 0 0 454.246 4.697 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(OC3CCCC3)nc2)CC1 ZINC001360188939 1065073061 /nfs/dbraw/zinc/07/30/61/1065073061.db2.gz YGJIOMRECQDFQY-QGZVFWFLSA-N 0 0 458.400 4.685 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c23)cc1 ZINC001435938555 1065073223 /nfs/dbraw/zinc/07/32/23/1065073223.db2.gz VMDROFQBLIMCML-HNNXBMFYSA-N 0 0 456.637 4.520 20 0 JJADRN Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)c23)cc1 ZINC001435938557 1065073237 /nfs/dbraw/zinc/07/32/37/1065073237.db2.gz VMDROFQBLIMCML-OAHLLOKOSA-N 0 0 456.637 4.520 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001360190121 1065074135 /nfs/dbraw/zinc/07/41/35/1065074135.db2.gz LONASEGDROHFNG-QFBILLFUSA-N 0 0 459.409 4.607 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCSc2ccc(Br)cc21 ZINC001360190120 1065074220 /nfs/dbraw/zinc/07/42/20/1065074220.db2.gz LONASEGDROHFNG-LPHOPBHVSA-N 0 0 459.409 4.607 20 0 JJADRN O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1c(Cl)cccc1Cl ZINC001435940264 1065074241 /nfs/dbraw/zinc/07/42/41/1065074241.db2.gz JUPWTLPSANYSQG-UHFFFAOYSA-N 0 0 455.297 4.921 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC001360190440 1065074655 /nfs/dbraw/zinc/07/46/55/1065074655.db2.gz XQYSNVWPSJWSAY-AWEZNQCLSA-N 0 0 454.983 4.894 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CN1c2ccccc2OCCC1=O ZINC001360190482 1065074669 /nfs/dbraw/zinc/07/46/69/1065074669.db2.gz ZGWHJOMIGVXDOT-CQSZACIVSA-N 0 0 455.967 4.765 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC(N)=O ZINC001492597009 1065075042 /nfs/dbraw/zinc/07/50/42/1065075042.db2.gz QFDRMNLZGXZILA-MOPGFXCFSA-N 0 0 481.666 4.752 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC(N)=O ZINC001492597011 1065075251 /nfs/dbraw/zinc/07/52/51/1065075251.db2.gz QFDRMNLZGXZILA-RBUKOAKNSA-N 0 0 481.666 4.752 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360193322 1065076183 /nfs/dbraw/zinc/07/61/83/1065076183.db2.gz YDQKXMALRQTGNQ-FYYLOGMGSA-N 0 0 495.668 4.645 20 0 JJADRN CCCCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(C)(C)C ZINC001360194346 1065076289 /nfs/dbraw/zinc/07/62/89/1065076289.db2.gz GCFPYUBXNYYHCV-NRFANRHFSA-N 0 0 450.601 4.690 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1CCC1=CCCCC1 ZINC001360192980 1065076321 /nfs/dbraw/zinc/07/63/21/1065076321.db2.gz LMKCHQKUDBYFSG-UHFFFAOYSA-N 0 0 467.589 4.545 20 0 JJADRN C[C@@H]1Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cccc(-n4ccnn4)c3)sc2[C@H](C)O1 ZINC001435947822 1065076558 /nfs/dbraw/zinc/07/65/58/1065076558.db2.gz CLQYEYRHGUYBNX-KGLIPLIRSA-N 0 0 454.552 4.559 20 0 JJADRN C[C@H]1O[C@@H](C)Cc2c(C(=O)OC(C)(C)C)c(NC(=O)c3cccc(-n4ccnn4)c3)sc21 ZINC001435947826 1065076736 /nfs/dbraw/zinc/07/67/36/1065076736.db2.gz CLQYEYRHGUYBNX-UONOGXRCSA-N 0 0 454.552 4.559 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001360196900 1065076809 /nfs/dbraw/zinc/07/68/09/1065076809.db2.gz FYSDTXXLAMFNEH-OAQYLSRUSA-N 0 0 459.512 4.521 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(Cl)c1C ZINC001545894396 1065077010 /nfs/dbraw/zinc/07/70/10/1065077010.db2.gz VRSQZVXVHOIHOZ-MRXNPFEDSA-N 0 0 453.965 4.688 20 0 JJADRN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001435948061 1065077116 /nfs/dbraw/zinc/07/71/16/1065077116.db2.gz VQSBSROGNBNWPP-UHFFFAOYSA-N 0 0 450.404 4.741 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)c3cncc(N4CCCC4)n3)c2C(=O)OC(C)(C)C)C1 ZINC001435949193 1065077636 /nfs/dbraw/zinc/07/76/36/1065077636.db2.gz GQDNNTRLDNVGMX-HNNXBMFYSA-N 0 0 456.612 4.861 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC(C)(C)c1cccs1 ZINC001360200466 1065078238 /nfs/dbraw/zinc/07/82/38/1065078238.db2.gz UWIZBVFUQZOOOF-GOSISDBHSA-N 0 0 455.603 4.589 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCCC[C@H]2C)c1 ZINC001435951217 1065078414 /nfs/dbraw/zinc/07/84/14/1065078414.db2.gz VRSUZXTYLHKRHF-MRXNPFEDSA-N 0 0 450.988 4.578 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360200783 1065078777 /nfs/dbraw/zinc/07/87/77/1065078777.db2.gz JELAHOFHGPVZEC-XHSDSOJGSA-N 0 0 463.495 4.582 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001360201384 1065078839 /nfs/dbraw/zinc/07/88/39/1065078839.db2.gz SZRKJZWGXHXYTQ-UHFFFAOYSA-N 0 0 483.585 4.990 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1NC(=O)c1ccccc1 ZINC001360202268 1065079194 /nfs/dbraw/zinc/07/91/94/1065079194.db2.gz RWINKIXJCBWBHR-UHFFFAOYSA-N 0 0 451.567 4.719 20 0 JJADRN Cc1ccc(SC[C@@H](C)NC(=O)C2(c3ccc(I)cc3)CC2)cc1 ZINC001435955025 1065079892 /nfs/dbraw/zinc/07/98/92/1065079892.db2.gz CRBQEFWHZFLVFQ-OAHLLOKOSA-N 0 0 451.373 4.928 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC001435955633 1065080005 /nfs/dbraw/zinc/08/00/05/1065080005.db2.gz FRVNZMHRKZXJTC-FLIBITNWSA-N 0 0 451.473 4.727 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCc3ccc(Br)o3)cc2)c(C)c1Br ZINC001435955790 1065080242 /nfs/dbraw/zinc/08/02/42/1065080242.db2.gz IEEGEQOIYPXRGR-UHFFFAOYSA-N 0 0 453.134 4.537 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001360206953 1065080611 /nfs/dbraw/zinc/08/06/11/1065080611.db2.gz MBDXPQPLWSDRCT-IOJLRTSASA-N 0 0 493.574 4.690 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn(-c2ccccc2)c1C ZINC001435956711 1065080707 /nfs/dbraw/zinc/08/07/07/1065080707.db2.gz HZSLZARQCYNUPA-HXUWFJFHSA-N 0 0 456.384 4.711 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC001435957502 1065081142 /nfs/dbraw/zinc/08/11/42/1065081142.db2.gz NEOVRVSMRKWWGE-SFHVURJKSA-N 0 0 457.979 4.820 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(COC(C)(C)C)on1 ZINC001435958127 1065081585 /nfs/dbraw/zinc/08/15/85/1065081585.db2.gz RPFUXPMHERWKMF-KRWDZBQOSA-N 0 0 453.377 4.520 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1c(C)nc2ccc(Cl)cn21 ZINC001435957795 1065081696 /nfs/dbraw/zinc/08/16/96/1065081696.db2.gz XOZIHEWBYRLWFE-AWEZNQCLSA-N 0 0 452.001 4.599 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1c(C)nc2ccc(Cl)cn21 ZINC001435957796 1065081725 /nfs/dbraw/zinc/08/17/25/1065081725.db2.gz XOZIHEWBYRLWFE-CQSZACIVSA-N 0 0 452.001 4.599 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(COC(C)(C)C)on1 ZINC001435958128 1065081771 /nfs/dbraw/zinc/08/17/71/1065081771.db2.gz RPFUXPMHERWKMF-QGZVFWFLSA-N 0 0 453.377 4.520 20 0 JJADRN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 ZINC001360211581 1065081826 /nfs/dbraw/zinc/08/18/26/1065081826.db2.gz CYQGKOASHRLOHQ-HHHXNRCGSA-N 0 0 455.595 4.896 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OCc2ccccc2)c1 ZINC001435959038 1065082571 /nfs/dbraw/zinc/08/25/71/1065082571.db2.gz ZFJHPEVXTDCOFF-QGZVFWFLSA-N 0 0 452.457 4.544 20 0 JJADRN COc1cccc2c1[C@H](C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)CC2 ZINC001435959596 1065082607 /nfs/dbraw/zinc/08/26/07/1065082607.db2.gz HGASUFKBDHEKHW-NHCUHLMSSA-N 0 0 451.364 4.983 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)CC2 ZINC001435959598 1065082716 /nfs/dbraw/zinc/08/27/16/1065082716.db2.gz HGASUFKBDHEKHW-SFTDATJTSA-N 0 0 451.364 4.983 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](OCCCc3ccccc3)C2)n1C1CC(C(C)(C)C)C1 ZINC001360212940 1065082734 /nfs/dbraw/zinc/08/27/34/1065082734.db2.gz KOIPDTPQVNDJLF-VNXZQDSDSA-N 0 0 467.658 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccnn2CC2CCC2)c2ccccc2F)CC1 ZINC001360212513 1065082753 /nfs/dbraw/zinc/08/27/53/1065082753.db2.gz WTWLBQSYGGOLSI-UHFFFAOYSA-N 0 0 456.562 4.869 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CCSCc1ccccc1 ZINC001360212879 1065082781 /nfs/dbraw/zinc/08/27/81/1065082781.db2.gz IZFLFLIYGZKDBZ-UHFFFAOYSA-N 0 0 477.625 4.756 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)Nc1ccc2c(c1)NC(=O)CC2 ZINC001360212523 1065082794 /nfs/dbraw/zinc/08/27/94/1065082794.db2.gz XCZLXYUKDSIDBP-UHFFFAOYSA-N 0 0 458.175 4.729 20 0 JJADRN COc1cc(C)c(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1OC ZINC001435960088 1065083020 /nfs/dbraw/zinc/08/30/20/1065083020.db2.gz JVCDNQHACANIRD-HXUWFJFHSA-N 0 0 455.352 4.884 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1csc([C@@H]2CCCO2)n1 ZINC001435960618 1065083500 /nfs/dbraw/zinc/08/35/00/1065083500.db2.gz MZFZNUWKTCUJIK-HKUYNNGSSA-N 0 0 458.381 4.866 20 0 JJADRN COc1cc(OC)c(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1Br ZINC001435960531 1065083531 /nfs/dbraw/zinc/08/35/31/1065083531.db2.gz FJFUYBGLJOPTOC-UHFFFAOYSA-N 0 0 453.308 4.842 20 0 JJADRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1csc([C@H]2CCCO2)n1 ZINC001435960623 1065083571 /nfs/dbraw/zinc/08/35/71/1065083571.db2.gz MZFZNUWKTCUJIK-PKOBYXMFSA-N 0 0 458.381 4.866 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214682 1065083757 /nfs/dbraw/zinc/08/37/57/1065083757.db2.gz QIDVQQPHDSRKJM-QZTJIDSGSA-N 0 0 453.421 4.781 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cc2)n1 ZINC001360216494 1065084275 /nfs/dbraw/zinc/08/42/75/1065084275.db2.gz IOUNNLZLWXMVHO-UHFFFAOYSA-N 0 0 455.967 4.831 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360216926 1065084587 /nfs/dbraw/zinc/08/45/87/1065084587.db2.gz RLKWQLCALKENFZ-DYESRHJHSA-N 0 0 455.345 4.917 20 0 JJADRN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360216931 1065084661 /nfs/dbraw/zinc/08/46/61/1065084661.db2.gz RLKWQLCALKENFZ-UTKZUKDTSA-N 0 0 455.345 4.917 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1C[C@@H]1CCC[C@H]1C ZINC001360216615 1065084796 /nfs/dbraw/zinc/08/47/96/1065084796.db2.gz RBUDIFCLVQTHOM-QUCCMNQESA-N 0 0 471.621 4.542 20 0 JJADRN O=C(Oc1ccc(Br)c(F)c1)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001360217507 1065085107 /nfs/dbraw/zinc/08/51/07/1065085107.db2.gz MYLMXFIGYKPRJS-UHFFFAOYSA-N 0 0 454.093 4.815 20 0 JJADRN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC001360220542 1065086201 /nfs/dbraw/zinc/08/62/01/1065086201.db2.gz LBLPOUYUAWWECC-JOCHJYFZSA-N 0 0 454.860 4.510 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H]1CCC[C@H]1C ZINC001360221751 1065086475 /nfs/dbraw/zinc/08/64/75/1065086475.db2.gz CYXPIJXYRXVDOY-OAGGEKHMSA-N 0 0 484.592 4.712 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccccc1OC1CCCC1 ZINC001360223386 1065087071 /nfs/dbraw/zinc/08/70/71/1065087071.db2.gz KUMRMSKZGHJSBC-QFIPXVFZSA-N 0 0 483.657 4.570 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1CCCC(C)(C)C ZINC001360222402 1065087215 /nfs/dbraw/zinc/08/72/15/1065087215.db2.gz QOZNHYXBFCNIGD-SFHVURJKSA-N 0 0 451.619 4.503 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CC(C)(C)c1cccs1 ZINC001360223112 1065087271 /nfs/dbraw/zinc/08/72/71/1065087271.db2.gz FNQAMVOKHVIKJW-HXUWFJFHSA-N 0 0 467.639 4.503 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CCN1C(=O)OC(C)(C)C ZINC001435971754 1065087393 /nfs/dbraw/zinc/08/73/93/1065087393.db2.gz ZHJAFJYLWKWSCR-IEBWSBKVSA-N 0 0 459.587 4.958 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001435973106 1065087580 /nfs/dbraw/zinc/08/75/80/1065087580.db2.gz IBXCQXINCPFTDF-HXUWFJFHSA-N 0 0 450.441 4.677 20 0 JJADRN COc1cc(N(C)C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC001360225137 1065088041 /nfs/dbraw/zinc/08/80/41/1065088041.db2.gz NSQRVIIRAWRJAA-QZTJIDSGSA-N 0 0 450.576 4.539 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC001435974899 1065088289 /nfs/dbraw/zinc/08/82/89/1065088289.db2.gz OEXVSDKAWFBWLB-NSHDSACASA-N 0 0 456.109 4.724 20 0 JJADRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC001360225399 1065088571 /nfs/dbraw/zinc/08/85/71/1065088571.db2.gz UDWOGLSCAQSXJV-UHFFFAOYSA-N 0 0 456.589 4.966 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Cl)cc1 ZINC001360225331 1065088600 /nfs/dbraw/zinc/08/86/00/1065088600.db2.gz QMEGISCCPHZUBT-KRDDEPHXSA-N 0 0 451.737 4.756 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC(OCC2CCCCC2)CC1 ZINC001360225650 1065088678 /nfs/dbraw/zinc/08/86/78/1065088678.db2.gz VOKQVGMQOYDPKI-KRWDZBQOSA-N 0 0 453.410 4.934 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1CC(C)(C)c1cccs1 ZINC001360226226 1065088983 /nfs/dbraw/zinc/08/89/83/1065088983.db2.gz JUZVTUAPSNDKBR-IBGZPJMESA-N 0 0 453.612 4.503 20 0 JJADRN CC(C)[C@@H](C(=O)OCc1ccc(OCCC(F)(F)F)cc1)S(=O)(=O)C1CCCCC1 ZINC001435976739 1065089064 /nfs/dbraw/zinc/08/90/64/1065089064.db2.gz PDICHWOMIMFTTF-IBGZPJMESA-N 0 0 450.519 4.833 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360226307 1065089105 /nfs/dbraw/zinc/08/91/05/1065089105.db2.gz LPFRKEFHENQTMM-IHPCNDPISA-N 0 0 479.547 4.832 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360226684 1065089546 /nfs/dbraw/zinc/08/95/46/1065089546.db2.gz PICLGGTZJDYONB-HXUWFJFHSA-N 0 0 494.596 4.746 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](F)c1ccc(Br)cc1 ZINC001360227335 1065089636 /nfs/dbraw/zinc/08/96/36/1065089636.db2.gz LUSUZZMXUYCPFZ-YTQUADARSA-N 0 0 478.410 4.659 20 0 JJADRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001435978003 1065090154 /nfs/dbraw/zinc/09/01/54/1065090154.db2.gz PRMZQUAWWHMICW-LEWJYISDSA-N 0 0 454.368 4.749 20 0 JJADRN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC001435978190 1065090169 /nfs/dbraw/zinc/09/01/69/1065090169.db2.gz HFLFXBIIXMTLBS-UHFFFAOYSA-N 0 0 459.955 4.755 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Br)c(C)cc1C ZINC001435978070 1065090292 /nfs/dbraw/zinc/09/02/92/1065090292.db2.gz FSGXTDLVMWURBG-UHFFFAOYSA-N 0 0 458.274 4.900 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(F)(F)F)o1 ZINC001360228053 1065090657 /nfs/dbraw/zinc/09/06/57/1065090657.db2.gz JNGLMHRJHGYGIW-UHFFFAOYSA-N 0 0 454.445 4.838 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2S1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228016 1065090689 /nfs/dbraw/zinc/09/06/89/1065090689.db2.gz IUBAVOWWLCCMPK-OWAUWMPXSA-N 0 0 450.648 4.716 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC001435979188 1065090572 /nfs/dbraw/zinc/09/05/72/1065090572.db2.gz RIVLCMUKGJWOPU-UHFFFAOYSA-N 0 0 452.816 4.829 20 0 JJADRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC001435979180 1065090685 /nfs/dbraw/zinc/09/06/85/1065090685.db2.gz RHFATUYPXQICPN-UHFFFAOYSA-N 0 0 454.495 4.635 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CCCO[C@H](C)c1ccccc1 ZINC001360228346 1065091032 /nfs/dbraw/zinc/09/10/32/1065091032.db2.gz VIOIZZFKZKNTSJ-DENIHFKCSA-N 0 0 467.639 4.987 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228576 1065091180 /nfs/dbraw/zinc/09/11/80/1065091180.db2.gz RHXPTNSCEVVTKO-TUSQITKMSA-N 0 0 454.655 4.738 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC001435980579 1065091178 /nfs/dbraw/zinc/09/11/78/1065091178.db2.gz PUVMBYGVTFEKMI-VGOFRKELSA-N 0 0 451.405 4.633 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360231262 1065092034 /nfs/dbraw/zinc/09/20/34/1065092034.db2.gz GYOQJRMAWROTNU-IEBWSBKVSA-N 0 0 488.057 4.810 20 0 JJADRN Cc1cc(C2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccco3)CC2)ccc1Br ZINC001435983692 1065091958 /nfs/dbraw/zinc/09/19/58/1065091958.db2.gz PQSLTCFZTXBHLH-HXUWFJFHSA-N 0 0 459.384 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)C1 ZINC001435983801 1065092404 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ZINC001360282925 1065122897 /nfs/dbraw/zinc/12/28/97/1065122897.db2.gz CBZQCKAWVGNLMI-UHFFFAOYSA-N 0 0 453.545 4.641 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001436027752 1065122923 /nfs/dbraw/zinc/12/29/23/1065122923.db2.gz ARSKAQJLUJUUDY-CYBMUJFWSA-N 0 0 459.395 4.811 20 0 JJADRN Cc1ccc2c(c1)S[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1)C2 ZINC001436028041 1065123462 /nfs/dbraw/zinc/12/34/62/1065123462.db2.gz BHJGGOQEVAVJQP-IRLDBZIGSA-N 0 0 456.583 4.972 20 0 JJADRN COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)/C(C)=C/C3CCC(C)CC3)c2)cc1 ZINC001360284506 1065123576 /nfs/dbraw/zinc/12/35/76/1065123576.db2.gz BTVRVIXFWDYZFJ-XDJHFCHBSA-N 0 0 456.608 4.885 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COCCc2ccccc2)[C@H](c2ccccc2Cl)C1 ZINC001436028698 1065124111 /nfs/dbraw/zinc/12/41/11/1065124111.db2.gz IJJBZVHYXGGUQK-QFIPXVFZSA-N 0 0 458.986 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COCCc2ccccc2)[C@@H](c2ccccc2Cl)C1 ZINC001436028696 1065124164 /nfs/dbraw/zinc/12/41/64/1065124164.db2.gz IJJBZVHYXGGUQK-JOCHJYFZSA-N 0 0 458.986 4.720 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COCCc2ccccc2)cc1 ZINC001436029060 1065124655 /nfs/dbraw/zinc/12/46/55/1065124655.db2.gz KZQCPFZJQKTTRD-XMMPIXPASA-N 0 0 452.595 4.629 20 0 JJADRN O=C(NC[C@@H]1OCCc2ccccc21)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360286659 1065124910 /nfs/dbraw/zinc/12/49/10/1065124910.db2.gz NREWUNAEAFGRGY-GOTSBHOMSA-N 0 0 452.348 4.999 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001436029769 1065125433 /nfs/dbraw/zinc/12/54/33/1065125433.db2.gz UOLVDCCWJAZXAA-BDTNDASRSA-N 0 0 472.626 4.737 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1Cl ZINC001436030197 1065125999 /nfs/dbraw/zinc/12/59/99/1065125999.db2.gz UEBFGEVJXNFPRX-SFHVURJKSA-N 0 0 450.942 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)COC/C=C/c2ccccc2)[C@H](c2cccc(F)c2)C1 ZINC001436030097 1065126115 /nfs/dbraw/zinc/12/61/15/1065126115.db2.gz RRHFKUKDJLOLEJ-HDFUYHJRSA-N 0 0 454.542 4.676 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001360287168 1065126174 /nfs/dbraw/zinc/12/61/74/1065126174.db2.gz CJFOCRLVCBWJFL-MRXNPFEDSA-N 0 0 498.411 4.555 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001360287648 1065126220 /nfs/dbraw/zinc/12/62/20/1065126220.db2.gz TVSKAANMYRMJDV-OAHLLOKOSA-N 0 0 480.838 4.678 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCc2sccc2C1 ZINC001360287284 1065126240 /nfs/dbraw/zinc/12/62/40/1065126240.db2.gz HOBIZVXUONEICM-UHFFFAOYSA-N 0 0 451.640 4.782 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1Cc1cccs1 ZINC001360287394 1065126260 /nfs/dbraw/zinc/12/62/60/1065126260.db2.gz KSVQIPDBFVCXIX-CQSZACIVSA-N 0 0 494.484 4.567 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N(CC1CC1)C1CCCCC1 ZINC001360289276 1065126695 /nfs/dbraw/zinc/12/66/95/1065126695.db2.gz WRWJEPOXTXNNAP-UHFFFAOYSA-N 0 0 474.447 4.781 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)ccn1 ZINC001436030993 1065127225 /nfs/dbraw/zinc/12/72/25/1065127225.db2.gz ZWPGNICJEQNKJI-LAUBAEHRSA-N 0 0 457.546 4.832 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cc(Br)cc(N3CCCC3)c2)cc1OC ZINC001360293337 1065127374 /nfs/dbraw/zinc/12/73/74/1065127374.db2.gz FDHXMXNYBFIGIB-CYBMUJFWSA-N 0 0 451.336 4.697 20 0 JJADRN C[C@@H]1CC[C@@H](NC(=O)Cc2cc(Br)cc(I)c2)[C@@H](C)C1 ZINC001360291660 1065127503 /nfs/dbraw/zinc/12/75/03/1065127503.db2.gz PNVDDOFLOHSMNE-JRPNMDOOSA-N 0 0 450.158 4.537 20 0 JJADRN COCCCCN(C(=O)c1ccc(C)c(-c2cnn(C)c2)c1)c1ccc(Br)cn1 ZINC001436031774 1065128004 /nfs/dbraw/zinc/12/80/04/1065128004.db2.gz DYKLMTAZRLIZSK-UHFFFAOYSA-N 0 0 457.372 4.626 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(-c2cnn(C)c2)ccc1F ZINC001360293597 1065128279 /nfs/dbraw/zinc/12/82/79/1065128279.db2.gz LZTQNJASGAAAQC-UHFFFAOYSA-N 0 0 459.521 4.956 20 0 JJADRN Cc1ccc(C)n1-c1c(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)cnn1C ZINC001360293411 1065128286 /nfs/dbraw/zinc/12/82/86/1065128286.db2.gz HIFGGZBAZNVJID-UHFFFAOYSA-N 0 0 458.562 4.558 20 0 JJADRN COc1ccc(CCCCC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1OC ZINC001436032543 1065129279 /nfs/dbraw/zinc/12/92/79/1065129279.db2.gz HSIAJAFJTCXTRQ-QGZVFWFLSA-N 0 0 452.320 4.568 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001360296200 1065129388 /nfs/dbraw/zinc/12/93/88/1065129388.db2.gz BZZQOJSGDFNMCN-CVEARBPZSA-N 0 0 463.239 4.531 20 0 JJADRN Cn1ncc(C(F)(F)F)c1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001360296165 1065129399 /nfs/dbraw/zinc/12/93/99/1065129399.db2.gz AUNNWQUVZSXOKX-UHFFFAOYSA-N 0 0 458.227 4.645 20 0 JJADRN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001360296100 1065129411 /nfs/dbraw/zinc/12/94/11/1065129411.db2.gz YLTXPUMQAQZDGC-MRXNPFEDSA-N 0 0 480.440 4.705 20 0 JJADRN CO[C@@H](C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1C(F)(F)F ZINC001436032959 1065129891 /nfs/dbraw/zinc/12/98/91/1065129891.db2.gz KXWCCCXKDPHAAY-GCJKJVERSA-N 0 0 456.505 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)cs2)[C@H](c2ccncc2)C1 ZINC001436032881 1065129934 /nfs/dbraw/zinc/12/99/34/1065129934.db2.gz JCBXGWYOOBCIRE-FQEVSTJZSA-N 0 0 450.564 4.639 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1sccc1Br ZINC001360296662 1065130200 /nfs/dbraw/zinc/13/02/00/1065130200.db2.gz AQILZJVTMGKWCJ-UHFFFAOYSA-N 0 0 450.379 4.878 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cnn1CCC(C)C ZINC001360297338 1065130725 /nfs/dbraw/zinc/13/07/25/1065130725.db2.gz QZOSCSJNKSLRFM-UHFFFAOYSA-N 0 0 453.608 4.859 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)OCc3c(F)ccc(Br)c3F)cc2)C[C@H](C)O1 ZINC001436033797 1065131408 /nfs/dbraw/zinc/13/14/08/1065131408.db2.gz MMPNAEVGCFBQEY-KBPBESRZSA-N 0 0 454.311 4.694 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001436034864 1065131485 /nfs/dbraw/zinc/13/14/85/1065131485.db2.gz XFXKMJYZVXPMIF-AREMUKBSSA-N 0 0 453.583 4.887 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001360297413 1065131666 /nfs/dbraw/zinc/13/16/66/1065131666.db2.gz SVXFXSYKQVAVJE-LJAQVGFWSA-N 0 0 455.548 4.517 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H]2CCc3ccccc3OC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001436035965 1065132009 /nfs/dbraw/zinc/13/20/09/1065132009.db2.gz PHKJJJJGEXIPPB-BDTNDASRSA-N 0 0 470.997 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3cc(F)cc(Br)c3F)C2)C1 ZINC001436035153 1065132054 /nfs/dbraw/zinc/13/20/54/1065132054.db2.gz ZMFUIFBEAWNLCN-HXUWFJFHSA-N 0 0 459.331 4.591 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1)C(C)C ZINC001360299622 1065132237 /nfs/dbraw/zinc/13/22/37/1065132237.db2.gz NUWRPTXDMWTVCR-UHFFFAOYSA-N 0 0 455.356 4.644 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@H](Cc2ccccc2)c2cccs2)CC1=O ZINC001360299039 1065132281 /nfs/dbraw/zinc/13/22/81/1065132281.db2.gz ALVHGTDSVZEBEN-PKOBYXMFSA-N 0 0 454.979 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)c2cccc(Cl)c2)[C@H](c2ccncc2)C1 ZINC001436036324 1065132866 /nfs/dbraw/zinc/13/28/66/1065132866.db2.gz XXWHHNFTHPGNNA-SFHVURJKSA-N 0 0 451.901 4.647 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001360300742 1065133517 /nfs/dbraw/zinc/13/35/17/1065133517.db2.gz YNGGKUQCFGVLQX-NEPJUHHUSA-N 0 0 456.431 4.857 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC001360300667 1065133570 /nfs/dbraw/zinc/13/35/70/1065133570.db2.gz WHDYHDGMKKMJTK-DLLPINGYSA-N 0 0 450.629 4.723 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC001360301733 1065134284 /nfs/dbraw/zinc/13/42/84/1065134284.db2.gz GKAZHLPAJXTFJM-UHFFFAOYSA-N 0 0 493.559 4.845 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1 ZINC001360302294 1065134911 /nfs/dbraw/zinc/13/49/11/1065134911.db2.gz ZJQSWLYKYTULLZ-VQIMIIECSA-N 0 0 487.530 4.553 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)[C@H](C)C2)cc1 ZINC001360302087 1065134950 /nfs/dbraw/zinc/13/49/50/1065134950.db2.gz RQQSHSZIUXXHPK-IAGOWNOFSA-N 0 0 468.005 4.664 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N3CCC[C@@H](C(C)(C)C)C3)cc2OC)cc1 ZINC001436040324 1065134999 /nfs/dbraw/zinc/13/49/99/1065134999.db2.gz JXOORDOWUIGLHQ-LJQANCHMSA-N 0 0 454.567 4.620 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@@H]1CNC(=O)c2ccccc21 ZINC001436041480 1065135761 /nfs/dbraw/zinc/13/57/61/1065135761.db2.gz JOAIGLRAPCYBOW-GOSISDBHSA-N 0 0 455.283 4.846 20 0 JJADRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)Cc1noc2ccc(Br)cc12 ZINC001436040837 1065135826 /nfs/dbraw/zinc/13/58/26/1065135826.db2.gz QLABDSZTZZXAOD-IBGZPJMESA-N 0 0 453.258 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC001436042330 1065136473 /nfs/dbraw/zinc/13/64/73/1065136473.db2.gz AZFBALJKKSJJPA-RCCFBDPRSA-N 0 0 456.505 4.841 20 0 JJADRN CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(Br)c3cccnc23)n1 ZINC001436042896 1065137203 /nfs/dbraw/zinc/13/72/03/1065137203.db2.gz FOVQJNIGINOZGY-UHFFFAOYSA-N 0 0 452.150 4.964 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(-n2cncn2)n1 ZINC001436042868 1065137234 /nfs/dbraw/zinc/13/72/34/1065137234.db2.gz WQYMPVYRTHUINH-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN COc1ccc(CN(C(=O)c2nn(C(C)C)cc2Br)[C@@H](C)C2CC2)c(OC)c1 ZINC001436043284 1065137997 /nfs/dbraw/zinc/13/79/97/1065137997.db2.gz FQGYUVUEXAFRLO-AWEZNQCLSA-N 0 0 450.377 4.685 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(N3CCC(C)(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001360304895 1065138537 /nfs/dbraw/zinc/13/85/37/1065138537.db2.gz RQXGAOSDTUTURU-MHZLTWQESA-N 0 0 498.672 4.523 20 0 JJADRN COC(=O)c1c(F)cc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1F ZINC001436044070 1065138665 /nfs/dbraw/zinc/13/86/65/1065138665.db2.gz NPYIFGABWDXORB-UHFFFAOYSA-N 0 0 451.429 4.539 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(C)C)CC2)cc1 ZINC001360304921 1065139351 /nfs/dbraw/zinc/13/93/51/1065139351.db2.gz RWUNHHWTADOFLW-UHFFFAOYSA-N 0 0 475.641 4.715 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC001436044994 1065139803 /nfs/dbraw/zinc/13/98/03/1065139803.db2.gz OIMZETJSVSJRIR-LJQANCHMSA-N 0 0 452.595 4.759 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC001436045174 1065139835 /nfs/dbraw/zinc/13/98/35/1065139835.db2.gz FHMJWVMOZWFPLO-UHFFFAOYSA-N 0 0 456.486 4.633 20 0 JJADRN O=C(CN(C(=O)c1cc(Cl)c(Br)cc1F)c1ccccc1)N1CCCCC1 ZINC001360306089 1065141276 /nfs/dbraw/zinc/14/12/76/1065141276.db2.gz RMEGHESMEKRTHY-UHFFFAOYSA-N 0 0 453.739 4.901 20 0 JJADRN O=C(c1ccccc1)N1CCC(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001436046081 1065141291 /nfs/dbraw/zinc/14/12/91/1065141291.db2.gz RKZTXUQKOXCMGH-UHFFFAOYSA-N 0 0 455.396 4.708 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CC[C@@H](c3ccccn3)C2)cc1)c1ccc(Br)cc1 ZINC001436046602 1065141336 /nfs/dbraw/zinc/14/13/36/1065141336.db2.gz ZLSICMQFYKNZAS-GOSISDBHSA-N 0 0 450.336 4.726 20 0 JJADRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001360305912 1065141325 /nfs/dbraw/zinc/14/13/25/1065141325.db2.gz KBJIJGGOWFEPDT-VWLOTQADSA-N 0 0 452.501 4.580 20 0 JJADRN O=C(CCc1cccc(F)c1F)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308286 1065143090 /nfs/dbraw/zinc/14/30/90/1065143090.db2.gz IYTCPYFDLPEPDV-UHFFFAOYSA-N 0 0 451.441 4.788 20 0 JJADRN O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001360308430 1065143790 /nfs/dbraw/zinc/14/37/90/1065143790.db2.gz LAIHJCHGLDXNAT-UHFFFAOYSA-N 0 0 452.913 4.656 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC001436049636 1065144037 /nfs/dbraw/zinc/14/40/37/1065144037.db2.gz ZYPZNUIXIOOZLE-UHFFFAOYSA-N 0 0 458.118 4.748 20 0 JJADRN COc1cccc(C(C)(C)C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 ZINC001360308703 1065144481 /nfs/dbraw/zinc/14/44/81/1065144481.db2.gz PZZCPKKWXFREOW-UHFFFAOYSA-N 0 0 459.514 4.864 20 0 JJADRN CCc1nc(C(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)nn1-c1ccccc1F ZINC001436052513 1065146102 /nfs/dbraw/zinc/14/61/02/1065146102.db2.gz HANGXASJAKEOEP-HNNXBMFYSA-N 0 0 457.347 4.708 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC001436053620 1065147425 /nfs/dbraw/zinc/14/74/25/1065147425.db2.gz OBRQLEZNCHMOKR-GOSISDBHSA-N 0 0 452.986 4.961 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc2ccc(Br)cc2s1 ZINC001436055230 1065147963 /nfs/dbraw/zinc/14/79/63/1065147963.db2.gz FKLMIFRNXMEQMO-QGZVFWFLSA-N 0 0 459.365 4.834 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)COc1cccc(Br)c1 ZINC001436054737 1065148096 /nfs/dbraw/zinc/14/80/96/1065148096.db2.gz RVKOVLPQTMHNMS-OAHLLOKOSA-N 0 0 453.174 4.954 20 0 JJADRN Cc1cc(Cl)ccc1O[C@@H](C(=O)NCCNC(=O)c1c(F)cccc1F)c1ccccc1 ZINC001360311319 1065148488 /nfs/dbraw/zinc/14/84/88/1065148488.db2.gz SRBAJIDRJLWBJE-JOCHJYFZSA-N 0 0 458.892 4.593 20 0 JJADRN Cc1cccnc1Oc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC001436056076 1065148660 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BVJOXKBUJHUROR-UHFFFAOYSA-N 0 0 450.274 4.596 20 0 JJADRN CCN(C(=O)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317588 1065151157 /nfs/dbraw/zinc/15/11/57/1065151157.db2.gz YIKHYJNRGIFNAO-MRXNPFEDSA-N 0 0 457.514 4.878 20 0 JJADRN CCN(C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001360317467 1065151233 /nfs/dbraw/zinc/15/12/33/1065151233.db2.gz UKLFTRMBJCYNCH-QRQCRPRQSA-N 0 0 453.505 4.506 20 0 JJADRN CCC(=O)Nc1cccc(COC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c1 ZINC001436059631 1065151291 /nfs/dbraw/zinc/15/12/91/1065151291.db2.gz BJHDRRSHNJXNMS-UHFFFAOYSA-N 0 0 452.820 4.645 20 0 JJADRN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(F)c(Br)c1 ZINC001360318289 1065152088 /nfs/dbraw/zinc/15/20/88/1065152088.db2.gz KETWMOHVYZKVTL-UHFFFAOYSA-N 0 0 453.052 4.882 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC001436059850 1065152076 /nfs/dbraw/zinc/15/20/76/1065152076.db2.gz GEFQMYVMXHTYSM-SOUVJXGZSA-N 0 0 450.352 4.729 20 0 JJADRN 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CC(C)(C)OC(=O)N1CCc2cc(C(=O)N(CCc3ccccn3)Cc3ccncc3)ccc21 ZINC001436066166 1065156309 /nfs/dbraw/zinc/15/63/09/1065156309.db2.gz BJIZUXKCZNOLKJ-UHFFFAOYSA-N 0 0 458.562 4.659 20 0 JJADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1sccc1Cl ZINC001436067539 1065157407 /nfs/dbraw/zinc/15/74/07/1065157407.db2.gz GRMKINGTCNVNLS-UHFFFAOYSA-N 0 0 455.919 4.953 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360320995 1065157894 /nfs/dbraw/zinc/15/78/94/1065157894.db2.gz IOZYDHZJTPWHLW-JOCHJYFZSA-N 0 0 496.464 4.961 20 0 JJADRN COCc1c(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cnn1-c1ccccc1 ZINC001436071746 1065160221 /nfs/dbraw/zinc/16/02/21/1065160221.db2.gz ABKNJEIQAGYFKX-UHFFFAOYSA-N 0 0 454.502 4.905 20 0 JJADRN Cc1nc(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)sc1Cc1ccc(F)cc1F ZINC001436071835 1065160230 /nfs/dbraw/zinc/16/02/30/1065160230.db2.gz CNUFGIRSCYWODJ-QFIPXVFZSA-N 0 0 451.539 4.906 20 0 JJADRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(Cl)c(F)cc1Br ZINC001360323206 1065160704 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XUQDXIFTEHOJLV-HSZRJFAPSA-N 0 0 455.913 4.962 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@]2(C)CCCS2)CCOC1 ZINC001360324143 1065162565 /nfs/dbraw/zinc/16/25/65/1065162565.db2.gz MCVKLNIEHLIMON-GOTSBHOMSA-N 0 0 465.063 4.894 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2CC(F)(F)C2)CCOC1 ZINC001360324353 1065163785 /nfs/dbraw/zinc/16/37/85/1065163785.db2.gz OEAABRBHKXAPPZ-IBGZPJMESA-N 0 0 460.978 4.715 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360324555 1065164196 /nfs/dbraw/zinc/16/41/96/1065164196.db2.gz QERXFBTYMJYHIL-WGGBDISSSA-N 0 0 450.986 4.965 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CCOC1 ZINC001360324634 1065164199 /nfs/dbraw/zinc/16/41/99/1065164199.db2.gz QQLQFVZMISQIOE-MFSJNOQSSA-N 0 0 496.574 4.789 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360324556 1065164221 /nfs/dbraw/zinc/16/42/21/1065164221.db2.gz QERXFBTYMJYHIL-XTQVGHSUSA-N 0 0 450.986 4.965 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC2(O)CCCCCC2)CCOC1 ZINC001360324750 1065164948 /nfs/dbraw/zinc/16/49/48/1065164948.db2.gz ROJPYALJQRQFAL-RUZDIDTESA-N 0 0 495.039 4.833 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O)C1CCCC1 ZINC001436077103 1065165125 /nfs/dbraw/zinc/16/51/25/1065165125.db2.gz LFZFVDNMQAGHFP-FQEVSTJZSA-N 0 0 459.974 4.921 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Br ZINC001436076698 1065165282 /nfs/dbraw/zinc/16/52/82/1065165282.db2.gz LSRKJKYCAIVBGR-UNMCSNQZSA-N 0 0 455.396 4.973 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccco3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001360325075 1065166270 /nfs/dbraw/zinc/16/62/70/1065166270.db2.gz XRSFSZKWUHFRKQ-NTKDMRAZSA-N 0 0 456.612 4.729 20 0 JJADRN O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001436078968 1065166420 /nfs/dbraw/zinc/16/64/20/1065166420.db2.gz NQAJHUNTBWRXNS-GOSISDBHSA-N 0 0 457.317 4.819 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1N1CCOCC1 ZINC001436078560 1065166524 /nfs/dbraw/zinc/16/65/24/1065166524.db2.gz JHXXVKQPNIBYHE-UHFFFAOYSA-N 0 0 459.333 4.973 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1S(C)(=O)=O ZINC001436079692 1065166532 /nfs/dbraw/zinc/16/65/32/1065166532.db2.gz SEBGNBYEWWASNL-UHFFFAOYSA-N 0 0 452.319 4.540 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1)c1ccccc1 ZINC001436080682 1065167051 /nfs/dbraw/zinc/16/70/51/1065167051.db2.gz CTCSZTMWOBYLDV-ZDUSSCGKSA-N 0 0 455.274 4.593 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cs1 ZINC001436080873 1065167143 /nfs/dbraw/zinc/16/71/43/1065167143.db2.gz GNGTZEWIGMIVKN-GOSISDBHSA-N 0 0 451.617 4.869 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)ccc1Br ZINC001436080096 1065167167 /nfs/dbraw/zinc/16/71/67/1065167167.db2.gz RUXRPYDHTNOEJM-GOSISDBHSA-N 0 0 456.789 4.792 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CC3CC3)n2C[C@@H](F)c2ccc(Br)cc2)CCOC1 ZINC001360325687 1065167493 /nfs/dbraw/zinc/16/74/93/1065167493.db2.gz KGAWCHQHCDYORY-DENIHFKCSA-N 0 0 481.410 4.638 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360325545 1065167521 /nfs/dbraw/zinc/16/75/21/1065167521.db2.gz IAAHLFZXTSSLBA-IPVFLDMMSA-N 0 0 472.605 4.718 20 0 JJADRN C[C@@H](c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1)C(F)(F)F ZINC001436082155 1065168277 /nfs/dbraw/zinc/16/82/77/1065168277.db2.gz HJVPHURZCZLNGN-YVEFUNNKSA-N 0 0 455.274 4.650 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCCC(C)(C)C)CCOC1 ZINC001360326054 1065168673 /nfs/dbraw/zinc/16/86/73/1065168673.db2.gz QUDQDDLYQJFWLB-QFIPXVFZSA-N 0 0 486.583 4.534 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360326275 1065168691 /nfs/dbraw/zinc/16/86/91/1065168691.db2.gz VRXYULLKNYEAQG-CLOONOSVSA-N 0 0 460.594 4.552 20 0 JJADRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC001436083011 1065168876 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20 0 JJADRN Cc1csc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1I ZINC001360327326 1065169993 /nfs/dbraw/zinc/16/99/93/1065169993.db2.gz SRKKGDWMQDDVGQ-UHFFFAOYSA-N 0 0 455.361 4.730 20 0 JJADRN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)[C@@H]1C ZINC001436085048 1065170181 /nfs/dbraw/zinc/17/01/81/1065170181.db2.gz CATSMOMWJUQYHP-CIWUYKSXSA-N 0 0 451.405 4.739 20 0 JJADRN COc1cccc(C2(NC(=O)c3cc(Br)cc4cccnc43)CCOCC2)c1F ZINC001436085730 1065170793 /nfs/dbraw/zinc/17/07/93/1065170793.db2.gz APASSVMXHBWMRD-UHFFFAOYSA-N 0 0 459.315 4.581 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)C1 ZINC001436085727 1065170801 /nfs/dbraw/zinc/17/08/01/1065170801.db2.gz AHTLVKPCQJDBFF-YQJHKJFNSA-N 0 0 450.579 4.516 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCC(F)(F)F)n2Cc2cccc(C(F)F)c2)CCOC1 ZINC001360328437 1065171206 /nfs/dbraw/zinc/17/12/06/1065171206.db2.gz GCVSVJBNJJDZMY-HXUWFJFHSA-N 0 0 462.463 4.693 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2CCSC(F)(F)F)CCOC1 ZINC001360328856 1065171214 /nfs/dbraw/zinc/17/12/14/1065171214.db2.gz NGLCPAKDEUSPKB-IBGZPJMESA-N 0 0 450.571 4.588 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1ccc(-c2nc[nH]n2)cc1F ZINC001436087096 1065171577 /nfs/dbraw/zinc/17/15/77/1065171577.db2.gz BYTOFJGFKIKRDB-UHFFFAOYSA-N 0 0 456.275 4.600 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CCC3CCOCC3)n2CC(C)(C)c2cccs2)CCOC1 ZINC001360329241 1065171801 /nfs/dbraw/zinc/17/18/01/1065171801.db2.gz UYPUFYIHDYCAEM-VWLOTQADSA-N 0 0 476.687 4.611 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(Cc3cccs3)C(C)C)n2C[C@@]2(O)CCCC2(C)C)CCOC1 ZINC001360329643 1065172220 /nfs/dbraw/zinc/17/22/20/1065172220.db2.gz BFJPFESBKOAENK-RPBOFIJWSA-N 0 0 476.687 4.736 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCc3nccs3)n2C[C@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360329516 1065172312 /nfs/dbraw/zinc/17/23/12/1065172312.db2.gz ZIDNOCPKFKLEAU-PGRDOPGGSA-N 0 0 483.629 4.670 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCCCC(F)(F)C2)CCOC1 ZINC001360329517 1065172339 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ZINC001360333856 1065179421 /nfs/dbraw/zinc/17/94/21/1065179421.db2.gz LKUXTLVZJAYRRN-OYLFLEFRSA-N 0 0 484.538 4.796 20 0 JJADRN CN(C(=O)COc1ccc(I)cc1)c1nc2cccc(Cl)c2s1 ZINC001436100615 1065179983 /nfs/dbraw/zinc/17/99/83/1065179983.db2.gz IFQODHTYUIHKJD-UHFFFAOYSA-N 0 0 458.708 4.596 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)CCOC1 ZINC001360335365 1065181266 /nfs/dbraw/zinc/18/12/66/1065181266.db2.gz DAJZUYDODXBXKV-POGFHVCPSA-N 0 0 462.679 4.786 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H](C)Oc2cccc(F)c2)CCOC1 ZINC001360335379 1065181333 /nfs/dbraw/zinc/18/13/33/1065181333.db2.gz DDMSTEOLWISFEG-BVFVYWQFSA-N 0 0 474.621 4.798 20 0 JJADRN CC(C)O[C@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCO[C@H]2CCCC[C@@H]2C)CCOC1 ZINC001360335561 1065182003 /nfs/dbraw/zinc/18/20/03/1065182003.db2.gz GGVVQZOYGJXOPJ-OYSWMMLKSA-N 0 0 462.679 4.786 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N3CC[C@@H](c4ccccc4)C3)n2CC(C)(C)C(F)(F)F)CCOC1 ZINC001360335976 1065183497 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ZDVLXBWLBDMNOU-AVRWGWEMSA-N 0 0 489.016 4.966 20 0 JJADRN Cn1nc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1C(F)F ZINC001360363545 1065219269 /nfs/dbraw/zinc/21/92/69/1065219269.db2.gz FYNDVWKZVPWJQB-UHFFFAOYSA-N 0 0 452.383 4.559 20 0 JJADRN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001436155435 1065219316 /nfs/dbraw/zinc/21/93/16/1065219316.db2.gz NJPKOYSGCVRWGM-SFHVURJKSA-N 0 0 452.860 4.895 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCCC2)CC1 ZINC001360363596 1065219439 /nfs/dbraw/zinc/21/94/39/1065219439.db2.gz AABPVWSCRQGSGG-UHFFFAOYSA-N 0 0 481.410 4.546 20 0 JJADRN Cc1ccc(C(=O)c2cc(Br)sc2NC(=O)c2cccn(C3CC3)c2=O)cc1 ZINC001436155725 1065219392 /nfs/dbraw/zinc/21/93/92/1065219392.db2.gz SWNIJEWWCQKALJ-UHFFFAOYSA-N 0 0 457.349 4.799 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001360363707 1065219858 /nfs/dbraw/zinc/21/98/58/1065219858.db2.gz BXLBZLQTOWGSCF-UHFFFAOYSA-N 0 0 494.640 4.802 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360363790 1065219887 /nfs/dbraw/zinc/21/98/87/1065219887.db2.gz JBUKFXYBHDQOLS-INIZCTEOSA-N 0 0 459.937 4.972 20 0 JJADRN Cc1ccc(F)c(CC(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1 ZINC001436157682 1065220373 /nfs/dbraw/zinc/22/03/73/1065220373.db2.gz USXWPLXZSXCXSW-UHFFFAOYSA-N 0 0 458.331 4.895 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC001436158006 1065220385 /nfs/dbraw/zinc/22/03/85/1065220385.db2.gz CMRZNBSRACALQG-UHFFFAOYSA-N 0 0 456.907 4.618 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC001436159856 1065221615 /nfs/dbraw/zinc/22/16/15/1065221615.db2.gz JUOVARIYHCRUIN-MRXNPFEDSA-N 0 0 456.530 4.891 20 0 JJADRN CCn1c(CNC(=O)c2occc2COc2ccccc2)nc2cc(Br)ccc21 ZINC001436162283 1065222710 /nfs/dbraw/zinc/22/27/10/1065222710.db2.gz WXFGIGUWSXSJQE-UHFFFAOYSA-N 0 0 454.324 4.921 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001360365006 1065222757 /nfs/dbraw/zinc/22/27/57/1065222757.db2.gz WVOCQHBRPAZUNM-IRXDYDNUSA-N 0 0 495.437 4.913 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360364831 1065222766 /nfs/dbraw/zinc/22/27/66/1065222766.db2.gz SUHWDQQJGQXEGB-QHCPKHFHSA-N 0 0 461.031 4.962 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001436162629 1065223407 /nfs/dbraw/zinc/22/34/07/1065223407.db2.gz CPTHCXDSFVDOBE-SFHVURJKSA-N 0 0 458.580 4.659 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC001436164369 1065223705 /nfs/dbraw/zinc/22/37/05/1065223705.db2.gz ANDKTSLHVJJFQY-VBHSOAQHSA-N 0 0 459.812 4.795 20 0 JJADRN CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001436166144 1065224831 /nfs/dbraw/zinc/22/48/31/1065224831.db2.gz RNPIJNZVRCGYPB-LJQANCHMSA-N 0 0 456.514 4.890 20 0 JJADRN CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001436166141 1065225027 /nfs/dbraw/zinc/22/50/27/1065225027.db2.gz RNPIJNZVRCGYPB-IBGZPJMESA-N 0 0 456.514 4.890 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360366398 1065224902 /nfs/dbraw/zinc/22/49/02/1065224902.db2.gz AFBSHSLHJLGTQF-UQBPGWFLSA-N 0 0 476.612 4.992 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(Br)s2)CC1 ZINC001360366753 1065225453 /nfs/dbraw/zinc/22/54/53/1065225453.db2.gz HZZQZQSMAJOHTE-UHFFFAOYSA-N 0 0 490.471 4.724 20 0 JJADRN COc1cccc([C@@H]2[C@H](C(=O)NC[C@H](c3ccc(Cl)cc3)C(C)C)CC(=O)N2C2CC2)c1 ZINC001436167713 1065225852 /nfs/dbraw/zinc/22/58/52/1065225852.db2.gz KRGAZPLQZGXCNI-GIFXNVAJSA-N 0 0 454.998 4.957 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)CCCOC1 ZINC001436167442 1065225925 /nfs/dbraw/zinc/22/59/25/1065225925.db2.gz MHJGMEWLAZFMEA-NRFANRHFSA-N 0 0 451.976 4.724 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccncc3)n2CCCSc2ccccc2)CC1 ZINC001360367271 1065226071 /nfs/dbraw/zinc/22/60/71/1065226071.db2.gz RMSWBQFFOBSEQB-UHFFFAOYSA-N 0 0 451.640 4.840 20 0 JJADRN O=C(c1c(Br)cccc1Br)N1CCCN(c2ccccc2F)CC1 ZINC001436167918 1065226264 /nfs/dbraw/zinc/22/62/64/1065226264.db2.gz WZDTXIZGJZAVMK-UHFFFAOYSA-N 0 0 456.153 4.703 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N(Cc3cccc(Br)c3)CC3CC3)CC2=O)ccc1F ZINC001436168151 1065226368 /nfs/dbraw/zinc/22/63/68/1065226368.db2.gz XMEWOEXGBBIZOO-SFHVURJKSA-N 0 0 459.359 4.688 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC=CCC2)CCO1 ZINC001360367692 1065226648 /nfs/dbraw/zinc/22/66/48/1065226648.db2.gz KEBIUBGZGVEOLR-QTEQDKRBSA-N 0 0 458.578 4.544 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001360367717 1065226688 /nfs/dbraw/zinc/22/66/88/1065226688.db2.gz ZRZYYGYPUAEPBL-XMMPIXPASA-N 0 0 483.060 4.614 20 0 JJADRN Cc1cc([C@H](OC(=O)c2ccnc(N3CCCCC3)n2)C(F)(F)F)ccc1Br ZINC001436169118 1065226903 /nfs/dbraw/zinc/22/69/03/1065226903.db2.gz MQGAXEATISCXCG-INIZCTEOSA-N 0 0 458.278 4.998 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2ccnc(N3CCCCC3)n2)C(F)(F)F)ccc1Br ZINC001436169124 1065227075 /nfs/dbraw/zinc/22/70/75/1065227075.db2.gz MQGAXEATISCXCG-MRXNPFEDSA-N 0 0 458.278 4.998 20 0 JJADRN CC(C)OC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 ZINC001360367800 1065227145 /nfs/dbraw/zinc/22/71/45/1065227145.db2.gz MMTQDTPYSIGVSJ-UHFFFAOYSA-N 0 0 475.062 4.594 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001360367877 1065227284 /nfs/dbraw/zinc/22/72/84/1065227284.db2.gz NXMRIOUKCFLOIU-SBHAEUEKSA-N 0 0 479.641 4.882 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1Cc1sccc1C ZINC001545895857 1065227608 /nfs/dbraw/zinc/22/76/08/1065227608.db2.gz GZGOGTAPMOLAJH-KRWDZBQOSA-N 0 0 472.684 4.764 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC(C)(C)C2CC2)CCO1 ZINC001360368032 1065227696 /nfs/dbraw/zinc/22/76/96/1065227696.db2.gz RAYFNVJVHNJBQW-IBGZPJMESA-N 0 0 494.478 4.503 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001360368036 1065227882 /nfs/dbraw/zinc/22/78/82/1065227882.db2.gz RDRWANKNVOJRRK-FCJDFRRUSA-N 0 0 462.679 4.652 20 0 JJADRN CC(C)OC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001360368038 1065227940 /nfs/dbraw/zinc/22/79/40/1065227940.db2.gz RDRWANKNVOJRRK-MLDBQTBOSA-N 0 0 462.679 4.652 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001436171498 1065227998 /nfs/dbraw/zinc/22/79/98/1065227998.db2.gz RZMBGWZDSQFIFF-ZDUSSCGKSA-N 0 0 451.283 4.551 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc2)c1 ZINC001360368662 1065228320 /nfs/dbraw/zinc/22/83/20/1065228320.db2.gz JWRLOHZKMUCKNR-AREMUKBSSA-N 0 0 454.567 4.595 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@H]1c1cccc(C)c1 ZINC001436172294 1065228515 /nfs/dbraw/zinc/22/85/15/1065228515.db2.gz DOQZXZFWEGKPGP-AUUYWEPGSA-N 0 0 458.381 4.915 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC2(C)C)CCO1 ZINC001360370707 1065229917 /nfs/dbraw/zinc/22/99/17/1065229917.db2.gz QGFRFUDDGDPQBQ-DOTOQJQBSA-N 0 0 453.414 4.928 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CC2(C)C)CCO1 ZINC001360370708 1065230044 /nfs/dbraw/zinc/23/00/44/1065230044.db2.gz QGFRFUDDGDPQBQ-NVXWUHKLSA-N 0 0 453.414 4.928 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2[C@H]2C[C@@H]2C)CCO1 ZINC001360370888 1065230574 /nfs/dbraw/zinc/23/05/74/1065230574.db2.gz UMRJOYOVQHDZOK-YEWWUXTCSA-N 0 0 469.811 4.572 20 0 JJADRN COC1(CNC(=O)c2cc(Br)c3nccnc3c2)CCC(c2ccccc2)CC1 ZINC001436177938 1065231585 /nfs/dbraw/zinc/23/15/85/1065231585.db2.gz NVSUWTSUESCDIN-UHFFFAOYSA-N 0 0 454.368 4.865 20 0 JJADRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N[C@H]3CCOC3)o2)cc1 ZINC001436179913 1065232127 /nfs/dbraw/zinc/23/21/27/1065232127.db2.gz GBTRKNYNIVSTGB-SFTDATJTSA-N 0 0 454.567 4.754 20 0 JJADRN Cc1ccc(CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c2ccc(F)cc2)o1 ZINC001360373938 1065232062 /nfs/dbraw/zinc/23/20/62/1065232062.db2.gz ICYURVGVLWJTNB-UHFFFAOYSA-N 0 0 458.555 4.959 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001360374779 1065232708 /nfs/dbraw/zinc/23/27/08/1065232708.db2.gz HASGTJLIEYAHTH-CTNGQTDRSA-N 0 0 495.089 4.669 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001436180393 1065232767 /nfs/dbraw/zinc/23/27/67/1065232767.db2.gz AHSWWSQDLXCRCI-IRLDBZIGSA-N 0 0 456.428 4.820 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001360375501 1065233270 /nfs/dbraw/zinc/23/32/70/1065233270.db2.gz KMKDZNLZEYQURD-HXUWFJFHSA-N 0 0 457.958 4.582 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)CCO1 ZINC001360374841 1065233336 /nfs/dbraw/zinc/23/33/36/1065233336.db2.gz IHYLPLIRTCHISH-FXAWDEMLSA-N 0 0 484.975 4.576 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)CCO1 ZINC001360374844 1065233459 /nfs/dbraw/zinc/23/34/59/1065233459.db2.gz IHYLPLIRTCHISH-YLJYHZDGSA-N 0 0 484.975 4.576 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360374856 1065233475 /nfs/dbraw/zinc/23/34/75/1065233475.db2.gz IOADOVXAMVZBRE-QFIPXVFZSA-N 0 0 468.667 4.733 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CCO1 ZINC001360376279 1065233892 /nfs/dbraw/zinc/23/38/92/1065233892.db2.gz ZHNFHYGNJKJNSK-VNXZQDSDSA-N 0 0 462.679 4.625 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001360376380 1065234539 /nfs/dbraw/zinc/23/45/39/1065234539.db2.gz BTIZLQAGTPWYLK-PMOQBDJRSA-N 0 0 474.671 4.569 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)Nc2c(C)cc(OC)c(C)c2C)nnc1-c1ccccc1 ZINC001436183223 1065235107 /nfs/dbraw/zinc/23/51/07/1065235107.db2.gz SEFHGKUPDSISFU-MRXNPFEDSA-N 0 0 454.596 4.817 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001360376445 1065235108 /nfs/dbraw/zinc/23/51/08/1065235108.db2.gz DJRXFOBMAUKCAX-UWJYYQICSA-N 0 0 450.986 4.948 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001360376455 1065235146 /nfs/dbraw/zinc/23/51/46/1065235146.db2.gz DQTNRRVVGVKLPE-LJQANCHMSA-N 0 0 451.409 4.528 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001360376443 1065235245 /nfs/dbraw/zinc/23/52/45/1065235245.db2.gz DJRXFOBMAUKCAX-LAUBAEHRSA-N 0 0 450.986 4.948 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001436183961 1065235764 /nfs/dbraw/zinc/23/57/64/1065235764.db2.gz ZSTWRMTURDDBRA-AWEZNQCLSA-N 0 0 451.539 4.998 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360376537 1065235762 /nfs/dbraw/zinc/23/57/62/1065235762.db2.gz GOCIONYQKINSOV-OAHLLOKOSA-N 0 0 474.394 4.733 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001360376600 1065235787 /nfs/dbraw/zinc/23/57/87/1065235787.db2.gz IXFQAPRHKMZSGQ-HXOBKFHXSA-N 0 0 483.440 4.841 20 0 JJADRN CC(C)OCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360376724 1065236317 /nfs/dbraw/zinc/23/63/17/1065236317.db2.gz MTAHUNJYANYLST-NRFANRHFSA-N 0 0 462.038 4.545 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCC[C@@H]1COC(=O)N(C)C ZINC001436186090 1065236745 /nfs/dbraw/zinc/23/67/45/1065236745.db2.gz KWBJZOAOXIBFDN-MRXNPFEDSA-N 0 0 455.502 4.830 20 0 JJADRN CC(C)OCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360376884 1065236978 /nfs/dbraw/zinc/23/69/78/1065236978.db2.gz QROCCPVWVCKGOL-QHCPKHFHSA-N 0 0 496.494 4.893 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)CC1=O ZINC001436187131 1065237486 /nfs/dbraw/zinc/23/74/86/1065237486.db2.gz YRGXBHTVLIFBEW-PWRODBHTSA-N 0 0 450.579 4.632 20 0 JJADRN CC(C)OCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001360376994 1065237596 /nfs/dbraw/zinc/23/75/96/1065237596.db2.gz UONFEDFNYHEVGA-UWVAXJGDSA-N 0 0 488.526 4.918 20 0 JJADRN O=C(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC001436187582 1065238027 /nfs/dbraw/zinc/23/80/27/1065238027.db2.gz CCDMRIFJOZHHBN-INIZCTEOSA-N 0 0 459.415 4.985 20 0 JJADRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC001436187782 1065238156 /nfs/dbraw/zinc/23/81/56/1065238156.db2.gz WVOZYRZJUPHQQQ-RBBKRZOGSA-N 0 0 452.599 4.859 20 0 JJADRN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NCCn1cc(Br)cn1 ZINC001436187500 1065238193 /nfs/dbraw/zinc/23/81/93/1065238193.db2.gz AUKLISOZMBXQBB-FVMVZYBBSA-N 0 0 457.199 4.967 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC001436188456 1065238590 /nfs/dbraw/zinc/23/85/90/1065238590.db2.gz KMBJWKGTTOMCLQ-LJQANCHMSA-N 0 0 456.543 4.678 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC001436188455 1065238800 /nfs/dbraw/zinc/23/88/00/1065238800.db2.gz KMBJWKGTTOMCLQ-IBGZPJMESA-N 0 0 456.543 4.678 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccc(Br)s1 ZINC001436188769 1065239087 /nfs/dbraw/zinc/23/90/87/1065239087.db2.gz IEYAYJPNBLQURM-OWCLPIDISA-N 0 0 457.434 4.864 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3)cn2)C1 ZINC001436188878 1065239098 /nfs/dbraw/zinc/23/90/98/1065239098.db2.gz IUUUFJCNMPQOQQ-RBBKRZOGSA-N 0 0 451.567 4.524 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3)cn2)C1 ZINC001436188880 1065239271 /nfs/dbraw/zinc/23/92/71/1065239271.db2.gz IUUUFJCNMPQOQQ-UNMCSNQZSA-N 0 0 451.567 4.524 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001360378773 1065239122 /nfs/dbraw/zinc/23/91/22/1065239122.db2.gz ADSAHVAVRWBIMU-JOCHJYFZSA-N 0 0 473.980 4.916 20 0 JJADRN CC(C)OCCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001360378902 1065239230 /nfs/dbraw/zinc/23/92/30/1065239230.db2.gz FJEOZUZYEVKUED-UHFFFAOYSA-N 0 0 497.713 4.622 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC001436189251 1065239655 /nfs/dbraw/zinc/23/96/55/1065239655.db2.gz GNHASQRJUWPCKU-GFCCVEGCSA-N 0 0 457.340 4.683 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccccc2OC(C)C)C1=O ZINC001436189285 1065239823 /nfs/dbraw/zinc/23/98/23/1065239823.db2.gz HHESBBWOBFFSFF-IBGZPJMESA-N 0 0 459.384 4.779 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001436190248 1065240278 /nfs/dbraw/zinc/24/02/78/1065240278.db2.gz CTMKHFPPSJOPGX-MHLNXUHPSA-N 0 0 450.579 4.742 20 0 JJADRN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001360379509 1065240324 /nfs/dbraw/zinc/24/03/24/1065240324.db2.gz ZJNBQVHCRSZRJN-OALUTQOASA-N 0 0 477.447 4.776 20 0 JJADRN CC(C)OCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001360379359 1065240361 /nfs/dbraw/zinc/24/03/61/1065240361.db2.gz UFMDCJMDPMQAOR-HHHXNRCGSA-N 0 0 480.657 4.977 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cnc3ccsc3c2)C1=O ZINC001436191299 1065240806 /nfs/dbraw/zinc/24/08/06/1065240806.db2.gz ICOUKNUMDICKRU-KRWDZBQOSA-N 0 0 458.381 4.601 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1 ZINC001436191427 1065241325 /nfs/dbraw/zinc/24/13/25/1065241325.db2.gz SFAPRJVWWTXGQQ-INIZCTEOSA-N 0 0 452.395 4.951 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c(C)c1Br ZINC001436191492 1065241329 /nfs/dbraw/zinc/24/13/29/1065241329.db2.gz SMUCYCDJOVUZCX-SFHVURJKSA-N 0 0 451.405 4.530 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4Cl)CC3)cc21 ZINC001436191579 1065241342 /nfs/dbraw/zinc/24/13/42/1065241342.db2.gz OEYOWPDSRVIROV-UHFFFAOYSA-N 0 0 452.864 4.981 20 0 JJADRN COc1ccc(/C=C\C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1OC ZINC001436191616 1065241375 /nfs/dbraw/zinc/24/13/75/1065241375.db2.gz OOBRYAUHYNQFRQ-YWEYNIOJSA-N 0 0 454.876 4.738 20 0 JJADRN O=C(OC[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1 ZINC001436191431 1065241472 /nfs/dbraw/zinc/24/14/72/1065241472.db2.gz SFAPRJVWWTXGQQ-MRXNPFEDSA-N 0 0 452.395 4.951 20 0 JJADRN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC001436191701 1065241538 /nfs/dbraw/zinc/24/15/38/1065241538.db2.gz UFZBYZYNVDPVTJ-FUHWJXTLSA-N 0 0 459.384 4.509 20 0 JJADRN CC(C)OCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001360380431 1065242168 /nfs/dbraw/zinc/24/21/68/1065242168.db2.gz WBMCXZLORWHXKV-FGZHOGPDSA-N 0 0 464.557 4.581 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC001360381850 1065242387 /nfs/dbraw/zinc/24/23/87/1065242387.db2.gz XRAYNIOLMLHLBR-INIZCTEOSA-N 0 0 458.400 4.746 20 0 JJADRN CC(C)OCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001360382220 1065243043 /nfs/dbraw/zinc/24/30/43/1065243043.db2.gz JKLZGEUBDVIMKZ-XMMPIXPASA-N 0 0 463.022 4.723 20 0 JJADRN CC(C)OCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCCCC[C@H]21 ZINC001360382149 1065243058 /nfs/dbraw/zinc/24/30/58/1065243058.db2.gz HITCUCDZMNQJLO-WOJBJXKFSA-N 0 0 459.660 4.634 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001360382329 1065243617 /nfs/dbraw/zinc/24/36/17/1065243617.db2.gz MXTHZVNRXMWUOH-VQIMIIECSA-N 0 0 474.955 4.884 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001436196571 1065244163 /nfs/dbraw/zinc/24/41/63/1065244163.db2.gz VPWQZHLWNIAVQU-KRWDZBQOSA-N 0 0 455.418 4.545 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 ZINC001360382763 1065244571 /nfs/dbraw/zinc/24/45/71/1065244571.db2.gz AUPVQYYKBLDKEL-RTWAWAEBSA-N 0 0 461.651 4.792 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1=O ZINC001436197573 1065244666 /nfs/dbraw/zinc/24/46/66/1065244666.db2.gz WGCDGKXVYRAXDG-LJQANCHMSA-N 0 0 459.359 4.548 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360382791 1065244681 /nfs/dbraw/zinc/24/46/81/1065244681.db2.gz BQLZMGVJMVJZEB-XUVXKRRUSA-N 0 0 490.611 4.950 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@H](C)c3ccccc3)C3CCCC3)CC2)cc1 ZINC001436197235 1065244871 /nfs/dbraw/zinc/24/48/71/1065244871.db2.gz VSPFQSCRWRRQLO-OAQYLSRUSA-N 0 0 454.636 4.928 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001360383117 1065245189 /nfs/dbraw/zinc/24/51/89/1065245189.db2.gz KTXNOIUXSFDZCB-HFZDXXHNSA-N 0 0 491.677 4.562 20 0 JJADRN CC(C)OCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001360383180 1065245288 /nfs/dbraw/zinc/24/52/88/1065245288.db2.gz MEOLPBBVBLMJMW-AVRDEDQJSA-N 0 0 458.534 4.543 20 0 JJADRN CC(C)OCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360383396 1065245721 /nfs/dbraw/zinc/24/57/21/1065245721.db2.gz RUEDJDJMYOHOCX-CTNGQTDRSA-N 0 0 489.636 4.503 20 0 JJADRN Cc1cc(SCC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)cc1Br ZINC001360383720 1065246389 /nfs/dbraw/zinc/24/63/89/1065246389.db2.gz BVUMNBHRCNXVJY-HNNXBMFYSA-N 0 0 457.434 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CCCSc1ccc(Br)cc1 ZINC001360384078 1065246759 /nfs/dbraw/zinc/24/67/59/1065246759.db2.gz MGVVYQBRVDQSRM-MRXNPFEDSA-N 0 0 457.434 4.837 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCC(=O)N[C@@H](C)c3ccccc3)s2)cc1 ZINC001360384190 1065247409 /nfs/dbraw/zinc/24/74/09/1065247409.db2.gz PBGOYDFEKMWZRZ-IRXDYDNUSA-N 0 0 451.592 4.962 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1OC(C)(C)C ZINC001360384698 1065247563 /nfs/dbraw/zinc/24/75/63/1065247563.db2.gz ZYPLEXSIGIAZHM-CQSZACIVSA-N 0 0 454.386 4.675 20 0 JJADRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001436201941 1065247933 /nfs/dbraw/zinc/24/79/33/1065247933.db2.gz WWKZDASNQPSJQI-KBAYOESNSA-N 0 0 450.542 4.809 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)c3csc(-c4cnccn4)n3)c2C(=O)OC(C)(C)C)C1 ZINC001436202531 1065248470 /nfs/dbraw/zinc/24/84/70/1065248470.db2.gz SLGAFAPYKJLPLQ-LBPRGKRZSA-N 0 0 456.593 4.994 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)CC1 ZINC001360385564 1065248482 /nfs/dbraw/zinc/24/84/82/1065248482.db2.gz UKWHOQMRJKUMSM-LJQANCHMSA-N 0 0 458.549 4.523 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001360385521 1065248660 /nfs/dbraw/zinc/24/86/60/1065248660.db2.gz FPNHBXHPGHWYLW-NYTJIUQPSA-N 0 0 497.865 4.773 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)CCNC(=O)Cc3ccccc3)c2C(=O)OC(C)(C)C)C1 ZINC001436202717 1065248997 /nfs/dbraw/zinc/24/89/97/1065248997.db2.gz QRQZFVJGHYKKOP-INIZCTEOSA-N 0 0 456.608 4.516 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)c3csc(S(C)(=O)=O)c3)c2C(=O)OC(C)(C)C)C1 ZINC001436202934 1065249008 /nfs/dbraw/zinc/24/90/08/1065249008.db2.gz TXNKJAFKEQNHSC-NSHDSACASA-N 0 0 455.623 4.546 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(OCCc2ccccc2)nc1 ZINC001360385697 1065249124 /nfs/dbraw/zinc/24/91/24/1065249124.db2.gz WGNGAEAIPQYBJA-UHFFFAOYSA-N 0 0 458.543 4.593 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C ZINC001360385824 1065249190 /nfs/dbraw/zinc/24/91/90/1065249190.db2.gz KZPQOIJMCKYSEA-AWEZNQCLSA-N 0 0 457.413 4.604 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc32)C(C)(C)C)c1 ZINC001436204355 1065249587 /nfs/dbraw/zinc/24/95/87/1065249587.db2.gz ZRKZTJCOUOCLBG-UHFFFAOYSA-N 0 0 451.567 4.511 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360386065 1065249552 /nfs/dbraw/zinc/24/95/52/1065249552.db2.gz PMEUFPOVXBEEJE-GOSISDBHSA-N 0 0 493.052 4.550 20 0 JJADRN CC(C)OCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC001360386071 1065249578 /nfs/dbraw/zinc/24/95/78/1065249578.db2.gz PQSRKTYLTPPVGV-HXUWFJFHSA-N 0 0 488.430 4.899 20 0 JJADRN Cc1ccn(-c2ccc(NC(=O)c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)o3)cc2)n1 ZINC001436204791 1065249957 /nfs/dbraw/zinc/24/99/57/1065249957.db2.gz RLPDOODLWXUKLU-UHFFFAOYSA-N 0 0 451.527 4.536 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360386209 1065250091 /nfs/dbraw/zinc/25/00/91/1065250091.db2.gz USKFEEQZXNITHC-IBGZPJMESA-N 0 0 469.399 4.523 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001360386166 1065250191 /nfs/dbraw/zinc/25/01/91/1065250191.db2.gz SOLZDQZYSDELGZ-MHZLTWQESA-N 0 0 470.658 4.832 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001360386624 1065250454 /nfs/dbraw/zinc/25/04/54/1065250454.db2.gz JVKVTPBQAFMYKY-UHFFFAOYSA-N 0 0 457.619 4.501 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001436206143 1065250475 /nfs/dbraw/zinc/25/04/75/1065250475.db2.gz QGPISRZURNEZRX-HQRMLTQVSA-N 0 0 475.770 4.588 20 0 JJADRN CC(C)OCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1nccs1 ZINC001360386299 1065250603 /nfs/dbraw/zinc/25/06/03/1065250603.db2.gz XFEZYXLCOSFIIP-UHFFFAOYSA-N 0 0 482.423 4.797 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001360386280 1065250611 /nfs/dbraw/zinc/25/06/11/1065250611.db2.gz WTJUNJFOLUGAPU-HSZRJFAPSA-N 0 0 469.674 4.799 20 0 JJADRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1 ZINC001436205383 1065250742 /nfs/dbraw/zinc/25/07/42/1065250742.db2.gz RMZGGWOTQZCBCU-LBPRGKRZSA-N 0 0 450.919 4.727 20 0 JJADRN CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001360386974 1065251126 /nfs/dbraw/zinc/25/11/26/1065251126.db2.gz VVHQZJJMZHAKSX-UHFFFAOYSA-N 0 0 499.457 4.546 20 0 JJADRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1cnc(F)c(Br)c1 ZINC001436207095 1065251482 /nfs/dbraw/zinc/25/14/82/1065251482.db2.gz ZYFPVBUMBWVUCB-UHFFFAOYSA-N 0 0 458.110 4.517 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001436208474 1065251617 /nfs/dbraw/zinc/25/16/17/1065251617.db2.gz CEHCFJDSJIOQOS-UHFFFAOYSA-N 0 0 459.775 4.559 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1C1CC1 ZINC001436208491 1065251715 /nfs/dbraw/zinc/25/17/15/1065251715.db2.gz CQCNRUYOSDCTHB-HTAPYJJXSA-N 0 0 452.599 4.996 20 0 JJADRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 ZINC001360387249 1065251805 /nfs/dbraw/zinc/25/18/05/1065251805.db2.gz FAFRZAKABVDTKX-MOPGFXCFSA-N 0 0 453.633 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cc1coc(-c2cccs2)n1 ZINC001436208950 1065252111 /nfs/dbraw/zinc/25/21/11/1065252111.db2.gz KCLMKUSWVZCJSW-LJQANCHMSA-N 0 0 453.564 4.596 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H](CCc2ccccc2)C(C)C)CC1 ZINC001360387900 1065252485 /nfs/dbraw/zinc/25/24/85/1065252485.db2.gz JKDSXTUKMMCBDR-RCZVLFRGSA-N 0 0 450.623 4.592 20 0 JJADRN O=C(c1cc(Br)ccc1OC(F)F)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001436209763 1065252579 /nfs/dbraw/zinc/25/25/79/1065252579.db2.gz DSSQBNGQMYJKHT-FGTMMUONSA-N 0 0 452.295 4.695 20 0 JJADRN CC(C)OCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001360389006 1065253182 /nfs/dbraw/zinc/25/31/82/1065253182.db2.gz ARVKLNQBHIAGJR-QHCPKHFHSA-N 0 0 479.547 4.771 20 0 JJADRN 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O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001436220152 1065261296 /nfs/dbraw/zinc/26/12/96/1065261296.db2.gz ZOGJITASXCCVKJ-INIZCTEOSA-N 0 0 451.876 4.908 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)OCc1cn(-c2ccccc2Br)nn1 ZINC001436220849 1065261410 /nfs/dbraw/zinc/26/14/10/1065261410.db2.gz CNDIAFFIXWYSQY-UHFFFAOYSA-N 0 0 456.340 4.637 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001360397233 1065261690 /nfs/dbraw/zinc/26/16/90/1065261690.db2.gz HSEHVKOGXBOSNZ-UHFFFAOYSA-N 0 0 474.890 4.551 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001360397667 1065262191 /nfs/dbraw/zinc/26/21/91/1065262191.db2.gz SIVVHLJXHFFKMB-RBUKOAKNSA-N 0 0 483.838 4.934 20 0 JJADRN CC(C)OCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360397643 1065262270 /nfs/dbraw/zinc/26/22/70/1065262270.db2.gz ROIXBPYYPFOFSK-SFHVURJKSA-N 0 0 469.399 4.523 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC001436222282 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ZINC001360409009 1065272128 /nfs/dbraw/zinc/27/21/28/1065272128.db2.gz WPFXSPLWIZINTQ-FUHWJXTLSA-N 0 0 458.521 4.866 20 0 JJADRN O=C(Nc1cccc2c(Cl)nccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001436243687 1065272406 /nfs/dbraw/zinc/27/24/06/1065272406.db2.gz ZMGMVEVZQDPTEA-UHFFFAOYSA-N 0 0 450.347 4.578 20 0 JJADRN O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC001436242736 1065272558 /nfs/dbraw/zinc/27/25/58/1065272558.db2.gz FTQRWIMHJITKSV-OAQYLSRUSA-N 0 0 451.935 4.868 20 0 JJADRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)C1=O ZINC001436244794 1065272912 /nfs/dbraw/zinc/27/29/12/1065272912.db2.gz FAHKPAJJPSHYAF-IBGZPJMESA-N 0 0 459.468 4.991 20 0 JJADRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)C1=O ZINC001436244797 1065273166 /nfs/dbraw/zinc/27/31/66/1065273166.db2.gz FAHKPAJJPSHYAF-LJQANCHMSA-N 0 0 459.468 4.991 20 0 JJADRN COc1ccc(C(=O)N2CCC(C(=O)N3CCSC[C@@H]3C(C)(C)C)CC2)c2ccccc12 ZINC001436246949 1065274021 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CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC3(Cc4ccccc4)CCOCC3)ccc21 ZINC001436254317 1065275578 /nfs/dbraw/zinc/27/55/78/1065275578.db2.gz FBIFPFZIYOMZHH-UHFFFAOYSA-N 0 0 450.579 4.896 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC001436254382 1065275606 /nfs/dbraw/zinc/27/56/06/1065275606.db2.gz FWVUEKQWIJKVMH-XZOQPEGZSA-N 0 0 479.374 4.925 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001360412470 1065275664 /nfs/dbraw/zinc/27/56/64/1065275664.db2.gz RPCGBWAPQVAQAR-UHFFFAOYSA-N 0 0 458.330 4.915 20 0 JJADRN Cc1cc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)ccc1NC(=O)c1cccs1 ZINC001360412727 1065275685 /nfs/dbraw/zinc/27/56/85/1065275685.db2.gz YRSAICKHJDWGAD-UHFFFAOYSA-N 0 0 452.923 4.942 20 0 JJADRN CC(C)OCCN1CCN(c2nnc(COc3ccccc3F)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360413453 1065276418 /nfs/dbraw/zinc/27/64/18/1065276418.db2.gz YXSKMLFUUYFMID-UHFFFAOYSA-N 0 0 473.637 4.540 20 0 JJADRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001360413597 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0 0 482.604 4.905 20 0 JJADRN C[C@H](NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)c1ccc(F)c(Br)c1 ZINC001436429859 1065317393 /nfs/dbraw/zinc/31/73/93/1065317393.db2.gz XDGHRALBVGWZNX-VIFPVBQESA-N 0 0 453.262 4.937 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360437277 1065317892 /nfs/dbraw/zinc/31/78/92/1065317892.db2.gz GSHSVJWJKRLDNS-VYCZESIESA-N 0 0 488.551 4.810 20 0 JJADRN C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCCCC2)CC1 ZINC001360437365 1065318503 /nfs/dbraw/zinc/31/85/03/1065318503.db2.gz IAACSPFABIWVCV-LJQANCHMSA-N 0 0 475.628 4.723 20 0 JJADRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2CCc2cccnc2)CC1 ZINC001360437772 1065319223 /nfs/dbraw/zinc/31/92/23/1065319223.db2.gz PZHZWBJTWNYYAT-IBGZPJMESA-N 0 0 468.596 4.666 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nc(C(C)(C)C(=O)OC)cs3)s2)cc1 ZINC001436438556 1065319461 /nfs/dbraw/zinc/31/94/61/1065319461.db2.gz SDDWMSDLDNRZHU-UHFFFAOYSA-N 0 0 459.593 4.931 20 0 JJADRN Cc1cccc(C(=O)NC/C=C/c2ccc(Br)cc2)c1I ZINC001436440616 1065319527 /nfs/dbraw/zinc/31/95/27/1065319527.db2.gz BEZWPZFACPOUED-HWKANZROSA-N 0 0 456.121 4.805 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)C12CCC2 ZINC001360438557 1065320433 /nfs/dbraw/zinc/32/04/33/1065320433.db2.gz HBYQQGSVZDYEQU-IAGOWNOFSA-N 0 0 451.386 4.659 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360438648 1065320502 /nfs/dbraw/zinc/32/05/02/1065320502.db2.gz CSHQAXNLHPEQPB-RQRDFJDXSA-N 0 0 490.624 4.829 20 0 JJADRN COc1ccc(CCC(=O)NC/C=C/c2ccc(Br)cc2)cc1Br ZINC001436447553 1065321482 /nfs/dbraw/zinc/32/14/82/1065321482.db2.gz YSHUIPAWGRPTRJ-NSCUHMNNSA-N 0 0 453.174 4.982 20 0 JJADRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)COc1ccc(Br)cc1 ZINC001436451211 1065322053 /nfs/dbraw/zinc/32/20/53/1065322053.db2.gz UHYTVZAADRKQRR-FZKQIMNGSA-N 0 0 458.274 4.835 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC001436456437 1065323010 /nfs/dbraw/zinc/32/30/10/1065323010.db2.gz WVYCFMJSIFBXPH-UHFFFAOYSA-N 0 0 451.573 4.722 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1C[C@H]1C(F)(F)C12CCC2 ZINC001360440051 1065322971 /nfs/dbraw/zinc/32/29/71/1065322971.db2.gz NZTZHRMQPSTSRO-UAUFLZKXSA-N 0 0 450.599 4.946 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CC1CCC(F)(F)CC1 ZINC001360439988 1065323014 /nfs/dbraw/zinc/32/30/14/1065323014.db2.gz NCDUVFPWOSWNOX-OXJNMPFZSA-N 0 0 482.597 4.556 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)NCc3c(Cl)cccc3-n3ccnc3)CC2=O)cc1 ZINC001436458211 1065323169 /nfs/dbraw/zinc/32/31/69/1065323169.db2.gz SJKXFGRSSJULCN-IBGZPJMESA-N 0 0 450.970 4.538 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CCC[C@@H]1CCCCO1 ZINC001360440286 1065323414 /nfs/dbraw/zinc/32/34/14/1065323414.db2.gz QABUBLZFDQRJSW-KNQAVFIVSA-N 0 0 474.671 4.886 20 0 JJADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CCC[C@@H]1CCCCO1 ZINC001360440288 1065323607 /nfs/dbraw/zinc/32/36/07/1065323607.db2.gz QABUBLZFDQRJSW-UGKGYDQZSA-N 0 0 474.671 4.886 20 0 JJADRN COc1ccc(C(=O)Oc2ccc(OCC3CC3)c(Cl)c2)c(I)c1 ZINC001436459922 1065323662 /nfs/dbraw/zinc/32/36/62/1065323662.db2.gz XTABBIDNZOAYNR-UHFFFAOYSA-N 0 0 458.679 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001436461214 1065323786 /nfs/dbraw/zinc/32/37/86/1065323786.db2.gz GGPKQYNRIRIOKK-RVSPLBMKSA-N 0 0 471.823 4.752 20 0 JJADRN CC(C)(CNC(=O)c1cnn(CCC(F)(F)F)c1)c1ccc(Br)cc1Cl ZINC001436461576 1065324403 /nfs/dbraw/zinc/32/44/03/1065324403.db2.gz GYRGTGWXCGNPGT-UHFFFAOYSA-N 0 0 452.702 4.959 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CCCC1CCCC1 ZINC001360440658 1065324375 /nfs/dbraw/zinc/32/43/75/1065324375.db2.gz VFMDWCDWBOIVQL-HYHKQLJDSA-N 0 0 454.644 4.584 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF ZINC001360440871 1065324970 /nfs/dbraw/zinc/32/49/70/1065324970.db2.gz YPZCIRHKOTYZPR-JQQADFMDSA-N 0 0 480.407 4.501 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F ZINC001360441220 1065325741 /nfs/dbraw/zinc/32/57/41/1065325741.db2.gz AKRNLCPYFXKQCZ-KXSVPLAASA-N 0 0 479.572 4.787 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)O[C@@H]2CCCc3cc(C(=O)OC)ccc32)CC[C@H]1c1ccc(C)o1 ZINC001436467153 1065325855 /nfs/dbraw/zinc/32/58/55/1065325855.db2.gz LUEYGHVUHFGIEX-PCCBWWKXSA-N 0 0 455.507 4.657 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CCc1cccs1 ZINC001360441870 1065326270 /nfs/dbraw/zinc/32/62/70/1065326270.db2.gz HGQYHAMFEMYEQZ-HYHKQLJDSA-N 0 0 465.648 4.503 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)[C@@H]1CCN(c2ccccc2F)C1 ZINC001436468368 1065326476 /nfs/dbraw/zinc/32/64/76/1065326476.db2.gz ZZKNNVOREMOAEH-CQSZACIVSA-N 0 0 451.767 4.916 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CCC[C@@H]1CCCCO1 ZINC001360442319 1065326867 /nfs/dbraw/zinc/32/68/67/1065326867.db2.gz MCKPEANBNPCHOF-HDCDIIAKSA-N 0 0 481.666 4.548 20 0 JJADRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCC1CCCC1 ZINC001360442010 1065327060 /nfs/dbraw/zinc/32/70/60/1065327060.db2.gz HYUXYMLVHIOXTD-SFHVURJKSA-N 0 0 461.676 4.682 20 0 JJADRN Cc1sc(C2(NC(=O)Cc3ccn(CC(F)(F)F)n3)CCC2)nc1-c1ccccc1F ZINC001436469565 1065327018 /nfs/dbraw/zinc/32/70/18/1065327018.db2.gz GKCFXZHRCOWJKO-UHFFFAOYSA-N 0 0 452.477 4.755 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1cc(C)ccc1I ZINC001436470237 1065327078 /nfs/dbraw/zinc/32/70/78/1065327078.db2.gz WJRWQJSSHPZIEE-SFHVURJKSA-N 0 0 450.272 4.621 20 0 JJADRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC1CCOCC1 ZINC001360442134 1065327087 /nfs/dbraw/zinc/32/70/87/1065327087.db2.gz JPKCLQIBVKHDGC-HYHKQLJDSA-N 0 0 472.680 4.682 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001360442399 1065327563 /nfs/dbraw/zinc/32/75/63/1065327563.db2.gz NKDSUIBEIDPHPQ-GOKJBEJGSA-N 0 0 499.725 4.737 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001360442402 1065327650 /nfs/dbraw/zinc/32/76/50/1065327650.db2.gz NKDSUIBEIDPHPQ-OTASCSKISA-N 0 0 499.725 4.737 20 0 JJADRN O=C(NCC1(C(=O)NCc2ccc(OC(F)F)c(F)c2)CCCC1)OCc1ccccc1 ZINC001436471810 1065327841 /nfs/dbraw/zinc/32/78/41/1065327841.db2.gz IHGDQLYRQWGZBR-UHFFFAOYSA-N 0 0 450.457 4.530 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3F)nc2)C1=O ZINC001436470966 1065327921 /nfs/dbraw/zinc/32/79/21/1065327921.db2.gz HKBOSYDNVXQSCP-IIBYNOLFSA-N 0 0 451.473 4.634 20 0 JJADRN CC(C)c1cnc(NC(=O)c2ccc(I)c(Br)c2)s1 ZINC001360442999 1065328189 /nfs/dbraw/zinc/32/81/89/1065328189.db2.gz BDNMBPYSOZICCQ-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001436474884 1065328544 /nfs/dbraw/zinc/32/85/44/1065328544.db2.gz PJIXNLRANNVMDC-UHFFFAOYSA-N 0 0 456.346 4.910 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3)cn2)C1=O ZINC001436477891 1065329051 /nfs/dbraw/zinc/32/90/51/1065329051.db2.gz XGJCWSKMYKTWDZ-HJPURHCSSA-N 0 0 451.473 4.634 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)/C=C/c2ccccc2OC(F)(F)F)C1=O ZINC001436477922 1065329085 /nfs/dbraw/zinc/32/90/85/1065329085.db2.gz XLNSTRRUNOOCJR-LPDPEWCVSA-N 0 0 450.432 4.606 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3)cn2)C1=O ZINC001436477893 1065329173 /nfs/dbraw/zinc/32/91/73/1065329173.db2.gz XGJCWSKMYKTWDZ-MWTRTKDXSA-N 0 0 451.473 4.634 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)C1=O ZINC001436478095 1065329731 /nfs/dbraw/zinc/32/97/31/1065329731.db2.gz YIUHQUIQFYZEEY-CLOONOSVSA-N 0 0 452.570 4.948 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2cccn2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360443798 1065330075 /nfs/dbraw/zinc/33/00/75/1065330075.db2.gz HAXURDCGPZDAJX-INIZCTEOSA-N 0 0 486.498 4.679 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)n1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001436482088 1065330540 /nfs/dbraw/zinc/33/05/40/1065330540.db2.gz HEUHTOASPBQOSD-OAHLLOKOSA-N 0 0 451.246 4.726 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC001436481211 1065330569 /nfs/dbraw/zinc/33/05/69/1065330569.db2.gz ZJRHFPPOJXROLJ-CYBMUJFWSA-N 0 0 457.235 4.672 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC001436481227 1065330580 /nfs/dbraw/zinc/33/05/80/1065330580.db2.gz ZROAVADONAQQRS-UHFFFAOYSA-N 0 0 459.287 4.615 20 0 JJADRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C ZINC001360444819 1065331886 /nfs/dbraw/zinc/33/18/86/1065331886.db2.gz XTCJHAVARLTSEX-GOSISDBHSA-N 0 0 498.628 4.614 20 0 JJADRN C/C(=C\C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC001436486763 1065331922 /nfs/dbraw/zinc/33/19/22/1065331922.db2.gz MFPBSFYJLNWYOU-NTCAYCPXSA-N 0 0 453.482 4.700 20 0 JJADRN COc1ccc(COC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(OC(F)F)c1 ZINC001360444699 1065332073 /nfs/dbraw/zinc/33/20/73/1065332073.db2.gz GEMAAXHSYCJXKI-SFHVURJKSA-N 0 0 451.466 4.996 20 0 JJADRN O=C(c1cc2c(cc1Cl)NC(=O)C2)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001436485980 1065332048 /nfs/dbraw/zinc/33/20/48/1065332048.db2.gz FXGLOWDKTWYPQV-UHFFFAOYSA-N 0 0 456.727 4.839 20 0 JJADRN Cc1ccc(C2=NO[C@H](C(=O)N(Cc3ccncc3)c3ccc(Br)cc3)C2)cc1 ZINC001436487182 1065332720 /nfs/dbraw/zinc/33/27/20/1065332720.db2.gz KDKQDLODNGZNKD-QFIPXVFZSA-N 0 0 450.336 4.879 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cccs1 ZINC001360444994 1065332668 /nfs/dbraw/zinc/33/26/68/1065332668.db2.gz ZKOBPLFEGIPWHE-CMJOXMDJSA-N 0 0 469.998 4.866 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)C1CCCCC1 ZINC001360445409 1065333141 /nfs/dbraw/zinc/33/31/41/1065333141.db2.gz BPTQHHPUKOSKRJ-QYBDOPJKSA-N 0 0 497.665 4.504 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(C2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360445686 1065333746 /nfs/dbraw/zinc/33/37/46/1065333746.db2.gz HIRYCMWIGPQRLH-OAHLLOKOSA-N 0 0 475.519 4.760 20 0 JJADRN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCOC[C@H](C2CCC2)C1 ZINC001436490345 1065333784 /nfs/dbraw/zinc/33/37/84/1065333784.db2.gz IALFUEWFYHNAIA-CYBMUJFWSA-N 0 0 457.162 4.847 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc2c(cc(C)c(=O)n2C)c1 ZINC001436494252 1065335149 /nfs/dbraw/zinc/33/51/49/1065335149.db2.gz YZUULWZSRNUSAG-UHFFFAOYSA-N 0 0 455.345 4.959 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001360446153 1065335423 /nfs/dbraw/zinc/33/54/23/1065335423.db2.gz PSTJNCNDJHOQCE-SJLPKXTDSA-N 0 0 491.514 4.568 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccs1 ZINC001360446264 1065335607 /nfs/dbraw/zinc/33/56/07/1065335607.db2.gz RIYKAUZXYZSXLG-LAUBAEHRSA-N 0 0 499.637 4.599 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)OCc3cc(Br)cnc3Cl)CCC2=O)cc1C ZINC001436499639 1065335778 /nfs/dbraw/zinc/33/57/78/1065335778.db2.gz KSQHRHYDULWMKC-CQSZACIVSA-N 0 0 451.748 4.601 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC1CCC(F)(F)CC1 ZINC001360447522 1065336791 /nfs/dbraw/zinc/33/67/91/1065336791.db2.gz BKNWXMXCCKTHJB-KNQAVFIVSA-N 0 0 489.611 4.653 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1 ZINC001360446679 1065336857 /nfs/dbraw/zinc/33/68/57/1065336857.db2.gz BWKAPWQKLCDFKC-UHFFFAOYSA-N 0 0 452.576 4.733 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360447441 1065336868 /nfs/dbraw/zinc/33/68/68/1065336868.db2.gz ADHRIMPPZWMMBB-IBGZPJMESA-N 0 0 462.598 4.937 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc(N2CCCOC2=O)cc1 ZINC001436507668 1065337527 /nfs/dbraw/zinc/33/75/27/1065337527.db2.gz BXAJLMMVJXGHDF-RDTXWAMCSA-N 0 0 459.340 4.539 20 0 JJADRN COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc2c1O[C@@H](C)C2 ZINC001436508267 1065337599 /nfs/dbraw/zinc/33/75/99/1065337599.db2.gz UXMJDYAQWCHFDS-INIZCTEOSA-N 0 0 452.551 4.636 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)[C@@H](C[C@H]3CCCO3)C(F)(F)F)ccc21 ZINC001436507430 1065337657 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456.837 4.932 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001360449929 1065340669 /nfs/dbraw/zinc/34/06/69/1065340669.db2.gz CFMNNJUGAUNPJB-WSTZPKSXSA-N 0 0 451.537 4.601 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC001436520306 1065340779 /nfs/dbraw/zinc/34/07/79/1065340779.db2.gz INHGPRRCIYDSPP-LJQANCHMSA-N 0 0 451.405 4.978 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)O ZINC001360450063 1065341225 /nfs/dbraw/zinc/34/12/25/1065341225.db2.gz GHFBOAIQJCOCES-TZIWHRDSSA-N 0 0 471.646 4.751 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(CC(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360450223 1065341237 /nfs/dbraw/zinc/34/12/37/1065341237.db2.gz IYROWMAHPVQQHJ-MRXNPFEDSA-N 0 0 461.536 4.985 20 0 JJADRN Cc1ccc(C(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)s1 ZINC001436521679 1065341463 /nfs/dbraw/zinc/34/14/63/1065341463.db2.gz UHASKYZWRNFENG-XXBNENTESA-N 0 0 453.535 4.726 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(Cc2cccnc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360450492 1065341839 /nfs/dbraw/zinc/34/18/39/1065341839.db2.gz NIXSTGPGUIBUQN-KRWDZBQOSA-N 0 0 452.484 4.923 20 0 JJADRN Cc1c(Br)cnc(NC(=O)[C@@H](C)c2cccs2)c1I ZINC001436523036 1065342044 /nfs/dbraw/zinc/34/20/44/1065342044.db2.gz FPLTYWVMCHWQJN-QMMMGPOBSA-N 0 0 451.127 4.561 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N[C@H]3c4cccc(Br)c4CC3(C)C)c2)no1 ZINC001436522637 1065342296 /nfs/dbraw/zinc/34/22/96/1065342296.db2.gz YCLCKVGUBJXURB-FQEVSTJZSA-N 0 0 456.340 4.773 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(CC2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360450706 1065342327 /nfs/dbraw/zinc/34/23/27/1065342327.db2.gz RAFSREQBLYNCSF-CYBMUJFWSA-N 0 0 452.912 4.882 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 ZINC001360450536 1065342468 /nfs/dbraw/zinc/34/24/68/1065342468.db2.gz NYLHKPKVTZCWKM-NRSPTQNISA-N 0 0 455.603 4.727 20 0 JJADRN Cc1c(Br)cnc(NC(=O)c2coc(C(F)F)c2)c1I ZINC001436524684 1065342934 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UECJBESJAQPLCG-ZRCAFCQKSA-N 0 0 458.396 4.976 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2ccsc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360451274 1065343670 /nfs/dbraw/zinc/34/36/70/1065343670.db2.gz YHBKWEHBNNEVFK-GOSISDBHSA-N 0 0 455.628 4.995 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436526165 1065344139 /nfs/dbraw/zinc/34/41/39/1065344139.db2.gz XURXIBZXNLXUSN-OAQYLSRUSA-N 0 0 459.384 4.641 20 0 JJADRN O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc2c(Br)cccc2cn1 ZINC001436526565 1065344565 /nfs/dbraw/zinc/34/45/65/1065344565.db2.gz ZGINQVLLPHQCEU-UHFFFAOYSA-N 0 0 457.397 4.795 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360451979 1065344740 /nfs/dbraw/zinc/34/47/40/1065344740.db2.gz DMKSTRCDJRKNCB-GOSISDBHSA-N 0 0 476.604 4.735 20 0 JJADRN Cc1c(Br)cnc(NC(=O)c2coc3ccccc32)c1I ZINC001436526580 1065344779 /nfs/dbraw/zinc/34/47/79/1065344779.db2.gz ZOHCLTHHFLLSMW-UHFFFAOYSA-N 0 0 457.065 4.756 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)N(C)Cc2c(F)cccc2F)c1 ZINC001436527094 1065344813 /nfs/dbraw/zinc/34/48/13/1065344813.db2.gz CQNJZNNNVCXIEJ-UHFFFAOYSA-N 0 0 456.514 4.976 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCOCC1 ZINC001360451990 1065344847 /nfs/dbraw/zinc/34/48/47/1065344847.db2.gz DOIGKTHRPRLSLO-CQSZACIVSA-N 0 0 495.418 4.647 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360452116 1065345453 /nfs/dbraw/zinc/34/54/53/1065345453.db2.gz GUQANEYUNCCEDD-SOLBZPMBSA-N 0 0 490.421 4.934 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)Nc3c(-c4ccc(Br)cc4)ncn3C)C2)c1 ZINC001436529056 1065345914 /nfs/dbraw/zinc/34/59/14/1065345914.db2.gz QAFKHANXKNSSMA-LJQANCHMSA-N 0 0 453.340 4.598 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360452422 1065345845 /nfs/dbraw/zinc/34/58/45/1065345845.db2.gz LFEAPSJZKYCWQB-QGZVFWFLSA-N 0 0 470.593 4.923 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)C1CCCCC1 ZINC001360452543 1065345952 /nfs/dbraw/zinc/34/59/52/1065345952.db2.gz NUHQNCHFVAGCJS-DWXRJYCRSA-N 0 0 480.588 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cccc(Oc3ccc(Cl)cc3)c1)CCO2 ZINC001436529598 1065346434 /nfs/dbraw/zinc/34/64/34/1065346434.db2.gz UZXZNPTWTZLYLK-UHFFFAOYSA-N 0 0 458.942 4.594 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360452558 1065346471 /nfs/dbraw/zinc/34/64/71/1065346471.db2.gz NYAWFHFGRGLNNY-FPOVZHCZSA-N 0 0 494.615 5.000 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001360452631 1065346541 /nfs/dbraw/zinc/34/65/41/1065346541.db2.gz PGUHDQXXRZVWLD-DZGCQCFKSA-N 0 0 465.392 4.991 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360452576 1065346668 /nfs/dbraw/zinc/34/66/68/1065346668.db2.gz OFXUVJPJSINJDG-JSGCOSHPSA-N 0 0 484.320 4.796 20 0 JJADRN 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FWLIYQDAGYONCR-HXUWFJFHSA-N 0 0 457.596 4.795 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1OC ZINC001436562558 1065364636 /nfs/dbraw/zinc/36/46/36/1065364636.db2.gz HLGRNXHSKJCDPJ-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)CSC(F)(F)F)c2)c1 ZINC001436563691 1065365295 /nfs/dbraw/zinc/36/52/95/1065365295.db2.gz KWYUPMOTPRMHGG-ZDUSSCGKSA-N 0 0 454.470 4.943 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001360461244 1065365852 /nfs/dbraw/zinc/36/58/52/1065365852.db2.gz QKRZNLSEBNWBKH-JKSUJKDBSA-N 0 0 465.044 4.682 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1CCCCO1 ZINC001360461377 1065366440 /nfs/dbraw/zinc/36/64/40/1065366440.db2.gz UBCXZVIVWDNQMU-HAGHYFMRSA-N 0 0 473.618 4.798 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCSC1 ZINC001360461293 1065366452 /nfs/dbraw/zinc/36/64/52/1065366452.db2.gz RSJNXRKGQQQSGC-KPZWWZAWSA-N 0 0 485.498 4.896 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1COCCO1 ZINC001360461437 1065367296 /nfs/dbraw/zinc/36/72/96/1065367296.db2.gz VBEKKOFGCVRBIQ-GDBMZVCRSA-N 0 0 495.418 4.911 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C ZINC001360461490 1065367678 /nfs/dbraw/zinc/36/76/78/1065367678.db2.gz WBDBOZFJBHHFEQ-MZDMPTQBSA-N 0 0 493.674 4.688 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1 ZINC001360461531 1065367853 /nfs/dbraw/zinc/36/78/53/1065367853.db2.gz WZDRROMIJSOXSC-AWEZNQCLSA-N 0 0 464.433 4.610 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360461505 1065367927 /nfs/dbraw/zinc/36/79/27/1065367927.db2.gz WJIRMTDGCBMHDF-AAEUAGOBSA-N 0 0 472.359 4.719 20 0 JJADRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)c1nc(-c2ccco2)sc1C ZINC001436566846 1065367735 /nfs/dbraw/zinc/36/77/35/1065367735.db2.gz SPHFLGHQCIAYDH-UHFFFAOYSA-N 0 0 451.298 4.522 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436567223 1065368414 /nfs/dbraw/zinc/36/84/14/1065368414.db2.gz KOHPRFHNNNLSHY-JOCHJYFZSA-N 0 0 454.567 4.568 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001436567244 1065368502 /nfs/dbraw/zinc/36/85/02/1065368502.db2.gz VJMIRLXYMWNGFA-KZNAEPCWSA-N 0 0 456.512 4.953 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(=O)N(C)C ZINC001360461563 1065368583 /nfs/dbraw/zinc/36/85/83/1065368583.db2.gz XLTRIBIOMRWPOY-HNNXBMFYSA-N 0 0 480.396 4.823 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(=O)N(C)C ZINC001360461564 1065368608 /nfs/dbraw/zinc/36/86/08/1065368608.db2.gz XLTRIBIOMRWPOY-OAHLLOKOSA-N 0 0 480.396 4.823 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC1CCCCC1 ZINC001360461688 1065369019 /nfs/dbraw/zinc/36/90/19/1065369019.db2.gz ZVWJGZDEAFLXTN-SFHVURJKSA-N 0 0 469.561 4.626 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccc(Cl)cc1 ZINC001436567579 1065369098 /nfs/dbraw/zinc/36/90/98/1065369098.db2.gz WWHWHMVFXAJHGC-QGZVFWFLSA-N 0 0 457.361 4.978 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCCOC2)n1CCCCn1cc(Br)cn1 ZINC001360461720 1065369030 /nfs/dbraw/zinc/36/90/30/1065369030.db2.gz AJILMCMOQGEZQD-IAGOWNOFSA-N 0 0 493.475 4.870 20 0 JJADRN Cc1c(NC(=O)c2ccc(I)c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC001436567276 1065369218 /nfs/dbraw/zinc/36/92/18/1065369218.db2.gz VNRHSXISSCHJNH-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360461818 1065369800 /nfs/dbraw/zinc/36/98/00/1065369800.db2.gz CALFPOOPUXVACP-LPHOPBHVSA-N 0 0 496.637 4.883 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360461820 1065369837 /nfs/dbraw/zinc/36/98/37/1065369837.db2.gz CALFPOOPUXVACP-VQIMIIECSA-N 0 0 496.637 4.883 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001360462032 1065369887 /nfs/dbraw/zinc/36/98/87/1065369887.db2.gz DSHLHXPTVGFYPI-RHSMWYFYSA-N 0 0 479.528 4.629 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436568887 1065370482 /nfs/dbraw/zinc/37/04/82/1065370482.db2.gz YVOWXSOKLLKPCO-SIKLNZKXSA-N 0 0 459.631 4.624 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1 ZINC001360462590 1065371132 /nfs/dbraw/zinc/37/11/32/1065371132.db2.gz KIQVTOMMJJQTCW-OLZOCXBDSA-N 0 0 453.431 4.913 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1 ZINC001360462592 1065371249 /nfs/dbraw/zinc/37/12/49/1065371249.db2.gz KIQVTOMMJJQTCW-STQMWFEESA-N 0 0 453.431 4.913 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001360462768 1065371445 /nfs/dbraw/zinc/37/14/45/1065371445.db2.gz LZGUVMQVYSJYQG-QGZVFWFLSA-N 0 0 458.653 4.788 20 0 JJADRN O=C(NCC1(c2ccccc2Br)CCC1)C1CCC(OC[C@H]2CCCO2)CC1 ZINC001436569827 1065371266 /nfs/dbraw/zinc/37/12/66/1065371266.db2.gz RKWXQXPFWIRGTH-CTWPCTMYSA-N 0 0 450.417 4.741 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360463325 1065372026 /nfs/dbraw/zinc/37/20/26/1065372026.db2.gz RXOLEQOFYORNNR-QZTJIDSGSA-N 0 0 470.643 4.942 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360462941 1065372096 /nfs/dbraw/zinc/37/20/96/1065372096.db2.gz OIPXEVCBDWQBPM-DLBZAZTESA-N 0 0 456.616 4.932 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCCC1 ZINC001360463679 1065372509 /nfs/dbraw/zinc/37/25/09/1065372509.db2.gz WGFDSXQLWZPRKF-GOSISDBHSA-N 0 0 489.686 4.957 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccccc2Br)n1CCCn1ccnn1 ZINC001360463422 1065372542 /nfs/dbraw/zinc/37/25/42/1065372542.db2.gz SUKXHGFBMZNHEG-OAHLLOKOSA-N 0 0 472.416 4.648 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCOC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360464053 1065373139 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20 0 JJADRN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001360464165 1065374025 /nfs/dbraw/zinc/37/40/25/1065374025.db2.gz VEOPXUKVTNXEKB-QHCPKHFHSA-N 0 0 450.485 4.809 20 0 JJADRN C[C@@]1(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)OCCc2sccc21 ZINC001436574528 1065374493 /nfs/dbraw/zinc/37/44/93/1065374493.db2.gz MVYFQEWNJQPVRV-FQEVSTJZSA-N 0 0 453.347 4.840 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)N(C)C ZINC001360465902 1065375537 /nfs/dbraw/zinc/37/55/37/1065375537.db2.gz CUAMRWAAVJPPQV-AWEZNQCLSA-N 0 0 482.437 4.901 20 0 JJADRN Cc1cc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc(N2CCCC2)n1 ZINC001436576049 1065375660 /nfs/dbraw/zinc/37/56/60/1065375660.db2.gz ZRSACDLSISNTBC-UHFFFAOYSA-N 0 0 457.365 4.761 20 0 JJADRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(-c3cncnc3)cc2F)cc1 ZINC001436575876 1065375674 /nfs/dbraw/zinc/37/56/74/1065375674.db2.gz NVMCYCDEOAXICV-INIZCTEOSA-N 0 0 453.539 4.771 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CCOc2ccccc2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360466026 1065375886 /nfs/dbraw/zinc/37/58/86/1065375886.db2.gz GQSUSQTZUZUUIF-FQEVSTJZSA-N 0 0 481.666 4.807 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@H]2CCCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001360465988 1065375983 /nfs/dbraw/zinc/37/59/83/1065375983.db2.gz FRLCHJFYROGUKC-QLVMHMETSA-N 0 0 466.529 4.839 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC001436576799 1065376330 /nfs/dbraw/zinc/37/63/30/1065376330.db2.gz AZPFOVRKMIRYAI-LJQANCHMSA-N 0 0 454.452 4.779 20 0 JJADRN C[C@@H](c1ccsc1)N1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360466109 1065376522 /nfs/dbraw/zinc/37/65/22/1065376522.db2.gz IHCPJCJUZQQDRU-DFBJGRDBSA-N 0 0 459.704 4.852 20 0 JJADRN CCc1nc2ccc(C(=O)O[C@H](C)c3ccc(SCC(=O)N(C)C)cc3)cc2nc1CC ZINC001436576870 1065376920 /nfs/dbraw/zinc/37/69/20/1065376920.db2.gz YHOCZMYLDIPEAK-MRXNPFEDSA-N 0 0 451.592 4.853 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)[C@@H]1OCCc2sccc21 ZINC001436577306 1065376965 /nfs/dbraw/zinc/37/69/65/1065376965.db2.gz BAGYTIKDJVUMBS-MYYSRTQBSA-N 0 0 455.963 4.830 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001360466286 1065377224 /nfs/dbraw/zinc/37/72/24/1065377224.db2.gz KDGQPCGJIFWGHD-VOIUYBSRSA-N 0 0 499.637 4.575 20 0 JJADRN COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)c(OC)n1 ZINC001436578357 1065377456 /nfs/dbraw/zinc/37/74/56/1065377456.db2.gz KBLBIDXGIJAKPJ-UHFFFAOYSA-N 0 0 456.546 4.557 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001360466285 1065377470 /nfs/dbraw/zinc/37/74/70/1065377470.db2.gz KDGQPCGJIFWGHD-UPCLLVRISA-N 0 0 499.637 4.575 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(C(N)=O)c1 ZINC001360466344 1065378087 /nfs/dbraw/zinc/37/80/87/1065378087.db2.gz LHJWMBXXBQGPJF-NQSCKRDGSA-N 0 0 481.666 4.797 20 0 JJADRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001436578807 1065378173 /nfs/dbraw/zinc/37/81/73/1065378173.db2.gz JRDPAVDWQGYBFT-DZUANBCISA-N 0 0 456.970 4.929 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001436579417 1065378226 /nfs/dbraw/zinc/37/82/26/1065378226.db2.gz WFPRXMUJKNWEFE-QUCCMNQESA-N 0 0 453.364 4.564 20 0 JJADRN C[C@H](c1nccs1)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCCCO)CC1 ZINC001360466369 1065378211 /nfs/dbraw/zinc/37/82/11/1065378211.db2.gz CEQBAVXUDLUVJI-QGZVFWFLSA-N 0 0 493.052 4.630 20 0 JJADRN O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001436579529 1065378289 /nfs/dbraw/zinc/37/82/89/1065378289.db2.gz OZASXMFXZHBTQN-JOCHJYFZSA-N 0 0 451.567 4.714 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC001436580188 1065378649 /nfs/dbraw/zinc/37/86/49/1065378649.db2.gz BAEUCACYYJKHFT-RXVVDRJESA-N 0 0 457.361 4.525 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001436580753 1065379362 /nfs/dbraw/zinc/37/93/62/1065379362.db2.gz QTBQKZLCKJZXHF-RIFZZMRRSA-N 0 0 453.986 4.552 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360466639 1065379347 /nfs/dbraw/zinc/37/93/47/1065379347.db2.gz NPEDKQHNCCJNBI-QUCCMNQESA-N 0 0 482.654 4.922 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cs1 ZINC001436581285 1065380182 /nfs/dbraw/zinc/38/01/82/1065380182.db2.gz YTBZACDZJJHNTM-SJORKVTESA-N 0 0 451.386 4.611 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)OC(C)(C)C ZINC001360467140 1065380932 /nfs/dbraw/zinc/38/09/32/1065380932.db2.gz SWMANRUEOHEMTQ-INIZCTEOSA-N 0 0 475.590 4.780 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F ZINC001436582270 1065381159 /nfs/dbraw/zinc/38/11/59/1065381159.db2.gz DPZAYPQGZXKKSL-HNNXBMFYSA-N 0 0 455.502 4.584 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(C)(C)O)c1 ZINC001360467510 1065381768 /nfs/dbraw/zinc/38/17/68/1065381768.db2.gz WQQZOLIAGOPSFU-KRWDZBQOSA-N 0 0 495.674 4.804 20 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CCc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)NC(=O)OC(C)(C)C ZINC001436584780 1065383346 /nfs/dbraw/zinc/38/33/46/1065383346.db2.gz ZATDRLOVBIELFD-HSZRJFAPSA-N 0 0 450.583 4.831 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(F)cc1F)c1ccccc1 ZINC001360468648 1065383830 /nfs/dbraw/zinc/38/38/30/1065383830.db2.gz NFQLQZSRVFXTGE-QHCPKHFHSA-N 0 0 452.501 4.514 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)NCc1ccc(C2CC2)cc1F ZINC001436584875 1065384104 /nfs/dbraw/zinc/38/41/04/1065384104.db2.gz QQDUUHYSGYCTTN-UHFFFAOYSA-N 0 0 459.686 4.900 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]1c1cccc(C)c1 ZINC001436586607 1065384744 /nfs/dbraw/zinc/38/47/44/1065384744.db2.gz YBBBEYRFGJGARZ-KNQAVFIVSA-N 0 0 456.468 4.748 20 0 JJADRN CC(C)c1cc(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)n(-c2ccccc2)n1 ZINC001436587906 1065385387 /nfs/dbraw/zinc/38/53/87/1065385387.db2.gz KSGNXAWRTRFJPA-RUZDIDTESA-N 0 0 450.514 4.685 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1Cl ZINC001436589827 1065386619 /nfs/dbraw/zinc/38/66/19/1065386619.db2.gz RJPDOWHSYBFYJW-GASCZTMLSA-N 0 0 454.942 4.564 20 0 JJADRN Cn1cc(-c2ccnc(NC(=O)[C@H](Oc3cccc(Cl)c3Cl)c3ccccc3)n2)cn1 ZINC001436589747 1065386783 /nfs/dbraw/zinc/38/67/83/1065386783.db2.gz UTNNGTFWNCQDCN-HXUWFJFHSA-N 0 0 454.317 4.943 20 0 JJADRN Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)nn1C1CCCCC1 ZINC001436590783 1065387435 /nfs/dbraw/zinc/38/74/35/1065387435.db2.gz SZMUKWVTDXMLQT-UHFFFAOYSA-N 0 0 453.008 4.679 20 0 JJADRN CC[C@]1(CNC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)OCCc2ccccc21 ZINC001436591151 1065387452 /nfs/dbraw/zinc/38/74/52/1065387452.db2.gz BYABTTNKIUNMMM-RUZDIDTESA-N 0 0 452.576 4.744 20 0 JJADRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360470309 1065388443 /nfs/dbraw/zinc/38/84/43/1065388443.db2.gz SMQFWMYOHDWZLN-CQSZACIVSA-N 0 0 455.274 4.936 20 0 JJADRN COc1ccc(C(=O)O[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001436593967 1065388858 /nfs/dbraw/zinc/38/88/58/1065388858.db2.gz JLKGVFYDIWMGHS-SFHVURJKSA-N 0 0 451.544 4.755 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC001436593684 1065388906 /nfs/dbraw/zinc/38/89/06/1065388906.db2.gz APBMYICHHLTAJH-APTRMMRNSA-N 0 0 457.014 4.999 20 0 JJADRN O=C(c1ccccc1)N1CC[C@@H](C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)C1 ZINC001360470569 1065389097 /nfs/dbraw/zinc/38/90/97/1065389097.db2.gz WKVLNAWBJPBCIH-OAHLLOKOSA-N 0 0 455.274 4.507 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC001436600002 1065392666 /nfs/dbraw/zinc/39/26/66/1065392666.db2.gz UXMNPWSTQVPMEJ-UHFFFAOYSA-N 0 0 451.548 4.609 20 0 JJADRN COC[C@@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1cccc(Cl)c1 ZINC001436600108 1065392774 /nfs/dbraw/zinc/39/27/74/1065392774.db2.gz RHQSDMRTFZONRH-LJQANCHMSA-N 0 0 459.015 4.682 20 0 JJADRN O=C(COc1ccccc1Br)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001360473251 1065393013 /nfs/dbraw/zinc/39/30/13/1065393013.db2.gz SEYILHIHSDOOEY-MUUNZHRXSA-N 0 0 458.377 4.916 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1NC(=O)c1ccco1 ZINC001436600394 1065393381 /nfs/dbraw/zinc/39/33/81/1065393381.db2.gz OIOIHHKFWTWCOA-HXUWFJFHSA-N 0 0 453.539 4.504 20 0 JJADRN C[C@H](CCOCc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001436601555 1065394107 /nfs/dbraw/zinc/39/41/07/1065394107.db2.gz XMJAXNKPYLPYBC-GOSISDBHSA-N 0 0 450.000 4.538 20 0 JJADRN O=C(NCCNC(=O)c1cc(-c2ccccc2)ccc1Cl)c1cccc(Br)c1 ZINC001360474929 1065394009 /nfs/dbraw/zinc/39/40/09/1065394009.db2.gz BNZRQEWRGKMETG-UHFFFAOYSA-N 0 0 457.755 4.929 20 0 JJADRN CC(C)(CC(=O)NCCNC(=O)c1cccc(Br)c1)Cc1ccc(Cl)cc1 ZINC001360474980 1065394179 /nfs/dbraw/zinc/39/41/79/1065394179.db2.gz CPYKAKFHGMZDOL-UHFFFAOYSA-N 0 0 451.792 4.608 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)N2CCC(OC3CCCCC3)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001436604821 1065395165 /nfs/dbraw/zinc/39/51/65/1065395165.db2.gz DSGGOBWAAKLBDX-GCJKJVERSA-N 0 0 453.410 4.853 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1 ZINC001436604045 1065395261 /nfs/dbraw/zinc/39/52/61/1065395261.db2.gz RWSZEFPTNLDFJS-UHFFFAOYSA-N 0 0 451.169 4.949 20 0 JJADRN O=C(OCc1cn(CCc2ccccc2)nn1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001436603575 1065395341 /nfs/dbraw/zinc/39/53/41/1065395341.db2.gz JRWLYVCOLWMXTE-UHFFFAOYSA-N 0 0 452.436 4.959 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C[C@@H]1c1ccccc1 ZINC001436605056 1065395897 /nfs/dbraw/zinc/39/58/97/1065395897.db2.gz FRLZTEAEWNYEPA-NHCUHLMSSA-N 0 0 450.560 4.626 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C[C@@H]1c1ccccc1 ZINC001436606372 1065396007 /nfs/dbraw/zinc/39/60/07/1065396007.db2.gz PNEVNXWGCBPHDD-NHCUHLMSSA-N 0 0 481.346 4.665 20 0 JJADRN CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608601 1065396801 /nfs/dbraw/zinc/39/68/01/1065396801.db2.gz HZGMMXUCLXIUOH-FNZWTVRRSA-N 0 0 459.631 4.773 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)c1 ZINC001360479745 1065397451 /nfs/dbraw/zinc/39/74/51/1065397451.db2.gz CPGAQUSUPTZYQT-UHFFFAOYSA-N 0 0 454.995 4.526 20 0 JJADRN O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(Br)nc(Br)c1 ZINC001360479702 1065397592 /nfs/dbraw/zinc/39/75/92/1065397592.db2.gz BGVDNDMAUDQUGA-QGZVFWFLSA-N 0 0 454.162 4.504 20 0 JJADRN CN(C)Cc1csc(NC(=O)CCCCCc2ccc(I)cc2)n1 ZINC001436611671 1065397656 /nfs/dbraw/zinc/39/76/56/1065397656.db2.gz XVTSWFPVIGEXIF-UHFFFAOYSA-N 0 0 457.381 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)C1 ZINC001436612747 1065397678 /nfs/dbraw/zinc/39/76/78/1065397678.db2.gz MDCSVPRGGWSYDV-GCJKJVERSA-N 0 0 453.505 4.540 20 0 JJADRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC001436612370 1065397692 /nfs/dbraw/zinc/39/76/92/1065397692.db2.gz LOYNYIJVMKYTHN-WIYYLYMNSA-N 0 0 459.428 4.518 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOc3cc(F)ccc32)cc1)c1ccc(Br)cc1 ZINC001360480278 1065399019 /nfs/dbraw/zinc/39/90/19/1065399019.db2.gz UEZVVRVCNBFZFC-UHFFFAOYSA-N 0 0 455.283 4.880 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC001360480251 1065399181 /nfs/dbraw/zinc/39/91/81/1065399181.db2.gz SNVCFGBVALUEOD-OYHNWAKOSA-N 0 0 451.224 4.568 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC001360480250 1065399207 /nfs/dbraw/zinc/39/92/07/1065399207.db2.gz SNVCFGBVALUEOD-NYHFZMIOSA-N 0 0 451.224 4.568 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)CCC2 ZINC001436616792 1065399117 /nfs/dbraw/zinc/39/91/17/1065399117.db2.gz HVXNACYZHZDBCT-UHFFFAOYSA-N 0 0 455.407 4.972 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001436616532 1065399164 /nfs/dbraw/zinc/39/91/64/1065399164.db2.gz CAWPLRWPMDKXCV-MEBBXXQBSA-N 0 0 477.751 4.665 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCc3c(F)ccc(Cl)c32)cc1 ZINC001436615488 1065399177 /nfs/dbraw/zinc/39/91/77/1065399177.db2.gz GANCQWGDZMSTSC-OAHLLOKOSA-N 0 0 450.963 4.635 20 0 JJADRN Cc1cc(CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)ccc1Br ZINC001436622110 1065401335 /nfs/dbraw/zinc/40/13/35/1065401335.db2.gz SZUAQNXYFKQARX-PGRDOPGGSA-N 0 0 451.405 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](c2ccccc2)C1 ZINC001436621217 1065401358 /nfs/dbraw/zinc/40/13/58/1065401358.db2.gz CBNJEDCWYGDLBZ-SMIHKQSGSA-N 0 0 450.579 4.597 20 0 JJADRN Cc1ccc2ncc(COC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2c1 ZINC001436622284 1065401366 /nfs/dbraw/zinc/40/13/66/1065401366.db2.gz OBBIHXOQFVVBOS-UHFFFAOYSA-N 0 0 458.967 4.728 20 0 JJADRN COc1ccc(SCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 ZINC001436623303 1065402160 /nfs/dbraw/zinc/40/21/60/1065402160.db2.gz WYRMDYHYLDLRCS-JOCHJYFZSA-N 0 0 456.608 4.998 20 0 JJADRN CCCOc1nc(C)ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436627467 1065404677 /nfs/dbraw/zinc/40/46/77/1065404677.db2.gz OVYBLXLFRWXLBT-RBBKRZOGSA-N 0 0 471.573 4.841 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOc3c(F)cccc32)CC[C@H]1c1ccc(F)cc1 ZINC001436626784 1065404781 /nfs/dbraw/zinc/40/47/81/1065404781.db2.gz HBDUGGOMSJIHFN-CZTZKLFOSA-N 0 0 472.532 4.740 20 0 JJADRN C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC[C@H](F)C1 ZINC001360484923 1065404780 /nfs/dbraw/zinc/40/47/80/1065404780.db2.gz DZVASWACTAYJCT-VKJFTORMSA-N 0 0 459.566 4.651 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 ZINC001436628126 1065405476 /nfs/dbraw/zinc/40/54/76/1065405476.db2.gz FICTXEYZZKDHCG-KNQAVFIVSA-N 0 0 453.583 4.885 20 0 JJADRN COc1nc(C(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 ZINC001436628128 1065405497 /nfs/dbraw/zinc/40/54/97/1065405497.db2.gz FICTXEYZZKDHCG-UGKGYDQZSA-N 0 0 453.583 4.885 20 0 JJADRN Cc1c(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC001360486481 1065406511 /nfs/dbraw/zinc/40/65/11/1065406511.db2.gz UYAVRBXKXZEAHY-VWLOTQADSA-N 0 0 455.562 4.780 20 0 JJADRN CC(C)c1noc2ncc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001436629737 1065407161 /nfs/dbraw/zinc/40/71/61/1065407161.db2.gz SGQDEBPHPUHPFB-YLJYHZDGSA-N 0 0 456.587 4.988 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)cc1 ZINC001360488364 1065407273 /nfs/dbraw/zinc/40/72/73/1065407273.db2.gz DQFIVSAKNAHIIX-UHFFFAOYSA-N 0 0 450.901 4.958 20 0 JJADRN O=C(CCOCC(F)(F)C(F)(F)F)N1CCCc2cc(Cl)cc(Br)c21 ZINC001436633397 1065408947 /nfs/dbraw/zinc/40/89/47/1065408947.db2.gz CEFAKFLFWPJNFZ-UHFFFAOYSA-N 0 0 450.629 4.986 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1OC ZINC000022238275 1065409788 /nfs/dbraw/zinc/40/97/88/1065409788.db2.gz PCIZNTUKWBLMGF-UHFFFAOYSA-N 0 0 454.390 4.551 20 0 JJADRN COc1cc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc(Cl)n1 ZINC001436633674 1065409816 /nfs/dbraw/zinc/40/98/16/1065409816.db2.gz DAVBMTNJERCFNO-UHFFFAOYSA-N 0 0 458.742 4.878 20 0 JJADRN Cc1cc(Br)c(COC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1Cl ZINC001436633647 1065409860 /nfs/dbraw/zinc/40/98/60/1065409860.db2.gz JMTYJSBEFHCSCN-UHFFFAOYSA-N 0 0 458.139 4.951 20 0 JJADRN Cc1cc(C)c(C(=O)NCCc2cccc(Br)c2)cc1I ZINC001436637723 1065410423 /nfs/dbraw/zinc/41/04/23/1065410423.db2.gz KEPDMSQWVOFFQU-UHFFFAOYSA-N 0 0 458.137 4.643 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)c2cn3ccc(Br)cc3n2)cc1 ZINC001360494498 1065411503 /nfs/dbraw/zinc/41/15/03/1065411503.db2.gz ZGFFWFJOTSLSHR-UHFFFAOYSA-N 0 0 450.336 4.995 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)CC2)c1 ZINC001436638009 1065411578 /nfs/dbraw/zinc/41/15/78/1065411578.db2.gz LZKGFSPNMVBKHF-PKTZIBPZSA-N 0 0 451.567 4.912 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360497176 1065414123 /nfs/dbraw/zinc/41/41/23/1065414123.db2.gz FXRWARBLYSLSQH-DLBZAZTESA-N 0 0 489.592 4.579 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CO)CC1 ZINC001360497522 1065414687 /nfs/dbraw/zinc/41/46/87/1065414687.db2.gz INIDNGBEVIMYES-HNNXBMFYSA-N 0 0 493.446 4.996 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001360497980 1065415661 /nfs/dbraw/zinc/41/56/61/1065415661.db2.gz NAOXJHYYLBLWDF-NRFANRHFSA-N 0 0 467.683 4.680 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001360497551 1065415693 /nfs/dbraw/zinc/41/56/93/1065415693.db2.gz JEKJTSDIJOZWJX-YRNRMSPPSA-N 0 0 476.021 4.596 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](C)Cc1cccs1 ZINC001360498824 1065418076 /nfs/dbraw/zinc/41/80/76/1065418076.db2.gz WIBPVJYFWHTYEI-GOSISDBHSA-N 0 0 472.058 4.958 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001360499092 1065418821 /nfs/dbraw/zinc/41/88/21/1065418821.db2.gz ACXJQJRTXJLSDS-UYAOXDASSA-N 0 0 489.686 4.606 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001360499065 1065419008 /nfs/dbraw/zinc/41/90/08/1065419008.db2.gz ZIZRKRRUUAGPNC-PEBXRYMYSA-N 0 0 478.449 4.894 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001360499235 1065419795 /nfs/dbraw/zinc/41/97/95/1065419795.db2.gz COFDWGUXUFRLAC-VAMGGRTRSA-N 0 0 489.686 4.558 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F ZINC001360499106 1065419917 /nfs/dbraw/zinc/41/99/17/1065419917.db2.gz AIPOOHICWVIKCB-WMZOPIPTSA-N 0 0 499.628 4.618 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360499094 1065419932 /nfs/dbraw/zinc/41/99/32/1065419932.db2.gz ADACZXWFKYEHGY-SFHVURJKSA-N 0 0 486.085 4.945 20 0 JJADRN O=C(COc1cccc(Cl)c1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001360499727 1065420486 /nfs/dbraw/zinc/42/04/86/1065420486.db2.gz GIKGOQQWZKGVMV-UHFFFAOYSA-N 0 0 451.697 4.707 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001360499605 1065420596 /nfs/dbraw/zinc/42/05/96/1065420596.db2.gz GQFDESQPWUYIOB-ROUUACIJSA-N 0 0 488.057 4.841 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)Cc2ccc(Br)c(Br)c2)c1 ZINC001436665075 1065420828 /nfs/dbraw/zinc/42/08/28/1065420828.db2.gz BXONLNWPVNCRTD-NSHDSACASA-N 0 0 459.153 4.649 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001360500215 1065421468 /nfs/dbraw/zinc/42/14/68/1065421468.db2.gz LAGADUZOKGNMAM-AUMHUTNHSA-N 0 0 453.637 4.587 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)c2cc(F)cc3cccnc32)cc1Cl)c1cnccn1 ZINC001360501050 1065424220 /nfs/dbraw/zinc/42/42/20/1065424220.db2.gz SWASILJEJJTMFL-UHFFFAOYSA-N 0 0 456.264 4.975 20 0 JJADRN Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001436692779 1065424282 /nfs/dbraw/zinc/42/42/82/1065424282.db2.gz SXFBDUHKKQDCBN-UHFFFAOYSA-N 0 0 450.326 4.803 20 0 JJADRN CC[C@](CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)(C(=O)OC)c1ccccc1 ZINC001436695312 1065424299 /nfs/dbraw/zinc/42/42/99/1065424299.db2.gz MUXHBCMAGQNMTE-MUUNZHRXSA-N 0 0 453.542 4.790 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCc1ccc(SC)cc1 ZINC001545900483 1065424366 /nfs/dbraw/zinc/42/43/66/1065424366.db2.gz PBTFIJXVZHMINZ-NRFANRHFSA-N 0 0 487.714 4.945 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001360501348 1065424940 /nfs/dbraw/zinc/42/49/40/1065424940.db2.gz RZTDIKOMKMVHKU-SFHVURJKSA-N 0 0 458.676 4.506 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001360501277 1065425022 /nfs/dbraw/zinc/42/50/22/1065425022.db2.gz RFBPSFCJLJAZST-WMLDXEAASA-N 0 0 456.559 4.638 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CCCCO1 ZINC001360501352 1065425130 /nfs/dbraw/zinc/42/51/30/1065425130.db2.gz SBKWAGNHTVUVLL-OALUTQOASA-N 0 0 458.603 4.942 20 0 JJADRN Cc1c(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cccc1S(=O)(=O)N(C)C ZINC001436708015 1065426092 /nfs/dbraw/zinc/42/60/92/1065426092.db2.gz WUHXDNRKDPTOAJ-QFIPXVFZSA-N 0 0 458.580 4.857 20 0 JJADRN CCNC(=O)c1ccc(OC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1 ZINC001360501756 1065426669 /nfs/dbraw/zinc/42/66/69/1065426669.db2.gz XIAGHQTYGHRVMU-UHFFFAOYSA-N 0 0 455.514 4.825 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCC[C@H](c4cccc(Cl)c4)C3)CC2=O)c(OC)c1 ZINC001436712249 1065426777 /nfs/dbraw/zinc/42/67/77/1065426777.db2.gz AVUQVAXIPGBFIE-NSHGMRRFSA-N 0 0 456.970 4.553 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360502276 1065427395 /nfs/dbraw/zinc/42/73/95/1065427395.db2.gz ZHELXQFMMRUHST-MJGOQNOKSA-N 0 0 459.660 4.617 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1ccnc(-c2ccccc2)n1 ZINC001360502456 1065428372 /nfs/dbraw/zinc/42/83/72/1065428372.db2.gz UMBUGVRKYGIOIU-UHFFFAOYSA-N 0 0 450.542 4.735 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C ZINC001360502675 1065428968 /nfs/dbraw/zinc/42/89/68/1065428968.db2.gz AIYLBIYKWUCAHM-GOSISDBHSA-N 0 0 469.630 4.617 20 0 JJADRN CC(C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001360503433 1065431467 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MRKGEQZGDIOVGV-LJQANCHMSA-N 0 0 465.667 4.915 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)Nc1c(F)cc(I)cc1F ZINC001436739616 1065434812 /nfs/dbraw/zinc/43/48/12/1065434812.db2.gz OHMRHCVFKNOAJQ-UHFFFAOYSA-N 0 0 458.029 4.894 20 0 JJADRN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCCOC1 ZINC001360504327 1065434936 /nfs/dbraw/zinc/43/49/36/1065434936.db2.gz SUMFDDGANAPMIG-INIZCTEOSA-N 0 0 486.414 4.546 20 0 JJADRN CSc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)ccc1Cl ZINC001436751244 1065435698 /nfs/dbraw/zinc/43/56/98/1065435698.db2.gz CXDNKCHBWLXZJO-GJZGRUSLSA-N 0 0 453.029 4.981 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CCCC[C@H]3c3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001436749709 1065435762 /nfs/dbraw/zinc/43/57/62/1065435762.db2.gz FVDUOKIWLKPRIL-JZWVFAODSA-N 0 0 452.599 4.821 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3c3ccccc3)cc2)CC1 ZINC001436755710 1065436436 /nfs/dbraw/zinc/43/64/36/1065436436.db2.gz RMSFDFYVNRVKPB-LOSJGSFVSA-N 0 0 454.636 4.906 20 0 JJADRN CSc1cc(NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)ccc1Cl ZINC001436752646 1065436493 /nfs/dbraw/zinc/43/64/93/1065436493.db2.gz HYNURJGSXYSEIO-UHFFFAOYSA-N 0 0 456.992 4.821 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001436757326 1065437422 /nfs/dbraw/zinc/43/74/22/1065437422.db2.gz YVABDYZHAHOOMT-BJLQDIEVSA-N 0 0 461.389 4.774 20 0 JJADRN CSc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1Cl ZINC001436755992 1065437593 /nfs/dbraw/zinc/43/75/93/1065437593.db2.gz SHQYASBCOMRNSD-UHFFFAOYSA-N 0 0 453.029 4.718 20 0 JJADRN COCC[C@@H](C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001436757221 1065437610 /nfs/dbraw/zinc/43/76/10/1065437610.db2.gz YGCHHWXRBQRBAO-QGZVFWFLSA-N 0 0 456.384 4.633 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001436771640 1065438197 /nfs/dbraw/zinc/43/81/97/1065438197.db2.gz NEKBCMRVUDJDKZ-UHFFFAOYSA-N 0 0 451.474 4.760 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)NC[C@@H]3CCCC(C)(C)C3)cc2OC)cc1 ZINC001436778518 1065439950 /nfs/dbraw/zinc/43/99/50/1065439950.db2.gz CWXAEOAMWFEDFQ-GOSISDBHSA-N 0 0 454.567 4.668 20 0 JJADRN Cc1cc(-c2cc(C(=O)Nc3cccc(C)c3S(C)(=O)=O)c3c(C)noc3n2)c(C)s1 ZINC001436782520 1065440833 /nfs/dbraw/zinc/44/08/33/1065440833.db2.gz VWSFPVAGABZZAH-UHFFFAOYSA-N 0 0 455.561 4.841 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)C(F)(F)c1ncccc1Br ZINC001436782145 1065440855 /nfs/dbraw/zinc/44/08/55/1065440855.db2.gz HJSSRWMAPGFYHE-UHFFFAOYSA-N 0 0 454.496 4.668 20 0 JJADRN COc1cc2c(c(OC)c1)N(C(=O)c1cc(Br)nn1-c1ccc(C)cc1)CCC2 ZINC001436782797 1065440864 /nfs/dbraw/zinc/44/08/64/1065440864.db2.gz JKYBALIJXYQDHJ-UHFFFAOYSA-N 0 0 456.340 4.553 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)[C@@H]1CC(=O)c2ccccc21)OCc1ccccc1 ZINC001436795295 1065441890 /nfs/dbraw/zinc/44/18/90/1065441890.db2.gz AOOZRUOERGKKDR-JOCHJYFZSA-N 0 0 452.551 4.622 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)NCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001436791837 1065441908 /nfs/dbraw/zinc/44/19/08/1065441908.db2.gz SPFJONMJQOOAGU-GJZGRUSLSA-N 0 0 451.792 4.642 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001436804182 1065442646 /nfs/dbraw/zinc/44/26/46/1065442646.db2.gz NCCQUUXMMUJQPB-HPFXQQBRSA-N 0 0 453.396 4.771 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)Oc1ccc(Br)c(C(F)(F)F)c1 ZINC001436804459 1065443621 /nfs/dbraw/zinc/44/36/21/1065443621.db2.gz GCYKCWKDFTVCKP-MRXNPFEDSA-N 0 0 458.230 4.957 20 0 JJADRN CS[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)C1 ZINC001360506262 1065443861 /nfs/dbraw/zinc/44/38/61/1065443861.db2.gz AXRMMUIBJUSGMB-KBPBESRZSA-N 0 0 456.992 4.684 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C(F)(F)F ZINC001436806712 1065444298 /nfs/dbraw/zinc/44/42/98/1065444298.db2.gz RDDINSWIAWMSMS-ORAYPTAESA-N 0 0 457.855 4.722 20 0 JJADRN CCS(=O)(=O)Cc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)cc1 ZINC001436807480 1065444413 /nfs/dbraw/zinc/44/44/13/1065444413.db2.gz IBXVCEUHUHSBOQ-UHFFFAOYSA-N 0 0 455.967 4.861 20 0 JJADRN Cc1cc(C2(NC(=O)CCS(=O)(=O)C3CCCC3)CCCCC2)ccc1Br ZINC001436806787 1065444431 /nfs/dbraw/zinc/44/44/31/1065444431.db2.gz BKOJYZAECPFMQV-UHFFFAOYSA-N 0 0 456.446 4.781 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)[C@H]1CCC[C@@H](C)C1 ZINC001436807105 1065444446 /nfs/dbraw/zinc/44/44/46/1065444446.db2.gz RVEVQNMVZCYJEX-JMVFIXPQSA-N 0 0 451.405 4.881 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)C1 ZINC001360506714 1065444702 /nfs/dbraw/zinc/44/47/02/1065444702.db2.gz IATGPQIJURZYMD-KDURUIRLSA-N 0 0 458.599 4.545 20 0 JJADRN C[C@H](C(=O)Oc1ccc(Br)c(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001436809778 1065445090 /nfs/dbraw/zinc/44/50/90/1065445090.db2.gz YIMJSDWGKBGFQD-JTQLQIEISA-N 0 0 451.260 4.581 20 0 JJADRN CC[C@H]1CN(C(=O)c2cc(Cl)c(Cl)n2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506884 1065445364 /nfs/dbraw/zinc/44/53/64/1065445364.db2.gz JPOMKFDCVRWHSY-IRXDYDNUSA-N 0 0 452.382 4.984 20 0 JJADRN O=C(c1ccc(Br)cc1)N1CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC001360507083 1065445448 /nfs/dbraw/zinc/44/54/48/1065445448.db2.gz MKSBQBDSKFSMNG-NRFANRHFSA-N 0 0 459.359 4.632 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccc2cccnc2n1)OCc1ccccc1 ZINC001436810643 1065446147 /nfs/dbraw/zinc/44/61/47/1065446147.db2.gz WGMQKGOCBAASOD-UHFFFAOYSA-N 0 0 450.539 4.509 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1ccc(Oc2ccccc2F)nc1)C(F)(F)F ZINC001436819139 1065447589 /nfs/dbraw/zinc/44/75/89/1065447589.db2.gz QTORBIWBAOTQNW-INIZCTEOSA-N 0 0 457.424 4.589 20 0 JJADRN CC[C@H](CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)CC(F)(F)F ZINC001436819173 1065447678 /nfs/dbraw/zinc/44/76/78/1065447678.db2.gz SKGSLXVYJLDJIW-HOTGVXAUSA-N 0 0 454.514 4.535 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc1Oc1ccncc1 ZINC001436829640 1065449294 /nfs/dbraw/zinc/44/92/94/1065449294.db2.gz ZLCNGKPTWKTOCE-SFHVURJKSA-N 0 0 453.461 4.758 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1OC ZINC001436841630 1065450239 /nfs/dbraw/zinc/45/02/39/1065450239.db2.gz DYMAWTDQZOYEOR-MAUKXSAKSA-N 0 0 452.979 4.609 20 0 JJADRN CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1Cl ZINC001436839665 1065450463 /nfs/dbraw/zinc/45/04/63/1065450463.db2.gz JRXIEWPFKBAKGD-UHFFFAOYSA-N 0 0 452.979 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC001436845156 1065451470 /nfs/dbraw/zinc/45/14/70/1065451470.db2.gz LTJHJPBGLFFECB-GDAAHCPNSA-N 0 0 454.489 4.547 20 0 JJADRN O=C(COc1ccc(I)cc1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001436849624 1065452325 /nfs/dbraw/zinc/45/23/25/1065452325.db2.gz ARRZYNQFWGXETP-WMLDXEAASA-N 0 0 455.723 4.776 20 0 JJADRN O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001436860761 1065454443 /nfs/dbraw/zinc/45/44/43/1065454443.db2.gz UHHJPEHJRGBVLU-WBVHZDCISA-N 0 0 453.938 4.868 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cccc(C)c2)n1C[C@@](C)(OC)C1CC1 ZINC001545902783 1065454916 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JJADRN Cc1cc(C)c(N2C[C@H](C(=O)OCc3ncc(Br)cc3Cl)CC2=O)c(C)c1 ZINC001437254147 1065526099 /nfs/dbraw/zinc/52/60/99/1065526099.db2.gz DRKXMHCWTXYMIQ-CQSZACIVSA-N 0 0 451.748 4.519 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ncccc3C(=O)c3cccc(Cl)c3)cc2n1 ZINC001437254042 1065526139 /nfs/dbraw/zinc/52/61/39/1065526139.db2.gz MUKZHCWRDCTHCZ-UHFFFAOYSA-N 0 0 459.815 4.588 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001437267831 1065527334 /nfs/dbraw/zinc/52/73/34/1065527334.db2.gz JPVUBUCWXAYJKC-IAGOWNOFSA-N 0 0 454.514 4.531 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCc4ccc(F)cc4[C@@H](C)C3)[nH]c(=O)c2c1C ZINC001437268229 1065527838 /nfs/dbraw/zinc/52/78/38/1065527838.db2.gz NKPGEUAZCNYUCI-WFASDCNBSA-N 0 0 459.612 4.963 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccon1)Oc1ccc(Cl)cc1 ZINC001360541240 1065527954 /nfs/dbraw/zinc/52/79/54/1065527954.db2.gz JSMLEDLEWJLRCK-CQSZACIVSA-N 0 0 459.337 4.739 20 0 JJADRN 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COc1ccc(C[C@@H](C)C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)cc1OC ZINC001437285538 1065530601 /nfs/dbraw/zinc/53/06/01/1065530601.db2.gz HKPWOOLZANCMMX-CQSZACIVSA-N 0 0 456.340 4.741 20 0 JJADRN C[C@@H]1CN(c2cc(F)cc(NC(=O)c3nc(Br)sc3C3CC3)c2)C[C@H](C)O1 ZINC001437285638 1065530740 /nfs/dbraw/zinc/53/07/40/1065530740.db2.gz UOUUJCIKQHQYJO-PHIMTYICSA-N 0 0 454.365 4.788 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc(Cl)c1OCC(C)C ZINC001437286703 1065531007 /nfs/dbraw/zinc/53/10/07/1065531007.db2.gz IALJYWLTBXHVBV-DOTOQJQBSA-N 0 0 454.995 4.901 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)c2ccccc21 ZINC001437286240 1065531026 /nfs/dbraw/zinc/53/10/26/1065531026.db2.gz HGCNIOGSYGIMMU-IAGOWNOFSA-N 0 0 454.514 4.867 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N(C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001437286668 1065531185 /nfs/dbraw/zinc/53/11/85/1065531185.db2.gz HWDZHMOOZORROU-FQEVSTJZSA-N 0 0 458.986 4.793 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001360542346 1065531474 /nfs/dbraw/zinc/53/14/74/1065531474.db2.gz UJNKZGUHOAZKMW-MRXNPFEDSA-N 0 0 473.980 4.994 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)N(C)[C@@H]3CCCc4c(OC)ccc(Cl)c43)CC2=O)cc1 ZINC001437287468 1065531554 /nfs/dbraw/zinc/53/15/54/1065531554.db2.gz KODULWVSPIZTFB-HRAATJIYSA-N 0 0 456.970 4.636 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(C)c1Br ZINC001437289479 1065531944 /nfs/dbraw/zinc/53/19/44/1065531944.db2.gz SWIARJMOBMPKCK-NVXWUHKLSA-N 0 0 453.421 4.821 20 0 JJADRN O=C(Nc1ccnc(-c2cccc(Br)c2)n1)c1ccn(-c2ccc(F)cc2F)n1 ZINC001437287931 1065531989 /nfs/dbraw/zinc/53/19/89/1065531989.db2.gz VMWOLHLRKUQTAL-UHFFFAOYSA-N 0 0 456.250 4.622 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC001437288963 1065532063 /nfs/dbraw/zinc/53/20/63/1065532063.db2.gz QNQQOMVBSRWEFL-UXHICEINSA-N 0 0 450.913 4.730 20 0 JJADRN 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Cc1ccc(C2(C(=O)N[C@@H]3CCCc4c3ccc(=O)n4C)CCCCC2)c(Br)c1 ZINC001437293169 1065533254 /nfs/dbraw/zinc/53/32/54/1065533254.db2.gz WSJNOOUYXQRAFA-HXUWFJFHSA-N 0 0 457.412 4.852 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1)N(C)C(=O)OC(C)(C)C ZINC001360544408 1065533896 /nfs/dbraw/zinc/53/38/96/1065533896.db2.gz ILRILMHUCFZUEQ-OAHLLOKOSA-N 0 0 477.034 4.947 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360544345 1065533922 /nfs/dbraw/zinc/53/39/22/1065533922.db2.gz HMMZVKDMPXYIGG-AEFFLSMTSA-N 0 0 467.536 4.979 20 0 JJADRN C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360545127 1065535423 /nfs/dbraw/zinc/53/54/23/1065535423.db2.gz AMLMYGUHOLKPGA-GHTZIAJQSA-N 0 0 480.588 4.776 20 0 JJADRN C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1nccs1 ZINC001360545028 1065535530 /nfs/dbraw/zinc/53/55/30/1065535530.db2.gz VNQFQKSURHTFMQ-SJORKVTESA-N 0 0 486.617 4.790 20 0 JJADRN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)C1 ZINC001437313367 1065535674 /nfs/dbraw/zinc/53/56/74/1065535674.db2.gz AMLONYOLRYNXDL-MFNWYONOSA-N 0 0 463.327 4.719 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360545161 1065535622 /nfs/dbraw/zinc/53/56/22/1065535622.db2.gz BBOOGTPHDTUFMA-RBBKRZOGSA-N 0 0 478.641 4.751 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360545250 1065536118 /nfs/dbraw/zinc/53/61/18/1065536118.db2.gz YKCGFLRNZIKNBL-WOIUINJBSA-N 0 0 494.665 4.870 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCC[C@H]3SC)c2)cc1 ZINC001437316903 1065536368 /nfs/dbraw/zinc/53/63/68/1065536368.db2.gz KEMBYLUAZUXUNM-DHIUTWEWSA-N 0 0 476.664 4.623 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1CC[C@@H]1CCc2ccccc21 ZINC001545906236 1065536457 /nfs/dbraw/zinc/53/64/57/1065536457.db2.gz URORUUGJDHMXPS-PZJWPPBQSA-N 0 0 455.672 4.648 20 0 JJADRN COCCN(C(=O)c1sccc1C(F)F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437316272 1065536471 /nfs/dbraw/zinc/53/64/71/1065536471.db2.gz RTAFVOQFTOFGOL-UHFFFAOYSA-N 0 0 452.523 4.576 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1Cc1cccs1)N(C)C(=O)OC(C)(C)C ZINC001360545522 1065536571 /nfs/dbraw/zinc/53/65/71/1065536571.db2.gz FKJBASAHLOWCSQ-RTBURBONSA-N 0 0 482.654 4.869 20 0 JJADRN C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360545845 1065537085 /nfs/dbraw/zinc/53/70/85/1065537085.db2.gz LQXRIQJQXVQUEX-CEXWTWQISA-N 0 0 499.685 4.673 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001360546232 1065537613 /nfs/dbraw/zinc/53/76/13/1065537613.db2.gz HZOJXQHPLVCFIO-NRFANRHFSA-N 0 0 453.583 4.571 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)NC3(c4ccccc4Br)CCC3)n2)cc1 ZINC001437321507 1065537615 /nfs/dbraw/zinc/53/76/15/1065537615.db2.gz RIFVJEKURIDORP-UHFFFAOYSA-N 0 0 456.340 4.636 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCC1)c1cccc(I)c1 ZINC001437321908 1065537643 /nfs/dbraw/zinc/53/76/43/1065537643.db2.gz VIKHOHPJQPSEMQ-UHFFFAOYSA-N 0 0 456.121 4.863 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2nccn2C)c(Br)c1 ZINC001437330217 1065537809 /nfs/dbraw/zinc/53/78/09/1065537809.db2.gz XNOZIEIMDWEZEZ-FQEVSTJZSA-N 0 0 458.425 4.937 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)nnn1-c1cccc(Cl)c1 ZINC001360546604 1065538042 /nfs/dbraw/zinc/53/80/42/1065538042.db2.gz OAVWVLBZZKPEGI-UHFFFAOYSA-N 0 0 455.946 4.760 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360546688 1065538121 /nfs/dbraw/zinc/53/81/21/1065538121.db2.gz UAZGWMQAOGECDH-FPOVZHCZSA-N 0 0 464.614 4.533 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360546520 1065538165 /nfs/dbraw/zinc/53/81/65/1065538165.db2.gz SBOMGAHLQUQWTL-ZWKOTPCHSA-N 0 0 450.587 4.620 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)[C@H](C)CO1 ZINC001437339798 1065538834 /nfs/dbraw/zinc/53/88/34/1065538834.db2.gz YZSUBHWRTOVHAU-OXQOHEQNSA-N 0 0 454.368 4.941 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1C[C@H](C)Oc1ccccc1 ZINC001545906329 1065538882 /nfs/dbraw/zinc/53/88/82/1065538882.db2.gz WMZQGHJNINXCIU-FQEVSTJZSA-N 0 0 453.631 4.825 20 0 JJADRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(I)s1 ZINC001360548031 1065539138 /nfs/dbraw/zinc/53/91/38/1065539138.db2.gz CERWFAYPZNHZPJ-ZDUSSCGKSA-N 0 0 457.377 4.776 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360547140 1065539330 /nfs/dbraw/zinc/53/93/30/1065539330.db2.gz ZBBAGGJSKJISOK-DYESRHJHSA-N 0 0 455.990 4.712 20 0 JJADRN O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001360548223 1065539763 /nfs/dbraw/zinc/53/97/63/1065539763.db2.gz KYLPAAMTYLMKGP-HSZRJFAPSA-N 0 0 454.904 4.735 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1Cc2ccoc2CC(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001360548934 1065540112 /nfs/dbraw/zinc/54/01/12/1065540112.db2.gz IMLIISDZCCJKJF-KRWDZBQOSA-N 0 0 468.602 4.711 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001360549233 1065540154 /nfs/dbraw/zinc/54/01/54/1065540154.db2.gz OAWKNKABYGVYSO-OALUTQOASA-N 0 0 498.603 4.573 20 0 JJADRN O=C(/C=C\Sc1cc(F)ccc1F)NCCc1ccc(I)s1 ZINC001360548795 1065540220 /nfs/dbraw/zinc/54/02/20/1065540220.db2.gz ZQHFSBLEWUXXEU-VURMDHGXSA-N 0 0 451.301 4.596 20 0 JJADRN O=C(/C=C/Sc1cc(F)ccc1F)NCCc1ccc(I)s1 ZINC001360548792 1065540345 /nfs/dbraw/zinc/54/03/45/1065540345.db2.gz ZQHFSBLEWUXXEU-SOFGYWHQSA-N 0 0 451.301 4.596 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001545906423 1065540335 /nfs/dbraw/zinc/54/03/35/1065540335.db2.gz YNMWVUYWXSYTKT-CDNPAEQRSA-N 0 0 487.092 4.922 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2cccc(Oc3ccccc3F)c2)CCCOC1 ZINC001437350059 1065540585 /nfs/dbraw/zinc/54/05/85/1065540585.db2.gz VBJYGZOBDNQRAI-VWLOTQADSA-N 0 0 458.530 4.556 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001545906424 1065540979 /nfs/dbraw/zinc/54/09/79/1065540979.db2.gz YNMWVUYWXSYTKT-NMNUPHIUSA-N 0 0 487.092 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1Cc1csc([C@H](C)OC)n1 ZINC001545906430 1065541099 /nfs/dbraw/zinc/54/10/99/1065541099.db2.gz YSDWBVLGAYHDCG-AVRWGWEMSA-N 0 0 486.686 4.735 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1)c1nccs1 ZINC001360549594 1065541282 /nfs/dbraw/zinc/54/12/82/1065541282.db2.gz VMIIUBRXNATYHN-HNNXBMFYSA-N 0 0 471.428 4.975 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)o1)Oc1ccccc1 ZINC001360549566 1065541466 /nfs/dbraw/zinc/54/14/66/1065541466.db2.gz VAHINWDUHISYTN-HNNXBMFYSA-N 0 0 456.344 4.733 20 0 JJADRN NC(=O)c1ccc(Br)c(OC(=O)CCc2cccc(OCc3ccccc3)c2)c1 ZINC001437364505 1065542159 /nfs/dbraw/zinc/54/21/59/1065542159.db2.gz UXLBFLZZWVDVNT-UHFFFAOYSA-N 0 0 454.320 4.665 20 0 JJADRN C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Sc1ccccc1 ZINC001360550766 1065542212 /nfs/dbraw/zinc/54/22/12/1065542212.db2.gz RBIYSTPYQYDQRN-SJORKVTESA-N 0 0 464.561 4.527 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)c1cncc(-n2ccnn2)c1 ZINC001437366636 1065542838 /nfs/dbraw/zinc/54/28/38/1065542838.db2.gz OTMBSXUQIHQRLE-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CCCCOc1cc(OCCC)ccc1C(=O)Nc1ccc(S(C)(=O)=O)c2ccncc12 ZINC001437371397 1065543657 /nfs/dbraw/zinc/54/36/57/1065543657.db2.gz LQRMFQWXDMRMTR-UHFFFAOYSA-N 0 0 456.564 4.858 20 0 JJADRN CCCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001437372781 1065543670 /nfs/dbraw/zinc/54/36/70/1065543670.db2.gz XLIMIQRNIVCALU-RBBKRZOGSA-N 0 0 457.640 4.970 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNC(=O)c1cccc(OCc2cscn2)c1)c1ccccc1 ZINC001437369589 1065543695 /nfs/dbraw/zinc/54/36/95/1065543695.db2.gz SBWXYZUNCCVQJB-RUZDIDTESA-N 0 0 452.576 4.752 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001437374335 1065544116 /nfs/dbraw/zinc/54/41/16/1065544116.db2.gz GXVPOHDUOVOLTJ-UKRRQHHQSA-N 0 0 455.386 4.797 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001437375427 1065544150 /nfs/dbraw/zinc/54/41/50/1065544150.db2.gz CCQQOWDJIJLVNG-IBGZPJMESA-N 0 0 452.580 4.722 20 0 JJADRN CCCCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CCc2ncsc2C1 ZINC001437375861 1065544169 /nfs/dbraw/zinc/54/41/69/1065544169.db2.gz YVFHBCICAFQUQH-CQSZACIVSA-N 0 0 453.402 4.723 20 0 JJADRN C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360553724 1065544479 /nfs/dbraw/zinc/54/44/79/1065544479.db2.gz CLNZVDFUOBXBLI-FXAWDEMLSA-N 0 0 485.604 4.649 20 0 JJADRN C[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCSC[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360554377 1065545168 /nfs/dbraw/zinc/54/51/68/1065545168.db2.gz WMLKTDBWUYNGMR-SJORKVTESA-N 0 0 470.643 4.624 20 0 JJADRN C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCSC[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360554376 1065545184 /nfs/dbraw/zinc/54/51/84/1065545184.db2.gz WMLKTDBWUYNGMR-IRXDYDNUSA-N 0 0 470.643 4.624 20 0 JJADRN C[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001437382267 1065545206 /nfs/dbraw/zinc/54/52/06/1065545206.db2.gz RGJHWQHSBLAVAE-LPHOPBHVSA-N 0 0 453.421 4.924 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC001437379296 1065545659 /nfs/dbraw/zinc/54/56/59/1065545659.db2.gz MKALKWYZPFFMAC-QAPCUYQASA-N 0 0 456.505 4.831 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437383608 1065545967 /nfs/dbraw/zinc/54/59/67/1065545967.db2.gz XDKBFQWSELJJME-WMZOPIPTSA-N 0 0 456.414 4.726 20 0 JJADRN O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCCc2nc(Br)ccc21 ZINC001437384294 1065545972 /nfs/dbraw/zinc/54/59/72/1065545972.db2.gz LHMNGSWJDGMARN-UHFFFAOYSA-N 0 0 451.246 4.642 20 0 JJADRN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001437390367 1065546658 /nfs/dbraw/zinc/54/66/58/1065546658.db2.gz XTAXNLHEQOVWHH-GOSISDBHSA-N 0 0 451.405 4.776 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(I)cc1 ZINC001437390384 1065546743 /nfs/dbraw/zinc/54/67/43/1065546743.db2.gz XVQSKWIRORTTAM-CYBMUJFWSA-N 0 0 451.304 4.989 20 0 JJADRN C[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)Oc1ccc(F)cc1 ZINC001360557810 1065546888 /nfs/dbraw/zinc/54/68/88/1065546888.db2.gz GFKIWWZYFDAOEN-RTBURBONSA-N 0 0 487.620 4.845 20 0 JJADRN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001437391249 1065547191 /nfs/dbraw/zinc/54/71/91/1065547191.db2.gz RJRUOTPUPWEMNT-UNVFRBQDSA-N 0 0 458.599 4.577 20 0 JJADRN CC(C)O[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001437398776 1065547235 /nfs/dbraw/zinc/54/72/35/1065547235.db2.gz UCFWWBHCCUKTOQ-HBMCJLEFSA-N 0 0 451.007 4.707 20 0 JJADRN CC(C)OC(=O)Nc1ccc(OC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c(Cl)c1 ZINC001437392604 1065547372 /nfs/dbraw/zinc/54/73/72/1065547372.db2.gz BLICITKLHPYAIO-KRWDZBQOSA-N 0 0 454.704 4.969 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360559214 1065548458 /nfs/dbraw/zinc/54/84/58/1065548458.db2.gz GMHNYFQNZFLSFS-BVZFJXPGSA-N 0 0 463.667 4.833 20 0 JJADRN Cc1ccc(Br)cc1CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001437417472 1065549044 /nfs/dbraw/zinc/54/90/44/1065549044.db2.gz RSHIQPZPOPVMQF-SFHVURJKSA-N 0 0 451.405 4.738 20 0 JJADRN C[C@H](Cn1c(C2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001360559580 1065549292 /nfs/dbraw/zinc/54/92/92/1065549292.db2.gz JPCOYRBDTSETGB-OAHLLOKOSA-N 0 0 468.495 4.890 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001360559696 1065549310 /nfs/dbraw/zinc/54/93/10/1065549310.db2.gz LLJLNFAMVWCOJR-NHCUHLMSSA-N 0 0 467.658 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(Br)cc2F)C12CCCC2 ZINC001437416660 1065549206 /nfs/dbraw/zinc/54/92/06/1065549206.db2.gz PCOSMYXQRPJHOB-QGZVFWFLSA-N 0 0 455.368 4.569 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001360559754 1065549616 /nfs/dbraw/zinc/54/96/16/1065549616.db2.gz MIQWCRRZGXJHKY-STZQEDGTSA-N 0 0 487.620 4.956 20 0 JJADRN C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)Oc1ccc(F)cc1 ZINC001360559850 1065549869 /nfs/dbraw/zinc/54/98/69/1065549869.db2.gz NXCULYLQMTWGAX-SJORKVTESA-N 0 0 469.527 4.615 20 0 JJADRN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)n1 ZINC001437421859 1065550774 /nfs/dbraw/zinc/55/07/74/1065550774.db2.gz QIZKVLXOJMAAHV-SUMWQHHRSA-N 0 0 450.352 4.509 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360560406 1065551022 /nfs/dbraw/zinc/55/10/22/1065551022.db2.gz WKULAUNMWZIOJM-CVDCTZTESA-N 0 0 497.640 4.774 20 0 JJADRN CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC001360560804 1065551405 /nfs/dbraw/zinc/55/14/05/1065551405.db2.gz HCYRZOMTOPEADH-JKDFXYPNSA-N 0 0 452.418 4.609 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(F)cc(F)c1)N(C)C(=O)OC(C)(C)C ZINC001360560624 1065551428 /nfs/dbraw/zinc/55/14/28/1065551428.db2.gz ZRBUVPHIXJZTDP-UZLBHIALSA-N 0 0 479.572 4.690 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(F)cc(F)c1)N(C)C(=O)OC(C)(C)C ZINC001360560623 1065551524 /nfs/dbraw/zinc/55/15/24/1065551524.db2.gz ZRBUVPHIXJZTDP-OXQOHEQNSA-N 0 0 479.572 4.690 20 0 JJADRN COCc1ccc(NC(=O)c2ccc(F)cc2I)cc1C(F)(F)F ZINC001437436359 1065551797 /nfs/dbraw/zinc/55/17/97/1065551797.db2.gz JYTJHCLPYFLWBM-UHFFFAOYSA-N 0 0 453.173 4.848 20 0 JJADRN O=C(c1cnc(Br)c(Br)c1)N1CCCC[C@@H]1Cc1ccccc1F ZINC001437439356 1065552486 /nfs/dbraw/zinc/55/24/86/1065552486.db2.gz GGWUNPLTECSMMZ-CQSZACIVSA-N 0 0 456.153 4.983 20 0 JJADRN C[C@]1(CCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C[C@@]1(F)Cl ZINC001437442852 1065552942 /nfs/dbraw/zinc/55/29/42/1065552942.db2.gz YZJRBYHJQZDACS-PMACEKPBSA-N 0 0 454.771 4.948 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCc2ccc(C(N)=O)nc21 ZINC001437443865 1065552956 /nfs/dbraw/zinc/55/29/56/1065552956.db2.gz GPHCHVQEJYKMIR-UHFFFAOYSA-N 0 0 459.333 4.859 20 0 JJADRN Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 ZINC001437446350 1065553099 /nfs/dbraw/zinc/55/30/99/1065553099.db2.gz ZVQGXKIAIRXNNP-JOCHJYFZSA-N 0 0 458.599 4.546 20 0 JJADRN O=C(Nc1cnc2ccccn12)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001437446450 1065553604 /nfs/dbraw/zinc/55/36/04/1065553604.db2.gz PJTYNJGAJWRELR-UHFFFAOYSA-N 0 0 456.762 4.777 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1)c1nccs1 ZINC001360563763 1065553766 /nfs/dbraw/zinc/55/37/66/1065553766.db2.gz METYMRYGFZUPQA-FGTMMUONSA-N 0 0 492.715 4.595 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1ccc(Cl)cc1)c1nccs1 ZINC001360563548 1065553825 /nfs/dbraw/zinc/55/38/25/1065553825.db2.gz KYUONGUCTKXSAG-IRXDYDNUSA-N 0 0 462.019 4.601 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)Oc1cccc(OC3CC3)c1)C2 ZINC001437450347 1065554106 /nfs/dbraw/zinc/55/41/06/1065554106.db2.gz MGAVKVXTPSTGQQ-HXUWFJFHSA-N 0 0 455.507 4.517 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C)c1nccs1 ZINC001360563954 1065554294 /nfs/dbraw/zinc/55/42/94/1065554294.db2.gz NDRGSNBCJDEQKS-ZSYWTGECSA-N 0 0 474.675 4.888 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1)N(C)c1ccccc1 ZINC001360563957 1065554476 /nfs/dbraw/zinc/55/44/76/1065554476.db2.gz NDVBJABOZLYHLZ-ROUUACIJSA-N 0 0 488.430 4.689 20 0 JJADRN COCCCOc1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1 ZINC001437457821 1065554787 /nfs/dbraw/zinc/55/47/87/1065554787.db2.gz ZIHWHCBIQZTCIY-OAQYLSRUSA-N 0 0 454.567 4.588 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)[C@H]2CCCC[C@@H]12 ZINC001437459456 1065555423 /nfs/dbraw/zinc/55/54/23/1065555423.db2.gz RKRKMXKTOLMVPW-MZKRTTBSSA-N 0 0 458.002 4.574 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360564477 1065555699 /nfs/dbraw/zinc/55/56/99/1065555699.db2.gz PVWDRASFWWRSCA-MQSCRBSSSA-N 0 0 498.672 4.508 20 0 JJADRN Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001437463839 1065555951 /nfs/dbraw/zinc/55/59/51/1065555951.db2.gz VLDKSESHZLDFRR-OAHLLOKOSA-N 0 0 451.411 4.885 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccsc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360565790 1065556771 /nfs/dbraw/zinc/55/67/71/1065556771.db2.gz ZVYZPBGTULSJBZ-ICSRJNTNSA-N 0 0 489.686 4.873 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccsc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001360565792 1065556821 /nfs/dbraw/zinc/55/68/21/1065556821.db2.gz ZVYZPBGTULSJBZ-UYAOXDASSA-N 0 0 489.686 4.873 20 0 JJADRN Cc1cc(NC(=O)c2cnn(C(C)(C)C)c2I)cc(C(F)(F)F)c1 ZINC001437469289 1065557018 /nfs/dbraw/zinc/55/70/18/1065557018.db2.gz YRKYCMJSDSJKHY-UHFFFAOYSA-N 0 0 451.230 4.822 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCc3cccc(OC4CC4)c3F)cc2)c(C)c1Br ZINC001437470205 1065557718 /nfs/dbraw/zinc/55/77/18/1065557718.db2.gz GBONZPWILRJRRS-UHFFFAOYSA-N 0 0 458.331 4.862 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2ccccc2S(C)(=O)=O)cc1C ZINC001360566860 1065557927 /nfs/dbraw/zinc/55/79/27/1065557927.db2.gz HOMXFXODTYAFMP-UHFFFAOYSA-N 0 0 451.588 4.867 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001360567288 1065557953 /nfs/dbraw/zinc/55/79/53/1065557953.db2.gz WDBQBDFXLPPOQQ-UHFFFAOYSA-N 0 0 450.276 4.573 20 0 JJADRN O=C(Nc1ccc2ccn(C(F)F)c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001437476452 1065559504 /nfs/dbraw/zinc/55/95/04/1065559504.db2.gz ZCDPSYMKTGXOIX-UHFFFAOYSA-N 0 0 453.898 4.727 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1)Oc1ccc(Cl)cc1 ZINC001360568290 1065560065 /nfs/dbraw/zinc/56/00/65/1065560065.db2.gz CDXLDNLOXGTXMB-HXUWFJFHSA-N 0 0 492.108 4.782 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3cccs3)cc2)cc1 ZINC001437482884 1065560505 /nfs/dbraw/zinc/56/05/05/1065560505.db2.gz OZCNEWVOKAUFPG-GOSISDBHSA-N 0 0 454.617 4.908 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)c1nccs1 ZINC001360568767 1065560628 /nfs/dbraw/zinc/56/06/28/1065560628.db2.gz GKGDUWMCBQGWBM-ROUUACIJSA-N 0 0 456.635 4.981 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)c1nccs1 ZINC001360568763 1065560678 /nfs/dbraw/zinc/56/06/78/1065560678.db2.gz GKGDUWMCBQGWBM-MSOLQXFVSA-N 0 0 456.635 4.981 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)c2nc(Br)ccc2Br)cc1F ZINC001437483284 1065560604 /nfs/dbraw/zinc/56/06/04/1065560604.db2.gz RNFXGRGTGGGVKJ-CYBMUJFWSA-N 0 0 458.125 4.732 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)Oc1ccccc1F ZINC001360568641 1065560815 /nfs/dbraw/zinc/56/08/15/1065560815.db2.gz DYXMLCICJDEYLI-OALUTQOASA-N 0 0 486.661 4.813 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)Nc1ccc(I)cc1F ZINC001437489045 1065561975 /nfs/dbraw/zinc/56/19/75/1065561975.db2.gz PYAHGGYWNSFMSG-UHFFFAOYSA-N 0 0 452.036 4.513 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOC(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360569379 1065562486 /nfs/dbraw/zinc/56/24/86/1065562486.db2.gz HJYYPCIGQRGNER-GOSISDBHSA-N 0 0 454.619 4.972 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001437501360 1065563051 /nfs/dbraw/zinc/56/30/51/1065563051.db2.gz CDWGZNPXSXJTOJ-XEKQOVJPSA-N 0 0 456.739 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCSCc1ccccc1 ZINC001545907358 1065563136 /nfs/dbraw/zinc/56/31/36/1065563136.db2.gz GXJGSBLGRYRWOJ-RBBKRZOGSA-N 0 0 455.672 4.899 20 0 JJADRN CCc1c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC001437504364 1065563587 /nfs/dbraw/zinc/56/35/87/1065563587.db2.gz KFRNVEJABJWXBB-OYHNWAKOSA-N 0 0 472.358 4.939 20 0 JJADRN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)Oc1cccc(F)c1 ZINC001360570340 1065563724 /nfs/dbraw/zinc/56/37/24/1065563724.db2.gz QJYPGDQNUDFEBH-HNNXBMFYSA-N 0 0 492.521 4.845 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1sc(Cc3ccc(F)cc3)nc1C)CCC2 ZINC001437502904 1065563741 /nfs/dbraw/zinc/56/37/41/1065563741.db2.gz BYVKHSFCBYKFIU-LJQANCHMSA-N 0 0 452.551 4.818 20 0 JJADRN C[C@H]1C[C@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C[C@@H](C)C1 ZINC001437506381 1065564149 /nfs/dbraw/zinc/56/41/49/1065564149.db2.gz DYLWQBSQPVQECE-LHHMISFZSA-N 0 0 453.396 4.629 20 0 JJADRN C[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)Oc1ccc(F)cc1 ZINC001360570722 1065564452 /nfs/dbraw/zinc/56/44/52/1065564452.db2.gz OEDSTTYXNPVRSL-DAYGRLMNSA-N 0 0 458.500 4.629 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)COc1ccccc1Br ZINC001437510961 1065564804 /nfs/dbraw/zinc/56/48/04/1065564804.db2.gz ZWIPGBUCLKLUPW-ORAYPTAESA-N 0 0 469.173 4.579 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1Cc1ccsc1Br ZINC001545907382 1065565012 /nfs/dbraw/zinc/56/50/12/1065565012.db2.gz HHRDAIDEDMWFAM-WMLDXEAASA-N 0 0 480.476 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1Cc1c(Cl)cccc1OC ZINC001545907391 1065565427 /nfs/dbraw/zinc/56/54/27/1065565427.db2.gz HNDGFEQGEOJTAF-UZLBHIALSA-N 0 0 460.022 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1CC1(c2ccccc2OC)CCC1 ZINC001545907426 1065565910 /nfs/dbraw/zinc/56/59/10/1065565910.db2.gz IOMXRTMYJRIRSF-UHFFFAOYSA-N 0 0 453.631 4.707 20 0 JJADRN CC(C)(C)Sc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)ccn1 ZINC001437521021 1065565959 /nfs/dbraw/zinc/56/59/59/1065565959.db2.gz KHRIUMHYRLNAHB-DLBZAZTESA-N 0 0 457.562 4.768 20 0 JJADRN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1)Sc1ccccc1 ZINC001360573189 1065566643 /nfs/dbraw/zinc/56/66/43/1065566643.db2.gz HBPQVCGSRHJGED-QGZVFWFLSA-N 0 0 470.440 4.934 20 0 JJADRN CN(C)C(=O)[C@@](C)(NC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C)C(F)(F)F ZINC001437526277 1065567239 /nfs/dbraw/zinc/56/72/39/1065567239.db2.gz JGYVENXMLDNWMP-IIEXZPCQSA-N 0 0 451.316 4.717 20 0 JJADRN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360573839 1065567813 /nfs/dbraw/zinc/56/78/13/1065567813.db2.gz UIPKIGWBJWJORQ-CVDCTZTESA-N 0 0 467.589 4.654 20 0 JJADRN Cc1nn(-c2ccccc2)c(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1Cl ZINC001437528458 1065568310 /nfs/dbraw/zinc/56/83/10/1065568310.db2.gz BOXCTBLIKBJZHN-HNNXBMFYSA-N 0 0 459.731 4.661 20 0 JJADRN COc1ccc(CN(CC(F)(F)F)C(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC001437528664 1065568337 /nfs/dbraw/zinc/56/83/37/1065568337.db2.gz AEENAYALPKKBSM-UHFFFAOYSA-N 0 0 456.464 4.933 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cc(Br)cc(OC(C)C)c2)n1 ZINC001437530993 1065568799 /nfs/dbraw/zinc/56/87/99/1065568799.db2.gz QLFXOQVAQQTPRA-KRWDZBQOSA-N 0 0 452.349 4.589 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc2ccccc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC001360574312 1065568853 /nfs/dbraw/zinc/56/88/53/1065568853.db2.gz DCJCRRBSLUNIFD-IBGZPJMESA-N 0 0 489.624 4.637 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Sc1ccccc1 ZINC001360574283 1065568896 /nfs/dbraw/zinc/56/88/96/1065568896.db2.gz CQVQOKYEDKGVNR-FPOVZHCZSA-N 0 0 494.665 4.548 20 0 JJADRN CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)Sc2ccccc2)cn1 ZINC001360574338 1065568954 /nfs/dbraw/zinc/56/89/54/1065568954.db2.gz DRGMJVQLTOBMCE-FQEVSTJZSA-N 0 0 473.650 4.995 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360574360 1065569026 /nfs/dbraw/zinc/56/90/26/1065569026.db2.gz FFUVUYGGTJBGMI-NRFANRHFSA-N 0 0 490.652 4.903 20 0 JJADRN COCCc1ccc(OCCCC(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cc1 ZINC001437536147 1065569121 /nfs/dbraw/zinc/56/91/21/1065569121.db2.gz QURGGSWPVFNSDO-UHFFFAOYSA-N 0 0 453.579 4.969 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)n1 ZINC001437533284 1065569156 /nfs/dbraw/zinc/56/91/56/1065569156.db2.gz UZEYMYRVYPVRFN-HNNXBMFYSA-N 0 0 450.417 4.714 20 0 JJADRN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1)N(C)C(=O)OC(C)(C)C ZINC001360574510 1065569442 /nfs/dbraw/zinc/56/94/42/1065569442.db2.gz IKOMOAYEQRGEFT-WMZHIEFXSA-N 0 0 492.624 4.566 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1)N(C)C(=O)OC(C)(C)C ZINC001360574568 1065569691 /nfs/dbraw/zinc/56/96/91/1065569691.db2.gz JNAXKZTWEKZSFK-DENIHFKCSA-N 0 0 494.615 4.652 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1CCCc1cccc(F)c1 ZINC001545907634 1065569745 /nfs/dbraw/zinc/56/97/45/1065569745.db2.gz NPMZUDVZVLGRAE-OAQYLSRUSA-N 0 0 461.651 4.690 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001545907608 1065569854 /nfs/dbraw/zinc/56/98/54/1065569854.db2.gz NDDFDHVZJIRNGK-UHFFFAOYSA-N 0 0 486.627 4.631 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)c1nccs1 ZINC001360574726 1065570182 /nfs/dbraw/zinc/57/01/82/1065570182.db2.gz MBBJQEGSPXAYCG-CVEARBPZSA-N 0 0 454.550 5.000 20 0 JJADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 ZINC001360574873 1065570235 /nfs/dbraw/zinc/57/02/35/1065570235.db2.gz PBJQJMZGBREQAO-WIYYLYMNSA-N 0 0 459.516 4.615 20 0 JJADRN CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC001437547134 1065570272 /nfs/dbraw/zinc/57/02/72/1065570272.db2.gz FTECASGEWKTSPY-DENIHFKCSA-N 0 0 459.537 4.554 20 0 JJADRN Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)CO2 ZINC001437546793 1065570286 /nfs/dbraw/zinc/57/02/86/1065570286.db2.gz CPXBGQAHZOSVRW-YMPZKCBVSA-N 0 0 468.569 4.828 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)cc1 ZINC001437546916 1065570382 /nfs/dbraw/zinc/57/03/82/1065570382.db2.gz RPXMSGVOVNLXAY-UHFFFAOYSA-N 0 0 455.483 4.658 20 0 JJADRN CCOC(=O)[C@@](NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1)(C1CCC1)C(F)(F)F ZINC001437546245 1065570428 /nfs/dbraw/zinc/57/04/28/1065570428.db2.gz PPIQMXQIWDXFCX-JYBLJSLWSA-N 0 0 453.379 4.769 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001437547344 1065570863 /nfs/dbraw/zinc/57/08/63/1065570863.db2.gz HDUFQRRJFDCEHO-RBZQAINGSA-N 0 0 450.579 4.714 20 0 JJADRN C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360575378 1065571291 /nfs/dbraw/zinc/57/12/91/1065571291.db2.gz VAGSUMCNHVOYEV-GMAHTHKFSA-N 0 0 490.652 4.809 20 0 JJADRN CC(C)(C)n1ncc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1Br ZINC001437549736 1065571331 /nfs/dbraw/zinc/57/13/31/1065571331.db2.gz YNTDEOWGJADQFG-HXUWFJFHSA-N 0 0 454.796 4.576 20 0 JJADRN CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001437548899 1065571346 /nfs/dbraw/zinc/57/13/46/1065571346.db2.gz BYLKFBKFQHRKPZ-NTKDMRAZSA-N 0 0 455.396 4.816 20 0 JJADRN CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC001437549157 1065571443 /nfs/dbraw/zinc/57/14/43/1065571443.db2.gz KZTDVTVRANDWHA-AREMUKBSSA-N 0 0 454.636 4.797 20 0 JJADRN CC1=NN(c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3cccc(F)c3)cc2)CC1 ZINC001437553123 1065572524 /nfs/dbraw/zinc/57/25/24/1065572524.db2.gz SYUORPMXAUQIDQ-DNQXCXABSA-N 0 0 480.584 4.935 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC001437554072 1065573182 /nfs/dbraw/zinc/57/31/82/1065573182.db2.gz DGAWPRNJKUHIPT-UPVQGACJSA-N 0 0 479.552 4.906 20 0 JJADRN CO[C@@](C)(CNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001437554171 1065573193 /nfs/dbraw/zinc/57/31/93/1065573193.db2.gz NZYKGNZLSCOMGV-XCZPVHLTSA-N 0 0 457.574 4.732 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001360578368 1065573556 /nfs/dbraw/zinc/57/35/56/1065573556.db2.gz IPTYEUPIHJSUIT-HXUWFJFHSA-N 0 0 485.648 4.701 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CSCC(F)(F)F)cc1 ZINC001437554562 1065573646 /nfs/dbraw/zinc/57/36/46/1065573646.db2.gz FYXSZXUHBWSSKK-ROUUACIJSA-N 0 0 476.561 4.590 20 0 JJADRN CO[C@](C)(CNC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21)COCc1ccccc1 ZINC001437556016 1065574229 /nfs/dbraw/zinc/57/42/29/1065574229.db2.gz RPYHMWNUDVXNTM-HHHXNRCGSA-N 0 0 459.546 4.858 20 0 JJADRN C[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)Sc1ccccc1 ZINC001360579004 1065575134 /nfs/dbraw/zinc/57/51/34/1065575134.db2.gz OSWDMBOLWPYKSY-TZIWHRDSSA-N 0 0 469.699 4.790 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)N(C)C(=O)OC(C)(C)C ZINC001360579184 1065575618 /nfs/dbraw/zinc/57/56/18/1065575618.db2.gz PRKPAXSSCQBXLA-QUCCMNQESA-N 0 0 491.702 4.970 20 0 JJADRN C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1)N(C)C(=O)OC(C)(C)C ZINC001360579167 1065575744 /nfs/dbraw/zinc/57/57/44/1065575744.db2.gz PLOMEGSDGXUIJC-INIZCTEOSA-N 0 0 491.061 4.871 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001437559475 1065576343 /nfs/dbraw/zinc/57/63/43/1065576343.db2.gz SZMMNPVGZGILIQ-ISKFKSNPSA-N 0 0 463.553 4.826 20 0 JJADRN C[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Oc1ccc(Cl)cc1 ZINC001360579729 1065576724 /nfs/dbraw/zinc/57/67/24/1065576724.db2.gz WPJDNPSIXDPZSF-FXAWDEMLSA-N 0 0 490.048 4.845 20 0 JJADRN C[C@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2)N(C)C(=O)OC(C)(C)C ZINC001360579890 1065576855 /nfs/dbraw/zinc/57/68/55/1065576855.db2.gz YDRAHRRSFZATRY-GOSISDBHSA-N 0 0 485.629 4.631 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H]2C[C@]1(C)CCC2)N(C)C(=O)OC(C)(C)C ZINC001360580147 1065577476 /nfs/dbraw/zinc/57/74/76/1065577476.db2.gz ZNNIAWWXNGZQOQ-YJLYGGOZSA-N 0 0 459.660 4.955 20 0 JJADRN C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCC(F)F)c1nc(-c2ccccc2)no1 ZINC001360580117 1065577490 /nfs/dbraw/zinc/57/74/90/1065577490.db2.gz YUNNOBRDRCKVCZ-OAHLLOKOSA-N 0 0 458.538 4.876 20 0 JJADRN COC(=O)[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)c1ccccc1Br ZINC001437561523 1065577359 /nfs/dbraw/zinc/57/73/59/1065577359.db2.gz DUQHPCIQJJDFGF-WPKBUWHJSA-N 0 0 454.723 4.766 20 0 JJADRN COC(=O)[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC001437561585 1065577430 /nfs/dbraw/zinc/57/74/30/1065577430.db2.gz FTIQOZDHSSGUQY-PXAZEXFGSA-N 0 0 458.274 4.677 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CC[C@H](C)SC)cc1 ZINC001437562536 1065578007 /nfs/dbraw/zinc/57/80/07/1065578007.db2.gz YMQWXPLJOYMPBA-YYWHXJBOSA-N 0 0 450.645 4.826 20 0 JJADRN COC(=O)[C@H](NC(=O)c1sc(-c2cccs2)nc1C)c1ccccc1Br ZINC001437569426 1065578345 /nfs/dbraw/zinc/57/83/45/1065578345.db2.gz ZGHXOVWXMXDOSU-CQSZACIVSA-N 0 0 451.367 4.587 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)c1ccccc1Br ZINC001437566594 1065578370 /nfs/dbraw/zinc/57/83/70/1065578370.db2.gz NPBFWFFTMURHLD-ZSEKCTLFSA-N 0 0 455.352 4.699 20 0 JJADRN COC(=O)c1c(Cl)cc(F)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC001437570404 1065578840 /nfs/dbraw/zinc/57/88/40/1065578840.db2.gz AEDUMFXIQAZIRJ-UHFFFAOYSA-N 0 0 458.902 4.837 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2sc3ccccc3c2Br)c1 ZINC001360581443 1065579011 /nfs/dbraw/zinc/57/90/11/1065579011.db2.gz LXQHVBPGJVBKBV-SANMLTNESA-N 0 0 452.395 4.811 20 0 JJADRN CC[C@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1CCC(C)CC1 ZINC001360581508 1065579061 /nfs/dbraw/zinc/57/90/61/1065579061.db2.gz UXASAWHJNZPWPZ-RJYAGPCLSA-N 0 0 458.462 4.970 20 0 JJADRN Cc1c(F)c(Br)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001437572941 1065578952 /nfs/dbraw/zinc/57/89/52/1065578952.db2.gz UPACHNNMURSOHQ-KRWDZBQOSA-N 0 0 451.336 4.971 20 0 JJADRN COc1ccc([C@H](NC(=O)/C=C\c2ccc(I)o2)c2ccccc2)cc1 ZINC001437576876 1065579457 /nfs/dbraw/zinc/57/94/57/1065579457.db2.gz KSVWPGXOUBACAV-KXXOPMGUSA-N 0 0 459.283 4.812 20 0 JJADRN COc1ccc([C@@H](NC(=O)/C=C/c2ccc(I)o2)c2ccccc2)cc1 ZINC001437576885 1065580022 /nfs/dbraw/zinc/58/00/22/1065580022.db2.gz KSVWPGXOUBACAV-OSJHKOOESA-N 0 0 459.283 4.812 20 0 JJADRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC001360582595 1065580098 /nfs/dbraw/zinc/58/00/98/1065580098.db2.gz VTCKZENAPIDCHD-PBHICJAKSA-N 0 0 453.327 4.588 20 0 JJADRN O=C(Nc1cccc2c1ccn2C(F)F)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001437578640 1065580733 /nfs/dbraw/zinc/58/07/33/1065580733.db2.gz NTLMSJKANHRVQF-UHFFFAOYSA-N 0 0 453.898 4.727 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC(C)(C)C1)Oc1ccccc1F ZINC001360583373 1065580709 /nfs/dbraw/zinc/58/07/09/1065580709.db2.gz CBHBEWZBUYINNN-KRWDZBQOSA-N 0 0 471.602 4.503 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)c(C)c1 ZINC001437581449 1065581045 /nfs/dbraw/zinc/58/10/45/1065581045.db2.gz LQVSJYNSGDIVJH-LJQANCHMSA-N 0 0 453.539 4.660 20 0 JJADRN CC(C)[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC001437584844 1065581789 /nfs/dbraw/zinc/58/17/89/1065581789.db2.gz OVWRJFQTODVQSD-HSZRJFAPSA-N 0 0 450.000 4.780 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)c1nccs1)c1ccc(F)cc1 ZINC001360583615 1065581875 /nfs/dbraw/zinc/58/18/75/1065581875.db2.gz HANUNQFTKYXBNU-IRXDYDNUSA-N 0 0 498.653 4.909 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCc1ccc(SC)cc1 ZINC001545908012 1065582824 /nfs/dbraw/zinc/58/28/24/1065582824.db2.gz WFVIVFFZSNQYJO-UGKGYDQZSA-N 0 0 455.672 4.930 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCc1ccc(SC)cc1 ZINC001545908009 1065582918 /nfs/dbraw/zinc/58/29/18/1065582918.db2.gz WFVIVFFZSNQYJO-DENIHFKCSA-N 0 0 455.672 4.930 20 0 JJADRN CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccccc2)C1 ZINC001360584097 1065583062 /nfs/dbraw/zinc/58/30/62/1065583062.db2.gz QRWXUYIXDONUKJ-PMACEKPBSA-N 0 0 467.639 4.610 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1C)Oc1ccc(Cl)cc1 ZINC001360584147 1065583512 /nfs/dbraw/zinc/58/35/12/1065583512.db2.gz RHSCZYNRLYROOK-GVDBMIGSSA-N 0 0 474.030 4.625 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NCC[S@@](=O)CC(F)(F)F)c2C1 ZINC001437604651 1065584051 /nfs/dbraw/zinc/58/40/51/1065584051.db2.gz ODWBBGYZLDLVJM-PBNKOMEISA-N 0 0 454.558 4.817 20 0 JJADRN C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C)c1nccs1 ZINC001360584513 1065584405 /nfs/dbraw/zinc/58/44/05/1065584405.db2.gz XDAJZNQAFOFHEA-GOSISDBHSA-N 0 0 498.697 4.766 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)Cc1ccccc1I ZINC001437607093 1065584614 /nfs/dbraw/zinc/58/46/14/1065584614.db2.gz NMSNUFLAJJCDHI-UHFFFAOYSA-N 0 0 459.125 4.501 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)c2c(C)nc3ccc(Br)cn32)cc1F ZINC001360584630 1065584901 /nfs/dbraw/zinc/58/49/01/1065584901.db2.gz GEWUAEMRJOEKHI-UHFFFAOYSA-N 0 0 458.287 4.993 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)[C@@H]1C)Sc1ccccc1 ZINC001360584764 1065585324 /nfs/dbraw/zinc/58/53/24/1065585324.db2.gz ZUWZKACJIUVMLS-SQNIBIBYSA-N 0 0 487.720 4.781 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001360585429 1065585412 /nfs/dbraw/zinc/58/54/12/1065585412.db2.gz CWYQDGMWHHNJRR-VWLOTQADSA-N 0 0 456.542 4.562 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)c2nc(C)ncc2Br)c1 ZINC001360584902 1065585520 /nfs/dbraw/zinc/58/55/20/1065585520.db2.gz LQAVUBZOOVTGIZ-UHFFFAOYSA-N 0 0 452.312 4.862 20 0 JJADRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1 ZINC001437627821 1065585961 /nfs/dbraw/zinc/58/59/61/1065585961.db2.gz JHBHOKQQMKJZMX-UHFFFAOYSA-N 0 0 451.911 4.935 20 0 JJADRN C[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br)c1nccs1 ZINC001360586350 1065586481 /nfs/dbraw/zinc/58/64/81/1065586481.db2.gz DLUPGAZARDYVQM-LLVKDONJSA-N 0 0 462.352 4.584 20 0 JJADRN C[C@H](Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C)Oc1ccc(F)cc1 ZINC001360586281 1065586577 /nfs/dbraw/zinc/58/65/77/1065586577.db2.gz CORXDAJPNYVLDM-MRXNPFEDSA-N 0 0 488.995 4.673 20 0 JJADRN C[C@H](Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)Oc1ccccc1 ZINC001360586242 1065586695 /nfs/dbraw/zinc/58/66/95/1065586695.db2.gz CWQHGPFJNUZIFD-OPAMFIHVSA-N 0 0 454.537 4.573 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001437635051 1065587175 /nfs/dbraw/zinc/58/71/75/1065587175.db2.gz CIFUAVUTOCPXCM-KRWDZBQOSA-N 0 0 459.589 4.969 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC001437651045 1065588281 /nfs/dbraw/zinc/58/82/81/1065588281.db2.gz DVYZOPQSIZEUQE-UHFFFAOYSA-N 0 0 457.290 4.605 20 0 JJADRN C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1)Oc1ccccc1 ZINC001360587430 1065589256 /nfs/dbraw/zinc/58/92/56/1065589256.db2.gz MZOFGQSHYMCPPM-XNTOXWQXSA-N 0 0 469.630 4.609 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1)c1nccs1 ZINC001360587782 1065589693 /nfs/dbraw/zinc/58/96/93/1065589693.db2.gz PMEYVLYTJMEFHV-INIZCTEOSA-N 0 0 474.059 4.817 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1c(Br)ncc2ccccc21)NC(C)=O ZINC001437668320 1065589731 /nfs/dbraw/zinc/58/97/31/1065589731.db2.gz OJAJBNZCHCGKEZ-GOSISDBHSA-N 0 0 456.340 4.602 20 0 JJADRN C[C@H](Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001360587549 1065589814 /nfs/dbraw/zinc/58/98/14/1065589814.db2.gz REKMTDSVNAWVTF-QGZVFWFLSA-N 0 0 456.997 4.893 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001437670903 1065590172 /nfs/dbraw/zinc/59/01/72/1065590172.db2.gz YCLWDNGTLAOSFZ-SGTLLEGYSA-N 0 0 454.748 4.587 20 0 JJADRN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)/C(C)=C\C1CCC(C)CC1 ZINC001437669827 1065590446 /nfs/dbraw/zinc/59/04/46/1065590446.db2.gz VRDKXYGFHVDNRB-ZLGNFKMMSA-N 0 0 452.389 4.903 20 0 JJADRN CSc1nc2ccccc2c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001437672314 1065590963 /nfs/dbraw/zinc/59/09/63/1065590963.db2.gz LMHADPSDTNMGNF-UHFFFAOYSA-N 0 0 455.605 4.692 20 0 JJADRN C[C@@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 ZINC001360588018 1065591159 /nfs/dbraw/zinc/59/11/59/1065591159.db2.gz WLGTZXSMRBVNEG-AZUAARDMSA-N 0 0 493.656 4.560 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001545908799 1065591391 /nfs/dbraw/zinc/59/13/91/1065591391.db2.gz OCNLNTAXMDUVRF-UXEORXRVSA-N 0 0 460.615 4.512 20 0 JJADRN C[C@@H](Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C(C)(C)C)Oc1cccc(F)c1 ZINC001360588186 1065591709 /nfs/dbraw/zinc/59/17/09/1065591709.db2.gz XJOQEASLISHGLW-ROUUACIJSA-N 0 0 475.609 4.628 20 0 JJADRN COc1cccc(NC(=O)c2csc(I)c2Br)c1C ZINC001437690851 1065592016 /nfs/dbraw/zinc/59/20/16/1065592016.db2.gz FKVMTBDKUNTSON-UHFFFAOYSA-N 0 0 452.111 4.685 20 0 JJADRN Cc1cc(Br)c(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)s1 ZINC001437691951 1065592101 /nfs/dbraw/zinc/59/21/01/1065592101.db2.gz HXAWIXNAEMSIJU-IBGZPJMESA-N 0 0 455.377 4.946 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)CCCC[C@H]12 ZINC001437692114 1065592162 /nfs/dbraw/zinc/59/21/62/1065592162.db2.gz FIPUXDWIZUMFBG-HHJKRLRDSA-N 0 0 477.646 4.605 20 0 JJADRN C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1)c1nccs1 ZINC001360588474 1065592408 /nfs/dbraw/zinc/59/24/08/1065592408.db2.gz XBBYCIPLHXUUMY-HZPDHXFCSA-N 0 0 464.060 4.957 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C(=O)c3ccc(Br)cc3)CC1)[C@H](C)C2 ZINC001437694292 1065592628 /nfs/dbraw/zinc/59/26/28/1065592628.db2.gz KPVUSPUQQULXFS-ZHRRBRCNSA-N 0 0 455.396 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCCc2ccccc2Br)C12CCC2 ZINC001437695264 1065592708 /nfs/dbraw/zinc/59/27/08/1065592708.db2.gz IZARBNHJWZBXRH-GOSISDBHSA-N 0 0 451.405 4.820 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3C)n2)cc(Cl)c1OC ZINC001437697763 1065593198 /nfs/dbraw/zinc/59/31/98/1065593198.db2.gz WRKULBHTNHNTDW-PEBXRYMYSA-N 0 0 455.942 4.698 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)CCCOc1ccc(I)cc1 ZINC001360588739 1065593314 /nfs/dbraw/zinc/59/33/14/1065593314.db2.gz DQBQEQORCLXPNG-IBGZPJMESA-N 0 0 452.336 4.845 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC001360589704 1065593819 /nfs/dbraw/zinc/59/38/19/1065593819.db2.gz ORBQKUYRJZQBFU-UHFFFAOYSA-N 0 0 454.958 4.625 20 0 JJADRN O=C(NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cccc(OCC(F)(F)F)c1 ZINC001437702584 1065594068 /nfs/dbraw/zinc/59/40/68/1065594068.db2.gz XWDAIGGBTASVIK-QFIPXVFZSA-N 0 0 454.448 4.755 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1nccs1 ZINC001360590003 1065594362 /nfs/dbraw/zinc/59/43/62/1065594362.db2.gz BLRDKEWMOCXYGV-AKHDSKFASA-N 0 0 490.674 4.519 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C)Oc1ccccc1 ZINC001360590352 1065595034 /nfs/dbraw/zinc/59/50/34/1065595034.db2.gz IBDCBUMWOCZDLI-LRXVAGHRSA-N 0 0 487.048 4.688 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc1 ZINC001437717293 1065595188 /nfs/dbraw/zinc/59/51/88/1065595188.db2.gz QXIIBBCQSXDCKW-UHFFFAOYSA-N 0 0 454.924 4.768 20 0 JJADRN COc1ccc(OC)c(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)c1 ZINC001437715053 1065595200 /nfs/dbraw/zinc/59/52/00/1065595200.db2.gz KXJCIKZIKWLDLX-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1nccs1)Oc1ccccc1 ZINC001360590382 1065595706 /nfs/dbraw/zinc/59/57/06/1065595706.db2.gz IMZHRMPTIUQFMF-CZTZKLFOSA-N 0 0 469.655 4.800 20 0 JJADRN C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1)Oc1ccccc1F ZINC001360590386 1065595741 /nfs/dbraw/zinc/59/57/41/1065595741.db2.gz IOGIMQGOSBTOFL-ICSRJNTNSA-N 0 0 471.577 4.723 20 0 JJADRN CCc1nc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)nn1-c1c(Cl)cccc1Cl ZINC001437731242 1065596404 /nfs/dbraw/zinc/59/64/04/1065596404.db2.gz VUFMVEOCEOCKLK-CVEARBPZSA-N 0 0 451.398 4.993 20 0 JJADRN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360590900 1065596964 /nfs/dbraw/zinc/59/69/64/1065596964.db2.gz SJHBXXFBBFFBNN-RZUBCFFCSA-N 0 0 469.630 4.627 20 0 JJADRN C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)c1nccs1 ZINC001360590800 1065596990 /nfs/dbraw/zinc/59/69/90/1065596990.db2.gz QRNWPWKMEHKJJR-KURKYZTESA-N 0 0 490.674 4.614 20 0 JJADRN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccc(Cl)cc1 ZINC001360590972 1065597516 /nfs/dbraw/zinc/59/75/16/1065597516.db2.gz UEBOEZRGKILKDZ-KBXCAEBGSA-N 0 0 486.922 4.598 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001437740056 1065597667 /nfs/dbraw/zinc/59/76/67/1065597667.db2.gz ZMGJBRDSCXLTRE-UXHICEINSA-N 0 0 451.355 4.969 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)F)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001437740060 1065597696 /nfs/dbraw/zinc/59/76/96/1065597696.db2.gz ZMGJBRDSCXLTRE-WOJBJXKFSA-N 0 0 451.355 4.969 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(F)F)c1ccc(F)cc1 ZINC001437744422 1065598754 /nfs/dbraw/zinc/59/87/54/1065598754.db2.gz RQYWUDQYIBECRX-UXHICEINSA-N 0 0 450.501 4.817 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H](CCc1ccccc1)C(F)F)c1ccc(F)cc1 ZINC001437744425 1065598873 /nfs/dbraw/zinc/59/88/73/1065598873.db2.gz RQYWUDQYIBECRX-VQTJNVASSA-N 0 0 450.501 4.817 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C)c1ccc(F)cc1F ZINC001437746295 1065599289 /nfs/dbraw/zinc/59/92/89/1065599289.db2.gz NSTQJCKKHNHPNL-LEWJYISDSA-N 0 0 450.913 4.564 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n(-c2ccccc2)n1 ZINC001545909215 1065599509 /nfs/dbraw/zinc/59/95/09/1065599509.db2.gz YTEUXTLJEVKYDF-AVRDEDQJSA-N 0 0 456.631 4.803 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC001437748672 1065600019 /nfs/dbraw/zinc/60/00/19/1065600019.db2.gz LYNNFCPYPHGMMY-HUUCEWRRSA-N 0 0 480.980 4.797 20 0 JJADRN CC(C)COc1ncc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)cc1Cl ZINC001437750995 1065600697 /nfs/dbraw/zinc/60/06/97/1065600697.db2.gz UVFTVVAPPXBQSZ-SFHVURJKSA-N 0 0 453.764 4.746 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)c1nc2cc(Br)ccc2s1 ZINC001437750996 1065600837 /nfs/dbraw/zinc/60/08/37/1065600837.db2.gz BOLDTUBKTDJZSY-SFHVURJKSA-N 0 0 456.365 4.986 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)[C@@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)nc2)c1 ZINC001437755145 1065601316 /nfs/dbraw/zinc/60/13/16/1065601316.db2.gz YXTOCBKCSKWRCX-NBGIEHNGSA-N 0 0 452.555 4.810 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@H]1c1cccc(C)c1 ZINC001437788239 1065605301 /nfs/dbraw/zinc/60/53/01/1065605301.db2.gz CQMFQTSMZZEEPY-FYYLOGMGSA-N 0 0 451.567 4.915 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437790635 1065606796 /nfs/dbraw/zinc/60/67/96/1065606796.db2.gz HIFHNKYMUSQGCP-JPYJTQIMSA-N 0 0 452.599 4.580 20 0 JJADRN Cc1cccc([C@H]2CCCCCN2C(=O)Cn2cnc3ccc(Br)cc3c2=O)c1 ZINC001360595719 1065607597 /nfs/dbraw/zinc/60/75/97/1065607597.db2.gz DDJUVRNDEYXNKJ-OAQYLSRUSA-N 0 0 454.368 4.611 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccn(C3CCOCC3)n2)oc1-c1ccc(Br)cc1 ZINC001437791677 1065607765 /nfs/dbraw/zinc/60/77/65/1065607765.db2.gz OTZHKDMVQJKORW-UHFFFAOYSA-N 0 0 459.344 4.532 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@H](C)CCCc3ccccc3)cc2)CC1 ZINC001360595939 1065608248 /nfs/dbraw/zinc/60/82/48/1065608248.db2.gz KYKWRIPWHPEZIQ-HXUWFJFHSA-N 0 0 450.579 4.699 20 0 JJADRN C/C(=C\C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1OC(F)F ZINC001360596327 1065609087 /nfs/dbraw/zinc/60/90/87/1065609087.db2.gz WKZOWTMCJKEOAU-NTCAYCPXSA-N 0 0 452.523 4.715 20 0 JJADRN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 ZINC001437797586 1065609949 /nfs/dbraw/zinc/60/99/49/1065609949.db2.gz QCCWUJJOXVTACX-OCCSQVGLSA-N 0 0 451.415 4.509 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)cc1F ZINC001437797923 1065610074 /nfs/dbraw/zinc/61/00/74/1065610074.db2.gz RUFOSBPCUDPHNK-INIZCTEOSA-N 0 0 459.477 4.937 20 0 JJADRN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 ZINC001437797575 1065610118 /nfs/dbraw/zinc/61/01/18/1065610118.db2.gz QCCWUJJOXVTACX-GXTWGEPZSA-N 0 0 451.415 4.509 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CC(C)(C)c2ccc(Br)cc21)c1c(F)cccc1F ZINC001437799488 1065610862 /nfs/dbraw/zinc/61/08/62/1065610862.db2.gz BOCSBNVKPAEJFF-QGZVFWFLSA-N 0 0 451.311 4.619 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1Cl ZINC001437800051 1065610932 /nfs/dbraw/zinc/61/09/32/1065610932.db2.gz XRXAGHLEYIFHOS-UHFFFAOYSA-N 0 0 459.713 4.639 20 0 JJADRN Cn1ncc(C2CCC2)c1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001437804264 1065611659 /nfs/dbraw/zinc/61/16/59/1065611659.db2.gz VSVPZCMIXKYAPT-JOCHJYFZSA-N 0 0 454.368 4.887 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437801136 1065611854 /nfs/dbraw/zinc/61/18/54/1065611854.db2.gz YPIVJDMTACZZLA-CJNGLKHVSA-N 0 0 459.812 4.797 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCC[C@@H](C)O2)ccc1OCc1ccc(Br)s1 ZINC001437801032 1065611868 /nfs/dbraw/zinc/61/18/68/1065611868.db2.gz RBEOVPRULXVGOY-UKRRQHHQSA-N 0 0 454.386 4.786 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001360597483 1065613959 /nfs/dbraw/zinc/61/39/59/1065613959.db2.gz LMKUUGDGNKETIJ-TZIWHRDSSA-N 0 0 454.640 4.874 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)Nc1c(-c2ccccc2)nc2n1CCCC2 ZINC001437817342 1065614922 /nfs/dbraw/zinc/61/49/22/1065614922.db2.gz HRNIBSKUOYXJAM-UHFFFAOYSA-N 0 0 454.368 4.847 20 0 JJADRN Cn1ccnc1C(NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nccn1C ZINC001437816011 1065614932 /nfs/dbraw/zinc/61/49/32/1065614932.db2.gz BXDOJGBQJOUMTM-UHFFFAOYSA-N 0 0 456.333 4.772 20 0 JJADRN 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JJADRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1C(=O)c1ccc(F)cc1 ZINC001438069068 1065664876 /nfs/dbraw/zinc/66/48/76/1065664876.db2.gz FGYCTKFAJLVTHD-UHFFFAOYSA-N 0 0 450.857 4.726 20 0 JJADRN C[C@@H](COCc1ccccc1)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001360615988 1065664988 /nfs/dbraw/zinc/66/49/88/1065664988.db2.gz WWVAKQLEWFZBAW-RTBURBONSA-N 0 0 470.017 4.850 20 0 JJADRN O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cccnc1C(=O)c1ccc(F)cc1 ZINC001438074762 1065665812 /nfs/dbraw/zinc/66/58/12/1065665812.db2.gz RCIZEBNIMYXGLV-UHFFFAOYSA-N 0 0 452.283 4.877 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(Cl)c3c(c2)OCCCO3)[C@H]1C ZINC001438071187 1065665867 /nfs/dbraw/zinc/66/58/67/1065665867.db2.gz KYOUQVRXUSWXTK-HLLBOEOZSA-N 0 0 452.979 4.655 20 0 JJADRN CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001438075628 1065666683 /nfs/dbraw/zinc/66/66/83/1065666683.db2.gz DURWDTIFXZYLCO-VEYUFSJPSA-N 0 0 456.671 4.840 20 0 JJADRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[C@@H]1C ZINC001438087239 1065667727 /nfs/dbraw/zinc/66/77/27/1065667727.db2.gz NGTCAWJVDZRZCE-YVTWGWGSSA-N 0 0 450.526 4.636 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c(Cl)c(C)cnc34)CC2)cc1 ZINC001438086261 1065667755 /nfs/dbraw/zinc/66/77/55/1065667755.db2.gz CBNKGZONCANUBS-UHFFFAOYSA-N 0 0 457.983 4.544 20 0 JJADRN COc1cccc(/C=C(\C(=O)Nc2cccc(CCCc3ccccc3)c2)n2nnnc2C)c1 ZINC001360624862 1065669078 /nfs/dbraw/zinc/66/90/78/1065669078.db2.gz BJQKJXJFTPCOCR-LGUFXXKBSA-N 0 0 453.546 4.802 20 0 JJADRN CC(F)(F)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001360626207 1065670432 /nfs/dbraw/zinc/67/04/32/1065670432.db2.gz DKWWPKSGLAYGSD-LBPRGKRZSA-N 0 0 486.283 4.629 20 0 JJADRN CC(F)(F)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)c1 ZINC001360626225 1065670551 /nfs/dbraw/zinc/67/05/51/1065670551.db2.gz DTOJPLZUAZXGOQ-UHFFFAOYSA-N 0 0 493.345 4.985 20 0 JJADRN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001438097684 1065670718 /nfs/dbraw/zinc/67/07/18/1065670718.db2.gz CYSBSSAEKSPERS-DLBZAZTESA-N 0 0 455.395 4.646 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)Cc2ccccc2OCc2ccncc2)CCCCC1 ZINC001438102201 1065671561 /nfs/dbraw/zinc/67/15/61/1065671561.db2.gz YVRHWIQHYWGAHQ-UHFFFAOYSA-N 0 0 453.583 4.547 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc(I)c(Cl)cc1Cl ZINC001438101205 1065671669 /nfs/dbraw/zinc/67/16/69/1065671669.db2.gz KAANEUCDNDLSLR-CABCVRRESA-N 0 0 454.135 4.676 20 0 JJADRN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc(I)c(Cl)cc1Cl ZINC001438101208 1065671776 /nfs/dbraw/zinc/67/17/76/1065671776.db2.gz KAANEUCDNDLSLR-GJZGRUSLSA-N 0 0 454.135 4.676 20 0 JJADRN CC(F)(F)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccs2)CC1 ZINC001360626660 1065672179 /nfs/dbraw/zinc/67/21/79/1065672179.db2.gz QMKNDQCZDXJEFJ-UHFFFAOYSA-N 0 0 452.962 4.817 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001438107064 1065672273 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XQGDZNSGLSYBRO-HNNXBMFYSA-N 0 0 453.965 4.775 20 0 JJADRN COc1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1I ZINC001438123240 1065675015 /nfs/dbraw/zinc/67/50/15/1065675015.db2.gz NZWBPDIMNYDXPX-CYBMUJFWSA-N 0 0 454.304 4.970 20 0 JJADRN COc1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1I ZINC001438123244 1065675153 /nfs/dbraw/zinc/67/51/53/1065675153.db2.gz NZWBPDIMNYDXPX-ZDUSSCGKSA-N 0 0 454.304 4.970 20 0 JJADRN CC(F)(F)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360628761 1065675689 /nfs/dbraw/zinc/67/56/89/1065675689.db2.gz GWXGBSNJXQKMFE-AZUAARDMSA-N 0 0 468.976 4.821 20 0 JJADRN CC(F)(F)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001360628764 1065675716 /nfs/dbraw/zinc/67/57/16/1065675716.db2.gz GWXGBSNJXQKMFE-UYAOXDASSA-N 0 0 468.976 4.821 20 0 JJADRN CCc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1S(C)(=O)=O ZINC001360628382 1065675773 /nfs/dbraw/zinc/67/57/73/1065675773.db2.gz XCQZEINCGXEGKQ-QHCPKHFHSA-N 0 0 457.979 4.834 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001438134530 1065676876 /nfs/dbraw/zinc/67/68/76/1065676876.db2.gz DVPBUCSCWIIHMA-SNVBAGLBSA-N 0 0 454.111 4.697 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC001438132169 1065677137 /nfs/dbraw/zinc/67/71/37/1065677137.db2.gz ZUTWVFXDMZNLAT-CYBMUJFWSA-N 0 0 452.488 4.696 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCc4ccc(F)cc4C3)n2CCC(C)(F)F)C1 ZINC001360630198 1065677269 /nfs/dbraw/zinc/67/72/69/1065677269.db2.gz AZJUTUBHJVVVAT-UWUNEBHHSA-N 0 0 479.547 4.796 20 0 JJADRN CC(C)c1ccc(-c2nc(CC(=O)NCc3ccnc(N4CCSCC4)c3)cs2)cc1 ZINC001438138347 1065677815 /nfs/dbraw/zinc/67/78/15/1065677815.db2.gz RNUIOIOMNFJREJ-UHFFFAOYSA-N 0 0 452.649 4.741 20 0 JJADRN O=C(Cc1cccc(I)c1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001438140927 1065677937 /nfs/dbraw/zinc/67/79/37/1065677937.db2.gz NCSMPOMSMTZJEI-UHFFFAOYSA-N 0 0 453.629 4.822 20 0 JJADRN CC(F)(F)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001360630418 1065678011 /nfs/dbraw/zinc/67/80/11/1065678011.db2.gz KMQUFUHLPMCLKM-UHFFFAOYSA-N 0 0 451.606 4.675 20 0 JJADRN CC(C)(C)c1ccc(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCC(C)(F)F)cc1 ZINC001360630295 1065678030 /nfs/dbraw/zinc/67/80/30/1065678030.db2.gz GBCNCKYLGMTVIG-VSOVRNOCSA-N 0 0 462.585 4.797 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCC(C)(F)F)C1 ZINC001360630278 1065678091 /nfs/dbraw/zinc/67/80/91/1065678091.db2.gz FOKZLLJZPHGAOG-IBGZPJMESA-N 0 0 493.599 4.686 20 0 JJADRN O=C(COc1ccccc1C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1)Nc1ccccc1F ZINC001438144216 1065678937 /nfs/dbraw/zinc/67/89/37/1065678937.db2.gz VJNYQWJIPYLVIZ-UAPYVXQJSA-N 0 0 450.535 4.896 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)c(C)c12 ZINC001438144155 1065678950 /nfs/dbraw/zinc/67/89/50/1065678950.db2.gz YQHVOQSXSWVRPD-UHFFFAOYSA-N 0 0 454.880 4.515 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)cc2)c1 ZINC001438146801 1065679498 /nfs/dbraw/zinc/67/94/98/1065679498.db2.gz IEHCWJRFGSISEA-HSZRJFAPSA-N 0 0 450.922 4.783 20 0 JJADRN CO[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1C(F)(F)F ZINC001360631102 1065679560 /nfs/dbraw/zinc/67/95/60/1065679560.db2.gz IOCBMAAGKGVBFM-BTYIYWSLSA-N 0 0 457.452 4.918 20 0 JJADRN C[C@@H](CC1CCC1)NC(=O)COc1c(I)cc(Cl)c2cccnc21 ZINC001438149094 1065680607 /nfs/dbraw/zinc/68/06/07/1065680607.db2.gz ILTSWHJRODZCJQ-NSHDSACASA-N 0 0 458.727 4.567 20 0 JJADRN CSc1nc(C)c(CCC(=O)N(Cc2cccs2)Cc2ccc3[nH]ccc3c2)c(=O)[nH]1 ZINC001438149494 1065680792 /nfs/dbraw/zinc/68/07/92/1065680792.db2.gz YWHFICPSYXMTIN-UHFFFAOYSA-N 0 0 452.605 4.917 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3cnc(-c4ccccc4Cl)nc3)C[C@@]2(C)C1 ZINC001438149354 1065680809 /nfs/dbraw/zinc/68/08/09/1065680809.db2.gz XHHKDOOVHQQKMY-PSWAGMNNSA-N 0 0 456.974 4.516 20 0 JJADRN C[C@@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631469 1065681266 /nfs/dbraw/zinc/68/12/66/1065681266.db2.gz RSHMADXPUOIFPI-VGOFRKELSA-N 0 0 451.567 4.659 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631744 1065681386 /nfs/dbraw/zinc/68/13/86/1065681386.db2.gz ZEMKCAHLKXZGOR-HNNXBMFYSA-N 0 0 450.470 4.532 20 0 JJADRN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001438153447 1065681351 /nfs/dbraw/zinc/68/13/51/1065681351.db2.gz SQAHNDZTHBBVMJ-CTYIDZIISA-N 0 0 452.889 4.993 20 0 JJADRN O=C(Oc1cc(Cl)cnc1I)c1ccccc1Oc1ccncc1 ZINC001438152864 1065681389 /nfs/dbraw/zinc/68/13/89/1065681389.db2.gz RCSTWSHJZNLSCD-UHFFFAOYSA-N 0 0 452.635 4.746 20 0 JJADRN COc1cc(C2(C(=O)Oc3cc(Cl)cnc3I)CCC2)ccc1C ZINC001438152899 1065681459 /nfs/dbraw/zinc/68/14/59/1065681459.db2.gz RHTUKFNJQAPNPJ-UHFFFAOYSA-N 0 0 457.695 4.684 20 0 JJADRN C[C@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001360631467 1065681439 /nfs/dbraw/zinc/68/14/39/1065681439.db2.gz RSHMADXPUOIFPI-HTAPYJJXSA-N 0 0 451.567 4.659 20 0 JJADRN C[C@@H](N1CCN(c2nnc(C(C)(C)C)n2CCCc2nc3c(s2)CCCC3)CC1)C(F)(F)F ZINC001360631781 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CCOC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CCc2ccccc21 ZINC001360686661 1065735959 /nfs/dbraw/zinc/73/59/59/1065735959.db2.gz FGMDTEIRIYLZJB-HSZRJFAPSA-N 0 0 458.345 4.622 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2oc3c(cc(Br)cc3C)c2C)CCc2ccccc21 ZINC001360687127 1065736263 /nfs/dbraw/zinc/73/62/63/1065736263.db2.gz VNRIVEICMXJLFI-QHCPKHFHSA-N 0 0 456.336 4.947 20 0 JJADRN Cn1cc(-c2cccc(C(=O)Nc3ccc(CCn4cc(Br)cn4)cc3)c2)cn1 ZINC001360686900 1065736292 /nfs/dbraw/zinc/73/62/92/1065736292.db2.gz NDOXJIIDTMZNMV-UHFFFAOYSA-N 0 0 450.340 4.541 20 0 JJADRN Nc1cc(F)c(Br)cc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545917355 1065736315 /nfs/dbraw/zinc/73/63/15/1065736315.db2.gz FQHUULUMOQNFHR-QMMMGPOBSA-N 0 0 452.271 4.666 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CCc2ccccc21 ZINC001360687056 1065736337 /nfs/dbraw/zinc/73/63/37/1065736337.db2.gz SWVFPJJCHBKXOB-OWJWWREXSA-N 0 0 454.979 4.890 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360686967 1065736477 /nfs/dbraw/zinc/73/64/77/1065736477.db2.gz PQEZRAUQMXOCPU-UHFFFAOYSA-N 0 0 450.695 4.640 20 0 JJADRN Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)c(I)cc1Cl ZINC001438616811 1065736404 /nfs/dbraw/zinc/73/64/04/1065736404.db2.gz CXTZOKZXUXRBPN-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001438618058 1065736479 /nfs/dbraw/zinc/73/64/79/1065736479.db2.gz BESBFBCJYMBUMB-OFNKIYASSA-N 0 0 459.359 4.541 20 0 JJADRN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001545917387 1065736970 /nfs/dbraw/zinc/73/69/70/1065736970.db2.gz GJDRMIFXSWODFJ-WFASDCNBSA-N 0 0 457.905 4.574 20 0 JJADRN O=C(c1ccc(Br)cc1)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001438618061 1065737138 /nfs/dbraw/zinc/73/71/38/1065737138.db2.gz BESBFBCJYMBUMB-REWPJTCUSA-N 0 0 459.359 4.541 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001360691889 1065737397 /nfs/dbraw/zinc/73/73/97/1065737397.db2.gz AGJITKNCHRPERL-GOSISDBHSA-N 0 0 452.860 4.927 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC001360691950 1065737444 /nfs/dbraw/zinc/73/74/44/1065737444.db2.gz BXCJWMFBYDQILD-MGPUTAFESA-N 0 0 457.368 4.507 20 0 JJADRN Cc1cccc([C@@H](C)CNC(=O)c2ccc(Br)cc2I)c1 ZINC001360692522 1065737492 /nfs/dbraw/zinc/73/74/92/1065737492.db2.gz RMLBEPGFLJUMGQ-LBPRGKRZSA-N 0 0 458.137 4.896 20 0 JJADRN Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC001360692441 1065737506 /nfs/dbraw/zinc/73/75/06/1065737506.db2.gz PXDGHKKHKMQFPS-LJQANCHMSA-N 0 0 457.368 4.634 20 0 JJADRN CCCCCC[C@@H](C)N(C(=O)c1cc(Br)n(C)n1)c1ccccc1C(=O)OC ZINC001360692620 1065738099 /nfs/dbraw/zinc/73/80/99/1065738099.db2.gz UZRPYHUPVJNRHE-OAHLLOKOSA-N 0 0 450.377 4.975 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CCC3(C)C)c2c1 ZINC001438629480 1065738116 /nfs/dbraw/zinc/73/81/16/1065738116.db2.gz DNTJZDCGBWORBC-UHFFFAOYSA-N 0 0 453.583 4.982 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)C2)cc1 ZINC001360696882 1065738552 /nfs/dbraw/zinc/73/85/52/1065738552.db2.gz QLRPHSXUKIXGFC-GOSISDBHSA-N 0 0 456.468 4.690 20 0 JJADRN CCc1nc(COc2ccc(C(=O)N(c3ccc(Cl)cc3C)[C@H]3CCO[C@@H]3C)cc2)no1 ZINC001438632754 1065738738 /nfs/dbraw/zinc/73/87/38/1065738738.db2.gz JTIYMEYJMDKNGF-IERDGZPVSA-N 0 0 455.942 4.997 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)c1cc2c(c(Br)c1)OCO2)[C@H]1CCO[C@H]1C ZINC001438636681 1065739047 /nfs/dbraw/zinc/73/90/47/1065739047.db2.gz QAOXJYMYALWZPH-SJCJKPOMSA-N 0 0 452.732 4.964 20 0 JJADRN C[C@@H](NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC001360701313 1065739822 /nfs/dbraw/zinc/73/98/22/1065739822.db2.gz OKPZTEQBQLGLRA-QGZVFWFLSA-N 0 0 453.926 4.774 20 0 JJADRN CC[C@H](C)[C@H](C(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC001438642562 1065739904 /nfs/dbraw/zinc/73/99/04/1065739904.db2.gz JYFLOQWYTUQIDU-QMHKHESXSA-N 0 0 458.489 4.706 20 0 JJADRN O=C(Cc1ccc(I)cc1)Oc1c(Cl)cccc1Br ZINC001438653628 1065740352 /nfs/dbraw/zinc/74/03/52/1065740352.db2.gz PPAKEUVSWVEVRA-UHFFFAOYSA-N 0 0 451.485 4.855 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)n2)cc1 ZINC001360701890 1065740183 /nfs/dbraw/zinc/74/01/83/1065740183.db2.gz MNGCYQJRBWELOH-QGZVFWFLSA-N 0 0 453.655 4.638 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@@H]3CCC(=O)N(c4ccc(C)c(C)c4)C3)cs2)cc1 ZINC001360701726 1065740233 /nfs/dbraw/zinc/74/02/33/1065740233.db2.gz GBWARXBXEWKYGO-LJQANCHMSA-N 0 0 450.560 4.922 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(SC)cc4)ns3)CC2=O)cc1 ZINC001360701845 1065740320 /nfs/dbraw/zinc/74/03/20/1065740320.db2.gz KVWQVJZUQTUZOE-QGZVFWFLSA-N 0 0 452.605 4.871 20 0 JJADRN CN(C(=O)[C@H]1CN(C)C(=O)c2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001360703086 1065740924 /nfs/dbraw/zinc/74/09/24/1065740924.db2.gz CHKYAOXDMZEAHH-FQEVSTJZSA-N 0 0 455.436 4.725 20 0 JJADRN CC[C@](C)(NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1nc(C)cs1 ZINC001360703303 1065741263 /nfs/dbraw/zinc/74/12/63/1065741263.db2.gz HFWKJXVNKVKFHW-XCLFUZPHSA-N 0 0 450.655 4.842 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C)c(C(=O)c2ccccc2)c1 ZINC001438661511 1065741292 /nfs/dbraw/zinc/74/12/92/1065741292.db2.gz FVGCNVBHKVHWMD-VWLOTQADSA-N 0 0 457.505 4.532 20 0 JJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccn(CCC(F)(F)F)n1 ZINC001360703596 1065741295 /nfs/dbraw/zinc/74/12/95/1065741295.db2.gz KIRASGZSSYRJET-UHFFFAOYSA-N 0 0 457.431 4.757 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3)cc2)nn1 ZINC001360703288 1065741424 /nfs/dbraw/zinc/74/14/24/1065741424.db2.gz GLQAYLCGTNOTEA-UHFFFAOYSA-N 0 0 450.296 4.778 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(C(=O)c2ccc([C@@H]3CCCOC3)cc2)C1 ZINC001438667808 1065741885 /nfs/dbraw/zinc/74/18/85/1065741885.db2.gz YFEGGLZMNKQTPX-WMZHIEFXSA-N 0 0 450.579 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001438678644 1065742507 /nfs/dbraw/zinc/74/25/07/1065742507.db2.gz JCXXBOMTTFYHSG-RDGPPVDQSA-N 0 0 454.489 4.689 20 0 JJADRN COC[C@@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1cccc(Br)c1 ZINC001438683293 1065742901 /nfs/dbraw/zinc/74/29/01/1065742901.db2.gz KRLKFOJFPYPYEI-LJQANCHMSA-N 0 0 457.372 4.579 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)Oc2cccc(C)c2)[C@@H]1c1ccccc1OC ZINC001360710455 1065743146 /nfs/dbraw/zinc/74/31/46/1065743146.db2.gz MPMUSYBJPRXEPI-CHZKFRDHSA-N 0 0 452.595 4.667 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001360710777 1065743167 /nfs/dbraw/zinc/74/31/67/1065743167.db2.gz QSJVFVQIXUIADZ-OAHLLOKOSA-N 0 0 455.908 4.862 20 0 JJADRN COC[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(Br)c1 ZINC001438684548 1065743463 /nfs/dbraw/zinc/74/34/63/1065743463.db2.gz MGOQTFWIGOECON-GOSISDBHSA-N 0 0 459.365 4.880 20 0 JJADRN Cn1c(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc2cc(C(F)(F)F)ccc21 ZINC001438686482 1065743579 /nfs/dbraw/zinc/74/35/79/1065743579.db2.gz SLRNNADJZBQSMN-QZTJIDSGSA-N 0 0 451.489 4.811 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2scnc2Br)n1C ZINC001360711058 1065743752 /nfs/dbraw/zinc/74/37/52/1065743752.db2.gz WLGHLYJOAATZTC-UHFFFAOYSA-N 0 0 456.163 4.629 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(O[C@@H](C)CC)n2)[C@@H]1c1ccc(OC)cc1 ZINC001438692450 1065744046 /nfs/dbraw/zinc/74/40/46/1065744046.db2.gz GAYBYLQJYNJNEY-HMHJJOSWSA-N 0 0 453.583 4.986 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)n1 ZINC001438690079 1065744099 /nfs/dbraw/zinc/74/40/99/1065744099.db2.gz DSEJIEPAECTJGK-UZLBHIALSA-N 0 0 452.555 4.815 20 0 JJADRN COC(=O)c1cc(OC(=O)CSc2cc(C)c(Br)cc2C)ccc1N(C)C ZINC001438692264 1065744679 /nfs/dbraw/zinc/74/46/79/1065744679.db2.gz ODGAGXLQFHJABB-UHFFFAOYSA-N 0 0 452.370 4.616 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC001438699987 1065745205 /nfs/dbraw/zinc/74/52/05/1065745205.db2.gz XIOOCRBMENCSEY-DEOSSOPVSA-N 0 0 453.608 4.727 20 0 JJADRN CCc1ccc([C@@H](COC)NC(=O)Cc2csc(-c3sccc3Br)n2)o1 ZINC001360716044 1065745231 /nfs/dbraw/zinc/74/52/31/1065745231.db2.gz KVVUGGZWHACZBV-CQSZACIVSA-N 0 0 455.399 4.836 20 0 JJADRN CC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(C)(C)c1ccccc1 ZINC001360717254 1065745549 /nfs/dbraw/zinc/74/55/49/1065745549.db2.gz GIYNDSVAORITOG-DEOSSOPVSA-N 0 0 456.652 4.666 20 0 JJADRN CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001438716278 1065745749 /nfs/dbraw/zinc/74/57/49/1065745749.db2.gz AYKOCWPKEYXUMF-HKUYNNGSSA-N 0 0 452.542 4.814 20 0 JJADRN Cc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1Br ZINC001360717816 1065746095 /nfs/dbraw/zinc/74/60/95/1065746095.db2.gz ZFUARFDFJLRCAO-UHFFFAOYSA-N 0 0 455.396 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cnc(-c3ccccc3Cl)nc2)C1 ZINC001438718228 1065746284 /nfs/dbraw/zinc/74/62/84/1065746284.db2.gz GDGCDKRDPZPSJK-UZLBHIALSA-N 0 0 456.974 4.659 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2sc(-c3c(C)noc3C)nc2C)c1 ZINC001360721005 1065746581 /nfs/dbraw/zinc/74/65/81/1065746581.db2.gz GTFPGCXITZTVQU-UHFFFAOYSA-N 0 0 450.520 4.849 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(Br)cc(OC)c1 ZINC001360720828 1065746633 /nfs/dbraw/zinc/74/66/33/1065746633.db2.gz CGPCWCPAKRTBAR-UHFFFAOYSA-N 0 0 457.118 4.649 20 0 JJADRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC001360720788 1065746704 /nfs/dbraw/zinc/74/67/04/1065746704.db2.gz AWYZQWHTINOCIY-UHFFFAOYSA-N 0 0 454.548 4.881 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)CCCc1ccc(OC)cc1OC ZINC001360721139 1065746769 /nfs/dbraw/zinc/74/67/69/1065746769.db2.gz KVUKZCGFOSFPMK-UHFFFAOYSA-N 0 0 450.329 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(Br)c2Cl)C1 ZINC001438722305 1065746764 /nfs/dbraw/zinc/74/67/64/1065746764.db2.gz OBWMCLVCIZKJKN-BBRMVZONSA-N 0 0 457.796 4.964 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC2CCOCC2)CC1)C(F)(F)F ZINC001360721935 1065747686 /nfs/dbraw/zinc/74/76/86/1065747686.db2.gz HKDMLXJKNYLRSP-DEOSSOPVSA-N 0 0 498.565 4.745 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCO2)CC1)C(F)(F)F ZINC001360721887 1065747719 /nfs/dbraw/zinc/74/77/19/1065747719.db2.gz GQJDTVWIOGOJFN-QRWLVFNGSA-N 0 0 493.357 4.961 20 0 JJADRN COCCC1(NC(=O)c2cc3c(s2)CCCCCC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC001438744344 1065748410 /nfs/dbraw/zinc/74/84/10/1065748410.db2.gz IHBLQZXNYBADRS-UHFFFAOYSA-N 0 0 450.645 4.943 20 0 JJADRN COC(=O)C[C@H](NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C)c1cccc(C)c1 ZINC001438739386 1065748483 /nfs/dbraw/zinc/74/84/83/1065748483.db2.gz XFRWRPVVADEERP-DEOSSOPVSA-N 0 0 454.530 4.585 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(C3CCC3)n2CCOc2ccc(F)c(Cl)c2)CC1)C(F)(F)F ZINC001360722110 1065748383 /nfs/dbraw/zinc/74/83/83/1065748383.db2.gz KBXWWMJOWOKGNS-OAQYLSRUSA-N 0 0 490.929 4.947 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2CF)CC1)C(F)(F)F ZINC001360722541 1065749214 /nfs/dbraw/zinc/74/92/14/1065749214.db2.gz RESBBMNSLSTTLH-JOKNJTHLSA-N 0 0 491.327 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CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 ZINC001360740130 1065773126 /nfs/dbraw/zinc/77/31/26/1065773126.db2.gz BWHMHYUIYMPRDJ-SFHVURJKSA-N 0 0 490.601 4.533 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN(C)C(=O)C[C@@H]2CCCS(=O)(=O)C2)ccc1F ZINC001438973265 1065773080 /nfs/dbraw/zinc/77/30/80/1065773080.db2.gz KUOVYFMOVFRMIN-INIZCTEOSA-N 0 0 453.963 4.753 20 0 JJADRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001438978844 1065773671 /nfs/dbraw/zinc/77/36/71/1065773671.db2.gz ZGCFKHBPAYZHKD-QFIPXVFZSA-N 0 0 457.864 4.957 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1 ZINC001360740326 1065773628 /nfs/dbraw/zinc/77/36/28/1065773628.db2.gz GBMCYZHDFZMCMZ-OXQOHEQNSA-N 0 0 464.488 4.989 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CCC34CCC4)c12 ZINC001438981619 1065774265 /nfs/dbraw/zinc/77/42/65/1065774265.db2.gz FNDVTVHZHXSHSP-UHFFFAOYSA-N 0 0 456.587 4.743 20 0 JJADRN 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IDJVEBXKEMPYKC-MSUKHRLESA-N 0 0 453.391 4.549 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C)CC2)n1CCNC(=O)c1cccs1 ZINC001360744463 1065781872 /nfs/dbraw/zinc/78/18/72/1065781872.db2.gz VHETYILDHBWWIF-KRWDZBQOSA-N 0 0 471.602 4.675 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001360744517 1065782195 /nfs/dbraw/zinc/78/21/95/1065782195.db2.gz WDXVBWYUFITKSM-PMPSAXMXSA-N 0 0 458.607 4.989 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001360744659 1065782250 /nfs/dbraw/zinc/78/22/50/1065782250.db2.gz YUIVJMVIKMEMKQ-CRICUBBOSA-N 0 0 460.594 4.502 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC1CCCCC1 ZINC001360744657 1065782317 /nfs/dbraw/zinc/78/23/17/1065782317.db2.gz YRJVGXZMYZBIRC-IBGZPJMESA-N 0 0 471.621 4.832 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CC[C@@](C)(C(F)(F)F)C3)ccc21 ZINC001439071394 1065782517 /nfs/dbraw/zinc/78/25/17/1065782517.db2.gz UITJXSHQTJHYID-JOCHJYFZSA-N 0 0 453.505 4.971 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(ccc(F)c3F)c2)[C@@H]1c1ccc(OC)cc1 ZINC001439083928 1065783010 /nfs/dbraw/zinc/78/30/10/1065783010.db2.gz NJDURVIZACQLGN-DVECYGJZSA-N 0 0 453.489 4.850 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2cnc3ccccc3c2Br)C1 ZINC001439081607 1065783173 /nfs/dbraw/zinc/78/31/73/1065783173.db2.gz CRPXTPGQOOSGSC-PXAZEXFGSA-N 0 0 452.324 4.531 20 0 JJADRN CC(C)c1nsc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC001439085929 1065783691 /nfs/dbraw/zinc/78/36/91/1065783691.db2.gz NFVISYLXWOPKDY-UHFFFAOYSA-N 0 0 457.606 4.911 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC(C)(C)C2)n1CC(=O)N(C)C1CCCCC1 ZINC001360744971 1065783780 /nfs/dbraw/zinc/78/37/80/1065783780.db2.gz DZSYBYHHMGVLLL-IBGZPJMESA-N 0 0 471.621 4.975 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1Cl ZINC001439094364 1065784084 /nfs/dbraw/zinc/78/40/84/1065784084.db2.gz NKHALPVTPYBYFI-JOCHJYFZSA-N 0 0 457.933 4.635 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CC(F)(F)Br ZINC001360745594 1065785322 /nfs/dbraw/zinc/78/53/22/1065785322.db2.gz NAHLHRJNZBHNSQ-ZQIUZPCESA-N 0 0 489.336 4.550 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CC(F)(F)Br ZINC001360745592 1065785403 /nfs/dbraw/zinc/78/54/03/1065785403.db2.gz NAHLHRJNZBHNSQ-JJRVBVJISA-N 0 0 489.336 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)Cc3cc(Cl)ccc3Br)CCC[C@@H]12 ZINC001439100178 1065785859 /nfs/dbraw/zinc/78/58/59/1065785859.db2.gz VCYYUWYVWBFHFQ-UZLBHIALSA-N 0 0 457.796 4.693 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)cc1 ZINC001439103496 1065786371 /nfs/dbraw/zinc/78/63/71/1065786371.db2.gz XDPQWOXEXSAPBF-UHFFFAOYSA-N 0 0 455.532 4.528 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCC(=O)NC(C)(C)C ZINC001360745794 1065786533 /nfs/dbraw/zinc/78/65/33/1065786533.db2.gz PISOIVMTUNRXBM-FXAWDEMLSA-N 0 0 469.561 4.797 20 0 JJADRN Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1NC(=O)c1ccco1 ZINC001439104259 1065786781 /nfs/dbraw/zinc/78/67/81/1065786781.db2.gz YYUCYRJCFGVZQO-CJFMBICVSA-N 0 0 453.539 4.502 20 0 JJADRN Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1NC(=O)c1ccco1 ZINC001439104277 1065786790 /nfs/dbraw/zinc/78/67/90/1065786790.db2.gz YYUCYRJCFGVZQO-NBGIEHNGSA-N 0 0 453.539 4.502 20 0 JJADRN C[C@@H]1CCn2ncc(C(=O)N3CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001439110008 1065787549 /nfs/dbraw/zinc/78/75/49/1065787549.db2.gz BRROEIYDGZVENR-DXIQSLLYSA-N 0 0 458.647 4.791 20 0 JJADRN CCCCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H](C)c1ccccc1 ZINC001360746311 1065787970 /nfs/dbraw/zinc/78/79/70/1065787970.db2.gz AXWYCDMXAPEPNG-TZIWHRDSSA-N 0 0 455.603 4.854 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCc1ccncc1 ZINC001360746214 1065787982 /nfs/dbraw/zinc/78/79/82/1065787982.db2.gz VHKKWHBYCLQOTG-LAUBAEHRSA-N 0 0 493.505 4.743 20 0 JJADRN CC(C)[C@H]1CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOc1ncccc1F ZINC001360746684 1065788570 /nfs/dbraw/zinc/78/85/70/1065788570.db2.gz XWQBPPXYKNIJGM-LAUBAEHRSA-N 0 0 457.525 4.795 20 0 JJADRN Cc1ccn2cc(C(=O)N3CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)nc2c1 ZINC001439112007 1065788694 /nfs/dbraw/zinc/78/86/94/1065788694.db2.gz MTQXDOICNFPZDA-PZJWPPBQSA-N 0 0 454.615 4.969 20 0 JJADRN CC(C)[C@@H]1CCC[C@](NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)(C(F)(F)F)CC1 ZINC001439129301 1065791013 /nfs/dbraw/zinc/79/10/13/1065791013.db2.gz MUNKIPHIYYVGIF-VGOFRKELSA-N 0 0 455.496 4.958 20 0 JJADRN CC[C@H](C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C(F)(F)F)c1 ZINC001439131839 1065791026 /nfs/dbraw/zinc/79/10/26/1065791026.db2.gz DZRJXMCXZZXROQ-PBHGZRDXSA-N 0 0 455.517 4.985 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001439135729 1065792010 /nfs/dbraw/zinc/79/20/10/1065792010.db2.gz QVEXDOLJVLUWDD-FZKQIMNGSA-N 0 0 452.502 4.971 20 0 JJADRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1csc(-c2ccc(Br)s2)n1 ZINC001439134867 1065792059 /nfs/dbraw/zinc/79/20/59/1065792059.db2.gz OKDNRTUHARJEMD-LDYMZIIASA-N 0 0 455.321 4.864 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1csc(-c2ccc(Br)s2)n1 ZINC001439134866 1065792115 /nfs/dbraw/zinc/79/21/15/1065792115.db2.gz OKDNRTUHARJEMD-KWQFWETISA-N 0 0 455.321 4.864 20 0 JJADRN O=C(NCC1(n2cc(Br)cn2)CC1)c1cc2cc(Br)ccc2s1 ZINC001439140836 1065792584 /nfs/dbraw/zinc/79/25/84/1065792584.db2.gz LSPINQLOQVSZTL-UHFFFAOYSA-N 0 0 455.175 4.542 20 0 JJADRN CCSc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001439145415 1065792652 /nfs/dbraw/zinc/79/26/52/1065792652.db2.gz MXQIPLGIKADDHW-UHFFFAOYSA-N 0 0 454.617 4.596 20 0 JJADRN Cc1nn(CC(=O)NCCc2cnc3ccccc3c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001439147481 1065792956 /nfs/dbraw/zinc/79/29/56/1065792956.db2.gz NABZRYXWPLUJSO-UHFFFAOYSA-N 0 0 455.484 4.789 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001360749875 1065793134 /nfs/dbraw/zinc/79/31/34/1065793134.db2.gz IRDMHGMJEZCNTD-HLIPFELVSA-N 0 0 479.572 4.656 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1OC ZINC001439153311 1065793109 /nfs/dbraw/zinc/79/31/09/1065793109.db2.gz BRXBJBYJZKIRON-NHZRIVAWSA-N 0 0 452.595 4.969 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)c1cc(Cl)cc(Cl)c1F ZINC001439157789 1065793437 /nfs/dbraw/zinc/79/34/37/1065793437.db2.gz VHBBADLBNCIMOM-SECBINFHSA-N 0 0 458.118 4.967 20 0 JJADRN CN(C)[C@@H](CCNC(=O)c1ccc(COc2ccccc2Br)cc1)C(F)(F)F ZINC001439161532 1065794012 /nfs/dbraw/zinc/79/40/12/1065794012.db2.gz SYYRGAWLHKVKNL-SFHVURJKSA-N 0 0 459.306 4.641 20 0 JJADRN CCn1c(SCC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)nnc1-c1ccc(Cl)cc1Cl ZINC001439178133 1065795128 /nfs/dbraw/zinc/79/51/28/1065795128.db2.gz JVDUSYGMWSOCJU-JOYOIKCWSA-N 0 0 453.317 4.679 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC[C@@H]3CC[C@H](C(F)(F)F)O3)nn2-c2ccccc2)cc1 ZINC001439180295 1065795622 /nfs/dbraw/zinc/79/56/22/1065795622.db2.gz PYMFBOZGYRPIRH-SIKLNZKXSA-N 0 0 459.468 4.778 20 0 JJADRN O=C(CCc1cccc(Br)c1)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001439181564 1065795679 /nfs/dbraw/zinc/79/56/79/1065795679.db2.gz IQGUREMZOGPBQP-BVSLBCMMSA-N 0 0 456.380 4.895 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CCO[C@H]1CCCC[C@H]1C ZINC001360750790 1065795716 /nfs/dbraw/zinc/79/57/16/1065795716.db2.gz PNYINPAOBSVZGN-DXIQSLLYSA-N 0 0 460.594 4.768 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CCCCC1=O ZINC001360750657 1065795770 /nfs/dbraw/zinc/79/57/70/1065795770.db2.gz PAHMLNUFVDDAQE-CEXWTWQISA-N 0 0 493.574 4.687 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC001439183881 1065796063 /nfs/dbraw/zinc/79/60/63/1065796063.db2.gz HIVDDCXCQWWMHQ-JQHSSLGASA-N 0 0 467.404 4.863 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H](C)NC(=O)OC(C)(C)C ZINC001439185105 1065796116 /nfs/dbraw/zinc/79/61/16/1065796116.db2.gz ZMGMGAZNISGXGZ-MZMPZRCHSA-N 0 0 455.393 4.574 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360750791 1065796152 /nfs/dbraw/zinc/79/61/52/1065796152.db2.gz PNYINPAOBSVZGN-IPJJNNNSSA-N 0 0 460.594 4.768 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1Cc1cc(Br)cs1 ZINC001360750794 1065796177 /nfs/dbraw/zinc/79/61/77/1065796177.db2.gz POIAMDZGLNOICV-LBPRGKRZSA-N 0 0 477.363 4.907 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2ccco2)n1CC[C@@H]1COCCO1 ZINC001360750833 1065796278 /nfs/dbraw/zinc/79/62/78/1065796278.db2.gz QOOHINUTEQTMRP-ABSDTBQOSA-N 0 0 460.962 4.667 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1COCCO1 ZINC001360750835 1065796336 /nfs/dbraw/zinc/79/63/36/1065796336.db2.gz QOOHINUTEQTMRP-UWVAXJGDSA-N 0 0 460.962 4.667 20 0 JJADRN COc1cc(I)ccc1C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001439193140 1065796532 /nfs/dbraw/zinc/79/65/32/1065796532.db2.gz BDCXYNKHQIBFGW-UHFFFAOYSA-N 0 0 450.103 4.579 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CC[S@](=O)C(C)(C)C ZINC001360751123 1065796637 /nfs/dbraw/zinc/79/66/37/1065796637.db2.gz VHCHVCVVQFTWSK-DVVWAZLVSA-N 0 0 462.635 4.873 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1CCOCC1 ZINC001360751094 1065796816 /nfs/dbraw/zinc/79/68/16/1065796816.db2.gz UWGVPMLMXPWIIB-ZRGWGRIASA-N 0 0 456.484 4.618 20 0 JJADRN CSc1ccc(Cl)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c1 ZINC001439195975 1065797062 /nfs/dbraw/zinc/79/70/62/1065797062.db2.gz HGFMNJUQKDUXKF-OAHLLOKOSA-N 0 0 455.020 4.598 20 0 JJADRN O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001439198830 1065797627 /nfs/dbraw/zinc/79/76/27/1065797627.db2.gz JMXWUUFLZMJGHO-YJYMSZOUSA-N 0 0 453.316 4.892 20 0 JJADRN COc1ccc(C(C)=O)cc1CC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC001360751476 1065797870 /nfs/dbraw/zinc/79/78/70/1065797870.db2.gz BGPLZGTVEADJAA-UHFFFAOYSA-N 0 0 456.340 4.644 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc2c(Br)cccc12 ZINC001439205928 1065798488 /nfs/dbraw/zinc/79/84/88/1065798488.db2.gz RMYLQFDSISEACF-FQEVSTJZSA-N 0 0 452.304 4.863 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CCN1CCOC[C@@H]1C ZINC001360753407 1065799516 /nfs/dbraw/zinc/79/95/16/1065799516.db2.gz CHGCIRNBGBHQFD-RBUKOAKNSA-N 0 0 462.038 4.561 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001439215857 1065800023 /nfs/dbraw/zinc/80/00/23/1065800023.db2.gz FGWHSVAPPYLJLZ-VQIMIIECSA-N 0 0 480.531 4.573 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1Cc1ccc(F)cn1 ZINC001360753745 1065800612 /nfs/dbraw/zinc/80/06/12/1065800612.db2.gz IDNGWCZGYGEJMQ-AWEZNQCLSA-N 0 0 458.950 4.747 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H]1COCCO1 ZINC001360753715 1065800747 /nfs/dbraw/zinc/80/07/47/1065800747.db2.gz HUOJRQMDIFIHPA-RHSMWYFYSA-N 0 0 483.421 4.838 20 0 JJADRN Cc1c(C(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)cnn1-c1ccc(Cl)cc1 ZINC001439225811 1065801439 /nfs/dbraw/zinc/80/14/39/1065801439.db2.gz BCPUZXBQTPZYMJ-UHFFFAOYSA-N 0 0 455.946 4.530 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CCC(=O)N1CCCCC1 ZINC001360754032 1065802196 /nfs/dbraw/zinc/80/21/96/1065802196.db2.gz NDCDQMZFEVUNSM-MRXNPFEDSA-N 0 0 487.954 4.863 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CCC(=O)N1CCCCC1 ZINC001360754031 1065802273 /nfs/dbraw/zinc/80/22/73/1065802273.db2.gz NDCDQMZFEVUNSM-INIZCTEOSA-N 0 0 487.954 4.863 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360753998 1065802323 /nfs/dbraw/zinc/80/23/23/1065802323.db2.gz MHSGPRMZETZHHH-NYHFZMIOSA-N 0 0 481.428 4.502 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCOCC(F)F ZINC001360754137 1065802848 /nfs/dbraw/zinc/80/28/48/1065802848.db2.gz OTIBEGBPYLGOMX-BEFAXECRSA-N 0 0 494.974 4.601 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCOCC(F)F ZINC001360754138 1065803132 /nfs/dbraw/zinc/80/31/32/1065803132.db2.gz OTIBEGBPYLGOMX-DNVCBOLYSA-N 0 0 494.974 4.601 20 0 JJADRN COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001439231196 1065803075 /nfs/dbraw/zinc/80/30/75/1065803075.db2.gz GCJIAVCDMKJSPQ-PNLZDCPESA-N 0 0 452.551 4.653 20 0 JJADRN CCN(C(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439246694 1065803781 /nfs/dbraw/zinc/80/37/81/1065803781.db2.gz IAOBMUIWFGJTEQ-GOSISDBHSA-N 0 0 459.612 4.528 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@H]1OCCC1(C)C ZINC001360754167 1065803782 /nfs/dbraw/zinc/80/37/82/1065803782.db2.gz PGBXVECHTHXWTP-HNAYVOBHSA-N 0 0 462.019 4.980 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@H]1OCCC1(C)C ZINC001360754165 1065803806 /nfs/dbraw/zinc/80/38/06/1065803806.db2.gz PGBXVECHTHXWTP-BEFAXECRSA-N 0 0 462.019 4.980 20 0 JJADRN CCN(C(=O)Cc1cccc(OCc2cccc(C)c2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439245250 1065803846 /nfs/dbraw/zinc/80/38/46/1065803846.db2.gz GFFDJCIJJSUTAA-QHCPKHFHSA-N 0 0 452.595 4.974 20 0 JJADRN CCN(C(=O)Cc1cccc(OCc2cccc(C)c2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001439245247 1065803897 /nfs/dbraw/zinc/80/38/97/1065803897.db2.gz GFFDJCIJJSUTAA-HSZRJFAPSA-N 0 0 452.595 4.974 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)NCc1nc2c(s1)CCC2 ZINC001439247461 1065803904 /nfs/dbraw/zinc/80/39/04/1065803904.db2.gz QMHKSCYJQXIACY-UHFFFAOYSA-N 0 0 454.377 4.656 20 0 JJADRN CC1(C)CO[C@H](CCNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC001439248943 1065804394 /nfs/dbraw/zinc/80/43/94/1065804394.db2.gz SOJIGWYKFZSYJN-MRXNPFEDSA-N 0 0 457.621 4.619 20 0 JJADRN C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CC=CCC1)N1CCOCC1 ZINC001360754500 1065804932 /nfs/dbraw/zinc/80/49/32/1065804932.db2.gz VVPWKTWQCXNZMX-HKBOAZHASA-N 0 0 474.049 4.585 20 0 JJADRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001439254394 1065804964 /nfs/dbraw/zinc/80/49/64/1065804964.db2.gz QYTJWHUCXAOZDI-DODVFSASSA-N 0 0 456.421 4.718 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC1(C(N)=O)CCCC1 ZINC001360754453 1065805172 /nfs/dbraw/zinc/80/51/72/1065805172.db2.gz UZAHKEGFVYFSNC-KRWDZBQOSA-N 0 0 460.022 4.886 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC1(C(N)=O)CCCC1 ZINC001360754454 1065805225 /nfs/dbraw/zinc/80/52/25/1065805225.db2.gz UZAHKEGFVYFSNC-QGZVFWFLSA-N 0 0 460.022 4.886 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC001439259436 1065805283 /nfs/dbraw/zinc/80/52/83/1065805283.db2.gz XJYZWZZLLLOXHW-UHFFFAOYSA-N 0 0 455.139 4.880 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(F)cn1 ZINC001360754521 1065805638 /nfs/dbraw/zinc/80/56/38/1065805638.db2.gz WFOROZBLMKGSCV-HRAATJIYSA-N 0 0 459.953 4.659 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1([S@](C)=O)CCC1 ZINC001360754570 1065805775 /nfs/dbraw/zinc/80/57/75/1065805775.db2.gz XMMJMBSEKBOIRM-ZZQXMTQJSA-N 0 0 487.016 4.854 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1Cl ZINC001439263571 1065805969 /nfs/dbraw/zinc/80/59/69/1065805969.db2.gz MKBCNHZDQSRLFL-UHFFFAOYSA-N 0 0 455.795 4.782 20 0 JJADRN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)C2 ZINC001439265760 1065806012 /nfs/dbraw/zinc/80/60/12/1065806012.db2.gz XGXKLHOYKIEDSK-LEHBWIKQSA-N 0 0 479.017 4.556 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)(F)F)n1CC1([S@@](C)=O)CCC1 ZINC001360754616 1065806475 /nfs/dbraw/zinc/80/64/75/1065806475.db2.gz YFIXDVMAHQENLY-JKGBWWFKSA-N 0 0 478.968 4.761 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@]1(O)CCC[C@H]1C ZINC001360754578 1065806816 /nfs/dbraw/zinc/80/68/16/1065806816.db2.gz XNHGBIWHQXHRNP-ZMPRRUGASA-N 0 0 462.019 4.716 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360754672 1065807108 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/nfs/dbraw/zinc/81/08/84/1065810884.db2.gz URPDMCDMSWTZPX-UHFFFAOYSA-N 0 0 455.927 4.705 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1 ZINC001360755861 1065811497 /nfs/dbraw/zinc/81/14/97/1065811497.db2.gz KLVKQVNAGQLLGP-KRWDZBQOSA-N 0 0 454.962 4.861 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cccc2ccccc21 ZINC001439287460 1065811585 /nfs/dbraw/zinc/81/15/85/1065811585.db2.gz MGRPASDXWCLYKF-OAQYLSRUSA-N 0 0 453.420 4.688 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H]2C)n1CC(=O)NC1CCCCC1 ZINC001360755940 1065812208 /nfs/dbraw/zinc/81/22/08/1065812208.db2.gz LWONCGFSKHLWEG-KSZLIROESA-N 0 0 460.022 4.755 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1(C)CCC1 ZINC001360756015 1065812505 /nfs/dbraw/zinc/81/25/05/1065812505.db2.gz MYRJOWBCHYRKJM-IBGZPJMESA-N 0 0 476.065 4.809 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2F)cc1)c1ccc(-n2cc(Br)cn2)nn1 ZINC001439292076 1065812527 /nfs/dbraw/zinc/81/25/27/1065812527.db2.gz MIRDELUIYYSKJM-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCCOC1 ZINC001360756072 1065812905 /nfs/dbraw/zinc/81/29/05/1065812905.db2.gz NZPMWTIFDMJKSS-ZWKOTPCHSA-N 0 0 451.011 4.749 20 0 JJADRN NC(=O)c1cc(NC(=O)c2ccc(CF)cc2)ccc1OCc1cccc(Br)c1 ZINC001439305684 1065813145 /nfs/dbraw/zinc/81/31/45/1065813145.db2.gz IFOQCSSQDMAZBF-UHFFFAOYSA-N 0 0 457.299 4.849 20 0 JJADRN Cc1c(C(=O)Nc2cccc(Oc3ccccc3F)c2)nnn1CCOc1ccc(F)cc1 ZINC001439307624 1065813161 /nfs/dbraw/zinc/81/31/61/1065813161.db2.gz DIFGAYJBYPPGJQ-UHFFFAOYSA-N 0 0 450.445 4.988 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(=O)NCc1ccco1 ZINC001360756220 1065813600 /nfs/dbraw/zinc/81/36/00/1065813600.db2.gz QMOKUUCIWHUXCN-QZTJIDSGSA-N 0 0 486.016 4.853 20 0 JJADRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001439312040 1065813691 /nfs/dbraw/zinc/81/36/91/1065813691.db2.gz PYDZAVISIOKEMO-KRWDZBQOSA-N 0 0 457.527 4.550 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001439309044 1065813811 /nfs/dbraw/zinc/81/38/11/1065813811.db2.gz XUVZBRBIOFXOMT-QFYYESIMSA-N 0 0 464.307 4.684 20 0 JJADRN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001439317231 1065814362 /nfs/dbraw/zinc/81/43/62/1065814362.db2.gz AYWBVUUPGMSNMH-IRLDBZIGSA-N 0 0 456.384 4.566 20 0 JJADRN CN(C)Cc1csc(CNC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001439326730 1065815009 /nfs/dbraw/zinc/81/50/09/1065815009.db2.gz NOULQXQOJTYVMS-FQEVSTJZSA-N 0 0 450.391 4.948 20 0 JJADRN CN(C[C@@H]1CCCCN1C(=O)COc1ccc(Oc2ccccn2)cc1)C(=O)OC(C)(C)C ZINC001439337392 1065816086 /nfs/dbraw/zinc/81/60/86/1065816086.db2.gz CORZIMVBLMUVRI-IBGZPJMESA-N 0 0 455.555 4.501 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360756648 1065816616 /nfs/dbraw/zinc/81/66/16/1065816616.db2.gz XIVXWJZYQWZYMT-OLMMMNRUSA-N 0 0 499.965 4.752 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnnn1C ZINC001360756596 1065816716 /nfs/dbraw/zinc/81/67/16/1065816716.db2.gz WUZCCVSBMVYQJQ-MRXNPFEDSA-N 0 0 472.018 4.725 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCn1cncn1 ZINC001360756702 1065817149 /nfs/dbraw/zinc/81/71/49/1065817149.db2.gz YFAKUCSIZYSKCZ-ZWKOTPCHSA-N 0 0 458.010 4.768 20 0 JJADRN CCc1sc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1Br ZINC001360757359 1065817867 /nfs/dbraw/zinc/81/78/67/1065817867.db2.gz YSYIBCKNGHBQQI-UHFFFAOYSA-N 0 0 457.699 4.949 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC001439346518 1065817990 /nfs/dbraw/zinc/81/79/90/1065817990.db2.gz XNHOGBCLDNXXFC-LSDHHAIUSA-N 0 0 454.411 4.552 20 0 JJADRN O=C(NCCc1ccnn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1Br ZINC001439348553 1065818095 /nfs/dbraw/zinc/81/80/95/1065818095.db2.gz SJPUPXFZOVEZQU-UHFFFAOYSA-N 0 0 454.246 4.506 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001439354324 1065818684 /nfs/dbraw/zinc/81/86/84/1065818684.db2.gz KWKANFHWTGOQQL-LPTQZCDUSA-N 0 0 462.949 4.971 20 0 JJADRN Cc1cc(C2(C(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)C4)O3)CCCCC2)ccc1Br ZINC001439352483 1065818736 /nfs/dbraw/zinc/81/87/36/1065818736.db2.gz TZVIJWPTWRGOPB-LZNRXBQRSA-N 0 0 450.417 4.802 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001360757473 1065818815 /nfs/dbraw/zinc/81/88/15/1065818815.db2.gz BXWOKHPBWVUWOR-PZGSVQSZSA-N 0 0 477.049 4.874 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC001439354088 1065819263 /nfs/dbraw/zinc/81/92/63/1065819263.db2.gz FJVTZAIMCSMIKE-CRAIPNDOSA-N 0 0 451.405 4.633 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1CC(C)(C)C1 ZINC001360757521 1065819564 /nfs/dbraw/zinc/81/95/64/1065819564.db2.gz CSCHGSGDOIRWKH-IRXDYDNUSA-N 0 0 460.022 4.600 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1CCNC(=O)OC(C)(C)C ZINC001360757694 1065820002 /nfs/dbraw/zinc/82/00/02/1065820002.db2.gz GNJOACSOEGOMRN-QKLQHJQFSA-N 0 0 476.021 4.975 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001360757815 1065820705 /nfs/dbraw/zinc/82/07/05/1065820705.db2.gz IRCYSHOZDBPBGN-RBUKOAKNSA-N 0 0 460.022 4.853 20 0 JJADRN C[C@]1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCOC2(CCC2)C1 ZINC001439374943 1065821214 /nfs/dbraw/zinc/82/12/14/1065821214.db2.gz KZGOSXJIKRCWOF-VGSWGCGISA-N 0 0 453.410 4.701 20 0 JJADRN CC(C)C1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001360758018 1065821237 /nfs/dbraw/zinc/82/12/37/1065821237.db2.gz LHOCDGPVOPBTTJ-QGZVFWFLSA-N 0 0 481.062 4.521 20 0 JJADRN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001439363415 1065821521 /nfs/dbraw/zinc/82/15/21/1065821521.db2.gz YUMAURWFNKIXEJ-RBBKRZOGSA-N 0 0 450.417 4.739 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001439387601 1065822194 /nfs/dbraw/zinc/82/21/94/1065822194.db2.gz DHBLVMRZELQZOV-KRWDZBQOSA-N 0 0 458.333 4.906 20 0 JJADRN CC(C)(C)OCc1ccccc1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001439390421 1065822902 /nfs/dbraw/zinc/82/29/02/1065822902.db2.gz NYJZSZWRKCPOHF-UHFFFAOYSA-N 0 0 458.349 4.559 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(Br)c2nccn2c1 ZINC001439391369 1065823024 /nfs/dbraw/zinc/82/30/24/1065823024.db2.gz QJBYIIWFIHWKSX-UHFFFAOYSA-N 0 0 456.321 4.864 20 0 JJADRN CCOCCO[C@H](C)C(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F ZINC001439390570 1065823062 /nfs/dbraw/zinc/82/30/62/1065823062.db2.gz QGCORXYRKRMDDP-OAHLLOKOSA-N 0 0 454.336 4.781 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CCCO)CC2)n1C[C@H]1CSCCS1 ZINC001360758237 1065823335 /nfs/dbraw/zinc/82/33/35/1065823335.db2.gz PFRKPKBCWKUUHL-UTKZUKDTSA-N 0 0 497.130 4.909 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ncnn1C(C)(C)C ZINC001360758179 1065823348 /nfs/dbraw/zinc/82/33/48/1065823348.db2.gz OEGGPKKIYHFHSO-HZPDHXFCSA-N 0 0 493.990 4.948 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001439393787 1065823529 /nfs/dbraw/zinc/82/35/29/1065823529.db2.gz WFGNJDOREBONDR-AREMUKBSSA-N 0 0 452.551 4.553 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ncnn1C(C)(C)C ZINC001360758178 1065823420 /nfs/dbraw/zinc/82/34/20/1065823420.db2.gz OEGGPKKIYHFHSO-HOTGVXAUSA-N 0 0 493.990 4.948 20 0 JJADRN O=C(c1cccc(OCc2cscn2)c1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001439400673 1065824349 /nfs/dbraw/zinc/82/43/49/1065824349.db2.gz OKJHZEFKSKKMCN-GOSISDBHSA-N 0 0 459.369 4.642 20 0 JJADRN COc1ccc([S@@](C)(=O)=NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 ZINC001439417706 1065825069 /nfs/dbraw/zinc/82/50/69/1065825069.db2.gz FFCPCDGNABLSRT-PLTNMMHCSA-N 0 0 452.617 4.790 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 ZINC001439417700 1065825103 /nfs/dbraw/zinc/82/51/03/1065825103.db2.gz FFCPCDGNABLSRT-GEFUHLBYSA-N 0 0 452.617 4.790 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 ZINC001439423882 1065825805 /nfs/dbraw/zinc/82/58/05/1065825805.db2.gz VBTNCAWKOZDCMJ-MKTHODDLSA-N 0 0 458.609 4.700 20 0 JJADRN O=C(CSc1ccccc1C(=O)N=[S@@]1(=O)CCc2ccccc21)NCC1CCCCC1 ZINC001439420315 1065825816 /nfs/dbraw/zinc/82/58/16/1065825816.db2.gz SRPMAKGTJIDEFH-WJOKGBTCSA-N 0 0 456.633 4.699 20 0 JJADRN CN1c2ccc(C(=O)N(CC(F)(F)F)c3ccc(Br)cc3)cc2C(C)(C)C1=O ZINC001360758618 1065825753 /nfs/dbraw/zinc/82/57/53/1065825753.db2.gz DMYDSJAXHHPWEI-UHFFFAOYSA-N 0 0 455.274 4.912 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001360758804 1065826366 /nfs/dbraw/zinc/82/63/66/1065826366.db2.gz VDDFZKRUCPRXOR-WXSAJPJJSA-N 0 0 479.984 4.705 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001439430090 1065826565 /nfs/dbraw/zinc/82/65/65/1065826565.db2.gz QGIUYPOEJWGXJH-OAQYLSRUSA-N 0 0 450.539 4.659 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC1CCOCC1 ZINC001360758962 1065827095 /nfs/dbraw/zinc/82/70/95/1065827095.db2.gz WQZKXJJEBXRYKW-WBVHZDCISA-N 0 0 454.949 4.980 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)N=S(=O)(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC001439432896 1065827109 /nfs/dbraw/zinc/82/71/09/1065827109.db2.gz BSXQTHCIQBPDKP-GOSISDBHSA-N 0 0 450.585 4.874 20 0 JJADRN COCCN(CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)C(=O)OC(C)(C)C ZINC001439433093 1065827597 /nfs/dbraw/zinc/82/75/97/1065827597.db2.gz ZGXGOFWGLLFNSX-HNNXBMFYSA-N 0 0 459.292 4.597 20 0 JJADRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1nccc(C)c1C(=O)c1ccccc1F ZINC001439433403 1065827719 /nfs/dbraw/zinc/82/77/19/1065827719.db2.gz CFPKYDIBSWJJTR-UHFFFAOYSA-N 0 0 450.420 4.785 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCC(C)(C)C2)n1CC(=O)NCc1ccco1 ZINC001360759243 1065828567 /nfs/dbraw/zinc/82/85/67/1065828567.db2.gz ZGDPAPDYEJAHQM-QGZVFWFLSA-N 0 0 471.989 4.607 20 0 JJADRN C[S@](=O)(=NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1cccc(Br)c1 ZINC001439438986 1065829059 /nfs/dbraw/zinc/82/90/59/1065829059.db2.gz SKRXYOYEDUPPGQ-AREMUKBSSA-N 0 0 450.745 4.857 20 0 JJADRN Cc1ccnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)c1C(=O)c1ccccc1F ZINC001439439656 1065829669 /nfs/dbraw/zinc/82/96/69/1065829669.db2.gz XIUOGDSPXQDVRR-UHFFFAOYSA-N 0 0 450.470 4.754 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360760031 1065830527 /nfs/dbraw/zinc/83/05/27/1065830527.db2.gz GNRDNDSVWQFHLK-KSZLIROESA-N 0 0 496.002 4.989 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360760030 1065830548 /nfs/dbraw/zinc/83/05/48/1065830548.db2.gz GNRDNDSVWQFHLK-BZSNNMDCSA-N 0 0 496.002 4.989 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC(F)(F)F ZINC001360760195 1065831193 /nfs/dbraw/zinc/83/11/93/1065831193.db2.gz IPWUKCMFVLMDTL-ZBFHGGJFSA-N 0 0 458.912 4.887 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOCC2)n1Cc1cc(Br)cs1 ZINC001360760314 1065831753 /nfs/dbraw/zinc/83/17/53/1065831753.db2.gz JYTWHTMZCKLQBS-CYBMUJFWSA-N 0 0 483.819 4.780 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCC(C)(F)F ZINC001360760399 1065831795 /nfs/dbraw/zinc/83/17/95/1065831795.db2.gz LKZGFNDXRGTVPM-CQSZACIVSA-N 0 0 463.907 4.504 20 0 JJADRN Cc1cnc(Br)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2C)c1 ZINC001439467312 1065832367 /nfs/dbraw/zinc/83/23/67/1065832367.db2.gz BQLQOYSLIJPHRN-UHFFFAOYSA-N 0 0 450.292 4.514 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC1CC1 ZINC001360760576 1065832414 /nfs/dbraw/zinc/83/24/14/1065832414.db2.gz PCUNZLUUUFFCOZ-CABCVRRESA-N 0 0 457.928 4.554 20 0 JJADRN Cc1nccc2c(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCC[C@H](C)C4)c3)cccc12 ZINC001439473815 1065832459 /nfs/dbraw/zinc/83/24/59/1065832459.db2.gz XHDSQOYEOMMLIO-HNNXBMFYSA-N 0 0 457.983 4.870 20 0 JJADRN Cc1cc(F)ccc1[C@@H](C)OC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001439466874 1065832508 /nfs/dbraw/zinc/83/25/08/1065832508.db2.gz PVVAXEMYAWYBNN-MRXNPFEDSA-N 0 0 452.511 4.825 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCCCC[C@@H]1C(F)(F)F ZINC001439490313 1065833781 /nfs/dbraw/zinc/83/37/81/1065833781.db2.gz ZIWXXICSBQMLNQ-MRXNPFEDSA-N 0 0 454.474 4.605 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC1(O)CCCC1 ZINC001360760682 1065833945 /nfs/dbraw/zinc/83/39/45/1065833945.db2.gz REDWSBQUOIPKCA-XLIONFOSSA-N 0 0 463.022 4.628 20 0 JJADRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(Br)ccc1C1=NCCO1 ZINC001439491656 1065833866 /nfs/dbraw/zinc/83/38/66/1065833866.db2.gz KCMQTGYTABCSCC-CYBMUJFWSA-N 0 0 456.344 4.502 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001439496531 1065834614 /nfs/dbraw/zinc/83/46/14/1065834614.db2.gz COZVBAPOKCSMAK-UZUQRXQVSA-N 0 0 454.542 4.560 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(CC(F)F)CC2)n1CCSC(F)(F)F ZINC001360760773 1065834555 /nfs/dbraw/zinc/83/45/55/1065834555.db2.gz SKYKPTHMLPXEDA-ZDUSSCGKSA-N 0 0 499.937 4.712 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1cccnc1 ZINC001360760860 1065834650 /nfs/dbraw/zinc/83/46/50/1065834650.db2.gz UNAXNNXPEZTXKE-SFYKDHMMSA-N 0 0 497.043 4.573 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@](C)(O)c1ccco1 ZINC001360760950 1065835299 /nfs/dbraw/zinc/83/52/99/1065835299.db2.gz VSAGGWMXMNDJLT-UAVUOLJFSA-N 0 0 474.989 4.576 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001439507994 1065836941 /nfs/dbraw/zinc/83/69/41/1065836941.db2.gz YMJYGVGDIDQAJF-INIZCTEOSA-N 0 0 451.498 4.825 20 0 JJADRN CN(C(=O)c1ccc(Cl)c(NC(=O)Cc2nnc(-c3ccccc3)n2C)c1)c1ccccc1 ZINC001360761505 1065837012 /nfs/dbraw/zinc/83/70/12/1065837012.db2.gz JOIFLPBLKSVSMM-UHFFFAOYSA-N 0 0 459.937 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2n[nH]c(-c3ccco3)n2)CC1 ZINC001439514663 1065837467 /nfs/dbraw/zinc/83/74/67/1065837467.db2.gz ZSMJRXJTMGQEKM-UHFFFAOYSA-N 0 0 451.527 4.507 20 0 JJADRN Cc1cccnc1C(F)(F)C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001439513706 1065837778 /nfs/dbraw/zinc/83/77/78/1065837778.db2.gz YWYQGPUOAHHOMS-UHFFFAOYSA-N 0 0 456.152 4.744 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)cc1OC ZINC001439527170 1065838311 /nfs/dbraw/zinc/83/83/11/1065838311.db2.gz MVKMJGAROGAFBU-NSHDSACASA-N 0 0 456.283 4.952 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)c2ccco2)n1CCNC(=O)c1cccs1 ZINC001360762445 1065838689 /nfs/dbraw/zinc/83/86/89/1065838689.db2.gz FVEFAKXJPHYRGY-IAGOWNOFSA-N 0 0 483.569 4.839 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1cnn(C)c1 ZINC001360762439 1065838719 /nfs/dbraw/zinc/83/87/19/1065838719.db2.gz FUQHTBTUHWZYIO-XHSDSOJGSA-N 0 0 464.948 4.581 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCC2)n1Cc1cccc(Br)n1 ZINC001360762396 1065838754 /nfs/dbraw/zinc/83/87/54/1065838754.db2.gz FHYMEICHBRFGBG-AWEZNQCLSA-N 0 0 460.351 4.752 20 0 JJADRN CC(=O)c1ccc(OC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1Cl ZINC001439539045 1065839146 /nfs/dbraw/zinc/83/91/46/1065839146.db2.gz WKLHKHPUVBGQCE-AWEZNQCLSA-N 0 0 451.853 4.602 20 0 JJADRN O=C(N[C@@H](c1ccccn1)C1CC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC001439542210 1065839208 /nfs/dbraw/zinc/83/92/08/1065839208.db2.gz XZKWBHKGCIXGCU-OAQYLSRUSA-N 0 0 459.930 4.556 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001360762463 1065839385 /nfs/dbraw/zinc/83/93/85/1065839385.db2.gz GBXGXBUZWVVKDS-JKSUJKDBSA-N 0 0 459.591 4.585 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1Cc1ccc(N(C)C)nc1 ZINC001360762525 1065839448 /nfs/dbraw/zinc/83/94/48/1065839448.db2.gz GWYXFQXYIOQUEJ-SFHVURJKSA-N 0 0 452.578 4.835 20 0 JJADRN CC(C)(C(=O)NC(C1CCCC1)C1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001439546154 1065839642 /nfs/dbraw/zinc/83/96/42/1065839642.db2.gz NRSMDDBSDWDZLT-UHFFFAOYSA-N 0 0 456.446 4.867 20 0 JJADRN COc1ccc(-c2noc(CCC(=O)N3CC[C@@H](c4cc(F)c(F)c(F)c4)C3(C)C)n2)cc1 ZINC001439544762 1065839858 /nfs/dbraw/zinc/83/98/58/1065839858.db2.gz FQTMOSDQYUHWBA-KRWDZBQOSA-N 0 0 459.468 4.890 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCCCCO ZINC001360762572 1065840184 /nfs/dbraw/zinc/84/01/84/1065840184.db2.gz HMHWBENTWXFMQD-IBGZPJMESA-N 0 0 495.089 4.727 20 0 JJADRN CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001439550363 1065840231 /nfs/dbraw/zinc/84/02/31/1065840231.db2.gz AEKYYWJWSPUUBO-UHFFFAOYSA-N 0 0 451.889 4.722 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc(Br)cc2cccnc21)c1ccc(F)cc1 ZINC001439551277 1065840370 /nfs/dbraw/zinc/84/03/70/1065840370.db2.gz GNIYTMGPQHEGBM-IBGZPJMESA-N 0 0 459.315 4.949 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(COc3ccc(Br)cc3)o1)[C@H]2C ZINC001439557428 1065840999 /nfs/dbraw/zinc/84/09/99/1065840999.db2.gz UAHKVWMOWDZKTO-AWEZNQCLSA-N 0 0 459.344 4.553 20 0 JJADRN CC(C)(C)OC(=O)[C@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC001439553368 1065841036 /nfs/dbraw/zinc/84/10/36/1065841036.db2.gz LHVGDKPYHXEDPD-GOSISDBHSA-N 0 0 456.739 4.983 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc(C(C)C)nc1C)c1ccc(Br)c(Cl)c1 ZINC001439571400 1065841982 /nfs/dbraw/zinc/84/19/82/1065841982.db2.gz HUFOAHYZIIJJRS-SFHVURJKSA-N 0 0 453.764 4.964 20 0 JJADRN C[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1cccc(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001360763104 1065842037 /nfs/dbraw/zinc/84/20/37/1065842037.db2.gz QJOSLVGSFDKQTO-HZPDHXFCSA-N 0 0 490.008 4.804 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360763105 1065842068 /nfs/dbraw/zinc/84/20/68/1065842068.db2.gz QJOSLVGSFDKQTO-JKSUJKDBSA-N 0 0 490.008 4.804 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(Nc2cnn(C)c2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360763273 1065842793 /nfs/dbraw/zinc/84/27/93/1065842793.db2.gz SXSVNSODPMZPSZ-MRXNPFEDSA-N 0 0 490.008 4.806 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001439585478 1065844441 /nfs/dbraw/zinc/84/44/41/1065844441.db2.gz NJXJSSYVCANBBF-UXHICEINSA-N 0 0 454.542 4.904 20 0 JJADRN Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001360763880 1065844517 /nfs/dbraw/zinc/84/45/17/1065844517.db2.gz GUYPBYKTJKFKOE-ICSRJNTNSA-N 0 0 457.412 4.838 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CCSC1 ZINC001360764510 1065844689 /nfs/dbraw/zinc/84/46/89/1065844689.db2.gz BDWZPMIZDIBIGV-CABCVRRESA-N 0 0 498.550 4.699 20 0 JJADRN CO[C@@](C)(C(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1F ZINC001439587963 1065845524 /nfs/dbraw/zinc/84/55/24/1065845524.db2.gz VCRPXIIAKYWFQW-HFJWLAOPSA-N 0 0 456.558 4.808 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC001439587114 1065845542 /nfs/dbraw/zinc/84/55/42/1065845542.db2.gz MPKPPWGVGHTLAV-CQSZACIVSA-N 0 0 450.457 4.784 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(F)c1 ZINC001439591163 1065846029 /nfs/dbraw/zinc/84/60/29/1065846029.db2.gz KFLPAQHMELJXCD-RTBURBONSA-N 0 0 454.542 4.904 20 0 JJADRN 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ZINC001439626973 1065849888 /nfs/dbraw/zinc/84/98/88/1065849888.db2.gz OKJIVHQKAXNBDV-FNORWQNLSA-N 0 0 450.304 4.735 20 0 JJADRN CCc1c(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cnn1C(CC)CC ZINC001439635500 1065850474 /nfs/dbraw/zinc/85/04/74/1065850474.db2.gz ASRFKXJIPDVXEZ-UHFFFAOYSA-N 0 0 452.521 4.910 20 0 JJADRN COc1cc(Cl)c(F)cc1NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001439636228 1065851012 /nfs/dbraw/zinc/85/10/12/1065851012.db2.gz QNWGFIAKEMQAMU-UHFFFAOYSA-N 0 0 453.898 4.843 20 0 JJADRN C[C@@H](NC(=O)CC(C)(C)NC(=O)OCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439639531 1065851683 /nfs/dbraw/zinc/85/16/83/1065851683.db2.gz VORQKUSAYPUZCE-OAHLLOKOSA-N 0 0 456.930 4.662 20 0 JJADRN COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c1 ZINC001439640262 1065851753 /nfs/dbraw/zinc/85/17/53/1065851753.db2.gz XQFKVJKMMWUMMY-QGZVFWFLSA-N 0 0 450.501 4.754 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC001439641512 1065852427 /nfs/dbraw/zinc/85/24/27/1065852427.db2.gz AKFBZCKFXVZYBX-RUZDIDTESA-N 0 0 459.521 4.880 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1ccc(-c2csnn2)cc1 ZINC001439642569 1065852469 /nfs/dbraw/zinc/85/24/69/1065852469.db2.gz VNCWNXSSRHYGAN-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN Cc1cncn1CC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766376 1065852693 /nfs/dbraw/zinc/85/26/93/1065852693.db2.gz QREHRGSKKNPHFU-LJQANCHMSA-N 0 0 450.739 4.847 20 0 JJADRN CC[C@H](NC(C)=O)C(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766223 1065852741 /nfs/dbraw/zinc/85/27/41/1065852741.db2.gz LGDDXTMYSRELRB-RBUKOAKNSA-N 0 0 455.755 4.556 20 0 JJADRN Cc1cncn1CC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001360766375 1065852780 /nfs/dbraw/zinc/85/27/80/1065852780.db2.gz QREHRGSKKNPHFU-IBGZPJMESA-N 0 0 450.739 4.847 20 0 JJADRN Cc1cc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C(C)C)ccc3Cl)sc2cc1F ZINC001439646248 1065852964 /nfs/dbraw/zinc/85/29/64/1065852964.db2.gz NWCJDJRZSBNZQK-UHFFFAOYSA-N 0 0 455.964 4.678 20 0 JJADRN COc1ccc(C(=O)NCc2ccc(Br)c(Br)c2)c(OC(C)C)c1 ZINC001439643145 1065853083 /nfs/dbraw/zinc/85/30/83/1065853083.db2.gz WNJWDVPABWYZKE-UHFFFAOYSA-N 0 0 457.162 4.937 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)cc1 ZINC001360766611 1065853241 /nfs/dbraw/zinc/85/32/41/1065853241.db2.gz ZIUHBUXUHHEPAS-UHFFFAOYSA-N 0 0 452.555 4.580 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cnccn2)n1C[C@H]1CCCCC1(F)F ZINC001360766653 1065853266 /nfs/dbraw/zinc/85/32/66/1065853266.db2.gz AFZOECCRLZFCCZ-ZWKOTPCHSA-N 0 0 474.531 4.852 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2cc(Br)ccc2OC(F)F)c2ccccc12 ZINC001439661585 1065853601 /nfs/dbraw/zinc/85/36/01/1065853601.db2.gz KJKGRRVSNMABGL-UHFFFAOYSA-N 0 0 451.223 4.638 20 0 JJADRN O=C(COc1ccccc1C(=O)N[C@H]1CCCC2(CC2)C1)Nc1ccc(Br)cc1 ZINC001439650509 1065853854 /nfs/dbraw/zinc/85/38/54/1065853854.db2.gz WPSHJOAFGLXYCJ-SFHVURJKSA-N 0 0 457.368 4.919 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2cccs2)n1CCc1cccnc1 ZINC001360766786 1065853956 /nfs/dbraw/zinc/85/39/56/1065853956.db2.gz CQQMNAGENRXPDF-GOSISDBHSA-N 0 0 451.571 4.935 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001360766719 1065854002 /nfs/dbraw/zinc/85/40/02/1065854002.db2.gz BLGYMQJNBZDFLP-ZCVJKFOLSA-N 0 0 474.621 4.871 20 0 JJADRN C[S@](=O)(=NC(=O)c1ncc(Br)cc1Br)c1ccc(Cl)cc1 ZINC001439672610 1065855090 /nfs/dbraw/zinc/85/50/90/1065855090.db2.gz UAVUQILYAGPWAI-OAQYLSRUSA-N 0 0 452.555 4.557 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC=CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360767188 1065855237 /nfs/dbraw/zinc/85/52/37/1065855237.db2.gz LCSKSCRFGUQLCL-KRWDZBQOSA-N 0 0 459.566 4.627 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCc1nccs1 ZINC001360767056 1065855381 /nfs/dbraw/zinc/85/53/81/1065855381.db2.gz IJHWZGXKKMYTLR-INIZCTEOSA-N 0 0 459.591 4.650 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCc1nccs1 ZINC001360767057 1065855480 /nfs/dbraw/zinc/85/54/80/1065855480.db2.gz IJHWZGXKKMYTLR-MRXNPFEDSA-N 0 0 459.591 4.650 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2C1 ZINC001439676092 1065855703 /nfs/dbraw/zinc/85/57/03/1065855703.db2.gz HHSIKDWGQWDKFQ-UHFFFAOYSA-N 0 0 459.959 4.663 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCC(=O)N1CCCCCC1 ZINC001360767343 1065855943 /nfs/dbraw/zinc/85/59/43/1065855943.db2.gz NUJRLYYQKHJFMS-HXUWFJFHSA-N 0 0 489.636 4.601 20 0 JJADRN CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360767404 1065856048 /nfs/dbraw/zinc/85/60/48/1065856048.db2.gz OZARHQCFTMRLLT-OZIGNCPNSA-N 0 0 460.594 4.622 20 0 JJADRN CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360767405 1065856100 /nfs/dbraw/zinc/85/61/00/1065856100.db2.gz OZARHQCFTMRLLT-PSHVLCQKSA-N 0 0 460.594 4.622 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CCCc3ccc(Cl)c(Cl)c3)cc2C1 ZINC001439679856 1065856514 /nfs/dbraw/zinc/85/65/14/1065856514.db2.gz PLCVUHLIEIIJNL-UHFFFAOYSA-N 0 0 453.370 4.902 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cncc(Br)c2C)c1 ZINC001439678413 1065856526 /nfs/dbraw/zinc/85/65/26/1065856526.db2.gz GWEVVRNYDKERNM-UHFFFAOYSA-N 0 0 451.214 4.693 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC1CCOCC1 ZINC001360767682 1065856685 /nfs/dbraw/zinc/85/66/85/1065856685.db2.gz SRDFIDQVWWALDR-INIZCTEOSA-N 0 0 498.521 4.722 20 0 JJADRN CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001360767407 1065856918 /nfs/dbraw/zinc/85/69/18/1065856918.db2.gz OZARHQCFTMRLLT-ZVVDCOBXSA-N 0 0 460.594 4.622 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CCc1cn2ccccc2n1 ZINC001360767495 1065856942 /nfs/dbraw/zinc/85/69/42/1065856942.db2.gz PVHIUPSJBPTMCL-MRXNPFEDSA-N 0 0 458.488 4.539 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 ZINC001360767896 1065857509 /nfs/dbraw/zinc/85/75/09/1065857509.db2.gz VDNASQXUQPODAY-KRWDZBQOSA-N 0 0 492.642 4.611 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001360767718 1065857589 /nfs/dbraw/zinc/85/75/89/1065857589.db2.gz UAXNMIQOSFWPMF-BBWFWOEESA-N 0 0 497.562 4.809 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc([C@H](C)CC(N)=O)cc3)cc12 ZINC001439693717 1065858702 /nfs/dbraw/zinc/85/87/02/1065858702.db2.gz NOXPFUHVNVTLFJ-CQSZACIVSA-N 0 0 450.539 4.825 20 0 JJADRN C[C@@H](CC(N)=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 ZINC001439694197 1065858773 /nfs/dbraw/zinc/85/87/73/1065858773.db2.gz PCZLJNHUVXKAPV-AWEZNQCLSA-N 0 0 454.324 4.868 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCSCCCO ZINC001360768960 1065858958 /nfs/dbraw/zinc/85/89/58/1065858958.db2.gz AQNZTWQWSSOPHO-RBUKOAKNSA-N 0 0 462.635 4.689 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001360768988 1065859198 /nfs/dbraw/zinc/85/91/98/1065859198.db2.gz BNDWSKQZCQSUPK-AUMHUTNHSA-N 0 0 450.624 4.731 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C)c1Br ZINC001439696335 1065859377 /nfs/dbraw/zinc/85/93/77/1065859377.db2.gz RQUOLXZLYITYKO-KSFYIVLOSA-N 0 0 451.405 4.975 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCCC(C)(C)C ZINC001360769029 1065859667 /nfs/dbraw/zinc/85/96/67/1065859667.db2.gz CJRWOMCWERANPC-FQRUVTKNSA-N 0 0 473.637 4.685 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCCOCC1CCOCC1 ZINC001360769092 1065859817 /nfs/dbraw/zinc/85/98/17/1065859817.db2.gz DDVBSXZHWRMLBX-HKBOAZHASA-N 0 0 474.621 4.873 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCCN(C)CC(F)(F)F ZINC001360769131 1065860327 /nfs/dbraw/zinc/86/03/27/1065860327.db2.gz DOGZSPPFGNPCQF-SQNIBIBYSA-N 0 0 471.543 4.924 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC1([S@@](C)=O)CC1 ZINC001360769208 1065861153 /nfs/dbraw/zinc/86/11/53/1065861153.db2.gz FZFKRXKLPVRPJF-RQOHWKINSA-N 0 0 488.551 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C(C)(C)C1 ZINC001439702983 1065862100 /nfs/dbraw/zinc/86/21/00/1065862100.db2.gz STQCXFBBROVXLG-NRFANRHFSA-N 0 0 450.539 4.508 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001360769651 1065862316 /nfs/dbraw/zinc/86/23/16/1065862316.db2.gz LQPPZSHTZDDJNL-WMZOPIPTSA-N 0 0 452.521 4.591 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001439709179 1065863050 /nfs/dbraw/zinc/86/30/50/1065863050.db2.gz VTHGXRMJKWVJGQ-HXUWFJFHSA-N 0 0 459.587 4.945 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2ccc(Cn3cccn3)cc2)CCC1 ZINC001439708790 1065863127 /nfs/dbraw/zinc/86/31/27/1065863127.db2.gz UJNJYOHJQIHSLT-JOCHJYFZSA-N 0 0 452.599 4.621 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CCC1 ZINC001439708722 1065863184 /nfs/dbraw/zinc/86/31/84/1065863184.db2.gz UBBBTFDUGOBWMH-YADHBBJMSA-N 0 0 458.599 4.544 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCCn1cc(Br)cn1 ZINC001360769920 1065863233 /nfs/dbraw/zinc/86/32/33/1065863233.db2.gz PXOQNJJSDKJTPQ-ULQDDVLXSA-N 0 0 491.409 4.841 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCSCC(F)(F)F ZINC001360769723 1065863264 /nfs/dbraw/zinc/86/32/64/1065863264.db2.gz MMEAVSDCTDGNTQ-GVDBMIGSSA-N 0 0 488.551 4.716 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2ccc(Cn3cccn3)cc2)CCC1 ZINC001439708796 1065863326 /nfs/dbraw/zinc/86/33/26/1065863326.db2.gz UJNJYOHJQIHSLT-QFIPXVFZSA-N 0 0 452.599 4.621 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC1=CCCOC1 ZINC001360769964 1065863797 /nfs/dbraw/zinc/86/37/97/1065863797.db2.gz QRUGFFFYVQGJAF-AWEZNQCLSA-N 0 0 453.345 4.803 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCCC(C)(C)C ZINC001360769944 1065864219 /nfs/dbraw/zinc/86/42/19/1065864219.db2.gz QHLVJPABWFFQHX-IRXDYDNUSA-N 0 0 499.553 4.888 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C ZINC001360770040 1065864611 /nfs/dbraw/zinc/86/46/11/1065864611.db2.gz RVCZGHXHFHVGBG-PNYFIKQUSA-N 0 0 473.593 4.831 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CC(C)(C)C(F)(F)F ZINC001360770046 1065864785 /nfs/dbraw/zinc/86/47/85/1065864785.db2.gz SCYSGPFIDZRHOJ-DLBZAZTESA-N 0 0 494.537 4.948 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CCCO)CC2)n1CC[C@@H]1CCCCO1 ZINC001360770031 1065864795 /nfs/dbraw/zinc/86/47/95/1065864795.db2.gz RTDXUXLACNXJNZ-FPOVZHCZSA-N 0 0 460.594 4.505 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC(=O)NC(C)(C)C ZINC001360770014 1065864888 /nfs/dbraw/zinc/86/48/88/1065864888.db2.gz RMGLPEIKXAYVQK-AWEZNQCLSA-N 0 0 484.403 4.761 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001360770154 1065865313 /nfs/dbraw/zinc/86/53/13/1065865313.db2.gz UGAOKXISIGVROK-BTYIYWSLSA-N 0 0 466.529 4.762 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C ZINC001360770142 1065865370 /nfs/dbraw/zinc/86/53/70/1065865370.db2.gz UCHVEUGOXAHOPW-ROUUACIJSA-N 0 0 469.609 4.824 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(F)(F)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001360770157 1065865522 /nfs/dbraw/zinc/86/55/22/1065865522.db2.gz UGAOKXISIGVROK-YCRPNKLZSA-N 0 0 466.529 4.762 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001439731630 1065865894 /nfs/dbraw/zinc/86/58/94/1065865894.db2.gz YEGDBAPPQOFLGW-UHFFFAOYSA-N 0 0 456.409 4.818 20 0 JJADRN CC[S@@](=O)(=NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)c1cccc(Cl)c1 ZINC001439731938 1065866020 /nfs/dbraw/zinc/86/60/20/1065866020.db2.gz HVGDSKREAMKMBJ-UKPGIYTDSA-N 0 0 459.999 4.578 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCSCC(F)(F)F ZINC001360770244 1065866096 /nfs/dbraw/zinc/86/60/96/1065866096.db2.gz WGNMBBNNJYXEJW-CVEARBPZSA-N 0 0 498.550 4.580 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001360770182 1065866162 /nfs/dbraw/zinc/86/61/62/1065866162.db2.gz UYYSPEUPRKRNRA-JYJNAYRXSA-N 0 0 474.378 4.998 20 0 JJADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439732449 1065866482 /nfs/dbraw/zinc/86/64/82/1065866482.db2.gz FQQQQFXADPBBAE-YWZLYKJASA-N 0 0 452.904 4.958 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccc(Br)cc2Cl)C1)c1ccc(Cl)cc1 ZINC001439732456 1065866684 /nfs/dbraw/zinc/86/66/84/1065866684.db2.gz FUJGGJUDAPARSI-HNNXBMFYSA-N 0 0 456.167 4.791 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 ZINC001360770418 1065866779 /nfs/dbraw/zinc/86/67/79/1065866779.db2.gz CQXCVYUTZVRFLO-UHFFFAOYSA-N 0 0 456.955 4.500 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1OC(F)(F)F ZINC001360770529 1065866794 /nfs/dbraw/zinc/86/67/94/1065866794.db2.gz FJQDNLLEYPYAKS-NRFANRHFSA-N 0 0 456.464 4.551 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001439737290 1065867801 /nfs/dbraw/zinc/86/78/01/1065867801.db2.gz OJYDPAFHNYSCSA-SFHVURJKSA-N 0 0 455.769 4.837 20 0 JJADRN CCn1c(SCC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC001360771539 1065867948 /nfs/dbraw/zinc/86/79/48/1065867948.db2.gz BGXZVSPHRWPWMI-IERDGZPVSA-N 0 0 459.015 4.911 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C ZINC001360771679 1065868706 /nfs/dbraw/zinc/86/87/06/1065868706.db2.gz BURTWIGTBIPWTH-MJGOQNOKSA-N 0 0 455.582 4.709 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC(=O)NCC(F)(F)F ZINC001360771699 1065868748 /nfs/dbraw/zinc/86/87/48/1065868748.db2.gz BZVPLGPOLYBLCQ-GDBMZVCRSA-N 0 0 497.518 4.639 20 0 JJADRN COC(=O)c1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1F ZINC001439746610 1065869408 /nfs/dbraw/zinc/86/94/08/1065869408.db2.gz TXNXKDFQNYJUPG-UHFFFAOYSA-N 0 0 455.330 4.741 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001360771886 1065869602 /nfs/dbraw/zinc/86/96/02/1065869602.db2.gz DNFSGHZMECSRIG-LZJCXSABSA-N 0 0 474.621 4.892 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N=[S@](C)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC001439749484 1065870322 /nfs/dbraw/zinc/87/03/22/1065870322.db2.gz YVYBHOFZXINAMW-QHINENQFSA-N 0 0 456.608 4.767 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001360772611 1065870498 /nfs/dbraw/zinc/87/04/98/1065870498.db2.gz MNHUQWQBFXKOCP-ORAYPTAESA-N 0 0 455.407 4.800 20 0 JJADRN Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@H]3Cc3ccc(Br)cc3)CC2=O)c1C ZINC001439750324 1065870868 /nfs/dbraw/zinc/87/08/68/1065870868.db2.gz RIWMSRYSRTWLID-FPOVZHCZSA-N 0 0 455.396 4.653 20 0 JJADRN COCCOCCOc1cccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 ZINC001439757867 1065871128 /nfs/dbraw/zinc/87/11/28/1065871128.db2.gz PJYDMILWQXULSA-UHFFFAOYSA-N 0 0 450.413 4.655 20 0 JJADRN CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1C[C@@H](OCC)C1(C)C ZINC001360773350 1065871796 /nfs/dbraw/zinc/87/17/96/1065871796.db2.gz QQCOIILMCPRZHL-ZWKOTPCHSA-N 0 0 452.368 4.830 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCCOCC2)n1CCNc1ncc(Cl)cc1Cl ZINC001360773802 1065872476 /nfs/dbraw/zinc/87/24/76/1065872476.db2.gz LORKKJMITHTLHC-OAHLLOKOSA-N 0 0 495.386 4.598 20 0 JJADRN Cc1ccccc1Oc1cccc(NC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)c1 ZINC001439775420 1065873539 /nfs/dbraw/zinc/87/35/39/1065873539.db2.gz NFRJNSTULRDJEE-LJQANCHMSA-N 0 0 453.564 4.719 20 0 JJADRN Cc1ccccc1Oc1cccc(NC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)c1 ZINC001439775415 1065873553 /nfs/dbraw/zinc/87/35/53/1065873553.db2.gz NFRJNSTULRDJEE-IBGZPJMESA-N 0 0 453.564 4.719 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C1CC(C(C)(C)C)C1 ZINC001360774532 1065873939 /nfs/dbraw/zinc/87/39/39/1065873939.db2.gz OBUQMAXOSAIYAF-LWSMDNFKSA-N 0 0 478.634 4.568 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCC(C)(F)F ZINC001360774643 1065873969 /nfs/dbraw/zinc/87/39/69/1065873969.db2.gz SDTLRCNRWMTSIG-HNNXBMFYSA-N 0 0 479.469 4.677 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001439776563 1065874248 /nfs/dbraw/zinc/87/42/48/1065874248.db2.gz XKNQIPXELDXSPL-HZPDHXFCSA-N 0 0 457.368 4.572 20 0 JJADRN C[C@@H](N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccs2)CC1)C(F)(F)F ZINC001360774809 1065874479 /nfs/dbraw/zinc/87/44/79/1065874479.db2.gz UBDOCLZEQSDICO-DLBZAZTESA-N 0 0 497.562 4.934 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1 ZINC001439785768 1065876418 /nfs/dbraw/zinc/87/64/18/1065876418.db2.gz GSBCVXAFMGOBEF-GCJKJVERSA-N 0 0 456.608 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)C(C)(C)c3cccc4ccccc43)CC2)C1 ZINC001439789166 1065877410 /nfs/dbraw/zinc/87/74/10/1065877410.db2.gz PCULPNZWBBRHMF-UHFFFAOYSA-N 0 0 452.595 4.744 20 0 JJADRN NC(=O)c1c(F)cc(Cl)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001439791111 1065878105 /nfs/dbraw/zinc/87/81/05/1065878105.db2.gz GXZPQHMXOOOBBW-UHFFFAOYSA-N 0 0 457.836 4.902 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCSCC(F)(F)F ZINC001360775602 1065878632 /nfs/dbraw/zinc/87/86/32/1065878632.db2.gz WPFFMQIGQLMATF-IIBYNOLFSA-N 0 0 488.551 4.860 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)ccc2N2CCC(C)CC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001439793685 1065878604 /nfs/dbraw/zinc/87/86/04/1065878604.db2.gz QISVNXCXKGETEO-UHFFFAOYSA-N 0 0 451.546 4.991 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC001439793630 1065878770 /nfs/dbraw/zinc/87/87/70/1065878770.db2.gz PMTUPZOGSQJFIP-MRXNPFEDSA-N 0 0 454.571 4.971 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCCC(C)(C)C ZINC001360775572 1065878864 /nfs/dbraw/zinc/87/88/64/1065878864.db2.gz WGVRCBMWYLITNJ-RBUKOAKNSA-N 0 0 471.621 4.879 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC1(F)CCC1 ZINC001360775738 1065879387 /nfs/dbraw/zinc/87/93/87/1065879387.db2.gz ZBMISNLOKGXLBG-MOPGFXCFSA-N 0 0 489.611 4.971 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001439797283 1065879479 /nfs/dbraw/zinc/87/94/79/1065879479.db2.gz FGESWEVMFOULRH-HNNXBMFYSA-N 0 0 457.695 4.755 20 0 JJADRN O=C(Nc1c(F)ccc(Br)c1F)c1cnn(-c2ccccc2)c1Br ZINC001439798602 1065880004 /nfs/dbraw/zinc/88/00/04/1065880004.db2.gz XASZFVKURZFEMO-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC1(F)CCC1 ZINC001360775741 1065880145 /nfs/dbraw/zinc/88/01/45/1065880145.db2.gz ZBMISNLOKGXLBG-RTBURBONSA-N 0 0 489.611 4.971 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001360777595 1065881973 /nfs/dbraw/zinc/88/19/73/1065881973.db2.gz BIBRXXMIPZZOEA-CYBMUJFWSA-N 0 0 485.507 4.696 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001360777532 1065882136 /nfs/dbraw/zinc/88/21/36/1065882136.db2.gz ANPNPJDCWPKQTB-IAGOWNOFSA-N 0 0 489.617 4.850 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360777827 1065882551 /nfs/dbraw/zinc/88/25/51/1065882551.db2.gz GNMDBSWIDHOWKN-HLIPFELVSA-N 0 0 471.552 4.972 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC(C)(C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001360777857 1065882564 /nfs/dbraw/zinc/88/25/64/1065882564.db2.gz HBJKIAJRRWLKFD-HJPURHCSSA-N 0 0 476.643 4.858 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)N1CCC(F)(C2CC2)CC1 ZINC001439828329 1065883625 /nfs/dbraw/zinc/88/36/25/1065883625.db2.gz XLSXNGKHFKXRSS-UHFFFAOYSA-N 0 0 459.359 4.985 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC001439825729 1065883701 /nfs/dbraw/zinc/88/37/01/1065883701.db2.gz MSJQGEVFNLYIIB-LSDHHAIUSA-N 0 0 451.350 4.647 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCSC2)CCS1 ZINC001360778307 1065884571 /nfs/dbraw/zinc/88/45/71/1065884571.db2.gz NQBDGNFXGCJYHW-SQGPQFPESA-N 0 0 450.649 4.888 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC3(CCCCC3)C2)n1CCCCCCO ZINC001360778394 1065884611 /nfs/dbraw/zinc/88/46/11/1065884611.db2.gz OZQASAIGRKYSHV-HXUWFJFHSA-N 0 0 460.594 4.649 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001360778312 1065884646 /nfs/dbraw/zinc/88/46/46/1065884646.db2.gz NSDHHMIVNMHPKM-XHNVNVPESA-N 0 0 460.594 4.624 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360778612 1065884968 /nfs/dbraw/zinc/88/49/68/1065884968.db2.gz QICNEDUFAMGMOF-OAHLLOKOSA-N 0 0 479.478 4.635 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(OCCOC)c(Br)c2)c(C)n1 ZINC001439833963 1065884969 /nfs/dbraw/zinc/88/49/69/1065884969.db2.gz YMJZAYNZFJTNTG-ZDUSSCGKSA-N 0 0 450.377 4.576 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C2CCC2)cc1 ZINC001439836201 1065885022 /nfs/dbraw/zinc/88/50/22/1065885022.db2.gz RQRWTWHHUJBJDU-GMAHTHKFSA-N 0 0 456.970 4.619 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)C2CCC2)cc1 ZINC001439836208 1065885099 /nfs/dbraw/zinc/88/50/99/1065885099.db2.gz 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20 0 JJADRN COC(=O)[C@@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)c1ccc(C(F)(F)F)cc1 ZINC001439851187 1065886414 /nfs/dbraw/zinc/88/64/14/1065886414.db2.gz CODLHCGCTHHZSM-NRFANRHFSA-N 0 0 458.436 4.632 20 0 JJADRN C[C@H](OCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 ZINC001360779839 1065887639 /nfs/dbraw/zinc/88/76/39/1065887639.db2.gz BQZQWVAIHUSQCT-ACIOBRDBSA-N 0 0 456.631 4.734 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)ccc2s1 ZINC001439868871 1065887885 /nfs/dbraw/zinc/88/78/85/1065887885.db2.gz ALXPBUBQZHIGGV-UHFFFAOYSA-N 0 0 452.532 4.675 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)C[C@H]3C(=O)Nc4c3cccc4Br)ccc2s1 ZINC001439873235 1065888381 /nfs/dbraw/zinc/88/83/81/1065888381.db2.gz MRGIJTNYDFOPIV-CYBMUJFWSA-N 0 0 459.321 4.515 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001360780428 1065888750 /nfs/dbraw/zinc/88/87/50/1065888750.db2.gz HLVRTQGYZMYDSK-JENIJYKNSA-N 0 0 499.591 4.680 20 0 JJADRN 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ZINC001439959682 1065897267 /nfs/dbraw/zinc/89/72/67/1065897267.db2.gz GKEDIAHXUNDOQF-HXUWFJFHSA-N 0 0 457.452 4.903 20 0 JJADRN O=C(NCc1cnc2n1CCOC2)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001439968114 1065899272 /nfs/dbraw/zinc/89/92/72/1065899272.db2.gz QANHYVBIBGSSGR-UHFFFAOYSA-N 0 0 451.445 4.652 20 0 JJADRN CCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)c1cccc(Cl)c1 ZINC001360785716 1065900014 /nfs/dbraw/zinc/90/00/14/1065900014.db2.gz BBHOPTRHPHTHKR-NZQKXSOJSA-N 0 0 457.014 4.979 20 0 JJADRN COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC001439972258 1065900039 /nfs/dbraw/zinc/90/00/39/1065900039.db2.gz OSMNTEPSMIXJSR-DEOSSOPVSA-N 0 0 455.580 4.557 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 ZINC001439987663 1065900071 /nfs/dbraw/zinc/90/00/71/1065900071.db2.gz SJQBLDIISGQWTP-UHFFFAOYSA-N 0 0 456.384 4.965 20 0 JJADRN CCOc1ccc(CCN(C)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC001439984549 1065900196 /nfs/dbraw/zinc/90/01/96/1065900196.db2.gz 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ZINC001440028486 1065904708 /nfs/dbraw/zinc/90/47/08/1065904708.db2.gz PFUIPUWKQYYUDF-XHSDSOJGSA-N 0 0 452.567 4.985 20 0 JJADRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC001360790024 1065905056 /nfs/dbraw/zinc/90/50/56/1065905056.db2.gz XRHKOIQGSOQHQR-UHFFFAOYSA-N 0 0 458.489 4.523 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccnc(Oc3ccc(F)cc3F)c1)C2 ZINC001440030338 1065905208 /nfs/dbraw/zinc/90/52/08/1065905208.db2.gz VWBUNMSGNNJWPL-WBAXXEDZSA-N 0 0 459.493 4.670 20 0 JJADRN CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)c2cc(Br)ccc21 ZINC001440042473 1065906572 /nfs/dbraw/zinc/90/65/72/1065906572.db2.gz DKVAZZIJCIPVBV-UHFFFAOYSA-N 0 0 450.174 4.726 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCSC[C@@H]1C(F)(F)F ZINC001440049506 1065906979 /nfs/dbraw/zinc/90/69/79/1065906979.db2.gz IMXJPYICPBRMIP-GOEBONIOSA-N 0 0 454.352 4.541 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)oc1Br ZINC001360792878 1065907591 /nfs/dbraw/zinc/90/75/91/1065907591.db2.gz 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PPKBLZPIMALASH-HNNXBMFYSA-N 0 0 482.467 4.976 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCSC2)CC1 ZINC001360853883 1065971765 /nfs/dbraw/zinc/97/17/65/1065971765.db2.gz MBVCICWJQBEXLW-INIZCTEOSA-N 0 0 453.475 4.953 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCOc3ccccc3)n2CCC(C)(F)F)CC1 ZINC001360854006 1065972118 /nfs/dbraw/zinc/97/21/18/1065972118.db2.gz PBCDWXRKIRAFJS-UHFFFAOYSA-N 0 0 455.347 4.824 20 0 JJADRN CC1=C(Br)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001360853984 1065972180 /nfs/dbraw/zinc/97/21/80/1065972180.db2.gz OIGZFYSZJVNUDM-MSOLQXFVSA-N 0 0 463.395 4.917 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3O2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440734327 1065972959 /nfs/dbraw/zinc/97/29/59/1065972959.db2.gz OHUIJLHAZYHZIK-OAQYLSRUSA-N 0 0 456.951 4.782 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@H](C)c2ccccc2)CC1 ZINC001360854220 1065973154 /nfs/dbraw/zinc/97/31/54/1065973154.db2.gz STGVSJZQIBVRTK-SFHVURJKSA-N 0 0 452.400 4.947 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440737105 1065973339 /nfs/dbraw/zinc/97/33/39/1065973339.db2.gz YZZGYNJWQBWKIS-GOSISDBHSA-N 0 0 456.999 4.987 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001360854350 1065973466 /nfs/dbraw/zinc/97/34/66/1065973466.db2.gz YKYUGBNGNXZEFK-HXUWFJFHSA-N 0 0 475.431 4.674 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)=C(Br)C2)s1 ZINC001360854356 1065973619 /nfs/dbraw/zinc/97/36/19/1065973619.db2.gz UTIYBHDPLWIART-HNNXBMFYSA-N 0 0 473.444 4.712 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)C)n2Cc2cnn(-c3ccccc3)c2)CC1 ZINC001360854512 1065974029 /nfs/dbraw/zinc/97/40/29/1065974029.db2.gz XSLOXMMRWRVLMZ-UHFFFAOYSA-N 0 0 455.404 4.590 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c1 ZINC001360855132 1065974515 /nfs/dbraw/zinc/97/45/15/1065974515.db2.gz LRSFHQMHGQCYPU-JTQLQIEISA-N 0 0 450.226 4.813 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001360856253 1065974814 /nfs/dbraw/zinc/97/48/14/1065974814.db2.gz ONQWFYSJMSKLHS-PKNBQFBNSA-N 0 0 456.489 4.830 20 0 JJADRN O=C(OCCCn1nc2ccccn2c1=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC001360857393 1065974854 /nfs/dbraw/zinc/97/48/54/1065974854.db2.gz YEACHOQSIDUDST-UHFFFAOYSA-N 0 0 458.301 4.842 20 0 JJADRN CCc1noc(-c2ccc(CCNC(=O)c3sc(-c4ccc(F)c(F)c4)nc3C)cc2)n1 ZINC001360856208 1065974875 /nfs/dbraw/zinc/97/48/75/1065974875.db2.gz MWLCDIQSXHRTFU-UHFFFAOYSA-N 0 0 454.502 4.982 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001360857531 1065975360 /nfs/dbraw/zinc/97/53/60/1065975360.db2.gz CENJWSXXFHJSFD-IRXDYDNUSA-N 0 0 479.394 4.548 20 0 JJADRN COc1cc(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C ZINC001440748398 1065975527 /nfs/dbraw/zinc/97/55/27/1065975527.db2.gz VWALAVFWDHJEHP-NRFANRHFSA-N 0 0 456.583 4.625 20 0 JJADRN COc1cccc(N(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C(=O)OC(C)(C)C)c1 ZINC001440747264 1065975590 /nfs/dbraw/zinc/97/55/90/1065975590.db2.gz LXUWUORTMNTRSR-UHFFFAOYSA-N 0 0 450.482 4.697 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCCC(F)(F)F)CC1 ZINC001360857583 1065975592 /nfs/dbraw/zinc/97/55/92/1065975592.db2.gz FJSBVSGGFRLNBW-UHFFFAOYSA-N 0 0 479.478 4.727 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)=C(Br)C3)n2Cc2c(F)cccc2Cl)n1 ZINC001360857730 1065975691 /nfs/dbraw/zinc/97/56/91/1065975691.db2.gz KQYRPBNPTFDUJB-UHFFFAOYSA-N 0 0 493.812 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2Cn2cccn2)CC[C@H]2CCCC[C@@H]21 ZINC001440750377 1065976087 /nfs/dbraw/zinc/97/60/87/1065976087.db2.gz CHVGLAOUIWAXLO-OIBXWCBGSA-N 0 0 452.599 4.506 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1nc(Br)sc1Cl ZINC001545935559 1065976484 /nfs/dbraw/zinc/97/64/84/1065976484.db2.gz LVQYCIZIEDNUSX-UHFFFAOYSA-N 0 0 458.687 4.560 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCCOCC2CC2)c1 ZINC001360857931 1065976310 /nfs/dbraw/zinc/97/63/10/1065976310.db2.gz RHCAZMFUMYGFAW-UHFFFAOYSA-N 0 0 475.431 4.861 20 0 JJADRN Cc1ccc(SCc2nnc(N3CCC(C)=C(Br)C3)n2CC[C@@H]2COCCO2)cc1 ZINC001360857869 1065976357 /nfs/dbraw/zinc/97/63/57/1065976357.db2.gz PIJXXWNNPJTLQN-GOSISDBHSA-N 0 0 493.471 4.563 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001440752959 1065976547 /nfs/dbraw/zinc/97/65/47/1065976547.db2.gz QFCLZVXZMHPOTN-QGZVFWFLSA-N 0 0 456.384 4.937 20 0 JJADRN CC1=C(Br)CN(c2nnc(COc3ccc(F)cc3)n2CC2CC(F)(F)C2)CC1 ZINC001360857947 1065976999 /nfs/dbraw/zinc/97/69/99/1065976999.db2.gz RPJUZDZNIDFMPD-UHFFFAOYSA-N 0 0 471.321 4.921 20 0 JJADRN CC(C)c1nc2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(Br)cc3)ccc2o1 ZINC001440758343 1065976979 /nfs/dbraw/zinc/97/69/79/1065976979.db2.gz YFDXJJCBPJUUPF-SFHVURJKSA-N 0 0 456.340 4.843 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)c2)cc1 ZINC001440757618 1065977186 /nfs/dbraw/zinc/97/71/86/1065977186.db2.gz TWAYEXRHSDECJN-UHFFFAOYSA-N 0 0 456.614 4.999 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)CC2)cc1 ZINC001440766437 1065977479 /nfs/dbraw/zinc/97/74/79/1065977479.db2.gz BKTATXMTCKEZPN-UHFFFAOYSA-N 0 0 454.636 4.701 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](C)C1 ZINC001360858480 1065977769 /nfs/dbraw/zinc/97/77/69/1065977769.db2.gz MFNIVOXGDPRBQL-ICSRJNTNSA-N 0 0 483.588 4.905 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001360858427 1065977777 /nfs/dbraw/zinc/97/77/77/1065977777.db2.gz KXZBSVXJPBRPJH-QGZVFWFLSA-N 0 0 477.943 4.802 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](C)C1 ZINC001360858481 1065977849 /nfs/dbraw/zinc/97/78/49/1065977849.db2.gz MFNIVOXGDPRBQL-QUCCMNQESA-N 0 0 483.588 4.905 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC(C)(C)C1 ZINC001360858446 1065977862 /nfs/dbraw/zinc/97/78/62/1065977862.db2.gz LGYQLFSVYIPEJL-UHFFFAOYSA-N 0 0 487.551 4.894 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC001440770405 1065977870 /nfs/dbraw/zinc/97/78/70/1065977870.db2.gz KHDJQNLZDQOABQ-GOSISDBHSA-N 0 0 453.587 4.647 20 0 JJADRN CC[C@@]1(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001440769824 1065977985 /nfs/dbraw/zinc/97/79/85/1065977985.db2.gz PBUFQGZKOBPZSP-RLWLMLJZSA-N 0 0 452.599 4.605 20 0 JJADRN O=C([C@@H](Sc1cc(F)ccc1F)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001440773773 1065978349 /nfs/dbraw/zinc/97/83/49/1065978349.db2.gz TZUSGRIJMPZNKK-DEOSSOPVSA-N 0 0 454.542 4.848 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001360858586 1065978302 /nfs/dbraw/zinc/97/83/02/1065978302.db2.gz OZSPFIDTCGOJAF-COPCDDAFSA-N 0 0 479.625 4.991 20 0 JJADRN O=C([C@H](Sc1cc(F)ccc1F)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC001440773775 1065978484 /nfs/dbraw/zinc/97/84/84/1065978484.db2.gz TZUSGRIJMPZNKK-XMMPIXPASA-N 0 0 454.542 4.848 20 0 JJADRN CCOCCOCc1cccc(NC(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)c1C ZINC001360859115 1065978600 /nfs/dbraw/zinc/97/86/00/1065978600.db2.gz GUGNCEGXNXAUQN-YADHBBJMSA-N 0 0 458.555 4.750 20 0 JJADRN O=C(Cc1ccc(C2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001440780702 1065978907 /nfs/dbraw/zinc/97/89/07/1065978907.db2.gz FIRGNBCEFUWDCA-UHFFFAOYSA-N 0 0 454.636 4.768 20 0 JJADRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)ccn1 ZINC001360861114 1065979334 /nfs/dbraw/zinc/97/93/34/1065979334.db2.gz ZWOSBVUDTKWBHP-MRXNPFEDSA-N 0 0 454.521 4.778 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 ZINC001360861969 1065979997 /nfs/dbraw/zinc/97/99/97/1065979997.db2.gz ALOVRRILOFDHRD-FQEVSTJZSA-N 0 0 483.588 4.590 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](F)C2)c1C ZINC001360862227 1065980223 /nfs/dbraw/zinc/98/02/23/1065980223.db2.gz JGWZKEIAFBRVML-MJGOQNOKSA-N 0 0 470.980 4.823 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC001545935911 1065980344 /nfs/dbraw/zinc/98/03/44/1065980344.db2.gz WDMTUSIGECLBDG-UHFFFAOYSA-N 0 0 455.786 4.684 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cs1 ZINC001440818836 1065980668 /nfs/dbraw/zinc/98/06/68/1065980668.db2.gz OOZIVSYRAZQNLB-KSSFIOAISA-N 0 0 455.584 4.593 20 0 JJADRN Cc1c(Br)cnn1CC(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC001440816305 1065980922 /nfs/dbraw/zinc/98/09/22/1065980922.db2.gz FIDGDLHHUPECBA-UHFFFAOYSA-N 0 0 457.397 4.763 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCSC2(C)C)c1C ZINC001360862790 1065981464 /nfs/dbraw/zinc/98/14/64/1065981464.db2.gz WPXJTTKJFPCRTJ-HXUWFJFHSA-N 0 0 464.639 4.564 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001440825761 1065982138 /nfs/dbraw/zinc/98/21/38/1065982138.db2.gz NKGMJGCYYOFFHR-JOCHJYFZSA-N 0 0 454.567 4.952 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccccc3Br)CCCCC2)cc1 ZINC001440832419 1065982524 /nfs/dbraw/zinc/98/25/24/1065982524.db2.gz UJXWVGTUMKEWHB-UHFFFAOYSA-N 0 0 451.386 4.661 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1Cl ZINC001440833538 1065982928 /nfs/dbraw/zinc/98/29/28/1065982928.db2.gz JKYGEDAWRBBBQU-UHFFFAOYSA-N 0 0 455.971 4.573 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001440837084 1065983089 /nfs/dbraw/zinc/98/30/89/1065983089.db2.gz VRVUXBPBBIDBGU-TZIWHRDSSA-N 0 0 476.476 4.608 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@]2(O)CCCC2(C)C)c1C ZINC001360864943 1065982959 /nfs/dbraw/zinc/98/29/59/1065982959.db2.gz MIOHRHNLIPUHBM-HHHXNRCGSA-N 0 0 467.658 4.644 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360864806 1065983205 /nfs/dbraw/zinc/98/32/05/1065983205.db2.gz IYGSYRUHVDIUIL-UHFFFAOYSA-N 0 0 450.587 4.571 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N[C@@H]3CCCc4[nH]c(=O)ccc43)cc21 ZINC001440850751 1065983530 /nfs/dbraw/zinc/98/35/30/1065983530.db2.gz HRJIEQLIMXDYEJ-XMSQKQJNSA-N 0 0 451.567 4.539 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1C ZINC001360865145 1065983565 /nfs/dbraw/zinc/98/35/65/1065983565.db2.gz SOMOKKBFUKIVBZ-SGIRGMQISA-N 0 0 497.684 4.705 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCc2nccs2)c1C ZINC001360865096 1065983619 /nfs/dbraw/zinc/98/36/19/1065983619.db2.gz RIBXJQMYORZXKX-UHFFFAOYSA-N 0 0 452.628 4.717 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2cccs2)cc1 ZINC001440863403 1065984306 /nfs/dbraw/zinc/98/43/06/1065984306.db2.gz BKCFQYCXMZYZJQ-NFBKMPQASA-N 0 0 458.624 4.932 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC2(c3ccccn3)CCC2)c1C ZINC001360865663 1065985221 /nfs/dbraw/zinc/98/52/21/1065985221.db2.gz GNWRAIACVQGXEC-QFIPXVFZSA-N 0 0 490.652 4.513 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCOC1 ZINC001360865840 1065985946 /nfs/dbraw/zinc/98/59/46/1065985946.db2.gz JIOVOERDAFZWFV-VQTJNVASSA-N 0 0 455.628 4.863 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCCN2CCOC2=O)c1C ZINC001360865849 1065986390 /nfs/dbraw/zinc/98/63/90/1065986390.db2.gz JMJWXQMPXLXPGR-LJQANCHMSA-N 0 0 499.015 4.562 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2)c1C ZINC001360865974 1065986414 /nfs/dbraw/zinc/98/64/14/1065986414.db2.gz KTAXAPCVDMRFNL-MIZPHKNDSA-N 0 0 485.698 4.642 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)c3cccs3)n2CCCS(C)(=O)=O)c1C ZINC001360865875 1065986487 /nfs/dbraw/zinc/98/64/87/1065986487.db2.gz JUVLEKRTWPDETA-MOPGFXCFSA-N 0 0 476.668 4.729 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2n[nH]c(C(C)C)c2Br)cc1 ZINC001440870678 1065986409 /nfs/dbraw/zinc/98/64/09/1065986409.db2.gz DPYXYXUWHFZGBS-UHFFFAOYSA-N 0 0 457.328 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@H](C)c1cccc(C)c1 ZINC001545936143 1065986569 /nfs/dbraw/zinc/98/65/69/1065986569.db2.gz CQZXDWCVCJZDLJ-NRFANRHFSA-N 0 0 467.658 4.848 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC(=O)NC(C)(C)C)sc1C ZINC001360866071 1065986977 /nfs/dbraw/zinc/98/69/77/1065986977.db2.gz MKLFTEGNZZPVBE-IBGZPJMESA-N 0 0 498.697 4.702 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC(=O)NC(C)(C)C)sc1C ZINC001360866072 1065987056 /nfs/dbraw/zinc/98/70/56/1065987056.db2.gz MKLFTEGNZZPVBE-LJQANCHMSA-N 0 0 498.697 4.702 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCC[C@H]1C ZINC001360866144 1065987367 /nfs/dbraw/zinc/98/73/67/1065987367.db2.gz NHTHFYUVIZVCEU-YXLNAYJUSA-N 0 0 480.657 4.573 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCC[C@H]1C ZINC001360866143 1065987559 /nfs/dbraw/zinc/98/75/59/1065987559.db2.gz NHTHFYUVIZVCEU-RKQHAZBESA-N 0 0 480.657 4.573 20 0 JJADRN O=C(N1CCCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)c1ccccc1Br ZINC001440873313 1065987534 /nfs/dbraw/zinc/98/75/34/1065987534.db2.gz ZPSDPBUFZIZWMV-UHFFFAOYSA-N 0 0 457.746 4.929 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(Cl)c(Br)cc1F)c1nccn1C ZINC001440877269 1065988138 /nfs/dbraw/zinc/98/81/38/1065988138.db2.gz YGMYTNIXJAUQQF-QGZVFWFLSA-N 0 0 452.711 4.503 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CCC(C)CC3)n2CCC(=O)NC(C)C)c1C ZINC001360866683 1065989723 /nfs/dbraw/zinc/98/97/23/1065989723.db2.gz XIYOYCYNMRLLHR-QUENFVSXSA-N 0 0 455.647 4.965 20 0 JJADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)c1 ZINC001440884454 1065989697 /nfs/dbraw/zinc/98/96/97/1065989697.db2.gz OTEKZDPVYFNGHD-QHCPKHFHSA-N 0 0 456.995 4.742 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)C)n2CCc2nnc3n2CCCCC3)c1C ZINC001360866704 1065990359 /nfs/dbraw/zinc/99/03/59/1065990359.db2.gz XQXZLSIZDHDOTQ-NRFANRHFSA-N 0 0 465.646 4.688 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001440890658 1065990424 /nfs/dbraw/zinc/99/04/24/1065990424.db2.gz BCFRACFPLNKPTD-XMMPIXPASA-N 0 0 456.542 4.844 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC001440886116 1065990490 /nfs/dbraw/zinc/99/04/90/1065990490.db2.gz XIDUHUYTCKKOME-FQEVSTJZSA-N 0 0 455.484 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1C[C@@H](C)Sc1ccccc1 ZINC001545936548 1065990538 /nfs/dbraw/zinc/99/05/38/1065990538.db2.gz OGKIQVAYSWSQSD-LJQANCHMSA-N 0 0 471.671 4.527 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2c(C)nn(CC(F)F)c2C)c2c[nH]c3ccccc32)cc1 ZINC001440895168 1065991427 /nfs/dbraw/zinc/99/14/27/1065991427.db2.gz PYERZSRJNCNVOH-HXUWFJFHSA-N 0 0 452.505 4.817 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC3CCOCC3)n2CC2=CCCOC2)c1C ZINC001360868333 1065991721 /nfs/dbraw/zinc/99/17/21/1065991721.db2.gz BGHHOXIYVPOZSF-OAQYLSRUSA-N 0 0 454.615 4.635 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2CCCO2)c1C ZINC001360868362 1065991828 /nfs/dbraw/zinc/99/18/28/1065991828.db2.gz CHICVQDWPOPGTD-IFMALSPDSA-N 0 0 464.614 4.764 20 0 JJADRN COc1c(Br)cc(Cl)cc1NC(=O)c1cc(F)c(Br)cc1N ZINC001440898007 1065991919 /nfs/dbraw/zinc/99/19/19/1065991919.db2.gz NSXZQRZOTLLPLU-UHFFFAOYSA-N 0 0 452.505 4.847 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001440899327 1065992523 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BMPVJNCKRBBPBC-RBBKRZOGSA-N 0 0 497.684 4.687 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360868745 1065994009 /nfs/dbraw/zinc/99/40/09/1065994009.db2.gz BIIVTXCHFISMQE-YMPZKCBVSA-N 0 0 469.674 4.628 20 0 JJADRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC001440919338 1065993995 /nfs/dbraw/zinc/99/39/95/1065993995.db2.gz FGZOBIFXSYRPLU-DBLSVSNQSA-N 0 0 454.979 4.761 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360868815 1065994287 /nfs/dbraw/zinc/99/42/87/1065994287.db2.gz BUBYOLHNAZNSBR-JAXLGGSGSA-N 0 0 456.631 4.855 20 0 JJADRN COc1ccccc1/C(C)=C\C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440922412 1065994413 /nfs/dbraw/zinc/99/44/13/1065994413.db2.gz OVTADFMVNHOTIF-UJZLGWIISA-N 0 0 456.951 4.605 20 0 JJADRN O=C(Cc1ccc2c(c1)CCCC2)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001440923472 1065994475 /nfs/dbraw/zinc/99/44/75/1065994475.db2.gz RBBNFRZUCWGTFR-STZFKDTASA-N 0 0 454.979 4.614 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cnn(C2CCCCC2)c1 ZINC001440923452 1065994549 /nfs/dbraw/zinc/99/45/49/1065994549.db2.gz QSEUAWBORXDJAF-XDHOZWIPSA-N 0 0 458.971 4.508 20 0 JJADRN Cc1sc(NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)nc1-c1ccc(OC(F)F)cc1 ZINC001440924373 1065994784 /nfs/dbraw/zinc/99/47/84/1065994784.db2.gz OWVUJNFOYRYGPJ-HNNXBMFYSA-N 0 0 454.543 4.781 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC001440926710 1065994794 /nfs/dbraw/zinc/99/47/94/1065994794.db2.gz ORGLXGXQRHTUPK-UHFFFAOYSA-N 0 0 455.457 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001440924919 1065994852 /nfs/dbraw/zinc/99/48/52/1065994852.db2.gz QRGWBBGENGGJFY-FQEVSTJZSA-N 0 0 451.548 4.744 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1F ZINC001440936491 1065995758 /nfs/dbraw/zinc/99/57/58/1065995758.db2.gz IBMWVKAMSNJQEC-UHFFFAOYSA-N 0 0 454.477 4.560 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360869045 1065995772 /nfs/dbraw/zinc/99/57/72/1065995772.db2.gz LXUAWMHAZIPUIY-IFMALSPDSA-N 0 0 497.606 4.780 20 0 JJADRN COC(=O)C1(NC(=O)c2cc(Nc3nccc(C(F)(F)F)n3)ccc2C)CCCCCC1 ZINC001440937157 1065995806 /nfs/dbraw/zinc/99/58/06/1065995806.db2.gz BHKLNPPJHYOAGN-UHFFFAOYSA-N 0 0 450.461 4.543 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1C ZINC001360869051 1065995967 /nfs/dbraw/zinc/99/59/67/1065995967.db2.gz LXUAWMHAZIPUIY-RBBKRZOGSA-N 0 0 497.606 4.780 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCN2CCOC2=O)c1C ZINC001360869234 1065996569 /nfs/dbraw/zinc/99/65/69/1065996569.db2.gz FXPIWGDMFZGTGY-NQIIRXRSSA-N 0 0 469.630 4.750 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCCS(C)(=O)=O)n2CC2CCC(F)(F)CC2)c1C ZINC001360869275 1065996975 /nfs/dbraw/zinc/99/69/75/1065996975.db2.gz NMPMNDFZKGBCCD-IBGZPJMESA-N 0 0 498.640 4.731 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCNC(=O)c2ccco2)c1C ZINC001360869288 1065997173 /nfs/dbraw/zinc/99/71/73/1065997173.db2.gz GHLQMOPYKKONHJ-LEWJYISDSA-N 0 0 479.625 4.930 20 0 JJADRN CCc1ccc(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c(O)c1 ZINC001440960110 1065997233 /nfs/dbraw/zinc/99/72/33/1065997233.db2.gz MADAJFVUTQZRAQ-UHFFFAOYSA-N 0 0 457.324 4.591 20 0 JJADRN Cn1ccnc1Sc1ccc(NC(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)cc1 ZINC001440965330 1065997442 /nfs/dbraw/zinc/99/74/42/1065997442.db2.gz GJUSLIXMQXPBMI-UHFFFAOYSA-N 0 0 451.552 4.516 20 0 JJADRN Cn1ccnc1Sc1ccc(NC(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001440969726 1065997820 /nfs/dbraw/zinc/99/78/20/1065997820.db2.gz XLJAFUMBNJZVPP-UHFFFAOYSA-N 0 0 452.580 4.891 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CCCC(C)C)c1C ZINC001360869767 1065998693 /nfs/dbraw/zinc/99/86/93/1065998693.db2.gz JULHPJMFAGSQGD-QHCPKHFHSA-N 0 0 497.684 4.546 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001441004183 1065999123 /nfs/dbraw/zinc/99/91/23/1065999123.db2.gz LWMWFYHFRRNSPT-UHFFFAOYSA-N 0 0 458.986 4.758 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC2CCOCC2)c1C ZINC001360869774 1065999237 /nfs/dbraw/zinc/99/92/37/1065999237.db2.gz JVPMOGSOISMNST-GOSISDBHSA-N 0 0 494.558 4.809 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)cc1 ZINC001441005638 1065999977 /nfs/dbraw/zinc/99/99/77/1065999977.db2.gz AHFKIJRWRYEYAX-XMMPIXPASA-N 0 0 450.560 4.767 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[C@H]43)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360869805 1065999931 /nfs/dbraw/zinc/99/99/31/1065999931.db2.gz KGJZKUVZKUOGSW-QHAWAJNXSA-N 0 0 469.630 4.938 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)C(C)(C)C ZINC001441006430 1066000036 /nfs/dbraw/zinc/00/00/36/1066000036.db2.gz NPVSXWDDSOPAMW-IBGZPJMESA-N 0 0 458.628 4.974 20 0 JJADRN C[C@H]1c2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)n2CCN1C(=O)OC(C)(C)C ZINC001441008543 1066000049 /nfs/dbraw/zinc/00/00/49/1066000049.db2.gz SSVDGFUPKIJFIF-SFHVURJKSA-N 0 0 451.567 4.535 20 0 JJADRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)c1C ZINC001441011590 1066000305 /nfs/dbraw/zinc/00/03/05/1066000305.db2.gz NRQYHTBNAQNULY-UHFFFAOYSA-N 0 0 450.882 4.918 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)CC1CC1 ZINC001441013088 1066000369 /nfs/dbraw/zinc/00/03/69/1066000369.db2.gz QOLHBIXDHCBQMO-UHFFFAOYSA-N 0 0 456.612 4.682 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)F)n2Cc2ccnc(-n3cccn3)c2)c1C ZINC001360870136 1066001196 /nfs/dbraw/zinc/00/11/96/1066001196.db2.gz VMFYTWWRZBVOPK-IBGZPJMESA-N 0 0 481.551 4.755 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 ZINC001441020111 1066001424 /nfs/dbraw/zinc/00/14/24/1066001424.db2.gz XWVWDURMGZBZOL-UHFFFAOYSA-N 0 0 452.576 4.892 20 0 JJADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001441027623 1066001773 /nfs/dbraw/zinc/00/17/73/1066001773.db2.gz NFLGPMDPHRTAPF-MBSDFSHPSA-N 0 0 456.583 4.954 20 0 JJADRN COc1cc(CN(C)C(=O)Cc2cncn2Cc2ccccc2)ccc1OCc1ccccc1 ZINC001441027732 1066002210 /nfs/dbraw/zinc/00/22/10/1066002210.db2.gz HEGSBCSZWZFKBE-UHFFFAOYSA-N 0 0 455.558 4.720 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)cc(C)c(Br)c3C)CC2)c1 ZINC001441043964 1066003130 /nfs/dbraw/zinc/00/31/30/1066003130.db2.gz RJMMRYIDWMAVRG-UHFFFAOYSA-N 0 0 457.412 4.600 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC2CC2)c1C ZINC001360870697 1066003257 /nfs/dbraw/zinc/00/32/57/1066003257.db2.gz PXJFNWGDRWDVJI-VPWXQRGCSA-N 0 0 452.521 4.991 20 0 JJADRN O=C(c1cccc(F)c1)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC001441045667 1066003461 /nfs/dbraw/zinc/00/34/61/1066003461.db2.gz KODVXTNDZJSVGT-UHFFFAOYSA-N 0 0 453.901 4.655 20 0 JJADRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001441045269 1066003596 /nfs/dbraw/zinc/00/35/96/1066003596.db2.gz AQZPXHAQWXBIES-HNAYVOBHSA-N 0 0 450.366 4.964 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCc2ccc(Cl)s2)c1C ZINC001360870754 1066003749 /nfs/dbraw/zinc/00/37/49/1066003749.db2.gz QOPDHXVUPBYLHF-SJLPKXTDSA-N 0 0 488.057 4.659 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001441046949 1066004013 /nfs/dbraw/zinc/00/40/13/1066004013.db2.gz WPRPPPKGFJDRQC-SFHVURJKSA-N 0 0 456.505 4.971 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCSCC(F)(F)F)c1C ZINC001360871358 1066004723 /nfs/dbraw/zinc/00/47/23/1066004723.db2.gz WMKJFGIFESXBQF-BTXHWTSGSA-N 0 0 498.615 4.928 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001360871407 1066005223 /nfs/dbraw/zinc/00/52/23/1066005223.db2.gz OVMNYCHPYWFESW-OYHNWAKOSA-N 0 0 456.384 4.667 20 0 JJADRN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC001441066154 1066005320 /nfs/dbraw/zinc/00/53/20/1066005320.db2.gz JKFPVIAVYRHNEA-UHFFFAOYSA-N 0 0 457.427 4.505 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCCCO2)c1C ZINC001360871506 1066005507 /nfs/dbraw/zinc/00/55/07/1066005507.db2.gz XVCRBFGJFWNOCG-RTWAWAEBSA-N 0 0 456.631 4.998 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2Cc2ccncc2Cl)c1C ZINC001360871498 1066005588 /nfs/dbraw/zinc/00/55/88/1066005588.db2.gz XRTLHUMXLMTYMD-AZUAARDMSA-N 0 0 455.990 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545937921 1066005591 /nfs/dbraw/zinc/00/55/91/1066005591.db2.gz DTKSTKPFHVZBSG-JOCHJYFZSA-N 0 0 498.722 4.946 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC001441083219 1066006643 /nfs/dbraw/zinc/00/66/43/1066006643.db2.gz UUAAYEOSEKWMPK-ZAIGYWIQSA-N 0 0 474.388 4.585 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cccc(-c2nnco2)c1)NC(=O)OC(C)(C)C ZINC001441094618 1066007103 /nfs/dbraw/zinc/00/71/03/1066007103.db2.gz YNHLTTLSGDZTOY-IBGZPJMESA-N 0 0 452.511 4.730 20 0 JJADRN Cc1nc(-c2ccc([C@H](C)NC(=O)COc3ccc(C=O)cc3Br)cc2)cs1 ZINC001441092734 1066007168 /nfs/dbraw/zinc/00/71/68/1066007168.db2.gz VSZMRLLCWAQOIN-ZDUSSCGKSA-N 0 0 459.365 4.950 20 0 JJADRN Cc1nc(-c2ccc([C@H](C)NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cs1 ZINC001441091704 1066007179 /nfs/dbraw/zinc/00/71/79/1066007179.db2.gz QPEXZIDROZONQU-INIZCTEOSA-N 0 0 459.612 4.712 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2(C)CCC2)c1C ZINC001360872891 1066007123 /nfs/dbraw/zinc/00/71/23/1066007123.db2.gz APOQHGIUKCJMOL-RTWAWAEBSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](CC(C)C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360872927 1066007615 /nfs/dbraw/zinc/00/76/15/1066007615.db2.gz CGJPXZAAPUUQCR-XZOQPEGZSA-N 0 0 470.658 4.839 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](CC(C)C)C3)n2CCC2(O)CCOCC2)c1C ZINC001360872921 1066007679 /nfs/dbraw/zinc/00/76/79/1066007679.db2.gz CGJPXZAAPUUQCR-DHIUTWEWSA-N 0 0 470.658 4.839 20 0 JJADRN O=C(c1cc(=O)[nH]c(C2CC2)c1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441106055 1066007911 /nfs/dbraw/zinc/00/79/11/1066007911.db2.gz ATRWNSOQOBZASV-UHFFFAOYSA-N 0 0 452.938 4.532 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360873015 1066007948 /nfs/dbraw/zinc/00/79/48/1066007948.db2.gz DOGWCFWKCNXGID-FUMNGEBKSA-N 0 0 473.593 4.669 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](c4ccco4)C3)n2CCC(=O)NC(C)C)c1C ZINC001360873070 1066007957 /nfs/dbraw/zinc/00/79/57/1066007957.db2.gz DYDFIJPWOMZSCU-LEWJYISDSA-N 0 0 465.598 4.537 20 0 JJADRN C[C@H](OCc1ccncc1)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441114659 1066008238 /nfs/dbraw/zinc/00/82/38/1066008238.db2.gz CTCHDYHSPRQRRC-SFHVURJKSA-N 0 0 456.011 4.713 20 0 JJADRN Cc1cccc(C)c1NCC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441109201 1066008487 /nfs/dbraw/zinc/00/84/87/1066008487.db2.gz NTEVSSJLOVPUDK-UHFFFAOYSA-N 0 0 452.982 4.969 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCCNC(=O)C2CCC2)c1C ZINC001360873369 1066008794 /nfs/dbraw/zinc/00/87/94/1066008794.db2.gz DKJOACKFIKODLP-WIYYLYMNSA-N 0 0 453.631 4.578 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(F)(F)F)c1C ZINC001360873435 1066009003 /nfs/dbraw/zinc/00/90/03/1066009003.db2.gz FJHPDBHFPZDBPZ-MRXNPFEDSA-N 0 0 479.469 4.672 20 0 JJADRN COc1cccc([C@@H](C)NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1 ZINC001441119547 1066009257 /nfs/dbraw/zinc/00/92/57/1066009257.db2.gz XFSYOEJPFVWEKP-MEBBXXQBSA-N 0 0 451.308 4.590 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(I)c[nH]1 ZINC001441123817 1066009490 /nfs/dbraw/zinc/00/94/90/1066009490.db2.gz LJLRJDRKGXKHPW-UHFFFAOYSA-N 0 0 452.317 4.532 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001441124517 1066009581 /nfs/dbraw/zinc/00/95/81/1066009581.db2.gz PLRKZPXAYIUOEC-OAQYLSRUSA-N 0 0 454.979 4.992 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C[C@@H]1[C@@H]1CCCO1 ZINC001441123385 1066009724 /nfs/dbraw/zinc/00/97/24/1066009724.db2.gz FEPIWMOTZQLZLB-KYNGSXCRSA-N 0 0 457.398 4.804 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC2CCCC2)c1C ZINC001360873629 1066009768 /nfs/dbraw/zinc/00/97/68/1066009768.db2.gz HEOGKXILICKZRQ-RBBKRZOGSA-N 0 0 453.631 4.707 20 0 JJADRN O=C(NCCOc1ccc2ccccc2c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001441139226 1066010154 /nfs/dbraw/zinc/01/01/54/1066010154.db2.gz WEWUCLHIKWHLTR-UHFFFAOYSA-N 0 0 457.979 4.775 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@@H](C)CN2CCOCC2)c1C ZINC001360873968 1066011198 /nfs/dbraw/zinc/01/11/98/1066011198.db2.gz IVLRUSBSOJQYNZ-TUACAJSNSA-N 0 0 469.674 4.628 20 0 JJADRN C[C@@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC001441172111 1066011734 /nfs/dbraw/zinc/01/17/34/1066011734.db2.gz MABVNPNDMIVPSE-CQSZACIVSA-N 0 0 458.584 4.649 20 0 JJADRN COc1cc(F)c(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(Cl)c1 ZINC001441178608 1066012167 /nfs/dbraw/zinc/01/21/67/1066012167.db2.gz COYKXEJGQBAWSK-LLVKDONJSA-N 0 0 456.827 4.569 20 0 JJADRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CCOc2ccc(C(N)=O)cc2)cc1 ZINC001441178443 1066012180 /nfs/dbraw/zinc/01/21/80/1066012180.db2.gz PQFNDCLDHSORTI-UHFFFAOYSA-N 0 0 459.546 4.743 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC001441180125 1066012217 /nfs/dbraw/zinc/01/22/17/1066012217.db2.gz TXNBIFPMDBVEIG-CQSZACIVSA-N 0 0 453.457 4.914 20 0 JJADRN CN(Cc1cccc(NC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)c1)C(=O)OC(C)(C)C ZINC001441185272 1066013148 /nfs/dbraw/zinc/01/31/48/1066013148.db2.gz GILBLMDQAPPENJ-JOCHJYFZSA-N 0 0 452.473 4.919 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC(C)(C)C3)n2CC2(S(C)(=O)=O)CCC2)c1C ZINC001360874408 1066013508 /nfs/dbraw/zinc/01/35/08/1066013508.db2.gz MLOINZYMJBTVHT-FQEVSTJZSA-N 0 0 474.671 4.629 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C)C3)n2CCOc2ncccc2F)c1C ZINC001360874445 1066013803 /nfs/dbraw/zinc/01/38/03/1066013803.db2.gz MWFNVVISDMWOJN-YLJYHZDGSA-N 0 0 453.562 4.884 20 0 JJADRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC001441191084 1066014045 /nfs/dbraw/zinc/01/40/45/1066014045.db2.gz CANCRIHNLBLFCJ-ZRDIBKRKSA-N 0 0 453.558 4.645 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2ccccc2)cc1F ZINC001441201944 1066015245 /nfs/dbraw/zinc/01/52/45/1066015245.db2.gz OULPGOBSJKUSIM-UHFFFAOYSA-N 0 0 452.551 4.679 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCOC(C)C)c1C ZINC001360874876 1066015367 /nfs/dbraw/zinc/01/53/67/1066015367.db2.gz OVTQWIYHQGXFKL-IRLDBZIGSA-N 0 0 452.603 4.535 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[C@@H]2CCCCO2)c1C ZINC001360874751 1066015390 /nfs/dbraw/zinc/01/53/90/1066015390.db2.gz OJWQUZSRUIRDAL-ZEQRLZLVSA-N 0 0 497.684 4.689 20 0 JJADRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1cc2cccnc2cc1Br ZINC001545939280 1066015596 /nfs/dbraw/zinc/01/55/96/1066015596.db2.gz WVKLSAMBHUKAFV-IBGZPJMESA-N 0 0 452.274 4.507 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)c1C ZINC001360874916 1066015831 /nfs/dbraw/zinc/01/58/31/1066015831.db2.gz PIAXRVDWNBDJHD-FKVLARQCSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CCCN2CCOCC2)c1C ZINC001360875029 1066015985 /nfs/dbraw/zinc/01/59/85/1066015985.db2.gz WPJVCJAEEJWOCF-JTHBVZDNSA-N 0 0 469.674 4.630 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2Cc2nccn2C(F)F)c1C ZINC001360874991 1066016007 /nfs/dbraw/zinc/01/60/07/1066016007.db2.gz VZTNUTHBLMNMRG-OAHLLOKOSA-N 0 0 452.456 4.520 20 0 JJADRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001441223863 1066016063 /nfs/dbraw/zinc/01/60/63/1066016063.db2.gz MJVUDEWTOGDRNI-VQTJNVASSA-N 0 0 458.580 4.551 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2C[C@@H]2C)c1C ZINC001360874918 1066016112 /nfs/dbraw/zinc/01/61/12/1066016112.db2.gz PIAXRVDWNBDJHD-PDGJWGCVSA-N 0 0 467.658 4.822 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@H](C)C3)n2CCCC2CCOCC2)c1C ZINC001360875095 1066016347 /nfs/dbraw/zinc/01/63/47/1066016347.db2.gz QCPKLULMLBDMSE-IRLDBZIGSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@](C)(O)C2CC2)c1C ZINC001360875163 1066016771 /nfs/dbraw/zinc/01/67/71/1066016771.db2.gz XGOUDGPKYWRPIU-RXFWQSSRSA-N 0 0 456.631 4.590 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360875306 1066017220 /nfs/dbraw/zinc/01/72/20/1066017220.db2.gz SGIKJPZZXVFNLK-QFQXNSOFSA-N 0 0 498.697 4.615 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441234482 1066017419 /nfs/dbraw/zinc/01/74/19/1066017419.db2.gz CARJJSZAGOWQBC-LJQANCHMSA-N 0 0 456.414 4.742 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCOCCCO)c1C ZINC001360875517 1066018222 /nfs/dbraw/zinc/01/82/22/1066018222.db2.gz UPZKTODAVZSBHX-OAQYLSRUSA-N 0 0 492.611 4.840 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360875635 1066018540 /nfs/dbraw/zinc/01/85/40/1066018540.db2.gz WOPXYVDUNYEGBA-XZOQPEGZSA-N 0 0 477.653 4.963 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCO[C@H](C)C3)n2Cc2cc(C(C)(C)C)no2)c1C ZINC001360875578 1066018602 /nfs/dbraw/zinc/01/86/02/1066018602.db2.gz VUCLCMNRDVKZFM-QUCCMNQESA-N 0 0 467.614 4.984 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H](C)N2CCOCC2)c1C ZINC001360875573 1066018667 /nfs/dbraw/zinc/01/86/67/1066018667.db2.gz VSIZBKWLJGDYRG-HMXCVIKNSA-N 0 0 495.590 4.534 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C3CCC3)n2CCCC(=O)N(C)C)c1C ZINC001360875746 1066019184 /nfs/dbraw/zinc/01/91/84/1066019184.db2.gz YFJNREHDUHFJLK-IFMALSPDSA-N 0 0 453.631 4.672 20 0 JJADRN Nc1cc(Br)ccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441241454 1066019277 /nfs/dbraw/zinc/01/92/77/1066019277.db2.gz NUXYIXKPKPWDCK-INIZCTEOSA-N 0 0 457.155 4.581 20 0 JJADRN O=C(Cc1nc(C(F)(F)F)cs1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441244141 1066019778 /nfs/dbraw/zinc/01/97/78/1066019778.db2.gz SMIRKTOQGRXCRN-LBPRGKRZSA-N 0 0 452.285 4.641 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001360875900 1066020172 /nfs/dbraw/zinc/02/01/72/1066020172.db2.gz AYPBFLBECBGOFL-IUODEOHRSA-N 0 0 459.490 4.857 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)cc2)cc1 ZINC001441247077 1066020362 /nfs/dbraw/zinc/02/03/62/1066020362.db2.gz UDBMKZXODDWTTF-NTUVXCKYSA-N 0 0 456.608 4.927 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441248899 1066020434 /nfs/dbraw/zinc/02/04/34/1066020434.db2.gz YWCPPWOLXSQOGI-MRXNPFEDSA-N 0 0 458.386 4.616 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC)c1nc(C(F)(F)F)cs1 ZINC001360876462 1066020519 /nfs/dbraw/zinc/02/05/19/1066020519.db2.gz RWJKUUHCBCZDCF-IAOVAPTHSA-N 0 0 453.530 4.729 20 0 JJADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)cc1 ZINC001360876290 1066020656 /nfs/dbraw/zinc/02/06/56/1066020656.db2.gz NQVFADTYXIWTMR-UHFFFAOYSA-N 0 0 457.518 4.723 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC001441253302 1066021368 /nfs/dbraw/zinc/02/13/68/1066021368.db2.gz IVEGYNUUKGREGS-UHFFFAOYSA-N 0 0 450.888 4.765 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CCc1cc2ccccc2s1 ZINC001545939750 1066021493 /nfs/dbraw/zinc/02/14/93/1066021493.db2.gz JORJJAWEAPFWAT-MRXNPFEDSA-N 0 0 457.669 4.596 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@]2(C)CCCS2)c1C ZINC001360876831 1066021397 /nfs/dbraw/zinc/02/13/97/1066021397.db2.gz BVMGKZNTWCGSFO-HFZDXXHNSA-N 0 0 485.698 4.625 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@]2(C)CCCS2)c1C ZINC001360876834 1066021575 /nfs/dbraw/zinc/02/15/75/1066021575.db2.gz BVMGKZNTWCGSFO-RLWLMLJZSA-N 0 0 485.698 4.625 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCCC(F)(F)F)c1C ZINC001360876854 1066021608 /nfs/dbraw/zinc/02/16/08/1066021608.db2.gz CBTQLMAGDWORLN-SFTDATJTSA-N 0 0 495.590 4.678 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H](c2ccncc2)C2CCCCC2)CC1 ZINC001441271497 1066021860 /nfs/dbraw/zinc/02/18/60/1066021860.db2.gz AZXCEKRCDAVBIZ-JOCHJYFZSA-N 0 0 459.512 4.749 20 0 JJADRN Cc1nccc(-c2cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)c2)n1 ZINC001441257298 1066021964 /nfs/dbraw/zinc/02/19/64/1066021964.db2.gz UTPIKGUSTBGMKT-NRFANRHFSA-N 0 0 454.477 4.935 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCCOC(F)(F)F)c1C ZINC001360877062 1066022094 /nfs/dbraw/zinc/02/20/94/1066022094.db2.gz HDEZTAXVXOLMKL-ZVDOUQERSA-N 0 0 482.547 4.967 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360876893 1066022170 /nfs/dbraw/zinc/02/21/70/1066022170.db2.gz CWSYCOZCCLPLGS-NRFANRHFSA-N 0 0 479.625 4.882 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2nc(C(C)(C)C)cs2)c1C ZINC001360877319 1066022409 /nfs/dbraw/zinc/02/24/09/1066022409.db2.gz KHLRKHULPLKFKH-MOPGFXCFSA-N 0 0 496.681 4.539 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)/C(C)=C/c3ccc(Cl)cc3)cc2)CC1 ZINC001360877215 1066022621 /nfs/dbraw/zinc/02/26/21/1066022621.db2.gz AIYVFMNRABTROZ-WUKNDPDISA-N 0 0 454.954 4.797 20 0 JJADRN CSc1ccc(CCCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001441282876 1066022635 /nfs/dbraw/zinc/02/26/35/1066022635.db2.gz RLRZIGQRWJNPCF-UHFFFAOYSA-N 0 0 450.526 4.735 20 0 JJADRN CC(C)N(CCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)C(=O)OC(C)(C)C ZINC001441289259 1066022785 /nfs/dbraw/zinc/02/27/85/1066022785.db2.gz LRSUFNXUASGFBR-IBGZPJMESA-N 0 0 456.002 4.768 20 0 JJADRN CSc1nnc(CCCNC(=O)c2cc(C)c(Br)c(Cl)c2)n1CC(C)C ZINC001441292981 1066023258 /nfs/dbraw/zinc/02/32/58/1066023258.db2.gz REPWNMQZKVWHNA-UHFFFAOYSA-N 0 0 459.841 4.743 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1ccc(Oc2ccccc2)nc1 ZINC001545939905 1066023330 /nfs/dbraw/zinc/02/33/30/1066023330.db2.gz NNFLTBSJPWDXNY-RBUKOAKNSA-N 0 0 494.665 4.762 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c1C ZINC001360877501 1066023571 /nfs/dbraw/zinc/02/35/71/1066023571.db2.gz MCEQKQSQOBEDII-NNWRFLSQSA-N 0 0 491.627 4.627 20 0 JJADRN Cc1cccc([C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)N2CCOCC2)c1 ZINC001441303724 1066023736 /nfs/dbraw/zinc/02/37/36/1066023736.db2.gz BLBJYGIKCYUUNZ-AREMUKBSSA-N 0 0 459.590 4.546 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H]2CCSC2(C)C)c1C ZINC001360877843 1066024499 /nfs/dbraw/zinc/02/44/99/1066024499.db2.gz OONXHRVEELDNMA-FCHUYYIVSA-N 0 0 499.725 4.871 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2CCC(F)(F)CC2)c1C ZINC001360878066 1066024952 /nfs/dbraw/zinc/02/49/52/1066024952.db2.gz QWSASEXBSHXOAD-QUCCMNQESA-N 0 0 475.584 4.562 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccncc2Cl)c1C ZINC001360878247 1066025308 /nfs/dbraw/zinc/02/53/08/1066025308.db2.gz SLGCMXXUISSQSI-GOSISDBHSA-N 0 0 490.986 4.519 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360878288 1066025408 /nfs/dbraw/zinc/02/54/08/1066025408.db2.gz TZDMKBOPAYLVPS-WXVAWEFUSA-N 0 0 497.709 4.826 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](OC)[C@H](C)CC ZINC001545940082 1066025501 /nfs/dbraw/zinc/02/55/01/1066025501.db2.gz RIJVOYHWERMSQT-UYAOXDASSA-N 0 0 465.708 4.514 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1C ZINC001441315693 1066026130 /nfs/dbraw/zinc/02/61/30/1066026130.db2.gz DTIRTKHOFGNLBP-OAQYLSRUSA-N 0 0 456.949 4.549 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCCCC(F)(F)C2)c1C ZINC001360878621 1066026622 /nfs/dbraw/zinc/02/66/22/1066026622.db2.gz WWDRRFBABRHCQQ-HBMCJLEFSA-N 0 0 489.611 4.917 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOCC4(CC4)C3)n2CCSCC(F)(F)F)c1C ZINC001360878823 1066027290 /nfs/dbraw/zinc/02/72/90/1066027290.db2.gz AZWXOWTYJBWRGS-GOSISDBHSA-N 0 0 484.588 4.947 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([S@@](C)=O)CCC2)c1C ZINC001360878786 1066027318 /nfs/dbraw/zinc/02/73/18/1066027318.db2.gz ACWAPDJMEAJUEY-ZPOWSAGASA-N 0 0 488.698 4.587 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CCCOCC(F)F)c1C ZINC001360878850 1066027430 /nfs/dbraw/zinc/02/74/30/1066027430.db2.gz BJJLJRUFMGXIDP-WMZOPIPTSA-N 0 0 454.587 4.648 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360878866 1066027891 /nfs/dbraw/zinc/02/78/91/1066027891.db2.gz BOCFLMIXTXUUBJ-WIOPSUGQSA-N 0 0 497.684 4.687 20 0 JJADRN COc1cc(NC(=O)[C@H](CC(C)C)n2ccnc2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441321927 1066027831 /nfs/dbraw/zinc/02/78/31/1066027831.db2.gz LWFRUVDYDRISAB-OPYAIIAOSA-N 0 0 456.587 4.529 20 0 JJADRN CO[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1Br ZINC001441323616 1066028260 /nfs/dbraw/zinc/02/82/60/1066028260.db2.gz DFBAMWFNEFJXBE-UXHICEINSA-N 0 0 451.792 4.743 20 0 JJADRN CO[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1Br ZINC001441323622 1066028504 /nfs/dbraw/zinc/02/85/04/1066028504.db2.gz DFBAMWFNEFJXBE-VQTJNVASSA-N 0 0 451.792 4.743 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCC(=O)NC(C)(C)C)c1C ZINC001360879097 1066028583 /nfs/dbraw/zinc/02/85/83/1066028583.db2.gz FWRUWSUTCSJGJM-IFMALSPDSA-N 0 0 487.714 4.918 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001441331277 1066029596 /nfs/dbraw/zinc/02/95/96/1066029596.db2.gz CHLCNQXGBGJMAP-UHFFFAOYSA-N 0 0 459.612 4.528 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCCN2CCCCC2=O)c1C ZINC001360879167 1066029643 /nfs/dbraw/zinc/02/96/43/1066029643.db2.gz HJWXTJCMZAWCFF-VSKRKVRLSA-N 0 0 485.698 4.768 20 0 JJADRN CCCOc1ccc(CN(CCC)C(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)cc1OC ZINC001441336896 1066029938 /nfs/dbraw/zinc/02/99/38/1066029938.db2.gz KWQKZAVEMCABAF-CRAIPNDOSA-N 0 0 450.530 4.743 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC2(O)CCCC2)c1C ZINC001360879215 1066030004 /nfs/dbraw/zinc/03/00/04/1066030004.db2.gz IAUBVKGCNATGLV-QFQXNSOFSA-N 0 0 470.658 4.981 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001545940384 1066030076 /nfs/dbraw/zinc/03/00/76/1066030076.db2.gz YVFXQLXXWNCNNE-QFIPXVFZSA-N 0 0 487.714 4.892 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2C[C@@H](C)c2nccs2)c1C ZINC001360879406 1066030336 /nfs/dbraw/zinc/03/03/36/1066030336.db2.gz KRROWGFIROWIMP-IEBWSBKVSA-N 0 0 455.628 4.910 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cc2O)c2ccccc2)cc1 ZINC001441341831 1066030329 /nfs/dbraw/zinc/03/03/29/1066030329.db2.gz MKBREBYBZYFGFT-FQEVSTJZSA-N 0 0 453.336 4.963 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(F)(F)Br)c1C ZINC001360879542 1066030628 /nfs/dbraw/zinc/03/06/28/1066030628.db2.gz MFXCBVRHYYDWSI-OAHLLOKOSA-N 0 0 473.362 4.638 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC4(CCOCC4)C3)n2CCCCOC(C)C)c1C ZINC001360879485 1066030677 /nfs/dbraw/zinc/03/06/77/1066030677.db2.gz LRIPRHMDMCCLBG-HSZRJFAPSA-N 0 0 486.657 4.626 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c2ccccc2)cc1 ZINC001441343897 1066030768 /nfs/dbraw/zinc/03/07/68/1066030768.db2.gz SAWXYTZEPBICAV-KEZOAJOQSA-N 0 0 450.579 4.794 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC(C)(F)F)c1C ZINC001360879868 1066031587 /nfs/dbraw/zinc/03/15/87/1066031587.db2.gz RFCIUEHYUGDVAZ-WBVHZDCISA-N 0 0 462.463 4.848 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](c4ccco4)C3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360879951 1066032098 /nfs/dbraw/zinc/03/20/98/1066032098.db2.gz SHQSQHWRKQNUKS-UVWWXKGLSA-N 0 0 468.598 4.613 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1C ZINC001360880146 1066032329 /nfs/dbraw/zinc/03/23/29/1066032329.db2.gz WZCQLRIZUKGSQZ-BHDDXSALSA-N 0 0 497.640 4.831 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCc2nccs2)c1C ZINC001360880090 1066032500 /nfs/dbraw/zinc/03/25/00/1066032500.db2.gz VXFQSOAVWPEHJA-FPOVZHCZSA-N 0 0 455.628 4.595 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCSc2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC001441355126 1066032604 /nfs/dbraw/zinc/03/26/04/1066032604.db2.gz RXDHAONWLZUYQB-RCZVLFRGSA-N 0 0 454.636 4.992 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCSC4(CCOCC4)C3)n2CCCOC(F)F)c1C ZINC001360880316 1066032700 /nfs/dbraw/zinc/03/27/00/1066032700.db2.gz ZFVUALWXMYLCHS-LJQANCHMSA-N 0 0 496.624 4.767 20 0 JJADRN CO[C@@H](CNC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001360880443 1066033274 /nfs/dbraw/zinc/03/32/74/1066033274.db2.gz BVLDEYUBQUOBOT-OFVILXPXSA-N 0 0 458.986 4.723 20 0 JJADRN CO[C@H](CNC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001360880442 1066033286 /nfs/dbraw/zinc/03/32/86/1066033286.db2.gz BVLDEYUBQUOBOT-BWKNWUBXSA-N 0 0 458.986 4.723 20 0 JJADRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1 ZINC001441358283 1066033478 /nfs/dbraw/zinc/03/34/78/1066033478.db2.gz JQVPQJLYGDHXDV-ALCCZGGFSA-N 0 0 452.407 4.745 20 0 JJADRN O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441358237 1066033521 /nfs/dbraw/zinc/03/35/21/1066033521.db2.gz JJIPJCLDJYZNRC-IBGZPJMESA-N 0 0 453.753 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC001441358274 1066033780 /nfs/dbraw/zinc/03/37/80/1066033780.db2.gz DOCGNEJIKIUPMS-QHCPKHFHSA-N 0 0 455.643 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC001441359844 1066033978 /nfs/dbraw/zinc/03/39/78/1066033978.db2.gz SSMGYGLPOFDSCS-GOSISDBHSA-N 0 0 452.448 4.995 20 0 JJADRN C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC001441358924 1066034045 /nfs/dbraw/zinc/03/40/45/1066034045.db2.gz FCIDTXXWWBDWLC-AOMKIAJQSA-N 0 0 454.473 4.732 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC(F)(F)Br)c1C ZINC001360881182 1066034152 /nfs/dbraw/zinc/03/41/52/1066034152.db2.gz GVNSSSFHIFKTMM-SNPRPXQTSA-N 0 0 461.326 4.817 20 0 JJADRN O=C(CCc1cccc(OC(F)F)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001441360885 1066034416 /nfs/dbraw/zinc/03/44/16/1066034416.db2.gz PWLCTGIQHNJWCF-UHFFFAOYSA-N 0 0 457.304 4.512 20 0 JJADRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC001360881672 1066034661 /nfs/dbraw/zinc/03/46/61/1066034661.db2.gz UTQJATCKHSAIKF-OPXMRZJTSA-N 0 0 454.636 4.966 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001360881741 1066034883 /nfs/dbraw/zinc/03/48/83/1066034883.db2.gz WQGUZSDWJGDROA-ZFFYZDHPSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCNC(=O)C(C)C)c1C ZINC001360881641 1066035012 /nfs/dbraw/zinc/03/50/12/1066035012.db2.gz OYZXSBKOGLCETP-ZVDOUQERSA-N 0 0 491.627 4.925 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360881585 1066035041 /nfs/dbraw/zinc/03/50/41/1066035041.db2.gz NVGIPANQKMSGHT-DHJUGAMNSA-N 0 0 474.556 4.962 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1nc2ccsc2s1 ZINC001360882344 1066035709 /nfs/dbraw/zinc/03/57/09/1066035709.db2.gz GXPYURDKOBZDMP-UHFFFAOYSA-N 0 0 450.710 4.877 20 0 JJADRN C[C@@H](Cn1ccnc1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441377800 1066036297 /nfs/dbraw/zinc/03/62/97/1066036297.db2.gz XMWJHXWVOJHWAW-INIZCTEOSA-N 0 0 451.368 4.931 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCO[C@@H]2CCOC2)c1C ZINC001360883105 1066036690 /nfs/dbraw/zinc/03/66/90/1066036690.db2.gz JVQKLMKKMIVPEE-DHIUTWEWSA-N 0 0 454.615 4.777 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CCC(C)=C(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001360882953 1066036709 /nfs/dbraw/zinc/03/67/09/1066036709.db2.gz FOZGUVVCYMFJFS-ATIYNZHBSA-N 0 0 454.615 4.641 20 0 JJADRN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CC[C@@H](NC(=O)OC(C)(C)C)CC4)CC3)c2c1 ZINC001441396868 1066037400 /nfs/dbraw/zinc/03/74/00/1066037400.db2.gz RKHQWKFGZLQZGA-KDURUIRLSA-N 0 0 453.583 4.876 20 0 JJADRN CCn1c(Br)ncc1C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441398300 1066037575 /nfs/dbraw/zinc/03/75/75/1066037575.db2.gz NMCBWNUTYXYOAR-CQSZACIVSA-N 0 0 456.344 4.801 20 0 JJADRN CSC1(CNC(=O)c2ccc(COc3ccccc3Br)cc2)CCOCC1 ZINC001360884224 1066038307 /nfs/dbraw/zinc/03/83/07/1066038307.db2.gz OOMWHVZWJGDYCN-UHFFFAOYSA-N 0 0 450.398 4.670 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 ZINC001360884019 1066038320 /nfs/dbraw/zinc/03/83/20/1066038320.db2.gz JSOZRODFQKLCED-UHFFFAOYSA-N 0 0 455.561 4.781 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCCCS(C)(=O)=O)CC1 ZINC001360884746 1066038651 /nfs/dbraw/zinc/03/86/51/1066038651.db2.gz FESLQKHOFARUQT-KRWDZBQOSA-N 0 0 476.712 4.893 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001360884940 1066039700 /nfs/dbraw/zinc/03/97/00/1066039700.db2.gz MIUCQPOJRFWXAK-JGCGQSQUSA-N 0 0 456.656 4.828 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001441420185 1066039667 /nfs/dbraw/zinc/03/96/67/1066039667.db2.gz JRXFFNWSYAESNT-BJKOFHAPSA-N 0 0 458.558 4.626 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001441420197 1066039784 /nfs/dbraw/zinc/03/97/84/1066039784.db2.gz JRXFFNWSYAESNT-RPWUZVMVSA-N 0 0 458.558 4.626 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC001441424513 1066040007 /nfs/dbraw/zinc/04/00/07/1066040007.db2.gz DHKBGBIHDATKKX-KCWPFWIISA-N 0 0 450.579 4.667 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC001441423052 1066040045 /nfs/dbraw/zinc/04/00/45/1066040045.db2.gz NEYZCQZFSABHJU-UHFFFAOYSA-N 0 0 452.363 4.529 20 0 JJADRN O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC001360885431 1066040313 /nfs/dbraw/zinc/04/03/13/1066040313.db2.gz GXYKPEYFBIOPST-UHFFFAOYSA-N 0 0 452.483 4.593 20 0 JJADRN C[C@@H](NC(=O)[C@H](O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441425804 1066040536 /nfs/dbraw/zinc/04/05/36/1066040536.db2.gz GABUYXMTUMXNFV-QVKFZJNVSA-N 0 0 453.336 4.612 20 0 JJADRN C[C@H](NC(=O)[C@H](O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441425811 1066040547 /nfs/dbraw/zinc/04/05/47/1066040547.db2.gz GABUYXMTUMXNFV-YCRPNKLZSA-N 0 0 453.336 4.612 20 0 JJADRN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccc(F)cc1F ZINC001360886905 1066040643 /nfs/dbraw/zinc/04/06/43/1066040643.db2.gz ITOIAOXCNWFOGK-IRXDYDNUSA-N 0 0 458.530 4.538 20 0 JJADRN O=C(N[C@H]1COc2ccccc2C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001441427328 1066040897 /nfs/dbraw/zinc/04/08/97/1066040897.db2.gz XJJJPMVZZYXYPO-CYBMUJFWSA-N 0 0 455.358 4.643 20 0 JJADRN C[C@@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441428032 1066040974 /nfs/dbraw/zinc/04/09/74/1066040974.db2.gz MCDAGJPMRWUMEP-GOSISDBHSA-N 0 0 451.567 4.906 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001360887067 1066041154 /nfs/dbraw/zinc/04/11/54/1066041154.db2.gz NYCXTFMRUFEZCS-LPHOPBHVSA-N 0 0 455.480 4.826 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CSCCS2)CC1 ZINC001360887627 1066041216 /nfs/dbraw/zinc/04/12/16/1066041216.db2.gz BJYUDNYOLDIBLC-UXHICEINSA-N 0 0 493.743 4.788 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC001441429679 1066041243 /nfs/dbraw/zinc/04/12/43/1066041243.db2.gz ROQRNVMDHSKDQQ-OAHLLOKOSA-N 0 0 453.336 4.827 20 0 JJADRN Cc1noc(C)c1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 ZINC001360888077 1066041602 /nfs/dbraw/zinc/04/16/02/1066041602.db2.gz OFQQNXIIKKJUMZ-NRFANRHFSA-N 0 0 484.645 4.787 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)CCSc1cccc(Cl)c1 ZINC001360888779 1066041898 /nfs/dbraw/zinc/04/18/98/1066041898.db2.gz HZLOUKFEAMPITA-UHFFFAOYSA-N 0 0 457.017 4.546 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)Cc1csc2sc(C)cc12 ZINC001360889072 1066041931 /nfs/dbraw/zinc/04/19/31/1066041931.db2.gz SESTUYOWHXVVRB-UHFFFAOYSA-N 0 0 452.623 4.538 20 0 JJADRN CCC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1cccc(Cl)c1 ZINC001360888526 1066041947 /nfs/dbraw/zinc/04/19/47/1066041947.db2.gz ANUSKTVTLXYUIR-SFHVURJKSA-N 0 0 453.004 4.948 20 0 JJADRN Cc1cccc(COc2cccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)c2)c1 ZINC001360889115 1066042191 /nfs/dbraw/zinc/04/21/91/1066042191.db2.gz UIQTVKYKQHYKAG-UHFFFAOYSA-N 0 0 458.558 4.830 20 0 JJADRN C[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1Cl ZINC001360889155 1066042312 /nfs/dbraw/zinc/04/23/12/1066042312.db2.gz VOAALRSMCMTFFO-KGLIPLIRSA-N 0 0 452.407 4.982 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360889791 1066042769 /nfs/dbraw/zinc/04/27/69/1066042769.db2.gz SKXAEHOJBINQAG-UHFFFAOYSA-N 0 0 457.500 4.800 20 0 JJADRN Cc1cccc(C)c1OCCNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441466168 1066043653 /nfs/dbraw/zinc/04/36/53/1066043653.db2.gz PUGYVVLUFBZVHI-UHFFFAOYSA-N 0 0 458.558 4.727 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccsc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001360892271 1066044070 /nfs/dbraw/zinc/04/40/70/1066044070.db2.gz RHQRIUZBZJVKCB-UHFFFAOYSA-N 0 0 470.952 4.931 20 0 JJADRN C[C@](O)(CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)C1CC1 ZINC001441471702 1066044130 /nfs/dbraw/zinc/04/41/30/1066044130.db2.gz SGUOQXQEFZEZND-KNQAVFIVSA-N 0 0 453.435 4.822 20 0 JJADRN C[C@@](O)(CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)C1CC1 ZINC001441471661 1066044142 /nfs/dbraw/zinc/04/41/42/1066044142.db2.gz SGUOQXQEFZEZND-DENIHFKCSA-N 0 0 453.435 4.822 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCCOCC2CCOCC2)c1 ZINC001360892422 1066044518 /nfs/dbraw/zinc/04/45/18/1066044518.db2.gz XEIBEOIYIPOHAI-UHFFFAOYSA-N 0 0 468.642 4.854 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NCCNc2ncc(Cl)cc2Cl)c1C ZINC001441474310 1066044380 /nfs/dbraw/zinc/04/43/80/1066044380.db2.gz PVNITRZCDLGWTR-UHFFFAOYSA-N 0 0 450.395 4.511 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001360892593 1066044703 /nfs/dbraw/zinc/04/47/03/1066044703.db2.gz FJBBQMBYUPCZFA-IEBWSBKVSA-N 0 0 458.676 4.941 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC(C)=C(C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001360892731 1066044871 /nfs/dbraw/zinc/04/48/71/1066044871.db2.gz KNIMLNBRSVWKEH-HXUWFJFHSA-N 0 0 455.603 4.625 20 0 JJADRN Cc1cnn(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(C)=C(C)C2)c1 ZINC001360892657 1066044894 /nfs/dbraw/zinc/04/48/94/1066044894.db2.gz HRBUIAZVPYEYSS-UHFFFAOYSA-N 0 0 461.397 4.916 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1F ZINC001441480829 1066045853 /nfs/dbraw/zinc/04/58/53/1066045853.db2.gz MVPLRXDFGHOYMK-UHFFFAOYSA-N 0 0 450.476 4.798 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)Nc4cnc(Br)cc4C)c3)cn2c1 ZINC001360893566 1066046054 /nfs/dbraw/zinc/04/60/54/1066046054.db2.gz OEZAWCPJPOXTAR-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(-n2ccnc2C)nc1 ZINC001441492768 1066046532 /nfs/dbraw/zinc/04/65/32/1066046532.db2.gz YLMKHMVOKAZCMN-UHFFFAOYSA-N 0 0 452.312 4.808 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN3CCCCCC3=O)C2)sc1C ZINC001360894097 1066046476 /nfs/dbraw/zinc/04/64/76/1066046476.db2.gz HAFJZFSQLLCEFD-HXUWFJFHSA-N 0 0 472.703 4.826 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCN3CCCCCC3=O)C2)sc1C ZINC001360894096 1066046551 /nfs/dbraw/zinc/04/65/51/1066046551.db2.gz HAFJZFSQLLCEFD-FQEVSTJZSA-N 0 0 472.703 4.826 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1 ZINC001360894447 1066046791 /nfs/dbraw/zinc/04/67/91/1066046791.db2.gz CLFOIHOXZJMNPZ-UHFFFAOYSA-N 0 0 453.438 4.573 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(C(=O)Nc4ccccn4)n3CCSC(C)C)C2)sc1C ZINC001360894389 1066046814 /nfs/dbraw/zinc/04/68/14/1066046814.db2.gz OXXKQBLZALBMTJ-SFHVURJKSA-N 0 0 485.683 4.524 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC(=O)N(C)C)C2)sc1C ZINC001360894815 1066047249 /nfs/dbraw/zinc/04/72/49/1066047249.db2.gz VUMVZDGADFRYIO-MRXNPFEDSA-N 0 0 491.036 4.673 20 0 JJADRN O=C(N[C@@H](C(=O)Nc1ccc(Oc2cnccn2)cc1)c1ccccc1)OCc1ccccc1 ZINC001441508175 1066047417 /nfs/dbraw/zinc/04/74/17/1066047417.db2.gz JIEBSBUIYTWRDF-XMMPIXPASA-N 0 0 454.486 4.875 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCO[C@@H](c3ccccc3)O2)cc1NC(=O)c1cccc(F)c1 ZINC001441510839 1066047520 /nfs/dbraw/zinc/04/75/20/1066047520.db2.gz STVVYQJNZDALHY-WIOPSUGQSA-N 0 0 450.466 4.529 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CCSC(F)(F)F)C2)sc1C ZINC001360895380 1066047929 /nfs/dbraw/zinc/04/79/29/1066047929.db2.gz AFFBJORSNFDMNA-CVEARBPZSA-N 0 0 475.606 4.882 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(C4CCCC4)n3CCCNC(=O)C(C)C)C2)sc1C ZINC001360895496 1066047972 /nfs/dbraw/zinc/04/79/72/1066047972.db2.gz FCNSLSGUUMHQIB-HXUWFJFHSA-N 0 0 458.676 4.555 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C)CC2)sc1C ZINC001360895488 1066048062 /nfs/dbraw/zinc/04/80/62/1066048062.db2.gz DZWNIPFYJVHLNW-UHFFFAOYSA-N 0 0 477.476 4.989 20 0 JJADRN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H]3CCCCCC(=O)C3)cc2)cc1 ZINC001441526499 1066048395 /nfs/dbraw/zinc/04/83/95/1066048395.db2.gz XAIVUOOQTGUFLH-JOCHJYFZSA-N 0 0 450.579 4.948 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)sc1C ZINC001360895594 1066048411 /nfs/dbraw/zinc/04/84/11/1066048411.db2.gz HKLKZDOASWNUPW-ZBFHGGJFSA-N 0 0 461.632 4.815 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCCn3ccnc3C)C2)sc1C ZINC001360895686 1066048473 /nfs/dbraw/zinc/04/84/73/1066048473.db2.gz JJMUALZSPXIUGH-FQEVSTJZSA-N 0 0 455.676 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)C1(C)C ZINC001441534989 1066048745 /nfs/dbraw/zinc/04/87/45/1066048745.db2.gz CQLBJVTUGNUUOO-IRXDYDNUSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)sc1C ZINC001360896027 1066049206 /nfs/dbraw/zinc/04/92/06/1066049206.db2.gz RMXRPFPRDAGYDN-QAPCUYQASA-N 0 0 461.632 4.815 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOCC(F)F)C2)sc1C ZINC001360896060 1066049334 /nfs/dbraw/zinc/04/93/34/1066049334.db2.gz SGPKHUUMPNZSLH-NLWGTHIKSA-N 0 0 497.656 4.936 20 0 JJADRN Cc1nc([C@H]2CCCN(c3nnc(CC(C)C)n3CCC(=O)NCc3ccccc3)C2)sc1C ZINC001360896264 1066050090 /nfs/dbraw/zinc/05/00/90/1066050090.db2.gz ZCLNWWJIWHSOHQ-QFIPXVFZSA-N 0 0 480.682 4.640 20 0 JJADRN Cc1nc([C@@H]2CCCN(c3nnc(CC(C)C)n3CCC(=O)NCc3ccccc3)C2)sc1C ZINC001360896263 1066050127 /nfs/dbraw/zinc/05/01/27/1066050127.db2.gz ZCLNWWJIWHSOHQ-JOCHJYFZSA-N 0 0 480.682 4.640 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)sc1C ZINC001360897667 1066050755 /nfs/dbraw/zinc/05/07/55/1066050755.db2.gz GSFJDJWUJYEQIF-QGZVFWFLSA-N 0 0 465.545 4.753 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)ccc1OC1CCCC1 ZINC001441561036 1066051003 /nfs/dbraw/zinc/05/10/03/1066051003.db2.gz XGLDTLDDUYLPPP-INIZCTEOSA-N 0 0 452.530 4.723 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)NC(=O)OC(C)(C)C ZINC001441560411 1066051020 /nfs/dbraw/zinc/05/10/20/1066051020.db2.gz MWJKFOHNSRSCTL-LMMKCTJWSA-N 0 0 451.583 4.707 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(Br)c2)sc1C ZINC001360898050 1066051019 /nfs/dbraw/zinc/05/10/19/1066051019.db2.gz LZLNBBCWHYWOJU-GOSISDBHSA-N 0 0 490.471 4.887 20 0 JJADRN O=C(CCCCC(=O)c1ccc(F)cc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001441562799 1066051279 /nfs/dbraw/zinc/05/12/79/1066051279.db2.gz IJPWLTODMKHBOF-UHFFFAOYSA-N 0 0 456.827 4.600 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)Cc3ccccc3SC)cc2)cc1 ZINC001441566686 1066051529 /nfs/dbraw/zinc/05/15/29/1066051529.db2.gz IPWGPWLXGHFDFJ-UHFFFAOYSA-N 0 0 456.589 4.540 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)/C(C)=C/c3ccc(F)cc3)cc2)cc1 ZINC001441569050 1066051641 /nfs/dbraw/zinc/05/16/41/1066051641.db2.gz LNJZAJTYYUZXFB-BMRADRMJSA-N 0 0 454.523 4.818 20 0 JJADRN Cc1nc(CCn2c(COc3ccccc3F)nnc2N2C[C@@H](C)S[C@@H](C)C2)sc1C ZINC001360898804 1066051793 /nfs/dbraw/zinc/05/17/93/1066051793.db2.gz DEOGYQSGPMEZJO-GASCZTMLSA-N 0 0 461.632 4.642 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H](C)Cc1cccs1 ZINC001545942879 1066052046 /nfs/dbraw/zinc/05/20/46/1066052046.db2.gz KHVYENVPOQNOQU-HDMKZQKVSA-N 0 0 471.593 4.771 20 0 JJADRN COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1 ZINC001441577680 1066052121 /nfs/dbraw/zinc/05/21/21/1066052121.db2.gz WXMOUCOXACKTDN-UHFFFAOYSA-N 0 0 454.548 4.677 20 0 JJADRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)sc1C ZINC001360898958 1066052336 /nfs/dbraw/zinc/05/23/36/1066052336.db2.gz FYFBMJHOUOCDOZ-QGZVFWFLSA-N 0 0 485.601 4.794 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCc1cc(C(F)(F)F)ccn1 ZINC001545943062 1066052634 /nfs/dbraw/zinc/05/26/34/1066052634.db2.gz QTXXYOVDPYTCBC-MWTRTKDXSA-N 0 0 478.563 4.622 20 0 JJADRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001441593692 1066052644 /nfs/dbraw/zinc/05/26/44/1066052644.db2.gz UJYMQLPHAMJQQC-DXIQSLLYSA-N 0 0 459.631 4.504 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001360899879 1066053374 /nfs/dbraw/zinc/05/33/74/1066053374.db2.gz UMBGRIPNORDERV-KBMIEXCESA-N 0 0 469.655 4.832 20 0 JJADRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC001360899893 1066053559 /nfs/dbraw/zinc/05/35/59/1066053559.db2.gz USFRLWVVHXQXTM-GOSISDBHSA-N 0 0 476.691 4.534 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360900187 1066053779 /nfs/dbraw/zinc/05/37/79/1066053779.db2.gz ZTEAUGLPUFBDHJ-HNNXBMFYSA-N 0 0 451.361 4.894 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)CCOCC1 ZINC001360900226 1066053836 /nfs/dbraw/zinc/05/38/36/1066053836.db2.gz AHFQYCISGNJUOB-HNNXBMFYSA-N 0 0 459.612 4.824 20 0 JJADRN CC[C@@H](CNC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Oc1cccc(C)c1 ZINC001441614857 1066054028 /nfs/dbraw/zinc/05/40/28/1066054028.db2.gz NTPPLWZWIOBAFP-DEOSSOPVSA-N 0 0 451.611 4.924 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCO)CCc2ccccc2)sc1C ZINC001360901213 1066054519 /nfs/dbraw/zinc/05/45/19/1066054519.db2.gz IPXZMJWTGLHGTP-ISKFKSNPSA-N 0 0 497.709 4.554 20 0 JJADRN Cc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)sc1C ZINC001360901135 1066054742 /nfs/dbraw/zinc/05/47/42/1066054742.db2.gz GKYKGMGABPCRHN-YWZLYKJASA-N 0 0 487.073 4.998 20 0 JJADRN Cc1nc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)sc1C ZINC001360901555 1066054894 /nfs/dbraw/zinc/05/48/94/1066054894.db2.gz URNCXGYKTBVSKP-UHFFFAOYSA-N 0 0 487.073 4.803 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)c2ccco2)sc1C ZINC001360901399 1066055057 /nfs/dbraw/zinc/05/50/57/1066055057.db2.gz PVGIYPFUJPZKOR-CYBMUJFWSA-N 0 0 475.416 4.958 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)Oc3cccc(Cl)c3)CC2)cc1Cl ZINC001441621319 1066054904 /nfs/dbraw/zinc/05/49/04/1066054904.db2.gz FKVROKCLWPJYDP-UHFFFAOYSA-N 0 0 450.366 4.836 20 0 JJADRN O=C(c1cnn(Cc2ccccc2)c1Br)N1CCC(Cc2cccc(F)c2)CC1 ZINC001441628797 1066056157 /nfs/dbraw/zinc/05/61/57/1066056157.db2.gz XPDJBAISQAMVTC-UHFFFAOYSA-N 0 0 456.359 4.928 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)CC2)cc1Cl ZINC001441628068 1066056356 /nfs/dbraw/zinc/05/63/56/1066056356.db2.gz XHDZBLYXFLVQKT-CQSZACIVSA-N 0 0 454.329 4.585 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001360902987 1066056700 /nfs/dbraw/zinc/05/67/00/1066056700.db2.gz UXLNUUWQMRWCKT-JLHGSKIFSA-N 0 0 458.521 4.557 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)sc1C ZINC001360903066 1066056749 /nfs/dbraw/zinc/05/67/49/1066056749.db2.gz RTGZAXYZUMCZHH-UHFFFAOYSA-N 0 0 471.936 4.614 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CCCC1 ZINC001360903662 1066057092 /nfs/dbraw/zinc/05/70/92/1066057092.db2.gz IDZBBFFIWNCGCS-UHFFFAOYSA-N 0 0 450.461 4.623 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441651844 1066057552 /nfs/dbraw/zinc/05/75/52/1066057552.db2.gz PNUCMWIORUVNJI-OALUTQOASA-N 0 0 456.587 4.611 20 0 JJADRN CNc1cc(I)ccc1C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001441652794 1066057614 /nfs/dbraw/zinc/05/76/14/1066057614.db2.gz SGSCXAFNBZEJCN-HNNXBMFYSA-N 0 0 459.331 4.834 20 0 JJADRN CCOCCCNC(=O)c1cccc(NC(=O)c2cc3c(ccc(C)c3Br)[nH]2)c1 ZINC001441653130 1066058263 /nfs/dbraw/zinc/05/82/63/1066058263.db2.gz VDUUOBSPYBEQGS-UHFFFAOYSA-N 0 0 458.356 4.648 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001441662219 1066058752 /nfs/dbraw/zinc/05/87/52/1066058752.db2.gz DHPLDEXUAGYPQZ-GHTZIAJQSA-N 0 0 458.578 4.690 20 0 JJADRN CN(Cc1cccc2ccccc21)C(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC001441662757 1066058972 /nfs/dbraw/zinc/05/89/72/1066058972.db2.gz FJLARSHFRYPFEB-UHFFFAOYSA-N 0 0 454.567 4.619 20 0 JJADRN Cc1sccc1C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001441666565 1066059503 /nfs/dbraw/zinc/05/95/03/1066059503.db2.gz FVUZUYYTDZYGLT-ZDUSSCGKSA-N 0 0 450.486 4.644 20 0 JJADRN CC[C@@]1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441668736 1066059530 /nfs/dbraw/zinc/05/95/30/1066059530.db2.gz HUPIHZAAHRQTNJ-RUZDIDTESA-N 0 0 455.555 4.536 20 0 JJADRN CC[C@@]1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001441668777 1066059584 /nfs/dbraw/zinc/05/95/84/1066059584.db2.gz IBYAIPMCXJLJIN-VWLOTQADSA-N 0 0 455.555 4.678 20 0 JJADRN Cc1nc(Cn2c(COc3ccccc3F)nnc2N(C)Cc2cc(Cl)ccn2)sc1C ZINC001360905500 1066059544 /nfs/dbraw/zinc/05/95/44/1066059544.db2.gz RPIZQEAMXROCGO-UHFFFAOYSA-N 0 0 472.977 4.803 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001441671725 1066059939 /nfs/dbraw/zinc/05/99/39/1066059939.db2.gz YYLITULYWLLHPW-LEWJYISDSA-N 0 0 458.578 4.690 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001441674723 1066060218 /nfs/dbraw/zinc/06/02/18/1066060218.db2.gz UAMFMHDQTLVXFV-KOSHJBKYSA-N 0 0 452.542 4.808 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492597670 1066060312 /nfs/dbraw/zinc/06/03/12/1066060312.db2.gz DARKWSTXVASQTN-TZIWHRDSSA-N 0 0 497.665 4.810 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360906172 1066060422 /nfs/dbraw/zinc/06/04/22/1066060422.db2.gz NGTSFYLOFPFPBX-OAQYLSRUSA-N 0 0 458.647 4.574 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441680385 1066060702 /nfs/dbraw/zinc/06/07/02/1066060702.db2.gz ZZZULRJZORBEDC-QFIPXVFZSA-N 0 0 457.574 4.836 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441680383 1066060828 /nfs/dbraw/zinc/06/08/28/1066060828.db2.gz ZZZULRJZORBEDC-JOCHJYFZSA-N 0 0 457.574 4.836 20 0 JJADRN CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906594 1066060711 /nfs/dbraw/zinc/06/07/11/1066060711.db2.gz HHUZPWAZQRGNHC-UHFFFAOYSA-N 0 0 451.615 4.634 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441682181 1066060877 /nfs/dbraw/zinc/06/08/77/1066060877.db2.gz NQWSNGKNROZSHH-DAMWEWLOSA-N 0 0 452.599 4.671 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441682183 1066060887 /nfs/dbraw/zinc/06/08/87/1066060887.db2.gz NQWSNGKNROZSHH-HMZRMUTASA-N 0 0 452.599 4.671 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c2ccc(Cl)cc21 ZINC001360906789 1066060956 /nfs/dbraw/zinc/06/09/56/1066060956.db2.gz MLGOXPSAJAXULE-CQSZACIVSA-N 0 0 450.888 4.999 20 0 JJADRN CCc1nc(-c2ccc(C(=O)N[C@H](C)c3ccc(OCc4ccncc4)c(OC)c3)cc2)n[nH]1 ZINC001441686913 1066061228 /nfs/dbraw/zinc/06/12/28/1066061228.db2.gz KAMLUAMMZVAJKN-QGZVFWFLSA-N 0 0 457.534 4.508 20 0 JJADRN CO[C@H](C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1C(F)(F)F ZINC001360907095 1066061360 /nfs/dbraw/zinc/06/13/60/1066061360.db2.gz UFKZEWVPAAOEGC-XCLFUZPHSA-N 0 0 454.876 4.655 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)CCCCc1ccccc1 ZINC001441683647 1066061316 /nfs/dbraw/zinc/06/13/16/1066061316.db2.gz UGOOIYFDDNPCRZ-MHZLTWQESA-N 0 0 452.595 4.843 20 0 JJADRN CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001441693439 1066062219 /nfs/dbraw/zinc/06/22/19/1066062219.db2.gz RAIZXRKMVIZQSU-GOSISDBHSA-N 0 0 457.571 4.782 20 0 JJADRN Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCCCCO)CC2)sc1C ZINC001360907840 1066062300 /nfs/dbraw/zinc/06/23/00/1066062300.db2.gz SGKNTFIHMLDZPQ-UHFFFAOYSA-N 0 0 493.052 4.690 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(C)(C)C)n1CC1CCS(=O)(=O)CC1 ZINC001360907895 1066062334 /nfs/dbraw/zinc/06/23/34/1066062334.db2.gz UOGXYPYCJHBXOX-UHFFFAOYSA-N 0 0 487.695 4.684 20 0 JJADRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1[nH]ncc1C(F)(F)F)Nc1ccccc1F ZINC001441700908 1066062528 /nfs/dbraw/zinc/06/25/28/1066062528.db2.gz FKANFUKIEMKZJI-UHFFFAOYSA-N 0 0 454.811 4.502 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 ZINC001441697106 1066062627 /nfs/dbraw/zinc/06/26/27/1066062627.db2.gz UEESGPXEOZXOGU-GOSISDBHSA-N 0 0 457.571 4.924 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCSC(C)C ZINC001360907996 1066062753 /nfs/dbraw/zinc/06/27/53/1066062753.db2.gz XLQSNYZIEFRIGR-HKUYNNGSSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1CCC(=O)N(C)C ZINC001360908086 1066063213 /nfs/dbraw/zinc/06/32/13/1066063213.db2.gz ARIFITFLHSBYMI-INIZCTEOSA-N 0 0 495.678 4.552 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CC1([S@@](C)=O)CCC1 ZINC001360908394 1066063546 /nfs/dbraw/zinc/06/35/46/1066063546.db2.gz JHVHHNPTKHFDGT-JGCGQSQUSA-N 0 0 479.622 4.770 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CCO[C@H]1CCCC[C@@H]1C ZINC001360908303 1066063630 /nfs/dbraw/zinc/06/36/30/1066063630.db2.gz HRCAGDNRWXZNKY-FPOVZHCZSA-N 0 0 490.718 4.624 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CCC(F)F)n1CCNC(=O)C(C)(C)C ZINC001360908628 1066064195 /nfs/dbraw/zinc/06/41/95/1066064195.db2.gz OBZNQXPWJMSWOA-UHFFFAOYSA-N 0 0 476.597 4.631 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001441723815 1066064217 /nfs/dbraw/zinc/06/42/17/1066064217.db2.gz KXZCOJMEVNQGEH-JKSBSHDWSA-N 0 0 457.615 4.745 20 0 JJADRN O=C(Nc1ncc(Cc2ccccc2F)s1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001441727243 1066064693 /nfs/dbraw/zinc/06/46/93/1066064693.db2.gz PMOLRKVQJWLFEM-XKZIYDEJSA-N 0 0 458.518 4.678 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(F)(F)F)n1C[C@@](C)(O)C1CC1 ZINC001360908854 1066064741 /nfs/dbraw/zinc/06/47/41/1066064741.db2.gz SOUHZMUSWWLKDT-HXUWFJFHSA-N 0 0 451.518 4.537 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC[C@@H]2C(C)C)n1CCC(=O)NC(C)C ZINC001360910332 1066066140 /nfs/dbraw/zinc/06/61/40/1066066140.db2.gz COUYJQLVXFZTQC-HXUWFJFHSA-N 0 0 466.655 4.917 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCCCO ZINC001360910322 1066066232 /nfs/dbraw/zinc/06/62/32/1066066232.db2.gz CLMMOTSKJUWGGW-SFHVURJKSA-N 0 0 455.628 4.543 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1CCc1sccc1C ZINC001545944344 1066066911 /nfs/dbraw/zinc/06/69/11/1066066911.db2.gz FCPPZGKMFCIVNR-XMSQKQJNSA-N 0 0 499.656 4.915 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1 ZINC001441743690 1066066963 /nfs/dbraw/zinc/06/69/63/1066066963.db2.gz QTPOENPANYZLTK-UHFFFAOYSA-N 0 0 453.948 4.701 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C(F)(F)F)CC2)n1CCC(=O)N(C)C ZINC001360910693 1066067033 /nfs/dbraw/zinc/06/70/33/1066067033.db2.gz NFPYMURMCMWFCI-UHFFFAOYSA-N 0 0 492.571 4.634 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCS(=O)CC2)n1CCCC(C)(C)C ZINC001360910660 1066067098 /nfs/dbraw/zinc/06/70/98/1066067098.db2.gz MATHYSFUCOXFSQ-UHFFFAOYSA-N 0 0 457.669 4.772 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCSCCCO ZINC001360910646 1066067123 /nfs/dbraw/zinc/06/71/23/1066067123.db2.gz LSKCTJUATVFEKD-SJLPKXTDSA-N 0 0 457.669 4.727 20 0 JJADRN Cc1ccc(-c2nc(SCC(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)n[nH]2)cc1 ZINC001441750393 1066067700 /nfs/dbraw/zinc/06/77/00/1066067700.db2.gz OXBOHTWJJHSPNZ-UHFFFAOYSA-N 0 0 457.531 4.836 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCSC(C)C ZINC001360910971 1066067883 /nfs/dbraw/zinc/06/78/83/1066067883.db2.gz UKSQDZIKSIVOIX-UHFFFAOYSA-N 0 0 498.722 4.823 20 0 JJADRN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001441749694 1066067856 /nfs/dbraw/zinc/06/78/56/1066067856.db2.gz NOSSRRTWABTJJU-HNNXBMFYSA-N 0 0 450.322 4.929 20 0 JJADRN COc1cc(CNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)ccc1OCCO ZINC001441763468 1066068169 /nfs/dbraw/zinc/06/81/69/1066068169.db2.gz DQMYRVILNDECOC-UHFFFAOYSA-N 0 0 456.542 4.828 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC001441752285 1066068282 /nfs/dbraw/zinc/06/82/82/1066068282.db2.gz SAJLDYSLNQPXMJ-UKRRQHHQSA-N 0 0 451.539 4.844 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 ZINC001360911456 1066068540 /nfs/dbraw/zinc/06/85/40/1066068540.db2.gz LRKFOOHPWGCKEN-HNNXBMFYSA-N 0 0 450.921 4.581 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCCC(C)(C)C ZINC001360911380 1066068557 /nfs/dbraw/zinc/06/85/57/1066068557.db2.gz JOKNUWWTYLVLPX-ROUUACIJSA-N 0 0 478.732 4.703 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)C2)n1 ZINC001441769171 1066068615 /nfs/dbraw/zinc/06/86/15/1066068615.db2.gz IMQDAZSRWCDKAQ-SFHVURJKSA-N 0 0 450.926 4.722 20 0 JJADRN Cc1ccc(Cc2cnc(NC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)s2)cc1Cl ZINC001441767924 1066068628 /nfs/dbraw/zinc/06/86/28/1066068628.db2.gz UJNBESOMPHROSA-JOCHJYFZSA-N 0 0 456.011 4.832 20 0 JJADRN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC001441770852 1066068649 /nfs/dbraw/zinc/06/86/49/1066068649.db2.gz IZCJZNJZLAFDPK-HKUYNNGSSA-N 0 0 458.400 4.680 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)s1 ZINC001441774986 1066068951 /nfs/dbraw/zinc/06/89/51/1066068951.db2.gz QFVXKXYAIQGOSO-RYUDHWBXSA-N 0 0 456.793 4.540 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC001441785983 1066069428 /nfs/dbraw/zinc/06/94/28/1066069428.db2.gz HIRJCQVCTBXDCF-FCHUYYIVSA-N 0 0 458.599 4.585 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](C)C1 ZINC001360912737 1066069346 /nfs/dbraw/zinc/06/93/46/1066069346.db2.gz ACDDKSMTUSTQSE-MRXNPFEDSA-N 0 0 457.420 4.998 20 0 JJADRN CCc1c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)nnn1-c1ccc(OC(C)C)cc1 ZINC001360912211 1066069497 /nfs/dbraw/zinc/06/94/97/1066069497.db2.gz LUZSCOGWLDXJLA-UHFFFAOYSA-N 0 0 453.974 4.757 20 0 JJADRN CC(C)(C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001441801717 1066070170 /nfs/dbraw/zinc/07/01/70/1066070170.db2.gz XCMBPILMRGJKKZ-VQTJNVASSA-N 0 0 463.500 4.742 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001360913351 1066070221 /nfs/dbraw/zinc/07/02/21/1066070221.db2.gz VRILLDCXKSPYFV-ZIAGYGMSSA-N 0 0 461.383 4.603 20 0 JJADRN O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001441801314 1066070320 /nfs/dbraw/zinc/07/03/20/1066070320.db2.gz ONSCAFUXBQVOAZ-UHFFFAOYSA-N 0 0 459.350 4.958 20 0 JJADRN O=C(NC[C@@H]1Cc2ccccc21)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001441797464 1066070423 /nfs/dbraw/zinc/07/04/23/1066070423.db2.gz JKVLBTZXTFCOON-LBPRGKRZSA-N 0 0 456.802 4.645 20 0 JJADRN Cc1n[nH]cc1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360914784 1066070755 /nfs/dbraw/zinc/07/07/55/1066070755.db2.gz NHWOLZFPPTVSOT-JOCHJYFZSA-N 0 0 485.677 4.539 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c(Cl)c1 ZINC001441805142 1066070835 /nfs/dbraw/zinc/07/08/35/1066070835.db2.gz ZTNHJRXUBKBMKM-UHFFFAOYSA-N 0 0 455.967 4.527 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001360914818 1066071045 /nfs/dbraw/zinc/07/10/45/1066071045.db2.gz OGNCQXATAUGBPE-UHFFFAOYSA-N 0 0 469.515 4.583 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c2ccccc2)cc1 ZINC001360915223 1066071080 /nfs/dbraw/zinc/07/10/80/1066071080.db2.gz AHZZNNHATJUCNH-HFZDXXHNSA-N 0 0 452.558 4.919 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360915001 1066071112 /nfs/dbraw/zinc/07/11/12/1066071112.db2.gz UGFZWLCJRPEQPP-NQIIRXRSSA-N 0 0 487.693 4.661 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001360915006 1066071145 /nfs/dbraw/zinc/07/11/45/1066071145.db2.gz UIOVDTXCMBVWDI-UHFFFAOYSA-N 0 0 498.745 4.607 20 0 JJADRN C[C@H](NC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(Oc2ccccc2)c(F)c1 ZINC001441809289 1066071168 /nfs/dbraw/zinc/07/11/68/1066071168.db2.gz BJSDJKJHADWIPW-BNJIMDBKSA-N 0 0 470.541 4.679 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC001360915340 1066071330 /nfs/dbraw/zinc/07/13/30/1066071330.db2.gz DQTUVFRJRSGPAI-UHFFFAOYSA-N 0 0 457.496 4.918 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)nn1-c1ccc(Br)cc1 ZINC001360915475 1066071372 /nfs/dbraw/zinc/07/13/72/1066071372.db2.gz IPUWKPYSNVBWIX-AWEZNQCLSA-N 0 0 458.360 4.865 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cc1 ZINC001441810812 1066071596 /nfs/dbraw/zinc/07/15/96/1066071596.db2.gz JHPUXBCTBPPXLD-UHFFFAOYSA-N 0 0 457.368 4.607 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC001441809992 1066071711 /nfs/dbraw/zinc/07/17/11/1066071711.db2.gz KBRBATWWZMOMEB-QGZVFWFLSA-N 0 0 456.384 4.604 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCc2ccccc2OC2CCCC2)cc1 ZINC001441813108 1066072045 /nfs/dbraw/zinc/07/20/45/1066072045.db2.gz HGJCEXYXRQOHDN-XMMPIXPASA-N 0 0 451.611 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCc1ccccc1OC1CCCC1 ZINC001441812880 1066072170 /nfs/dbraw/zinc/07/21/70/1066072170.db2.gz FTPQEMIDGKPAGM-WMZOPIPTSA-N 0 0 456.505 4.812 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001492597767 1066072154 /nfs/dbraw/zinc/07/21/54/1066072154.db2.gz GAGIRRSRQGTCEB-UYAOXDASSA-N 0 0 455.628 4.677 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C ZINC001360916324 1066072226 /nfs/dbraw/zinc/07/22/26/1066072226.db2.gz IREMZHUBWFUZHU-RTWAWAEBSA-N 0 0 471.650 4.639 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001360916769 1066072487 /nfs/dbraw/zinc/07/24/87/1066072487.db2.gz YYEHUIQBOCIMCO-HNNXBMFYSA-N 0 0 463.076 4.830 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC001360917792 1066073044 /nfs/dbraw/zinc/07/30/44/1066073044.db2.gz XGJKAKQYGAAYPY-JPYJTQIMSA-N 0 0 452.576 4.724 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCSC(C)(C)C1 ZINC001360918166 1066073397 /nfs/dbraw/zinc/07/33/97/1066073397.db2.gz LBCKNZQSTTUWAE-UHFFFAOYSA-N 0 0 480.501 4.991 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360918305 1066073784 /nfs/dbraw/zinc/07/37/84/1066073784.db2.gz ORJGTEUNOODGEY-CQSZACIVSA-N 0 0 477.476 4.926 20 0 JJADRN Cc1ccsc1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 ZINC001360918411 1066074338 /nfs/dbraw/zinc/07/43/38/1066074338.db2.gz RFSWBIRUSNZYPI-UHFFFAOYSA-N 0 0 463.430 4.741 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc1Cl ZINC001441824456 1066074509 /nfs/dbraw/zinc/07/45/09/1066074509.db2.gz OQBUAJCMVNVMCJ-LAUBAEHRSA-N 0 0 453.970 4.736 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC001360918543 1066074561 /nfs/dbraw/zinc/07/45/61/1066074561.db2.gz VPXMDECOEQEERH-SFHVURJKSA-N 0 0 473.618 4.818 20 0 JJADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001360919137 1066074765 /nfs/dbraw/zinc/07/47/65/1066074765.db2.gz KSVHDZXARUYBIE-IBGZPJMESA-N 0 0 455.308 4.899 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)cc1Cl ZINC001441830087 1066075032 /nfs/dbraw/zinc/07/50/32/1066075032.db2.gz ZIQWGBZDRSYXMF-HUUCEWRRSA-N 0 0 454.958 4.750 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOc1ccccc1 ZINC001360919964 1066075377 /nfs/dbraw/zinc/07/53/77/1066075377.db2.gz HUPWYVHMVBPIGA-UHFFFAOYSA-N 0 0 469.014 4.906 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1C ZINC001360919911 1066075430 /nfs/dbraw/zinc/07/54/30/1066075430.db2.gz FNTRAXFPSZHXNP-UHFFFAOYSA-N 0 0 472.565 4.837 20 0 JJADRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001441869046 1066075839 /nfs/dbraw/zinc/07/58/39/1066075839.db2.gz QWCUQPQVAALSEA-GDLZYMKVSA-N 0 0 456.391 4.700 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1cccc(C(F)F)c1 ZINC001545944832 1066075921 /nfs/dbraw/zinc/07/59/21/1066075921.db2.gz WMWLXSCZGCGUCU-GASCZTMLSA-N 0 0 469.527 4.910 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360920086 1066075864 /nfs/dbraw/zinc/07/58/64/1066075864.db2.gz NGBFNMAXPLFLFH-UHFFFAOYSA-N 0 0 489.592 4.641 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360920063 1066075946 /nfs/dbraw/zinc/07/59/46/1066075946.db2.gz MMFGLWWHAKZWHU-UHFFFAOYSA-N 0 0 458.031 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)n1C[C@@H]1CC=CCC1 ZINC001545944854 1066076252 /nfs/dbraw/zinc/07/62/52/1066076252.db2.gz XFLAWIVSGGQFDM-DNVFCKCGSA-N 0 0 469.605 4.658 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 ZINC001360920186 1066076287 /nfs/dbraw/zinc/07/62/87/1066076287.db2.gz QVDSYSOFAVYSNZ-UHFFFAOYSA-N 0 0 453.999 4.605 20 0 JJADRN Cc1ncsc1CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCCCO ZINC001360920197 1066076336 /nfs/dbraw/zinc/07/63/36/1066076336.db2.gz RBVVACBBDDUQHI-UHFFFAOYSA-N 0 0 459.685 4.882 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccsc2)ccc1Br ZINC001360920262 1066076493 /nfs/dbraw/zinc/07/64/93/1066076493.db2.gz ABTLYHJMGIJBKM-UHFFFAOYSA-N 0 0 451.367 4.588 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1cccc(NC(=O)C3CCCC3)c1)O2 ZINC001441879795 1066076938 /nfs/dbraw/zinc/07/69/38/1066076938.db2.gz BKSQEYNRINECMN-HHHXNRCGSA-N 0 0 450.579 4.846 20 0 JJADRN CN(Cc1ccccc1)c1ccc(NC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001441880380 1066076951 /nfs/dbraw/zinc/07/69/51/1066076951.db2.gz HSRGCMWNIIGALT-UHFFFAOYSA-N 0 0 453.583 4.678 20 0 JJADRN Cc1ncsc1CCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360921405 1066077461 /nfs/dbraw/zinc/07/74/61/1066077461.db2.gz IAADHZGRVVCPMD-UHFFFAOYSA-N 0 0 485.455 4.733 20 0 JJADRN Cc1ncsc1CCn1c(C2CC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 ZINC001360921206 1066077587 /nfs/dbraw/zinc/07/75/87/1066077587.db2.gz DZCHZZYXROHTCN-KRWDZBQOSA-N 0 0 496.628 4.634 20 0 JJADRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001441885364 1066077837 /nfs/dbraw/zinc/07/78/37/1066077837.db2.gz NHTPRXYHQLNHLX-VGOFRKELSA-N 0 0 455.599 4.943 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC001441885400 1066077864 /nfs/dbraw/zinc/07/78/64/1066077864.db2.gz BOJQIWFIAMPWKL-UHFFFAOYSA-N 0 0 456.315 4.661 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001360922498 1066077900 /nfs/dbraw/zinc/07/79/00/1066077900.db2.gz VOJMZEOZCRCQBJ-UHFFFAOYSA-N 0 0 452.223 4.558 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(OCC3CC3)CC2)c1)c1ccc(Br)cc1 ZINC001360922068 1066078065 /nfs/dbraw/zinc/07/80/65/1066078065.db2.gz NJGZXVCXUDOKOX-UHFFFAOYSA-N 0 0 457.368 4.733 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001441887069 1066078073 /nfs/dbraw/zinc/07/80/73/1066078073.db2.gz QZKVCZJNDZWYHT-DEOSSOPVSA-N 0 0 452.551 4.590 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCCCO ZINC001360922776 1066078267 /nfs/dbraw/zinc/07/82/67/1066078267.db2.gz CERCORSSLADPIA-HXUWFJFHSA-N 0 0 491.702 4.604 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360923135 1066078299 /nfs/dbraw/zinc/07/82/99/1066078299.db2.gz LLVFERBWZSEGBH-PMACEKPBSA-N 0 0 473.687 4.511 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001360922844 1066078432 /nfs/dbraw/zinc/07/84/32/1066078432.db2.gz DXEMRGUWILSSRH-BJLQDIEVSA-N 0 0 489.686 4.681 20 0 JJADRN O=C(c1ccsc1)N1CCN(C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC001441887493 1066078582 /nfs/dbraw/zinc/07/85/82/1066078582.db2.gz QYPIJGDTKAIGDA-OAQYLSRUSA-N 0 0 458.942 4.645 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001360923320 1066078690 /nfs/dbraw/zinc/07/86/90/1066078690.db2.gz PLRGITQWBRYBEY-QUCCMNQESA-N 0 0 489.686 4.826 20 0 JJADRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cc1C ZINC001441887803 1066078673 /nfs/dbraw/zinc/07/86/73/1066078673.db2.gz SAEZMLJGAHKEOA-UHFFFAOYSA-N 0 0 453.351 4.501 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001360923321 1066078732 /nfs/dbraw/zinc/07/87/32/1066078732.db2.gz PLRGITQWBRYBEY-UYAOXDASSA-N 0 0 489.686 4.826 20 0 JJADRN Cc1ccsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCCO1 ZINC001360923147 1066078831 /nfs/dbraw/zinc/07/88/31/1066078831.db2.gz LUJNLIGGCVSYLG-HXUWFJFHSA-N 0 0 489.686 4.620 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCOC2)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001360923387 1066079154 /nfs/dbraw/zinc/07/91/54/1066079154.db2.gz QXSFJWCXSISCOU-IBGZPJMESA-N 0 0 458.603 4.829 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360923432 1066079211 /nfs/dbraw/zinc/07/92/11/1066079211.db2.gz SULZLLMYPVKLJJ-OAHLLOKOSA-N 0 0 465.417 4.777 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 ZINC001360923644 1066079479 /nfs/dbraw/zinc/07/94/79/1066079479.db2.gz YXTWEDZVVNWINK-MOPGFXCFSA-N 0 0 491.727 4.947 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 ZINC001360923645 1066079513 /nfs/dbraw/zinc/07/95/13/1066079513.db2.gz YXTWEDZVVNWINK-OALUTQOASA-N 0 0 491.727 4.947 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001360923453 1066079560 /nfs/dbraw/zinc/07/95/60/1066079560.db2.gz UECLPJQNZUYBAH-UHFFFAOYSA-N 0 0 483.657 4.971 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001360923586 1066079585 /nfs/dbraw/zinc/07/95/85/1066079585.db2.gz XJQHAVCIOXJZJJ-AEFFLSMTSA-N 0 0 494.434 4.699 20 0 JJADRN CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(I)cc2O)cc1 ZINC001441892941 1066079641 /nfs/dbraw/zinc/07/96/41/1066079641.db2.gz OTTBZLVPFOHQSS-AWEZNQCLSA-N 0 0 453.320 4.535 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001360924142 1066079900 /nfs/dbraw/zinc/07/99/00/1066079900.db2.gz JMVWFYXXVREQMJ-KXBFYZLASA-N 0 0 468.520 4.777 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)CCCOc2ccc(Cl)cc2)cs1 ZINC001441896864 1066080147 /nfs/dbraw/zinc/08/01/47/1066080147.db2.gz YGEIQXAONGJMIJ-CQSZACIVSA-N 0 0 453.992 4.923 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2Cl)cc1)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001441911236 1066080545 /nfs/dbraw/zinc/08/05/45/1066080545.db2.gz FXRCJUZLEQXRGC-RTWAWAEBSA-N 0 0 454.935 4.562 20 0 JJADRN Cc1ccsc1CCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001360924509 1066080704 /nfs/dbraw/zinc/08/07/04/1066080704.db2.gz QRKRVTLDQDTSDA-QGZVFWFLSA-N 0 0 481.563 4.693 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360924638 1066080714 /nfs/dbraw/zinc/08/07/14/1066080714.db2.gz TZXIOAZYYBQJHE-DEOSSOPVSA-N 0 0 457.619 4.657 20 0 JJADRN Cc1ccsc1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001360924422 1066080724 /nfs/dbraw/zinc/08/07/24/1066080724.db2.gz OULHVUAHCXLIRN-HSZRJFAPSA-N 0 0 479.694 4.807 20 0 JJADRN Cc1ccsc1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360924405 1066080734 /nfs/dbraw/zinc/08/07/34/1066080734.db2.gz OLHLYEHNULUDAK-OAQYLSRUSA-N 0 0 496.681 4.712 20 0 JJADRN Cc1c(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)nnn1-c1ccc(F)c(Cl)c1 ZINC001360924738 1066080773 /nfs/dbraw/zinc/08/07/73/1066080773.db2.gz MPTAOFGAKGCAMR-FQEVSTJZSA-N 0 0 456.949 4.541 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)cc1 ZINC001360924807 1066081134 /nfs/dbraw/zinc/08/11/34/1066081134.db2.gz OGRBNALIJXRAKH-QHCPKHFHSA-N 0 0 450.558 4.702 20 0 JJADRN C[C@@H](NC(=O)c1cccc(Br)c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001441923382 1066081299 /nfs/dbraw/zinc/08/12/99/1066081299.db2.gz BNKROCUXFJKTLF-CYBMUJFWSA-N 0 0 456.315 4.914 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc(F)c2I)cc1 ZINC001360925685 1066081397 /nfs/dbraw/zinc/08/13/97/1066081397.db2.gz NXIRZNSURIKMDW-DNVCBOLYSA-N 0 0 453.295 4.636 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(I)ccc2F)cc1 ZINC001360925537 1066081538 /nfs/dbraw/zinc/08/15/38/1066081538.db2.gz JBKJDSJVCQGQBH-KXBFYZLASA-N 0 0 453.295 4.636 20 0 JJADRN Cc1cc(CN(C)C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc(C)c1OCC(F)(F)F ZINC001441932526 1066081780 /nfs/dbraw/zinc/08/17/80/1066081780.db2.gz RLABYNVKYCUIRG-GOSISDBHSA-N 0 0 458.521 4.993 20 0 JJADRN CC(C)(C)OC(=O)N1CCCN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC001441934613 1066081816 /nfs/dbraw/zinc/08/18/16/1066081816.db2.gz WFPUHOXFNKCNNB-UHFFFAOYSA-N 0 0 458.986 4.931 20 0 JJADRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC001441946349 1066082163 /nfs/dbraw/zinc/08/21/63/1066082163.db2.gz JFOKZUBKLWLNEK-SFHVURJKSA-N 0 0 455.386 4.684 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)cc1 ZINC001441950746 1066082286 /nfs/dbraw/zinc/08/22/86/1066082286.db2.gz MOERNYZJGGLIFJ-JOCHJYFZSA-N 0 0 456.861 4.550 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001360926040 1066082287 /nfs/dbraw/zinc/08/22/87/1066082287.db2.gz GFGIWCWMDJQSIJ-AWEZNQCLSA-N 0 0 494.484 4.569 20 0 JJADRN Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC001441953772 1066082531 /nfs/dbraw/zinc/08/25/31/1066082531.db2.gz CCIIXVWQMVVFSS-UHFFFAOYSA-N 0 0 455.002 4.750 20 0 JJADRN Cc1ncsc1CCn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001360926297 1066082654 /nfs/dbraw/zinc/08/26/54/1066082654.db2.gz KXUJOZGVJJNUKP-UHFFFAOYSA-N 0 0 487.073 4.589 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCC(F)(F)F ZINC001441958891 1066083086 /nfs/dbraw/zinc/08/30/86/1066083086.db2.gz MUVFFLWUIKVJEI-LJQANCHMSA-N 0 0 452.473 4.818 20 0 JJADRN Cc1cc(C)cc(N(C)C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)c1 ZINC001441962807 1066083098 /nfs/dbraw/zinc/08/30/98/1066083098.db2.gz ZNTZJNASCHIESV-UHFFFAOYSA-N 0 0 458.400 4.841 20 0 JJADRN Cc1nn(-c2ccc(C(=O)N3CCN(C(=O)CCC4CCCCC4)CC3)cc2)c(C)c1Cl ZINC001441958170 1066083163 /nfs/dbraw/zinc/08/31/63/1066083163.db2.gz MUGFLWZTSIUGCK-UHFFFAOYSA-N 0 0 457.018 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)C1 ZINC001545945436 1066083388 /nfs/dbraw/zinc/08/33/88/1066083388.db2.gz SUGILVXXFREUTH-IBGZPJMESA-N 0 0 457.527 4.812 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001360926586 1066083497 /nfs/dbraw/zinc/08/34/97/1066083497.db2.gz UPMNMBORHQKKHG-PBWTXFEYSA-N 0 0 474.675 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC001441982538 1066083865 /nfs/dbraw/zinc/08/38/65/1066083865.db2.gz DESSQJILWZYGPJ-GAJHUEQPSA-N 0 0 451.995 4.731 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001360928523 1066084220 /nfs/dbraw/zinc/08/42/20/1066084220.db2.gz JMPZPDMEGCNOTL-GHTZIAJQSA-N 0 0 459.612 4.682 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001441986630 1066084331 /nfs/dbraw/zinc/08/43/31/1066084331.db2.gz QRCYIRXRNXGJAU-FOIQADDNSA-N 0 0 452.505 4.654 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)c1ccsc1 ZINC001360929347 1066084637 /nfs/dbraw/zinc/08/46/37/1066084637.db2.gz CJJXLNDFNCTKOZ-NRFANRHFSA-N 0 0 490.427 4.553 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1 ZINC001360929349 1066084801 /nfs/dbraw/zinc/08/48/01/1066084801.db2.gz CJSIFJSLZAHGEQ-KRWDZBQOSA-N 0 0 464.433 4.870 20 0 JJADRN CCC1CCC(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001441996375 1066084839 /nfs/dbraw/zinc/08/48/39/1066084839.db2.gz XUPYWGUFHGYZSU-VCWRXUFXSA-N 0 0 456.656 4.668 20 0 JJADRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001441994069 1066084879 /nfs/dbraw/zinc/08/48/79/1066084879.db2.gz YKUYDYHNSSXMMV-UHFFFAOYSA-N 0 0 457.553 4.970 20 0 JJADRN CCC1CCC(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001441996354 1066084896 /nfs/dbraw/zinc/08/48/96/1066084896.db2.gz XUPYWGUFHGYZSU-UVHRUJRTSA-N 0 0 456.656 4.668 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 ZINC001360929573 1066085566 /nfs/dbraw/zinc/08/55/66/1066085566.db2.gz JQRPLEFQBTXMHQ-HOTGVXAUSA-N 0 0 479.672 4.807 20 0 JJADRN C[C@@H]1CCCN(Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024493 1066085681 /nfs/dbraw/zinc/08/56/81/1066085681.db2.gz XCAXIGNUETYNBE-NQIIRXRSSA-N 0 0 456.612 4.505 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1ccnc1C ZINC001360930009 1066086520 /nfs/dbraw/zinc/08/65/20/1066086520.db2.gz PFERRLAEWXYROU-QGZVFWFLSA-N 0 0 469.590 4.554 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ncccc1N(C)C ZINC001360930058 1066086720 /nfs/dbraw/zinc/08/67/20/1066086720.db2.gz RHMIJAZMHYHEGX-SFHVURJKSA-N 0 0 464.545 4.604 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)[C@@H](C)c1sc(CC)nc1C ZINC001360930440 1066087047 /nfs/dbraw/zinc/08/70/47/1066087047.db2.gz FMBFAHLFPBWEQY-HOTGVXAUSA-N 0 0 454.683 4.898 20 0 JJADRN CC[C@@H](O)Cn1cc(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)nn1 ZINC001442032626 1066087066 /nfs/dbraw/zinc/08/70/66/1066087066.db2.gz AQJRLJHPLQPYCV-JXHGYLODSA-N 0 0 452.643 4.613 20 0 JJADRN CCN(CCc1ccccn1)C(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442043083 1066087416 /nfs/dbraw/zinc/08/74/16/1066087416.db2.gz CEHLYCAGYUOOQB-HXUWFJFHSA-N 0 0 457.574 4.647 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CC1 ZINC001360931005 1066087813 /nfs/dbraw/zinc/08/78/13/1066087813.db2.gz YGOCNKGJTARJHD-IVZQSRNASA-N 0 0 462.019 4.634 20 0 JJADRN CCC(CC)(C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)C(=O)OC(C)(C)C ZINC001442043136 1066087763 /nfs/dbraw/zinc/08/77/63/1066087763.db2.gz GGTNCRZLPLEAKJ-MRXNPFEDSA-N 0 0 453.421 4.540 20 0 JJADRN CCN(CCc1ccccn1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001442047472 1066087802 /nfs/dbraw/zinc/08/78/02/1066087802.db2.gz JBETYZJAGAXKBM-LJQANCHMSA-N 0 0 451.489 4.757 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)cnn1C ZINC001360931067 1066088194 /nfs/dbraw/zinc/08/81/94/1066088194.db2.gz ZMJXZCAUGFRBKF-INIZCTEOSA-N 0 0 457.003 4.860 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C)CCOCC1 ZINC001360931492 1066088658 /nfs/dbraw/zinc/08/86/58/1066088658.db2.gz VXAWYVZIORHQMC-QGZVFWFLSA-N 0 0 459.591 4.775 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001360931999 1066089020 /nfs/dbraw/zinc/08/90/20/1066089020.db2.gz BQGAOFAAOZZGRV-GDBMZVCRSA-N 0 0 476.444 4.924 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC001442068322 1066089334 /nfs/dbraw/zinc/08/93/34/1066089334.db2.gz HTZVBGMQSGZIRV-RBUKOAKNSA-N 0 0 458.486 4.516 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001360932340 1066089635 /nfs/dbraw/zinc/08/96/35/1066089635.db2.gz BSIYPBMFKARSEV-KRWDZBQOSA-N 0 0 459.512 4.677 20 0 JJADRN CC1(C)Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4F)cc3)cc2O1 ZINC001442069278 1066089675 /nfs/dbraw/zinc/08/96/75/1066089675.db2.gz KBWVLLLYXAJYQK-UHFFFAOYSA-N 0 0 458.486 4.731 20 0 JJADRN Cc1ccnc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4F)cc3)cc12 ZINC001442072645 1066090094 /nfs/dbraw/zinc/09/00/94/1066090094.db2.gz UPTFULSFJHZWJT-UHFFFAOYSA-N 0 0 453.470 4.875 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@H]1C ZINC001360932753 1066090643 /nfs/dbraw/zinc/09/06/43/1066090643.db2.gz RUZDGLCVPUNLMI-PEBXRYMYSA-N 0 0 477.378 4.936 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@@H]1C ZINC001360932754 1066090685 /nfs/dbraw/zinc/09/06/85/1066090685.db2.gz RUZDGLCVPUNLMI-RCDICMHDSA-N 0 0 477.378 4.936 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@](C)(O)c1ccccc1 ZINC001360932907 1066090698 /nfs/dbraw/zinc/09/06/98/1066090698.db2.gz UMEVGBBFHWINSU-HSZRJFAPSA-N 0 0 484.398 4.871 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCSC1 ZINC001360933171 1066091133 /nfs/dbraw/zinc/09/11/33/1066091133.db2.gz WTQDEHIEAAJVCS-ZDUSSCGKSA-N 0 0 467.462 4.580 20 0 JJADRN CC(C)COc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1N ZINC001442081936 1066091120 /nfs/dbraw/zinc/09/11/20/1066091120.db2.gz UILNXFRIXKTRID-UHFFFAOYSA-N 0 0 456.178 4.759 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1C ZINC001442087362 1066092227 /nfs/dbraw/zinc/09/22/27/1066092227.db2.gz ZUXGYWWRJWJALJ-AWEZNQCLSA-N 0 0 458.946 4.810 20 0 JJADRN CO[C@@H](CNC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 ZINC001442092059 1066092545 /nfs/dbraw/zinc/09/25/45/1066092545.db2.gz JNBQJENBQFNBSE-JXFKEZNVSA-N 0 0 451.348 4.754 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C(C)C ZINC001360934631 1066092810 /nfs/dbraw/zinc/09/28/10/1066092810.db2.gz GLGZQNSVLFDJIB-UHFFFAOYSA-N 0 0 450.370 4.562 20 0 JJADRN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccccc2)O1 ZINC001442101545 1066093001 /nfs/dbraw/zinc/09/30/01/1066093001.db2.gz DKCDSZILAOZIAH-AEFFLSMTSA-N 0 0 456.505 4.555 20 0 JJADRN CCCN(CC1CCCCC1)C(=O)c1cnn(-c2ccccc2)c1I ZINC001442099020 1066093011 /nfs/dbraw/zinc/09/30/11/1066093011.db2.gz ZFQLIFVNVTXWKY-UHFFFAOYSA-N 0 0 451.352 4.909 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[C@@H](C)C2)cnn1C ZINC001360934750 1066093266 /nfs/dbraw/zinc/09/32/66/1066093266.db2.gz KOVMFPCKVVNBGS-GDBMZVCRSA-N 0 0 475.410 4.961 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)C(C)C ZINC001360935047 1066093728 /nfs/dbraw/zinc/09/37/28/1066093728.db2.gz VKTJMTRGMZYGEQ-SFHVURJKSA-N 0 0 470.462 4.577 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)C[C@H](c2ccccc2)O1 ZINC001442105382 1066093740 /nfs/dbraw/zinc/09/37/40/1066093740.db2.gz OGQJLAUMOUNZGE-QNJRMEPDSA-N 0 0 452.982 4.723 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCCOC3CCCCC3)ccc2C)c(C)c1 ZINC001442104277 1066093800 /nfs/dbraw/zinc/09/38/00/1066093800.db2.gz FDLWWHVLBWIYNT-UHFFFAOYSA-N 0 0 458.624 4.800 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N(C)C)nc1 ZINC001360935152 1066094484 /nfs/dbraw/zinc/09/44/84/1066094484.db2.gz CAWQWOQDBKOSPP-UHFFFAOYSA-N 0 0 454.003 4.509 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C1CCCCC1 ZINC001360935182 1066094673 /nfs/dbraw/zinc/09/46/73/1066094673.db2.gz DPTTXCCUXRYFDO-UHFFFAOYSA-N 0 0 473.046 4.791 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1(=O)=O ZINC001360935273 1066094737 /nfs/dbraw/zinc/09/47/37/1066094737.db2.gz ZSWXESXHRVARRZ-QGZVFWFLSA-N 0 0 483.421 4.757 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2F)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360935318 1066095113 /nfs/dbraw/zinc/09/51/13/1066095113.db2.gz FZNDZKZYJZRWON-UHFFFAOYSA-N 0 0 457.550 4.879 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360935632 1066095549 /nfs/dbraw/zinc/09/55/49/1066095549.db2.gz RLRYURXFRGBOTE-AEFFLSMTSA-N 0 0 459.388 4.797 20 0 JJADRN CCCCC1CCC(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001442112127 1066095666 /nfs/dbraw/zinc/09/56/66/1066095666.db2.gz AMEOPOFAKUFFQY-QVHXHXEWSA-N 0 0 457.615 4.943 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC001442112933 1066095688 /nfs/dbraw/zinc/09/56/88/1066095688.db2.gz HMDMFWTWVMKQQZ-CKDFRHGISA-N 0 0 455.530 4.833 20 0 JJADRN O=C(/C=C\c1ccc(Cl)nc1)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC001360936259 1066095892 /nfs/dbraw/zinc/09/58/92/1066095892.db2.gz QTTMVIZNPMOVPB-UITAMQMPSA-N 0 0 457.715 4.797 20 0 JJADRN O=C(CC(F)(F)C(F)(F)F)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC001360936034 1066095951 /nfs/dbraw/zinc/09/59/51/1066095951.db2.gz HAKJSYRALUFHDE-UHFFFAOYSA-N 0 0 452.177 4.623 20 0 JJADRN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc(Br)cn2ccnc12 ZINC001360936212 1066095999 /nfs/dbraw/zinc/09/59/99/1066095999.db2.gz ORFALCLEMRIWOJ-UHFFFAOYSA-N 0 0 451.777 4.556 20 0 JJADRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Cl)ccc1N1CCSCC1 ZINC001360936294 1066096055 /nfs/dbraw/zinc/09/60/55/1066096055.db2.gz RXVKIYHDHXNIMN-UHFFFAOYSA-N 0 0 458.937 4.626 20 0 JJADRN CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)sc2C1 ZINC001360936135 1066096086 /nfs/dbraw/zinc/09/60/86/1066096086.db2.gz LETHZXSTUXWOHJ-GUYCJALGSA-N 0 0 450.029 4.855 20 0 JJADRN Cc1cc(C(C)(C)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)ccc1Br ZINC001442114306 1066096149 /nfs/dbraw/zinc/09/61/49/1066096149.db2.gz XZVVECMNSIGYQF-GOSISDBHSA-N 0 0 459.428 4.572 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001360937181 1066096455 /nfs/dbraw/zinc/09/64/55/1066096455.db2.gz LUPHUCSIZRKDNW-UHFFFAOYSA-N 0 0 476.528 4.802 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(C)(C)C(C)C)cnn1C ZINC001360937976 1066097163 /nfs/dbraw/zinc/09/71/63/1066097163.db2.gz GVHSXABQDFJKFX-UHFFFAOYSA-N 0 0 490.656 4.596 20 0 JJADRN Cc1c(CN(C)c2nnc(C3CCCC3)n2CCc2ccc(OC(F)(F)F)cc2)cnn1C ZINC001360940357 1066097479 /nfs/dbraw/zinc/09/74/79/1066097479.db2.gz LKCOUDGXWUKNGL-UHFFFAOYSA-N 0 0 462.520 4.755 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360939977 1066097517 /nfs/dbraw/zinc/09/75/17/1066097517.db2.gz AOIGEJPTWHMTJP-OAHLLOKOSA-N 0 0 469.508 4.780 20 0 JJADRN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001442149818 1066098002 /nfs/dbraw/zinc/09/80/02/1066098002.db2.gz KGSMXFIBDRHROH-HNNXBMFYSA-N 0 0 459.775 4.545 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001442149744 1066098080 /nfs/dbraw/zinc/09/80/80/1066098080.db2.gz JOUHLIFOTVSORD-HZPDHXFCSA-N 0 0 451.792 4.821 20 0 JJADRN Cc1ccccc1C1(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC001442162302 1066098478 /nfs/dbraw/zinc/09/84/78/1066098478.db2.gz FYEYEAMNFVLOGR-OAQYLSRUSA-N 0 0 458.643 4.833 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1Br ZINC001442162793 1066098496 /nfs/dbraw/zinc/09/84/96/1066098496.db2.gz WWFFNMQUSIZMHB-GFCCVEGCSA-N 0 0 456.153 4.607 20 0 JJADRN CCCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943126 1066098563 /nfs/dbraw/zinc/09/85/63/1066098563.db2.gz HILARQXYSTZPNN-SANMLTNESA-N 0 0 456.521 4.717 20 0 JJADRN CCCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943125 1066098603 /nfs/dbraw/zinc/09/86/03/1066098603.db2.gz HILARQXYSTZPNN-AREMUKBSSA-N 0 0 456.521 4.717 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001442170108 1066098665 /nfs/dbraw/zinc/09/86/65/1066098665.db2.gz BUWQEPLPDLXLAR-GFCCVEGCSA-N 0 0 451.778 4.789 20 0 JJADRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cn(C(C)(C)C)nc4Br)CC3)c2c1 ZINC001442163445 1066098719 /nfs/dbraw/zinc/09/87/19/1066098719.db2.gz XLCAKNWKJVXQEW-UHFFFAOYSA-N 0 0 459.388 4.910 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001442164284 1066098810 /nfs/dbraw/zinc/09/88/10/1066098810.db2.gz ZKGGFVPPFIGOJF-GOSISDBHSA-N 0 0 457.412 4.956 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360943607 1066098955 /nfs/dbraw/zinc/09/89/55/1066098955.db2.gz AQMHKNNWWBXFCZ-UHFFFAOYSA-N 0 0 468.549 4.652 20 0 JJADRN Cc1c(CN(C)c2nnc(CC(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)cnn1C ZINC001360943953 1066099044 /nfs/dbraw/zinc/09/90/44/1066099044.db2.gz HGUFIQCRYXFKRM-UHFFFAOYSA-N 0 0 463.561 4.530 20 0 JJADRN Cc1c(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccccc2NC(=O)OC(C)(C)C)cnn1C ZINC001360944148 1066099195 /nfs/dbraw/zinc/09/91/95/1066099195.db2.gz NTRLESCRDXXIEW-UHFFFAOYSA-N 0 0 481.645 4.940 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001360944586 1066099253 /nfs/dbraw/zinc/09/92/53/1066099253.db2.gz BQTGTSUMTFTSIH-MRXNPFEDSA-N 0 0 469.014 4.786 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360944662 1066099427 /nfs/dbraw/zinc/09/94/27/1066099427.db2.gz FBTRERYCYBAWCM-XMMPIXPASA-N 0 0 457.619 4.741 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442179119 1066099535 /nfs/dbraw/zinc/09/95/35/1066099535.db2.gz CQEXRWSAIYETCE-MERDRXRJSA-N 0 0 454.558 4.891 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001360944801 1066099653 /nfs/dbraw/zinc/09/96/53/1066099653.db2.gz JQMNCNLAZAMXJS-INIZCTEOSA-N 0 0 488.633 4.570 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H](C)Cc2cccs2)cnn1C ZINC001360945184 1066100219 /nfs/dbraw/zinc/10/02/19/1066100219.db2.gz XNEGDYHJHXWPGT-KRWDZBQOSA-N 0 0 452.603 4.627 20 0 JJADRN Cc1ccc(C(=O)N(Cc2cccc(F)c2)C(C)C)cc1S(=O)(=O)NCc1ccccc1 ZINC001442188009 1066100603 /nfs/dbraw/zinc/10/06/03/1066100603.db2.gz IAYCBMILGTVIOR-UHFFFAOYSA-N 0 0 454.567 4.663 20 0 JJADRN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001442190121 1066100681 /nfs/dbraw/zinc/10/06/81/1066100681.db2.gz XHCMQTQBVAZMRF-GQEMFKIVSA-N 0 0 452.860 4.720 20 0 JJADRN CCOC(=O)COc1ccc(CCNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001360945519 1066100693 /nfs/dbraw/zinc/10/06/93/1066100693.db2.gz MYUPOSJIPWILAC-BJMVGYQFSA-N 0 0 455.860 4.673 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360946262 1066101375 /nfs/dbraw/zinc/10/13/75/1066101375.db2.gz GOXICGTZTZTJJZ-HXUWFJFHSA-N 0 0 471.627 4.868 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC(C)C ZINC001360947082 1066101953 /nfs/dbraw/zinc/10/19/53/1066101953.db2.gz XUMZRLJUTDQESX-UHFFFAOYSA-N 0 0 462.623 4.748 20 0 JJADRN CCCOc1ccc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(OCCC)c1 ZINC001442207644 1066102014 /nfs/dbraw/zinc/10/20/14/1066102014.db2.gz MLLGDRNCBYIEDN-UHFFFAOYSA-N 0 0 458.986 4.906 20 0 JJADRN CCCCC1CCC(CNC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 ZINC001442212536 1066102356 /nfs/dbraw/zinc/10/23/56/1066102356.db2.gz UHDWBFWKIWLFMJ-UHFFFAOYSA-N 0 0 459.656 4.527 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(CCOc2ccccc2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001360947377 1066102355 /nfs/dbraw/zinc/10/23/55/1066102355.db2.gz JPGYQTKDMUYSLZ-QUCCMNQESA-N 0 0 455.628 4.506 20 0 JJADRN Cc1c(CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)cc2)cnn1C ZINC001360947472 1066102368 /nfs/dbraw/zinc/10/23/68/1066102368.db2.gz MWEMTEGPNWJOLQ-UHFFFAOYSA-N 0 0 476.547 4.679 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cc(N2CCOCC2)ccn1 ZINC001442211142 1066102532 /nfs/dbraw/zinc/10/25/32/1066102532.db2.gz PTGZFXGDPOVAOA-UHFFFAOYSA-N 0 0 459.468 4.859 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(F)c(F)cc1I ZINC001360948899 1066103625 /nfs/dbraw/zinc/10/36/25/1066103625.db2.gz MAZHMWJDYMPACS-ZETCQYMHSA-N 0 0 455.601 4.768 20 0 JJADRN Cc1cc(C(=O)NCc2ccccc2OC(C)(C)C)cc(C)c1OCC(=O)N1CCCCC1 ZINC001360948744 1066103701 /nfs/dbraw/zinc/10/37/01/1066103701.db2.gz HIQFOQQMVXXFPS-UHFFFAOYSA-N 0 0 452.595 4.802 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001442224615 1066103624 /nfs/dbraw/zinc/10/36/24/1066103624.db2.gz VCLQPLJLEHINSS-UHFFFAOYSA-N 0 0 452.960 4.635 20 0 JJADRN Cc1sc(CNC(=O)CCNC(=O)c2cc3ccccc3[nH]2)nc1-c1ccc(Cl)cc1 ZINC001442220641 1066103698 /nfs/dbraw/zinc/10/36/98/1066103698.db2.gz KMNGDYXJWPLDRB-UHFFFAOYSA-N 0 0 452.967 4.690 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001360948866 1066103722 /nfs/dbraw/zinc/10/37/22/1066103722.db2.gz KSZZRKBFZVZQFP-UHFFFAOYSA-N 0 0 459.621 4.661 20 0 JJADRN Cc1sc(CNC(=O)c2cnn(CCO)c2-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001442225372 1066104373 /nfs/dbraw/zinc/10/43/73/1066104373.db2.gz XGQPTBVRZZCPMS-UHFFFAOYSA-N 0 0 452.967 4.558 20 0 JJADRN Cc1c(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)cnn1C ZINC001360949396 1066104297 /nfs/dbraw/zinc/10/42/97/1066104297.db2.gz FFMWJJXXEHAGFN-DEOSSOPVSA-N 0 0 477.588 4.509 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)NC(C)C ZINC001360949505 1066104916 /nfs/dbraw/zinc/10/49/16/1066104916.db2.gz JCMRQKSJOBHYAT-UHFFFAOYSA-N 0 0 480.396 4.616 20 0 JJADRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC001442229627 1066105077 /nfs/dbraw/zinc/10/50/77/1066105077.db2.gz CALXTJPIMCZUQC-HXUWFJFHSA-N 0 0 451.468 4.777 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360949597 1066105552 /nfs/dbraw/zinc/10/55/52/1066105552.db2.gz LXWNONWIRVYTEJ-YKSBVNFPSA-N 0 0 456.562 4.985 20 0 JJADRN Cc1c(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccncc2Cl)cnn1C ZINC001360949639 1066106251 /nfs/dbraw/zinc/10/62/51/1066106251.db2.gz NPNVJXBAYJBMDM-UHFFFAOYSA-N 0 0 488.448 4.999 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC001442240052 1066106679 /nfs/dbraw/zinc/10/66/79/1066106679.db2.gz TWTIAAXTPGHPBZ-CVDCTZTESA-N 0 0 451.007 4.730 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)ccc2C1 ZINC001442244165 1066107251 /nfs/dbraw/zinc/10/72/51/1066107251.db2.gz HEDDHTSQHUHCFW-LJQANCHMSA-N 0 0 458.942 4.723 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nccn1C(F)F ZINC001360949866 1066107502 /nfs/dbraw/zinc/10/75/02/1066107502.db2.gz WOILFCYAAHMJJN-UHFFFAOYSA-N 0 0 479.944 4.552 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001442247690 1066107879 /nfs/dbraw/zinc/10/78/79/1066107879.db2.gz GODWNGPSNDEKSU-IBGZPJMESA-N 0 0 451.007 4.961 20 0 JJADRN Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001442247694 1066107918 /nfs/dbraw/zinc/10/79/18/1066107918.db2.gz GODWNGPSNDEKSU-LJQANCHMSA-N 0 0 451.007 4.961 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001442251642 1066108347 /nfs/dbraw/zinc/10/83/47/1066108347.db2.gz AAKFXNRPFNAOJR-HSZRJFAPSA-N 0 0 454.615 4.936 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N3CCC[C@H]3c3ccccn3)s2)CC1 ZINC001442253811 1066108931 /nfs/dbraw/zinc/10/89/31/1066108931.db2.gz XHGSSVUMSNSFCL-IBGZPJMESA-N 0 0 456.612 4.705 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001442257434 1066109427 /nfs/dbraw/zinc/10/94/27/1066109427.db2.gz HCBBURVQXKUIIH-QFIPXVFZSA-N 0 0 454.368 4.522 20 0 JJADRN O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCN(CCc2cccs2)CC1 ZINC001442256200 1066109580 /nfs/dbraw/zinc/10/95/80/1066109580.db2.gz DFAZNBFNWVIYFI-UHFFFAOYSA-N 0 0 452.805 4.646 20 0 JJADRN Cc1c(Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cnn1CC(C)C ZINC001360953656 1066110236 /nfs/dbraw/zinc/11/02/36/1066110236.db2.gz TWZRXYVRCFJPRL-QFIPXVFZSA-N 0 0 475.012 4.981 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001360953317 1066110253 /nfs/dbraw/zinc/11/02/53/1066110253.db2.gz KMNVFBXPWNKLBJ-INIZCTEOSA-N 0 0 450.543 4.680 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 ZINC001360954624 1066110919 /nfs/dbraw/zinc/11/09/19/1066110919.db2.gz XPDBBTSDMGRILD-UHFFFAOYSA-N 0 0 481.666 4.822 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cnn1CC(C)C ZINC001360955529 1066111441 /nfs/dbraw/zinc/11/14/41/1066111441.db2.gz DZOPJIOMDJARFO-QUCCMNQESA-N 0 0 484.620 4.770 20 0 JJADRN Cc1ccc(-c2nnc(NC(=O)[C@@H]3N(C(=O)OCc4ccccc4)CC3(C)C)s2)c(C)c1 ZINC001442284789 1066111835 /nfs/dbraw/zinc/11/18/35/1066111835.db2.gz OPYHWNHNOSKXAX-IBGZPJMESA-N 0 0 450.564 4.808 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1oc2ccc(F)cc2c1C ZINC001360955876 1066112557 /nfs/dbraw/zinc/11/25/57/1066112557.db2.gz HLKRKTNGAGOBDZ-GOSISDBHSA-N 0 0 457.550 4.664 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)c3cc(S(=O)(=O)C(C)C)ccc3F)n2)cc1 ZINC001360955955 1066112612 /nfs/dbraw/zinc/11/26/12/1066112612.db2.gz GMJWYGMFUVXMEM-UHFFFAOYSA-N 0 0 451.570 4.501 20 0 JJADRN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cc(C(F)(F)F)ccc1Br ZINC001442298373 1066112784 /nfs/dbraw/zinc/11/27/84/1066112784.db2.gz IHXQKCAELCDXPR-QGZVFWFLSA-N 0 0 455.274 4.561 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCNC(=O)C(C)C ZINC001360956549 1066112952 /nfs/dbraw/zinc/11/29/52/1066112952.db2.gz NJAWQTIQTCLNOQ-KRWDZBQOSA-N 0 0 476.046 4.698 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)C(=O)OC)cc1 ZINC001442299724 1066113530 /nfs/dbraw/zinc/11/35/30/1066113530.db2.gz KUCYRCDZKQZMML-NNIWKIFQSA-N 0 0 453.432 4.563 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@H](CC(C)C)n3ccnc3)cc2Cl)n1 ZINC001442301649 1066114094 /nfs/dbraw/zinc/11/40/94/1066114094.db2.gz ISNFYWFZMUWTNZ-UWJYYQICSA-N 0 0 456.978 4.775 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC001442302008 1066114105 /nfs/dbraw/zinc/11/41/05/1066114105.db2.gz KYQLUPBYKXNGES-UHFFFAOYSA-N 0 0 450.579 4.627 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOCC1CC1 ZINC001360958122 1066114553 /nfs/dbraw/zinc/11/45/53/1066114553.db2.gz GOWHYNXKRVIJFG-UHFFFAOYSA-N 0 0 463.351 4.659 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)C(=O)OC)cc1 ZINC001442305063 1066114724 /nfs/dbraw/zinc/11/47/24/1066114724.db2.gz WVRCKVJCTMBOSS-HXUWFJFHSA-N 0 0 451.563 4.954 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc(C(C)(C)C)c1O ZINC001442306292 1066115305 /nfs/dbraw/zinc/11/53/05/1066115305.db2.gz LQFWTECGLUKQJL-IBGZPJMESA-N 0 0 456.602 4.519 20 0 JJADRN Cc1c(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCCCC2)cnn1C ZINC001360958692 1066115694 /nfs/dbraw/zinc/11/56/94/1066115694.db2.gz RMVGLNFGYLPCKU-UHFFFAOYSA-N 0 0 461.383 4.706 20 0 JJADRN NC(=O)[C@@H](CNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC001442310281 1066115878 /nfs/dbraw/zinc/11/58/78/1066115878.db2.gz SSIVANYEWIKZQF-MRXNPFEDSA-N 0 0 459.443 4.662 20 0 JJADRN Cc1ccoc1Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001360959102 1066116178 /nfs/dbraw/zinc/11/61/78/1066116178.db2.gz ZPQBHLGTXOBWRT-AWEZNQCLSA-N 0 0 463.351 4.800 20 0 JJADRN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCCN(CC(F)(F)F)CC1 ZINC001442328692 1066116497 /nfs/dbraw/zinc/11/64/97/1066116497.db2.gz RKOCFMXDHXUACM-HMMYKYKNSA-N 0 0 454.439 4.925 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360959507 1066116816 /nfs/dbraw/zinc/11/68/16/1066116816.db2.gz FDWWAUGDTDAZEN-UHFFFAOYSA-N 0 0 491.333 4.612 20 0 JJADRN Cc1c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cnn1CC(C)C ZINC001360959531 1066116844 /nfs/dbraw/zinc/11/68/44/1066116844.db2.gz GGLWRVVPOSKQGX-AUSIDOKSSA-N 0 0 498.697 4.573 20 0 JJADRN CC(C)Cn1ccc2cc(NC(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)ccc21 ZINC001442332050 1066116917 /nfs/dbraw/zinc/11/69/17/1066116917.db2.gz QUZNZOGPZBMDPE-UHFFFAOYSA-N 0 0 454.379 4.521 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001360959669 1066117188 /nfs/dbraw/zinc/11/71/88/1066117188.db2.gz LLCUMNCQNBBRIG-UHFFFAOYSA-N 0 0 469.540 4.685 20 0 JJADRN Cc1cccc(Nc2ccccc2C(=O)NCc2cccc(OCCN3CCOCC3)c2)c1C ZINC001442335991 1066117616 /nfs/dbraw/zinc/11/76/16/1066117616.db2.gz ZPCAPGGWDZRSHU-UHFFFAOYSA-N 0 0 459.590 4.688 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCO1 ZINC001360959928 1066117634 /nfs/dbraw/zinc/11/76/34/1066117634.db2.gz UMCVKRXJLCJZSR-OAHLLOKOSA-N 0 0 465.779 4.926 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1 ZINC001360959957 1066117673 /nfs/dbraw/zinc/11/76/73/1066117673.db2.gz UYNNOOAAVQGBKY-UHFFFAOYSA-N 0 0 453.431 4.803 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC2COC(C)(C)OC2)cnn1CC(C)C ZINC001360960109 1066118186 /nfs/dbraw/zinc/11/81/86/1066118186.db2.gz APKSJELTZJPMLU-UHFFFAOYSA-N 0 0 487.048 4.643 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001360960380 1066119026 /nfs/dbraw/zinc/11/90/26/1066119026.db2.gz KQCDLCQGBTYMPS-UHFFFAOYSA-N 0 0 476.408 4.896 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360960493 1066119686 /nfs/dbraw/zinc/11/96/86/1066119686.db2.gz NTXVFAIDKPYYBU-UHFFFAOYSA-N 0 0 464.357 4.631 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360960444 1066119782 /nfs/dbraw/zinc/11/97/82/1066119782.db2.gz MLLPHMCAMDNPPO-MRXNPFEDSA-N 0 0 485.997 4.544 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)Nc1ccc2[nH]cnc2c1 ZINC001442353920 1066119805 /nfs/dbraw/zinc/11/98/05/1066119805.db2.gz JDPDNWZWKRZPHP-UHFFFAOYSA-N 0 0 455.337 4.820 20 0 JJADRN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC001442355851 1066119853 /nfs/dbraw/zinc/11/98/53/1066119853.db2.gz WCIQNOIVFVLCAF-DLBZAZTESA-N 0 0 456.995 4.912 20 0 JJADRN O=C(Nc1ccc2[nH]cnc2c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001442357204 1066119882 /nfs/dbraw/zinc/11/98/82/1066119882.db2.gz SAXJMLYVOXAQFH-UHFFFAOYSA-N 0 0 456.762 4.703 20 0 JJADRN Cc1c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCCC2)cnn1CC(C)C ZINC001360960715 1066120110 /nfs/dbraw/zinc/12/01/10/1066120110.db2.gz WWNQLZYDWKJFSY-UHFFFAOYSA-N 0 0 461.383 4.656 20 0 JJADRN Cc1nnsc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1csc(Br)c1 ZINC001360960725 1066120141 /nfs/dbraw/zinc/12/01/41/1066120141.db2.gz XERTWSVOMURLOA-UHFFFAOYSA-N 0 0 496.847 4.662 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1 ZINC001360960973 1066120682 /nfs/dbraw/zinc/12/06/82/1066120682.db2.gz GIXXXILCHDZLEQ-UHFFFAOYSA-N 0 0 451.304 4.736 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC001442370720 1066120932 /nfs/dbraw/zinc/12/09/32/1066120932.db2.gz CIOCKWHDDJJIRH-WOJBJXKFSA-N 0 0 450.608 4.834 20 0 JJADRN C[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)Oc1ccccc1Cl ZINC001360962056 1066121674 /nfs/dbraw/zinc/12/16/74/1066121674.db2.gz SQJSXEZZZRGNNT-CQSZACIVSA-N 0 0 456.930 4.986 20 0 JJADRN C[C@H](CNC(=O)c1cc(Cl)ccc1I)Oc1ccccc1Cl ZINC001360962163 1066121720 /nfs/dbraw/zinc/12/17/20/1066121720.db2.gz VIXMWIHYCUMKNU-SNVBAGLBSA-N 0 0 450.103 4.795 20 0 JJADRN Cc1c(Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cnn1CC(C)C ZINC001360962392 1066121739 /nfs/dbraw/zinc/12/17/39/1066121739.db2.gz CIGJXHLUTHBMIC-HXUWFJFHSA-N 0 0 475.641 4.656 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360962566 1066122309 /nfs/dbraw/zinc/12/23/09/1066122309.db2.gz KICSHAMJDKLZQY-UHFFFAOYSA-N 0 0 457.962 4.605 20 0 JJADRN O=C(c1nscc1I)N(Cc1ccccc1)Cc1ccccc1F ZINC001442389124 1066122515 /nfs/dbraw/zinc/12/25/15/1066122515.db2.gz AADXTEUYXODYRN-UHFFFAOYSA-N 0 0 452.292 4.729 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC001442386993 1066122542 /nfs/dbraw/zinc/12/25/42/1066122542.db2.gz OGNBPWOHNZXRIO-OALUTQOASA-N 0 0 450.526 4.961 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360964112 1066123293 /nfs/dbraw/zinc/12/32/93/1066123293.db2.gz NBKGZMYUIVAPSH-IQGLISFBSA-N 0 0 452.501 4.776 20 0 JJADRN CC(=O)N1C[C@@H](C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)Oc2ccccc21 ZINC001360965094 1066123970 /nfs/dbraw/zinc/12/39/70/1066123970.db2.gz IDCJXLALSYNKEX-DEOSSOPVSA-N 0 0 450.535 4.765 20 0 JJADRN CCC[C@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001442397746 1066124153 /nfs/dbraw/zinc/12/41/53/1066124153.db2.gz RGIVYMNBNODYMG-YQVWRLOYSA-N 0 0 450.284 4.762 20 0 JJADRN Cc1ccsc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001360967348 1066124439 /nfs/dbraw/zinc/12/44/39/1066124439.db2.gz MSPPEHSLLUYBDP-KRWDZBQOSA-N 0 0 461.429 4.989 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360967226 1066124469 /nfs/dbraw/zinc/12/44/69/1066124469.db2.gz DQWGNQJEBIUHHQ-VGOFRKELSA-N 0 0 453.583 4.585 20 0 JJADRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc2s1 ZINC001442401209 1066124648 /nfs/dbraw/zinc/12/46/48/1066124648.db2.gz JGNQYTUHQMCVLV-LRDDRELGSA-N 0 0 450.561 4.743 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc2[nH]c(=NC(=O)OCC)sc2c1 ZINC001442401184 1066124686 /nfs/dbraw/zinc/12/46/86/1066124686.db2.gz IZRRWIUSAQPVOO-UVMHCMFPSA-N 0 0 474.583 4.862 20 0 JJADRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(=NC(=O)OCC)sc2c1 ZINC001442401378 1066124749 /nfs/dbraw/zinc/12/47/49/1066124749.db2.gz LCPJRKQHSGOXPY-NRFANRHFSA-N 0 0 450.561 4.887 20 0 JJADRN Cc1c(Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)cnn1CC(C)C ZINC001360967600 1066125031 /nfs/dbraw/zinc/12/50/31/1066125031.db2.gz OUXYVAHUAJTCCH-UHFFFAOYSA-N 0 0 457.022 4.923 20 0 JJADRN CC(C)OCc1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001442403407 1066125096 /nfs/dbraw/zinc/12/50/96/1066125096.db2.gz BJXXSZWKSXINPH-AIIPKAINSA-N 0 0 454.998 4.976 20 0 JJADRN Cc1ccnc(Oc2ccc(C(=O)N3CCN(Cc4csc(C(C)(C)C)n4)CC3)cc2)c1 ZINC001442402341 1066125117 /nfs/dbraw/zinc/12/51/17/1066125117.db2.gz MBNZPQYGUBNJAH-UHFFFAOYSA-N 0 0 450.608 4.894 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001360968783 1066125981 /nfs/dbraw/zinc/12/59/81/1066125981.db2.gz FYMFPBCCHYLSMU-FOIQADDNSA-N 0 0 458.605 4.657 20 0 JJADRN COc1ccc(Sc2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2Cl)cc1 ZINC001442414428 1066126249 /nfs/dbraw/zinc/12/62/49/1066126249.db2.gz NKTASJGXKOHDHI-UHFFFAOYSA-N 0 0 451.939 4.792 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001442436492 1066126787 /nfs/dbraw/zinc/12/67/87/1066126787.db2.gz ULFDDKNIIYBHTF-HXUWFJFHSA-N 0 0 456.514 4.548 20 0 JJADRN Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c2cc(Br)ccc2n1 ZINC001442436322 1066126828 /nfs/dbraw/zinc/12/68/28/1066126828.db2.gz SIRFUZQFPKEFPK-UHFFFAOYSA-N 0 0 453.262 4.561 20 0 JJADRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001442420607 1066126885 /nfs/dbraw/zinc/12/68/85/1066126885.db2.gz XUZLTOVUIMNILA-RXVVDRJESA-N 0 0 459.562 4.813 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)cnn1C ZINC001360971939 1066128119 /nfs/dbraw/zinc/12/81/19/1066128119.db2.gz KKBLDAYEAAJGIY-SFHVURJKSA-N 0 0 455.676 4.921 20 0 JJADRN Cc1ccoc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001360972172 1066128145 /nfs/dbraw/zinc/12/81/45/1066128145.db2.gz PSTGXGIBVSGMDQ-INIZCTEOSA-N 0 0 450.509 4.873 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)cnn1CC(C)C ZINC001360972258 1066128468 /nfs/dbraw/zinc/12/84/68/1066128468.db2.gz SHLLKJPSVKCBFA-DEOSSOPVSA-N 0 0 464.658 4.524 20 0 JJADRN Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2CCS[C@H](C(C)C)C2)cnn1CC(C)C ZINC001360973057 1066129701 /nfs/dbraw/zinc/12/97/01/1066129701.db2.gz VPTZWHACKJKZSS-QHCPKHFHSA-N 0 0 488.652 4.934 20 0 JJADRN Cc1ccsc1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360973062 1066129734 /nfs/dbraw/zinc/12/97/34/1066129734.db2.gz VUCWLVBJFMPQCT-UHFFFAOYSA-N 0 0 462.957 4.589 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001360973088 1066129743 /nfs/dbraw/zinc/12/97/43/1066129743.db2.gz WYAQERPBAKHEFJ-UHFFFAOYSA-N 0 0 472.058 4.682 20 0 JJADRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001442474733 1066129683 /nfs/dbraw/zinc/12/96/83/1066129683.db2.gz LYLQSRWUCNNEJH-GAJHUEQPSA-N 0 0 456.558 4.737 20 0 JJADRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1 ZINC001442473422 1066129754 /nfs/dbraw/zinc/12/97/54/1066129754.db2.gz JKEHUMCTFOGCEW-DEOSSOPVSA-N 0 0 458.537 4.684 20 0 JJADRN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC001442473453 1066129785 /nfs/dbraw/zinc/12/97/85/1066129785.db2.gz XKUCZHDZZYYHDB-HNNXBMFYSA-N 0 0 456.439 4.730 20 0 JJADRN Cc1c(Cn2c(CCCc3ccccc3)nnc2N2C[C@H](C)S[C@@H](C)C2)cnn1CC(C)C ZINC001360973272 1066130186 /nfs/dbraw/zinc/13/01/86/1066130186.db2.gz DEWHVZKPEALEDK-SFTDATJTSA-N 0 0 466.699 4.993 20 0 JJADRN Cc1c(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)cnn1CC(C)C ZINC001360973957 1066130658 /nfs/dbraw/zinc/13/06/58/1066130658.db2.gz JURAJVPTNMEFJH-LJQANCHMSA-N 0 0 479.579 4.949 20 0 JJADRN Cc1ccc2nc(CSCC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cn2c1 ZINC001442480546 1066130892 /nfs/dbraw/zinc/13/08/92/1066130892.db2.gz VGHNJYIOYJBJRC-UHFFFAOYSA-N 0 0 450.608 4.711 20 0 JJADRN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)c1 ZINC001442479542 1066130914 /nfs/dbraw/zinc/13/09/14/1066130914.db2.gz YEZNFFHUMIUYHK-UHFFFAOYSA-N 0 0 454.523 4.810 20 0 JJADRN Cc1c(Cn2c(Cc3ccsc3)nnc2N(C)C[C@H](C)c2nccs2)cnn1CC(C)C ZINC001360974540 1066131152 /nfs/dbraw/zinc/13/11/52/1066131152.db2.gz YZQRDZMGUBPKPM-KRWDZBQOSA-N 0 0 469.684 4.836 20 0 JJADRN CC1CCC2(CC1)NC(=O)N(CC(=O)Oc1cccc(-c3nc(C(C)(C)C)cs3)c1)C2=O ZINC001360975853 1066131662 /nfs/dbraw/zinc/13/16/62/1066131662.db2.gz JTGNBYLVTCPKBJ-UHFFFAOYSA-N 0 0 455.580 4.514 20 0 JJADRN COc1ccc(CC[C@@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)cc1 ZINC001442507541 1066131948 /nfs/dbraw/zinc/13/19/48/1066131948.db2.gz LPWUMFJEGFUZJN-OAHLLOKOSA-N 0 0 454.473 4.682 20 0 JJADRN CN(CC(=O)NC(c1cccs1)c1cccs1)C(=O)c1ccc(Br)s1 ZINC001360976367 1066132148 /nfs/dbraw/zinc/13/21/48/1066132148.db2.gz WNDWAKTXGIIVOG-UHFFFAOYSA-N 0 0 455.424 4.611 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(Br)cn3C(C)C)ccc21 ZINC001442523626 1066132517 /nfs/dbraw/zinc/13/25/17/1066132517.db2.gz APLOSCPQRWALAH-UHFFFAOYSA-N 0 0 459.388 4.907 20 0 JJADRN Cc1ccoc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360976784 1066132672 /nfs/dbraw/zinc/13/26/72/1066132672.db2.gz TXAQDFAKRUDKBB-INIZCTEOSA-N 0 0 453.543 4.556 20 0 JJADRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001442527639 1066132968 /nfs/dbraw/zinc/13/29/68/1066132968.db2.gz KBMXBHCUULWILC-AOMKIAJQSA-N 0 0 455.352 4.943 20 0 JJADRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001442527677 1066132989 /nfs/dbraw/zinc/13/29/89/1066132989.db2.gz KBMXBHCUULWILC-OPAMFIHVSA-N 0 0 455.352 4.943 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001442527185 1066133042 /nfs/dbraw/zinc/13/30/42/1066133042.db2.gz JFKQWCRCEAFKTF-BKMJKUGQSA-N 0 0 456.586 4.704 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360977048 1066133664 /nfs/dbraw/zinc/13/36/64/1066133664.db2.gz CMEWXFHWDMXEQI-KRWDZBQOSA-N 0 0 472.920 4.696 20 0 JJADRN Cc1c(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)cnn1CC(C)C ZINC001360977288 1066134659 /nfs/dbraw/zinc/13/46/59/1066134659.db2.gz LJCWUZLIYXFXCA-UHFFFAOYSA-N 0 0 493.439 4.600 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1 ZINC001442548873 1066135822 /nfs/dbraw/zinc/13/58/22/1066135822.db2.gz QEADNYABSOYLTM-QZTJIDSGSA-N 0 0 455.368 4.982 20 0 JJADRN CCc1noc2ncc(C(=O)N[C@@H](c3ccccc3Cl)c3ccc(OC)cc3OC)cc12 ZINC001360977976 1066135805 /nfs/dbraw/zinc/13/58/05/1066135805.db2.gz IMJZGABPVHPZBO-QFIPXVFZSA-N 0 0 451.910 4.975 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001442552878 1066137370 /nfs/dbraw/zinc/13/73/70/1066137370.db2.gz ZGEMUIKOLSWFAH-LEWJYISDSA-N 0 0 458.990 4.920 20 0 JJADRN Cc1ccsc1Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360979363 1066137556 /nfs/dbraw/zinc/13/75/56/1066137556.db2.gz MZXSCMAGYKLKPI-NRFANRHFSA-N 0 0 472.577 4.906 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC001360979329 1066137676 /nfs/dbraw/zinc/13/76/76/1066137676.db2.gz INAMIZZSVXMDHU-UHFFFAOYSA-N 0 0 454.876 4.944 20 0 JJADRN Cc1cccc(NC(=O)c2cc(C(=O)c3ccccc3)c[nH]2)c1C(=O)NCCc1ccccc1 ZINC001442555993 1066137855 /nfs/dbraw/zinc/13/78/55/1066137855.db2.gz YPRSBLWKRBTTQW-UHFFFAOYSA-N 0 0 451.526 4.779 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360980564 1066138605 /nfs/dbraw/zinc/13/86/05/1066138605.db2.gz ALXVFGCBLZEKBN-FQEVSTJZSA-N 0 0 483.016 4.844 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001360980653 1066138651 /nfs/dbraw/zinc/13/86/51/1066138651.db2.gz DPOWDKLYNJGDNX-IBGZPJMESA-N 0 0 483.060 4.672 20 0 JJADRN CCOc1ccc([C@]2(C(=O)NC3(c4cccc(F)c4)CCOCC3)CC2(Cl)Cl)cc1 ZINC001360980886 1066139074 /nfs/dbraw/zinc/13/90/74/1066139074.db2.gz DKWSINLTQHQCQV-QFIPXVFZSA-N 0 0 452.353 4.862 20 0 JJADRN Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1Cc1cccc(Cl)c1C ZINC001360980984 1066139089 /nfs/dbraw/zinc/13/90/89/1066139089.db2.gz INAGINIUNLCSGD-KRWDZBQOSA-N 0 0 459.381 4.500 20 0 JJADRN CC(=O)Nc1cc(F)ccc1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001442570002 1066139547 /nfs/dbraw/zinc/13/95/47/1066139547.db2.gz JRCVJODGUKTDES-UHFFFAOYSA-N 0 0 451.885 4.779 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001360981124 1066139592 /nfs/dbraw/zinc/13/95/92/1066139592.db2.gz IETWRYINDKVSSS-HXUWFJFHSA-N 0 0 454.571 4.848 20 0 JJADRN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001360981553 1066139999 /nfs/dbraw/zinc/13/99/99/1066139999.db2.gz PRXUJUACDFTAEN-RXVVDRJESA-N 0 0 451.567 4.568 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)c2ccc(Br)s2)cc1 ZINC001360981401 1066140022 /nfs/dbraw/zinc/14/00/22/1066140022.db2.gz NJNZDBFONUAOQI-LLVKDONJSA-N 0 0 453.358 4.918 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c1I ZINC001442576745 1066140229 /nfs/dbraw/zinc/14/02/29/1066140229.db2.gz YULAYTUNFLOBKN-BLLLJJGKSA-N 0 0 453.324 4.670 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)NC1(c2cccc(F)c2)CCOCC1 ZINC001360981816 1066140630 /nfs/dbraw/zinc/14/06/30/1066140630.db2.gz WIGIYHNLXCLASE-UHFFFAOYSA-N 0 0 450.348 4.959 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC001442585618 1066140766 /nfs/dbraw/zinc/14/07/66/1066140766.db2.gz FUUWPTAONSREKH-GOSISDBHSA-N 0 0 451.449 4.970 20 0 JJADRN COCCOc1c(Cl)cccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC001442580118 1066140819 /nfs/dbraw/zinc/14/08/19/1066140819.db2.gz ZGESVPMDQSCLRQ-CYBMUJFWSA-N 0 0 457.741 4.664 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360982101 1066141202 /nfs/dbraw/zinc/14/12/02/1066141202.db2.gz AKVPYQPPCISFEQ-OZOXKJRCSA-N 0 0 490.048 4.532 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC001442588143 1066141349 /nfs/dbraw/zinc/14/13/49/1066141349.db2.gz BAGYSDJDEMJNHJ-UHFFFAOYSA-N 0 0 450.583 4.786 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360982215 1066141503 /nfs/dbraw/zinc/14/15/03/1066141503.db2.gz DSJFMFHWZYBRGS-DENIHFKCSA-N 0 0 488.076 4.559 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360982461 1066142169 /nfs/dbraw/zinc/14/21/69/1066142169.db2.gz MBBDQMHPJFIJRS-LJQANCHMSA-N 0 0 471.955 4.604 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001360982543 1066142179 /nfs/dbraw/zinc/14/21/79/1066142179.db2.gz OGURUACOOHAHEL-QFIPXVFZSA-N 0 0 468.976 4.810 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545950180 1066142258 /nfs/dbraw/zinc/14/22/58/1066142258.db2.gz MEJZMFHRAJERNM-GOSISDBHSA-N 0 0 494.681 4.588 20 0 JJADRN CCOC(=O)N1CCCN(C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC001442595521 1066142271 /nfs/dbraw/zinc/14/22/71/1066142271.db2.gz GHQFJXKRWKYOGC-FQEVSTJZSA-N 0 0 451.350 4.804 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(F)(F)F ZINC001360982647 1066142732 /nfs/dbraw/zinc/14/27/32/1066142732.db2.gz QPIBYVZOVBTRLM-UHFFFAOYSA-N 0 0 471.936 4.668 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001360982790 1066142846 /nfs/dbraw/zinc/14/28/46/1066142846.db2.gz VKDXBZFTZMAQIM-IAGOWNOFSA-N 0 0 496.015 4.541 20 0 JJADRN CCOC(=O)[C@@H](CC(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(C)c1)C(C)=O ZINC001442606053 1066143938 /nfs/dbraw/zinc/14/39/38/1066143938.db2.gz GGHMUNYTLVJMTP-KRWDZBQOSA-N 0 0 452.334 4.869 20 0 JJADRN Cc1c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)nnn1-c1ccccc1Br ZINC001442606063 1066143994 /nfs/dbraw/zinc/14/39/94/1066143994.db2.gz CQJZFVZDPYFASG-UHFFFAOYSA-N 0 0 453.344 4.764 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC001442605783 1066144025 /nfs/dbraw/zinc/14/40/25/1066144025.db2.gz CGOHJSHCQHTGJS-INIZCTEOSA-N 0 0 455.484 4.728 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CCC(c3ccnn3C)CC2)nnc1C(C)(C)C ZINC001360983828 1066144167 /nfs/dbraw/zinc/14/41/67/1066144167.db2.gz IZIRQNCJHYTQNL-UHFFFAOYSA-N 0 0 484.048 4.684 20 0 JJADRN C[C@H](Cc1cccc(Br)c1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001442607130 1066144284 /nfs/dbraw/zinc/14/42/84/1066144284.db2.gz FLNRGASQFAIPLV-GXPOEHQZSA-N 0 0 453.336 4.560 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545950413 1066144320 /nfs/dbraw/zinc/14/43/20/1066144320.db2.gz PQUHUURUYHFQRT-VQIMIIECSA-N 0 0 499.553 4.683 20 0 JJADRN Cc1cc(Br)cc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC001442612000 1066144956 /nfs/dbraw/zinc/14/49/56/1066144956.db2.gz IPSMCTZPRVONHP-UHFFFAOYSA-N 0 0 450.764 4.791 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(CNc2ccnc(C)n2)c1 ZINC001442609889 1066144962 /nfs/dbraw/zinc/14/49/62/1066144962.db2.gz OOXZWDCTOBDLDA-LJQANCHMSA-N 0 0 457.578 4.972 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360984212 1066145206 /nfs/dbraw/zinc/14/52/06/1066145206.db2.gz PDEWAFUOOMUAOP-UHFFFAOYSA-N 0 0 499.965 4.914 20 0 JJADRN CC(C)(C)c1nc2cc(NC(=O)c3ccc(NCCN4CCOCC4)c(Cl)c3)ccc2[nH]1 ZINC001442619218 1066145735 /nfs/dbraw/zinc/14/57/35/1066145735.db2.gz YYYCUMKSNKTSOD-UHFFFAOYSA-N 0 0 455.990 4.510 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001360984478 1066146257 /nfs/dbraw/zinc/14/62/57/1066146257.db2.gz XZYPUEBJFXGUBI-UHFFFAOYSA-N 0 0 476.065 4.846 20 0 JJADRN CCN(C[C@H]1CCCO1)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC001442653705 1066146831 /nfs/dbraw/zinc/14/68/31/1066146831.db2.gz HBXSESFJKQFNBI-CLOONOSVSA-N 0 0 450.579 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC001442642962 1066146950 /nfs/dbraw/zinc/14/69/50/1066146950.db2.gz AVIBCKCBUHTABM-JWQCQUIFSA-N 0 0 466.622 4.825 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cccnc2)n1CCc1ccc(Cl)s1 ZINC001360985465 1066147273 /nfs/dbraw/zinc/14/72/73/1066147273.db2.gz BJIXRUHNQOPKHL-UHFFFAOYSA-N 0 0 481.025 4.989 20 0 JJADRN CCN(C[C@@H]1CCCO1)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC001442653739 1066147459 /nfs/dbraw/zinc/14/74/59/1066147459.db2.gz HBXSESFJKQFNBI-DFBJGRDBSA-N 0 0 450.579 4.577 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)C1 ZINC001442655591 1066147587 /nfs/dbraw/zinc/14/75/87/1066147587.db2.gz BXECSJJOICOPCI-MJGOQNOKSA-N 0 0 451.449 4.870 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360985570 1066147761 /nfs/dbraw/zinc/14/77/61/1066147761.db2.gz FRNGMVNTSSUIEP-SFHVURJKSA-N 0 0 466.630 4.967 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCSCC(F)(F)F ZINC001360985566 1066147855 /nfs/dbraw/zinc/14/78/55/1066147855.db2.gz FQCDEASJAUPBLX-KRWDZBQOSA-N 0 0 485.576 4.507 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001360985624 1066148411 /nfs/dbraw/zinc/14/84/11/1066148411.db2.gz HFOAAAHJMODDHU-UHFFFAOYSA-N 0 0 492.590 4.512 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1Cc1nc(C2CC2)cs1 ZINC001360985800 1066148988 /nfs/dbraw/zinc/14/89/88/1066148988.db2.gz LYQHVEJXTWLWLM-UHFFFAOYSA-N 0 0 466.655 4.941 20 0 JJADRN C[C@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(Br)cc1 ZINC001442665253 1066149413 /nfs/dbraw/zinc/14/94/13/1066149413.db2.gz HZJCPOUWLZXQSD-SCLBCKFNSA-N 0 0 453.174 4.915 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001360986238 1066150170 /nfs/dbraw/zinc/15/01/70/1066150170.db2.gz YGSFAJGSYBVTHG-ZJSXRUAMSA-N 0 0 453.631 4.689 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)nnn1-c1cccc(C(C)C)c1 ZINC001442671671 1066150668 /nfs/dbraw/zinc/15/06/68/1066150668.db2.gz RBAVISJFRAKIQC-PZJWPPBQSA-N 0 0 453.631 4.500 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 ZINC001360986305 1066150815 /nfs/dbraw/zinc/15/08/15/1066150815.db2.gz AHEALPPDTNEWFH-PZJWPPBQSA-N 0 0 487.048 4.756 20 0 JJADRN Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)c(C)c2)s1 ZINC001442682245 1066151281 /nfs/dbraw/zinc/15/12/81/1066151281.db2.gz TVDWZOBTVGMGLI-KRWDZBQOSA-N 0 0 458.996 4.951 20 0 JJADRN Cc1noc(C)c1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986331 1066151390 /nfs/dbraw/zinc/15/13/90/1066151390.db2.gz AXEFTNWAFXHSMV-QUCCMNQESA-N 0 0 474.005 4.761 20 0 JJADRN NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC001442691805 1066151982 /nfs/dbraw/zinc/15/19/82/1066151982.db2.gz ICTSXVQCMHMUDY-UHFFFAOYSA-N 0 0 451.331 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC001442700365 1066152591 /nfs/dbraw/zinc/15/25/91/1066152591.db2.gz YPMGMFBVVYLGIG-GNBUJSLZSA-N 0 0 452.517 4.961 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C2 ZINC001442699870 1066152603 /nfs/dbraw/zinc/15/26/03/1066152603.db2.gz BMLWUDQTHQQVCE-UHFFFAOYSA-N 0 0 450.457 4.999 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H]2CCCOC2)n1CC1=CCCOC1 ZINC001360986547 1066152674 /nfs/dbraw/zinc/15/26/74/1066152674.db2.gz GGJCLWLJKAOWFD-VQTJNVASSA-N 0 0 475.033 4.898 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CCN(c3ccccc3Br)C1=O)C2 ZINC001442703763 1066153098 /nfs/dbraw/zinc/15/30/98/1066153098.db2.gz NPDHNBOQXQJGJF-LJQANCHMSA-N 0 0 455.396 4.684 20 0 JJADRN COC(=O)c1sccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC001442708039 1066153157 /nfs/dbraw/zinc/15/31/57/1066153157.db2.gz QPLSUCZOZZJPOY-UHFFFAOYSA-N 0 0 454.935 4.920 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1CC[C@H](C)C1 ZINC001360986615 1066153243 /nfs/dbraw/zinc/15/32/43/1066153243.db2.gz IMHHXTZVOQUSGN-YGWPLHOASA-N 0 0 497.105 4.994 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cccs2)n1C[C@]1(C)CN(C)C1=O ZINC001360986633 1066153291 /nfs/dbraw/zinc/15/32/91/1066153291.db2.gz ISJOSRSKOMAIMI-XDHUDOTRSA-N 0 0 488.057 4.865 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC(F)(F)F)n1CCCn1cccn1 ZINC001360986597 1066153315 /nfs/dbraw/zinc/15/33/15/1066153315.db2.gz HVGBYYIKGVZYLH-INIZCTEOSA-N 0 0 470.927 4.974 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H]2CCSC2)n1CCCC(=O)NC1CC1 ZINC001360986667 1066153709 /nfs/dbraw/zinc/15/37/09/1066153709.db2.gz JNOHEVKYOZQMCA-PXNSSMCTSA-N 0 0 492.089 4.689 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711006 1066154179 /nfs/dbraw/zinc/15/41/79/1066154179.db2.gz TZLBSGKYQWZWNV-DFBJGRDBSA-N 0 0 459.594 4.829 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1(C)CCC1 ZINC001360986773 1066154604 /nfs/dbraw/zinc/15/46/04/1066154604.db2.gz LSNWPDDZSXKPQO-MSOLQXFVSA-N 0 0 483.078 4.748 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCc1ccsc1 ZINC001360986751 1066154615 /nfs/dbraw/zinc/15/46/15/1066154615.db2.gz LEADVHCEBGLILX-IRXDYDNUSA-N 0 0 476.046 4.693 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccccn2)n1C[C@@]1(O)CCSC1 ZINC001360986770 1066154626 /nfs/dbraw/zinc/15/46/26/1066154626.db2.gz LOGIKTDFQCKDRO-KOSHJBKYSA-N 0 0 488.057 4.588 20 0 JJADRN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001442711120 1066154780 /nfs/dbraw/zinc/15/47/80/1066154780.db2.gz WACJDCDJRDSADY-UHFFFAOYSA-N 0 0 456.271 4.845 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC001442715039 1066154801 /nfs/dbraw/zinc/15/48/01/1066154801.db2.gz AVWDVEXSMWKPRM-JTQLQIEISA-N 0 0 455.234 4.659 20 0 JJADRN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001442719815 1066155272 /nfs/dbraw/zinc/15/52/72/1066155272.db2.gz HBOSQDWXIXNJHY-HXUWFJFHSA-N 0 0 454.368 4.516 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1CCCC1CCOCC1 ZINC001360986869 1066155562 /nfs/dbraw/zinc/15/55/62/1066155562.db2.gz OAILCIXJUBIALT-UHFFFAOYSA-N 0 0 481.666 4.829 20 0 JJADRN O=C(CNS(=O)(=O)c1cccc(F)c1)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442724683 1066155755 /nfs/dbraw/zinc/15/57/55/1066155755.db2.gz VWMXGABBLYFXDE-UHFFFAOYSA-N 0 0 450.944 4.547 20 0 JJADRN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCCCC[C@@H]1c1ccccc1 ZINC001442748488 1066156885 /nfs/dbraw/zinc/15/68/85/1066156885.db2.gz WOQKNFMPGHQZCG-HSZRJFAPSA-N 0 0 454.617 4.984 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC001442760043 1066157568 /nfs/dbraw/zinc/15/75/68/1066157568.db2.gz RQKHTZVVPIHAEZ-UHFFFAOYSA-N 0 0 453.539 4.689 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(C(=O)Cc3c(C)cc(C)c(Br)c3C)CC2)c1 ZINC001442761551 1066157823 /nfs/dbraw/zinc/15/78/23/1066157823.db2.gz WLJCUDMSKIYKAQ-UHFFFAOYSA-N 0 0 458.400 4.602 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)cc2)cc1 ZINC001442760655 1066157893 /nfs/dbraw/zinc/15/78/93/1066157893.db2.gz GWEPXMZECDAQHO-QRRVGDGBSA-N 0 0 450.535 4.846 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccon2)n1C[C@H]1CC(F)(F)CO1 ZINC001360987277 1066158086 /nfs/dbraw/zinc/15/80/86/1066158086.db2.gz WZNRYDMUSLYRKQ-CRAIPNDOSA-N 0 0 481.931 4.737 20 0 JJADRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001442762603 1066158273 /nfs/dbraw/zinc/15/82/73/1066158273.db2.gz VCRZBTWGCFVMNM-UHFFFAOYSA-N 0 0 453.340 4.709 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC2CCC2)n1CC1CCS(=O)(=O)CC1 ZINC001360987441 1066158342 /nfs/dbraw/zinc/15/83/42/1066158342.db2.gz YBSZRGAKQHIJHT-GOSISDBHSA-N 0 0 495.089 4.749 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H]1CCC=CO1 ZINC001360987515 1066158781 /nfs/dbraw/zinc/15/87/81/1066158781.db2.gz ZQAQUXYLOPLFQB-DYXWJJEUSA-N 0 0 461.006 4.854 20 0 JJADRN COc1cccc(COC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1OC(F)F ZINC001360988786 1066159069 /nfs/dbraw/zinc/15/90/69/1066159069.db2.gz POVFEMJIMPJVAK-UHFFFAOYSA-N 0 0 456.367 4.917 20 0 JJADRN CN(C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360989036 1066159475 /nfs/dbraw/zinc/15/94/75/1066159475.db2.gz XDHFFADJCSCNNQ-HXUWFJFHSA-N 0 0 459.949 4.731 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCC[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001360989191 1066159769 /nfs/dbraw/zinc/15/97/69/1066159769.db2.gz AOTYGBBJILKCLS-APWZRJJASA-N 0 0 462.038 4.793 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCCO1 ZINC001360989218 1066159795 /nfs/dbraw/zinc/15/97/95/1066159795.db2.gz AVHWOLACHGKXMH-HDAAZOAOSA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)OC2CCCC2)n1CCCN1CCOC1=O ZINC001360989216 1066159815 /nfs/dbraw/zinc/15/98/15/1066159815.db2.gz AUROTRQRSIQVLJ-SFHVURJKSA-N 0 0 492.020 4.841 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCc2cccs2)n1CCC(=O)N(C)C ZINC001360989356 1066160671 /nfs/dbraw/zinc/16/06/71/1066160671.db2.gz CZQLFVPWISUTTB-SFHVURJKSA-N 0 0 490.073 4.907 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@]1(C)CCCS1 ZINC001360989350 1066160674 /nfs/dbraw/zinc/16/06/74/1066160674.db2.gz CUZGFQHNHDXNAH-MZNJEOGPSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCOCCCO ZINC001360989347 1066160698 /nfs/dbraw/zinc/16/06/98/1066160698.db2.gz CUDIVTCCPUYGOQ-NSISKUIASA-N 0 0 465.038 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CCC1(O)CCOCC1 ZINC001360989390 1066161226 /nfs/dbraw/zinc/16/12/26/1066161226.db2.gz DJFGFMRGWMAPIZ-ZCNNSNEGSA-N 0 0 477.049 4.712 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CC(C)C ZINC001360989481 1066161431 /nfs/dbraw/zinc/16/14/31/1066161431.db2.gz FUNHTHXQZOBKSN-RTWAWAEBSA-N 0 0 476.065 4.503 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@@]1(C)COCCO1 ZINC001360989519 1066161951 /nfs/dbraw/zinc/16/19/51/1066161951.db2.gz GNZAYDGNJUGLMO-RGKFVRLKSA-N 0 0 495.089 4.824 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1C[C@](C)(O)C(C)C ZINC001360989569 1066162146 /nfs/dbraw/zinc/16/21/46/1066162146.db2.gz HJKRKISBINHAHC-FUSMBFRDSA-N 0 0 491.076 4.958 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1=CCCCC1 ZINC001360989643 1066162489 /nfs/dbraw/zinc/16/24/89/1066162489.db2.gz IHKLOPOMYFWPNR-MOPGFXCFSA-N 0 0 472.033 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)(F)F)n1CC[C@H]1COCCO1 ZINC001360989600 1066162544 /nfs/dbraw/zinc/16/25/44/1066162544.db2.gz HQQCRQPMOLPGSG-WMZOPIPTSA-N 0 0 490.954 4.882 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1=CCCCC1 ZINC001360989645 1066162812 /nfs/dbraw/zinc/16/28/12/1066162812.db2.gz IHKLOPOMYFWPNR-RBUKOAKNSA-N 0 0 472.033 4.856 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(CCC(C)C)C2CC2)n1C[C@]1(O)CCOC1 ZINC001360989680 1066162846 /nfs/dbraw/zinc/16/28/46/1066162846.db2.gz JAWZWEZFHHMUEM-UQBPGWFLSA-N 0 0 477.049 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCSCCCO ZINC001360989757 1066163531 /nfs/dbraw/zinc/16/35/31/1066163531.db2.gz KIZLQTRCOCTIQW-OALUTQOASA-N 0 0 497.105 4.808 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC(=O)NCC(F)F ZINC001360989745 1066163536 /nfs/dbraw/zinc/16/35/36/1066163536.db2.gz KGMFYEHQRJCIAC-RRQGHBQHSA-N 0 0 483.991 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCc1ccsc1 ZINC001360989939 1066164581 /nfs/dbraw/zinc/16/45/81/1066164581.db2.gz NKYXTVGZBYSCGH-OSPHWJPCSA-N 0 0 488.057 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]3CCC[C@@H]32)n1CCC(=O)N(C)C ZINC001360989962 1066164606 /nfs/dbraw/zinc/16/46/06/1066164606.db2.gz NUAMJYDFORPISM-SBHAEUEKSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]3CCC[C@H]32)n1CCC(=O)N(C)C ZINC001360989963 1066164953 /nfs/dbraw/zinc/16/49/53/1066164953.db2.gz NUAMJYDFORPISM-SFHLNBCPSA-N 0 0 474.049 4.936 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H]1CCCCS1 ZINC001360990003 1066164961 /nfs/dbraw/zinc/16/49/61/1066164961.db2.gz OMVBKTFZBXFWOG-YIGJPRQDSA-N 0 0 492.089 4.676 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(=O)NCC1CC1 ZINC001360990103 1066165598 /nfs/dbraw/zinc/16/55/98/1066165598.db2.gz PWWUFSQZCWJVFX-AEFFLSMTSA-N 0 0 496.002 4.696 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCCCCO ZINC001360990074 1066165705 /nfs/dbraw/zinc/16/57/05/1066165705.db2.gz POOAEPUWOBDZFX-WOJBJXKFSA-N 0 0 487.048 4.578 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001360990248 1066166471 /nfs/dbraw/zinc/16/64/71/1066166471.db2.gz RSEFFADDSQCSCW-RPEHKJCYSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360990208 1066166538 /nfs/dbraw/zinc/16/65/38/1066166538.db2.gz RAYYNOUFTLDWDZ-KVPLUYHFSA-N 0 0 499.002 4.710 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360990250 1066166574 /nfs/dbraw/zinc/16/65/74/1066166574.db2.gz RSEFFADDSQCSCW-UCABYURWSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(F)F)n1C[C@@]1(O)CCSC1 ZINC001360990281 1066167004 /nfs/dbraw/zinc/16/70/04/1066167004.db2.gz RYXTWNQQRKQJSE-VFNWGFHPSA-N 0 0 475.005 4.648 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(F)F)n1C[C@@]1(O)CCSC1 ZINC001360990279 1066167064 /nfs/dbraw/zinc/16/70/64/1066167064.db2.gz RYXTWNQQRKQJSE-BTYIYWSLSA-N 0 0 475.005 4.648 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1nncn1C ZINC001360990346 1066167544 /nfs/dbraw/zinc/16/75/44/1066167544.db2.gz UAJPFNPDLVZFNU-OAHLLOKOSA-N 0 0 497.953 4.644 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC(C)C ZINC001360990584 1066168247 /nfs/dbraw/zinc/16/82/47/1066168247.db2.gz XOUZLMBPMGQRPT-RTBURBONSA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CCSC(F)(F)F ZINC001360991890 1066170809 /nfs/dbraw/zinc/17/08/09/1066170809.db2.gz GPVMQMQHTVLFDG-AWEZNQCLSA-N 0 0 497.008 4.510 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ncn(C)n1 ZINC001360992268 1066171325 /nfs/dbraw/zinc/17/13/25/1066171325.db2.gz MGAQZKNYGNPCKQ-BBWFWOEESA-N 0 0 493.990 4.593 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCCCC1(F)F ZINC001360992206 1066171332 /nfs/dbraw/zinc/17/13/32/1066171332.db2.gz KSNGUQSDBQTEBK-QZTJIDSGSA-N 0 0 496.002 4.792 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC(=O)NC(C)C ZINC001360992762 1066172319 /nfs/dbraw/zinc/17/23/19/1066172319.db2.gz TWLQHRCGPDTDLS-RBUKOAKNSA-N 0 0 492.064 4.607 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1C[C@H]1CCOC[C@@H]1C ZINC001360993105 1066173069 /nfs/dbraw/zinc/17/30/69/1066173069.db2.gz YWLMRNPKWFIFNB-IPMKNSEASA-N 0 0 465.063 4.914 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1C[C@H]1CCOC[C@H]1C ZINC001360993104 1066173096 /nfs/dbraw/zinc/17/30/96/1066173096.db2.gz YWLMRNPKWFIFNB-GUDVDZBRSA-N 0 0 465.063 4.914 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)c(C)o1 ZINC001360994413 1066173630 /nfs/dbraw/zinc/17/36/30/1066173630.db2.gz KZJSXDAVQACBMG-FYYLOGMGSA-N 0 0 499.700 4.879 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCC3=CCCCC3)CC2)c(C)o1 ZINC001360995219 1066174249 /nfs/dbraw/zinc/17/42/49/1066174249.db2.gz RKIDHFLNAWFBJF-UHFFFAOYSA-N 0 0 453.631 4.976 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(F)(F)F)CC2)c(C)o1 ZINC001360995104 1066174307 /nfs/dbraw/zinc/17/43/07/1066174307.db2.gz MKUGIKWZFOBOSG-UHFFFAOYSA-N 0 0 499.896 4.909 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCc3cc(F)cc(F)c3)CC2)c(C)o1 ZINC001360995463 1066174533 /nfs/dbraw/zinc/17/45/33/1066174533.db2.gz XCTZQIYFYUUVGN-UHFFFAOYSA-N 0 0 499.606 4.996 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCC(C)C)CC2)no1 ZINC001360995440 1066174539 /nfs/dbraw/zinc/17/45/39/1066174539.db2.gz WIXQXVWFIJERIP-IBGZPJMESA-N 0 0 498.603 4.689 20 0 JJADRN CCCCN(C(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@@H](C)c1ccccc1 ZINC001360996564 1066175176 /nfs/dbraw/zinc/17/51/76/1066175176.db2.gz MUTHZLBVPAUQIE-KRWDZBQOSA-N 0 0 459.384 4.955 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@H](C(C)C)C2)c(C)o1 ZINC001360997086 1066175427 /nfs/dbraw/zinc/17/54/27/1066175427.db2.gz ACQCNZNRYZFAKQ-IDISGSTGSA-N 0 0 479.625 4.747 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)c(C)o1 ZINC001360997345 1066175983 /nfs/dbraw/zinc/17/59/83/1066175983.db2.gz GGONQEDVXFRQJR-QPPBQGQZSA-N 0 0 458.990 4.577 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCSC[C@H]2C)c(C)o1 ZINC001360997508 1066176124 /nfs/dbraw/zinc/17/61/24/1066176124.db2.gz IZPKSIBNHHKJPG-DMZKTXOQSA-N 0 0 464.994 4.797 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOCC2)c(C)o1 ZINC001360997862 1066176825 /nfs/dbraw/zinc/17/68/25/1066176825.db2.gz PIAJTIGNQMFXQJ-KBMIEXCESA-N 0 0 489.016 4.642 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS[C@H](C)[C@H]2C)c(C)o1 ZINC001360998216 1066177483 /nfs/dbraw/zinc/17/74/83/1066177483.db2.gz XEBMXSSOWRGGRB-PNIPZHNDSA-N 0 0 492.592 4.994 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)c(C)o1 ZINC001360999026 1066177987 /nfs/dbraw/zinc/17/79/87/1066177987.db2.gz ITQPDBPHSCLVEI-DEOSSOPVSA-N 0 0 457.525 4.646 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3ncccc3F)CC2)c(C)o1 ZINC001360999794 1066178161 /nfs/dbraw/zinc/17/81/61/1066178161.db2.gz ONBKCSDSFVFMJN-AREMUKBSSA-N 0 0 485.604 4.566 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H](C)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC001360999909 1066178420 /nfs/dbraw/zinc/17/84/20/1066178420.db2.gz TUCXHENEBJWROC-NGOKVRLYSA-N 0 0 455.558 4.649 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361000439 1066178611 /nfs/dbraw/zinc/17/86/11/1066178611.db2.gz ULMWLLVIRRHFPJ-BWKNWUBXSA-N 0 0 490.551 4.875 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCSC2)c(C)o1 ZINC001361000423 1066178613 /nfs/dbraw/zinc/17/86/13/1066178613.db2.gz UJGNNAOJESVVRS-AOMKIAJQSA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(C)C)c2)c(C)o1 ZINC001361000470 1066178811 /nfs/dbraw/zinc/17/88/11/1066178811.db2.gz UVTUVFHSBZRLEG-WXVAWEFUSA-N 0 0 482.625 4.713 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(Cl)nccc2C(F)(F)F)c(Br)cc1F ZINC001361001204 1066179071 /nfs/dbraw/zinc/17/90/71/1066179071.db2.gz LMUHFSZKIBZBCA-UHFFFAOYSA-N 0 0 455.589 4.694 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(C)o1 ZINC001361002170 1066179236 /nfs/dbraw/zinc/17/92/36/1066179236.db2.gz BGYHZDHVHPYUPQ-MRDQGFSESA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](OCC(C)C)C2)c(C)o1 ZINC001361002176 1066179259 /nfs/dbraw/zinc/17/92/59/1066179259.db2.gz BGYQGNOFEMWVGG-UFHPHHKVSA-N 0 0 496.652 4.843 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 ZINC001361002152 1066179289 /nfs/dbraw/zinc/17/92/89/1066179289.db2.gz BCJPSLKOEDYUPB-OWJWWREXSA-N 0 0 457.644 4.624 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)c(C)o1 ZINC001361002556 1066179543 /nfs/dbraw/zinc/17/95/43/1066179543.db2.gz FNWASBYTEZJZNA-NRFANRHFSA-N 0 0 482.437 4.651 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)c(C)o1 ZINC001361002557 1066179557 /nfs/dbraw/zinc/17/95/57/1066179557.db2.gz FNWASBYTEZJZNA-OAQYLSRUSA-N 0 0 482.437 4.651 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](CC(C)C)C2)c(C)o1 ZINC001361003107 1066180242 /nfs/dbraw/zinc/18/02/42/1066180242.db2.gz OLEZFMAXJFMBJW-FNZWTVRRSA-N 0 0 470.589 4.986 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC3CC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)c(C)o1 ZINC001361003055 1066180251 /nfs/dbraw/zinc/18/02/51/1066180251.db2.gz NGNFKSUCYDKKNR-DEOSSOPVSA-N 0 0 460.525 4.586 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3ccccn3)nnc2N(C)CCOc2ccccc2Cl)c(C)o1 ZINC001361003120 1066180440 /nfs/dbraw/zinc/18/04/40/1066180440.db2.gz ORTDXNISTPKJNM-SANMLTNESA-N 0 0 496.011 4.550 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)c(C)o1 ZINC001361003532 1066181145 /nfs/dbraw/zinc/18/11/45/1066181145.db2.gz WVSGAKQNNDRUPR-NVTAWBTOSA-N 0 0 491.057 4.958 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@H](C)[C@H]2C)c(C)o1 ZINC001361003531 1066181166 /nfs/dbraw/zinc/18/11/66/1066181166.db2.gz WVSGAKQNNDRUPR-BUKPSGGLSA-N 0 0 491.057 4.958 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)c(C)o1 ZINC001361003683 1066181428 /nfs/dbraw/zinc/18/14/28/1066181428.db2.gz ZCDNYKKEVYMABP-HSZRJFAPSA-N 0 0 495.407 4.508 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001361003883 1066181988 /nfs/dbraw/zinc/18/19/88/1066181988.db2.gz DKBCCEWGRIRKRW-HZPDHXFCSA-N 0 0 488.455 4.548 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001361003881 1066182028 /nfs/dbraw/zinc/18/20/28/1066182028.db2.gz DKBCCEWGRIRKRW-CVEARBPZSA-N 0 0 488.455 4.548 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(F)(F)C2)c1 ZINC001361004022 1066182503 /nfs/dbraw/zinc/18/25/03/1066182503.db2.gz GOOCSCNWISBNHB-CQSZACIVSA-N 0 0 450.331 4.993 20 0 JJADRN CCc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 ZINC001361005771 1066184126 /nfs/dbraw/zinc/18/41/26/1066184126.db2.gz BJYWXGUIMBLOCX-UHFFFAOYSA-N 0 0 454.324 4.811 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001361005518 1066184210 /nfs/dbraw/zinc/18/42/10/1066184210.db2.gz RXKROWLGJQCBOR-UHFFFAOYSA-N 0 0 450.844 4.995 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361006805 1066185822 /nfs/dbraw/zinc/18/58/22/1066185822.db2.gz ANWHFPBMYFCBJF-ZJSXRUAMSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccs1 ZINC001361006849 1066185868 /nfs/dbraw/zinc/18/58/68/1066185868.db2.gz AVRSRJRFWUDCHR-UHFFFAOYSA-N 0 0 477.556 4.630 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC001361007043 1066185907 /nfs/dbraw/zinc/18/59/07/1066185907.db2.gz DDQQJOGSICOGBE-PKTZIBPZSA-N 0 0 488.680 4.753 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)c3cccc(C)c3)CC2)s1 ZINC001361007427 1066187053 /nfs/dbraw/zinc/18/70/53/1066187053.db2.gz KOKUNZKVKAWDNG-HXUWFJFHSA-N 0 0 452.672 4.676 20 0 JJADRN Cc1cccc([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361007807 1066187583 /nfs/dbraw/zinc/18/75/83/1066187583.db2.gz PZNBQRUTWKNOGQ-QPPBQGQZSA-N 0 0 490.652 4.822 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(Cc2ccsc2)nnc1N1CCOC(C)(C)C1 ZINC001361008046 1066188184 /nfs/dbraw/zinc/18/81/84/1066188184.db2.gz GWGAUKQAIORMOY-UHFFFAOYSA-N 0 0 450.530 4.921 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001361008048 1066188198 /nfs/dbraw/zinc/18/81/98/1066188198.db2.gz GWIDNNFKMMHVSW-HXUWFJFHSA-N 0 0 476.547 4.554 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2C[C@H](C)[C@@H](C)C2)c1 ZINC001361008304 1066188663 /nfs/dbraw/zinc/18/86/63/1066188663.db2.gz WINYTFHZBGNSMY-QXUYBEEESA-N 0 0 483.657 4.791 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001361008320 1066188767 /nfs/dbraw/zinc/18/87/67/1066188767.db2.gz KWHKEPFWILXUHB-UHFFFAOYSA-N 0 0 460.504 4.504 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361008200 1066188804 /nfs/dbraw/zinc/18/88/04/1066188804.db2.gz VKIUQDSZUYBROS-NNWRFLSQSA-N 0 0 469.630 4.735 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2C[C@H](C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001361008437 1066189715 /nfs/dbraw/zinc/18/97/15/1066189715.db2.gz NARKNAPMWILFKX-IXFSTUDKSA-N 0 0 466.548 4.786 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001361008747 1066190584 /nfs/dbraw/zinc/19/05/84/1066190584.db2.gz RQLRRARTVUPPPC-QGZVFWFLSA-N 0 0 463.548 4.614 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001361008843 1066190854 /nfs/dbraw/zinc/19/08/54/1066190854.db2.gz VUIDIZBYDZYADO-LJQANCHMSA-N 0 0 474.531 4.895 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001361008873 1066191722 /nfs/dbraw/zinc/19/17/22/1066191722.db2.gz WMLMONNAKCUAJB-SFHVURJKSA-N 0 0 479.591 4.935 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H](C)Oc3ccccc3OC)nn2-c2ccccc2)cc1 ZINC001361009873 1066191990 /nfs/dbraw/zinc/19/19/90/1066191990.db2.gz JCPVQGLPVMSTGL-LJQANCHMSA-N 0 0 457.530 4.754 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccon2)c(C)c1 ZINC001361010298 1066192655 /nfs/dbraw/zinc/19/26/55/1066192655.db2.gz AGDGPXBERHBMSC-NRFANRHFSA-N 0 0 494.640 4.991 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC(N)=O)c(C)c1 ZINC001361011074 1066193398 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MGTFJRDPJGLBEL-UHFFFAOYSA-N 0 0 451.659 4.778 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)o1 ZINC001361012256 1066197484 /nfs/dbraw/zinc/19/74/84/1066197484.db2.gz VHHOFQCKIDHQGM-SANMLTNESA-N 0 0 452.599 4.830 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC001361012585 1066198119 /nfs/dbraw/zinc/19/81/19/1066198119.db2.gz IUUDBYWRPHRURS-HSZRJFAPSA-N 0 0 458.624 4.839 20 0 JJADRN COCCCOc1ccc(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cn1 ZINC001361012814 1066198167 /nfs/dbraw/zinc/19/81/67/1066198167.db2.gz RIPSPPPWACEQPQ-UHFFFAOYSA-N 0 0 453.926 4.679 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC001361012586 1066198225 /nfs/dbraw/zinc/19/82/25/1066198225.db2.gz IUUDBYWRPHRURS-QHCPKHFHSA-N 0 0 458.624 4.839 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)CCC(C)C)c(C)c1 ZINC001361014028 1066199536 /nfs/dbraw/zinc/19/95/36/1066199536.db2.gz DJGSXARXOLWGHA-WXVAWEFUSA-N 0 0 485.673 4.707 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014100 1066199584 /nfs/dbraw/zinc/19/95/84/1066199584.db2.gz GMVFYEZFZISMFQ-UHFFFAOYSA-N 0 0 458.566 4.598 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)c(C)c1 ZINC001361014115 1066200241 /nfs/dbraw/zinc/20/02/41/1066200241.db2.gz GUQFBZHWKVDMJX-ZJSXRUAMSA-N 0 0 453.631 4.607 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@@H]2C)c(C)c1 ZINC001361014325 1066200610 /nfs/dbraw/zinc/20/06/10/1066200610.db2.gz BCNGCLRBNZXNCN-DZFGPLHGSA-N 0 0 496.656 4.931 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC001361014407 1066200647 /nfs/dbraw/zinc/20/06/47/1066200647.db2.gz NOHCCJKHNBWZNN-UHFFFAOYSA-N 0 0 462.623 4.702 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H]2CCCCO2)c1 ZINC001361014332 1066200688 /nfs/dbraw/zinc/20/06/88/1066200688.db2.gz BFHIKFYCIAIIJR-NRFANRHFSA-N 0 0 486.458 4.911 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCCO2)c1 ZINC001361014333 1066200721 /nfs/dbraw/zinc/20/07/21/1066200721.db2.gz BFHIKFYCIAIIJR-OAQYLSRUSA-N 0 0 486.458 4.911 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCSC(C)C)c(C)c1 ZINC001361014713 1066201757 /nfs/dbraw/zinc/20/17/57/1066201757.db2.gz SZPYZWNEKWWMTF-HXUWFJFHSA-N 0 0 459.660 4.661 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccoc2)c(C)c1 ZINC001361014796 1066202300 /nfs/dbraw/zinc/20/23/00/1066202300.db2.gz IZLWQRNEWSUOPP-ZJSXRUAMSA-N 0 0 479.625 4.838 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)c(C)c1 ZINC001361015112 1066202915 /nfs/dbraw/zinc/20/29/15/1066202915.db2.gz ZSRZNBNATNLSQN-NRFANRHFSA-N 0 0 498.672 4.705 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2nccs2)c1 ZINC001361015442 1066203358 /nfs/dbraw/zinc/20/33/58/1066203358.db2.gz YSJNNXZIAVNLTH-UHFFFAOYSA-N 0 0 453.015 4.988 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@H]2CCC[C@@H]2C)n1 ZINC001361015478 1066203375 /nfs/dbraw/zinc/20/33/75/1066203375.db2.gz ZOHHNVGLZQMJQK-FDDCHVKYSA-N 0 0 477.657 4.576 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@H]2CCC[C@H]2C)n1 ZINC001361015481 1066203479 /nfs/dbraw/zinc/20/34/79/1066203479.db2.gz ZOHHNVGLZQMJQK-WZONZLPQSA-N 0 0 477.657 4.576 20 0 JJADRN O=C(/C=C\c1csc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001361015996 1066203979 /nfs/dbraw/zinc/20/39/79/1066203979.db2.gz FDODLMATACOGEH-ZCPJJFRWSA-N 0 0 458.505 4.824 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCc2cc(C)cc(C)c2)n1 ZINC001361017403 1066206245 /nfs/dbraw/zinc/20/62/45/1066206245.db2.gz SDKOIFXMCONSHM-UHFFFAOYSA-N 0 0 458.532 4.698 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC001361017308 1066206260 /nfs/dbraw/zinc/20/62/60/1066206260.db2.gz PDBCJUQEHQYYDA-JOCHJYFZSA-N 0 0 451.590 4.918 20 0 JJADRN Cc1cc(C)cc(CCn2c(CC(C)C)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361017665 1066206718 /nfs/dbraw/zinc/20/67/18/1066206718.db2.gz ZOOSVMGJEMFWLZ-HSZRJFAPSA-N 0 0 452.565 4.866 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361018117 1066207526 /nfs/dbraw/zinc/20/75/26/1066207526.db2.gz ILXUTBYDIMBZFG-UGKGYDQZSA-N 0 0 469.630 4.718 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCCC(F)(F)C2)c1 ZINC001361018276 1066208079 /nfs/dbraw/zinc/20/80/79/1066208079.db2.gz KMBWXTQTNPSECC-FQEVSTJZSA-N 0 0 477.600 4.650 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361018329 1066208110 /nfs/dbraw/zinc/20/81/10/1066208110.db2.gz LDQCBEKYIFAWTR-FYYLOGMGSA-N 0 0 499.700 4.665 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCCC(=O)NC2CC2)c1 ZINC001361018606 1066208658 /nfs/dbraw/zinc/20/86/58/1066208658.db2.gz QDDUUSHSZPULEL-AVRDEDQJSA-N 0 0 453.631 4.548 20 0 JJADRN CSc1ccccc1N(C)C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC001361019269 1066209385 /nfs/dbraw/zinc/20/93/85/1066209385.db2.gz UKHLYKBIBJHRPY-UHFFFAOYSA-N 0 0 454.617 4.965 20 0 JJADRN CSc1ccccc1N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC001361019481 1066209965 /nfs/dbraw/zinc/20/99/65/1066209965.db2.gz YXOONGJTIHFSAX-HNNXBMFYSA-N 0 0 452.363 4.583 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361019697 1066209990 /nfs/dbraw/zinc/20/99/90/1066209990.db2.gz FGZWOOLARSUYRE-HNNXBMFYSA-N 0 0 453.789 4.750 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H]2CCSC2)c1 ZINC001361020884 1066211687 /nfs/dbraw/zinc/21/16/87/1066211687.db2.gz LOHIDKQMSQTXFD-MOPGFXCFSA-N 0 0 457.669 4.923 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)c1nccs1 ZINC001361020809 1066211702 /nfs/dbraw/zinc/21/17/02/1066211702.db2.gz IRUQDOHJNKINPO-SFHVURJKSA-N 0 0 479.654 4.721 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)c1 ZINC001361020866 1066211934 /nfs/dbraw/zinc/21/19/34/1066211934.db2.gz KWQFOKSHIASZLW-VWLOTQADSA-N 0 0 497.709 4.837 20 0 JJADRN Cc1csc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361021054 1066213171 /nfs/dbraw/zinc/21/31/71/1066213171.db2.gz PXRQUWPRRYAJOQ-UHFFFAOYSA-N 0 0 479.654 4.875 20 0 JJADRN CC(C)(CNC(=O)CCCOc1ccc(I)cc1)c1ccccc1F ZINC001361021288 1066213836 /nfs/dbraw/zinc/21/38/36/1066213836.db2.gz IILYTIWUZBFPAI-UHFFFAOYSA-N 0 0 455.311 4.683 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(N(C)C)nc1 ZINC001361021525 1066215251 /nfs/dbraw/zinc/21/52/51/1066215251.db2.gz YCYLMBSRCMMVHW-UHFFFAOYSA-N 0 0 460.582 4.521 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361021913 1066215721 /nfs/dbraw/zinc/21/57/21/1066215721.db2.gz AHUAQNHMKHLSND-MHZLTWQESA-N 0 0 470.658 4.668 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccon2)n1 ZINC001361021949 1066215746 /nfs/dbraw/zinc/21/57/46/1066215746.db2.gz BBXCWQJWJJSGMC-KRWDZBQOSA-N 0 0 452.584 4.667 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)C3)n2Cc2ccnc(OC(F)F)c2)c1 ZINC001361022067 1066216291 /nfs/dbraw/zinc/21/62/91/1066216291.db2.gz FESWXORZECYFCG-UHFFFAOYSA-N 0 0 475.515 4.703 20 0 JJADRN C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023371 1066219248 /nfs/dbraw/zinc/21/92/48/1066219248.db2.gz LITSYRCMXXVFPY-MWTRTKDXSA-N 0 0 459.970 4.967 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361023551 1066219864 /nfs/dbraw/zinc/21/98/64/1066219864.db2.gz ATMREIDNCKOKBK-OALUTQOASA-N 0 0 493.599 4.726 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361023552 1066219952 /nfs/dbraw/zinc/21/99/52/1066219952.db2.gz ATMREIDNCKOKBK-RTBURBONSA-N 0 0 493.599 4.726 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC001361023550 1066220140 /nfs/dbraw/zinc/22/01/40/1066220140.db2.gz ATMREIDNCKOKBK-KDURUIRLSA-N 0 0 493.599 4.726 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001361024014 1066220706 /nfs/dbraw/zinc/22/07/06/1066220706.db2.gz GNAJQZZUCZSSSR-RTWAWAEBSA-N 0 0 456.631 4.540 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC001442775655 1066221042 /nfs/dbraw/zinc/22/10/42/1066221042.db2.gz HAABQOZOUWCGCF-UHFFFAOYSA-N 0 0 459.384 4.751 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)O[C@@H](C)C2 ZINC001442772581 1066221192 /nfs/dbraw/zinc/22/11/92/1066221192.db2.gz WEFAHXGKUBHEMA-JKSUJKDBSA-N 0 0 455.555 4.774 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361024461 1066221726 /nfs/dbraw/zinc/22/17/26/1066221726.db2.gz MICXDBUHFWUBLX-FNZWTVRRSA-N 0 0 452.599 4.847 20 0 JJADRN O=C(NCC1(O)CCC(F)(F)CC1)c1cccnc1Sc1ccc(Br)cc1 ZINC001453928691 1066221782 /nfs/dbraw/zinc/22/17/82/1066221782.db2.gz JWGXOSCJXMIHOW-UHFFFAOYSA-N 0 0 457.340 4.666 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CCC(C)C)c1 ZINC001361024471 1066221995 /nfs/dbraw/zinc/22/19/95/1066221995.db2.gz MIPMXYBAGSXMKK-UNMCSNQZSA-N 0 0 471.646 4.869 20 0 JJADRN Cc1cc(C)c(CC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1Br ZINC001442788272 1066222473 /nfs/dbraw/zinc/22/24/73/1066222473.db2.gz XPQRZIQFQQFPLR-KRWDZBQOSA-N 0 0 453.421 4.775 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@H]3c3ccc(Br)cc3)no2)c1 ZINC001453939589 1066223123 /nfs/dbraw/zinc/22/31/23/1066223123.db2.gz ZLUJQZQDDJJARM-NRFANRHFSA-N 0 0 455.308 4.806 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@]2(O)CCSC2)c1 ZINC001361024968 1066223238 /nfs/dbraw/zinc/22/32/38/1066223238.db2.gz SBGRAVOQHMBDKZ-CPJSRVTESA-N 0 0 458.672 4.747 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)c2ccc(C)cc2)O1 ZINC001546056220 1066223433 /nfs/dbraw/zinc/22/34/33/1066223433.db2.gz CIZZELGGUAHGIH-YADARESESA-N 0 0 453.612 4.694 20 0 JJADRN COc1ccc(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1Br ZINC001442798730 1066223520 /nfs/dbraw/zinc/22/35/20/1066223520.db2.gz NEMLLSXBABFITG-UHFFFAOYSA-N 0 0 452.146 4.560 20 0 JJADRN CCC[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001442797845 1066223555 /nfs/dbraw/zinc/22/35/55/1066223555.db2.gz JVTHDYBLZMYOGT-JPYJTQIMSA-N 0 0 453.558 4.558 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1)c1ccccc1 ZINC001442803031 1066224193 /nfs/dbraw/zinc/22/41/93/1066224193.db2.gz XLAZECHVVCYVGX-QFIPXVFZSA-N 0 0 453.369 4.919 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@@]1(C2CCCC2)CCNC1=O ZINC001361025424 1066224120 /nfs/dbraw/zinc/22/41/20/1066224120.db2.gz DTVVFSBFCACYQR-HSZRJFAPSA-N 0 0 457.368 4.663 20 0 JJADRN Cn1c(=O)oc2c1cccc2C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC001361025635 1066224669 /nfs/dbraw/zinc/22/46/69/1066224669.db2.gz KHULODKPEYJQPI-UHFFFAOYSA-N 0 0 453.292 4.725 20 0 JJADRN CCOC(=O)C1CCC(CC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC001442805776 1066224895 /nfs/dbraw/zinc/22/48/95/1066224895.db2.gz AQBMGHSSZABINZ-KVZIAJEVSA-N 0 0 459.974 4.856 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546056394 1066225302 /nfs/dbraw/zinc/22/53/02/1066225302.db2.gz FHFZIACITGBXSC-HYBUGGRVSA-N 0 0 457.550 4.585 20 0 JJADRN CC(C)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001453959885 1066225500 /nfs/dbraw/zinc/22/55/00/1066225500.db2.gz GNEMXWSLGWSVKY-UHFFFAOYSA-N 0 0 458.530 4.894 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)O1 ZINC001546056430 1066225686 /nfs/dbraw/zinc/22/56/86/1066225686.db2.gz FTOBBYYAEBQGKV-JDRJUVJTSA-N 0 0 475.678 4.804 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC001361026355 1066225994 /nfs/dbraw/zinc/22/59/94/1066225994.db2.gz FPARZJCKDHISSL-OAQYLSRUSA-N 0 0 452.348 4.992 20 0 JJADRN C[C@@H](CC(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001453960695 1066226101 /nfs/dbraw/zinc/22/61/01/1066226101.db2.gz NCWKQLKQYDZQDQ-OALUTQOASA-N 0 0 454.652 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CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCc2nc(-c3ccncc3)cs2)c1 ZINC001442821478 1066226936 /nfs/dbraw/zinc/22/69/36/1066226936.db2.gz ZIGXVGAWADIXKD-UHFFFAOYSA-N 0 0 457.987 4.751 20 0 JJADRN Cc1nnc(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001361026600 1066226870 /nfs/dbraw/zinc/22/68/70/1066226870.db2.gz DKIQKUZCSMKBPA-UHFFFAOYSA-N 0 0 479.437 4.776 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[C@H]3CCCOC3)ccc2C)cc1 ZINC001453977368 1066228637 /nfs/dbraw/zinc/22/86/37/1066228637.db2.gz VKCHULHZRFGXHM-OAQYLSRUSA-N 0 0 458.624 4.685 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC001453977914 1066228720 /nfs/dbraw/zinc/22/87/20/1066228720.db2.gz ROUJWUSDNLVFJL-UHFFFAOYSA-N 0 0 459.590 4.914 20 0 JJADRN O=C(NC[C@H]1CCCN(C(=O)CCc2ccccc2C(F)(F)F)C1)Nc1cccc(F)c1 ZINC001442832567 1066229197 /nfs/dbraw/zinc/22/91/97/1066229197.db2.gz QTSAOAXTLIHPDT-MRXNPFEDSA-N 0 0 451.464 4.837 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361027418 1066229514 /nfs/dbraw/zinc/22/95/14/1066229514.db2.gz NTLCIOYHUPGQJL-XUVXKRRUSA-N 0 0 465.564 4.593 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361027416 1066229636 /nfs/dbraw/zinc/22/96/36/1066229636.db2.gz NTLCIOYHUPGQJL-UFYCRDLUSA-N 0 0 465.564 4.593 20 0 JJADRN CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)c(F)cc1F ZINC001442839859 1066229933 /nfs/dbraw/zinc/22/99/33/1066229933.db2.gz OMIZGYVJRASJSW-LLVKDONJSA-N 0 0 450.429 4.878 20 0 JJADRN COc1cc(NC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(Cl)cc1Br ZINC001453986657 1066230136 /nfs/dbraw/zinc/23/01/36/1066230136.db2.gz WJWOPCFBNDIIDZ-USBNGQNGSA-N 0 0 459.768 4.553 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(CO)CC3)n2CCc2nc(C(C)(C)C)cs2)c1 ZINC001361027749 1066230451 /nfs/dbraw/zinc/23/04/51/1066230451.db2.gz SCGLVJRGVOUKHE-UHFFFAOYSA-N 0 0 483.682 4.679 20 0 JJADRN O=C(COc1ccc(Cl)cc1C1CCCCC1)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC001453987732 1066230669 /nfs/dbraw/zinc/23/06/69/1066230669.db2.gz MVPVXWCXBYUITE-HXUWFJFHSA-N 0 0 455.942 4.676 20 0 JJADRN C=CC(=O)Nc1ccc(O)c(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c1 ZINC001442847328 1066230770 /nfs/dbraw/zinc/23/07/70/1066230770.db2.gz OLZHDUBXGPGLNO-UHFFFAOYSA-N 0 0 457.368 4.955 20 0 JJADRN O=C(CCN1CSCCSC1)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC001442843285 1066230808 /nfs/dbraw/zinc/23/08/08/1066230808.db2.gz DTGITHPYIKMAJH-UHFFFAOYSA-N 0 0 457.503 4.898 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H]2CC2(C)C)c1 ZINC001361027772 1066230965 /nfs/dbraw/zinc/23/09/65/1066230965.db2.gz CSHVNRRYFMALOG-QFIPXVFZSA-N 0 0 467.658 4.603 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCOC(C)(C)C)c1 ZINC001361027777 1066230982 /nfs/dbraw/zinc/23/09/82/1066230982.db2.gz CUZGFWRYXWSLHX-JOCHJYFZSA-N 0 0 499.700 4.666 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC001442854599 1066231510 /nfs/dbraw/zinc/23/15/10/1066231510.db2.gz GDLPTLQOLMZBDK-OAQYLSRUSA-N 0 0 459.974 4.668 20 0 JJADRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)C2(c3cccnc3)CCCC2)CC1 ZINC001442854931 1066232070 /nfs/dbraw/zinc/23/20/70/1066232070.db2.gz IMXJQVGENYXNBP-UHFFFAOYSA-N 0 0 456.384 4.533 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC001454004105 1066232530 /nfs/dbraw/zinc/23/25/30/1066232530.db2.gz QGGCSSYUNKYXGJ-UHFFFAOYSA-N 0 0 456.514 4.883 20 0 JJADRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC001454007043 1066233628 /nfs/dbraw/zinc/23/36/28/1066233628.db2.gz JUKATOBNNVUUPL-QGZVFWFLSA-N 0 0 454.596 4.612 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc1 ZINC001442867096 1066233954 /nfs/dbraw/zinc/23/39/54/1066233954.db2.gz SDWSMOWIOKWLFL-LJQANCHMSA-N 0 0 452.576 4.904 20 0 JJADRN C[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442867432 1066234354 /nfs/dbraw/zinc/23/43/54/1066234354.db2.gz ROXFAACRSPZOGH-NVXWUHKLSA-N 0 0 453.505 4.969 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCCc2ccnc(C(C)(C)C)n2)c1 ZINC001361028850 1066234565 /nfs/dbraw/zinc/23/45/65/1066234565.db2.gz SNGNUJXEQVDBAZ-FGZHOGPDSA-N 0 0 492.668 4.808 20 0 JJADRN O=C(NCC1CCc2ccccc2CC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001454012641 1066235042 /nfs/dbraw/zinc/23/50/42/1066235042.db2.gz FUFKVBMGSFZAND-UHFFFAOYSA-N 0 0 452.551 4.552 20 0 JJADRN CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442872399 1066235477 /nfs/dbraw/zinc/23/54/77/1066235477.db2.gz FHMRXBCVPJSLAF-JWQCQUIFSA-N 0 0 450.579 4.696 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361028879 1066235538 /nfs/dbraw/zinc/23/55/38/1066235538.db2.gz UCVVOOCQDAEPTK-IRXDYDNUSA-N 0 0 490.567 4.721 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H]2CC2(C)C)c1 ZINC001361029022 1066236269 /nfs/dbraw/zinc/23/62/69/1066236269.db2.gz XFGZKTIGJMSJEU-FYYLOGMGSA-N 0 0 481.685 4.897 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1Br ZINC001361029379 1066236575 /nfs/dbraw/zinc/23/65/75/1066236575.db2.gz HZNGCFUODZHKNS-UONOGXRCSA-N 0 0 456.167 4.923 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1F ZINC001454021882 1066236600 /nfs/dbraw/zinc/23/66/00/1066236600.db2.gz QPMYQUUZIMYEQM-UHFFFAOYSA-N 0 0 457.546 4.709 20 0 JJADRN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)c(I)cc1Cl ZINC001454024270 1066236762 /nfs/dbraw/zinc/23/67/62/1066236762.db2.gz BWNGUVLBJPDJGP-ROUUACIJSA-N 0 0 457.739 4.741 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1cccc(Cn2cncn2)c1 ZINC001361030285 1066237337 /nfs/dbraw/zinc/23/73/37/1066237337.db2.gz JJLOHHLLGDZJNI-UHFFFAOYSA-N 0 0 450.296 4.529 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(C)C2CCCCCCC2)c1 ZINC001361029785 1066237401 /nfs/dbraw/zinc/23/74/01/1066237401.db2.gz RPSKZYAUAIJXAA-UHFFFAOYSA-N 0 0 459.450 4.665 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)O1 ZINC001546056774 1066237315 /nfs/dbraw/zinc/23/73/15/1066237315.db2.gz JQVNXPMKKYDOFT-MUXSNRJPSA-N 0 0 497.684 4.559 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCCO2)O1 ZINC001546056771 1066237423 /nfs/dbraw/zinc/23/74/23/1066237423.db2.gz JQGSVNGEJSDIHB-MVERNJQCSA-N 0 0 456.631 4.827 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)c(Cl)c1 ZINC001361030716 1066238145 /nfs/dbraw/zinc/23/81/45/1066238145.db2.gz VKVTXUCPYOMMSP-KRWDZBQOSA-N 0 0 454.929 4.693 20 0 JJADRN COc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)Nc3ccc(F)cc3)ccc1C)CCC2 ZINC001454035710 1066238041 /nfs/dbraw/zinc/23/80/41/1066238041.db2.gz WBYAKJGYWJEEMS-UHFFFAOYSA-N 0 0 454.523 4.537 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2)O1 ZINC001546056853 1066238324 /nfs/dbraw/zinc/23/83/24/1066238324.db2.gz KRHXVVLTIYNWCQ-HOFKKMOUSA-N 0 0 480.657 4.872 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)c1 ZINC001361030932 1066238575 /nfs/dbraw/zinc/23/85/75/1066238575.db2.gz BETXPJYQCGZTBT-YADHBBJMSA-N 0 0 456.631 4.683 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(C)=O)CC2)O1 ZINC001546057394 1066239021 /nfs/dbraw/zinc/23/90/21/1066239021.db2.gz RMJBLELTOWUIDE-YWEHKCAJSA-N 0 0 497.684 4.607 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001442912844 1066239335 /nfs/dbraw/zinc/23/93/35/1066239335.db2.gz YIXSDQNYGSDVEG-INIZCTEOSA-N 0 0 453.421 4.972 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361031073 1066239320 /nfs/dbraw/zinc/23/93/20/1066239320.db2.gz HHJWMCAJLKGSLX-HXUWFJFHSA-N 0 0 457.619 4.623 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361031095 1066239413 /nfs/dbraw/zinc/23/94/13/1066239413.db2.gz HWSQMXUDOBCDMC-FCHUYYIVSA-N 0 0 467.658 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCC[C@H]2C)c1 ZINC001361031096 1066239481 /nfs/dbraw/zinc/23/94/81/1066239481.db2.gz HWSQMXUDOBCDMC-FGZHOGPDSA-N 0 0 467.658 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@](C)(O)c2cccs2)c1 ZINC001361031062 1066239585 /nfs/dbraw/zinc/23/95/85/1066239585.db2.gz GOJZTYALWXXPIP-UUOWRZLLSA-N 0 0 476.593 4.925 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C)c(Br)c2C)CC1)c1ccccc1 ZINC001442916921 1066239994 /nfs/dbraw/zinc/23/99/94/1066239994.db2.gz BLHJLHQPZORHJS-FQEVSTJZSA-N 0 0 457.412 4.981 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361031098 1066240040 /nfs/dbraw/zinc/24/00/40/1066240040.db2.gz HWSQMXUDOBCDMC-YADHBBJMSA-N 0 0 467.658 4.651 20 0 JJADRN O=C(c1ccc(SC(F)(F)F)nc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442919366 1066240267 /nfs/dbraw/zinc/24/02/67/1066240267.db2.gz DGLVKUCZDFAKSN-AWEZNQCLSA-N 0 0 452.433 4.902 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)CCc2ccc(Br)cc2)CC1)c1ccccc1 ZINC001442919567 1066240321 /nfs/dbraw/zinc/24/03/21/1066240321.db2.gz FUGKDWIKHNBFEU-JOCHJYFZSA-N 0 0 457.412 4.683 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCc2cnn(C)c2)c1 ZINC001361031110 1066240323 /nfs/dbraw/zinc/24/03/23/1066240323.db2.gz HYRFUAKAKZUCOF-FQEVSTJZSA-N 0 0 476.547 4.619 20 0 JJADRN CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001442921391 1066240825 /nfs/dbraw/zinc/24/08/25/1066240825.db2.gz IBVCIIFFHODXHE-BPQIPLTHSA-N 0 0 468.495 4.681 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N(C)C[C@H]2CC2(C)C)n1-c1ccccc1 ZINC001454055637 1066240961 /nfs/dbraw/zinc/24/09/61/1066240961.db2.gz DQTHWAIMGUDXLB-LJQANCHMSA-N 0 0 450.608 4.751 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCCOCC(C)C)c1 ZINC001361031182 1066241016 /nfs/dbraw/zinc/24/10/16/1066241016.db2.gz KBZXUMGWHHAEPO-ISKFKSNPSA-N 0 0 456.631 4.542 20 0 JJADRN COc1ccccc1-c1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)on1 ZINC001454052870 1066241186 /nfs/dbraw/zinc/24/11/86/1066241186.db2.gz FNMGJUZRSKRDRH-UHFFFAOYSA-N 0 0 456.424 4.793 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(F)(F)CC3)n2CCSC(F)(F)F)c1 ZINC001361031403 1066241451 /nfs/dbraw/zinc/24/14/51/1066241451.db2.gz QKQDDUKDWKCGFU-UHFFFAOYSA-N 0 0 450.477 4.962 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C(C)C)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361031349 1066241539 /nfs/dbraw/zinc/24/15/39/1066241539.db2.gz PCHIDYUMEJVCGV-NRFANRHFSA-N 0 0 471.646 4.871 20 0 JJADRN CCc1c(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001454058538 1066241670 /nfs/dbraw/zinc/24/16/70/1066241670.db2.gz CMEDUJFQKRDDHO-GYCJOSAFSA-N 0 0 458.990 4.608 20 0 JJADRN COc1cc(CNC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cc(Br)c1OC ZINC001442925985 1066241705 /nfs/dbraw/zinc/24/17/05/1066241705.db2.gz RJRCDBGFVIOKSA-GFCCVEGCSA-N 0 0 454.748 4.645 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(OCc3ccccn3)cc2)CC1)c1ccccc1 ZINC001442926089 1066241768 /nfs/dbraw/zinc/24/17/68/1066241768.db2.gz RXLHYJSPZVHSNS-AREMUKBSSA-N 0 0 457.574 4.575 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001454060450 1066241930 /nfs/dbraw/zinc/24/19/30/1066241930.db2.gz DQPQYIPSBXKTHG-NIYFSFCBSA-N 0 0 451.567 4.958 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)cc1 ZINC001454063203 1066242043 /nfs/dbraw/zinc/24/20/43/1066242043.db2.gz UFALVRLJKRYGBV-VWLOTQADSA-N 0 0 452.551 4.990 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCc2ccsc2)c1 ZINC001361031498 1066242388 /nfs/dbraw/zinc/24/23/88/1066242388.db2.gz TUSYFRLZBHOZTC-UHFFFAOYSA-N 0 0 481.666 4.519 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)CCCSc2ccc(OC)cc2)CC1)c1ccccc1 ZINC001442927860 1066242661 /nfs/dbraw/zinc/24/26/61/1066242661.db2.gz ZZDNNJPFXLVPDI-DEOSSOPVSA-N 0 0 454.636 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@]2(C)CCCS2)c1 ZINC001361031701 1066242973 /nfs/dbraw/zinc/24/29/73/1066242973.db2.gz ZHDSGRUUHGOBAD-AREMUKBSSA-N 0 0 485.698 4.501 20 0 JJADRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)C2)s1 ZINC001454083926 1066243358 /nfs/dbraw/zinc/24/33/58/1066243358.db2.gz CRHZSWMUCCIZEK-CQSZACIVSA-N 0 0 457.939 4.790 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001442934599 1066243730 /nfs/dbraw/zinc/24/37/30/1066243730.db2.gz CCJKKNSOPXRRRI-DNQXCXABSA-N 0 0 459.030 4.641 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCCCS2)c1 ZINC001361031914 1066243565 /nfs/dbraw/zinc/24/35/65/1066243565.db2.gz FUNSELVGDKQCKT-GGAORHGYSA-N 0 0 485.698 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C)C3)n2Cc2nnc(C(C)(C)C)s2)c1 ZINC001361031851 1066243620 /nfs/dbraw/zinc/24/36/20/1066243620.db2.gz CWAQWLWYXNUTAQ-MRXNPFEDSA-N 0 0 454.644 4.908 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC001442934607 1066243800 /nfs/dbraw/zinc/24/38/00/1066243800.db2.gz CCJKKNSOPXRRRI-RPWUZVMVSA-N 0 0 459.030 4.641 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](COC)C2)O1 ZINC001546057740 1066243908 /nfs/dbraw/zinc/24/39/08/1066243908.db2.gz WUAXGUKASVENRJ-WHSBFGAESA-N 0 0 456.631 4.684 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)[C@@H]2CCOC2)O1 ZINC001546057780 1066243945 /nfs/dbraw/zinc/24/39/45/1066243945.db2.gz XCDQPBWCWUBCIN-TYBLODHISA-N 0 0 477.049 4.824 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361032030 1066244371 /nfs/dbraw/zinc/24/43/71/1066244371.db2.gz IQQVDMMGZBIBBY-XZOQPEGZSA-N 0 0 495.668 4.545 20 0 JJADRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001442944909 1066244963 /nfs/dbraw/zinc/24/49/63/1066244963.db2.gz YLNAVWFFSWXVGS-FQEVSTJZSA-N 0 0 451.876 4.643 20 0 JJADRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001442944913 1066245075 /nfs/dbraw/zinc/24/50/75/1066245075.db2.gz YLNAVWFFSWXVGS-HXUWFJFHSA-N 0 0 451.876 4.643 20 0 JJADRN CC(C)Oc1ccc(CNC(=O)c2cnn3c2nccc3-c2cccnc2)c(C(F)(F)F)c1 ZINC001442958148 1066245551 /nfs/dbraw/zinc/24/55/51/1066245551.db2.gz COIGRJAHXNYDHM-UHFFFAOYSA-N 0 0 455.440 4.527 20 0 JJADRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC001442957047 1066245782 /nfs/dbraw/zinc/24/57/82/1066245782.db2.gz KTDALNWLFMFROV-QGZVFWFLSA-N 0 0 450.564 4.657 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)[C@H]1CCCN(CC(F)F)C1 ZINC001442958086 1066245816 /nfs/dbraw/zinc/24/58/16/1066245816.db2.gz ATPBKPAWALVDNS-ZDUSSCGKSA-N 0 0 456.415 4.612 20 0 JJADRN COc1ccccc1N1CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001442959378 1066246263 /nfs/dbraw/zinc/24/62/63/1066246263.db2.gz NLUZREBMGGJYNE-WMZHIEFXSA-N 0 0 459.631 4.501 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)Oc1ccccc1F ZINC001545952899 1066246373 /nfs/dbraw/zinc/24/63/73/1066246373.db2.gz QLYGFZRGLIWJHO-GHTZIAJQSA-N 0 0 481.620 4.522 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001361032472 1066246195 /nfs/dbraw/zinc/24/61/95/1066246195.db2.gz BMPWGIIVOPIHQD-NRFANRHFSA-N 0 0 452.551 4.958 20 0 JJADRN Cc1noc([C@@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(C)C)C2)n1 ZINC001361032400 1066246355 /nfs/dbraw/zinc/24/63/55/1066246355.db2.gz RDPDQDPGUITMBJ-OAQYLSRUSA-N 0 0 452.603 4.986 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC001442962603 1066247120 /nfs/dbraw/zinc/24/71/20/1066247120.db2.gz DGFVZBHDPNQZBB-GFCCVEGCSA-N 0 0 451.395 4.920 20 0 JJADRN COc1ccc(C[C@H](C)N(C)C(=O)c2cc(Br)cc(Br)c2N)cc1 ZINC001442968236 1066247641 /nfs/dbraw/zinc/24/76/41/1066247641.db2.gz ISCPRCMQIKKRTP-NSHDSACASA-N 0 0 456.178 4.506 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(C(C)C)[nH]3)cc2)c(C)c1C ZINC001442968849 1066247707 /nfs/dbraw/zinc/24/77/07/1066247707.db2.gz QQFDIXYJPZPNHR-UHFFFAOYSA-N 0 0 455.584 4.523 20 0 JJADRN CSc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1Br ZINC001454121356 1066247880 /nfs/dbraw/zinc/24/78/80/1066247880.db2.gz ALUDQNPBGMZFQU-UHFFFAOYSA-N 0 0 458.337 4.776 20 0 JJADRN O=C(Nc1cc(-c2cccnc2)nn1CCO)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001454121138 1066247898 /nfs/dbraw/zinc/24/78/98/1066247898.db2.gz VJDSLROJLUUYIH-CPNJWEJPSA-N 0 0 450.951 4.832 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000029904316 1066248104 /nfs/dbraw/zinc/24/81/04/1066248104.db2.gz ZSHYXCXLFALCQK-UHFFFAOYSA-N 0 0 490.564 4.701 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2Cc2ccsc2)c1 ZINC001361033006 1066248181 /nfs/dbraw/zinc/24/81/81/1066248181.db2.gz WQGQLNOVOUQVNA-OAQYLSRUSA-N 0 0 481.666 4.715 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545953007 1066248478 /nfs/dbraw/zinc/24/84/78/1066248478.db2.gz SCEKWRNFTSHRHM-AZUAARDMSA-N 0 0 475.609 4.845 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C)C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001361033039 1066248426 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NZMBHOTXZVRBML-UHFFFAOYSA-N 0 0 452.429 4.575 20 0 JJADRN O=C(Cc1noc2ccc(Br)cc12)N(CCc1ccccc1)Cc1cccnc1 ZINC001442988450 1066250631 /nfs/dbraw/zinc/25/06/31/1066250631.db2.gz JHNPJNBVXVDPGF-UHFFFAOYSA-N 0 0 450.336 4.799 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361034777 1066250851 /nfs/dbraw/zinc/25/08/51/1066250851.db2.gz CSYODKUQBQILNO-XZOQPEGZSA-N 0 0 467.658 4.605 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CCCC2)c1 ZINC001361034730 1066251018 /nfs/dbraw/zinc/25/10/18/1066251018.db2.gz BXNKTXRDEJCXKT-UHFFFAOYSA-N 0 0 469.630 4.721 20 0 JJADRN CCCc1ccc([C@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(C)C)cc1 ZINC001442996442 1066251030 /nfs/dbraw/zinc/25/10/30/1066251030.db2.gz MKKYOVHKNJNUPT-ATIYNZHBSA-N 0 0 457.615 4.998 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545953524 1066251110 /nfs/dbraw/zinc/25/11/10/1066251110.db2.gz ZBJUJISMVZCHSA-GCJKJVERSA-N 0 0 484.620 4.715 20 0 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Cc1cc(C)cc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[C@H]2CCOC2)c1 ZINC001361038907 1066258619 /nfs/dbraw/zinc/25/86/19/1066258619.db2.gz SKOJVGLCSVOWGD-HFZDXXHNSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1C ZINC001443054606 1066259577 /nfs/dbraw/zinc/25/95/77/1066259577.db2.gz BNTAXDNTYMQBSZ-NRFANRHFSA-N 0 0 459.974 4.974 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCCC(C)(C)C)c1 ZINC001361039135 1066259804 /nfs/dbraw/zinc/25/98/04/1066259804.db2.gz YIGIKPJAIXPFRA-XZOQPEGZSA-N 0 0 456.631 4.684 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1C ZINC001443054186 1066259785 /nfs/dbraw/zinc/25/97/85/1066259785.db2.gz NXWQMBUVWIFJRN-QGZVFWFLSA-N 0 0 452.624 4.935 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001454264200 1066259999 /nfs/dbraw/zinc/25/99/99/1066259999.db2.gz JKUJHIZTKRRWNR-RUZDIDTESA-N 0 0 450.966 4.513 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC001454266398 1066260595 /nfs/dbraw/zinc/26/05/95/1066260595.db2.gz BSRDRALXRUMCGK-LJHODMEESA-N 0 0 453.535 4.812 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC001454266402 1066260693 /nfs/dbraw/zinc/26/06/93/1066260693.db2.gz BSRDRALXRUMCGK-UCLAIMLFSA-N 0 0 453.535 4.812 20 0 JJADRN O=C(CSc1cccs1)Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 ZINC001443056599 1066260682 /nfs/dbraw/zinc/26/06/82/1066260682.db2.gz CLIOLPWUMVMQIA-FQEVSTJZSA-N 0 0 456.564 4.832 20 0 JJADRN C[C@H](O)[C@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(C(C)(C)C)cc1 ZINC001454267962 1066260774 /nfs/dbraw/zinc/26/07/74/1066260774.db2.gz PUOAWNAYTRGFPH-UQXMZVDBSA-N 0 0 458.602 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 ZINC001443059144 1066260997 /nfs/dbraw/zinc/26/09/97/1066260997.db2.gz HLGJVSKEYFKRKK-UZLBHIALSA-N 0 0 454.970 4.806 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC001443058394 1066261189 /nfs/dbraw/zinc/26/11/89/1066261189.db2.gz YEZRKBDIXJIDCW-MSOLQXFVSA-N 0 0 451.567 4.904 20 0 JJADRN COc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC001443058121 1066261211 /nfs/dbraw/zinc/26/12/11/1066261211.db2.gz FUTTUCUBHCFTKA-HSZRJFAPSA-N 0 0 453.897 4.932 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)O1 ZINC001546059154 1066261201 /nfs/dbraw/zinc/26/12/01/1066261201.db2.gz FYXWWXSQIDBHMN-AMGIVPHBSA-N 0 0 499.725 4.921 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Br)ccc2OC(F)F)ccc1O ZINC001454268066 1066261213 /nfs/dbraw/zinc/26/12/13/1066261213.db2.gz COKDLQMOXRMXGH-UHFFFAOYSA-N 0 0 458.255 4.964 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCOc2ccc(Cl)cn2)c1 ZINC001361039688 1066261800 /nfs/dbraw/zinc/26/18/00/1066261800.db2.gz QNLDYGWJHHYXPS-SFHVURJKSA-N 0 0 474.030 4.543 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2CCOc2ccc(Cl)cn2)c1 ZINC001361039687 1066261898 /nfs/dbraw/zinc/26/18/98/1066261898.db2.gz QNLDYGWJHHYXPS-GOSISDBHSA-N 0 0 474.030 4.543 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N(C)CCC(F)(F)F)O1 ZINC001546059277 1066262892 /nfs/dbraw/zinc/26/28/92/1066262892.db2.gz HOUOBFDEOJBZTK-HRAATJIYSA-N 0 0 456.509 4.602 20 0 JJADRN COC(CNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)(OC)c1ccccc1 ZINC001454276024 1066263183 /nfs/dbraw/zinc/26/31/83/1066263183.db2.gz VTLUNPCHDXXMCI-UHFFFAOYSA-N 0 0 455.967 4.924 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361041443 1066263605 /nfs/dbraw/zinc/26/36/05/1066263605.db2.gz YPIVYPFFUQPHQJ-HSZRJFAPSA-N 0 0 450.579 4.601 20 0 JJADRN CN(C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001454278963 1066263756 /nfs/dbraw/zinc/26/37/56/1066263756.db2.gz UOIZSTCCNYMAJZ-SANMLTNESA-N 0 0 451.567 4.939 20 0 JJADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC001361040895 1066263758 /nfs/dbraw/zinc/26/37/58/1066263758.db2.gz KQILGNYXJICHJC-AWEZNQCLSA-N 0 0 450.992 4.851 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC001361040762 1066263771 /nfs/dbraw/zinc/26/37/71/1066263771.db2.gz HKFXXRGHOJJZGC-FGZHOGPDSA-N 0 0 458.986 4.625 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1)OCC(F)(F)F ZINC001443085063 1066263975 /nfs/dbraw/zinc/26/39/75/1066263975.db2.gz BLEFEMYZLRYVKG-QGZVFWFLSA-N 0 0 450.413 4.546 20 0 JJADRN Cc1cc(C)cc(OCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001361041604 1066264294 /nfs/dbraw/zinc/26/42/94/1066264294.db2.gz DJSKFOYVDQTRJD-YLJYHZDGSA-N 0 0 459.516 4.979 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(N3CC=C(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001546059335 1066264370 /nfs/dbraw/zinc/26/43/70/1066264370.db2.gz INQNCUNUJSRIIX-QGDZQMKYSA-N 0 0 460.663 4.849 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361041842 1066264870 /nfs/dbraw/zinc/26/48/70/1066264870.db2.gz KPLYAIFZZRDTRT-OFNKIYASSA-N 0 0 483.657 4.981 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1cc2cc[nH]c(=O)c2s1 ZINC001443089447 1066264916 /nfs/dbraw/zinc/26/49/16/1066264916.db2.gz DUUHTAHIDPKVCU-UHFFFAOYSA-N 0 0 454.935 4.631 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001443091330 1066265334 /nfs/dbraw/zinc/26/53/34/1066265334.db2.gz GCHXTRREPQKBSR-HXUWFJFHSA-N 0 0 456.391 4.781 20 0 JJADRN Cc1cc(C)cc(OCCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042158 1066265531 /nfs/dbraw/zinc/26/55/31/1066265531.db2.gz UMTARMFCJHEPML-QHCPKHFHSA-N 0 0 466.548 4.771 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@H]3CCCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC001361042212 1066265561 /nfs/dbraw/zinc/26/55/61/1066265561.db2.gz WLIUNAKKJIVREI-QPPBQGQZSA-N 0 0 496.574 4.745 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOc2cc(C)cc(C)c2)no1 ZINC001361042272 1066266224 /nfs/dbraw/zinc/26/62/24/1066266224.db2.gz YFXLZOYKWFGPNO-UHFFFAOYSA-N 0 0 452.946 4.622 20 0 JJADRN COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)C2(c3ccc(C(C)C)cc3)CCCCC2)CCO1 ZINC001454296864 1066266410 /nfs/dbraw/zinc/26/64/10/1066266410.db2.gz NAPAJBHZINCNBS-HHHXNRCGSA-N 0 0 459.627 4.598 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546059530 1066266556 /nfs/dbraw/zinc/26/65/56/1066266556.db2.gz LTHLWQPJLHARIJ-JRSBBXGCSA-N 0 0 491.677 4.607 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361042422 1066266772 /nfs/dbraw/zinc/26/67/72/1066266772.db2.gz CSHGXTQHSXVQOF-XPNTWCBSSA-N 0 0 499.656 4.660 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)c2nccc(C)c2c1 ZINC001454306371 1066266960 /nfs/dbraw/zinc/26/69/60/1066266960.db2.gz YWQXEXOWIIHIIG-MRXNPFEDSA-N 0 0 454.368 4.685 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cccc(C4OCCO4)c3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001443099667 1066267224 /nfs/dbraw/zinc/26/72/24/1066267224.db2.gz FTTFYEZVKZTGBD-HUUCEWRRSA-N 0 0 450.457 4.617 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361042776 1066267417 /nfs/dbraw/zinc/26/74/17/1066267417.db2.gz PDUQDIUQHLEWJI-NRFANRHFSA-N 0 0 489.542 4.507 20 0 JJADRN Cc1cc(C)cc(OCCn2c(Nc3ccn(C)n3)nnc2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001361042932 1066267436 /nfs/dbraw/zinc/26/74/36/1066267436.db2.gz VUSGOUCRIYGQNI-FQEVSTJZSA-N 0 0 481.601 4.523 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 ZINC001443099773 1066268161 /nfs/dbraw/zinc/26/81/61/1066268161.db2.gz GWCUUKFOPQYHGM-HRAATJIYSA-N 0 0 458.986 4.523 20 0 JJADRN CCC[C@@H](C(=O)N1CC(OC(C)C)C1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454311094 1066268585 /nfs/dbraw/zinc/26/85/85/1066268585.db2.gz IVYGKTSXODXEKA-VWLOTQADSA-N 0 0 450.579 4.672 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCC1(c2ccc(Cl)cc2)CC1 ZINC001443103084 1066268581 /nfs/dbraw/zinc/26/85/81/1066268581.db2.gz LPXPNLDBFKRMJZ-HXUWFJFHSA-N 0 0 454.901 4.938 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCCN(C(=O)CCc4ccccc4)CC3)nnc2C(C)(C)C)O1 ZINC001546059699 1066268911 /nfs/dbraw/zinc/26/89/11/1066268911.db2.gz ONKGPZXQGHAAIC-NEKDWFFYSA-N 0 0 481.685 4.595 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)s1 ZINC001361045165 1066269396 /nfs/dbraw/zinc/26/93/96/1066269396.db2.gz PJRXYWDXWOIQSV-INIZCTEOSA-N 0 0 491.665 4.721 20 0 JJADRN Cc1cc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045136 1066269538 /nfs/dbraw/zinc/26/95/38/1066269538.db2.gz OMWDNBNZAWNOGN-IEBWSBKVSA-N 0 0 496.681 4.904 20 0 JJADRN CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001545954488 1066269504 /nfs/dbraw/zinc/26/95/04/1066269504.db2.gz FRMLBFAKGSGSBR-FGZHOGPDSA-N 0 0 468.671 4.645 20 0 JJADRN Cc1cc(C)nc(N2CCN(c3nnc(COc4ccc(C(C)(C)C)cc4)n3CC(C)C)CC2)n1 ZINC001361045411 1066270025 /nfs/dbraw/zinc/27/00/25/1066270025.db2.gz WRSBIHWQPBHPBH-UHFFFAOYSA-N 0 0 477.657 4.544 20 0 JJADRN CCC[C@@H](NC(=O)c1ccc(Nc2nccs2)cc1F)C(=O)N1CCc2sccc2C1 ZINC001443119192 1066270203 /nfs/dbraw/zinc/27/02/03/1066270203.db2.gz LMGBSEMGJVAVPZ-GOSISDBHSA-N 0 0 458.584 4.571 20 0 JJADRN CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[C@@H]1C ZINC001443113941 1066270266 /nfs/dbraw/zinc/27/02/66/1066270266.db2.gz YJSXJTXNSJAIQN-VWNVYAMZSA-N 0 0 456.656 4.763 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)O1 ZINC001546059905 1066271025 /nfs/dbraw/zinc/27/10/25/1066271025.db2.gz SLBZSGNDMHGQKY-BFYUTBSUSA-N 0 0 475.678 4.879 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCO[C@H]2CCCC[C@@H]2C)c2ccccc2n1 ZINC001361045621 1066271075 /nfs/dbraw/zinc/27/10/75/1066271075.db2.gz DNRMUFFAZPBRTE-CYFREDJKSA-N 0 0 492.668 4.748 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCO[C@H]2CCCC[C@H]2C)c2ccccc2n1 ZINC001361045622 1066271296 /nfs/dbraw/zinc/27/12/96/1066271296.db2.gz DNRMUFFAZPBRTE-DVECYGJZSA-N 0 0 492.668 4.748 20 0 JJADRN Cc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045732 1066271899 /nfs/dbraw/zinc/27/18/99/1066271899.db2.gz HTGUJPGFUWTMKY-HXUWFJFHSA-N 0 0 494.640 4.722 20 0 JJADRN COc1ccc(C[C@H](NC(=O)c2ccc3nnc(C(C)(C)C)n3c2)c2ccccc2)cc1OC ZINC001443131644 1066272286 /nfs/dbraw/zinc/27/22/86/1066272286.db2.gz LTDNUPUVZZVVEH-NRFANRHFSA-N 0 0 458.562 4.758 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2n1 ZINC001361045829 1066272422 /nfs/dbraw/zinc/27/24/22/1066272422.db2.gz LKDCQZKNBWNFET-GOSISDBHSA-N 0 0 460.548 4.778 20 0 JJADRN C[C@@H](Oc1ccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1)c1ccccc1 ZINC001443138456 1066272508 /nfs/dbraw/zinc/27/25/08/1066272508.db2.gz KZMSOUDWLFCNGB-RBUKOAKNSA-N 0 0 452.576 4.568 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)NCCCc1nc3c(s1)CCCC3)N2C(=O)OC(C)(C)C ZINC001443144354 1066273085 /nfs/dbraw/zinc/27/30/85/1066273085.db2.gz ZCJGFIJWXIZIQJ-HXUWFJFHSA-N 0 0 455.624 4.746 20 0 JJADRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001454341789 1066273201 /nfs/dbraw/zinc/27/32/01/1066273201.db2.gz OYLNCAPXNVWIEC-NRFANRHFSA-N 0 0 457.596 4.688 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CCCC(=O)N(C)C)s1 ZINC001361045929 1066272991 /nfs/dbraw/zinc/27/29/91/1066272991.db2.gz OUPPXEWDVQGIFD-UHFFFAOYSA-N 0 0 462.623 4.676 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001443151530 1066273594 /nfs/dbraw/zinc/27/35/94/1066273594.db2.gz ALFFIBAPDTVFDD-AREMUKBSSA-N 0 0 456.558 4.616 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546060221 1066273779 /nfs/dbraw/zinc/27/37/79/1066273779.db2.gz WZQVDHXHDWHQOZ-AJTFRIOCSA-N 0 0 499.725 4.921 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC2CCOCC2)O1 ZINC001546060276 1066273964 /nfs/dbraw/zinc/27/39/64/1066273964.db2.gz XSAXDDFBBICPCA-BILGYAHESA-N 0 0 462.679 4.797 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(OCCCOC)CC2)O1 ZINC001546060368 1066274438 /nfs/dbraw/zinc/27/44/38/1066274438.db2.gz ZBOFDYNRYSHYIH-DVAKJLRASA-N 0 0 492.705 4.566 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCC(C)(C)O)c2ccccc2n1 ZINC001361046173 1066274566 /nfs/dbraw/zinc/27/45/66/1066274566.db2.gz XXSHETRLOFRCQC-UHFFFAOYSA-N 0 0 459.598 4.513 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CCCC2(C)C)c2ccccc2n1 ZINC001361046200 1066275100 /nfs/dbraw/zinc/27/51/00/1066275100.db2.gz YQJHXWYLXOPFKQ-LJQANCHMSA-N 0 0 462.642 4.979 20 0 JJADRN CN1C[C@H](NC(=O)c2ccccc2OCc2ccc(Br)cc2)Cc2ccccc21 ZINC001454372375 1066275812 /nfs/dbraw/zinc/27/58/12/1066275812.db2.gz MWQWCXLFYQUESQ-HXUWFJFHSA-N 0 0 451.364 4.819 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001361046599 1066275776 /nfs/dbraw/zinc/27/57/76/1066275776.db2.gz HXJDCUPWGBHZQF-RHSMWYFYSA-N 0 0 457.384 4.815 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001454363184 1066275985 /nfs/dbraw/zinc/27/59/85/1066275985.db2.gz OSTXOLKHSGNUBA-PXNSSMCTSA-N 0 0 459.974 4.721 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)C1CCC1 ZINC001443164185 1066275965 /nfs/dbraw/zinc/27/59/65/1066275965.db2.gz OMDALCVBXNDZMY-QFIPXVFZSA-N 0 0 455.530 4.639 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001361047446 1066276352 /nfs/dbraw/zinc/27/63/52/1066276352.db2.gz BKCQNPUJEPKQHP-GOSISDBHSA-N 0 0 452.324 4.915 20 0 JJADRN O=C(NCc1ccnc(Br)c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC001454400024 1066277406 /nfs/dbraw/zinc/27/74/06/1066277406.db2.gz RTPVEPMLOJNMIP-UHFFFAOYSA-N 0 0 453.365 4.943 20 0 JJADRN Cc1cc(-c2nnc(N(CC(C)C)C(C)C)n2CCNC(=O)c2ccco2)c2ccccc2n1 ZINC001361048583 1066277904 /nfs/dbraw/zinc/27/79/04/1066277904.db2.gz DJUDEPWTMSYUIP-UHFFFAOYSA-N 0 0 460.582 4.696 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCCOC(F)(F)F)c2ccccc2n1 ZINC001361048696 1066278404 /nfs/dbraw/zinc/27/84/04/1066278404.db2.gz GRLIUELCJPZEOG-UHFFFAOYSA-N 0 0 465.520 4.980 20 0 JJADRN NC(=O)[C@H](F)C1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 ZINC001454404113 1066278595 /nfs/dbraw/zinc/27/85/95/1066278595.db2.gz YEJLLDOODXNTSZ-LJQANCHMSA-N 0 0 455.382 4.961 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001443200828 1066278991 /nfs/dbraw/zinc/27/89/91/1066278991.db2.gz IRIUFKUMSLZSQL-GCJKJVERSA-N 0 0 457.452 4.586 20 0 JJADRN CCC(=O)c1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)ccc1F ZINC001443201254 1066279049 /nfs/dbraw/zinc/27/90/49/1066279049.db2.gz KLBDEORFNYLHJB-UHFFFAOYSA-N 0 0 455.530 4.639 20 0 JJADRN O=C(c1ncc(Cl)cc1Cl)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001443205913 1066279749 /nfs/dbraw/zinc/27/97/49/1066279749.db2.gz PIFLAXOAOGPDEM-UHFFFAOYSA-N 0 0 451.354 4.609 20 0 JJADRN C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)Nc3ccnn3Cc3c(Cl)cccc3Cl)c2N1 ZINC001443209172 1066279789 /nfs/dbraw/zinc/27/97/89/1066279789.db2.gz CBGYGEGRYDEPFA-MEBBXXQBSA-N 0 0 455.296 4.697 20 0 JJADRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1cc(Br)cn2ncnc12 ZINC001443209342 1066279818 /nfs/dbraw/zinc/27/98/18/1066279818.db2.gz WSFLIXANBAHSFS-UHFFFAOYSA-N 0 0 453.344 4.536 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)cc1C ZINC001443211336 1066280124 /nfs/dbraw/zinc/28/01/24/1066280124.db2.gz VFTDOVOGSDRJHJ-UHFFFAOYSA-N 0 0 452.558 4.892 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001443209482 1066280433 /nfs/dbraw/zinc/28/04/33/1066280433.db2.gz QUYYCCSBKTVCPQ-NNMXDRDESA-N 0 0 452.599 4.670 20 0 JJADRN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCC(=O)c1cc(Cl)ccc1F ZINC001454419394 1066280673 /nfs/dbraw/zinc/28/06/73/1066280673.db2.gz AVUCOLHZCGJNIV-UHFFFAOYSA-N 0 0 451.951 4.604 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC001443212062 1066280857 /nfs/dbraw/zinc/28/08/57/1066280857.db2.gz DKRHJGXMVXXNFT-UHFFFAOYSA-N 0 0 457.317 4.687 20 0 JJADRN CCC(CC)(COCc1ccccc1)C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC001454423211 1066280902 /nfs/dbraw/zinc/28/09/02/1066280902.db2.gz IAHBQRFDESNCCH-UHFFFAOYSA-N 0 0 450.348 4.910 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCC3CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361049282 1066281455 /nfs/dbraw/zinc/28/14/55/1066281455.db2.gz YPNGOTLGWLHQQH-GOSISDBHSA-N 0 0 464.614 4.951 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCC(C)(F)F)c2ccccc2n1 ZINC001361049437 1066281980 /nfs/dbraw/zinc/28/19/80/1066281980.db2.gz DLPMBSYDWXVBSE-GOSISDBHSA-N 0 0 470.568 4.588 20 0 JJADRN O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc(CSc2nc[nH]n2)cc1 ZINC001443220591 1066282078 /nfs/dbraw/zinc/28/20/78/1066282078.db2.gz WRMPXOMAMWRLNZ-UHFFFAOYSA-N 0 0 459.362 4.901 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)C1 ZINC001546061603 1066282210 /nfs/dbraw/zinc/28/22/10/1066282210.db2.gz CEVZLSRDUNLZPW-MWTRTKDXSA-N 0 0 458.607 4.976 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 ZINC001546061599 1066282263 /nfs/dbraw/zinc/28/22/63/1066282263.db2.gz CEAMZWXZWHVOGW-BUUDZMLXSA-N 0 0 474.049 4.836 20 0 JJADRN CCn1c(CCNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 ZINC001443228474 1066282806 /nfs/dbraw/zinc/28/28/06/1066282806.db2.gz WJVMPOAQCLDAAR-WZONZLPQSA-N 0 0 450.583 4.617 20 0 JJADRN CCC(CC)(CNC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001443238742 1066282926 /nfs/dbraw/zinc/28/29/26/1066282926.db2.gz RWHFQRAKXOVRQI-UHFFFAOYSA-N 0 0 459.414 4.539 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(Cc2cncs2)CC1 ZINC001454448011 1066283625 /nfs/dbraw/zinc/28/36/25/1066283625.db2.gz VGXGISQNDDQFPP-UHFFFAOYSA-N 0 0 452.580 4.601 20 0 JJADRN Cc1cc(-c2nnc(N3CCC=C(Br)C3)n2CCOCC(F)F)c2ccccc2n1 ZINC001361050238 1066284178 /nfs/dbraw/zinc/28/41/78/1066284178.db2.gz UWJGKEPRVLROML-UHFFFAOYSA-N 0 0 478.341 4.572 20 0 JJADRN CC[C@H](C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC001454455904 1066284235 /nfs/dbraw/zinc/28/42/35/1066284235.db2.gz HFMVEVGGJXZKTC-SFHVURJKSA-N 0 0 451.792 4.646 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001454457493 1066284321 /nfs/dbraw/zinc/28/43/21/1066284321.db2.gz BDHAYPPNVUOPLC-RARDXLECSA-N 0 0 451.007 4.956 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC001443252222 1066284214 /nfs/dbraw/zinc/28/42/14/1066284214.db2.gz JHBLHFLFCNWBNB-UHFFFAOYSA-N 0 0 459.369 4.969 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@H](C)CC3)n2CC[S@@](=O)C(C)(C)C)c2ccccc2n1 ZINC001361049996 1066284272 /nfs/dbraw/zinc/28/42/72/1066284272.db2.gz RLMFMSVSJOVLDA-HYHKQLJDSA-N 0 0 453.656 4.975 20 0 JJADRN CC[C@@H](C(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC001454455902 1066284495 /nfs/dbraw/zinc/28/44/95/1066284495.db2.gz HFMVEVGGJXZKTC-GOSISDBHSA-N 0 0 451.792 4.646 20 0 JJADRN Cc1nc(CN2CCN(C(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)oc1C ZINC001443254654 1066285207 /nfs/dbraw/zinc/28/52/07/1066285207.db2.gz PFQINCPYFKGGSJ-HSZRJFAPSA-N 0 0 457.546 4.747 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1 ZINC001443260478 1066285929 /nfs/dbraw/zinc/28/59/29/1066285929.db2.gz SASQVEABEYAXAK-UHFFFAOYSA-N 0 0 454.596 4.882 20 0 JJADRN O=C(/C=C\c1ccccc1C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454463441 1066286021 /nfs/dbraw/zinc/28/60/21/1066286021.db2.gz LDMHNLWXPAIGIU-YFHOEESVSA-N 0 0 456.386 4.608 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCOc2cccc(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051468 1066286446 /nfs/dbraw/zinc/28/64/46/1066286446.db2.gz TUBJDFAKZCMLAM-AREMUKBSSA-N 0 0 451.588 4.772 20 0 JJADRN CCCOc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454466608 1066286471 /nfs/dbraw/zinc/28/64/71/1066286471.db2.gz HLKBKZTVKVXIJF-UHFFFAOYSA-N 0 0 454.876 4.632 20 0 JJADRN COc1ccc([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454465856 1066286584 /nfs/dbraw/zinc/28/65/84/1066286584.db2.gz SKQWOGBSIZXWSO-RBBKRZOGSA-N 0 0 454.542 4.512 20 0 JJADRN COc1ccc2nc(C)c(C(=O)N[C@@H]3[C@@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C3(C)C)cc2c1 ZINC001454467052 1066287134 /nfs/dbraw/zinc/28/71/34/1066287134.db2.gz MZHNNZXGFQUJHO-VLCRHTCISA-N 0 0 453.583 4.706 20 0 JJADRN Cc1cc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H](F)c2ccc(Br)cc2)no1 ZINC001361052594 1066287586 /nfs/dbraw/zinc/28/75/86/1066287586.db2.gz SPCDQIAMORKDSX-QGZVFWFLSA-N 0 0 450.356 4.982 20 0 JJADRN CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Br)cn1 ZINC001361052379 1066287727 /nfs/dbraw/zinc/28/77/27/1066287727.db2.gz HULKRZIKUVCKTF-LLVKDONJSA-N 0 0 457.155 4.557 20 0 JJADRN Cc1cc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052822 1066288445 /nfs/dbraw/zinc/28/84/45/1066288445.db2.gz XPWIEPKRUQFGIB-QGZVFWFLSA-N 0 0 476.585 4.534 20 0 JJADRN CN(C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC001443268959 1066288710 /nfs/dbraw/zinc/28/87/10/1066288710.db2.gz VZYYHRMFQKBLBY-NRFANRHFSA-N 0 0 458.436 4.815 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(F)(F)F)cc2C)no1 ZINC001361053484 1066289691 /nfs/dbraw/zinc/28/96/91/1066289691.db2.gz JNCCTOIDTUZJON-HSZRJFAPSA-N 0 0 493.530 4.627 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3-c3ccccc3Cl)C(C)(C)[C@H]21 ZINC001454478725 1066289969 /nfs/dbraw/zinc/28/99/69/1066289969.db2.gz YCNDFIBNZRQHNC-YSGRDPCXSA-N 0 0 458.990 4.884 20 0 JJADRN CC[C@H](Cn1c(C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545956708 1066290405 /nfs/dbraw/zinc/29/04/05/1066290405.db2.gz HPEMMCJIZAXMKC-KCZVDYSFSA-N 0 0 487.620 4.713 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CCN2)c1 ZINC001454479566 1066290501 /nfs/dbraw/zinc/29/05/01/1066290501.db2.gz WKWNKNRJFBXIDL-UPVQGACJSA-N 0 0 454.929 4.781 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CCN2)c1 ZINC001454479565 1066290681 /nfs/dbraw/zinc/29/06/81/1066290681.db2.gz WKWNKNRJFBXIDL-LADGPHEKSA-N 0 0 454.929 4.781 20 0 JJADRN O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001454479936 1066290783 /nfs/dbraw/zinc/29/07/83/1066290783.db2.gz NWIZJYIOVOCZQC-HNNXBMFYSA-N 0 0 451.331 4.699 20 0 JJADRN CO[C@H](C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC001454486168 1066290796 /nfs/dbraw/zinc/29/07/96/1066290796.db2.gz AKDQFWRBBJGFQY-DOMZBBRYSA-N 0 0 453.185 4.745 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCOC[C@H]2C)no1 ZINC001361054714 1066290704 /nfs/dbraw/zinc/29/07/04/1066290704.db2.gz CGNMVZWJBXIGJS-CRAIPNDOSA-N 0 0 474.403 4.621 20 0 JJADRN COc1cccc([C@@H](O)C2CCN(C(=O)CSc3ccc(Br)cc3)CC2)c1 ZINC001454486931 1066291429 /nfs/dbraw/zinc/29/14/29/1066291429.db2.gz GHYYGBXXADARKJ-NRFANRHFSA-N 0 0 450.398 4.522 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccnc(C(F)(F)F)c2)no1 ZINC001361054799 1066291509 /nfs/dbraw/zinc/29/15/09/1066291509.db2.gz GTVLRZNKZNUIKM-UHFFFAOYSA-N 0 0 494.424 4.941 20 0 JJADRN C/C(=C\C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC001443298901 1066291789 /nfs/dbraw/zinc/29/17/89/1066291789.db2.gz DDLWTFCGINSDFU-SDNWHVSQSA-N 0 0 454.290 4.615 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001361054913 1066292006 /nfs/dbraw/zinc/29/20/06/1066292006.db2.gz KNXJRFSRZVPPPH-IEBWSBKVSA-N 0 0 472.431 4.664 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001454490411 1066292009 /nfs/dbraw/zinc/29/20/09/1066292009.db2.gz QEISJCFYGJWOAL-AWEZNQCLSA-N 0 0 452.563 4.845 20 0 JJADRN CNC(=O)Nc1cccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1 ZINC001443302654 1066292462 /nfs/dbraw/zinc/29/24/62/1066292462.db2.gz ISODCANRRFFWBI-UHFFFAOYSA-N 0 0 457.534 4.589 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)C2CC2)c1 ZINC001361055037 1066292666 /nfs/dbraw/zinc/29/26/66/1066292666.db2.gz PLROTTOVGTUSIA-NRFANRHFSA-N 0 0 461.429 4.875 20 0 JJADRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454494561 1066292690 /nfs/dbraw/zinc/29/26/90/1066292690.db2.gz XKWWBLPNKYXEHO-UYAOXDASSA-N 0 0 461.743 4.635 20 0 JJADRN O=C(CSCc1ccccn1)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001443306418 1066292889 /nfs/dbraw/zinc/29/28/89/1066292889.db2.gz WWTBRCCMUDQKQC-UHFFFAOYSA-N 0 0 450.539 4.683 20 0 JJADRN COc1cccc([C@H](O)C2CCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)c1 ZINC001454498032 1066293182 /nfs/dbraw/zinc/29/31/82/1066293182.db2.gz NHAKGDBOHBWWKM-XMMPIXPASA-N 0 0 458.986 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1csc(C(F)(F)F)c1)c1c(F)cccc1F ZINC001454499129 1066293367 /nfs/dbraw/zinc/29/33/67/1066293367.db2.gz WIJDXJKKQRFHCS-HNNXBMFYSA-N 0 0 450.429 4.927 20 0 JJADRN CCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1OC ZINC001454501233 1066293799 /nfs/dbraw/zinc/29/37/99/1066293799.db2.gz ZEIZBVQBIIYBMI-UHFFFAOYSA-N 0 0 452.580 4.758 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c2ccc(OC)cc2)n1 ZINC001361055528 1066293820 /nfs/dbraw/zinc/29/38/20/1066293820.db2.gz JVMUDBGYLKGBPT-HNNXBMFYSA-N 0 0 454.552 4.783 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)Oc2cccc(F)c2)no1 ZINC001361055319 1066293968 /nfs/dbraw/zinc/29/39/68/1066293968.db2.gz VERUSDIVVSFISN-AWEZNQCLSA-N 0 0 489.349 4.575 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCN(C)CC(F)(F)F)no1 ZINC001361055577 1066294591 /nfs/dbraw/zinc/29/45/91/1066294591.db2.gz ZBVFIZLKNOFHQJ-OAHLLOKOSA-N 0 0 496.603 4.948 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccns3)cc2)c(C)c1C ZINC001454504196 1066294420 /nfs/dbraw/zinc/29/44/20/1066294420.db2.gz PZWSPJIJAITSOR-SFHVURJKSA-N 0 0 457.621 4.977 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccc(C(F)F)n2)C1 ZINC001546062251 1066294570 /nfs/dbraw/zinc/29/45/70/1066294570.db2.gz NDGGKUURVLJQIU-NPMXOYFQSA-N 0 0 460.504 4.960 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C)OC ZINC001545956892 1066294488 /nfs/dbraw/zinc/29/44/88/1066294488.db2.gz KRNDLFQAJMRWIS-XKGZKEIXSA-N 0 0 472.431 4.854 20 0 JJADRN O=C(NCc1ccc(OCCSc2ccc(Cl)cc2)cc1)[C@@H]1CCc2ncncc2C1 ZINC001443314977 1066294568 /nfs/dbraw/zinc/29/45/68/1066294568.db2.gz WYUOMJPFVVICNP-GOSISDBHSA-N 0 0 453.995 4.722 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(-n4ccnc4)c(C)c3)[nH]c(=O)c2c1C ZINC001443312191 1066294645 /nfs/dbraw/zinc/29/46/45/1066294645.db2.gz LNINPDIOZZOAOR-HNNXBMFYSA-N 0 0 453.593 4.768 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001454518913 1066294899 /nfs/dbraw/zinc/29/48/99/1066294899.db2.gz XMZSALGIWLVXPF-ZWKOTPCHSA-N 0 0 456.564 4.570 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545956931 1066294948 /nfs/dbraw/zinc/29/49/48/1066294948.db2.gz LIOVQGYKNXLZGS-VQTJNVASSA-N 0 0 494.640 4.672 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCC3(CCSCC3)CC2)C1 ZINC001454509673 1066295137 /nfs/dbraw/zinc/29/51/37/1066295137.db2.gz ABUFXHBFOBHHMZ-FGZHOGPDSA-N 0 0 458.668 4.848 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443334087 1066295855 /nfs/dbraw/zinc/29/58/55/1066295855.db2.gz JLBYREMRNBKBSW-WZONZLPQSA-N 0 0 453.652 4.849 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC[C@@H]2CCCO2)no1 ZINC001361056460 1066296286 /nfs/dbraw/zinc/29/62/86/1066296286.db2.gz QOOPITZVAVRELK-SFHVURJKSA-N 0 0 480.396 4.770 20 0 JJADRN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001443337080 1066296336 /nfs/dbraw/zinc/29/63/36/1066296336.db2.gz QWVAXNYBBSZTRS-UHFFFAOYSA-N 0 0 457.939 4.660 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cccc(C)n2)C1 ZINC001546062752 1066296616 /nfs/dbraw/zinc/29/66/16/1066296616.db2.gz WNHFAAJXHITARM-SANMLTNESA-N 0 0 481.044 4.824 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@@H]1C)OC ZINC001545957111 1066296525 /nfs/dbraw/zinc/29/65/25/1066296525.db2.gz PBJOOAWVWDAKMA-MAUKXSAKSA-N 0 0 458.404 4.595 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361056353 1066296449 /nfs/dbraw/zinc/29/64/49/1066296449.db2.gz MWFTUEHQYAPFDG-REWPJTCUSA-N 0 0 476.625 4.930 20 0 JJADRN Cc1csc([C@](O)(CC(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C(F)(F)F)n1 ZINC001454538095 1066297203 /nfs/dbraw/zinc/29/72/03/1066297203.db2.gz NJEOHMGZVMMOKD-HNAYVOBHSA-N 0 0 457.905 4.920 20 0 JJADRN Cn1c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443338837 1066297189 /nfs/dbraw/zinc/29/71/89/1066297189.db2.gz UWZUIEYFYQORKU-LJQANCHMSA-N 0 0 450.543 4.525 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443341961 1066297234 /nfs/dbraw/zinc/29/72/34/1066297234.db2.gz ZZYXUVLTTDVGEL-HNAYVOBHSA-N 0 0 451.633 4.610 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[C@H](F)C2)no1 ZINC001361056668 1066297116 /nfs/dbraw/zinc/29/71/16/1066297116.db2.gz YKTHRJNNBRNAAZ-KGLIPLIRSA-N 0 0 466.330 4.918 20 0 JJADRN Cc1csc([C@](O)(CC(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C(F)(F)F)n1 ZINC001454538091 1066297318 /nfs/dbraw/zinc/29/73/18/1066297318.db2.gz NJEOHMGZVMMOKD-DNVCBOLYSA-N 0 0 457.905 4.920 20 0 JJADRN Cc1csc([C@@](O)(CC(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C(F)(F)F)n1 ZINC001454538102 1066297385 /nfs/dbraw/zinc/29/73/85/1066297385.db2.gz NJEOHMGZVMMOKD-KXBFYZLASA-N 0 0 457.905 4.920 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3nccc4c(Br)cccc43)ccc2NC1=O ZINC001361057098 1066297662 /nfs/dbraw/zinc/29/76/62/1066297662.db2.gz IXXCEHZIPZHILP-KPZWWZAWSA-N 0 0 454.324 4.598 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361057430 1066297769 /nfs/dbraw/zinc/29/77/69/1066297769.db2.gz JETNXDRAADYJOV-JOCHJYFZSA-N 0 0 476.625 4.932 20 0 JJADRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc(Cl)cc(Br)c3F)ccc2NC1=O ZINC001361056807 1066297813 /nfs/dbraw/zinc/29/78/13/1066297813.db2.gz CGSUTTJCDZSALU-BJOHPYRUSA-N 0 0 455.711 4.842 20 0 JJADRN CCON(C(=O)c1nn(C(C)C)c(=O)c2ccccc21)[C@@H](C)c1cccc(Br)c1 ZINC001454540089 1066297962 /nfs/dbraw/zinc/29/79/62/1066297962.db2.gz LUAONKCFTLQHRA-HNNXBMFYSA-N 0 0 458.356 4.895 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C(=O)C(F)(F)F)CC1)OC ZINC001545957274 1066297867 /nfs/dbraw/zinc/29/78/67/1066297867.db2.gz SNWQSQBNIXIGFF-KRWDZBQOSA-N 0 0 475.515 4.575 20 0 JJADRN CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001545957288 1066297923 /nfs/dbraw/zinc/29/79/23/1066297923.db2.gz SRZOKELFJBFAGM-CVEARBPZSA-N 0 0 497.086 4.642 20 0 JJADRN CC[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001545957290 1066298005 /nfs/dbraw/zinc/29/80/05/1066298005.db2.gz SRZOKELFJBFAGM-HZPDHXFCSA-N 0 0 497.086 4.642 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001361057676 1066298244 /nfs/dbraw/zinc/29/82/44/1066298244.db2.gz OCKLBSSUFARSOR-UHFFFAOYSA-N 0 0 464.614 4.850 20 0 JJADRN COC(=O)CCN(C(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC001361058498 1066298256 /nfs/dbraw/zinc/29/82/56/1066298256.db2.gz GFIYOVLLKBQQDH-OAQYLSRUSA-N 0 0 456.514 4.604 20 0 JJADRN CCON(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@H](C)c1cccc(Br)c1 ZINC001454545056 1066298383 /nfs/dbraw/zinc/29/83/83/1066298383.db2.gz UVYPJRVSHCXOGK-OAHLLOKOSA-N 0 0 454.386 4.786 20 0 JJADRN O=C(NCc1ccsc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001454541852 1066298430 /nfs/dbraw/zinc/29/84/30/1066298430.db2.gz PWBCKFFSLUGFNE-UHFFFAOYSA-N 0 0 458.458 4.637 20 0 JJADRN CCON(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@H](C)c1cccc(Br)c1 ZINC001454541178 1066298495 /nfs/dbraw/zinc/29/84/95/1066298495.db2.gz MDRTVWHJODCROO-VFNWGFHPSA-N 0 0 458.356 4.514 20 0 JJADRN CCON(C(=O)CCCNC(=O)NC1CCCCC1)[C@@H](C)c1cccc(Br)c1 ZINC001454541876 1066298659 /nfs/dbraw/zinc/29/86/59/1066298659.db2.gz NSGNDIUQTBGQEP-INIZCTEOSA-N 0 0 454.409 4.702 20 0 JJADRN Cc1nnc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)Cc2cccc(C)c2)s1 ZINC001361059392 1066298964 /nfs/dbraw/zinc/29/89/64/1066298964.db2.gz AEFLKCMCFFDJJH-HXUWFJFHSA-N 0 0 497.669 4.546 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)c3ccccc3n2)c(C)c1 ZINC001361059070 1066299010 /nfs/dbraw/zinc/29/90/10/1066299010.db2.gz ZBXQZTYTQPFJBM-LOSJGSFVSA-N 0 0 450.604 4.946 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)OCc1cc(Cl)ccc1OC1CCCC1 ZINC001361059890 1066299598 /nfs/dbraw/zinc/29/95/98/1066299598.db2.gz PJDCJIHHIKCSDL-UHFFFAOYSA-N 0 0 450.984 4.752 20 0 JJADRN C[C@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CN1C(=O)OC(C)(C)C ZINC001454547503 1066299742 /nfs/dbraw/zinc/29/97/42/1066299742.db2.gz HZBYAYAKHKATBO-WMLDXEAASA-N 0 0 450.004 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@H]2C[C@H]21 ZINC001454547457 1066299776 /nfs/dbraw/zinc/29/97/76/1066299776.db2.gz CHHXVLVNORTQMO-RSUWNVLCSA-N 0 0 455.780 4.541 20 0 JJADRN C[C@@H](CNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccncc1 ZINC001454547984 1066299929 /nfs/dbraw/zinc/29/99/29/1066299929.db2.gz FKVBNQROVLVVMM-INIZCTEOSA-N 0 0 451.452 4.882 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC001443356941 1066300074 /nfs/dbraw/zinc/30/00/74/1066300074.db2.gz LADGQLFDLWGNKH-LJJUJYJISA-N 0 0 470.595 4.766 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCc2cc(C(F)(F)F)ccn2)c1 ZINC001361060351 1066300164 /nfs/dbraw/zinc/30/01/64/1066300164.db2.gz MUVOZNRHIDIUNP-IBGZPJMESA-N 0 0 459.516 4.773 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)c1 ZINC001361060853 1066300745 /nfs/dbraw/zinc/30/07/45/1066300745.db2.gz XGYKTORKBCSYHX-KRWDZBQOSA-N 0 0 465.545 4.835 20 0 JJADRN O=C(Nc1cccc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001454556819 1066300784 /nfs/dbraw/zinc/30/07/84/1066300784.db2.gz IDKRQMZXSXHNIS-SWLSCSKDSA-N 0 0 476.282 4.880 20 0 JJADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC001443359570 1066301079 /nfs/dbraw/zinc/30/10/79/1066301079.db2.gz ROKKLMJOOFYKGE-IBGZPJMESA-N 0 0 458.584 4.887 20 0 JJADRN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1C[C@@H]1CCCOC1 ZINC001443358935 1066301262 /nfs/dbraw/zinc/30/12/62/1066301262.db2.gz MXWOQGBDHLLUID-OZXSUGGESA-N 0 0 459.590 4.511 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 ZINC001454570797 1066302060 /nfs/dbraw/zinc/30/20/60/1066302060.db2.gz CTHPIGVHCZEQHE-INIZCTEOSA-N 0 0 451.539 4.550 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1)OC ZINC001545957440 1066302101 /nfs/dbraw/zinc/30/21/01/1066302101.db2.gz VZQBWAYDQAMYCL-INIZCTEOSA-N 0 0 459.310 4.831 20 0 JJADRN Cc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2cccc(F)c2)no1 ZINC001361063771 1066302680 /nfs/dbraw/zinc/30/26/80/1066302680.db2.gz ROMDTALHWXURPE-UHFFFAOYSA-N 0 0 454.575 4.684 20 0 JJADRN COc1ccc(-c2csc(NC(=O)[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)n2)cc1OC ZINC001443369524 1066302997 /nfs/dbraw/zinc/30/29/97/1066302997.db2.gz LEKOPAMWUREDRL-YADARESESA-N 0 0 473.595 4.946 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1)OCc1ccccc1 ZINC001443375046 1066303043 /nfs/dbraw/zinc/30/30/43/1066303043.db2.gz VRKAZBBKWFRMPC-NRFANRHFSA-N 0 0 458.543 4.681 20 0 JJADRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001361064239 1066303088 /nfs/dbraw/zinc/30/30/88/1066303088.db2.gz ZHCXLSMDZHQGND-FQEVSTJZSA-N 0 0 451.929 4.943 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCc2cn(C(F)F)c3ccccc23)cc1OC ZINC001454573518 1066303152 /nfs/dbraw/zinc/30/31/52/1066303152.db2.gz GAQZZCLGTGCWOH-UHFFFAOYSA-N 0 0 459.493 4.968 20 0 JJADRN CC1(C)[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)[C@H]2CCCO[C@@H]21 ZINC001361064224 1066303214 /nfs/dbraw/zinc/30/32/14/1066303214.db2.gz YSKQNUCIUJTZCQ-AQNXPRMDSA-N 0 0 457.368 4.635 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOC(C)(C)C)no1 ZINC001361064469 1066303613 /nfs/dbraw/zinc/30/36/13/1066303613.db2.gz GBUQYTUZHVAHFO-UHFFFAOYSA-N 0 0 455.603 4.903 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001443388719 1066304481 /nfs/dbraw/zinc/30/44/81/1066304481.db2.gz NNZCUJNYLSDBCK-NRFANRHFSA-N 0 0 453.325 4.760 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1 ZINC001454578722 1066304559 /nfs/dbraw/zinc/30/45/59/1066304559.db2.gz MODOIFCVBDKFMU-QRVBRYPASA-N 0 0 467.651 4.612 20 0 JJADRN COc1cccc(C2=NO[C@H](C(=O)N[C@@H](c3ccccc3Cl)c3ccccc3OC)C2)c1 ZINC001361065299 1066304692 /nfs/dbraw/zinc/30/46/92/1066304692.db2.gz NKHHTXVLLUVAJI-ZEQRLZLVSA-N 0 0 450.922 4.756 20 0 JJADRN CC(C)C[C@H](CC(=O)Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)NC(=O)OC(C)(C)C ZINC001443388228 1066304779 /nfs/dbraw/zinc/30/47/79/1066304779.db2.gz RDZAPPDJWAESLT-LJQANCHMSA-N 0 0 457.619 4.817 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC(C)(C)C1 ZINC001454581472 1066304925 /nfs/dbraw/zinc/30/49/25/1066304925.db2.gz QCHDWWMKHWXDTG-ZHALLVOQSA-N 0 0 470.532 4.711 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccnc(OCc3ccccc3)c2)CC(C)(C)C1 ZINC001454584732 1066304945 /nfs/dbraw/zinc/30/49/45/1066304945.db2.gz UYSULFSIVKLCTR-NRFANRHFSA-N 0 0 453.583 4.816 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC(C)(C)C1 ZINC001454583386 1066305007 /nfs/dbraw/zinc/30/50/07/1066305007.db2.gz SEUXGCJFZUALNP-CQSZACIVSA-N 0 0 455.386 4.797 20 0 JJADRN O=C(NCC1(Sc2ccccc2)CC1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001443387565 1066304976 /nfs/dbraw/zinc/30/49/76/1066304976.db2.gz YNVJKQYKUZJUIX-UHFFFAOYSA-N 0 0 456.564 4.681 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2ccccc2Br)CC(C)(C)C1 ZINC001454586069 1066305054 /nfs/dbraw/zinc/30/50/54/1066305054.db2.gz YFSUVHDIQSRLLQ-QGZVFWFLSA-N 0 0 453.421 4.924 20 0 JJADRN C[C@H](CSC(F)(F)F)C(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC001361065958 1066305391 /nfs/dbraw/zinc/30/53/91/1066305391.db2.gz MEVMUADBSBZFIK-MRVPVSSYSA-N 0 0 455.325 4.556 20 0 JJADRN CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)co1 ZINC001443390332 1066305363 /nfs/dbraw/zinc/30/53/63/1066305363.db2.gz ZZGQDDZOFJXERZ-NTMALXAHSA-N 0 0 450.539 4.749 20 0 JJADRN Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(C(C)C)[C@H]3c3ccc(Cl)c(F)c3)c21 ZINC001443396495 1066305505 /nfs/dbraw/zinc/30/55/05/1066305505.db2.gz ZANZBBRJYIACNT-UUOWRZLLSA-N 0 0 455.961 4.926 20 0 JJADRN COC(=O)c1occc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H](C)c1ccccn1 ZINC001361066454 1066305929 /nfs/dbraw/zinc/30/59/29/1066305929.db2.gz XHRUGVMATLTXGJ-RYGJVYDSSA-N 0 0 470.472 4.956 20 0 JJADRN COC(=O)c1occc1CN(C(=O)Cc1c[nH]c2cccc(Cl)c12)[C@H](C)c1ccccn1 ZINC001361066378 1066306059 /nfs/dbraw/zinc/30/60/59/1066306059.db2.gz WIAIWDAUDXHXER-OAHLLOKOSA-N 0 0 451.910 4.928 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cnc3cc[nH]c3c2)c2ccc(Br)cc21 ZINC001454592612 1066306282 /nfs/dbraw/zinc/30/62/82/1066306282.db2.gz FVWAENWYMRBBMM-OAHLLOKOSA-N 0 0 456.340 4.801 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cc1 ZINC001454592051 1066306420 /nfs/dbraw/zinc/30/64/20/1066306420.db2.gz SSIWQICTMUFYIO-UHFFFAOYSA-N 0 0 458.599 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)(n2cccn2)CC1 ZINC001454595351 1066306791 /nfs/dbraw/zinc/30/67/91/1066306791.db2.gz OWHCLQKZXHMSLA-UHFFFAOYSA-N 0 0 458.990 4.587 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)c1 ZINC001361066719 1066306876 /nfs/dbraw/zinc/30/68/76/1066306876.db2.gz PMFUQPADVWFHLR-SZPZYZBQSA-N 0 0 483.657 4.810 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2=CCCCC2)no1 ZINC001361066874 1066306896 /nfs/dbraw/zinc/30/68/96/1066306896.db2.gz WIXKWZUUTWLMOW-FQEVSTJZSA-N 0 0 456.591 4.783 20 0 JJADRN CCCCCOc1ccc(C(=O)CCC(=O)Nc2[nH]nc3cnc(Br)cc32)cc1 ZINC001454594805 1066306854 /nfs/dbraw/zinc/30/68/54/1066306854.db2.gz NZLAFQXBXQSQNX-UHFFFAOYSA-N 0 0 459.344 4.891 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@H]2C)no1 ZINC001361066756 1066307065 /nfs/dbraw/zinc/30/70/65/1066307065.db2.gz RCTDBXIOSBWKBV-ZBFHGGJFSA-N 0 0 480.396 4.769 20 0 JJADRN O=C(NCCCCNc1ccccn1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443407205 1066307239 /nfs/dbraw/zinc/30/72/39/1066307239.db2.gz LLWGGEXVTAURGN-SHQCIBLASA-N 0 0 456.590 4.570 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)no1 ZINC001361066894 1066307213 /nfs/dbraw/zinc/30/72/13/1066307213.db2.gz XGHURJIJTPXHKC-HTAPYJJXSA-N 0 0 459.978 4.504 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCC(COc3ccccc3)CC2)cc1 ZINC001443407820 1066307524 /nfs/dbraw/zinc/30/75/24/1066307524.db2.gz NBRBBJVATWAAMD-NRFANRHFSA-N 0 0 456.384 4.600 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)OC ZINC001545958316 1066308242 /nfs/dbraw/zinc/30/82/42/1066308242.db2.gz AVHXZGLDDQNTDE-QZTJIDSGSA-N 0 0 490.555 4.862 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001361068748 1066308342 /nfs/dbraw/zinc/30/83/42/1066308342.db2.gz JYVVLGBPSBAVII-OAHLLOKOSA-N 0 0 453.402 4.950 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)c2cc(F)ccc2F)c1 ZINC001361068437 1066308393 /nfs/dbraw/zinc/30/83/93/1066308393.db2.gz KZVFMSCWZRAWPU-JOCHJYFZSA-N 0 0 453.514 4.950 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 ZINC001361069302 1066308739 /nfs/dbraw/zinc/30/87/39/1066308739.db2.gz SCKAGQYJYLDUHH-UHFFFAOYSA-N 0 0 452.561 4.570 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cs1 ZINC001361070074 1066309460 /nfs/dbraw/zinc/30/94/60/1066309460.db2.gz BKIYUYZINCGKLL-WOJBJXKFSA-N 0 0 499.656 4.964 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1)OC ZINC001545958383 1066309449 /nfs/dbraw/zinc/30/94/49/1066309449.db2.gz BULHGNYTNGPPIE-MOPGFXCFSA-N 0 0 470.570 4.639 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1)OC ZINC001545958384 1066309504 /nfs/dbraw/zinc/30/95/04/1066309504.db2.gz BULHGNYTNGPPIE-OALUTQOASA-N 0 0 470.570 4.639 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cs1 ZINC001361070157 1066309600 /nfs/dbraw/zinc/30/96/00/1066309600.db2.gz DQBOAGIWWOXQFJ-HSALFYBXSA-N 0 0 490.695 4.711 20 0 JJADRN COCCOCc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1 ZINC001454614122 1066309872 /nfs/dbraw/zinc/30/98/72/1066309872.db2.gz XWUXOPQSZYDUKB-UHFFFAOYSA-N 0 0 457.530 4.963 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC(F)C2)ccc1F ZINC001361070549 1066310066 /nfs/dbraw/zinc/31/00/66/1066310066.db2.gz PDIJLJZDMXTVIF-UHFFFAOYSA-N 0 0 464.358 4.726 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1)NC(=O)OC(C)(C)C ZINC001545958611 1066311298 /nfs/dbraw/zinc/31/12/98/1066311298.db2.gz HUMGBBRZNSMIHH-KRWDZBQOSA-N 0 0 477.034 4.995 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001454627325 1066311388 /nfs/dbraw/zinc/31/13/88/1066311388.db2.gz WDNFGXGIUVFPDD-UHFFFAOYSA-N 0 0 451.954 4.679 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cs1 ZINC001361071040 1066311673 /nfs/dbraw/zinc/31/16/73/1066311673.db2.gz CGPDTFKIXBMHAE-INIZCTEOSA-N 0 0 485.462 4.684 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(Br)C1)OC ZINC001545958677 1066311859 /nfs/dbraw/zinc/31/18/59/1066311859.db2.gz IZWIURYQMKTTAO-AWEZNQCLSA-N 0 0 488.199 4.761 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cs1 ZINC001361071673 1066312144 /nfs/dbraw/zinc/31/21/44/1066312144.db2.gz MSZCNYVVGGNETK-GOSISDBHSA-N 0 0 476.021 4.897 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)CC(=O)NC(C)C)cs1 ZINC001361071779 1066312161 /nfs/dbraw/zinc/31/21/61/1066312161.db2.gz PAYFNFUBEKOZHG-UHFFFAOYSA-N 0 0 496.862 4.740 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c(F)c1 ZINC001361071452 1066312172 /nfs/dbraw/zinc/31/21/72/1066312172.db2.gz IVGOLWIVKSOHCV-UHFFFAOYSA-N 0 0 452.507 4.904 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001454630198 1066312296 /nfs/dbraw/zinc/31/22/96/1066312296.db2.gz AARIQKFMZWICGZ-YLQAJVPDSA-N 0 0 457.796 4.927 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2nccs2)C1 ZINC001546063955 1066312312 /nfs/dbraw/zinc/31/23/12/1066312312.db2.gz GSUJTTXLKHXRQQ-DEOSSOPVSA-N 0 0 471.627 4.687 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)c2nccs2)no1 ZINC001361072101 1066312515 /nfs/dbraw/zinc/31/25/15/1066312515.db2.gz VWDFQVLAQSMVKP-NSHDSACASA-N 0 0 479.429 4.810 20 0 JJADRN CC[C@H]1[C@H](C(=O)NCCc2c3ccccc3[nH]c2C(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC001454633445 1066312371 /nfs/dbraw/zinc/31/23/71/1066312371.db2.gz PKGYMEYKUCXWIA-AEFFLSMTSA-N 0 0 453.505 4.881 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)Cc2ccc(F)cc2Cl)cc1 ZINC001443446495 1066312533 /nfs/dbraw/zinc/31/25/33/1066312533.db2.gz BUYCCDIEZRGUEL-UHFFFAOYSA-N 0 0 454.929 4.666 20 0 JJADRN O=C(CCCc1cccs1)Nc1cccc(C(=O)NCc2ccncc2Br)c1 ZINC001454636172 1066313135 /nfs/dbraw/zinc/31/31/35/1066313135.db2.gz GMOGZVKOEMODPQ-UHFFFAOYSA-N 0 0 458.381 4.797 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC001443451855 1066312990 /nfs/dbraw/zinc/31/29/90/1066312990.db2.gz PCPBGEWHJCHSAC-QGZVFWFLSA-N 0 0 452.501 4.712 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492597889 1066313367 /nfs/dbraw/zinc/31/33/67/1066313367.db2.gz HNTVVHAWXDZXSM-DVECYGJZSA-N 0 0 478.584 4.576 20 0 JJADRN CC[C@@H](OC1CCCCC1)C(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC001443454843 1066313438 /nfs/dbraw/zinc/31/34/38/1066313438.db2.gz UBRBUUJGWCQBDS-RUZDIDTESA-N 0 0 452.595 4.758 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)C1 ZINC001443453172 1066313606 /nfs/dbraw/zinc/31/36/06/1066313606.db2.gz IAQHQIQTIMPKEL-MBOZVWFJSA-N 0 0 476.568 4.729 20 0 JJADRN O=C(NCc1ccncc1Br)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001454636624 1066313626 /nfs/dbraw/zinc/31/36/26/1066313626.db2.gz KLFZAXFYEXIQEF-UHFFFAOYSA-N 0 0 453.365 4.714 20 0 JJADRN O=C(NCc1ccncc1Br)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001454636204 1066313903 /nfs/dbraw/zinc/31/39/03/1066313903.db2.gz GVXJRXGDWGSNNM-UHFFFAOYSA-N 0 0 457.111 4.648 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC001443455942 1066313755 /nfs/dbraw/zinc/31/37/55/1066313755.db2.gz LMKSOMILZHSXDU-MJGOQNOKSA-N 0 0 452.986 4.795 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001443457326 1066314241 /nfs/dbraw/zinc/31/42/41/1066314241.db2.gz MDVVVSGWBZJLDH-PMACEKPBSA-N 0 0 452.599 4.937 20 0 JJADRN CCCc1c(C(=O)NCc2ccncc2Br)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454647264 1066314177 /nfs/dbraw/zinc/31/41/77/1066314177.db2.gz QGKBZLGPBLPFDG-UHFFFAOYSA-N 0 0 456.388 4.605 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)c2)cn1 ZINC001361073335 1066314133 /nfs/dbraw/zinc/31/41/33/1066314133.db2.gz FQMPIWIFDJWNCU-PKNBQFBNSA-N 0 0 457.408 4.893 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073725 1066314498 /nfs/dbraw/zinc/31/44/98/1066314498.db2.gz OGNFYSGZWIMYDS-ZWKOTPCHSA-N 0 0 484.576 4.559 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c2ccccc21 ZINC001454651178 1066314637 /nfs/dbraw/zinc/31/46/37/1066314637.db2.gz QCMXGQREKZJINM-ZEQRLZLVSA-N 0 0 468.644 4.884 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccc(Br)cc2)no1 ZINC001361073902 1066314894 /nfs/dbraw/zinc/31/48/94/1066314894.db2.gz SERMOYYBNVMROA-UHFFFAOYSA-N 0 0 487.789 4.780 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)cs1 ZINC001361073944 1066315147 /nfs/dbraw/zinc/31/51/47/1066315147.db2.gz SWXRPTLTAYWEKA-UHFFFAOYSA-N 0 0 481.935 4.800 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)ccc1F ZINC001361074596 1066315486 /nfs/dbraw/zinc/31/54/86/1066315486.db2.gz IQIFWAWRCYVEJV-SFHVURJKSA-N 0 0 482.604 4.899 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(COC)CC1)OC ZINC001545959025 1066315565 /nfs/dbraw/zinc/31/55/65/1066315565.db2.gz OSLRTCYASZIXCJ-INIZCTEOSA-N 0 0 469.399 4.525 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C2CCC1(C)CC2)NC(=O)OC(C)(C)C ZINC001545958954 1066315752 /nfs/dbraw/zinc/31/57/52/1066315752.db2.gz NLAKSCVORDFILK-VLNJMECTSA-N 0 0 455.603 4.778 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)C1 ZINC001454654760 1066315995 /nfs/dbraw/zinc/31/59/95/1066315995.db2.gz GSFFTQVQBZAIFF-CQSZACIVSA-N 0 0 451.539 4.998 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(OC)c3)cc2)o1 ZINC001361075459 1066316129 /nfs/dbraw/zinc/31/61/29/1066316129.db2.gz FEHDRLZIVTXEGE-FQEVSTJZSA-N 0 0 452.511 4.512 20 0 JJADRN COc1cc2ncn(CCCC(=O)N(C)c3ccc(-c4ccccc4)cc3)c(=O)c2cc1OC ZINC001361076034 1066316247 /nfs/dbraw/zinc/31/62/47/1066316247.db2.gz TWPDAKZEFHDNAF-UHFFFAOYSA-N 0 0 457.530 4.524 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545959063 1066316280 /nfs/dbraw/zinc/31/62/80/1066316280.db2.gz PFOSESSWZQIOGA-IRFCIJBXSA-N 0 0 490.048 4.765 20 0 JJADRN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC001454655830 1066316308 /nfs/dbraw/zinc/31/63/08/1066316308.db2.gz NHKGJYYCCGUDGD-HNNXBMFYSA-N 0 0 459.125 4.668 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)C1 ZINC001454657214 1066316445 /nfs/dbraw/zinc/31/64/45/1066316445.db2.gz TUCKQAGSDDJESF-KRWDZBQOSA-N 0 0 452.636 4.676 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1F ZINC001361077303 1066316669 /nfs/dbraw/zinc/31/66/69/1066316669.db2.gz MWXBUIZOSWOEIH-RXVVDRJESA-N 0 0 486.592 4.769 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1F ZINC001361077301 1066316757 /nfs/dbraw/zinc/31/67/57/1066316757.db2.gz MWXBUIZOSWOEIH-GHTZIAJQSA-N 0 0 486.592 4.769 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC)C1)Oc1cccc(F)c1 ZINC001545959081 1066316778 /nfs/dbraw/zinc/31/67/78/1066316778.db2.gz PLXDGSAYAKXXGP-HKUYNNGSSA-N 0 0 492.393 4.648 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC(C)(C)C)C1 ZINC001546064226 1066317298 /nfs/dbraw/zinc/31/72/98/1066317298.db2.gz LFOZKUZTPPAXKZ-QHCPKHFHSA-N 0 0 492.462 4.647 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2CCOC2)C1 ZINC001546064256 1066317586 /nfs/dbraw/zinc/31/75/86/1066317586.db2.gz LXDKPCKLAKJKOB-QVKFZJNVSA-N 0 0 451.384 4.900 20 0 JJADRN Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H](C)c2ccco2)no1 ZINC001361077641 1066317604 /nfs/dbraw/zinc/31/76/04/1066317604.db2.gz WBXAPVJYJNXMNQ-KRWDZBQOSA-N 0 0 470.574 4.528 20 0 JJADRN Cc1ccc(Br)c2cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)[nH]c21 ZINC001443490837 1066317763 /nfs/dbraw/zinc/31/77/63/1066317763.db2.gz QUTIIJOBKZQRAZ-NRFANRHFSA-N 0 0 450.377 4.662 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cccn2)C1 ZINC001546064309 1066318237 /nfs/dbraw/zinc/31/82/37/1066318237.db2.gz MTQPOXOQURLLRU-NRFANRHFSA-N 0 0 461.383 4.760 20 0 JJADRN Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCCN(CC(F)(F)F)CC2)cs1 ZINC001361078231 1066318172 /nfs/dbraw/zinc/31/81/72/1066318172.db2.gz PIAZNUSOSDWWQT-UHFFFAOYSA-N 0 0 485.526 4.640 20 0 JJADRN Cc1cc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccc2)cs1 ZINC001361078424 1066318225 /nfs/dbraw/zinc/31/82/25/1066318225.db2.gz SSJWALIZEDXGBE-OAQYLSRUSA-N 0 0 483.638 4.641 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(C(=O)c4ccco4)c3)sc2C1 ZINC001443492726 1066318369 /nfs/dbraw/zinc/31/83/69/1066318369.db2.gz OKMUQHWVQKMIPH-UHFFFAOYSA-N 0 0 453.520 4.513 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(F)(F)F)CC1)OC ZINC001545959258 1066319022 /nfs/dbraw/zinc/31/90/22/1066319022.db2.gz SNJRILDYPUSNPN-CQSZACIVSA-N 0 0 464.330 4.630 20 0 JJADRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C ZINC001443495742 1066319075 /nfs/dbraw/zinc/31/90/75/1066319075.db2.gz GEPNZRUMPAASQF-SFHVURJKSA-N 0 0 450.583 4.957 20 0 JJADRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C ZINC001443495741 1066319166 /nfs/dbraw/zinc/31/91/66/1066319166.db2.gz GEPNZRUMPAASQF-GOSISDBHSA-N 0 0 450.583 4.957 20 0 JJADRN Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cs1 ZINC001361080543 1066319072 /nfs/dbraw/zinc/31/90/72/1066319072.db2.gz MRQUAPZAYYBBGN-SIKLNZKXSA-N 0 0 496.681 4.812 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H]2CCCCO2)C1 ZINC001546064430 1066319432 /nfs/dbraw/zinc/31/94/32/1066319432.db2.gz OTCPITDRICHBEZ-DFBJGRDBSA-N 0 0 458.603 4.557 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)NCc2ccc(C(C)(C)C)[nH]c2=O)nnc1-c1ccccc1 ZINC001454687686 1066319503 /nfs/dbraw/zinc/31/95/03/1066319503.db2.gz VCDSPAJSHVWKBY-MRXNPFEDSA-N 0 0 453.612 4.723 20 0 JJADRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C1(c2ccc(I)cc2)CC1 ZINC001443501773 1066319726 /nfs/dbraw/zinc/31/97/26/1066319726.db2.gz STYLXSLYYKPLOW-CQSZACIVSA-N 0 0 459.331 4.570 20 0 JJADRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC001443497541 1066319772 /nfs/dbraw/zinc/31/97/72/1066319772.db2.gz JATRKXKCPCOODF-ZDUSSCGKSA-N 0 0 458.385 4.616 20 0 JJADRN Cc1cc(Cn2c(CC3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cs1 ZINC001361080822 1066319778 /nfs/dbraw/zinc/31/97/78/1066319778.db2.gz DFFVEQKVFRFHAM-UHFFFAOYSA-N 0 0 459.660 4.732 20 0 JJADRN Cc1cc(-c2csc(NC(=O)c3ccnc(Cl)c3I)n2)c(C)o1 ZINC001443504276 1066320278 /nfs/dbraw/zinc/32/02/78/1066320278.db2.gz BGGBOPJJXVCVHH-UHFFFAOYSA-N 0 0 459.696 4.925 20 0 JJADRN Cc1cc(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](COC(C)C)C2)cs1 ZINC001361081013 1066320154 /nfs/dbraw/zinc/32/01/54/1066320154.db2.gz GHFABSSVEJRFNY-HSZRJFAPSA-N 0 0 454.640 4.502 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)c2ccccc2N(C)C1=O ZINC001361081558 1066320604 /nfs/dbraw/zinc/32/06/04/1066320604.db2.gz JOMZAFJHZRTXLH-JTQLQIEISA-N 0 0 459.237 4.866 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCC(F)(F)CC2)C1 ZINC001546064506 1066320569 /nfs/dbraw/zinc/32/05/69/1066320569.db2.gz QQTWMTNNEWAPJR-QHCPKHFHSA-N 0 0 495.640 4.647 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC(=O)c1cccc(Cl)c1Cl ZINC001454695068 1066320831 /nfs/dbraw/zinc/32/08/31/1066320831.db2.gz ILJTYKSOSQQYSX-UHFFFAOYSA-N 0 0 455.750 4.590 20 0 JJADRN CCc1c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)nnn1Cc1ccccc1 ZINC001361081857 1066321003 /nfs/dbraw/zinc/32/10/03/1066321003.db2.gz QERDPSLGPBTSMK-UHFFFAOYSA-N 0 0 453.262 4.922 20 0 JJADRN Cc1cc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC001361081993 1066321040 /nfs/dbraw/zinc/32/10/40/1066321040.db2.gz YNKDVSSNHTYWJN-MRXNPFEDSA-N 0 0 473.668 4.794 20 0 JJADRN C[C@H]1CN(C(=O)c2scc(Br)c2Br)c2ccccc2N(C)C1=O ZINC001361081714 1066321092 /nfs/dbraw/zinc/32/10/92/1066321092.db2.gz LFHSKNBSDYUEFS-VIFPVBQESA-N 0 0 458.175 4.532 20 0 JJADRN C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)Oc1cccc(Cl)c1 ZINC001361082376 1066321138 /nfs/dbraw/zinc/32/11/38/1066321138.db2.gz CAJVHKWFSITRTH-UAZFBGOLSA-N 0 0 451.007 4.943 20 0 JJADRN O=C(CNC(=O)c1c(O)cnc2c(Br)cccc21)c1cccc(Cl)c1Cl ZINC001454696966 1066321326 /nfs/dbraw/zinc/32/13/26/1066321326.db2.gz SFNJORGNVDFBST-UHFFFAOYSA-N 0 0 454.107 4.622 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(CC(N)=O)CC2)cs1 ZINC001361083318 1066321532 /nfs/dbraw/zinc/32/15/32/1066321532.db2.gz CBCMJWLCMIPNMD-UHFFFAOYSA-N 0 0 481.666 4.665 20 0 JJADRN Cc1cc(Cn2c(N3CCN(C(=O)CCC4CCCC4)CC3)nnc2C(C)(C)C)ccc1F ZINC001361083159 1066321688 /nfs/dbraw/zinc/32/16/88/1066321688.db2.gz AHGZZDGFRFQBSX-UHFFFAOYSA-N 0 0 455.622 4.690 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC001361082825 1066321757 /nfs/dbraw/zinc/32/17/57/1066321757.db2.gz LJVYCJPQERRTJM-DOTOQJQBSA-N 0 0 454.792 4.881 20 0 JJADRN Cc1cc(CN2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCC(C)C)CC2)no1 ZINC001361083886 1066321991 /nfs/dbraw/zinc/32/19/91/1066321991.db2.gz HBBXVBMANQSXFQ-UHFFFAOYSA-N 0 0 463.413 4.917 20 0 JJADRN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]2CC1 ZINC001443520224 1066322125 /nfs/dbraw/zinc/32/21/25/1066322125.db2.gz QLJKGCZQSIPLKS-WIVXBSKCSA-N 0 0 450.689 4.566 20 0 JJADRN Cc1cc(Cn2c(N3CCC[C@H](OC(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)ccc1F ZINC001361083951 1066322171 /nfs/dbraw/zinc/32/21/71/1066322171.db2.gz JVDZSCHYJSNCHY-HFZDXXHNSA-N 0 0 474.621 4.598 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)C1 ZINC001443520282 1066322234 /nfs/dbraw/zinc/32/22/34/1066322234.db2.gz RWLSFCUPZIOFPV-UHFFFAOYSA-N 0 0 453.511 4.997 20 0 JJADRN C[C@@H](CNC(=O)CN(C)c1nc2ccccc2s1)Sc1ccc(Br)cc1 ZINC001443526976 1066322862 /nfs/dbraw/zinc/32/28/62/1066322862.db2.gz CJJHFUNPVVZGQM-ZDUSSCGKSA-N 0 0 450.427 4.792 20 0 JJADRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001443530160 1066323267 /nfs/dbraw/zinc/32/32/67/1066323267.db2.gz FESDAZDQDCIIFR-UHFFFAOYSA-N 0 0 453.590 4.842 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 ZINC001361084925 1066323797 /nfs/dbraw/zinc/32/37/97/1066323797.db2.gz AUUBOTOHMFJBBR-GCKKQHTFSA-N 0 0 450.579 4.564 20 0 JJADRN COc1ccc(/C=C\C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1OC ZINC001454708145 1066323759 /nfs/dbraw/zinc/32/37/59/1066323759.db2.gz CNBQOATZUZFWBC-QXFGJRORSA-N 0 0 452.551 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c2ccccc21 ZINC001454711386 1066324096 /nfs/dbraw/zinc/32/40/96/1066324096.db2.gz JVGOTDPPHCXJQW-LGVFNWMJSA-N 0 0 450.579 4.822 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2cc3c(ccc(Br)c3F)[nH]2)c(OC(F)F)c1 ZINC001443531833 1066324437 /nfs/dbraw/zinc/32/44/37/1066324437.db2.gz MLTLAIQBQBHSEO-UHFFFAOYSA-N 0 0 457.202 4.710 20 0 JJADRN Cc1ccc([C@](O)(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)C(F)(F)F)o1 ZINC001443532669 1066324500 /nfs/dbraw/zinc/32/45/00/1066324500.db2.gz GKHQOQZVYDDCBK-JOCHJYFZSA-N 0 0 453.457 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)c2ccc(OCC(F)(F)F)o2)c2ccccc21 ZINC001454712890 1066324747 /nfs/dbraw/zinc/32/47/47/1066324747.db2.gz NQPKOTBLVVRWCO-CQSZACIVSA-N 0 0 454.445 4.880 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)cc2)c(C)c1C ZINC001454713401 1066324769 /nfs/dbraw/zinc/32/47/69/1066324769.db2.gz TVAZTGFWFBVBGA-SRYPRDQNSA-N 0 0 458.624 4.571 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)cc1F ZINC001361085799 1066324668 /nfs/dbraw/zinc/32/46/68/1066324668.db2.gz GHLKAVURGGNHHZ-QFIPXVFZSA-N 0 0 455.530 4.795 20 0 JJADRN CSc1cccc([C@@H](NC(=O)Cc2cnn(-c3ccccc3)n2)c2ccc(F)c(F)c2)c1 ZINC001361085806 1066324767 /nfs/dbraw/zinc/32/47/67/1066324767.db2.gz RFEIIACRTDNSSM-XMMPIXPASA-N 0 0 450.514 4.716 20 0 JJADRN CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC001443533186 1066324942 /nfs/dbraw/zinc/32/49/42/1066324942.db2.gz APDVMIXZBFRFPH-SNVBAGLBSA-N 0 0 451.759 4.705 20 0 JJADRN CC(C)c1cccc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)n1 ZINC001361086302 1066325130 /nfs/dbraw/zinc/32/51/30/1066325130.db2.gz MGYBOHJKJOBLHM-UHFFFAOYSA-N 0 0 458.381 4.976 20 0 JJADRN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)C[C@@H]3CCCC3(F)F)cc2)s1 ZINC001361086887 1066325242 /nfs/dbraw/zinc/32/52/42/1066325242.db2.gz UBCAMQRJZHLFPV-LBPRGKRZSA-N 0 0 457.340 4.969 20 0 JJADRN CC[C@@](O)(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(Cl)c1 ZINC001454714652 1066325211 /nfs/dbraw/zinc/32/52/11/1066325211.db2.gz RCGWXMNUTIXXKY-NSYGIPOTSA-N 0 0 458.986 4.983 20 0 JJADRN Cc1nc2cc(F)c(F)cc2n1CC(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC001443534392 1066325370 /nfs/dbraw/zinc/32/53/70/1066325370.db2.gz ZAOQKTXVNPEZHB-NSHDSACASA-N 0 0 454.340 4.682 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001361087225 1066325424 /nfs/dbraw/zinc/32/54/24/1066325424.db2.gz CLHPRSDWRFBPIG-PMACEKPBSA-N 0 0 483.060 4.853 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1COC ZINC001454715954 1066325760 /nfs/dbraw/zinc/32/57/60/1066325760.db2.gz JQJNDJMWOBQOEX-CEYNDMKZSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001361087224 1066325782 /nfs/dbraw/zinc/32/57/82/1066325782.db2.gz CLHPRSDWRFBPIG-BGYRXZFFSA-N 0 0 483.060 4.853 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccc(OC)cc2)C1 ZINC001546064772 1066325820 /nfs/dbraw/zinc/32/58/20/1066325820.db2.gz VUTOPFLBMHUDCY-FTJBHMTQSA-N 0 0 456.631 4.587 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)C1 ZINC001546064737 1066326028 /nfs/dbraw/zinc/32/60/28/1066326028.db2.gz VJAMSRJAZZQLOU-VGOFRKELSA-N 0 0 461.404 4.688 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)(F)C2)n1Cc1cnn(C)c1 ZINC001361087307 1066326276 /nfs/dbraw/zinc/32/62/76/1066326276.db2.gz GILIMNBZODREQQ-UHFFFAOYSA-N 0 0 478.975 4.515 20 0 JJADRN CCOC(=O)[C@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 ZINC001443537968 1066326786 /nfs/dbraw/zinc/32/67/86/1066326786.db2.gz BCLKFIHJNKGMGV-DEOSSOPVSA-N 0 0 457.530 4.562 20 0 JJADRN CC(C)c1ccc(-c2csc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)n2)c(C(C)C)c1 ZINC001443537285 1066326802 /nfs/dbraw/zinc/32/68/02/1066326802.db2.gz IRDIFTDRBWPLLL-UHFFFAOYSA-N 0 0 454.596 4.764 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2ccccn2)C1 ZINC001546064843 1066326857 /nfs/dbraw/zinc/32/68/57/1066326857.db2.gz XIVWAJGQJQRMBF-NRFANRHFSA-N 0 0 458.408 4.559 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 ZINC001443541195 1066327042 /nfs/dbraw/zinc/32/70/42/1066327042.db2.gz LRTHASISFBDUAB-UHFFFAOYSA-N 0 0 456.546 4.667 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCc1ccncc1 ZINC001361087675 1066327241 /nfs/dbraw/zinc/32/72/41/1066327241.db2.gz AAFBJGPZLMJEOJ-FQEVSTJZSA-N 0 0 484.044 4.893 20 0 JJADRN C[C@@H](C(=O)N1CCN(c2ccc(F)cc2F)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454729797 1066327316 /nfs/dbraw/zinc/32/73/16/1066327316.db2.gz ZRBYVAPFAUBNKX-VGOFRKELSA-N 0 0 459.537 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1CNC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001454730755 1066327395 /nfs/dbraw/zinc/32/73/95/1066327395.db2.gz LFHKKCMBXLGFIN-AWEZNQCLSA-N 0 0 455.386 4.797 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCO2)n1CC1CC(F)(F)C1 ZINC001361087526 1066327387 /nfs/dbraw/zinc/32/73/87/1066327387.db2.gz NBHBORHMAFHXEQ-LJQANCHMSA-N 0 0 468.976 4.912 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCCCC2)n1CC[C@@H]1COCCO1 ZINC001361087656 1066327405 /nfs/dbraw/zinc/32/74/05/1066327405.db2.gz NUPFOPKHGSJSNJ-JOCHJYFZSA-N 0 0 477.049 4.826 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)Cc2cnn(C)c2)n1C[C@H]1CCCS1 ZINC001361087550 1066327489 /nfs/dbraw/zinc/32/74/89/1066327489.db2.gz NNWZAUAASSRFEV-HXUWFJFHSA-N 0 0 475.062 4.517 20 0 JJADRN CC(C)c1nn(C)c2sc(C(=O)N(C)C[C@@H](O)COc3cc(Cl)cc(Cl)c3)cc12 ZINC001454734066 1066328283 /nfs/dbraw/zinc/32/82/83/1066328283.db2.gz DARJLAIBWJNCSG-CQSZACIVSA-N 0 0 456.395 4.577 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(C)(C)O ZINC001361087957 1066328279 /nfs/dbraw/zinc/32/82/79/1066328279.db2.gz DHWGAWFFYVHVBO-MRXNPFEDSA-N 0 0 474.955 4.801 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)ccc1Br ZINC001454733410 1066328536 /nfs/dbraw/zinc/32/85/36/1066328536.db2.gz PVKZIBWWQOQMMQ-OAHLLOKOSA-N 0 0 455.393 4.613 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c2ccc(F)cc2)cc1 ZINC001361087856 1066328633 /nfs/dbraw/zinc/32/86/33/1066328633.db2.gz FPFUKYBDVVYVFQ-XMMPIXPASA-N 0 0 453.535 4.537 20 0 JJADRN Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(Cl)c1 ZINC001443567919 1066329267 /nfs/dbraw/zinc/32/92/67/1066329267.db2.gz KBKUBEIYIMLIAC-XMMPIXPASA-N 0 0 450.941 4.714 20 0 JJADRN Cc1cccc(CC(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c1Br ZINC001454737934 1066329456 /nfs/dbraw/zinc/32/94/56/1066329456.db2.gz WZEABDROKNQPQR-KRWDZBQOSA-N 0 0 453.421 4.842 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC001443569652 1066329372 /nfs/dbraw/zinc/32/93/72/1066329372.db2.gz QUWBUYCBIMOUSQ-YWPYICTPSA-N 0 0 457.474 4.636 20 0 JJADRN CCc1ccc([C@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC001443571845 1066329799 /nfs/dbraw/zinc/32/97/99/1066329799.db2.gz TVYONTXPYFJCCW-DCFHFQCYSA-N 0 0 458.577 4.804 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CCCCCC1 ZINC001454741039 1066330070 /nfs/dbraw/zinc/33/00/70/1066330070.db2.gz SEOYFMLBONBANO-NJYVYQBISA-N 0 0 452.542 4.775 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCO2)n1C[C@H]1CCO[C@H](C)C1 ZINC001361088200 1066330116 /nfs/dbraw/zinc/33/01/16/1066330116.db2.gz SZAVWRSXYOSHNL-RZUBCFFCSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCCC(=O)N(C)C ZINC001361088287 1066330170 /nfs/dbraw/zinc/33/01/70/1066330170.db2.gz HMULLIRQQOCHKR-AZUAARDMSA-N 0 0 476.065 4.602 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](COC)OC)C1 ZINC001546064963 1066330519 /nfs/dbraw/zinc/33/05/19/1066330519.db2.gz ZVOJIUKEQWABSD-CYFREDJKSA-N 0 0 455.628 4.665 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@H]2CCOC2)n1CC1CC(F)(F)C1 ZINC001361088534 1066331190 /nfs/dbraw/zinc/33/11/90/1066331190.db2.gz XBIIYWHSOHSIOA-SFHVURJKSA-N 0 0 454.949 4.522 20 0 JJADRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001443578968 1066331349 /nfs/dbraw/zinc/33/13/49/1066331349.db2.gz ZYBSZAMVHMAXPO-XWFZLUIHSA-N 0 0 459.537 4.562 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)C2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001361088563 1066331582 /nfs/dbraw/zinc/33/15/82/1066331582.db2.gz XHVAAXPQHDTOBA-IFLJIVDFSA-N 0 0 479.040 4.987 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)NC(=O)OC(C)(C)C)cc1 ZINC001443581734 1066331631 /nfs/dbraw/zinc/33/16/31/1066331631.db2.gz FLUIKGKONPYFJN-QYZOEREBSA-N 0 0 458.521 4.992 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CC1([S@](C)=O)CCC1 ZINC001361088625 1066332036 /nfs/dbraw/zinc/33/20/36/1066332036.db2.gz KGWVGVMJKKDZIZ-UPTQXZAWSA-N 0 0 479.090 4.789 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@]1(C)CN(C)C1=O ZINC001361088670 1066332054 /nfs/dbraw/zinc/33/20/54/1066332054.db2.gz XXEUZVZHNQNISR-AVRWGWEMSA-N 0 0 486.016 4.520 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc([C@H](O)C(F)(F)F)cc3)CCCC2)c1 ZINC001454766780 1066331918 /nfs/dbraw/zinc/33/19/18/1066331918.db2.gz JZVONIFTUUYOQP-IBGZPJMESA-N 0 0 455.498 4.624 20 0 JJADRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001443583003 1066332504 /nfs/dbraw/zinc/33/25/04/1066332504.db2.gz GZPSIMJAGAKILT-LJQANCHMSA-N 0 0 456.587 4.733 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC001454771225 1066332373 /nfs/dbraw/zinc/33/23/73/1066332373.db2.gz PEYSLUAXCVHPRI-UHFFFAOYSA-N 0 0 454.552 4.815 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)(C)C)o3)c2)cc1 ZINC001454771665 1066332392 /nfs/dbraw/zinc/33/23/92/1066332392.db2.gz BYVDILKQYJDVPT-UHFFFAOYSA-N 0 0 456.564 4.707 20 0 JJADRN C[C@H]1c2ccc(C(=O)Nc3ccc([C@@H](O)C(F)(F)F)cc3)n2CCN1C(=O)OC(C)(C)C ZINC001454767376 1066332615 /nfs/dbraw/zinc/33/26/15/1066332615.db2.gz HKXBOSADNKVDTM-SCLBCKFNSA-N 0 0 453.461 4.648 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCCOCC2)sc1C ZINC001361088872 1066333014 /nfs/dbraw/zinc/33/30/14/1066333014.db2.gz MOMLGFBGOSHGPR-UHFFFAOYSA-N 0 0 476.046 4.600 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2C[C@H](O)CC(C)(C)C2)c1=S ZINC001454778392 1066333438 /nfs/dbraw/zinc/33/34/38/1066333438.db2.gz KEEJBWCECTVLFR-GOSISDBHSA-N 0 0 451.036 4.544 20 0 JJADRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3ccccc3Oc3cccnc3)CC2)n1 ZINC001454780928 1066333665 /nfs/dbraw/zinc/33/36/65/1066333665.db2.gz LABDHBCBHODYRG-UHFFFAOYSA-N 0 0 451.592 4.838 20 0 JJADRN O=C(NCc1c(Cl)cccc1OC(F)F)c1c(O)cnc2c(Br)cccc21 ZINC001454789890 1066333843 /nfs/dbraw/zinc/33/38/43/1066333843.db2.gz SFCLLWJRQBCIQY-UHFFFAOYSA-N 0 0 457.658 4.888 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCOC(C)(C)C ZINC001361089067 1066334185 /nfs/dbraw/zinc/33/41/85/1066334185.db2.gz PIVCKZCEWLPHMC-LEWJYISDSA-N 0 0 491.076 4.929 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443593771 1066334579 /nfs/dbraw/zinc/33/45/79/1066334579.db2.gz WVMDYIDUAIEHEL-ZPHJMFTNSA-N 0 0 451.405 4.653 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545960427 1066334639 /nfs/dbraw/zinc/33/46/39/1066334639.db2.gz CQVXUEKXOOMXCX-CTNGQTDRSA-N 0 0 487.645 4.510 20 0 JJADRN COc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl ZINC001454813069 1066334586 /nfs/dbraw/zinc/33/45/86/1066334586.db2.gz INPNUTQEPSGYGF-OAQYLSRUSA-N 0 0 459.970 4.728 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1[C@@H]1C[C@H]1C(C)C ZINC001361089078 1066334479 /nfs/dbraw/zinc/33/44/79/1066334479.db2.gz PKBUINMFZLHMON-SESVDKBCSA-N 0 0 474.049 4.560 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N(C)CCc3ccc(Br)cc3)[nH]n2)c1C ZINC001443592337 1066334783 /nfs/dbraw/zinc/33/47/83/1066334783.db2.gz OTEKVLCDUHJUCY-UHFFFAOYSA-N 0 0 458.404 4.767 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCCC(C)C ZINC001361089224 1066334774 /nfs/dbraw/zinc/33/47/74/1066334774.db2.gz QWEVSQQFUBSQAN-UHFFFAOYSA-N 0 0 488.076 4.794 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001454824016 1066335036 /nfs/dbraw/zinc/33/50/36/1066335036.db2.gz VPMYFLLDDUBJQK-MHHVOYGZSA-N 0 0 450.579 4.789 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001454824017 1066335133 /nfs/dbraw/zinc/33/51/33/1066335133.db2.gz VPMYFLLDDUBJQK-NZRJUOQRSA-N 0 0 450.579 4.789 20 0 JJADRN CCN(C(=O)c1coc(Sc2ncccn2)n1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443599154 1066335196 /nfs/dbraw/zinc/33/51/96/1066335196.db2.gz KCUIENQIRWPOTR-LJQANCHMSA-N 0 0 453.474 4.541 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccc(F)cc2)cc1 ZINC001361089301 1066335212 /nfs/dbraw/zinc/33/52/12/1066335212.db2.gz YBOSLZFYKOAJMR-MHECFPHRSA-N 0 0 452.913 4.746 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@]1(O)CCSC1 ZINC001361089230 1066335256 /nfs/dbraw/zinc/33/52/56/1066335256.db2.gz QYHNAKWXGPORBN-QZTZHPFYSA-N 0 0 479.090 4.602 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001443600194 1066335753 /nfs/dbraw/zinc/33/57/53/1066335753.db2.gz GKZIUPPZXUEWHY-RCDICMHDSA-N 0 0 451.539 4.784 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC001443603493 1066335809 /nfs/dbraw/zinc/33/58/09/1066335809.db2.gz UAEOXGYGKHOWGO-MRXNPFEDSA-N 0 0 456.543 4.502 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CCC(=O)NC(C)C ZINC001361089514 1066336091 /nfs/dbraw/zinc/33/60/91/1066336091.db2.gz WIQQKDVBCMIKQX-ICSRJNTNSA-N 0 0 476.065 4.791 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCc3sccc3C2)n1CC(C)(C)O ZINC001361089528 1066336245 /nfs/dbraw/zinc/33/62/45/1066336245.db2.gz WRKDWPRPZWZIOJ-UHFFFAOYSA-N 0 0 461.031 4.647 20 0 JJADRN CCN(C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443605240 1066336803 /nfs/dbraw/zinc/33/68/03/1066336803.db2.gz PQZLUCXPUVMMOD-RTWAWAEBSA-N 0 0 455.986 4.930 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1CC(=O)NC(C)C ZINC001361089601 1066336864 /nfs/dbraw/zinc/33/68/64/1066336864.db2.gz YGAIVGUTAIUBAM-SFTDATJTSA-N 0 0 488.076 4.793 20 0 JJADRN O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC001443614675 1066337717 /nfs/dbraw/zinc/33/77/17/1066337717.db2.gz DIPHXJIBXBKFSU-TZIWHRDSSA-N 0 0 459.359 4.565 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C)C2)n1C[C@@H](C)c1nccs1 ZINC001361090072 1066337812 /nfs/dbraw/zinc/33/78/12/1066337812.db2.gz AEDIYYHHIRBZNZ-MSOLQXFVSA-N 0 0 476.046 4.737 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C2CCC2)C1 ZINC001546066001 1066338121 /nfs/dbraw/zinc/33/81/21/1066338121.db2.gz FALGEZWSMMMYNP-XMMPIXPASA-N 0 0 460.022 4.540 20 0 JJADRN COc1cc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1O ZINC001443618543 1066338366 /nfs/dbraw/zinc/33/83/66/1066338366.db2.gz IZXRUVSRNMASDM-JOCHJYFZSA-N 0 0 451.567 4.730 20 0 JJADRN Nc1c(F)cc(F)cc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001443620657 1066338459 /nfs/dbraw/zinc/33/84/59/1066338459.db2.gz RGMCQSRFTHCPIP-QFIPXVFZSA-N 0 0 456.537 4.876 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2ccc(Br)c(C)n2)c1 ZINC001361090276 1066338515 /nfs/dbraw/zinc/33/85/15/1066338515.db2.gz DZPOIMDNBSHNPR-UHFFFAOYSA-N 0 0 451.214 4.693 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N3CCC(NC(=O)OCc4ccccc4)CC3)c2)cn1 ZINC001454883590 1066338604 /nfs/dbraw/zinc/33/86/04/1066338604.db2.gz CHVFLYIZXVMYOF-UHFFFAOYSA-N 0 0 459.546 4.500 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001546066042 1066338656 /nfs/dbraw/zinc/33/86/56/1066338656.db2.gz FQXDTKMFFUGDLC-PPHZAIPVSA-N 0 0 473.506 4.943 20 0 JJADRN CCC(CC)(C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)c1ccc(Cl)cc1 ZINC001443627832 1066338950 /nfs/dbraw/zinc/33/89/50/1066338950.db2.gz ZIXXKTPSYTUCTC-UHFFFAOYSA-N 0 0 459.015 4.854 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)c1cc(=O)c2ccccc2n1C)C1CC1 ZINC001443623691 1066339007 /nfs/dbraw/zinc/33/90/07/1066339007.db2.gz ZZZZFRPEWKIAKS-UHFFFAOYSA-N 0 0 455.352 4.505 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)s1 ZINC001454889989 1066339436 /nfs/dbraw/zinc/33/94/36/1066339436.db2.gz ODYBGJZFWYNNAY-UHFFFAOYSA-N 0 0 450.560 4.955 20 0 JJADRN CCn1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)c(C)n1 ZINC001443628627 1066339581 /nfs/dbraw/zinc/33/95/81/1066339581.db2.gz DCMSQZDESZFBMO-UHFFFAOYSA-N 0 0 455.356 4.779 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC(F)C1)OC ZINC001545960605 1066339635 /nfs/dbraw/zinc/33/96/35/1066339635.db2.gz HAWAHGKBULBSIY-PESDSKBTSA-N 0 0 459.791 4.970 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)C1 ZINC001546066116 1066339819 /nfs/dbraw/zinc/33/98/19/1066339819.db2.gz HDHYNYFLZVOWOL-JOCHJYFZSA-N 0 0 452.430 4.601 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 ZINC001454897081 1066340308 /nfs/dbraw/zinc/34/03/08/1066340308.db2.gz YTCQJVLCPPZTIK-OALUTQOASA-N 0 0 453.583 4.987 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CC=CCC1 ZINC001361091146 1066340419 /nfs/dbraw/zinc/34/04/19/1066340419.db2.gz NIBIAFHNEJRXTP-FQEVSTJZSA-N 0 0 494.030 4.995 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2ccnc(O[C@H]3CCOC3)c2)c2ccccc2Cl)c(C)c1 ZINC001361091046 1066340519 /nfs/dbraw/zinc/34/05/19/1066340519.db2.gz MNODTIJPBMUDFD-YADARESESA-N 0 0 452.938 4.739 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccnc(O[C@H]3CCOC3)c2)c2ccccc2Cl)c(C)c1 ZINC001361091040 1066340581 /nfs/dbraw/zinc/34/05/81/1066340581.db2.gz MNODTIJPBMUDFD-CYFREDJKSA-N 0 0 452.938 4.739 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC001361091264 1066340815 /nfs/dbraw/zinc/34/08/15/1066340815.db2.gz WYMAFFPTVZDUIL-NRFANRHFSA-N 0 0 451.613 4.915 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC001361091317 1066340913 /nfs/dbraw/zinc/34/09/13/1066340913.db2.gz PBEPUDNNIZHGNJ-LBPRGKRZSA-N 0 0 454.474 4.511 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001361091597 1066340964 /nfs/dbraw/zinc/34/09/64/1066340964.db2.gz RKPLBYPGNKYEOI-CQSZACIVSA-N 0 0 456.406 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)C1 ZINC001443635234 1066341296 /nfs/dbraw/zinc/34/12/96/1066341296.db2.gz YALSINAHOHDVEL-CLOONOSVSA-N 0 0 450.579 4.864 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@@H](C)C2)n1CC1=CCCOC1 ZINC001361092066 1066342545 /nfs/dbraw/zinc/34/25/45/1066342545.db2.gz ZIKAFANURATWIU-SFHVURJKSA-N 0 0 463.047 4.540 20 0 JJADRN C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001454922323 1066342750 /nfs/dbraw/zinc/34/27/50/1066342750.db2.gz MYXYUUANQGQBPN-HIFRSBDPSA-N 0 0 450.687 4.889 20 0 JJADRN C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC001454922329 1066342788 /nfs/dbraw/zinc/34/27/88/1066342788.db2.gz MYXYUUANQGQBPN-UKRRQHHQSA-N 0 0 450.687 4.889 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCC(F)(F)C1)CC2 ZINC001361092139 1066343038 /nfs/dbraw/zinc/34/30/38/1066343038.db2.gz ZSJWLYKQAAXPDT-QGZVFWFLSA-N 0 0 463.548 4.642 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454935028 1066344026 /nfs/dbraw/zinc/34/40/26/1066344026.db2.gz SNDPSLNBESCCRW-LBPRGKRZSA-N 0 0 459.390 4.560 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cnn1-c1ccc(F)cc1 ZINC001361093590 1066343825 /nfs/dbraw/zinc/34/38/25/1066343825.db2.gz MNWBEUDHRXBFOZ-SFHVURJKSA-N 0 0 456.949 4.635 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@@](F)(c4ccccc4)C3)c2)cc1 ZINC001454940966 1066344376 /nfs/dbraw/zinc/34/43/76/1066344376.db2.gz ZBQFSXWNZVVAAJ-VWLOTQADSA-N 0 0 452.551 4.897 20 0 JJADRN C[C@@H](Cc1cncc2ccccc21)C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454940216 1066344492 /nfs/dbraw/zinc/34/44/92/1066344492.db2.gz ZVDHJMVEIQPIGA-FUHWJXTLSA-N 0 0 455.480 4.612 20 0 JJADRN Cc1cc(F)ccc1CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001361094615 1066345085 /nfs/dbraw/zinc/34/50/85/1066345085.db2.gz FFYSGBNOLGSGCR-JOCHJYFZSA-N 0 0 483.657 4.752 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546066850 1066345073 /nfs/dbraw/zinc/34/50/73/1066345073.db2.gz WLDBRNJKHSMHBM-HSZRJFAPSA-N 0 0 490.530 4.640 20 0 JJADRN Cc1cc(F)ccc1CCn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001361094951 1066345533 /nfs/dbraw/zinc/34/55/33/1066345533.db2.gz OSBDYSOZZVIFQB-GOSISDBHSA-N 0 0 457.594 4.681 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001361095616 1066346011 /nfs/dbraw/zinc/34/60/11/1066346011.db2.gz XKUYMMCPHRCDRC-SIBVEZHUSA-N 0 0 471.621 4.660 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001361095807 1066346273 /nfs/dbraw/zinc/34/62/73/1066346273.db2.gz PPPXDEMYBWFLBA-JXYHXMIBSA-N 0 0 471.621 4.974 20 0 JJADRN CCN(C(=O)[C@@H](O)c1cccc(Br)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443669012 1066346542 /nfs/dbraw/zinc/34/65/42/1066346542.db2.gz CAEBCSYQZKDEAA-YADHBBJMSA-N 0 0 457.343 4.963 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H]3SCCc4ccccc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454966877 1066347068 /nfs/dbraw/zinc/34/70/68/1066347068.db2.gz ZHKZOPGEEGKXRU-YTFSRNRJSA-N 0 0 468.619 4.545 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(F)cc4cccnc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454965809 1066347141 /nfs/dbraw/zinc/34/71/41/1066347141.db2.gz UPYOHHNOYBQBBK-FCHUYYIVSA-N 0 0 465.525 4.515 20 0 JJADRN CC(C)[C@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001361096793 1066347308 /nfs/dbraw/zinc/34/73/08/1066347308.db2.gz POECFMRQPZPTAZ-VKJFTORMSA-N 0 0 457.409 4.518 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1)OC ZINC001545960942 1066347728 /nfs/dbraw/zinc/34/77/28/1066347728.db2.gz MCRZEXUVUCOQQN-KGLIPLIRSA-N 0 0 473.362 4.623 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1)OC ZINC001545960941 1066347790 /nfs/dbraw/zinc/34/77/90/1066347790.db2.gz MCRZEXUVUCOQQN-KBPBESRZSA-N 0 0 473.362 4.623 20 0 JJADRN Cc1ccc(/C=C\CC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001361097236 1066347755 /nfs/dbraw/zinc/34/77/55/1066347755.db2.gz ZURPKMMLFUCKNG-ADNUHSQQSA-N 0 0 455.526 4.986 20 0 JJADRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC001443679929 1066348941 /nfs/dbraw/zinc/34/89/41/1066348941.db2.gz WRENZVRKEXBJFV-UHFFFAOYSA-N 0 0 455.562 4.780 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(F)cc2I)c1 ZINC001454983162 1066349363 /nfs/dbraw/zinc/34/93/63/1066349363.db2.gz YMHRMUYIQDURRO-UHFFFAOYSA-N 0 0 457.239 4.997 20 0 JJADRN CC[C@@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1cccc(OC)c1OC ZINC001454980013 1066349399 /nfs/dbraw/zinc/34/93/99/1066349399.db2.gz UMNAPPOJTDTDQX-AEFFLSMTSA-N 0 0 459.543 4.645 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2cccs2)c1 ZINC001361100145 1066349911 /nfs/dbraw/zinc/34/99/11/1066349911.db2.gz YGDXGIISIPPPJU-UHFFFAOYSA-N 0 0 485.411 4.604 20 0 JJADRN Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001443685935 1066349845 /nfs/dbraw/zinc/34/98/45/1066349845.db2.gz GTFYZIVPBOJBND-PZJWPPBQSA-N 0 0 452.507 4.573 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC001443684884 1066349973 /nfs/dbraw/zinc/34/99/73/1066349973.db2.gz YPHGZTFPBVVOLD-QGZVFWFLSA-N 0 0 459.019 4.505 20 0 JJADRN O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](CF)c1ccc(F)cc1 ZINC001454993437 1066350055 /nfs/dbraw/zinc/35/00/55/1066350055.db2.gz MGZFDQSZRPZQHU-DEOSSOPVSA-N 0 0 450.485 4.881 20 0 JJADRN CN(CC1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1)C(=O)OC(C)(C)C ZINC001443685455 1066350004 /nfs/dbraw/zinc/35/00/04/1066350004.db2.gz IZLXIIIYEURNPZ-UHFFFAOYSA-N 0 0 458.422 4.502 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001454999681 1066350712 /nfs/dbraw/zinc/35/07/12/1066350712.db2.gz GFCTUXQOPFOQGO-IEBWSBKVSA-N 0 0 450.530 4.849 20 0 JJADRN CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ccon1)NC(=O)OC(C)(C)C ZINC001545961137 1066351032 /nfs/dbraw/zinc/35/10/32/1066351032.db2.gz PJWKPYVCWULXIQ-KRWDZBQOSA-N 0 0 466.542 4.619 20 0 JJADRN Cc1cccc(F)c1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001361102428 1066351448 /nfs/dbraw/zinc/35/14/48/1066351448.db2.gz RIWWCRNTKJFKEL-SFHVURJKSA-N 0 0 451.336 4.779 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361102037 1066351496 /nfs/dbraw/zinc/35/14/96/1066351496.db2.gz WHTURHKZNSDYDA-HRFSGMKKSA-N 0 0 495.624 4.970 20 0 JJADRN Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)n1 ZINC001361102721 1066352180 /nfs/dbraw/zinc/35/21/80/1066352180.db2.gz CXAUEMPYNKUSSW-UHFFFAOYSA-N 0 0 472.012 4.791 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)c2cccc(C)c2)c(C)o1 ZINC001361103055 1066352639 /nfs/dbraw/zinc/35/26/39/1066352639.db2.gz PLWIJBDWVVRMBF-DEOSSOPVSA-N 0 0 451.596 4.828 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N(C)c2cccc(C)c2)c(C)o1 ZINC001361103056 1066352689 /nfs/dbraw/zinc/35/26/89/1066352689.db2.gz PLWIJBDWVVRMBF-XMMPIXPASA-N 0 0 451.596 4.828 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC(=O)c3ccccc32)CC1 ZINC001443699037 1066352733 /nfs/dbraw/zinc/35/27/33/1066352733.db2.gz KGBSBAXXWVHXJN-FCHUYYIVSA-N 0 0 455.396 4.805 20 0 JJADRN CC(C)N(CCCNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)C(=O)OC(C)(C)C ZINC001443698343 1066352820 /nfs/dbraw/zinc/35/28/20/1066352820.db2.gz TTYVCCLQCSBYAY-UQBPGWFLSA-N 0 0 467.651 4.708 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccccn3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001361102875 1066352810 /nfs/dbraw/zinc/35/28/10/1066352810.db2.gz IPKHQORCNZFLJP-UHFFFAOYSA-N 0 0 450.587 4.645 20 0 JJADRN COc1cc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)ccc1OCc1ccccc1Cl ZINC001455009663 1066352930 /nfs/dbraw/zinc/35/29/30/1066352930.db2.gz NFQWNVLNOBRKNJ-UHFFFAOYSA-N 0 0 458.986 4.648 20 0 JJADRN COC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1cccc(Br)c1 ZINC001455008821 1066352949 /nfs/dbraw/zinc/35/29/49/1066352949.db2.gz VNOZIRIWVNGDEX-SJORKVTESA-N 0 0 457.409 4.582 20 0 JJADRN CC[C@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)n1 ZINC001455009932 1066353542 /nfs/dbraw/zinc/35/35/42/1066353542.db2.gz OSGRXYLBGCCSJG-SFHVURJKSA-N 0 0 453.564 4.929 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC001361104787 1066353705 /nfs/dbraw/zinc/35/37/05/1066353705.db2.gz SXONLYAWLLZLFD-LBPRGKRZSA-N 0 0 450.158 4.870 20 0 JJADRN Cc1ccc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3CNS(C)(=O)=O)c2c1 ZINC001455032107 1066354549 /nfs/dbraw/zinc/35/45/49/1066354549.db2.gz QLFZAHJDMRPSGE-UHFFFAOYSA-N 0 0 451.573 4.573 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 ZINC001361105616 1066354795 /nfs/dbraw/zinc/35/47/95/1066354795.db2.gz QBJSUFZJUJTAMO-SFHVURJKSA-N 0 0 496.729 4.984 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CC(C)C)CC2)nc(C(C)C)n1 ZINC001361105822 1066355085 /nfs/dbraw/zinc/35/50/85/1066355085.db2.gz YJBLTFZQHUESIL-UHFFFAOYSA-N 0 0 498.473 4.912 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)CC2)nc(C(C)C)n1 ZINC001361105849 1066355136 /nfs/dbraw/zinc/35/51/36/1066355136.db2.gz ZSDSEKRALGFKGS-UHFFFAOYSA-N 0 0 471.694 4.620 20 0 JJADRN O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NCC(=O)c1ccc(F)c2ccccc12 ZINC001455041774 1066355143 /nfs/dbraw/zinc/35/51/43/1066355143.db2.gz JOXYBOLHMWTBHO-AREMUKBSSA-N 0 0 457.501 4.981 20 0 JJADRN CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001443709318 1066355381 /nfs/dbraw/zinc/35/53/81/1066355381.db2.gz JKEPWIBHHSOVRW-UHFFFAOYSA-N 0 0 458.511 4.595 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361106828 1066356091 /nfs/dbraw/zinc/35/60/91/1066356091.db2.gz IFUHUNZKLZCACQ-FPOVZHCZSA-N 0 0 469.630 4.815 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)CCOc3ccc4ccccc4c3)CC2)nc1C ZINC001455057192 1066356430 /nfs/dbraw/zinc/35/64/30/1066356430.db2.gz SQDUIUDUVWNFDF-UHFFFAOYSA-N 0 0 452.576 4.957 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2cc(Cl)ccc2SC(C)C)c1C ZINC001443716926 1066356431 /nfs/dbraw/zinc/35/64/31/1066356431.db2.gz GNBGKEYPDJZNHP-UHFFFAOYSA-N 0 0 455.045 4.991 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001361108296 1066356893 /nfs/dbraw/zinc/35/68/93/1066356893.db2.gz VRQGNDPRTOPXPQ-IBGZPJMESA-N 0 0 457.619 4.671 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001455067932 1066357326 /nfs/dbraw/zinc/35/73/26/1066357326.db2.gz URMIDPZYWSOCTF-XLIONFOSSA-N 0 0 461.743 4.594 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001361108379 1066357404 /nfs/dbraw/zinc/35/74/04/1066357404.db2.gz XDAGJYQWMDJDDA-PMACEKPBSA-N 0 0 457.619 4.623 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC001443725095 1066357501 /nfs/dbraw/zinc/35/75/01/1066357501.db2.gz AKJRGFCUVDCDBD-HNNXBMFYSA-N 0 0 451.405 4.633 20 0 JJADRN COc1ccc(Oc2ccc(C(=O)N3CCN([C@H](C)c4ccc(F)cc4F)CC3)nc2)cc1 ZINC001443724634 1066357526 /nfs/dbraw/zinc/35/75/26/1066357526.db2.gz CGRWEEWKTRKAEJ-QGZVFWFLSA-N 0 0 453.489 4.680 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)c2)c(C)c1 ZINC001443724985 1066357616 /nfs/dbraw/zinc/35/76/16/1066357616.db2.gz ABEANQQSFLSESC-GOSISDBHSA-N 0 0 453.583 4.831 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361108482 1066357458 /nfs/dbraw/zinc/35/74/58/1066357458.db2.gz ZHODHWGWHSSSNR-KNKQGSTJSA-N 0 0 469.630 4.671 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361108484 1066357547 /nfs/dbraw/zinc/35/75/47/1066357547.db2.gz ZHODHWGWHSSSNR-WOIUINJBSA-N 0 0 469.630 4.671 20 0 JJADRN COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CC2)c1 ZINC001443726052 1066357930 /nfs/dbraw/zinc/35/79/30/1066357930.db2.gz DOSBDDRQBKWFIN-HNNXBMFYSA-N 0 0 455.908 4.842 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546068340 1066358021 /nfs/dbraw/zinc/35/80/21/1066358021.db2.gz MYQKBFJFKHNQDN-RUZDIDTESA-N 0 0 453.587 4.932 20 0 JJADRN CN(C[C@H]1CCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1)C(=O)OC(C)(C)C ZINC001443728139 1066358361 /nfs/dbraw/zinc/35/83/61/1066358361.db2.gz HZGJKQDWCHEQHI-CQSZACIVSA-N 0 0 453.461 4.689 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](F)C2)c1 ZINC001361110022 1066358807 /nfs/dbraw/zinc/35/88/07/1066358807.db2.gz LHZWCAILPYJZFM-WAGURGNTSA-N 0 0 487.620 4.920 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](C)Nc2ccnn21 ZINC001443729499 1066358920 /nfs/dbraw/zinc/35/89/20/1066358920.db2.gz PKUSMACDIXDOHQ-FGBSKUFISA-N 0 0 455.361 4.701 20 0 JJADRN CC1(C)CC[C@H](NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001455085100 1066359053 /nfs/dbraw/zinc/35/90/53/1066359053.db2.gz OTFDJJDPGOUFQC-ZEQRLZLVSA-N 0 0 454.636 4.539 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC001443730853 1066359241 /nfs/dbraw/zinc/35/92/41/1066359241.db2.gz RVSIRUSTXLMTLS-GOSISDBHSA-N 0 0 455.313 4.697 20 0 JJADRN CN(C(=O)C(F)(F)Oc1ccc(C=O)cc1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001443730632 1066359313 /nfs/dbraw/zinc/35/93/13/1066359313.db2.gz XGTJRMGDOWAGLT-MRXNPFEDSA-N 0 0 456.308 4.929 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](C)Nc2ccnn21 ZINC001443729520 1066359363 /nfs/dbraw/zinc/35/93/63/1066359363.db2.gz PKUSMACDIXDOHQ-SSHHRWTQSA-N 0 0 455.361 4.701 20 0 JJADRN Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)cc1OCCCCCO ZINC001455094082 1066359320 /nfs/dbraw/zinc/35/93/20/1066359320.db2.gz OBHUWGQDLCWOSA-UHFFFAOYSA-N 0 0 455.505 4.741 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)Cc2ccccc2Br)C1 ZINC001455095416 1066359517 /nfs/dbraw/zinc/35/95/17/1066359517.db2.gz FZVLPFDGYDJPEE-JOCHJYFZSA-N 0 0 453.421 4.781 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361110551 1066359747 /nfs/dbraw/zinc/35/97/47/1066359747.db2.gz PTCWJRTVPGVKEK-GOSISDBHSA-N 0 0 451.596 4.948 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)c1ccccc1 ZINC001455097324 1066360020 /nfs/dbraw/zinc/36/00/20/1066360020.db2.gz SZJDTITZBUHROE-CEWLAPEOSA-N 0 0 457.368 4.645 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC001455096882 1066360092 /nfs/dbraw/zinc/36/00/92/1066360092.db2.gz IQHRMIPVEJUMCY-AREMUKBSSA-N 0 0 454.615 4.594 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)c1 ZINC001361110819 1066360268 /nfs/dbraw/zinc/36/02/68/1066360268.db2.gz UBGYPGFCRRFLNO-KKSHJYNMSA-N 0 0 470.658 4.976 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC001361110839 1066360367 /nfs/dbraw/zinc/36/03/67/1066360367.db2.gz LQNSLJIJQYLEGW-GOSISDBHSA-N 0 0 457.979 4.820 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC001361110808 1066360443 /nfs/dbraw/zinc/36/04/43/1066360443.db2.gz TVPUAHGQMULZGH-QHCPKHFHSA-N 0 0 481.685 4.872 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC001443732024 1066360338 /nfs/dbraw/zinc/36/03/38/1066360338.db2.gz ULOYTUHLCCBBDX-CYBMUJFWSA-N 0 0 459.812 4.797 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455100138 1066360530 /nfs/dbraw/zinc/36/05/30/1066360530.db2.gz GZXVVPLJNHHKOS-DWXRJYCRSA-N 0 0 454.615 4.598 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2cccc(Nc3ncccn3)c2)C1 ZINC001455100353 1066360599 /nfs/dbraw/zinc/36/05/99/1066360599.db2.gz RPKDEXGZUMSGOZ-RUZDIDTESA-N 0 0 453.587 4.623 20 0 JJADRN CCc1c(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cnn1-c1ccccc1 ZINC001455098217 1066360625 /nfs/dbraw/zinc/36/06/25/1066360625.db2.gz MBXHTXADBGOIJO-SANMLTNESA-N 0 0 454.615 4.838 20 0 JJADRN CSc1cc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001443734053 1066360883 /nfs/dbraw/zinc/36/08/83/1066360883.db2.gz ZYYZEBHKQVUIOC-CYBMUJFWSA-N 0 0 457.434 4.936 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)CC2)c(C)o1 ZINC001361110931 1066360971 /nfs/dbraw/zinc/36/09/71/1066360971.db2.gz UFFYYLQYGYRSQZ-FQEVSTJZSA-N 0 0 479.625 4.524 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)no1 ZINC001455101624 1066361084 /nfs/dbraw/zinc/36/10/84/1066361084.db2.gz QUIBVFWZTMPMNU-UHFFFAOYSA-N 0 0 453.322 4.527 20 0 JJADRN CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)cc2C1 ZINC001455103907 1066361453 /nfs/dbraw/zinc/36/14/53/1066361453.db2.gz WOCKWEZSISJWMS-WGDIFIGCSA-N 0 0 459.631 4.705 20 0 JJADRN 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CC(C)Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001455341210 1066383941 /nfs/dbraw/zinc/38/39/41/1066383941.db2.gz PWWVSTBMBMGMLZ-UHFFFAOYSA-N 0 0 452.595 4.509 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCCOC(C)C)c1 ZINC001361126345 1066384011 /nfs/dbraw/zinc/38/40/11/1066384011.db2.gz QIRNEKYAKQYOBH-KMXBQNHCSA-N 0 0 470.658 4.701 20 0 JJADRN COCC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1cccnc1 ZINC001455356054 1066384353 /nfs/dbraw/zinc/38/43/53/1066384353.db2.gz PGKOPABNXAUDHF-NRFANRHFSA-N 0 0 453.336 4.583 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)c3ccc(I)cc3Cl)cc21 ZINC001455355909 1066384417 /nfs/dbraw/zinc/38/44/17/1066384417.db2.gz VSMKKEJCZZITSV-UHFFFAOYSA-N 0 0 453.711 4.805 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1 ZINC001361126520 1066384614 /nfs/dbraw/zinc/38/46/14/1066384614.db2.gz TZDWOWABJXSJHH-NRFANRHFSA-N 0 0 465.646 4.533 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1nc(/C=C/c2ccccc2)cs1)c1cnn(C)c1 ZINC001443909687 1066384903 /nfs/dbraw/zinc/38/49/03/1066384903.db2.gz ILAMQKYWOFOMRI-CVTTXWKISA-N 0 0 453.568 4.594 20 0 JJADRN CC1(C)OC[C@@H](NC(=O)CCSc2ccccc2Br)[C@@H](c2ccccc2)O1 ZINC001455374100 1066384977 /nfs/dbraw/zinc/38/49/77/1066384977.db2.gz DVQCUKHTOJYITH-YLJYHZDGSA-N 0 0 450.398 4.940 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCc2cccnc2)c1 ZINC001361126576 1066385072 /nfs/dbraw/zinc/38/50/72/1066385072.db2.gz VBKIQKWIUFLQBH-NRFANRHFSA-N 0 0 463.626 4.930 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC001455376597 1066385304 /nfs/dbraw/zinc/38/53/04/1066385304.db2.gz MUTODANBJFIJFW-TZIWHRDSSA-N 0 0 456.539 4.792 20 0 JJADRN CC1(C)OC[C@@H](NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)O1 ZINC001455383491 1066385376 /nfs/dbraw/zinc/38/53/76/1066385376.db2.gz NYRTYOXOOLSTJU-UFHPHHKVSA-N 0 0 472.585 4.681 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455389100 1066385393 /nfs/dbraw/zinc/38/53/93/1066385393.db2.gz QHFCNBWLBIJAQL-WGDIFIGCSA-N 0 0 455.599 4.706 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2ccccc2CSc2nc[nH]n2)c1 ZINC001455389478 1066385446 /nfs/dbraw/zinc/38/54/46/1066385446.db2.gz FIYWAYOLXGEQLZ-UHFFFAOYSA-N 0 0 457.531 4.513 20 0 JJADRN CCCc1sc(C(=O)NC[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1CC ZINC001455391833 1066385483 /nfs/dbraw/zinc/38/54/83/1066385483.db2.gz BAOJBKDTVRAEOL-SFHVURJKSA-N 0 0 450.645 4.799 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 ZINC001361126642 1066385770 /nfs/dbraw/zinc/38/57/70/1066385770.db2.gz WWYFHTXHWCFVKA-BHIFYINESA-N 0 0 470.658 4.701 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CC[C@H]2COCCO2)c1 ZINC001361126666 1066385819 /nfs/dbraw/zinc/38/58/19/1066385819.db2.gz XNRRJVWZCJWCNY-NRFANRHFSA-N 0 0 456.631 4.721 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c3c(F)cccc3F)cc21 ZINC001455402499 1066386284 /nfs/dbraw/zinc/38/62/84/1066386284.db2.gz XFJPFYGHNNFQEC-NRFANRHFSA-N 0 0 458.509 4.778 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(C(C)C)CC2)c1 ZINC001361126914 1066386402 /nfs/dbraw/zinc/38/64/02/1066386402.db2.gz BVJALIDBFRDOQC-NRFANRHFSA-N 0 0 467.658 4.817 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCCC(F)(F)F)c1 ZINC001361126762 1066386461 /nfs/dbraw/zinc/38/64/61/1066386461.db2.gz ZZVGXBWUCARAAE-WOJBJXKFSA-N 0 0 493.574 4.879 20 0 JJADRN CSCC[C@@H](CC(=O)NCCCc1cccc(Br)c1)NC(=O)OC(C)(C)C ZINC001443933095 1066386370 /nfs/dbraw/zinc/38/63/70/1066386370.db2.gz JPOCQFZLMPDNAB-KRWDZBQOSA-N 0 0 459.450 4.534 20 0 JJADRN COC(=O)c1ccc(OC)c2c1CCN(C(=O)c1ccc(Oc3ccc(F)c(F)c3)cc1)C2 ZINC001455399986 1066386533 /nfs/dbraw/zinc/38/65/33/1066386533.db2.gz OBBHHCOWOTYQDC-UHFFFAOYSA-N 0 0 453.441 4.751 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncccc2N(C)C)C1 ZINC001546072345 1066386772 /nfs/dbraw/zinc/38/67/72/1066386772.db2.gz CVMJRRYIBURWDS-NFQMXDRXSA-N 0 0 497.688 4.528 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001443947878 1066386826 /nfs/dbraw/zinc/38/68/26/1066386826.db2.gz ORICRMPVECQVHU-CQSZACIVSA-N 0 0 454.445 4.605 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncccc2N(C)C)C1 ZINC001546072342 1066387015 /nfs/dbraw/zinc/38/70/15/1066387015.db2.gz CVMJRRYIBURWDS-CCLHPLFOSA-N 0 0 497.688 4.528 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)c(Cl)cn1 ZINC001443938129 1066386960 /nfs/dbraw/zinc/38/69/60/1066386960.db2.gz UALTXDJNQMSNRO-UHFFFAOYSA-N 0 0 453.907 4.731 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CCC(C)C)c1 ZINC001361127150 1066387608 /nfs/dbraw/zinc/38/76/08/1066387608.db2.gz GEQCADIPFCKNAH-NRFANRHFSA-N 0 0 451.619 4.805 20 0 JJADRN C[C@H](CC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)c1cccc(F)c1 ZINC001455416949 1066387968 /nfs/dbraw/zinc/38/79/68/1066387968.db2.gz SXKZEZNGNSFSPR-VGOFRKELSA-N 0 0 454.542 4.513 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCOC(C)C)c1 ZINC001361127306 1066387915 /nfs/dbraw/zinc/38/79/15/1066387915.db2.gz HGFWYBPYHVHGHC-QFIPXVFZSA-N 0 0 499.700 4.845 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCN(c4nccs4)CC3)n2CCOC(C)C)c1 ZINC001361127295 1066388127 /nfs/dbraw/zinc/38/81/27/1066388127.db2.gz HCHISYRIIMIZEP-UHFFFAOYSA-N 0 0 498.697 4.887 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC[C@@H]2COCCO2)c1 ZINC001361127502 1066388667 /nfs/dbraw/zinc/38/86/67/1066388667.db2.gz KFPKULTVGNMZCK-FYYLOGMGSA-N 0 0 456.631 4.719 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@H](CO)c1ccc(Cl)cc1)C1CCCCCC1 ZINC001455420110 1066388537 /nfs/dbraw/zinc/38/85/37/1066388537.db2.gz IVJUWQAQIWKWBL-CTNGQTDRSA-N 0 0 453.023 4.643 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443967214 1066388808 /nfs/dbraw/zinc/38/88/08/1066388808.db2.gz ANYVFWLKOJEZBX-IEBWSBKVSA-N 0 0 455.521 4.580 20 0 JJADRN COc1ccc(Cl)cc1NCC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001455424129 1066389195 /nfs/dbraw/zinc/38/91/95/1066389195.db2.gz GQUKRVMBRUGZKX-INIZCTEOSA-N 0 0 459.974 4.806 20 0 JJADRN COc1ccc(Br)c2[nH]c(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3C)cc21 ZINC001455431493 1066389517 /nfs/dbraw/zinc/38/95/17/1066389517.db2.gz HACGKGUQSIJOOU-LBPRGKRZSA-N 0 0 459.340 4.716 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001443975319 1066389783 /nfs/dbraw/zinc/38/97/83/1066389783.db2.gz JRDKEYZVAIHFPB-QHCPKHFHSA-N 0 0 456.514 4.517 20 0 JJADRN Cc1ccc(S(=O)(=O)C2CCN(C(=O)c3cnn(C(C)C)c3-c3ccccc3)CC2)cc1 ZINC001455439538 1066390345 /nfs/dbraw/zinc/39/03/45/1066390345.db2.gz CHDFTWZPDAIUSA-UHFFFAOYSA-N 0 0 451.592 4.518 20 0 JJADRN CCCCCCn1nc(C(=O)N[C@@H](C)c2ccncc2Br)c2ccccc2c1=O ZINC001455442531 1066390701 /nfs/dbraw/zinc/39/07/01/1066390701.db2.gz IJKSUBRKKXCWRK-HNNXBMFYSA-N 0 0 457.372 4.625 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC34CCCCC4)cc2C1 ZINC001443987153 1066390952 /nfs/dbraw/zinc/39/09/52/1066390952.db2.gz CAZBCPMYILECGO-SFHVURJKSA-N 0 0 457.615 4.698 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001361128109 1066391098 /nfs/dbraw/zinc/39/10/98/1066391098.db2.gz SIZYOLNYGJOOIS-QUCCMNQESA-N 0 0 496.681 4.559 20 0 JJADRN Cc1ccc(CCC(=O)NCC(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cc1 ZINC001443988837 1066391409 /nfs/dbraw/zinc/39/14/09/1066391409.db2.gz FXFREKUHWBMDBT-VWLOTQADSA-N 0 0 456.920 4.881 20 0 JJADRN Cc1ccc(C2(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CCOCC2)cc1C ZINC001443991139 1066391795 /nfs/dbraw/zinc/39/17/95/1066391795.db2.gz HLMKWNPJHHZFCO-QHCPKHFHSA-N 0 0 452.595 4.734 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001361128509 1066392220 /nfs/dbraw/zinc/39/22/20/1066392220.db2.gz YEOXUKKPDYBFRY-HXUWFJFHSA-N 0 0 463.626 4.581 20 0 JJADRN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nc3ccccc3s2)s1 ZINC001443994104 1066392481 /nfs/dbraw/zinc/39/24/81/1066392481.db2.gz OVCSRZDBZYQFJA-UHFFFAOYSA-N 0 0 453.511 4.556 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccncc3Br)s2)c(F)c1 ZINC001455458390 1066392570 /nfs/dbraw/zinc/39/25/70/1066392570.db2.gz PXGFVGASVLDKLZ-SNVBAGLBSA-N 0 0 450.333 4.915 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC001361128884 1066393351 /nfs/dbraw/zinc/39/33/51/1066393351.db2.gz JAQBSNSBMLUHMN-UHFFFAOYSA-N 0 0 450.970 4.992 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 ZINC001361129275 1066393499 /nfs/dbraw/zinc/39/34/99/1066393499.db2.gz TXVRRZYOCLYMBU-UHFFFAOYSA-N 0 0 458.484 4.825 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4ccnc(C)n4)CC3)n2CCC(C)(F)F)c1 ZINC001361129692 1066393560 /nfs/dbraw/zinc/39/35/60/1066393560.db2.gz BRHUBGKALZTGNW-UHFFFAOYSA-N 0 0 499.610 4.759 20 0 JJADRN O=C(COc1ccccc1OCc1ccccc1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001455460112 1066393575 /nfs/dbraw/zinc/39/35/75/1066393575.db2.gz AHTDVIVUKFGPHX-UHFFFAOYSA-N 0 0 452.938 4.763 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2[nH]cc(I)c2c1 ZINC001444001768 1066393606 /nfs/dbraw/zinc/39/36/06/1066393606.db2.gz SGSJOJPBDQYYBN-UHFFFAOYSA-N 0 0 456.243 4.607 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361129870 1066394110 /nfs/dbraw/zinc/39/41/10/1066394110.db2.gz FPPUAVQLYJKFLX-LEWJYISDSA-N 0 0 482.673 4.575 20 0 JJADRN COc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1S(C)(=O)=O ZINC001361129995 1066394305 /nfs/dbraw/zinc/39/43/05/1066394305.db2.gz JDDYBYHINBDPJN-FQEVSTJZSA-N 0 0 450.000 4.674 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC001444021464 1066395058 /nfs/dbraw/zinc/39/50/58/1066395058.db2.gz KWZDQWSHFXJFAT-UHFFFAOYSA-N 0 0 450.966 4.810 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2CCC=CO2)c1 ZINC001361130477 1066395541 /nfs/dbraw/zinc/39/55/41/1066395541.db2.gz NPSGFSWKZVNJKE-GOTSBHOMSA-N 0 0 495.668 4.675 20 0 JJADRN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCC(OCC2CCCCC2)CC1 ZINC001444024670 1066395821 /nfs/dbraw/zinc/39/58/21/1066395821.db2.gz ISNCJWRCQMUQDS-UHFFFAOYSA-N 0 0 450.579 4.797 20 0 JJADRN COc1ccc([C@@H](C)CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC001444023656 1066395832 /nfs/dbraw/zinc/39/58/32/1066395832.db2.gz RIMJSTAUYGILMY-KRWDZBQOSA-N 0 0 456.539 4.559 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCCC(C)C)c1 ZINC001361130483 1066395986 /nfs/dbraw/zinc/39/59/86/1066395986.db2.gz NUINNOQOXAFBBY-XMMPIXPASA-N 0 0 497.684 4.553 20 0 JJADRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc(CSc2ccccc2)cc1 ZINC001444027139 1066395990 /nfs/dbraw/zinc/39/59/90/1066395990.db2.gz CNNMVRHFIJEOSQ-UHFFFAOYSA-N 0 0 453.365 4.943 20 0 JJADRN COc1cccc(Cn2c3ccccc3nc2NC(=O)CCOCC(F)(F)C(F)(F)F)c1 ZINC001361130521 1066396006 /nfs/dbraw/zinc/39/60/06/1066396006.db2.gz QNYWAIKTBICEFF-UHFFFAOYSA-N 0 0 457.399 4.636 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)c3ncsc3Nc3ccc(C)cc3)CC2)cs1 ZINC001444027406 1066396022 /nfs/dbraw/zinc/39/60/22/1066396022.db2.gz CJOVZPKOAJWZES-UHFFFAOYSA-N 0 0 455.653 4.856 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2CC(F)(F)C2)c1 ZINC001361130498 1066396188 /nfs/dbraw/zinc/39/61/88/1066396188.db2.gz ORMWUJKUEBZGCV-UHFFFAOYSA-N 0 0 489.611 4.639 20 0 JJADRN COc1cc(N(C)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc(OC)c1OC ZINC001444031129 1066396231 /nfs/dbraw/zinc/39/62/31/1066396231.db2.gz QJMZZJWOMKAQOY-KKSFZXQISA-N 0 0 458.555 4.577 20 0 JJADRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001455479942 1066396475 /nfs/dbraw/zinc/39/64/75/1066396475.db2.gz IWMRVTBKAXXHOA-HNAYVOBHSA-N 0 0 452.473 4.898 20 0 JJADRN C[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC001455483336 1066396491 /nfs/dbraw/zinc/39/64/91/1066396491.db2.gz VJQPYFCYYOSNAK-LBPRGKRZSA-N 0 0 456.877 4.789 20 0 JJADRN CC(C)c1nsc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n1 ZINC001455481985 1066396514 /nfs/dbraw/zinc/39/65/14/1066396514.db2.gz UYLKZHDTGJQUIS-UHFFFAOYSA-N 0 0 454.936 4.507 20 0 JJADRN C[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC001455483331 1066396658 /nfs/dbraw/zinc/39/66/58/1066396658.db2.gz VJQPYFCYYOSNAK-GFCCVEGCSA-N 0 0 456.877 4.789 20 0 JJADRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001444033266 1066396836 /nfs/dbraw/zinc/39/68/36/1066396836.db2.gz JNXRCZLLOJEDQZ-QFIPXVFZSA-N 0 0 455.480 4.508 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001361131024 1066397061 /nfs/dbraw/zinc/39/70/61/1066397061.db2.gz VVPHNZUVCUUXEW-JQVVWYNYSA-N 0 0 496.574 4.729 20 0 JJADRN CCc1nc(CN2CCC(CNC(=O)/C=C/c3ccccc3OC(F)(F)F)CC2)cs1 ZINC001444042178 1066397444 /nfs/dbraw/zinc/39/74/44/1066397444.db2.gz XNHIJKZBAANHKM-BQYQJAHWSA-N 0 0 453.530 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC001455494225 1066397576 /nfs/dbraw/zinc/39/75/76/1066397576.db2.gz KKDWSAPZAQJKCL-NRFANRHFSA-N 0 0 457.615 4.746 20 0 JJADRN O=C(NC1(c2nccs2)CCCC1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001444056667 1066397768 /nfs/dbraw/zinc/39/77/68/1066397768.db2.gz BXGJMJHIFJXDQX-UHFFFAOYSA-N 0 0 452.761 4.600 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC(C)C)C1 ZINC001546073198 1066398267 /nfs/dbraw/zinc/39/82/67/1066398267.db2.gz PWCOYWWALARJHN-CJFMBICVSA-N 0 0 495.734 4.992 20 0 JJADRN CCCc1ccc(C(=O)N[C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1 ZINC001444061425 1066398457 /nfs/dbraw/zinc/39/84/57/1066398457.db2.gz GGWHYZOVTUDWOB-DEOSSOPVSA-N 0 0 450.604 4.706 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC(C)C)C1 ZINC001546073200 1066398524 /nfs/dbraw/zinc/39/85/24/1066398524.db2.gz PWCOYWWALARJHN-NBGIEHNGSA-N 0 0 495.734 4.992 20 0 JJADRN CCC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC001444068408 1066398979 /nfs/dbraw/zinc/39/89/79/1066398979.db2.gz UZQJQUQOFCVZBT-AHWVRZQESA-N 0 0 450.579 4.837 20 0 JJADRN Cc1nnc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001361131347 1066398842 /nfs/dbraw/zinc/39/88/42/1066398842.db2.gz FSHSBFKEWLFCSI-SJORKVTESA-N 0 0 472.684 4.827 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2CC2(O)CCCCCC2)c1 ZINC001361131350 1066398994 /nfs/dbraw/zinc/39/89/94/1066398994.db2.gz FVRMYZVYORSOQY-UHFFFAOYSA-N 0 0 452.603 4.851 20 0 JJADRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)c1 ZINC001444066837 1066399087 /nfs/dbraw/zinc/39/90/87/1066399087.db2.gz IOKCONWPGYIOME-WJOKGBTCSA-N 0 0 453.486 4.604 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC001455504431 1066399223 /nfs/dbraw/zinc/39/92/23/1066399223.db2.gz QLKBSYQJSNHBBA-UHFFFAOYSA-N 0 0 454.567 4.780 20 0 JJADRN Cc1cc(C=O)c(O)c(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507729 1066399642 /nfs/dbraw/zinc/39/96/42/1066399642.db2.gz AIEFLYROTAFLTE-XMSQKQJNSA-N 0 0 458.599 4.839 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCCO2)C1 ZINC001546073301 1066399794 /nfs/dbraw/zinc/39/97/94/1066399794.db2.gz QYBBCCAQGARLHT-CPJSRVTESA-N 0 0 461.651 4.588 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC[C@H]1C ZINC001361131592 1066399943 /nfs/dbraw/zinc/39/99/43/1066399943.db2.gz LTLHRKHYNJTHIS-GOSISDBHSA-N 0 0 455.628 4.522 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H]2CCOC2)c1 ZINC001361131649 1066399980 /nfs/dbraw/zinc/39/99/80/1066399980.db2.gz NGVSCPOEVJFQBK-OFNKIYASSA-N 0 0 458.672 4.903 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC001444075908 1066400216 /nfs/dbraw/zinc/40/02/16/1066400216.db2.gz LNRBHVVCDPTAFS-QGZVFWFLSA-N 0 0 458.425 4.879 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(C(=O)[C@H](O)CCc2ccccc2)C1)C1CCCC1 ZINC001455508777 1066400331 /nfs/dbraw/zinc/40/03/31/1066400331.db2.gz HAUFVGYZNCAJTM-GMKZXUHWSA-N 0 0 458.643 4.692 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(C(=O)[C@H](O)CCc2ccccc2)C1)C1CCCC1 ZINC001455508783 1066400347 /nfs/dbraw/zinc/40/03/47/1066400347.db2.gz HAUFVGYZNCAJTM-QPTUXGOLSA-N 0 0 458.643 4.692 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001361131882 1066400686 /nfs/dbraw/zinc/40/06/86/1066400686.db2.gz BEZVZWUMUTXNJF-VWLOTQADSA-N 0 0 453.539 4.554 20 0 JJADRN CC(C)c1ccc(OCCC(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cc1 ZINC001444077401 1066400875 /nfs/dbraw/zinc/40/08/75/1066400875.db2.gz FNUGQHWGGHAQTN-SFHVURJKSA-N 0 0 454.596 4.596 20 0 JJADRN COc1ncc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1Cl ZINC001444081053 1066400999 /nfs/dbraw/zinc/40/09/99/1066400999.db2.gz MUWNRZBKHDRIBD-UHFFFAOYSA-N 0 0 454.889 4.725 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C2(c3ccccc3F)CCCC2)C[C@H]1C(F)(F)F ZINC001455510164 1066401517 /nfs/dbraw/zinc/40/15/17/1066401517.db2.gz CUKDOKJJOPARDM-NVXWUHKLSA-N 0 0 458.496 4.799 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001361132302 1066402141 /nfs/dbraw/zinc/40/21/41/1066402141.db2.gz LGSOZEMBNMTOAW-HXUWFJFHSA-N 0 0 455.555 4.846 20 0 JJADRN Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@@H](C)c1ccc(C)cc1 ZINC001361132434 1066402177 /nfs/dbraw/zinc/40/21/77/1066402177.db2.gz YFVSYKRXYCZVMS-LJQANCHMSA-N 0 0 452.672 4.775 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(F)(F)F)CC2)cc1 ZINC001361132245 1066402205 /nfs/dbraw/zinc/40/22/05/1066402205.db2.gz WVRXPVLAKXNQEM-QGZVFWFLSA-N 0 0 472.515 4.816 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC001361132492 1066403330 /nfs/dbraw/zinc/40/33/30/1066403330.db2.gz ZJTXZHHRGBQIPK-MJGOQNOKSA-N 0 0 488.057 4.821 20 0 JJADRN CO[C@H](CNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001361132812 1066403796 /nfs/dbraw/zinc/40/37/96/1066403796.db2.gz BXOWLMYMTRYITO-ZXNZYJFHSA-N 0 0 451.007 4.960 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001361133849 1066404659 /nfs/dbraw/zinc/40/46/59/1066404659.db2.gz CGGBRWBHWOSRKW-NRFANRHFSA-N 0 0 451.659 4.818 20 0 JJADRN COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001455531718 1066404915 /nfs/dbraw/zinc/40/49/15/1066404915.db2.gz MUQNZEOKOXLWEJ-YCRPNKLZSA-N 0 0 458.605 4.613 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001361134353 1066405514 /nfs/dbraw/zinc/40/55/14/1066405514.db2.gz JATWEAFYPJEQOG-YESZJQIVSA-N 0 0 458.404 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC001444095666 1066405579 /nfs/dbraw/zinc/40/55/79/1066405579.db2.gz ASHPAKMUXRWHJI-CGKQSPDFSA-N 0 0 456.608 4.970 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccoc2)cc1 ZINC001361134146 1066405589 /nfs/dbraw/zinc/40/55/89/1066405589.db2.gz GZDRFDPASRFMMO-NZQKXSOJSA-N 0 0 495.624 4.928 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)cc2)cc1C ZINC001455533142 1066405696 /nfs/dbraw/zinc/40/56/96/1066405696.db2.gz SIHNRQLBJCUNAV-DHIUTWEWSA-N 0 0 470.541 4.883 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001455533192 1066405825 /nfs/dbraw/zinc/40/58/25/1066405825.db2.gz QWTRMSOIQPQKOJ-BVFVYWQFSA-N 0 0 473.614 4.548 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134544 1066406373 /nfs/dbraw/zinc/40/63/73/1066406373.db2.gz LEJCAWFTJGWALO-RTWAWAEBSA-N 0 0 476.625 4.803 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC001444096873 1066406427 /nfs/dbraw/zinc/40/64/27/1066406427.db2.gz FZTOVTZKLHBLLL-DEOSSOPVSA-N 0 0 459.502 4.598 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001444097462 1066406430 /nfs/dbraw/zinc/40/64/30/1066406430.db2.gz HAUVAYOORWKZDA-WKRVVKTRSA-N 0 0 459.011 4.913 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134722 1066406541 /nfs/dbraw/zinc/40/65/41/1066406541.db2.gz MPOLYQFTTOZQIO-IRLDBZIGSA-N 0 0 491.640 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)C(F)(F)c3ccccc3Br)CCC[C@@H]12 ZINC001455536862 1066406596 /nfs/dbraw/zinc/40/65/96/1066406596.db2.gz KHXQMGLHDRXIOR-OXQOHEQNSA-N 0 0 473.358 4.837 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361134723 1066406610 /nfs/dbraw/zinc/40/66/10/1066406610.db2.gz MPOLYQFTTOZQIO-RBBKRZOGSA-N 0 0 491.640 4.683 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 ZINC001361134584 1066406848 /nfs/dbraw/zinc/40/68/48/1066406848.db2.gz FHRPIYGACYLOQS-GUDVDZBRSA-N 0 0 469.680 4.712 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC001444103787 1066406822 /nfs/dbraw/zinc/40/68/22/1066406822.db2.gz XGZCHHQWKCYJMH-SBUREZEXSA-N 0 0 457.412 4.944 20 0 JJADRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ncc(Cc3ccccc3)o2)CC1 ZINC001444109296 1066407625 /nfs/dbraw/zinc/40/76/25/1066407625.db2.gz ZYJADRUHNMEXAH-QGZVFWFLSA-N 0 0 454.368 4.547 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545964458 1066407698 /nfs/dbraw/zinc/40/76/98/1066407698.db2.gz DZMODZKIBDVKHE-QFBILLFUSA-N 0 0 480.371 4.789 20 0 JJADRN Cc1ccc([C@H](Cn2c(C(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)N2CCOCC2)o1 ZINC001361134777 1066407715 /nfs/dbraw/zinc/40/77/15/1066407715.db2.gz HDXNNPZCAWAWRJ-OFNKIYASSA-N 0 0 451.615 4.616 20 0 JJADRN Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N(C)C[C@@H](C)c2ccccc2)N2CCOCC2)o1 ZINC001361134775 1066407725 /nfs/dbraw/zinc/40/77/25/1066407725.db2.gz HDXNNPZCAWAWRJ-NFBKMPQASA-N 0 0 451.615 4.616 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(C)cc1 ZINC001361134834 1066407789 /nfs/dbraw/zinc/40/77/89/1066407789.db2.gz IAMWOKOXAQYOIH-UQBPGWFLSA-N 0 0 469.655 4.832 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361135135 1066408492 /nfs/dbraw/zinc/40/84/92/1066408492.db2.gz PXPTXYFNZJXQDW-NRFANRHFSA-N 0 0 490.652 4.870 20 0 JJADRN CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(C)c4)cc3C2=O)cc1 ZINC001455544723 1066408787 /nfs/dbraw/zinc/40/87/87/1066408787.db2.gz DYEMZFZTPRSGRA-KRWDZBQOSA-N 0 0 458.514 4.694 20 0 JJADRN O=C(C[C@H]1CCc2sccc2C1=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001444124659 1066409298 /nfs/dbraw/zinc/40/92/98/1066409298.db2.gz VQFQYFYDXHRMAE-LJQANCHMSA-N 0 0 453.585 4.637 20 0 JJADRN O=C(NCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Br)cc1 ZINC001444123596 1066409499 /nfs/dbraw/zinc/40/94/99/1066409499.db2.gz PVGDCQCAYIPFSG-GOSISDBHSA-N 0 0 452.299 4.603 20 0 JJADRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)nc2)cc1C ZINC001455557500 1066409449 /nfs/dbraw/zinc/40/94/49/1066409449.db2.gz DKSICXOHBWGDPO-UHFFFAOYSA-N 0 0 453.546 4.564 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001361136198 1066410311 /nfs/dbraw/zinc/41/03/11/1066410311.db2.gz VWFUAUSBZYYZOD-OPYAIIAOSA-N 0 0 459.516 4.532 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC001455560729 1066410876 /nfs/dbraw/zinc/41/08/76/1066410876.db2.gz UPMVVAOLBYYEGY-ZCNNSNEGSA-N 0 0 479.017 4.732 20 0 JJADRN COc1cc(Br)cc(CNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)c1 ZINC001455562913 1066410938 /nfs/dbraw/zinc/41/09/38/1066410938.db2.gz WGYSNLNYRKIIRW-UHFFFAOYSA-N 0 0 452.146 4.940 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](CC)C1)OC ZINC001545964610 1066410787 /nfs/dbraw/zinc/41/07/87/1066410787.db2.gz HOOJGUXIOWXLQO-HUUCEWRRSA-N 0 0 457.413 4.604 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)cn1C ZINC001361136434 1066410883 /nfs/dbraw/zinc/41/08/83/1066410883.db2.gz QSJABWOAEQSBBU-UHFFFAOYSA-N 0 0 456.340 4.951 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)c3ccc(C)cc3)CC2)oc1C ZINC001361136800 1066411630 /nfs/dbraw/zinc/41/16/30/1066411630.db2.gz ZSHPGJWWSQDADK-FQEVSTJZSA-N 0 0 450.631 4.516 20 0 JJADRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)CONC(=O)OC(C)(C)C ZINC001444133492 1066411915 /nfs/dbraw/zinc/41/19/15/1066411915.db2.gz GZLIMKINQDTKCL-UHFFFAOYSA-N 0 0 456.583 4.996 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)co2)cc1 ZINC001455567057 1066411923 /nfs/dbraw/zinc/41/19/23/1066411923.db2.gz XRJOHACBKVNXNQ-DEOSSOPVSA-N 0 0 455.514 4.934 20 0 JJADRN CC(C)C[C@H](C)Oc1cc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccn1 ZINC001444137391 1066412434 /nfs/dbraw/zinc/41/24/34/1066412434.db2.gz POKBUBHCIPKLPV-HNNXBMFYSA-N 0 0 459.999 4.809 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(Cl)nn(C)c2Cl)cc1 ZINC001361137608 1066413057 /nfs/dbraw/zinc/41/30/57/1066413057.db2.gz DTEYXNNXHCOJKE-UHFFFAOYSA-N 0 0 454.335 4.565 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)Cc3ccccc3C)c2)cc1 ZINC001361137737 1066413071 /nfs/dbraw/zinc/41/30/71/1066413071.db2.gz JRNRWJFWGGMKHQ-UHFFFAOYSA-N 0 0 450.604 4.880 20 0 JJADRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC001444139237 1066413842 /nfs/dbraw/zinc/41/38/42/1066413842.db2.gz KZORDXFCMMYYJX-UHFFFAOYSA-N 0 0 452.334 4.750 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC001361139123 1066414387 /nfs/dbraw/zinc/41/43/87/1066414387.db2.gz XGEFELYIQNZYKU-OAQYLSRUSA-N 0 0 451.500 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CC[C@H](c3c(F)cccc3F)C2)(c2ccccc2)C1 ZINC001455606579 1066414901 /nfs/dbraw/zinc/41/49/01/1066414901.db2.gz ONSFEFMTICHKDK-QYBDOPJKSA-N 0 0 456.533 4.860 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cn2)c1C ZINC001444142780 1066415574 /nfs/dbraw/zinc/41/55/74/1066415574.db2.gz YQATUNRTJFVXLC-UHFFFAOYSA-N 0 0 458.562 4.558 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC001545964903 1066415583 /nfs/dbraw/zinc/41/55/83/1066415583.db2.gz MCKIHDPTMJSILB-QZTJIDSGSA-N 0 0 491.409 4.618 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1)OC ZINC001545964964 1066415590 /nfs/dbraw/zinc/41/55/90/1066415590.db2.gz NGARARJODIBFBC-INIZCTEOSA-N 0 0 451.905 4.656 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001545964920 1066415606 /nfs/dbraw/zinc/41/56/06/1066415606.db2.gz MMFVKKPEKYYOMC-FXAWDEMLSA-N 0 0 473.980 4.853 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](COC)C1)Oc1cccc(F)c1 ZINC001545964921 1066415679 /nfs/dbraw/zinc/41/56/79/1066415679.db2.gz MMFVKKPEKYYOMC-PXNSSMCTSA-N 0 0 473.980 4.853 20 0 JJADRN O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1csc(-c2cc(Br)cs2)n1 ZINC001455620449 1066415755 /nfs/dbraw/zinc/41/57/55/1066415755.db2.gz PUOCPJNIRHVDCF-UHFFFAOYSA-N 0 0 459.394 4.997 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545965046 1066417135 /nfs/dbraw/zinc/41/71/35/1066417135.db2.gz ORLMRDGDFZNFJP-CGTJXYLNSA-N 0 0 461.010 4.676 20 0 JJADRN O=C(/C=C\c1ccnc2ccccc12)NCCSCCOc1cccc(Br)c1 ZINC001444151466 1066418834 /nfs/dbraw/zinc/41/88/34/1066418834.db2.gz FSVKDQRQFKQIBZ-HJWRWDBZSA-N 0 0 457.393 4.939 20 0 JJADRN C[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1c1ccccc1 ZINC001455646277 1066418988 /nfs/dbraw/zinc/41/89/88/1066418988.db2.gz CZDBPMXKJAAESW-WAIKUNEKSA-N 0 0 456.514 4.989 20 0 JJADRN C[C@H](Oc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cn1)c1ccccc1 ZINC001455646752 1066419015 /nfs/dbraw/zinc/41/90/15/1066419015.db2.gz AZQDREJQWFSGKZ-XQBPLPMBSA-N 0 0 453.583 4.845 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455648754 1066419582 /nfs/dbraw/zinc/41/95/82/1066419582.db2.gz MHGGBHPNSQFSLL-UHFFFAOYSA-N 0 0 451.470 4.738 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)CNC(=O)NC2CCCCC2)ccc1Cl ZINC001444155198 1066420165 /nfs/dbraw/zinc/42/01/65/1066420165.db2.gz WHMOXIVJPDDAJV-UHFFFAOYSA-N 0 0 453.974 4.617 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCc3cc(C(F)(F)F)ccc3Br)[nH]n2)cc1 ZINC001455651824 1066420353 /nfs/dbraw/zinc/42/03/53/1066420353.db2.gz RHZUNVVUAIVUIY-UHFFFAOYSA-N 0 0 454.246 4.797 20 0 JJADRN Cn1ccc(Nc2ccc(C(=O)NCc3cc(C(F)(F)F)ccc3Br)cc2)n1 ZINC001455653250 1066420800 /nfs/dbraw/zinc/42/08/00/1066420800.db2.gz ZHLRFOKINHHPSU-UHFFFAOYSA-N 0 0 453.262 4.875 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)c1 ZINC001444158127 1066420803 /nfs/dbraw/zinc/42/08/03/1066420803.db2.gz JMXTZZXUDARIQT-YTTGMZPUSA-N 0 0 450.560 4.780 20 0 JJADRN Cc1cc(OCCCC(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)ccc1Cl ZINC001455668150 1066421942 /nfs/dbraw/zinc/42/19/42/1066421942.db2.gz SFDVPAUVCIPOQP-HNNXBMFYSA-N 0 0 452.780 4.766 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1)Oc1cccc(F)c1 ZINC001545965421 1066421955 /nfs/dbraw/zinc/42/19/55/1066421955.db2.gz XHHLYBSDEXKBMI-OAQYLSRUSA-N 0 0 488.007 4.979 20 0 JJADRN CC(C)[C@H]1CCCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001444161058 1066421964 /nfs/dbraw/zinc/42/19/64/1066421964.db2.gz BZAPOLUVSSSDAW-AQNXPRMDSA-N 0 0 456.656 4.620 20 0 JJADRN CCOC(=O)Cc1csc(CNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1 ZINC001455665754 1066421982 /nfs/dbraw/zinc/42/19/82/1066421982.db2.gz ZJAKDBNJXYPLNO-UHFFFAOYSA-N 0 0 453.564 4.664 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)COc2ccc(F)cc2Br)cc1 ZINC001361142103 1066422365 /nfs/dbraw/zinc/42/23/65/1066422365.db2.gz XEFULUFPLFRUNN-UHFFFAOYSA-N 0 0 454.292 4.944 20 0 JJADRN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cccnc2SCc2ccc(Br)cc2)C1 ZINC001455671401 1066422529 /nfs/dbraw/zinc/42/25/29/1066422529.db2.gz HYLXXAVGENZIFZ-CQSZACIVSA-N 0 0 457.397 4.694 20 0 JJADRN O=C(N1CCC[C@H](c2ncc(Br)cn2)C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001455670769 1066422632 /nfs/dbraw/zinc/42/26/32/1066422632.db2.gz XTHFGNDNWMUONG-ZDUSSCGKSA-N 0 0 454.290 4.696 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3c(C)cc(C)c(Br)c3C)n2)c1 ZINC001361142136 1066423664 /nfs/dbraw/zinc/42/36/64/1066423664.db2.gz YEURXVOEKIBURH-HNNXBMFYSA-N 0 0 458.356 4.853 20 0 JJADRN O=C(CCc1ccc(O)cc1)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC001444165116 1066423611 /nfs/dbraw/zinc/42/36/11/1066423611.db2.gz NBJJAAJAICLPJC-UHFFFAOYSA-N 0 0 453.336 4.656 20 0 JJADRN CCO[C@@H](CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)C(C)C ZINC001444168032 1066424256 /nfs/dbraw/zinc/42/42/56/1066424256.db2.gz FKRCVZOAKGHQDB-MSOLQXFVSA-N 0 0 450.377 4.538 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)C1 ZINC001361142485 1066424213 /nfs/dbraw/zinc/42/42/13/1066424213.db2.gz AGCCLLRFXOWSMC-NHCUHLMSSA-N 0 0 458.649 4.574 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC001444171263 1066424748 /nfs/dbraw/zinc/42/47/48/1066424748.db2.gz QGRDZOUTHODVGZ-PMACEKPBSA-N 0 0 458.628 4.653 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccsc3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546075124 1066424648 /nfs/dbraw/zinc/42/46/48/1066424648.db2.gz HZGJELHYCCUJFJ-HXUWFJFHSA-N 0 0 450.534 4.608 20 0 JJADRN Cc1nc(C(C)C)oc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC001444173347 1066425432 /nfs/dbraw/zinc/42/54/32/1066425432.db2.gz KJGBJCSXRFELEP-INIZCTEOSA-N 0 0 459.344 4.820 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)CCc3c(C)nc(-c4ccncc4)[nH]c3=O)c2)cc1 ZINC001444174526 1066425597 /nfs/dbraw/zinc/42/55/97/1066425597.db2.gz AXYIHIAGPFDUAQ-UHFFFAOYSA-N 0 0 454.530 4.599 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2Cc3ccccc3OC3(CCC3)C2)c1 ZINC001455708619 1066425571 /nfs/dbraw/zinc/42/55/71/1066425571.db2.gz POOXPAIZDHISDU-JOCHJYFZSA-N 0 0 452.551 4.605 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1ccc(F)cc1F ZINC001361143687 1066425687 /nfs/dbraw/zinc/42/56/87/1066425687.db2.gz YDPONNOFLCQGND-SFGWALBWSA-N 0 0 458.549 4.910 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361144138 1066426343 /nfs/dbraw/zinc/42/63/43/1066426343.db2.gz CWILBAMUCYGTQN-DFBJGRDBSA-N 0 0 450.539 4.765 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 ZINC001444179135 1066426377 /nfs/dbraw/zinc/42/63/77/1066426377.db2.gz XUMOQTLFMRTFPB-UHFFFAOYSA-N 0 0 455.433 4.692 20 0 JJADRN Cc1ccc(C)c(N2CCN(c3nnc(C4CCCC4)n3CCCOC(F)(F)F)CC2)c1 ZINC001361144844 1066426897 /nfs/dbraw/zinc/42/68/97/1066426897.db2.gz MPFTWUIAVDBIEN-UHFFFAOYSA-N 0 0 451.537 4.806 20 0 JJADRN O=C(Nc1c[nH]c2ccc(Br)cc12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001455719229 1066427447 /nfs/dbraw/zinc/42/74/47/1066427447.db2.gz YNVDYRWSYDAPCS-DYVFJYSZSA-N 0 0 465.145 4.804 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001361145270 1066427475 /nfs/dbraw/zinc/42/74/75/1066427475.db2.gz SWLFYEOJJSTILC-SIKLNZKXSA-N 0 0 488.698 4.846 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)OC ZINC001545965591 1066427489 /nfs/dbraw/zinc/42/74/89/1066427489.db2.gz ZYQYNPOKIZICCY-UIAACRFSSA-N 0 0 459.953 4.524 20 0 JJADRN Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)C2)n1 ZINC001455757575 1066427963 /nfs/dbraw/zinc/42/79/63/1066427963.db2.gz FRPXGVYEKAHRHE-OAHLLOKOSA-N 0 0 459.333 4.598 20 0 JJADRN Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3ccccc3Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC001455751220 1066428167 /nfs/dbraw/zinc/42/81/67/1066428167.db2.gz DTAMIFHVBZGOPZ-HNNXBMFYSA-N 0 0 458.349 4.550 20 0 JJADRN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cnn(-c3cccc(C)c3)c1C(F)(F)F)C(=O)N2 ZINC001444197053 1066428278 /nfs/dbraw/zinc/42/82/78/1066428278.db2.gz LGNABBJYVHHWGG-QGZVFWFLSA-N 0 0 456.468 4.618 20 0 JJADRN COc1cc(Cl)ccc1CNC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 ZINC001444208743 1066428959 /nfs/dbraw/zinc/42/89/59/1066428959.db2.gz KMMXLDJDIINQFI-YSJWXEPDSA-N 0 0 455.020 4.534 20 0 JJADRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(Br)cc(Br)c1N)CCC2 ZINC001444206519 1066429120 /nfs/dbraw/zinc/42/91/20/1066429120.db2.gz PKAPPEXJRNBHBH-CYBMUJFWSA-N 0 0 459.207 4.708 20 0 JJADRN Cn1ccc(-c2nc(CNC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)cs2)n1 ZINC001455773434 1066429818 /nfs/dbraw/zinc/42/98/18/1066429818.db2.gz IXVAVDUOTJIDRF-UHFFFAOYSA-N 0 0 459.453 4.680 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC001546075957 1066429843 /nfs/dbraw/zinc/42/98/43/1066429843.db2.gz YYWNZFNUFCNENI-DHLKQENFSA-N 0 0 453.034 4.847 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 ZINC001546075959 1066429898 /nfs/dbraw/zinc/42/98/98/1066429898.db2.gz YYWNZFNUFCNENI-RDGATRHJSA-N 0 0 453.034 4.847 20 0 JJADRN O=C(N1Cc2ccccc2OC2(CCOCC2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001455783030 1066430682 /nfs/dbraw/zinc/43/06/82/1066430682.db2.gz ABQDCGHPYDKAID-UHFFFAOYSA-N 0 0 452.295 4.511 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)C1 ZINC001546075977 1066430724 /nfs/dbraw/zinc/43/07/24/1066430724.db2.gz ZJTKQVHSFIWFMD-RUZDIDTESA-N 0 0 458.050 4.941 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001455779248 1066430809 /nfs/dbraw/zinc/43/08/09/1066430809.db2.gz LENMXCBWWUUTIN-GOSISDBHSA-N 0 0 459.587 4.543 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCc3cc(OC)c(O)c(OC)c3)s2)cc1 ZINC001444214796 1066430859 /nfs/dbraw/zinc/43/08/59/1066430859.db2.gz KJRYLDINQLOKEL-CQSZACIVSA-N 0 0 456.564 4.660 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)C)n2Cc2ccc(N3CCCCC3)nc2)c1 ZINC001361145937 1066430861 /nfs/dbraw/zinc/43/08/61/1066430861.db2.gz NDHZTADCROTWNS-UHFFFAOYSA-N 0 0 462.642 5.000 20 0 JJADRN O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001455790302 1066431639 /nfs/dbraw/zinc/43/16/39/1066431639.db2.gz RRIFWRHCUCCETK-UZLBHIALSA-N 0 0 452.498 4.672 20 0 JJADRN CC(=O)Nc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)ccc1C ZINC001455790006 1066431684 /nfs/dbraw/zinc/43/16/84/1066431684.db2.gz CCNQSMUMOMRQLF-UHFFFAOYSA-N 0 0 459.974 4.774 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1scnc1C)OC ZINC001545966264 1066431640 /nfs/dbraw/zinc/43/16/40/1066431640.db2.gz AZOQLDNXMJSZGZ-HNNXBMFYSA-N 0 0 480.432 4.543 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361146247 1066432179 /nfs/dbraw/zinc/43/21/79/1066432179.db2.gz XMYGTAJLRPMGMG-FUPPJEDESA-N 0 0 470.658 4.929 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)(C)C)s1 ZINC001361146295 1066432199 /nfs/dbraw/zinc/43/21/99/1066432199.db2.gz YSLVMTFFOGTAGH-UHFFFAOYSA-N 0 0 469.655 4.785 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@]2(C)COCCO2)c1 ZINC001361146276 1066432300 /nfs/dbraw/zinc/43/23/00/1066432300.db2.gz YFCCIQTYWPWNJE-QHCPKHFHSA-N 0 0 477.030 4.631 20 0 JJADRN CN1CC[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c2ccccc21 ZINC001455794038 1066432400 /nfs/dbraw/zinc/43/24/00/1066432400.db2.gz PZCILEOYMDGDDF-OAQYLSRUSA-N 0 0 458.002 4.817 20 0 JJADRN Cc1ccc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1F ZINC001444243208 1066432921 /nfs/dbraw/zinc/43/29/21/1066432921.db2.gz TXUBEFNKSATGQD-INIZCTEOSA-N 0 0 457.546 4.619 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCc3ccc4ncccc4c3)cc2)c1C ZINC001455798964 1066432937 /nfs/dbraw/zinc/43/29/37/1066432937.db2.gz KWGISZYCYSUZMQ-UHFFFAOYSA-N 0 0 459.571 4.625 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc2ccc(OCC)cc2[nH]1)c1cccc(Br)c1 ZINC001546076265 1066432964 /nfs/dbraw/zinc/43/29/64/1066432964.db2.gz JPMPTXKBCPAKIK-LJQANCHMSA-N 0 0 459.340 4.753 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(C)on1)NC(=O)OC(C)(C)C ZINC001545966374 1066433029 /nfs/dbraw/zinc/43/30/29/1066433029.db2.gz CVFOZSKKVHYAAF-IBGZPJMESA-N 0 0 491.596 4.729 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NCCc2ccccn2)cc1 ZINC001444246627 1066433926 /nfs/dbraw/zinc/43/39/26/1066433926.db2.gz FXFNKQQCBQRXRJ-REWPJTCUSA-N 0 0 452.599 4.550 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(Br)cc(Br)c1N ZINC001444246393 1066433941 /nfs/dbraw/zinc/43/39/41/1066433941.db2.gz HCDSCMWQHKCNRS-ZYHUDNBSSA-N 0 0 456.153 4.951 20 0 JJADRN Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001444247345 1066434465 /nfs/dbraw/zinc/43/44/65/1066434465.db2.gz KOFGFCUMAUKQDF-HSZRJFAPSA-N 0 0 452.551 4.782 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545966404 1066434477 /nfs/dbraw/zinc/43/44/77/1066434477.db2.gz DDFLEGJRXLUIBF-AWEZNQCLSA-N 0 0 466.426 4.700 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545966405 1066434537 /nfs/dbraw/zinc/43/45/37/1066434537.db2.gz DDFLEGJRXLUIBF-CQSZACIVSA-N 0 0 466.426 4.700 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001455810858 1066435333 /nfs/dbraw/zinc/43/53/33/1066435333.db2.gz UQMGMAYHJSHIAX-SFHLNBCPSA-N 0 0 467.610 4.854 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H]2CCCCS2)c1 ZINC001361148403 1066435166 /nfs/dbraw/zinc/43/51/66/1066435166.db2.gz JODNNNRRLRXMRA-GOSISDBHSA-N 0 0 475.062 4.783 20 0 JJADRN CC(C)c1c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001455809166 1066435430 /nfs/dbraw/zinc/43/54/30/1066435430.db2.gz PKYVYBMXLRLVKG-QZTJIDSGSA-N 0 0 458.578 4.758 20 0 JJADRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC001444254901 1066435856 /nfs/dbraw/zinc/43/58/56/1066435856.db2.gz DGZCYMSYVRPRBD-QGZVFWFLSA-N 0 0 453.411 4.980 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H]1CCCOC1 ZINC001361148663 1066435942 /nfs/dbraw/zinc/43/59/42/1066435942.db2.gz RPLQFFGCQXSAEB-DENIHFKCSA-N 0 0 467.614 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CCN(C)CC(F)(F)F)c1 ZINC001361148800 1066437336 /nfs/dbraw/zinc/43/73/36/1066437336.db2.gz XBZPGEFXYYAJTI-FQEVSTJZSA-N 0 0 465.564 4.761 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ccc(O[C@H]3CC3(F)F)cc1)C2 ZINC001455816258 1066437527 /nfs/dbraw/zinc/43/75/27/1066437527.db2.gz HNZUZOQRNNKAPA-WMZHIEFXSA-N 0 0 450.526 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(SC(F)(F)F)nc1)C2 ZINC001455816163 1066437594 /nfs/dbraw/zinc/43/75/94/1066437594.db2.gz DVYLVBZUJFNIGH-FQEVSTJZSA-N 0 0 459.534 4.947 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001455818042 1066437602 /nfs/dbraw/zinc/43/76/02/1066437602.db2.gz ONJZRUZDHSUMHA-UNVFRBQDSA-N 0 0 479.662 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361148931 1066438095 /nfs/dbraw/zinc/43/80/95/1066438095.db2.gz BYQGFKBNUQQHAP-WKCHPHFGSA-N 0 0 469.655 4.813 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)[nH]c1=O ZINC001455821662 1066438287 /nfs/dbraw/zinc/43/82/87/1066438287.db2.gz AZSUYNMVTJDGFQ-KSFYIVLOSA-N 0 0 453.583 4.816 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cccc(Nc4cccc(C)c4)c3C)CC2=O)cc1 ZINC001455820947 1066438329 /nfs/dbraw/zinc/43/83/29/1066438329.db2.gz BWQJJWDHEGBXBQ-FQEVSTJZSA-N 0 0 456.546 4.997 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c([nH]c1=O)CCC(C)(C)C3)C2 ZINC001455823319 1066438760 /nfs/dbraw/zinc/43/87/60/1066438760.db2.gz IZRHHKSTPAKZNM-SANMLTNESA-N 0 0 457.615 4.555 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361149346 1066439460 /nfs/dbraw/zinc/43/94/60/1066439460.db2.gz RTNRBYRUHLXRNX-UHFFFAOYSA-N 0 0 463.626 4.710 20 0 JJADRN Cc1cccc(Nc2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)c2C)c1 ZINC001455831853 1066439586 /nfs/dbraw/zinc/43/95/86/1066439586.db2.gz VMBGTCVIVMICBE-UHFFFAOYSA-N 0 0 451.592 4.923 20 0 JJADRN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001455831014 1066439731 /nfs/dbraw/zinc/43/97/31/1066439731.db2.gz OZDKYQZJEMUXCU-RISCZKNCSA-N 0 0 459.431 4.661 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ncc(-c3ccccc3C)s2)cc1 ZINC001361149588 1066439917 /nfs/dbraw/zinc/43/99/17/1066439917.db2.gz FDLYNFNELGRZBE-UHFFFAOYSA-N 0 0 457.621 4.720 20 0 JJADRN CCN(C(=O)CNC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)[nH]c1=O)c1ccccc1 ZINC001455837731 1066440252 /nfs/dbraw/zinc/44/02/52/1066440252.db2.gz YJKMPGJAMXMXOO-UHFFFAOYSA-N 0 0 458.562 4.501 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC001444270127 1066440456 /nfs/dbraw/zinc/44/04/56/1066440456.db2.gz HANKKSPQNBQUJO-OAHLLOKOSA-N 0 0 456.340 4.529 20 0 JJADRN CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)cn1 ZINC001361149975 1066440713 /nfs/dbraw/zinc/44/07/13/1066440713.db2.gz OKOGICJSVJRZRB-UHFFFAOYSA-N 0 0 458.952 4.636 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=CCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 ZINC001361151047 1066441334 /nfs/dbraw/zinc/44/13/34/1066441334.db2.gz APVOZVCXNJYABZ-IRLDBZIGSA-N 0 0 481.641 4.886 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3CCC(CCc4ccccc4)CC3)cc21 ZINC001455851938 1066441210 /nfs/dbraw/zinc/44/12/10/1066441210.db2.gz AMMGAAIVSVQKMT-OAQYLSRUSA-N 0 0 452.599 4.728 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001546076850 1066441257 /nfs/dbraw/zinc/44/12/57/1066441257.db2.gz BRDCHVRTFDTEDE-XMMPIXPASA-N 0 0 457.525 4.571 20 0 JJADRN O=C(N[C@H](CCO)C(F)(F)F)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001455850789 1066441341 /nfs/dbraw/zinc/44/13/41/1066441341.db2.gz VVLZCALRWJHZOL-GOSISDBHSA-N 0 0 453.258 4.707 20 0 JJADRN CCc1c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cnn1-c1ccccc1OC ZINC001444270935 1066441316 /nfs/dbraw/zinc/44/13/16/1066441316.db2.gz WARALFGWPGMPDE-UHFFFAOYSA-N 0 0 455.440 4.900 20 0 JJADRN Cn1c(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)nc2cc(F)ccc21 ZINC001444273021 1066442077 /nfs/dbraw/zinc/44/20/77/1066442077.db2.gz KTHGYKQTUZRURQ-UHFFFAOYSA-N 0 0 455.287 4.592 20 0 JJADRN CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444284433 1066443294 /nfs/dbraw/zinc/44/32/94/1066443294.db2.gz UVYVWZKALZDXQM-UHFFFAOYSA-N 0 0 458.444 4.871 20 0 JJADRN C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Nc4ccc(C(F)(F)F)cn4)cc3)ccc2N1C ZINC001444287818 1066443425 /nfs/dbraw/zinc/44/34/25/1066443425.db2.gz ZBROCWXELAMZOI-CYBMUJFWSA-N 0 0 455.440 4.873 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001444284425 1066443512 /nfs/dbraw/zinc/44/35/12/1066443512.db2.gz UTUXOJCQYGGODN-UHFFFAOYSA-N 0 0 456.346 4.663 20 0 JJADRN CN(CCOc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1)C(=O)OC(C)(C)C ZINC001455874230 1066443867 /nfs/dbraw/zinc/44/38/67/1066443867.db2.gz SNFUCUUHFVAHQC-JTSKRJEESA-N 0 0 456.505 4.737 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1)OC ZINC001545966609 1066444682 /nfs/dbraw/zinc/44/46/82/1066444682.db2.gz HLQBGWSSYQUMTL-DWLFOUALSA-N 0 0 487.645 4.508 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)C12CCCCC2 ZINC001444297324 1066444742 /nfs/dbraw/zinc/44/47/42/1066444742.db2.gz XJZLBAXKMSERHK-MYSJAJEPSA-N 0 0 456.627 4.713 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(C)C)CC3)n2CCn2cc(Cl)cn2)c1 ZINC001361151930 1066444656 /nfs/dbraw/zinc/44/46/56/1066444656.db2.gz GKHJYAZJNAEYSM-UHFFFAOYSA-N 0 0 457.022 4.896 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](c4ccco4)C3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361151969 1066444679 /nfs/dbraw/zinc/44/46/79/1066444679.db2.gz 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0 0 450.505 4.742 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C12CCCCC2 ZINC001444311757 1066446123 /nfs/dbraw/zinc/44/61/23/1066446123.db2.gz SGJZNGCKWIRZTE-LWSSLDFYSA-N 0 0 470.654 4.956 20 0 JJADRN CCCCCCn1nc(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)c2ccccc2c1=O ZINC001455890946 1066446645 /nfs/dbraw/zinc/44/66/45/1066446645.db2.gz SIBXORKQBLMJAF-LJQANCHMSA-N 0 0 452.624 4.837 20 0 JJADRN O=C(/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001444315851 1066446693 /nfs/dbraw/zinc/44/66/93/1066446693.db2.gz BFCLIGIJSUVXBZ-ZDLGFXPLSA-N 0 0 458.814 4.679 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@]2(C)CCCS2)c1 ZINC001361152840 1066447339 /nfs/dbraw/zinc/44/73/39/1066447339.db2.gz XJAPONVRIJCHRK-JLMWRMLUSA-N 0 0 484.588 4.916 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C)CC3)n2CCC(=O)N2CCCCC2)c1 ZINC001361152920 1066447942 /nfs/dbraw/zinc/44/79/42/1066447942.db2.gz SIRXJVRPYPUGCL-UHFFFAOYSA-N 0 0 453.631 4.503 20 0 JJADRN 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ZINC001455913048 1066450032 /nfs/dbraw/zinc/45/00/32/1066450032.db2.gz KBIFACJESKLFCB-INIZCTEOSA-N 0 0 453.589 4.834 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCOC2CCOCC2)c1 ZINC001361153456 1066450066 /nfs/dbraw/zinc/45/00/66/1066450066.db2.gz ZURLVMSDEOKTKJ-QFIPXVFZSA-N 0 0 470.658 4.932 20 0 JJADRN Cn1cnc(-c2ccc(C(=O)O[C@H](c3cc(Br)ccc3F)C(F)(F)F)cc2)n1 ZINC001361153564 1066450089 /nfs/dbraw/zinc/45/00/89/1066450089.db2.gz JJTABQREIZXDAE-OAHLLOKOSA-N 0 0 458.209 4.844 20 0 JJADRN COc1cccc(C2=NO[C@@H](C(=O)O[C@H](c3ccc(Br)cc3)C(F)(F)F)C2)c1 ZINC001361153576 1066450106 /nfs/dbraw/zinc/45/01/06/1066450106.db2.gz JSACIXFZKHAVRT-IAGOWNOFSA-N 0 0 458.230 4.798 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc(CNC(=O)OC(C)(C)C)n1C ZINC001444329616 1066450264 /nfs/dbraw/zinc/45/02/64/1066450264.db2.gz OOWTUMDLDZNNDJ-MRXNPFEDSA-N 0 0 453.587 4.780 20 0 JJADRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC001444331693 1066450375 /nfs/dbraw/zinc/45/03/75/1066450375.db2.gz YCXVEHACUALCCZ-CQSZACIVSA-N 0 0 454.987 4.695 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(Oc4ccccc4F)c(F)c3)CC2=O)cc1F ZINC001361154098 1066450441 /nfs/dbraw/zinc/45/04/41/1066450441.db2.gz BHZQWQCIFVGGPJ-QGZVFWFLSA-N 0 0 454.448 4.874 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCC(C(=O)OC(C)C)CC3)c2)cc1 ZINC001455913608 1066450427 /nfs/dbraw/zinc/45/04/27/1066450427.db2.gz BWDXHUFBECRKRX-UHFFFAOYSA-N 0 0 451.563 4.591 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)c1 ZINC001444335190 1066451273 /nfs/dbraw/zinc/45/12/73/1066451273.db2.gz CCFOPWXWGHQQGJ-OAQYLSRUSA-N 0 0 455.352 4.728 20 0 JJADRN O=C(c1cc(I)c[nH]1)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC001444336297 1066451331 /nfs/dbraw/zinc/45/13/31/1066451331.db2.gz RYOUFKZQVIZRTP-UHFFFAOYSA-N 0 0 457.315 4.676 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1C ZINC001361154825 1066451504 /nfs/dbraw/zinc/45/15/04/1066451504.db2.gz UYCVDVCAGCBHQQ-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1 ZINC001455921175 1066451605 /nfs/dbraw/zinc/45/16/05/1066451605.db2.gz RSOULSDHVPXAGA-PAVKVFCFSA-N 0 0 456.608 4.826 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2CCCCC2)c1 ZINC001361154670 1066451689 /nfs/dbraw/zinc/45/16/89/1066451689.db2.gz DGQLWQYTUMVSNQ-UHFFFAOYSA-N 0 0 467.658 4.795 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(F)(F)C3)n2Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC001361154995 1066452526 /nfs/dbraw/zinc/45/25/26/1066452526.db2.gz IJMBYEVFTYTRJL-UHFFFAOYSA-N 0 0 497.468 4.704 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001444345748 1066452646 /nfs/dbraw/zinc/45/26/46/1066452646.db2.gz WIRSAPREOIKKAN-OAOOKAIFSA-N 0 0 457.412 4.934 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC001455929018 1066453049 /nfs/dbraw/zinc/45/30/49/1066453049.db2.gz OYTKOCZWCNBDOW-NCXUSEDFSA-N 0 0 455.624 4.965 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001444348938 1066453073 /nfs/dbraw/zinc/45/30/73/1066453073.db2.gz GUMIARAEZMTQHM-VPWXQRGCSA-N 0 0 474.989 4.632 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001444354031 1066453876 /nfs/dbraw/zinc/45/38/76/1066453876.db2.gz SBAJGFGWLJBISE-UHFFFAOYSA-N 0 0 458.486 4.807 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC001455932593 1066453808 /nfs/dbraw/zinc/45/38/08/1066453808.db2.gz ZBLKTHHQJANNIG-UHFFFAOYSA-N 0 0 456.539 4.524 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)N(C)C(=O)OC(C)(C)C ZINC001455932322 1066453834 /nfs/dbraw/zinc/45/38/34/1066453834.db2.gz JOAGFVOTZNPPIS-XJKSGUPXSA-N 0 0 453.377 4.567 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1 ZINC001455934175 1066454134 /nfs/dbraw/zinc/45/41/34/1066454134.db2.gz PFKZDBNFMQXJDA-UHFFFAOYSA-N 0 0 456.539 4.534 20 0 JJADRN CCOC(=O)N(C)CCCC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 ZINC001455934481 1066454355 /nfs/dbraw/zinc/45/43/55/1066454355.db2.gz SSTPHDKBAWYQCN-UHFFFAOYSA-N 0 0 451.523 4.629 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCc2ccc(Cl)s2)c1 ZINC001361155421 1066454378 /nfs/dbraw/zinc/45/43/78/1066454378.db2.gz CBNCOMWLHGYQOW-SFHVURJKSA-N 0 0 488.057 4.523 20 0 JJADRN Cc1nnsc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001361155453 1066455191 /nfs/dbraw/zinc/45/51/91/1066455191.db2.gz UJSASUIQJRJDJS-UHFFFAOYSA-N 0 0 465.410 4.581 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001361155615 1066455207 /nfs/dbraw/zinc/45/52/07/1066455207.db2.gz FFQFTEMZIZCQDT-GOSISDBHSA-N 0 0 497.562 4.777 20 0 JJADRN Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001444360877 1066455217 /nfs/dbraw/zinc/45/52/17/1066455217.db2.gz KFDGFFDKWJLSBV-LJQANCHMSA-N 0 0 454.567 4.947 20 0 JJADRN Cc1cnn(-c2ccc(NC(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc2F)c1 ZINC001444360810 1066455234 /nfs/dbraw/zinc/45/52/34/1066455234.db2.gz PEOKMTWRIQUUQS-QFIPXVFZSA-N 0 0 450.514 4.793 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCC(C)C)c1 ZINC001361155729 1066455713 /nfs/dbraw/zinc/45/57/13/1066455713.db2.gz YYELHILTSWCYEU-UHFFFAOYSA-N 0 0 454.537 4.804 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001455936390 1066455715 /nfs/dbraw/zinc/45/57/15/1066455715.db2.gz URESHQCKCKZYMB-GBXCKJPGSA-N 0 0 452.595 4.912 20 0 JJADRN CCCCCN(Cc1ccc(Cl)cc1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001444369532 1066456006 /nfs/dbraw/zinc/45/60/06/1066456006.db2.gz ZOHRAQFZACFEDG-UHFFFAOYSA-N 0 0 452.039 4.848 20 0 JJADRN CC[C@@H](CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)Cc1cccc(Br)c1 ZINC001444366117 1066456034 /nfs/dbraw/zinc/45/60/34/1066456034.db2.gz QMUMZUGAENAVPB-JKSUJKDBSA-N 0 0 453.421 4.922 20 0 JJADRN Cc1sc(CCNC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)nc1-c1ccccc1 ZINC001444380395 1066456140 /nfs/dbraw/zinc/45/61/40/1066456140.db2.gz AKEGFLDSPKHDGK-UHFFFAOYSA-N 0 0 457.983 4.697 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001361155812 1066456275 /nfs/dbraw/zinc/45/62/75/1066456275.db2.gz GVGXBSGSZGTAQM-FQEVSTJZSA-N 0 0 475.431 4.778 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001361155808 1066456392 /nfs/dbraw/zinc/45/63/92/1066456392.db2.gz GUTLLIISCLIUCH-HOYKHHGWSA-N 0 0 476.593 4.925 20 0 JJADRN Cc1sc(CCNC(=O)c2ccc3cncc(Br)c3n2)nc1-c1ccccc1 ZINC001444387700 1066456636 /nfs/dbraw/zinc/45/66/36/1066456636.db2.gz MFLQAGIPVFIZTA-UHFFFAOYSA-N 0 0 453.365 4.797 20 0 JJADRN CC(C)(C)OCc1ccccc1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC001455943937 1066457028 /nfs/dbraw/zinc/45/70/28/1066457028.db2.gz NILXVOSIOCMWOA-UHFFFAOYSA-N 0 0 459.395 4.616 20 0 JJADRN CSCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC001455947645 1066457735 /nfs/dbraw/zinc/45/77/35/1066457735.db2.gz HLMNXTVCPJCTAU-OAHLLOKOSA-N 0 0 453.029 4.876 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001545967035 1066458104 /nfs/dbraw/zinc/45/81/04/1066458104.db2.gz OTZAQTYKWYPLAP-PKOBYXMFSA-N 0 0 471.602 4.604 20 0 JJADRN COc1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001455948371 1066458120 /nfs/dbraw/zinc/45/81/20/1066458120.db2.gz LXLJZECVZMZDCQ-YLJYHZDGSA-N 0 0 450.645 4.641 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001361156280 1066458248 /nfs/dbraw/zinc/45/82/48/1066458248.db2.gz RPRPWCICXGBMNV-NMMYMHLASA-N 0 0 496.574 4.573 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(C)C)C1 ZINC001546077851 1066458943 /nfs/dbraw/zinc/45/89/43/1066458943.db2.gz XDXWNAYUXLQXTE-RUZDIDTESA-N 0 0 467.639 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(F)(F)F ZINC001455951363 1066458974 /nfs/dbraw/zinc/45/89/74/1066458974.db2.gz IYNDFEATYGQGBB-TZYHBYERSA-N 0 0 452.517 4.729 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545967070 1066459011 /nfs/dbraw/zinc/45/90/11/1066459011.db2.gz PMDCCMIXWYJIOT-CEWLAPEOSA-N 0 0 487.645 4.508 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001361156556 1066459359 /nfs/dbraw/zinc/45/93/59/1066459359.db2.gz YJFXAXFTNMZBOA-UMTXDNHDSA-N 0 0 470.658 4.809 20 0 JJADRN C/C(=C\C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1)c1ccccc1C(F)(F)F ZINC001444405530 1066459316 /nfs/dbraw/zinc/45/93/16/1066459316.db2.gz SBFOHNARFJSHHM-JQIJEIRASA-N 0 0 450.505 4.524 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1F ZINC001444407036 1066459448 /nfs/dbraw/zinc/45/94/48/1066459448.db2.gz KUHWLVWQJWQRJO-UHFFFAOYSA-N 0 0 453.466 4.785 20 0 JJADRN Cc1noc(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001361156627 1066459872 /nfs/dbraw/zinc/45/98/72/1066459872.db2.gz ZTPBGIUHTPAIRJ-SFHVURJKSA-N 0 0 478.519 4.577 20 0 JJADRN O=C(OCc1ccc(Br)cc1)c1ccccc1OC(=O)c1cnc2cc[nH]c2c1 ZINC001455957256 1066460708 /nfs/dbraw/zinc/46/07/08/1066460708.db2.gz DBBLONNSVOTEEX-UHFFFAOYSA-N 0 0 451.276 4.902 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1cnn(Cc2cccnc2)c1 ZINC001455958027 1066460755 /nfs/dbraw/zinc/46/07/55/1066460755.db2.gz VTRFSKNPDABVAJ-UHFFFAOYSA-N 0 0 457.918 4.588 20 0 JJADRN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC001444414849 1066460791 /nfs/dbraw/zinc/46/07/91/1066460791.db2.gz WHCMGLGGJCTHDK-ZDUSSCGKSA-N 0 0 451.386 4.727 20 0 JJADRN Cc1nn(-c2ccc(C(=O)OCc3nc(-c4ccccc4)no3)cc2)c(C)c1Br ZINC001455961869 1066461276 /nfs/dbraw/zinc/46/12/76/1066461276.db2.gz XGSYAUNTDPJZGK-UHFFFAOYSA-N 0 0 453.296 4.659 20 0 JJADRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2cc(Cl)ccc2n1C ZINC001361158003 1066461305 /nfs/dbraw/zinc/46/13/05/1066461305.db2.gz ZJALOVYNPYOZAU-RYUDHWBXSA-N 0 0 450.297 4.677 20 0 JJADRN COc1ccc(/C=C(\C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)c2cccs2)cc1 ZINC001444433394 1066461200 /nfs/dbraw/zinc/46/12/00/1066461200.db2.gz CQSCLBLYQLDCGV-QJOMJCCJSA-N 0 0 458.587 4.814 20 0 JJADRN Nc1cc(CCCNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1 ZINC001444428893 1066461295 /nfs/dbraw/zinc/46/12/95/1066461295.db2.gz IBWNTJGCDJEDJN-UHFFFAOYSA-N 0 0 459.377 4.863 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2ccc(S(C)(=O)=O)s2)n(Cc2ccccc2)n1 ZINC001455965308 1066461858 /nfs/dbraw/zinc/46/18/58/1066461858.db2.gz MGNXAQVELKOFAC-UHFFFAOYSA-N 0 0 451.573 4.624 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361158761 1066461688 /nfs/dbraw/zinc/46/16/88/1066461688.db2.gz GHZCFAOHACNMMQ-NRFANRHFSA-N 0 0 499.725 4.700 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC001361158845 1066461867 /nfs/dbraw/zinc/46/18/67/1066461867.db2.gz YQGOKWXPXASBSL-UHFFFAOYSA-N 0 0 454.514 4.544 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC001455964276 1066461933 /nfs/dbraw/zinc/46/19/33/1066461933.db2.gz LIAOMWADRKWOMO-JOCHJYFZSA-N 0 0 457.615 4.669 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CC(F)(F)Br)c1 ZINC001361158932 1066462635 /nfs/dbraw/zinc/46/26/35/1066462635.db2.gz IYUYXQIIKVHCAY-KRWDZBQOSA-N 0 0 495.372 4.537 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2CCCC(=O)N(C)C)c1 ZINC001361158974 1066462642 /nfs/dbraw/zinc/46/26/42/1066462642.db2.gz KSPKLLNELBBIQX-MHZLTWQESA-N 0 0 465.642 4.669 20 0 JJADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001455967524 1066463268 /nfs/dbraw/zinc/46/32/68/1066463268.db2.gz IHNJEPCTBDFZPN-NHYWBVRUSA-N 0 0 459.292 4.643 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)ccc2Oc2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001455967317 1066463289 /nfs/dbraw/zinc/46/32/89/1066463289.db2.gz LADOBYFDXFPUQR-UHFFFAOYSA-N 0 0 450.445 4.988 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361159116 1066463197 /nfs/dbraw/zinc/46/31/97/1066463197.db2.gz PESSGXANRUGCQU-PZJWPPBQSA-N 0 0 479.591 4.985 20 0 JJADRN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC001455967352 1066463298 /nfs/dbraw/zinc/46/32/98/1066463298.db2.gz ZKQUXQOOOBDJKC-UHFFFAOYSA-N 0 0 458.320 4.793 20 0 JJADRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C(F)(F)c4ccc(C)cc4)cc32)c1 ZINC001455969581 1066463768 /nfs/dbraw/zinc/46/37/68/1066463768.db2.gz WGMRKQCRZAIMEU-UHFFFAOYSA-N 0 0 450.485 4.866 20 0 JJADRN Cn1c(CNC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)nc2ccccc21 ZINC001455971520 1066463963 /nfs/dbraw/zinc/46/39/63/1066463963.db2.gz XDYFLCVBDUVRCH-UHFFFAOYSA-N 0 0 456.329 4.980 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCCCCC3)n2CCNC(=O)c2cccs2)c1 ZINC001361159205 1066463899 /nfs/dbraw/zinc/46/38/99/1066463899.db2.gz RZNCSVFYORATRA-UHFFFAOYSA-N 0 0 467.639 4.736 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545967401 1066464537 /nfs/dbraw/zinc/46/45/37/1066464537.db2.gz WTEOBRMLIMONSF-YFVAEKQCSA-N 0 0 455.603 4.636 20 0 JJADRN CC[C@H]1C[C@@H](CC(=O)Nc2cc(I)ccc2Br)CCO1 ZINC001455972900 1066464500 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459.525 4.518 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccccc1S(=O)(=O)C(F)F ZINC001455978503 1066465913 /nfs/dbraw/zinc/46/59/13/1066465913.db2.gz RHNBZDIVHGTREM-UHFFFAOYSA-N 0 0 453.413 4.792 20 0 JJADRN Nc1c(Br)cc(Br)cc1CNC(=O)c1[nH]c2ccccc2c1Cl ZINC001455984101 1066466576 /nfs/dbraw/zinc/46/65/76/1066466576.db2.gz HLLBPJWNUHXABN-UHFFFAOYSA-N 0 0 457.553 4.859 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCSC(C)C)c1 ZINC001361160039 1066466523 /nfs/dbraw/zinc/46/65/23/1066466523.db2.gz RZYHFQSWEWOGAO-LJQANCHMSA-N 0 0 485.620 4.688 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 ZINC001444493298 1066466833 /nfs/dbraw/zinc/46/68/33/1066466833.db2.gz XGBZXPDOSCXTQH-FQEVSTJZSA-N 0 0 454.571 4.950 20 0 JJADRN COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1cc(OC)c(OC)cc1SC ZINC001444489732 1066466899 /nfs/dbraw/zinc/46/68/99/1066466899.db2.gz QEXYJRBPZUBOHU-UHFFFAOYSA-N 0 0 453.564 4.845 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001546078251 1066467033 /nfs/dbraw/zinc/46/70/33/1066467033.db2.gz IUEGFJOLKXEXPQ-OAHLLOKOSA-N 0 0 451.350 4.838 20 0 JJADRN O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001546078250 1066467044 /nfs/dbraw/zinc/46/70/44/1066467044.db2.gz IUEGFJOLKXEXPQ-HNNXBMFYSA-N 0 0 451.350 4.838 20 0 JJADRN C[C@@H](OC(=O)[C@]1(C)CC1(Br)Br)c1nc2cc(Cl)ccc2n1C ZINC001361161317 1066467071 /nfs/dbraw/zinc/46/70/71/1066467071.db2.gz WYMALVAHXQEZMP-CLAHSXSESA-N 0 0 450.558 4.727 20 0 JJADRN CN(CCc1ccccc1C(=O)N1CC[C@@H](COCc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001361161783 1066467832 /nfs/dbraw/zinc/46/78/32/1066467832.db2.gz XYIAYEAZWVAFBI-JOCHJYFZSA-N 0 0 452.595 4.775 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@]2(C)CCCS2)c1 ZINC001361162025 1066468406 /nfs/dbraw/zinc/46/84/06/1066468406.db2.gz GCVUZIMTZMYAOP-NQIIRXRSSA-N 0 0 470.561 4.527 20 0 JJADRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC001455991106 1066468484 /nfs/dbraw/zinc/46/84/84/1066468484.db2.gz CMRJCIDEZTVKMT-IFMALSPDSA-N 0 0 458.624 4.605 20 0 JJADRN Cc1c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cnn1-c1cccc(Br)c1 ZINC001361161821 1066468487 /nfs/dbraw/zinc/46/84/87/1066468487.db2.gz ZLZKFCOFAKBVEJ-HNNXBMFYSA-N 0 0 450.340 4.620 20 0 JJADRN C[C@H](C(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1)c1ccc(Br)cc1 ZINC001455993846 1066469098 /nfs/dbraw/zinc/46/90/98/1066469098.db2.gz VSJDTFYMVAVWRI-AWEZNQCLSA-N 0 0 459.413 4.553 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[C@H]2CCCCO2)c1 ZINC001361162217 1066469631 /nfs/dbraw/zinc/46/96/31/1066469631.db2.gz KSQDLCMIBIYLOR-ISKFKSNPSA-N 0 0 456.631 4.684 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001444508410 1066469588 /nfs/dbraw/zinc/46/95/88/1066469588.db2.gz MOTHWSATKKWOBA-LDBCMITESA-N 0 0 477.443 4.998 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001455999371 1066469673 /nfs/dbraw/zinc/46/96/73/1066469673.db2.gz AMBFHTZMWRQBSF-KAGYGMCKSA-N 0 0 452.599 4.554 20 0 JJADRN C[C@@H]1Cn2nc(C(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001455999365 1066469722 /nfs/dbraw/zinc/46/97/22/1066469722.db2.gz AMBFHTZMWRQBSF-CBQOVEMMSA-N 0 0 452.599 4.554 20 0 JJADRN CCCN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509020 1066470102 /nfs/dbraw/zinc/47/01/02/1066470102.db2.gz PXFJLQXROMVVFY-QRWLVFNGSA-N 0 0 453.414 4.790 20 0 JJADRN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccnn1CC(F)(F)F ZINC001456004035 1066470269 /nfs/dbraw/zinc/47/02/69/1066470269.db2.gz JHSGSFFHVQRBCF-UHFFFAOYSA-N 0 0 451.758 4.770 20 0 JJADRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1 ZINC001456004494 1066470311 /nfs/dbraw/zinc/47/03/11/1066470311.db2.gz GCIIIMSMVNQUIC-UHFFFAOYSA-N 0 0 457.939 4.664 20 0 JJADRN CC[C@@H](CNC(=O)CSc1ncnc2scc(-c3ccccc3)c21)C(=O)OC(C)(C)C ZINC001456003060 1066470342 /nfs/dbraw/zinc/47/03/42/1066470342.db2.gz UWPUJMNQBUPLOV-HNNXBMFYSA-N 0 0 457.621 4.935 20 0 JJADRN COC(=O)c1ccc(/C=C\C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)o1 ZINC001456003671 1066470425 /nfs/dbraw/zinc/47/04/25/1066470425.db2.gz HIQOONFHKBJIMG-NTMALXAHSA-N 0 0 453.804 4.791 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCOc2ncccc2F)c1 ZINC001361162910 1066470965 /nfs/dbraw/zinc/47/09/65/1066470965.db2.gz SYOUYGAIRRQYJA-MHZLTWQESA-N 0 0 497.615 4.728 20 0 JJADRN Cc1ncsc1CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001361163059 1066471510 /nfs/dbraw/zinc/47/15/10/1066471510.db2.gz UTZFPQSMDXCKSJ-QFIPXVFZSA-N 0 0 469.655 4.733 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)C(F)(F)c1ccccc1OC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012787 1066472541 /nfs/dbraw/zinc/47/25/41/1066472541.db2.gz BNGSOWCXVDFZCI-HTAPYJJXSA-N 0 0 459.537 4.557 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COc1cccc(Cl)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012374 1066472579 /nfs/dbraw/zinc/47/25/79/1066472579.db2.gz ABLUQIKCPYNYEJ-XDHUDOTRSA-N 0 0 458.002 4.797 20 0 JJADRN Cc1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc1NC(=O)c1ccccc1 ZINC001456012751 1066472590 /nfs/dbraw/zinc/47/25/90/1066472590.db2.gz ZWXVNGFNTDMFOM-UHFFFAOYSA-N 0 0 458.558 4.873 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)[C@H](C)NC(=O)c3ccc(Br)s3)cc2)c1 ZINC001444533967 1066472628 /nfs/dbraw/zinc/47/26/28/1066472628.db2.gz PWVZWZIBCZALNC-HNNXBMFYSA-N 0 0 457.393 4.921 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC4(C3)CCCCCC4)n2CCOC(C)C)c1 ZINC001361163379 1066472741 /nfs/dbraw/zinc/47/27/41/1066472741.db2.gz XNZKCNUKLZFQCP-UHFFFAOYSA-N 0 0 456.631 4.829 20 0 JJADRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC001456014859 1066473211 /nfs/dbraw/zinc/47/32/11/1066473211.db2.gz ADJZODFAPWBORV-UHFFFAOYSA-N 0 0 456.974 4.647 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456015960 1066473977 /nfs/dbraw/zinc/47/39/77/1066473977.db2.gz KVLYMUKCPIFOJI-JLPWOHBFSA-N 0 0 455.549 4.838 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001361164019 1066473988 /nfs/dbraw/zinc/47/39/88/1066473988.db2.gz SVFULDLBVWRKDH-QZNHQXDQSA-N 0 0 470.658 4.929 20 0 JJADRN Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)sc1Br ZINC001361163987 1066474117 /nfs/dbraw/zinc/47/41/17/1066474117.db2.gz YNWRNRWSXRPHAI-UHFFFAOYSA-N 0 0 454.342 4.536 20 0 JJADRN CN(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(C(F)(F)F)c1 ZINC001456015892 1066474067 /nfs/dbraw/zinc/47/40/67/1066474067.db2.gz DPTZNSSTHAERJZ-JOCHJYFZSA-N 0 0 455.480 4.751 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC ZINC001456017005 1066474834 /nfs/dbraw/zinc/47/48/34/1066474834.db2.gz IQCBXYLUEXDAGG-UHFFFAOYSA-N 0 0 456.546 4.659 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001456018234 1066475687 /nfs/dbraw/zinc/47/56/87/1066475687.db2.gz LBVWHZRQOMXIOJ-AWEZNQCLSA-N 0 0 455.386 4.848 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3ccn(C)n3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC001361165640 1066476230 /nfs/dbraw/zinc/47/62/30/1066476230.db2.gz JNTVJIGDZYZDAB-CVDCTZTESA-N 0 0 452.603 4.792 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(Nc3cnn(C)c3)n2Cc2cc(Br)cs2)c1 ZINC001361165809 1066477064 /nfs/dbraw/zinc/47/70/64/1066477064.db2.gz LDEZMEVVIKFSOL-UHFFFAOYSA-N 0 0 473.400 4.823 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc([C@@H]4CCOC4)n3CCCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166043 1066477133 /nfs/dbraw/zinc/47/71/33/1066477133.db2.gz OPAYNCXYRQWMBC-HXUWFJFHSA-N 0 0 479.591 4.533 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456019967 1066477006 /nfs/dbraw/zinc/47/70/06/1066477006.db2.gz VMVGUHVLBLKHIZ-NTKDMRAZSA-N 0 0 451.586 4.918 20 0 JJADRN Cc1cc(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)ccc1OCC(F)(F)F ZINC001444566318 1066477105 /nfs/dbraw/zinc/47/71/05/1066477105.db2.gz MGMSUOJAROGKIR-UHFFFAOYSA-N 0 0 451.470 4.847 20 0 JJADRN CC(C)n1c(CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)nc2ccccc21 ZINC001444563971 1066477281 /nfs/dbraw/zinc/47/72/81/1066477281.db2.gz HQXYUKBYCJMZME-UHFFFAOYSA-N 0 0 452.356 4.538 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456020695 1066477648 /nfs/dbraw/zinc/47/76/48/1066477648.db2.gz XKGOMUKHOSAWFK-RUZDIDTESA-N 0 0 452.558 4.528 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCO[C@@H]3C(C)C)CC2)cc1 ZINC001361166270 1066477647 /nfs/dbraw/zinc/47/76/47/1066477647.db2.gz RYQDKHXAXYYDNG-ISKFKSNPSA-N 0 0 481.685 4.734 20 0 JJADRN Cc1cc(NC(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)ccc1OCC(F)(F)F ZINC001444569131 1066477697 /nfs/dbraw/zinc/47/76/97/1066477697.db2.gz PHDTWMXHHGASNX-UHFFFAOYSA-N 0 0 456.465 4.588 20 0 JJADRN Cc1ccc(C2(C)CCN(c3nnc(-c4ccccn4)n3CCN(C)CC(F)(F)F)CC2)cc1 ZINC001361166479 1066477673 /nfs/dbraw/zinc/47/76/73/1066477673.db2.gz WBJFNPILVVHSHV-UHFFFAOYSA-N 0 0 472.559 4.701 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001456020767 1066477683 /nfs/dbraw/zinc/47/76/83/1066477683.db2.gz SUJUBMUYMSFWDR-FGSXEWAUSA-N 0 0 453.421 4.782 20 0 JJADRN Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCN(CC(C)C)C(=O)[C@@H]3C)co2)cc1 ZINC001361166854 1066478318 /nfs/dbraw/zinc/47/83/18/1066478318.db2.gz ARZLZNHWQMRWOU-NRFANRHFSA-N 0 0 492.668 4.766 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC4CCCC4)n3CCCN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361166882 1066478441 /nfs/dbraw/zinc/47/84/41/1066478441.db2.gz BBVAJSVSHHPOCA-MUUNZHRXSA-N 0 0 497.684 4.674 20 0 JJADRN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)[nH]1 ZINC001444572617 1066478467 /nfs/dbraw/zinc/47/84/67/1066478467.db2.gz TWFPVIQLGQIEJC-UHFFFAOYSA-N 0 0 458.522 4.539 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(I)cc1OC ZINC001456022426 1066479145 /nfs/dbraw/zinc/47/91/45/1066479145.db2.gz ZTCZCTLGSVDTTC-KRWDZBQOSA-N 0 0 451.304 4.676 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC001444594608 1066479324 /nfs/dbraw/zinc/47/93/24/1066479324.db2.gz AJVLNYLFZWVHEU-BXUZGUMPSA-N 0 0 450.885 4.849 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(CC(C)C)n3CCc3nc(C(F)(F)F)cs3)C2)cc1 ZINC001361166911 1066479406 /nfs/dbraw/zinc/47/94/06/1066479406.db2.gz BRGLDRQFCQNEPF-JOCHJYFZSA-N 0 0 479.572 4.601 20 0 JJADRN COc1ccc(-c2nc(NC(=O)Cc3cccc(OCc4ccccc4C)c3)n[nH]2)cc1OC ZINC001444587115 1066479502 /nfs/dbraw/zinc/47/95/02/1066479502.db2.gz TYMMGFJUUQXFNQ-UHFFFAOYSA-N 0 0 458.518 4.558 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)(C)C)n3CCN(C(=O)OC(C)(C)C)C3CC3)C2)cc1 ZINC001361167082 1066479862 /nfs/dbraw/zinc/47/98/62/1066479862.db2.gz GODRXGODCNLKKX-NDEPHWFRSA-N 0 0 497.684 4.673 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC(Cc4nncn4C)CC3)CCCCC2)c(Br)c1 ZINC001456026889 1066480488 /nfs/dbraw/zinc/48/04/88/1066480488.db2.gz JBNJANXUBPAQBM-UHFFFAOYSA-N 0 0 459.432 4.569 20 0 JJADRN CCOc1c(Cl)cccc1CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001456026949 1066480619 /nfs/dbraw/zinc/48/06/19/1066480619.db2.gz OLSLMOGGNGUKIR-UHFFFAOYSA-N 0 0 454.954 4.955 20 0 JJADRN COc1cc(Br)cc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1 ZINC001456026372 1066480644 /nfs/dbraw/zinc/48/06/44/1066480644.db2.gz CCFBXGQXXYPTLU-LJQANCHMSA-N 0 0 451.792 4.896 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001456027912 1066481425 /nfs/dbraw/zinc/48/14/25/1066481425.db2.gz JECPDSDNZRFTSJ-IBGZPJMESA-N 0 0 453.329 4.621 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001456027586 1066481433 /nfs/dbraw/zinc/48/14/33/1066481433.db2.gz IAVWIPHNFYDWJZ-IBGZPJMESA-N 0 0 455.327 4.876 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(Br)cn2ccnc12 ZINC001361168344 1066482027 /nfs/dbraw/zinc/48/20/27/1066482027.db2.gz PRURYIFHJAWJFV-UHFFFAOYSA-N 0 0 451.162 4.610 20 0 JJADRN CC(C)C[C@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)N1Cc2ccccc2C1=O ZINC001456029729 1066482103 /nfs/dbraw/zinc/48/21/03/1066482103.db2.gz FRIMOJYMPJKVLL-XMMPIXPASA-N 0 0 457.530 4.587 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NC(C)(C)Cc3ccc(Br)cc3)CCC2=O)cc1C ZINC001361168184 1066482145 /nfs/dbraw/zinc/48/21/45/1066482145.db2.gz LGGPATNWYOYFHK-IBGZPJMESA-N 0 0 457.412 4.946 20 0 JJADRN C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC001456029152 1066482178 /nfs/dbraw/zinc/48/21/78/1066482178.db2.gz KPWDLXAKSYJLRO-VGOFRKELSA-N 0 0 451.364 4.919 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC001456028980 1066482195 /nfs/dbraw/zinc/48/21/95/1066482195.db2.gz FSDLUCCIHGUWHP-UHFFFAOYSA-N 0 0 452.601 4.566 20 0 JJADRN COCCOCc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)ccc1F ZINC001456029798 1066482890 /nfs/dbraw/zinc/48/28/90/1066482890.db2.gz GXJMKWPLNVYDIF-UHFFFAOYSA-N 0 0 455.457 4.704 20 0 JJADRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001444614558 1066483679 /nfs/dbraw/zinc/48/36/79/1066483679.db2.gz KKDMKAFCHILAKV-FQEVSTJZSA-N 0 0 457.361 4.745 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@H](O)CC(C)(C)C)c1=S ZINC001444618803 1066484839 /nfs/dbraw/zinc/48/48/39/1066484839.db2.gz GENAPLSDQUIHNB-GOSISDBHSA-N 0 0 453.052 4.838 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001444622967 1066484990 /nfs/dbraw/zinc/48/49/90/1066484990.db2.gz NBXRRLMHPAFZAF-AJHXJQRKSA-N 0 0 457.905 4.526 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(C(C)C)CC2)cc1Br ZINC001361170201 1066485043 /nfs/dbraw/zinc/48/50/43/1066485043.db2.gz NFJFZWPOBMFHDG-DLBZAZTESA-N 0 0 497.503 4.710 20 0 JJADRN Cc1c(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC001456034811 1066485282 /nfs/dbraw/zinc/48/52/82/1066485282.db2.gz BVUSBMCPZZNGBF-GFCCVEGCSA-N 0 0 454.399 4.557 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1c(Cl)cccc1Br ZINC001456034921 1066485924 /nfs/dbraw/zinc/48/59/24/1066485924.db2.gz FLBWZDWEXOHQAJ-UHFFFAOYSA-N 0 0 458.747 4.991 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001444624724 1066485985 /nfs/dbraw/zinc/48/59/85/1066485985.db2.gz ORELLCVANDWBCT-JTAQYXEDSA-N 0 0 452.595 4.806 20 0 JJADRN CC(C)n1c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)nc2ccccc21 ZINC001444628438 1066486007 /nfs/dbraw/zinc/48/60/07/1066486007.db2.gz HSOSOXOJPILGIZ-NRFANRHFSA-N 0 0 458.509 4.778 20 0 JJADRN Cc1c(C(=O)N2CCSC[C@@H]2C)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001444627708 1066486131 /nfs/dbraw/zinc/48/61/31/1066486131.db2.gz SFVSHTPXZKBQHC-AWEZNQCLSA-N 0 0 459.662 4.780 20 0 JJADRN Cc1nc(-c2ccc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3Cl)s2)cs1 ZINC001456037620 1066486444 /nfs/dbraw/zinc/48/64/44/1066486444.db2.gz JFJSLTLOGFNSJM-UHFFFAOYSA-N 0 0 453.998 4.626 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001444631970 1066486748 /nfs/dbraw/zinc/48/67/48/1066486748.db2.gz XJTFNMJBUSGGPA-WMLDXEAASA-N 0 0 451.539 4.548 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1I ZINC001456038876 1066487064 /nfs/dbraw/zinc/48/70/64/1066487064.db2.gz PWILCYAMACFURS-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001456038730 1066487198 /nfs/dbraw/zinc/48/71/98/1066487198.db2.gz NEBDVWDDTZLIKE-AUUYWEPGSA-N 0 0 452.473 4.880 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC3)n2CC2(C(=O)N(C)C)CCCC2)cc1Br ZINC001361171453 1066487200 /nfs/dbraw/zinc/48/72/00/1066487200.db2.gz QMADZRKSMHSIAB-UHFFFAOYSA-N 0 0 474.447 4.653 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)OC ZINC001545968301 1066487394 /nfs/dbraw/zinc/48/73/94/1066487394.db2.gz BXBWXBBSLSJHOB-LJQANCHMSA-N 0 0 483.016 4.582 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001456039046 1066487885 /nfs/dbraw/zinc/48/78/85/1066487885.db2.gz RFTYFWHZWWPUKB-TZIWHRDSSA-N 0 0 450.476 4.848 20 0 JJADRN CC(=O)c1cnc(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)s1 ZINC001444645757 1066488044 /nfs/dbraw/zinc/48/80/44/1066488044.db2.gz WRMGRFUFZMNCLV-UHFFFAOYSA-N 0 0 458.565 4.992 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCNc2nccc(C(F)(F)F)n2)o1 ZINC001361171928 1066488831 /nfs/dbraw/zinc/48/88/31/1066488831.db2.gz UJBTZNUVFDDTFL-GOEBONIOSA-N 0 0 463.508 4.782 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCCC(C)(C)C)cc1Br ZINC001361172086 1066489224 /nfs/dbraw/zinc/48/92/24/1066489224.db2.gz WJAHAHHUNHJTRX-MRXNPFEDSA-N 0 0 485.492 4.712 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361172249 1066489234 /nfs/dbraw/zinc/48/92/34/1066489234.db2.gz YRIKURHSCLFVHF-APWZRJJASA-N 0 0 476.463 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)n2CCc2c(C)noc2C)o1 ZINC001361172049 1066489277 /nfs/dbraw/zinc/48/92/77/1066489277.db2.gz YKLOKUFGGPLXNF-UGAOPGRHSA-N 0 0 467.595 4.629 20 0 JJADRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001456044618 1066489311 /nfs/dbraw/zinc/48/93/11/1066489311.db2.gz CPKHUCDZBOICMF-QFIPXVFZSA-N 0 0 453.995 4.937 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2COC)C1 ZINC001546078862 1066489408 /nfs/dbraw/zinc/48/94/08/1066489408.db2.gz ATWXUFSYJKFTKL-UMTXDNHDSA-N 0 0 483.657 4.870 20 0 JJADRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC001456044515 1066489487 /nfs/dbraw/zinc/48/94/87/1066489487.db2.gz BPKMSIPQPZCQOQ-LLVKDONJSA-N 0 0 459.456 4.623 20 0 JJADRN O=C(NCCCNc1ccccn1)c1cccnc1SCc1ccc(Br)cc1 ZINC001444659759 1066489657 /nfs/dbraw/zinc/48/96/57/1066489657.db2.gz ACGORUFKNPVJBW-UHFFFAOYSA-N 0 0 457.397 4.763 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 ZINC001456046147 1066490662 /nfs/dbraw/zinc/49/06/62/1066490662.db2.gz DCZOLMXYLYECOY-HXUWFJFHSA-N 0 0 455.580 4.804 20 0 JJADRN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C ZINC001456046272 1066490677 /nfs/dbraw/zinc/49/06/77/1066490677.db2.gz FAAMMDLQKIDSBX-HVEPWOEZSA-N 0 0 450.482 4.837 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)nc(-c2ccc(Cl)cc2)n1 ZINC001456046277 1066490761 /nfs/dbraw/zinc/49/07/61/1066490761.db2.gz FALGYUNKBXIXNK-FQEVSTJZSA-N 0 0 452.967 4.568 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c1 ZINC001456046440 1066491140 /nfs/dbraw/zinc/49/11/40/1066491140.db2.gz HTSUHAIFKRQMRM-KRWDZBQOSA-N 0 0 457.983 4.946 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CCc2sc(C)nc2C)o1 ZINC001361173957 1066491227 /nfs/dbraw/zinc/49/12/27/1066491227.db2.gz LDZRRFLVQWJHOR-LJQANCHMSA-N 0 0 492.649 4.818 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c1 ZINC001456046442 1066491165 /nfs/dbraw/zinc/49/11/65/1066491165.db2.gz HTSUHAIFKRQMRM-QGZVFWFLSA-N 0 0 457.983 4.946 20 0 JJADRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001456047184 1066491175 /nfs/dbraw/zinc/49/11/75/1066491175.db2.gz HNTRFQGDBFOVEL-LJQANCHMSA-N 0 0 457.914 4.820 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001456046928 1066491433 /nfs/dbraw/zinc/49/14/33/1066491433.db2.gz OFZOPLYRRATGDR-JOCHJYFZSA-N 0 0 453.583 4.580 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Br)c(Cl)c2)c(C)c1 ZINC001456047440 1066491596 /nfs/dbraw/zinc/49/15/96/1066491596.db2.gz JGXGNXDFLDJCRQ-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001456049492 1066492845 /nfs/dbraw/zinc/49/28/45/1066492845.db2.gz NINLFVHWKGFWGU-OAHLLOKOSA-N 0 0 456.486 4.523 20 0 JJADRN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001444681421 1066492828 /nfs/dbraw/zinc/49/28/28/1066492828.db2.gz ZMOSZCYBIKHJPO-RTBURBONSA-N 0 0 453.366 4.717 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001444681644 1066492880 /nfs/dbraw/zinc/49/28/80/1066492880.db2.gz DXYQXEWTVYSVFW-UHFFFAOYSA-N 0 0 458.686 4.621 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001444680824 1066492986 /nfs/dbraw/zinc/49/29/86/1066492986.db2.gz ZMOSZCYBIKHJPO-MOPGFXCFSA-N 0 0 453.366 4.717 20 0 JJADRN O=C(OCc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001456050905 1066493328 /nfs/dbraw/zinc/49/33/28/1066493328.db2.gz MPMRWZYIDATCFR-APWZRJJASA-N 0 0 463.715 4.974 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Br)ccc2Cl)cc1C ZINC001456050907 1066493336 /nfs/dbraw/zinc/49/33/36/1066493336.db2.gz MYKYGGYOMBARCF-KRWDZBQOSA-N 0 0 453.789 4.873 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Sc2nc3ccccc3s2)cc1C ZINC001456050173 1066493371 /nfs/dbraw/zinc/49/33/71/1066493371.db2.gz LTWLFDQIEUKWPW-YJBOKZPZSA-N 0 0 457.646 4.934 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361175880 1066493771 /nfs/dbraw/zinc/49/37/71/1066493771.db2.gz XHUOGDZKWGYNMC-SJLPKXTDSA-N 0 0 486.642 4.942 20 0 JJADRN Cc1noc(C)c1CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(F)(F)F ZINC001361175812 1066493803 /nfs/dbraw/zinc/49/38/03/1066493803.db2.gz VZPSWNKKMOLIEP-UHFFFAOYSA-N 0 0 472.309 4.862 20 0 JJADRN CCS(=O)(CC)=NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001456052014 1066493668 /nfs/dbraw/zinc/49/36/68/1066493668.db2.gz FFXXZDFUUFVGRN-UHFFFAOYSA-N 0 0 450.626 4.741 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001456052826 1066493949 /nfs/dbraw/zinc/49/39/49/1066493949.db2.gz YRQRMNNJRNSEOW-MOPGFXCFSA-N 0 0 459.543 4.823 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC001361176805 1066494575 /nfs/dbraw/zinc/49/45/75/1066494575.db2.gz VVWFVKKJEVQWLD-UHFFFAOYSA-N 0 0 455.580 4.623 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC001456052834 1066494591 /nfs/dbraw/zinc/49/45/91/1066494591.db2.gz YRQRMNNJRNSEOW-OALUTQOASA-N 0 0 459.543 4.823 20 0 JJADRN C[C@@](Cc1cccc(Br)c1)(NC(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC001444700404 1066495111 /nfs/dbraw/zinc/49/51/11/1066495111.db2.gz BHSFTAXNZXIVAF-QFIPXVFZSA-N 0 0 457.393 4.515 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545968639 1066495197 /nfs/dbraw/zinc/49/51/97/1066495197.db2.gz IUBZWPXUTILWOV-KBAYOESNSA-N 0 0 467.536 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)o1 ZINC001361177444 1066495766 /nfs/dbraw/zinc/49/57/66/1066495766.db2.gz DWTMPBKNTILKRT-UHFFFAOYSA-N 0 0 472.615 4.647 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1nccnc1C ZINC001361177549 1066495974 /nfs/dbraw/zinc/49/59/74/1066495974.db2.gz IPBSMUZQDNLSKW-UHFFFAOYSA-N 0 0 481.398 4.895 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(F)F ZINC001361177636 1066496637 /nfs/dbraw/zinc/49/66/37/1066496637.db2.gz LHAQOXQFAROAAL-UHFFFAOYSA-N 0 0 484.345 4.887 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2C[C@](C)(O)c2ccsc2)o1 ZINC001361177591 1066496674 /nfs/dbraw/zinc/49/66/74/1066496674.db2.gz KAVIKKJSKRGDBS-FQEVSTJZSA-N 0 0 477.384 4.808 20 0 JJADRN COc1ccc(CC(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cc1O ZINC001444714013 1066496705 /nfs/dbraw/zinc/49/67/05/1066496705.db2.gz XQXPTYFVPLSNHW-DEOSSOPVSA-N 0 0 454.364 4.980 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cc(F)cc(F)c3)n2Cc2ccnc(OC(F)F)c2)o1 ZINC001361177908 1066497049 /nfs/dbraw/zinc/49/70/49/1066497049.db2.gz UZIFWHLBHIXBEX-UHFFFAOYSA-N 0 0 461.419 4.806 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Br)c(F)c2C)cc1C ZINC001456058727 1066497833 /nfs/dbraw/zinc/49/78/33/1066497833.db2.gz VQEDXPJDHMFGSR-KRWDZBQOSA-N 0 0 451.361 4.667 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)nn1-c1ccc(Cl)cc1 ZINC001456060212 1066497868 /nfs/dbraw/zinc/49/78/68/1066497868.db2.gz WGQGUIPNCQXCCP-OAQYLSRUSA-N 0 0 454.983 4.605 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Br)c(F)c2C)cc1C ZINC001456058744 1066497896 /nfs/dbraw/zinc/49/78/96/1066497896.db2.gz VQEDXPJDHMFGSR-QGZVFWFLSA-N 0 0 451.361 4.667 20 0 JJADRN Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)c(C)c2)nn1-c1ccc(Cl)cc1 ZINC001456060201 1066497921 /nfs/dbraw/zinc/49/79/21/1066497921.db2.gz WGQGUIPNCQXCCP-NRFANRHFSA-N 0 0 454.983 4.605 20 0 JJADRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC001444729474 1066498062 /nfs/dbraw/zinc/49/80/62/1066498062.db2.gz CXRSVZBOPPNGSR-QFIPXVFZSA-N 0 0 452.599 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361178126 1066498176 /nfs/dbraw/zinc/49/81/76/1066498176.db2.gz FXESEXPTJXBWML-XMMPIXPASA-N 0 0 456.493 4.879 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 ZINC001456060443 1066498472 /nfs/dbraw/zinc/49/84/72/1066498472.db2.gz WQWAANPOXXDMJK-QFIPXVFZSA-N 0 0 452.576 4.956 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)NC(=O)OC(C)(C)C ZINC001545968918 1066499405 /nfs/dbraw/zinc/49/94/05/1066499405.db2.gz NXXSSHIIEYTDLY-DENIHFKCSA-N 0 0 493.656 4.804 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2CC2([S@](C)=O)CCC2)o1 ZINC001361178686 1066499410 /nfs/dbraw/zinc/49/94/10/1066499410.db2.gz PQXPEMWPVQLMKI-YTTGMZPUSA-N 0 0 466.529 4.803 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CCCOC[C@H]2CCCO2)o1 ZINC001361178701 1066499454 /nfs/dbraw/zinc/49/94/54/1066499454.db2.gz QDBYLZYSLLYGEB-MRXNPFEDSA-N 0 0 450.992 4.784 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CC(=O)NC2CCCCC2)o1 ZINC001361179100 1066500110 /nfs/dbraw/zinc/50/01/10/1066500110.db2.gz XFTZQPWPJQMFBF-UHFFFAOYSA-N 0 0 459.953 4.724 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)cc3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361178991 1066500140 /nfs/dbraw/zinc/50/01/40/1066500140.db2.gz WQUITTOODMDYBN-UHFFFAOYSA-N 0 0 457.550 4.927 20 0 JJADRN CN(CCC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(=O)OCc1ccccc1 ZINC001456066117 1066500137 /nfs/dbraw/zinc/50/01/37/1066500137.db2.gz GOFYZQMZFKOEBS-UHFFFAOYSA-N 0 0 451.611 4.728 20 0 JJADRN O=C(NCCOCc1ccccc1)c1cc(I)c(Cl)cc1Cl ZINC001361179243 1066500219 /nfs/dbraw/zinc/50/02/19/1066500219.db2.gz QDCXGOBZWLATDD-UHFFFAOYSA-N 0 0 450.103 4.545 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2=O)cc1F ZINC001456066240 1066500240 /nfs/dbraw/zinc/50/02/40/1066500240.db2.gz HMPUGTLQOWCBLU-IBGZPJMESA-N 0 0 451.586 4.570 20 0 JJADRN C[C@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1nc(C2CCCCC2)no1 ZINC001361180400 1066501030 /nfs/dbraw/zinc/50/10/30/1066501030.db2.gz XPJWMZFIMZONKR-NYHFZMIOSA-N 0 0 451.489 4.963 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCCC(F)(F)F)cc1Br ZINC001361180459 1066501127 /nfs/dbraw/zinc/50/11/27/1066501127.db2.gz BDXKLQOTXZDESW-UHFFFAOYSA-N 0 0 471.325 4.728 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001545968994 1066501252 /nfs/dbraw/zinc/50/12/52/1066501252.db2.gz PFHHXOQHZJZTKB-CEXWTWQISA-N 0 0 459.660 4.887 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)c1nc(C(F)(F)F)cs1 ZINC001444749919 1066501300 /nfs/dbraw/zinc/50/13/00/1066501300.db2.gz WOELJSDYQNFYPJ-GDBMZVCRSA-N 0 0 454.518 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3nc([C@H](C)OCC(C)C)no3)n2C[C@]2(O)CCCC2(C)C)o1 ZINC001361180917 1066501699 /nfs/dbraw/zinc/50/16/99/1066501699.db2.gz AYHQHZPIQAHFHN-AVRWGWEMSA-N 0 0 486.617 4.541 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545969018 1066501597 /nfs/dbraw/zinc/50/15/97/1066501597.db2.gz PNOBYNGPNYVXQM-NRFANRHFSA-N 0 0 494.640 4.659 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 ZINC001456069989 1066501660 /nfs/dbraw/zinc/50/16/60/1066501660.db2.gz CHWNCIJDPCXMED-AREMUKBSSA-N 0 0 456.521 4.581 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C)[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545968997 1066501818 /nfs/dbraw/zinc/50/18/18/1066501818.db2.gz PFHHXOQHZJZTKB-IPMKNSEASA-N 0 0 459.660 4.887 20 0 JJADRN C[C@@](O)(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC001444758839 1066501831 /nfs/dbraw/zinc/50/18/31/1066501831.db2.gz VQCIMFFHLAIQMF-OAQYLSRUSA-N 0 0 451.395 4.760 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[C@H]2CCOC2)cc1Br ZINC001361181031 1066502082 /nfs/dbraw/zinc/50/20/82/1066502082.db2.gz DSHHCPFSYDESCO-HNNXBMFYSA-N 0 0 462.417 4.536 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2F)c1Cl ZINC001444760954 1066502242 /nfs/dbraw/zinc/50/22/42/1066502242.db2.gz ZDDTUHWADNZEQE-QFIPXVFZSA-N 0 0 454.901 4.532 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2(O)CCCC2)cc1Br ZINC001361181115 1066502337 /nfs/dbraw/zinc/50/23/37/1066502337.db2.gz QMUBADZWXFDDDD-UHFFFAOYSA-N 0 0 499.457 4.871 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccoc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361181230 1066502546 /nfs/dbraw/zinc/50/25/46/1066502546.db2.gz IABBYHFGMRFDRO-LPHOPBHVSA-N 0 0 455.559 4.721 20 0 JJADRN CCN(CC1CCN(C(=O)c2nccnc2Sc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001444765466 1066502730 /nfs/dbraw/zinc/50/27/30/1066502730.db2.gz ASRUZKBMECTWOK-UHFFFAOYSA-N 0 0 456.612 4.737 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)c1 ZINC001456072056 1066502745 /nfs/dbraw/zinc/50/27/45/1066502745.db2.gz YTPOBKLSCKBKRF-HXUWFJFHSA-N 0 0 458.400 4.940 20 0 JJADRN CCOC(=O)c1sc(N(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C2CC2)nc1C ZINC001456072308 1066502754 /nfs/dbraw/zinc/50/27/54/1066502754.db2.gz DGDLUDSANJLQKD-UHFFFAOYSA-N 0 0 459.568 4.713 20 0 JJADRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC001444766201 1066502774 /nfs/dbraw/zinc/50/27/74/1066502774.db2.gz BWONRZZSVHJEAY-LJQANCHMSA-N 0 0 455.640 4.566 20 0 JJADRN CCN(C(=O)CSc1nnnn1C1CCCC1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001456075650 1066503551 /nfs/dbraw/zinc/50/35/51/1066503551.db2.gz PYNRPPSCFYCHNH-OAQYLSRUSA-N 0 0 457.003 4.567 20 0 JJADRN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1 ZINC001456074752 1066503650 /nfs/dbraw/zinc/50/36/50/1066503650.db2.gz FXPNHKKMXQJHGH-QHCPKHFHSA-N 0 0 457.534 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3csc(Br)c3)n2Cc2ncnn2C(C)(C)C)o1 ZINC001361181642 1066503621 /nfs/dbraw/zinc/50/36/21/1066503621.db2.gz RMSPPJYWVLKZSI-UHFFFAOYSA-N 0 0 490.431 4.702 20 0 JJADRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cccn2ncc(Br)c12 ZINC001444781510 1066503632 /nfs/dbraw/zinc/50/36/32/1066503632.db2.gz CFZSLZAHVFTFBL-UHFFFAOYSA-N 0 0 452.274 4.967 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1C ZINC001444781360 1066503818 /nfs/dbraw/zinc/50/38/18/1066503818.db2.gz BAUPDVAZGLOSCT-MRXNPFEDSA-N 0 0 451.533 4.929 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001361181511 1066503865 /nfs/dbraw/zinc/50/38/65/1066503865.db2.gz ZYIHRJHRKSFAFU-HNNXBMFYSA-N 0 0 498.429 4.794 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1I ZINC001456076598 1066504136 /nfs/dbraw/zinc/50/41/36/1066504136.db2.gz PIVNGSQVWHTCDC-UHFFFAOYSA-N 0 0 458.731 4.575 20 0 JJADRN COc1ccc(C2CCN(C(=O)[C@H]3CC(Br)=NN3c3ccc(C)cc3)CC2)cc1 ZINC001444786830 1066504258 /nfs/dbraw/zinc/50/42/58/1066504258.db2.gz NRCMSYYXSXHMFZ-OAQYLSRUSA-N 0 0 456.384 4.697 20 0 JJADRN Cc1c(C(=O)Nc2c(F)cccc2Br)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001361182402 1066504719 /nfs/dbraw/zinc/50/47/19/1066504719.db2.gz XHHOCULTXCRZNP-UHFFFAOYSA-N 0 0 457.225 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2C[C@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361181873 1066504789 /nfs/dbraw/zinc/50/47/89/1066504789.db2.gz ZIDCBQISNDTMIX-NRFANRHFSA-N 0 0 477.512 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC[C@@H]2CCCCO2)cc1Br ZINC001361182886 1066505059 /nfs/dbraw/zinc/50/50/59/1066505059.db2.gz CPDHGIQKMDXUFV-SFHVURJKSA-N 0 0 460.376 4.600 20 0 JJADRN CCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001444799187 1066505119 /nfs/dbraw/zinc/50/51/19/1066505119.db2.gz OFCLIDQKVDLBPK-HSZRJFAPSA-N 0 0 454.615 4.982 20 0 JJADRN CO[C@@H](CNC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC001444801413 1066505458 /nfs/dbraw/zinc/50/54/58/1066505458.db2.gz UZWAZXAGLWNWEF-DEOSSOPVSA-N 0 0 452.595 4.871 20 0 JJADRN CO[C@H](CNC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC001444801415 1066505550 /nfs/dbraw/zinc/50/55/50/1066505550.db2.gz UZWAZXAGLWNWEF-XMMPIXPASA-N 0 0 452.595 4.871 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)CCN1C(=O)OC(C)(C)C ZINC001444803148 1066505576 /nfs/dbraw/zinc/50/55/76/1066505576.db2.gz BFJALCVRTSKDFP-AWEZNQCLSA-N 0 0 453.967 4.768 20 0 JJADRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001444799812 1066505589 /nfs/dbraw/zinc/50/55/89/1066505589.db2.gz HLPQSPOODWPJOC-DQEYMECFSA-N 0 0 450.604 4.693 20 0 JJADRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001444799483 1066505656 /nfs/dbraw/zinc/50/56/56/1066505656.db2.gz FXYXSJYXFURAQN-UXHICEINSA-N 0 0 454.514 4.875 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001456079668 1066505690 /nfs/dbraw/zinc/50/56/90/1066505690.db2.gz BFVLAOIBMGQULU-GFCCVEGCSA-N 0 0 455.287 4.933 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC2(O)CCC2)cc1Br ZINC001361183843 1066506002 /nfs/dbraw/zinc/50/60/02/1066506002.db2.gz PPVOPRJTHDXJFC-UHFFFAOYSA-N 0 0 451.384 4.505 20 0 JJADRN CCc1nnc(-c2cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3OC)c2)o1 ZINC001444805930 1066506422 /nfs/dbraw/zinc/50/64/22/1066506422.db2.gz BGCMZRKMNLWNQI-HXUWFJFHSA-N 0 0 452.511 4.512 20 0 JJADRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ncc(I)n2c1 ZINC001444807008 1066506522 /nfs/dbraw/zinc/50/65/22/1066506522.db2.gz PPDZPBOZTTUELM-ROUUACIJSA-N 0 0 459.331 4.737 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N3C[C@H](C)Cc4ccccc43)cc2)c1C(F)(F)F ZINC001456085860 1066506441 /nfs/dbraw/zinc/50/64/41/1066506441.db2.gz JVCKHBDGMPHZFR-OAHLLOKOSA-N 0 0 457.452 4.907 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001456087436 1066506647 /nfs/dbraw/zinc/50/66/47/1066506647.db2.gz PSVZVTNKMCOSOJ-QFIPXVFZSA-N 0 0 457.534 4.905 20 0 JJADRN Cc1csc(Nc2cccc(NC(=O)c3cc(Br)c4ncc(C=O)n4c3)c2)n1 ZINC001456086013 1066506670 /nfs/dbraw/zinc/50/66/70/1066506670.db2.gz ZKTIYJSTWVERIX-UHFFFAOYSA-N 0 0 456.325 4.670 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c21 ZINC001444807342 1066507060 /nfs/dbraw/zinc/50/70/60/1066507060.db2.gz JLGNNJACJLDBEA-HNNXBMFYSA-N 0 0 454.527 4.688 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2cc(Cl)ccc2OC(F)F)o1 ZINC001361184358 1066507146 /nfs/dbraw/zinc/50/71/46/1066507146.db2.gz HMXHDUFOTYXGOL-UHFFFAOYSA-N 0 0 496.942 4.985 20 0 JJADRN Cc1ccc(O[C@@H](C)CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC001444808678 1066507478 /nfs/dbraw/zinc/50/74/78/1066507478.db2.gz LVCGZSJVMYCVDS-FQEVSTJZSA-N 0 0 458.558 4.807 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001546079305 1066507564 /nfs/dbraw/zinc/50/75/64/1066507564.db2.gz JJUUKUZUXIJHTM-SANMLTNESA-N 0 0 483.613 4.844 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCCC2=O)C1 ZINC001546079267 1066507591 /nfs/dbraw/zinc/50/75/91/1066507591.db2.gz IPOBPDKBVQMSFO-MHZLTWQESA-N 0 0 467.658 4.893 20 0 JJADRN O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N(Cc1ccccc1F)c1ccccc1F ZINC001456089755 1066507606 /nfs/dbraw/zinc/50/76/06/1066507606.db2.gz GTVDISKSSPNYFM-FQEVSTJZSA-N 0 0 452.476 4.728 20 0 JJADRN CCOCc1ccc(NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC001444810443 1066507533 /nfs/dbraw/zinc/50/75/33/1066507533.db2.gz KPBPSAXBGMHXQS-UHFFFAOYSA-N 0 0 456.589 4.535 20 0 JJADRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001444810106 1066507578 /nfs/dbraw/zinc/50/75/78/1066507578.db2.gz TXCDICDWPDQHFU-PKOBYXMFSA-N 0 0 450.398 4.651 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)cc(OC)c1OC(F)F ZINC001456089743 1066507663 /nfs/dbraw/zinc/50/76/63/1066507663.db2.gz GHFOFINOKFSVDZ-UHFFFAOYSA-N 0 0 457.429 4.881 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@](C)(O)CCC(C)C)cc1Br ZINC001361184705 1066508255 /nfs/dbraw/zinc/50/82/55/1066508255.db2.gz RFVSIIPAMADEOM-FDDCHVKYSA-N 0 0 479.463 4.676 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C)c1=S ZINC001456094727 1066508354 /nfs/dbraw/zinc/50/83/54/1066508354.db2.gz DOUWIENUMZBVLA-SJLPKXTDSA-N 0 0 479.046 4.725 20 0 JJADRN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001456096972 1066508856 /nfs/dbraw/zinc/50/88/56/1066508856.db2.gz DIYHVJORGZYUSN-UHFFFAOYSA-N 0 0 457.334 4.709 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 ZINC001456095030 1066508902 /nfs/dbraw/zinc/50/89/02/1066508902.db2.gz IZQINNRFXCGUGO-SPLOXXLWSA-N 0 0 451.614 4.841 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)Oc3ccccc3C)cc2)c1 ZINC001444815765 1066508760 /nfs/dbraw/zinc/50/87/60/1066508760.db2.gz RFDWTUVLWOUPFJ-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CCc2nccs2)cc1Br ZINC001361185250 1066509096 /nfs/dbraw/zinc/50/90/96/1066509096.db2.gz ZYCFHWFYCPYYAC-UHFFFAOYSA-N 0 0 476.444 4.578 20 0 JJADRN CO[C@@H]1C[C@H](C(=O)Nc2cccc(COC(C)(C)C)c2C)N(C(=O)OCc2ccccc2)C1 ZINC001361185667 1066509135 /nfs/dbraw/zinc/50/91/35/1066509135.db2.gz JMCFREQCRGTWDO-FYYLOGMGSA-N 0 0 454.567 4.675 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)F)n2C[C@H]2CSCCS2)cc1Br ZINC001361185099 1066509163 /nfs/dbraw/zinc/50/91/63/1066509163.db2.gz YOUBBMIBIQBFOQ-AWEZNQCLSA-N 0 0 477.444 4.956 20 0 JJADRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCOc2cccc(I)c2)C1 ZINC001444819538 1066509284 /nfs/dbraw/zinc/50/92/84/1066509284.db2.gz UYNVPSJDCGWRRR-AUUYWEPGSA-N 0 0 453.295 4.809 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545969538 1066509364 /nfs/dbraw/zinc/50/93/64/1066509364.db2.gz ZJQWTNSPUIAAIS-GUDVDZBRSA-N 0 0 459.660 4.887 20 0 JJADRN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001456099664 1066509376 /nfs/dbraw/zinc/50/93/76/1066509376.db2.gz PINUUICCEAMFRY-RKVPGOIHSA-N 0 0 452.860 4.606 20 0 JJADRN Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)NCc4ccccc4)c3)ccc2s1 ZINC001456102883 1066509847 /nfs/dbraw/zinc/50/98/47/1066509847.db2.gz JOKXGLDUENIJAS-UHFFFAOYSA-N 0 0 451.573 4.644 20 0 JJADRN CC1(N(Cc2ccc3c(c2)OCO3)C(=O)C(=O)c2ccc(Br)s2)CCCC1 ZINC001456103734 1066510348 /nfs/dbraw/zinc/51/03/48/1066510348.db2.gz KHXVJYCDIJLYHQ-UHFFFAOYSA-N 0 0 450.354 4.784 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)CC(C)C ZINC001456106646 1066510444 /nfs/dbraw/zinc/51/04/44/1066510444.db2.gz JRRRVSLPLHFWCR-NRFANRHFSA-N 0 0 452.477 4.584 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)c1C(F)(F)F ZINC001361186812 1066510573 /nfs/dbraw/zinc/51/05/73/1066510573.db2.gz WYJTVJMHQWNPCM-HZPDHXFCSA-N 0 0 459.468 4.990 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)c1C(F)(F)F ZINC001361186810 1066510655 /nfs/dbraw/zinc/51/06/55/1066510655.db2.gz WYJTVJMHQWNPCM-CVEARBPZSA-N 0 0 459.468 4.990 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001444838504 1066510903 /nfs/dbraw/zinc/51/09/03/1066510903.db2.gz IKHOGEGERAXTIP-HXUWFJFHSA-N 0 0 458.864 4.867 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@]2(O)CCC[C@@H]2C)cc1Br ZINC001361187096 1066511025 /nfs/dbraw/zinc/51/10/25/1066511025.db2.gz FLXBXYGAIOVCQQ-KSFYIVLOSA-N 0 0 490.471 4.703 20 0 JJADRN COc1ccc(CN(C(=O)c2cnn(CCC(F)(F)F)c2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001456109669 1066511013 /nfs/dbraw/zinc/51/10/13/1066511013.db2.gz NNCVYCZFMKFQNG-UHFFFAOYSA-N 0 0 457.456 4.876 20 0 JJADRN CCN(CC(=O)N(Cc1ccc(OC)cc1)c1ccc2[nH]c(C)nc2c1)C(=O)OC(C)(C)C ZINC001456109711 1066511341 /nfs/dbraw/zinc/51/13/41/1066511341.db2.gz OBQBZCQUHOQSDZ-UHFFFAOYSA-N 0 0 452.555 4.670 20 0 JJADRN Cc1occc1C(=O)Nc1nc(CC(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cs1 ZINC001444845069 1066511601 /nfs/dbraw/zinc/51/16/01/1066511601.db2.gz YDARIUKHAPGCAD-UHFFFAOYSA-N 0 0 457.508 4.792 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)o1 ZINC001444847418 1066511897 /nfs/dbraw/zinc/51/18/97/1066511897.db2.gz HBXQFWANCNWBAU-WWMYMODYSA-N 0 0 456.587 4.903 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1coc(-c2ccc(Br)cc2F)n1)CC(C)C ZINC001456113311 1066511929 /nfs/dbraw/zinc/51/19/29/1066511929.db2.gz SIMTYAZVVHZKCM-HXUWFJFHSA-N 0 0 455.324 4.589 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)CCCCCO)sc1C ZINC001361187396 1066511955 /nfs/dbraw/zinc/51/19/55/1066511955.db2.gz PVMKHUGKVYAOMP-UHFFFAOYSA-N 0 0 492.487 4.931 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(C(F)(F)F)cc2)C1 ZINC001444848641 1066512013 /nfs/dbraw/zinc/51/20/13/1066512013.db2.gz UQYJJSPLFPWBBP-CQSZACIVSA-N 0 0 452.439 4.632 20 0 JJADRN O=C(Cc1cnn(-c2ccccc2)n1)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001456112722 1066512015 /nfs/dbraw/zinc/51/20/15/1066512015.db2.gz UDWJBVIRIXZJFA-QGZVFWFLSA-N 0 0 454.246 4.809 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CCCn2cccn2)o1 ZINC001361187623 1066512416 /nfs/dbraw/zinc/51/24/16/1066512416.db2.gz YUBMJVLIQFSYHB-UHFFFAOYSA-N 0 0 469.387 4.575 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H](C)N1CSCCSC1)CCO2 ZINC001444851809 1066512732 /nfs/dbraw/zinc/51/27/32/1066512732.db2.gz FYSJLKIREKXZFZ-PGRDOPGGSA-N 0 0 458.649 4.633 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001444853737 1066512961 /nfs/dbraw/zinc/51/29/61/1066512961.db2.gz PPVWKWJSXDFHSO-GTNSWQLSSA-N 0 0 455.782 4.692 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001444854119 1066513049 /nfs/dbraw/zinc/51/30/49/1066513049.db2.gz YYMAUNXFAWGYIC-YFVAEKQCSA-N 0 0 450.023 4.629 20 0 JJADRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCCC[C@@](C)(CC)C1OCCO1)OCC3 ZINC001444853423 1066513061 /nfs/dbraw/zinc/51/30/61/1066513061.db2.gz OJWRYZUAIZKGHC-KAYWLYCHSA-N 0 0 456.627 4.984 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001546079592 1066513055 /nfs/dbraw/zinc/51/30/55/1066513055.db2.gz PRFGOTCQFMJCLW-DEOSSOPVSA-N 0 0 468.989 4.539 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001546079628 1066513167 /nfs/dbraw/zinc/51/31/67/1066513167.db2.gz QKLNWTPUZMSSNZ-DEOSSOPVSA-N 0 0 495.590 4.766 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001546079629 1066513222 /nfs/dbraw/zinc/51/32/22/1066513222.db2.gz QKLNWTPUZMSSNZ-XMMPIXPASA-N 0 0 495.590 4.766 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2CCc2c(C)noc2C)o1 ZINC001361188025 1066513257 /nfs/dbraw/zinc/51/32/57/1066513257.db2.gz KQXNVEHPUOTYTI-UHFFFAOYSA-N 0 0 453.518 4.738 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC001456118043 1066513508 /nfs/dbraw/zinc/51/35/08/1066513508.db2.gz BTKSASCAUFGQRW-UHFFFAOYSA-N 0 0 457.424 4.638 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@H](C)C2)o1 ZINC001361188212 1066513569 /nfs/dbraw/zinc/51/35/69/1066513569.db2.gz ORGGGXCQAIAILB-ICSRJNTNSA-N 0 0 486.638 4.592 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNC(=O)C(C)C ZINC001361188192 1066513775 /nfs/dbraw/zinc/51/37/75/1066513775.db2.gz NQTVMSTZEUTRKO-UHFFFAOYSA-N 0 0 490.471 4.643 20 0 JJADRN COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(COc3ccc(Br)cc3)o1)C2 ZINC001456120470 1066513999 /nfs/dbraw/zinc/51/39/99/1066513999.db2.gz HTSCNGQNMAEJFB-UHFFFAOYSA-N 0 0 456.292 4.564 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)CCO2 ZINC001444861520 1066514003 /nfs/dbraw/zinc/51/40/03/1066514003.db2.gz SVHJCZUNRAFBMB-FQEVSTJZSA-N 0 0 458.436 4.981 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1)c1ccccc1 ZINC001456119992 1066514113 /nfs/dbraw/zinc/51/41/13/1066514113.db2.gz XYLRRIHAUDIAOM-INIZCTEOSA-N 0 0 456.530 4.777 20 0 JJADRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001456120441 1066514136 /nfs/dbraw/zinc/51/41/36/1066514136.db2.gz SVSHUMJVWJQKMH-QFIPXVFZSA-N 0 0 452.551 4.515 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)o1 ZINC001361188807 1066514553 /nfs/dbraw/zinc/51/45/53/1066514553.db2.gz ZTAXQFWCBPGFPW-UHFFFAOYSA-N 0 0 477.569 4.575 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2ccccn2)C1 ZINC001546079711 1066514591 /nfs/dbraw/zinc/51/45/91/1066514591.db2.gz RZUUUKJNKDSQMI-UNVFRBQDSA-N 0 0 483.661 4.572 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)[C@H](C)C2)cc1C ZINC001361189414 1066514653 /nfs/dbraw/zinc/51/46/53/1066514653.db2.gz DLDQGGNRAMMNEC-QPPBQGQZSA-N 0 0 451.611 4.649 20 0 JJADRN CCOC(=O)C1(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)CCOCC1 ZINC001361189092 1066514731 /nfs/dbraw/zinc/51/47/31/1066514731.db2.gz UUYVQMCFHPKRRJ-UHFFFAOYSA-N 0 0 455.517 4.774 20 0 JJADRN Cc1ccc(N2CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)[C@@H](C)C2)cc1C ZINC001361189416 1066514744 /nfs/dbraw/zinc/51/47/44/1066514744.db2.gz DLDQGGNRAMMNEC-XUZZJYLKSA-N 0 0 451.611 4.649 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)o1 ZINC001361190036 1066515065 /nfs/dbraw/zinc/51/50/65/1066515065.db2.gz BGZREAGPOXMADP-UHFFFAOYSA-N 0 0 452.477 4.887 20 0 JJADRN Cc1ccc(N2CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@@H](C)C2)cc1C ZINC001361190087 1066515133 /nfs/dbraw/zinc/51/51/33/1066515133.db2.gz SXCGNVBGTGVWRA-INIZCTEOSA-N 0 0 455.352 4.523 20 0 JJADRN C[C@@H]1Cc2cc(C(=O)N(Cc3ccccc3F)c3ccc(F)cc3)ccc2N1S(C)(=O)=O ZINC001456125073 1066515179 /nfs/dbraw/zinc/51/51/79/1066515179.db2.gz TUJLXUJTXDJCIC-MRXNPFEDSA-N 0 0 456.514 4.522 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1 ZINC001444875698 1066515449 /nfs/dbraw/zinc/51/54/49/1066515449.db2.gz VLYHKGIXHRPDNI-UHFFFAOYSA-N 0 0 456.543 4.732 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361190288 1066515623 /nfs/dbraw/zinc/51/56/23/1066515623.db2.gz HQUADALVUBZHMX-KRWDZBQOSA-N 0 0 487.576 4.662 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC001444878153 1066515834 /nfs/dbraw/zinc/51/58/34/1066515834.db2.gz GVZNKJNWOIUPIG-GOSISDBHSA-N 0 0 459.612 4.528 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001444880336 1066515893 /nfs/dbraw/zinc/51/58/93/1066515893.db2.gz OCTJQURFZBLLQL-MRXNPFEDSA-N 0 0 457.434 4.708 20 0 JJADRN Cc1c(C(=O)N2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001456127310 1066516284 /nfs/dbraw/zinc/51/62/84/1066516284.db2.gz FRUGDSFTBYYYTC-XMMPIXPASA-N 0 0 458.990 4.840 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccc(Cl)cc3)n2CCOc2ncccc2F)o1 ZINC001361190805 1066516311 /nfs/dbraw/zinc/51/63/11/1066516311.db2.gz TURNHEAQQLOVGR-UHFFFAOYSA-N 0 0 471.920 4.628 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)o1 ZINC001361190863 1066516754 /nfs/dbraw/zinc/51/67/54/1066516754.db2.gz AKNSASADPQCPCY-OAQYLSRUSA-N 0 0 495.521 4.664 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001444898129 1066516747 /nfs/dbraw/zinc/51/67/47/1066516747.db2.gz ZUDFZYMAHHWEQC-MRXNPFEDSA-N 0 0 457.518 4.994 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc(CO)c2)c2ccccc2Cl)c(OC)c1 ZINC001444900739 1066517003 /nfs/dbraw/zinc/51/70/03/1066517003.db2.gz OCVNCOUWXBHGFL-FYSMJZIKSA-N 0 0 455.938 4.523 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC001444897015 1066517011 /nfs/dbraw/zinc/51/70/11/1066517011.db2.gz WHISZOBLBQSGDS-UHFFFAOYSA-N 0 0 455.502 4.893 20 0 JJADRN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O ZINC001444908474 1066517513 /nfs/dbraw/zinc/51/75/13/1066517513.db2.gz VFNJIIYDVXFRSI-LALPHHSUSA-N 0 0 452.407 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361191285 1066517681 /nfs/dbraw/zinc/51/76/81/1066517681.db2.gz NEQXPNXARRKVJV-UHFFFAOYSA-N 0 0 451.571 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCCCn2cc(Br)cn2)o1 ZINC001361191362 1066517818 /nfs/dbraw/zinc/51/78/18/1066517818.db2.gz QKKWZCWNDUCFQM-UHFFFAOYSA-N 0 0 463.380 4.596 20 0 JJADRN CCc1cc(C(=O)N2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)c2c(n1)onc2C(C)C ZINC001456133628 1066517728 /nfs/dbraw/zinc/51/77/28/1066517728.db2.gz RHFGCLLDQZXEEO-VWLOTQADSA-N 0 0 456.587 4.914 20 0 JJADRN O=C(CCc1cccc(F)c1Br)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001456131347 1066517787 /nfs/dbraw/zinc/51/77/87/1066517787.db2.gz SDRWAWOZYWWSIB-UHFFFAOYSA-N 0 0 453.205 4.834 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N[C@@H](C)Cc3ccc(OC)c(OC)c3)cc2)c(OC)c1 ZINC001444910480 1066517828 /nfs/dbraw/zinc/51/78/28/1066517828.db2.gz VFJVWVLEBKZGMF-KRWDZBQOSA-N 0 0 450.535 4.826 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361191339 1066517869 /nfs/dbraw/zinc/51/78/69/1066517869.db2.gz PLNYQBXQTBJMOC-SFHVURJKSA-N 0 0 459.591 4.804 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C1 ZINC001456134995 1066518202 /nfs/dbraw/zinc/51/82/02/1066518202.db2.gz CEMSQHNLHIQIEC-PKOBYXMFSA-N 0 0 450.551 4.749 20 0 JJADRN Cc1ccccc1NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001444918652 1066518140 /nfs/dbraw/zinc/51/81/40/1066518140.db2.gz NBYYLSYXLIOOFS-XMMPIXPASA-N 0 0 456.995 4.760 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC001361191698 1066518921 /nfs/dbraw/zinc/51/89/21/1066518921.db2.gz BTQWGXOCMCDBFJ-CQSZACIVSA-N 0 0 453.812 4.573 20 0 JJADRN CC(C)COc1ccc(C(C)(C)NC(=O)Cc2ccc(I)cc2)cc1 ZINC001456138583 1066519107 /nfs/dbraw/zinc/51/91/07/1066519107.db2.gz PIFQWRGFJJAOIF-UHFFFAOYSA-N 0 0 451.348 4.920 20 0 JJADRN Cc1cccn2cc(CCNC(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)nc12 ZINC001361191821 1066519353 /nfs/dbraw/zinc/51/93/53/1066519353.db2.gz AHJRVNBGQUBUSF-INIZCTEOSA-N 0 0 454.983 4.932 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccccc1 ZINC001456140105 1066519628 /nfs/dbraw/zinc/51/96/28/1066519628.db2.gz VIZVSNFPSKPIMK-WOJBJXKFSA-N 0 0 458.530 4.978 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2SCCc3ccccc32)C1 ZINC001456140050 1066519656 /nfs/dbraw/zinc/51/96/56/1066519656.db2.gz VPJVEDFBBGNYJQ-MZEQIWSPSA-N 0 0 452.620 4.758 20 0 JJADRN CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456140000 1066519736 /nfs/dbraw/zinc/51/97/36/1066519736.db2.gz VLLCWQAUEIGILL-ZVWHWTBFSA-N 0 0 454.615 4.908 20 0 JJADRN C[C@H]1CCCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001361192604 1066520050 /nfs/dbraw/zinc/52/00/50/1066520050.db2.gz JSGRONYOGXKTJN-GBXCKJPGSA-N 0 0 452.595 4.960 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001456145515 1066521167 /nfs/dbraw/zinc/52/11/67/1066521167.db2.gz CNISTPLQTOBWAG-CQSZACIVSA-N 0 0 453.366 4.918 20 0 JJADRN C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CCN1C(=O)OC(C)(C)C ZINC001456146986 1066521537 /nfs/dbraw/zinc/52/15/37/1066521537.db2.gz GBMQLHIXPGOCLG-XANCMCCPSA-N 0 0 450.579 4.863 20 0 JJADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)C1 ZINC001361195194 1066521571 /nfs/dbraw/zinc/52/15/71/1066521571.db2.gz LMMBIERGOBALDU-KBPBESRZSA-N 0 0 458.477 4.763 20 0 JJADRN Cc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2CCCS2)cc1Br ZINC001361194855 1066521656 /nfs/dbraw/zinc/52/16/56/1066521656.db2.gz YEHSPGVIALXADT-DOTOQJQBSA-N 0 0 465.461 4.915 20 0 JJADRN CC(=O)[C@@H]1C[C@H](C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1(C)C ZINC001456148218 1066521972 /nfs/dbraw/zinc/52/19/72/1066521972.db2.gz HPOLUWNFLJIFKC-RBZQAINGSA-N 0 0 453.627 4.953 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2Cc2cc(C(C)(C)C)no2)cc1Br ZINC001361195554 1066522068 /nfs/dbraw/zinc/52/20/68/1066522068.db2.gz CSVQFJKSTFVGDO-HZPDHXFCSA-N 0 0 488.430 4.963 20 0 JJADRN CC(=O)C(C)(C)CCC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001456147745 1066522076 /nfs/dbraw/zinc/52/20/76/1066522076.db2.gz TXPGKOCRDJDUHF-PMACEKPBSA-N 0 0 458.599 4.538 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1ccccc1Br ZINC001444954189 1066522092 /nfs/dbraw/zinc/52/20/92/1066522092.db2.gz KGSBREVLDJKZNL-MSYCTHLASA-N 0 0 459.384 4.861 20 0 JJADRN Nc1cc(I)ccc1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC001444958259 1066522504 /nfs/dbraw/zinc/52/25/04/1066522504.db2.gz OIFMGJQKFLSOBF-SFHVURJKSA-N 0 0 456.327 4.630 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC001456148816 1066522572 /nfs/dbraw/zinc/52/25/72/1066522572.db2.gz IWXAYHINIUPGMW-QFIPXVFZSA-N 0 0 458.002 4.957 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(OCC(C)C)cc2)c1Cl ZINC001456148785 1066522598 /nfs/dbraw/zinc/52/25/98/1066522598.db2.gz ZUVWTZPYELDIHC-UHFFFAOYSA-N 0 0 458.407 4.794 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)cc2n1 ZINC001456149533 1066522973 /nfs/dbraw/zinc/52/29/73/1066522973.db2.gz GQIJNRALSOCIBB-UHFFFAOYSA-N 0 0 459.453 4.552 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1CSC)NC(=O)OC(C)(C)C ZINC001545970692 1066522869 /nfs/dbraw/zinc/52/28/69/1066522869.db2.gz KBYDMDXWSKXQSU-DLBZAZTESA-N 0 0 463.623 4.719 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCC(C)C)C1)Oc1ccccc1F ZINC001545970803 1066523352 /nfs/dbraw/zinc/52/33/52/1066523352.db2.gz MHSPRDREJWDGAJ-WOJBJXKFSA-N 0 0 453.562 4.588 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCC(C)C)C1)Oc1ccccc1F ZINC001545970801 1066523449 /nfs/dbraw/zinc/52/34/49/1066523449.db2.gz MHSPRDREJWDGAJ-UXHICEINSA-N 0 0 453.562 4.588 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnc(C)s1)Oc1cccc(F)c1 ZINC001545970824 1066523558 /nfs/dbraw/zinc/52/35/58/1066523558.db2.gz MQUIIWUGVBKRHI-GOSISDBHSA-N 0 0 452.559 4.738 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C)(COC)CC1)NC(=O)OC(C)(C)C ZINC001545970883 1066523969 /nfs/dbraw/zinc/52/39/69/1066523969.db2.gz NKAJIEZVQJQHOU-SFHVURJKSA-N 0 0 475.609 4.640 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1OCC ZINC001456151773 1066523991 /nfs/dbraw/zinc/52/39/91/1066523991.db2.gz VECYHGLTDZBVGG-QHCPKHFHSA-N 0 0 458.643 4.791 20 0 JJADRN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001444970671 1066524421 /nfs/dbraw/zinc/52/44/21/1066524421.db2.gz AYNWLZJLFQHKLE-UKILVPOCSA-N 0 0 450.485 4.799 20 0 JJADRN Cc1cc(SCC(=O)NCc2sncc2Br)c(C)cc1Br ZINC001456153752 1066524417 /nfs/dbraw/zinc/52/44/17/1066524417.db2.gz VKYYJVLTPUOOHE-UHFFFAOYSA-N 0 0 450.221 4.693 20 0 JJADRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 ZINC001444970611 1066524580 /nfs/dbraw/zinc/52/45/80/1066524580.db2.gz KKISATQTWYQFOE-MWTRTKDXSA-N 0 0 456.514 4.989 20 0 JJADRN C[C@H](c1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)N1CCOCC1 ZINC001456155802 1066525090 /nfs/dbraw/zinc/52/50/90/1066525090.db2.gz KBRWXZDUOZDISD-XXBNENTESA-N 0 0 459.631 4.882 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)ccc2C)cc1 ZINC001444972471 1066525012 /nfs/dbraw/zinc/52/50/12/1066525012.db2.gz FWQQJYHJGYUZHN-PKTZIBPZSA-N 0 0 456.608 4.893 20 0 JJADRN C[C@H](c1ccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1)N1CCOCC1 ZINC001456155779 1066525183 /nfs/dbraw/zinc/52/51/83/1066525183.db2.gz KBRWXZDUOZDISD-AUSIDOKSSA-N 0 0 459.631 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361197300 1066525363 /nfs/dbraw/zinc/52/53/63/1066525363.db2.gz ZDYOUISXUCGBNQ-DYESRHJHSA-N 0 0 483.588 4.886 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361197301 1066525468 /nfs/dbraw/zinc/52/54/68/1066525468.db2.gz ZDYOUISXUCGBNQ-LAUBAEHRSA-N 0 0 483.588 4.886 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCc1ccccc1Oc1ccc(C)cc1 ZINC001456159720 1066525770 /nfs/dbraw/zinc/52/57/70/1066525770.db2.gz UVMWWOVWNXYHSU-VWLOTQADSA-N 0 0 459.521 4.771 20 0 JJADRN Cc1ccccc1Oc1ccccc1CNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC001456159564 1066525863 /nfs/dbraw/zinc/52/58/63/1066525863.db2.gz WNAWMSLSQIOFJX-OAQYLSRUSA-N 0 0 454.567 4.820 20 0 JJADRN CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CCS1 ZINC001444983113 1066525934 /nfs/dbraw/zinc/52/59/34/1066525934.db2.gz CBTGLFADIQWODY-SJORKVTESA-N 0 0 457.434 4.615 20 0 JJADRN COc1cc(CC2CN(C(=O)C3(c4ccc(Br)cc4)CCCC3)C2)cc(OC)c1 ZINC001444984919 1066525989 /nfs/dbraw/zinc/52/59/89/1066525989.db2.gz PGJGKZGWVHLZEF-UHFFFAOYSA-N 0 0 458.396 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2Cc2csc(C)c2)o1 ZINC001361197883 1066526003 /nfs/dbraw/zinc/52/60/03/1066526003.db2.gz AJFUBFZFFLRCKE-GOSISDBHSA-N 0 0 455.628 4.642 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001456160275 1066526172 /nfs/dbraw/zinc/52/61/72/1066526172.db2.gz AEMQGTRXTPJRRF-NRFANRHFSA-N 0 0 457.311 4.770 20 0 JJADRN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(Br)nc(Br)c1 ZINC001456161430 1066526228 /nfs/dbraw/zinc/52/62/28/1066526228.db2.gz FTAIRNJOMGFNNN-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCSc2ccccc2)o1 ZINC001361198047 1066526244 /nfs/dbraw/zinc/52/62/44/1066526244.db2.gz HALYGFNTYSEQPK-UHFFFAOYSA-N 0 0 467.639 4.722 20 0 JJADRN Cc1ncsc1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001456162229 1066526694 /nfs/dbraw/zinc/52/66/94/1066526694.db2.gz JATCNDAMJOTWDM-UHFFFAOYSA-N 0 0 450.820 4.874 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H](C)Sc3ccccc3)cc2)cc1 ZINC001444991752 1066526860 /nfs/dbraw/zinc/52/68/60/1066526860.db2.gz BGBYFACYSGUYAA-LJQANCHMSA-N 0 0 454.617 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2[C@H]2C[C@@H]2C)cc1Br ZINC001361198169 1066526965 /nfs/dbraw/zinc/52/69/65/1066526965.db2.gz KOUKBWVYVRXBMV-LRDDRELGSA-N 0 0 471.321 4.945 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001456165279 1066526973 /nfs/dbraw/zinc/52/69/73/1066526973.db2.gz QBEAEVVAMOCTQX-UHFFFAOYSA-N 0 0 455.498 4.964 20 0 JJADRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC001444989004 1066527066 /nfs/dbraw/zinc/52/70/66/1066527066.db2.gz SMCAWUMBRDEQTI-UHFFFAOYSA-N 0 0 456.340 4.976 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 ZINC001444990501 1066527088 /nfs/dbraw/zinc/52/70/88/1066527088.db2.gz WHAUOJZXWMLSLZ-QFIPXVFZSA-N 0 0 454.615 4.943 20 0 JJADRN Cc1c(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc(Br)cc1C(F)(F)F ZINC001456167758 1066527055 /nfs/dbraw/zinc/52/70/55/1066527055.db2.gz DROWBLONEYVPRX-HNNXBMFYSA-N 0 0 455.274 4.764 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545971283 1066527519 /nfs/dbraw/zinc/52/75/19/1066527519.db2.gz UXMPPCWRSVJAMD-UNMCSNQZSA-N 0 0 494.615 4.852 20 0 JJADRN C[C@H](CC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001456169548 1066527452 /nfs/dbraw/zinc/52/74/52/1066527452.db2.gz WBPLXBJJWNKSHD-BEFAXECRSA-N 0 0 458.521 4.528 20 0 JJADRN C[C@H](CC(=O)N[C@H](CO)c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001456169554 1066527525 /nfs/dbraw/zinc/52/75/25/1066527525.db2.gz WBPLXBJJWNKSHD-DNVCBOLYSA-N 0 0 458.521 4.528 20 0 JJADRN Cc1nc(CC(C)C)c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)s1 ZINC001456170134 1066527540 /nfs/dbraw/zinc/52/75/40/1066527540.db2.gz AVCYSOMIXXBDGY-HXUWFJFHSA-N 0 0 450.048 4.885 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)n2CCSCC(F)(F)F)o1 ZINC001361198588 1066527684 /nfs/dbraw/zinc/52/76/84/1066527684.db2.gz XPSYJIQPUWACNO-MRXNPFEDSA-N 0 0 499.603 4.617 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCCCCCO)o1 ZINC001361199191 1066527935 /nfs/dbraw/zinc/52/79/35/1066527935.db2.gz ACJWRUXUUSVFGA-UHFFFAOYSA-N 0 0 454.415 4.720 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCN2CCOCC2)cc1Br ZINC001361199460 1066527950 /nfs/dbraw/zinc/52/79/50/1066527950.db2.gz DYQUZHCWLSSPRM-FQEVSTJZSA-N 0 0 490.490 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC001444996180 1066528109 /nfs/dbraw/zinc/52/81/09/1066528109.db2.gz JDXXPMUPSCYGPK-CQSZACIVSA-N 0 0 450.992 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2Cc2cc(C(C)(C)C)no2)o1 ZINC001361199321 1066528167 /nfs/dbraw/zinc/52/81/67/1066528167.db2.gz CLNDYUBBKMKSNN-JOCHJYFZSA-N 0 0 481.519 4.710 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 ZINC001456172673 1066528555 /nfs/dbraw/zinc/52/85/55/1066528555.db2.gz XFGRCJXZLJUREY-UHFFFAOYSA-N 0 0 450.535 4.855 20 0 JJADRN Cc1nc2cc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)ccc2n1Cc1ccsc1 ZINC001361199654 1066528661 /nfs/dbraw/zinc/52/86/61/1066528661.db2.gz VCPXCTHVFFCITI-UHFFFAOYSA-N 0 0 459.980 4.764 20 0 JJADRN Cc1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)nn1-c1ccc(Br)cc1 ZINC001456175596 1066528973 /nfs/dbraw/zinc/52/89/73/1066528973.db2.gz CVDVTVQKDQSMJW-IBGZPJMESA-N 0 0 453.365 4.919 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)o1 ZINC001361199901 1066528877 /nfs/dbraw/zinc/52/88/77/1066528877.db2.gz KGFTWXVJWSTDCH-ROUUACIJSA-N 0 0 455.559 4.536 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2Cc2ccsc2)o1 ZINC001361199856 1066528965 /nfs/dbraw/zinc/52/89/65/1066528965.db2.gz JMJRUTBDYQDOAN-SJLPKXTDSA-N 0 0 457.600 4.696 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1 ZINC001456176412 1066529608 /nfs/dbraw/zinc/52/96/08/1066529608.db2.gz WFHYHNZGKKLGLP-UHFFFAOYSA-N 0 0 456.543 4.578 20 0 JJADRN COCCOCc1ccc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1 ZINC001456176825 1066529620 /nfs/dbraw/zinc/52/96/20/1066529620.db2.gz GTVJGZSZWHCEKL-IBGZPJMESA-N 0 0 450.398 4.921 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccccc2Cl)C1 ZINC001445005665 1066529604 /nfs/dbraw/zinc/52/96/04/1066529604.db2.gz AWCJOBORNYIRBC-LSDHHAIUSA-N 0 0 450.954 4.860 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2CC2(O)CCCCC2)o1 ZINC001361200252 1066529957 /nfs/dbraw/zinc/52/99/57/1066529957.db2.gz QWBCGIJJVUTWJU-LJQANCHMSA-N 0 0 487.645 4.671 20 0 JJADRN C[C@H]1CN(Cc2ccc(C(=O)Oc3cccc(CNC(=O)OC(C)(C)C)c3)cc2)C[C@H](C)O1 ZINC001456177879 1066529987 /nfs/dbraw/zinc/52/99/87/1066529987.db2.gz HCZKILUROCXBQL-OALUTQOASA-N 0 0 454.567 4.540 20 0 JJADRN CCNC(=O)NCc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 ZINC001445017451 1066530043 /nfs/dbraw/zinc/53/00/43/1066530043.db2.gz IMJDYKJZQKJXIE-UHFFFAOYSA-N 0 0 459.575 4.698 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC001445012718 1066530064 /nfs/dbraw/zinc/53/00/64/1066530064.db2.gz VPFNWUPPRXZDRJ-OAHLLOKOSA-N 0 0 450.954 4.862 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)OC ZINC001545971471 1066530161 /nfs/dbraw/zinc/53/01/61/1066530161.db2.gz YGYMWQNACYPWBN-LJQANCHMSA-N 0 0 494.949 4.764 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCc2ccc(Cl)cc2)o1 ZINC001361200451 1066530386 /nfs/dbraw/zinc/53/03/86/1066530386.db2.gz WWDJYQGBAWOCDW-UHFFFAOYSA-N 0 0 495.933 4.638 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361200426 1066530507 /nfs/dbraw/zinc/53/05/07/1066530507.db2.gz WHFNJTSBHHDVIK-GOSISDBHSA-N 0 0 463.504 4.908 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1=O ZINC001456178535 1066530571 /nfs/dbraw/zinc/53/05/71/1066530571.db2.gz LWTVMDNTTDFJCY-GOSISDBHSA-N 0 0 453.970 4.520 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Cc2c(C)nc3c(c(=O)[nH]n3C)c2C)cc1 ZINC001445029255 1066530956 /nfs/dbraw/zinc/53/09/56/1066530956.db2.gz MAQXNHNOPORTPX-GOSISDBHSA-N 0 0 458.562 4.728 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2nn(C(C)(C)C)cc2Br)c1 ZINC001456180125 1066530948 /nfs/dbraw/zinc/53/09/48/1066530948.db2.gz TXYNZGOIEAYWPN-UHFFFAOYSA-N 0 0 452.349 4.645 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001456179638 1066530958 /nfs/dbraw/zinc/53/09/58/1066530958.db2.gz UYCJHXZLPQKSQO-LJQANCHMSA-N 0 0 450.576 4.946 20 0 JJADRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001445033257 1066531086 /nfs/dbraw/zinc/53/10/86/1066531086.db2.gz DXFRIJFOOXVJDG-UHFFFAOYSA-N 0 0 455.514 4.826 20 0 JJADRN CC(C)C[C@@H](C(=O)NC[C@H](C)Oc1cccc(Br)c1)N(C)C(=O)OC(C)(C)C ZINC001445031912 1066531097 /nfs/dbraw/zinc/53/10/97/1066531097.db2.gz OQWYODCZQMCNQU-YJBOKZPZSA-N 0 0 457.409 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)Nc1nc(Cc2ccccc2)ns1 ZINC001456181481 1066531373 /nfs/dbraw/zinc/53/13/73/1066531373.db2.gz UBWWASCWUZOMBF-LJQANCHMSA-N 0 0 450.564 4.950 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001456181587 1066531387 /nfs/dbraw/zinc/53/13/87/1066531387.db2.gz CQGCHLBYOVXVSU-UHFFFAOYSA-N 0 0 450.448 4.909 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCN2CCOC2=O)cc1Br ZINC001361201574 1066531399 /nfs/dbraw/zinc/53/13/99/1066531399.db2.gz DUJSSPMXCLLMCY-QGZVFWFLSA-N 0 0 490.446 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)o1 ZINC001361201509 1066531428 /nfs/dbraw/zinc/53/14/28/1066531428.db2.gz CIDSCAXOOBDZSH-RBUKOAKNSA-N 0 0 473.618 4.545 20 0 JJADRN C[C@@H](c1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)N1CCOCC1 ZINC001456181722 1066531487 /nfs/dbraw/zinc/53/14/87/1066531487.db2.gz WDOLYFDPNXPNPL-CVDCTZTESA-N 0 0 459.631 4.882 20 0 JJADRN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001456184796 1066531848 /nfs/dbraw/zinc/53/18/48/1066531848.db2.gz VFETYDQJGWGJDD-MGPLVRAMSA-N 0 0 456.736 4.742 20 0 JJADRN C[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001445039641 1066531930 /nfs/dbraw/zinc/53/19/30/1066531930.db2.gz XNZCGGWPMHWRMO-QGZVFWFLSA-N 0 0 455.624 4.920 20 0 JJADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC001445039467 1066532093 /nfs/dbraw/zinc/53/20/93/1066532093.db2.gz SZFBWDMLIKUCAX-UHFFFAOYSA-N 0 0 450.604 4.961 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001361202391 1066532396 /nfs/dbraw/zinc/53/23/96/1066532396.db2.gz HYOJROCCLVPERP-UHFFFAOYSA-N 0 0 451.626 4.864 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)c1ccccc1 ZINC001456185431 1066532470 /nfs/dbraw/zinc/53/24/70/1066532470.db2.gz AHFSWBUMDFDTGF-NDEPHWFRSA-N 0 0 457.526 4.957 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCc2ccc(OCC(F)(F)F)nc2)o1 ZINC001361202962 1066532817 /nfs/dbraw/zinc/53/28/17/1066532817.db2.gz VYXURIXNVPNWAO-HOTGVXAUSA-N 0 0 463.504 4.908 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C(=O)N1c1ccccc1 ZINC001361203018 1066532935 /nfs/dbraw/zinc/53/29/35/1066532935.db2.gz NSXQPDZVSZZLFO-MGPUTAFESA-N 0 0 455.436 4.817 20 0 JJADRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)cs1 ZINC001445047110 1066532993 /nfs/dbraw/zinc/53/29/93/1066532993.db2.gz GONBBTNSYPHGJL-JKSUJKDBSA-N 0 0 454.061 4.719 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N[C@H](C)c3ccc(SCCOC)cc3)c(=O)oc2c1 ZINC001456186900 1066533010 /nfs/dbraw/zinc/53/30/10/1066533010.db2.gz XWHIJNJXNUBZKX-QGZVFWFLSA-N 0 0 454.592 4.869 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(F)cc1 ZINC001456188371 1066533098 /nfs/dbraw/zinc/53/30/98/1066533098.db2.gz XSVHVKSBZATCBF-HXUWFJFHSA-N 0 0 458.574 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)CC3)n2CCn2cc(Cl)cn2)cc1Br ZINC001361203214 1066533336 /nfs/dbraw/zinc/53/33/36/1066533336.db2.gz YGCQVBKWPFWUEF-UHFFFAOYSA-N 0 0 463.811 4.802 20 0 JJADRN Cc1ccc([C@@H](NC(=O)CCCN(C)C(=O)c2ccncc2)c2ccc(F)cc2Cl)cc1 ZINC001456188714 1066533426 /nfs/dbraw/zinc/53/34/26/1066533426.db2.gz QIRDHTREDVMKIL-XMMPIXPASA-N 0 0 453.945 4.941 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2Cc2ccccc2)o1 ZINC001361203951 1066533819 /nfs/dbraw/zinc/53/38/19/1066533819.db2.gz GTXFONQXKGIFEL-UHFFFAOYSA-N 0 0 465.598 4.978 20 0 JJADRN CCn1c(SCC(=O)NC2(c3ccccc3)CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC001456196306 1066534203 /nfs/dbraw/zinc/53/42/03/1066534203.db2.gz NFFOHQGNGNZERF-UHFFFAOYSA-N 0 0 456.999 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)C1 ZINC001456197671 1066534680 /nfs/dbraw/zinc/53/46/80/1066534680.db2.gz HGYMOFRETRMTPR-UHFFFAOYSA-N 0 0 456.608 4.560 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001445055945 1066534738 /nfs/dbraw/zinc/53/47/38/1066534738.db2.gz YSBQNPFBPHTWJL-SANMLTNESA-N 0 0 454.567 4.698 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C4CC4)C3)n2CCCOC(F)F)cc1Br ZINC001361204417 1066535039 /nfs/dbraw/zinc/53/50/39/1066535039.db2.gz WDUCJJALHLJITM-MRXNPFEDSA-N 0 0 455.347 4.882 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)CC2)cc1 ZINC001445058690 1066535224 /nfs/dbraw/zinc/53/52/24/1066535224.db2.gz PXBGWHNETYFHAQ-AREMUKBSSA-N 0 0 457.574 4.565 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CC[C@H](C)C2)cc1Br ZINC001361204528 1066535695 /nfs/dbraw/zinc/53/56/95/1066535695.db2.gz ZEFFHRZBUIRLMI-LPHOPBHVSA-N 0 0 488.474 4.934 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001456199954 1066535832 /nfs/dbraw/zinc/53/58/32/1066535832.db2.gz VINJCKZMPJNATN-IEBWSBKVSA-N 0 0 451.405 4.726 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCS2)o1 ZINC001361205184 1066536347 /nfs/dbraw/zinc/53/63/47/1066536347.db2.gz DYWYSRGEDDTWIY-IBGZPJMESA-N 0 0 475.659 4.825 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CC[C@H](C)CC3)[C@@H]2c2ccccc2OC)cc1 ZINC001456200918 1066536373 /nfs/dbraw/zinc/53/63/73/1066536373.db2.gz VFKIMPZJYOZBTG-IFXKSHNJSA-N 0 0 450.579 4.883 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n1 ZINC001456201795 1066536685 /nfs/dbraw/zinc/53/66/85/1066536685.db2.gz XXLXFDFOSKVUNB-HNNXBMFYSA-N 0 0 456.340 4.629 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)CCCc2ccccc2Br)n1 ZINC001456201978 1066536882 /nfs/dbraw/zinc/53/68/82/1066536882.db2.gz YVHVRNOMPRRULH-UHFFFAOYSA-N 0 0 456.340 4.773 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCNC(=O)c2ccc(C)c(F)c2)o1 ZINC001361205512 1066536926 /nfs/dbraw/zinc/53/69/26/1066536926.db2.gz KLUOEPWCPFIEQP-UHFFFAOYSA-N 0 0 478.355 4.623 20 0 JJADRN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456204179 1066537254 /nfs/dbraw/zinc/53/72/54/1066537254.db2.gz AIVFOELVXXJNSB-VGSWGCGISA-N 0 0 452.576 4.688 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C[C@@H]1CCCO1 ZINC001445082294 1066537324 /nfs/dbraw/zinc/53/73/24/1066537324.db2.gz ORYKGZWYJDSTGY-IBGZPJMESA-N 0 0 456.587 4.965 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CCc2cccc(F)c2)o1 ZINC001361205726 1066537413 /nfs/dbraw/zinc/53/74/13/1066537413.db2.gz QRQFIRVSNVWLGH-UHFFFAOYSA-N 0 0 483.588 4.969 20 0 JJADRN CS[C@@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001445081481 1066537526 /nfs/dbraw/zinc/53/75/26/1066537526.db2.gz NJUWUVNERAJBEN-HZPDHXFCSA-N 0 0 456.992 4.602 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 ZINC001456207350 1066537726 /nfs/dbraw/zinc/53/77/26/1066537726.db2.gz UVBLFVGFVBWGKL-UHFFFAOYSA-N 0 0 457.958 4.916 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCOCC(F)F)cc1Br ZINC001361205952 1066537869 /nfs/dbraw/zinc/53/78/69/1066537869.db2.gz YYDWCSSVQXDLKK-UHFFFAOYSA-N 0 0 465.289 4.533 20 0 JJADRN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084888 1066538108 /nfs/dbraw/zinc/53/81/08/1066538108.db2.gz XSUTWXUXTXPORO-MRXNPFEDSA-N 0 0 457.983 4.830 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)o1 ZINC001361206331 1066538301 /nfs/dbraw/zinc/53/83/01/1066538301.db2.gz KCRKWHROBMNMMG-QINHECLXSA-N 0 0 459.384 4.957 20 0 JJADRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)o1 ZINC001361206330 1066538346 /nfs/dbraw/zinc/53/83/46/1066538346.db2.gz KCRKWHROBMNMMG-GUXCAODWSA-N 0 0 459.384 4.957 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)o1 ZINC001361206378 1066538362 /nfs/dbraw/zinc/53/83/62/1066538362.db2.gz LALURIKMGRNMLG-SUMWQHHRSA-N 0 0 454.386 4.621 20 0 JJADRN CCc1c(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)nnn1-c1cccc(Cl)c1 ZINC001456211447 1066538545 /nfs/dbraw/zinc/53/85/45/1066538545.db2.gz GZKMXGNXOKYJCX-UHFFFAOYSA-N 0 0 455.305 4.971 20 0 JJADRN COc1cc(/C=C/C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc(Br)c1O ZINC001456212584 1066538658 /nfs/dbraw/zinc/53/86/58/1066538658.db2.gz RWSOCJUKMUEBMG-UFFNRZRYSA-N 0 0 452.732 4.642 20 0 JJADRN COC[C@@H](NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 ZINC001361206425 1066538815 /nfs/dbraw/zinc/53/88/15/1066538815.db2.gz MKQNODQDFYMGNM-NBQSVRDQSA-N 0 0 454.498 4.535 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCc2ccc(F)cc2C)o1 ZINC001361207003 1066538917 /nfs/dbraw/zinc/53/89/17/1066538917.db2.gz FPKARBNNSCNSFH-NRFANRHFSA-N 0 0 483.588 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC001361207104 1066539368 /nfs/dbraw/zinc/53/93/68/1066539368.db2.gz JFQHFWSCUDCXQT-DOTOQJQBSA-N 0 0 469.374 4.803 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC001456216322 1066539571 /nfs/dbraw/zinc/53/95/71/1066539571.db2.gz XXAZTUAEOKTMMP-UHFFFAOYSA-N 0 0 454.958 4.805 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)c2ncc(C)s2)o1 ZINC001361207115 1066539707 /nfs/dbraw/zinc/53/97/07/1066539707.db2.gz JNCFGJWNODMBNB-MAUKXSAKSA-N 0 0 486.642 4.861 20 0 JJADRN Cn1nc(CC(C)(C)C)cc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001456219714 1066539875 /nfs/dbraw/zinc/53/98/75/1066539875.db2.gz OKHIAIMUVQKTLJ-KRWDZBQOSA-N 0 0 454.493 4.585 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)CCCC2)cc1 ZINC001456221729 1066539923 /nfs/dbraw/zinc/53/99/23/1066539923.db2.gz YIOPSFNOHGMVPY-HHHXNRCGSA-N 0 0 453.627 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361207478 1066540082 /nfs/dbraw/zinc/54/00/82/1066540082.db2.gz UENFMAIUQKKUMH-IBGZPJMESA-N 0 0 469.561 4.788 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(Cl)cc2)o1 ZINC001361207345 1066540132 /nfs/dbraw/zinc/54/01/32/1066540132.db2.gz QSYHGDCSHOHSPU-GOSISDBHSA-N 0 0 457.962 4.652 20 0 JJADRN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC001456224051 1066540457 /nfs/dbraw/zinc/54/04/57/1066540457.db2.gz LFNBHNSGJLSGNC-HNNXBMFYSA-N 0 0 453.967 4.768 20 0 JJADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC001445155261 1066540584 /nfs/dbraw/zinc/54/05/84/1066540584.db2.gz IIPJPKGSIXLYQE-NRFANRHFSA-N 0 0 458.624 4.809 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)c(C)c2)o1 ZINC001361207479 1066540636 /nfs/dbraw/zinc/54/06/36/1066540636.db2.gz UENFMAIUQKKUMH-LJQANCHMSA-N 0 0 469.561 4.788 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2cc(CCc3ccccc3)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001361208299 1066540955 /nfs/dbraw/zinc/54/09/55/1066540955.db2.gz PPODDTXIOAJYGU-CYFREDJKSA-N 0 0 451.929 4.817 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCS[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001545972370 1066541146 /nfs/dbraw/zinc/54/11/46/1066541146.db2.gz DYNIDEWSVDUCIH-XMSQKQJNSA-N 0 0 457.619 4.858 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)[C@@H]1CNC(=O)OC(C)(C)C ZINC001445158745 1066541260 /nfs/dbraw/zinc/54/12/60/1066541260.db2.gz PFNTYUJPPBRZKY-CXAGYDPISA-N 0 0 450.377 4.696 20 0 JJADRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC001456231401 1066541126 /nfs/dbraw/zinc/54/11/26/1066541126.db2.gz ZKOHWEQOWKGJBD-CALCHBBNSA-N 0 0 458.580 4.866 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CCC(=O)NC2CCCCC2)o1 ZINC001361208619 1066541173 /nfs/dbraw/zinc/54/11/73/1066541173.db2.gz CEOJGWRRVWAKND-UHFFFAOYSA-N 0 0 471.646 4.717 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)Cc3nc(C4CCCC4)cs3)ccc2C)ccn1 ZINC001445158831 1066541322 /nfs/dbraw/zinc/54/13/22/1066541322.db2.gz KONYWXGGHRYNJY-UHFFFAOYSA-N 0 0 450.564 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2C[C@@](C)(O)c2cc(C)oc2C)o1 ZINC001361208975 1066541708 /nfs/dbraw/zinc/54/17/08/1066541708.db2.gz IPYFJVWDEIETMP-AREMUKBSSA-N 0 0 470.614 4.996 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)o1 ZINC001361208994 1066541825 /nfs/dbraw/zinc/54/18/25/1066541825.db2.gz JDJSHLMGUXCHGL-GOSISDBHSA-N 0 0 487.645 4.745 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC001456238829 1066542219 /nfs/dbraw/zinc/54/22/19/1066542219.db2.gz DRBMIBWYDIKYAA-QPPBQGQZSA-N 0 0 452.530 4.624 20 0 JJADRN Cc1cc(=O)n(C)cc1NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001445167839 1066542261 /nfs/dbraw/zinc/54/22/61/1066542261.db2.gz VNXQJEIHODQIQP-UHFFFAOYSA-N 0 0 453.498 4.991 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(Cn2ccnn2)cc1 ZINC001456238795 1066542278 /nfs/dbraw/zinc/54/22/78/1066542278.db2.gz GALRUUUSUFDHMG-UHFFFAOYSA-N 0 0 457.387 4.924 20 0 JJADRN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001456239826 1066542739 /nfs/dbraw/zinc/54/27/39/1066542739.db2.gz IQMATIIZEZJCNH-UHFFFAOYSA-N 0 0 454.401 4.688 20 0 JJADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC001445172282 1066542782 /nfs/dbraw/zinc/54/27/82/1066542782.db2.gz CZJPTLCMRYKHRS-UHFFFAOYSA-N 0 0 456.505 4.722 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(C)n1Cc1ccccc1 ZINC001445171524 1066542920 /nfs/dbraw/zinc/54/29/20/1066542920.db2.gz FHTYFNADRMIOAV-HXUWFJFHSA-N 0 0 455.480 4.707 20 0 JJADRN Cc1c(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@H](C(C)C)C2)cnn1C ZINC001361210165 1066543392 /nfs/dbraw/zinc/54/33/92/1066543392.db2.gz CIBZIFUSGYVQKL-IBGZPJMESA-N 0 0 471.447 4.979 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC001456241004 1066543411 /nfs/dbraw/zinc/54/34/11/1066543411.db2.gz JTFIBDOTCNOPPC-UHFFFAOYSA-N 0 0 451.592 4.843 20 0 JJADRN O=C(N1CC(Cc2ccc(Cl)cc2)C1)C1(c2ccc(I)cc2)CC1 ZINC001445176502 1066543768 /nfs/dbraw/zinc/54/37/68/1066543768.db2.gz JTKDPTCRAAJOGD-UHFFFAOYSA-N 0 0 451.735 4.677 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001456244158 1066544185 /nfs/dbraw/zinc/54/41/85/1066544185.db2.gz RFQLQAGLURQTBE-IBGZPJMESA-N 0 0 456.543 4.548 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)o1 ZINC001361210603 1066544233 /nfs/dbraw/zinc/54/42/33/1066544233.db2.gz PDUJAXFXDQYKOW-VFNWGFHPSA-N 0 0 470.442 4.778 20 0 JJADRN Cc1nc2cc(F)cc(C(=O)N3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)c2nc1C ZINC001445191793 1066544322 /nfs/dbraw/zinc/54/43/22/1066544322.db2.gz XNRBZRXQOFZEDV-UHFFFAOYSA-N 0 0 456.562 4.637 20 0 JJADRN COc1cc(F)c([C@@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1OC ZINC001456245585 1066544677 /nfs/dbraw/zinc/54/46/77/1066544677.db2.gz MVVWLDZPSCSLNV-CYBMUJFWSA-N 0 0 451.420 4.847 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1 ZINC001445193499 1066544794 /nfs/dbraw/zinc/54/47/94/1066544794.db2.gz PLRTYMPKRRMDJR-OALUTQOASA-N 0 0 454.998 4.823 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cccc4cccc(Br)c43)C2)c1 ZINC001361211533 1066545003 /nfs/dbraw/zinc/54/50/03/1066545003.db2.gz RPELADCLKWIOBO-MRXNPFEDSA-N 0 0 455.352 4.628 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001361211289 1066545031 /nfs/dbraw/zinc/54/50/31/1066545031.db2.gz ZVNABSUCOKMEPA-QGZVFWFLSA-N 0 0 493.400 4.896 20 0 JJADRN CCCc1nc(C(=O)N2CCC(OCCc3ccccc3)CC2)nn1-c1ccccc1Cl ZINC001456246995 1066545257 /nfs/dbraw/zinc/54/52/57/1066545257.db2.gz QMRPPIQYQYGQNU-UHFFFAOYSA-N 0 0 452.986 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)o1 ZINC001361211789 1066545442 /nfs/dbraw/zinc/54/54/42/1066545442.db2.gz AKESEMXITXRJEN-HXUWFJFHSA-N 0 0 487.645 4.747 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1Br ZINC001361211813 1066545557 /nfs/dbraw/zinc/54/55/57/1066545557.db2.gz AZAYCRHSXCFYDW-VQIMIIECSA-N 0 0 495.487 4.610 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC001361211759 1066545620 /nfs/dbraw/zinc/54/56/20/1066545620.db2.gz ZZUAQNKHJAVBBQ-UHFFFAOYSA-N 0 0 450.434 4.916 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(Cl)ccc2NC2CC2)c1 ZINC001445214107 1066545782 /nfs/dbraw/zinc/54/57/82/1066545782.db2.gz DSKHSNZXQYTSKM-NRFANRHFSA-N 0 0 459.974 4.997 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@](C)(O)C2CCCCC2)o1 ZINC001361211975 1066546006 /nfs/dbraw/zinc/54/60/06/1066546006.db2.gz FDKPNQFGMZILAQ-NFQMXDRXSA-N 0 0 485.673 4.557 20 0 JJADRN CCOC(=O)[C@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CC1 ZINC001456250147 1066546052 /nfs/dbraw/zinc/54/60/52/1066546052.db2.gz UEIRGWXCELOAMQ-PZSRYKBRSA-N 0 0 450.560 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361212089 1066546425 /nfs/dbraw/zinc/54/64/25/1066546425.db2.gz GVSXDZLYRZXYCU-RTWAWAEBSA-N 0 0 487.645 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361212046 1066546519 /nfs/dbraw/zinc/54/65/19/1066546519.db2.gz GFARVPNYLQMTRM-GOSISDBHSA-N 0 0 477.556 4.895 20 0 JJADRN CC(C)(O)COc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 ZINC001445220019 1066546554 /nfs/dbraw/zinc/54/65/54/1066546554.db2.gz WSBGTLYYSPRFNL-UHFFFAOYSA-N 0 0 456.589 4.881 20 0 JJADRN O=C(NCc1cccc(NC(=O)c2cc(=O)[nH]c3c2CCCC3)c1)Nc1ccccc1Cl ZINC001445221166 1066546589 /nfs/dbraw/zinc/54/65/89/1066546589.db2.gz MENXLRXCINMWBH-UHFFFAOYSA-N 0 0 450.926 4.893 20 0 JJADRN CC[C@H](C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456250422 1066546650 /nfs/dbraw/zinc/54/66/50/1066546650.db2.gz LGLOCFNEMNWIPR-QGZVFWFLSA-N 0 0 453.959 4.719 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCCC2(C)C)cc1Br ZINC001361212181 1066546833 /nfs/dbraw/zinc/54/68/33/1066546833.db2.gz ISVWHYDYWFVHJO-MJGOQNOKSA-N 0 0 488.474 4.934 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1 ZINC001456251496 1066547025 /nfs/dbraw/zinc/54/70/25/1066547025.db2.gz WIXUKBQOIAMBHY-RTWAWAEBSA-N 0 0 454.596 4.761 20 0 JJADRN Cc1ccc(Br)c(C(=O)Nc2cc(F)c(F)cc2I)c1 ZINC001361212611 1066547300 /nfs/dbraw/zinc/54/73/00/1066547300.db2.gz GEORDWANNZMYOA-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001456253685 1066547535 /nfs/dbraw/zinc/54/75/35/1066547535.db2.gz WJSFLHVBGBWERA-KBPBESRZSA-N 0 0 450.322 4.559 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229866 1066547475 /nfs/dbraw/zinc/54/74/75/1066547475.db2.gz DAEIFOOUIRXUCN-JKJSLYJUSA-N 0 0 457.423 4.621 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001445229313 1066547642 /nfs/dbraw/zinc/54/76/42/1066547642.db2.gz AETCAWLIDXGCJI-ROUUACIJSA-N 0 0 451.325 4.555 20 0 JJADRN CCCc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cnn1-c1ccc(C)cc1 ZINC001445229510 1066547706 /nfs/dbraw/zinc/54/77/06/1066547706.db2.gz FCHLMTPDUNGXMW-CTNGQTDRSA-N 0 0 452.599 4.747 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC001456255701 1066548006 /nfs/dbraw/zinc/54/80/06/1066548006.db2.gz VQPRFMGDYXMMSS-SFHVURJKSA-N 0 0 457.423 4.775 20 0 JJADRN O=C(N(Cc1ccccc1)C[C@@H](O)c1ccco1)C(F)(F)c1cccc(Br)c1 ZINC001445242549 1066548349 /nfs/dbraw/zinc/54/83/49/1066548349.db2.gz NHCFONYEXSNLSC-GOSISDBHSA-N 0 0 450.279 4.896 20 0 JJADRN C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001456261550 1066548414 /nfs/dbraw/zinc/54/84/14/1066548414.db2.gz ZFCVHCQHJQYUMC-MRXNPFEDSA-N 0 0 459.537 4.821 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1I)c1occc1COc1ccccc1 ZINC001361213648 1066548762 /nfs/dbraw/zinc/54/87/62/1066548762.db2.gz WSKMLYOABQUUHO-UHFFFAOYSA-N 0 0 455.198 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262849 1066548909 /nfs/dbraw/zinc/54/89/09/1066548909.db2.gz FLSAOKCZKBNGCH-IMJJTQAJSA-N 0 0 453.860 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCCOC2CCCC2)o1 ZINC001361213923 1066549083 /nfs/dbraw/zinc/54/90/83/1066549083.db2.gz DTUIUAYGCLCEFY-FQEVSTJZSA-N 0 0 487.645 4.937 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CCN(CC(F)(F)F)c4ccccc43)c2)n1 ZINC001445246985 1066549087 /nfs/dbraw/zinc/54/90/87/1066549087.db2.gz UFHNWSYWJZPIEG-UHFFFAOYSA-N 0 0 457.456 4.572 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361213890 1066549216 /nfs/dbraw/zinc/54/92/16/1066549216.db2.gz CWBFCFVUPAHNFA-HXUWFJFHSA-N 0 0 496.612 4.571 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCO[C@@H](C)c2ccccc2)o1 ZINC001361214023 1066549317 /nfs/dbraw/zinc/54/93/17/1066549317.db2.gz HHUDWWZBCBPDQQ-JTHBVZDNSA-N 0 0 479.625 4.755 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)c2ccccn2)o1 ZINC001361214184 1066549751 /nfs/dbraw/zinc/54/97/51/1066549751.db2.gz KGMLUNVOUQCGGG-LJQANCHMSA-N 0 0 480.613 4.713 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973150 1066549742 /nfs/dbraw/zinc/54/97/42/1066549742.db2.gz TVCZRBBJSMLZNW-UNMCSNQZSA-N 0 0 492.624 4.549 20 0 JJADRN O=C(CCSc1ccc2c(c1)OCCO2)NCCCc1ccc(Br)cc1F ZINC001456266140 1066549780 /nfs/dbraw/zinc/54/97/80/1066549780.db2.gz PFTWHZGSMUSERR-UHFFFAOYSA-N 0 0 454.361 4.591 20 0 JJADRN CCOC(=O)Oc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001456265660 1066549811 /nfs/dbraw/zinc/54/98/11/1066549811.db2.gz GNNMUEJVUZYZGU-SFHVURJKSA-N 0 0 454.523 4.881 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)COCc2ccccc2)o1 ZINC001361214390 1066549966 /nfs/dbraw/zinc/54/99/66/1066549966.db2.gz OHGPGANYGVGVJX-OFNKIYASSA-N 0 0 493.652 4.831 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(F)cc1F ZINC001456268200 1066549991 /nfs/dbraw/zinc/54/99/91/1066549991.db2.gz HADVLNLCHCLEJJ-CYBMUJFWSA-N 0 0 451.441 4.959 20 0 JJADRN COC(=O)CCC1CCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC001445266493 1066550216 /nfs/dbraw/zinc/55/02/16/1066550216.db2.gz AGWDNBFOAXACSZ-UHFFFAOYSA-N 0 0 453.926 4.862 20 0 JJADRN Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001456269095 1066550592 /nfs/dbraw/zinc/55/05/92/1066550592.db2.gz LKCCRBSRXICIIG-UHFFFAOYSA-N 0 0 451.876 4.935 20 0 JJADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](C)c1nc(-c3ccc(Cl)cc3)no1)O2 ZINC001456269176 1066550836 /nfs/dbraw/zinc/55/08/36/1066550836.db2.gz NNVIBSZRJIUUGS-MYYSRTQBSA-N 0 0 455.942 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)c2nccs2)o1 ZINC001361214606 1066551207 /nfs/dbraw/zinc/55/12/07/1066551207.db2.gz SSXMBKDSTOMNAA-FUHWJXTLSA-N 0 0 486.642 4.942 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)c1nc(Br)ccc1Br)c1cccs1 ZINC001445273247 1066551220 /nfs/dbraw/zinc/55/12/20/1066551220.db2.gz MPLVTOVJCYKWEZ-SNVBAGLBSA-N 0 0 458.175 4.546 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001456270237 1066551350 /nfs/dbraw/zinc/55/13/50/1066551350.db2.gz PDRXHTOXRAENJW-UHFFFAOYSA-N 0 0 458.480 4.968 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cccs1 ZINC001445276621 1066551886 /nfs/dbraw/zinc/55/18/86/1066551886.db2.gz QNCFHNCNUKMGBY-INIZCTEOSA-N 0 0 450.482 4.771 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCCc4cc(Br)cc(C)c43)cc2n1 ZINC001361215352 1066552066 /nfs/dbraw/zinc/55/20/66/1066552066.db2.gz LGYGANVFFFBUQU-UHFFFAOYSA-N 0 0 453.262 4.720 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2Cc2ccccc2OC(F)(F)F)o1 ZINC001361214887 1066552125 /nfs/dbraw/zinc/55/21/25/1066552125.db2.gz ZGZARTBIZKGTRX-SFHVURJKSA-N 0 0 491.514 4.534 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(F)cc2I)c(C)n1C[C@H]1CCCOC1 ZINC001445277972 1066552327 /nfs/dbraw/zinc/55/23/27/1066552327.db2.gz YNXBTEQFTCBUIV-CQSZACIVSA-N 0 0 456.299 4.528 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1ccc(F)cc1Br)C1CCCCC1 ZINC001456273725 1066552396 /nfs/dbraw/zinc/55/23/96/1066552396.db2.gz BNBOIPUTMNHEAT-GOSISDBHSA-N 0 0 457.384 4.721 20 0 JJADRN CC[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001456274737 1066552878 /nfs/dbraw/zinc/55/28/78/1066552878.db2.gz ZQIITDPSFOUBLW-LJQANCHMSA-N 0 0 454.596 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCCCS2)cc1Br ZINC001361217394 1066552994 /nfs/dbraw/zinc/55/29/94/1066552994.db2.gz IEDGWMAFRBSKID-QGZVFWFLSA-N 0 0 451.434 4.528 20 0 JJADRN C[C@@H]1CCC[C@@H](N(Cc2c(F)cccc2Cl)C(=O)c2csc(S(N)(=O)=O)c2)[C@@H]1C ZINC001445284071 1066553298 /nfs/dbraw/zinc/55/32/98/1066553298.db2.gz GQGFWXMUWGHWMY-SNUQEOBHSA-N 0 0 459.008 4.655 20 0 JJADRN CC[C@H](CNC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)Oc1cccc(F)c1 ZINC001445286438 1066553341 /nfs/dbraw/zinc/55/33/41/1066553341.db2.gz RWXALLCZKGKADM-LJQANCHMSA-N 0 0 458.530 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[C@@H]2CCCCO2)cc1Br ZINC001361217762 1066553378 /nfs/dbraw/zinc/55/33/78/1066553378.db2.gz MFAGMCPZYNBDJH-ICSRJNTNSA-N 0 0 477.447 4.981 20 0 JJADRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C)C2=O ZINC001361217626 1066553480 /nfs/dbraw/zinc/55/34/80/1066553480.db2.gz IHWFWLONEPZWOQ-WXJXEWBDSA-N 0 0 453.627 4.731 20 0 JJADRN CCNC(=O)COc1cccc(CNC(=O)/C(=C\c2cccc(Cl)c2)c2cccs2)c1 ZINC001445286738 1066553716 /nfs/dbraw/zinc/55/37/16/1066553716.db2.gz PXGMFTYVYSQDJI-STZFKDTASA-N 0 0 454.979 4.773 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3cccnc3)C(C)C)ccc2C)c1 ZINC001445287877 1066553764 /nfs/dbraw/zinc/55/37/64/1066553764.db2.gz MNQUKIQZOCGKNG-HSZRJFAPSA-N 0 0 451.592 4.669 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2CCOCCCO)cc1Br ZINC001361217808 1066553790 /nfs/dbraw/zinc/55/37/90/1066553790.db2.gz HAWXVGBMLQZOTE-LJQANCHMSA-N 0 0 491.455 4.818 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3cccnc3)C(C)C)cc2)c1 ZINC001445288205 1066553901 /nfs/dbraw/zinc/55/39/01/1066553901.db2.gz NJKMIDQDYOQPCV-HSZRJFAPSA-N 0 0 451.592 4.669 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c(C)c1 ZINC001456279096 1066554497 /nfs/dbraw/zinc/55/44/97/1066554497.db2.gz SJISNZGUDSBNJR-UHFFFAOYSA-N 0 0 450.516 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCN2CCOC(C)(C)C2)cc1Br ZINC001361218302 1066554646 /nfs/dbraw/zinc/55/46/46/1066554646.db2.gz LPRYHORZACIVFQ-OAQYLSRUSA-N 0 0 490.490 4.752 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545973391 1066555029 /nfs/dbraw/zinc/55/50/29/1066555029.db2.gz YHQFEWUJDIRTQB-GMAHTHKFSA-N 0 0 476.625 4.712 20 0 JJADRN CN(C)c1ccnc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)c1 ZINC001456285419 1066555274 /nfs/dbraw/zinc/55/52/74/1066555274.db2.gz SUDQQCIODHEQAQ-UHFFFAOYSA-N 0 0 457.431 4.550 20 0 JJADRN CC[C@H](C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Br)cc1 ZINC001456285668 1066555351 /nfs/dbraw/zinc/55/53/51/1066555351.db2.gz UJHTWTKCPNXXAJ-SJORKVTESA-N 0 0 453.327 4.939 20 0 JJADRN CC[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Br)cc1 ZINC001456285660 1066555649 /nfs/dbraw/zinc/55/56/49/1066555649.db2.gz UJHTWTKCPNXXAJ-IAGOWNOFSA-N 0 0 453.327 4.939 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCSCC(F)(F)F)cc1Br ZINC001361219053 1066555896 /nfs/dbraw/zinc/55/58/96/1066555896.db2.gz ZUOACAGHHRYDSW-CQSZACIVSA-N 0 0 493.393 4.927 20 0 JJADRN O=C(NC[C@@H]1CSCCS1)c1cccnc1SCc1ccc(Br)cc1 ZINC001445300635 1066556074 /nfs/dbraw/zinc/55/60/74/1066556074.db2.gz YYPJMDQTFWEAGD-OAHLLOKOSA-N 0 0 455.468 4.715 20 0 JJADRN CN(C)C(=O)C1(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)CCCC1 ZINC001456290556 1066556213 /nfs/dbraw/zinc/55/62/13/1066556213.db2.gz HDRBUNUINIFETM-UHFFFAOYSA-N 0 0 454.567 4.998 20 0 JJADRN CC[C@]1(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CCO1 ZINC001546081289 1066556280 /nfs/dbraw/zinc/55/62/80/1066556280.db2.gz MJVQCEKDPVXVSJ-XMMPIXPASA-N 0 0 462.038 4.549 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545973752 1066556795 /nfs/dbraw/zinc/55/67/95/1066556795.db2.gz HAOCFUHWBXVOHX-RTWAWAEBSA-N 0 0 458.331 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361219818 1066556737 /nfs/dbraw/zinc/55/67/37/1066556737.db2.gz RBDNYAKCGNSTJC-ROUUACIJSA-N 0 0 467.536 4.520 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC2(C)CCCC2)cc1Br ZINC001361219823 1066556940 /nfs/dbraw/zinc/55/69/40/1066556940.db2.gz RHOPXUXTNVMOQA-UHFFFAOYSA-N 0 0 488.474 4.901 20 0 JJADRN CC[C@@H](NC(=O)CN(CC)C(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC001445328032 1066557203 /nfs/dbraw/zinc/55/72/03/1066557203.db2.gz MQSMQMPZNLHHAB-RUZDIDTESA-N 0 0 450.579 4.579 20 0 JJADRN Cc1nc(-c2ccc(C)c(NC(=O)c3cc(Br)sc3Br)c2)n[nH]1 ZINC001445323538 1066557228 /nfs/dbraw/zinc/55/72/28/1066557228.db2.gz KMOACSIIQGFICU-UHFFFAOYSA-N 0 0 456.163 4.927 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001445331124 1066557860 /nfs/dbraw/zinc/55/78/60/1066557860.db2.gz RCIZYSSMSABRSQ-DLBZAZTESA-N 0 0 450.542 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCc2ccc(F)cc2)o1 ZINC001361220718 1066557874 /nfs/dbraw/zinc/55/78/74/1066557874.db2.gz BFPLNPXWOBARKB-KRWDZBQOSA-N 0 0 469.561 4.674 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2ccc(Cl)cc2)o1 ZINC001361220783 1066558539 /nfs/dbraw/zinc/55/85/39/1066558539.db2.gz DKKHWUOSEHVDBW-MRXNPFEDSA-N 0 0 471.989 4.994 20 0 JJADRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCCC3CCN(CC(F)(F)F)CC3)cc2)no1 ZINC001445337629 1066558784 /nfs/dbraw/zinc/55/87/84/1066558784.db2.gz OPEPAPFYLMYGKU-UHFFFAOYSA-N 0 0 452.521 4.719 20 0 JJADRN CC(C)[C@@H](CNC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)Cc1ccc(Cl)cc1Cl ZINC001456303431 1066559052 /nfs/dbraw/zinc/55/90/52/1066559052.db2.gz PSUQKHHBPPOQOM-OAHLLOKOSA-N 0 0 454.398 4.927 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)c4ccsc4)CC3)n2CCCOCC(C)C)o1 ZINC001361220927 1066559083 /nfs/dbraw/zinc/55/90/83/1066559083.db2.gz IWKRTALIFITNKR-HXUWFJFHSA-N 0 0 457.644 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCCc2cccc(F)c2)o1 ZINC001361221202 1066559364 /nfs/dbraw/zinc/55/93/64/1066559364.db2.gz QHVXKYMUBQZXMP-QGZVFWFLSA-N 0 0 465.495 4.691 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCCc2cccc(F)c2)o1 ZINC001361221201 1066559505 /nfs/dbraw/zinc/55/95/05/1066559505.db2.gz QHVXKYMUBQZXMP-KRWDZBQOSA-N 0 0 465.495 4.691 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCOc2ccccc2C(C)C)o1 ZINC001361221089 1066559570 /nfs/dbraw/zinc/55/95/70/1066559570.db2.gz NFKFKQQWJPXMCO-UHFFFAOYSA-N 0 0 494.640 4.679 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001456304664 1066559737 /nfs/dbraw/zinc/55/97/37/1066559737.db2.gz DFDBDOBQJCXCLC-FQEVSTJZSA-N 0 0 450.966 4.713 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2Cc2ccc(Cl)cc2)o1 ZINC001361221264 1066560074 /nfs/dbraw/zinc/56/00/74/1066560074.db2.gz SQKQYHMHHUQGMK-OAHLLOKOSA-N 0 0 453.896 4.621 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1OCc1cscn1 ZINC001545974027 1066560176 /nfs/dbraw/zinc/56/01/76/1066560176.db2.gz NBIDPLSOBAAGOQ-LEWJYISDSA-N 0 0 456.539 4.598 20 0 JJADRN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)Cc1ccc(Br)cc1 ZINC001456314116 1066560542 /nfs/dbraw/zinc/56/05/42/1066560542.db2.gz ZMNQHMSPVQCKSG-UHFFFAOYSA-N 0 0 456.340 4.548 20 0 JJADRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001545974186 1066561023 /nfs/dbraw/zinc/56/10/23/1066561023.db2.gz QWSPMVCBLZOEFC-ICSRJNTNSA-N 0 0 450.348 4.860 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001545974045 1066561104 /nfs/dbraw/zinc/56/11/04/1066561104.db2.gz NLIAUOOQRBSHHG-UFPGJGBJSA-N 0 0 456.558 4.680 20 0 JJADRN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(C)c(Br)c1 ZINC001361223450 1066561409 /nfs/dbraw/zinc/56/14/09/1066561409.db2.gz OPSDPSRHYDCLQW-UHFFFAOYSA-N 0 0 455.190 4.990 20 0 JJADRN C[C@@H]1CN(C(=O)CCOc2ccccc2I)c2cc(Cl)ccc2O1 ZINC001361223348 1066561613 /nfs/dbraw/zinc/56/16/13/1066561613.db2.gz LHAYMRXIVWPLOK-GFCCVEGCSA-N 0 0 457.695 4.528 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc(Cl)nc(N(C)C)c1)CCO2 ZINC001361223590 1066561626 /nfs/dbraw/zinc/56/16/26/1066561626.db2.gz RPFWRVGBPREGFO-NRFANRHFSA-N 0 0 451.954 4.976 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 ZINC001456316478 1066561683 /nfs/dbraw/zinc/56/16/83/1066561683.db2.gz HJYODTYCICCEKE-NDEPHWFRSA-N 0 0 457.349 4.691 20 0 JJADRN CCCc1ccc(CCCC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(CC)cc3)CC2)cc1 ZINC001456319634 1066561709 /nfs/dbraw/zinc/56/17/09/1066561709.db2.gz KSSYEZHHTYRVRB-QFIPXVFZSA-N 0 0 450.623 4.663 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC001456320033 1066561794 /nfs/dbraw/zinc/56/17/94/1066561794.db2.gz MJUUQYPYPRFXNY-HSZRJFAPSA-N 0 0 456.586 4.655 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001456320287 1066561869 /nfs/dbraw/zinc/56/18/69/1066561869.db2.gz PWAAQUKZPRQIDG-OAQYLSRUSA-N 0 0 453.583 4.945 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2Cc2ccco2)cc1Br ZINC001361224049 1066562036 /nfs/dbraw/zinc/56/20/36/1066562036.db2.gz HUIXPPBOGOSNQH-OAHLLOKOSA-N 0 0 498.347 4.730 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2F)o1 ZINC001361223928 1066562085 /nfs/dbraw/zinc/56/20/85/1066562085.db2.gz DGSNLHZPJAIJHH-RDJZCZTQSA-N 0 0 481.494 4.526 20 0 JJADRN Cc1ccc(SC2(C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CCCC2)cc1 ZINC001456320273 1066562136 /nfs/dbraw/zinc/56/21/36/1066562136.db2.gz HYSIHQXQXAJXOM-FQEVSTJZSA-N 0 0 459.633 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N[C@H]3CCSC(C)(C)C3)s2)CC1 ZINC001456322487 1066562346 /nfs/dbraw/zinc/56/23/46/1066562346.db2.gz MIHDIFMTJFFFBS-INIZCTEOSA-N 0 0 453.674 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2CCCSCC(C)C)o1 ZINC001361224094 1066562492 /nfs/dbraw/zinc/56/24/92/1066562492.db2.gz JEFGODIMWLZLFZ-UHFFFAOYSA-N 0 0 485.629 4.614 20 0 JJADRN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363890 1066562759 /nfs/dbraw/zinc/56/27/59/1066562759.db2.gz HJWQLISCYSWOMX-MBSDFSHPSA-N 0 0 450.608 4.975 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361224428 1066562950 /nfs/dbraw/zinc/56/29/50/1066562950.db2.gz UHNGIYHXMPHLGF-HNNXBMFYSA-N 0 0 467.923 4.815 20 0 JJADRN Cc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)nn1C1CCCCC1 ZINC001456328303 1066563161 /nfs/dbraw/zinc/56/31/61/1066563161.db2.gz IJYHADPDJGSLJY-GOSISDBHSA-N 0 0 459.432 4.978 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001456326023 1066563168 /nfs/dbraw/zinc/56/31/68/1066563168.db2.gz SIDMSXDARSJZCN-LJQANCHMSA-N 0 0 455.498 4.620 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001445367610 1066563285 /nfs/dbraw/zinc/56/32/85/1066563285.db2.gz QDKPVQTYHGPWSC-UHFFFAOYSA-N 0 0 450.420 4.818 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 ZINC001456330208 1066563710 /nfs/dbraw/zinc/56/37/10/1066563710.db2.gz BCKMDTWRGBGUKP-GOSISDBHSA-N 0 0 458.475 4.519 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N(C)[C@@H](C)C2(C)CC2)n1-c1ccccc1 ZINC001445374018 1066563865 /nfs/dbraw/zinc/56/38/65/1066563865.db2.gz WRCFYCRGWFDLFP-IBGZPJMESA-N 0 0 450.608 4.894 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1)CC(F)(F)F ZINC001445372646 1066563973 /nfs/dbraw/zinc/56/39/73/1066563973.db2.gz NWARCZBFKPECBD-INIZCTEOSA-N 0 0 452.904 4.917 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)ccc1F ZINC001456331420 1066564425 /nfs/dbraw/zinc/56/44/25/1066564425.db2.gz BVRKMYAILSWWKI-UHFFFAOYSA-N 0 0 451.539 4.644 20 0 JJADRN CCN(C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)C1)CC(F)(F)F ZINC001445374787 1066564422 /nfs/dbraw/zinc/56/44/22/1066564422.db2.gz XKFGZGFYRKJVDH-IBGZPJMESA-N 0 0 456.512 4.886 20 0 JJADRN CN(Cc1cc2ccccc2o1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001445374433 1066564438 /nfs/dbraw/zinc/56/44/38/1066564438.db2.gz GRAPOMUIFOWPET-UHFFFAOYSA-N 0 0 456.470 4.784 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ncc(C(C)(C)C)s3)ccc2Cl)C1 ZINC001361226583 1066564809 /nfs/dbraw/zinc/56/48/09/1066564809.db2.gz OMIFCCMVLJCUHM-ZDUSSCGKSA-N 0 0 456.033 4.767 20 0 JJADRN C[C@@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1c(F)cccc1Cl ZINC001445375493 1066564870 /nfs/dbraw/zinc/56/48/70/1066564870.db2.gz JIFJYKPISAWUHO-OAHLLOKOSA-N 0 0 459.974 4.859 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ncc(C(C)(C)C)s3)ccc2Cl)C1 ZINC001361226582 1066564988 /nfs/dbraw/zinc/56/49/88/1066564988.db2.gz OMIFCCMVLJCUHM-CYBMUJFWSA-N 0 0 456.033 4.767 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC001456335766 1066564922 /nfs/dbraw/zinc/56/49/22/1066564922.db2.gz VBGOJUBJFOAEKS-INIZCTEOSA-N 0 0 454.493 4.760 20 0 JJADRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001445378133 1066564946 /nfs/dbraw/zinc/56/49/46/1066564946.db2.gz OIZOISUXGJHLSX-NQIIRXRSSA-N 0 0 452.551 4.720 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001456338375 1066565482 /nfs/dbraw/zinc/56/54/82/1066565482.db2.gz ZLWJZMYUGMNBQV-ZDUSSCGKSA-N 0 0 455.755 4.769 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@](C)(O)CCC(C)C)cc1Br ZINC001361227574 1066565897 /nfs/dbraw/zinc/56/58/97/1066565897.db2.gz QCGQCMKAFPVQGO-HSZRJFAPSA-N 0 0 479.463 4.818 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(CC)nc(C)n2)c1 ZINC001456342354 1066565949 /nfs/dbraw/zinc/56/59/49/1066565949.db2.gz QWLQVEIYBUGAME-UHFFFAOYSA-N 0 0 452.580 4.595 20 0 JJADRN COc1cccc([C@H](NC(=O)Cc2c[nH]c3cnc(Cl)cc23)c2cc(F)ccc2OC)c1 ZINC001445389674 1066565974 /nfs/dbraw/zinc/56/59/74/1066565974.db2.gz IEYHCRXJXXHGMG-DEOSSOPVSA-N 0 0 453.901 4.821 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1Br ZINC001361227285 1066566012 /nfs/dbraw/zinc/56/60/12/1066566012.db2.gz JRIBJAVIYICVON-ZWKOTPCHSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@H]2CCO[C@@H](C)C2)cc1Br ZINC001361227284 1066566097 /nfs/dbraw/zinc/56/60/97/1066566097.db2.gz JRIBJAVIYICVON-ROUUACIJSA-N 0 0 477.447 4.836 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cccc2c1oc(=O)n2C ZINC001456343075 1066566401 /nfs/dbraw/zinc/56/64/01/1066566401.db2.gz PNNKGTYMSORYBX-UHFFFAOYSA-N 0 0 452.850 4.616 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)Oc1cccc(C(F)(F)F)c1 ZINC001445396199 1066566643 /nfs/dbraw/zinc/56/66/43/1066566643.db2.gz WFHHELZZOGMGFM-UKRRQHHQSA-N 0 0 454.436 4.528 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2Cc2cccc(Br)n2)o1 ZINC001361227741 1066566592 /nfs/dbraw/zinc/56/65/92/1066566592.db2.gz URFAVZNMUUGDJR-QFIPXVFZSA-N 0 0 474.403 4.694 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361227660 1066566640 /nfs/dbraw/zinc/56/66/40/1066566640.db2.gz SCRXADIVPHABGH-DSKINZAPSA-N 0 0 487.645 4.743 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCCn2cc(Br)cn2)o1 ZINC001361227675 1066566676 /nfs/dbraw/zinc/56/66/76/1066566676.db2.gz SFNDXGBGBQKQMM-IBGZPJMESA-N 0 0 491.434 4.537 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)c1cc(Br)nc(Br)c1 ZINC001361228318 1066566962 /nfs/dbraw/zinc/56/69/62/1066566962.db2.gz OSCDCCHRPUFNRJ-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CNC(=O)[C@@H](C)CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC)cc1 ZINC001445401372 1066566965 /nfs/dbraw/zinc/56/69/65/1066566965.db2.gz GPNFGUUYJTTXPR-CSRGTXSUSA-N 0 0 457.574 4.574 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCc2cnc(-c3ccccc3)s2)cc1 ZINC001361228231 1066566991 /nfs/dbraw/zinc/56/69/91/1066566991.db2.gz KOONXSSYHYXYKL-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1OCc1cccnc1 ZINC001445401076 1066567136 /nfs/dbraw/zinc/56/71/36/1066567136.db2.gz GHIDEZGPUUSSCZ-HYHKQLJDSA-N 0 0 452.576 4.630 20 0 JJADRN CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OCc1cccnc1 ZINC001445401085 1066567171 /nfs/dbraw/zinc/56/71/71/1066567171.db2.gz GHIDEZGPUUSSCZ-UPTQXZAWSA-N 0 0 452.576 4.630 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)[nH]n2)c1C ZINC001445406296 1066567469 /nfs/dbraw/zinc/56/74/69/1066567469.db2.gz UWDVURVUMMSTOU-UGSOOPFHSA-N 0 0 457.962 4.549 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4F)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361228755 1066567552 /nfs/dbraw/zinc/56/75/52/1066567552.db2.gz DPPXEMDYPMEFTP-HTAPYJJXSA-N 0 0 499.587 4.819 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4F)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361228758 1066567638 /nfs/dbraw/zinc/56/76/38/1066567638.db2.gz DPPXEMDYPMEFTP-VGSWGCGISA-N 0 0 499.587 4.819 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)Cc1ccccn1 ZINC001445407970 1066567564 /nfs/dbraw/zinc/56/75/64/1066567564.db2.gz CGXOWJGZXNTTFN-FQEVSTJZSA-N 0 0 457.574 4.995 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cc(C)n(C4CCCCC4)c3C)C2=O)c1 ZINC001445406504 1066567705 /nfs/dbraw/zinc/56/77/05/1066567705.db2.gz XMNCTTDINZYNJE-DEOSSOPVSA-N 0 0 453.583 4.505 20 0 JJADRN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)[nH]n2)c1C ZINC001445406290 1066567725 /nfs/dbraw/zinc/56/77/25/1066567725.db2.gz UWDVURVUMMSTOU-ACJLOTCBSA-N 0 0 457.962 4.549 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001456353100 1066568211 /nfs/dbraw/zinc/56/82/11/1066568211.db2.gz SCSBEHINWVOUNS-UTKZUKDTSA-N 0 0 452.576 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4Br)C3)n2C[C@](C)(O)C(C)C)o1 ZINC001361228910 1066568291 /nfs/dbraw/zinc/56/82/91/1066568291.db2.gz IPECJNRBOLEOSD-OFNKIYASSA-N 0 0 489.414 4.594 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2nccc3cccnc32)c2ccccc2F)CC1 ZINC001456354600 1066568401 /nfs/dbraw/zinc/56/84/01/1066568401.db2.gz FLZASZCRZITECD-UHFFFAOYSA-N 0 0 450.514 4.815 20 0 JJADRN O=C(Nc1ccc(Br)c(F)c1)c1cc(I)c(F)cc1F ZINC001456355837 1066568898 /nfs/dbraw/zinc/56/88/98/1066568898.db2.gz XNZRSNJUKGWBQX-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cl)c1SCC(F)F ZINC001456355232 1066568921 /nfs/dbraw/zinc/56/89/21/1066568921.db2.gz ARKRPOQFPHVXKB-UHFFFAOYSA-N 0 0 459.967 4.988 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCC2(F)CCC2)cc1Br ZINC001361229639 1066569185 /nfs/dbraw/zinc/56/91/85/1066569185.db2.gz UDGKEKBJQGFFHJ-LJQANCHMSA-N 0 0 495.437 4.929 20 0 JJADRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001456358995 1066569241 /nfs/dbraw/zinc/56/92/41/1066569241.db2.gz KAVVPBFWMJUMHV-ITIOGAGCSA-N 0 0 458.990 4.803 20 0 JJADRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001445420610 1066569300 /nfs/dbraw/zinc/56/93/00/1066569300.db2.gz IIWCVCAVIFAFJO-GOSISDBHSA-N 0 0 459.455 4.993 20 0 JJADRN CC1(C)CN(C(=O)[C@H]2CCOc3c(F)cccc32)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359108 1066569468 /nfs/dbraw/zinc/56/94/68/1066569468.db2.gz KOVBOSJKRGMHRO-GHTZIAJQSA-N 0 0 459.638 4.810 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001546081755 1066569492 /nfs/dbraw/zinc/56/94/92/1066569492.db2.gz WECIJPMZNPRKOD-IGCHPXFFSA-N 0 0 484.975 4.932 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001445426285 1066569844 /nfs/dbraw/zinc/56/98/44/1066569844.db2.gz MCDITXSXBAVUNT-LSDHHAIUSA-N 0 0 457.983 4.948 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)N(C)C[C@H](O)COc3ccccc3C(F)(F)F)s2)o1 ZINC001445426402 1066570012 /nfs/dbraw/zinc/57/00/12/1066570012.db2.gz ONTSZFDTAHIRBN-AWEZNQCLSA-N 0 0 454.470 4.551 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC001361230787 1066569990 /nfs/dbraw/zinc/56/99/90/1066569990.db2.gz CALCESXRHSLIAJ-FUHWJXTLSA-N 0 0 479.488 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@](C)(O)c2ccco2)cc1Br ZINC001361230804 1066570008 /nfs/dbraw/zinc/57/00/08/1066570008.db2.gz CLPZDEQTBQISAC-QFIPXVFZSA-N 0 0 491.455 4.849 20 0 JJADRN CN(Cc1ccccc1NC(=O)CCc1nnc(C(F)F)o1)C(=O)c1cc2ccccc2o1 ZINC001456360311 1066570292 /nfs/dbraw/zinc/57/02/92/1066570292.db2.gz UTCLDPZKZOWIIH-UHFFFAOYSA-N 0 0 454.433 4.597 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCc2ccc(Br)s2)o1 ZINC001361230968 1066570601 /nfs/dbraw/zinc/57/06/01/1066570601.db2.gz HRKISMOFNHSTTP-CYBMUJFWSA-N 0 0 453.431 4.855 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)nc1C(C)(C)C ZINC001445433379 1066570904 /nfs/dbraw/zinc/57/09/04/1066570904.db2.gz HIOJEEDAWYBDRD-CYBMUJFWSA-N 0 0 455.621 4.837 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2Cc2ccc(F)cn2)cc1Br ZINC001361231277 1066570944 /nfs/dbraw/zinc/57/09/44/1066570944.db2.gz PQVRRCLLBOVMCU-AWEZNQCLSA-N 0 0 462.392 4.540 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC2([S@](C)=O)CCC2)cc1Br ZINC001361231160 1066570969 /nfs/dbraw/zinc/57/09/69/1066570969.db2.gz MTOCJNYDMWEHFP-AJXXGZDZSA-N 0 0 497.528 4.647 20 0 JJADRN COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(Oc3ccccc3C(F)(F)F)nc1)C2 ZINC001456362883 1066571150 /nfs/dbraw/zinc/57/11/50/1066571150.db2.gz UIJBJGVLTJUPHN-KRWDZBQOSA-N 0 0 458.436 4.769 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001456362647 1066571226 /nfs/dbraw/zinc/57/12/26/1066571226.db2.gz KTUPVDTZPVIYGZ-CQSZACIVSA-N 0 0 453.391 4.894 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2[C@H]2C[C@H]2C)cc1Br ZINC001361231403 1066571446 /nfs/dbraw/zinc/57/14/46/1066571446.db2.gz ATXDICOOTGVSMP-HFTRVMKXSA-N 0 0 476.419 4.700 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)[C@H](CC)CN1C(C)=O ZINC001361231353 1066571470 /nfs/dbraw/zinc/57/14/70/1066571470.db2.gz ATROPCJTEVSSOQ-IAGOWNOFSA-N 0 0 459.015 4.910 20 0 JJADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC001361231352 1066571493 /nfs/dbraw/zinc/57/14/93/1066571493.db2.gz ATROPCJTEVSSOQ-DLBZAZTESA-N 0 0 459.015 4.910 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC001445439996 1066571389 /nfs/dbraw/zinc/57/13/89/1066571389.db2.gz XFADXHGVSPHYRD-UHFFFAOYSA-N 0 0 458.183 4.623 20 0 JJADRN C[C@H](NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438013 1066571575 /nfs/dbraw/zinc/57/15/75/1066571575.db2.gz GHUAXOSTSDVLMP-XBCBRRGRSA-N 0 0 460.962 4.747 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231727 1066571906 /nfs/dbraw/zinc/57/19/06/1066571906.db2.gz SYEKGLDSJSQPEH-IRXDYDNUSA-N 0 0 472.456 4.984 20 0 JJADRN O=C(Nc1ccc(I)cn1)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001456364504 1066572024 /nfs/dbraw/zinc/57/20/24/1066572024.db2.gz ZMQCYZCJNMOKHF-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1OC ZINC001456364461 1066572149 /nfs/dbraw/zinc/57/21/49/1066572149.db2.gz PKVAZRDEHLVSMD-OAQYLSRUSA-N 0 0 453.004 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCO[C@H]2CCCC[C@@H]2C)cc1Br ZINC001361231820 1066572280 /nfs/dbraw/zinc/57/22/80/1066572280.db2.gz GJHXEYWQYUAFIA-KSCDAYEDSA-N 0 0 491.474 4.818 20 0 JJADRN COc1ccc(C[C@H]2CCN2C(=O)[C@@H]2Cc3c(cc(C)cc3F)N2C(=O)OC(C)(C)C)cc1 ZINC001445454182 1066572557 /nfs/dbraw/zinc/57/25/57/1066572557.db2.gz GUQBLACCPVFCAS-JPYJTQIMSA-N 0 0 454.542 4.653 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCSCc2ccccc2)o1 ZINC001361232174 1066572867 /nfs/dbraw/zinc/57/28/67/1066572867.db2.gz NGWBDUKDCNKVQX-FQEVSTJZSA-N 0 0 483.638 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCC2CCN(CC(F)(F)F)CC2)o1 ZINC001361232385 1066572920 /nfs/dbraw/zinc/57/29/20/1066572920.db2.gz ZLVSXPPCUXVWAB-SJORKVTESA-N 0 0 471.593 4.841 20 0 JJADRN CC(C)(C)OC(=O)CC(C)(C)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001456372956 1066573082 /nfs/dbraw/zinc/57/30/82/1066573082.db2.gz PDIYIMUOUJIDQK-UHFFFAOYSA-N 0 0 453.402 4.742 20 0 JJADRN CC(C)CC1CCN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001445455173 1066573163 /nfs/dbraw/zinc/57/31/63/1066573163.db2.gz ZXZHZWPVJNMQGV-KDURUIRLSA-N 0 0 456.656 4.620 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCCC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545975365 1066573202 /nfs/dbraw/zinc/57/32/02/1066573202.db2.gz QJPWWXKHIJBLMD-LJQANCHMSA-N 0 0 474.650 4.608 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)c3cc(Cl)cc(Cl)c3N)ccc2[nH]1 ZINC001456374477 1066573162 /nfs/dbraw/zinc/57/31/62/1066573162.db2.gz QJACWCZCHQAHPX-UHFFFAOYSA-N 0 0 450.326 4.729 20 0 JJADRN Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc2[nH]c(CNC(=O)OC(C)(C)C)nc2c1 ZINC001456371056 1066573204 /nfs/dbraw/zinc/57/32/04/1066573204.db2.gz HLSZOIXEGLELGV-UHFFFAOYSA-N 0 0 450.326 4.850 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cn3c(Br)cnc3s2)cc1 ZINC001456373686 1066573305 /nfs/dbraw/zinc/57/33/05/1066573305.db2.gz REBHMKYYTUGSSC-UHFFFAOYSA-N 0 0 450.402 4.898 20 0 JJADRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001445463603 1066573690 /nfs/dbraw/zinc/57/36/90/1066573690.db2.gz MVFHDWMNKIZPFT-AWEZNQCLSA-N 0 0 454.489 4.606 20 0 JJADRN CCOc1ccccc1C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001361233216 1066573808 /nfs/dbraw/zinc/57/38/08/1066573808.db2.gz FUWIWZYFMHBJMV-UHFFFAOYSA-N 0 0 457.290 4.829 20 0 JJADRN C[C@H](C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)n1ccc(C(F)(F)F)n1 ZINC001445463936 1066574175 /nfs/dbraw/zinc/57/41/75/1066574175.db2.gz QJFKDSULSCVXGN-GFCCVEGCSA-N 0 0 450.288 4.978 20 0 JJADRN Cc1cc([C@H]2CCCCN2C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)[nH]n1 ZINC001456380949 1066574296 /nfs/dbraw/zinc/57/42/96/1066574296.db2.gz IPROUZJDLXMYSJ-JTHBVZDNSA-N 0 0 450.970 4.987 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc(Cl)n1 ZINC001456383022 1066574458 /nfs/dbraw/zinc/57/44/58/1066574458.db2.gz WUZAIYXKTKYCCZ-MRXNPFEDSA-N 0 0 451.901 4.559 20 0 JJADRN COc1ccc(C[C@H]2CCN2C(=O)c2c(F)ccc(I)c2Cl)cc1 ZINC001445466905 1066574542 /nfs/dbraw/zinc/57/45/42/1066574542.db2.gz SXDQFMJDKKEIFF-GFCCVEGCSA-N 0 0 459.686 4.550 20 0 JJADRN Nc1c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cnn1Cc1ccccc1 ZINC001445466947 1066574552 /nfs/dbraw/zinc/57/45/52/1066574552.db2.gz UCCKAJRCOHVXFA-UHFFFAOYSA-N 0 0 459.377 4.642 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1)C2=O ZINC001361234749 1066574777 /nfs/dbraw/zinc/57/47/77/1066574777.db2.gz OEWHFQVSJWPJEU-NKSBRDNVSA-N 0 0 457.615 4.805 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(F)F)c2)o1 ZINC001361234302 1066574790 /nfs/dbraw/zinc/57/47/90/1066574790.db2.gz MVZGCVSQEWUHKR-LJQANCHMSA-N 0 0 457.525 4.819 20 0 JJADRN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(OC)cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545975533 1066575547 /nfs/dbraw/zinc/57/55/47/1066575547.db2.gz UEOGVNMQYDCCDQ-LJQANCHMSA-N 0 0 480.613 4.754 20 0 JJADRN C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456388732 1066575516 /nfs/dbraw/zinc/57/55/16/1066575516.db2.gz AEGWFSAYNYCRCF-KBPBESRZSA-N 0 0 453.370 4.649 20 0 JJADRN Cc1cc(C)cc(C[C@H](C)NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC001361235449 1066575737 /nfs/dbraw/zinc/57/57/37/1066575737.db2.gz SZWHHUBECCUVEG-FQEVSTJZSA-N 0 0 457.603 4.786 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cnn1-c1cccc(Br)c1 ZINC001445478002 1066576035 /nfs/dbraw/zinc/57/60/35/1066576035.db2.gz MLQGKARDTPLETA-LJQANCHMSA-N 0 0 452.352 4.821 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456390950 1066576009 /nfs/dbraw/zinc/57/60/09/1066576009.db2.gz CONMBQNGZHYMIY-QYZOEREBSA-N 0 0 453.583 4.701 20 0 JJADRN COc1ccc(-c2nc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)cs2)cc1OC ZINC001456390484 1066576124 /nfs/dbraw/zinc/57/61/24/1066576124.db2.gz PWKMEMQATOIKLM-UHFFFAOYSA-N 0 0 450.472 4.892 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(Br)s3)n2CCOCCCO)cc1 ZINC001361235974 1066576136 /nfs/dbraw/zinc/57/61/36/1066576136.db2.gz BRVAOUOFRBBQHD-SFHVURJKSA-N 0 0 491.455 4.818 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)C)n2)cc1 ZINC001361235780 1066576245 /nfs/dbraw/zinc/57/62/45/1066576245.db2.gz ZJUNGOYWOXSKHE-OAQYLSRUSA-N 0 0 466.655 4.889 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001361235757 1066576299 /nfs/dbraw/zinc/57/62/99/1066576299.db2.gz YZNOGLFUJHANFB-RNQOJCNYSA-N 0 0 499.603 4.832 20 0 JJADRN CC1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccccc3)cc2)CC1 ZINC001456391849 1066576523 /nfs/dbraw/zinc/57/65/23/1066576523.db2.gz QKIXZFMLKPRDKL-MHZLTWQESA-N 0 0 455.602 4.927 20 0 JJADRN O=C(C1=Cc2ccccc2O[C@H]1C(F)(F)F)N1CC(Cc2ccccc2OC(F)(F)F)C1 ZINC001445486376 1066576808 /nfs/dbraw/zinc/57/68/08/1066576808.db2.gz YWRCOMVMTVYVRP-LJQANCHMSA-N 0 0 457.370 4.993 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)C(C)(C)C1(C)C ZINC001445486870 1066576863 /nfs/dbraw/zinc/57/68/63/1066576863.db2.gz RSXJNVAFSNTVIO-UHFFFAOYSA-N 0 0 455.517 4.980 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001361236871 1066577287 /nfs/dbraw/zinc/57/72/87/1066577287.db2.gz LFUBRMIMXYTHPP-BJKOFHAPSA-N 0 0 483.657 4.804 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)NCc1nccn1CCCc1ccccc1 ZINC001445488672 1066577293 /nfs/dbraw/zinc/57/72/93/1066577293.db2.gz JGHKZEBNJKKXCD-UHFFFAOYSA-N 0 0 458.425 4.995 20 0 JJADRN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001456394556 1066577672 /nfs/dbraw/zinc/57/76/72/1066577672.db2.gz XCBOTEYVQKFQMU-WJOKGBTCSA-N 0 0 451.573 4.818 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(CSc3ccc(Cl)cc3)n2CCS(C)(=O)=O)o1 ZINC001361237319 1066577722 /nfs/dbraw/zinc/57/77/22/1066577722.db2.gz NWFAZUXAQIRGBD-GOSISDBHSA-N 0 0 481.043 4.511 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001361237327 1066578087 /nfs/dbraw/zinc/57/80/87/1066578087.db2.gz OALPWOIUFQPHNJ-JOCHJYFZSA-N 0 0 462.598 4.905 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(Br)c(Cl)cc1OC)O[C@@H](C)C2 ZINC001361237489 1066578099 /nfs/dbraw/zinc/57/80/99/1066578099.db2.gz JAHOBVKWUZWLDD-NSHDSACASA-N 0 0 454.748 4.763 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccccn3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001361237328 1066578217 /nfs/dbraw/zinc/57/82/17/1066578217.db2.gz OALPWOIUFQPHNJ-QFIPXVFZSA-N 0 0 462.598 4.905 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCC(C)C)o1 ZINC001361237632 1066578257 /nfs/dbraw/zinc/57/82/57/1066578257.db2.gz QPZFUVRMPVSUMH-UQBPGWFLSA-N 0 0 485.654 4.700 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456396614 1066578156 /nfs/dbraw/zinc/57/81/56/1066578156.db2.gz ITBAREBMHCFFLX-KFWWJZLASA-N 0 0 457.434 4.786 20 0 JJADRN Cc1cccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1I ZINC001456395857 1066578208 /nfs/dbraw/zinc/57/82/08/1066578208.db2.gz QFTNAGXVUJIAIH-XMMPIXPASA-N 0 0 455.361 4.899 20 0 JJADRN O=C(c1cc(Br)cnc1Br)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC001445502271 1066578272 /nfs/dbraw/zinc/57/82/72/1066578272.db2.gz JIWYOODPCZOEMU-DZGCQCFKSA-N 0 0 458.194 4.751 20 0 JJADRN CCOc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)ccc1OCc1cccnc1 ZINC001445503266 1066578382 /nfs/dbraw/zinc/57/83/82/1066578382.db2.gz ZMPJFRYHWLHJHP-UHFFFAOYSA-N 0 0 451.470 4.807 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc[nH]3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361237722 1066578673 /nfs/dbraw/zinc/57/86/73/1066578673.db2.gz RVXCFAJLVGAWAO-LJQANCHMSA-N 0 0 454.575 4.821 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(Cl)ccc1I ZINC001456398642 1066578598 /nfs/dbraw/zinc/57/85/98/1066578598.db2.gz VNKNDNBFGDLGTJ-SFHVURJKSA-N 0 0 455.723 4.842 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](CNC(=O)c4ccccc4)C3)cc2c1Br ZINC001445506650 1066578864 /nfs/dbraw/zinc/57/88/64/1066578864.db2.gz NRKYYFASDLHYDG-INIZCTEOSA-N 0 0 454.368 4.521 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361238308 1066578771 /nfs/dbraw/zinc/57/87/71/1066578771.db2.gz UYJVLRYBCCPRGE-QGZVFWFLSA-N 0 0 456.978 4.541 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)o1 ZINC001361238385 1066579101 /nfs/dbraw/zinc/57/91/01/1066579101.db2.gz WCGYIFYALILMDR-HNNXBMFYSA-N 0 0 467.517 4.855 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 ZINC001361238338 1066579207 /nfs/dbraw/zinc/57/92/07/1066579207.db2.gz VIVKQINAWFPOIY-NZQKXSOJSA-N 0 0 497.043 4.577 20 0 JJADRN C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456405816 1066579661 /nfs/dbraw/zinc/57/96/61/1066579661.db2.gz WCDUJYRXHTXIJD-KDURUIRLSA-N 0 0 452.599 4.746 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)o1 ZINC001361238799 1066579812 /nfs/dbraw/zinc/57/98/12/1066579812.db2.gz XTJOSHGZGBMILC-OALUTQOASA-N 0 0 473.618 4.754 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC001445516485 1066579711 /nfs/dbraw/zinc/57/97/11/1066579711.db2.gz PJXUJAQQLSONFB-UHFFFAOYSA-N 0 0 456.542 4.923 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361238736 1066579888 /nfs/dbraw/zinc/57/98/88/1066579888.db2.gz XQGQECSURUEAED-QUCCMNQESA-N 0 0 459.591 4.630 20 0 JJADRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001456409105 1066580260 /nfs/dbraw/zinc/58/02/60/1066580260.db2.gz JJBKHZXIKVPDCC-HNNXBMFYSA-N 0 0 453.486 4.779 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545976008 1066580211 /nfs/dbraw/zinc/58/02/11/1066580211.db2.gz DQPRFNLVVOKWKP-OAQYLSRUSA-N 0 0 450.510 4.656 20 0 JJADRN CC(C)c1csc(CNC(=O)c2cccn2-c2cccc(I)c2)n1 ZINC001445520836 1066580257 /nfs/dbraw/zinc/58/02/57/1066580257.db2.gz RRSIBDSIBAQJAB-UHFFFAOYSA-N 0 0 451.333 4.592 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361238863 1066580333 /nfs/dbraw/zinc/58/03/33/1066580333.db2.gz YOLRWXAPHRDONY-MSOLQXFVSA-N 0 0 453.553 4.994 20 0 JJADRN COc1cccc(C=C2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC2)c1 ZINC001445520444 1066580447 /nfs/dbraw/zinc/58/04/47/1066580447.db2.gz YFMIZTLQXUWWEP-UHFFFAOYSA-N 0 0 452.352 4.963 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)=NN1c1ccccc1 ZINC001361238993 1066580815 /nfs/dbraw/zinc/58/08/15/1066580815.db2.gz UFYAYTZIVDLCPK-DCFHFQCYSA-N 0 0 455.558 4.975 20 0 JJADRN COc1cc(F)c(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(F)c1 ZINC001456410470 1066580890 /nfs/dbraw/zinc/58/08/90/1066580890.db2.gz KOVBRHUEGYJSFR-UHFFFAOYSA-N 0 0 453.232 4.575 20 0 JJADRN CC(=O)c1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c(C)nc1C ZINC001456415809 1066581330 /nfs/dbraw/zinc/58/13/30/1066581330.db2.gz XIJLGHWIPSCLEP-UHFFFAOYSA-N 0 0 458.305 4.502 20 0 JJADRN O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456415897 1066581406 /nfs/dbraw/zinc/58/14/06/1066581406.db2.gz XKEOYBABWCZWQV-NWDGAFQWSA-N 0 0 450.280 4.796 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001361239514 1066581232 /nfs/dbraw/zinc/58/12/32/1066581232.db2.gz HMNYAEVZSOWZAK-NOOIUNMQSA-N 0 0 481.685 4.646 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001445523755 1066581333 /nfs/dbraw/zinc/58/13/33/1066581333.db2.gz GLENVYOECVGDRP-NQIIRXRSSA-N 0 0 454.571 4.617 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc3cc(Br)ccc3c2)C1(F)F ZINC001445524536 1066581516 /nfs/dbraw/zinc/58/15/16/1066581516.db2.gz IPLWQVXVWGNZEL-HZPDHXFCSA-N 0 0 455.299 4.947 20 0 JJADRN CCc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c(C(=O)OC)c1 ZINC001456415229 1066581450 /nfs/dbraw/zinc/58/14/50/1066581450.db2.gz VEGHXEDXXSJTPX-UHFFFAOYSA-N 0 0 450.495 4.736 20 0 JJADRN Cc1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 ZINC001361239946 1066581806 /nfs/dbraw/zinc/58/18/06/1066581806.db2.gz LQLUEHWCYRRYGH-IRXDYDNUSA-N 0 0 474.472 4.927 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)C2=O)cc1 ZINC001361239793 1066581847 /nfs/dbraw/zinc/58/18/47/1066581847.db2.gz DAKIGLICKLFKQR-SFHVURJKSA-N 0 0 458.484 4.870 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC001445526688 1066581862 /nfs/dbraw/zinc/58/18/62/1066581862.db2.gz MLZIBPGSLTXJHS-CVDCTZTESA-N 0 0 450.501 4.968 20 0 JJADRN Cc1ccc(CCn2c(C(C)C)nnc2N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1 ZINC001361240532 1066582126 /nfs/dbraw/zinc/58/21/26/1066582126.db2.gz SMZFWESDWLPTNS-UHFFFAOYSA-N 0 0 451.659 4.926 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c([C@H]3CCC(=O)N3)nnc2N(CC(C)C)C(C)C)cc1 ZINC001361240111 1066582223 /nfs/dbraw/zinc/58/22/23/1066582223.db2.gz NHMSTMNGDKHUEO-AKFKNWHVSA-N 0 0 453.631 4.576 20 0 JJADRN Cn1cnc(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1Br ZINC001456425777 1066582398 /nfs/dbraw/zinc/58/23/98/1066582398.db2.gz UASDWXWZUYKISJ-UHFFFAOYSA-N 0 0 453.315 4.509 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001456426024 1066582410 /nfs/dbraw/zinc/58/24/10/1066582410.db2.gz DCSYJKYIUHXODT-YTTGMZPUSA-N 0 0 458.534 4.715 20 0 JJADRN Cc1ccc(F)cc1C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001456424237 1066582543 /nfs/dbraw/zinc/58/25/43/1066582543.db2.gz QHXBJVXCFATOOE-UHFFFAOYSA-N 0 0 454.542 4.939 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCN(CCOC(C)C)CC2)cc1 ZINC001361240939 1066582663 /nfs/dbraw/zinc/58/26/63/1066582663.db2.gz ZCSJWZZWWCPNKW-VPUSJEBWSA-N 0 0 497.728 4.890 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)n1 ZINC001445526553 1066582686 /nfs/dbraw/zinc/58/26/86/1066582686.db2.gz SKJOUKAFRJINNX-UHFFFAOYSA-N 0 0 451.592 4.727 20 0 JJADRN Cc1ccc(N2CCC[C@H](NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)C2=O)cc1 ZINC001361240985 1066582798 /nfs/dbraw/zinc/58/27/98/1066582798.db2.gz UBVLAKJTZOOHLP-FQEVSTJZSA-N 0 0 451.567 4.847 20 0 JJADRN Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001361241379 1066583145 /nfs/dbraw/zinc/58/31/45/1066583145.db2.gz CBTSNKHKTDETLQ-LJQANCHMSA-N 0 0 497.043 4.990 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361241602 1066583281 /nfs/dbraw/zinc/58/32/81/1066583281.db2.gz JVOOKKMPFQQPRS-JOCHJYFZSA-N 0 0 476.625 4.693 20 0 JJADRN Cc1ccc(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CCNC(=O)C(C)C)cc1 ZINC001361241886 1066583616 /nfs/dbraw/zinc/58/36/16/1066583616.db2.gz SBDWWFBVTZZELJ-FQEVSTJZSA-N 0 0 479.694 4.891 20 0 JJADRN Cc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001361241757 1066583690 /nfs/dbraw/zinc/58/36/90/1066583690.db2.gz OFGGHGBTTUAHLI-OAQYLSRUSA-N 0 0 476.625 4.645 20 0 JJADRN Cc1ccc(CCn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1 ZINC001361241765 1066583771 /nfs/dbraw/zinc/58/37/71/1066583771.db2.gz ONHDTJNYQYMQQO-OAQYLSRUSA-N 0 0 476.625 4.645 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)NCc2ccc(Oc3ccccc3OC)cc2)c1=O ZINC001456432792 1066583910 /nfs/dbraw/zinc/58/39/10/1066583910.db2.gz RDDKBXCBLDODGP-UHFFFAOYSA-N 0 0 459.546 4.720 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H]2CCCOC2)cc1 ZINC001361242585 1066584076 /nfs/dbraw/zinc/58/40/76/1066584076.db2.gz AUYKTIRMGUMPNH-ZEQRLZLVSA-N 0 0 497.684 4.807 20 0 JJADRN Cc1ccc(CCn2c(-c3cnccn3)nnc2N(C)Cc2csc(Br)c2)cc1 ZINC001361241998 1066584083 /nfs/dbraw/zinc/58/40/83/1066584083.db2.gz XSWRFAIWFKLFKB-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN Cc1ccc(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)c(C)c1 ZINC001361242647 1066584133 /nfs/dbraw/zinc/58/41/33/1066584133.db2.gz CKPWPIBAYOURFT-BJKOFHAPSA-N 0 0 497.684 4.928 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NC[C@@H](O)COc1cccc(C)c1)c(C)n2C1CCCCC1 ZINC001445533991 1066584209 /nfs/dbraw/zinc/58/42/09/1066584209.db2.gz MIFLGPLDMOZWGT-OAQYLSRUSA-N 0 0 450.579 4.942 20 0 JJADRN Cc1nc(CNC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)oc1-c1ccc(Cl)cc1 ZINC001445534140 1066584365 /nfs/dbraw/zinc/58/43/65/1066584365.db2.gz ADOOQDDUWUGHPK-IBGZPJMESA-N 0 0 451.954 4.898 20 0 JJADRN Cc1cc(-c2csc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)ccc1F ZINC001445532982 1066584426 /nfs/dbraw/zinc/58/44/26/1066584426.db2.gz SRAQJIXDVISNKQ-UHFFFAOYSA-N 0 0 450.944 4.856 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCCc1nc2c(s1)COCC2 ZINC001456433868 1066584470 /nfs/dbraw/zinc/58/44/70/1066584470.db2.gz VYXPYNPZESNPBN-UHFFFAOYSA-N 0 0 454.404 4.548 20 0 JJADRN Cc1ccc(CCn2c(C3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C)c1 ZINC001361243040 1066584626 /nfs/dbraw/zinc/58/46/26/1066584626.db2.gz HYTIYPWXACNAGE-QHCPKHFHSA-N 0 0 451.659 4.926 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445536571 1066584829 /nfs/dbraw/zinc/58/48/29/1066584829.db2.gz OZMPZWUYGSTZNO-NWDGAFQWSA-N 0 0 454.752 4.799 20 0 JJADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 ZINC001445536491 1066584843 /nfs/dbraw/zinc/58/48/43/1066584843.db2.gz ZYPDLCDJWIWRIW-NQIIRXRSSA-N 0 0 455.400 4.539 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243885 1066585644 /nfs/dbraw/zinc/58/56/44/1066585644.db2.gz WXORKKGFAXEEAT-DHIUTWEWSA-N 0 0 483.657 4.812 20 0 JJADRN Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1I ZINC001545976474 1066585642 /nfs/dbraw/zinc/58/56/42/1066585642.db2.gz PJFWYNYYEVWTNR-MRXNPFEDSA-N 0 0 451.279 4.616 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1Cl ZINC001456438666 1066585850 /nfs/dbraw/zinc/58/58/50/1066585850.db2.gz CYLLNOKGMRZVQC-UHFFFAOYSA-N 0 0 452.986 4.880 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NC[C@@H](C)Oc2cccc(F)c2)cc1 ZINC001361244212 1066585971 /nfs/dbraw/zinc/58/59/71/1066585971.db2.gz FYTMEKXSUBYJFL-LJQANCHMSA-N 0 0 459.521 4.813 20 0 JJADRN Cc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361243946 1066586115 /nfs/dbraw/zinc/58/61/15/1066586115.db2.gz YOYZQZXSUZVGIL-FGZHOGPDSA-N 0 0 469.630 4.516 20 0 JJADRN Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001445544826 1066586199 /nfs/dbraw/zinc/58/61/99/1066586199.db2.gz RTGIOJAOOAPKNU-HXUWFJFHSA-N 0 0 452.967 4.667 20 0 JJADRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC001445544750 1066586290 /nfs/dbraw/zinc/58/62/90/1066586290.db2.gz TZZBMXYUBXAOJP-NOZRDPDXSA-N 0 0 451.950 4.884 20 0 JJADRN Cc1ccc(CCn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1 ZINC001361245020 1066586551 /nfs/dbraw/zinc/58/65/51/1066586551.db2.gz BHBMFLQLGCPSPY-DEOSSOPVSA-N 0 0 465.686 4.859 20 0 JJADRN CC[C@@H](Cc1ccccc1)N(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC001361244363 1066586579 /nfs/dbraw/zinc/58/65/79/1066586579.db2.gz JOIOUPWLZXVSTR-QFIPXVFZSA-N 0 0 457.603 4.901 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](C(C)C)C3)c2)cc1 ZINC001445547845 1066586827 /nfs/dbraw/zinc/58/68/27/1066586827.db2.gz AKHRJPQOCBFWJE-INIZCTEOSA-N 0 0 450.988 4.658 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)NC[C@H](O)c1cc2ccccc2s1)Cc1ccccc1 ZINC001445550786 1066586880 /nfs/dbraw/zinc/58/68/80/1066586880.db2.gz ZGNSZNILNZOFFE-PMACEKPBSA-N 0 0 454.592 4.577 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](C(C)C)C3)c2)cc1 ZINC001445547858 1066586920 /nfs/dbraw/zinc/58/69/20/1066586920.db2.gz AKHRJPQOCBFWJE-MRXNPFEDSA-N 0 0 450.988 4.658 20 0 JJADRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001456439761 1066586946 /nfs/dbraw/zinc/58/69/46/1066586946.db2.gz IROJXLORPYPUEQ-CQSZACIVSA-N 0 0 452.330 4.905 20 0 JJADRN Cc1ccc(CCn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361245324 1066587147 /nfs/dbraw/zinc/58/71/47/1066587147.db2.gz KOUWOEMXEAZPMM-JOCHJYFZSA-N 0 0 453.631 4.584 20 0 JJADRN COCCOc1cc(C)ccc1CNC(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001445555872 1066587231 /nfs/dbraw/zinc/58/72/31/1066587231.db2.gz WYYPEKYRRPISKY-UHFFFAOYSA-N 0 0 451.748 4.847 20 0 JJADRN C[C@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456441184 1066587303 /nfs/dbraw/zinc/58/73/03/1066587303.db2.gz RMUUMWYSOTVRLE-HNNXBMFYSA-N 0 0 457.398 4.553 20 0 JJADRN Cc1cc(C)c2c(n1)sc(C(=O)Nc1cccc(CS(C)(=O)=O)c1C)c2-n1cccc1 ZINC001456441966 1066587357 /nfs/dbraw/zinc/58/73/57/1066587357.db2.gz JDRXGLWAPSXDMP-UHFFFAOYSA-N 0 0 453.589 4.809 20 0 JJADRN Cc1ccc(CCn2c(N(C)C[C@H]3CC=CCC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245712 1066587626 /nfs/dbraw/zinc/58/76/26/1066587626.db2.gz SLMFQCYQAUXAQC-HOFKKMOUSA-N 0 0 452.643 4.971 20 0 JJADRN C[C@@H](NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1cccc(N2CCCC2)c1 ZINC001445561930 1066587676 /nfs/dbraw/zinc/58/76/76/1066587676.db2.gz LFWVVBJVOWOMKH-QGZVFWFLSA-N 0 0 455.628 4.782 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361245933 1066587778 /nfs/dbraw/zinc/58/77/78/1066587778.db2.gz IUVODNYTLBRIIB-RUZDIDTESA-N 0 0 456.667 4.747 20 0 JJADRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1 ZINC001456442460 1066587823 /nfs/dbraw/zinc/58/78/23/1066587823.db2.gz MWSGOEWCUZMVTA-LLVKDONJSA-N 0 0 456.431 4.857 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccn(-c2cccc(Br)c2)n1 ZINC001361245935 1066587951 /nfs/dbraw/zinc/58/79/51/1066587951.db2.gz IVDZKWKBDBPFIU-HHHXNRCGSA-N 0 0 458.259 4.515 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001456446239 1066588355 /nfs/dbraw/zinc/58/83/55/1066588355.db2.gz WRRDCHSXWJQOLE-INIZCTEOSA-N 0 0 459.974 4.519 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCc2ccc(C)cc2C)n1 ZINC001361246089 1066588524 /nfs/dbraw/zinc/58/85/24/1066588524.db2.gz XYRFLCBTXSWDSB-QFIPXVFZSA-N 0 0 490.574 4.547 20 0 JJADRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(CSC3CCCCC3)c2)C1=O ZINC001456445694 1066588463 /nfs/dbraw/zinc/58/84/63/1066588463.db2.gz ROZYPRLOFQGFBB-RUZDIDTESA-N 0 0 451.592 4.658 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)ccc1Cl ZINC001456446609 1066588493 /nfs/dbraw/zinc/58/84/93/1066588493.db2.gz QROBKWJKGZZJHD-UHFFFAOYSA-N 0 0 453.951 4.702 20 0 JJADRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(F)c(Br)c(Cl)c1 ZINC001456446570 1066588512 /nfs/dbraw/zinc/58/85/12/1066588512.db2.gz FPPMFQHMHHTKAL-UHFFFAOYSA-N 0 0 459.102 4.918 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)s1 ZINC001361246738 1066588869 /nfs/dbraw/zinc/58/88/69/1066588869.db2.gz AUPSMWCVSCIZCZ-OAQYLSRUSA-N 0 0 467.639 4.748 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)o1 ZINC001361246849 1066588896 /nfs/dbraw/zinc/58/88/96/1066588896.db2.gz GEGMNDLRCFIRFN-HNNXBMFYSA-N 0 0 485.013 4.660 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)ccc2OC(F)F)s1 ZINC001361246903 1066588901 /nfs/dbraw/zinc/58/89/01/1066588901.db2.gz IDIJKHHGJUMASA-UHFFFAOYSA-N 0 0 483.972 4.726 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)s1 ZINC001361246825 1066588977 /nfs/dbraw/zinc/58/89/77/1066588977.db2.gz FNBZYZACDNNJIK-RUZDIDTESA-N 0 0 479.606 4.654 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@@H](O)C2)s1 ZINC001361247228 1066589397 /nfs/dbraw/zinc/58/93/97/1066589397.db2.gz VAVXDTMEHAUNIZ-PZJWPPBQSA-N 0 0 467.639 4.705 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2C)s1 ZINC001361247148 1066589418 /nfs/dbraw/zinc/58/94/18/1066589418.db2.gz RCHURNWQKKIGEE-UYAOXDASSA-N 0 0 467.639 4.826 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(S(C)(=O)=O)cc3C)cc12 ZINC001456448851 1066589382 /nfs/dbraw/zinc/58/93/82/1066589382.db2.gz UOHKPBQNYBNXTO-UHFFFAOYSA-N 0 0 457.552 4.558 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)c2)cc1 ZINC001456448886 1066589435 /nfs/dbraw/zinc/58/94/35/1066589435.db2.gz RLOUZYKWISVHPV-UHFFFAOYSA-N 0 0 450.579 4.712 20 0 JJADRN COc1ccc(C2(CNC(=O)c3cn(-c4ccccc4Cl)nn3)CCCCC2)cc1OC ZINC001456448777 1066589543 /nfs/dbraw/zinc/58/95/43/1066589543.db2.gz QZCHVSKOMUBFPG-UHFFFAOYSA-N 0 0 454.958 4.570 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@H](c3ccc(C(F)(F)F)cc3)C(C)C)cc2C=O)cc1 ZINC001545976683 1066589635 /nfs/dbraw/zinc/58/96/35/1066589635.db2.gz UVNLBUJNSPDAQT-QFIPXVFZSA-N 0 0 459.468 4.904 20 0 JJADRN Cc1ccc(OCc2nc(CC(=O)N[C@H]3CCCN(c4ccc(F)cc4C)C3)cs2)cc1 ZINC001456448582 1066589604 /nfs/dbraw/zinc/58/96/04/1066589604.db2.gz YUJSTADYJPIBRV-FQEVSTJZSA-N 0 0 453.583 4.806 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)coc2C)o1 ZINC001361247273 1066589954 /nfs/dbraw/zinc/58/99/54/1066589954.db2.gz XALYUICJHWLPPC-UHFFFAOYSA-N 0 0 467.957 4.657 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCCc2sccc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361247403 1066590020 /nfs/dbraw/zinc/59/00/20/1066590020.db2.gz BIOMIBVYNFHZJB-XMMPIXPASA-N 0 0 457.617 4.697 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001456450505 1066589921 /nfs/dbraw/zinc/58/99/21/1066589921.db2.gz SPFYHNGYLHDWKT-UHFFFAOYSA-N 0 0 451.449 4.613 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC001445577250 1066590071 /nfs/dbraw/zinc/59/00/71/1066590071.db2.gz YGHWQBMSWISAGP-NSHDSACASA-N 0 0 452.324 4.563 20 0 JJADRN COc1cc(NC2CCN(C(=O)Cc3c4ccc(C)cc4oc3C(C)=O)CC2)cc(OC)c1 ZINC001445580894 1066590084 /nfs/dbraw/zinc/59/00/84/1066590084.db2.gz ASCNEANUHRDSDT-UHFFFAOYSA-N 0 0 450.535 4.607 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC001361247869 1066590522 /nfs/dbraw/zinc/59/05/22/1066590522.db2.gz NFMBTYIMKPWEQQ-JOCHJYFZSA-N 0 0 454.542 4.830 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)CC2=O)c1 ZINC001456451581 1066590536 /nfs/dbraw/zinc/59/05/36/1066590536.db2.gz INVHUBNMQMIJOS-LBPRGKRZSA-N 0 0 458.889 4.995 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cnn1-c1ccc(Cl)cc1 ZINC001456451352 1066590544 /nfs/dbraw/zinc/59/05/44/1066590544.db2.gz UOBSTGGHUHMFDR-LJQANCHMSA-N 0 0 457.361 4.838 20 0 JJADRN Cc1ccc(CNC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)c(OC(C)C)c1 ZINC001445582889 1066590723 /nfs/dbraw/zinc/59/07/23/1066590723.db2.gz KHDKSBPRGVWROS-UHFFFAOYSA-N 0 0 457.571 4.815 20 0 JJADRN CCC1(C(=O)Nc2nc3cc(Br)ccc3[nH]2)CCN(C(=O)c2ccccc2)CC1 ZINC001361247942 1066590850 /nfs/dbraw/zinc/59/08/50/1066590850.db2.gz PFQLILDBGDZBNR-UHFFFAOYSA-N 0 0 455.356 4.597 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)o1 ZINC001361248112 1066590893 /nfs/dbraw/zinc/59/08/93/1066590893.db2.gz GXRVSHYKKOWGCA-LJQANCHMSA-N 0 0 483.588 4.744 20 0 JJADRN Cc1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)nn1-c1ccc(Br)cc1 ZINC001361248226 1066591351 /nfs/dbraw/zinc/59/13/51/1066591351.db2.gz SDYNPEIPDWXXBT-UHFFFAOYSA-N 0 0 458.331 4.518 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c(C)cc1Br ZINC001456461293 1066591846 /nfs/dbraw/zinc/59/18/46/1066591846.db2.gz JLNGAZKHYOOPAZ-UHFFFAOYSA-N 0 0 450.336 4.916 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)n2)s1 ZINC001361248692 1066592223 /nfs/dbraw/zinc/59/22/23/1066592223.db2.gz ODZUDCGVPRPSNL-QFIPXVFZSA-N 0 0 495.571 4.787 20 0 JJADRN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2c(n1)onc2C(C)C ZINC001456464048 1066592324 /nfs/dbraw/zinc/59/23/24/1066592324.db2.gz PXZHERSISBQKGH-UHFFFAOYSA-N 0 0 458.921 4.938 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)s1 ZINC001361248854 1066592732 /nfs/dbraw/zinc/59/27/32/1066592732.db2.gz UILDDTOUKVQJSS-XMMPIXPASA-N 0 0 473.643 4.659 20 0 JJADRN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590216 1066592734 /nfs/dbraw/zinc/59/27/34/1066592734.db2.gz IRQILRHZZOIGFV-RDPSFJRHSA-N 0 0 454.574 4.952 20 0 JJADRN Cc1cc(Br)ccc1CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456465772 1066592786 /nfs/dbraw/zinc/59/27/86/1066592786.db2.gz OHPFTKFFTLAKNA-UHFFFAOYSA-N 0 0 458.377 4.661 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2noc(-c3ccc(F)cc3)n2)CCC1 ZINC001456466863 1066592898 /nfs/dbraw/zinc/59/28/98/1066592898.db2.gz PCXWWTLCGIYPHE-SFHVURJKSA-N 0 0 458.534 4.565 20 0 JJADRN COc1cc(NC2CCN(C(=O)c3c(C)c(C)sc3Br)CC2)cc(OC)c1 ZINC001445589420 1066592840 /nfs/dbraw/zinc/59/28/40/1066592840.db2.gz YHLHVIKZMMPFFH-UHFFFAOYSA-N 0 0 453.402 4.861 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC001445596652 1066593096 /nfs/dbraw/zinc/59/30/96/1066593096.db2.gz ABJMPAUWFPWKNW-QHCPKHFHSA-N 0 0 452.938 4.581 20 0 JJADRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F ZINC001361249194 1066593200 /nfs/dbraw/zinc/59/32/00/1066593200.db2.gz DNDNLNSEMFXOJG-QFIPXVFZSA-N 0 0 453.468 4.923 20 0 JJADRN CCc1cc(OCC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1Cl ZINC001456468056 1066593191 /nfs/dbraw/zinc/59/31/91/1066593191.db2.gz ZUEWLMQMJMTVTL-UHFFFAOYSA-N 0 0 453.341 4.951 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC001456471013 1066593201 /nfs/dbraw/zinc/59/32/01/1066593201.db2.gz UBHYWDSQDJZSAO-IMWIBFENSA-N 0 0 450.608 4.860 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCCCCO)CCO1 ZINC001546082711 1066593341 /nfs/dbraw/zinc/59/33/41/1066593341.db2.gz BLCAFWWRQYACDY-RUZDIDTESA-N 0 0 469.655 4.935 20 0 JJADRN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001445591850 1066593358 /nfs/dbraw/zinc/59/33/58/1066593358.db2.gz XBPNPNDCSLYKJQ-AWEZNQCLSA-N 0 0 455.308 4.686 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCO[C@H](C)C2)o1 ZINC001361249759 1066594120 /nfs/dbraw/zinc/59/41/20/1066594120.db2.gz DPZFEBKGNYAMOU-CVEARBPZSA-N 0 0 462.392 4.779 20 0 JJADRN Cc1cccc(C)c1CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001445601634 1066594176 /nfs/dbraw/zinc/59/41/76/1066594176.db2.gz PSJXSDIUWWUEGO-UHFFFAOYSA-N 0 0 455.352 4.813 20 0 JJADRN CCCCCOc1ccc(C(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)cc1 ZINC001445602195 1066594246 /nfs/dbraw/zinc/59/42/46/1066594246.db2.gz WLMJPSRRDIBWSH-QHCPKHFHSA-N 0 0 458.986 4.581 20 0 JJADRN C[C@@H](CC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1)C(=O)c1ccc(Cl)cc1 ZINC001445609065 1066594601 /nfs/dbraw/zinc/59/46/01/1066594601.db2.gz CIWQOCJGLDOHTR-OXJNMPFZSA-N 0 0 452.938 4.716 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)c1cccc(NCc2cncs2)c1 ZINC001456479928 1066594669 /nfs/dbraw/zinc/59/46/69/1066594669.db2.gz PKNILRUCLLUCOB-HOYKHHGWSA-N 0 0 456.612 4.665 20 0 JJADRN CC(C)(CCO)CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001445608701 1066594776 /nfs/dbraw/zinc/59/47/76/1066594776.db2.gz DZRAVUTXNAKXIA-UHFFFAOYSA-N 0 0 455.407 4.863 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC(C)(C)C)o1 ZINC001361249980 1066595278 /nfs/dbraw/zinc/59/52/78/1066595278.db2.gz MUKIYALVTYHFPY-UHFFFAOYSA-N 0 0 488.430 4.859 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CCCS2)o1 ZINC001361250001 1066595610 /nfs/dbraw/zinc/59/56/10/1066595610.db2.gz NJDWDLDZCKJYJA-IBGZPJMESA-N 0 0 450.406 4.859 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001456484062 1066595842 /nfs/dbraw/zinc/59/58/42/1066595842.db2.gz YRLMJOACWPFRAU-VQIMIIECSA-N 0 0 459.612 4.630 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCSC2)s1 ZINC001361250088 1066596282 /nfs/dbraw/zinc/59/62/82/1066596282.db2.gz QEXCXPLDQJWOKF-CYBMUJFWSA-N 0 0 452.447 4.795 20 0 JJADRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001445630917 1066596457 /nfs/dbraw/zinc/59/64/57/1066596457.db2.gz XQXLVACCOULNJG-JMUQELJHSA-N 0 0 468.569 4.629 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ncccc2F)s1 ZINC001361250319 1066596744 /nfs/dbraw/zinc/59/67/44/1066596744.db2.gz VQWPSESHLRCJRZ-UHFFFAOYSA-N 0 0 491.390 4.655 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CC1=O ZINC001361250721 1066597155 /nfs/dbraw/zinc/59/71/55/1066597155.db2.gz OCXREMFAEABOIM-QUCCMNQESA-N 0 0 456.546 4.839 20 0 JJADRN CCCN(C(=O)Cc1cc(Br)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639082 1066597526 /nfs/dbraw/zinc/59/75/26/1066597526.db2.gz OTUVLTQBURKMMR-UHFFFAOYSA-N 0 0 457.384 4.769 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2Cl)o1 ZINC001361250850 1066597754 /nfs/dbraw/zinc/59/77/54/1066597754.db2.gz BVWKMUAOVVHTML-UHFFFAOYSA-N 0 0 459.337 4.659 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)s1 ZINC001361250836 1066597824 /nfs/dbraw/zinc/59/78/24/1066597824.db2.gz BSHMJEQUOHIGFU-UHFFFAOYSA-N 0 0 455.971 4.514 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCCCCCO)o1 ZINC001361251036 1066597919 /nfs/dbraw/zinc/59/79/19/1066597919.db2.gz GPTHIXGYSQMNKO-UHFFFAOYSA-N 0 0 465.367 4.937 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C ZINC001456491146 1066597827 /nfs/dbraw/zinc/59/78/27/1066597827.db2.gz TVJTZWPOXNAMQA-ONTLXTELSA-N 0 0 455.643 4.535 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)o1 ZINC001361251058 1066597987 /nfs/dbraw/zinc/59/79/87/1066597987.db2.gz HGENBRGHCRDKNF-NRFANRHFSA-N 0 0 463.351 4.546 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)nc2)s1 ZINC001361251214 1066598333 /nfs/dbraw/zinc/59/83/33/1066598333.db2.gz JMPFNVQVYBHARY-UHFFFAOYSA-N 0 0 454.003 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001456492581 1066598411 /nfs/dbraw/zinc/59/84/11/1066598411.db2.gz OCHRUCGMJIBJIQ-INIZCTEOSA-N 0 0 456.974 4.804 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)CSc2nccn2C(C)(C)C)CC1 ZINC001456493985 1066598853 /nfs/dbraw/zinc/59/88/53/1066598853.db2.gz BNRLCCXZRISBKN-UHFFFAOYSA-N 0 0 452.665 4.520 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCCS2(=O)=O)o1 ZINC001361251410 1066598920 /nfs/dbraw/zinc/59/89/20/1066598920.db2.gz QXJVOZHAWDJHRZ-KRWDZBQOSA-N 0 0 483.421 4.757 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001456493583 1066599040 /nfs/dbraw/zinc/59/90/40/1066599040.db2.gz XWJNBFZZBXEQSP-CQSZACIVSA-N 0 0 457.290 4.694 20 0 JJADRN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001445661863 1066599337 /nfs/dbraw/zinc/59/93/37/1066599337.db2.gz VTMGZKDWPKNWMY-LLVKDONJSA-N 0 0 459.301 4.565 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2CCCN2CCCCCC2=O)o1 ZINC001361251561 1066599361 /nfs/dbraw/zinc/59/93/61/1066599361.db2.gz WVVBWGTYQFMOCL-UHFFFAOYSA-N 0 0 455.990 4.929 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)cc21 ZINC001445665406 1066599488 /nfs/dbraw/zinc/59/94/88/1066599488.db2.gz CKDMNHLEZNVERP-LJQANCHMSA-N 0 0 451.350 4.754 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C2CCC2)n1 ZINC001456495534 1066599411 /nfs/dbraw/zinc/59/94/11/1066599411.db2.gz SXBOWOBMMFFWGT-UHFFFAOYSA-N 0 0 456.468 4.889 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCC(C)C)s1 ZINC001361251624 1066599565 /nfs/dbraw/zinc/59/95/65/1066599565.db2.gz ZJHBGNCYVHLMCI-UHFFFAOYSA-N 0 0 456.612 4.785 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCO[C@H](C)C2)CCO1 ZINC001546082863 1066599746 /nfs/dbraw/zinc/59/97/46/1066599746.db2.gz FAFNFOWOECDLMX-DIVYTMEGSA-N 0 0 456.631 4.855 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCO[C@@H](C)C2)CCO1 ZINC001546082866 1066599867 /nfs/dbraw/zinc/59/98/67/1066599867.db2.gz FAFNFOWOECDLMX-YRWQMTPXSA-N 0 0 456.631 4.855 20 0 JJADRN COc1cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)ccc1OCc1cscn1 ZINC001445668610 1066599897 /nfs/dbraw/zinc/59/98/97/1066599897.db2.gz GWACXXIAKDUSGO-QGZVFWFLSA-N 0 0 453.347 4.501 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(C)sc(C)c2Br)o1 ZINC001361252554 1066599886 /nfs/dbraw/zinc/59/98/86/1066599886.db2.gz NEJLZJGSGZRDHZ-UHFFFAOYSA-N 0 0 475.416 4.706 20 0 JJADRN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC001445671645 1066599998 /nfs/dbraw/zinc/59/99/98/1066599998.db2.gz OGCAOEKWXVIVKG-SXSPYAJSSA-N 0 0 456.583 4.526 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001445674697 1066600464 /nfs/dbraw/zinc/60/04/64/1066600464.db2.gz ADCTWQUNUCKEQM-HLNWXESRSA-N 0 0 465.038 4.667 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC001445677914 1066601106 /nfs/dbraw/zinc/60/11/06/1066601106.db2.gz MFECVTQONRXWHS-SFHVURJKSA-N 0 0 456.637 4.581 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC001445679307 1066601129 /nfs/dbraw/zinc/60/11/29/1066601129.db2.gz NVXOPKUCXNMUAM-DAXOMENPSA-N 0 0 472.943 4.982 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccnc3)n2CCNc2ncc(Cl)cc2Cl)o1 ZINC001361253046 1066601145 /nfs/dbraw/zinc/60/11/45/1066601145.db2.gz VPDCKDARICNVAH-UHFFFAOYSA-N 0 0 458.353 4.692 20 0 JJADRN C[C@H](O)C[C@@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 ZINC001445679485 1066601793 /nfs/dbraw/zinc/60/17/93/1066601793.db2.gz ASWZVNHDBRJRHX-WMZOPIPTSA-N 0 0 458.352 4.906 20 0 JJADRN Cc1cnn(-c2cc(C(=O)N3CCC[C@@H]3c3c(C)nn(CC(C)C)c3Cl)c(N)cc2F)c1 ZINC001445680079 1066601829 /nfs/dbraw/zinc/60/18/29/1066601829.db2.gz QNWCXGMPEFSYOM-LJQANCHMSA-N 0 0 458.969 4.694 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCc1ccccc1 ZINC001456501337 1066602367 /nfs/dbraw/zinc/60/23/67/1066602367.db2.gz NPBAYHTWCFAKJZ-NRFANRHFSA-N 0 0 459.468 4.779 20 0 JJADRN COc1cc(N[C@@H]2CCCN(C(=O)c3csc(Cc4cccc(F)c4)n3)C2)cc(OC)c1 ZINC001445682559 1066602418 /nfs/dbraw/zinc/60/24/18/1066602418.db2.gz BPHNUFOMHMMHTO-GOSISDBHSA-N 0 0 455.555 4.607 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361254468 1066602424 /nfs/dbraw/zinc/60/24/24/1066602424.db2.gz KJNQNCKTTDVDGA-OAQYLSRUSA-N 0 0 471.602 4.625 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Br)C3)nc2)c1 ZINC001456500385 1066602489 /nfs/dbraw/zinc/60/24/89/1066602489.db2.gz FBZIDVKQJDQFDR-QGZVFWFLSA-N 0 0 452.352 4.954 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC001361254605 1066602521 /nfs/dbraw/zinc/60/25/21/1066602521.db2.gz YYGGGZDUEBXBHR-UHFFFAOYSA-N 0 0 457.530 4.955 20 0 JJADRN CC(=O)Nc1cnccc1C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001445685038 1066603048 /nfs/dbraw/zinc/60/30/48/1066603048.db2.gz WRMYXDWNNPPUQI-NSHDSACASA-N 0 0 459.369 4.725 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCCO)s1 ZINC001361255740 1066603691 /nfs/dbraw/zinc/60/36/91/1066603691.db2.gz OYFYVEOZYPGOAI-FQEVSTJZSA-N 0 0 491.702 4.952 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1 ZINC001445687959 1066603832 /nfs/dbraw/zinc/60/38/32/1066603832.db2.gz QRMOHHBXJNSADI-UHFFFAOYSA-N 0 0 455.624 4.697 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCCn2cc(Br)cn2)s1 ZINC001361255846 1066603864 /nfs/dbraw/zinc/60/38/64/1066603864.db2.gz QZPHJQSPACHNEL-UHFFFAOYSA-N 0 0 465.465 4.922 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccncc2)o1 ZINC001361255934 1066604387 /nfs/dbraw/zinc/60/43/87/1066604387.db2.gz TXEYSEQYEPSCMK-UHFFFAOYSA-N 0 0 480.613 4.568 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001445690612 1066604410 /nfs/dbraw/zinc/60/44/10/1066604410.db2.gz RCWKHMUWMYYPDJ-PXDATVDWSA-N 0 0 450.966 4.595 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cccc(C(=O)N3CCCC3)n2)c1 ZINC001456506008 1066604254 /nfs/dbraw/zinc/60/42/54/1066604254.db2.gz NVTVQKUQPQOYOL-AREMUKBSSA-N 0 0 457.574 4.657 20 0 JJADRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001456504759 1066604291 /nfs/dbraw/zinc/60/42/91/1066604291.db2.gz IACIHUHWQSPZGU-UHFFFAOYSA-N 0 0 451.832 4.928 20 0 JJADRN O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456507408 1066604951 /nfs/dbraw/zinc/60/49/51/1066604951.db2.gz OOJZQYFPYODADV-JOCHJYFZSA-N 0 0 454.368 4.921 20 0 JJADRN C[C@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361256635 1066604983 /nfs/dbraw/zinc/60/49/83/1066604983.db2.gz DUGJRGZDVHOJFK-INIZCTEOSA-N 0 0 451.419 4.778 20 0 JJADRN O=C(Nc1ccccc1)c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)ccc1Cl ZINC001456507886 1066605011 /nfs/dbraw/zinc/60/50/11/1066605011.db2.gz AMMMVYWVKNTUID-UHFFFAOYSA-N 0 0 454.935 4.537 20 0 JJADRN CC[C@@](O)(CCC(F)(F)F)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001456508043 1066605098 /nfs/dbraw/zinc/60/50/98/1066605098.db2.gz KXAPKJNSQPOSAJ-QGZVFWFLSA-N 0 0 452.260 4.789 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccnc(OCc2ccccc2)c1 ZINC001445691914 1066605138 /nfs/dbraw/zinc/60/51/38/1066605138.db2.gz TTXNKVUFUQDEIW-AREMUKBSSA-N 0 0 454.526 4.703 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2Cc2nccc(C(F)F)n2)s1 ZINC001361257542 1066605603 /nfs/dbraw/zinc/60/56/03/1066605603.db2.gz CGPJFPIXQHIEFC-UHFFFAOYSA-N 0 0 454.550 4.960 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cccc(Br)c1Cl ZINC001456508792 1066605671 /nfs/dbraw/zinc/60/56/71/1066605671.db2.gz SURGJZBVHXLAAD-NSHDSACASA-N 0 0 458.581 4.874 20 0 JJADRN COC(=O)c1cccc(CNC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC001445696190 1066605734 /nfs/dbraw/zinc/60/57/34/1066605734.db2.gz JKNYASXCAOMYEP-UHFFFAOYSA-N 0 0 454.320 4.745 20 0 JJADRN Cc1cccc(O[C@@H](C)C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 ZINC001456510097 1066606273 /nfs/dbraw/zinc/60/62/73/1066606273.db2.gz CXAQVEJJZQMFBF-NBGIEHNGSA-N 0 0 451.588 4.688 20 0 JJADRN COc1cc(/C=C\C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)cc(Br)c1O ZINC001456510784 1066606282 /nfs/dbraw/zinc/60/62/82/1066606282.db2.gz MXNDQWSLNASTBK-YLNCNTMDSA-N 0 0 456.336 4.644 20 0 JJADRN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001445704026 1066606986 /nfs/dbraw/zinc/60/69/86/1066606986.db2.gz QRKHTRCXHJYQJX-ICSRJNTNSA-N 0 0 458.356 4.736 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC001456511340 1066607036 /nfs/dbraw/zinc/60/70/36/1066607036.db2.gz GKTWHOSISNESGY-BFLUCZKCSA-N 0 0 463.599 4.725 20 0 JJADRN C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001361258162 1066607130 /nfs/dbraw/zinc/60/71/30/1066607130.db2.gz TXFDFDQBBGLQFR-IBGZPJMESA-N 0 0 456.989 4.983 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Cc2ccccc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456513231 1066607473 /nfs/dbraw/zinc/60/74/73/1066607473.db2.gz IAKVDCBHSUPHEU-DFBJGRDBSA-N 0 0 453.579 4.930 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCSCC(F)(F)F)CCO1 ZINC001546082956 1066607535 /nfs/dbraw/zinc/60/75/35/1066607535.db2.gz GTJGRPHOMWZWNC-YWZLYKJASA-N 0 0 476.540 4.858 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Cc2ccccc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001456513207 1066607617 /nfs/dbraw/zinc/60/76/17/1066607617.db2.gz IAKVDCBHSUPHEU-CLOONOSVSA-N 0 0 453.579 4.930 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cnc3sc(C)c(C)n3c2=O)c2ccccc2Cl)c1 ZINC001456513525 1066608484 /nfs/dbraw/zinc/60/84/84/1066608484.db2.gz IDRCSGUZFZLUMM-HXUWFJFHSA-N 0 0 453.951 4.554 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)s1 ZINC001361258873 1066609136 /nfs/dbraw/zinc/60/91/36/1066609136.db2.gz HVSCQIKNSJKFBN-KRWDZBQOSA-N 0 0 469.602 4.821 20 0 JJADRN COCCOc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)nc2ccccc21 ZINC001456515363 1066609101 /nfs/dbraw/zinc/60/91/01/1066609101.db2.gz CQNHCDSLVOMNFA-UHFFFAOYSA-N 0 0 456.424 4.717 20 0 JJADRN CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)C2([C@H]3CCCCO3)CCC2)CC1 ZINC001456516257 1066609120 /nfs/dbraw/zinc/60/91/20/1066609120.db2.gz IXRMUIFDTLWHAH-JOCHJYFZSA-N 0 0 456.627 4.811 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)s1 ZINC001361259289 1066609740 /nfs/dbraw/zinc/60/97/40/1066609740.db2.gz XIJMWSMHROPPBO-UHFFFAOYSA-N 0 0 470.643 4.527 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCCN(C)C(=O)OC(C)(C)C)o1 ZINC001361259204 1066609754 /nfs/dbraw/zinc/60/97/54/1066609754.db2.gz URZVCGRURXEDTI-UHFFFAOYSA-N 0 0 459.616 4.725 20 0 JJADRN CC(C)C[C@H]1CCCCN1C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001445716463 1066609790 /nfs/dbraw/zinc/60/97/90/1066609790.db2.gz WADSWMWYCAOLIB-MRXNPFEDSA-N 0 0 459.450 4.567 20 0 JJADRN O=C(NCC1(OCCO)CCC(C(F)F)CC1)c1cccnc1SCC1CCCCC1 ZINC001456517220 1066609802 /nfs/dbraw/zinc/60/98/02/1066609802.db2.gz URODGKDZUFSEBX-UHFFFAOYSA-N 0 0 456.599 4.687 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)cc1OCC ZINC001456518348 1066610485 /nfs/dbraw/zinc/61/04/85/1066610485.db2.gz LZURXKKPKODRLI-HXUWFJFHSA-N 0 0 459.930 4.747 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456518361 1066610491 /nfs/dbraw/zinc/61/04/91/1066610491.db2.gz QHEZWJZLLXGPMF-LJQANCHMSA-N 0 0 456.558 4.678 20 0 JJADRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1O ZINC001445717813 1066610536 /nfs/dbraw/zinc/61/05/36/1066610536.db2.gz VYTLDBOEYAONGM-UHFFFAOYSA-N 0 0 454.939 4.985 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H](O)C2)o1 ZINC001361260982 1066610967 /nfs/dbraw/zinc/61/09/67/1066610967.db2.gz CPONIQQVJUUMAG-IEBWSBKVSA-N 0 0 489.414 4.709 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCCc2c[nH]nc2C)o1 ZINC001361260997 1066610992 /nfs/dbraw/zinc/61/09/92/1066610992.db2.gz CXOQDGDMMNKLLP-UHFFFAOYSA-N 0 0 454.962 4.713 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)n2)ccc1F ZINC001456520301 1066611143 /nfs/dbraw/zinc/61/11/43/1066611143.db2.gz VPWOTFYRPCNJJL-UHFFFAOYSA-N 0 0 459.403 4.960 20 0 JJADRN Cc1cc(C)n([C@H](C)CC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)n1 ZINC001456519554 1066611161 /nfs/dbraw/zinc/61/11/61/1066611161.db2.gz UBIGGNXIHZYWBQ-OAQYLSRUSA-N 0 0 454.615 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccccc21 ZINC001445722647 1066611149 /nfs/dbraw/zinc/61/11/49/1066611149.db2.gz UFPNDUAYUGNLBL-FPOVZHCZSA-N 0 0 451.567 4.518 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cc(CN2CCCC2)on1 ZINC001445726896 1066611583 /nfs/dbraw/zinc/61/15/83/1066611583.db2.gz BGFQGIDCFBYBEP-NRFANRHFSA-N 0 0 458.331 4.691 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001456521375 1066611715 /nfs/dbraw/zinc/61/17/15/1066611715.db2.gz VJBNENIBHQWPEO-HNNXBMFYSA-N 0 0 455.165 4.984 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NC[C@@H](O)c2ccc3ccccc3c2)C1 ZINC001445722807 1066611665 /nfs/dbraw/zinc/61/16/65/1066611665.db2.gz NTELONYYAALHTB-TWJOJJKGSA-N 0 0 474.601 4.715 20 0 JJADRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H](O)c1ccc2ccccc2c1 ZINC001445724059 1066611709 /nfs/dbraw/zinc/61/17/09/1066611709.db2.gz PQFPVRXNQOGCCQ-QFIPXVFZSA-N 0 0 452.963 4.921 20 0 JJADRN Cc1nnc(-c2cccc(NC(=O)c3ccc(-n4nc(C)c(Br)c4C)cc3)c2)o1 ZINC001456522504 1066612426 /nfs/dbraw/zinc/61/24/26/1066612426.db2.gz QIDMXZYNSRQPLX-UHFFFAOYSA-N 0 0 452.312 4.862 20 0 JJADRN C[C@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC001445738354 1066612903 /nfs/dbraw/zinc/61/29/03/1066612903.db2.gz TZUBUTLODVIRMI-ARBPTSGCSA-N 0 0 458.327 4.947 20 0 JJADRN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC001456526457 1066613567 /nfs/dbraw/zinc/61/35/67/1066613567.db2.gz ATQNQXCGUOFDSH-QFIPXVFZSA-N 0 0 455.396 4.879 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)s1 ZINC001361261547 1066613647 /nfs/dbraw/zinc/61/36/47/1066613647.db2.gz SUVDPONUJQHOSQ-CQSZACIVSA-N 0 0 474.940 4.590 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC001445739644 1066613716 /nfs/dbraw/zinc/61/37/16/1066613716.db2.gz OAEYSHYLPUEVPZ-SIKLNZKXSA-N 0 0 453.311 4.920 20 0 JJADRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC001445743902 1066613807 /nfs/dbraw/zinc/61/38/07/1066613807.db2.gz LUEMHWGIGITAKS-CHWSQXEVSA-N 0 0 450.284 4.747 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@H](F)C2)s1 ZINC001361261704 1066614204 /nfs/dbraw/zinc/61/42/04/1066614204.db2.gz HVLNEGGSVSWHNC-QZTJIDSGSA-N 0 0 459.591 4.724 20 0 JJADRN CC(C)(C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccccc1Br ZINC001445754940 1066614377 /nfs/dbraw/zinc/61/43/77/1066614377.db2.gz SSCQSBDFSWIFSJ-CQSZACIVSA-N 0 0 458.318 4.713 20 0 JJADRN CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1 ZINC001445752090 1066614575 /nfs/dbraw/zinc/61/45/75/1066614575.db2.gz ZTBROMYZOLMALE-OAQYLSRUSA-N 0 0 457.299 4.772 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(C(C)C)n2CCN2CCOCC2(C)C)s1 ZINC001361262097 1066615361 /nfs/dbraw/zinc/61/53/61/1066615361.db2.gz RCRQPSAVBDSKCU-UHFFFAOYSA-N 0 0 457.644 4.682 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(Cc3ccsc3)n2CC(=O)NC(C)C)s1 ZINC001361262228 1066615412 /nfs/dbraw/zinc/61/54/12/1066615412.db2.gz XHHWTIAJEIEKBX-UHFFFAOYSA-N 0 0 469.636 4.625 20 0 JJADRN COC(=O)c1cc(C)cc(NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 ZINC001456533453 1066615434 /nfs/dbraw/zinc/61/54/34/1066615434.db2.gz VYCHFEMZFVRKEP-FQEVSTJZSA-N 0 0 452.507 4.602 20 0 JJADRN COC(=O)c1ccc(CCC(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 ZINC001456533638 1066615490 /nfs/dbraw/zinc/61/54/90/1066615490.db2.gz DVBMSNNXVSHQAK-UHFFFAOYSA-N 0 0 456.340 4.516 20 0 JJADRN CCOC(=O)c1c(C)n(C2CCCC2)c2ccc(OC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cc21 ZINC001456532995 1066615541 /nfs/dbraw/zinc/61/55/41/1066615541.db2.gz DQPYHJSPGBYASN-GOSISDBHSA-N 0 0 454.567 4.651 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c2ccc(Cl)cc2)c1 ZINC001361262488 1066616108 /nfs/dbraw/zinc/61/61/08/1066616108.db2.gz JOXDFNDOAPWKEN-VZKPYBMVSA-N 0 0 450.025 4.623 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001361263822 1066616723 /nfs/dbraw/zinc/61/67/23/1066616723.db2.gz MQNWORMDHGMQFO-HXUWFJFHSA-N 0 0 490.098 4.858 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2cscn2)s1 ZINC001361263663 1066616744 /nfs/dbraw/zinc/61/67/44/1066616744.db2.gz IFUFDCAJJSMGAI-UHFFFAOYSA-N 0 0 452.609 4.658 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)CCc2cc(Br)c(Br)s2)C12CCC2 ZINC001456537361 1066617385 /nfs/dbraw/zinc/61/73/85/1066617385.db2.gz WATOBIOEOQBWEX-OLZOCXBDSA-N 0 0 451.224 4.670 20 0 JJADRN CN(C(=O)c1c(Br)cnn1C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456537568 1066617992 /nfs/dbraw/zinc/61/79/92/1066617992.db2.gz XLQJKCLKSINFBO-UHFFFAOYSA-N 0 0 455.234 4.665 20 0 JJADRN COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)c1 ZINC001445792073 1066617984 /nfs/dbraw/zinc/61/79/84/1066617984.db2.gz RBISIIVYUSSAJY-SANMLTNESA-N 0 0 456.542 4.999 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001445790415 1066618140 /nfs/dbraw/zinc/61/81/40/1066618140.db2.gz AVZUZSKBLMEXEI-MJWYBRSISA-N 0 0 455.357 4.515 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001445790419 1066618170 /nfs/dbraw/zinc/61/81/70/1066618170.db2.gz AVZUZSKBLMEXEI-ORPRQENYSA-N 0 0 455.357 4.515 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(I)c(Cl)cc2Cl)C12CCC2 ZINC001456538339 1066618524 /nfs/dbraw/zinc/61/85/24/1066618524.db2.gz ZNRJXBIAJAHIDZ-ZIAGYGMSSA-N 0 0 454.135 4.676 20 0 JJADRN Cc1cccc(O[C@H](C)CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 ZINC001456538729 1066618551 /nfs/dbraw/zinc/61/85/51/1066618551.db2.gz YUVPNHFVPMDFCG-HXUWFJFHSA-N 0 0 454.636 4.981 20 0 JJADRN COc1ccc(OC)c([C@H](O)CNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1 ZINC001445794666 1066618663 /nfs/dbraw/zinc/61/86/63/1066618663.db2.gz VKOIMYWCQUGVES-OAQYLSRUSA-N 0 0 458.461 4.512 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445795266 1066618770 /nfs/dbraw/zinc/61/87/70/1066618770.db2.gz FXBOYXISLPEKKS-PMUMKWKESA-N 0 0 457.398 4.569 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@@H](O)c1c(F)cccc1F ZINC001445793225 1066618778 /nfs/dbraw/zinc/61/87/78/1066618778.db2.gz BNILLXZZNJTCRQ-NFBKMPQASA-N 0 0 456.464 4.907 20 0 JJADRN O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(Br)ccc1OC(F)F ZINC001445792921 1066618822 /nfs/dbraw/zinc/61/88/22/1066618822.db2.gz AJADEVOWNTYRRZ-CYBMUJFWSA-N 0 0 454.189 4.533 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CCC2CCOCC2)cn1 ZINC001361267022 1066619267 /nfs/dbraw/zinc/61/92/67/1066619267.db2.gz JHDAHYHAWIKQEK-LJQANCHMSA-N 0 0 453.562 4.562 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccsc2)c(=O)n1C ZINC001361267275 1066619374 /nfs/dbraw/zinc/61/93/74/1066619374.db2.gz LJBUZNXJJFBIQX-KRWDZBQOSA-N 0 0 484.025 4.825 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)c1C(F)F ZINC001456539702 1066619311 /nfs/dbraw/zinc/61/93/11/1066619311.db2.gz NSQASNABNWMHLH-UHFFFAOYSA-N 0 0 459.415 4.603 20 0 JJADRN C[C@H](CC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445795431 1066619363 /nfs/dbraw/zinc/61/93/63/1066619363.db2.gz GESACJDKRMBMOJ-LRAJWGHMSA-N 0 0 456.986 4.691 20 0 JJADRN C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC001445796379 1066619431 /nfs/dbraw/zinc/61/94/31/1066619431.db2.gz HBBXZIAIOCZION-MPBGBICISA-N 0 0 456.739 4.833 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(CC(F)F)CC2)s1 ZINC001361266790 1066619402 /nfs/dbraw/zinc/61/94/02/1066619402.db2.gz FZBXKKVQFSZXFG-MRXNPFEDSA-N 0 0 482.000 4.877 20 0 JJADRN C/C=C\COc1cccc(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c1 ZINC001456540648 1066619831 /nfs/dbraw/zinc/61/98/31/1066619831.db2.gz VQQNGXMCOFYTFX-IHWYPQMZSA-N 0 0 459.262 4.921 20 0 JJADRN Cc1ccc(C[C@H](C)NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)s1 ZINC001456541497 1066619859 /nfs/dbraw/zinc/61/98/59/1066619859.db2.gz HJBGPWGTTUGRCS-HNNXBMFYSA-N 0 0 451.621 4.764 20 0 JJADRN C/C=C/COc1cccc(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c1 ZINC001456540651 1066619897 /nfs/dbraw/zinc/61/98/97/1066619897.db2.gz VQQNGXMCOFYTFX-NSCUHMNNSA-N 0 0 459.262 4.921 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)[C@@H](O)c1c(F)cccc1F ZINC001445798477 1066619911 /nfs/dbraw/zinc/61/99/11/1066619911.db2.gz GLTCUIDNIHXOQV-PGRDOPGGSA-N 0 0 455.461 4.928 20 0 JJADRN CCc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cnn1-c1ccc(OC)cc1 ZINC001456543112 1066620609 /nfs/dbraw/zinc/62/06/09/1066620609.db2.gz OUTZMYURIOLHAU-UHFFFAOYSA-N 0 0 451.954 4.832 20 0 JJADRN CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@@H](O)c1c(F)cccc1F ZINC001445802107 1066620799 /nfs/dbraw/zinc/62/07/99/1066620799.db2.gz JOZQXFKJQGJVNU-DYESRHJHSA-N 0 0 456.518 4.700 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](OCC(C)C)C2)cc1 ZINC001361268273 1066621345 /nfs/dbraw/zinc/62/13/45/1066621345.db2.gz IZEIWJUGPUXKJE-IBGZPJMESA-N 0 0 458.404 4.644 20 0 JJADRN COc1cccc([C@@H](O)CNC(=O)c2ccc(COc3ccccc3Br)cc2)c1 ZINC001445806964 1066621409 /nfs/dbraw/zinc/62/14/09/1066621409.db2.gz WGTAUVWECKEDHS-NRFANRHFSA-N 0 0 456.336 4.500 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001445812128 1066621996 /nfs/dbraw/zinc/62/19/96/1066621996.db2.gz CRUHOQAHAKBHLJ-INIZCTEOSA-N 0 0 452.393 4.673 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)cn1 ZINC001361269019 1066622474 /nfs/dbraw/zinc/62/24/74/1066622474.db2.gz ZGBIEHXVKUJISJ-PGRDOPGGSA-N 0 0 455.603 4.887 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC001456549820 1066622625 /nfs/dbraw/zinc/62/26/25/1066622625.db2.gz WFZRHDFSGNFLDX-GOSISDBHSA-N 0 0 454.386 4.740 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCCO2)c(C)c1 ZINC001361269140 1066622911 /nfs/dbraw/zinc/62/29/11/1066622911.db2.gz ZCPBFRDYCLMZER-LJQANCHMSA-N 0 0 458.404 4.706 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H](C)c1ccc(C)cc1)C2 ZINC001456552276 1066623095 /nfs/dbraw/zinc/62/30/95/1066623095.db2.gz PEYVGURWSOECPC-DYESRHJHSA-N 0 0 454.567 4.598 20 0 JJADRN CO[C@](C)(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1ccccc1F ZINC001361270291 1066624219 /nfs/dbraw/zinc/62/42/19/1066624219.db2.gz GXRWJCRTTLFKOO-DFFLPILJSA-N 0 0 454.464 4.958 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001361270854 1066624280 /nfs/dbraw/zinc/62/42/80/1066624280.db2.gz OMIYTINRZPONHS-GMKZXUHWSA-N 0 0 450.579 4.837 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3cccnc3OCC(F)F)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361270686 1066624291 /nfs/dbraw/zinc/62/42/91/1066624291.db2.gz KHJNISBIFBTGJI-BETUJISGSA-N 0 0 459.415 4.610 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc3oc(=O)[nH]c3c2)c1 ZINC001445839022 1066625071 /nfs/dbraw/zinc/62/50/71/1066625071.db2.gz CYGKSBCZHRNPAQ-UHFFFAOYSA-N 0 0 455.879 4.772 20 0 JJADRN COc1ccc(OCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1C ZINC001361271650 1066624892 /nfs/dbraw/zinc/62/48/92/1066624892.db2.gz XAHVPSVZYNVNEU-HZPDHXFCSA-N 0 0 452.473 4.654 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H](O)c1c(Cl)cccc1Cl ZINC001445833281 1066625099 /nfs/dbraw/zinc/62/50/99/1066625099.db2.gz ZCJDUIPEQKWZKV-YPKQCJJXSA-N 0 0 455.179 4.880 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cccc3[nH]c(=O)oc32)c1 ZINC001445844635 1066625587 /nfs/dbraw/zinc/62/55/87/1066625587.db2.gz NHXSJDDITIPAJJ-UHFFFAOYSA-N 0 0 455.879 4.772 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1N1CCNC1=O ZINC001456561846 1066625590 /nfs/dbraw/zinc/62/55/90/1066625590.db2.gz XGOWEZIWQKFAPA-UHFFFAOYSA-N 0 0 451.910 4.710 20 0 JJADRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001545979201 1066625660 /nfs/dbraw/zinc/62/56/60/1066625660.db2.gz WDBAWFJFBXQDQJ-UHFFFAOYSA-N 0 0 451.202 4.850 20 0 JJADRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 ZINC001445843735 1066625733 /nfs/dbraw/zinc/62/57/33/1066625733.db2.gz LZBSMDADCPTVIT-FPTDNZKUSA-N 0 0 455.958 4.562 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)Cc2c(C)nn(CC3CC3)c2C)c1C ZINC001456564206 1066625621 /nfs/dbraw/zinc/62/56/21/1066625621.db2.gz RZSVLOXJNQMYRY-UHFFFAOYSA-N 0 0 456.388 4.656 20 0 JJADRN Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001361272185 1066626274 /nfs/dbraw/zinc/62/62/74/1066626274.db2.gz JXZFGUYLPVYUGV-JOCHJYFZSA-N 0 0 462.598 4.533 20 0 JJADRN Cc1cccc([C@H](CC(=O)N2CC3(CCCC3)c3cc(Br)ccc32)NC(N)=O)c1 ZINC001445849019 1066626433 /nfs/dbraw/zinc/62/64/33/1066626433.db2.gz GSDUUIHLLQLFKH-IBGZPJMESA-N 0 0 456.384 4.716 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)nnc1-c1cccs1 ZINC001456564383 1066626517 /nfs/dbraw/zinc/62/65/17/1066626517.db2.gz HMIRLPIBZNSXIG-UGSOOPFHSA-N 0 0 451.017 4.664 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)c(=O)n1C ZINC001361272450 1066626804 /nfs/dbraw/zinc/62/68/04/1066626804.db2.gz LTGFETRAZUSVRY-WOJBJXKFSA-N 0 0 463.626 4.518 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)c(=O)n1C ZINC001361272449 1066626890 /nfs/dbraw/zinc/62/68/90/1066626890.db2.gz LTGFETRAZUSVRY-PMACEKPBSA-N 0 0 463.626 4.518 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@H](C)[C@H](C)C2)c(=O)n1C ZINC001361272448 1066626902 /nfs/dbraw/zinc/62/69/02/1066626902.db2.gz LTGFETRAZUSVRY-BGYRXZFFSA-N 0 0 463.626 4.518 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cn1 ZINC001361272691 1066627609 /nfs/dbraw/zinc/62/76/09/1066627609.db2.gz JXULBZCSIKRVJC-NRFANRHFSA-N 0 0 483.016 4.796 20 0 JJADRN C[C@@](O)(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(F)cc1 ZINC001456568249 1066627895 /nfs/dbraw/zinc/62/78/95/1066627895.db2.gz SVHUBIFPEUVUPK-QFIPXVFZSA-N 0 0 457.299 4.687 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC001445865889 1066628464 /nfs/dbraw/zinc/62/84/64/1066628464.db2.gz XMTWQCGGZWGKRQ-UHFFFAOYSA-N 0 0 450.545 4.661 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001361273148 1066628863 /nfs/dbraw/zinc/62/88/63/1066628863.db2.gz OLRYRLARVYSYAR-ZDUSSCGKSA-N 0 0 465.392 4.880 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001445867061 1066629100 /nfs/dbraw/zinc/62/91/00/1066629100.db2.gz MPLPURNPWCSDNA-CYSDGLOUSA-N 0 0 458.961 4.551 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)s1 ZINC001361273292 1066629406 /nfs/dbraw/zinc/62/94/06/1066629406.db2.gz XJQOVIVGMQIQOJ-XHDPSFHLSA-N 0 0 457.909 4.568 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)c(=O)n1C ZINC001361273609 1066630248 /nfs/dbraw/zinc/63/02/48/1066630248.db2.gz VKVHIINNRVZYBH-XMMPIXPASA-N 0 0 477.653 4.549 20 0 JJADRN O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc(-n2cc(Br)cn2)nn1 ZINC001456580130 1066630326 /nfs/dbraw/zinc/63/03/26/1066630326.db2.gz NLRVZNXJPIFPJE-UHFFFAOYSA-N 0 0 458.385 4.853 20 0 JJADRN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC001456579320 1066630392 /nfs/dbraw/zinc/63/03/92/1066630392.db2.gz CBHMLDHXRCBWOZ-KGLIPLIRSA-N 0 0 450.320 4.708 20 0 JJADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC001456579322 1066630414 /nfs/dbraw/zinc/63/04/14/1066630414.db2.gz CBHMLDHXRCBWOZ-ZIAGYGMSSA-N 0 0 450.320 4.708 20 0 JJADRN CC1CCN(c2ccc(F)cc2NC(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 ZINC001456581737 1066631584 /nfs/dbraw/zinc/63/15/84/1066631584.db2.gz BCVOTCQWTYHBRG-NRFANRHFSA-N 0 0 456.562 4.532 20 0 JJADRN O=C(Nc1ccccc1OCC(F)F)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001445895693 1066631806 /nfs/dbraw/zinc/63/18/06/1066631806.db2.gz VYPABPNCWQNCCC-UHFFFAOYSA-N 0 0 450.438 4.523 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC001456582452 1066632161 /nfs/dbraw/zinc/63/21/61/1066632161.db2.gz GESCICWEENIRBZ-SXOMAYOGSA-N 0 0 456.586 4.542 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)/C=C/c2ccccc2OC(F)(F)F)ccn1 ZINC001361274995 1066632145 /nfs/dbraw/zinc/63/21/45/1066632145.db2.gz GJJVYXJPFAHWDG-ZHACJKMWSA-N 0 0 457.408 4.784 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2ccccc2C(=O)c2ccc(OC)cc2)C1 ZINC001456582913 1066632332 /nfs/dbraw/zinc/63/23/32/1066632332.db2.gz FQDYVJZRVGTOGO-MHZLTWQESA-N 0 0 451.563 4.900 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCSC[C@H]2CCO)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001445899810 1066632545 /nfs/dbraw/zinc/63/25/45/1066632545.db2.gz KRXXXAJJXKRPAW-MRXNPFEDSA-N 0 0 454.379 4.577 20 0 JJADRN CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc(Oc3ccccc3F)nc2)ccn1 ZINC001361275684 1066632855 /nfs/dbraw/zinc/63/28/55/1066632855.db2.gz LNEYDLMYKYBWQA-UHFFFAOYSA-N 0 0 458.449 4.812 20 0 JJADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2nc([C@H](C)OCC(C)C)no2)c(C)c1 ZINC001361275805 1066632861 /nfs/dbraw/zinc/63/28/61/1066632861.db2.gz XUCAJUYYEIZLPD-FQEVSTJZSA-N 0 0 477.613 4.702 20 0 JJADRN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001445905588 1066632980 /nfs/dbraw/zinc/63/29/80/1066632980.db2.gz AXCGWKAHYOBMGX-UHFFFAOYSA-N 0 0 458.312 4.965 20 0 JJADRN CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-c4cccc(F)c4)s3)cc2)CC1 ZINC001361276922 1066634181 /nfs/dbraw/zinc/63/41/81/1066634181.db2.gz LUOIHQSDKZDMHQ-UHFFFAOYSA-N 0 0 451.567 4.513 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(Cl)c(Cl)cc1N ZINC001445913781 1066634377 /nfs/dbraw/zinc/63/43/77/1066634377.db2.gz WKAWFQFQNPEVIF-UHFFFAOYSA-N 0 0 456.273 4.553 20 0 JJADRN Cc1cc(C(=O)NCc2ccc(O)c(Br)c2)c2ccc(Br)cc2n1 ZINC001445913626 1066634404 /nfs/dbraw/zinc/63/44/04/1066634404.db2.gz TUFWPJYRVJHGDC-UHFFFAOYSA-N 0 0 450.130 4.704 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545979663 1066634478 /nfs/dbraw/zinc/63/44/78/1066634478.db2.gz GGCVBYMVNABEGY-KRWDZBQOSA-N 0 0 472.387 4.904 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001456588079 1066634446 /nfs/dbraw/zinc/63/44/46/1066634446.db2.gz OBRHBVMYDXDMLQ-XMMPIXPASA-N 0 0 458.558 4.930 20 0 JJADRN CC[C@H](CNC(=O)Cc1ccc(OC)c(OC(F)F)c1)Cc1cccc(Br)c1 ZINC001456588173 1066634480 /nfs/dbraw/zinc/63/44/80/1066634480.db2.gz ABMUTCQGQATXIG-AWEZNQCLSA-N 0 0 456.327 4.987 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC001361277520 1066634915 /nfs/dbraw/zinc/63/49/15/1066634915.db2.gz WSESGQKUHKDLCI-PZJWPPBQSA-N 0 0 464.614 4.760 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(CC)c2O)c(Cl)cc1Cl ZINC001456589806 1066635030 /nfs/dbraw/zinc/63/50/30/1066635030.db2.gz NQKZZZFVKOSKBI-LBPRGKRZSA-N 0 0 459.395 4.981 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361277789 1066635356 /nfs/dbraw/zinc/63/53/56/1066635356.db2.gz FHIMMBUCFXKTFC-FQEVSTJZSA-N 0 0 480.588 4.590 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361278133 1066635392 /nfs/dbraw/zinc/63/53/92/1066635392.db2.gz OOTHXTUOFBRHCA-UXHICEINSA-N 0 0 494.615 4.884 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC001456592627 1066635523 /nfs/dbraw/zinc/63/55/23/1066635523.db2.gz JALVZFAGQREQPU-AMGIVPHBSA-N 0 0 450.579 4.518 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001445927160 1066635569 /nfs/dbraw/zinc/63/55/69/1066635569.db2.gz HXZOABLJJWLEHH-RUZDIDTESA-N 0 0 459.615 4.970 20 0 JJADRN O=C(Cc1nc(C2CCCCC2)cs1)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001445924395 1066635591 /nfs/dbraw/zinc/63/55/91/1066635591.db2.gz UHWSJAPRWIJMCP-INIZCTEOSA-N 0 0 456.530 4.599 20 0 JJADRN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)C1 ZINC001456591262 1066635572 /nfs/dbraw/zinc/63/55/72/1066635572.db2.gz MBLFWLYFSCESHR-JOCHJYFZSA-N 0 0 452.473 4.933 20 0 JJADRN O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001456591047 1066635585 /nfs/dbraw/zinc/63/55/85/1066635585.db2.gz SDHASNDLTITSDI-UHFFFAOYSA-N 0 0 453.789 4.973 20 0 JJADRN CC[C@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Cc1cccc(Br)c1 ZINC001456593014 1066636123 /nfs/dbraw/zinc/63/61/23/1066636123.db2.gz DIZDPFAUGSGNPZ-NYHFZMIOSA-N 0 0 459.409 4.763 20 0 JJADRN CC[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Cc1cccc(Br)c1 ZINC001456593059 1066636163 /nfs/dbraw/zinc/63/61/63/1066636163.db2.gz DIZDPFAUGSGNPZ-QRQCRPRQSA-N 0 0 459.409 4.763 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)OC ZINC001545979800 1066636195 /nfs/dbraw/zinc/63/61/95/1066636195.db2.gz IPIHEPPPHGHKSV-JPYJTQIMSA-N 0 0 493.530 4.555 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(C)(C)CCCc3ccccc3)CC2)c(C)c1 ZINC001456593322 1066636215 /nfs/dbraw/zinc/63/62/15/1066636215.db2.gz GOISAEKFESYUFB-QHCPKHFHSA-N 0 0 450.623 4.791 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 ZINC001456593330 1066636224 /nfs/dbraw/zinc/63/62/24/1066636224.db2.gz GOKKMFDBIYCAMI-GOSISDBHSA-N 0 0 452.501 4.710 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001456596241 1066636594 /nfs/dbraw/zinc/63/65/94/1066636594.db2.gz WFSYORTYVVUJCM-UHFFFAOYSA-N 0 0 453.739 4.953 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1)C1CC1 ZINC001456596249 1066636663 /nfs/dbraw/zinc/63/66/63/1066636663.db2.gz VFPPZQJSLGFVPO-UHFFFAOYSA-N 0 0 456.468 4.713 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC001456596187 1066636769 /nfs/dbraw/zinc/63/67/69/1066636769.db2.gz OXEJBDUHMXDZLJ-UHFFFAOYSA-N 0 0 453.546 4.597 20 0 JJADRN Cc1c(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)cnn1-c1cccc(Br)c1 ZINC001456593747 1066636791 /nfs/dbraw/zinc/63/67/91/1066636791.db2.gz BSXZBWMTAAHTOJ-LJQANCHMSA-N 0 0 456.340 4.790 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCC(F)F)cc1 ZINC001361280404 1066637452 /nfs/dbraw/zinc/63/74/52/1066637452.db2.gz DNKCTDYLTGVNKI-IBGZPJMESA-N 0 0 463.573 4.841 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)Oc1ccccc1F ZINC001545979934 1066637550 /nfs/dbraw/zinc/63/75/50/1066637550.db2.gz LEPDIMWGLQRCQQ-LZJOCLMNSA-N 0 0 493.505 4.801 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@H](COCc1ccccc1)c1ccccc1)c1c(F)cccc1F ZINC001456598801 1066638077 /nfs/dbraw/zinc/63/80/77/1066638077.db2.gz XSGVEYDHVSBDEM-BJKOFHAPSA-N 0 0 452.501 4.606 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCC2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361280737 1066638027 /nfs/dbraw/zinc/63/80/27/1066638027.db2.gz NAUFYVCPGXPKFB-UHFFFAOYSA-N 0 0 476.547 4.830 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC001445942969 1066638115 /nfs/dbraw/zinc/63/81/15/1066638115.db2.gz ZGZLNHOXRRIRCZ-GVGLZRGFSA-N 0 0 451.607 4.812 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)CC1=O ZINC001456601144 1066638728 /nfs/dbraw/zinc/63/87/28/1066638728.db2.gz UGVGRJCNEPNOSG-OWOAZTCBSA-N 0 0 456.627 4.914 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC(C)(C)C2)c(C)c1 ZINC001361281198 1066638760 /nfs/dbraw/zinc/63/87/60/1066638760.db2.gz BIFVXOZDUZJRSP-JOCHJYFZSA-N 0 0 483.657 4.673 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001361281190 1066638771 /nfs/dbraw/zinc/63/87/71/1066638771.db2.gz BHPRAGQACVOJBL-GIVPXCGWSA-N 0 0 457.594 4.544 20 0 JJADRN CC[C@@H](CNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)Cc1cccc(Br)c1 ZINC001456603597 1066639387 /nfs/dbraw/zinc/63/93/87/1066639387.db2.gz MYEMKLSWMUCXCZ-VRVYILLGSA-N 0 0 452.433 4.888 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2c(F)cc(Br)cc2C1)C(C)(C)C ZINC001445953496 1066639453 /nfs/dbraw/zinc/63/94/53/1066639453.db2.gz RLWNNPLGSGNFSI-KRWDZBQOSA-N 0 0 457.384 4.802 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)N(Cc1ccccc1Br)C1CCCC1)NC(N)=O ZINC001445949978 1066639498 /nfs/dbraw/zinc/63/94/98/1066639498.db2.gz ZLSWGRUSHBJSAP-OAQYLSRUSA-N 0 0 458.400 4.828 20 0 JJADRN CC(C)C(=O)Nc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001445950524 1066639589 /nfs/dbraw/zinc/63/95/89/1066639589.db2.gz ZPKFNUXDPROTQC-BODNZJIQSA-N 0 0 454.954 4.934 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](C(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361282260 1066640036 /nfs/dbraw/zinc/64/00/36/1066640036.db2.gz QUKBHHDIELZOLS-MJGOQNOKSA-N 0 0 452.521 4.562 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC2CC(F)C2)cc1 ZINC001361282394 1066640216 /nfs/dbraw/zinc/64/02/16/1066640216.db2.gz SBAJYOCUMPUNKP-UHFFFAOYSA-N 0 0 471.621 4.934 20 0 JJADRN CC(C)(C(=O)N1CCc2cc(Br)c(F)cc2C1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001456605898 1066640818 /nfs/dbraw/zinc/64/08/18/1066640818.db2.gz MQUCWESWZAUTSJ-JKSUJKDBSA-N 0 0 451.302 4.572 20 0 JJADRN Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCSC[C@@H]2C)c(F)c1 ZINC001361282739 1066640834 /nfs/dbraw/zinc/64/08/34/1066640834.db2.gz VZCHMYYLKJCMGF-SFHVURJKSA-N 0 0 489.661 4.830 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1)Oc1ccccc1F ZINC001545980121 1066641073 /nfs/dbraw/zinc/64/10/73/1066641073.db2.gz PBSOZUVUJYDTFI-CEXWTWQISA-N 0 0 455.603 4.975 20 0 JJADRN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NCCCNC(=O)c3cccc(O)c3)c2C1 ZINC001445971142 1066641134 /nfs/dbraw/zinc/64/11/34/1066641134.db2.gz SQZVYCYSNWLNPX-IBGZPJMESA-N 0 0 459.590 4.641 20 0 JJADRN CCCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456607084 1066641582 /nfs/dbraw/zinc/64/15/82/1066641582.db2.gz SJOHSTFPDIZXKN-VWLOTQADSA-N 0 0 454.567 4.585 20 0 JJADRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC001445979564 1066641530 /nfs/dbraw/zinc/64/15/30/1066641530.db2.gz ALQLLCUVMWSKLK-MRXNPFEDSA-N 0 0 458.356 4.608 20 0 JJADRN O=C(Nc1cc(C(=O)NCCc2nnc(-c3ccccc3)o2)ccc1Cl)c1cccs1 ZINC001445985641 1066641646 /nfs/dbraw/zinc/64/16/46/1066641646.db2.gz MMUVUQKNUFVKLN-UHFFFAOYSA-N 0 0 452.923 4.676 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(O[C@H]2CCOC2)c1 ZINC001361284398 1066642372 /nfs/dbraw/zinc/64/23/72/1066642372.db2.gz FHJWGICDUGETFW-ZVDOUQERSA-N 0 0 458.672 4.721 20 0 JJADRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C1 ZINC001456609682 1066642334 /nfs/dbraw/zinc/64/23/34/1066642334.db2.gz PZCONNLPZXBBIL-JXXFODFXSA-N 0 0 456.391 4.586 20 0 JJADRN Cc1ccc2[nH]c(C(=O)NCc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2c1C ZINC001445994294 1066642584 /nfs/dbraw/zinc/64/25/84/1066642584.db2.gz IWOSQIFIPVPHLV-UHFFFAOYSA-N 0 0 451.523 4.655 20 0 JJADRN Cc1c2cc(F)ccc2sc1C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001456610490 1066642914 /nfs/dbraw/zinc/64/29/14/1066642914.db2.gz YDTBVKDWVBXWEA-GOSISDBHSA-N 0 0 454.567 4.718 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)cc2Br)on1 ZINC001446000231 1066643085 /nfs/dbraw/zinc/64/30/85/1066643085.db2.gz LTEFAOGJZBAVJI-HNNXBMFYSA-N 0 0 459.340 4.733 20 0 JJADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)CC2)cc1 ZINC001361285150 1066643774 /nfs/dbraw/zinc/64/37/74/1066643774.db2.gz RKQKTULXEZUDAL-SIKLNZKXSA-N 0 0 469.630 4.570 20 0 JJADRN C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)Nc1ccc(I)c(Cl)c1 ZINC001456615162 1066644357 /nfs/dbraw/zinc/64/43/57/1066644357.db2.gz ANBVUSLKLZOZLU-GVXVVHGQSA-N 0 0 458.731 4.551 20 0 JJADRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001446004000 1066644800 /nfs/dbraw/zinc/64/48/00/1066644800.db2.gz VBUWNQASCYGLRN-CQSZACIVSA-N 0 0 457.324 4.703 20 0 JJADRN C[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446006016 1066644875 /nfs/dbraw/zinc/64/48/75/1066644875.db2.gz VBHUVSAJDBYLFP-HNNXBMFYSA-N 0 0 451.792 4.651 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC001446012927 1066645078 /nfs/dbraw/zinc/64/50/78/1066645078.db2.gz LGKDFTUMUZROEM-FPOVZHCZSA-N 0 0 457.979 4.798 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456615526 1066644864 /nfs/dbraw/zinc/64/48/64/1066644864.db2.gz DEXIBRJUWPUYQK-JFIYKMOQSA-N 0 0 458.521 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(-c3ccccc3)cc1)CCO2 ZINC001456615564 1066644911 /nfs/dbraw/zinc/64/49/11/1066644911.db2.gz OVHKSNXJXYSJCC-UHFFFAOYSA-N 0 0 450.579 4.525 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)s2)cc1 ZINC001446014129 1066645701 /nfs/dbraw/zinc/64/57/01/1066645701.db2.gz MPXUSHZQRKNVQW-HKUYNNGSSA-N 0 0 458.605 4.543 20 0 JJADRN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001446013679 1066645858 /nfs/dbraw/zinc/64/58/58/1066645858.db2.gz PIGKZCRRSJUYRQ-UHFFFAOYSA-N 0 0 459.262 4.561 20 0 JJADRN C[C@@H]1CN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456618157 1066646327 /nfs/dbraw/zinc/64/63/27/1066646327.db2.gz JAOUOLDDBNICLP-ZIAGYGMSSA-N 0 0 451.539 4.711 20 0 JJADRN O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(CCC(F)(F)F)cc1 ZINC001361287984 1066646266 /nfs/dbraw/zinc/64/62/66/1066646266.db2.gz BQPOTBVKXKWVLI-KRWDZBQOSA-N 0 0 458.402 4.731 20 0 JJADRN COc1cc(C(=O)NCC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)ccc1OC(F)F ZINC001446016182 1066646528 /nfs/dbraw/zinc/64/65/28/1066646528.db2.gz IJTDKVFNAQNLHA-DDNJPHGJSA-N 0 0 458.505 4.511 20 0 JJADRN CCCCC[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001446019283 1066646534 /nfs/dbraw/zinc/64/65/34/1066646534.db2.gz YPXWNIRKQHCQFF-AWEZNQCLSA-N 0 0 454.942 4.599 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC001456619888 1066647078 /nfs/dbraw/zinc/64/70/78/1066647078.db2.gz VFAXMKHZUTTWPO-GOSISDBHSA-N 0 0 454.739 4.938 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001456619864 1066647119 /nfs/dbraw/zinc/64/71/19/1066647119.db2.gz TZSZDEJQLBXTMA-CYBMUJFWSA-N 0 0 456.494 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)CC1 ZINC001456620016 1066647147 /nfs/dbraw/zinc/64/71/47/1066647147.db2.gz OASZCAGNIFTGQS-YKSBVNFPSA-N 0 0 456.627 4.966 20 0 JJADRN Cc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1I ZINC000033231116 1066647018 /nfs/dbraw/zinc/64/70/18/1066647018.db2.gz UJMHBEOGGHYBJC-UHFFFAOYSA-N 0 0 489.382 4.867 20 0 JJADRN COc1cc(F)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC001446022582 1066647073 /nfs/dbraw/zinc/64/70/73/1066647073.db2.gz XBQXYQXNLNWWNC-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN Cc1noc(C)c1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOc1ccccc1C ZINC001492598493 1066647916 /nfs/dbraw/zinc/64/79/16/1066647916.db2.gz NOASJUVPKBOGLZ-UHFFFAOYSA-N 0 0 466.973 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)CC1 ZINC001456622633 1066648457 /nfs/dbraw/zinc/64/84/57/1066648457.db2.gz URVIEAZUNFVJTF-MRXNPFEDSA-N 0 0 455.521 4.990 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CC(Cc3ccc(Br)cc3)C2)CC1 ZINC001456622827 1066648501 /nfs/dbraw/zinc/64/85/01/1066648501.db2.gz FTCAIGRIBPNYAK-UAPYVXQJSA-N 0 0 451.405 4.534 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C ZINC001492598649 1066648417 /nfs/dbraw/zinc/64/84/17/1066648417.db2.gz NSVUKOXRIMLIMF-QFIPXVFZSA-N 0 0 454.640 4.959 20 0 JJADRN O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001446032142 1066648589 /nfs/dbraw/zinc/64/85/89/1066648589.db2.gz KDGNCVLIZVSFBK-QFIPXVFZSA-N 0 0 450.485 4.988 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(CC[C@H](O)c4ccccc4)c3)CC(=O)N2C)cc1 ZINC001446034275 1066648688 /nfs/dbraw/zinc/64/86/88/1066648688.db2.gz JGWNVVMEOSQGAG-OHSXHVKISA-N 0 0 458.558 4.520 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCC1 ZINC001492598699 1066648664 /nfs/dbraw/zinc/64/86/64/1066648664.db2.gz OZEJLMUPUOZKHP-UHFFFAOYSA-N 0 0 488.430 4.555 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccncc1Cl ZINC001492598698 1066648672 /nfs/dbraw/zinc/64/86/72/1066648672.db2.gz OYWUKQKAQJOIKO-UHFFFAOYSA-N 0 0 450.974 4.594 20 0 JJADRN Cn1cc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c(C(F)(F)F)c1 ZINC001456624952 1066648990 /nfs/dbraw/zinc/64/89/90/1066648990.db2.gz WGWZVXDPAKYIDM-INIZCTEOSA-N 0 0 457.537 4.933 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001492598931 1066649093 /nfs/dbraw/zinc/64/90/93/1066649093.db2.gz RNXDXLHLTLPFTE-OAQYLSRUSA-N 0 0 466.605 4.503 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1 ZINC001492599405 1066649730 /nfs/dbraw/zinc/64/97/30/1066649730.db2.gz ZBBJTKCXNACONP-UHFFFAOYSA-N 0 0 463.611 4.577 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001492599412 1066649928 /nfs/dbraw/zinc/64/99/28/1066649928.db2.gz WWDMIKGVFQRRFE-QZNHQXDQSA-N 0 0 499.656 4.647 20 0 JJADRN C[C@@H]1CN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456629841 1066650740 /nfs/dbraw/zinc/65/07/40/1066650740.db2.gz BQOVVSMKFWRXEF-NVXWUHKLSA-N 0 0 456.505 4.527 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001492599708 1066651240 /nfs/dbraw/zinc/65/12/40/1066651240.db2.gz APJYNUKTJYOYKH-QGZVFWFLSA-N 0 0 475.387 4.551 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001492600012 1066651921 /nfs/dbraw/zinc/65/19/21/1066651921.db2.gz GVTQKFXTNUMQLV-NNXSRULWSA-N 0 0 456.631 4.588 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1F ZINC001446049588 1066652041 /nfs/dbraw/zinc/65/20/41/1066652041.db2.gz PCTHRGWDEAYIPY-LMKMVOKYSA-N 0 0 453.514 4.776 20 0 JJADRN CC[C@](C)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1nccs1 ZINC001456632155 1066652185 /nfs/dbraw/zinc/65/21/85/1066652185.db2.gz YBIPGOILZVRUEB-VFNWGFHPSA-N 0 0 453.008 4.897 20 0 JJADRN CC[C@@](C)(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1nccs1 ZINC001456632152 1066652219 /nfs/dbraw/zinc/65/22/19/1066652219.db2.gz YBIPGOILZVRUEB-QVKFZJNVSA-N 0 0 453.008 4.897 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 ZINC001446053326 1066652664 /nfs/dbraw/zinc/65/26/64/1066652664.db2.gz YBNGTARMORMYEY-MBSDFSHPSA-N 0 0 454.530 4.648 20 0 JJADRN C[C@@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1nc(-c2ccc(Br)cc2)no1 ZINC001446054196 1066652671 /nfs/dbraw/zinc/65/26/71/1066652671.db2.gz ZSCLMHBJSUGFIN-CYBMUJFWSA-N 0 0 453.296 4.569 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccnc(O[C@H](C)CC(C)C)c3)C2)c1 ZINC001456634572 1066652709 /nfs/dbraw/zinc/65/27/09/1066652709.db2.gz ADMHFJHNGDQXIZ-FYYLOGMGSA-N 0 0 451.611 4.680 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456634924 1066652721 /nfs/dbraw/zinc/65/27/21/1066652721.db2.gz PFMRMRUBUNWNNY-SJLPKXTDSA-N 0 0 468.985 4.912 20 0 JJADRN CCC[C@@H](C)N(C(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)c1nc(C)c(C(=O)OCC)s1 ZINC001456633914 1066652924 /nfs/dbraw/zinc/65/29/24/1066652924.db2.gz ANCNDHBHZMFINF-UZLBHIALSA-N 0 0 457.596 4.960 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001492600445 1066653281 /nfs/dbraw/zinc/65/32/81/1066653281.db2.gz NDOSRMBOBPWOQD-NQIIRXRSSA-N 0 0 469.630 4.625 20 0 JJADRN Cc1ccc(OC(F)F)c(CNC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC001446065206 1066654037 /nfs/dbraw/zinc/65/40/37/1066654037.db2.gz JDPIUEIQFHNTJL-INIZCTEOSA-N 0 0 451.470 4.586 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492600838 1066654497 /nfs/dbraw/zinc/65/44/97/1066654497.db2.gz RUNOEQRGCRIDGS-QFIPXVFZSA-N 0 0 492.624 4.611 20 0 JJADRN CS[C@@H](CO)[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001446070693 1066654609 /nfs/dbraw/zinc/65/46/09/1066654609.db2.gz CQHZGMWQWPXWPE-HXOBKFHXSA-N 0 0 450.560 4.573 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001446068127 1066654658 /nfs/dbraw/zinc/65/46/58/1066654658.db2.gz MWIFQDGETMBBJZ-MSOLQXFVSA-N 0 0 451.007 4.540 20 0 JJADRN Nc1c(I)cccc1C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC001446067008 1066654723 /nfs/dbraw/zinc/65/47/23/1066654723.db2.gz GCCHJXCEODZYMI-UHFFFAOYSA-N 0 0 452.311 4.640 20 0 JJADRN CCC[C@@H](C)N(C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)c1nc(C)c(C(=O)OCC)s1 ZINC001456640243 1066655412 /nfs/dbraw/zinc/65/54/12/1066655412.db2.gz NIERITBSZYRBSI-ZBFHGGJFSA-N 0 0 455.621 4.795 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccnc(O[C@@H](C)CC(C)C)c3)CCCC2)cc1 ZINC001456643201 1066655443 /nfs/dbraw/zinc/65/54/43/1066655443.db2.gz JYRALGOFUJNBKM-FQEVSTJZSA-N 0 0 458.624 4.606 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(=Cc4ccccc4F)CC3)nc2C1 ZINC001446074394 1066655407 /nfs/dbraw/zinc/65/54/07/1066655407.db2.gz SYYNDHLWFSUZHJ-UHFFFAOYSA-N 0 0 451.542 4.834 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2ccccc2CSc2nc(C)cs2)ccc1OCCO ZINC001446074520 1066655510 /nfs/dbraw/zinc/65/55/10/1066655510.db2.gz SETKFLFCPDNAQN-INIZCTEOSA-N 0 0 458.605 4.615 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C2CCCCC2)CCO1 ZINC001546084063 1066655530 /nfs/dbraw/zinc/65/55/30/1066655530.db2.gz XGGKFBRMZZHUGN-DFHRPNOPSA-N 0 0 497.684 4.831 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCCO1 ZINC001492601475 1066655775 /nfs/dbraw/zinc/65/57/75/1066655775.db2.gz CUCPQYHIDDCFNH-RQNQAMLKSA-N 0 0 456.631 4.589 20 0 JJADRN Cc1ccccc1OCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001492601216 1066655834 /nfs/dbraw/zinc/65/58/34/1066655834.db2.gz YSVPTXLYXIETDC-LJQANCHMSA-N 0 0 493.599 4.781 20 0 JJADRN Cc1ccccc1OCCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001492601219 1066655876 /nfs/dbraw/zinc/65/58/76/1066655876.db2.gz YUGGPDBSXYJJMP-UHFFFAOYSA-N 0 0 494.640 4.886 20 0 JJADRN CCOc1cccc(CNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)c1OC(F)F ZINC001446076574 1066656035 /nfs/dbraw/zinc/65/60/35/1066656035.db2.gz UYESPBABBUOQLW-KRWDZBQOSA-N 0 0 459.276 4.803 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C ZINC001492601709 1066656334 /nfs/dbraw/zinc/65/63/34/1066656334.db2.gz HJECXUOAXMVBQL-AERZDHHNSA-N 0 0 470.658 4.571 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)n1 ZINC001446083861 1066656845 /nfs/dbraw/zinc/65/68/45/1066656845.db2.gz FPEFYUPCKKQLOA-MRXNPFEDSA-N 0 0 454.637 4.707 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cnc(-c4ccccc4Cl)s3)C2)c1 ZINC001446084612 1066656908 /nfs/dbraw/zinc/65/69/08/1066656908.db2.gz DUXSKBUOLQMSJS-HNNXBMFYSA-N 0 0 457.983 4.737 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)nnc1-c1ccccc1 ZINC001456644355 1066656729 /nfs/dbraw/zinc/65/67/29/1066656729.db2.gz BUIHFBWQCYYRAN-UTKZUKDTSA-N 0 0 452.580 4.815 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)nnc1-c1ccccc1 ZINC001456644360 1066656746 /nfs/dbraw/zinc/65/67/46/1066656746.db2.gz BUIHFBWQCYYRAN-UWJYYQICSA-N 0 0 452.580 4.815 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001456645473 1066656851 /nfs/dbraw/zinc/65/68/51/1066656851.db2.gz ZIPDYXKMYQZFNG-UHFFFAOYSA-N 0 0 450.343 4.989 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492601856 1066657070 /nfs/dbraw/zinc/65/70/70/1066657070.db2.gz IFUCJRLHZATAJX-NRFANRHFSA-N 0 0 494.640 4.507 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc(C)c(C(=O)OCC)s1 ZINC001456646567 1066657482 /nfs/dbraw/zinc/65/74/82/1066657482.db2.gz ZGTOPEWEXMLZJW-GFCCVEGCSA-N 0 0 459.490 4.800 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC001446085733 1066657543 /nfs/dbraw/zinc/65/75/43/1066657543.db2.gz IULRBTQWWDOYDO-AEFFLSMTSA-N 0 0 450.501 4.544 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@H]2CCCOC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492602100 1066657657 /nfs/dbraw/zinc/65/76/57/1066657657.db2.gz MZJXXGIIOKWXHT-KOENEWCDSA-N 0 0 470.658 4.980 20 0 JJADRN COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 ZINC001456649607 1066657992 /nfs/dbraw/zinc/65/79/92/1066657992.db2.gz WMIIEVPQIQTLDJ-QHCPKHFHSA-N 0 0 459.631 4.882 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1C ZINC001456649656 1066658103 /nfs/dbraw/zinc/65/81/03/1066658103.db2.gz WUXHVHPMPLZHEV-VQTJNVASSA-N 0 0 464.425 4.538 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC001446087373 1066658208 /nfs/dbraw/zinc/65/82/08/1066658208.db2.gz NCCAVWUVMJGEIF-UHFFFAOYSA-N 0 0 457.518 4.647 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CCCn2nc(C)cc2C)CCO1 ZINC001546084098 1066658629 /nfs/dbraw/zinc/65/86/29/1066658629.db2.gz XTMRNCNQQIIACM-QHCPKHFHSA-N 0 0 487.446 4.617 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001492602766 1066659027 /nfs/dbraw/zinc/65/90/27/1066659027.db2.gz UDDOARYMSVHCPQ-IFMALSPDSA-N 0 0 499.656 4.600 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nccc(C(F)F)n2)CCO1 ZINC001546084115 1066659324 /nfs/dbraw/zinc/65/93/24/1066659324.db2.gz YCCBLPGEJZJGQM-CMJOXMDJSA-N 0 0 492.958 4.853 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001456653340 1066659461 /nfs/dbraw/zinc/65/94/61/1066659461.db2.gz DRXNPKMRXAPLPJ-QHAWAJNXSA-N 0 0 479.662 4.566 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492602942 1066659624 /nfs/dbraw/zinc/65/96/24/1066659624.db2.gz ZPKWNGNQRUKQNM-UHFFFAOYSA-N 0 0 451.518 4.578 20 0 JJADRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001456654163 1066659972 /nfs/dbraw/zinc/65/99/72/1066659972.db2.gz ATOGJSJBGBMQOS-UHFFFAOYSA-N 0 0 450.988 4.619 20 0 JJADRN Cc1cccnc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001492603444 1066660026 /nfs/dbraw/zinc/66/00/26/1066660026.db2.gz NLVGEIXDLYEAGT-QGZVFWFLSA-N 0 0 494.949 4.508 20 0 JJADRN Cc1sc(NC(=O)[C@@H]2CCCN2Cc2ccccn2)nc1-c1ccc(Br)cc1 ZINC001446098356 1066660070 /nfs/dbraw/zinc/66/00/70/1066660070.db2.gz PDJMCPYREFTPLQ-SFHVURJKSA-N 0 0 457.397 4.879 20 0 JJADRN C[C@](O)(C(=O)Nc1nc(-c2c(F)cccc2F)cs1)c1ccc(F)c(Br)c1 ZINC001446101652 1066660183 /nfs/dbraw/zinc/66/01/83/1066660183.db2.gz SBFQCZJHCVFBJU-GOSISDBHSA-N 0 0 457.271 4.836 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001456659012 1066661235 /nfs/dbraw/zinc/66/12/35/1066661235.db2.gz IUFRLPDGQAUOSR-RPWUZVMVSA-N 0 0 452.551 4.510 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001492604775 1066661253 /nfs/dbraw/zinc/66/12/53/1066661253.db2.gz FIBMQNZNMWSOJE-LJQANCHMSA-N 0 0 481.044 4.727 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CCOCC1 ZINC001492604795 1066661268 /nfs/dbraw/zinc/66/12/68/1066661268.db2.gz FRYNPXWZOJKUAW-UHFFFAOYSA-N 0 0 470.415 4.712 20 0 JJADRN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001492604774 1066661367 /nfs/dbraw/zinc/66/13/67/1066661367.db2.gz FIBMQNZNMWSOJE-IBGZPJMESA-N 0 0 481.044 4.727 20 0 JJADRN Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 ZINC001456660216 1066661908 /nfs/dbraw/zinc/66/19/08/1066661908.db2.gz FLEKLRRTFLYIBA-IBGZPJMESA-N 0 0 450.398 4.919 20 0 JJADRN Cc1ccc(NC(=O)C2(CCCOCc3ccccc3)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC001456661307 1066661939 /nfs/dbraw/zinc/66/19/39/1066661939.db2.gz HZJNRTNJSOMMRC-UHFFFAOYSA-N 0 0 458.624 4.788 20 0 JJADRN Cc1ccccc1OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C ZINC001492604565 1066662117 /nfs/dbraw/zinc/66/21/17/1066662117.db2.gz WWXFZLILUCAKBO-NRSPTQNISA-N 0 0 469.630 4.972 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001446112610 1066662140 /nfs/dbraw/zinc/66/21/40/1066662140.db2.gz VCKFXFYNWBANCA-QKYYUXOMSA-N 0 0 454.517 4.878 20 0 JJADRN O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001446112607 1066662201 /nfs/dbraw/zinc/66/22/01/1066662201.db2.gz VCKFXFYNWBANCA-QFVADWCQSA-N 0 0 454.517 4.878 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001446112404 1066662211 /nfs/dbraw/zinc/66/22/11/1066662211.db2.gz KWAGXWIBYQYABY-PKOBYXMFSA-N 0 0 456.587 4.550 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2ncc(C)s2)CCO1 ZINC001546084187 1066662508 /nfs/dbraw/zinc/66/25/08/1066662508.db2.gz YZTWLJDOPWCAIF-SPLOXXLWSA-N 0 0 493.475 4.620 20 0 JJADRN CCn1c(SCC(=O)N(c2cccc(F)c2)C2CCOCC2)nnc1-c1cccc(C)c1 ZINC001456664141 1066662512 /nfs/dbraw/zinc/66/25/12/1066662512.db2.gz AWRYZOSWZRGYJH-UHFFFAOYSA-N 0 0 454.571 4.717 20 0 JJADRN Cc1ccccc1OCCn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492604570 1066662520 /nfs/dbraw/zinc/66/25/20/1066662520.db2.gz WYIXOJXGTATSRZ-UNMCSNQZSA-N 0 0 483.657 4.748 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC001446129229 1066662595 /nfs/dbraw/zinc/66/25/95/1066662595.db2.gz PLMKTVBOAGCFEA-UHFFFAOYSA-N 0 0 451.520 4.799 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC001456668304 1066663216 /nfs/dbraw/zinc/66/32/16/1066663216.db2.gz FZAUPSPLDFVQEV-KRWDZBQOSA-N 0 0 453.539 4.533 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 ZINC001456667109 1066663245 /nfs/dbraw/zinc/66/32/45/1066663245.db2.gz XIFFDJGEKXCOJE-UHFFFAOYSA-N 0 0 452.576 4.857 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H]2C[C@H]21 ZINC001456671037 1066663814 /nfs/dbraw/zinc/66/38/14/1066663814.db2.gz KTXQJLJIEHLNPE-UONOGXRCSA-N 0 0 454.379 4.951 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccsc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492606431 1066663794 /nfs/dbraw/zinc/66/37/94/1066663794.db2.gz GJWIDUNJJLOGMB-UHFFFAOYSA-N 0 0 496.681 4.765 20 0 JJADRN CC(C)(C)c1nnc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c32)s1 ZINC001446136557 1066663869 /nfs/dbraw/zinc/66/38/69/1066663869.db2.gz HIZBFWRYXCVICX-UHFFFAOYSA-N 0 0 455.634 4.916 20 0 JJADRN O=C(c1cc(Br)c(Br)[nH]1)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001456675148 1066664393 /nfs/dbraw/zinc/66/43/93/1066664393.db2.gz LNLVAPSIVRDBJK-UHFFFAOYSA-N 0 0 459.207 4.505 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1 ZINC001456675506 1066664422 /nfs/dbraw/zinc/66/44/22/1066664422.db2.gz UXPXFVMJQJOYPI-UHFFFAOYSA-N 0 0 459.951 4.526 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Nc3nccs3)cc2F)C1 ZINC001456673721 1066664440 /nfs/dbraw/zinc/66/44/40/1066664440.db2.gz MPWPCEVWVXKTOB-HNNXBMFYSA-N 0 0 454.527 4.525 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492606822 1066665029 /nfs/dbraw/zinc/66/50/29/1066665029.db2.gz UTCAPURZSBQMBH-FUHWJXTLSA-N 0 0 470.415 4.996 20 0 JJADRN Cc1cccnc1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492606967 1066665079 /nfs/dbraw/zinc/66/50/79/1066665079.db2.gz YXFQQWOYSNJESN-HSZRJFAPSA-N 0 0 490.652 4.699 20 0 JJADRN Cc1cccnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492606931 1066665150 /nfs/dbraw/zinc/66/51/50/1066665150.db2.gz XZQGOFXWMQVGJL-UHFFFAOYSA-N 0 0 451.443 4.678 20 0 JJADRN Cc1cccnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CCCO)CC1 ZINC001492606815 1066665199 /nfs/dbraw/zinc/66/51/99/1066665199.db2.gz UJIVTUFILUEPHF-UHFFFAOYSA-N 0 0 490.435 4.905 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 ZINC001446143968 1066665302 /nfs/dbraw/zinc/66/53/02/1066665302.db2.gz WGERRXYXOYFOQV-SIKLNZKXSA-N 0 0 469.557 4.778 20 0 JJADRN CCN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001456683481 1066665852 /nfs/dbraw/zinc/66/58/52/1066665852.db2.gz CUYDBWXWTXDRDI-URXFXBBRSA-N 0 0 450.627 4.928 20 0 JJADRN COc1ccc([C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2)c2ccccc2Cl)cc1 ZINC001456683024 1066665926 /nfs/dbraw/zinc/66/59/26/1066665926.db2.gz ITZMFTIABRXELS-DEOSSOPVSA-N 0 0 454.929 4.904 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC001446144713 1066665987 /nfs/dbraw/zinc/66/59/87/1066665987.db2.gz JXWNPZRILRHZBW-HWPZZCPQSA-N 0 0 459.356 4.811 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001446146078 1066666444 /nfs/dbraw/zinc/66/64/44/1066666444.db2.gz OSDZFZDZYFXOMN-FCHUYYIVSA-N 0 0 455.618 4.774 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 ZINC001492607703 1066667284 /nfs/dbraw/zinc/66/72/84/1066667284.db2.gz WHSNZYLKCLKWAG-NQIIRXRSSA-N 0 0 454.619 4.728 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001446156834 1066667533 /nfs/dbraw/zinc/66/75/33/1066667533.db2.gz GTAQSZDHVCHHQQ-SCLBCKFNSA-N 0 0 454.445 4.642 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCC[C@H]3CC)c2)cc1 ZINC001446162230 1066667539 /nfs/dbraw/zinc/66/75/39/1066667539.db2.gz VGTFSBQWVSATOJ-QVKFZJNVSA-N 0 0 450.988 4.848 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)CCC(C)C)CC2)c1 ZINC001492607790 1066667789 /nfs/dbraw/zinc/66/77/89/1066667789.db2.gz ZTYQLGXGRISALM-AREMUKBSSA-N 0 0 499.059 4.932 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(C)(C)O)c3)CC2)c1 ZINC001492607828 1066667843 /nfs/dbraw/zinc/66/78/43/1066667843.db2.gz GCJLMJJNZAKCQD-UHFFFAOYSA-N 0 0 477.653 4.894 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCC1(c2cccs2)CCCCC1 ZINC001456690329 1066668163 /nfs/dbraw/zinc/66/81/63/1066668163.db2.gz UHEMSZUWUYQGNM-UHFFFAOYSA-N 0 0 451.375 4.669 20 0 JJADRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)c2ccc(Cl)cc21 ZINC001456695086 1066668198 /nfs/dbraw/zinc/66/81/98/1066668198.db2.gz SBAVBIWSVDOOBW-HNNXBMFYSA-N 0 0 457.958 4.749 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccccc3)CC2)c1 ZINC001492608243 1066668549 /nfs/dbraw/zinc/66/85/49/1066668549.db2.gz WBFMRJWPWSTHIF-HHHXNRCGSA-N 0 0 463.626 4.526 20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCO[C@H](C)C3)CC2)c1 ZINC001492608040 1066668571 /nfs/dbraw/zinc/66/85/71/1066668571.db2.gz ORBQCRITKXGBRM-RTWAWAEBSA-N 0 0 455.647 4.823 20 0 JJADRN CCc1c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cnn1-c1ccc(C)cc1 ZINC001456695387 1066668740 /nfs/dbraw/zinc/66/87/40/1066668740.db2.gz UZJLMOBGCWDUDN-KRWDZBQOSA-N 0 0 450.970 4.619 20 0 JJADRN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001456696432 1066668755 /nfs/dbraw/zinc/66/87/55/1066668755.db2.gz YXGNHDAFXXTKTR-UHFFFAOYSA-N 0 0 456.333 4.943 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(OCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001545982165 1066668773 /nfs/dbraw/zinc/66/87/73/1066668773.db2.gz IASLHNHRPYPNAS-NRFANRHFSA-N 0 0 469.630 4.644 20 0 JJADRN CCCN(C(=O)c1nc(-c2cnn(C)c2)oc1C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456697068 1066669500 /nfs/dbraw/zinc/66/95/00/1066669500.db2.gz CSWYVBQSDLWCRV-JOCHJYFZSA-N 0 0 451.477 4.699 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)COC1 ZINC001446185850 1066670360 /nfs/dbraw/zinc/67/03/60/1066670360.db2.gz TWWDCDBXNNEAOK-UHFFFAOYSA-N 0 0 456.930 4.506 20 0 JJADRN CN1CC[C@@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001446186421 1066670376 /nfs/dbraw/zinc/67/03/76/1066670376.db2.gz DZPOXOSIHUMSNS-OFNKIYASSA-N 0 0 459.974 4.619 20 0 JJADRN CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccccc2Cl)C1 ZINC001492609312 1066670422 /nfs/dbraw/zinc/67/04/22/1066670422.db2.gz OKMGFVFXADDKAB-QFIPXVFZSA-N 0 0 490.833 4.764 20 0 JJADRN Cc1ccc(O[C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC=C(C)C2)cc1 ZINC001492609452 1066671076 /nfs/dbraw/zinc/67/10/76/1066671076.db2.gz QFTYXEGSHLCNLF-GOSISDBHSA-N 0 0 470.415 4.978 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N3CC[C@H](C)[C@@H](C)C3)nnc2-c2ccc(C)cc2)cc1 ZINC001446188185 1066671197 /nfs/dbraw/zinc/67/11/97/1066671197.db2.gz QXSALZQPIIZAOM-OALUTQOASA-N 0 0 450.608 4.848 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)NC(=O)OC(C)(C)C ZINC001545982347 1066671869 /nfs/dbraw/zinc/67/18/69/1066671869.db2.gz KRZXTVPKXBJZIY-PBHICJAKSA-N 0 0 461.557 4.861 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545982410 1066671876 /nfs/dbraw/zinc/67/18/76/1066671876.db2.gz LMLSMPSMNRGMLK-UXHICEINSA-N 0 0 487.620 4.988 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC(=O)N(C)c2ccccc21 ZINC001456712721 1066672248 /nfs/dbraw/zinc/67/22/48/1066672248.db2.gz ZWBLVQUEKZVAJR-UHFFFAOYSA-N 0 0 453.951 4.976 20 0 JJADRN CC1=CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001492610452 1066672707 /nfs/dbraw/zinc/67/27/07/1066672707.db2.gz VQRQIIAMYXUGLW-UHFFFAOYSA-N 0 0 474.671 4.740 20 0 JJADRN C[C@@H]1[C@@H](CCC(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)[C@H](C)Nc2ccnn21 ZINC001456718142 1066673670 /nfs/dbraw/zinc/67/36/70/1066673670.db2.gz GUHLKKKZSDOKPM-SCTDSRPQSA-N 0 0 453.587 4.586 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2ccccc2F)C1 ZINC001492611433 1066674279 /nfs/dbraw/zinc/67/42/79/1066674279.db2.gz AZXPDXZXOGZLIP-QFIPXVFZSA-N 0 0 485.604 4.515 20 0 JJADRN CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOc2ccccc2)C1 ZINC001492611651 1066674310 /nfs/dbraw/zinc/67/43/10/1066674310.db2.gz HSUHWGRWYFKDRH-UHFFFAOYSA-N 0 0 467.614 4.628 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001492612249 1066674337 /nfs/dbraw/zinc/67/43/37/1066674337.db2.gz YTTRDTZKRVUXSS-UHFFFAOYSA-N 0 0 481.975 4.839 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC)[C@H](C)C2)cc1OCCC ZINC001446195348 1066674333 /nfs/dbraw/zinc/67/43/33/1066674333.db2.gz NMCXYSYXBKMPCK-HXUWFJFHSA-N 0 0 452.595 4.661 20 0 JJADRN CC[C@@H]1CCCc2sc(NC(=O)Cc3csc(NC(=O)c4cc(C)ccc4O)n3)nc21 ZINC001456725185 1066674526 /nfs/dbraw/zinc/67/45/26/1066674526.db2.gz RLGQTPRDGKHUOR-CYBMUJFWSA-N 0 0 456.593 4.877 20 0 JJADRN C[C@H](C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)c1c(Cl)cccc1Cl ZINC001456725114 1066674540 /nfs/dbraw/zinc/67/45/40/1066674540.db2.gz IEDQKRXDIPWITG-NSHDSACASA-N 0 0 450.771 4.812 20 0 JJADRN Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC001456723093 1066674546 /nfs/dbraw/zinc/67/45/46/1066674546.db2.gz FNKOPIPRZRZCRU-UHFFFAOYSA-N 0 0 453.347 4.526 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](OC)C1 ZINC001446202473 1066674863 /nfs/dbraw/zinc/67/48/63/1066674863.db2.gz ZUZQBIMXCZZHDQ-MHPIHPPYSA-N 0 0 450.579 4.577 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)CC=CCC1 ZINC001456727409 1066675147 /nfs/dbraw/zinc/67/51/47/1066675147.db2.gz NPCDAKRFXBOJPG-VWLOTQADSA-N 0 0 456.539 4.920 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(F)(F)F ZINC001456726802 1066675291 /nfs/dbraw/zinc/67/52/91/1066675291.db2.gz INGHTEHOUIRXFY-OAQYLSRUSA-N 0 0 457.456 4.841 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2CC(C)(C)N2CCOCC2)c1 ZINC001492613185 1066675550 /nfs/dbraw/zinc/67/55/50/1066675550.db2.gz KJWJDUHARCQAJZ-UHFFFAOYSA-N 0 0 467.658 4.556 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001492613280 1066675664 /nfs/dbraw/zinc/67/56/64/1066675664.db2.gz OHODYOGGWSPDED-UHFFFAOYSA-N 0 0 463.630 4.706 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446236813 1066676540 /nfs/dbraw/zinc/67/65/40/1066676540.db2.gz GLOMAZOVGXLKAP-HOCLYGCPSA-N 0 0 452.477 4.852 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001492613865 1066677077 /nfs/dbraw/zinc/67/70/77/1066677077.db2.gz LKUQJRAGNWMWHS-IFMALSPDSA-N 0 0 453.631 4.974 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)cc1 ZINC001446240096 1066677233 /nfs/dbraw/zinc/67/72/33/1066677233.db2.gz JBUZPEFOTZKTTK-UHFFFAOYSA-N 0 0 455.407 4.997 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)c3ccccc3OCC)c2)cc1 ZINC001446238790 1066677243 /nfs/dbraw/zinc/67/72/43/1066677243.db2.gz STMLLRRJPMSNBO-UHFFFAOYSA-N 0 0 454.548 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC[C@H]3CCC(C)(C)c4ccccc43)=NO2)CC1 ZINC001446239198 1066677352 /nfs/dbraw/zinc/67/73/52/1066677352.db2.gz FMEYIDSRWPUFBC-GOSISDBHSA-N 0 0 455.599 4.504 20 0 JJADRN COC(=O)CC1(CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)CCCC1 ZINC001456735047 1066677603 /nfs/dbraw/zinc/67/76/03/1066677603.db2.gz LJMLPAFEUQRDPZ-DEOSSOPVSA-N 0 0 453.579 4.565 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2([S@](C)=O)CCC2)C1 ZINC001492614138 1066677736 /nfs/dbraw/zinc/67/77/36/1066677736.db2.gz VOGOQCFRDLMJJU-PMERELPUSA-N 0 0 469.438 4.622 20 0 JJADRN CCCOc1ccc(C(=O)CNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC001446241974 1066678121 /nfs/dbraw/zinc/67/81/21/1066678121.db2.gz RHORHOZHWHLDJF-QFIPXVFZSA-N 0 0 452.551 4.656 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001446241116 1066678234 /nfs/dbraw/zinc/67/82/34/1066678234.db2.gz VTBYULJTCGQWRM-ICSRJNTNSA-N 0 0 454.514 4.923 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC=C(C)CC2)n1 ZINC001492614151 1066678410 /nfs/dbraw/zinc/67/84/10/1066678410.db2.gz WABPVVXQWXQZSL-GOSISDBHSA-N 0 0 450.612 4.872 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=C(C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001492614292 1066678892 /nfs/dbraw/zinc/67/88/92/1066678892.db2.gz BEPHFFRUAVXBDI-LJQANCHMSA-N 0 0 493.073 4.670 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC=C(C)CC2)cnn1CC(C)C ZINC001492614380 1066678906 /nfs/dbraw/zinc/67/89/06/1066678906.db2.gz DGRFGESUDGHOME-HXUWFJFHSA-N 0 0 452.578 4.923 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492614730 1066678920 /nfs/dbraw/zinc/67/89/20/1066678920.db2.gz NXIKFGVFZTUGJD-CLOONOSVSA-N 0 0 454.546 4.831 20 0 JJADRN Cc1cc(CC(C)(C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1Br ZINC001456740781 1066678904 /nfs/dbraw/zinc/67/89/04/1066678904.db2.gz AFXXSVBJQQGCFM-GOSISDBHSA-N 0 0 453.421 4.746 20 0 JJADRN CC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492614650 1066679681 /nfs/dbraw/zinc/67/96/81/1066679681.db2.gz LSZKPSSDPBNOGV-MOPGFXCFSA-N 0 0 473.593 4.969 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)C(C)(C)c1ccccc1 ZINC001456743349 1066679755 /nfs/dbraw/zinc/67/97/55/1066679755.db2.gz FEYCWYHFHVQVQX-ROKPMTFOSA-N 0 0 456.652 4.839 20 0 JJADRN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001446255113 1066680381 /nfs/dbraw/zinc/68/03/81/1066680381.db2.gz AKEFTYBSWUULEC-AWEZNQCLSA-N 0 0 452.477 4.722 20 0 JJADRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC001456749463 1066680683 /nfs/dbraw/zinc/68/06/83/1066680683.db2.gz JGHWWKOHPMUPRB-SFGWALBWSA-N 0 0 455.396 4.767 20 0 JJADRN CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545982942 1066681288 /nfs/dbraw/zinc/68/12/88/1066681288.db2.gz ULPSYCKMZBOGQG-FPOVZHCZSA-N 0 0 455.603 4.507 20 0 JJADRN CC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001492615481 1066681261 /nfs/dbraw/zinc/68/12/61/1066681261.db2.gz OGZVWAJHXUCDTE-YPCDYVTLSA-N 0 0 460.663 4.705 20 0 JJADRN C[C@H](NC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001446260677 1066681348 /nfs/dbraw/zinc/68/13/48/1066681348.db2.gz SUJKGYGHJHDABT-IKGGRYGDSA-N 0 0 458.521 4.730 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Br)cc3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492615554 1066681641 /nfs/dbraw/zinc/68/16/41/1066681641.db2.gz QPLLHZCFRXOABA-HSZRJFAPSA-N 0 0 471.399 4.982 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](COCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545983025 1066681747 /nfs/dbraw/zinc/68/17/47/1066681747.db2.gz VOGGLACDABTGTL-RBBKRZOGSA-N 0 0 469.630 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=C(C)CC3)n2CCC(=O)N2CCCCC2)cc1Br ZINC001492615531 1066681763 /nfs/dbraw/zinc/68/17/63/1066681763.db2.gz PUFKRUQQHKLSSH-UHFFFAOYSA-N 0 0 472.431 4.575 20 0 JJADRN Cc1ccnc(OC2CCN(C(=O)C[C@H]3CN(C(=O)OC(C)(C)C)c4ccccc43)CC2)c1 ZINC001546084803 1066681891 /nfs/dbraw/zinc/68/18/91/1066681891.db2.gz VZFLJCZUMPQYFK-IBGZPJMESA-N 0 0 451.567 4.689 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001492615634 1066682449 /nfs/dbraw/zinc/68/24/49/1066682449.db2.gz UCSNLGLTEBHAFQ-CRAIPNDOSA-N 0 0 451.434 4.987 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492615638 1066682462 /nfs/dbraw/zinc/68/24/62/1066682462.db2.gz UCYQPJMIBOVSET-IBGZPJMESA-N 0 0 477.613 4.652 20 0 JJADRN CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC001456761423 1066682657 /nfs/dbraw/zinc/68/26/57/1066682657.db2.gz CSZSTWUQVQRDSW-KRWDZBQOSA-N 0 0 452.414 4.774 20 0 JJADRN CC1=CCN(c2nnc(-c3ccccc3Br)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001492616141 1066683144 /nfs/dbraw/zinc/68/31/44/1066683144.db2.gz MOGCOOFXLYBLDB-UHFFFAOYSA-N 0 0 472.431 4.513 20 0 JJADRN Cc1cc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)ccc1OCC(F)(F)F ZINC001456765523 1066683183 /nfs/dbraw/zinc/68/31/83/1066683183.db2.gz KERFVKOCNBOZJS-CYBMUJFWSA-N 0 0 457.246 4.763 20 0 JJADRN Cc1c(Cl)c(C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)sc1S(N)(=O)=O ZINC001446275531 1066683132 /nfs/dbraw/zinc/68/31/32/1066683132.db2.gz QCJKCFWCLZXSFJ-LBPRGKRZSA-N 0 0 452.960 4.654 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456765476 1066683267 /nfs/dbraw/zinc/68/32/67/1066683267.db2.gz IWMQQVJHBVERRB-MRXNPFEDSA-N 0 0 453.852 4.833 20 0 JJADRN CC1=CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001492616359 1066683892 /nfs/dbraw/zinc/68/38/92/1066683892.db2.gz WAGAEOCGDHFKJB-UHFFFAOYSA-N 0 0 451.615 4.572 20 0 JJADRN Cc1ccc([C@H]2CCCCCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001456766897 1066683941 /nfs/dbraw/zinc/68/39/41/1066683941.db2.gz VSJUERBNLYBEOP-HXUWFJFHSA-N 0 0 458.605 4.801 20 0 JJADRN C[C@@H]1COCCN1c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1 ZINC001456767233 1066683969 /nfs/dbraw/zinc/68/39/69/1066683969.db2.gz AYBIPWABSXDBPQ-MRXNPFEDSA-N 0 0 455.352 4.845 20 0 JJADRN COc1cccc(Oc2ncccc2CNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)c1 ZINC001456768310 1066684659 /nfs/dbraw/zinc/68/46/59/1066684659.db2.gz SCSNLDFVAUZXEM-UHFFFAOYSA-N 0 0 454.939 4.772 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c1 ZINC001446279257 1066684574 /nfs/dbraw/zinc/68/45/74/1066684574.db2.gz YIKRSAVJZQQENI-UHFFFAOYSA-N 0 0 456.652 4.855 20 0 JJADRN Cc1ccc(OCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC=C(C)CC2)cc1 ZINC001492617915 1066685139 /nfs/dbraw/zinc/68/51/39/1066685139.db2.gz SMPANYUXYOXFGU-JOCHJYFZSA-N 0 0 481.641 4.936 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001446279491 1066685429 /nfs/dbraw/zinc/68/54/29/1066685429.db2.gz KPEDTIQCUUWQRD-CVEARBPZSA-N 0 0 456.514 4.914 20 0 JJADRN CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001492618068 1066685860 /nfs/dbraw/zinc/68/58/60/1066685860.db2.gz WWEGEPINAVOZCC-PZJWPPBQSA-N 0 0 487.670 4.683 20 0 JJADRN CC1=CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492619018 1066686482 /nfs/dbraw/zinc/68/64/82/1066686482.db2.gz FNYOGIVZALHXIJ-FQEVSTJZSA-N 0 0 464.614 4.693 20 0 JJADRN CC1=CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492619068 1066686530 /nfs/dbraw/zinc/68/65/30/1066686530.db2.gz HGKOTSXNUWIVCY-LJQANCHMSA-N 0 0 464.614 4.667 20 0 JJADRN CC1=CCN(c2nnc(CCCc3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001492619044 1066686620 /nfs/dbraw/zinc/68/66/20/1066686620.db2.gz GQSJHXUXTCIFQS-UHFFFAOYSA-N 0 0 475.584 4.770 20 0 JJADRN CC1=CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001492619225 1066686654 /nfs/dbraw/zinc/68/66/54/1066686654.db2.gz NHHNXNRQPQURFG-UHFFFAOYSA-N 0 0 463.529 4.666 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001446294464 1066686859 /nfs/dbraw/zinc/68/68/59/1066686859.db2.gz DCKSOXMKCXUXKA-HUUCEWRRSA-N 0 0 457.384 4.673 20 0 JJADRN CN(C(=O)c1ccccc1OCc1ccc(Cl)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001456772523 1066686898 /nfs/dbraw/zinc/68/68/98/1066686898.db2.gz UBSAZKTZGFBXOJ-QFIPXVFZSA-N 0 0 452.913 4.936 20 0 JJADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC001456773173 1066687077 /nfs/dbraw/zinc/68/70/77/1066687077.db2.gz UBBJSPJEVJVANK-KRWDZBQOSA-N 0 0 459.587 4.867 20 0 JJADRN O=C(CCCOc1ccc2c(c1)CCCC2)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001456773146 1066687110 /nfs/dbraw/zinc/68/71/10/1066687110.db2.gz DQCRVLYHHYIAMJ-UHFFFAOYSA-N 0 0 456.892 4.987 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C)CC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001492619565 1066687291 /nfs/dbraw/zinc/68/72/91/1066687291.db2.gz ARLOKDPMTLIWHK-UHFFFAOYSA-N 0 0 469.630 4.970 20 0 JJADRN Cc1ccc(OCc2nnc(N3CC=C(C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC001492619707 1066687363 /nfs/dbraw/zinc/68/73/63/1066687363.db2.gz GMESXYOJHWLNFC-LJQANCHMSA-N 0 0 469.630 4.791 20 0 JJADRN CC1=CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OCC(C)C)c2)CC1 ZINC001492619476 1066687398 /nfs/dbraw/zinc/68/73/98/1066687398.db2.gz WOQSREAWFYJADO-UHFFFAOYSA-N 0 0 465.623 4.509 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 ZINC001446298683 1066687648 /nfs/dbraw/zinc/68/76/48/1066687648.db2.gz XRNJMWDGNQCZCM-JOCHJYFZSA-N 0 0 456.995 4.570 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC001446298213 1066687712 /nfs/dbraw/zinc/68/77/12/1066687712.db2.gz XZHZPCUISNGQNF-HSZRJFAPSA-N 0 0 452.599 4.653 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1(C)C ZINC001456777542 1066687836 /nfs/dbraw/zinc/68/78/36/1066687836.db2.gz ITVKCGZGRLVQRB-UXHICEINSA-N 0 0 459.384 4.977 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001446302103 1066688382 /nfs/dbraw/zinc/68/83/82/1066688382.db2.gz UFFZUHYKRZMAHY-UHFFFAOYSA-N 0 0 451.352 4.820 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccnc(N3CCCCCC3)c2)c2ccccc21 ZINC001446298763 1066688392 /nfs/dbraw/zinc/68/83/92/1066688392.db2.gz JBEAOJJRMZXBIL-OAQYLSRUSA-N 0 0 450.583 4.617 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1coc2c1C(=O)NCCC2 ZINC001456780569 1066688629 /nfs/dbraw/zinc/68/86/29/1066688629.db2.gz FHSHETNDGLLEBE-UHFFFAOYSA-N 0 0 452.376 4.881 20 0 JJADRN CCC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001446303857 1066688830 /nfs/dbraw/zinc/68/88/30/1066688830.db2.gz SSPQYRRXOXYROL-HXUWFJFHSA-N 0 0 457.368 4.604 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001456786723 1066689935 /nfs/dbraw/zinc/68/99/35/1066689935.db2.gz KZOKJAGITUUXHC-MRXNPFEDSA-N 0 0 454.514 4.915 20 0 JJADRN Cc1cc(NC(=O)/C=C/c2ccc(I)o2)ccc1OCC(F)(F)F ZINC001456789549 1066690866 /nfs/dbraw/zinc/69/08/66/1066690866.db2.gz VPBYRCURIXUXLM-QPJJXVBHSA-N 0 0 451.182 4.786 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC001446326674 1066691013 /nfs/dbraw/zinc/69/10/13/1066691013.db2.gz VUMHMWIVVHKUEY-QFIPXVFZSA-N 0 0 459.512 4.540 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546084959 1066691709 /nfs/dbraw/zinc/69/17/09/1066691709.db2.gz BCBFSEDLTNKAKP-AYPBNUJASA-N 0 0 495.437 4.913 20 0 JJADRN Cc1ccc(CN(C(=O)c2cnn(C(C)(C)C)c2I)C2CC2)cc1C ZINC001456791662 1066691734 /nfs/dbraw/zinc/69/17/34/1066691734.db2.gz YRWAJWPWJUXTNN-UHFFFAOYSA-N 0 0 451.352 4.664 20 0 JJADRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CC[C@H]1[C@H](C)Nc2ccnn2[C@H]1C ZINC001446332341 1066692005 /nfs/dbraw/zinc/69/20/05/1066692005.db2.gz GCFNMKXHIFEIAC-ULQDDVLXSA-N 0 0 456.978 4.795 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446333211 1066692058 /nfs/dbraw/zinc/69/20/58/1066692058.db2.gz MNUPHBOMDNPYRO-BVGQSLNGSA-N 0 0 451.405 4.662 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(-c4cc(Br)c[nH]4)n3CCSCC(C)C)C2)c1 ZINC001492621493 1066692035 /nfs/dbraw/zinc/69/20/35/1066692035.db2.gz ZHXQHOSYYQFTEV-GOSISDBHSA-N 0 0 492.491 4.771 20 0 JJADRN Cc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)cc1N1CCOCC1 ZINC001456794829 1066692170 /nfs/dbraw/zinc/69/21/70/1066692170.db2.gz AEIYFTDUEXIHRD-UHFFFAOYSA-N 0 0 457.412 4.836 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4cccc(Br)c4)n3CC(C)C)CC2)c1 ZINC001492621710 1066692916 /nfs/dbraw/zinc/69/29/16/1066692916.db2.gz HFSQOCIZWJEKOT-UHFFFAOYSA-N 0 0 457.420 4.785 20 0 JJADRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001446333231 1066692859 /nfs/dbraw/zinc/69/28/59/1066692859.db2.gz MNUPHBOMDNPYRO-JEBQAFNWSA-N 0 0 451.405 4.662 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(C(C)C)n3Cc3ccc(COCC(F)(F)F)cc3)CC2)c1 ZINC001492622075 1066693287 /nfs/dbraw/zinc/69/32/87/1066693287.db2.gz KGPMTJKVLSCRGH-UHFFFAOYSA-N 0 0 490.574 4.950 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)c(Cl)c1 ZINC001456799673 1066693663 /nfs/dbraw/zinc/69/36/63/1066693663.db2.gz JHAUPPQJMGIUKM-IRLDBZIGSA-N 0 0 457.014 4.916 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC001446340299 1066693562 /nfs/dbraw/zinc/69/35/62/1066693562.db2.gz XOEWNHMXQQSIJE-YOEHRIQHSA-N 0 0 452.418 4.644 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)c1nc(-c2nc[nH]n2)no1 ZINC001446339473 1066693618 /nfs/dbraw/zinc/69/36/18/1066693618.db2.gz UOTLLDSWJXVESR-MRXNPFEDSA-N 0 0 451.556 4.619 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001456800237 1066693676 /nfs/dbraw/zinc/69/36/76/1066693676.db2.gz BOOLCOUWARNNRN-OAQYLSRUSA-N 0 0 456.329 4.850 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCOCC(F)F)CC2)c1 ZINC001492622661 1066694263 /nfs/dbraw/zinc/69/42/63/1066694263.db2.gz QYVHDBYUOCZACR-UHFFFAOYSA-N 0 0 478.975 4.692 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)c(C)n1-c1ccn(C)n1 ZINC001446346958 1066694275 /nfs/dbraw/zinc/69/42/75/1066694275.db2.gz YCXVGWQCCFASQD-UHFFFAOYSA-N 0 0 452.387 4.610 20 0 JJADRN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001456802211 1066694335 /nfs/dbraw/zinc/69/43/35/1066694335.db2.gz KKERRXWIDZMAML-SXOMAYOGSA-N 0 0 455.602 4.789 20 0 JJADRN O=C(Nc1cc(C(=O)OCc2ccccc2)n[nH]1)c1cccc2c(Br)cccc12 ZINC001456802328 1066694342 /nfs/dbraw/zinc/69/43/42/1066694342.db2.gz XWFQVPFWCNRSAG-UHFFFAOYSA-N 0 0 450.292 4.935 20 0 JJADRN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001456802209 1066694368 /nfs/dbraw/zinc/69/43/68/1066694368.db2.gz KKERRXWIDZMAML-SVBPBHIXSA-N 0 0 455.602 4.789 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001456803754 1066695222 /nfs/dbraw/zinc/69/52/22/1066695222.db2.gz OIFJTHBBSZMALD-UHFFFAOYSA-N 0 0 452.454 4.765 20 0 JJADRN Cc1cnn(CC2CCN(c3nnc(-c4cc(Br)cn4C)n3CCC(C)(F)F)CC2)c1 ZINC001492623105 1066695438 /nfs/dbraw/zinc/69/54/38/1066695438.db2.gz XAPSEZNWUHPAFN-UHFFFAOYSA-N 0 0 496.404 4.513 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2Cc2cc(F)cc(OC)c2)CCO1 ZINC001546085027 1066695730 /nfs/dbraw/zinc/69/57/30/1066695730.db2.gz CMAXTPHDVNDXJE-NRFANRHFSA-N 0 0 495.418 4.970 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCc2cccs2)c1 ZINC001492624014 1066696235 /nfs/dbraw/zinc/69/62/35/1066696235.db2.gz PDCREKVFTXKETK-SFHVURJKSA-N 0 0 454.575 4.503 20 0 JJADRN Cc1ccc(-c2ncc(C(=O)NCc3cccc(CN4C(=O)CSC4=O)c3)s2)c(C)c1 ZINC001446360136 1066696407 /nfs/dbraw/zinc/69/64/07/1066696407.db2.gz YJBYYFXOFPNTPJ-UHFFFAOYSA-N 0 0 451.573 4.552 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1sc(SC(F)(F)F)nc1C)c1cccc(Cl)c1 ZINC001456806377 1066696625 /nfs/dbraw/zinc/69/66/25/1066696625.db2.gz BCHJXQNXPSGHSL-GFCCVEGCSA-N 0 0 452.907 4.680 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)cc1 ZINC001456806998 1066696633 /nfs/dbraw/zinc/69/66/33/1066696633.db2.gz HHWFUKLXYWFVLO-HOYKHHGWSA-N 0 0 450.608 4.985 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c2ccccc21 ZINC001456808750 1066697210 /nfs/dbraw/zinc/69/72/10/1066697210.db2.gz IPCOBRYEEZWOQT-ZJSJBZJDSA-N 0 0 471.598 4.572 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)cnc12 ZINC001456810612 1066697851 /nfs/dbraw/zinc/69/78/51/1066697851.db2.gz GHTWGRIEQZVUFC-UHFFFAOYSA-N 0 0 457.424 4.720 20 0 JJADRN CN(CCC1CC1)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001446379394 1066698403 /nfs/dbraw/zinc/69/84/03/1066698403.db2.gz POXJJTUAYFGQTC-DEOSSOPVSA-N 0 0 452.595 4.960 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001446378640 1066698542 /nfs/dbraw/zinc/69/85/42/1066698542.db2.gz NNKVJJPXOLKLGW-UUOWRZLLSA-N 0 0 453.970 4.889 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001456810896 1066698498 /nfs/dbraw/zinc/69/84/98/1066698498.db2.gz QDJDKQAUCGYIDV-ZACQAIPSSA-N 0 0 465.472 4.939 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001456811471 1066698540 /nfs/dbraw/zinc/69/85/40/1066698540.db2.gz RJSWOFGEULRFEV-OLMNPRSZSA-N 0 0 465.978 4.957 20 0 JJADRN Cc1cnn(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(Cl)=C(Cl)C2)c1 ZINC001492627351 1066698651 /nfs/dbraw/zinc/69/86/51/1066698651.db2.gz WAEUJTOFWMCKAI-UHFFFAOYSA-N 0 0 455.752 4.842 20 0 JJADRN Cc1cccc([C@H](C)CNC(=O)c2cccc(Br)c2I)c1 ZINC001456813629 1066699342 /nfs/dbraw/zinc/69/93/42/1066699342.db2.gz INWWMQGUDYMAOC-GFCCVEGCSA-N 0 0 458.137 4.896 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Cl)c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001456816122 1066700008 /nfs/dbraw/zinc/70/00/08/1066700008.db2.gz DTNJUWMYPNZDNG-KRWDZBQOSA-N 0 0 453.901 4.696 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1ccc(N2CCOCC2)cc1 ZINC001456816143 1066700100 /nfs/dbraw/zinc/70/01/00/1066700100.db2.gz DUMBBHVSOOUNKU-UHFFFAOYSA-N 0 0 454.324 4.725 20 0 JJADRN Cc1cn2c(n1)[C@H](Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1)CCC2 ZINC001492628807 1066700152 /nfs/dbraw/zinc/70/01/52/1066700152.db2.gz NMALHRBLCJXKCM-SFHVURJKSA-N 0 0 457.420 4.883 20 0 JJADRN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cc(I)c[nH]1 ZINC001446386843 1066700374 /nfs/dbraw/zinc/70/03/74/1066700374.db2.gz WFQZMVGKVKDYFM-QVKFZJNVSA-N 0 0 456.327 4.838 20 0 JJADRN COc1cc([C@@H](C)NC(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)cc2ccccc21 ZINC001456818488 1066700527 /nfs/dbraw/zinc/70/05/27/1066700527.db2.gz YZKDUIDPSYCWRB-OAHLLOKOSA-N 0 0 455.580 4.750 20 0 JJADRN CCCCOCCN(C(=O)Cc1cn2c(C)csc2n1)c1ccc(Br)cc1 ZINC001456817776 1066700539 /nfs/dbraw/zinc/70/05/39/1066700539.db2.gz HYJNQDUUINFAJE-UHFFFAOYSA-N 0 0 450.402 4.859 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001446390182 1066700898 /nfs/dbraw/zinc/70/08/98/1066700898.db2.gz ZXQVMQKQFCZKND-BTYIYWSLSA-N 0 0 453.377 4.822 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCC(=O)N(C)[C@@H]3c3ccc(C(F)(F)F)cc3)cc2)o1 ZINC001456820421 1066701293 /nfs/dbraw/zinc/70/12/93/1066701293.db2.gz WCEFZAWMABGQDA-UYAOXDASSA-N 0 0 458.440 4.612 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001456819851 1066701350 /nfs/dbraw/zinc/70/13/50/1066701350.db2.gz LZVIZQRAFPTTSE-UYAOXDASSA-N 0 0 450.432 4.671 20 0 JJADRN COc1ccccc1CN(CCO)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001446391446 1066701471 /nfs/dbraw/zinc/70/14/71/1066701471.db2.gz NABBWSIVLVXVDN-UHFFFAOYSA-N 0 0 451.466 4.957 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC001446395298 1066701504 /nfs/dbraw/zinc/70/15/04/1066701504.db2.gz MWSAMXNQPYYTBW-SOUVJXGZSA-N 0 0 461.550 4.951 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCCCC1)c1cc(-n2ccnn2)ccc1F ZINC001456827197 1066701648 /nfs/dbraw/zinc/70/16/48/1066701648.db2.gz STKHVPXLSGXEHY-UHFFFAOYSA-N 0 0 457.347 4.801 20 0 JJADRN CC(C)C[C@H](CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC001456828299 1066702248 /nfs/dbraw/zinc/70/22/48/1066702248.db2.gz LEAAMNQLFJOZDK-QRVBRYPASA-N 0 0 455.640 4.610 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492629876 1066702343 /nfs/dbraw/zinc/70/23/43/1066702343.db2.gz JIXAGVPUDKQOAJ-SNPRPXQTSA-N 0 0 495.516 4.945 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492629893 1066702524 /nfs/dbraw/zinc/70/25/24/1066702524.db2.gz JQMGOVMRHBFIQR-QNXPBUOUSA-N 0 0 480.663 4.844 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492629902 1066702598 /nfs/dbraw/zinc/70/25/98/1066702598.db2.gz JRAONCFZIKSWGR-QGZVFWFLSA-N 0 0 497.669 4.744 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC001446402638 1066702641 /nfs/dbraw/zinc/70/26/41/1066702641.db2.gz XKLMIWSHOMJEEO-SMASLZHESA-N 0 0 451.405 4.536 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C(C)(C)C)CCO1 ZINC001546085114 1066702494 /nfs/dbraw/zinc/70/24/94/1066702494.db2.gz DZKOLOYQYPUAFQ-GCJKJVERSA-N 0 0 483.426 4.913 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](NC(=O)c4ccccc4)C3)c(F)c2)c(F)c1 ZINC001456832205 1066702922 /nfs/dbraw/zinc/70/29/22/1066702922.db2.gz YLKOVGOBXNTUGP-IBGZPJMESA-N 0 0 450.485 4.675 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2ccc(Br)cc2OC(C)C)C2CC2)n1 ZINC001456833335 1066702978 /nfs/dbraw/zinc/70/29/78/1066702978.db2.gz HKWQLRHWCCLYBS-UHFFFAOYSA-N 0 0 453.358 4.679 20 0 JJADRN Cc1nc([C@H]2CCCCN2C(=O)Cc2csc(-c3sccc3Br)n2)no1 ZINC001456834685 1066703361 /nfs/dbraw/zinc/70/33/61/1066703361.db2.gz UBBCDIADAQSBGK-CYBMUJFWSA-N 0 0 453.387 4.622 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001492630185 1066703360 /nfs/dbraw/zinc/70/33/60/1066703360.db2.gz PMNBWHPRLMECBA-HKUYNNGSSA-N 0 0 482.654 4.865 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492630110 1066703412 /nfs/dbraw/zinc/70/34/12/1066703412.db2.gz OBLZZAIKSHJAPE-ZIAGYGMSSA-N 0 0 462.417 4.501 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cccc(C(F)(F)F)n2)c2ccc(OC)cc2)n1 ZINC001456835110 1066703543 /nfs/dbraw/zinc/70/35/43/1066703543.db2.gz KKPXPGIZGYLKBE-UHFFFAOYSA-N 0 0 451.426 4.721 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001446421336 1066703473 /nfs/dbraw/zinc/70/34/73/1066703473.db2.gz FIVQXBRIDDPXEA-RHSMWYFYSA-N 0 0 454.792 4.788 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC001446421341 1066703594 /nfs/dbraw/zinc/70/35/94/1066703594.db2.gz FIVQXBRIDDPXEA-WMLDXEAASA-N 0 0 454.792 4.788 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC001456839147 1066703958 /nfs/dbraw/zinc/70/39/58/1066703958.db2.gz AFXQGFDPUUCNRD-LJQANCHMSA-N 0 0 450.583 4.522 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC001492630294 1066704051 /nfs/dbraw/zinc/70/40/51/1066704051.db2.gz RIXLLAUGDZSEMY-NVXWUHKLSA-N 0 0 488.061 4.874 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2cc(C)c(Cl)cc2I)no1 ZINC001456836526 1066704148 /nfs/dbraw/zinc/70/41/48/1066704148.db2.gz YDQWYMCNSVKSPU-AWEZNQCLSA-N 0 0 459.715 4.566 20 0 JJADRN O=C(CCC[S@](=O)c1ccc(Br)cc1)Nc1ccc2c(cnn2C(F)F)c1 ZINC001446428067 1066704635 /nfs/dbraw/zinc/70/46/35/1066704635.db2.gz OPGBXZKXYSZYTH-MHZLTWQESA-N 0 0 456.312 4.720 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546085202 1066704713 /nfs/dbraw/zinc/70/47/13/1066704713.db2.gz GQULMULJHODGAG-CVDCTZTESA-N 0 0 495.462 4.783 20 0 JJADRN Cc1ccc(C)c(C2CCN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC2)c1 ZINC001456843022 1066704724 /nfs/dbraw/zinc/70/47/24/1066704724.db2.gz FDTLSDGCXQEUNK-FQEVSTJZSA-N 0 0 452.599 4.771 20 0 JJADRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC001446435698 1066705583 /nfs/dbraw/zinc/70/55/83/1066705583.db2.gz SCZUJNHASYZPLM-CQSZACIVSA-N 0 0 456.955 4.777 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)Cc3ccccc3)c3ccccc3n2)cc1OC ZINC001446434764 1066705606 /nfs/dbraw/zinc/70/56/06/1066705606.db2.gz YMKPYVKFBOXPGC-SFHVURJKSA-N 0 0 454.526 4.849 20 0 JJADRN Cc1cc(C)cc(C2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC001456850454 1066705680 /nfs/dbraw/zinc/70/56/80/1066705680.db2.gz WOZCNMVOJRSEQT-JOCHJYFZSA-N 0 0 456.533 4.916 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001545985863 1066705760 /nfs/dbraw/zinc/70/57/60/1066705760.db2.gz QRVAPUSTVMCFLM-DEWVLAIRSA-N 0 0 451.995 4.602 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001545985865 1066705798 /nfs/dbraw/zinc/70/57/98/1066705798.db2.gz QRVAPUSTVMCFLM-FJIUHHDGSA-N 0 0 451.995 4.602 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1)NC(=O)OC(C)(C)C ZINC001545986160 1066706116 /nfs/dbraw/zinc/70/61/16/1066706116.db2.gz AGTQYKVKQCAUIY-ROUUACIJSA-N 0 0 489.583 4.992 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1)c1ccccc1 ZINC001446461173 1066706134 /nfs/dbraw/zinc/70/61/34/1066706134.db2.gz QEAQDVQXFKYWPL-QGZVFWFLSA-N 0 0 452.576 4.982 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC001492630768 1066706216 /nfs/dbraw/zinc/70/62/16/1066706216.db2.gz AHVBHZOBWFRDJE-NSHDSACASA-N 0 0 491.465 4.625 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)c1ccccc1Cl ZINC001456852928 1066706299 /nfs/dbraw/zinc/70/62/99/1066706299.db2.gz ITOSEYJBGIWKQT-JPYJTQIMSA-N 0 0 458.002 4.632 20 0 JJADRN Cc1cc(O)ccc1NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446459433 1066706171 /nfs/dbraw/zinc/70/61/71/1066706171.db2.gz MCRXSZOQKDPGHF-JOCHJYFZSA-N 0 0 453.336 4.502 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n1 ZINC001456858616 1066706809 /nfs/dbraw/zinc/70/68/09/1066706809.db2.gz HSOITQPSIPWWHH-MRXNPFEDSA-N 0 0 458.584 4.986 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492631026 1066706878 /nfs/dbraw/zinc/70/68/78/1066706878.db2.gz DRMZVAPBHWWFAN-IEBWSBKVSA-N 0 0 499.685 4.925 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1)NC(=O)OC(C)(C)C ZINC001545986255 1066707568 /nfs/dbraw/zinc/70/75/68/1066707568.db2.gz CBRPDKVYLFHQLO-FBBABVLZSA-N 0 0 473.618 4.726 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)s1 ZINC001492631432 1066707825 /nfs/dbraw/zinc/70/78/25/1066707825.db2.gz KQZDTKJQTLUJOA-JKSUJKDBSA-N 0 0 496.578 4.649 20 0 JJADRN CC(C)n1ncc(C(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c1-c1ccccc1 ZINC001456859823 1066707950 /nfs/dbraw/zinc/70/79/50/1066707950.db2.gz CMLWEFZRMCFGES-UHFFFAOYSA-N 0 0 457.496 4.886 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545986426 1066707988 /nfs/dbraw/zinc/70/79/88/1066707988.db2.gz FQKXXWRJPGNHCF-FCJDFRRUSA-N 0 0 499.656 4.789 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545986576 1066708619 /nfs/dbraw/zinc/70/86/19/1066708619.db2.gz HSEQEBHLAQRILP-PMACEKPBSA-N 0 0 461.651 4.984 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545986799 1066709020 /nfs/dbraw/zinc/70/90/20/1066709020.db2.gz KOOZMEREZYWXHG-ZCNNSNEGSA-N 0 0 481.707 4.540 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](SC)C1)NC(=O)OC(C)(C)C ZINC001545986777 1066709097 /nfs/dbraw/zinc/70/90/97/1066709097.db2.gz KBXDOCAOSFSAFV-QYZOEREBSA-N 0 0 467.680 4.545 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC001446482781 1066709223 /nfs/dbraw/zinc/70/92/23/1066709223.db2.gz BWUYHJRFHNSBBW-RBUKOAKNSA-N 0 0 454.420 4.751 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC=C(Br)C2)s1 ZINC001492631955 1066709457 /nfs/dbraw/zinc/70/94/57/1066709457.db2.gz UVAMYMPAMQBNCJ-CZUORRHYSA-N 0 0 452.422 4.577 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492631945 1066709484 /nfs/dbraw/zinc/70/94/84/1066709484.db2.gz USAXEMWPXKWJRK-QUCCMNQESA-N 0 0 455.628 4.646 20 0 JJADRN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC001446486115 1066709589 /nfs/dbraw/zinc/70/95/89/1066709589.db2.gz JLMAXICEADFSSQ-FYYLOGMGSA-N 0 0 453.583 4.835 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)s1 ZINC001492632276 1066709850 /nfs/dbraw/zinc/70/98/50/1066709850.db2.gz AMOXZGKASTYTDX-ZSZQSSIHSA-N 0 0 492.093 4.789 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2c(F)cccc2Cl)s1 ZINC001492632065 1066709998 /nfs/dbraw/zinc/70/99/98/1066709998.db2.gz WSLSLBKOJYDMFK-CYBMUJFWSA-N 0 0 459.982 4.676 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Br)[C@H](O)Cc1ccccc1 ZINC001446488737 1066710049 /nfs/dbraw/zinc/71/00/49/1066710049.db2.gz CDZNEAKMGNTEML-VGOFRKELSA-N 0 0 454.364 4.750 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)s1 ZINC001492632218 1066710007 /nfs/dbraw/zinc/71/00/07/1066710007.db2.gz ZAKIXGHZZMMFBB-YTQUADARSA-N 0 0 488.702 4.738 20 0 JJADRN C[C@@](Cc1cccc(Br)c1)(NC(=O)c1cccn(C2CC2)c1=O)c1ccccc1 ZINC001456867290 1066710056 /nfs/dbraw/zinc/71/00/56/1066710056.db2.gz ZRDCUSNWMYJPHU-DEOSSOPVSA-N 0 0 451.364 4.834 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)CC2=O)cc1 ZINC001446487374 1066710192 /nfs/dbraw/zinc/71/01/92/1066710192.db2.gz BAPLDCQKDLJUIH-XUZZJYLKSA-N 0 0 450.554 4.785 20 0 JJADRN COc1ncc(/C=C/C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001456867054 1066710182 /nfs/dbraw/zinc/71/01/82/1066710182.db2.gz YHWNITYOGWGSDJ-HRBBJJPOSA-N 0 0 452.352 4.535 20 0 JJADRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1nn(-c2ccccc2)cc1Br ZINC001456867539 1066710237 /nfs/dbraw/zinc/71/02/37/1066710237.db2.gz LVMZWGNEDYKXTP-UHFFFAOYSA-N 0 0 456.674 4.820 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)s1 ZINC001492632341 1066710343 /nfs/dbraw/zinc/71/03/43/1066710343.db2.gz CEPSKMVRFKZHLP-ROUUACIJSA-N 0 0 469.655 4.948 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001492632340 1066710402 /nfs/dbraw/zinc/71/04/02/1066710402.db2.gz CEPSKMVRFKZHLP-QZTJIDSGSA-N 0 0 469.655 4.948 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492632384 1066710567 /nfs/dbraw/zinc/71/05/67/1066710567.db2.gz DCWRZOFLMXTOLN-IBGZPJMESA-N 0 0 453.656 4.621 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001446499314 1066710599 /nfs/dbraw/zinc/71/05/99/1066710599.db2.gz RTXNVOFXZSWGPD-SFHVURJKSA-N 0 0 456.315 4.652 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446490556 1066710798 /nfs/dbraw/zinc/71/07/98/1066710798.db2.gz XJRJOHYWHGNEIO-FUHWJXTLSA-N 0 0 456.739 4.735 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492632473 1066710918 /nfs/dbraw/zinc/71/09/18/1066710918.db2.gz FTHDJXYOBGSMNY-DOMZBBRYSA-N 0 0 452.600 4.684 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)s1 ZINC001492632475 1066710989 /nfs/dbraw/zinc/71/09/89/1066710989.db2.gz FTHDJXYOBGSMNY-SWLSCSKDSA-N 0 0 452.600 4.684 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492632476 1066711004 /nfs/dbraw/zinc/71/10/04/1066711004.db2.gz FTHDJXYOBGSMNY-WFASDCNBSA-N 0 0 452.600 4.684 20 0 JJADRN O=C(C[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC001446502659 1066711392 /nfs/dbraw/zinc/71/13/92/1066711392.db2.gz WIONEHAZGVTHBE-JWQCQUIFSA-N 0 0 458.533 4.951 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@@H]1C)OC ZINC001545986980 1066711422 /nfs/dbraw/zinc/71/14/22/1066711422.db2.gz NENWJTWAQQSPBP-CEWLAPEOSA-N 0 0 469.630 4.899 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C2CC(C(C)(C)C)C2)CCO1 ZINC001546085408 1066711596 /nfs/dbraw/zinc/71/15/96/1066711596.db2.gz KWOURTPPXVJTMJ-LJLLCPEMSA-N 0 0 472.630 4.973 20 0 JJADRN CCn1ncc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)c1Br ZINC001446504238 1066711627 /nfs/dbraw/zinc/71/16/27/1066711627.db2.gz DSTODLXLHSLCEK-UHFFFAOYSA-N 0 0 458.747 4.588 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492632855 1066711990 /nfs/dbraw/zinc/71/19/90/1066711990.db2.gz OPVNLUTXKGOGMD-IBGZPJMESA-N 0 0 496.681 4.689 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)s1 ZINC001492632821 1066712000 /nfs/dbraw/zinc/71/20/00/1066712000.db2.gz NMLNLCBGLBFVCD-INIZCTEOSA-N 0 0 484.029 4.548 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3Cc3cnn(CC(C)C)c3C)CC2)s1 ZINC001492632755 1066712012 /nfs/dbraw/zinc/71/20/12/1066712012.db2.gz LVYLSVHARSYCJD-UHFFFAOYSA-N 0 0 455.676 4.934 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2F)CCO1 ZINC001546085410 1066712116 /nfs/dbraw/zinc/71/21/16/1066712116.db2.gz KYOUKZZIKJWTHN-OAQYLSRUSA-N 0 0 462.367 4.537 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(C)C)n3CC3CCN(CC(F)(F)F)CC3)CC2)s1 ZINC001492632886 1066712497 /nfs/dbraw/zinc/71/24/97/1066712497.db2.gz PGELYLHFUYMHOY-UHFFFAOYSA-N 0 0 470.609 4.825 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492632979 1066712568 /nfs/dbraw/zinc/71/25/68/1066712568.db2.gz RLOFYPHSIFRSRT-UZLBHIALSA-N 0 0 473.618 4.816 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1OC ZINC001456879172 1066712861 /nfs/dbraw/zinc/71/28/61/1066712861.db2.gz GENUYGDARXIGKL-IUODEOHRSA-N 0 0 455.292 4.515 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)C[C@@H](C)c3nccs3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633113 1066713016 /nfs/dbraw/zinc/71/30/16/1066713016.db2.gz UWGMSLAHMYPXES-SEPYTNNBSA-N 0 0 490.699 4.584 20 0 JJADRN C[C@@H](CNC(=O)[C@H]1CCc2cc(Br)ccc21)Oc1ccc(Br)cc1 ZINC001456881039 1066713226 /nfs/dbraw/zinc/71/32/26/1066713226.db2.gz RLKYTTUZIOPQMR-SGTLLEGYSA-N 0 0 453.174 4.825 20 0 JJADRN O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H](C(=O)N2CCC3(C2)CCCCC3)C1 ZINC001456880900 1066713349 /nfs/dbraw/zinc/71/33/49/1066713349.db2.gz UIVUNHLDHBKBGT-QGZVFWFLSA-N 0 0 451.380 4.623 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nnc2C(C)(C)C)s1 ZINC001492633270 1066713577 /nfs/dbraw/zinc/71/35/77/1066713577.db2.gz XTCGGYZXHOLITO-KRWDZBQOSA-N 0 0 498.672 4.816 20 0 JJADRN CO[C@@]1(C)C[C@@H](NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1(C)C ZINC001456882724 1066713862 /nfs/dbraw/zinc/71/38/62/1066713862.db2.gz VXLBPIDFPFSBBU-PXAZEXFGSA-N 0 0 451.276 4.526 20 0 JJADRN Cc1cc(C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c(F)cc1F ZINC001456885874 1066714310 /nfs/dbraw/zinc/71/43/10/1066714310.db2.gz MBVMVXRNWQKJGC-NBGIEHNGSA-N 0 0 458.505 4.906 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)c(-c3ccc(C)cc3)n2)cc1 ZINC001446521730 1066714659 /nfs/dbraw/zinc/71/46/59/1066714659.db2.gz AUYNHMJKFKFYSL-FYYLOGMGSA-N 0 0 457.496 4.743 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520142 1066714743 /nfs/dbraw/zinc/71/47/43/1066714743.db2.gz YPHCGKDCPPXFSV-OSPHWJPCSA-N 0 0 452.002 4.806 20 0 JJADRN Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCCCN3C(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001456889945 1066714696 /nfs/dbraw/zinc/71/46/96/1066714696.db2.gz UXJXUFVOURUQNZ-FQEVSTJZSA-N 0 0 452.599 4.579 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)o1 ZINC001456889462 1066714790 /nfs/dbraw/zinc/71/47/90/1066714790.db2.gz VTCJOMYJRACXKR-GOSISDBHSA-N 0 0 458.555 4.777 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)nc1I ZINC001456887940 1066714863 /nfs/dbraw/zinc/71/48/63/1066714863.db2.gz ZFPDVQMBTJLARA-KRWDZBQOSA-N 0 0 450.320 4.679 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@](C)(OC)C2CC2)CCO1 ZINC001546085442 1066714917 /nfs/dbraw/zinc/71/49/17/1066714917.db2.gz LLXXDLQJYBPPMB-GOTSBHOMSA-N 0 0 493.446 4.537 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4cccn4C)n3C[C@H](C)CNC(=O)OC(C)(C)C)CC2)s1 ZINC001492633541 1066715018 /nfs/dbraw/zinc/71/50/18/1066715018.db2.gz FPMWDIYOBLBVJD-QGZVFWFLSA-N 0 0 499.685 4.593 20 0 JJADRN Cc1ncc(Br)c(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)n1 ZINC001456891987 1066715272 /nfs/dbraw/zinc/71/52/72/1066715272.db2.gz GQZXLPOIVSIDAF-UHFFFAOYSA-N 0 0 459.207 4.611 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)c(-c3ccc(C)cc3)n2)cc1 ZINC001446521743 1066715412 /nfs/dbraw/zinc/71/54/12/1066715412.db2.gz AUYNHMJKFKFYSL-GMAHTHKFSA-N 0 0 457.496 4.743 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(COc4ccc(F)cc4)n3CCCOC(F)F)CC2)s1 ZINC001492633728 1066715371 /nfs/dbraw/zinc/71/53/71/1066715371.db2.gz MTBVHPBTNNRBOR-UHFFFAOYSA-N 0 0 481.544 4.774 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@H]3CCCO3)CC2)s1 ZINC001492633872 1066715553 /nfs/dbraw/zinc/71/55/53/1066715553.db2.gz RUWJJMBLZZPOEV-HXUWFJFHSA-N 0 0 461.676 4.601 20 0 JJADRN Cc1coc(C)c1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001492633683 1066715591 /nfs/dbraw/zinc/71/55/91/1066715591.db2.gz KZPVRIWFAFJMMN-HNNXBMFYSA-N 0 0 499.040 4.816 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCC[C@H]2C(C)(C)O)s1 ZINC001446526480 1066715873 /nfs/dbraw/zinc/71/58/73/1066715873.db2.gz NIESDWOOLCFWCF-NRFANRHFSA-N 0 0 451.592 4.867 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(F)cc1Cl ZINC001446528133 1066716062 /nfs/dbraw/zinc/71/60/62/1066716062.db2.gz MOLIUWYWGVUXHY-UHFFFAOYSA-N 0 0 455.983 4.974 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NCc3cc(N(C)C)nc4ccccc34)CC2(Cl)Cl)cc1 ZINC001456894583 1066716315 /nfs/dbraw/zinc/71/63/15/1066716315.db2.gz SXZUJKRFWCRDDY-HSZRJFAPSA-N 0 0 458.389 4.831 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492634214 1066716648 /nfs/dbraw/zinc/71/66/48/1066716648.db2.gz GIJDLTGWMMDKRJ-FQEVSTJZSA-N 0 0 482.629 4.625 20 0 JJADRN COC(=O)c1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)o1 ZINC001446529744 1066716673 /nfs/dbraw/zinc/71/66/73/1066716673.db2.gz PWUYYAPXUFPPLD-QHCPKHFHSA-N 0 0 452.938 4.575 20 0 JJADRN CO[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001446531379 1066716714 /nfs/dbraw/zinc/71/67/14/1066716714.db2.gz OGTKWYDJHYMASJ-IEBWDACRSA-N 0 0 456.505 4.782 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NCc3cc(N(C)C)nc4ccccc34)c2c1C ZINC001456897177 1066716905 /nfs/dbraw/zinc/71/69/05/1066716905.db2.gz YGLBGNMBOSEVBT-UHFFFAOYSA-N 0 0 451.621 4.639 20 0 JJADRN O=C(c1cccc2nc(C(F)F)[nH]c21)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456897746 1066717015 /nfs/dbraw/zinc/71/70/15/1066717015.db2.gz VHCULKSBVDYYTN-UHFFFAOYSA-N 0 0 456.674 4.951 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1 ZINC001492634522 1066717193 /nfs/dbraw/zinc/71/71/93/1066717193.db2.gz QKYHWMCSZSLDEH-UHFFFAOYSA-N 0 0 470.371 4.809 20 0 JJADRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(Br)cc2F)cc1 ZINC001456900197 1066717358 /nfs/dbraw/zinc/71/73/58/1066717358.db2.gz NLHHFBLCZSJJFF-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C ZINC001492635324 1066718188 /nfs/dbraw/zinc/71/81/88/1066718188.db2.gz NZHVEIMVQMVIQS-UHFFFAOYSA-N 0 0 462.598 4.976 20 0 JJADRN CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 ZINC001446538208 1066718219 /nfs/dbraw/zinc/71/82/19/1066718219.db2.gz PDWWQDXOGJCHBO-MUUNZHRXSA-N 0 0 457.574 4.693 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC1CC1 ZINC001492634974 1066718246 /nfs/dbraw/zinc/71/82/46/1066718246.db2.gz DDTIXWYNEZHDLO-UHFFFAOYSA-N 0 0 457.619 4.887 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001492635252 1066718365 /nfs/dbraw/zinc/71/83/65/1066718365.db2.gz LVHNXHQGRAXJKQ-YVWKXTFCSA-N 0 0 457.619 4.885 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001446539732 1066718399 /nfs/dbraw/zinc/71/83/99/1066718399.db2.gz AFDQQVIWIQUKDH-FCHUYYIVSA-N 0 0 451.592 4.654 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)C1 ZINC001446538132 1066718417 /nfs/dbraw/zinc/71/84/17/1066718417.db2.gz ONVGORJHGOMLMX-KNAJXNNHSA-N 0 0 478.633 4.933 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)CCCc2ccc3ccccc3c2)c1 ZINC001446543457 1066718896 /nfs/dbraw/zinc/71/88/96/1066718896.db2.gz PKFIHNIHCAIOSI-UHFFFAOYSA-N 0 0 453.608 4.873 20 0 JJADRN Cc1coc(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001492635533 1066718922 /nfs/dbraw/zinc/71/89/22/1066718922.db2.gz ULMZQYTUPVCQTQ-SFHVURJKSA-N 0 0 487.645 4.654 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001456910677 1066719050 /nfs/dbraw/zinc/71/90/50/1066719050.db2.gz IQQFXBBCDIHCFH-KRWDZBQOSA-N 0 0 453.178 4.691 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001456910680 1066719097 /nfs/dbraw/zinc/71/90/97/1066719097.db2.gz IQQFXBBCDIHCFH-QGZVFWFLSA-N 0 0 453.178 4.691 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)c3cccc(Nc4nccc(C(F)(F)F)n4)c3)CC2)c1 ZINC001446541770 1066719027 /nfs/dbraw/zinc/71/90/27/1066719027.db2.gz NLBXVFWUYJNMPH-UHFFFAOYSA-N 0 0 455.484 4.818 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Br ZINC001492635886 1066719400 /nfs/dbraw/zinc/71/94/00/1066719400.db2.gz CYEUZEUULSMUBA-UHFFFAOYSA-N 0 0 466.383 4.921 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001492636000 1066719478 /nfs/dbraw/zinc/71/94/78/1066719478.db2.gz HZKKSQFVUPWNQU-AUUYWEPGSA-N 0 0 468.907 4.936 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc2ccccc2n1CC ZINC001446544230 1066719302 /nfs/dbraw/zinc/71/93/02/1066719302.db2.gz RTALOJHYPBJJKX-UHFFFAOYSA-N 0 0 456.612 4.766 20 0 JJADRN Cc1coc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001492635988 1066719524 /nfs/dbraw/zinc/71/95/24/1066719524.db2.gz HOVAVOFWKWUBCZ-SFHVURJKSA-N 0 0 493.633 4.691 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)Nc3cc(C(F)(F)F)n[nH]3)ccc21 ZINC001446545035 1066719576 /nfs/dbraw/zinc/71/95/76/1066719576.db2.gz CLEXMUJKFCCQMK-UHFFFAOYSA-N 0 0 451.449 4.550 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001492636027 1066719931 /nfs/dbraw/zinc/71/99/31/1066719931.db2.gz ITSIQNGJAUUOFZ-HUUCEWRRSA-N 0 0 459.388 4.970 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492636073 1066719998 /nfs/dbraw/zinc/71/99/98/1066719998.db2.gz KKUUPBJGAZOKLX-AQNXPRMDSA-N 0 0 457.619 4.789 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2cc3ccccc3o2)n1 ZINC001492636273 1066720069 /nfs/dbraw/zinc/72/00/69/1066720069.db2.gz AYYVIUUQUPJXDJ-NVXWUHKLSA-N 0 0 466.611 4.929 20 0 JJADRN Cc1cc(F)c(Br)cc1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001456911953 1066720040 /nfs/dbraw/zinc/72/00/40/1066720040.db2.gz MYGXSIMTAXOIAE-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CCCO)CC2)n1 ZINC001492636289 1066720108 /nfs/dbraw/zinc/72/01/08/1066720108.db2.gz BCYQAHDIOMKQCP-IBGZPJMESA-N 0 0 496.681 4.705 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)n1 ZINC001492636363 1066720554 /nfs/dbraw/zinc/72/05/54/1066720554.db2.gz BQTBTEUMNNLILQ-CQSZACIVSA-N 0 0 493.559 4.663 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c2ccccc2)cc1 ZINC001456917031 1066720651 /nfs/dbraw/zinc/72/06/51/1066720651.db2.gz CLYNQZSIILQKFV-VPUSJEBWSA-N 0 0 455.602 4.950 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001446564563 1066721259 /nfs/dbraw/zinc/72/12/59/1066721259.db2.gz GVHUGKYPSHEIDW-YWZLYKJASA-N 0 0 450.938 4.876 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)c2ccc(F)cc2F)[C@@H]1c1ccccc1OC ZINC001456917513 1066721277 /nfs/dbraw/zinc/72/12/77/1066721277.db2.gz DQLHCOASFXGJTO-SAQVGAHLSA-N 0 0 458.549 4.973 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC001456917037 1066721302 /nfs/dbraw/zinc/72/13/02/1066721302.db2.gz SNTDBQPQGJCEKK-KRWDZBQOSA-N 0 0 451.489 4.876 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@H]2C)n1 ZINC001492636423 1066721279 /nfs/dbraw/zinc/72/12/79/1066721279.db2.gz CMLBSBXTUGLLDE-UMVBOHGHSA-N 0 0 463.449 4.849 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492636494 1066721648 /nfs/dbraw/zinc/72/16/48/1066721648.db2.gz RZTINHQHDQJUFA-OAQYLSRUSA-N 0 0 497.615 4.959 20 0 JJADRN Cc1coc(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 ZINC001492636573 1066721716 /nfs/dbraw/zinc/72/17/16/1066721716.db2.gz DHSYYJDVNWGNLP-SFHVURJKSA-N 0 0 465.545 4.844 20 0 JJADRN C[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)CNC(=O)OC(C)(C)C ZINC001446568909 1066721784 /nfs/dbraw/zinc/72/17/84/1066721784.db2.gz OZWXLHHWDNYWGG-LBPRGKRZSA-N 0 0 458.411 4.936 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)n1 ZINC001492636853 1066722161 /nfs/dbraw/zinc/72/21/61/1066722161.db2.gz GZCMDNBTPKCHGH-JYWFKMLOSA-N 0 0 469.655 4.811 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)C1 ZINC001456919706 1066722276 /nfs/dbraw/zinc/72/22/76/1066722276.db2.gz JZJVZPNXKMIGRY-WOJBJXKFSA-N 0 0 454.636 4.833 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H]2CCOC2)n1 ZINC001492637048 1066722606 /nfs/dbraw/zinc/72/26/06/1066722606.db2.gz KABOBWDUGVRKNE-WCQYABFASA-N 0 0 468.446 4.563 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)cc1 ZINC001456922775 1066722795 /nfs/dbraw/zinc/72/27/95/1066722795.db2.gz DRIPTBAPWXTYMS-HSZRJFAPSA-N 0 0 455.505 4.602 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492637358 1066723079 /nfs/dbraw/zinc/72/30/79/1066723079.db2.gz PKDPZHCVXBCMNA-HXUWFJFHSA-N 0 0 459.388 4.829 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](C)Oc3ccc(F)cc3)[C@@H]2c2cccs2)cc1 ZINC001456925162 1066723355 /nfs/dbraw/zinc/72/33/55/1066723355.db2.gz UGGGQASFMCKBAY-QATBIIFWSA-N 0 0 452.551 4.874 20 0 JJADRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446583434 1066723376 /nfs/dbraw/zinc/72/33/76/1066723376.db2.gz IAPYBGMVONPRPT-MLGOLLRUSA-N 0 0 457.905 4.907 20 0 JJADRN C[C@@H](NC(=O)c1scc(Br)c1Br)c1cccc(-n2cccn2)c1 ZINC001456925369 1066723483 /nfs/dbraw/zinc/72/34/83/1066723483.db2.gz GKSVYHBYJVXRIW-SNVBAGLBSA-N 0 0 455.175 4.950 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)s2)cc1OC ZINC001446584411 1066723530 /nfs/dbraw/zinc/72/35/30/1066723530.db2.gz RTFZIRCVZLCVBR-UHFFFAOYSA-N 0 0 453.564 4.814 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCOCC2)n1 ZINC001492637402 1066723597 /nfs/dbraw/zinc/72/35/97/1066723597.db2.gz QPXJCZICGVDNIA-XLIONFOSSA-N 0 0 455.628 4.830 20 0 JJADRN C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](c2ccccc2)CO1 ZINC001456930067 1066724453 /nfs/dbraw/zinc/72/44/53/1066724453.db2.gz AIJRSNNWTCIELM-ACJLOTCBSA-N 0 0 453.174 4.743 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)OC)c2)cc1 ZINC001456929558 1066724474 /nfs/dbraw/zinc/72/44/74/1066724474.db2.gz YWUMZFXRHVGRPH-UHFFFAOYSA-N 0 0 454.504 4.703 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001492637883 1066724498 /nfs/dbraw/zinc/72/44/98/1066724498.db2.gz APSGTSNCOMZHGF-DJIMGWMZSA-N 0 0 461.632 4.895 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001492637727 1066724585 /nfs/dbraw/zinc/72/45/85/1066724585.db2.gz YCSUFMVOSVDZSJ-AWEZNQCLSA-N 0 0 477.009 4.512 20 0 JJADRN Cc1cccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)(C)C ZINC001456929358 1066724558 /nfs/dbraw/zinc/72/45/58/1066724558.db2.gz UMSJFKURXBYFTB-JOCHJYFZSA-N 0 0 455.555 4.847 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)F)n1 ZINC001492637743 1066724634 /nfs/dbraw/zinc/72/46/34/1066724634.db2.gz YVEIEEHJVXQWFR-NSHDSACASA-N 0 0 473.391 4.706 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)n1 ZINC001492637905 1066724984 /nfs/dbraw/zinc/72/49/84/1066724984.db2.gz AWOGSTFBLSIMKH-MJGOQNOKSA-N 0 0 490.674 4.536 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)n1 ZINC001492637903 1066725000 /nfs/dbraw/zinc/72/50/00/1066725000.db2.gz AWOGSTFBLSIMKH-IEBWSBKVSA-N 0 0 490.674 4.536 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)c1 ZINC001446597733 1066725005 /nfs/dbraw/zinc/72/50/05/1066725005.db2.gz DZNNHZFLYKHZSY-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](COc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545987675 1066725175 /nfs/dbraw/zinc/72/51/75/1066725175.db2.gz VNMWJFFUNGDSRU-QZNHQXDQSA-N 0 0 499.656 4.728 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)n1 ZINC001492637981 1066725146 /nfs/dbraw/zinc/72/51/46/1066725146.db2.gz BJHDDUDFQUUGNU-QUCCMNQESA-N 0 0 476.650 4.996 20 0 JJADRN C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC001456935384 1066725428 /nfs/dbraw/zinc/72/54/28/1066725428.db2.gz VBHLABQLHWHSBJ-XPIMRQORSA-N 0 0 452.599 4.769 20 0 JJADRN CCn1c(SCC(=O)Nc2ccnn2-c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC001456935351 1066725446 /nfs/dbraw/zinc/72/54/46/1066725446.db2.gz GDRSFQFJGRYZLG-UHFFFAOYSA-N 0 0 452.971 4.843 20 0 JJADRN Cc1csc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cscn2)n1 ZINC001492638070 1066725623 /nfs/dbraw/zinc/72/56/23/1066725623.db2.gz CRRQKFYMAPYQQS-CYBMUJFWSA-N 0 0 460.579 4.809 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC001456936228 1066725972 /nfs/dbraw/zinc/72/59/72/1066725972.db2.gz WSPDFIBREHDFAN-HRFSGMKKSA-N 0 0 454.574 4.586 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)n1 ZINC001492638237 1066726036 /nfs/dbraw/zinc/72/60/36/1066726036.db2.gz FDJNKRGJLFOWLA-CQSZACIVSA-N 0 0 472.615 4.966 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC001456938641 1066726458 /nfs/dbraw/zinc/72/64/58/1066726458.db2.gz YHVXHPJKQLMURW-QFZRFWILSA-N 0 0 474.605 4.775 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(F)(F)F)CC1)NC(=O)OC(C)(C)C ZINC001545987824 1066726516 /nfs/dbraw/zinc/72/65/16/1066726516.db2.gz XJJWWRUDXUKFHW-ROUUACIJSA-N 0 0 489.583 4.644 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](COC(C)C)C2)n1 ZINC001492638624 1066726703 /nfs/dbraw/zinc/72/67/03/1066726703.db2.gz IWSSNWLPZDBDEJ-UWJYYQICSA-N 0 0 490.073 4.721 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492638701 1066726974 /nfs/dbraw/zinc/72/69/74/1066726974.db2.gz JNJSBTAHARSZBN-NQIIRXRSSA-N 0 0 453.656 4.883 20 0 JJADRN CCOC(=O)CC[C@@H]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C1 ZINC001446637796 1066727018 /nfs/dbraw/zinc/72/70/18/1066727018.db2.gz OENAEXUQRMODRE-INIZCTEOSA-N 0 0 452.979 4.811 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H]2CC=CCC2)n1 ZINC001492638726 1066727189 /nfs/dbraw/zinc/72/71/89/1066727189.db2.gz JQXRFTLBWVMUPW-SJLPKXTDSA-N 0 0 470.668 4.631 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@H]1c1ccccc1 ZINC001456944494 1066727687 /nfs/dbraw/zinc/72/76/87/1066727687.db2.gz ZRMKJUDEKIMQIE-GOEBONIOSA-N 0 0 459.775 4.949 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@@H]1c1ccccc1 ZINC001456944516 1066727722 /nfs/dbraw/zinc/72/77/22/1066727722.db2.gz ZRMKJUDEKIMQIE-HOCLYGCPSA-N 0 0 459.775 4.949 20 0 JJADRN COc1ccc(C2(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)CCC2)cc1 ZINC001446645551 1066728192 /nfs/dbraw/zinc/72/81/92/1066728192.db2.gz VVNNMJHLKJGUKY-QHCPKHFHSA-N 0 0 450.579 4.768 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 ZINC001456952361 1066728638 /nfs/dbraw/zinc/72/86/38/1066728638.db2.gz ORDDFESHTMYVBG-SFHVURJKSA-N 0 0 457.412 4.855 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCOC[C@H]2C)n1 ZINC001492639486 1066728645 /nfs/dbraw/zinc/72/86/45/1066728645.db2.gz QNVZVASCZNJLIY-UKRRQHHQSA-N 0 0 482.437 4.958 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCOc2cccc(Cl)c2)n1 ZINC001492639392 1066728753 /nfs/dbraw/zinc/72/87/53/1066728753.db2.gz OFSMOQOLCKCXKX-WMZOPIPTSA-N 0 0 476.046 4.909 20 0 JJADRN O=C(c1ccc(-c2ccc(Br)s2)s1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446656077 1066729908 /nfs/dbraw/zinc/72/99/08/1066729908.db2.gz DBOBDEHPSPIUQK-ZDUSSCGKSA-N 0 0 456.427 4.897 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001446656861 1066729924 /nfs/dbraw/zinc/72/99/24/1066729924.db2.gz HIEPUUHDEXWLPU-OAHLLOKOSA-N 0 0 454.514 4.795 20 0 JJADRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCC(OCC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001456961614 1066730190 /nfs/dbraw/zinc/73/01/90/1066730190.db2.gz QAAVCTIUPZDXAL-XMSQKQJNSA-N 0 0 450.982 4.585 20 0 JJADRN CC(C)(C)OC(=O)NCc1ncc(C(=O)NCCn2c3ccccc3c3ccccc32)s1 ZINC001446661980 1066730264 /nfs/dbraw/zinc/73/02/64/1066730264.db2.gz WHKDDSARWGLKJU-UHFFFAOYSA-N 0 0 450.564 4.706 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc1 ZINC001456963599 1066730707 /nfs/dbraw/zinc/73/07/07/1066730707.db2.gz GXQVFSMNHBHWHX-CTNGQTDRSA-N 0 0 456.587 4.558 20 0 JJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(O)cc1F ZINC001446672662 1066730784 /nfs/dbraw/zinc/73/07/84/1066730784.db2.gz UEPAACOIYQLDON-UHFFFAOYSA-N 0 0 458.902 4.815 20 0 JJADRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC001456963325 1066730825 /nfs/dbraw/zinc/73/08/25/1066730825.db2.gz GCGYOBMJLIGFDP-HSZRJFAPSA-N 0 0 450.608 4.888 20 0 JJADRN CCOCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001456965030 1066731162 /nfs/dbraw/zinc/73/11/62/1066731162.db2.gz LMVAZQBINKCFHD-UHFFFAOYSA-N 0 0 458.624 4.560 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC001456964981 1066731324 /nfs/dbraw/zinc/73/13/24/1066731324.db2.gz VSVQGPCELUKGEV-KXBFYZLASA-N 0 0 458.559 4.569 20 0 JJADRN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc2cc(Br)ccc2s1 ZINC001446696634 1066731373 /nfs/dbraw/zinc/73/13/73/1066731373.db2.gz GBFZMAGJXGICQP-CQSZACIVSA-N 0 0 455.171 4.890 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1O ZINC001446694988 1066731451 /nfs/dbraw/zinc/73/14/51/1066731451.db2.gz GRMSOHQPZQOGAM-UHFFFAOYSA-N 0 0 458.308 4.598 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)Oc3ccccc3C)CCO2)n1 ZINC001492640695 1066732205 /nfs/dbraw/zinc/73/22/05/1066732205.db2.gz AVLWHBYISPOSSH-AZUAARDMSA-N 0 0 455.628 4.694 20 0 JJADRN C[C@@]12CCC(=O)N1[C@H](C(=O)Oc1cccc(OCc3cccc(C(F)(F)F)c3)c1)CS2 ZINC001456968723 1066732281 /nfs/dbraw/zinc/73/22/81/1066732281.db2.gz ZGLVAEYTWILBNP-GHTZIAJQSA-N 0 0 451.466 4.644 20 0 JJADRN C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)C1 ZINC001456968138 1066732331 /nfs/dbraw/zinc/73/23/31/1066732331.db2.gz BFUVSSICJRZSCL-MDNUFGMLSA-N 0 0 463.622 4.831 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccccc3C)CCO2)n1 ZINC001492640697 1066732744 /nfs/dbraw/zinc/73/27/44/1066732744.db2.gz AVLWHBYISPOSSH-QUCCMNQESA-N 0 0 455.628 4.694 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)COCc3ccccc3)CCO2)n1 ZINC001492640828 1066732903 /nfs/dbraw/zinc/73/29/03/1066732903.db2.gz DZISZVYXPJBYFT-WIYYLYMNSA-N 0 0 469.655 4.771 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(Cc4ccccc4C)n3CCSC(F)(F)F)CCO2)n1 ZINC001492640763 1066732916 /nfs/dbraw/zinc/73/29/16/1066732916.db2.gz CYCMWTMPWRIEJG-KRWDZBQOSA-N 0 0 483.585 4.773 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC001456969864 1066732973 /nfs/dbraw/zinc/73/29/73/1066732973.db2.gz DRCOIVVHYCSOSX-UQBPGWFLSA-N 0 0 455.555 4.844 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)(F)F)cc3)CCO2)n1 ZINC001492640901 1066733299 /nfs/dbraw/zinc/73/32/99/1066733299.db2.gz GWDKBCMHUWYZID-GOSISDBHSA-N 0 0 481.544 4.766 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC001456975872 1066733361 /nfs/dbraw/zinc/73/33/61/1066733361.db2.gz MKKVNQQGYAEWCB-SFHVURJKSA-N 0 0 454.548 4.548 20 0 JJADRN O=C(NCC[C@@H]1CCC(F)(F)C1)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001456973509 1066733461 /nfs/dbraw/zinc/73/34/61/1066733461.db2.gz IPKNYPKWVPJBTB-LBPRGKRZSA-N 0 0 455.299 4.771 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@@H](C(C)(C)C)C3)cc2)cc1 ZINC001446713549 1066733586 /nfs/dbraw/zinc/73/35/86/1066733586.db2.gz NLOVEXOJDNGHMF-JOCHJYFZSA-N 0 0 456.652 4.971 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCN([C@@H](C)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC001456976060 1066733911 /nfs/dbraw/zinc/73/39/11/1066733911.db2.gz DUHLXKJXXIKDHP-SFHVURJKSA-N 0 0 453.970 4.842 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)N3CCN([C@H](C)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC001456976058 1066734012 /nfs/dbraw/zinc/73/40/12/1066734012.db2.gz DUHLXKJXXIKDHP-GOSISDBHSA-N 0 0 453.970 4.842 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1 ZINC001446716644 1066734236 /nfs/dbraw/zinc/73/42/36/1066734236.db2.gz VOOILPYOHGUDAK-OAQYLSRUSA-N 0 0 459.955 4.620 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC001456977676 1066734562 /nfs/dbraw/zinc/73/45/62/1066734562.db2.gz KJFPQRBQYNXRAI-CVDCTZTESA-N 0 0 458.624 4.559 20 0 JJADRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001446736678 1066734616 /nfs/dbraw/zinc/73/46/16/1066734616.db2.gz SFDCWCLSGIQCCF-HINJULBWSA-N 0 0 453.464 4.619 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(I)c2Br)[C@H]2CCCC[C@@H]12 ZINC001446738697 1066734820 /nfs/dbraw/zinc/73/48/20/1066734820.db2.gz HJOCFDASTMRBMM-YWVKMMECSA-N 0 0 454.171 4.766 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCNC(=O)C(C)C)C2)n1 ZINC001492641732 1066734900 /nfs/dbraw/zinc/73/49/00/1066734900.db2.gz JBFZXLYGQBZFCG-QGZVFWFLSA-N 0 0 473.046 4.520 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCN(C)c3ccccc3)CCO2)n1 ZINC001492641664 1066734947 /nfs/dbraw/zinc/73/49/47/1066734947.db2.gz NNGZBOFPFVDQOM-NRFANRHFSA-N 0 0 468.671 4.736 20 0 JJADRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)[C@H]2CCCC[C@@H]12 ZINC001446746728 1066735308 /nfs/dbraw/zinc/73/53/08/1066735308.db2.gz ZSYABIBANNNXFN-FFSVYQOJSA-N 0 0 457.294 4.699 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(I)c2Br)[C@@H]2CCCC[C@@H]21 ZINC001446738681 1066735408 /nfs/dbraw/zinc/73/54/08/1066735408.db2.gz HJOCFDASTMRBMM-FXPVBKGRSA-N 0 0 454.171 4.766 20 0 JJADRN Cc1sc2ncnc(SCCC(=O)NCCSCc3ccnc(Cl)c3)c2c1C ZINC001446751009 1066735813 /nfs/dbraw/zinc/73/58/13/1066735813.db2.gz VRNNABGYASCFJY-UHFFFAOYSA-N 0 0 453.058 4.888 20 0 JJADRN CCn1cc(Br)c(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)n1 ZINC001545989010 1066735869 /nfs/dbraw/zinc/73/58/69/1066735869.db2.gz YXXINRQEZCAUOZ-UHFFFAOYSA-N 0 0 458.747 4.588 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3ccc(CCNC(=O)OC(C)(C)C)cc3)C2)cc1 ZINC001446753727 1066735976 /nfs/dbraw/zinc/73/59/76/1066735976.db2.gz VWDZZQFQJBIRNX-DEOSSOPVSA-N 0 0 451.611 4.803 20 0 JJADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3ccc(CCNC(=O)OC(C)(C)C)cc3)C2)cc1 ZINC001446753753 1066736007 /nfs/dbraw/zinc/73/60/07/1066736007.db2.gz VWDZZQFQJBIRNX-XMMPIXPASA-N 0 0 451.611 4.803 20 0 JJADRN Cc1cc(OCC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)ccc1Br ZINC001456986260 1066735966 /nfs/dbraw/zinc/73/59/66/1066735966.db2.gz QKZPAHDBEZPWQI-MRXNPFEDSA-N 0 0 451.792 4.695 20 0 JJADRN Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)n1 ZINC001492642576 1066736434 /nfs/dbraw/zinc/73/64/34/1066736434.db2.gz QUZLHASTIHVYKQ-QGPMSJSTSA-N 0 0 460.673 4.858 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C2)n1 ZINC001492642555 1066736453 /nfs/dbraw/zinc/73/64/53/1066736453.db2.gz QNTCRBDOQJJCBX-KRWDZBQOSA-N 0 0 461.035 4.958 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC001456987540 1066736496 /nfs/dbraw/zinc/73/64/96/1066736496.db2.gz DMVMKGUHEJLFJP-NNWDPOBMSA-N 0 0 461.566 4.727 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(Nc2cccnc2)cc1)c1cccc(Br)c1 ZINC001446762100 1066736858 /nfs/dbraw/zinc/73/68/58/1066736858.db2.gz XULQAKLOJVSKBB-HXUWFJFHSA-N 0 0 454.324 4.622 20 0 JJADRN COc1cccc(C2=CCN(C(=O)c3c(F)ccc(I)c3Cl)C2)c1 ZINC001446760814 1066736924 /nfs/dbraw/zinc/73/69/24/1066736924.db2.gz NMMNOIINFLXOEQ-UHFFFAOYSA-N 0 0 457.670 4.632 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C(F)(F)F)cs3)CCO2)n1 ZINC001492642675 1066736842 /nfs/dbraw/zinc/73/68/42/1066736842.db2.gz YIBFWHYMXBQQTO-ZDUSSCGKSA-N 0 0 486.589 4.733 20 0 JJADRN C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(C)(C)O ZINC001456989658 1066737411 /nfs/dbraw/zinc/73/74/11/1066737411.db2.gz GCISULXKCBOVHT-BVZFJXPGSA-N 0 0 458.558 4.542 20 0 JJADRN C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001456992993 1066737475 /nfs/dbraw/zinc/73/74/75/1066737475.db2.gz WKSYODXIQBMSCO-JPYJTQIMSA-N 0 0 451.636 4.618 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1C)OC ZINC001545989244 1066737440 /nfs/dbraw/zinc/73/74/40/1066737440.db2.gz CNEQMHDROOPTNB-JOCHJYFZSA-N 0 0 471.646 4.762 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)C2)cc1 ZINC001446778709 1066737924 /nfs/dbraw/zinc/73/79/24/1066737924.db2.gz GVNZFRJDTWOVME-LOSJGSFVSA-N 0 0 451.611 4.763 20 0 JJADRN CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1 ZINC001456994249 1066737939 /nfs/dbraw/zinc/73/79/39/1066737939.db2.gz WSBWJCBQCAEKFZ-RUZDIDTESA-N 0 0 458.558 4.953 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC(C)C)CCO1 ZINC001546086027 1066738105 /nfs/dbraw/zinc/73/81/05/1066738105.db2.gz XKEXMLSVVNEGCQ-NRFANRHFSA-N 0 0 469.399 4.667 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 ZINC001446781733 1066738622 /nfs/dbraw/zinc/73/86/22/1066738622.db2.gz IQOYWAGQBAJPRY-VPUSJEBWSA-N 0 0 458.558 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc(OCc3ccccc3)ccc2O)C1 ZINC001456996936 1066738538 /nfs/dbraw/zinc/73/85/38/1066738538.db2.gz AULPDKHQKPGFDB-AREMUKBSSA-N 0 0 452.551 4.587 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492643291 1066738651 /nfs/dbraw/zinc/73/86/51/1066738651.db2.gz DPNWPUAWINATLO-KRWDZBQOSA-N 0 0 472.625 4.727 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)n1 ZINC001492643216 1066738706 /nfs/dbraw/zinc/73/87/06/1066738706.db2.gz BXSJZUYHTUELMM-UHFFFAOYSA-N 0 0 472.625 4.729 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccccc3C)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492643267 1066738885 /nfs/dbraw/zinc/73/88/85/1066738885.db2.gz DFILOSFWLBCOIW-NRFANRHFSA-N 0 0 453.656 4.828 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)CC2)c1C ZINC001457000008 1066738981 /nfs/dbraw/zinc/73/89/81/1066738981.db2.gz ALNUAZRANRGYMN-UHFFFAOYSA-N 0 0 453.539 4.501 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001446785901 1066739084 /nfs/dbraw/zinc/73/90/84/1066739084.db2.gz DBLCMTMAAKQJCB-SCFJQAPRSA-N 0 0 452.395 4.935 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccsc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)n1 ZINC001492643427 1066739211 /nfs/dbraw/zinc/73/92/11/1066739211.db2.gz IRXYTTBONHDJTL-KRWDZBQOSA-N 0 0 498.644 4.791 20 0 JJADRN Cc1csc(CCCCn2c(N(C)Cc3ccc4c(c3)OCCO4)nnc2C(C)(C)C)n1 ZINC001492643429 1066739349 /nfs/dbraw/zinc/73/93/49/1066739349.db2.gz IUESAXGXVQEVOW-UHFFFAOYSA-N 0 0 455.628 4.771 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2)cc1 ZINC001446789138 1066739549 /nfs/dbraw/zinc/73/95/49/1066739549.db2.gz RRFCYCVCPBSSIT-ZEQRLZLVSA-N 0 0 451.611 4.558 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)cc2)C1 ZINC001446789841 1066740041 /nfs/dbraw/zinc/74/00/41/1066740041.db2.gz FZXOTNFFJXQUPM-UXHICEINSA-N 0 0 458.599 4.656 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC001446789915 1066740083 /nfs/dbraw/zinc/74/00/83/1066740083.db2.gz GWUYEZLSONNTMJ-PMACEKPBSA-N 0 0 458.599 4.799 20 0 JJADRN COc1cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001457007720 1066740107 /nfs/dbraw/zinc/74/01/07/1066740107.db2.gz IWDZNPBWIJAALV-YHYVQYDKSA-N 0 0 453.583 4.818 20 0 JJADRN Cc1csc(CCCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOCC2)n1 ZINC001492643882 1066740212 /nfs/dbraw/zinc/74/02/12/1066740212.db2.gz UEICGIILKQQGHQ-UHFFFAOYSA-N 0 0 469.655 4.779 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC001457009380 1066740535 /nfs/dbraw/zinc/74/05/35/1066740535.db2.gz LFTPGDSDKVVETC-GOSISDBHSA-N 0 0 451.548 4.547 20 0 JJADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)o1 ZINC001457009307 1066740545 /nfs/dbraw/zinc/74/05/45/1066740545.db2.gz KGDIDUXFWXDIJQ-YWZLYKJASA-N 0 0 450.988 4.639 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC001457009360 1066740607 /nfs/dbraw/zinc/74/06/07/1066740607.db2.gz MRDIDLBAGNSZDB-XHCCPWGMSA-N 0 0 452.595 4.726 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC001446793954 1066740668 /nfs/dbraw/zinc/74/06/68/1066740668.db2.gz WHDXGBAODABZJI-QPPBQGQZSA-N 0 0 453.535 4.609 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(Cl)c2)n1 ZINC001492643901 1066740541 /nfs/dbraw/zinc/74/05/41/1066740541.db2.gz DIKUJEIZZJRCBV-UHFFFAOYSA-N 0 0 473.046 4.592 20 0 JJADRN Cc1csc(CCCCn2c(N(C)CC(=O)NC(C)(C)C)nnc2C2(c3ccccc3)CCC2)n1 ZINC001492644009 1066740652 /nfs/dbraw/zinc/74/06/52/1066740652.db2.gz WBZFYYXSGYCVNF-UHFFFAOYSA-N 0 0 494.709 4.887 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)n1 ZINC001492643933 1066740674 /nfs/dbraw/zinc/74/06/74/1066740674.db2.gz DUQVPJFAXCDOQZ-GOSISDBHSA-N 0 0 478.588 4.806 20 0 JJADRN Cc1csc(CCCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOCC2)n1 ZINC001492644019 1066740692 /nfs/dbraw/zinc/74/06/92/1066740692.db2.gz FQSKCVATEMLGJJ-HXUWFJFHSA-N 0 0 455.628 4.659 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001457009432 1066741122 /nfs/dbraw/zinc/74/11/22/1066741122.db2.gz BBICZHHZTUYWPP-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN Cc1csc(CCCCn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCCO2)n1 ZINC001492644161 1066741129 /nfs/dbraw/zinc/74/11/29/1066741129.db2.gz YKVIUFSVRZYXNX-OAQYLSRUSA-N 0 0 457.619 4.801 20 0 JJADRN O=C(CCNC(=O)c1oc2ccccc2c1CSc1cccs1)NCc1ccccn1 ZINC001446795814 1066741219 /nfs/dbraw/zinc/74/12/19/1066741219.db2.gz MKEYZXKSYCDJCT-UHFFFAOYSA-N 0 0 451.573 4.618 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001457012185 1066741620 /nfs/dbraw/zinc/74/16/20/1066741620.db2.gz PJBHBFJFWMRGNZ-UHFFFAOYSA-N 0 0 453.438 4.733 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1C(F)(F)F ZINC001457011394 1066741793 /nfs/dbraw/zinc/74/17/93/1066741793.db2.gz PZYXLEOGOARVLV-UKRRQHHQSA-N 0 0 458.402 4.950 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)CC(N)=O)n1 ZINC001492644216 1066741742 /nfs/dbraw/zinc/74/17/42/1066741742.db2.gz IDRINGHVRMZTAD-AWEZNQCLSA-N 0 0 481.453 4.740 20 0 JJADRN CC(C)N(CC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C(=O)OC(C)(C)C ZINC001446802575 1066741859 /nfs/dbraw/zinc/74/18/59/1066741859.db2.gz VESNFYVMNUBIPJ-UHFFFAOYSA-N 0 0 458.430 4.720 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001446801296 1066741879 /nfs/dbraw/zinc/74/18/79/1066741879.db2.gz WRZPEVXKDZFXOO-UTKZUKDTSA-N 0 0 453.549 4.608 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1OC ZINC001457012917 1066742194 /nfs/dbraw/zinc/74/21/94/1066742194.db2.gz SVUHYCGTHIHBBI-HNNXBMFYSA-N 0 0 456.539 4.826 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001457013310 1066742346 /nfs/dbraw/zinc/74/23/46/1066742346.db2.gz UTABBTJAIWHSFP-NQIIRXRSSA-N 0 0 456.583 4.797 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)c2ccccc2Cl)c(OC)c1 ZINC001457013088 1066742408 /nfs/dbraw/zinc/74/24/08/1066742408.db2.gz IBBGZRWSQDFUNB-SFHVURJKSA-N 0 0 451.832 4.685 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)C2=O)cc1 ZINC001457013761 1066742683 /nfs/dbraw/zinc/74/26/83/1066742683.db2.gz RIPLKLWCJVBCSY-XMSQKQJNSA-N 0 0 451.567 4.506 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001446809516 1066742731 /nfs/dbraw/zinc/74/27/31/1066742731.db2.gz KACOWKQUKJZPIC-GOSISDBHSA-N 0 0 450.505 4.764 20 0 JJADRN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC001492644474 1066742855 /nfs/dbraw/zinc/74/28/55/1066742855.db2.gz PGCKCXOORICZAP-UHFFFAOYSA-N 0 0 484.645 4.681 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC001446809737 1066743404 /nfs/dbraw/zinc/74/34/04/1066743404.db2.gz WFTZUNHYCIDKRX-AWEZNQCLSA-N 0 0 457.361 4.938 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC001492644686 1066743371 /nfs/dbraw/zinc/74/33/71/1066743371.db2.gz WRYCGZKGWAWTGM-SFHVURJKSA-N 0 0 470.618 4.638 20 0 JJADRN Cc1csc([C@@H]2CN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492644743 1066743755 /nfs/dbraw/zinc/74/37/55/1066743755.db2.gz YGXPNACOZHJCFB-BKMJKUGQSA-N 0 0 483.682 4.593 20 0 JJADRN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001457016151 1066743905 /nfs/dbraw/zinc/74/39/05/1066743905.db2.gz WTGZXZFFVIKMGM-QFIPXVFZSA-N 0 0 455.576 4.912 20 0 JJADRN CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)C(C)(C)C1 ZINC001446812084 1066743907 /nfs/dbraw/zinc/74/39/07/1066743907.db2.gz DPFUGRNVQBDJAV-GOSISDBHSA-N 0 0 454.640 4.802 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC001446812660 1066744101 /nfs/dbraw/zinc/74/41/01/1066744101.db2.gz QCSJPVDJZIGWOM-VDGAXYAQSA-N 0 0 469.548 4.684 20 0 JJADRN CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1C(F)F ZINC001457018479 1066744488 /nfs/dbraw/zinc/74/44/88/1066744488.db2.gz MKUWKHMLHFAUSJ-UHFFFAOYSA-N 0 0 453.371 4.759 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)C2=O)cc1 ZINC001457019863 1066744813 /nfs/dbraw/zinc/74/48/13/1066744813.db2.gz XWCVMZGMOGQZRU-HSZRJFAPSA-N 0 0 451.954 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001492645051 1066744994 /nfs/dbraw/zinc/74/49/94/1066744994.db2.gz JJTOWUUVLMDZRK-INIZCTEOSA-N 0 0 497.024 4.620 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)CCc2ccc3c(c2)CCO3)cc1OC ZINC001457020417 1066745453 /nfs/dbraw/zinc/74/54/53/1066745453.db2.gz QDUFLOAXQACXAD-UHFFFAOYSA-N 0 0 451.588 4.904 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(Br)cn3ccnc23)cc1 ZINC001457021144 1066745513 /nfs/dbraw/zinc/74/55/13/1066745513.db2.gz QTGGVBWXJGUWQI-ZDUSSCGKSA-N 0 0 459.344 4.935 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H](C)C2)c1 ZINC001492645230 1066745523 /nfs/dbraw/zinc/74/55/23/1066745523.db2.gz OQYYNCYTYQTFGH-PKOBYXMFSA-N 0 0 488.057 4.683 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1 ZINC001446826564 1066745704 /nfs/dbraw/zinc/74/57/04/1066745704.db2.gz PCHBREUSGMBKLG-UHFFFAOYSA-N 0 0 452.551 4.870 20 0 JJADRN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001457022125 1066746002 /nfs/dbraw/zinc/74/60/02/1066746002.db2.gz OYKIULOTIKFHFV-INIZCTEOSA-N 0 0 453.995 4.688 20 0 JJADRN COc1ccccc1O[C@H](C)CNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001457022282 1066746055 /nfs/dbraw/zinc/74/60/55/1066746055.db2.gz AEQNIEYIMHIBHR-OAHLLOKOSA-N 0 0 457.324 4.842 20 0 JJADRN O=C(NCCNc1cccc(Br)c1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001446835598 1066746140 /nfs/dbraw/zinc/74/61/40/1066746140.db2.gz LBUOFDGJVNIOBI-UHFFFAOYSA-N 0 0 454.155 4.784 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NC3(c4cccc(F)c4)CCOCC3)s2)cc1OC ZINC001457024058 1066746432 /nfs/dbraw/zinc/74/64/32/1066746432.db2.gz YOCSOZSZIBVMAX-UHFFFAOYSA-N 0 0 456.539 4.711 20 0 JJADRN Cc1cc(Br)c(O)c(NC(=O)c2cc(Br)cnc2OCC2CC2)c1 ZINC001446840177 1066746634 /nfs/dbraw/zinc/74/66/34/1066746634.db2.gz JCYGBWJFVYRPLO-UHFFFAOYSA-N 0 0 456.134 4.662 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)c1ccccc1C ZINC001457025098 1066746986 /nfs/dbraw/zinc/74/69/86/1066746986.db2.gz FJEBYHMVUCYZNB-NRFANRHFSA-N 0 0 453.970 4.934 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)c2ccc(Cl)cc2)c1 ZINC001457025387 1066747077 /nfs/dbraw/zinc/74/70/77/1066747077.db2.gz GNTJXJXLTKUVMS-XZOQPEGZSA-N 0 0 457.954 4.818 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC2([S@@](C)=O)CC2)c1 ZINC001492645678 1066747121 /nfs/dbraw/zinc/74/71/21/1066747121.db2.gz FHOKBIMIXMHPEM-MUUNZHRXSA-N 0 0 479.469 4.625 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC(F)(F)F)c1 ZINC001492645994 1066747829 /nfs/dbraw/zinc/74/78/29/1066747829.db2.gz RATBFSXCAODPSX-ZDUSSCGKSA-N 0 0 497.612 4.816 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C[S@](C)=O)cc2)c1 ZINC001492645968 1066747956 /nfs/dbraw/zinc/74/79/56/1066747956.db2.gz QBGFWBONIRQNQY-YTTGMZPUSA-N 0 0 486.066 4.927 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001446848370 1066748263 /nfs/dbraw/zinc/74/82/63/1066748263.db2.gz MWOIOSKVJSAJPK-SFHVURJKSA-N 0 0 450.645 4.810 20 0 JJADRN Cc1ccsc1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC001446849933 1066748314 /nfs/dbraw/zinc/74/83/14/1066748314.db2.gz RZZSCPGQQPPLHW-KRWDZBQOSA-N 0 0 453.402 4.744 20 0 JJADRN CCc1c(C(=O)N2CCc3cc(Br)cc(F)c3C2)cnn1-c1ccccc1OC ZINC001446858588 1066748877 /nfs/dbraw/zinc/74/88/77/1066748877.db2.gz VJFJVEVAQJHRBU-UHFFFAOYSA-N 0 0 458.331 4.543 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)CC2 ZINC001446855930 1066748923 /nfs/dbraw/zinc/74/89/23/1066748923.db2.gz LLSWRCIOIZFKGH-UHFFFAOYSA-N 0 0 451.405 4.727 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)CC2 ZINC001446857283 1066748956 /nfs/dbraw/zinc/74/89/56/1066748956.db2.gz QCLZJSRHSLXPRP-PKOBYXMFSA-N 0 0 451.405 4.726 20 0 JJADRN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccccc1Nc1c(F)cccc1F ZINC001446862619 1066749281 /nfs/dbraw/zinc/74/92/81/1066749281.db2.gz WCDJTLKAQNQDMS-UHFFFAOYSA-N 0 0 451.260 4.779 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)Oc1ccc(Oc2nccs2)cc1)C(=O)N1CCCC1 ZINC001457034094 1066749586 /nfs/dbraw/zinc/74/95/86/1066749586.db2.gz CNEHVEFGOWNOJW-OAHLLOKOSA-N 0 0 455.561 4.653 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(C)cc(Br)c1N ZINC001446865265 1066749880 /nfs/dbraw/zinc/74/98/80/1066749880.db2.gz BWWGFWSNUKBBHD-DIFFPNOSSA-N 0 0 456.178 4.608 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC001492646559 1066749906 /nfs/dbraw/zinc/74/99/06/1066749906.db2.gz LVXJPKWQCPCNKP-KRWDZBQOSA-N 0 0 456.616 4.507 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccn3C)n2CCOc2cccc(C(F)(F)F)n2)c1 ZINC001492646624 1066750033 /nfs/dbraw/zinc/75/00/33/1066750033.db2.gz NJAVRYNYAALUOW-UHFFFAOYSA-N 0 0 476.528 4.783 20 0 JJADRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001457038083 1066750032 /nfs/dbraw/zinc/75/00/32/1066750032.db2.gz XAMLSWRQDICHCB-IFXJQAMLSA-N 0 0 451.336 4.957 20 0 JJADRN COCCn1ccc2ccc(NC(=O)CN(C(=O)OC(C)(C)C)c3cccc(OC)c3)cc21 ZINC001446872552 1066750416 /nfs/dbraw/zinc/75/04/16/1066750416.db2.gz NDOSNYNMHBUBRE-UHFFFAOYSA-N 0 0 453.539 4.677 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)c1 ZINC001492646838 1066750424 /nfs/dbraw/zinc/75/04/24/1066750424.db2.gz SYICYWPYUVPKJS-CJAUYULYSA-N 0 0 489.686 4.560 20 0 JJADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001457042319 1066750474 /nfs/dbraw/zinc/75/04/74/1066750474.db2.gz WIYWSLLZABBHAX-FXAWDEMLSA-N 0 0 450.362 4.900 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001446872319 1066750553 /nfs/dbraw/zinc/75/05/53/1066750553.db2.gz VGEMYEXZXDCRSS-UHFFFAOYSA-N 0 0 452.477 4.806 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)(C)C)C1)OC ZINC001545990374 1066750587 /nfs/dbraw/zinc/75/05/87/1066750587.db2.gz RRFBSVRUMIVLJX-VQTJNVASSA-N 0 0 463.667 4.690 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001446874319 1066750945 /nfs/dbraw/zinc/75/09/45/1066750945.db2.gz RCMKCGKUQSUJOE-HOTGVXAUSA-N 0 0 459.940 4.635 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(Br)c(C)c1N ZINC001446873715 1066750980 /nfs/dbraw/zinc/75/09/80/1066750980.db2.gz PLHLPOZIOWZGGW-PIGZYNQJSA-N 0 0 456.178 4.608 20 0 JJADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001446874321 1066751008 /nfs/dbraw/zinc/75/10/08/1066751008.db2.gz RCMKCGKUQSUJOE-HZPDHXFCSA-N 0 0 459.940 4.635 20 0 JJADRN Cc1csc(CN(C)c2nnc(CC(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)c1 ZINC001492647400 1066751464 /nfs/dbraw/zinc/75/14/64/1066751464.db2.gz KXXSOWFOVXPYJT-UHFFFAOYSA-N 0 0 467.565 4.794 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)(F)F)cc2)c1 ZINC001492646256 1066751488 /nfs/dbraw/zinc/75/14/88/1066751488.db2.gz AWQDAHOKVVKYBR-UHFFFAOYSA-N 0 0 460.485 4.688 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)C1(CC)CC ZINC001457054297 1066751605 /nfs/dbraw/zinc/75/16/05/1066751605.db2.gz RHFKUGCZZPDTEB-ZWKOTPCHSA-N 0 0 451.036 4.811 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001446878593 1066752279 /nfs/dbraw/zinc/75/22/79/1066752279.db2.gz KEUFDUVJPGWBOY-GFCCVEGCSA-N 0 0 451.741 4.898 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001446880516 1066752303 /nfs/dbraw/zinc/75/23/03/1066752303.db2.gz OJVFGVRANVBWNY-LJQANCHMSA-N 0 0 455.389 4.790 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC001446880854 1066752457 /nfs/dbraw/zinc/75/24/57/1066752457.db2.gz POSUIOWHSNQGIX-CYBMUJFWSA-N 0 0 451.379 4.621 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC001446880858 1066752473 /nfs/dbraw/zinc/75/24/73/1066752473.db2.gz POSUIOWHSNQGIX-ZDUSSCGKSA-N 0 0 451.379 4.621 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CCOCC2)c1 ZINC001492647971 1066752951 /nfs/dbraw/zinc/75/29/51/1066752951.db2.gz CUIROOYYDZNZQC-FQEVSTJZSA-N 0 0 475.659 4.783 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nc(C)no2)c1 ZINC001492648325 1066753502 /nfs/dbraw/zinc/75/35/02/1066753502.db2.gz QTLHPDXUDIXALM-UYAOXDASSA-N 0 0 458.632 4.527 20 0 JJADRN Cc1ccc2occ(CC(=O)N[C@@H](c3ccc(F)cc3)c3cccc(S(C)(=O)=O)c3)c2c1 ZINC001457069532 1066754607 /nfs/dbraw/zinc/75/46/07/1066754607.db2.gz WMCWXTLIIVYULA-VWLOTQADSA-N 0 0 451.519 4.732 20 0 JJADRN CCc1ccc([C@H](NC(=O)/C=C/c2ccnc(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457068080 1066754668 /nfs/dbraw/zinc/75/46/68/1066754668.db2.gz FZGHHAUKSKJXFU-LUFJGRFYSA-N 0 0 454.979 4.620 20 0 JJADRN O=C(c1cc(Cl)ccc1I)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001457068676 1066754842 /nfs/dbraw/zinc/75/48/42/1066754842.db2.gz LVQXJMJGGRGWEL-HNNXBMFYSA-N 0 0 455.723 4.888 20 0 JJADRN Cc1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](OCC(C)C)C2)n1 ZINC001492648602 1066755033 /nfs/dbraw/zinc/75/50/33/1066755033.db2.gz CAYIMWPPYXHRLX-GOSISDBHSA-N 0 0 463.554 4.611 20 0 JJADRN CSc1cc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccn1 ZINC001446905809 1066755358 /nfs/dbraw/zinc/75/53/58/1066755358.db2.gz OLCRWYLEHVIAFN-UHFFFAOYSA-N 0 0 456.365 4.748 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(F)c(F)c2)n1 ZINC001492648930 1066755613 /nfs/dbraw/zinc/75/56/13/1066755613.db2.gz MOLXYEKDEZWUJE-UHFFFAOYSA-N 0 0 479.354 4.764 20 0 JJADRN C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908604 1066755799 /nfs/dbraw/zinc/75/57/99/1066755799.db2.gz KEVNEZFSGJAUSE-GJZGRUSLSA-N 0 0 452.967 4.584 20 0 JJADRN C[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446915546 1066756422 /nfs/dbraw/zinc/75/64/22/1066756422.db2.gz ZPGMKHJMKXDARE-ZDUSSCGKSA-N 0 0 455.992 4.945 20 0 JJADRN CC(C)c1ccccc1OCCC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 ZINC001446910571 1066756453 /nfs/dbraw/zinc/75/64/53/1066756453.db2.gz HWIMFYYBUBBJGQ-LJQANCHMSA-N 0 0 453.583 4.995 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)n1 ZINC001492649486 1066756414 /nfs/dbraw/zinc/75/64/14/1066756414.db2.gz FGZCRJHIPHOWPG-UHFFFAOYSA-N 0 0 480.682 4.797 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)c2csc(-c3cccc(Cl)c3)n2)[nH]n1 ZINC001446927475 1066757004 /nfs/dbraw/zinc/75/70/04/1066757004.db2.gz MTABNDUKHVHFGD-UHFFFAOYSA-N 0 0 452.923 4.570 20 0 JJADRN CCc1ccc([C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457079719 1066757180 /nfs/dbraw/zinc/75/71/80/1066757180.db2.gz UQBBNINXJWJHBK-XMMPIXPASA-N 0 0 459.970 4.893 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492649934 1066757428 /nfs/dbraw/zinc/75/74/28/1066757428.db2.gz UVBPQELUTBOLJZ-QGZVFWFLSA-N 0 0 452.411 4.926 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccc(Cl)cc2)n1 ZINC001492649943 1066757524 /nfs/dbraw/zinc/75/75/24/1066757524.db2.gz VCGYVFYYGHZEEI-UHFFFAOYSA-N 0 0 475.405 4.975 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)n1 ZINC001492650803 1066758013 /nfs/dbraw/zinc/75/80/13/1066758013.db2.gz UZLKHHUVUVXEOP-AEFFLSMTSA-N 0 0 494.434 4.895 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546086902 1066758149 /nfs/dbraw/zinc/75/81/49/1066758149.db2.gz AXLUJHOEWDZPLM-UKJJDJLKSA-N 0 0 460.688 4.795 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001546086900 1066758306 /nfs/dbraw/zinc/75/83/06/1066758306.db2.gz AXLUJHOEWDZPLM-GOXGLGGOSA-N 0 0 460.688 4.795 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545990805 1066758210 /nfs/dbraw/zinc/75/82/10/1066758210.db2.gz YJJSRZDXFTXWQI-WSTZPKSXSA-N 0 0 490.674 4.582 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCCCO2)n1 ZINC001492650995 1066758451 /nfs/dbraw/zinc/75/84/51/1066758451.db2.gz AANKXAILYRLXDS-NRFANRHFSA-N 0 0 469.655 4.973 20 0 JJADRN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cc(Cl)ccc1I ZINC001446958444 1066758699 /nfs/dbraw/zinc/75/86/99/1066758699.db2.gz YANPWPCMEACNSI-ZDUSSCGKSA-N 0 0 455.601 4.793 20 0 JJADRN COc1ccc([C@@H](CO)N(C)C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1 ZINC001446958895 1066758706 /nfs/dbraw/zinc/75/87/06/1066758706.db2.gz YSWOWDIWMODCOK-GOSISDBHSA-N 0 0 450.482 4.952 20 0 JJADRN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC001446955498 1066758732 /nfs/dbraw/zinc/75/87/32/1066758732.db2.gz FVCHXUMQKGQDCM-LJQANCHMSA-N 0 0 459.970 4.979 20 0 JJADRN O=C(Oc1ccc(-c2cscn2)cc1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001457086518 1066758799 /nfs/dbraw/zinc/75/87/99/1066758799.db2.gz BDGRCYVFOGFUOJ-LJQANCHMSA-N 0 0 457.349 4.783 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4ccc(Br)cc4)n3CCC(C)(F)F)CC2)n1 ZINC001492651796 1066759248 /nfs/dbraw/zinc/75/92/48/1066759248.db2.gz CSUVHTOMTJSSCU-UHFFFAOYSA-N 0 0 497.413 4.844 20 0 JJADRN Cc1csc(Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)n1 ZINC001492651699 1066759288 /nfs/dbraw/zinc/75/92/88/1066759288.db2.gz ZSGQUOHAUBFSTI-KRWDZBQOSA-N 0 0 453.637 4.907 20 0 JJADRN Cc1csc(Cn2c(CCc3ccccc3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC001492651676 1066759317 /nfs/dbraw/zinc/75/93/17/1066759317.db2.gz ZADPKUQGDOCDJF-UHFFFAOYSA-N 0 0 496.681 4.618 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)Cc2ccon2)n1 ZINC001492651656 1066759372 /nfs/dbraw/zinc/75/93/72/1066759372.db2.gz YJQZVCLSDGZXEX-UHFFFAOYSA-N 0 0 465.366 4.602 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N=[S@@](C)(=O)c3ccc(Cl)cc3)cc2C1 ZINC001457093758 1066759681 /nfs/dbraw/zinc/75/96/81/1066759681.db2.gz QSKXNNJXOWPBLC-LJAQVGFWSA-N 0 0 455.001 4.992 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC001446967633 1066759898 /nfs/dbraw/zinc/75/98/98/1066759898.db2.gz ACFNJIBGOWIBCW-UHFFFAOYSA-N 0 0 452.555 4.694 20 0 JJADRN Cc1csc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2cccc(F)c2)n1 ZINC001492651978 1066759825 /nfs/dbraw/zinc/75/98/25/1066759825.db2.gz KAMUJTNZTZYVOX-IBGZPJMESA-N 0 0 486.617 4.939 20 0 JJADRN Cc1cscc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001492652599 1066760272 /nfs/dbraw/zinc/76/02/72/1066760272.db2.gz JAMLYJMVLZJTNB-SLFFLAALSA-N 0 0 490.695 4.711 20 0 JJADRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)ccc2NC1=O ZINC001457094259 1066760321 /nfs/dbraw/zinc/76/03/21/1066760321.db2.gz PDECFHLVAJNXDP-SGTLLEGYSA-N 0 0 459.424 4.961 20 0 JJADRN Cc1cscc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001492652524 1066760395 /nfs/dbraw/zinc/76/03/95/1066760395.db2.gz GSIPMMYZSAUJJG-GOSISDBHSA-N 0 0 485.629 4.670 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001446975108 1066760457 /nfs/dbraw/zinc/76/04/57/1066760457.db2.gz WYAWJXAESZQMGA-AZUAARDMSA-N 0 0 454.615 4.846 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c(O)c1)c1cc(F)cc(F)c1 ZINC001446978640 1066760959 /nfs/dbraw/zinc/76/09/59/1066760959.db2.gz GJZFJGOONCLKIC-FQEVSTJZSA-N 0 0 456.420 4.706 20 0 JJADRN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001492653272 1066761493 /nfs/dbraw/zinc/76/14/93/1066761493.db2.gz CJSPODZMSAMOHW-UHFFFAOYSA-N 0 0 457.688 4.760 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446981574 1066761550 /nfs/dbraw/zinc/76/15/50/1066761550.db2.gz LRXASTWJRNSXSS-GOSISDBHSA-N 0 0 450.505 4.742 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1 ZINC001492653721 1066761833 /nfs/dbraw/zinc/76/18/33/1066761833.db2.gz LIKAYEUAHRPUPQ-LJQANCHMSA-N 0 0 482.654 4.842 20 0 JJADRN Cc1c(C(=O)NCc2ccccc2N2CCCCC2)cnn1-c1ccc(Br)cc1 ZINC001446984457 1066761925 /nfs/dbraw/zinc/76/19/25/1066761925.db2.gz ADAQZJIKYYSNRT-UHFFFAOYSA-N 0 0 453.384 4.864 20 0 JJADRN Cc1cscc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1 ZINC001492653692 1066761991 /nfs/dbraw/zinc/76/19/91/1066761991.db2.gz DRNOAONBQWWNLX-UHFFFAOYSA-N 0 0 472.412 4.969 20 0 JJADRN CC[C@@]1(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985480 1066762027 /nfs/dbraw/zinc/76/20/27/1066762027.db2.gz QFEIFXCZMMENAW-DFBJGRDBSA-N 0 0 459.635 4.738 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001492653755 1066762371 /nfs/dbraw/zinc/76/23/71/1066762371.db2.gz MJZBELLPCXAVHU-UHFFFAOYSA-N 0 0 466.504 4.774 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC001446987394 1066762422 /nfs/dbraw/zinc/76/24/22/1066762422.db2.gz XCPLYQVWQXKHBS-DOPJRALCSA-N 0 0 450.967 4.567 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001492653948 1066762896 /nfs/dbraw/zinc/76/28/96/1066762896.db2.gz JDARIDUMPJXLMI-OKILXGFUSA-N 0 0 465.392 4.879 20 0 JJADRN O=C(c1c(F)ccc(Br)c1F)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001446989851 1066763109 /nfs/dbraw/zinc/76/31/09/1066763109.db2.gz WEUXKIJOJUFMFA-ZDUSSCGKSA-N 0 0 453.331 4.913 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(o1)CCCC2)c1ccc(Br)cc1 ZINC001457102756 1066763047 /nfs/dbraw/zinc/76/30/47/1066763047.db2.gz QNFVJBGLLIOCIQ-INIZCTEOSA-N 0 0 450.333 4.520 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001492654236 1066763380 /nfs/dbraw/zinc/76/33/80/1066763380.db2.gz PLMFJIQGSHWODU-INIZCTEOSA-N 0 0 487.345 4.893 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001446994832 1066763566 /nfs/dbraw/zinc/76/35/66/1066763566.db2.gz QIZOHBHWGDRVHG-CVEARBPZSA-N 0 0 451.995 4.795 20 0 JJADRN CCCN(C(=O)c1ccc(I)cn1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001457105865 1066763882 /nfs/dbraw/zinc/76/38/82/1066763882.db2.gz IAOKFOKPYBMGOW-MSOLQXFVSA-N 0 0 456.368 4.666 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc21 ZINC001457105517 1066764005 /nfs/dbraw/zinc/76/40/05/1066764005.db2.gz ZHHBUYVRWLVFGG-SEDGDDRASA-N 0 0 458.514 4.524 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001446996708 1066763932 /nfs/dbraw/zinc/76/39/32/1066763932.db2.gz UJTWRHDEWSGGLA-GJZGRUSLSA-N 0 0 455.393 4.706 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991463 1066763959 /nfs/dbraw/zinc/76/39/59/1066763959.db2.gz OWMCAXSYZMIYBF-GAJHUEQPSA-N 0 0 451.640 4.627 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)n(-c2nccs2)c1C ZINC001545991464 1066764119 /nfs/dbraw/zinc/76/41/19/1066764119.db2.gz OWMCAXSYZMIYBF-HXOBKFHXSA-N 0 0 451.640 4.627 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC001446996720 1066764144 /nfs/dbraw/zinc/76/41/44/1066764144.db2.gz UJTWRHDEWSGGLA-LSDHHAIUSA-N 0 0 455.393 4.706 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492654703 1066764294 /nfs/dbraw/zinc/76/42/94/1066764294.db2.gz ZIEZKKQDRHJXQB-RDTXWAMCSA-N 0 0 489.045 4.761 20 0 JJADRN Cc1nc(C)c(CCn2c(C(C)C)nnc2N(CCO)Cc2cc(Br)ccc2F)s1 ZINC001492654839 1066764338 /nfs/dbraw/zinc/76/43/38/1066764338.db2.gz DQOHQCQXSUMNAI-UHFFFAOYSA-N 0 0 496.450 4.618 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)c2ccco2)CCO1 ZINC001546087348 1066764252 /nfs/dbraw/zinc/76/42/52/1066764252.db2.gz KQWGUHWMJCWOIU-DHIUTWEWSA-N 0 0 489.414 4.522 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2)n1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001457109942 1066764372 /nfs/dbraw/zinc/76/43/72/1066764372.db2.gz PPIYCWPCGHWQPS-SFHVURJKSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001492654576 1066764382 /nfs/dbraw/zinc/76/43/82/1066764382.db2.gz WXAKNJGXWCQDLO-SFHVURJKSA-N 0 0 489.045 4.857 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001447001929 1066764590 /nfs/dbraw/zinc/76/45/90/1066764590.db2.gz DFBNJLIXWNISFQ-UHFFFAOYSA-N 0 0 451.260 4.815 20 0 JJADRN Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)s1 ZINC001492654786 1066764872 /nfs/dbraw/zinc/76/48/72/1066764872.db2.gz CJEGSPMVRYLMOE-JOCHJYFZSA-N 0 0 457.619 4.807 20 0 JJADRN Cc1cscc1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492655229 1066765165 /nfs/dbraw/zinc/76/51/65/1066765165.db2.gz DKUYDBRECNRJJY-GOSISDBHSA-N 0 0 459.660 4.875 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001447011327 1066765552 /nfs/dbraw/zinc/76/55/52/1066765552.db2.gz RHVUQTYWMZDXLU-SZNDQCEHSA-N 0 0 451.354 4.765 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2Cc2sccc2Br)CCO1 ZINC001546087369 1066765925 /nfs/dbraw/zinc/76/59/25/1066765925.db2.gz KVZHWYYUPDPHHX-OAQYLSRUSA-N 0 0 477.428 4.831 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492655382 1066766249 /nfs/dbraw/zinc/76/62/49/1066766249.db2.gz POPXHBASAHQYCD-JSRFKQPZSA-N 0 0 482.679 4.534 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cc1cccc(C(F)(F)F)n1)CC2 ZINC001457117721 1066766393 /nfs/dbraw/zinc/76/63/93/1066766393.db2.gz PJYDGAOEIMYLBP-IBGZPJMESA-N 0 0 455.521 4.527 20 0 JJADRN O=C(NCCOCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001447021628 1066766553 /nfs/dbraw/zinc/76/65/53/1066766553.db2.gz BLNJMPYXAYOZEG-MRXNPFEDSA-N 0 0 450.366 4.570 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCC2CCOCC2)s1 ZINC001492655591 1066766736 /nfs/dbraw/zinc/76/67/36/1066766736.db2.gz KEWCXVMIOUVXSO-UHFFFAOYSA-N 0 0 496.681 4.716 20 0 JJADRN Cc1cscc1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492655627 1066766870 /nfs/dbraw/zinc/76/68/70/1066766870.db2.gz LELYEBIRYIVXIA-HSZRJFAPSA-N 0 0 462.566 4.652 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)s1 ZINC001492655646 1066766883 /nfs/dbraw/zinc/76/68/83/1066766883.db2.gz VHIRQDPNUCNAMM-MRXNPFEDSA-N 0 0 465.595 4.804 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991708 1066766847 /nfs/dbraw/zinc/76/68/47/1066766847.db2.gz XJXASUSSLJPGFM-XDHUDOTRSA-N 0 0 452.002 4.806 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H](CSc3ccccc3)C2)Cc2ccccc2C1 ZINC001457122856 1066767040 /nfs/dbraw/zinc/76/70/40/1066767040.db2.gz JWAXWUZQBNLNQR-IBGZPJMESA-N 0 0 452.620 4.690 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001447026319 1066767223 /nfs/dbraw/zinc/76/72/23/1066767223.db2.gz JQVKOAFGIJFKFI-GOSISDBHSA-N 0 0 457.398 4.806 20 0 JJADRN CC[C@H](CSC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447023127 1066767242 /nfs/dbraw/zinc/76/72/42/1066767242.db2.gz GCMUNBWOTMYWOY-LJQANCHMSA-N 0 0 452.620 4.905 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)s1 ZINC001492655784 1066767246 /nfs/dbraw/zinc/76/72/46/1066767246.db2.gz YNXDKDWPWBGQBA-PXAZEXFGSA-N 0 0 464.408 4.818 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c(NC(=O)OC(C)(C)C)cnn2C)cc1 ZINC001457124162 1066767578 /nfs/dbraw/zinc/76/75/78/1066767578.db2.gz IKKLAVMFAGCCSH-MRXNPFEDSA-N 0 0 450.539 4.934 20 0 JJADRN Cc1cscc1Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492655793 1066767886 /nfs/dbraw/zinc/76/78/86/1066767886.db2.gz NYIUTLFVQLJMPM-PGRDOPGGSA-N 0 0 481.666 4.831 20 0 JJADRN CCC1(CC)[C@H](NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)[C@@H](C)[C@H]1OC ZINC001447029128 1066767915 /nfs/dbraw/zinc/76/79/15/1066767915.db2.gz SSBBRIORQFXSSH-DGEVVOEJSA-N 0 0 458.599 4.825 20 0 JJADRN CCC1(CC)[C@H](NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)[C@H](C)[C@@H]1OC ZINC001447029142 1066767930 /nfs/dbraw/zinc/76/79/30/1066767930.db2.gz SSBBRIORQFXSSH-VHHKXPHXSA-N 0 0 458.599 4.825 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2C1 ZINC001447032024 1066768038 /nfs/dbraw/zinc/76/80/38/1066768038.db2.gz WUEFHVROHREXGT-UHFFFAOYSA-N 0 0 452.555 4.612 20 0 JJADRN C[C@@H]1[C@H](C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC001457127283 1066768167 /nfs/dbraw/zinc/76/81/67/1066768167.db2.gz DZARLZYEVXVROC-LXFAFOKJSA-N 0 0 455.526 4.624 20 0 JJADRN Cc1cscc1Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C ZINC001492656147 1066768328 /nfs/dbraw/zinc/76/83/28/1066768328.db2.gz YGCRTGPKNZFFHN-UHFFFAOYSA-N 0 0 452.628 4.784 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCCC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC001492656302 1066768544 /nfs/dbraw/zinc/76/85/44/1066768544.db2.gz DCIAFZXXFKNIBY-KRWDZBQOSA-N 0 0 487.695 4.853 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NC(=O)c2sccc2S(=O)(=O)C(F)F)cc1 ZINC001457129683 1066768720 /nfs/dbraw/zinc/76/87/20/1066768720.db2.gz RKQTWHGAOXRHHX-ZDUSSCGKSA-N 0 0 451.516 4.911 20 0 JJADRN CCCN(CCNC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC001447046909 1066769021 /nfs/dbraw/zinc/76/90/21/1066769021.db2.gz FOANGNQEMZLEDV-UHFFFAOYSA-N 0 0 454.596 4.978 20 0 JJADRN C[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)c1nc(-c2ccccc2)no1 ZINC001447047838 1066769197 /nfs/dbraw/zinc/76/91/97/1066769197.db2.gz BNHWLLHDKUTJPA-PXNSSMCTSA-N 0 0 456.587 4.820 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001457133110 1066769662 /nfs/dbraw/zinc/76/96/62/1066769662.db2.gz ZPRYCOLJUCUEEF-VQIMIIECSA-N 0 0 450.485 4.871 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3C)CC1 ZINC001457136602 1066770072 /nfs/dbraw/zinc/77/00/72/1066770072.db2.gz TXTWKOWODZUWRG-UHFFFAOYSA-N 0 0 457.315 4.680 20 0 JJADRN C[C@H](C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)n1ccc2ccccc2c1=O ZINC001457135501 1066770108 /nfs/dbraw/zinc/77/01/08/1066770108.db2.gz PMYYBFMIZOFVET-GFCCVEGCSA-N 0 0 455.889 4.538 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)c3cccc(COc4cccc(C=O)c4)c3)c2=O)cc1 ZINC001447065381 1066770177 /nfs/dbraw/zinc/77/01/77/1066770177.db2.gz BOPSLLCAUMUAAT-UHFFFAOYSA-N 0 0 452.510 4.849 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492657103 1066770381 /nfs/dbraw/zinc/77/03/81/1066770381.db2.gz RQKPUMZCKYNIEB-NRFANRHFSA-N 0 0 455.628 4.741 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CCC2)s1 ZINC001492657149 1066770459 /nfs/dbraw/zinc/77/04/59/1066770459.db2.gz NJTSFWGMFCNCRT-SFHVURJKSA-N 0 0 460.648 4.655 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)c2cccnc2c1C ZINC001457137351 1066770604 /nfs/dbraw/zinc/77/06/04/1066770604.db2.gz GWHRSTWICHZWBF-HXUWFJFHSA-N 0 0 452.352 4.857 20 0 JJADRN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001447066254 1066770800 /nfs/dbraw/zinc/77/08/00/1066770800.db2.gz FBJYVBOLORCNJY-GOSISDBHSA-N 0 0 450.391 4.541 20 0 JJADRN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001447066259 1066770865 /nfs/dbraw/zinc/77/08/65/1066770865.db2.gz FBJYVBOLORCNJY-SFHVURJKSA-N 0 0 450.391 4.541 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCc2nc(C(F)(F)F)cs2)CCO1 ZINC001546087091 1066771082 /nfs/dbraw/zinc/77/10/82/1066771082.db2.gz FYTQLUQDSSYMFN-LJQANCHMSA-N 0 0 455.506 4.570 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC2CCC2)s1 ZINC001492657704 1066771373 /nfs/dbraw/zinc/77/13/73/1066771373.db2.gz ZWORRQZHGPUDTK-FQEVSTJZSA-N 0 0 488.702 4.945 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001447077690 1066771377 /nfs/dbraw/zinc/77/13/77/1066771377.db2.gz ZHPKGHBFBYPGCT-GFCCVEGCSA-N 0 0 454.905 4.539 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CC3)nnc2N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492657695 1066771392 /nfs/dbraw/zinc/77/13/92/1066771392.db2.gz ZSBPIICTNUURLS-UHFFFAOYSA-N 0 0 474.675 4.555 20 0 JJADRN Cc1nc(C)c(CCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492657760 1066771451 /nfs/dbraw/zinc/77/14/51/1066771451.db2.gz ZLDSRJMOMQCHND-NRFANRHFSA-N 0 0 473.618 4.564 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001447074514 1066771464 /nfs/dbraw/zinc/77/14/64/1066771464.db2.gz OHONRKAAJGQGPL-SNVBAGLBSA-N 0 0 454.702 4.871 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)Oc1ccccc1F ZINC001545992335 1066771985 /nfs/dbraw/zinc/77/19/85/1066771985.db2.gz HSLGGRSVMVMPGP-TYPHKJRUSA-N 0 0 492.661 4.582 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1ccco1)NC(=O)OC(C)(C)C ZINC001545992420 1066772141 /nfs/dbraw/zinc/77/21/41/1066772141.db2.gz INPDLWSDGJMTPJ-HMFYCAOWSA-N 0 0 497.596 4.884 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](OC)C(F)(F)F)CCO1 ZINC001546087246 1066772495 /nfs/dbraw/zinc/77/24/95/1066772495.db2.gz IVIFFWMKKGGGBJ-APWZRJJASA-N 0 0 464.891 4.710 20 0 JJADRN O=C(Nc1cc(Cc2ccccc2)ccc1O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001447096886 1066772533 /nfs/dbraw/zinc/77/25/33/1066772533.db2.gz XYZQGCJAERAOOR-UHFFFAOYSA-N 0 0 456.399 4.974 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCSC2)CCO1 ZINC001546087243 1066772588 /nfs/dbraw/zinc/77/25/88/1066772588.db2.gz ITWYFZWRRXQBJB-QVKFZJNVSA-N 0 0 483.451 4.995 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCSC2)CCO1 ZINC001546087242 1066772650 /nfs/dbraw/zinc/77/26/50/1066772650.db2.gz ITWYFZWRRXQBJB-BTYIYWSLSA-N 0 0 483.451 4.995 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)CC2)n1 ZINC001457145476 1066772662 /nfs/dbraw/zinc/77/26/62/1066772662.db2.gz ASCJXHWXZQOJET-UHFFFAOYSA-N 0 0 459.546 4.874 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492658382 1066772630 /nfs/dbraw/zinc/77/26/30/1066772630.db2.gz QGYXSJPBLFJOPQ-VXGBXAGGSA-N 0 0 480.407 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001457146707 1066773129 /nfs/dbraw/zinc/77/31/29/1066773129.db2.gz YVCIOJDBDOYPQS-UHFFFAOYSA-N 0 0 452.542 4.662 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492658715 1066773499 /nfs/dbraw/zinc/77/34/99/1066773499.db2.gz IHRRTLGCSJVSGK-IYBDPMFKSA-N 0 0 470.668 4.599 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)s1 ZINC001492658686 1066773506 /nfs/dbraw/zinc/77/35/06/1066773506.db2.gz HHPUTZCZQKFOOY-HNNXBMFYSA-N 0 0 487.073 4.856 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3Br)nnc2N2CCC(F)(F)C2)s1 ZINC001492658670 1066773611 /nfs/dbraw/zinc/77/36/11/1066773611.db2.gz WHVHZIPOCQYAET-UHFFFAOYSA-N 0 0 454.344 4.675 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)s1 ZINC001492658627 1066773630 /nfs/dbraw/zinc/77/36/30/1066773630.db2.gz UUBFCEYZFMTPPV-QGZVFWFLSA-N 0 0 487.073 4.851 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492658779 1066773663 /nfs/dbraw/zinc/77/36/63/1066773663.db2.gz WOMNBQNHKMTKFZ-MRXNPFEDSA-N 0 0 474.675 4.751 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC[C@H]3c3ccc(I)cc3)co2)ccn1 ZINC001447105768 1066773730 /nfs/dbraw/zinc/77/37/30/1066773730.db2.gz GFFFIPCDAONAMW-SFHVURJKSA-N 0 0 459.287 4.627 20 0 JJADRN Cc1nc(NC2CC2)sc1C(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447103472 1066773757 /nfs/dbraw/zinc/77/37/57/1066773757.db2.gz DLOZHWYXBONUIN-HNNXBMFYSA-N 0 0 453.349 4.608 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001457152293 1066774085 /nfs/dbraw/zinc/77/40/85/1066774085.db2.gz FOZRNXOYVSZSFI-UHFFFAOYSA-N 0 0 451.567 4.517 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(OC)ccc2OC(F)F)CCO1 ZINC001546087643 1066774154 /nfs/dbraw/zinc/77/41/54/1066774154.db2.gz PZVTWCQPDMUIKU-QHCPKHFHSA-N 0 0 493.942 4.657 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nc(C)cs2)CCO1 ZINC001546087630 1066774171 /nfs/dbraw/zinc/77/41/71/1066774171.db2.gz PTGAUOKHOYBALP-FQEVSTJZSA-N 0 0 480.407 4.665 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001492658912 1066774261 /nfs/dbraw/zinc/77/42/61/1066774261.db2.gz LCSIHMKTNJTWEA-LBPRGKRZSA-N 0 0 480.407 4.584 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@H]2CCCOC2)s1 ZINC001492659093 1066774773 /nfs/dbraw/zinc/77/47/73/1066774773.db2.gz PVZQXVIRMYRFTO-MRXNPFEDSA-N 0 0 476.444 4.692 20 0 JJADRN CCc1ccc(N2CCN(C(=O)C[C@@H](NC(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC001457154074 1066774819 /nfs/dbraw/zinc/77/48/19/1066774819.db2.gz BMIXQBGWFUXRET-HHHXNRCGSA-N 0 0 455.602 4.767 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492659319 1066775099 /nfs/dbraw/zinc/77/50/99/1066775099.db2.gz XWSWFZUCRPYBNA-AWEZNQCLSA-N 0 0 496.862 4.955 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001546087740 1066775141 /nfs/dbraw/zinc/77/51/41/1066775141.db2.gz SCDLCISAGYNSCT-SPLOXXLWSA-N 0 0 451.384 4.898 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC(C)C)CCO1 ZINC001546087732 1066775189 /nfs/dbraw/zinc/77/51/89/1066775189.db2.gz SADCOQDKHPDKBM-HSZRJFAPSA-N 0 0 495.462 4.927 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)CCO1 ZINC001546087741 1066775258 /nfs/dbraw/zinc/77/52/58/1066775258.db2.gz SCDLCISAGYNSCT-SZNDQCEHSA-N 0 0 451.384 4.898 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC=C(Br)C2)s1 ZINC001492659281 1066775221 /nfs/dbraw/zinc/77/52/21/1066775221.db2.gz WIOWRPVVABFLPQ-UHFFFAOYSA-N 0 0 498.248 4.646 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001492659339 1066775788 /nfs/dbraw/zinc/77/57/88/1066775788.db2.gz YLQFIINIIOIFPN-UHYGZKCKSA-N 0 0 499.534 4.835 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)n1 ZINC001457157868 1066775650 /nfs/dbraw/zinc/77/56/50/1066775650.db2.gz VMRGPJXUKVDRNW-ZDUSSCGKSA-N 0 0 450.882 4.657 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1)NC(=O)OC(C)(C)C ZINC001545992775 1066776117 /nfs/dbraw/zinc/77/61/17/1066776117.db2.gz NCHXTLWAYQOIDH-LJQANCHMSA-N 0 0 489.661 4.824 20 0 JJADRN COC(=O)c1csc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1C ZINC001447120189 1066776174 /nfs/dbraw/zinc/77/61/74/1066776174.db2.gz AIFJRKUWXOECSR-QGZVFWFLSA-N 0 0 458.536 4.664 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOCC(C)C)CCO1 ZINC001546087914 1066776388 /nfs/dbraw/zinc/77/63/88/1066776388.db2.gz WDRLTELXEFUTKB-HSZRJFAPSA-N 0 0 495.462 4.784 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCSC)CCO1 ZINC001546087884 1066776406 /nfs/dbraw/zinc/77/64/06/1066776406.db2.gz VKXATYYVLYPVBQ-DEOSSOPVSA-N 0 0 456.612 4.876 20 0 JJADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC001457161514 1066776467 /nfs/dbraw/zinc/77/64/67/1066776467.db2.gz KJMPQQDRMFRJLS-SIKLNZKXSA-N 0 0 458.624 4.870 20 0 JJADRN Cc1nc(C)c(Cn2c(CC3CCCC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001492659514 1066776493 /nfs/dbraw/zinc/77/64/93/1066776493.db2.gz DAHVYNOCKAVGGX-UZLBHIALSA-N 0 0 488.702 4.872 20 0 JJADRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001447124607 1066776828 /nfs/dbraw/zinc/77/68/28/1066776828.db2.gz DZWANMATQAVSBD-QGZVFWFLSA-N 0 0 452.429 4.903 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492659949 1066776750 /nfs/dbraw/zinc/77/67/50/1066776750.db2.gz FIZGUWNKVLKFFT-ZIAGYGMSSA-N 0 0 464.060 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC001447129212 1066776912 /nfs/dbraw/zinc/77/69/12/1066776912.db2.gz JRHGURZKRZQIIN-AWEZNQCLSA-N 0 0 451.283 4.501 20 0 JJADRN O=C(c1csc(I)n1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001457161937 1066777017 /nfs/dbraw/zinc/77/70/17/1066777017.db2.gz YCKKIKYQZLURCN-UHFFFAOYSA-N 0 0 450.276 4.757 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001492660015 1066777359 /nfs/dbraw/zinc/77/73/59/1066777359.db2.gz NUFMNLBKVDTHGR-UHFFFAOYSA-N 0 0 470.549 4.623 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CCCNC(=O)c2ccccc2)cc1 ZINC001457165197 1066777549 /nfs/dbraw/zinc/77/75/49/1066777549.db2.gz ASUVRIMZAGKNQZ-UHFFFAOYSA-N 0 0 450.922 4.732 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC[C@@H](C)C2)s1 ZINC001492660603 1066778062 /nfs/dbraw/zinc/77/80/62/1066778062.db2.gz QWNUJUZKUBWCCF-CQSZACIVSA-N 0 0 476.444 4.978 20 0 JJADRN CSc1ccc(N2C[C@H](C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CC2=O)cc1 ZINC001457165767 1066778121 /nfs/dbraw/zinc/77/81/21/1066778121.db2.gz CRUVJXDOLHXOCM-MRXNPFEDSA-N 0 0 456.564 4.738 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492660519 1066778229 /nfs/dbraw/zinc/77/82/29/1066778229.db2.gz PQPHGBMIOAFXPU-CALCHBBNSA-N 0 0 469.655 4.890 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492660740 1066778539 /nfs/dbraw/zinc/77/85/39/1066778539.db2.gz TWTNBQYWNBYMTL-IBGZPJMESA-N 0 0 469.655 4.749 20 0 JJADRN O=C(NCCO)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 ZINC001447150337 1066778531 /nfs/dbraw/zinc/77/85/31/1066778531.db2.gz CDUIZJXBQMQJJJ-UHFFFAOYSA-N 0 0 459.329 4.547 20 0 JJADRN CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001545993210 1066778675 /nfs/dbraw/zinc/77/86/75/1066778675.db2.gz TVLAPQSDHHFGFV-VWNVYAMZSA-N 0 0 485.629 4.719 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001492660726 1066778569 /nfs/dbraw/zinc/77/85/69/1066778569.db2.gz STQZCSTXIHLPEU-QWFCFKBJSA-N 0 0 463.717 4.896 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N2CC=C(C(F)(F)F)CC2)s1 ZINC001492660686 1066778663 /nfs/dbraw/zinc/77/86/63/1066778663.db2.gz SCMDIDNOBCUMOO-UHFFFAOYSA-N 0 0 467.492 4.817 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 ZINC001492660829 1066779026 /nfs/dbraw/zinc/77/90/26/1066779026.db2.gz WIXGZOOLJMLDPC-UHFFFAOYSA-N 0 0 481.601 4.668 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)cs1 ZINC001492661029 1066779356 /nfs/dbraw/zinc/77/93/56/1066779356.db2.gz BRUQYDMDIHCBOC-KRWDZBQOSA-N 0 0 484.645 4.619 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)C1(Cc2ccc(O)cc2)CC1 ZINC001447163422 1066779259 /nfs/dbraw/zinc/77/92/59/1066779259.db2.gz ANDHKZIEORZCQH-UHFFFAOYSA-N 0 0 458.274 4.691 20 0 JJADRN COc1cc(Br)cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001447165324 1066779750 /nfs/dbraw/zinc/77/97/50/1066779750.db2.gz LGUYIOQKIGKEKO-AWEZNQCLSA-N 0 0 458.139 4.756 20 0 JJADRN COc1cc(Br)cc(NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)c1 ZINC001447164392 1066779766 /nfs/dbraw/zinc/77/97/66/1066779766.db2.gz HWDCYXZOEQNGJT-UHFFFAOYSA-N 0 0 454.118 4.962 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1C(F)F ZINC001447166991 1066779784 /nfs/dbraw/zinc/77/97/84/1066779784.db2.gz HSGCSZOQLZXNJS-QFIPXVFZSA-N 0 0 456.537 4.952 20 0 JJADRN CC(C)Cn1ncc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1C(F)F ZINC001447166989 1066779818 /nfs/dbraw/zinc/77/98/18/1066779818.db2.gz HSGCSZOQLZXNJS-JOCHJYFZSA-N 0 0 456.537 4.952 20 0 JJADRN CCCc1c(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001447167915 1066779875 /nfs/dbraw/zinc/77/98/75/1066779875.db2.gz FWVHZSRTWKSAEQ-OAQYLSRUSA-N 0 0 458.965 4.773 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnc(C)s2)CCO1 ZINC001546088045 1066780147 /nfs/dbraw/zinc/78/01/47/1066780147.db2.gz YRRUWLZREUXISY-OAQYLSRUSA-N 0 0 492.443 4.535 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2CCc2c(C)noc2C)cs1 ZINC001492661163 1066780247 /nfs/dbraw/zinc/78/02/47/1066780247.db2.gz FALAXNFIJOYRJJ-QGZVFWFLSA-N 0 0 450.612 4.987 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccco3)n2Cc2cccnc2OCC(F)F)cs1 ZINC001492661067 1066780338 /nfs/dbraw/zinc/78/03/38/1066780338.db2.gz CHQKDTBZMFIKSY-CQSZACIVSA-N 0 0 474.537 4.511 20 0 JJADRN C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2cccc(F)c2)no1 ZINC001457177119 1066780768 /nfs/dbraw/zinc/78/07/68/1066780768.db2.gz WFGBVQSUPPQNPE-ZDUSSCGKSA-N 0 0 455.877 4.779 20 0 JJADRN Cc1cc(Br)c(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)s1 ZINC001457179034 1066781334 /nfs/dbraw/zinc/78/13/34/1066781334.db2.gz NVJWKTJYKZNUHY-UHFFFAOYSA-N 0 0 454.342 4.536 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2CC2(O)CCCCC2)cs1 ZINC001492661805 1066781395 /nfs/dbraw/zinc/78/13/95/1066781395.db2.gz MZIGGIKZGNTYDG-OAHLLOKOSA-N 0 0 461.582 4.805 20 0 JJADRN COc1cc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2C)cc(OC)c1Br ZINC001457182907 1066781720 /nfs/dbraw/zinc/78/17/20/1066781720.db2.gz FNRWBGSXKDOIKS-SNVBAGLBSA-N 0 0 453.720 4.924 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC001447195468 1066781847 /nfs/dbraw/zinc/78/18/47/1066781847.db2.gz HUSZXFBJNUERFJ-UHFFFAOYSA-N 0 0 452.967 4.794 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cccc(Cn3cncn3)c2)c2ccc(F)c(F)c2)c1 ZINC001457187072 1066782227 /nfs/dbraw/zinc/78/22/27/1066782227.db2.gz AJHRNITYNQGGBU-HSZRJFAPSA-N 0 0 450.514 4.846 20 0 JJADRN C[C@H](CC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)NC(=O)C1CCCC1 ZINC001447201887 1066782405 /nfs/dbraw/zinc/78/24/05/1066782405.db2.gz QLIPWQOUOBBOPW-CQSZACIVSA-N 0 0 454.518 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CCC(=O)Nc2ccccc2)cs1 ZINC001492662675 1066782768 /nfs/dbraw/zinc/78/27/68/1066782768.db2.gz WVWCNYGIKCWZBN-INIZCTEOSA-N 0 0 466.636 4.922 20 0 JJADRN O=C(CSc1nnnn1C1CCCC1)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001457188853 1066782992 /nfs/dbraw/zinc/78/29/92/1066782992.db2.gz OXHXRAYNGSBMCG-CQSZACIVSA-N 0 0 454.396 4.746 20 0 JJADRN CN(C)[C@@H](C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1c(F)cccc1Cl ZINC001457190670 1066783347 /nfs/dbraw/zinc/78/33/47/1066783347.db2.gz ALVSFUBDFOIJHR-OXJNMPFZSA-N 0 0 456.002 4.625 20 0 JJADRN CSc1cccc([C@@H](NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)c2ccc(F)c(F)c2)c1 ZINC001457191301 1066783373 /nfs/dbraw/zinc/78/33/73/1066783373.db2.gz FFPSPUGAPTXRSO-NZQKXSOJSA-N 0 0 452.526 4.762 20 0 JJADRN CCc1noc(C)c1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)s1 ZINC001546568900 1066783459 /nfs/dbraw/zinc/78/34/59/1066783459.db2.gz CVEDHLUXJWGROB-UHFFFAOYSA-N 0 0 450.406 4.598 20 0 JJADRN C[C@H](NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1OC(F)F ZINC001447232844 1066783791 /nfs/dbraw/zinc/78/37/91/1066783791.db2.gz QOHSSLBXINGIIJ-ZDUSSCGKSA-N 0 0 453.869 4.943 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccn(C2CCOCC2)n1 ZINC001457192063 1066783893 /nfs/dbraw/zinc/78/38/93/1066783893.db2.gz OTSLXAISBAHJBF-OAHLLOKOSA-N 0 0 451.214 4.597 20 0 JJADRN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC001447230993 1066783890 /nfs/dbraw/zinc/78/38/90/1066783890.db2.gz HRBPZTKRADPESK-NRFANRHFSA-N 0 0 454.567 4.647 20 0 JJADRN O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ncc(Br)cn1 ZINC001457193828 1066784419 /nfs/dbraw/zinc/78/44/19/1066784419.db2.gz SRCNFTVHRYZCDE-JTQLQIEISA-N 0 0 458.003 4.601 20 0 JJADRN COc1ccc(NC(=O)C2(NC(=O)c3cccc(OC4CCCC4)c3)CCCC2)cc1OC ZINC001457194637 1066784471 /nfs/dbraw/zinc/78/44/71/1066784471.db2.gz BEIQDLOCTWKZAK-UHFFFAOYSA-N 0 0 452.551 4.707 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492664603 1066784445 /nfs/dbraw/zinc/78/44/45/1066784445.db2.gz MWIUJYNRGNLFJW-AEFFLSMTSA-N 0 0 481.592 4.914 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001492664238 1066784483 /nfs/dbraw/zinc/78/44/83/1066784483.db2.gz GOIVONPNIDNKGS-OALUTQOASA-N 0 0 496.681 4.529 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2CCC(C)C)ccc1C ZINC001457194841 1066784545 /nfs/dbraw/zinc/78/45/45/1066784545.db2.gz BYIWLBHGMWVGMK-UHFFFAOYSA-N 0 0 456.612 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccccc2-n2ccc(C3CC3)n2)CC1 ZINC001457194168 1066784569 /nfs/dbraw/zinc/78/45/69/1066784569.db2.gz KLXYJBJVDRSSAD-IBGZPJMESA-N 0 0 452.599 4.907 20 0 JJADRN O=C(Nc1c(F)cccc1Br)c1cc(Br)nc(Br)c1 ZINC001457196241 1066784895 /nfs/dbraw/zinc/78/48/95/1066784895.db2.gz GDVWSBSXCLTDCL-UHFFFAOYSA-N 0 0 452.903 4.761 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)c1 ZINC001447262815 1066785542 /nfs/dbraw/zinc/78/55/42/1066785542.db2.gz QWNBTICALOXUJW-GCJKJVERSA-N 0 0 454.357 4.956 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@]2(C)CCCS2)cs1 ZINC001492665051 1066785599 /nfs/dbraw/zinc/78/55/99/1066785599.db2.gz VILBHNCRARSXOM-DEOSSOPVSA-N 0 0 484.695 4.611 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H](C)Oc2cccc(F)c2)cs1 ZINC001492665025 1066785705 /nfs/dbraw/zinc/78/57/05/1066785705.db2.gz UWCBDQDXGRNBQO-CVEARBPZSA-N 0 0 486.642 4.937 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1nc(-c2ccco2)c(C)s1 ZINC001545993983 1066786294 /nfs/dbraw/zinc/78/62/94/1066786294.db2.gz KCRPPQQSIRVIPU-UTKZUKDTSA-N 0 0 452.624 4.717 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C(F)(F)F)n2C[C@@]2(O)CCC[C@H]2C)cs1 ZINC001492665246 1066786306 /nfs/dbraw/zinc/78/63/06/1066786306.db2.gz BHOFSUVBLHPHOB-QRQCRPRQSA-N 0 0 479.572 4.840 20 0 JJADRN CCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)sc1-c1ccccc1 ZINC001447264207 1066786352 /nfs/dbraw/zinc/78/63/52/1066786352.db2.gz OPYOBUUSNGINFT-UHFFFAOYSA-N 0 0 456.589 4.720 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl)c1ccccc1 ZINC001447266538 1066786372 /nfs/dbraw/zinc/78/63/72/1066786372.db2.gz VQTJCFRTWKAHTK-OAQYLSRUSA-N 0 0 452.942 4.915 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001457197359 1066786317 /nfs/dbraw/zinc/78/63/17/1066786317.db2.gz FOPLMMFDYYQVRC-SANMLTNESA-N 0 0 458.599 4.830 20 0 JJADRN O=C(O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001457196898 1066786339 /nfs/dbraw/zinc/78/63/39/1066786339.db2.gz ZYVCSOIWGSTLCV-CQSZACIVSA-N 0 0 450.726 4.795 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC001447277332 1066786958 /nfs/dbraw/zinc/78/69/58/1066786958.db2.gz LQEHQRUEMFKLIE-INIZCTEOSA-N 0 0 451.380 4.988 20 0 JJADRN C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)NCC1(C)CCC1 ZINC001457200622 1066787147 /nfs/dbraw/zinc/78/71/47/1066787147.db2.gz QCNQMRZZGUDDTD-NSHDSACASA-N 0 0 458.727 4.567 20 0 JJADRN COc1ccc(/C=C(/C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c2cccs2)cc1 ZINC001457200807 1066787357 /nfs/dbraw/zinc/78/73/57/1066787357.db2.gz RBDUXFKVBOKJJI-JCZXDDDQSA-N 0 0 452.963 4.872 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC001457201447 1066787379 /nfs/dbraw/zinc/78/73/79/1066787379.db2.gz PALIPHCTMQIHGD-XMMPIXPASA-N 0 0 459.612 4.517 20 0 JJADRN Cc1csc(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1I ZINC001457202296 1066787737 /nfs/dbraw/zinc/78/77/37/1066787737.db2.gz SAWFNQNNXXKVMS-OAHLLOKOSA-N 0 0 454.377 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2C[C@@H](C)Cc2cccs2)cs1 ZINC001492665765 1066787709 /nfs/dbraw/zinc/78/77/09/1066787709.db2.gz AAFDRJNOHBHGGL-AWEZNQCLSA-N 0 0 458.682 4.975 20 0 JJADRN O=C(Nc1ccc(O)cc1F)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001546088611 1066788152 /nfs/dbraw/zinc/78/81/52/1066788152.db2.gz VWGBRMQTANGSBP-UHFFFAOYSA-N 0 0 455.294 4.891 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCC3(C)CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001457203277 1066788180 /nfs/dbraw/zinc/78/81/80/1066788180.db2.gz ZYAFKYGYDZYLGB-SQJMNOBHSA-N 0 0 450.579 4.803 20 0 JJADRN O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccccc2SCc2cscn2)CC1 ZINC001447289720 1066788163 /nfs/dbraw/zinc/78/81/63/1066788163.db2.gz CMZMWLGDKVVXSG-UHFFFAOYSA-N 0 0 453.589 4.632 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492665903 1066788170 /nfs/dbraw/zinc/78/81/70/1066788170.db2.gz CDBTWVPDFBNLAE-UHFFFAOYSA-N 0 0 483.667 4.656 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC001545994178 1066788646 /nfs/dbraw/zinc/78/86/46/1066788646.db2.gz QRHHPKDXPJONHB-KRWDZBQOSA-N 0 0 455.393 4.596 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCc2sc(C)nc2C)cs1 ZINC001492666033 1066788914 /nfs/dbraw/zinc/78/89/14/1066788914.db2.gz DZJIPUHTDPOSQM-UHFFFAOYSA-N 0 0 456.616 4.725 20 0 JJADRN CSc1cccc([C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c2ccc(F)c(F)c2)c1 ZINC001457204415 1066788903 /nfs/dbraw/zinc/78/89/03/1066788903.db2.gz OOSXASFLTKKGPS-QHCPKHFHSA-N 0 0 454.498 4.561 20 0 JJADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001447300804 1066789235 /nfs/dbraw/zinc/78/92/35/1066789235.db2.gz HLOLESKZJJWRMD-RTHCMUBDSA-N 0 0 459.571 4.776 20 0 JJADRN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)c(C)n1Cc1ccccn1 ZINC001447303031 1066789411 /nfs/dbraw/zinc/78/94/11/1066789411.db2.gz KXGOCVJRRQXZFF-UHFFFAOYSA-N 0 0 453.546 4.512 20 0 JJADRN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001457205329 1066789444 /nfs/dbraw/zinc/78/94/44/1066789444.db2.gz SZVHWJAJSZGQBY-OAHLLOKOSA-N 0 0 450.295 4.658 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492666082 1066789412 /nfs/dbraw/zinc/78/94/12/1066789412.db2.gz ZQUQYGIDOZHLOC-INIZCTEOSA-N 0 0 488.633 4.570 20 0 JJADRN COCc1c(C(=O)Nc2ccc(I)c(C)n2)sc2cccc(F)c21 ZINC001457206642 1066789874 /nfs/dbraw/zinc/78/98/74/1066789874.db2.gz ZLIWMEJVPKHFEY-UHFFFAOYSA-N 0 0 456.280 4.747 20 0 JJADRN C[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)[C@H]1CNC(=O)OC(C)(C)C ZINC001457207510 1066789907 /nfs/dbraw/zinc/78/99/07/1066789907.db2.gz JGVFELZYJNPWMK-GUYCJALGSA-N 0 0 459.812 4.797 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001457208480 1066790297 /nfs/dbraw/zinc/79/02/97/1066790297.db2.gz PFUSHSITOGERLX-RDTXWAMCSA-N 0 0 453.967 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@](C)(O)CCC(C)C)cs1 ZINC001492666193 1066790365 /nfs/dbraw/zinc/79/03/65/1066790365.db2.gz KRMUIMMGOKMRCO-NRFANRHFSA-N 0 0 496.475 4.813 20 0 JJADRN COc1ccccc1COc1cccc(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)c1C ZINC001447310950 1066790359 /nfs/dbraw/zinc/79/03/59/1066790359.db2.gz WIZNNTIBFHUDQZ-MUUNZHRXSA-N 0 0 458.558 4.612 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2Cc2ccc(OC(C)(C)C)nc2)cs1 ZINC001492666183 1066790387 /nfs/dbraw/zinc/79/03/87/1066790387.db2.gz KJUAMGXRRKMUJM-UHFFFAOYSA-N 0 0 498.056 4.939 20 0 JJADRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC001447311168 1066790482 /nfs/dbraw/zinc/79/04/82/1066790482.db2.gz RPSWBOXPHOSVAM-WMZOPIPTSA-N 0 0 456.384 4.874 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)c2=O)n1 ZINC001457208813 1066790691 /nfs/dbraw/zinc/79/06/91/1066790691.db2.gz NLDNASFKWKKKHD-IBGZPJMESA-N 0 0 456.546 4.580 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ccc(CN3CCOCC3)o2)c2ccc(F)c(F)c2)c1 ZINC001457208844 1066790783 /nfs/dbraw/zinc/79/07/83/1066790783.db2.gz UVJHPJFWJMEUEH-HSZRJFAPSA-N 0 0 458.530 4.631 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001492666272 1066790884 /nfs/dbraw/zinc/79/08/84/1066790884.db2.gz NRGZPJVMMPYLIK-GJZGRUSLSA-N 0 0 461.035 4.522 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC2(C)CCC2)cs1 ZINC001492666257 1066790940 /nfs/dbraw/zinc/79/09/40/1066790940.db2.gz MXRABRNNAISXMS-UHFFFAOYSA-N 0 0 450.406 4.816 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CCOC(C)(C)C)cs1 ZINC001492666351 1066790957 /nfs/dbraw/zinc/79/09/57/1066790957.db2.gz QNCHWRCMTNYHNH-UHFFFAOYSA-N 0 0 465.570 4.687 20 0 JJADRN COc1cccc(Cn2cccc(NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c2=O)n1 ZINC001457210353 1066791165 /nfs/dbraw/zinc/79/11/65/1066791165.db2.gz SRWWRMVDCCCXRO-KRWDZBQOSA-N 0 0 451.592 4.765 20 0 JJADRN O=C(c1nccnc1-c1nc2ccccc2s1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001447319641 1066791556 /nfs/dbraw/zinc/79/15/56/1066791556.db2.gz KLYMZQVENJVUSX-UHFFFAOYSA-N 0 0 459.358 4.695 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)s2)c2ccc(F)c(F)c2)c1 ZINC001457211415 1066791659 /nfs/dbraw/zinc/79/16/59/1066791659.db2.gz YBSBXMIBQDNSGD-LJQANCHMSA-N 0 0 453.557 4.671 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccccc1Br ZINC001457213134 1066792180 /nfs/dbraw/zinc/79/21/80/1066792180.db2.gz DEFDWEKSEFCVOK-HXUWFJFHSA-N 0 0 455.308 4.667 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H]2CCOC[C@@H]2C)cs1 ZINC001492666575 1066792509 /nfs/dbraw/zinc/79/25/09/1066792509.db2.gz ZCERGUIDXYTHJG-DZGCQCFKSA-N 0 0 452.049 4.658 20 0 JJADRN CCON1CCC(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 ZINC001447322901 1066792502 /nfs/dbraw/zinc/79/25/02/1066792502.db2.gz TZSILISWMZBVSX-QHCPKHFHSA-N 0 0 455.599 4.575 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457217743 1066792519 /nfs/dbraw/zinc/79/25/19/1066792519.db2.gz NLEXGJVXIQBPLQ-UYAOXDASSA-N 0 0 453.539 4.600 20 0 JJADRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc3c(ccc(Br)c3C)[nH]2)n1C ZINC001457216800 1066792567 /nfs/dbraw/zinc/79/25/67/1066792567.db2.gz NXBNSYJBBNVVPE-IBGZPJMESA-N 0 0 458.356 4.731 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccoc3)n2C[C@H](C)Oc2ccc(Cl)cc2)cs1 ZINC001492667068 1066793042 /nfs/dbraw/zinc/79/30/42/1066793042.db2.gz SAYPVCRZHVGLGL-HNNXBMFYSA-N 0 0 457.987 4.984 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492667407 1066793550 /nfs/dbraw/zinc/79/35/50/1066793550.db2.gz DWJDRGKNCIZJHU-FQEVSTJZSA-N 0 0 495.571 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3csc(Br)c3)n2C[C@]2(C)CCCO2)cs1 ZINC001492667222 1066793624 /nfs/dbraw/zinc/79/36/24/1066793624.db2.gz YPBYRWLROSZOLV-IBGZPJMESA-N 0 0 482.473 4.663 20 0 JJADRN CCOC(=O)c1ccc(CNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)o1 ZINC001457221150 1066793445 /nfs/dbraw/zinc/79/34/45/1066793445.db2.gz HGVBYDJUUCELEG-UHFFFAOYSA-N 0 0 451.866 4.757 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC001457221883 1066793625 /nfs/dbraw/zinc/79/36/25/1066793625.db2.gz PVTPXPFMPGYAPN-CQSZACIVSA-N 0 0 455.308 4.746 20 0 JJADRN CC[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329297 1066793611 /nfs/dbraw/zinc/79/36/11/1066793611.db2.gz GFBBACNIIZWMBC-GUYCJALGSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CC=CCC3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492667410 1066793650 /nfs/dbraw/zinc/79/36/50/1066793650.db2.gz DXYSCZDRFPPCEZ-KRWDZBQOSA-N 0 0 459.566 4.784 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329289 1066793679 /nfs/dbraw/zinc/79/36/79/1066793679.db2.gz GFBBACNIIZWMBC-CXAGYDPISA-N 0 0 459.812 4.797 20 0 JJADRN Cc1ccsc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001492666601 1066793878 /nfs/dbraw/zinc/79/38/78/1066793878.db2.gz ADPJVBHEARMWRC-UHFFFAOYSA-N 0 0 453.641 4.602 20 0 JJADRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001447332410 1066794377 /nfs/dbraw/zinc/79/43/77/1066794377.db2.gz BNGJEIDWQBBBFA-UHFFFAOYSA-N 0 0 451.242 4.957 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CC(C)(C)c2ccccc2F)cs1 ZINC001492666787 1066794429 /nfs/dbraw/zinc/79/44/29/1066794429.db2.gz HUOIJUQHXVPRTJ-UHFFFAOYSA-N 0 0 456.616 4.844 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447330664 1066794496 /nfs/dbraw/zinc/79/44/96/1066794496.db2.gz IZJADUWWCUMLAP-MUFBNLQYSA-N 0 0 479.662 4.708 20 0 JJADRN O=C(OCc1cccc(OC(F)(F)F)c1)c1cc(Br)cnc1Br ZINC001457226014 1066794519 /nfs/dbraw/zinc/79/45/19/1066794519.db2.gz QBXWWUOOHDPXQA-UHFFFAOYSA-N 0 0 455.024 4.862 20 0 JJADRN C[C@@H](CC(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1)NC(=O)c1ccccc1 ZINC001447331315 1066794673 /nfs/dbraw/zinc/79/46/73/1066794673.db2.gz UPVBMPQYOGCRNM-IBGZPJMESA-N 0 0 452.599 4.677 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](F)c2ccc(Br)cc2)cs1 ZINC001492668097 1066795517 /nfs/dbraw/zinc/79/55/17/1066795517.db2.gz YNHGNZFZWXEQOJ-DNVCBOLYSA-N 0 0 494.434 4.580 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447337244 1066795803 /nfs/dbraw/zinc/79/58/03/1066795803.db2.gz ZFGKXDRNOPODEL-QFBILLFUSA-N 0 0 456.587 4.800 20 0 JJADRN O=C(CSc1nc(-c2ccccc2)no1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001447336697 1066796034 /nfs/dbraw/zinc/79/60/34/1066796034.db2.gz VCFVSSJJNCPEGH-HXUWFJFHSA-N 0 0 450.951 4.977 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447337240 1066796055 /nfs/dbraw/zinc/79/60/55/1066796055.db2.gz ZFGKXDRNOPODEL-APWZRJJASA-N 0 0 456.587 4.800 20 0 JJADRN O=C(CNC(=O)NCc1ccc(F)cc1)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001447338853 1066796313 /nfs/dbraw/zinc/79/63/13/1066796313.db2.gz LZIYKLCSMOTZIB-UHFFFAOYSA-N 0 0 452.357 4.560 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)Oc1ccccc1F ZINC001545994804 1066797067 /nfs/dbraw/zinc/79/70/67/1066797067.db2.gz GQBIZVFZCAODCD-FQEVSTJZSA-N 0 0 489.636 4.778 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3)n2C[C@H]2CCC(F)(F)C2)cs1 ZINC001492669070 1066797281 /nfs/dbraw/zinc/79/72/81/1066797281.db2.gz IBCUCBTZBAUECO-SFHVURJKSA-N 0 0 461.582 4.975 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CCCCn2cc(Br)cn2)CCO1 ZINC001546089158 1066798291 /nfs/dbraw/zinc/79/82/91/1066798291.db2.gz IZTZOHGTVBRCMW-QHCPKHFHSA-N 0 0 487.446 4.698 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)c1 ZINC001447362843 1066798572 /nfs/dbraw/zinc/79/85/72/1066798572.db2.gz XWSAYQIVKHHLNU-KRWDZBQOSA-N 0 0 451.544 4.931 20 0 JJADRN Cc1nc(Cc2nnc(N(CCCCO)C3CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492669645 1066798798 /nfs/dbraw/zinc/79/87/98/1066798798.db2.gz FPODQZPAHNPYDY-MAUKXSAKSA-N 0 0 457.566 4.669 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2ccc(OC(C)C)cc2)cs1 ZINC001492669988 1066799032 /nfs/dbraw/zinc/79/90/32/1066799032.db2.gz CQKATJCBUMDRBJ-FOIQADDNSA-N 0 0 495.571 4.625 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492669908 1066799045 /nfs/dbraw/zinc/79/90/45/1066799045.db2.gz KXLWNGNPAIWQAZ-UZLBHIALSA-N 0 0 490.674 4.590 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1)Oc1cccc(F)c1 ZINC001545994968 1066799114 /nfs/dbraw/zinc/79/91/14/1066799114.db2.gz JZABCOMAOGDFOM-NRFANRHFSA-N 0 0 473.637 4.558 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492670085 1066799171 /nfs/dbraw/zinc/79/91/71/1066799171.db2.gz NEVBAGGMZLLKPB-GOSISDBHSA-N 0 0 490.674 4.591 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C)C3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492669957 1066799220 /nfs/dbraw/zinc/79/92/20/1066799220.db2.gz BSNOTAVSUFPADM-ZIAGYGMSSA-N 0 0 451.518 4.673 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(CC)(CC)c1ccc(OC)c(OC)c1 ZINC001447363761 1066799196 /nfs/dbraw/zinc/79/91/96/1066799196.db2.gz XBECFDKCCZSXJG-ACCFAQQVSA-N 0 0 474.642 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492670130 1066799536 /nfs/dbraw/zinc/79/95/36/1066799536.db2.gz OPOPAABVGBCQOW-AZUAARDMSA-N 0 0 479.572 4.926 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492670109 1066799610 /nfs/dbraw/zinc/79/96/10/1066799610.db2.gz NYPCCPSUGFLDSP-UHFFFAOYSA-N 0 0 481.544 4.934 20 0 JJADRN Cc1nc(Cc2nnc(N(C)OC3CCCC3)n2CCc2ccc(F)c(F)c2F)cs1 ZINC001492670254 1066799706 /nfs/dbraw/zinc/79/97/06/1066799706.db2.gz PNPHJXZPHLPEJL-UHFFFAOYSA-N 0 0 451.518 4.604 20 0 JJADRN COc1cccc(C(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c2cccc(OC)c2)c1 ZINC001457269061 1066800038 /nfs/dbraw/zinc/80/00/38/1066800038.db2.gz PPLYQNUXEHPDOW-UHFFFAOYSA-N 0 0 450.560 4.942 20 0 JJADRN C[C@](O)(CNC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1Cl ZINC001447368791 1066800364 /nfs/dbraw/zinc/80/03/64/1066800364.db2.gz SDOIILGSDTUHHH-QHCPKHFHSA-N 0 0 453.951 4.806 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)C1 ZINC001447374733 1066801241 /nfs/dbraw/zinc/80/12/41/1066801241.db2.gz BYTYMXWGFNCHKS-FCHUYYIVSA-N 0 0 454.659 4.812 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2Cc2cccnc2OCC(F)(F)F)cs1 ZINC001492670962 1066801341 /nfs/dbraw/zinc/80/13/41/1066801341.db2.gz NTYHSPZTNLSOPP-CABCVRRESA-N 0 0 480.560 4.643 20 0 JJADRN Cn1nnc2cc(C(=O)Nc3cc(Br)ccc3Oc3ccc(Cl)cc3)cnc21 ZINC001457270763 1066801519 /nfs/dbraw/zinc/80/15/19/1066801519.db2.gz WPJLRUFUVPUSFJ-UHFFFAOYSA-N 0 0 458.703 4.824 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001492671465 1066801901 /nfs/dbraw/zinc/80/19/01/1066801901.db2.gz XIGIHJNJDAPGIF-LXZKKBNFSA-N 0 0 457.566 4.931 20 0 JJADRN CC(C)O[C@H]1C[C@@H](NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1(C)C ZINC001447380939 1066802150 /nfs/dbraw/zinc/80/21/50/1066802150.db2.gz YPITUJAQUJHNJO-PKTZIBPZSA-N 0 0 452.620 4.690 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001457276046 1066802147 /nfs/dbraw/zinc/80/21/47/1066802147.db2.gz BQOOSUOXKAXGGG-VHSXEESVSA-N 0 0 456.123 4.829 20 0 JJADRN CN(C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001457277833 1066802633 /nfs/dbraw/zinc/80/26/33/1066802633.db2.gz OJPIQWBCBFXNES-CLAROIROSA-N 0 0 456.583 4.983 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)CC(=O)C(C)(C)C)cc2)c(C)c1C ZINC001457280201 1066802659 /nfs/dbraw/zinc/80/26/59/1066802659.db2.gz JDTQXYNZIJVIAK-UHFFFAOYSA-N 0 0 458.624 4.717 20 0 JJADRN O=C(c1csc(COc2ccc(F)cc2)n1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457279540 1066802785 /nfs/dbraw/zinc/80/27/85/1066802785.db2.gz SUBVFGFTCICIJJ-UHFFFAOYSA-N 0 0 451.445 4.890 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC001492671477 1066802611 /nfs/dbraw/zinc/80/26/11/1066802611.db2.gz XMWBZCRTZIATTR-HDICACEKSA-N 0 0 486.686 4.683 20 0 JJADRN C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001457281038 1066803090 /nfs/dbraw/zinc/80/30/90/1066803090.db2.gz AHOBTSNBUKQZAD-MHECFPHRSA-N 0 0 450.579 4.577 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001457281793 1066803261 /nfs/dbraw/zinc/80/32/61/1066803261.db2.gz YFOUQUBMPMTAGL-NEPJUHHUSA-N 0 0 456.123 4.829 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2CCOCCC(C)C)cs1 ZINC001492671787 1066803228 /nfs/dbraw/zinc/80/32/28/1066803228.db2.gz FNIRAJDOOOTIEG-DYESRHJHSA-N 0 0 475.684 4.724 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC001447396671 1066803431 /nfs/dbraw/zinc/80/34/31/1066803431.db2.gz AYDICUVVWVKDLH-QFIPXVFZSA-N 0 0 456.970 4.847 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=C(C(F)(F)F)CC3)n2CCOc2ccccc2C)cs1 ZINC001492671917 1066803842 /nfs/dbraw/zinc/80/38/42/1066803842.db2.gz IVHONDHHCWAUDW-UHFFFAOYSA-N 0 0 463.529 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N2CCc3c(F)ccc(F)c3C2)C1 ZINC001457284460 1066803879 /nfs/dbraw/zinc/80/38/79/1066803879.db2.gz DQRBRGHTSHXZBK-UYAOXDASSA-N 0 0 456.533 4.575 20 0 JJADRN COc1nsc(C(=O)N2CCCc3cc(N4CCCC[C@@H]4C)ccc32)c1Br ZINC001447398671 1066803960 /nfs/dbraw/zinc/80/39/60/1066803960.db2.gz KGZLZXCMVHCHIB-ZDUSSCGKSA-N 0 0 450.402 4.886 20 0 JJADRN CCOc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)ccc1OCc1cccnc1 ZINC001447404069 1066804592 /nfs/dbraw/zinc/80/45/92/1066804592.db2.gz MWTVVMDAAMRKKR-DEOSSOPVSA-N 0 0 452.938 4.926 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)CNc1cccc(C(F)(F)F)c1 ZINC001447407169 1066805071 /nfs/dbraw/zinc/80/50/71/1066805071.db2.gz XBUQVZUDFHBXLL-UHFFFAOYSA-N 0 0 451.489 4.671 20 0 JJADRN CC(C)(C)OC(=O)N(CCC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)CC1CC1 ZINC001447406629 1066805131 /nfs/dbraw/zinc/80/51/31/1066805131.db2.gz WVXIXERXSXAYCH-UHFFFAOYSA-N 0 0 456.414 4.679 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)NC[C@](C)(O)c2cccc(Cl)c2)c2ccccc2)cc1 ZINC001447406823 1066805293 /nfs/dbraw/zinc/80/52/93/1066805293.db2.gz DTABMUIXXKFQFP-BVAGGSTKSA-N 0 0 450.966 4.534 20 0 JJADRN CCNC(=O)COc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC001457292255 1066805194 /nfs/dbraw/zinc/80/51/94/1066805194.db2.gz NFLZYYXZTBOHSZ-UHFFFAOYSA-N 0 0 453.542 4.655 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(C)C)CC3)n2CCOc2cccc(C(F)(F)F)n2)cs1 ZINC001492673011 1066805525 /nfs/dbraw/zinc/80/55/25/1066805525.db2.gz JLODYORAVQPSIN-UHFFFAOYSA-N 0 0 494.587 4.999 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492673083 1066805673 /nfs/dbraw/zinc/80/56/73/1066805673.db2.gz LTSCZHKIMWIIEL-WMZOPIPTSA-N 0 0 474.675 4.564 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457294637 1066805882 /nfs/dbraw/zinc/80/58/82/1066805882.db2.gz QETXPJRUBGZMPE-SBUREZEXSA-N 0 0 452.917 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ccccc3-c3nc(C(C)(C)C)no3)C2)C1 ZINC001447413379 1066805842 /nfs/dbraw/zinc/80/58/42/1066805842.db2.gz KBHCMTYDFMLZIZ-RUZDIDTESA-N 0 0 454.571 4.507 20 0 JJADRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001492673334 1066806214 /nfs/dbraw/zinc/80/62/14/1066806214.db2.gz QWOIMQGAEBNNHH-FQEVSTJZSA-N 0 0 485.601 4.582 20 0 JJADRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001447415001 1066806431 /nfs/dbraw/zinc/80/64/31/1066806431.db2.gz KQUBVPYECNHKJJ-FDDCHVKYSA-N 0 0 459.537 4.925 20 0 JJADRN COCCOc1cccc(COC(=O)CCc2nc3cc(Br)ccc3s2)c1 ZINC001457298018 1066806919 /nfs/dbraw/zinc/80/69/19/1066806919.db2.gz XXGUHDFDHYDYDD-UHFFFAOYSA-N 0 0 450.354 4.760 20 0 JJADRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC001457300959 1066807117 /nfs/dbraw/zinc/80/71/17/1066807117.db2.gz YTKGFUPNVANDFC-HZPDHXFCSA-N 0 0 459.377 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](C)C3)n2CCCCn2cc(Br)cn2)cs1 ZINC001492673705 1066807298 /nfs/dbraw/zinc/80/72/98/1066807298.db2.gz ZXROUKHXRMAPMA-CVEARBPZSA-N 0 0 492.491 4.556 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](Cc4ccc(F)cc4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492673738 1066807316 /nfs/dbraw/zinc/80/73/16/1066807316.db2.gz ARZHLSFRVHTJJF-QGZVFWFLSA-N 0 0 483.535 4.768 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCCCn2cc(Br)cn2)cs1 ZINC001492673708 1066807327 /nfs/dbraw/zinc/80/73/27/1066807327.db2.gz ZXROUKHXRMAPMA-JKSUJKDBSA-N 0 0 492.491 4.556 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)NC(N)=O ZINC001447426338 1066807451 /nfs/dbraw/zinc/80/74/51/1066807451.db2.gz LHZBHBBDCHZDNZ-RTBURBONSA-N 0 0 452.555 4.551 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)c1ccccc1 ZINC001545995568 1066807499 /nfs/dbraw/zinc/80/74/99/1066807499.db2.gz VDOJQNKFWBAVTK-FYYLOGMGSA-N 0 0 466.674 4.643 20 0 JJADRN Cc1ccccc1[C@H](CC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)NC(N)=O ZINC001447426330 1066807577 /nfs/dbraw/zinc/80/75/77/1066807577.db2.gz LHZBHBBDCHZDNZ-OALUTQOASA-N 0 0 452.555 4.551 20 0 JJADRN Cc1ccccc1[C@@H](CC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)NC(N)=O ZINC001447426334 1066807646 /nfs/dbraw/zinc/80/76/46/1066807646.db2.gz LHZBHBBDCHZDNZ-RBUKOAKNSA-N 0 0 452.555 4.551 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1)NC(=O)OC(C)(C)C ZINC001545995657 1066807971 /nfs/dbraw/zinc/80/79/71/1066807971.db2.gz WKKBGXNJZANJHM-SFHVURJKSA-N 0 0 459.639 4.910 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(c2nc(C)no2)CC1)Oc1ccccc1F ZINC001545995630 1066807986 /nfs/dbraw/zinc/80/79/86/1066807986.db2.gz WAGYRMQVSHBQNM-IBGZPJMESA-N 0 0 456.566 4.549 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001457312371 1066808125 /nfs/dbraw/zinc/80/81/25/1066808125.db2.gz MKXOLZAUAIAJAH-UEKTYDJUSA-N 0 0 451.526 4.588 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(c2nc(C)no2)CC1)Oc1ccccc1F ZINC001545995631 1066808129 /nfs/dbraw/zinc/80/81/29/1066808129.db2.gz WAGYRMQVSHBQNM-LJQANCHMSA-N 0 0 456.566 4.549 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2CC(F)(F)Br)cs1 ZINC001492674283 1066808531 /nfs/dbraw/zinc/80/85/31/1066808531.db2.gz OWLNHCYNERGTHV-AWEZNQCLSA-N 0 0 486.361 4.755 20 0 JJADRN C[C@](O)(CNC(=O)c1cnc(-c2ccccc2Br)s1)c1cccc(Cl)c1 ZINC001447431624 1066808540 /nfs/dbraw/zinc/80/85/40/1066808540.db2.gz OOFFQOZUNJZZGH-IBGZPJMESA-N 0 0 451.773 4.864 20 0 JJADRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC001447428721 1066808681 /nfs/dbraw/zinc/80/86/81/1066808681.db2.gz RMWGNTYIERDRDA-OZXSUGGESA-N 0 0 458.558 4.899 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2Cc2ccc(I)cc2)cs1 ZINC001492674323 1066808583 /nfs/dbraw/zinc/80/85/83/1066808583.db2.gz QDKIWUOECOKXKX-KBPBESRZSA-N 0 0 493.418 4.521 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(F)cc2I)cc(C(=O)OC(C)(C)C)c1 ZINC001457315656 1066808684 /nfs/dbraw/zinc/80/86/84/1066808684.db2.gz GMAQTPSHEWMRQL-UHFFFAOYSA-N 0 0 455.267 4.946 20 0 JJADRN CCN(CC(=O)NCCC[C@H]1CCCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001447433550 1066808800 /nfs/dbraw/zinc/80/88/00/1066808800.db2.gz HBLWAMZIVMLYTI-HXUWFJFHSA-N 0 0 450.579 4.723 20 0 JJADRN O=C(Nc1ccc(CCC(F)(F)F)cc1)c1ccc2ncc(I)n2c1 ZINC001457317689 1066809223 /nfs/dbraw/zinc/80/92/23/1066809223.db2.gz WPNHHAKOTJGJOE-UHFFFAOYSA-N 0 0 459.209 4.686 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC001447440895 1066809719 /nfs/dbraw/zinc/80/97/19/1066809719.db2.gz BRRHJIZWTFZECG-SFHVURJKSA-N 0 0 456.587 4.671 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c(=O)[nH]1 ZINC001447441261 1066809898 /nfs/dbraw/zinc/80/98/98/1066809898.db2.gz DNEUIVSOTJYIDH-UHFFFAOYSA-N 0 0 453.564 4.755 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)n1 ZINC001447448003 1066810315 /nfs/dbraw/zinc/81/03/15/1066810315.db2.gz JERAJVOOKNZFRQ-NZQKXSOJSA-N 0 0 450.514 4.674 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2CCC2(F)CCC2)CCO1 ZINC001546089472 1066811464 /nfs/dbraw/zinc/81/14/64/1066811464.db2.gz PMDWDWUAYQBUGR-HXUWFJFHSA-N 0 0 451.384 4.995 20 0 JJADRN Cc1coc(C)c1Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001492675997 1066811520 /nfs/dbraw/zinc/81/15/20/1066811520.db2.gz RDONZGSUOVBPOC-UHFFFAOYSA-N 0 0 457.644 4.923 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC001447455071 1066811660 /nfs/dbraw/zinc/81/16/60/1066811660.db2.gz QOYYFBUPPOSACP-HJPURHCSSA-N 0 0 453.539 4.553 20 0 JJADRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)CCn2cc(Br)cn2)n1 ZINC001457335008 1066811797 /nfs/dbraw/zinc/81/17/97/1066811797.db2.gz CSKFXFDEYMRMAE-UHFFFAOYSA-N 0 0 452.740 4.576 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC001457335076 1066811831 /nfs/dbraw/zinc/81/18/31/1066811831.db2.gz CTTQFJBJEIYLFZ-QFIPXVFZSA-N 0 0 453.341 4.793 20 0 JJADRN O=C(CCCNC(=O)c1ccsc1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447460866 1066811990 /nfs/dbraw/zinc/81/19/90/1066811990.db2.gz JWMBHIFXQRCGDM-LJQANCHMSA-N 0 0 456.543 4.591 20 0 JJADRN O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447468352 1066812933 /nfs/dbraw/zinc/81/29/33/1066812933.db2.gz YXBCQODPPCMABT-INIZCTEOSA-N 0 0 450.392 4.753 20 0 JJADRN CCc1csc(-n2cc(C(=O)N3CCC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)cn2)n1 ZINC001457338805 1066813101 /nfs/dbraw/zinc/81/31/01/1066813101.db2.gz LCAXGOSKBIFMPA-MRXNPFEDSA-N 0 0 451.379 4.882 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]4CCCC[C@H]4C3)n2CCCCNC(=O)OC(C)(C)C)cs1 ZINC001492676414 1066813194 /nfs/dbraw/zinc/81/31/94/1066813194.db2.gz FHHJCUQIZIVWOM-PMACEKPBSA-N 0 0 488.702 4.955 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC001457342067 1066813435 /nfs/dbraw/zinc/81/34/35/1066813435.db2.gz DKWUTGRUTSZKOC-HXUWFJFHSA-N 0 0 457.361 4.946 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[C@H](C)O2 ZINC001457342688 1066813510 /nfs/dbraw/zinc/81/35/10/1066813510.db2.gz IFCFRYDMZCHHJT-QKKBWIMNSA-N 0 0 453.377 4.519 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C[C@@H](C)O2 ZINC001457342710 1066813544 /nfs/dbraw/zinc/81/35/44/1066813544.db2.gz IFCFRYDMZCHHJT-SZNDQCEHSA-N 0 0 453.377 4.519 20 0 JJADRN Cc1cc(Br)cn2cc(CNC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)nc12 ZINC001447484950 1066814005 /nfs/dbraw/zinc/81/40/05/1066814005.db2.gz BBIKPONKGZOGLN-UHFFFAOYSA-N 0 0 459.344 4.682 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)N1CCO[C@@H](CCc3ccccc3)C1)N2C(=O)OC(C)(C)C ZINC001447482453 1066813986 /nfs/dbraw/zinc/81/39/86/1066813986.db2.gz JPHMUKVYIRRAAD-URXFXBBRSA-N 0 0 450.579 4.521 20 0 JJADRN Cc1ccc(Cc2nc(C(=O)NCc3cn4cc(Br)cc(C)c4n3)cs2)cc1 ZINC001447484996 1066814072 /nfs/dbraw/zinc/81/40/72/1066814072.db2.gz BGSUXPVUQRSNFC-UHFFFAOYSA-N 0 0 455.381 4.691 20 0 JJADRN COc1ccccc1C1(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCC1 ZINC001447482228 1066814094 /nfs/dbraw/zinc/81/40/94/1066814094.db2.gz TUSSDOHUXAEUDN-NRFANRHFSA-N 0 0 452.595 4.759 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]4CCCC[C@@H]4C3)n2CCOCC(F)(F)C(F)F)cs1 ZINC001492676766 1066814304 /nfs/dbraw/zinc/81/43/04/1066814304.db2.gz OCYHQTOVUTWHLW-JKSUJKDBSA-N 0 0 475.556 4.567 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CCc2nccc(C(F)(F)F)n2)CCO1 ZINC001546089588 1066814510 /nfs/dbraw/zinc/81/45/10/1066814510.db2.gz RQYPDFKFOUSEJV-OAQYLSRUSA-N 0 0 480.922 4.655 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)c(C)cc2Br)cnn1CCO[C@H]1CCCCO1 ZINC001447491372 1066815280 /nfs/dbraw/zinc/81/52/80/1066815280.db2.gz POOZPUHFHIRSLJ-SFHVURJKSA-N 0 0 456.768 4.711 20 0 JJADRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001457356365 1066815272 /nfs/dbraw/zinc/81/52/72/1066815272.db2.gz FWMZVCAZNBWJKM-SIXWZSSISA-N 0 0 453.396 4.771 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC001457356253 1066815303 /nfs/dbraw/zinc/81/53/03/1066815303.db2.gz WYRMMGSZEOTDJL-BWKNWUBXSA-N 0 0 457.574 4.634 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC4(C3)CCC(F)(F)CC4)n2CCNC(=O)OC(C)(C)C)cs1 ZINC001492677083 1066815520 /nfs/dbraw/zinc/81/55/20/1066815520.db2.gz VMOGENDBBZGDQU-UHFFFAOYSA-N 0 0 496.628 4.564 20 0 JJADRN CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001457358747 1066815883 /nfs/dbraw/zinc/81/58/83/1066815883.db2.gz MSPLMLWGVDMOQL-HXUWFJFHSA-N 0 0 452.835 4.908 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)N3CCCC[C@@H]3CCN(C)C(=O)OC(C)(C)C)c2)n1 ZINC001457358070 1066816008 /nfs/dbraw/zinc/81/60/08/1066816008.db2.gz DMLRVILQOZHUFM-OAQYLSRUSA-N 0 0 453.587 4.780 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)cs1 ZINC001492677631 1066816711 /nfs/dbraw/zinc/81/67/11/1066816711.db2.gz BFZBCLXGZTZYEA-HXUWFJFHSA-N 0 0 496.681 4.732 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001447510789 1066816733 /nfs/dbraw/zinc/81/67/33/1066816733.db2.gz PDDPFSAQIGTYLT-GAJHUEQPSA-N 0 0 467.393 4.635 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)cs1 ZINC001492677764 1066816788 /nfs/dbraw/zinc/81/67/88/1066816788.db2.gz MJSPIUPNLMKEEM-SIKLNZKXSA-N 0 0 479.572 4.709 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001447510506 1066816795 /nfs/dbraw/zinc/81/67/95/1066816795.db2.gz MYZFEWVFIBSKGQ-LPHOPBHVSA-N 0 0 455.382 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001447510499 1066816816 /nfs/dbraw/zinc/81/68/16/1066816816.db2.gz MYZFEWVFIBSKGQ-APWZRJJASA-N 0 0 455.382 4.539 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C[C@@H]1CCCC2 ZINC001457364735 1066817033 /nfs/dbraw/zinc/81/70/33/1066817033.db2.gz PBQMHQRXIBQHOU-ATLLOTDBSA-N 0 0 452.636 4.534 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2CC2CCN(CC(F)(F)F)CC2)cs1 ZINC001492677584 1066817057 /nfs/dbraw/zinc/81/70/57/1066817057.db2.gz AVHSNVCQPCNPEX-UHFFFAOYSA-N 0 0 470.609 4.535 20 0 JJADRN CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)Cc3c(Cl)cccc3Br)C2)C1 ZINC001457364004 1066817086 /nfs/dbraw/zinc/81/70/86/1066817086.db2.gz MKCKFMKJCAJZKQ-UHFFFAOYSA-N 0 0 457.796 4.597 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@H](C)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492677772 1066817097 /nfs/dbraw/zinc/81/70/97/1066817097.db2.gz MQNWZMKCQRWDLS-ICSRJNTNSA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3ccco3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cs1 ZINC001492677973 1066817141 /nfs/dbraw/zinc/81/71/41/1066817141.db2.gz OXJITZIHVIHQCR-QFBILLFUSA-N 0 0 486.642 4.729 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](C)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492677774 1066817161 /nfs/dbraw/zinc/81/71/61/1066817161.db2.gz MQNWZMKCQRWDLS-UYAOXDASSA-N 0 0 488.702 4.907 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)NC(=O)OC(C)(C)C ZINC001545996944 1066817158 /nfs/dbraw/zinc/81/71/58/1066817158.db2.gz HGFAWUYNKTWDFF-LJQANCHMSA-N 0 0 489.020 4.758 20 0 JJADRN CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCN1Cc1ccccc1 ZINC001447515203 1066817277 /nfs/dbraw/zinc/81/72/77/1066817277.db2.gz XNAQAZOTAUQQGZ-HXUWFJFHSA-N 0 0 456.999 4.605 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCc2cccc(F)c2)cs1 ZINC001492678228 1066817790 /nfs/dbraw/zinc/81/77/90/1066817790.db2.gz ICAGDDZXJGCXQT-IBGZPJMESA-N 0 0 483.535 4.563 20 0 JJADRN O=Cc1cc(Br)cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC001447522210 1066818040 /nfs/dbraw/zinc/81/80/40/1066818040.db2.gz GALCOGYILQNUMA-AWEZNQCLSA-N 0 0 452.173 4.896 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001457369852 1066818291 /nfs/dbraw/zinc/81/82/91/1066818291.db2.gz LBFIPEQBPVKFFL-UHFFFAOYSA-N 0 0 452.551 4.980 20 0 JJADRN CCc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)Nc3cccc(F)c3)ccc1F)CC2 ZINC001457371358 1066818411 /nfs/dbraw/zinc/81/84/11/1066818411.db2.gz KONJRVGLXICBHT-UHFFFAOYSA-N 0 0 456.514 4.527 20 0 JJADRN Cc1ccc(NC(=O)c2c(Br)cccc2Br)cc1N1CCOC1=O ZINC001457373264 1066818755 /nfs/dbraw/zinc/81/87/55/1066818755.db2.gz LVLNDOHEILNFGA-UHFFFAOYSA-N 0 0 454.118 4.729 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC4(CCCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492678607 1066818894 /nfs/dbraw/zinc/81/88/94/1066818894.db2.gz ZZEDSIVLENFCJV-QGZVFWFLSA-N 0 0 474.675 4.708 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001447529861 1066818923 /nfs/dbraw/zinc/81/89/23/1066818923.db2.gz HXDLBVDBHFTBKM-UHFFFAOYSA-N 0 0 456.543 4.578 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(Cl)c1 ZINC001457382794 1066819523 /nfs/dbraw/zinc/81/95/23/1066819523.db2.gz HSRGIKKDUOTYOR-MRXNPFEDSA-N 0 0 455.942 4.665 20 0 JJADRN CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(S(=O)(=O)NCc3cccs3)c1)C2 ZINC001457378962 1066819566 /nfs/dbraw/zinc/81/95/66/1066819566.db2.gz YPBAWIWYQNHZNA-UHFFFAOYSA-N 0 0 454.617 4.549 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cc(C)c(F)cc4F)cs3)CC2=O)cc1 ZINC001457380779 1066819575 /nfs/dbraw/zinc/81/95/75/1066819575.db2.gz DRXCGUWZJGKELJ-AWEZNQCLSA-N 0 0 457.502 4.787 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)C3)n2Cc2cc(Br)cs2)cs1 ZINC001492678727 1066819458 /nfs/dbraw/zinc/81/94/58/1066819458.db2.gz NARDIJBBDRBSAG-GFCCVEGCSA-N 0 0 452.447 4.742 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2)ccc1F ZINC001447536445 1066819682 /nfs/dbraw/zinc/81/96/82/1066819682.db2.gz WVEBAIFWJJVCMM-UHFFFAOYSA-N 0 0 456.543 4.578 20 0 JJADRN Cc1c(I)cccc1NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC001447533834 1066819735 /nfs/dbraw/zinc/81/97/35/1066819735.db2.gz QBGIWYGNQRDAOY-ZWNOBZJWSA-N 0 0 452.267 4.586 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)C1(F)F ZINC001447549856 1066820244 /nfs/dbraw/zinc/82/02/44/1066820244.db2.gz DMJRKBJJEWVLFB-ZACQAIPSSA-N 0 0 458.427 4.965 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccccc2OC(F)(F)F)cs1 ZINC001492679039 1066820660 /nfs/dbraw/zinc/82/06/60/1066820660.db2.gz SWHBULOQZUBYQU-CQSZACIVSA-N 0 0 451.518 4.817 20 0 JJADRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(Oc4cccc(Br)c4)CC3)cc2C1 ZINC001447554540 1066820787 /nfs/dbraw/zinc/82/07/87/1066820787.db2.gz CETRLTAHBKHRLF-HNNXBMFYSA-N 0 0 459.384 4.748 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)C3)n2Cc2ccccc2OC(F)(F)F)cs1 ZINC001492679038 1066820884 /nfs/dbraw/zinc/82/08/84/1066820884.db2.gz SWHBULOQZUBYQU-AWEZNQCLSA-N 0 0 451.518 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC001492679144 1066820906 /nfs/dbraw/zinc/82/09/06/1066820906.db2.gz WAAALDVVKAWAJW-XLIONFOSSA-N 0 0 474.675 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492679190 1066821199 /nfs/dbraw/zinc/82/11/99/1066821199.db2.gz WPSPJOCTEQNPNX-IBGZPJMESA-N 0 0 488.702 4.907 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2Cc2ccc(F)cc2F)cs1 ZINC001492679246 1066821276 /nfs/dbraw/zinc/82/12/76/1066821276.db2.gz XSMCENCGUXBTAA-LJQANCHMSA-N 0 0 461.582 4.744 20 0 JJADRN C[C@@H](CC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457394329 1066821262 /nfs/dbraw/zinc/82/12/62/1066821262.db2.gz PVHMGBNUTKVPOM-UDJSKEQPSA-N 0 0 479.662 4.708 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[C@@H](C)c2ccccc2)cs1 ZINC001492679481 1066822028 /nfs/dbraw/zinc/82/20/28/1066822028.db2.gz FACJVSXSTDEGOW-LJQANCHMSA-N 0 0 480.682 4.522 20 0 JJADRN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545997327 1066822529 /nfs/dbraw/zinc/82/25/29/1066822529.db2.gz MWHTTYRDJZDQOR-KRWDZBQOSA-N 0 0 463.573 4.687 20 0 JJADRN O=C(NCc1c(F)c(F)cc(F)c1F)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001457399875 1066822519 /nfs/dbraw/zinc/82/25/19/1066822519.db2.gz PIKGAFCCXDMJNF-UHFFFAOYSA-N 0 0 450.392 4.621 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC001457399966 1066822612 /nfs/dbraw/zinc/82/26/12/1066822612.db2.gz JTZCLOMDSWXDDU-LJQANCHMSA-N 0 0 455.624 4.875 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCc2ccccc2F)cs1 ZINC001492681692 1066823775 /nfs/dbraw/zinc/82/37/75/1066823775.db2.gz DRTCTAZSQVZDAC-DEOSSOPVSA-N 0 0 457.619 4.657 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)c3cccnc3Cl)CC2)Oc2ccccc21 ZINC001457408415 1066824246 /nfs/dbraw/zinc/82/42/46/1066824246.db2.gz CMVQRXOIGWBABP-SFHVURJKSA-N 0 0 457.958 4.758 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)c3cccnc3Cl)CC2)Oc2ccccc21 ZINC001457408406 1066824280 /nfs/dbraw/zinc/82/42/80/1066824280.db2.gz CMVQRXOIGWBABP-GOSISDBHSA-N 0 0 457.958 4.758 20 0 JJADRN CCc1c(C(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC001457411850 1066824740 /nfs/dbraw/zinc/82/47/40/1066824740.db2.gz GRPYTVBGDDISLZ-NRFANRHFSA-N 0 0 451.876 4.576 20 0 JJADRN O=C(NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Oc2ccccc2F)nc1 ZINC001457411240 1066824766 /nfs/dbraw/zinc/82/47/66/1066824766.db2.gz DADRFCZEYGCALI-HXUWFJFHSA-N 0 0 454.807 4.846 20 0 JJADRN Cc1cc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n(-c2cc(C)nc(C)n2)n1 ZINC001457409996 1066824890 /nfs/dbraw/zinc/82/48/90/1066824890.db2.gz RPAQALJFIQWHNX-UHFFFAOYSA-N 0 0 454.962 4.868 20 0 JJADRN O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001447579958 1066824868 /nfs/dbraw/zinc/82/48/68/1066824868.db2.gz OFPICAHYRBXCAL-HXUWFJFHSA-N 0 0 455.283 4.526 20 0 JJADRN O=C(N[C@@H](CCO)c1ccccc1Br)c1oc2ccccc2c1Br ZINC001447579855 1066824925 /nfs/dbraw/zinc/82/49/25/1066824925.db2.gz CRBWPAZQZINQKZ-AWEZNQCLSA-N 0 0 453.130 4.811 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC001457413723 1066825297 /nfs/dbraw/zinc/82/52/97/1066825297.db2.gz RBFPSLNAJCJFIZ-UHFFFAOYSA-N 0 0 457.571 4.531 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](COc4ccccc4)C3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492682832 1066825496 /nfs/dbraw/zinc/82/54/96/1066825496.db2.gz IKRWKMGGCGLYLR-LJQANCHMSA-N 0 0 495.571 4.507 20 0 JJADRN COc1ccc(-c2nc(C(=O)NC[C@](O)(c3ccccc3Cl)C(F)(F)F)cs2)cc1 ZINC001457415760 1066825946 /nfs/dbraw/zinc/82/59/46/1066825946.db2.gz NJUGHLVEWPPXJV-IBGZPJMESA-N 0 0 456.873 4.652 20 0 JJADRN COc1ccc(C(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)cc1-c1ccccn1 ZINC001457414334 1066825973 /nfs/dbraw/zinc/82/59/73/1066825973.db2.gz JFGQVVCLEQSGLL-OAQYLSRUSA-N 0 0 450.844 4.591 20 0 JJADRN O=C(Cn1ncc2ccccc21)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447585783 1066826174 /nfs/dbraw/zinc/82/61/74/1066826174.db2.gz VANUUHLUKPSCNA-QHCPKHFHSA-N 0 0 453.464 4.818 20 0 JJADRN CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(CC)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545997978 1066826236 /nfs/dbraw/zinc/82/62/36/1066826236.db2.gz ZOMUIUAXANBCQX-OAQYLSRUSA-N 0 0 459.610 4.938 20 0 JJADRN Cc1[nH]nc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC001457417053 1066826666 /nfs/dbraw/zinc/82/66/66/1066826666.db2.gz LOLRTWSOQHJVTG-UHFFFAOYSA-N 0 0 451.328 4.597 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492683662 1066826734 /nfs/dbraw/zinc/82/67/34/1066826734.db2.gz FEEBJILYPCAGHV-FQEVSTJZSA-N 0 0 479.622 4.569 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001457419742 1066827181 /nfs/dbraw/zinc/82/71/81/1066827181.db2.gz YCFMAQOTSXBFEA-HXUWFJFHSA-N 0 0 456.823 4.633 20 0 JJADRN Cc1[nH]nc(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)c1-c1ccc(Br)cc1 ZINC001457419198 1066827247 /nfs/dbraw/zinc/82/72/47/1066827247.db2.gz ZWABLDXYLZBHGX-UHFFFAOYSA-N 0 0 455.234 4.881 20 0 JJADRN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](c2ccccc2Cl)N(C)C)cs1 ZINC001492683790 1066827384 /nfs/dbraw/zinc/82/73/84/1066827384.db2.gz IOAQTHCXYANIJZ-FQEVSTJZSA-N 0 0 491.130 4.922 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C(F)(F)F)CC[C@@H]3C)c2)c1 ZINC001447594408 1066827440 /nfs/dbraw/zinc/82/74/40/1066827440.db2.gz JHOPKXBKQHRMJD-IRXDYDNUSA-N 0 0 454.514 4.907 20 0 JJADRN O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1)c1ccc2nnc(C(F)F)n2c1 ZINC001457421332 1066828116 /nfs/dbraw/zinc/82/81/16/1066828116.db2.gz BZFDOWQXCJCEJG-UHFFFAOYSA-N 0 0 456.762 4.982 20 0 JJADRN COC(=O)COc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)cc1 ZINC001457422330 1066828121 /nfs/dbraw/zinc/82/81/21/1066828121.db2.gz MHNXOCVYAZEOGX-UHFFFAOYSA-N 0 0 453.804 4.553 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C)C3)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492684401 1066828501 /nfs/dbraw/zinc/82/85/01/1066828501.db2.gz YNWPLOGZJMCWQS-CQSZACIVSA-N 0 0 467.586 4.837 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(COc4ccccc4F)n3CCCC(C)C)C2)no1 ZINC001492684788 1066828702 /nfs/dbraw/zinc/82/87/02/1066828702.db2.gz JIJKQDDPJDVJFN-LJQANCHMSA-N 0 0 456.566 4.583 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC001447614048 1066828676 /nfs/dbraw/zinc/82/86/76/1066828676.db2.gz WLFBQSHLIDOHER-QFIPXVFZSA-N 0 0 459.594 4.918 20 0 JJADRN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545997443 1066829161 /nfs/dbraw/zinc/82/91/61/1066829161.db2.gz OSQJFNFXADEPKO-DLBZAZTESA-N 0 0 463.573 4.687 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c(Cl)c2)n1 ZINC001447617198 1066829284 /nfs/dbraw/zinc/82/92/84/1066829284.db2.gz KFWGSLRZQYRTQO-INIZCTEOSA-N 0 0 456.905 4.582 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccccc4Br)n3CCC(C)C)C2)no1 ZINC001492685070 1066829181 /nfs/dbraw/zinc/82/91/81/1066829181.db2.gz BTGIEIIFGDVBJS-QGZVFWFLSA-N 0 0 473.419 4.904 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 ZINC001457426896 1066829600 /nfs/dbraw/zinc/82/96/00/1066829600.db2.gz YJGRHBZGTBNXPW-UHFFFAOYSA-N 0 0 458.609 4.851 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(C)n3)n2CCc2cc(Br)ccc2F)CCO1 ZINC001546090808 1066829666 /nfs/dbraw/zinc/82/96/66/1066829666.db2.gz DFZZJZYNAMIIEZ-HSZRJFAPSA-N 0 0 488.405 4.798 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)no1 ZINC001492685271 1066829789 /nfs/dbraw/zinc/82/97/89/1066829789.db2.gz FIHBWXBTNSYXNU-MRXNPFEDSA-N 0 0 476.984 4.598 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCCOC2CCCC2)cs1 ZINC001492685200 1066829805 /nfs/dbraw/zinc/82/98/05/1066829805.db2.gz DMAHIPPHOOFZDF-IYBDPMFKSA-N 0 0 453.603 4.711 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C ZINC001447618251 1066829856 /nfs/dbraw/zinc/82/98/56/1066829856.db2.gz GOIINCDQTSDXAZ-OAQYLSRUSA-N 0 0 452.599 4.720 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)c2)cc1 ZINC001457426462 1066829802 /nfs/dbraw/zinc/82/98/02/1066829802.db2.gz PCNDWCZREGLALJ-OALUTQOASA-N 0 0 450.604 4.963 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(OCC(C)C)cc3)C2)no1 ZINC001492685350 1066829868 /nfs/dbraw/zinc/82/98/68/1066829868.db2.gz GEUPKYGYRJAKRH-OAQYLSRUSA-N 0 0 466.630 4.809 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CCc4ccccc4)n3CC(C)(C)C(C)C)C2)no1 ZINC001492685776 1066830447 /nfs/dbraw/zinc/83/04/47/1066830447.db2.gz ZBMLUFFOAXSNCF-JOCHJYFZSA-N 0 0 450.631 4.896 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545998909 1066830834 /nfs/dbraw/zinc/83/08/34/1066830834.db2.gz DXOXOPUMYPZKIT-URXFXBBRSA-N 0 0 490.652 4.951 20 0 JJADRN Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)no1 ZINC001492686047 1066830948 /nfs/dbraw/zinc/83/09/48/1066830948.db2.gz RJBXIFGENQFESG-HNNXBMFYSA-N 0 0 477.382 4.653 20 0 JJADRN O=C(c1cc(Br)cc2nc[nH]c21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447629299 1066831491 /nfs/dbraw/zinc/83/14/91/1066831491.db2.gz DFVGYHMGVRYTIB-INIZCTEOSA-N 0 0 454.246 4.558 20 0 JJADRN Nc1cc(Br)cc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1N ZINC001447629995 1066831545 /nfs/dbraw/zinc/83/15/45/1066831545.db2.gz GRJCABXWEHFKLT-ZDUSSCGKSA-N 0 0 456.184 4.666 20 0 JJADRN O=C(CCOc1cc(Cl)cc(Cl)c1)Nc1ccc(I)cc1O ZINC001447628050 1066831578 /nfs/dbraw/zinc/83/15/78/1066831578.db2.gz VERVZMOQCMHWKR-UHFFFAOYSA-N 0 0 452.075 4.711 20 0 JJADRN Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCOC(C)(C)[C@@H]2C)cs1 ZINC001492686437 1066831591 /nfs/dbraw/zinc/83/15/91/1066831591.db2.gz BBRBGLWKGCPVMN-HOTGVXAUSA-N 0 0 459.591 4.569 20 0 JJADRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)[C@H](C)Sc2ccc(OC)cc2)ccn1 ZINC001457435697 1066831845 /nfs/dbraw/zinc/83/18/45/1066831845.db2.gz MWXOCQLYIBWNKX-INIZCTEOSA-N 0 0 451.548 4.670 20 0 JJADRN Cc1cc(OCC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1Br ZINC001447629739 1066831900 /nfs/dbraw/zinc/83/19/00/1066831900.db2.gz GQGLQVKOOGAHIW-GOSISDBHSA-N 0 0 458.274 4.755 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N2CC(C)(C)OC[C@@H]2C)cs1 ZINC001492687126 1066831943 /nfs/dbraw/zinc/83/19/43/1066831943.db2.gz BIDBROZGAFOTKI-AWEZNQCLSA-N 0 0 476.444 4.719 20 0 JJADRN Cn1nc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1NC(=O)OC(C)(C)C ZINC001447629753 1066832056 /nfs/dbraw/zinc/83/20/56/1066832056.db2.gz HIAVZJVRBRIKJH-UHFFFAOYSA-N 0 0 452.477 4.985 20 0 JJADRN Cc1nc(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC(C)CC2)n[nH]1 ZINC001492687205 1066832591 /nfs/dbraw/zinc/83/25/91/1066832591.db2.gz CSVXNAYDTHLMKC-UHFFFAOYSA-N 0 0 476.398 4.531 20 0 JJADRN Cc1ccc(I)c(OC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001457450292 1066833600 /nfs/dbraw/zinc/83/36/00/1066833600.db2.gz XLXKEKMTNYUBGJ-MLGOLLRUSA-N 0 0 462.205 4.687 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccoc2)cs1 ZINC001492687701 1066833751 /nfs/dbraw/zinc/83/37/51/1066833751.db2.gz NOGBOMTVKKYRGY-UHFFFAOYSA-N 0 0 458.385 4.945 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 ZINC001457456002 1066834104 /nfs/dbraw/zinc/83/41/04/1066834104.db2.gz CKSJNGXZKXVOMQ-NZQKXSOJSA-N 0 0 457.361 4.599 20 0 JJADRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001457454907 1066834105 /nfs/dbraw/zinc/83/41/05/1066834105.db2.gz TTZRTGWXPQEUMC-WIYYLYMNSA-N 0 0 453.583 4.882 20 0 JJADRN CSc1c(F)cc(NC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1F ZINC001447637575 1066834326 /nfs/dbraw/zinc/83/43/26/1066834326.db2.gz ZDHLAERBRORNFL-OAHLLOKOSA-N 0 0 452.527 4.708 20 0 JJADRN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001447637537 1066834340 /nfs/dbraw/zinc/83/43/40/1066834340.db2.gz ZYJAIHOIWAQNRQ-WMZOPIPTSA-N 0 0 459.390 4.582 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccc2Cl)n[nH]1 ZINC001492687844 1066834457 /nfs/dbraw/zinc/83/44/57/1066834457.db2.gz SAFXUYMUIDIYFN-UHFFFAOYSA-N 0 0 492.834 4.728 20 0 JJADRN CN(C(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457458753 1066834675 /nfs/dbraw/zinc/83/46/75/1066834675.db2.gz TXDDPXGTSCSROL-MZMPXXGTSA-N 0 0 453.926 4.940 20 0 JJADRN CN(C(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457458751 1066834779 /nfs/dbraw/zinc/83/47/79/1066834779.db2.gz TXDDPXGTSCSROL-DGSRBQDKSA-N 0 0 453.926 4.940 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545999106 1066834953 /nfs/dbraw/zinc/83/49/53/1066834953.db2.gz ICYPHZPICHZDCS-CTNGQTDRSA-N 0 0 480.613 4.810 20 0 JJADRN COCCNc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC001447643977 1066835011 /nfs/dbraw/zinc/83/50/11/1066835011.db2.gz KBZOSZPOLPDCOB-UHFFFAOYSA-N 0 0 452.399 4.874 20 0 JJADRN Cc1nc(CCn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccc(Br)cc2)cs1 ZINC001492689161 1066835019 /nfs/dbraw/zinc/83/50/19/1066835019.db2.gz OFONHTNDDZLRKS-UHFFFAOYSA-N 0 0 471.428 4.722 20 0 JJADRN Cc1cc(C(F)(F)C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cnc1Cl ZINC001457459833 1066835205 /nfs/dbraw/zinc/83/52/05/1066835205.db2.gz IJNSKEOUDXBWRJ-UHFFFAOYSA-N 0 0 455.845 4.850 20 0 JJADRN Cc1nc(CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccccc2Br)cs1 ZINC001492690307 1066835711 /nfs/dbraw/zinc/83/57/11/1066835711.db2.gz NHSSWDOVMNSBEP-UHFFFAOYSA-N 0 0 483.439 4.670 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545999169 1066836092 /nfs/dbraw/zinc/83/60/92/1066836092.db2.gz JBLNOBLIUMMTHB-NHCUHLMSSA-N 0 0 471.646 4.663 20 0 JJADRN Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N2CCC(Cl)=C(Cl)C2)cs1 ZINC001492690622 1066836243 /nfs/dbraw/zinc/83/62/43/1066836243.db2.gz SWUAHKZZJQMABG-UHFFFAOYSA-N 0 0 455.440 4.541 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cs1 ZINC001492690569 1066836335 /nfs/dbraw/zinc/83/63/35/1066836335.db2.gz SBXWXCJGDWRBRB-HXUWFJFHSA-N 0 0 457.619 4.800 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(C(=O)C(C)(C)C(C)(F)F)CC2)C1 ZINC001457464433 1066836338 /nfs/dbraw/zinc/83/63/38/1066836338.db2.gz BLYLUSHRKAAXFA-UHFFFAOYSA-N 0 0 452.542 4.859 20 0 JJADRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCSc1ccccc1Br ZINC001457466446 1066836893 /nfs/dbraw/zinc/83/68/93/1066836893.db2.gz OKYBMCWJBQQLHX-UHFFFAOYSA-N 0 0 459.450 4.941 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545999242 1066837355 /nfs/dbraw/zinc/83/73/55/1066837355.db2.gz KBFJQZPDCFMDGL-QUCCMNQESA-N 0 0 466.586 4.502 20 0 JJADRN C[C@@H]1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCS1(=O)=O ZINC001447655411 1066837371 /nfs/dbraw/zinc/83/73/71/1066837371.db2.gz YXBZWIHVOIMSOV-CQSZACIVSA-N 0 0 458.432 4.935 20 0 JJADRN Cc1nc(CCn2c(N(C)Cc3ccccc3Cl)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001492691858 1066837483 /nfs/dbraw/zinc/83/74/83/1066837483.db2.gz KRZCPTOVVPTJQN-QHCPKHFHSA-N 0 0 476.046 4.616 20 0 JJADRN Cc1nc(CCn2c(N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)nnc2C(C)(C)C)cs1 ZINC001492692574 1066838037 /nfs/dbraw/zinc/83/80/37/1066838037.db2.gz XRUXDFTUWNYEGC-LJQANCHMSA-N 0 0 477.581 4.763 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c2cc(F)ccc2OC)c1 ZINC001457471529 1066838510 /nfs/dbraw/zinc/83/85/10/1066838510.db2.gz HLOJKNOZOODREQ-YZZKKUAISA-N 0 0 457.542 4.807 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(Cc4ccc(F)cc4)n3CCCC(C)C)CC2)cs1 ZINC001492693518 1066838705 /nfs/dbraw/zinc/83/87/05/1066838705.db2.gz GSKNQSXYSRYVJP-UHFFFAOYSA-N 0 0 456.635 4.531 20 0 JJADRN CCOC(=O)c1c(NC(=O)C2(C(F)F)CCC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001457473489 1066839137 /nfs/dbraw/zinc/83/91/37/1066839137.db2.gz CGSBEIMTGFYQKT-UHFFFAOYSA-N 0 0 458.527 4.592 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545998789 1066839224 /nfs/dbraw/zinc/83/92/24/1066839224.db2.gz BDWNRPQSFPAZMI-SESVDKBCSA-N 0 0 489.636 4.563 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(Cc2ccsc2)nnc1N(C)CCOC(C)(C)C ZINC001492694068 1066839283 /nfs/dbraw/zinc/83/92/83/1066839283.db2.gz CNEZIULGXNYKOR-UHFFFAOYSA-N 0 0 452.628 4.540 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)CC2)cs1 ZINC001492693963 1066839334 /nfs/dbraw/zinc/83/93/34/1066839334.db2.gz ZGPHRDJMOPZVNR-UHFFFAOYSA-N 0 0 487.743 4.776 20 0 JJADRN COc1cccc([C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2cc(F)ccc2OC)c1 ZINC001457477019 1066839569 /nfs/dbraw/zinc/83/95/69/1066839569.db2.gz PTVHSHVVEDBHSW-JOCHJYFZSA-N 0 0 457.885 4.787 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2Cc2cccc(Br)n2)cs1 ZINC001492694213 1066840109 /nfs/dbraw/zinc/84/01/09/1066840109.db2.gz CKVWBGWTMXBZLY-QGZVFWFLSA-N 0 0 461.433 4.789 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)Oc1cccc(C(F)(F)F)c1 ZINC001457478527 1066840058 /nfs/dbraw/zinc/84/00/58/1066840058.db2.gz SFHRKKXRXKMJOB-JQHSSLGASA-N 0 0 459.505 4.506 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001457479300 1066840212 /nfs/dbraw/zinc/84/02/12/1066840212.db2.gz PHHXUBGTGZDJJH-UHFFFAOYSA-N 0 0 450.582 4.840 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)C)cs1 ZINC001492694716 1066840495 /nfs/dbraw/zinc/84/04/95/1066840495.db2.gz KTHNRQUUNARHCM-LJQANCHMSA-N 0 0 459.019 4.620 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccc(Cl)c3)n2CCCCCS(C)(=O)=O)cs1 ZINC001492694967 1066840510 /nfs/dbraw/zinc/84/05/10/1066840510.db2.gz NQNNTTZFGPOVCC-HXUWFJFHSA-N 0 0 494.086 4.920 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)c12 ZINC001457483894 1066840544 /nfs/dbraw/zinc/84/05/44/1066840544.db2.gz YRYXTSUSBCRYOX-LHEBDHONSA-N 0 0 452.605 4.576 20 0 JJADRN Cc1nc2ccccc2n1CCCn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1C(C)(C)C ZINC001492695110 1066840871 /nfs/dbraw/zinc/84/08/71/1066840871.db2.gz ZTXKWCFWNLVMRO-SANMLTNESA-N 0 0 452.647 4.965 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)c2nccs2)s1 ZINC001492695075 1066840880 /nfs/dbraw/zinc/84/08/80/1066840880.db2.gz ZBKMRDMTRKMIPL-MRXNPFEDSA-N 0 0 481.651 4.809 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1)O[C@@H](C)C2 ZINC001457488226 1066841168 /nfs/dbraw/zinc/84/11/68/1066841168.db2.gz KUGXFMAAYSKGQX-XNKDMPNBSA-N 0 0 457.954 4.586 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cnn1-c1ccc(C)cc1 ZINC001447686755 1066841565 /nfs/dbraw/zinc/84/15/65/1066841565.db2.gz GNNXJDBCUYXOKH-UWJYYQICSA-N 0 0 456.587 4.832 20 0 JJADRN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC001447687684 1066841653 /nfs/dbraw/zinc/84/16/53/1066841653.db2.gz ITOMTSFLOMNLNH-HNNXBMFYSA-N 0 0 453.539 4.667 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C3CCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492695258 1066841705 /nfs/dbraw/zinc/84/17/05/1066841705.db2.gz UVJUJROYZDBSKI-GOSISDBHSA-N 0 0 460.648 4.955 20 0 JJADRN C[C@H]1Sc2ccccc2N(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)[C@@H]1C ZINC001457489763 1066841732 /nfs/dbraw/zinc/84/17/32/1066841732.db2.gz AMNCDSJBYSHMPY-HUUCEWRRSA-N 0 0 458.630 4.672 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001447690147 1066842127 /nfs/dbraw/zinc/84/21/27/1066842127.db2.gz OGWOVQLFPLRKDX-QRWLVFNGSA-N 0 0 457.796 4.708 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC001457492211 1066842203 /nfs/dbraw/zinc/84/22/03/1066842203.db2.gz PUEKGWMNVRZRQO-DRSNIGMVSA-N 0 0 458.986 4.612 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC001447691942 1066842691 /nfs/dbraw/zinc/84/26/91/1066842691.db2.gz UMALDKNEQKSOLS-INIZCTEOSA-N 0 0 457.752 4.703 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cnn1-c1ccc(C)cc1 ZINC001447690383 1066842767 /nfs/dbraw/zinc/84/27/67/1066842767.db2.gz SUPUBZNCVJYADG-LJQANCHMSA-N 0 0 450.970 4.774 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCSCC(F)(F)F)s1 ZINC001492695578 1066842931 /nfs/dbraw/zinc/84/29/31/1066842931.db2.gz GWAGRILPAYAMOP-UHFFFAOYSA-N 0 0 462.954 4.690 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)c2cccs2)s1 ZINC001492695717 1066843329 /nfs/dbraw/zinc/84/33/29/1066843329.db2.gz MBFCJXXDVBGKNK-OAQYLSRUSA-N 0 0 460.028 4.969 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2Cc2cc(Br)cs2)s1 ZINC001492695740 1066843337 /nfs/dbraw/zinc/84/33/37/1066843337.db2.gz MQLXDAOOTQVNHK-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4S[C@H](C)[C@@H]3C)c2)C1 ZINC001457500035 1066844093 /nfs/dbraw/zinc/84/40/93/1066844093.db2.gz VZBJPSHMOLKAOC-ZSYWTGECSA-N 0 0 458.649 4.883 20 0 JJADRN C/C(=C/C(=O)NC[C@@H](CO)Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001447699128 1066844519 /nfs/dbraw/zinc/84/45/19/1066844519.db2.gz SAHHXWWUETYZBS-LTBFUDJGSA-N 0 0 456.302 4.839 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)s1 ZINC001492695964 1066844634 /nfs/dbraw/zinc/84/46/34/1066844634.db2.gz RWPZHVXALZFOKC-UHFFFAOYSA-N 0 0 476.940 4.752 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001457502799 1066844697 /nfs/dbraw/zinc/84/46/97/1066844697.db2.gz AHAWKACKWYCBDY-DNVCBOLYSA-N 0 0 458.352 4.793 20 0 JJADRN CCCn1c2ccccc2n(CC)c1=NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001447707654 1066845146 /nfs/dbraw/zinc/84/51/46/1066845146.db2.gz GJGFHMIKYAZEEG-IBGZPJMESA-N 0 0 456.631 4.973 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)s1 ZINC001492696088 1066845350 /nfs/dbraw/zinc/84/53/50/1066845350.db2.gz GZHPHILWRFKAAY-MRXNPFEDSA-N 0 0 452.559 4.596 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001447713611 1066845792 /nfs/dbraw/zinc/84/57/92/1066845792.db2.gz QIDXIZZUCXLEBZ-RUZDIDTESA-N 0 0 459.587 4.578 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001447713615 1066845830 /nfs/dbraw/zinc/84/58/30/1066845830.db2.gz QIDXIZZUCXLEBZ-VWLOTQADSA-N 0 0 459.587 4.578 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2CCSCc2ccccc2F)s1 ZINC001492696184 1066846007 /nfs/dbraw/zinc/84/60/07/1066846007.db2.gz XBLCGGLYCVUDBV-UHFFFAOYSA-N 0 0 454.600 4.814 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457508694 1066846506 /nfs/dbraw/zinc/84/65/06/1066846506.db2.gz LCKLSXRMQUEQCT-OAHLLOKOSA-N 0 0 452.942 4.687 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)c1ccc(OC)cc1 ZINC001457508494 1066846535 /nfs/dbraw/zinc/84/65/35/1066846535.db2.gz VUJCFSGXUPANNB-JOCHJYFZSA-N 0 0 456.539 4.825 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC001457508188 1066846699 /nfs/dbraw/zinc/84/66/99/1066846699.db2.gz UMAFHTIQNSXXHU-WOJBJXKFSA-N 0 0 456.612 4.956 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C(F)F)c3)cc2)cc1 ZINC001447722101 1066847009 /nfs/dbraw/zinc/84/70/09/1066847009.db2.gz ZOXYREPNOFIBOP-UHFFFAOYSA-N 0 0 458.486 4.558 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545999661 1066847071 /nfs/dbraw/zinc/84/70/71/1066847071.db2.gz RZGQUWAFQIVBGN-SFTDATJTSA-N 0 0 495.624 4.768 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1 ZINC001447721830 1066847109 /nfs/dbraw/zinc/84/71/09/1066847109.db2.gz UIJGNMYMYQCCRP-UHFFFAOYSA-N 0 0 458.990 4.963 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)s1 ZINC001447724672 1066847602 /nfs/dbraw/zinc/84/76/02/1066847602.db2.gz CLBXXVDMCPMQMM-ZEQKJWHPSA-N 0 0 452.595 4.999 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001457514061 1066847706 /nfs/dbraw/zinc/84/77/06/1066847706.db2.gz BRPQNGKIKNCCIE-FQEVSTJZSA-N 0 0 453.951 4.535 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001457514067 1066847718 /nfs/dbraw/zinc/84/77/18/1066847718.db2.gz BRPQNGKIKNCCIE-HXUWFJFHSA-N 0 0 453.951 4.535 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)s1 ZINC001492696860 1066848308 /nfs/dbraw/zinc/84/83/08/1066848308.db2.gz ZNJALIQACSUVGD-ZZQXMTQJSA-N 0 0 479.647 4.506 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)c(C)c2c1 ZINC001447732211 1066848793 /nfs/dbraw/zinc/84/87/93/1066848793.db2.gz KRUOBRBPPGTCIF-SHQCIBLASA-N 0 0 451.538 4.906 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Oc1ccccc1F ZINC001545999825 1066848885 /nfs/dbraw/zinc/84/88/85/1066848885.db2.gz USSYYQDDZCZTJS-JIPXPUAJSA-N 0 0 481.616 4.902 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC001492697550 1066848925 /nfs/dbraw/zinc/84/89/25/1066848925.db2.gz WMGBNOFYJAGFNI-GOSISDBHSA-N 0 0 474.675 4.984 20 0 JJADRN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001457516860 1066848944 /nfs/dbraw/zinc/84/89/44/1066848944.db2.gz GKXSZCGHZXSWQJ-FZKQIMNGSA-N 0 0 458.552 4.802 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@H](C)Oc4cc(C)ccc43)cc2)cc1 ZINC001457517098 1066849029 /nfs/dbraw/zinc/84/90/29/1066849029.db2.gz FXTKDGIIYBXXMV-IBGZPJMESA-N 0 0 450.560 4.556 20 0 JJADRN CC(C)c1c(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cnn1-c1ccc(F)cc1 ZINC001447736264 1066849572 /nfs/dbraw/zinc/84/95/72/1066849572.db2.gz RKNXHIYULFOUAN-BVAGGSTKSA-N 0 0 453.533 4.778 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001457517522 1066849571 /nfs/dbraw/zinc/84/95/71/1066849571.db2.gz KBHROAAABVNNFW-JOCHJYFZSA-N 0 0 451.325 4.629 20 0 JJADRN COC(=O)Cc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001457517455 1066849691 /nfs/dbraw/zinc/84/96/91/1066849691.db2.gz IXTSHSQLWCIKPO-QFIPXVFZSA-N 0 0 450.922 4.555 20 0 JJADRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC001447740228 1066850308 /nfs/dbraw/zinc/85/03/08/1066850308.db2.gz WXASMBJXAHGXFR-AVRDEDQJSA-N 0 0 459.411 4.532 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001457519619 1066850404 /nfs/dbraw/zinc/85/04/04/1066850404.db2.gz PPEDAKKQIGJXEP-UHFFFAOYSA-N 0 0 452.938 4.615 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)s1 ZINC001492698156 1066850419 /nfs/dbraw/zinc/85/04/19/1066850419.db2.gz OMLHPQOYELOUNX-UHFFFAOYSA-N 0 0 463.945 4.564 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC(C)C)s1 ZINC001492697747 1066850900 /nfs/dbraw/zinc/85/09/00/1066850900.db2.gz CSNDRTMFAHTZDS-UHFFFAOYSA-N 0 0 462.623 4.748 20 0 JJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCOc2ncccc2Cl)cc1 ZINC001457522787 1066851012 /nfs/dbraw/zinc/85/10/12/1066851012.db2.gz KWXQKFKHELOWSN-UHFFFAOYSA-N 0 0 450.901 4.844 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)s2)cc1 ZINC001457522065 1066851021 /nfs/dbraw/zinc/85/10/21/1066851021.db2.gz WUJITPOCHFPQMF-UHFFFAOYSA-N 0 0 450.560 4.784 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2Cc2ncccc2C)s1 ZINC001492698524 1066851784 /nfs/dbraw/zinc/85/17/84/1066851784.db2.gz AIOYZYCIKAGIRR-UHFFFAOYSA-N 0 0 454.987 4.664 20 0 JJADRN CCOC(=O)CN(C(=O)c1cc(-c2ccc(F)cc2)n(C)n1)c1cc(Cl)cc(Cl)c1 ZINC001457527421 1066852311 /nfs/dbraw/zinc/85/23/11/1066852311.db2.gz BEBHPAKJGFZDTB-UHFFFAOYSA-N 0 0 450.297 4.743 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC001492698721 1066852266 /nfs/dbraw/zinc/85/22/66/1066852266.db2.gz JHCSCEXRSYUEQX-UHFFFAOYSA-N 0 0 451.518 4.621 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC3CCCC3)n2CCCCNC(=O)OC(C)(C)C)s1 ZINC001492698606 1066852418 /nfs/dbraw/zinc/85/24/18/1066852418.db2.gz DOAZWCGOCBSXKJ-UHFFFAOYSA-N 0 0 462.664 4.717 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1ncc(Cc2cccc(F)c2)s1)C(F)(F)F ZINC001457528425 1066852420 /nfs/dbraw/zinc/85/24/20/1066852420.db2.gz BXRIFCNGVUSDGF-HXUWFJFHSA-N 0 0 453.461 4.627 20 0 JJADRN CC(C)[C@H]1CN(C(=O)c2oc3ccccc3c2Br)CCN1C(=O)OC(C)(C)C ZINC001447751940 1066852966 /nfs/dbraw/zinc/85/29/66/1066852966.db2.gz HEGANEHTXRMFIQ-OAHLLOKOSA-N 0 0 451.361 4.913 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccccc2)s1 ZINC001492698765 1066853492 /nfs/dbraw/zinc/85/34/92/1066853492.db2.gz KTTWJVIQRARSHA-NHCUHLMSSA-N 0 0 455.628 4.677 20 0 JJADRN O=C(NCCNc1nc2ccccc2s1)c1cc(Br)ccc1Br ZINC001457534384 1066853608 /nfs/dbraw/zinc/85/36/08/1066853608.db2.gz RSUBMVPZOPSDPX-UHFFFAOYSA-N 0 0 455.175 4.663 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2CCCCO2)s1 ZINC001492699133 1066854157 /nfs/dbraw/zinc/85/41/57/1066854157.db2.gz YZIALRBDGRFPLE-CEWLAPEOSA-N 0 0 461.676 4.947 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@@H](C)C2)s1 ZINC001492699103 1066854203 /nfs/dbraw/zinc/85/42/03/1066854203.db2.gz YBDVURQXQHZSNL-XIGKFDRGSA-N 0 0 461.676 4.803 20 0 JJADRN COc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1OCc1ccccc1 ZINC001457537335 1066854398 /nfs/dbraw/zinc/85/43/98/1066854398.db2.gz VPZVNFKYLDKVAU-JOCHJYFZSA-N 0 0 458.558 4.556 20 0 JJADRN CCOCCC1(CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CCCC1 ZINC001457535587 1066854527 /nfs/dbraw/zinc/85/45/27/1066854527.db2.gz IVGPUOCYZUBBNL-HEHNFIMWSA-N 0 0 451.596 4.503 20 0 JJADRN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)c12 ZINC001447755538 1066854419 /nfs/dbraw/zinc/85/44/19/1066854419.db2.gz UDGBNYLVSAIXDL-HXUWFJFHSA-N 0 0 456.587 4.770 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2nccs2)s1 ZINC001492699611 1066854762 /nfs/dbraw/zinc/85/47/62/1066854762.db2.gz NKRMYJCZHGTSLB-MRXNPFEDSA-N 0 0 454.625 4.941 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCCc2ccccc2)s1 ZINC001492699921 1066854963 /nfs/dbraw/zinc/85/49/63/1066854963.db2.gz XWPHMFCOVFOOTB-UHFFFAOYSA-N 0 0 485.455 4.928 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC001447760184 1066855092 /nfs/dbraw/zinc/85/50/92/1066855092.db2.gz HGWXAPFDDPYUPT-ZDUSSCGKSA-N 0 0 457.324 4.715 20 0 JJADRN CCCOc1ccc(CNC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c(OC(F)F)c1 ZINC001457538258 1066855101 /nfs/dbraw/zinc/85/51/01/1066855101.db2.gz FMMJTXBFGRMHNI-UHFFFAOYSA-N 0 0 455.505 4.990 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001492700083 1066855649 /nfs/dbraw/zinc/85/56/49/1066855649.db2.gz CSAMBKSZBGOMKK-QGZVFWFLSA-N 0 0 476.444 4.835 20 0 JJADRN COc1cccc(OC)c1COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001457541120 1066855653 /nfs/dbraw/zinc/85/56/53/1066855653.db2.gz IUMPDEQYBIJQOD-HOYKHHGWSA-N 0 0 451.544 4.911 20 0 JJADRN CC[C@H](NC(=O)c1ccccc1COCc1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457540816 1066855731 /nfs/dbraw/zinc/85/57/31/1066855731.db2.gz LKJWSJQZXLFFIX-NSOVKSMOSA-N 0 0 458.602 4.813 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492700420 1066856160 /nfs/dbraw/zinc/85/61/60/1066856160.db2.gz MBPXKYRFUXBMMO-UHFFFAOYSA-N 0 0 469.920 4.760 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492700269 1066856206 /nfs/dbraw/zinc/85/62/06/1066856206.db2.gz KFEOEJMKFPWISV-RYUDHWBXSA-N 0 0 482.448 4.990 20 0 JJADRN Cc1ccc(C2(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c(O)c3)CCOCC2)cc1C ZINC001447784896 1066856441 /nfs/dbraw/zinc/85/64/41/1066856441.db2.gz HRCNRPYQNKPYHU-UHFFFAOYSA-N 0 0 450.579 4.758 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@@H]2CCOC2)s1 ZINC001492700616 1066856663 /nfs/dbraw/zinc/85/66/63/1066856663.db2.gz PMNFLQVRRVRNOK-IBGZPJMESA-N 0 0 455.628 4.656 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2c(C)nn(C)c2C)s1 ZINC001492700489 1066856690 /nfs/dbraw/zinc/85/66/90/1066856690.db2.gz ODQUZDZNEJHQBK-UHFFFAOYSA-N 0 0 492.472 4.569 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C(C)(C)C1 ZINC001447789122 1066857242 /nfs/dbraw/zinc/85/72/42/1066857242.db2.gz CPDLPBSOLILSCK-KRWDZBQOSA-N 0 0 458.496 4.885 20 0 JJADRN COC(=O)c1csc(NC(=O)CCc2cc(Br)c(Br)s2)c1 ZINC001457560039 1066857780 /nfs/dbraw/zinc/85/77/80/1066857780.db2.gz CVZGJCLLCAVJJH-UHFFFAOYSA-N 0 0 453.177 4.693 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492701370 1066857919 /nfs/dbraw/zinc/85/79/19/1066857919.db2.gz SKNUFHQCFRPXRQ-INIZCTEOSA-N 0 0 468.446 4.793 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CCC(C)C)s1 ZINC001492701347 1066857928 /nfs/dbraw/zinc/85/79/28/1066857928.db2.gz RZHOMLFTIPFWEE-SFHVURJKSA-N 0 0 462.664 4.688 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)c12 ZINC001447792103 1066858384 /nfs/dbraw/zinc/85/83/84/1066858384.db2.gz AWSPYAWWAWHHTC-SPLOXXLWSA-N 0 0 451.420 4.551 20 0 JJADRN C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC001447792174 1066858443 /nfs/dbraw/zinc/85/84/43/1066858443.db2.gz QGBUWOMSFOGDPD-SFHVURJKSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492701505 1066858605 /nfs/dbraw/zinc/85/86/05/1066858605.db2.gz WSRZZJPKKGHJNZ-SJLPKXTDSA-N 0 0 486.642 4.996 20 0 JJADRN CCC1(CC)CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccc(Br)cc21 ZINC001457550387 1066858533 /nfs/dbraw/zinc/85/85/33/1066858533.db2.gz XXPQNQLKVSENGL-SFHVURJKSA-N 0 0 455.396 4.902 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(Br)ncc1Cl ZINC001457549323 1066858543 /nfs/dbraw/zinc/85/85/43/1066858543.db2.gz PEXCNGJXGSPEMG-UHFFFAOYSA-N 0 0 451.727 4.732 20 0 JJADRN Cc1ncc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C(C)C)s1 ZINC001492701585 1066858657 /nfs/dbraw/zinc/85/86/57/1066858657.db2.gz YWQWWNBRSRHCKT-ICSRJNTNSA-N 0 0 474.675 4.831 20 0 JJADRN Cn1nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1NC(=O)OC(C)(C)C ZINC001447792578 1066858976 /nfs/dbraw/zinc/85/89/76/1066858976.db2.gz KGNRURSHNLLDCX-LJQANCHMSA-N 0 0 450.543 4.525 20 0 JJADRN CC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457552417 1066859145 /nfs/dbraw/zinc/85/91/45/1066859145.db2.gz YFVNIKALWPUWNF-PZJWPPBQSA-N 0 0 458.027 4.678 20 0 JJADRN COc1cc(N)c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1Br ZINC001447794726 1066859733 /nfs/dbraw/zinc/85/97/33/1066859733.db2.gz PUBHUSZUCSQARR-IBGZPJMESA-N 0 0 455.356 4.797 20 0 JJADRN Cc1ncc(Cn2c(Nc3ccn(C)n3)nnc2[C@H](C)Oc2c(C)cc(Cl)cc2C)s1 ZINC001492702080 1066859789 /nfs/dbraw/zinc/85/97/89/1066859789.db2.gz RCGADKBAEQMGKK-AWEZNQCLSA-N 0 0 457.991 4.979 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCCc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001457554407 1066859954 /nfs/dbraw/zinc/85/99/54/1066859954.db2.gz YZWCIMNWTLVBKU-VFNWGFHPSA-N 0 0 455.332 4.929 20 0 JJADRN CO[C@H](C(=O)Nc1nnc(SCc2cccs2)s1)c1ccccc1Br ZINC001457555266 1066859974 /nfs/dbraw/zinc/85/99/74/1066859974.db2.gz MVZJHJIDAHUUAX-ZDUSSCGKSA-N 0 0 456.412 4.981 20 0 JJADRN COCCO[C@H]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 ZINC001447799112 1066860287 /nfs/dbraw/zinc/86/02/87/1066860287.db2.gz BXSKDANOOOZIMD-KRWDZBQOSA-N 0 0 452.338 4.515 20 0 JJADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)(C)CC3CCCCCC3)cc(C3CC3)nc21 ZINC001447796865 1066860405 /nfs/dbraw/zinc/86/04/05/1066860405.db2.gz LGQLSXWQVXGNTJ-UHFFFAOYSA-N 0 0 454.615 4.899 20 0 JJADRN O=C(Nc1nnc(SCc2cccs2)s1)C1(C(=O)Nc2c(F)cccc2F)CC1 ZINC001457555348 1066860759 /nfs/dbraw/zinc/86/07/59/1066860759.db2.gz MZYDIMGJFYFVQL-UHFFFAOYSA-N 0 0 452.533 4.528 20 0 JJADRN C[C@H](NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC001457558055 1066860771 /nfs/dbraw/zinc/86/07/71/1066860771.db2.gz QXFLACQKOMPETQ-WNSKOXEYSA-N 0 0 459.443 4.672 20 0 JJADRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001447799343 1066860873 /nfs/dbraw/zinc/86/08/73/1066860873.db2.gz KNFZTQRQJONIOI-WNYOCNMUSA-N 0 0 450.904 4.606 20 0 JJADRN O=C(CCCCOc1ccc(Br)cc1)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001447799728 1066860889 /nfs/dbraw/zinc/86/08/89/1066860889.db2.gz LJKDBMAYIUQMRG-KBXCAEBGSA-N 0 0 452.311 4.598 20 0 JJADRN Cn1c(C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1-c1ccc(Br)cc1 ZINC001447801317 1066860944 /nfs/dbraw/zinc/86/09/44/1066860944.db2.gz LYUZOSZTCZCQTH-KUHUBIRLSA-N 0 0 459.306 4.668 20 0 JJADRN Cc1ncc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CC=CCC2)s1 ZINC001492702699 1066861145 /nfs/dbraw/zinc/86/11/45/1066861145.db2.gz OBPVRZQQSLGQTE-GBESFXJTSA-N 0 0 472.659 4.655 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492702909 1066861273 /nfs/dbraw/zinc/86/12/73/1066861273.db2.gz VZHNURBOUWTIPU-UHFFFAOYSA-N 0 0 494.459 4.684 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCSC(C)(C)C2)s1 ZINC001492702922 1066861277 /nfs/dbraw/zinc/86/12/77/1066861277.db2.gz WHZLYFLXEHYXDN-UHFFFAOYSA-N 0 0 450.033 4.656 20 0 JJADRN CCOC(=O)[C@@H](CC)N(C(=O)CSc1ncnc2scc(-c3ccccc3)c21)C1CC1 ZINC001447801227 1066861412 /nfs/dbraw/zinc/86/14/12/1066861412.db2.gz HZNQTOMKRMAWLH-GOSISDBHSA-N 0 0 455.605 4.783 20 0 JJADRN Cc1nccn1-c1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCOC(C)(C)C)cn1 ZINC001492704118 1066862507 /nfs/dbraw/zinc/86/25/07/1066862507.db2.gz QKUIWPQZRSSGOT-UHFFFAOYSA-N 0 0 480.016 4.787 20 0 JJADRN C[C@H]1CCc2ccccc2N1CCNC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001457564223 1066862640 /nfs/dbraw/zinc/86/26/40/1066862640.db2.gz YWWRHHYOBMDYCI-KRWDZBQOSA-N 0 0 455.624 4.612 20 0 JJADRN O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564265 1066862659 /nfs/dbraw/zinc/86/26/59/1066862659.db2.gz ZEXWFPFNZQJYLY-LJQANCHMSA-N 0 0 457.393 4.746 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)NCCc1ccc(Cl)nc1 ZINC001457563693 1066862787 /nfs/dbraw/zinc/86/27/87/1066862787.db2.gz JJARYIFFSKNNGV-UHFFFAOYSA-N 0 0 452.599 4.613 20 0 JJADRN O=C(NCCc1ccc(Cl)nc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001457563702 1066862850 /nfs/dbraw/zinc/86/28/50/1066862850.db2.gz JLOMYVCGVYZDMF-UHFFFAOYSA-N 0 0 459.859 4.703 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N(C)Cc3cccc(Br)c3OCC(C)(C)O)cc2c1C ZINC001447803575 1066863010 /nfs/dbraw/zinc/86/30/10/1066863010.db2.gz RJRKVRSOJWZLNE-UHFFFAOYSA-N 0 0 459.384 4.969 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC001457565092 1066863424 /nfs/dbraw/zinc/86/34/24/1066863424.db2.gz FPXLTDOJOYLVQB-MHZLTWQESA-N 0 0 452.558 4.643 20 0 JJADRN Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001492704517 1066863431 /nfs/dbraw/zinc/86/34/31/1066863431.db2.gz GBSWDMXJOACGEQ-UHFFFAOYSA-N 0 0 478.685 4.674 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC001457566759 1066863957 /nfs/dbraw/zinc/86/39/57/1066863957.db2.gz MSCFPNHUFZOCDO-UHFFFAOYSA-N 0 0 454.939 4.647 20 0 JJADRN CCCOc1cc(C)ccc1CNC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C ZINC001457565726 1066863974 /nfs/dbraw/zinc/86/39/74/1066863974.db2.gz RDKUTHTYKFNQIC-UHFFFAOYSA-N 0 0 456.583 4.960 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001457566255 1066864112 /nfs/dbraw/zinc/86/41/12/1066864112.db2.gz JZJHUAVKFCEASE-QGZVFWFLSA-N 0 0 450.398 4.854 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492705179 1066864104 /nfs/dbraw/zinc/86/41/04/1066864104.db2.gz XYTSIZCCGKKEAL-QGZVFWFLSA-N 0 0 487.446 4.697 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 ZINC001492705094 1066864116 /nfs/dbraw/zinc/86/41/16/1066864116.db2.gz VXJPAPJVPOUBQO-UHFFFAOYSA-N 0 0 488.459 4.729 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCCC(=O)c1cccc(OC)c1 ZINC001447811894 1066864291 /nfs/dbraw/zinc/86/42/91/1066864291.db2.gz JVDZLZLXCMMZNJ-UHFFFAOYSA-N 0 0 454.567 4.701 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)[C@@H]3C[C@H](C(F)(F)F)CN3C(=O)OC(C)(C)C)cn2)c(C)c1 ZINC001447810190 1066864386 /nfs/dbraw/zinc/86/43/86/1066864386.db2.gz FMIKFSXSINEKCZ-YJBOKZPZSA-N 0 0 452.477 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)ccn2)CC1 ZINC001447810407 1066864395 /nfs/dbraw/zinc/86/43/95/1066864395.db2.gz POXKRZMYEJTZML-NHCUHLMSSA-N 0 0 458.647 4.864 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H](C(C)(C)C)CC3)ccn2)CC1 ZINC001447810410 1066864451 /nfs/dbraw/zinc/86/44/51/1066864451.db2.gz POXKRZMYEJTZML-RTWAWAEBSA-N 0 0 458.647 4.864 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCCO1 ZINC001492705321 1066865020 /nfs/dbraw/zinc/86/50/20/1066865020.db2.gz BVGLMDGAPYXTNC-LJQANCHMSA-N 0 0 460.985 4.728 20 0 JJADRN O=C(c1ccc(Br)c(O)c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001457568943 1066865348 /nfs/dbraw/zinc/86/53/48/1066865348.db2.gz ZWANUUYMFMRQJE-UHFFFAOYSA-N 0 0 450.130 4.597 20 0 JJADRN COc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)c(I)c1 ZINC001457568450 1066865399 /nfs/dbraw/zinc/86/53/99/1066865399.db2.gz UPBYLDPAZRHZAG-UHFFFAOYSA-N 0 0 451.638 4.865 20 0 JJADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC001457569065 1066865875 /nfs/dbraw/zinc/86/58/75/1066865875.db2.gz XFPKPOBLCAMLAH-HXUWFJFHSA-N 0 0 458.396 4.841 20 0 JJADRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(OCCC(C)C)c1 ZINC001457571160 1066866624 /nfs/dbraw/zinc/86/66/24/1066866624.db2.gz FSTCYCJURYXRCU-UHFFFAOYSA-N 0 0 458.549 4.867 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)nc3C)[C@H]2c2ccccc2OC)cc1 ZINC001457570171 1066866692 /nfs/dbraw/zinc/86/66/92/1066866692.db2.gz DQOKGAXHEIEPMA-ATIYNZHBSA-N 0 0 459.546 4.839 20 0 JJADRN C[C@H](OC(=O)c1cc(I)ccc1F)c1c(F)cccc1-n1cccn1 ZINC001457570716 1066866698 /nfs/dbraw/zinc/86/66/98/1066866698.db2.gz CGHONNVFKJVKSD-NSHDSACASA-N 0 0 454.214 4.673 20 0 JJADRN CN(CCOCC1CC1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC001457570876 1066866779 /nfs/dbraw/zinc/86/67/79/1066866779.db2.gz DMQBCPHUQOBDQN-UHFFFAOYSA-N 0 0 456.999 4.565 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOC(C)(C)C ZINC001492705971 1066866791 /nfs/dbraw/zinc/86/67/91/1066866791.db2.gz YHBNWLVRUJDPHV-UHFFFAOYSA-N 0 0 463.001 4.974 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 ZINC001492706038 1066866924 /nfs/dbraw/zinc/86/69/24/1066866924.db2.gz ZYVIBCRSHIMLJZ-UHFFFAOYSA-N 0 0 453.953 4.754 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)ccc1Br ZINC001447835571 1066867035 /nfs/dbraw/zinc/86/70/35/1066867035.db2.gz ITXZCZSICLNOPI-UHFFFAOYSA-N 0 0 450.292 4.827 20 0 JJADRN CNc1ncc(C(=O)N2CCCC[C@@H]2[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)s1 ZINC001447841313 1066867678 /nfs/dbraw/zinc/86/76/78/1066867678.db2.gz SMTNNCSXNHMWHQ-RBUKOAKNSA-N 0 0 458.628 4.563 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492706090 1066867740 /nfs/dbraw/zinc/86/77/40/1066867740.db2.gz BYABQBMGHBMHAH-UHFFFAOYSA-N 0 0 484.620 4.765 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cnc(Cl)c(Br)c1 ZINC001457572914 1066867790 /nfs/dbraw/zinc/86/77/90/1066867790.db2.gz HPXJQNLHUBJRCH-GOSISDBHSA-N 0 0 458.743 4.997 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706828 1066868920 /nfs/dbraw/zinc/86/89/20/1066868920.db2.gz BILIZPFSUJFGHJ-INIZCTEOSA-N 0 0 474.451 4.514 20 0 JJADRN COCc1[nH]nc(NC(=O)Cc2cc(Br)ccc2F)c1-c1ccc(Cl)cc1 ZINC001457576105 1066868943 /nfs/dbraw/zinc/86/89/43/1066868943.db2.gz QTMFNHARAXHRHT-UHFFFAOYSA-N 0 0 452.711 4.959 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccn(C)c2c1 ZINC001447845636 1066869168 /nfs/dbraw/zinc/86/91/68/1066869168.db2.gz VWOBDUHGIHFEEW-SFHVURJKSA-N 0 0 450.391 4.975 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cccc(Nc2nccc(C)n2)c1)c1ccc(Cl)c(Cl)c1 ZINC001447850093 1066869735 /nfs/dbraw/zinc/86/97/35/1066869735.db2.gz AYSOJFGGQQORAE-JOCHJYFZSA-N 0 0 459.333 4.654 20 0 JJADRN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1coc(Sc2ncccn2)n1 ZINC001447848909 1066869743 /nfs/dbraw/zinc/86/97/43/1066869743.db2.gz URZXTUGRRBJWNU-MRXNPFEDSA-N 0 0 459.369 4.520 20 0 JJADRN Cc1c(C(=O)Nc2ccc(Cl)cc2I)cnn1-c1ccccc1F ZINC001457578678 1066869782 /nfs/dbraw/zinc/86/97/82/1066869782.db2.gz VUPAOAMAEBDFDO-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN COc1ccc(CCCNC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)cc1OC ZINC001457577597 1066869821 /nfs/dbraw/zinc/86/98/21/1066869821.db2.gz PZUNZTJAUKCJEW-UHFFFAOYSA-N 0 0 458.514 4.700 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)CC1 ZINC001492707053 1066869944 /nfs/dbraw/zinc/86/99/44/1066869944.db2.gz JRTXVCMVTGTXCD-UHFFFAOYSA-N 0 0 483.336 4.677 20 0 JJADRN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492707143 1066870203 /nfs/dbraw/zinc/87/02/03/1066870203.db2.gz MMVKZXVCXHPOCI-UHFFFAOYSA-N 0 0 486.462 4.824 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(Cl)cc1I)C(C)(C)C ZINC001457578808 1066870231 /nfs/dbraw/zinc/87/02/31/1066870231.db2.gz XZISMPMXTPZBSD-ZDUSSCGKSA-N 0 0 451.732 4.887 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC001447861530 1066870756 /nfs/dbraw/zinc/87/07/56/1066870756.db2.gz BUMGSHMVNVJUSE-OAHLLOKOSA-N 0 0 458.340 4.574 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@H](C)c1c(F)cccc1-n1cccn1 ZINC001457582310 1066870850 /nfs/dbraw/zinc/87/08/50/1066870850.db2.gz XKVHCYGAIZVDPJ-MRXNPFEDSA-N 0 0 450.466 4.672 20 0 JJADRN O=C(c1ccc(Oc2ccccc2)cn1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001447862708 1066870775 /nfs/dbraw/zinc/87/07/75/1066870775.db2.gz SLFQBUYGUUPFRE-OAQYLSRUSA-N 0 0 457.299 4.989 20 0 JJADRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4cc(Br)ccc4c3)CC2=O)cc1 ZINC001457584880 1066871394 /nfs/dbraw/zinc/87/13/94/1066871394.db2.gz JYOUZHGGDDHPIY-QGZVFWFLSA-N 0 0 453.336 4.993 20 0 JJADRN CC[C@H](C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001457583991 1066871482 /nfs/dbraw/zinc/87/14/82/1066871482.db2.gz MVIJTRIMIBPIJY-NRFANRHFSA-N 0 0 453.936 4.791 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001457585397 1066871496 /nfs/dbraw/zinc/87/14/96/1066871496.db2.gz RMFHIDFQVPJRNT-JCGIZDLHSA-N 0 0 459.978 4.879 20 0 JJADRN CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)CSc2ccc(C)cc2)C1(C)C ZINC001447864891 1066871516 /nfs/dbraw/zinc/87/15/16/1066871516.db2.gz GRIGUXXGZFUKOQ-RGZWJVDOSA-N 0 0 450.645 4.690 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 ZINC001492708017 1066871644 /nfs/dbraw/zinc/87/16/44/1066871644.db2.gz NJBDZXBVYZSAAW-UHFFFAOYSA-N 0 0 454.594 4.711 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H](O)c2cccc(Br)c2)c2ccccc2N1Cc1ccccc1 ZINC001447869444 1066872305 /nfs/dbraw/zinc/87/23/05/1066872305.db2.gz IFKJBCSAFJUNQA-HXOBKFHXSA-N 0 0 451.364 4.924 20 0 JJADRN O=C(CCCOc1ccc(F)cc1F)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001447867031 1066872352 /nfs/dbraw/zinc/87/23/52/1066872352.db2.gz ZJSNRRVLAVOJQG-LJQANCHMSA-N 0 0 458.274 4.626 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO ZINC001457589618 1066872638 /nfs/dbraw/zinc/87/26/38/1066872638.db2.gz CUNRNIABGZFHDQ-UHFFFAOYSA-N 0 0 452.711 4.658 20 0 JJADRN O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1cccc(Br)c1Cl ZINC001457589912 1066872664 /nfs/dbraw/zinc/87/26/64/1066872664.db2.gz DSWYXMUUHBQDQK-UHFFFAOYSA-N 0 0 455.139 4.864 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC001457590003 1066872912 /nfs/dbraw/zinc/87/29/12/1066872912.db2.gz DKZWWJNOOAJVSH-VGSWGCGISA-N 0 0 458.514 4.899 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001492709220 1066873106 /nfs/dbraw/zinc/87/31/06/1066873106.db2.gz BZYFLMAGSBQLRZ-DOTOQJQBSA-N 0 0 466.483 4.541 20 0 JJADRN Cc1nccn1CCCn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001492708947 1066873113 /nfs/dbraw/zinc/87/31/13/1066873113.db2.gz QYSFEYLHCQQDGF-UHFFFAOYSA-N 0 0 460.548 4.827 20 0 JJADRN Cc1ccc(SC[C@H](C)NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)cc1 ZINC001447876326 1066873209 /nfs/dbraw/zinc/87/32/09/1066873209.db2.gz ZQHYOGAMTNUSNZ-INIZCTEOSA-N 0 0 455.605 4.557 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC001546001145 1066873375 /nfs/dbraw/zinc/87/33/75/1066873375.db2.gz HUCRFUKLRUMFGM-LADGPHEKSA-N 0 0 488.680 4.835 20 0 JJADRN CCCCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001457594598 1066874027 /nfs/dbraw/zinc/87/40/27/1066874027.db2.gz PBAMHBNJAWLBIY-JXFKEZNVSA-N 0 0 456.530 4.810 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(Nc2ccccc2OC)cc1)c1ccc(OC)c(Cl)c1 ZINC001447903712 1066874680 /nfs/dbraw/zinc/87/46/80/1066874680.db2.gz KGNJIAANXVAELO-QFIPXVFZSA-N 0 0 454.910 4.745 20 0 JJADRN Cc1ccc(I)cc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001457596711 1066874676 /nfs/dbraw/zinc/87/46/76/1066874676.db2.gz UVHMDNLMINDBFH-UHFFFAOYSA-N 0 0 456.736 4.835 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCCC1 ZINC001492710370 1066875125 /nfs/dbraw/zinc/87/51/25/1066875125.db2.gz MVFHWRKWJYVXQK-UHFFFAOYSA-N 0 0 461.383 4.678 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)s2)nnc1N(CCC(C)C)C1CC1 ZINC001492710637 1066875845 /nfs/dbraw/zinc/87/58/45/1066875845.db2.gz WTLOQMWESBIHIX-UHFFFAOYSA-N 0 0 463.449 4.989 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447915129 1066875974 /nfs/dbraw/zinc/87/59/74/1066875974.db2.gz BWSVDLOWEOYABQ-RUZDIDTESA-N 0 0 453.542 4.746 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001492710718 1066876114 /nfs/dbraw/zinc/87/61/14/1066876114.db2.gz ZUWCKDXMVONYDE-HSZRJFAPSA-N 0 0 460.985 4.584 20 0 JJADRN CC(C)(C)OC(=O)NOCC(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC001457606140 1066876578 /nfs/dbraw/zinc/87/65/78/1066876578.db2.gz KSCQYEHMRVCNNZ-UHFFFAOYSA-N 0 0 455.536 4.784 20 0 JJADRN Cc1nn(-c2ccc(C(=O)Nc3cccn(Cc4ccc(F)cc4)c3=O)cc2)c(C)c1Cl ZINC001457606095 1066876731 /nfs/dbraw/zinc/87/67/31/1066876731.db2.gz JTUXISLHMLQLBS-UHFFFAOYSA-N 0 0 450.901 4.744 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC001457605757 1066876831 /nfs/dbraw/zinc/87/68/31/1066876831.db2.gz ISJMNLPGRIMBIC-LJQANCHMSA-N 0 0 454.361 4.653 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccccc2F)C2CCCC2)c1 ZINC001457605755 1066876844 /nfs/dbraw/zinc/87/68/44/1066876844.db2.gz ISJMNLPGRIMBIC-IBGZPJMESA-N 0 0 454.361 4.653 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447918650 1066876671 /nfs/dbraw/zinc/87/66/71/1066876671.db2.gz LBGUQLDVDBYMGJ-NRFANRHFSA-N 0 0 455.913 4.891 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC[C@@H]1C1CC1 ZINC001447918761 1066876751 /nfs/dbraw/zinc/87/67/51/1066876751.db2.gz ZXNQWJMRXVAPDJ-RTBURBONSA-N 0 0 453.505 4.681 20 0 JJADRN CCc1nc2ccccc2n1CCC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447921437 1066876884 /nfs/dbraw/zinc/87/68/84/1066876884.db2.gz QTNUYFDTPXBDJZ-HSZRJFAPSA-N 0 0 455.558 4.632 20 0 JJADRN O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC001457609565 1066877232 /nfs/dbraw/zinc/87/72/32/1066877232.db2.gz UPXQSYIIJIGSMC-UHFFFAOYSA-N 0 0 453.376 4.969 20 0 JJADRN Cc1nccn1CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001492711989 1066877741 /nfs/dbraw/zinc/87/77/41/1066877741.db2.gz OLNQAEPIVTZSPN-IBGZPJMESA-N 0 0 485.430 4.617 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492712855 1066878470 /nfs/dbraw/zinc/87/84/70/1066878470.db2.gz PRASZTGSCRSEGC-INIZCTEOSA-N 0 0 478.494 4.677 20 0 JJADRN Cc1nccnc1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492712856 1066878581 /nfs/dbraw/zinc/87/85/81/1066878581.db2.gz PRASZTGSCRSEGC-MRXNPFEDSA-N 0 0 478.494 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)no2)C1 ZINC001457612500 1066878592 /nfs/dbraw/zinc/87/85/92/1066878592.db2.gz AMPUKMCTFSWCLZ-AFMDSPMNSA-N 0 0 469.582 4.851 20 0 JJADRN Cc1ccc(-c2ocnc2C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC001447939798 1066878667 /nfs/dbraw/zinc/87/86/67/1066878667.db2.gz NGJIDOPHMFEQMJ-UHFFFAOYSA-N 0 0 457.452 4.703 20 0 JJADRN CN(C(=O)c1csc(Cc2ccccc2F)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447938842 1066878689 /nfs/dbraw/zinc/87/86/89/1066878689.db2.gz FFINXFMYFCWTDU-QUCCMNQESA-N 0 0 451.350 4.910 20 0 JJADRN CN(C(=O)c1csc(Cc2ccccc2F)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447938840 1066878710 /nfs/dbraw/zinc/87/87/10/1066878710.db2.gz FFINXFMYFCWTDU-ICSRJNTNSA-N 0 0 451.350 4.910 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1-n1cccc1 ZINC001447938582 1066878749 /nfs/dbraw/zinc/87/87/49/1066878749.db2.gz KDDBFFFVOJQNKV-UHFFFAOYSA-N 0 0 455.480 4.839 20 0 JJADRN Cc1noc(C)c1-c1nc(C)c(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 ZINC001447938786 1066878826 /nfs/dbraw/zinc/87/88/26/1066878826.db2.gz DUPMYVCYOIZMRJ-RDJZCZTQSA-N 0 0 452.363 4.760 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001492713405 1066878966 /nfs/dbraw/zinc/87/89/66/1066878966.db2.gz ITRMATKEKGCNNT-ZIAGYGMSSA-N 0 0 491.434 4.518 20 0 JJADRN COC(=O)CCCc1csc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n1 ZINC001457615779 1066879850 /nfs/dbraw/zinc/87/98/50/1066879850.db2.gz SKHREZUMUQWGAB-UHFFFAOYSA-N 0 0 453.351 4.692 20 0 JJADRN CCn1cc(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)c2ccccc21 ZINC001457615554 1066879859 /nfs/dbraw/zinc/87/98/59/1066879859.db2.gz NUTGOVWPVNLVBH-UHFFFAOYSA-N 0 0 456.287 4.908 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001447947420 1066879917 /nfs/dbraw/zinc/87/99/17/1066879917.db2.gz SFQYLVXFFKCBDL-UHFFFAOYSA-N 0 0 458.530 4.519 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C ZINC001492713751 1066880129 /nfs/dbraw/zinc/88/01/29/1066880129.db2.gz UTMFSNOTYZWHIJ-OAHLLOKOSA-N 0 0 461.397 4.597 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)s1 ZINC001492713732 1066880282 /nfs/dbraw/zinc/88/02/82/1066880282.db2.gz UENYNFIEHZNPAA-UHFFFAOYSA-N 0 0 487.402 4.886 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001457618104 1066880281 /nfs/dbraw/zinc/88/02/81/1066880281.db2.gz KGWRSYBQJSZXNN-LJQANCHMSA-N 0 0 455.711 4.792 20 0 JJADRN C[C@@H](CNC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)N1CCCCC1=O ZINC001447948728 1066880358 /nfs/dbraw/zinc/88/03/58/1066880358.db2.gz BQQKQTDZYDGAEL-HNNXBMFYSA-N 0 0 459.377 4.527 20 0 JJADRN Cc1nccnc1CCn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Cl)cc1 ZINC001492714353 1066880808 /nfs/dbraw/zinc/88/08/08/1066880808.db2.gz HPGXYUBOCDGTJU-UHFFFAOYSA-N 0 0 453.015 4.604 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccsc1 ZINC001492714269 1066880832 /nfs/dbraw/zinc/88/08/32/1066880832.db2.gz GHBHPYMIGOWLJX-UHFFFAOYSA-N 0 0 454.987 4.550 20 0 JJADRN Cc1nccnc1CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001492713883 1066880861 /nfs/dbraw/zinc/88/08/61/1066880861.db2.gz ZEFXSALSRVEXBB-HOTGVXAUSA-N 0 0 455.404 4.674 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC2(C1)CCCCC2)NC(=O)OC(C)(C)C ZINC001546001511 1066881209 /nfs/dbraw/zinc/88/12/09/1066881209.db2.gz OIYBGJRYIMYAIU-OAQYLSRUSA-N 0 0 468.646 4.728 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(C)(C)Cc2ccc(Br)cc2)C1 ZINC001447953087 1066881219 /nfs/dbraw/zinc/88/12/19/1066881219.db2.gz AYVOXDPBUYIHRS-MSOLQXFVSA-N 0 0 453.421 4.970 20 0 JJADRN C[C@H](CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)N1CCCCC1=O ZINC001447952887 1066881243 /nfs/dbraw/zinc/88/12/43/1066881243.db2.gz LJABMSMBDXFGJL-CYBMUJFWSA-N 0 0 454.423 4.912 20 0 JJADRN Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001492714625 1066881412 /nfs/dbraw/zinc/88/14/12/1066881412.db2.gz KMKHOKCTNKGRJI-RDGATRHJSA-N 0 0 462.642 4.812 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c2)no1 ZINC001447955882 1066881652 /nfs/dbraw/zinc/88/16/52/1066881652.db2.gz GVFYVOURSZWDKS-RBUKOAKNSA-N 0 0 456.587 4.891 20 0 JJADRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c2)no1 ZINC001447955888 1066881750 /nfs/dbraw/zinc/88/17/50/1066881750.db2.gz GVFYVOURSZWDKS-RTBURBONSA-N 0 0 456.587 4.891 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1nc2cc(Cl)ccc2s1 ZINC001492716270 1066881862 /nfs/dbraw/zinc/88/18/62/1066881862.db2.gz DLGHIBQGKZYDQQ-UHFFFAOYSA-N 0 0 458.035 4.874 20 0 JJADRN Cc1ccc(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)c(OC[C@@H]2CCOC2)c1 ZINC001457620274 1066882294 /nfs/dbraw/zinc/88/22/94/1066882294.db2.gz DCKGNUMTYUSXFI-MRXNPFEDSA-N 0 0 457.368 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)on2)CC1 ZINC001447956370 1066882170 /nfs/dbraw/zinc/88/21/70/1066882170.db2.gz FWTPBGSBPIHCBR-PZJWPPBQSA-N 0 0 453.583 4.930 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(F)cc(F)c1 ZINC001492716905 1066882694 /nfs/dbraw/zinc/88/26/94/1066882694.db2.gz CEVWHPOZXGGTRR-UHFFFAOYSA-N 0 0 471.943 4.501 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001457621313 1066882741 /nfs/dbraw/zinc/88/27/41/1066882741.db2.gz GVNPIGCONXZMBC-QGHHPUGFSA-N 0 0 457.702 4.621 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Br)c2)n1CC1CC(F)(F)C1 ZINC001492716979 1066883284 /nfs/dbraw/zinc/88/32/84/1066883284.db2.gz FUWKGNJWGWBTOL-UHFFFAOYSA-N 0 0 479.373 4.740 20 0 JJADRN O=C(Nc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1-n1cncn1 ZINC001457622533 1066883205 /nfs/dbraw/zinc/88/32/05/1066883205.db2.gz VFCJCVWBCLRZEU-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN COCc1nc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)c(-c2ccccc2)s1 ZINC001457622386 1066883325 /nfs/dbraw/zinc/88/33/25/1066883325.db2.gz IPUYAHONBWUVME-GOSISDBHSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(Br)cc3cccnc32)c(OC[C@H]2CCOC2)c1 ZINC001457623571 1066883949 /nfs/dbraw/zinc/88/39/49/1066883949.db2.gz JWVYJJAGFIKPBZ-INIZCTEOSA-N 0 0 455.352 4.651 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1C[C@H](F)C1 ZINC001492717137 1066883910 /nfs/dbraw/zinc/88/39/10/1066883910.db2.gz KQGJRQPRGOGSQJ-JCNLHEQBSA-N 0 0 493.400 4.972 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCSC2(CCOCC2)C1 ZINC001447963022 1066883856 /nfs/dbraw/zinc/88/38/56/1066883856.db2.gz LNPKOTZCBKRTEG-UHFFFAOYSA-N 0 0 451.013 4.700 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCC(C)C)CCO1 ZINC001546092969 1066884951 /nfs/dbraw/zinc/88/49/51/1066884951.db2.gz IDBNEBRTYOXJIJ-CPJSRVTESA-N 0 0 495.734 4.787 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCC(C)C)CCO1 ZINC001546092971 1066885022 /nfs/dbraw/zinc/88/50/22/1066885022.db2.gz IDBNEBRTYOXJIJ-NLFFAJNJSA-N 0 0 495.734 4.787 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 ZINC001492717843 1066885347 /nfs/dbraw/zinc/88/53/47/1066885347.db2.gz YHCVCCJDYSIJJZ-QHCPKHFHSA-N 0 0 471.030 4.554 20 0 JJADRN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccc(-c2ccc(Br)s2)s1 ZINC001457630237 1066885465 /nfs/dbraw/zinc/88/54/65/1066885465.db2.gz UCBWVUYCLMJRNQ-UHFFFAOYSA-N 0 0 454.392 4.821 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001447971995 1066885526 /nfs/dbraw/zinc/88/55/26/1066885526.db2.gz PHEROCNHEXNDES-FQEVSTJZSA-N 0 0 459.428 4.956 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c2C2CC2)cc1Cl ZINC001447972576 1066885580 /nfs/dbraw/zinc/88/55/80/1066885580.db2.gz YLCDABBXNWRROL-INIZCTEOSA-N 0 0 458.990 4.793 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001447971509 1066885622 /nfs/dbraw/zinc/88/56/22/1066885622.db2.gz LOUVZBAWNJYXOF-VWPQPMDRSA-N 0 0 452.599 4.885 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1 ZINC001492717958 1066885911 /nfs/dbraw/zinc/88/59/11/1066885911.db2.gz YOKIGPIEABZBLA-RBUKOAKNSA-N 0 0 472.634 4.830 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1Cc1cnn(CC(C)C)c1C ZINC001492718219 1066886586 /nfs/dbraw/zinc/88/65/86/1066886586.db2.gz WTFBWNQXXLQZMO-UHFFFAOYSA-N 0 0 481.048 4.794 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CCc2ccccc2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001492718320 1066886620 /nfs/dbraw/zinc/88/66/20/1066886620.db2.gz APGFMVUKQUQDKH-CPJSRVTESA-N 0 0 464.658 4.645 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccncc1Cl ZINC001492718214 1066886675 /nfs/dbraw/zinc/88/66/75/1066886675.db2.gz WPSXYWYMQQBIMY-UHFFFAOYSA-N 0 0 456.381 4.682 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cnn(-c2ccc(Br)cc2)n1 ZINC001457631664 1066886843 /nfs/dbraw/zinc/88/68/43/1066886843.db2.gz FIJFTHLZLQNKQW-NRFANRHFSA-N 0 0 451.299 4.688 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1 ZINC001492718524 1066887168 /nfs/dbraw/zinc/88/71/68/1066887168.db2.gz IXZKWMZLNGZCCK-FQEVSTJZSA-N 0 0 459.063 4.795 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1C[C@H](c1cccnc1)C(C)C ZINC001492718291 1066887181 /nfs/dbraw/zinc/88/71/81/1066887181.db2.gz ZSMXAIFJPUEALZ-QFIPXVFZSA-N 0 0 461.589 4.906 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCS1 ZINC001492718525 1066887200 /nfs/dbraw/zinc/88/72/00/1066887200.db2.gz IXZKWMZLNGZCCK-HXUWFJFHSA-N 0 0 459.063 4.795 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1Cc1ccccc1OC(C)C ZINC001492718572 1066887385 /nfs/dbraw/zinc/88/73/85/1066887385.db2.gz KHNPQFKHDSJKQT-UHFFFAOYSA-N 0 0 450.631 4.833 20 0 JJADRN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001447978857 1066887463 /nfs/dbraw/zinc/88/74/63/1066887463.db2.gz AHWLLEHOQVNBHN-JWGURIENSA-N 0 0 454.592 4.587 20 0 JJADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1 ZINC001457632301 1066887355 /nfs/dbraw/zinc/88/73/55/1066887355.db2.gz NJMPUJUSELZJMA-WJOKGBTCSA-N 0 0 456.637 4.618 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1 ZINC001457632569 1066887383 /nfs/dbraw/zinc/88/73/83/1066887383.db2.gz CTEDNTSEENFEPT-AWEZNQCLSA-N 0 0 455.393 4.660 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001457632830 1066887469 /nfs/dbraw/zinc/88/74/69/1066887469.db2.gz JGAKXMVNOQIBBE-IBGZPJMESA-N 0 0 455.287 4.698 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 ZINC001457633726 1066887950 /nfs/dbraw/zinc/88/79/50/1066887950.db2.gz FEGZYHAMWVBUIN-UHFFFAOYSA-N 0 0 451.470 4.896 20 0 JJADRN Cc1nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c2ccccn12 ZINC001447982263 1066888022 /nfs/dbraw/zinc/88/80/22/1066888022.db2.gz KYNWVDGFVICVST-JOCHJYFZSA-N 0 0 451.473 4.620 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001457633550 1066888066 /nfs/dbraw/zinc/88/80/66/1066888066.db2.gz MKVPPMXVDGGBGO-OAQYLSRUSA-N 0 0 457.288 4.634 20 0 JJADRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001447983084 1066888137 /nfs/dbraw/zinc/88/81/37/1066888137.db2.gz QDNOILAZJIYZIW-UHFFFAOYSA-N 0 0 453.583 4.763 20 0 JJADRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC001447986188 1066888510 /nfs/dbraw/zinc/88/85/10/1066888510.db2.gz IJDLLNVOXDUSJI-DFQSSKMNSA-N 0 0 456.633 4.857 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2ccccc2[C@H]1C)NC(=O)OC(C)(C)C ZINC001546002019 1066888574 /nfs/dbraw/zinc/88/85/74/1066888574.db2.gz YGAPZYLFVDENGF-KNQAVFIVSA-N 0 0 476.625 4.691 20 0 JJADRN CN1CCN([C@@H](C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)c2ccccc2)CC1 ZINC001457637125 1066888565 /nfs/dbraw/zinc/88/85/65/1066888565.db2.gz WMGOVGMIVLWLNK-RUZDIDTESA-N 0 0 451.973 4.751 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(C2CCCC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001492719710 1066888917 /nfs/dbraw/zinc/88/89/17/1066888917.db2.gz SYNZKWCRDZMIBB-UHFFFAOYSA-N 0 0 476.547 4.912 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC001457637553 1066889080 /nfs/dbraw/zinc/88/90/80/1066889080.db2.gz YLUCOZVJEXPNLS-OAHLLOKOSA-N 0 0 459.955 4.856 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001492720227 1066889513 /nfs/dbraw/zinc/88/95/13/1066889513.db2.gz IYTLVNUNUZWAOW-RYQLBKOJSA-N 0 0 475.062 4.800 20 0 JJADRN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001457640763 1066889759 /nfs/dbraw/zinc/88/97/59/1066889759.db2.gz UFNNSWAONMLLCG-SIKLNZKXSA-N 0 0 453.311 4.920 20 0 JJADRN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001457643997 1066889775 /nfs/dbraw/zinc/88/97/75/1066889775.db2.gz LWMXCMBOBCTHHD-UHFFFAOYSA-N 0 0 455.518 4.811 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492720443 1066890081 /nfs/dbraw/zinc/89/00/81/1066890081.db2.gz PAWSGEJPJVATNM-AVRDEDQJSA-N 0 0 487.048 4.721 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)(C)C)c3O)CC2)cc1 ZINC001448011397 1066890010 /nfs/dbraw/zinc/89/00/10/1066890010.db2.gz DCWCEOJYSMCPDA-UHFFFAOYSA-N 0 0 458.624 4.853 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H]1C ZINC001492720528 1066890464 /nfs/dbraw/zinc/89/04/64/1066890464.db2.gz RFFFZGDJACNAPP-QFBILLFUSA-N 0 0 457.022 4.933 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3c(CC)nc4ccccc43)C2)cc1 ZINC001448014721 1066890527 /nfs/dbraw/zinc/89/05/27/1066890527.db2.gz FXXFTOYNMBHPAZ-FQEVSTJZSA-N 0 0 453.608 4.650 20 0 JJADRN CN(CC1(O)CCCCCC1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001448019836 1066890547 /nfs/dbraw/zinc/89/05/47/1066890547.db2.gz ANJISAHWIRDDCY-UHFFFAOYSA-N 0 0 459.384 4.859 20 0 JJADRN COc1ccc([C@H](NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c2ccccc2OC)cc1 ZINC001546002201 1066890615 /nfs/dbraw/zinc/89/06/15/1066890615.db2.gz CLEKVKVNSCWKNI-SWHJIRTISA-N 0 0 468.594 4.993 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1[nH]c2ccccc2c1Br ZINC001448018377 1066890635 /nfs/dbraw/zinc/89/06/35/1066890635.db2.gz FLIASYBOMJGHLJ-GFCCVEGCSA-N 0 0 452.274 4.958 20 0 JJADRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(Br)cnc1Br ZINC001457654865 1066891018 /nfs/dbraw/zinc/89/10/18/1066891018.db2.gz GCZWQKNHALGXQQ-UHFFFAOYSA-N 0 0 455.131 4.688 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001492720904 1066891412 /nfs/dbraw/zinc/89/14/12/1066891412.db2.gz FJQXFPQULVKKKM-HUUCEWRRSA-N 0 0 457.420 4.731 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001492720911 1066891513 /nfs/dbraw/zinc/89/15/13/1066891513.db2.gz FPMOCPXFJGJTOH-HXUWFJFHSA-N 0 0 489.487 4.684 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)cc1 ZINC001457660107 1066891431 /nfs/dbraw/zinc/89/14/31/1066891431.db2.gz FZNZRBPZXVFFQZ-DEOSSOPVSA-N 0 0 451.588 4.712 20 0 JJADRN CCOc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccccc31)CCO2 ZINC001448023625 1066891462 /nfs/dbraw/zinc/89/14/62/1066891462.db2.gz GJGWDJBZOSORLH-YADHBBJMSA-N 0 0 452.551 4.560 20 0 JJADRN CCS(=O)(=O)c1ccc(F)c(C(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)c1 ZINC001457660831 1066892082 /nfs/dbraw/zinc/89/20/82/1066892082.db2.gz HPMZQPNPHFUOTR-DEOSSOPVSA-N 0 0 459.583 4.775 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C12CCC2 ZINC001457660251 1066892096 /nfs/dbraw/zinc/89/20/96/1066892096.db2.gz YFLLFJDLOQQBGY-PWIZWCRZSA-N 0 0 453.410 4.652 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCCC1 ZINC001492721042 1066892238 /nfs/dbraw/zinc/89/22/38/1066892238.db2.gz JTBBFTRKKBXICS-UHFFFAOYSA-N 0 0 475.410 4.872 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@H]1Cc3c(cccc3C)N1C(=O)OC(C)(C)C)CCO2 ZINC001448033233 1066892863 /nfs/dbraw/zinc/89/28/63/1066892863.db2.gz XAAGEPWKMSOPSP-IFMALSPDSA-N 0 0 452.551 4.700 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1)C(=O)OC(C)(C)C ZINC001457665460 1066893349 /nfs/dbraw/zinc/89/33/49/1066893349.db2.gz OSMNPKRBGRTHFL-NNMXDRDESA-N 0 0 456.608 4.777 20 0 JJADRN CC[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)C(=O)OC(C)(C)C ZINC001457667017 1066893718 /nfs/dbraw/zinc/89/37/18/1066893718.db2.gz VNTSVXYVSAXWTN-OAHLLOKOSA-N 0 0 451.386 4.845 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccsc1 ZINC001492722695 1066893864 /nfs/dbraw/zinc/89/38/64/1066893864.db2.gz MEAMWWAEVDCAIA-UHFFFAOYSA-N 0 0 457.003 4.607 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001448053720 1066894070 /nfs/dbraw/zinc/89/40/70/1066894070.db2.gz YGQJRAKAXGCQIN-RUZDIDTESA-N 0 0 454.526 4.820 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC(C)C)CC1 ZINC001492723039 1066894456 /nfs/dbraw/zinc/89/44/56/1066894456.db2.gz YPQIEWCZLHUPSK-UHFFFAOYSA-N 0 0 494.684 4.947 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(CC2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492722870 1066894463 /nfs/dbraw/zinc/89/44/63/1066894463.db2.gz SSWRQFPFVIGWSF-SFHVURJKSA-N 0 0 499.704 4.539 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 ZINC001492722927 1066894469 /nfs/dbraw/zinc/89/44/69/1066894469.db2.gz VDCKTMHHICSXPQ-UHFFFAOYSA-N 0 0 493.681 4.689 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492723649 1066894823 /nfs/dbraw/zinc/89/48/23/1066894823.db2.gz WJSTYRYEDPJFOU-YLJYHZDGSA-N 0 0 477.078 4.947 20 0 JJADRN CO[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1cccc(Cl)c1 ZINC001457671677 1066894987 /nfs/dbraw/zinc/89/49/87/1066894987.db2.gz PLHPLXSXJNXODK-GBXCKJPGSA-N 0 0 450.966 4.849 20 0 JJADRN Cc1cc(Cn2c(-c3cccc(Br)c3)nnc2N2CC=C(C(C)(C)C)CC2)n(C)n1 ZINC001492723942 1066894948 /nfs/dbraw/zinc/89/49/48/1066894948.db2.gz GQQWYMIIFRUZAW-UHFFFAOYSA-N 0 0 469.431 4.980 20 0 JJADRN Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(C)C)CC1 ZINC001492723443 1066894959 /nfs/dbraw/zinc/89/49/59/1066894959.db2.gz NUTJOCGZSCOPJG-UHFFFAOYSA-N 0 0 470.065 4.707 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001448062162 1066895306 /nfs/dbraw/zinc/89/53/06/1066895306.db2.gz ACDLQSDNAGHSGA-RTWAWAEBSA-N 0 0 456.631 4.852 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCC(F)(F)F)CC2CC2)n(C)n1 ZINC001492724702 1066895427 /nfs/dbraw/zinc/89/54/27/1066895427.db2.gz IKMQDPKPTCYVBA-UHFFFAOYSA-N 0 0 470.902 4.997 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C(C)C)CC2)n(C)n1 ZINC001492724543 1066895517 /nfs/dbraw/zinc/89/55/17/1066895517.db2.gz DZBMNNLPBANRFG-UHFFFAOYSA-N 0 0 457.420 4.670 20 0 JJADRN CN(C(=O)CCc1cc(Cl)ccc1Br)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448067738 1066895728 /nfs/dbraw/zinc/89/57/28/1066895728.db2.gz XLWUOOUTMNIBDI-QGZVFWFLSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NC(=O)c3ccc(Br)cc3)cc1)CO2 ZINC001457679496 1066895844 /nfs/dbraw/zinc/89/58/44/1066895844.db2.gz ZKDNPDLLEORJLV-FQEVSTJZSA-N 0 0 451.320 4.873 20 0 JJADRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001448070544 1066896188 /nfs/dbraw/zinc/89/61/88/1066896188.db2.gz HIAUYJJXEIOVJY-AWEZNQCLSA-N 0 0 453.593 4.973 20 0 JJADRN O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001448071600 1066896316 /nfs/dbraw/zinc/89/63/16/1066896316.db2.gz TXADWBDHSFCYHT-XMMPIXPASA-N 0 0 455.476 4.820 20 0 JJADRN CC(C)n1ncc2cc(C=CC(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)c(=O)[nH]c21 ZINC001448071247 1066896396 /nfs/dbraw/zinc/89/63/96/1066896396.db2.gz VQVQBSRNIMJZMA-YVMONPNESA-N 0 0 456.949 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001457683996 1066896434 /nfs/dbraw/zinc/89/64/34/1066896434.db2.gz USGQDQUGHKBSLF-IAGOWNOFSA-N 0 0 451.350 4.679 20 0 JJADRN Cc1cc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CC[C@@H](C)[C@H](C)C2)n(C)n1 ZINC001492725834 1066896388 /nfs/dbraw/zinc/89/63/88/1066896388.db2.gz VLBQLRRDJGACKD-IEBWSBKVSA-N 0 0 471.049 4.824 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)n(C)n1 ZINC001492726893 1066896561 /nfs/dbraw/zinc/89/65/61/1066896561.db2.gz ZYJKBIXHTUZBIN-UHFFFAOYSA-N 0 0 464.658 4.945 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CCc3cccs3)cn2)n1 ZINC001492727632 1066896958 /nfs/dbraw/zinc/89/69/58/1066896958.db2.gz BJKPNSNHYGLYDC-UHFFFAOYSA-N 0 0 463.655 4.853 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)C(F)(F)F ZINC001457685741 1066896992 /nfs/dbraw/zinc/89/69/92/1066896992.db2.gz CALFLMRAKCLULE-QHCPKHFHSA-N 0 0 454.452 4.779 20 0 JJADRN Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(F)F)C2)n(C)n1 ZINC001492727223 1066897091 /nfs/dbraw/zinc/89/70/91/1066897091.db2.gz LBJJITAPZCRZKO-OAHLLOKOSA-N 0 0 466.989 4.796 20 0 JJADRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccnc1I ZINC001457685863 1066897136 /nfs/dbraw/zinc/89/71/36/1066897136.db2.gz NRGNQPJQAUTUSZ-QGZVFWFLSA-N 0 0 452.336 4.992 20 0 JJADRN CN(C(=O)c1csc(Cc2ccc(Cl)cc2)n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001448081177 1066898237 /nfs/dbraw/zinc/89/82/37/1066898237.db2.gz WRCHNROIDYTAGZ-SFHVURJKSA-N 0 0 450.004 4.763 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCOc3ccccc3Cl)C2)n1 ZINC001492728491 1066898208 /nfs/dbraw/zinc/89/82/08/1066898208.db2.gz FGCPNRWESQAOHR-LJQANCHMSA-N 0 0 457.022 4.963 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CCC(C)(C)C2 ZINC001457692113 1066898221 /nfs/dbraw/zinc/89/82/21/1066898221.db2.gz DBCXZCTZMOHDTP-UHFFFAOYSA-N 0 0 451.386 4.694 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492728380 1066898216 /nfs/dbraw/zinc/89/82/16/1066898216.db2.gz BTPUNEUEQPRXDM-HXUWFJFHSA-N 0 0 473.666 4.535 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](Oc1ccccc1)C(C)(C)O ZINC001448078809 1066898318 /nfs/dbraw/zinc/89/83/18/1066898318.db2.gz RRJWGQNVDQOWJC-FCHUYYIVSA-N 0 0 454.567 4.746 20 0 JJADRN Cc1cc2nc(C)c(CCC(=O)Nc3cc(Br)ccc3N3CCCC3)c(C)n2n1 ZINC001457690712 1066898368 /nfs/dbraw/zinc/89/83/68/1066898368.db2.gz NCYCTDGRYMVSJK-UHFFFAOYSA-N 0 0 456.388 4.589 20 0 JJADRN CC(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC001457688921 1066898439 /nfs/dbraw/zinc/89/84/39/1066898439.db2.gz JPGCRPQFTFAPQA-UHFFFAOYSA-N 0 0 458.477 4.684 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@@](C)(O)c3ccccc3Cl)C2)n1 ZINC001492729099 1066898614 /nfs/dbraw/zinc/89/86/14/1066898614.db2.gz UNTLDXZVALGROH-NTKDMRAZSA-N 0 0 457.022 4.617 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(C)C ZINC001492728956 1066898684 /nfs/dbraw/zinc/89/86/84/1066898684.db2.gz QJKSNCXKUBTZKP-UHFFFAOYSA-N 0 0 482.430 4.979 20 0 JJADRN COc1cc(Br)ccc1CNC(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001448083271 1066898957 /nfs/dbraw/zinc/89/89/57/1066898957.db2.gz VNRZFQSFXRYGGH-UHFFFAOYSA-N 0 0 456.109 4.771 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(C)nnc2N(C)Cc2cc(Br)cs2)n1 ZINC001492729077 1066898812 /nfs/dbraw/zinc/89/88/12/1066898812.db2.gz UBNBLEKKJVDSBG-UHFFFAOYSA-N 0 0 471.428 4.898 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)CCC(C)C)C2)n1 ZINC001492729512 1066899247 /nfs/dbraw/zinc/89/92/47/1066899247.db2.gz DRXSYJZRNRVLQB-SQJMNOBHSA-N 0 0 486.064 4.836 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCc3ccc(Br)s3)C2)n1 ZINC001492729623 1066899253 /nfs/dbraw/zinc/89/92/53/1066899253.db2.gz GZQKQXJFBMCTKG-INIZCTEOSA-N 0 0 478.464 4.518 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCCOC(F)F)C2)n1 ZINC001492729350 1066899311 /nfs/dbraw/zinc/89/93/11/1066899311.db2.gz ANOINSHYNKTBIP-ICSRJNTNSA-N 0 0 492.546 4.841 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)c3cc(Br)cc(Br)c3)nc2c1 ZINC001448100372 1066899367 /nfs/dbraw/zinc/89/93/67/1066899367.db2.gz AENVXADNTWLMLQ-SECBINFHSA-N 0 0 453.134 4.588 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCc3cc(Br)ccc3F)C2)n1 ZINC001492729755 1066899806 /nfs/dbraw/zinc/89/98/06/1066899806.db2.gz JSZPQSKZXSKTMJ-IBGZPJMESA-N 0 0 490.425 4.596 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)nc2c1 ZINC001448106250 1066899864 /nfs/dbraw/zinc/89/98/64/1066899864.db2.gz RHTVSPAPDKMAJL-OAHLLOKOSA-N 0 0 451.958 4.756 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(C)c1C ZINC001448103243 1066899990 /nfs/dbraw/zinc/89/99/90/1066899990.db2.gz XXKAZDVXLAXKMW-VWLOTQADSA-N 0 0 457.530 4.564 20 0 JJADRN CCCc1c(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cnn1-c1ccc(C)cc1 ZINC001448102390 1066900033 /nfs/dbraw/zinc/90/00/33/1066900033.db2.gz SKDDANZLPLGTRV-UHFFFAOYSA-N 0 0 457.500 4.509 20 0 JJADRN Cc1nc(CNC(=O)CCN2C(=S)N=NC2c2cccs2)oc1-c1ccc(Cl)cc1 ZINC001457701153 1066899907 /nfs/dbraw/zinc/89/99/07/1066899907.db2.gz FVGVVJXBJWPMJE-UHFFFAOYSA-N 0 0 459.984 4.619 20 0 JJADRN Cc1ccc(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cc1NC(=O)c1ccccc1F ZINC001457701697 1066899922 /nfs/dbraw/zinc/89/99/22/1066899922.db2.gz XDYQDDKHFNWXBM-UHFFFAOYSA-N 0 0 457.509 4.632 20 0 JJADRN Cc1cc(=O)[nH]cc1NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001457700633 1066900043 /nfs/dbraw/zinc/90/00/43/1066900043.db2.gz APTACTQPLUTJTB-CYBMUJFWSA-N 0 0 452.561 4.733 20 0 JJADRN COc1ccc2[nH]c([C@@H](C)NC(=O)c3coc(-c4ccc(Br)cc4F)n3)nc2c1 ZINC001448103372 1066900087 /nfs/dbraw/zinc/90/00/87/1066900087.db2.gz JPQJECBUBYWUHO-SNVBAGLBSA-N 0 0 459.275 4.619 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C)n3Cc3ccc([C@H](F)C(F)(F)F)cc3)C2)n1 ZINC001492729959 1066900288 /nfs/dbraw/zinc/90/02/88/1066900288.db2.gz NPZFMZLDXBHPPR-PMACEKPBSA-N 0 0 450.484 4.863 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C)n3Cc3ccc([C@@H](F)C(F)(F)F)cc3)C2)n1 ZINC001492729962 1066900325 /nfs/dbraw/zinc/90/03/25/1066900325.db2.gz NPZFMZLDXBHPPR-WOJBJXKFSA-N 0 0 450.484 4.863 20 0 JJADRN CSc1cnn(-c2ccccc2)c1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001457706076 1066900458 /nfs/dbraw/zinc/90/04/58/1066900458.db2.gz NTUCKGHNIAOVOO-UHFFFAOYSA-N 0 0 454.353 4.795 20 0 JJADRN C[C@]1(C(=O)Nc2cc(-c3ccc(Br)o3)no2)CCCN(C(=O)c2ccccc2)C1 ZINC001457705611 1066900482 /nfs/dbraw/zinc/90/04/82/1066900482.db2.gz YAWHFUHYOOCFEN-NRFANRHFSA-N 0 0 458.312 4.578 20 0 JJADRN CCS[C@H](C)c1noc(CN(C)C(=O)c2cccc(C)c2NC(=O)c2ccccc2F)n1 ZINC001457704698 1066900503 /nfs/dbraw/zinc/90/05/03/1066900503.db2.gz BBWUBDBSCKEEHC-OAHLLOKOSA-N 0 0 456.543 4.856 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cccc(C)c2NC(=O)c2ccccc2F)n1 ZINC001457704697 1066900545 /nfs/dbraw/zinc/90/05/45/1066900545.db2.gz BBWUBDBSCKEEHC-HNNXBMFYSA-N 0 0 456.543 4.856 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492730510 1066900627 /nfs/dbraw/zinc/90/06/27/1066900627.db2.gz XKMQZFCDZOXCHH-UNIVCBNLSA-N 0 0 484.620 4.619 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3C[C@](C)(O)C(C)C)C2)n1 ZINC001492730381 1066900631 /nfs/dbraw/zinc/90/06/31/1066900631.db2.gz VHWOHWWKPXOGDL-QPPBQGQZSA-N 0 0 457.022 4.660 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CCCC(C)(C)C)C2)n1 ZINC001492730681 1066901163 /nfs/dbraw/zinc/90/11/63/1066901163.db2.gz BCPNLYGXGJCPCE-HXUWFJFHSA-N 0 0 483.686 4.751 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc3c(cc2F)NC(=O)CC3)c2ccccc21 ZINC001448117071 1066901455 /nfs/dbraw/zinc/90/14/55/1066901455.db2.gz NZBKQTJDNLEYHV-HNNXBMFYSA-N 0 0 453.514 4.968 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3Cc3cccc(OCC(C)C)c3)C2)n1 ZINC001492730909 1066901547 /nfs/dbraw/zinc/90/15/47/1066901547.db2.gz GSEIROBKLLCVNS-QHCPKHFHSA-N 0 0 479.673 5.000 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC001457710379 1066901627 /nfs/dbraw/zinc/90/16/27/1066901627.db2.gz DDJVRENNOIMODY-QZTJIDSGSA-N 0 0 457.665 4.797 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CC(C)(C)O)C2CC2)s1 ZINC001448120673 1066901862 /nfs/dbraw/zinc/90/18/62/1066901862.db2.gz PKKQJCNFBAAUFT-UHFFFAOYSA-N 0 0 451.592 4.867 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448119611 1066901942 /nfs/dbraw/zinc/90/19/42/1066901942.db2.gz NNVKPDHUHAGXPR-UHFFFAOYSA-N 0 0 452.457 4.895 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)Nc2ccccc2O[C@@H]2CCOC2)nnc1-c1ccccc1 ZINC001457712549 1066902131 /nfs/dbraw/zinc/90/21/31/1066902131.db2.gz AMNAOLIPLVCPAQ-PKOBYXMFSA-N 0 0 452.580 4.815 20 0 JJADRN Cc1nc2ccc(C(=O)Nc3cccc(Oc4ncc(Br)cn4)c3)cc2nc1C ZINC001457713528 1066902497 /nfs/dbraw/zinc/90/24/97/1066902497.db2.gz SAWZZAKLEZSMQW-UHFFFAOYSA-N 0 0 450.296 4.844 20 0 JJADRN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1O[C@@H]1CCOC1 ZINC001457712697 1066902506 /nfs/dbraw/zinc/90/25/06/1066902506.db2.gz AVWBHVQRTFZEIJ-QGZVFWFLSA-N 0 0 459.365 4.922 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccn(C2CCCC2)n1 ZINC001457713134 1066902517 /nfs/dbraw/zinc/90/25/17/1066902517.db2.gz WROIXEXLFHLPOF-HSZRJFAPSA-N 0 0 450.970 4.829 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)Oc1cccc(F)c1 ZINC001546002931 1066902953 /nfs/dbraw/zinc/90/29/53/1066902953.db2.gz ACICTSWZPPUMCE-YADHBBJMSA-N 0 0 499.656 4.668 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1)C(F)(F)F ZINC001457714986 1066902961 /nfs/dbraw/zinc/90/29/61/1066902961.db2.gz CQSYHYDUTCWJSZ-OPAMFIHVSA-N 0 0 450.505 4.523 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)C)nnc1N(C)CCC1CCOCC1 ZINC001492731760 1066903362 /nfs/dbraw/zinc/90/33/62/1066903362.db2.gz WPYKRESBGDDATK-UHFFFAOYSA-N 0 0 464.658 4.639 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2O[C@H]2CCOC2)c(I)cc1Cl ZINC001457717148 1066903907 /nfs/dbraw/zinc/90/39/07/1066903907.db2.gz QTQYASUFGMCWQV-LBPRGKRZSA-N 0 0 457.695 4.673 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001457717368 1066903971 /nfs/dbraw/zinc/90/39/71/1066903971.db2.gz SESSAVVVRGRGEI-SFHVURJKSA-N 0 0 452.408 4.858 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1Br ZINC001448133021 1066903995 /nfs/dbraw/zinc/90/39/95/1066903995.db2.gz GGCFIBBVIWQBHU-OAHLLOKOSA-N 0 0 458.125 4.641 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001448132438 1066904068 /nfs/dbraw/zinc/90/40/68/1066904068.db2.gz YUKICLUVFTUNEG-UHFFFAOYSA-N 0 0 451.523 4.551 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001492732144 1066904084 /nfs/dbraw/zinc/90/40/84/1066904084.db2.gz JSPDFBGONPPECF-LJQANCHMSA-N 0 0 487.674 4.656 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC001457721495 1066904220 /nfs/dbraw/zinc/90/42/20/1066904220.db2.gz CZDSPOBWCMNEQG-CAYVGHNUSA-N 0 0 455.357 4.515 20 0 JJADRN CCOC(=O)Cc1nnc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)s1 ZINC001457718854 1066904239 /nfs/dbraw/zinc/90/42/39/1066904239.db2.gz HBOIHYUOLZCXRA-UHFFFAOYSA-N 0 0 452.561 4.724 20 0 JJADRN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001457718087 1066904284 /nfs/dbraw/zinc/90/42/84/1066904284.db2.gz ZGPLXILNCNOGML-UCNVEGJOSA-N 0 0 450.362 4.900 20 0 JJADRN CCCCCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1 ZINC001448146637 1066904343 /nfs/dbraw/zinc/90/43/43/1066904343.db2.gz YWLUXFAVIYLIIF-UHFFFAOYSA-N 0 0 454.542 4.632 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2CCc2ccc(Br)s2)n1 ZINC001492732549 1066905134 /nfs/dbraw/zinc/90/51/34/1066905134.db2.gz RDPRYAKDFGRDKB-INIZCTEOSA-N 0 0 489.443 4.997 20 0 JJADRN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC001457724734 1066905290 /nfs/dbraw/zinc/90/52/90/1066905290.db2.gz KVOAKENOZOZOKV-WJFJTQNHSA-N 0 0 452.599 4.865 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)[C@H]1Oc1ccccc1 ZINC001448157585 1066905323 /nfs/dbraw/zinc/90/53/23/1066905323.db2.gz HTEBOFCVVHAYSD-QKNQBKEWSA-N 0 0 459.468 4.759 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@@](C)(O)c2cccs2)n1 ZINC001492732687 1066905746 /nfs/dbraw/zinc/90/57/46/1066905746.db2.gz TXPYEPPRNNSMIO-BXKMTCNYSA-N 0 0 486.592 4.585 20 0 JJADRN CC(C)(C(=O)N1CCC(Oc2cncc(Cl)n2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448165720 1066905735 /nfs/dbraw/zinc/90/57/35/1066905735.db2.gz UVCRFOPTQHRSFC-SFHVURJKSA-N 0 0 458.773 4.566 20 0 JJADRN C[C@H](C1CC1)n1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cn1 ZINC001448163255 1066905794 /nfs/dbraw/zinc/90/57/94/1066905794.db2.gz LWNKTGNOYGXLFG-CYBMUJFWSA-N 0 0 457.328 4.643 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@H](C)c2c(C)noc2C)n1 ZINC001492732862 1066906024 /nfs/dbraw/zinc/90/60/24/1066906024.db2.gz XCOPGMQNBFPXOI-HNAYVOBHSA-N 0 0 465.577 4.885 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CCCC2CCOCC2)n1 ZINC001492732717 1066906219 /nfs/dbraw/zinc/90/62/19/1066906219.db2.gz UPFCESGZPQSGMM-FQEVSTJZSA-N 0 0 454.594 4.683 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCC(C)(C)O3)cc2)c(C)c1C ZINC001448168005 1066906272 /nfs/dbraw/zinc/90/62/72/1066906272.db2.gz ZAGUESODDFKPKQ-JOCHJYFZSA-N 0 0 458.624 4.717 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2Cc2ccccc2OCC(F)(F)F)n1 ZINC001492732923 1066906609 /nfs/dbraw/zinc/90/66/09/1066906609.db2.gz YBXANOZHXLXFIQ-SFHVURJKSA-N 0 0 488.514 4.920 20 0 JJADRN CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)[C@H]1Oc1ccccc1 ZINC001448168613 1066906564 /nfs/dbraw/zinc/90/65/64/1066906564.db2.gz XMXZWEXXMQBWKF-YMPZKCBVSA-N 0 0 452.576 4.952 20 0 JJADRN O=C(Nc1ccc(CN2CCOCC2)cn1)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001457734898 1066906670 /nfs/dbraw/zinc/90/66/70/1066906670.db2.gz KAXXKFVPCKVQEG-UHFFFAOYSA-N 0 0 458.349 4.612 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCc3cc(Cl)ccn3)ccc2C)c(C)c1 ZINC001457735222 1066906744 /nfs/dbraw/zinc/90/67/44/1066906744.db2.gz LYCCRKCVWWPHDJ-UHFFFAOYSA-N 0 0 457.983 4.699 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2C[C@H](C)Oc2cccc(F)c2)n1 ZINC001492733505 1066907000 /nfs/dbraw/zinc/90/70/00/1066907000.db2.gz LVPOFXFBOOMWFF-RBDMOPTHSA-N 0 0 454.594 4.761 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2C[C@H](C)Oc2cccc(F)c2)n1 ZINC001492733504 1066907087 /nfs/dbraw/zinc/90/70/87/1066907087.db2.gz LVPOFXFBOOMWFF-PIPMEXSNSA-N 0 0 454.594 4.761 20 0 JJADRN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC001457737861 1066907122 /nfs/dbraw/zinc/90/71/22/1066907122.db2.gz ZQQCTGYJJDCSOS-UHFFFAOYSA-N 0 0 459.333 4.580 20 0 JJADRN NC(=O)NCCCCCC(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 ZINC001457736830 1066907300 /nfs/dbraw/zinc/90/73/00/1066907300.db2.gz UXYLXYWQTWUWJC-UHFFFAOYSA-N 0 0 455.303 4.638 20 0 JJADRN C[S@](=O)c1cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 ZINC001457739481 1066907740 /nfs/dbraw/zinc/90/77/40/1066907740.db2.gz XQCBOGHWXJWZRO-ICACTRECSA-N 0 0 452.576 4.573 20 0 JJADRN CC(C)N(C)c1ccccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC001448188562 1066907976 /nfs/dbraw/zinc/90/79/76/1066907976.db2.gz ROUYPTALERZIST-WMZHIEFXSA-N 0 0 455.599 4.968 20 0 JJADRN COc1ccccc1C1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCC1 ZINC001457740142 1066908283 /nfs/dbraw/zinc/90/82/83/1066908283.db2.gz BTQGVUHVNNVSJU-QFIPXVFZSA-N 0 0 457.412 4.833 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H]2CCCO[C@H]2C(C)C)n1 ZINC001492735006 1066908209 /nfs/dbraw/zinc/90/82/09/1066908209.db2.gz HAZZOGLKSGJBJL-YKSBVNFPSA-N 0 0 472.584 4.506 20 0 JJADRN COC(=O)c1sc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1C1CCCC1 ZINC001457742810 1066908546 /nfs/dbraw/zinc/90/85/46/1066908546.db2.gz LQUOPSCLBYNAPC-LSDHHAIUSA-N 0 0 451.589 4.609 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)cc3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492735145 1066908682 /nfs/dbraw/zinc/90/86/82/1066908682.db2.gz LRYDZHVRKASKPJ-UZLBHIALSA-N 0 0 471.447 4.975 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2Cc2ccnc(C(F)(F)F)c2)n1 ZINC001492735181 1066908695 /nfs/dbraw/zinc/90/86/95/1066908695.db2.gz MUGMJYQKSGRPOM-UHFFFAOYSA-N 0 0 491.468 4.516 20 0 JJADRN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001457743157 1066909063 /nfs/dbraw/zinc/90/90/63/1066909063.db2.gz FPIZTHVGYPBWJG-IBGZPJMESA-N 0 0 457.324 4.750 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003457 1066909330 /nfs/dbraw/zinc/90/93/30/1066909330.db2.gz JRPGXFNCIZOQIS-WMZOPIPTSA-N 0 0 476.691 4.810 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001492735623 1066909310 /nfs/dbraw/zinc/90/93/10/1066909310.db2.gz CSGRJPBLSHPGAA-UHFFFAOYSA-N 0 0 462.598 4.761 20 0 JJADRN COc1ccccc1CSc1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001457745869 1066909377 /nfs/dbraw/zinc/90/93/77/1066909377.db2.gz LIUOUXFUCJLCGP-UHFFFAOYSA-N 0 0 457.555 4.850 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC001448220326 1066909895 /nfs/dbraw/zinc/90/98/95/1066909895.db2.gz CZRCPTSMFVXODE-JOCHJYFZSA-N 0 0 458.524 4.867 20 0 JJADRN O=C(c1cccnc1I)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001457747495 1066909942 /nfs/dbraw/zinc/90/99/42/1066909942.db2.gz YBYBLKCGMLMOKT-UHFFFAOYSA-N 0 0 459.114 4.923 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001546003671 1066910351 /nfs/dbraw/zinc/91/03/51/1066910351.db2.gz NTYJOIBCOMEFFR-IRLDBZIGSA-N 0 0 494.709 4.959 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CCCSC2)n1 ZINC001492736054 1066910293 /nfs/dbraw/zinc/91/02/93/1066910293.db2.gz SJUFNRWOSWYCAF-LJQANCHMSA-N 0 0 489.487 4.682 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2Cc2ccccc2Br)n1 ZINC001492736102 1066910344 /nfs/dbraw/zinc/91/03/44/1066910344.db2.gz UNBICCGVCMTZKC-UHFFFAOYSA-N 0 0 485.455 4.957 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2Cc2c(F)cccc2Cl)n1 ZINC001492736107 1066910419 /nfs/dbraw/zinc/91/04/19/1066910419.db2.gz UUGLIINJBBRGRX-UHFFFAOYSA-N 0 0 458.994 4.987 20 0 JJADRN O=C(COc1cccc(C(F)(F)F)c1)Nc1cnc(Br)c(Br)c1 ZINC001457751119 1066911092 /nfs/dbraw/zinc/91/10/92/1066911092.db2.gz BIVDQLGDUHCWGA-UHFFFAOYSA-N 0 0 454.040 4.643 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC(C)(C)C(=O)NCC1CCCCC1 ZINC001457751778 1066911138 /nfs/dbraw/zinc/91/11/38/1066911138.db2.gz YYWLCGONVVEVNH-UHFFFAOYSA-N 0 0 459.587 4.653 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(OC)C1)Oc1cccc(F)c1 ZINC001546003900 1066911643 /nfs/dbraw/zinc/91/16/43/1066911643.db2.gz SATHJOWNVRARAL-GBXCKJPGSA-N 0 0 473.618 4.636 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cc(I)ccc3Cl)c2c1 ZINC001457752959 1066911897 /nfs/dbraw/zinc/91/18/97/1066911897.db2.gz MGMLUIFRXWOXEC-UHFFFAOYSA-N 0 0 456.642 4.898 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCC(C)(F)F)n1 ZINC001492736800 1066911993 /nfs/dbraw/zinc/91/19/93/1066911993.db2.gz TZKZBAAGFSFGSW-UHFFFAOYSA-N 0 0 456.463 4.840 20 0 JJADRN Cc1cc(C(=O)Nc2cnc(Br)c(Br)c2)c(Br)s1 ZINC001457753349 1066912285 /nfs/dbraw/zinc/91/22/85/1066912285.db2.gz PHBNZHUOVCLFJS-UHFFFAOYSA-N 0 0 454.969 4.991 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492737040 1066912380 /nfs/dbraw/zinc/91/23/80/1066912380.db2.gz CNIVDXMQPPKXHN-IRXDYDNUSA-N 0 0 467.565 4.835 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C/C=C\c2ccccc2)n1 ZINC001492737156 1066912399 /nfs/dbraw/zinc/91/23/99/1066912399.db2.gz HIWLWLUIBFPTMD-YFHOEESVSA-N 0 0 487.555 4.965 20 0 JJADRN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001448233258 1066912764 /nfs/dbraw/zinc/91/27/64/1066912764.db2.gz IFKXZZXELCSBLB-VXNXHJTFSA-N 0 0 479.621 4.685 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3sc(C)cc3OCc3ccccc3)C2)cc1F ZINC001448233509 1066912775 /nfs/dbraw/zinc/91/27/75/1066912775.db2.gz BINHAPVPFMHUAB-GOSISDBHSA-N 0 0 454.523 4.706 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)c1 ZINC001448236605 1066913226 /nfs/dbraw/zinc/91/32/26/1066913226.db2.gz QBQMLCLBLTUAAQ-ZRBLBEILSA-N 0 0 466.578 4.628 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3c2cccc3Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001457758213 1066913167 /nfs/dbraw/zinc/91/31/67/1066913167.db2.gz ZZYZXURGSJKTIR-WDYCEAGBSA-N 0 0 452.860 4.518 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)cc(OC)c(OC)c1OC ZINC001457759999 1066913173 /nfs/dbraw/zinc/91/31/73/1066913173.db2.gz DHDOPNGNAWVAEM-GFCCVEGCSA-N 0 0 455.429 4.807 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)n1 ZINC001492738578 1066913247 /nfs/dbraw/zinc/91/32/47/1066913247.db2.gz CAVXQYDLCPABMD-UHFFFAOYSA-N 0 0 477.588 4.997 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n1 ZINC001492738357 1066913310 /nfs/dbraw/zinc/91/33/10/1066913310.db2.gz UWFNHXDLXXIFKK-FGZHOGPDSA-N 0 0 456.679 4.996 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(Oc3ccccc3)nc2)n1 ZINC001492739010 1066913483 /nfs/dbraw/zinc/91/34/83/1066913483.db2.gz REHLGKTYSVEVLN-UHFFFAOYSA-N 0 0 485.514 4.764 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)c3cc(Br)cc(N4CCCC4)c3)C2)cc1C ZINC001448237008 1066913647 /nfs/dbraw/zinc/91/36/47/1066913647.db2.gz PSSMMCRIAJLECN-NRFANRHFSA-N 0 0 456.384 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC001492739333 1066913912 /nfs/dbraw/zinc/91/39/12/1066913912.db2.gz FPKAEBULPZHXKH-AZGAKELHSA-N 0 0 464.658 4.660 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)cc1C ZINC001448243564 1066914526 /nfs/dbraw/zinc/91/45/26/1066914526.db2.gz SXLLJTMZWGNCIV-NTKDMRAZSA-N 0 0 456.542 4.648 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCO[C@H](CC)C1 ZINC001448242297 1066914603 /nfs/dbraw/zinc/91/46/03/1066914603.db2.gz GVBAUGXAVJIHJK-VQTJNVASSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc(F)cc3)C(C)C)n2C[C@@H]2CCCSC2)n1 ZINC001492740054 1066914890 /nfs/dbraw/zinc/91/48/90/1066914890.db2.gz GSHJXMBJBZROMA-NRFANRHFSA-N 0 0 456.635 4.837 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC(C)(C)C1)Oc1ccccc1F ZINC001546003997 1066914877 /nfs/dbraw/zinc/91/48/77/1066914877.db2.gz UQGPYLTXXKKKFY-PKOBYXMFSA-N 0 0 458.603 4.931 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3cccc4c(Br)cccc34)C2)cc1F ZINC001448246865 1066914988 /nfs/dbraw/zinc/91/49/88/1066914988.db2.gz YAGHRXOAIIFFDK-CQSZACIVSA-N 0 0 457.299 4.673 20 0 JJADRN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001457769687 1066915166 /nfs/dbraw/zinc/91/51/66/1066915166.db2.gz YHMJLELHKVLYGH-INIZCTEOSA-N 0 0 451.792 4.792 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)n1 ZINC001492740500 1066915255 /nfs/dbraw/zinc/91/52/55/1066915255.db2.gz XRXGUTXRLZXFOM-UHFFFAOYSA-N 0 0 488.061 4.702 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C3CCCC3)n2C[C@@](C)(O)c2cccs2)n1 ZINC001492740466 1066915265 /nfs/dbraw/zinc/91/52/65/1066915265.db2.gz WNMLQKVOZGWIIZ-XMMPIXPASA-N 0 0 456.660 4.514 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)n1 ZINC001492740445 1066915341 /nfs/dbraw/zinc/91/53/41/1066915341.db2.gz VWHDPDJHAWWNPX-IBGZPJMESA-N 0 0 476.547 4.620 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)COc1ccc(Cl)c(CC)c1 ZINC001457772474 1066915663 /nfs/dbraw/zinc/91/56/63/1066915663.db2.gz GCYGPLJFYGQMBO-LJQANCHMSA-N 0 0 458.769 4.879 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CC3CC3)C3CCCCC3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001492740593 1066915752 /nfs/dbraw/zinc/91/57/52/1066915752.db2.gz ASSFHGCISVVQIL-UHFFFAOYSA-N 0 0 485.677 4.604 20 0 JJADRN CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1)NC(=O)OC(C)(C)C ZINC001546004160 1066915786 /nfs/dbraw/zinc/91/57/86/1066915786.db2.gz XCLVFVMCTNRMBP-NSISKUIASA-N 0 0 475.659 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2CCO[C@H]2CCCC[C@@H]2C)n1 ZINC001492740734 1066916080 /nfs/dbraw/zinc/91/60/80/1066916080.db2.gz GJAHIFZPUAUSIU-CVDCTZTESA-N 0 0 454.619 4.743 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001448296881 1066916512 /nfs/dbraw/zinc/91/65/12/1066916512.db2.gz BJRJSIRDFZPIPS-GFCCVEGCSA-N 0 0 458.183 4.923 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC001448296884 1066916451 /nfs/dbraw/zinc/91/64/51/1066916451.db2.gz BJRJSIRDFZPIPS-LBPRGKRZSA-N 0 0 458.183 4.923 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCC[C@@H]3C)c2)cc1 ZINC001448298573 1066916551 /nfs/dbraw/zinc/91/65/51/1066916551.db2.gz DQYYCXVZJISVRQ-HOTGVXAUSA-N 0 0 450.988 4.706 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC001448298459 1066916701 /nfs/dbraw/zinc/91/67/01/1066916701.db2.gz DHYBUCJAMHBGJA-UHFFFAOYSA-N 0 0 459.413 4.787 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)C(=O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)n[nH]2)o1 ZINC001457775816 1066916950 /nfs/dbraw/zinc/91/69/50/1066916950.db2.gz GRWCTLJTMRBKOG-UHFFFAOYSA-N 0 0 457.412 4.621 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001457775583 1066917032 /nfs/dbraw/zinc/91/70/32/1066917032.db2.gz UGKOZGILWFDOCC-OXJNMPFZSA-N 0 0 450.362 4.962 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCCNc2ccc(C(F)(F)F)cn2)n1 ZINC001492741526 1066917063 /nfs/dbraw/zinc/91/70/63/1066917063.db2.gz BPYGTQWTUHIMEM-WMZOPIPTSA-N 0 0 490.578 4.681 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001546004424 1066917172 /nfs/dbraw/zinc/91/71/72/1066917172.db2.gz CMZUULCZINPXGE-JKSUJKDBSA-N 0 0 455.780 4.610 20 0 JJADRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC001457777280 1066917499 /nfs/dbraw/zinc/91/74/99/1066917499.db2.gz BNSZYIRFYVPFKD-UHFFFAOYSA-N 0 0 450.808 4.726 20 0 JJADRN Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 ZINC001448330792 1066917569 /nfs/dbraw/zinc/91/75/69/1066917569.db2.gz DZWGKPLBRGYCMA-QHCPKHFHSA-N 0 0 454.636 4.650 20 0 JJADRN Cc1c(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cccc1N1C(=O)CCNC1=O ZINC001448330218 1066917684 /nfs/dbraw/zinc/91/76/84/1066917684.db2.gz JDGHFCYEECYNCK-UHFFFAOYSA-N 0 0 451.429 4.764 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccccc2OC(F)(F)F)n1 ZINC001492742096 1066917989 /nfs/dbraw/zinc/91/79/89/1066917989.db2.gz LPUHHLWSYJLHBW-IYBDPMFKSA-N 0 0 462.520 4.569 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC001448348661 1066918173 /nfs/dbraw/zinc/91/81/73/1066918173.db2.gz XQVHKDNXNKIJMV-HNNXBMFYSA-N 0 0 453.695 4.668 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1noc2c1CCc1ccccc1-2 ZINC001457779569 1066918188 /nfs/dbraw/zinc/91/81/88/1066918188.db2.gz CXBQXCDYJVIEPP-LJQANCHMSA-N 0 0 459.329 4.651 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)c(F)c2)cc1C ZINC001457780597 1066918269 /nfs/dbraw/zinc/91/82/69/1066918269.db2.gz HKKPGXUMUOFZQR-UHFFFAOYSA-N 0 0 453.539 4.541 20 0 JJADRN CSc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)cc1 ZINC001457781707 1066918440 /nfs/dbraw/zinc/91/84/40/1066918440.db2.gz UGTIRQHKGRIJOX-UHFFFAOYSA-N 0 0 458.580 4.629 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](c4ccccc4)O[C@@H](C)C3)n2CCCC(C)(C)C)n1 ZINC001492742845 1066918511 /nfs/dbraw/zinc/91/85/11/1066918511.db2.gz SZHLBUQUEGIYGF-GMAHTHKFSA-N 0 0 450.631 4.932 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001492743081 1066918529 /nfs/dbraw/zinc/91/85/29/1066918529.db2.gz VNAXQTBXPLEKAM-GCJKJVERSA-N 0 0 450.631 4.788 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)c(CC)[nH]c2=O)cc1 ZINC001448351492 1066918491 /nfs/dbraw/zinc/91/84/91/1066918491.db2.gz IJFIZCPFFMZFHQ-QFIPXVFZSA-N 0 0 453.583 4.655 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCc3cc(F)cc(C)c3C2)c1 ZINC001448353741 1066918702 /nfs/dbraw/zinc/91/87/02/1066918702.db2.gz INHVWAFPGLPKJF-UHFFFAOYSA-N 0 0 452.551 4.750 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC001457786346 1066919486 /nfs/dbraw/zinc/91/94/86/1066919486.db2.gz ILZUAQORIUAZPV-XOBRGWDASA-N 0 0 456.395 4.537 20 0 JJADRN CCc1[nH]c(=O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)cc1C ZINC001448357864 1066919430 /nfs/dbraw/zinc/91/94/30/1066919430.db2.gz RFEBJRILARXLST-FQEVSTJZSA-N 0 0 459.974 4.746 20 0 JJADRN Cc1cc(C(=O)N2CCOc3ccc(Br)cc3C2)nc(-c2ccc(Cl)cc2)n1 ZINC001448358643 1066919553 /nfs/dbraw/zinc/91/95/53/1066919553.db2.gz XORLXNANYFXCKH-UHFFFAOYSA-N 0 0 458.743 4.903 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)cc1 ZINC001448359601 1066919927 /nfs/dbraw/zinc/91/99/27/1066919927.db2.gz NNJRCLZJHOOKBT-GFCCVEGCSA-N 0 0 459.237 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H](c2cccc(F)c2)C1 ZINC001448360917 1066920286 /nfs/dbraw/zinc/92/02/86/1066920286.db2.gz YDIQRDGCDRZIDJ-OAQYLSRUSA-N 0 0 451.498 4.514 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)COCc3ccccc3)c2)cc1 ZINC001448367849 1066920395 /nfs/dbraw/zinc/92/03/95/1066920395.db2.gz GSZDKTKCANEEEW-UHFFFAOYSA-N 0 0 452.576 4.521 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(c4ccc(O)cc4)CC3)n2CCCC(F)(F)F)n1 ZINC001492744988 1066920519 /nfs/dbraw/zinc/92/05/19/1066920519.db2.gz DMROAAZKWHCXQW-UHFFFAOYSA-N 0 0 462.520 4.572 20 0 JJADRN O=C(CSc1ccc(Br)cc1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457789268 1066920490 /nfs/dbraw/zinc/92/04/90/1066920490.db2.gz IVWFTMNDOAWZJA-UHFFFAOYSA-N 0 0 457.275 4.779 20 0 JJADRN COc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)n1 ZINC001457789181 1066920623 /nfs/dbraw/zinc/92/06/23/1066920623.db2.gz QLCFAPQYICIAID-UHFFFAOYSA-N 0 0 454.324 4.595 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCO[C@H]2CCCC[C@H]2C)n1 ZINC001492745395 1066920998 /nfs/dbraw/zinc/92/09/98/1066920998.db2.gz MWTLFCPCMMAZNG-UTKZUKDTSA-N 0 0 482.595 4.904 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001448381117 1066921105 /nfs/dbraw/zinc/92/11/05/1066921105.db2.gz DFMKCPYSKQSFSO-ZWOKBUDYSA-N 0 0 451.419 4.907 20 0 JJADRN COCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1Cl ZINC001448380757 1066921169 /nfs/dbraw/zinc/92/11/69/1066921169.db2.gz BWJGYCODTWVNEN-DGDHUYAWSA-N 0 0 450.966 4.892 20 0 JJADRN CN(C)c1nnc(-c2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)o1 ZINC001457790558 1066921311 /nfs/dbraw/zinc/92/13/11/1066921311.db2.gz QSKKJLNTDWKSIB-UHFFFAOYSA-N 0 0 456.593 4.689 20 0 JJADRN O=C(Nc1cc(O)c(Br)cc1Br)c1ccc(-c2csnn2)cc1 ZINC001457789706 1066921376 /nfs/dbraw/zinc/92/13/76/1066921376.db2.gz WJEJWNMCABTTHI-UHFFFAOYSA-N 0 0 455.131 4.688 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCCC(F)(F)F)n1 ZINC001492745836 1066921371 /nfs/dbraw/zinc/92/13/71/1066921371.db2.gz YVISOAVUMAUZJX-UHFFFAOYSA-N 0 0 452.447 4.651 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCOc2ccccc2Cl)n1 ZINC001492745740 1066921457 /nfs/dbraw/zinc/92/14/57/1066921457.db2.gz WLLGDNLFFQGXDE-FQEVSTJZSA-N 0 0 457.022 4.745 20 0 JJADRN O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001448385594 1066921591 /nfs/dbraw/zinc/92/15/91/1066921591.db2.gz DSKWRIICDXPBMP-NLWGTHIKSA-N 0 0 454.286 4.522 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001448383183 1066921723 /nfs/dbraw/zinc/92/17/23/1066921723.db2.gz BXEWAWKJJMCOCJ-YQVWRLOYSA-N 0 0 456.302 4.984 20 0 JJADRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1CCc2cc(Br)ccc21 ZINC001457793114 1066922236 /nfs/dbraw/zinc/92/22/36/1066922236.db2.gz UFVRZWQSYCTCAI-AWEZNQCLSA-N 0 0 451.246 4.717 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@H]2CCCCC(F)(F)C2)n1 ZINC001492747150 1066922136 /nfs/dbraw/zinc/92/21/36/1066922136.db2.gz RKEKIRPQOLZIAO-FQEVSTJZSA-N 0 0 464.605 4.749 20 0 JJADRN Cn1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c2cc(F)ccc21 ZINC001448397411 1066922467 /nfs/dbraw/zinc/92/24/67/1066922467.db2.gz SLLWYKFMFCIPPK-MRXNPFEDSA-N 0 0 459.237 4.562 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001492748086 1066922571 /nfs/dbraw/zinc/92/25/71/1066922571.db2.gz WGJWSUDPXRHVMS-RUZDIDTESA-N 0 0 471.049 4.543 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001457797101 1066922596 /nfs/dbraw/zinc/92/25/96/1066922596.db2.gz XYFMQBIQLLXJNE-IBGZPJMESA-N 0 0 453.272 4.982 20 0 JJADRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC001457795582 1066922771 /nfs/dbraw/zinc/92/27/71/1066922771.db2.gz QRFXGJXJVIUEPM-QEJZJMRPSA-N 0 0 453.402 4.642 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001492748483 1066922981 /nfs/dbraw/zinc/92/29/81/1066922981.db2.gz GWUXOHJPTFUMGS-KRWDZBQOSA-N 0 0 468.474 4.688 20 0 JJADRN CCOC(=O)c1c(NC(=O)c2c(F)ccc(SCC3CC3)c2F)cc(OC)cc1OC ZINC001457801208 1066923091 /nfs/dbraw/zinc/92/30/91/1066923091.db2.gz GGQDGNGADWSSAH-UHFFFAOYSA-N 0 0 451.491 4.913 20 0 JJADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001457799911 1066923258 /nfs/dbraw/zinc/92/32/58/1066923258.db2.gz DIBCFZOUMSEASH-UHFFFAOYSA-N 0 0 454.246 4.806 20 0 JJADRN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 ZINC001448399143 1066923322 /nfs/dbraw/zinc/92/33/22/1066923322.db2.gz YDAXKRYJSVOVFV-RUZDIDTESA-N 0 0 452.551 4.531 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC001457800930 1066923562 /nfs/dbraw/zinc/92/35/62/1066923562.db2.gz CLDUQRGPUYBUJV-NSHDSACASA-N 0 0 452.761 4.705 20 0 JJADRN C[C@@H](O)[C@](C)(CNC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O)Cc1ccccc1 ZINC001457801693 1066923627 /nfs/dbraw/zinc/92/36/27/1066923627.db2.gz IIMADTLURQDDCG-GDJIYFAZSA-N 0 0 456.542 4.680 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](C)Oc2ccccc2C)n1 ZINC001492749037 1066923854 /nfs/dbraw/zinc/92/38/54/1066923854.db2.gz SNQMLJWLIDPDAI-GOTSBHOMSA-N 0 0 450.631 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492749131 1066923896 /nfs/dbraw/zinc/92/38/96/1066923896.db2.gz USKPEEFLVVOKBH-QGQQZZQASA-N 0 0 499.704 4.706 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001492749130 1066923931 /nfs/dbraw/zinc/92/39/31/1066923931.db2.gz USKPEEFLVVOKBH-PVSGBFIBSA-N 0 0 499.704 4.706 20 0 JJADRN CCOC(=O)c1c(NC(=O)CCCc2ccc(Br)cc2)cc(OC)cc1OC ZINC001457802055 1066924031 /nfs/dbraw/zinc/92/40/31/1066924031.db2.gz JMZBEXICTZWVFJ-UHFFFAOYSA-N 0 0 450.329 4.604 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC001492749392 1066924251 /nfs/dbraw/zinc/92/42/51/1066924251.db2.gz ZSKDRVISLGOOSK-QZTJIDSGSA-N 0 0 478.975 4.742 20 0 JJADRN CC1N=NC(=S)N1c1cccc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC001457806165 1066924472 /nfs/dbraw/zinc/92/44/72/1066924472.db2.gz MKEUNVOKUGELST-UHFFFAOYSA-N 0 0 457.275 4.898 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492749874 1066924517 /nfs/dbraw/zinc/92/45/17/1066924517.db2.gz LFQXDZBIFGPMAC-QZTJIDSGSA-N 0 0 490.521 4.513 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2ccc(Cl)s2)n1 ZINC001492749676 1066924571 /nfs/dbraw/zinc/92/45/71/1066924571.db2.gz GPDZFTFLGSVJHF-KRWDZBQOSA-N 0 0 463.051 4.687 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC001448408568 1066924649 /nfs/dbraw/zinc/92/46/49/1066924649.db2.gz YBBYRYWXFITLHS-AWEZNQCLSA-N 0 0 450.377 4.697 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCS[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546005675 1066924907 /nfs/dbraw/zinc/92/49/07/1066924907.db2.gz GZRABRKJNVHMAW-ZHALLVOQSA-N 0 0 451.681 4.644 20 0 JJADRN Cc1cccc(OCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1 ZINC001448409214 1066924916 /nfs/dbraw/zinc/92/49/16/1066924916.db2.gz WVDFSFMUEQUCRG-QHCPKHFHSA-N 0 0 453.583 4.760 20 0 JJADRN Cc1nc2cc(NC(=O)[C@H](C)CC(=O)c3cccc(Br)c3)ccc2n1[C@H](C)CO ZINC001457807325 1066924933 /nfs/dbraw/zinc/92/49/33/1066924933.db2.gz RIBCXSYNZBALQY-ZIAGYGMSSA-N 0 0 458.356 4.508 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2CCCC(F)(F)F)n1 ZINC001492750245 1066925176 /nfs/dbraw/zinc/92/51/76/1066925176.db2.gz UANIYFODWRQGGX-HXUWFJFHSA-N 0 0 461.536 4.563 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)NC2CC(c3ccccc3)C2)C1 ZINC001448413122 1066925540 /nfs/dbraw/zinc/92/55/40/1066925540.db2.gz JGGNSGNDADGIED-JSOIOWGOSA-N 0 0 455.396 4.672 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492750489 1066925549 /nfs/dbraw/zinc/92/55/49/1066925549.db2.gz ZEJQDZYLGGEPSW-WPFOTENUSA-N 0 0 486.705 4.765 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC001457808235 1066925557 /nfs/dbraw/zinc/92/55/57/1066925557.db2.gz VCVKQODUXUYKPC-VBKFSLOCSA-N 0 0 451.832 4.902 20 0 JJADRN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC001448418099 1066925773 /nfs/dbraw/zinc/92/57/73/1066925773.db2.gz RGUNBFXYPQYBKR-UHFFFAOYSA-N 0 0 454.979 4.841 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCNc2ncc(Cl)cc2Cl)n1 ZINC001492751105 1066925775 /nfs/dbraw/zinc/92/57/75/1066925775.db2.gz RIOVCUUSTSAUNG-HNNXBMFYSA-N 0 0 477.444 4.580 20 0 JJADRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC001546005904 1066925900 /nfs/dbraw/zinc/92/59/00/1066925900.db2.gz LOQAGKAUUKIFBU-QFIPXVFZSA-N 0 0 451.659 4.899 20 0 JJADRN CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001546005932 1066925939 /nfs/dbraw/zinc/92/59/39/1066925939.db2.gz MAZXAKSSCYGNBQ-QFIPXVFZSA-N 0 0 453.631 4.913 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001457810635 1066925930 /nfs/dbraw/zinc/92/59/30/1066925930.db2.gz QGTOKHXDFAPCGC-ZINXYGQCSA-N 0 0 456.380 4.689 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2Cc2cccc(OCC(C)C)c2)n1 ZINC001492750877 1066925811 /nfs/dbraw/zinc/92/58/11/1066925811.db2.gz LHRYHHXVPTXXHA-FQEVSTJZSA-N 0 0 450.631 4.849 20 0 JJADRN COc1cc2cc(C(=O)Nc3nc(-c4ccc(Br)cn4)cs3)[nH]c2cc1OC ZINC001457812209 1066926181 /nfs/dbraw/zinc/92/61/81/1066926181.db2.gz HSWORDMTYHSJJC-UHFFFAOYSA-N 0 0 459.325 4.718 20 0 JJADRN O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001457813421 1066926259 /nfs/dbraw/zinc/92/62/59/1066926259.db2.gz DALFYLCPIDIFBP-UHFFFAOYSA-N 0 0 452.139 4.756 20 0 JJADRN COc1nccc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc21 ZINC001457811928 1066926278 /nfs/dbraw/zinc/92/62/78/1066926278.db2.gz RELMPNTXPUJGFX-DEOSSOPVSA-N 0 0 455.514 4.720 20 0 JJADRN Cc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC001448432737 1066926722 /nfs/dbraw/zinc/92/67/22/1066926722.db2.gz QPOUAXBRXBTYRX-SFHVURJKSA-N 0 0 458.267 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2F)C[C@@H]1[C@@H]1CCCO1 ZINC001448434443 1066926779 /nfs/dbraw/zinc/92/67/79/1066926779.db2.gz HUSWYUPEJNEYRX-VHSSKADRSA-N 0 0 458.477 4.560 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC001457814196 1066926812 /nfs/dbraw/zinc/92/68/12/1066926812.db2.gz OZPHVRCYQQAMTG-LJQANCHMSA-N 0 0 456.583 4.850 20 0 JJADRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448432951 1066926835 /nfs/dbraw/zinc/92/68/35/1066926835.db2.gz SFAPYXOCGVNHGN-BMIGLBTASA-N 0 0 455.782 4.995 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(C)cc3OCCCC(C)C)CC(=O)N2C)cc1 ZINC001457814458 1066927054 /nfs/dbraw/zinc/92/70/54/1066927054.db2.gz QACBKDMITGHCOQ-ZEQKJWHPSA-N 0 0 452.595 4.654 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)C1 ZINC001457814643 1066927179 /nfs/dbraw/zinc/92/71/79/1066927179.db2.gz PJISZVLYVFBPFU-GXTWGEPZSA-N 0 0 481.416 4.990 20 0 JJADRN O=C(c1ccc(=O)n(-c2ccccc2)n1)N(Cc1ccccc1Br)C1CCCC1 ZINC001457818431 1066927436 /nfs/dbraw/zinc/92/74/36/1066927436.db2.gz KQTOUCXHKKAQOK-UHFFFAOYSA-N 0 0 452.352 4.580 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCc2ccccc2C(F)(F)F)n1 ZINC001492755635 1066927556 /nfs/dbraw/zinc/92/75/56/1066927556.db2.gz FPHPDLKQEXDJBA-ZWKOTPCHSA-N 0 0 478.588 4.731 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2ccc(Cl)cc2)n1 ZINC001492755918 1066927578 /nfs/dbraw/zinc/92/75/78/1066927578.db2.gz MKZBUIMZGJUYCI-NRFANRHFSA-N 0 0 459.063 4.614 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2cc(Br)cs2)n1 ZINC001492756259 1066927655 /nfs/dbraw/zinc/92/76/55/1066927655.db2.gz VZSDQGVKIQWWEF-SFHVURJKSA-N 0 0 495.516 4.590 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C)Cc3cccs3)C2)n1 ZINC001492756416 1066927899 /nfs/dbraw/zinc/92/78/99/1066927899.db2.gz ADLPVOXAXYKJIQ-FXAWDEMLSA-N 0 0 455.676 4.641 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCc2nc(C(C)(C)C)cs2)n1 ZINC001492756318 1066928041 /nfs/dbraw/zinc/92/80/41/1066928041.db2.gz XUVYASXFEKHRBS-IBGZPJMESA-N 0 0 487.743 4.714 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H]2CCCCC(F)(F)C2)n1 ZINC001492756334 1066928112 /nfs/dbraw/zinc/92/81/12/1066928112.db2.gz YEFWXNGQMPLQAS-PMACEKPBSA-N 0 0 466.646 4.933 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccccc3OC(C)C)C2)n1 ZINC001492756751 1066928349 /nfs/dbraw/zinc/92/83/49/1066928349.db2.gz LIELDLLLWFPWMP-OAQYLSRUSA-N 0 0 465.646 4.536 20 0 JJADRN O=C(NCc1cnc(Br)s1)c1cc(NCc2ccccc2)nc2ccccc21 ZINC001457824561 1066928404 /nfs/dbraw/zinc/92/84/04/1066928404.db2.gz VSXLOEFPLRBZFW-UHFFFAOYSA-N 0 0 453.365 4.996 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCC2)C[C@H]1c1ccccc1 ZINC001448444702 1066928470 /nfs/dbraw/zinc/92/84/70/1066928470.db2.gz DCQOPZLSNGAXHY-SIKLNZKXSA-N 0 0 456.533 4.906 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)ccc1Cl ZINC001448444938 1066928533 /nfs/dbraw/zinc/92/85/33/1066928533.db2.gz DPBPOACGJLHQOK-RBDMOPTHSA-N 0 0 458.986 4.935 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)n1 ZINC001492757951 1066929310 /nfs/dbraw/zinc/92/93/10/1066929310.db2.gz RFVUPXGICGFBCX-XZOQPEGZSA-N 0 0 456.679 4.973 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3cccc(Cl)c3)C2)n1 ZINC001492758155 1066929792 /nfs/dbraw/zinc/92/97/92/1066929792.db2.gz WHIVTQOPBPLUKH-HXUWFJFHSA-N 0 0 486.064 4.724 20 0 JJADRN O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1oc(C2CC2)nc1C(F)F ZINC001457830089 1066929800 /nfs/dbraw/zinc/92/98/00/1066929800.db2.gz XSYGOOCZWYYSBR-UHFFFAOYSA-N 0 0 454.315 4.647 20 0 JJADRN CC1(C)C[C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC001457830165 1066929892 /nfs/dbraw/zinc/92/98/92/1066929892.db2.gz YMPNSBHZHGRDTF-OAQYLSRUSA-N 0 0 457.412 4.875 20 0 JJADRN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001448461325 1066929920 /nfs/dbraw/zinc/92/99/20/1066929920.db2.gz GOXNXNUEGLUJCF-RUZDIDTESA-N 0 0 459.933 4.587 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCSC(C)C)C2)n1 ZINC001492758032 1066929854 /nfs/dbraw/zinc/92/98/54/1066929854.db2.gz SSMIZPPHUAFDTP-HSZRJFAPSA-N 0 0 497.713 4.740 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCc2noc(-c3ccccc3C)n2)c1 ZINC001457832265 1066930152 /nfs/dbraw/zinc/93/01/52/1066930152.db2.gz BRRKHRNXMHIKRE-UHFFFAOYSA-N 0 0 454.376 4.690 20 0 JJADRN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001448463728 1066930225 /nfs/dbraw/zinc/93/02/25/1066930225.db2.gz XTBCYBYROHZIJM-NRFANRHFSA-N 0 0 453.420 4.997 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccncc3Cl)CC2)n1 ZINC001492759035 1066930447 /nfs/dbraw/zinc/93/04/47/1066930447.db2.gz UNSAKWMIDIWIGD-UHFFFAOYSA-N 0 0 456.038 4.693 20 0 JJADRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457834533 1066930508 /nfs/dbraw/zinc/93/05/08/1066930508.db2.gz QKFSKNLXPSBDLZ-HSQYWUDLSA-N 0 0 451.449 4.904 20 0 JJADRN O=C(NCCc1c[nH]c2ccc(F)cc12)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001448474683 1066930587 /nfs/dbraw/zinc/93/05/87/1066930587.db2.gz LCNVWPQLBCBVNB-UHFFFAOYSA-N 0 0 451.811 4.532 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)Nc3cc([C@H](O)c4ccccn4)ccc3C)cc2)c1 ZINC001448467805 1066930623 /nfs/dbraw/zinc/93/06/23/1066930623.db2.gz PXZJATFBYIINBU-MHZLTWQESA-N 0 0 452.510 4.964 20 0 JJADRN COc1cc(C(=O)NC[C@](C)(O)c2ccccc2Br)ccc1OCCC(C)C ZINC001448466245 1066930816 /nfs/dbraw/zinc/93/08/16/1066930816.db2.gz ZWTOWVJSYAPFNX-QFIPXVFZSA-N 0 0 450.373 4.520 20 0 JJADRN COc1c(Br)cccc1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001457833581 1066930767 /nfs/dbraw/zinc/93/07/67/1066930767.db2.gz NQQYXJMEPHGROT-UHFFFAOYSA-N 0 0 457.299 4.779 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4)n3CC(F)(F)Br)CC2)n1 ZINC001492759349 1066930763 /nfs/dbraw/zinc/93/07/63/1066930763.db2.gz ZKBLIUCFJUWIMZ-UHFFFAOYSA-N 0 0 479.373 4.663 20 0 JJADRN Cc1cc(C)n(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492759190 1066930886 /nfs/dbraw/zinc/93/08/86/1066930886.db2.gz BBTVUQATUHGXOO-QZTJIDSGSA-N 0 0 463.630 4.533 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001457836989 1066930933 /nfs/dbraw/zinc/93/09/33/1066930933.db2.gz YNCXOUDBLHYFGT-UHFFFAOYSA-N 0 0 457.292 4.963 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001448478293 1066931152 /nfs/dbraw/zinc/93/11/52/1066931152.db2.gz DREJSKOMFCBWBC-OAHLLOKOSA-N 0 0 450.942 4.898 20 0 JJADRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCS(=O)(=O)Cc1cccc(C)c1 ZINC001457843820 1066931402 /nfs/dbraw/zinc/93/14/02/1066931402.db2.gz SLOROCYZPFMGDF-IBGZPJMESA-N 0 0 456.633 4.951 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c1)c1ccccc1 ZINC001457841000 1066931429 /nfs/dbraw/zinc/93/14/29/1066931429.db2.gz YGIREODAWHFFEG-KRWDZBQOSA-N 0 0 450.560 4.692 20 0 JJADRN CC[C@H](Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)CC[C@H]1C)NC(=O)OC(C)(C)C ZINC001546006562 1066931650 /nfs/dbraw/zinc/93/16/50/1066931650.db2.gz XLUWEXUNYUGQGI-KCZVDYSFSA-N 0 0 455.647 4.991 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)n1 ZINC001492760342 1066931933 /nfs/dbraw/zinc/93/19/33/1066931933.db2.gz BGZUFQZJZAOQIM-RTWAWAEBSA-N 0 0 487.048 4.838 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4ccc(F)cc4)n3CCCC(C)(C)C)CCO2)n1 ZINC001492759762 1066931969 /nfs/dbraw/zinc/93/19/69/1066931969.db2.gz MDHGCVLSXXMQEH-HSZRJFAPSA-N 0 0 484.620 4.541 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 ZINC001492760428 1066932200 /nfs/dbraw/zinc/93/22/00/1066932200.db2.gz FESSLJLLDPXVKN-QHCPKHFHSA-N 0 0 491.684 4.534 20 0 JJADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3C(C)C)CCO2)n1 ZINC001492760210 1066932247 /nfs/dbraw/zinc/93/22/47/1066932247.db2.gz YJMOSHMAMQNCIT-QHCPKHFHSA-N 0 0 494.684 4.788 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H]2CCCCO2)n1 ZINC001492760364 1066932308 /nfs/dbraw/zinc/93/23/08/1066932308.db2.gz BYVXIDNHXGXNSO-LJQANCHMSA-N 0 0 460.985 4.647 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)CC2)c1 ZINC001546006903 1066932393 /nfs/dbraw/zinc/93/23/93/1066932393.db2.gz FFQPVVXKQWMDDE-ZDXQCDESSA-N 0 0 455.643 4.768 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c(I)cc1OC ZINC001457851437 1066932452 /nfs/dbraw/zinc/93/24/52/1066932452.db2.gz FEGXJBRYIKNVJY-UHFFFAOYSA-N 0 0 459.711 4.590 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001492760509 1066932831 /nfs/dbraw/zinc/93/28/31/1066932831.db2.gz IAAZULPUYMSHEP-AUSIDOKSSA-N 0 0 493.656 4.507 20 0 JJADRN C[C@@]1(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)CCCS1 ZINC001457857920 1066932901 /nfs/dbraw/zinc/93/29/01/1066932901.db2.gz CYBAMUPFQXFRPS-HNNXBMFYSA-N 0 0 454.852 4.590 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(F)cc3Br)nnc2N(C)CC2CCC2)n1 ZINC001492760678 1066932992 /nfs/dbraw/zinc/93/29/92/1066932992.db2.gz NDLQEGWNOGKPRE-UHFFFAOYSA-N 0 0 475.410 4.987 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(F)(F)CC2)n1 ZINC001492760679 1066933124 /nfs/dbraw/zinc/93/31/24/1066933124.db2.gz NFAORCFNMUUJSA-GOSISDBHSA-N 0 0 462.520 4.696 20 0 JJADRN COc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc2s1 ZINC001448494111 1066933222 /nfs/dbraw/zinc/93/32/22/1066933222.db2.gz GXVVMZPMFWSVNM-INIZCTEOSA-N 0 0 450.347 4.855 20 0 JJADRN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(-n2cc(Br)cn2)cc1 ZINC001448498944 1066933519 /nfs/dbraw/zinc/93/35/19/1066933519.db2.gz CQEPTYJLAJLUFS-UHFFFAOYSA-N 0 0 457.328 4.827 20 0 JJADRN CC[C@H](C(=O)NCc1nc(-c2ccccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001448501351 1066933719 /nfs/dbraw/zinc/93/37/19/1066933719.db2.gz ITXBNYSAKWVSEP-GOSISDBHSA-N 0 0 456.934 4.524 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC001492760917 1066933880 /nfs/dbraw/zinc/93/38/80/1066933880.db2.gz WOWHPRQQJJGFJH-UHFFFAOYSA-N 0 0 470.524 4.988 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)cc1F ZINC001457872950 1066934130 /nfs/dbraw/zinc/93/41/30/1066934130.db2.gz GCDDVSAXGYSJMU-INIZCTEOSA-N 0 0 452.530 4.793 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001448504293 1066934142 /nfs/dbraw/zinc/93/41/42/1066934142.db2.gz VJHSLSRIPHEHPI-UHFFFAOYSA-N 0 0 453.605 4.604 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3csc(C)n3)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492761928 1066934619 /nfs/dbraw/zinc/93/46/19/1066934619.db2.gz AIYAVLZSKKMRHZ-UHFFFAOYSA-N 0 0 453.616 4.545 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(F)(F)F)n1 ZINC001492762145 1066934658 /nfs/dbraw/zinc/93/46/58/1066934658.db2.gz IABSDZMGJWOSDS-SFHVURJKSA-N 0 0 499.582 4.642 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001492762308 1066934918 /nfs/dbraw/zinc/93/49/18/1066934918.db2.gz MSIYCNPCWJKJMO-ROUUACIJSA-N 0 0 457.022 4.896 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](CC(C)C)C2)n1 ZINC001492762371 1066935002 /nfs/dbraw/zinc/93/50/02/1066935002.db2.gz PIHMQVCDWFOCGF-RJGXRXQPSA-N 0 0 499.704 4.825 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)nc3C2)c1 ZINC001448508415 1066935142 /nfs/dbraw/zinc/93/51/42/1066935142.db2.gz VIOURWJTSABBQT-NRFANRHFSA-N 0 0 450.627 4.863 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[C@H](C)c3ccccc3)c2)cc1 ZINC001448509748 1066935251 /nfs/dbraw/zinc/93/52/51/1066935251.db2.gz QBHPVPLQXDSBJD-IBGZPJMESA-N 0 0 452.576 4.810 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)Cc2ccco2)n1 ZINC001492762560 1066935306 /nfs/dbraw/zinc/93/53/06/1066935306.db2.gz WICBIDJQKBKEMB-UHFFFAOYSA-N 0 0 454.962 4.644 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cccc(CNc2ccncn2)c1 ZINC001448513160 1066935546 /nfs/dbraw/zinc/93/55/46/1066935546.db2.gz FQWATXDSZCCWPF-IBGZPJMESA-N 0 0 451.368 4.828 20 0 JJADRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)n2)cc1 ZINC001457882909 1066935667 /nfs/dbraw/zinc/93/56/67/1066935667.db2.gz GPYCJKARTDTESI-GFCCVEGCSA-N 0 0 457.321 4.678 20 0 JJADRN Cc1cc(C)n(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)n1 ZINC001492762631 1066935683 /nfs/dbraw/zinc/93/56/83/1066935683.db2.gz YZPIJGCNMJGXHD-MOPGFXCFSA-N 0 0 475.062 4.744 20 0 JJADRN Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCC(F)(F)F)CCO2)o1 ZINC001492764436 1066935701 /nfs/dbraw/zinc/93/57/01/1066935701.db2.gz FYOJAEFIARLJGF-GOSISDBHSA-N 0 0 478.519 4.854 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC001546007461 1066935864 /nfs/dbraw/zinc/93/58/64/1066935864.db2.gz XBJDYEFAAIBPDB-MHZLTWQESA-N 0 0 459.609 4.993 20 0 JJADRN CC[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C)CC1)NC(=O)OC(C)(C)C ZINC001546007581 1066935888 /nfs/dbraw/zinc/93/58/88/1066935888.db2.gz ANSPFFNVYNRUTO-LEWJYISDSA-N 0 0 471.646 4.829 20 0 JJADRN Cc1nc2n(n1)CCN(c1nnc([C@H](C)Oc3cccc(Cl)c3)n1CCCC(C)(C)C)C2 ZINC001492762875 1066935873 /nfs/dbraw/zinc/93/58/73/1066935873.db2.gz JPLRKLXTVGOVAR-INIZCTEOSA-N 0 0 458.010 4.818 20 0 JJADRN CSc1nc(C)c(CCC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(C)n1 ZINC001457885764 1066936009 /nfs/dbraw/zinc/93/60/09/1066936009.db2.gz JOHHQFFIFSEFRK-UHFFFAOYSA-N 0 0 450.338 4.973 20 0 JJADRN C[C@H](NC(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457885015 1066936058 /nfs/dbraw/zinc/93/60/58/1066936058.db2.gz MXMNCNSLIWCZEO-NSHDSACASA-N 0 0 456.325 4.509 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001457884637 1066936095 /nfs/dbraw/zinc/93/60/95/1066936095.db2.gz HAAZICAAHKQBHE-UHFFFAOYSA-N 0 0 453.276 4.983 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N[C@H](CC3CCCC3)c3ccccc3)=NO2)C1 ZINC001546007416 1066936104 /nfs/dbraw/zinc/93/61/04/1066936104.db2.gz VWWGMHGLISHKGP-QFQXNSOFSA-N 0 0 455.599 4.970 20 0 JJADRN Cc1nnc([C@@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCCC(C)(C)C)CCO2)o1 ZINC001492764767 1066936278 /nfs/dbraw/zinc/93/62/78/1066936278.db2.gz OBBHCICWRMOCFT-NRFANRHFSA-N 0 0 468.602 4.570 20 0 JJADRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1nc(Br)sc1C1CC1 ZINC001448534555 1066936497 /nfs/dbraw/zinc/93/64/97/1066936497.db2.gz KHMKWKSYFJLADZ-NSHDSACASA-N 0 0 450.358 4.573 20 0 JJADRN C[C@@H](NC(=O)CCc1cnc2ccccc2c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457887654 1066936485 /nfs/dbraw/zinc/93/64/85/1066936485.db2.gz UYNGFQRMLTZWLX-CQSZACIVSA-N 0 0 451.324 4.857 20 0 JJADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccccc1F)C1CCC1 ZINC001457885867 1066936534 /nfs/dbraw/zinc/93/65/34/1066936534.db2.gz HTURGHUPBYHDLM-UHFFFAOYSA-N 0 0 458.599 4.514 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)c2)n1 ZINC001448535798 1066936756 /nfs/dbraw/zinc/93/67/56/1066936756.db2.gz GXQRCQXZZXGDCF-QFBILLFUSA-N 0 0 453.340 4.591 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC001448536418 1066936909 /nfs/dbraw/zinc/93/69/09/1066936909.db2.gz DOSWDDLWTKFMFY-GOSISDBHSA-N 0 0 455.368 4.899 20 0 JJADRN CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC001448537395 1066937192 /nfs/dbraw/zinc/93/71/92/1066937192.db2.gz KVLPZXDXVKVMDM-HXUWFJFHSA-N 0 0 451.430 4.621 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001448537796 1066937216 /nfs/dbraw/zinc/93/72/16/1066937216.db2.gz GCSOQPKRUVVDMZ-MRXNPFEDSA-N 0 0 457.137 4.963 20 0 JJADRN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(CC)(CC)C1)Oc1ccccc1F ZINC001546007739 1066937264 /nfs/dbraw/zinc/93/72/64/1066937264.db2.gz DMLNTVDLEZFVJT-IBGZPJMESA-N 0 0 489.661 4.509 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2c(C)noc2C)s1 ZINC001492765567 1066937316 /nfs/dbraw/zinc/93/73/16/1066937316.db2.gz KXPAHABTYWGBLD-UHFFFAOYSA-N 0 0 489.552 4.580 20 0 JJADRN CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 ZINC001448541120 1066937640 /nfs/dbraw/zinc/93/76/40/1066937640.db2.gz OLPBYGYWEZXKDU-OAHLLOKOSA-N 0 0 455.971 4.881 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC001492765747 1066937710 /nfs/dbraw/zinc/93/77/10/1066937710.db2.gz QBWNYTLRSWYRNN-CABCVRRESA-N 0 0 475.460 4.983 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)[C@H](C)C2)s1 ZINC001492765750 1066937754 /nfs/dbraw/zinc/93/77/54/1066937754.db2.gz QBWNYTLRSWYRNN-LSDHHAIUSA-N 0 0 475.460 4.983 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)s1 ZINC001492765748 1066937849 /nfs/dbraw/zinc/93/78/49/1066937849.db2.gz QBWNYTLRSWYRNN-GJZGRUSLSA-N 0 0 475.460 4.983 20 0 JJADRN CN(CC(=O)OC(C)(C)C)C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC001448541254 1066938021 /nfs/dbraw/zinc/93/80/21/1066938021.db2.gz UEVMNUZAKMEREO-FQPGVDKGSA-N 0 0 457.455 4.909 20 0 JJADRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001448542418 1066938028 /nfs/dbraw/zinc/93/80/28/1066938028.db2.gz PZFTYJFGEXAUPA-QHCPKHFHSA-N 0 0 451.592 4.553 20 0 JJADRN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)C1=O ZINC001457895888 1066938101 /nfs/dbraw/zinc/93/81/01/1066938101.db2.gz QHFUFAOENQHNDU-OFNKIYASSA-N 0 0 450.535 4.589 20 0 JJADRN Cc1nnc(CCCn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC001492765874 1066938098 /nfs/dbraw/zinc/93/80/98/1066938098.db2.gz VIHFOCJVOZBLPT-AWEZNQCLSA-N 0 0 455.538 4.608 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC001457897984 1066938364 /nfs/dbraw/zinc/93/83/64/1066938364.db2.gz JGSJBFOWNSIABU-OWHZGTRUSA-N 0 0 455.986 4.978 20 0 JJADRN Cc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1C(=O)N(C)C(C)C ZINC001448551080 1066938449 /nfs/dbraw/zinc/93/84/49/1066938449.db2.gz NSOAUWDEJWYYGK-UHFFFAOYSA-N 0 0 457.166 4.581 20 0 JJADRN COc1ccc2c(c1)oc(C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)c2-c1ccccc1 ZINC001457900198 1066938709 /nfs/dbraw/zinc/93/87/09/1066938709.db2.gz DGXZHZRKCBIPIZ-KSSFIOAISA-N 0 0 460.452 4.780 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC001492766928 1066939762 /nfs/dbraw/zinc/93/97/62/1066939762.db2.gz AATSLTRYIWRYAU-VQIMIIECSA-N 0 0 458.607 4.804 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2ccccc2F)s1 ZINC001492767102 1066939813 /nfs/dbraw/zinc/93/98/13/1066939813.db2.gz GUPONJCKFNZRDA-DENIHFKCSA-N 0 0 486.661 4.807 20 0 JJADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC001457909239 1066940142 /nfs/dbraw/zinc/94/01/42/1066940142.db2.gz NAZSWKCIPGGXPH-UHFFFAOYSA-N 0 0 454.788 4.703 20 0 JJADRN Cc1nnc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492767210 1066940202 /nfs/dbraw/zinc/94/02/02/1066940202.db2.gz KIYCUGQIRMEDIQ-LNLFQRSKSA-N 0 0 489.690 4.625 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)/C=C(\C)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001448577277 1066940294 /nfs/dbraw/zinc/94/02/94/1066940294.db2.gz GCAXTKCBKYPBHV-RQOTYCFOSA-N 0 0 453.489 4.591 20 0 JJADRN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N(C)CCCc2ccccn2)s1 ZINC001492767807 1066940934 /nfs/dbraw/zinc/94/09/34/1066940934.db2.gz DMXUKEWPNGOPHV-UHFFFAOYSA-N 0 0 498.454 4.574 20 0 JJADRN Cc1nnc(CCCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)s1 ZINC001492767778 1066940984 /nfs/dbraw/zinc/94/09/84/1066940984.db2.gz ZMZIYNJCWCBTQD-OAHLLOKOSA-N 0 0 469.565 4.532 20 0 JJADRN CNS(=O)(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)cc1 ZINC001448597876 1066940961 /nfs/dbraw/zinc/94/09/61/1066940961.db2.gz ZUYCIUFOTWNTKO-JOCHJYFZSA-N 0 0 455.605 4.652 20 0 JJADRN Cc1nc(NC(=O)Cc2cncn2Cc2ccccc2)sc1Cc1ccc(F)c(F)c1F ZINC001448610338 1066941479 /nfs/dbraw/zinc/94/14/79/1066941479.db2.gz SCMNVMYGYDGRQW-UHFFFAOYSA-N 0 0 456.493 4.886 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001457917150 1066941470 /nfs/dbraw/zinc/94/14/70/1066941470.db2.gz NFETWMKBUWMGGH-WOJBJXKFSA-N 0 0 458.624 4.523 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC001457917142 1066941556 /nfs/dbraw/zinc/94/15/56/1066941556.db2.gz NFETWMKBUWMGGH-UXHICEINSA-N 0 0 458.624 4.523 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC2CCOCC2)s1 ZINC001492768135 1066941832 /nfs/dbraw/zinc/94/18/32/1066941832.db2.gz OFACKYKEEWSAQY-UHFFFAOYSA-N 0 0 467.426 4.517 20 0 JJADRN CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)OC ZINC001546008210 1066941843 /nfs/dbraw/zinc/94/18/43/1066941843.db2.gz MLYXBVZZSPUFIB-LSWJPFSZSA-N 0 0 477.049 4.682 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(C(C)C)cc1O ZINC001448611662 1066941928 /nfs/dbraw/zinc/94/19/28/1066941928.db2.gz XAYZOXQHQCKLSY-UHFFFAOYSA-N 0 0 459.711 4.712 20 0 JJADRN C[C@H](CC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448614685 1066942002 /nfs/dbraw/zinc/94/20/02/1066942002.db2.gz RSYLXNMZLIUBFO-LZQZEXGQSA-N 0 0 452.542 4.933 20 0 JJADRN CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@H]2C1)OC ZINC001546008212 1066942051 /nfs/dbraw/zinc/94/20/51/1066942051.db2.gz MLYXBVZZSPUFIB-XKCSPQBFSA-N 0 0 477.049 4.682 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 ZINC001492768405 1066942366 /nfs/dbraw/zinc/94/23/66/1066942366.db2.gz WGVJRYJNCZUAKB-MRXNPFEDSA-N 0 0 496.616 4.510 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(I)c(Cl)c1 ZINC001448615550 1066942437 /nfs/dbraw/zinc/94/24/37/1066942437.db2.gz VZNSHQDUBZJUMF-UHFFFAOYSA-N 0 0 457.699 4.599 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001492769366 1066942595 /nfs/dbraw/zinc/94/25/95/1066942595.db2.gz BLEOJYKABTYMSU-UHFFFAOYSA-N 0 0 478.384 4.825 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)CCCCCc1ccc(O)cc1)c1ccc(Br)cc1 ZINC001457932994 1066942646 /nfs/dbraw/zinc/94/26/46/1066942646.db2.gz BTMFKANFWKHQEI-QFIPXVFZSA-N 0 0 456.384 4.897 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001492769427 1066942638 /nfs/dbraw/zinc/94/26/38/1066942638.db2.gz AJJHCWHNAHUMGB-ZDUSSCGKSA-N 0 0 497.452 4.570 20 0 JJADRN Cn1cc(-c2ccc(F)c(C(=O)N3CCC(Nc4cccc(Br)c4)CC3)c2)cn1 ZINC001448617948 1066942940 /nfs/dbraw/zinc/94/29/40/1066942940.db2.gz BQNJYPMRODPYTR-UHFFFAOYSA-N 0 0 457.347 4.705 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(C)C)C2)s1 ZINC001492769830 1066943153 /nfs/dbraw/zinc/94/31/53/1066943153.db2.gz JBVXFEOJGNDZGF-FQEVSTJZSA-N 0 0 454.644 4.749 20 0 JJADRN Cc1c(NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)cnn1C1CCCC1 ZINC001448619395 1066943361 /nfs/dbraw/zinc/94/33/61/1066943361.db2.gz GNDCJZIUYDWOJY-UHFFFAOYSA-N 0 0 456.587 4.781 20 0 JJADRN Cc1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2C[C@@H](C)CC[C@H]2C)s1 ZINC001492771078 1066943551 /nfs/dbraw/zinc/94/35/51/1066943551.db2.gz JJOCIGLTEXBQSL-NWDGAFQWSA-N 0 0 465.396 4.680 20 0 JJADRN O=C(CCc1nc(-c2ccccc2)no1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001448621143 1066943765 /nfs/dbraw/zinc/94/37/65/1066943765.db2.gz KONVHXPPFXTHCZ-UHFFFAOYSA-N 0 0 455.356 4.535 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001546095242 1066944164 /nfs/dbraw/zinc/94/41/64/1066944164.db2.gz JFRPAFMRLCNEHU-FMNCTDSISA-N 0 0 462.585 4.604 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CC(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)CCO1 ZINC001546095214 1066944363 /nfs/dbraw/zinc/94/43/63/1066944363.db2.gz ISDZHRBLHCVKED-VWLOTQADSA-N 0 0 453.562 4.857 20 0 JJADRN Cc1nnc(SCc2c3ccccc3oc2C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)s1 ZINC001457941590 1066944767 /nfs/dbraw/zinc/94/47/67/1066944767.db2.gz XRUJBQQDJRRKEZ-YBTHPKLGSA-N 0 0 453.536 4.770 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCc2ccccc2F)s1 ZINC001492772122 1066944791 /nfs/dbraw/zinc/94/47/91/1066944791.db2.gz YOTADQDUGBFCPE-UHFFFAOYSA-N 0 0 493.431 4.795 20 0 JJADRN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001457944478 1066945209 /nfs/dbraw/zinc/94/52/09/1066945209.db2.gz WYTRRKUESAUUHH-ZPJKGSQLSA-N 0 0 453.391 4.665 20 0 JJADRN CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC001448629445 1066945220 /nfs/dbraw/zinc/94/52/20/1066945220.db2.gz ISCGPCOUKSWSCS-IBGZPJMESA-N 0 0 456.930 4.944 20 0 JJADRN Cc1nnc(Cn2c(CC(C)(C)C)nnc2N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)s1 ZINC001492773159 1066945229 /nfs/dbraw/zinc/94/52/29/1066945229.db2.gz XNNMXCRCZGOIJO-UHFFFAOYSA-N 0 0 485.061 4.669 20 0 JJADRN CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n1 ZINC001448636655 1066945877 /nfs/dbraw/zinc/94/58/77/1066945877.db2.gz WIWOMXQWZUNRDR-FQEVSTJZSA-N 0 0 452.580 4.791 20 0 JJADRN O=C(NC[C@H](CO)CC1CCOCC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001448636909 1066945999 /nfs/dbraw/zinc/94/59/99/1066945999.db2.gz UCJVKHJDHGJWLJ-VGSWGCGISA-N 0 0 452.378 4.655 20 0 JJADRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001457949740 1066946267 /nfs/dbraw/zinc/94/62/67/1066946267.db2.gz CLQMHVPZRSRIHJ-SFHVURJKSA-N 0 0 459.587 4.550 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c2ccccc12 ZINC001457948572 1066946311 /nfs/dbraw/zinc/94/63/11/1066946311.db2.gz LSTUGRSGKLYRBB-FQEVSTJZSA-N 0 0 458.555 4.660 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc12 ZINC001457949443 1066946386 /nfs/dbraw/zinc/94/63/86/1066946386.db2.gz OGRZIZRGPYMMKA-UHFFFAOYSA-N 0 0 458.470 4.798 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001448648187 1066946335 /nfs/dbraw/zinc/94/63/35/1066946335.db2.gz KWQCNLOCVYFLBP-SFHVURJKSA-N 0 0 458.942 4.910 20 0 JJADRN Cc1ccc(-c2cccc(CNC(=O)C3([C@H](C)NC(=O)OC(C)(C)C)CCOCC3)c2)cc1 ZINC001457948684 1066946416 /nfs/dbraw/zinc/94/64/16/1066946416.db2.gz DZMIYWRFMRTVHE-FQEVSTJZSA-N 0 0 452.595 4.988 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(O[C@@H](C)CC(C)C)c1 ZINC001457951221 1066946731 /nfs/dbraw/zinc/94/67/31/1066946731.db2.gz YURCAMSCYVDNAH-YADARESESA-N 0 0 450.579 4.745 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492780588 1066947605 /nfs/dbraw/zinc/94/76/05/1066947605.db2.gz UFUVXKNXFSSZAZ-ZDUSSCGKSA-N 0 0 472.453 4.550 20 0 JJADRN Cc1cc([C@H](CC(=O)N[C@@H]2CCOC3(CCCC3)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001457954057 1066947691 /nfs/dbraw/zinc/94/76/91/1066947691.db2.gz MSLDIFPLFSFTNC-MSOLQXFVSA-N 0 0 451.995 4.607 20 0 JJADRN Cc1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001492780587 1066947689 /nfs/dbraw/zinc/94/76/89/1066947689.db2.gz UFUVXKNXFSSZAZ-CYBMUJFWSA-N 0 0 472.453 4.550 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)c2)n1 ZINC001457955129 1066948082 /nfs/dbraw/zinc/94/80/82/1066948082.db2.gz NOMYJKZDHWMTEN-IAGOWNOFSA-N 0 0 453.564 4.569 20 0 JJADRN Cc1nnc(N(C)Cc2cccc(Br)c2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001492781426 1066948094 /nfs/dbraw/zinc/94/80/94/1066948094.db2.gz XWNBTKXLATWNJQ-UHFFFAOYSA-N 0 0 480.197 4.988 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)nc(NC3CC3)c2)c(Br)c1 ZINC001448671738 1066948055 /nfs/dbraw/zinc/94/80/55/1066948055.db2.gz PSNKIGDDIYSJEJ-FQEVSTJZSA-N 0 0 458.400 4.857 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC001457959362 1066948816 /nfs/dbraw/zinc/94/88/16/1066948816.db2.gz XTKQIHJTZKIHGO-NRFANRHFSA-N 0 0 456.608 4.514 20 0 JJADRN CCCc1c(NC(=O)c2cnn(Cc3ccccc3)c2)cnn1-c1cc(F)c(OC)cc1F ZINC001448674671 1066949127 /nfs/dbraw/zinc/94/91/27/1066949127.db2.gz MGWGLWUVHPGGTI-UHFFFAOYSA-N 0 0 451.477 4.609 20 0 JJADRN O=C(CCc1cccc(OCc2ccccc2)c1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001457962448 1066949255 /nfs/dbraw/zinc/94/92/55/1066949255.db2.gz BBRJOLDVPVKYDG-SANMLTNESA-N 0 0 456.586 4.548 20 0 JJADRN CCCc1c(NC(=O)c2cnc(-c3ccccn3)s2)cnn1-c1cc(F)c(OC)cc1F ZINC001448678294 1066949554 /nfs/dbraw/zinc/94/95/54/1066949554.db2.gz SKLUJCWBVOQNRS-UHFFFAOYSA-N 0 0 455.490 4.882 20 0 JJADRN Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492788547 1066949950 /nfs/dbraw/zinc/94/99/50/1066949950.db2.gz UHBVGHIPBWNVMQ-JOCHJYFZSA-N 0 0 453.562 4.532 20 0 JJADRN Cc1ccnc(-n2nccc2NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 ZINC001457970851 1066950165 /nfs/dbraw/zinc/95/01/65/1066950165.db2.gz UVFZJGRMQMHMIH-UHFFFAOYSA-N 0 0 453.296 4.763 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC001457975170 1066950178 /nfs/dbraw/zinc/95/01/78/1066950178.db2.gz BIQVDYIOGHTGSO-UHFFFAOYSA-N 0 0 450.560 4.965 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001492790483 1066950341 /nfs/dbraw/zinc/95/03/41/1066950341.db2.gz HONDPKXKIGSKAK-WIYYLYMNSA-N 0 0 491.455 4.577 20 0 JJADRN C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001448681229 1066950525 /nfs/dbraw/zinc/95/05/25/1066950525.db2.gz SWMIDQSCBVRXFC-SFHVURJKSA-N 0 0 453.404 4.970 20 0 JJADRN O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CCC(OCc2ccccc2F)CC1 ZINC001457978656 1066950676 /nfs/dbraw/zinc/95/06/76/1066950676.db2.gz KYGXIAIYUKGOPY-UHFFFAOYSA-N 0 0 458.331 4.595 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2nc(C)cs2)CCO1 ZINC001546095557 1066950686 /nfs/dbraw/zinc/95/06/86/1066950686.db2.gz OZJSEDBLCYQGDE-CMJOXMDJSA-N 0 0 461.582 4.721 20 0 JJADRN O=C(Nc1ccc2cccc(Br)c2n1)c1ccc2cncc(Br)c2n1 ZINC001457980240 1066951208 /nfs/dbraw/zinc/95/12/08/1066951208.db2.gz KWUWLKASZWFLBM-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC001457981877 1066951415 /nfs/dbraw/zinc/95/14/15/1066951415.db2.gz KDPJVKDTBGDCGG-UHFFFAOYSA-N 0 0 453.560 4.557 20 0 JJADRN O=C(NCCc1sccc1Br)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC001457982840 1066951482 /nfs/dbraw/zinc/95/14/82/1066951482.db2.gz XPGNEJPAEXERNS-UHFFFAOYSA-N 0 0 456.365 4.710 20 0 JJADRN O=C(Nc1ccc2cccc(Br)c2n1)c1cc(Br)c2nccnc2c1 ZINC001457981990 1066951608 /nfs/dbraw/zinc/95/16/08/1066951608.db2.gz NRARXYKBSGPHRQ-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN Cc1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001492798628 1066951733 /nfs/dbraw/zinc/95/17/33/1066951733.db2.gz JGCMWQUOPLGZFC-SJLPKXTDSA-N 0 0 455.628 4.783 20 0 JJADRN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC001448689326 1066951736 /nfs/dbraw/zinc/95/17/36/1066951736.db2.gz JHTZERNIRJQVCH-LLVKDONJSA-N 0 0 458.301 4.791 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCc1ccc(Br)cc1 ZINC001492798353 1066951862 /nfs/dbraw/zinc/95/18/62/1066951862.db2.gz DZEKOEMRZSMHNA-UHFFFAOYSA-N 0 0 471.243 4.913 20 0 JJADRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001448689225 1066951793 /nfs/dbraw/zinc/95/17/93/1066951793.db2.gz VKKFXXCGLFJFOP-XMSQKQJNSA-N 0 0 454.615 4.601 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCC3)c2C)cc1 ZINC001457984804 1066951911 /nfs/dbraw/zinc/95/19/11/1066951911.db2.gz PZINUCQMAYATTO-UHFFFAOYSA-N 0 0 459.377 4.802 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC001448689690 1066952089 /nfs/dbraw/zinc/95/20/89/1066952089.db2.gz XCEHFERHKDFQGC-UHFFFAOYSA-N 0 0 450.579 4.793 20 0 JJADRN Cc1c2nc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)sc2ccc1F ZINC001457985469 1066952355 /nfs/dbraw/zinc/95/23/55/1066952355.db2.gz SQNHJDQNEKRBQW-UHFFFAOYSA-N 0 0 456.812 4.644 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1Br ZINC001457986929 1066952479 /nfs/dbraw/zinc/95/24/79/1066952479.db2.gz WXRPLZFNGDSESF-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCc2ccc(OC(C)(C)C)cc2)cc1 ZINC001546009036 1066952555 /nfs/dbraw/zinc/95/25/55/1066952555.db2.gz CSQNOSFOWMRWIL-DEOSSOPVSA-N 0 0 453.627 4.745 20 0 JJADRN Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001492799435 1066952628 /nfs/dbraw/zinc/95/26/28/1066952628.db2.gz DTQYSHVCDRUFDT-QFIPXVFZSA-N 0 0 490.048 4.589 20 0 JJADRN C[C@@H](NC(=O)c1cc(F)cc(I)c1N)c1ccc(Cl)cc1Cl ZINC001448699571 1066952615 /nfs/dbraw/zinc/95/26/15/1066952615.db2.gz XAYTUFQISQKBMY-SSDOTTSWSA-N 0 0 453.082 4.810 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CCO1 ZINC001546095766 1066952698 /nfs/dbraw/zinc/95/26/98/1066952698.db2.gz UAARRKACEKUYRO-BKMJKUGQSA-N 0 0 451.590 4.848 20 0 JJADRN COc1cccc(COc2cccc(NC(=O)c3cc(N4CCOC4=O)ccc3F)c2C)c1 ZINC001457988007 1066952759 /nfs/dbraw/zinc/95/27/59/1066952759.db2.gz XAWAOGMTZDIFCC-UHFFFAOYSA-N 0 0 450.466 4.931 20 0 JJADRN C[C@]1(C(=O)Nc2ccc3cccc(Br)c3n2)CCCN(C(=O)c2ccccc2)C1 ZINC001457987877 1066952938 /nfs/dbraw/zinc/95/29/38/1066952938.db2.gz YBYXOMDOPNIRNH-QHCPKHFHSA-N 0 0 452.352 4.878 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC001448719634 1066953170 /nfs/dbraw/zinc/95/31/70/1066953170.db2.gz LTCKLIJAHAXDCO-ISJGIBHGSA-N 0 0 455.620 4.515 20 0 JJADRN COc1ccccc1COC1CCN(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC001457989391 1066953301 /nfs/dbraw/zinc/95/33/01/1066953301.db2.gz SGZSJHKOAPAIPJ-UHFFFAOYSA-N 0 0 454.473 4.982 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC001448720811 1066953522 /nfs/dbraw/zinc/95/35/22/1066953522.db2.gz JZHTVRFZSRRSSN-UHFFFAOYSA-N 0 0 451.280 4.650 20 0 JJADRN O=C(Cc1ccc(Br)c(Br)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001448724515 1066953871 /nfs/dbraw/zinc/95/38/71/1066953871.db2.gz UMGPEXLTXUKHTP-QGTPRVQTSA-N 0 0 459.222 4.686 20 0 JJADRN Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001492804873 1066953946 /nfs/dbraw/zinc/95/39/46/1066953946.db2.gz SCVGZKHQUBPLFI-PKOBYXMFSA-N 0 0 485.526 4.901 20 0 JJADRN Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001492804872 1066953978 /nfs/dbraw/zinc/95/39/78/1066953978.db2.gz SCVGZKHQUBPLFI-MJGOQNOKSA-N 0 0 485.526 4.901 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCc1cc2ccccc2[nH]1 ZINC001492804632 1066954019 /nfs/dbraw/zinc/95/40/19/1066954019.db2.gz MEDAGJBPNFEKKL-UHFFFAOYSA-N 0 0 466.630 4.784 20 0 JJADRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001457993505 1066954173 /nfs/dbraw/zinc/95/41/73/1066954173.db2.gz FUCNBANHOHJUJZ-KSSFIOAISA-N 0 0 457.958 4.820 20 0 JJADRN Cc1c(Br)cccc1CCNC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC001457996125 1066954214 /nfs/dbraw/zinc/95/42/14/1066954214.db2.gz PQVHZTLWICXDIG-UHFFFAOYSA-N 0 0 455.381 4.590 20 0 JJADRN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1OC(C)C ZINC001448728850 1066954414 /nfs/dbraw/zinc/95/44/14/1066954414.db2.gz OIRYYVZWJWEKJV-XMMPIXPASA-N 0 0 454.592 4.877 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCO[C@H]3C3CC3)c2)cc1 ZINC001457998243 1066954532 /nfs/dbraw/zinc/95/45/32/1066954532.db2.gz ROXGCUHDUOZDRE-PKTZIBPZSA-N 0 0 477.026 4.781 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001457996895 1066954581 /nfs/dbraw/zinc/95/45/81/1066954581.db2.gz QOKXTASIFJYYIP-WSTZPKSXSA-N 0 0 453.341 4.726 20 0 JJADRN Cc1nc(Cl)ccc1NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C ZINC001448731548 1066954770 /nfs/dbraw/zinc/95/47/70/1066954770.db2.gz QUOAKNCCJVPXOA-CYBMUJFWSA-N 0 0 457.880 4.925 20 0 JJADRN C[C@@](NC(=O)c1cc(Br)ncc1Br)(c1ccccc1)C(F)(F)F ZINC001457998813 1066955138 /nfs/dbraw/zinc/95/51/38/1066955138.db2.gz FQTJWSAJRUDROB-CQSZACIVSA-N 0 0 452.068 4.814 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@H]2C[C@H]21 ZINC001546009357 1066955754 /nfs/dbraw/zinc/95/57/54/1066955754.db2.gz MGMCUPWVPJKEMG-XUWVNRHRSA-N 0 0 455.418 4.551 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2o1 ZINC001492838042 1066955813 /nfs/dbraw/zinc/95/58/13/1066955813.db2.gz LESJNJFQXZYKTE-XLIONFOSSA-N 0 0 453.587 4.705 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1ccc(F)cc1 ZINC001492837215 1066955874 /nfs/dbraw/zinc/95/58/74/1066955874.db2.gz FQAZCKHUFODCPR-IEBWSBKVSA-N 0 0 459.610 4.833 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2o1 ZINC001492838044 1066955922 /nfs/dbraw/zinc/95/59/22/1066955922.db2.gz LESJNJFQXZYKTE-YLJYHZDGSA-N 0 0 453.587 4.705 20 0 JJADRN COC(=O)c1sc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)nc1C1CC1 ZINC001458001819 1066955930 /nfs/dbraw/zinc/95/59/30/1066955930.db2.gz RCQNLKGEFMPFJX-UHFFFAOYSA-N 0 0 451.335 4.860 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1sc2cc(Cl)ccc2c1Cl)Cc1ccccc1OC ZINC001546009376 1066955872 /nfs/dbraw/zinc/95/58/72/1066955872.db2.gz MTKDFDGHJTVTEI-CYBMUJFWSA-N 0 0 452.359 4.978 20 0 JJADRN C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cn1 ZINC001448753743 1066955918 /nfs/dbraw/zinc/95/59/18/1066955918.db2.gz POFAYPUNBXRFHN-SECBINFHSA-N 0 0 451.674 4.591 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1Br ZINC001448772722 1066956164 /nfs/dbraw/zinc/95/61/64/1066956164.db2.gz AOXJHISNMVAWDO-GOSISDBHSA-N 0 0 459.319 4.755 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492838671 1066956221 /nfs/dbraw/zinc/95/62/21/1066956221.db2.gz OPVYPOOQAMZTPK-UGKGYDQZSA-N 0 0 498.672 4.871 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC001458009728 1066956233 /nfs/dbraw/zinc/95/62/33/1066956233.db2.gz DNMSDJQTORZUOJ-OAQYLSRUSA-N 0 0 456.589 4.573 20 0 JJADRN Cc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001448781174 1066956994 /nfs/dbraw/zinc/95/69/94/1066956994.db2.gz VLZPNASKKMPPPA-GGAORHGYSA-N 0 0 458.643 4.564 20 0 JJADRN CCc1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cnn1-c1ccc(OC)cc1 ZINC001448783961 1066957493 /nfs/dbraw/zinc/95/74/93/1066957493.db2.gz ZZAPLTPTBNWFKE-MRXNPFEDSA-N 0 0 459.377 4.759 20 0 JJADRN Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492847894 1066957591 /nfs/dbraw/zinc/95/75/91/1066957591.db2.gz LOOAENJAKBNSSG-LJQANCHMSA-N 0 0 477.650 4.742 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001492847716 1066957784 /nfs/dbraw/zinc/95/77/84/1066957784.db2.gz KYGFQQLHJXVXBE-QFIPXVFZSA-N 0 0 498.672 4.703 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCc3ccccc3Br)cc2C1 ZINC001448793553 1066957911 /nfs/dbraw/zinc/95/79/11/1066957911.db2.gz KCDMIWQLQBDKJN-UHFFFAOYSA-N 0 0 459.384 4.715 20 0 JJADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001492851850 1066958836 /nfs/dbraw/zinc/95/88/36/1066958836.db2.gz LIOYWPSXIXHZKM-VQIMIIECSA-N 0 0 481.954 4.600 20 0 JJADRN Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1CCOc1ccccc1C(C)C ZINC001492851695 1066958904 /nfs/dbraw/zinc/95/89/04/1066958904.db2.gz IFBINWHXBZKDIN-GOSISDBHSA-N 0 0 462.520 4.846 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCCc1cccc(F)c1 ZINC001492852839 1066958989 /nfs/dbraw/zinc/95/89/89/1066958989.db2.gz VTOOTVFOJMEJJD-FQEVSTJZSA-N 0 0 481.563 4.829 20 0 JJADRN COCCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)[C@@H]1CC[C@@H](C)C1 ZINC001448810088 1066958948 /nfs/dbraw/zinc/95/89/48/1066958948.db2.gz VRXFFSNVNSMCBZ-SJLPKXTDSA-N 0 0 451.633 4.535 20 0 JJADRN CC(C)(C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2)c1csc(-c2cc(F)ccc2F)n1 ZINC001448807953 1066959010 /nfs/dbraw/zinc/95/90/10/1066959010.db2.gz CTADTYYGTPVSJY-UHFFFAOYSA-N 0 0 456.518 4.836 20 0 JJADRN CSc1nc(C(=O)N2CCOc3c(Cl)cc(Br)cc3C2)c2ccccn21 ZINC001458035751 1066958976 /nfs/dbraw/zinc/95/89/76/1066958976.db2.gz HXAHKQNOGAXKDT-UHFFFAOYSA-N 0 0 452.761 4.507 20 0 JJADRN CCNC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)nc2ccccc21 ZINC001458034785 1066959004 /nfs/dbraw/zinc/95/90/04/1066959004.db2.gz RMVSBQRWSHBMHK-UHFFFAOYSA-N 0 0 458.543 4.859 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001458036439 1066959077 /nfs/dbraw/zinc/95/90/77/1066959077.db2.gz WXLZYWQNDYBUDW-OAQYLSRUSA-N 0 0 457.534 4.699 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC001458035450 1066959085 /nfs/dbraw/zinc/95/90/85/1066959085.db2.gz VLFCBWFHRNQOPU-UHFFFAOYSA-N 0 0 453.542 4.924 20 0 JJADRN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1 ZINC001458036133 1066959133 /nfs/dbraw/zinc/95/91/33/1066959133.db2.gz ZAAISOQNIRYWJQ-UHFFFAOYSA-N 0 0 454.958 4.534 20 0 JJADRN Cc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)C2=O)cc1 ZINC001448819150 1066959509 /nfs/dbraw/zinc/95/95/09/1066959509.db2.gz QHPHNBQZLOWPCI-NRFANRHFSA-N 0 0 453.464 4.607 20 0 JJADRN CC(C)Cc1ncc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC001448811553 1066959547 /nfs/dbraw/zinc/95/95/47/1066959547.db2.gz FHWZCHYYTZDUMT-UHFFFAOYSA-N 0 0 458.562 4.931 20 0 JJADRN CC(C)Cc1ncc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cn1 ZINC001448815047 1066959585 /nfs/dbraw/zinc/95/95/85/1066959585.db2.gz JLJOUULEHPEXBZ-UHFFFAOYSA-N 0 0 453.340 4.942 20 0 JJADRN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001458042223 1066959557 /nfs/dbraw/zinc/95/95/57/1066959557.db2.gz PORVIBAHNFIIKB-CQSZACIVSA-N 0 0 459.461 4.937 20 0 JJADRN Cc1nnc(N2CCC[C@H]2c2nc3ccccc3s2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001492862719 1066959489 /nfs/dbraw/zinc/95/94/89/1066959489.db2.gz LNNGYWJOVPUFTQ-SFHVURJKSA-N 0 0 456.616 4.795 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)OC ZINC001546009862 1066959995 /nfs/dbraw/zinc/95/99/95/1066959995.db2.gz APXMPJYCJWZQFB-XMMPIXPASA-N 0 0 480.657 4.629 20 0 JJADRN Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001492902835 1066959984 /nfs/dbraw/zinc/95/99/84/1066959984.db2.gz YHWXVKXJRJLESY-LAUBAEHRSA-N 0 0 451.537 4.527 20 0 JJADRN Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCc1ccc(Br)s1 ZINC001492898474 1066960007 /nfs/dbraw/zinc/96/00/07/1066960007.db2.gz LNQXUVGUWQRZOF-AWEZNQCLSA-N 0 0 496.425 4.815 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC001458045896 1066960406 /nfs/dbraw/zinc/96/04/06/1066960406.db2.gz ZRVNKERIFUSNHS-FUHWJXTLSA-N 0 0 455.498 4.719 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1Cc1nc(C(C)C)cs1 ZINC001492942151 1066960722 /nfs/dbraw/zinc/96/07/22/1066960722.db2.gz KTAGLGJOAHGABV-SFHVURJKSA-N 0 0 462.417 4.555 20 0 JJADRN CC(C)(NC(=O)Cc1ccc(I)cc1)c1ccccc1Br ZINC001458047823 1066960861 /nfs/dbraw/zinc/96/08/61/1066960861.db2.gz KIAKHFOUWATPKI-UHFFFAOYSA-N 0 0 458.137 4.648 20 0 JJADRN C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458050867 1066961117 /nfs/dbraw/zinc/96/11/17/1066961117.db2.gz YPTDWNWKHADOQR-NSHDSACASA-N 0 0 451.283 4.761 20 0 JJADRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC001458052889 1066961598 /nfs/dbraw/zinc/96/15/98/1066961598.db2.gz VELYSQBCOYWWRG-JYJNAYRXSA-N 0 0 456.530 4.704 20 0 JJADRN CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001458051625 1066961630 /nfs/dbraw/zinc/96/16/30/1066961630.db2.gz DLLXYPXJIOMMTI-UHFFFAOYSA-N 0 0 450.438 4.573 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001458051760 1066961684 /nfs/dbraw/zinc/96/16/84/1066961684.db2.gz FLSQCVVQZDTWQD-PXAZEXFGSA-N 0 0 458.274 4.944 20 0 JJADRN O=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N1CCOc2c(Br)cccc2C1 ZINC001448837136 1066961631 /nfs/dbraw/zinc/96/16/31/1066961631.db2.gz XLASCTOCQCBXLG-UHFFFAOYSA-N 0 0 459.727 4.905 20 0 JJADRN CCc1c(NC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)cnn1C(CC)CC ZINC001448838735 1066961756 /nfs/dbraw/zinc/96/17/56/1066961756.db2.gz PIAKWQQOIDZPLG-NLFFAJNJSA-N 0 0 456.587 4.561 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc(OC(F)F)cc1F ZINC001448841614 1066962150 /nfs/dbraw/zinc/96/21/50/1066962150.db2.gz CKMOHUDQEWEWRK-UHFFFAOYSA-N 0 0 452.473 4.984 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001492955737 1066962296 /nfs/dbraw/zinc/96/22/96/1066962296.db2.gz NCTGPSRZYIGQGJ-KXBFYZLASA-N 0 0 459.591 4.525 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001545695137 1066962512 /nfs/dbraw/zinc/96/25/12/1066962512.db2.gz HFKSIRDUBZMMTL-BJKOFHAPSA-N 0 0 452.551 4.609 20 0 JJADRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001448844411 1066962948 /nfs/dbraw/zinc/96/29/48/1066962948.db2.gz HDHIKWSOXBICOY-FQEVSTJZSA-N 0 0 458.986 4.835 20 0 JJADRN CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001448846787 1066963349 /nfs/dbraw/zinc/96/33/49/1066963349.db2.gz PQZYFJSVEPJCKM-YOEHRIQHSA-N 0 0 455.393 4.754 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(C)(C)C ZINC001545697734 1066963502 /nfs/dbraw/zinc/96/35/02/1066963502.db2.gz VOBNVHNHNSRIEY-HXUWFJFHSA-N 0 0 457.546 4.634 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1nc(C(F)(F)F)n2ccccc12 ZINC001545697859 1066963514 /nfs/dbraw/zinc/96/35/14/1066963514.db2.gz ZFKYMRVNFZARKN-UHFFFAOYSA-N 0 0 456.399 4.675 20 0 JJADRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC001545697629 1066963556 /nfs/dbraw/zinc/96/35/56/1066963556.db2.gz RPNOXVVGKMBYKF-OAHLLOKOSA-N 0 0 451.415 4.582 20 0 JJADRN CCCCn1ncc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)c1C(C)C ZINC001448850698 1066963794 /nfs/dbraw/zinc/96/37/94/1066963794.db2.gz OYFIAOQYTKODCK-UHFFFAOYSA-N 0 0 455.584 4.711 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001545699590 1066964044 /nfs/dbraw/zinc/96/40/44/1066964044.db2.gz YXHCNIZMWUXVSQ-HKUYNNGSSA-N 0 0 488.702 4.572 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CCC(=O)NCCc2csc(-c3ccccc3)n2)s1 ZINC001545699750 1066964355 /nfs/dbraw/zinc/96/43/55/1066964355.db2.gz CFNGGCKCZXIYMT-UHFFFAOYSA-N 0 0 458.609 4.905 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCCCC2)C1 ZINC001545701555 1066964368 /nfs/dbraw/zinc/96/43/68/1066964368.db2.gz MCFDPEWGMVBAKB-SFHVURJKSA-N 0 0 491.652 4.708 20 0 JJADRN CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC001448855285 1066964816 /nfs/dbraw/zinc/96/48/16/1066964816.db2.gz HFWKFCAERFEKLK-AUMHUTNHSA-N 0 0 454.617 4.966 20 0 JJADRN CCN(C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702582 1066965097 /nfs/dbraw/zinc/96/50/97/1066965097.db2.gz HXTBZOVUFVUSHD-QGZVFWFLSA-N 0 0 457.534 4.575 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F ZINC001448863842 1066965281 /nfs/dbraw/zinc/96/52/81/1066965281.db2.gz FSRPOSPRCQEZFU-VGOFRKELSA-N 0 0 459.537 4.563 20 0 JJADRN COCCn1c(=O)c2ccc(Cl)cc2nc1Sc1ccc(C(F)(F)F)c(Cl)n1 ZINC001458063907 1066965287 /nfs/dbraw/zinc/96/52/87/1066965287.db2.gz ZHRUVNBYHKHNGG-UHFFFAOYSA-N 0 0 450.269 4.915 20 0 JJADRN CC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)OC ZINC001546010126 1066965438 /nfs/dbraw/zinc/96/54/38/1066965438.db2.gz GIXDDOSHRVAIBN-UXHICEINSA-N 0 0 497.606 4.787 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCC(C)CC1 ZINC001545703438 1066965533 /nfs/dbraw/zinc/96/55/33/1066965533.db2.gz GMEMQUHRRUVWIA-OBXNSHGQSA-N 0 0 450.631 4.670 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)[C@H](C)n3cnc4c3ncnc4N)c2)cc1 ZINC001545702998 1066965567 /nfs/dbraw/zinc/96/55/67/1066965567.db2.gz WBKCOVBZROBARC-ROUUACIJSA-N 0 0 458.566 4.643 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)nc1C(C)C ZINC001458067077 1066965690 /nfs/dbraw/zinc/96/56/90/1066965690.db2.gz KLRJXDQLQPEOBD-CVEARBPZSA-N 0 0 457.596 4.948 20 0 JJADRN FC(F)(F)Oc1ccc(Nc2nnc(Sc3ncncc3Br)s2)cc1 ZINC001458066753 1066965770 /nfs/dbraw/zinc/96/57/70/1066965770.db2.gz DGFJFWYRTBLOGF-UHFFFAOYSA-N 0 0 450.265 4.884 20 0 JJADRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC001458066081 1066965792 /nfs/dbraw/zinc/96/57/92/1066965792.db2.gz COGHMYJXUNXQRL-LBPRGKRZSA-N 0 0 458.486 4.545 20 0 JJADRN CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)nc1C(C)C ZINC001458067079 1066965824 /nfs/dbraw/zinc/96/58/24/1066965824.db2.gz KLRJXDQLQPEOBD-HOTGVXAUSA-N 0 0 457.596 4.948 20 0 JJADRN NC(=O)N[C@H](CC(=O)NCc1cc(F)c(Cl)cc1F)c1cccc(Oc2ccccc2)c1 ZINC001448869229 1066965925 /nfs/dbraw/zinc/96/59/25/1066965925.db2.gz QTWIEZWMJGDSJO-OAQYLSRUSA-N 0 0 459.880 4.826 20 0 JJADRN CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001448873139 1066965972 /nfs/dbraw/zinc/96/59/72/1066965972.db2.gz WWSPMDGBOCGBRQ-UHFFFAOYSA-N 0 0 450.966 4.754 20 0 JJADRN COC(=O)c1sc(N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)nc1Cl ZINC001458067896 1066966127 /nfs/dbraw/zinc/96/61/27/1066966127.db2.gz INAUATBXTOEXFC-UHFFFAOYSA-N 0 0 451.976 4.773 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N2CCC(Oc3ncccc3C)CC2)c2ccccc2)cc1 ZINC001448877023 1066966290 /nfs/dbraw/zinc/96/62/90/1066966290.db2.gz UEJKKDLJGKKSFG-RUZDIDTESA-N 0 0 457.574 4.630 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001545705510 1066966317 /nfs/dbraw/zinc/96/63/17/1066966317.db2.gz BMCYVTJCSMAJOA-FXAWDEMLSA-N 0 0 471.602 4.704 20 0 JJADRN CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 ZINC001546010241 1066966389 /nfs/dbraw/zinc/96/63/89/1066966389.db2.gz IPTWROLTPFSZQS-IBVKSMDESA-N 0 0 481.666 4.859 20 0 JJADRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001448878894 1066966472 /nfs/dbraw/zinc/96/64/72/1066966472.db2.gz AEXHLWFJTKOJJT-NSHDSACASA-N 0 0 459.243 4.892 20 0 JJADRN Cc1ccc(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(OC(C)(C)C)c1 ZINC001545705027 1066966381 /nfs/dbraw/zinc/96/63/81/1066966381.db2.gz PKNDTLNKIHJYAT-IBGZPJMESA-N 0 0 459.384 4.604 20 0 JJADRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001458069848 1066966413 /nfs/dbraw/zinc/96/64/13/1066966413.db2.gz NYFLRCGOVQRRSQ-LLVKDONJSA-N 0 0 452.274 4.628 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458069904 1066966499 /nfs/dbraw/zinc/96/64/99/1066966499.db2.gz BDFSUXRPEOFPOJ-JWQCQUIFSA-N 0 0 453.546 4.637 20 0 JJADRN CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001458069030 1066966523 /nfs/dbraw/zinc/96/65/23/1066966523.db2.gz MEYRWUGUQHLVTN-RISCZKNCSA-N 0 0 453.255 4.846 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)cc2)cc1 ZINC001458069152 1066966533 /nfs/dbraw/zinc/96/65/33/1066966533.db2.gz FOGSVKFECMUTOR-QFIPXVFZSA-N 0 0 454.567 4.792 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001458069851 1066966544 /nfs/dbraw/zinc/96/65/44/1066966544.db2.gz NYFLRCGOVQRRSQ-NSHDSACASA-N 0 0 452.274 4.628 20 0 JJADRN CS(C)(=O)=Nc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 ZINC001448884212 1066966670 /nfs/dbraw/zinc/96/66/70/1066966670.db2.gz DZSQLOZCRJVRMN-LJQANCHMSA-N 0 0 450.402 4.525 20 0 JJADRN CC(C)(C)[C@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)CCO1 ZINC001448882086 1066966725 /nfs/dbraw/zinc/96/67/25/1066966725.db2.gz ACQRUYWGJCZBRY-UXHICEINSA-N 0 0 450.348 4.982 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001545705567 1066966793 /nfs/dbraw/zinc/96/67/93/1066966793.db2.gz CCHPJDMYVGURES-SFHVURJKSA-N 0 0 461.701 4.515 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCSC(C)(C)C1 ZINC001545705566 1066966829 /nfs/dbraw/zinc/96/68/29/1066966829.db2.gz CCHPJDMYVGURES-GOSISDBHSA-N 0 0 461.701 4.515 20 0 JJADRN CC[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458071210 1066966920 /nfs/dbraw/zinc/96/69/20/1066966920.db2.gz BZXUFILXQYCBBE-LOSJGSFVSA-N 0 0 453.546 4.637 20 0 JJADRN CCCCCn1nc(C(=O)Nc2nc(C(C)C)c(C(=O)OCC)s2)c2ccccc2c1=O ZINC001458071228 1066967003 /nfs/dbraw/zinc/96/70/03/1066967003.db2.gz ZNPZUTNXCUHGKM-UHFFFAOYSA-N 0 0 456.568 4.596 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001545705634 1066967212 /nfs/dbraw/zinc/96/72/12/1066967212.db2.gz DHCJNVKTCRCMOE-DYESRHJHSA-N 0 0 460.022 4.584 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(F)c1 ZINC001458072208 1066967298 /nfs/dbraw/zinc/96/72/98/1066967298.db2.gz BRCRZBVGAUZMSA-SFHVURJKSA-N 0 0 453.322 4.829 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001545706228 1066967634 /nfs/dbraw/zinc/96/76/34/1066967634.db2.gz OBUHPSOQNVXDQS-FQEVSTJZSA-N 0 0 462.642 4.769 20 0 JJADRN C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001448895358 1066967960 /nfs/dbraw/zinc/96/79/60/1066967960.db2.gz PNLCAHYDODXURH-APWZRJJASA-N 0 0 458.484 4.719 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC001458076712 1066968476 /nfs/dbraw/zinc/96/84/76/1066968476.db2.gz PTXHHSJIWKRHLV-UHFFFAOYSA-N 0 0 453.707 4.883 20 0 JJADRN CC(C)c1nc(Sc2nc3ccccc3c(=O)n2CCC2=CCCCC2)nc(N(C)C)n1 ZINC001458078429 1066968868 /nfs/dbraw/zinc/96/88/68/1066968868.db2.gz ILXYBNMFZNBLPJ-UHFFFAOYSA-N 0 0 450.612 4.813 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C ZINC001545708258 1066968983 /nfs/dbraw/zinc/96/89/83/1066968983.db2.gz FTIVTIBFZWEZPP-JDCWHPJTSA-N 0 0 467.658 4.625 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(N2CCC[C@@H]2c2nc3ccccc3s2)nnc1C(C)(C)C ZINC001545708683 1066969078 /nfs/dbraw/zinc/96/90/78/1066969078.db2.gz NKJQLUTXJVUBAG-FUHWJXTLSA-N 0 0 454.644 4.832 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(N2CCC[C@H]2c2nc3ccccc3s2)nnc1C(C)(C)C ZINC001545708682 1066969133 /nfs/dbraw/zinc/96/91/33/1066969133.db2.gz NKJQLUTXJVUBAG-AEFFLSMTSA-N 0 0 454.644 4.832 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1 ZINC001545708227 1066969143 /nfs/dbraw/zinc/96/91/43/1066969143.db2.gz FJGLGXPASRKLMB-XKCSPQBFSA-N 0 0 455.647 4.528 20 0 JJADRN C[C@H]1CN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC2(CCOCC2)O1 ZINC001448912206 1066969227 /nfs/dbraw/zinc/96/92/27/1066969227.db2.gz DCPIFWNVQGTGFE-KKSFZXQISA-N 0 0 450.362 4.910 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cnnn1-c1ccccc1Cl ZINC001458078987 1066969349 /nfs/dbraw/zinc/96/93/49/1066969349.db2.gz CQOUBNDXHXFPNQ-UHFFFAOYSA-N 0 0 456.762 4.703 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001545708857 1066969397 /nfs/dbraw/zinc/96/93/97/1066969397.db2.gz QUHZGTIIGBCTHW-ZISUOPPCSA-N 0 0 485.648 4.635 20 0 JJADRN COc1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C2CCCCC2)cc1OC ZINC001458080333 1066969629 /nfs/dbraw/zinc/96/96/29/1066969629.db2.gz KXJSDAZIYFMVQQ-SWCONJRYSA-N 0 0 456.627 4.792 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001545709316 1066969756 /nfs/dbraw/zinc/96/97/56/1066969756.db2.gz ZNPACVUPEGESMG-INIZCTEOSA-N 0 0 497.587 4.583 20 0 JJADRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001458082225 1066969999 /nfs/dbraw/zinc/96/99/99/1066969999.db2.gz VFHPDLGYCDPJQI-UHFFFAOYSA-N 0 0 456.762 4.703 20 0 JJADRN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCCCC2)CC1 ZINC001545710740 1066970183 /nfs/dbraw/zinc/97/01/83/1066970183.db2.gz GPCRJEOPGJOVAJ-JOCHJYFZSA-N 0 0 494.728 4.860 20 0 JJADRN CCc1c(NC(=O)c2cc(Br)c[nH]c2=O)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448920022 1066970172 /nfs/dbraw/zinc/97/01/72/1066970172.db2.gz CPLRZKGDVCTQIG-UHFFFAOYSA-N 0 0 455.234 4.569 20 0 JJADRN CCc1c(NC(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1Cl ZINC001448923573 1066970425 /nfs/dbraw/zinc/97/04/25/1066970425.db2.gz ISHBWZURVZSTPG-UHFFFAOYSA-N 0 0 450.942 4.766 20 0 JJADRN CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001448927670 1066970470 /nfs/dbraw/zinc/97/04/70/1066970470.db2.gz DZPSTSWSYDJFGV-GOSISDBHSA-N 0 0 456.505 4.521 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)cc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001545711960 1066970445 /nfs/dbraw/zinc/97/04/45/1066970445.db2.gz HAJLXGYOVAHXDH-ZOLHPDHPSA-N 0 0 455.476 4.935 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001545712419 1066970525 /nfs/dbraw/zinc/97/05/25/1066970525.db2.gz WPNZBHCDIJLKQD-KRWDZBQOSA-N 0 0 458.327 4.962 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001545715906 1066970693 /nfs/dbraw/zinc/97/06/93/1066970693.db2.gz AOFBBAYQFTWUKP-JOCHJYFZSA-N 0 0 459.514 4.530 20 0 JJADRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(Oc2ccncc2)c1 ZINC001448928031 1066971023 /nfs/dbraw/zinc/97/10/23/1066971023.db2.gz GYSXKKQIPUALLC-UHFFFAOYSA-N 0 0 451.280 4.616 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)CC1 ZINC001545716668 1066971384 /nfs/dbraw/zinc/97/13/84/1066971384.db2.gz WPADRRUVFZEHNG-CYFREDJKSA-N 0 0 454.636 4.529 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC001545716682 1066971406 /nfs/dbraw/zinc/97/14/06/1066971406.db2.gz WYAQBLBZHOOULD-OAQYLSRUSA-N 0 0 450.539 4.686 20 0 JJADRN CCN(CC(=O)NCc1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001458090417 1066971776 /nfs/dbraw/zinc/97/17/76/1066971776.db2.gz XWCJKEMKSQUWLN-UHFFFAOYSA-N 0 0 452.961 4.958 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC001458091140 1066971885 /nfs/dbraw/zinc/97/18/85/1066971885.db2.gz CJWJCEDRNXEJEF-UHFFFAOYSA-N 0 0 452.260 4.788 20 0 JJADRN COc1ccccc1-c1csc(C2CCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)CC2)n1 ZINC001448935240 1066971908 /nfs/dbraw/zinc/97/19/08/1066971908.db2.gz PIODMMIWFXAOCA-KRWDZBQOSA-N 0 0 455.624 4.610 20 0 JJADRN C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458092313 1066972175 /nfs/dbraw/zinc/97/21/75/1066972175.db2.gz GRNXFJGMHFCKAU-INIZCTEOSA-N 0 0 452.526 4.670 20 0 JJADRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001448939364 1066972201 /nfs/dbraw/zinc/97/22/01/1066972201.db2.gz RCIPSIBYVCDFGE-QGZVFWFLSA-N 0 0 452.816 4.889 20 0 JJADRN CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1)OC ZINC001546010649 1066972737 /nfs/dbraw/zinc/97/27/37/1066972737.db2.gz PBWVFNHABBSGQX-JOCHJYFZSA-N 0 0 479.625 4.650 20 0 JJADRN CC(C)c1c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cnn1-c1ccccc1 ZINC001448959602 1066972997 /nfs/dbraw/zinc/97/29/97/1066972997.db2.gz ARWKZPQJMAUASV-SBUREZEXSA-N 0 0 454.933 4.946 20 0 JJADRN CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)CC1)Oc1cccc(F)c1 ZINC001546010739 1066973025 /nfs/dbraw/zinc/97/30/25/1066973025.db2.gz QWCBXMVOOJTFOI-QUCCMNQESA-N 0 0 485.629 4.893 20 0 JJADRN C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458093602 1066973291 /nfs/dbraw/zinc/97/32/91/1066973291.db2.gz KKAKCZNGKJRUQC-AYOQOUSVSA-N 0 0 462.562 4.666 20 0 JJADRN Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001448961754 1066973609 /nfs/dbraw/zinc/97/36/09/1066973609.db2.gz BAJIVCCAGKJBAU-UHFFFAOYSA-N 0 0 452.146 4.703 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458097142 1066974015 /nfs/dbraw/zinc/97/40/15/1066974015.db2.gz VFNNNUFCNZWGQN-KRWDZBQOSA-N 0 0 450.514 4.797 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458096706 1066974096 /nfs/dbraw/zinc/97/40/96/1066974096.db2.gz TUONGVZUFCACJU-QGZVFWFLSA-N 0 0 450.514 4.797 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@]1(C)CCCS1)c1ccccc1 ZINC001545720177 1066974276 /nfs/dbraw/zinc/97/42/76/1066974276.db2.gz SFFLILHNRXHSBO-YIXXDRMTSA-N 0 0 485.742 4.900 20 0 JJADRN CC[C@@H](c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)OC)c1ccccc1 ZINC001545720276 1066974314 /nfs/dbraw/zinc/97/43/14/1066974314.db2.gz UGVBMLDNUMYOBC-SIKLNZKXSA-N 0 0 471.646 4.691 20 0 JJADRN O=C(CCn1nnc2ccccc2c1=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001458098676 1066974483 /nfs/dbraw/zinc/97/44/83/1066974483.db2.gz YTHDJGFQENLNOJ-UHFFFAOYSA-N 0 0 459.377 4.507 20 0 JJADRN Cc1nc2ccccc2n1CC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC001458098682 1066974553 /nfs/dbraw/zinc/97/45/53/1066974553.db2.gz ZHAHASHCGPNTKB-INIZCTEOSA-N 0 0 452.530 4.656 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545720466 1066974773 /nfs/dbraw/zinc/97/47/73/1066974773.db2.gz XNMLVMZMSPHNRS-WWNPGLIZSA-N 0 0 469.674 4.766 20 0 JJADRN CCN(CC(=O)N1CCC[C@@](C)(OC)CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001448980673 1066974997 /nfs/dbraw/zinc/97/49/97/1066974997.db2.gz DIKTZTGSBBSIQP-HHHXNRCGSA-N 0 0 450.579 4.675 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCC1(OC)CCC1)c1ccccc1 ZINC001545721532 1066975793 /nfs/dbraw/zinc/97/57/93/1066975793.db2.gz BQQVFYWKWJKSIP-QFIPXVFZSA-N 0 0 450.631 4.766 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCO[C@H]1C(C)C)c1ccccc1 ZINC001545721678 1066976009 /nfs/dbraw/zinc/97/60/09/1066976009.db2.gz DWSODRYSIIGHGE-JRFVFWCSSA-N 0 0 450.631 4.559 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545721930 1066976353 /nfs/dbraw/zinc/97/63/53/1066976353.db2.gz JXEMMWWFCHDOKF-QFIPXVFZSA-N 0 0 464.614 4.718 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccccn2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545721806 1066976415 /nfs/dbraw/zinc/97/64/15/1066976415.db2.gz HGXPRWPUIDWHFU-XMMPIXPASA-N 0 0 460.626 4.644 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)NCC2(c3cccc(Br)c3)CCCC2)cc1 ZINC001458103094 1066976591 /nfs/dbraw/zinc/97/65/91/1066976591.db2.gz XUPYODDSHMSXMU-UHFFFAOYSA-N 0 0 453.384 4.969 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001545722049 1066976897 /nfs/dbraw/zinc/97/68/97/1066976897.db2.gz MIFOSKQENXBCMZ-APWZRJJASA-N 0 0 479.071 4.606 20 0 JJADRN COC(=O)c1ccc([C@H](OC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C(F)(F)F)cc1 ZINC001458104724 1066976869 /nfs/dbraw/zinc/97/68/69/1066976869.db2.gz MVJUJXLQXNGYNV-IBGZPJMESA-N 0 0 451.441 4.548 20 0 JJADRN CCOc1cccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 ZINC001458105244 1066976968 /nfs/dbraw/zinc/97/69/68/1066976968.db2.gz MNRAXMYRLRXVNM-UHFFFAOYSA-N 0 0 457.324 4.666 20 0 JJADRN Cc1cc(=O)c2cc(NC(=O)Cc3ccc(Br)c(Br)c3)ccc2[nH]1 ZINC001449011856 1066977079 /nfs/dbraw/zinc/97/70/79/1066977079.db2.gz BDUHZOGCIPPDOO-UHFFFAOYSA-N 0 0 450.130 4.543 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(C)cs2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545722128 1066977234 /nfs/dbraw/zinc/97/72/34/1066977234.db2.gz OLIALDGWHXNZPU-OAQYLSRUSA-N 0 0 453.656 4.989 20 0 JJADRN C[C@H](NC(=O)Cc1ccc(Br)cc1F)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458106278 1066977243 /nfs/dbraw/zinc/97/72/43/1066977243.db2.gz QFCJRGCAEPSZRP-NYHFZMIOSA-N 0 0 450.348 4.572 20 0 JJADRN Cc1ccc(F)c(Br)c1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458105609 1066977409 /nfs/dbraw/zinc/97/74/09/1066977409.db2.gz OUAALHBSRMEAJZ-VFNWGFHPSA-N 0 0 450.348 4.952 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)NC(Cc3ccccc3F)Cc3ccccc3F)c2n1 ZINC001458107753 1066977610 /nfs/dbraw/zinc/97/76/10/1066977610.db2.gz UMAYZQKKDLCBAZ-UHFFFAOYSA-N 0 0 456.443 4.837 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545722186 1066977705 /nfs/dbraw/zinc/97/77/05/1066977705.db2.gz PYOGAQVWBCRKCK-XKCSPQBFSA-N 0 0 480.682 4.775 20 0 JJADRN COc1cc2c(cc1CNC(=O)c1sc(NC(=O)c3cccc(F)c3)cc1C)O[C@H](C)C2 ZINC001458109111 1066978244 /nfs/dbraw/zinc/97/82/44/1066978244.db2.gz VIUSQJSGJSARQJ-CQSZACIVSA-N 0 0 454.523 4.710 20 0 JJADRN CC(C)CCn1ncc(NC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(C)C ZINC001449035150 1066978248 /nfs/dbraw/zinc/97/82/48/1066978248.db2.gz AIXHQBOGFLBVSO-KRWDZBQOSA-N 0 0 458.607 4.752 20 0 JJADRN CC[C@@H](C)C(=O)Nc1cccc(CNc2ncnc3c2c(Br)nn3C(C)(C)C)c1 ZINC001458109658 1066978645 /nfs/dbraw/zinc/97/86/45/1066978645.db2.gz TWXGSRGXGOQGNJ-CYBMUJFWSA-N 0 0 459.392 4.941 20 0 JJADRN O=C(Cc1ccccc1S(=O)(=O)C(F)F)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001458110952 1066978867 /nfs/dbraw/zinc/97/88/67/1066978867.db2.gz MKPFAHFNGGATDD-UHFFFAOYSA-N 0 0 459.967 4.662 20 0 JJADRN COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)n1 ZINC001458110926 1066978908 /nfs/dbraw/zinc/97/89/08/1066978908.db2.gz BWGWECVFIINWOB-JOCHJYFZSA-N 0 0 450.608 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(O)(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001449045289 1066979118 /nfs/dbraw/zinc/97/91/18/1066979118.db2.gz PHNUVGHAWYEMBL-FQEVSTJZSA-N 0 0 451.007 4.624 20 0 JJADRN CCCN(C(=O)c1ccccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C(C)C ZINC001458112015 1066979431 /nfs/dbraw/zinc/97/94/31/1066979431.db2.gz MTGIXENHHRUQDN-UHFFFAOYSA-N 0 0 459.472 4.799 20 0 JJADRN CCn1c(CNC(=O)c2cccc(Oc3ccncc3)c2)nc2cc(Br)ccc21 ZINC001449048339 1066979361 /nfs/dbraw/zinc/97/93/61/1066979361.db2.gz OKIMYRRFGOMFMD-UHFFFAOYSA-N 0 0 451.324 4.936 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1CC[C@@H]1CCCCO1)c1ccccc1 ZINC001545723759 1066979632 /nfs/dbraw/zinc/97/96/32/1066979632.db2.gz FLTKZKYROSJWER-VQTJNVASSA-N 0 0 457.022 4.803 20 0 JJADRN C[C@@H](O)[C@@](C)(CNC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)Cc1ccccc1 ZINC001449056313 1066980235 /nfs/dbraw/zinc/98/02/35/1066980235.db2.gz XFNDIVKQRNIBMA-ACSYHNTCSA-N 0 0 454.570 4.769 20 0 JJADRN CCn1c(CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)nc2cc(Br)ccc21 ZINC001449054263 1066980258 /nfs/dbraw/zinc/98/02/58/1066980258.db2.gz ZUJOWRAAIDCNFU-UHFFFAOYSA-N 0 0 458.747 4.792 20 0 JJADRN O=C(CCC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccc2c(c1)OCCO2 ZINC001449061074 1066980314 /nfs/dbraw/zinc/98/03/14/1066980314.db2.gz MSWZROOLLAFXAD-UHFFFAOYSA-N 0 0 458.352 4.622 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(C)c1C ZINC001449060457 1066980391 /nfs/dbraw/zinc/98/03/91/1066980391.db2.gz DLBJNEMZGBWVAK-DNQXCXABSA-N 0 0 456.652 4.740 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001458115816 1066980317 /nfs/dbraw/zinc/98/03/17/1066980317.db2.gz CFQJIRDSUSMFOT-MIZPHKNDSA-N 0 0 450.583 4.822 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545724216 1066980345 /nfs/dbraw/zinc/98/03/45/1066980345.db2.gz NMONFAMXWFATFI-RCZVLFRGSA-N 0 0 453.675 4.805 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545724092 1066980376 /nfs/dbraw/zinc/98/03/76/1066980376.db2.gz LQUJSBLWRSFOFG-WOJBJXKFSA-N 0 0 484.563 4.623 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CCCN(C(C)=O)C1)c1ccccc1 ZINC001545724275 1066980470 /nfs/dbraw/zinc/98/04/70/1066980470.db2.gz OKHUVRBCTFHHCP-DENIHFKCSA-N 0 0 459.585 4.560 20 0 JJADRN Cc1[nH]c(=O)c(Br)cc1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC001449058823 1066980448 /nfs/dbraw/zinc/98/04/48/1066980448.db2.gz IBRXTWIMWXWPGE-UHFFFAOYSA-N 0 0 454.162 4.673 20 0 JJADRN CC(C)(CNC(=O)c1cc(Br)cn2ccnc12)c1ccccc1Br ZINC001458116985 1066980791 /nfs/dbraw/zinc/98/07/91/1066980791.db2.gz AUDJKXACROOEBC-UHFFFAOYSA-N 0 0 451.162 4.567 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccon2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545724314 1066980729 /nfs/dbraw/zinc/98/07/29/1066980729.db2.gz OYLVCAWIVFGSCG-FGZHOGPDSA-N 0 0 482.629 4.994 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545724388 1066980806 /nfs/dbraw/zinc/98/08/06/1066980806.db2.gz PSBAOFZPFAWAIC-ZJSXRUAMSA-N 0 0 494.709 4.947 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnn1-c1ccccc1Cl ZINC001458120674 1066981178 /nfs/dbraw/zinc/98/11/78/1066981178.db2.gz KXRDMBWJKIYGRR-GFCCVEGCSA-N 0 0 455.893 4.724 20 0 JJADRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001449072682 1066981106 /nfs/dbraw/zinc/98/11/06/1066981106.db2.gz GYVMXDOTBBNIPW-RTBURBONSA-N 0 0 455.640 4.518 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@]1(C)COCCO1)c1ccccc1 ZINC001545724428 1066981234 /nfs/dbraw/zinc/98/12/34/1066981234.db2.gz QBEFRRMRPZTRFG-VGSWGCGISA-N 0 0 495.571 4.737 20 0 JJADRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC001449072671 1066981200 /nfs/dbraw/zinc/98/12/00/1066981200.db2.gz GYVMXDOTBBNIPW-OALUTQOASA-N 0 0 455.640 4.518 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCC(C)(C)c1ccccc1Br ZINC001458121681 1066981508 /nfs/dbraw/zinc/98/15/08/1066981508.db2.gz GTSGFKOFDZGYHS-CQSZACIVSA-N 0 0 450.398 4.810 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001449079521 1066981507 /nfs/dbraw/zinc/98/15/07/1066981507.db2.gz HXKLAURYSYBQBY-WBVHZDCISA-N 0 0 459.612 4.741 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)CCCCC4=O)sc2C1 ZINC001449076789 1066981712 /nfs/dbraw/zinc/98/17/12/1066981712.db2.gz GETABLFWHBKWQN-INIZCTEOSA-N 0 0 455.580 4.687 20 0 JJADRN O=C(c1cnn(-c2ccc(Br)cc2)n1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001458123044 1066981829 /nfs/dbraw/zinc/98/18/29/1066981829.db2.gz GWXXINICUJNSSD-IBGZPJMESA-N 0 0 453.384 4.905 20 0 JJADRN CC(C)Cn1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1C1CC1 ZINC001449090796 1066981896 /nfs/dbraw/zinc/98/18/96/1066981896.db2.gz TTWPJXDKYNETDT-HNNXBMFYSA-N 0 0 459.616 4.507 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)NCCc2ccccc2OC(F)(F)F)cs1 ZINC001545725519 1066982284 /nfs/dbraw/zinc/98/22/84/1066982284.db2.gz WAKQVTNKQQLREU-GFCCVEGCSA-N 0 0 459.490 4.600 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545726621 1066982331 /nfs/dbraw/zinc/98/23/31/1066982331.db2.gz UGYSZTITMQAGQZ-XZDVRORASA-N 0 0 483.701 4.569 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1 ZINC001449103310 1066982428 /nfs/dbraw/zinc/98/24/28/1066982428.db2.gz NNPSPENVHWGVOL-HXUWFJFHSA-N 0 0 455.555 4.530 20 0 JJADRN CC(C)(CNC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccccc1Br ZINC001458123285 1066982446 /nfs/dbraw/zinc/98/24/46/1066982446.db2.gz MUKFFANRGFVYCC-UHFFFAOYSA-N 0 0 456.359 4.970 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1nc2c(cccc2Br)s1 ZINC001449101830 1066982527 /nfs/dbraw/zinc/98/25/27/1066982527.db2.gz AOWOMZBPSMIHNH-SECBINFHSA-N 0 0 450.305 4.546 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NCC(C)(C)c3ccccc3Br)CCC2=O)cc1C ZINC001458124469 1066982736 /nfs/dbraw/zinc/98/27/36/1066982736.db2.gz UHNKAWFLFUMWGY-SFHVURJKSA-N 0 0 457.412 4.903 20 0 JJADRN Cc1sc2ncnc(SCC(=O)NCc3cc(F)c(F)cc3Br)c2c1C ZINC001449110112 1066982798 /nfs/dbraw/zinc/98/27/98/1066982798.db2.gz PELBBBJKZNWMEV-UHFFFAOYSA-N 0 0 458.353 4.757 20 0 JJADRN NC(=O)c1cc(Oc2cccc(OC(=O)c3cc(Br)ccc3C3CC3)c2)ccn1 ZINC001458125333 1066983026 /nfs/dbraw/zinc/98/30/26/1066983026.db2.gz FXRJXCORBVMCQF-UHFFFAOYSA-N 0 0 453.292 4.832 20 0 JJADRN CC(C)(C)OC(=O)CCCC(=O)Nc1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001449113378 1066983344 /nfs/dbraw/zinc/98/33/44/1066983344.db2.gz BYMWFMFNURAJSO-UHFFFAOYSA-N 0 0 453.605 4.708 20 0 JJADRN O=C(CNC(=O)Cc1cccc2ccccc21)Nc1nc2c(cccc2Br)s1 ZINC001449111448 1066983364 /nfs/dbraw/zinc/98/33/64/1066983364.db2.gz PXJNWZJSXAKOGW-UHFFFAOYSA-N 0 0 454.349 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)COc3ccccc3Cl)s2)CC1 ZINC001449113813 1066983412 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CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCc1nnc(C)s1)c1ccccc1 ZINC001545732174 1066993621 /nfs/dbraw/zinc/99/36/21/1066993621.db2.gz YRFMPMQLKCSGGF-KFKAGJAMSA-N 0 0 494.587 4.769 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)C1 ZINC001545732830 1066994034 /nfs/dbraw/zinc/99/40/34/1066994034.db2.gz NBZJYWYWHGRMEG-KBPBESRZSA-N 0 0 451.926 4.900 20 0 JJADRN Cc1cc(CCC(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1Br ZINC001545732361 1066994079 /nfs/dbraw/zinc/99/40/79/1066994079.db2.gz BNQHKKROIHOBQA-FUHWJXTLSA-N 0 0 453.421 4.842 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC001545733155 1066994331 /nfs/dbraw/zinc/99/43/31/1066994331.db2.gz VGBZITHZIMPSLI-KGLIPLIRSA-N 0 0 451.539 4.854 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1csc(Br)c1)C1CC1)c1c(F)cccc1F ZINC001458167248 1066994428 /nfs/dbraw/zinc/99/44/28/1066994428.db2.gz VXGIBDCWVRMUHI-INIZCTEOSA-N 0 0 457.340 4.547 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001458169366 1066994769 /nfs/dbraw/zinc/99/47/69/1066994769.db2.gz JDWVMQCUMQGPEF-BONVTDFDSA-N 0 0 456.852 4.956 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCSC1)c1ccccc1 ZINC001545733451 1066994849 /nfs/dbraw/zinc/99/48/49/1066994849.db2.gz BRNBJNXRBBUNHY-LPHOPBHVSA-N 0 0 466.573 4.921 20 0 JJADRN CC(C)c1nc(N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc(C(C)(C)C)n1 ZINC001458171196 1066995050 /nfs/dbraw/zinc/99/50/50/1066995050.db2.gz ZRDFIENHMXMMJK-INIZCTEOSA-N 0 0 450.583 4.716 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC001458170531 1066995138 /nfs/dbraw/zinc/99/51/38/1066995138.db2.gz BLZRLAJOKKJYKN-QGZVFWFLSA-N 0 0 454.386 4.772 20 0 JJADRN C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001458171302 1066995535 /nfs/dbraw/zinc/99/55/35/1066995535.db2.gz MPJBACWFXPWXHU-UGSOOPFHSA-N 0 0 458.396 4.797 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545733603 1066995581 /nfs/dbraw/zinc/99/55/81/1066995581.db2.gz DZKPTVHTFVFHMK-SJORKVTESA-N 0 0 491.480 4.667 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545733656 1066995652 /nfs/dbraw/zinc/99/56/52/1066995652.db2.gz FVTFHBGBMIHKCA-RUZDIDTESA-N 0 0 495.712 4.846 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545733657 1066995673 /nfs/dbraw/zinc/99/56/73/1066995673.db2.gz FVTFHBGBMIHKCA-VWLOTQADSA-N 0 0 495.712 4.846 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001449289310 1066995923 /nfs/dbraw/zinc/99/59/23/1066995923.db2.gz BYSNUZMLHKQSEJ-RYGJVYDSSA-N 0 0 452.542 4.835 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545733764 1066996040 /nfs/dbraw/zinc/99/60/40/1066996040.db2.gz HNKLYUMRMLRWJR-NRFANRHFSA-N 0 0 494.709 4.779 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)OC)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545733823 1066996049 /nfs/dbraw/zinc/99/60/49/1066996049.db2.gz IPLKJRKFWKLQCV-OAQYLSRUSA-N 0 0 499.656 4.513 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)C1 ZINC001449298520 1066996330 /nfs/dbraw/zinc/99/63/30/1066996330.db2.gz LTZMPXLISMDYLP-PKOBYXMFSA-N 0 0 458.496 4.967 20 0 JJADRN CC[C@@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC1(O)CCCC1)c1ccccc1 ZINC001545734016 1066996757 /nfs/dbraw/zinc/99/67/57/1066996757.db2.gz MCSSFUYMJUPVRW-NFBKMPQASA-N 0 0 480.575 4.655 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC001449303722 1066996756 /nfs/dbraw/zinc/99/67/56/1066996756.db2.gz SNEKWIHPGIFPAE-UHFFFAOYSA-N 0 0 452.382 4.861 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)CCO2 ZINC001449305583 1066997072 /nfs/dbraw/zinc/99/70/72/1066997072.db2.gz XWZLBKALVXXJHK-MBSDFSHPSA-N 0 0 458.961 4.897 20 0 JJADRN Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)CCO2 ZINC001449305578 1066997123 /nfs/dbraw/zinc/99/71/23/1066997123.db2.gz XWZLBKALVXXJHK-JPYJTQIMSA-N 0 0 458.961 4.897 20 0 JJADRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1cccc(F)c1I ZINC001458175427 1066997013 /nfs/dbraw/zinc/99/70/13/1066997013.db2.gz NIPMMUAAEDYBTC-UHFFFAOYSA-N 0 0 456.642 4.797 20 0 JJADRN Cc1nc(-c2cccc(C(=O)N3CCN(Cc4ccc(Br)cc4)CC3)c2)cs1 ZINC001458175721 1066997039 /nfs/dbraw/zinc/99/70/39/1066997039.db2.gz YDCGGFUSCSXGHJ-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCCOC(C)C)c1ccccc1 ZINC001545734319 1066997091 /nfs/dbraw/zinc/99/70/91/1066997091.db2.gz QQWGSFALVDPDHC-VWLOTQADSA-N 0 0 481.685 4.864 20 0 JJADRN C[C@@H]1CCCN(c2cc(C(=O)Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccn2)C1 ZINC001458176700 1066997513 /nfs/dbraw/zinc/99/75/13/1066997513.db2.gz VCOWSCJYASVAPS-GOSISDBHSA-N 0 0 451.567 4.830 20 0 JJADRN COc1ccc(COCCCC(=O)Oc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001458176492 1066997540 /nfs/dbraw/zinc/99/75/40/1066997540.db2.gz ZQFKWOMWPNUBMD-UHFFFAOYSA-N 0 0 455.551 4.891 20 0 JJADRN COc1cc(F)c([C@@H](C)Nc2ncnc3cc(I)sc32)cc1OC ZINC001458178455 1066997839 /nfs/dbraw/zinc/99/78/39/1066997839.db2.gz DJLTXOACFOONCI-MRVPVSSYSA-N 0 0 459.284 4.625 20 0 JJADRN CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C)C2=O ZINC001458178222 1066997928 /nfs/dbraw/zinc/99/79/28/1066997928.db2.gz YWNDGNPSNKYGTE-JOXBDYEASA-N 0 0 454.489 4.837 20 0 JJADRN O=C(c1ccc2ccc(Cl)cc2n1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC001449313056 1066998476 /nfs/dbraw/zinc/99/84/76/1066998476.db2.gz SENUBWWBKKAKEC-UHFFFAOYSA-N 0 0 459.731 4.783 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545735438 1066998568 /nfs/dbraw/zinc/99/85/68/1066998568.db2.gz AENTXKGOFWIIFD-FCHUYYIVSA-N 0 0 479.591 4.710 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC001458179958 1066998591 /nfs/dbraw/zinc/99/85/91/1066998591.db2.gz AMYBHCYCMMYHKM-LBPRGKRZSA-N 0 0 451.415 4.618 20 0 JJADRN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC001458180745 1066998597 /nfs/dbraw/zinc/99/85/97/1066998597.db2.gz JYJPKAJKVNTCRS-JOCHJYFZSA-N 0 0 457.412 4.973 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC1)NC(=O)OC(C)(C)C ZINC001546013079 1066998822 /nfs/dbraw/zinc/99/88/22/1066998822.db2.gz UJCUFSNMVIPUNK-GOSISDBHSA-N 0 0 464.010 4.660 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCCC(C)(C)C)c1ccccc1 ZINC001545735783 1066998744 /nfs/dbraw/zinc/99/87/44/1066998744.db2.gz GSWSETIKHBYURC-KCWPFWIISA-N 0 0 453.675 4.947 20 0 JJADRN O=C(CCN1CSCCSC1)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001449323068 1066999306 /nfs/dbraw/zinc/99/93/06/1066999306.db2.gz VPYQFKLPQCXOLV-MRXNPFEDSA-N 0 0 452.860 4.783 20 0 JJADRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC001449322562 1066999318 /nfs/dbraw/zinc/99/93/18/1066999318.db2.gz RETHXVOEXTVSQP-UHFFFAOYSA-N 0 0 451.733 4.968 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC=C(c2ccco2)C1 ZINC001449324833 1066999661 /nfs/dbraw/zinc/99/96/61/1066999661.db2.gz FPHXHZGELLEZSJ-GOSISDBHSA-N 0 0 453.391 4.754 20 0 JJADRN COc1cc(F)c([C@@H](C)Nc2ncnc3c2c(Br)nn3C(C)(C)C)cc1OC ZINC001458184796 1066999664 /nfs/dbraw/zinc/99/96/64/1066999664.db2.gz XNOSFYRFRDEEOW-SNVBAGLBSA-N 0 0 452.328 4.673 20 0 JJADRN OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458185258 1066999695 /nfs/dbraw/zinc/99/96/95/1066999695.db2.gz ZMJPXNBMRFCJGD-INIZCTEOSA-N 0 0 452.805 4.568 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545736074 1066999710 /nfs/dbraw/zinc/99/97/10/1066999710.db2.gz KOMVHUXKMXYPIJ-FHAGJXEFSA-N 0 0 457.688 4.560 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCc1cnn(C)c1)c1ccccc1 ZINC001545736212 1066999727 /nfs/dbraw/zinc/99/97/27/1066999727.db2.gz MINLMPYNVZOPEC-NRFANRHFSA-N 0 0 460.548 4.965 20 0 JJADRN OC[C@H](c1ccc(Cl)cc1)N1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458185267 1066999792 /nfs/dbraw/zinc/99/97/92/1066999792.db2.gz ZMJPXNBMRFCJGD-MRXNPFEDSA-N 0 0 452.805 4.568 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185439 1066999853 /nfs/dbraw/zinc/99/98/53/1066999853.db2.gz XHTLYTMDIUJLHH-FYYLOGMGSA-N 0 0 454.615 4.785 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(C)c1Br ZINC001449328023 1067000015 /nfs/dbraw/zinc/00/00/15/1067000015.db2.gz PKMRVHGQBNZNJA-HXUWFJFHSA-N 0 0 457.412 4.810 20 0 JJADRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001458186550 1067000031 /nfs/dbraw/zinc/00/00/31/1067000031.db2.gz VDVHOYRLUGBZES-UHFFFAOYSA-N 0 0 459.936 4.678 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](OC)C1CC1)c1ccccc1 ZINC001545736602 1067000207 /nfs/dbraw/zinc/00/02/07/1067000207.db2.gz SODANDYCPMKLRC-GOUWZUTHSA-N 0 0 497.684 4.985 20 0 JJADRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185454 1067000233 /nfs/dbraw/zinc/00/02/33/1067000233.db2.gz XHTLYTMDIUJLHH-JTHBVZDNSA-N 0 0 454.615 4.785 20 0 JJADRN CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C)OC ZINC001546013151 1067000350 /nfs/dbraw/zinc/00/03/50/1067000350.db2.gz VUGWOILBJJMNBG-KRWDZBQOSA-N 0 0 481.428 4.576 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)=C(Br)C2)n1CCNC(=O)c1ccco1)c1ccccc1 ZINC001545736655 1067000579 /nfs/dbraw/zinc/00/05/79/1067000579.db2.gz TYTPFPOZEGSFKZ-LJQANCHMSA-N 0 0 498.425 4.722 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@]3(CCC)CCOC3)c2)cc1 ZINC001449331480 1067000743 /nfs/dbraw/zinc/00/07/43/1067000743.db2.gz NIQMZNLTBKRBBZ-RUZDIDTESA-N 0 0 458.624 4.827 20 0 JJADRN C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC001449336300 1067001168 /nfs/dbraw/zinc/00/11/68/1067001168.db2.gz NMXXODOBCIWHNL-UUOWRZLLSA-N 0 0 455.396 4.772 20 0 JJADRN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC001449336283 1067001176 /nfs/dbraw/zinc/00/11/76/1067001176.db2.gz NMXXODOBCIWHNL-HOYKHHGWSA-N 0 0 455.396 4.772 20 0 JJADRN CC(C)(CNc1cnc2cc(Cl)ccc2n1)S(=O)(=O)c1ccc(Br)cc1 ZINC001458193822 1067001260 /nfs/dbraw/zinc/00/12/60/1067001260.db2.gz GLPIUTRRFKEUSW-UHFFFAOYSA-N 0 0 454.777 4.710 20 0 JJADRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001449334979 1067001277 /nfs/dbraw/zinc/00/12/77/1067001277.db2.gz SIKBTZCCSMHXHK-UHFFFAOYSA-N 0 0 458.402 4.893 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545736946 1067001405 /nfs/dbraw/zinc/00/14/05/1067001405.db2.gz XRDHVNYUTOBYCB-PQNGQFLHSA-N 0 0 479.591 4.710 20 0 JJADRN CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC)C[C@H]2C)cc1OCCC ZINC001449340780 1067001549 /nfs/dbraw/zinc/00/15/49/1067001549.db2.gz WPQZOLGDQGBFRI-HXUWFJFHSA-N 0 0 452.595 4.661 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1CC[C@H](CO)O1)c1ccccc1 ZINC001545738044 1067001713 /nfs/dbraw/zinc/00/17/13/1067001713.db2.gz AOZXHGVFYLQMNR-PWRODBHTSA-N 0 0 466.548 4.529 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001449345464 1067002045 /nfs/dbraw/zinc/00/20/45/1067002045.db2.gz JKXWBQRQGVJMKD-JTSKRJEESA-N 0 0 458.521 4.585 20 0 JJADRN O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC001449351369 1067002073 /nfs/dbraw/zinc/00/20/73/1067002073.db2.gz BJSOTUBPHGBFQP-JSGCOSHPSA-N 0 0 453.404 4.947 20 0 JJADRN O=C(c1cc(-c2ccccc2)ccn1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001458200943 1067002209 /nfs/dbraw/zinc/00/22/09/1067002209.db2.gz MGFZYXHWPSBVRA-UHFFFAOYSA-N 0 0 454.343 4.608 20 0 JJADRN CCOC(=O)c1nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)ccc1Br ZINC001458203907 1067002509 /nfs/dbraw/zinc/00/25/09/1067002509.db2.gz OEPIIOGRLLGAQC-UHFFFAOYSA-N 0 0 458.356 4.858 20 0 JJADRN CC(C)(C)Cc1ncc(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)s1 ZINC001458203509 1067002544 /nfs/dbraw/zinc/00/25/44/1067002544.db2.gz SFQGJHANTZOIJR-UHFFFAOYSA-N 0 0 454.409 4.591 20 0 JJADRN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC001449354044 1067002465 /nfs/dbraw/zinc/00/24/65/1067002465.db2.gz YGRWSZKTSVMRBA-CQSZACIVSA-N 0 0 455.321 4.554 20 0 JJADRN O=S(=O)(Nc1cccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)c1ccccc1 ZINC001458206177 1067002741 /nfs/dbraw/zinc/00/27/41/1067002741.db2.gz UPQNVIXMOHWODJ-UHFFFAOYSA-N 0 0 457.451 4.573 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCOC1)c1ccccc1 ZINC001545738587 1067002925 /nfs/dbraw/zinc/00/29/25/1067002925.db2.gz KQEMQQHOWNJHEP-QNWVGRARSA-N 0 0 483.657 4.598 20 0 JJADRN Cc1nc2c(s1)[C@@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)OC(C)(C)C)CCC2 ZINC001458209126 1067003106 /nfs/dbraw/zinc/00/31/06/1067003106.db2.gz JNLAVDOLBVROHW-VQTJNVASSA-N 0 0 454.596 4.562 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449357580 1067003190 /nfs/dbraw/zinc/00/31/90/1067003190.db2.gz MSAQASQCLQAVEC-VLBXTOJCSA-N 0 0 464.606 4.808 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)CC2 ZINC001449357628 1067003226 /nfs/dbraw/zinc/00/32/26/1067003226.db2.gz MUHZHJHTSVDBRS-CPXZFZLSSA-N 0 0 450.579 4.681 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545738648 1067003358 /nfs/dbraw/zinc/00/33/58/1067003358.db2.gz LRWKDHKRQBXXEB-MZYLBHOOSA-N 0 0 493.618 4.956 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC001449360436 1067003813 /nfs/dbraw/zinc/00/38/13/1067003813.db2.gz WBLRWBDSOIKVIT-SHTHHVAISA-N 0 0 463.409 4.603 20 0 JJADRN CC(C)COc1ncc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1Cl ZINC001458210589 1067003934 /nfs/dbraw/zinc/00/39/34/1067003934.db2.gz BSTAEGCJADPMEN-VDZJLULYSA-N 0 0 451.995 4.535 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H](C)c1nccs1)c1ccccc1 ZINC001545738861 1067003832 /nfs/dbraw/zinc/00/38/32/1067003832.db2.gz PHCLQHLZMKZBSE-SIKLNZKXSA-N 0 0 480.682 4.775 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001449362114 1067004154 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JJADRN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1Br ZINC001458216300 1067005299 /nfs/dbraw/zinc/00/52/99/1067005299.db2.gz ZYSPZUYVUNTCDG-SQWLQELKSA-N 0 0 455.368 4.662 20 0 JJADRN O=C(NC(CCc1ccccc1)CCc1ccccc1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001545740538 1067005499 /nfs/dbraw/zinc/00/54/99/1067005499.db2.gz ZIYNYJQIZBZHLF-UHFFFAOYSA-N 0 0 455.602 4.684 20 0 JJADRN CCC[C@H](C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(Cl)cc1 ZINC001449377952 1067005611 /nfs/dbraw/zinc/00/56/11/1067005611.db2.gz QMCVWBTYZDMVFV-SQJMNOBHSA-N 0 0 453.970 4.765 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449377986 1067005707 /nfs/dbraw/zinc/00/57/07/1067005707.db2.gz WLBIBZRKNPDVBW-KQPPXVQYSA-N 0 0 456.505 4.789 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCOc1cncc(Cl)c1)CC1CCCCC1 ZINC001449386457 1067006094 /nfs/dbraw/zinc/00/60/94/1067006094.db2.gz PDQFLZWULWTZRR-IBGZPJMESA-N 0 0 454.011 4.874 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C)c1ccccc1 ZINC001545740768 1067006294 /nfs/dbraw/zinc/00/62/94/1067006294.db2.gz CXTDDAUFPOKFSS-QLBJFCOMSA-N 0 0 481.685 4.622 20 0 JJADRN CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001546013868 1067006283 /nfs/dbraw/zinc/00/62/83/1067006283.db2.gz SWHPQEWPYDUAPR-DFNIBXOVSA-N 0 0 458.990 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001449402468 1067006589 /nfs/dbraw/zinc/00/65/89/1067006589.db2.gz QUXYHNHSZMGGOA-SFHVURJKSA-N 0 0 455.571 4.838 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(C(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001449403041 1067006733 /nfs/dbraw/zinc/00/67/33/1067006733.db2.gz KAQDIOMNCPLTRL-PXNSSMCTSA-N 0 0 450.023 4.627 20 0 JJADRN CN(C[C@@H]1C[C@H](F)CN1C(=O)COc1ccc(Cl)c2ccccc12)C(=O)OC(C)(C)C ZINC001449401151 1067006743 /nfs/dbraw/zinc/00/67/43/1067006743.db2.gz ARBYQCZVBHKTNC-HOTGVXAUSA-N 0 0 450.938 4.678 20 0 JJADRN Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)no2)cn1 ZINC001458222863 1067006768 /nfs/dbraw/zinc/00/67/68/1067006768.db2.gz LXVPNAPFBXQNQR-MRXNPFEDSA-N 0 0 453.852 4.900 20 0 JJADRN CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)CC2)n1 ZINC001449399282 1067006769 /nfs/dbraw/zinc/00/67/69/1067006769.db2.gz KJOHVJKPGKRFMO-UHFFFAOYSA-N 0 0 456.015 4.836 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1OCCC1(C)C)c1ccccc1 ZINC001545741154 1067007255 /nfs/dbraw/zinc/00/72/55/1067007255.db2.gz KTWGWSRYSIGTLA-BHDDXSALSA-N 0 0 483.657 4.739 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CCCc3ccccc3)n2Cc2csc([C@@H](C)OC)n2)CCO1 ZINC001546098229 1067007180 /nfs/dbraw/zinc/00/71/80/1067007180.db2.gz ZVHMXCXGBOKCSG-CLOONOSVSA-N 0 0 469.655 4.671 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3cccnc3)n2Cc2c(C)sc(C)c2Br)CCO1 ZINC001546098237 1067007406 /nfs/dbraw/zinc/00/74/06/1067007406.db2.gz ZVKRMLUZDQRADS-JOCHJYFZSA-N 0 0 490.471 4.758 20 0 JJADRN COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3ccccc3N[C@H](C)c3ccccc3)CC2=O)c1 ZINC001449404467 1067007473 /nfs/dbraw/zinc/00/74/73/1067007473.db2.gz GDAGSIWRKWBLKL-QUCCMNQESA-N 0 0 459.546 4.869 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC001545741343 1067007576 /nfs/dbraw/zinc/00/75/76/1067007576.db2.gz OSTMSMQHKFQWIY-CTNGQTDRSA-N 0 0 489.542 4.677 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)nc1)c1ccccc1 ZINC001545741220 1067007584 /nfs/dbraw/zinc/00/75/84/1067007584.db2.gz LZETWTKDSOSWIR-XZOQPEGZSA-N 0 0 476.625 4.675 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)N3C[C@@H](F)C[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)CC1 ZINC001449407764 1067007715 /nfs/dbraw/zinc/00/77/15/1067007715.db2.gz LMQLJQRWMNPKJS-DWRORGKVSA-N 0 0 453.624 4.785 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001458228353 1067007847 /nfs/dbraw/zinc/00/78/47/1067007847.db2.gz HSKADXWDWWLBGU-VWLOTQADSA-N 0 0 455.603 4.657 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001545741392 1067007858 /nfs/dbraw/zinc/00/78/58/1067007858.db2.gz PHYQIMBONYPOQK-VGSWGCGISA-N 0 0 453.414 4.507 20 0 JJADRN CN(C[C@@H]1C[C@H](F)CN1C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)OC(C)(C)C ZINC001449409854 1067008173 /nfs/dbraw/zinc/00/81/73/1067008173.db2.gz PPCKMSRGZWIUIZ-GJZGRUSLSA-N 0 0 455.983 4.688 20 0 JJADRN CCCCSc1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)cc1C(F)(F)F ZINC001449408481 1067008204 /nfs/dbraw/zinc/00/82/04/1067008204.db2.gz UADRFMDOHOYKFF-UHFFFAOYSA-N 0 0 455.550 4.802 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)NCc3cnc(Br)s3)s2)cc1 ZINC001449408452 1067008228 /nfs/dbraw/zinc/00/82/28/1067008228.db2.gz NHFPVGVGYCOCKY-UHFFFAOYSA-N 0 0 452.399 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCOC(C)C)c1ccccc1 ZINC001545741509 1067008128 /nfs/dbraw/zinc/00/81/28/1067008128.db2.gz RLPWERXFCAAEKW-JOCHJYFZSA-N 0 0 457.022 4.936 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1C[C@@]1(O)CCSC1)c1ccccc1 ZINC001545741514 1067008248 /nfs/dbraw/zinc/00/82/48/1067008248.db2.gz RROPFDAEDFOTOO-IERDGZPVSA-N 0 0 453.439 4.587 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1ccc(OCc2ccncc2)cc1 ZINC001458231845 1067008477 /nfs/dbraw/zinc/00/84/77/1067008477.db2.gz NLFZHDWHFSSBGE-UHFFFAOYSA-N 0 0 455.352 4.794 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001449410887 1067008527 /nfs/dbraw/zinc/00/85/27/1067008527.db2.gz SHGPEBRQLPFKGQ-MDNUFGMLSA-N 0 0 454.998 4.822 20 0 JJADRN CC[C@H](c1nnc(N2CCC(F)(F)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545741833 1067008546 /nfs/dbraw/zinc/00/85/46/1067008546.db2.gz XNRLWNXKUIFQRS-FQEVSTJZSA-N 0 0 475.584 4.922 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1)OC ZINC001546014131 1067008928 /nfs/dbraw/zinc/00/89/28/1067008928.db2.gz BUOVCAOUUZOTQF-IBGZPJMESA-N 0 0 475.062 4.766 20 0 JJADRN CC[C@H](c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CC1(CCOC)CCCC1)c1ccccc1 ZINC001545741898 1067009026 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CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001458274698 1067018584 /nfs/dbraw/zinc/01/85/84/1067018584.db2.gz GWPLIUHEFFWXCJ-RZJPEOLTSA-N 0 0 456.558 4.643 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545748892 1067019034 /nfs/dbraw/zinc/01/90/34/1067019034.db2.gz GTGGNEVTNJHVJC-ZEQRLZLVSA-N 0 0 477.653 4.659 20 0 JJADRN O=C(COc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001546016012 1067019023 /nfs/dbraw/zinc/01/90/23/1067019023.db2.gz ROFNQEYYWKRFLH-VWLOTQADSA-N 0 0 455.476 4.947 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccn1)c1ccccc1 ZINC001545749346 1067019629 /nfs/dbraw/zinc/01/96/29/1067019629.db2.gz MZSAGPVCVFYBNU-ZEQRLZLVSA-N 0 0 490.652 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)COc3c(Cl)cccc3Cl)C2)C1 ZINC001449682434 1067019931 /nfs/dbraw/zinc/01/99/31/1067019931.db2.gz BHEAMQFBHKQLTG-CVEARBPZSA-N 0 0 457.398 4.868 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H]2c2ccsc2)n1CCS(=O)(=O)CC)c1ccccc1 ZINC001545749460 1067020205 /nfs/dbraw/zinc/02/02/05/1067020205.db2.gz OHGVTMCVFZRWAP-SFTDATJTSA-N 0 0 458.653 4.658 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001458282145 1067020343 /nfs/dbraw/zinc/02/03/43/1067020343.db2.gz LUTMYHSMOBTMBM-MRFFXTKBSA-N 0 0 453.341 4.630 20 0 JJADRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001458282146 1067020372 /nfs/dbraw/zinc/02/03/72/1067020372.db2.gz LUTMYHSMOBTMBM-SVIJTADQSA-N 0 0 453.341 4.630 20 0 JJADRN CCc1cc(C)nc(Sc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)n1 ZINC001458280486 1067020402 /nfs/dbraw/zinc/02/04/02/1067020402.db2.gz ZPZPRZDNJJHWAS-UHFFFAOYSA-N 0 0 453.365 4.960 20 0 JJADRN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N(C)[C@H](CC)CSC)c2c1C ZINC001458281324 1067020431 /nfs/dbraw/zinc/02/04/31/1067020431.db2.gz LUNVKBSUPMHNJF-MRXNPFEDSA-N 0 0 450.674 4.740 20 0 JJADRN COc1cc([C@H](NC(=O)/C=C\c2cnc(C(C)(C)C)s2)C(F)(F)F)cc(OC)c1OC ZINC001458279968 1067020579 /nfs/dbraw/zinc/02/05/79/1067020579.db2.gz HSSUUUKVEIVCML-ZEVQVBBLSA-N 0 0 458.502 4.899 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)CCCOc3ccc(F)cc3F)C2)C1 ZINC001449691850 1067020662 /nfs/dbraw/zinc/02/06/62/1067020662.db2.gz HJHXAZKFCGNFSC-ROUUACIJSA-N 0 0 452.542 4.619 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](COC)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545749692 1067020972 /nfs/dbraw/zinc/02/09/72/1067020972.db2.gz REHMGPCMVJFHOE-REWPJTCUSA-N 0 0 483.657 4.550 20 0 JJADRN COc1ccc(C[C@@H](C)CN(C)c2ncnc(CC(C)C)c2I)cc1 ZINC001458284796 1067021526 /nfs/dbraw/zinc/02/15/26/1067021526.db2.gz GEUXMEQTHAJMCG-OAHLLOKOSA-N 0 0 453.368 4.603 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545749933 1067021499 /nfs/dbraw/zinc/02/14/99/1067021499.db2.gz VVTYQWKHBPNJOJ-CJRSTVEYSA-N 0 0 481.685 4.766 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCC1(O)CCC1)c1ccccc1 ZINC001545749997 1067021610 /nfs/dbraw/zinc/02/16/10/1067021610.db2.gz WTRPWUSBESRJFB-PMACEKPBSA-N 0 0 466.548 4.673 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1cscc1C)c1ccccc1 ZINC001545750136 1067021748 /nfs/dbraw/zinc/02/17/48/1067021748.db2.gz YOQRUBHZOMIJIQ-GOTSBHOMSA-N 0 0 454.640 4.870 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1)c1ccccc1 ZINC001545750054 1067021850 /nfs/dbraw/zinc/02/18/50/1067021850.db2.gz XMJBRCSFSJWYPW-ZKMPZPQNSA-N 0 0 483.701 4.572 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1)c1ccccc1 ZINC001545750053 1067021993 /nfs/dbraw/zinc/02/19/93/1067021993.db2.gz XMJBRCSFSJWYPW-QLBJFCOMSA-N 0 0 483.701 4.572 20 0 JJADRN CC[C@@H](OC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cc(C)ccc1OC ZINC001458287099 1067021880 /nfs/dbraw/zinc/02/18/80/1067021880.db2.gz VUSPXEIIPRGYLM-AKXFXYSNSA-N 0 0 457.592 4.711 20 0 JJADRN CCCN(CC)c1ccc(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)cc1 ZINC001458288164 1067022288 /nfs/dbraw/zinc/02/22/88/1067022288.db2.gz FBHGUAVOMSZKOR-OAQYLSRUSA-N 0 0 454.489 4.982 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]2CSC)n1CCOc1ncccc1F)c1ccccc1 ZINC001545750224 1067022510 /nfs/dbraw/zinc/02/25/10/1067022510.db2.gz ZONSBHDOLOACMM-WOJBJXKFSA-N 0 0 455.603 4.765 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N(C)Cc1ncc(Cl)n1C ZINC001458291010 1067022969 /nfs/dbraw/zinc/02/29/69/1067022969.db2.gz LHZPDTVFBJVFDM-UHFFFAOYSA-N 0 0 453.793 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)C1 ZINC001449717044 1067022868 /nfs/dbraw/zinc/02/28/68/1067022868.db2.gz YHSWGNMENLBIGL-MOPGFXCFSA-N 0 0 451.007 4.995 20 0 JJADRN Cc1cc(NC(=O)c2cc(Br)nc(Br)c2)nn1-c1ccc(C)cc1 ZINC001458294040 1067023362 /nfs/dbraw/zinc/02/33/62/1067023362.db2.gz IDCQOCRHIRUHPH-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN Cc1ccc(C[C@@H](CO)CNC(=O)c2cc(Cl)ccc2OC(C)C)cc1Br ZINC001449732339 1067023739 /nfs/dbraw/zinc/02/37/39/1067023739.db2.gz MVEAWOARDLOYJJ-MRXNPFEDSA-N 0 0 454.792 4.779 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)cc1 ZINC001458295035 1067023721 /nfs/dbraw/zinc/02/37/21/1067023721.db2.gz WGTBXLWQFFYMCZ-ZIAGYGMSSA-N 0 0 456.391 4.558 20 0 JJADRN CSc1ccc(C)c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC001458295131 1067024100 /nfs/dbraw/zinc/02/41/00/1067024100.db2.gz WXMKCOXDZTXMHZ-MRXNPFEDSA-N 0 0 452.363 4.867 20 0 JJADRN COc1cc([C@@H](NC(=O)C[C@H]2OCc3cc(Cl)ccc32)C(F)(F)F)cc(OC)c1OC ZINC001458295182 1067024198 /nfs/dbraw/zinc/02/41/98/1067024198.db2.gz XEKRXFLYBDHNAA-FOIQADDNSA-N 0 0 459.848 4.747 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1)OC ZINC001546016516 1067024227 /nfs/dbraw/zinc/02/42/27/1067024227.db2.gz GFYIZAOKBUDBRE-RTWAWAEBSA-N 0 0 457.619 4.802 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC[C@H]1c1ccc(C)o1 ZINC001458296060 1067024367 /nfs/dbraw/zinc/02/43/67/1067024367.db2.gz QGDCFDYWCKXKSH-VQTJNVASSA-N 0 0 456.539 4.522 20 0 JJADRN COc1cc([C@H](NC(=O)c2cnc(Cl)c3ccccc23)C(F)(F)F)cc(OC)c1OC ZINC001458295879 1067024491 /nfs/dbraw/zinc/02/44/91/1067024491.db2.gz ZAYIGDOIPIKAPN-SFHVURJKSA-N 0 0 454.832 4.947 20 0 JJADRN COC[C@H](CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1 ZINC001449742742 1067024548 /nfs/dbraw/zinc/02/45/48/1067024548.db2.gz LAORLHUTBKSXEY-SIKLNZKXSA-N 0 0 458.986 4.721 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCCSC)c1ccccc1 ZINC001545751550 1067024664 /nfs/dbraw/zinc/02/46/64/1067024664.db2.gz HPRMILVQZUHARS-QFIPXVFZSA-N 0 0 473.687 4.878 20 0 JJADRN COC[C@@]1(CO)CCN(C(=O)c2ccc(N[C@@H](C)c3cc(Cl)ccc3Cl)c(C)c2)C1 ZINC001449745628 1067024650 /nfs/dbraw/zinc/02/46/50/1067024650.db2.gz KLOZIAQRUVGTEC-HJPURHCSSA-N 0 0 451.394 4.946 20 0 JJADRN CCCc1sc(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)cc1CC ZINC001449744476 1067024669 /nfs/dbraw/zinc/02/46/69/1067024669.db2.gz ACQKROKCNVUCCB-HNNXBMFYSA-N 0 0 454.430 4.615 20 0 JJADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458299347 1067024827 /nfs/dbraw/zinc/02/48/27/1067024827.db2.gz YXJZZLPKMYBGPF-CWVNLOTRSA-N 0 0 453.341 4.630 20 0 JJADRN Cc1cc(N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nc(-c2cccnc2)n1 ZINC001458305743 1067025559 /nfs/dbraw/zinc/02/55/59/1067025559.db2.gz KPLKUNOLGHALBB-LJQANCHMSA-N 0 0 452.356 4.525 20 0 JJADRN CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1CC1(OCCOC)CCOCC1)c1ccccc1 ZINC001545752023 1067026089 /nfs/dbraw/zinc/02/60/89/1067026089.db2.gz PLALOHHGOCOGCH-ISKFKSNPSA-N 0 0 470.658 4.659 20 0 JJADRN Cc1ccc(C[C@H](CO)CNC(=O)c2cc3c(ccnc3Cl)s2)cc1Br ZINC001449766458 1067026496 /nfs/dbraw/zinc/02/64/96/1067026496.db2.gz WIPAOXQCJPTLRI-ZDUSSCGKSA-N 0 0 453.789 4.602 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC001458309102 1067026600 /nfs/dbraw/zinc/02/66/00/1067026600.db2.gz LTEULNIVABVIKY-ZRDIBKRKSA-N 0 0 455.255 4.875 20 0 JJADRN FC(F)(F)c1nc(NC[C@@H]2CSCCN2Cc2ccccc2)sc1Br ZINC001458313443 1067027004 /nfs/dbraw/zinc/02/70/04/1067027004.db2.gz MJMKPQWQVSKURO-GFCCVEGCSA-N 0 0 452.365 4.954 20 0 JJADRN NC(=O)c1cccc(CSc2ncnc3scc(-c4ccc(Br)cc4)c32)n1 ZINC001458312059 1067027076 /nfs/dbraw/zinc/02/70/76/1067027076.db2.gz ZBVPOCCMPAZCHD-UHFFFAOYSA-N 0 0 457.378 4.907 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](COC)C2)n1CCCN1CCCCCC1=O)c1ccccc1 ZINC001545752138 1067027040 /nfs/dbraw/zinc/02/70/40/1067027040.db2.gz RIIBDVANCJDCQI-ZCYQVOJMSA-N 0 0 481.685 4.866 20 0 JJADRN CC[C@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545752158 1067027090 /nfs/dbraw/zinc/02/70/90/1067027090.db2.gz RTGJJOCXMBMIRB-OALUTQOASA-N 0 0 472.577 4.566 20 0 JJADRN CC[C@H](c1nnc(N2CCCN(c3nccs3)CC2)n1CCCOC(F)F)c1ccccc1 ZINC001545752169 1067027119 /nfs/dbraw/zinc/02/71/19/1067027119.db2.gz SBRKSDHIENKQHW-IBGZPJMESA-N 0 0 476.597 4.623 20 0 JJADRN CC[C@H](c1nnc(N2CCCO[C@H](C)C2)n1Cc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC001545752194 1067027170 /nfs/dbraw/zinc/02/71/70/1067027170.db2.gz SGHAYAFZLSVCON-WBVHZDCISA-N 0 0 465.545 4.959 20 0 JJADRN Cc1c(NC(=O)c2ccc(Br)cc2I)cccc1N(C)C ZINC001458314814 1067027820 /nfs/dbraw/zinc/02/78/20/1067027820.db2.gz HEPCBYFROHAKEQ-UHFFFAOYSA-N 0 0 459.125 4.680 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNc3ncnc4ccc(Br)cc43)c2)n1 ZINC001458314508 1067027835 /nfs/dbraw/zinc/02/78/35/1067027835.db2.gz PXKVNGCETBRNFR-UHFFFAOYSA-N 0 0 455.337 4.915 20 0 JJADRN CC[C@@H](c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1(OC)CCCC1)c1ccccc1 ZINC001545752420 1067028155 /nfs/dbraw/zinc/02/81/55/1067028155.db2.gz XHPLLFOLLJVBNC-OAQYLSRUSA-N 0 0 479.591 4.854 20 0 JJADRN CC(C)(C)CC[C@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C ZINC001449788825 1067028251 /nfs/dbraw/zinc/02/82/51/1067028251.db2.gz XAPRBWICUQLZGW-MSOLQXFVSA-N 0 0 452.636 4.676 20 0 JJADRN Cc1nc2sc3c(c2c(N(CCO)Cc2cc(Br)cs2)n1)CC[C@H](C)C3 ZINC001458316429 1067028478 /nfs/dbraw/zinc/02/84/78/1067028478.db2.gz WXBMACVDQDFHCI-NSHDSACASA-N 0 0 452.443 4.947 20 0 JJADRN Cc1nc2sc3c(c2c(N(CCO)Cc2cc(Br)cs2)n1)CC[C@@H](C)C3 ZINC001458316428 1067028712 /nfs/dbraw/zinc/02/87/12/1067028712.db2.gz WXBMACVDQDFHCI-LLVKDONJSA-N 0 0 452.443 4.947 20 0 JJADRN CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2nnc3ccc(Br)cn32)cc1 ZINC001449789756 1067028793 /nfs/dbraw/zinc/02/87/93/1067028793.db2.gz NSQVKOKDEGRGOY-UHFFFAOYSA-N 0 0 450.296 4.690 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1oc(=O)c2ccccc2c1C)C(F)(F)F ZINC001458318377 1067028994 /nfs/dbraw/zinc/02/89/94/1067028994.db2.gz OUSLEKOFRFNVJD-NRFANRHFSA-N 0 0 455.436 4.937 20 0 JJADRN CN1CCCc2cc(COC(=O)c3cnnn3-c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC001458319272 1067029149 /nfs/dbraw/zinc/02/91/49/1067029149.db2.gz UGAKXOPYXSGHPK-UHFFFAOYSA-N 0 0 450.848 4.679 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001449795145 1067029113 /nfs/dbraw/zinc/02/91/13/1067029113.db2.gz WZUMZLADDZGNFE-GOSISDBHSA-N 0 0 459.315 4.592 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCCC(C)(C)COC)c1ccccc1 ZINC001545753910 1067029534 /nfs/dbraw/zinc/02/95/34/1067029534.db2.gz AUPVFDOHVWKBPG-HSZRJFAPSA-N 0 0 498.716 4.903 20 0 JJADRN CON(C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[C@@H](C)c1csc(C)n1 ZINC001449801565 1067029726 /nfs/dbraw/zinc/02/97/26/1067029726.db2.gz USTWQSJULFFTTF-CMPLNLGQSA-N 0 0 452.627 4.552 20 0 JJADRN CC[C@@H](Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1)OC ZINC001546017357 1067029818 /nfs/dbraw/zinc/02/98/18/1067029818.db2.gz SUQVICLAQJKURG-UNMCSNQZSA-N 0 0 483.657 4.619 20 0 JJADRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC001458320834 1067029945 /nfs/dbraw/zinc/02/99/45/1067029945.db2.gz DJYGODBIRZMKLC-KSFYIVLOSA-N 0 0 455.352 4.929 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCCCCC1)c1ccccc1 ZINC001545754049 1067029967 /nfs/dbraw/zinc/02/99/67/1067029967.db2.gz DMROENUJFRIEFR-QHCPKHFHSA-N 0 0 497.684 4.962 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC(C)(C)OC)c1ccccc1 ZINC001545754206 1067030014 /nfs/dbraw/zinc/03/00/14/1067030014.db2.gz IGXJWUUGWMUKPE-CTNGQTDRSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545753979 1067030135 /nfs/dbraw/zinc/03/01/35/1067030135.db2.gz CFJBKEQOZAWGED-IRMYBRCSSA-N 0 0 483.657 4.691 20 0 JJADRN COC(=O)c1cc(Br)cc(OC(=O)[C@H]2CCc3cc(Br)ccc32)c1 ZINC001458322263 1067030134 /nfs/dbraw/zinc/03/01/34/1067030134.db2.gz PJEMGLILUNCWIN-INIZCTEOSA-N 0 0 454.114 4.634 20 0 JJADRN COc1ccc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1Br ZINC001458321978 1067030236 /nfs/dbraw/zinc/03/02/36/1067030236.db2.gz GNNOJCIICOHXKE-APPDUMDISA-N 0 0 457.162 4.726 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)Nc3c(F)cc(C)cc3I)cs2)o1 ZINC001458322061 1067030292 /nfs/dbraw/zinc/03/02/92/1067030292.db2.gz NGKHVYPNYIQPPM-UHFFFAOYSA-N 0 0 456.280 4.945 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)COC)c1ccccc1 ZINC001545754041 1067030222 /nfs/dbraw/zinc/03/02/22/1067030222.db2.gz DIIFVHAYJRHHGC-VWPQPMDRSA-N 0 0 471.646 4.548 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545754217 1067030621 /nfs/dbraw/zinc/03/06/21/1067030621.db2.gz ILXXRHJMYSZJRL-CBJLPSGESA-N 0 0 497.684 4.938 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001458322899 1067030616 /nfs/dbraw/zinc/03/06/16/1067030616.db2.gz KOIMHHHSKQJTCZ-FXCLAUTBSA-N 0 0 452.389 4.710 20 0 JJADRN Cc1cc(F)c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(I)c1 ZINC001458323541 1067030642 /nfs/dbraw/zinc/03/06/42/1067030642.db2.gz VTNISFSYGZJACQ-UHFFFAOYSA-N 0 0 459.690 4.640 20 0 JJADRN O=C(c1cc2cccc(C(F)(F)F)c2[nH]c1=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC001449831464 1067030625 /nfs/dbraw/zinc/03/06/25/1067030625.db2.gz RGADBTKITBITJL-UHFFFAOYSA-N 0 0 451.395 4.590 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](c3nc(C(C)C)cs3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001546017511 1067030686 /nfs/dbraw/zinc/03/06/86/1067030686.db2.gz VXAFZDADINZMLQ-WZOHSFFVSA-N 0 0 491.702 4.708 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546017506 1067030726 /nfs/dbraw/zinc/03/07/26/1067030726.db2.gz VTWNOOCUUBEQMD-RBUKOAKNSA-N 0 0 470.593 4.723 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1CC(F)(F)C1)c1ccccc1 ZINC001545754333 1067030728 /nfs/dbraw/zinc/03/07/28/1067030728.db2.gz KNPJNUADUOJMQQ-FQEVSTJZSA-N 0 0 459.585 4.560 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545754415 1067030744 /nfs/dbraw/zinc/03/07/44/1067030744.db2.gz MJXYRBRHZGNLKB-HSZRJFAPSA-N 0 0 460.626 4.614 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545754302 1067030754 /nfs/dbraw/zinc/03/07/54/1067030754.db2.gz KAXJGRKEIUEUKK-CVDCTZTESA-N 0 0 478.641 4.533 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC001545754351 1067030971 /nfs/dbraw/zinc/03/09/71/1067030971.db2.gz KXDZDSVRWUXMCW-MSNJVRRCSA-N 0 0 497.684 4.986 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C)s1)c1ccccc1 ZINC001545754463 1067031171 /nfs/dbraw/zinc/03/11/71/1067031171.db2.gz NJUIIRUKCDFMMR-JOCHJYFZSA-N 0 0 451.640 4.543 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1OCCC1(C)C)c1ccccc1 ZINC001545754746 1067031639 /nfs/dbraw/zinc/03/16/39/1067031639.db2.gz UFPQHNLYYGDWDR-YADHBBJMSA-N 0 0 483.657 4.692 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)NCCc2ccccc2N2CCOCC2)c(C(C)(C)C)c1 ZINC001449844129 1067031728 /nfs/dbraw/zinc/03/17/28/1067031728.db2.gz ITFSKBSQNDQWPP-UHFFFAOYSA-N 0 0 452.639 4.856 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001458327540 1067031680 /nfs/dbraw/zinc/03/16/80/1067031680.db2.gz VVVDTTXISHCSMJ-LLVKDONJSA-N 0 0 457.137 4.703 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOC(C)C)c1ccccc1 ZINC001545754781 1067031785 /nfs/dbraw/zinc/03/17/85/1067031785.db2.gz UYZSPALATYIYDW-IFMALSPDSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545754708 1067031816 /nfs/dbraw/zinc/03/18/16/1067031816.db2.gz STTHVBIJYJGDLB-ZLNRFVROSA-N 0 0 483.657 4.692 20 0 JJADRN Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)nn1-c1ccccc1 ZINC001449845282 1067031851 /nfs/dbraw/zinc/03/18/51/1067031851.db2.gz XRFTYKXLLFOGQQ-AWEZNQCLSA-N 0 0 457.456 4.745 20 0 JJADRN CO[C@@H](C)CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001449850215 1067031956 /nfs/dbraw/zinc/03/19/56/1067031956.db2.gz SJVYBWQVYIHZTA-SIBVEZHUSA-N 0 0 458.558 4.808 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC(F)(F)F)c1ccccc1 ZINC001545754910 1067032235 /nfs/dbraw/zinc/03/22/35/1067032235.db2.gz YISRLGOQELHLBM-FUHWJXTLSA-N 0 0 467.536 4.828 20 0 JJADRN FC(F)Oc1ccccc1CCNc1nc(C(F)(F)F)ccc1I ZINC001458330375 1067032406 /nfs/dbraw/zinc/03/24/06/1067032406.db2.gz HZDGEKYAOGQVDM-UHFFFAOYSA-N 0 0 458.168 4.961 20 0 JJADRN COC(=O)[C@H](COC1CCC1)N(C)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC001545755562 1067032463 /nfs/dbraw/zinc/03/24/63/1067032463.db2.gz NPXKJEZWFKGYHG-FQEVSTJZSA-N 0 0 458.624 4.749 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC001449852558 1067032477 /nfs/dbraw/zinc/03/24/77/1067032477.db2.gz IZXDAUANHBPXLQ-UHFFFAOYSA-N 0 0 453.262 4.595 20 0 JJADRN O[C@@H](CN(Cc1ccccc1)c1nnc(-c2ccccn2)s1)c1cccc(OC(F)F)c1 ZINC001458332753 1067032851 /nfs/dbraw/zinc/03/28/51/1067032851.db2.gz SJEVLJWTOYRZSG-FQEVSTJZSA-N 0 0 454.502 4.942 20 0 JJADRN O=C(C[C@H]1Oc2ccccc2NC1=O)NCC1(c2ccccc2Br)CCCCC1 ZINC001449870183 1067033205 /nfs/dbraw/zinc/03/32/05/1067033205.db2.gz VNUXSVIUOSIEFE-HXUWFJFHSA-N 0 0 457.368 4.557 20 0 JJADRN CC[C@H](Cn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017708 1067033247 /nfs/dbraw/zinc/03/32/47/1067033247.db2.gz ZXKJTOFAYSNKIP-CTNGQTDRSA-N 0 0 471.646 4.927 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545756399 1067033399 /nfs/dbraw/zinc/03/33/99/1067033399.db2.gz HFKQIUPBTKCBCT-TZBSWOFLSA-N 0 0 497.684 4.938 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H]1CCC[C@H]1OC)c1ccccc1 ZINC001545756228 1067033570 /nfs/dbraw/zinc/03/35/70/1067033570.db2.gz CYNGBZJRFHOMTL-WXFUMESZSA-N 0 0 483.657 4.550 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CCCOC(F)F)c1ccccc1 ZINC001545756367 1067033586 /nfs/dbraw/zinc/03/35/86/1067033586.db2.gz GMTGPOCQRHYTBQ-JOCHJYFZSA-N 0 0 489.611 4.821 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CC(C)(C)COC)c1ccccc1 ZINC001545756327 1067033617 /nfs/dbraw/zinc/03/36/17/1067033617.db2.gz FSUSSFCRXURPIX-JOCHJYFZSA-N 0 0 482.698 4.893 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(CCC(C)C)c1nnc(C)c2ccccc21)c1ccc(F)cc1F ZINC001458336267 1067033846 /nfs/dbraw/zinc/03/38/46/1067033846.db2.gz TZDADQMGJWTBBE-QHCPKHFHSA-N 0 0 454.521 4.863 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CCC(=O)N2C)cc1 ZINC001458335644 1067033930 /nfs/dbraw/zinc/03/39/30/1067033930.db2.gz RATAPDYOZBMRSY-AUSIDOKSSA-N 0 0 457.521 4.512 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001546099567 1067034104 /nfs/dbraw/zinc/03/41/04/1067034104.db2.gz HZONDVWPHLJPMP-OOXUFLSTSA-N 0 0 490.714 4.707 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3CC[C@@](F)(c4ccccc4C)C3)c2c1C ZINC001458337911 1067034122 /nfs/dbraw/zinc/03/41/22/1067034122.db2.gz MBOYZQQRAFKUCD-DEOSSOPVSA-N 0 0 456.587 4.622 20 0 JJADRN C[C@H](N(C)C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O ZINC001449889049 1067034383 /nfs/dbraw/zinc/03/43/83/1067034383.db2.gz LJGHUPHVRGAKFU-SFHVURJKSA-N 0 0 452.595 4.702 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc1OC ZINC001458336610 1067034387 /nfs/dbraw/zinc/03/43/87/1067034387.db2.gz XJOVUTSACMIXCN-UHFFFAOYSA-N 0 0 455.299 4.987 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC001458338534 1067034756 /nfs/dbraw/zinc/03/47/56/1067034756.db2.gz PVGCBKRNEJIODG-FQEVSTJZSA-N 0 0 452.839 4.683 20 0 JJADRN Ic1ccc2ncnc(Nc3cccc(OCc4ccccn4)c3)c2c1 ZINC001458338739 1067034773 /nfs/dbraw/zinc/03/47/73/1067034773.db2.gz FBAIPTNYROJPJR-UHFFFAOYSA-N 0 0 454.271 4.952 20 0 JJADRN CN(Cc1ccc(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1)C(=O)OC(C)(C)C ZINC001449898749 1067035189 /nfs/dbraw/zinc/03/51/89/1067035189.db2.gz JBNQZPWIYCURSF-NRFANRHFSA-N 0 0 453.539 4.576 20 0 JJADRN CCCN(c1cc(C(N)=O)ncn1)[C@@H](CCc1cccs1)c1ccc(Br)cc1 ZINC001458340580 1067035286 /nfs/dbraw/zinc/03/52/86/1067035286.db2.gz JBXIJRBALVDLLF-IBGZPJMESA-N 0 0 459.413 4.990 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545757236 1067035474 /nfs/dbraw/zinc/03/54/74/1067035474.db2.gz WADYWHYXESVITF-IRLDBZIGSA-N 0 0 482.698 4.975 20 0 JJADRN CC[C@H](c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCOC(F)F)c1ccccc1 ZINC001545757277 1067035486 /nfs/dbraw/zinc/03/54/86/1067035486.db2.gz WRCMZSBLHBIJIY-AEFFLSMTSA-N 0 0 475.506 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3nccnc3C)CC2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545757181 1067035604 /nfs/dbraw/zinc/03/56/04/1067035604.db2.gz VFCNPKPVUBTAME-HSZRJFAPSA-N 0 0 461.658 4.927 20 0 JJADRN CC[C@H](c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1C[C@H](C)SC)c1ccccc1 ZINC001545757450 1067035863 /nfs/dbraw/zinc/03/58/63/1067035863.db2.gz ZHMOXQSEKYDNEE-UNMCSNQZSA-N 0 0 479.698 4.812 20 0 JJADRN CN(Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1)C(=O)OC(C)(C)C ZINC001449904739 1067036068 /nfs/dbraw/zinc/03/60/68/1067036068.db2.gz XGNKFNDUUKMYRU-UHFFFAOYSA-N 0 0 450.539 4.664 20 0 JJADRN CCCO[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1C ZINC001458342817 1067036219 /nfs/dbraw/zinc/03/62/19/1067036219.db2.gz FJYAVQZMECJYCB-VQTJNVASSA-N 0 0 453.341 4.830 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)C2CCC(CO)CC2)c(OC)c1 ZINC001545757851 1067036369 /nfs/dbraw/zinc/03/63/69/1067036369.db2.gz OIXHGOUIBNNCMA-UHFFFAOYSA-N 0 0 450.579 4.794 20 0 JJADRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001458344159 1067036721 /nfs/dbraw/zinc/03/67/21/1067036721.db2.gz AETRPMATSIGEIP-VZPUWSDOSA-N 0 0 451.485 4.556 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCc1ccsc1)c1ccccc1 ZINC001545758166 1067036830 /nfs/dbraw/zinc/03/68/30/1067036830.db2.gz AWGKAUSNRJSWQO-OFNKIYASSA-N 0 0 465.667 4.817 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCCSC)c1ccccc1 ZINC001545758217 1067036954 /nfs/dbraw/zinc/03/69/54/1067036954.db2.gz BZTDVJKBJNTSHF-LJQANCHMSA-N 0 0 455.594 4.648 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[S@@](=O)C(F)(F)F ZINC001458344844 1067037043 /nfs/dbraw/zinc/03/70/43/1067037043.db2.gz JJEAVPHEIXPVBP-NQNZVUTLSA-N 0 0 451.297 4.630 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(F)c(SC)c1 ZINC001546018243 1067037414 /nfs/dbraw/zinc/03/74/14/1067037414.db2.gz VXOZPTUOLURGEW-UHFFFAOYSA-N 0 0 453.605 4.652 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2ccc(-c3cccc(C)c3)n2C)c1 ZINC001449922948 1067037889 /nfs/dbraw/zinc/03/78/89/1067037889.db2.gz ZOILMEVDWBAQHF-QFIPXVFZSA-N 0 0 457.368 4.577 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458347267 1067037899 /nfs/dbraw/zinc/03/78/99/1067037899.db2.gz OOSMOFUCBLTEGZ-DYESRHJHSA-N 0 0 459.608 4.637 20 0 JJADRN CC[C@H](CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC(=O)OC(C)(C)C ZINC001449939485 1067038461 /nfs/dbraw/zinc/03/84/61/1067038461.db2.gz HZBKSRJTKVAXFA-OAHLLOKOSA-N 0 0 457.518 4.791 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458349203 1067038907 /nfs/dbraw/zinc/03/89/07/1067038907.db2.gz SEQPPPOWONQZPG-WZONZLPQSA-N 0 0 450.579 4.834 20 0 JJADRN CCCn1ncc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)c1C1CC1 ZINC001449953740 1067038852 /nfs/dbraw/zinc/03/88/52/1067038852.db2.gz SCWPVJVGMKINGO-UHFFFAOYSA-N 0 0 456.543 4.671 20 0 JJADRN C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001449962944 1067039365 /nfs/dbraw/zinc/03/93/65/1067039365.db2.gz ALBYMOLLPITHSC-SECBINFHSA-N 0 0 454.155 4.936 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1)NC(=O)OC(C)(C)C ZINC001546018577 1067039499 /nfs/dbraw/zinc/03/94/99/1067039499.db2.gz FCSYCTMKBGMJDA-UWHLTILDSA-N 0 0 493.693 4.505 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CCC(C)C)c1ccccc1 ZINC001545758791 1067040279 /nfs/dbraw/zinc/04/02/79/1067040279.db2.gz MUOOFRIYTQQYCE-SANMLTNESA-N 0 0 494.728 4.779 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001545759751 1067040499 /nfs/dbraw/zinc/04/04/99/1067040499.db2.gz GELIWLWSGCKBMP-CQSZACIVSA-N 0 0 457.518 4.520 20 0 JJADRN CN(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001458353545 1067040413 /nfs/dbraw/zinc/04/04/13/1067040413.db2.gz ZPBHADKPNOIFQP-IBGZPJMESA-N 0 0 451.792 4.746 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2ccc(Br)cc2)n1 ZINC001458353418 1067040582 /nfs/dbraw/zinc/04/05/82/1067040582.db2.gz BTCGOTUCPXZYQN-SFHVURJKSA-N 0 0 452.274 4.928 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C[C@@H]3C)c2)c1 ZINC001450011056 1067041417 /nfs/dbraw/zinc/04/14/17/1067041417.db2.gz UJFZWKRYOPVKJQ-FUHWJXTLSA-N 0 0 454.514 4.907 20 0 JJADRN CC[C@H](c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCc1cccc(C)n1)c1ccccc1 ZINC001545759282 1067041418 /nfs/dbraw/zinc/04/14/18/1067041418.db2.gz VUXFJEAKDILZDW-OFNKIYASSA-N 0 0 486.586 4.839 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1)OC ZINC001546018831 1067041532 /nfs/dbraw/zinc/04/15/32/1067041532.db2.gz JCTTXMYRPMDIEK-MLDBQTBOSA-N 0 0 456.631 4.972 20 0 JJADRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC001458359627 1067041637 /nfs/dbraw/zinc/04/16/37/1067041637.db2.gz PHKOPSYRAYOYDK-UHFFFAOYSA-N 0 0 458.747 4.969 20 0 JJADRN CCC[C@@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c21)[C@H](O)c1ccccc1 ZINC001458362051 1067042638 /nfs/dbraw/zinc/04/26/38/1067042638.db2.gz CUHBFKORCYHZNA-YLJYHZDGSA-N 0 0 456.612 4.552 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](CCO)c3cccc(C(F)(F)F)c3)cc12 ZINC001450026046 1067042770 /nfs/dbraw/zinc/04/27/70/1067042770.db2.gz IXHHZQPZNSPMFA-NRFANRHFSA-N 0 0 454.452 4.601 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1cccc2c(Br)cccc12)C(F)F ZINC001450032844 1067043037 /nfs/dbraw/zinc/04/30/37/1067043037.db2.gz RQWDFXLMMQEKOM-MRXNPFEDSA-N 0 0 457.315 4.881 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc(Cl)c(Br)cc1F)C(F)F ZINC001450029175 1067043158 /nfs/dbraw/zinc/04/31/58/1067043158.db2.gz MGNVDBUAJLSXDA-LBPRGKRZSA-N 0 0 459.690 4.520 20 0 JJADRN COc1cc(C(=O)NC[C@H]2CCO[C@@H](C)C2)ccc1OCc1ccc(Br)s1 ZINC001458368534 1067043213 /nfs/dbraw/zinc/04/32/13/1067043213.db2.gz MGWINYBZEPXPPZ-KBPBESRZSA-N 0 0 454.386 4.643 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759557 1067043390 /nfs/dbraw/zinc/04/33/90/1067043390.db2.gz ZLRFRNBJWWFPIH-YADHBBJMSA-N 0 0 471.715 4.902 20 0 JJADRN O=C(COc1ccc(OCc2ccccc2)cc1)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450034277 1067043626 /nfs/dbraw/zinc/04/36/26/1067043626.db2.gz YAVBMVDZMBZFQS-HSZRJFAPSA-N 0 0 459.464 4.903 20 0 JJADRN O=C(Oc1cc(Cl)cnc1Br)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001458369325 1067043711 /nfs/dbraw/zinc/04/37/11/1067043711.db2.gz KRZFWZHSRHGZBF-NSHDSACASA-N 0 0 452.761 4.929 20 0 JJADRN CC[C@H](c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC001545760872 1067044391 /nfs/dbraw/zinc/04/43/91/1067044391.db2.gz JRQVHCXLHUGDJT-NLDTVIPQSA-N 0 0 477.575 4.904 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1S(=O)(=O)C1CCCC1 ZINC001450046652 1067044479 /nfs/dbraw/zinc/04/44/79/1067044479.db2.gz JYCLQSUQIARETG-LJQANCHMSA-N 0 0 452.617 4.589 20 0 JJADRN Cc1ccc(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)cc1S(=O)(=O)C1CCCC1 ZINC001450046990 1067044493 /nfs/dbraw/zinc/04/44/93/1067044493.db2.gz OIVQEDKLCUAXGC-UHFFFAOYSA-N 0 0 452.617 4.685 20 0 JJADRN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001458370873 1067044462 /nfs/dbraw/zinc/04/44/62/1067044462.db2.gz YITCVHXZDGILJS-CYBMUJFWSA-N 0 0 458.278 4.819 20 0 JJADRN C[C@@H]1C[C@@H](CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)CCO1 ZINC001458371565 1067044583 /nfs/dbraw/zinc/04/45/83/1067044583.db2.gz SSUICDNUNRPPFG-NEPJUHHUSA-N 0 0 451.823 4.724 20 0 JJADRN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001450057080 1067045432 /nfs/dbraw/zinc/04/54/32/1067045432.db2.gz SGQLSXZDYWETRB-KRWDZBQOSA-N 0 0 453.695 4.702 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnccn1)Oc1cccc(F)c1 ZINC001546019188 1067045514 /nfs/dbraw/zinc/04/55/14/1067045514.db2.gz PMXFRPLRVWBLEE-YMPZKCBVSA-N 0 0 482.604 4.620 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545761932 1067045706 /nfs/dbraw/zinc/04/57/06/1067045706.db2.gz YXHKWSRZIDUHII-ZEQRLZLVSA-N 0 0 463.626 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)CCc1nc3cc(Cl)ccc3s1)CC2 ZINC001450061674 1067045707 /nfs/dbraw/zinc/04/57/07/1067045707.db2.gz NSULDFUOJLSSMJ-UHFFFAOYSA-N 0 0 450.004 4.742 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC001450060562 1067045738 /nfs/dbraw/zinc/04/57/38/1067045738.db2.gz WRJIQKCETOAKGN-CABCVRRESA-N 0 0 457.600 4.772 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2ccnc(OCC(F)(F)F)c2)cc1 ZINC001458376374 1067045809 /nfs/dbraw/zinc/04/58/09/1067045809.db2.gz MENHTEPXSZYFBN-UHFFFAOYSA-N 0 0 455.234 4.532 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1COC2(CCCCCC2)O1 ZINC001458375424 1067045875 /nfs/dbraw/zinc/04/58/75/1067045875.db2.gz IHKJKGBFOWIXKR-OAHLLOKOSA-N 0 0 453.402 4.574 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1ccc(OC(C)C)nc1)c1ccccc1 ZINC001545761929 1067045838 /nfs/dbraw/zinc/04/58/38/1067045838.db2.gz YXHKWSRZIDUHII-BJKOFHAPSA-N 0 0 463.626 4.912 20 0 JJADRN CC(C)(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(F)(F)F ZINC001458378009 1067046334 /nfs/dbraw/zinc/04/63/34/1067046334.db2.gz ARVUZUBSJMZSER-INIZCTEOSA-N 0 0 454.942 4.612 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)c2)cc1F ZINC001450063979 1067046273 /nfs/dbraw/zinc/04/62/73/1067046273.db2.gz KHPCTUYXONHOSH-QFIPXVFZSA-N 0 0 453.539 4.553 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1CC(O)(CC)CC)c1ccccc1 ZINC001545762979 1067046363 /nfs/dbraw/zinc/04/63/63/1067046363.db2.gz ASWHXLOIHUXRBH-LEWJYISDSA-N 0 0 469.655 4.714 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc(N(C)C(=O)OC(C)(C)C)nc3)C2=O)cc1 ZINC001450063963 1067046435 /nfs/dbraw/zinc/04/64/35/1067046435.db2.gz KBDWQZCVYPLDBC-FQEVSTJZSA-N 0 0 452.555 4.568 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccsc1Br)c1ccccc1 ZINC001545763165 1067046643 /nfs/dbraw/zinc/04/66/43/1067046643.db2.gz DHUHLCVJBSGROU-MOPGFXCFSA-N 0 0 491.455 4.544 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](COC)C2)n1Cc1ccsc1Br)c1ccccc1 ZINC001545763166 1067046712 /nfs/dbraw/zinc/04/67/12/1067046712.db2.gz DHUHLCVJBSGROU-OALUTQOASA-N 0 0 491.455 4.544 20 0 JJADRN C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450066890 1067046807 /nfs/dbraw/zinc/04/68/07/1067046807.db2.gz ZHAXFMFHOVLRFY-WSTZPKSXSA-N 0 0 458.578 4.862 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC[C@H]2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccccc1 ZINC001545763382 1067047071 /nfs/dbraw/zinc/04/70/71/1067047071.db2.gz HXXJZQPYIAZVSX-FCEUIQTBSA-N 0 0 471.646 4.594 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2Cc3cccc(C)c3CC2(C)C)cc1 ZINC001450073786 1067047286 /nfs/dbraw/zinc/04/72/86/1067047286.db2.gz RLEXYELFLKZDQA-UHFFFAOYSA-N 0 0 450.608 4.695 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545763402 1067047391 /nfs/dbraw/zinc/04/73/91/1067047391.db2.gz IETXOMGUADNHJH-FUHWJXTLSA-N 0 0 481.341 4.979 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](c3ccco3)C2)n1CC(F)(F)Br)c1ccccc1 ZINC001545763404 1067047577 /nfs/dbraw/zinc/04/75/77/1067047577.db2.gz IETXOMGUADNHJH-WMZOPIPTSA-N 0 0 481.341 4.979 20 0 JJADRN C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC001450073896 1067047392 /nfs/dbraw/zinc/04/73/92/1067047392.db2.gz KZWJGLGWVOKZKG-GFCCVEGCSA-N 0 0 455.843 4.758 20 0 JJADRN CC[C@@H](c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCCOC(F)(F)F)c1ccccc1 ZINC001545763690 1067047787 /nfs/dbraw/zinc/04/77/87/1067047787.db2.gz LWFZSSDZQCWSMX-NHCUHLMSSA-N 0 0 466.548 4.999 20 0 JJADRN O=C(Nc1cccc(C(=O)NC[C@@H]2CCc3ccccc3C2)c1)c1ccc(Br)o1 ZINC001458388149 1067048157 /nfs/dbraw/zinc/04/81/57/1067048157.db2.gz XSNWYLPXVIXJMF-OAHLLOKOSA-N 0 0 453.336 4.829 20 0 JJADRN CC(C)(C)C[C@@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C(F)(F)F ZINC001458388620 1067048174 /nfs/dbraw/zinc/04/81/74/1067048174.db2.gz SHNFIDBLVXDJGP-LLVKDONJSA-N 0 0 454.312 4.977 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc2)cc1 ZINC001458387879 1067048324 /nfs/dbraw/zinc/04/83/24/1067048324.db2.gz PVLMLZQWHQKMSP-HXUWFJFHSA-N 0 0 450.501 4.651 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1)[C@H]1C[C@@H]1C ZINC001450081706 1067048909 /nfs/dbraw/zinc/04/89/09/1067048909.db2.gz VWWCQDIDVPBEIS-UGSOOPFHSA-N 0 0 453.340 4.853 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC1CC1)NC(=O)OC(C)(C)C ZINC001546019369 1067048961 /nfs/dbraw/zinc/04/89/61/1067048961.db2.gz STVBYVRFAYKJIB-VAMGGRTRSA-N 0 0 463.667 4.736 20 0 JJADRN COc1ccc(-c2csc(NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)n2)cc1Cl ZINC001545765286 1067049646 /nfs/dbraw/zinc/04/96/46/1067049646.db2.gz XFRCJHOLSKZATF-KRWDZBQOSA-N 0 0 456.955 4.567 20 0 JJADRN O=C(NCC1CC(F)(F)C1)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC001450111792 1067049660 /nfs/dbraw/zinc/04/96/60/1067049660.db2.gz HDNWLWUHHPKLBZ-UHFFFAOYSA-N 0 0 456.514 4.930 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C\c1ccc(SC)s1 ZINC001545765163 1067049771 /nfs/dbraw/zinc/04/97/71/1067049771.db2.gz SFKLOQCOFJDWCK-XFFZJAGNSA-N 0 0 453.655 4.584 20 0 JJADRN C[C@@H](C(=O)Nc1nc(-c2ccc(I)cc2)cs1)c1cccc(O)c1 ZINC001545764886 1067049927 /nfs/dbraw/zinc/04/99/27/1067049927.db2.gz GQDWARGYNKLYSJ-LLVKDONJSA-N 0 0 450.301 4.863 20 0 JJADRN CCOC(=O)c1oc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)nc1C(F)(F)F ZINC001458393847 1067049942 /nfs/dbraw/zinc/04/99/42/1067049942.db2.gz OCXDEEJZSCALHH-GWCFXTLKSA-N 0 0 452.351 4.855 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1C[C@@H]1NC(=O)CC1(C)C)c1ccccc1 ZINC001545765537 1067050039 /nfs/dbraw/zinc/05/00/39/1067050039.db2.gz CKIWXBUGLVCGLQ-RTWAWAEBSA-N 0 0 469.699 4.847 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545765646 1067050057 /nfs/dbraw/zinc/05/00/57/1067050057.db2.gz FLGOTEYQYUBZMS-NLWGTHIKSA-N 0 0 467.605 4.646 20 0 JJADRN COc1cc(CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)ccc1Cl ZINC001450113040 1067050557 /nfs/dbraw/zinc/05/05/57/1067050557.db2.gz JXNSWEMRJUNMNJ-IBGZPJMESA-N 0 0 453.366 4.927 20 0 JJADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC001458396217 1067050653 /nfs/dbraw/zinc/05/06/53/1067050653.db2.gz RWXCIVGQSOJJRS-RBUKOAKNSA-N 0 0 455.551 4.692 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CCOC)CC1)c1ccccc1 ZINC001545765989 1067050716 /nfs/dbraw/zinc/05/07/16/1067050716.db2.gz LDHKEMACIUFWID-FGZHOGPDSA-N 0 0 483.657 4.740 20 0 JJADRN C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001458395905 1067050702 /nfs/dbraw/zinc/05/07/02/1067050702.db2.gz RBLTYOKLAVFESE-VOBQZIQPSA-N 0 0 457.489 4.801 20 0 JJADRN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001458397116 1067051136 /nfs/dbraw/zinc/05/11/36/1067051136.db2.gz MOXXUSTUVPPTGZ-UHFFFAOYSA-N 0 0 454.246 4.729 20 0 JJADRN CC[C@@H](c1nnc(N2CCS[C@@H](C)C2)n1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC001545766059 1067051334 /nfs/dbraw/zinc/05/13/34/1067051334.db2.gz MJEVAGITZCVYBO-DOTOQJQBSA-N 0 0 460.541 4.679 20 0 JJADRN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC001458398256 1067051577 /nfs/dbraw/zinc/05/15/77/1067051577.db2.gz OOCBMLYOMWVCJF-IBGZPJMESA-N 0 0 454.445 4.683 20 0 JJADRN CC[C@H](c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC(C)C)c1ccccc1 ZINC001545766178 1067051655 /nfs/dbraw/zinc/05/16/55/1067051655.db2.gz NQMIAVPCIUPDNO-QFIPXVFZSA-N 0 0 458.672 4.804 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545766267 1067051697 /nfs/dbraw/zinc/05/16/97/1067051697.db2.gz PEIXOFFEJYFEKB-QFBILLFUSA-N 0 0 459.566 4.806 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c(C)n1 ZINC001450137292 1067052286 /nfs/dbraw/zinc/05/22/86/1067052286.db2.gz GKPJYOADNHRJOK-DJJJIMSYSA-N 0 0 453.530 4.755 20 0 JJADRN CSc1nc(C)c(CCC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C)n1 ZINC001450137306 1067052405 /nfs/dbraw/zinc/05/24/05/1067052405.db2.gz GKPJYOADNHRJOK-YJYMSZOUSA-N 0 0 453.530 4.755 20 0 JJADRN CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398821 1067052391 /nfs/dbraw/zinc/05/23/91/1067052391.db2.gz ZBVYLCSKEMBHRJ-WIYYLYMNSA-N 0 0 458.480 4.876 20 0 JJADRN CCc1nc2ccccc2n1C1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC001458400703 1067052854 /nfs/dbraw/zinc/05/28/54/1067052854.db2.gz YKYRVNIZJOMJCM-UHFFFAOYSA-N 0 0 458.404 4.790 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)Cc2cccs2)CCO1 ZINC001546100288 1067053140 /nfs/dbraw/zinc/05/31/40/1067053140.db2.gz WJDQRJTXWMQRNL-NBGIEHNGSA-N 0 0 454.640 4.845 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCC(C)C)c1ccccc1 ZINC001545767928 1067053098 /nfs/dbraw/zinc/05/30/98/1067053098.db2.gz JPAUXAKGPOBGCP-UZINWLIJSA-N 0 0 453.631 4.970 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCN1CCOCC1(C)C)c1ccccc1 ZINC001545768005 1067053175 /nfs/dbraw/zinc/05/31/75/1067053175.db2.gz KWBASBPRTHUAFD-VWPQPMDRSA-N 0 0 475.628 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNc3ccc(S(=O)(=O)C(F)F)cc3)ccc21 ZINC001458402422 1067053172 /nfs/dbraw/zinc/05/31/72/1067053172.db2.gz QZSUMERIGOOOBR-UHFFFAOYSA-N 0 0 452.523 4.983 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545768072 1067053641 /nfs/dbraw/zinc/05/36/41/1067053641.db2.gz MGOMVWLLLNRKBJ-GIVPXCGWSA-N 0 0 459.610 4.919 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545768073 1067053656 /nfs/dbraw/zinc/05/36/56/1067053656.db2.gz MGOMVWLLLNRKBJ-NRSPTQNISA-N 0 0 459.610 4.919 20 0 JJADRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001458405798 1067053718 /nfs/dbraw/zinc/05/37/18/1067053718.db2.gz MQPYBOAPVYSRJR-GOSISDBHSA-N 0 0 456.342 4.611 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@](C)(O)c1ccco1)c1ccccc1 ZINC001545768224 1067053701 /nfs/dbraw/zinc/05/37/01/1067053701.db2.gz PRQFHAWSELHOCR-DYVMYPEFSA-N 0 0 462.516 4.955 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001450144064 1067053902 /nfs/dbraw/zinc/05/39/02/1067053902.db2.gz LLMZLAAJTQLASF-HXUWFJFHSA-N 0 0 456.558 4.678 20 0 JJADRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](c3ccccc3OC(F)F)C(F)(F)F)c12 ZINC001458408156 1067053897 /nfs/dbraw/zinc/05/38/97/1067053897.db2.gz UMLLKDWAVWFYRG-QGZVFWFLSA-N 0 0 454.399 4.789 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001458406620 1067053995 /nfs/dbraw/zinc/05/39/95/1067053995.db2.gz QOASUXNJTGFAMK-ZWKOTPCHSA-N 0 0 452.551 4.516 20 0 JJADRN C[C@H]1CN(C(=O)CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145209 1067054023 /nfs/dbraw/zinc/05/40/23/1067054023.db2.gz LDEWACVCNYOXGP-MAUKXSAKSA-N 0 0 456.505 4.689 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCCOC(C)C)c1ccccc1 ZINC001545768332 1067054027 /nfs/dbraw/zinc/05/40/27/1067054027.db2.gz SQSOWFZRBWKODH-TZRRMPRUSA-N 0 0 497.684 4.938 20 0 JJADRN C[C@@H]1CN(C(=O)CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450145208 1067054067 /nfs/dbraw/zinc/05/40/67/1067054067.db2.gz LDEWACVCNYOXGP-CRAIPNDOSA-N 0 0 456.505 4.689 20 0 JJADRN COCCOc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 ZINC001450145536 1067054107 /nfs/dbraw/zinc/05/41/07/1067054107.db2.gz MKLOZGMUYSKVRE-JLTOFOAXSA-N 0 0 457.876 4.986 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3CCCOc4c(F)cccc43)cc2)cc1 ZINC001458406776 1067054139 /nfs/dbraw/zinc/05/41/39/1067054139.db2.gz DGVIGEBBGOSAMK-QHCPKHFHSA-N 0 0 453.535 4.752 20 0 JJADRN CC[C@H](c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCCCCS(C)(=O)=O)c1ccccc1 ZINC001545768299 1067054198 /nfs/dbraw/zinc/05/41/98/1067054198.db2.gz RUWNDRNEVZHCRZ-KJWPAHLWSA-N 0 0 458.672 4.804 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)c2)CCO1 ZINC001546100331 1067054526 /nfs/dbraw/zinc/05/45/26/1067054526.db2.gz XALQBFSMFQQXGH-MHZLTWQESA-N 0 0 480.657 4.526 20 0 JJADRN CCn1c2cc(Br)ccc2nc1NC(=O)c1ccccc1COC1CCOCC1 ZINC001458408978 1067054832 /nfs/dbraw/zinc/05/48/32/1067054832.db2.gz WNJXFWFODMDPED-UHFFFAOYSA-N 0 0 458.356 4.767 20 0 JJADRN C[C@@H]1CN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450154174 1067054958 /nfs/dbraw/zinc/05/49/58/1067054958.db2.gz UDTGCDFVCQBKCY-DNVCBOLYSA-N 0 0 456.505 4.783 20 0 JJADRN CCC(CC)(Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1)SC ZINC001545769432 1067054949 /nfs/dbraw/zinc/05/49/49/1067054949.db2.gz ACAQOYUPUKGXQN-FQEVSTJZSA-N 0 0 473.687 4.930 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1CCC(c2nc(C)no2)CC1)NC(=O)OC(C)(C)C ZINC001545769475 1067055418 /nfs/dbraw/zinc/05/54/18/1067055418.db2.gz BLBBFTODBZUSDL-UHFFFAOYSA-N 0 0 475.638 4.560 20 0 JJADRN CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(Cl)cccc2C1)SC ZINC001545770009 1067055694 /nfs/dbraw/zinc/05/56/94/1067055694.db2.gz RRSGCWMMKICTGV-UHFFFAOYSA-N 0 0 450.052 4.554 20 0 JJADRN Cc1ncc(I)c(Oc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC001458414724 1067056188 /nfs/dbraw/zinc/05/61/88/1067056188.db2.gz NQIILKPWFWSAHZ-UHFFFAOYSA-N 0 0 459.003 4.963 20 0 JJADRN CC(C)C(=O)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)CC1 ZINC001458417840 1067056320 /nfs/dbraw/zinc/05/63/20/1067056320.db2.gz NXBSSJVNGMHBMX-UHFFFAOYSA-N 0 0 457.412 4.873 20 0 JJADRN CCOC(=O)CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C(C)(C)C ZINC001458414728 1067056416 /nfs/dbraw/zinc/05/64/16/1067056416.db2.gz HGHBVGUNGZEBQV-UHFFFAOYSA-N 0 0 452.345 4.815 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC[C@@H]1C)OC ZINC001545770945 1067056658 /nfs/dbraw/zinc/05/66/58/1067056658.db2.gz AITNMYIVNFLGRU-HOTGVXAUSA-N 0 0 452.441 4.876 20 0 JJADRN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001458418746 1067056773 /nfs/dbraw/zinc/05/67/73/1067056773.db2.gz LSKDWEJYIXGORI-JOCHJYFZSA-N 0 0 459.489 4.962 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)OC)NC(=O)OC(C)(C)C ZINC001545770997 1067056713 /nfs/dbraw/zinc/05/67/13/1067056713.db2.gz BXNMTTXWCZOKBB-INIZCTEOSA-N 0 0 465.570 4.638 20 0 JJADRN CCC(CC)(Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H]1CCOC1)OC ZINC001545771038 1067056940 /nfs/dbraw/zinc/05/69/40/1067056940.db2.gz DBAUAEARKGQGEG-IBGZPJMESA-N 0 0 455.628 4.807 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001450170219 1067057423 /nfs/dbraw/zinc/05/74/23/1067057423.db2.gz FUXNWOKYQZLAKD-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)SC ZINC001545771246 1067057436 /nfs/dbraw/zinc/05/74/36/1067057436.db2.gz JQPRLKXYQGCJPN-SJORKVTESA-N 0 0 495.443 4.744 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1Cl ZINC001450172993 1067057508 /nfs/dbraw/zinc/05/75/08/1067057508.db2.gz SLMVMELDVBGSCU-ZDUSSCGKSA-N 0 0 450.894 4.910 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)OC)NC(=O)OC(C)(C)C ZINC001545771111 1067057484 /nfs/dbraw/zinc/05/74/84/1067057484.db2.gz GEFSUVOXUZBCJB-UHFFFAOYSA-N 0 0 468.602 4.883 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1)SC ZINC001545771256 1067057613 /nfs/dbraw/zinc/05/76/13/1067057613.db2.gz JTYVKLCTTOXSGO-LJQANCHMSA-N 0 0 499.660 4.596 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCOCc2ccc(Cl)cc2Cl)c1 ZINC001458424194 1067057516 /nfs/dbraw/zinc/05/75/16/1067057516.db2.gz VOJRBRMCGINODS-UHFFFAOYSA-N 0 0 453.366 4.965 20 0 JJADRN C[C@H]1CC(C)(C)N(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)c2ccccc21 ZINC001458423982 1067057560 /nfs/dbraw/zinc/05/75/60/1067057560.db2.gz SYLDHGVVSBXGQC-HNNXBMFYSA-N 0 0 450.398 4.683 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC001458424105 1067057601 /nfs/dbraw/zinc/05/76/01/1067057601.db2.gz PXOHIPDNNTUFLT-GFCCVEGCSA-N 0 0 451.272 4.973 20 0 JJADRN Cc1cc(N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)nc(-c2ccccn2)n1 ZINC001458427075 1067057990 /nfs/dbraw/zinc/05/79/90/1067057990.db2.gz FCIANQUKSJWUNI-RBBKRZOGSA-N 0 0 463.557 4.873 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)C1CCOCC1 ZINC001458426369 1067058090 /nfs/dbraw/zinc/05/80/90/1067058090.db2.gz YSDCPNWOCMCFEC-QHCPKHFHSA-N 0 0 452.938 4.643 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cccc(C)c3C)ccc2C)cc1 ZINC001450193021 1067058355 /nfs/dbraw/zinc/05/83/55/1067058355.db2.gz KWRXPKOAWPXTPV-UHFFFAOYSA-N 0 0 452.576 4.693 20 0 JJADRN CSCC1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 ZINC001450193597 1067058735 /nfs/dbraw/zinc/05/87/35/1067058735.db2.gz MKBTWOJBTMEBED-UHFFFAOYSA-N 0 0 450.601 4.587 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)SC ZINC001545771664 1067059184 /nfs/dbraw/zinc/05/91/84/1067059184.db2.gz WOGFJNOXBPSZDH-UYAOXDASSA-N 0 0 489.661 4.680 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545771610 1067059198 /nfs/dbraw/zinc/05/91/98/1067059198.db2.gz UVKSVDMLSWLVOH-ROUUACIJSA-N 0 0 494.036 4.554 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CC(F)(F)F)CC1)OC ZINC001545771597 1067059470 /nfs/dbraw/zinc/05/94/70/1067059470.db2.gz UNXMFJKCIDDAFC-UHFFFAOYSA-N 0 0 490.574 4.691 20 0 JJADRN CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)OC ZINC001545771704 1067059641 /nfs/dbraw/zinc/05/96/41/1067059641.db2.gz XOKCVVSQHXSANQ-DENIHFKCSA-N 0 0 498.628 4.509 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC001458436888 1067059804 /nfs/dbraw/zinc/05/98/04/1067059804.db2.gz FKIWNSIJKWKAHD-KPZWWZAWSA-N 0 0 451.311 4.665 20 0 JJADRN Cc1cc(Br)c(F)cc1NC(=O)c1cc(F)ccc1I ZINC001585576658 1067060568 /nfs/dbraw/zinc/06/05/68/1067060568.db2.gz AASHWCSSYKNBBW-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](C)C1)OC ZINC001545772474 1067060630 /nfs/dbraw/zinc/06/06/30/1067060630.db2.gz BLNVOODHVGEBEI-CQSZACIVSA-N 0 0 457.438 4.590 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)OC ZINC001545772427 1067060644 /nfs/dbraw/zinc/06/06/44/1067060644.db2.gz AHEHOXJLIPIZID-IAGOWNOFSA-N 0 0 478.659 4.506 20 0 JJADRN CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C(C)C)C1)Oc1cccc(F)c1 ZINC001546020699 1067060728 /nfs/dbraw/zinc/06/07/28/1067060728.db2.gz NEKFVAQOYYXJCX-HMNCIZAVSA-N 0 0 492.661 4.577 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)OC ZINC001545772644 1067061100 /nfs/dbraw/zinc/06/11/00/1067061100.db2.gz HDYPILQKCHWJQA-CVEARBPZSA-N 0 0 483.476 4.837 20 0 JJADRN CC[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(OC)cc1 ZINC001458440038 1067060975 /nfs/dbraw/zinc/06/09/75/1067060975.db2.gz YNJYCWLUCJVBCF-OAQYLSRUSA-N 0 0 451.972 4.831 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)NCC3(c4ccccc4Cl)CCCCC3)CC(=O)N2C)cc1 ZINC001458442398 1067061283 /nfs/dbraw/zinc/06/12/83/1067061283.db2.gz PAWOCRQUGZTDQJ-RDPSFJRHSA-N 0 0 454.998 4.886 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)CC(C)(C)c2ccc(F)cc2)c1 ZINC001458442768 1067061499 /nfs/dbraw/zinc/06/14/99/1067061499.db2.gz PQABFPAJUCHUEK-UHFFFAOYSA-N 0 0 455.267 4.523 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)ccc1C ZINC001458442807 1067061726 /nfs/dbraw/zinc/06/17/26/1067061726.db2.gz QLEUIEXADFNDDV-QGZVFWFLSA-N 0 0 451.658 4.747 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCc1cnccn1)OC ZINC001545772745 1067061778 /nfs/dbraw/zinc/06/17/78/1067061778.db2.gz LAMIUWXKBKFFDD-UHFFFAOYSA-N 0 0 468.671 4.950 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](COC(C)C)C1)OC ZINC001545772760 1067061836 /nfs/dbraw/zinc/06/18/36/1067061836.db2.gz LFEVWRCJNZYKQL-HXUWFJFHSA-N 0 0 456.587 4.527 20 0 JJADRN O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001450231702 1067062112 /nfs/dbraw/zinc/06/21/12/1067062112.db2.gz YKOYHXPANDHVEF-KRWDZBQOSA-N 0 0 459.315 4.856 20 0 JJADRN COc1cc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 ZINC001450233243 1067062143 /nfs/dbraw/zinc/06/21/43/1067062143.db2.gz BRVORFIVFVLOPU-SANMLTNESA-N 0 0 451.950 4.704 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(OCc3cccnc3)cc2)CC12CCC2 ZINC001450234220 1067062267 /nfs/dbraw/zinc/06/22/67/1067062267.db2.gz GSKNFHGUBIWWHH-NRFANRHFSA-N 0 0 451.567 4.713 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cscn2)CC1)OC ZINC001545772928 1067062570 /nfs/dbraw/zinc/06/25/70/1067062570.db2.gz QYIUUFQAXVRYNH-UHFFFAOYSA-N 0 0 475.062 4.582 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(C)=O)CC1)SC ZINC001545772979 1067062639 /nfs/dbraw/zinc/06/26/39/1067062639.db2.gz SGBKCZCSTROSJP-UHFFFAOYSA-N 0 0 481.613 4.573 20 0 JJADRN COC(=O)c1cc(I)cc(NC(=O)c2cc3cc(C)ccc3s2)c1 ZINC001458445138 1067062607 /nfs/dbraw/zinc/06/26/07/1067062607.db2.gz YUNDRWMQCOSBIO-UHFFFAOYSA-N 0 0 451.285 4.853 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1)OC ZINC001545772899 1067062751 /nfs/dbraw/zinc/06/27/51/1067062751.db2.gz PZOCPLLMYIFQAF-DEOSSOPVSA-N 0 0 490.670 4.510 20 0 JJADRN Cc1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(Br)c1 ZINC001450237294 1067062804 /nfs/dbraw/zinc/06/28/04/1067062804.db2.gz KZZQMWMXONECAH-KRWDZBQOSA-N 0 0 451.405 4.738 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCCc3cc4ccccc4s3)cn2c1 ZINC001450240793 1067063027 /nfs/dbraw/zinc/06/30/27/1067063027.db2.gz VPZIVLGYFXMJNH-UHFFFAOYSA-N 0 0 450.564 4.546 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(OC)C1)OC ZINC001545773060 1067063003 /nfs/dbraw/zinc/06/30/03/1067063003.db2.gz VAQJAWKYRPUJJN-QFIPXVFZSA-N 0 0 452.546 4.757 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(OC)C1)OC ZINC001545773059 1067063019 /nfs/dbraw/zinc/06/30/19/1067063019.db2.gz VAQJAWKYRPUJJN-JOCHJYFZSA-N 0 0 452.546 4.757 20 0 JJADRN COc1cccc(-c2cc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)n(C)n2)c1 ZINC001458446718 1067063035 /nfs/dbraw/zinc/06/30/35/1067063035.db2.gz GCMMCEMIMNGRTH-UHFFFAOYSA-N 0 0 457.321 4.544 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC001450240865 1067063064 /nfs/dbraw/zinc/06/30/64/1067063064.db2.gz RAANAJMOMDHCIN-OAQYLSRUSA-N 0 0 456.999 4.816 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC2(CC2)C1)OC ZINC001545773063 1067063133 /nfs/dbraw/zinc/06/31/33/1067063133.db2.gz VEMXHENQLAETJT-UHFFFAOYSA-N 0 0 481.410 4.669 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC001450245098 1067063250 /nfs/dbraw/zinc/06/32/50/1067063250.db2.gz HDZJGPWUGJIUOD-AVRWGWEMSA-N 0 0 450.604 4.898 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241227 1067063269 /nfs/dbraw/zinc/06/32/69/1067063269.db2.gz QRRLQYQXPFQUII-YADHBBJMSA-N 0 0 459.606 4.619 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC12CCC2 ZINC001450241225 1067063393 /nfs/dbraw/zinc/06/33/93/1067063393.db2.gz QRRLQYQXPFQUII-FGZHOGPDSA-N 0 0 459.606 4.619 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCC2)C1)OC ZINC001545773126 1067063394 /nfs/dbraw/zinc/06/33/94/1067063394.db2.gz XROSOSHMVLJQBU-UHFFFAOYSA-N 0 0 480.451 4.780 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC12CCC2 ZINC001450242527 1067063524 /nfs/dbraw/zinc/06/35/24/1067063524.db2.gz VEVQFSYQWCDWEE-ZDUSSCGKSA-N 0 0 450.992 4.844 20 0 JJADRN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1n[nH]c2ccc(Br)cc21 ZINC001450245509 1067063790 /nfs/dbraw/zinc/06/37/90/1067063790.db2.gz ANQNLMNPBYLSNG-UHFFFAOYSA-N 0 0 450.218 4.782 20 0 JJADRN O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001545773949 1067063916 /nfs/dbraw/zinc/06/39/16/1067063916.db2.gz ZAUFSVBKYSHJDT-UOBPLZBXSA-N 0 0 452.423 4.505 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1)SC ZINC001545773160 1067063986 /nfs/dbraw/zinc/06/39/86/1067063986.db2.gz ZDCZGQFSVMDHTM-UHFFFAOYSA-N 0 0 468.671 4.993 20 0 JJADRN COc1ccc2c(c1)[C@H](NC(=O)c1cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o1)CCC2 ZINC001458447857 1067064036 /nfs/dbraw/zinc/06/40/36/1067064036.db2.gz XLTNFGNRPWJPBD-HXUWFJFHSA-N 0 0 455.555 4.605 20 0 JJADRN COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC ZINC001450250700 1067064356 /nfs/dbraw/zinc/06/43/56/1067064356.db2.gz HCGFPRRTEAMYOS-BCYJJVOOSA-N 0 0 458.599 4.603 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C)SC ZINC001545774086 1067064656 /nfs/dbraw/zinc/06/46/56/1067064656.db2.gz CWZHVTXBSZFYEV-KRWDZBQOSA-N 0 0 462.660 4.888 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)OC ZINC001545774148 1067065150 /nfs/dbraw/zinc/06/51/50/1067065150.db2.gz FPDMQPREEKLALI-MRXNPFEDSA-N 0 0 475.943 4.746 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)OC ZINC001545774147 1067065174 /nfs/dbraw/zinc/06/51/74/1067065174.db2.gz FPDMQPREEKLALI-INIZCTEOSA-N 0 0 475.943 4.746 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1Oc1ccncc1 ZINC001458451321 1067065195 /nfs/dbraw/zinc/06/51/95/1067065195.db2.gz GSWMWMKQDZJEPL-RPWUZVMVSA-N 0 0 451.954 4.637 20 0 JJADRN C[C@H](CC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001450256909 1067065263 /nfs/dbraw/zinc/06/52/63/1067065263.db2.gz JIKGAMITHZRPTI-XFQAVAEZSA-N 0 0 450.542 4.618 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)OC ZINC001545774253 1067065458 /nfs/dbraw/zinc/06/54/58/1067065458.db2.gz JCXXYKBVQQAHDE-QXAKKESOSA-N 0 0 450.986 4.662 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1)OC ZINC001545774212 1067065504 /nfs/dbraw/zinc/06/55/04/1067065504.db2.gz HLHPJEYERREJGV-JXFKEZNVSA-N 0 0 451.011 4.674 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC[C@H]1C)OC ZINC001545774178 1067065515 /nfs/dbraw/zinc/06/55/15/1067065515.db2.gz GEUMRIHHCFBVCL-LJQANCHMSA-N 0 0 454.571 4.547 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001450260991 1067065569 /nfs/dbraw/zinc/06/55/69/1067065569.db2.gz BAPPBWIFOGBFJW-KBPBESRZSA-N 0 0 455.755 4.746 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3ccc(OC(F)F)cc3F)C2)C1 ZINC001450260361 1067065732 /nfs/dbraw/zinc/06/57/32/1067065732.db2.gz SZKJLRQHIBRASU-CVEARBPZSA-N 0 0 456.505 4.926 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)OC ZINC001545774301 1067066002 /nfs/dbraw/zinc/06/60/02/1067066002.db2.gz KMDPUOLXWNCFQH-HXUWFJFHSA-N 0 0 484.576 4.591 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)SC ZINC001545774278 1067066041 /nfs/dbraw/zinc/06/60/41/1067066041.db2.gz JXDGDAFGMVQWJG-OAQYLSRUSA-N 0 0 489.089 4.931 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(cc[nH]c2=O)C1)SC ZINC001545774330 1067066128 /nfs/dbraw/zinc/06/61/28/1067066128.db2.gz LOAHADASCBEAIH-UHFFFAOYSA-N 0 0 459.019 4.579 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450261851 1067065997 /nfs/dbraw/zinc/06/59/97/1067065997.db2.gz WBKMAJYKFNCPOR-JSXRDJHFSA-N 0 0 479.662 4.566 20 0 JJADRN Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450262958 1067066008 /nfs/dbraw/zinc/06/60/08/1067066008.db2.gz YPXGBOWXVAMEGD-MOPGFXCFSA-N 0 0 454.571 4.544 20 0 JJADRN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450263275 1067066090 /nfs/dbraw/zinc/06/60/90/1067066090.db2.gz ZHSBLKXFDVSUAI-RTWAWAEBSA-N 0 0 452.599 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001450261857 1067066249 /nfs/dbraw/zinc/06/62/49/1067066249.db2.gz WBKMAJYKFNCPOR-MXEMCNAFSA-N 0 0 479.662 4.566 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)NC(=O)OC(C)(C)C ZINC001545774356 1067066485 /nfs/dbraw/zinc/06/64/85/1067066485.db2.gz MWVMGQHFQITGMX-GHTZIAJQSA-N 0 0 487.645 4.934 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OC)C1)OC ZINC001545774420 1067066858 /nfs/dbraw/zinc/06/68/58/1067066858.db2.gz OYTVCWLXDKGRLA-GOSISDBHSA-N 0 0 465.436 4.836 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)OC ZINC001545774436 1067066993 /nfs/dbraw/zinc/06/69/93/1067066993.db2.gz PSDXZVCIGYQXKI-HOOSLVGPSA-N 0 0 463.022 4.576 20 0 JJADRN C[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267807 1067067151 /nfs/dbraw/zinc/06/71/51/1067067151.db2.gz GQXCFIQRGKCOTD-AEGPPILISA-N 0 0 455.864 4.636 20 0 JJADRN CN1CCO[C@@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453761 1067067223 /nfs/dbraw/zinc/06/72/23/1067067223.db2.gz MNFZPZNFBWXYFK-RSXGOPAZSA-N 0 0 457.014 4.566 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2=O)CC1)OC ZINC001545774528 1067067278 /nfs/dbraw/zinc/06/72/78/1067067278.db2.gz RTHRMDVCKAKISW-UHFFFAOYSA-N 0 0 474.049 4.785 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)c(C)c2c1 ZINC001450271841 1067067428 /nfs/dbraw/zinc/06/74/28/1067067428.db2.gz GZUNRFFKYRQDMK-CTNGQTDRSA-N 0 0 454.567 4.734 20 0 JJADRN Cc1cc(N(C)C)cc(C)c1CC(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001450271755 1067067515 /nfs/dbraw/zinc/06/75/15/1067067515.db2.gz DMCWXUJEKVCJQQ-HSZRJFAPSA-N 0 0 453.627 4.506 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1)OC ZINC001545774687 1067067961 /nfs/dbraw/zinc/06/79/61/1067067961.db2.gz XXHWKMLFGLGCNX-UHFFFAOYSA-N 0 0 469.674 4.752 20 0 JJADRN O=C(c1oc2ccccc2c1Br)N1CC(=O)Nc2ccc(Br)cc21 ZINC001458457068 1067067943 /nfs/dbraw/zinc/06/79/43/1067067943.db2.gz NTDLHCFKMFZSAR-UHFFFAOYSA-N 0 0 450.086 4.557 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)NC[C@@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)cc1 ZINC001450275461 1067067886 /nfs/dbraw/zinc/06/78/86/1067067886.db2.gz JTJFKNQFCBCGJY-ZDXQCDESSA-N 0 0 452.595 4.783 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC001546021297 1067067937 /nfs/dbraw/zinc/06/79/37/1067067937.db2.gz DJCCUCCEIOZLKC-JWQCQUIFSA-N 0 0 450.623 4.999 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)NC(C)(C)C)OC ZINC001545774693 1067068198 /nfs/dbraw/zinc/06/81/98/1067068198.db2.gz YGWRORRVSHCDSL-UHFFFAOYSA-N 0 0 470.445 4.808 20 0 JJADRN CS(=O)(=O)Cc1ccccc1CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC001545774919 1067068282 /nfs/dbraw/zinc/06/82/82/1067068282.db2.gz GGPFVIGYQVYLNP-UHFFFAOYSA-N 0 0 452.557 4.545 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)SC ZINC001545774723 1067068342 /nfs/dbraw/zinc/06/83/42/1067068342.db2.gz ZANCUGKKUNVERX-QGZVFWFLSA-N 0 0 495.068 4.700 20 0 JJADRN Cc1ccc(S(=O)(=O)n2ccc(C(=O)N(CCc3cccc(F)c3)C3CCCC3)c2)cc1 ZINC001545775135 1067068376 /nfs/dbraw/zinc/06/83/76/1067068376.db2.gz MXCQOVVYZLFQSK-UHFFFAOYSA-N 0 0 454.567 4.800 20 0 JJADRN COCc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001450277585 1067068327 /nfs/dbraw/zinc/06/83/27/1067068327.db2.gz MFXOWDHEWURJNQ-IBGZPJMESA-N 0 0 452.551 4.787 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1O)Cc1ccccc1 ZINC001450277558 1067068359 /nfs/dbraw/zinc/06/83/59/1067068359.db2.gz LZUOFCUDHUHWBY-QGZVFWFLSA-N 0 0 452.473 4.619 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1cc2nccnc2cc1F ZINC001458460442 1067068401 /nfs/dbraw/zinc/06/84/01/1067068401.db2.gz FHVXKOYRSBJOEN-UHFFFAOYSA-N 0 0 459.102 4.647 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N(C)OC)NC(=O)OC(C)(C)C ZINC001545775541 1067068814 /nfs/dbraw/zinc/06/88/14/1067068814.db2.gz BQQFFIMZBCDYLP-UHFFFAOYSA-N 0 0 454.575 4.574 20 0 JJADRN COC(=O)c1csc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1C ZINC001458464144 1067068736 /nfs/dbraw/zinc/06/87/36/1067068736.db2.gz QGOYNPYNAISFBD-UHFFFAOYSA-N 0 0 452.458 4.818 20 0 JJADRN Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001458463413 1067068776 /nfs/dbraw/zinc/06/87/76/1067068776.db2.gz PBFVCBCJNJWYOB-AWEZNQCLSA-N 0 0 450.757 4.545 20 0 JJADRN CCn1c(SCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)nnc1-c1ccco1 ZINC001450280546 1067068857 /nfs/dbraw/zinc/06/88/57/1067068857.db2.gz WLLAAFWNIDTPIM-JTQLQIEISA-N 0 0 459.881 4.595 20 0 JJADRN Cc1oc(Br)cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001450279223 1067068872 /nfs/dbraw/zinc/06/88/72/1067068872.db2.gz OQLSBULCFOGOKF-INIZCTEOSA-N 0 0 451.361 4.559 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)CC[C@H]21 ZINC001450280636 1067068883 /nfs/dbraw/zinc/06/88/83/1067068883.db2.gz PFVUFNSYARBACQ-SUMWQHHRSA-N 0 0 453.461 4.538 20 0 JJADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001450288987 1067069491 /nfs/dbraw/zinc/06/94/91/1067069491.db2.gz ARXJXSNLXFQCQZ-LEWJYISDSA-N 0 0 452.039 4.702 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3c(O)cnc4c(F)cccc43)ccc21 ZINC001450289910 1067069583 /nfs/dbraw/zinc/06/95/83/1067069583.db2.gz ZYKVMCFQHGUGDP-UHFFFAOYSA-N 0 0 451.498 4.697 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001450297972 1067070064 /nfs/dbraw/zinc/07/00/64/1067070064.db2.gz HCGOSCFZWJBJFK-GFCCVEGCSA-N 0 0 450.288 4.961 20 0 JJADRN O=C(Cc1cccc2cnccc21)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001458469067 1067070137 /nfs/dbraw/zinc/07/01/37/1067070137.db2.gz GBULKZGIEFDCDJ-UHFFFAOYSA-N 0 0 453.258 4.754 20 0 JJADRN CCOc1ccc(-c2nc(CC)c(C(=O)N3CCN(c4nc(C)c(C)s4)CC3)s2)cc1 ZINC001458469890 1067070196 /nfs/dbraw/zinc/07/01/96/1067070196.db2.gz ZNCKOZYQCZLRKC-UHFFFAOYSA-N 0 0 456.637 4.807 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC001458470732 1067070412 /nfs/dbraw/zinc/07/04/12/1067070412.db2.gz QLNYMPWFOOPJRZ-UHFFFAOYSA-N 0 0 456.474 4.578 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccc(OC)cc1 ZINC001458470028 1067070476 /nfs/dbraw/zinc/07/04/76/1067070476.db2.gz LYIPGRCOHFQBGX-UWJYYQICSA-N 0 0 456.493 4.838 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)OC ZINC001545776193 1067070747 /nfs/dbraw/zinc/07/07/47/1067070747.db2.gz ZEKDJVFETJJBGB-UHFFFAOYSA-N 0 0 485.032 4.534 20 0 JJADRN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3Cl)[nH]n2)c1C ZINC001450316986 1067070892 /nfs/dbraw/zinc/07/08/92/1067070892.db2.gz WRFMAAZPXYFZQD-ZDUSSCGKSA-N 0 0 459.978 4.504 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)SC ZINC001545777467 1067071175 /nfs/dbraw/zinc/07/11/75/1067071175.db2.gz BDYWGPCJUWILSQ-UHFFFAOYSA-N 0 0 469.581 4.594 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1)SC ZINC001545777438 1067071227 /nfs/dbraw/zinc/07/12/27/1067071227.db2.gz AEWIZHIPKDFFPL-UHFFFAOYSA-N 0 0 481.666 4.884 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)=O)CC1)SC ZINC001545777476 1067071274 /nfs/dbraw/zinc/07/12/74/1067071274.db2.gz BOATVDOBZNACOO-UHFFFAOYSA-N 0 0 450.052 4.625 20 0 JJADRN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)OC ZINC001545777591 1067071505 /nfs/dbraw/zinc/07/15/05/1067071505.db2.gz GUUQCUGUKPBONZ-OAQYLSRUSA-N 0 0 489.567 4.668 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2OC)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)OC ZINC001545777562 1067071710 /nfs/dbraw/zinc/07/17/10/1067071710.db2.gz FWJKBBCDUDISNG-UHFFFAOYSA-N 0 0 482.610 4.506 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1)SC ZINC001545777718 1067071973 /nfs/dbraw/zinc/07/19/73/1067071973.db2.gz KHHXYUJERWIQMW-UHFFFAOYSA-N 0 0 472.634 4.625 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001545777690 1067072096 /nfs/dbraw/zinc/07/20/96/1067072096.db2.gz JXXWHAFABJMTGP-NRFANRHFSA-N 0 0 498.672 4.677 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001450347873 1067072262 /nfs/dbraw/zinc/07/22/62/1067072262.db2.gz FJDQXVGROUUMCG-UHFFFAOYSA-N 0 0 455.331 4.926 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCc2ccc(Br)cc2C1)OC ZINC001545777754 1067072584 /nfs/dbraw/zinc/07/25/84/1067072584.db2.gz LOMDNWHRZAJHQW-UHFFFAOYSA-N 0 0 470.415 4.871 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC001458480538 1067072720 /nfs/dbraw/zinc/07/27/20/1067072720.db2.gz RLMMSKMQKAFTFI-NYHFZMIOSA-N 0 0 456.464 4.670 20 0 JJADRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001450348817 1067072842 /nfs/dbraw/zinc/07/28/42/1067072842.db2.gz HOQBZDPRIOLKFY-UHFFFAOYSA-N 0 0 453.468 4.748 20 0 JJADRN CN(CCc1cccc(Br)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 ZINC001450348977 1067072868 /nfs/dbraw/zinc/07/28/68/1067072868.db2.gz RXJZFWZWDSHXCL-SFHVURJKSA-N 0 0 451.405 4.630 20 0 JJADRN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)cc2)no1 ZINC001450351822 1067072881 /nfs/dbraw/zinc/07/28/81/1067072881.db2.gz XOCKSHIJQBMZJD-HNNXBMFYSA-N 0 0 456.123 4.874 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1)SC ZINC001545777976 1067072938 /nfs/dbraw/zinc/07/29/38/1067072938.db2.gz SIXSLFYRQQSGHM-QGZVFWFLSA-N 0 0 460.051 4.953 20 0 JJADRN FC(F)(F)c1ncnc(N2CCN(c3cc(Cl)ccc3Cl)CC2)c1Br ZINC001458483677 1067073184 /nfs/dbraw/zinc/07/31/84/1067073184.db2.gz SBPUQTUXNIDOJU-UHFFFAOYSA-N 0 0 456.093 4.891 20 0 JJADRN CN(Cc1cc(Br)cn1C)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC001545778441 1067073224 /nfs/dbraw/zinc/07/32/24/1067073224.db2.gz HBXNFFIKMKOAOB-UHFFFAOYSA-N 0 0 451.368 4.718 20 0 JJADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545778165 1067073375 /nfs/dbraw/zinc/07/33/75/1067073375.db2.gz ZGAQBIINPCRQMZ-VQTJNVASSA-N 0 0 486.661 4.675 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)SC ZINC001545779190 1067073578 /nfs/dbraw/zinc/07/35/78/1067073578.db2.gz GBBOBOZIIDPVCO-JOCHJYFZSA-N 0 0 467.639 4.848 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545779336 1067074006 /nfs/dbraw/zinc/07/40/06/1067074006.db2.gz LFEXBKAHMALESN-QGZVFWFLSA-N 0 0 499.582 4.541 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(COc3ccc(C)cc3)n2CCCOC2CCCCC2)CCO1 ZINC001546101398 1067074604 /nfs/dbraw/zinc/07/46/04/1067074604.db2.gz CGKZLQBFJQFLAN-SANMLTNESA-N 0 0 456.631 4.910 20 0 JJADRN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC001458497556 1067074936 /nfs/dbraw/zinc/07/49/36/1067074936.db2.gz BFNJMCYZWPAVLW-UHFFFAOYSA-N 0 0 452.432 4.741 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001450385408 1067075138 /nfs/dbraw/zinc/07/51/38/1067075138.db2.gz JDVINTGWPMGJST-SQFISAMPSA-N 0 0 453.377 4.695 20 0 JJADRN Cc1cc(C)n(-c2ccccc2CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)n1 ZINC001545780137 1067075333 /nfs/dbraw/zinc/07/53/33/1067075333.db2.gz MJAMEZJVBBDHSA-UHFFFAOYSA-N 0 0 454.615 4.971 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1 ZINC001458498568 1067075376 /nfs/dbraw/zinc/07/53/76/1067075376.db2.gz FSWSKNDPCNJASJ-LBPRGKRZSA-N 0 0 459.793 4.573 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1OC(F)F ZINC001458498353 1067075461 /nfs/dbraw/zinc/07/54/61/1067075461.db2.gz IIXGHYWSQNSMAC-ZFWWWQNUSA-N 0 0 454.876 4.810 20 0 JJADRN C[C@@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001450394074 1067075367 /nfs/dbraw/zinc/07/53/67/1067075367.db2.gz AGGVVAUPULSNTK-VKJFTORMSA-N 0 0 458.521 4.933 20 0 JJADRN C[C@@H](C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Br)s1 ZINC001450387504 1067075535 /nfs/dbraw/zinc/07/55/35/1067075535.db2.gz QTXLTXVLFHEAOJ-CQSZACIVSA-N 0 0 457.434 4.864 20 0 JJADRN COc1ccccc1[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccn1 ZINC001458500786 1067075824 /nfs/dbraw/zinc/07/58/24/1067075824.db2.gz OCQAFFYTFSXXKM-QHCPKHFHSA-N 0 0 455.352 4.918 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)SC ZINC001545780668 1067075874 /nfs/dbraw/zinc/07/58/74/1067075874.db2.gz DCHGZKWUBIIVAV-UHFFFAOYSA-N 0 0 491.587 4.942 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001545780676 1067075902 /nfs/dbraw/zinc/07/59/02/1067075902.db2.gz DFVUHPPNMORYDN-INIZCTEOSA-N 0 0 497.566 4.597 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1 ZINC001458499979 1067075912 /nfs/dbraw/zinc/07/59/12/1067075912.db2.gz IFDZYDRDQFQWEQ-DVECYGJZSA-N 0 0 452.576 4.663 20 0 JJADRN C[C@H](NC(=O)c1cncc(I)c1)c1ccccc1OCc1ccccc1 ZINC001458501736 1067076270 /nfs/dbraw/zinc/07/62/70/1067076270.db2.gz BCAQGSGRPLNVKN-HNNXBMFYSA-N 0 0 458.299 4.756 20 0 JJADRN CCCn1c2ccccc2n(CCC(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)c1=O ZINC001458502626 1067076324 /nfs/dbraw/zinc/07/63/24/1067076324.db2.gz WVBTUDLGTQGHLL-AWEZNQCLSA-N 0 0 451.901 4.735 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3cn(C)nc3C3CCCCC3)CC2=O)ccc1Br ZINC001450401262 1067076374 /nfs/dbraw/zinc/07/63/74/1067076374.db2.gz KXCWBVVVZBWSPR-MRXNPFEDSA-N 0 0 459.388 4.530 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)SC ZINC001545780836 1067076322 /nfs/dbraw/zinc/07/63/22/1067076322.db2.gz KIHUWXBFYAELHX-DYESRHJHSA-N 0 0 470.618 4.762 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)SC ZINC001545780893 1067076650 /nfs/dbraw/zinc/07/66/50/1067076650.db2.gz MKCKOIICKMRBME-HXUWFJFHSA-N 0 0 493.052 4.971 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)cc1 ZINC001458503693 1067076626 /nfs/dbraw/zinc/07/66/26/1067076626.db2.gz XRFGMPFDWPSJES-AREMUKBSSA-N 0 0 459.571 4.979 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC001458503404 1067076791 /nfs/dbraw/zinc/07/67/91/1067076791.db2.gz QWEDFRJOLMKCKW-LBPRGKRZSA-N 0 0 459.793 4.573 20 0 JJADRN CCC(CC)(Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccs1)SC ZINC001545781087 1067077215 /nfs/dbraw/zinc/07/72/15/1067077215.db2.gz SJGGHUDHHIFGTL-UHFFFAOYSA-N 0 0 492.740 4.858 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2OCc2cccs2)c1 ZINC001458505349 1067077189 /nfs/dbraw/zinc/07/71/89/1067077189.db2.gz XAUJWVSOHPXKAO-KRWDZBQOSA-N 0 0 458.605 4.797 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)c1 ZINC001458505416 1067077649 /nfs/dbraw/zinc/07/76/49/1067077649.db2.gz YZMPHUYUDMEJCT-RTYFKUQISA-N 0 0 454.514 4.965 20 0 JJADRN CCC(CC)(Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC ZINC001545781236 1067077584 /nfs/dbraw/zinc/07/75/84/1067077584.db2.gz XTHBMZPMIMFKNC-IBGZPJMESA-N 0 0 480.657 4.763 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC001450409267 1067078226 /nfs/dbraw/zinc/07/82/26/1067078226.db2.gz LJWWYSLUSMDKCI-QFBILLFUSA-N 0 0 454.970 4.886 20 0 JJADRN Fc1ccc([C@@H]2CCCN(c3ncnc4cc(I)sc43)C2)cc1F ZINC001458507474 1067078225 /nfs/dbraw/zinc/07/82/25/1067078225.db2.gz TZCXNGKYANPSND-LLVKDONJSA-N 0 0 457.287 4.958 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCC[C@@H](OCC2CC2)C1)NC(=O)OC(C)(C)C ZINC001545782599 1067078243 /nfs/dbraw/zinc/07/82/43/1067078243.db2.gz QXZFLPHHBJKJRS-HXUWFJFHSA-N 0 0 461.651 4.634 20 0 JJADRN NC(=O)Nc1cc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)ccc1F ZINC001450413754 1067078357 /nfs/dbraw/zinc/07/83/57/1067078357.db2.gz STJVDVGGYQJUIN-LJQANCHMSA-N 0 0 458.287 4.838 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCc2ccc(F)cc2C1)NC(=O)OC(C)(C)C ZINC001545782926 1067078486 /nfs/dbraw/zinc/07/84/86/1067078486.db2.gz ZOOHRJIKQCJVKR-UHFFFAOYSA-N 0 0 457.594 4.941 20 0 JJADRN OC1(c2cccc(Br)c2)CN(c2nc3c(F)cccc3cc2Br)C1 ZINC001458514242 1067078657 /nfs/dbraw/zinc/07/86/57/1067078657.db2.gz ZVMWHRORUVPKEZ-UHFFFAOYSA-N 0 0 452.121 4.607 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1)OC ZINC001545783700 1067078795 /nfs/dbraw/zinc/07/87/95/1067078795.db2.gz AJKVFUIFKKOZAY-PKTZIBPZSA-N 0 0 456.631 4.563 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C)SC ZINC001545783821 1067079262 /nfs/dbraw/zinc/07/92/62/1067079262.db2.gz CZZVUCHMIJDFIR-RTBURBONSA-N 0 0 481.707 4.540 20 0 JJADRN C[C@@H]1CC[C@@H](OC(=O)c2ccc(Br)c(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC001458516650 1067079469 /nfs/dbraw/zinc/07/94/69/1067079469.db2.gz HYAHGNAHULCQLV-RHSMWYFYSA-N 0 0 452.370 4.620 20 0 JJADRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cnn(-c2ccccc2)c1Br ZINC001458519846 1067079616 /nfs/dbraw/zinc/07/96/16/1067079616.db2.gz BJTAJICYDYBFMR-HXUWFJFHSA-N 0 0 451.299 4.688 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001458519552 1067079645 /nfs/dbraw/zinc/07/96/45/1067079645.db2.gz SHVYOZMTSOJBIA-ZBEGNZNMSA-N 0 0 457.411 4.976 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)OC ZINC001545783920 1067079541 /nfs/dbraw/zinc/07/95/41/1067079541.db2.gz GQBOBZGHAPICDO-TZIWHRDSSA-N 0 0 493.693 4.507 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(O)cc2C1)NC(=O)OC(C)(C)C ZINC001545784075 1067079617 /nfs/dbraw/zinc/07/96/17/1067079617.db2.gz JZGNNURPZQHGFI-FQEVSTJZSA-N 0 0 499.656 4.524 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)SC ZINC001545784064 1067079671 /nfs/dbraw/zinc/07/96/71/1067079671.db2.gz JMZNFTIBYNJPCC-UHFFFAOYSA-N 0 0 457.692 4.591 20 0 JJADRN O=C(Nc1ccc(C2CC(=O)NC(=O)C2)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC001450436761 1067080441 /nfs/dbraw/zinc/08/04/41/1067080441.db2.gz GMUSBTBHBUHZAJ-UHFFFAOYSA-N 0 0 459.449 4.601 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCS[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545784359 1067080470 /nfs/dbraw/zinc/08/04/70/1067080470.db2.gz REUWHGJDPFZKFK-ZWKOTPCHSA-N 0 0 467.680 4.545 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1)SC ZINC001545784210 1067080501 /nfs/dbraw/zinc/08/05/01/1067080501.db2.gz NESWGPVIHPXBNO-OAQYLSRUSA-N 0 0 461.651 4.907 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)OC ZINC001545784493 1067080890 /nfs/dbraw/zinc/08/08/90/1067080890.db2.gz UNONVKJEJPWIDB-GGAORHGYSA-N 0 0 491.076 4.981 20 0 JJADRN C[C@H]1CC(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001458524784 1067080826 /nfs/dbraw/zinc/08/08/26/1067080826.db2.gz FRBBOWBGMOWQKM-HOTGVXAUSA-N 0 0 456.999 4.752 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)OC ZINC001545784532 1067081149 /nfs/dbraw/zinc/08/11/49/1067081149.db2.gz VHVMNCSHDFWWAZ-WOJBJXKFSA-N 0 0 461.676 4.835 20 0 JJADRN CCCCCn1cc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c(C)n1 ZINC001458525792 1067081245 /nfs/dbraw/zinc/08/12/45/1067081245.db2.gz MJLRVBQHLUSOAC-LKAWRWRFSA-N 0 0 457.018 4.746 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CCO1 ZINC001546101727 1067081532 /nfs/dbraw/zinc/08/15/32/1067081532.db2.gz JYPORUOSELYDBN-KIVTUJJHSA-N 0 0 460.594 4.597 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001546022878 1067081671 /nfs/dbraw/zinc/08/16/71/1067081671.db2.gz QAPHWQKPEVDELS-CQSZACIVSA-N 0 0 464.383 4.923 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC001546101728 1067081813 /nfs/dbraw/zinc/08/18/13/1067081813.db2.gz JYPORUOSELYDBN-OPJGWUQDSA-N 0 0 460.594 4.597 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)CC[C@H](C)c1ccccc1 ZINC001458528953 1067081825 /nfs/dbraw/zinc/08/18/25/1067081825.db2.gz SCHFIQVUALXXFR-YWZLYKJASA-N 0 0 457.368 4.715 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001546101730 1067081876 /nfs/dbraw/zinc/08/18/76/1067081876.db2.gz JYPORUOSELYDBN-UWUFEASWSA-N 0 0 460.594 4.597 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)C1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001545785854 1067081907 /nfs/dbraw/zinc/08/19/07/1067081907.db2.gz DPBUUGGOHOFHCJ-GPJFCIFZSA-N 0 0 463.667 4.880 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001546023028 1067081998 /nfs/dbraw/zinc/08/19/98/1067081998.db2.gz UKRQACXHFQDOPX-QGZVFWFLSA-N 0 0 491.011 4.800 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1)OC ZINC001545785920 1067082030 /nfs/dbraw/zinc/08/20/30/1067082030.db2.gz FPEGICOXPMSHQQ-FQEVSTJZSA-N 0 0 469.678 4.530 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccco1)NC(=O)OC(C)(C)C ZINC001545786157 1067082093 /nfs/dbraw/zinc/08/20/93/1067082093.db2.gz JSZKOORGZKDDAN-RTBURBONSA-N 0 0 473.618 4.800 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001546023003 1067082106 /nfs/dbraw/zinc/08/21/06/1067082106.db2.gz SVTLDNFQZNMXAJ-KRWDZBQOSA-N 0 0 490.421 4.730 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc3n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CCC2 ZINC001458531011 1067082159 /nfs/dbraw/zinc/08/21/59/1067082159.db2.gz NOKFAPVFLYEELJ-VGSWGCGISA-N 0 0 452.599 4.953 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(C)CC1)OC ZINC001545786552 1067082333 /nfs/dbraw/zinc/08/23/33/1067082333.db2.gz RKLCOHKCCCOAIB-XVAXZDLZSA-N 0 0 493.693 4.807 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OCC2CC2)CC1 ZINC001546023083 1067082421 /nfs/dbraw/zinc/08/24/21/1067082421.db2.gz VNVMVAKJXXFEIO-UHFFFAOYSA-N 0 0 477.447 4.654 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCC(CO)(c4ccccc4)CC3)c2)n1 ZINC001450460421 1067082447 /nfs/dbraw/zinc/08/24/47/1067082447.db2.gz AKVBENQBCJMUGZ-UHFFFAOYSA-N 0 0 450.970 4.657 20 0 JJADRN CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1c(C)noc1C)SC ZINC001545786661 1067082891 /nfs/dbraw/zinc/08/28/91/1067082891.db2.gz UEZHZKXTUJWZGY-UHFFFAOYSA-N 0 0 498.701 4.615 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC)(CC)C1 ZINC001546023125 1067082992 /nfs/dbraw/zinc/08/29/92/1067082992.db2.gz WYAOAPWPMZUMDC-UHFFFAOYSA-N 0 0 452.441 4.614 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@H]2C(C)C)CCO1 ZINC001546101861 1067083072 /nfs/dbraw/zinc/08/30/72/1067083072.db2.gz NFKXRSRZJNSLMO-HFRGRHLUSA-N 0 0 474.671 4.645 20 0 JJADRN Cn1cc(-c2ccccc2CNC(=O)c2csc(-c3cc(Br)cs3)n2)cn1 ZINC001458533005 1067083138 /nfs/dbraw/zinc/08/31/38/1067083138.db2.gz RZEKTWVCAGTVLJ-UHFFFAOYSA-N 0 0 459.394 4.965 20 0 JJADRN C[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC001450467841 1067083189 /nfs/dbraw/zinc/08/31/89/1067083189.db2.gz GFWRGWNTDPFQQH-XDHUDOTRSA-N 0 0 450.579 4.624 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001450471357 1067083347 /nfs/dbraw/zinc/08/33/47/1067083347.db2.gz PYSHFMMJUXWWNK-UHFFFAOYSA-N 0 0 450.894 4.870 20 0 JJADRN COC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c(C)c1 ZINC001450469252 1067083387 /nfs/dbraw/zinc/08/33/87/1067083387.db2.gz JTZKHQLOORPKTP-UHFFFAOYSA-N 0 0 455.511 4.555 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)SC ZINC001545788112 1067083532 /nfs/dbraw/zinc/08/35/32/1067083532.db2.gz JAHLBPOZAJFNEX-UHFFFAOYSA-N 0 0 453.697 4.703 20 0 JJADRN CC(C)(C)c1nc(CC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cs1 ZINC001450472655 1067083736 /nfs/dbraw/zinc/08/37/36/1067083736.db2.gz MCKBLKUJQFLSBS-RTWAWAEBSA-N 0 0 455.624 4.537 20 0 JJADRN O=C(CCCc1cc(F)ccc1F)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450471691 1067083779 /nfs/dbraw/zinc/08/37/79/1067083779.db2.gz MBMAWBLVOWVMTA-UPVQGACJSA-N 0 0 456.533 4.841 20 0 JJADRN C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([S@](C)=O)cc1 ZINC001458536113 1067083843 /nfs/dbraw/zinc/08/38/43/1067083843.db2.gz HFOSBCHSHQSEAC-BQRYGKNWSA-N 0 0 450.645 4.713 20 0 JJADRN C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([S@@](C)=O)cc1 ZINC001458536117 1067083939 /nfs/dbraw/zinc/08/39/39/1067083939.db2.gz HFOSBCHSHQSEAC-WVSGJHDHSA-N 0 0 450.645 4.713 20 0 JJADRN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)nc1 ZINC001458536996 1067084053 /nfs/dbraw/zinc/08/40/53/1067084053.db2.gz WSVDHVGZPHMJPI-UHFFFAOYSA-N 0 0 454.269 4.644 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545788291 1067084002 /nfs/dbraw/zinc/08/40/02/1067084002.db2.gz OZOBCNHHCAUYBY-WOJBJXKFSA-N 0 0 477.694 4.813 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)OC ZINC001545788252 1067084019 /nfs/dbraw/zinc/08/40/19/1067084019.db2.gz OFDSVDOJAUROOM-UHFFFAOYSA-N 0 0 485.648 4.585 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1)SC ZINC001545788266 1067084238 /nfs/dbraw/zinc/08/42/38/1067084238.db2.gz OJVHRRUHNAZKJK-UHFFFAOYSA-N 0 0 457.688 4.751 20 0 JJADRN CC(C)(C)c1ccc(CNc2nc(C(F)(F)F)ccc2I)c(=O)[nH]1 ZINC001458538075 1067084444 /nfs/dbraw/zinc/08/44/44/1067084444.db2.gz ZHDFMPFONJIHAI-UHFFFAOYSA-N 0 0 451.230 4.715 20 0 JJADRN O=c1c(Cl)c(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001458539422 1067084821 /nfs/dbraw/zinc/08/48/21/1067084821.db2.gz BZQKWUBFNGKRCA-KDOFPFPSSA-N 0 0 472.801 4.520 20 0 JJADRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc(Cl)c(S(C)(=O)=O)c4)cc3)ccc2O1 ZINC001458539169 1067084846 /nfs/dbraw/zinc/08/48/46/1067084846.db2.gz ADDLJAFQQORTHY-OAHLLOKOSA-N 0 0 455.963 4.664 20 0 JJADRN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001450487278 1067085136 /nfs/dbraw/zinc/08/51/36/1067085136.db2.gz GOQSCMIFYCNZFC-SANMLTNESA-N 0 0 459.565 4.901 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001450487273 1067085268 /nfs/dbraw/zinc/08/52/68/1067085268.db2.gz GOQSCMIFYCNZFC-AREMUKBSSA-N 0 0 459.565 4.901 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)OC ZINC001545788621 1067085272 /nfs/dbraw/zinc/08/52/72/1067085272.db2.gz ZZQLPNBFQQMGSO-UHFFFAOYSA-N 0 0 495.693 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC001450513849 1067085603 /nfs/dbraw/zinc/08/56/03/1067085603.db2.gz OXJVUAFTMBBXTE-QGZVFWFLSA-N 0 0 450.542 4.762 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)SC ZINC001545789426 1067085627 /nfs/dbraw/zinc/08/56/27/1067085627.db2.gz HETTUPULJNOLLO-AREMUKBSSA-N 0 0 465.667 4.592 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)OC ZINC001545789505 1067085800 /nfs/dbraw/zinc/08/58/00/1067085800.db2.gz JTIYTHQBRBDTMD-UHFFFAOYSA-N 0 0 479.469 4.790 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)OC ZINC001545789291 1067085890 /nfs/dbraw/zinc/08/58/90/1067085890.db2.gz BJPBRDQVDTXYSB-QFIPXVFZSA-N 0 0 488.007 4.840 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(COc2ccccc2F)on1 ZINC001458549518 1067085960 /nfs/dbraw/zinc/08/59/60/1067085960.db2.gz WNULNRAAYQBTCR-QGZVFWFLSA-N 0 0 453.514 4.889 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1)c1ccc(F)cc1 ZINC001450524390 1067086152 /nfs/dbraw/zinc/08/61/52/1067086152.db2.gz GJVRSRUULGLUCP-UHFFFAOYSA-N 0 0 453.901 4.810 20 0 JJADRN CC(C)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)CC2)cc1 ZINC001450527324 1067086220 /nfs/dbraw/zinc/08/62/20/1067086220.db2.gz WDTPGKNUIBNSJV-UHFFFAOYSA-N 0 0 453.583 4.821 20 0 JJADRN CC(C)(C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1Br ZINC001458549195 1067086233 /nfs/dbraw/zinc/08/62/33/1067086233.db2.gz LUYRTMGQBCSXPP-UHFFFAOYSA-N 0 0 450.276 4.659 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C1)CCCOC2)SC ZINC001545789526 1067086252 /nfs/dbraw/zinc/08/62/52/1067086252.db2.gz KHVNVFRTYDTSHY-DEOSSOPVSA-N 0 0 458.672 4.806 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)SC ZINC001545789556 1067086281 /nfs/dbraw/zinc/08/62/81/1067086281.db2.gz LKFQMOBKFYUVSF-UHFFFAOYSA-N 0 0 483.667 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCC(Oc4cncc(Cl)c4)CC3)ccc21 ZINC001450524398 1067086328 /nfs/dbraw/zinc/08/63/28/1067086328.db2.gz GLEXVXPGDMPRSW-UHFFFAOYSA-N 0 0 457.958 4.716 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC001458549947 1067086603 /nfs/dbraw/zinc/08/66/03/1067086603.db2.gz XXSVUXICQWDEHP-UHFFFAOYSA-N 0 0 453.391 4.646 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545789677 1067086749 /nfs/dbraw/zinc/08/67/49/1067086749.db2.gz PDYCDDNSMGSZDO-UXHICEINSA-N 0 0 470.662 4.830 20 0 JJADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(C3CCC3)cn2)cc1 ZINC001450531913 1067086690 /nfs/dbraw/zinc/08/66/90/1067086690.db2.gz IVNXWLFLQDEJHS-UHFFFAOYSA-N 0 0 453.589 4.661 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1cc(Br)ccc1F)c1ccccc1 ZINC001450530822 1067086767 /nfs/dbraw/zinc/08/67/67/1067086767.db2.gz DFGQAVCEFNISAY-NRFANRHFSA-N 0 0 451.336 4.645 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)OC ZINC001545789895 1067087094 /nfs/dbraw/zinc/08/70/94/1067087094.db2.gz XLWXRMUTALEMQG-XMMPIXPASA-N 0 0 462.642 4.574 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC001450534278 1067087218 /nfs/dbraw/zinc/08/72/18/1067087218.db2.gz NRFABRDLWJHYPU-UHFFFAOYSA-N 0 0 453.873 4.929 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)OC ZINC001545790884 1067087361 /nfs/dbraw/zinc/08/73/61/1067087361.db2.gz ACAKZXYZVOUCFZ-OAQYLSRUSA-N 0 0 456.660 4.790 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1)OC ZINC001545790901 1067087394 /nfs/dbraw/zinc/08/73/94/1067087394.db2.gz AQMACDGAVOLBFT-HXUWFJFHSA-N 0 0 450.986 4.806 20 0 JJADRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001545790758 1067087439 /nfs/dbraw/zinc/08/74/39/1067087439.db2.gz WRRVUAGGMFTPFE-AWEZNQCLSA-N 0 0 455.308 4.686 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2CCOCC2)CCO1 ZINC001546102093 1067087546 /nfs/dbraw/zinc/08/75/46/1067087546.db2.gz QSIMCKRIBVICAL-HSZRJFAPSA-N 0 0 483.440 4.986 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC001450538752 1067087813 /nfs/dbraw/zinc/08/78/13/1067087813.db2.gz ZETQBLUDSFHWKD-MQMHXKEQSA-N 0 0 452.374 4.929 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)SC ZINC001545791094 1067088001 /nfs/dbraw/zinc/08/80/01/1067088001.db2.gz HLDPLMSQYCJNMD-CZUORRHYSA-N 0 0 477.622 4.712 20 0 JJADRN C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(N2CCCCC2=O)cc1 ZINC001450542327 1067088396 /nfs/dbraw/zinc/08/83/96/1067088396.db2.gz OCYMSCRMZRRYJE-XOBRGWDASA-N 0 0 457.983 4.537 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccc2ccccc2c1 ZINC001458567583 1067088587 /nfs/dbraw/zinc/08/85/87/1067088587.db2.gz IRQBFFMHWAJQFI-JOCHJYFZSA-N 0 0 458.518 4.886 20 0 JJADRN Cc1oc(-c2ccccc2)nc1CC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001458567400 1067088598 /nfs/dbraw/zinc/08/85/98/1067088598.db2.gz HIDUMVSGAHDGGH-UHFFFAOYSA-N 0 0 453.848 4.845 20 0 JJADRN CCC(CC)(Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C ZINC001545791370 1067088813 /nfs/dbraw/zinc/08/88/13/1067088813.db2.gz QAHKPWWUYSOWOB-UHFFFAOYSA-N 0 0 496.700 4.949 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3Cc4ccccc4O[C@H](C)C3)ccc2C)cc1 ZINC001450544953 1067088839 /nfs/dbraw/zinc/08/88/39/1067088839.db2.gz BXPSVWQDPKFZTH-LJQANCHMSA-N 0 0 450.560 4.528 20 0 JJADRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001458569664 1067089366 /nfs/dbraw/zinc/08/93/66/1067089366.db2.gz ZNXHAUJKIWYZII-RYUDHWBXSA-N 0 0 452.782 4.860 20 0 JJADRN CCOC(=O)CN(C(=O)COc1ccc(Br)cc1Cl)[C@@H](C)c1ccccc1 ZINC001458570135 1067089411 /nfs/dbraw/zinc/08/94/11/1067089411.db2.gz UDSQMZKKCVAXHQ-AWEZNQCLSA-N 0 0 454.748 4.634 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)CCC2CCCC2)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001450546720 1067089435 /nfs/dbraw/zinc/08/94/35/1067089435.db2.gz WPYSMDGGBZKOCI-GOSISDBHSA-N 0 0 453.558 4.650 20 0 JJADRN C[C@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1nccn1-c1ccccc1 ZINC001450547805 1067089450 /nfs/dbraw/zinc/08/94/50/1067089450.db2.gz NYUSKVDYRYGSEJ-INIZCTEOSA-N 0 0 452.580 4.718 20 0 JJADRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458569660 1067089521 /nfs/dbraw/zinc/08/95/21/1067089521.db2.gz ZNXHAUJKIWYZII-NEPJUHHUSA-N 0 0 452.782 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cnc(-c3ccccc3)s2)C[C@H]1[C@@H]1CCCO1 ZINC001545792324 1067089623 /nfs/dbraw/zinc/08/96/23/1067089623.db2.gz WODJAOINOHERCP-FHWLQOOXSA-N 0 0 457.596 4.943 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001545792152 1067089706 /nfs/dbraw/zinc/08/97/06/1067089706.db2.gz RAZHKMOYXANTRP-QHCPKHFHSA-N 0 0 456.558 4.908 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)CCC2CCCC2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC001450546736 1067089793 /nfs/dbraw/zinc/08/97/93/1067089793.db2.gz WPYSMDGGBZKOCI-SFHVURJKSA-N 0 0 453.558 4.650 20 0 JJADRN CSc1ncc(I)c(N[C@@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC001458574472 1067089926 /nfs/dbraw/zinc/08/99/26/1067089926.db2.gz PJVFCFBPNICTEP-QMMMGPOBSA-N 0 0 455.243 4.875 20 0 JJADRN Cc1cc(NC(=O)Cc2nc(-c3ccccc3)cs2)c(C(=O)NCC(F)(F)F)cc1F ZINC001450550479 1067089921 /nfs/dbraw/zinc/08/99/21/1067089921.db2.gz YZFVIUNEYUTHAH-UHFFFAOYSA-N 0 0 451.445 4.731 20 0 JJADRN CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001458572079 1067090014 /nfs/dbraw/zinc/09/00/14/1067090014.db2.gz QXLVSAWIDDYKLV-UHFFFAOYSA-N 0 0 450.520 4.606 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)C[C@H]1C)SC ZINC001545792581 1067090606 /nfs/dbraw/zinc/09/06/06/1067090606.db2.gz FWSXSJDGZGCPND-HXUWFJFHSA-N 0 0 487.714 4.878 20 0 JJADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1Cc2ccc(Br)cc2C1)SC ZINC001545792717 1067090725 /nfs/dbraw/zinc/09/07/25/1067090725.db2.gz JUKAUFXXPPRTND-UHFFFAOYSA-N 0 0 492.487 4.605 20 0 JJADRN C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1nccn1-c1ccccc1 ZINC001450553988 1067091053 /nfs/dbraw/zinc/09/10/53/1067091053.db2.gz YWSHYZOVRURBPR-QRWLVFNGSA-N 0 0 456.493 4.594 20 0 JJADRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001450554010 1067091099 /nfs/dbraw/zinc/09/10/99/1067091099.db2.gz ZIBGGQOXGWYKSH-CYBMUJFWSA-N 0 0 454.543 4.978 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC001450562880 1067091617 /nfs/dbraw/zinc/09/16/17/1067091617.db2.gz WXIFWJJKPQXEDG-UHFFFAOYSA-N 0 0 451.271 4.552 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1nccs1 ZINC001546024320 1067091780 /nfs/dbraw/zinc/09/17/80/1067091780.db2.gz AMVLSHGLASSUHE-UHFFFAOYSA-N 0 0 482.423 4.533 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Br)o1)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001546024291 1067092003 /nfs/dbraw/zinc/09/20/03/1067092003.db2.gz ZXYWZGFSIOEFNS-QFIPXVFZSA-N 0 0 455.352 4.667 20 0 JJADRN CON(Cc1ccccc1Cl)C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001450588187 1067092215 /nfs/dbraw/zinc/09/22/15/1067092215.db2.gz IOTSCOWUTDSZLA-NRFANRHFSA-N 0 0 457.958 4.847 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001546024375 1067092347 /nfs/dbraw/zinc/09/23/47/1067092347.db2.gz CHZNDSQGDVMVJM-NRFANRHFSA-N 0 0 454.571 4.586 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)SC ZINC001545794373 1067092672 /nfs/dbraw/zinc/09/26/72/1067092672.db2.gz BFRHOZPXKUBMCN-YADARESESA-N 0 0 492.661 4.692 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458599079 1067092705 /nfs/dbraw/zinc/09/27/05/1067092705.db2.gz DXEVBBUXIJDEFC-FQEVSTJZSA-N 0 0 457.317 4.582 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC001450589453 1067092721 /nfs/dbraw/zinc/09/27/21/1067092721.db2.gz MLLGDTGSRQBEGB-OAQYLSRUSA-N 0 0 452.473 4.830 20 0 JJADRN CC(C)COc1cccc(OCC(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC001458601407 1067092860 /nfs/dbraw/zinc/09/28/60/1067092860.db2.gz IIOWWIBCZYRRLC-UHFFFAOYSA-N 0 0 450.322 4.731 20 0 JJADRN O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001458599982 1067093023 /nfs/dbraw/zinc/09/30/23/1067093023.db2.gz GGVXQTPVARGJMM-UHFFFAOYSA-N 0 0 453.713 4.768 20 0 JJADRN COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc(OC)c1OC(F)F ZINC001458605851 1067093245 /nfs/dbraw/zinc/09/32/45/1067093245.db2.gz KGLFUIANIXIDLW-UHFFFAOYSA-N 0 0 450.825 4.770 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)OC ZINC001545794724 1067093342 /nfs/dbraw/zinc/09/33/42/1067093342.db2.gz MSKLPIWCBCFJJJ-OAQYLSRUSA-N 0 0 462.610 4.985 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)SC ZINC001545794739 1067093389 /nfs/dbraw/zinc/09/33/89/1067093389.db2.gz NCTGFHAITUSXIN-QGZVFWFLSA-N 0 0 453.697 4.991 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)nn1-c1ccccc1 ZINC001450599884 1067093715 /nfs/dbraw/zinc/09/37/15/1067093715.db2.gz FESXJYGKSBMLKU-XMSQKQJNSA-N 0 0 454.368 4.529 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)OCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001458610021 1067094072 /nfs/dbraw/zinc/09/40/72/1067094072.db2.gz OSFAKKPFGXYLKS-UHFFFAOYSA-N 0 0 458.305 4.516 20 0 JJADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC001458609957 1067094270 /nfs/dbraw/zinc/09/42/70/1067094270.db2.gz OISSICKVKIUSGQ-UHFFFAOYSA-N 0 0 456.667 4.777 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@H]21)SC ZINC001545794920 1067094209 /nfs/dbraw/zinc/09/42/09/1067094209.db2.gz RUFUBNHQSNAETL-AKHDSKFASA-N 0 0 463.692 4.959 20 0 JJADRN CC(=O)Nc1cccc(C(=O)Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1C ZINC001450604271 1067094254 /nfs/dbraw/zinc/09/42/54/1067094254.db2.gz DTBUQYPRSIBKOD-UHFFFAOYSA-N 0 0 458.584 4.777 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C ZINC001458610640 1067094425 /nfs/dbraw/zinc/09/44/25/1067094425.db2.gz UBWQVPPFERGHNE-QFIPXVFZSA-N 0 0 452.938 4.617 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCSC2)C1)OC ZINC001545794978 1067094456 /nfs/dbraw/zinc/09/44/56/1067094456.db2.gz TUPPQRZDVLLTDQ-GLDPYIMESA-N 0 0 493.718 4.587 20 0 JJADRN COC(=O)COc1c(C)cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C ZINC001458610636 1067094532 /nfs/dbraw/zinc/09/45/32/1067094532.db2.gz UBWQVPPFERGHNE-JOCHJYFZSA-N 0 0 452.938 4.617 20 0 JJADRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC001458610915 1067094631 /nfs/dbraw/zinc/09/46/31/1067094631.db2.gz OWGCQZIUUTXOJJ-GDBMZVCRSA-N 0 0 458.274 4.905 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1)OC ZINC001545794989 1067094712 /nfs/dbraw/zinc/09/47/12/1067094712.db2.gz TXGPTOXJZAOCCW-UHFFFAOYSA-N 0 0 456.631 4.686 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1)OC ZINC001545795131 1067094855 /nfs/dbraw/zinc/09/48/55/1067094855.db2.gz YQIXNWUQLMEETE-LJQANCHMSA-N 0 0 462.610 4.985 20 0 JJADRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001458611220 1067095030 /nfs/dbraw/zinc/09/50/30/1067095030.db2.gz VKYIZKFQHIBZEO-AWEZNQCLSA-N 0 0 459.461 4.937 20 0 JJADRN O=C(Cc1ccc(Br)cc1F)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001458611299 1067095044 /nfs/dbraw/zinc/09/50/44/1067095044.db2.gz VZIJVPZOXVTKAL-UHFFFAOYSA-N 0 0 459.102 4.762 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCCCNC(=O)C(C)C)c2nc3ccccc3s2)c1 ZINC001545795181 1067095284 /nfs/dbraw/zinc/09/52/84/1067095284.db2.gz AGHNINUWPBOZNM-XMHGGMMESA-N 0 0 451.592 4.514 20 0 JJADRN CCC(CC)(Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)SC ZINC001545796411 1067095449 /nfs/dbraw/zinc/09/54/49/1067095449.db2.gz FHURNWAFRMJABF-WMZHIEFXSA-N 0 0 470.749 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(Br)c[nH]3)n2)CC1 ZINC001450609352 1067095546 /nfs/dbraw/zinc/09/55/46/1067095546.db2.gz MTYNIXMBSWZQRX-UHFFFAOYSA-N 0 0 455.378 4.601 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)O[C@@H](C)c3nc4cc(C(F)(F)F)ccc4n3C)c2n1 ZINC001458613028 1067095774 /nfs/dbraw/zinc/09/57/74/1067095774.db2.gz GFWWAZCGMSOVPY-JTQLQIEISA-N 0 0 453.371 4.799 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)SC ZINC001545796358 1067095812 /nfs/dbraw/zinc/09/58/12/1067095812.db2.gz CDWGJGIMHWIWTH-PZJWPPBQSA-N 0 0 477.719 4.526 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2C)C1)OC ZINC001545796397 1067095987 /nfs/dbraw/zinc/09/59/87/1067095987.db2.gz DSSOOUMDCQYVDP-GIWBLDEGSA-N 0 0 456.631 4.510 20 0 JJADRN C[C@H](OC(=O)CCCOc1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458614706 1067096042 /nfs/dbraw/zinc/09/60/42/1067096042.db2.gz NFELBPMNZWIPBT-ZDUSSCGKSA-N 0 0 450.413 4.784 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC001458614535 1067096057 /nfs/dbraw/zinc/09/60/57/1067096057.db2.gz PDEYMAWSHNYWKE-NRFANRHFSA-N 0 0 458.986 4.632 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C)OC ZINC001545796430 1067096166 /nfs/dbraw/zinc/09/61/66/1067096166.db2.gz FRRSHYYSRLAAJN-QYZOEREBSA-N 0 0 481.707 4.886 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC001458614449 1067096175 /nfs/dbraw/zinc/09/61/75/1067096175.db2.gz KXMZDZBXOCGQGP-GHMZBOCLSA-N 0 0 478.231 4.755 20 0 JJADRN O=C(O[C@H]1CCOc2cc(F)ccc21)c1cc(Br)nn1-c1ncccc1Cl ZINC001458617011 1067096477 /nfs/dbraw/zinc/09/64/77/1067096477.db2.gz BGZZLITYCXLFIO-AWEZNQCLSA-N 0 0 452.667 4.503 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1)SC ZINC001545796513 1067096449 /nfs/dbraw/zinc/09/64/49/1067096449.db2.gz HSJUHLZJLLVWMB-NJDAHSKKSA-N 0 0 482.735 4.749 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1)OC ZINC001545796583 1067096465 /nfs/dbraw/zinc/09/64/65/1067096465.db2.gz JFXDQJPAWBPWSB-LJQANCHMSA-N 0 0 481.632 4.663 20 0 JJADRN O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450616207 1067096351 /nfs/dbraw/zinc/09/63/51/1067096351.db2.gz YCAGVHJHNNXELX-XJUOHMSHSA-N 0 0 458.396 4.929 20 0 JJADRN O=C(CCc1ccc2ccccc2n1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450616439 1067096507 /nfs/dbraw/zinc/09/65/07/1067096507.db2.gz YQHSGCMDUCDYLT-NTKDMRAZSA-N 0 0 453.380 4.902 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1)OC ZINC001545796770 1067096746 /nfs/dbraw/zinc/09/67/46/1067096746.db2.gz OTVHKTQNDWBCQI-PMACEKPBSA-N 0 0 493.693 4.807 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCN1C(=O)OC(C)(C)C ZINC001458619627 1067096880 /nfs/dbraw/zinc/09/68/80/1067096880.db2.gz DAIRKZSIIOFUAO-CRAIPNDOSA-N 0 0 456.414 4.678 20 0 JJADRN O=C(c1ncoc1-c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450624455 1067096791 /nfs/dbraw/zinc/09/67/91/1067096791.db2.gz KFQGXYSSYUBAMT-QGZVFWFLSA-N 0 0 456.823 4.742 20 0 JJADRN O=C(NCCCn1cc(Br)cn1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001450631593 1067097723 /nfs/dbraw/zinc/09/77/23/1067097723.db2.gz BBNBVMDEPSPVGM-UHFFFAOYSA-N 0 0 459.291 4.608 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)C1 ZINC001458622489 1067097696 /nfs/dbraw/zinc/09/76/96/1067097696.db2.gz FYDXYVPWSHVMNZ-CYBMUJFWSA-N 0 0 455.780 4.601 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3oc4ccccc4c3CO)c2)c1 ZINC001450636850 1067098119 /nfs/dbraw/zinc/09/81/19/1067098119.db2.gz LQQZBWZNRCMNQS-UHFFFAOYSA-N 0 0 458.470 4.606 20 0 JJADRN O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001450638829 1067098133 /nfs/dbraw/zinc/09/81/33/1067098133.db2.gz KMNSTHFRMZIKAD-UHFFFAOYSA-N 0 0 450.292 4.820 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001546024642 1067098219 /nfs/dbraw/zinc/09/82/19/1067098219.db2.gz MEOKZQBEGYBLLC-KBPBESRZSA-N 0 0 471.440 4.728 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1)OC ZINC001545798127 1067098318 /nfs/dbraw/zinc/09/83/18/1067098318.db2.gz GJKPEKAYALUPJU-BJKOFHAPSA-N 0 0 467.589 4.898 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1)OC ZINC001545798065 1067098373 /nfs/dbraw/zinc/09/83/73/1067098373.db2.gz FOCMOORCQVYTCU-HSZRJFAPSA-N 0 0 479.625 4.650 20 0 JJADRN O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)N1CC[C@H](c2ccncc2)C1 ZINC001450642501 1067098581 /nfs/dbraw/zinc/09/85/81/1067098581.db2.gz SNZFODZXFIVBOX-LBPRGKRZSA-N 0 0 456.255 4.618 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1)OC ZINC001545798216 1067098811 /nfs/dbraw/zinc/09/88/11/1067098811.db2.gz HMGMPSUJHQYZQN-VWLOTQADSA-N 0 0 462.642 4.816 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001546024666 1067098738 /nfs/dbraw/zinc/09/87/38/1067098738.db2.gz MPFICBXPACDFKC-HUUCEWRRSA-N 0 0 453.400 4.880 20 0 JJADRN CC(C)c1ccnc(N2CCN(C(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)CC2)n1 ZINC001458629977 1067098991 /nfs/dbraw/zinc/09/89/91/1067098991.db2.gz XSNBGSRVVBAWRS-UHFFFAOYSA-N 0 0 452.908 4.653 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)[C@@H]1c1ccccc1OC ZINC001450649508 1067099094 /nfs/dbraw/zinc/09/90/94/1067099094.db2.gz BWXHAQGMSUYSML-KDLAUNOPSA-N 0 0 458.002 4.833 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1)OC ZINC001545798302 1067099059 /nfs/dbraw/zinc/09/90/59/1067099059.db2.gz IZVUZLLTLIIKIS-NHCUHLMSSA-N 0 0 465.436 4.768 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545798309 1067099533 /nfs/dbraw/zinc/09/95/33/1067099533.db2.gz JDMJXZFEVGDOFL-CZAAIQMYSA-N 0 0 484.563 4.951 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1)OC ZINC001545798335 1067099546 /nfs/dbraw/zinc/09/95/46/1067099546.db2.gz JIGDRCRZNWQGMK-PMACEKPBSA-N 0 0 465.436 4.774 20 0 JJADRN Cc1ccc([C@H](CC(F)(F)F)NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC001458648418 1067100093 /nfs/dbraw/zinc/10/00/93/1067100093.db2.gz DVGCUVBQDMEWIO-WBVHZDCISA-N 0 0 455.274 4.993 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC ZINC001545798387 1067099861 /nfs/dbraw/zinc/09/98/61/1067099861.db2.gz KFVXOWDOMFVPHB-FCHUYYIVSA-N 0 0 497.105 4.843 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)OC ZINC001545798388 1067100019 /nfs/dbraw/zinc/10/00/19/1067100019.db2.gz KFVXOWDOMFVPHB-FGZHOGPDSA-N 0 0 497.105 4.843 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)OC ZINC001545798481 1067100654 /nfs/dbraw/zinc/10/06/54/1067100654.db2.gz LRCHLEQQLQFSST-BJKOFHAPSA-N 0 0 487.595 4.981 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)C1)OC ZINC001545798515 1067100710 /nfs/dbraw/zinc/10/07/10/1067100710.db2.gz MDEXGSSGLZVUPW-FQEVSTJZSA-N 0 0 485.629 4.590 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450667684 1067100758 /nfs/dbraw/zinc/10/07/58/1067100758.db2.gz CMLKNJVROPOODM-HXUWFJFHSA-N 0 0 453.391 4.624 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001546024925 1067100766 /nfs/dbraw/zinc/10/07/66/1067100766.db2.gz VNPXNISEQLLWCV-QFBILLFUSA-N 0 0 472.431 4.969 20 0 JJADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450667665 1067100795 /nfs/dbraw/zinc/10/07/95/1067100795.db2.gz 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CC(C)(C)OC(=O)NCC1(CC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC001458718488 1067115647 /nfs/dbraw/zinc/11/56/47/1067115647.db2.gz DDNGFZCRXRVYMO-SFHVURJKSA-N 0 0 455.624 4.727 20 0 JJADRN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450746768 1067115666 /nfs/dbraw/zinc/11/56/66/1067115666.db2.gz REFHUSNNLIJJRI-LJQANCHMSA-N 0 0 451.832 4.842 20 0 JJADRN Cc1csc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1Br ZINC001450748480 1067115677 /nfs/dbraw/zinc/11/56/77/1067115677.db2.gz UVSLOVBKVUDMOE-ZDUSSCGKSA-N 0 0 450.276 4.931 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3nc4c(s3)CCCC4(C)C)cs2)c1 ZINC001450747293 1067115713 /nfs/dbraw/zinc/11/57/13/1067115713.db2.gz ROCGQFJZLQZTPK-UHFFFAOYSA-N 0 0 456.593 4.661 20 0 JJADRN CC(C)OCCCCNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 ZINC001546103004 1067116193 /nfs/dbraw/zinc/11/61/93/1067116193.db2.gz VTBDLMPHCWUECY-UHFFFAOYSA-N 0 0 451.336 4.776 20 0 JJADRN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)c3ccc4ccccc4c3)C2=O)ccc1Br ZINC001458720547 1067116206 /nfs/dbraw/zinc/11/62/06/1067116206.db2.gz IJFGAGUUNXTDTE-KSFYIVLOSA-N 0 0 451.364 4.936 20 0 JJADRN Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)c3ccc4ccccc4c3)C2=O)ccc1Br ZINC001458720553 1067116359 /nfs/dbraw/zinc/11/63/59/1067116359.db2.gz IJFGAGUUNXTDTE-OPAMFIHVSA-N 0 0 451.364 4.936 20 0 JJADRN CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450752191 1067116311 /nfs/dbraw/zinc/11/63/11/1067116311.db2.gz ZGOPMFZOTKVSHT-LJQANCHMSA-N 0 0 450.457 4.784 20 0 JJADRN Cc1cccc2c1OC[C@@H](NC(=O)c1ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n1C)C2 ZINC001450749885 1067116405 /nfs/dbraw/zinc/11/64/05/1067116405.db2.gz UFWPMMSZBSUKFF-FPOVZHCZSA-N 0 0 453.583 4.529 20 0 JJADRN CC[C@H](CNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)OC ZINC001450751366 1067116413 /nfs/dbraw/zinc/11/64/13/1067116413.db2.gz HMYNIKRQADGSKQ-VQTJNVASSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N(C)[C@H]3CC[C@@H](C(F)(F)F)CC3)cs2)c1 ZINC001450762763 1067117467 /nfs/dbraw/zinc/11/74/67/1067117467.db2.gz YCVBEXYTCKXJHR-OTVXOJSOSA-N 0 0 455.502 4.531 20 0 JJADRN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001458722844 1067117557 /nfs/dbraw/zinc/11/75/57/1067117557.db2.gz BNGDRAAETJRQLE-UZLBHIALSA-N 0 0 450.398 4.542 20 0 JJADRN CCOc1ccc2ccccc2c1OC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001458724132 1067118301 /nfs/dbraw/zinc/11/83/01/1067118301.db2.gz QAIYAYSPINZMCB-SFHVURJKSA-N 0 0 453.922 4.725 20 0 JJADRN COc1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(Br)c1 ZINC001458725880 1067118911 /nfs/dbraw/zinc/11/89/11/1067118911.db2.gz HXSSUXJCTXUBPG-UHFFFAOYSA-N 0 0 451.411 4.937 20 0 JJADRN Cc1c(Br)cccc1CC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC001450776074 1067118933 /nfs/dbraw/zinc/11/89/33/1067118933.db2.gz TZTPPGFUFKGTET-UHFFFAOYSA-N 0 0 450.174 4.903 20 0 JJADRN Cc1ccc(Br)c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 ZINC001450773420 1067118959 /nfs/dbraw/zinc/11/89/59/1067118959.db2.gz JXQHNQKDZCCTCQ-UHFFFAOYSA-N 0 0 459.365 4.952 20 0 JJADRN CC[C@@H](c1nnc(SCc2cccnc2C(F)(F)F)n1-c1ccc(OC)cc1)N(C)C ZINC001458727487 1067119721 /nfs/dbraw/zinc/11/97/21/1067119721.db2.gz CCHKNIPEZDOQPP-KRWDZBQOSA-N 0 0 451.518 4.995 20 0 JJADRN O=C(COc1cccc(Br)c1)N1CC=C(c2cccc(Br)c2)CC1 ZINC001458727799 1067120228 /nfs/dbraw/zinc/12/02/28/1067120228.db2.gz QPZMBPSKSRAMGP-UHFFFAOYSA-N 0 0 451.158 4.906 20 0 JJADRN CCc1sc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)cc1Br ZINC001458728319 1067120240 /nfs/dbraw/zinc/12/02/40/1067120240.db2.gz KOGLLGJJDJTBQF-WMLDXEAASA-N 0 0 450.398 4.855 20 0 JJADRN COc1cc(Br)ccc1OC(=O)c1cc(Br)c(Br)[nH]1 ZINC001450781852 1067120306 /nfs/dbraw/zinc/12/03/06/1067120306.db2.gz NSYVBOQTRKZCDW-UHFFFAOYSA-N 0 0 453.912 4.530 20 0 JJADRN Cn1c(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc2cccc(Cl)c21 ZINC001458729696 1067121606 /nfs/dbraw/zinc/12/16/06/1067121606.db2.gz LXFBOJAQMOWCSP-MRXNPFEDSA-N 0 0 451.741 4.777 20 0 JJADRN Cn1c(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc2cccc(Cl)c21 ZINC001458729692 1067121614 /nfs/dbraw/zinc/12/16/14/1067121614.db2.gz LXFBOJAQMOWCSP-INIZCTEOSA-N 0 0 451.741 4.777 20 0 JJADRN CC[C@@]1(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)OCCc2ccccc21 ZINC001450789889 1067121823 /nfs/dbraw/zinc/12/18/23/1067121823.db2.gz QJDNXFLPWDONSG-DEOSSOPVSA-N 0 0 456.011 4.921 20 0 JJADRN CC[C@H](C)[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC ZINC001458729979 1067122179 /nfs/dbraw/zinc/12/21/79/1067122179.db2.gz KBBOHUBPXULNLT-BBATYDOGSA-N 0 0 452.910 4.997 20 0 JJADRN CC[C@@H](C)[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC ZINC001458729997 1067122221 /nfs/dbraw/zinc/12/22/21/1067122221.db2.gz KBBOHUBPXULNLT-ZMZPIMSZSA-N 0 0 452.910 4.997 20 0 JJADRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001450800578 1067122498 /nfs/dbraw/zinc/12/24/98/1067122498.db2.gz VIQPICPUYNIGIT-JOCHJYFZSA-N 0 0 453.329 4.972 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1cccc2ccccc21 ZINC001450798080 1067122510 /nfs/dbraw/zinc/12/25/10/1067122510.db2.gz JVKRTIVJMONUAI-RTWAWAEBSA-N 0 0 456.583 4.890 20 0 JJADRN CCC[C@@H](CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC001458730990 1067122884 /nfs/dbraw/zinc/12/28/84/1067122884.db2.gz IRSQXDOWWBFZIK-HNNXBMFYSA-N 0 0 454.398 4.638 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)Oc1cccc2c1OCCO2 ZINC001458731846 1067122892 /nfs/dbraw/zinc/12/28/92/1067122892.db2.gz XNPCZKLAQNBDLN-AWEZNQCLSA-N 0 0 452.288 4.627 20 0 JJADRN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Br)c(F)c1F ZINC001458732398 1067123511 /nfs/dbraw/zinc/12/35/11/1067123511.db2.gz QLELVQQNVUOFDM-UHFFFAOYSA-N 0 0 457.274 4.723 20 0 JJADRN C[C@]1(c2cccc(Br)c2)NC(=O)N(CCCOc2cccc3ccccc32)C1=O ZINC001458732831 1067123612 /nfs/dbraw/zinc/12/36/12/1067123612.db2.gz LOHGRRQXFVUOIO-HSZRJFAPSA-N 0 0 453.336 4.838 20 0 JJADRN Cc1sc(Br)nc1C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC001545807018 1067123641 /nfs/dbraw/zinc/12/36/41/1067123641.db2.gz XLYRCXZNVJWDIO-INIZCTEOSA-N 0 0 457.353 4.510 20 0 JJADRN CC(C)(C)n1nnc(CCSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC001458733037 1067124041 /nfs/dbraw/zinc/12/40/41/1067124041.db2.gz OUJRXUQJWFFDGG-UHFFFAOYSA-N 0 0 454.003 4.588 20 0 JJADRN CCOc1ccc(-n2c3ccccc3nc2SCc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC001458734123 1067124822 /nfs/dbraw/zinc/12/48/22/1067124822.db2.gz LQILDPAEJKGWKJ-UHFFFAOYSA-N 0 0 453.589 4.625 20 0 JJADRN CN(C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001450812082 1067124856 /nfs/dbraw/zinc/12/48/56/1067124856.db2.gz LKGDASPOZHGTBN-DQEYMECFSA-N 0 0 458.558 4.913 20 0 JJADRN CN(C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001450812085 1067125047 /nfs/dbraw/zinc/12/50/47/1067125047.db2.gz LKGDASPOZHGTBN-JWQCQUIFSA-N 0 0 458.558 4.913 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC001546026332 1067125059 /nfs/dbraw/zinc/12/50/59/1067125059.db2.gz LOWOIVCLNGDVNF-FQEVSTJZSA-N 0 0 489.414 4.738 20 0 JJADRN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O ZINC001458734513 1067125560 /nfs/dbraw/zinc/12/55/60/1067125560.db2.gz IQFBZTSSDFYJDF-HLLQZAQXSA-N 0 0 452.860 4.679 20 0 JJADRN CCc1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001546510697 1067125624 /nfs/dbraw/zinc/12/56/24/1067125624.db2.gz KVGLVROFGZJCOW-NQIIRXRSSA-N 0 0 487.645 4.702 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001546026409 1067125664 /nfs/dbraw/zinc/12/56/64/1067125664.db2.gz NXEXCNQSPIIXRF-LJQANCHMSA-N 0 0 476.408 4.776 20 0 JJADRN Cc1sc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n(C)c(=O)c2c1C ZINC001458736551 1067126134 /nfs/dbraw/zinc/12/61/34/1067126134.db2.gz TVZGAOHJAUHKSR-ZBFHGGJFSA-N 0 0 455.649 4.849 20 0 JJADRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450823486 1067126235 /nfs/dbraw/zinc/12/62/35/1067126235.db2.gz CIIPHERWXGIFJZ-PZJWPPBQSA-N 0 0 457.368 4.643 20 0 JJADRN C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001546103108 1067126989 /nfs/dbraw/zinc/12/69/89/1067126989.db2.gz ZZKQYFCVEVBJHB-GXTWGEPZSA-N 0 0 453.370 4.932 20 0 JJADRN Cc1ccc(CC(=O)N2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001450828595 1067127115 /nfs/dbraw/zinc/12/71/15/1067127115.db2.gz JOONJCBKQFCFEF-IFMALSPDSA-N 0 0 451.007 4.502 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nccc4sccc43)CC2)cc(Cl)c1Br ZINC001450829542 1067127125 /nfs/dbraw/zinc/12/71/25/1067127125.db2.gz OPBRFDAWOSXSSN-UHFFFAOYSA-N 0 0 450.789 4.983 20 0 JJADRN CCCCc1ccc(CC(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001450827085 1067127144 /nfs/dbraw/zinc/12/71/44/1067127144.db2.gz FHVCOLSKDAFRIO-UKILVPOCSA-N 0 0 458.643 4.883 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001546026570 1067127592 /nfs/dbraw/zinc/12/75/92/1067127592.db2.gz SHAQAKJYSAUCDE-RTBURBONSA-N 0 0 453.414 4.951 20 0 JJADRN COC(=O)CC[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)OC ZINC001458739644 1067128216 /nfs/dbraw/zinc/12/82/16/1067128216.db2.gz ZTJIQBMEYHTZEG-LJQANCHMSA-N 0 0 459.612 4.945 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC001546103139 1067128334 /nfs/dbraw/zinc/12/83/34/1067128334.db2.gz AVTJEGBIQLNGKX-BZSNNMDCSA-N 0 0 480.078 4.677 20 0 JJADRN COC(=O)CC[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)OC ZINC001458739635 1067128385 /nfs/dbraw/zinc/12/83/85/1067128385.db2.gz ZTJIQBMEYHTZEG-IBGZPJMESA-N 0 0 459.612 4.945 20 0 JJADRN C[C@H]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450834200 1067128297 /nfs/dbraw/zinc/12/82/97/1067128297.db2.gz HXEZPEGENATIHV-ZFWWWQNUSA-N 0 0 459.812 4.654 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccoc1C ZINC001546026688 1067128653 /nfs/dbraw/zinc/12/86/53/1067128653.db2.gz XSRHXNIRRUKVKC-UHFFFAOYSA-N 0 0 453.406 4.858 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001458742648 1067128780 /nfs/dbraw/zinc/12/87/80/1067128780.db2.gz YZLGETZPLVKYGW-BEFAXECRSA-N 0 0 456.514 4.870 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCc1ccccn1 ZINC001546026717 1067129727 /nfs/dbraw/zinc/12/97/27/1067129727.db2.gz YOHSSXPEPAIMRB-UHFFFAOYSA-N 0 0 490.421 4.862 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCC2)C1 ZINC001546026733 1067130225 /nfs/dbraw/zinc/13/02/25/1067130225.db2.gz ZEPGEBVPBSYTLJ-UHFFFAOYSA-N 0 0 451.384 4.778 20 0 JJADRN CN(C)C(=O)Sc1ccc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001458745985 1067130351 /nfs/dbraw/zinc/13/03/51/1067130351.db2.gz XEFVSHFVUJDCDF-HXUWFJFHSA-N 0 0 452.363 4.734 20 0 JJADRN CCCn1c(SCC(=O)c2cnccn2)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC001458748403 1067131146 /nfs/dbraw/zinc/13/11/46/1067131146.db2.gz AQGDISLSCYFKCG-CQSZACIVSA-N 0 0 456.637 4.784 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1SCCCOc1ccccc1 ZINC001458752786 1067132224 /nfs/dbraw/zinc/13/22/24/1067132224.db2.gz PSINLVSCYHSJJP-UHFFFAOYSA-N 0 0 459.637 4.792 20 0 JJADRN COC(=O)c1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1F ZINC001458753188 1067132242 /nfs/dbraw/zinc/13/22/42/1067132242.db2.gz QLRXZKVGLWZVSP-UHFFFAOYSA-N 0 0 458.534 4.610 20 0 JJADRN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)NCCOc1ccc(F)cc1 ZINC001458757673 1067132855 /nfs/dbraw/zinc/13/28/55/1067132855.db2.gz ZLNUJEMBUVUWKV-UHFFFAOYSA-N 0 0 455.477 4.892 20 0 JJADRN CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NCc4ccc(F)cc4)n3C)cc2C1 ZINC001458756609 1067132903 /nfs/dbraw/zinc/13/29/03/1067132903.db2.gz YPMIHCQLCNCQJK-CABCVRRESA-N 0 0 458.628 4.995 20 0 JJADRN Cc1nc(Cc2nnc(SCc3cc4c(cc3Br)OCCCO4)o2)cs1 ZINC001458757000 1067132910 /nfs/dbraw/zinc/13/29/10/1067132910.db2.gz WHWXZBBZBCVBMF-UHFFFAOYSA-N 0 0 454.371 4.641 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCOc3ccc(CC)cc32)cnn1-c1cc(F)c(OC)cc1F ZINC001458763518 1067134126 /nfs/dbraw/zinc/13/41/26/1067134126.db2.gz ZOFUSJVXPRIJLE-FQEVSTJZSA-N 0 0 455.505 4.928 20 0 JJADRN Cc1ccc(C[C@H](CO)NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1C ZINC001450904365 1067134670 /nfs/dbraw/zinc/13/46/70/1067134670.db2.gz LCGXRYOQZXQAPV-OAQYLSRUSA-N 0 0 451.998 4.745 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 ZINC001458764087 1067134751 /nfs/dbraw/zinc/13/47/51/1067134751.db2.gz RGJWVINEMFDFMM-AWEZNQCLSA-N 0 0 455.917 4.757 20 0 JJADRN Cc1nnc([C@H](C)NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)s1 ZINC001458765964 1067135444 /nfs/dbraw/zinc/13/54/44/1067135444.db2.gz VFPDOXCAOQYKRC-GTNSWQLSSA-N 0 0 450.333 4.746 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CCOCC1 ZINC001450937639 1067136152 /nfs/dbraw/zinc/13/61/52/1067136152.db2.gz BGJONUZRFPEZJS-UHFFFAOYSA-N 0 0 453.366 4.999 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001546027554 1067136869 /nfs/dbraw/zinc/13/68/69/1067136869.db2.gz CWIIKWDYOKMHCE-UHFFFAOYSA-N 0 0 470.536 4.682 20 0 JJADRN O=C(NCCC1CC(F)(F)C1)c1ccc(NC(=O)c2cccc(Br)c2)cc1O ZINC001450979267 1067137930 /nfs/dbraw/zinc/13/79/30/1067137930.db2.gz XWDQOGHXMLBDCK-UHFFFAOYSA-N 0 0 453.283 4.572 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCN1C(=O)OC(C)(C)C ZINC001450994713 1067138659 /nfs/dbraw/zinc/13/86/59/1067138659.db2.gz QZPSBRQEFNUMHW-JQHSSLGASA-N 0 0 452.393 4.543 20 0 JJADRN CC[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCN1C(=O)OC(C)(C)C ZINC001450994714 1067138671 /nfs/dbraw/zinc/13/86/71/1067138671.db2.gz QZPSBRQEFNUMHW-KBAYOESNSA-N 0 0 452.393 4.543 20 0 JJADRN CCCn1c(=O)n(C)c(=O)c2c(S[C@@H](C)c3ccc(F)c(Cl)c3)nc(C(C)C)nc21 ZINC001458772688 1067139081 /nfs/dbraw/zinc/13/90/81/1067139081.db2.gz SLXHUFRWDKXUFT-LBPRGKRZSA-N 0 0 450.967 4.669 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C(C)C)C1 ZINC001546028030 1067139236 /nfs/dbraw/zinc/13/92/36/1067139236.db2.gz TZPYQJRTTDISNP-SFHVURJKSA-N 0 0 485.467 4.976 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCC2)C1 ZINC001546027996 1067139319 /nfs/dbraw/zinc/13/93/19/1067139319.db2.gz SHVBLNXAVQLSOJ-UHFFFAOYSA-N 0 0 481.410 4.547 20 0 JJADRN COc1cccc(-n2c(SCC(=O)c3cc(F)c(C)cc3F)nc3ccccc3c2=O)c1 ZINC001458773651 1067139576 /nfs/dbraw/zinc/13/95/76/1067139576.db2.gz HFOXBGYULULPBB-UHFFFAOYSA-N 0 0 452.482 4.956 20 0 JJADRN COc1cccc(-n2c(SCC(=O)N(C)[C@H]3CCCC[C@H]3C)nc3ccccc3c2=O)c1 ZINC001458774713 1067139606 /nfs/dbraw/zinc/13/96/06/1067139606.db2.gz IJZOITCMNJVQMI-VGSWGCGISA-N 0 0 451.592 4.524 20 0 JJADRN CC(=O)Oc1ccc(CC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC001458775494 1067140656 /nfs/dbraw/zinc/14/06/56/1067140656.db2.gz FTXSAMODLZDTBN-UHFFFAOYSA-N 0 0 458.539 4.523 20 0 JJADRN O[C@@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cc(Br)no1 ZINC001458776294 1067141086 /nfs/dbraw/zinc/14/10/86/1067141086.db2.gz OEJSTZZERAPTMO-HNNXBMFYSA-N 0 0 455.337 4.782 20 0 JJADRN CC[C@@H]1C[C@H](CC(=O)Oc2ccc(I)c(Br)c2)CCO1 ZINC001458776055 1067141220 /nfs/dbraw/zinc/14/12/20/1067141220.db2.gz MLHOGSPWIASBQP-GHMZBOCLSA-N 0 0 453.114 4.554 20 0 JJADRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3nc2SCC(=O)NCc2ccccc2F)[C@@H]1C ZINC001458777119 1067141892 /nfs/dbraw/zinc/14/18/92/1067141892.db2.gz KJMAUEXTXHMINA-DRSNIGMVSA-N 0 0 453.583 4.941 20 0 JJADRN Cc1cc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)ccc1Br ZINC001451039953 1067142034 /nfs/dbraw/zinc/14/20/34/1067142034.db2.gz JANNHZUFROGQML-LJQANCHMSA-N 0 0 451.792 4.872 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001546028176 1067142536 /nfs/dbraw/zinc/14/25/36/1067142536.db2.gz ZSBASMGARQUYDL-UHFFFAOYSA-N 0 0 471.646 4.546 20 0 JJADRN Cc1ccccc1-n1c(SCC(=O)c2cn(C)nn2)nnc1-c1ccc(Cl)cc1Cl ZINC001458780123 1067142921 /nfs/dbraw/zinc/14/29/21/1067142921.db2.gz OGEIAMIVDVEOTI-UHFFFAOYSA-N 0 0 459.362 4.653 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)n1 ZINC001451049061 1067143352 /nfs/dbraw/zinc/14/33/52/1067143352.db2.gz IKRUEXQWDABQJW-JOCHJYFZSA-N 0 0 452.599 4.946 20 0 JJADRN CCn1c(SC[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nnc1-c1cccc(C)c1 ZINC001458780606 1067143396 /nfs/dbraw/zinc/14/33/96/1067143396.db2.gz NCHHXPFQMAJAEZ-CYFREDJKSA-N 0 0 458.628 4.782 20 0 JJADRN Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC001451051202 1067144091 /nfs/dbraw/zinc/14/40/91/1067144091.db2.gz TVOJZFNFTFIEIO-AWEZNQCLSA-N 0 0 455.393 4.592 20 0 JJADRN CCCCn1cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c(C)n1 ZINC001451054599 1067144155 /nfs/dbraw/zinc/14/41/55/1067144155.db2.gz XPKABSZEHSHYHA-UHFFFAOYSA-N 0 0 450.768 4.905 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc(Cl)c(C)cc2Br)CC1=O ZINC001458780667 1067144065 /nfs/dbraw/zinc/14/40/65/1067144065.db2.gz HTTXXLFEBMWZMU-ZDUSSCGKSA-N 0 0 451.748 4.720 20 0 JJADRN Cc1cc(C)cc(-n2c(S[C@@H](C)C(=O)NCCc3ccccc3)nc3ccccc3c2=O)c1 ZINC001458780719 1067144130 /nfs/dbraw/zinc/14/41/30/1067144130.db2.gz OCGCFVCQBFTRAC-FQEVSTJZSA-N 0 0 457.599 4.842 20 0 JJADRN COCC(=O)N1CCc2c1cccc2NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC001458780901 1067144168 /nfs/dbraw/zinc/14/41/68/1067144168.db2.gz LTEFGLIFYZWSRW-UHFFFAOYSA-N 0 0 456.970 4.941 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)c1noc(C(F)F)n1 ZINC001451078579 1067145353 /nfs/dbraw/zinc/14/53/53/1067145353.db2.gz DYPOFLVLKLXGJA-NSHDSACASA-N 0 0 452.255 4.840 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(F)cccc2Cl)C1 ZINC001546103631 1067146065 /nfs/dbraw/zinc/14/60/65/1067146065.db2.gz QKSFWNDJOXHBPG-UHFFFAOYSA-N 0 0 456.953 4.783 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)N(C)C)C1 ZINC001546103715 1067146612 /nfs/dbraw/zinc/14/66/12/1067146612.db2.gz UIADSKWQNZDOIV-SFHVURJKSA-N 0 0 462.038 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC001451107838 1067146731 /nfs/dbraw/zinc/14/67/31/1067146731.db2.gz BMKJPJACIRNCRD-QHAWAJNXSA-N 0 0 457.640 4.577 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2noc(-c3cccc(F)c3)n2)C1 ZINC001451120669 1067147552 /nfs/dbraw/zinc/14/75/52/1067147552.db2.gz XJMGGXYLUCWKCD-IEBWSBKVSA-N 0 0 458.534 4.518 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c(O)c1 ZINC001546028467 1067148179 /nfs/dbraw/zinc/14/81/79/1067148179.db2.gz HHQDCTXCSGTLGI-UHFFFAOYSA-N 0 0 454.445 4.748 20 0 JJADRN Cc1ccc(-c2cc3nc(SCCOCCO)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC001458793012 1067148727 /nfs/dbraw/zinc/14/87/27/1067148727.db2.gz BUWAZCZLGDWHSF-UHFFFAOYSA-N 0 0 452.601 4.583 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C[C@@H]2C1 ZINC001451131753 1067148744 /nfs/dbraw/zinc/14/87/44/1067148744.db2.gz IMGIUCCBPVHPPD-FRQCXROJSA-N 0 0 452.517 4.889 20 0 JJADRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001451137058 1067148829 /nfs/dbraw/zinc/14/88/29/1067148829.db2.gz LZIITTCVGBWBJW-IPMKNSEASA-N 0 0 454.567 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@@H]2C1 ZINC001451142821 1067149350 /nfs/dbraw/zinc/14/93/50/1067149350.db2.gz PYSDGOMFXNQIGJ-BFHYXJOUSA-N 0 0 451.976 4.822 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@H]2C1 ZINC001451142834 1067150006 /nfs/dbraw/zinc/15/00/06/1067150006.db2.gz PYSDGOMFXNQIGJ-MELADBBJSA-N 0 0 451.976 4.822 20 0 JJADRN C/C(=C/C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccccc1OC(F)F ZINC001451143249 1067150047 /nfs/dbraw/zinc/15/00/47/1067150047.db2.gz QMHYODRDQOFYOG-WFHIUFOISA-N 0 0 450.526 4.843 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 ZINC001458795824 1067150066 /nfs/dbraw/zinc/15/00/66/1067150066.db2.gz XUTVUMBQCUTMNA-AWEZNQCLSA-N 0 0 456.515 4.906 20 0 JJADRN CC(C)[C@H](NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC001458806220 1067150549 /nfs/dbraw/zinc/15/05/49/1067150549.db2.gz BBIGLKIBBCHWTP-QFIPXVFZSA-N 0 0 455.979 4.945 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Br)c(Cl)c1Cl)N1C(=O)c2ccccc2C1=O ZINC001458805092 1067150668 /nfs/dbraw/zinc/15/06/68/1067150668.db2.gz WNNBVSHUOFJKGP-UHFFFAOYSA-N 0 0 456.123 4.769 20 0 JJADRN O=S(=O)(CCSc1nccn1-c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC001458812786 1067152537 /nfs/dbraw/zinc/15/25/37/1067152537.db2.gz NLRRQFDLZONZGX-UHFFFAOYSA-N 0 0 457.802 4.854 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(SC(F)(F)F)nc2)cc1 ZINC001451200121 1067153849 /nfs/dbraw/zinc/15/38/49/1067153849.db2.gz SWCBPIRFUCCVLY-QGZVFWFLSA-N 0 0 454.518 4.855 20 0 JJADRN COC(=O)c1ccc(OCCSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c(Cl)c1 ZINC001458817203 1067154331 /nfs/dbraw/zinc/15/43/31/1067154331.db2.gz VFGZVSGBMMTBKO-UHFFFAOYSA-N 0 0 454.335 4.745 20 0 JJADRN O=Cc1cc(Br)ccc1OCc1nc(Cc2cccc(Br)c2)no1 ZINC001458818312 1067154373 /nfs/dbraw/zinc/15/43/73/1067154373.db2.gz JMRQYCRXCVTMAV-UHFFFAOYSA-N 0 0 452.102 4.577 20 0 JJADRN O=C(c1cc2cc(Br)sc2[nH]1)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451246081 1067155153 /nfs/dbraw/zinc/15/51/53/1067155153.db2.gz MOCWAVPCATUKQT-QGZVFWFLSA-N 0 0 455.324 4.856 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451241206 1067155227 /nfs/dbraw/zinc/15/52/27/1067155227.db2.gz DBVYYNNWPQQMIG-XCLFUZPHSA-N 0 0 458.427 4.584 20 0 JJADRN CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC001458820297 1067155453 /nfs/dbraw/zinc/15/54/53/1067155453.db2.gz CKOVVUZKCMFDRJ-INIZCTEOSA-N 0 0 455.649 4.886 20 0 JJADRN COc1cccc([C@H](OC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c2ccncc2)c1 ZINC001458820417 1067155526 /nfs/dbraw/zinc/15/55/26/1067155526.db2.gz WRUBLXMXQNLBQK-JYFHCDHNSA-N 0 0 458.558 4.892 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451247800 1067155602 /nfs/dbraw/zinc/15/56/02/1067155602.db2.gz PJBVSGOYFVMPNY-JOCHJYFZSA-N 0 0 454.558 4.712 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001451246713 1067155667 /nfs/dbraw/zinc/15/56/67/1067155667.db2.gz HHTMAUPIYISRRA-QFIPXVFZSA-N 0 0 458.606 4.971 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(I)c2C)nn1-c1cccc(Cl)c1 ZINC001458822887 1067157252 /nfs/dbraw/zinc/15/72/52/1067157252.db2.gz ISZCJOCUECOKOB-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN Cc1c(Br)c(Cl)ncc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001458825105 1067157851 /nfs/dbraw/zinc/15/78/51/1067157851.db2.gz PVWAOBOLEOMROH-UHFFFAOYSA-N 0 0 457.777 4.775 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC001458825239 1067158026 /nfs/dbraw/zinc/15/80/26/1067158026.db2.gz YYTZZVIRAFFYNU-NRFANRHFSA-N 0 0 454.958 4.538 20 0 JJADRN COC(=O)c1cc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)oc1C ZINC001458825531 1067158399 /nfs/dbraw/zinc/15/83/99/1067158399.db2.gz XIBQAQOQVOARSR-UHFFFAOYSA-N 0 0 453.495 4.966 20 0 JJADRN COc1cc(F)cc(C[C@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 ZINC001451302165 1067158533 /nfs/dbraw/zinc/15/85/33/1067158533.db2.gz KFOHJDZAUJXITG-UUOWRZLLSA-N 0 0 450.510 4.549 20 0 JJADRN Cc1cc(=O)oc2cc(OCCSc3nnc(COc4ccc(Cl)cc4)n3C)ccc12 ZINC001458825863 1067159114 /nfs/dbraw/zinc/15/91/14/1067159114.db2.gz GERRRLDXWWLMCF-UHFFFAOYSA-N 0 0 457.939 4.633 20 0 JJADRN CN(CC1CCCCC1)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC001458825651 1067159127 /nfs/dbraw/zinc/15/91/27/1067159127.db2.gz ZABFHBZAXNIOAE-UHFFFAOYSA-N 0 0 459.999 4.822 20 0 JJADRN Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NCCc3ccccc3)nc3ccccc3c2=O)c1 ZINC001458825636 1067159191 /nfs/dbraw/zinc/15/91/91/1067159191.db2.gz YXFIVISAXGSYNL-HXUWFJFHSA-N 0 0 457.599 4.842 20 0 JJADRN Cc1cc(COc2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2Br)on1 ZINC001458827884 1067159725 /nfs/dbraw/zinc/15/97/25/1067159725.db2.gz RIWHNRACLMITHI-UHFFFAOYSA-N 0 0 459.344 4.968 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(CSc2ccc(F)cc2)cc1 ZINC001451334044 1067160146 /nfs/dbraw/zinc/16/01/46/1067160146.db2.gz YOQWLDVIYPFRSH-JAXLGGSGSA-N 0 0 459.612 4.782 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nccn3C3CC3)c2)cc1 ZINC001451332618 1067160252 /nfs/dbraw/zinc/16/02/52/1067160252.db2.gz ZYUXORJJSNJOAM-UHFFFAOYSA-N 0 0 452.580 4.922 20 0 JJADRN CCOc1ccc(OC(=O)CSc2nc3sc4c(c3c(=O)n2CC)CC[C@@H](C)C4)cc1 ZINC001458828325 1067160352 /nfs/dbraw/zinc/16/03/52/1067160352.db2.gz JTIXBDJEVQKTAF-CQSZACIVSA-N 0 0 458.605 4.699 20 0 JJADRN C[C@@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1cncn1C ZINC001458827815 1067160373 /nfs/dbraw/zinc/16/03/73/1067160373.db2.gz UOUQKGHFEBUGNF-AWEZNQCLSA-N 0 0 455.381 4.794 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)on1 ZINC001545821417 1067161259 /nfs/dbraw/zinc/16/12/59/1067161259.db2.gz CLGCPWPAXIGRFM-JXFKEZNVSA-N 0 0 460.623 4.691 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N3CCC[C@]4(CCSC4)C3)ccc21 ZINC001451369437 1067161436 /nfs/dbraw/zinc/16/14/36/1067161436.db2.gz JGCDHJDOFDVMQQ-VWLOTQADSA-N 0 0 457.640 4.915 20 0 JJADRN CCc1sc2nc(SCCOCC(F)(F)F)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC001458829478 1067161455 /nfs/dbraw/zinc/16/14/55/1067161455.db2.gz XYZYASJNUBUDQV-UHFFFAOYSA-N 0 0 458.527 4.998 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)CC(C)(C)C2)on1 ZINC001545821530 1067161760 /nfs/dbraw/zinc/16/17/60/1067161760.db2.gz FWHXOBXRUIDFFD-KRWDZBQOSA-N 0 0 465.602 4.738 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cncc(C)c3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458833968 1067162500 /nfs/dbraw/zinc/16/25/00/1067162500.db2.gz FMZNPUTXPVOKAT-RMKNXTFCSA-N 0 0 459.571 4.547 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)/C=C\c3cncc(C)c3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458833974 1067162517 /nfs/dbraw/zinc/16/25/17/1067162517.db2.gz FMZNPUTXPVOKAT-TWGQIWQCSA-N 0 0 459.571 4.547 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001451381643 1067162536 /nfs/dbraw/zinc/16/25/36/1067162536.db2.gz VFDMJYLQYKZBCD-UWHLTILDSA-N 0 0 483.575 4.607 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3ccc(C)c(C)c3Cl)c2C)c1 ZINC001458834874 1067162825 /nfs/dbraw/zinc/16/28/25/1067162825.db2.gz HIHXOUXVKXDKCU-QFIPXVFZSA-N 0 0 453.970 4.982 20 0 JJADRN CNC(=O)[C@@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C ZINC001458834842 1067162933 /nfs/dbraw/zinc/16/29/33/1067162933.db2.gz MGAQMTQVACBTNH-XMMPIXPASA-N 0 0 456.615 4.924 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1c1cccc(F)c1 ZINC001451388117 1067163091 /nfs/dbraw/zinc/16/30/91/1067163091.db2.gz JNMPCFOEJJRKOT-AZUAARDMSA-N 0 0 450.913 4.680 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCn2ccc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC001451391093 1067163655 /nfs/dbraw/zinc/16/36/55/1067163655.db2.gz NHRYIPJHUWXFLT-FCHUYYIVSA-N 0 0 451.542 4.690 20 0 JJADRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458835159 1067163662 /nfs/dbraw/zinc/16/36/62/1067163662.db2.gz GKAXDVLOWKUQPB-WZONZLPQSA-N 0 0 454.933 4.910 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)Cc3ccc(C)c(Cl)c3)c2C)c1 ZINC001458835037 1067163685 /nfs/dbraw/zinc/16/36/85/1067163685.db2.gz IHLNTVIESBJEPZ-QHCPKHFHSA-N 0 0 453.970 4.602 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451391157 1067163688 /nfs/dbraw/zinc/16/36/88/1067163688.db2.gz OAFQHNVIEVZEPR-AZIXLERZSA-N 0 0 481.568 4.553 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1-c1ccc(C(C)C)cc1 ZINC001458835989 1067164263 /nfs/dbraw/zinc/16/42/63/1067164263.db2.gz SBMVLPREJZNRAW-UHFFFAOYSA-N 0 0 456.999 4.805 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)C[C@H]1c1cccc(F)c1 ZINC001451394254 1067164377 /nfs/dbraw/zinc/16/43/77/1067164377.db2.gz VTDKJOYFAHAUDF-RBUKOAKNSA-N 0 0 452.979 4.993 20 0 JJADRN COCCSCCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1OC ZINC001458836549 1067164920 /nfs/dbraw/zinc/16/49/20/1067164920.db2.gz OZOAXUGTYXDRIC-UHFFFAOYSA-N 0 0 451.013 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC001451398862 1067164922 /nfs/dbraw/zinc/16/49/22/1067164922.db2.gz JFRXCICOOUISJQ-WZYRSQIMSA-N 0 0 456.533 4.978 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 ZINC001451399697 1067164966 /nfs/dbraw/zinc/16/49/66/1067164966.db2.gz KPXVXZRUFDOSES-FFZOFVMBSA-N 0 0 453.526 4.654 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@H](c2ccccc2)C1 ZINC001451399699 1067164982 /nfs/dbraw/zinc/16/49/82/1067164982.db2.gz KPXVXZRUFDOSES-PWIZWCRZSA-N 0 0 453.526 4.654 20 0 JJADRN CCOc1cccc(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001451398487 1067165076 /nfs/dbraw/zinc/16/50/76/1067165076.db2.gz ICUWNRRABFCGRM-XZOQPEGZSA-N 0 0 456.558 4.676 20 0 JJADRN Cc1ccc(-n2c(S[C@H](C)C(=O)N(C)C(C)C)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC001458837777 1067165479 /nfs/dbraw/zinc/16/54/79/1067165479.db2.gz SDDVSARZQJCCJV-MRXNPFEDSA-N 0 0 455.649 4.900 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451407421 1067165486 /nfs/dbraw/zinc/16/54/86/1067165486.db2.gz XTVMPBPNUKDTAR-QLXKLKPCSA-N 0 0 453.558 4.805 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451407417 1067165613 /nfs/dbraw/zinc/16/56/13/1067165613.db2.gz XTVMPBPNUKDTAR-MRDQGFSESA-N 0 0 453.558 4.805 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(NC(C)=O)CC2)on1 ZINC001545823230 1067165690 /nfs/dbraw/zinc/16/56/90/1067165690.db2.gz FIHPODMUMUSCLJ-UHFFFAOYSA-N 0 0 471.005 4.643 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccc(OC)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)on1 ZINC001545823253 1067165702 /nfs/dbraw/zinc/16/57/02/1067165702.db2.gz GAALKKTXLBTWBT-QGZVFWFLSA-N 0 0 453.587 4.897 20 0 JJADRN CC(C)Cn1ncc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1C(F)F ZINC001458838245 1067166319 /nfs/dbraw/zinc/16/63/19/1067166319.db2.gz LDDQEYRMYWBMGG-UHFFFAOYSA-N 0 0 456.331 4.923 20 0 JJADRN CCCCc1ccc(-n2c(S[C@H](C)C(=O)CC(=O)OCC)nc3ccccc3c2=O)cc1 ZINC001458839273 1067166690 /nfs/dbraw/zinc/16/66/90/1067166690.db2.gz ZYEDMKMSJALBJO-QGZVFWFLSA-N 0 0 452.576 4.731 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1S[C@H]1CCC[C@@H](OC)C1 ZINC001458839632 1067166727 /nfs/dbraw/zinc/16/67/27/1067166727.db2.gz VNPNRXBQCYULSV-MSOLQXFVSA-N 0 0 453.674 4.917 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](O)c1ccccc1Br ZINC001451409781 1067166900 /nfs/dbraw/zinc/16/69/00/1067166900.db2.gz KIMJPEDBNRNKCB-ZBEGNZNMSA-N 0 0 459.203 4.542 20 0 JJADRN CC(=O)N1CCc2c(sc(NC(=O)/C=C\c3ccsc3)c2C(=O)c2ccc(C)cc2)C1 ZINC001458839958 1067167463 /nfs/dbraw/zinc/16/74/63/1067167463.db2.gz VOJQZRPELJBEDA-YVMONPNESA-N 0 0 450.585 4.906 20 0 JJADRN O=C([C@@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458841040 1067167489 /nfs/dbraw/zinc/16/74/89/1067167489.db2.gz RELQQRMVVYFBHJ-DOTOQJQBSA-N 0 0 450.295 4.567 20 0 JJADRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC001451410302 1067167566 /nfs/dbraw/zinc/16/75/66/1067167566.db2.gz FPNRWCRKLNEZKS-HXUWFJFHSA-N 0 0 456.384 4.873 20 0 JJADRN Cc1ccc(CNC(=O)c2nnc(COc3ccc(Br)cc3Cl)s2)cc1 ZINC001458841281 1067168087 /nfs/dbraw/zinc/16/80/87/1067168087.db2.gz ZSRYAOMSDZSIQA-UHFFFAOYSA-N 0 0 452.761 4.771 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3nn(C(C)C)c(=O)c4ccccc43)nnc2N(C)CC)on1 ZINC001545823771 1067168233 /nfs/dbraw/zinc/16/82/33/1067168233.db2.gz YGJLZERPOJEXLO-UHFFFAOYSA-N 0 0 463.586 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C(F)(F)c2cc(F)cc(F)c2)C[C@H]1c1ccccc1F ZINC001451412947 1067168554 /nfs/dbraw/zinc/16/85/54/1067168554.db2.gz UCHSZMKVTIUIIG-PKOBYXMFSA-N 0 0 470.438 4.715 20 0 JJADRN Cc1cc(CCC(=O)N(C)C[C@H](O)c2cccc(Br)c2)ccc1Br ZINC001451412804 1067168573 /nfs/dbraw/zinc/16/85/73/1067168573.db2.gz LNUCLFAWXATTRZ-SFHVURJKSA-N 0 0 455.190 4.645 20 0 JJADRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(Br)cnc1Br)[C@@H]2C ZINC001458842399 1067168583 /nfs/dbraw/zinc/16/85/83/1067168583.db2.gz QWTVDNJISCVSCY-GHMZBOCLSA-N 0 0 454.162 4.763 20 0 JJADRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(Br)cnc1Br)[C@@H]2C ZINC001458842404 1067168667 /nfs/dbraw/zinc/16/86/67/1067168667.db2.gz QWTVDNJISCVSCY-WDEREUQCSA-N 0 0 454.162 4.763 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)on1 ZINC001545824511 1067169273 /nfs/dbraw/zinc/16/92/73/1067169273.db2.gz ANJCTQWGQWUTTD-SANMLTNESA-N 0 0 466.630 4.845 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1F ZINC001451413623 1067169272 /nfs/dbraw/zinc/16/92/72/1067169272.db2.gz WOQZVQJBAMQGJJ-QFBILLFUSA-N 0 0 452.448 4.977 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(=O)NCC3CC3)C2)on1 ZINC001545824700 1067169874 /nfs/dbraw/zinc/16/98/74/1067169874.db2.gz GXNRJOVIUMTFEF-HXUWFJFHSA-N 0 0 470.662 4.549 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H]2CCCOC2)on1 ZINC001545824785 1067169891 /nfs/dbraw/zinc/16/98/91/1067169891.db2.gz JQJORYUDQIUEAC-KRWDZBQOSA-N 0 0 473.568 4.950 20 0 JJADRN CCC(CC)c1cc(Cn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545824736 1067169897 /nfs/dbraw/zinc/16/98/97/1067169897.db2.gz HYTMJMIFDSSPPC-LJQANCHMSA-N 0 0 472.634 4.979 20 0 JJADRN O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCSC2(CCC2)CC1 ZINC001451425775 1067170579 /nfs/dbraw/zinc/17/05/79/1067170579.db2.gz PAGPLSGFPBRDIB-UHFFFAOYSA-N 0 0 451.013 4.643 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451427793 1067170611 /nfs/dbraw/zinc/17/06/11/1067170611.db2.gz XLZPZLGNDAKQEC-ZYKLXPEUSA-N 0 0 450.579 4.625 20 0 JJADRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001458846314 1067170542 /nfs/dbraw/zinc/17/05/42/1067170542.db2.gz CICRZYCEHLWQMS-OAHLLOKOSA-N 0 0 457.378 4.584 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)on1 ZINC001545825012 1067170549 /nfs/dbraw/zinc/17/05/49/1067170549.db2.gz PTPUVDCFQIMVME-QFIPXVFZSA-N 0 0 451.615 4.864 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)CNC(=O)NCc2ccc(Cl)cc2)cc1 ZINC001451429557 1067170713 /nfs/dbraw/zinc/17/07/13/1067170713.db2.gz DFJOIIZYUMFDOF-UHFFFAOYSA-N 0 0 451.954 4.599 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CCC(CC(=O)N(C)C)CC2)on1 ZINC001545825071 1067171088 /nfs/dbraw/zinc/17/10/88/1067171088.db2.gz RGIYASXHJZPPAO-UHFFFAOYSA-N 0 0 484.670 4.565 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)on1 ZINC001545825102 1067171186 /nfs/dbraw/zinc/17/11/86/1067171186.db2.gz SBQOKQFFILVAGW-SANMLTNESA-N 0 0 483.661 4.721 20 0 JJADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCCOc1ccc2ccccc2c1 ZINC001458847579 1067171164 /nfs/dbraw/zinc/17/11/64/1067171164.db2.gz SOEWRPJYQJQQGV-UHFFFAOYSA-N 0 0 455.605 4.808 20 0 JJADRN COC[C@H](CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3)OC ZINC001458848746 1067171257 /nfs/dbraw/zinc/17/12/57/1067171257.db2.gz AXMJCVWCMJJILZ-SJLPKXTDSA-N 0 0 458.649 4.579 20 0 JJADRN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(Br)c3Cl)C2=O)cc1 ZINC001458848559 1067171276 /nfs/dbraw/zinc/17/12/76/1067171276.db2.gz VWGJLVMAEGQNFU-FQEVSTJZSA-N 0 0 451.748 4.554 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](COC)C2)on1 ZINC001545825261 1067171672 /nfs/dbraw/zinc/17/16/72/1067171672.db2.gz XIKNSRZIUYMVHF-KRWDZBQOSA-N 0 0 473.568 4.950 20 0 JJADRN COc1cnc(F)c(C(=O)Nc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)c1 ZINC001458849914 1067171865 /nfs/dbraw/zinc/17/18/65/1067171865.db2.gz OMDBFMMDDMPKAR-UHFFFAOYSA-N 0 0 454.296 4.900 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@@H]2CCOC2)on1 ZINC001545825347 1067172183 /nfs/dbraw/zinc/17/21/83/1067172183.db2.gz ZVGUHSXHDRYIIZ-HXUWFJFHSA-N 0 0 453.587 4.639 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@H](C)[C@@H]3CC)nnc2[C@]2(OC(C)C)CCOC2)on1 ZINC001545826051 1067172659 /nfs/dbraw/zinc/17/26/59/1067172659.db2.gz DLOYCBNDDAEDBK-PZGSVQSZSA-N 0 0 459.635 4.883 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CC[C@H](C)[C@@H]3CC)nnc2[C@@]2(OC(C)C)CCOC2)on1 ZINC001545826050 1067172672 /nfs/dbraw/zinc/17/26/72/1067172672.db2.gz DLOYCBNDDAEDBK-KDSXSNECSA-N 0 0 459.635 4.883 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1CCc1csc(C)n1 ZINC001545826117 1067172691 /nfs/dbraw/zinc/17/26/91/1067172691.db2.gz GHJCEESPQLYBCT-HNNXBMFYSA-N 0 0 458.607 4.541 20 0 JJADRN CC(C)(C(=O)N1CCOCC2(CCOCC2)C1)c1csc(-c2c(F)cccc2Cl)n1 ZINC001458852379 1067173086 /nfs/dbraw/zinc/17/30/86/1067173086.db2.gz UOJMOASMTROFGW-UHFFFAOYSA-N 0 0 452.979 4.536 20 0 JJADRN CC(=O)NC1CCC(N(C)C(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 ZINC001458852507 1067173199 /nfs/dbraw/zinc/17/31/99/1067173199.db2.gz VJDQSMPRNPRNSX-ATKRNPRHSA-N 0 0 451.652 4.536 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(OC)cc2)n1C[C@H]1CCCSC1 ZINC001545826200 1067173432 /nfs/dbraw/zinc/17/34/32/1067173432.db2.gz HZCXMSKPQUOCHO-ZWKOTPCHSA-N 0 0 459.660 4.546 20 0 JJADRN Cc1ccc(NC(=O)CSc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001458854392 1067173740 /nfs/dbraw/zinc/17/37/40/1067173740.db2.gz CTZYTDHELQCJJH-UHFFFAOYSA-N 0 0 456.992 4.693 20 0 JJADRN O=S(=O)(c1ccc(SCCCc2ccccc2Br)nc1)N1CCCCC1 ZINC001458854253 1067173820 /nfs/dbraw/zinc/17/38/20/1067173820.db2.gz CGLIASKCPBHDOU-UHFFFAOYSA-N 0 0 455.443 4.744 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC[C@@H](O)C1CCC1)Nc1cc(Cl)cc(Cl)c1 ZINC001451473478 1067173891 /nfs/dbraw/zinc/17/38/91/1067173891.db2.gz AGLJABFUBCBIHM-GOSISDBHSA-N 0 0 453.391 4.615 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1C[C@@H](C)c1ncc(C)s1 ZINC001545826400 1067173923 /nfs/dbraw/zinc/17/39/23/1067173923.db2.gz MAOFBJRELFBKFZ-SJLPKXTDSA-N 0 0 454.644 4.963 20 0 JJADRN CCC(CC)c1cc(Cn2c(N3CCN(Cc4ccccc4OC)CC3)nnc2C(C)(C)C)on1 ZINC001545826393 1067173937 /nfs/dbraw/zinc/17/39/37/1067173937.db2.gz LVMUTTKGYJUHCW-UHFFFAOYSA-N 0 0 480.657 4.846 20 0 JJADRN Nc1c(I)cc(F)cc1C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001451480651 1067174772 /nfs/dbraw/zinc/17/47/72/1067174772.db2.gz ZPTBYYOMMMVYJY-SMDDNHRTSA-N 0 0 458.702 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(C)(C)C1(O)CCCC1)c1cccc(C(F)(F)F)c1 ZINC001451476169 1067174784 /nfs/dbraw/zinc/17/47/84/1067174784.db2.gz HBPALJSJYAKJTP-QGZVFWFLSA-N 0 0 458.521 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCC(C)(C)C1(O)CCCC1)c1cccc(C(F)(F)F)c1 ZINC001451476165 1067174815 /nfs/dbraw/zinc/17/48/15/1067174815.db2.gz HBPALJSJYAKJTP-KRWDZBQOSA-N 0 0 458.521 4.719 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc3c2OCO3)cc1NC(=O)c1ccc(Br)cc1 ZINC001458857079 1067174968 /nfs/dbraw/zinc/17/49/68/1067174968.db2.gz AGQXRIMOZQMUPA-UHFFFAOYSA-N 0 0 453.292 4.991 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)C1(NC(=O)OCc2ccccc2)CC1 ZINC001458857291 1067175042 /nfs/dbraw/zinc/17/50/42/1067175042.db2.gz IQMWEWNHPDNMPK-UHFFFAOYSA-N 0 0 455.967 4.954 20 0 JJADRN COc1cccc(NCc2nnc(SCCNC(=O)C3CCCC3)n2C2CCCCC2)c1 ZINC001458857962 1067175500 /nfs/dbraw/zinc/17/55/00/1067175500.db2.gz KOVPDLZBLSHIIY-UHFFFAOYSA-N 0 0 457.644 4.803 20 0 JJADRN CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC001451520443 1067176018 /nfs/dbraw/zinc/17/60/18/1067176018.db2.gz PLZNQLYBHSTGMB-UHFFFAOYSA-N 0 0 450.583 4.674 20 0 JJADRN CC(C)[C@@H]1N(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC001451520614 1067176128 /nfs/dbraw/zinc/17/61/28/1067176128.db2.gz HHGAMRLGAQCUFB-DEOSSOPVSA-N 0 0 458.668 4.752 20 0 JJADRN CC(C)[C@H]1N(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC001451520622 1067176132 /nfs/dbraw/zinc/17/61/32/1067176132.db2.gz HHGAMRLGAQCUFB-XMMPIXPASA-N 0 0 458.668 4.752 20 0 JJADRN Fc1cccc(-n2c(SCCSc3ccc(Cl)cc3)nnc2N2CCOCC2)c1 ZINC001458860375 1067176136 /nfs/dbraw/zinc/17/61/36/1067176136.db2.gz LBEQJAPEOJDBMR-UHFFFAOYSA-N 0 0 450.992 4.781 20 0 JJADRN Cc1c(Cl)cccc1-n1c(-c2ccccc2)cnc1SCCCS(=O)(=O)N(C)C ZINC001458859990 1067176216 /nfs/dbraw/zinc/17/62/16/1067176216.db2.gz PPIJSGRCGXSHMH-UHFFFAOYSA-N 0 0 450.029 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1Cc1ccc2c(n1)CCCC2 ZINC001545826771 1067176342 /nfs/dbraw/zinc/17/63/42/1067176342.db2.gz TUBVLPZWGYHDEJ-KRWDZBQOSA-N 0 0 496.606 4.994 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccc(C)c2ccccc12 ZINC001451523819 1067176698 /nfs/dbraw/zinc/17/66/98/1067176698.db2.gz FOROWLNATNEPBW-RUZDIDTESA-N 0 0 457.599 4.864 20 0 JJADRN C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001451522190 1067176724 /nfs/dbraw/zinc/17/67/24/1067176724.db2.gz HUIHGIKSQIXMCD-QFIPXVFZSA-N 0 0 456.493 4.922 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC001451527757 1067176755 /nfs/dbraw/zinc/17/67/55/1067176755.db2.gz SHWJUSAQNCYJHS-PDGQHHTCSA-N 0 0 459.727 4.783 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)on1 ZINC001545826964 1067176699 /nfs/dbraw/zinc/17/66/99/1067176699.db2.gz XYZIXYOFSHFIFD-RXVVDRJESA-N 0 0 488.633 4.515 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545826850 1067176760 /nfs/dbraw/zinc/17/67/60/1067176760.db2.gz VEWDMLNQGNBTOG-ICSRJNTNSA-N 0 0 481.620 4.616 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1Cc1cccc2c1OCCCO2 ZINC001545826945 1067176813 /nfs/dbraw/zinc/17/68/13/1067176813.db2.gz XOMDRCPUGDKJGM-KRWDZBQOSA-N 0 0 483.638 4.665 20 0 JJADRN CCS(=O)(=O)c1ccc(CSc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1 ZINC001458861450 1067176796 /nfs/dbraw/zinc/17/67/96/1067176796.db2.gz RLEZVGPHCQWJHH-UHFFFAOYSA-N 0 0 453.589 4.981 20 0 JJADRN CCOC(=O)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC001458863567 1067177324 /nfs/dbraw/zinc/17/73/24/1067177324.db2.gz MWVODIRGNMIUIA-OAHLLOKOSA-N 0 0 458.849 4.611 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)OC(C)(C)C2)on1 ZINC001545827038 1067177275 /nfs/dbraw/zinc/17/72/75/1067177275.db2.gz ZBJUSGZGWCMDBQ-SFHVURJKSA-N 0 0 483.613 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001545826991 1067177384 /nfs/dbraw/zinc/17/73/84/1067177384.db2.gz YMKRVXFUXRPAJA-KZNAEPCWSA-N 0 0 477.600 4.877 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001545827762 1067177794 /nfs/dbraw/zinc/17/77/94/1067177794.db2.gz AHSVVTZUQONAJM-QGZVFWFLSA-N 0 0 466.655 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC001451570147 1067178332 /nfs/dbraw/zinc/17/83/32/1067178332.db2.gz ANLAGWXEBKVAEK-WBVHZDCISA-N 0 0 451.405 4.581 20 0 JJADRN Nn1c(COc2c(Cl)cccc2Cl)nnc1SCc1ccc(F)c2cccnc12 ZINC001458866812 1067179191 /nfs/dbraw/zinc/17/91/91/1067179191.db2.gz JMOOQLAZJKODCU-UHFFFAOYSA-N 0 0 450.326 4.857 20 0 JJADRN CCOc1ccccc1OCc1nnc(SCc2ccc(Cl)c(C(F)(F)F)c2)n1N ZINC001458867986 1067179480 /nfs/dbraw/zinc/17/94/80/1067179480.db2.gz OKAIXCZNMFQICM-UHFFFAOYSA-N 0 0 458.893 4.934 20 0 JJADRN Cc1nc2ccccc2n1CCCCCSc1nnc(COc2c(C)cccc2C)n1N ZINC001458868981 1067179517 /nfs/dbraw/zinc/17/95/17/1067179517.db2.gz IPTFMFNMNHPQMO-UHFFFAOYSA-N 0 0 450.612 4.808 20 0 JJADRN Nn1c(COc2c(Cl)cccc2Cl)nnc1SC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001458869105 1067179589 /nfs/dbraw/zinc/17/95/89/1067179589.db2.gz VEQPDYDICSKNBS-PBHICJAKSA-N 0 0 451.379 4.890 20 0 JJADRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001451577399 1067179664 /nfs/dbraw/zinc/17/96/64/1067179664.db2.gz QCKRMWZSZOTDGL-XLIONFOSSA-N 0 0 456.587 4.602 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccco2)cc1 ZINC001451577924 1067179791 /nfs/dbraw/zinc/17/97/91/1067179791.db2.gz XPRKLDKIIQKPPO-DYESRHJHSA-N 0 0 459.329 4.854 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1Cc1ccccc1OC(F)F ZINC001545830172 1067179824 /nfs/dbraw/zinc/17/98/24/1067179824.db2.gz ONDXCPGWPJRZSX-VQIMIIECSA-N 0 0 463.573 4.861 20 0 JJADRN O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001451596141 1067180456 /nfs/dbraw/zinc/18/04/56/1067180456.db2.gz PBTHSTZKIDXMPR-HXUWFJFHSA-N 0 0 454.317 4.610 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001545829849 1067180525 /nfs/dbraw/zinc/18/05/25/1067180525.db2.gz HXVLVJRFOCEZSY-GBXCKJPGSA-N 0 0 477.657 4.640 20 0 JJADRN Cc1ccnn1-c1ccccc1NC(=O)c1cc(C)c(Cl)cc1I ZINC001458871978 1067180755 /nfs/dbraw/zinc/18/07/55/1067180755.db2.gz FJKCXFQKBZVOLP-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCCc1ccc(S(N)(=O)=O)cc1 ZINC001458872356 1067180795 /nfs/dbraw/zinc/18/07/95/1067180795.db2.gz FWKJRMKYDOCYFP-UHFFFAOYSA-N 0 0 457.543 4.837 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 ZINC001451601792 1067180936 /nfs/dbraw/zinc/18/09/36/1067180936.db2.gz YUKRBORLTROXNL-CZUORRHYSA-N 0 0 453.461 4.784 20 0 JJADRN CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001458872976 1067181623 /nfs/dbraw/zinc/18/16/23/1067181623.db2.gz DKWXZPYKFCEINH-DYXWJJEUSA-N 0 0 452.636 4.821 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)cc2C1 ZINC001458873889 1067181729 /nfs/dbraw/zinc/18/17/29/1067181729.db2.gz KOZRJUUUGMYYJV-CQSZACIVSA-N 0 0 453.276 4.575 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001545830343 1067181663 /nfs/dbraw/zinc/18/16/63/1067181663.db2.gz RWNJOIYHDXFROP-WSCWJOSJSA-N 0 0 495.590 4.662 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(CC)Cc3occc3C)c2)cc1 ZINC001451642846 1067181709 /nfs/dbraw/zinc/18/17/09/1067181709.db2.gz VKCKKZQFPXSYHO-UHFFFAOYSA-N 0 0 456.564 4.758 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCc1cc(C)ccc1OC ZINC001545830308 1067181815 /nfs/dbraw/zinc/18/18/15/1067181815.db2.gz RAEBUQLSHSXODJ-GCJKJVERSA-N 0 0 455.647 4.771 20 0 JJADRN COC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)C1 ZINC001451647796 1067182130 /nfs/dbraw/zinc/18/21/30/1067182130.db2.gz GIIIHGTVUKSOQG-QHCPKHFHSA-N 0 0 455.605 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545832011 1067182327 /nfs/dbraw/zinc/18/23/27/1067182327.db2.gz DIVDXDAHSMVZSC-DQPZFDDXSA-N 0 0 461.598 4.507 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c2ccccc21 ZINC001545832941 1067182940 /nfs/dbraw/zinc/18/29/40/1067182940.db2.gz GURTYKCEBVQIFP-AEFFLSMTSA-N 0 0 455.396 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)N[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC001458876253 1067183128 /nfs/dbraw/zinc/18/31/28/1067183128.db2.gz NYZBUZUCZWPSGQ-AEFFLSMTSA-N 0 0 450.526 4.722 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 ZINC001458876395 1067183188 /nfs/dbraw/zinc/18/31/88/1067183188.db2.gz SARFEXZMEZKURU-UHFFFAOYSA-N 0 0 456.907 4.792 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)noc2C)n1Cc1ccccc1C(F)(F)F ZINC001545833742 1067183537 /nfs/dbraw/zinc/18/35/37/1067183537.db2.gz IVYCROTVWIHFGR-UHFFFAOYSA-N 0 0 478.519 4.505 20 0 JJADRN COc1nscc1CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 ZINC001458877782 1067183845 /nfs/dbraw/zinc/18/38/45/1067183845.db2.gz VRZVMUIPDRDFFX-UDWIEESQSA-N 0 0 451.573 4.833 20 0 JJADRN COc1cc(Cl)c(C(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1OC ZINC001458877078 1067183847 /nfs/dbraw/zinc/18/38/47/1067183847.db2.gz NHANONGNWJEZRZ-UHFFFAOYSA-N 0 0 456.951 4.773 20 0 JJADRN C[C@@H]1C[C@H](CCNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CCO1 ZINC001458879568 1067184372 /nfs/dbraw/zinc/18/43/72/1067184372.db2.gz NWXRQTQEBJVFSW-ZIAGYGMSSA-N 0 0 455.908 4.968 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)cc21 ZINC001451665236 1067184554 /nfs/dbraw/zinc/18/45/54/1067184554.db2.gz QSAWOXSBTDMVLG-NZSAHSFTSA-N 0 0 458.990 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001545834849 1067184679 /nfs/dbraw/zinc/18/46/79/1067184679.db2.gz CAIUMHJTGUWDRB-RBUKOAKNSA-N 0 0 467.614 4.784 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2)n1CCc1nc(C(F)(F)F)cs1 ZINC001545834873 1067185345 /nfs/dbraw/zinc/18/53/45/1067185345.db2.gz DAGBBPCITHGNCE-UHFFFAOYSA-N 0 0 498.550 4.690 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CC1(OC)CCCCC1 ZINC001545834860 1067185398 /nfs/dbraw/zinc/18/53/98/1067185398.db2.gz COYRBKWOMHXQNY-UHFFFAOYSA-N 0 0 480.028 4.975 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@H]1COc2ccccc21 ZINC001545834959 1067185471 /nfs/dbraw/zinc/18/54/71/1067185471.db2.gz GZQUBXFQOVOOFZ-OAHLLOKOSA-N 0 0 474.030 4.724 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c2cccc(Cl)c2O1 ZINC001458881293 1067185579 /nfs/dbraw/zinc/18/55/79/1067185579.db2.gz XUUZZUAQWPVTLK-UTKZUKDTSA-N 0 0 453.970 4.709 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001545835090 1067185843 /nfs/dbraw/zinc/18/58/43/1067185843.db2.gz LERMRRNUPZZYPA-HOYKHHGWSA-N 0 0 480.028 4.973 20 0 JJADRN Cc1cc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)sc1-c1cccc(Cl)c1 ZINC001458884730 1067186176 /nfs/dbraw/zinc/18/61/76/1067186176.db2.gz FNOILZNYKUHSHV-UHFFFAOYSA-N 0 0 455.045 4.699 20 0 JJADRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458884965 1067186183 /nfs/dbraw/zinc/18/61/83/1067186183.db2.gz QDKCVPQFOLAGKP-HUUCEWRRSA-N 0 0 454.851 4.867 20 0 JJADRN O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001458884958 1067186189 /nfs/dbraw/zinc/18/61/89/1067186189.db2.gz QDKCVPQFOLAGKP-GJZGRUSLSA-N 0 0 454.851 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1CCc1cccc(C)n1 ZINC001545835270 1067186446 /nfs/dbraw/zinc/18/64/46/1067186446.db2.gz QYWFGRDSBCGTKY-UHFFFAOYSA-N 0 0 499.457 4.542 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1CCc1ccc(F)c(F)c1 ZINC001545835287 1067186462 /nfs/dbraw/zinc/18/64/62/1067186462.db2.gz ROCVLODARRJNSD-UHFFFAOYSA-N 0 0 461.582 4.724 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCc1cccc(F)c1 ZINC001545835285 1067186509 /nfs/dbraw/zinc/18/65/09/1067186509.db2.gz RLLXKSQTMCBBSD-UHFFFAOYSA-N 0 0 464.010 4.930 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCCC(F)(F)Cl)n(CCc1ccccc1)c2=O ZINC001458885204 1067186613 /nfs/dbraw/zinc/18/66/13/1067186613.db2.gz VMHYLXRDSAMSKR-UHFFFAOYSA-N 0 0 452.910 4.740 20 0 JJADRN COc1ccc(C2(C(=O)N3CCC4(CCN4C(=O)OC(C)(C)C)CC3)CCCC2)cc1OC ZINC001451699302 1067186796 /nfs/dbraw/zinc/18/67/96/1067186796.db2.gz JZXIIZFZNFIDJR-UHFFFAOYSA-N 0 0 458.599 4.518 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 ZINC001546033244 1067186969 /nfs/dbraw/zinc/18/69/69/1067186969.db2.gz RLSNVHWGUFPAHO-JXFKEZNVSA-N 0 0 477.447 4.957 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)o2)n1CC(C)(C)c1cccc(F)c1 ZINC001545835291 1067187275 /nfs/dbraw/zinc/18/72/75/1067187275.db2.gz RRQIAQVWHZKNGB-UHFFFAOYSA-N 0 0 455.578 4.851 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)OCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001458887090 1067187362 /nfs/dbraw/zinc/18/73/62/1067187362.db2.gz ASGWGSYKYIWSCY-UHFFFAOYSA-N 0 0 456.674 4.637 20 0 JJADRN CCn1c(SCCC(=O)Nc2cc(Cl)c(OC)cc2OC)nnc1-c1cccs1 ZINC001458888287 1067187386 /nfs/dbraw/zinc/18/73/86/1067187386.db2.gz NITGKUROUMEGTB-UHFFFAOYSA-N 0 0 452.989 4.818 20 0 JJADRN Cc1ccc(CC(C)(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001451718098 1067187589 /nfs/dbraw/zinc/18/75/89/1067187589.db2.gz CBJLIVKNNJFWKC-UHFFFAOYSA-N 0 0 454.567 4.994 20 0 JJADRN CCCc1c(C(=O)N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cnn1-c1cccc(C)c1 ZINC001451702987 1067187634 /nfs/dbraw/zinc/18/76/34/1067187634.db2.gz WFAYQTXVXRJIMW-UHFFFAOYSA-N 0 0 452.599 4.749 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001451700515 1067187649 /nfs/dbraw/zinc/18/76/49/1067187649.db2.gz MULFGDDGQOEGLF-MRXNPFEDSA-N 0 0 451.405 4.630 20 0 JJADRN CC(=O)c1cc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)on1 ZINC001458891160 1067187646 /nfs/dbraw/zinc/18/76/46/1067187646.db2.gz ZTKJJQXKIMOCNK-UHFFFAOYSA-N 0 0 456.325 4.575 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1Cc1cnc(C)s1 ZINC001545836168 1067188518 /nfs/dbraw/zinc/18/85/18/1067188518.db2.gz DLUZWTXTHIASNW-UHFFFAOYSA-N 0 0 480.560 4.665 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@H]1COCc2ccccc21 ZINC001451721379 1067188478 /nfs/dbraw/zinc/18/84/78/1067188478.db2.gz GLTBJUNPKHHCNX-IBGZPJMESA-N 0 0 457.596 4.567 20 0 JJADRN CCn1c(S[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nnc1-c1cccc(Cl)c1 ZINC001458893826 1067188523 /nfs/dbraw/zinc/18/85/23/1067188523.db2.gz MIWHKBMBNPBEFC-IBGZPJMESA-N 0 0 458.971 4.533 20 0 JJADRN Cc1cccc(-n2nnnc2SCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1C ZINC001458893689 1067188530 /nfs/dbraw/zinc/18/85/30/1067188530.db2.gz CLCNQKNDFRNAMH-UHFFFAOYSA-N 0 0 451.596 4.865 20 0 JJADRN COc1ccc(CCC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1Cl ZINC001458894764 1067188559 /nfs/dbraw/zinc/18/85/59/1067188559.db2.gz NJUVYEULERUVOS-UHFFFAOYSA-N 0 0 455.942 4.746 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(SC)cc3)CC2)no1 ZINC001458894890 1067188587 /nfs/dbraw/zinc/18/85/87/1067188587.db2.gz OBVGCQLQZDTLTC-INIZCTEOSA-N 0 0 453.564 4.641 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CCc1sc(C)nc1C ZINC001545836327 1067188872 /nfs/dbraw/zinc/18/88/72/1067188872.db2.gz JTDJEWGPGYGRSM-UHFFFAOYSA-N 0 0 475.062 4.802 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)COCCO2)C1 ZINC001546104554 1067188823 /nfs/dbraw/zinc/18/88/23/1067188823.db2.gz AZOFALXISUCYQW-NRFANRHFSA-N 0 0 481.410 4.669 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC001458895024 1067188886 /nfs/dbraw/zinc/18/88/86/1067188886.db2.gz OXOPTAJOWRMOLM-UHFFFAOYSA-N 0 0 457.477 4.642 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734090 1067189662 /nfs/dbraw/zinc/18/96/62/1067189662.db2.gz CPNIYNGXYMLXNP-DEOSSOPVSA-N 0 0 453.558 4.596 20 0 JJADRN CCCC[C@@H](CC)Cn1c(SC[C@@]2(C)NC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 ZINC001458897151 1067189675 /nfs/dbraw/zinc/18/96/75/1067189675.db2.gz ZGYUYPRUDKPYAP-SPLOXXLWSA-N 0 0 450.008 4.505 20 0 JJADRN COc1ccccc1-c1nc(C2CCN(C(=O)c3cn(CC(C)C)nc3C(F)F)CC2)no1 ZINC001458897235 1067189737 /nfs/dbraw/zinc/18/97/37/1067189737.db2.gz XAICPVVODMZIRY-UHFFFAOYSA-N 0 0 459.497 4.555 20 0 JJADRN CCCCCn1cnc2c1c(=O)n(Cc1c(Cl)ccc3cccnc31)c(=O)n2CCCC ZINC001458899649 1067190116 /nfs/dbraw/zinc/19/01/16/1067190116.db2.gz DXTCQJCEJYZBBF-UHFFFAOYSA-N 0 0 453.974 4.600 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001545836561 1067190135 /nfs/dbraw/zinc/19/01/35/1067190135.db2.gz RCBIBSHUXHBZMB-INIZCTEOSA-N 0 0 484.645 4.602 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001545836737 1067190141 /nfs/dbraw/zinc/19/01/41/1067190141.db2.gz XKPBOEWGOLGNLW-PZJWPPBQSA-N 0 0 470.637 4.571 20 0 JJADRN Cc1ccccc1-n1c(SCc2cccc(OC(F)(F)F)c2)nnc1N1CCOCC1 ZINC001458900509 1067190186 /nfs/dbraw/zinc/19/01/86/1067190186.db2.gz TWMRWYKRGAGEHM-UHFFFAOYSA-N 0 0 450.486 4.603 20 0 JJADRN Cc1cccc(-n2nnnc2SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1C ZINC001458899536 1067190234 /nfs/dbraw/zinc/19/02/34/1067190234.db2.gz QWRUMWNPYYSIPG-SFHVURJKSA-N 0 0 457.575 4.819 20 0 JJADRN CC1CCN(c2nnc(SCc3cscc3Br)n2C[C@H]2CCCO2)CC1 ZINC001458903308 1067190819 /nfs/dbraw/zinc/19/08/19/1067190819.db2.gz TXHQFNLSQMPNAA-OAHLLOKOSA-N 0 0 457.463 4.810 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001451741856 1067191019 /nfs/dbraw/zinc/19/10/19/1067191019.db2.gz OQOPOKPBVQPWAP-VURPSTOHSA-N 0 0 475.630 4.793 20 0 JJADRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001451743750 1067191407 /nfs/dbraw/zinc/19/14/07/1067191407.db2.gz ZFZRBMCYFFTSFO-WIYYLYMNSA-N 0 0 451.567 4.765 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001451743712 1067191459 /nfs/dbraw/zinc/19/14/59/1067191459.db2.gz XGVHIVFRHRLMCP-HHXXYDBFSA-N 0 0 453.421 4.922 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CSc3n[nH]c(C=Cc4ccccc4)n3)C2)CC1 ZINC001458904175 1067191367 /nfs/dbraw/zinc/19/13/67/1067191367.db2.gz RARGTAZZENXEJF-ZBTAVZRMSA-N 0 0 456.612 4.873 20 0 JJADRN CN(CCC1CCN(C(=O)Cc2cc(F)ccc2Br)CC1)C(=O)OC(C)(C)C ZINC001545838480 1067191932 /nfs/dbraw/zinc/19/19/32/1067191932.db2.gz PLAILTBXHBWIAN-UHFFFAOYSA-N 0 0 457.384 4.626 20 0 JJADRN Cc1ccc(C2(C(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)CCOCC2)cc1C ZINC001545838692 1067191976 /nfs/dbraw/zinc/19/19/76/1067191976.db2.gz ZXDKMCXQVMMBTR-UHFFFAOYSA-N 0 0 458.643 4.847 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001451798555 1067191969 /nfs/dbraw/zinc/19/19/69/1067191969.db2.gz JONJZJMSRAJMKK-WMZOPIPTSA-N 0 0 457.409 4.615 20 0 JJADRN CC(C)(CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C1(O)CCOCC1 ZINC001451796090 1067192140 /nfs/dbraw/zinc/19/21/40/1067192140.db2.gz VAFLPZXNZIPTCW-UHFFFAOYSA-N 0 0 457.567 4.917 20 0 JJADRN CN(CCC1CCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1)C(=O)OC(C)(C)C ZINC001545838685 1067192023 /nfs/dbraw/zinc/19/20/23/1067192023.db2.gz ZOBJAIUFDXKTTL-UHFFFAOYSA-N 0 0 452.599 4.803 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1ccc(C)cc1 ZINC001545838828 1067192143 /nfs/dbraw/zinc/19/21/43/1067192143.db2.gz FOLHXBZNJDWVNE-UHFFFAOYSA-N 0 0 494.587 4.859 20 0 JJADRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001451801620 1067192175 /nfs/dbraw/zinc/19/21/75/1067192175.db2.gz QMWLREKFRDBJNH-ZFJSRUIDSA-N 0 0 453.579 4.658 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cnccc3-c3ccccc3)cc2)cc1 ZINC001458906425 1067192549 /nfs/dbraw/zinc/19/25/49/1067192549.db2.gz JYPBUEUBQAYJBQ-UHFFFAOYSA-N 0 0 451.526 4.868 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nccc(C)n1 ZINC001451805702 1067192634 /nfs/dbraw/zinc/19/26/34/1067192634.db2.gz WJDLZRSVOSWJHC-XRHLQHRESA-N 0 0 458.562 4.670 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nccc(C)n1 ZINC001451805683 1067192698 /nfs/dbraw/zinc/19/26/98/1067192698.db2.gz WJDLZRSVOSWJHC-DNOBIOAJSA-N 0 0 458.562 4.670 20 0 JJADRN Cc1c(CC(=O)OCc2cc(Cl)c(Br)c(Cl)c2)nnn1-c1ccccc1 ZINC001458907226 1067192629 /nfs/dbraw/zinc/19/26/29/1067192629.db2.gz WGGOADNFCLSNMK-UHFFFAOYSA-N 0 0 455.139 4.931 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)cc1Br ZINC001458907999 1067193032 /nfs/dbraw/zinc/19/30/32/1067193032.db2.gz KXPPLKSRWKHHNW-NRFANRHFSA-N 0 0 450.760 4.883 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CCOCC2)n1CCc1csc2ccccc12 ZINC001545840355 1067193233 /nfs/dbraw/zinc/19/32/33/1067193233.db2.gz AYDUSRZOPCBWGO-UHFFFAOYSA-N 0 0 469.655 4.517 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1C[C@H]1CCCC1(C)C ZINC001545840423 1067193302 /nfs/dbraw/zinc/19/33/02/1067193302.db2.gz CICSQYSPCLNMNE-IFMALSPDSA-N 0 0 496.700 4.747 20 0 JJADRN C[C@@H](c1ccccc1)n1c(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)nnc1-c1ccccc1 ZINC001458909427 1067193646 /nfs/dbraw/zinc/19/36/46/1067193646.db2.gz FTFSJPZXDWRHRI-MOPGFXCFSA-N 0 0 450.608 4.672 20 0 JJADRN O=C(Nc1ccc(-n2cnnc2)cc1)c1cccnc1Oc1ccc(F)cc1Br ZINC001458908550 1067193683 /nfs/dbraw/zinc/19/36/83/1067193683.db2.gz ZMZURHGPDZDDNW-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CC2CCCC2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001545841128 1067193934 /nfs/dbraw/zinc/19/39/34/1067193934.db2.gz WGFCESOHOIOFDI-UHFFFAOYSA-N 0 0 454.594 4.686 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1Cc1ncccc1C ZINC001545840483 1067193990 /nfs/dbraw/zinc/19/39/90/1067193990.db2.gz DTXGJEIBFBGTSG-RCZVLFRGSA-N 0 0 490.652 4.552 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@@H](CO)CC1CCCCC1)c1ccccc1Br ZINC001451858582 1067194609 /nfs/dbraw/zinc/19/46/09/1067194609.db2.gz FYTZTCOENDVNNL-QGZVFWFLSA-N 0 0 459.384 4.763 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001545842114 1067195090 /nfs/dbraw/zinc/19/50/90/1067195090.db2.gz MCAZBKOJZDMCNQ-IBGZPJMESA-N 0 0 469.621 4.665 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001451861279 1067195160 /nfs/dbraw/zinc/19/51/60/1067195160.db2.gz UYQOVLSRWRQJLZ-DNVFCKCGSA-N 0 0 456.627 4.926 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC001451862051 1067195269 /nfs/dbraw/zinc/19/52/69/1067195269.db2.gz WOUNOPADZJJTIX-MTNOOBJLSA-N 0 0 451.007 4.947 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2c(C)[nH]c3ccc(Cl)cc32)C[C@H]1c1ccc(Br)cc1 ZINC001451872036 1067195344 /nfs/dbraw/zinc/19/53/44/1067195344.db2.gz CSRVCYMAUXBSKS-ZWKOTPCHSA-N 0 0 475.770 4.921 20 0 JJADRN COCCS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(C(C)C)cc3)CCCCC2)cc1 ZINC001458914020 1067195311 /nfs/dbraw/zinc/19/53/11/1067195311.db2.gz OGUKCRNLDXXDIL-UHFFFAOYSA-N 0 0 457.636 4.748 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1csc(-c2ccccc2OC)n1 ZINC001458914144 1067195358 /nfs/dbraw/zinc/19/53/58/1067195358.db2.gz UZAGPMLABADSKL-VWLOTQADSA-N 0 0 450.560 4.599 20 0 JJADRN CCC(CC)(C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C)C(=O)OC ZINC001458914850 1067195386 /nfs/dbraw/zinc/19/53/86/1067195386.db2.gz SSGLCYWKCOITGL-UHFFFAOYSA-N 0 0 452.580 4.587 20 0 JJADRN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nn2-c2ccccc2)cc1 ZINC001458913937 1067195469 /nfs/dbraw/zinc/19/54/69/1067195469.db2.gz RUDPHIDLVWQWSU-UHFFFAOYSA-N 0 0 450.564 4.832 20 0 JJADRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001545843540 1067195638 /nfs/dbraw/zinc/19/56/38/1067195638.db2.gz ZHXPMVACBAVKCK-NRFANRHFSA-N 0 0 455.352 4.796 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccnc(SC)c1 ZINC001545843664 1067195655 /nfs/dbraw/zinc/19/56/55/1067195655.db2.gz DNBJNQVTLXQUEC-KRWDZBQOSA-N 0 0 458.676 4.767 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001458916057 1067195867 /nfs/dbraw/zinc/19/58/67/1067195867.db2.gz YSSYLOVWHFTRAE-VWLOTQADSA-N 0 0 452.551 4.659 20 0 JJADRN O=Cc1ccc(OC(F)(F)C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1 ZINC001451877394 1067195978 /nfs/dbraw/zinc/19/59/78/1067195978.db2.gz PESBKMUSLIAQHZ-SFHVURJKSA-N 0 0 452.295 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCCC2)n1Cc1cccc2c1OCCCO2 ZINC001545844206 1067196213 /nfs/dbraw/zinc/19/62/13/1067196213.db2.gz WTCNQFLSHKOOPV-UHFFFAOYSA-N 0 0 469.630 4.565 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)C2CCCCC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001545844115 1067196281 /nfs/dbraw/zinc/19/62/81/1067196281.db2.gz SVULNPWSFCTRSH-UHFFFAOYSA-N 0 0 455.647 4.631 20 0 JJADRN CC(C)C[C@@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C(=O)OC(C)(C)C ZINC001451900929 1067196494 /nfs/dbraw/zinc/19/64/94/1067196494.db2.gz HNGHLRAUJBZUPW-HNNXBMFYSA-N 0 0 450.377 4.573 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2cccs2)n1Cc1c(F)cc(F)c(F)c1F ZINC001545845317 1067196812 /nfs/dbraw/zinc/19/68/12/1067196812.db2.gz CORPNCRPBNADIM-UHFFFAOYSA-N 0 0 483.535 4.889 20 0 JJADRN O=C(Nc1ccc(Cl)c(I)c1)c1cccc(Nc2cnccn2)c1 ZINC001451909901 1067197250 /nfs/dbraw/zinc/19/72/50/1067197250.db2.gz FWHIAQKHBWTHNF-UHFFFAOYSA-N 0 0 450.667 4.731 20 0 JJADRN Cc1cnn(Cc2cc(C(=O)NC3(c4ccc(C)cc4Br)CCCCC3)no2)c1 ZINC001451904859 1067197253 /nfs/dbraw/zinc/19/72/53/1067197253.db2.gz BRDHYOMEAYGSAW-UHFFFAOYSA-N 0 0 457.372 4.888 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N2CC[C@@H](C)C[C@H]2C)n1-c1ccccc1 ZINC001451911537 1067197863 /nfs/dbraw/zinc/19/78/63/1067197863.db2.gz OXUIPKMWEZXFCH-UYAOXDASSA-N 0 0 450.608 4.894 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)CC2CC2)n1Cc1c(C)sc(C)c1Br ZINC001545845791 1067197930 /nfs/dbraw/zinc/19/79/30/1067197930.db2.gz ROSKGHLDWIAUIY-UHFFFAOYSA-N 0 0 482.492 4.922 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC)Cc2ccc(Cl)s2)n1CC1CC(F)(F)C1 ZINC001545845816 1067197943 /nfs/dbraw/zinc/19/79/43/1067197943.db2.gz SVABOPPHHKPRFR-UHFFFAOYSA-N 0 0 459.994 4.983 20 0 JJADRN O=C(c1cc(Cl)nc(Cl)c1)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC001451915232 1067198069 /nfs/dbraw/zinc/19/80/69/1067198069.db2.gz CBZNOTNWYYLCJD-KRWDZBQOSA-N 0 0 452.139 4.662 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2ccc(CSc3nccn3C)o2)c1 ZINC001451915703 1067198226 /nfs/dbraw/zinc/19/82/26/1067198226.db2.gz JCCCLLAOPWFYHY-UHFFFAOYSA-N 0 0 456.568 4.891 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC001458921596 1067198423 /nfs/dbraw/zinc/19/84/23/1067198423.db2.gz RFOCKMKHZWMJOZ-UHFFFAOYSA-N 0 0 459.774 4.676 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2c(F)cccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001545846304 1067198729 /nfs/dbraw/zinc/19/87/29/1067198729.db2.gz JNGOVZIMIFGTHN-IBGZPJMESA-N 0 0 452.448 4.995 20 0 JJADRN CC(C)(C)N(Cc1cccc(F)c1)C(=O)COc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001458923689 1067198816 /nfs/dbraw/zinc/19/88/16/1067198816.db2.gz SLWNOZMOSCSCTJ-UHFFFAOYSA-N 0 0 455.551 4.865 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)c2ccccc2)C1 ZINC001546104773 1067198892 /nfs/dbraw/zinc/19/88/92/1067198892.db2.gz IUGVPOWSGJFUPI-BKMJKUGQSA-N 0 0 456.631 4.723 20 0 JJADRN C[C@H](SCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC001458925365 1067198904 /nfs/dbraw/zinc/19/89/04/1067198904.db2.gz XXVPEVJIXSRRLU-NSHDSACASA-N 0 0 451.463 4.561 20 0 JJADRN Cc1sc2nc(S[C@H]([C@H]3CCOC3)C(F)(F)F)n(Cc3ccccn3)c(=O)c2c1C ZINC001458925542 1067199153 /nfs/dbraw/zinc/19/91/53/1067199153.db2.gz VGDNDTJYQZLTRW-XJKSGUPXSA-N 0 0 455.527 4.578 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545847372 1067199292 /nfs/dbraw/zinc/19/92/92/1067199292.db2.gz QDYIQTVVCODOKC-UHFFFAOYSA-N 0 0 496.681 4.762 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001545847721 1067199325 /nfs/dbraw/zinc/19/93/25/1067199325.db2.gz YPABHJTZKXAJPY-UHFFFAOYSA-N 0 0 485.673 4.577 20 0 JJADRN O=C(Nc1ccc(COCCO)cc1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001451930083 1067199210 /nfs/dbraw/zinc/19/92/10/1067199210.db2.gz WJCOENMVVXIEBT-QFIPXVFZSA-N 0 0 456.336 4.717 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)Nc3cc(Cl)ccc3OC(F)F)cc21 ZINC001451930087 1067199470 /nfs/dbraw/zinc/19/94/70/1067199470.db2.gz TWSUDLLDBIZVRL-LBPRGKRZSA-N 0 0 456.877 4.750 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545848456 1067199986 /nfs/dbraw/zinc/19/99/86/1067199986.db2.gz BAQZEADNBLFLQZ-WIYYLYMNSA-N 0 0 450.631 4.854 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1c(F)cccc1F ZINC001451936890 1067200079 /nfs/dbraw/zinc/20/00/79/1067200079.db2.gz MXWDIKGTRKILGR-UHFFFAOYSA-N 0 0 458.258 4.571 20 0 JJADRN COC(=O)[C@@H](C)N(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCC1 ZINC001458930319 1067200502 /nfs/dbraw/zinc/20/05/02/1067200502.db2.gz NDFDSOMAHLSNIG-QGZVFWFLSA-N 0 0 451.954 4.678 20 0 JJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC001458930575 1067200546 /nfs/dbraw/zinc/20/05/46/1067200546.db2.gz KIMZINVDJMRLKK-PBHICJAKSA-N 0 0 453.589 4.912 20 0 JJADRN CCOC(=O)c1sc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)c(C(=O)OCC)c1C ZINC001458932581 1067201038 /nfs/dbraw/zinc/20/10/38/1067201038.db2.gz AKMPTTMXLXKCLF-ZDUSSCGKSA-N 0 0 453.557 4.982 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001545848800 1067201084 /nfs/dbraw/zinc/20/10/84/1067201084.db2.gz GMWGXZBOUCGXCH-ZWKOTPCHSA-N 0 0 459.610 4.676 20 0 JJADRN CC(C)[C@H](Sc1nncn1CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001458932783 1067201252 /nfs/dbraw/zinc/20/12/52/1067201252.db2.gz BNTDWACCMUJTDE-SFHVURJKSA-N 0 0 450.395 4.978 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001545848890 1067201666 /nfs/dbraw/zinc/20/16/66/1067201666.db2.gz HRBFNTKGUPFTTD-GASCZTMLSA-N 0 0 469.527 4.885 20 0 JJADRN O=C(NCc1ccc(CN2CCS(=O)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001451973434 1067201619 /nfs/dbraw/zinc/20/16/19/1067201619.db2.gz VXYLIPDHXIQAJK-UHFFFAOYSA-N 0 0 459.036 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545848903 1067201734 /nfs/dbraw/zinc/20/17/34/1067201734.db2.gz HUQINWGWNAWBDV-ROUUACIJSA-N 0 0 466.655 4.851 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2c2cccc(OC)c2)n1C[C@H](C)SC ZINC001545848985 1067202204 /nfs/dbraw/zinc/20/22/04/1067202204.db2.gz IOVQFYSHUOGDQX-WWMYMODYSA-N 0 0 459.660 4.544 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc(Br)c1F ZINC001458935865 1067202257 /nfs/dbraw/zinc/20/22/57/1067202257.db2.gz WDDANRUUFSOUFS-UHFFFAOYSA-N 0 0 456.136 4.924 20 0 JJADRN CCOC(=O)c1sc(NC(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)cc1C ZINC001458936816 1067202302 /nfs/dbraw/zinc/20/23/02/1067202302.db2.gz RPTVATUZDCMFDF-UHFFFAOYSA-N 0 0 453.351 4.746 20 0 JJADRN Clc1c2ccccc2sc1Cn1nnc(-c2ccccc2I)n1 ZINC001458936464 1067202395 /nfs/dbraw/zinc/20/23/95/1067202395.db2.gz MEJNYDXHTZECGT-UHFFFAOYSA-N 0 0 452.708 4.861 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001451988051 1067202463 /nfs/dbraw/zinc/20/24/63/1067202463.db2.gz IAMIPXIUDHXACZ-UUOWRZLLSA-N 0 0 459.587 4.933 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001545849189 1067202617 /nfs/dbraw/zinc/20/26/17/1067202617.db2.gz LMMFDCPQAZUERE-ADGBJGEGSA-N 0 0 467.658 4.847 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)n1CC1(CC)CCOCC1 ZINC001545849390 1067202688 /nfs/dbraw/zinc/20/26/88/1067202688.db2.gz ODIAJTWKQUJDQL-GBXCKJPGSA-N 0 0 497.684 4.999 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)C1 ZINC001546104979 1067203308 /nfs/dbraw/zinc/20/33/08/1067203308.db2.gz PUPMMMRHRVNQRZ-GOSISDBHSA-N 0 0 460.644 4.883 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001545849534 1067203658 /nfs/dbraw/zinc/20/36/58/1067203658.db2.gz PXKSBFQSACRTRI-CALCHBBNSA-N 0 0 460.692 4.676 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1CCc1ccc(Br)cc1 ZINC001545849533 1067203695 /nfs/dbraw/zinc/20/36/95/1067203695.db2.gz PVZBYAFQEWPUOD-IRXDYDNUSA-N 0 0 476.463 4.684 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001545849626 1067203752 /nfs/dbraw/zinc/20/37/52/1067203752.db2.gz RPNBYIXYYJACJY-QFBILLFUSA-N 0 0 489.064 4.812 20 0 JJADRN CCc1cccc(CC)c1-n1ccnc1S[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC001458941467 1067203908 /nfs/dbraw/zinc/20/39/08/1067203908.db2.gz JTYJHHKJOQCSES-JOCHJYFZSA-N 0 0 451.592 4.912 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545849796 1067204203 /nfs/dbraw/zinc/20/42/03/1067204203.db2.gz UXTCJZHNMPHLBW-DNVCBOLYSA-N 0 0 451.537 4.888 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H]2CC)n1Cc1ccc(C(F)(F)F)cc1 ZINC001545849797 1067204275 /nfs/dbraw/zinc/20/42/75/1067204275.db2.gz UXTCJZHNMPHLBW-HNAYVOBHSA-N 0 0 451.537 4.888 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2)s1)Nc1cccc(I)c1 ZINC001458945254 1067204212 /nfs/dbraw/zinc/20/42/12/1067204212.db2.gz FOFQJWSONPXMCN-UHFFFAOYSA-N 0 0 453.330 4.541 20 0 JJADRN CCc1cccc(CC)c1-n1ccnc1S[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC001458944270 1067204360 /nfs/dbraw/zinc/20/43/60/1067204360.db2.gz QANMTGNYQXCJGW-SFHVURJKSA-N 0 0 455.605 4.743 20 0 JJADRN COc1ccccc1S(=O)(=O)CCCSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC001458945401 1067204384 /nfs/dbraw/zinc/20/43/84/1067204384.db2.gz RIVSZASEVUFPBV-UHFFFAOYSA-N 0 0 456.511 4.856 20 0 JJADRN O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001452061109 1067205464 /nfs/dbraw/zinc/20/54/64/1067205464.db2.gz UBCHNLWSVFNAEW-UHFFFAOYSA-N 0 0 458.952 4.845 20 0 JJADRN Cc1nc(-c2cc(NC(=O)c3cc(F)c(Br)cc3N)cc(C(F)(F)F)c2)n[nH]1 ZINC001452060218 1067205504 /nfs/dbraw/zinc/20/55/04/1067205504.db2.gz CWNGCDLPXCICAR-UHFFFAOYSA-N 0 0 458.213 4.535 20 0 JJADRN CCN(C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)c1cccc(C(F)(F)F)c1 ZINC001452054254 1067205514 /nfs/dbraw/zinc/20/55/14/1067205514.db2.gz VGROSXQLIXNINF-UHFFFAOYSA-N 0 0 450.486 4.515 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC001452075472 1067205818 /nfs/dbraw/zinc/20/58/18/1067205818.db2.gz GFNYXBRIADMERJ-IIBYNOLFSA-N 0 0 456.999 4.636 20 0 JJADRN CCCCc1nc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c(C(=O)OCC)[nH]1 ZINC001458950473 1067205873 /nfs/dbraw/zinc/20/58/73/1067205873.db2.gz AOTQWKZJZGTDDN-GFCCVEGCSA-N 0 0 454.340 4.648 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1noc(C(F)(F)F)n1 ZINC001452061359 1067205996 /nfs/dbraw/zinc/20/59/96/1067205996.db2.gz GDECUUZOGDCUSD-SSDOTTSWSA-N 0 0 451.257 4.939 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cn3c(Br)cnc3s2)c1C ZINC001458949297 1067206024 /nfs/dbraw/zinc/20/60/24/1067206024.db2.gz WCSCQWHOUYMIRS-UHFFFAOYSA-N 0 0 450.749 4.867 20 0 JJADRN COc1ccccc1C1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC001452084287 1067206398 /nfs/dbraw/zinc/20/63/98/1067206398.db2.gz COQQCTUFSQZDSP-UHFFFAOYSA-N 0 0 450.560 4.532 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001546035647 1067206530 /nfs/dbraw/zinc/20/65/30/1067206530.db2.gz WFYGEABWWUQQDH-CEXWTWQISA-N 0 0 499.647 4.671 20 0 JJADRN CCc1sc(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1-c1ccccc1 ZINC001458951938 1067206953 /nfs/dbraw/zinc/20/69/53/1067206953.db2.gz WOCWMFFGCFFACO-HXUWFJFHSA-N 0 0 452.576 4.520 20 0 JJADRN COc1ccc(CCNC(=O)[C@@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)cc1OC ZINC001458952456 1067206968 /nfs/dbraw/zinc/20/69/68/1067206968.db2.gz VKJUNHREMCPWIE-QGZVFWFLSA-N 0 0 455.580 4.519 20 0 JJADRN Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC001458952658 1067206978 /nfs/dbraw/zinc/20/69/78/1067206978.db2.gz ASFRRECGEHOWHJ-OLZOCXBDSA-N 0 0 456.292 4.793 20 0 JJADRN CC[C@H](C)C[C@@H](CO)NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC001452094407 1067207010 /nfs/dbraw/zinc/20/70/10/1067207010.db2.gz HYAXAGGCVACXEY-KXBFYZLASA-N 0 0 450.373 4.564 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCNC(=O)c1nccc2c(Br)cccc21 ZINC001452093766 1067207195 /nfs/dbraw/zinc/20/71/95/1067207195.db2.gz MVTSIQFPIXQWAT-UHFFFAOYSA-N 0 0 450.377 4.812 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(C)COCCO2)C1 ZINC001546105080 1067207384 /nfs/dbraw/zinc/20/73/84/1067207384.db2.gz UDXKKBCQGTUWEF-JOCHJYFZSA-N 0 0 493.446 4.538 20 0 JJADRN Cc1c(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)nnn1-c1ccc(F)c(F)c1 ZINC001458955169 1067207864 /nfs/dbraw/zinc/20/78/64/1067207864.db2.gz HRAOCMVNPDOQEN-NSHDSACASA-N 0 0 455.292 4.700 20 0 JJADRN CCc1c(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001458955712 1067207926 /nfs/dbraw/zinc/20/79/26/1067207926.db2.gz QNEICPCTKUKDSS-HXUWFJFHSA-N 0 0 458.484 4.968 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1Cl ZINC001458954877 1067207963 /nfs/dbraw/zinc/20/79/63/1067207963.db2.gz SXTVXOKLPFKXJK-UHFFFAOYSA-N 0 0 453.869 4.758 20 0 JJADRN O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)N1CCC(c2ncco2)CC1 ZINC001452137731 1067208341 /nfs/dbraw/zinc/20/83/41/1067208341.db2.gz PAFIEXBWUHGYOW-UHFFFAOYSA-N 0 0 458.362 4.918 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)c2cccn3cc(C(F)(F)F)nc23)CC1 ZINC001452132453 1067208409 /nfs/dbraw/zinc/20/84/09/1067208409.db2.gz JKJCPHBGEMOOEW-UHFFFAOYSA-N 0 0 454.246 4.543 20 0 JJADRN CCc1ccc(CN(CC(C)C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)cc1 ZINC001452138919 1067208938 /nfs/dbraw/zinc/20/89/38/1067208938.db2.gz QRNIQPCVRKXOCL-UHFFFAOYSA-N 0 0 457.571 4.815 20 0 JJADRN CCCc1nc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1F ZINC001458958399 1067209066 /nfs/dbraw/zinc/20/90/66/1067209066.db2.gz ODJUJPXGDZXHBE-UHFFFAOYSA-N 0 0 450.436 4.529 20 0 JJADRN CC[C@@H](C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)N(C)C(=O)OC(C)(C)C ZINC001452145476 1067209517 /nfs/dbraw/zinc/20/95/17/1067209517.db2.gz BJYRVCPJLVLNRO-LBPRGKRZSA-N 0 0 455.378 4.552 20 0 JJADRN C[C@H]1CC2(CN1C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)CCOCC2 ZINC001452153983 1067210474 /nfs/dbraw/zinc/21/04/74/1067210474.db2.gz USWIDNXAKYMXKZ-INIZCTEOSA-N 0 0 457.368 4.733 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001458963616 1067210499 /nfs/dbraw/zinc/21/04/99/1067210499.db2.gz ALHPPZOPVDLOGW-OAHLLOKOSA-N 0 0 458.407 4.889 20 0 JJADRN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001458963794 1067210605 /nfs/dbraw/zinc/21/06/05/1067210605.db2.gz XNDIUKDEQOTOQW-QWHCGFSZSA-N 0 0 457.304 4.550 20 0 JJADRN O=C(Nc1cnc(-c2ccc(Br)s2)nc1)[C@H](O)c1ccccc1C(F)(F)F ZINC001452152361 1067210569 /nfs/dbraw/zinc/21/05/69/1067210569.db2.gz RDPCWPWQWHAMNK-CQSZACIVSA-N 0 0 458.259 4.659 20 0 JJADRN Cn1ccnc1SCc1ccc(C(=O)N[C@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)o1 ZINC001452154732 1067211083 /nfs/dbraw/zinc/21/10/83/1067211083.db2.gz UWVFBFAJUVFWSQ-QGZVFWFLSA-N 0 0 452.433 4.959 20 0 JJADRN C[C@H](CN(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC001458963816 1067211061 /nfs/dbraw/zinc/21/10/61/1067211061.db2.gz XSRZQXJOGYYXQZ-LLVKDONJSA-N 0 0 450.288 4.623 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC001452161750 1067211630 /nfs/dbraw/zinc/21/16/30/1067211630.db2.gz FVSDBEYUMOFPLD-QFIPXVFZSA-N 0 0 453.583 4.885 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452172720 1067212078 /nfs/dbraw/zinc/21/20/78/1067212078.db2.gz AQSFJTNZVDROKQ-OAHLLOKOSA-N 0 0 453.791 4.579 20 0 JJADRN CCCN(C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)[C@H](COC)C(=O)OCC ZINC001458966826 1067212437 /nfs/dbraw/zinc/21/24/37/1067212437.db2.gz REWRDXGCGWSRLI-MRXNPFEDSA-N 0 0 459.486 4.744 20 0 JJADRN CCCN(C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)[C@@H](COC)C(=O)OCC ZINC001458966824 1067212652 /nfs/dbraw/zinc/21/26/52/1067212652.db2.gz REWRDXGCGWSRLI-INIZCTEOSA-N 0 0 459.486 4.744 20 0 JJADRN CC(C)(C)OC(=O)CCCNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001452195832 1067213761 /nfs/dbraw/zinc/21/37/61/1067213761.db2.gz QYDKOFGYURBZJB-UHFFFAOYSA-N 0 0 451.386 4.847 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001452226577 1067214719 /nfs/dbraw/zinc/21/47/19/1067214719.db2.gz IDOABNXHKHSWGS-ZWKOTPCHSA-N 0 0 456.587 4.601 20 0 JJADRN COC(=O)[C@H](Sc1nnc(-c2ccccn2)n1Cc1ccco1)c1c(F)cccc1Cl ZINC001458976023 1067214857 /nfs/dbraw/zinc/21/48/57/1067214857.db2.gz FHGKKYYACJNZLK-GOSISDBHSA-N 0 0 458.902 4.780 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452232035 1067215202 /nfs/dbraw/zinc/21/52/02/1067215202.db2.gz FSBUAEXIOCPWCW-KBXCAEBGSA-N 0 0 451.489 4.639 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(C3CC3)s1)C[C@H](C)CC2 ZINC001458976834 1067215216 /nfs/dbraw/zinc/21/52/16/1067215216.db2.gz BVIOENIYNUMVLC-MNOVXSKESA-N 0 0 451.639 4.898 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ncc(-c3ccc(F)cc3)s2)C1 ZINC001458976448 1067215228 /nfs/dbraw/zinc/21/52/28/1067215228.db2.gz YFSABQSRPNACOJ-SFHVURJKSA-N 0 0 453.539 4.595 20 0 JJADRN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nccs3)nnc2-c2ccc(C)cc2)cc1 ZINC001458976631 1067215336 /nfs/dbraw/zinc/21/53/36/1067215336.db2.gz GUFQYSHIWZNOHS-HNNXBMFYSA-N 0 0 451.577 4.827 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2OC)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001546037080 1067215728 /nfs/dbraw/zinc/21/57/28/1067215728.db2.gz SJYCGEGYTXYCSG-UHFFFAOYSA-N 0 0 484.685 4.993 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001546037095 1067215859 /nfs/dbraw/zinc/21/58/59/1067215859.db2.gz SYDIXBPCJNPEPY-UHFFFAOYSA-N 0 0 471.524 4.671 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Oc1cc(F)cc(I)c1 ZINC001458979819 1067216654 /nfs/dbraw/zinc/21/66/54/1067216654.db2.gz HIQAHGFMSWVXRY-UHFFFAOYSA-N 0 0 456.642 4.703 20 0 JJADRN COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001458980130 1067216739 /nfs/dbraw/zinc/21/67/39/1067216739.db2.gz XPUKGMCGUALUSH-SFTDATJTSA-N 0 0 452.636 4.726 20 0 JJADRN CCCC[C@](C)(CO)NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001452259368 1067216685 /nfs/dbraw/zinc/21/66/85/1067216685.db2.gz VNHKSKOUWUFDIV-HXUWFJFHSA-N 0 0 452.502 4.686 20 0 JJADRN Cc1cc(C)c(C(=O)Cn2cnc3c(cnn3Cc3ccc(Cl)cc3Cl)c2=O)cc1C ZINC001458981687 1067217136 /nfs/dbraw/zinc/21/71/36/1067217136.db2.gz MJLLMJJCQPJGBH-UHFFFAOYSA-N 0 0 455.345 4.756 20 0 JJADRN O=C(N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc2ccccc2c1O ZINC001452266323 1067217361 /nfs/dbraw/zinc/21/73/61/1067217361.db2.gz LIKNMUGBPZWVDU-RUZDIDTESA-N 0 0 455.510 4.604 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cccn3cc(C(F)(F)F)nc23)C[C@H]1c1ccccc1 ZINC001452272974 1067217725 /nfs/dbraw/zinc/21/77/25/1067217725.db2.gz RTDQQXRUUSFUKK-ZWKOTPCHSA-N 0 0 459.468 4.551 20 0 JJADRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NOCc2ccc(C(F)(F)F)cc2)cc1OC ZINC001546037414 1067217741 /nfs/dbraw/zinc/21/77/41/1067217741.db2.gz DDOZGOBPFXDZFC-UHFFFAOYSA-N 0 0 454.445 4.569 20 0 JJADRN Cc1sc(-n2cccc2)c(C(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1C ZINC001452274308 1067217821 /nfs/dbraw/zinc/21/78/21/1067217821.db2.gz HQWPFGUFKQWQDA-HXUWFJFHSA-N 0 0 453.583 4.853 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452272916 1067217900 /nfs/dbraw/zinc/21/79/00/1067217900.db2.gz QBOHYYIBPMINNS-KJJMTIBFSA-N 0 0 472.626 4.654 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452276013 1067218228 /nfs/dbraw/zinc/21/82/28/1067218228.db2.gz XXSHORHWQKJRBH-LOSJGSFVSA-N 0 0 459.590 4.616 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCOCC2)C[C@H]1c1ccccc1 ZINC001452277806 1067218311 /nfs/dbraw/zinc/21/83/11/1067218311.db2.gz ZCMRTWMYYGYMQS-BJKOFHAPSA-N 0 0 467.581 4.749 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2=CCCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC001452282204 1067218411 /nfs/dbraw/zinc/21/84/11/1067218411.db2.gz RYBUPPRWHPMTRB-FCHUYYIVSA-N 0 0 470.610 4.528 20 0 JJADRN O=C(/C=C/c1csc(C(F)(F)F)c1)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285675 1067218895 /nfs/dbraw/zinc/21/88/95/1067218895.db2.gz DYNKNJLFGLPIQS-WHWKNOJMSA-N 0 0 454.489 4.864 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001546104892 1067219139 /nfs/dbraw/zinc/21/91/39/1067219139.db2.gz MOXBHBAGUCHUFM-NRFANRHFSA-N 0 0 472.630 4.803 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001452308664 1067219310 /nfs/dbraw/zinc/21/93/10/1067219310.db2.gz ROWPYRZAPJEKFE-ZDUSSCGKSA-N 0 0 452.857 4.593 20 0 JJADRN CCn1c(SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccccn1 ZINC001458986232 1067220089 /nfs/dbraw/zinc/22/00/89/1067220089.db2.gz RSVBOWNFIWUABY-QGZVFWFLSA-N 0 0 457.575 4.900 20 0 JJADRN CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC001452335987 1067220276 /nfs/dbraw/zinc/22/02/76/1067220276.db2.gz XDFNRVQJFIAFSC-PKTZIBPZSA-N 0 0 453.579 4.524 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n[nH]2)c1 ZINC001452334855 1067220319 /nfs/dbraw/zinc/22/03/19/1067220319.db2.gz ZOZUAEWUZCMCKD-SFHVURJKSA-N 0 0 452.580 4.509 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC001458987306 1067220632 /nfs/dbraw/zinc/22/06/32/1067220632.db2.gz CDGNXLJLHXGZSH-SFHVURJKSA-N 0 0 459.633 4.853 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)[C@@H](C)Oc2cccc(Br)c2)c1 ZINC001458987009 1067220698 /nfs/dbraw/zinc/22/06/98/1067220698.db2.gz AFIJLDJJCWXVHP-GFCCVEGCSA-N 0 0 457.162 4.646 20 0 JJADRN O=C(Cn1nc(Br)c(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC001458991392 1067222079 /nfs/dbraw/zinc/22/20/79/1067222079.db2.gz AHBHRIBZRMBBRA-UHFFFAOYSA-N 0 0 450.292 4.590 20 0 JJADRN COc1cccc(-c2nnc(SCc3cc(Cl)ccc3OCc3cccnc3)n2N)c1 ZINC001458990570 1067222089 /nfs/dbraw/zinc/22/20/89/1067222089.db2.gz SKPPJJSXRXFWLD-UHFFFAOYSA-N 0 0 453.955 4.587 20 0 JJADRN Cc1noc(C)c1[C@H](C)C(=O)OCc1ccc(I)c(C(F)(F)F)c1 ZINC001458991133 1067222118 /nfs/dbraw/zinc/22/21/18/1067222118.db2.gz UPDUVIWBXQQNBU-QMMMGPOBSA-N 0 0 453.198 4.762 20 0 JJADRN COc1ccc(Br)c(CN(C)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c1 ZINC001458990298 1067222139 /nfs/dbraw/zinc/22/21/39/1067222139.db2.gz PKHCXXNIKTZYOO-UHFFFAOYSA-N 0 0 453.336 4.727 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001452414376 1067222472 /nfs/dbraw/zinc/22/24/72/1067222472.db2.gz CWCZEGZYJUZVNY-YADHBBJMSA-N 0 0 454.567 4.768 20 0 JJADRN C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC001452415328 1067222902 /nfs/dbraw/zinc/22/29/02/1067222902.db2.gz SDHSCSMQQCMUKB-INIZCTEOSA-N 0 0 458.630 4.615 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)c(Br)c3)c2)o1 ZINC001458993553 1067222869 /nfs/dbraw/zinc/22/28/69/1067222869.db2.gz DPHYQNKDVTXLBP-UHFFFAOYSA-N 0 0 456.218 4.917 20 0 JJADRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC001458994033 1067222983 /nfs/dbraw/zinc/22/29/83/1067222983.db2.gz KARNEFBEHQATLQ-FQEVSTJZSA-N 0 0 456.999 4.816 20 0 JJADRN O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001452425878 1067223196 /nfs/dbraw/zinc/22/31/96/1067223196.db2.gz AZYWBURVNBXVST-IBGZPJMESA-N 0 0 459.315 4.877 20 0 JJADRN CO[C@H](C(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1)c1ccccc1C(F)(F)F ZINC001452429132 1067223334 /nfs/dbraw/zinc/22/33/34/1067223334.db2.gz JHIXEQOHEATTDK-NRFANRHFSA-N 0 0 455.440 4.667 20 0 JJADRN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1c[nH]nc1Br ZINC001452436847 1067223753 /nfs/dbraw/zinc/22/37/53/1067223753.db2.gz REGJUCDHTOEQDZ-UHFFFAOYSA-N 0 0 456.163 4.927 20 0 JJADRN CCc1c(NC(=O)c2cc3sc(N(CC)CC)nc3s2)nnn1Cc1ccc(F)cc1 ZINC001458995581 1067223857 /nfs/dbraw/zinc/22/38/57/1067223857.db2.gz CMVBBPMBVFFYGA-UHFFFAOYSA-N 0 0 458.588 4.798 20 0 JJADRN CCN(C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)C1CCCCC1 ZINC001458996641 1067224400 /nfs/dbraw/zinc/22/44/00/1067224400.db2.gz GAUFGWKXRBELEM-UHFFFAOYSA-N 0 0 451.596 4.611 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](O)[C@H]3CCc3ccccc3)s2)c(F)c1 ZINC001452445207 1067224331 /nfs/dbraw/zinc/22/43/31/1067224331.db2.gz UHGZOWAARKDALA-FGZHOGPDSA-N 0 0 454.567 4.865 20 0 JJADRN Cc1cccc(CC(=O)Nc2cc(-c3ccn(Cc4ccccc4)n3)n[nH]2)c1Br ZINC001452440195 1067224371 /nfs/dbraw/zinc/22/43/71/1067224371.db2.gz YKPOAMVMMGUKHM-UHFFFAOYSA-N 0 0 450.340 4.574 20 0 JJADRN C[C@@H](Sc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1)C(=O)Nc1ncccn1 ZINC001458997818 1067224717 /nfs/dbraw/zinc/22/47/17/1067224717.db2.gz IBYCIABIEUVMNW-CYBMUJFWSA-N 0 0 454.918 4.636 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC001546038775 1067224843 /nfs/dbraw/zinc/22/48/43/1067224843.db2.gz YYYLALYPSHSTDD-UHFFFAOYSA-N 0 0 454.640 4.874 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C[C@H]1c1ccc(O)cc1 ZINC001452461751 1067225752 /nfs/dbraw/zinc/22/57/52/1067225752.db2.gz KDHIYZKHPVQTCP-ZWKOTPCHSA-N 0 0 459.420 4.700 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1)NCc1ccccn1 ZINC001458999891 1067225851 /nfs/dbraw/zinc/22/58/51/1067225851.db2.gz MAZVBBCHPSFCSY-UHFFFAOYSA-N 0 0 453.930 4.530 20 0 JJADRN O=C(NC[C@@H]1CCc2cccnc21)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC001452477468 1067226257 /nfs/dbraw/zinc/22/62/57/1067226257.db2.gz FVYKUVARWUQCNY-JTSKRJEESA-N 0 0 455.327 4.950 20 0 JJADRN CC(C)[C@H](CNC(=O)c1ccccc1SCc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC001452474929 1067226348 /nfs/dbraw/zinc/22/63/48/1067226348.db2.gz IOQQODYOQHERJC-FQEVSTJZSA-N 0 0 453.608 4.970 20 0 JJADRN COc1ccc2cc(CN(C)C(=O)COc3cc(Br)ccc3C(C)=O)ccc2c1 ZINC001459000629 1067226326 /nfs/dbraw/zinc/22/63/26/1067226326.db2.gz PHDFWPCNVUDXEU-UHFFFAOYSA-N 0 0 456.336 4.851 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001452488772 1067227278 /nfs/dbraw/zinc/22/72/78/1067227278.db2.gz UGQJVWZUEPRQGT-QGZVFWFLSA-N 0 0 453.539 4.904 20 0 JJADRN O=Cc1cccc(OCc2ccccc2C(=O)NCCCc2nc(-c3ccccn3)cs2)c1 ZINC001452489629 1067227823 /nfs/dbraw/zinc/22/78/23/1067227823.db2.gz DCFUGWQTMRFJSL-UHFFFAOYSA-N 0 0 457.555 4.959 20 0 JJADRN C[C@H](Sc1nnnn1-c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001459008960 1067228119 /nfs/dbraw/zinc/22/81/19/1067228119.db2.gz JMPHRQHSNQIWGL-ZDUSSCGKSA-N 0 0 454.353 4.697 20 0 JJADRN CCC1(CC)CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CC1 ZINC001459009286 1067228145 /nfs/dbraw/zinc/22/81/45/1067228145.db2.gz XGRVVVPHBACXOA-UHFFFAOYSA-N 0 0 458.624 4.953 20 0 JJADRN O=C(Cn1cnc2cc(F)c(Br)cc2c1=O)N(c1ccccc1)C1CCCCC1 ZINC001459010120 1067228152 /nfs/dbraw/zinc/22/81/52/1067228152.db2.gz MQHBOSDZTWRMKJ-UHFFFAOYSA-N 0 0 458.331 4.664 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452496865 1067228705 /nfs/dbraw/zinc/22/87/05/1067228705.db2.gz PWUMGNDXZMBPQA-INIZCTEOSA-N 0 0 455.605 4.611 20 0 JJADRN COc1cc(OC)cc(N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 ZINC001459010801 1067228820 /nfs/dbraw/zinc/22/88/20/1067228820.db2.gz UNOYNPHVOPRYHN-XUZZJYLKSA-N 0 0 450.560 4.831 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)O[C@H]1CCOC1 ZINC001452498036 1067229106 /nfs/dbraw/zinc/22/91/06/1067229106.db2.gz JELAFAJVBZIXDU-BFMBIBTESA-N 0 0 457.998 4.973 20 0 JJADRN CC(C)C[C@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)O[C@@H]1CCOC1 ZINC001452498041 1067229123 /nfs/dbraw/zinc/22/91/23/1067229123.db2.gz JELAFAJVBZIXDU-CYSDGLOUSA-N 0 0 457.998 4.973 20 0 JJADRN COc1ccc(C)cc1[C@H](C)OC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC001459014815 1067229138 /nfs/dbraw/zinc/22/91/38/1067229138.db2.gz NPTCFOBRYKHYLQ-AWEZNQCLSA-N 0 0 455.370 4.623 20 0 JJADRN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2c(Br)cnn2C)cc1 ZINC001459014724 1067229160 /nfs/dbraw/zinc/22/91/60/1067229160.db2.gz NGKQWVBROXXKRI-UHFFFAOYSA-N 0 0 452.308 4.649 20 0 JJADRN CC(C)Oc1cccc([C@H](C)OC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC001459017313 1067229624 /nfs/dbraw/zinc/22/96/24/1067229624.db2.gz ZEQLHOSBCZHYSL-FQEVSTJZSA-N 0 0 459.608 4.885 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC001459019282 1067230202 /nfs/dbraw/zinc/23/02/02/1067230202.db2.gz AIXWSYFKMNXJBF-MRXNPFEDSA-N 0 0 458.358 4.782 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC001459018732 1067230311 /nfs/dbraw/zinc/23/03/11/1067230311.db2.gz OWIMDHAWVODBFS-UHFFFAOYSA-N 0 0 451.448 4.951 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)c1ccc(I)cc1F ZINC001459023787 1067230685 /nfs/dbraw/zinc/23/06/85/1067230685.db2.gz HYQRNIKWTDETBY-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC=CCC1 ZINC001452523706 1067231593 /nfs/dbraw/zinc/23/15/93/1067231593.db2.gz VYTHMRGPDIQBBA-LJQANCHMSA-N 0 0 452.374 4.907 20 0 JJADRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001452527948 1067231606 /nfs/dbraw/zinc/23/16/06/1067231606.db2.gz QIIXXXXEAQMWLF-BHIFYINESA-N 0 0 452.492 4.643 20 0 JJADRN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC001452525349 1067231657 /nfs/dbraw/zinc/23/16/57/1067231657.db2.gz KMGUZMYNPGHWLS-HNNXBMFYSA-N 0 0 459.543 4.824 20 0 JJADRN COC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001452524008 1067231696 /nfs/dbraw/zinc/23/16/96/1067231696.db2.gz HUMBMSKFMDCMSL-UHFFFAOYSA-N 0 0 450.442 4.956 20 0 JJADRN COC(=O)c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(Br)c1 ZINC001459027092 1067231824 /nfs/dbraw/zinc/23/18/24/1067231824.db2.gz RRRWNZWUAGGFGY-CYBMUJFWSA-N 0 0 455.352 4.772 20 0 JJADRN Nc1nccnc1SCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC001459029353 1067232618 /nfs/dbraw/zinc/23/26/18/1067232618.db2.gz KDXCLLRLHOCMKQ-UHFFFAOYSA-N 0 0 451.552 4.647 20 0 JJADRN CCC1(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CCN(C(=O)c2ccccc2)CC1 ZINC001459029218 1067232646 /nfs/dbraw/zinc/23/26/46/1067232646.db2.gz ZCOGIJQDOIXAKL-UHFFFAOYSA-N 0 0 451.998 4.823 20 0 JJADRN O=C(NCc1nc2ccc(Br)cc2o1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001452551522 1067233713 /nfs/dbraw/zinc/23/37/13/1067233713.db2.gz GAZOTJGRLXVIEY-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN Cc1c[nH]c(-c2ccc(NC(=O)c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)o3)cc2)n1 ZINC001452559766 1067234266 /nfs/dbraw/zinc/23/42/66/1067234266.db2.gz CTZWNNFIJXJIMR-UHFFFAOYSA-N 0 0 451.527 4.740 20 0 JJADRN Cc1c(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)nnn1-c1cccc2cnccc21 ZINC001459032078 1067234408 /nfs/dbraw/zinc/23/44/08/1067234408.db2.gz IDCXULJUDQPRFM-UHFFFAOYSA-N 0 0 453.468 4.894 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1cc3ccccc3s1)C2=O ZINC001459033305 1067234866 /nfs/dbraw/zinc/23/48/66/1067234866.db2.gz LZIGTJVSMQLXNU-KVZXNSMXSA-N 0 0 455.624 4.996 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Sc1nccn1-c1ccc(N(C)C)cc1 ZINC001459033461 1067234943 /nfs/dbraw/zinc/23/49/43/1067234943.db2.gz PKJNGAGVOCSJCW-OAHLLOKOSA-N 0 0 458.609 4.604 20 0 JJADRN CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2cc(F)c(Br)cc2Cl)cc1 ZINC001459036548 1067235802 /nfs/dbraw/zinc/23/58/02/1067235802.db2.gz BNFYQAIVPJBVME-LBPRGKRZSA-N 0 0 456.739 4.961 20 0 JJADRN COc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc(Br)c1OC ZINC001459035735 1067235813 /nfs/dbraw/zinc/23/58/13/1067235813.db2.gz OXPTXYAEDWQHCL-SGTLLEGYSA-N 0 0 454.748 4.722 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1cc2n(n1)CCCC2 ZINC001452602439 1067236159 /nfs/dbraw/zinc/23/61/59/1067236159.db2.gz RAHVYTWORGINGF-LLVKDONJSA-N 0 0 451.415 4.587 20 0 JJADRN CC[C@]1(C)CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC001459041033 1067236731 /nfs/dbraw/zinc/23/67/31/1067236731.db2.gz CWIHGQLRKUYHSO-HXUWFJFHSA-N 0 0 450.486 4.656 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC001452612986 1067236925 /nfs/dbraw/zinc/23/69/25/1067236925.db2.gz JSGJVUJYBLJZKY-RBUKOAKNSA-N 0 0 469.887 4.931 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)n[nH]2)s1 ZINC001452607416 1067236948 /nfs/dbraw/zinc/23/69/48/1067236948.db2.gz UNRXOTCDXSGZEA-SANMLTNESA-N 0 0 452.399 4.736 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2c(=O)sc3ccccc3c2=O)cc1 ZINC001459041205 1067237365 /nfs/dbraw/zinc/23/73/65/1067237365.db2.gz OEGMPGOKHJYISA-UHFFFAOYSA-N 0 0 452.919 4.816 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)OC)C3)cs2)cc1 ZINC001452614237 1067237293 /nfs/dbraw/zinc/23/72/93/1067237293.db2.gz UMYMKYRYZNBSJT-VQTJNVASSA-N 0 0 470.978 4.891 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001452614381 1067237407 /nfs/dbraw/zinc/23/74/07/1067237407.db2.gz WOUYPSCKOVXMQK-BJKOFHAPSA-N 0 0 476.960 4.645 20 0 JJADRN CC(=O)c1ccc(C(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)s1 ZINC001459043786 1067237742 /nfs/dbraw/zinc/23/77/42/1067237742.db2.gz DTUNFPKEOBLSLG-HNNXBMFYSA-N 0 0 452.370 4.543 20 0 JJADRN CC[C@]1(C)CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCO1 ZINC001459045326 1067237807 /nfs/dbraw/zinc/23/78/07/1067237807.db2.gz OVDXSWAOWRJJKD-HSZRJFAPSA-N 0 0 456.999 4.707 20 0 JJADRN CCCCC1CCC(c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)n[nH]2)CC1 ZINC001452622370 1067238270 /nfs/dbraw/zinc/23/82/70/1067238270.db2.gz PHXBFAANDDNGSR-OBFZPWGMSA-N 0 0 458.628 4.666 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC001459047789 1067238779 /nfs/dbraw/zinc/23/87/79/1067238779.db2.gz GNJMUFNKZKZPFQ-UHFFFAOYSA-N 0 0 454.489 4.673 20 0 JJADRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)c1ccc(Br)s1 ZINC001459047657 1067238827 /nfs/dbraw/zinc/23/88/27/1067238827.db2.gz FNNKMSAPDYZOST-UHFFFAOYSA-N 0 0 450.251 4.699 20 0 JJADRN CC[C@@H](CC(F)(F)F)C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001459050248 1067239356 /nfs/dbraw/zinc/23/93/56/1067239356.db2.gz VYMNOGIBIGMMSR-ZFWWWQNUSA-N 0 0 452.311 4.944 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)O[C@@H](Cc3ccc(F)cc3)C(F)(F)F)no2)c1 ZINC001459051122 1067239620 /nfs/dbraw/zinc/23/96/20/1067239620.db2.gz NBAASVAZMNDCOF-FQEVSTJZSA-N 0 0 451.372 4.926 20 0 JJADRN O=c1oc2cc(Br)c(F)cc2n1Cc1cc(Br)cc2cccnc21 ZINC001459051191 1067239711 /nfs/dbraw/zinc/23/97/11/1067239711.db2.gz HOWWCJAXUDJSOT-UHFFFAOYSA-N 0 0 452.077 4.855 20 0 JJADRN C[C@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)OCc1ccccc1 ZINC001452645464 1067239754 /nfs/dbraw/zinc/23/97/54/1067239754.db2.gz XJOPIBNFZXOOIU-RXVVDRJESA-N 0 0 454.567 4.527 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F ZINC001459054291 1067240063 /nfs/dbraw/zinc/24/00/63/1067240063.db2.gz URDKYCZWZORQIS-SJKOYZFVSA-N 0 0 454.445 4.813 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)NC(C)=O ZINC001452650725 1067240305 /nfs/dbraw/zinc/24/03/05/1067240305.db2.gz CTWPDAMTVYEVOS-DEOSSOPVSA-N 0 0 458.549 4.802 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001459058033 1067240995 /nfs/dbraw/zinc/24/09/95/1067240995.db2.gz IUPXBDZOXPXLJG-AREMUKBSSA-N 0 0 458.599 4.707 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC001459058641 1067241363 /nfs/dbraw/zinc/24/13/63/1067241363.db2.gz GVYBHRXAMYQLKA-JOCHJYFZSA-N 0 0 451.592 4.562 20 0 JJADRN CCc1csc(CC2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC2)n1 ZINC001452656342 1067241495 /nfs/dbraw/zinc/24/14/95/1067241495.db2.gz MSWZTGPENAGSIA-UHFFFAOYSA-N 0 0 459.413 4.749 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001452659577 1067241844 /nfs/dbraw/zinc/24/18/44/1067241844.db2.gz QVQABOAPTLNNNR-AWEZNQCLSA-N 0 0 458.331 4.705 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001546106141 1067241849 /nfs/dbraw/zinc/24/18/49/1067241849.db2.gz KNRQWOWIBQHCSF-UHFFFAOYSA-N 0 0 487.645 4.846 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N2CCC(Cc3nc(CC)cs3)CC2)CC[C@@H]1c1ccc(C)o1 ZINC001452657909 1067241920 /nfs/dbraw/zinc/24/19/20/1067241920.db2.gz PJEJUKQNAJTVMA-WOJBJXKFSA-N 0 0 459.612 4.750 20 0 JJADRN COC(=O)/C=C\c1ccc(OC)c(OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 ZINC001459063275 1067242388 /nfs/dbraw/zinc/24/23/88/1067242388.db2.gz JUEREADTDALGPJ-WQLSENKSSA-N 0 0 452.532 4.910 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@H]3CC3CCCC3)ccc2Cl)C1 ZINC001452663554 1067242387 /nfs/dbraw/zinc/24/23/87/1067242387.db2.gz GKOXEGZBPILPGA-XLIONFOSSA-N 0 0 453.048 4.946 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 ZINC001546106186 1067242473 /nfs/dbraw/zinc/24/24/73/1067242473.db2.gz MDIYGINODODQDY-UHFFFAOYSA-N 0 0 490.048 4.909 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 ZINC001459065557 1067242820 /nfs/dbraw/zinc/24/28/20/1067242820.db2.gz DDGCHTUTRGQDQS-UHFFFAOYSA-N 0 0 450.988 4.802 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC001459065530 1067242877 /nfs/dbraw/zinc/24/28/77/1067242877.db2.gz CWAGKIHGASZPEV-GOSISDBHSA-N 0 0 457.470 4.506 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452680951 1067242932 /nfs/dbraw/zinc/24/29/32/1067242932.db2.gz KJEYAVAZZZGZOC-IPKGGZNWSA-N 0 0 456.627 4.806 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC[C@@H]3CC3(Cl)Cl)c2)c1 ZINC001452686190 1067243283 /nfs/dbraw/zinc/24/32/83/1067243283.db2.gz AVWVQDMLVSBLBE-QGZVFWFLSA-N 0 0 455.407 4.808 20 0 JJADRN O=C(Nc1cc(F)ccc1C(=O)N1CC[C@]2(CC2(F)F)C1)c1cccc(Br)c1 ZINC001452686120 1067243313 /nfs/dbraw/zinc/24/33/13/1067243313.db2.gz ANULAVPUBMWSBC-IBGZPJMESA-N 0 0 453.258 4.712 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cn2)c(C)c1 ZINC001459068868 1067243409 /nfs/dbraw/zinc/24/34/09/1067243409.db2.gz AKQYMXQWNVWERQ-UHFFFAOYSA-N 0 0 457.983 4.868 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1 ZINC001452685246 1067243387 /nfs/dbraw/zinc/24/33/87/1067243387.db2.gz QXDLCXPQTBNCHH-LLUDDFSJSA-N 0 0 451.007 4.897 20 0 JJADRN O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001452686705 1067243428 /nfs/dbraw/zinc/24/34/28/1067243428.db2.gz JYRAMLRHGNCEOP-CQSZACIVSA-N 0 0 450.457 4.703 20 0 JJADRN Nc1nc(CSc2cc(Cl)c(N)cc2Br)nc(Nc2ccc(F)cc2)n1 ZINC001459069794 1067243882 /nfs/dbraw/zinc/24/38/82/1067243882.db2.gz DKSNYQGLIDYLRC-UHFFFAOYSA-N 0 0 455.744 4.627 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCC[C@H]2CC2(Cl)Cl)c1 ZINC001452689471 1067244378 /nfs/dbraw/zinc/24/43/78/1067244378.db2.gz HVFZIUYXTIELBG-INIZCTEOSA-N 0 0 455.407 4.808 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC001452693371 1067244906 /nfs/dbraw/zinc/24/49/06/1067244906.db2.gz WUTFCZHZYUZYON-LXGWOEDASA-N 0 0 451.563 4.796 20 0 JJADRN Cc1ccccc1OCc1nnc(SCC(=O)N(C)C[Si](C)(C)C)n1-c1ccccc1 ZINC001452693185 1067245026 /nfs/dbraw/zinc/24/50/26/1067245026.db2.gz DRTVOYXIHIDKMO-UHFFFAOYSA-N 0 0 454.672 4.583 20 0 JJADRN Cc1ccc(-n2cc(NC(=O)c3cc(Br)nc(Br)c3)cn2)c(C)c1 ZINC001459074584 1067245319 /nfs/dbraw/zinc/24/53/19/1067245319.db2.gz JCQUACHRAVQVLK-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2cc(Cl)c(N)cc2Br)c1 ZINC001459075078 1067245891 /nfs/dbraw/zinc/24/58/91/1067245891.db2.gz NQXVKFVQSSGCLN-JTQLQIEISA-N 0 0 457.777 4.899 20 0 JJADRN CCC(O)(CC)Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 ZINC001546043250 1067245869 /nfs/dbraw/zinc/24/58/69/1067245869.db2.gz NKVYDPCTOMBJFY-FQEVSTJZSA-N 0 0 480.575 4.847 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)cc2c1OCCO2 ZINC001459077370 1067246504 /nfs/dbraw/zinc/24/65/04/1067246504.db2.gz WYIHRPSPUNLFTG-LLVKDONJSA-N 0 0 456.720 4.540 20 0 JJADRN O=c1cc2c(nn1Cc1cccc(OCC(F)(F)F)c1Br)-c1ccccc1C2 ZINC001459078131 1067246883 /nfs/dbraw/zinc/24/68/83/1067246883.db2.gz LKWVVXHYCYZLHL-UHFFFAOYSA-N 0 0 451.242 4.566 20 0 JJADRN COc1ccc([C@H](CNC(=O)COc2cnc(F)cc2Cl)c2c[nH]c3ccccc32)cc1 ZINC001459077942 1067246897 /nfs/dbraw/zinc/24/68/97/1067246897.db2.gz RQYXGQUJWHSWHK-SFHVURJKSA-N 0 0 453.901 4.691 20 0 JJADRN Cc1nc2cc(C(=O)Oc3ccc(Oc4ccc(Br)cn4)cc3)ccc2c(=O)[nH]1 ZINC001459079885 1067247352 /nfs/dbraw/zinc/24/73/52/1067247352.db2.gz XUULCWVLPTVVPX-UHFFFAOYSA-N 0 0 452.264 4.813 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)NC(C)C)C1 ZINC001546105895 1067247455 /nfs/dbraw/zinc/24/74/55/1067247455.db2.gz AZKYKZZZLJRUST-UHFFFAOYSA-N 0 0 492.462 4.647 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)N[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC001452737937 1067247638 /nfs/dbraw/zinc/24/76/38/1067247638.db2.gz ZYXLOVOCZZBYLE-QHCPKHFHSA-N 0 0 456.380 4.988 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)cs1 ZINC001546042891 1067248047 /nfs/dbraw/zinc/24/80/47/1067248047.db2.gz AYVJQKYBUTVTTL-HDICACEKSA-N 0 0 477.675 4.606 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001459085619 1067248395 /nfs/dbraw/zinc/24/83/95/1067248395.db2.gz VTIDTHDDRKYHMY-IBDYFIJFSA-N 0 0 459.386 4.985 20 0 JJADRN CCOC(=O)c1csc(CCNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 ZINC001459086085 1067248438 /nfs/dbraw/zinc/24/84/38/1067248438.db2.gz UZGFNXVYLCGCMH-UHFFFAOYSA-N 0 0 452.504 4.622 20 0 JJADRN C[C@@H](Sc1nnc2ccc(Br)cn21)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001459086978 1067248817 /nfs/dbraw/zinc/24/88/17/1067248817.db2.gz KYKWZFGTSZXWCG-UONOGXRCSA-N 0 0 459.413 4.729 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cnc(Cl)cn1 ZINC001459086616 1067248825 /nfs/dbraw/zinc/24/88/25/1067248825.db2.gz PKRLMSGKHPLOHZ-QUCCMNQESA-N 0 0 458.990 4.508 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001546043577 1067248927 /nfs/dbraw/zinc/24/89/27/1067248927.db2.gz XCOZUJBELWWVDR-ACRUOGEOSA-N 0 0 493.693 4.543 20 0 JJADRN CCC(O)(CC)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1)C1CC1 ZINC001546043605 1067249004 /nfs/dbraw/zinc/24/90/04/1067249004.db2.gz XRGNLLJWKRYGMT-OYRHEFFESA-N 0 0 483.657 4.769 20 0 JJADRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001452761459 1067249013 /nfs/dbraw/zinc/24/90/13/1067249013.db2.gz ZSTBYSYKJGEJMK-HDICACEKSA-N 0 0 454.571 4.664 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001546043609 1067249171 /nfs/dbraw/zinc/24/91/71/1067249171.db2.gz XWVJGIXUQWCUJI-WOJBJXKFSA-N 0 0 450.668 4.532 20 0 JJADRN FC(F)(F)c1cc(Br)ccc1-c1nnn(Cc2cnc(-c3ccccc3)o2)n1 ZINC001459091031 1067249318 /nfs/dbraw/zinc/24/93/18/1067249318.db2.gz WOAOYZOZOVXPFF-UHFFFAOYSA-N 0 0 450.218 4.825 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NC1(c2ccccc2Br)CCC1 ZINC001452768966 1067250684 /nfs/dbraw/zinc/25/06/84/1067250684.db2.gz UGQDWQGYJIYWJN-UHFFFAOYSA-N 0 0 458.352 4.769 20 0 JJADRN COc1ccc(C(NC(=O)COc2cc(F)c(Cl)cc2C=O)c2ccc(OC)cc2)cc1 ZINC001459106945 1067251692 /nfs/dbraw/zinc/25/16/92/1067251692.db2.gz FFVRVTWHHNWIIM-UHFFFAOYSA-N 0 0 457.885 4.593 20 0 JJADRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452789898 1067251867 /nfs/dbraw/zinc/25/18/67/1067251867.db2.gz IGWUJXGQZZOTLQ-RUZDIDTESA-N 0 0 455.888 4.973 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452790944 1067251878 /nfs/dbraw/zinc/25/18/78/1067251878.db2.gz NJYLAGNHWBBUTM-DNQXCXABSA-N 0 0 453.023 4.727 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)C1 ZINC001546106359 1067252077 /nfs/dbraw/zinc/25/20/77/1067252077.db2.gz UHDOYGKILNYTIA-UHFFFAOYSA-N 0 0 454.493 4.659 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452791496 1067252404 /nfs/dbraw/zinc/25/24/04/1067252404.db2.gz SEGSOKPXVHMPSG-DVECYGJZSA-N 0 0 453.023 4.822 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC)c2OC)C1 ZINC001546106370 1067252211 /nfs/dbraw/zinc/25/22/11/1067252211.db2.gz USENDEMOSLDOAU-UHFFFAOYSA-N 0 0 465.598 4.625 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452791498 1067252348 /nfs/dbraw/zinc/25/23/48/1067252348.db2.gz SEGSOKPXVHMPSG-YADARESESA-N 0 0 453.023 4.822 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001452791448 1067252359 /nfs/dbraw/zinc/25/23/59/1067252359.db2.gz RZBRZTOLIRURJQ-RUZDIDTESA-N 0 0 453.922 4.757 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC[C@@H](C(=O)OCc3ccccc3)c3ccccc3)c2c1 ZINC001459108769 1067252482 /nfs/dbraw/zinc/25/24/82/1067252482.db2.gz DPHKFISMYZLSCX-JOCHJYFZSA-N 0 0 458.489 4.645 20 0 JJADRN COc1ccc([C@H](CC(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)NC(C)=O)cc1 ZINC001459110028 1067252533 /nfs/dbraw/zinc/25/25/33/1067252533.db2.gz HXINUEISHLXZJZ-CPJSRVTESA-N 0 0 457.574 4.704 20 0 JJADRN CC(=O)N(c1nc(Cn2cnc3cc(F)c(Cl)cc3c2=O)cs1)c1cccc(C)c1C ZINC001459110947 1067253134 /nfs/dbraw/zinc/25/31/34/1067253134.db2.gz SHZXYAQWKNMJMZ-UHFFFAOYSA-N 0 0 456.930 4.995 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1F ZINC001452801508 1067253533 /nfs/dbraw/zinc/25/35/33/1067253533.db2.gz NZMCODQVOKMVEI-QFIPXVFZSA-N 0 0 456.539 4.825 20 0 JJADRN C[C@H](C(=O)NCc1cccc(Oc2ccccc2F)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001452805943 1067254080 /nfs/dbraw/zinc/25/40/80/1067254080.db2.gz XMUQLNPAVYXXIK-LJQANCHMSA-N 0 0 451.517 4.584 20 0 JJADRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001459117567 1067254052 /nfs/dbraw/zinc/25/40/52/1067254052.db2.gz WJKFJBAQDOYOST-GOSISDBHSA-N 0 0 456.311 4.845 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)[C@H]1c1cccc(F)c1 ZINC001459116587 1067254074 /nfs/dbraw/zinc/25/40/74/1067254074.db2.gz BWUHSGCYCCNLQW-FUPPJEDESA-N 0 0 473.386 4.635 20 0 JJADRN Cc1ccccc1C1(C(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001452806308 1067254100 /nfs/dbraw/zinc/25/41/00/1067254100.db2.gz PHWRPSAIPRNNCQ-NRFANRHFSA-N 0 0 450.579 4.526 20 0 JJADRN C[C@@H](O)[C@@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1F ZINC001452810258 1067254643 /nfs/dbraw/zinc/25/46/43/1067254643.db2.gz FXIONTQBCWCQGK-NTKDMRAZSA-N 0 0 456.558 4.631 20 0 JJADRN C[C@H](O)[C@@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1F ZINC001452810265 1067254771 /nfs/dbraw/zinc/25/47/71/1067254771.db2.gz FXIONTQBCWCQGK-YADARESESA-N 0 0 456.558 4.631 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(Cl)c(Cl)c1 ZINC001459123503 1067256063 /nfs/dbraw/zinc/25/60/63/1067256063.db2.gz NOYQYZUCRBBUTH-QHCPKHFHSA-N 0 0 459.329 4.786 20 0 JJADRN CCOC(=O)c1cnc2ccccc2c1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459124986 1067256146 /nfs/dbraw/zinc/25/61/46/1067256146.db2.gz IKFDBFDWXAADRR-VWLOTQADSA-N 0 0 454.526 4.891 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(Cl)c(Cl)c1 ZINC001459123501 1067256159 /nfs/dbraw/zinc/25/61/59/1067256159.db2.gz NOYQYZUCRBBUTH-HSZRJFAPSA-N 0 0 459.329 4.786 20 0 JJADRN CC(=O)N[C@H](CC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)c1c(F)cccc1F ZINC001459125897 1067256565 /nfs/dbraw/zinc/25/65/65/1067256565.db2.gz PFCKEAKMQXYFIF-QGZVFWFLSA-N 0 0 455.486 4.718 20 0 JJADRN Cc1ccc(I)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC001459127248 1067256962 /nfs/dbraw/zinc/25/69/62/1067256962.db2.gz XHYQRGAPRBQBNR-UHFFFAOYSA-N 0 0 454.283 4.976 20 0 JJADRN COc1ccc(Br)cc1-c1nc(Cn2c(Br)cccc2=O)cs1 ZINC001459127138 1067257015 /nfs/dbraw/zinc/25/70/15/1067257015.db2.gz ODLYEXFUZSCBLK-UHFFFAOYSA-N 0 0 456.159 4.554 20 0 JJADRN CCCCN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ncsc2C1 ZINC001452840346 1067257173 /nfs/dbraw/zinc/25/71/73/1067257173.db2.gz DECLCYZYJUGOMC-INIZCTEOSA-N 0 0 456.637 4.601 20 0 JJADRN COc1cc(-c2noc(CCC(=O)O[C@H]3CCOc4c(C)cccc43)n2)cc(Cl)c1OC ZINC001459128838 1067257507 /nfs/dbraw/zinc/25/75/07/1067257507.db2.gz UGERZVLNJWCKRC-KRWDZBQOSA-N 0 0 458.898 4.715 20 0 JJADRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1(c2ccccc2)CCCC1 ZINC001459128893 1067257522 /nfs/dbraw/zinc/25/75/22/1067257522.db2.gz UUZGHDZQKYFNEP-ROUUACIJSA-N 0 0 455.396 4.819 20 0 JJADRN COc1cc(CNC(=O)COc2ccc(Cl)c3ccccc23)c(Br)cc1O ZINC001452860650 1067258016 /nfs/dbraw/zinc/25/80/16/1067258016.db2.gz FHUFEZQUIWMXHJ-UHFFFAOYSA-N 0 0 450.716 4.665 20 0 JJADRN C[C@H](Cc1c(F)cccc1F)NC(=O)COc1ccc(Br)c(C(F)(F)F)c1 ZINC001459138404 1067258349 /nfs/dbraw/zinc/25/83/49/1067258349.db2.gz USPUCBWTYUYACE-SNVBAGLBSA-N 0 0 452.217 4.872 20 0 JJADRN O=S(=O)(CCS[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139729 1067258919 /nfs/dbraw/zinc/25/89/19/1067258919.db2.gz DPIOTSZYGTXOFR-LJQANCHMSA-N 0 0 454.455 4.621 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)c2ccccc2)O1 ZINC001546045194 1067259161 /nfs/dbraw/zinc/25/91/61/1067259161.db2.gz LVTXDEJAESEKLO-BNIKKZEQSA-N 0 0 462.598 4.513 20 0 JJADRN O=S(=O)(CCS[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001459139728 1067259157 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ZINC001453119213 1067280389 /nfs/dbraw/zinc/28/03/89/1067280389.db2.gz WXFKGSGXBRYYTJ-NHCUHLMSSA-N 0 0 460.571 4.533 20 0 JJADRN CCCCN1C(=O)c2ccc(C(=O)N(Cc3ccc(OC)cc3OC)C(C)(C)C)cc2C1=O ZINC001459268329 1067280379 /nfs/dbraw/zinc/28/03/79/1067280379.db2.gz KDYFCQDRQOGKAL-UHFFFAOYSA-N 0 0 452.551 4.541 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC001453117676 1067280440 /nfs/dbraw/zinc/28/04/40/1067280440.db2.gz FNSIRHIAHSKBMY-DNQXCXABSA-N 0 0 478.568 4.594 20 0 JJADRN COc1ccc(CN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)C(C)(C)C)c(OC)c1 ZINC001459271979 1067280545 /nfs/dbraw/zinc/28/05/45/1067280545.db2.gz QHOSWZVYFHOSSI-UHFFFAOYSA-N 0 0 455.530 4.961 20 0 JJADRN COc1ncc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(C)c1Br ZINC001453121944 1067280902 /nfs/dbraw/zinc/28/09/02/1067280902.db2.gz ZKYWHYSLLVZHQI-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN COC(=O)c1cc2ccccc2cc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC001459275852 1067281044 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XWWSNAPFXWESPG-OAHLLOKOSA-N 0 0 457.423 4.834 20 0 JJADRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001459279093 1067282062 /nfs/dbraw/zinc/28/20/62/1067282062.db2.gz CIYIEIZGHPKJDX-XZOQPEGZSA-N 0 0 455.620 4.663 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)[C@@H](F)C2)O1 ZINC001546047887 1067282650 /nfs/dbraw/zinc/28/26/50/1067282650.db2.gz FQCBUDKWDTXGAI-BZIRYSOJSA-N 0 0 457.413 4.911 20 0 JJADRN COc1ccc(-c2nc(C(=O)N[C@H]3C[C@@H](OCc4ccccc4)C3(C)C)cs2)cc1OC ZINC001459287773 1067283083 /nfs/dbraw/zinc/28/30/83/1067283083.db2.gz MXGIPOXKLXJZIH-FCHUYYIVSA-N 0 0 452.576 4.941 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001459288017 1067283131 /nfs/dbraw/zinc/28/31/31/1067283131.db2.gz NHDQYNUPMXPQKN-UHFFFAOYSA-N 0 0 450.004 4.907 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)N(C(=O)OCc2ccccc2)C1 ZINC001459289761 1067283488 /nfs/dbraw/zinc/28/34/88/1067283488.db2.gz VXDSSGQDDHYYRA-NQYLQCIDSA-N 0 0 451.350 4.597 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N3Cc4cccc(Br)c4C3)cs2)cc1OC ZINC001459289621 1067283567 /nfs/dbraw/zinc/28/35/67/1067283567.db2.gz ZSMREIMSHWDOGE-UHFFFAOYSA-N 0 0 459.365 4.675 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2nc(CCOC)no2)O1 ZINC001546047960 1067283727 /nfs/dbraw/zinc/28/37/27/1067283727.db2.gz GMJVOQSCQVYTNI-JIPXPUAJSA-N 0 0 496.656 4.799 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](C(C)(C)C)C2)O1 ZINC001546048005 1067284162 /nfs/dbraw/zinc/28/41/62/1067284162.db2.gz GXESGZMKDWBOBP-BORKOYIJSA-N 0 0 472.630 4.561 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCCc1ccc(OCC(F)(F)F)nc1 ZINC001459296784 1067285069 /nfs/dbraw/zinc/28/50/69/1067285069.db2.gz JNNYQBVNEMPGEJ-UHFFFAOYSA-N 0 0 457.663 4.721 20 0 JJADRN Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1C ZINC001453177574 1067286411 /nfs/dbraw/zinc/28/64/11/1067286411.db2.gz SHKYKUWPYHSEKP-LJQANCHMSA-N 0 0 455.027 4.877 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C(C)C)C2)O1 ZINC001546048182 1067286441 /nfs/dbraw/zinc/28/64/41/1067286441.db2.gz JEDBMISZEPRAHR-SXWKCWPCSA-N 0 0 477.447 4.917 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001459299671 1067287085 /nfs/dbraw/zinc/28/70/85/1067287085.db2.gz PUYHWOLRUIYEEC-UHFFFAOYSA-N 0 0 456.816 4.901 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCSC[C@@H]2C)O1 ZINC001546048254 1067286968 /nfs/dbraw/zinc/28/69/68/1067286968.db2.gz KAUZPZMKTBDRTH-LBUQITIBSA-N 0 0 451.036 4.897 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)OCc2ccc(Cl)cc2Br)C1 ZINC001459300850 1067287428 /nfs/dbraw/zinc/28/74/28/1067287428.db2.gz XGPMPQFNOSJOJI-INIZCTEOSA-N 0 0 450.760 4.627 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)O1 ZINC001546048341 1067287468 /nfs/dbraw/zinc/28/74/68/1067287468.db2.gz KYLFEHQNMWQHKV-BAURHKQJSA-N 0 0 486.657 4.951 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546048260 1067287528 /nfs/dbraw/zinc/28/75/28/1067287528.db2.gz KCEZKFYACVOMPM-XXBNENTESA-N 0 0 480.531 4.649 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCCO[C@@H](C)C2)O1 ZINC001546048363 1067287917 /nfs/dbraw/zinc/28/79/17/1067287917.db2.gz LDXUCGARBKBRDR-TXBYWVTISA-N 0 0 493.446 4.679 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCOC2)O1 ZINC001546048467 1067288280 /nfs/dbraw/zinc/28/82/80/1067288280.db2.gz MNXJGYMGUJXDLL-DRSNIGMVSA-N 0 0 463.420 4.528 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)Nc2nc3ccc(I)cc3s2)c1 ZINC001459304749 1067288365 /nfs/dbraw/zinc/28/83/65/1067288365.db2.gz MDGOWTGUEITOLP-LBPRGKRZSA-N 0 0 452.317 4.753 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)CC(=O)NC(C)(C)C)O1 ZINC001546048400 1067288334 /nfs/dbraw/zinc/28/83/34/1067288334.db2.gz LODJBXKZYDUBIN-CMPWMSKVSA-N 0 0 487.714 4.830 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCOC2)O1 ZINC001546048468 1067288399 /nfs/dbraw/zinc/28/83/99/1067288399.db2.gz MNXJGYMGUJXDLL-GSHUGGBRSA-N 0 0 463.420 4.528 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c(C)n1[C@H](C)c1ccccc1 ZINC001453206892 1067288738 /nfs/dbraw/zinc/28/87/38/1067288738.db2.gz BLTCLFFOAZRDQK-LJQANCHMSA-N 0 0 451.592 4.502 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cccc(C(=O)C(F)(F)F)c4)CC3)n2)cc1 ZINC001459306071 1067288791 /nfs/dbraw/zinc/28/87/91/1067288791.db2.gz IDABRGPGMOAHAS-QGZVFWFLSA-N 0 0 458.484 4.669 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1=O ZINC001459305692 1067288803 /nfs/dbraw/zinc/28/88/03/1067288803.db2.gz ZBTOWSYLGFWZQV-ICSRJNTNSA-N 0 0 456.970 4.842 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c(C)n1[C@@H](C)c1ccccc1 ZINC001453206739 1067288801 /nfs/dbraw/zinc/28/88/01/1067288801.db2.gz BLTCLFFOAZRDQK-IBGZPJMESA-N 0 0 451.592 4.502 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnc(C)s2)O1 ZINC001546048515 1067288821 /nfs/dbraw/zinc/28/88/21/1067288821.db2.gz NBNMVYRNCQABKS-HRAATJIYSA-N 0 0 493.475 4.795 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC001459307168 1067289077 /nfs/dbraw/zinc/28/90/77/1067289077.db2.gz RCKCPDVFOOHSLX-FOIQADDNSA-N 0 0 451.792 4.695 20 0 JJADRN COc1ccc(OC2CCN(Cc3nc(-c4ccc(Br)s4)no3)CC2)cc1 ZINC001459309028 1067289644 /nfs/dbraw/zinc/28/96/44/1067289644.db2.gz JIGMNCIOJGRWBP-UHFFFAOYSA-N 0 0 450.358 4.613 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)O1 ZINC001546048646 1067290217 /nfs/dbraw/zinc/29/02/17/1067290217.db2.gz OOEPCJUZIINJCU-RMUDUWAUSA-N 0 0 456.631 4.943 20 0 JJADRN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1cc(Br)cs1 ZINC001459310640 1067290490 /nfs/dbraw/zinc/29/04/90/1067290490.db2.gz NTERUHFTWOMRKL-UHFFFAOYSA-N 0 0 458.353 4.983 20 0 JJADRN COc1cc(CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)ccc1OC(F)F ZINC001459314904 1067291585 /nfs/dbraw/zinc/29/15/85/1067291585.db2.gz WKTMNZSWIDAENV-UHFFFAOYSA-N 0 0 459.518 4.684 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2scnc2C)O1 ZINC001546048987 1067292001 /nfs/dbraw/zinc/29/20/01/1067292001.db2.gz SJBJPURGCVLBJE-FOIQADDNSA-N 0 0 479.448 4.785 20 0 JJADRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001453262670 1067292068 /nfs/dbraw/zinc/29/20/68/1067292068.db2.gz IZSRPAABTJUANR-MRXNPFEDSA-N 0 0 453.674 4.532 20 0 JJADRN CCOc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)co2)cc1 ZINC001459316439 1067292102 /nfs/dbraw/zinc/29/21/02/1067292102.db2.gz OUJBYEDDQLTFAB-UHFFFAOYSA-N 0 0 459.468 4.717 20 0 JJADRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC001453266273 1067292424 /nfs/dbraw/zinc/29/24/24/1067292424.db2.gz OAWCTESFGAGLGU-UHFFFAOYSA-N 0 0 454.452 4.513 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cc(C)c(OC)cc1C ZINC001459318036 1067293180 /nfs/dbraw/zinc/29/31/80/1067293180.db2.gz BZGKSAPXAMABCC-OSWQYVSFSA-N 0 0 450.535 4.888 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC12CCC2 ZINC001453283830 1067293522 /nfs/dbraw/zinc/29/35/22/1067293522.db2.gz UNZJOFDYPKOYMM-FQEVSTJZSA-N 0 0 456.461 4.726 20 0 JJADRN CC(C)(C)c1csc(CC2CCN(C(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)n1 ZINC001453284103 1067293552 /nfs/dbraw/zinc/29/35/52/1067293552.db2.gz ZPNKNWULAUPOIM-UHFFFAOYSA-N 0 0 452.624 4.893 20 0 JJADRN CCN(C(C)=O)c1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cn1 ZINC001453283206 1067293670 /nfs/dbraw/zinc/29/36/70/1067293670.db2.gz NROXXUPSKPFPSB-UHFFFAOYSA-N 0 0 455.312 4.657 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1cccc(C)c1C ZINC001459318878 1067293628 /nfs/dbraw/zinc/29/36/28/1067293628.db2.gz PLMLBUBKQWFIDE-DEOSSOPVSA-N 0 0 453.970 4.722 20 0 JJADRN CCOC(=O)[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1cccc(C)c1C ZINC001459318885 1067293684 /nfs/dbraw/zinc/29/36/84/1067293684.db2.gz PLMLBUBKQWFIDE-XMMPIXPASA-N 0 0 453.970 4.722 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)O1 ZINC001546048794 1067293892 /nfs/dbraw/zinc/29/38/92/1067293892.db2.gz QAHAOWSPJLZULA-OFVILXPXSA-N 0 0 478.584 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c2ccccc21 ZINC001453285902 1067293987 /nfs/dbraw/zinc/29/39/87/1067293987.db2.gz IUNRSYSXDUDRDF-BHIFYINESA-N 0 0 450.579 4.540 20 0 JJADRN COCCC1(CNC(=O)c2c(Cl)ccc(I)c2F)CCCCC1 ZINC001459319890 1067293984 /nfs/dbraw/zinc/29/39/84/1067293984.db2.gz ZVLAAUNYXQZKAS-UHFFFAOYSA-N 0 0 453.723 4.801 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CCCO)CC2)O1 ZINC001546048796 1067294481 /nfs/dbraw/zinc/29/44/81/1067294481.db2.gz QAHAOWSPJLZULA-SQJMNOBHSA-N 0 0 478.584 4.883 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)cc1S(C)(=O)=O ZINC001459320744 1067294541 /nfs/dbraw/zinc/29/45/41/1067294541.db2.gz GPHLCGJNYGSBTE-UHFFFAOYSA-N 0 0 459.951 4.892 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)c1cccc(C)c1C ZINC001459322856 1067294613 /nfs/dbraw/zinc/29/46/13/1067294613.db2.gz ZHXKYKUIFKRVOF-OAQYLSRUSA-N 0 0 459.468 4.851 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)OC2CCCC2)O1 ZINC001546049198 1067294949 /nfs/dbraw/zinc/29/49/49/1067294949.db2.gz WVVWABWUBBMYGL-UWJYYQICSA-N 0 0 466.424 4.704 20 0 JJADRN COc1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1Br ZINC001459324735 1067295062 /nfs/dbraw/zinc/29/50/62/1067295062.db2.gz RLBFCSGDLUNZHR-UHFFFAOYSA-N 0 0 452.370 4.573 20 0 JJADRN O=C(N1CCC(Oc2cncc(Cl)n2)CC1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001459326967 1067295874 /nfs/dbraw/zinc/29/58/74/1067295874.db2.gz ULLIYCSNCDAQEH-UHFFFAOYSA-N 0 0 455.864 4.520 20 0 JJADRN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459326867 1067295893 /nfs/dbraw/zinc/29/58/93/1067295893.db2.gz TZJQPRKWAALEQY-UHFFFAOYSA-N 0 0 458.345 4.899 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@H](OC)C2)O1 ZINC001546049430 1067296382 /nfs/dbraw/zinc/29/63/82/1067296382.db2.gz ZNNITYIUXSGUPU-GSHUGGBRSA-N 0 0 481.410 4.810 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546049423 1067296398 /nfs/dbraw/zinc/29/63/98/1067296398.db2.gz ZMGCBHLMNMALKB-MBSDFSHPSA-N 0 0 464.532 4.949 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)O1 ZINC001546049421 1067296444 /nfs/dbraw/zinc/29/64/44/1067296444.db2.gz ZMGCBHLMNMALKB-FDDCHVKYSA-N 0 0 464.532 4.949 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001459333090 1067296828 /nfs/dbraw/zinc/29/68/28/1067296828.db2.gz JURNTOKKPKGSAJ-KRWDZBQOSA-N 0 0 451.405 4.701 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cccc4c3C(=O)OC4(C)C)CC2)C1 ZINC001453320586 1067297282 /nfs/dbraw/zinc/29/72/82/1067297282.db2.gz DQBIWXJDNITJEU-GOSISDBHSA-N 0 0 456.583 4.591 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC001459335485 1067297414 /nfs/dbraw/zinc/29/74/14/1067297414.db2.gz UQBBTSARCDSGIY-CEYNDMKZSA-N 0 0 454.636 4.894 20 0 JJADRN Cc1ccn(-c2ccc(C(=O)N3CCC([C@H]4CCCN(C(=O)OC(C)(C)C)C4)CC3)cc2)n1 ZINC001453327613 1067297772 /nfs/dbraw/zinc/29/77/72/1067297772.db2.gz QZPDOJQHCRTNDE-QFIPXVFZSA-N 0 0 452.599 4.680 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)COc3ccc(Cl)cc3Br)CC2)cc1 ZINC001459335979 1067297928 /nfs/dbraw/zinc/29/79/28/1067297928.db2.gz YHLXAVFWWXJEDR-UHFFFAOYSA-N 0 0 451.792 4.954 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001459337970 1067297947 /nfs/dbraw/zinc/29/79/47/1067297947.db2.gz PRIIZFSQFPJIIP-SFHVURJKSA-N 0 0 455.368 4.851 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001453333366 1067298219 /nfs/dbraw/zinc/29/82/19/1067298219.db2.gz KDAUVMDZTUOXEM-KRWDZBQOSA-N 0 0 455.521 4.529 20 0 JJADRN O=C(CN1CCN(C(=O)CCC2CCCCC2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001459342413 1067298882 /nfs/dbraw/zinc/29/88/82/1067298882.db2.gz AQIBQBHARZBYMX-NDEPHWFRSA-N 0 0 453.671 4.929 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)CC2=O)c1C ZINC001459342312 1067298906 /nfs/dbraw/zinc/29/89/06/1067298906.db2.gz ZGKCZONHNVGBPT-VGSWGCGISA-N 0 0 459.359 4.825 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(NC(C)C)c1 ZINC001453343768 1067299623 /nfs/dbraw/zinc/29/96/23/1067299623.db2.gz GYQQQRCBQYLNFW-CYBMUJFWSA-N 0 0 454.493 4.801 20 0 JJADRN O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC001459349767 1067300499 /nfs/dbraw/zinc/30/04/99/1067300499.db2.gz UBDVLCXYCUOWEI-QFIPXVFZSA-N 0 0 453.995 4.597 20 0 JJADRN CSc1ccc(O[C@H](C)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1 ZINC001453361076 1067300889 /nfs/dbraw/zinc/30/08/89/1067300889.db2.gz YOSAHKHONLKDCJ-XFJVYGCCSA-N 0 0 463.235 4.530 20 0 JJADRN C[C@]12CCN(C(=O)c3cc(F)cc(Br)c3)C[C@H]1C2(Br)Br ZINC001453360127 1067301058 /nfs/dbraw/zinc/30/10/58/1067301058.db2.gz VRBKQUBWORGEQT-YPMHNXCESA-N 0 0 469.974 4.556 20 0 JJADRN C[C@]12CCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)C[C@H]1C2(Br)Br ZINC001453368858 1067301531 /nfs/dbraw/zinc/30/15/31/1067301531.db2.gz OOYBZGTUUSBYMF-MJEQTWJJSA-N 0 0 476.640 4.521 20 0 JJADRN CN(CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459352672 1067301732 /nfs/dbraw/zinc/30/17/32/1067301732.db2.gz PIXVZPNBIDLFTO-YJBOKZPZSA-N 0 0 454.404 4.707 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC001453377395 1067302141 /nfs/dbraw/zinc/30/21/41/1067302141.db2.gz CHECVSJDUKHSCB-HSZRJFAPSA-N 0 0 459.546 4.821 20 0 JJADRN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001453394511 1067302918 /nfs/dbraw/zinc/30/29/18/1067302918.db2.gz BUFDRFLFTDOHAK-INIZCTEOSA-N 0 0 459.262 4.771 20 0 JJADRN CCOC(=O)N1CCC([C@H](C)NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)CC1 ZINC001459363424 1067303447 /nfs/dbraw/zinc/30/34/47/1067303447.db2.gz IKEPGEDDUGORQK-INIZCTEOSA-N 0 0 459.612 4.758 20 0 JJADRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001459363972 1067303546 /nfs/dbraw/zinc/30/35/46/1067303546.db2.gz DKELWUZGONIRRB-MRXNPFEDSA-N 0 0 459.472 4.556 20 0 JJADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(C)(C)Sc2ccc(Br)cc2)CC1 ZINC001459364467 1067304083 /nfs/dbraw/zinc/30/40/83/1067304083.db2.gz LSRIQCKVKBNRMR-CQSZACIVSA-N 0 0 457.434 4.693 20 0 JJADRN O=C(CCc1ccc(Cl)cc1Cl)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001453407522 1067304961 /nfs/dbraw/zinc/30/49/61/1067304961.db2.gz PCLLJBPQTUGNLS-FQEVSTJZSA-N 0 0 457.195 4.725 20 0 JJADRN CCCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001459370369 1067305415 /nfs/dbraw/zinc/30/54/15/1067305415.db2.gz YYZSOWLOCICQKV-QGZVFWFLSA-N 0 0 453.974 4.753 20 0 JJADRN O=C(NCc1c(Cl)oc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001453430324 1067305587 /nfs/dbraw/zinc/30/55/87/1067305587.db2.gz LDMIFZOVBIWUIQ-UHFFFAOYSA-N 0 0 458.898 4.956 20 0 JJADRN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001453431504 1067305700 /nfs/dbraw/zinc/30/57/00/1067305700.db2.gz COCLOAJNPXGQLD-CQSZACIVSA-N 0 0 452.363 4.521 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCC4)c2)n1 ZINC001453432746 1067305837 /nfs/dbraw/zinc/30/58/37/1067305837.db2.gz PROMLQGEYAAWTD-IBGZPJMESA-N 0 0 456.612 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3c(Cl)oc4ccccc43)cn2)C1 ZINC001453436347 1067306130 /nfs/dbraw/zinc/30/61/30/1067306130.db2.gz ZEJYFEAFZDVGKL-INIZCTEOSA-N 0 0 458.946 4.785 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C3CCC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546051018 1067306188 /nfs/dbraw/zinc/30/61/88/1067306188.db2.gz FTEBHBKTKVYJFT-MBSDFSHPSA-N 0 0 495.437 4.794 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc1 ZINC001453437608 1067306703 /nfs/dbraw/zinc/30/67/03/1067306703.db2.gz VPAUZRMEPPBRTA-UHFFFAOYSA-N 0 0 456.340 4.705 20 0 JJADRN Cc1cc(C(F)F)n(CC(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)n1 ZINC001459374666 1067306796 /nfs/dbraw/zinc/30/67/96/1067306796.db2.gz ZDYYFIHIYVWPTI-UHFFFAOYSA-N 0 0 453.262 4.659 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)O1 ZINC001546051559 1067307236 /nfs/dbraw/zinc/30/72/36/1067307236.db2.gz LWBWXHNYUBKDIM-NFQMXDRXSA-N 0 0 498.672 4.880 20 0 JJADRN CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC001453477492 1067307782 /nfs/dbraw/zinc/30/77/82/1067307782.db2.gz NZAUIFRVIYBHOB-BVFVYWQFSA-N 0 0 464.606 4.966 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)C12CCC2 ZINC001453470118 1067307794 /nfs/dbraw/zinc/30/77/94/1067307794.db2.gz TXZLPKYLSREPBW-GCKMJXCFSA-N 0 0 456.530 4.679 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1 ZINC001453479976 1067308242 /nfs/dbraw/zinc/30/82/42/1067308242.db2.gz RFBYGXLAZVDQJD-AWEZNQCLSA-N 0 0 451.539 4.988 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001453479067 1067308265 /nfs/dbraw/zinc/30/82/65/1067308265.db2.gz MGQUFKFANZMVII-VXKWHMMOSA-N 0 0 454.542 4.551 20 0 JJADRN 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ZINC001453609196 1067319168 /nfs/dbraw/zinc/31/91/68/1067319168.db2.gz SQUFZSIJLPQMLV-UHFFFAOYSA-N 0 0 452.292 4.511 20 0 JJADRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)c1 ZINC001453622949 1067319396 /nfs/dbraw/zinc/31/93/96/1067319396.db2.gz ZJGHFGCTQDISES-UHFFFAOYSA-N 0 0 458.408 4.577 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(OC)c3)C2)O1 ZINC001546053564 1067319425 /nfs/dbraw/zinc/31/94/25/1067319425.db2.gz CHKMBELWZIAMEY-VVZHRXSXSA-N 0 0 456.631 4.801 20 0 JJADRN O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001453636167 1067319861 /nfs/dbraw/zinc/31/98/61/1067319861.db2.gz KWRBZYPNESCWBN-JOCHJYFZSA-N 0 0 455.967 4.807 20 0 JJADRN O=C(CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1)Nc1cccnc1Cl ZINC001459419170 1067319932 /nfs/dbraw/zinc/31/99/32/1067319932.db2.gz OIWWTYAUUSBGQR-QHCPKHFHSA-N 0 0 455.389 4.734 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001459419000 1067319961 /nfs/dbraw/zinc/31/99/61/1067319961.db2.gz BWLPDOPNHQKFAU-OAQYLSRUSA-N 0 0 454.514 4.856 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1 ZINC001459419678 1067319980 /nfs/dbraw/zinc/31/99/80/1067319980.db2.gz OJYXRONGKHKYGW-OAQYLSRUSA-N 0 0 459.384 4.722 20 0 JJADRN COc1cccc(CN(C)C(=O)c2cccc(Cn3ccnc3)c2)c1OCc1ccccc1F ZINC001459419425 1067320135 /nfs/dbraw/zinc/32/01/35/1067320135.db2.gz SZZVLEGBVVCRAZ-UHFFFAOYSA-N 0 0 459.521 4.930 20 0 JJADRN CC(C)N(C(=O)C(F)(F)c1cccc(Br)c1)c1ccc(CC(=O)N(C)C)cc1 ZINC001459420408 1067320229 /nfs/dbraw/zinc/32/02/29/1067320229.db2.gz XLKCVAJEEXLYAQ-UHFFFAOYSA-N 0 0 453.327 4.613 20 0 JJADRN O=C(CN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1)Nc1cccnc1Cl ZINC001459419168 1067320262 /nfs/dbraw/zinc/32/02/62/1067320262.db2.gz OIWWTYAUUSBGQR-HSZRJFAPSA-N 0 0 455.389 4.734 20 0 JJADRN Cn1ccnc1[C@H](CC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21)C(F)(F)F ZINC001453644457 1067320305 /nfs/dbraw/zinc/32/03/05/1067320305.db2.gz SLFLILKPUKWWRK-IRXDYDNUSA-N 0 0 452.477 4.607 20 0 JJADRN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001453645205 1067320356 /nfs/dbraw/zinc/32/03/56/1067320356.db2.gz WCVPYXFHLYXEQE-UHFFFAOYSA-N 0 0 453.913 4.606 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2[nH]c3ccccc3c2Br)c(OCC(F)F)c1 ZINC001453658619 1067320661 /nfs/dbraw/zinc/32/06/61/1067320661.db2.gz NTCPMPYGPNVDDI-UHFFFAOYSA-N 0 0 453.239 4.613 20 0 JJADRN Cc1ccc(SCCC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001453670568 1067320724 /nfs/dbraw/zinc/32/07/24/1067320724.db2.gz ITLKMDAHFVVTNJ-WOJBJXKFSA-N 0 0 450.526 4.540 20 0 JJADRN Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)c2ccccn12 ZINC001459424359 1067322251 /nfs/dbraw/zinc/32/22/51/1067322251.db2.gz HELCPIVFALNYJE-FQEVSTJZSA-N 0 0 454.958 4.730 20 0 JJADRN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453686354 1067322269 /nfs/dbraw/zinc/32/22/69/1067322269.db2.gz JDVHGMQVBODCKL-GDKQOWJMSA-N 0 0 479.621 4.746 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)C1 ZINC001459425217 1067322769 /nfs/dbraw/zinc/32/27/69/1067322769.db2.gz JJMNXMRROQUVPJ-SANMLTNESA-N 0 0 454.615 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@@H](c2cccc(Cl)c2)C1 ZINC001459427438 1067323074 /nfs/dbraw/zinc/32/30/74/1067323074.db2.gz SDNNTWLOTGWHQQ-HXUWFJFHSA-N 0 0 450.913 4.981 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)O1 ZINC001546053924 1067323230 /nfs/dbraw/zinc/32/32/30/1067323230.db2.gz HAPSJSIRSKJPMJ-MBSDFSHPSA-N 0 0 497.453 4.725 20 0 JJADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001453694282 1067323312 /nfs/dbraw/zinc/32/33/12/1067323312.db2.gz WMZXGFZIQGCQNO-GLZIZSSYSA-N 0 0 451.405 4.979 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001453703600 1067323504 /nfs/dbraw/zinc/32/35/04/1067323504.db2.gz BNSZYWLGIXWJSR-MRXNPFEDSA-N 0 0 456.732 4.803 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001459429503 1067323942 /nfs/dbraw/zinc/32/39/42/1067323942.db2.gz ZAZVYXAXUGWEBN-OAQYLSRUSA-N 0 0 456.505 4.671 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@@](C)(CO)c3cccc(C(F)(F)F)c3)cc2c1Br ZINC001453705847 1067324096 /nfs/dbraw/zinc/32/40/96/1067324096.db2.gz XPYCWAGDZJCLMB-IBGZPJMESA-N 0 0 455.274 4.895 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCC3(CCc4ccccc4O3)CC2)cs1 ZINC001453710883 1067324133 /nfs/dbraw/zinc/32/41/33/1067324133.db2.gz HUDRKIRTGDXHTQ-INIZCTEOSA-N 0 0 457.596 4.729 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC001453719873 1067324305 /nfs/dbraw/zinc/32/43/05/1067324305.db2.gz MAKWJRZEYOYWHO-TZIWHRDSSA-N 0 0 470.545 4.716 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC[C@H]1F ZINC001453718540 1067324384 /nfs/dbraw/zinc/32/43/84/1067324384.db2.gz JDUVXSGTCFIIAQ-DODZYUBVSA-N 0 0 459.587 4.810 20 0 JJADRN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001453722505 1067324544 /nfs/dbraw/zinc/32/45/44/1067324544.db2.gz YCMVTJNBAFRDAA-FQEVSTJZSA-N 0 0 454.357 4.784 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)CC2=O)c1 ZINC001459444242 1067325409 /nfs/dbraw/zinc/32/54/09/1067325409.db2.gz DHAONBQGDPRSRX-GFCCVEGCSA-N 0 0 458.889 4.995 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC001453742309 1067326026 /nfs/dbraw/zinc/32/60/26/1067326026.db2.gz HHGXIGJAHSEAEB-GOSISDBHSA-N 0 0 453.167 4.938 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Br)cc2)cc1 ZINC001453742287 1067326214 /nfs/dbraw/zinc/32/62/14/1067326214.db2.gz JKZKBFZBZADGEO-NRFANRHFSA-N 0 0 455.400 4.938 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)Cc1nc(C2CCCC2)cs1)c1ccc(Br)cc1 ZINC001453742417 1067326387 /nfs/dbraw/zinc/32/63/87/1067326387.db2.gz KFKSKEAAEOTHIS-FQEVSTJZSA-N 0 0 459.413 4.745 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001453743741 1067326453 /nfs/dbraw/zinc/32/64/53/1067326453.db2.gz FEBNODCIVFIGCF-ROUUACIJSA-N 0 0 454.926 4.617 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001453743739 1067326569 /nfs/dbraw/zinc/32/65/69/1067326569.db2.gz FEBNODCIVFIGCF-MSOLQXFVSA-N 0 0 454.926 4.617 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC001459453855 1067327681 /nfs/dbraw/zinc/32/76/81/1067327681.db2.gz SQXGJCHJHQVODH-HXUWFJFHSA-N 0 0 455.942 4.971 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)O1 ZINC001546054603 1067327515 /nfs/dbraw/zinc/32/75/15/1067327515.db2.gz PNGMTQVXCKZABS-WAOWUJCRSA-N 0 0 472.939 4.638 20 0 JJADRN Cn1c2cc(NC(=O)/C=C\c3cc(Cl)cc(Cl)c3)c(N3CCCCC3)cc2n(C)c1=O ZINC001459456898 1067328163 /nfs/dbraw/zinc/32/81/63/1067328163.db2.gz COTMSPFMLYEMPF-SREVYHEPSA-N 0 0 459.377 4.826 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459455992 1067328244 /nfs/dbraw/zinc/32/82/44/1067328244.db2.gz YKBYISMBOXYJIX-UHFFFAOYSA-N 0 0 455.335 4.690 20 0 JJADRN COC(=O)c1ccc(Br)c(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001459457670 1067328718 /nfs/dbraw/zinc/32/87/18/1067328718.db2.gz RWGMYYNPAFATJZ-HXUWFJFHSA-N 0 0 452.776 4.835 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458965 1067328868 /nfs/dbraw/zinc/32/88/68/1067328868.db2.gz VGTCZKUHDGRWEQ-XOBRGWDASA-N 0 0 451.792 4.875 20 0 JJADRN O=C(Nc1n[nH]cc1I)c1oc2ccccc2c1COc1ccccc1 ZINC001453777139 1067329305 /nfs/dbraw/zinc/32/93/05/1067329305.db2.gz XNIAJYGCOMNKNS-UHFFFAOYSA-N 0 0 459.243 4.592 20 0 JJADRN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001453777930 1067329332 /nfs/dbraw/zinc/32/93/32/1067329332.db2.gz CEILWSVBDSVNOM-HXUWFJFHSA-N 0 0 453.308 4.580 20 0 JJADRN COc1nsc(CNC(=O)c2c3c(sc2-n2cccc2)CCCC3)c1Br ZINC001453796029 1067330281 /nfs/dbraw/zinc/33/02/81/1067330281.db2.gz AYXDZVDINLSAMV-UHFFFAOYSA-N 0 0 452.399 4.575 20 0 JJADRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001459462471 1067330276 /nfs/dbraw/zinc/33/02/76/1067330276.db2.gz DHNTWGQKQROBBJ-UHFFFAOYSA-N 0 0 458.699 4.955 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC001459463476 1067330295 /nfs/dbraw/zinc/33/02/95/1067330295.db2.gz XZTIDYAUTNTUTL-FGSXEWAUSA-N 0 0 451.405 4.543 20 0 JJADRN Cc1cc(C)c(C(=O)OCc2nc(-c3ccccn3)cs2)cc1I ZINC001459462899 1067330427 /nfs/dbraw/zinc/33/04/27/1067330427.db2.gz YEXKXMFNRSGEPT-UHFFFAOYSA-N 0 0 450.301 4.784 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC001459463482 1067330441 /nfs/dbraw/zinc/33/04/41/1067330441.db2.gz XZTIDYAUTNTUTL-NPPFBWRTSA-N 0 0 451.405 4.543 20 0 JJADRN COc1cc(/C=C\C(=O)N2CCc3cc(F)cc(C)c3C2)ccc1OCc1c(C)noc1C ZINC001459462377 1067330535 /nfs/dbraw/zinc/33/05/35/1067330535.db2.gz VMCXUUVDBMORPH-VURMDHGXSA-N 0 0 450.510 4.925 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCSC2)O1 ZINC001546055172 1067330630 /nfs/dbraw/zinc/33/06/30/1067330630.db2.gz XRXMVFCCKYVKIZ-WZOHSFFVSA-N 0 0 493.718 4.682 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC[C@@]3(C)Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001453824076 1067331470 /nfs/dbraw/zinc/33/14/70/1067331470.db2.gz RBWPILWDTPPZTL-MUCNXURCSA-N 0 0 452.517 4.742 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(OC(F)F)cc2)O1 ZINC001546055279 1067331546 /nfs/dbraw/zinc/33/15/46/1067331546.db2.gz YVONSQRZEIGJHL-SQJMNOBHSA-N 0 0 471.552 4.849 20 0 JJADRN CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC001453835377 1067331699 /nfs/dbraw/zinc/33/16/99/1067331699.db2.gz SWIREADKZDMPHB-UHFFFAOYSA-N 0 0 450.297 4.752 20 0 JJADRN CN(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001459466619 1067331836 /nfs/dbraw/zinc/33/18/36/1067331836.db2.gz LGSQSLQRPCFHOZ-UPVQGACJSA-N 0 0 451.586 4.524 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)[C@H](c2cccc(F)c2)C1 ZINC001459466560 1067331957 /nfs/dbraw/zinc/33/19/57/1067331957.db2.gz OPDQDXDCOQWHJR-INIZCTEOSA-N 0 0 454.329 4.962 20 0 JJADRN CC(=O)Nc1ccc(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1 ZINC001459466555 1067332009 /nfs/dbraw/zinc/33/20/09/1067332009.db2.gz OJOJKWZUSVDOIJ-QFIPXVFZSA-N 0 0 455.530 4.527 20 0 JJADRN CCCOc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c(OCc2ccccc2)c1 ZINC001453858962 1067332436 /nfs/dbraw/zinc/33/24/36/1067332436.db2.gz DLBUAVLTJSKYTD-DEOSSOPVSA-N 0 0 450.579 4.718 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)Nc3nn(-c4ccc(Cl)cc4)cc3C)n2)cc1 ZINC001459467695 1067332400 /nfs/dbraw/zinc/33/24/00/1067332400.db2.gz VLJKSWTVEOBPFW-UHFFFAOYSA-N 0 0 451.914 4.854 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C ZINC001453870221 1067332724 /nfs/dbraw/zinc/33/27/24/1067332724.db2.gz NJHNEAUPMLLAPP-SFHVURJKSA-N 0 0 459.583 4.553 20 0 JJADRN CC(C)[C@@H](CCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001453867383 1067332735 /nfs/dbraw/zinc/33/27/35/1067332735.db2.gz XYEZQOINWKZEHF-QGZVFWFLSA-N 0 0 454.493 4.560 20 0 JJADRN CCc1ccccc1OCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001459469132 1067332898 /nfs/dbraw/zinc/33/28/98/1067332898.db2.gz SBGZJLVUSWJMAS-QFIPXVFZSA-N 0 0 456.558 4.978 20 0 JJADRN O=C([C@H](Oc1ccccc1Br)c1ccccc1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC001453875734 1067333066 /nfs/dbraw/zinc/33/30/66/1067333066.db2.gz AFAIXXDXTHIRFJ-MAUKXSAKSA-N 0 0 458.274 4.749 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001459470705 1067333275 /nfs/dbraw/zinc/33/32/75/1067333275.db2.gz SFDJUBRXCSQOBP-JOCHJYFZSA-N 0 0 451.405 4.550 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)cc1 ZINC001453878751 1067333405 /nfs/dbraw/zinc/33/34/05/1067333405.db2.gz NTMXFEXRAJNILJ-GOTSBHOMSA-N 0 0 452.551 4.857 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)ccc2C)cc1 ZINC001453876898 1067333472 /nfs/dbraw/zinc/33/34/72/1067333472.db2.gz DTXNVHCUITVAEU-ZEQRLZLVSA-N 0 0 464.587 4.726 20 0 JJADRN Cc1ccccc1CC1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1 ZINC001453876002 1067333509 /nfs/dbraw/zinc/33/35/09/1067333509.db2.gz XJWFPQMNXICXQY-UHFFFAOYSA-N 0 0 454.979 4.764 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NCC(F)(F)c2ccc(Br)cc2)c1C(F)(F)F ZINC001453883751 1067334002 /nfs/dbraw/zinc/33/40/02/1067334002.db2.gz UGHNUFVNOFBWCT-UHFFFAOYSA-N 0 0 454.237 4.941 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC001453885204 1067334142 /nfs/dbraw/zinc/33/41/42/1067334142.db2.gz BIJDVWWJNRDNAA-JOCHJYFZSA-N 0 0 457.357 4.695 20 0 JJADRN CN(C[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1)C(=O)OC(C)(C)C ZINC001459474679 1067334350 /nfs/dbraw/zinc/33/43/50/1067334350.db2.gz HOSUYVHMKDQZAK-HNNXBMFYSA-N 0 0 450.377 4.793 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001546109102 1067334475 /nfs/dbraw/zinc/33/44/75/1067334475.db2.gz TWNKDXSUUPJZEN-GOSISDBHSA-N 0 0 452.521 4.940 20 0 JJADRN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)cnn1C1CCCCC1 ZINC001459474276 1067334523 /nfs/dbraw/zinc/33/45/23/1067334523.db2.gz AZXQSPPDOLQCFE-JOCHJYFZSA-N 0 0 453.587 4.526 20 0 JJADRN CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1Cl ZINC001459476087 1067334720 /nfs/dbraw/zinc/33/47/20/1067334720.db2.gz CPOCMRCQOBPBQH-INIZCTEOSA-N 0 0 454.741 4.905 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001453897702 1067334851 /nfs/dbraw/zinc/33/48/51/1067334851.db2.gz WFNHSYUQYRRHEF-LJQANCHMSA-N 0 0 459.358 4.766 20 0 JJADRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001459476139 1067334960 /nfs/dbraw/zinc/33/49/60/1067334960.db2.gz MVCAQSYSEYUKIL-HXUWFJFHSA-N 0 0 453.420 4.693 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)c1ccc(F)cc1F ZINC001453915774 1067335479 /nfs/dbraw/zinc/33/54/79/1067335479.db2.gz RFWSSTYPLIOUPQ-INIZCTEOSA-N 0 0 454.836 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](c2ccncc2)C1 ZINC001459479934 1067335728 /nfs/dbraw/zinc/33/57/28/1067335728.db2.gz IYPVTOHXFNHAID-LJQANCHMSA-N 0 0 450.366 4.752 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC001459480225 1067335816 /nfs/dbraw/zinc/33/58/16/1067335816.db2.gz JTWUAQUJAJKEGF-MRXNPFEDSA-N 0 0 455.711 4.700 20 0 JJADRN COc1cccc([C@H](C)N2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 ZINC001459481656 1067336176 /nfs/dbraw/zinc/33/61/76/1067336176.db2.gz QGEWWTGYCVNOPH-KRWDZBQOSA-N 0 0 456.384 4.992 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ncc(-c3ccccc3F)s2)CC1 ZINC001459485026 1067336284 /nfs/dbraw/zinc/33/62/84/1067336284.db2.gz WPLUXHFOGFXSTK-UHFFFAOYSA-N 0 0 453.539 4.595 20 0 JJADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001459491857 1067337920 /nfs/dbraw/zinc/33/79/20/1067337920.db2.gz WHNDZKWAKOCKLZ-YMTOWFKASA-N 0 0 453.358 4.928 20 0 JJADRN CCC1(CC)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCCC2)C1 ZINC001546109224 1067338352 /nfs/dbraw/zinc/33/83/52/1067338352.db2.gz WJUWEEPTTZJGBK-UHFFFAOYSA-N 0 0 475.678 4.714 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)C1 ZINC001546109301 1067338903 /nfs/dbraw/zinc/33/89/03/1067338903.db2.gz YOFCBHJITRQITB-GOSISDBHSA-N 0 0 483.604 4.648 20 0 JJADRN COC(=O)c1ccc(F)c(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459503644 1067339681 /nfs/dbraw/zinc/33/96/81/1067339681.db2.gz QHRBCEUEFOWBCA-UHFFFAOYSA-N 0 0 451.473 4.954 20 0 JJADRN CC/C(=C\C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1cccc(Cl)c1 ZINC001459506469 1067340281 /nfs/dbraw/zinc/34/02/81/1067340281.db2.gz WRIKJIBAFOAREV-SDNWHVSQSA-N 0 0 450.764 4.766 20 0 JJADRN CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(Br)c2I)C1 ZINC001459506838 1067340531 /nfs/dbraw/zinc/34/05/31/1067340531.db2.gz AYINKZYJPWUFLK-LLVKDONJSA-N 0 0 450.158 4.952 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC001459508283 1067341205 /nfs/dbraw/zinc/34/12/05/1067341205.db2.gz HBPOKCMOXWOIIQ-GOSISDBHSA-N 0 0 456.274 4.653 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)CCc3ncc(-c4ccccc4F)o3)CC2)c1 ZINC001459512611 1067342086 /nfs/dbraw/zinc/34/20/86/1067342086.db2.gz NNURWXAUWCWBFC-UHFFFAOYSA-N 0 0 456.489 4.918 20 0 JJADRN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC001459514643 1067342489 /nfs/dbraw/zinc/34/24/89/1067342489.db2.gz NQAXAQHWCAQMBR-SJORKVTESA-N 0 0 453.396 4.725 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Oc1cc(F)c(Br)cc1Cl ZINC001459515275 1067342785 /nfs/dbraw/zinc/34/27/85/1067342785.db2.gz RTARFMVMOCSVGR-UHFFFAOYSA-N 0 0 454.601 4.891 20 0 JJADRN O=C(Oc1cc(F)c(Br)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001459518502 1067343019 /nfs/dbraw/zinc/34/30/19/1067343019.db2.gz UKGRMIYKYUYNIW-ZDUSSCGKSA-N 0 0 452.707 4.689 20 0 JJADRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)Cc1ccc(I)cc1 ZINC001459519104 1067343560 /nfs/dbraw/zinc/34/35/60/1067343560.db2.gz VTQRCYQNKBBMBV-SFHVURJKSA-N 0 0 459.249 4.696 20 0 JJADRN O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(I)c(Cl)c1 ZINC001459521689 1067343918 /nfs/dbraw/zinc/34/39/18/1067343918.db2.gz CPWSBVPNEQWHSE-BQYQJAHWSA-N 0 0 454.720 4.884 20 0 JJADRN O=C1CN(Cc2cc(Cl)ccc2OCc2cccnc2)CCN1Cc1ccc(Cl)cc1 ZINC001459522565 1067344144 /nfs/dbraw/zinc/34/41/44/1067344144.db2.gz WELZJGXZJCOOPV-UHFFFAOYSA-N 0 0 456.373 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cccc(Br)c2Cl)C1 ZINC001459523608 1067344306 /nfs/dbraw/zinc/34/43/06/1067344306.db2.gz IOMRWMOYYXWUMB-JTQLQIEISA-N 0 0 453.711 4.933 20 0 JJADRN CCc1ccc([C@@H]2COCCN2CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC001459524415 1067344315 /nfs/dbraw/zinc/34/43/15/1067344315.db2.gz CRGHIMICXPXERT-INIZCTEOSA-N 0 0 450.379 4.892 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)c4cccnc34)C2)cc1 ZINC001459522886 1067344328 /nfs/dbraw/zinc/34/43/28/1067344328.db2.gz CNKGLMVSCCAXBG-KRWDZBQOSA-N 0 0 452.352 4.797 20 0 JJADRN O=C(NCc1ccc(I)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 ZINC001459527602 1067344560 /nfs/dbraw/zinc/34/45/60/1067344560.db2.gz LNGVCQULYKPGPX-UHFFFAOYSA-N 0 0 456.642 4.669 20 0 JJADRN COc1cc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c(SC)cc1OC ZINC001459528193 1067345461 /nfs/dbraw/zinc/34/54/61/1067345461.db2.gz NNKNUWYUANTYHL-UHFFFAOYSA-N 0 0 453.486 4.725 20 0 JJADRN Cc1cc(Br)oc1C(=O)NCc1ccc(I)c(Cl)c1 ZINC001459528280 1067345562 /nfs/dbraw/zinc/34/55/62/1067345562.db2.gz OLSMVHCHUAXQRQ-UHFFFAOYSA-N 0 0 454.489 4.539 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001459530526 1067345984 /nfs/dbraw/zinc/34/59/84/1067345984.db2.gz SGUDBABODUHUGQ-AWEZNQCLSA-N 0 0 452.885 4.563 20 0 JJADRN O=C([C@H]1CCOc2ccc(Br)cc21)N1CCOc2c(Br)cccc21 ZINC001459531613 1067346187 /nfs/dbraw/zinc/34/61/87/1067346187.db2.gz KWVACPRRLDUABP-LBPRGKRZSA-N 0 0 453.130 4.503 20 0 JJADRN CC1CCN(C(=S)SCC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001459531351 1067346197 /nfs/dbraw/zinc/34/61/97/1067346197.db2.gz VDCUWFTWDDEFMY-UHFFFAOYSA-N 0 0 455.487 4.905 20 0 JJADRN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1 ZINC001459531312 1067346300 /nfs/dbraw/zinc/34/63/00/1067346300.db2.gz TVZJEODTVJXQSR-MHZLTWQESA-N 0 0 452.570 4.714 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCSc1ccccc1Br)C(C)(C)C ZINC001459531288 1067346361 /nfs/dbraw/zinc/34/63/61/1067346361.db2.gz YJFHWVCLGZTEHX-MRXNPFEDSA-N 0 0 459.450 4.987 20 0 JJADRN Cn1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc2cc(C(F)(F)F)ccc21 ZINC001459532914 1067346677 /nfs/dbraw/zinc/34/66/77/1067346677.db2.gz ZCXQVLSANOHGEJ-SFHVURJKSA-N 0 0 453.505 4.963 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C2CC2)c(OC)c1 ZINC001459534020 1067347175 /nfs/dbraw/zinc/34/71/75/1067347175.db2.gz VPIJBOGTADVZJG-SLFFLAALSA-N 0 0 452.595 4.758 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC001459547518 1067348950 /nfs/dbraw/zinc/34/89/50/1067348950.db2.gz HRJQBDMRWQACJG-UHFFFAOYSA-N 0 0 451.398 4.601 20 0 JJADRN COc1ccc(C(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c(OC(C)C)c1 ZINC001459550844 1067349041 /nfs/dbraw/zinc/34/90/41/1067349041.db2.gz RJSJMIFUZOPYPE-UHFFFAOYSA-N 0 0 453.366 4.568 20 0 JJADRN CCC(CC)(NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)OC ZINC001459551084 1067349091 /nfs/dbraw/zinc/34/90/91/1067349091.db2.gz SJGKETCRBXPEAN-UHFFFAOYSA-N 0 0 459.999 4.678 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001459553077 1067349964 /nfs/dbraw/zinc/34/99/64/1067349964.db2.gz ZEFVGDSMBHSGBD-HOTGVXAUSA-N 0 0 459.295 4.679 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(F)cc1F ZINC001459555745 1067350257 /nfs/dbraw/zinc/35/02/57/1067350257.db2.gz KQOILDMHNHOWJR-WMZOPIPTSA-N 0 0 452.782 4.744 20 0 JJADRN CC(C)c1ncc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cn1 ZINC001459558838 1067350790 /nfs/dbraw/zinc/35/07/90/1067350790.db2.gz YGBRCQOVOGUDHO-UHFFFAOYSA-N 0 0 455.301 4.960 20 0 JJADRN COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1SC ZINC001459558552 1067351037 /nfs/dbraw/zinc/35/10/37/1067351037.db2.gz JQGMTYJTOLROEF-LMKMVOKYSA-N 0 0 456.608 4.961 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1=O ZINC001459559157 1067351270 /nfs/dbraw/zinc/35/12/70/1067351270.db2.gz WUKLZZVDRCTINL-DJJJIMSYSA-N 0 0 458.839 4.569 20 0 JJADRN C[C@@H]1CN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@H](C(F)(F)F)O1 ZINC001459559633 1067351346 /nfs/dbraw/zinc/35/13/46/1067351346.db2.gz HHTVXXPXMFMHKO-BDJLRTHQSA-N 0 0 456.262 4.804 20 0 JJADRN C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)[C@H](c2ccco2)C1 ZINC001459564954 1067352841 /nfs/dbraw/zinc/35/28/41/1067352841.db2.gz QGVJWJSGRRKXSL-VGSWGCGISA-N 0 0 456.539 4.663 20 0 JJADRN O=C(CN1CCSC[C@H]1c1ccc(Cl)cc1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459566046 1067353240 /nfs/dbraw/zinc/35/32/40/1067353240.db2.gz NSSYDKDQTHGPGI-IBGZPJMESA-N 0 0 458.933 4.644 20 0 JJADRN O=C(c1cc(F)cc(N2CCOCC2)c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001459568413 1067354389 /nfs/dbraw/zinc/35/43/89/1067354389.db2.gz JJGYHHHZGQHKJV-UHFFFAOYSA-N 0 0 454.439 4.782 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)C1 ZINC001459569486 1067354467 /nfs/dbraw/zinc/35/44/67/1067354467.db2.gz IEAIQALDWKHCCQ-XMMPIXPASA-N 0 0 454.596 4.792 20 0 JJADRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C1 ZINC001459571315 1067355005 /nfs/dbraw/zinc/35/50/05/1067355005.db2.gz KQRQBPSCTCOJQG-RUZDIDTESA-N 0 0 451.498 4.594 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC001459573535 1067355236 /nfs/dbraw/zinc/35/52/36/1067355236.db2.gz TUYLNPWSIRHYLL-OAQYLSRUSA-N 0 0 453.539 4.512 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001459573484 1067355373 /nfs/dbraw/zinc/35/53/73/1067355373.db2.gz WPDUUIFDQJHJQH-UHFFFAOYSA-N 0 0 457.393 4.879 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)ccc21 ZINC001459576730 1067355767 /nfs/dbraw/zinc/35/57/67/1067355767.db2.gz HZZNMXPGGUDLHB-YADHBBJMSA-N 0 0 451.542 4.981 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001459576184 1067355775 /nfs/dbraw/zinc/35/57/75/1067355775.db2.gz WXCDHRCYFWUZGJ-UHFFFAOYSA-N 0 0 459.468 4.794 20 0 JJADRN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@H](CCO)c1ccccc1 ZINC001459581010 1067356678 /nfs/dbraw/zinc/35/66/78/1067356678.db2.gz BMQGOPNVNKXVQU-HSZRJFAPSA-N 0 0 451.954 4.586 20 0 JJADRN O=C(Nc1cc(Cl)c(Cl)cc1F)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001459583206 1067357121 /nfs/dbraw/zinc/35/71/21/1067357121.db2.gz FJCODAFNERMYPT-UHFFFAOYSA-N 0 0 451.734 4.823 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001459588656 1067358432 /nfs/dbraw/zinc/35/84/32/1067358432.db2.gz YNRHEPVWUUZLJR-TYPHKJRUSA-N 0 0 457.368 4.613 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)CN(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594299 1067359529 /nfs/dbraw/zinc/35/95/29/1067359529.db2.gz MENAIZXGTBZKHY-REWPJTCUSA-N 0 0 450.620 4.771 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC001459594164 1067359561 /nfs/dbraw/zinc/35/95/61/1067359561.db2.gz YIZUEGRVNGMPNZ-QFIPXVFZSA-N 0 0 454.954 4.728 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C(=O)N(C)C(C)C ZINC001459595050 1067359606 /nfs/dbraw/zinc/35/96/06/1067359606.db2.gz FKCZUCMJHSNYND-UHFFFAOYSA-N 0 0 455.514 4.528 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N(C)[C@H](C)c3cccc(N4CCOC4=O)c3)cc2s1 ZINC001459593694 1067359685 /nfs/dbraw/zinc/35/96/85/1067359685.db2.gz NANBJTGISVMDOV-CQSZACIVSA-N 0 0 458.609 4.994 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)cn2)C[C@H](C)O1 ZINC001459596282 1067359823 /nfs/dbraw/zinc/35/98/23/1067359823.db2.gz URWAEFQWKADRBK-IYBDPMFKSA-N 0 0 454.571 4.874 20 0 JJADRN COc1cc(Br)c(C(=O)Nc2cc3c(cc2Br)CCC3)cc1OC ZINC001459595644 1067359897 /nfs/dbraw/zinc/35/98/97/1067359897.db2.gz YMQIXKDVPOYOLI-UHFFFAOYSA-N 0 0 455.146 4.970 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CC1 ZINC001459595132 1067359966 /nfs/dbraw/zinc/35/99/66/1067359966.db2.gz QRFVZBSXDWNWEZ-UHFFFAOYSA-N 0 0 457.456 4.626 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)c(C)c2c1 ZINC001459600691 1067360659 /nfs/dbraw/zinc/36/06/59/1067360659.db2.gz YCXOZJUZNHNMPH-UHFFFAOYSA-N 0 0 454.954 4.683 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604897 1067361123 /nfs/dbraw/zinc/36/11/23/1067361123.db2.gz CGVBMXFTDKEFBQ-LJQANCHMSA-N 0 0 456.681 4.800 20 0 JJADRN CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)no1 ZINC001459605210 1067361209 /nfs/dbraw/zinc/36/12/09/1067361209.db2.gz NOCFGQYOTCTDEK-SFHVURJKSA-N 0 0 453.568 4.673 20 0 JJADRN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](CO)c1c(F)cccc1F ZINC001546110381 1067361266 /nfs/dbraw/zinc/36/12/66/1067361266.db2.gz XVPZFGFDVFVONF-YVEFUNNKSA-N 0 0 452.910 4.745 20 0 JJADRN CCn1cc(CN(C)CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)cn1 ZINC001459605157 1067361289 /nfs/dbraw/zinc/36/12/89/1067361289.db2.gz YHGOAQFPWZRMKD-UHFFFAOYSA-N 0 0 456.594 4.751 20 0 JJADRN O=C(CN1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604637 1067361335 /nfs/dbraw/zinc/36/13/35/1067361335.db2.gz SYHKUYBROVSCGT-DEOSSOPVSA-N 0 0 457.574 4.601 20 0 JJADRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCc1ncc(C(F)(F)F)s1 ZINC001459606397 1067361557 /nfs/dbraw/zinc/36/15/57/1067361557.db2.gz BEFFOPAHXWZCLS-FQEVSTJZSA-N 0 0 450.482 4.742 20 0 JJADRN CC1(C)C[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c2cc(Br)ccc2O1 ZINC001459611021 1067363339 /nfs/dbraw/zinc/36/33/39/1067363339.db2.gz SWZRYZIDEUSAID-QUCCMNQESA-N 0 0 458.352 4.899 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC001459610295 1067363352 /nfs/dbraw/zinc/36/33/52/1067363352.db2.gz AAQYNYNWQNERGA-QGZVFWFLSA-N 0 0 451.386 4.771 20 0 JJADRN CCc1c(C(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nnn1Cc1ccccc1 ZINC001459615402 1067364917 /nfs/dbraw/zinc/36/49/17/1067364917.db2.gz JHSNYBRCAYDEKH-QGZVFWFLSA-N 0 0 450.539 4.694 20 0 JJADRN CC1(C)NC(=O)N(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)C1=O ZINC001459620628 1067366548 /nfs/dbraw/zinc/36/65/48/1067366548.db2.gz WLMIAQIYBKBWJJ-UHFFFAOYSA-N 0 0 459.468 4.991 20 0 JJADRN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1nnnn1-c1ccccc1Br ZINC001459629797 1067368363 /nfs/dbraw/zinc/36/83/63/1067368363.db2.gz TXADSTLLBMPZDO-LLVKDONJSA-N 0 0 453.171 4.851 20 0 JJADRN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001459631417 1067368960 /nfs/dbraw/zinc/36/89/60/1067368960.db2.gz ZDNJEGVWYSEGQI-LLVKDONJSA-N 0 0 453.167 4.883 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001546110639 1067368983 /nfs/dbraw/zinc/36/89/83/1067368983.db2.gz HFYYFMOUENLDPN-UHFFFAOYSA-N 0 0 495.672 4.790 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001546110643 1067369118 /nfs/dbraw/zinc/36/91/18/1067369118.db2.gz HKSOSBIKNIMONP-DEOSSOPVSA-N 0 0 454.018 4.842 20 0 JJADRN Cc1nc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc1Cc1c(F)cccc1F ZINC001459635178 1067369246 /nfs/dbraw/zinc/36/92/46/1067369246.db2.gz AKVNBJSXHXRMOU-UHFFFAOYSA-N 0 0 450.532 4.755 20 0 JJADRN Cc1nc(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)sc1Cc1ccc(F)cc1F ZINC001459637371 1067369740 /nfs/dbraw/zinc/36/97/40/1067369740.db2.gz LIUCKYVZPLMDGI-UHFFFAOYSA-N 0 0 453.518 4.699 20 0 JJADRN COc1ccc([C@H](CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)NC(C)=O)cc1 ZINC001459639674 1067370407 /nfs/dbraw/zinc/37/04/07/1067370407.db2.gz UJLQTKZMZHNPCO-FQEVSTJZSA-N 0 0 459.518 4.535 20 0 JJADRN CN(C[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)OC(C)(C)C ZINC001459642867 1067370684 /nfs/dbraw/zinc/37/06/84/1067370684.db2.gz HKDJXVSAGGDZNV-KRWDZBQOSA-N 0 0 454.596 4.895 20 0 JJADRN CC(C)Cn1ncc(C(=O)NCc2ccc(Cl)cc2I)c1C1CC1 ZINC001459642957 1067370727 /nfs/dbraw/zinc/37/07/27/1067370727.db2.gz HRLGNVMGDWIDLI-UHFFFAOYSA-N 0 0 457.743 4.605 20 0 JJADRN O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC001459647614 1067371217 /nfs/dbraw/zinc/37/12/17/1067371217.db2.gz JXCIDZLTIMFOEM-LJQANCHMSA-N 0 0 450.482 4.821 20 0 JJADRN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001459649225 1067371855 /nfs/dbraw/zinc/37/18/55/1067371855.db2.gz DQWFIVRYKHCUCT-RBUKOAKNSA-N 0 0 458.599 4.889 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(F)c(Br)cc2Cl)CC1=O ZINC001459652768 1067372323 /nfs/dbraw/zinc/37/23/23/1067372323.db2.gz OXKNXGYAPOICLR-NSHDSACASA-N 0 0 455.711 4.632 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(F)c(Br)cc2Cl)CC1=O ZINC001459652759 1067372423 /nfs/dbraw/zinc/37/24/23/1067372423.db2.gz OXKNXGYAPOICLR-LLVKDONJSA-N 0 0 455.711 4.632 20 0 JJADRN COc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC001459654382 1067372498 /nfs/dbraw/zinc/37/24/98/1067372498.db2.gz VSDCBRXUFPODCS-MRXNPFEDSA-N 0 0 454.523 4.535 20 0 JJADRN COc1ccc(-c2cc(C(=O)N[C@H](c3ccc(C)cc3)[C@@H](C)S(C)(=O)=O)sc2C)cc1 ZINC001459653749 1067372705 /nfs/dbraw/zinc/37/27/05/1067372705.db2.gz JSNCPWSVSGKDEV-HXOBKFHXSA-N 0 0 457.617 4.945 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC001459657931 1067372820 /nfs/dbraw/zinc/37/28/20/1067372820.db2.gz NUBVHAAJEBUJSL-CLOONOSVSA-N 0 0 451.588 4.965 20 0 JJADRN CCOc1ccccc1-c1cccc(C(=O)N[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC001459657934 1067372845 /nfs/dbraw/zinc/37/28/45/1067372845.db2.gz NUBVHAAJEBUJSL-DFBJGRDBSA-N 0 0 451.588 4.965 20 0 JJADRN COc1cc(NC(=O)CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1 ZINC001459657425 1067373202 /nfs/dbraw/zinc/37/32/02/1067373202.db2.gz RVKIXBHSRNIDAA-UHFFFAOYSA-N 0 0 453.366 4.630 20 0 JJADRN CSc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)ccc1Br ZINC001459657181 1067373315 /nfs/dbraw/zinc/37/33/15/1067373315.db2.gz BFJYGESKYSPHGU-MRXNPFEDSA-N 0 0 457.434 4.984 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001546110847 1067374125 /nfs/dbraw/zinc/37/41/25/1067374125.db2.gz PZAIWFIOZUOCIB-UHFFFAOYSA-N 0 0 488.558 4.859 20 0 JJADRN Cc1ccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)CCC2)cc1C ZINC001459660823 1067374685 /nfs/dbraw/zinc/37/46/85/1067374685.db2.gz AKSNLYXSEDZXIQ-NRFANRHFSA-N 0 0 456.533 4.748 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 ZINC001546110878 1067374812 /nfs/dbraw/zinc/37/48/12/1067374812.db2.gz QWJPLUUWWWBOOT-RBBKRZOGSA-N 0 0 482.673 4.926 20 0 JJADRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)nc1 ZINC001459662165 1067374957 /nfs/dbraw/zinc/37/49/57/1067374957.db2.gz HDCFPZNZQZWEJN-UHFFFAOYSA-N 0 0 459.937 4.504 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)cc1 ZINC001459662674 1067375497 /nfs/dbraw/zinc/37/54/97/1067375497.db2.gz FMIQRJRWJIJXOC-UHFFFAOYSA-N 0 0 452.580 4.856 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)C1CCCC1 ZINC001459664379 1067375839 /nfs/dbraw/zinc/37/58/39/1067375839.db2.gz SOWNXTQXEARXDV-MOPGFXCFSA-N 0 0 451.405 4.679 20 0 JJADRN CC[C@@H](C)N(CC(=O)OC)C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1OC ZINC001459663725 1067375849 /nfs/dbraw/zinc/37/58/49/1067375849.db2.gz HHQQZLJOGVLMID-QGZVFWFLSA-N 0 0 452.551 4.585 20 0 JJADRN CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC(Nc2cccc(C)c2)CC1 ZINC001459664821 1067376170 /nfs/dbraw/zinc/37/61/70/1067376170.db2.gz CQEKYNDXKLBMIQ-SFHVURJKSA-N 0 0 452.418 4.703 20 0 JJADRN COc1cccc([C@H](O)CN(CC(=O)N(C2CC2)C2CCC(C)CC2)Cc2ccccc2)c1 ZINC001459665508 1067376212 /nfs/dbraw/zinc/37/62/12/1067376212.db2.gz AUJFWIDAHJFDJC-ZNHVGUMHSA-N 0 0 450.623 4.801 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001459664664 1067376435 /nfs/dbraw/zinc/37/64/35/1067376435.db2.gz AWTRDRYPKURBLS-RTWAWAEBSA-N 0 0 456.608 4.810 20 0 JJADRN CCCOc1cccc(CNC(=O)CN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001459664621 1067376465 /nfs/dbraw/zinc/37/64/65/1067376465.db2.gz BRPVNOSMBOHJRH-UHFFFAOYSA-N 0 0 453.583 4.743 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC001459668342 1067377644 /nfs/dbraw/zinc/37/76/44/1067377644.db2.gz CDHZHUWXVVKKLX-GOSISDBHSA-N 0 0 451.311 4.655 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(=O)C(C)C)C1 ZINC001546110992 1067378189 /nfs/dbraw/zinc/37/81/89/1067378189.db2.gz VFQLDGPZMQDHDQ-UHFFFAOYSA-N 0 0 450.631 4.529 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2)cc1C ZINC001459671300 1067379012 /nfs/dbraw/zinc/37/90/12/1067379012.db2.gz RYPPPBMCJWZPQF-GOSISDBHSA-N 0 0 458.628 4.615 20 0 JJADRN C[C@H](c1ccc(Cl)cc1)N(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1 ZINC001459674891 1067380093 /nfs/dbraw/zinc/38/00/93/1067380093.db2.gz DEFWZGKWWJMKBD-QGZVFWFLSA-N 0 0 458.027 4.693 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCc1csc(C(F)(F)F)n1 ZINC001459677637 1067381130 /nfs/dbraw/zinc/38/11/30/1067381130.db2.gz JTEPYSXMWXOTTN-LBPRGKRZSA-N 0 0 452.292 4.863 20 0 JJADRN Cc1cc(-n2cc(COC(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)nn2)ccc1F ZINC001459677561 1067381142 /nfs/dbraw/zinc/38/11/42/1067381142.db2.gz IOUQPTDIJLTZHO-UHFFFAOYSA-N 0 0 450.495 4.694 20 0 JJADRN O=c1[nH]c2ccc(N(Cc3ccccc3F)C[C@@H](O)c3ccccc3Br)cc2[nH]1 ZINC001459676870 1067381195 /nfs/dbraw/zinc/38/11/95/1067381195.db2.gz LMSVHDLXUJZHKX-OAQYLSRUSA-N 0 0 456.315 4.910 20 0 JJADRN CC(C)C(=O)Nc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001459679348 1067381377 /nfs/dbraw/zinc/38/13/77/1067381377.db2.gz BEOLJNHXWKXPEP-UHFFFAOYSA-N 0 0 450.457 4.615 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)C2)n(C)n1 ZINC001459678552 1067381662 /nfs/dbraw/zinc/38/16/62/1067381662.db2.gz NBXFVSSKFPDOLC-CQSZACIVSA-N 0 0 450.395 4.558 20 0 JJADRN Cc1ccc(C(C)C)c(OCCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC001459680018 1067381745 /nfs/dbraw/zinc/38/17/45/1067381745.db2.gz VZOSACRATVJQKT-HXUWFJFHSA-N 0 0 459.384 4.572 20 0 JJADRN CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3=O)CC2)cc1 ZINC001459680070 1067381757 /nfs/dbraw/zinc/38/17/57/1067381757.db2.gz XAHKWVWRVRHXED-HXUWFJFHSA-N 0 0 455.396 4.700 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)Nc2cc(-c3nc[nH]n3)ccc2F)nnc1-c1ccccc1 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ZINC001459719538 1067395237 /nfs/dbraw/zinc/39/52/37/1067395237.db2.gz ONPNQKGVPPTZAA-LJQANCHMSA-N 0 0 459.546 4.732 20 0 JJADRN COC(=O)c1cccc2c1CCCN2C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001459718861 1067395248 /nfs/dbraw/zinc/39/52/48/1067395248.db2.gz AUFMBUQLIGHNDS-LJQANCHMSA-N 0 0 454.567 4.543 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCOc4ccccc4[C@@H]3C)cc2)cc1 ZINC001459719075 1067395295 /nfs/dbraw/zinc/39/52/95/1067395295.db2.gz ONPNQKGVPPTZAA-IBGZPJMESA-N 0 0 459.546 4.732 20 0 JJADRN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(CSc2ccccn2)c1 ZINC001459723049 1067395755 /nfs/dbraw/zinc/39/57/55/1067395755.db2.gz LRXFQIRLOJXQDV-UHFFFAOYSA-N 0 0 453.011 4.788 20 0 JJADRN COCCOc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC001459725050 1067396595 /nfs/dbraw/zinc/39/65/95/1067396595.db2.gz ZKDNZTWMUQQHNM-UHFFFAOYSA-N 0 0 450.579 4.572 20 0 JJADRN O=C(CS(=O)(=O)Cc1cccc(Br)c1)N(c1ccsc1)C1CCCCC1 ZINC001459726951 1067397041 /nfs/dbraw/zinc/39/70/41/1067397041.db2.gz 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ZINC001459734446 1067398896 /nfs/dbraw/zinc/39/88/96/1067398896.db2.gz AQMYEMTTZQKYJG-SANMLTNESA-N 0 0 454.567 4.651 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCN(CC(=O)Nc2ccccc2)c2cc(C)cc(C)c2)c1 ZINC001459732511 1067399079 /nfs/dbraw/zinc/39/90/79/1067399079.db2.gz XYSZETOQPYHICA-UHFFFAOYSA-N 0 0 450.604 4.921 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN(Cc1ccccc1F)c1ccccc1F)OC2=O ZINC001459733520 1067399197 /nfs/dbraw/zinc/39/91/97/1067399197.db2.gz WEDYTXMSGOJCTQ-SFHVURJKSA-N 0 0 458.505 4.524 20 0 JJADRN O=C(Nc1cccc(N2CCC2=O)c1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001459733092 1067399212 /nfs/dbraw/zinc/39/92/12/1067399212.db2.gz ZLRBXMACNSSJHU-JOCHJYFZSA-N 0 0 451.320 4.945 20 0 JJADRN CCN(C(=O)c1cc(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)ccc1Cl)C(C)C ZINC001459736298 1067399684 /nfs/dbraw/zinc/39/96/84/1067399684.db2.gz PEGQJYJTMHTVAS-UHFFFAOYSA-N 0 0 453.974 4.589 20 0 JJADRN COC(=O)c1cc(F)cc(NC(=O)COc2ccc3ccccc3c2Br)c1F ZINC001459737627 1067400002 /nfs/dbraw/zinc/40/00/02/1067400002.db2.gz 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JJADRN O=C(CN(Cc1nnc(-c2cccc(F)c2)o1)Cc1ccccc1F)Nc1ccccc1F ZINC001459744170 1067403088 /nfs/dbraw/zinc/40/30/88/1067403088.db2.gz VXRPYXLJFFJNRK-UHFFFAOYSA-N 0 0 452.436 4.795 20 0 JJADRN COc1cc(OC)c(OC)cc1CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001459744552 1067403489 /nfs/dbraw/zinc/40/34/89/1067403489.db2.gz CKWHCZZWUOBZRI-UHFFFAOYSA-N 0 0 454.489 4.970 20 0 JJADRN C[C@@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c2cc(Cl)ccc2S1 ZINC001459745846 1067404011 /nfs/dbraw/zinc/40/40/11/1067404011.db2.gz IPCKTOPPBKKGQO-QGZVFWFLSA-N 0 0 458.027 4.583 20 0 JJADRN CCS(=O)(=O)c1ccc(CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC001459750798 1067405955 /nfs/dbraw/zinc/40/59/55/1067405955.db2.gz CCMKOUBLWVOIPK-UHFFFAOYSA-N 0 0 457.979 4.572 20 0 JJADRN O=C(/C=C\c1ccccc1OC(F)(F)F)Nc1ccnn1-c1ccc(Br)cn1 ZINC001459750123 1067405971 /nfs/dbraw/zinc/40/59/71/1067405971.db2.gz YITZJGQJJSYQAY-YVMONPNESA-N 0 0 453.218 4.580 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCc2c(F)cccc2OC(F)F)cc1 ZINC001459751824 1067406300 /nfs/dbraw/zinc/40/63/00/1067406300.db2.gz BKUCQSRSADNVPF-UHFFFAOYSA-N 0 0 454.452 4.767 20 0 JJADRN Cc1csc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1Br ZINC001459752642 1067406906 /nfs/dbraw/zinc/40/69/06/1067406906.db2.gz FUYGUZSOMZSNGZ-INIZCTEOSA-N 0 0 451.386 4.598 20 0 JJADRN Cc1c(C(=O)NCc2sccc2Br)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001459760747 1067411787 /nfs/dbraw/zinc/41/17/87/1067411787.db2.gz AFAIUIOQARKBAJ-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN Cc1ccc(-n2nc(Br)cc2C(=O)NCc2sccc2Br)cc1 ZINC001459761695 1067412506 /nfs/dbraw/zinc/41/25/06/1067412506.db2.gz IKEDTFMPCNHGRW-UHFFFAOYSA-N 0 0 455.175 4.697 20 0 JJADRN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1cc(F)c(Cl)cc1F ZINC001459763431 1067412886 /nfs/dbraw/zinc/41/28/86/1067412886.db2.gz NEZIJCXDAQBBSF-QKWWCAPFSA-N 0 0 453.316 4.982 20 0 JJADRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001459762890 1067412986 /nfs/dbraw/zinc/41/29/86/1067412986.db2.gz DVIJCKTVTRYLLX-UHFFFAOYSA-N 0 0 457.470 4.507 20 0 JJADRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001459766162 1067413436 /nfs/dbraw/zinc/41/34/36/1067413436.db2.gz RPPTVIPPNKILJX-QGZVFWFLSA-N 0 0 458.578 4.791 20 0 JJADRN Cc1cccc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1I ZINC001459768887 1067415097 /nfs/dbraw/zinc/41/50/97/1067415097.db2.gz XRUCXSNOXLNCEY-UHFFFAOYSA-N 0 0 453.280 4.818 20 0 JJADRN Cc1cc(C)cc(OCC(=O)N2CCN(Cc3oc4ccccc4c3Br)CC2)c1 ZINC001459773939 1067416061 /nfs/dbraw/zinc/41/60/61/1067416061.db2.gz REZOGTRHRFUDOW-UHFFFAOYSA-N 0 0 457.368 4.535 20 0 JJADRN Cc1cc(=O)c(C(=O)N(CC(F)F)c2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001459774097 1067416792 /nfs/dbraw/zinc/41/67/92/1067416792.db2.gz MSZURDCDRNYTTH-UHFFFAOYSA-N 0 0 455.358 4.611 20 0 JJADRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc2c(c(Br)c1)OCO2 ZINC001459778337 1067417693 /nfs/dbraw/zinc/41/76/93/1067417693.db2.gz GOWZMQYEEPSHDE-GFCCVEGCSA-N 0 0 457.143 4.517 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001459781870 1067418699 /nfs/dbraw/zinc/41/86/99/1067418699.db2.gz BEOOCCCKUGTYJF-UHFFFAOYSA-N 0 0 453.255 4.734 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(-c3ccccc3F)co2)c1 ZINC001459781434 1067418772 /nfs/dbraw/zinc/41/87/72/1067418772.db2.gz VVMIQASOVVZOAL-LJQANCHMSA-N 0 0 455.486 4.564 20 0 JJADRN Cc1cc(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)cnc1F ZINC001459782320 1067418884 /nfs/dbraw/zinc/41/88/84/1067418884.db2.gz FJDGFVWMDAOVBA-GOSISDBHSA-N 0 0 453.377 4.708 20 0 JJADRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001459782863 1067419377 /nfs/dbraw/zinc/41/93/77/1067419377.db2.gz LCHAEANEAATGPX-UIAACRFSSA-N 0 0 454.430 4.557 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001459782866 1067419586 /nfs/dbraw/zinc/41/95/86/1067419586.db2.gz LCHAEANEAATGPX-XPGWFJOJSA-N 0 0 454.430 4.557 20 0 JJADRN O=C(CCc1nccs1)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001459785356 1067421617 /nfs/dbraw/zinc/42/16/17/1067421617.db2.gz XLRGTFKKDZYPOK-KRWDZBQOSA-N 0 0 455.443 4.641 20 0 JJADRN COCC1(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)CCCC1 ZINC001459785548 1067421669 /nfs/dbraw/zinc/42/16/69/1067421669.db2.gz ZLVQQEWRVBLDIJ-IBGZPJMESA-N 0 0 456.446 4.759 20 0 JJADRN O=C(NCc1ccc(-c2ccco2)cc1F)c1cnc(Br)c(Br)c1 ZINC001459789165 1067422832 /nfs/dbraw/zinc/42/28/32/1067422832.db2.gz UVHDUNHBVJOHCD-UHFFFAOYSA-N 0 0 454.093 4.936 20 0 JJADRN COc1cc(NC(=O)CN2CCC(Sc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC001459788072 1067422907 /nfs/dbraw/zinc/42/29/07/1067422907.db2.gz NTEQGBMRDWNQNB-UHFFFAOYSA-N 0 0 450.988 4.561 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cnn1-c1cccc(Cl)c1 ZINC001459789868 1067423415 /nfs/dbraw/zinc/42/34/15/1067423415.db2.gz AGRAZNXHBYVVSB-OAHLLOKOSA-N 0 0 454.983 4.802 20 0 JJADRN CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C2 ZINC001459791228 1067424334 /nfs/dbraw/zinc/42/43/34/1067424334.db2.gz JQABFPYXIYMZNR-JOCHJYFZSA-N 0 0 455.396 4.762 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC)NC(C)=O ZINC001459792561 1067425616 /nfs/dbraw/zinc/42/56/16/1067425616.db2.gz XBKPIECJKJJWNR-HXUWFJFHSA-N 0 0 454.958 4.693 20 0 JJADRN CSc1nccnc1C(=O)OCc1cc(Br)c(Cl)c(Br)c1 ZINC001459793666 1067425979 /nfs/dbraw/zinc/42/59/79/1067425979.db2.gz CPUFQDYRPSATLD-UHFFFAOYSA-N 0 0 452.555 4.734 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC001459798206 1067428207 /nfs/dbraw/zinc/42/82/07/1067428207.db2.gz MTIWKQBIGVAQHF-AVRDEDQJSA-N 0 0 451.394 4.695 20 0 JJADRN CCC1(CC)CN([C@H](C)C(=O)Nc2sccc2C(N)=O)c2ccc(Br)cc21 ZINC001459797646 1067428299 /nfs/dbraw/zinc/42/82/99/1067428299.db2.gz OKJPJMOLBCXSTF-GFCCVEGCSA-N 0 0 450.402 4.515 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)=NN1c1ccccc1 ZINC001459802579 1067430280 /nfs/dbraw/zinc/43/02/80/1067430280.db2.gz SNXLDHHXHJXLCU-IBGZPJMESA-N 0 0 458.465 4.991 20 0 JJADRN O=C(Nc1ccnc2c(Cl)cc(Br)cc12)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001459801626 1067430324 /nfs/dbraw/zinc/43/03/24/1067430324.db2.gz BBEOARPNECSHRZ-AWEZNQCLSA-N 0 0 458.743 4.752 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001459804294 1067430761 /nfs/dbraw/zinc/43/07/61/1067430761.db2.gz ANQUXTJZSPZLLC-OAQYLSRUSA-N 0 0 452.427 4.907 20 0 JJADRN Cc1ccnc(OC2CCN(Cc3csc(CC(=O)Nc4cc(C)ccc4C)n3)CC2)c1 ZINC001459806555 1067431565 /nfs/dbraw/zinc/43/15/65/1067431565.db2.gz FYCSUQOPKIFZDY-UHFFFAOYSA-N 0 0 450.608 4.688 20 0 JJADRN COc1ccc([C@H](NCC(=O)NCc2ccccc2COc2ccccc2)C(F)(F)F)cc1 ZINC001459808873 1067432227 /nfs/dbraw/zinc/43/22/27/1067432227.db2.gz RNUBQYCDFBCUIN-DEOSSOPVSA-N 0 0 458.480 4.784 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC001459810528 1067432660 /nfs/dbraw/zinc/43/26/60/1067432660.db2.gz QPEMVUGPFIMOCC-STQMWFEESA-N 0 0 452.780 4.874 20 0 JJADRN Cc1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cs1 ZINC001459809324 1067432711 /nfs/dbraw/zinc/43/27/11/1067432711.db2.gz KAYBZCSFDDTNDL-INIZCTEOSA-N 0 0 455.605 4.791 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC001459810525 1067432726 /nfs/dbraw/zinc/43/27/26/1067432726.db2.gz QPEMVUGPFIMOCC-CHWSQXEVSA-N 0 0 452.780 4.874 20 0 JJADRN COC(=O)c1coc([C@@H](C)OC(=O)CCCCc2ccc(I)cc2)c1 ZINC001459812737 1067434356 /nfs/dbraw/zinc/43/43/56/1067434356.db2.gz QQYBHXZARSATJE-CYBMUJFWSA-N 0 0 456.276 4.688 20 0 JJADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001459813410 1067434980 /nfs/dbraw/zinc/43/49/80/1067434980.db2.gz WTFQNPOOXDSWAQ-UHFFFAOYSA-N 0 0 454.773 4.588 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)OCc3ncc(C(C)(C)C)s3)CC2=O)ccc1Br ZINC001459815638 1067435377 /nfs/dbraw/zinc/43/53/77/1067435377.db2.gz WWRATQFELRRCOE-ZDUSSCGKSA-N 0 0 451.386 4.608 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001459814702 1067435396 /nfs/dbraw/zinc/43/53/96/1067435396.db2.gz WORJFKQAYWYIBH-UYAOXDASSA-N 0 0 457.640 4.723 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1 ZINC001459816775 1067436080 /nfs/dbraw/zinc/43/60/80/1067436080.db2.gz IRUVDMMNVLWZTB-QHCPKHFHSA-N 0 0 457.574 4.777 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001459817737 1067436980 /nfs/dbraw/zinc/43/69/80/1067436980.db2.gz AQCIGWMYLAFMGZ-CTNGQTDRSA-N 0 0 456.562 4.710 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cs2)c1 ZINC001459818181 1067437181 /nfs/dbraw/zinc/43/71/81/1067437181.db2.gz POXNPJOBHKJHQH-OAQYLSRUSA-N 0 0 452.576 4.844 20 0 JJADRN CC(C)(NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Br ZINC001459818545 1067437622 /nfs/dbraw/zinc/43/76/22/1067437622.db2.gz QUDMAFWIZYMEHH-UHFFFAOYSA-N 0 0 459.306 4.531 20 0 JJADRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001459819999 1067437646 /nfs/dbraw/zinc/43/76/46/1067437646.db2.gz NCCWRWXFGIAGGF-HSZRJFAPSA-N 0 0 454.954 4.989 20 0 JJADRN O=S(=O)(NC1CCCC1)[C@@H]1CCCN([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819576 1067437663 /nfs/dbraw/zinc/43/76/63/1067437663.db2.gz OBTRZXMOINBCIW-PKTZIBPZSA-N 0 0 451.007 4.895 20 0 JJADRN COC(=O)[C@H](N[C@H](C)c1ccc(OC)cc1Br)c1ccccc1Br ZINC001459819148 1067437745 /nfs/dbraw/zinc/43/77/45/1067437745.db2.gz JMNNBYLNTZEUKN-PIGZYNQJSA-N 0 0 457.162 4.785 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001459820044 1067438306 /nfs/dbraw/zinc/43/83/06/1067438306.db2.gz NHOLPHIBRPTANA-LLVKDONJSA-N 0 0 452.407 4.590 20 0 JJADRN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3cccc(OCC(F)(F)F)n3)c2c1 ZINC001459820985 1067438381 /nfs/dbraw/zinc/43/83/81/1067438381.db2.gz BMSAGWPBTHYKOF-UHFFFAOYSA-N 0 0 452.436 4.871 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(S(=O)(=O)CC)cc1 ZINC001459821722 1067438682 /nfs/dbraw/zinc/43/86/82/1067438682.db2.gz RACFXQNFRWPWPT-NRFANRHFSA-N 0 0 454.558 4.990 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1C ZINC001459821088 1067438859 /nfs/dbraw/zinc/43/88/59/1067438859.db2.gz FDHDKUJNWFLNGR-FQEVSTJZSA-N 0 0 459.388 4.675 20 0 JJADRN CC(C)c1c(C(=O)NCc2cccc(OCC(F)(F)F)n2)cnn1-c1ccc(Cl)cc1 ZINC001459822541 1067439237 /nfs/dbraw/zinc/43/92/37/1067439237.db2.gz RQWRRVOUYTWXNL-UHFFFAOYSA-N 0 0 452.864 4.915 20 0 JJADRN COC(=O)Nc1cc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)ccc1F ZINC001459823104 1067439684 /nfs/dbraw/zinc/43/96/84/1067439684.db2.gz VDBAZUUZQFIYNZ-UHFFFAOYSA-N 0 0 450.308 4.642 20 0 JJADRN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001459828277 1067442273 /nfs/dbraw/zinc/44/22/73/1067442273.db2.gz RMTAJJYRZIXMLX-IRXDYDNUSA-N 0 0 450.564 4.552 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3cc(C)cc(C)c3)cc2)c1C(F)(F)F ZINC001459828831 1067442536 /nfs/dbraw/zinc/44/25/36/1067442536.db2.gz JHYCJNWYYYMXNJ-UHFFFAOYSA-N 0 0 459.468 4.957 20 0 JJADRN Cc1cc(C(=O)Oc2ccc(OCC(C)C)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001459829262 1067442644 /nfs/dbraw/zinc/44/26/44/1067442644.db2.gz URENEBZYOXITQX-UHFFFAOYSA-N 0 0 459.608 4.978 20 0 JJADRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001459829743 1067443258 /nfs/dbraw/zinc/44/32/58/1067443258.db2.gz XSCHJFBBDFVUNZ-OAQYLSRUSA-N 0 0 451.567 4.923 20 0 JJADRN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1cnc(Br)c(Br)c1 ZINC001459831792 1067444346 /nfs/dbraw/zinc/44/43/46/1067444346.db2.gz HCKPDKPONNFBLK-NSHDSACASA-N 0 0 456.031 4.779 20 0 JJADRN O=C(C[C@@H]1CCCN1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834913 1067445884 /nfs/dbraw/zinc/44/58/84/1067445884.db2.gz KFFAKZMTPDRYEI-IBGZPJMESA-N 0 0 458.331 4.799 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C1 ZINC001546112169 1067446460 /nfs/dbraw/zinc/44/64/60/1067446460.db2.gz GNEWFADUGNVNKV-MRXNPFEDSA-N 0 0 453.509 4.639 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001546112185 1067448576 /nfs/dbraw/zinc/44/85/76/1067448576.db2.gz HBJRUEYPAKQUCY-UHFFFAOYSA-N 0 0 467.658 4.973 20 0 JJADRN CN(Cc1cc(F)cc(F)c1)C(=O)c1cccn1-c1cccc(I)c1 ZINC001459841335 1067448591 /nfs/dbraw/zinc/44/85/91/1067448591.db2.gz JWVXEGSKEODEBT-UHFFFAOYSA-N 0 0 452.242 4.632 20 0 JJADRN CCc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3CC(=O)c3ccc(F)cc3)s2)cc1 ZINC001459841891 1067448650 /nfs/dbraw/zinc/44/86/50/1067448650.db2.gz QOTMTITWANWYJO-FQEVSTJZSA-N 0 0 452.555 4.729 20 0 JJADRN CCN(CC(N)=O)C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 ZINC001459842607 1067449643 /nfs/dbraw/zinc/44/96/43/1067449643.db2.gz NWEPJJXRODOHSU-PTNGSMBKSA-N 0 0 454.357 4.976 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842480 1067449644 /nfs/dbraw/zinc/44/96/44/1067449644.db2.gz UIZKWFQWUXIRPL-CQSZACIVSA-N 0 0 459.612 4.733 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnc2C)C1 ZINC001546112220 1067451446 /nfs/dbraw/zinc/45/14/46/1067451446.db2.gz IYRXVTHQEBNXGS-OYRHEFFESA-N 0 0 485.677 4.661 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)c2cccs2)C1 ZINC001546112215 1067451533 /nfs/dbraw/zinc/45/15/33/1067451533.db2.gz IRPVRHZVQIZBDY-DEOSSOPVSA-N 0 0 470.639 4.851 20 0 JJADRN COC(=O)c1c(Br)ccc(NC(=O)Cc2ccc(C)c(Br)c2)c1C ZINC001459846667 1067452048 /nfs/dbraw/zinc/45/20/48/1067452048.db2.gz ZVPOYSSZYRQYTO-UHFFFAOYSA-N 0 0 455.146 4.796 20 0 JJADRN Cc1ccc(-c2ccc(C)c(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2)o1 ZINC001459850249 1067455548 /nfs/dbraw/zinc/45/55/48/1067455548.db2.gz XECYXCHBUUHODK-UHFFFAOYSA-N 0 0 452.576 4.911 20 0 JJADRN COc1ccc(CN[C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)cc1Cl ZINC001459850403 1067455557 /nfs/dbraw/zinc/45/55/57/1067455557.db2.gz JTGCULXUSPFDKS-JOCHJYFZSA-N 0 0 459.011 4.775 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)N(Cc2cccc(Br)c2)CC2CC2)no1 ZINC001459850718 1067455667 /nfs/dbraw/zinc/45/56/67/1067455667.db2.gz QIAOTLGVCOVQBV-UHFFFAOYSA-N 0 0 456.340 4.772 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001459855984 1067459280 /nfs/dbraw/zinc/45/92/80/1067459280.db2.gz KAEDVECODUIQKX-PWRODBHTSA-N 0 0 456.533 4.983 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC001459857406 1067459963 /nfs/dbraw/zinc/45/99/63/1067459963.db2.gz OVKDMLNCUCLMTK-UHFFFAOYSA-N 0 0 454.976 4.999 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2ccc(Cn3ccnn3)cc2)C(F)(F)F)ccc1Br ZINC001459861278 1067461320 /nfs/dbraw/zinc/46/13/20/1067461320.db2.gz AQEVEEGVXUBJLJ-QGZVFWFLSA-N 0 0 454.246 4.858 20 0 JJADRN COC(=O)[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(C(F)(F)F)c1 ZINC001459860454 1067461377 /nfs/dbraw/zinc/46/13/77/1067461377.db2.gz WYQDEGSJERMYIN-VFNWGFHPSA-N 0 0 457.452 4.918 20 0 JJADRN Cc1cc([C@H](OC(=O)c2cnn(C)c2Br)C(F)(F)F)ccc1Br ZINC001459861801 1067461971 /nfs/dbraw/zinc/46/19/71/1067461971.db2.gz DJXDLYRJYJUEGL-NSHDSACASA-N 0 0 456.056 4.714 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CN(Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001459863272 1067462382 /nfs/dbraw/zinc/46/23/82/1067462382.db2.gz SSXIKCMHRCWUCF-UHFFFAOYSA-N 0 0 455.400 4.851 20 0 JJADRN Cc1cc([C@@H](OC(=O)c2ccc(S(C)(=O)=O)s2)C(F)(F)F)ccc1Br ZINC001459863469 1067462539 /nfs/dbraw/zinc/46/25/39/1067462539.db2.gz KFOFAIGNFGZSBW-CYBMUJFWSA-N 0 0 457.289 4.683 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN(Cc3ccc(OC)cc3)[C@H](CO)C(C)C)cs2)c1 ZINC001459866981 1067464640 /nfs/dbraw/zinc/46/46/40/1067464640.db2.gz ZUZKLSOKQFSROM-HSZRJFAPSA-N 0 0 454.592 4.624 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccnc2-c2ccccc2)cc1 ZINC001459868723 1067465759 /nfs/dbraw/zinc/46/57/59/1067465759.db2.gz OHFIUQJJILSVIH-UHFFFAOYSA-N 0 0 458.543 4.611 20 0 JJADRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001459870004 1067466925 /nfs/dbraw/zinc/46/69/25/1067466925.db2.gz MONXAPQFPXSFBO-INIZCTEOSA-N 0 0 453.402 4.724 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001459873574 1067468411 /nfs/dbraw/zinc/46/84/11/1067468411.db2.gz WFDKJULKNNWTGH-NVXWUHKLSA-N 0 0 450.004 4.838 20 0 JJADRN COc1ccc(NC(=O)c2c(Cl)nccc2C(F)(F)F)c(I)c1 ZINC001459874040 1067468855 /nfs/dbraw/zinc/46/88/55/1067468855.db2.gz OWJCCNVMMOUIOT-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN Cc1ccccc1Cc1noc(CN2CCC[C@H]2c2ccc(I)cc2)n1 ZINC001459874533 1067468961 /nfs/dbraw/zinc/46/89/61/1067468961.db2.gz QBLVEYBTXJRVIE-IBGZPJMESA-N 0 0 459.331 4.911 20 0 JJADRN O=C1[C@@H](N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC001459878194 1067470318 /nfs/dbraw/zinc/47/03/18/1067470318.db2.gz XZAWZTXHLSDFCA-RBUKOAKNSA-N 0 0 457.304 4.774 20 0 JJADRN COC1(CNC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CCC(c2ccccc2)CC1 ZINC001459878163 1067470357 /nfs/dbraw/zinc/47/03/57/1067470357.db2.gz AIUJQWPOXFDFHN-MZAKESMSSA-N 0 0 456.627 4.883 20 0 JJADRN COC1(CNC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CCC(c2ccccc2)CC1 ZINC001459878174 1067470372 /nfs/dbraw/zinc/47/03/72/1067470372.db2.gz AIUJQWPOXFDFHN-PYVLUYJOSA-N 0 0 456.627 4.883 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(Cc4cccc(F)c4)CC3)n2)cc1C ZINC001459879656 1067470738 /nfs/dbraw/zinc/47/07/38/1067470738.db2.gz GIDIMKJOHOGCTN-UHFFFAOYSA-N 0 0 452.599 4.631 20 0 JJADRN COC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CCC(c2ccccc2)CC1 ZINC001459880343 1067470826 /nfs/dbraw/zinc/47/08/26/1067470826.db2.gz KDRZOOVVPVGQRL-SANWMBSTSA-N 0 0 454.998 4.548 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H]3[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]3C)c2)c(C)c1 ZINC001459880509 1067471244 /nfs/dbraw/zinc/47/12/44/1067471244.db2.gz USKWRCSSSOZENC-WLENULPWSA-N 0 0 453.583 4.829 20 0 JJADRN COc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)c(I)c1 ZINC001459881000 1067471276 /nfs/dbraw/zinc/47/12/76/1067471276.db2.gz XOBAAFDVLMFSAR-UHFFFAOYSA-N 0 0 450.301 4.599 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001459880680 1067471288 /nfs/dbraw/zinc/47/12/88/1067471288.db2.gz WRLZBNIWCUWOKS-UHFFFAOYSA-N 0 0 459.917 4.891 20 0 JJADRN C[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC001459883121 1067472268 /nfs/dbraw/zinc/47/22/68/1067472268.db2.gz PPMOQICTEOXLKG-NRFANRHFSA-N 0 0 451.611 4.665 20 0 JJADRN CCS(=O)(=O)c1ccc2oc(CN[C@@H](COCc3ccccc3)c3ccccc3)nc2c1 ZINC001459885570 1067473096 /nfs/dbraw/zinc/47/30/96/1067473096.db2.gz RVDITRYMQODYDL-QHCPKHFHSA-N 0 0 450.560 4.669 20 0 JJADRN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001459888299 1067474160 /nfs/dbraw/zinc/47/41/60/1067474160.db2.gz IUVDDLXYHZJWHZ-UHFFFAOYSA-N 0 0 452.869 4.688 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cnc1Br)O[C@H](C)C2 ZINC001459889382 1067474722 /nfs/dbraw/zinc/47/47/22/1067474722.db2.gz HOZFIVJKHHXQJS-DGFSRKRXSA-N 0 0 451.748 4.962 20 0 JJADRN O=C(NC(C1CCC1)C1CCC1)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001459890256 1067475123 /nfs/dbraw/zinc/47/51/23/1067475123.db2.gz MAHDGJKUMLSEIX-KRWDZBQOSA-N 0 0 451.380 4.525 20 0 JJADRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001459890849 1067475198 /nfs/dbraw/zinc/47/51/98/1067475198.db2.gz RFZJIFRSBQJVSZ-GFCCVEGCSA-N 0 0 454.193 4.709 20 0 JJADRN CC[C@H](c1ccncc1)N(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC001459891231 1067475274 /nfs/dbraw/zinc/47/52/74/1067475274.db2.gz MOMRCJCLGFGAMX-RPLLCQBOSA-N 0 0 456.590 4.903 20 0 JJADRN CCOC(=O)CN(CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC001459891622 1067475620 /nfs/dbraw/zinc/47/56/20/1067475620.db2.gz OAEQSYRZPRXAJF-OFVILXPXSA-N 0 0 452.595 4.765 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001459891340 1067475678 /nfs/dbraw/zinc/47/56/78/1067475678.db2.gz SCSPDRBPWPAGQI-INIZCTEOSA-N 0 0 459.152 4.718 20 0 JJADRN O=C(Nc1cc(Cl)cnc1Br)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC001459891349 1067475800 /nfs/dbraw/zinc/47/58/00/1067475800.db2.gz SCSPDRBPWPAGQI-MRXNPFEDSA-N 0 0 459.152 4.718 20 0 JJADRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[C@H](c3nccn3C)C2)cc1 ZINC001459894112 1067476694 /nfs/dbraw/zinc/47/66/94/1067476694.db2.gz OATVUUMFKJZHIK-KRWDZBQOSA-N 0 0 454.958 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(F)c(F)cc2Br)CC2(CCC2)C1 ZINC001459895196 1067477240 /nfs/dbraw/zinc/47/72/40/1067477240.db2.gz JKFBXLDIRVLSIG-UHFFFAOYSA-N 0 0 459.331 4.571 20 0 JJADRN Clc1c(Br)cc(CN2CCN(Cc3ccncc3)CC2)cc1Br ZINC001459894444 1067477321 /nfs/dbraw/zinc/47/73/21/1067477321.db2.gz PHUZXXCEPAXVOV-UHFFFAOYSA-N 0 0 459.613 4.578 20 0 JJADRN COC(=O)c1cccc(-c2nc(CN(CCO)Cc3ccc(Cl)c(Cl)c3)cs2)c1 ZINC001459896168 1067477668 /nfs/dbraw/zinc/47/76/68/1067477668.db2.gz KUVBSSOHFGWSHL-UHFFFAOYSA-N 0 0 451.375 4.898 20 0 JJADRN CCOC(=O)CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccccc1 ZINC001459895384 1067477725 /nfs/dbraw/zinc/47/77/25/1067477725.db2.gz ZCRNXRSBJLFMIX-SFHVURJKSA-N 0 0 454.954 4.843 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)s1 ZINC001459896681 1067478140 /nfs/dbraw/zinc/47/81/40/1067478140.db2.gz NTPFUZPCFQXHBX-NWDGAFQWSA-N 0 0 455.411 4.609 20 0 JJADRN CCOc1cccc2cc([C@@H](C)NCc3nnc(C(=O)NCc4ccc(F)cc4)s3)oc21 ZINC001459899829 1067479264 /nfs/dbraw/zinc/47/92/64/1067479264.db2.gz HRSUYCHMHYTKSI-CQSZACIVSA-N 0 0 454.527 4.603 20 0 JJADRN Cc1cc(I)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC001459903049 1067481455 /nfs/dbraw/zinc/48/14/55/1067481455.db2.gz QUKLGXGSGOJCIH-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN Cc1cc(Br)c(NC(=O)CN[C@@H](C)c2cnn(C(C)C)c2)c(Br)c1 ZINC001459903441 1067481465 /nfs/dbraw/zinc/48/14/65/1067481465.db2.gz TYJAARWXWSYXBE-LBPRGKRZSA-N 0 0 458.198 4.587 20 0 JJADRN COc1cc2nc(CN[C@@H](C)c3sc(-c4ccc(C)cc4)nc3C)[nH]c(=O)c2cc1OC ZINC001459905840 1067483060 /nfs/dbraw/zinc/48/30/60/1067483060.db2.gz RQUGVZAAAQAFOY-AWEZNQCLSA-N 0 0 450.564 4.944 20 0 JJADRN Cn1ccc2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)o3)cc2c1=O ZINC001459907435 1067483585 /nfs/dbraw/zinc/48/35/85/1067483585.db2.gz QOKHFCRZABVINU-UHFFFAOYSA-N 0 0 453.292 4.725 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN[C@H](C)c3nc(-c4ccc(CC)cc4)no3)sc2c1 ZINC001459908460 1067484510 /nfs/dbraw/zinc/48/45/10/1067484510.db2.gz BPPAANMBNFSASW-CQSZACIVSA-N 0 0 451.552 4.597 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)n2)cc1 ZINC001459909612 1067485046 /nfs/dbraw/zinc/48/50/46/1067485046.db2.gz LRCJNCRAZNKKNY-GJZGRUSLSA-N 0 0 451.527 4.985 20 0 JJADRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001459911026 1067486249 /nfs/dbraw/zinc/48/62/49/1067486249.db2.gz FIXZYVXODPMAKD-CVEARBPZSA-N 0 0 455.393 4.512 20 0 JJADRN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001459911219 1067486259 /nfs/dbraw/zinc/48/62/59/1067486259.db2.gz MCRLKHNHKOEMIE-HTAPYJJXSA-N 0 0 452.530 4.597 20 0 JJADRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001459912029 1067486757 /nfs/dbraw/zinc/48/67/57/1067486757.db2.gz QVFOQDNAODQBRL-LJQANCHMSA-N 0 0 459.468 4.892 20 0 JJADRN O=C(Oc1ccc(SC(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001459911754 1067486904 /nfs/dbraw/zinc/48/69/04/1067486904.db2.gz TYNUUDPABKURAG-UHFFFAOYSA-N 0 0 458.417 4.709 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NCc2cccc(Br)c2OC(F)F)n1 ZINC001459912484 1067487311 /nfs/dbraw/zinc/48/73/11/1067487311.db2.gz SFPWATWYGMUIQD-LLVKDONJSA-N 0 0 454.271 4.960 20 0 JJADRN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459912582 1067487373 /nfs/dbraw/zinc/48/73/73/1067487373.db2.gz SPGZCVMZLDWCLV-AWEZNQCLSA-N 0 0 451.013 4.905 20 0 JJADRN CCNC(=O)c1cccc(NC(=O)CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459913098 1067487384 /nfs/dbraw/zinc/48/73/84/1067487384.db2.gz VTZPCJFWKHVPCT-AWEZNQCLSA-N 0 0 456.999 4.811 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)CN[C@@H](C)c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC001459912685 1067487394 /nfs/dbraw/zinc/48/73/94/1067487394.db2.gz UGITXOHUWPHAEO-IBGZPJMESA-N 0 0 450.558 4.706 20 0 JJADRN CNC(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)c1Br ZINC001459913981 1067487865 /nfs/dbraw/zinc/48/78/65/1067487865.db2.gz KPLMSFMUCVAYGW-UHFFFAOYSA-N 0 0 450.745 4.838 20 0 JJADRN NC(=O)c1ccc(-c2nc(CN3CC=C(c4cccc(Br)c4)CC3)cs2)cc1 ZINC001459915473 1067488315 /nfs/dbraw/zinc/48/83/15/1067488315.db2.gz VZJOCKMNFZKEOA-UHFFFAOYSA-N 0 0 454.393 4.961 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001459916449 1067488810 /nfs/dbraw/zinc/48/88/10/1067488810.db2.gz DAGSGBRDWZDHTH-GHTZIAJQSA-N 0 0 459.587 4.897 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001459916756 1067489448 /nfs/dbraw/zinc/48/94/48/1067489448.db2.gz DPPRAJMQJYGTFB-LRGNLBRXSA-N 0 0 463.416 4.802 20 0 JJADRN Cc1cccc(CCCNC(=O)CCCCCc2ccc(I)cc2)n1 ZINC001459918480 1067490404 /nfs/dbraw/zinc/49/04/04/1067490404.db2.gz JNNFUSISRSNWNL-UHFFFAOYSA-N 0 0 450.364 4.847 20 0 JJADRN Cc1sc2ncn(CCC(=O)N(C)[C@@H](C)Cc3ccccc3C(F)(F)F)c(=O)c2c1C ZINC001459918288 1067490465 /nfs/dbraw/zinc/49/04/65/1067490465.db2.gz BYLWNMWDIYXTKN-ZDUSSCGKSA-N 0 0 451.514 4.573 20 0 JJADRN Cc1ccc(NC(=O)CN2CCC[C@@H](C)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001459918110 1067490499 /nfs/dbraw/zinc/49/04/99/1067490499.db2.gz GYYCJKGKMWPLLH-LJQANCHMSA-N 0 0 455.624 4.512 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001459918794 1067490753 /nfs/dbraw/zinc/49/07/53/1067490753.db2.gz JNAFJLJHLLIDFE-XFAXYZQFSA-N 0 0 453.377 4.695 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001459918652 1067490827 /nfs/dbraw/zinc/49/08/27/1067490827.db2.gz INGCZLJUNWUACY-KRWDZBQOSA-N 0 0 458.933 4.690 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC001459920522 1067491220 /nfs/dbraw/zinc/49/12/20/1067491220.db2.gz FHCFWZKIRIGKIE-QWHCGFSZSA-N 0 0 451.350 4.735 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC001459919704 1067491279 /nfs/dbraw/zinc/49/12/79/1067491279.db2.gz JONZRZGEQTWPLQ-JIPXPUAJSA-N 0 0 456.586 4.961 20 0 JJADRN CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC001459922210 1067492728 /nfs/dbraw/zinc/49/27/28/1067492728.db2.gz OUMAYFLVMXHEDZ-MRXNPFEDSA-N 0 0 457.796 4.966 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC001459922205 1067492741 /nfs/dbraw/zinc/49/27/41/1067492741.db2.gz OUMAYFLVMXHEDZ-INIZCTEOSA-N 0 0 457.796 4.966 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(Br)ccc2OC)c(C)cc1Br ZINC001459923669 1067493322 /nfs/dbraw/zinc/49/33/22/1067493322.db2.gz KIAWEZSZMFYIBE-UHFFFAOYSA-N 0 0 457.118 4.568 20 0 JJADRN CCc1c(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)cnn1-c1ccc(C)cc1 ZINC001459925412 1067494282 /nfs/dbraw/zinc/49/42/82/1067494282.db2.gz PGZPZXKEBSDJCK-UHFFFAOYSA-N 0 0 456.340 4.853 20 0 JJADRN Cc1c(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)nnn1-c1cccc2cnccc21 ZINC001459925938 1067494340 /nfs/dbraw/zinc/49/43/40/1067494340.db2.gz QPHJQRIOLTULLU-HNNXBMFYSA-N 0 0 453.468 4.846 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001459933686 1067497358 /nfs/dbraw/zinc/49/73/58/1067497358.db2.gz SIAHSYYLLNPNLY-QHCPKHFHSA-N 0 0 451.611 4.937 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccnc(OC(F)F)c1 ZINC001459935268 1067498495 /nfs/dbraw/zinc/49/84/95/1067498495.db2.gz JJZBNYSLZOUOKJ-UHFFFAOYSA-N 0 0 452.255 4.593 20 0 JJADRN C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCC1 ZINC001459935138 1067498509 /nfs/dbraw/zinc/49/85/09/1067498509.db2.gz LICLLBJZTNTMJO-NRFANRHFSA-N 0 0 454.636 4.936 20 0 JJADRN CCCCCCN(C(=O)CN1CC[C@](O)(C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC001459942042 1067500640 /nfs/dbraw/zinc/50/06/40/1067500640.db2.gz WCZANYFPPBBPHH-OAQYLSRUSA-N 0 0 455.546 4.723 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)cc2)n1 ZINC001459943569 1067501023 /nfs/dbraw/zinc/50/10/23/1067501023.db2.gz GXAVFIJLGQZJKM-UGKGYDQZSA-N 0 0 452.942 4.595 20 0 JJADRN CC(C)c1noc(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)cc2)n1 ZINC001459943567 1067501030 /nfs/dbraw/zinc/50/10/30/1067501030.db2.gz GXAVFIJLGQZJKM-KNQAVFIVSA-N 0 0 452.942 4.595 20 0 JJADRN O=C(OC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC001459944346 1067501484 /nfs/dbraw/zinc/50/14/84/1067501484.db2.gz ZEGNNJKHUPKGJF-QXAKKESOSA-N 0 0 454.489 4.692 20 0 JJADRN COc1ccc(OC)c(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(C)(C)C)c1 ZINC001459945774 1067502385 /nfs/dbraw/zinc/50/23/85/1067502385.db2.gz QIYUYXSEPGTFPE-GOSISDBHSA-N 0 0 456.608 4.606 20 0 JJADRN CC(C)c1sc(NC(=O)CN2CCO[C@H](COc3ccccc3)C2)nc1-c1ccccc1 ZINC001459945934 1067502393 /nfs/dbraw/zinc/50/23/93/1067502393.db2.gz SZDXUZRBRAJCDK-NRFANRHFSA-N 0 0 451.592 4.652 20 0 JJADRN COCCC[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001459947977 1067503149 /nfs/dbraw/zinc/50/31/49/1067503149.db2.gz ZYUDOHYJUTXPLW-HXUWFJFHSA-N 0 0 453.970 4.652 20 0 JJADRN O=C(Cc1ccccc1Br)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC001459948691 1067503480 /nfs/dbraw/zinc/50/34/80/1067503480.db2.gz DIMNADYFJFQNNN-UHFFFAOYSA-N 0 0 453.159 4.911 20 0 JJADRN COc1ccccc1-c1nc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951359 1067504185 /nfs/dbraw/zinc/50/41/85/1067504185.db2.gz QCHZMQHZUGEYPF-NFBKMPQASA-N 0 0 457.933 4.983 20 0 JJADRN COc1ccccc1-c1nc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)co1 ZINC001459951371 1067504348 /nfs/dbraw/zinc/50/43/48/1067504348.db2.gz QCHZMQHZUGEYPF-OFNKIYASSA-N 0 0 457.933 4.983 20 0 JJADRN O=C(NCC1(c2ccc(Br)s2)CCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001459950733 1067504442 /nfs/dbraw/zinc/50/44/42/1067504442.db2.gz KHUYQUQIQZCIKM-QGZVFWFLSA-N 0 0 450.398 4.920 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 ZINC001459953500 1067505461 /nfs/dbraw/zinc/50/54/61/1067505461.db2.gz QVELKUYDJPEZJY-XHDPSFHLSA-N 0 0 457.353 4.814 20 0 JJADRN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001459955669 1067505824 /nfs/dbraw/zinc/50/58/24/1067505824.db2.gz IVKLDTNHLRODKA-KRWDZBQOSA-N 0 0 450.649 4.577 20 0 JJADRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)cc1 ZINC001459955615 1067505896 /nfs/dbraw/zinc/50/58/96/1067505896.db2.gz ATQCFWSWYKGUPL-MRXNPFEDSA-N 0 0 459.514 4.828 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC001459955795 1067506225 /nfs/dbraw/zinc/50/62/25/1067506225.db2.gz VNXIFLLXABFBLX-HOTGVXAUSA-N 0 0 452.509 4.912 20 0 JJADRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)Cc1c[nH]c(=O)c2ccccc12 ZINC001459959316 1067507743 /nfs/dbraw/zinc/50/77/43/1067507743.db2.gz PIHJGWNMKIINDT-GOSISDBHSA-N 0 0 457.368 4.893 20 0 JJADRN CCCCC[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC)C(C)C ZINC001459960692 1067508077 /nfs/dbraw/zinc/50/80/77/1067508077.db2.gz NKHQJTDOSUTOQG-YLJYHZDGSA-N 0 0 451.405 4.983 20 0 JJADRN Fc1ccc([C@H]2CN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)cc1Br ZINC001459961629 1067508438 /nfs/dbraw/zinc/50/84/38/1067508438.db2.gz OWFSQXYOGKJGSY-OXQOHEQNSA-N 0 0 453.739 4.808 20 0 JJADRN O=C(CN(CCO)C1CCC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC001459962107 1067508789 /nfs/dbraw/zinc/50/87/89/1067508789.db2.gz CRSYWNPNTABDAS-UHFFFAOYSA-N 0 0 456.011 4.844 20 0 JJADRN O=C(CN1CCO[C@H](c2ccc(F)cc2Cl)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459962073 1067508916 /nfs/dbraw/zinc/50/89/16/1067508916.db2.gz JKIIJAHNXLWMMK-QHCPKHFHSA-N 0 0 452.913 4.722 20 0 JJADRN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001459965751 1067510038 /nfs/dbraw/zinc/51/00/38/1067510038.db2.gz XGAFYKLFUPVHBA-RBUKOAKNSA-N 0 0 453.739 4.568 20 0 JJADRN CC(C)(CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)Oc1cc(F)cc(F)c1 ZINC001459970637 1067510672 /nfs/dbraw/zinc/51/06/72/1067510672.db2.gz GWERVNMIYUVYSR-UHFFFAOYSA-N 0 0 459.514 4.526 20 0 JJADRN COc1ccc(N=c2scc(CN3C[C@@H](O)CC(F)(F)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459975354 1067512147 /nfs/dbraw/zinc/51/21/47/1067512147.db2.gz YMAIJRCDYSHCNW-UTKZUKDTSA-N 0 0 459.562 4.602 20 0 JJADRN O=C(c1coc(-c2cccnc2)n1)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 ZINC001459975911 1067512567 /nfs/dbraw/zinc/51/25/67/1067512567.db2.gz UJLXUAKYYBQRKZ-UHFFFAOYSA-N 0 0 458.703 4.723 20 0 JJADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459977129 1067512867 /nfs/dbraw/zinc/51/28/67/1067512867.db2.gz XWTXZIRRMPIJFS-UHFFFAOYSA-N 0 0 455.376 4.530 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC001459977440 1067513273 /nfs/dbraw/zinc/51/32/73/1067513273.db2.gz QHPFRQWFLREPRO-UHFFFAOYSA-N 0 0 452.190 4.791 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)Nc2ccc3nccnc3c2Br)nc1 ZINC001459980889 1067514360 /nfs/dbraw/zinc/51/43/60/1067514360.db2.gz PNTCPBOGIVUXOI-UHFFFAOYSA-N 0 0 451.280 4.841 20 0 JJADRN Cc1sc(=O)n(CC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC001459979739 1067514378 /nfs/dbraw/zinc/51/43/78/1067514378.db2.gz USHWPQCYCYYJPJ-NRFANRHFSA-N 0 0 456.995 4.823 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001459981669 1067515080 /nfs/dbraw/zinc/51/50/80/1067515080.db2.gz BFPWCNKMIJTELW-MOPGFXCFSA-N 0 0 458.274 4.544 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)O[C@@H](C)c2cc(Br)cc3c2OCC3)c1C ZINC001459987340 1067516355 /nfs/dbraw/zinc/51/63/55/1067516355.db2.gz BCDMHVVEVWCPIG-AWEZNQCLSA-N 0 0 457.324 4.805 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)CC2)cc1Cl ZINC001459990686 1067517092 /nfs/dbraw/zinc/51/70/92/1067517092.db2.gz VWYMDJRDJWUUBQ-UHFFFAOYSA-N 0 0 455.965 4.708 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N(CCn1ccnc1)C1CCSCC1 ZINC001459990088 1067517111 /nfs/dbraw/zinc/51/71/11/1067517111.db2.gz IYHKIPNAPQZEIF-FPLPWBNLSA-N 0 0 450.608 4.658 20 0 JJADRN C[C@H](OC(=O)c1c(C(F)(F)F)nc2ccccn21)c1cc(Br)cc2c1OCC2 ZINC001459989973 1067517253 /nfs/dbraw/zinc/51/72/53/1067517253.db2.gz HYEUKJZKBHYZII-JTQLQIEISA-N 0 0 455.230 4.969 20 0 JJADRN CCc1ccc(N2CCN(C(=O)C(F)(F)c3ncccc3Br)CC2)cc1Cl ZINC001459990945 1067517515 /nfs/dbraw/zinc/51/75/15/1067517515.db2.gz YUXYFXPNAWTLFO-UHFFFAOYSA-N 0 0 458.734 4.501 20 0 JJADRN CN(Cc1cc(Br)cs1)C(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001459990187 1067517566 /nfs/dbraw/zinc/51/75/66/1067517566.db2.gz DVRRINNWZZTHRC-UHFFFAOYSA-N 0 0 455.368 4.927 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1c(F)cccc1F ZINC001459995221 1067518719 /nfs/dbraw/zinc/51/87/19/1067518719.db2.gz OBBJBPBGDLWDEF-OXQOHEQNSA-N 0 0 454.439 4.957 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC001459993340 1067518771 /nfs/dbraw/zinc/51/87/71/1067518771.db2.gz RUXVSZPOTWVVKF-UHFFFAOYSA-N 0 0 450.514 4.865 20 0 JJADRN CN(C)c1ccc(C2(C(=O)Nc3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001459995308 1067519052 /nfs/dbraw/zinc/51/90/52/1067519052.db2.gz XRIRLERLWZJGBB-UHFFFAOYSA-N 0 0 453.558 4.855 20 0 JJADRN O=C(N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC001459995806 1067519437 /nfs/dbraw/zinc/51/94/37/1067519437.db2.gz MGDTVQBZOHDLBR-MSOLQXFVSA-N 0 0 456.258 4.919 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001459996390 1067519516 /nfs/dbraw/zinc/51/95/16/1067519516.db2.gz KYZIZMRPYVSJKO-QFIPXVFZSA-N 0 0 455.530 4.599 20 0 JJADRN Cc1nc(Cn2nnc(NC(=O)c3ccc(C)cc3Sc3ccc(Cl)cc3)c2C)no1 ZINC001459997121 1067519879 /nfs/dbraw/zinc/51/98/79/1067519879.db2.gz RBCFJLUSZRPOCC-UHFFFAOYSA-N 0 0 454.943 4.692 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459996615 1067519987 /nfs/dbraw/zinc/51/99/87/1067519987.db2.gz SINSRUSIEDMMDJ-XMSQKQJNSA-N 0 0 456.505 4.623 20 0 JJADRN 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ZINC001460006933 1067524196 /nfs/dbraw/zinc/52/41/96/1067524196.db2.gz PKEZQRNYHOTWFP-LLVKDONJSA-N 0 0 451.919 4.559 20 0 JJADRN CO[C@H]1CC[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001460008627 1067525121 /nfs/dbraw/zinc/52/51/21/1067525121.db2.gz KXNJRBSFGPHURP-LEWJYISDSA-N 0 0 455.352 4.955 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC001460008267 1067525275 /nfs/dbraw/zinc/52/52/75/1067525275.db2.gz XCYPJAIIPPPJHJ-UHFFFAOYSA-N 0 0 458.328 4.591 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)OCc1cn(-c2ccccc2Br)nn1 ZINC001460008848 1067525315 /nfs/dbraw/zinc/52/53/15/1067525315.db2.gz WPXFZMUEMFXXQU-HNNXBMFYSA-N 0 0 452.308 4.694 20 0 JJADRN CCOC(=O)c1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(CC)cc2)cs1 ZINC001460010272 1067526090 /nfs/dbraw/zinc/52/60/90/1067526090.db2.gz FIACDQYFEWFTCV-FQEVSTJZSA-N 0 0 459.612 4.676 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccccc3F)no2)[C@H](c2cccc(F)c2)C1 ZINC001460010747 1067526119 /nfs/dbraw/zinc/52/61/19/1067526119.db2.gz 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ZINC001460073826 1067546829 /nfs/dbraw/zinc/54/68/29/1067546829.db2.gz DHFJTFBXJHDGFU-FUHWJXTLSA-N 0 0 458.274 4.665 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(I)c(Cl)cc2Cl)c1 ZINC001460075728 1067547657 /nfs/dbraw/zinc/54/76/57/1067547657.db2.gz GDFAJVUXKGDLCZ-MEDUHNTESA-N 0 0 462.114 4.893 20 0 JJADRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC001460077950 1067548139 /nfs/dbraw/zinc/54/81/39/1067548139.db2.gz FSSILFCMRLIMEL-GOSISDBHSA-N 0 0 451.355 4.831 20 0 JJADRN O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460084097 1067549780 /nfs/dbraw/zinc/54/97/80/1067549780.db2.gz LLSREYAYUMAHDC-KRWDZBQOSA-N 0 0 454.354 4.908 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)CCS1 ZINC001546113780 1067550598 /nfs/dbraw/zinc/55/05/98/1067550598.db2.gz KUIAMNOZEOMCPI-UHFFFAOYSA-N 0 0 471.597 4.609 20 0 JJADRN CCc1ccc(N2CCN(C[C@](C)(O)c3ccc(Br)cc3F)CC2)cc1Cl ZINC001460090095 1067551699 /nfs/dbraw/zinc/55/16/99/1067551699.db2.gz OJADHJRYFUOMJZ-NRFANRHFSA-N 0 0 455.799 4.834 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 ZINC001460091252 1067552191 /nfs/dbraw/zinc/55/21/91/1067552191.db2.gz UKENEURPQDMROH-LJQANCHMSA-N 0 0 450.992 4.582 20 0 JJADRN CC[C@@](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)(C(=O)OC)c1ccccc1 ZINC001460095119 1067553131 /nfs/dbraw/zinc/55/31/31/1067553131.db2.gz ATRBIRQRHZWGEX-VWLOTQADSA-N 0 0 451.592 4.509 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001460096376 1067553902 /nfs/dbraw/zinc/55/39/02/1067553902.db2.gz RWHDYNKMQJMKEY-NRFANRHFSA-N 0 0 450.585 4.722 20 0 JJADRN O=C(C/C=C\c1ccc(F)cc1)Nc1nc(C(F)(F)F)c(I)s1 ZINC001460100236 1067554814 /nfs/dbraw/zinc/55/48/14/1067554814.db2.gz MYFWMNXYYRYZQB-UPHRSURJSA-N 0 0 456.202 4.948 20 0 JJADRN O=C(C/C=C/c1ccc(F)cc1)Nc1nc(C(F)(F)F)c(I)s1 ZINC001460100234 1067554842 /nfs/dbraw/zinc/55/48/42/1067554842.db2.gz MYFWMNXYYRYZQB-OWOJBTEDSA-N 0 0 456.202 4.948 20 0 JJADRN CO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C12CCC2 ZINC001460098858 1067554859 /nfs/dbraw/zinc/55/48/59/1067554859.db2.gz FGNQECXTDWEVTJ-MYKSZAICSA-N 0 0 450.982 4.583 20 0 JJADRN COc1c(C)cc(C(=O)Nc2nc(C(F)(F)F)c(I)s2)cc1C ZINC001460101348 1067555226 /nfs/dbraw/zinc/55/52/26/1067555226.db2.gz SAESVFAQFWBBMC-UHFFFAOYSA-N 0 0 456.227 4.644 20 0 JJADRN CC(C)(C)c1nnc(NC(=O)CN[C@H](Cc2ccccc2)c2nc3ccccc3s2)s1 ZINC001460103617 1067555883 /nfs/dbraw/zinc/55/58/83/1067555883.db2.gz PAMOQUNLLWCVSC-QGZVFWFLSA-N 0 0 451.621 4.957 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001460103672 1067555908 /nfs/dbraw/zinc/55/59/08/1067555908.db2.gz FLGOKNCEWIXXDY-GMKZXUHWSA-N 0 0 452.620 4.691 20 0 JJADRN NC(=O)CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1CCOc2ccccc21 ZINC001460108786 1067556522 /nfs/dbraw/zinc/55/65/22/1067556522.db2.gz CRRGRQWCWJFYDW-MRXNPFEDSA-N 0 0 457.502 4.589 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CCS1 ZINC001546113929 1067556635 /nfs/dbraw/zinc/55/66/35/1067556635.db2.gz OXUNSPLOXNHIOD-FQEVSTJZSA-N 0 0 492.089 4.543 20 0 JJADRN COC(=O)c1sc(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)nc1C(C)C ZINC001460111630 1067557249 /nfs/dbraw/zinc/55/72/49/1067557249.db2.gz JZHVZQIVEFPZQZ-UHFFFAOYSA-N 0 0 454.577 4.844 20 0 JJADRN O=C(CN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001460111143 1067557395 /nfs/dbraw/zinc/55/73/95/1067557395.db2.gz QRESYMMMOWUCOF-XLIONFOSSA-N 0 0 459.434 4.989 20 0 JJADRN NC(=O)CCN(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)[C@H]1CCOc2ccccc21 ZINC001460113083 1067557655 /nfs/dbraw/zinc/55/76/55/1067557655.db2.gz RLUAAHCHVCMYKF-QFIPXVFZSA-N 0 0 450.922 4.974 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc4c(Br)ccnc34)cc2)C[C@H](C)O1 ZINC001460114117 1067558056 /nfs/dbraw/zinc/55/80/56/1067558056.db2.gz GSFDCRNRASQDHU-IYBDPMFKSA-N 0 0 454.368 4.859 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC001460113803 1067558073 /nfs/dbraw/zinc/55/80/73/1067558073.db2.gz KZQDSIOXVYFLMN-MOPGFXCFSA-N 0 0 473.839 4.997 20 0 JJADRN O=C(Nc1c(F)cccc1C(=O)OCc1ccccc1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001460114984 1067558371 /nfs/dbraw/zinc/55/83/71/1067558371.db2.gz KIJLXKYWTZHQKL-HXUWFJFHSA-N 0 0 454.404 4.593 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc4c(Br)ccnc34)c(C)c12 ZINC001460116740 1067558758 /nfs/dbraw/zinc/55/87/58/1067558758.db2.gz PUOYAJZAINARKK-UHFFFAOYSA-N 0 0 452.356 4.776 20 0 JJADRN O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001460118821 1067559032 /nfs/dbraw/zinc/55/90/32/1067559032.db2.gz IRGZGNIUPDREFO-OAQYLSRUSA-N 0 0 455.473 4.552 20 0 JJADRN O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(I)cc1Cl ZINC001460123742 1067559707 /nfs/dbraw/zinc/55/97/07/1067559707.db2.gz SPDAKGQEAHFOPD-GFCCVEGCSA-N 0 0 451.613 4.779 20 0 JJADRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc1 ZINC001460124595 1067559976 /nfs/dbraw/zinc/55/99/76/1067559976.db2.gz QQSOLDSXXZLAOO-XPKDYRNWSA-N 0 0 456.452 4.787 20 0 JJADRN CN(Cc1ncc(-c2ccc(Br)cc2)o1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001460124322 1067560122 /nfs/dbraw/zinc/56/01/22/1067560122.db2.gz ACWXSBXMUBZVDT-UHFFFAOYSA-N 0 0 450.377 4.983 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC001460126226 1067560595 /nfs/dbraw/zinc/56/05/95/1067560595.db2.gz BFZFOTPGOAKIID-ZFWWWQNUSA-N 0 0 457.361 4.584 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCSC[C@@H]1C1CC1 ZINC001460128061 1067560647 /nfs/dbraw/zinc/56/06/47/1067560647.db2.gz GTWVIQXJTZXQGB-HXUWFJFHSA-N 0 0 458.649 4.975 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1c(F)cccc1-n1cccn1)C1CCCCCC1 ZINC001460129696 1067560967 /nfs/dbraw/zinc/56/09/67/1067560967.db2.gz GPDWIVIQOYXLKR-IBGZPJMESA-N 0 0 458.578 4.739 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)C[C@@H](C)O1 ZINC001460131495 1067561333 /nfs/dbraw/zinc/56/13/33/1067561333.db2.gz PPJACXQXDWDECE-QZTJIDSGSA-N 0 0 451.567 4.803 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CCS1 ZINC001546114112 1067561699 /nfs/dbraw/zinc/56/16/99/1067561699.db2.gz VYTNUYBWJHCXSJ-UHFFFAOYSA-N 0 0 453.660 4.829 20 0 JJADRN COc1cccc2c1CN(C(=O)CCc1cc(Br)c(Br)s1)CC2 ZINC001460137095 1067562434 /nfs/dbraw/zinc/56/24/34/1067562434.db2.gz HLIBFAKRRJGOOS-UHFFFAOYSA-N 0 0 459.203 4.799 20 0 JJADRN CC(=O)N(c1nc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC001460147616 1067564859 /nfs/dbraw/zinc/56/48/59/1067564859.db2.gz HIQZDCRBXKRAOV-OALUTQOASA-N 0 0 456.656 4.912 20 0 JJADRN C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)Cc1ccccc1 ZINC001460148242 1067565149 /nfs/dbraw/zinc/56/51/49/1067565149.db2.gz ASMYTVRWYRLFGF-SFHVURJKSA-N 0 0 458.530 4.885 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)cc1 ZINC001460152050 1067565962 /nfs/dbraw/zinc/56/59/62/1067565962.db2.gz STWLZRQUVMWLMA-VSGBNLITSA-N 0 0 450.623 4.878 20 0 JJADRN CCOc1ccc(OCCCC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1 ZINC001460154048 1067566152 /nfs/dbraw/zinc/56/61/52/1067566152.db2.gz SJMYQZCIBRDQNH-SFHVURJKSA-N 0 0 455.505 4.517 20 0 JJADRN O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001460153317 1067566164 /nfs/dbraw/zinc/56/61/64/1067566164.db2.gz OPAUXERMWCYMLR-OAHLLOKOSA-N 0 0 452.288 4.645 20 0 JJADRN COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460164576 1067567989 /nfs/dbraw/zinc/56/79/89/1067567989.db2.gz IABQVCREORBFTG-SFHVURJKSA-N 0 0 456.505 4.643 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1C ZINC001460161972 1067568044 /nfs/dbraw/zinc/56/80/44/1067568044.db2.gz YNQUVEMZPWDEJY-OAQYLSRUSA-N 0 0 452.979 4.699 20 0 JJADRN COc1cc(OC)c(C[C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c(OC)c1 ZINC001460169401 1067569095 /nfs/dbraw/zinc/56/90/95/1067569095.db2.gz XBTPVUUWUVMBGY-HNNXBMFYSA-N 0 0 456.926 4.914 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169823 1067569186 /nfs/dbraw/zinc/56/91/86/1067569186.db2.gz IWZAFULOQWTUIQ-VWLOTQADSA-N 0 0 454.058 4.720 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)Cc3c(OC)cc(OC)cc3OC)s2)cc1 ZINC001460170796 1067569519 /nfs/dbraw/zinc/56/95/19/1067569519.db2.gz YPMAMGGTOSMWEY-CQSZACIVSA-N 0 0 456.564 4.514 20 0 JJADRN Cc1ccc(CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)C2CC2)o1 ZINC001460174819 1067570486 /nfs/dbraw/zinc/57/04/86/1067570486.db2.gz XTBRWQXTFGSPEV-DEOSSOPVSA-N 0 0 458.046 4.965 20 0 JJADRN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001460174317 1067570548 /nfs/dbraw/zinc/57/05/48/1067570548.db2.gz WJKWTDBXKWYJCZ-IERDGZPVSA-N 0 0 455.352 4.892 20 0 JJADRN C[C@@H](N[C@H](CO)c1ccc(Br)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC001460175596 1067571136 /nfs/dbraw/zinc/57/11/36/1067571136.db2.gz VLMWJKJOAMYOOG-JDNHERCYSA-N 0 0 450.135 4.545 20 0 JJADRN CC(C)(C)CC[C@@H](NC(=O)Cc1noc2ccc(Br)cc12)C(=O)OC(C)(C)C ZINC001460182482 1067573370 /nfs/dbraw/zinc/57/33/70/1067573370.db2.gz YIBQSFNCXDHZSV-OAHLLOKOSA-N 0 0 453.377 4.786 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184450 1067574164 /nfs/dbraw/zinc/57/41/64/1067574164.db2.gz XWVPOEQTKFUVAM-SIKLNZKXSA-N 0 0 451.567 4.749 20 0 JJADRN O=C(CN1C[C@H]2CCCCN2c2cc(Br)c(F)cc21)NCCC1CCCCC1 ZINC001460186138 1067574300 /nfs/dbraw/zinc/57/43/00/1067574300.db2.gz FKRJZHKKGDFZBI-QGZVFWFLSA-N 0 0 452.412 4.854 20 0 JJADRN COC[C@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(Cl)cc1 ZINC001460185012 1067574351 /nfs/dbraw/zinc/57/43/51/1067574351.db2.gz DMIMMQUILBYFDC-AWEZNQCLSA-N 0 0 455.839 4.844 20 0 JJADRN COc1c(F)cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1F ZINC001460186856 1067574537 /nfs/dbraw/zinc/57/45/37/1067574537.db2.gz IMEMQIYZYKYSFI-HNNXBMFYSA-N 0 0 459.276 4.532 20 0 JJADRN Cc1noc(-c2ccc(NC(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)cn2)n1 ZINC001460187373 1067574570 /nfs/dbraw/zinc/57/45/70/1067574570.db2.gz LUSVRRMKCYOHQU-UHFFFAOYSA-N 0 0 457.321 4.731 20 0 JJADRN COC(=O)c1ccc(F)c(CN2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)c1 ZINC001460187320 1067574601 /nfs/dbraw/zinc/57/46/01/1067574601.db2.gz HLKLJTMDVNZQEM-HNNXBMFYSA-N 0 0 451.311 4.893 20 0 JJADRN COC[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1ccc(Cl)cc1 ZINC001460188936 1067575025 /nfs/dbraw/zinc/57/50/25/1067575025.db2.gz QQZURUBVQBFGIH-ZDUSSCGKSA-N 0 0 455.292 4.672 20 0 JJADRN COc1ccc(NC(=O)CCN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197376 1067576936 /nfs/dbraw/zinc/57/69/36/1067576936.db2.gz PUFNKCOUZDPGFR-LJQANCHMSA-N 0 0 458.864 4.649 20 0 JJADRN O[C@H](Cc1ccccc1C(F)(F)F)CN1CCOc2c(Cl)cc(Br)cc21 ZINC001460198303 1067577316 /nfs/dbraw/zinc/57/73/16/1067577316.db2.gz SEOABJZVHARJLR-CYBMUJFWSA-N 0 0 450.682 4.924 20 0 JJADRN O[C@@H](Cc1ccccc1C(F)(F)F)CN1CCOc2c(Cl)cc(Br)cc21 ZINC001460198309 1067577332 /nfs/dbraw/zinc/57/73/32/1067577332.db2.gz SEOABJZVHARJLR-ZDUSSCGKSA-N 0 0 450.682 4.924 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC[C@@H]3CCO[C@H](C(C)C)C3)cc2Br)no1 ZINC001460198327 1067577381 /nfs/dbraw/zinc/57/73/81/1067577381.db2.gz CNWHGAICAMIAHC-QRWLVFNGSA-N 0 0 451.361 4.506 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2)NCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001460199884 1067577694 /nfs/dbraw/zinc/57/76/94/1067577694.db2.gz XBQMSRQFBNEEKE-JOCHJYFZSA-N 0 0 453.468 4.763 20 0 JJADRN NC(=O)c1c(NC(=O)CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)sc2c1CCCC2 ZINC001460200885 1067577890 /nfs/dbraw/zinc/57/78/90/1067577890.db2.gz XEEWCGFPRJJBTQ-LJQANCHMSA-N 0 0 452.407 4.712 20 0 JJADRN Cc1ccccc1Sc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)cc1 ZINC001546114565 1067578543 /nfs/dbraw/zinc/57/85/43/1067578543.db2.gz VRMZCIYXNVOYNA-UHFFFAOYSA-N 0 0 454.573 4.545 20 0 JJADRN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460207158 1067578857 /nfs/dbraw/zinc/57/88/57/1067578857.db2.gz IQFUNAXNCVIQJT-QOEFQVSFSA-N 0 0 477.527 4.814 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209039 1067579584 /nfs/dbraw/zinc/57/95/84/1067579584.db2.gz YDRDMTRNTCEAEV-PKOBYXMFSA-N 0 0 458.628 4.540 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC001460208659 1067579657 /nfs/dbraw/zinc/57/96/57/1067579657.db2.gz CSUJJLQYPFSHPM-SFHVURJKSA-N 0 0 450.398 4.653 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(F)c1 ZINC001460210033 1067580157 /nfs/dbraw/zinc/58/01/57/1067580157.db2.gz LHAUKKRICBZQSU-QHCPKHFHSA-N 0 0 456.901 4.501 20 0 JJADRN COC(=O)[C@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(F)c1 ZINC001460213890 1067581056 /nfs/dbraw/zinc/58/10/56/1067581056.db2.gz RHHXMOURJVCYJA-MRXNPFEDSA-N 0 0 454.112 4.882 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OCc1cn(CCc2ccccn2)nn1 ZINC001460214024 1067581064 /nfs/dbraw/zinc/58/10/64/1067581064.db2.gz BGJQHXVBUFHBSL-UHFFFAOYSA-N 0 0 458.305 4.543 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@H]2C)CCS1 ZINC001546114754 1067582176 /nfs/dbraw/zinc/58/21/76/1067582176.db2.gz FIWSQTFSGMUKEQ-CJAUYULYSA-N 0 0 474.671 4.625 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC001460219720 1067582695 /nfs/dbraw/zinc/58/26/95/1067582695.db2.gz GDPLWAHJNQLCGM-UHFFFAOYSA-N 0 0 453.982 4.742 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1=O ZINC001460220723 1067582748 /nfs/dbraw/zinc/58/27/48/1067582748.db2.gz VAJSSPZFHXFVLE-IBGZPJMESA-N 0 0 458.961 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001460219679 1067582779 /nfs/dbraw/zinc/58/27/79/1067582779.db2.gz FOQRGCPIDZCVIC-QAPCUYQASA-N 0 0 456.505 4.737 20 0 JJADRN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC001460222121 1067583022 /nfs/dbraw/zinc/58/30/22/1067583022.db2.gz USFXNOWZFBQFRB-MRXNPFEDSA-N 0 0 457.571 4.730 20 0 JJADRN CCC1(CC)CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(F)cccc2F)CCS1 ZINC001546114828 1067583933 /nfs/dbraw/zinc/58/39/33/1067583933.db2.gz HYNUTUJYMLXCOX-VWLOTQADSA-N 0 0 494.652 4.952 20 0 JJADRN CC(C)c1cccc(O[C@H](C)C(=O)NCc2c(Br)cncc2Br)c1 ZINC001460227824 1067584220 /nfs/dbraw/zinc/58/42/20/1067584220.db2.gz PTCGCUWLWYRVQT-GFCCVEGCSA-N 0 0 456.178 4.814 20 0 JJADRN CC[C@H](C)c1ccccc1OCC(=O)NCc1c(Br)cncc1Br ZINC001460228061 1067584341 /nfs/dbraw/zinc/58/43/41/1067584341.db2.gz QTWODVHBXNEGDH-LBPRGKRZSA-N 0 0 456.178 4.815 20 0 JJADRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1ccccc1[S@@](=O)C(F)(F)F ZINC001460228369 1067584659 /nfs/dbraw/zinc/58/46/59/1067584659.db2.gz SDSCNBQYRDJHGK-ZBSNKRKSSA-N 0 0 450.251 4.633 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(-c3ccccc3F)no2)C[C@H]1c1cccc(F)c1 ZINC001460231613 1067585315 /nfs/dbraw/zinc/58/53/15/1067585315.db2.gz CTHDPPRFNXLECK-AZUAARDMSA-N 0 0 456.493 4.508 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncccc2C)CCS1 ZINC001546114945 1067585821 /nfs/dbraw/zinc/58/58/21/1067585821.db2.gz LXSGSBWVCDLSSP-UHFFFAOYSA-N 0 0 475.460 4.899 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCOC2)CCS1 ZINC001546114919 1067585917 /nfs/dbraw/zinc/58/59/17/1067585917.db2.gz KSBPONIPVFTVHI-SFHVURJKSA-N 0 0 460.644 4.501 20 0 JJADRN CCc1ccccc1OCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001460235126 1067586633 /nfs/dbraw/zinc/58/66/33/1067586633.db2.gz ZNKHUJSWSQSEPC-FYYLOGMGSA-N 0 0 470.585 4.924 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H](O)c2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001460236209 1067586851 /nfs/dbraw/zinc/58/68/51/1067586851.db2.gz VWIOXHODTCWIMS-CEWLAPEOSA-N 0 0 468.491 4.871 20 0 JJADRN CCn1c(SCC(=O)OCc2ccn(C(C)C)n2)nnc1-c1ccc(Cl)cc1Cl ZINC001460235822 1067586949 /nfs/dbraw/zinc/58/69/49/1067586949.db2.gz QLXHVLJGWPTGBI-UHFFFAOYSA-N 0 0 454.383 4.885 20 0 JJADRN Cc1ccc(Oc2ccccc2NC(=O)CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001460236828 1067587441 /nfs/dbraw/zinc/58/74/41/1067587441.db2.gz YKNADTGGCCINBR-SIKLNZKXSA-N 0 0 451.567 4.667 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(Br)cn3C)n2CCC2CCOCC2)CCS1 ZINC001546115016 1067589566 /nfs/dbraw/zinc/58/95/66/1067589566.db2.gz OSMISVLFFXNYHP-UHFFFAOYSA-N 0 0 496.519 4.975 20 0 JJADRN Cc1nc(CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)sc1Br ZINC001460243847 1067589812 /nfs/dbraw/zinc/58/98/12/1067589812.db2.gz WRHYLWPZBIMGRK-GOEBONIOSA-N 0 0 470.408 4.846 20 0 JJADRN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245128 1067589833 /nfs/dbraw/zinc/58/98/33/1067589833.db2.gz ZLOCTPHFPQNVGA-KFELQJHASA-N 0 0 481.612 4.875 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245143 1067589982 /nfs/dbraw/zinc/58/99/82/1067589982.db2.gz IJNZBHGZHMVQML-QZTJIDSGSA-N 0 0 458.183 4.527 20 0 JJADRN C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001460247266 1067590848 /nfs/dbraw/zinc/59/08/48/1067590848.db2.gz IYFJVTAZAMLACQ-QAPCUYQASA-N 0 0 451.323 4.700 20 0 JJADRN CC(C)(C)c1ncc(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)s1 ZINC001460251990 1067591563 /nfs/dbraw/zinc/59/15/63/1067591563.db2.gz QKZTWWJRNHMFLK-CQSZACIVSA-N 0 0 454.377 4.750 20 0 JJADRN CC(C)Cc1nc(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)cs1 ZINC001460252032 1067591940 /nfs/dbraw/zinc/59/19/40/1067591940.db2.gz QVKUGQGDRSVXAG-OAHLLOKOSA-N 0 0 454.377 4.651 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CCS1 ZINC001546115114 1067592564 /nfs/dbraw/zinc/59/25/64/1067592564.db2.gz SOKAZCPCNPOMSW-AUSIDOKSSA-N 0 0 468.733 4.574 20 0 JJADRN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC[C@H](CCO)CC1 ZINC001460259798 1067592879 /nfs/dbraw/zinc/59/28/79/1067592879.db2.gz VXIHCUFFEHRMOW-IBGZPJMESA-N 0 0 458.624 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC001460260798 1067592965 /nfs/dbraw/zinc/59/29/65/1067592965.db2.gz ALUJGNGAGUORIH-HNNXBMFYSA-N 0 0 458.921 4.985 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cccc(F)c2)CCS1 ZINC001546115156 1067593837 /nfs/dbraw/zinc/59/38/37/1067593837.db2.gz UUQBANPMBDGDNK-RUZDIDTESA-N 0 0 492.661 4.649 20 0 JJADRN Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)c2ccc(P(C)(C)=O)cc2)n1 ZINC001460270039 1067594503 /nfs/dbraw/zinc/59/45/03/1067594503.db2.gz APVXXTPTNLWGKU-UHFFFAOYSA-N 0 0 453.870 4.562 20 0 JJADRN O=C(OCc1ccc(OC(F)F)c(Br)c1)c1cc(Br)cnc1F ZINC001460270764 1067594563 /nfs/dbraw/zinc/59/45/63/1067594563.db2.gz FZBWDUSQIQQDRR-UHFFFAOYSA-N 0 0 455.024 4.704 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)C(C)(C)C)CCS1 ZINC001546115186 1067595002 /nfs/dbraw/zinc/59/50/02/1067595002.db2.gz VXKQCMFCPVGOEJ-UHFFFAOYSA-N 0 0 485.119 4.924 20 0 JJADRN CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H]2Cc2ccccc2Br)cc1 ZINC001460273361 1067595381 /nfs/dbraw/zinc/59/53/81/1067595381.db2.gz XFQMKEOPWZIKOA-OAQYLSRUSA-N 0 0 459.428 4.775 20 0 JJADRN CC(=O)N(c1nc(CN2CCO[C@@]3(CCSC3)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460275028 1067595721 /nfs/dbraw/zinc/59/57/21/1067595721.db2.gz GVYJAXHIWINYSJ-IBGZPJMESA-N 0 0 457.543 4.554 20 0 JJADRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001460280557 1067596954 /nfs/dbraw/zinc/59/69/54/1067596954.db2.gz BZJGJDOIACMKRN-AUSIDOKSSA-N 0 0 465.594 4.771 20 0 JJADRN CCCCCCN(C(=O)CN1CCO[C@]2(CCSC2)C1)c1nc(-c2ccccc2)cs1 ZINC001460280010 1067597196 /nfs/dbraw/zinc/59/71/96/1067597196.db2.gz XYZAEVZENYRKGN-XMMPIXPASA-N 0 0 459.681 4.931 20 0 JJADRN CCOC(=O)C(F)(F)[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccc1 ZINC001460281005 1067597586 /nfs/dbraw/zinc/59/75/86/1067597586.db2.gz BRAWCEGQMICGEL-HSZRJFAPSA-N 0 0 457.473 4.746 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)NC3(Cc4cccc(F)c4)CCOCC3)s2)c(F)c1 ZINC001460284168 1067598178 /nfs/dbraw/zinc/59/81/78/1067598178.db2.gz CZLOEHDOBHJUTE-UHFFFAOYSA-N 0 0 458.530 4.927 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1S(=O)(=O)C1CCCC1 ZINC001460284718 1067598245 /nfs/dbraw/zinc/59/82/45/1067598245.db2.gz GLFNPMJUNHEQNK-KDURUIRLSA-N 0 0 456.608 4.577 20 0 JJADRN C[C@@H]1CCCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)[C@@H]1C(=O)OC(C)(C)C ZINC001460287161 1067598820 /nfs/dbraw/zinc/59/88/20/1067598820.db2.gz QQDCKVMNMPPALG-VFNWGFHPSA-N 0 0 454.596 4.672 20 0 JJADRN Cc1ccc(NC(=O)Cc2ccc(F)c(Br)c2)cc1S(=O)(=O)C1CCCC1 ZINC001460287380 1067599316 /nfs/dbraw/zinc/59/93/16/1067599316.db2.gz QCELQUVFBXATDU-UHFFFAOYSA-N 0 0 454.361 4.794 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC001460287845 1067599329 /nfs/dbraw/zinc/59/93/29/1067599329.db2.gz RRXOIQIKSSUXHX-UHFFFAOYSA-N 0 0 457.880 4.789 20 0 JJADRN C[C@@H]1[C@H](C)N(CC(=O)N(Cc2ccccc2)c2ccccc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460294741 1067600650 /nfs/dbraw/zinc/60/06/50/1067600650.db2.gz GLITXWKXIWFYHK-FDFHNCONSA-N 0 0 451.611 4.938 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001460297883 1067600858 /nfs/dbraw/zinc/60/08/58/1067600858.db2.gz OQRULHFOLNMTEM-QLFBSQMISA-N 0 0 454.402 4.792 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)nn1-c1ccccc1Cl ZINC001460299858 1067601335 /nfs/dbraw/zinc/60/13/35/1067601335.db2.gz XUGWTGCVCVTEDN-UHFFFAOYSA-N 0 0 456.934 4.502 20 0 JJADRN Cn1c(=O)c(COC(=O)c2c(F)ccc(C(F)(F)F)c2Br)cc2ccccc21 ZINC001460301736 1067602211 /nfs/dbraw/zinc/60/22/11/1067602211.db2.gz NQPXQJQPXUKHRK-UHFFFAOYSA-N 0 0 458.205 4.816 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)Oc2ccc3c(c2)nc(C)n3C)cs1 ZINC001460301492 1067602462 /nfs/dbraw/zinc/60/24/62/1067602462.db2.gz FJDTXCJOFMROEM-UHFFFAOYSA-N 0 0 458.337 4.996 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CC(=O)NCCCC2CCCCC2)[C@@H]1C(F)(F)F ZINC001460304646 1067603248 /nfs/dbraw/zinc/60/32/48/1067603248.db2.gz QYXKGUMHBJDASN-ICSRJNTNSA-N 0 0 463.585 4.631 20 0 JJADRN Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)nnn1Cc1ccncc1 ZINC001460305775 1067603787 /nfs/dbraw/zinc/60/37/87/1067603787.db2.gz ZXMJONVJQZDKJT-UHFFFAOYSA-N 0 0 457.321 4.563 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001460307550 1067604201 /nfs/dbraw/zinc/60/42/01/1067604201.db2.gz GCDDTRVKGDSCFE-GOTSBHOMSA-N 0 0 454.364 4.523 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(OC)CCOC2)CCS1 ZINC001546115126 1067605022 /nfs/dbraw/zinc/60/50/22/1067605022.db2.gz SXRJMFKLLHSJSJ-QFIPXVFZSA-N 0 0 481.062 4.525 20 0 JJADRN O=C(Cc1ccc(Br)s1)Nc1cc(Cl)ccc1I ZINC001460309361 1067605114 /nfs/dbraw/zinc/60/51/14/1067605114.db2.gz YFIOQVOOXJDBSY-UHFFFAOYSA-N 0 0 456.530 4.950 20 0 JJADRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460309921 1067605146 /nfs/dbraw/zinc/60/51/46/1067605146.db2.gz YQZVVGLJQVWOKL-VCOUNFBDSA-N 0 0 458.647 4.547 20 0 JJADRN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC001460314738 1067605816 /nfs/dbraw/zinc/60/58/16/1067605816.db2.gz WCRPVJWSMFFXAN-RLWLMLJZSA-N 0 0 457.014 4.731 20 0 JJADRN CO[C@H](C(=O)N[C@@H](C)c1ccc(F)c(Br)c1)c1ccc(Br)s1 ZINC001460320818 1067607606 /nfs/dbraw/zinc/60/76/06/1067607606.db2.gz OYEXZLQBTCXFIC-RTHLEPHNSA-N 0 0 451.155 4.977 20 0 JJADRN CS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C3CCCCC3)cc2)c1 ZINC001460325182 1067608567 /nfs/dbraw/zinc/60/85/67/1067608567.db2.gz XLPZSHATCFCGPS-UHFFFAOYSA-N 0 0 450.398 4.830 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cs1)c1ccc(C)cc1 ZINC001460325059 1067608574 /nfs/dbraw/zinc/60/85/74/1067608574.db2.gz GHOSOULUBYUWME-UXHICEINSA-N 0 0 458.628 4.918 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1)[C@H]1C[C@H]1C ZINC001460326064 1067608795 /nfs/dbraw/zinc/60/87/95/1067608795.db2.gz XDGSXERZVAMZEU-CMJOXMDJSA-N 0 0 458.555 4.556 20 0 JJADRN CCOC(=O)c1c(NC(=O)CN2C[C@@H](CC)OC[C@H]2C)sc(Cl)c1-c1ccccc1 ZINC001460332605 1067610000 /nfs/dbraw/zinc/61/00/00/1067610000.db2.gz BTJMZBVNSWPLSM-GDBMZVCRSA-N 0 0 450.988 4.683 20 0 JJADRN CC(C)c1n[nH]c(CC2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC001460332827 1067610495 /nfs/dbraw/zinc/61/04/95/1067610495.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 0 0 457.928 4.882 20 0 JJADRN O=C(CSc1ccccc1C(=O)NC/C=C/c1ccc(Br)cc1)N1CCCC1 ZINC001460339519 1067611476 /nfs/dbraw/zinc/61/14/76/1067611476.db2.gz HDGKKGSVTRELDO-AATRIKPKSA-N 0 0 459.409 4.607 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN3CCc4c(ccc(OC)c4OC)[C@@H]3CC)sc2c1 ZINC001460341798 1067611991 /nfs/dbraw/zinc/61/19/91/1067611991.db2.gz LIYCICHKXYGPOZ-IBGZPJMESA-N 0 0 455.580 4.660 20 0 JJADRN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341912 1067612379 /nfs/dbraw/zinc/61/23/79/1067612379.db2.gz SPOFCIINWCVWIN-NPMXOYFQSA-N 0 0 459.974 4.913 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)[C@H]1c1cccnc1 ZINC001460349944 1067614306 /nfs/dbraw/zinc/61/43/06/1067614306.db2.gz JRDAMVXVGYPAQI-OXJNMPFZSA-N 0 0 478.818 4.501 20 0 JJADRN CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC001460350507 1067614529 /nfs/dbraw/zinc/61/45/29/1067614529.db2.gz REPUHNDBOQWYQX-VQIMIIECSA-N 0 0 450.398 4.523 20 0 JJADRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC001460351263 1067615101 /nfs/dbraw/zinc/61/51/01/1067615101.db2.gz SFYVBHQGDDSUFA-SUMWQHHRSA-N 0 0 451.470 4.738 20 0 JJADRN CS(=O)(=O)c1ccc(NC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1 ZINC001460352672 1067615104 /nfs/dbraw/zinc/61/51/04/1067615104.db2.gz VGTCIHBKSTVMDE-IBGZPJMESA-N 0 0 451.331 4.551 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCCc2ccc(C(C)=O)cc2)cc1 ZINC001546115728 1067616330 /nfs/dbraw/zinc/61/63/30/1067616330.db2.gz RORFKJVLUSCQBT-UHFFFAOYSA-N 0 0 453.542 4.652 20 0 JJADRN O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001460355961 1067616407 /nfs/dbraw/zinc/61/64/07/1067616407.db2.gz FGNAAEHOYVKWCH-OAHLLOKOSA-N 0 0 452.889 4.946 20 0 JJADRN COc1ccc([C@@H]2CCN([C@@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359607 1067617832 /nfs/dbraw/zinc/61/78/32/1067617832.db2.gz GPEQMJLSHFRMHK-UVIMBBFXSA-N 0 0 460.418 4.710 20 0 JJADRN COC(=O)[C@@H]1CCN(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[C@H]2CCCC[C@@H]12 ZINC001460360396 1067618306 /nfs/dbraw/zinc/61/83/06/1067618306.db2.gz ICRKKNLRRPEQHQ-ZVDOUQERSA-N 0 0 455.624 4.728 20 0 JJADRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001460364897 1067619104 /nfs/dbraw/zinc/61/91/04/1067619104.db2.gz SMZGUGHAGVBZAZ-MHECFPHRSA-N 0 0 472.427 4.758 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CN(C)[C@H](C)CSc1ccccc1 ZINC001460370804 1067620488 /nfs/dbraw/zinc/62/04/88/1067620488.db2.gz YIPZTORDINKEGN-OAHLLOKOSA-N 0 0 454.377 4.651 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)CC1=O ZINC001460372026 1067620882 /nfs/dbraw/zinc/62/08/82/1067620882.db2.gz GRNDGEGXTYKZIS-TZIWHRDSSA-N 0 0 452.570 4.600 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccccc2OCc2cccs2)C1=O ZINC001460373976 1067620890 /nfs/dbraw/zinc/62/08/90/1067620890.db2.gz JOXJQIKCGNBYIP-VGSWGCGISA-N 0 0 452.551 4.948 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1=O ZINC001460374119 1067621249 /nfs/dbraw/zinc/62/12/49/1067621249.db2.gz JWIICOUORHTLFS-QRWLVFNGSA-N 0 0 450.476 4.991 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C1=O ZINC001460374107 1067621294 /nfs/dbraw/zinc/62/12/94/1067621294.db2.gz JWIICOUORHTLFS-FOIQADDNSA-N 0 0 450.476 4.991 20 0 JJADRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001460377739 1067622045 /nfs/dbraw/zinc/62/20/45/1067622045.db2.gz BCVCBLGXSPFECV-UHFFFAOYSA-N 0 0 459.590 4.556 20 0 JJADRN Cc1sc(Br)c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1C ZINC001460378241 1067622111 /nfs/dbraw/zinc/62/21/11/1067622111.db2.gz RXKSAOXUMFILRO-LRDDRELGSA-N 0 0 453.377 4.749 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001460379558 1067622591 /nfs/dbraw/zinc/62/25/91/1067622591.db2.gz BETNVPJJEKRQHN-UHFFFAOYSA-N 0 0 452.617 4.815 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001460382289 1067622819 /nfs/dbraw/zinc/62/28/19/1067622819.db2.gz JXLPAALZLDQMSV-OSPHWJPCSA-N 0 0 462.612 4.521 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001460385086 1067623294 /nfs/dbraw/zinc/62/32/94/1067623294.db2.gz RAJVPSBOSLQCSM-UHFFFAOYSA-N 0 0 459.583 4.910 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccc(Cl)nc1C(F)(F)F ZINC001460385674 1067623357 /nfs/dbraw/zinc/62/33/57/1067623357.db2.gz UIMJUJQPUGEJJR-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN CSCC1CCC(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 ZINC001460384040 1067623390 /nfs/dbraw/zinc/62/33/90/1067623390.db2.gz OQTGWSJQPAQEBZ-UHFFFAOYSA-N 0 0 456.637 4.717 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001460388234 1067623724 /nfs/dbraw/zinc/62/37/24/1067623724.db2.gz NBDMKJZWBYTPJR-UHFFFAOYSA-N 0 0 453.367 4.663 20 0 JJADRN O=C(CCCOc1cccc2ccccc21)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001460387005 1067623781 /nfs/dbraw/zinc/62/37/81/1067623781.db2.gz HWNIEWKGAYCALN-UHFFFAOYSA-N 0 0 453.560 4.590 20 0 JJADRN COC(=O)c1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC001460393113 1067625272 /nfs/dbraw/zinc/62/52/72/1067625272.db2.gz POZVKOOIMVFBKS-UHFFFAOYSA-N 0 0 456.498 4.776 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CSCCS2)CCS1 ZINC001546115979 1067626010 /nfs/dbraw/zinc/62/60/10/1067626010.db2.gz CFIQTRGHYVXJQB-KRWDZBQOSA-N 0 0 464.726 4.914 20 0 JJADRN C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1scc(Br)c1Br ZINC001460398060 1067626523 /nfs/dbraw/zinc/62/65/23/1067626523.db2.gz AIIQEWGYFPEHRD-GFCCVEGCSA-N 0 0 458.219 4.796 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001460396331 1067626599 /nfs/dbraw/zinc/62/65/99/1067626599.db2.gz LRDIVSUUYUKYKD-NNWRFLSQSA-N 0 0 455.396 4.640 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1 ZINC001460398469 1067626951 /nfs/dbraw/zinc/62/69/51/1067626951.db2.gz NBTRUXCPVIXTAO-HXUWFJFHSA-N 0 0 456.970 4.927 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC001460401295 1067627262 /nfs/dbraw/zinc/62/72/62/1067627262.db2.gz SQJQHDGMTMCNDQ-BGWNEDDSSA-N 0 0 454.636 4.872 20 0 JJADRN CCOC(=O)[C@@]1(F)CN([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC12CCC2 ZINC001460402869 1067627308 /nfs/dbraw/zinc/62/73/08/1067627308.db2.gz KUIQEKMGWKQVLG-CJAUYULYSA-N 0 0 456.583 4.922 20 0 JJADRN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001460403758 1067627568 /nfs/dbraw/zinc/62/75/68/1067627568.db2.gz GJDLSEPYPXLCEN-FCHUYYIVSA-N 0 0 478.614 4.628 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC001460405330 1067628118 /nfs/dbraw/zinc/62/81/18/1067628118.db2.gz QWXLLQKXCVMVAT-JTSKRJEESA-N 0 0 452.576 4.948 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001460404808 1067628201 /nfs/dbraw/zinc/62/82/01/1067628201.db2.gz WHZYSYGDIKLIRA-UNMCSNQZSA-N 0 0 454.998 4.901 20 0 JJADRN O=C(c1cc(Br)cnc1OCC1CC1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001460406402 1067628724 /nfs/dbraw/zinc/62/87/24/1067628724.db2.gz ZWIFXAOBGDYVHO-KRWDZBQOSA-N 0 0 451.748 4.580 20 0 JJADRN COc1ccc([C@H](NCC(=O)NCCOc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC001460406426 1067628797 /nfs/dbraw/zinc/62/87/97/1067628797.db2.gz ULLZYSLSCAGBGS-XMMPIXPASA-N 0 0 458.480 4.588 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2Cc2cnccc2OC)CCS1 ZINC001546116075 1067629671 /nfs/dbraw/zinc/62/96/71/1067629671.db2.gz GMIYAXNFMCEKCD-UHFFFAOYSA-N 0 0 453.612 4.518 20 0 JJADRN C[C@]12CCN([C@@H]3CCCN(c4ccccc4Cl)C3=O)C[C@H]1C2(Br)Br ZINC001460414797 1067630801 /nfs/dbraw/zinc/63/08/01/1067630801.db2.gz DZYRFSJQKMWLJJ-INMHGKMJSA-N 0 0 476.640 4.663 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCc3cc4ccccc4s3)cc2)C1 ZINC001460416715 1067631371 /nfs/dbraw/zinc/63/13/71/1067631371.db2.gz QAWIQXVXUGPSKF-HDICACEKSA-N 0 0 456.633 4.540 20 0 JJADRN COC(=O)[C@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001460434331 1067633907 /nfs/dbraw/zinc/63/39/07/1067633907.db2.gz CBQOHGUZSAENNQ-KSFYIVLOSA-N 0 0 458.396 4.878 20 0 JJADRN COc1ccc(C(=O)N2CCOc3cc(F)c(Br)cc32)cc1OC1CCCC1 ZINC001460434092 1067633929 /nfs/dbraw/zinc/63/39/29/1067633929.db2.gz KUMBCWWZPWLAIB-UHFFFAOYSA-N 0 0 450.304 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2nc(CC(F)(F)F)cs2)(c2ccccc2)C1 ZINC001460435744 1067634366 /nfs/dbraw/zinc/63/43/66/1067634366.db2.gz QMZAHGFLWPCFOI-FQEVSTJZSA-N 0 0 455.502 4.765 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC001460434760 1067634382 /nfs/dbraw/zinc/63/43/82/1067634382.db2.gz GLAPXIOQVORUEO-INIZCTEOSA-N 0 0 450.926 4.943 20 0 JJADRN O=C(CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC001460437134 1067634841 /nfs/dbraw/zinc/63/48/41/1067634841.db2.gz UVROTKJNLBIHDV-NRFANRHFSA-N 0 0 452.860 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)ccc21 ZINC001460436224 1067634849 /nfs/dbraw/zinc/63/48/49/1067634849.db2.gz SYFDZARPVRGOOL-QFIPXVFZSA-N 0 0 456.505 4.946 20 0 JJADRN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C(=O)C1(C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC001460441282 1067635338 /nfs/dbraw/zinc/63/53/38/1067635338.db2.gz DWCLGNHBFOQRPV-OAQYLSRUSA-N 0 0 454.570 4.671 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N1CC(C)(C)c2ccc(Br)cc21 ZINC001460444291 1067635671 /nfs/dbraw/zinc/63/56/71/1067635671.db2.gz CGDLBAIEHROKAA-LBPRGKRZSA-N 0 0 451.386 4.730 20 0 JJADRN Cc1ccoc1COC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001460445029 1067636250 /nfs/dbraw/zinc/63/62/50/1067636250.db2.gz CFELOFRPPNZYJS-IBGZPJMESA-N 0 0 457.548 4.541 20 0 JJADRN CCc1cccc(C)c1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450038 1067636977 /nfs/dbraw/zinc/63/69/77/1067636977.db2.gz JWMTVDDQJFSAAH-ZWKOTPCHSA-N 0 0 457.537 4.521 20 0 JJADRN C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001460459898 1067637944 /nfs/dbraw/zinc/63/79/44/1067637944.db2.gz QBRKNDRLBQDQJY-LJFZDNNRSA-N 0 0 454.636 4.522 20 0 JJADRN COC(=O)c1ccccc1CCC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460461109 1067638531 /nfs/dbraw/zinc/63/85/31/1067638531.db2.gz SLYRXWWAMFWIOD-HSZRJFAPSA-N 0 0 457.014 4.818 20 0 JJADRN COc1ccc(CCCCC(=O)N2CCOc3cc(F)c(Br)cc32)cc1OC ZINC001460461297 1067638570 /nfs/dbraw/zinc/63/85/70/1067638570.db2.gz YIMXTVDITUAHTJ-UHFFFAOYSA-N 0 0 452.320 4.744 20 0 JJADRN C[C@@H](N[C@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468818 1067639484 /nfs/dbraw/zinc/63/94/84/1067639484.db2.gz FLWDYVASLSQWNO-BDJLRTHQSA-N 0 0 454.354 4.906 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2C(F)(F)F)CCS1 ZINC001546116463 1067639544 /nfs/dbraw/zinc/63/95/44/1067639544.db2.gz VSKSVHHDXVIWNH-UHFFFAOYSA-N 0 0 482.551 4.997 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cccs2)CCS1 ZINC001546116493 1067640420 /nfs/dbraw/zinc/64/04/20/1067640420.db2.gz XGYLXVLBEKOAOG-UHFFFAOYSA-N 0 0 485.679 4.557 20 0 JJADRN COCCOCc1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1 ZINC001460477475 1067641420 /nfs/dbraw/zinc/64/14/20/1067641420.db2.gz JUFGAFWWRVRPDC-UHFFFAOYSA-N 0 0 457.368 4.548 20 0 JJADRN O=C(NCc1cccc(N2CCOCC2)c1)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001460478181 1067641796 /nfs/dbraw/zinc/64/17/96/1067641796.db2.gz RNFMCYLRBGWKEM-UHFFFAOYSA-N 0 0 457.361 4.899 20 0 JJADRN Cc1cccc(C(=O)N(C)CCc2cccc(Br)c2)c1I ZINC001460477816 1067641811 /nfs/dbraw/zinc/64/18/11/1067641811.db2.gz KSVXPZNUZQLGOP-UHFFFAOYSA-N 0 0 458.137 4.677 20 0 JJADRN CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC001460479221 1067642248 /nfs/dbraw/zinc/64/22/48/1067642248.db2.gz KWUOLJCEQPWQAS-UHFFFAOYSA-N 0 0 455.986 4.511 20 0 JJADRN COCCN(C(C)=O)c1nc(CN2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001460482842 1067643216 /nfs/dbraw/zinc/64/32/16/1067643216.db2.gz HYGHNMNELCIQLQ-NRFANRHFSA-N 0 0 455.546 4.758 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3sc(Cc4ccc(F)cc4)nc3C)nc21 ZINC001460486283 1067643578 /nfs/dbraw/zinc/64/35/78/1067643578.db2.gz RIOBMFHQSRDNFR-HNNXBMFYSA-N 0 0 459.568 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)ccc21 ZINC001460485854 1067643658 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ZINC001460716162 1067707853 /nfs/dbraw/zinc/70/78/53/1067707853.db2.gz PBQAUDALVPTXCT-URXFXBBRSA-N 0 0 450.608 4.569 20 0 JJADRN Cc1ccc(N2C(=O)C[C@H](C(=O)N(Cc3cnn(C)c3)CC(C)C)[C@@H]2c2cccs2)cc1 ZINC001460716169 1067707861 /nfs/dbraw/zinc/70/78/61/1067707861.db2.gz PBQAUDALVPTXCT-XUZZJYLKSA-N 0 0 450.608 4.569 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001460725818 1067710208 /nfs/dbraw/zinc/71/02/08/1067710208.db2.gz JLNAFRHDLXEEJG-VGOFRKELSA-N 0 0 455.986 4.964 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC001460725705 1067710249 /nfs/dbraw/zinc/71/02/49/1067710249.db2.gz CBEFTIQBDWIKLS-QHCPKHFHSA-N 0 0 452.599 4.732 20 0 JJADRN Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)sc1-c1cccc(Cl)c1 ZINC001460725264 1067710295 /nfs/dbraw/zinc/71/02/95/1067710295.db2.gz FQUVZLKDVLVRJT-KRWDZBQOSA-N 0 0 450.988 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C1 ZINC001460725987 1067710654 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ZJAYMNAEVOQZFU-UHFFFAOYSA-N 0 0 459.789 4.879 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCCc4cc(C)cc(Br)c43)c2)o1 ZINC001460767580 1067719903 /nfs/dbraw/zinc/71/99/03/1067719903.db2.gz YKHWJWCJKYSBKA-UHFFFAOYSA-N 0 0 456.340 4.589 20 0 JJADRN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460769697 1067720349 /nfs/dbraw/zinc/72/03/49/1067720349.db2.gz FVGHROYTECYUEL-RYUDHWBXSA-N 0 0 458.187 4.753 20 0 JJADRN CC(C)C[C@@H]1C[C@H]1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC001460769855 1067720361 /nfs/dbraw/zinc/72/03/61/1067720361.db2.gz YGHSCIBPSYRTKF-PXDATVDWSA-N 0 0 466.603 4.595 20 0 JJADRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773153 1067720716 /nfs/dbraw/zinc/72/07/16/1067720716.db2.gz NSYQPRCXTXJADT-AREMUKBSSA-N 0 0 459.631 4.584 20 0 JJADRN CC(C)(C)C[C@@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC001460786650 1067723307 /nfs/dbraw/zinc/72/33/07/1067723307.db2.gz GBCZNQNLPSGLGH-DZGCQCFKSA-N 0 0 450.295 4.880 20 0 JJADRN COC[C@H](NCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CCCOC1 ZINC001460794138 1067724959 /nfs/dbraw/zinc/72/49/59/1067724959.db2.gz YRNYGVLWAGLQAO-KUHUBIRLSA-N 0 0 458.411 4.666 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@H](C)Cc3cccc(F)c3)cc2)cc1 ZINC001460796847 1067725378 /nfs/dbraw/zinc/72/53/78/1067725378.db2.gz PWTDPZFBLCXGJC-LJQANCHMSA-N 0 0 454.567 4.662 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCc2ccc(Br)c(F)c2C1 ZINC001460796563 1067725408 /nfs/dbraw/zinc/72/54/08/1067725408.db2.gz TZCAIVGCQFQEME-GFCCVEGCSA-N 0 0 455.755 4.944 20 0 JJADRN Cc1nc(NC(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)cc(-c2ccc(F)cc2)n1 ZINC001460799384 1067726255 /nfs/dbraw/zinc/72/62/55/1067726255.db2.gz VKFAKGRCVMDCGB-UHFFFAOYSA-N 0 0 454.506 4.508 20 0 JJADRN C[C@H](NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC001460799590 1067726263 /nfs/dbraw/zinc/72/62/63/1067726263.db2.gz FVAHYVNYVTUHJZ-RNODOKPDSA-N 0 0 455.357 4.982 20 0 JJADRN CCOC(=O)[C@@](C)(NCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccccc1 ZINC001460799769 1067726633 /nfs/dbraw/zinc/72/66/33/1067726633.db2.gz GXTAQMDEUZKFSC-QHCPKHFHSA-N 0 0 457.983 4.779 20 0 JJADRN CC(C)(C)OC(=O)[C@H](NCCC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC001460803401 1067727040 /nfs/dbraw/zinc/72/70/40/1067727040.db2.gz XPTKZTAPDNKCTF-LJQANCHMSA-N 0 0 451.336 4.589 20 0 JJADRN Cc1cc(C)c(NC(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)c(C)c1 ZINC001460809913 1067728136 /nfs/dbraw/zinc/72/81/36/1067728136.db2.gz AHZFVFGXBARPNO-IBGZPJMESA-N 0 0 455.574 4.893 20 0 JJADRN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001460812017 1067728241 /nfs/dbraw/zinc/72/82/41/1067728241.db2.gz LVHWSSWEYKYNFR-QZTJIDSGSA-N 0 0 451.546 4.671 20 0 JJADRN C[C@@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001460812031 1067728566 /nfs/dbraw/zinc/72/85/66/1067728566.db2.gz LVHWSSWEYKYNFR-ZWKOTPCHSA-N 0 0 451.546 4.671 20 0 JJADRN COC(=O)[C@](C)(NCc1cccc(OCc2ccccn2)c1)c1cccc(Br)c1 ZINC001460822920 1067729578 /nfs/dbraw/zinc/72/95/78/1067729578.db2.gz YDYYHSXJZRVJPQ-HSZRJFAPSA-N 0 0 455.352 4.601 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC001460824574 1067729961 /nfs/dbraw/zinc/72/99/61/1067729961.db2.gz BUQDPEKSAPYITP-IBGZPJMESA-N 0 0 458.002 4.550 20 0 JJADRN OC[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1C(F)(F)F ZINC001460826211 1067730336 /nfs/dbraw/zinc/73/03/36/1067730336.db2.gz ATRRUJLIHWBOKG-GOSISDBHSA-N 0 0 452.274 4.748 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001460827884 1067730416 /nfs/dbraw/zinc/73/04/16/1067730416.db2.gz RCQVTJPRVMHKTD-STQMWFEESA-N 0 0 450.988 4.753 20 0 JJADRN O=C(CCN1CCc2cc(F)c(Br)cc2C1)Nc1cccc(Br)c1 ZINC001460825646 1067730479 /nfs/dbraw/zinc/73/04/79/1067730479.db2.gz KVQWTSQIEKRPKN-UHFFFAOYSA-N 0 0 456.153 4.738 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)n1 ZINC001460831036 1067731021 /nfs/dbraw/zinc/73/10/21/1067731021.db2.gz NDPOTAIJPCXLJF-RTBURBONSA-N 0 0 458.603 4.897 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC001460832941 1067731440 /nfs/dbraw/zinc/73/14/40/1067731440.db2.gz QMDJUAQUCXCZIY-JFIYKMOQSA-N 0 0 453.425 4.707 20 0 JJADRN CCc1nc(NC(=O)CN2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)sc1C ZINC001460834395 1067731768 /nfs/dbraw/zinc/73/17/68/1067731768.db2.gz RWXYUUVQEIOKCL-QGZVFWFLSA-N 0 0 458.628 4.546 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)c2scc(Br)c2Br)c1 ZINC001460838080 1067732478 /nfs/dbraw/zinc/73/24/78/1067732478.db2.gz ZKDRADIGZVIPAM-MRVPVSSYSA-N 0 0 451.155 4.782 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCS1 ZINC001546119454 1067733035 /nfs/dbraw/zinc/73/30/35/1067733035.db2.gz CWYKAQLBOALGGS-GMAHTHKFSA-N 0 0 457.688 4.827 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)cc1 ZINC001460844863 1067733552 /nfs/dbraw/zinc/73/35/52/1067733552.db2.gz SCZCJFPXICIFQM-UHFFFAOYSA-N 0 0 458.580 4.550 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CCS1 ZINC001546119511 1067733812 /nfs/dbraw/zinc/73/38/12/1067733812.db2.gz FOANNPOSYJRDCV-XMMPIXPASA-N 0 0 486.085 4.937 20 0 JJADRN CC[C@@](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)(C(=O)OC)c1ccccc1 ZINC001460849656 1067734680 /nfs/dbraw/zinc/73/46/80/1067734680.db2.gz KQVUHRZRVKQOJB-IBGZPJMESA-N 0 0 458.274 4.719 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[C@H](O)C2)CCS1 ZINC001546119601 1067735625 /nfs/dbraw/zinc/73/56/25/1067735625.db2.gz JHTSFUXDKRMBJL-SFTDATJTSA-N 0 0 458.672 4.563 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 ZINC001460857759 1067735917 /nfs/dbraw/zinc/73/59/17/1067735917.db2.gz CAGYCTZEZKRQLT-UHFFFAOYSA-N 0 0 452.260 4.751 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccc3C)n2Cc2cccnc2OC)CCS1 ZINC001546119654 1067736398 /nfs/dbraw/zinc/73/63/98/1067736398.db2.gz KWHBHZKOKULDEG-UHFFFAOYSA-N 0 0 451.640 4.741 20 0 JJADRN Cc1cccc(NC(=O)CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1C ZINC001460862735 1067736724 /nfs/dbraw/zinc/73/67/24/1067736724.db2.gz HVOWRYYEBJDFGO-UHFFFAOYSA-N 0 0 451.611 4.800 20 0 JJADRN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCOc2c(cccc2C(=O)OC)C1 ZINC001460863535 1067736801 /nfs/dbraw/zinc/73/68/01/1067736801.db2.gz FEQVVIRXLIZRDM-UHFFFAOYSA-N 0 0 458.986 4.865 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)C2=O)c1 ZINC001460865429 1067737156 /nfs/dbraw/zinc/73/71/56/1067737156.db2.gz OGUFUMOBBMHNHZ-SYYKKAFVSA-N 0 0 453.970 4.696 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)c2cccs2)CCS1 ZINC001546119703 1067737450 /nfs/dbraw/zinc/73/74/50/1067737450.db2.gz NGIRVOQWIZGJAK-DEOSSOPVSA-N 0 0 486.707 4.981 20 0 JJADRN C[C@H](NC(=O)CCC(=O)N1CCCc2c(Br)c(F)cc(F)c21)c1ccccc1 ZINC001460865484 1067737476 /nfs/dbraw/zinc/73/74/76/1067737476.db2.gz IKHZYFSESJXZFF-ZDUSSCGKSA-N 0 0 451.311 4.664 20 0 JJADRN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001460867922 1067737935 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/nfs/dbraw/zinc/74/07/51/1067740751.db2.gz MAEMWCJAHSKNAE-UHFFFAOYSA-N 0 0 459.384 4.565 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)ccc1Cl ZINC001460879509 1067740813 /nfs/dbraw/zinc/74/08/13/1067740813.db2.gz OKBMWFFYFJJLRK-GOSISDBHSA-N 0 0 456.942 4.672 20 0 JJADRN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001460882952 1067741739 /nfs/dbraw/zinc/74/17/39/1067741739.db2.gz WWZCASOKOOBNTO-INIZCTEOSA-N 0 0 450.366 4.585 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001460886054 1067742633 /nfs/dbraw/zinc/74/26/33/1067742633.db2.gz CEIKWBGRVFRBLG-GOSISDBHSA-N 0 0 451.567 4.794 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CSCCS2)CCS1 ZINC001546119850 1067742715 /nfs/dbraw/zinc/74/27/15/1067742715.db2.gz SOGAYLXIOWFDNE-QGZVFWFLSA-N 0 0 454.756 4.891 20 0 JJADRN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(F)cc2)CCS1 ZINC001546119884 1067743016 /nfs/dbraw/zinc/74/30/16/1067743016.db2.gz TYLDDCHRRAJHDZ-QFIPXVFZSA-N 0 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CO[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)N(C(=O)OCc2ccccc2)C1 ZINC001460893651 1067744808 /nfs/dbraw/zinc/74/48/08/1067744808.db2.gz FIDWMEBKKJXCOU-JMJGKCIBSA-N 0 0 456.970 4.518 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001460892317 1067744814 /nfs/dbraw/zinc/74/48/14/1067744814.db2.gz VBSZMTYBVLDZCQ-AWEZNQCLSA-N 0 0 457.290 4.694 20 0 JJADRN CO[C@](C)([C@@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1 ZINC001460896209 1067745184 /nfs/dbraw/zinc/74/51/84/1067745184.db2.gz AVXZJCCURJCJCF-IQMFZBJNSA-N 0 0 459.384 4.564 20 0 JJADRN CSc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ccc1Cl ZINC001460901820 1067745835 /nfs/dbraw/zinc/74/58/35/1067745835.db2.gz IFHXVNDMFAGJRV-UHFFFAOYSA-N 0 0 453.029 4.718 20 0 JJADRN Cc1cc(C(=O)Nc2c(F)cc(I)cc2F)sc1Br ZINC001460900876 1067745890 /nfs/dbraw/zinc/74/58/90/1067745890.db2.gz XCYHBSQJCADIRU-UHFFFAOYSA-N 0 0 458.065 4.954 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001460904676 1067745895 /nfs/dbraw/zinc/74/58/95/1067745895.db2.gz ISZUFLDBVCPHEU-GUYCJALGSA-N 0 0 457.384 4.671 20 0 JJADRN CC(=O)N(c1nc(CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cs1)c1ccc(C)c(C)c1 ZINC001460908000 1067746227 /nfs/dbraw/zinc/74/62/27/1067746227.db2.gz VOOVNZZPSWVFCA-RTWAWAEBSA-N 0 0 456.612 4.638 20 0 JJADRN O=C1[C@@H](N2CCOc3c(Cl)cc(Br)cc3C2)CCN1c1ccc(Cl)cc1 ZINC001460912460 1067747045 /nfs/dbraw/zinc/74/70/45/1067747045.db2.gz VIEWFABTLSRRHP-KRWDZBQOSA-N 0 0 456.167 4.756 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCOc3c(Cl)cc(Br)cc3C2)c1C ZINC001460912010 1067747108 /nfs/dbraw/zinc/74/71/08/1067747108.db2.gz XOSAGEWMITWGAD-GFCCVEGCSA-N 0 0 453.764 4.716 20 0 JJADRN COC(=O)c1ccc(-c2nc(CN3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001460915956 1067747796 /nfs/dbraw/zinc/74/77/96/1067747796.db2.gz HBNLEDIKFHORQR-XMMPIXPASA-N 0 0 457.596 4.572 20 0 JJADRN CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001460920519 1067748506 /nfs/dbraw/zinc/74/85/06/1067748506.db2.gz RZLYQPSEEAMFJI-PZJWPPBQSA-N 0 0 450.645 4.596 20 0 JJADRN CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001460921778 1067748799 /nfs/dbraw/zinc/74/87/99/1067748799.db2.gz UJMTURCLRNEDLO-XMMPIXPASA-N 0 0 454.998 4.997 20 0 JJADRN Cc1ccc(-c2csc(NC(=O)CN3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)n2)cc1 ZINC001460922684 1067748822 /nfs/dbraw/zinc/74/88/22/1067748822.db2.gz XLWSHTGBSLLTHN-XMMPIXPASA-N 0 0 456.612 4.532 20 0 JJADRN O=C(CCc1nnc(-c2ccccc2)o1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001460925093 1067749265 /nfs/dbraw/zinc/74/92/65/1067749265.db2.gz YHIZPICKGMUCPL-UHFFFAOYSA-N 0 0 459.453 4.769 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1(c2ccccc2Br)CCCCC1 ZINC001460925641 1067749479 /nfs/dbraw/zinc/74/94/79/1067749479.db2.gz WRNXXAGNNYGSNK-HXUWFJFHSA-N 0 0 459.359 4.712 20 0 JJADRN CC(C)OC(=O)C(C)(C)NC[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001460926598 1067749589 /nfs/dbraw/zinc/74/95/89/1067749589.db2.gz VNPDMLXHLWDVAB-HXUWFJFHSA-N 0 0 454.394 4.780 20 0 JJADRN O[C@H](CN1CCn2c(c(Br)nc2C(F)(F)F)C1)c1ccc(Cl)cc1Cl ZINC001460927735 1067749669 /nfs/dbraw/zinc/74/96/69/1067749669.db2.gz DPPUTMACLPEIRR-GFCCVEGCSA-N 0 0 459.093 4.520 20 0 JJADRN Cc1ccccc1-c1noc([C@H](C)N2CCn3c(c(Br)nc3C(F)(F)F)C2)n1 ZINC001460929814 1067749880 /nfs/dbraw/zinc/74/98/80/1067749880.db2.gz OGELSKNILPPWPZ-NSHDSACASA-N 0 0 456.266 4.600 20 0 JJADRN CC1(C)CCC[C@H](CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 ZINC001460938300 1067750836 /nfs/dbraw/zinc/75/08/36/1067750836.db2.gz ZDANSGYTYITWRZ-LBPRGKRZSA-N 0 0 459.310 4.995 20 0 JJADRN COc1ccc(-c2nc(CN3C4CCC3(CNC(=O)OC(C)(C)C)CC4)cs2)c(OC)c1 ZINC001460938219 1067750878 /nfs/dbraw/zinc/75/08/78/1067750878.db2.gz QUYAXWAEFOLILW-UHFFFAOYSA-N 0 0 459.612 4.849 20 0 JJADRN CC1(C)CCC(C)(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC001460935537 1067750905 /nfs/dbraw/zinc/75/09/05/1067750905.db2.gz ITJYRLOKKDSUST-UHFFFAOYSA-N 0 0 456.652 4.963 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCC(C)(C)C2)c1 ZINC001460937390 1067750913 /nfs/dbraw/zinc/75/09/13/1067750913.db2.gz XZLYNXOAQYJTJL-LJQANCHMSA-N 0 0 458.624 4.775 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC2)c1C ZINC001460938367 1067751159 /nfs/dbraw/zinc/75/11/59/1067751159.db2.gz SFWCZEIEAPSIHE-WZONZLPQSA-N 0 0 459.631 4.763 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001460940611 1067751170 /nfs/dbraw/zinc/75/11/70/1067751170.db2.gz WXCRKGHCCYJCSK-VQTJNVASSA-N 0 0 451.007 4.912 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC2)c1C ZINC001460938362 1067751267 /nfs/dbraw/zinc/75/12/67/1067751267.db2.gz SFWCZEIEAPSIHE-MBSDFSHPSA-N 0 0 459.631 4.763 20 0 JJADRN CN(C)c1ccc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1C(F)(F)F ZINC001460947133 1067752065 /nfs/dbraw/zinc/75/20/65/1067752065.db2.gz JLTDRLUUEAOKES-UHFFFAOYSA-N 0 0 455.285 4.734 20 0 JJADRN C/C(=C/C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1OC(F)F ZINC001460952767 1067752637 /nfs/dbraw/zinc/75/26/37/1067752637.db2.gz NTHBZVQDXVZKRU-QYMJWVLRSA-N 0 0 452.420 4.653 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 ZINC001460955658 1067753540 /nfs/dbraw/zinc/75/35/40/1067753540.db2.gz JTACJEKKBDSDDP-UHFFFAOYSA-N 0 0 455.805 4.641 20 0 JJADRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001460961705 1067753873 /nfs/dbraw/zinc/75/38/73/1067753873.db2.gz NYFFCLPWHHWMAY-UHFFFAOYSA-N 0 0 457.720 4.655 20 0 JJADRN COC(=O)[C@@]1(NCC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H](C)c2ccccc21 ZINC001460969226 1067754592 /nfs/dbraw/zinc/75/45/92/1067754592.db2.gz XCOJLKISXPBCGG-CCLHPLFOSA-N 0 0 450.579 4.591 20 0 JJADRN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460974724 1067755552 /nfs/dbraw/zinc/75/55/52/1067755552.db2.gz PCNJTLOXEOSRAF-IGCHPXFFSA-N 0 0 454.970 4.710 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NC[C@H](CC(C)C)OC)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001460986034 1067757581 /nfs/dbraw/zinc/75/75/81/1067757581.db2.gz KZCGTDVEUHUICH-BFLUCZKCSA-N 0 0 452.595 4.665 20 0 JJADRN COc1cc(I)c(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)cc1OC ZINC001460986400 1067757604 /nfs/dbraw/zinc/75/76/04/1067757604.db2.gz FUHWCJKUWHCOKW-LBPRGKRZSA-N 0 0 459.349 4.982 20 0 JJADRN COc1ccc(N(CC(C)C)C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)cc1 ZINC001460989593 1067758551 /nfs/dbraw/zinc/75/85/51/1067758551.db2.gz AAHPOGNZRQNPLU-HSZRJFAPSA-N 0 0 456.583 4.829 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)OCc2c(Br)cc(F)c(F)c2F)cc1 ZINC001460992427 1067758903 /nfs/dbraw/zinc/75/89/03/1067758903.db2.gz GHYOLGHSQXGHKX-GFCCVEGCSA-N 0 0 459.258 4.899 20 0 JJADRN CO[C@@H](CNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)CC(C)C ZINC001460991207 1067758968 /nfs/dbraw/zinc/75/89/68/1067758968.db2.gz NNOWCTZTOAVEFF-HXUWFJFHSA-N 0 0 458.624 4.597 20 0 JJADRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCc2c(Br)cc(F)c(F)c2F)cc1 ZINC001460992428 1067759294 /nfs/dbraw/zinc/75/92/94/1067759294.db2.gz GHYOLGHSQXGHKX-LBPRGKRZSA-N 0 0 459.258 4.899 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)C3CC(OC(C)(C)C)C3)C2)c2ccccc12 ZINC001460998298 1067760221 /nfs/dbraw/zinc/76/02/21/1067760221.db2.gz VFWAYPYHSXOEAT-XEVCZEQESA-N 0 0 452.595 4.505 20 0 JJADRN CN(C)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1C(F)(F)F ZINC001461005450 1067761226 /nfs/dbraw/zinc/76/12/26/1067761226.db2.gz ZUMZGJDOLOLVNB-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)ccc1N1CCCCC1 ZINC001461005101 1067761271 /nfs/dbraw/zinc/76/12/71/1067761271.db2.gz ISAIROCGBJMECY-UHFFFAOYSA-N 0 0 452.942 4.614 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1COCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001461006383 1067761312 /nfs/dbraw/zinc/76/13/12/1067761312.db2.gz VCDYNESGCJKVNT-OALUTQOASA-N 0 0 450.457 4.659 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001461005339 1067761334 /nfs/dbraw/zinc/76/13/34/1067761334.db2.gz NORGURUVJUDDFP-UHFFFAOYSA-N 0 0 450.384 4.991 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)c1C ZINC001461007708 1067761643 /nfs/dbraw/zinc/76/16/43/1067761643.db2.gz YRTVCEFQKGDBGF-UHFFFAOYSA-N 0 0 455.736 4.880 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC001461017879 1067762490 /nfs/dbraw/zinc/76/24/90/1067762490.db2.gz VOGZICWBZYVMFS-INIZCTEOSA-N 0 0 451.311 4.733 20 0 JJADRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nsc(Cc2ccc(F)cc2)n1 ZINC001461017938 1067762518 /nfs/dbraw/zinc/76/25/18/1067762518.db2.gz VCZPGPQAHYCCEY-UHFFFAOYSA-N 0 0 455.540 4.812 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2F)CCS1 ZINC001546120886 1067763433 /nfs/dbraw/zinc/76/34/33/1067763433.db2.gz CMGBLURPDBGPLO-UHFFFAOYSA-N 0 0 473.643 4.569 20 0 JJADRN COC(=O)c1c(NC(=O)c2cc3cc(Br)cc(C)c3o2)sc2c1CCOC2 ZINC001461023063 1067763576 /nfs/dbraw/zinc/76/35/76/1067763576.db2.gz QUMTVPYSDHEPMG-UHFFFAOYSA-N 0 0 450.310 4.677 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1sc2c(c1C(=O)OC)CCOC2 ZINC001461022954 1067763646 /nfs/dbraw/zinc/76/36/46/1067763646.db2.gz PGNJKNUDISNGBT-LBPRGKRZSA-N 0 0 452.370 4.577 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001461031283 1067765765 /nfs/dbraw/zinc/76/57/65/1067765765.db2.gz QDSVJBAIVLVKEY-GMAHTHKFSA-N 0 0 454.998 4.800 20 0 JJADRN COC(=O)[C@@H]1CCc2sc(NC(=O)/C(=C\c3ccc(OC)cc3)c3cccs3)nc2C1 ZINC001461031748 1067765900 /nfs/dbraw/zinc/76/59/00/1067765900.db2.gz LTCJGAQEVQQAAF-UHVIJJLKSA-N 0 0 454.573 4.670 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001461031273 1067765933 /nfs/dbraw/zinc/76/59/33/1067765933.db2.gz QDSVJBAIVLVKEY-GGAORHGYSA-N 0 0 454.998 4.800 20 0 JJADRN COC(=O)c1cnc([C@@H](C)NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)s1 ZINC001461037962 1067767231 /nfs/dbraw/zinc/76/72/31/1067767231.db2.gz CVZPFNRMOGAZIE-CRRKTRLDSA-N 0 0 458.486 4.949 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3(c4ccc(Cl)cc4)CC3)cc2)cc1 ZINC001461037707 1067767398 /nfs/dbraw/zinc/76/73/98/1067767398.db2.gz NUDUWLOMTCHOCG-UHFFFAOYSA-N 0 0 454.979 4.893 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001461039721 1067767604 /nfs/dbraw/zinc/76/76/04/1067767604.db2.gz MESSIYALEFSELB-YCPHGPKFSA-N 0 0 457.384 4.529 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)c1 ZINC001461042406 1067768276 /nfs/dbraw/zinc/76/82/76/1067768276.db2.gz QRZWKLYJTCVWNN-KKUMJFAQSA-N 0 0 457.384 4.908 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)c1 ZINC001461042411 1067768325 /nfs/dbraw/zinc/76/83/25/1067768325.db2.gz QRZWKLYJTCVWNN-ZNMIVQPWSA-N 0 0 457.384 4.908 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)CCS1 ZINC001546121017 1067768365 /nfs/dbraw/zinc/76/83/65/1067768365.db2.gz HUTSYQWMALDPFJ-UNMCSNQZSA-N 0 0 476.662 4.886 20 0 JJADRN CCCC(=O)Nc1cccc(CNCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461051305 1067769840 /nfs/dbraw/zinc/76/98/40/1067769840.db2.gz QAODMPSJBXQZBL-FQEVSTJZSA-N 0 0 455.599 4.866 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)Cc2csc(C3CCCC3)n2)C[C@H]1c1ccc(Br)cc1 ZINC001461051098 1067770074 /nfs/dbraw/zinc/77/00/74/1067770074.db2.gz MCQATHDUMHNQPB-RBUKOAKNSA-N 0 0 477.424 4.521 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCc2ccc(SC)cc2)C[C@H]1c1ccc(Br)cc1 ZINC001461051970 1067770302 /nfs/dbraw/zinc/77/03/02/1067770302.db2.gz OFZYVUHYYUPQSA-LEWJYISDSA-N 0 0 476.436 4.909 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)CCCc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461052473 1067770389 /nfs/dbraw/zinc/77/03/89/1067770389.db2.gz PNAYFPUWZFKXSS-VOQZNFBZSA-N 0 0 458.396 4.823 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)C[C@H]1c1ccc(Br)cc1 ZINC001461053325 1067771075 /nfs/dbraw/zinc/77/10/75/1067771075.db2.gz SHRNRICKRHDGAV-UIAACRFSSA-N 0 0 462.359 4.572 20 0 JJADRN O=C(Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1)N1CCOCC1 ZINC001461060301 1067772420 /nfs/dbraw/zinc/77/24/20/1067772420.db2.gz IBEQHXULGOBBMH-UHFFFAOYSA-N 0 0 450.966 4.932 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@H]2C)CCS1 ZINC001546121156 1067772431 /nfs/dbraw/zinc/77/24/31/1067772431.db2.gz MQPJAWIRGBDQDR-RTWAWAEBSA-N 0 0 458.672 4.950 20 0 JJADRN CCCOc1c(Cl)cc(CNc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1OCC ZINC001461061090 1067772817 /nfs/dbraw/zinc/77/28/17/1067772817.db2.gz PBPXQWCPQXPWCB-UHFFFAOYSA-N 0 0 452.382 4.729 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Oc3cc([S@@](C)=O)c(C)cc3OC)CC2(Cl)Cl)cc1 ZINC001461060720 1067772886 /nfs/dbraw/zinc/77/28/86/1067772886.db2.gz MPLKEHZABROBCI-AFJIDDCJSA-N 0 0 457.375 4.561 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)CCS1 ZINC001546121235 1067773590 /nfs/dbraw/zinc/77/35/90/1067773590.db2.gz QBZLSWWXCCJBJE-UHFFFAOYSA-N 0 0 467.639 4.729 20 0 JJADRN COc1cc(CNc2cccc(CN3CCCC3=O)c2)cc(Br)c1OC(F)F ZINC001461064891 1067774232 /nfs/dbraw/zinc/77/42/32/1067774232.db2.gz JGYRLOZNGAALFZ-UHFFFAOYSA-N 0 0 455.299 4.794 20 0 JJADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2)CCS1 ZINC001546121290 1067774963 /nfs/dbraw/zinc/77/49/63/1067774963.db2.gz RQBNWQLRMXKXHT-QGZVFWFLSA-N 0 0 479.741 4.667 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(F)F)CC2)cc1 ZINC001461068623 1067775363 /nfs/dbraw/zinc/77/53/63/1067775363.db2.gz IOMMWAJWORWDEG-UHFFFAOYSA-N 0 0 450.551 4.961 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC001461071526 1067776028 /nfs/dbraw/zinc/77/60/28/1067776028.db2.gz LRLGDWDLTYVUHY-UHFFFAOYSA-N 0 0 459.980 4.592 20 0 JJADRN CN(C(=O)Cc1ccc(NCc2cc3c(c(Br)c2)OCO3)cc1)c1ccccc1 ZINC001461072024 1067776063 /nfs/dbraw/zinc/77/60/63/1067776063.db2.gz CNGHQQCHWHYYQX-UHFFFAOYSA-N 0 0 453.336 4.995 20 0 JJADRN CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC001461071384 1067776072 /nfs/dbraw/zinc/77/60/72/1067776072.db2.gz IQOJBLWXKDYVIJ-UHFFFAOYSA-N 0 0 451.514 4.575 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2cccc(OCc3cccnc3)c2)c1C ZINC001461071179 1067776104 /nfs/dbraw/zinc/77/61/04/1067776104.db2.gz PLJGMCSQWUTHKT-UHFFFAOYSA-N 0 0 455.308 4.770 20 0 JJADRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cc2nc3ccccc3[nH]2)c1 ZINC001461071813 1067776111 /nfs/dbraw/zinc/77/61/11/1067776111.db2.gz LUJURBCLISPESJ-UHFFFAOYSA-N 0 0 453.951 4.610 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CCC2CCOCC2)CCS1 ZINC001546121369 1067776411 /nfs/dbraw/zinc/77/64/11/1067776411.db2.gz VJRGMNKTERVWBN-UHFFFAOYSA-N 0 0 462.635 4.925 20 0 JJADRN CS(=O)(=O)CCSc1cc(Br)ccc1CNc1ccc(F)c(Cl)c1 ZINC001461074425 1067776435 /nfs/dbraw/zinc/77/64/35/1067776435.db2.gz FIFWSASRCROTIM-UHFFFAOYSA-N 0 0 452.798 4.990 20 0 JJADRN Cc1cc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)nn1-c1ccc(C)cc1 ZINC001461077212 1067776953 /nfs/dbraw/zinc/77/69/53/1067776953.db2.gz XBGOSPALAYQILK-UHFFFAOYSA-N 0 0 456.237 4.738 20 0 JJADRN O=C(NCc1cc(Cl)cc(I)c1)c1ccc(OC(F)(F)F)cc1 ZINC001461076805 1067777044 /nfs/dbraw/zinc/77/70/44/1067777044.db2.gz RWJCCSKEVJXYIE-UHFFFAOYSA-N 0 0 455.601 4.773 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCc1cccc(C(F)(F)F)c1 ZINC001461078285 1067777356 /nfs/dbraw/zinc/77/73/56/1067777356.db2.gz GFYMPAHUQMHEAA-INIZCTEOSA-N 0 0 455.498 4.934 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461084132 1067778343 /nfs/dbraw/zinc/77/83/43/1067778343.db2.gz FZMGDTHSTRSTQV-QGZVFWFLSA-N 0 0 455.299 4.590 20 0 JJADRN COCCCN(C(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(Br)cn1 ZINC001461084436 1067778419 /nfs/dbraw/zinc/77/84/19/1067778419.db2.gz ACSMMKWUSAMIIY-UHFFFAOYSA-N 0 0 450.720 4.836 20 0 JJADRN O=C(CCc1ccc(OC(F)F)cc1)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001461084131 1067778502 /nfs/dbraw/zinc/77/85/02/1067778502.db2.gz FZMGDTHSTRSTQV-KRWDZBQOSA-N 0 0 455.299 4.590 20 0 JJADRN CCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1cccc(C(F)(F)F)c1 ZINC001461087173 1067779054 /nfs/dbraw/zinc/77/90/54/1067779054.db2.gz CEJTUXJHIUSPOT-GHTZIAJQSA-N 0 0 452.473 4.788 20 0 JJADRN O=C(Cc1coc2c1ccc(F)c2F)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461088207 1067779450 /nfs/dbraw/zinc/77/94/50/1067779450.db2.gz VDHAYIHPCCLVPK-CQSZACIVSA-N 0 0 451.267 4.623 20 0 JJADRN COc1ccc(Cn2cc(CN[C@@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)cc1 ZINC001461087252 1067779607 /nfs/dbraw/zinc/77/96/07/1067779607.db2.gz QWOSNOPFRPICDC-SFHVURJKSA-N 0 0 459.525 4.577 20 0 JJADRN CC(C)Oc1ccccc1CC(=O)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461089622 1067779776 /nfs/dbraw/zinc/77/97/76/1067779776.db2.gz ZKIFHFBYAVHXMJ-UHFFFAOYSA-N 0 0 454.368 4.845 20 0 JJADRN COc1ccc(Br)cc1NCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461089460 1067779796 /nfs/dbraw/zinc/77/97/96/1067779796.db2.gz YOUUTTJZGJHXOQ-UHFFFAOYSA-N 0 0 454.390 4.820 20 0 JJADRN COCCCN(C(=O)COc1ccccc1-c1ccccc1)c1ccc(Br)cn1 ZINC001461089867 1067779957 /nfs/dbraw/zinc/77/99/57/1067779957.db2.gz XWHBIMZMHMZVRE-UHFFFAOYSA-N 0 0 455.352 4.960 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)NC1(c2cccc(F)c2)CCC1 ZINC001461097316 1067781358 /nfs/dbraw/zinc/78/13/58/1067781358.db2.gz BKDHZYPWIJEZLX-UHFFFAOYSA-N 0 0 450.333 4.828 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)cc1 ZINC001461103651 1067782416 /nfs/dbraw/zinc/78/24/16/1067782416.db2.gz CADFIHOGBACOIF-UHFFFAOYSA-N 0 0 459.472 4.923 20 0 JJADRN CCOc1ccc(C)nc1COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001461103918 1067782483 /nfs/dbraw/zinc/78/24/83/1067782483.db2.gz GLMWVUSDQNTSOZ-YADARESESA-N 0 0 450.560 4.996 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)COc1cccc(I)c1 ZINC001461108882 1067783461 /nfs/dbraw/zinc/78/34/61/1067783461.db2.gz VAGOWUKRYOEGFF-UHFFFAOYSA-N 0 0 451.348 4.972 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Oc3c(OC)cc(C(C)=O)cc3OC)CC2(Cl)Cl)cc1 ZINC001461119887 1067784917 /nfs/dbraw/zinc/78/49/17/1067784917.db2.gz JROFVWFPLRUPIJ-NRFANRHFSA-N 0 0 453.318 4.726 20 0 JJADRN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1ccc2c(Br)cnn2c1 ZINC001461117168 1067784945 /nfs/dbraw/zinc/78/49/45/1067784945.db2.gz WQWLPYJENULLNZ-INIZCTEOSA-N 0 0 455.209 4.751 20 0 JJADRN Cc1ccccc1C1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC001461119505 1067784971 /nfs/dbraw/zinc/78/49/71/1067784971.db2.gz YWFRMZWXUTUJQB-SFHVURJKSA-N 0 0 455.396 4.724 20 0 JJADRN COc1cc(C(C)=O)cc(OC)c1OC(=O)COc1ccc2cc(Br)ccc2c1 ZINC001461122236 1067785257 /nfs/dbraw/zinc/78/52/57/1067785257.db2.gz XJNJNMSPSRPVTP-UHFFFAOYSA-N 0 0 459.292 4.807 20 0 JJADRN Cc1nc(COc2cccc(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]3C)c2)cs1 ZINC001461125114 1067786125 /nfs/dbraw/zinc/78/61/25/1067786125.db2.gz PZNGXJRHIDBUNG-IXDOHACOSA-N 0 0 459.612 4.889 20 0 JJADRN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2csc(I)c2Br)cc1 ZINC001461126020 1067786511 /nfs/dbraw/zinc/78/65/11/1067786511.db2.gz RUHCJIOUBKBWLP-CMPLNLGQSA-N 0 0 462.150 4.710 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461142786 1067788236 /nfs/dbraw/zinc/78/82/36/1067788236.db2.gz FVHOOMATWMKXEI-SUMWQHHRSA-N 0 0 456.340 4.568 20 0 JJADRN COc1cccc(COc2cccc(Cl)c2CNCC(=O)N2CCCc3ccccc32)c1 ZINC001461141592 1067788263 /nfs/dbraw/zinc/78/82/63/1067788263.db2.gz XBJLSZVMNFKVPM-UHFFFAOYSA-N 0 0 450.966 4.997 20 0 JJADRN Cc1cnnn1-c1ccc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 ZINC001461150909 1067789823 /nfs/dbraw/zinc/78/98/23/1067789823.db2.gz UWDMEGSMKCQPCD-UHFFFAOYSA-N 0 0 456.337 4.839 20 0 JJADRN O=C(NCc1ccc(COc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001461154102 1067790157 /nfs/dbraw/zinc/79/01/57/1067790157.db2.gz AFOPDPLKYLADPN-LJQANCHMSA-N 0 0 452.913 4.727 20 0 JJADRN CCOc1c(Br)cc(CNCc2nc3ccccc3n2C)cc1Br ZINC001461154639 1067790342 /nfs/dbraw/zinc/79/03/42/1067790342.db2.gz DFFQPXJMPKOAMN-UHFFFAOYSA-N 0 0 453.178 4.787 20 0 JJADRN Cc1oc2ccccc2c1CC(=O)N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1 ZINC001461166982 1067791703 /nfs/dbraw/zinc/79/17/03/1067791703.db2.gz QVVCIULMFQLWMB-RUZDIDTESA-N 0 0 457.526 4.729 20 0 JJADRN O=S(=O)(CCCNCc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC001461165361 1067791728 /nfs/dbraw/zinc/79/17/28/1067791728.db2.gz GYGWEDKNCBJBHI-UHFFFAOYSA-N 0 0 451.411 4.526 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)c1nn(-c2ccccc2)c2c1CCC2 ZINC001461169475 1067792114 /nfs/dbraw/zinc/79/21/14/1067792114.db2.gz HBEHUZBVNWZONU-UHFFFAOYSA-N 0 0 451.246 4.790 20 0 JJADRN O=C([C@H](c1c(F)cccc1Cl)N1CCCCC1)N1CCN(c2c(F)cccc2F)CC1 ZINC001461174043 1067792637 /nfs/dbraw/zinc/79/26/37/1067792637.db2.gz BRKGOEDYCGLBIM-QFIPXVFZSA-N 0 0 451.920 4.633 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001546122247 1067793152 /nfs/dbraw/zinc/79/31/52/1067793152.db2.gz CSRPNKVEIADJKY-UHFFFAOYSA-N 0 0 496.656 4.642 20 0 JJADRN COC(=O)[C@]1(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)C[C@H]1c1ccccc1 ZINC001461182775 1067794330 /nfs/dbraw/zinc/79/43/30/1067794330.db2.gz CBKCSLKFKVQMNC-LHSJRXKWSA-N 0 0 459.727 4.936 20 0 JJADRN CCn1ncnc1-c1ccc(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)OC)cc1 ZINC001461186584 1067795255 /nfs/dbraw/zinc/79/52/55/1067795255.db2.gz VSXZKWTVEFXPPE-UHFFFAOYSA-N 0 0 456.502 4.583 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1 ZINC001461187696 1067795382 /nfs/dbraw/zinc/79/53/82/1067795382.db2.gz DEDCPTYGJAWEJJ-UHFFFAOYSA-N 0 0 450.392 4.633 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001461188474 1067795653 /nfs/dbraw/zinc/79/56/53/1067795653.db2.gz GPWMAJDOPIROGA-FQEVSTJZSA-N 0 0 453.539 4.858 20 0 JJADRN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC001461188225 1067795716 /nfs/dbraw/zinc/79/57/16/1067795716.db2.gz COTDTTZDUUUXAR-GIPWTMENSA-N 0 0 452.363 4.510 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)C2)c1 ZINC001461197763 1067797560 /nfs/dbraw/zinc/79/75/60/1067797560.db2.gz TXSMRYCTLXCKTP-BAMDZGJYSA-N 0 0 470.654 4.664 20 0 JJADRN COc1cccc2nc(NC(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)sc21 ZINC001461201042 1067798199 /nfs/dbraw/zinc/79/81/99/1067798199.db2.gz QWTVXUDVIHXQGT-BCTVQRCUSA-N 0 0 453.564 4.869 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(C)c1Br ZINC001461206487 1067799417 /nfs/dbraw/zinc/79/94/17/1067799417.db2.gz QFKMQSJQGFLPNA-GFCCVEGCSA-N 0 0 453.299 4.560 20 0 JJADRN O=C1[C@@H](NCc2cc(Br)ccc2Cl)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209526 1067799633 /nfs/dbraw/zinc/79/96/33/1067799633.db2.gz MHUXOMMAMVDBTO-KRWDZBQOSA-N 0 0 459.718 4.989 20 0 JJADRN Cc1cnc(CCNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c(C)c1 ZINC001461210069 1067800345 /nfs/dbraw/zinc/80/03/45/1067800345.db2.gz KPXDZNOWVOAIFA-UHFFFAOYSA-N 0 0 456.390 4.894 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001461214482 1067800754 /nfs/dbraw/zinc/80/07/54/1067800754.db2.gz DEIYJHNZQBBPCJ-RBUKOAKNSA-N 0 0 455.860 4.566 20 0 JJADRN CCc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCNC(=O)C3)o2)cc1 ZINC001461216654 1067801166 /nfs/dbraw/zinc/80/11/66/1067801166.db2.gz ZGHDQDDOBOXMSR-UHFFFAOYSA-N 0 0 457.452 4.716 20 0 JJADRN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)OCc1ccccc1 ZINC001461221886 1067802695 /nfs/dbraw/zinc/80/26/95/1067802695.db2.gz MPYXDDQUELPBLV-KRWDZBQOSA-N 0 0 451.954 4.656 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(CCn2cc(Br)cn2)cc1 ZINC001461224793 1067803980 /nfs/dbraw/zinc/80/39/80/1067803980.db2.gz VPMSGZNCDMRCCU-UHFFFAOYSA-N 0 0 451.372 4.698 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)F)c1 ZINC001461227627 1067804397 /nfs/dbraw/zinc/80/43/97/1067804397.db2.gz GSGBKTCEYMXEIY-UHFFFAOYSA-N 0 0 450.239 4.611 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCCC1 ZINC001461231012 1067805297 /nfs/dbraw/zinc/80/52/97/1067805297.db2.gz GNAQCDDWZCUIKU-SFHVURJKSA-N 0 0 451.976 4.500 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCCC1 ZINC001461231008 1067805391 /nfs/dbraw/zinc/80/53/91/1067805391.db2.gz GNAQCDDWZCUIKU-GOSISDBHSA-N 0 0 451.976 4.500 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461245393 1067808582 /nfs/dbraw/zinc/80/85/82/1067808582.db2.gz WMXDIDYUZQBSAY-RADWXHQJSA-N 0 0 450.982 4.727 20 0 JJADRN COc1ccccc1[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl ZINC001461247166 1067808991 /nfs/dbraw/zinc/80/89/91/1067808991.db2.gz JFYCUGAIZVSZCO-OAQYLSRUSA-N 0 0 451.375 4.529 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCc2ccccc2NC1=O)c1csc(-c2c(F)cccc2Cl)n1 ZINC001461248863 1067809316 /nfs/dbraw/zinc/80/93/16/1067809316.db2.gz XUURDXZDFMHTBP-QGZVFWFLSA-N 0 0 457.958 4.950 20 0 JJADRN CCc1ccc([C@H](NCc2ccc(-c3cnn(C)c3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251235 1067809753 /nfs/dbraw/zinc/80/97/53/1067809753.db2.gz DWBUFXCYXUQWCO-MHZLTWQESA-N 0 0 459.615 4.932 20 0 JJADRN CCc1ccc([C@H](NCc2cn3cc(Cl)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251551 1067809848 /nfs/dbraw/zinc/80/98/48/1067809848.db2.gz GUVUVIZYQIHCNQ-DEOSSOPVSA-N 0 0 453.995 4.833 20 0 JJADRN COc1ccc([C@H](NCc2cc(C)nc3c2CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461252305 1067810389 /nfs/dbraw/zinc/81/03/89/1067810389.db2.gz CDKZIMZAXQDSND-SANMLTNESA-N 0 0 450.604 4.560 20 0 JJADRN Cc1c(C(=O)Nc2ncccc2C(=O)c2cccc(Cl)c2)nnn1-c1cccc(Cl)c1 ZINC001461257037 1067811539 /nfs/dbraw/zinc/81/15/39/1067811539.db2.gz TYKLMDHBONEYIT-UHFFFAOYSA-N 0 0 452.301 4.761 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CCCC1 ZINC001546122788 1067811584 /nfs/dbraw/zinc/81/15/84/1067811584.db2.gz XNJUXNBGZXYPBE-KNQAVFIVSA-N 0 0 453.631 4.979 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)nc1 ZINC001461257996 1067811948 /nfs/dbraw/zinc/81/19/48/1067811948.db2.gz YOGXSXIKURTXGA-UHFFFAOYSA-N 0 0 453.539 4.582 20 0 JJADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001546122823 1067812049 /nfs/dbraw/zinc/81/20/49/1067812049.db2.gz YXBKFPGCKCYJBY-JOCHJYFZSA-N 0 0 488.076 4.990 20 0 JJADRN Cc1ccc([C@@H](NCc2ccc3c(c2)OCCCCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461257172 1067812069 /nfs/dbraw/zinc/81/20/69/1067812069.db2.gz WKJHDOCELLGLBR-AREMUKBSSA-N 0 0 451.588 4.829 20 0 JJADRN COc1cccc(C(NCc2cn3ccc(Br)cc3n2)c2cccc(OC)c2)c1 ZINC001461258123 1067812593 /nfs/dbraw/zinc/81/25/93/1067812593.db2.gz WBBSRLBLKCZIAR-UHFFFAOYSA-N 0 0 452.352 4.993 20 0 JJADRN Cc1cc(C(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)cc(C)c1OC(F)F ZINC001461260957 1067812908 /nfs/dbraw/zinc/81/29/08/1067812908.db2.gz AULPWNOFLQKQKE-UHFFFAOYSA-N 0 0 451.271 4.632 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(COc3ccc(C)cc3C)o2)C1 ZINC001461263150 1067813619 /nfs/dbraw/zinc/81/36/19/1067813619.db2.gz IEKRLSXMHRNQKJ-LJQANCHMSA-N 0 0 451.494 4.997 20 0 JJADRN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC001461277369 1067816493 /nfs/dbraw/zinc/81/64/93/1067816493.db2.gz MFMCAZARDCRQEB-IBGZPJMESA-N 0 0 454.398 4.917 20 0 JJADRN CCc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC001461279726 1067816640 /nfs/dbraw/zinc/81/66/40/1067816640.db2.gz ZRGDEPSKEJDBLW-UHFFFAOYSA-N 0 0 454.979 4.584 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)c2ccccc21 ZINC001461280014 1067816770 /nfs/dbraw/zinc/81/67/70/1067816770.db2.gz BMRVOIPTNJCINU-PMACEKPBSA-N 0 0 455.576 4.627 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c2ccccc21 ZINC001461281469 1067817215 /nfs/dbraw/zinc/81/72/15/1067817215.db2.gz FVMCGRWUYVLBBS-RXVVDRJESA-N 0 0 454.954 4.767 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC001461286298 1067818107 /nfs/dbraw/zinc/81/81/07/1067818107.db2.gz FPZAZEPYJYJSKB-ROUUACIJSA-N 0 0 450.539 4.650 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC001461287151 1067818583 /nfs/dbraw/zinc/81/85/83/1067818583.db2.gz GKYQIFJPHZTLKB-WBVHZDCISA-N 0 0 455.521 4.823 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CCCC1 ZINC001461288324 1067818934 /nfs/dbraw/zinc/81/89/34/1067818934.db2.gz VTHRFFPZKUYOGS-WOJBJXKFSA-N 0 0 458.599 4.758 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001461289077 1067819436 /nfs/dbraw/zinc/81/94/36/1067819436.db2.gz XNHFNBFWVKUMQN-VXKWHMMOSA-N 0 0 450.579 4.763 20 0 JJADRN CN(C(=O)c1ccn(-c2ccccc2F)n1)c1nccc(-c2sccc2Br)n1 ZINC001461289973 1067819502 /nfs/dbraw/zinc/81/95/02/1067819502.db2.gz AGDWOWKRHZXFNV-UHFFFAOYSA-N 0 0 458.316 4.569 20 0 JJADRN COc1c(Br)cc(Br)cc1CNc1ccc2c(c1)CCC(=O)N2C ZINC001461290309 1067819568 /nfs/dbraw/zinc/81/95/68/1067819568.db2.gz CWZRRYPNTLMRRQ-UHFFFAOYSA-N 0 0 454.162 4.741 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1nccc(Br)c1Cl ZINC001461293575 1067820421 /nfs/dbraw/zinc/82/04/21/1067820421.db2.gz KNVRHLFFSRZZHS-CQSZACIVSA-N 0 0 456.724 4.564 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nccc(Br)c1Cl ZINC001461295605 1067820704 /nfs/dbraw/zinc/82/07/04/1067820704.db2.gz SAKMUIXYYBJSQT-HNNXBMFYSA-N 0 0 454.752 4.777 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1cccc(OCc2ccc(F)cc2F)c1 ZINC001461296807 1067821008 /nfs/dbraw/zinc/82/10/08/1067821008.db2.gz JYDCBYDDYKUPSM-UHFFFAOYSA-N 0 0 452.501 4.937 20 0 JJADRN CCOc1cc(C(=O)N2CCOc3cc(F)c(F)cc32)ccc1OCCOc1ccccc1 ZINC001461297365 1067821129 /nfs/dbraw/zinc/82/11/29/1067821129.db2.gz XMDIEDMSWYZOSL-UHFFFAOYSA-N 0 0 455.457 4.861 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)c3cc(Cl)ccc3OCCOC)sc2c1C ZINC001461298045 1067821339 /nfs/dbraw/zinc/82/13/39/1067821339.db2.gz QGRCWQRMFXNNLT-UHFFFAOYSA-N 0 0 454.957 4.774 20 0 JJADRN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001461298405 1067821712 /nfs/dbraw/zinc/82/17/12/1067821712.db2.gz ZRJPWJUYDLPLKA-FQEVSTJZSA-N 0 0 453.336 4.748 20 0 JJADRN COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)c3ccsc3)[C@H]2c2ccccc2OC)cc1 ZINC001461302623 1067822923 /nfs/dbraw/zinc/82/29/23/1067822923.db2.gz XIBNVRJOAIWBDT-ZJSXRUAMSA-N 0 0 450.560 4.913 20 0 JJADRN CC(F)(F)C(C)(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC001461303364 1067822958 /nfs/dbraw/zinc/82/29/58/1067822958.db2.gz ZSOWVAHHPZTUKE-UHFFFAOYSA-N 0 0 452.477 4.855 20 0 JJADRN Cc1noc(C(F)(F)F)c1C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461302987 1067823271 /nfs/dbraw/zinc/82/32/71/1067823271.db2.gz HEYDNYSEYQICEB-UHFFFAOYSA-N 0 0 459.140 4.822 20 0 JJADRN COc1cc(-c2noc(CCC(=O)NC3(c4ccccc4C)CCC3)n2)cc(Cl)c1OC ZINC001461305065 1067823666 /nfs/dbraw/zinc/82/36/66/1067823666.db2.gz HWMYOZJVGCGXEM-UHFFFAOYSA-N 0 0 455.942 4.844 20 0 JJADRN O=C(c1ccc(OC(F)F)cn1)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461304229 1067823701 /nfs/dbraw/zinc/82/37/01/1067823701.db2.gz KXWNZCHBHORTJE-UHFFFAOYSA-N 0 0 453.161 4.504 20 0 JJADRN COc1cc(OC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)ccc1F ZINC001461306730 1067823872 /nfs/dbraw/zinc/82/38/72/1067823872.db2.gz GYABDEBIWYZCQU-UHFFFAOYSA-N 0 0 458.283 4.997 20 0 JJADRN C=CC(=O)Nc1ccc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)cc1 ZINC001461305347 1067824121 /nfs/dbraw/zinc/82/41/21/1067824121.db2.gz POINCGLJNURPSE-UHFFFAOYSA-N 0 0 455.230 4.632 20 0 JJADRN COc1cc(C(=O)Nc2ncn(C(C)C)n2)ccc1OCc1ccc(Br)s1 ZINC001461306659 1067824134 /nfs/dbraw/zinc/82/41/34/1067824134.db2.gz GKXKPFKVJKVPBO-UHFFFAOYSA-N 0 0 451.346 4.523 20 0 JJADRN CC[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)[C@H](C)CO1 ZINC001461314167 1067825960 /nfs/dbraw/zinc/82/59/60/1067825960.db2.gz DQHKPWYGTKYUCP-CJNGLKHVSA-N 0 0 450.486 4.654 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461315090 1067826525 /nfs/dbraw/zinc/82/65/25/1067826525.db2.gz IZACABDAOZIGOW-GOSISDBHSA-N 0 0 456.468 4.690 20 0 JJADRN CC(C)n1c2ccc(C(=O)NCCc3ccc4c(c3)OC(F)(F)O4)cc2nc1C(F)(F)F ZINC001461319057 1067827349 /nfs/dbraw/zinc/82/73/49/1067827349.db2.gz QZLWXONZIIQSSB-UHFFFAOYSA-N 0 0 455.383 4.930 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001461326840 1067829005 /nfs/dbraw/zinc/82/90/05/1067829005.db2.gz XXUUPLVLOXKZLC-HJPURHCSSA-N 0 0 451.485 4.889 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001461327289 1067829745 /nfs/dbraw/zinc/82/97/45/1067829745.db2.gz DOXPAMRXCGFVFP-MMOPVJDHSA-N 0 0 457.619 4.866 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CCOc2ccc(F)c(Cl)c2)c(F)c1 ZINC001461328973 1067829871 /nfs/dbraw/zinc/82/98/71/1067829871.db2.gz FIRFGWOXGWLSPC-UHFFFAOYSA-N 0 0 454.901 4.728 20 0 JJADRN CN(CCOc1ccccc1C(=O)NCC1(c2ccccc2F)CCC1)C(=O)OC(C)(C)C ZINC001461329335 1067830340 /nfs/dbraw/zinc/83/03/40/1067830340.db2.gz IPUJVCXFEYTVQY-UHFFFAOYSA-N 0 0 456.558 4.923 20 0 JJADRN CCn1cnnc1-c1cccc(NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)c1 ZINC001461330024 1067830398 /nfs/dbraw/zinc/83/03/98/1067830398.db2.gz DIUJZQPLVFFJFC-IBGZPJMESA-N 0 0 451.571 4.728 20 0 JJADRN Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461329666 1067830471 /nfs/dbraw/zinc/83/04/71/1067830471.db2.gz KWAKCLHZNDIWFA-DNVCBOLYSA-N 0 0 453.421 4.842 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001461335347 1067831321 /nfs/dbraw/zinc/83/13/21/1067831321.db2.gz UVDIAOROICLQLA-BEFAXECRSA-N 0 0 451.539 4.550 20 0 JJADRN Cc1ccccc1-c1cc(NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)n(C)n1 ZINC001461336034 1067831732 /nfs/dbraw/zinc/83/17/32/1067831732.db2.gz ZSLAMADQMUKXOV-UHFFFAOYSA-N 0 0 451.571 4.658 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(F)c(Br)c2)c(F)c1 ZINC001461336552 1067831767 /nfs/dbraw/zinc/83/17/67/1067831767.db2.gz TVCCXSSKPKCGHP-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN CS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC001461336967 1067831792 /nfs/dbraw/zinc/83/17/92/1067831792.db2.gz SKVHNUPZYHLCKX-UHFFFAOYSA-N 0 0 453.951 4.858 20 0 JJADRN CCCCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[C@H]1CCc2ncsc2C1 ZINC001461338926 1067832737 /nfs/dbraw/zinc/83/27/37/1067832737.db2.gz MSHHOMCFIBJWJQ-FQTAANOTSA-N 0 0 451.636 4.581 20 0 JJADRN CCCCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[C@@H]1CCc2ncsc2C1 ZINC001461338930 1067832916 /nfs/dbraw/zinc/83/29/16/1067832916.db2.gz MSHHOMCFIBJWJQ-RUCTVCJSSA-N 0 0 451.636 4.581 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(C)(=O)=O)c2ccncc12 ZINC001461340359 1067833204 /nfs/dbraw/zinc/83/32/04/1067833204.db2.gz QKMWLGOBYHOHBX-HNNXBMFYSA-N 0 0 450.482 4.865 20 0 JJADRN Cn1cc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c(I)n1 ZINC001461341296 1067833940 /nfs/dbraw/zinc/83/39/40/1067833940.db2.gz AQFHTESYCAEQES-QGZVFWFLSA-N 0 0 455.702 4.696 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3csc(-c4ccccc4)n3)c2)C1 ZINC001461345758 1067834617 /nfs/dbraw/zinc/83/46/17/1067834617.db2.gz UHRNCXGWWYQJIT-CALCHBBNSA-N 0 0 455.605 4.729 20 0 JJADRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001461351854 1067836410 /nfs/dbraw/zinc/83/64/10/1067836410.db2.gz APFWSLDKZQIZNU-UHFFFAOYSA-N 0 0 457.445 4.865 20 0 JJADRN CO[C@H](C(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccc(Br)s1 ZINC001461357416 1067837356 /nfs/dbraw/zinc/83/73/56/1067837356.db2.gz CJOSHQNXBSMCGV-SFHVURJKSA-N 0 0 451.317 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2ccc(Br)cc2)C12CCCC2 ZINC001461358114 1067837701 /nfs/dbraw/zinc/83/77/01/1067837701.db2.gz CLSAFJWZWOBDCB-SFHVURJKSA-N 0 0 451.405 4.820 20 0 JJADRN Cc1cc(C(=O)N2CCc3ccccc3[C@@H](C)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001461362433 1067838913 /nfs/dbraw/zinc/83/89/13/1067838913.db2.gz USMWGVYUYQTQLJ-FQEVSTJZSA-N 0 0 454.636 4.526 20 0 JJADRN Cc1cccc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)c1Br ZINC001461365201 1067839416 /nfs/dbraw/zinc/83/94/16/1067839416.db2.gz RIQHDGJLSZFNPN-QGZVFWFLSA-N 0 0 451.405 4.738 20 0 JJADRN CC[C@@H](OCCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001461365982 1067839880 /nfs/dbraw/zinc/83/98/80/1067839880.db2.gz PTADPCRSNJTBMT-GOSISDBHSA-N 0 0 458.521 4.850 20 0 JJADRN COc1ccc([C@@H](NCc2cnc(NC(=O)OC(C)(C)C)cn2)c2ccccc2OC)cc1 ZINC001461370603 1067840095 /nfs/dbraw/zinc/84/00/95/1067840095.db2.gz NRQWJSLVWKBXJY-HSZRJFAPSA-N 0 0 450.539 4.720 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H]4CCC[C@]4(CNC(=O)OC(C)(C)C)C3)o2)cc1 ZINC001461369339 1067840209 /nfs/dbraw/zinc/84/02/09/1067840209.db2.gz LTNCXAPYCXSAKX-FNZWTVRRSA-N 0 0 453.583 4.736 20 0 JJADRN CC(C)(C(=O)N1CCC(C2CCCCC2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001461369598 1067840226 /nfs/dbraw/zinc/84/02/26/1067840226.db2.gz KLSIROACOXBUFX-UHFFFAOYSA-N 0 0 456.446 4.820 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC001461374105 1067841053 /nfs/dbraw/zinc/84/10/53/1067841053.db2.gz UPHMKSVKNKZUDG-FDQGKXFDSA-N 0 0 469.420 4.964 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461378895 1067841802 /nfs/dbraw/zinc/84/18/02/1067841802.db2.gz HGJGMVSVFPUMLA-QSAZIKIQSA-N 0 0 470.532 4.917 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 ZINC001461381835 1067843552 /nfs/dbraw/zinc/84/35/52/1067843552.db2.gz QKQKHBHSTWPIQK-QKKBWIMNSA-N 0 0 455.368 4.664 20 0 JJADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001461385724 1067844309 /nfs/dbraw/zinc/84/43/09/1067844309.db2.gz MCMGTYOYEYAABH-YOSAUDMPSA-N 0 0 458.624 4.598 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N3[C@H](C)CC[C@@H]3C(=O)OC(C)(C)C)cc2Br)no1 ZINC001461391697 1067844910 /nfs/dbraw/zinc/84/49/10/1067844910.db2.gz ALSGWINACPOLHW-FZKQIMNGSA-N 0 0 479.371 4.659 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)sc3C2)nc1 ZINC001461389265 1067845059 /nfs/dbraw/zinc/84/50/59/1067845059.db2.gz KAWKHYBAIUIRIV-UHFFFAOYSA-N 0 0 450.564 4.680 20 0 JJADRN COc1cc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc(Br)c1OC ZINC001461393117 1067845506 /nfs/dbraw/zinc/84/55/06/1067845506.db2.gz ZGHSMRBPZISNTF-UHFFFAOYSA-N 0 0 459.365 4.788 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3ccc(Br)cc3F)cc2C1 ZINC001461401617 1067847154 /nfs/dbraw/zinc/84/71/54/1067847154.db2.gz YRSSXEQCMONBJV-INIZCTEOSA-N 0 0 450.352 4.977 20 0 JJADRN Cc1ccc(CC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)c(Br)c1 ZINC001461406933 1067848300 /nfs/dbraw/zinc/84/83/00/1067848300.db2.gz HMFCVSYPKOXIOR-GOSISDBHSA-N 0 0 453.174 4.663 20 0 JJADRN CCc1ccc(Br)cc1C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001461410389 1067849220 /nfs/dbraw/zinc/84/92/20/1067849220.db2.gz LSMMJNWDNVOGKG-SFHVURJKSA-N 0 0 453.174 4.988 20 0 JJADRN C[C@@H](C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC001461412050 1067849482 /nfs/dbraw/zinc/84/94/82/1067849482.db2.gz PINGZHIHFNPFKX-FZKQIMNGSA-N 0 0 453.174 4.915 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3CCOC[C@H]3c3ccc(Br)cc3)o2)cc1 ZINC001461415051 1067850397 /nfs/dbraw/zinc/85/03/97/1067850397.db2.gz XWQVPZODDAXKIJ-FQEVSTJZSA-N 0 0 455.352 4.945 20 0 JJADRN O=C(CC[C@@H]1CCc2ccccc21)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461419712 1067852062 /nfs/dbraw/zinc/85/20/62/1067852062.db2.gz PPIKDUNDAYATJD-HSQYWUDLSA-N 0 0 462.487 4.699 20 0 JJADRN CS(=O)(=O)N1CCc2c1cccc2NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001461423319 1067853022 /nfs/dbraw/zinc/85/30/22/1067853022.db2.gz KVWOVQZEQHFKNC-UHFFFAOYSA-N 0 0 453.511 4.763 20 0 JJADRN O=C(Cc1ccccc1I)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC001461422075 1067853251 /nfs/dbraw/zinc/85/32/51/1067853251.db2.gz SZKLMKXDYWXVLK-UHFFFAOYSA-N 0 0 455.708 4.644 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(COc2ccccc2F)on1 ZINC001461429400 1067853944 /nfs/dbraw/zinc/85/39/44/1067853944.db2.gz BRASPHYKXCHXJR-LHSJRXKWSA-N 0 0 475.314 4.757 20 0 JJADRN Cc1ccncc1CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001461429581 1067854018 /nfs/dbraw/zinc/85/40/18/1067854018.db2.gz DVNVZIMLQPTZQB-UHFFFAOYSA-N 0 0 452.352 4.686 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001461437037 1067856401 /nfs/dbraw/zinc/85/64/01/1067856401.db2.gz TYBJUEBCSPDAQJ-UHFFFAOYSA-N 0 0 454.416 4.616 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001461439917 1067856756 /nfs/dbraw/zinc/85/67/56/1067856756.db2.gz HPGLXLLHSFMXLR-JOCHJYFZSA-N 0 0 454.347 4.695 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)OC)CCC2 ZINC001461446814 1067858638 /nfs/dbraw/zinc/85/86/38/1067858638.db2.gz YDUFDYZHYVXEDJ-HXUWFJFHSA-N 0 0 457.526 4.777 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CCC2 ZINC001461447712 1067859173 /nfs/dbraw/zinc/85/91/73/1067859173.db2.gz NSYMBVIXNIZAOC-QGZVFWFLSA-N 0 0 457.452 4.528 20 0 JJADRN O=C(c1csc(C2CCCCC2)n1)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447458 1067859180 /nfs/dbraw/zinc/85/91/80/1067859180.db2.gz MGAHFSVFWSFHIV-SJLPKXTDSA-N 0 0 457.562 4.986 20 0 JJADRN O=C(c1cc2ccccc2c(Cl)n1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461448170 1067859198 /nfs/dbraw/zinc/85/91/98/1067859198.db2.gz OOSLCONZIYXYKP-QAPCUYQASA-N 0 0 453.892 4.684 20 0 JJADRN Cc1ccc(CCNC(=O)c2ccc(I)c(Br)c2)cc1C ZINC001461448540 1067859202 /nfs/dbraw/zinc/85/92/02/1067859202.db2.gz PYUJZWNNKDTLMU-UHFFFAOYSA-N 0 0 458.137 4.643 20 0 JJADRN O=C(c1sc2ncccc2c1Cl)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461451193 1067859736 /nfs/dbraw/zinc/85/97/36/1067859736.db2.gz YUTHPWLATOZKMO-OCCSQVGLSA-N 0 0 459.921 4.745 20 0 JJADRN CC(C)(C)OC(=O)c1ccc2c(c1)CCCN2C(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C ZINC001461450953 1067859925 /nfs/dbraw/zinc/85/99/25/1067859925.db2.gz LKQOPLLXUBYXEQ-UHFFFAOYSA-N 0 0 456.583 4.853 20 0 JJADRN COc1cc(Cl)c(CNCc2ccc(Cl)cc2I)cc1OC ZINC001461458475 1067861758 /nfs/dbraw/zinc/86/17/58/1067861758.db2.gz AOSWEVRMSMBBDG-UHFFFAOYSA-N 0 0 452.119 4.905 20 0 JJADRN FC(F)(F)COc1cnccc1CNCc1cc(Br)ccc1Br ZINC001461464329 1067863166 /nfs/dbraw/zinc/86/31/66/1067863166.db2.gz NFKDTCOGKGBCCZ-UHFFFAOYSA-N 0 0 454.084 4.838 20 0 JJADRN CNC(=O)CNC(=O)c1cccc(NCc2cc(F)ccc2Oc2ccc(Cl)cc2C)c1 ZINC001461465590 1067863713 /nfs/dbraw/zinc/86/37/13/1067863713.db2.gz VUASMWCGAASMRE-UHFFFAOYSA-N 0 0 455.917 4.668 20 0 JJADRN Cc1ccc(NC(=O)N(C)C)cc1NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001461467225 1067864120 /nfs/dbraw/zinc/86/41/20/1067864120.db2.gz YUSSJKFTALMYSM-GOSISDBHSA-N 0 0 456.587 4.852 20 0 JJADRN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001461467927 1067864898 /nfs/dbraw/zinc/86/48/98/1067864898.db2.gz NUKRQLPWKSEABR-IPHXSNPTSA-N 0 0 459.562 4.834 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(Cl)ccc2I)ccn1 ZINC001461469496 1067865442 /nfs/dbraw/zinc/86/54/42/1067865442.db2.gz VUTDURUOSWORHY-UHFFFAOYSA-N 0 0 458.683 4.547 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)Cc2ccccc2)C1 ZINC001461469212 1067865450 /nfs/dbraw/zinc/86/54/50/1067865450.db2.gz UHVZGZCXHNVGGC-NHCUHLMSSA-N 0 0 462.512 4.913 20 0 JJADRN O=C(COc1ccc(F)cc1Br)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC001461470414 1067865872 /nfs/dbraw/zinc/86/58/72/1067865872.db2.gz KINZOCZRCCZGRK-FQEVSTJZSA-N 0 0 456.739 4.529 20 0 JJADRN COc1ccc(C(C)(C)C(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc1OC ZINC001461471642 1067866153 /nfs/dbraw/zinc/86/61/53/1067866153.db2.gz RFGCGTCIECDNNO-QGZVFWFLSA-N 0 0 450.398 4.848 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)c2nsc3ccccc32)cc1 ZINC001461471593 1067866159 /nfs/dbraw/zinc/86/61/59/1067866159.db2.gz FWPRJOUEXCTGHA-UHFFFAOYSA-N 0 0 451.573 4.788 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC001461473641 1067866827 /nfs/dbraw/zinc/86/68/27/1067866827.db2.gz FFSATSMDRVFGRF-WMZOPIPTSA-N 0 0 480.392 4.920 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2Br)ccn1 ZINC001461472822 1067866921 /nfs/dbraw/zinc/86/69/21/1067866921.db2.gz JHWTWZWLWFKBAR-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cn1 ZINC001461474108 1067867293 /nfs/dbraw/zinc/86/72/93/1067867293.db2.gz FQIPUXPKHITXIC-IFMALSPDSA-N 0 0 481.593 4.560 20 0 JJADRN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC001461474941 1067867638 /nfs/dbraw/zinc/86/76/38/1067867638.db2.gz DPRKZZSRDNWBKP-QHCPKHFHSA-N 0 0 459.516 4.706 20 0 JJADRN CC(C)c1c(NCc2cn(C)nc2I)cnn1-c1ccc(Cl)cc1 ZINC001461474406 1067867763 /nfs/dbraw/zinc/86/77/63/1067867763.db2.gz RTSZUOLSLHSTFN-UHFFFAOYSA-N 0 0 455.731 4.599 20 0 JJADRN CCOc1c(Cl)cc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OC ZINC001461475454 1067868094 /nfs/dbraw/zinc/86/80/94/1067868094.db2.gz LDCIVCPJHDPWKT-UHFFFAOYSA-N 0 0 458.990 4.540 20 0 JJADRN Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461477022 1067868741 /nfs/dbraw/zinc/86/87/41/1067868741.db2.gz LXODOKPFDNKFMB-WOJBJXKFSA-N 0 0 455.624 4.927 20 0 JJADRN CN(C)c1ncc(Br)c(C(=O)N2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC001461476632 1067868871 /nfs/dbraw/zinc/86/88/71/1067868871.db2.gz UVTBKHJJTNRENS-QHCPKHFHSA-N 0 0 459.432 4.840 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@](C(=O)OCC)(C2CCC2)C(F)(F)F)cc1OC ZINC001461478288 1067869657 /nfs/dbraw/zinc/86/96/57/1067869657.db2.gz UPWZBKLTHZMPNV-LJQANCHMSA-N 0 0 451.869 4.532 20 0 JJADRN COc1ccc(N2C[C@H](NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)CC2=O)cc1 ZINC001461479249 1067870153 /nfs/dbraw/zinc/87/01/53/1067870153.db2.gz NTWRQNSDOMQFNB-HOYKHHGWSA-N 0 0 450.535 4.589 20 0 JJADRN C[C@@H](COc1c(F)cccc1F)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001461481042 1067870805 /nfs/dbraw/zinc/87/08/05/1067870805.db2.gz OUUUJBJLMROLGQ-DFQSSKMNSA-N 0 0 474.548 4.574 20 0 JJADRN COC(=O)[C@H](NC(=O)c1ccc(Oc2ncccc2C)cc1)c1ccccc1Br ZINC001461481244 1067870831 /nfs/dbraw/zinc/87/08/31/1067870831.db2.gz DBWHWGFBVVVADZ-LJQANCHMSA-N 0 0 455.308 4.589 20 0 JJADRN Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461481755 1067871387 /nfs/dbraw/zinc/87/13/87/1067871387.db2.gz ZRZTZADUWUQPRU-TZIWHRDSSA-N 0 0 465.550 4.695 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC001461483806 1067871781 /nfs/dbraw/zinc/87/17/81/1067871781.db2.gz AVLXGDZAWPZQGN-UHFFFAOYSA-N 0 0 458.967 4.939 20 0 JJADRN COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(NC(=O)c3cccs3)c1)CC2 ZINC001546124764 1067871892 /nfs/dbraw/zinc/87/18/92/1067871892.db2.gz JCWLOXCXCJJXOE-UHFFFAOYSA-N 0 0 454.935 4.639 20 0 JJADRN Cc1ccc(NCc2cc(C)c(Br)cn2)cc1S(=O)(=O)N1CCCCCC1 ZINC001461484286 1067872193 /nfs/dbraw/zinc/87/21/93/1067872193.db2.gz HASWSVKJQNPQBW-UHFFFAOYSA-N 0 0 452.418 4.638 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCCOc1ccc(C)cc1Cl)c1ccccc1Br ZINC001461485701 1067872600 /nfs/dbraw/zinc/87/26/00/1067872600.db2.gz RLICSZCXRGWAMV-IBGZPJMESA-N 0 0 454.748 4.600 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)Nc3cccc4c3ccn4C(F)F)n2)CCCCCC1 ZINC001461491336 1067874602 /nfs/dbraw/zinc/87/46/02/1067874602.db2.gz CLCNVNZECZRCPV-UHFFFAOYSA-N 0 0 459.497 4.676 20 0 JJADRN CCOc1ccc(NCc2ccc(Oc3ccc(OC)cc3)cc2)cc1S(=O)(=O)N(C)C ZINC001461493132 1067875197 /nfs/dbraw/zinc/87/51/97/1067875197.db2.gz IKXDHQVWIADULW-UHFFFAOYSA-N 0 0 456.564 4.749 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001461494803 1067875526 /nfs/dbraw/zinc/87/55/26/1067875526.db2.gz NNTCNOKWFHJINJ-SFHVURJKSA-N 0 0 452.576 4.846 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001461496770 1067876456 /nfs/dbraw/zinc/87/64/56/1067876456.db2.gz ZGLHWDWNSHLGQZ-UHFFFAOYSA-N 0 0 454.470 4.836 20 0 JJADRN COc1cc(OC(=O)c2ccc(OCc3cscn3)c(OC)c2)ccc1Br ZINC001461502215 1067877885 /nfs/dbraw/zinc/87/78/85/1067877885.db2.gz COECVJFDTGYDRE-UHFFFAOYSA-N 0 0 450.310 4.721 20 0 JJADRN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1 ZINC001461507226 1067878581 /nfs/dbraw/zinc/87/85/81/1067878581.db2.gz FOTCEHCNDBTXCP-LJQANCHMSA-N 0 0 450.398 4.837 20 0 JJADRN CC[C@H](Cc1ccc(F)cc1)NC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461509476 1067879193 /nfs/dbraw/zinc/87/91/93/1067879193.db2.gz NBESRDVSBPHVEM-NHCUHLMSSA-N 0 0 458.578 4.654 20 0 JJADRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461509479 1067879236 /nfs/dbraw/zinc/87/92/36/1067879236.db2.gz NBESRDVSBPHVEM-SFTDATJTSA-N 0 0 458.578 4.654 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)[C@@]3(C(=O)OC(C)(C)C)CC3(C)C)nc21 ZINC001461519198 1067880393 /nfs/dbraw/zinc/88/03/93/1067880393.db2.gz KOGJRINFLKZLIJ-LJQANCHMSA-N 0 0 455.374 4.764 20 0 JJADRN CCOC(=O)N1CCC(C(=O)O[C@H](c2ccc(Br)cc2C)C(F)(F)F)CC1 ZINC001461531964 1067882339 /nfs/dbraw/zinc/88/23/39/1067882339.db2.gz XKUPNLJWMWFFHB-OAHLLOKOSA-N 0 0 452.267 4.773 20 0 JJADRN Cc1cc(Br)ccc1[C@H](OC(=O)CCNC(=O)C1CCCCC1)C(F)(F)F ZINC001461531477 1067882431 /nfs/dbraw/zinc/88/24/31/1067882431.db2.gz WMDPWWJLCOWXGF-KRWDZBQOSA-N 0 0 450.295 4.991 20 0 JJADRN CCn1c(SCC(=O)Nc2nnc(CCC(C)C)s2)nnc1-c1ccc(Cl)cc1 ZINC001461532475 1067882937 /nfs/dbraw/zinc/88/29/37/1067882937.db2.gz QBYFISNQBXMPAL-UHFFFAOYSA-N 0 0 451.021 4.789 20 0 JJADRN CO[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001461544202 1067885175 /nfs/dbraw/zinc/88/51/75/1067885175.db2.gz OCPBQIXGNCTDJR-FQEVSTJZSA-N 0 0 454.368 4.943 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3coc4c3ccc(Cl)c4Cl)CC(=O)N2C(C)(C)C)cn1 ZINC001461543769 1067885249 /nfs/dbraw/zinc/88/52/49/1067885249.db2.gz XMOQXLZQDNVLEW-ASSNKEHSSA-N 0 0 477.392 4.520 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001461543779 1067885397 /nfs/dbraw/zinc/88/53/97/1067885397.db2.gz YHNOZHRZFGNAHS-UTKZUKDTSA-N 0 0 478.559 4.512 20 0 JJADRN CCc1c(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cnn1-c1ccc(OC)cc1 ZINC001461545394 1067885831 /nfs/dbraw/zinc/88/58/31/1067885831.db2.gz VYLSAAHJTNXFEW-UHFFFAOYSA-N 0 0 450.539 4.720 20 0 JJADRN COc1ccccc1-n1nccc1CNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001461547706 1067886280 /nfs/dbraw/zinc/88/62/80/1067886280.db2.gz GMFOXXDGUHCXMD-UHFFFAOYSA-N 0 0 450.539 4.623 20 0 JJADRN CCc1ccccc1[C@H](CNCc1c(F)cncc1Br)NC(=O)OC(C)(C)C ZINC001461548944 1067886332 /nfs/dbraw/zinc/88/63/32/1067886332.db2.gz JFWVXGSZLKZXRB-IBGZPJMESA-N 0 0 452.368 4.901 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)sc1-c1ccc(F)cc1 ZINC001461557383 1067887483 /nfs/dbraw/zinc/88/74/83/1067887483.db2.gz BQRKDYHCBCPENQ-HKBQPEDESA-N 0 0 459.568 4.830 20 0 JJADRN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001461557358 1067887671 /nfs/dbraw/zinc/88/76/71/1067887671.db2.gz LNQFPOKGJUACSQ-SFHVURJKSA-N 0 0 454.748 4.714 20 0 JJADRN O=S(=O)(c1cc(NCc2cnc(-c3ccccc3F)s2)ccc1Cl)N1CCCC1 ZINC001461559773 1067887867 /nfs/dbraw/zinc/88/78/67/1067887867.db2.gz OWWZQFVJXLCAJW-UHFFFAOYSA-N 0 0 451.976 4.999 20 0 JJADRN Cc1cc(CNc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c(OC(F)F)cc1C ZINC001461559905 1067888079 /nfs/dbraw/zinc/88/80/79/1067888079.db2.gz KZPIIGNBIDBUIJ-UHFFFAOYSA-N 0 0 451.539 4.768 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001461561279 1067888408 /nfs/dbraw/zinc/88/84/08/1067888408.db2.gz OVSQAKUZWXFUFF-JKGBWWFKSA-N 0 0 455.502 4.552 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ncc(I)s1 ZINC001461561834 1067888572 /nfs/dbraw/zinc/88/85/72/1067888572.db2.gz YPNMWDFHYKHKPH-ZDUSSCGKSA-N 0 0 455.365 4.683 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3n[nH]c4ccc(Cl)cc43)cc2)C1 ZINC001461567640 1067890430 /nfs/dbraw/zinc/89/04/30/1067890430.db2.gz CWBVGPRYUZJOIO-LJQANCHMSA-N 0 0 456.930 4.777 20 0 JJADRN Cc1[nH+]c2cc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2n1[C@H](C)CO ZINC001461573181 1067891054 /nfs/dbraw/zinc/89/10/54/1067891054.db2.gz VTIMBYGPYJSCGE-QGZVFWFLSA-N 0 0 450.583 4.803 20 0 JJADRN COC(=O)[C@@](C)(CCF)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001461576141 1067892032 /nfs/dbraw/zinc/89/20/32/1067892032.db2.gz UIIFIXLBYGPQPI-JOCHJYFZSA-N 0 0 459.315 4.685 20 0 JJADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001546125435 1067892051 /nfs/dbraw/zinc/89/20/51/1067892051.db2.gz DWMKTYKNNSTKME-PXNSSMCTSA-N 0 0 482.547 4.789 20 0 JJADRN CC(C)Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1-c1ccccc1 ZINC001461576501 1067892221 /nfs/dbraw/zinc/89/22/21/1067892221.db2.gz PEWIPTCJLAHMBF-NRFANRHFSA-N 0 0 452.599 4.868 20 0 JJADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c3ccc(Br)cc3C)C1)[C@H](C)C2 ZINC001461583168 1067893966 /nfs/dbraw/zinc/89/39/66/1067893966.db2.gz VWKCKNBSYMXLGS-BOCKYXSRSA-N 0 0 469.423 4.968 20 0 JJADRN O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001461585530 1067894397 /nfs/dbraw/zinc/89/43/97/1067894397.db2.gz XVZAZTAQPJFCLB-OAQYLSRUSA-N 0 0 455.341 4.886 20 0 JJADRN COc1cc(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)ccc1C(F)(F)F ZINC001461585111 1067894431 /nfs/dbraw/zinc/89/44/31/1067894431.db2.gz XFTGDGUHLOCYCA-NRFANRHFSA-N 0 0 454.448 4.841 20 0 JJADRN CCC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001461585609 1067895003 /nfs/dbraw/zinc/89/50/03/1067895003.db2.gz RSGPBCYQJKLPDX-KRWDZBQOSA-N 0 0 457.368 4.841 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](CCOC)C2)CCOCC1 ZINC001546125579 1067895742 /nfs/dbraw/zinc/89/57/42/1067895742.db2.gz HEYOWDFMMXIAIN-WOJBJXKFSA-N 0 0 460.594 4.627 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3C[C@@H](c4cccc(Cl)c4)OCC3(C)C)c2)o1 ZINC001461595519 1067896919 /nfs/dbraw/zinc/89/69/19/1067896919.db2.gz FVBDJEWZTIDYQF-FQEVSTJZSA-N 0 0 455.942 4.571 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC001546125619 1067897567 /nfs/dbraw/zinc/89/75/67/1067897567.db2.gz HYMZTELPXDBNMU-OALUTQOASA-N 0 0 460.594 4.768 20 0 JJADRN O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001461599944 1067898737 /nfs/dbraw/zinc/89/87/37/1067898737.db2.gz IXDZSVCPTJGFPY-UHFFFAOYSA-N 0 0 450.804 4.918 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001461600566 1067899154 /nfs/dbraw/zinc/89/91/54/1067899154.db2.gz XXTCXQYYJQMSOL-JOCHJYFZSA-N 0 0 458.986 4.627 20 0 JJADRN CCc1nc(C(=O)N2CCc3sc(Br)cc3C2)nn1-c1ccccc1Cl ZINC001461602002 1067899485 /nfs/dbraw/zinc/89/94/85/1067899485.db2.gz BBFOLTJGIUPJOJ-UHFFFAOYSA-N 0 0 451.777 4.506 20 0 JJADRN CSc1cc(Br)ccc1CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC001461605825 1067900500 /nfs/dbraw/zinc/90/05/00/1067900500.db2.gz STYCWFZTLSRBMA-UHFFFAOYSA-N 0 0 455.805 4.909 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)C1 ZINC001461611681 1067901534 /nfs/dbraw/zinc/90/15/34/1067901534.db2.gz KXQYBWNGNZTFHU-NHCUHLMSSA-N 0 0 461.672 4.502 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC001461612249 1067901545 /nfs/dbraw/zinc/90/15/45/1067901545.db2.gz UPLDSZJQSDZXCF-SFHVURJKSA-N 0 0 458.462 4.518 20 0 JJADRN CCCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001461612689 1067901840 /nfs/dbraw/zinc/90/18/40/1067901840.db2.gz QWNWARGWEXJKFZ-UHFFFAOYSA-N 0 0 452.979 4.706 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC[C@@H](OC)C2)CCOCC1 ZINC001546125717 1067901872 /nfs/dbraw/zinc/90/18/72/1067901872.db2.gz JUDFKRORPYHOBK-FGZHOGPDSA-N 0 0 456.631 4.857 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NCc2cnc3c(F)cccc3c2)c1 ZINC001461613945 1067902250 /nfs/dbraw/zinc/90/22/50/1067902250.db2.gz UJFCPYIVLXOLKC-UHFFFAOYSA-N 0 0 456.587 4.617 20 0 JJADRN CCOc1cc(CNc2ccc3c(cc[nH]c3=O)c2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC001461618656 1067902892 /nfs/dbraw/zinc/90/28/92/1067902892.db2.gz LGUYEXVUDDYKTM-UHFFFAOYSA-N 0 0 451.567 4.563 20 0 JJADRN COc1cc(CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)c(Br)cc1O ZINC001461622464 1067903663 /nfs/dbraw/zinc/90/36/63/1067903663.db2.gz FLNWCIZFKFYNDW-UHFFFAOYSA-N 0 0 452.299 4.534 20 0 JJADRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC001461622457 1067903756 /nfs/dbraw/zinc/90/37/56/1067903756.db2.gz PWESXNYABKHBAT-DLBZAZTESA-N 0 0 455.308 4.589 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001461626806 1067904346 /nfs/dbraw/zinc/90/43/46/1067904346.db2.gz IITSWFPMAHNVNM-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN FC(F)(F)COc1cc(NCc2ncc(C3OCCO3)s2)cc(OCC(F)(F)F)c1 ZINC001461636960 1067906818 /nfs/dbraw/zinc/90/68/18/1067906818.db2.gz XQMQUROEXLFEMY-UHFFFAOYSA-N 0 0 458.380 4.683 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)[C@@H](OC)c2ccc(Br)s2)c1Cl ZINC001461636580 1067906905 /nfs/dbraw/zinc/90/69/05/1067906905.db2.gz BVUILUDSEVYACR-ZDUSSCGKSA-N 0 0 453.141 4.930 20 0 JJADRN Cc1nn(CC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001461637676 1067907248 /nfs/dbraw/zinc/90/72/48/1067907248.db2.gz SORYCPKCCRRFKR-HNNXBMFYSA-N 0 0 459.516 4.749 20 0 JJADRN Cc1c(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cccc1NC(=O)OC(C)(C)C ZINC001461637960 1067907288 /nfs/dbraw/zinc/90/72/88/1067907288.db2.gz SONSOINLXCEGSO-UHFFFAOYSA-N 0 0 450.539 4.697 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC001461638355 1067907327 /nfs/dbraw/zinc/90/73/27/1067907327.db2.gz RREZHUWEXXSDIU-UHFFFAOYSA-N 0 0 458.515 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461649495 1067909413 /nfs/dbraw/zinc/90/94/13/1067909413.db2.gz OYVMPUYFUVBZCM-MDNUFGMLSA-N 0 0 458.719 4.706 20 0 JJADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)NCCc1ccc([Si](C)(C)C)cc1 ZINC001461648451 1067909475 /nfs/dbraw/zinc/90/94/75/1067909475.db2.gz KTBFICYDOBOLBU-UHFFFAOYSA-N 0 0 454.646 4.927 20 0 JJADRN C[C@H](NC(=O)c1cnn2cccc(Br)c12)c1cc(F)c(Br)cc1F ZINC001461652676 1067910548 /nfs/dbraw/zinc/91/05/48/1067910548.db2.gz CDUVBVSWXYEZBH-QMMMGPOBSA-N 0 0 459.088 4.629 20 0 JJADRN C[C@@H](NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)c1cc(F)c(Br)cc1F ZINC001461656114 1067911270 /nfs/dbraw/zinc/91/12/70/1067911270.db2.gz LEARNPDEZDOZDD-SNVBAGLBSA-N 0 0 456.287 4.960 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461657497 1067911641 /nfs/dbraw/zinc/91/16/41/1067911641.db2.gz DXSHPZFLJPZXQM-RCZVLFRGSA-N 0 0 471.475 4.738 20 0 JJADRN Cc1cc(Br)c(CNC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)s1 ZINC001461657025 1067911683 /nfs/dbraw/zinc/91/16/83/1067911683.db2.gz RNWLNECUXHEDIJ-QGZVFWFLSA-N 0 0 453.402 4.776 20 0 JJADRN CCCOc1ccc(CC(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1OCCC ZINC001461658976 1067912151 /nfs/dbraw/zinc/91/21/51/1067912151.db2.gz ITDNBLCKDWCKMU-WZONZLPQSA-N 0 0 451.485 4.858 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)c2c1C ZINC001461661797 1067912596 /nfs/dbraw/zinc/91/25/96/1067912596.db2.gz PPCYJOCGQIWCPB-RDTXWAMCSA-N 0 0 467.538 4.759 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461661907 1067912819 /nfs/dbraw/zinc/91/28/19/1067912819.db2.gz UAVIHCSKSLZHJZ-PQNGQFLHSA-N 0 0 468.475 4.599 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N(Cc2ccccc2F)CC2CC2)=NN1c1ccccc1 ZINC001461663925 1067913476 /nfs/dbraw/zinc/91/34/76/1067913476.db2.gz GEAULODBXAGRBT-QHCPKHFHSA-N 0 0 451.542 4.541 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC001461667321 1067914209 /nfs/dbraw/zinc/91/42/09/1067914209.db2.gz FXMHMKZNTGLWGO-KRWDZBQOSA-N 0 0 451.519 4.791 20 0 JJADRN COc1c(C)cc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001461677936 1067916305 /nfs/dbraw/zinc/91/63/05/1067916305.db2.gz KIQKNOHATWQSIY-AWEZNQCLSA-N 0 0 452.885 4.749 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001461677361 1067916476 /nfs/dbraw/zinc/91/64/76/1067916476.db2.gz LEVUTIHTNZCQOL-LJQANCHMSA-N 0 0 459.468 4.682 20 0 JJADRN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001461681315 1067917442 /nfs/dbraw/zinc/91/74/42/1067917442.db2.gz BRRGGUZFPTVBFM-PDSXEYIOSA-N 0 0 457.983 4.599 20 0 JJADRN O=C(N[C@@H](C(F)F)C1CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001461682844 1067917839 /nfs/dbraw/zinc/91/78/39/1067917839.db2.gz PUYNFAFJJHNNHQ-GOSISDBHSA-N 0 0 457.359 4.632 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001461687458 1067918295 /nfs/dbraw/zinc/91/82/95/1067918295.db2.gz PMRSOWQBLRHRMW-YCOJEUHLSA-N 0 0 459.365 4.537 20 0 JJADRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461693974 1067920053 /nfs/dbraw/zinc/92/00/53/1067920053.db2.gz ORTMCNGLWXBQAU-NHCUHLMSSA-N 0 0 467.566 4.641 20 0 JJADRN CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCc4cc(NC(=O)OC(C)(C)C)ccc43)CC2=O)CC1 ZINC001461695164 1067920059 /nfs/dbraw/zinc/92/00/59/1067920059.db2.gz ZTNFGOUXJJBBLU-VIUKZODJSA-N 0 0 455.599 4.564 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC001461694158 1067920069 /nfs/dbraw/zinc/92/00/69/1067920069.db2.gz RORAHQGXQSXWQI-FGZHOGPDSA-N 0 0 463.603 4.527 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2ccon2)CCOCC1 ZINC001546126339 1067920441 /nfs/dbraw/zinc/92/04/41/1067920441.db2.gz VCYUVCOMNJBEHQ-HXUWFJFHSA-N 0 0 453.587 4.866 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[C@H]1F ZINC001461700751 1067921443 /nfs/dbraw/zinc/92/14/43/1067921443.db2.gz WPEQQBCAPJNMMI-WOJBJXKFSA-N 0 0 462.949 4.996 20 0 JJADRN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001546126399 1067921543 /nfs/dbraw/zinc/92/15/43/1067921543.db2.gz WHQSCJJDHZQICE-UXHICEINSA-N 0 0 471.621 4.736 20 0 JJADRN C[C@H]1c2ccccc2OCCN1C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC001461705448 1067922417 /nfs/dbraw/zinc/92/24/17/1067922417.db2.gz MZELFORUKYRKSI-KRWDZBQOSA-N 0 0 453.585 4.837 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001461706500 1067922469 /nfs/dbraw/zinc/92/24/69/1067922469.db2.gz RRGPKSIRICWANN-QHCPKHFHSA-N 0 0 450.579 4.640 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2cccc(-c3cn(C)nn3)c2)cc1Br ZINC001461712007 1067923288 /nfs/dbraw/zinc/92/32/88/1067923288.db2.gz GSHVFWYVCXPNIW-UHFFFAOYSA-N 0 0 450.134 4.568 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1)Nc1ccccc1F ZINC001461713460 1067923296 /nfs/dbraw/zinc/92/32/96/1067923296.db2.gz JILOIBCPVSFMSH-NRFANRHFSA-N 0 0 456.420 4.882 20 0 JJADRN O=C(c1c(F)c(Br)ccc1I)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001461716768 1067924090 /nfs/dbraw/zinc/92/40/90/1067924090.db2.gz OZRUWMHHIBPJMJ-GWCFXTLKSA-N 0 0 466.132 4.988 20 0 JJADRN COc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC001461718039 1067924386 /nfs/dbraw/zinc/92/43/86/1067924386.db2.gz OZRFXXADMGWINW-OAHLLOKOSA-N 0 0 459.276 4.847 20 0 JJADRN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC001461719349 1067924770 /nfs/dbraw/zinc/92/47/70/1067924770.db2.gz JSXRLQFBSZFZGW-KRWDZBQOSA-N 0 0 453.926 4.961 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)cs1 ZINC001461720166 1067924864 /nfs/dbraw/zinc/92/48/64/1067924864.db2.gz SKPUYAHDQMSEIZ-UHFFFAOYSA-N 0 0 451.854 4.972 20 0 JJADRN CC(=O)[C@@H]1CC(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)=NN1c1ccccc1 ZINC001461720655 1067925171 /nfs/dbraw/zinc/92/51/71/1067925171.db2.gz SXFIMUKPCGKZLL-UNMCSNQZSA-N 0 0 454.368 4.557 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)ccc1F ZINC001461722039 1067925560 /nfs/dbraw/zinc/92/55/60/1067925560.db2.gz XPGRWHSKSXSTSO-HRAATJIYSA-N 0 0 459.359 4.833 20 0 JJADRN CNC(=O)N(C)c1ccc(NCc2cc(Br)c([C@@H](C)OCOC)cc2F)cc1 ZINC001461723582 1067925923 /nfs/dbraw/zinc/92/59/23/1067925923.db2.gz YZIYMGQZVZWGIT-CYBMUJFWSA-N 0 0 454.340 4.657 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)cc1 ZINC001461723458 1067925937 /nfs/dbraw/zinc/92/59/37/1067925937.db2.gz WFHMLSATMCLAJE-UHFFFAOYSA-N 0 0 450.866 4.520 20 0 JJADRN Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)nnn1-c1cccc(Cl)c1 ZINC001461724591 1067926327 /nfs/dbraw/zinc/92/63/27/1067926327.db2.gz XNPUZYUOXVJOGQ-AWEZNQCLSA-N 0 0 459.333 4.744 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC001461724610 1067926348 /nfs/dbraw/zinc/92/63/48/1067926348.db2.gz XTPZAPOSHWNFQM-INIZCTEOSA-N 0 0 453.926 4.786 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001461738357 1067928105 /nfs/dbraw/zinc/92/81/05/1067928105.db2.gz FCYMMQBSLJRZJL-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN Cc1cc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)nn1-c1ccc(Br)cc1 ZINC001461738834 1067928166 /nfs/dbraw/zinc/92/81/66/1067928166.db2.gz MGPUGVSQZALFMV-HJWRWDBZSA-N 0 0 456.325 4.810 20 0 JJADRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(I)c(Cl)c1 ZINC001461742941 1067929253 /nfs/dbraw/zinc/92/92/53/1067929253.db2.gz YIGNCVADVKPBHK-XQRVVYSFSA-N 0 0 457.680 4.812 20 0 JJADRN Cc1c(Br)cc(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)c(=O)n1C ZINC001461746019 1067929440 /nfs/dbraw/zinc/92/94/40/1067929440.db2.gz KGXYPHOKROQYDJ-DEOSSOPVSA-N 0 0 453.380 4.847 20 0 JJADRN CCCCN(C)S(=O)(=O)c1ccc(NCc2cc(OC)c(Br)cc2F)cc1 ZINC001461746332 1067929452 /nfs/dbraw/zinc/92/94/52/1067929452.db2.gz PINJIQGJBXYVKM-UHFFFAOYSA-N 0 0 459.381 4.630 20 0 JJADRN CC[C@@H](C)[C@H](OC)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 ZINC001461749254 1067930261 /nfs/dbraw/zinc/93/02/61/1067930261.db2.gz USELSSWXQHVJFR-YKSBVNFPSA-N 0 0 450.579 4.765 20 0 JJADRN Cc1ccc(SCc2cccc(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)c2)c(C)c1 ZINC001461753521 1067930593 /nfs/dbraw/zinc/93/05/93/1067930593.db2.gz YKCURAYHDYJDBS-QHCPKHFHSA-N 0 0 451.613 4.995 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC001461752030 1067930676 /nfs/dbraw/zinc/93/06/76/1067930676.db2.gz FAKUAMUVWPWITI-GOSISDBHSA-N 0 0 459.413 4.568 20 0 JJADRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)Nc1cc2ccc(Br)cc2nc1Cl ZINC001461758760 1067931856 /nfs/dbraw/zinc/93/18/56/1067931856.db2.gz NMJDMCKKABHTRN-QHHAFSJGSA-N 0 0 458.699 4.634 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1 ZINC001546126912 1067932275 /nfs/dbraw/zinc/93/22/75/1067932275.db2.gz HYGXVIAZYILJGR-DEOSSOPVSA-N 0 0 457.574 4.645 20 0 JJADRN Cc1cc(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)ccc1NC(=O)OC(C)(C)C ZINC001461767309 1067933055 /nfs/dbraw/zinc/93/30/55/1067933055.db2.gz CYDOHMANQMJWBC-HXUWFJFHSA-N 0 0 450.543 4.831 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)CC(F)(F)F ZINC001461768024 1067933063 /nfs/dbraw/zinc/93/30/63/1067933063.db2.gz VWQPUAVLQGEQKB-HOTGVXAUSA-N 0 0 450.473 4.644 20 0 JJADRN O=C(CCc1ccccc1C(F)(F)F)Nc1nc2cc(I)ccc2[nH]1 ZINC001461768026 1067933371 /nfs/dbraw/zinc/93/33/71/1067933371.db2.gz AKGBHHREAHQKPH-UHFFFAOYSA-N 0 0 459.209 4.758 20 0 JJADRN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001461771554 1067933869 /nfs/dbraw/zinc/93/38/69/1067933869.db2.gz MNKSEBWCHPNQDR-UHFFFAOYSA-N 0 0 451.361 4.934 20 0 JJADRN COc1cc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c(Cl)cc1Br ZINC001461773684 1067934496 /nfs/dbraw/zinc/93/44/96/1067934496.db2.gz PKTRLYWXQNSEEU-UHFFFAOYSA-N 0 0 457.796 4.915 20 0 JJADRN CCc1cc(C(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc(Cl)n1 ZINC001461777758 1067935362 /nfs/dbraw/zinc/93/53/62/1067935362.db2.gz KKMFTTVMGCPJLV-UHFFFAOYSA-N 0 0 454.954 4.866 20 0 JJADRN CCOc1ccccc1OCCCC(=O)N(C)[C@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC001461780907 1067936021 /nfs/dbraw/zinc/93/60/21/1067936021.db2.gz TZGFSFMOLSSOMD-NRFANRHFSA-N 0 0 454.350 4.924 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)c1cnn(-c3ccccn3)c1C(F)(F)F)C2 ZINC001461780494 1067936131 /nfs/dbraw/zinc/93/61/31/1067936131.db2.gz WOXSPWPGMKYCNN-UHFFFAOYSA-N 0 0 451.246 4.513 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NCc1nc2cc(Br)ccc2o1 ZINC001461783089 1067936543 /nfs/dbraw/zinc/93/65/43/1067936543.db2.gz HCQXBHAAPKLWEC-YLJYHZDGSA-N 0 0 458.356 4.871 20 0 JJADRN O=C(NCCc1ccc(I)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC001461784082 1067936838 /nfs/dbraw/zinc/93/68/38/1067936838.db2.gz DDNYPXOZRLDDMQ-UHFFFAOYSA-N 0 0 451.323 4.991 20 0 JJADRN O=C(NCCc1ccc(I)cc1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001461790320 1067937579 /nfs/dbraw/zinc/93/75/79/1067937579.db2.gz WHNWRGYABPHWRH-HNNXBMFYSA-N 0 0 451.201 4.680 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)cc1OC ZINC001461794557 1067938244 /nfs/dbraw/zinc/93/82/44/1067938244.db2.gz IEQYXPMVLSRCLI-UHFFFAOYSA-N 0 0 451.951 4.663 20 0 JJADRN CCCc1nc(C(=O)Oc2cc(Br)ccc2OC)nn1-c1ccccc1Cl ZINC001461797771 1067938645 /nfs/dbraw/zinc/93/86/45/1067938645.db2.gz VUJOHHRSHBWTGI-UHFFFAOYSA-N 0 0 450.720 4.864 20 0 JJADRN O=C(Oc1cccc(C(=O)N2CCOCC2)c1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC001461796327 1067938676 /nfs/dbraw/zinc/93/86/76/1067938676.db2.gz XEWQJXXKTMGGIJ-HSZRJFAPSA-N 0 0 451.906 4.538 20 0 JJADRN NC(=O)c1cccc2c1CCN(C(=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1)C2 ZINC001461795592 1067938715 /nfs/dbraw/zinc/93/87/15/1067938715.db2.gz HTINZHDCZPXEML-JOCHJYFZSA-N 0 0 455.341 4.797 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc2)c1 ZINC001461805137 1067939818 /nfs/dbraw/zinc/93/98/18/1067939818.db2.gz OBWXWNMQSGKDKS-SFHVURJKSA-N 0 0 453.461 4.710 20 0 JJADRN COc1nc(C)cc(C)c1CN(C)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001461806299 1067940160 /nfs/dbraw/zinc/94/01/60/1067940160.db2.gz OJUGXEKCDFYZTR-UHFFFAOYSA-N 0 0 456.340 4.929 20 0 JJADRN O=C(NCCC1SCCS1)c1cc2cc(Br)cc(Br)c2o1 ZINC001461807053 1067940204 /nfs/dbraw/zinc/94/02/04/1067940204.db2.gz QQYOLVSPQUKDPU-UHFFFAOYSA-N 0 0 451.205 4.884 20 0 JJADRN OC[C@H](NCc1cccc(OCc2ccccc2)c1)c1ccccc1I ZINC001461812284 1067940825 /nfs/dbraw/zinc/94/08/25/1067940825.db2.gz QMTMDMXMGZNJGP-QFIPXVFZSA-N 0 0 459.327 4.693 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]3(c4ccccc4)CC3(C)C)CC2)cc1 ZINC001461819952 1067941660 /nfs/dbraw/zinc/94/16/60/1067941660.db2.gz GSSSWWCVFBLTEG-AREMUKBSSA-N 0 0 454.636 4.652 20 0 JJADRN COc1ccc(C2(NC(=O)c3sc(-c4ccc(OC)cc4F)nc3C)CCOCC2)cc1 ZINC001461824097 1067942049 /nfs/dbraw/zinc/94/20/49/1067942049.db2.gz VFQBDPHJUBSOMZ-UHFFFAOYSA-N 0 0 456.539 4.711 20 0 JJADRN CCCCc1ccc(N2C[C@H](C(=O)O[C@@H](c3cccc(OC)n3)C(F)(F)F)CC2=O)cc1 ZINC001461824627 1067942362 /nfs/dbraw/zinc/94/23/62/1067942362.db2.gz ABPDKHMWJPQTKA-IERDGZPVSA-N 0 0 450.457 4.633 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc(N3CCC(C)CC3)cc2)sc1Br ZINC001461826523 1067942783 /nfs/dbraw/zinc/94/27/83/1067942783.db2.gz JLMVNPJVQWVWQY-UHFFFAOYSA-N 0 0 452.374 4.571 20 0 JJADRN COc1cccc([C@@H](OC(=O)c2cc(Cl)c(Br)cc2OC)C(F)(F)F)n1 ZINC001461831116 1067943226 /nfs/dbraw/zinc/94/32/26/1067943226.db2.gz NDERQRMXBHNNFA-CQSZACIVSA-N 0 0 454.626 4.975 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)N(CC)CCOc3ccccc3OC)CC2(Cl)Cl)cc1 ZINC001461836498 1067944455 /nfs/dbraw/zinc/94/44/55/1067944455.db2.gz IUMHIIOZSDRGLF-JOCHJYFZSA-N 0 0 452.378 4.837 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCCC1 ZINC001546127681 1067944521 /nfs/dbraw/zinc/94/45/21/1067944521.db2.gz AIPNANXWDLIWML-DLBZAZTESA-N 0 0 497.503 4.936 20 0 JJADRN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CCCC1 ZINC001546127684 1067944639 /nfs/dbraw/zinc/94/46/39/1067944639.db2.gz AIPNANXWDLIWML-SJORKVTESA-N 0 0 497.503 4.936 20 0 JJADRN CCOc1ccc([C@]2(C(=O)N(CC)CCOc3ccccc3OC)CC2(Cl)Cl)cc1 ZINC001461836502 1067944646 /nfs/dbraw/zinc/94/46/46/1067944646.db2.gz IUMHIIOZSDRGLF-QFIPXVFZSA-N 0 0 452.378 4.837 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1Br)C2 ZINC001461841834 1067945058 /nfs/dbraw/zinc/94/50/58/1067945058.db2.gz OGHWLFAOICSTLB-JLTOFOAXSA-N 0 0 457.796 4.551 20 0 JJADRN Cc1cc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)on1 ZINC001461843682 1067945278 /nfs/dbraw/zinc/94/52/78/1067945278.db2.gz PPJTXGXUOADJCY-XDHUDOTRSA-N 0 0 457.596 4.795 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1Br)C2 ZINC001461841856 1067945375 /nfs/dbraw/zinc/94/53/75/1067945375.db2.gz OGHWLFAOICSTLB-VLIAUNLRSA-N 0 0 457.796 4.551 20 0 JJADRN O=C(NCc1cc(F)ccc1OC(F)F)c1ccc(Br)cc1Br ZINC001461844473 1067945404 /nfs/dbraw/zinc/94/54/04/1067945404.db2.gz OOIZVVIUIJPWNX-UHFFFAOYSA-N 0 0 453.052 4.882 20 0 JJADRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C2 ZINC001461848291 1067946335 /nfs/dbraw/zinc/94/63/35/1067946335.db2.gz WNICGMQTYFOTOD-ZHRRBRCNSA-N 0 0 456.505 4.769 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CN3CC[C@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853621 1067947499 /nfs/dbraw/zinc/94/74/99/1067947499.db2.gz QSQQNOGRFBTFKC-NRFANRHFSA-N 0 0 451.592 4.875 20 0 JJADRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001461854532 1067947685 /nfs/dbraw/zinc/94/76/85/1067947685.db2.gz SAVUGVKXRWWGFJ-UKRRQHHQSA-N 0 0 450.402 4.796 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)c1C ZINC001461858133 1067948856 /nfs/dbraw/zinc/94/88/56/1067948856.db2.gz OKEQJSHIFQXPQU-UHFFFAOYSA-N 0 0 458.521 4.585 20 0 JJADRN C[C@@H]1C[C@H](OC(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001461859305 1067948899 /nfs/dbraw/zinc/94/88/99/1067948899.db2.gz RFLWHAOVNGLDFA-DJABAAGCSA-N 0 0 471.457 4.801 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccc4c(c3)C[C@H](C)O4)c2)cc1 ZINC001461862099 1067949328 /nfs/dbraw/zinc/94/93/28/1067949328.db2.gz QWQMCIBMPHJRDG-SFHVURJKSA-N 0 0 451.544 4.501 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1ccccc1 ZINC001461862285 1067949778 /nfs/dbraw/zinc/94/97/78/1067949778.db2.gz ANXLOIWNQIRMGJ-SSYAZSBWSA-N 0 0 456.380 4.708 20 0 JJADRN O=C(Nc1cccc(-c2nnsc2Cl)c1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461863651 1067949791 /nfs/dbraw/zinc/94/97/91/1067949791.db2.gz GOIQNDYLPLQRKU-UHFFFAOYSA-N 0 0 456.955 4.846 20 0 JJADRN COc1ccc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c(OCc2cccnc2)c1 ZINC001461866425 1067950365 /nfs/dbraw/zinc/95/03/65/1067950365.db2.gz MTXLHJHFUXNOPT-UHFFFAOYSA-N 0 0 458.461 4.631 20 0 JJADRN C[C@@H]1CN(c2ccccc2CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867490 1067950589 /nfs/dbraw/zinc/95/05/89/1067950589.db2.gz IRAMPURGFZUBNF-OAHLLOKOSA-N 0 0 455.908 4.654 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(C)cccc3C(=O)OC(C)(C)C)no2)c1 ZINC001461875239 1067952561 /nfs/dbraw/zinc/95/25/61/1067952561.db2.gz STLGNJXKTOUGAC-UHFFFAOYSA-N 0 0 450.491 4.972 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3[C@@H](C)[C@@H](C)CC[C@H]3CNC(=O)OC(C)(C)C)c2)n1 ZINC001461877452 1067953006 /nfs/dbraw/zinc/95/30/06/1067953006.db2.gz MJLBAAYEBURRST-NYDSKATKSA-N 0 0 454.615 4.702 20 0 JJADRN COc1ccc(Br)c(C(=O)N2[C@@H](C)[C@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001461878292 1067953018 /nfs/dbraw/zinc/95/30/18/1067953018.db2.gz QXRDJADASBXZDQ-ILXRZTDVSA-N 0 0 455.393 4.612 20 0 JJADRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccc(OC)c(O)c3Br)n2)c1 ZINC001461883128 1067954082 /nfs/dbraw/zinc/95/40/82/1067954082.db2.gz SPJZDBKSDIVQIU-SFHVURJKSA-N 0 0 458.356 4.899 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(OCc4ccccc4)cc3)CCC(=O)N2C)cc1 ZINC001461884792 1067954605 /nfs/dbraw/zinc/95/46/05/1067954605.db2.gz SJJNAQJUTSCHTK-AHKZPQOWSA-N 0 0 458.558 4.500 20 0 JJADRN CN(C)C(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c(F)c1 ZINC001461890577 1067955357 /nfs/dbraw/zinc/95/53/57/1067955357.db2.gz SMZZGXLGORESRH-UHFFFAOYSA-N 0 0 458.287 4.730 20 0 JJADRN O=C(Nc1cnc(Oc2ccccc2)nc1)c1cnn(Cc2ccccc2)c1Br ZINC001461890111 1067955376 /nfs/dbraw/zinc/95/53/76/1067955376.db2.gz OOJDVSFXBIXBST-UHFFFAOYSA-N 0 0 450.296 4.529 20 0 JJADRN CCC1(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001546127879 1067955382 /nfs/dbraw/zinc/95/53/82/1067955382.db2.gz HRTURDJARMJGHD-CQSZACIVSA-N 0 0 467.060 4.873 20 0 JJADRN COC(=O)c1ccc(CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Br)c1 ZINC001461890017 1067955393 /nfs/dbraw/zinc/95/53/93/1067955393.db2.gz UGEZLJYULZKZRA-GOSISDBHSA-N 0 0 457.409 4.607 20 0 JJADRN CCOC(=O)[C@]1(CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCCOC1 ZINC001461893833 1067956200 /nfs/dbraw/zinc/95/62/00/1067956200.db2.gz AYECKVCPMALJNQ-SFHVURJKSA-N 0 0 450.771 4.951 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001461894232 1067956283 /nfs/dbraw/zinc/95/62/83/1067956283.db2.gz AZCABCMVUFUCMZ-NRFANRHFSA-N 0 0 450.894 4.646 20 0 JJADRN CCC1(Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)CCCC(=O)NC)CCC1 ZINC001546127921 1067956636 /nfs/dbraw/zinc/95/66/36/1067956636.db2.gz JBPVFSQAFXMSIY-UHFFFAOYSA-N 0 0 466.655 4.920 20 0 JJADRN Fc1nccc(Cl)c1CN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001461896171 1067956693 /nfs/dbraw/zinc/95/66/93/1067956693.db2.gz GXCYJWPIBLTGQT-UHFFFAOYSA-N 0 0 452.677 4.978 20 0 JJADRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001461898460 1067956988 /nfs/dbraw/zinc/95/69/88/1067956988.db2.gz GJJPKGHMQUULPT-FIKGOQFSSA-N 0 0 455.860 4.633 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461899032 1067957634 /nfs/dbraw/zinc/95/76/34/1067957634.db2.gz DAPAKMJTGBXXCX-MQYXYMALSA-N 0 0 450.982 4.631 20 0 JJADRN O=C(c1c(F)cccc1Cl)N1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC001461899554 1067957648 /nfs/dbraw/zinc/95/76/48/1067957648.db2.gz QNZJYPGRONADIC-UHFFFAOYSA-N 0 0 451.901 4.839 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902891 1067958508 /nfs/dbraw/zinc/95/85/08/1067958508.db2.gz XZJCCMCLTCAVRS-JLTOFOAXSA-N 0 0 451.350 4.537 20 0 JJADRN O=C(Nc1cc(Br)cc(I)c1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001461907261 1067959204 /nfs/dbraw/zinc/95/92/04/1067959204.db2.gz YECCJNMOYAHENZ-ARFHVFGLSA-N 0 0 454.105 4.578 20 0 JJADRN COC(=O)c1coc(CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c32)c1 ZINC001461908470 1067959643 /nfs/dbraw/zinc/95/96/43/1067959643.db2.gz HBKPCCNZYGOADK-UHFFFAOYSA-N 0 0 459.380 4.527 20 0 JJADRN FC(F)(F)c1cc(Br)ccc1N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC001461910517 1067959646 /nfs/dbraw/zinc/95/96/46/1067959646.db2.gz NPKQJOQOFFDPDK-UHFFFAOYSA-N 0 0 455.278 4.773 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nc2ccccc2n1-c1ccn(C)n1 ZINC001461911549 1067960245 /nfs/dbraw/zinc/96/02/45/1067960245.db2.gz ZMWAGHQSUZXFBR-ZDUSSCGKSA-N 0 0 456.369 4.641 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC001461915914 1067960731 /nfs/dbraw/zinc/96/07/31/1067960731.db2.gz VHYPLTPMKFUCEZ-TWGQIWQCSA-N 0 0 451.412 4.774 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)cc1 ZINC001461918728 1067961010 /nfs/dbraw/zinc/96/10/10/1067961010.db2.gz DUIRFAQVKYHACJ-UHFFFAOYSA-N 0 0 453.474 4.772 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nc(COc3ccccc3)cs2)CC[C@H]1c1ccc(C)o1 ZINC001461922328 1067961822 /nfs/dbraw/zinc/96/18/22/1067961822.db2.gz TUAVVXPHIRYQKJ-RBUKOAKNSA-N 0 0 455.536 4.924 20 0 JJADRN Cn1cc(Br)c(C(=O)N(Cc2cccs2)Cc2ccc3[nH]ccc3c2)cc1=O ZINC001461931054 1067963313 /nfs/dbraw/zinc/96/33/13/1067963313.db2.gz GDBOZGANCIVBPY-UHFFFAOYSA-N 0 0 456.365 4.533 20 0 JJADRN Cc1cccc(C[C@]2(C)CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC001461935998 1067964099 /nfs/dbraw/zinc/96/40/99/1067964099.db2.gz MWGZEAHLTZHRCY-SANMLTNESA-N 0 0 454.636 4.797 20 0 JJADRN CCc1c(C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cnn1-c1ccccc1OC ZINC001461937432 1067964539 /nfs/dbraw/zinc/96/45/39/1067964539.db2.gz JCPLZALOEXXNNB-MRXNPFEDSA-N 0 0 454.958 4.574 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c1 ZINC001461938843 1067964850 /nfs/dbraw/zinc/96/48/50/1067964850.db2.gz RANSCMNIBWODRG-QFQXNSOFSA-N 0 0 454.636 4.796 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(CN2CCO[C@H](c3ccccc3Br)C2)[nH]1 ZINC001461939471 1067964888 /nfs/dbraw/zinc/96/48/88/1067964888.db2.gz QMBJYGMFTPAQDG-QFIPXVFZSA-N 0 0 455.352 4.708 20 0 JJADRN Cc1cc(OCC(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)ccc1Br ZINC001461945400 1067965955 /nfs/dbraw/zinc/96/59/55/1067965955.db2.gz WFYYPPGEQDSTJL-CQSZACIVSA-N 0 0 453.764 4.654 20 0 JJADRN COCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1OC ZINC001461943496 1067965959 /nfs/dbraw/zinc/96/59/59/1067965959.db2.gz MNRBDGCQASTEGF-UHFFFAOYSA-N 0 0 456.568 4.929 20 0 JJADRN COc1cccc(-c2csc(CN3CCN(Cc4ccc(Br)cc4)CC3)n2)c1 ZINC001461946464 1067966406 /nfs/dbraw/zinc/96/64/06/1067966406.db2.gz SXAIKAHOXZMMJF-UHFFFAOYSA-N 0 0 458.425 4.899 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC001461950754 1067967554 /nfs/dbraw/zinc/96/75/54/1067967554.db2.gz HCJXKGZRUVFVHN-UHFFFAOYSA-N 0 0 455.352 4.847 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(I)c(Br)c1 ZINC001461954624 1067968336 /nfs/dbraw/zinc/96/83/36/1067968336.db2.gz KWIPNZTVAQIGSI-XHDPSFHLSA-N 0 0 478.074 4.618 20 0 JJADRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc12 ZINC001461959773 1067969264 /nfs/dbraw/zinc/96/92/64/1067969264.db2.gz CQTSWUVOBOTDHW-KDOFPFPSSA-N 0 0 458.559 4.662 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)CC1 ZINC001461958660 1067969305 /nfs/dbraw/zinc/96/93/05/1067969305.db2.gz ZZHFHIKPDDFRPX-UHFFFAOYSA-N 0 0 455.958 4.547 20 0 JJADRN CCOc1cc(CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc(Br)c1O ZINC001461962026 1067969770 /nfs/dbraw/zinc/96/97/70/1067969770.db2.gz OUMGLCKGYZIIJV-ZBFHGGJFSA-N 0 0 457.409 4.679 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)CCN1C(=O)OC(C)(C)C ZINC001461963624 1067969962 /nfs/dbraw/zinc/96/99/62/1067969962.db2.gz OLOMWNDYWVMFLW-OCCSQVGLSA-N 0 0 468.417 4.506 20 0 JJADRN CCc1nc([C@@H]2CCCCN2Cc2cc(Br)c([C@H](C)OCOC)cc2F)no1 ZINC001461967217 1067970971 /nfs/dbraw/zinc/97/09/71/1067970971.db2.gz AWNRJTBZRZKLNK-UGSOOPFHSA-N 0 0 456.356 4.942 20 0 JJADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Oc1cccc2sc(Br)cc21 ZINC001461975044 1067972982 /nfs/dbraw/zinc/97/29/82/1067972982.db2.gz JRBNJGXEGXMBEQ-UHFFFAOYSA-N 0 0 457.349 4.986 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCC(OCc2ccccc2)CC1 ZINC001461975582 1067973004 /nfs/dbraw/zinc/97/30/04/1067973004.db2.gz IDILGJIPKGQMGD-UHFFFAOYSA-N 0 0 457.210 4.609 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)c3cccc4c3CCCCC4)CC2)C1 ZINC001461978268 1067974064 /nfs/dbraw/zinc/97/40/64/1067974064.db2.gz APSBPIPUJMDGGY-QFIPXVFZSA-N 0 0 456.627 4.834 20 0 JJADRN CN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H](CCc1ccccc1)C(F)F ZINC001461983482 1067974771 /nfs/dbraw/zinc/97/47/71/1067974771.db2.gz ZWLCJVYDJFJMSF-MRXNPFEDSA-N 0 0 456.390 4.764 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C2CC2)cn1 ZINC001461984692 1067974859 /nfs/dbraw/zinc/97/48/59/1067974859.db2.gz YQFDMPAYKVLYCO-OAQYLSRUSA-N 0 0 454.324 4.921 20 0 JJADRN O=C(CC1CCN(Cc2cc(Br)ccc2Br)CC1)NC1CCCC1 ZINC001461986603 1067975575 /nfs/dbraw/zinc/97/55/75/1067975575.db2.gz MFMGLLHMCLGKGE-UHFFFAOYSA-N 0 0 458.238 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001461987464 1067976129 /nfs/dbraw/zinc/97/61/29/1067976129.db2.gz AGPQRVAGYYLDSS-CVEARBPZSA-N 0 0 452.386 4.548 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCCC12CC2)Nc1ccc(Br)cc1 ZINC001461994582 1067976629 /nfs/dbraw/zinc/97/66/29/1067976629.db2.gz FTJDKRYEFTXFIU-INIZCTEOSA-N 0 0 457.368 4.777 20 0 JJADRN O=C(NCc1ccnc(-c2ccccc2)c1)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001461999730 1067977560 /nfs/dbraw/zinc/97/75/60/1067977560.db2.gz QUDUMSDVTSVAFX-HSZRJFAPSA-N 0 0 450.380 4.964 20 0 JJADRN COc1cc(C(=O)Nc2cc(C3CCOCC3)nn2C)ccc1OCc1ccc(Cl)cc1 ZINC001462005445 1067978586 /nfs/dbraw/zinc/97/85/86/1067978586.db2.gz CQQDNDISDDQMPW-UHFFFAOYSA-N 0 0 455.942 4.807 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)cc1 ZINC001462005466 1067978617 /nfs/dbraw/zinc/97/86/17/1067978617.db2.gz CNXPLFFKJYPGAZ-KSIAZZLSSA-N 0 0 456.583 4.621 20 0 JJADRN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cc1 ZINC001462008402 1067979090 /nfs/dbraw/zinc/97/90/90/1067979090.db2.gz SKRGBUSSBFVQFL-ZCNNSNEGSA-N 0 0 478.467 4.539 20 0 JJADRN CCc1c(C(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)nnn1-c1ccc(OC(C)C)cc1 ZINC001462022377 1067982750 /nfs/dbraw/zinc/98/27/50/1067982750.db2.gz LOXIZBQNIXYOQO-HXUWFJFHSA-N 0 0 459.594 4.860 20 0 JJADRN C[C@@H](CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC001462021555 1067982789 /nfs/dbraw/zinc/98/27/89/1067982789.db2.gz YVFDZJKRTRBROK-HNNXBMFYSA-N 0 0 452.970 4.882 20 0 JJADRN CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001462024650 1067983675 /nfs/dbraw/zinc/98/36/75/1067983675.db2.gz RTHBKKXROKYMPY-INIZCTEOSA-N 0 0 452.605 4.629 20 0 JJADRN CCOC(=O)c1nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)sc1C ZINC001462027296 1067984166 /nfs/dbraw/zinc/98/41/66/1067984166.db2.gz WODLKQLBBWKBFZ-MRXNPFEDSA-N 0 0 453.605 4.678 20 0 JJADRN FC(F)(F)c1cccc(CN2CCN(Cc3c(Cl)cccc3N3CCOCC3)CC2)c1 ZINC001462030831 1067984576 /nfs/dbraw/zinc/98/45/76/1067984576.db2.gz KXPMKBYDYLGAEN-UHFFFAOYSA-N 0 0 453.936 4.513 20 0 JJADRN Fc1cccc(Br)c1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001462033262 1067984895 /nfs/dbraw/zinc/98/48/95/1067984895.db2.gz YSHOJXJRRSJZRR-UHFFFAOYSA-N 0 0 452.677 4.978 20 0 JJADRN C[C@@H]1CCC[C@@H]([N@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033324 1067984914 /nfs/dbraw/zinc/98/49/14/1067984914.db2.gz MEVCQDZGHRXABV-KGVIQGDOSA-N 0 0 455.599 4.931 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)n2)s1 ZINC001462037733 1067986169 /nfs/dbraw/zinc/98/61/69/1067986169.db2.gz ATJQRTNOUXDGTG-UHFFFAOYSA-N 0 0 453.568 4.769 20 0 JJADRN CN(Cc1ccc(Br)cc1SCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC001462037929 1067986600 /nfs/dbraw/zinc/98/66/00/1067986600.db2.gz AQULGQVHAVANAV-IBGZPJMESA-N 0 0 454.455 4.705 20 0 JJADRN Cc1cc(OCC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc(C)c1Cl ZINC001462041274 1067987345 /nfs/dbraw/zinc/98/73/45/1067987345.db2.gz YXHLVWLSLJKMQP-UHFFFAOYSA-N 0 0 458.986 4.945 20 0 JJADRN CCc1nc(C(=O)Nc2ccn(C3CCSCC3)n2)nn1-c1c(Cl)cccc1Cl ZINC001462043914 1067988302 /nfs/dbraw/zinc/98/83/02/1067988302.db2.gz YMNLTIFKLZVSFK-UHFFFAOYSA-N 0 0 451.383 4.653 20 0 JJADRN CCCc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001462043806 1067988346 /nfs/dbraw/zinc/98/83/46/1067988346.db2.gz KFIQTKPZCUUUCO-GWWHBBDRSA-N 0 0 452.599 4.731 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CCO)Cc1cc(F)ccc1Oc1ccc(F)cc1Cl ZINC001462052022 1067991190 /nfs/dbraw/zinc/99/11/90/1067991190.db2.gz OBHBBUGNZIHWJO-UHFFFAOYSA-N 0 0 456.917 4.730 20 0 JJADRN CCc1ccc2occ(C(=O)Nc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccn3)c2c1 ZINC001462051332 1067991215 /nfs/dbraw/zinc/99/12/15/1067991215.db2.gz PDYAUZKWWVWGQR-UHFFFAOYSA-N 0 0 450.539 4.700 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001462051983 1067991239 /nfs/dbraw/zinc/99/12/39/1067991239.db2.gz NYEQALUSAIAZOI-GOSISDBHSA-N 0 0 456.583 4.801 20 0 JJADRN COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC001462051989 1067991419 /nfs/dbraw/zinc/99/14/19/1067991419.db2.gz NYEQALUSAIAZOI-SFHVURJKSA-N 0 0 456.583 4.801 20 0 JJADRN O=C(CCSCc1ccccc1)Nc1nn(-c2ncccc2Cl)cc1Br ZINC001462060027 1067993391 /nfs/dbraw/zinc/99/33/91/1067993391.db2.gz KEQBAEMEDUREPP-UHFFFAOYSA-N 0 0 451.777 4.945 20 0 JJADRN CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)COc1cccc(I)c1 ZINC001462063992 1067993815 /nfs/dbraw/zinc/99/38/15/1067993815.db2.gz JLLXLIZSQQMLQC-GOSISDBHSA-N 0 0 453.295 4.604 20 0 JJADRN CCO[C@@H]1C[C@H](NCc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@]12CCCO2 ZINC001462061534 1067993925 /nfs/dbraw/zinc/99/39/25/1067993925.db2.gz GWPAUJBVONKLKA-WAOWUJCRSA-N 0 0 459.375 4.534 20 0 JJADRN CCCOc1ccc(CC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1OCCC ZINC001462064183 1067994477 /nfs/dbraw/zinc/99/44/77/1067994477.db2.gz JKVZDMUXUKPXHS-UHFFFAOYSA-N 0 0 453.433 4.951 20 0 JJADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3nn(-c4ccccc4)cc3Br)C2)cc1 ZINC001546129188 1067994674 /nfs/dbraw/zinc/99/46/74/1067994674.db2.gz XEFABAFRAUXAOA-FQEVSTJZSA-N 0 0 453.384 4.684 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066805 1067995052 /nfs/dbraw/zinc/99/50/52/1067995052.db2.gz BHCVORJDQZDEJL-GJZUVCINSA-N 0 0 454.615 4.510 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)C1 ZINC001462073448 1067997005 /nfs/dbraw/zinc/99/70/05/1067997005.db2.gz SJPOUBDPEWBXNR-RDJZCZTQSA-N 0 0 456.637 4.879 20 0 JJADRN CC(=O)N1CC[C@H](OC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c2ccccc21 ZINC001462089450 1067999580 /nfs/dbraw/zinc/99/95/80/1067999580.db2.gz INJZEPCCGGUCGQ-IBGZPJMESA-N 0 0 456.424 4.894 20 0 JJADRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N=[S@](C)(=O)c3ccc(N(C)C)cc3)c12 ZINC001462092571 1068000412 /nfs/dbraw/zinc/00/04/12/1068000412.db2.gz CWQAPOPYJUUNJJ-JGCGQSQUSA-N 0 0 453.612 4.735 20 0 JJADRN CCCc1nc(C(=O)N2CCCc3c(C)ccc(C(=O)OC)c32)nn1-c1ccccc1Cl ZINC001462093480 1068001004 /nfs/dbraw/zinc/00/10/04/1068001004.db2.gz QVROTYWPGHWLEY-UHFFFAOYSA-N 0 0 452.942 4.561 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N=[S@](C)(=O)c3ccc(N(C)C)cc3)c12 ZINC001462094959 1068001120 /nfs/dbraw/zinc/00/11/20/1068001120.db2.gz IGQKOIZYZPADPU-JGCGQSQUSA-N 0 0 452.511 4.700 20 0 JJADRN CCn1c(Br)c(Br)nc1CN1CCC(c2cccc(OC)c2)CC1 ZINC001462095603 1068001129 /nfs/dbraw/zinc/00/11/29/1068001129.db2.gz SPOGZJLLSRQVJD-UHFFFAOYSA-N 0 0 457.210 4.816 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3(C)C)cc2)C1 ZINC001462099783 1068002221 /nfs/dbraw/zinc/00/22/21/1068002221.db2.gz XVHVVZVEHIFMJO-JPYJTQIMSA-N 0 0 458.599 4.655 20 0 JJADRN CN(Cc1c[nH]nc1-c1ccsc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462101468 1068002339 /nfs/dbraw/zinc/00/23/39/1068002339.db2.gz CZVPGKBIXHQPGJ-UHFFFAOYSA-N 0 0 450.402 4.682 20 0 JJADRN CC(C)Oc1cc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)ccc1Br ZINC001462102229 1068003008 /nfs/dbraw/zinc/00/30/08/1068003008.db2.gz BRGZRQSVJQQZLX-UHFFFAOYSA-N 0 0 453.699 4.862 20 0 JJADRN CCc1[nH]c(CN2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1C(=O)OC ZINC001462102910 1068003130 /nfs/dbraw/zinc/00/31/30/1068003130.db2.gz IMLXMBVJRMFFOO-SFHVURJKSA-N 0 0 459.344 4.513 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3C)CC2=O)cc1F ZINC001462104392 1068003873 /nfs/dbraw/zinc/00/38/73/1068003873.db2.gz NRVDQQYLKBXKLK-KKSFZXQISA-N 0 0 459.359 4.922 20 0 JJADRN CN(Cc1cnc([C@@H]2CCCO2)s1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462104501 1068003902 /nfs/dbraw/zinc/00/39/02/1068003902.db2.gz NPGSSMAKVFXSCI-KRWDZBQOSA-N 0 0 455.418 4.539 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N=S1(=O)CCCC1 ZINC001462105588 1068004290 /nfs/dbraw/zinc/00/42/90/1068004290.db2.gz ZRJXDOMIWYWSGV-UHFFFAOYSA-N 0 0 458.381 4.633 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)N3C[C@@H](c4ccc(Br)cc4)C[C@@H]3C)c(C)c12 ZINC001462106853 1068004617 /nfs/dbraw/zinc/00/46/17/1068004617.db2.gz ZCANQHBZFNWZPY-UGSOOPFHSA-N 0 0 455.400 4.603 20 0 JJADRN CC(C)Oc1cc(NC(=O)CSCC(=O)N(C)C2CCCCC2)ccc1Br ZINC001462106734 1068004860 /nfs/dbraw/zinc/00/48/60/1068004860.db2.gz VNSBQEYZTIXQBD-UHFFFAOYSA-N 0 0 457.434 4.699 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC001546129464 1068005099 /nfs/dbraw/zinc/00/50/99/1068005099.db2.gz HMSPQVCTYAHMDT-MRXNPFEDSA-N 0 0 490.368 4.784 20 0 JJADRN COC(=O)c1ccc(-c2ccc(CN[C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)o2)cc1 ZINC001462110563 1068006273 /nfs/dbraw/zinc/00/62/73/1068006273.db2.gz HYNFIJFZMLBWBW-IBGZPJMESA-N 0 0 458.436 4.647 20 0 JJADRN Cn1ncc(Br)c1CNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001462113049 1068006806 /nfs/dbraw/zinc/00/68/06/1068006806.db2.gz BNECUSWAFAKQDQ-UHFFFAOYSA-N 0 0 456.237 4.938 20 0 JJADRN Cc1c(F)cccc1N(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCO[C@@H]1C ZINC001462120774 1068008571 /nfs/dbraw/zinc/00/85/71/1068008571.db2.gz SYORMVPBMGSERN-VFNWGFHPSA-N 0 0 458.331 4.907 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CCCC1 ZINC001546129544 1068009449 /nfs/dbraw/zinc/00/94/49/1068009449.db2.gz KDAOPOYOENIEKR-UHFFFAOYSA-N 0 0 485.430 4.741 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21 ZINC001462129139 1068011541 /nfs/dbraw/zinc/01/15/41/1068011541.db2.gz RDPYLKDHJNNYBU-MQSCRBSSSA-N 0 0 457.615 4.592 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001462129325 1068011554 /nfs/dbraw/zinc/01/15/54/1068011554.db2.gz LWILULJYGIPYCH-QAPCUYQASA-N 0 0 459.589 4.875 20 0 JJADRN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001462129327 1068011615 /nfs/dbraw/zinc/01/16/15/1068011615.db2.gz LWILULJYGIPYCH-YJBOKZPZSA-N 0 0 459.589 4.875 20 0 JJADRN COCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21 ZINC001462129149 1068011717 /nfs/dbraw/zinc/01/17/17/1068011717.db2.gz RDPYLKDHJNNYBU-XPNTWCBSSA-N 0 0 457.615 4.592 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c2ccccc12 ZINC001462132940 1068012511 /nfs/dbraw/zinc/01/25/11/1068012511.db2.gz ZBFQCYMVORNUDG-HTAPYJJXSA-N 0 0 454.885 4.577 20 0 JJADRN C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)[C@]12C[C@H]1CCCC2 ZINC001462134778 1068013022 /nfs/dbraw/zinc/01/30/22/1068013022.db2.gz DGSOTOWDJXWXCI-IUUKEHGRSA-N 0 0 457.294 4.747 20 0 JJADRN O=C(Nc1nc2c(s1)c(Cl)ccc2F)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001462137546 1068013405 /nfs/dbraw/zinc/01/34/05/1068013405.db2.gz PJDBFEWRMTWCMH-ZDUSSCGKSA-N 0 0 456.351 4.896 20 0 JJADRN Cc1cc(Br)c2c(c1)CCN(C(=O)Cc1c(F)ccc(Br)c1F)C2 ZINC001462137118 1068013470 /nfs/dbraw/zinc/01/34/70/1068013470.db2.gz IRJMIRDVAMRENH-UHFFFAOYSA-N 0 0 459.128 4.926 20 0 JJADRN O=C(OCc1cnc(C2CC2)o1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC001462141630 1068013670 /nfs/dbraw/zinc/01/36/70/1068013670.db2.gz WIYJUWYXQLEYED-UHFFFAOYSA-N 0 0 450.875 4.502 20 0 JJADRN COCc1ncc2c(n1)CCN(C(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)C2 ZINC001462140727 1068013729 /nfs/dbraw/zinc/01/37/29/1068013729.db2.gz UFLRCYHRBGZJBC-QFIPXVFZSA-N 0 0 458.345 4.635 20 0 JJADRN Cc1nc(COc2cccc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)c2)no1 ZINC001462143630 1068014253 /nfs/dbraw/zinc/01/42/53/1068014253.db2.gz DGQBDDBCTXKMLA-LEWJYISDSA-N 0 0 464.522 4.590 20 0 JJADRN CN(CCCC(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1)C(=O)c1ccncc1 ZINC001462146436 1068014982 /nfs/dbraw/zinc/01/49/82/1068014982.db2.gz NWRLIKWYFJQSCP-JKSUJKDBSA-N 0 0 454.518 4.865 20 0 JJADRN CO[C@@H]1CC[C@H](C)N(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001462146144 1068015045 /nfs/dbraw/zinc/01/50/45/1068015045.db2.gz OKQQZSYLTLPTDH-XJKSGUPXSA-N 0 0 450.486 4.654 20 0 JJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462147927 1068015255 /nfs/dbraw/zinc/01/52/55/1068015255.db2.gz RCJBOKPEVRPTBB-RYGJVYDSSA-N 0 0 470.591 4.973 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC001462147892 1068015375 /nfs/dbraw/zinc/01/53/75/1068015375.db2.gz QOZHTUIQRDDAHP-MTCCJSQRSA-N 0 0 457.621 4.614 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462149145 1068015838 /nfs/dbraw/zinc/01/58/38/1068015838.db2.gz UEESGMNUMXGULV-HUUCEWRRSA-N 0 0 456.538 4.945 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC001462149452 1068015934 /nfs/dbraw/zinc/01/59/34/1068015934.db2.gz WAUINBXJROFIQX-KMVAXQJASA-N 0 0 451.470 4.962 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462150466 1068016088 /nfs/dbraw/zinc/01/60/88/1068016088.db2.gz YDZLRPGRXIYJFA-FXAWDEMLSA-N 0 0 459.493 4.756 20 0 JJADRN O=C(Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001462150532 1068016209 /nfs/dbraw/zinc/01/62/09/1068016209.db2.gz ZCPDLSUFKJROJJ-ZIFCJYIRSA-N 0 0 453.530 4.819 20 0 JJADRN COc1cc(CN2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151027 1068016645 /nfs/dbraw/zinc/01/66/45/1068016645.db2.gz UTUBQLKEILGGPN-NRFANRHFSA-N 0 0 457.384 4.820 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1Br)C[C@H](O)COc1ccccc1 ZINC001462152347 1068017331 /nfs/dbraw/zinc/01/73/31/1068017331.db2.gz APKQUXMUVNCCMC-KRWDZBQOSA-N 0 0 457.206 4.862 20 0 JJADRN Cc1cc(Br)cn2c(CN3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)cnc12 ZINC001462155395 1068018414 /nfs/dbraw/zinc/01/84/14/1068018414.db2.gz ZZZMPJIRXNBNND-MRXNPFEDSA-N 0 0 451.409 4.532 20 0 JJADRN CN(C(=O)c1cc(Br)cnc1C1CC1)c1nc2cc(Br)ccc2o1 ZINC001462160766 1068018944 /nfs/dbraw/zinc/01/89/44/1068018944.db2.gz CPHZINMUTDDBME-UHFFFAOYSA-N 0 0 451.118 4.902 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3ccc(Cl)c(CN4CCOCC4)c3)C[C@@H]2C1 ZINC001462160877 1068018971 /nfs/dbraw/zinc/01/89/71/1068018971.db2.gz DPYGYNUJBDAOEX-NLWGTHIKSA-N 0 0 450.023 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3ccc(Cl)c(CN4CCOCC4)c3)C[C@H]2C1 ZINC001462160865 1068019203 /nfs/dbraw/zinc/01/92/03/1068019203.db2.gz DPYGYNUJBDAOEX-BJLQDIEVSA-N 0 0 450.023 4.620 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CNc3cc(NC(=O)N(C)C)ccc3C)cs2)cc1 ZINC001462164394 1068019851 /nfs/dbraw/zinc/01/98/51/1068019851.db2.gz IHCCJXJQNSZMTL-UHFFFAOYSA-N 0 0 453.568 4.850 20 0 JJADRN Cc1ccc2sc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3Cl)nc2c1C ZINC001462172533 1068021362 /nfs/dbraw/zinc/02/13/62/1068021362.db2.gz REWMIXNAEUZEAL-UHFFFAOYSA-N 0 0 452.001 4.896 20 0 JJADRN CCNC(=O)Nc1ccc(C)c(NCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001462173848 1068021757 /nfs/dbraw/zinc/02/17/57/1068021757.db2.gz DOXWMZYNZLWFOC-UHFFFAOYSA-N 0 0 456.587 4.900 20 0 JJADRN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462173554 1068021787 /nfs/dbraw/zinc/02/17/87/1068021787.db2.gz BCMLOOYUIBTDFW-GOSISDBHSA-N 0 0 452.020 4.909 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)c1 ZINC001462174357 1068021922 /nfs/dbraw/zinc/02/19/22/1068021922.db2.gz ASJYYQRNNCAGMS-UGSOOPFHSA-N 0 0 455.725 4.592 20 0 JJADRN O=C1NC(=O)[C@]2(CCCN(Cc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)C2)N1 ZINC001462174388 1068021938 /nfs/dbraw/zinc/02/19/38/1068021938.db2.gz GNHJBYBEVDHBNN-HXUWFJFHSA-N 0 0 454.741 4.613 20 0 JJADRN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462173561 1068022055 /nfs/dbraw/zinc/02/20/55/1068022055.db2.gz BCMLOOYUIBTDFW-SFHVURJKSA-N 0 0 452.020 4.909 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nc(C3CCOCC3)ns2)c1Cl ZINC001462176319 1068022276 /nfs/dbraw/zinc/02/22/76/1068022276.db2.gz IDQDBRFOAZLMHY-UHFFFAOYSA-N 0 0 452.964 4.614 20 0 JJADRN CCOc1cc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001462174599 1068022500 /nfs/dbraw/zinc/02/25/00/1068022500.db2.gz BUJXDIFIHNOKFN-HXUWFJFHSA-N 0 0 450.579 4.922 20 0 JJADRN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178862 1068022788 /nfs/dbraw/zinc/02/27/88/1068022788.db2.gz GAYUELNPAITMEE-PMACEKPBSA-N 0 0 457.590 4.688 20 0 JJADRN CN(Cc1ccc(F)cc1Br)Cc1ccc(F)cc1I ZINC001462179507 1068023070 /nfs/dbraw/zinc/02/30/70/1068023070.db2.gz OTPRUCGXOOJYTP-UHFFFAOYSA-N 0 0 452.080 4.964 20 0 JJADRN CCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CCOCC1 ZINC001546129910 1068023708 /nfs/dbraw/zinc/02/37/08/1068023708.db2.gz YKJMYEOTYBYVHU-KRWDZBQOSA-N 0 0 464.557 4.757 20 0 JJADRN C[C@@H](CNc1ccc(Br)cc1OC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC001462182241 1068023750 /nfs/dbraw/zinc/02/37/50/1068023750.db2.gz UEOOSMSRDPNZAS-NSHDSACASA-N 0 0 452.292 4.967 20 0 JJADRN O=C(COc1ccccc1)N1CCC(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC001462181611 1068023879 /nfs/dbraw/zinc/02/38/79/1068023879.db2.gz AQFBUOWWMHDGTE-SANMLTNESA-N 0 0 452.570 4.881 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)C1(c2ccc(I)cc2)CC1 ZINC001462184413 1068024258 /nfs/dbraw/zinc/02/42/58/1068024258.db2.gz NILGZESVAPMEEJ-UHFFFAOYSA-N 0 0 459.205 4.707 20 0 JJADRN Fc1ccc(CN(Cc2ncc(Br)cc2Br)C2CCOCC2)cc1 ZINC001462187765 1068025079 /nfs/dbraw/zinc/02/50/79/1068025079.db2.gz IDOTUMUDPAAEAR-UHFFFAOYSA-N 0 0 458.169 4.927 20 0 JJADRN O=C(NCC[C@H]1CCSC1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001462195444 1068027054 /nfs/dbraw/zinc/02/70/54/1068027054.db2.gz PEVDNRUMRSRZOD-VIFPVBQESA-N 0 0 454.852 4.750 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)Nc1[nH]nc2cnc(Br)cc21 ZINC001462198202 1068027571 /nfs/dbraw/zinc/02/75/71/1068027571.db2.gz LLROLJQYRZWUAP-UHFFFAOYSA-N 0 0 452.403 4.701 20 0 JJADRN Ic1cccc(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC001462201217 1068028044 /nfs/dbraw/zinc/02/80/44/1068028044.db2.gz VKLWWRRRNNCPHW-KRWDZBQOSA-N 0 0 450.368 4.837 20 0 JJADRN CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)c1C(=O)OCC ZINC001462201407 1068028164 /nfs/dbraw/zinc/02/81/64/1068028164.db2.gz ZTKDJRDKRYODIW-LLVKDONJSA-N 0 0 459.442 4.526 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1cn2c(Br)cnc2s1 ZINC001462203332 1068028437 /nfs/dbraw/zinc/02/84/37/1068028437.db2.gz MNQZCLDZKCMRFR-UHFFFAOYSA-N 0 0 452.074 4.556 20 0 JJADRN O=C(c1c(F)ccc(SCC2CC2)c1F)N(CCN1CCOCC1)c1ccccc1F ZINC001462204759 1068028742 /nfs/dbraw/zinc/02/87/42/1068028742.db2.gz SPGODTXCGKTJMK-UHFFFAOYSA-N 0 0 450.526 4.585 20 0 JJADRN CCCc1c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cnn1-c1cccc(F)c1 ZINC001546130077 1068029365 /nfs/dbraw/zinc/02/93/65/1068029365.db2.gz DLWIIBSSMXEAAO-QHCPKHFHSA-N 0 0 452.530 4.853 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC001462215353 1068030296 /nfs/dbraw/zinc/03/02/96/1068030296.db2.gz CURPKNOCOVNWSI-KUHUBIRLSA-N 0 0 457.489 4.801 20 0 JJADRN C[C@H](C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC001462215347 1068030406 /nfs/dbraw/zinc/03/04/06/1068030406.db2.gz CURPKNOCOVNWSI-AUUYWEPGSA-N 0 0 457.489 4.801 20 0 JJADRN CC[C@@H]1CN(Cc2ccccc2Oc2ccc(Br)cc2F)C[C@@H](C)S1(=O)=O ZINC001462223240 1068031766 /nfs/dbraw/zinc/03/17/66/1068031766.db2.gz DVQVFHNJQVOTKX-RHSMWYFYSA-N 0 0 456.377 4.778 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)N3CCC[C@]3(C)Cc3ccc(F)c(Cl)c3)c2)o1 ZINC001462224934 1068032358 /nfs/dbraw/zinc/03/23/58/1068032358.db2.gz CORLSPSWZGYHGR-XMMPIXPASA-N 0 0 457.933 4.955 20 0 JJADRN Fc1ccc(I)c(F)c1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001462225399 1068032394 /nfs/dbraw/zinc/03/23/94/1068032394.db2.gz MDAJCGVLMLCVJU-SIXWZSSISA-N 0 0 455.286 4.574 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001462228352 1068033248 /nfs/dbraw/zinc/03/32/48/1068033248.db2.gz QMXQLNHUEXDJIR-HJPURHCSSA-N 0 0 455.039 4.640 20 0 JJADRN O=C(NCc1cc(Cl)cc(Cl)c1F)c1cc(Br)nc(Br)c1 ZINC001462227741 1068033363 /nfs/dbraw/zinc/03/33/63/1068033363.db2.gz OTOOLMSIIXDERG-UHFFFAOYSA-N 0 0 456.924 4.983 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1 ZINC001462228659 1068033474 /nfs/dbraw/zinc/03/34/74/1068033474.db2.gz GAJIRYNDLWWGMU-OAHLLOKOSA-N 0 0 459.612 4.893 20 0 JJADRN C[C@@H](NC(=O)CSc1ccccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462233956 1068035001 /nfs/dbraw/zinc/03/50/01/1068035001.db2.gz MGZSGYKESAHJGM-CQSZACIVSA-N 0 0 457.434 4.693 20 0 JJADRN Cn1cc(C(F)F)c(CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n1 ZINC001462250516 1068037917 /nfs/dbraw/zinc/03/79/17/1068037917.db2.gz SQQXPAQUBYBVIK-GOSISDBHSA-N 0 0 450.283 4.557 20 0 JJADRN CC[C@@H](CC1CCCC1)C(=O)N[C@H](CC(=O)OC)c1cccc(I)c1 ZINC001462257299 1068039330 /nfs/dbraw/zinc/03/93/30/1068039330.db2.gz JCUFUNQLHYLGGG-MAUKXSAKSA-N 0 0 457.352 4.618 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cccc3cccc(Br)c32)C1 ZINC001462257907 1068039344 /nfs/dbraw/zinc/03/93/44/1068039344.db2.gz HPUFRZQSYAWHID-HXUWFJFHSA-N 0 0 453.380 4.542 20 0 JJADRN Cc1ccccc1CN1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 ZINC001462258707 1068040308 /nfs/dbraw/zinc/04/03/08/1068040308.db2.gz JVDYVEMIMITFPG-LJQANCHMSA-N 0 0 458.480 4.905 20 0 JJADRN CCCCN(C(=O)CCOc1ccccc1I)c1ccc(Cl)nc1 ZINC001462260763 1068040616 /nfs/dbraw/zinc/04/06/16/1068040616.db2.gz FUXJGCVRJQKEHY-UHFFFAOYSA-N 0 0 458.727 4.942 20 0 JJADRN CCOC1CCC(OC(=O)c2cc(Br)cc(I)c2)CC1 ZINC001462277594 1068042522 /nfs/dbraw/zinc/04/25/22/1068042522.db2.gz JPTHXXJGHWQFPC-UHFFFAOYSA-N 0 0 453.114 4.558 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@@H]1CCO[C@@H]1C ZINC001462291856 1068044805 /nfs/dbraw/zinc/04/48/05/1068044805.db2.gz ANJCNOQGZJTEAE-HCOVKFPFSA-N 0 0 456.970 4.864 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC001462294590 1068045586 /nfs/dbraw/zinc/04/55/86/1068045586.db2.gz KYADAALKIUIGRN-ZDUSSCGKSA-N 0 0 455.132 4.943 20 0 JJADRN Cc1cc(Cl)ccc1N(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)[C@H]1CCO[C@H]1C ZINC001462295527 1068045948 /nfs/dbraw/zinc/04/59/48/1068045948.db2.gz JYRMQLRGIACKFB-JTSKRJEESA-N 0 0 450.000 4.584 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Oc1c(Cl)cccc1Br ZINC001462308644 1068047909 /nfs/dbraw/zinc/04/79/09/1068047909.db2.gz NHURWCCSXAVCJN-NSHDSACASA-N 0 0 450.782 4.751 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(OCCOC)CC2)CCC1 ZINC001546130726 1068048105 /nfs/dbraw/zinc/04/81/05/1068048105.db2.gz AOCMSOLOZCJYCK-UHFFFAOYSA-N 0 0 477.447 4.920 20 0 JJADRN C[C@H](CN1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001462309745 1068048215 /nfs/dbraw/zinc/04/82/15/1068048215.db2.gz XTAXESXFKVJRFD-MOPGFXCFSA-N 0 0 458.624 4.839 20 0 JJADRN Cc1c(C(=O)Nc2c(F)cc(Cl)cc2Br)nnn1Cc1ccc(F)cc1F ZINC001462309268 1068048230 /nfs/dbraw/zinc/04/82/30/1068048230.db2.gz NSNCBZGNPPOQNO-UHFFFAOYSA-N 0 0 459.653 4.720 20 0 JJADRN CN(C(=O)CSCC(=O)Nc1c(F)cc(Cl)cc1Br)C1CCCCC1 ZINC001462310711 1068048928 /nfs/dbraw/zinc/04/89/28/1068048928.db2.gz RJDIFNMGHNUCOX-UHFFFAOYSA-N 0 0 451.789 4.704 20 0 JJADRN CCCCCOC1CN(Cc2cc(I)c(Br)cc2F)C1 ZINC001462312375 1068049090 /nfs/dbraw/zinc/04/90/90/1068049090.db2.gz CDCGJNVSQIKIDI-UHFFFAOYSA-N 0 0 456.137 4.584 20 0 JJADRN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC001462314364 1068049578 /nfs/dbraw/zinc/04/95/78/1068049578.db2.gz HKKLHRQMBSZRNI-SANMLTNESA-N 0 0 458.558 4.891 20 0 JJADRN C[C@H]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462314951 1068049854 /nfs/dbraw/zinc/04/98/54/1068049854.db2.gz PVFXWTCHSGZORQ-LSDHHAIUSA-N 0 0 454.402 4.557 20 0 JJADRN COC[C@@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)c1cccc(Br)c1 ZINC001462322964 1068051047 /nfs/dbraw/zinc/05/10/47/1068051047.db2.gz LKYNWYCCZOQGRI-OAHLLOKOSA-N 0 0 450.358 4.603 20 0 JJADRN COC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(Br)c1 ZINC001462323622 1068051546 /nfs/dbraw/zinc/05/15/46/1068051546.db2.gz OIPSKHQSLYNMBX-KSZLIROESA-N 0 0 453.174 4.819 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)c4cnn(C(C)(C)C)c4Br)c3)[nH]c2n1 ZINC001462328305 1068052160 /nfs/dbraw/zinc/05/21/60/1068052160.db2.gz XLIGSQQJZSIBAT-UHFFFAOYSA-N 0 0 453.344 4.900 20 0 JJADRN O=C(C[C@@H]1CCCC(=O)N1)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 ZINC001462334479 1068053023 /nfs/dbraw/zinc/05/30/23/1068053023.db2.gz OLTJPSRZXSGJMS-KRWDZBQOSA-N 0 0 457.361 4.903 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001462335175 1068053385 /nfs/dbraw/zinc/05/33/85/1068053385.db2.gz XUJSUECWVMGMSN-UONOGXRCSA-N 0 0 454.361 4.631 20 0 JJADRN Cc1nn(-c2cccc(F)c2)cc1CN1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462335241 1068053699 /nfs/dbraw/zinc/05/36/99/1068053699.db2.gz DQZHBKCJCZFNAM-BJKOFHAPSA-N 0 0 468.548 4.952 20 0 JJADRN Cc1nc(CCC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)oc1-c1ccccc1 ZINC001462343317 1068055392 /nfs/dbraw/zinc/05/53/92/1068055392.db2.gz GNCNOFFYKGCCQL-SFTDATJTSA-N 0 0 453.583 4.831 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ccc(OC)c(COC)c2)cc1OCC ZINC001462344035 1068055487 /nfs/dbraw/zinc/05/54/87/1068055487.db2.gz UZFMMACUBLSQEE-UHFFFAOYSA-N 0 0 452.345 4.583 20 0 JJADRN CN(C)c1ccc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)cc1F ZINC001462344240 1068055625 /nfs/dbraw/zinc/05/56/25/1068055625.db2.gz IAZSMHQOJOCKJN-UHFFFAOYSA-N 0 0 452.189 4.767 20 0 JJADRN Cc1cc([C@@H](CC(=O)Nc2ccc(N(C)C)c(F)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462344863 1068055906 /nfs/dbraw/zinc/05/59/06/1068055906.db2.gz JHUMFEUIMRRCII-QGZVFWFLSA-N 0 0 450.942 4.843 20 0 JJADRN CC(=O)N1CCN(c2ccc(NC(=O)c3sc(-c4cccc(Cl)c4)nc3C)cc2)CC1 ZINC001462347437 1068056126 /nfs/dbraw/zinc/05/61/26/1068056126.db2.gz WILVWWAIFWUDAM-UHFFFAOYSA-N 0 0 454.983 4.693 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462347621 1068056351 /nfs/dbraw/zinc/05/63/51/1068056351.db2.gz FXVZAUPVESZTRO-FRQCXROJSA-N 0 0 456.505 4.721 20 0 JJADRN CC(=O)c1ccc(Br)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 ZINC001462348694 1068056807 /nfs/dbraw/zinc/05/68/07/1068056807.db2.gz KEDPGWFXAYGARM-UHFFFAOYSA-N 0 0 458.337 4.542 20 0 JJADRN Cc1cccc(CC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1Br ZINC001462349545 1068057122 /nfs/dbraw/zinc/05/71/22/1068057122.db2.gz OKONVIRELJVMLH-QZTJIDSGSA-N 0 0 451.405 4.548 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)cc(Br)cc2F)C1 ZINC001462349551 1068057154 /nfs/dbraw/zinc/05/71/54/1068057154.db2.gz OKYDQFAQKLOOSO-LRDDRELGSA-N 0 0 459.331 4.589 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001462350698 1068057350 /nfs/dbraw/zinc/05/73/50/1068057350.db2.gz SSLHJAZQSIGMPG-MJGOQNOKSA-N 0 0 458.990 4.696 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001462350702 1068057502 /nfs/dbraw/zinc/05/75/02/1068057502.db2.gz SSLHJAZQSIGMPG-PKOBYXMFSA-N 0 0 458.990 4.696 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2Br)s1 ZINC001462351989 1068057516 /nfs/dbraw/zinc/05/75/16/1068057516.db2.gz AGBIGKPKFZVESL-OAHLLOKOSA-N 0 0 451.386 4.909 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001546131015 1068057642 /nfs/dbraw/zinc/05/76/42/1068057642.db2.gz MPDSBTCCLFCRCA-UHFFFAOYSA-N 0 0 453.450 4.948 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001546131045 1068057780 /nfs/dbraw/zinc/05/77/80/1068057780.db2.gz NLPGNEIEVMJXMN-AWEZNQCLSA-N 0 0 481.822 4.941 20 0 JJADRN CCOc1cc(CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)ccc1OC(=O)CC ZINC001462354772 1068057918 /nfs/dbraw/zinc/05/79/18/1068057918.db2.gz DLTSSOVTUMXVMY-FQEVSTJZSA-N 0 0 454.567 4.857 20 0 JJADRN CC1(C)COc2cc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)ccc2NC1=O ZINC001462355930 1068058167 /nfs/dbraw/zinc/05/81/67/1068058167.db2.gz YVVSBNBCWPOZRT-UHFFFAOYSA-N 0 0 454.914 4.709 20 0 JJADRN CN(C)c1nc(C(F)(F)F)ccc1CN1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462355667 1068058402 /nfs/dbraw/zinc/05/84/02/1068058402.db2.gz GTVIXIULGZMANN-QGZVFWFLSA-N 0 0 450.505 4.622 20 0 JJADRN CN(C)c1nc(C(F)(F)F)ccc1CN1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001462355664 1068058477 /nfs/dbraw/zinc/05/84/77/1068058477.db2.gz GTVIXIULGZMANN-KRWDZBQOSA-N 0 0 450.505 4.622 20 0 JJADRN O=C(Cc1cccc(I)c1)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC001462357937 1068058712 /nfs/dbraw/zinc/05/87/12/1068058712.db2.gz ZPZRKKPMCOOMRG-MJGOQNOKSA-N 0 0 455.723 4.524 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3ccn(-c4cccc(Br)c4)n3)nc21 ZINC001462358477 1068058789 /nfs/dbraw/zinc/05/87/89/1068058789.db2.gz AWCZIGQTZOENFE-UHFFFAOYSA-N 0 0 459.325 4.514 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(Br)cnc2Cl)C1 ZINC001462358692 1068058866 /nfs/dbraw/zinc/05/88/66/1068058866.db2.gz NWDWRGCAOPFUJH-INIZCTEOSA-N 0 0 452.780 4.954 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001462364560 1068060554 /nfs/dbraw/zinc/06/05/54/1068060554.db2.gz OWZLPTTVGSQFJE-TZIWHRDSSA-N 0 0 480.779 4.927 20 0 JJADRN CCc1cc(C)c(OC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)c(C)c1 ZINC001462376506 1068062550 /nfs/dbraw/zinc/06/25/50/1068062550.db2.gz HMUFLSJZGAASLD-IIBYNOLFSA-N 0 0 459.608 4.951 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001462381283 1068063518 /nfs/dbraw/zinc/06/35/18/1068063518.db2.gz SKQLOAFWYZIODJ-LFAQGZIKSA-N 0 0 463.416 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CC(c2cc(CNc3ccc(C(=O)NC4CCCCC4)cc3)on2)C1 ZINC001462389344 1068064231 /nfs/dbraw/zinc/06/42/31/1068064231.db2.gz GAYJYSISGFUWMA-UHFFFAOYSA-N 0 0 454.571 4.684 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1C(=O)c1ccccc1 ZINC001462394851 1068065048 /nfs/dbraw/zinc/06/50/48/1068065048.db2.gz JEKDTTSGHBVNJJ-PZJWPPBQSA-N 0 0 452.551 4.948 20 0 JJADRN CCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C(C)C)C2)CCC1 ZINC001546131280 1068065212 /nfs/dbraw/zinc/06/52/12/1068065212.db2.gz VLSZMODOVZIKEY-HXUWFJFHSA-N 0 0 462.685 4.507 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@H]1CCCn2nccc21 ZINC001462394262 1068065284 /nfs/dbraw/zinc/06/52/84/1068065284.db2.gz NYJRVLQSOVXGSQ-HNNXBMFYSA-N 0 0 451.518 4.795 20 0 JJADRN CCOC(=O)/C=C/c1ccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)cc1 ZINC001462395847 1068065291 /nfs/dbraw/zinc/06/52/91/1068065291.db2.gz LKBYNFWUVKPESE-BJMVGYQFSA-N 0 0 453.926 4.913 20 0 JJADRN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2scc(Br)c2Br)cn1 ZINC001462411885 1068068538 /nfs/dbraw/zinc/06/85/38/1068068538.db2.gz PQODMPBIZMLTOA-CLYYMRHHSA-N 0 0 459.207 4.557 20 0 JJADRN Cc1c(I)cc(Br)cc1NC[C@@H]1C[C@]1(C)Br ZINC001462480435 1068082330 /nfs/dbraw/zinc/08/23/30/1068082330.db2.gz RGLRPAHYBXZOEV-UFBFGSQYSA-N 0 0 458.963 4.948 20 0 JJADRN O=C(Nc1cc(Br)cc2c1NC(=O)CO2)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001462419037 1068070371 /nfs/dbraw/zinc/07/03/71/1068070371.db2.gz UQBLGVYMXASFGQ-UHFFFAOYSA-N 0 0 458.699 4.748 20 0 JJADRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001546131496 1068070453 /nfs/dbraw/zinc/07/04/53/1068070453.db2.gz BZNCGZRWPJLWQH-ISKFKSNPSA-N 0 0 454.636 4.563 20 0 JJADRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cc(Br)c(C)cc2Br)C1 ZINC001462419860 1068070685 /nfs/dbraw/zinc/07/06/85/1068070685.db2.gz BJQQCTBRXHEUOZ-NWDGAFQWSA-N 0 0 473.127 4.693 20 0 JJADRN CCOC(=O)[C@]1(F)CN(Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CC12CCC2 ZINC001462419786 1068070773 /nfs/dbraw/zinc/07/07/73/1068070773.db2.gz GYVVOCSSQJANDV-XMMPIXPASA-N 0 0 459.587 4.702 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)C3(C)C)C2)s1 ZINC001462421611 1068071200 /nfs/dbraw/zinc/07/12/00/1068071200.db2.gz LKSITOMPJKCQLH-DUXKGJEZSA-N 0 0 460.665 4.640 20 0 JJADRN Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001462422933 1068071337 /nfs/dbraw/zinc/07/13/37/1068071337.db2.gz AWUSQYVKEPJXHM-GMAHTHKFSA-N 0 0 474.502 4.571 20 0 JJADRN Cc1cccc(OC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC001462426749 1068072172 /nfs/dbraw/zinc/07/21/72/1068072172.db2.gz XOZLJZLAWLHQOO-KRWDZBQOSA-N 0 0 452.267 4.852 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)c1 ZINC001462428827 1068072586 /nfs/dbraw/zinc/07/25/86/1068072586.db2.gz PLUDDYXYLLCOCV-KRWDZBQOSA-N 0 0 450.429 4.680 20 0 JJADRN CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073159 /nfs/dbraw/zinc/07/31/59/1068073159.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N 0 0 474.502 4.746 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N1CCCCc2ccc(Br)cc21 ZINC001462433079 1068073675 /nfs/dbraw/zinc/07/36/75/1068073675.db2.gz DQYPNINCRJLNEP-UHFFFAOYSA-N 0 0 459.384 4.727 20 0 JJADRN O=C(N[C@@H](Cc1cccnc1)C1CCCC1)c1ccc(Cl)c(I)c1 ZINC001462433352 1068073739 /nfs/dbraw/zinc/07/37/39/1068073739.db2.gz IEXUHYGXWWTARZ-SFHVURJKSA-N 0 0 454.739 4.871 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462442954 1068075095 /nfs/dbraw/zinc/07/50/95/1068075095.db2.gz QFYYGIADMAHQGV-CRAIPNDOSA-N 0 0 450.457 4.522 20 0 JJADRN O=C(N1CCC[C@H](C2CCN(Cc3cccc(Br)c3F)CC2)C1)C(F)(F)F ZINC001462443722 1068075591 /nfs/dbraw/zinc/07/55/91/1068075591.db2.gz UIGJDDDQSJLUMH-AWEZNQCLSA-N 0 0 451.302 4.601 20 0 JJADRN O=C(Nc1ccccc1Oc1cccc(I)c1)c1ncc2n1CCCC2 ZINC001462451032 1068077304 /nfs/dbraw/zinc/07/73/04/1068077304.db2.gz RRPYHMUHQXJISM-UHFFFAOYSA-N 0 0 459.287 4.869 20 0 JJADRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](c4ccccc4Cl)C3(C)C)C2=O)c1 ZINC001462453775 1068077915 /nfs/dbraw/zinc/07/79/15/1068077915.db2.gz QFWUIBIBXQPAKC-CTNGQTDRSA-N 0 0 453.970 4.648 20 0 JJADRN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462456047 1068078335 /nfs/dbraw/zinc/07/83/35/1068078335.db2.gz GGLLDPMOASGYQZ-SFHVURJKSA-N 0 0 454.317 4.944 20 0 JJADRN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc(C(C)C)n(-c4ccccc4)n3)C2)nc1C ZINC001462462693 1068079892 /nfs/dbraw/zinc/07/98/92/1068079892.db2.gz LZEYIOJESKKERA-QGZVFWFLSA-N 0 0 452.580 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NC[C@@]2(C)OCCc3ccccc32)CC1 ZINC001462471238 1068081425 /nfs/dbraw/zinc/08/14/25/1068081425.db2.gz RCCUNBMUDRWARD-BKMJKUGQSA-N 0 0 456.627 4.798 20 0 JJADRN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 ZINC001462483830 1068082793 /nfs/dbraw/zinc/08/27/93/1068082793.db2.gz ULSOFRBVFBYLKY-ZWKOTPCHSA-N 0 0 455.986 4.832 20 0 JJADRN COc1ccc(OCC(=O)Oc2cc(C(C)(C)C)ccc2I)cc1C ZINC001462489410 1068083872 /nfs/dbraw/zinc/08/38/72/1068083872.db2.gz GDPSZKGUJHRQHO-UHFFFAOYSA-N 0 0 454.304 4.890 20 0 JJADRN CCO[C@@H](C)c1ncc(C(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)s1 ZINC001462489828 1068084088 /nfs/dbraw/zinc/08/40/88/1068084088.db2.gz VOWFKIBTTNAKPW-IBGZPJMESA-N 0 0 451.592 4.782 20 0 JJADRN CN(C)C(=O)NCCc1ccc(N[C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC001462490900 1068084176 /nfs/dbraw/zinc/08/41/76/1068084176.db2.gz KGXSPIQAKCEEKW-FGZHOGPDSA-N 0 0 459.432 4.510 20 0 JJADRN Cn1nc(C(F)(F)F)c(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1Cl ZINC001462491755 1068084394 /nfs/dbraw/zinc/08/43/94/1068084394.db2.gz FCZXWUPEJLZMHZ-UHFFFAOYSA-N 0 0 458.912 4.675 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)COc3ccccc3C(C)(C)C)CC2)nc1C ZINC001462493411 1068084972 /nfs/dbraw/zinc/08/49/72/1068084972.db2.gz COHLXPGEHUKHFM-UHFFFAOYSA-N 0 0 458.624 4.786 20 0 JJADRN Cc1ccc(CNC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)c(Cl)n1 ZINC001462495712 1068085281 /nfs/dbraw/zinc/08/52/81/1068085281.db2.gz XVYDRQFBKVZFTM-UHFFFAOYSA-N 0 0 455.755 4.601 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001462497329 1068085680 /nfs/dbraw/zinc/08/56/80/1068085680.db2.gz SXCJEPJCLCNHLV-QHCPKHFHSA-N 0 0 450.526 4.708 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2cc3ccccc3o2)cc1 ZINC001462499370 1068085914 /nfs/dbraw/zinc/08/59/14/1068085914.db2.gz CPYWHYJUHDEPRD-JOCHJYFZSA-N 0 0 450.535 4.805 20 0 JJADRN COc1cc(I)ccc1C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC001462500675 1068086302 /nfs/dbraw/zinc/08/63/02/1068086302.db2.gz DWPFVQOYZDHMEJ-QGZVFWFLSA-N 0 0 453.345 4.620 20 0 JJADRN Cc1cc(Br)ccc1SCC(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001462501379 1068086891 /nfs/dbraw/zinc/08/68/91/1068086891.db2.gz OXDMFVFALOSAIG-INIZCTEOSA-N 0 0 457.434 4.755 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001462501375 1068086939 /nfs/dbraw/zinc/08/69/39/1068086939.db2.gz OVULRJZAJZWZPV-HNNXBMFYSA-N 0 0 451.539 4.916 20 0 JJADRN C/C(=C/c1ccc(Br)o1)C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001462509040 1068087823 /nfs/dbraw/zinc/08/78/23/1068087823.db2.gz ARLLHZQEFDJLJN-PFONDFGASA-N 0 0 453.377 4.838 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001462510053 1068088130 /nfs/dbraw/zinc/08/81/30/1068088130.db2.gz MMHNHYPLRCPBPB-QGZVFWFLSA-N 0 0 457.755 4.925 20 0 JJADRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC001462511580 1068088410 /nfs/dbraw/zinc/08/84/10/1068088410.db2.gz GXNUUMHOBAUVEN-YPAWHYETSA-N 0 0 456.583 4.993 20 0 JJADRN CCOC(=O)c1cc(CNCc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)on1 ZINC001462513503 1068088823 /nfs/dbraw/zinc/08/88/23/1068088823.db2.gz IABWJJKMSAKIAM-UHFFFAOYSA-N 0 0 450.470 4.567 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COc2cc(C)ccc2C)c1 ZINC001462512495 1068088900 /nfs/dbraw/zinc/08/89/00/1068088900.db2.gz AVTIOYQLYYOZFO-QFIPXVFZSA-N 0 0 454.567 4.511 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3nc4c(s3)C[C@H](C)CC4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517277 1068089400 /nfs/dbraw/zinc/08/94/00/1068089400.db2.gz GHVWTKSVAJPXID-LKUPVBHCSA-N 0 0 457.640 4.769 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2nc(Cl)sc2C)c1 ZINC001462514555 1068089594 /nfs/dbraw/zinc/08/95/94/1068089594.db2.gz FFRWLCOJPFYABG-INIZCTEOSA-N 0 0 451.976 4.548 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001462522249 1068090896 /nfs/dbraw/zinc/09/08/96/1068090896.db2.gz AWONPQPCWGWSRJ-KSZLIROESA-N 0 0 454.901 4.546 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001462524743 1068091577 /nfs/dbraw/zinc/09/15/77/1068091577.db2.gz VALDCEDNVQXWSR-ZYSHUDEJSA-N 0 0 470.413 4.745 20 0 JJADRN CC(=O)c1c(C)cc(NC(=O)c2cnn(-c3ccccc3)c2I)cc1C ZINC001462529363 1068092383 /nfs/dbraw/zinc/09/23/83/1068092383.db2.gz IQRRPEZVRDJMQE-UHFFFAOYSA-N 0 0 459.287 4.549 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462531324 1068092593 /nfs/dbraw/zinc/09/25/93/1068092593.db2.gz IVHDPGUWWSQMTI-CYFREDJKSA-N 0 0 458.961 4.980 20 0 JJADRN CN(Cc1cscc1Br)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001462531213 1068092675 /nfs/dbraw/zinc/09/26/75/1068092675.db2.gz NOXJGZOGTFTTAX-AWEZNQCLSA-N 0 0 455.805 4.675 20 0 JJADRN COC(=O)c1ccc2c(c1)CCN(C(=O)C(C)(C)c1csc(-c3c(F)cccc3F)n1)C2 ZINC001462534492 1068093077 /nfs/dbraw/zinc/09/30/77/1068093077.db2.gz XHNJOEZOSJYRSO-UHFFFAOYSA-N 0 0 456.514 4.737 20 0 JJADRN CN(Cc1cscc1Br)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC001462531445 1068093246 /nfs/dbraw/zinc/09/32/46/1068093246.db2.gz OFRLWZZCBIHUKO-UHFFFAOYSA-N 0 0 455.175 4.731 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001462536203 1068093554 /nfs/dbraw/zinc/09/35/54/1068093554.db2.gz JSDGEUVFWSGDLV-UHFFFAOYSA-N 0 0 450.000 4.920 20 0 JJADRN CCc1ccccc1NC(=O)C[C@H](C)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546841 1068096111 /nfs/dbraw/zinc/09/61/11/1068096111.db2.gz KRSASPPFFGYLKO-INIZCTEOSA-N 0 0 458.628 4.506 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNCc3cc4c(C)nn(C(C)(C)C)c4nc3Cl)C2)cc1C ZINC001462550129 1068096462 /nfs/dbraw/zinc/09/64/62/1068096462.db2.gz UXVPXEFDGLWBNA-GOSISDBHSA-N 0 0 455.990 4.748 20 0 JJADRN COC(=O)N1CCC(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)CC1 ZINC001462550711 1068096509 /nfs/dbraw/zinc/09/65/09/1068096509.db2.gz QDUZVWVDUJNNSQ-UHFFFAOYSA-N 0 0 452.885 4.847 20 0 JJADRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F ZINC001462552171 1068097146 /nfs/dbraw/zinc/09/71/46/1068097146.db2.gz GLMPZJVLBNZOBT-MRXNPFEDSA-N 0 0 452.901 4.659 20 0 JJADRN O=C(Cc1ccc(I)c(Br)c1)Nc1cscc1Cl ZINC001462555043 1068097497 /nfs/dbraw/zinc/09/74/97/1068097497.db2.gz HFRARZSZRRPTHU-UHFFFAOYSA-N 0 0 456.530 4.950 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNCc3cc(Cl)ccc3I)C2)cc1C ZINC001462557831 1068098086 /nfs/dbraw/zinc/09/80/86/1068098086.db2.gz WJVTVKNPXPCMOX-KRWDZBQOSA-N 0 0 454.739 4.844 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001462565492 1068099219 /nfs/dbraw/zinc/09/92/19/1068099219.db2.gz FPIKQNRNYWLAGG-GMAHTHKFSA-N 0 0 455.961 4.802 20 0 JJADRN COc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c2nccc(OC)c2c1 ZINC001462566183 1068099471 /nfs/dbraw/zinc/09/94/71/1068099471.db2.gz NPCBYFPZTSMKAY-UHFFFAOYSA-N 0 0 452.898 4.917 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC001462574660 1068101050 /nfs/dbraw/zinc/10/10/50/1068101050.db2.gz QGNZJQPRQHVTIM-QKYXUNIQSA-N 0 0 453.535 4.726 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC001462574345 1068101172 /nfs/dbraw/zinc/10/11/72/1068101172.db2.gz QGNZJQPRQHVTIM-MOXGXCLJSA-N 0 0 453.535 4.726 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC[C@H](C(F)(F)F)O[C@@H](C)C3)cc12 ZINC001462577385 1068102386 /nfs/dbraw/zinc/10/23/86/1068102386.db2.gz HCGHEPVDHMTYRF-KPZWWZAWSA-N 0 0 455.477 4.776 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CCCC1 ZINC001546132577 1068103892 /nfs/dbraw/zinc/10/38/92/1068103892.db2.gz NKRAATZJZJNDSI-LJQANCHMSA-N 0 0 488.474 4.949 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](COCCOC)C2)CC1 ZINC001546132589 1068104065 /nfs/dbraw/zinc/10/40/65/1068104065.db2.gz NUIUXYNAFDEUPS-INIZCTEOSA-N 0 0 481.410 4.526 20 0 JJADRN CCn1cc(CN2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccccc2)n1 ZINC001462588545 1068105197 /nfs/dbraw/zinc/10/51/97/1068105197.db2.gz JGGDSBCLDIFLCX-OALUTQOASA-N 0 0 452.521 4.848 20 0 JJADRN COCCOc1cncc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)c1 ZINC001462589583 1068105832 /nfs/dbraw/zinc/10/58/32/1068105832.db2.gz QVNBVYLYIBQOKU-QFIPXVFZSA-N 0 0 455.352 4.731 20 0 JJADRN CSCC[C@H](C(=O)Nc1ccc(C)c(-c2ccsc2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001462591048 1068106536 /nfs/dbraw/zinc/10/65/36/1068106536.db2.gz XKRDHUAHPGRTRG-IRFCIJBXSA-N 0 0 456.633 4.959 20 0 JJADRN CSCC[C@@H](C(=O)Nc1ccc(C)c(-c2ccsc2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001462591057 1068106575 /nfs/dbraw/zinc/10/65/75/1068106575.db2.gz XKRDHUAHPGRTRG-ZVDOUQERSA-N 0 0 456.633 4.959 20 0 JJADRN Cc1nn(-c2ccc(C)cc2)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590346 1068106616 /nfs/dbraw/zinc/10/66/16/1068106616.db2.gz LRSZOMRUMVVQKQ-UXHICEINSA-N 0 0 452.521 4.767 20 0 JJADRN CC(=O)NCc1cccc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)c1 ZINC001462590926 1068106677 /nfs/dbraw/zinc/10/66/77/1068106677.db2.gz UYOKAYKJEFWPJY-QHCPKHFHSA-N 0 0 451.364 4.947 20 0 JJADRN C[C@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1 ZINC001462591156 1068106953 /nfs/dbraw/zinc/10/69/53/1068106953.db2.gz VRPIGAHTIRIQLO-ZETCQYMHSA-N 0 0 453.056 4.511 20 0 JJADRN Cn1cc(CN2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(F)cc2)n1 ZINC001462592324 1068107048 /nfs/dbraw/zinc/10/70/48/1068107048.db2.gz OGFHDJGTGPPRKJ-ROUUACIJSA-N 0 0 456.484 4.504 20 0 JJADRN Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1Br ZINC001462597110 1068108141 /nfs/dbraw/zinc/10/81/41/1068108141.db2.gz MAPCNZYUHGZKGP-UHFFFAOYSA-N 0 0 458.377 4.661 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462596425 1068108255 /nfs/dbraw/zinc/10/82/55/1068108255.db2.gz HNPXXHQELPFICJ-KRWDZBQOSA-N 0 0 457.880 4.711 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(S(=O)(=O)CC)CC2)CCC1 ZINC001546132720 1068108756 /nfs/dbraw/zinc/10/87/56/1068108756.db2.gz QZUOCEGNWJDXSA-UHFFFAOYSA-N 0 0 469.026 4.721 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(C)c(Cl)c1Cl ZINC001462599460 1068108831 /nfs/dbraw/zinc/10/88/31/1068108831.db2.gz RWCRUYGGEGKPMJ-AWEZNQCLSA-N 0 0 450.240 4.715 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001462601189 1068109371 /nfs/dbraw/zinc/10/93/71/1068109371.db2.gz AWFIRDGCTZQDON-HSZRJFAPSA-N 0 0 454.970 4.890 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)Cc2cnn(C)c2C)CCC1 ZINC001546132751 1068110966 /nfs/dbraw/zinc/11/09/66/1068110966.db2.gz SHZGGBXESOPKEY-UHFFFAOYSA-N 0 0 466.630 5.000 20 0 JJADRN C[C@@H](NC(=O)c1cc(I)ccc1F)c1cccc(OC(F)(F)F)c1 ZINC001462607205 1068110984 /nfs/dbraw/zinc/11/09/84/1068110984.db2.gz CQDDYDZQYZMLAK-SECBINFHSA-N 0 0 453.173 4.820 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC001546132787 1068111496 /nfs/dbraw/zinc/11/14/96/1068111496.db2.gz UVYABMHYALOZMX-UHFFFAOYSA-N 0 0 488.961 4.986 20 0 JJADRN C[C@@H](NC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC001462613628 1068112110 /nfs/dbraw/zinc/11/21/10/1068112110.db2.gz YASRVZMZYSMXKF-OLZOCXBDSA-N 0 0 451.470 4.733 20 0 JJADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1nc2cc(Cl)ccc2[nH]1 ZINC001462611752 1068112140 /nfs/dbraw/zinc/11/21/40/1068112140.db2.gz PMYBWPPOGPGRBD-UHFFFAOYSA-N 0 0 452.721 4.662 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CNc2cc(C(=O)OC)cc3cccnc32)cc1 ZINC001462615934 1068112811 /nfs/dbraw/zinc/11/28/11/1068112811.db2.gz URUMCUVGYJBXGI-UHFFFAOYSA-N 0 0 456.498 4.999 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)N3CCCSC[C@@H]3c3ccccc3OC)CC2=O)cc1 ZINC001462617286 1068112840 /nfs/dbraw/zinc/11/28/40/1068112840.db2.gz DYXHLNGZFCVWRN-NZQKXSOJSA-N 0 0 452.620 4.707 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N3CCCSC[C@H]3c3ccccc3OC)CC2=O)cc1 ZINC001462617287 1068113070 /nfs/dbraw/zinc/11/30/70/1068113070.db2.gz DYXHLNGZFCVWRN-OFNKIYASSA-N 0 0 452.620 4.707 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CC(C)(C)CO2)ccc1OCc1ccc(Br)s1 ZINC001462621698 1068114150 /nfs/dbraw/zinc/11/41/50/1068114150.db2.gz HKUCTWDPZYJLEN-AWEZNQCLSA-N 0 0 454.386 4.643 20 0 JJADRN Cn1c(C(=O)NCc2nc(-c3ccncc3)cs2)ccc1-c1ccc(Br)cc1 ZINC001462622546 1068114841 /nfs/dbraw/zinc/11/48/41/1068114841.db2.gz DGCXNMJEZZTFPO-UHFFFAOYSA-N 0 0 453.365 4.903 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462626452 1068116258 /nfs/dbraw/zinc/11/62/58/1068116258.db2.gz NDFHHZMINSKZOL-FXCLAUTBSA-N 0 0 456.505 4.812 20 0 JJADRN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC2CCOCC2)CCOCC1 ZINC001546132901 1068116990 /nfs/dbraw/zinc/11/69/90/1068116990.db2.gz ZMSXOOUTXPLKCG-UHFFFAOYSA-N 0 0 463.022 4.677 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CN1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001462629244 1068117581 /nfs/dbraw/zinc/11/75/81/1068117581.db2.gz NRJANWASIDYNIM-AREMUKBSSA-N 0 0 456.583 4.648 20 0 JJADRN Cc1nc(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c2ccccn12 ZINC001462633487 1068118784 /nfs/dbraw/zinc/11/87/84/1068118784.db2.gz GMEGWEJAIXRMHQ-FPOVZHCZSA-N 0 0 454.615 4.969 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1Br)NCc1ccc(-c2cccc(F)c2F)o1 ZINC001462632935 1068118840 /nfs/dbraw/zinc/11/88/40/1068118840.db2.gz GCXILLRFMHVYKK-GOSISDBHSA-N 0 0 450.279 4.861 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1)C1CCCC1 ZINC001462635258 1068119540 /nfs/dbraw/zinc/11/95/40/1068119540.db2.gz QVNHPCPWIUOYBO-AVRDEDQJSA-N 0 0 456.631 4.982 20 0 JJADRN Cc1cc(Br)c(CN2Cc3ncccc3N3CCC[C@H]3C2)cc1Br ZINC001462640300 1068121480 /nfs/dbraw/zinc/12/14/80/1068121480.db2.gz MFGKZOYTPOFICQ-HNNXBMFYSA-N 0 0 451.206 4.900 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1NC(=O)Nc1ccccc1 ZINC001462639788 1068121499 /nfs/dbraw/zinc/12/14/99/1068121499.db2.gz FBASBZJIIWJNTQ-QFIPXVFZSA-N 0 0 458.518 4.736 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)NC1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462642301 1068121561 /nfs/dbraw/zinc/12/15/61/1068121561.db2.gz BJJYBXUEZPTVJT-ZDUSSCGKSA-N 0 0 450.885 4.556 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001462643612 1068122476 /nfs/dbraw/zinc/12/24/76/1068122476.db2.gz SCYMJKDCKGEFFQ-CQSZACIVSA-N 0 0 457.246 4.565 20 0 JJADRN COc1nc(C)c(Br)cc1C(=O)N(c1ccc(C)c(Cl)c1)[C@H]1CCO[C@H]1C ZINC001462650921 1068124395 /nfs/dbraw/zinc/12/43/95/1068124395.db2.gz RHWMOGOVEQAHQS-UGSOOPFHSA-N 0 0 453.764 4.947 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc2ccccc2c1 ZINC001462662912 1068127137 /nfs/dbraw/zinc/12/71/37/1068127137.db2.gz QHNKIVHSRBENFB-DEOSSOPVSA-N 0 0 458.562 4.511 20 0 JJADRN COc1ccc(/C=C(/C(=O)NCC2(n3cc(Br)cn3)CC2)c2cccs2)cc1 ZINC001462670101 1068127861 /nfs/dbraw/zinc/12/78/61/1068127861.db2.gz QYDVPRULGHYWAN-WOJGMQOQSA-N 0 0 458.381 4.562 20 0 JJADRN COC(=O)[C@H](NC(=O)c1cc2cc(OC)ccc2nc1Cl)c1cccc(C(F)(F)F)c1 ZINC001462669904 1068127880 /nfs/dbraw/zinc/12/78/80/1068127880.db2.gz OOHKHQLWUWEWAH-QGZVFWFLSA-N 0 0 452.816 4.560 20 0 JJADRN COc1ccc([C@@H]2CN(Cc3cc(OC(F)F)ccc3Br)CCO2)cc1OC ZINC001462674085 1068128580 /nfs/dbraw/zinc/12/85/80/1068128580.db2.gz KCEHRJDJNSWLRA-IBGZPJMESA-N 0 0 458.299 4.641 20 0 JJADRN CC(C)c1nc(C(=O)NCCc2nc3c(s2)CCC3)nn1-c1c(Cl)cccc1Cl ZINC001462677526 1068129309 /nfs/dbraw/zinc/12/93/09/1068129309.db2.gz CMBCOTFQLZRYFM-UHFFFAOYSA-N 0 0 450.395 4.615 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462681801 1068130617 /nfs/dbraw/zinc/13/06/17/1068130617.db2.gz YNKWAHXMFHWTLC-LOTLOJIRSA-N 0 0 455.517 4.670 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2c(Br)cc(C=O)cc2OC)cc1C(C)C ZINC001462688703 1068132037 /nfs/dbraw/zinc/13/20/37/1068132037.db2.gz YWQIAXORDSDRGC-UHFFFAOYSA-N 0 0 457.342 4.560 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001462691495 1068132780 /nfs/dbraw/zinc/13/27/80/1068132780.db2.gz WNHUYEBQEQFDHG-SUMWQHHRSA-N 0 0 468.451 4.619 20 0 JJADRN O=c1oc2cc(OS(=O)(=O)c3cc(F)ccc3OC(F)F)ccc2c2c1CCCCC2 ZINC001462691977 1068132801 /nfs/dbraw/zinc/13/28/01/1068132801.db2.gz AZHOVPVYQRPRMQ-UHFFFAOYSA-N 0 0 454.422 4.570 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)cc2c1C ZINC001462691986 1068132865 /nfs/dbraw/zinc/13/28/65/1068132865.db2.gz BRLBETNGJIIWPP-INIZCTEOSA-N 0 0 458.605 4.771 20 0 JJADRN COc1cnc(F)c(CN2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)c1 ZINC001462692762 1068133565 /nfs/dbraw/zinc/13/35/65/1068133565.db2.gz YVSWBSLVTBNTRE-HXUWFJFHSA-N 0 0 457.546 4.612 20 0 JJADRN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3c(Cl)cccc3Br)ccc12 ZINC001462697093 1068134706 /nfs/dbraw/zinc/13/47/06/1068134706.db2.gz ZPBZEQYPAPUUBQ-UHFFFAOYSA-N 0 0 457.729 4.929 20 0 JJADRN CCN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001462703045 1068136542 /nfs/dbraw/zinc/13/65/42/1068136542.db2.gz VTACSLXFQMNSLT-MSOLQXFVSA-N 0 0 471.044 4.648 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC001462704854 1068137156 /nfs/dbraw/zinc/13/71/56/1068137156.db2.gz APOOQPJLSARXBM-ZDUSSCGKSA-N 0 0 456.511 4.892 20 0 JJADRN CCc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2C)N(C)C)cc1 ZINC001462706198 1068137720 /nfs/dbraw/zinc/13/77/20/1068137720.db2.gz HMJHOGVZWQRCHO-GOSISDBHSA-N 0 0 459.837 4.555 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001462712321 1068139379 /nfs/dbraw/zinc/13/93/79/1068139379.db2.gz HVJQBBDHNNSBAM-MRXNPFEDSA-N 0 0 459.342 4.985 20 0 JJADRN C[C@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)CC2(Cn3cnnn3)CCCCC2)C1 ZINC001462712232 1068139441 /nfs/dbraw/zinc/13/94/41/1068139441.db2.gz UKXGLUYXFFUSHP-AWEZNQCLSA-N 0 0 455.912 4.911 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N1C[C@H](C)Cc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462713897 1068140094 /nfs/dbraw/zinc/14/00/94/1068140094.db2.gz ZLJSNBQHERZVRG-CYBMUJFWSA-N 0 0 459.917 4.920 20 0 JJADRN O=c1ccc2cc(S(=O)(=O)Oc3ccc(-c4ccc(Br)cc4)cc3)ccc2o1 ZINC001462719719 1068141702 /nfs/dbraw/zinc/14/17/02/1068141702.db2.gz JEBAMEYQRBEXCA-UHFFFAOYSA-N 0 0 457.301 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2ccc3ccccc3c2)CC2(CCOCC2)C1 ZINC001462719728 1068141741 /nfs/dbraw/zinc/14/17/41/1068141741.db2.gz HHPHRWNMLQKVRA-HSZRJFAPSA-N 0 0 452.595 4.695 20 0 JJADRN CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001462723100 1068142673 /nfs/dbraw/zinc/14/26/73/1068142673.db2.gz AELSAHTYTWSMSW-UHFFFAOYSA-N 0 0 457.148 4.595 20 0 JJADRN CCCOc1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC001462723580 1068142863 /nfs/dbraw/zinc/14/28/63/1068142863.db2.gz NZHVVFLBYCYBAF-UHFFFAOYSA-N 0 0 450.148 4.768 20 0 JJADRN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@H]1c1ccccc1 ZINC001462724426 1068143492 /nfs/dbraw/zinc/14/34/92/1068143492.db2.gz RMONYXIGGDPYRI-HTAPYJJXSA-N 0 0 455.396 4.911 20 0 JJADRN CC(C)COC(=O)N1CCC(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)CC1 ZINC001462725666 1068143891 /nfs/dbraw/zinc/14/38/91/1068143891.db2.gz ZRIDSXBBZMWYLZ-UHFFFAOYSA-N 0 0 451.995 4.559 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462725353 1068143899 /nfs/dbraw/zinc/14/38/99/1068143899.db2.gz YETJXTPXXMALIX-IAGOWNOFSA-N 0 0 461.990 4.762 20 0 JJADRN O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001462732636 1068147220 /nfs/dbraw/zinc/14/72/20/1068147220.db2.gz NMFIYJLXKWDPGZ-SJLPKXTDSA-N 0 0 454.013 4.803 20 0 JJADRN O=S(=O)(N[C@H]1CCSc2ccccc21)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC001462732639 1068147254 /nfs/dbraw/zinc/14/72/54/1068147254.db2.gz NMFIYJLXKWDPGZ-WMZOPIPTSA-N 0 0 454.013 4.803 20 0 JJADRN O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC001462734827 1068147642 /nfs/dbraw/zinc/14/76/42/1068147642.db2.gz PHXFWQFJOQEUQQ-JOCHJYFZSA-N 0 0 451.544 4.863 20 0 JJADRN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(Cl)c1Br ZINC001462735279 1068148260 /nfs/dbraw/zinc/14/82/60/1068148260.db2.gz UYSNRIUQPLQAQE-UHFFFAOYSA-N 0 0 453.583 4.686 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001462735766 1068148369 /nfs/dbraw/zinc/14/83/69/1068148369.db2.gz QAKXVCMOZCKGNP-DZGCQCFKSA-N 0 0 465.310 4.778 20 0 JJADRN O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)Oc1ccccc1-c1ccccc1 ZINC001462734835 1068148399 /nfs/dbraw/zinc/14/83/99/1068148399.db2.gz PHXFWQFJOQEUQQ-QFIPXVFZSA-N 0 0 451.544 4.863 20 0 JJADRN O=S(=O)(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC001462737095 1068148944 /nfs/dbraw/zinc/14/89/44/1068148944.db2.gz BHQSUPHSXNZGGY-UHFFFAOYSA-N 0 0 452.267 4.960 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1Br)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001462738976 1068149394 /nfs/dbraw/zinc/14/93/94/1068149394.db2.gz PSQGFHLQRNVDES-ZDUSSCGKSA-N 0 0 450.807 4.534 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001546133945 1068149497 /nfs/dbraw/zinc/14/94/97/1068149497.db2.gz GIFQEXPGXQYJFD-IBGZPJMESA-N 0 0 483.657 4.531 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1)c1ccc2c(c1)OCCO2 ZINC001462737569 1068149506 /nfs/dbraw/zinc/14/95/06/1068149506.db2.gz IPFRMLAFKBEKIU-JOCHJYFZSA-N 0 0 451.972 4.576 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC[C@H]1CCCCO1)N(Cc1ccccc1F)C1CC1 ZINC001462740081 1068150092 /nfs/dbraw/zinc/15/00/92/1068150092.db2.gz WCUNVAFOQAWIFJ-LJQANCHMSA-N 0 0 453.963 4.780 20 0 JJADRN CCOc1ccc([C@@H](CNS(=O)(=O)CC2(C)CCC2)c2c[nH]c3ccccc32)cc1OC ZINC001462741711 1068151261 /nfs/dbraw/zinc/15/12/61/1068151261.db2.gz WOGPUAINBDDAGH-HXUWFJFHSA-N 0 0 456.608 4.817 20 0 JJADRN CCCCc1ccc([C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C(C)C)cc1 ZINC001462746827 1068153140 /nfs/dbraw/zinc/15/31/40/1068153140.db2.gz OMDBQVXUBAKRGK-FQEVSTJZSA-N 0 0 459.580 4.701 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@@H](c2ccco2)c2ccccc2)cc1Cl ZINC001462748411 1068153759 /nfs/dbraw/zinc/15/37/59/1068153759.db2.gz CGUMFZFLQMJDCL-GOSISDBHSA-N 0 0 456.745 4.772 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(F)(F)F)CC2)CCCC1 ZINC001546134025 1068154262 /nfs/dbraw/zinc/15/42/62/1068154262.db2.gz IVVOKXBZHMTIOQ-UHFFFAOYSA-N 0 0 481.563 4.617 20 0 JJADRN O=C(N[C@@H]1CCCN2CCSC[C@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750027 1068155133 /nfs/dbraw/zinc/15/51/33/1068155133.db2.gz RTQLOAHLEMOTKC-WOJBJXKFSA-N 0 0 451.419 4.882 20 0 JJADRN Cc1ccccc1CS(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001462752864 1068155788 /nfs/dbraw/zinc/15/57/88/1068155788.db2.gz MTLAIEYCLDTMMG-UHFFFAOYSA-N 0 0 456.558 4.510 20 0 JJADRN Cc1nc(CCC(=O)N[C@H]2c3ccccc3OC[C@@H]2F)oc1-c1ccc(Br)cc1 ZINC001462756488 1068156913 /nfs/dbraw/zinc/15/69/13/1068156913.db2.gz KXHJJRVZVGKHGO-UWJYYQICSA-N 0 0 459.315 4.933 20 0 JJADRN CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001462760902 1068158311 /nfs/dbraw/zinc/15/83/11/1068158311.db2.gz VHOSKKMDISFZPS-MRXNPFEDSA-N 0 0 450.004 4.864 20 0 JJADRN O=C(c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1F)N1CCCC1 ZINC001462760814 1068158337 /nfs/dbraw/zinc/15/83/37/1068158337.db2.gz DNMKFLRFRVIOJY-UHFFFAOYSA-N 0 0 452.718 4.790 20 0 JJADRN O=S(=O)(C1=Cc2cc(F)cc(Cl)c2OC1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC001462764188 1068159553 /nfs/dbraw/zinc/15/95/53/1068159553.db2.gz JIBIEJDWABQMDE-MRXNPFEDSA-N 0 0 458.338 4.739 20 0 JJADRN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001462767655 1068160648 /nfs/dbraw/zinc/16/06/48/1068160648.db2.gz XAEKWTIGYNCPOA-QXMXGUDHSA-N 0 0 457.436 4.973 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001462766997 1068160660 /nfs/dbraw/zinc/16/06/60/1068160660.db2.gz QLBUNDJVWPVAKV-QFIPXVFZSA-N 0 0 459.951 4.593 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)NCCc3ccc4ncccc4c3)[nH]c(=O)c2c1C ZINC001462768000 1068160685 /nfs/dbraw/zinc/16/06/85/1068160685.db2.gz XNPMYTPLTHYDKJ-OAHLLOKOSA-N 0 0 452.605 4.543 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1Cl ZINC001462768503 1068160753 /nfs/dbraw/zinc/16/07/53/1068160753.db2.gz YMUFCOKUGNRSSC-VIFPVBQESA-N 0 0 459.688 4.564 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)nnc1-c1ccccc1 ZINC001462769514 1068161210 /nfs/dbraw/zinc/16/12/10/1068161210.db2.gz PEIFVVCRSAITSX-AUUYWEPGSA-N 0 0 456.509 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)[C@H](OC2CCCC2)c2ccccc2)C1 ZINC001462769142 1068161297 /nfs/dbraw/zinc/16/12/97/1068161297.db2.gz UVKCNLATDDSFFM-UYAOXDASSA-N 0 0 452.542 4.695 20 0 JJADRN Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462770971 1068162554 /nfs/dbraw/zinc/16/25/54/1068162554.db2.gz UZAYRKFMBVZNDZ-SJLPKXTDSA-N 0 0 459.281 4.689 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)C2CCC(C(F)(F)F)CC2)cc1 ZINC001462771407 1068163030 /nfs/dbraw/zinc/16/30/30/1068163030.db2.gz KAFUQFFCOMJYDP-UHFFFAOYSA-N 0 0 457.470 4.777 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001462772666 1068163097 /nfs/dbraw/zinc/16/30/97/1068163097.db2.gz CHGVOVWSOLZFNL-HUUCEWRRSA-N 0 0 453.967 4.531 20 0 JJADRN O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1Cl ZINC001462778035 1068165430 /nfs/dbraw/zinc/16/54/30/1068165430.db2.gz UIHNCSXJBNMLRX-UHFFFAOYSA-N 0 0 455.942 4.869 20 0 JJADRN COC(=O)c1ccc(OS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(Br)c1 ZINC001462778933 1068165838 /nfs/dbraw/zinc/16/58/38/1068165838.db2.gz VDONDOUSMSONOI-UHFFFAOYSA-N 0 0 459.317 4.575 20 0 JJADRN O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1)C1CC1 ZINC001462779063 1068165925 /nfs/dbraw/zinc/16/59/25/1068165925.db2.gz VQMYBMZKGWQNAN-UHFFFAOYSA-N 0 0 456.951 4.959 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1Br ZINC001462781252 1068166429 /nfs/dbraw/zinc/16/64/29/1068166429.db2.gz FQLDBUJMOCESMN-UHFFFAOYSA-N 0 0 459.365 4.803 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)CCOCC1 ZINC001546133882 1068166488 /nfs/dbraw/zinc/16/64/88/1068166488.db2.gz DCLWWPISXFRWCZ-JOCHJYFZSA-N 0 0 497.684 4.634 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CCOCC1 ZINC001546133883 1068166575 /nfs/dbraw/zinc/16/65/75/1068166575.db2.gz DCLWWPISXFRWCZ-QFIPXVFZSA-N 0 0 497.684 4.634 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1F ZINC001462789078 1068167825 /nfs/dbraw/zinc/16/78/25/1068167825.db2.gz ANAZMXSCMRZCPS-GOSISDBHSA-N 0 0 457.907 4.534 20 0 JJADRN Cn1cc([C@H]2[C@@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC(=O)N2C(C)(C)C)cn1 ZINC001462791218 1068168488 /nfs/dbraw/zinc/16/84/88/1068168488.db2.gz AMXCDSWWFKLNCR-CVDCTZTESA-N 0 0 450.514 4.678 20 0 JJADRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)c3ccccc3)c(Cl)cc21 ZINC001462792551 1068168877 /nfs/dbraw/zinc/16/88/77/1068168877.db2.gz JTBDYOCSHOXCMJ-JOCHJYFZSA-N 0 0 454.979 4.511 20 0 JJADRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462794293 1068169587 /nfs/dbraw/zinc/16/95/87/1068169587.db2.gz VBVKLUXSQINCJW-QGZVFWFLSA-N 0 0 457.527 4.550 20 0 JJADRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462794285 1068169630 /nfs/dbraw/zinc/16/96/30/1068169630.db2.gz VBVKLUXSQINCJW-KRWDZBQOSA-N 0 0 457.527 4.550 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)Nc3cccc(Oc4ccccc4F)c3)CC2=O)c(OC)c1 ZINC001462795939 1068170097 /nfs/dbraw/zinc/17/00/97/1068170097.db2.gz WQWDDAKLWOFSEY-MRXNPFEDSA-N 0 0 450.466 4.627 20 0 JJADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3cc(Br)sc3C)cc21 ZINC001462796670 1068170163 /nfs/dbraw/zinc/17/01/63/1068170163.db2.gz MVJKTVLFTHJECG-UHFFFAOYSA-N 0 0 459.339 4.818 20 0 JJADRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c(F)cc1Br ZINC001462798341 1068170680 /nfs/dbraw/zinc/17/06/80/1068170680.db2.gz URSLDTSTIPXNAY-UHFFFAOYSA-N 0 0 456.255 4.616 20 0 JJADRN COc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1 ZINC001462798772 1068171206 /nfs/dbraw/zinc/17/12/06/1068171206.db2.gz VDTPTJZDUBXHBT-UHFFFAOYSA-N 0 0 451.466 4.772 20 0 JJADRN COC[C@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)[C@@H]1CCCOC1 ZINC001462803491 1068171811 /nfs/dbraw/zinc/17/18/11/1068171811.db2.gz GFMFCURIGQYFPV-KNQAVFIVSA-N 0 0 453.970 4.673 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N2CCCc3cc(C(C)C)ccc32)cc1OC ZINC001462804372 1068172183 /nfs/dbraw/zinc/17/21/83/1068172183.db2.gz HAFSMIXHHSGDIV-UHFFFAOYSA-N 0 0 454.386 4.731 20 0 JJADRN Cc1cc(F)ccc1C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001462807878 1068172864 /nfs/dbraw/zinc/17/28/64/1068172864.db2.gz PBDJUAAUNUFTID-UHFFFAOYSA-N 0 0 457.299 4.827 20 0 JJADRN CC(C)c1ccc2c(c1)CCCN2S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001462809503 1068172885 /nfs/dbraw/zinc/17/28/85/1068172885.db2.gz PJYUXKGYAVBPJS-OAQYLSRUSA-N 0 0 456.608 4.551 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1Br)N(Cc1cccs1)C1CC1 ZINC001462810858 1068173333 /nfs/dbraw/zinc/17/33/33/1068173333.db2.gz XNPPXUFNHISEJC-UHFFFAOYSA-N 0 0 456.305 4.763 20 0 JJADRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1OCC ZINC001462811587 1068173350 /nfs/dbraw/zinc/17/33/50/1068173350.db2.gz CQRQRXKPAVXYSK-INIZCTEOSA-N 0 0 456.564 4.635 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)cc2)cc1 ZINC001462812497 1068173971 /nfs/dbraw/zinc/17/39/71/1068173971.db2.gz CUJWKZDHINIRNN-UKILVPOCSA-N 0 0 464.468 4.662 20 0 JJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001462812963 1068174018 /nfs/dbraw/zinc/17/40/18/1068174018.db2.gz CZPGSFQONBKKIQ-FQEVSTJZSA-N 0 0 453.391 4.664 20 0 JJADRN O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cc(Br)ccc1Br ZINC001462812945 1068174021 /nfs/dbraw/zinc/17/40/21/1068174021.db2.gz GGESRCHCYLCSKK-MRXNPFEDSA-N 0 0 452.146 4.805 20 0 JJADRN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc(Br)cnc1F ZINC001462812697 1068174035 /nfs/dbraw/zinc/17/40/35/1068174035.db2.gz GOVKUNGTBJVPKI-UHFFFAOYSA-N 0 0 454.708 4.716 20 0 JJADRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)cc1 ZINC001462813038 1068174047 /nfs/dbraw/zinc/17/40/47/1068174047.db2.gz ARYAZXISAXCTSF-AWEZNQCLSA-N 0 0 459.486 4.592 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 ZINC001462814473 1068174400 /nfs/dbraw/zinc/17/44/00/1068174400.db2.gz NNJXCZMZCDHNCF-UHFFFAOYSA-N 0 0 458.805 4.781 20 0 JJADRN CCOc1cc(C(=O)OC)ccc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001462816048 1068175048 /nfs/dbraw/zinc/17/50/48/1068175048.db2.gz FDPKAKAPLXYNBI-LJQANCHMSA-N 0 0 456.539 4.857 20 0 JJADRN COc1ccc2cc(C(=O)N3CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C3)sc2c1 ZINC001462822377 1068176827 /nfs/dbraw/zinc/17/68/27/1068176827.db2.gz GKMZDMUOOWMBLU-GJZGRUSLSA-N 0 0 458.502 4.828 20 0 JJADRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1Br ZINC001462823015 1068177468 /nfs/dbraw/zinc/17/74/68/1068177468.db2.gz CCIGWLLIXJUZDE-LLVKDONJSA-N 0 0 452.292 4.824 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC[C@@H]1C(F)(F)F ZINC001462825264 1068178342 /nfs/dbraw/zinc/17/83/42/1068178342.db2.gz OGKORGHGQMHFTC-MDMSPXHWSA-N 0 0 458.908 4.530 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1Br ZINC001462827706 1068179576 /nfs/dbraw/zinc/17/95/76/1068179576.db2.gz PZOIKHGFGKQEOD-NSHDSACASA-N 0 0 452.292 4.602 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546134403 1068181996 /nfs/dbraw/zinc/18/19/96/1068181996.db2.gz WDPKGRBINLWKPE-FQEVSTJZSA-N 0 0 499.656 4.988 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cc4c(cc3Cl)CCC4=O)cn2)c1 ZINC001462831535 1068182050 /nfs/dbraw/zinc/18/20/50/1068182050.db2.gz MDKQFWKYAOUGIN-UHFFFAOYSA-N 0 0 456.951 4.752 20 0 JJADRN O=S(=O)(NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1ccco1 ZINC001462836060 1068184666 /nfs/dbraw/zinc/18/46/66/1068184666.db2.gz HRSMILOLOCOKRP-KRWDZBQOSA-N 0 0 457.404 4.726 20 0 JJADRN CC(C)c1c(C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001462840265 1068186361 /nfs/dbraw/zinc/18/63/61/1068186361.db2.gz KUGNWWBCTVRQCK-NRFANRHFSA-N 0 0 450.505 4.879 20 0 JJADRN CNc1nc(C)cc(C(=O)N(C)Cc2ccccc2Oc2ccc(Br)cc2F)n1 ZINC001462843761 1068187353 /nfs/dbraw/zinc/18/73/53/1068187353.db2.gz IQUFLGSPTGVBGP-UHFFFAOYSA-N 0 0 459.319 4.793 20 0 JJADRN COC(=O)[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)C1 ZINC001462844429 1068187380 /nfs/dbraw/zinc/18/73/80/1068187380.db2.gz MHILIIJZLKYJRX-HIFRSBDPSA-N 0 0 450.366 4.520 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCN1c2ccccc2CC[C@H]1C ZINC001462846623 1068188748 /nfs/dbraw/zinc/18/87/48/1068188748.db2.gz HMQKIOVBVNMNGV-CQSZACIVSA-N 0 0 457.821 4.531 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2cccc(Sc3ccccc3)c2)cc(OC)c1OC ZINC001462849033 1068189281 /nfs/dbraw/zinc/18/92/81/1068189281.db2.gz XVDYUCXGKNFFCC-INIZCTEOSA-N 0 0 459.589 4.903 20 0 JJADRN CC1CCN(c2ccc(CNS(=O)(=O)c3cccc(Sc4ccccc4)c3)cn2)CC1 ZINC001462850616 1068189977 /nfs/dbraw/zinc/18/99/77/1068189977.db2.gz DIUBSFIUCMGBTL-UHFFFAOYSA-N 0 0 453.633 4.948 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc1Cl ZINC001462850593 1068190050 /nfs/dbraw/zinc/19/00/50/1068190050.db2.gz CJTIOOLGAMSIIW-UHFFFAOYSA-N 0 0 453.948 4.598 20 0 JJADRN CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CC2)c1 ZINC001462852121 1068190503 /nfs/dbraw/zinc/19/05/03/1068190503.db2.gz IEZLPQOQICNGCB-HNNXBMFYSA-N 0 0 450.988 4.592 20 0 JJADRN CCc1cc(C(=O)OC)ccc1NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462851712 1068190569 /nfs/dbraw/zinc/19/05/69/1068190569.db2.gz SUOSKRUDQMSPTP-AEEMYVKYSA-N 0 0 452.551 4.599 20 0 JJADRN CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1 ZINC001462859430 1068193496 /nfs/dbraw/zinc/19/34/96/1068193496.db2.gz VUBOWBQTVVHKQK-DEOSSOPVSA-N 0 0 457.617 4.523 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cc(F)ccc1OC ZINC001462863873 1068195231 /nfs/dbraw/zinc/19/52/31/1068195231.db2.gz OCHCJTQWRLDNHM-JOCHJYFZSA-N 0 0 456.539 4.541 20 0 JJADRN Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)CCc3ccc(Cl)cc3)c2)c1 ZINC001462867045 1068196793 /nfs/dbraw/zinc/19/67/93/1068196793.db2.gz FZCQUYKBWHVXPC-UHFFFAOYSA-N 0 0 457.983 4.955 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc(C)c1OCc1ccccc1 ZINC001462870005 1068197264 /nfs/dbraw/zinc/19/72/64/1068197264.db2.gz LCJPAZDTJZMBGK-IBGZPJMESA-N 0 0 457.514 4.614 20 0 JJADRN CN(C(=O)C1CC1)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001462873815 1068198319 /nfs/dbraw/zinc/19/83/19/1068198319.db2.gz FDIVLFYUJQONPV-UHFFFAOYSA-N 0 0 457.246 4.973 20 0 JJADRN CCc1c(C(=O)N=[S@@](C)(=O)c2ccccc2Br)cnn1-c1ccc(F)cc1 ZINC001462871768 1068198525 /nfs/dbraw/zinc/19/85/25/1068198525.db2.gz NUZBFYAMRWFKFV-MHZLTWQESA-N 0 0 450.333 4.633 20 0 JJADRN O=S(=O)([C@H]1CCc2ccccc2C1)N(Cc1cccnc1)c1ccc(Br)cc1 ZINC001462877720 1068200210 /nfs/dbraw/zinc/20/02/10/1068200210.db2.gz XLSKXVOGFADLMU-QFIPXVFZSA-N 0 0 457.393 4.738 20 0 JJADRN C[S@](=O)(=NC(=O)c1c(Cl)ccc(I)c1F)c1cccc(F)c1 ZINC001462877620 1068200233 /nfs/dbraw/zinc/20/02/33/1068200233.db2.gz CVAIQIOBPDFCFZ-JOCHJYFZSA-N 0 0 455.651 4.520 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)cc(C)c1OCc1ccccc1 ZINC001462879238 1068200577 /nfs/dbraw/zinc/20/05/77/1068200577.db2.gz OBRYJBYFIAUKQQ-UHFFFAOYSA-N 0 0 450.604 4.783 20 0 JJADRN Cc1c(C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)cnn1-c1cccc(Br)c1 ZINC001462878111 1068200580 /nfs/dbraw/zinc/20/05/80/1068200580.db2.gz GTSKYUGLZBKYQF-UHFFFAOYSA-N 0 0 453.340 4.568 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)N=[S@](C)(=O)c3ccccc3)ccc21 ZINC001462880002 1068201227 /nfs/dbraw/zinc/20/12/27/1068201227.db2.gz NCPFSWNAFNNJRK-JGCGQSQUSA-N 0 0 455.580 4.853 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001462882241 1068202099 /nfs/dbraw/zinc/20/20/99/1068202099.db2.gz TVQUCNSKVPZZMY-PKOBYXMFSA-N 0 0 455.530 4.734 20 0 JJADRN Cc1cccc([C@H]2CCCN2S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 ZINC001462886386 1068203408 /nfs/dbraw/zinc/20/34/08/1068203408.db2.gz JUCVXZVLKGVLLL-BJKOFHAPSA-N 0 0 456.608 4.653 20 0 JJADRN C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462888601 1068204009 /nfs/dbraw/zinc/20/40/09/1068204009.db2.gz UPKZEZQIZBYZKM-SECBINFHSA-N 0 0 457.148 4.641 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCC1)c1ccc2onc(Cl)c2c1 ZINC001462889564 1068204419 /nfs/dbraw/zinc/20/44/19/1068204419.db2.gz VFJIWDRCGKTNPA-UHFFFAOYSA-N 0 0 455.761 4.644 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCC1)N1CCC2(CCCCC2)CC1 ZINC001462890693 1068204955 /nfs/dbraw/zinc/20/49/55/1068204955.db2.gz YGXBJLSYTJQNLC-UHFFFAOYSA-N 0 0 455.462 4.752 20 0 JJADRN CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(CC)c2cc(C)cc(C)c2)c1 ZINC001462890883 1068204962 /nfs/dbraw/zinc/20/49/62/1068204962.db2.gz NSAGGPVJHYQPQS-UHFFFAOYSA-N 0 0 454.386 4.766 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)cc1Br ZINC001462892121 1068205479 /nfs/dbraw/zinc/20/54/79/1068205479.db2.gz DWRTWIFQZPYNMP-CQSZACIVSA-N 0 0 456.402 4.501 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)OCc2ccccc2I)c(Cl)c1 ZINC001462893823 1068205995 /nfs/dbraw/zinc/20/59/95/1068205995.db2.gz GVOOUEPGRVODIG-UHFFFAOYSA-N 0 0 459.667 4.870 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c(F)c(F)c1F ZINC001462894844 1068206497 /nfs/dbraw/zinc/20/64/97/1068206497.db2.gz MTZQPNOCWKSFPM-OAHLLOKOSA-N 0 0 453.392 4.722 20 0 JJADRN CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001462905596 1068210435 /nfs/dbraw/zinc/21/04/35/1068210435.db2.gz FUECECPVYJHFNF-QGZVFWFLSA-N 0 0 458.555 4.970 20 0 JJADRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 ZINC001462904398 1068210537 /nfs/dbraw/zinc/21/05/37/1068210537.db2.gz WMERJYNASKVKOH-UHFFFAOYSA-N 0 0 451.972 4.911 20 0 JJADRN CCCc1c(C(=O)Nc2nc(C(F)(F)F)c(C(=O)OCC)o2)cnn1-c1ccc(C)cc1 ZINC001462906488 1068211146 /nfs/dbraw/zinc/21/11/46/1068211146.db2.gz PVKZAIZVLZDNQK-UHFFFAOYSA-N 0 0 450.417 4.569 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C(F)(F)F)ccc2nc1Cl ZINC001462909697 1068211636 /nfs/dbraw/zinc/21/16/36/1068211636.db2.gz DYNZPMMQHKTMFE-ZDUSSCGKSA-N 0 0 458.889 4.961 20 0 JJADRN COc1ccc(C)cc1C1(CNS(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC001462910630 1068211693 /nfs/dbraw/zinc/21/16/93/1068211693.db2.gz RLEOKXLTBILCCW-UHFFFAOYSA-N 0 0 459.995 4.837 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1Br ZINC001462910762 1068212287 /nfs/dbraw/zinc/21/22/87/1068212287.db2.gz ISUHLGKBNFTLRE-OAHLLOKOSA-N 0 0 458.805 4.897 20 0 JJADRN Cc1cc(S(=O)(=O)NCCCc2cccc(C(F)(F)F)c2)c(F)cc1Br ZINC001462912279 1068212549 /nfs/dbraw/zinc/21/25/49/1068212549.db2.gz NQYTWSVELSLABC-UHFFFAOYSA-N 0 0 454.283 4.827 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2ccc(Cl)nc2Cl)C1 ZINC001462916200 1068213111 /nfs/dbraw/zinc/21/31/11/1068213111.db2.gz FKHGKFHAQGRCCC-GFCCVEGCSA-N 0 0 454.329 4.871 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001462914183 1068213212 /nfs/dbraw/zinc/21/32/12/1068213212.db2.gz ZOHWNHYADNSHQV-QHCPKHFHSA-N 0 0 459.562 4.919 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)c1ccc(N2CCOC2=O)cc1 ZINC001462919612 1068214202 /nfs/dbraw/zinc/21/42/02/1068214202.db2.gz GPRHWLMZZZBAMP-AWEZNQCLSA-N 0 0 459.593 4.590 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)CC2)cc1 ZINC001546135183 1068214238 /nfs/dbraw/zinc/21/42/38/1068214238.db2.gz QEASWJVJLWWONZ-OAQYLSRUSA-N 0 0 454.636 4.653 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(Sc2ccccc2)c1)c1ccc(N2CCOC2=O)cc1 ZINC001462919213 1068214298 /nfs/dbraw/zinc/21/42/98/1068214298.db2.gz CJUHXOXPFYDRMS-QGZVFWFLSA-N 0 0 454.573 4.834 20 0 JJADRN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC001462922092 1068215354 /nfs/dbraw/zinc/21/53/54/1068215354.db2.gz RUIMJZVXKAXSBI-UHFFFAOYSA-N 0 0 454.445 4.992 20 0 JJADRN CSCc1cccnc1C(=O)Nc1ccc(C(F)(F)F)c(I)c1 ZINC001462923495 1068215938 /nfs/dbraw/zinc/21/59/38/1068215938.db2.gz MTIRXBDXFBKHIG-UHFFFAOYSA-N 0 0 452.239 4.820 20 0 JJADRN CCN(Cc1cccc(Br)c1)S(=O)(=O)c1cccc(Br)c1F ZINC001462924411 1068215960 /nfs/dbraw/zinc/21/59/60/1068215960.db2.gz FFXOKGYIPQIAMU-UHFFFAOYSA-N 0 0 451.155 4.562 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC001462923439 1068216010 /nfs/dbraw/zinc/21/60/10/1068216010.db2.gz IUTQOTXKMJLMBE-UHFFFAOYSA-N 0 0 459.567 4.759 20 0 JJADRN CCC[C@@H](NS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Cl)c(Cl)c1 ZINC001462927379 1068217163 /nfs/dbraw/zinc/21/71/63/1068217163.db2.gz NYVZBJISDDOANC-QFBILLFUSA-N 0 0 450.428 4.730 20 0 JJADRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1ccc(OC(F)F)nc1 ZINC001462927442 1068217590 /nfs/dbraw/zinc/21/75/90/1068217590.db2.gz WDKAIRNQNLIQCY-UHFFFAOYSA-N 0 0 458.124 4.559 20 0 JJADRN CC(C)(C)Nc1cc(F)c(S(=O)(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1N ZINC001462928077 1068217715 /nfs/dbraw/zinc/21/77/15/1068217715.db2.gz RZEWQGHFNLGHIV-UHFFFAOYSA-N 0 0 455.599 4.751 20 0 JJADRN CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)CCc1c(F)cccc1F ZINC001462931427 1068219194 /nfs/dbraw/zinc/21/91/94/1068219194.db2.gz HAIWHHCKBQIVLY-UHFFFAOYSA-N 0 0 450.320 4.649 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CC(C)(C)Oc4ccc(C(F)(F)F)cc43)cnc21 ZINC001462932559 1068219822 /nfs/dbraw/zinc/21/98/22/1068219822.db2.gz FBLQSWVXNCTDRX-UHFFFAOYSA-N 0 0 458.362 4.824 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001462932198 1068219845 /nfs/dbraw/zinc/21/98/45/1068219845.db2.gz PSDNJWBDAKBAEP-QGCDCVKKSA-N 0 0 454.533 4.717 20 0 JJADRN C[C@H](COCC1CCCCC1)NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001462932192 1068219907 /nfs/dbraw/zinc/21/99/07/1068219907.db2.gz PSDNJWBDAKBAEP-BUVFEPMLSA-N 0 0 454.533 4.717 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2cccc(N3CCCC3)c2)C1 ZINC001462933779 1068220245 /nfs/dbraw/zinc/22/02/45/1068220245.db2.gz XABGYZNPYPNFDF-GOSISDBHSA-N 0 0 453.558 4.770 20 0 JJADRN CCCN(Cc1ccccc1Br)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC001462933786 1068220376 /nfs/dbraw/zinc/22/03/76/1068220376.db2.gz SOPWFTDDOXKNGG-UHFFFAOYSA-N 0 0 452.292 4.791 20 0 JJADRN COc1ccc([C@@H](Cc2ccccc2C)NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)cc1OC ZINC001462935361 1068220775 /nfs/dbraw/zinc/22/07/75/1068220775.db2.gz KLYNBWNZTDTFRB-NQIIRXRSSA-N 0 0 453.551 4.507 20 0 JJADRN C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001462937919 1068222018 /nfs/dbraw/zinc/22/20/18/1068222018.db2.gz HBRZKUHPYBPYLW-CQSZACIVSA-N 0 0 459.984 4.534 20 0 JJADRN COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)ccc2ncccc21 ZINC001462944506 1068223400 /nfs/dbraw/zinc/22/34/00/1068223400.db2.gz FOSPHHBGJFGDQM-INIZCTEOSA-N 0 0 452.498 4.960 20 0 JJADRN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001462943645 1068223484 /nfs/dbraw/zinc/22/34/84/1068223484.db2.gz HKEHRSDJHYEDAC-KRWDZBQOSA-N 0 0 451.405 4.995 20 0 JJADRN O=S(=O)(C[C@H]1CC[C@@H](C2CC2)O1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462945665 1068224053 /nfs/dbraw/zinc/22/40/53/1068224053.db2.gz BQLCZXLXBXSHAS-NQIIRXRSSA-N 0 0 455.407 4.678 20 0 JJADRN C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)c2cc(F)c(F)cc2O1 ZINC001462949532 1068225576 /nfs/dbraw/zinc/22/55/76/1068225576.db2.gz OYYWFNGZZFPILK-LYQCNASVSA-N 0 0 450.526 4.798 20 0 JJADRN CC(C)c1nnc2n1CCN(C(=O)CCc1cc(C(F)(F)F)ccc1Br)[C@H]2C ZINC001462952233 1068226754 /nfs/dbraw/zinc/22/67/54/1068226754.db2.gz MLPBDASLXSSVLF-LBPRGKRZSA-N 0 0 459.310 4.719 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(OC)c(OC)c1C ZINC001462958894 1068230034 /nfs/dbraw/zinc/23/00/34/1068230034.db2.gz HAURPQAJHWOTEC-UHFFFAOYSA-N 0 0 459.340 4.922 20 0 JJADRN COc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1OC ZINC001462961564 1068230130 /nfs/dbraw/zinc/23/01/30/1068230130.db2.gz QLRXDLXSEXHCIG-UHFFFAOYSA-N 0 0 451.363 4.745 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)NC2CCN(CC(F)(F)F)CC2)cc1C(C)C ZINC001462962043 1068230619 /nfs/dbraw/zinc/23/06/19/1068230619.db2.gz OIKILRWKMQRJIJ-UHFFFAOYSA-N 0 0 450.567 4.684 20 0 JJADRN COC(=O)[C@](C)(NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 ZINC001462964984 1068231515 /nfs/dbraw/zinc/23/15/15/1068231515.db2.gz WSANGPDSIYJQKT-XMMPIXPASA-N 0 0 452.348 4.786 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1C(F)(F)F ZINC001462964838 1068231541 /nfs/dbraw/zinc/23/15/41/1068231541.db2.gz XFOHBBBUPRCQJF-IBGZPJMESA-N 0 0 459.461 4.841 20 0 JJADRN COC(=O)[C@](C)(NC(=O)/C=C/c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462965100 1068231709 /nfs/dbraw/zinc/23/17/09/1068231709.db2.gz OYKLSTVXEVAJPE-GNISGLHKSA-N 0 0 456.258 4.686 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cccc2scnc21)c1ccc(Br)c(Cl)c1 ZINC001462965928 1068232195 /nfs/dbraw/zinc/23/21/95/1068232195.db2.gz RAJWTQHTTVQBMQ-OAHLLOKOSA-N 0 0 453.745 4.746 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1ccc2scnc2c1)c1ccc(Br)c(Cl)c1 ZINC001462966795 1068232352 /nfs/dbraw/zinc/23/23/52/1068232352.db2.gz VYFMYOFUIDKAKG-INIZCTEOSA-N 0 0 453.745 4.746 20 0 JJADRN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC001462968737 1068232602 /nfs/dbraw/zinc/23/26/02/1068232602.db2.gz GLPMLBPLURTJMS-XHDPSFHLSA-N 0 0 452.267 4.750 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001462971611 1068233254 /nfs/dbraw/zinc/23/32/54/1068233254.db2.gz PNLQLYYDEVNBCN-UKRRQHHQSA-N 0 0 454.695 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc21 ZINC001462971823 1068233918 /nfs/dbraw/zinc/23/39/18/1068233918.db2.gz DOLPKWZZYGWDPF-IRXDYDNUSA-N 0 0 458.505 4.735 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1Cl ZINC001462975806 1068235046 /nfs/dbraw/zinc/23/50/46/1068235046.db2.gz NIOYHCZEAOVSGG-OAHLLOKOSA-N 0 0 452.363 4.920 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001462975359 1068235104 /nfs/dbraw/zinc/23/51/04/1068235104.db2.gz KXADIFIJSAFXPH-PPHZAIPVSA-N 0 0 450.579 4.847 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)COC/C=C/c2ccccc2)C1 ZINC001462976565 1068235592 /nfs/dbraw/zinc/23/55/92/1068235592.db2.gz NBAHSLGXNNXGJO-FQTAANOTSA-N 0 0 450.579 4.837 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)COC/C=C/c2ccccc2)C1 ZINC001462976580 1068235757 /nfs/dbraw/zinc/23/57/57/1068235757.db2.gz NBAHSLGXNNXGJO-RUCTVCJSSA-N 0 0 450.579 4.837 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC001462977768 1068236273 /nfs/dbraw/zinc/23/62/73/1068236273.db2.gz FEYYQBOJLONDRE-UHFFFAOYSA-N 0 0 453.486 4.789 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)c2ccnc(Cl)c2)c2ccccc21 ZINC001462977265 1068236281 /nfs/dbraw/zinc/23/62/81/1068236281.db2.gz OAEMZSMTUNZIIB-ZWKOTPCHSA-N 0 0 457.958 4.505 20 0 JJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC001462979073 1068236829 /nfs/dbraw/zinc/23/68/29/1068236829.db2.gz PSYWVAOXVHWFIM-UHFFFAOYSA-N 0 0 453.520 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)CCc2cccs2)c2ccccc21 ZINC001462978610 1068236972 /nfs/dbraw/zinc/23/69/72/1068236972.db2.gz QFESPNQSVZRUGU-OALUTQOASA-N 0 0 456.608 4.837 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)C[C@@H](C)CC(F)(F)F)cc1 ZINC001462978853 1068236990 /nfs/dbraw/zinc/23/69/90/1068236990.db2.gz HWBUNHTZIVKBGM-OXJNMPFZSA-N 0 0 454.514 4.673 20 0 JJADRN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC001462980748 1068237534 /nfs/dbraw/zinc/23/75/34/1068237534.db2.gz GTVBGSANZZNMJG-KRWDZBQOSA-N 0 0 453.442 4.551 20 0 JJADRN CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001462981197 1068237562 /nfs/dbraw/zinc/23/75/62/1068237562.db2.gz HIRUUWZCHBPYNS-JOCHJYFZSA-N 0 0 455.649 4.875 20 0 JJADRN CCOC(=O)N1[C@H](C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CC[C@H]1c1ccc(C)o1 ZINC001462981636 1068238078 /nfs/dbraw/zinc/23/80/78/1068238078.db2.gz YCRANPUIRHSXBW-ROUUACIJSA-N 0 0 453.461 4.974 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3Cl)CC2)c2ccccc12 ZINC001462981472 1068238207 /nfs/dbraw/zinc/23/82/07/1068238207.db2.gz JIYMIAUAHFHFBS-UHFFFAOYSA-N 0 0 457.983 4.717 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)c1F ZINC001462984096 1068239287 /nfs/dbraw/zinc/23/92/87/1068239287.db2.gz NXDJTDWCBLSXRO-OAQYLSRUSA-N 0 0 453.963 4.894 20 0 JJADRN CC(C)Cc1ccc([C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001462984310 1068239375 /nfs/dbraw/zinc/23/93/75/1068239375.db2.gz AGXFKGZCEPSLTH-FCHUYYIVSA-N 0 0 450.645 4.655 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1 ZINC001546135570 1068239437 /nfs/dbraw/zinc/23/94/37/1068239437.db2.gz ZAIHVRXEKXOPKS-UHFFFAOYSA-N 0 0 454.636 4.573 20 0 JJADRN CCOC(=O)Cc1cccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)c1 ZINC001462985105 1068239991 /nfs/dbraw/zinc/23/99/91/1068239991.db2.gz OTRZGCDMFKEOEB-UHFFFAOYSA-N 0 0 450.000 4.626 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)NCC1(c2ccccc2C)CCCCC1 ZINC001462985944 1068240522 /nfs/dbraw/zinc/24/05/22/1068240522.db2.gz SDSSOYAIRGBYNK-UHFFFAOYSA-N 0 0 452.414 4.947 20 0 JJADRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001462986945 1068240561 /nfs/dbraw/zinc/24/05/61/1068240561.db2.gz VVJPSLBFOFWKKA-FQEVSTJZSA-N 0 0 453.391 4.664 20 0 JJADRN CCCc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC001462989239 1068241618 /nfs/dbraw/zinc/24/16/18/1068241618.db2.gz NJSGGTVNCIHWRL-XMMPIXPASA-N 0 0 452.551 4.927 20 0 JJADRN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001462989471 1068241665 /nfs/dbraw/zinc/24/16/65/1068241665.db2.gz XKUSFKLXTFRDER-UHFFFAOYSA-N 0 0 451.242 4.935 20 0 JJADRN COCC[C@H](C)S(=O)(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F ZINC001462993158 1068242664 /nfs/dbraw/zinc/24/26/64/1068242664.db2.gz FVHWFQYZMPHBAB-LBPRGKRZSA-N 0 0 453.429 4.620 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)CCc2cccc(Cl)c2)cc1OC ZINC001462994368 1068243193 /nfs/dbraw/zinc/24/31/93/1068243193.db2.gz YDPWOQJLLPADPO-OAQYLSRUSA-N 0 0 452.016 4.717 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC3([C@@H]4CCCCO4)CC3)cs2)cc1 ZINC001462996384 1068243359 /nfs/dbraw/zinc/24/33/59/1068243359.db2.gz XZJLXJHYINRVTO-IBGZPJMESA-N 0 0 457.596 4.912 20 0 JJADRN Cc1csc(C[C@H]2CCN(C(=O)Cc3ccc(Br)c(Br)c3)C2)n1 ZINC001462998583 1068244521 /nfs/dbraw/zinc/24/45/21/1068244521.db2.gz PBALEEXETKLYHH-CYBMUJFWSA-N 0 0 458.219 4.610 20 0 JJADRN CC(C)(CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccc1Cl ZINC001463006261 1068247533 /nfs/dbraw/zinc/24/75/33/1068247533.db2.gz OWZFETIVUMWHKL-UHFFFAOYSA-N 0 0 456.789 4.733 20 0 JJADRN COC(=O)[C@]1(C(=O)NCc2c(Cl)cc(Br)cc2Cl)C[C@@H]1c1ccccc1 ZINC001463007749 1068247943 /nfs/dbraw/zinc/24/79/43/1068247943.db2.gz FGHRNSCGRMWRDH-AUUYWEPGSA-N 0 0 457.151 4.719 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)NCc2c(Cl)cc(Br)cc2Cl)nn1 ZINC001463007918 1068247966 /nfs/dbraw/zinc/24/79/66/1068247966.db2.gz FKMNZZSUWKMNML-UHFFFAOYSA-N 0 0 454.155 4.829 20 0 JJADRN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463008074 1068248767 /nfs/dbraw/zinc/24/87/67/1068248767.db2.gz FQOFZDYSMGEZMB-UHFFFAOYSA-N 0 0 456.171 4.664 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@H](C)Oc1cccc(Br)c1)CC2 ZINC001463009498 1068249354 /nfs/dbraw/zinc/24/93/54/1068249354.db2.gz HSEKTNLHCJQGPJ-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN Cc1cc(C)c(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc1I ZINC001463010575 1068249922 /nfs/dbraw/zinc/24/99/22/1068249922.db2.gz KRFBSVHFNLJFOE-GFCCVEGCSA-N 0 0 455.723 4.987 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)Cn1c3ccccc3nc1C(F)(F)F)CC2 ZINC001463011903 1068250443 /nfs/dbraw/zinc/25/04/43/1068250443.db2.gz ORADQXICNHTKNL-UHFFFAOYSA-N 0 0 452.274 4.711 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001463010578 1068250499 /nfs/dbraw/zinc/25/04/99/1068250499.db2.gz KRYYPUDELKUBCQ-MRXNPFEDSA-N 0 0 450.204 4.799 20 0 JJADRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC001463011345 1068250512 /nfs/dbraw/zinc/25/05/12/1068250512.db2.gz XUVVELCFAHDIGQ-UHFFFAOYSA-N 0 0 451.588 4.842 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCCc4c(Cl)ccc(F)c43)cc2c1C ZINC001463014286 1068251501 /nfs/dbraw/zinc/25/15/01/1068251501.db2.gz AOTCEZBXWKVHFV-UHFFFAOYSA-N 0 0 451.903 4.852 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)NC2(c3cccc(C)c3)CCCC2)cc1OC ZINC001463014933 1068251530 /nfs/dbraw/zinc/25/15/30/1068251530.db2.gz DLITWCBTGNLWCS-UHFFFAOYSA-N 0 0 454.386 4.523 20 0 JJADRN CC(C)[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)[C@H](C)NC(=O)OC(C)(C)C ZINC001463014969 1068252044 /nfs/dbraw/zinc/25/20/44/1068252044.db2.gz AAGUPJFNHXGKCE-GRDNDAEWSA-N 0 0 450.967 4.753 20 0 JJADRN O=C(NCc1ccc(Br)c(Br)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC001463015481 1068252146 /nfs/dbraw/zinc/25/21/46/1068252146.db2.gz CDPPOPFTMXNLOK-UHFFFAOYSA-N 0 0 454.093 4.535 20 0 JJADRN CCCCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)c1ccccc1 ZINC001463015701 1068252586 /nfs/dbraw/zinc/25/25/86/1068252586.db2.gz KBCQNQVHCPUMDJ-HSZRJFAPSA-N 0 0 456.612 4.691 20 0 JJADRN CN(C)c1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)cn1 ZINC001463017599 1068253251 /nfs/dbraw/zinc/25/32/51/1068253251.db2.gz SRMXTJGGRFITAH-UHFFFAOYSA-N 0 0 457.431 4.550 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463017552 1068253356 /nfs/dbraw/zinc/25/33/56/1068253356.db2.gz GOEXAHHPWQTYDE-PKNBQFBNSA-N 0 0 454.151 4.936 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC(CNC(C)=O)CC2)CCC1 ZINC001546135915 1068255181 /nfs/dbraw/zinc/25/51/81/1068255181.db2.gz JZSVMQYJLAJYRU-UHFFFAOYSA-N 0 0 474.447 4.640 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3cc(C)c(F)cc3s2)ccc1Cl ZINC001463022828 1068255217 /nfs/dbraw/zinc/25/52/17/1068255217.db2.gz MPBPPYFLTUAVAC-UHFFFAOYSA-N 0 0 455.964 4.680 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001546135947 1068256367 /nfs/dbraw/zinc/25/63/67/1068256367.db2.gz KYYYUWPQSDPMPE-KRWDZBQOSA-N 0 0 474.447 4.591 20 0 JJADRN CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC001463030181 1068257489 /nfs/dbraw/zinc/25/74/89/1068257489.db2.gz FWVUBUBVFQDGPR-QFIPXVFZSA-N 0 0 456.995 4.821 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC001463036957 1068259368 /nfs/dbraw/zinc/25/93/68/1068259368.db2.gz CAVKBIHQWFUQMU-LLVKDONJSA-N 0 0 454.283 4.658 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(c2cc(C)ccc2C)C(C)C)c(Br)c1 ZINC001463037701 1068259432 /nfs/dbraw/zinc/25/94/32/1068259432.db2.gz TYJIJHXXQKTYCT-UHFFFAOYSA-N 0 0 454.386 4.846 20 0 JJADRN CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(C)c(OC)cc1C(C)C ZINC001463037289 1068259623 /nfs/dbraw/zinc/25/96/23/1068259623.db2.gz CDZBRRZNOSBURG-SFHVURJKSA-N 0 0 454.633 4.537 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C1CC1)S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463040726 1068260892 /nfs/dbraw/zinc/26/08/92/1068260892.db2.gz JFLWGXIOUJMUBP-HSZRJFAPSA-N 0 0 457.636 4.928 20 0 JJADRN COC(=O)c1ccc2c(c1)CCCCN2C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC001463040518 1068261171 /nfs/dbraw/zinc/26/11/71/1068261171.db2.gz AZKAQJOMAGGQLM-ZDUSSCGKSA-N 0 0 450.304 4.512 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC001463046059 1068263021 /nfs/dbraw/zinc/26/30/21/1068263021.db2.gz FFMYOPOHDOWYLJ-UHFFFAOYSA-N 0 0 456.402 4.706 20 0 JJADRN COC(=O)c1cccc2c1cccc2S(=O)(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC001463045527 1068263086 /nfs/dbraw/zinc/26/30/86/1068263086.db2.gz JPLUVLOXKCDCIC-OAHLLOKOSA-N 0 0 453.516 4.729 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC001463046229 1068263738 /nfs/dbraw/zinc/26/37/38/1068263738.db2.gz DKHPRPLGXAGFJV-KRWDZBQOSA-N 0 0 457.621 4.722 20 0 JJADRN O=C(NCCCc1ccccc1)c1ccccc1OS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC001463046506 1068264315 /nfs/dbraw/zinc/26/43/15/1068264315.db2.gz LGHISWDVJUQQPO-UHFFFAOYSA-N 0 0 459.514 4.896 20 0 JJADRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3Oc3cccc(C)c3)ccc21 ZINC001463047206 1068264446 /nfs/dbraw/zinc/26/44/46/1068264446.db2.gz JDSFFHFBRICXLV-UHFFFAOYSA-N 0 0 450.560 4.565 20 0 JJADRN O=C(N(c1ccccc1)c1ccccc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC001463046448 1068264528 /nfs/dbraw/zinc/26/45/28/1068264528.db2.gz FURNAZHPXRECRK-FQEVSTJZSA-N 0 0 453.539 4.527 20 0 JJADRN CC(C)c1ccc([C@H](CNS(=O)(=O)CC=C(Cl)Cl)NC(=O)OC(C)(C)C)cc1 ZINC001463049346 1068265814 /nfs/dbraw/zinc/26/58/14/1068265814.db2.gz WPXRKFGTFHCVDY-INIZCTEOSA-N 0 0 451.416 4.614 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001463051745 1068266233 /nfs/dbraw/zinc/26/62/33/1068266233.db2.gz XCUFWPHCCJEDCE-IPBJYNAHSA-N 0 0 456.995 4.860 20 0 JJADRN CCCCCC[C@](C)(NS(=O)(=O)c1cc(Br)ccc1Cl)C(=O)OCC ZINC001463052240 1068266266 /nfs/dbraw/zinc/26/62/66/1068266266.db2.gz BOSNJQLOGUCRMB-KRWDZBQOSA-N 0 0 454.814 4.673 20 0 JJADRN CC1(C)C[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CCS1 ZINC001463051739 1068266302 /nfs/dbraw/zinc/26/63/02/1068266302.db2.gz WZAMXCDLANCFET-INIZCTEOSA-N 0 0 456.612 4.956 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(Br)cnc1Cl ZINC001463052836 1068267015 /nfs/dbraw/zinc/26/70/15/1068267015.db2.gz GDEFYPXFECKEQK-OAHLLOKOSA-N 0 0 450.185 4.971 20 0 JJADRN COc1ccccc1SC[C@@H](C)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001463057244 1068268729 /nfs/dbraw/zinc/26/87/29/1068268729.db2.gz OOWVEBIVOTYTLW-LBPRGKRZSA-N 0 0 451.944 4.657 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)C)cc1Br ZINC001463056572 1068268774 /nfs/dbraw/zinc/26/87/74/1068268774.db2.gz VPXGBXBSUBMHNH-UHFFFAOYSA-N 0 0 456.402 4.703 20 0 JJADRN O=S(=O)(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1cc(Cl)cc(Br)c1 ZINC001463057191 1068269153 /nfs/dbraw/zinc/26/91/53/1068269153.db2.gz YXFVLLQZUBLPGG-UHFFFAOYSA-N 0 0 455.717 4.798 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001463057236 1068269254 /nfs/dbraw/zinc/26/92/54/1068269254.db2.gz AJTGSVIRAWIMFJ-KRWDZBQOSA-N 0 0 456.725 4.828 20 0 JJADRN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001463057245 1068269398 /nfs/dbraw/zinc/26/93/98/1068269398.db2.gz AJTGSVIRAWIMFJ-QGZVFWFLSA-N 0 0 456.725 4.828 20 0 JJADRN Cc1c(Br)cncc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001463059787 1068270025 /nfs/dbraw/zinc/27/00/25/1068270025.db2.gz URWKSYNXYXZFCG-INIZCTEOSA-N 0 0 457.155 4.703 20 0 JJADRN COC(=O)c1csc(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c1 ZINC001463060333 1068270387 /nfs/dbraw/zinc/27/03/87/1068270387.db2.gz WIHFPTBGLUDOMG-LJQANCHMSA-N 0 0 453.944 4.704 20 0 JJADRN CCC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccccc3Sc3ccccc3)cc21 ZINC001463060161 1068270432 /nfs/dbraw/zinc/27/04/32/1068270432.db2.gz NVRSOGIVFFYOHK-UHFFFAOYSA-N 0 0 452.601 4.615 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001463060455 1068270637 /nfs/dbraw/zinc/27/06/37/1068270637.db2.gz YQCLECXGNKGTFY-UHFFFAOYSA-N 0 0 452.661 4.869 20 0 JJADRN CC(NS(=O)(=O)c1cc(Br)cc2c1OCC2)(c1ccccc1)c1ccccc1 ZINC001463061719 1068271061 /nfs/dbraw/zinc/27/10/61/1068271061.db2.gz UXAZAIJBTARQTQ-UHFFFAOYSA-N 0 0 458.377 4.626 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463061378 1068271128 /nfs/dbraw/zinc/27/11/28/1068271128.db2.gz CBJBGERNWAVWED-OAHLLOKOSA-N 0 0 459.414 4.704 20 0 JJADRN CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001463062723 1068271534 /nfs/dbraw/zinc/27/15/34/1068271534.db2.gz GUGLNOZHOFLKEJ-UHFFFAOYSA-N 0 0 456.608 4.660 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1C(C)(C)C ZINC001463062228 1068271690 /nfs/dbraw/zinc/27/16/90/1068271690.db2.gz CERGBYWONZLFEI-QGZVFWFLSA-N 0 0 456.649 4.697 20 0 JJADRN Cc1ccc2cccc(S(=O)(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)c2n1 ZINC001463062342 1068271788 /nfs/dbraw/zinc/27/17/88/1068271788.db2.gz YGHLVPHMYDJCOJ-SFHVURJKSA-N 0 0 455.338 4.751 20 0 JJADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC001463063022 1068272226 /nfs/dbraw/zinc/27/22/26/1068272226.db2.gz GLQFVMOJMGEQNN-UHFFFAOYSA-N 0 0 450.560 4.679 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC001463063649 1068272317 /nfs/dbraw/zinc/27/23/17/1068272317.db2.gz RKXKPAONHAZPSS-QHCPKHFHSA-N 0 0 455.558 4.773 20 0 JJADRN CC1CCC(OC2CCN(S(=O)(=O)c3c[nH]c4c3cccc4Br)CC2)CC1 ZINC001463064780 1068272808 /nfs/dbraw/zinc/27/28/08/1068272808.db2.gz MWMOFCRIUDXLRZ-UHFFFAOYSA-N 0 0 455.418 4.679 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC001463066126 1068274113 /nfs/dbraw/zinc/27/41/13/1068274113.db2.gz PJGCCFFAKFACGD-LIRRHRJNSA-N 0 0 450.348 4.966 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(Cl)c1F ZINC001463067243 1068274810 /nfs/dbraw/zinc/27/48/10/1068274810.db2.gz LXQPASOPWPGQOF-UHFFFAOYSA-N 0 0 454.951 4.645 20 0 JJADRN O=S(=O)(c1oc2ccccc2c1Br)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001463068350 1068275325 /nfs/dbraw/zinc/27/53/25/1068275325.db2.gz NRFBABCRMHQFQA-MRXNPFEDSA-N 0 0 456.745 4.611 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)CCc1ccccc1Br ZINC001463070095 1068275979 /nfs/dbraw/zinc/27/59/79/1068275979.db2.gz VSCLMDKMOAJGGM-HTAPYJJXSA-N 0 0 451.405 4.678 20 0 JJADRN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001463069631 1068276203 /nfs/dbraw/zinc/27/62/03/1068276203.db2.gz WXKQIIDULZBMPV-YPAWHYETSA-N 0 0 454.998 4.800 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463072973 1068277419 /nfs/dbraw/zinc/27/74/19/1068277419.db2.gz GSEFNNDSZGSRDI-APWZRJJASA-N 0 0 458.407 4.708 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001463075709 1068278468 /nfs/dbraw/zinc/27/84/68/1068278468.db2.gz PJNNLOQGCJVJDY-CYBMUJFWSA-N 0 0 458.930 4.577 20 0 JJADRN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001463074573 1068278630 /nfs/dbraw/zinc/27/86/30/1068278630.db2.gz VKHDGFFPVLRPEH-KRWDZBQOSA-N 0 0 451.919 4.859 20 0 JJADRN O=S(=O)(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc(Cl)ccc1OCC1CCC1 ZINC001463076683 1068279168 /nfs/dbraw/zinc/27/91/68/1068279168.db2.gz KEUQSHNJGXCQHF-LJQANCHMSA-N 0 0 452.979 4.605 20 0 JJADRN O=S(=O)(c1cccnc1Oc1ccc(F)cc1)N(Cc1ccccc1)CC1CCOCC1 ZINC001463078644 1068280156 /nfs/dbraw/zinc/28/01/56/1068280156.db2.gz RLDRDQRGOPDTHE-UHFFFAOYSA-N 0 0 456.539 4.631 20 0 JJADRN CC(C)c1c(C(=O)Nc2ccc([C@@H](C)CC(N)=O)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001463081793 1068281323 /nfs/dbraw/zinc/28/13/23/1068281323.db2.gz CFWOZYAWNBYASP-AWEZNQCLSA-N 0 0 459.472 4.641 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(F)cc3Br)cc2)cc1 ZINC001463086437 1068281976 /nfs/dbraw/zinc/28/19/76/1068281976.db2.gz DCMSTXHQYRSLAO-UHFFFAOYSA-N 0 0 450.329 4.742 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)c1ccccc1Cl ZINC001463091767 1068283428 /nfs/dbraw/zinc/28/34/28/1068283428.db2.gz QBGQQPKYKCDXLK-IBGZPJMESA-N 0 0 457.061 4.782 20 0 JJADRN COc1cc(C(=O)NC[C@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC001463091811 1068284082 /nfs/dbraw/zinc/28/40/82/1068284082.db2.gz LJDYTGJJLGCSSZ-NSHDSACASA-N 0 0 457.162 4.762 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NCC(C)(C)C3CCOCC3)cc2Br)no1 ZINC001463092113 1068284198 /nfs/dbraw/zinc/28/41/98/1068284198.db2.gz VZDWGYLCRDEGJF-UHFFFAOYSA-N 0 0 451.361 4.507 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c(Cl)c1Cl ZINC001463092574 1068284231 /nfs/dbraw/zinc/28/42/31/1068284231.db2.gz FMUFUKHKJZFFON-KRWDZBQOSA-N 0 0 451.375 4.968 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001463095026 1068284982 /nfs/dbraw/zinc/28/49/82/1068284982.db2.gz QQTOSXOJCHSNIS-HOIFWPIMSA-N 0 0 457.412 4.668 20 0 JJADRN CC(C)CC[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100920 1068287443 /nfs/dbraw/zinc/28/74/43/1068287443.db2.gz YCFQVPDWPRAKAP-VOIUYBSRSA-N 0 0 453.468 4.591 20 0 JJADRN CC(C)CC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)(C)C ZINC001463100898 1068287519 /nfs/dbraw/zinc/28/75/19/1068287519.db2.gz YCFQVPDWPRAKAP-GYCJOSAFSA-N 0 0 453.468 4.591 20 0 JJADRN Cc1ccc([S@](C)(=O)=NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001463100891 1068287601 /nfs/dbraw/zinc/28/76/01/1068287601.db2.gz PBEPRICDDYPTOY-PMERELPUSA-N 0 0 457.573 4.677 20 0 JJADRN O=S(=O)(NCCCO[C@H]1CCCc2ccccc21)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001463104848 1068289354 /nfs/dbraw/zinc/28/93/54/1068289354.db2.gz HITWPFJTOUSJPA-NRFANRHFSA-N 0 0 451.947 4.616 20 0 JJADRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001463105502 1068289478 /nfs/dbraw/zinc/28/94/78/1068289478.db2.gz SOTYXQGCGRPFCJ-HXUWFJFHSA-N 0 0 453.995 4.730 20 0 JJADRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001463107860 1068290191 /nfs/dbraw/zinc/29/01/91/1068290191.db2.gz MRIWFVLULIJLSP-LJQANCHMSA-N 0 0 458.331 4.703 20 0 JJADRN C[C@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)c1nc2ccccc2s1 ZINC001463111916 1068291203 /nfs/dbraw/zinc/29/12/03/1068291203.db2.gz SBBJEQHXNRSYAF-LRDDRELGSA-N 0 0 451.411 4.597 20 0 JJADRN Cc1cccnc1[C@@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC001463112363 1068291230 /nfs/dbraw/zinc/29/12/30/1068291230.db2.gz XOVDANOXGUFREY-HNNXBMFYSA-N 0 0 451.308 4.847 20 0 JJADRN CC[S@@](=O)(=NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1cccc(Cl)c1 ZINC001463115360 1068292070 /nfs/dbraw/zinc/29/20/70/1068292070.db2.gz QAVQRFKMMWECIY-VWLOTQADSA-N 0 0 458.687 4.542 20 0 JJADRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)[C@@H](C)CO1 ZINC001463115916 1068292094 /nfs/dbraw/zinc/29/20/94/1068292094.db2.gz IRIBJIJSDVHYGE-KBXCAEBGSA-N 0 0 450.354 4.654 20 0 JJADRN O=C(Nc1cccc(OS(=O)(=O)c2ccc(Br)cc2F)c1)c1cccs1 ZINC001463115898 1068292191 /nfs/dbraw/zinc/29/21/91/1068292191.db2.gz IOQGBLMYQKWIOQ-UHFFFAOYSA-N 0 0 456.314 4.670 20 0 JJADRN C[C@@H](C(=O)N1CCC[C@H]1COc1ccc(Br)cc1)[C@H]1OCCc2sccc21 ZINC001463120108 1068293679 /nfs/dbraw/zinc/29/36/79/1068293679.db2.gz HWVIAFIHTQMDSH-PTSWNOGYSA-N 0 0 450.398 4.831 20 0 JJADRN Cc1noc(C)c1CN(Cc1c(C)noc1C)S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC001463117733 1068293799 /nfs/dbraw/zinc/29/37/99/1068293799.db2.gz MZCZMRQBSLZQNL-UHFFFAOYSA-N 0 0 451.548 4.954 20 0 JJADRN Cc1ccc(C[C@H](C)NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)s1 ZINC001463121096 1068294374 /nfs/dbraw/zinc/29/43/74/1068294374.db2.gz DSVGAZSGUIOLPA-NSHDSACASA-N 0 0 457.440 4.852 20 0 JJADRN CC(C)C[C@H]1CCCCCN1S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001463122864 1068295066 /nfs/dbraw/zinc/29/50/66/1068295066.db2.gz CTXBGWHGZGISKA-PKTZIBPZSA-N 0 0 450.645 4.798 20 0 JJADRN C[C@@H](OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC001463123288 1068295641 /nfs/dbraw/zinc/29/56/41/1068295641.db2.gz UAGYSCCNONNKMH-QRWLVFNGSA-N 0 0 451.441 4.863 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(I)cc2)cc1C ZINC001463128758 1068296650 /nfs/dbraw/zinc/29/66/50/1068296650.db2.gz ISSJLBZJRAMUCY-OAHLLOKOSA-N 0 0 453.320 4.645 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC001463129020 1068297226 /nfs/dbraw/zinc/29/72/26/1068297226.db2.gz TYPMHRMZDUVJFW-UHFFFAOYSA-N 0 0 455.967 4.592 20 0 JJADRN O=S(=O)(NCC1(c2cccs2)CCCCC1)c1cc(Br)c(F)cc1F ZINC001463132650 1068297864 /nfs/dbraw/zinc/29/78/64/1068297864.db2.gz HENMLLQZFXFLJA-UHFFFAOYSA-N 0 0 450.370 4.969 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463135841 1068298851 /nfs/dbraw/zinc/29/88/51/1068298851.db2.gz QEHMASARZNEHJM-ZDUSSCGKSA-N 0 0 450.848 4.753 20 0 JJADRN O=C(OCc1cccc(SC(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001463137802 1068299459 /nfs/dbraw/zinc/29/94/59/1068299459.db2.gz VHXCQNSQBNUKFL-UHFFFAOYSA-N 0 0 459.511 4.830 20 0 JJADRN Cc1nnc(COCC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)s1 ZINC001463136689 1068299514 /nfs/dbraw/zinc/29/95/14/1068299514.db2.gz YGUQGYSWQQLHAB-UHFFFAOYSA-N 0 0 454.390 4.723 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC001463137264 1068299601 /nfs/dbraw/zinc/29/96/01/1068299601.db2.gz GFFNRUFCQOAWDR-FQEVSTJZSA-N 0 0 452.016 4.828 20 0 JJADRN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463139798 1068300403 /nfs/dbraw/zinc/30/04/03/1068300403.db2.gz ZWTQAZINPVXVEP-SECBINFHSA-N 0 0 454.663 4.851 20 0 JJADRN CCc1ccc(CN2CCN(S(=O)(=O)c3cccc(Sc4ccccc4)c3)CC2)s1 ZINC001463140399 1068300877 /nfs/dbraw/zinc/30/08/77/1068300877.db2.gz XZEIKTAXWUUTRZ-UHFFFAOYSA-N 0 0 458.674 4.968 20 0 JJADRN C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)C1 ZINC001463142375 1068301010 /nfs/dbraw/zinc/30/10/10/1068301010.db2.gz LBSBECCDCKDBDB-BSIFCXSSSA-N 0 0 455.380 4.810 20 0 JJADRN C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)C1 ZINC001463142380 1068301331 /nfs/dbraw/zinc/30/13/31/1068301331.db2.gz LBSBECCDCKDBDB-PBEJRMEISA-N 0 0 455.380 4.810 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1 ZINC001463144194 1068301808 /nfs/dbraw/zinc/30/18/08/1068301808.db2.gz OFFALKAXOHNMKU-IBGZPJMESA-N 0 0 455.064 4.894 20 0 JJADRN O=S(=O)(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC001463146475 1068301901 /nfs/dbraw/zinc/30/19/01/1068301901.db2.gz IAWUUZMIWOUBDD-OAQYLSRUSA-N 0 0 452.359 4.584 20 0 JJADRN COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)C1 ZINC001463147684 1068302710 /nfs/dbraw/zinc/30/27/10/1068302710.db2.gz XYDRUGFMTZXKFO-DPSWKAHMSA-N 0 0 464.027 4.635 20 0 JJADRN CC(C)CNC(=O)C1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC001463148359 1068303085 /nfs/dbraw/zinc/30/30/85/1068303085.db2.gz HPOCYQNPOPJKQW-UHFFFAOYSA-N 0 0 454.514 4.938 20 0 JJADRN Cc1cc(Cl)nc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)c1 ZINC001463153349 1068305533 /nfs/dbraw/zinc/30/55/33/1068305533.db2.gz WCOINMZKZRPYCJ-IBGZPJMESA-N 0 0 454.739 4.885 20 0 JJADRN O=C(Nc1c(F)ccc(Br)c1F)c1cc2ccc(Br)cc2c(=O)o1 ZINC001463154395 1068305636 /nfs/dbraw/zinc/30/56/36/1068305636.db2.gz BDHWBSVEZACFPK-UHFFFAOYSA-N 0 0 459.040 4.849 20 0 JJADRN Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(=O)OC(C)(C)C)c1 ZINC001463153777 1068305657 /nfs/dbraw/zinc/30/56/57/1068305657.db2.gz YPIMETLEHRAUMC-CUVVAGTFSA-N 0 0 458.599 4.531 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2c(F)ccc(Br)c2F)CC1 ZINC001463154400 1068305799 /nfs/dbraw/zinc/30/57/99/1068305799.db2.gz BHZCKBXGQMQQNL-UHFFFAOYSA-N 0 0 451.311 4.537 20 0 JJADRN CCCCCn1nc(C(=O)Nc2c(F)ccc(Br)c2F)c2ccccc2c1=O ZINC001463156081 1068306125 /nfs/dbraw/zinc/30/61/25/1068306125.db2.gz IWFGNUMKZFSLIP-UHFFFAOYSA-N 0 0 450.283 4.880 20 0 JJADRN O=C(Nc1c(F)ccc(Br)c1F)c1cnn(-c2cccc(Br)c2)c1 ZINC001463156829 1068306343 /nfs/dbraw/zinc/30/63/43/1068306343.db2.gz KFBFZEIHWSSTJK-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN O=C(Nc1c(F)ccc(Br)c1F)c1ccc(F)cc1I ZINC001463158156 1068306582 /nfs/dbraw/zinc/30/65/82/1068306582.db2.gz PNZINMSZLXLSKH-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001463158027 1068306815 /nfs/dbraw/zinc/30/68/15/1068306815.db2.gz BBNOUJNKSPCIDZ-GOSISDBHSA-N 0 0 451.869 4.632 20 0 JJADRN CCC1(Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC001546137052 1068307533 /nfs/dbraw/zinc/30/75/33/1068307533.db2.gz DDEDHRJSXCKXTA-SFHVURJKSA-N 0 0 453.612 4.521 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)cc1 ZINC001463164498 1068307703 /nfs/dbraw/zinc/30/77/03/1068307703.db2.gz DLZMMOQYKUGIDV-JOCHJYFZSA-N 0 0 459.951 4.512 20 0 JJADRN C[C@@H]1Cc2cc(S(=O)(=O)NCC(C)(C)Sc3ccc(Br)cc3)ccc2O1 ZINC001463165885 1068308068 /nfs/dbraw/zinc/30/80/68/1068308068.db2.gz ISXKIRCDNGDVNG-CYBMUJFWSA-N 0 0 456.427 4.622 20 0 JJADRN CCOC(=O)c1ccccc1S(=O)(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC001463166328 1068308369 /nfs/dbraw/zinc/30/83/69/1068308369.db2.gz IOMZBLGUCTUITB-QFIPXVFZSA-N 0 0 459.951 4.593 20 0 JJADRN COc1cc(F)c(S(=O)(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)c(F)c1 ZINC001463165919 1068308404 /nfs/dbraw/zinc/30/84/04/1068308404.db2.gz FWOXQLSIJNZWKJ-HXUWFJFHSA-N 0 0 453.894 4.703 20 0 JJADRN CC(C)c1c(C(=O)NCC(=O)N2CCCCc3ccccc32)cnn1-c1ccccc1Cl ZINC001463170513 1068308906 /nfs/dbraw/zinc/30/89/06/1068308906.db2.gz PEOAYDSYQHMASP-UHFFFAOYSA-N 0 0 450.970 4.748 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl ZINC001463170262 1068308920 /nfs/dbraw/zinc/30/89/20/1068308920.db2.gz SNDRWIRLEXMNFO-IBGZPJMESA-N 0 0 456.873 4.830 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001463172661 1068309347 /nfs/dbraw/zinc/30/93/47/1068309347.db2.gz JXKWZCYTTSAJQR-WOJBJXKFSA-N 0 0 452.389 4.876 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2)CCCC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463178400 1068310090 /nfs/dbraw/zinc/31/00/90/1068310090.db2.gz SCYIVQSZJVQHBY-QZTJIDSGSA-N 0 0 455.462 4.607 20 0 JJADRN CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001463181155 1068311374 /nfs/dbraw/zinc/31/13/74/1068311374.db2.gz JTHSVYXPIWPUCS-SFHVURJKSA-N 0 0 458.393 4.923 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546137130 1068311476 /nfs/dbraw/zinc/31/14/76/1068311476.db2.gz GOALTFZDIHWEHF-GOSISDBHSA-N 0 0 456.635 4.603 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC001463181962 1068311908 /nfs/dbraw/zinc/31/19/08/1068311908.db2.gz KCJTUTASFCIUPL-UHFFFAOYSA-N 0 0 452.361 4.565 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CCC1 ZINC001546137163 1068312005 /nfs/dbraw/zinc/31/20/05/1068312005.db2.gz HXYMNPMLKGNBGN-LJQANCHMSA-N 0 0 456.635 4.700 20 0 JJADRN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 ZINC001463182603 1068312199 /nfs/dbraw/zinc/31/21/99/1068312199.db2.gz BMSCQJDYXQBFOD-HXUWFJFHSA-N 0 0 454.548 4.777 20 0 JJADRN CC(C)(C)Oc1ccc(CNS(=O)(=O)CCc2noc3ccccc23)c(C(F)(F)F)c1 ZINC001463182817 1068312474 /nfs/dbraw/zinc/31/24/74/1068312474.db2.gz BWXKTOWKZBITDJ-UHFFFAOYSA-N 0 0 456.486 4.686 20 0 JJADRN C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)C1 ZINC001463187723 1068314013 /nfs/dbraw/zinc/31/40/13/1068314013.db2.gz RAPHDQXANUWUIQ-ORAYPTAESA-N 0 0 451.361 4.852 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2cccc(C)c2C)cnc1C(F)F ZINC001463190470 1068314987 /nfs/dbraw/zinc/31/49/87/1068314987.db2.gz ZLXZQJZLHXARDM-LJQANCHMSA-N 0 0 452.523 4.729 20 0 JJADRN COCCOc1ccc(NC(=O)c2cccc(F)c2OC(F)(F)F)cc1Br ZINC001463192314 1068315548 /nfs/dbraw/zinc/31/55/48/1068315548.db2.gz UPZVBCUKNQSGPZ-UHFFFAOYSA-N 0 0 452.198 4.764 20 0 JJADRN COCCOc1ccc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1Br ZINC001463191979 1068315668 /nfs/dbraw/zinc/31/56/68/1068315668.db2.gz SQFNCDODEPPHQG-UHFFFAOYSA-N 0 0 458.356 4.838 20 0 JJADRN O=S(=O)(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001463191349 1068315682 /nfs/dbraw/zinc/31/56/82/1068315682.db2.gz CLRCNKUWOVDNDC-SFTDATJTSA-N 0 0 455.498 4.875 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)o1 ZINC001463194164 1068315914 /nfs/dbraw/zinc/31/59/14/1068315914.db2.gz HHKFGQOSJXLJKZ-UGSOOPFHSA-N 0 0 454.976 4.624 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)s1 ZINC001463195995 1068316543 /nfs/dbraw/zinc/31/65/43/1068316543.db2.gz BULVFYUAYOPLKY-ACJLOTCBSA-N 0 0 451.386 4.516 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC001463194317 1068316683 /nfs/dbraw/zinc/31/66/83/1068316683.db2.gz NBXRJBFJTRVLGQ-ZIAGYGMSSA-N 0 0 451.386 4.500 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2c(C)cc(C)c(Br)c2C)C1 ZINC001463197853 1068316986 /nfs/dbraw/zinc/31/69/86/1068316986.db2.gz PWDOQMVWXZHPCZ-QGZVFWFLSA-N 0 0 459.384 4.874 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c(C)c1 ZINC001463200045 1068318231 /nfs/dbraw/zinc/31/82/31/1068318231.db2.gz YWNNSJAXQJXVFL-UHFFFAOYSA-N 0 0 459.564 4.908 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccc(CC)o2)c(F)cc1Cl ZINC001463203886 1068319118 /nfs/dbraw/zinc/31/91/18/1068319118.db2.gz XGGKPMCHZCTWCB-UGSOOPFHSA-N 0 0 457.951 4.973 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)S(=O)(=O)Cc2ccc(C)c(C)c2)cc1OC ZINC001463205410 1068319806 /nfs/dbraw/zinc/31/98/06/1068319806.db2.gz JUPGDKRLHHDYIC-UHFFFAOYSA-N 0 0 459.633 4.957 20 0 JJADRN COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001463205847 1068319844 /nfs/dbraw/zinc/31/98/44/1068319844.db2.gz YNKJNNCBVNMKLX-SPLOXXLWSA-N 0 0 456.951 4.504 20 0 JJADRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(Cl)cc2C)C12CCCCC2 ZINC001463207567 1068320276 /nfs/dbraw/zinc/32/02/76/1068320276.db2.gz MXMVGMCPXKMCGJ-DLBZAZTESA-N 0 0 450.826 4.817 20 0 JJADRN O=S(=O)(CC1Cc2ccccc2C1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001463207602 1068320775 /nfs/dbraw/zinc/32/07/75/1068320775.db2.gz JYNUAIPPHKMWSV-UHFFFAOYSA-N 0 0 452.523 4.663 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)C[C@H](Cc2ccccc2)OC)cc1 ZINC001463212211 1068321727 /nfs/dbraw/zinc/32/17/27/1068321727.db2.gz DFRTWLSQCNUWQQ-YKSBVNFPSA-N 0 0 453.604 4.943 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC001463212714 1068322022 /nfs/dbraw/zinc/32/20/22/1068322022.db2.gz YQWNIGVIIDYVPD-UHFFFAOYSA-N 0 0 451.997 4.852 20 0 JJADRN Cc1cccc(Oc2cc(CNS(=O)(=O)c3cc4c(cc3Cl)CCC4=O)ccn2)c1C ZINC001463213827 1068322530 /nfs/dbraw/zinc/32/25/30/1068322530.db2.gz CIVPRMVYZQJAFE-UHFFFAOYSA-N 0 0 456.951 4.752 20 0 JJADRN CCCN([C@H]1C[C@@H](OCC)C12CCCCC2)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001463214960 1068322862 /nfs/dbraw/zinc/32/28/62/1068322862.db2.gz BIBVFXNTRNUTEM-LEWJYISDSA-N 0 0 457.036 4.827 20 0 JJADRN CO[C@H](CNS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1cccc(Cl)c1 ZINC001463216077 1068323096 /nfs/dbraw/zinc/32/30/96/1068323096.db2.gz DBMHAHGUTRHOKE-OAHLLOKOSA-N 0 0 453.185 4.730 20 0 JJADRN CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC001463217893 1068323276 /nfs/dbraw/zinc/32/32/76/1068323276.db2.gz GIRCJCIXEGGLPL-BXKDBHETSA-N 0 0 451.770 4.539 20 0 JJADRN O=S(=O)(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Cl)cc1Br ZINC001463219359 1068323808 /nfs/dbraw/zinc/32/38/08/1068323808.db2.gz MNKSAVNBRQFQHD-LLVKDONJSA-N 0 0 457.560 4.821 20 0 JJADRN O=C(Oc1c(Br)ccc2ccccc21)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001463219991 1068324195 /nfs/dbraw/zinc/32/41/95/1068324195.db2.gz BNJITSULAXOPRX-KRWDZBQOSA-N 0 0 456.311 4.738 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001463223004 1068325087 /nfs/dbraw/zinc/32/50/87/1068325087.db2.gz OSVBBOYCJPRDTP-AKFKNWHVSA-N 0 0 450.648 4.884 20 0 JJADRN COCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1C ZINC001463223143 1068325242 /nfs/dbraw/zinc/32/52/42/1068325242.db2.gz WBCVSQNFTCPMLU-LJQANCHMSA-N 0 0 455.576 4.735 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1 ZINC001463227293 1068327632 /nfs/dbraw/zinc/32/76/32/1068327632.db2.gz HZJOMZSTTWTKIH-QHCPKHFHSA-N 0 0 457.596 4.562 20 0 JJADRN COc1cc([C@@H](C)NC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)cc2ccccc21 ZINC001463232973 1068330014 /nfs/dbraw/zinc/33/00/14/1068330014.db2.gz IYPXECUXZQHAQE-ODOSVJCGSA-N 0 0 450.510 4.775 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1OCC ZINC001463233841 1068330076 /nfs/dbraw/zinc/33/00/76/1068330076.db2.gz WNJILABLPYALQS-UHFFFAOYSA-N 0 0 450.516 4.862 20 0 JJADRN CSc1ccccc1S(=O)(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC001463236302 1068330425 /nfs/dbraw/zinc/33/04/25/1068330425.db2.gz IDUYHWUNRIWQHV-LJQANCHMSA-N 0 0 455.527 4.793 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546137420 1068330754 /nfs/dbraw/zinc/33/07/54/1068330754.db2.gz RGHLHUWJNCMQMW-OALUTQOASA-N 0 0 456.635 4.603 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546137421 1068330895 /nfs/dbraw/zinc/33/08/95/1068330895.db2.gz RGHLHUWJNCMQMW-RBUKOAKNSA-N 0 0 456.635 4.603 20 0 JJADRN Cc1c[nH]c(=O)c(CNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)c1 ZINC001463237806 1068331512 /nfs/dbraw/zinc/33/15/12/1068331512.db2.gz YTNRUNVARYMJON-QGZVFWFLSA-N 0 0 454.354 4.627 20 0 JJADRN COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001463239119 1068331557 /nfs/dbraw/zinc/33/15/57/1068331557.db2.gz NVHYOIOEBQEPBQ-AOMKIAJQSA-N 0 0 459.951 4.961 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NC3(C)C(C)(C)C3(C)C)c2)cc1 ZINC001463238971 1068331614 /nfs/dbraw/zinc/33/16/14/1068331614.db2.gz ULSRZAFWKKYARV-UHFFFAOYSA-N 0 0 458.624 4.773 20 0 JJADRN Cc1cnc(Cl)c(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c1 ZINC001463242660 1068332245 /nfs/dbraw/zinc/33/22/45/1068332245.db2.gz XJQNTTZZLCIBDE-KRWDZBQOSA-N 0 0 455.967 4.564 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)NC(C)(C)CSC)n2-c2ccc(C)cc2)cc1 ZINC001463242600 1068332303 /nfs/dbraw/zinc/33/23/03/1068332303.db2.gz JSYYHPDXBONSBV-UHFFFAOYSA-N 0 0 456.637 4.601 20 0 JJADRN Cc1ccc(S(=O)(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)c(F)c1F ZINC001463241712 1068332335 /nfs/dbraw/zinc/33/23/35/1068332335.db2.gz SVLYYEQOYKTOJQ-KRWDZBQOSA-N 0 0 456.514 4.794 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2nn(C)c(C(F)(F)F)c2Br)cc2ccccc21 ZINC001463241309 1068332417 /nfs/dbraw/zinc/33/24/17/1068332417.db2.gz YVYQSJTZSLWJEM-SNVBAGLBSA-N 0 0 456.262 4.854 20 0 JJADRN CN1C(=O)CN(C(=O)c2cnc(-c3c(F)cccc3F)s2)c2ccc(C(F)(F)F)cc21 ZINC001463243216 1068332714 /nfs/dbraw/zinc/33/27/14/1068332714.db2.gz WCDOGMTYPMMWHE-UHFFFAOYSA-N 0 0 453.392 4.730 20 0 JJADRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1OC(F)F ZINC001463245296 1068333177 /nfs/dbraw/zinc/33/31/77/1068333177.db2.gz CVQAILKFFMOIPX-HXUWFJFHSA-N 0 0 454.445 4.761 20 0 JJADRN COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC001463246171 1068333419 /nfs/dbraw/zinc/33/34/19/1068333419.db2.gz BYDOXIJXZFHRFL-HXUWFJFHSA-N 0 0 451.560 4.713 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c(F)cc1Cl ZINC001463247266 1068333999 /nfs/dbraw/zinc/33/39/99/1068333999.db2.gz HOJBCGUCJNVPLW-UHFFFAOYSA-N 0 0 458.338 4.787 20 0 JJADRN O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC001463249408 1068334521 /nfs/dbraw/zinc/33/45/21/1068334521.db2.gz FANNLHAQHTXRPY-HXUWFJFHSA-N 0 0 451.972 4.656 20 0 JJADRN CCc1ccc(C(C)(C)NS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001463250797 1068334933 /nfs/dbraw/zinc/33/49/33/1068334933.db2.gz ACETUZPOSXHGLH-QHCPKHFHSA-N 0 0 458.624 4.595 20 0 JJADRN CCN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001463253452 1068335804 /nfs/dbraw/zinc/33/58/04/1068335804.db2.gz YFTGMXCUVHAFGK-JOCHJYFZSA-N 0 0 456.562 4.613 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001463256491 1068336252 /nfs/dbraw/zinc/33/62/52/1068336252.db2.gz KBIVXUYJWLHJAV-OAQYLSRUSA-N 0 0 456.391 4.814 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1)S(=O)(=O)c1ccns1 ZINC001463258563 1068336925 /nfs/dbraw/zinc/33/69/25/1068336925.db2.gz GIUQVOXQJRPIRI-QGZVFWFLSA-N 0 0 457.802 4.969 20 0 JJADRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC001463258918 1068337021 /nfs/dbraw/zinc/33/70/21/1068337021.db2.gz BRZJMBNYSZUBOM-LJQANCHMSA-N 0 0 456.402 4.922 20 0 JJADRN COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(Br)cc3C)c2)cc1 ZINC001463261737 1068337220 /nfs/dbraw/zinc/33/72/20/1068337220.db2.gz MNVXZHVBOCYDKV-UHFFFAOYSA-N 0 0 452.395 4.973 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2C)C(C)(C)C)c(Br)c1 ZINC001463262586 1068337807 /nfs/dbraw/zinc/33/78/07/1068337807.db2.gz OHZFILOXDZDPSU-SFHVURJKSA-N 0 0 454.386 4.610 20 0 JJADRN Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(C)(C)C ZINC001463263995 1068338906 /nfs/dbraw/zinc/33/89/06/1068338906.db2.gz UFESLKHMMNZCRY-QFIPXVFZSA-N 0 0 450.670 4.827 20 0 JJADRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC001463263682 1068339029 /nfs/dbraw/zinc/33/90/29/1068339029.db2.gz UQVRGOMIPGPMRU-SFHVURJKSA-N 0 0 456.402 4.922 20 0 JJADRN Cc1c(S(=O)(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cnn1-c1ccc(Cl)cc1 ZINC001463268096 1068339988 /nfs/dbraw/zinc/33/99/88/1068339988.db2.gz ZRESXKDMAVEGJK-UHFFFAOYSA-N 0 0 456.782 4.888 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(F)cc1F ZINC001463271813 1068340568 /nfs/dbraw/zinc/34/05/68/1068340568.db2.gz DQCLABUKVKVCQQ-OAQYLSRUSA-N 0 0 456.399 4.683 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001463273380 1068340880 /nfs/dbraw/zinc/34/08/80/1068340880.db2.gz XGWYIFWFZSTBTO-CHWSQXEVSA-N 0 0 459.395 4.773 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001463273388 1068340933 /nfs/dbraw/zinc/34/09/33/1068340933.db2.gz XGWYIFWFZSTBTO-OLZOCXBDSA-N 0 0 459.395 4.773 20 0 JJADRN Cc1nc(CNS(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)oc1-c1ccc(Cl)cc1 ZINC001463278609 1068342284 /nfs/dbraw/zinc/34/22/84/1068342284.db2.gz OJXHCNUMJSVMMV-UHFFFAOYSA-N 0 0 451.331 4.810 20 0 JJADRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)n1 ZINC001463277522 1068342318 /nfs/dbraw/zinc/34/23/18/1068342318.db2.gz UHBKWFJQEKVAKN-HNNXBMFYSA-N 0 0 450.185 4.985 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1Br ZINC001463282577 1068343728 /nfs/dbraw/zinc/34/37/28/1068343728.db2.gz BXBJUUNRUJXNST-KRWDZBQOSA-N 0 0 459.203 4.879 20 0 JJADRN COC(=O)c1cc(S(=O)(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)ccc1F ZINC001463282280 1068343833 /nfs/dbraw/zinc/34/38/33/1068343833.db2.gz PMWDTLLJMXGKHP-QFIPXVFZSA-N 0 0 459.926 4.754 20 0 JJADRN Cn1cc(-c2nsc(NC(=O)c3ccc(-c4cccc(OC(F)(F)F)c4)s3)n2)cn1 ZINC001463286967 1068345178 /nfs/dbraw/zinc/34/51/78/1068345178.db2.gz JAZBWEILMBKCFB-UHFFFAOYSA-N 0 0 451.455 4.818 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463288348 1068345332 /nfs/dbraw/zinc/34/53/32/1068345332.db2.gz UIDXYJSHVDEENC-JTQLQIEISA-N 0 0 459.337 4.890 20 0 JJADRN Cc1sc([C@@H](C)NS(=O)(=O)c2cncc(OC(C)C)c2)nc1-c1ccc(Cl)cc1 ZINC001463287427 1068345401 /nfs/dbraw/zinc/34/54/01/1068345401.db2.gz RHANMULTMSWWFY-CYBMUJFWSA-N 0 0 452.001 4.994 20 0 JJADRN C[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(F)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001463289451 1068345738 /nfs/dbraw/zinc/34/57/38/1068345738.db2.gz JDFFIMLOMCZNSH-MZNJEOGPSA-N 0 0 459.496 4.939 20 0 JJADRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463288355 1068345788 /nfs/dbraw/zinc/34/57/88/1068345788.db2.gz UIDXYJSHVDEENC-SNVBAGLBSA-N 0 0 459.337 4.890 20 0 JJADRN COC(=O)C(C)(C)[C@@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)c1ccccc1 ZINC001463290661 1068346290 /nfs/dbraw/zinc/34/62/90/1068346290.db2.gz SLLLXULKBGDSCS-QHCPKHFHSA-N 0 0 453.560 4.581 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1C(F)(F)F ZINC001463293250 1068346793 /nfs/dbraw/zinc/34/67/93/1068346793.db2.gz MUCLEXDWWHLWCO-HRAATJIYSA-N 0 0 453.482 4.582 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001463294551 1068347446 /nfs/dbraw/zinc/34/74/46/1068347446.db2.gz NMEJHVBQFCULJY-CQSZACIVSA-N 0 0 452.354 4.958 20 0 JJADRN O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC001463295808 1068348123 /nfs/dbraw/zinc/34/81/23/1068348123.db2.gz UXQDWHQIDWXLRK-HXUWFJFHSA-N 0 0 452.320 4.936 20 0 JJADRN C[C@@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1nc2ccccc2s1 ZINC001463297050 1068348558 /nfs/dbraw/zinc/34/85/58/1068348558.db2.gz COFSTJHWTJGEHF-ZDUSSCGKSA-N 0 0 450.532 4.908 20 0 JJADRN Cc1nnc(-c2ccccc2C)n1-c1ccc(OS(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC001463298908 1068349094 /nfs/dbraw/zinc/34/90/94/1068349094.db2.gz WSAYJIYSJANMTQ-UHFFFAOYSA-N 0 0 454.939 4.676 20 0 JJADRN Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC001463299189 1068349274 /nfs/dbraw/zinc/34/92/74/1068349274.db2.gz IHSZHUDCBWDNCJ-INIZCTEOSA-N 0 0 453.486 4.568 20 0 JJADRN CC(C)C1CCC(CNS(=O)(=O)c2ccc(Br)cc2Br)CC1 ZINC001463301109 1068349517 /nfs/dbraw/zinc/34/95/17/1068349517.db2.gz SIVVMVQMCAUFHJ-UHFFFAOYSA-N 0 0 453.240 4.952 20 0 JJADRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCc1ccccc1SC(F)(F)F ZINC001463299564 1068349673 /nfs/dbraw/zinc/34/96/73/1068349673.db2.gz RRJXDTABACNRRT-GFCCVEGCSA-N 0 0 459.287 4.803 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccccc1SC(F)(F)F ZINC001463303209 1068350045 /nfs/dbraw/zinc/35/00/45/1068350045.db2.gz CBSTXBRKERPLGF-HNAYVOBHSA-N 0 0 450.526 4.914 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001463304312 1068350401 /nfs/dbraw/zinc/35/04/01/1068350401.db2.gz AVJBRSKNQUOKLQ-CYBMUJFWSA-N 0 0 458.930 4.721 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001463305445 1068351175 /nfs/dbraw/zinc/35/11/75/1068351175.db2.gz CZUQBPJMCOLFMY-IBGZPJMESA-N 0 0 458.407 4.744 20 0 JJADRN NC(=O)CC1(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)CCCCC1 ZINC001463308272 1068351486 /nfs/dbraw/zinc/35/14/86/1068351486.db2.gz HRMVQFRAMNUYFP-UHFFFAOYSA-N 0 0 459.377 4.705 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)Oc2cccc(OC(=O)c3ccccc3)c2)s1 ZINC001463311160 1068352004 /nfs/dbraw/zinc/35/20/04/1068352004.db2.gz XOXXUJLCYNGUMM-UHFFFAOYSA-N 0 0 453.335 4.806 20 0 JJADRN O=S(=O)(c1cnn(C2CCCC2)c1)N(Cc1ccccc1Br)C1CCCC1 ZINC001463312343 1068352697 /nfs/dbraw/zinc/35/26/97/1068352697.db2.gz NYCNFFNYKHPXTI-UHFFFAOYSA-N 0 0 452.418 4.894 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCc2cccc(Br)c2C1 ZINC001463318326 1068354305 /nfs/dbraw/zinc/35/43/05/1068354305.db2.gz FADGFPXBJBKKST-UHFFFAOYSA-N 0 0 454.695 4.868 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C[C@@H]1CCCO1 ZINC001463319858 1068354469 /nfs/dbraw/zinc/35/44/69/1068354469.db2.gz KVUJEZSQWWKHRF-IBGZPJMESA-N 0 0 451.523 4.849 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1ccc(Br)cc1OC(F)F ZINC001463320908 1068355587 /nfs/dbraw/zinc/35/55/87/1068355587.db2.gz KATHZZAEACCGEQ-UHFFFAOYSA-N 0 0 450.182 4.943 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1 ZINC001463321335 1068355679 /nfs/dbraw/zinc/35/56/79/1068355679.db2.gz JNMLPGCAAHRNIE-UHFFFAOYSA-N 0 0 456.377 4.773 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C)cc1O[C@H](C)CC ZINC001463325145 1068357028 /nfs/dbraw/zinc/35/70/28/1068357028.db2.gz ZIDONHJCCNOJQD-OAHLLOKOSA-N 0 0 456.402 4.812 20 0 JJADRN CCN([C@@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC001463324576 1068357147 /nfs/dbraw/zinc/35/71/47/1068357147.db2.gz UKLCZEYMCDMTGU-INIZCTEOSA-N 0 0 459.589 4.982 20 0 JJADRN Cn1cc(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)c(C2CCCC2)n1 ZINC001463326877 1068357472 /nfs/dbraw/zinc/35/74/72/1068357472.db2.gz NHSBLVBYTQEHQD-UHFFFAOYSA-N 0 0 452.599 4.738 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1ccc(Br)cc1OC(F)F ZINC001463328022 1068358137 /nfs/dbraw/zinc/35/81/37/1068358137.db2.gz SMWOTRMCWABUOE-OAHLLOKOSA-N 0 0 455.255 4.573 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccsc2)O1 ZINC001463331488 1068358643 /nfs/dbraw/zinc/35/86/43/1068358643.db2.gz RRMOWPZKNMLLLI-BMIGLBTASA-N 0 0 459.433 4.936 20 0 JJADRN CCOC(=O)[C@H](C)N(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001463331362 1068358695 /nfs/dbraw/zinc/35/86/95/1068358695.db2.gz XWKPWNOKRCFXRO-LBPRGKRZSA-N 0 0 452.363 4.931 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463331907 1068359364 /nfs/dbraw/zinc/35/93/64/1068359364.db2.gz DLFCFQCWBSVSEM-GFCCVEGCSA-N 0 0 455.287 4.933 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)c(Cl)c1 ZINC001463334697 1068359742 /nfs/dbraw/zinc/35/97/42/1068359742.db2.gz DECKRVMKRJDPNZ-UHFFFAOYSA-N 0 0 455.671 4.939 20 0 JJADRN C[S@](=O)(=NS(=O)(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333544 1068359873 /nfs/dbraw/zinc/35/98/73/1068359873.db2.gz FMFHAJMNQOYQSX-PIIWDFAUSA-N 0 0 459.008 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(COc3cccc(F)c3)c1)C2 ZINC001463336484 1068361111 /nfs/dbraw/zinc/36/11/11/1068361111.db2.gz IZCVCTUKGTUSKP-NYVOZVTQSA-N 0 0 454.542 4.923 20 0 JJADRN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001463337623 1068361152 /nfs/dbraw/zinc/36/11/52/1068361152.db2.gz PCGLPFVAZILOSY-UHFFFAOYSA-N 0 0 456.724 4.673 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001463338676 1068361665 /nfs/dbraw/zinc/36/16/65/1068361665.db2.gz WNASRDUAAZUJMX-QFIPXVFZSA-N 0 0 457.534 4.905 20 0 JJADRN CN1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c2cc(Br)ccc21 ZINC001463339986 1068361872 /nfs/dbraw/zinc/36/18/72/1068361872.db2.gz BAQNQFZWPULEPX-UHFFFAOYSA-N 0 0 450.336 4.798 20 0 JJADRN CCc1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1I ZINC001463340763 1068362348 /nfs/dbraw/zinc/36/23/48/1068362348.db2.gz IYAFDBHPDVOVDI-UHFFFAOYSA-N 0 0 456.121 4.819 20 0 JJADRN O=S(=O)(c1c(F)cc(Br)cc1F)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001463341034 1068362394 /nfs/dbraw/zinc/36/23/94/1068362394.db2.gz CDUMWNUMEWKDPF-UHFFFAOYSA-N 0 0 457.123 4.781 20 0 JJADRN O=C(N(c1ccccc1)c1ccccc1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC001463342015 1068363088 /nfs/dbraw/zinc/36/30/88/1068363088.db2.gz HOHJTWDDCMLTSZ-OAQYLSRUSA-N 0 0 450.336 4.880 20 0 JJADRN CCOc1ccc(C2=CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)CC2)cc1 ZINC001463344982 1068364509 /nfs/dbraw/zinc/36/45/09/1068364509.db2.gz AFEXNLYSQHGJBQ-UHFFFAOYSA-N 0 0 458.324 4.604 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC001463346046 1068365707 /nfs/dbraw/zinc/36/57/07/1068365707.db2.gz UCHIAPLGGKQAAH-HKUYNNGSSA-N 0 0 455.498 4.805 20 0 JJADRN COc1cc(Cl)ccc1S(=O)(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC001463345821 1068365811 /nfs/dbraw/zinc/36/58/11/1068365811.db2.gz SBQDJDWZJPXGFJ-UHFFFAOYSA-N 0 0 458.805 4.854 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC001463346058 1068365865 /nfs/dbraw/zinc/36/58/65/1068365865.db2.gz UCHIAPLGGKQAAH-MJGOQNOKSA-N 0 0 455.498 4.805 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463347643 1068366248 /nfs/dbraw/zinc/36/62/48/1068366248.db2.gz YGHPELIAOVSFEL-FPOVZHCZSA-N 0 0 457.514 4.739 20 0 JJADRN C[C@H]1Cc2cc(S(=O)(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)cc(Cl)c2O1 ZINC001463353655 1068368130 /nfs/dbraw/zinc/36/81/30/1068368130.db2.gz DJVGLYYEHYPKLA-RYUDHWBXSA-N 0 0 456.789 4.561 20 0 JJADRN COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001463353135 1068368195 /nfs/dbraw/zinc/36/81/95/1068368195.db2.gz QRBDAVXGZUOSKC-QMMMGPOBSA-N 0 0 457.148 4.943 20 0 JJADRN Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n(-c2ccccc2)n1 ZINC001463355644 1068368865 /nfs/dbraw/zinc/36/88/65/1068368865.db2.gz DXQLTOCOOMUKLS-AWEZNQCLSA-N 0 0 457.905 4.762 20 0 JJADRN COc1ccc2c(c1)CC[C@@H](C(=O)N1CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC1)C2 ZINC001463355455 1068369067 /nfs/dbraw/zinc/36/90/67/1068369067.db2.gz IBDJALDYPODZBZ-FYYLOGMGSA-N 0 0 456.627 4.684 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1Cl)NCC1(c2ccc(F)cc2F)CC1 ZINC001463356875 1068369717 /nfs/dbraw/zinc/36/97/17/1068369717.db2.gz MHEZBHXOTLIRNS-UHFFFAOYSA-N 0 0 450.732 4.532 20 0 JJADRN O=S(=O)(Oc1c(F)cccc1Cl)c1scc(Br)c1Br ZINC001463360594 1068370245 /nfs/dbraw/zinc/37/02/45/1068370245.db2.gz XLGWGNKFQMQRRG-UHFFFAOYSA-N 0 0 450.532 4.833 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC001463362907 1068371265 /nfs/dbraw/zinc/37/12/65/1068371265.db2.gz OWPMXJSXPHGSOY-AWEZNQCLSA-N 0 0 452.523 4.608 20 0 JJADRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001463362458 1068371874 /nfs/dbraw/zinc/37/18/74/1068371874.db2.gz XDVWZBBPANWWGI-GOSISDBHSA-N 0 0 452.498 4.506 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Oc4ccccc4)n3)cc2)C1 ZINC001463365303 1068373627 /nfs/dbraw/zinc/37/36/27/1068373627.db2.gz CDONMGIANPFJIN-GOSISDBHSA-N 0 0 451.548 4.547 20 0 JJADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001463365647 1068373653 /nfs/dbraw/zinc/37/36/53/1068373653.db2.gz ZXVKPPLYBUEUKE-NHCUHLMSSA-N 0 0 455.480 4.879 20 0 JJADRN CCOC(=O)Cc1cccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)c1 ZINC001463370102 1068374687 /nfs/dbraw/zinc/37/46/87/1068374687.db2.gz ZGAYIHROPJXEQD-UHFFFAOYSA-N 0 0 455.917 4.536 20 0 JJADRN CC(C)(C)CCCS(=O)(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001463373384 1068375478 /nfs/dbraw/zinc/37/54/78/1068375478.db2.gz BEFHVXUQNDUJTA-UHFFFAOYSA-N 0 0 458.668 4.566 20 0 JJADRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001463374968 1068376095 /nfs/dbraw/zinc/37/60/95/1068376095.db2.gz NDWFFHLNWQNNPM-UHFFFAOYSA-N 0 0 456.408 4.564 20 0 JJADRN COc1cccc2c1CCC[C@H](NC(=O)c1scc(Br)c1Br)C2 ZINC001463373671 1068376242 /nfs/dbraw/zinc/37/62/42/1068376242.db2.gz MJFZLQWNMXMMIJ-NSHDSACASA-N 0 0 459.203 4.959 20 0 JJADRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463376035 1068376546 /nfs/dbraw/zinc/37/65/46/1068376546.db2.gz ANAHXOPUMFSVHG-ZYHUDNBSSA-N 0 0 450.832 4.852 20 0 JJADRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001463376033 1068376741 /nfs/dbraw/zinc/37/67/41/1068376741.db2.gz ANAHXOPUMFSVHG-PWSUYJOCSA-N 0 0 450.832 4.852 20 0 JJADRN COc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1-c1ccccc1 ZINC001463378646 1068377481 /nfs/dbraw/zinc/37/74/81/1068377481.db2.gz PKOGRUOPLIIMGF-URXFXBBRSA-N 0 0 455.551 4.778 20 0 JJADRN CCOc1ccc([C@H](NS(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)c2cccc(Cl)c2)cc1 ZINC001463379669 1068377593 /nfs/dbraw/zinc/37/75/93/1068377593.db2.gz ALULCLXDZLOOST-ZRBLBEILSA-N 0 0 450.000 4.705 20 0 JJADRN COC(=O)c1oc(S(=O)(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C ZINC001463381910 1068378550 /nfs/dbraw/zinc/37/85/50/1068378550.db2.gz KICSANILBCESKC-GOSISDBHSA-N 0 0 454.331 4.749 20 0 JJADRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccn(CCc2ccccc2)n1 ZINC001463383064 1068379339 /nfs/dbraw/zinc/37/93/39/1068379339.db2.gz ZSIYMUAWVWIUAF-UHFFFAOYSA-N 0 0 454.905 4.715 20 0 JJADRN CCC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CCCC1 ZINC001546138676 1068379628 /nfs/dbraw/zinc/37/96/28/1068379628.db2.gz JMAGLXBTFWARBI-LJQANCHMSA-N 0 0 485.654 4.830 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CCOCC1 ZINC001546138690 1068379700 /nfs/dbraw/zinc/37/97/00/1068379700.db2.gz KDLIIJKCWNOVLK-NRFANRHFSA-N 0 0 498.672 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1 ZINC001463386857 1068380076 /nfs/dbraw/zinc/38/00/76/1068380076.db2.gz DILAONNZWMGBTK-KRWDZBQOSA-N 0 0 453.474 4.595 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CCCc3c(Br)cccc32)CC1 ZINC001463387240 1068380625 /nfs/dbraw/zinc/38/06/25/1068380625.db2.gz FRWWHUIETYVGQJ-QXMHVHEDSA-N 0 0 453.380 4.680 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC001463387655 1068380640 /nfs/dbraw/zinc/38/06/40/1068380640.db2.gz IZFQRXGFHYNTKG-LBPRGKRZSA-N 0 0 458.397 4.763 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1c(F)cccc1Br ZINC001463387952 1068380752 /nfs/dbraw/zinc/38/07/52/1068380752.db2.gz JJQWBZAEDRHVOD-JTQLQIEISA-N 0 0 451.155 4.732 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)Cc1ccc(Cl)nc1C)C(F)(F)F ZINC001463389246 1068381192 /nfs/dbraw/zinc/38/11/92/1068381192.db2.gz DCYOTBJGRMFMGR-GOSISDBHSA-N 0 0 450.892 4.851 20 0 JJADRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001463388764 1068381376 /nfs/dbraw/zinc/38/13/76/1068381376.db2.gz ASVHQOXNRJQOFD-UHFFFAOYSA-N 0 0 456.608 4.820 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC001463393860 1068382742 /nfs/dbraw/zinc/38/27/42/1068382742.db2.gz CDUVNCHENHHSKV-WBVHZDCISA-N 0 0 450.373 4.539 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC001463396041 1068383242 /nfs/dbraw/zinc/38/32/42/1068383242.db2.gz PGLYLCACOWYMFP-LJQANCHMSA-N 0 0 456.530 4.702 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)C[C@H](CC(C)C)OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396028 1068383429 /nfs/dbraw/zinc/38/34/29/1068383429.db2.gz PFUODVXFWUTFAC-SFTDATJTSA-N 0 0 459.530 4.784 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)C[C@H](CC(C)C)OC)c2ccc(C(F)(F)F)cc2)cc1 ZINC001463396013 1068383494 /nfs/dbraw/zinc/38/34/94/1068383494.db2.gz PFUODVXFWUTFAC-LEWJYISDSA-N 0 0 459.530 4.784 20 0 JJADRN COc1cc(C(=O)N2CCCc3c(Br)cccc32)cc(Br)c1OC ZINC001463396751 1068383783 /nfs/dbraw/zinc/38/37/83/1068383783.db2.gz QPCBCDRSTUCTGA-UHFFFAOYSA-N 0 0 455.146 4.822 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 ZINC001463398468 1068383940 /nfs/dbraw/zinc/38/39/40/1068383940.db2.gz JNOUVLSPHDQAAS-PWAZGEDXSA-N 0 0 456.970 4.629 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c(OC)c1 ZINC001463398477 1068384274 /nfs/dbraw/zinc/38/42/74/1068384274.db2.gz JNOUVLSPHDQAAS-URASMIOHSA-N 0 0 456.970 4.629 20 0 JJADRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC001463399806 1068384329 /nfs/dbraw/zinc/38/43/29/1068384329.db2.gz WMMUOHLOZLABQY-SNVBAGLBSA-N 0 0 451.155 4.732 20 0 JJADRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC001463401009 1068384878 /nfs/dbraw/zinc/38/48/78/1068384878.db2.gz SBSCFSKIQBRGPY-NOZRDPDXSA-N 0 0 455.551 4.904 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)sc1Br ZINC001463405996 1068386689 /nfs/dbraw/zinc/38/66/89/1068386689.db2.gz UAJYCTXINQTWQX-ZDUSSCGKSA-N 0 0 454.415 4.572 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)cc12 ZINC001463410457 1068388111 /nfs/dbraw/zinc/38/81/11/1068388111.db2.gz JYQVWROREOYWGC-GOSISDBHSA-N 0 0 459.358 4.659 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001463410524 1068388247 /nfs/dbraw/zinc/38/82/47/1068388247.db2.gz KEEHZXZFKXPFRN-FOIQADDNSA-N 0 0 453.963 4.807 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)C[C@H](OC)C2CCCC2)cc1OC ZINC001463410239 1068388306 /nfs/dbraw/zinc/38/83/06/1068388306.db2.gz JEWOIKKFTNPHEP-JLGINSKQSA-N 0 0 453.645 4.620 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001463411701 1068388720 /nfs/dbraw/zinc/38/87/20/1068388720.db2.gz MMWUTRDTZLTFIK-IBGZPJMESA-N 0 0 457.905 4.676 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)N2CCc3cc(Br)cc(C)c3C2)c1 ZINC001463411476 1068388882 /nfs/dbraw/zinc/38/88/82/1068388882.db2.gz MBZMRGMUNZTIJO-UHFFFAOYSA-N 0 0 459.203 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nccc(NC(=O)CO[C@@H]2CCCc3ccccc32)n1 ZINC001463412667 1068389254 /nfs/dbraw/zinc/38/92/54/1068389254.db2.gz GUBFJYJAJYWNHD-VQTJNVASSA-N 0 0 452.555 4.581 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2cc(C)cnc2Cl)cc1OC ZINC001463413636 1068389828 /nfs/dbraw/zinc/38/98/28/1068389828.db2.gz RQLWYURCNLERJQ-SJLPKXTDSA-N 0 0 453.004 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)C2)CC1 ZINC001463413921 1068390154 /nfs/dbraw/zinc/39/01/54/1068390154.db2.gz BZXGZTNJJAXEOV-UHFFFAOYSA-N 0 0 456.608 4.765 20 0 JJADRN CC[C@H](C)Oc1cccc(S(=O)(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1 ZINC001463414946 1068390587 /nfs/dbraw/zinc/39/05/87/1068390587.db2.gz WZEIYCGARMJWDI-MDOVXXIYSA-N 0 0 456.402 4.681 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)CC3 ZINC001463419551 1068391744 /nfs/dbraw/zinc/39/17/44/1068391744.db2.gz SVICXZQACQABBF-JTQLQIEISA-N 0 0 459.818 4.790 20 0 JJADRN COc1ccc2oc(C(=O)Nc3ccnc([C@H]4CCCN4C(=O)OC(C)(C)C)n3)c(C)c2c1 ZINC001463418226 1068391902 /nfs/dbraw/zinc/39/19/02/1068391902.db2.gz WTAFTFQABNYCHF-QGZVFWFLSA-N 0 0 452.511 4.864 20 0 JJADRN CCCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)cc1OCCC ZINC001463423723 1068392610 /nfs/dbraw/zinc/39/26/10/1068392610.db2.gz MWWLOXZKRWUKLB-OAQYLSRUSA-N 0 0 456.583 4.686 20 0 JJADRN C[C@H](OCc1ccc(F)cc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)OC(C)(C)C ZINC001463428080 1068393758 /nfs/dbraw/zinc/39/37/58/1068393758.db2.gz ZYULAUZMGIJRSC-AWEZNQCLSA-N 0 0 459.543 4.787 20 0 JJADRN O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@@H](CC1CCC1)c1ccccc1 ZINC001463427815 1068393775 /nfs/dbraw/zinc/39/37/75/1068393775.db2.gz CAWVPRRKWVWCGB-SFHVURJKSA-N 0 0 452.370 4.529 20 0 JJADRN CCc1ccc(C2=CCN(S(=O)(=O)Cc3cc(OC)ccc3Br)CC2)cc1 ZINC001463429303 1068394114 /nfs/dbraw/zinc/39/41/14/1068394114.db2.gz BKMRTEOBINWVIG-UHFFFAOYSA-N 0 0 450.398 4.639 20 0 JJADRN O=S(=O)(NCc1cc(OCC(F)F)ccn1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463429226 1068394175 /nfs/dbraw/zinc/39/41/75/1068394175.db2.gz VVSDFSHWEGMIJI-UHFFFAOYSA-N 0 0 454.882 4.650 20 0 JJADRN CN([C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001463428770 1068394195 /nfs/dbraw/zinc/39/41/95/1068394195.db2.gz DLLMBJQKGRWXRL-RTBURBONSA-N 0 0 451.466 4.769 20 0 JJADRN O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001463428840 1068394487 /nfs/dbraw/zinc/39/44/87/1068394487.db2.gz MRXSMSFIMKRDCH-BOLBYERCSA-N 0 0 463.949 4.582 20 0 JJADRN CCOc1cccc(S(=O)(=O)Oc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c1 ZINC001463429912 1068394860 /nfs/dbraw/zinc/39/48/60/1068394860.db2.gz CTCSDWMWQANQKH-UHFFFAOYSA-N 0 0 459.564 4.877 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC001463433741 1068395510 /nfs/dbraw/zinc/39/55/10/1068395510.db2.gz KRUUCYPHVCOCQG-UXHICEINSA-N 0 0 455.498 4.757 20 0 JJADRN COC(=O)c1cccc(CS(=O)(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001463431926 1068395535 /nfs/dbraw/zinc/39/55/35/1068395535.db2.gz IIKUFXDONUYSQM-VQTJNVASSA-N 0 0 455.498 4.590 20 0 JJADRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(Br)c1 ZINC001463432921 1068395667 /nfs/dbraw/zinc/39/56/67/1068395667.db2.gz SLYPYHGCVBTUNG-VIFPVBQESA-N 0 0 456.255 4.655 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2ccc(Br)cc2Cl)CC[C@@H](C)c2ccccc21 ZINC001463433854 1068396134 /nfs/dbraw/zinc/39/61/34/1068396134.db2.gz CYYVGBNHXLLCPL-ASSNKEHSSA-N 0 0 450.760 4.727 20 0 JJADRN CN([C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC001463435951 1068396928 /nfs/dbraw/zinc/39/69/28/1068396928.db2.gz MPTSDKHGEKPVNV-QUCCMNQESA-N 0 0 450.482 4.504 20 0 JJADRN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H]3CCCOc4c(F)cccc43)cc2)cc1 ZINC001463437746 1068397879 /nfs/dbraw/zinc/39/78/79/1068397879.db2.gz ZGZBIQSEPHTKHF-QHCPKHFHSA-N 0 0 454.523 4.643 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cccc(Br)c2)C(C)(C)O1 ZINC001463440060 1068398164 /nfs/dbraw/zinc/39/81/64/1068398164.db2.gz QROFUJWGDQXGKR-IBGZPJMESA-N 0 0 452.414 4.986 20 0 JJADRN CCCc1c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cnn1-c1cccc(C)c1 ZINC001463443940 1068398759 /nfs/dbraw/zinc/39/87/59/1068398759.db2.gz ZLZMLJGWDHZXDG-FQEVSTJZSA-N 0 0 454.615 4.900 20 0 JJADRN O=S(=O)(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc(Sc2ccccc2)c1 ZINC001463445228 1068399091 /nfs/dbraw/zinc/39/90/91/1068399091.db2.gz MIUCUYIUSFIXAL-HXUWFJFHSA-N 0 0 453.507 4.869 20 0 JJADRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001546139101 1068399288 /nfs/dbraw/zinc/39/92/88/1068399288.db2.gz ADAMCYWQYXGWPH-PLNGDYQASA-N 0 0 455.502 4.563 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)c1ccc(F)cc1OC(F)F ZINC001463450425 1068401039 /nfs/dbraw/zinc/40/10/39/1068401039.db2.gz JGUHOADNXJZUIH-SECBINFHSA-N 0 0 456.255 4.509 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](Cc3ccccc3)O1)CC2 ZINC001463451428 1068401764 /nfs/dbraw/zinc/40/17/64/1068401764.db2.gz LBBOZDADWBLAGP-ZRBLBEILSA-N 0 0 456.627 4.710 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](Cc3ccccc3)O1)CC2 ZINC001463451425 1068401773 /nfs/dbraw/zinc/40/17/73/1068401773.db2.gz LBBOZDADWBLAGP-ZLNRFVROSA-N 0 0 456.627 4.710 20 0 JJADRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1ccc(F)cc1OC(F)F ZINC001463452035 1068402122 /nfs/dbraw/zinc/40/21/22/1068402122.db2.gz QLBLJZCKNVACPZ-MRVPVSSYSA-N 0 0 458.683 4.883 20 0 JJADRN CC(C)COc1ncccc1C(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001463453344 1068402888 /nfs/dbraw/zinc/40/28/88/1068402888.db2.gz MLRAVQHXMKYPDL-UHFFFAOYSA-N 0 0 459.509 4.520 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c(OC)c1 ZINC001463454150 1068403454 /nfs/dbraw/zinc/40/34/54/1068403454.db2.gz WFDNBPCSEKMQCT-SREVYHEPSA-N 0 0 459.564 4.835 20 0 JJADRN COC(=O)[C@]1(NC(=O)Cc2ccc(Br)c(Cl)c2)CC[C@H](C)c2ccccc21 ZINC001463454323 1068403510 /nfs/dbraw/zinc/40/35/10/1068403510.db2.gz UAMXACCQHJOZSV-ZSEKCTLFSA-N 0 0 450.760 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC001463454330 1068404395 /nfs/dbraw/zinc/40/43/95/1068404395.db2.gz SDCPSPNGUVGQAM-UHFFFAOYSA-N 0 0 456.292 4.792 20 0 JJADRN O=C(C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccccc1 ZINC001463456777 1068404959 /nfs/dbraw/zinc/40/49/59/1068404959.db2.gz VOIHXMFIRDUYDX-KRWDZBQOSA-N 0 0 456.789 4.670 20 0 JJADRN O=C(C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccccc1 ZINC001463456783 1068404973 /nfs/dbraw/zinc/40/49/73/1068404973.db2.gz VOIHXMFIRDUYDX-QGZVFWFLSA-N 0 0 456.789 4.670 20 0 JJADRN CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)c1 ZINC001463456451 1068405009 /nfs/dbraw/zinc/40/50/09/1068405009.db2.gz OHJOOXXGJXYCDM-KRWDZBQOSA-N 0 0 457.523 4.621 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@]2(C)CCCc3ccccc32)cc1Cl ZINC001463456862 1068405966 /nfs/dbraw/zinc/40/59/66/1068405966.db2.gz ORZPKEJCDVFQSW-OAQYLSRUSA-N 0 0 458.407 4.591 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Cl)cc2Cl)CCCC1)c1cnn(CC(F)(F)F)c1 ZINC001463459471 1068406926 /nfs/dbraw/zinc/40/69/26/1068406926.db2.gz BMYVAXOZVSFLLV-UHFFFAOYSA-N 0 0 456.317 4.543 20 0 JJADRN COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)c1F ZINC001463462891 1068407713 /nfs/dbraw/zinc/40/77/13/1068407713.db2.gz VFPUMINBQIIXQG-UHFFFAOYSA-N 0 0 451.535 4.518 20 0 JJADRN C[C@@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC001463464597 1068409053 /nfs/dbraw/zinc/40/90/53/1068409053.db2.gz DANHQMHJCKJJOK-RBJSKKJNSA-N 0 0 457.574 4.573 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC001463465814 1068409964 /nfs/dbraw/zinc/40/99/64/1068409964.db2.gz BECZJSMGXAIYPC-MRXNPFEDSA-N 0 0 450.440 4.523 20 0 JJADRN COc1cc(CCNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)cc(OC)c1 ZINC001463466323 1068410068 /nfs/dbraw/zinc/41/00/68/1068410068.db2.gz IEUZPVNHIYACPH-UHFFFAOYSA-N 0 0 450.226 4.597 20 0 JJADRN C[C@@H]1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)C[C@@H]1NC(=O)C(F)(F)F ZINC001463465879 1068410085 /nfs/dbraw/zinc/41/00/85/1068410085.db2.gz CHCCLRVYEGLWJT-VFNWGFHPSA-N 0 0 475.486 4.822 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)c1ccc(OC)c(OC)c1 ZINC001463466868 1068410999 /nfs/dbraw/zinc/41/09/99/1068410999.db2.gz SECQPUADUTWRMV-UHFFFAOYSA-N 0 0 458.580 4.704 20 0 JJADRN CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c3ccc(C)cc3)cc21 ZINC001463469418 1068411552 /nfs/dbraw/zinc/41/15/52/1068411552.db2.gz HXVOMQOCGCSHNU-QRWLVFNGSA-N 0 0 454.514 4.827 20 0 JJADRN CC1(C)CN(S(=O)(=O)c2cc(Br)cc(Br)c2)Cc2ccccc21 ZINC001463475076 1068413647 /nfs/dbraw/zinc/41/36/47/1068413647.db2.gz UQWDGHOHARKKRX-UHFFFAOYSA-N 0 0 459.203 4.694 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(C)c1F ZINC001463475573 1068414254 /nfs/dbraw/zinc/41/42/54/1068414254.db2.gz YIGDVDSGBLMMNQ-UHFFFAOYSA-N 0 0 454.873 4.566 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC001463476679 1068414335 /nfs/dbraw/zinc/41/43/35/1068414335.db2.gz VEOAFDFYDUQXAU-HSZRJFAPSA-N 0 0 451.592 4.758 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCc2cc(C(C)C)ccc2C1 ZINC001463482537 1068415692 /nfs/dbraw/zinc/41/56/92/1068415692.db2.gz KPIHYLGZHCZQQR-HXUWFJFHSA-N 0 0 454.636 4.880 20 0 JJADRN COC(=O)[C@@]1(CNC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCOC1 ZINC001463481476 1068415755 /nfs/dbraw/zinc/41/57/55/1068415755.db2.gz BAINBRYDHLJQLY-OAQYLSRUSA-N 0 0 454.375 4.595 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCc2cc(C(C)C)ccc2C1 ZINC001463482526 1068415828 /nfs/dbraw/zinc/41/58/28/1068415828.db2.gz KPIHYLGZHCZQQR-FQEVSTJZSA-N 0 0 454.636 4.880 20 0 JJADRN CCOc1ccc(S(=O)(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)c2ccccc12 ZINC001463484311 1068415842 /nfs/dbraw/zinc/41/58/42/1068415842.db2.gz XXPDOXGSLURIRD-HSZRJFAPSA-N 0 0 455.967 4.693 20 0 JJADRN CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCc3cc(C(C)C)ccc3C2)C1 ZINC001463486220 1068416407 /nfs/dbraw/zinc/41/64/07/1068416407.db2.gz ZGCIUJYNZFPSSV-SQHAQQRYSA-N 0 0 450.579 4.511 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c(C)c1 ZINC001463489725 1068417744 /nfs/dbraw/zinc/41/77/44/1068417744.db2.gz VQPPFFHNIWJGDA-HXUWFJFHSA-N 0 0 459.543 4.807 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 ZINC001463492639 1068418376 /nfs/dbraw/zinc/41/83/76/1068418376.db2.gz UCOBZJWKBQFIRM-UHFFFAOYSA-N 0 0 452.414 4.979 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC001463492855 1068418607 /nfs/dbraw/zinc/41/86/07/1068418607.db2.gz HFWYGEUQKXVPIU-AWEZNQCLSA-N 0 0 450.329 4.737 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3C(=O)OC)CC2=O)cc1 ZINC001463495669 1068419286 /nfs/dbraw/zinc/41/92/86/1068419286.db2.gz VLYMIEBKRCZSRD-IBGZPJMESA-N 0 0 452.551 4.595 20 0 JJADRN C[C@@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463497596 1068419771 /nfs/dbraw/zinc/41/97/71/1068419771.db2.gz JURNYRBAXOPNRN-BDAKNGLRSA-N 0 0 454.230 4.819 20 0 JJADRN O=C(Nc1cn(-c2ccccc2)nn1)c1cccc(Sc2cccc(Br)c2)n1 ZINC001463499727 1068420627 /nfs/dbraw/zinc/42/06/27/1068420627.db2.gz UWYRPMOBVKMMID-UHFFFAOYSA-N 0 0 452.337 4.828 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nc3c(s2)CCCC3=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC001463502659 1068421106 /nfs/dbraw/zinc/42/11/06/1068421106.db2.gz VHYPRTYKMWRLNA-CVEARBPZSA-N 0 0 475.998 4.905 20 0 JJADRN O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CCc2cc(Br)ccc2C1 ZINC001463503616 1068421240 /nfs/dbraw/zinc/42/12/40/1068421240.db2.gz JCHPICBXUVZJQR-UHFFFAOYSA-N 0 0 455.736 4.537 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC001463506145 1068422519 /nfs/dbraw/zinc/42/25/19/1068422519.db2.gz RJLHRBQABKFBIX-MRXNPFEDSA-N 0 0 451.919 4.843 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N(C)C ZINC001463505580 1068422603 /nfs/dbraw/zinc/42/26/03/1068422603.db2.gz ZICBQXRFTRAJRV-OPAMFIHVSA-N 0 0 457.615 4.582 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCC(c2ccncc2)CC1 ZINC001463508557 1068423168 /nfs/dbraw/zinc/42/31/68/1068423168.db2.gz IWBXVYLFUPVDRH-UHFFFAOYSA-N 0 0 450.185 4.719 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNS(=O)(=O)c3ccc(CCC(C)C)cc3)c2)n1 ZINC001463510278 1068423954 /nfs/dbraw/zinc/42/39/54/1068423954.db2.gz NSSCZDPXAIKNMN-UHFFFAOYSA-N 0 0 458.605 4.664 20 0 JJADRN O=C(Nc1cc(Cl)c2c(c1)OCCO2)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001463510899 1068424596 /nfs/dbraw/zinc/42/45/96/1068424596.db2.gz DOVPIRNEDNZOEE-SFHVURJKSA-N 0 0 451.748 4.649 20 0 JJADRN O=S(=O)(NCc1ccc(C2CCC2)cc1)c1ccc(Br)cc1Br ZINC001463513876 1068425343 /nfs/dbraw/zinc/42/53/43/1068425343.db2.gz PWUBXZXQDOYOSD-UHFFFAOYSA-N 0 0 459.203 4.958 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001463515734 1068425944 /nfs/dbraw/zinc/42/59/44/1068425944.db2.gz WJGGKAKVSSVRME-CLOONOSVSA-N 0 0 459.587 4.720 20 0 JJADRN CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)Oc3ccc(-c4c(C)noc4C)cc3)ccc21 ZINC001463517103 1068426023 /nfs/dbraw/zinc/42/60/23/1068426023.db2.gz DHPAOBLIFQBXHX-UHFFFAOYSA-N 0 0 454.548 4.760 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001463519568 1068426620 /nfs/dbraw/zinc/42/66/20/1068426620.db2.gz LPVBXCLGGXWBOJ-HXUWFJFHSA-N 0 0 451.972 4.923 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)NC(C)(C)Cc3ccc(C(F)(F)F)cc3)cc2F)c1 ZINC001463522865 1068427320 /nfs/dbraw/zinc/42/73/20/1068427320.db2.gz BGFWCCVURKUVKF-UHFFFAOYSA-N 0 0 455.477 4.638 20 0 JJADRN Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC001463524346 1068427978 /nfs/dbraw/zinc/42/79/78/1068427978.db2.gz FWHKZKNYLWDIFL-YJYMSZOUSA-N 0 0 458.805 4.703 20 0 JJADRN C/C(=C\c1ccccc1)CN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001463523632 1068428035 /nfs/dbraw/zinc/42/80/35/1068428035.db2.gz PSWLGULVQDMGPH-MDWZMJQESA-N 0 0 459.203 4.936 20 0 JJADRN C/C(=C/c1ccccc1)CN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001463523630 1068428096 /nfs/dbraw/zinc/42/80/96/1068428096.db2.gz PSWLGULVQDMGPH-JYRVWZFOSA-N 0 0 459.203 4.936 20 0 JJADRN O=C(N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001463527947 1068428832 /nfs/dbraw/zinc/42/88/32/1068428832.db2.gz NBFDPCADSOPXMG-QKNQBKEWSA-N 0 0 467.329 4.876 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC001463528953 1068429365 /nfs/dbraw/zinc/42/93/65/1068429365.db2.gz NMEHCSLSFDGBKI-SFHVURJKSA-N 0 0 453.612 4.521 20 0 JJADRN CCCOc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(OCc2ccccc2)c1 ZINC001463531389 1068429458 /nfs/dbraw/zinc/42/94/58/1068429458.db2.gz URPVGSMGLIGIHS-UHFFFAOYSA-N 0 0 454.548 4.678 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001463530789 1068429476 /nfs/dbraw/zinc/42/94/76/1068429476.db2.gz ZEVXLBQROKKZOI-SECBINFHSA-N 0 0 456.255 4.655 20 0 JJADRN CC[C@@H](CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)Oc1ccc(Cl)c(Cl)c1 ZINC001463532722 1068430023 /nfs/dbraw/zinc/43/00/23/1068430023.db2.gz LLPIZPDLKXLYRS-LBPRGKRZSA-N 0 0 457.301 4.885 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1C(C)C ZINC001463531769 1068430066 /nfs/dbraw/zinc/43/00/66/1068430066.db2.gz XSWLLDFOGDNJQF-JOCHJYFZSA-N 0 0 450.645 4.591 20 0 JJADRN CCc1cc(S(=O)(=O)N2CCC(c3ccccc3Br)CC2)c(C)cc1OC ZINC001463535292 1068431503 /nfs/dbraw/zinc/43/15/03/1068431503.db2.gz FPGQGEHVIPWUFO-UHFFFAOYSA-N 0 0 452.414 4.897 20 0 JJADRN O=S(=O)(NCc1cc(Br)ccc1Br)c1ccc2c(c1)CCCC2 ZINC001463533721 1068431520 /nfs/dbraw/zinc/43/15/20/1068431520.db2.gz ASPJQFCPLINVSG-UHFFFAOYSA-N 0 0 459.203 4.569 20 0 JJADRN CCOc1ccc(CN(C)C(=O)Cn2c3ccccc3nc2-c2scnc2C)cc1OC ZINC001463537036 1068432125 /nfs/dbraw/zinc/43/21/25/1068432125.db2.gz CHHPMRINDRDEAY-UHFFFAOYSA-N 0 0 450.564 4.534 20 0 JJADRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463535590 1068432190 /nfs/dbraw/zinc/43/21/90/1068432190.db2.gz KFVCEWZYBLYBED-SCZZXKLOSA-N 0 0 454.230 4.819 20 0 JJADRN CCOc1ccc(CN(C)C(=O)c2c3c(sc2NC(=O)c2ccco2)CCC3)cc1OC ZINC001463536973 1068432247 /nfs/dbraw/zinc/43/22/47/1068432247.db2.gz BUAIVZPLRDKJNG-UHFFFAOYSA-N 0 0 454.548 4.762 20 0 JJADRN Cc1cccc2c1N(C1CC1)CCN2S(=O)(=O)c1cc(Cl)c(Br)cc1C ZINC001463537840 1068433003 /nfs/dbraw/zinc/43/30/03/1068433003.db2.gz DWHYGIIMEUJGKT-UHFFFAOYSA-N 0 0 455.805 4.897 20 0 JJADRN CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c2ccccc21 ZINC001463538352 1068433755 /nfs/dbraw/zinc/43/37/55/1068433755.db2.gz LXWGETZTPXBPRB-HSZRJFAPSA-N 0 0 457.592 4.891 20 0 JJADRN CCCOc1ccnc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC001463538287 1068433807 /nfs/dbraw/zinc/43/38/07/1068433807.db2.gz UZCPRVHKNVABMX-UHFFFAOYSA-N 0 0 458.440 4.718 20 0 JJADRN CCOc1ccc(CN(C)C(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1OC ZINC001463541346 1068435329 /nfs/dbraw/zinc/43/53/29/1068435329.db2.gz QFKOMLPDHREEJX-QHCPKHFHSA-N 0 0 451.485 4.721 20 0 JJADRN O=C(OCc1ccccc1)[C@H](CNS(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC001463543949 1068435907 /nfs/dbraw/zinc/43/59/07/1068435907.db2.gz TUWKGKNDPBTCOB-XOAGPTPASA-N 0 0 455.963 4.757 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1NC(=O)c1ccccn1 ZINC001463544065 1068436038 /nfs/dbraw/zinc/43/60/38/1068436038.db2.gz JQAQNSZKAJWCPW-ROUUACIJSA-N 0 0 459.612 4.616 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc4ccccc4c3)cc2)C1 ZINC001463545797 1068437342 /nfs/dbraw/zinc/43/73/42/1068437342.db2.gz RZFNELOFZJCJSF-BGYRXZFFSA-N 0 0 450.604 4.779 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)s2)cc1OC ZINC001463547612 1068438047 /nfs/dbraw/zinc/43/80/47/1068438047.db2.gz WECKVADEDRVJSL-KRWDZBQOSA-N 0 0 454.548 4.822 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCc3c2cccc3C(F)(F)F)cc1Br ZINC001463549361 1068438114 /nfs/dbraw/zinc/43/81/14/1068438114.db2.gz RETBQCOUYKWEFN-UHFFFAOYSA-N 0 0 450.276 4.618 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)Oc2ccc(C(C)=O)cc2Cl)cc1Cl ZINC001463556153 1068440196 /nfs/dbraw/zinc/44/01/96/1068440196.db2.gz DRYXLSVQKMJUFV-UHFFFAOYSA-N 0 0 454.125 4.735 20 0 JJADRN COc1cccc(CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 ZINC001463561506 1068443255 /nfs/dbraw/zinc/44/32/55/1068443255.db2.gz CZDDDUPBOCMBMK-MRXNPFEDSA-N 0 0 452.292 4.571 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[NH+](CC)CC ZINC001463562286 1068444422 /nfs/dbraw/zinc/44/44/22/1068444422.db2.gz RCBWGPLRGUYFFR-SFHVURJKSA-N 0 0 458.411 4.853 20 0 JJADRN CCNc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)s1 ZINC001463565098 1068446461 /nfs/dbraw/zinc/44/64/61/1068446461.db2.gz QSSXREXSIVNUAC-UHFFFAOYSA-N 0 0 450.973 4.590 20 0 JJADRN Cc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463566169 1068447501 /nfs/dbraw/zinc/44/75/01/1068447501.db2.gz XNGWNXBUEFBGDJ-YWZLYKJASA-N 0 0 450.988 4.983 20 0 JJADRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001463568839 1068448886 /nfs/dbraw/zinc/44/88/86/1068448886.db2.gz PPILDYPFXYJARE-JTQLQIEISA-N 0 0 454.392 4.587 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc2ncccc2c1 ZINC001463568874 1068448932 /nfs/dbraw/zinc/44/89/32/1068448932.db2.gz MZHPGOOTVIPYFG-JOCHJYFZSA-N 0 0 453.564 4.938 20 0 JJADRN Cc1c(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cccc1-c1ccccn1 ZINC001463569971 1068449689 /nfs/dbraw/zinc/44/96/89/1068449689.db2.gz MGVYZEMRQZBSIK-UHFFFAOYSA-N 0 0 456.409 4.839 20 0 JJADRN O=C1CCCc2cc(S(=O)(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)ccc2N1 ZINC001463573868 1068451810 /nfs/dbraw/zinc/45/18/10/1068451810.db2.gz SZWBBGWLQIPTCG-UHFFFAOYSA-N 0 0 450.963 4.544 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2Br)cc1Br ZINC001463578310 1068453086 /nfs/dbraw/zinc/45/30/86/1068453086.db2.gz OMYFMIYQKJFKNW-UHFFFAOYSA-N 0 0 453.583 4.999 20 0 JJADRN CC1(C)CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cc(Br)ccc21 ZINC001463577877 1068453137 /nfs/dbraw/zinc/45/31/37/1068453137.db2.gz GODXCNAEAVEGPX-UHFFFAOYSA-N 0 0 453.383 4.641 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@@H]3C)c2)cc1 ZINC001463579276 1068453664 /nfs/dbraw/zinc/45/36/64/1068453664.db2.gz ATJDBLQMCIVWMU-NWZZKEMCSA-N 0 0 458.580 4.515 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001463579487 1068453761 /nfs/dbraw/zinc/45/37/61/1068453761.db2.gz MSXZSFNABMNPSA-PMACEKPBSA-N 0 0 452.389 4.828 20 0 JJADRN O=S(=O)(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc2onc(Cl)c2c1 ZINC001463581344 1068455311 /nfs/dbraw/zinc/45/53/11/1068455311.db2.gz SIXLGNKRIPVWQL-MRXNPFEDSA-N 0 0 459.724 4.812 20 0 JJADRN COc1ccc(NC(C)=O)cc1N(C(C)C)S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC001463583062 1068456158 /nfs/dbraw/zinc/45/61/58/1068456158.db2.gz ZNSLOOPWTWDGEL-UHFFFAOYSA-N 0 0 453.973 4.520 20 0 JJADRN Cc1cc(NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC001463584231 1068456782 /nfs/dbraw/zinc/45/67/82/1068456782.db2.gz KFHATFNXSMGMNC-UHFFFAOYSA-N 0 0 453.907 4.612 20 0 JJADRN Cc1ccc(Sc2ccc(NC(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)cc2)c(C)c1 ZINC001463587418 1068457529 /nfs/dbraw/zinc/45/75/29/1068457529.db2.gz CNPIGBAVPAYUHO-UHFFFAOYSA-N 0 0 452.601 4.843 20 0 JJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1(C)COC(C)(C)OC1 ZINC001463586040 1068457583 /nfs/dbraw/zinc/45/75/83/1068457583.db2.gz JZOQLCHVAUCXKF-UHFFFAOYSA-N 0 0 453.970 4.940 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001463595440 1068459541 /nfs/dbraw/zinc/45/95/41/1068459541.db2.gz FUKFCSSVNZTRIH-QHCPKHFHSA-N 0 0 458.624 4.849 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)NCc2ccccc2C)cc1 ZINC001463594126 1068459564 /nfs/dbraw/zinc/45/95/64/1068459564.db2.gz YMWBGPYUTVHVDJ-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc3ccccc32)c(C)c1C ZINC001463595632 1068460141 /nfs/dbraw/zinc/46/01/41/1068460141.db2.gz MXYCSHRXJKPVGA-NRFANRHFSA-N 0 0 452.620 4.928 20 0 JJADRN C/C=C(/C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1 ZINC001463595500 1068460241 /nfs/dbraw/zinc/46/02/41/1068460241.db2.gz MCGCNCDKVSSQEQ-PQMHYQBVSA-N 0 0 453.358 4.553 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2cccc(CC)c2)cc1 ZINC001463596574 1068460292 /nfs/dbraw/zinc/46/02/92/1068460292.db2.gz KSTNFSXRWFNVDW-QHCPKHFHSA-N 0 0 458.624 4.794 20 0 JJADRN COC(C)(C)CS(=O)(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001463601395 1068461787 /nfs/dbraw/zinc/46/17/87/1068461787.db2.gz ZYPBVXHFMIZICW-HXUWFJFHSA-N 0 0 459.530 4.902 20 0 JJADRN O=S(=O)(Oc1cc(Br)cc(F)c1F)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001463604599 1068462577 /nfs/dbraw/zinc/46/25/77/1068462577.db2.gz DLUNMFVZEVPWQL-UHFFFAOYSA-N 0 0 455.635 4.662 20 0 JJADRN O=C(Nc1cccc(I)c1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001463609470 1068464734 /nfs/dbraw/zinc/46/47/34/1068464734.db2.gz XAOANNYFTJHQGW-UHFFFAOYSA-N 0 0 458.177 4.816 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc12 ZINC001463610732 1068465473 /nfs/dbraw/zinc/46/54/73/1068465473.db2.gz OAWDKUXGAVSZSG-QGZVFWFLSA-N 0 0 454.548 4.577 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC001463610465 1068465521 /nfs/dbraw/zinc/46/55/21/1068465521.db2.gz VKDHSTGTABYNOG-JOCHJYFZSA-N 0 0 453.564 4.559 20 0 JJADRN O=S(=O)(NCc1nc(-c2cccc(F)c2)no1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001463614200 1068466940 /nfs/dbraw/zinc/46/69/40/1068466940.db2.gz SIDKBHUFRCFCCS-UHFFFAOYSA-N 0 0 459.886 4.800 20 0 JJADRN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N(CCc1ccccn1)Cc1ccncc1 ZINC001463614748 1068466952 /nfs/dbraw/zinc/46/69/52/1068466952.db2.gz VYYGCYQCGJDCBR-UHFFFAOYSA-N 0 0 453.511 4.522 20 0 JJADRN COC[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1 ZINC001463613840 1068466963 /nfs/dbraw/zinc/46/69/63/1068466963.db2.gz HLLLDSLAHWLCLD-IBGZPJMESA-N 0 0 454.773 4.922 20 0 JJADRN CN(CCOc1ccccc1C(C)(C)C)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001463616396 1068467710 /nfs/dbraw/zinc/46/77/10/1068467710.db2.gz DWUFCZVDNBXNSV-UHFFFAOYSA-N 0 0 450.910 4.751 20 0 JJADRN COCCOc1ccc(S(=O)(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)cc1C ZINC001463615528 1068467959 /nfs/dbraw/zinc/46/79/59/1068467959.db2.gz XSTWPIHIVJRHJO-UHFFFAOYSA-N 0 0 458.407 4.727 20 0 JJADRN Cc1cc(I)ccc1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001463617542 1068468483 /nfs/dbraw/zinc/46/84/83/1068468483.db2.gz VXYXSPPVPGCCAF-AWEZNQCLSA-N 0 0 458.340 4.575 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC001463619734 1068468590 /nfs/dbraw/zinc/46/85/90/1068468590.db2.gz DOZYUMGPLYSYCY-KRWDZBQOSA-N 0 0 455.555 4.922 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)c1 ZINC001463620843 1068469395 /nfs/dbraw/zinc/46/93/95/1068469395.db2.gz XPBDJHSRZUGAMZ-UHFFFAOYSA-N 0 0 456.391 4.879 20 0 JJADRN CC(C)c1nocc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001463621713 1068469970 /nfs/dbraw/zinc/46/99/70/1068469970.db2.gz XSYSSFAFAKTPPO-UHFFFAOYSA-N 0 0 453.442 4.870 20 0 JJADRN CC(C)(C)c1ccc2[nH]c(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)cc2c1 ZINC001463623072 1068470796 /nfs/dbraw/zinc/47/07/96/1068470796.db2.gz CXRPIANVUZRZQW-UHFFFAOYSA-N 0 0 451.548 4.789 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1OC ZINC001463624907 1068471445 /nfs/dbraw/zinc/47/14/45/1068471445.db2.gz HSZIAUMPLAWKIQ-NRFANRHFSA-N 0 0 451.972 4.687 20 0 JJADRN CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC001463627245 1068472762 /nfs/dbraw/zinc/47/27/62/1068472762.db2.gz RATYHHLVRWWQCE-UHFFFAOYSA-N 0 0 457.939 4.660 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(Br)co1 ZINC001463627146 1068473522 /nfs/dbraw/zinc/47/35/22/1068473522.db2.gz UUOKORJSTBNXGN-UHFFFAOYSA-N 0 0 455.717 4.749 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001463627851 1068473601 /nfs/dbraw/zinc/47/36/01/1068473601.db2.gz BFFWRPDSEZLSAD-UHFFFAOYSA-N 0 0 456.789 4.730 20 0 JJADRN CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)Cc1cc(C)ccc1Br ZINC001463630683 1068475077 /nfs/dbraw/zinc/47/50/77/1068475077.db2.gz FLZLPQIDMSNDFL-UHFFFAOYSA-N 0 0 459.333 4.762 20 0 JJADRN COCCN([C@H]1CC[C@@H](C)C1)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463631070 1068475498 /nfs/dbraw/zinc/47/54/98/1068475498.db2.gz PSOUPIOOJLBYQM-UZLBHIALSA-N 0 0 452.414 4.942 20 0 JJADRN CCCCOC(=O)c1c(F)cccc1OS(=O)(=O)c1cc(C)c(Br)s1 ZINC001463633561 1068476353 /nfs/dbraw/zinc/47/63/53/1068476353.db2.gz QEDBBMJCYMJEGM-UHFFFAOYSA-N 0 0 451.335 4.683 20 0 JJADRN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 ZINC001463634773 1068476873 /nfs/dbraw/zinc/47/68/73/1068476873.db2.gz DXJNPLHGJOUWAY-HXUWFJFHSA-N 0 0 451.430 4.913 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)cc2)cc1 ZINC001463637418 1068477646 /nfs/dbraw/zinc/47/76/46/1068477646.db2.gz YNRJUWFGYWOBIO-KSFYIVLOSA-N 0 0 456.589 4.746 20 0 JJADRN CCc1ccc(N(CC(C)C)S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001463646709 1068480158 /nfs/dbraw/zinc/48/01/58/1068480158.db2.gz BKYDMVMRLMQTID-QHCPKHFHSA-N 0 0 458.624 4.700 20 0 JJADRN CCc1ccc(N(CC(C)C)S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001463646707 1068480163 /nfs/dbraw/zinc/48/01/63/1068480163.db2.gz BKYDMVMRLMQTID-HSZRJFAPSA-N 0 0 458.624 4.700 20 0 JJADRN CCc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)cc1 ZINC001463646727 1068480191 /nfs/dbraw/zinc/48/01/91/1068480191.db2.gz BRLIJTGRHHSBCP-UHFFFAOYSA-N 0 0 454.386 4.649 20 0 JJADRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Br)nc(Br)c1 ZINC001463647917 1068480233 /nfs/dbraw/zinc/48/02/33/1068480233.db2.gz FAZGBRFKOMKDMP-UHFFFAOYSA-N 0 0 452.068 4.898 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001463649646 1068480889 /nfs/dbraw/zinc/48/08/89/1068480889.db2.gz OCHVTYASHFITCH-KRWDZBQOSA-N 0 0 454.290 4.960 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001463651140 1068480911 /nfs/dbraw/zinc/48/09/11/1068480911.db2.gz NTLPIXODWDFFOV-FPTDNZKUSA-N 0 0 454.564 4.632 20 0 JJADRN C[C@@H](NS(=O)(=O)CCc1ccccc1Br)c1ccc(OC(F)(F)F)cc1 ZINC001463652836 1068481551 /nfs/dbraw/zinc/48/15/51/1068481551.db2.gz HJHIZCYSXFOVNG-GFCCVEGCSA-N 0 0 452.292 4.571 20 0 JJADRN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c(Cl)cc(F)cc1Cl ZINC001463653615 1068482273 /nfs/dbraw/zinc/48/22/73/1068482273.db2.gz FUFROGWGCOFKPO-LKFCYVNXSA-N 0 0 457.123 4.869 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cn[nH]c1-c1ccsc1 ZINC001463653208 1068482392 /nfs/dbraw/zinc/48/23/92/1068482392.db2.gz KGQKSDQCDIJKKG-UHFFFAOYSA-N 0 0 458.952 4.845 20 0 JJADRN O=S(=O)(NCc1cccc(OCC(F)(F)F)n1)c1cccc(Sc2ccccc2)c1 ZINC001463653205 1068482427 /nfs/dbraw/zinc/48/24/27/1068482427.db2.gz DHZIRFSQINXSAU-UHFFFAOYSA-N 0 0 454.495 4.652 20 0 JJADRN CC[C@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001463653499 1068482520 /nfs/dbraw/zinc/48/25/20/1068482520.db2.gz XYSJUJWKWBLYNF-WDEREUQCSA-N 0 0 459.519 4.500 20 0 JJADRN Cc1ccc(Br)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC001463654853 1068482941 /nfs/dbraw/zinc/48/29/41/1068482941.db2.gz ILPRETOCZBHLMZ-UHFFFAOYSA-N 0 0 450.380 4.700 20 0 JJADRN O=C(c1cc(O)cc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463654902 1068483176 /nfs/dbraw/zinc/48/31/76/1068483176.db2.gz IXCLHVIHSKCLEL-UHFFFAOYSA-N 0 0 451.364 4.702 20 0 JJADRN O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CCCN1c1ccc(Cl)cc1Cl ZINC001463655745 1068483834 /nfs/dbraw/zinc/48/38/34/1068483834.db2.gz FFUAEWCNWHERCX-KAMXEHQASA-N 0 0 459.782 4.733 20 0 JJADRN O=C1[C@@H](NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CCCN1c1ccc(Cl)cc1Cl ZINC001463655738 1068483898 /nfs/dbraw/zinc/48/38/98/1068483898.db2.gz FFUAEWCNWHERCX-CCCPALQASA-N 0 0 459.782 4.733 20 0 JJADRN CCc1nc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)o1 ZINC001463658747 1068485116 /nfs/dbraw/zinc/48/51/16/1068485116.db2.gz LWMCBBGJYZAFKP-UHFFFAOYSA-N 0 0 454.335 4.905 20 0 JJADRN CC(C)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2Cl)cc1 ZINC001463657156 1068485135 /nfs/dbraw/zinc/48/51/35/1068485135.db2.gz FOKPNODCXZFCDG-UHFFFAOYSA-N 0 0 459.793 4.518 20 0 JJADRN C[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001463660225 1068485678 /nfs/dbraw/zinc/48/56/78/1068485678.db2.gz LVNACUJAZLANOP-ZDUSSCGKSA-N 0 0 458.349 4.569 20 0 JJADRN O=C(Cc1ccc(O)cc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463661256 1068486210 /nfs/dbraw/zinc/48/62/10/1068486210.db2.gz XDJRCPJGMYNSSE-UHFFFAOYSA-N 0 0 451.331 4.681 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001463661432 1068486254 /nfs/dbraw/zinc/48/62/54/1068486254.db2.gz LKEQLTVSTYGJHV-XAYKYTGQSA-N 0 0 456.605 4.661 20 0 JJADRN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001463661753 1068486326 /nfs/dbraw/zinc/48/63/26/1068486326.db2.gz DZXVVTPULJBARE-GXTWGEPZSA-N 0 0 451.919 4.548 20 0 JJADRN C[C@H](NS(=O)(=O)Cc1ccsc1Br)c1ccc(Oc2cccnc2)cc1 ZINC001463661840 1068486394 /nfs/dbraw/zinc/48/63/94/1068486394.db2.gz GQMQNZSDTPSYLD-ZDUSSCGKSA-N 0 0 453.383 4.879 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2cc(C)c(Br)c(C)c2C)c(F)cc1C ZINC001463665701 1068488494 /nfs/dbraw/zinc/48/84/94/1068488494.db2.gz FUWMFJVMDXEQQL-UHFFFAOYSA-N 0 0 459.333 4.766 20 0 JJADRN Cc1nc(C(F)(F)F)ccc1OS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463668195 1068489074 /nfs/dbraw/zinc/48/90/74/1068489074.db2.gz QHJHVYMEFZGWCV-UHFFFAOYSA-N 0 0 454.401 4.568 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001463670581 1068489111 /nfs/dbraw/zinc/48/91/11/1068489111.db2.gz WRBRDLOYHQHHMW-NRFANRHFSA-N 0 0 450.645 4.813 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)ccc2C)c1 ZINC001463672654 1068489736 /nfs/dbraw/zinc/48/97/36/1068489736.db2.gz CLCRPNZFZAZODB-YOFSQIOKSA-N 0 0 454.592 4.828 20 0 JJADRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC001463677110 1068491029 /nfs/dbraw/zinc/49/10/29/1068491029.db2.gz OIHKXEZUNYZPSZ-ZEQRLZLVSA-N 0 0 453.560 4.783 20 0 JJADRN COCCC[C@@H](CNS(=O)(=O)c1cscc1Br)c1ccc(Cl)cc1 ZINC001463677898 1068491132 /nfs/dbraw/zinc/49/11/32/1068491132.db2.gz VJFMDBVKYIMMKH-ZDUSSCGKSA-N 0 0 452.823 4.653 20 0 JJADRN CC(=O)Nc1ncc(S(=O)(=O)NCc2cccc(Oc3ccc4ccccc4c3)c2)s1 ZINC001463678988 1068491815 /nfs/dbraw/zinc/49/18/15/1068491815.db2.gz WXRIBHJLEASPJT-UHFFFAOYSA-N 0 0 453.545 4.526 20 0 JJADRN CCOC(=O)[C@H](CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)C(C)=O ZINC001463685297 1068492981 /nfs/dbraw/zinc/49/29/81/1068492981.db2.gz LXEXOLORCYOVNX-GOSISDBHSA-N 0 0 450.354 4.697 20 0 JJADRN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1nc(-c2cnccn2)no1 ZINC001463684256 1068493054 /nfs/dbraw/zinc/49/30/54/1068493054.db2.gz FBYRNNWFSCNACY-UHFFFAOYSA-N 0 0 454.309 4.693 20 0 JJADRN O=S(=O)(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001463692183 1068495420 /nfs/dbraw/zinc/49/54/20/1068495420.db2.gz ONYOMXXUURCLJM-AWEZNQCLSA-N 0 0 450.807 4.610 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)cc1I ZINC001463696026 1068497234 /nfs/dbraw/zinc/49/72/34/1068497234.db2.gz MWJIQGRJCYLUIB-LJQANCHMSA-N 0 0 452.311 4.732 20 0 JJADRN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC001463698759 1068497870 /nfs/dbraw/zinc/49/78/70/1068497870.db2.gz RCLYYIXFUYCWBJ-INIZCTEOSA-N 0 0 456.262 4.563 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c(Br)c1 ZINC001463697736 1068497897 /nfs/dbraw/zinc/49/78/97/1068497897.db2.gz KQKTZCHFQJLOMM-IUODEOHRSA-N 0 0 453.240 4.821 20 0 JJADRN COc1cc(OC)cc(S(=O)(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001463700248 1068499025 /nfs/dbraw/zinc/49/90/25/1068499025.db2.gz LQKJNDSEAKJJRA-UHFFFAOYSA-N 0 0 457.392 4.562 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463700157 1068499037 /nfs/dbraw/zinc/49/90/37/1068499037.db2.gz QCRSBXICTIYMGJ-CYBMUJFWSA-N 0 0 450.969 4.953 20 0 JJADRN CO[C@H](CS(=O)(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC001463701222 1068499218 /nfs/dbraw/zinc/49/92/18/1068499218.db2.gz OGJDPMWDKOJNHF-QGZVFWFLSA-N 0 0 455.420 4.874 20 0 JJADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001463701346 1068499874 /nfs/dbraw/zinc/49/98/74/1068499874.db2.gz PNBNGLHPKPGOCC-UHFFFAOYSA-N 0 0 455.424 4.857 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1Cl ZINC001463704417 1068500204 /nfs/dbraw/zinc/50/02/04/1068500204.db2.gz OQMHMAJJGRGMTF-GOSISDBHSA-N 0 0 459.980 4.616 20 0 JJADRN COc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1Cl ZINC001463704418 1068500255 /nfs/dbraw/zinc/50/02/55/1068500255.db2.gz OQMHMAJJGRGMTF-SFHVURJKSA-N 0 0 459.980 4.616 20 0 JJADRN C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CCN1C(=O)OC(C)(C)C ZINC001463704288 1068500342 /nfs/dbraw/zinc/50/03/42/1068500342.db2.gz ZLQCIMLGVGKRHU-IEBWSBKVSA-N 0 0 453.587 4.646 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)cc1Br ZINC001463703101 1068500440 /nfs/dbraw/zinc/50/04/40/1068500440.db2.gz ZCIJBNRGCLZYMX-BLLLJJGKSA-N 0 0 453.240 4.821 20 0 JJADRN C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1cccnc1 ZINC001463706710 1068500780 /nfs/dbraw/zinc/50/07/80/1068500780.db2.gz LESIMNNKVHCIFQ-OAHLLOKOSA-N 0 0 453.955 4.604 20 0 JJADRN Cc1ccc(-c2csc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c2-n2cccc2)cc1 ZINC001463708583 1068500927 /nfs/dbraw/zinc/50/09/27/1068500927.db2.gz FSVRRHBKSZBNSQ-UHFFFAOYSA-N 0 0 451.573 4.722 20 0 JJADRN O=C(CCCNC(=O)NC1CCCCC1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001463711534 1068502062 /nfs/dbraw/zinc/50/20/62/1068502062.db2.gz ZCNYDPUHGLUIMQ-UHFFFAOYSA-N 0 0 459.594 4.568 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(SC(F)(F)F)o2)c1 ZINC001463713507 1068502656 /nfs/dbraw/zinc/50/26/56/1068502656.db2.gz QOOIOGBRKNFWHQ-UHFFFAOYSA-N 0 0 456.467 4.969 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2nc1CC ZINC001463713181 1068502694 /nfs/dbraw/zinc/50/26/94/1068502694.db2.gz JWZLMCWHLVQKPO-UHFFFAOYSA-N 0 0 456.512 4.731 20 0 JJADRN Cc1ccc(CSCCNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1 ZINC001463717477 1068503702 /nfs/dbraw/zinc/50/37/02/1068503702.db2.gz IGXVGJXIFVNUAH-AREMUKBSSA-N 0 0 454.455 4.695 20 0 JJADRN COc1ccc(CN2CCN(C(=O)c3sc(-c4ccc(F)c(C)c4)nc3C)CC2)cc1F ZINC001463717267 1068503780 /nfs/dbraw/zinc/50/37/80/1068503780.db2.gz VTPYUGFBHIMQFZ-UHFFFAOYSA-N 0 0 457.546 4.672 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N(c1ccc(Br)cc1)C1CC1 ZINC001463719757 1068504183 /nfs/dbraw/zinc/50/41/83/1068504183.db2.gz BNSFXISGBIMZLK-UHFFFAOYSA-N 0 0 451.205 4.939 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463721035 1068504194 /nfs/dbraw/zinc/50/41/94/1068504194.db2.gz CPEXDCXEJMFVTA-MRVPVSSYSA-N 0 0 458.754 4.692 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc2c(c1)OCCO2 ZINC001463722480 1068504670 /nfs/dbraw/zinc/50/46/70/1068504670.db2.gz BURCNZQJSYDWEQ-HSZRJFAPSA-N 0 0 452.551 4.883 20 0 JJADRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001463723963 1068505337 /nfs/dbraw/zinc/50/53/37/1068505337.db2.gz LIPIWKZGFPPBOT-BKOMCJNNSA-N 0 0 454.379 4.553 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c(Cl)c1Cl ZINC001463725378 1068505340 /nfs/dbraw/zinc/50/53/40/1068505340.db2.gz OJSRPSGCHCZMSC-LBPRGKRZSA-N 0 0 454.416 4.817 20 0 JJADRN Cc1cc2cc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)oc2c(Br)c1 ZINC001463729703 1068506378 /nfs/dbraw/zinc/50/63/78/1068506378.db2.gz DARITYHHVBHXBD-UHFFFAOYSA-N 0 0 455.352 4.672 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC001463731581 1068506703 /nfs/dbraw/zinc/50/67/03/1068506703.db2.gz NKZIETIUWRZUDU-UHFFFAOYSA-N 0 0 456.542 4.850 20 0 JJADRN CN(C)c1cccc2c1cccc2S(=O)(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001463731568 1068506997 /nfs/dbraw/zinc/50/69/97/1068506997.db2.gz JJWCZRNWNIJBMW-QGZVFWFLSA-N 0 0 459.409 4.847 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1C ZINC001463730358 1068506908 /nfs/dbraw/zinc/50/69/08/1068506908.db2.gz ASFXHXKHVBNOIR-UHFFFAOYSA-N 0 0 454.951 4.562 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC001463740710 1068508557 /nfs/dbraw/zinc/50/85/57/1068508557.db2.gz AQXHUNMCQSFXRM-UHFFFAOYSA-N 0 0 453.516 4.940 20 0 JJADRN C[C@@](O)(C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1)c1ccc(F)cc1 ZINC001463738967 1068508572 /nfs/dbraw/zinc/50/85/72/1068508572.db2.gz XPZHEUABQDQJRX-DEOSSOPVSA-N 0 0 458.986 4.760 20 0 JJADRN CCOc1cccc2cc([C@H](C)NC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)oc21 ZINC001463739281 1068508651 /nfs/dbraw/zinc/50/86/51/1068508651.db2.gz VXXOKGMILZMZNY-HNNXBMFYSA-N 0 0 451.548 4.981 20 0 JJADRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CC1 ZINC001463742514 1068509870 /nfs/dbraw/zinc/50/98/70/1068509870.db2.gz GPCONCFAMQQSPC-AYOQOUSVSA-N 0 0 468.589 4.601 20 0 JJADRN O=C(NCCc1ccc2c(c1)OCO2)c1cccnc1Sc1ccc(Br)cc1 ZINC001463745326 1068510445 /nfs/dbraw/zinc/51/04/45/1068510445.db2.gz PFSYHUSDXGWCQA-UHFFFAOYSA-N 0 0 457.349 4.697 20 0 JJADRN COC(=O)Nc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c(Cl)c1 ZINC001463745761 1068510764 /nfs/dbraw/zinc/51/07/64/1068510764.db2.gz KMQXFYWXRJPICD-CQSZACIVSA-N 0 0 458.971 4.647 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@H]1c1cccc(Cl)c1 ZINC001463744712 1068510891 /nfs/dbraw/zinc/51/08/91/1068510891.db2.gz ZIZOZSDOLNZWMJ-GHTZIAJQSA-N 0 0 454.935 4.779 20 0 JJADRN CC[C@H](CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)NC(=O)OC(C)(C)C ZINC001463749913 1068511953 /nfs/dbraw/zinc/51/19/53/1068511953.db2.gz OUEVGJHSLSAOFD-OAHLLOKOSA-N 0 0 454.976 4.714 20 0 JJADRN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC001463749652 1068511968 /nfs/dbraw/zinc/51/19/68/1068511968.db2.gz TZCJILSODWMIGT-UHFFFAOYSA-N 0 0 452.816 4.704 20 0 JJADRN CCCc1ccc(-c2nc(NC(=O)CCc3ccc(S(=O)(=O)NC)cc3)sc2C)cc1 ZINC001463750164 1068512516 /nfs/dbraw/zinc/51/25/16/1068512516.db2.gz LZVMXYUATDDGLL-UHFFFAOYSA-N 0 0 457.621 4.550 20 0 JJADRN COc1ccc(C[C@H]2CCCN(S(=O)(=O)Cc3cccc(Br)c3C)C2)cc1 ZINC001463753350 1068512875 /nfs/dbraw/zinc/51/28/75/1068512875.db2.gz XJGIFMWEPUCYSH-GOSISDBHSA-N 0 0 452.414 4.551 20 0 JJADRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccc(C3CCCCC3)cc2)c1OC ZINC001463754433 1068513710 /nfs/dbraw/zinc/51/37/10/1068513710.db2.gz DWEVJPFKFPTWGW-UHFFFAOYSA-N 0 0 451.972 4.661 20 0 JJADRN CCc1nc(NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)sc1C ZINC001463754058 1068513721 /nfs/dbraw/zinc/51/37/21/1068513721.db2.gz PSNQJFDNACWDOF-MRXNPFEDSA-N 0 0 454.365 4.549 20 0 JJADRN O=S(=O)(NC[C@H]1CSc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001463758544 1068514799 /nfs/dbraw/zinc/51/47/99/1068514799.db2.gz IFAPHEPKJNXZGB-VIFPVBQESA-N 0 0 453.210 4.924 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC001463757533 1068514826 /nfs/dbraw/zinc/51/48/26/1068514826.db2.gz XDXRJCAZZZTMQE-QFIPXVFZSA-N 0 0 457.361 4.664 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc2ccccc2n1 ZINC001463762431 1068516394 /nfs/dbraw/zinc/51/63/94/1068516394.db2.gz HXOFGUVNFDTAJV-UHFFFAOYSA-N 0 0 451.773 4.661 20 0 JJADRN O=S(=O)(NC/C=C\c1ccc(Br)cc1)C1=Cc2cc(F)cc(Cl)c2OC1 ZINC001463763262 1068516656 /nfs/dbraw/zinc/51/66/56/1068516656.db2.gz RQIIBENUUNEVKG-UPHRSURJSA-N 0 0 458.736 4.608 20 0 JJADRN O=S(=O)(NCC1(c2ccc(Br)cc2Cl)CC1)c1cccc2cnccc21 ZINC001463765536 1068517211 /nfs/dbraw/zinc/51/72/11/1068517211.db2.gz NNVCSQARFJHHAD-UHFFFAOYSA-N 0 0 451.773 4.661 20 0 JJADRN O=S(=O)(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001463768909 1068518248 /nfs/dbraw/zinc/51/82/48/1068518248.db2.gz QWPITZYINAYKPC-AZUAARDMSA-N 0 0 459.505 4.966 20 0 JJADRN Cc1nc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c(-c2ccccc2)s1 ZINC001463773932 1068520343 /nfs/dbraw/zinc/52/03/43/1068520343.db2.gz IJAUNLTZEPCIAU-HNNXBMFYSA-N 0 0 457.577 4.505 20 0 JJADRN CC1(C)CN(c2ccc(Cl)cc2)CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001463774176 1068520961 /nfs/dbraw/zinc/52/09/61/1068520961.db2.gz CPNRHIKTWTVOCA-UHFFFAOYSA-N 0 0 450.885 4.787 20 0 JJADRN O=S(=O)(NC1(Cc2ccccc2Br)CC1)c1cc2nc(Cl)ccc2s1 ZINC001463777968 1068522056 /nfs/dbraw/zinc/52/20/56/1068522056.db2.gz QBIDEWWTSNKHJZ-UHFFFAOYSA-N 0 0 457.802 4.766 20 0 JJADRN O=C1CCc2cc(S(=O)(=O)N3CCCCC[C@H]3Cc3ccccc3Cl)c(F)cc2N1 ZINC001463780943 1068522494 /nfs/dbraw/zinc/52/24/94/1068522494.db2.gz BQZMEPFCJOEWKC-KRWDZBQOSA-N 0 0 450.963 4.540 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001463779800 1068522523 /nfs/dbraw/zinc/52/25/23/1068522523.db2.gz VLGNDGOGPLSAKM-INIZCTEOSA-N 0 0 455.352 4.769 20 0 JJADRN CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc2ccccc2n1 ZINC001463779473 1068522725 /nfs/dbraw/zinc/52/27/25/1068522725.db2.gz AYGSGUARAYKPOT-QFIPXVFZSA-N 0 0 458.027 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21 ZINC001463785158 1068523091 /nfs/dbraw/zinc/52/30/91/1068523091.db2.gz MEPVETPSMSFEKN-UHFFFAOYSA-N 0 0 454.951 4.645 20 0 JJADRN CCOC(=O)C(CC)(CC)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463782610 1068523260 /nfs/dbraw/zinc/52/32/60/1068523260.db2.gz FVRFKHPGNTTXIK-UHFFFAOYSA-N 0 0 454.386 4.516 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC001463785754 1068523670 /nfs/dbraw/zinc/52/36/70/1068523670.db2.gz TUHNRSVQVONIAS-IBGZPJMESA-N 0 0 457.368 4.911 20 0 JJADRN CC1(C)Cc2c(cccc2Br)[C@H]1NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC001463786350 1068523721 /nfs/dbraw/zinc/52/37/21/1068523721.db2.gz PWWSRXMHGSGKRD-MRXNPFEDSA-N 0 0 454.777 4.581 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c(C)c1 ZINC001463790721 1068525170 /nfs/dbraw/zinc/52/51/70/1068525170.db2.gz KEFWYVHRNWRPLT-LJQANCHMSA-N 0 0 457.514 4.872 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)C3=NOC4(C3)CCN(C(=O)OC(C)(C)C)CC4)cc2)cs1 ZINC001463799510 1068528442 /nfs/dbraw/zinc/52/84/42/1068528442.db2.gz LBTORACDHWIZOS-UHFFFAOYSA-N 0 0 456.568 4.603 20 0 JJADRN CSCC[C@H](NC(=O)c1cc2c(ccc(C)c2Br)[nH]1)c1nnc2ccccn21 ZINC001463800664 1068529047 /nfs/dbraw/zinc/52/90/47/1068529047.db2.gz QUSXYJOMBLACJW-HNNXBMFYSA-N 0 0 458.385 4.506 20 0 JJADRN COc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1Cl ZINC001463800726 1068529564 /nfs/dbraw/zinc/52/95/64/1068529564.db2.gz MUVZWVYKOIQUDQ-UHFFFAOYSA-N 0 0 457.908 4.569 20 0 JJADRN C[C@H]1C(=O)CC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)C ZINC001463800709 1068529778 /nfs/dbraw/zinc/52/97/78/1068529778.db2.gz MPDAROHSZAJABV-MBSDFSHPSA-N 0 0 454.561 4.840 20 0 JJADRN Cc1nc(CCCC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1 ZINC001463802504 1068530681 /nfs/dbraw/zinc/53/06/81/1068530681.db2.gz WBPSAJRNWLWXJS-UHFFFAOYSA-N 0 0 455.574 4.986 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001463804731 1068531318 /nfs/dbraw/zinc/53/13/18/1068531318.db2.gz GTZTYHBVJTZTQR-GIWBLDEGSA-N 0 0 474.623 4.503 20 0 JJADRN CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001463804705 1068531407 /nfs/dbraw/zinc/53/14/07/1068531407.db2.gz GTZTYHBVJTZTQR-FUPPJEDESA-N 0 0 474.623 4.503 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)cc2N1 ZINC001463808435 1068532349 /nfs/dbraw/zinc/53/23/49/1068532349.db2.gz NIXLUCMEFOPKJK-LJQANCHMSA-N 0 0 459.782 4.961 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@H](C)C(c3ccccc3)c3ccccc3)cc2C=O)cc1 ZINC001463809876 1068532675 /nfs/dbraw/zinc/53/26/75/1068532675.db2.gz VXEAEJKFOFXUAY-HXUWFJFHSA-N 0 0 453.542 4.708 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001463809253 1068532737 /nfs/dbraw/zinc/53/27/37/1068532737.db2.gz JEELCFUUVLUFOR-NNMXDRDESA-N 0 0 456.608 4.975 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001463809572 1068532811 /nfs/dbraw/zinc/53/28/11/1068532811.db2.gz RRFPUTZFYMOZSD-ZDUSSCGKSA-N 0 0 456.214 4.783 20 0 JJADRN O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@@H]1CCCN(CC(F)F)C1 ZINC001463809363 1068532936 /nfs/dbraw/zinc/53/29/36/1068532936.db2.gz LJSRGLCACAJWNU-MRXNPFEDSA-N 0 0 453.327 4.944 20 0 JJADRN O=S(=O)(Cc1ncsc1Br)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001463809568 1068532972 /nfs/dbraw/zinc/53/29/72/1068532972.db2.gz RRFPUTZFYMOZSD-CYBMUJFWSA-N 0 0 456.214 4.783 20 0 JJADRN C[C@@H](NC(=O)c1cccc(I)c1N)C(c1ccccc1)c1ccccc1 ZINC001463811046 1068533201 /nfs/dbraw/zinc/53/32/01/1068533201.db2.gz XLTKLLSMGJJTMC-OAHLLOKOSA-N 0 0 456.327 4.824 20 0 JJADRN CN1CCc2c(cccc2S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Br)C1 ZINC001463811594 1068533337 /nfs/dbraw/zinc/53/33/37/1068533337.db2.gz YYHBQBHGVUWYMI-UHFFFAOYSA-N 0 0 451.169 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC001463813350 1068533909 /nfs/dbraw/zinc/53/39/09/1068533909.db2.gz XEDGRQDNPWFFHU-VWLOTQADSA-N 0 0 456.608 4.765 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3ccc(-c4nccs4)cc3)cs2)c1 ZINC001463812745 1068534141 /nfs/dbraw/zinc/53/41/41/1068534141.db2.gz UFCFIAFVEPUUIP-UHFFFAOYSA-N 0 0 450.545 4.714 20 0 JJADRN CC(C)Cc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)N(C)C)cc1 ZINC001463819424 1068535094 /nfs/dbraw/zinc/53/50/94/1068535094.db2.gz BUESKLFLAGRYAI-OAQYLSRUSA-N 0 0 458.546 4.506 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001463823331 1068536492 /nfs/dbraw/zinc/53/64/92/1068536492.db2.gz CTJDMSSQFVCVIA-HDJSIYSDSA-N 0 0 451.416 4.603 20 0 JJADRN Cc1ccc(NC(=O)c2ccnc3ccncc32)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001463825402 1068537230 /nfs/dbraw/zinc/53/72/30/1068537230.db2.gz FCXMTGIVVHQSQS-UHFFFAOYSA-N 0 0 452.923 4.645 20 0 JJADRN Cc1c(Br)ccc2c1N(S(=O)(=O)Cc1ccc(Br)cc1)CCC2 ZINC001463832083 1068540096 /nfs/dbraw/zinc/54/00/96/1068540096.db2.gz CPASNCZHEVMFOZ-UHFFFAOYSA-N 0 0 459.203 4.803 20 0 JJADRN Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2F)c1 ZINC001463834439 1068541042 /nfs/dbraw/zinc/54/10/42/1068541042.db2.gz ZTYQMNZLAMEXCX-SNVBAGLBSA-N 0 0 451.155 4.699 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)OCc2cccc(Cl)c2)CC1 ZINC001463833731 1068541256 /nfs/dbraw/zinc/54/12/56/1068541256.db2.gz PYBFEYNGFIOUSB-UXHICEINSA-N 0 0 452.979 4.761 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CCCC1 ZINC001546142127 1068542901 /nfs/dbraw/zinc/54/29/01/1068542901.db2.gz DCWBNOPQLSSNSH-NHCUHLMSSA-N 0 0 459.679 4.521 20 0 JJADRN Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2Br)ccc1Br ZINC001463838935 1068543053 /nfs/dbraw/zinc/54/30/53/1068543053.db2.gz INYGLPJXLUOFTN-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463841288 1068544121 /nfs/dbraw/zinc/54/41/21/1068544121.db2.gz GFKMMXDDHSMVDW-IEBWSBKVSA-N 0 0 457.036 4.839 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC001463842119 1068544739 /nfs/dbraw/zinc/54/47/39/1068544739.db2.gz IHGARPWQWSKJFV-QFIPXVFZSA-N 0 0 458.436 4.746 20 0 JJADRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)o1 ZINC001463845071 1068546052 /nfs/dbraw/zinc/54/60/52/1068546052.db2.gz YZBRUKDHVANTSC-UZLBHIALSA-N 0 0 457.523 4.905 20 0 JJADRN O=C(OCc1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC001463844620 1068546065 /nfs/dbraw/zinc/54/60/65/1068546065.db2.gz KTHZSBUYUXOGOO-JOCHJYFZSA-N 0 0 456.970 4.759 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC001463850390 1068547613 /nfs/dbraw/zinc/54/76/13/1068547613.db2.gz QFVYWPOVOXOKSP-UHFFFAOYSA-N 0 0 456.011 4.684 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Oc2ccc(Br)c(Cl)c2)c1 ZINC001463854228 1068548188 /nfs/dbraw/zinc/54/81/88/1068548188.db2.gz FVXAGGNFSUAFBY-UHFFFAOYSA-N 0 0 454.125 4.619 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC001463863098 1068549713 /nfs/dbraw/zinc/54/97/13/1068549713.db2.gz QEZDAKGGZPTSMS-SFHVURJKSA-N 0 0 458.400 4.831 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1nc2ccccc2n1C(F)F ZINC001463862423 1068549938 /nfs/dbraw/zinc/54/99/38/1068549938.db2.gz QIZOATIDNNNPEG-BEFAXECRSA-N 0 0 456.493 4.656 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001463866557 1068550737 /nfs/dbraw/zinc/55/07/37/1068550737.db2.gz HIHBSDIFYQSKNJ-IHPCNDPISA-N 0 0 457.036 4.685 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001463866563 1068550840 /nfs/dbraw/zinc/55/08/40/1068550840.db2.gz HIHBSDIFYQSKNJ-RLLQIKCJSA-N 0 0 457.036 4.685 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(Br)s1)Cc1ccccc1 ZINC001463865427 1068551040 /nfs/dbraw/zinc/55/10/40/1068551040.db2.gz WISAUDRKEYZKGT-OAHLLOKOSA-N 0 0 453.402 4.653 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC001463872846 1068552298 /nfs/dbraw/zinc/55/22/98/1068552298.db2.gz GSZJMQYUEGCYST-NLFFAJNJSA-N 0 0 458.530 4.806 20 0 JJADRN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001463872609 1068552496 /nfs/dbraw/zinc/55/24/96/1068552496.db2.gz VJSMEJAHBRFGLB-IEBWSBKVSA-N 0 0 458.349 4.616 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC001463875260 1068553416 /nfs/dbraw/zinc/55/34/16/1068553416.db2.gz WMZVOTGBENNUCE-HSZRJFAPSA-N 0 0 452.551 4.590 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@H]2C)CCOCC1 ZINC001546142400 1068553445 /nfs/dbraw/zinc/55/34/45/1068553445.db2.gz JKFQOMCVGBWRFH-PWRODBHTSA-N 0 0 475.678 4.834 20 0 JJADRN COc1ccc(NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccncc1 ZINC001463876331 1068553522 /nfs/dbraw/zinc/55/35/22/1068553522.db2.gz XYLWSNZESFZBFK-HXUWFJFHSA-N 0 0 457.571 4.937 20 0 JJADRN CC(C)c1ccc([C@@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001463877265 1068553941 /nfs/dbraw/zinc/55/39/41/1068553941.db2.gz UGKRDMWYCUDOMA-NTKDMRAZSA-N 0 0 455.601 4.702 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccnc1SC(F)(F)F ZINC001463881954 1068554472 /nfs/dbraw/zinc/55/44/72/1068554472.db2.gz OBWXWONYGJYCBL-UHFFFAOYSA-N 0 0 453.467 4.747 20 0 JJADRN Cn1nc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(Br)c1C(F)(F)F ZINC001463882856 1068555043 /nfs/dbraw/zinc/55/50/43/1068555043.db2.gz FLTPDOBKVBCUFW-UHFFFAOYSA-N 0 0 455.278 4.703 20 0 JJADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](c3ccc(CC)cc3)C(C)C)cc(C(C)C)nc21 ZINC001463886646 1068555613 /nfs/dbraw/zinc/55/56/13/1068555613.db2.gz DAKDZLUCZQJDRQ-JOCHJYFZSA-N 0 0 450.583 4.720 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC001463886884 1068555732 /nfs/dbraw/zinc/55/57/32/1068555732.db2.gz OMNXXSMKQZIPRG-UHFFFAOYSA-N 0 0 452.595 4.761 20 0 JJADRN Cc1cc([C@H](CC(=O)Nc2ccc(N3CCCC3)nc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001463887114 1068556049 /nfs/dbraw/zinc/55/60/49/1068556049.db2.gz PLNLFCHZPNGITP-SFHVURJKSA-N 0 0 459.978 4.633 20 0 JJADRN COc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)C(C)C)cc1 ZINC001463889512 1068556768 /nfs/dbraw/zinc/55/67/68/1068556768.db2.gz JXUJXNFPSGTZDO-XMMPIXPASA-N 0 0 452.576 4.932 20 0 JJADRN O=S(=O)(Oc1cc(C(F)(F)F)ccc1F)c1cnc2c(Br)csc2c1 ZINC001463894179 1068557589 /nfs/dbraw/zinc/55/75/89/1068557589.db2.gz NRTKNBMTECXKON-UHFFFAOYSA-N 0 0 456.236 4.984 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1Br ZINC001463892686 1068557604 /nfs/dbraw/zinc/55/76/04/1068557604.db2.gz CPANQCGRFQRATJ-MRXNPFEDSA-N 0 0 454.162 4.682 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)Cc2cccc(Br)c2C)c2ccco2)cc1 ZINC001463893399 1068557731 /nfs/dbraw/zinc/55/77/31/1068557731.db2.gz KRRVOLMMHSAPBA-FQEVSTJZSA-N 0 0 450.354 4.568 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001463894383 1068558229 /nfs/dbraw/zinc/55/82/29/1068558229.db2.gz KTMKGKXGHBTEGP-AZUAARDMSA-N 0 0 450.645 4.621 20 0 JJADRN O=C(CCC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1cc(Cl)sc1Cl ZINC001463895143 1068558286 /nfs/dbraw/zinc/55/82/86/1068558286.db2.gz DGIHPHATVFTBGS-CYBMUJFWSA-N 0 0 455.411 4.742 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463897143 1068558680 /nfs/dbraw/zinc/55/86/80/1068558680.db2.gz MSFCXXSHEKZIOO-XMSQKQJNSA-N 0 0 451.567 4.763 20 0 JJADRN Cn1c2ccccc2c2cc(S(=O)(=O)N3CCC[C@H](CCC(=O)OC(C)(C)C)C3)ccc21 ZINC001463896485 1068558696 /nfs/dbraw/zinc/55/86/96/1068558696.db2.gz WNDNVLDJLGQUTQ-GOSISDBHSA-N 0 0 456.608 4.854 20 0 JJADRN C[C@](O)(C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)c(Br)c1 ZINC001463897814 1068558772 /nfs/dbraw/zinc/55/87/72/1068558772.db2.gz PAUUZTMIWDLEJW-JOCHJYFZSA-N 0 0 454.299 4.749 20 0 JJADRN Cc1ccc(Br)c(CNS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC001463900714 1068560145 /nfs/dbraw/zinc/56/01/45/1068560145.db2.gz ONOVQYJWTPFJOE-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(S(=O)(=O)c1ccc(OC(C)C)c3ccccc31)C2 ZINC001463901590 1068560492 /nfs/dbraw/zinc/56/04/92/1068560492.db2.gz ABMHLWHFRNKSAW-UHFFFAOYSA-N 0 0 455.576 4.998 20 0 JJADRN Cc1cc(S(=O)(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc(C)c1OCc1ccccc1 ZINC001463903240 1068560578 /nfs/dbraw/zinc/56/05/78/1068560578.db2.gz UOVZHEDGIRXDDS-IBGZPJMESA-N 0 0 459.608 4.766 20 0 JJADRN COc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C ZINC001463908913 1068562191 /nfs/dbraw/zinc/56/21/91/1068562191.db2.gz ZGYPWXKWRJVMOK-UHFFFAOYSA-N 0 0 450.560 4.706 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C)c1nccn1C ZINC001463911357 1068563024 /nfs/dbraw/zinc/56/30/24/1068563024.db2.gz TWQNUSWGQMBOJW-LJQANCHMSA-N 0 0 454.502 4.658 20 0 JJADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC001463913111 1068563697 /nfs/dbraw/zinc/56/36/97/1068563697.db2.gz GJYTYXCFZQUFSE-UHFFFAOYSA-N 0 0 452.473 4.508 20 0 JJADRN CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001463915646 1068564168 /nfs/dbraw/zinc/56/41/68/1068564168.db2.gz SJKPQWAJUZWDCX-LPHOPBHVSA-N 0 0 451.972 4.530 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Br)cc1O ZINC001463916795 1068564717 /nfs/dbraw/zinc/56/47/17/1068564717.db2.gz QWFMXIKDICUSDG-UHFFFAOYSA-N 0 0 450.720 4.509 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC001463915721 1068564767 /nfs/dbraw/zinc/56/47/67/1068564767.db2.gz NQFJLWDGFKMDDO-UHFFFAOYSA-N 0 0 458.278 4.911 20 0 JJADRN Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1S(=O)(=O)NC1CCCC1 ZINC001463919146 1068565600 /nfs/dbraw/zinc/56/56/00/1068565600.db2.gz LAZACDICXHIDMT-UHFFFAOYSA-N 0 0 454.514 4.507 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C)cc2)cc1 ZINC001463921281 1068565986 /nfs/dbraw/zinc/56/59/86/1068565986.db2.gz RZIYPECDXDEHSW-VGOFRKELSA-N 0 0 476.595 4.554 20 0 JJADRN COc1ccc2c(c1)C[C@H](C(C)C)CN2S(=O)(=O)Cc1cc(C)ccc1Br ZINC001463919711 1068566232 /nfs/dbraw/zinc/56/62/32/1068566232.db2.gz JABDXIVGAIYPBY-KRWDZBQOSA-N 0 0 452.414 4.931 20 0 JJADRN Cn1cc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)c(C(C)(C)C)n1 ZINC001463925758 1068567158 /nfs/dbraw/zinc/56/71/58/1068567158.db2.gz QOHACXSFWDAVQR-UHFFFAOYSA-N 0 0 454.434 4.618 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001463925796 1068567266 /nfs/dbraw/zinc/56/72/66/1068567266.db2.gz FDLNPJBEIVRPCC-QGZVFWFLSA-N 0 0 458.805 4.897 20 0 JJADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C=O)cc1)CC2 ZINC001463926818 1068567546 /nfs/dbraw/zinc/56/75/46/1068567546.db2.gz ZPBNYJMGXXRQSF-VOIUYBSRSA-N 0 0 451.544 4.519 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2csc(C3CCCCC3)c2)N2CCOCC2)cc1OC ZINC001463927508 1068567707 /nfs/dbraw/zinc/56/77/07/1068567707.db2.gz HBXYHNTWCMGWIV-NRFANRHFSA-N 0 0 458.624 4.616 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142754 1068568005 /nfs/dbraw/zinc/56/80/05/1068568005.db2.gz QHSDQHZUYGXSSV-PCCBWWKXSA-N 0 0 475.678 4.882 20 0 JJADRN O=S(=O)(c1c(Br)cc(F)cc1Br)N1CC[C@@H](C2CCCC2)C1 ZINC001463928859 1068568152 /nfs/dbraw/zinc/56/81/52/1068568152.db2.gz JRPFGRZAKQUXCI-LLVKDONJSA-N 0 0 455.187 4.552 20 0 JJADRN COc1ccc([C@@H](CNC(=O)[C@@H](C)N2CSCCSC2)c2c[nH]c3ccccc32)cc1 ZINC001463929484 1068568208 /nfs/dbraw/zinc/56/82/08/1068568208.db2.gz GAVVMTVXNWLRAO-DYESRHJHSA-N 0 0 455.649 4.510 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@H]1C(=O)OC(C)(C)C ZINC001463929626 1068568512 /nfs/dbraw/zinc/56/85/12/1068568512.db2.gz GMZVLBSSVWUDGM-RDTXWAMCSA-N 0 0 452.642 4.725 20 0 JJADRN COc1ccc(Cl)cc1C(C)(C)NS(=O)(=O)Cc1ccc(Br)cc1F ZINC001463930507 1068568567 /nfs/dbraw/zinc/56/85/67/1068568567.db2.gz DSEGULXHCSCFJW-UHFFFAOYSA-N 0 0 450.757 4.605 20 0 JJADRN O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)cc1 ZINC001463930593 1068568780 /nfs/dbraw/zinc/56/87/80/1068568780.db2.gz YAMYRIVTHPVGKL-HSZRJFAPSA-N 0 0 450.514 4.734 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC001463932539 1068569206 /nfs/dbraw/zinc/56/92/06/1068569206.db2.gz OQRXATVMSSITQG-QHCPKHFHSA-N 0 0 452.938 4.783 20 0 JJADRN O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCCCSc1ccc(F)cc1 ZINC001463939177 1068571096 /nfs/dbraw/zinc/57/10/96/1068571096.db2.gz OIPLKUVVGBJWPP-UHFFFAOYSA-N 0 0 450.605 4.742 20 0 JJADRN COc1ccc(CN(C)C(=O)c2ccccc2COc2cccc(C=O)c2)cc1OC(F)F ZINC001463940134 1068571108 /nfs/dbraw/zinc/57/11/08/1068571108.db2.gz RTJMPKRNOLPUNE-UHFFFAOYSA-N 0 0 455.457 4.960 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001463940947 1068571254 /nfs/dbraw/zinc/57/12/54/1068571254.db2.gz HJGQMHJNQMEKIG-UHFFFAOYSA-N 0 0 453.583 4.553 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001463940238 1068571343 /nfs/dbraw/zinc/57/13/43/1068571343.db2.gz DKIWQTKYEPQVBR-JOCHJYFZSA-N 0 0 453.583 4.828 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(Cc2c(C)cccc2C)CC(C)C)cnc1C(F)F ZINC001463942434 1068571801 /nfs/dbraw/zinc/57/18/01/1068571801.db2.gz RQDGCWQKMXGVIW-UHFFFAOYSA-N 0 0 454.539 4.660 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)NCc2cc(Cl)ccc2Br)c1 ZINC001463946773 1068572142 /nfs/dbraw/zinc/57/21/42/1068572142.db2.gz FNZWZUFBFSINFK-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN COc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC001463945276 1068572286 /nfs/dbraw/zinc/57/22/86/1068572286.db2.gz VLYQZKTZQAJFDZ-UHFFFAOYSA-N 0 0 458.002 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2Cl)CC1)Cc1ccccc1 ZINC001463947618 1068572364 /nfs/dbraw/zinc/57/23/64/1068572364.db2.gz FVJIOTKRVIEGQX-HXUWFJFHSA-N 0 0 458.002 4.515 20 0 JJADRN C[C@@H](CNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1)CC(F)F ZINC001463949359 1068572671 /nfs/dbraw/zinc/57/26/71/1068572671.db2.gz RGMHJRZJEZXBMF-LLVKDONJSA-N 0 0 452.292 4.950 20 0 JJADRN O=S(=O)(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(Br)cc1F ZINC001463953590 1068573649 /nfs/dbraw/zinc/57/36/49/1068573649.db2.gz FHPQKDCBXINOTK-LBPRGKRZSA-N 0 0 457.752 4.559 20 0 JJADRN CCc1nc(C(C)C)ccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC001463954697 1068574379 /nfs/dbraw/zinc/57/43/79/1068574379.db2.gz WYGIWGOSOCXLOU-MOSHPQCFSA-N 0 0 457.983 4.887 20 0 JJADRN COCCN(Cc1ccccc1)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001463954733 1068574445 /nfs/dbraw/zinc/57/44/45/1068574445.db2.gz FGHRQGCGNNJZAO-JOCHJYFZSA-N 0 0 452.551 4.544 20 0 JJADRN COc1ccc(Oc2ccc(S(=O)(=O)NCC[C@H]3CSc4ccccc4O3)cc2)cc1 ZINC001463955569 1068574889 /nfs/dbraw/zinc/57/48/89/1068574889.db2.gz KIFLYGHBBXRJKT-FQEVSTJZSA-N 0 0 457.573 4.709 20 0 JJADRN C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC001463962927 1068575960 /nfs/dbraw/zinc/57/59/60/1068575960.db2.gz STMQVWGCSBQHPT-QAPCUYQASA-N 0 0 458.020 4.507 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H]1c1ccccc1 ZINC001463963563 1068576384 /nfs/dbraw/zinc/57/63/84/1068576384.db2.gz VSWYFFPGBANWOX-VQTJNVASSA-N 0 0 470.616 4.556 20 0 JJADRN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)c(N)c1F ZINC001463966050 1068577105 /nfs/dbraw/zinc/57/71/05/1068577105.db2.gz OHPUOEKKMMYOQS-HXUWFJFHSA-N 0 0 458.415 4.831 20 0 JJADRN Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CCOc3ccc(C(C)C)cc3)C2=O)cc1 ZINC001463968785 1068577689 /nfs/dbraw/zinc/57/76/89/1068577689.db2.gz CNNCXOPUACEMEC-JWGURIENSA-N 0 0 452.576 4.740 20 0 JJADRN CCc1ccccc1CC(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC001463968395 1068577703 /nfs/dbraw/zinc/57/77/03/1068577703.db2.gz PSMOSWVROQEEBS-UHFFFAOYSA-N 0 0 455.352 4.815 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)cc1C(C)C ZINC001463972798 1068578999 /nfs/dbraw/zinc/57/89/99/1068578999.db2.gz ORMGCGILUDPLET-FCHUYYIVSA-N 0 0 480.026 4.830 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc3sccc32)c(F)cc1Br ZINC001463972717 1068579106 /nfs/dbraw/zinc/57/91/06/1068579106.db2.gz ODSRXZQKYPEVAL-UHFFFAOYSA-N 0 0 459.314 4.747 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc(C)c1OCc1ccccc1 ZINC001463975183 1068579857 /nfs/dbraw/zinc/57/98/57/1068579857.db2.gz HNZBYVKBGCJUEG-ICSRJNTNSA-N 0 0 457.514 4.661 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001463974508 1068579881 /nfs/dbraw/zinc/57/98/81/1068579881.db2.gz MPTXSVKKCNGGCE-UHFFFAOYSA-N 0 0 456.167 4.663 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc(C)c1OCc1ccccc1 ZINC001463975188 1068579886 /nfs/dbraw/zinc/57/98/86/1068579886.db2.gz HNZBYVKBGCJUEG-QUCCMNQESA-N 0 0 457.514 4.661 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)OCc2cccc(Cl)c2)C1 ZINC001463980720 1068580774 /nfs/dbraw/zinc/58/07/74/1068580774.db2.gz YGXGLSXEDYHHBG-VAMGGRTRSA-N 0 0 452.979 4.903 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)OCc2cccc(Cl)c2)C1 ZINC001463980705 1068580872 /nfs/dbraw/zinc/58/08/72/1068580872.db2.gz YGXGLSXEDYHHBG-AABGKKOBSA-N 0 0 452.979 4.903 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1Cl ZINC001463985620 1068581357 /nfs/dbraw/zinc/58/13/57/1068581357.db2.gz MOVAEWADHBFPDI-UHFFFAOYSA-N 0 0 451.416 4.617 20 0 JJADRN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001463984572 1068581516 /nfs/dbraw/zinc/58/15/16/1068581516.db2.gz HILBAVMIBMASFW-GUDVDZBRSA-N 0 0 454.361 4.580 20 0 JJADRN COc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC001463991222 1068582669 /nfs/dbraw/zinc/58/26/69/1068582669.db2.gz GQKOEVGZYGBVHT-LJQANCHMSA-N 0 0 452.938 4.616 20 0 JJADRN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001463992529 1068582992 /nfs/dbraw/zinc/58/29/92/1068582992.db2.gz QRCVDNVWRXILNA-IBGZPJMESA-N 0 0 451.954 4.574 20 0 JJADRN COc1ccc(-c2cc(NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)ccc2OC)cc1 ZINC001463991935 1068583060 /nfs/dbraw/zinc/58/30/60/1068583060.db2.gz SSJZTVJUXOLGKS-LJQANCHMSA-N 0 0 451.567 4.674 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)C2)c1 ZINC001463992040 1068583136 /nfs/dbraw/zinc/58/31/36/1068583136.db2.gz OGRNBIQOLYGVAM-HSZRJFAPSA-N 0 0 454.910 4.769 20 0 JJADRN CCc1cc(S(=O)(=O)Oc2cccc(CN3CCc4ccccc4C3)c2)c(C)cc1OC ZINC001463997194 1068583611 /nfs/dbraw/zinc/58/36/11/1068583611.db2.gz FKVAQGMEXNWRGM-UHFFFAOYSA-N 0 0 451.588 4.892 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001464001602 1068585510 /nfs/dbraw/zinc/58/55/10/1068585510.db2.gz YUUCSBABUNGHMV-XLIONFOSSA-N 0 0 452.661 4.997 20 0 JJADRN O=S(=O)(NC1(c2ccccc2Cl)CCC1)C1=Cc2cc(Br)ccc2OC1 ZINC001464001804 1068585546 /nfs/dbraw/zinc/58/55/46/1068585546.db2.gz YNWWMJCMVSTSNJ-UHFFFAOYSA-N 0 0 454.773 4.835 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001464001869 1068585612 /nfs/dbraw/zinc/58/56/12/1068585612.db2.gz ZYJOAWBTYHMNCN-XJKSGUPXSA-N 0 0 451.416 4.697 20 0 JJADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCCCN1CCc2ccccc21 ZINC001464003912 1068586093 /nfs/dbraw/zinc/58/60/93/1068586093.db2.gz ARMDSFXPIGLLPY-UHFFFAOYSA-N 0 0 459.974 4.878 20 0 JJADRN CC(=O)N1CCCc2cc(S(=O)(=O)Oc3cnc4c(ccc(Cl)c4Cl)c3)ccc21 ZINC001464004673 1068586226 /nfs/dbraw/zinc/58/62/26/1068586226.db2.gz XFWPVQSWJFIXDB-UHFFFAOYSA-N 0 0 451.331 4.608 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001464005202 1068586597 /nfs/dbraw/zinc/58/65/97/1068586597.db2.gz GLCHAAQHBAZAQE-UHFFFAOYSA-N 0 0 456.465 4.522 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)ccc1Br ZINC001464004697 1068586676 /nfs/dbraw/zinc/58/66/76/1068586676.db2.gz DDTRHUHTAMJBEU-GFCCVEGCSA-N 0 0 456.789 4.656 20 0 JJADRN CC(C)(C)OC(=O)[C@](C)(CNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001464012115 1068588196 /nfs/dbraw/zinc/58/81/96/1068588196.db2.gz XLLHTZCSHAHPMO-GOSISDBHSA-N 0 0 450.409 4.633 20 0 JJADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1 ZINC001464012303 1068588272 /nfs/dbraw/zinc/58/82/72/1068588272.db2.gz BBOZKOFVVQHRCC-AREMUKBSSA-N 0 0 457.534 4.799 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(Cc3cccs3)C3CC3)c(O)c2)c1 ZINC001464016631 1068590076 /nfs/dbraw/zinc/59/00/76/1068590076.db2.gz TVOBHRGPLLYXIO-UHFFFAOYSA-N 0 0 452.532 4.528 20 0 JJADRN C[C@@H](CC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1cccc(C(F)(F)F)c1 ZINC001464017971 1068590440 /nfs/dbraw/zinc/59/04/40/1068590440.db2.gz VUDAVRNIKGVRQJ-KRWDZBQOSA-N 0 0 458.484 4.593 20 0 JJADRN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@H](c4c(F)cccc4Cl)C3)s2)cs1 ZINC001464018568 1068590554 /nfs/dbraw/zinc/59/05/54/1068590554.db2.gz KXEQRGPVKRLJJY-HNNXBMFYSA-N 0 0 458.989 4.735 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2cccc(Oc3ccc(F)cc3)n2)cc1Br ZINC001464020712 1068591107 /nfs/dbraw/zinc/59/11/07/1068591107.db2.gz SYRIBOLOXDBEPK-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001464026949 1068592179 /nfs/dbraw/zinc/59/21/79/1068592179.db2.gz NPSAKTHOQYHMKG-OAQYLSRUSA-N 0 0 450.560 4.559 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC001464029685 1068593580 /nfs/dbraw/zinc/59/35/80/1068593580.db2.gz MRJQZRHXUMIKTE-INIZCTEOSA-N 0 0 456.358 4.909 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H]2CSCc3ccc(Br)cc32)c2ccccc2n1C ZINC001464031065 1068593912 /nfs/dbraw/zinc/59/39/12/1068593912.db2.gz RAELOTKFMZFHRI-QGZVFWFLSA-N 0 0 451.411 4.516 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC001464032229 1068594586 /nfs/dbraw/zinc/59/45/86/1068594586.db2.gz CSHLIKDZNDREOP-INIZCTEOSA-N 0 0 454.951 4.514 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCCC1 ZINC001464031959 1068594601 /nfs/dbraw/zinc/59/46/01/1068594601.db2.gz KLPSOLDWBJEWMU-UHFFFAOYSA-N 0 0 456.612 4.729 20 0 JJADRN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC001464032741 1068594632 /nfs/dbraw/zinc/59/46/32/1068594632.db2.gz VBMNYBJQVBHLOB-LLVKDONJSA-N 0 0 459.799 4.693 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC001464033581 1068594655 /nfs/dbraw/zinc/59/46/55/1068594655.db2.gz JAHMVXLLDWLESE-FQEVSTJZSA-N 0 0 458.502 4.553 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)C(C)C)cc1 ZINC001464033957 1068595144 /nfs/dbraw/zinc/59/51/44/1068595144.db2.gz OJZSPUGNIYESGH-NRFANRHFSA-N 0 0 453.004 4.625 20 0 JJADRN O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001464034758 1068595154 /nfs/dbraw/zinc/59/51/54/1068595154.db2.gz NTOKHQCDQSOSCF-UHFFFAOYSA-N 0 0 454.404 4.628 20 0 JJADRN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@@H](C)CCc4ccc(F)cc4)CC3)n2)cc1 ZINC001464037973 1068595873 /nfs/dbraw/zinc/59/58/73/1068595873.db2.gz MNBNXYIOEAFWEG-VQTJNVASSA-N 0 0 450.558 4.658 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1S(=O)(=O)/C=C/c1ccccc1Cl ZINC001464039789 1068596395 /nfs/dbraw/zinc/59/63/95/1068596395.db2.gz SXJDESQIMOADCZ-PQFMZYQVSA-N 0 0 456.789 4.865 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)cc1C(F)(F)F ZINC001464040321 1068597027 /nfs/dbraw/zinc/59/70/27/1068597027.db2.gz BYNPGWFNBHNEFO-UHFFFAOYSA-N 0 0 455.479 4.699 20 0 JJADRN O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC001464041808 1068597446 /nfs/dbraw/zinc/59/74/46/1068597446.db2.gz ACAZIVOXEFYDKJ-IBGZPJMESA-N 0 0 457.785 4.605 20 0 JJADRN C/C(=C/c1cccc(Cl)c1)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001464041292 1068597498 /nfs/dbraw/zinc/59/74/98/1068597498.db2.gz FMBGODAVOZFWNF-SSZFMOIBSA-N 0 0 457.361 4.791 20 0 JJADRN Cc1cccc2c1C[C@@H](C(=O)N1CCC([C@@H](O)c3ccccc3)CC1)N2C(=O)OC(C)(C)C ZINC001464042708 1068598158 /nfs/dbraw/zinc/59/81/58/1068598158.db2.gz MXZHOCFEHDZAND-ZEQRLZLVSA-N 0 0 450.579 4.633 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001464044867 1068598557 /nfs/dbraw/zinc/59/85/57/1068598557.db2.gz DWCPNOKIVMKMKU-UHFFFAOYSA-N 0 0 453.271 4.969 20 0 JJADRN CSc1ccccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001464047990 1068599589 /nfs/dbraw/zinc/59/95/89/1068599589.db2.gz BIJHWDZORTVLRF-RTBURBONSA-N 0 0 480.627 4.619 20 0 JJADRN O=S(=O)(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc(Cl)ccc1OCC1CCC1 ZINC001464048453 1068599766 /nfs/dbraw/zinc/59/97/66/1068599766.db2.gz VDZLLUXOGHMJKD-GOSISDBHSA-N 0 0 455.926 4.687 20 0 JJADRN CN(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001464051877 1068600405 /nfs/dbraw/zinc/60/04/05/1068600405.db2.gz KZYONIDWGMQSEP-UHFFFAOYSA-N 0 0 450.988 4.544 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)c1c(Cl)cccc1Cl ZINC001464050009 1068600452 /nfs/dbraw/zinc/60/04/52/1068600452.db2.gz UBGROEIZMUWIOE-UHFFFAOYSA-N 0 0 457.560 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)NCc3ccc(F)cc3F)s2)CC1 ZINC001464054606 1068601759 /nfs/dbraw/zinc/60/17/59/1068601759.db2.gz KEQIUZWSDMWFJR-UHFFFAOYSA-N 0 0 451.539 4.541 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc21 ZINC001464055838 1068601767 /nfs/dbraw/zinc/60/17/67/1068601767.db2.gz MROXJYIYKAKYDS-GOSISDBHSA-N 0 0 454.773 4.576 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2sc(C)cc2Br)c2ccccc2)cc1 ZINC001464056827 1068601840 /nfs/dbraw/zinc/60/18/40/1068601840.db2.gz KXPZUQWEYFADBO-SFHVURJKSA-N 0 0 452.395 4.896 20 0 JJADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NCc2c(F)cccc2Cl)cc1 ZINC001464057641 1068602237 /nfs/dbraw/zinc/60/22/37/1068602237.db2.gz STUNFCPYFKTEQY-UHFFFAOYSA-N 0 0 450.938 4.632 20 0 JJADRN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1 ZINC001464062918 1068603017 /nfs/dbraw/zinc/60/30/17/1068603017.db2.gz ILXAJAYCWVRMDE-UHFFFAOYSA-N 0 0 456.568 4.680 20 0 JJADRN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC001464065575 1068603520 /nfs/dbraw/zinc/60/35/20/1068603520.db2.gz IOWAKKJSXCCWND-SFHVURJKSA-N 0 0 451.592 4.954 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCc2ccccc2F)CC1 ZINC001546144000 1068603561 /nfs/dbraw/zinc/60/35/61/1068603561.db2.gz AMBQCGGAUBVLOF-OAQYLSRUSA-N 0 0 487.620 4.595 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)C1 ZINC001464067251 1068604200 /nfs/dbraw/zinc/60/42/00/1068604200.db2.gz UEBLXWMMWKYMGV-NRFANRHFSA-N 0 0 458.624 4.888 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C[C@@H]1[C@@H]1CCCO1 ZINC001464069319 1068604240 /nfs/dbraw/zinc/60/42/40/1068604240.db2.gz ZOIZBGVCRRHRCP-BWAGFHJFSA-N 0 0 458.555 4.596 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCOc3ccc4ccccc4c3)CCCC2)c1 ZINC001464069915 1068604997 /nfs/dbraw/zinc/60/49/97/1068604997.db2.gz UTFIMKWWYBPREN-UHFFFAOYSA-N 0 0 451.588 4.738 20 0 JJADRN C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(NC(=O)C2CC2)cc1 ZINC001464072825 1068605659 /nfs/dbraw/zinc/60/56/59/1068605659.db2.gz XXLPWMZCIVCCSC-QMMMGPOBSA-N 0 0 459.237 4.845 20 0 JJADRN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001464077539 1068607744 /nfs/dbraw/zinc/60/77/44/1068607744.db2.gz MLPXRGVJDXJVBL-UHFFFAOYSA-N 0 0 451.280 4.984 20 0 JJADRN CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC001464079061 1068607774 /nfs/dbraw/zinc/60/77/74/1068607774.db2.gz LHHSIRSUKBMKEL-ZDUSSCGKSA-N 0 0 451.880 4.853 20 0 JJADRN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)c1c(Cl)ccnc1Br ZINC001464085519 1068609235 /nfs/dbraw/zinc/60/92/35/1068609235.db2.gz HRRCJXRLCZHMGV-UHFFFAOYSA-N 0 0 456.771 4.990 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001464086166 1068609681 /nfs/dbraw/zinc/60/96/81/1068609681.db2.gz AYERRVXFZOTFSP-PSRGHPOCSA-N 0 0 456.464 4.586 20 0 JJADRN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001464086167 1068609711 /nfs/dbraw/zinc/60/97/11/1068609711.db2.gz AYERRVXFZOTFSP-STCFGPAYSA-N 0 0 456.464 4.586 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cnc(Br)n2CC)c1)C(=O)OC(C)(C)C ZINC001464086903 1068610317 /nfs/dbraw/zinc/61/03/17/1068610317.db2.gz GJVFWBKDHOHJDF-UHFFFAOYSA-N 0 0 451.365 4.675 20 0 JJADRN CN(Cc1cccc(NC(=O)c2cc(Br)c(F)cc2N)c1)C(=O)OC(C)(C)C ZINC001464089504 1068610841 /nfs/dbraw/zinc/61/08/41/1068610841.db2.gz SXRVUNGOOACXHP-UHFFFAOYSA-N 0 0 452.324 4.790 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1C(C)C ZINC001464093124 1068612045 /nfs/dbraw/zinc/61/20/45/1068612045.db2.gz RCKFGSPLTRQKEI-FCHUYYIVSA-N 0 0 453.645 4.630 20 0 JJADRN CCOCCOc1ccc(S(=O)(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1C(C)C ZINC001464093130 1068612065 /nfs/dbraw/zinc/61/20/65/1068612065.db2.gz RCKFGSPLTRQKEI-VXKWHMMOSA-N 0 0 453.645 4.630 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001464092392 1068612117 /nfs/dbraw/zinc/61/21/17/1068612117.db2.gz WBXXRWUIBRJFMW-UHFFFAOYSA-N 0 0 452.345 4.944 20 0 JJADRN CC(C)C(=O)Nc1ccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001464096426 1068613396 /nfs/dbraw/zinc/61/33/96/1068613396.db2.gz PHSABLWYMHTCKT-UHFFFAOYSA-N 0 0 456.612 4.723 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1SC1CCCC1 ZINC001464098263 1068614605 /nfs/dbraw/zinc/61/46/05/1068614605.db2.gz BZKGMPIVIOLPOF-UHFFFAOYSA-N 0 0 459.420 4.945 20 0 JJADRN C[C@@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102710 1068616014 /nfs/dbraw/zinc/61/60/14/1068616014.db2.gz KBXASVGUMFRMNQ-KDOFPFPSSA-N 0 0 451.386 4.558 20 0 JJADRN CC(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(C(C)C)c1 ZINC001464102704 1068616214 /nfs/dbraw/zinc/61/62/14/1068616214.db2.gz TWYINLBJSLJMBJ-UHFFFAOYSA-N 0 0 453.402 4.613 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)N[C@H]3CCC[C@H]3Cc3cnn(C)c3)cc2)cc1 ZINC001464105526 1068617501 /nfs/dbraw/zinc/61/75/01/1068617501.db2.gz FWZPQRLVNVKYEE-MBSDFSHPSA-N 0 0 457.621 4.624 20 0 JJADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC001464110128 1068618103 /nfs/dbraw/zinc/61/81/03/1068618103.db2.gz WMAFZSORNXSKST-CEYNDMKZSA-N 0 0 450.579 4.625 20 0 JJADRN O=S(=O)(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC001464113602 1068619461 /nfs/dbraw/zinc/61/94/61/1068619461.db2.gz VQIJXICSULNIAO-IUODEOHRSA-N 0 0 459.795 4.572 20 0 JJADRN C[C@@H](CSCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001464112488 1068619510 /nfs/dbraw/zinc/61/95/10/1068619510.db2.gz RNCVQHDMTHVLBU-KRWDZBQOSA-N 0 0 450.526 4.559 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC001464114900 1068619925 /nfs/dbraw/zinc/61/99/25/1068619925.db2.gz VVEVSUUXORMZLY-QFIPXVFZSA-N 0 0 453.564 4.790 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001464116474 1068620569 /nfs/dbraw/zinc/62/05/69/1068620569.db2.gz OAMUMAFOZRVRQY-QFIPXVFZSA-N 0 0 451.954 4.926 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc1C(C)C ZINC001464119566 1068621112 /nfs/dbraw/zinc/62/11/12/1068621112.db2.gz BIDALJDENFKVIM-QHCPKHFHSA-N 0 0 459.608 4.757 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001464119728 1068621793 /nfs/dbraw/zinc/62/17/93/1068621793.db2.gz CCCVDMMYXCBFIH-LJQANCHMSA-N 0 0 456.391 4.764 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cnccc2C(F)(F)F)cc(C)c1OCc1ccccc1 ZINC001464122413 1068622427 /nfs/dbraw/zinc/62/24/27/1068622427.db2.gz NGIOAOIZJGVRJN-UHFFFAOYSA-N 0 0 450.482 4.775 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC001464122671 1068622432 /nfs/dbraw/zinc/62/24/32/1068622432.db2.gz OBTTXURGPBBKJS-UHFFFAOYSA-N 0 0 458.246 4.847 20 0 JJADRN CCOCn1nc(C)c(C[C@H](C)C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1C ZINC001464128984 1068626020 /nfs/dbraw/zinc/62/60/20/1068626020.db2.gz LOCQGOKNRVFANB-KRWDZBQOSA-N 0 0 452.555 4.816 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001464128338 1068626095 /nfs/dbraw/zinc/62/60/95/1068626095.db2.gz DDEFFLSCTXSAGG-IIBYNOLFSA-N 0 0 450.385 4.912 20 0 JJADRN CSc1nnc(CCCNC(=O)c2ccc(C)nc2Sc2ccccc2)n1CC(C)C ZINC001464129330 1068626544 /nfs/dbraw/zinc/62/65/44/1068626544.db2.gz NJOMYYFFZHIJFM-UHFFFAOYSA-N 0 0 455.653 4.873 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)cc1Br ZINC001464129608 1068626577 /nfs/dbraw/zinc/62/65/77/1068626577.db2.gz PQCALHOMCPIEDN-CQSZACIVSA-N 0 0 457.324 4.634 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)cc1Br ZINC001464129782 1068626606 /nfs/dbraw/zinc/62/66/06/1068626606.db2.gz SKMJYEZDXPABRF-SECBINFHSA-N 0 0 451.670 4.945 20 0 JJADRN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC001464130857 1068627365 /nfs/dbraw/zinc/62/73/65/1068627365.db2.gz YPDCCAQJYPPIOW-XUZZJYLKSA-N 0 0 459.993 4.636 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001464134818 1068629190 /nfs/dbraw/zinc/62/91/90/1068629190.db2.gz FLYDBSYRJVOCBP-JOCHJYFZSA-N 0 0 455.027 4.630 20 0 JJADRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1O ZINC001464134432 1068629444 /nfs/dbraw/zinc/62/94/44/1068629444.db2.gz FROOEJFGPBLQIM-ZDUSSCGKSA-N 0 0 457.162 4.751 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Br)cc2O)nn1-c1ccccc1Br ZINC001464142477 1068632316 /nfs/dbraw/zinc/63/23/16/1068632316.db2.gz RRJKINUCQJRHHG-UHFFFAOYSA-N 0 0 451.118 4.664 20 0 JJADRN Cc1ccc2c(C(=O)Nc3ccc(Br)cc3O)cc(-c3cnn(C)c3)nc2c1C ZINC001464141659 1068632377 /nfs/dbraw/zinc/63/23/77/1068632377.db2.gz NFDJNUOAVHGMMG-UHFFFAOYSA-N 0 0 451.324 4.973 20 0 JJADRN O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001464143675 1068633074 /nfs/dbraw/zinc/63/30/74/1068633074.db2.gz JMSCHLWMYURTDN-ZDUSSCGKSA-N 0 0 455.324 4.777 20 0 JJADRN O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001464143669 1068633256 /nfs/dbraw/zinc/63/32/56/1068633256.db2.gz JMSCHLWMYURTDN-CYBMUJFWSA-N 0 0 455.324 4.777 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001464150471 1068634533 /nfs/dbraw/zinc/63/45/33/1068634533.db2.gz WXUUSVGDHSLEBF-LBPRGKRZSA-N 0 0 450.732 4.949 20 0 JJADRN CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1sccc1Br ZINC001464152686 1068634856 /nfs/dbraw/zinc/63/48/56/1068634856.db2.gz TWPFUVLPDUSNQZ-GFCCVEGCSA-N 0 0 453.221 4.573 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)c(F)cc1C ZINC001464155930 1068635750 /nfs/dbraw/zinc/63/57/50/1068635750.db2.gz BUFZSLZKSUOQBX-UHFFFAOYSA-N 0 0 459.942 4.950 20 0 JJADRN Cc1ccc(-c2nc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)cs2)n1C ZINC001464157765 1068636868 /nfs/dbraw/zinc/63/68/68/1068636868.db2.gz HAEKPVVXDOBXQG-UHFFFAOYSA-N 0 0 452.561 4.510 20 0 JJADRN CCc1ccccc1-n1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)nn1 ZINC001464157783 1068637002 /nfs/dbraw/zinc/63/70/02/1068637002.db2.gz IWQWPWCFQJVCNO-SFHVURJKSA-N 0 0 454.534 4.965 20 0 JJADRN COc1cc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC ZINC001464158020 1068637067 /nfs/dbraw/zinc/63/70/67/1068637067.db2.gz OIVYXDZTMSZIBQ-VWLOTQADSA-N 0 0 451.494 4.720 20 0 JJADRN Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cn2)c1 ZINC001464162551 1068638887 /nfs/dbraw/zinc/63/88/87/1068638887.db2.gz ADARHPXSCUTKON-HSZRJFAPSA-N 0 0 459.546 4.766 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)[C@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC001464164201 1068639651 /nfs/dbraw/zinc/63/96/51/1068639651.db2.gz GFPWWMPEGLFPNC-VQTJNVASSA-N 0 0 451.013 4.808 20 0 JJADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1nc2ccccc2cc1Br ZINC001464165771 1068640477 /nfs/dbraw/zinc/64/04/77/1068640477.db2.gz IUKBNECMDIOOTN-UHFFFAOYSA-N 0 0 453.262 4.643 20 0 JJADRN CCC1(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)[C@@H](C)CCSC)CCOCC1 ZINC001546144517 1068641584 /nfs/dbraw/zinc/64/15/84/1068641584.db2.gz MZCRFEZAFQGYRK-GHTZIAJQSA-N 0 0 460.644 4.575 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](C)N(C)c2ccccc2)c1 ZINC001464172084 1068642183 /nfs/dbraw/zinc/64/21/83/1068642183.db2.gz NNABBJMJSIEXME-OAQYLSRUSA-N 0 0 454.574 4.862 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc2)n1 ZINC001464173652 1068642835 /nfs/dbraw/zinc/64/28/35/1068642835.db2.gz OXACBCJKMREBOF-SANMLTNESA-N 0 0 456.631 4.725 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)c(F)c1Cl ZINC001464175462 1068643542 /nfs/dbraw/zinc/64/35/42/1068643542.db2.gz ZRHQEYPRVKJEMO-NRFANRHFSA-N 0 0 456.942 4.671 20 0 JJADRN O=C(Cc1cc(Br)cc(I)c1)N1CC[C@H]1c1ccccc1 ZINC001464176562 1068643586 /nfs/dbraw/zinc/64/35/86/1068643586.db2.gz TXBPWKYECCDQGT-INIZCTEOSA-N 0 0 456.121 4.570 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001464178643 1068644340 /nfs/dbraw/zinc/64/43/40/1068644340.db2.gz DXUPFFVHJZQNSW-UHFFFAOYSA-N 0 0 450.560 4.990 20 0 JJADRN CN1CCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c2ccc(Cl)cc21 ZINC001464179853 1068644936 /nfs/dbraw/zinc/64/49/36/1068644936.db2.gz FGJWBNIXHSHHJG-UHFFFAOYSA-N 0 0 452.910 4.782 20 0 JJADRN Cc1cn(-c2ccccc2)nc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001464184789 1068647067 /nfs/dbraw/zinc/64/70/67/1068647067.db2.gz DYAUZERKUMPTCR-QHCPKHFHSA-N 0 0 455.518 4.711 20 0 JJADRN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1ccccc1NS(C)(=O)=O ZINC001464185148 1068647104 /nfs/dbraw/zinc/64/71/04/1068647104.db2.gz GLDQOIAYVQCGHN-LLVKDONJSA-N 0 0 454.335 4.511 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001464185921 1068647556 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QZONVDJLULESOC-UHFFFAOYSA-N 0 0 450.901 4.647 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC001464284256 1068691541 /nfs/dbraw/zinc/69/15/41/1068691541.db2.gz PVCMAAAGEOVUGN-VWLOTQADSA-N 0 0 459.594 4.944 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C1 ZINC001464285308 1068691567 /nfs/dbraw/zinc/69/15/67/1068691567.db2.gz WQKPXOCBRDHHEY-VWLOTQADSA-N 0 0 458.530 4.570 20 0 JJADRN CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001464293402 1068694808 /nfs/dbraw/zinc/69/48/08/1068694808.db2.gz LMKZANUWEARYHI-RDJZCZTQSA-N 0 0 454.514 4.561 20 0 JJADRN Cc1nc(NC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)sc1-c1ccccc1 ZINC001464294559 1068695661 /nfs/dbraw/zinc/69/56/61/1068695661.db2.gz OXSJEACXWDEPKK-MRXNPFEDSA-N 0 0 453.568 4.927 20 0 JJADRN C[C@H](CC(=O)Nc1nc(Cc2ccc(Br)cc2)cs1)NC(=O)OC(C)(C)C ZINC001464297652 1068696292 /nfs/dbraw/zinc/69/62/92/1068696292.db2.gz NMXLGMPALNGICM-GFCCVEGCSA-N 0 0 454.390 4.738 20 0 JJADRN O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001464297744 1068696418 /nfs/dbraw/zinc/69/64/18/1068696418.db2.gz NIAJKNCBPLCTRS-LBEKAKSKSA-N 0 0 454.375 4.626 20 0 JJADRN O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001464297757 1068696424 /nfs/dbraw/zinc/69/64/24/1068696424.db2.gz NIAJKNCBPLCTRS-RBSBEOHCSA-N 0 0 454.375 4.626 20 0 JJADRN O=S(=O)(NCc1noc2ccc(F)cc12)c1cc(Br)c(Cl)cc1Cl ZINC001464297248 1068696457 /nfs/dbraw/zinc/69/64/57/1068696457.db2.gz SUSRJZQQHWMCGH-UHFFFAOYSA-N 0 0 454.104 4.515 20 0 JJADRN Cc1nc(NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)sc1-c1ccccc1 ZINC001464298517 1068696982 /nfs/dbraw/zinc/69/69/82/1068696982.db2.gz WRHKCUSTPLJZIV-HSZRJFAPSA-N 0 0 456.568 4.603 20 0 JJADRN CC(C)CC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299088 1068697046 /nfs/dbraw/zinc/69/70/46/1068697046.db2.gz NZBHRHQXWNHGCG-GOTSBHOMSA-N 0 0 459.034 4.964 20 0 JJADRN O=C(NCc1nc(-c2ccccc2)cs1)c1cc(Br)ncc1Br ZINC001464300014 1068697725 /nfs/dbraw/zinc/69/77/25/1068697725.db2.gz VSHPFMHYXAQVJZ-UHFFFAOYSA-N 0 0 453.159 4.660 20 0 JJADRN CN(CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)[C@@H]1CCC[C@H]1O ZINC001464304811 1068698881 /nfs/dbraw/zinc/69/88/81/1068698881.db2.gz GORLJWZOMIPENC-HZPDHXFCSA-N 0 0 481.462 4.555 20 0 JJADRN Cc1sc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)nc1-c1cccc(Cl)c1 ZINC001464307587 1068700308 /nfs/dbraw/zinc/70/03/08/1068700308.db2.gz WRGAYBBUCGYCTN-MRXNPFEDSA-N 0 0 451.976 4.736 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@](F)(c4ccccc4)C3)cc21 ZINC001464308313 1068700316 /nfs/dbraw/zinc/70/03/16/1068700316.db2.gz GZHIXNYTVLWEIB-FQEVSTJZSA-N 0 0 451.361 4.590 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1Br ZINC001464315144 1068701609 /nfs/dbraw/zinc/70/16/09/1068701609.db2.gz ACSHXRCXDMNHOK-UHFFFAOYSA-N 0 0 450.764 4.605 20 0 JJADRN CC(C)n1ncc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1-c1ccccc1 ZINC001464315269 1068701767 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ABTVRDZSPUVXSW-UHFFFAOYSA-N 0 0 451.495 4.990 20 0 JJADRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Br)C1 ZINC001464319792 1068704073 /nfs/dbraw/zinc/70/40/73/1068704073.db2.gz NKZSOYMEJONARQ-LLVKDONJSA-N 0 0 457.155 4.642 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001464319283 1068704127 /nfs/dbraw/zinc/70/41/27/1068704127.db2.gz LJMZVLPOBJXZOB-HOCLYGCPSA-N 0 0 453.892 4.810 20 0 JJADRN C[C@@H](NC(=O)Cc1scnc1-c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC001464320227 1068704665 /nfs/dbraw/zinc/70/46/65/1068704665.db2.gz VFXSPBFYKGITBW-CYBMUJFWSA-N 0 0 459.365 4.764 20 0 JJADRN Cc1csc(Sc2ccc(NC(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)cc2)n1 ZINC001464321016 1068704793 /nfs/dbraw/zinc/70/47/93/1068704793.db2.gz MAEJJIITOUVGKL-UHFFFAOYSA-N 0 0 459.597 4.613 20 0 JJADRN CCn1c(Br)ncc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC001464321771 1068705115 /nfs/dbraw/zinc/70/51/15/1068705115.db2.gz LYRAJWUUGHBLFD-GFCCVEGCSA-N 0 0 453.768 4.586 20 0 JJADRN COc1cccc2c(C(=O)Nc3nc(C)c(Cc4cccc(Br)c4)s3)cnn21 ZINC001464322204 1068705220 /nfs/dbraw/zinc/70/52/20/1068705220.db2.gz YNMMLFKTMSRTHL-UHFFFAOYSA-N 0 0 457.353 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCc2cc(F)ccc2Br)C1 ZINC001464321986 1068705238 /nfs/dbraw/zinc/70/52/38/1068705238.db2.gz NXJMCXDZCLAIIC-MRXNPFEDSA-N 0 0 455.368 4.632 20 0 JJADRN O=C(CNS(=O)(=O)c1cc(Cl)cc(Br)c1)c1ccc(F)c2ccccc12 ZINC001464323366 1068705678 /nfs/dbraw/zinc/70/56/78/1068705678.db2.gz MBJHNUCKOXKFOH-UHFFFAOYSA-N 0 0 456.720 4.556 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C[S@@](=O)c2ccc(Cl)cc2)cc1Cl ZINC001464323677 1068706421 /nfs/dbraw/zinc/70/64/21/1068706421.db2.gz VVRSUASHHRJFSH-MLNJSSBLSA-N 0 0 453.391 4.754 20 0 JJADRN Cc1ccc(CCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Br)c1 ZINC001464326132 1068706720 /nfs/dbraw/zinc/70/67/20/1068706720.db2.gz GLPJRXDLHLMREZ-UHFFFAOYSA-N 0 0 451.355 4.749 20 0 JJADRN C[C@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1cccc(OCc2ccccn2)c1 ZINC001464325573 1068706748 /nfs/dbraw/zinc/70/67/48/1068706748.db2.gz CQKDFUCVCZSSJS-AWEZNQCLSA-N 0 0 451.324 4.790 20 0 JJADRN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001464326938 1068707408 /nfs/dbraw/zinc/70/74/08/1068707408.db2.gz AVGWNMOGSQHTDU-ZTCOLXNVSA-N 0 0 457.592 4.547 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1C(C)C ZINC001464329462 1068707969 /nfs/dbraw/zinc/70/79/69/1068707969.db2.gz PXXUSCSDRHPVNB-UHFFFAOYSA-N 0 0 452.549 4.977 20 0 JJADRN O=C(CCCNC(=O)c1cc2c(ccc(Br)c2F)[nH]1)Nc1ccc(Cl)cc1 ZINC001464330901 1068708570 /nfs/dbraw/zinc/70/85/70/1068708570.db2.gz CNGSSAMUMJKMHC-UHFFFAOYSA-N 0 0 452.711 4.872 20 0 JJADRN CCN(C(=O)Cc1ccc(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC001464330328 1068708673 /nfs/dbraw/zinc/70/86/73/1068708673.db2.gz BNCJTZJVYLMHQE-HSZRJFAPSA-N 0 0 456.464 4.973 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3)n2)c1 ZINC001464332505 1068709150 /nfs/dbraw/zinc/70/91/50/1068709150.db2.gz MCBPGOVNTILFQF-KRWDZBQOSA-N 0 0 450.564 4.790 20 0 JJADRN CCCc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccc(F)cc1 ZINC001464331322 1068709269 /nfs/dbraw/zinc/70/92/69/1068709269.db2.gz UKDWVCUVJLHVCS-UHFFFAOYSA-N 0 0 456.512 4.637 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3)n2)c1 ZINC001464332509 1068709545 /nfs/dbraw/zinc/70/95/45/1068709545.db2.gz MCBPGOVNTILFQF-QGZVFWFLSA-N 0 0 450.564 4.790 20 0 JJADRN Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c(C(C)(C)C)n1 ZINC001464334466 1068710045 /nfs/dbraw/zinc/71/00/45/1068710045.db2.gz MKKBKIHDYFDLDW-HXUWFJFHSA-N 0 0 453.608 4.906 20 0 JJADRN C[C@@]1(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC(c2cccc(Cl)c2F)=NO1 ZINC001464334896 1068710345 /nfs/dbraw/zinc/71/03/45/1068710345.db2.gz QSAGMTQXPOTJRT-NRFANRHFSA-N 0 0 452.313 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC001464337404 1068711218 /nfs/dbraw/zinc/71/12/18/1068711218.db2.gz FWYTVESTKLDCAZ-RBUKOAKNSA-N 0 0 450.988 4.656 20 0 JJADRN O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001464338562 1068711952 /nfs/dbraw/zinc/71/19/52/1068711952.db2.gz QBSXLFABLWEARQ-INIZCTEOSA-N 0 0 451.470 4.617 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1OC ZINC001464339509 1068712266 /nfs/dbraw/zinc/71/22/66/1068712266.db2.gz HAMFRBJEUQOQGP-AWEZNQCLSA-N 0 0 452.292 4.906 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1OC ZINC001464339539 1068712459 /nfs/dbraw/zinc/71/24/59/1068712459.db2.gz HAMFRBJEUQOQGP-CQSZACIVSA-N 0 0 452.292 4.906 20 0 JJADRN Cc1ccccc1OCCCN(C)C(=O)c1cc(Br)cc(Br)c1N ZINC001464341159 1068712912 /nfs/dbraw/zinc/71/29/12/1068712912.db2.gz IXWVPTBZCWTOQN-UHFFFAOYSA-N 0 0 456.178 4.643 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)CCCOc2cccc(Cl)c2)cs1 ZINC001464343564 1068713551 /nfs/dbraw/zinc/71/35/51/1068713551.db2.gz PJPBNNJEYJAANL-CQSZACIVSA-N 0 0 453.992 4.923 20 0 JJADRN CN(C)c1ccc(NC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)cc1Cl ZINC001464345580 1068714019 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CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)c1 ZINC001164815749 720257371 /nfs/dbraw/zinc/25/73/71/720257371.db2.gz DWGCRQUXHSSAPR-HZPDHXFCSA-N 0 0 458.987 4.537 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164816937 720277963 /nfs/dbraw/zinc/27/79/63/720277963.db2.gz ABMFOBTYDZCDJC-FQEVSTJZSA-N 0 0 455.336 4.710 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164818801 720278790 /nfs/dbraw/zinc/27/87/90/720278790.db2.gz NCYUZLQAUZMIFW-FQEVSTJZSA-N 0 0 455.336 4.710 20 0 JJADRN O=C1N(CC2CC2)CC[C@@]12CCCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164817838 720281396 /nfs/dbraw/zinc/28/13/96/720281396.db2.gz GCGANKWTRKYYJP-MUUNZHRXSA-N 0 0 493.721 4.785 20 0 JJADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164819009 720283587 /nfs/dbraw/zinc/28/35/87/720283587.db2.gz OUKKMHOOCGGFQW-QFIPXVFZSA-N 0 0 464.919 4.710 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)c(Cl)nn2)c1 ZINC001164817604 720283684 /nfs/dbraw/zinc/28/36/84/720283684.db2.gz DWLDLCNJLDWKLS-QHCPKHFHSA-N 0 0 476.955 4.579 20 0 JJADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164724625 720318598 /nfs/dbraw/zinc/31/85/98/720318598.db2.gz SENGFNJNXIMJBP-HXUWFJFHSA-N 0 0 465.976 4.566 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731039 720367801 /nfs/dbraw/zinc/36/78/01/720367801.db2.gz YISFAQBMZJHLSV-MSOLQXFVSA-N 0 0 450.320 4.730 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)[C@@H]3CCCO[C@H]23)cs1 ZINC001164824344 720386654 /nfs/dbraw/zinc/38/66/54/720386654.db2.gz QZQKCMCMKHUMCE-INMHGKMJSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826758 720386735 /nfs/dbraw/zinc/38/67/35/720386735.db2.gz XPFHWRFJGQYJFQ-CKEIUWERSA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826772 720386887 /nfs/dbraw/zinc/38/68/87/720386887.db2.gz XPFHWRFJGQYJFQ-JJRVBVJISA-N 0 0 450.338 4.651 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164825204 720388597 /nfs/dbraw/zinc/38/85/97/720388597.db2.gz UNJYNRYKIRTFDF-ZNMIVQPWSA-N 0 0 472.970 4.608 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821808 720389060 /nfs/dbraw/zinc/38/90/60/720389060.db2.gz ISVPWRAUJMPBCB-KZNAEPCWSA-N 0 0 484.931 4.685 20 0 JJADRN CSc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164820803 720389693 /nfs/dbraw/zinc/38/96/93/720389693.db2.gz COHMARZZBLDRQV-JKIFEVAISA-N 0 0 461.987 4.720 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)[C@H]3CCCO[C@H]23)cs1 ZINC001164822289 720392051 /nfs/dbraw/zinc/39/20/51/720392051.db2.gz LDTWVBVYLXBVPY-UHOSZYNNSA-N 0 0 482.940 4.653 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820918 720392768 /nfs/dbraw/zinc/39/27/68/720392768.db2.gz DDULJMZRDLYVCF-SCTDSRPQSA-N 0 0 455.958 4.573 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820384 720393025 /nfs/dbraw/zinc/39/30/25/720393025.db2.gz AGLPSBCXHZCBFC-SCTDSRPQSA-N 0 0 455.958 4.573 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730297 720393795 /nfs/dbraw/zinc/39/37/95/720393795.db2.gz WNEQGBJBSCLGNL-QZTJIDSGSA-N 0 0 450.320 4.730 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821365 720394300 /nfs/dbraw/zinc/39/43/00/720394300.db2.gz GAVWMGVOUMBUQN-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164822386 720394376 /nfs/dbraw/zinc/39/43/76/720394376.db2.gz LWKXWMHCCYNLCZ-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821078 720394833 /nfs/dbraw/zinc/39/48/33/720394833.db2.gz DQHKDCYPWYJZQB-FQEVSTJZSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730298 720395071 /nfs/dbraw/zinc/39/50/71/720395071.db2.gz WNEQGBJBSCLGNL-ROUUACIJSA-N 0 0 450.320 4.730 20 0 JJADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164826934 720396301 /nfs/dbraw/zinc/39/63/01/720396301.db2.gz FGDCNVPVAJXHIN-IBGZPJMESA-N 0 0 453.871 4.898 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)O2)n1 ZINC001164827659 720402454 /nfs/dbraw/zinc/40/24/54/720402454.db2.gz GWDASERBGRWUSB-ILXRZTDVSA-N 0 0 456.280 4.672 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](c5nc(C)no5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164828822 720411541 /nfs/dbraw/zinc/41/15/41/720411541.db2.gz LKSDECOMDSGULJ-FHWLQOOXSA-N 0 0 477.899 4.541 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)O2)n1 ZINC001164828793 720411854 /nfs/dbraw/zinc/41/18/54/720411854.db2.gz LILDTDGVQMOTHD-QYZOEREBSA-N 0 0 461.900 4.841 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)O2)n1 ZINC001164832067 720411995 /nfs/dbraw/zinc/41/19/95/720411995.db2.gz YVWXHDUWNJFSNP-KURKYZTESA-N 0 0 465.863 4.671 20 0 JJADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164828966 720415212 /nfs/dbraw/zinc/41/52/12/720415212.db2.gz YMVZLQPLIDNDSI-UHFFFAOYSA-N 0 0 495.361 4.580 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]21 ZINC001164822536 720423023 /nfs/dbraw/zinc/42/30/23/720423023.db2.gz DSWFDWREVIWXOV-GUXCAODWSA-N 0 0 481.946 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]21 ZINC001164828591 720423254 /nfs/dbraw/zinc/42/32/54/720423254.db2.gz YBMHOBZTCSRXQG-LLGFUMIMSA-N 0 0 481.946 4.700 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]21 ZINC001164822537 720423372 /nfs/dbraw/zinc/42/33/72/720423372.db2.gz DSWFDWREVIWXOV-JXXFODFXSA-N 0 0 481.946 4.700 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@H](CC(=O)NC(C)C)[C@@H]4C3)cnc2Cl)c1 ZINC001164829104 720426716 /nfs/dbraw/zinc/42/67/16/720426716.db2.gz ZUZNILDJMKEWAI-JQVVWYNYSA-N 0 0 477.983 4.869 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725795 720484340 /nfs/dbraw/zinc/48/43/40/720484340.db2.gz KLCKGIIHTIDOAG-FGZHOGPDSA-N 0 0 471.939 4.599 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164729548 720484577 /nfs/dbraw/zinc/48/45/77/720484577.db2.gz RNWKSHKUCHJZFE-LEWJYISDSA-N 0 0 471.939 4.599 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c(Cl)nn1 ZINC001164729553 720485044 /nfs/dbraw/zinc/48/50/44/720485044.db2.gz RNWKSHKUCHJZFE-SFTDATJTSA-N 0 0 471.939 4.599 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725272 720487264 /nfs/dbraw/zinc/48/72/64/720487264.db2.gz JCRKUNUDLWOTGG-RTWAWAEBSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164725268 720487603 /nfs/dbraw/zinc/48/76/03/720487603.db2.gz JCRKUNUDLWOTGG-LEWJYISDSA-N 0 0 459.903 4.729 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)C3)c1 ZINC001164732339 720491247 /nfs/dbraw/zinc/49/12/47/720491247.db2.gz ZDJUBUOHSFKKJP-WAIKUNEKSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)C3)c1 ZINC001164730565 720492980 /nfs/dbraw/zinc/49/29/80/720492980.db2.gz UHVCBEQZGNDETB-OYHNWAKOSA-N 0 0 480.918 4.624 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164722472 720493032 /nfs/dbraw/zinc/49/30/32/720493032.db2.gz AXHOSCTVMSARNY-JLTOFOAXSA-N 0 0 476.326 4.796 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)C3)c1 ZINC001164731088 720493954 /nfs/dbraw/zinc/49/39/54/720493954.db2.gz VONRSWACRMBQQU-MWTRTKDXSA-N 0 0 492.929 4.691 20 0 JJADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164724184 720495482 /nfs/dbraw/zinc/49/54/82/720495482.db2.gz FBKYTMBILWAHOT-QRQCRPRQSA-N 0 0 480.918 4.624 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832575 720499898 /nfs/dbraw/zinc/49/98/98/720499898.db2.gz JRWBMHJYLOVPPJ-LMNJBCLMSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164834463 720500125 /nfs/dbraw/zinc/50/01/25/720500125.db2.gz SHWPSONEQUFOAG-CUWPLCDZSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832164 720500496 /nfs/dbraw/zinc/50/04/96/720500496.db2.gz IVIVOWJMPIKEPB-QOKNQOGYSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164832163 720500517 /nfs/dbraw/zinc/50/05/17/720500517.db2.gz IVIVOWJMPIKEPB-OGWOLHLISA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC[C@H]21)N1CCCCC1 ZINC001164831072 720500673 /nfs/dbraw/zinc/50/06/73/720500673.db2.gz FGDWDXOVHWZNAC-OGWOLHLISA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164730758 720501091 /nfs/dbraw/zinc/50/10/91/720501091.db2.gz VGEKWLXSAOATQX-LAUBAEHRSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21)N1CCCCC1 ZINC001164835803 720503102 /nfs/dbraw/zinc/50/31/02/720503102.db2.gz LMKJGNGVWUXKFN-DZKIICNBSA-N 0 0 481.893 4.543 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21)N1CCCCC1 ZINC001164832361 720503338 /nfs/dbraw/zinc/50/33/38/720503338.db2.gz ADVUYPUMJVPVFH-CBQOVEMMSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@H]21)N1CCCCC1 ZINC001164835805 720503425 /nfs/dbraw/zinc/50/34/25/720503425.db2.gz LMKJGNGVWUXKFN-LZWOXQAQSA-N 0 0 481.893 4.543 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@@H]21)N1CCCCC1 ZINC001164839392 720504100 /nfs/dbraw/zinc/50/41/00/720504100.db2.gz TWGPUIKCCQVXED-SPEDKVCISA-N 0 0 482.015 4.793 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164728589 720504256 /nfs/dbraw/zinc/50/42/56/720504256.db2.gz GKHSCBXRQMWZNG-XUZZJYLKSA-N 0 0 499.949 4.669 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164727581 720504361 /nfs/dbraw/zinc/50/43/61/720504361.db2.gz CIRMFFBUNYTHBY-KNQAVFIVSA-N 0 0 474.895 4.559 20 0 JJADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733535 720537558 /nfs/dbraw/zinc/53/75/58/720537558.db2.gz CRRZTUUKMGBJBZ-OPAMFIHVSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734687 720539446 /nfs/dbraw/zinc/53/94/46/720539446.db2.gz KJVDXIZKRKBCGQ-AVRDEDQJSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734703 720541914 /nfs/dbraw/zinc/54/19/14/720541914.db2.gz KQNZYDVPLACHGI-AOMKIAJQSA-N 0 0 476.911 4.784 20 0 JJADRN COc1ccc(C(F)(F)N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)nc1Cl ZINC001164836382 720735607 /nfs/dbraw/zinc/73/56/07/720735607.db2.gz DUAMIQPKPXIBND-UHFFFAOYSA-N 0 0 489.929 4.776 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2cnc(Cl)c(F)c2)Cc2ccccc23)nc1 ZINC001164836876 720735758 /nfs/dbraw/zinc/73/57/58/720735758.db2.gz HBFDDGIPYULYHX-UHFFFAOYSA-N 0 0 477.893 4.907 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)n1 ZINC001164843724 720766405 /nfs/dbraw/zinc/76/64/05/720766405.db2.gz AKMHRVSGMZKZFI-NHCUHLMSSA-N 0 0 463.651 4.924 20 0 JJADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccccc1 ZINC001164846107 720766430 /nfs/dbraw/zinc/76/64/30/720766430.db2.gz HKAWKPFBZAZZGY-ROUUACIJSA-N 0 0 455.896 4.511 20 0 JJADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccccc1 ZINC001164851137 720767672 /nfs/dbraw/zinc/76/76/72/720767672.db2.gz YONGSNMWBVYMJP-MSOLQXFVSA-N 0 0 455.896 4.511 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)nc12 ZINC001164851215 720772028 /nfs/dbraw/zinc/77/20/28/720772028.db2.gz YXXSPJHKOFOQIQ-LZQZEXGQSA-N 0 0 478.902 4.705 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)nc(Cl)c2c1 ZINC001164847139 720773337 /nfs/dbraw/zinc/77/33/37/720773337.db2.gz LGLJHQJUJROOEV-DBVUQKKJSA-N 0 0 478.902 4.705 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164845150 720774185 /nfs/dbraw/zinc/77/41/85/720774185.db2.gz FGDAZBLRQQNVPZ-ULQDDVLXSA-N 0 0 455.958 4.740 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)c2c1C ZINC001164846251 720777035 /nfs/dbraw/zinc/77/70/35/720777035.db2.gz IJCCEHOGGVYYFX-VJBWXMMDSA-N 0 0 493.677 4.642 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847845 720778095 /nfs/dbraw/zinc/77/80/95/720778095.db2.gz NQTNZCCJVUPJOZ-SRTADBNSSA-N 0 0 484.959 4.663 20 0 JJADRN COC[C@@]12CCC[C@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164851076 720789158 /nfs/dbraw/zinc/78/91/58/720789158.db2.gz XIZSFMYMYFHJPE-BTYIYWSLSA-N 0 0 486.346 4.938 20 0 JJADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164850542 720813566 /nfs/dbraw/zinc/81/35/66/720813566.db2.gz JFWGGSOFFYEEGR-DYESRHJHSA-N 0 0 472.898 4.576 20 0 JJADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nc3C(=O)OC)cc1)C2 ZINC001164846709 720827291 /nfs/dbraw/zinc/82/72/91/720827291.db2.gz GCYGNSZRLRSQEW-WMZHIEFXSA-N 0 0 480.939 4.755 20 0 JJADRN COC[C@@]12CCCO[C@@H]1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164852173 720827620 /nfs/dbraw/zinc/82/76/20/720827620.db2.gz ZKWINCDLFIZVNN-RLWLMLJZSA-N 0 0 470.683 4.578 20 0 JJADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164852141 720828656 /nfs/dbraw/zinc/82/86/56/720828656.db2.gz ZFWVPGYTYCEVLD-UNMCSNQZSA-N 0 0 452.929 4.881 20 0 JJADRN Cc1nc([C@@H]2COCCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)cs1 ZINC001164746852 720864655 /nfs/dbraw/zinc/86/46/55/720864655.db2.gz GTAGGLBWYWZFJK-SFHVURJKSA-N 0 0 455.653 4.509 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001164856956 720894404 /nfs/dbraw/zinc/89/44/04/720894404.db2.gz IPMZXAQWDYPOAY-UHFFFAOYSA-N 0 0 452.958 4.530 20 0 JJADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)CC1 ZINC001164856012 720894742 /nfs/dbraw/zinc/89/47/42/720894742.db2.gz FTZOJHFMDMUBMJ-UHFFFAOYSA-N 0 0 483.950 4.870 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1)c1ccccc1 ZINC001164858745 720898311 /nfs/dbraw/zinc/89/83/11/720898311.db2.gz OOXNEYXNWJZTCQ-MWTRTKDXSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1)c1ccccc1 ZINC001164853998 720899838 /nfs/dbraw/zinc/89/98/38/720899838.db2.gz DOUGVJYZQOPBHO-NBGIEHNGSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1)c1ccccc1 ZINC001164855037 720901814 /nfs/dbraw/zinc/90/18/14/720901814.db2.gz HLMSALIJFMOHIK-BWKNWUBXSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1)c1ccccc1 ZINC001164855040 720901825 /nfs/dbraw/zinc/90/18/25/720901825.db2.gz HLMSALIJFMOHIK-SQJMNOBHSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)C[C@H]21)c1ccno1 ZINC001164863120 720914363 /nfs/dbraw/zinc/91/43/63/720914363.db2.gz XALBWUQLGMDUIA-SCWSEQNSSA-N 0 0 494.970 4.587 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164759270 720973688 /nfs/dbraw/zinc/97/36/88/720973688.db2.gz ZKLRBUFCHINCES-CQSZACIVSA-N 0 0 468.335 4.741 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3cncn3C[C@@H](COCC3CC3)C2)n1 ZINC001164758517 720981655 /nfs/dbraw/zinc/98/16/55/720981655.db2.gz VSEOSLLWTZGNNS-FQEVSTJZSA-N 0 0 488.661 4.679 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756812 720984101 /nfs/dbraw/zinc/98/41/01/720984101.db2.gz LNNDOWRSNBWISF-QGZVFWFLSA-N 0 0 489.954 4.610 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757823 720984555 /nfs/dbraw/zinc/98/45/55/720984555.db2.gz QZZQXEXENKETPH-INIZCTEOSA-N 0 0 477.918 4.741 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757595 720985111 /nfs/dbraw/zinc/98/51/11/720985111.db2.gz PJMXHHSJHKNQSU-GOSISDBHSA-N 0 0 473.955 4.910 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3Cc4cncn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164758916 720985987 /nfs/dbraw/zinc/98/59/87/720985987.db2.gz WSTKFVASUFXKIH-SFHVURJKSA-N 0 0 473.955 4.910 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164762870 721011140 /nfs/dbraw/zinc/01/11/40/721011140.db2.gz WNSMOIWSALMSIG-VABKMULXSA-N 0 0 487.934 4.771 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1=O ZINC001164856400 721026592 /nfs/dbraw/zinc/02/65/92/721026592.db2.gz ABHJRXSCJZUGAQ-HMXCVIKNSA-N 0 0 477.983 4.781 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1=O ZINC001164856397 721026682 /nfs/dbraw/zinc/02/66/82/721026682.db2.gz ABHJRXSCJZUGAQ-HLAWJBBLSA-N 0 0 477.983 4.781 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164766642 721028312 /nfs/dbraw/zinc/02/83/12/721028312.db2.gz RJPNIMTVRYUKGB-PGRDOPGGSA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164763770 721029306 /nfs/dbraw/zinc/02/93/06/721029306.db2.gz KWYSXFHGIZTETN-VGSWGCGISA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164761542 721029481 /nfs/dbraw/zinc/02/94/81/721029481.db2.gz GHKYVUDFUNVAQT-KNQAVFIVSA-N 0 0 460.912 4.568 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001164770837 721030502 /nfs/dbraw/zinc/03/05/02/721030502.db2.gz ZGPXWOYEKMBNKN-OXJNMPFZSA-N 0 0 455.958 4.742 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@H]2C1=O ZINC001164858851 721031824 /nfs/dbraw/zinc/03/18/24/721031824.db2.gz HZZCLQVWGWZKAU-MISYRCLQSA-N 0 0 493.982 4.887 20 0 JJADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CCc4ncc(Cn5cccn5)n4CC3)c(Cl)nn2)cc1 ZINC001164862707 721034619 /nfs/dbraw/zinc/03/46/19/721034619.db2.gz PAQRKULTMXRPOM-UHFFFAOYSA-N 0 0 497.981 4.969 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@@H]2COCc1ccccc1 ZINC001164774817 721048496 /nfs/dbraw/zinc/04/84/96/721048496.db2.gz YPMXZYYHJBFCIF-HXUWFJFHSA-N 0 0 484.938 4.760 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)n1 ZINC001164771695 721053302 /nfs/dbraw/zinc/05/33/02/721053302.db2.gz NNVBLZZDHLTEHU-MSOLQXFVSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001164772471 721053528 /nfs/dbraw/zinc/05/35/28/721053528.db2.gz PBIVLPKWEZKNED-QZTJIDSGSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)n1 ZINC001164771515 721055381 /nfs/dbraw/zinc/05/53/81/721055381.db2.gz MIDYSPHYRYTNCV-GOTSBHOMSA-N 0 0 498.961 4.942 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(Cl)n1 ZINC001164766632 721059861 /nfs/dbraw/zinc/05/98/61/721059861.db2.gz FSKKDAHXCBSCGS-HTAPYJJXSA-N 0 0 450.913 5.000 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c(Cl)n1 ZINC001164766678 721059960 /nfs/dbraw/zinc/05/99/60/721059960.db2.gz FSKKDAHXCBSCGS-VGSWGCGISA-N 0 0 450.913 5.000 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164764855 721061830 /nfs/dbraw/zinc/06/18/30/721061830.db2.gz BRMWRBPZPAAMIB-MGPUTAFESA-N 0 0 450.942 4.914 20 0 JJADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)[C@@H]2CCCO[C@H]12 ZINC001164764357 721068177 /nfs/dbraw/zinc/06/81/77/721068177.db2.gz HIGDDDDZKHOAPN-MBOZVWFJSA-N 0 0 492.979 4.513 20 0 JJADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164876010 721219735 /nfs/dbraw/zinc/21/97/35/721219735.db2.gz ZHRVHBBOPLWWKM-UHFFFAOYSA-N 0 0 463.743 4.858 20 0 JJADRN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164869494 721225458 /nfs/dbraw/zinc/22/54/58/721225458.db2.gz CPBBSKKVUBHGKN-IBGZPJMESA-N 0 0 492.998 4.644 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@@H]32)N=C1C ZINC001164871626 721233421 /nfs/dbraw/zinc/23/34/21/721233421.db2.gz GXZKEZSKAXQKMJ-ITSWEJNFSA-N 0 0 476.930 4.952 20 0 JJADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(OC)c5)c4)C[C@@H]32)N=C1C ZINC001164870644 721235918 /nfs/dbraw/zinc/23/59/18/721235918.db2.gz AGDLLWCGLAJQON-QATBIIFWSA-N 0 0 488.966 4.821 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(COCC5CC5)cnc4[C@@H]3C)c2c1C ZINC001164871990 721242897 /nfs/dbraw/zinc/24/28/97/721242897.db2.gz JFAUZEUPSHRGOZ-SFHVURJKSA-N 0 0 480.682 4.998 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(COCC5CC5)cnc4[C@H]3C)c2c1C ZINC001164871987 721243155 /nfs/dbraw/zinc/24/31/55/721243155.db2.gz JFAUZEUPSHRGOZ-GOSISDBHSA-N 0 0 480.682 4.998 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)nc(Cl)c2c1 ZINC001164879288 721248452 /nfs/dbraw/zinc/24/84/52/721248452.db2.gz XUNCSKNHSUZQCZ-IPELMVKDSA-N 0 0 464.875 4.568 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@H]32)n1 ZINC001164880144 721250846 /nfs/dbraw/zinc/25/08/46/721250846.db2.gz ZXVZQETXVUEKQU-BDTNDASRSA-N 0 0 481.666 4.750 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164875038 721251849 /nfs/dbraw/zinc/25/18/49/721251849.db2.gz LOPXHRLPWZADGH-BMFZPTHFSA-N 0 0 463.834 4.899 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)O1)c1ccccc1 ZINC001164877437 721254375 /nfs/dbraw/zinc/25/43/75/721254375.db2.gz RJJXIHRVNCDQRN-UWJYYQICSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C2)O1)c1ccccc1 ZINC001164873287 721255165 /nfs/dbraw/zinc/25/51/65/721255165.db2.gz HIWJWAIVVWZFIC-DVECYGJZSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)O1)c1ccccc1 ZINC001164873359 721255325 /nfs/dbraw/zinc/25/53/25/721255325.db2.gz HSCPXOYYKAXDAX-CYFREDJKSA-N 0 0 486.950 4.776 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)O1)c1ccccc1 ZINC001164873122 721258838 /nfs/dbraw/zinc/25/88/38/721258838.db2.gz GLLOGOJVHUVJTP-FDDCHVKYSA-N 0 0 476.955 4.500 20 0 JJADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765370 721271161 /nfs/dbraw/zinc/27/11/61/721271161.db2.gz KQUVBANHNXZCGD-AREMUKBSSA-N 0 0 491.954 4.994 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164768157 721274260 /nfs/dbraw/zinc/27/42/60/721274260.db2.gz KSUACZRCAYMMHD-CQSZACIVSA-N 0 0 491.329 4.788 20 0 JJADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164766275 721274670 /nfs/dbraw/zinc/27/46/70/721274670.db2.gz BFLUVVCAJURDFU-INIZCTEOSA-N 0 0 455.896 4.740 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164768191 721276492 /nfs/dbraw/zinc/27/64/92/721276492.db2.gz LTJDZYYOMQNMIT-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164877841 721296884 /nfs/dbraw/zinc/29/68/84/721296884.db2.gz PCRNZOYXMGAGGL-OXQOHEQNSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164875819 721297999 /nfs/dbraw/zinc/29/79/99/721297999.db2.gz GZTJMWBGZHBDGU-OXQOHEQNSA-N 0 0 477.964 4.862 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@H]2C1 ZINC001164879710 721299221 /nfs/dbraw/zinc/29/92/21/721299221.db2.gz ZWMCBYORQVKORT-WFASDCNBSA-N 0 0 495.901 4.728 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)c(Cl)n1 ZINC001164775324 721305037 /nfs/dbraw/zinc/30/50/37/721305037.db2.gz VPDBZUJVKPPRMS-QHCPKHFHSA-N 0 0 479.955 4.641 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CCC(=O)N4CC4CC4)CC3)c2c1C ZINC001164778472 721306898 /nfs/dbraw/zinc/30/68/98/721306898.db2.gz XPLNWAWBODSXEN-UHFFFAOYSA-N 0 0 467.683 4.665 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881980 721311187 /nfs/dbraw/zinc/31/11/87/721311187.db2.gz YWJJZCLOVVNADB-JEBQAFNWSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880291 721312014 /nfs/dbraw/zinc/31/20/14/721312014.db2.gz QGPPXALINQRUSB-DOPJRALCSA-N 0 0 481.330 4.939 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164879515 721313945 /nfs/dbraw/zinc/31/39/45/721313945.db2.gz NEIKDSLPLVDOEP-BHIFYINESA-N 0 0 493.677 4.752 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881975 721314013 /nfs/dbraw/zinc/31/40/13/721314013.db2.gz YVTYHBPJLIIVJA-FHLIZLRMSA-N 0 0 478.952 4.861 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164879513 721314105 /nfs/dbraw/zinc/31/41/05/721314105.db2.gz NEIKDSLPLVDOEP-BHDDXSALSA-N 0 0 493.677 4.752 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)c1 ZINC001164878510 721315219 /nfs/dbraw/zinc/31/52/19/721315219.db2.gz OWXARNDLSQIDJY-GQWLDOHISA-N 0 0 490.913 4.939 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164877843 721316549 /nfs/dbraw/zinc/31/65/49/721316549.db2.gz LJPBDUNXAXUFFS-QGZVFWFLSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164880349 721317166 /nfs/dbraw/zinc/31/71/66/721317166.db2.gz XEIBWWRUUHNEJX-QGZVFWFLSA-N 0 0 477.342 4.982 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)n1 ZINC001164878354 721318485 /nfs/dbraw/zinc/31/84/85/721318485.db2.gz NJBNTLWGIMRIKD-OAQYLSRUSA-N 0 0 477.678 4.650 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164878083 721318559 /nfs/dbraw/zinc/31/85/59/721318559.db2.gz MPWXXOROAUYHOB-HXUWFJFHSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164880027 721319242 /nfs/dbraw/zinc/31/92/42/721319242.db2.gz VMVBFBSSEOJQRK-OAQYLSRUSA-N 0 0 468.935 4.842 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)nc(Cl)c2c1 ZINC001164776558 721325854 /nfs/dbraw/zinc/32/58/54/721325854.db2.gz FCRLBBKCDKOBQS-CQSZACIVSA-N 0 0 482.865 4.708 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164778348 721325903 /nfs/dbraw/zinc/32/59/03/721325903.db2.gz PJRZQUDSGWOITB-HNNXBMFYSA-N 0 0 464.875 4.569 20 0 JJADRN COc1ccc2nc(C(F)(F)N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)nc(Cl)c2c1 ZINC001164776525 721327028 /nfs/dbraw/zinc/32/70/28/721327028.db2.gz GAEQTBTYFNXCKC-HNNXBMFYSA-N 0 0 494.901 4.578 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164777053 721327263 /nfs/dbraw/zinc/32/72/63/721327263.db2.gz LECPCLVACAJATG-AWEZNQCLSA-N 0 0 480.874 4.676 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)cnc1Cl ZINC001164777825 721328141 /nfs/dbraw/zinc/32/81/41/721328141.db2.gz RGSAHTZWJJTMTF-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164877471 721328925 /nfs/dbraw/zinc/32/89/25/721328925.db2.gz UKKJMYHVMUKMMY-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2)N1CC=CC1 ZINC001164776711 721328888 /nfs/dbraw/zinc/32/88/88/721328888.db2.gz HYKJAQNGPRYFLU-UHFFFAOYSA-N 0 0 491.970 4.895 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C2)cs1 ZINC001164875363 721331210 /nfs/dbraw/zinc/33/12/10/721331210.db2.gz KNABJKWUCUYLJM-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3nc4ccccc4nc3Cl)C2)cs1 ZINC001164873460 721331974 /nfs/dbraw/zinc/33/19/74/721331974.db2.gz CHBVSGCZNRHMJW-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)C2)C1 ZINC001164778768 721340736 /nfs/dbraw/zinc/34/07/36/721340736.db2.gz OLHRCPZVXMWKCS-OAQYLSRUSA-N 0 0 497.999 4.613 20 0 JJADRN O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164889163 721341760 /nfs/dbraw/zinc/34/17/60/721341760.db2.gz YCMXMKFSYQGXRF-RXVVDRJESA-N 0 0 470.347 4.598 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)cnc2Cl)c1 ZINC001164889289 721346282 /nfs/dbraw/zinc/34/62/82/721346282.db2.gz YYAMOHMZWIJIOP-ZJSXRUAMSA-N 0 0 475.967 4.767 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1Cl ZINC001164779770 721354951 /nfs/dbraw/zinc/35/49/51/721354951.db2.gz WDYNZNDABMOGCX-OAQYLSRUSA-N 0 0 487.016 4.726 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)N1c1ccsc1 ZINC001164885733 721356542 /nfs/dbraw/zinc/35/65/42/721356542.db2.gz YSQZLVXDQQYKBW-GJZGRUSLSA-N 0 0 455.317 4.927 20 0 JJADRN O=C1C[C@H]2[C@H](CCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882632 721358291 /nfs/dbraw/zinc/35/82/91/721358291.db2.gz KHUQBOWBCDRPJY-OALUTQOASA-N 0 0 479.675 4.612 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)N1c1ccsc1 ZINC001164882631 721358445 /nfs/dbraw/zinc/35/84/45/721358445.db2.gz KHUQBOWBCDRPJY-MOPGFXCFSA-N 0 0 479.675 4.612 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC001164885277 721358463 /nfs/dbraw/zinc/35/84/63/721358463.db2.gz XRJRLZCRBVNBCK-ROUUACIJSA-N 0 0 455.653 4.596 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883981 721360114 /nfs/dbraw/zinc/36/01/14/721360114.db2.gz SIIYCYHTTMYAHH-OALUTQOASA-N 0 0 476.936 4.796 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)N1c1ccsc1 ZINC001164881885 721360669 /nfs/dbraw/zinc/36/06/69/721360669.db2.gz GSPHTWGAORBJRK-MSOLQXFVSA-N 0 0 464.900 4.927 20 0 JJADRN COCCN1CCN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)Cc2cccnc21 ZINC001164886656 721370193 /nfs/dbraw/zinc/37/01/93/721370193.db2.gz NCKAJRBNGJCGTO-UHFFFAOYSA-N 0 0 459.928 4.518 20 0 JJADRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)Cc2cccnc21 ZINC001164888132 721370197 /nfs/dbraw/zinc/37/01/97/721370197.db2.gz UVBOIMMRLNMJRN-UHFFFAOYSA-N 0 0 450.942 4.876 20 0 JJADRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)Cc2cccnc21 ZINC001164885414 721370237 /nfs/dbraw/zinc/37/02/37/721370237.db2.gz HJUDPWWYUBNRQP-UHFFFAOYSA-N 0 0 474.939 4.824 20 0 JJADRN Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C3)CC2=O)cn1 ZINC001164884829 721374403 /nfs/dbraw/zinc/37/44/03/721374403.db2.gz FXPGDQMHCHJNCK-QFIPXVFZSA-N 0 0 492.357 4.967 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164780364 721376951 /nfs/dbraw/zinc/37/69/51/721376951.db2.gz GLOKRGCJXWHGHB-QHCPKHFHSA-N 0 0 480.987 4.881 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780411 721383446 /nfs/dbraw/zinc/38/34/46/721383446.db2.gz HDMGDCILBQORJP-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782468 721383757 /nfs/dbraw/zinc/38/37/57/721383757.db2.gz LVVADGVJQSENRY-WMZHIEFXSA-N 0 0 474.939 4.815 20 0 JJADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164785326 721385497 /nfs/dbraw/zinc/38/54/97/721385497.db2.gz RCEDABBTMXRLFF-JPYJTQIMSA-N 0 0 474.939 4.815 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164783768 721386286 /nfs/dbraw/zinc/38/62/86/721386286.db2.gz PAHMDCNFZNYYLR-OUIFVKKZSA-N 0 0 498.986 4.912 20 0 JJADRN FC(F)(N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164780166 721386788 /nfs/dbraw/zinc/38/67/88/721386788.db2.gz FFTYZBCYOUNYKA-NZQKXSOJSA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164780165 721386914 /nfs/dbraw/zinc/38/69/14/721386914.db2.gz FFTYZBCYOUNYKA-NFBKMPQASA-N 0 0 463.956 4.842 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781725 721413308 /nfs/dbraw/zinc/41/33/08/721413308.db2.gz DJQDYFBLDRYQKF-RYUDHWBXSA-N 0 0 456.349 4.506 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccc(F)c(Cl)n2)CCO3)cs1 ZINC001164788222 721443090 /nfs/dbraw/zinc/44/30/90/721443090.db2.gz ZYUZCXUDANNXDA-KUHUBIRLSA-N 0 0 461.937 4.776 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)n1 ZINC001164784105 721443174 /nfs/dbraw/zinc/44/31/74/721443174.db2.gz OYWGNIZEVDSLEE-KUHUBIRLSA-N 0 0 491.029 4.754 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc(F)c(Cl)n2)CCO3)cs1 ZINC001164788224 721443262 /nfs/dbraw/zinc/44/32/62/721443262.db2.gz ZYUZCXUDANNXDA-LIRRHRJNSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ccc2F)CCO3)cs1 ZINC001164784880 721443630 /nfs/dbraw/zinc/44/36/30/721443630.db2.gz QZCAULVWDUTZPS-KUHUBIRLSA-N 0 0 461.937 4.776 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164783950 721443649 /nfs/dbraw/zinc/44/36/49/721443649.db2.gz OQHOTEFLRZXGGM-KXBFYZLASA-N 0 0 459.946 4.517 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)c(Cl)n1 ZINC001164787244 721443789 /nfs/dbraw/zinc/44/37/89/721443789.db2.gz WQCXEXKDGADATO-FOIQADDNSA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164783923 721443801 /nfs/dbraw/zinc/44/38/01/721443801.db2.gz OQHOTEFLRZXGGM-BEFAXECRSA-N 0 0 459.946 4.517 20 0 JJADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2nc(Cl)ccc2CN2CCCC2)CCO3)cs1 ZINC001164788170 721443978 /nfs/dbraw/zinc/44/39/78/721443978.db2.gz ZGNLBOPJKURZFP-GBXCKJPGSA-N 0 0 477.074 4.688 20 0 JJADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3csc(C)n3)C2)nc1Cl ZINC001164782009 721444122 /nfs/dbraw/zinc/44/41/22/721444122.db2.gz IFBUNNLNWBFNBK-FOIQADDNSA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)ccc2C)CCO3)cs1 ZINC001164781510 721444353 /nfs/dbraw/zinc/44/43/53/721444353.db2.gz GBXVYXVDOPEFMM-UZLBHIALSA-N 0 0 457.974 4.946 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(C4CC4)nnc2Cl)CCO3)cs1 ZINC001164780944 721445002 /nfs/dbraw/zinc/44/50/02/721445002.db2.gz DCKYCFMOPIIYHG-IERDGZPVSA-N 0 0 485.000 4.910 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)C2=O)cs1 ZINC001164885880 721460893 /nfs/dbraw/zinc/46/08/93/721460893.db2.gz FRVYTXWTRCXZNW-GOSISDBHSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C3)C2=O)cs1 ZINC001164887112 721461190 /nfs/dbraw/zinc/46/11/90/721461190.db2.gz ISQLOLITBIRQRR-OAQYLSRUSA-N 0 0 477.968 4.612 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1Cl ZINC001164885535 721461500 /nfs/dbraw/zinc/46/15/00/721461500.db2.gz FEDATJFLZROZIH-IBGZPJMESA-N 0 0 473.014 4.786 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)Sc4ccc(Cl)nc4)C3)C2=O)cs1 ZINC001164889760 721462090 /nfs/dbraw/zinc/46/20/90/721462090.db2.gz IOJNKIPGTVYOTA-GOSISDBHSA-N 0 0 458.987 4.657 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)cc1 ZINC001164895213 721464849 /nfs/dbraw/zinc/46/48/49/721464849.db2.gz ZZRSHLVZYSMGFW-YLJYHZDGSA-N 0 0 491.966 4.817 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164887617 721465235 /nfs/dbraw/zinc/46/52/35/721465235.db2.gz CYGIMMVWWQMWQP-RZUBCFFCSA-N 0 0 495.737 4.885 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164889033 721465469 /nfs/dbraw/zinc/46/54/69/721465469.db2.gz HDHQISCMURABGZ-FPOVZHCZSA-N 0 0 481.710 4.639 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC[C@@H]21 ZINC001164895011 721468156 /nfs/dbraw/zinc/46/81/56/721468156.db2.gz YVFOYSDOLHPEEV-KXBFYZLASA-N 0 0 452.908 4.564 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164886963 721469392 /nfs/dbraw/zinc/46/93/92/721469392.db2.gz AAWVDQBJDRZLPG-QGZVFWFLSA-N 0 0 469.923 4.878 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164889048 721469774 /nfs/dbraw/zinc/46/97/74/721469774.db2.gz HFRPGUSOAMVGKO-GOSISDBHSA-N 0 0 496.949 4.787 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164894224 721470938 /nfs/dbraw/zinc/47/09/38/721470938.db2.gz WMIILMGNIQGIFD-KRWDZBQOSA-N 0 0 485.922 4.985 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001164894979 721475714 /nfs/dbraw/zinc/47/57/14/721475714.db2.gz POJFIHRIMZABJJ-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)cc1 ZINC001164793402 721488671 /nfs/dbraw/zinc/48/86/71/721488671.db2.gz RPMGGJXGKJKZKY-NYHFZMIOSA-N 0 0 494.876 4.547 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)c(Cl)nn2)c1 ZINC001164793535 721488722 /nfs/dbraw/zinc/48/87/22/721488722.db2.gz SJEINHGPGJDOIH-SBUREZEXSA-N 0 0 490.913 4.716 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164895894 721489136 /nfs/dbraw/zinc/48/91/36/721489136.db2.gz NVWDNPZXUHESSG-IBGZPJMESA-N 0 0 475.967 4.991 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164792272 721489250 /nfs/dbraw/zinc/48/92/50/721489250.db2.gz IJODVHZEZWELQW-YCRPNKLZSA-N 0 0 465.859 4.606 20 0 JJADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164792258 721489396 /nfs/dbraw/zinc/48/93/96/721489396.db2.gz IJODVHZEZWELQW-BTYIYWSLSA-N 0 0 465.859 4.606 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(OC)c3)CC2)c2ccc(C)cc21 ZINC001164897892 721491558 /nfs/dbraw/zinc/49/15/58/721491558.db2.gz FKRGBIBZWARQII-GOSISDBHSA-N 0 0 464.944 4.509 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@H](OCC5CC5)[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164901184 721496836 /nfs/dbraw/zinc/49/68/36/721496836.db2.gz TYPSOHQARIEZFS-IMSXRSKXSA-N 0 0 453.030 4.720 20 0 JJADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164895955 721502282 /nfs/dbraw/zinc/50/22/82/721502282.db2.gz FXMAKESKAPJHGT-GOSISDBHSA-N 0 0 485.000 4.551 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164898721 721504212 /nfs/dbraw/zinc/50/42/12/721504212.db2.gz UMNQQBZXZIUDEH-INIZCTEOSA-N 0 0 478.330 4.519 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164796259 721505482 /nfs/dbraw/zinc/50/54/82/721505482.db2.gz QSMPDTFCNYDAEI-RXFWQSSRSA-N 0 0 461.997 4.726 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795286 721506348 /nfs/dbraw/zinc/50/63/48/721506348.db2.gz JWILQKORYWRBJQ-JTSKRJEESA-N 0 0 457.912 4.817 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795285 721506468 /nfs/dbraw/zinc/50/64/68/721506468.db2.gz JWILQKORYWRBJQ-HTAPYJJXSA-N 0 0 457.912 4.817 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164799936 721540734 /nfs/dbraw/zinc/54/07/34/721540734.db2.gz CFJPXNLZBPXUGH-AKFKNWHVSA-N 0 0 457.603 4.622 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4cccs4)c32)[C@H]2CCCO[C@@H]12 ZINC001164807171 721541157 /nfs/dbraw/zinc/54/11/57/721541157.db2.gz PWGDOIAASNJTGR-NNMXDRDESA-N 0 0 463.632 4.683 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164798964 721542026 /nfs/dbraw/zinc/54/20/26/721542026.db2.gz AFOQUCUYWGLUQO-ZCNNSNEGSA-N 0 0 478.811 4.853 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805189 721542179 /nfs/dbraw/zinc/54/21/79/721542179.db2.gz LBIKMCGMRPBPRS-XNJGSVPQSA-N 0 0 462.208 4.958 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@H]2CCCO[C@@H]12 ZINC001164806106 721545783 /nfs/dbraw/zinc/54/57/83/721545783.db2.gz NUTKJHMNXMLVJP-XUVXKRRUSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)[C@@H]2CCCO[C@@H]12 ZINC001164804457 721548307 /nfs/dbraw/zinc/54/83/07/721548307.db2.gz JRGZZKHHJAEUDZ-YPAWHYETSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164799877 721548365 /nfs/dbraw/zinc/54/83/65/721548365.db2.gz BNMDECYWEBAIRB-QZNHQXDQSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809868 721568741 /nfs/dbraw/zinc/56/87/41/721568741.db2.gz XQAZFIIJVSISSU-YPAWHYETSA-N 0 0 458.940 4.696 20 0 JJADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164907600 721569826 /nfs/dbraw/zinc/56/98/26/721569826.db2.gz OWDUPRQVVLQAKY-JTQLQIEISA-N 0 0 463.743 4.830 20 0 JJADRN COCCN1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@@H]2C1=O ZINC001164902307 721576086 /nfs/dbraw/zinc/57/60/86/721576086.db2.gz JQUNPZWZPSTGGE-DYVFJYSZSA-N 0 0 489.872 4.507 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164800316 721576392 /nfs/dbraw/zinc/57/63/92/721576392.db2.gz DTFNPFVSJZSHIH-WMTXJRDZSA-N 0 0 475.593 4.761 20 0 JJADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164809488 721577785 /nfs/dbraw/zinc/57/77/85/721577785.db2.gz SMZRFHBRGBRYMN-FIXSFTCYSA-N 0 0 486.645 4.633 20 0 JJADRN Cc1sc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1-c1ccccc1 ZINC001164808068 721578326 /nfs/dbraw/zinc/57/83/26/721578326.db2.gz PTUOSKRPUMXUEW-SLSDLSHTSA-N 0 0 471.630 4.930 20 0 JJADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCCC3 ZINC001164809631 721578527 /nfs/dbraw/zinc/57/85/27/721578527.db2.gz UGLQPNVLWQLLBD-HFMPRLQTSA-N 0 0 463.651 4.532 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164805621 721578777 /nfs/dbraw/zinc/57/87/77/721578777.db2.gz LGZOGKXAZKPJEO-SGIRGMQISA-N 0 0 498.656 4.505 20 0 JJADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164903079 721579043 /nfs/dbraw/zinc/57/90/43/721579043.db2.gz KQOMCUZWMYZZGQ-KRWDZBQOSA-N 0 0 491.366 4.577 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902901 721579845 /nfs/dbraw/zinc/57/98/45/721579845.db2.gz JYLWVYFOYRUHIX-OAQYLSRUSA-N 0 0 480.346 4.752 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@H]12 ZINC001164799276 721584590 /nfs/dbraw/zinc/58/45/90/721584590.db2.gz AJASNGZFYZYVFH-AKFKNWHVSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@H]12 ZINC001164805828 721586363 /nfs/dbraw/zinc/58/63/63/721586363.db2.gz LZBCULMNLSCIPE-ZLNRFVROSA-N 0 0 485.966 4.605 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)[C@H]2CCCO[C@H]12 ZINC001164810957 721587884 /nfs/dbraw/zinc/58/78/84/721587884.db2.gz WTIYVUMVUGWAMY-JZXOWHBKSA-N 0 0 476.877 4.562 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164810855 721589603 /nfs/dbraw/zinc/58/96/03/721589603.db2.gz WLMUCOUBZIXDKU-FCEUIQTBSA-N 0 0 486.403 4.839 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164810852 721589630 /nfs/dbraw/zinc/58/96/30/721589630.db2.gz WLMUCOUBZIXDKU-CEMLEFRQSA-N 0 0 486.403 4.839 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(Cl)nn2)cc1 ZINC001164804109 721591607 /nfs/dbraw/zinc/59/16/07/721591607.db2.gz IPODWJIAGAFIIV-TZRRMPRUSA-N 0 0 499.993 4.914 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806822 721591685 /nfs/dbraw/zinc/59/16/85/721591685.db2.gz NBSQAEDVMCUGHQ-KCZVDYSFSA-N 0 0 474.939 4.803 20 0 JJADRN c1nc(COCC2CC2)c2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164801508 721600103 /nfs/dbraw/zinc/60/01/03/721600103.db2.gz ONZZNFQNLLTNTO-UHFFFAOYSA-N 0 0 492.693 4.699 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164802929 721600941 /nfs/dbraw/zinc/60/09/41/721600941.db2.gz UEHQIWFMDUVZEN-JTSKRJEESA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164798806 721600945 /nfs/dbraw/zinc/60/09/45/721600945.db2.gz GIJSMTSJSVFORY-VGOFRKELSA-N 0 0 465.928 4.593 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c1 ZINC001164798334 721601435 /nfs/dbraw/zinc/60/14/35/721601435.db2.gz DSRVDJPFTCHIKG-PGRDOPGGSA-N 0 0 465.928 4.593 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)c(Cl)n1 ZINC001164805276 721601440 /nfs/dbraw/zinc/60/14/40/721601440.db2.gz ZPZAOHQBOJUQEK-FDDCHVKYSA-N 0 0 479.955 4.983 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164798275 721601473 /nfs/dbraw/zinc/60/14/73/721601473.db2.gz DDTPXXKFMJOLQN-VGSWGCGISA-N 0 0 465.928 4.593 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164797969 721603563 /nfs/dbraw/zinc/60/35/63/721603563.db2.gz DGTTWINGHLXODT-SFHVURJKSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164797968 721603644 /nfs/dbraw/zinc/60/36/44/721603644.db2.gz DGTTWINGHLXODT-GOSISDBHSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164797557 721603834 /nfs/dbraw/zinc/60/38/34/721603834.db2.gz BWDQARHHWVVVFI-MRXNPFEDSA-N 0 0 462.928 4.858 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164804855 721605472 /nfs/dbraw/zinc/60/54/72/721605472.db2.gz ZRTSGPSUFCEUJZ-SFHVURJKSA-N 0 0 490.725 4.736 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164799984 721605479 /nfs/dbraw/zinc/60/54/79/721605479.db2.gz LTMSYUHLZIWHCI-IBGZPJMESA-N 0 0 473.282 4.826 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164797553 721605560 /nfs/dbraw/zinc/60/55/60/721605560.db2.gz BUXSNMHTBIPWJP-SFHVURJKSA-N 0 0 490.725 4.736 20 0 JJADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)C1 ZINC001164806115 721606211 /nfs/dbraw/zinc/60/62/11/721606211.db2.gz RBNWSWUNHQQTNM-JOCHJYFZSA-N 0 0 494.373 4.929 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164803766 721607237 /nfs/dbraw/zinc/60/72/37/721607237.db2.gz KKDHSWMOPISZES-JTHBVZDNSA-N 0 0 474.939 4.598 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164800535 721607499 /nfs/dbraw/zinc/60/74/99/721607499.db2.gz DYUBSOPIUPIMJX-IERDGZPVSA-N 0 0 483.346 4.738 20 0 JJADRN C[C@@H]1CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007882 721692543 /nfs/dbraw/zinc/69/25/43/721692543.db2.gz GGCXIPIAIJAWBX-PSGMQZRDSA-N 0 0 487.334 4.611 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(Cl)nn1 ZINC001165007794 721728539 /nfs/dbraw/zinc/72/85/39/721728539.db2.gz HQOQLROJIGQVAN-QFIPXVFZSA-N 0 0 464.944 4.578 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)nc1Cl)C[C@@H]2c1ccccc1 ZINC001164912955 721739077 /nfs/dbraw/zinc/73/90/77/721739077.db2.gz RSVMKUAUDANXLW-XMSQKQJNSA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cccc(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909154 721739177 /nfs/dbraw/zinc/73/91/77/721739177.db2.gz COKVIRYMJZERFY-XXBNENTESA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccnc(Cl)c1)C[C@H]2c1ccccc1 ZINC001164909093 721739271 /nfs/dbraw/zinc/73/92/71/721739271.db2.gz BCIGLCHZEPOPJI-NZQKXSOJSA-N 0 0 454.908 4.702 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909860 721739278 /nfs/dbraw/zinc/73/92/78/721739278.db2.gz DYHGOMYWWXMYEE-VGSWGCGISA-N 0 0 490.341 4.750 20 0 JJADRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccc(F)c(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164912803 721739798 /nfs/dbraw/zinc/73/97/98/721739798.db2.gz QGOLARWDOFNFIO-WZONZLPQSA-N 0 0 472.898 4.841 20 0 JJADRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(Cl)ncc1F)C[C@@H]2c1ccccc1 ZINC001164913149 721740698 /nfs/dbraw/zinc/74/06/98/721740698.db2.gz UKPCWZNXYVSVLY-XXBNENTESA-N 0 0 472.898 4.841 20 0 JJADRN COc1ccc(C(F)(F)N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1Cl ZINC001164913091 721741256 /nfs/dbraw/zinc/74/12/56/721741256.db2.gz SLBUDCLTTNHNSZ-DVECYGJZSA-N 0 0 484.934 4.711 20 0 JJADRN Cc1nc(C(F)(F)N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc(Cl)c1C ZINC001164912891 721741612 /nfs/dbraw/zinc/74/16/12/721741612.db2.gz QWIRXPKGPVVYEU-RDPSFJRHSA-N 0 0 483.950 4.714 20 0 JJADRN C[C@H]1CCc2c(sc3ncnc(N4CCc5c(CN(C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911776 721752976 /nfs/dbraw/zinc/75/29/76/721752976.db2.gz ZEIBCVJRMJPEAZ-KRWDZBQOSA-N 0 0 459.619 4.999 20 0 JJADRN C[C@@H]1CCc2c(sc3ncnc(N4CCc5c(CN(C)Cc6ccco6)cncc5C4)c32)C1 ZINC001164911778 721753441 /nfs/dbraw/zinc/75/34/41/721753441.db2.gz ZEIBCVJRMJPEAZ-QGZVFWFLSA-N 0 0 459.619 4.999 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164909546 721754093 /nfs/dbraw/zinc/75/40/93/721754093.db2.gz HOMHZXFMTBVJML-UHFFFAOYSA-N 0 0 457.912 4.944 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)C2 ZINC001164911614 721756565 /nfs/dbraw/zinc/75/65/65/721756565.db2.gz WXRDCPAEVWGXTE-UHFFFAOYSA-N 0 0 482.563 4.801 20 0 JJADRN CCOC(=O)c1cc2ccccc2nc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164911774 721757891 /nfs/dbraw/zinc/75/78/91/721757891.db2.gz ZEHWJUOOCKXYLX-UHFFFAOYSA-N 0 0 456.546 4.594 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164910129 721758977 /nfs/dbraw/zinc/75/89/77/721758977.db2.gz NMJPFTZCYMRYNE-UHFFFAOYSA-N 0 0 457.912 4.944 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001164909628 721759584 /nfs/dbraw/zinc/75/95/84/721759584.db2.gz DNGCIFLSXIWKKG-UHFFFAOYSA-N 0 0 455.349 4.514 20 0 JJADRN CCOC(=O)c1ccc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(Cl)n1 ZINC001164909485 721760275 /nfs/dbraw/zinc/76/02/75/721760275.db2.gz FPCDWZHTVZBVOV-UHFFFAOYSA-N 0 0 490.938 4.639 20 0 JJADRN Cc1cc(OCc2ccccc2)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164912541 721763438 /nfs/dbraw/zinc/76/34/38/721763438.db2.gz ZCMXPGLXICOALT-UHFFFAOYSA-N 0 0 455.562 4.547 20 0 JJADRN CCN(c1ccccc1)c1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ncn1 ZINC001164910477 721763626 /nfs/dbraw/zinc/76/36/26/721763626.db2.gz GIMAWBPGLQCVIS-UHFFFAOYSA-N 0 0 454.578 4.817 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)[C@@H]2C1 ZINC001165017504 721770803 /nfs/dbraw/zinc/77/08/03/721770803.db2.gz RDHYFWPAGUDPDF-MLGOLLRUSA-N 0 0 467.303 4.816 20 0 JJADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001165019680 721772806 /nfs/dbraw/zinc/77/28/06/721772806.db2.gz XBLJDFWEZLBREV-LPHOPBHVSA-N 0 0 458.896 4.676 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c(Cl)nn2)c1 ZINC001165015099 721773650 /nfs/dbraw/zinc/77/36/50/721773650.db2.gz IMTNKXJYLPVFJC-UZLBHIALSA-N 0 0 488.922 4.685 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165021935 721779926 /nfs/dbraw/zinc/77/99/26/721779926.db2.gz QFUZDFOQMHDFFE-AKFKNWHVSA-N 0 0 488.966 4.987 20 0 JJADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165016986 721784090 /nfs/dbraw/zinc/78/40/90/721784090.db2.gz FWPNMWAJJOQEGI-NRFANRHFSA-N 0 0 478.330 4.900 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@H]2CN1c1cccnc1 ZINC001165018896 721793232 /nfs/dbraw/zinc/79/32/32/721793232.db2.gz ISEOWSRRSYDHQT-JXFKEZNVSA-N 0 0 491.929 4.989 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001165026600 721793682 /nfs/dbraw/zinc/79/36/82/721793682.db2.gz ZXBVYDQNONHWDE-DYESRHJHSA-N 0 0 454.908 4.750 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914774 721802604 /nfs/dbraw/zinc/80/26/04/721802604.db2.gz GAFRDFUXJDMOIV-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164916954 721802954 /nfs/dbraw/zinc/80/29/54/721802954.db2.gz SXTWSTKRHJTMBR-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914782 721802990 /nfs/dbraw/zinc/80/29/90/721802990.db2.gz GFWLWBPMFKPCFI-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN F[C@@]1(N2CCc3ncnc(C4CC4)c3CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164917389 721803919 /nfs/dbraw/zinc/80/39/19/721803919.db2.gz WAJPPSBKVKXYEJ-RUZDIDTESA-N 0 0 499.421 4.690 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914788 721806357 /nfs/dbraw/zinc/80/63/57/721806357.db2.gz GJJYBZOKVQEOIZ-FOIQADDNSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914791 721806365 /nfs/dbraw/zinc/80/63/65/721806365.db2.gz GJJYBZOKVQEOIZ-YWZLYKJASA-N 0 0 467.303 4.693 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917320 721806829 /nfs/dbraw/zinc/80/68/29/721806829.db2.gz UXYYZCGCWGKVCJ-LVXARBLLSA-N 0 0 479.650 4.506 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164917318 721806840 /nfs/dbraw/zinc/80/68/40/721806840.db2.gz UXYYZCGCWGKVCJ-HFZDXXHNSA-N 0 0 479.650 4.506 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917408 721807156 /nfs/dbraw/zinc/80/71/56/721807156.db2.gz WHSGJVVYMABYQT-YWZLYKJASA-N 0 0 464.925 4.615 20 0 JJADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915375 721807318 /nfs/dbraw/zinc/80/73/18/721807318.db2.gz JJEMXICRNLDUFT-KNQAVFIVSA-N 0 0 458.896 4.554 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917344 721807643 /nfs/dbraw/zinc/80/76/43/721807643.db2.gz VCYJQRYQUTVGQW-ZBLYBZFDSA-N 0 0 487.629 4.632 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164919180 721808077 /nfs/dbraw/zinc/80/80/77/721808077.db2.gz WEPVYTYYCAVKEC-AUSIDOKSSA-N 0 0 488.922 4.562 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)cc1 ZINC001164916336 721808438 /nfs/dbraw/zinc/80/84/38/721808438.db2.gz GZEYMUKOKUXIGQ-XMSQKQJNSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917250 721808641 /nfs/dbraw/zinc/80/86/41/721808641.db2.gz MBJDRPBASXPIOJ-DJSGYFEHSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915516 721808995 /nfs/dbraw/zinc/80/89/95/721808995.db2.gz BLQIMIXCOZBFJJ-HYSWKAIVSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919516 721809494 /nfs/dbraw/zinc/80/94/94/721809494.db2.gz YTJYLKQRXQULTA-ZWDAVXSWSA-N 0 0 492.979 4.999 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917500 721810190 /nfs/dbraw/zinc/81/01/90/721810190.db2.gz MKNAOTZLVHSFEW-AXAPSJFSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917504 721810202 /nfs/dbraw/zinc/81/02/02/721810202.db2.gz MKNAOTZLVHSFEW-PVXIVEMSSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164916724 721811386 /nfs/dbraw/zinc/81/13/86/721811386.db2.gz IZJPSYMKOVUDER-DETPVDSQSA-N 0 0 483.890 4.956 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001164918565 721820250 /nfs/dbraw/zinc/82/02/50/721820250.db2.gz FXIOTKYGYGXMCO-UHFFFAOYSA-N 0 0 487.982 4.805 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164919498 721821313 /nfs/dbraw/zinc/82/13/13/721821313.db2.gz RYAWABHWNRBYFW-UHFFFAOYSA-N 0 0 461.372 4.536 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CCN4C)cnc2Cl)c1 ZINC001164919439 721822116 /nfs/dbraw/zinc/82/21/16/721822116.db2.gz QWYSZTDIZLKMCX-UHFFFAOYSA-N 0 0 487.982 4.902 20 0 JJADRN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(-c5ccccc5)c5ccccc5n4)CCO3)C2)cs1 ZINC001164920080 721831742 /nfs/dbraw/zinc/83/17/42/721831742.db2.gz AADBVIACJVZVSY-NDEPHWFRSA-N 0 0 486.641 4.775 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924584 721838142 /nfs/dbraw/zinc/83/81/42/721838142.db2.gz NIUWRBQUZIBYRX-LHSJRXKWSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164927265 721838317 /nfs/dbraw/zinc/83/83/17/721838317.db2.gz TWFRRWQKJOAPLG-YCRPNKLZSA-N 0 0 481.330 4.546 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164921735 721839148 /nfs/dbraw/zinc/83/91/48/721839148.db2.gz FLJGVSZZSFLCGL-VFNWGFHPSA-N 0 0 481.330 4.546 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164923218 721841079 /nfs/dbraw/zinc/84/10/79/721841079.db2.gz UDPBWQLGBTZMMC-HXOBKFHXSA-N 0 0 490.913 4.546 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c(Cl)nn2)c1 ZINC001164919651 721841105 /nfs/dbraw/zinc/84/11/05/721841105.db2.gz BXAQZZRAJHODFN-DVECYGJZSA-N 0 0 486.950 4.715 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164919307 721841337 /nfs/dbraw/zinc/84/13/37/721841337.db2.gz AGKMSYKXEUHWEK-VGOFRKELSA-N 0 0 461.896 4.605 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)CC[C@H]21)NC1CCC1 ZINC001164933684 721897359 /nfs/dbraw/zinc/89/73/59/721897359.db2.gz MXSMWYIZUCLVOF-CDMIOBSGSA-N 0 0 491.966 4.727 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@H]21)NC1CCC1 ZINC001164933435 721897407 /nfs/dbraw/zinc/89/74/07/721897407.db2.gz LZBDAXJCICTIAJ-CNDZOEFASA-N 0 0 493.957 4.986 20 0 JJADRN O=C(C1=CC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164929583 721899638 /nfs/dbraw/zinc/89/96/38/721899638.db2.gz VDVUNEMDHGBSMG-UHFFFAOYSA-N 0 0 493.385 4.972 20 0 JJADRN Cn1ccc(CN2CCOCC23CCN(c2ncnc4cc(-c5ccc(Cl)cc5)sc42)CC3)n1 ZINC001164936211 721908098 /nfs/dbraw/zinc/90/80/98/721908098.db2.gz MLQPZGHREJLCKZ-UHFFFAOYSA-N 0 0 495.052 4.617 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164942436 721940754 /nfs/dbraw/zinc/94/07/54/721940754.db2.gz MAKHWNBEESBDBQ-ZEQRLZLVSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164941777 721949797 /nfs/dbraw/zinc/94/97/97/721949797.db2.gz ITBBYJQNMDTXDK-ZEQRLZLVSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)C[C@H]21 ZINC001164951623 721956494 /nfs/dbraw/zinc/95/64/94/721956494.db2.gz ZUZJBWRCQKPPIZ-RTBURBONSA-N 0 0 481.647 4.731 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C[C@@H]21 ZINC001164949143 721959682 /nfs/dbraw/zinc/95/96/82/721959682.db2.gz UDCHJMKWXMWKIA-RRPNLBNLSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C[C@@H]21 ZINC001164949144 721959686 /nfs/dbraw/zinc/95/96/86/721959686.db2.gz UDCHJMKWXMWKIA-SVBPBHIXSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]21 ZINC001164942632 721960635 /nfs/dbraw/zinc/96/06/35/721960635.db2.gz FEFNQROINXKBAF-YADHBBJMSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]21 ZINC001164949033 721960732 /nfs/dbraw/zinc/96/07/32/721960732.db2.gz SRYTYXHDEHCRGW-FCHUYYIVSA-N 0 0 492.929 4.780 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]21 ZINC001164947481 721960770 /nfs/dbraw/zinc/96/07/70/721960770.db2.gz PYZBVFSYYKQINS-YADHBBJMSA-N 0 0 492.929 4.780 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCN(CCOc3ccccc3)CC2)c(Cl)nn1 ZINC001165047157 721962148 /nfs/dbraw/zinc/96/21/48/721962148.db2.gz SAPTWSCXFAXYSX-UHFFFAOYSA-N 0 0 474.939 4.552 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]12 ZINC001164948779 721965791 /nfs/dbraw/zinc/96/57/91/721965791.db2.gz VIDXURDNEUCMJA-GMAHTHKFSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)C[C@@H]12 ZINC001164947146 721966545 /nfs/dbraw/zinc/96/65/45/721966545.db2.gz PUICHEQDDXDLCA-FYYLOGMGSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@H]12 ZINC001164949814 721967370 /nfs/dbraw/zinc/96/73/70/721967370.db2.gz YUQDRTPLEYJTBX-XUZZJYLKSA-N 0 0 483.950 4.506 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]12 ZINC001164947758 721967402 /nfs/dbraw/zinc/96/74/02/721967402.db2.gz RGNDEEBQUIJIQP-QPPBQGQZSA-N 0 0 483.950 4.506 20 0 JJADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164950649 721981592 /nfs/dbraw/zinc/98/15/92/721981592.db2.gz WLRFKIXBGHBTAM-UHFFFAOYSA-N 0 0 498.414 4.547 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCCn4cnc(COc5cccnc5)c4C3)nc(Cl)c2c1 ZINC001164949176 721997721 /nfs/dbraw/zinc/99/77/21/721997721.db2.gz BVSBXSPQGSOHHQ-UHFFFAOYSA-N 0 0 474.874 4.548 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164949713 721998303 /nfs/dbraw/zinc/99/83/03/721998303.db2.gz FPDMQLNMNWUCDJ-UHFFFAOYSA-N 0 0 488.951 4.984 20 0 JJADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950801 721999499 /nfs/dbraw/zinc/99/94/99/721999499.db2.gz JRFBMHIMNJKHJZ-LMNJBCLMSA-N 0 0 490.963 4.570 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]21 ZINC001164950462 722004958 /nfs/dbraw/zinc/00/49/58/722004958.db2.gz CMKSIBDZNUMLKG-ZWKOTPCHSA-N 0 0 478.934 4.914 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@@H]21 ZINC001164951759 722005543 /nfs/dbraw/zinc/00/55/43/722005543.db2.gz IVBXYOCSROFWFM-JKSUJKDBSA-N 0 0 468.895 4.507 20 0 JJADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@H]21 ZINC001164951747 722005573 /nfs/dbraw/zinc/00/55/73/722005573.db2.gz IVBXYOCSROFWFM-CVEARBPZSA-N 0 0 468.895 4.507 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C3)C[C@@H](NC(=O)N(C)C)CCO4)cnc2Cl)c1 ZINC001164955562 722011544 /nfs/dbraw/zinc/01/15/44/722011544.db2.gz WQMHSUTZQMTOIW-CVDCTZTESA-N 0 0 478.971 4.654 20 0 JJADRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C2)C1 ZINC001164954660 722011635 /nfs/dbraw/zinc/01/16/35/722011635.db2.gz NWUMINQGUBCJGQ-AVRDEDQJSA-N 0 0 499.389 4.999 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cc(C)nc(Cl)c2)C3)n1 ZINC001164957393 722025702 /nfs/dbraw/zinc/02/57/02/722025702.db2.gz BOGQNZNCHZHINW-IRLDBZIGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2ccnc(Cl)c2F)C3)n1 ZINC001164959012 722025924 /nfs/dbraw/zinc/02/59/24/722025924.db2.gz HJXCJFVFJGDOQK-RXVVDRJESA-N 0 0 455.908 4.715 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)n1 ZINC001164957457 722025957 /nfs/dbraw/zinc/02/59/57/722025957.db2.gz CCYPNHMGAPPJOY-WIYYLYMNSA-N 0 0 485.000 4.693 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2ccnc(Cl)c2F)C3)n1 ZINC001164959014 722026056 /nfs/dbraw/zinc/02/60/56/722026056.db2.gz HJXCJFVFJGDOQK-WIYYLYMNSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ccc2F)C3)n1 ZINC001164964319 722026658 /nfs/dbraw/zinc/02/66/58/722026658.db2.gz WHNSLNYRITVUHC-RXVVDRJESA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc(C)c(Cl)n2)C3)n1 ZINC001164959894 722026843 /nfs/dbraw/zinc/02/68/43/722026843.db2.gz JJOJIDAKYIWONR-IRLDBZIGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2ccc(C)c(Cl)n2)C3)n1 ZINC001164959896 722026901 /nfs/dbraw/zinc/02/69/01/722026901.db2.gz JJOJIDAKYIWONR-RBBKRZOGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ccc2C)C3)n1 ZINC001164957951 722026954 /nfs/dbraw/zinc/02/69/54/722026954.db2.gz CHUUGNJGVOFRPC-KNQAVFIVSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C3)n1 ZINC001164961466 722027198 /nfs/dbraw/zinc/02/71/98/722027198.db2.gz OBPQOWSXSVNGBW-UTKZUKDTSA-N 0 0 487.378 4.710 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)n1 ZINC001164964999 722027541 /nfs/dbraw/zinc/02/75/41/722027541.db2.gz YUWLPYHNYCBBIZ-GMAHTHKFSA-N 0 0 478.971 4.848 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164958991 722028205 /nfs/dbraw/zinc/02/82/05/722028205.db2.gz HJSLYZFSCRVGHZ-BBWFWOEESA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164962633 722028860 /nfs/dbraw/zinc/02/88/60/722028860.db2.gz YJFQNACMNVAIDS-BRWVUGGUSA-N 0 0 485.293 4.831 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164956901 722029743 /nfs/dbraw/zinc/02/97/43/722029743.db2.gz KRFYLLLHHRSGKG-JFIYKMOQSA-N 0 0 482.915 4.753 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164958619 722029784 /nfs/dbraw/zinc/02/97/84/722029784.db2.gz OZZWIWRJAZQRMV-AQNXPRMDSA-N 0 0 476.886 4.691 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164960156 722029974 /nfs/dbraw/zinc/02/99/74/722029974.db2.gz UBZCQAJZZZXXGD-ZCNNSNEGSA-N 0 0 494.876 4.830 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164960153 722030170 /nfs/dbraw/zinc/03/01/70/722030170.db2.gz UBZCQAJZZZXXGD-UFYCRDLUSA-N 0 0 494.876 4.830 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164957443 722030313 /nfs/dbraw/zinc/03/03/13/722030313.db2.gz LZZFNZLQGMPFDI-UHOSZYNNSA-N 0 0 465.859 4.889 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)c(Cl)nn1 ZINC001164958429 722030398 /nfs/dbraw/zinc/03/03/98/722030398.db2.gz OYGSSPNKWKHUSI-ZCNNSNEGSA-N 0 0 494.876 4.830 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164956316 722034882 /nfs/dbraw/zinc/03/48/82/722034882.db2.gz DVAVORQOWOYOOC-RCZVLFRGSA-N 0 0 498.961 4.787 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164956511 722035442 /nfs/dbraw/zinc/03/54/42/722035442.db2.gz HJMGSUZNUSTOOC-GBXCKJPGSA-N 0 0 483.950 4.578 20 0 JJADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(CN4CCC(C)CC4)nc4scc(-c5cccs5)c43)C[C@H]21 ZINC001164959358 722039650 /nfs/dbraw/zinc/03/96/50/722039650.db2.gz GKNRFWCCMHODMZ-CYGODWOOSA-N 0 0 495.718 4.859 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]3O2)n1 ZINC001164957263 722043253 /nfs/dbraw/zinc/04/32/53/722043253.db2.gz ANLFMWFQFQGQHW-HHXXYDBFSA-N 0 0 452.933 4.855 20 0 JJADRN Cc1noc(C[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C)c5)c4)C[C@H]3O2)n1 ZINC001164958502 722043371 /nfs/dbraw/zinc/04/33/71/722043371.db2.gz DSVLWGPWNIRSTF-ILZDJORESA-N 0 0 460.912 4.783 20 0 JJADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C3)CC2=O)s1 ZINC001164959140 722043841 /nfs/dbraw/zinc/04/38/41/722043841.db2.gz HLEDFOBTMLCDSQ-FQEVSTJZSA-N 0 0 466.916 4.971 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)c(Cl)nn2)cc1 ZINC001164960423 722049081 /nfs/dbraw/zinc/04/90/81/722049081.db2.gz WDDHQZIDMWDAPJ-APWZRJJASA-N 0 0 458.896 4.594 20 0 JJADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960224 722049882 /nfs/dbraw/zinc/04/98/82/722049882.db2.gz UIMWYAPYYMHWRO-UHFFFAOYSA-N 0 0 458.875 4.908 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164965477 722066094 /nfs/dbraw/zinc/06/60/94/722066094.db2.gz KFMXZQUQMHNGAX-HZPDHXFCSA-N 0 0 466.966 4.958 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[C@@H](C(=O)NC6CCC6)C[C@@H]5C4)c32)C1 ZINC001164978378 722085628 /nfs/dbraw/zinc/08/56/28/722085628.db2.gz YWFYSFDLPBROPX-HAGHYFMRSA-N 0 0 493.721 4.543 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2c2ccccc21 ZINC001164976880 722090365 /nfs/dbraw/zinc/09/03/65/722090365.db2.gz UHPFCVUQUHOAHR-JQWIXIFHSA-N 0 0 482.767 4.586 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2c2ccccc21 ZINC001164975843 722090902 /nfs/dbraw/zinc/09/09/02/722090902.db2.gz RAMIGTRZBKTMLO-KBXCAEBGSA-N 0 0 479.936 4.540 20 0 JJADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164971174 722091262 /nfs/dbraw/zinc/09/12/62/722091262.db2.gz ALPOGXHMVFQFBC-HNNXBMFYSA-N 0 0 466.935 4.880 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001164974567 722097939 /nfs/dbraw/zinc/09/79/39/722097939.db2.gz AIVDJVOOPNDMRS-MIZPHKNDSA-N 0 0 483.950 4.888 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@@H]3C2)n1 ZINC001164979141 722097956 /nfs/dbraw/zinc/09/79/56/722097956.db2.gz HFLAEYVBPHHHOD-LGVFNWMJSA-N 0 0 492.693 4.696 20 0 JJADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@]3(C2)c2ccccc2N(C)C3=O)cc1 ZINC001164982515 722162503 /nfs/dbraw/zinc/16/25/03/722162503.db2.gz WDKNZFJWGTUORN-VWLOTQADSA-N 0 0 497.929 4.858 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164982565 722165268 /nfs/dbraw/zinc/16/52/68/722165268.db2.gz WNIKWZFWYVKSGH-IIBYNOLFSA-N 0 0 452.933 4.558 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976196 722166723 /nfs/dbraw/zinc/16/67/23/722166723.db2.gz KHHMWRKOBNGNAL-MGPUTAFESA-N 0 0 472.989 4.705 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc1Cl ZINC001164978758 722170263 /nfs/dbraw/zinc/17/02/63/722170263.db2.gz SFFSZDCPJSMEBJ-CEXWTWQISA-N 0 0 463.912 4.553 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164977992 722170738 /nfs/dbraw/zinc/17/07/38/722170738.db2.gz OWSWVHUTSSNBEX-QHAWAJNXSA-N 0 0 489.950 4.943 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)CC[C@@H]32)cs1 ZINC001164989574 722175365 /nfs/dbraw/zinc/17/53/65/722175365.db2.gz UFXBUUHSUUSNOC-HOTGVXAUSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)CC[C@@H]32)cs1 ZINC001164984140 722176271 /nfs/dbraw/zinc/17/62/71/722176271.db2.gz DCXUXDDYMOEFJB-DLBZAZTESA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]32)cs1 ZINC001164989976 722180819 /nfs/dbraw/zinc/18/08/19/722180819.db2.gz MZPIVBHWZHLQBY-JWQCQUIFSA-N 0 0 498.656 4.840 20 0 JJADRN COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164990507 722184108 /nfs/dbraw/zinc/18/41/08/722184108.db2.gz NRIPCHVKLOJTPC-SFTDATJTSA-N 0 0 459.015 4.532 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164987638 722184733 /nfs/dbraw/zinc/18/47/33/722184733.db2.gz LCXWQCLMSISKBG-ROUUACIJSA-N 0 0 475.030 4.637 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1 ZINC001164987636 722184767 /nfs/dbraw/zinc/18/47/67/722184767.db2.gz LCXWQCLMSISKBG-MSOLQXFVSA-N 0 0 475.030 4.637 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc6c(c54)CCCC6)CC[C@H]32)cs1 ZINC001164986754 722185015 /nfs/dbraw/zinc/18/50/15/722185015.db2.gz GJALIPAQHGFQNJ-WOJBJXKFSA-N 0 0 469.680 4.513 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc6c(c54)CCCC6)CC[C@@H]32)cs1 ZINC001164986751 722185047 /nfs/dbraw/zinc/18/50/47/722185047.db2.gz GJALIPAQHGFQNJ-VQTJNVASSA-N 0 0 469.680 4.513 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc6c(c54)CCCCC6)CC[C@@H]32)cs1 ZINC001164987288 722185248 /nfs/dbraw/zinc/18/52/48/722185248.db2.gz JGWSMQGNYUJCLP-LEWJYISDSA-N 0 0 483.707 4.903 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(Cl)nc4Oc4ccc(F)cc4)CC[C@H]32)cs1 ZINC001164986995 722185332 /nfs/dbraw/zinc/18/53/32/722185332.db2.gz HWCUYUWYBNCMLN-TZIWHRDSSA-N 0 0 490.004 4.696 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5ccc(Cl)cc54)CC[C@H]32)cs1 ZINC001164989011 722185987 /nfs/dbraw/zinc/18/59/87/722185987.db2.gz NSMZUPXKYBMGFG-RTBURBONSA-N 0 0 464.422 4.571 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[C@H]32)cs1 ZINC001164992139 722186169 /nfs/dbraw/zinc/18/61/69/722186169.db2.gz VFMGKSVVCVKSPC-MOPGFXCFSA-N 0 0 479.984 4.856 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC[C@H]32)cs1 ZINC001164992148 722186208 /nfs/dbraw/zinc/18/62/08/722186208.db2.gz VFMGKSVVCVKSPC-RTBURBONSA-N 0 0 479.984 4.856 20 0 JJADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164990264 722186258 /nfs/dbraw/zinc/18/62/58/722186258.db2.gz RDUUEZGBRTYAMO-GDIGMMSISA-N 0 0 450.052 4.587 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccccc4C)CC[C@H]32)cs1 ZINC001164992536 722186431 /nfs/dbraw/zinc/18/64/31/722186431.db2.gz WWMNEIVLCXHEJH-KNQAVFIVSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4cnc(Cl)nc4Oc4ccc(C)cc4)CC[C@@H]32)cs1 ZINC001164988115 722186464 /nfs/dbraw/zinc/18/64/64/722186464.db2.gz LRUMJANCHQKCPO-UNMCSNQZSA-N 0 0 486.041 4.865 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)CC[C@H]32)cs1 ZINC001164986835 722186712 /nfs/dbraw/zinc/18/67/12/722186712.db2.gz HNFBSWKLOFWKAY-UXHICEINSA-N 0 0 469.001 4.792 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]12 ZINC001164988318 722187024 /nfs/dbraw/zinc/18/70/24/722187024.db2.gz DNSLYNGRLWNKCP-GGAORHGYSA-N 0 0 491.991 4.615 20 0 JJADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]12 ZINC001164993366 722187114 /nfs/dbraw/zinc/18/71/14/722187114.db2.gz ZAQUODHAIXKDNA-NZQKXSOJSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164992983 722187813 /nfs/dbraw/zinc/18/78/13/722187813.db2.gz XACUZAINTBNLNF-IBGZPJMESA-N 0 0 470.004 4.650 20 0 JJADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC1)C(=O)N2 ZINC001164992081 722187862 /nfs/dbraw/zinc/18/78/62/722187862.db2.gz VGSQZMQETXTPRU-UHFFFAOYSA-N 0 0 483.346 4.562 20 0 JJADRN CSc1ccc(C(F)(F)N2CCC3(CC2)C(=O)Nc2ccc(C(=O)NC(C)C)cc23)nc1Cl ZINC001164989475 722187961 /nfs/dbraw/zinc/18/79/61/722187961.db2.gz FVIBSUPLDVIPQZ-UHFFFAOYSA-N 0 0 494.995 4.630 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)c2cc(C)ccc21 ZINC001164989343 722189747 /nfs/dbraw/zinc/18/97/47/722189747.db2.gz MGSLIXGYFFFDKP-UHFFFAOYSA-N 0 0 483.950 4.950 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC2)c2cc(C)ccc21 ZINC001164989877 722189863 /nfs/dbraw/zinc/18/98/63/722189863.db2.gz QYWSIBZTWWZYTN-UHFFFAOYSA-N 0 0 478.927 4.585 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(-c4ccc(C(C)C)cc4)nnc3Cl)[C@H]2C1 ZINC001164998131 722217046 /nfs/dbraw/zinc/21/70/46/722217046.db2.gz UFDMLGHSEGUEPK-YUXAGFNASA-N 0 0 492.998 4.974 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](C(=O)NC(C)C)C[C@H]43)cnc2Cl)c1 ZINC001164997797 722217425 /nfs/dbraw/zinc/21/74/25/722217425.db2.gz RXAZQNVBTPCGEP-DUXKGJEZSA-N 0 0 463.956 4.764 20 0 JJADRN O=C1C[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999276 722220266 /nfs/dbraw/zinc/22/02/66/722220266.db2.gz PRDKKXXSDQMAMK-DEOSSOPVSA-N 0 0 498.917 4.704 20 0 JJADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnc(Cl)c(F)c3)CC2)c2ccccc21 ZINC001164998585 722220666 /nfs/dbraw/zinc/22/06/66/722220666.db2.gz KAZOAEJIEVEVKI-UHFFFAOYSA-N 0 0 461.915 4.880 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001165000352 722221301 /nfs/dbraw/zinc/22/13/01/722221301.db2.gz WPDAOHBZDPEHIX-XMMPIXPASA-N 0 0 465.041 4.911 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c(Cl)n1 ZINC001164999919 722221394 /nfs/dbraw/zinc/22/13/94/722221394.db2.gz TYQGFUZKBKGNHJ-HXUWFJFHSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164998633 722221426 /nfs/dbraw/zinc/22/14/26/722221426.db2.gz KWIWCHKPHQWISB-NDEPHWFRSA-N 0 0 493.655 4.615 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001165000861 722221441 /nfs/dbraw/zinc/22/14/41/722221441.db2.gz ZWZYMYGUURVDRM-NRFANRHFSA-N 0 0 489.950 4.647 20 0 JJADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164997374 722221630 /nfs/dbraw/zinc/22/16/30/722221630.db2.gz CPIYVEQAZVRWRF-FQEVSTJZSA-N 0 0 481.374 4.994 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)[C@@H]1Cc1cnn(C)c1 ZINC001164997918 722223036 /nfs/dbraw/zinc/22/30/36/722223036.db2.gz DXVMFTOSVKQVOY-YADHBBJMSA-N 0 0 476.955 4.533 20 0 JJADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)[C@H]1Cc1cnn(C)c1 ZINC001164999011 722224969 /nfs/dbraw/zinc/22/49/69/722224969.db2.gz GQSDBINFMQKULV-VXKWHMMOSA-N 0 0 494.945 4.673 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)[C@H]1Cc1cnn(C)c1 ZINC001165000044 722225686 /nfs/dbraw/zinc/22/56/86/722225686.db2.gz PKRXRSOJFKXJAO-XZOQPEGZSA-N 0 0 490.982 4.842 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)n1 ZINC001165000038 722227415 /nfs/dbraw/zinc/22/74/15/722227415.db2.gz PHACEHHKVVCVTR-LJQANCHMSA-N 0 0 492.933 4.695 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)n1 ZINC001164998371 722227502 /nfs/dbraw/zinc/22/75/02/722227502.db2.gz BEFSHFCMWMRSTK-IBGZPJMESA-N 0 0 474.943 4.556 20 0 JJADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)n1 ZINC001164999196 722227561 /nfs/dbraw/zinc/22/75/61/722227561.db2.gz JUMBDILIHIOFKY-IBGZPJMESA-N 0 0 492.933 4.695 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001165000384 722247928 /nfs/dbraw/zinc/24/79/28/722247928.db2.gz HKQGSOUGZFBQTQ-UHFFFAOYSA-N 0 0 491.285 4.680 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001165000164 722248073 /nfs/dbraw/zinc/24/80/73/722248073.db2.gz FKHNDFLNWHJSCJ-UHFFFAOYSA-N 0 0 482.878 4.540 20 0 JJADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001165002075 722248293 /nfs/dbraw/zinc/24/82/93/722248293.db2.gz VRIMVIXLCVIBEM-UHFFFAOYSA-N 0 0 455.852 4.631 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCO2 ZINC001165000740 722248848 /nfs/dbraw/zinc/24/88/48/722248848.db2.gz KHCKAKZSMPAGAW-NRFANRHFSA-N 0 0 497.329 4.586 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCO2 ZINC001165001687 722249057 /nfs/dbraw/zinc/24/90/57/722249057.db2.gz SKKZEKYKQIVXPN-OAQYLSRUSA-N 0 0 497.329 4.586 20 0 JJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165005804 722271691 /nfs/dbraw/zinc/27/16/91/722271691.db2.gz KETLMPIDDIONIY-RTBURBONSA-N 0 0 450.913 4.683 20 0 JJADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c(Cl)n1 ZINC001165007005 722271715 /nfs/dbraw/zinc/27/17/15/722271715.db2.gz SVRDKHJCIOMXIA-VQTJNVASSA-N 0 0 450.913 4.683 20 0 JJADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165004860 722272011 /nfs/dbraw/zinc/27/20/11/722272011.db2.gz DDRXYDYTWXIRBS-OALUTQOASA-N 0 0 460.912 4.947 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cnc1Cl ZINC001165004869 722272272 /nfs/dbraw/zinc/27/22/72/722272272.db2.gz DDVXPKIDOYTOCL-VQTJNVASSA-N 0 0 484.996 4.690 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007491 722273426 /nfs/dbraw/zinc/27/34/26/722273426.db2.gz CMUANMXUNJWVSW-YXKFXFPPSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007488 722273457 /nfs/dbraw/zinc/27/34/57/722273457.db2.gz CMUANMXUNJWVSW-ASUYLVSUSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008501 722273578 /nfs/dbraw/zinc/27/35/78/722273578.db2.gz KBFSWRPCMCHCAE-PSGMQZRDSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009190 722273754 /nfs/dbraw/zinc/27/37/54/722273754.db2.gz NZAJWRXYXYCNGA-XLHILCRZSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncnc(Cl)c3c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010289 722274014 /nfs/dbraw/zinc/27/40/14/722274014.db2.gz VFDYRZHQYJKUEH-OFSQETHSSA-N 0 0 487.938 4.626 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1Cl ZINC001165009365 722274554 /nfs/dbraw/zinc/27/45/54/722274554.db2.gz PJSNHAFQKRVTKD-IVZHQMGZSA-N 0 0 482.984 4.800 20 0 JJADRN CC(C)c1csc(NC(=O)c2ccc(Br)cc2I)n1 ZINC001435156772 1064553528 /nfs/dbraw/zinc/55/35/28/1064553528.db2.gz GCNATCRQOIROIE-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN CC(C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359712106 1064260522 /nfs/dbraw/zinc/26/05/22/1064260522.db2.gz GHUOTGKILPFXNL-UHFFFAOYSA-N 0 0 480.657 4.685 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001359713199 1064261444 /nfs/dbraw/zinc/26/14/44/1064261444.db2.gz CCJKRVKENJCXPY-UHFFFAOYSA-N 0 0 463.548 4.733 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCc1csc(C(C)(C)C)n1 ZINC001545851293 1064261656 /nfs/dbraw/zinc/26/16/56/1064261656.db2.gz BIAIYDJIXFTEFH-IAGOWNOFSA-N 0 0 460.692 4.818 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CCCC(C)(C)C ZINC001359713474 1064261825 /nfs/dbraw/zinc/26/18/25/1064261825.db2.gz OCDUECRSRGARPT-UHFFFAOYSA-N 0 0 450.002 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC1CC(C)(C)C1 ZINC001545852140 1064262314 /nfs/dbraw/zinc/26/23/14/1064262314.db2.gz OHLFSAUCTWORCX-AVRDEDQJSA-N 0 0 453.631 4.599 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CCCC(C)(C)C ZINC001545852322 1064262388 /nfs/dbraw/zinc/26/23/88/1064262388.db2.gz RGSSRNJRPXLBDL-DENIHFKCSA-N 0 0 455.647 4.989 20 0 JJADRN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001359714063 1064262352 /nfs/dbraw/zinc/26/23/52/1064262352.db2.gz JLDBKBGCGLNQSP-FPOVZHCZSA-N 0 0 456.635 4.682 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC001545852996 1064262816 /nfs/dbraw/zinc/26/28/16/1064262816.db2.gz DBJIIPZLPQAZNJ-QGZVFWFLSA-N 0 0 453.901 4.767 20 0 JJADRN CC(C)c1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359715594 1064263671 /nfs/dbraw/zinc/26/36/71/1064263671.db2.gz FVEUFMCAZIDTFG-INIZCTEOSA-N 0 0 464.561 4.808 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545854418 1064263672 /nfs/dbraw/zinc/26/36/72/1064263672.db2.gz GSFNTIWGSHOVGU-AFMYVXGZSA-N 0 0 499.622 4.697 20 0 JJADRN CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001359715761 1064264201 /nfs/dbraw/zinc/26/42/01/1064264201.db2.gz KXLHAIMVTZVSQE-AOMKIAJQSA-N 0 0 485.982 4.951 20 0 JJADRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001545856356 1064264437 /nfs/dbraw/zinc/26/44/37/1064264437.db2.gz XBDYPEHSOCLQRY-HRAATJIYSA-N 0 0 458.530 4.516 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001545855520 1064264485 /nfs/dbraw/zinc/26/44/85/1064264485.db2.gz XEHMNQOXUQRSEI-HUUCEWRRSA-N 0 0 469.577 4.594 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001545855518 1064264520 /nfs/dbraw/zinc/26/45/20/1064264520.db2.gz XEHMNQOXUQRSEI-GASCZTMLSA-N 0 0 469.577 4.594 20 0 JJADRN CC(C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCSCc1ccccc1F ZINC001359716776 1064265116 /nfs/dbraw/zinc/26/51/16/1064265116.db2.gz USHMHKOIZQHNEP-UHFFFAOYSA-N 0 0 475.037 4.849 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCc1ccc(OC)cc1 ZINC001545856952 1064265558 /nfs/dbraw/zinc/26/55/58/1064265558.db2.gz LYDYMEWTSRUYQS-OAQYLSRUSA-N 0 0 453.631 4.607 20 0 JJADRN C[C@H](CONC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)NC(=O)OC(C)(C)C ZINC001545858039 1064266438 /nfs/dbraw/zinc/26/64/38/1064266438.db2.gz IXSGNKWXQCIRSC-GFCCVEGCSA-N 0 0 456.326 4.755 20 0 JJADRN CC(C)c1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001359719232 1064266757 /nfs/dbraw/zinc/26/67/57/1064266757.db2.gz GOONEUZDOSBGKT-PZJWPPBQSA-N 0 0 474.719 4.539 20 0 JJADRN CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359719586 1064266841 /nfs/dbraw/zinc/26/68/41/1064266841.db2.gz QHTMFZDWSODWPL-QGZVFWFLSA-N 0 0 492.521 4.849 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1Cc1nc(C(F)(F)F)cs1 ZINC001545859054 1064267505 /nfs/dbraw/zinc/26/75/05/1064267505.db2.gz COJWSBCDNIBUCR-GDBMZVCRSA-N 0 0 484.592 4.879 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CCSCC(F)(F)F ZINC001545859240 1064267609 /nfs/dbraw/zinc/26/76/09/1064267609.db2.gz HQZCQAWVIRLMTP-RDJZCZTQSA-N 0 0 461.598 4.651 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCOc1cccc(C)c1 ZINC001545859394 1064268248 /nfs/dbraw/zinc/26/82/48/1064268248.db2.gz LTNYQXHBFIQHLR-UHFFFAOYSA-N 0 0 453.631 4.767 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001545860034 1064268517 /nfs/dbraw/zinc/26/85/17/1064268517.db2.gz ZDZZTWFBZAOJLT-KRWDZBQOSA-N 0 0 492.624 4.604 20 0 JJADRN Cc1cc(CN(CC(C)C)C(=O)CSc2nc3ccccc3o2)nc(N2CCCCC2)n1 ZINC001545860277 1064268532 /nfs/dbraw/zinc/26/85/32/1064268532.db2.gz JSIAQMODBUTTBF-UHFFFAOYSA-N 0 0 453.612 4.693 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001545859848 1064268634 /nfs/dbraw/zinc/26/86/34/1064268634.db2.gz VQNDGKYMKLQYLX-AREMUKBSSA-N 0 0 459.679 4.710 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)c3ccccc3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001545860949 1064269147 /nfs/dbraw/zinc/26/91/47/1064269147.db2.gz KSOBRELFIGFRJT-SFHVURJKSA-N 0 0 487.595 4.731 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001359723046 1064269621 /nfs/dbraw/zinc/26/96/21/1064269621.db2.gz IVCIWYLNYRMOST-QFIPXVFZSA-N 0 0 485.604 4.686 20 0 JJADRN CC(C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359722992 1064269679 /nfs/dbraw/zinc/26/96/79/1064269679.db2.gz IAJYNURRIPBJSX-GOSISDBHSA-N 0 0 457.619 4.995 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001545862160 1064269658 /nfs/dbraw/zinc/26/96/58/1064269658.db2.gz BJMRJGWOESWOPF-UHFFFAOYSA-N 0 0 463.573 4.719 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001545862408 1064270181 /nfs/dbraw/zinc/27/01/81/1064270181.db2.gz IMZXBKWFRIBRQP-MSOLQXFVSA-N 0 0 459.610 4.676 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001359723193 1064270271 /nfs/dbraw/zinc/27/02/71/1064270271.db2.gz MAPPYKOGKMMDPD-YLJYHZDGSA-N 0 0 478.037 4.888 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1C[C@H]1CCCS1 ZINC001359723641 1064270828 /nfs/dbraw/zinc/27/08/28/1064270828.db2.gz WCEPKMPOHJZFRD-MSOLQXFVSA-N 0 0 451.434 4.638 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001545862942 1064271342 /nfs/dbraw/zinc/27/13/42/1064271342.db2.gz XLSTVASQGDWSHG-JOCHJYFZSA-N 0 0 459.610 4.596 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](c3ccc(Cl)s3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001359723779 1064271397 /nfs/dbraw/zinc/27/13/97/1064271397.db2.gz YQUCMLJVLNGNTG-YWZLYKJASA-N 0 0 453.033 4.664 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccccc1OC(F)F ZINC001545863909 1064271885 /nfs/dbraw/zinc/27/18/85/1064271885.db2.gz FAWPWHQJLJFBAW-UHFFFAOYSA-N 0 0 489.489 4.625 20 0 JJADRN CC(C)c1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@H]1CCCS1 ZINC001359724564 1064272583 /nfs/dbraw/zinc/27/25/83/1064272583.db2.gz PRQIMKURYSSGNK-CRAIPNDOSA-N 0 0 451.434 4.638 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1cccc(C)c1 ZINC001545864659 1064272588 /nfs/dbraw/zinc/27/25/88/1064272588.db2.gz YULJSQYWBLERGY-UHFFFAOYSA-N 0 0 491.480 4.874 20 0 JJADRN CC(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359725742 1064272958 /nfs/dbraw/zinc/27/29/58/1064272958.db2.gz RMOKNSCVVHWCBG-ACIOBRDBSA-N 0 0 456.631 4.527 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1 ZINC001545865139 1064273055 /nfs/dbraw/zinc/27/30/55/1064273055.db2.gz PDMVPDSQKUOOPH-LJQANCHMSA-N 0 0 452.599 4.978 20 0 JJADRN CC(C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCc1cc(Br)ccc1F ZINC001359726482 1064273043 /nfs/dbraw/zinc/27/30/43/1064273043.db2.gz NEGZGTZENMHJOE-UHFFFAOYSA-N 0 0 483.451 4.648 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001545865525 1064273812 /nfs/dbraw/zinc/27/38/12/1064273812.db2.gz DQVISFXMJQIHED-FCHUYYIVSA-N 0 0 481.685 4.878 20 0 JJADRN CC(C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359727623 1064274031 /nfs/dbraw/zinc/27/40/31/1064274031.db2.gz AXADNZVBQCWCCZ-INIZCTEOSA-N 0 0 456.419 4.911 20 0 JJADRN CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1csc(-c2ccccc2)n1 ZINC001359727524 1064274225 /nfs/dbraw/zinc/27/42/25/1064274225.db2.gz XYAWYNMTROAJNP-IBGZPJMESA-N 0 0 482.654 4.871 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1CCCn1ccnc1C ZINC001545865687 1064274185 /nfs/dbraw/zinc/27/41/85/1064274185.db2.gz JEVJTQMFBFKXAC-UHFFFAOYSA-N 0 0 491.684 4.658 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1CC[C@H]1CCOc2ccccc21 ZINC001545865787 1064274248 /nfs/dbraw/zinc/27/42/48/1064274248.db2.gz MLAOZJAKFPKZNG-SIBVEZHUSA-N 0 0 453.631 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3ccc(C)cc3)CC2)n1Cc1ncccc1C ZINC001545865706 1064274290 /nfs/dbraw/zinc/27/42/90/1064274290.db2.gz 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CC(C)CC(=O)Nc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)c1 ZINC001434890216 1064320567 /nfs/dbraw/zinc/32/05/67/1064320567.db2.gz LVYYITHSGOXUTJ-UHFFFAOYSA-N 0 0 452.505 4.554 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001359745881 1064321209 /nfs/dbraw/zinc/32/12/09/1064321209.db2.gz SPTSGHREXIOVJJ-LJQANCHMSA-N 0 0 474.049 4.784 20 0 JJADRN CC(C)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001359745919 1064321503 /nfs/dbraw/zinc/32/15/03/1064321503.db2.gz UQCZFNCMRLIJNP-HJNYFJLDSA-N 0 0 475.678 4.895 20 0 JJADRN CC(C)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001359746035 1064321923 /nfs/dbraw/zinc/32/19/23/1064321923.db2.gz XRUUOHXDGPZEBH-PBDKAQRYSA-N 0 0 489.705 4.862 20 0 JJADRN CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001359746040 1064322105 /nfs/dbraw/zinc/32/21/05/1064322105.db2.gz XTQBPSGPSLYQFS-DEOSSOPVSA-N 0 0 458.990 4.884 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(cccc3OC)C2)n1CC(C)(C)c1cccs1 ZINC001545887147 1064322230 /nfs/dbraw/zinc/32/22/30/1064322230.db2.gz WXMCUWHGLRDEHJ-UHFFFAOYSA-N 0 0 481.666 4.807 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)CCS1 ZINC001359746254 1064322680 /nfs/dbraw/zinc/32/26/80/1064322680.db2.gz BXMYVHYXIKYJMY-OAHLLOKOSA-N 0 0 460.392 4.659 20 0 JJADRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001434894985 1064323954 /nfs/dbraw/zinc/32/39/54/1064323954.db2.gz CIQYQMYDMABACR-UHFFFAOYSA-N 0 0 455.436 4.949 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)c2ccccc2)CCO1 ZINC001359746473 1064324275 /nfs/dbraw/zinc/32/42/75/1064324275.db2.gz GYIANMSOQHPFGE-GOSISDBHSA-N 0 0 480.357 4.689 20 0 JJADRN COCC1(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CCOCC1 ZINC001434896560 1064324318 /nfs/dbraw/zinc/32/43/18/1064324318.db2.gz WFQUMWVYEGCFLQ-UHFFFAOYSA-N 0 0 450.457 4.648 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCC2)CCS1 ZINC001359746807 1064325317 /nfs/dbraw/zinc/32/53/17/1064325317.db2.gz NUBSRFSJBXHWQI-FQEVSTJZSA-N 0 0 462.063 4.630 20 0 JJADRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)CCOC4)cc2Cl)n1 ZINC001434897268 1064325566 /nfs/dbraw/zinc/32/55/66/1064325566.db2.gz OZLLPPBEPBHXQG-INIZCTEOSA-N 0 0 452.942 4.678 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2CCCCO2)CCO1 ZINC001359746998 1064326002 /nfs/dbraw/zinc/32/60/02/1064326002.db2.gz RGPGLIVRYMGPLV-UXHICEINSA-N 0 0 463.420 4.528 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001359747143 1064326049 /nfs/dbraw/zinc/32/60/49/1064326049.db2.gz UUXQMKKFBNMZIO-RBUKOAKNSA-N 0 0 481.410 4.523 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCOC2CCCCCC2)CCO1 ZINC001359746954 1064326066 /nfs/dbraw/zinc/32/60/66/1064326066.db2.gz PYMKCVSHJWIVLZ-OAQYLSRUSA-N 0 0 494.478 4.647 20 0 JJADRN CCO[C@H](C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@@H]1CCOC1 ZINC001434897964 1064326150 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JJADRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001434899447 1064327863 /nfs/dbraw/zinc/32/78/63/1064327863.db2.gz VGMYRKBKNAXDBR-UHFFFAOYSA-N 0 0 458.227 4.804 20 0 JJADRN O=C(c1cccc(Br)c1I)N1CC[C@@H](c2ccccc2)C1 ZINC001434899479 1064327869 /nfs/dbraw/zinc/32/78/69/1064327869.db2.gz GKFJMSYIJAUTHH-CYBMUJFWSA-N 0 0 456.121 4.683 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001434900834 1064328423 /nfs/dbraw/zinc/32/84/23/1064328423.db2.gz LUBYNXKIFKGGOU-HRAATJIYSA-N 0 0 454.420 4.599 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCCCCO)CCS1 ZINC001359747509 1064328869 /nfs/dbraw/zinc/32/88/69/1064328869.db2.gz CXECSIKKDLJYOZ-INIZCTEOSA-N 0 0 473.506 4.900 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)C2CCCCC2)CCO1 ZINC001359747522 1064329091 /nfs/dbraw/zinc/32/90/91/1064329091.db2.gz DAFMIEZOKYIJQG-URXFXBBRSA-N 0 0 465.013 4.930 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC001434901545 1064329008 /nfs/dbraw/zinc/32/90/08/1064329008.db2.gz PJYYDHYEMBRFID-DLBZAZTESA-N 0 0 453.539 4.720 20 0 JJADRN Cc1cc(C(F)(F)C(=O)NC2(c3cccc(Br)c3)CCOCC2)cnc1Cl ZINC001434901877 1064329708 /nfs/dbraw/zinc/32/97/08/1064329708.db2.gz VEBGTGMRUPAJFV-UHFFFAOYSA-N 0 0 459.718 4.720 20 0 JJADRN COc1cc(OC)c(C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC001434902044 1064329855 /nfs/dbraw/zinc/32/98/55/1064329855.db2.gz XYJZPXSPDDVRRO-ABSDTBQOSA-N 0 0 455.551 4.908 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC3(c4cccc(Br)c4)CCOCC3)no2)cc1 ZINC001434901946 1064329875 /nfs/dbraw/zinc/32/98/75/1064329875.db2.gz VWYXRRNPLZIMHS-UHFFFAOYSA-N 0 0 457.324 4.548 20 0 JJADRN O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001434902750 1064330568 /nfs/dbraw/zinc/33/05/68/1064330568.db2.gz VQKRXOZISCSZQE-UHFFFAOYSA-N 0 0 450.236 4.549 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)N2CCOCC2)CCS1 ZINC001359747623 1064330570 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471.490 4.916 20 0 JJADRN C[C@]1(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1(Br)Br ZINC001434906930 1064333824 /nfs/dbraw/zinc/33/38/24/1064333824.db2.gz MUDCNRDSIYLHFF-QGZVFWFLSA-N 0 0 452.146 4.774 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(N(C)C)c2)CCO1 ZINC001359748367 1064334096 /nfs/dbraw/zinc/33/40/96/1064334096.db2.gz ULISLCPUEIBFHJ-GOSISDBHSA-N 0 0 490.471 4.745 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccc(F)cc2)CCS1 ZINC001359748347 1064334186 /nfs/dbraw/zinc/33/41/86/1064334186.db2.gz TUTUBNDTVHBSLN-WMZHIEFXSA-N 0 0 476.021 4.618 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CCC=CO2)CCO1 ZINC001359748456 1064334886 /nfs/dbraw/zinc/33/48/86/1064334886.db2.gz VZVJZFDWAGOHDP-LPHOPBHVSA-N 0 0 481.822 4.915 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOc2ncccc2F)CCO1 ZINC001359748472 1064334897 /nfs/dbraw/zinc/33/48/97/1064334897.db2.gz WGRODBXZLCTTJX-QFIPXVFZSA-N 0 0 467.589 4.717 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC001434908726 1064335435 /nfs/dbraw/zinc/33/54/35/1064335435.db2.gz DEZSQSNCBOIBQZ-CBFKJKJLSA-N 0 0 454.998 4.837 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC001359748591 1064335498 /nfs/dbraw/zinc/33/54/98/1064335498.db2.gz ZTAGHRGRIMVKDQ-HSZRJFAPSA-N 0 0 497.684 4.971 20 0 JJADRN CCCCOCCOCc1cccc(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)c1 ZINC001434909904 1064336061 /nfs/dbraw/zinc/33/60/61/1064336061.db2.gz CBZAHPOWBAOSJM-UHFFFAOYSA-N 0 0 450.461 4.573 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)NCCc3cc(Br)ccc3F)cc2)c1 ZINC001434909854 1064336230 /nfs/dbraw/zinc/33/62/30/1064336230.db2.gz OZGCDEWPLRUMLI-UHFFFAOYSA-N 0 0 456.311 4.800 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)CCCOc1ccccc1Br)c1ccc(F)cc1 ZINC001434910869 1064336914 /nfs/dbraw/zinc/33/69/14/1064336914.db2.gz PERKBPAOTBFZPC-GOSISDBHSA-N 0 0 452.320 4.558 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCS1 ZINC001359749394 1064336862 /nfs/dbraw/zinc/33/68/62/1064336862.db2.gz QEASNYAERYEBLN-RTBURBONSA-N 0 0 482.551 4.878 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CCS1 ZINC001359749363 1064337315 /nfs/dbraw/zinc/33/73/15/1064337315.db2.gz PHKJFDUWAFPLTQ-NRSPTQNISA-N 0 0 486.686 4.563 20 0 JJADRN C/C(=C\c1ccc(C)cc1)C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001434911466 1064337651 /nfs/dbraw/zinc/33/76/51/1064337651.db2.gz GJWMUIYRWFNCFO-BSYVCWPDSA-N 0 0 454.570 4.962 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCS1 ZINC001359749625 1064337838 /nfs/dbraw/zinc/33/78/38/1064337838.db2.gz VMPSZYPCQUXZEK-CTNGQTDRSA-N 0 0 488.702 4.509 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2cc(-c3cccnc3)nn2C)cc1OC ZINC001434911914 1064338333 /nfs/dbraw/zinc/33/83/33/1064338333.db2.gz IDSKHSNUWAINAQ-QFIPXVFZSA-N 0 0 456.546 4.522 20 0 JJADRN CC1(C)CC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 ZINC001434911548 1064338380 /nfs/dbraw/zinc/33/83/80/1064338380.db2.gz PGHVNFKTXBMUBJ-DEOSSOPVSA-N 0 0 454.636 4.723 20 0 JJADRN COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)c1 ZINC001434911589 1064338467 /nfs/dbraw/zinc/33/84/67/1064338467.db2.gz KBSLWUPHYFOMIY-OAQYLSRUSA-N 0 0 456.539 4.540 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccsc2Br)CCS1 ZINC001359749959 1064338630 /nfs/dbraw/zinc/33/86/30/1064338630.db2.gz CHBGBKBJUGQWEQ-HZPDHXFCSA-N 0 0 471.490 4.970 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCS1 ZINC001359750464 1064339617 /nfs/dbraw/zinc/33/96/17/1064339617.db2.gz MYDXSAXUVIRGNV-SFHVURJKSA-N 0 0 451.681 4.817 20 0 JJADRN O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001434913424 1064339920 /nfs/dbraw/zinc/33/99/20/1064339920.db2.gz ZBZFPYXAXJRZNJ-QWHCGFSZSA-N 0 0 457.151 4.947 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(F)(F)F)CCS1 ZINC001359751980 1064340779 /nfs/dbraw/zinc/34/07/79/1064340779.db2.gz MIXYJFFTCOBULO-SFHVURJKSA-N 0 0 497.635 4.618 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CCS1 ZINC001359752688 1064341005 /nfs/dbraw/zinc/34/10/05/1064341005.db2.gz WPJQVRCMXUEFNZ-HBMCJLEFSA-N 0 0 493.718 4.540 20 0 JJADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CCS1 ZINC001359752813 1064341681 /nfs/dbraw/zinc/34/16/81/1064341681.db2.gz YCTHCGCUNWJGKQ-VQTJNVASSA-N 0 0 466.598 4.942 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CCS1 ZINC001359752812 1064341741 /nfs/dbraw/zinc/34/17/41/1064341741.db2.gz YCTHCGCUNWJGKQ-UXHICEINSA-N 0 0 466.598 4.942 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cnn1-c1ccccc1 ZINC001434914880 1064341848 /nfs/dbraw/zinc/34/18/48/1064341848.db2.gz FXMQWRLCSPXCBS-UHFFFAOYSA-N 0 0 459.594 4.810 20 0 JJADRN CC(C)(C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)c1ccc(Cl)cc1F ZINC001434915528 1064342694 /nfs/dbraw/zinc/34/26/94/1064342694.db2.gz UCEDGVHDYFIGHP-UHFFFAOYSA-N 0 0 451.727 4.798 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)CC1=O ZINC001434915706 1064342807 /nfs/dbraw/zinc/34/28/07/1064342807.db2.gz MSFBXEKGPLRWLV-AZUAARDMSA-N 0 0 457.530 4.806 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359753359 1064343044 /nfs/dbraw/zinc/34/30/44/1064343044.db2.gz IDCHHCBHLBHJEO-PKTZIBPZSA-N 0 0 485.101 4.798 20 0 JJADRN CC(C)[C@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CCS1 ZINC001359753415 1064343079 /nfs/dbraw/zinc/34/30/79/1064343079.db2.gz JKIBGSZLTWREMR-JOCHJYFZSA-N 0 0 487.645 4.937 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CCS1 ZINC001359753416 1064343132 /nfs/dbraw/zinc/34/31/32/1064343132.db2.gz JKIBGSZLTWREMR-QFIPXVFZSA-N 0 0 487.645 4.937 20 0 JJADRN CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001434916390 1064343358 /nfs/dbraw/zinc/34/33/58/1064343358.db2.gz UZIMKLSELAOLLV-QYBDOPJKSA-N 0 0 457.615 4.843 20 0 JJADRN 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WKTDZADXVPJYTJ-CEWLAPEOSA-N 0 0 464.557 4.613 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)(C)C ZINC001359760504 1064368629 /nfs/dbraw/zinc/36/86/29/1064368629.db2.gz VDAFKXWLUXSRFK-VQIMIIECSA-N 0 0 466.468 4.980 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1 ZINC001359760398 1064368657 /nfs/dbraw/zinc/36/86/57/1064368657.db2.gz SXYMTMWEFXTKFP-PXNSSMCTSA-N 0 0 464.452 4.734 20 0 JJADRN CCCC[C@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434948231 1064368855 /nfs/dbraw/zinc/36/88/55/1064368855.db2.gz ANJPYTUQIYNRFT-QFIPXVFZSA-N 0 0 452.599 4.786 20 0 JJADRN CCCC[C@@H](NC(=O)c1ncc2cc(Cl)ccn21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950040 1064370379 /nfs/dbraw/zinc/37/03/79/1064370379.db2.gz POYSPGKUEYIPLN-OAQYLSRUSA-N 0 0 453.974 4.515 20 0 JJADRN CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC001434950572 1064371197 /nfs/dbraw/zinc/37/11/97/1064371197.db2.gz XFRVVPDGHNBRLQ-RJVUUZSNSA-N 0 0 458.961 4.801 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC001434950295 1064371232 /nfs/dbraw/zinc/37/12/32/1064371232.db2.gz QPJNZCMTHVVDQZ-CQSZACIVSA-N 0 0 451.336 4.778 20 0 JJADRN CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950703 1064372160 /nfs/dbraw/zinc/37/21/60/1064372160.db2.gz VPSANCOGDMLVAV-MZKRTTBSSA-N 0 0 455.549 4.982 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(F)F)c1 ZINC001359761596 1064372271 /nfs/dbraw/zinc/37/22/71/1064372271.db2.gz JAEKMVVZZHTGOW-UGKGYDQZSA-N 0 0 473.568 4.973 20 0 JJADRN C[C@H](COc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001434951482 1064372677 /nfs/dbraw/zinc/37/26/77/1064372677.db2.gz DEHOLQGNJCUXQG-DNVCBOLYSA-N 0 0 452.473 4.855 20 0 JJADRN O=C(Nc1ccnc(Sc2ccccn2)c1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001434951207 1064372763 /nfs/dbraw/zinc/37/27/63/1064372763.db2.gz WJWFKJJFNDCRDW-UHFFFAOYSA-N 0 0 457.346 4.827 20 0 JJADRN CCOc1cc2c(cc1OCC)CN(C(=O)CCc1nnc(-c3ccc(Cl)cc3)o1)CC2 ZINC001434951867 1064372823 /nfs/dbraw/zinc/37/28/23/1064372823.db2.gz DREADDYJSFMRMK-UHFFFAOYSA-N 0 0 455.942 4.705 20 0 JJADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001359762064 1064374225 /nfs/dbraw/zinc/37/42/25/1064374225.db2.gz PJLJOTURRXWNAX-LILXYRQWSA-N 0 0 489.705 4.936 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)c2)C1 ZINC001434956074 1064374269 /nfs/dbraw/zinc/37/42/69/1064374269.db2.gz LVESZWCXPJTJHC-KDURUIRLSA-N 0 0 458.599 4.692 20 0 JJADRN CC(C)(C)n1ncc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1I ZINC001434957887 1064374979 /nfs/dbraw/zinc/37/49/79/1064374979.db2.gz YMANCLAOPHKDJP-UHFFFAOYSA-N 0 0 455.315 4.581 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(I)c1)O[C@H](C)C2 ZINC001434958600 1064375070 /nfs/dbraw/zinc/37/50/70/1064375070.db2.gz LFAFPNMCYRXVDP-SNVBAGLBSA-N 0 0 457.695 4.919 20 0 JJADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001359762295 1064375135 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ZINC001434992236 1064407057 /nfs/dbraw/zinc/40/70/57/1064407057.db2.gz JVJOYXPKBFSONC-CYBMUJFWSA-N 0 0 453.768 4.515 20 0 JJADRN CC(C)[C@H](C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001434991910 1064407191 /nfs/dbraw/zinc/40/71/91/1064407191.db2.gz XAGKUSPKZFLRLI-WFASDCNBSA-N 0 0 456.465 4.879 20 0 JJADRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)c2ccc(I)cc2)c(Cl)c1 ZINC001434993257 1064408307 /nfs/dbraw/zinc/40/83/07/1064408307.db2.gz YYUVYVBGEJSHPN-LBPRGKRZSA-N 0 0 457.695 4.538 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N(CC)Cc2cc(Br)ccc2F)cc1 ZINC001434994235 1064409016 /nfs/dbraw/zinc/40/90/16/1064409016.db2.gz WQPOFBJUPJONAA-UHFFFAOYSA-N 0 0 456.377 4.824 20 0 JJADRN CCCc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C(C)C)cc1 ZINC001434996754 1064411614 /nfs/dbraw/zinc/41/16/14/1064411614.db2.gz HMOAEOMPIZTUQT-DVECYGJZSA-N 0 0 459.656 4.525 20 0 JJADRN CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC001359773384 1064411556 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IAQIWWYMZAOCLG-OAQYLSRUSA-N 0 0 475.678 4.740 20 0 JJADRN CC(C)CC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001359774635 1064415196 /nfs/dbraw/zinc/41/51/96/1064415196.db2.gz YRNYITQLSQKUQC-GOSISDBHSA-N 0 0 467.555 4.907 20 0 JJADRN CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(Br)c2C)c2ccccc2O1 ZINC001435000571 1064415331 /nfs/dbraw/zinc/41/53/31/1064415331.db2.gz VWPNDUVVTQLJIC-FQEVSTJZSA-N 0 0 459.384 4.779 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1Br ZINC001435001236 1064415350 /nfs/dbraw/zinc/41/53/50/1064415350.db2.gz MBWYOWZNXRABPU-GOSISDBHSA-N 0 0 455.805 4.982 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 ZINC001435001239 1064415399 /nfs/dbraw/zinc/41/53/99/1064415399.db2.gz MDYYKNLSGWNYAO-UHFFFAOYSA-N 0 0 453.029 4.719 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1cc(C(C)(C)C)no1 ZINC001359774784 1064416462 /nfs/dbraw/zinc/41/64/62/1064416462.db2.gz BHFLZDBXAKXVDG-UJQZNKFNSA-N 0 0 457.644 4.745 20 0 JJADRN COC(=O)c1ccc(NC(=O)c2ccc(F)c(Br)c2)c(OCC(F)(F)F)c1 ZINC001435001385 1064416545 /nfs/dbraw/zinc/41/65/45/1064416545.db2.gz MBYOGNJSPGNZRN-UHFFFAOYSA-N 0 0 450.182 4.568 20 0 JJADRN C[C@@H]1Cc2cc(C(=O)NCC3(c4ccc(C(C)(C)C)cc4)CCC3)ccc2N1S(C)(=O)=O ZINC001435002116 1064417159 /nfs/dbraw/zinc/41/71/59/1064417159.db2.gz GSEGZTIQNMGISG-GOSISDBHSA-N 0 0 454.636 4.546 20 0 JJADRN CCC[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001435002364 1064417229 /nfs/dbraw/zinc/41/72/29/1064417229.db2.gz PNONCEGJQGDEBP-MGPUTAFESA-N 0 0 457.514 4.781 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001359775146 1064417239 /nfs/dbraw/zinc/41/72/39/1064417239.db2.gz JPSLJCLWJKBENC-MRXNPFEDSA-N 0 0 463.573 4.819 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001359775413 1064418059 /nfs/dbraw/zinc/41/80/59/1064418059.db2.gz PDXHOTCSJKEMSQ-OAHLLOKOSA-N 0 0 473.959 4.891 20 0 JJADRN NC(=O)C1CCN(c2ccccc2NC(=O)c2cccc3cccc(Br)c32)CC1 ZINC001435002624 1064418157 /nfs/dbraw/zinc/41/81/57/1064418157.db2.gz OKNJGHQMGZGMOK-UHFFFAOYSA-N 0 0 452.352 4.556 20 0 JJADRN CC(C)Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 ZINC001359776085 1064418614 /nfs/dbraw/zinc/41/86/14/1064418614.db2.gz BTPSSFDQJIRJPB-PJEZACDQSA-N 0 0 475.678 4.803 20 0 JJADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001359775793 1064418715 /nfs/dbraw/zinc/41/87/15/1064418715.db2.gz WSERICRNKLKOOP-IAGOWNOFSA-N 0 0 454.587 4.513 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCc2cc(Br)ccc2F)C1 ZINC001435004844 1064419734 /nfs/dbraw/zinc/41/97/34/1064419734.db2.gz LCGCOURCJKBFRI-MRXNPFEDSA-N 0 0 455.755 4.578 20 0 JJADRN COC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC3CCCC3)[C@H](C)C2)cc1 ZINC001435005204 1064420335 /nfs/dbraw/zinc/42/03/35/1064420335.db2.gz VLOBHVZAPMOPBD-QGZVFWFLSA-N 0 0 456.970 4.799 20 0 JJADRN COc1ccc(C2(C(=O)N[C@@H]3CCN(c4cc(Cl)ccc4OC)C3)CCCC2)cc1OC ZINC001435005135 1064420490 /nfs/dbraw/zinc/42/04/90/1064420490.db2.gz OWFNWKRAGAOYCG-LJQANCHMSA-N 0 0 458.986 4.573 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)ccc1Br ZINC001435006172 1064421055 /nfs/dbraw/zinc/42/10/55/1064421055.db2.gz XSQJVGBXMXENAB-QFIPXVFZSA-N 0 0 453.336 4.633 20 0 JJADRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCc2cccc(F)c2Br)C1 ZINC001435005929 1064421150 /nfs/dbraw/zinc/42/11/50/1064421150.db2.gz WGWCJEGBIPZLMH-OAHLLOKOSA-N 0 0 455.755 4.578 20 0 JJADRN Cc1cc(NC(=O)CNC(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)ccc1Br ZINC001435005756 1064421243 /nfs/dbraw/zinc/42/12/43/1064421243.db2.gz ZPDGSPWXEGPBMC-LJQANCHMSA-N 0 0 453.764 4.569 20 0 JJADRN Cc1sc(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1-c1ccc(F)cc1 ZINC001435006815 1064421959 /nfs/dbraw/zinc/42/19/59/1064421959.db2.gz MFISJZQRAIOWDS-UHFFFAOYSA-N 0 0 452.551 4.534 20 0 JJADRN Cc1cc(Br)c(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC001435007039 1064422730 /nfs/dbraw/zinc/42/27/30/1064422730.db2.gz UFXJTKPIJVEHCZ-CYBMUJFWSA-N 0 0 450.402 4.566 20 0 JJADRN CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001359778111 1064422820 /nfs/dbraw/zinc/42/28/20/1064422820.db2.gz ZKGJDJKUXNUVDI-SFHVURJKSA-N 0 0 467.605 4.748 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccncc1)c1ccc(SC)cc1 ZINC001435008390 1064424577 /nfs/dbraw/zinc/42/45/77/1064424577.db2.gz JVJWJJCLLJLGMD-JOCHJYFZSA-N 0 0 459.571 4.841 20 0 JJADRN CN(C(=O)c1cccc2c(Br)cccc12)C1CCN(C(=O)c2ccccc2)CC1 ZINC001435010230 1064425318 /nfs/dbraw/zinc/42/53/18/1064425318.db2.gz AVGAFMXIWFTSIZ-UHFFFAOYSA-N 0 0 451.364 4.979 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1Cc1noc2c1CCCC2 ZINC001359779646 1064425970 /nfs/dbraw/zinc/42/59/70/1064425970.db2.gz STGAIXQFKUOQGW-UHFFFAOYSA-N 0 0 464.433 4.852 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(F)cc2F)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359779935 1064426926 /nfs/dbraw/zinc/42/69/26/1064426926.db2.gz DJRUPRMUSKZJCL-UHFFFAOYSA-N 0 0 476.881 4.845 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccc(Br)o2)n1Cc1ccccc1C1OCCO1 ZINC001359780122 1064428052 /nfs/dbraw/zinc/42/80/52/1064428052.db2.gz KXNSQNXXDZDNPX-UHFFFAOYSA-N 0 0 475.387 4.562 20 0 JJADRN Cc1cc(Br)cc2c1N(C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1)CCC2 ZINC001435012561 1064428602 /nfs/dbraw/zinc/42/86/02/1064428602.db2.gz GAPSMXNLKXNPBI-KRWDZBQOSA-N 0 0 450.421 4.504 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)O[C@@H](C)C2 ZINC001435012501 1064428673 /nfs/dbraw/zinc/42/86/73/1064428673.db2.gz BJHMTBWQHUCGEJ-LBPRGKRZSA-N 0 0 452.429 4.536 20 0 JJADRN COc1ccc(Cn2cc(C(=O)Nc3cc(Br)ccc3Cl)cn2)cc1OC ZINC001435014011 1064430418 /nfs/dbraw/zinc/43/04/18/1064430418.db2.gz PGRSZIHYCVMLFQ-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC(=O)N1CCCCCC1 ZINC001359781141 1064431560 /nfs/dbraw/zinc/43/15/60/1064431560.db2.gz VZGTVYQKRZNLMC-UHFFFAOYSA-N 0 0 465.564 4.925 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CCOc1ncccc1F ZINC001359781172 1064431574 /nfs/dbraw/zinc/43/15/74/1064431574.db2.gz XLUCFXXPQCSSPY-UHFFFAOYSA-N 0 0 451.468 4.745 20 0 JJADRN Cc1cccc(COc2ccc([C@H](C)NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)cc2)c1 ZINC001435014877 1064432485 /nfs/dbraw/zinc/43/24/85/1064432485.db2.gz MTTRUMJHXUYGGM-NRFANRHFSA-N 0 0 453.542 4.919 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359781946 1064433358 /nfs/dbraw/zinc/43/33/58/1064433358.db2.gz ACCCQYGQLDHFFR-HXUWFJFHSA-N 0 0 471.524 4.635 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nccs2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001359782086 1064434098 /nfs/dbraw/zinc/43/40/98/1064434098.db2.gz GXFFMRPFOOOTAU-UHFFFAOYSA-N 0 0 452.559 4.944 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCC(=O)Nc1ccccc1 ZINC001359782265 1064434231 /nfs/dbraw/zinc/43/42/31/1064434231.db2.gz NKAHKOQSUPKETF-UHFFFAOYSA-N 0 0 466.533 4.617 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Br)ccc3Cl)CCC(=O)N2C)cc1 ZINC001435017245 1064434333 /nfs/dbraw/zinc/43/43/33/1064434333.db2.gz ZROCHQNBRUZQIX-BEFAXECRSA-N 0 0 451.748 4.659 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1ccc(C(=O)NCc3cccc(C)c3)cc1)O[C@@H](C)C2 ZINC001435017504 1064434356 /nfs/dbraw/zinc/43/43/56/1064434356.db2.gz HSIGKKPNYWHGFS-IBGZPJMESA-N 0 0 458.558 4.577 20 0 JJADRN CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCc1csc(-c2ccccc2)n1 ZINC001359782599 1064435143 /nfs/dbraw/zinc/43/51/43/1064435143.db2.gz YWZRFYBHJATDQC-UHFFFAOYSA-N 0 0 470.046 4.866 20 0 JJADRN Cc1noc(C(F)F)c1C(=O)Nc1ccc(Br)c(I)c1 ZINC001435018284 1064434924 /nfs/dbraw/zinc/43/49/24/1064434924.db2.gz VFMWVWCYLVZISG-UHFFFAOYSA-N 0 0 457.012 4.540 20 0 JJADRN COC1CCN(c2ccc(NC(=O)c3ccc(Br)nc3)cc2C(F)(F)F)CC1 ZINC001435019609 1064436035 /nfs/dbraw/zinc/43/60/35/1064436035.db2.gz VYCUBOZJAYKLLI-UHFFFAOYSA-N 0 0 458.278 4.730 20 0 JJADRN CC(C)Cc1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C[C@H]1CSCCS1 ZINC001359784174 1064436903 /nfs/dbraw/zinc/43/69/03/1064436903.db2.gz UHHKHVUKBQRFHB-FUDKSRODSA-N 0 0 460.713 4.929 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(=O)NCCOC)ccc1Cl ZINC001435020043 1064436912 /nfs/dbraw/zinc/43/69/12/1064436912.db2.gz VJXPXYWAVNAFHN-OAHLLOKOSA-N 0 0 456.892 4.942 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)Cn2nc(C(F)F)cc2C2CC2)c2ccccc2)cc1OC ZINC001435020208 1064436953 /nfs/dbraw/zinc/43/69/53/1064436953.db2.gz BTGQWXQKSCGWGG-LJQANCHMSA-N 0 0 455.505 4.816 20 0 JJADRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c(Br)c1)[C@H](C)c1ccccn1 ZINC001435020672 1064437758 /nfs/dbraw/zinc/43/77/58/1064437758.db2.gz WRMWDVOEZNUQAH-OAHLLOKOSA-N 0 0 457.324 4.936 20 0 JJADRN CC(C)Cc1nnc(N(C)CCCOc2ccccc2)n1C[C@]1(C)OCCc2sccc21 ZINC001359784836 1064437882 /nfs/dbraw/zinc/43/78/82/1064437882.db2.gz PKUGUVRTWCCFME-VWLOTQADSA-N 0 0 454.640 4.932 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001359785317 1064438662 /nfs/dbraw/zinc/43/86/62/1064438662.db2.gz IKDJIJDRFGYBJN-UHFFFAOYSA-N 0 0 453.587 4.622 20 0 JJADRN CC(C)Cc1nnc(N(C)CCOc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001359785235 1064438844 /nfs/dbraw/zinc/43/88/44/1064438844.db2.gz FQHBULHSVRLWKM-KRWDZBQOSA-N 0 0 457.619 4.761 20 0 JJADRN CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001359785224 1064438856 /nfs/dbraw/zinc/43/88/56/1064438856.db2.gz FOHPRYHCOXEKLL-MXVIHJGJSA-N 0 0 460.066 4.796 20 0 JJADRN CCCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 ZINC001435022065 1064439674 /nfs/dbraw/zinc/43/96/74/1064439674.db2.gz FWEJDXBWLKXXLB-HYBUGGRVSA-N 0 0 459.949 4.684 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC1 ZINC001435021508 1064439728 /nfs/dbraw/zinc/43/97/28/1064439728.db2.gz YXSCEXOKPCHSIO-UHFFFAOYSA-N 0 0 454.445 4.975 20 0 JJADRN CC(C)Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1C[C@H]1COCCO1 ZINC001359785958 1064439637 /nfs/dbraw/zinc/43/96/37/1064439637.db2.gz GRJGOYVZISBPHT-IBGZPJMESA-N 0 0 499.881 4.971 20 0 JJADRN COC(=O)Nc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c(Cl)c1 ZINC001435023001 1064440227 /nfs/dbraw/zinc/44/02/27/1064440227.db2.gz BFIRWFABHSWHPX-UHFFFAOYSA-N 0 0 452.894 4.805 20 0 JJADRN COc1cc(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)cc(NC(C)=O)c1OC ZINC001435024136 1064441366 /nfs/dbraw/zinc/44/13/66/1064441366.db2.gz WIYVDXSDGSMUMT-UHFFFAOYSA-N 0 0 452.482 4.941 20 0 JJADRN CC(C)(C)n1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c(Br)n1 ZINC001435024599 1064442088 /nfs/dbraw/zinc/44/20/88/1064442088.db2.gz CULIRHOWFZZWHM-UHFFFAOYSA-N 0 0 459.363 4.820 20 0 JJADRN CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CCC(=O)NC1CCCCC1 ZINC001359787275 1064442177 /nfs/dbraw/zinc/44/21/77/1064442177.db2.gz YAGPZRWUIOXGIX-UHFFFAOYSA-N 0 0 459.585 4.763 20 0 JJADRN O=C(Cc1cc(F)ccc1Br)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435025733 1064443092 /nfs/dbraw/zinc/44/30/92/1064443092.db2.gz XDOTXBRROQVQQF-UHFFFAOYSA-N 0 0 456.311 4.804 20 0 JJADRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)[C@H]3CCc4cnn(C)c4C3)cc2)CC1 ZINC001435025406 1064443180 /nfs/dbraw/zinc/44/31/80/1064443180.db2.gz WXYVEGPYZWZBDE-VTLFHKLASA-N 0 0 450.627 4.777 20 0 JJADRN CCOc1ccc(Br)cc1NC(=O)c1c2ccc(Br)cc2nn1C ZINC001435025739 1064443215 /nfs/dbraw/zinc/44/32/15/1064443215.db2.gz JQMFMRDSUGEJLO-UHFFFAOYSA-N 0 0 453.134 4.749 20 0 JJADRN C[C@@H](CN(C)C(=O)c1ccc(I)c(Br)c1)c1ccccc1 ZINC001435026335 1064443770 /nfs/dbraw/zinc/44/37/70/1064443770.db2.gz AVBCNGXAAIHDOQ-LBPRGKRZSA-N 0 0 458.137 4.929 20 0 JJADRN CC1=C(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)[C@@H](C)n2ncnc2N1C ZINC001435026478 1064444568 /nfs/dbraw/zinc/44/45/68/1064444568.db2.gz YBRZZFMXFKKCOO-OAHLLOKOSA-N 0 0 457.456 4.799 20 0 JJADRN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001435026634 1064444715 /nfs/dbraw/zinc/44/47/15/1064444715.db2.gz GICAPTDCTQSMOL-UHFFFAOYSA-N 0 0 452.780 4.553 20 0 JJADRN O=C(N1CCC(n2cc(Br)cn2)CC1)C(F)(F)c1cccc(Cl)c1Cl ZINC001359789169 1064444793 /nfs/dbraw/zinc/44/47/93/1064444793.db2.gz DEMJJFFTNUCBNQ-UHFFFAOYSA-N 0 0 453.114 4.908 20 0 JJADRN O=C(C[C@H]1OCc2ccccc21)Nc1cc(I)ccc1Br ZINC001435028301 1064445328 /nfs/dbraw/zinc/44/53/28/1064445328.db2.gz INWTUZGRCYWXJI-OAHLLOKOSA-N 0 0 458.093 4.654 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001359789281 1064445494 /nfs/dbraw/zinc/44/54/94/1064445494.db2.gz MPRHZVCOHVQYJW-KNQAVFIVSA-N 0 0 485.648 4.988 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1F ZINC001359789301 1064445596 /nfs/dbraw/zinc/44/55/96/1064445596.db2.gz MXXWBVIHCXBKCK-BEFAXECRSA-N 0 0 466.001 4.667 20 0 JJADRN CC(C)Cc1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1CCCN(C)CC(F)(F)F ZINC001359789435 1064445620 /nfs/dbraw/zinc/44/56/20/1064445620.db2.gz OFIPQUJULVPAHJ-MSYCTHLASA-N 0 0 471.612 4.535 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1OC1CCCC1 ZINC001359790324 1064446290 /nfs/dbraw/zinc/44/62/90/1064446290.db2.gz VMTJKCIZRFYOBO-KNQAVFIVSA-N 0 0 498.672 4.591 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCc3c2cccc3Br)cc(Br)c1OC ZINC001435029382 1064446388 /nfs/dbraw/zinc/44/63/88/1064446388.db2.gz OBRZDUODDRLYBC-HNNXBMFYSA-N 0 0 455.146 4.646 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CCC(C)(F)F ZINC001545888267 1064446478 /nfs/dbraw/zinc/44/64/78/1064446478.db2.gz FOCMMYKLFJGMNJ-CYBMUJFWSA-N 0 0 455.500 4.644 20 0 JJADRN O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc(Cl)c(Br)c1 ZINC001359790567 1064447274 /nfs/dbraw/zinc/44/72/74/1064447274.db2.gz QYQGFTUOJMJVDG-UHFFFAOYSA-N 0 0 458.747 4.991 20 0 JJADRN C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(I)ccc2Br)C1 ZINC001435030945 1064448106 /nfs/dbraw/zinc/44/81/06/1064448106.db2.gz YUESITDJHVAHMW-CMPLNLGQSA-N 0 0 452.130 4.588 20 0 JJADRN C[C@@H](C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC001435030717 1064448122 /nfs/dbraw/zinc/44/81/22/1064448122.db2.gz YVZYXZCNTYRNQY-GFCCVEGCSA-N 0 0 452.504 4.557 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1)c1ccccc1 ZINC001359791046 1064448396 /nfs/dbraw/zinc/44/83/96/1064448396.db2.gz XCPOTYUEHJJUIJ-UXHICEINSA-N 0 0 450.604 4.822 20 0 JJADRN CCCOc1nc(C)ccc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 ZINC001435032184 1064449272 /nfs/dbraw/zinc/44/92/72/1064449272.db2.gz MSNHNUFSQXNDKL-UHFFFAOYSA-N 0 0 459.546 4.572 20 0 JJADRN CC(C)Cc1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359793123 1064451128 /nfs/dbraw/zinc/45/11/28/1064451128.db2.gz RXPZQVZSUGJTFA-UHFFFAOYSA-N 0 0 481.588 4.819 20 0 JJADRN CCOc1ccc(N(C(=O)c2nc(Cl)ccc2F)C2CCN(CC(F)(F)F)CC2)cc1 ZINC001435034350 1064451102 /nfs/dbraw/zinc/45/11/02/1064451102.db2.gz PFBBFARTOWJPJD-UHFFFAOYSA-N 0 0 459.871 4.946 20 0 JJADRN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 ZINC001435035037 1064451923 /nfs/dbraw/zinc/45/19/23/1064451923.db2.gz ZKPSTXGIVIOVAZ-MRXNPFEDSA-N 0 0 459.493 4.750 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1cc(Br)nc(Br)c1)O[C@@H](C)C2 ZINC001359793917 1064452061 /nfs/dbraw/zinc/45/20/61/1064452061.db2.gz NQQFDQSXNKVANX-VIFPVBQESA-N 0 0 456.134 4.581 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001435037066 1064452517 /nfs/dbraw/zinc/45/25/17/1064452517.db2.gz DNYHDJUOHFGJMP-UHFFFAOYSA-N 0 0 457.498 4.980 20 0 JJADRN CC(C)Cc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCCn1cc(Br)cn1 ZINC001359795000 1064453678 /nfs/dbraw/zinc/45/36/78/1064453678.db2.gz APIBZOAVOIYRCR-UHFFFAOYSA-N 0 0 485.430 4.525 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435038050 1064453822 /nfs/dbraw/zinc/45/38/22/1064453822.db2.gz CNPCFWUKHWYYRW-JOCHJYFZSA-N 0 0 459.631 4.601 20 0 JJADRN CC(C)Cc1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CCNc1nccc(C(F)(F)F)n1 ZINC001359795462 1064454247 /nfs/dbraw/zinc/45/42/47/1064454247.db2.gz IZUISCZTFJWCHE-IAGOWNOFSA-N 0 0 451.541 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCCO[C@@H](C)c1ccccc1 ZINC001359795963 1064454504 /nfs/dbraw/zinc/45/45/04/1064454504.db2.gz QVCFTONCYWQRKY-SFHVURJKSA-N 0 0 466.548 4.992 20 0 JJADRN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 ZINC001435038365 1064454680 /nfs/dbraw/zinc/45/46/80/1064454680.db2.gz CNDWUDOVSWCZJL-UHFFFAOYSA-N 0 0 455.486 4.945 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001435038729 1064455502 /nfs/dbraw/zinc/45/55/02/1064455502.db2.gz UHUKFCCJLOTCBX-HNNXBMFYSA-N 0 0 456.388 4.930 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435039068 1064455529 /nfs/dbraw/zinc/45/55/29/1064455529.db2.gz GSXPSPKDGLUCAX-IEFSCDDCSA-N 0 0 464.512 4.941 20 0 JJADRN Cc1cc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c(Br)s1 ZINC001435039135 1064455585 /nfs/dbraw/zinc/45/55/85/1064455585.db2.gz HOOSIZKGTUWCDU-UHFFFAOYSA-N 0 0 455.374 4.975 20 0 JJADRN C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001435039072 1064455593 /nfs/dbraw/zinc/45/55/93/1064455593.db2.gz GXLSEGHMJRYXLV-AWEZNQCLSA-N 0 0 459.315 4.688 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001359796604 1064456155 /nfs/dbraw/zinc/45/61/55/1064456155.db2.gz FPSZLWHQQBOETK-UHFFFAOYSA-N 0 0 489.611 4.792 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001359796600 1064456252 /nfs/dbraw/zinc/45/62/52/1064456252.db2.gz FLXCGTHMMCLCGV-QHCPKHFHSA-N 0 0 451.659 4.680 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359796678 1064456309 /nfs/dbraw/zinc/45/63/09/1064456309.db2.gz HQFMAJMGHJNAFE-RDGATRHJSA-N 0 0 467.658 4.783 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001359796544 1064456331 /nfs/dbraw/zinc/45/63/31/1064456331.db2.gz COLJDCYWXXHETM-NRFANRHFSA-N 0 0 469.699 4.886 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)c(C(F)(F)F)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC001435039823 1064456459 /nfs/dbraw/zinc/45/64/59/1064456459.db2.gz MXBPNTOEIHBCRU-VIFPVBQESA-N 0 0 459.237 4.983 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@@H](C)COCc1ccccc1 ZINC001359796899 1064457076 /nfs/dbraw/zinc/45/70/76/1064457076.db2.gz OCAOUGDMJRJPOX-XMMPIXPASA-N 0 0 495.712 4.804 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359796858 1064457086 /nfs/dbraw/zinc/45/70/86/1064457086.db2.gz MLQULDDLEXZOER-UHFFFAOYSA-N 0 0 486.730 4.944 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)c1ccccc1 ZINC001435040306 1064457209 /nfs/dbraw/zinc/45/72/09/1064457209.db2.gz INXUXUDXXJBBBQ-MHZLTWQESA-N 0 0 457.505 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001359796820 1064457239 /nfs/dbraw/zinc/45/72/39/1064457239.db2.gz LPAWVPLUDKQXKW-LEWJYISDSA-N 0 0 469.649 4.894 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1Cc1csc(-c2ccco2)n1 ZINC001359797055 1064458040 /nfs/dbraw/zinc/45/80/40/1064458040.db2.gz TWKXXPCCVTUKCB-SFHVURJKSA-N 0 0 484.670 4.619 20 0 JJADRN COC(=O)Cc1occ(C)c1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001435041197 1064458112 /nfs/dbraw/zinc/45/81/12/1064458112.db2.gz QYUBQHJJLHPYRG-UHFFFAOYSA-N 0 0 452.551 4.805 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1C[C@H](C)c1nccs1 ZINC001359797194 1064458822 /nfs/dbraw/zinc/45/88/22/1064458822.db2.gz XEMPNNWYXHTRDY-INIZCTEOSA-N 0 0 488.061 4.640 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359797090 1064458892 /nfs/dbraw/zinc/45/88/92/1064458892.db2.gz UIQCAHUDIPIFBL-ZDXQCDESSA-N 0 0 473.706 4.547 20 0 JJADRN CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001359797165 1064459056 /nfs/dbraw/zinc/45/90/56/1064459056.db2.gz WJXPAWAVUVERSO-WOJBJXKFSA-N 0 0 453.631 4.535 20 0 JJADRN Cc1c(Br)cnn1CC(=O)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC001435042191 1064459009 /nfs/dbraw/zinc/45/90/09/1064459009.db2.gz YIYATHBFZIAONH-UHFFFAOYSA-N 0 0 452.356 4.575 20 0 JJADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1nnn(-c2ccccc2Br)c1C ZINC001435043495 1064459844 /nfs/dbraw/zinc/45/98/44/1064459844.db2.gz GKANTNMBNQEWTO-GOSISDBHSA-N 0 0 455.356 4.714 20 0 JJADRN CSc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)ccc1Br ZINC001435043154 1064459869 /nfs/dbraw/zinc/45/98/69/1064459869.db2.gz ACBREAHPELAOBA-UHFFFAOYSA-N 0 0 452.761 4.847 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001435044810 1064460872 /nfs/dbraw/zinc/46/08/72/1064460872.db2.gz IUMONQVJHLJBDF-NRFANRHFSA-N 0 0 457.452 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001359798358 1064461346 /nfs/dbraw/zinc/46/13/46/1064461346.db2.gz IKLMVYZDRWHITB-HKBOAZHASA-N 0 0 477.694 4.811 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCc1nc2ccccc2[nH]1 ZINC001359798640 1064462328 /nfs/dbraw/zinc/46/23/28/1064462328.db2.gz MHSVLPUHPGFDMY-UXHICEINSA-N 0 0 495.672 4.725 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC001435047633 1064463709 /nfs/dbraw/zinc/46/37/09/1064463709.db2.gz YAJKGIUTNMTULN-UHFFFAOYSA-N 0 0 453.421 4.972 20 0 JJADRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001435048012 1064464615 /nfs/dbraw/zinc/46/46/15/1064464615.db2.gz VIOGIHHRGAZAII-ROUUACIJSA-N 0 0 454.924 4.604 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCc1cccc(F)c1 ZINC001359799187 1064464813 /nfs/dbraw/zinc/46/48/13/1064464813.db2.gz YPIDYVJMMZTKBH-AZUAARDMSA-N 0 0 459.610 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001359799168 1064464958 /nfs/dbraw/zinc/46/49/58/1064464958.db2.gz YKYUHHXSNYGZIR-BJLQDIEVSA-N 0 0 451.631 4.744 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1Cc1ccc(F)cc1 ZINC001359799088 1064465069 /nfs/dbraw/zinc/46/50/69/1064465069.db2.gz XDHINSYEWUKDCN-GOSISDBHSA-N 0 0 459.610 4.794 20 0 JJADRN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001359799566 1064465841 /nfs/dbraw/zinc/46/58/41/1064465841.db2.gz LSELYFXZWXHLNI-GDBMZVCRSA-N 0 0 457.354 4.805 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1F ZINC001435049551 1064467365 /nfs/dbraw/zinc/46/73/65/1064467365.db2.gz QIRUVUTTZIJLQC-UHFFFAOYSA-N 0 0 451.426 4.994 20 0 JJADRN O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC001435049692 1064467378 /nfs/dbraw/zinc/46/73/78/1064467378.db2.gz UDMFFPNEOAPGCS-UHFFFAOYSA-N 0 0 458.518 4.558 20 0 JJADRN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(OCC(F)(F)F)cn2)CC1 ZINC001359800905 1064467831 /nfs/dbraw/zinc/46/78/31/1064467831.db2.gz NHFAVZNGDVQBPW-UHFFFAOYSA-N 0 0 450.457 4.973 20 0 JJADRN Cc1nc(CCC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)oc1-c1ccccc1 ZINC001435050584 1064468108 /nfs/dbraw/zinc/46/81/08/1064468108.db2.gz DBLSGSKNBPTJJC-LJQANCHMSA-N 0 0 454.368 4.740 20 0 JJADRN CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1CCCOC1CCOCC1 ZINC001359801412 1064468702 /nfs/dbraw/zinc/46/87/02/1064468702.db2.gz URQGMHGKUXUVFT-VWLOTQADSA-N 0 0 491.076 4.666 20 0 JJADRN O=C(Nc1ccc(Br)c(I)c1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001359801533 1064469739 /nfs/dbraw/zinc/46/97/39/1064469739.db2.gz XFDARXIIEZWRLJ-QNSHHTMESA-N 0 0 456.068 4.674 20 0 JJADRN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCC(n2cc(Br)cn2)CC1 ZINC001435051875 1064470085 /nfs/dbraw/zinc/47/00/85/1064470085.db2.gz JKRXUHIBRSYQDR-UHFFFAOYSA-N 0 0 453.262 4.690 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CCn1cc(Br)cn1 ZINC001359802609 1064470640 /nfs/dbraw/zinc/47/06/40/1064470640.db2.gz RVDZJUDVGYBLMK-XLIONFOSSA-N 0 0 457.420 4.518 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001359802279 1064470656 /nfs/dbraw/zinc/47/06/56/1064470656.db2.gz LFFUWCJOKKYLEV-OFVILXPXSA-N 0 0 454.659 4.948 20 0 JJADRN CC(C)Cc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359802141 1064470695 /nfs/dbraw/zinc/47/06/95/1064470695.db2.gz ILPNLSBFNQEMAE-UHFFFAOYSA-N 0 0 474.531 4.618 20 0 JJADRN COc1cc2ccc(C(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)cc2cc1OC ZINC001435052425 1064471205 /nfs/dbraw/zinc/47/12/05/1064471205.db2.gz OIFNLZQCSXOPOR-LJQANCHMSA-N 0 0 455.352 4.628 20 0 JJADRN CC(C)n1c2ccc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2nc1C(F)(F)F ZINC001359803073 1064472914 /nfs/dbraw/zinc/47/29/14/1064472914.db2.gz BCXPCDZREVFYEO-UHFFFAOYSA-N 0 0 458.484 4.802 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1 ZINC001435054165 1064472965 /nfs/dbraw/zinc/47/29/65/1064472965.db2.gz HCHZOOBIVCZLBU-LJQANCHMSA-N 0 0 453.470 4.931 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001359804836 1064473268 /nfs/dbraw/zinc/47/32/68/1064473268.db2.gz HDXVIFPODOENHI-QFIPXVFZSA-N 0 0 455.647 4.851 20 0 JJADRN COc1ccc(C[C@H](NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c2ccccc2)cc1OC ZINC001359804911 1064473369 /nfs/dbraw/zinc/47/33/69/1064473369.db2.gz AFCWTYFOJCHQQM-DFBJGRDBSA-N 0 0 455.558 4.926 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001435055403 1064473645 /nfs/dbraw/zinc/47/36/45/1064473645.db2.gz BQTDYEHOCINOPU-OAHLLOKOSA-N 0 0 452.432 4.867 20 0 JJADRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccc(Cl)cn1 ZINC001435055859 1064473661 /nfs/dbraw/zinc/47/36/61/1064473661.db2.gz RFNCHLIVVHVCJC-UHFFFAOYSA-N 0 0 458.743 4.955 20 0 JJADRN CON(C)C(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 ZINC001435055163 1064473837 /nfs/dbraw/zinc/47/38/37/1064473837.db2.gz NRBCMEKSEKAKTO-UHFFFAOYSA-N 0 0 457.939 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccc(F)cc3)C2)n1CCC(=O)NC1CCCCC1 ZINC001359804960 1064474452 /nfs/dbraw/zinc/47/44/52/1064474452.db2.gz IKDMYOWOZCCLHM-NRFANRHFSA-N 0 0 455.622 4.524 20 0 JJADRN COC(=O)Nc1cc(C(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)ccc1F ZINC001359805052 1064474466 /nfs/dbraw/zinc/47/44/66/1064474466.db2.gz BZNJTGHKSOISHQ-FQEVSTJZSA-N 0 0 452.482 4.735 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](Cc3ccc(F)cc3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001359805197 1064474521 /nfs/dbraw/zinc/47/45/21/1064474521.db2.gz KKSTZSWRBMKXCR-OAQYLSRUSA-N 0 0 481.582 4.959 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H](c3ccco3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359805798 1064475319 /nfs/dbraw/zinc/47/53/19/1064475319.db2.gz NZYJTMHKXHULHY-LJQANCHMSA-N 0 0 453.553 4.728 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)Cc3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC001435057449 1064475400 /nfs/dbraw/zinc/47/54/00/1064475400.db2.gz OZSPSYGKSYBHNP-QGZVFWFLSA-N 0 0 453.526 4.848 20 0 JJADRN COc1ccc(C[C@H](NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001359807057 1064477140 /nfs/dbraw/zinc/47/71/40/1064477140.db2.gz RUNUQWGMVJBTMD-NQIIRXRSSA-N 0 0 456.583 4.607 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC001359807094 1064477228 /nfs/dbraw/zinc/47/72/28/1064477228.db2.gz SZUWEUKUJUIPJH-IYKJZBSOSA-N 0 0 474.576 4.980 20 0 JJADRN CCn1c(SCC(=O)Nc2cccc(SC(=O)N(C)C)c2)nnc1-c1cccc(C)c1 ZINC001435058366 1064477197 /nfs/dbraw/zinc/47/71/97/1064477197.db2.gz YMOLAPYMRSESCZ-UHFFFAOYSA-N 0 0 455.609 4.778 20 0 JJADRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001435059632 1064478111 /nfs/dbraw/zinc/47/81/11/1064478111.db2.gz WLSRIHBRQTUYFN-QFIPXVFZSA-N 0 0 453.995 4.939 20 0 JJADRN CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccc(OC)cc1 ZINC001359807979 1064478864 /nfs/dbraw/zinc/47/88/64/1064478864.db2.gz QJAQLXWICCCIND-LAUBAEHRSA-N 0 0 456.587 4.692 20 0 JJADRN CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001359808021 1064479163 /nfs/dbraw/zinc/47/91/63/1064479163.db2.gz ROXGGQMMQPNPEF-UHFFFAOYSA-N 0 0 459.373 4.985 20 0 JJADRN CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(OC)cc1 ZINC001359808509 1064480717 /nfs/dbraw/zinc/48/07/17/1064480717.db2.gz YWCQDDZKHKVHLU-FXAWDEMLSA-N 0 0 459.384 4.858 20 0 JJADRN CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(OC)cc1 ZINC001359808512 1064480882 /nfs/dbraw/zinc/48/08/82/1064480882.db2.gz YWCQDDZKHKVHLU-YLJYHZDGSA-N 0 0 459.384 4.858 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001359808728 1064481557 /nfs/dbraw/zinc/48/15/57/1064481557.db2.gz UPAQHQODBPYVKC-OAQYLSRUSA-N 0 0 463.667 4.519 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001435063293 1064481623 /nfs/dbraw/zinc/48/16/23/1064481623.db2.gz AVUOLPCOAGHRFZ-IQMFZBJNSA-N 0 0 451.995 4.727 20 0 JJADRN C[C@H](CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(F)c(Br)c1 ZINC001435063385 1064481710 /nfs/dbraw/zinc/48/17/10/1064481710.db2.gz BERSWCBDLROBQD-LRTDBIEQSA-N 0 0 457.384 4.891 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(Br)c2Cl)cc1C ZINC001435064356 1064483322 /nfs/dbraw/zinc/48/33/22/1064483322.db2.gz NDKKNFZGSQLAFM-INIZCTEOSA-N 0 0 453.789 4.873 20 0 JJADRN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCc1cccc(F)c1F ZINC001359809448 1064483475 /nfs/dbraw/zinc/48/34/75/1064483475.db2.gz QNMZNMUFGNCHLV-UHFFFAOYSA-N 0 0 477.600 4.739 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](COc3ccccc3)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359809560 1064484219 /nfs/dbraw/zinc/48/42/19/1064484219.db2.gz VJFZDGLDPKFOQL-FCHUYYIVSA-N 0 0 483.657 4.781 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)n2)cc1 ZINC001359810443 1064485230 /nfs/dbraw/zinc/48/52/30/1064485230.db2.gz NRHUJWHCEPISSL-UHFFFAOYSA-N 0 0 459.369 4.829 20 0 JJADRN Cc1cc2cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)oc2c(Br)c1 ZINC001435065919 1064485205 /nfs/dbraw/zinc/48/52/05/1064485205.db2.gz HBOOIFNILGTNQR-OAQYLSRUSA-N 0 0 451.361 4.927 20 0 JJADRN CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001435066052 1064486041 /nfs/dbraw/zinc/48/60/41/1064486041.db2.gz FNDNYSWUTIRZOJ-SANMLTNESA-N 0 0 455.558 4.794 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001435066089 1064486070 /nfs/dbraw/zinc/48/60/70/1064486070.db2.gz HXUBGHNXXDHNHF-IVZQSRNASA-N 0 0 457.537 4.975 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCc1nc(C(C)(C)C)cs1 ZINC001359811424 1064486555 /nfs/dbraw/zinc/48/65/55/1064486555.db2.gz NKSMJQHKABULOS-SFHVURJKSA-N 0 0 490.718 4.919 20 0 JJADRN CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359811623 1064487581 /nfs/dbraw/zinc/48/75/81/1064487581.db2.gz TVJBCCRTWQHQAH-UHFFFAOYSA-N 0 0 473.956 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCSc1ccccc1 ZINC001359811621 1064487597 /nfs/dbraw/zinc/48/75/97/1064487597.db2.gz TUVKRDXTVRHETJ-IBGZPJMESA-N 0 0 459.660 4.715 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359811500 1064487805 /nfs/dbraw/zinc/48/78/05/1064487805.db2.gz PTWMFTXJVCOPDN-KRWDZBQOSA-N 0 0 496.027 4.794 20 0 JJADRN Cc1ccc(I)cc1C(=O)Nc1cccc(COCCOC(C)C)c1 ZINC001359812104 1064488331 /nfs/dbraw/zinc/48/83/31/1064488331.db2.gz CNAIFFAMCLGHMQ-UHFFFAOYSA-N 0 0 453.320 4.794 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@H](C)Cc1cccs1 ZINC001359812577 1064489229 /nfs/dbraw/zinc/48/92/29/1064489229.db2.gz OLLDCHLIOKSAKR-IBGZPJMESA-N 0 0 483.657 4.955 20 0 JJADRN C[C@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccc(Cl)s1 ZINC001435067958 1064489387 /nfs/dbraw/zinc/48/93/87/1064489387.db2.gz DCRWVFVHTCMDBL-AWEZNQCLSA-N 0 0 450.992 4.596 20 0 JJADRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001359813022 1064489413 /nfs/dbraw/zinc/48/94/13/1064489413.db2.gz MQAOSFXJIJTVLE-CABCVRRESA-N 0 0 454.368 4.697 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC1CCC(F)(F)CC1 ZINC001359812202 1064489438 /nfs/dbraw/zinc/48/94/38/1064489438.db2.gz JPXHZVVAAZTAKK-UHFFFAOYSA-N 0 0 477.575 4.840 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC001359813500 1064490490 /nfs/dbraw/zinc/49/04/90/1064490490.db2.gz WCPVYPSHGOYTQA-VXKWHMMOSA-N 0 0 451.394 4.587 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(C(C)(C)C)cc3)nc2)CC1 ZINC001435070286 1064491924 /nfs/dbraw/zinc/49/19/24/1064491924.db2.gz ZCENMBDYTAIPQU-UHFFFAOYSA-N 0 0 452.599 4.617 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC001435070515 1064492049 /nfs/dbraw/zinc/49/20/49/1064492049.db2.gz DXNNQIZIXFZZEY-WIYYLYMNSA-N 0 0 453.445 4.701 20 0 JJADRN CO[C@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1Br ZINC001435070767 1064492778 /nfs/dbraw/zinc/49/27/78/1064492778.db2.gz BUNBIWCIDFLEGX-IBGZPJMESA-N 0 0 458.312 4.615 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC001435070776 1064492917 /nfs/dbraw/zinc/49/29/17/1064492917.db2.gz BXABGGJFILYUER-RBUKOAKNSA-N 0 0 456.543 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CSc2ccccc21 ZINC001359814542 1064493010 /nfs/dbraw/zinc/49/30/10/1064493010.db2.gz JLXDPSNHVKJWJD-SFHVURJKSA-N 0 0 471.671 4.860 20 0 JJADRN Cc1oc(S(C)(=O)=O)cc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435071053 1064493023 /nfs/dbraw/zinc/49/30/23/1064493023.db2.gz DRNZBKTWBDCJAL-ZDUSSCGKSA-N 0 0 455.248 4.605 20 0 JJADRN Cc1cc(I)cc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c1 ZINC001435071762 1064493719 /nfs/dbraw/zinc/49/37/19/1064493719.db2.gz UMAGBCBHEWMJEQ-UHFFFAOYSA-N 0 0 456.283 4.849 20 0 JJADRN Cc1oc(-c2cnn(C)c2)nc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435071726 1064493759 /nfs/dbraw/zinc/49/37/59/1064493759.db2.gz JLQBEXLOWVTVLR-CQSZACIVSA-N 0 0 458.234 4.997 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1C[C@](C)(O)c1ccco1 ZINC001359815185 1064494650 /nfs/dbraw/zinc/49/46/50/1064494650.db2.gz XAWFBWUQRMRBFT-DEOSSOPVSA-N 0 0 458.006 4.712 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1sc(-c2c(C)noc2C)nc1C)C1CC1 ZINC001435072672 1064494804 /nfs/dbraw/zinc/49/48/04/1064494804.db2.gz JVCMKCFJPUFEOK-LJQANCHMSA-N 0 0 453.564 4.502 20 0 JJADRN CCn1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C2CC2)n1 ZINC001435073586 1064495764 /nfs/dbraw/zinc/49/57/64/1064495764.db2.gz JLIJFTYIROBOTG-OAQYLSRUSA-N 0 0 452.599 4.822 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)C1 ZINC001435074329 1064496474 /nfs/dbraw/zinc/49/64/74/1064496474.db2.gz GUQTYZOADHBKIU-FQEVSTJZSA-N 0 0 457.615 4.544 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)C1 ZINC001435074331 1064496540 /nfs/dbraw/zinc/49/65/40/1064496540.db2.gz GUQTYZOADHBKIU-HXUWFJFHSA-N 0 0 457.615 4.544 20 0 JJADRN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H]1CCCCS1 ZINC001359815710 1064497142 /nfs/dbraw/zinc/49/71/42/1064497142.db2.gz SMJURXLMCIHBKE-QGZVFWFLSA-N 0 0 450.599 4.529 20 0 JJADRN O=C(Oc1cccc(OCC(F)(F)F)c1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001435075899 1064498371 /nfs/dbraw/zinc/49/83/71/1064498371.db2.gz PMJHHTBIBFMORQ-JOCHJYFZSA-N 0 0 455.432 4.800 20 0 JJADRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cc(S(=O)(=O)CC)ccc2F)cc1 ZINC001435076327 1064498977 /nfs/dbraw/zinc/49/89/77/1064498977.db2.gz ABQTVIGVXGBKQX-XMMPIXPASA-N 0 0 454.567 4.828 20 0 JJADRN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1 ZINC001359816981 1064499045 /nfs/dbraw/zinc/49/90/45/1064499045.db2.gz XAFAHROMHSCNCG-UHFFFAOYSA-N 0 0 459.857 4.829 20 0 JJADRN CC(C)Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001359817291 1064500111 /nfs/dbraw/zinc/50/01/11/1064500111.db2.gz AXMMVAKCPSBOFH-UHFFFAOYSA-N 0 0 473.706 4.689 20 0 JJADRN O=C(Nc1cccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC001435079352 1064501447 /nfs/dbraw/zinc/50/14/47/1064501447.db2.gz SBEMHHGOWNSPGB-HSZRJFAPSA-N 0 0 459.468 4.593 20 0 JJADRN CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359818165 1064501825 /nfs/dbraw/zinc/50/18/25/1064501825.db2.gz UYJBRDZCSXZBMN-KNQAVFIVSA-N 0 0 459.610 4.654 20 0 JJADRN COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001359818575 1064502272 /nfs/dbraw/zinc/50/22/72/1064502272.db2.gz HPVRNZQGTRCCBF-UHFFFAOYSA-N 0 0 458.493 4.668 20 0 JJADRN CC(C)Cc1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1CCCOCC1CCOCC1 ZINC001359818571 1064502282 /nfs/dbraw/zinc/50/22/82/1064502282.db2.gz BJDXDFSQAQLXMW-UHFFFAOYSA-N 0 0 454.606 4.716 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4Cl)[nH]3)cc2)cc1S(C)(=O)=O ZINC001359818415 1064502315 /nfs/dbraw/zinc/50/23/15/1064502315.db2.gz DDFYKNVKOPYPKT-UHFFFAOYSA-N 0 0 455.923 4.548 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC001435080862 1064502517 /nfs/dbraw/zinc/50/25/17/1064502517.db2.gz PKZPDOLYDMMKIW-XMMPIXPASA-N 0 0 454.590 4.641 20 0 JJADRN CCN(C(=O)CCn1c2ccccc2n(C)c1=O)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001435080794 1064502672 /nfs/dbraw/zinc/50/26/72/1064502672.db2.gz OSERLGMDEHFXCV-HHHXNRCGSA-N 0 0 456.590 4.887 20 0 JJADRN CCN(C(=O)Cc1ccccc1S(=O)(=O)CC)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001435081691 1064503188 /nfs/dbraw/zinc/50/31/88/1064503188.db2.gz RGPBWSRILJZJFN-VWLOTQADSA-N 0 0 454.567 4.503 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(-c3nc4c(cccc4Cl)[nH]3)cc2)c1 ZINC001359819391 1064503206 /nfs/dbraw/zinc/50/32/06/1064503206.db2.gz XTWUWDYIHPJZIU-UHFFFAOYSA-N 0 0 453.951 4.858 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCCCNC(=O)OC(C)(C)C ZINC001359819562 1064503436 /nfs/dbraw/zinc/50/34/36/1064503436.db2.gz SDGGXSLVYJTSKJ-IERDGZPVSA-N 0 0 474.477 4.802 20 0 JJADRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001359820070 1064503475 /nfs/dbraw/zinc/50/34/75/1064503475.db2.gz GELIVMRDNLOUQM-HNNXBMFYSA-N 0 0 458.527 4.601 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC001435082704 1064504446 /nfs/dbraw/zinc/50/44/46/1064504446.db2.gz FLDAMXKAOGBUNK-LJQANCHMSA-N 0 0 456.543 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001359821774 1064504652 /nfs/dbraw/zinc/50/46/52/1064504652.db2.gz UUVUQXGTBXDNAQ-MRXNPFEDSA-N 0 0 455.956 4.577 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435083934 1064504987 /nfs/dbraw/zinc/50/49/87/1064504987.db2.gz HJAXTGLSADALDQ-HNNXBMFYSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cnccc1-n1cccn1 ZINC001435083136 1064505087 /nfs/dbraw/zinc/50/50/87/1064505087.db2.gz BECHPBDXUPTSPC-UHFFFAOYSA-N 0 0 455.902 4.934 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cc(Cl)ccc3C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001359822878 1064504936 /nfs/dbraw/zinc/50/49/36/1064504936.db2.gz ICRJQMFTBXWRQR-UHFFFAOYSA-N 0 0 462.038 4.996 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CCCn1cc(Br)cn1 ZINC001359822694 1064505076 /nfs/dbraw/zinc/50/50/76/1064505076.db2.gz FHUVZGUTOYXOEJ-OAHLLOKOSA-N 0 0 493.400 4.928 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H](C)c1cc(C)cc(C)c1)C2 ZINC001435084648 1064505460 /nfs/dbraw/zinc/50/54/60/1064505460.db2.gz UFSAFIZUVXPBLX-LAUBAEHRSA-N 0 0 454.567 4.864 20 0 JJADRN CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001359823332 1064505900 /nfs/dbraw/zinc/50/59/00/1064505900.db2.gz RCOLRIXJDLBCJH-UHFFFAOYSA-N 0 0 465.907 4.877 20 0 JJADRN CCN(C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001435084817 1064506032 /nfs/dbraw/zinc/50/60/32/1064506032.db2.gz SZOIPGHQYCSOQA-ZEQKJWHPSA-N 0 0 459.565 4.779 20 0 JJADRN COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2C)c(OCCC(C)C)c1 ZINC001359823989 1064506110 /nfs/dbraw/zinc/50/61/10/1064506110.db2.gz CNJIYIFPNUQJKE-JOCHJYFZSA-N 0 0 456.608 4.891 20 0 JJADRN CC(C)Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359823675 1064506190 /nfs/dbraw/zinc/50/61/90/1064506190.db2.gz WDUPPSJQGFKUCH-LJQANCHMSA-N 0 0 475.584 4.717 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC001359824122 1064506675 /nfs/dbraw/zinc/50/66/75/1064506675.db2.gz GKHKDMVWGOBNBD-YJBOKZPZSA-N 0 0 457.646 4.934 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001435085912 1064506761 /nfs/dbraw/zinc/50/67/61/1064506761.db2.gz KIVCUJDFVGVIMN-NRFANRHFSA-N 0 0 454.533 4.893 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1C ZINC001359824400 1064506725 /nfs/dbraw/zinc/50/67/25/1064506725.db2.gz MCMRBYLPXHKAMJ-HXUWFJFHSA-N 0 0 455.580 4.649 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC001435086832 1064507127 /nfs/dbraw/zinc/50/71/27/1064507127.db2.gz OQGRJPTVZUUOIW-KRWDZBQOSA-N 0 0 459.787 4.885 20 0 JJADRN O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cc(Br)c2ccccc2c1 ZINC001359824834 1064507245 /nfs/dbraw/zinc/50/72/45/1064507245.db2.gz VWEXBIQRMLCETR-IBGZPJMESA-N 0 0 459.340 4.895 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359825305 1064507539 /nfs/dbraw/zinc/50/75/39/1064507539.db2.gz CBIGGPXLLHRTMQ-GOSISDBHSA-N 0 0 466.552 4.834 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CCc1ccc(Br)s1 ZINC001359825120 1064507642 /nfs/dbraw/zinc/50/76/42/1064507642.db2.gz BUKJCHNAEAAOMQ-NVXWUHKLSA-N 0 0 453.450 4.549 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001359825297 1064507693 /nfs/dbraw/zinc/50/76/93/1064507693.db2.gz CACWJONPPXAQAB-KRWDZBQOSA-N 0 0 452.521 4.962 20 0 JJADRN CC(C)Cc1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001359825358 1064507723 /nfs/dbraw/zinc/50/77/23/1064507723.db2.gz GGGFVUMYKHFXED-HNNXBMFYSA-N 0 0 458.379 4.945 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001435089068 1064507801 /nfs/dbraw/zinc/50/78/01/1064507801.db2.gz RZIHCLWSGSXXHJ-LJQANCHMSA-N 0 0 454.929 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359826729 1064508866 /nfs/dbraw/zinc/50/88/66/1064508866.db2.gz UCZDSJMSNBFGKH-UMXIMWEHSA-N 0 0 496.700 4.696 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)c(OC)c1 ZINC001435092110 1064509544 /nfs/dbraw/zinc/50/95/44/1064509544.db2.gz XBNNZHPVKKEIDO-HOYKHHGWSA-N 0 0 456.970 4.758 20 0 JJADRN COc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2=O)c(OC)c1 ZINC001435092113 1064509585 /nfs/dbraw/zinc/50/95/85/1064509585.db2.gz XBNNZHPVKKEIDO-KOSHJBKYSA-N 0 0 456.970 4.758 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001435094351 1064510097 /nfs/dbraw/zinc/51/00/97/1064510097.db2.gz CJWHPDKIOKHLCM-KRWDZBQOSA-N 0 0 455.045 4.630 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(OC)ccc2OCC)[C@@H]1c1ccccc1OC ZINC001435094709 1064510573 /nfs/dbraw/zinc/51/05/73/1064510573.db2.gz GSGZDRYLAFOCBG-NLFFAJNJSA-N 0 0 454.567 4.821 20 0 JJADRN Cc1cc2c(o1)c(C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C)ccc2Br ZINC001359828960 1064510694 /nfs/dbraw/zinc/51/06/94/1064510694.db2.gz KXPNEWQOXUDMMD-GOSISDBHSA-N 0 0 459.365 4.966 20 0 JJADRN Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC001435095060 1064511105 /nfs/dbraw/zinc/51/11/05/1064511105.db2.gz JPSPYEAYYQBZJB-VGOFRKELSA-N 0 0 455.396 4.722 20 0 JJADRN O=C(NCCc1cccc2ccccc21)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001435096834 1064511617 /nfs/dbraw/zinc/51/16/17/1064511617.db2.gz DYIXUSJRJMDVID-JOCHJYFZSA-N 0 0 451.364 4.566 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)c2ccsc2Br)c2ccc(Cl)cc2)CCO1 ZINC001435095848 1064511698 /nfs/dbraw/zinc/51/16/98/1064511698.db2.gz OYUFWQQCOBMJGO-MRXNPFEDSA-N 0 0 457.821 4.746 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCCOc3ccc(F)c(F)c3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001435096839 1064512082 /nfs/dbraw/zinc/51/20/82/1064512082.db2.gz JYNDUVVMDIIOBG-UHFFFAOYSA-N 0 0 454.477 4.976 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CCc1ccccn1 ZINC001359830304 1064512507 /nfs/dbraw/zinc/51/25/07/1064512507.db2.gz GOYADECTFPTZOE-MRXNPFEDSA-N 0 0 464.561 4.974 20 0 JJADRN O=C(NCCc1cccc2ccccc21)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001435098773 1064513311 /nfs/dbraw/zinc/51/33/11/1064513311.db2.gz SZCBXANOXWPJMA-FQEVSTJZSA-N 0 0 452.501 4.652 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001359830593 1064513515 /nfs/dbraw/zinc/51/35/15/1064513515.db2.gz MPCMIWQFJIQDMT-RTBURBONSA-N 0 0 481.632 4.995 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc2)cc1 ZINC001435099246 1064513850 /nfs/dbraw/zinc/51/38/50/1064513850.db2.gz DZDYDNKWWKJJNE-QGZVFWFLSA-N 0 0 456.530 4.869 20 0 JJADRN CCn1ncc(Br)c1C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC001435100646 1064513862 /nfs/dbraw/zinc/51/38/62/1064513862.db2.gz PFOTYLXWEAYDNX-ZDUSSCGKSA-N 0 0 459.207 4.737 20 0 JJADRN COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001435099355 1064513900 /nfs/dbraw/zinc/51/39/00/1064513900.db2.gz MQEFNSPBMVTXAW-GCKMJXCFSA-N 0 0 454.596 4.590 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccccc1F ZINC001359831018 1064514404 /nfs/dbraw/zinc/51/44/04/1064514404.db2.gz VUCVGVDEFIULDK-LJQANCHMSA-N 0 0 459.610 4.747 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001359831245 1064514680 /nfs/dbraw/zinc/51/46/80/1064514680.db2.gz ZMEFSMPNPHCOGO-QTYPKTMWSA-N 0 0 455.672 4.889 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCc1ccccc1C(F)(F)F ZINC001359832229 1064515582 /nfs/dbraw/zinc/51/55/82/1064515582.db2.gz HEZVXRPQBKFNMR-LJQANCHMSA-N 0 0 479.591 4.727 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)n1 ZINC001435105089 1064515675 /nfs/dbraw/zinc/51/56/75/1064515675.db2.gz PCNTVFLPYYUGEE-UHFFFAOYSA-N 0 0 454.458 4.703 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc2ncccc2c1 ZINC001359832683 1064516045 /nfs/dbraw/zinc/51/60/45/1064516045.db2.gz NKTBRIWQMBFQMR-JOCHJYFZSA-N 0 0 478.641 4.909 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC001435105239 1064516004 /nfs/dbraw/zinc/51/60/04/1064516004.db2.gz RJNPTOWOOZIYMO-DLBZAZTESA-N 0 0 454.324 4.554 20 0 JJADRN COc1ccc(N(CCC(=O)N[C@H]2CC[C@H](C)CC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001435105230 1064516084 /nfs/dbraw/zinc/51/60/84/1064516084.db2.gz RHBVRPWTCAUBCP-XGAFWQRZSA-N 0 0 458.624 4.592 20 0 JJADRN O=C(Cc1ccccc1I)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001359832773 1064516599 /nfs/dbraw/zinc/51/65/99/1064516599.db2.gz BTJFQRPAICPYTG-UHFFFAOYSA-N 0 0 453.663 4.886 20 0 JJADRN CC[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC001359832807 1064516678 /nfs/dbraw/zinc/51/66/78/1064516678.db2.gz COEDBJIOIGVAPE-RTBURBONSA-N 0 0 452.498 4.748 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1cccc(N=S(C)(C)=O)c1 ZINC001435107163 1064516542 /nfs/dbraw/zinc/51/65/42/1064516542.db2.gz AWEBTJWJLHCMMK-UHFFFAOYSA-N 0 0 457.596 4.663 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359832983 1064517782 /nfs/dbraw/zinc/51/77/82/1064517782.db2.gz RQVHTWUXNFODLT-KRWDZBQOSA-N 0 0 496.578 4.680 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H]1CCCCC1(F)F ZINC001359833026 1064517842 /nfs/dbraw/zinc/51/78/42/1064517842.db2.gz SCZBPNYAPQSZLV-RBUKOAKNSA-N 0 0 453.622 4.681 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CCOc1cccc(F)c1 ZINC001359833152 1064517956 /nfs/dbraw/zinc/51/79/56/1064517956.db2.gz UGFWNHVSNRNBTC-SFHVURJKSA-N 0 0 480.510 4.752 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001359832984 1064517968 /nfs/dbraw/zinc/51/79/68/1064517968.db2.gz RQVHTWUXNFODLT-QGZVFWFLSA-N 0 0 496.578 4.680 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001359833058 1064517977 /nfs/dbraw/zinc/51/79/77/1064517977.db2.gz SQVNQOWDOKHJOB-HXUWFJFHSA-N 0 0 499.656 4.773 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001435108749 1064518313 /nfs/dbraw/zinc/51/83/13/1064518313.db2.gz OCRIMXJXMVIRIY-ROUUACIJSA-N 0 0 456.505 4.738 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCc2cc(F)ccc21)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435108311 1064518406 /nfs/dbraw/zinc/51/84/06/1064518406.db2.gz FORMACVKSAZBPQ-YZYNAAERSA-N 0 0 450.598 4.868 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)c1ccccc1 ZINC001435109623 1064518722 /nfs/dbraw/zinc/51/87/22/1064518722.db2.gz PIRATMYSHVSPLJ-NRFANRHFSA-N 0 0 456.336 4.994 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cc1cccc2ncccc12)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435109473 1064518825 /nfs/dbraw/zinc/51/88/25/1064518825.db2.gz LHLLSPFEROOFIS-KMRXNPHXSA-N 0 0 457.618 4.790 20 0 JJADRN COc1cccc(C2(CNC(=O)c3c(F)cccc3I)CCCC2)c1 ZINC001435110092 1064519505 /nfs/dbraw/zinc/51/95/05/1064519505.db2.gz SUFUHELHVHSTPH-UHFFFAOYSA-N 0 0 453.295 4.681 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1(C)C ZINC001359833509 1064519665 /nfs/dbraw/zinc/51/96/65/1064519665.db2.gz YMVUSQFPSCUDSF-RTBURBONSA-N 0 0 465.708 4.844 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001435110650 1064519829 /nfs/dbraw/zinc/51/98/29/1064519829.db2.gz NPLFHTACRVDQQV-IERDGZPVSA-N 0 0 453.336 4.713 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1noc2c1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435110651 1064519896 /nfs/dbraw/zinc/51/98/96/1064519896.db2.gz PXGHKRMKIBWWMX-YADARESESA-N 0 0 451.611 4.569 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCc1cccc(F)c1F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435111496 1064520493 /nfs/dbraw/zinc/52/04/93/1064520493.db2.gz RVLQDIXOSWNCNX-AFMDSPMNSA-N 0 0 456.577 4.910 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1Cc1ccccc1Br ZINC001359834518 1064520649 /nfs/dbraw/zinc/52/06/49/1064520649.db2.gz FLPDAGZFWREPMT-SFHVURJKSA-N 0 0 488.405 4.869 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112228 1064520884 /nfs/dbraw/zinc/52/08/84/1064520884.db2.gz UWBLXPOWMOVWTH-KOSHJBKYSA-N 0 0 457.014 4.974 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COCc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001435112240 1064520991 /nfs/dbraw/zinc/52/09/91/1064520991.db2.gz UXTBPHHBCGQHFN-ZBLYBZFDSA-N 0 0 450.623 4.524 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359834764 1064521243 /nfs/dbraw/zinc/52/12/43/1064521243.db2.gz KVGNRXFEIMQXDS-HNNXBMFYSA-N 0 0 498.550 4.777 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359834765 1064521368 /nfs/dbraw/zinc/52/13/68/1064521368.db2.gz KVGNRXFEIMQXDS-OAHLLOKOSA-N 0 0 498.550 4.777 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 ZINC001435114473 1064522096 /nfs/dbraw/zinc/52/20/96/1064522096.db2.gz JPCFCSSWHPAYJI-UHFFFAOYSA-N 0 0 452.319 4.622 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OC(F)(F)F ZINC001359835342 1064522299 /nfs/dbraw/zinc/52/22/99/1064522299.db2.gz VSXAVFVIPFWVBB-SFHVURJKSA-N 0 0 497.562 4.917 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1SCCc2ccccc21 ZINC001359835584 1064522412 /nfs/dbraw/zinc/52/24/12/1064522412.db2.gz XYMBHQILPVOEIK-RBBKRZOGSA-N 0 0 469.699 4.638 20 0 JJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001435114652 1064522583 /nfs/dbraw/zinc/52/25/83/1064522583.db2.gz LEWYMHUCOFWHGU-RTBURBONSA-N 0 0 451.995 4.553 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001359835866 1064523091 /nfs/dbraw/zinc/52/30/91/1064523091.db2.gz BHSKJNBAHNBRSF-FQEVSTJZSA-N 0 0 466.548 4.861 20 0 JJADRN COc1ccc(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)cc1Br ZINC001435116102 1064523623 /nfs/dbraw/zinc/52/36/23/1064523623.db2.gz KSTGLCWFBBRLBV-UHFFFAOYSA-N 0 0 453.086 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2c2cccs2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359837143 1064523692 /nfs/dbraw/zinc/52/36/92/1064523692.db2.gz ZBQRERWZPHSKDS-OAHLLOKOSA-N 0 0 450.534 4.931 20 0 JJADRN COc1cc(Br)ccc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001359837395 1064524083 /nfs/dbraw/zinc/52/40/83/1064524083.db2.gz DPKQCKOZCZTTQF-LHSJRXKWSA-N 0 0 455.393 4.661 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1OCC ZINC001359837442 1064524314 /nfs/dbraw/zinc/52/43/14/1064524314.db2.gz FNCWPKIYWQGEHL-HSZRJFAPSA-N 0 0 454.995 4.951 20 0 JJADRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)ccc1Br ZINC001359838184 1064524559 /nfs/dbraw/zinc/52/45/59/1064524559.db2.gz VQIKTZLRKSNOFF-SPLOXXLWSA-N 0 0 457.384 4.721 20 0 JJADRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 ZINC001435116822 1064524785 /nfs/dbraw/zinc/52/47/85/1064524785.db2.gz YYOAJRBBLNUKAQ-UHFFFAOYSA-N 0 0 454.401 4.688 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@H]2Cc2ccccc2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359838611 1064525356 /nfs/dbraw/zinc/52/53/56/1064525356.db2.gz FIQNUSWBDPKPKA-IRLDBZIGSA-N 0 0 455.647 4.849 20 0 JJADRN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001435118600 1064525454 /nfs/dbraw/zinc/52/54/54/1064525454.db2.gz HLQFZFHDAXAVIL-QGZVFWFLSA-N 0 0 454.246 4.967 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCCn1cc(Br)cn1 ZINC001359839119 1064525680 /nfs/dbraw/zinc/52/56/80/1064525680.db2.gz LTRZVOOTDASLBJ-JOCHJYFZSA-N 0 0 461.452 4.853 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H]2Cc2ccccc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001359838612 1064525960 /nfs/dbraw/zinc/52/59/60/1064525960.db2.gz FIQNUSWBDPKPKA-RBBKRZOGSA-N 0 0 455.647 4.849 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 ZINC001359840187 1064526191 /nfs/dbraw/zinc/52/61/91/1064526191.db2.gz VVASJZKBNOIXQS-HNNXBMFYSA-N 0 0 456.340 4.609 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(OC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c2)cc1 ZINC001359840255 1064526247 /nfs/dbraw/zinc/52/62/47/1064526247.db2.gz YCOOCTZXWJORCQ-UHFFFAOYSA-N 0 0 456.420 4.896 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1=O ZINC001359839783 1064526386 /nfs/dbraw/zinc/52/63/86/1064526386.db2.gz OREBAYNGHVJKTE-FQEVSTJZSA-N 0 0 458.514 4.523 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001359840497 1064527041 /nfs/dbraw/zinc/52/70/41/1064527041.db2.gz HYMXIROHHASHKD-NRFANRHFSA-N 0 0 485.648 4.702 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)NCC(C)(C)c2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001435121256 1064527288 /nfs/dbraw/zinc/52/72/88/1064527288.db2.gz SHFGYBIEMZIDAE-CTNGQTDRSA-N 0 0 450.476 4.848 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359840963 1064527308 /nfs/dbraw/zinc/52/73/08/1064527308.db2.gz WXZMOEKUOAWSKY-VWLOTQADSA-N 0 0 474.653 4.664 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC001435121254 1064527579 /nfs/dbraw/zinc/52/75/79/1064527579.db2.gz SEJPFBJNOPJIJA-QFIPXVFZSA-N 0 0 453.558 4.837 20 0 JJADRN CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCCOC1CCCCC1 ZINC001359841037 1064527514 /nfs/dbraw/zinc/52/75/14/1064527514.db2.gz ZBXYTVWFZVQMMQ-UHFFFAOYSA-N 0 0 499.675 4.637 20 0 JJADRN O=C(NCCc1ccc(OC(=O)C2(C(F)(F)F)CCOCC2)cc1)c1ccc(Cl)cc1 ZINC001435122248 1064527927 /nfs/dbraw/zinc/52/79/27/1064527927.db2.gz YLQJUJGLSUHVPJ-UHFFFAOYSA-N 0 0 455.860 4.577 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1Cl)c1ccncc1 ZINC001435122389 1064528520 /nfs/dbraw/zinc/52/85/20/1064528520.db2.gz JQJVLMXOZSVXHE-LJQANCHMSA-N 0 0 455.301 4.772 20 0 JJADRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(CC(=O)N1CCCCC1)c1ccccc1 ZINC001435122859 1064528554 /nfs/dbraw/zinc/52/85/54/1064528554.db2.gz IXDYUJTWRGNFQK-UHFFFAOYSA-N 0 0 453.489 4.598 20 0 JJADRN O=C(CN(C(=O)c1cc(Cl)cc(Br)c1F)c1ccccc1)N1CCCCC1 ZINC001435122345 1064528595 /nfs/dbraw/zinc/52/85/95/1064528595.db2.gz AOPLMXKOJDPMFR-UHFFFAOYSA-N 0 0 453.739 4.901 20 0 JJADRN COc1cccc(C(=O)c2ccc(C(=O)N(CC(=O)N3CCCCC3)c3ccccc3)cc2)c1 ZINC001435123189 1064529177 /nfs/dbraw/zinc/52/91/77/1064529177.db2.gz OFPJLKCHZZCRCR-UHFFFAOYSA-N 0 0 456.542 4.586 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)C(=O)c1ccc2c(c1)CCC2 ZINC001435123303 1064529270 /nfs/dbraw/zinc/52/92/70/1064529270.db2.gz SMLIJJFBOHJUOR-UHFFFAOYSA-N 0 0 454.313 4.951 20 0 JJADRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001359842676 1064529552 /nfs/dbraw/zinc/52/95/52/1064529552.db2.gz ILNKZGFYQNRTIG-MRXNPFEDSA-N 0 0 451.401 4.821 20 0 JJADRN O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001435124025 1064530222 /nfs/dbraw/zinc/53/02/22/1064530222.db2.gz AANJZQQFHRDQOL-RTBURBONSA-N 0 0 456.361 4.692 20 0 JJADRN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OC(C)C ZINC001359843397 1064530219 /nfs/dbraw/zinc/53/02/19/1064530219.db2.gz PUNOJWFNAZMCBK-OAQYLSRUSA-N 0 0 471.646 4.806 20 0 JJADRN CC(C)(NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1nccs1 ZINC001435124661 1064530671 /nfs/dbraw/zinc/53/06/71/1064530671.db2.gz KTTQZJKDCTXARN-UHFFFAOYSA-N 0 0 453.568 4.674 20 0 JJADRN CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001435125211 1064530852 /nfs/dbraw/zinc/53/08/52/1064530852.db2.gz PICVFHHPAQMEHP-AWEZNQCLSA-N 0 0 458.502 4.615 20 0 JJADRN COC(=O)c1ccc(NC(=O)C(F)(F)c2cccc(Br)c2)c(OC(F)F)c1 ZINC001359845393 1064531218 /nfs/dbraw/zinc/53/12/18/1064531218.db2.gz XSIPXWRVVUYVLX-UHFFFAOYSA-N 0 0 450.182 4.568 20 0 JJADRN CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1 ZINC001435125375 1064531331 /nfs/dbraw/zinc/53/13/31/1064531331.db2.gz QUBHCRGNPXFRHS-MRXNPFEDSA-N 0 0 452.979 4.957 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc(Cl)nc1Cl ZINC001435125948 1064531917 /nfs/dbraw/zinc/53/19/17/1064531917.db2.gz LKHGQGWIIDEUBH-UHFFFAOYSA-N 0 0 457.285 4.893 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC[C@@H](C)c1ccccc1 ZINC001359846324 1064531882 /nfs/dbraw/zinc/53/18/82/1064531882.db2.gz SZDMOBJLBCJKBV-HXUWFJFHSA-N 0 0 451.640 4.694 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccnc(OC2CCC2)c1 ZINC001435126343 1064532244 /nfs/dbraw/zinc/53/22/44/1064532244.db2.gz NIOPEQFADFHSFK-UHFFFAOYSA-N 0 0 458.486 4.517 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC001435126579 1064532538 /nfs/dbraw/zinc/53/25/38/1064532538.db2.gz QRVQIBFIBZCYMG-UHFFFAOYSA-N 0 0 450.760 4.984 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)c(NC(=O)C(C)(C)C)c3)CCC(=O)N2C)cc1 ZINC001435126883 1064532875 /nfs/dbraw/zinc/53/28/75/1064532875.db2.gz SDBDYHXTWASHJP-NZQKXSOJSA-N 0 0 451.567 4.536 20 0 JJADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435128338 1064534140 /nfs/dbraw/zinc/53/41/40/1064534140.db2.gz OYSUXCYQHFUICQ-DHIUTWEWSA-N 0 0 455.599 4.540 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001435129152 1064534527 /nfs/dbraw/zinc/53/45/27/1064534527.db2.gz ZWAZEGHDEGOEDP-IBGZPJMESA-N 0 0 453.421 4.890 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359849292 1064535552 /nfs/dbraw/zinc/53/55/52/1064535552.db2.gz JIGYHMSSZAVGQZ-UHFFFAOYSA-N 0 0 480.485 4.544 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(CSC2CCOCC2)c1 ZINC001435131346 1064535960 /nfs/dbraw/zinc/53/59/60/1064535960.db2.gz CBBDMPWSYXHNCW-UHFFFAOYSA-N 0 0 457.577 4.582 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCOCCc1ccccc1 ZINC001359849647 1064536027 /nfs/dbraw/zinc/53/60/27/1064536027.db2.gz KZSVZXQEXXAVKM-JOCHJYFZSA-N 0 0 485.673 4.572 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359850265 1064536550 /nfs/dbraw/zinc/53/65/50/1064536550.db2.gz RDFLEZRJCXVSGU-NTKDMRAZSA-N 0 0 461.601 4.533 20 0 JJADRN O=C(CCNC(=O)c1ccccc1OCc1cccc(Br)c1)Nc1ccccc1 ZINC001435131877 1064536656 /nfs/dbraw/zinc/53/66/56/1064536656.db2.gz RAKMYFOHUJHUFY-UHFFFAOYSA-N 0 0 453.336 4.787 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001435132050 1064536805 /nfs/dbraw/zinc/53/68/05/1064536805.db2.gz XSPHWTPHKXVCGN-IBGZPJMESA-N 0 0 451.539 4.598 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1 ZINC001435132051 1064536818 /nfs/dbraw/zinc/53/68/18/1064536818.db2.gz XSPHWTPHKXVCGN-LJQANCHMSA-N 0 0 451.539 4.598 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001359850858 1064537674 /nfs/dbraw/zinc/53/76/74/1064537674.db2.gz YHVIFUXALWFHMY-KRWDZBQOSA-N 0 0 490.027 4.707 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCCCS1 ZINC001359850820 1064537749 /nfs/dbraw/zinc/53/77/49/1064537749.db2.gz XQFZLMCEHSQPEM-QUCCMNQESA-N 0 0 463.642 4.924 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1Cc1cccnc1OCC(F)F ZINC001359850807 1064537844 /nfs/dbraw/zinc/53/78/44/1064537844.db2.gz XJLNRLNEPZDDGU-GOSISDBHSA-N 0 0 490.624 4.509 20 0 JJADRN CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001359850794 1064537872 /nfs/dbraw/zinc/53/78/72/1064537872.db2.gz WYWRYHZEMDGISE-OAHLLOKOSA-N 0 0 463.470 4.617 20 0 JJADRN O=C(CCCc1ccc2ccccc2c1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001359851440 1064538199 /nfs/dbraw/zinc/53/81/99/1064538199.db2.gz JFCYLSYLALXHNF-UHFFFAOYSA-N 0 0 450.604 4.654 20 0 JJADRN O=C(NCc1ccnc(OC2CCOCC2)c1)C1(c2cccc(Br)c2)CCCC1 ZINC001435135098 1064538326 /nfs/dbraw/zinc/53/83/26/1064538326.db2.gz DDZLUYHQGNPXSM-UHFFFAOYSA-N 0 0 459.384 4.530 20 0 JJADRN CN(C)C(=O)C1(CNC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)CCCC1 ZINC001435134776 1064538362 /nfs/dbraw/zinc/53/83/62/1064538362.db2.gz NOUAJQCQUGHZMP-UHFFFAOYSA-N 0 0 450.970 4.571 20 0 JJADRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1C(=O)Cc2ccccc21 ZINC001359852021 1064538778 /nfs/dbraw/zinc/53/87/78/1064538778.db2.gz PXQBWZASAUSSAD-UHFFFAOYSA-N 0 0 458.345 4.920 20 0 JJADRN CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCCSc1ccccc1 ZINC001359851785 1064538854 /nfs/dbraw/zinc/53/88/54/1064538854.db2.gz FIRMLJIAGFAKRM-UHFFFAOYSA-N 0 0 454.619 4.520 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCCCc2cccc(Br)c2)C1 ZINC001435135175 1064538856 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459.123 4.723 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 ZINC001435141898 1064542095 /nfs/dbraw/zinc/54/20/95/1064542095.db2.gz FPAWKCUQULPJQQ-QFIPXVFZSA-N 0 0 456.924 4.984 20 0 JJADRN CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCc1ccccc1C(F)(F)F ZINC001359855162 1064542702 /nfs/dbraw/zinc/54/27/02/1064542702.db2.gz DMWIZEPRDMSDDA-UHFFFAOYSA-N 0 0 494.631 4.742 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC001435142934 1064542960 /nfs/dbraw/zinc/54/29/60/1064542960.db2.gz LCUIAVXBQBVDTE-RUZDIDTESA-N 0 0 452.549 4.985 20 0 JJADRN O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)c1cnc(F)c(Br)c1 ZINC001359857342 1064544014 /nfs/dbraw/zinc/54/40/14/1064544014.db2.gz VWIHSOVOVNPKEA-LJQANCHMSA-N 0 0 454.299 4.584 20 0 JJADRN Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC001435143675 1064544045 /nfs/dbraw/zinc/54/40/45/1064544045.db2.gz CNPSXSXCYOAWHA-INIZCTEOSA-N 0 0 451.514 4.603 20 0 JJADRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC34CCCCC4)c2c1 ZINC001435143624 1064544124 /nfs/dbraw/zinc/54/41/24/1064544124.db2.gz QRKFDKNDRSMXCU-UHFFFAOYSA-N 0 0 457.546 4.784 20 0 JJADRN CN(Cc1ccccc1NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2o1 ZINC001435143495 1064544289 /nfs/dbraw/zinc/54/42/89/1064544289.db2.gz AOZICYJOLBGDAJ-AZUAARDMSA-N 0 0 463.534 4.557 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001435144250 1064544575 /nfs/dbraw/zinc/54/45/75/1064544575.db2.gz ZGNDBAHHMKLRTD-INIZCTEOSA-N 0 0 456.926 4.506 20 0 JJADRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3cc(Br)nn3C)cc2C)c1 ZINC001435144284 1064544659 /nfs/dbraw/zinc/54/46/59/1064544659.db2.gz HZFDJKUGNJAOIA-UHFFFAOYSA-N 0 0 456.384 4.959 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)C2(CCCCC2)C1 ZINC001435144460 1064544695 /nfs/dbraw/zinc/54/46/95/1064544695.db2.gz WJKFXWOSKFJHRU-UHFFFAOYSA-N 0 0 455.382 4.958 20 0 JJADRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001435144269 1064544783 /nfs/dbraw/zinc/54/47/83/1064544783.db2.gz ZZELJHCGHPAJCK-UHFFFAOYSA-N 0 0 453.804 4.924 20 0 JJADRN CCN(C(=O)Cc1ccccc1O[C@H]1CCOC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858028 1064545175 /nfs/dbraw/zinc/54/51/75/1064545175.db2.gz HHBGJJCJTQUHID-HFZDXXHNSA-N 0 0 452.501 4.708 20 0 JJADRN CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001359858124 1064545441 /nfs/dbraw/zinc/54/54/41/1064545441.db2.gz KKMALFHGKPXYEO-DLBZAZTESA-N 0 0 473.971 4.670 20 0 JJADRN CCN(C(=O)Cc1ccccc1O[C@H]1CCOC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001359858029 1064545508 /nfs/dbraw/zinc/54/55/08/1064545508.db2.gz HHBGJJCJTQUHID-LVXARBLLSA-N 0 0 452.501 4.708 20 0 JJADRN C[C@H]1CCn2cc(C(=O)N(c3ccccc3F)C3CCN(C(=O)OC(C)(C)C)CC3)nc2C1 ZINC001435145641 1064545890 /nfs/dbraw/zinc/54/58/90/1064545890.db2.gz ACBHVNBFMYDMGE-KRWDZBQOSA-N 0 0 456.562 4.651 20 0 JJADRN Cc1ccnc(-c2cccc(NC(=O)C3(c4ccc(I)cc4)CC3)c2)n1 ZINC001435146684 1064546942 /nfs/dbraw/zinc/54/69/42/1064546942.db2.gz CLCUDHWODLBCPK-UHFFFAOYSA-N 0 0 455.299 4.727 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCSC(F)(F)F ZINC001359859619 1064547916 /nfs/dbraw/zinc/54/79/16/1064547916.db2.gz BOUAVUROWOXHKU-UHFFFAOYSA-N 0 0 490.665 4.806 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3cc(C)c(Br)c(Cl)c3)sc21 ZINC001435147621 1064548268 /nfs/dbraw/zinc/54/82/68/1064548268.db2.gz HHYWSHPXTXTJMG-UHFFFAOYSA-N 0 0 454.733 4.763 20 0 JJADRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cn(Cc2cccs2)nn1 ZINC001435148240 1064548737 /nfs/dbraw/zinc/54/87/37/1064548737.db2.gz KNZUEWBYEAFHIQ-UHFFFAOYSA-N 0 0 459.453 4.524 20 0 JJADRN O=C(N[C@@H]1CCc2c1cccc2Br)c1cnnn1-c1cccc(Cl)c1Cl ZINC001359860215 1064548875 /nfs/dbraw/zinc/54/88/75/1064548875.db2.gz LVACQMMUFCZALJ-CQSZACIVSA-N 0 0 452.139 4.754 20 0 JJADRN Cc1c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cnn1-c1ccccn1 ZINC001435149476 1064549270 /nfs/dbraw/zinc/54/92/70/1064549270.db2.gz SLWFONDJRSOOCN-UHFFFAOYSA-N 0 0 453.424 4.712 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 ZINC001435148862 1064549425 /nfs/dbraw/zinc/54/94/25/1064549425.db2.gz BMDKXYWNEWGTAO-UHFFFAOYSA-N 0 0 450.627 4.952 20 0 JJADRN CC(=O)NC[C@H](CC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)CC(C)C ZINC001435149010 1064549464 /nfs/dbraw/zinc/54/94/64/1064549464.db2.gz QBGGIGTWFLUKLL-SFHVURJKSA-N 0 0 451.489 4.697 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC001435149006 1064549483 /nfs/dbraw/zinc/54/94/83/1064549483.db2.gz QJWPSJBUVNCZLW-UHFFFAOYSA-N 0 0 456.474 4.562 20 0 JJADRN Cc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1 ZINC001359860327 1064549624 /nfs/dbraw/zinc/54/96/24/1064549624.db2.gz MKJVLKCGRRFLJS-UHFFFAOYSA-N 0 0 454.303 4.579 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359860526 1064549767 /nfs/dbraw/zinc/54/97/67/1064549767.db2.gz IQCQSAUGFTYTKA-VWLOTQADSA-N 0 0 464.633 4.773 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)ccc1Cl ZINC001435149658 1064549742 /nfs/dbraw/zinc/54/97/42/1064549742.db2.gz UMUOCVNSMWFONV-HNNXBMFYSA-N 0 0 457.423 4.727 20 0 JJADRN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC001435150388 1064549966 /nfs/dbraw/zinc/54/99/66/1064549966.db2.gz QGXSPXVZLOXUSA-IBGZPJMESA-N 0 0 450.579 4.879 20 0 JJADRN CC(C)Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCc1ccc(F)cc1Cl ZINC001359861047 1064550082 /nfs/dbraw/zinc/55/00/82/1064550082.db2.gz LJUJFNDIDUXGMB-UHFFFAOYSA-N 0 0 462.038 4.896 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)[C@@H](C)Cc3ccc(OC(F)(F)F)cc3)sc21 ZINC001435151324 1064550922 /nfs/dbraw/zinc/55/09/22/1064550922.db2.gz ZIHSFUIPVFMHPN-JTQLQIEISA-N 0 0 453.442 4.502 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1sc2ccccc2c1Br ZINC001435151340 1064551191 /nfs/dbraw/zinc/55/11/91/1064551191.db2.gz AAGYPPOFJIDSPT-UHFFFAOYSA-N 0 0 459.365 4.697 20 0 JJADRN Cc1c(C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)nnn1-c1ccccc1Br ZINC001435155056 1064552511 /nfs/dbraw/zinc/55/25/11/1064552511.db2.gz UYMMUVGHEUYXRE-GFCCVEGCSA-N 0 0 452.255 4.858 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc2c(cc1Br)OCO2 ZINC001359862094 1064552709 /nfs/dbraw/zinc/55/27/09/1064552709.db2.gz PWZLAAGDVSFNAZ-UHFFFAOYSA-N 0 0 453.264 4.916 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(Cl)ccc1-n1cncn1 ZINC001435156386 1064553551 /nfs/dbraw/zinc/55/35/51/1064553551.db2.gz FIRNCRQLQPNNSH-HKBQPEDESA-N 0 0 450.951 4.622 20 0 JJADRN COc1cc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O ZINC001435156709 1064553654 /nfs/dbraw/zinc/55/36/54/1064553654.db2.gz GVDLXNYLKZCPFA-SFHVURJKSA-N 0 0 451.350 4.624 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC001435156289 1064553668 /nfs/dbraw/zinc/55/36/68/1064553668.db2.gz DKGHRHBCJQVWLN-HXUWFJFHSA-N 0 0 450.645 4.548 20 0 JJADRN C[C@@H]1C[C@H]1[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(Cl)cc1 ZINC001435157122 1064554342 /nfs/dbraw/zinc/55/43/42/1064554342.db2.gz TZHKSBNRSTZDON-QHLBDZCJSA-N 0 0 455.723 4.837 20 0 JJADRN C[C@@H](CCc1cccn1C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001435157977 1064554682 /nfs/dbraw/zinc/55/46/82/1064554682.db2.gz MXIFKPCCHSCSCL-KRWDZBQOSA-N 0 0 455.484 4.771 20 0 JJADRN C[C@@H]1C[C@H]1[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001435158007 1064554699 /nfs/dbraw/zinc/55/46/99/1064554699.db2.gz YJPWHJHMGHMIAS-DVKBMCPXSA-N 0 0 454.998 4.861 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1 ZINC001435158110 1064554892 /nfs/dbraw/zinc/55/48/92/1064554892.db2.gz PXTDCCZDUYJNPI-UHFFFAOYSA-N 0 0 455.605 4.558 20 0 JJADRN C[C@@H]1C[C@H]1[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001435158023 1064554909 /nfs/dbraw/zinc/55/49/09/1064554909.db2.gz YJPWHJHMGHMIAS-MQVPCNEGSA-N 0 0 454.998 4.861 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001359865828 1064555771 /nfs/dbraw/zinc/55/57/71/1064555771.db2.gz JQDMICYNYIZLDS-FIKGOQFSSA-N 0 0 450.986 4.662 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1C[C@H]1CCO[C@H](C)C1 ZINC001359865834 1064556602 /nfs/dbraw/zinc/55/66/02/1064556602.db2.gz JQDMICYNYIZLDS-WWMYMODYSA-N 0 0 450.986 4.662 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001359865939 1064556623 /nfs/dbraw/zinc/55/66/23/1064556623.db2.gz KWWKNTOBXRYPRB-DSKINZAPSA-N 0 0 466.548 4.746 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001435161941 1064557327 /nfs/dbraw/zinc/55/73/27/1064557327.db2.gz PJJAQJSXKQDNDP-JFIYKMOQSA-N 0 0 453.396 4.773 20 0 JJADRN C[C@H]1SCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)[C@H]1C ZINC001435161444 1064557535 /nfs/dbraw/zinc/55/75/35/1064557535.db2.gz JREHFVXXGMDDNB-DTWKUNHWSA-N 0 0 454.852 4.843 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@H]1CSCCS1 ZINC001359866590 1064557981 /nfs/dbraw/zinc/55/79/81/1064557981.db2.gz VESKNSGSBRISMK-OALUTQOASA-N 0 0 453.077 4.557 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359866533 1064558239 /nfs/dbraw/zinc/55/82/39/1064558239.db2.gz TWWAWSWMWRJHKY-SKCUWOTOSA-N 0 0 497.684 4.876 20 0 JJADRN CC[C@H](C)CN(C)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC001435162366 1064558519 /nfs/dbraw/zinc/55/85/19/1064558519.db2.gz RTBGUFYFFLOVHS-IBGZPJMESA-N 0 0 454.592 4.548 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCCOC(F)(F)F ZINC001359867519 1064559615 /nfs/dbraw/zinc/55/96/15/1064559615.db2.gz BTNSSCZFCOJKRJ-QGZVFWFLSA-N 0 0 464.891 4.774 20 0 JJADRN O=C(Cn1ccc2ccc(F)cc21)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC001435163828 1064559645 /nfs/dbraw/zinc/55/96/45/1064559645.db2.gz VZPAGQVUALKCSV-UHFFFAOYSA-N 0 0 458.280 4.768 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccnc(OC2CCC2)c1 ZINC001435163880 1064560149 /nfs/dbraw/zinc/56/01/49/1064560149.db2.gz WKIWLMJGIWUXGW-UHFFFAOYSA-N 0 0 458.305 4.614 20 0 JJADRN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC001359868251 1064560117 /nfs/dbraw/zinc/56/01/17/1064560117.db2.gz KONKEAZHEBTNJO-UHFFFAOYSA-N 0 0 450.495 4.771 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001359868325 1064560207 /nfs/dbraw/zinc/56/02/07/1064560207.db2.gz JOZUBRAVVUIFJD-FQEVSTJZSA-N 0 0 459.541 4.667 20 0 JJADRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001435163862 1064560225 /nfs/dbraw/zinc/56/02/25/1064560225.db2.gz WHKJXDJSKFOCHU-UHFFFAOYSA-N 0 0 452.337 4.985 20 0 JJADRN O=C(Nc1cccc(Oc2cccnn2)c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001435164637 1064560614 /nfs/dbraw/zinc/56/06/14/1064560614.db2.gz ALBZWOZULKXXDE-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1Cc1ccncc1Cl ZINC001359868385 1064560620 /nfs/dbraw/zinc/56/06/20/1064560620.db2.gz KJQPICHZQGZJQL-HXUWFJFHSA-N 0 0 490.833 4.914 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC001435165143 1064561286 /nfs/dbraw/zinc/56/12/86/1064561286.db2.gz HGSDBUQEKXJGSL-UHFFFAOYSA-N 0 0 452.551 4.703 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)nn1-c1c(Cl)cccc1Cl ZINC001435165827 1064561593 /nfs/dbraw/zinc/56/15/93/1064561593.db2.gz GXAXLMRVMRIAMS-GDLZYMKVSA-N 0 0 455.342 4.826 20 0 JJADRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC001435166078 1064561634 /nfs/dbraw/zinc/56/16/34/1064561634.db2.gz GTCFWIBADQWLQC-UHFFFAOYSA-N 0 0 452.501 4.563 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Cl)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001359869312 1064561610 /nfs/dbraw/zinc/56/16/10/1064561610.db2.gz VXCYHNSGQNSQOK-WIYYLYMNSA-N 0 0 492.064 4.869 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[C@@H]1CCCCO1 ZINC001359869285 1064561829 /nfs/dbraw/zinc/56/18/29/1064561829.db2.gz VNXMHELNZHHNKA-RBUKOAKNSA-N 0 0 461.676 4.768 20 0 JJADRN CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[C@@H]1CCCCO1 ZINC001359869187 1064561869 /nfs/dbraw/zinc/56/18/69/1064561869.db2.gz UETPYNHCSDIRLI-RXVVDRJESA-N 0 0 450.986 4.806 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2cc(Cl)ccc2OC)c2ccc(OC)cc2OC)cc1 ZINC001435166243 1064562043 /nfs/dbraw/zinc/56/20/43/1064562043.db2.gz VPZGMXGOVSKSNN-RUZDIDTESA-N 0 0 455.938 4.823 20 0 JJADRN C[S@](=O)c1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1F ZINC001435167154 1064562549 /nfs/dbraw/zinc/56/25/49/1064562549.db2.gz OPPUAHVFOCOGKQ-MHZLTWQESA-N 0 0 452.301 4.750 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC001435167242 1064562562 /nfs/dbraw/zinc/56/25/62/1064562562.db2.gz ACWJKYSWUANLHT-CLOONOSVSA-N 0 0 455.555 4.844 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC001435167247 1064562689 /nfs/dbraw/zinc/56/26/89/1064562689.db2.gz ACWJKYSWUANLHT-KBMIEXCESA-N 0 0 455.555 4.844 20 0 JJADRN CC[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001435167361 1064562729 /nfs/dbraw/zinc/56/27/29/1064562729.db2.gz CGPJZKMXILOBSH-RUZDIDTESA-N 0 0 454.636 4.720 20 0 JJADRN CCN(C(=O)c1cc(S(C)(=O)=O)cc(C)c1C)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001359870101 1064562762 /nfs/dbraw/zinc/56/27/62/1064562762.db2.gz CSFHRMRXSYKPAB-QHCPKHFHSA-N 0 0 458.530 4.632 20 0 JJADRN CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001359870860 1064562948 /nfs/dbraw/zinc/56/29/48/1064562948.db2.gz SZEDMRKCCROZSN-JOCHJYFZSA-N 0 0 475.628 4.987 20 0 JJADRN COc1ccc(Br)cc1C1(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC001435167855 1064563120 /nfs/dbraw/zinc/56/31/20/1064563120.db2.gz FTOMFPXOPCHESU-SANMLTNESA-N 0 0 456.789 4.660 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001359873746 1064564235 /nfs/dbraw/zinc/56/42/35/1064564235.db2.gz QLWZVDMKXOQOEU-IPMKNSEASA-N 0 0 463.692 4.596 20 0 JJADRN CC(C)Cc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCc1cc(Br)ccc1F ZINC001359874038 1064564400 /nfs/dbraw/zinc/56/44/00/1064564400.db2.gz UZPCYTVZBUWDIB-LSDHHAIUSA-N 0 0 455.441 4.951 20 0 JJADRN O=C(NC1(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1)OCc1ccccc1 ZINC001435169130 1064564702 /nfs/dbraw/zinc/56/47/02/1064564702.db2.gz DZCURFRSVORUDA-JGCGQSQUSA-N 0 0 454.592 4.666 20 0 JJADRN Cc1ccc(Br)c(C)c1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001435170383 1064565202 /nfs/dbraw/zinc/56/52/02/1064565202.db2.gz HWPGDHHOVHHFJO-AWEZNQCLSA-N 0 0 457.290 4.973 20 0 JJADRN COc1ccc(CCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c(OC)c1OC ZINC001435170841 1064565704 /nfs/dbraw/zinc/56/57/04/1064565704.db2.gz NPBGQVBBZOMKGR-YTTGMZPUSA-N 0 0 453.560 4.592 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001359875522 1064566086 /nfs/dbraw/zinc/56/60/86/1064566086.db2.gz LBPVTUHHMGUUAF-JWZKTCGFSA-N 0 0 497.684 4.514 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1 ZINC001435171947 1064566196 /nfs/dbraw/zinc/56/61/96/1064566196.db2.gz ZABPPRRRACEEQQ-UHFFFAOYSA-N 0 0 453.417 4.684 20 0 JJADRN CC(C)Cc1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001359876072 1064566479 /nfs/dbraw/zinc/56/64/79/1064566479.db2.gz SPYYMPLZXKYUDN-NHCUHLMSSA-N 0 0 459.610 4.723 20 0 JJADRN CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OC1CCCC1 ZINC001359876486 1064566543 /nfs/dbraw/zinc/56/65/43/1064566543.db2.gz ZWFXVXVSBKTWHY-NRFANRHFSA-N 0 0 483.657 4.950 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC001435172466 1064566771 /nfs/dbraw/zinc/56/67/71/1064566771.db2.gz VDKHWKOHRQYQMO-QAPKDYEQSA-N 0 0 454.592 4.723 20 0 JJADRN CO[C@H](C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccc(F)cc1 ZINC001435172412 1064566818 /nfs/dbraw/zinc/56/68/18/1064566818.db2.gz MVHDSPSQTFNLCD-VWLOTQADSA-N 0 0 452.501 4.580 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@H]2C(C)C)C1 ZINC001359877309 1064567232 /nfs/dbraw/zinc/56/72/32/1064567232.db2.gz AFGBTQFWWQULHY-QKLQHJQFSA-N 0 0 464.452 4.969 20 0 JJADRN CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c(C(=O)OC)c1 ZINC001435173332 1064567443 /nfs/dbraw/zinc/56/74/43/1064567443.db2.gz RDDAQWBEISEQEP-UHFFFAOYSA-N 0 0 456.498 4.705 20 0 JJADRN CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001359877504 1064567628 /nfs/dbraw/zinc/56/76/28/1064567628.db2.gz SQVFEYJEPSEEJR-INIZCTEOSA-N 0 0 456.419 4.944 20 0 JJADRN Cc1ccc(-n2cc(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)c(-c3ccccc3)n2)cc1 ZINC001435174222 1064568251 /nfs/dbraw/zinc/56/82/51/1064568251.db2.gz LMIXPLYJIRHAEA-UHFFFAOYSA-N 0 0 459.571 4.953 20 0 JJADRN CC(C)COc1ncc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001435174732 1064568355 /nfs/dbraw/zinc/56/83/55/1064568355.db2.gz YAZZKBVWKQRLTQ-HNNXBMFYSA-N 0 0 457.880 4.677 20 0 JJADRN CCCN(C(=O)c1cnc(CCC(F)(F)F)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001359878015 1064568391 /nfs/dbraw/zinc/56/83/91/1064568391.db2.gz MTLLPEWWCQBJMH-UHFFFAOYSA-N 0 0 453.530 4.795 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)N2CCOCC2)C1 ZINC001359877954 1064568476 /nfs/dbraw/zinc/56/84/76/1064568476.db2.gz FGZLDPUMIYZFKB-LJQANCHMSA-N 0 0 490.490 4.691 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2COCCO2)C1 ZINC001359877982 1064568918 /nfs/dbraw/zinc/56/89/18/1064568918.db2.gz FNOUONVAPFTKER-DOTOQJQBSA-N 0 0 483.838 4.649 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2)C1 ZINC001359878388 1064569637 /nfs/dbraw/zinc/56/96/37/1064569637.db2.gz IMCZJAVOADGKSE-QGZVFWFLSA-N 0 0 458.404 4.987 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)C1 ZINC001359878758 1064570125 /nfs/dbraw/zinc/57/01/25/1064570125.db2.gz MTVWOLHIMJQYEY-RBUKOAKNSA-N 0 0 459.610 4.592 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001359878736 1064570139 /nfs/dbraw/zinc/57/01/39/1064570139.db2.gz MNISABLYMLWHTB-SLSDLSHTSA-N 0 0 487.664 4.786 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)NC2CC2)C1 ZINC001359878444 1064570272 /nfs/dbraw/zinc/57/02/72/1064570272.db2.gz JJGKOQPBXULOAW-QGZVFWFLSA-N 0 0 474.447 4.639 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2cc(F)c(Br)c(Cl)c2)cc1 ZINC001435177214 1064570628 /nfs/dbraw/zinc/57/06/28/1064570628.db2.gz FODNMUGQMJMUJM-UHFFFAOYSA-N 0 0 458.711 4.504 20 0 JJADRN COC1CCC(CC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC001435177791 1064571018 /nfs/dbraw/zinc/57/10/18/1064571018.db2.gz NLRDYKDWFCXJSI-UHFFFAOYSA-N 0 0 459.384 4.913 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(C)C)C1 ZINC001359879194 1064571322 /nfs/dbraw/zinc/57/13/22/1064571322.db2.gz QRUMTSQQAHJFHX-FQEVSTJZSA-N 0 0 475.703 4.750 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1 ZINC001435179493 1064571568 /nfs/dbraw/zinc/57/15/68/1064571568.db2.gz FGQGACWUXAETGA-YTTGMZPUSA-N 0 0 451.592 4.813 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 ZINC001359879282 1064571839 /nfs/dbraw/zinc/57/18/39/1064571839.db2.gz SIWYVHDNDRGZFQ-DYXWJJEUSA-N 0 0 462.013 4.872 20 0 JJADRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1 ZINC001435181634 1064572561 /nfs/dbraw/zinc/57/25/61/1064572561.db2.gz WYOWIDFQQKKFFM-LJAQVGFWSA-N 0 0 453.347 4.796 20 0 JJADRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001435181015 1064572770 /nfs/dbraw/zinc/57/27/70/1064572770.db2.gz XUXVJMXTKJHXBR-UHFFFAOYSA-N 0 0 451.832 4.679 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2=CCCOC2)C1 ZINC001359879630 1064572791 /nfs/dbraw/zinc/57/27/91/1064572791.db2.gz ZGYMGHWZRIOPCT-HNNXBMFYSA-N 0 0 451.434 4.988 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC001435181916 1064573044 /nfs/dbraw/zinc/57/30/44/1064573044.db2.gz AXOHBIOOXQJWTD-HNNXBMFYSA-N 0 0 455.436 4.709 20 0 JJADRN CCc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)ccc1Br ZINC001435181903 1064573097 /nfs/dbraw/zinc/57/30/97/1064573097.db2.gz AWUQIYCGJNFQFD-UHFFFAOYSA-N 0 0 450.336 4.862 20 0 JJADRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001435182206 1064573290 /nfs/dbraw/zinc/57/32/90/1064573290.db2.gz CMGQBMTUOBCMCI-MRXNPFEDSA-N 0 0 459.589 4.971 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001359879665 1064573231 /nfs/dbraw/zinc/57/32/31/1064573231.db2.gz ZWKCONPRCYWTGQ-HSALFYBXSA-N 0 0 495.089 4.769 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001359879946 1064573283 /nfs/dbraw/zinc/57/32/83/1064573283.db2.gz ISMQVNZUMWMQNA-YCRPNKLZSA-N 0 0 450.362 4.926 20 0 JJADRN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@H](C)Oc2ccccc2)cc1 ZINC001435182730 1064573649 /nfs/dbraw/zinc/57/36/49/1064573649.db2.gz DNUPSDLUWLWIDN-SFHVURJKSA-N 0 0 455.601 4.829 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2cn[nH]c2)C1 ZINC001359880571 1064573742 /nfs/dbraw/zinc/57/37/42/1064573742.db2.gz HQIVFBXHDVELJC-OAHLLOKOSA-N 0 0 461.383 4.685 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C1 ZINC001359881010 1064574609 /nfs/dbraw/zinc/57/46/09/1064574609.db2.gz LMFQPSKNFQXSPC-MRXNPFEDSA-N 0 0 475.410 4.695 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)OCc1ccccc1 ZINC001435184487 1064574472 /nfs/dbraw/zinc/57/44/72/1064574472.db2.gz JKPYNSVXJJWNLJ-QFIPXVFZSA-N 0 0 454.567 4.690 20 0 JJADRN Cc1cc(Br)ccc1CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185296 1064574529 /nfs/dbraw/zinc/57/45/29/1064574529.db2.gz QPMSHDHVINOJQX-INIZCTEOSA-N 0 0 452.352 4.825 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cnn1-c1ccc(Cl)cc1 ZINC001435185701 1064574984 /nfs/dbraw/zinc/57/49/84/1064574984.db2.gz SDEPBQULUXGOLD-MRXNPFEDSA-N 0 0 459.937 4.972 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(=O)N(C)C)C1 ZINC001359881419 1064575011 /nfs/dbraw/zinc/57/50/11/1064575011.db2.gz PBJVIRIGDVYMSB-QGZVFWFLSA-N 0 0 455.603 4.773 20 0 JJADRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-n2cc(Br)cn2)cc1 ZINC001435185796 1064575072 /nfs/dbraw/zinc/57/50/72/1064575072.db2.gz QMHNQNKOXCGVCG-JOCHJYFZSA-N 0 0 454.368 4.849 20 0 JJADRN CC(C)(C)CN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC001359881750 1064575490 /nfs/dbraw/zinc/57/54/90/1064575490.db2.gz YMHTWETWYCCMLI-UHFFFAOYSA-N 0 0 454.942 4.565 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001359881680 1064575550 /nfs/dbraw/zinc/57/55/50/1064575550.db2.gz RJEOUCZLYYNSBO-MBSDFSHPSA-N 0 0 459.516 4.663 20 0 JJADRN CCC(CC)(CNC(=O)c1ccc(-n2nnnc2C)cc1F)c1ccc(Cl)c(Cl)c1 ZINC001359881563 1064575564 /nfs/dbraw/zinc/57/55/64/1064575564.db2.gz SFZFNUJREXKHNR-UHFFFAOYSA-N 0 0 450.345 4.904 20 0 JJADRN C[C@]1(C(=O)NCCCO[C@@H]2CCCc3ccccc32)CCN(C(=O)OCc2ccccc2)C1 ZINC001435185981 1064575619 /nfs/dbraw/zinc/57/56/19/1064575619.db2.gz PHCLILOTGYIRHD-SQHAQQRYSA-N 0 0 450.579 4.636 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359882063 1064576247 /nfs/dbraw/zinc/57/62/47/1064576247.db2.gz WXMKXVODDCAHPJ-NHCUHLMSSA-N 0 0 468.646 4.860 20 0 JJADRN CC(C)(CCCc1ccccc1)CNC(=O)COc1ccc(I)cc1 ZINC001435186763 1064576207 /nfs/dbraw/zinc/57/62/07/1064576207.db2.gz ZKEANOIYNRZBNC-UHFFFAOYSA-N 0 0 451.348 4.835 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435186770 1064576229 /nfs/dbraw/zinc/57/62/29/1064576229.db2.gz ZPOONKWMCLCBAY-LJQANCHMSA-N 0 0 459.587 4.564 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001359883210 1064577183 /nfs/dbraw/zinc/57/71/83/1064577183.db2.gz GVYXPSXYVSLSMA-SFHVURJKSA-N 0 0 459.516 4.925 20 0 JJADRN CCOc1ccc(C2(CNC(=O)c3c(F)ccc(Br)c3F)CCOCC2)cc1 ZINC001359883702 1064578294 /nfs/dbraw/zinc/57/82/94/1064578294.db2.gz NMGIJHMWPQLOJK-UHFFFAOYSA-N 0 0 454.311 4.604 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001359883613 1064578416 /nfs/dbraw/zinc/57/84/16/1064578416.db2.gz JKZPWVAQEKZTOW-QTEAWJPNSA-N 0 0 451.080 4.942 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)s2)cc1 ZINC001435188775 1064578365 /nfs/dbraw/zinc/57/83/65/1064578365.db2.gz NXTKOIBOKDGMOY-RDJZCZTQSA-N 0 0 453.564 4.619 20 0 JJADRN Cc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)nn1-c1cc(C)cc(C)c1 ZINC001435189035 1064578456 /nfs/dbraw/zinc/57/84/56/1064578456.db2.gz HBQUBHSNAGGSCJ-UHFFFAOYSA-N 0 0 455.480 4.950 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCCO)C1 ZINC001359884415 1064578714 /nfs/dbraw/zinc/57/87/14/1064578714.db2.gz NVNOAULZJUEAJQ-NRFANRHFSA-N 0 0 477.694 4.818 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(C3CCC3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC001359883942 1064578763 /nfs/dbraw/zinc/57/87/63/1064578763.db2.gz KVRXXWDHNCALLK-SFHVURJKSA-N 0 0 451.537 4.997 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)C1 ZINC001359884498 1064578843 /nfs/dbraw/zinc/57/88/43/1064578843.db2.gz OQPLLTRPTFOWRK-HOTGVXAUSA-N 0 0 457.566 4.763 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)cc1 ZINC001435189781 1064578985 /nfs/dbraw/zinc/57/89/85/1064578985.db2.gz SMQPRVPFBYBLIJ-VWLOTQADSA-N 0 0 454.636 4.868 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)s2)cc1 ZINC001435189243 1064579025 /nfs/dbraw/zinc/57/90/25/1064579025.db2.gz QMGICJMQDXUUCB-KUHUBIRLSA-N 0 0 457.621 4.820 20 0 JJADRN Cc1ccc([C@H](NC(=O)Cc2ccc(F)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001435189509 1064579058 /nfs/dbraw/zinc/57/90/58/1064579058.db2.gz DFKYBGOUEVBTGX-XMMPIXPASA-N 0 0 459.970 4.948 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cccs2)C1 ZINC001359884742 1064579292 /nfs/dbraw/zinc/57/92/92/1064579292.db2.gz QBGRYBFHTFXLPX-LJQANCHMSA-N 0 0 472.058 4.886 20 0 JJADRN CSc1cc(Br)ccc1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001435190361 1064580231 /nfs/dbraw/zinc/58/02/31/1064580231.db2.gz HEQOYPIKAUVDIA-XJKSGUPXSA-N 0 0 457.434 4.984 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccc(C(F)F)n2)C1 ZINC001359885500 1064580416 /nfs/dbraw/zinc/58/04/16/1064580416.db2.gz BWWHAKVTLNGFEC-MRXNPFEDSA-N 0 0 460.504 4.645 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001435190802 1064580538 /nfs/dbraw/zinc/58/05/38/1064580538.db2.gz IGIFHMDBSZISPS-INMHGKMJSA-N 0 0 459.509 4.533 20 0 JJADRN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001435190821 1064580679 /nfs/dbraw/zinc/58/06/79/1064580679.db2.gz MNDHKYUPQIUPGK-INIZCTEOSA-N 0 0 459.775 4.512 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)C1 ZINC001359885527 1064580743 /nfs/dbraw/zinc/58/07/43/1064580743.db2.gz BZSNILGXKXJEQT-AZUAARDMSA-N 0 0 465.063 4.902 20 0 JJADRN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N(CCc1cccc(F)c1)C1CC1 ZINC001435192037 1064580927 /nfs/dbraw/zinc/58/09/27/1064580927.db2.gz SEVDKWWPTPDHCQ-UHFFFAOYSA-N 0 0 454.929 4.567 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001359885733 1064580963 /nfs/dbraw/zinc/58/09/63/1064580963.db2.gz FJXRUAFLHJIVBS-DHIUTWEWSA-N 0 0 483.701 4.748 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001359885619 1064581003 /nfs/dbraw/zinc/58/10/03/1064581003.db2.gz DBEXUTSJXSHPMY-GAJHUEQPSA-N 0 0 462.063 4.575 20 0 JJADRN COc1ccc(CN(C(=O)c2ccnc(Br)c2)c2ccc3[nH]c(C)nc3c2)cc1 ZINC001359886096 1064581367 /nfs/dbraw/zinc/58/13/67/1064581367.db2.gz CSJMOKIONBQREG-UHFFFAOYSA-N 0 0 451.324 4.884 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)(F)F)C1 ZINC001359885789 1064581405 /nfs/dbraw/zinc/58/14/05/1064581405.db2.gz GYYZBVLOICHADZ-IBGZPJMESA-N 0 0 474.531 4.521 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)c2c1 ZINC001435192326 1064581498 /nfs/dbraw/zinc/58/14/98/1064581498.db2.gz QADQOJHAMHCWLI-DYESRHJHSA-N 0 0 453.583 4.934 20 0 JJADRN COc1cccc([C@H](NC(=O)CN(CCc2ccccc2)C(C)=O)c2ccccc2Cl)c1 ZINC001435192929 1064581588 /nfs/dbraw/zinc/58/15/88/1064581588.db2.gz RWQRFMBQBATHRB-SANMLTNESA-N 0 0 450.966 4.645 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)c2c1 ZINC001435192329 1064581691 /nfs/dbraw/zinc/58/16/91/1064581691.db2.gz QADQOJHAMHCWLI-UWJYYQICSA-N 0 0 453.583 4.934 20 0 JJADRN CC(C)C[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001359886422 1064581878 /nfs/dbraw/zinc/58/18/78/1064581878.db2.gz LUOPOKHBONCMPE-QHCPKHFHSA-N 0 0 451.659 4.584 20 0 JJADRN Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)C2=O)cc1 ZINC001435193266 1064582015 /nfs/dbraw/zinc/58/20/15/1064582015.db2.gz GOMJFZRISYNBLQ-HXUWFJFHSA-N 0 0 455.436 4.736 20 0 JJADRN Cc1ccc(N2CC[C@H](NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)C2=O)cc1 ZINC001435193263 1064582031 /nfs/dbraw/zinc/58/20/31/1064582031.db2.gz GOMJFZRISYNBLQ-FQEVSTJZSA-N 0 0 455.436 4.736 20 0 JJADRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 ZINC001435193608 1064582403 /nfs/dbraw/zinc/58/24/03/1064582403.db2.gz WNEUNRFKNIOMBL-JOCHJYFZSA-N 0 0 457.578 4.761 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)C1 ZINC001359886972 1064582912 /nfs/dbraw/zinc/58/29/12/1064582912.db2.gz RBBNEFASDZOPKJ-JMUQELJHSA-N 0 0 471.621 4.847 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001435195662 1064583570 /nfs/dbraw/zinc/58/35/70/1064583570.db2.gz OVGAJQNQDWSBID-OAHLLOKOSA-N 0 0 453.967 4.816 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001359887458 1064583964 /nfs/dbraw/zinc/58/39/64/1064583964.db2.gz VXLHFIPRGDJETK-RTBURBONSA-N 0 0 483.554 4.753 20 0 JJADRN CN(C(=O)c1nc(Br)ccc1Br)c1cccc(OC(F)(F)F)c1 ZINC001359887539 1064584033 /nfs/dbraw/zinc/58/40/33/1064584033.db2.gz VPHIYGOVDSQTMB-UHFFFAOYSA-N 0 0 454.040 4.782 20 0 JJADRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC001435195911 1064584177 /nfs/dbraw/zinc/58/41/77/1064584177.db2.gz PPLJQGPCYUZOOB-MSOLQXFVSA-N 0 0 453.633 4.844 20 0 JJADRN CC(C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccccc2F)C1 ZINC001359887741 1064584532 /nfs/dbraw/zinc/58/45/32/1064584532.db2.gz YABUEZWRWJNCFG-RBUKOAKNSA-N 0 0 485.629 4.749 20 0 JJADRN Cc1cccnc1[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C(C)C ZINC001435196366 1064584717 /nfs/dbraw/zinc/58/47/17/1064584717.db2.gz SCSCJLZLRFQEFG-XKCSPQBFSA-N 0 0 455.599 4.702 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001359888318 1064584939 /nfs/dbraw/zinc/58/49/39/1064584939.db2.gz AQANSHPWFSVRDA-IWHLBADBSA-N 0 0 481.685 4.677 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001359888481 1064585488 /nfs/dbraw/zinc/58/54/88/1064585488.db2.gz DBWZJIRKTWWLBL-XDHUDOTRSA-N 0 0 475.012 4.652 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)NCC1(c2cccc(Br)c2)CC1 ZINC001435197440 1064585981 /nfs/dbraw/zinc/58/59/81/1064585981.db2.gz FYLOGSRQXZSPKL-UHFFFAOYSA-N 0 0 453.336 4.863 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001359888628 1064586105 /nfs/dbraw/zinc/58/61/05/1064586105.db2.gz HGJYFRCPQVSVQJ-GBXCKJPGSA-N 0 0 466.573 4.768 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359888575 1064586125 /nfs/dbraw/zinc/58/61/25/1064586125.db2.gz FUARAPDESGLTMT-MHZLTWQESA-N 0 0 497.640 4.936 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc2c(c1)CCCCC2=O ZINC001359888730 1064586324 /nfs/dbraw/zinc/58/63/24/1064586324.db2.gz AZKVIJVWBVKJTM-UHFFFAOYSA-N 0 0 456.380 4.836 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001359888651 1064586368 /nfs/dbraw/zinc/58/63/68/1064586368.db2.gz HPOXGUDWJZEOJP-QHCPKHFHSA-N 0 0 491.474 4.902 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001359888841 1064586462 /nfs/dbraw/zinc/58/64/62/1064586462.db2.gz JAMUFEWUHVQQHU-UZUQRXQVSA-N 0 0 479.463 4.899 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC[C@@H]1C ZINC001359888799 1064586525 /nfs/dbraw/zinc/58/65/25/1064586525.db2.gz INLWQCSBGUNBTO-KSFYIVLOSA-N 0 0 454.587 4.675 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001359889112 1064586802 /nfs/dbraw/zinc/58/68/02/1064586802.db2.gz LFDACVJZSKPAAD-MHECFPHRSA-N 0 0 493.574 4.951 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001359889105 1064586817 /nfs/dbraw/zinc/58/68/17/1064586817.db2.gz HJLFNAZUQXTWME-MJGOQNOKSA-N 0 0 450.323 4.695 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCC1(c2cccc(Br)c2)CC1 ZINC001435199613 1064587184 /nfs/dbraw/zinc/58/71/84/1064587184.db2.gz PVTNIYUECNBVFD-UHFFFAOYSA-N 0 0 458.331 4.809 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1=O ZINC001435200382 1064587847 /nfs/dbraw/zinc/58/78/47/1064587847.db2.gz YCVHOILJXFTMMD-RDJZCZTQSA-N 0 0 452.942 4.573 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC2CC2)CC1 ZINC001359889372 1064588029 /nfs/dbraw/zinc/58/80/29/1064588029.db2.gz NFZNJZNDSAHWLJ-QHCPKHFHSA-N 0 0 494.478 4.618 20 0 JJADRN COC(=O)c1cnc(N(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C2CC2)s1 ZINC001435201068 1064588293 /nfs/dbraw/zinc/58/82/93/1064588293.db2.gz GDQVAVUPFRDGQW-UHFFFAOYSA-N 0 0 459.524 4.500 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](C)C1 ZINC001359889990 1064588238 /nfs/dbraw/zinc/58/82/38/1064588238.db2.gz QQKXJSNFFYNAIC-JTSKRJEESA-N 0 0 466.468 4.860 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)OC1CCCC1 ZINC001359889944 1064588326 /nfs/dbraw/zinc/58/83/26/1064588326.db2.gz QDCYAAXSHAFMQV-FQEVSTJZSA-N 0 0 454.413 4.533 20 0 JJADRN COc1ccccc1C/C(C)=C/C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC001435201370 1064588747 /nfs/dbraw/zinc/58/87/47/1064588747.db2.gz LEVVJMHUFGNRIZ-XYOKQWHBSA-N 0 0 459.262 4.921 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 ZINC001359890160 1064589304 /nfs/dbraw/zinc/58/93/04/1064589304.db2.gz IEHWJENYZXGPHB-HSZRJFAPSA-N 0 0 470.415 4.810 20 0 JJADRN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCC[C@]3(CC=CCC3)C2)c2ccccc2)cc1 ZINC001435202727 1064589271 /nfs/dbraw/zinc/58/92/71/1064589271.db2.gz PXNRGNAPYGAWNS-AREMUKBSSA-N 0 0 452.620 4.929 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1 ZINC001359890315 1064589729 /nfs/dbraw/zinc/58/97/29/1064589729.db2.gz SAMYXPOGXFWCOS-QFIPXVFZSA-N 0 0 460.420 4.859 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001359890509 1064590126 /nfs/dbraw/zinc/59/01/26/1064590126.db2.gz KXIQQEBYKDDPQW-HHHXNRCGSA-N 0 0 485.673 4.968 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)c2c(Br)cccc2Br)CC1 ZINC001435203850 1064590061 /nfs/dbraw/zinc/59/00/61/1064590061.db2.gz WWAUOCSEILURNM-UHFFFAOYSA-N 0 0 451.158 4.947 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359890756 1064590203 /nfs/dbraw/zinc/59/02/03/1064590203.db2.gz LWLCOHGRNKAREV-KBMIEXCESA-N 0 0 471.049 4.903 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001359890935 1064590737 /nfs/dbraw/zinc/59/07/37/1064590737.db2.gz WOVNABJCQSLLIB-MUUNZHRXSA-N 0 0 491.684 4.546 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2sccc2C1 ZINC001359890953 1064590766 /nfs/dbraw/zinc/59/07/66/1064590766.db2.gz WZEGOEVWNSYDIR-NRFANRHFSA-N 0 0 478.460 4.847 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC(c3ccccc3C)=NO2)c1C ZINC001435205228 1064590654 /nfs/dbraw/zinc/59/06/54/1064590654.db2.gz DPISINONEBEJSI-FQEVSTJZSA-N 0 0 453.340 4.692 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N(C[C@@H]2CCCO2)c2ccncc2)nnc1-c1ccccc1 ZINC001435206697 1064591847 /nfs/dbraw/zinc/59/18/47/1064591847.db2.gz OMRLENOGEOXMLA-NQIIRXRSSA-N 0 0 451.596 4.615 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC001435207871 1064592446 /nfs/dbraw/zinc/59/24/46/1064592446.db2.gz NLKPHVVWRYXWEA-FQEVSTJZSA-N 0 0 458.400 4.662 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CCCO)CC1 ZINC001359891480 1064592499 /nfs/dbraw/zinc/59/24/99/1064592499.db2.gz RUQKADKCKBHALR-MHZLTWQESA-N 0 0 465.642 4.669 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CCOC(C)(C)C ZINC001359891528 1064592527 /nfs/dbraw/zinc/59/25/27/1064592527.db2.gz SNPUOMQYNAAKPK-SANMLTNESA-N 0 0 453.631 4.932 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CCOC(C)(C)C ZINC001359891527 1064592783 /nfs/dbraw/zinc/59/27/83/1064592783.db2.gz SNPUOMQYNAAKPK-AREMUKBSSA-N 0 0 453.631 4.932 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1 ZINC001359891789 1064593053 /nfs/dbraw/zinc/59/30/53/1064593053.db2.gz XKDXCNPUVVHTKF-HRAATJIYSA-N 0 0 467.477 4.837 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC001435208971 1064593083 /nfs/dbraw/zinc/59/30/83/1064593083.db2.gz XPYLAALYSFPJIG-UHFFFAOYSA-N 0 0 459.310 4.582 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001359892720 1064593515 /nfs/dbraw/zinc/59/35/15/1064593515.db2.gz AFWWLRHNNIUJLS-AXMKBWGCSA-N 0 0 477.694 4.815 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)n1C ZINC001435209362 1064593569 /nfs/dbraw/zinc/59/35/69/1064593569.db2.gz WBNXVMKDCOJTAH-SNVBAGLBSA-N 0 0 456.266 4.573 20 0 JJADRN O=C(NC1CCN(c2cccc(F)c2)CC1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001435211711 1064593710 /nfs/dbraw/zinc/59/37/10/1064593710.db2.gz FOFRTNFVSNVZOU-UHFFFAOYSA-N 0 0 450.411 4.568 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001359892748 1064594098 /nfs/dbraw/zinc/59/40/98/1064594098.db2.gz AMCMVRBQMAZZPY-IBVKSMDESA-N 0 0 461.695 4.500 20 0 JJADRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001359893153 1064594279 /nfs/dbraw/zinc/59/42/79/1064594279.db2.gz VHUINELQOOTXOD-IBGZPJMESA-N 0 0 458.345 4.670 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001359892801 1064594330 /nfs/dbraw/zinc/59/43/30/1064594330.db2.gz AWHZQGGBRUKGDS-MHZLTWQESA-N 0 0 467.658 4.522 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359893830 1064594586 /nfs/dbraw/zinc/59/45/86/1064594586.db2.gz JBYAIUAWOZBHKS-FNZWTVRRSA-N 0 0 477.694 4.816 20 0 JJADRN CCOc1cc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1OC ZINC001435213368 1064594534 /nfs/dbraw/zinc/59/45/34/1064594534.db2.gz KIKFDDKBKNCGKU-MRXNPFEDSA-N 0 0 450.373 4.681 20 0 JJADRN Cc1cc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)ccc1OC1CCOCC1 ZINC001435213143 1064594615 /nfs/dbraw/zinc/59/46/15/1064594615.db2.gz MWRPKPGHJKOEKQ-UHFFFAOYSA-N 0 0 457.577 4.504 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001359893546 1064594752 /nfs/dbraw/zinc/59/47/52/1064594752.db2.gz GZZRHVKGUWSQOB-SANMLTNESA-N 0 0 477.694 4.864 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359893833 1064594800 /nfs/dbraw/zinc/59/48/00/1064594800.db2.gz JBYAIUAWOZBHKS-RXFWQSSRSA-N 0 0 477.694 4.816 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001359894598 1064595764 /nfs/dbraw/zinc/59/57/64/1064595764.db2.gz OVWYUYAPEAAZQZ-CJAUYULYSA-N 0 0 461.601 4.504 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435215758 1064596563 /nfs/dbraw/zinc/59/65/63/1064596563.db2.gz GJICEWDFETUQPR-TVYALGDOSA-N 0 0 450.579 4.837 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001359895079 1064596640 /nfs/dbraw/zinc/59/66/40/1064596640.db2.gz WVMSGADLKFKSRF-MHZLTWQESA-N 0 0 469.674 4.596 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)Cc1ccoc1 ZINC001359895253 1064596675 /nfs/dbraw/zinc/59/66/75/1064596675.db2.gz ZWVLUILZKUJCMH-MHZLTWQESA-N 0 0 492.624 4.653 20 0 JJADRN Cc1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)oc1Br ZINC001435216055 1064596762 /nfs/dbraw/zinc/59/67/62/1064596762.db2.gz HSBPTUNDGUORCP-UHFFFAOYSA-N 0 0 455.352 4.942 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1cc(F)ccc1F ZINC001435215653 1064596799 /nfs/dbraw/zinc/59/67/99/1064596799.db2.gz UPJVORIRWRPFEY-ORAYPTAESA-N 0 0 451.311 4.656 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001359895833 1064597613 /nfs/dbraw/zinc/59/76/13/1064597613.db2.gz IVPVTHQXTGLKJB-XTJBDQBJSA-N 0 0 461.050 4.715 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC001435217871 1064597666 /nfs/dbraw/zinc/59/76/66/1064597666.db2.gz CALKFYVINRGBFK-BAGYTPMASA-N 0 0 452.599 4.635 20 0 JJADRN CO[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccccc1Br ZINC001435217778 1064597688 /nfs/dbraw/zinc/59/76/88/1064597688.db2.gz BPKOLHVIZHPBAV-GOSISDBHSA-N 0 0 451.748 4.569 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(OC)c(OC)cc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435218100 1064598203 /nfs/dbraw/zinc/59/82/03/1064598203.db2.gz VUGAKZKDECQDJC-NHCUHLMSSA-N 0 0 454.567 4.664 20 0 JJADRN Cc1ccc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c(C)c1Br ZINC001435218519 1064598720 /nfs/dbraw/zinc/59/87/20/1064598720.db2.gz ZDLOOFBHAGAMKJ-UHFFFAOYSA-N 0 0 452.352 4.668 20 0 JJADRN Cc1nn(CC2CC2)c(C)c1CC(=O)NCCCCSc1ccccc1Br ZINC001435218647 1064598879 /nfs/dbraw/zinc/59/88/79/1064598879.db2.gz IXLPULHPTIBOML-UHFFFAOYSA-N 0 0 450.446 4.904 20 0 JJADRN CC[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)Cc1cccc(Br)c1 ZINC001435219338 1064599256 /nfs/dbraw/zinc/59/92/56/1064599256.db2.gz BVDRLJPUXKWUDG-ZDUSSCGKSA-N 0 0 458.322 4.538 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)Cc1cccc(Br)c1 ZINC001435219657 1064599317 /nfs/dbraw/zinc/59/93/17/1064599317.db2.gz CQCPQKILORAVTR-NQIIRXRSSA-N 0 0 457.412 4.686 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1)C1CC1 ZINC001435219406 1064599407 /nfs/dbraw/zinc/59/94/07/1064599407.db2.gz FGIIHDZHGJNWLF-UHFFFAOYSA-N 0 0 450.970 4.835 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001359896674 1064599460 /nfs/dbraw/zinc/59/94/60/1064599460.db2.gz RGNMMCWLZXESRL-AREMUKBSSA-N 0 0 481.666 4.612 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001359896949 1064599551 /nfs/dbraw/zinc/59/95/51/1064599551.db2.gz VCKHZTYPIYWPJD-GAKIBJFNSA-N 0 0 462.585 4.761 20 0 JJADRN O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C(F)(F)c1ccccc1Br ZINC001435219786 1064599907 /nfs/dbraw/zinc/59/99/07/1064599907.db2.gz PKEGPSJHUUOFRM-UHFFFAOYSA-N 0 0 457.702 4.973 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001359897135 1064600078 /nfs/dbraw/zinc/60/00/78/1064600078.db2.gz VXSDWFKNQFAULJ-MHZLTWQESA-N 0 0 499.606 4.777 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001435220457 1064600723 /nfs/dbraw/zinc/60/07/23/1064600723.db2.gz GTEYUVUJXAKKNI-ZDUSSCGKSA-N 0 0 459.395 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC001435220903 1064601231 /nfs/dbraw/zinc/60/12/31/1064601231.db2.gz KVESKVVJEXEITN-ZDUSSCGKSA-N 0 0 454.898 4.569 20 0 JJADRN COCCOCc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)ccc1F ZINC001359897781 1064601774 /nfs/dbraw/zinc/60/17/74/1064601774.db2.gz FJTQGVCQOIANPR-UHFFFAOYSA-N 0 0 453.948 4.897 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC001435221864 1064602223 /nfs/dbraw/zinc/60/22/23/1064602223.db2.gz CDOTVPMGOCPZJN-CYBMUJFWSA-N 0 0 457.361 4.960 20 0 JJADRN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001359898742 1064604024 /nfs/dbraw/zinc/60/40/24/1064604024.db2.gz BUHVFVIXJAIYLH-QDPGVEIFSA-N 0 0 493.627 4.690 20 0 JJADRN CC[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)C1 ZINC001435223637 1064604648 /nfs/dbraw/zinc/60/46/48/1064604648.db2.gz YTJVLVZCGZRTJL-RTBURBONSA-N 0 0 454.596 4.676 20 0 JJADRN CC[C@H](OC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(C)(C)c1ccccc1 ZINC001435223468 1064604675 /nfs/dbraw/zinc/60/46/75/1064604675.db2.gz WVALUBHRGAAWCI-NRFANRHFSA-N 0 0 456.587 4.763 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359899001 1064604735 /nfs/dbraw/zinc/60/47/35/1064604735.db2.gz FHXXGSKUQLXUBI-CVDCTZTESA-N 0 0 468.564 4.866 20 0 JJADRN Cc1noc(C)c1C[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC001435225238 1064605444 /nfs/dbraw/zinc/60/54/44/1064605444.db2.gz PYSCQNSHBAUWTK-CYBMUJFWSA-N 0 0 456.340 4.667 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)c2ccccc2NC1=O ZINC001435226453 1064606263 /nfs/dbraw/zinc/60/62/63/1064606263.db2.gz WEIGYXQZUXYZBI-CQSZACIVSA-N 0 0 454.324 4.658 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 ZINC001359899884 1064607527 /nfs/dbraw/zinc/60/75/27/1064607527.db2.gz LUKQTMARBCDCDN-AVRDEDQJSA-N 0 0 497.503 4.749 20 0 JJADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001435228119 1064607627 /nfs/dbraw/zinc/60/76/27/1064607627.db2.gz OUTPDGZGBGANOD-INIZCTEOSA-N 0 0 452.869 4.729 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccccc1F)c1ccccc1F ZINC001359900283 1064608494 /nfs/dbraw/zinc/60/84/94/1064608494.db2.gz LYEBCWQRPSPDJQ-UHFFFAOYSA-N 0 0 451.441 4.737 20 0 JJADRN CC(C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001359900486 1064609064 /nfs/dbraw/zinc/60/90/64/1064609064.db2.gz YBBCRKKPGCLOCG-LJQANCHMSA-N 0 0 467.593 4.864 20 0 JJADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001359901684 1064610856 /nfs/dbraw/zinc/61/08/56/1064610856.db2.gz MVOUQTOPANVKAX-IBGZPJMESA-N 0 0 455.562 4.957 20 0 JJADRN CC(C)CC[C@](C)(O)Cn1c(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001359901393 1064610873 /nfs/dbraw/zinc/61/08/73/1064610873.db2.gz ZZVAYDSLQNDTTQ-DFBJGRDBSA-N 0 0 465.683 4.504 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC001435231138 1064610936 /nfs/dbraw/zinc/61/09/36/1064610936.db2.gz KTRSUBGHQAFYPD-NRFANRHFSA-N 0 0 452.551 4.577 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001359901735 1064611271 /nfs/dbraw/zinc/61/12/71/1064611271.db2.gz BCDCDMLQGAGNRJ-SFHVURJKSA-N 0 0 493.494 4.613 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001359901716 1064611277 /nfs/dbraw/zinc/61/12/77/1064611277.db2.gz ANFCXXOZLLFTPH-UHFFFAOYSA-N 0 0 489.437 4.933 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001359901734 1064611521 /nfs/dbraw/zinc/61/15/21/1064611521.db2.gz BCDCDMLQGAGNRJ-GOSISDBHSA-N 0 0 493.494 4.613 20 0 JJADRN O=C(OCCCn1nc2ccccn2c1=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC001435231609 1064611493 /nfs/dbraw/zinc/61/14/93/1064611493.db2.gz MYTYMHMHZBBTIB-UHFFFAOYSA-N 0 0 458.301 4.842 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)cc2)c1 ZINC001435231501 1064611553 /nfs/dbraw/zinc/61/15/53/1064611553.db2.gz HFHFVFBHFXBOTJ-AREMUKBSSA-N 0 0 456.586 4.986 20 0 JJADRN Cc1cccc(-c2ccc(CNC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)cc2)c1 ZINC001435231749 1064611618 /nfs/dbraw/zinc/61/16/18/1064611618.db2.gz OIYDHQOYAQZDMM-WNCULLNHSA-N 0 0 450.579 4.552 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)nnc1-c1ccc(Cl)cc1 ZINC001435231943 1064612492 /nfs/dbraw/zinc/61/24/92/1064612492.db2.gz NPZBUKLCASLEJA-LJQANCHMSA-N 0 0 458.971 4.517 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(Br)s1 ZINC001435232517 1064612555 /nfs/dbraw/zinc/61/25/55/1064612555.db2.gz QJCOTNWPBOYOMX-DZGCQCFKSA-N 0 0 451.386 4.561 20 0 JJADRN CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001359902087 1064612820 /nfs/dbraw/zinc/61/28/20/1064612820.db2.gz HYMCHFIPMZWGRH-MRXNPFEDSA-N 0 0 460.424 4.589 20 0 JJADRN Cc1csc(SCc2ccccc2C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC001435232861 1064613032 /nfs/dbraw/zinc/61/30/32/1064613032.db2.gz GZEJXNCUARSDOQ-IBGZPJMESA-N 0 0 458.008 4.933 20 0 JJADRN NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)c2)CC1 ZINC001435233415 1064614043 /nfs/dbraw/zinc/61/40/43/1064614043.db2.gz SJOFMTJQYYKTHI-UHFFFAOYSA-N 0 0 457.452 4.919 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001435233044 1064614160 /nfs/dbraw/zinc/61/41/60/1064614160.db2.gz UHZHWCFMJFHIGX-RUZDIDTESA-N 0 0 458.558 4.755 20 0 JJADRN CC(C)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001359902634 1064614723 /nfs/dbraw/zinc/61/47/23/1064614723.db2.gz QUCAKEDURSJODC-UHFFFAOYSA-N 0 0 474.447 4.639 20 0 JJADRN CC(C)CCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001359902910 1064616312 /nfs/dbraw/zinc/61/63/12/1064616312.db2.gz WRRGXBRKKKEUEJ-UHFFFAOYSA-N 0 0 465.436 4.979 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)CCC(=O)N2C)cc1 ZINC001359903363 1064617884 /nfs/dbraw/zinc/61/78/84/1064617884.db2.gz WNMRLKWODFXTNI-RBBKRZOGSA-N 0 0 453.539 4.590 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001359904242 1064618780 /nfs/dbraw/zinc/61/87/80/1064618780.db2.gz SSJTVIKAEDBMNX-YADHBBJMSA-N 0 0 459.631 4.601 20 0 JJADRN CC(C)CCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001359904299 1064618827 /nfs/dbraw/zinc/61/88/27/1064618827.db2.gz MGUCRHXETMHNRX-FQEVSTJZSA-N 0 0 456.635 4.860 20 0 JJADRN CCN(C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001435239202 1064619010 /nfs/dbraw/zinc/61/90/10/1064619010.db2.gz HBEZEDXALDPAMD-RTBURBONSA-N 0 0 456.553 4.616 20 0 JJADRN CCCOc1c(Br)cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1OC ZINC001435240864 1064619747 /nfs/dbraw/zinc/61/97/47/1064619747.db2.gz DLYGELQYRDCZRN-LJQANCHMSA-N 0 0 458.356 4.614 20 0 JJADRN CC(C)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001359905595 1064620938 /nfs/dbraw/zinc/62/09/38/1064620938.db2.gz WFUBXQHKQOITJW-FQEVSTJZSA-N 0 0 450.631 4.851 20 0 JJADRN CC(C)CCCn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccccc1Cl ZINC001359905651 1064621082 /nfs/dbraw/zinc/62/10/82/1064621082.db2.gz YAAHNIYHROBFQJ-UHFFFAOYSA-N 0 0 459.978 4.611 20 0 JJADRN Cc1cc(CSc2ncccc2C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)no1 ZINC001435241963 1064621196 /nfs/dbraw/zinc/62/11/96/1064621196.db2.gz 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452.359 4.751 20 0 JJADRN CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001359912174 1064629996 /nfs/dbraw/zinc/62/99/96/1064629996.db2.gz OBFGQDGIHDKRBF-FNZWTVRRSA-N 0 0 491.677 4.561 20 0 JJADRN CC(C)CCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001359912019 1064630054 /nfs/dbraw/zinc/63/00/54/1064630054.db2.gz JUPGYNYMCMPYRX-QGZVFWFLSA-N 0 0 453.450 4.998 20 0 JJADRN CC(C)CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001359912085 1064630068 /nfs/dbraw/zinc/63/00/68/1064630068.db2.gz LMBFXKGNEVSKQM-LEWJYISDSA-N 0 0 456.587 4.705 20 0 JJADRN C[C@H](NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435253591 1064630153 /nfs/dbraw/zinc/63/01/53/1064630153.db2.gz KYPKOVBXBGTWSF-XDHUDOTRSA-N 0 0 454.492 4.790 20 0 JJADRN CC(C)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001359912287 1064630525 /nfs/dbraw/zinc/63/05/25/1064630525.db2.gz SCYAAAIDLFEIOF-LJQANCHMSA-N 0 0 471.092 4.673 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)C1(C)C ZINC001435254436 1064631013 /nfs/dbraw/zinc/63/10/13/1064631013.db2.gz OSSUTPRZNPQOCD-RTBURBONSA-N 0 0 451.361 4.600 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)C1(C)C ZINC001435254428 1064631061 /nfs/dbraw/zinc/63/10/61/1064631061.db2.gz OSSUTPRZNPQOCD-OALUTQOASA-N 0 0 451.361 4.600 20 0 JJADRN Cc1ccc(C)c(OCCCCC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC001435254344 1064631103 /nfs/dbraw/zinc/63/11/03/1064631103.db2.gz QOOHIAGOPYKBKR-HSZRJFAPSA-N 0 0 450.579 4.807 20 0 JJADRN CCCCCC[C@H](C)N(C(=O)Cn1cc(Br)cn1)c1ccccc1C(=O)OC ZINC001435254320 1064631119 /nfs/dbraw/zinc/63/11/19/1064631119.db2.gz QGJOHEXUZGRSHV-INIZCTEOSA-N 0 0 450.377 4.824 20 0 JJADRN O=C(CCc1cccc(OC(F)F)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001435254023 1064631170 /nfs/dbraw/zinc/63/11/70/1064631170.db2.gz CAVDGOHNCOIFKK-UHFFFAOYSA-N 0 0 456.533 4.650 20 0 JJADRN CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 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C[C@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)c1c(Cl)cccc1Cl ZINC001359916207 1064637644 /nfs/dbraw/zinc/63/76/44/1064637644.db2.gz NMBSQNLODUIIHS-LLVKDONJSA-N 0 0 454.155 4.870 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)c(C)c2c1 ZINC001359916999 1064638264 /nfs/dbraw/zinc/63/82/64/1064638264.db2.gz OLJFHGONBUGLOX-KRWDZBQOSA-N 0 0 459.564 4.580 20 0 JJADRN CC(C)CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001359917566 1064639438 /nfs/dbraw/zinc/63/94/38/1064639438.db2.gz HJHGYNHQNKOMQF-PMACEKPBSA-N 0 0 480.657 4.922 20 0 JJADRN CCCCOc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001435263236 1064639933 /nfs/dbraw/zinc/63/99/33/1064639933.db2.gz AZOWWONGHPLSDN-LJQANCHMSA-N 0 0 458.986 4.579 20 0 JJADRN O=C(Cc1ccccc1OC1CCCC1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001435264773 1064641563 /nfs/dbraw/zinc/64/15/63/1064641563.db2.gz LZCFKSHPIIGKRF-SANMLTNESA-N 0 0 456.586 4.594 20 0 JJADRN CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001359918503 1064641920 /nfs/dbraw/zinc/64/19/20/1064641920.db2.gz JHCAPVDZDGKFSM-IBGZPJMESA-N 0 0 451.681 4.771 20 0 JJADRN O=C(Cc1cc(Br)ccc1Cl)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435265095 1064642585 /nfs/dbraw/zinc/64/25/85/1064642585.db2.gz IFCOZFCDTYHADN-MRXNPFEDSA-N 0 0 456.167 4.610 20 0 JJADRN CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COc2ccccc2O1 ZINC001359918880 1064642652 /nfs/dbraw/zinc/64/26/52/1064642652.db2.gz QYKCUSYRUKJARO-NRFANRHFSA-N 0 0 499.656 4.715 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001435265339 1064642655 /nfs/dbraw/zinc/64/26/55/1064642655.db2.gz JNZYQJKLAOOPNR-LJQANCHMSA-N 0 0 457.958 4.921 20 0 JJADRN COc1ccc(CCNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1F ZINC001359919528 1064643289 /nfs/dbraw/zinc/64/32/89/1064643289.db2.gz KEHITXASSMYWRP-UHFFFAOYSA-N 0 0 451.329 4.818 20 0 JJADRN CCC(CC)N1C[C@H](C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)CC1=O ZINC001359919412 1064643370 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450.631 4.625 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)cc1OCC1CCOCC1 ZINC001435267572 1064645869 /nfs/dbraw/zinc/64/58/69/1064645869.db2.gz UQYDXXPBMNNDJU-YADHBBJMSA-N 0 0 458.599 4.917 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001359920985 1064645854 /nfs/dbraw/zinc/64/58/54/1064645854.db2.gz QPPVAZAZBLPDCM-NRFANRHFSA-N 0 0 459.610 4.890 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2ccccc2F)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359920880 1064645889 /nfs/dbraw/zinc/64/58/89/1064645889.db2.gz MNNHZUIDHAPATP-UHFFFAOYSA-N 0 0 469.552 4.650 20 0 JJADRN CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1nc(C(F)(F)F)cs1 ZINC001359920859 1064646064 /nfs/dbraw/zinc/64/60/64/1064646064.db2.gz MAHLVDLZODOUQR-UHFFFAOYSA-N 0 0 463.533 4.523 20 0 JJADRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)C1CCN(CC(F)(F)F)CC1 ZINC001435267411 1064645995 /nfs/dbraw/zinc/64/59/95/1064645995.db2.gz KHOMHTVEHDHKSL-UHFFFAOYSA-N 0 0 458.278 4.849 20 0 JJADRN CC(C)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nccc(C(F)(F)F)n1 ZINC001359921320 1064647088 /nfs/dbraw/zinc/64/70/88/1064647088.db2.gz DZPWARRZBZBNPE-VQIMIIECSA-N 0 0 468.568 4.731 20 0 JJADRN CC(C)CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccsc1Br ZINC001359921536 1064647702 /nfs/dbraw/zinc/64/77/02/1064647702.db2.gz LJYJAYRJYLLIAT-UHFFFAOYSA-N 0 0 482.473 4.624 20 0 JJADRN CC(C)CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1Br ZINC001359921737 1064648744 /nfs/dbraw/zinc/64/87/44/1064648744.db2.gz SKGPCXOMHDSHFY-UHFFFAOYSA-N 0 0 476.444 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2ccnn2Cc2ccccc2F)C1 ZINC001359921860 1064649348 /nfs/dbraw/zinc/64/93/48/1064649348.db2.gz BNOXLXRXSVMXEM-UHFFFAOYSA-N 0 0 450.514 4.616 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)Oc1ccccc1 ZINC001359922032 1064649380 /nfs/dbraw/zinc/64/93/80/1064649380.db2.gz ZZZGXPSFPYMFNC-NJYVYQBISA-N 0 0 471.646 4.999 20 0 JJADRN CC(C)CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)Oc1ccccc1 ZINC001359922033 1064650425 /nfs/dbraw/zinc/65/04/25/1064650425.db2.gz ZZZGXPSFPYMFNC-PCCBWWKXSA-N 0 0 471.646 4.999 20 0 JJADRN CC(C)CCN(c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)C(C)(C)C)C1CC1 ZINC001359923282 1064651253 /nfs/dbraw/zinc/65/12/53/1064651253.db2.gz FCYOLBDNKKBVKT-UHFFFAOYSA-N 0 0 497.503 4.936 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)OCc2c(C)nn(C)c2Cl)cs1 ZINC001435272910 1064651338 /nfs/dbraw/zinc/65/13/38/1064651338.db2.gz XZYZRINDDSKQQH-UHFFFAOYSA-N 0 0 456.749 4.634 20 0 JJADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001435273248 1064651431 /nfs/dbraw/zinc/65/14/31/1064651431.db2.gz PEWYFLZZINZBCK-OAQYLSRUSA-N 0 0 451.523 4.772 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)cc2)o1 ZINC001435273538 1064651460 /nfs/dbraw/zinc/65/14/60/1064651460.db2.gz JWNJSUUIHISGHP-NPZXAABXSA-N 0 0 450.926 4.731 20 0 JJADRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2csc(-c3cc(Br)cs3)n2)no1 ZINC001435273089 1064651478 /nfs/dbraw/zinc/65/14/78/1064651478.db2.gz ARPDOTQCLWYMBG-ZDUSSCGKSA-N 0 0 453.387 4.622 20 0 JJADRN CC(C)CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC001359923498 1064652039 /nfs/dbraw/zinc/65/20/39/1064652039.db2.gz LHNRGNLYLHKVEW-HXUWFJFHSA-N 0 0 482.597 4.529 20 0 JJADRN CC(C)CCN(c1nnc(-c2ccccc2Br)n1CC[C@@H]1COCCO1)C1CC1 ZINC001359923438 1064652077 /nfs/dbraw/zinc/65/20/77/1064652077.db2.gz JVJWSSKVXQBVHY-GOSISDBHSA-N 0 0 463.420 4.528 20 0 JJADRN CC(C)CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 ZINC001359923415 1064652167 /nfs/dbraw/zinc/65/21/67/1064652167.db2.gz JHOKVEAFHXXKJC-UHFFFAOYSA-N 0 0 485.629 4.992 20 0 JJADRN O=C(CCCCCc1ccc(I)cc1)N1CCCC[C@H]1c1ncon1 ZINC001435273918 1064652407 /nfs/dbraw/zinc/65/24/07/1064652407.db2.gz LIKZATNRUNSIAN-KRWDZBQOSA-N 0 0 453.324 4.531 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1 ZINC001435274620 1064653124 /nfs/dbraw/zinc/65/31/24/1064653124.db2.gz VAAFUVMSNNAPRG-UHFFFAOYSA-N 0 0 453.998 4.626 20 0 JJADRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Sc2ccc(Br)cc2)o1 ZINC001435274505 1064653224 /nfs/dbraw/zinc/65/32/24/1064653224.db2.gz TVPOYMSOTFKSLS-YJYMSZOUSA-N 0 0 458.381 4.947 20 0 JJADRN CC(C)CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC001359923708 1064653471 /nfs/dbraw/zinc/65/34/71/1064653471.db2.gz SZXPBGGPJJFNRU-QFBILLFUSA-N 0 0 464.452 4.612 20 0 JJADRN CC(C)CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 ZINC001359923740 1064653530 /nfs/dbraw/zinc/65/35/30/1064653530.db2.gz UKPCMWIMGDZVMO-QUCCMNQESA-N 0 0 474.049 4.549 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)c2ccncc2)cc1 ZINC001435275253 1064654090 /nfs/dbraw/zinc/65/40/90/1064654090.db2.gz AYGMLIGWRVJSFH-UHFFFAOYSA-N 0 0 457.555 4.929 20 0 JJADRN CCN(CC)C(=O)c1ccc(OC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1 ZINC001435275154 1064654204 /nfs/dbraw/zinc/65/42/04/1064654204.db2.gz HAHGONDEHGQWBD-UHFFFAOYSA-N 0 0 456.340 4.644 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC001435275091 1064654224 /nfs/dbraw/zinc/65/42/24/1064654224.db2.gz FNSYGABXCXZGFC-UHFFFAOYSA-N 0 0 451.426 4.803 20 0 JJADRN CN(C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001435276105 1064654240 /nfs/dbraw/zinc/65/42/40/1064654240.db2.gz GMJUEASHLZQBGD-QZTJIDSGSA-N 0 0 456.395 4.560 20 0 JJADRN CC(C)CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC001359924009 1064654348 /nfs/dbraw/zinc/65/43/48/1064654348.db2.gz DUBHSSVWLREANO-UHFFFAOYSA-N 0 0 464.948 4.997 20 0 JJADRN CC(C)CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1)C1CC1 ZINC001359924189 1064654403 /nfs/dbraw/zinc/65/44/03/1064654403.db2.gz JACYRQQCFCQXCC-IBGZPJMESA-N 0 0 483.604 4.647 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCNC(=O)OC(C)(C)C)C1CC1 ZINC001359924501 1064655248 /nfs/dbraw/zinc/65/52/48/1064655248.db2.gz RETJBXMZARYMTG-JOCHJYFZSA-N 0 0 485.629 4.720 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001435276812 1064655644 /nfs/dbraw/zinc/65/56/44/1064655644.db2.gz OXQNSDHZNONXOF-FQEVSTJZSA-N 0 0 457.571 4.781 20 0 JJADRN COc1ccc(OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1OC ZINC001435276787 1064655749 /nfs/dbraw/zinc/65/57/49/1064655749.db2.gz MMAPRBLRBKJHFC-UHFFFAOYSA-N 0 0 454.319 4.805 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CCc2ncc(C(C)(C)C)o2)c2ccc(OC)cc2)n1 ZINC001435277441 1064655755 /nfs/dbraw/zinc/65/57/55/1064655755.db2.gz KCGNFIAQKIZIFD-UHFFFAOYSA-N 0 0 457.552 4.911 20 0 JJADRN CC(C)CCN(c1nnc([C@H]2CCCOC2)n1C[C@H](c1c(F)cccc1F)N(C)C)C1CC1 ZINC001359924666 1064655850 /nfs/dbraw/zinc/65/58/50/1064655850.db2.gz WAWFLSKGWGJUMQ-PGRDOPGGSA-N 0 0 461.601 4.768 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)Nc2cccc(N(C)C(C)C)c2)nnc1-c1ccccc1 ZINC001359925110 1064656224 /nfs/dbraw/zinc/65/62/24/1064656224.db2.gz NEAUBMJDWQKXKI-SFHVURJKSA-N 0 0 453.612 4.728 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001435277744 1064656273 /nfs/dbraw/zinc/65/62/73/1064656273.db2.gz HRMWYUBMFDPSDF-RPWUZVMVSA-N 0 0 456.652 4.574 20 0 JJADRN CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001435278604 1064656351 /nfs/dbraw/zinc/65/63/51/1064656351.db2.gz PFRQXFRCSASXOT-DOTOQJQBSA-N 0 0 457.379 4.609 20 0 JJADRN CSc1ccc(F)cc1CNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC001435278622 1064657297 /nfs/dbraw/zinc/65/72/97/1064657297.db2.gz WTMWHWJMSHQUFA-MRXNPFEDSA-N 0 0 458.580 4.517 20 0 JJADRN CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001435278607 1064657356 /nfs/dbraw/zinc/65/73/56/1064657356.db2.gz PFRQXFRCSASXOT-WBVHZDCISA-N 0 0 457.379 4.609 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001359926349 1064657993 /nfs/dbraw/zinc/65/79/93/1064657993.db2.gz LMUJBJGXZKMWMM-NRFANRHFSA-N 0 0 482.673 4.926 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2ccc(Br)cc2C)c(Br)cc1F ZINC001435280420 1064657917 /nfs/dbraw/zinc/65/79/17/1064657917.db2.gz LOVMZOSDPUZTCQ-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c2ccccc12 ZINC001435279888 1064657980 /nfs/dbraw/zinc/65/79/80/1064657980.db2.gz HHPNXIWHDVBJPX-HDICACEKSA-N 0 0 453.560 4.734 20 0 JJADRN Cc1csc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c1I ZINC001435279281 1064658053 /nfs/dbraw/zinc/65/80/53/1064658053.db2.gz YIGQUGYFMNDPTG-UHFFFAOYSA-N 0 0 457.667 4.846 20 0 JJADRN COC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2)c(Br)cc1F ZINC001435281853 1064658807 /nfs/dbraw/zinc/65/88/07/1064658807.db2.gz TWEIVODUUAXICH-UHFFFAOYSA-N 0 0 459.109 4.709 20 0 JJADRN COc1cc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)ccc1C ZINC001435282035 1064658837 /nfs/dbraw/zinc/65/88/37/1064658837.db2.gz ADSFVKRFHXVVTE-UHFFFAOYSA-N 0 0 459.365 4.775 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(C)sc2Br)c(Br)cc1F ZINC001435282173 1064659466 /nfs/dbraw/zinc/65/94/66/1064659466.db2.gz XCMDBKCNBWGNCU-UHFFFAOYSA-N 0 0 451.111 4.760 20 0 JJADRN CO[C@H](CNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)(C)C ZINC001435282371 1064659588 /nfs/dbraw/zinc/65/95/88/1064659588.db2.gz FHBVBMMPLUBZCA-WMLDXEAASA-N 0 0 459.637 4.863 20 0 JJADRN CC(C)CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC001359926646 1064660365 /nfs/dbraw/zinc/66/03/65/1064660365.db2.gz WMBGXLWBQOQLES-IBGZPJMESA-N 0 0 467.555 4.907 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(F)c1 ZINC001435282897 1064660606 /nfs/dbraw/zinc/66/06/06/1064660606.db2.gz LDTNKNVLGAFCGM-VGOFRKELSA-N 0 0 452.507 4.715 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H](CCOC)Cc3cccc(Br)c3)cc2)o1 ZINC001435282938 1064660677 /nfs/dbraw/zinc/66/06/77/1064660677.db2.gz LMCLKBSNYCLFAW-QGZVFWFLSA-N 0 0 458.356 4.895 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(F)c1 ZINC001435282895 1064660684 /nfs/dbraw/zinc/66/06/84/1064660684.db2.gz LDTNKNVLGAFCGM-JTSKRJEESA-N 0 0 452.507 4.715 20 0 JJADRN CCc1ccccc1CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001435283496 1064660918 /nfs/dbraw/zinc/66/09/18/1064660918.db2.gz XUPVBUCPXIURRG-UHFFFAOYSA-N 0 0 457.393 4.949 20 0 JJADRN Cc1nc(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)sc1C ZINC001435283467 1064661081 /nfs/dbraw/zinc/66/10/81/1064661081.db2.gz WYWFJZRRUOQFQN-UHFFFAOYSA-N 0 0 450.383 4.531 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)O[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cnc12 ZINC001435284234 1064661969 /nfs/dbraw/zinc/66/19/69/1064661969.db2.gz XTHUANLOZXARIX-GOSISDBHSA-N 0 0 458.358 4.961 20 0 JJADRN C[C@@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc2ccccc2c1 ZINC001435285654 1064662643 /nfs/dbraw/zinc/66/26/43/1064662643.db2.gz WVMJYENMXHIPBF-GOSISDBHSA-N 0 0 456.633 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1CC1CCC(F)(F)CC1 ZINC001545890010 1064662705 /nfs/dbraw/zinc/66/27/05/1064662705.db2.gz NWVLCYIGMNGFIG-UHFFFAOYSA-N 0 0 475.584 4.593 20 0 JJADRN CCOCCOCc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1C ZINC001435286523 1064663155 /nfs/dbraw/zinc/66/31/55/1064663155.db2.gz NJIDELGZLUYAIB-UHFFFAOYSA-N 0 0 456.764 4.982 20 0 JJADRN CC(C)(CNC(=O)c1scnc1Br)Sc1ccc(Br)cc1 ZINC001435286983 1064663327 /nfs/dbraw/zinc/66/33/27/1064663327.db2.gz CTNODMSURRQEBU-UHFFFAOYSA-N 0 0 450.221 4.969 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001359928544 1064664662 /nfs/dbraw/zinc/66/46/62/1064664662.db2.gz IDHKEEMGSGINGK-LLVKDONJSA-N 0 0 454.495 4.745 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)cc2)c1 ZINC001435289517 1064665706 /nfs/dbraw/zinc/66/57/06/1064665706.db2.gz GOLXGRGOCYCDMC-QGZVFWFLSA-N 0 0 455.507 4.638 20 0 JJADRN CC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1nc(C(F)(F)F)cs1 ZINC001435290668 1064666517 /nfs/dbraw/zinc/66/65/17/1064666517.db2.gz MLMGRIOQTWYOMK-CYBMUJFWSA-N 0 0 456.440 4.996 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccnc2OCC(C)C)cc1 ZINC001435290238 1064666706 /nfs/dbraw/zinc/66/67/06/1064666706.db2.gz HGUDLBMESRDPPO-UHFFFAOYSA-N 0 0 454.548 4.955 20 0 JJADRN CO[C@H](CNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)cc1 ZINC001435291746 1064668263 /nfs/dbraw/zinc/66/82/63/1064668263.db2.gz WHOGBQAKDUBBSP-IUKKYPGJSA-N 0 0 458.986 4.626 20 0 JJADRN C[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001435292552 1064668302 /nfs/dbraw/zinc/66/83/02/1064668302.db2.gz CCGMBVNHZHULIZ-LLVKDONJSA-N 0 0 459.255 4.790 20 0 JJADRN CC(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCc2sccc2C1 ZINC001359930410 1064668510 /nfs/dbraw/zinc/66/85/10/1064668510.db2.gz HEYOWHCJHGVKAK-UHFFFAOYSA-N 0 0 458.031 4.922 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1 ZINC001435292661 1064668818 /nfs/dbraw/zinc/66/88/18/1064668818.db2.gz COQLVBQEMSWYFV-ADYAMRHXSA-N 0 0 455.769 4.750 20 0 JJADRN COCCCOc1ccc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)cn1 ZINC001435292755 1064668877 /nfs/dbraw/zinc/66/88/77/1064668877.db2.gz YDCROZFZWIPMKF-UHFFFAOYSA-N 0 0 453.402 4.560 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001545890087 1064669610 /nfs/dbraw/zinc/66/96/10/1064669610.db2.gz PRFJMGSRDNWWAJ-RBUKOAKNSA-N 0 0 498.672 4.576 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 ZINC001435293367 1064669689 /nfs/dbraw/zinc/66/96/89/1064669689.db2.gz XHPHBBQBEUCCSF-YGOYIFOWSA-N 0 0 452.595 4.783 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[C@@H]1C[C@]1(C)Br ZINC001359932218 1064669990 /nfs/dbraw/zinc/66/99/90/1064669990.db2.gz KRSKIAASJIWJIK-LRDDRELGSA-N 0 0 455.702 4.708 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C ZINC001435294491 1064670265 /nfs/dbraw/zinc/67/02/65/1064670265.db2.gz AZRDIYKIVVBWMB-VKJFTORMSA-N 0 0 452.393 4.907 20 0 JJADRN C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)Oc1ccc(Cl)cc1 ZINC001435294588 1064670273 /nfs/dbraw/zinc/67/02/73/1064670273.db2.gz RDCOVEDSVUPSSQ-QRWLVFNGSA-N 0 0 451.792 4.823 20 0 JJADRN CC(C)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001359932755 1064670658 /nfs/dbraw/zinc/67/06/58/1064670658.db2.gz DVMPVSLUHPUZEO-GSHUGGBRSA-N 0 0 463.420 4.526 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001435295045 1064671407 /nfs/dbraw/zinc/67/14/07/1064671407.db2.gz HEIBXTFBSQGRGN-DIFFPNOSSA-N 0 0 457.155 4.617 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001359932789 1064671472 /nfs/dbraw/zinc/67/14/72/1064671472.db2.gz FQVLLBZBXIFBBD-UHFFFAOYSA-N 0 0 491.478 4.701 20 0 JJADRN Cc1cc(Br)ncc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC001435295877 1064671817 /nfs/dbraw/zinc/67/18/17/1064671817.db2.gz OKHSSMXMFAGJJO-UHFFFAOYSA-N 0 0 450.387 4.538 20 0 JJADRN CCOc1ccc(C(C)(C)C(=O)N(CC)CC2CCN(c3ccccn3)CC2)cc1OCC ZINC001435296132 1064672892 /nfs/dbraw/zinc/67/28/92/1064672892.db2.gz GSJTZDBXAGDJGT-UHFFFAOYSA-N 0 0 453.627 4.922 20 0 JJADRN CC(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001359932997 1064673074 /nfs/dbraw/zinc/67/30/74/1064673074.db2.gz AFFDKUAGPLTUJF-UHFFFAOYSA-N 0 0 452.430 4.993 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1sc(-c2ccc(OC)cc2)nc1C ZINC001435297816 1064673549 /nfs/dbraw/zinc/67/35/49/1064673549.db2.gz QKCKHNFVUOUIAR-UHFFFAOYSA-N 0 0 450.608 4.901 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccnn1-c1ccc(Cl)cc1 ZINC001435298076 1064673592 /nfs/dbraw/zinc/67/35/92/1064673592.db2.gz SFXTXJCEOAIJLI-UHFFFAOYSA-N 0 0 455.902 4.555 20 0 JJADRN CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001359933387 1064673744 /nfs/dbraw/zinc/67/37/44/1064673744.db2.gz QZVGGYCHIPKGNG-UYAOXDASSA-N 0 0 474.049 4.860 20 0 JJADRN CCSCC[C@@H](C)NC(=O)c1cc(I)cc(Br)c1C ZINC001435301660 1064675189 /nfs/dbraw/zinc/67/51/89/1064675189.db2.gz IQDMTLCOFRHIKD-SECBINFHSA-N 0 0 456.187 4.624 20 0 JJADRN CC(C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001359933616 1064675455 /nfs/dbraw/zinc/67/54/55/1064675455.db2.gz VAOMGQJJXSKHEX-UHFFFAOYSA-N 0 0 478.435 4.668 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001359933611 1064675516 /nfs/dbraw/zinc/67/55/16/1064675516.db2.gz UZHRWXFZAVJOBC-DGCLKSJQSA-N 0 0 467.355 4.971 20 0 JJADRN CC(C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001359933755 1064676143 /nfs/dbraw/zinc/67/61/43/1064676143.db2.gz XHWDFHMWQVIXQX-LJQANCHMSA-N 0 0 493.837 4.719 20 0 JJADRN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001359933878 1064677107 /nfs/dbraw/zinc/67/71/07/1064677107.db2.gz ZUEMFZXNEYDGGF-UHFFFAOYSA-N 0 0 460.424 4.642 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001435302707 1064677866 /nfs/dbraw/zinc/67/78/66/1064677866.db2.gz SRUJWCZBCHQXRK-UHFFFAOYSA-N 0 0 456.152 4.901 20 0 JJADRN CN1CCCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c2cc(Cl)ccc21 ZINC001435302626 1064677871 /nfs/dbraw/zinc/67/78/71/1064677871.db2.gz PEHVPACTDVMIIB-UHFFFAOYSA-N 0 0 453.827 4.565 20 0 JJADRN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC001359934752 1064678533 /nfs/dbraw/zinc/67/85/33/1064678533.db2.gz UJHCLZNDKWSHSB-UHFFFAOYSA-N 0 0 450.560 4.894 20 0 JJADRN CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001359935552 1064678543 /nfs/dbraw/zinc/67/85/43/1064678543.db2.gz ITHYYQGRDSTQDS-QFIPXVFZSA-N 0 0 458.555 4.747 20 0 JJADRN CCCN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001359936228 1064679962 /nfs/dbraw/zinc/67/99/62/1064679962.db2.gz SFYJYIVHCPTGFQ-JOCHJYFZSA-N 0 0 451.567 4.545 20 0 JJADRN CC(C)CCn1c(-c2cnn(C)c2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001359937151 1064680237 /nfs/dbraw/zinc/68/02/37/1064680237.db2.gz PMYBCPMPWPFWDQ-UHFFFAOYSA-N 0 0 451.550 4.588 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)Cc1nsc2ccccc12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001359938319 1064681406 /nfs/dbraw/zinc/68/14/06/1064681406.db2.gz LNASUZDEPPFRDS-XDHUDOTRSA-N 0 0 450.608 4.609 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 ZINC001435307816 1064681474 /nfs/dbraw/zinc/68/14/74/1064681474.db2.gz IVVTUAQWESYQAU-VWNXMTODSA-N 0 0 455.620 4.674 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 ZINC001435307813 1064681524 /nfs/dbraw/zinc/68/15/24/1064681524.db2.gz IVVTUAQWESYQAU-LADGPHEKSA-N 0 0 455.620 4.674 20 0 JJADRN Cc1cc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c(I)cc1Cl ZINC001435308283 1064681612 /nfs/dbraw/zinc/68/16/12/1064681612.db2.gz XZZRFHWQLOONEG-LBPRGKRZSA-N 0 0 454.739 4.986 20 0 JJADRN Cc1cccc2c(=O)n(CC(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCCC3)cnc12 ZINC001435308196 1064681629 /nfs/dbraw/zinc/68/16/29/1064681629.db2.gz LAXQESKZMBVESG-UHFFFAOYSA-N 0 0 457.496 4.742 20 0 JJADRN CCn1c(SCC(=O)N2C[C@@H](C)CN(C)c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC001435308609 1064682513 /nfs/dbraw/zinc/68/25/13/1064682513.db2.gz CZSPMIKKPVHUAF-INIZCTEOSA-N 0 0 456.015 4.830 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001545890162 1064682659 /nfs/dbraw/zinc/68/26/59/1064682659.db2.gz SIJALVCGOFNABJ-LTMIRXACSA-N 0 0 471.621 4.520 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 ZINC001435308844 1064682712 /nfs/dbraw/zinc/68/27/12/1064682712.db2.gz QJXQSKNKTXNWBL-SDHSZQHLSA-N 0 0 452.595 4.920 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001359939732 1064683433 /nfs/dbraw/zinc/68/34/33/1064683433.db2.gz WIZOYWGUSUXTML-CTNGQTDRSA-N 0 0 485.677 4.686 20 0 JJADRN CC(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)[C@H]1C ZINC001359939870 1064684065 /nfs/dbraw/zinc/68/40/65/1064684065.db2.gz ZBHPHFZERMQTMA-QZTJIDSGSA-N 0 0 454.644 4.612 20 0 JJADRN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccccc1F)C1CC1 ZINC001359940078 1064684164 /nfs/dbraw/zinc/68/41/64/1064684164.db2.gz FIGLKEROIIXINO-QFIPXVFZSA-N 0 0 487.620 4.941 20 0 JJADRN C[C@@]1(C(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)Oc2ccccc2NC1=O ZINC001435309500 1064684291 /nfs/dbraw/zinc/68/42/91/1064684291.db2.gz ZLGYYGQUFGSOJZ-HSZRJFAPSA-N 0 0 457.404 4.980 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)o1 ZINC001435311404 1064684911 /nfs/dbraw/zinc/68/49/11/1064684911.db2.gz JEJCMEMPQPAEKZ-KXBFYZLASA-N 0 0 450.576 4.671 20 0 JJADRN O=C(N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)c1ocnc1C1CC1 ZINC001359940439 1064685085 /nfs/dbraw/zinc/68/50/85/1064685085.db2.gz FUMUUWAOTJPNKF-SFHVURJKSA-N 0 0 458.287 4.563 20 0 JJADRN CC(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001359941324 1064685691 /nfs/dbraw/zinc/68/56/91/1064685691.db2.gz RZJSGRUAJJOAPD-UHFFFAOYSA-N 0 0 473.593 4.654 20 0 JJADRN CC(C)(C)c1cnc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001435314369 1064686829 /nfs/dbraw/zinc/68/68/29/1064686829.db2.gz ZBSHCOJMJVEHHZ-CYBMUJFWSA-N 0 0 455.367 4.591 20 0 JJADRN Cc1nn(CC(=O)NC[C@@H](C)Oc2cccc(F)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001435314000 1064686880 /nfs/dbraw/zinc/68/68/80/1064686880.db2.gz FGBFKILXMGJJNC-CYBMUJFWSA-N 0 0 452.452 4.605 20 0 JJADRN Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)CCCN1C(=O)CCC1=O ZINC001435314779 1064686926 /nfs/dbraw/zinc/68/69/26/1064686926.db2.gz UJEQQRZLGRIWJT-UHFFFAOYSA-N 0 0 450.514 4.599 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC001359943062 1064687342 /nfs/dbraw/zinc/68/73/42/1064687342.db2.gz AJYMCQROOKYKQD-HOCLYGCPSA-N 0 0 459.450 4.985 20 0 JJADRN CC(C)CCn1c(Cc2ccccn2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001359943147 1064687346 /nfs/dbraw/zinc/68/73/46/1064687346.db2.gz SQCCEOVZUZEIJU-CBQGHPETSA-N 0 0 468.646 4.677 20 0 JJADRN CC(C)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359942925 1064687367 /nfs/dbraw/zinc/68/73/67/1064687367.db2.gz NAKQYJYIBMHMMN-UHFFFAOYSA-N 0 0 464.538 4.943 20 0 JJADRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001359943146 1064687374 /nfs/dbraw/zinc/68/73/74/1064687374.db2.gz BKWAPKHITPPVEH-SFHVURJKSA-N 0 0 453.421 4.926 20 0 JJADRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1=O ZINC001435315637 1064687384 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DNJVLIPJTGDFNA-IBGZPJMESA-N 0 0 476.065 4.934 20 0 JJADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001435316637 1064689176 /nfs/dbraw/zinc/68/91/76/1064689176.db2.gz KNBCWPRFZHPLJG-XMSQKQJNSA-N 0 0 451.567 4.710 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)ccc1F ZINC001435317013 1064690257 /nfs/dbraw/zinc/69/02/57/1064690257.db2.gz LBVJYJMKOYQSRL-FUHWJXTLSA-N 0 0 455.530 4.711 20 0 JJADRN COc1ccc(CCC(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1OC ZINC001435317034 1064690277 /nfs/dbraw/zinc/69/02/77/1064690277.db2.gz LHXXITKOYOPERC-INIZCTEOSA-N 0 0 458.555 4.869 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)CC2=O)ccc1F ZINC001435317015 1064690308 /nfs/dbraw/zinc/69/03/08/1064690308.db2.gz LBVJYJMKOYQSRL-WMZOPIPTSA-N 0 0 455.530 4.711 20 0 JJADRN CC(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001359944357 1064690672 /nfs/dbraw/zinc/69/06/72/1064690672.db2.gz RLAZOYUPALQYBM-HXUWFJFHSA-N 0 0 461.035 4.581 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001359944294 1064690812 /nfs/dbraw/zinc/69/08/12/1064690812.db2.gz OUPMSZSMLUMJBU-MRXNPFEDSA-N 0 0 457.409 4.662 20 0 JJADRN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001359944392 1064690820 /nfs/dbraw/zinc/69/08/20/1064690820.db2.gz SACRTGZOLMXRCN-WMLDXEAASA-N 0 0 491.352 4.822 20 0 JJADRN COc1cc(-c2cc(C(=O)N[C@H](C)CC(C)(C)OC)c3ccccc3n2)cc(OC)c1OC ZINC001435318070 1064690979 /nfs/dbraw/zinc/69/09/79/1064690979.db2.gz GZHYXZUSUOQXHO-MRXNPFEDSA-N 0 0 452.551 4.861 20 0 JJADRN CNC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 ZINC001435317969 1064691006 /nfs/dbraw/zinc/69/10/06/1064691006.db2.gz OCFBEOVWMHLCNB-QFIPXVFZSA-N 0 0 453.926 4.628 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1 ZINC001435318390 1064691936 /nfs/dbraw/zinc/69/19/36/1064691936.db2.gz UNSRFSJXNBXWPP-CQSZACIVSA-N 0 0 458.946 4.708 20 0 JJADRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc(Br)cc1Br ZINC001435319172 1064692620 /nfs/dbraw/zinc/69/26/20/1064692620.db2.gz XSCRLDSLNIWPCQ-UHFFFAOYSA-N 0 0 457.137 4.786 20 0 JJADRN CO[C@@H](C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)c1cnn(C)c1 ZINC001359945495 1064693431 /nfs/dbraw/zinc/69/34/31/1064693431.db2.gz OZFWZUAAIPWJQS-GOSISDBHSA-N 0 0 450.486 4.690 20 0 JJADRN COc1cc(OC)cc(C2(C(=O)N3CCC([C@@H]4CCCCCN4C(C)=O)CC3)CCCC2)c1 ZINC001359945795 1064693499 /nfs/dbraw/zinc/69/34/99/1064693499.db2.gz BAPWZYJIXJXUID-VWLOTQADSA-N 0 0 456.627 4.545 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(C(F)F)nc2)c2ccc(Cl)cc2)c1 ZINC001435319558 1064693602 /nfs/dbraw/zinc/69/36/02/1064693602.db2.gz DYPVBWMSNYXMFU-IBGZPJMESA-N 0 0 450.894 4.596 20 0 JJADRN C[C@H](CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)Oc1ccccc1Cl ZINC001435319894 1064693656 /nfs/dbraw/zinc/69/36/56/1064693656.db2.gz SUSBFTDYWNYMOE-MRXNPFEDSA-N 0 0 456.901 4.694 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1C ZINC001435320226 1064694331 /nfs/dbraw/zinc/69/43/31/1064694331.db2.gz NNOJABQWVFCTHG-LOSJGSFVSA-N 0 0 457.526 4.874 20 0 JJADRN C[C@H]1CN(C(=O)/C=C/c2ccccc2C(F)(F)F)CCN1C(=O)Cc1cccc(Cl)c1 ZINC001435320148 1064694396 /nfs/dbraw/zinc/69/43/96/1064694396.db2.gz LFMGYTSHYNOCLF-SCOAYWHSSA-N 0 0 450.888 4.674 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1C ZINC001435320225 1064694460 /nfs/dbraw/zinc/69/44/60/1064694460.db2.gz NNOJABQWVFCTHG-DQEYMECFSA-N 0 0 457.526 4.874 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)cnn1-c1ccc(F)cc1 ZINC001359946877 1064694938 /nfs/dbraw/zinc/69/49/38/1064694938.db2.gz RPLKQABJBFLZQR-XMMPIXPASA-N 0 0 454.590 4.607 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cnn1-c1ccc(F)cc1 ZINC001359946876 1064694959 /nfs/dbraw/zinc/69/49/59/1064694959.db2.gz RPLKQABJBFLZQR-DEOSSOPVSA-N 0 0 454.590 4.607 20 0 JJADRN CC(C)(CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1c(Cl)cccc1Cl ZINC001359946920 1064695025 /nfs/dbraw/zinc/69/50/25/1064695025.db2.gz UBZICSOLDFRKKD-UHFFFAOYSA-N 0 0 450.341 4.705 20 0 JJADRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001359947307 1064695727 /nfs/dbraw/zinc/69/57/27/1064695727.db2.gz GVVCNFUCXUGZHG-PMACEKPBSA-N 0 0 485.629 4.672 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)c2cn3c(Br)cnc3s2)c1 ZINC001435322572 1064695925 /nfs/dbraw/zinc/69/59/25/1064695925.db2.gz GTRWECMFYSIOIE-UHFFFAOYSA-N 0 0 459.163 4.960 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc3c(C)nn(C)c3s2)cc1OC ZINC001435322207 1064695964 /nfs/dbraw/zinc/69/59/64/1064695964.db2.gz DCPPCZMJRHKNFM-UHFFFAOYSA-N 0 0 455.605 4.907 20 0 JJADRN CC(C)CCn1c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359947524 1064696390 /nfs/dbraw/zinc/69/63/90/1064696390.db2.gz NMSDUCDAFVUMIQ-DPZBCOQUSA-N 0 0 470.658 4.969 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC001435323400 1064696561 /nfs/dbraw/zinc/69/65/61/1064696561.db2.gz ILPXZJMCVVUENW-UHFFFAOYSA-N 0 0 456.789 4.752 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(OC)c(OC)cc2C)cc1OC ZINC001435323597 1064696586 /nfs/dbraw/zinc/69/65/86/1064696586.db2.gz KHEQSLIJPYAVKN-UHFFFAOYSA-N 0 0 455.576 4.976 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)n1 ZINC001359947542 1064697181 /nfs/dbraw/zinc/69/71/81/1064697181.db2.gz ACINOOSGRZALCW-UHFFFAOYSA-N 0 0 459.506 4.908 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(Oc4nccs4)cc3)cc2)C1 ZINC001435325061 1064697179 /nfs/dbraw/zinc/69/71/79/1064697179.db2.gz VCPUQPSTKMEWOU-INIZCTEOSA-N 0 0 458.561 4.575 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC001359947547 1064697200 /nfs/dbraw/zinc/69/72/00/1064697200.db2.gz AHBPXWVJFLPXRZ-UHFFFAOYSA-N 0 0 453.836 4.704 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)c3ccn(-c4ccc(F)cc4F)n3)CCCC2)cc1C ZINC001435327608 1064699373 /nfs/dbraw/zinc/69/93/73/1064699373.db2.gz AYHQKONPIIBHKA-UHFFFAOYSA-N 0 0 452.505 4.696 20 0 JJADRN CN1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c2cc(F)ccc21 ZINC001435329769 1064700714 /nfs/dbraw/zinc/70/07/14/1064700714.db2.gz ZPBJRBBMCKDYBV-UHFFFAOYSA-N 0 0 458.287 4.530 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)C1(CC)CC ZINC001435329374 1064700813 /nfs/dbraw/zinc/70/08/13/1064700813.db2.gz WVPJVFKGXMQCAI-PKTZIBPZSA-N 0 0 458.624 4.534 20 0 JJADRN CC(C)COc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435330437 1064701846 /nfs/dbraw/zinc/70/18/46/1064701846.db2.gz WOAZZUHBXPUOTB-DEOSSOPVSA-N 0 0 455.551 4.783 20 0 JJADRN Cc1ccc(NC(=O)C2(CNC(=O)c3csc(-c4ncccc4F)n3)CCCC2)cc1C ZINC001435330653 1064702275 /nfs/dbraw/zinc/70/22/75/1064702275.db2.gz ZSTZYGZYGGEZHY-UHFFFAOYSA-N 0 0 452.555 4.890 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc(Cl)n1 ZINC001435330956 1064702794 /nfs/dbraw/zinc/70/27/94/1064702794.db2.gz UPBUKMZTSNEIOF-QFIPXVFZSA-N 0 0 456.995 4.955 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCC2(O)CCOCC2)cc1 ZINC001359950076 1064702990 /nfs/dbraw/zinc/70/29/90/1064702990.db2.gz DOUUJQDFDPHUFL-FGZHOGPDSA-N 0 0 470.658 4.926 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCOC(C)C)cc1 ZINC001359950014 1064703004 /nfs/dbraw/zinc/70/30/04/1064703004.db2.gz BXSUUORWHUQPOX-WIYYLYMNSA-N 0 0 484.563 4.951 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001359950074 1064703071 /nfs/dbraw/zinc/70/30/71/1064703071.db2.gz DNXWIFJFNFWOHB-WOJBJXKFSA-N 0 0 476.687 4.676 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCOC(C)C)cc1 ZINC001359950013 1064703136 /nfs/dbraw/zinc/70/31/36/1064703136.db2.gz BXSUUORWHUQPOX-RXVVDRJESA-N 0 0 484.563 4.951 20 0 JJADRN COc1ccc([C@H](C)CC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001435331704 1064703759 /nfs/dbraw/zinc/70/37/59/1064703759.db2.gz GAVULKAMRKSGRR-NIYFSFCBSA-N 0 0 451.588 4.807 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)CC3CCOCC3)n2C[C@@]2(C)CCCO2)cc1 ZINC001359950106 1064703685 /nfs/dbraw/zinc/70/36/85/1064703685.db2.gz FBAOAKAAUQSXBQ-AREMUKBSSA-N 0 0 456.631 4.802 20 0 JJADRN CCC(CC)(CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Cl)cc1 ZINC001359950198 1064704247 /nfs/dbraw/zinc/70/42/47/1064704247.db2.gz CGOLFEURSBRDPC-UHFFFAOYSA-N 0 0 456.995 4.876 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(F)cn2)cc1 ZINC001359950341 1064704923 /nfs/dbraw/zinc/70/49/23/1064704923.db2.gz IEMNOFJAFHAOSG-KDURUIRLSA-N 0 0 453.562 4.566 20 0 JJADRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3c(Cl)cc(F)cc3Br)ccc2NC1=O ZINC001435333641 1064705401 /nfs/dbraw/zinc/70/54/01/1064705401.db2.gz PYWOUEGKCZBOJP-PSLIRLAXSA-N 0 0 455.711 4.842 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001359950528 1064705353 /nfs/dbraw/zinc/70/53/53/1064705353.db2.gz KDXXVIJGLWLVAE-HSZRJFAPSA-N 0 0 464.614 4.612 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CC(=O)NCC2CC2)cc1 ZINC001359950481 1064705404 /nfs/dbraw/zinc/70/54/04/1064705404.db2.gz JJJFXLDSWGWARX-UXHICEINSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CC(=O)NCC2CC2)cc1 ZINC001359950484 1064705418 /nfs/dbraw/zinc/70/54/18/1064705418.db2.gz JJJFXLDSWGWARX-VQTJNVASSA-N 0 0 453.631 4.521 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C3CCC3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001359950613 1064706114 /nfs/dbraw/zinc/70/61/14/1064706114.db2.gz KZICTCQQFMRSBP-UHFFFAOYSA-N 0 0 457.619 4.883 20 0 JJADRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c(F)cccc1I ZINC001435334932 1064706374 /nfs/dbraw/zinc/70/63/74/1064706374.db2.gz TUXDULMDNIUENH-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN CC1(C)[C@H](NC(=O)CCCCCc2ccc(I)cc2)[C@@H]2CCCO[C@@H]21 ZINC001435334603 1064706434 /nfs/dbraw/zinc/70/64/34/1064706434.db2.gz VJYWJBKKBRLBCN-SXLOBPIMSA-N 0 0 455.380 4.714 20 0 JJADRN CC1(C)[C@H](NC(=O)CCCCCc2ccc(I)cc2)[C@@H]2CCCO[C@H]21 ZINC001435334589 1064706468 /nfs/dbraw/zinc/70/64/68/1064706468.db2.gz VJYWJBKKBRLBCN-DFQSSKMNSA-N 0 0 455.380 4.714 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 ZINC001435335075 1064706543 /nfs/dbraw/zinc/70/65/43/1064706543.db2.gz VMTBTUVJGRQZHC-QGZVFWFLSA-N 0 0 450.535 4.727 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCCOC2)cc1 ZINC001359950772 1064706569 /nfs/dbraw/zinc/70/65/69/1064706569.db2.gz NSTARPUBCQERDY-IBGZPJMESA-N 0 0 455.628 4.890 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(I)c(Br)c1 ZINC001435335807 1064706862 /nfs/dbraw/zinc/70/68/62/1064706862.db2.gz HGJUHZPQPPZLDX-WBVHZDCISA-N 0 0 456.121 4.514 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(I)c(Br)c1 ZINC001435335806 1064706934 /nfs/dbraw/zinc/70/69/34/1064706934.db2.gz HGJUHZPQPPZLDX-RDJZCZTQSA-N 0 0 456.121 4.514 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(F)(F)F ZINC001435335581 1064706943 /nfs/dbraw/zinc/70/69/43/1064706943.db2.gz QRZBAXPXZMKSKZ-BULFRSBZSA-N 0 0 450.457 4.758 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1nc(C)n(-c2ccccc2)n1)C(F)(F)F ZINC001435335640 1064707046 /nfs/dbraw/zinc/70/70/46/1064707046.db2.gz QXNMXDFAMDSKKZ-HXUWFJFHSA-N 0 0 455.440 4.839 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2COCCO2)cc1 ZINC001359950867 1064707048 /nfs/dbraw/zinc/70/70/48/1064707048.db2.gz PJGOLWRZMLOENK-GGAORHGYSA-N 0 0 456.631 4.658 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001359950878 1064707236 /nfs/dbraw/zinc/70/72/36/1064707236.db2.gz POHHNFXZWJEDTO-QFIPXVFZSA-N 0 0 465.598 4.514 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001359951155 1064708017 /nfs/dbraw/zinc/70/80/17/1064708017.db2.gz SUPBVRYUMQIDGG-FYYLOGMGSA-N 0 0 488.698 4.677 20 0 JJADRN CN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccc(Br)nc1 ZINC001435336924 1064708014 /nfs/dbraw/zinc/70/80/14/1064708014.db2.gz XWLWFPQKEDDETI-KRWDZBQOSA-N 0 0 452.352 4.513 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001359951216 1064708774 /nfs/dbraw/zinc/70/87/74/1064708774.db2.gz UGILBFZETVVXND-FCHUYYIVSA-N 0 0 486.682 4.597 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)Cc2cccs2)cc1 ZINC001359951238 1064709288 /nfs/dbraw/zinc/70/92/88/1064709288.db2.gz UQHPPFJIBRJVBR-SFTDATJTSA-N 0 0 495.693 4.977 20 0 JJADRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCNC(=O)c2cc(F)ccc2Br)o1 ZINC001435341828 1064710519 /nfs/dbraw/zinc/71/05/19/1064710519.db2.gz LIYJITMLQJKWGM-FZKQIMNGSA-N 0 0 451.336 4.609 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC3(C)C)n2CCN2CCOCC2(C)C)cc1 ZINC001359951655 1064710691 /nfs/dbraw/zinc/71/06/91/1064710691.db2.gz AWHUOIDWEUKFFO-UHFFFAOYSA-N 0 0 469.674 4.860 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC=CO2)cc1 ZINC001359951700 1064710825 /nfs/dbraw/zinc/71/08/25/1064710825.db2.gz CIVGXEWODUVBOC-ILBGXUMGSA-N 0 0 495.668 4.804 20 0 JJADRN CCc1cnc(CCNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)s1 ZINC001435342096 1064711025 /nfs/dbraw/zinc/71/10/25/1064711025.db2.gz RHUXVDREBIYLIE-UHFFFAOYSA-N 0 0 459.413 4.505 20 0 JJADRN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001435342237 1064711257 /nfs/dbraw/zinc/71/12/57/1064711257.db2.gz SXOQXASLNCKQRV-HSZRJFAPSA-N 0 0 451.954 4.781 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC4(C3)CCCCC4)n2CCCS(C)(=O)=O)cc1 ZINC001359951780 1064711186 /nfs/dbraw/zinc/71/11/86/1064711186.db2.gz FSEMAHDBSSDCQN-UHFFFAOYSA-N 0 0 488.698 4.965 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2Cc2ccn(C)n2)cc1 ZINC001359951745 1064711338 /nfs/dbraw/zinc/71/13/38/1064711338.db2.gz DWOFNRLQXATGBN-DEOSSOPVSA-N 0 0 480.657 4.936 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCOCC3)n2CCSC(F)(F)F)cc1 ZINC001359951765 1064711360 /nfs/dbraw/zinc/71/13/60/1064711360.db2.gz FMUPUVZJNPIDFD-UHFFFAOYSA-N 0 0 458.550 4.850 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCCC2(C)C)cc1 ZINC001359951926 1064712347 /nfs/dbraw/zinc/71/23/47/1064712347.db2.gz JOOXQUHEIYQFOS-QFIPXVFZSA-N 0 0 467.658 4.898 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCNC(=O)C(C)(C)C)cc1 ZINC001359951990 1064712392 /nfs/dbraw/zinc/71/23/92/1064712392.db2.gz KVERCWMGQQSGKU-PMACEKPBSA-N 0 0 455.647 4.767 20 0 JJADRN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001435345246 1064713313 /nfs/dbraw/zinc/71/33/13/1064713313.db2.gz JWJKJZUQMGADRT-KDOFPFPSSA-N 0 0 450.988 4.766 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)/C=C\Sc2ccccc2)c2cc(F)ccc2F)c1 ZINC001435345101 1064713326 /nfs/dbraw/zinc/71/33/26/1064713326.db2.gz GZOAINZLPSJEQC-FRHQNKJESA-N 0 0 459.539 4.880 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC(C4CCCC4)CC3)c2)cc1 ZINC001435345383 1064713424 /nfs/dbraw/zinc/71/34/24/1064713424.db2.gz LMIGLJPLYLDMIS-UHFFFAOYSA-N 0 0 456.608 4.563 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@@H](C)N2CCOCC2)cc1 ZINC001359952142 1064713658 /nfs/dbraw/zinc/71/36/58/1064713658.db2.gz NVKVANRFTOYKIS-RJGXRXQPSA-N 0 0 469.674 4.573 20 0 JJADRN COc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1I ZINC001435345688 1064714119 /nfs/dbraw/zinc/71/41/19/1064714119.db2.gz KFMCBCXXCPITPZ-AWEZNQCLSA-N 0 0 453.345 4.554 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952286 1064714536 /nfs/dbraw/zinc/71/45/36/1064714536.db2.gz RNRWODNJRDQQPV-RXVVDRJESA-N 0 0 493.574 4.817 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2CCC(F)(F)CC2)cc1 ZINC001359952265 1064714634 /nfs/dbraw/zinc/71/46/34/1064714634.db2.gz RBCRFHOLNTXLON-OAQYLSRUSA-N 0 0 489.611 4.897 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H]4CCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 ZINC001359952287 1064714771 /nfs/dbraw/zinc/71/47/71/1064714771.db2.gz RNRWODNJRDQQPV-WIYYLYMNSA-N 0 0 493.574 4.817 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(Br)cc3cccnc32)n1 ZINC001435348513 1064714944 /nfs/dbraw/zinc/71/49/44/1064714944.db2.gz FYPFDFJEKIARIS-GFCCVEGCSA-N 0 0 453.296 4.547 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C)N2CCOCC2)cc1 ZINC001359952456 1064715002 /nfs/dbraw/zinc/71/50/02/1064715002.db2.gz WLPSQFJZRXLRAM-RBBKRZOGSA-N 0 0 491.627 4.572 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001359952359 1064715174 /nfs/dbraw/zinc/71/51/74/1064715174.db2.gz UFUAHZOKNLDRTQ-XXAUWVGASA-N 0 0 470.658 4.782 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001545890396 1064715542 /nfs/dbraw/zinc/71/55/42/1064715542.db2.gz ZZEKQOXSGROFIR-XMMPIXPASA-N 0 0 460.626 4.594 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCCCC2(F)F)cc1 ZINC001359952638 1064715629 /nfs/dbraw/zinc/71/56/29/1064715629.db2.gz YLMAMHYUVXNQBE-LEWJYISDSA-N 0 0 489.611 4.897 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2C[C@H]2C)cc1 ZINC001359952498 1064715651 /nfs/dbraw/zinc/71/56/51/1064715651.db2.gz XETRSLJEGPPHKU-NFBKMPQASA-N 0 0 467.658 4.721 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)C12CCCC2 ZINC001435349384 1064716018 /nfs/dbraw/zinc/71/60/18/1064716018.db2.gz KUYITCHAFPADEX-VXKWHMMOSA-N 0 0 459.633 4.709 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCCC[C@H](C)C3)n2CCCN2CCOC2=O)cc1 ZINC001359952641 1064716444 /nfs/dbraw/zinc/71/64/44/1064716444.db2.gz YPGKAWIMRLOBBD-NRFANRHFSA-N 0 0 469.630 4.839 20 0 JJADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)CSCc2coc(-c3ccccc3)n2)n1 ZINC001435349945 1064716575 /nfs/dbraw/zinc/71/65/75/1064716575.db2.gz RGOCKFWCKNADKK-OAHLLOKOSA-N 0 0 450.520 4.511 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C12CCCC2 ZINC001435350500 1064716667 /nfs/dbraw/zinc/71/66/67/1064716667.db2.gz RTSRAYSMGJVOJZ-ROUUACIJSA-N 0 0 459.940 4.824 20 0 JJADRN CC(C)COc1ccc(CCNC(=O)c2cnn(Cc3ccccc3)c2Br)cc1 ZINC001359952833 1064716696 /nfs/dbraw/zinc/71/66/96/1064716696.db2.gz JMDKNCLPSHRUAO-UHFFFAOYSA-N 0 0 456.384 4.701 20 0 JJADRN CC(C)C[C@H]1CCN(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC001435350798 1064716883 /nfs/dbraw/zinc/71/68/83/1064716883.db2.gz KRTMLXNPQGNQAE-OAHLLOKOSA-N 0 0 454.386 4.524 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1NC(=O)CC(C)C ZINC001359953108 1064716908 /nfs/dbraw/zinc/71/69/08/1064716908.db2.gz CUITZAHOKZZITP-RUZDIDTESA-N 0 0 457.574 4.959 20 0 JJADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)/C(=C\c2ccccc2)C(F)(F)F)c1 ZINC001359952742 1064716950 /nfs/dbraw/zinc/71/69/50/1064716950.db2.gz GFLMWJOBEQHOJM-HYARGMPZSA-N 0 0 453.464 4.763 20 0 JJADRN CCOc1cc(Br)c(CC(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)cc1OCC ZINC001435351460 1064717317 /nfs/dbraw/zinc/71/73/17/1064717317.db2.gz UQBOAKLLEMFFAN-UXHICEINSA-N 0 0 454.405 4.643 20 0 JJADRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001359953746 1064717333 /nfs/dbraw/zinc/71/73/33/1064717333.db2.gz SZRAUAPKQZDVQI-QHCPKHFHSA-N 0 0 459.933 4.904 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001359953984 1064717807 /nfs/dbraw/zinc/71/78/07/1064717807.db2.gz BHORWOUENURGME-URXFXBBRSA-N 0 0 455.647 4.823 20 0 JJADRN CN(C)CC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC001435352628 1064718541 /nfs/dbraw/zinc/71/85/41/1064718541.db2.gz PSPYUIKKVBWYAG-UHFFFAOYSA-N 0 0 451.954 4.600 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001359954079 1064718422 /nfs/dbraw/zinc/71/84/22/1064718422.db2.gz BEDFEVWBOMLOLU-SFTDATJTSA-N 0 0 496.574 4.953 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1 ZINC001435353825 1064718822 /nfs/dbraw/zinc/71/88/22/1064718822.db2.gz XZTIHMKVBHQMLG-QGZVFWFLSA-N 0 0 453.308 4.801 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(Nc3cnn([C@H]4CC4(F)F)c3)n2CC(C)(C)O)cc1 ZINC001359954220 1064718928 /nfs/dbraw/zinc/71/89/28/1064718928.db2.gz GUXJHFZYKNYDOU-IBGZPJMESA-N 0 0 460.529 4.661 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001359954225 1064719061 /nfs/dbraw/zinc/71/90/61/1064719061.db2.gz CVMYYMPDQCWSEZ-CEYBMKEASA-N 0 0 470.658 4.638 20 0 JJADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001435353512 1064718976 /nfs/dbraw/zinc/71/89/76/1064718976.db2.gz ZWOIRQKDCDURDE-GFCCVEGCSA-N 0 0 458.367 4.647 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1 ZINC001435354567 1064719422 /nfs/dbraw/zinc/71/94/22/1064719422.db2.gz CZTKMCFFUFINPT-UHFFFAOYSA-N 0 0 452.551 4.772 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC001435354050 1064719486 /nfs/dbraw/zinc/71/94/86/1064719486.db2.gz PQMZCJVPROQMBT-SFHVURJKSA-N 0 0 452.580 4.682 20 0 JJADRN CCc1ccc(N2CCN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CC2)cc1 ZINC001435356304 1064720435 /nfs/dbraw/zinc/72/04/35/1064720435.db2.gz VQSWUWLENRVVET-UHFFFAOYSA-N 0 0 456.011 4.829 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)c(-n4cccc4)cc3OC)n2)c1 ZINC001435356396 1064720450 /nfs/dbraw/zinc/72/04/50/1064720450.db2.gz HQYZENXRKKYOOU-CQSZACIVSA-N 0 0 452.898 4.689 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CC(=O)NC2CCCCC2)cc1 ZINC001359954653 1064720495 /nfs/dbraw/zinc/72/04/95/1064720495.db2.gz JOFYIHFXQFUNAU-HXUWFJFHSA-N 0 0 485.698 4.761 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001359954472 1064720510 /nfs/dbraw/zinc/72/05/10/1064720510.db2.gz HJXDPPSXDLRUQU-UXHICEINSA-N 0 0 487.645 4.508 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001435356632 1064720960 /nfs/dbraw/zinc/72/09/60/1064720960.db2.gz KEOLYWWURMSSMN-LJQANCHMSA-N 0 0 454.523 4.622 20 0 JJADRN Cc1sc(=O)n(CC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1-c1ccccc1 ZINC001435357053 1064721104 /nfs/dbraw/zinc/72/11/04/1064721104.db2.gz MSXADCDEAOTLOH-UHFFFAOYSA-N 0 0 454.548 4.862 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001359954684 1064721099 /nfs/dbraw/zinc/72/10/99/1064721099.db2.gz KLEKJHJDAYQDSY-URVUXULASA-N 0 0 458.672 4.984 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCC2(C)C)cc1 ZINC001359954831 1064721811 /nfs/dbraw/zinc/72/18/11/1064721811.db2.gz LXSWPUGCCNPCMS-OAQYLSRUSA-N 0 0 453.631 4.523 20 0 JJADRN Cn1cc(Br)c(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)n1 ZINC001435357867 1064721977 /nfs/dbraw/zinc/72/19/77/1064721977.db2.gz AULDFSSWXKLSAX-UHFFFAOYSA-N 0 0 455.194 4.577 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001359954868 1064722037 /nfs/dbraw/zinc/72/20/37/1064722037.db2.gz RSRLFQAPUUUYLH-UHFFFAOYSA-N 0 0 495.590 4.709 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)c1 ZINC001435357745 1064722121 /nfs/dbraw/zinc/72/21/21/1064722121.db2.gz WIYAYAFKBCIKCP-AWEZNQCLSA-N 0 0 452.898 4.864 20 0 JJADRN CC[C@@H](C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001435359441 1064723304 /nfs/dbraw/zinc/72/33/04/1064723304.db2.gz AHIPLWSOLKJYHU-PXAZEXFGSA-N 0 0 459.337 4.789 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CC2(O)CCC2)cc1 ZINC001359955167 1064723242 /nfs/dbraw/zinc/72/32/42/1064723242.db2.gz RJAUVZXUZWRHFE-QFIPXVFZSA-N 0 0 458.672 4.863 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)/C=C\c1ccsc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC001435359670 1064723699 /nfs/dbraw/zinc/72/36/99/1064723699.db2.gz BNIISTSRMGOBEE-DAXSKMNVSA-N 0 0 455.454 4.884 20 0 JJADRN C[C@@H](C(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F)n1nnc(-c2ccccc2)n1 ZINC001435362986 1064724654 /nfs/dbraw/zinc/72/46/54/1064724654.db2.gz VIWNOFGGTFEQAF-NHYWBVRUSA-N 0 0 455.234 4.510 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)sc1Br ZINC001359956825 1064724974 /nfs/dbraw/zinc/72/49/74/1064724974.db2.gz ABCHURLVRYNXHK-HNNXBMFYSA-N 0 0 457.821 4.957 20 0 JJADRN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2C[C@H]2C)cc1 ZINC001359955579 1064725221 /nfs/dbraw/zinc/72/52/21/1064725221.db2.gz YCMRTFIZSFTUKQ-GGAORHGYSA-N 0 0 483.657 4.941 20 0 JJADRN COCCN(CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C ZINC001435364762 1064725733 /nfs/dbraw/zinc/72/57/33/1064725733.db2.gz SVKRMRQPFOWBAH-OAHLLOKOSA-N 0 0 459.383 4.736 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001359957891 1064726359 /nfs/dbraw/zinc/72/63/59/1064726359.db2.gz GKTMALHVFNMJLZ-YKSBVNFPSA-N 0 0 456.631 4.653 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC2)CC1 ZINC001359957910 1064726410 /nfs/dbraw/zinc/72/64/10/1064726410.db2.gz HAJYZZPFYRPFLC-UHFFFAOYSA-N 0 0 475.678 4.834 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCC(=O)NCC2(C)CCC2)n1-c1ccccc1 ZINC001435368622 1064727232 /nfs/dbraw/zinc/72/72/32/1064727232.db2.gz HWXKNGFVZUWDEW-UHFFFAOYSA-N 0 0 450.608 4.862 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001359958231 1064727354 /nfs/dbraw/zinc/72/73/54/1064727354.db2.gz POLNERDKAQBDAT-OAQYLSRUSA-N 0 0 493.574 4.522 20 0 JJADRN COc1ccc(C(=O)OCc2cccc(OC(F)(F)F)c2)c(I)c1 ZINC001435369514 1064727648 /nfs/dbraw/zinc/72/76/48/1064727648.db2.gz GAENJZHCJGIBQP-UHFFFAOYSA-N 0 0 452.166 4.555 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)C)CC1 ZINC001359958422 1064727810 /nfs/dbraw/zinc/72/78/10/1064727810.db2.gz VTGIBACJRLQZTD-UHFFFAOYSA-N 0 0 469.678 4.530 20 0 JJADRN Cc1cc(C)c(C(=O)Nc2ccc(I)c(C)n2)c(C)c1Br ZINC001435374162 1064728587 /nfs/dbraw/zinc/72/85/87/1064728587.db2.gz YGELZEITGPOZBU-UHFFFAOYSA-N 0 0 459.125 4.935 20 0 JJADRN CC(C)CCOC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)CC1 ZINC001359958586 1064728905 /nfs/dbraw/zinc/72/89/05/1064728905.db2.gz AFNMJRCKOLJMIW-QFIPXVFZSA-N 0 0 493.693 4.807 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001359958672 1064729139 /nfs/dbraw/zinc/72/91/39/1064729139.db2.gz DJQJZROFWXOPCA-JOCHJYFZSA-N 0 0 450.052 4.780 20 0 JJADRN Cc1cc(C(F)(F)F)nc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)n1 ZINC001435374625 1064729196 /nfs/dbraw/zinc/72/91/96/1064729196.db2.gz BCOLULIIMORHKW-MRXNPFEDSA-N 0 0 454.452 4.776 20 0 JJADRN CC(C)CCOCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001359958647 1064729251 /nfs/dbraw/zinc/72/92/51/1064729251.db2.gz CRXZOJBNZXMWSC-MRXNPFEDSA-N 0 0 488.421 4.980 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](C)C2)CC1 ZINC001359959215 1064730621 /nfs/dbraw/zinc/73/06/21/1064730621.db2.gz VCXNEUZUKZKWOL-UXHICEINSA-N 0 0 473.687 4.737 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001359959309 1064731220 /nfs/dbraw/zinc/73/12/20/1064731220.db2.gz XHEWXEVEAVNANN-UHFFFAOYSA-N 0 0 473.706 4.835 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@H](c3c(C)nn(C)c3C)C(F)(F)F)c12 ZINC001435380801 1064731276 /nfs/dbraw/zinc/73/12/76/1064731276.db2.gz RAOQKOJEFVALIX-HXUWFJFHSA-N 0 0 457.456 4.890 20 0 JJADRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)c12 ZINC001435380800 1064731393 /nfs/dbraw/zinc/73/13/93/1064731393.db2.gz RAOQKOJEFVALIX-FQEVSTJZSA-N 0 0 457.456 4.890 20 0 JJADRN CC(C)CCOC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001359959355 1064731637 /nfs/dbraw/zinc/73/16/37/1064731637.db2.gz YYGAADXBOXZLGS-IRLDBZIGSA-N 0 0 474.621 4.579 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC001359959653 1064731650 /nfs/dbraw/zinc/73/16/50/1064731650.db2.gz LCAOQSHCWFUNLK-UHFFFAOYSA-N 0 0 459.924 4.890 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001359959335 1064731678 /nfs/dbraw/zinc/73/16/78/1064731678.db2.gz XWWCLRAZXBVVSQ-LJQANCHMSA-N 0 0 495.039 4.965 20 0 JJADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC001359959569 1064731684 /nfs/dbraw/zinc/73/16/84/1064731684.db2.gz GYEXZGUCNNOYKT-IBGZPJMESA-N 0 0 456.505 4.613 20 0 JJADRN O=C(CSc1ccccc1C(=O)N1CCc2c(F)ccc(F)c2C1)NCC1CCCCC1 ZINC001435383096 1064731677 /nfs/dbraw/zinc/73/16/77/1064731677.db2.gz ASGCTEWLZWNFKO-UHFFFAOYSA-N 0 0 458.574 4.952 20 0 JJADRN CC(=O)N1Cc2ccc(NC(=O)c3nc(C(C)C)n(-c4c(Cl)cccc4Cl)n3)cc2C1 ZINC001435381402 1064731908 /nfs/dbraw/zinc/73/19/08/1064731908.db2.gz AIDJPNQBCMBZLB-UHFFFAOYSA-N 0 0 458.349 4.812 20 0 JJADRN C[C@H]1[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC001359960435 1064732139 /nfs/dbraw/zinc/73/21/39/1064732139.db2.gz RAHYBUWBONAYQQ-OXJNMPFZSA-N 0 0 456.514 4.733 20 0 JJADRN CC(C)CCOCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001359960528 1064732749 /nfs/dbraw/zinc/73/27/49/1064732749.db2.gz ABVAFDPDBWDKGN-UHFFFAOYSA-N 0 0 467.658 4.741 20 0 JJADRN CC(C)CCOCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001359961050 1064733143 /nfs/dbraw/zinc/73/31/43/1064733143.db2.gz LYXUHTKQZYRPGY-NRFANRHFSA-N 0 0 466.605 4.647 20 0 JJADRN C[C@@H](CC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001435385177 1064733276 /nfs/dbraw/zinc/73/32/76/1064733276.db2.gz JIQOQGGUQWLBRC-HNAYVOBHSA-N 0 0 457.489 4.554 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001435386197 1064733790 /nfs/dbraw/zinc/73/37/90/1064733790.db2.gz ZWMUCPRQJMDLLU-CYBMUJFWSA-N 0 0 454.784 4.605 20 0 JJADRN O=C(OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001435386198 1064733864 /nfs/dbraw/zinc/73/38/64/1064733864.db2.gz ZWMUCPRQJMDLLU-ZDUSSCGKSA-N 0 0 454.784 4.605 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001359961662 1064734223 /nfs/dbraw/zinc/73/42/23/1064734223.db2.gz AZJWQOGQSRNZMO-MYGLTJDJSA-N 0 0 477.694 4.984 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001359961661 1064734457 /nfs/dbraw/zinc/73/44/57/1064734457.db2.gz AZJWQOGQSRNZMO-MBDNFAEBSA-N 0 0 477.694 4.984 20 0 JJADRN CCOc1ccc([C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC001435386930 1064734358 /nfs/dbraw/zinc/73/43/58/1064734358.db2.gz OBBREFPKEWOMTL-SFHVURJKSA-N 0 0 451.544 4.755 20 0 JJADRN COc1ccc(/C=C\C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC ZINC001435386606 1064734450 /nfs/dbraw/zinc/73/44/50/1064734450.db2.gz QXOSSDWEISDXNK-HZMYXVCSSA-N 0 0 456.542 4.933 20 0 JJADRN CC(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001359961783 1064734803 /nfs/dbraw/zinc/73/48/03/1064734803.db2.gz FEGOQRBIEDOLKY-FQEVSTJZSA-N 0 0 488.702 4.541 20 0 JJADRN CC(C)CCOCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001359961739 1064734958 /nfs/dbraw/zinc/73/49/58/1064734958.db2.gz DHZCHDWGGVBFLN-MHZLTWQESA-N 0 0 454.659 4.998 20 0 JJADRN CO[C@@H](C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1)c1cnn(C)c1 ZINC001435387429 1064734991 /nfs/dbraw/zinc/73/49/91/1064734991.db2.gz SBNSNVSHVFPXGB-GOSISDBHSA-N 0 0 450.720 4.955 20 0 JJADRN CC(C)CCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001359962161 1064735528 /nfs/dbraw/zinc/73/55/28/1064735528.db2.gz PNGSIXHJITXJKW-PLACYPQZSA-N 0 0 452.709 4.980 20 0 JJADRN COc1ccc(-c2nc(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)cs2)cc1OC ZINC001435389332 1064735548 /nfs/dbraw/zinc/73/55/48/1064735548.db2.gz YGNPJTWAPMAALV-SSEXGKCCSA-N 0 0 456.467 4.707 20 0 JJADRN CC(C)CCOCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001359962221 1064735826 /nfs/dbraw/zinc/73/58/26/1064735826.db2.gz RIWVYMWHQDZEDB-MYGLTJDJSA-N 0 0 477.694 4.984 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001359963764 1064736319 /nfs/dbraw/zinc/73/63/19/1064736319.db2.gz AJJYVBLDLCPTJA-UHFFFAOYSA-N 0 0 454.800 4.545 20 0 JJADRN COc1ccc(COC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1SC(F)(F)F ZINC001435392613 1064736722 /nfs/dbraw/zinc/73/67/22/1064736722.db2.gz KOCULAISDKAVOJ-UHFFFAOYSA-N 0 0 454.392 4.755 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(C1)CCCCCC2 ZINC001359963898 1064736776 /nfs/dbraw/zinc/73/67/76/1064736776.db2.gz FDEHMJDZMVJHTG-UHFFFAOYSA-N 0 0 462.038 4.986 20 0 JJADRN CC(C)CCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(F)F)CC1 ZINC001359963933 1064736927 /nfs/dbraw/zinc/73/69/27/1064736927.db2.gz FXWNSOWDARQRBE-SFHVURJKSA-N 0 0 481.657 4.581 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001359964067 1064737281 /nfs/dbraw/zinc/73/72/81/1064737281.db2.gz JRBBVRBDHQHTMN-INIZCTEOSA-N 0 0 483.426 4.913 20 0 JJADRN CC(C)CCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001359964068 1064737376 /nfs/dbraw/zinc/73/73/76/1064737376.db2.gz JRBBVRBDHQHTMN-MRXNPFEDSA-N 0 0 483.426 4.913 20 0 JJADRN CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001359964008 1064737514 /nfs/dbraw/zinc/73/75/14/1064737514.db2.gz IIRKOQXEMFWPKI-LJQANCHMSA-N 0 0 488.995 4.638 20 0 JJADRN CC(C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001359964211 1064737853 /nfs/dbraw/zinc/73/78/53/1064737853.db2.gz OBTBLJZDZBIJQG-IBGZPJMESA-N 0 0 452.477 4.522 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(F)cc2I)nn1-c1ccccc1Cl ZINC001435395590 1064738148 /nfs/dbraw/zinc/73/81/48/1064738148.db2.gz LUMIJBRRZWLOAH-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC(C)(C(=O)Nc1ccc(F)cc1I)c1cccc(C(F)(F)F)n1 ZINC001435396262 1064738292 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JJADRN CCc1ccc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1S(C)(=O)=O ZINC001435399013 1064739755 /nfs/dbraw/zinc/73/97/55/1064739755.db2.gz GPTSKMQADDUXSR-KRWDZBQOSA-N 0 0 456.391 4.643 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)Oc1ccccc1C(F)(F)F ZINC001435398947 1064739868 /nfs/dbraw/zinc/73/98/68/1064739868.db2.gz FHONUKGRHGKLDX-DZGCQCFKSA-N 0 0 458.274 4.918 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)C1(CC)CC ZINC001435399359 1064739910 /nfs/dbraw/zinc/73/99/10/1064739910.db2.gz BDMXMLQISSYSOB-MYSJAJEPSA-N 0 0 458.643 4.911 20 0 JJADRN CC(C)CCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC(C)(C)C1 ZINC001359964779 1064739777 /nfs/dbraw/zinc/73/97/77/1064739777.db2.gz GFMNVRMGLFBYEL-UHFFFAOYSA-N 0 0 480.657 4.925 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1nn(C(C)C)cc1Br)C[C@@H](C)O2 ZINC001435400284 1064740176 /nfs/dbraw/zinc/74/01/76/1064740176.db2.gz AUFYFLZUPXICQN-LLVKDONJSA-N 0 0 457.166 4.725 20 0 JJADRN CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001359965205 1064740424 /nfs/dbraw/zinc/74/04/24/1064740424.db2.gz UVHPYJWNVXSHPE-QFIPXVFZSA-N 0 0 473.980 4.773 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1C(F)F ZINC001435402396 1064741221 /nfs/dbraw/zinc/74/12/21/1064741221.db2.gz AGTMBQACDSFTSC-HXUWFJFHSA-N 0 0 455.896 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)C1 ZINC001359966221 1064741574 /nfs/dbraw/zinc/74/15/74/1064741574.db2.gz NPZITTZKUDVBHY-FOIQADDNSA-N 0 0 456.493 4.903 20 0 JJADRN COC[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001435404411 1064741580 /nfs/dbraw/zinc/74/15/80/1064741580.db2.gz QMIZFWFQWCQITP-SANMLTNESA-N 0 0 459.586 4.688 20 0 JJADRN CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001359966756 1064742085 /nfs/dbraw/zinc/74/20/85/1064742085.db2.gz DPOCABYBOLGGOT-RPWUZVMVSA-N 0 0 474.621 4.672 20 0 JJADRN CC(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001359966755 1064742283 /nfs/dbraw/zinc/74/22/83/1064742283.db2.gz DPOCABYBOLGGOT-DNQXCXABSA-N 0 0 474.621 4.672 20 0 JJADRN COC[C@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 ZINC001435407347 1064742637 /nfs/dbraw/zinc/74/26/37/1064742637.db2.gz YEIYDFBHPAURME-KRWDZBQOSA-N 0 0 453.589 4.873 20 0 JJADRN CC(C)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 ZINC001359967451 1064742754 /nfs/dbraw/zinc/74/27/54/1064742754.db2.gz SIQFHMZEQDCNIM-UHFFFAOYSA-N 0 0 475.678 4.836 20 0 JJADRN CC[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)Oc1cccc(F)c1 ZINC001435406503 1064742651 /nfs/dbraw/zinc/74/26/51/1064742651.db2.gz WILPFBIZPVZTMX-INIZCTEOSA-N 0 0 450.283 4.500 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1cnc(OCc3ccccc3)cn1)C[C@@H](C)O2 ZINC001435406312 1064742708 /nfs/dbraw/zinc/74/27/08/1064742708.db2.gz QUCZURAWNCXJJD-OAHLLOKOSA-N 0 0 454.324 4.554 20 0 JJADRN CC[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)Oc1ccccc1F ZINC001435406927 1064742799 /nfs/dbraw/zinc/74/27/99/1064742799.db2.gz JRULEJLTAXVDRV-DYCGKXRFSA-N 0 0 458.961 4.847 20 0 JJADRN CCCC[C@H](CCC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001435408604 1064743337 /nfs/dbraw/zinc/74/33/37/1064743337.db2.gz XZVSAZKSWDZXAB-IHPCNDPISA-N 0 0 458.462 4.518 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H](CC)Oc3ccccc3Cl)cc2)c1C ZINC001435410062 1064743663 /nfs/dbraw/zinc/74/36/63/1064743663.db2.gz DUSKSJZZLJSYGN-LJQANCHMSA-N 0 0 455.942 4.598 20 0 JJADRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(Br)cc1I ZINC001435410419 1064743858 /nfs/dbraw/zinc/74/38/58/1064743858.db2.gz YIYQXIBXGCMIRP-HZMBPMFUSA-N 0 0 450.158 4.998 20 0 JJADRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001435411031 1064744342 /nfs/dbraw/zinc/74/43/42/1064744342.db2.gz KZVNTLNXOPIFKY-UHFFFAOYSA-N 0 0 451.401 4.860 20 0 JJADRN CC(C)CCOCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001359968420 1064744343 /nfs/dbraw/zinc/74/43/43/1064744343.db2.gz VVESUXPYAAVKKA-SFHVURJKSA-N 0 0 495.462 4.686 20 0 JJADRN Cc1cc(=O)c(C(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)c[nH]1 ZINC001435412263 1064744729 /nfs/dbraw/zinc/74/47/29/1064744729.db2.gz IADMXZSYXDPDCD-UHFFFAOYSA-N 0 0 457.715 4.895 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)Nc3nc(-c4cc(C)c(F)cc4F)cs3)c2C)cc1 ZINC001435412627 1064744802 /nfs/dbraw/zinc/74/48/02/1064744802.db2.gz WZPFOIRBLUAOGR-UHFFFAOYSA-N 0 0 455.490 4.606 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(C(F)(F)F)cc4c3OCC(=O)N4)c2)c1C ZINC001435412026 1064744888 /nfs/dbraw/zinc/74/48/88/1064744888.db2.gz ULWVEVVUMYSMHF-UHFFFAOYSA-N 0 0 458.440 4.654 20 0 JJADRN CC(C)CCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001359969990 1064745335 /nfs/dbraw/zinc/74/53/35/1064745335.db2.gz BNVSXTLBOUYAEP-HBMCJLEFSA-N 0 0 461.651 4.792 20 0 JJADRN CC(C)CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001359970453 1064746476 /nfs/dbraw/zinc/74/64/76/1064746476.db2.gz SFNJNBZRVGBNBE-FNAHDJPLSA-N 0 0 475.678 4.880 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1)Oc1ccccc1Br ZINC001435415551 1064746533 /nfs/dbraw/zinc/74/65/33/1064746533.db2.gz BPCBSKAOUOPQJH-GFCCVEGCSA-N 0 0 454.777 4.606 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC[C@H]1c1ccccc1 ZINC001435415330 1064746566 /nfs/dbraw/zinc/74/65/66/1064746566.db2.gz CXAZEPMAXUMTQF-WIOPSUGQSA-N 0 0 456.652 4.692 20 0 JJADRN CC(C)CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001359970454 1064746618 /nfs/dbraw/zinc/74/66/18/1064746618.db2.gz SFNJNBZRVGBNBE-KJJMTIBFSA-N 0 0 475.678 4.880 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001359970871 1064747071 /nfs/dbraw/zinc/74/70/71/1064747071.db2.gz HJRNEIVRRSHUGS-IBGZPJMESA-N 0 0 495.416 4.719 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001359970967 1064747219 /nfs/dbraw/zinc/74/72/19/1064747219.db2.gz JVUOXEOPLFOLKK-UHFFFAOYSA-N 0 0 488.434 4.706 20 0 JJADRN O=C(N1CCC(OCC2CCCC2)CC1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001435417785 1064747680 /nfs/dbraw/zinc/74/76/80/1064747680.db2.gz ZYLUDBUHJCMVOA-UHFFFAOYSA-N 0 0 451.604 4.500 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001435419075 1064748053 /nfs/dbraw/zinc/74/80/53/1064748053.db2.gz FPVAAFNCOXBXSE-UHFFFAOYSA-N 0 0 453.367 4.726 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCCCCC1=O ZINC001359971217 1064748260 /nfs/dbraw/zinc/74/82/60/1064748260.db2.gz PYBALJDZHYFVAE-UHFFFAOYSA-N 0 0 480.426 4.732 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC001359971645 1064748563 /nfs/dbraw/zinc/74/85/63/1064748563.db2.gz DCNFEVKZTBYJLK-UHFFFAOYSA-N 0 0 458.558 4.721 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)Cc3ccc(C(F)(F)F)cc3)cc2)c1C ZINC001359972192 1064748709 /nfs/dbraw/zinc/74/87/09/1064748709.db2.gz IPQSYFQVNDPURG-OAHLLOKOSA-N 0 0 459.468 4.737 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)nc21 ZINC001359972123 1064748757 /nfs/dbraw/zinc/74/87/57/1064748757.db2.gz PESRDZFLNFGUDT-SECBINFHSA-N 0 0 454.310 4.742 20 0 JJADRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001435419376 1064748688 /nfs/dbraw/zinc/74/86/88/1064748688.db2.gz JZPOWWKQEPPXJY-UHFFFAOYSA-N 0 0 450.445 4.950 20 0 JJADRN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2nc(C(C)(C)C)c(C(=O)OC)s2)CC1=O ZINC001435420108 1064748749 /nfs/dbraw/zinc/74/87/49/1064748749.db2.gz UHCIKKKHPMSUKP-HUUCEWRRSA-N 0 0 457.596 4.732 20 0 JJADRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1c(F)cccc1Cl ZINC001435421442 1064749076 /nfs/dbraw/zinc/74/90/76/1064749076.db2.gz CRVWPWOOHXTBPH-KGLIPLIRSA-N 0 0 454.876 4.810 20 0 JJADRN CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H](c1ccccc1)C(F)(F)F ZINC001359972411 1064749072 /nfs/dbraw/zinc/74/90/72/1064749072.db2.gz MYZFREPKMLPTRP-KBXCAEBGSA-N 0 0 455.274 4.564 20 0 JJADRN CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H](c1ccccc1)C(F)(F)F ZINC001359972413 1064749157 /nfs/dbraw/zinc/74/91/57/1064749157.db2.gz MYZFREPKMLPTRP-KSSFIOAISA-N 0 0 455.274 4.564 20 0 JJADRN CC[C@@H](CC(F)(F)F)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001435421780 1064749881 /nfs/dbraw/zinc/74/98/81/1064749881.db2.gz GQTFNIHFHKTKSI-LBPRGKRZSA-N 0 0 455.258 4.640 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC001435423602 1064750531 /nfs/dbraw/zinc/75/05/31/1064750531.db2.gz LLKTXXDZSCWGPF-RXVVDRJESA-N 0 0 454.998 4.681 20 0 JJADRN O=C(Nc1ccc(OC2CCC2)c(F)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001435423404 1064750560 /nfs/dbraw/zinc/75/05/60/1064750560.db2.gz NSYBMCXKAHCDRH-OAHLLOKOSA-N 0 0 450.432 4.763 20 0 JJADRN CC(C)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001359973592 1064751114 /nfs/dbraw/zinc/75/11/14/1064751114.db2.gz YFEKMBFEEJDYEW-IEBWSBKVSA-N 0 0 481.657 4.580 20 0 JJADRN CC(C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nccc(C(F)(F)F)n1 ZINC001359973978 1064751441 /nfs/dbraw/zinc/75/14/41/1064751441.db2.gz NEDIXQQAARJFLO-UHFFFAOYSA-N 0 0 455.488 4.637 20 0 JJADRN COc1ccc(S(=O)(=O)CCC(=O)Oc2ccc([C@@H](C)c3ccccc3)cc2)cc1OC ZINC001359974475 1064751531 /nfs/dbraw/zinc/75/15/31/1064751531.db2.gz DWDXZNRZOWNSFO-SFHVURJKSA-N 0 0 454.544 4.625 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(C)(C)C ZINC001435426325 1064751715 /nfs/dbraw/zinc/75/17/15/1064751715.db2.gz FCXGLKDOTBHCOB-JOCHJYFZSA-N 0 0 459.384 4.777 20 0 JJADRN COc1cccc([C@H](C)CCCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)c1 ZINC001359975894 1064752472 /nfs/dbraw/zinc/75/24/72/1064752472.db2.gz YAGPCMIAFYJCEL-MRXNPFEDSA-N 0 0 450.988 4.801 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CC2)cc1 ZINC001435431533 1064752955 /nfs/dbraw/zinc/75/29/55/1064752955.db2.gz MPFMMVIQSCSKPP-AUSIDOKSSA-N 0 0 456.627 4.952 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC001435431272 1064753266 /nfs/dbraw/zinc/75/32/66/1064753266.db2.gz GVKJFZWKFBNUCQ-LJQANCHMSA-N 0 0 455.620 4.514 20 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ZINC001359979358 1064755171 /nfs/dbraw/zinc/75/51/71/1064755171.db2.gz DBQBDTBHZFNZJM-IFMALSPDSA-N 0 0 499.656 4.635 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC001359980196 1064755616 /nfs/dbraw/zinc/75/56/16/1064755616.db2.gz DUMSSKDYJAMCCT-HXUWFJFHSA-N 0 0 454.920 4.870 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1noc(Cc2ccccc2)n1 ZINC001435435600 1064755573 /nfs/dbraw/zinc/75/55/73/1064755573.db2.gz FRLSSNJRJBZGLF-OAHLLOKOSA-N 0 0 452.967 4.781 20 0 JJADRN CC(C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccccc1C(F)(F)F ZINC001359980772 1064756181 /nfs/dbraw/zinc/75/61/81/1064756181.db2.gz IOCOVYUOZRUTGD-UHFFFAOYSA-N 0 0 456.516 4.870 20 0 JJADRN CCOC(=O)c1c(NC(=O)CC(C)(C)C2CC2)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001435436262 1064756258 /nfs/dbraw/zinc/75/62/58/1064756258.db2.gz WAXDITPIFIQIED-UHFFFAOYSA-N 0 0 450.601 4.983 20 0 JJADRN CC(C)(COCc1ccccc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001359981130 1064756512 /nfs/dbraw/zinc/75/65/12/1064756512.db2.gz RCRWRHFCADJNHC-HSZRJFAPSA-N 0 0 459.030 4.851 20 0 JJADRN COC(=O)c1ccc(Cl)c(C(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)c1 ZINC001435437260 1064756536 /nfs/dbraw/zinc/75/65/36/1064756536.db2.gz RXLFHWBCBPZLTE-JOCHJYFZSA-N 0 0 457.885 4.802 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4S[C@@H](C)[C@@H]3C)CC2)cc1C ZINC001435437151 1064756563 /nfs/dbraw/zinc/75/65/63/1064756563.db2.gz YUKGXFOUVMIBLE-OALUTQOASA-N 0 0 458.649 4.620 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 ZINC001359981358 1064756677 /nfs/dbraw/zinc/75/66/77/1064756677.db2.gz VOVYOEWNPKDFDQ-HSZRJFAPSA-N 0 0 459.030 4.985 20 0 JJADRN CC[C@H](CNC(=O)c1ccccc1[S@](=O)C(F)(F)F)Oc1cccc(C(F)(F)F)c1 ZINC001435437954 1064757054 /nfs/dbraw/zinc/75/70/54/1064757054.db2.gz VRRPLNPCJHJJGK-OSXTUODASA-N 0 0 453.404 4.920 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)Oc1cccc(C(F)(F)F)c1 ZINC001435437974 1064757170 /nfs/dbraw/zinc/75/71/70/1064757170.db2.gz USBOAMOAQDDJGW-MAUKXSAKSA-N 0 0 458.274 4.745 20 0 JJADRN COC(=O)C1CCC(NC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)CC1 ZINC001359981638 1064757086 /nfs/dbraw/zinc/75/70/86/1064757086.db2.gz YECNTTAXODWCSY-UHFFFAOYSA-N 0 0 451.386 4.651 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CSCCS1 ZINC001359982461 1064757535 /nfs/dbraw/zinc/75/75/35/1064757535.db2.gz DQZJIOUWNUTMAQ-QGZVFWFLSA-N 0 0 471.490 4.560 20 0 JJADRN CC(C)CN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC001359982466 1064757757 /nfs/dbraw/zinc/75/77/57/1064757757.db2.gz AGLHQXSAOSAKDT-LVXARBLLSA-N 0 0 493.693 4.589 20 0 JJADRN CC(C)CN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC(C)(C)C)nc1)C(C)C ZINC001359982777 1064758049 /nfs/dbraw/zinc/75/80/49/1064758049.db2.gz FLOOOOZHFQCJNY-AREMUKBSSA-N 0 0 473.662 4.810 20 0 JJADRN CC(C)CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C)C(C)C ZINC001359982616 1064758195 /nfs/dbraw/zinc/75/81/95/1064758195.db2.gz DCKBOYOQBBLFHI-IFMALSPDSA-N 0 0 476.065 4.793 20 0 JJADRN CC(C)CN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C)C(C)C ZINC001359982618 1064758228 /nfs/dbraw/zinc/75/82/28/1064758228.db2.gz DCKBOYOQBBLFHI-IRLDBZIGSA-N 0 0 476.065 4.793 20 0 JJADRN CSCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC001435439765 1064758193 /nfs/dbraw/zinc/75/81/93/1064758193.db2.gz GJVVMFILCMGLIK-VWKPWSFCSA-N 0 0 459.011 4.708 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@@H](CC(C)C)c3ccc(Cl)cc3)C2=O)c1 ZINC001435439987 1064758240 /nfs/dbraw/zinc/75/82/40/1064758240.db2.gz WDSHCKWIUHPGHP-GOTSBHOMSA-N 0 0 458.986 4.751 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)NC3C(C)(C)C3(C)C)[C@H]2c2ccccc2OC)cc1 ZINC001435440359 1064758768 /nfs/dbraw/zinc/75/87/68/1064758768.db2.gz XLZFAXSRLOCKRM-NZQKXSOJSA-N 0 0 450.579 4.739 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1)C1CCCC1 ZINC001359983021 1064759077 /nfs/dbraw/zinc/75/90/77/1064759077.db2.gz KLDQQUPYNSKNCH-NHCUHLMSSA-N 0 0 473.637 4.683 20 0 JJADRN O=C(c1ccc(F)c(I)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001435442407 1064759088 /nfs/dbraw/zinc/75/90/88/1064759088.db2.gz UZAWIAAFMRCNJY-UHFFFAOYSA-N 0 0 450.078 4.936 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001435442240 1064759178 /nfs/dbraw/zinc/75/91/78/1064759178.db2.gz SPLXGXRLGKSVPQ-BKMJKUGQSA-N 0 0 454.567 4.756 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)C1CCCC1 ZINC001359983020 1064759206 /nfs/dbraw/zinc/75/92/06/1064759206.db2.gz KLDQQUPYNSKNCH-LEWJYISDSA-N 0 0 473.637 4.683 20 0 JJADRN CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001359983071 1064759357 /nfs/dbraw/zinc/75/93/57/1064759357.db2.gz PVDSOVCYGPFHFG-QFIPXVFZSA-N 0 0 497.619 4.815 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC001435443199 1064759749 /nfs/dbraw/zinc/75/97/49/1064759749.db2.gz JCLFQFZGWPFHGV-UHFFFAOYSA-N 0 0 458.940 4.620 20 0 JJADRN CC(C)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001359983432 1064760260 /nfs/dbraw/zinc/76/02/60/1064760260.db2.gz XPOAAZBFTDUAJR-UHFFFAOYSA-N 0 0 474.890 4.542 20 0 JJADRN CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(C1)OCCO2)C(C)C ZINC001359983393 1064760352 /nfs/dbraw/zinc/76/03/52/1064760352.db2.gz PHAYYBZIYWHWCA-PMACEKPBSA-N 0 0 460.594 4.971 20 0 JJADRN NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001435444581 1064760718 /nfs/dbraw/zinc/76/07/18/1064760718.db2.gz BXLZFTZJKFMOLC-INIZCTEOSA-N 0 0 453.464 4.725 20 0 JJADRN CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)COCCO1)C1CCCC1 ZINC001359983558 1064760983 /nfs/dbraw/zinc/76/09/83/1064760983.db2.gz SGKCQTQTPXOFJJ-CLOONOSVSA-N 0 0 460.594 4.768 20 0 JJADRN CC(C)CN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1)C1CCCC1 ZINC001359983618 1064761011 /nfs/dbraw/zinc/76/10/11/1064761011.db2.gz ULXAWIYUHFJKCM-UHFFFAOYSA-N 0 0 494.684 4.998 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)N[C@H](C)c3noc(-c4ccc(Cl)cc4)n3)CC2=O)cc1 ZINC001435445311 1064761258 /nfs/dbraw/zinc/76/12/58/1064761258.db2.gz GMUVEHMIGAEFIL-CRAIPNDOSA-N 0 0 452.942 4.573 20 0 JJADRN CCOc1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)ccc1OCC(=O)OC ZINC001435445528 1064761517 /nfs/dbraw/zinc/76/15/17/1064761517.db2.gz KQSMMSJPMYKXKR-UHFFFAOYSA-N 0 0 459.420 4.974 20 0 JJADRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)c2)n1 ZINC001435445994 1064762068 /nfs/dbraw/zinc/76/20/68/1064762068.db2.gz FZEISANDACKEKC-SFHVURJKSA-N 0 0 454.571 4.973 20 0 JJADRN CCOc1c(Br)cc(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)cc1OC ZINC001435447161 1064762491 /nfs/dbraw/zinc/76/24/91/1064762491.db2.gz SLOFHYXYFOXDFU-SFHVURJKSA-N 0 0 450.373 4.862 20 0 JJADRN CC(C)CN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCOC1=O)C(C)C ZINC001359985003 1064763336 /nfs/dbraw/zinc/76/33/36/1064763336.db2.gz GIBCMNFBKIPESI-UHFFFAOYSA-N 0 0 459.660 4.989 20 0 JJADRN COc1ccccc1/C(C)=C\C(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2 ZINC001435448291 1064763747 /nfs/dbraw/zinc/76/37/47/1064763747.db2.gz UKSZFNMPBBNLEM-QINSGFPZSA-N 0 0 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O=C(N[C@H](CCCCc1ccccc1)c1ccccc1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001435475057 1064779043 /nfs/dbraw/zinc/77/90/43/1064779043.db2.gz MHKFNNZNRSHTBZ-RUZDIDTESA-N 0 0 455.558 4.729 20 0 JJADRN CCc1cc(Br)ccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC001435475805 1064779621 /nfs/dbraw/zinc/77/96/21/1064779621.db2.gz QYMATOGBZPDEQQ-UHFFFAOYSA-N 0 0 453.402 4.603 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC001435476930 1064780325 /nfs/dbraw/zinc/78/03/25/1064780325.db2.gz KFYJSRDQMOXPHL-UHFFFAOYSA-N 0 0 456.926 4.819 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)o1 ZINC001435477857 1064780508 /nfs/dbraw/zinc/78/05/08/1064780508.db2.gz RAXMGWRZFNXAGI-IBGZPJMESA-N 0 0 451.519 4.521 20 0 JJADRN CC(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001359995539 1064781132 /nfs/dbraw/zinc/78/11/32/1064781132.db2.gz XLVRREOZSRDGOG-JQWIXIFHSA-N 0 0 453.328 4.581 20 0 JJADRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001359995776 1064781551 /nfs/dbraw/zinc/78/15/51/1064781551.db2.gz DRABHYYQBTUWIH-LJQANCHMSA-N 0 0 452.498 4.785 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1C(F)(F)F ZINC001435481142 1064782324 /nfs/dbraw/zinc/78/23/24/1064782324.db2.gz ARRAFCQIXFPESD-UHFFFAOYSA-N 0 0 452.436 4.662 20 0 JJADRN Cn1cc(/C=C\C(=O)Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cn1 ZINC001435480668 1064782408 /nfs/dbraw/zinc/78/24/08/1064782408.db2.gz YRLBDGAEITYOGV-YHYXMXQVSA-N 0 0 451.280 4.518 20 0 JJADRN CC(C)[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C(=O)OC(C)(C)C ZINC001435482128 1064782694 /nfs/dbraw/zinc/78/26/94/1064782694.db2.gz OKRJDXLUDWZQMH-MRXNPFEDSA-N 0 0 452.311 4.883 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001359997487 1064782757 /nfs/dbraw/zinc/78/27/57/1064782757.db2.gz DLRGYUVFXKJJLL-UHFFFAOYSA-N 0 0 450.414 4.889 20 0 JJADRN C[C@H](NC(=O)Cc1nn(C)c2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435481635 1064782715 /nfs/dbraw/zinc/78/27/15/1064782715.db2.gz ADAYVKFNWWFMOA-ZDUSSCGKSA-N 0 0 455.381 4.879 20 0 JJADRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)Nc1cccn(Cc2ccccc2)c1=O ZINC001435482021 1064782845 /nfs/dbraw/zinc/78/28/45/1064782845.db2.gz FLWUEDCBRUVZOG-UHFFFAOYSA-N 0 0 454.526 4.536 20 0 JJADRN CC(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001359997510 1064782825 /nfs/dbraw/zinc/78/28/25/1064782825.db2.gz GIRQEISPSHSXKL-SFHVURJKSA-N 0 0 450.587 4.500 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Nc3cccn(Cc4ccccc4)c3=O)CC2(Cl)Cl)cc1 ZINC001435482658 1064783356 /nfs/dbraw/zinc/78/33/56/1064783356.db2.gz IIHFCUCPKNWJAV-QHCPKHFHSA-N 0 0 457.357 4.749 20 0 JJADRN O=C(N[C@@H]1CCCN(C(=O)c2cccc(F)c2OC(F)(F)F)C1)c1cc2ccccc2o1 ZINC001435482503 1064783467 /nfs/dbraw/zinc/78/34/67/1064783467.db2.gz AVDPRCMRKBNQFJ-CQSZACIVSA-N 0 0 450.388 4.505 20 0 JJADRN CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001359997610 1064783385 /nfs/dbraw/zinc/78/33/85/1064783385.db2.gz LFUZQEZNMUVBLG-UHFFFAOYSA-N 0 0 478.346 4.803 20 0 JJADRN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OCC2CC2)CC1 ZINC001359997792 1064783437 /nfs/dbraw/zinc/78/34/37/1064783437.db2.gz YPTYWTQGJDLZGT-UHFFFAOYSA-N 0 0 451.384 4.898 20 0 JJADRN C[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001435483369 1064783965 /nfs/dbraw/zinc/78/39/65/1064783965.db2.gz NJZIRLQBGXSQOY-CYBMUJFWSA-N 0 0 454.353 4.644 20 0 JJADRN CC(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001359998253 1064784301 /nfs/dbraw/zinc/78/43/01/1064784301.db2.gz YENZTDQQFGONSL-ZWKOTPCHSA-N 0 0 452.603 4.822 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)NCCOc1ccc(F)c(F)c1 ZINC001359998606 1064784765 /nfs/dbraw/zinc/78/47/65/1064784765.db2.gz DQOVMLJGWLXTSB-UHFFFAOYSA-N 0 0 456.276 4.840 20 0 JJADRN C[C@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 ZINC001359998712 1064784869 /nfs/dbraw/zinc/78/48/69/1064784869.db2.gz FXGCOYAGIOCQHD-KXBFYZLASA-N 0 0 459.612 4.989 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C12CCC2 ZINC001435486166 1064784889 /nfs/dbraw/zinc/78/48/89/1064784889.db2.gz XFYXJYIXDIBRDK-NNCXYDKZSA-N 0 0 454.567 4.698 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CSC[C@H]3C(=O)Nc3cccc(C)c3C)c12 ZINC001359999338 1064785548 /nfs/dbraw/zinc/78/55/48/1064785548.db2.gz ULWVYOVUVJYUBB-FQEVSTJZSA-N 0 0 452.580 4.508 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)NCCc3ccc(NC(=O)OC(C)(C)C)cc3)sc21 ZINC001435488214 1064786035 /nfs/dbraw/zinc/78/60/35/1064786035.db2.gz CVVAHMXSTAXWRR-UHFFFAOYSA-N 0 0 450.511 4.892 20 0 JJADRN COC[C@@]1(C(=O)NCc2ccc(C)cc2Oc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC001435489308 1064786383 /nfs/dbraw/zinc/78/63/83/1064786383.db2.gz MWJPTIIORCVMIR-AREMUKBSSA-N 0 0 454.567 4.677 20 0 JJADRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC001435488484 1064786490 /nfs/dbraw/zinc/78/64/90/1064786490.db2.gz UWEDDHSTIRMPRX-JOCHJYFZSA-N 0 0 456.384 4.524 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N(C)Cc2cccc(N(C)C)c2)cc1 ZINC001435490494 1064787600 /nfs/dbraw/zinc/78/76/00/1064787600.db2.gz DYPCIHBLAUREDW-UHFFFAOYSA-N 0 0 454.574 4.815 20 0 JJADRN Cc1c(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c2ccccc2n1Cc1ccccc1 ZINC001435493348 1064787962 /nfs/dbraw/zinc/78/79/62/1064787962.db2.gz HOIHVGSYEXEDAA-UHFFFAOYSA-N 0 0 450.535 4.934 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc(C)cc(Br)c3o2)cc1 ZINC001360001789 1064787975 /nfs/dbraw/zinc/78/79/75/1064787975.db2.gz CEDWQUQOYTXDPY-KRWDZBQOSA-N 0 0 459.365 4.966 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001435494161 1064788128 /nfs/dbraw/zinc/78/81/28/1064788128.db2.gz BDXHVJWSIIPGBC-BBRMVZONSA-N 0 0 454.562 4.907 20 0 JJADRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC001360001955 1064788129 /nfs/dbraw/zinc/78/81/29/1064788129.db2.gz COOZBDOKJOXFDT-UHFFFAOYSA-N 0 0 459.420 4.648 20 0 JJADRN CC(C)NC(=O)CSc1ccccc1C(=O)Oc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001360002157 1064788191 /nfs/dbraw/zinc/78/81/91/1064788191.db2.gz GXMCIXVRCXTDIE-UHFFFAOYSA-N 0 0 458.580 4.547 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC001360002279 1064788506 /nfs/dbraw/zinc/78/85/06/1064788506.db2.gz IJEQQWHACSSWRA-NTKDMRAZSA-N 0 0 458.583 4.870 20 0 JJADRN CCC[C@@H]1CCCN(C(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001435494808 1064788555 /nfs/dbraw/zinc/78/85/55/1064788555.db2.gz NYSBGEMZGKFZHM-GFCCVEGCSA-N 0 0 450.158 4.635 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C)cc2OC)c1 ZINC001435494622 1064788622 /nfs/dbraw/zinc/78/86/22/1064788622.db2.gz BUXXPDJIXXHIAM-UHFFFAOYSA-N 0 0 450.560 4.673 20 0 JJADRN CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001360003294 1064789123 /nfs/dbraw/zinc/78/91/23/1064789123.db2.gz HYDLMQSEGAZCCG-UHFFFAOYSA-N 0 0 456.591 4.516 20 0 JJADRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Cl)c(I)c1 ZINC001435494923 1064789097 /nfs/dbraw/zinc/78/90/97/1064789097.db2.gz FVDHDXABAHTWFL-JTQLQIEISA-N 0 0 456.736 4.915 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1 ZINC001360003953 1064789443 /nfs/dbraw/zinc/78/94/43/1064789443.db2.gz ZSRJFBZPDIXVQM-NRFANRHFSA-N 0 0 450.560 4.938 20 0 JJADRN Cc1c(C(=O)N[C@H](C)Cc2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 ZINC001435495613 1064789453 /nfs/dbraw/zinc/78/94/53/1064789453.db2.gz PEDDDBRCUQLNAQ-CYBMUJFWSA-N 0 0 455.381 4.914 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1 ZINC001360003954 1064789717 /nfs/dbraw/zinc/78/97/17/1064789717.db2.gz ZSRJFBZPDIXVQM-OAQYLSRUSA-N 0 0 450.560 4.938 20 0 JJADRN Cc1cc(F)cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)c1 ZINC001435497617 1064790001 /nfs/dbraw/zinc/79/00/01/1064790001.db2.gz NDXLNXHVALEQPE-UHFFFAOYSA-N 0 0 452.511 4.677 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)NCC3(Cc4ccccc4)CCC3)CC2=O)ccc1Br ZINC001435497287 1064790129 /nfs/dbraw/zinc/79/01/29/1064790129.db2.gz ICKVYWSLEAHXKK-IBGZPJMESA-N 0 0 455.396 4.640 20 0 JJADRN CCC(CC)(CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC001360004056 1064790199 /nfs/dbraw/zinc/79/01/99/1064790199.db2.gz DJFXFOCGWYKGOJ-IFMALSPDSA-N 0 0 459.034 4.636 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)NCc1ccn(C2CCCC2)n1)C1CCCCC1 ZINC001435498087 1064790544 /nfs/dbraw/zinc/79/05/44/1064790544.db2.gz PDRMJUSROUVBFS-UHFFFAOYSA-N 0 0 454.640 4.811 20 0 JJADRN CS(=O)(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1F ZINC001435498116 1064790624 /nfs/dbraw/zinc/79/06/24/1064790624.db2.gz PSXLHLQVVZWIPE-UHFFFAOYSA-N 0 0 454.498 4.765 20 0 JJADRN COCc1nc(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)cs1 ZINC001435497564 1064790741 /nfs/dbraw/zinc/79/07/41/1064790741.db2.gz LFYTWQRDKSLSQM-SNVBAGLBSA-N 0 0 452.399 4.975 20 0 JJADRN CC(C)c1ncc(Br)c(C(=O)NCC(C)(C)c2cccc(Br)c2)n1 ZINC001360004452 1064790660 /nfs/dbraw/zinc/79/06/60/1064790660.db2.gz LDHMHFKKUNYDMP-UHFFFAOYSA-N 0 0 455.194 4.833 20 0 JJADRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3cccc(F)c32)c1 ZINC001435500069 1064791140 /nfs/dbraw/zinc/79/11/40/1064791140.db2.gz KERFTVGUINQUFO-UHFFFAOYSA-N 0 0 458.942 4.503 20 0 JJADRN CC1(C)C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c2ccccc21 ZINC001435500107 1064791246 /nfs/dbraw/zinc/79/12/46/1064791246.db2.gz JCNVQCDWXYMYCD-OAQYLSRUSA-N 0 0 455.396 4.840 20 0 JJADRN COc1ccc(CCNC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1OC(F)F ZINC001360004861 1064791924 /nfs/dbraw/zinc/79/19/24/1064791924.db2.gz UZKYWKCYRXQTTQ-UHFFFAOYSA-N 0 0 451.473 4.916 20 0 JJADRN CC1CCC(N2C[C@H](C(=O)N3CCCc4cc(Br)cc(Cl)c43)CC2=O)CC1 ZINC001360005358 1064792300 /nfs/dbraw/zinc/79/23/00/1064792300.db2.gz KYNIUTAVOWNNRW-GNHJJJEISA-N 0 0 453.808 4.809 20 0 JJADRN CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1 ZINC001360005980 1064792771 /nfs/dbraw/zinc/79/27/71/1064792771.db2.gz IXGZMKNVNYXAFZ-QHCPKHFHSA-N 0 0 483.657 4.882 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001360005879 1064792811 /nfs/dbraw/zinc/79/28/11/1064792811.db2.gz FPPRBERJRAXTOH-PLMTUMEDSA-N 0 0 491.583 4.561 20 0 JJADRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001360006319 1064793415 /nfs/dbraw/zinc/79/34/15/1064793415.db2.gz MZSLJDIQKJMSID-HNNXBMFYSA-N 0 0 461.985 4.953 20 0 JJADRN CC(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001360006400 1064793498 /nfs/dbraw/zinc/79/34/98/1064793498.db2.gz OVCWTWLAYPLYJB-OTWHNJEPSA-N 0 0 459.660 4.978 20 0 JJADRN CN(Cc1cc(Cl)cn1C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435505283 1064793787 /nfs/dbraw/zinc/79/37/87/1064793787.db2.gz YUVDKJHURWCCCH-KRWDZBQOSA-N 0 0 459.896 4.922 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)no1 ZINC001435506846 1064794569 /nfs/dbraw/zinc/79/45/69/1064794569.db2.gz HXTOPIGUCAIFNW-UHFFFAOYSA-N 0 0 450.495 4.507 20 0 JJADRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001435507640 1064795075 /nfs/dbraw/zinc/79/50/75/1064795075.db2.gz CLEBKSDYYOYMLI-OAQYLSRUSA-N 0 0 453.970 4.968 20 0 JJADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1 ZINC001435509132 1064795701 /nfs/dbraw/zinc/79/57/01/1064795701.db2.gz FNIOXXXZHURMCV-QMTHXVAHSA-N 0 0 454.695 4.791 20 0 JJADRN Cc1ccc(CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)c(OC[C@@H]2CCCO2)c1 ZINC001435509844 1064796125 /nfs/dbraw/zinc/79/61/25/1064796125.db2.gz WVUKEQFHKVKGRF-VWLOTQADSA-N 0 0 458.558 4.516 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC001435509841 1064796288 /nfs/dbraw/zinc/79/62/88/1064796288.db2.gz WROVJMYNPWTLEV-QGZVFWFLSA-N 0 0 456.587 4.618 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001435510259 1064796525 /nfs/dbraw/zinc/79/65/25/1064796525.db2.gz PXXXVCQRUFOPQF-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN Cc1ccc(Br)nc1C(=O)Nc1cc(I)ccc1Cl ZINC001435510112 1064796569 /nfs/dbraw/zinc/79/65/69/1064796569.db2.gz MURJWRNAGIVNFD-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN O=C(Nc1cnc(Br)c(Br)c1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001435510282 1064796654 /nfs/dbraw/zinc/79/66/54/1064796654.db2.gz QYIFMHCNLQSNDM-JTQLQIEISA-N 0 0 459.569 4.725 20 0 JJADRN COc1ccc([C@H](CC(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)NC(C)=O)cc1 ZINC001435512096 1064797551 /nfs/dbraw/zinc/79/75/51/1064797551.db2.gz DSTWKADEJMWPJJ-SVBPBHIXSA-N 0 0 458.558 4.597 20 0 JJADRN O=C([C@@H]1CCC(=O)N(c2cccc(F)c2)C1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435512217 1064797603 /nfs/dbraw/zinc/79/76/03/1064797603.db2.gz FGOLRZMFZYNIRN-RDTXWAMCSA-N 0 0 451.325 4.555 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cnc3n2CCCCC3)c1 ZINC001435512156 1064797698 /nfs/dbraw/zinc/79/76/98/1064797698.db2.gz AMPSNHNFOOAXDZ-UHFFFAOYSA-N 0 0 456.955 4.848 20 0 JJADRN CC(C)CN1C[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Sc3ccccc3)CCN2C1=O ZINC001360008789 1064798199 /nfs/dbraw/zinc/79/81/99/1064798199.db2.gz XVNMXEKQGOLJFF-RTWAWAEBSA-N 0 0 484.714 4.630 20 0 JJADRN O=C(NCCNC(=O)c1ccccc1Oc1cccc(Br)c1)c1ccccc1F ZINC001435513592 1064798767 /nfs/dbraw/zinc/79/87/67/1064798767.db2.gz MVCZTOBGYSOYSW-UHFFFAOYSA-N 0 0 457.299 4.540 20 0 JJADRN COc1cc(OC)cc(OCCCN(C)C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)c1 ZINC001435514235 1064798800 /nfs/dbraw/zinc/79/88/00/1064798800.db2.gz PHEJMWLLFOVEKS-UHFFFAOYSA-N 0 0 451.567 4.862 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435514204 1064798849 /nfs/dbraw/zinc/79/88/49/1064798849.db2.gz OVRKPFZBCBIVJQ-UKRRQHHQSA-N 0 0 457.151 4.912 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001435514200 1064798859 /nfs/dbraw/zinc/79/88/59/1064798859.db2.gz OVRKPFZBCBIVJQ-DZGCQCFKSA-N 0 0 457.151 4.912 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC001435516119 1064799726 /nfs/dbraw/zinc/79/97/26/1064799726.db2.gz HVPPVGXRDBMFOH-SFHVURJKSA-N 0 0 457.741 4.509 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1c1ccc(C)o1 ZINC001435518007 1064800806 /nfs/dbraw/zinc/80/08/06/1064800806.db2.gz CWQPBNAUWKAHLP-QZTJIDSGSA-N 0 0 454.445 4.807 20 0 JJADRN 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CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1nnn(-c2ccccc2Br)c1C ZINC001435548877 1064822996 /nfs/dbraw/zinc/82/29/96/1064822996.db2.gz MXZQRUMWVZGWJO-HNNXBMFYSA-N 0 0 457.372 4.754 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)cc2Br)cc1 ZINC001360020176 1064823700 /nfs/dbraw/zinc/82/37/00/1064823700.db2.gz PVNZPCAZXGAUEP-ZDUSSCGKSA-N 0 0 454.386 4.696 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)C1 ZINC001360021020 1064824312 /nfs/dbraw/zinc/82/43/12/1064824312.db2.gz UURLLLSETXCFSC-CLOONOSVSA-N 0 0 457.530 4.854 20 0 JJADRN CON(C(=O)c1nc(Br)ccc1Br)[C@H]1CCCOc2ccccc21 ZINC001435551443 1064825587 /nfs/dbraw/zinc/82/55/87/1064825587.db2.gz MGVLVOXPPNCKOR-ZDUSSCGKSA-N 0 0 456.134 4.524 20 0 JJADRN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCSC2(C)C)[C@@H](C)C1=O ZINC001360022078 1064826186 /nfs/dbraw/zinc/82/61/86/1064826186.db2.gz ZDYQKPKKODBQSM-ROUUACIJSA-N 0 0 476.090 4.823 20 0 JJADRN Cc1cc(-c2cc(C(=O)NCc3nnc(C(C)(C)C)s3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001435553332 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JBEPCALLHUXDDH-UHFFFAOYSA-N 0 0 455.308 4.619 20 0 JJADRN CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)n1 ZINC001360049275 1064871417 /nfs/dbraw/zinc/87/14/17/1064871417.db2.gz QESYTNGXWPWUDV-BVZFJXPGSA-N 0 0 476.666 4.660 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608107 1064871781 /nfs/dbraw/zinc/87/17/81/1064871781.db2.gz KCQCCOMCNPPWHK-IVZQSRNASA-N 0 0 450.348 4.572 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001360049313 1064872092 /nfs/dbraw/zinc/87/20/92/1064872092.db2.gz QYSZYSMPFAFCSR-WOIUINJBSA-N 0 0 499.660 4.868 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CC[C@@H](C)C2)n1 ZINC001360049592 1064872126 /nfs/dbraw/zinc/87/21/26/1064872126.db2.gz UJAQSZIMKGAHAB-QRVBRYPASA-N 0 0 453.591 4.529 20 0 JJADRN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC001360049514 1064872195 /nfs/dbraw/zinc/87/21/95/1064872195.db2.gz XJGVVPYRWCTXGP-HSZRJFAPSA-N 0 0 457.505 4.577 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccc3F)n2CC2CC(F)(F)C2)n1 ZINC001360049568 1064872220 /nfs/dbraw/zinc/87/22/20/1064872220.db2.gz UBXDFEVONAPFCH-OAHLLOKOSA-N 0 0 478.519 4.883 20 0 JJADRN COc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)O[C@@H](C)C2 ZINC001435608814 1064872406 /nfs/dbraw/zinc/87/24/06/1064872406.db2.gz MSVKXLGRJOMBEM-RYUDHWBXSA-N 0 0 454.748 4.518 20 0 JJADRN CCOc1cccc(CCNC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 ZINC001435608971 1064872466 /nfs/dbraw/zinc/87/24/66/1064872466.db2.gz IPFWGTYGTZUJCY-UHFFFAOYSA-N 0 0 454.596 4.893 20 0 JJADRN COc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)O[C@H](C)C2 ZINC001435608810 1064872482 /nfs/dbraw/zinc/87/24/82/1064872482.db2.gz MSVKXLGRJOMBEM-NEPJUHHUSA-N 0 0 454.748 4.518 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)NCC(C)(C)c3ccccc3Br)CCC2=O)c1 ZINC001435609571 1064873351 /nfs/dbraw/zinc/87/33/51/1064873351.db2.gz MNEZCFLDHGQAMW-UHFFFAOYSA-N 0 0 456.384 4.643 20 0 JJADRN CC(C)COc1ccc(Cn2c(N3CCN(CC(F)(F)C(F)F)CC3)nnc2C(C)(C)C)cc1 ZINC001360049902 1064873647 /nfs/dbraw/zinc/87/36/47/1064873647.db2.gz CIGFRKZSJQWDLB-UHFFFAOYSA-N 0 0 485.570 4.681 20 0 JJADRN C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435610094 1064873768 /nfs/dbraw/zinc/87/37/68/1064873768.db2.gz NIIBUFUPJJDOHI-VFNWGFHPSA-N 0 0 456.530 4.622 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cc1Cl ZINC001435610234 1064873906 /nfs/dbraw/zinc/87/39/06/1064873906.db2.gz SIPDGTRBFMATAS-NSHDSACASA-N 0 0 458.711 4.611 20 0 JJADRN CC(C)COc1ccc(Cn2c(N3CCC(OC[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)cc1 ZINC001360049989 1064873738 /nfs/dbraw/zinc/87/37/38/1064873738.db2.gz GCTGACBDYLGKNZ-JOCHJYFZSA-N 0 0 470.658 4.681 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001360050104 1064874359 /nfs/dbraw/zinc/87/43/59/1064874359.db2.gz IOJZJXVCNXHSPP-VXKWHMMOSA-N 0 0 453.631 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1ccc(SC(F)F)nc1 ZINC001435610869 1064874646 /nfs/dbraw/zinc/87/46/46/1064874646.db2.gz OLKNRXSGPCCMJW-KRWDZBQOSA-N 0 0 451.495 4.706 20 0 JJADRN CC(C)COc1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001360050252 1064874645 /nfs/dbraw/zinc/87/46/45/1064874645.db2.gz NAMMFQCYVTXSIJ-OAQYLSRUSA-N 0 0 471.646 4.836 20 0 JJADRN CC(C)COc1ccc(Cn2c(N3CC[C@H](C)[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001360050326 1064875244 /nfs/dbraw/zinc/87/52/44/1064875244.db2.gz OXQVRLPQDQKHGV-WOVHNISZSA-N 0 0 456.631 4.637 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)Nc3ccn(CC(F)(F)F)n3)cc21 ZINC001435611883 1064875372 /nfs/dbraw/zinc/87/53/72/1064875372.db2.gz BLDDLUTXLPXYGE-MRXNPFEDSA-N 0 0 452.477 4.642 20 0 JJADRN O=C(OCc1ccccc1)N1C[C@H](F)C[C@@H]1C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001435613980 1064876897 /nfs/dbraw/zinc/87/68/97/1064876897.db2.gz PJXVPUNRXLYSEC-ICDZXHCJSA-N 0 0 452.570 4.997 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)NCc2ccc(Sc3ccccc3)cc2)cc1 ZINC001435614817 1064877394 /nfs/dbraw/zinc/87/73/94/1064877394.db2.gz MAKCVMQCQIHXAI-UHFFFAOYSA-N 0 0 452.601 4.835 20 0 JJADRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001435614090 1064877864 /nfs/dbraw/zinc/87/78/64/1064877864.db2.gz SLIUBZJNBVXDPF-HNNXBMFYSA-N 0 0 457.290 4.867 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 ZINC001360051172 1064878149 /nfs/dbraw/zinc/87/81/49/1064878149.db2.gz FSRYFHXZNDNMKD-UHFFFAOYSA-N 0 0 458.381 4.887 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)c(C)c1 ZINC001360051095 1064878185 /nfs/dbraw/zinc/87/81/85/1064878185.db2.gz DDBCXMMPTOHPRE-RBUKOAKNSA-N 0 0 453.583 4.831 20 0 JJADRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC001435615408 1064878421 /nfs/dbraw/zinc/87/84/21/1064878421.db2.gz OATBAVGWQZLCEU-HSZRJFAPSA-N 0 0 450.489 4.907 20 0 JJADRN CS[C@H]1CCCCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001435616564 1064879166 /nfs/dbraw/zinc/87/91/66/1064879166.db2.gz FFNZXKZXHPTPQM-SFHVURJKSA-N 0 0 456.612 4.910 20 0 JJADRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC001360052115 1064879862 /nfs/dbraw/zinc/87/98/62/1064879862.db2.gz OIAPSWZFBVFPNO-UHFFFAOYSA-N 0 0 459.365 4.839 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)ccc1C(=O)NC(C)C ZINC001360052239 1064879947 /nfs/dbraw/zinc/87/99/47/1064879947.db2.gz RSGWUMIKSSDDHG-UHFFFAOYSA-N 0 0 454.933 4.852 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001435618271 1064881245 /nfs/dbraw/zinc/88/12/45/1064881245.db2.gz GCTWXXSDBAXSKP-MRXNPFEDSA-N 0 0 457.290 4.867 20 0 JJADRN CC(C)COc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c1 ZINC001360053007 1064881251 /nfs/dbraw/zinc/88/12/51/1064881251.db2.gz SUTUIQKWTQABPM-NRFANRHFSA-N 0 0 495.693 4.707 20 0 JJADRN CC(C)COc1cccc(Cn2c(N3CCC[C@H](c4ccnn4C)C3)nnc2C(C)(C)C)c1 ZINC001360053280 1064881264 /nfs/dbraw/zinc/88/12/64/1064881264.db2.gz XZGFTBKYABRVGF-NRFANRHFSA-N 0 0 450.631 4.776 20 0 JJADRN CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001360052711 1064881387 /nfs/dbraw/zinc/88/13/87/1064881387.db2.gz PMDKJDPZFVMJQK-UHFFFAOYSA-N 0 0 468.564 4.843 20 0 JJADRN O=C(COc1cc(Cl)cc(Cl)c1)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC001435620312 1064882086 /nfs/dbraw/zinc/88/20/86/1064882086.db2.gz JZMNJXYECDJHQR-CQSZACIVSA-N 0 0 454.354 4.625 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360053714 1064882070 /nfs/dbraw/zinc/88/20/70/1064882070.db2.gz DIIJHJARRXFDIE-SFHVURJKSA-N 0 0 489.414 4.857 20 0 JJADRN CC(C)COc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001360053735 1064882119 /nfs/dbraw/zinc/88/21/19/1064882119.db2.gz DRJZXSBXTBFVNZ-UHFFFAOYSA-N 0 0 469.674 4.645 20 0 JJADRN O=C(Nc1cc(F)c(F)cc1Br)c1cnn(-c2ccc(Br)cc2)c1 ZINC001435620544 1064882867 /nfs/dbraw/zinc/88/28/67/1064882867.db2.gz OVQULWSZSNVMSW-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@H](OC)c1ccccc1Br ZINC001435622020 1064883419 /nfs/dbraw/zinc/88/34/19/1064883419.db2.gz WPJCMYMBCQQERT-QGZVFWFLSA-N 0 0 457.162 4.566 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360054470 1064883547 /nfs/dbraw/zinc/88/35/47/1064883547.db2.gz LCGNFHVOGCSASO-UHFFFAOYSA-N 0 0 495.590 4.554 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360054848 1064884015 /nfs/dbraw/zinc/88/40/15/1064884015.db2.gz OMSBGYRIWGMNAY-FQEVSTJZSA-N 0 0 471.646 4.762 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 ZINC001360054855 1064884081 /nfs/dbraw/zinc/88/40/81/1064884081.db2.gz OOLCIWKEQCTTOO-IRLDBZIGSA-N 0 0 499.656 4.516 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)CC[C@H]1c1ccc(C)o1 ZINC001435622345 1064884181 /nfs/dbraw/zinc/88/41/81/1064884181.db2.gz RFUJKMULWBXGTG-JKSUJKDBSA-N 0 0 450.417 4.784 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(OC(F)F)cc2F)c1Cl ZINC001435622665 1064884235 /nfs/dbraw/zinc/88/42/35/1064884235.db2.gz VCTCXCUHYSBWIC-UHFFFAOYSA-N 0 0 452.610 4.882 20 0 JJADRN CC(C)COc1ccccc1Cn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001360054850 1064884231 /nfs/dbraw/zinc/88/42/31/1064884231.db2.gz OMSBGYRIWGMNAY-HXUWFJFHSA-N 0 0 471.646 4.762 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(=O)c2ccc(Cl)cc2o1 ZINC001435623886 1064884974 /nfs/dbraw/zinc/88/49/74/1064884974.db2.gz FUQNCQKFTVRIAA-IERDGZPVSA-N 0 0 453.970 4.523 20 0 JJADRN CC(C)COc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001360055952 1064885576 /nfs/dbraw/zinc/88/55/76/1064885576.db2.gz XLZXWFAMWQSIOY-LADGPHEKSA-N 0 0 497.684 4.734 20 0 JJADRN CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001435624686 1064885581 /nfs/dbraw/zinc/88/55/81/1064885581.db2.gz DKGHVLYQCRMGNI-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC001360055729 1064885627 /nfs/dbraw/zinc/88/56/27/1064885627.db2.gz ZNHNZAVQLPJSNF-QHCPKHFHSA-N 0 0 457.592 4.744 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(Br)n1 ZINC001435624360 1064885644 /nfs/dbraw/zinc/88/56/44/1064885644.db2.gz AIFKAVJUEZATSY-HNNXBMFYSA-N 0 0 457.155 4.703 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(Br)n1 ZINC001435624362 1064885711 /nfs/dbraw/zinc/88/57/11/1064885711.db2.gz AIFKAVJUEZATSY-OAHLLOKOSA-N 0 0 457.155 4.703 20 0 JJADRN CC(C)COc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001360055443 1064885685 /nfs/dbraw/zinc/88/56/85/1064885685.db2.gz TUCKIISPURHEQE-HSZRJFAPSA-N 0 0 454.640 4.875 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001435625801 1064887130 /nfs/dbraw/zinc/88/71/30/1064887130.db2.gz SNEJLGOVHLYCRK-UHFFFAOYSA-N 0 0 451.336 4.854 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)C1 ZINC001360056859 1064888637 /nfs/dbraw/zinc/88/86/37/1064888637.db2.gz FZMHACDHNDMNEJ-KRWDZBQOSA-N 0 0 480.357 4.614 20 0 JJADRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627320 1064889132 /nfs/dbraw/zinc/88/91/32/1064889132.db2.gz YFOUSLRDFKNAHP-AUSIDOKSSA-N 0 0 453.627 4.903 20 0 JJADRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627322 1064889626 /nfs/dbraw/zinc/88/96/26/1064889626.db2.gz YFOUSLRDFKNAHP-WMZHIEFXSA-N 0 0 453.627 4.903 20 0 JJADRN COc1ccc([C@@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c2ccccc2OC)cc1 ZINC001435627917 1064889745 /nfs/dbraw/zinc/88/97/45/1064889745.db2.gz YNOWJSGUJMBOOD-HSZRJFAPSA-N 0 0 456.583 4.993 20 0 JJADRN CC(C)[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)c1nc(-c2ccncc2)no1 ZINC001360057104 1064890353 /nfs/dbraw/zinc/89/03/53/1064890353.db2.gz MBBJPVMEJQKIPQ-GOSISDBHSA-N 0 0 455.356 4.730 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 ZINC001360057709 1064890938 /nfs/dbraw/zinc/89/09/38/1064890938.db2.gz NASCFPPRTJJBGL-RDPSFJRHSA-N 0 0 490.435 4.806 20 0 JJADRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1 ZINC001435630089 1064891133 /nfs/dbraw/zinc/89/11/33/1064891133.db2.gz XTAKFVPWKIRRGX-XCBNKYQSSA-N 0 0 451.264 4.901 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC001360057728 1064891568 /nfs/dbraw/zinc/89/15/68/1064891568.db2.gz RFDYBPZHSGYJHV-QFIPXVFZSA-N 0 0 452.551 4.814 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)c2nccs2)C1 ZINC001360057746 1064891621 /nfs/dbraw/zinc/89/16/21/1064891621.db2.gz NIHJLEMCNXNODR-WBVHZDCISA-N 0 0 493.475 4.558 20 0 JJADRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC001360057719 1064891688 /nfs/dbraw/zinc/89/16/88/1064891688.db2.gz QVQBBTMJEMAGEV-FQEVSTJZSA-N 0 0 455.946 4.897 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(CC1CCCCC1)c1ccccn1 ZINC001435630793 1064891826 /nfs/dbraw/zinc/89/18/26/1064891826.db2.gz BAGYRLVZPLCLKN-UHFFFAOYSA-N 0 0 455.624 4.873 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC001435630912 1064891926 /nfs/dbraw/zinc/89/19/26/1064891926.db2.gz FPAMSVRQLGEAHW-AREMUKBSSA-N 0 0 456.586 4.790 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc1I ZINC001360057962 1064892536 /nfs/dbraw/zinc/89/25/36/1064892536.db2.gz RERWUSHKHNFZDD-SFHVURJKSA-N 0 0 455.311 4.962 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCC2)C1 ZINC001360057886 1064892546 /nfs/dbraw/zinc/89/25/46/1064892546.db2.gz NOCPIFKKANGHKZ-IBGZPJMESA-N 0 0 480.451 4.636 20 0 JJADRN CC[C@H](CSc1ccccc1)NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C ZINC001435631262 1064892635 /nfs/dbraw/zinc/89/26/35/1064892635.db2.gz NCQXVNMQDCKUHG-DENIHFKCSA-N 0 0 458.624 4.818 20 0 JJADRN CCC(C)(C)c1ccc(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 ZINC001435632697 1064893218 /nfs/dbraw/zinc/89/32/18/1064893218.db2.gz SMJVKYROFDVEOR-UHFFFAOYSA-N 0 0 456.384 4.553 20 0 JJADRN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435632727 1064894153 /nfs/dbraw/zinc/89/41/53/1064894153.db2.gz QRZZSRBJYSMVMO-GOSISDBHSA-N 0 0 453.380 4.714 20 0 JJADRN CCC(C)(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)cc1 ZINC001435632894 1064894322 /nfs/dbraw/zinc/89/43/22/1064894322.db2.gz ULIVXGTZYJNMFN-WNCULLNHSA-N 0 0 452.595 4.807 20 0 JJADRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001435632729 1064894338 /nfs/dbraw/zinc/89/43/38/1064894338.db2.gz QRZZSRBJYSMVMO-SFHVURJKSA-N 0 0 453.380 4.714 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001360058507 1064894493 /nfs/dbraw/zinc/89/44/93/1064894493.db2.gz SCIXMWFQMRXFPA-LLBVYWAGSA-N 0 0 477.447 4.510 20 0 JJADRN CS(=O)(=O)c1cc(Br)ccc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC001435633499 1064894926 /nfs/dbraw/zinc/89/49/26/1064894926.db2.gz CPBRFGWQGRQBRX-CYBMUJFWSA-N 0 0 450.276 4.527 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)Oc1cccc(F)c1I ZINC001435633263 1064895075 /nfs/dbraw/zinc/89/50/75/1064895075.db2.gz DABJWNPPGPLOSI-UHFFFAOYSA-N 0 0 453.276 4.626 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001360058882 1064896870 /nfs/dbraw/zinc/89/68/70/1064896870.db2.gz XRDQYIHCDRYGTH-QTEAWJPNSA-N 0 0 497.503 4.506 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)c2ccco2)C1 ZINC001360058858 1064896942 /nfs/dbraw/zinc/89/69/42/1064896942.db2.gz XIQPYCKKFXWBLU-VFNWGFHPSA-N 0 0 495.443 4.521 20 0 JJADRN Cc1cccc(CN2CCCC[C@H]2C(=O)Oc2cccc(F)c2I)c1 ZINC001435635314 1064897357 /nfs/dbraw/zinc/89/73/57/1064897357.db2.gz VGVQNNLAWTUPQT-KRWDZBQOSA-N 0 0 453.295 4.699 20 0 JJADRN CCc1nc(NC(=O)c2cc(-c3ccc(Br)cc3)ns2)sc1C(=O)OC ZINC001435635734 1064897428 /nfs/dbraw/zinc/89/74/28/1064897428.db2.gz BMOLHYKFJXEGOP-UHFFFAOYSA-N 0 0 452.355 4.630 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)(C)C)C1 ZINC001360058915 1064897507 /nfs/dbraw/zinc/89/75/07/1064897507.db2.gz YNGJSSDYMQVIEF-LJQANCHMSA-N 0 0 452.546 4.613 20 0 JJADRN COc1cc(COCC(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)ccn1 ZINC001435636930 1064898249 /nfs/dbraw/zinc/89/82/49/1064898249.db2.gz LHXJTNDSAPMKPV-UHFFFAOYSA-N 0 0 450.882 4.634 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2CCCCO2)C1 ZINC001360059490 1064898226 /nfs/dbraw/zinc/89/82/26/1064898226.db2.gz HNVXBFWYJIFWAW-RTBURBONSA-N 0 0 477.447 4.918 20 0 JJADRN CCCN(CCc1cccc(F)c1)C(=O)CCOc1cccc(I)c1 ZINC001360059568 1064898300 /nfs/dbraw/zinc/89/83/00/1064898300.db2.gz CBMDRJOGELJWLV-UHFFFAOYSA-N 0 0 455.311 4.681 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(C3CC3)n2C[C@@H](F)c2ccc(Br)cc2)C1 ZINC001360059917 1064898918 /nfs/dbraw/zinc/89/89/18/1064898918.db2.gz KMZAOXPKOJWBBW-RBUKOAKNSA-N 0 0 451.384 4.880 20 0 JJADRN CC(C)CO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOC(C)(C)C)C1 ZINC001360059932 1064898970 /nfs/dbraw/zinc/89/89/70/1064898970.db2.gz KSLHWJCTWCLSMF-FQEVSTJZSA-N 0 0 453.587 4.667 20 0 JJADRN O=C(CCNC(=O)c1ccsc1)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001435638622 1064899707 /nfs/dbraw/zinc/89/97/07/1064899707.db2.gz GNQSQRZLEBMFJR-UHFFFAOYSA-N 0 0 452.923 4.896 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC001360060947 1064899771 /nfs/dbraw/zinc/89/97/71/1064899771.db2.gz RWUAROGKQXVTOB-IERDGZPVSA-N 0 0 453.336 4.713 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccoc1Br)[C@H](C)c1cccc(Br)c1 ZINC001435638949 1064899889 /nfs/dbraw/zinc/89/98/89/1064899889.db2.gz HGWGTFCNLVMLRB-LLVKDONJSA-N 0 0 459.134 4.571 20 0 JJADRN CCOC(=O)CN(C(=O)[C@H](C)Cc1ccc(F)cc1)[C@@H](C)c1cccc(Br)c1 ZINC001435639036 1064900377 /nfs/dbraw/zinc/90/03/77/1064900377.db2.gz IJWVEUSQKLCHKL-CVEARBPZSA-N 0 0 450.348 4.920 20 0 JJADRN O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001435639637 1064900424 /nfs/dbraw/zinc/90/04/24/1064900424.db2.gz OWEJDMCHCLWRCQ-KRWDZBQOSA-N 0 0 454.448 4.608 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1cnc(-c2ccc(Br)cc2)s1 ZINC001435639922 1064900443 /nfs/dbraw/zinc/90/04/43/1064900443.db2.gz PWOMOPNKQPYAPR-FZQKWOKYSA-N 0 0 466.275 4.523 20 0 JJADRN COc1cccc(Br)c1OC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC001435639640 1064900459 /nfs/dbraw/zinc/90/04/59/1064900459.db2.gz 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JJADRN CCOC(=O)CN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)[C@H](C)c1cccc(Br)c1 ZINC001435641802 1064902473 /nfs/dbraw/zinc/90/24/73/1064902473.db2.gz YZDXAULAGGOFEZ-MBOZVWFJSA-N 0 0 454.405 4.743 20 0 JJADRN CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](F)C2)C1 ZINC001360062103 1064902450 /nfs/dbraw/zinc/90/24/50/1064902450.db2.gz FZAIVXMZQNDCQU-GXRSIYKFSA-N 0 0 493.668 4.782 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)[C@@H](C)Sc1nc2ccccc2s1)C1CC1 ZINC001360062372 1064902603 /nfs/dbraw/zinc/90/26/03/1064902603.db2.gz GLYXYADSDHFRFH-OXQOHEQNSA-N 0 0 454.617 4.942 20 0 JJADRN CCOC(=O)CN(C(=O)c1ocnc1-c1ccccc1)[C@@H](C)c1cccc(Br)c1 ZINC001435642536 1064902539 /nfs/dbraw/zinc/90/25/39/1064902539.db2.gz ZRZJQVPAADNMER-HNNXBMFYSA-N 0 0 457.324 4.871 20 0 JJADRN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F ZINC001435642405 1064902700 /nfs/dbraw/zinc/90/27/00/1064902700.db2.gz GVMMQFIAJAXAFE-QGZVFWFLSA-N 0 0 459.514 4.623 20 0 JJADRN 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CC(C)CSCCn1c(-c2cc(Br)cn2C)nnc1N1CCSC(C)(C)C1 ZINC001360080263 1064937401 /nfs/dbraw/zinc/93/74/01/1064937401.db2.gz DOTPJCNCCDAOLW-UHFFFAOYSA-N 0 0 472.522 4.767 20 0 JJADRN COc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc(OC)c1Br ZINC001435691483 1064937943 /nfs/dbraw/zinc/93/79/43/1064937943.db2.gz RXBAURJHMJIFPK-UHFFFAOYSA-N 0 0 450.720 4.866 20 0 JJADRN COc1cc(CCC(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)on1 ZINC001435691908 1064938444 /nfs/dbraw/zinc/93/84/44/1064938444.db2.gz RUPJUPRCNQNZFC-LJQANCHMSA-N 0 0 452.404 4.710 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001360080500 1064938473 /nfs/dbraw/zinc/93/84/73/1064938473.db2.gz IYXDOJIPFFOFCF-JXFKEZNVSA-N 0 0 466.598 4.939 20 0 JJADRN CC(C)CSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001360080731 1064938823 /nfs/dbraw/zinc/93/88/23/1064938823.db2.gz PYNKFDVNWPUXAM-NRFANRHFSA-N 0 0 491.105 4.570 20 0 JJADRN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001435692127 1064938829 /nfs/dbraw/zinc/93/88/29/1064938829.db2.gz YFBCMEQDNNTNHT-IEBWSBKVSA-N 0 0 457.343 4.693 20 0 JJADRN COCCn1ccc2ccc(NC(=O)c3cc(C)n(-c4ccccc4Br)n3)cc21 ZINC001435692340 1064938944 /nfs/dbraw/zinc/93/89/44/1064938944.db2.gz QOYOBNIZMHKYKY-UHFFFAOYSA-N 0 0 453.340 4.797 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3cc(Br)nn3-c3ncccc3Cl)CC2)c1 ZINC001435693003 1064939346 /nfs/dbraw/zinc/93/93/46/1064939346.db2.gz BXLVNQJQPBNMOE-UHFFFAOYSA-N 0 0 457.759 4.921 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1 ZINC001435692837 1064939452 /nfs/dbraw/zinc/93/94/52/1064939452.db2.gz UVOUGNYKQWFQGU-APPDUMDISA-N 0 0 457.162 4.726 20 0 JJADRN Cn1nnc2ccc(C(=O)N[C@H](COc3cccc(F)c3)c3cccc(C(F)(F)F)c3)cc21 ZINC001435692584 1064939471 /nfs/dbraw/zinc/93/94/71/1064939471.db2.gz XOPODTKCEPGEAK-HXUWFJFHSA-N 0 0 458.415 4.676 20 0 JJADRN COc1cc(Br)cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1 ZINC001435692854 1064939553 /nfs/dbraw/zinc/93/95/53/1064939553.db2.gz UVOUGNYKQWFQGU-DIFFPNOSSA-N 0 0 457.162 4.726 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CO1 ZINC001435693140 1064940292 /nfs/dbraw/zinc/94/02/92/1064940292.db2.gz CJPSJNYEVVBYAK-ICSRJNTNSA-N 0 0 455.517 4.938 20 0 JJADRN CC(C)CSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001360080999 1064940115 /nfs/dbraw/zinc/94/01/15/1064940115.db2.gz XVMGLXXUFSXESZ-UHFFFAOYSA-N 0 0 496.768 4.678 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC001360081209 1064940420 /nfs/dbraw/zinc/94/04/20/1064940420.db2.gz FELQHKBVHSUNCV-JXFKEZNVSA-N 0 0 451.405 4.612 20 0 JJADRN CC(C)(C)c1csc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC001360081584 1064940866 /nfs/dbraw/zinc/94/08/66/1064940866.db2.gz NUAOSAQPXUASMV-UHFFFAOYSA-N 0 0 450.402 4.694 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)CC2)c1 ZINC001435694925 1064941476 /nfs/dbraw/zinc/94/14/76/1064941476.db2.gz NULHJQQAWUIGRA-OYRHEFFESA-N 0 0 452.620 4.591 20 0 JJADRN CC(C)(C)[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)C(=O)OCc1ccccc1 ZINC001435695246 1064942140 /nfs/dbraw/zinc/94/21/40/1064942140.db2.gz RHUODNDPAMOWJH-HXUWFJFHSA-N 0 0 459.468 4.779 20 0 JJADRN CCn1c(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2ccc(F)cc21 ZINC001435696019 1064942855 /nfs/dbraw/zinc/94/28/55/1064942855.db2.gz AZIXCUYYEYTBJX-GFCCVEGCSA-N 0 0 459.572 4.783 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001360082849 1064942932 /nfs/dbraw/zinc/94/29/32/1064942932.db2.gz NYWBJVDYSORLHD-VQTJNVASSA-N 0 0 469.026 4.511 20 0 JJADRN CC(C)CSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001360083011 1064944177 /nfs/dbraw/zinc/94/41/77/1064944177.db2.gz SZYBYLHFCJDSPD-HSZRJFAPSA-N 0 0 465.063 4.762 20 0 JJADRN CC(C)CSCCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360083157 1064944602 /nfs/dbraw/zinc/94/46/02/1064944602.db2.gz YTQKVBCCFSPUNB-SFHVURJKSA-N 0 0 465.545 4.650 20 0 JJADRN Cc1cc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)nn1-c1cccc(F)c1 ZINC001435698839 1064945115 /nfs/dbraw/zinc/94/51/15/1064945115.db2.gz BXPBQTVMIIGVFE-OAQYLSRUSA-N 0 0 457.347 4.858 20 0 JJADRN CC(C)c1c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cnn1-c1ccccc1 ZINC001435699005 1064945170 /nfs/dbraw/zinc/94/51/70/1064945170.db2.gz HDASUDTXUGVHKF-HXUWFJFHSA-N 0 0 457.361 4.838 20 0 JJADRN CC(C)CSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCSC[C@@H]1C ZINC001360083587 1064945366 /nfs/dbraw/zinc/94/53/66/1064945366.db2.gz LMCLSNYMTQRQPB-SFHVURJKSA-N 0 0 486.711 4.567 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001360083931 1064945817 /nfs/dbraw/zinc/94/58/17/1064945817.db2.gz VXEJBVGTAXORMI-SFHVURJKSA-N 0 0 474.625 4.824 20 0 JJADRN CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001360083859 1064945962 /nfs/dbraw/zinc/94/59/62/1064945962.db2.gz UJFYYTZPRCRHHU-HXUWFJFHSA-N 0 0 477.581 4.842 20 0 JJADRN CC(C)CSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001360084054 1064946562 /nfs/dbraw/zinc/94/65/62/1064946562.db2.gz YAJYMCINUWQWNI-UHFFFAOYSA-N 0 0 461.720 4.944 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC001360084737 1064946614 /nfs/dbraw/zinc/94/66/14/1064946614.db2.gz PXYZLVRGEAMXMS-BGYRXZFFSA-N 0 0 452.570 4.841 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)CS3)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001435702119 1064946752 /nfs/dbraw/zinc/94/67/52/1064946752.db2.gz RWFQTJABMOBCIF-OXJNMPFZSA-N 0 0 454.592 4.969 20 0 JJADRN CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC001435701239 1064946798 /nfs/dbraw/zinc/94/67/98/1064946798.db2.gz QHDSBMGOTSQQMQ-KHYOSLBOSA-N 0 0 458.430 4.874 20 0 JJADRN COc1ccc(-c2nc(CC(=O)Nc3cc(C)n(-c4cccc(F)c4)n3)cs2)cc1OC ZINC001435701603 1064946949 /nfs/dbraw/zinc/94/69/49/1064946949.db2.gz YTQUXXTUIIZJFR-UHFFFAOYSA-N 0 0 452.511 4.642 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC001360085204 1064947132 /nfs/dbraw/zinc/94/71/32/1064947132.db2.gz QIIOFGTZIHUWFE-UHFFFAOYSA-N 0 0 458.530 4.841 20 0 JJADRN O=C(Cc1cccc(I)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC001360085069 1064947154 /nfs/dbraw/zinc/94/71/54/1064947154.db2.gz XTVVJSYYRHGYIB-QGZVFWFLSA-N 0 0 457.764 4.804 20 0 JJADRN O=C(Cc1cccc(I)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC001360085068 1064947281 /nfs/dbraw/zinc/94/72/81/1064947281.db2.gz XTVVJSYYRHGYIB-KRWDZBQOSA-N 0 0 457.764 4.804 20 0 JJADRN CC1(C)C[C@H](NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C(C)(C)O1 ZINC001435703087 1064947290 /nfs/dbraw/zinc/94/72/90/1064947290.db2.gz KUMWCJGJMGOZEA-INIZCTEOSA-N 0 0 457.621 4.759 20 0 JJADRN CCCCn1cc(CNC(=O)Cc2csc(-c3sccc3Br)n2)c(C)n1 ZINC001435702631 1064947444 /nfs/dbraw/zinc/94/74/44/1064947444.db2.gz YZCFHAICRVAASC-UHFFFAOYSA-N 0 0 453.431 4.798 20 0 JJADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC001435704438 1064947927 /nfs/dbraw/zinc/94/79/27/1064947927.db2.gz LUWPMWXKKWIAHR-WOJBJXKFSA-N 0 0 452.570 4.747 20 0 JJADRN C[C@H]1Oc2ccccc2N(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)C1=O ZINC001435704665 1064948080 /nfs/dbraw/zinc/94/80/80/1064948080.db2.gz DQLFWOWUPPSZFA-CQSZACIVSA-N 0 0 453.391 4.547 20 0 JJADRN CC(C)CSCCn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001360085786 1064948309 /nfs/dbraw/zinc/94/83/09/1064948309.db2.gz IXALOVHGHFVGFI-LJQANCHMSA-N 0 0 467.724 4.995 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001360085788 1064948379 /nfs/dbraw/zinc/94/83/79/1064948379.db2.gz IXJQAHRVYJHOCK-NHCUHLMSSA-N 0 0 495.734 4.645 20 0 JJADRN CC(C)CSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001360085935 1064948932 /nfs/dbraw/zinc/94/89/32/1064948932.db2.gz MMPOMHBFULTTFQ-NZQKXSOJSA-N 0 0 451.640 4.620 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1 ZINC001435706355 1064949018 /nfs/dbraw/zinc/94/90/18/1064949018.db2.gz PXICCTJEDBHMMW-QFIPXVFZSA-N 0 0 454.611 4.777 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C1 ZINC001360086096 1064949305 /nfs/dbraw/zinc/94/93/05/1064949305.db2.gz PQPWEQHKOAQDRY-RBUKOAKNSA-N 0 0 451.681 4.628 20 0 JJADRN CC(C)CSCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360086101 1064949372 /nfs/dbraw/zinc/94/93/72/1064949372.db2.gz PSZCROLZWZVORO-SFHVURJKSA-N 0 0 466.717 4.857 20 0 JJADRN CC(C)CSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001360086432 1064949921 /nfs/dbraw/zinc/94/99/21/1064949921.db2.gz YHVYPXICXYFUTA-HSALFYBXSA-N 0 0 465.708 4.874 20 0 JJADRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001435711442 1064950998 /nfs/dbraw/zinc/95/09/98/1064950998.db2.gz YZQJKBRRPPPLRG-OAQYLSRUSA-N 0 0 452.432 4.781 20 0 JJADRN CC(C)CSCCn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001360087066 1064950929 /nfs/dbraw/zinc/95/09/29/1064950929.db2.gz LRZPESXDLIPKMA-SFHVURJKSA-N 0 0 477.078 4.523 20 0 JJADRN CC(C)CSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C ZINC001360086658 1064951067 /nfs/dbraw/zinc/95/10/67/1064951067.db2.gz DQDNHBFPNUHENU-UHFFFAOYSA-N 0 0 472.062 4.763 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)c3csc(Br)c3)cc2C1 ZINC001435712741 1064951516 /nfs/dbraw/zinc/95/15/16/1064951516.db2.gz BUHZKRNTWVJPQA-CYBMUJFWSA-N 0 0 452.374 4.540 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Nc3cccc(CSC4CCOCC4)c3)CC2=O)c1 ZINC001360087241 1064951645 /nfs/dbraw/zinc/95/16/45/1064951645.db2.gz JAPWVORQDLVNBD-SFHVURJKSA-N 0 0 456.633 4.812 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1 ZINC001435713843 1064951808 /nfs/dbraw/zinc/95/18/08/1064951808.db2.gz IUOHSYVZFFDYNL-JLMWRMLUSA-N 0 0 451.567 4.605 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Oc3cc(Cl)cnc3Br)cc2C1 ZINC001435713504 1064951961 /nfs/dbraw/zinc/95/19/61/1064951961.db2.gz NTKRXARYFIOKHD-UHFFFAOYSA-N 0 0 453.720 4.967 20 0 JJADRN CC(C)CSCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001360087555 1064952647 /nfs/dbraw/zinc/95/26/47/1064952647.db2.gz UYIRHMQHLBSESR-UHFFFAOYSA-N 0 0 464.683 4.758 20 0 JJADRN O=C(CSCc1ccc(Cl)cc1Cl)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001435716856 1064953044 /nfs/dbraw/zinc/95/30/44/1064953044.db2.gz FGWLETOIIMKXJM-SFHVURJKSA-N 0 0 455.451 4.868 20 0 JJADRN O=C(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(Cl)cc1Sc1ccc(Cl)cc1 ZINC001435716057 1064953072 /nfs/dbraw/zinc/95/30/72/1064953072.db2.gz FVDBRYURRSMSEC-MRXNPFEDSA-N 0 0 454.375 4.797 20 0 JJADRN CC1CCC2(CC1)OC[C@H](CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)O2 ZINC001435716527 1064953084 /nfs/dbraw/zinc/95/30/84/1064953084.db2.gz JIWGIYJSIUDVJU-GCULGPDHSA-N 0 0 454.258 4.659 20 0 JJADRN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)C1 ZINC001435718416 1064953299 /nfs/dbraw/zinc/95/32/99/1064953299.db2.gz OEZQKPRALYFLIQ-SFHVURJKSA-N 0 0 459.359 4.810 20 0 JJADRN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001435717585 1064953518 /nfs/dbraw/zinc/95/35/18/1064953518.db2.gz LBTKFDDRKNVZSX-SFHVURJKSA-N 0 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ZINC001435766660 1064982429 /nfs/dbraw/zinc/98/24/29/1064982429.db2.gz RBDNIBFVSNORDH-LBPRGKRZSA-N 0 0 456.465 4.583 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)cc1)C(C)C ZINC001360102241 1064982491 /nfs/dbraw/zinc/98/24/91/1064982491.db2.gz COOZLHWNYSTJLT-JOCHJYFZSA-N 0 0 457.615 4.809 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001435766938 1064982910 /nfs/dbraw/zinc/98/29/10/1064982910.db2.gz VCHFSHFJYQVWIL-QMIHWGKISA-N 0 0 452.979 4.829 20 0 JJADRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001435766935 1064982927 /nfs/dbraw/zinc/98/29/27/1064982927.db2.gz VCHFSHFJYQVWIL-DCPHZVHLSA-N 0 0 452.979 4.829 20 0 JJADRN O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(COc2ccc(Br)cc2)o1 ZINC001435767833 1064983459 /nfs/dbraw/zinc/98/34/59/1064983459.db2.gz BMGPQNQORIVYNY-NJAFHUGGSA-N 0 0 454.411 4.731 20 0 JJADRN C[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CCN1CC(F)(F)F ZINC001435768258 1064983584 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IIXGHYWSQNSMAC-HIFRSBDPSA-N 0 0 454.876 4.810 20 0 JJADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O[C@H](C)c2ccccc2F)cc1 ZINC001435771556 1064985375 /nfs/dbraw/zinc/98/53/75/1064985375.db2.gz CHLGAKZSDXYRSG-KOSHJBKYSA-N 0 0 453.535 4.554 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CC(c3cc(C)ccc3C)=NO2)nn1CCCOc1ccc(F)cc1 ZINC001435770877 1064985486 /nfs/dbraw/zinc/98/54/86/1064985486.db2.gz YYBGGSAZERQHEG-HSZRJFAPSA-N 0 0 450.514 4.548 20 0 JJADRN CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1)N1C(=O)c2ccccc2C1=O ZINC001435773244 1064985899 /nfs/dbraw/zinc/98/58/99/1064985899.db2.gz BXUSJAOGHUJMHB-QVKFZJNVSA-N 0 0 450.535 4.600 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)CCC2)cc1 ZINC001435774135 1064985955 /nfs/dbraw/zinc/98/59/55/1064985955.db2.gz NFYWQMVJVUHKGW-UHFFFAOYSA-N 0 0 454.014 4.668 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)CCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC001435772814 1064986175 /nfs/dbraw/zinc/98/61/75/1064986175.db2.gz ABVGGEPIJAMGRR-SFHVURJKSA-N 0 0 456.739 4.985 20 0 JJADRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc(C(F)F)n(C)n1 ZINC001360105066 1064986874 /nfs/dbraw/zinc/98/68/74/1064986874.db2.gz QILIRVHNLKSATD-UHFFFAOYSA-N 0 0 452.811 4.519 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1)c1ccc(Br)cc1 ZINC001435779877 1064988357 /nfs/dbraw/zinc/98/83/57/1064988357.db2.gz XYKBIPUUSIOTKA-KNTRFNDTSA-N 0 0 454.405 4.934 20 0 JJADRN CS(=O)(=O)c1ccccc1CC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC001435779943 1064988461 /nfs/dbraw/zinc/98/84/61/1064988461.db2.gz FEMFIRLNCTZDLV-UHFFFAOYSA-N 0 0 456.269 4.519 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCc3ccc(Cl)cc3C2)CC1 ZINC001435779910 1064988520 /nfs/dbraw/zinc/98/85/20/1064988520.db2.gz PBQNLIZDIKBNCR-UHFFFAOYSA-N 0 0 450.888 4.796 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)NCCOc1cccc(C(F)(F)F)n1 ZINC001435780242 1064989077 /nfs/dbraw/zinc/98/90/77/1064989077.db2.gz IWKBYVXPALSCFZ-UHFFFAOYSA-N 0 0 459.287 4.815 20 0 JJADRN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001360107874 1064989570 /nfs/dbraw/zinc/98/95/70/1064989570.db2.gz GETYPJJUWLEBBN-NRFANRHFSA-N 0 0 451.567 4.534 20 0 JJADRN CN(CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)OCc1ccccc1 ZINC001360108439 1064990287 /nfs/dbraw/zinc/99/02/87/1064990287.db2.gz WYRGQHAYPLXJTA-IBGZPJMESA-N 0 0 453.539 4.711 20 0 JJADRN CCCc1c(C(=O)N2CCC(OCCc3ccccc3)CC2)nnn1-c1cccc(Cl)c1 ZINC001360108953 1064990326 /nfs/dbraw/zinc/99/03/26/1064990326.db2.gz OPTWWPSQEZQZCY-UHFFFAOYSA-N 0 0 452.986 4.737 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)sc1Br)c1ccc([S@](C)=O)cc1 ZINC001435784299 1064990968 /nfs/dbraw/zinc/99/09/68/1064990968.db2.gz VDXGRUKJVQOBNO-ZEDNOMKYSA-N 0 0 451.205 4.502 20 0 JJADRN Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)CCC2 ZINC001360109171 1064990999 /nfs/dbraw/zinc/99/09/99/1064990999.db2.gz WEKCYTAFJPSPLX-FQEVSTJZSA-N 0 0 457.368 4.838 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnn2cccc(Br)c12 ZINC001435786358 1064991546 /nfs/dbraw/zinc/99/15/46/1064991546.db2.gz FRLKUCGUKLCFPI-HNNXBMFYSA-N 0 0 457.372 4.593 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)O[C@H](C)c1cccc(OC(F)F)c1 ZINC001435788330 1064992044 /nfs/dbraw/zinc/99/20/44/1064992044.db2.gz GGELJQRMVCXBJE-ACJLOTCBSA-N 0 0 453.869 4.859 20 0 JJADRN CC(C)Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1-c1ccccc1 ZINC001435788087 1064992071 /nfs/dbraw/zinc/99/20/71/1064992071.db2.gz ULQZTUFGYMHXBR-UHFFFAOYSA-N 0 0 451.470 4.752 20 0 JJADRN Cc1cccc([C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)c1 ZINC001435788223 1064992089 /nfs/dbraw/zinc/99/20/89/1064992089.db2.gz FCLPUZJWTUSPGE-QFBILLFUSA-N 0 0 453.398 4.655 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001435788050 1064992121 /nfs/dbraw/zinc/99/21/21/1064992121.db2.gz TXUDAVOVHOMVHD-UHFFFAOYSA-N 0 0 458.364 4.698 20 0 JJADRN C[C@H](OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cnccn1 ZINC001435788806 1064992204 /nfs/dbraw/zinc/99/22/04/1064992204.db2.gz YDHFCGNGPUEJRL-HNNXBMFYSA-N 0 0 451.939 4.774 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc2ccccc2c1 ZINC001435792997 1064992858 /nfs/dbraw/zinc/99/28/58/1064992858.db2.gz WKFVVQYPEFVHPU-JOCHJYFZSA-N 0 0 458.514 4.942 20 0 JJADRN CCOC(=O)C1(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CCCC1 ZINC001435792516 1064993131 /nfs/dbraw/zinc/99/31/31/1064993131.db2.gz RTZGUJPHWDCFOV-OAQYLSRUSA-N 0 0 454.567 4.645 20 0 JJADRN O=C(Cc1csc(Cc2ccccc2)n1)OCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001435794738 1064994132 /nfs/dbraw/zinc/99/41/32/1064994132.db2.gz MXJSZZZUGIDJHH-UHFFFAOYSA-N 0 0 459.358 4.907 20 0 JJADRN O=C(NC1(c2noc(CC3CCCC3)n2)CCCCCC1)c1cnn(CCC(F)(F)F)c1 ZINC001435795325 1064994210 /nfs/dbraw/zinc/99/42/10/1064994210.db2.gz BPGPEMKLJRGBIU-UHFFFAOYSA-N 0 0 453.509 4.931 20 0 JJADRN CCCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001360113065 1064994919 /nfs/dbraw/zinc/99/49/19/1064994919.db2.gz WUTSKFYKBATXFF-QFIPXVFZSA-N 0 0 451.567 4.801 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)OCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001435798315 1064995752 /nfs/dbraw/zinc/99/57/52/1064995752.db2.gz RHWUQDPGFCSTDW-UHFFFAOYSA-N 0 0 450.713 4.795 20 0 JJADRN CN(C)[C@@H](C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1c(F)cccc1Cl ZINC001435798443 1064996371 /nfs/dbraw/zinc/99/63/71/1064996371.db2.gz SQTONCOIBRXZET-GOSISDBHSA-N 0 0 457.720 4.713 20 0 JJADRN O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC001435799074 1064996414 /nfs/dbraw/zinc/99/64/14/1064996414.db2.gz GRTDBNHJWVZQFR-UHFFFAOYSA-N 0 0 450.789 4.870 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 ZINC001360114221 1064997107 /nfs/dbraw/zinc/99/71/07/1064997107.db2.gz ZQRNPAVIKHCWOZ-DEOSSOPVSA-N 0 0 451.571 4.863 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)CSc4ccccc43)cc2)C1 ZINC001435799246 1064997026 /nfs/dbraw/zinc/99/70/26/1064997026.db2.gz SRMZPLOQWPZIDR-QRVBRYPASA-N 0 0 458.649 4.742 20 0 JJADRN O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001435799604 1064997039 /nfs/dbraw/zinc/99/70/39/1064997039.db2.gz OTPFXXNNLTXZDV-UHFFFAOYSA-N 0 0 457.357 4.696 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C3CCC3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001435800435 1064997051 /nfs/dbraw/zinc/99/70/51/1064997051.db2.gz HPLNMCKKVJHDMC-HBTLOVQCSA-N 0 0 450.579 4.801 20 0 JJADRN O=C(OCc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001435799795 1064997081 /nfs/dbraw/zinc/99/70/81/1064997081.db2.gz YEOHBVPIPGUKIB-ZDUSSCGKSA-N 0 0 451.741 4.797 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360114117 1064997292 /nfs/dbraw/zinc/99/72/92/1064997292.db2.gz WTJFRTVBIOOOJK-UHFFFAOYSA-N 0 0 468.577 4.761 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NCc1ccc(Br)cc1C(F)(F)F)C2 ZINC001435800537 1064997558 /nfs/dbraw/zinc/99/75/58/1064997558.db2.gz JNMLUUJMTICTBY-IBGZPJMESA-N 0 0 456.258 4.564 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H](C)CSc3ccccc32)c1 ZINC001435800465 1064997798 /nfs/dbraw/zinc/99/77/98/1064997798.db2.gz JUFGRUBEUPEXDV-XLIONFOSSA-N 0 0 456.608 4.906 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1=O ZINC001360115068 1064997907 /nfs/dbraw/zinc/99/79/07/1064997907.db2.gz INLYKYAJVYJPQS-BJLQDIEVSA-N 0 0 454.542 4.889 20 0 JJADRN O=C(COc1ccccc1NC(=O)[C@H](OCC1CCCC1)c1ccccc1)Nc1cccnc1 ZINC001435801745 1064998198 /nfs/dbraw/zinc/99/81/98/1064998198.db2.gz CHNWVQBRWWJSMD-AREMUKBSSA-N 0 0 459.546 4.986 20 0 JJADRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)C(F)(F)c1ncccc1Br ZINC001435801560 1064998333 /nfs/dbraw/zinc/99/83/33/1064998333.db2.gz ZPIXAEQMKSZVCT-UHFFFAOYSA-N 0 0 454.658 4.787 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)nnn1-c1ccc(F)c(F)c1 ZINC001435800878 1064998367 /nfs/dbraw/zinc/99/83/67/1064998367.db2.gz PDKCDUYDLWYKTL-OAQYLSRUSA-N 0 0 453.880 4.616 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(Br)n1 ZINC001360115651 1064998540 /nfs/dbraw/zinc/99/85/40/1064998540.db2.gz FHONKRGAFQAMAI-QGZVFWFLSA-N 0 0 474.378 4.542 20 0 JJADRN O=C(COc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1)Nc1cccnc1 ZINC001435801940 1064998728 /nfs/dbraw/zinc/99/87/28/1064998728.db2.gz HUFYNKBFHWHBPQ-UHFFFAOYSA-N 0 0 453.498 4.930 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cn[nH]c1 ZINC001360115905 1064999083 /nfs/dbraw/zinc/99/90/83/1064999083.db2.gz NRKQHFRLGVSLGD-FGZHOGPDSA-N 0 0 454.594 4.717 20 0 JJADRN CC(C)N(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOC(C)(C)C ZINC001360116131 1064999529 /nfs/dbraw/zinc/99/95/29/1064999529.db2.gz VPYVOXQPWMAUOG-UHFFFAOYSA-N 0 0 495.647 4.821 20 0 JJADRN O=C(c1cnc(Br)c(Cl)c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC001435802713 1065000194 /nfs/dbraw/zinc/00/01/94/1065000194.db2.gz IGIVMXQBUWTQLB-UHFFFAOYSA-N 0 0 453.764 4.588 20 0 JJADRN COc1ccc(N(C)C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)nc1 ZINC001435804606 1065001048 /nfs/dbraw/zinc/00/10/48/1065001048.db2.gz LIFGCSBXANABJZ-BKMJKUGQSA-N 0 0 459.546 4.555 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)c(C)c2)ccc1OC ZINC001435804641 1065001071 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PPNJLHQBDYDXRA-AREMUKBSSA-N 0 0 454.636 4.760 20 0 JJADRN O=C(OCc1cc(Cl)cc2c1OCC2)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001435864557 1065031683 /nfs/dbraw/zinc/03/16/83/1065031683.db2.gz MQOHNKFFIHAHNX-LJQANCHMSA-N 0 0 450.760 4.918 20 0 JJADRN Cc1cc(OCc2ccccc2)ccc1NC(=O)c1csc(I)n1 ZINC001360135388 1065031648 /nfs/dbraw/zinc/03/16/48/1065031648.db2.gz YWLMJYCCHBSJSU-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)c1ccc(C)cc1 ZINC001360136246 1065032560 /nfs/dbraw/zinc/03/25/60/1065032560.db2.gz FYHKBGYKWRJZDH-NYVOZVTQSA-N 0 0 458.624 4.742 20 0 JJADRN CC(C)N1CCc2nc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)sc2C1 ZINC001435866727 1065033845 /nfs/dbraw/zinc/03/38/45/1065033845.db2.gz XNMAHIUYTLHMCC-UHFFFAOYSA-N 0 0 458.628 4.571 20 0 JJADRN O=C(c1cccc(S(=O)(=O)C(F)(F)F)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867269 1065034427 /nfs/dbraw/zinc/03/44/27/1065034427.db2.gz FCSQVKALVSLUCU-AWEZNQCLSA-N 0 0 451.388 4.629 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC001435868364 1065034688 /nfs/dbraw/zinc/03/46/88/1065034688.db2.gz DCSRCTKSNJWRJM-UHFFFAOYSA-N 0 0 456.539 4.798 20 0 JJADRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC001435869324 1065035622 /nfs/dbraw/zinc/03/56/22/1065035622.db2.gz ITCHOENERQYFTK-XDHUDOTRSA-N 0 0 454.617 4.944 20 0 JJADRN CC[C@H]1[C@H](C(=O)Nc2cccc(I)c2C)CCN1C(=O)OC(C)(C)C ZINC001435870508 1065035717 /nfs/dbraw/zinc/03/57/17/1065035717.db2.gz RTJBCJYTEQSRKM-CJNGLKHVSA-N 0 0 458.340 4.574 20 0 JJADRN O=C(NCc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)cc1)c1cccs1 ZINC001435870954 1065036079 /nfs/dbraw/zinc/03/60/79/1065036079.db2.gz FXTJOKFRQOYQAZ-UHFFFAOYSA-N 0 0 455.377 4.639 20 0 JJADRN CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c(C)nn(Cc2ccccc2)c1C ZINC001435870844 1065036277 /nfs/dbraw/zinc/03/62/77/1065036277.db2.gz SCHUXXFKABSUAU-VWBWNGLSSA-N 0 0 451.611 4.875 20 0 JJADRN O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1nc2cc(F)c(Br)cc2s1 ZINC001435871749 1065036773 /nfs/dbraw/zinc/03/67/73/1065036773.db2.gz RSYKVFVWOIUNMN-LBPRGKRZSA-N 0 0 451.317 4.547 20 0 JJADRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1sc(C)cc1Br ZINC001435872566 1065037145 /nfs/dbraw/zinc/03/71/45/1065037145.db2.gz TXTMXIZKXAFLAQ-OAQYLSRUSA-N 0 0 450.398 4.529 20 0 JJADRN Cc1ccc([C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)C2)cc1 ZINC001435873646 1065037552 /nfs/dbraw/zinc/03/75/52/1065037552.db2.gz VTNMZEBRNKNFFP-DEOSSOPVSA-N 0 0 454.636 4.535 20 0 JJADRN CC[C@]1(C(=O)Nc2cccc(I)c2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001435873643 1065037581 /nfs/dbraw/zinc/03/75/81/1065037581.db2.gz YHDUSDWCCBRPDR-IBGZPJMESA-N 0 0 458.340 4.575 20 0 JJADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001435873756 1065037776 /nfs/dbraw/zinc/03/77/76/1065037776.db2.gz MROHOLSCMGYCNY-OAHLLOKOSA-N 0 0 457.489 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC001435874926 1065038423 /nfs/dbraw/zinc/03/84/23/1065038423.db2.gz HKDKWAPRJQPLMJ-NRFANRHFSA-N 0 0 456.926 4.778 20 0 JJADRN COC(=O)c1nc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)sc1C1CC1 ZINC001435875346 1065038435 /nfs/dbraw/zinc/03/84/35/1065038435.db2.gz NYJXQRXXRDMDGI-UHFFFAOYSA-N 0 0 455.584 4.991 20 0 JJADRN CCCCN1C(=O)C[C@@H](C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001435876406 1065039503 /nfs/dbraw/zinc/03/95/03/1065039503.db2.gz WJYLFSAJBIKIQP-YJGRUCBDSA-N 0 0 458.986 4.622 20 0 JJADRN O=C(NCCc1ccc2c(c1)CCO2)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001435877586 1065039657 /nfs/dbraw/zinc/03/96/57/1065039657.db2.gz GCOFQQJVCADOSU-HSZRJFAPSA-N 0 0 452.348 4.863 20 0 JJADRN CC[C@H](Sc1ccccc1)C(=O)N(CCC(=O)OC)Cc1cccc(Br)c1 ZINC001435878675 1065039978 /nfs/dbraw/zinc/03/99/78/1065039978.db2.gz DKBFPRORZVILMD-IBGZPJMESA-N 0 0 450.398 4.912 20 0 JJADRN COc1cccc2c1[C@H](C(=O)Nc1cc(OC)c(Br)cc1Br)CC2 ZINC001435879544 1065040402 /nfs/dbraw/zinc/04/04/02/1065040402.db2.gz DFZMJDOKKNFWBR-LLVKDONJSA-N 0 0 455.146 4.897 20 0 JJADRN COc1cc(NC(=O)Cc2cn(C)c3ccccc23)c(Br)cc1Br ZINC001435879752 1065040446 /nfs/dbraw/zinc/04/04/46/1065040446.db2.gz GATJCGDAAJXGHS-UHFFFAOYSA-N 0 0 452.146 4.893 20 0 JJADRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)CCSc1ccc(F)cc1 ZINC001435879648 1065040561 /nfs/dbraw/zinc/04/05/61/1065040561.db2.gz MNSQSKHTGSXYPM-UHFFFAOYSA-N 0 0 454.361 4.662 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(Br)c(C)s2)cc(Br)c1F ZINC001435880564 1065040865 /nfs/dbraw/zinc/04/08/65/1065040865.db2.gz LOARISSVADNTNE-UHFFFAOYSA-N 0 0 451.111 4.760 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(OC(F)(F)F)cc3)s2)o1 ZINC001435881136 1065041551 /nfs/dbraw/zinc/04/15/51/1065041551.db2.gz WFEGHTNCQPXJTH-GOSISDBHSA-N 0 0 450.438 4.528 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ncnc2c1c(C)c(C)n2-c1ccc(C)cc1)c1ccc(C)cc1 ZINC001435881426 1065041948 /nfs/dbraw/zinc/04/19/48/1065041948.db2.gz JEDNLEUOLUSRGS-QHCPKHFHSA-N 0 0 455.562 4.860 20 0 JJADRN CC(=O)N[C@H](CC(=O)Nc1ncnc2c1c(C)c(C)n2-c1ccc(C)cc1)c1ccc(C)cc1 ZINC001435881425 1065042073 /nfs/dbraw/zinc/04/20/73/1065042073.db2.gz JEDNLEUOLUSRGS-HSZRJFAPSA-N 0 0 455.562 4.860 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)[C@H]1CCC[C@H](C(=O)OC)C1)C1CC1 ZINC001435881833 1065042421 /nfs/dbraw/zinc/04/24/21/1065042421.db2.gz MMYZBKOEWPCJTK-NJSLBKSFSA-N 0 0 456.366 4.568 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C)Cc1cc(Br)ccc1Cl ZINC001435885297 1065043967 /nfs/dbraw/zinc/04/39/67/1065043967.db2.gz PAIWSOUQDXLLBE-UHFFFAOYSA-N 0 0 452.702 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)CC1CCCCC1 ZINC001435886422 1065044496 /nfs/dbraw/zinc/04/44/96/1065044496.db2.gz YHOCEHPIWBHFQL-RTWAWAEBSA-N 0 0 457.615 4.552 20 0 JJADRN CCn1cc(-c2ccc(OC(=O)[C@H](CCOC)Cc3cccc(Br)c3)cc2)nn1 ZINC001435886619 1065044577 /nfs/dbraw/zinc/04/45/77/1065044577.db2.gz CYCNFSYPYUIUNE-GOSISDBHSA-N 0 0 458.356 4.528 20 0 JJADRN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C ZINC001435886127 1065044589 /nfs/dbraw/zinc/04/45/89/1065044589.db2.gz WPZHJKKFNHBTOJ-MSOLQXFVSA-N 0 0 455.368 4.725 20 0 JJADRN CC[C@@H](CN(C)C(=O)CCCn1c(=O)oc2ccccc21)Oc1ccc(Cl)c(Cl)c1 ZINC001435888465 1065045581 /nfs/dbraw/zinc/04/55/81/1065045581.db2.gz CPLOGZSJTYJMCV-HNNXBMFYSA-N 0 0 451.350 4.998 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H](C)Oc1ccccc1C ZINC001545893949 1065045910 /nfs/dbraw/zinc/04/59/10/1065045910.db2.gz LIZZHPGSWJBCAN-ZWKOTPCHSA-N 0 0 481.563 4.751 20 0 JJADRN CC[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Oc1ccc(Cl)c(Cl)c1 ZINC001435890691 1065047516 /nfs/dbraw/zinc/04/75/16/1065047516.db2.gz WGLVUHMXDFPVFU-HUUCEWRRSA-N 0 0 453.341 4.801 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 ZINC001435890627 1065047685 /nfs/dbraw/zinc/04/76/85/1065047685.db2.gz OXUZLWDLGDADLX-KONPVMDUSA-N 0 0 459.439 4.867 20 0 JJADRN O=C(Oc1cc(F)cc(I)c1)c1cc(F)c(Br)cc1F ZINC001435892284 1065048443 /nfs/dbraw/zinc/04/84/43/1065048443.db2.gz AHANXRHHYYXXRR-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN Cc1cc(OC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cc(C)c1Br ZINC001435892281 1065048622 /nfs/dbraw/zinc/04/86/22/1065048622.db2.gz AQIVKGQYZYTDEX-UHFFFAOYSA-N 0 0 452.349 4.950 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC001435893571 1065049369 /nfs/dbraw/zinc/04/93/69/1065049369.db2.gz BIZILTUQXJAJPD-UHFFFAOYSA-N 0 0 459.917 4.646 20 0 JJADRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC001435893388 1065049478 /nfs/dbraw/zinc/04/94/78/1065049478.db2.gz CHWMQUWWMIATAS-OAQYLSRUSA-N 0 0 455.551 4.525 20 0 JJADRN COC1CCC(CC(=O)OCc2ccc(I)c(C(F)(F)F)c2)CC1 ZINC001435895503 1065049897 /nfs/dbraw/zinc/04/98/97/1065049897.db2.gz SGQJEGQVUHYPFK-UHFFFAOYSA-N 0 0 456.242 4.949 20 0 JJADRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)[C@H]1CCOC2(CCC2)C1 ZINC001435895480 1065049950 /nfs/dbraw/zinc/04/99/50/1065049950.db2.gz QNGOGKFJILHZPZ-LBPRGKRZSA-N 0 0 454.226 4.703 20 0 JJADRN COC(=O)c1ncccc1NC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC001435897728 1065050796 /nfs/dbraw/zinc/05/07/96/1065050796.db2.gz UFBDTHNZLZEOAV-UHFFFAOYSA-N 0 0 455.301 4.830 20 0 JJADRN COc1cc(Cl)c(Cl)cc1NC(=O)c1cnn(C(C)C)c1I ZINC001435897405 1065050824 /nfs/dbraw/zinc/05/08/24/1065050824.db2.gz DHAOETJZFPUWCV-UHFFFAOYSA-N 0 0 454.095 4.636 20 0 JJADRN Cc1ccc(Oc2ccccc2CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1 ZINC001360148636 1065051229 /nfs/dbraw/zinc/05/12/29/1065051229.db2.gz KPKJSTRHYFGYIJ-UHFFFAOYSA-N 0 0 454.530 4.943 20 0 JJADRN O=C(Oc1cc(Cl)c(Br)cc1Cl)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001435898411 1065051468 /nfs/dbraw/zinc/05/14/68/1065051468.db2.gz UMSUOTKOMWNNCZ-LBPRGKRZSA-N 0 0 458.139 4.609 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1Br ZINC001435898776 1065051758 /nfs/dbraw/zinc/05/17/58/1065051758.db2.gz CXUWMXCXXLWWRO-CQSZACIVSA-N 0 0 457.210 4.677 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccnn1C ZINC001435899607 1065052457 /nfs/dbraw/zinc/05/24/57/1065052457.db2.gz MUILBZSPWCVTRE-UNMCSNQZSA-N 0 0 456.384 4.859 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435900433 1065052668 /nfs/dbraw/zinc/05/26/68/1065052668.db2.gz CQNLCBZVIWCRBZ-KPZWWZAWSA-N 0 0 450.486 4.604 20 0 JJADRN COc1cc(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cnc1Br ZINC001435899627 1065052808 /nfs/dbraw/zinc/05/28/08/1065052808.db2.gz JARPDYLBGDIVMF-UHFFFAOYSA-N 0 0 454.040 4.886 20 0 JJADRN CCc1c(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)nnn1Cc1ccc(F)cc1 ZINC001435901278 1065053190 /nfs/dbraw/zinc/05/31/90/1065053190.db2.gz FZPHCWYNPVGNHE-UHFFFAOYSA-N 0 0 459.312 4.773 20 0 JJADRN CC(C)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)Cc1ccc(Cl)cc1Cl ZINC001360150373 1065053821 /nfs/dbraw/zinc/05/38/21/1065053821.db2.gz AERQZFCYDHUITA-LPHOPBHVSA-N 0 0 454.419 4.886 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCOc3ccc(F)cc32)[C@@H]1c1ccccc1OC ZINC001435902752 1065054239 /nfs/dbraw/zinc/05/42/39/1065054239.db2.gz ONFBSONSZQAONG-OWHZGTRUSA-N 0 0 454.542 4.554 20 0 JJADRN CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@H](C)Cc1ccc(OC)cc1 ZINC001360150728 1065054365 /nfs/dbraw/zinc/05/43/65/1065054365.db2.gz KHMRREYXDQZHBG-QGZVFWFLSA-N 0 0 456.384 4.796 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC001435904333 1065055089 /nfs/dbraw/zinc/05/50/89/1065055089.db2.gz JWJKYVPNVNYZDB-SFHVURJKSA-N 0 0 454.876 4.597 20 0 JJADRN CCS(=O)(=O)c1cccc(CC(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)c1 ZINC001360151048 1065055119 /nfs/dbraw/zinc/05/51/19/1065055119.db2.gz QRCZUDVFTPSDJY-SFHVURJKSA-N 0 0 456.435 4.961 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545894066 1065055340 /nfs/dbraw/zinc/05/53/40/1065055340.db2.gz NRJRHHLMPPIVSJ-GOSISDBHSA-N 0 0 472.584 4.710 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545894067 1065055356 /nfs/dbraw/zinc/05/53/56/1065055356.db2.gz NRJRHHLMPPIVSJ-SFHVURJKSA-N 0 0 472.584 4.710 20 0 JJADRN CCCCCn1nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c2ccccc2c1=O ZINC001435906217 1065055806 /nfs/dbraw/zinc/05/58/06/1065055806.db2.gz FOOJUCBBDYLZSC-VGOFRKELSA-N 0 0 453.970 4.842 20 0 JJADRN Cc1ccc(C[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(C)c1 ZINC001360153847 1065056854 /nfs/dbraw/zinc/05/68/54/1065056854.db2.gz HWTBSFHWDRRKNR-ZFGGDYGUSA-N 0 0 454.611 4.849 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC001360155366 1065057486 /nfs/dbraw/zinc/05/74/86/1065057486.db2.gz VZUAHBURWHWANF-NOTUOJBMSA-N 0 0 450.579 4.960 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)Cc3ccoc3)n2CCCC(F)(F)F)c2ccccc2c1=O ZINC001360156469 1065057948 /nfs/dbraw/zinc/05/79/48/1065057948.db2.gz BEOUFSGZDIXZEA-UHFFFAOYSA-N 0 0 474.487 4.808 20 0 JJADRN Cc1cccc(CC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1Br ZINC001435909109 1065058155 /nfs/dbraw/zinc/05/81/55/1065058155.db2.gz ZYSFOBPFWMZLNC-UHFFFAOYSA-N 0 0 459.384 4.867 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001545894105 1065058219 /nfs/dbraw/zinc/05/82/19/1065058219.db2.gz OUAYAHXSKONZGE-BQFCYCMXSA-N 0 0 475.584 4.611 20 0 JJADRN CC(C)n1nc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(F)(F)F)c2ccccc2c1=O ZINC001360156553 1065058431 /nfs/dbraw/zinc/05/84/31/1065058431.db2.gz DTHMFIKDYBJRTR-UHFFFAOYSA-N 0 0 488.436 4.577 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccccc1 ZINC001435909734 1065058528 /nfs/dbraw/zinc/05/85/28/1065058528.db2.gz BEBRYXCHPUFKAT-MUUNZHRXSA-N 0 0 453.542 4.790 20 0 JJADRN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001435909645 1065058649 /nfs/dbraw/zinc/05/86/49/1065058649.db2.gz AGURBHUHRAAOBB-UHFFFAOYSA-N 0 0 454.876 4.773 20 0 JJADRN Cc1ccc(C[C@@H]2CCCN2C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC001360157695 1065058850 /nfs/dbraw/zinc/05/88/50/1065058850.db2.gz RDYSCIDHXNOEKT-IBGZPJMESA-N 0 0 455.480 4.715 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCC(F)F)n2C[C@@H]2CCC(F)(F)C2)c2ccccc2c1=O ZINC001360157403 1065058868 /nfs/dbraw/zinc/05/88/68/1065058868.db2.gz YSVFKAJGNLOYHO-OAHLLOKOSA-N 0 0 480.510 4.763 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)C(C)C)c(Br)c1 ZINC001435910427 1065058887 /nfs/dbraw/zinc/05/88/87/1065058887.db2.gz PWMUXQDUXDQLRK-SFHVURJKSA-N 0 0 454.748 4.609 20 0 JJADRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1 ZINC001360157039 1065058926 /nfs/dbraw/zinc/05/89/26/1065058926.db2.gz CPVBNVUXJOFWPS-FYYLOGMGSA-N 0 0 454.636 4.714 20 0 JJADRN CC(C)n1nc(-c2nnc(N(C)CCOC(C)(C)C)n2CCC2(C)CC2)c2ccccc2c1=O ZINC001360157221 1065059037 /nfs/dbraw/zinc/05/90/37/1065059037.db2.gz WHPXQZSHMBADGN-UHFFFAOYSA-N 0 0 466.630 4.677 20 0 JJADRN CC(C)Oc1cccc([C@H](C)OC(=O)CCNC(=O)c2cc(F)ccc2Br)c1 ZINC001435910703 1065058975 /nfs/dbraw/zinc/05/89/75/1065058975.db2.gz BFGASUAUBAFTJP-AWEZNQCLSA-N 0 0 452.320 4.800 20 0 JJADRN CC(C)(CC1CCCCCC1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001435910915 1065059008 /nfs/dbraw/zinc/05/90/08/1065059008.db2.gz MCPNQDAWNDUQST-HSZRJFAPSA-N 0 0 451.970 4.501 20 0 JJADRN CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(C)nc3-n3cc(Cl)cn3)c(C)c2c1 ZINC001435911013 1065059097 /nfs/dbraw/zinc/05/90/97/1065059097.db2.gz IBQUTWVMTSIBPZ-UHFFFAOYSA-N 0 0 450.926 4.735 20 0 JJADRN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)[C@H]3CCCCN3C(=O)C(C)C)c12 ZINC001435911522 1065059346 /nfs/dbraw/zinc/05/93/46/1065059346.db2.gz FNWAXKHMJDMAQZ-LJQANCHMSA-N 0 0 453.974 4.666 20 0 JJADRN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)[C@@H]3CCCCN3C(=O)C(C)C)c12 ZINC001435911518 1065059496 /nfs/dbraw/zinc/05/94/96/1065059496.db2.gz FNWAXKHMJDMAQZ-IBGZPJMESA-N 0 0 453.974 4.666 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC001360160954 1065059773 /nfs/dbraw/zinc/05/97/73/1065059773.db2.gz XMOSJKGSKVNNDX-VDGAXYAQSA-N 0 0 451.007 4.966 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161622 1065060211 /nfs/dbraw/zinc/06/02/11/1065060211.db2.gz MODACZHPJKHHEJ-IIBYNOLFSA-N 0 0 451.394 4.729 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161623 1065060464 /nfs/dbraw/zinc/06/04/64/1065060464.db2.gz MODACZHPJKHHEJ-KKSFZXQISA-N 0 0 451.394 4.729 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001360161620 1065060510 /nfs/dbraw/zinc/06/05/10/1065060510.db2.gz MODACZHPJKHHEJ-HRAATJIYSA-N 0 0 451.394 4.729 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)c1cc(C)nc2ccc(Br)cc21)c1ccccc1 ZINC001435914053 1065060899 /nfs/dbraw/zinc/06/08/99/1065060899.db2.gz UYNKFOIPAULGOJ-QHCPKHFHSA-N 0 0 455.352 4.557 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001360162583 1065061172 /nfs/dbraw/zinc/06/11/72/1065061172.db2.gz OQXMCBITELIKJR-DLBZAZTESA-N 0 0 479.610 4.529 20 0 JJADRN CCOC(=O)[C@@](C)(CNC(=O)CCSc1ccccc1Br)c1ccccc1 ZINC001435914714 1065061258 /nfs/dbraw/zinc/06/12/58/1065061258.db2.gz ZSRQQMZSGPFGKZ-NRFANRHFSA-N 0 0 450.398 4.569 20 0 JJADRN CC1(C)CN([C@H](CNC(=O)[C@H]2SCCc3sccc32)c2ccc(Cl)cc2)CCO1 ZINC001360162388 1065061355 /nfs/dbraw/zinc/06/13/55/1065061355.db2.gz XMKWAQSOJGVVMR-QUCCMNQESA-N 0 0 451.057 4.700 20 0 JJADRN O=C(CCc1nc(-c2ccccn2)no1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001435914949 1065061336 /nfs/dbraw/zinc/06/13/36/1065061336.db2.gz LBRCSXGAUBQJLR-HNNXBMFYSA-N 0 0 458.362 4.893 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)CCCSc1ccc(Br)cc1)c1ccccc1 ZINC001435917077 1065061697 /nfs/dbraw/zinc/06/16/97/1065061697.db2.gz ABGMFNDNDIMCHF-NRFANRHFSA-N 0 0 450.398 4.569 20 0 JJADRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC001435917055 1065061871 /nfs/dbraw/zinc/06/18/71/1065061871.db2.gz DXQWJLKIAWPSHH-IBGZPJMESA-N 0 0 452.599 4.584 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3CCc4c3cccc4C)cc2)c1C(F)(F)F ZINC001360165140 1065062069 /nfs/dbraw/zinc/06/20/69/1065062069.db2.gz HDJHBJCHFNEUCN-HXUWFJFHSA-N 0 0 457.452 4.794 20 0 JJADRN CCOC(=O)[C@H](CC)N(C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C1CC1 ZINC001435917260 1065062365 /nfs/dbraw/zinc/06/23/65/1065062365.db2.gz IUYMNSPTBWDDBQ-KRWDZBQOSA-N 0 0 457.880 4.550 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)s1 ZINC001360167043 1065062568 /nfs/dbraw/zinc/06/25/68/1065062568.db2.gz LULOUQAPQNXUNK-QGZVFWFLSA-N 0 0 457.573 4.629 20 0 JJADRN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)C1CC1 ZINC001360165498 1065062692 /nfs/dbraw/zinc/06/26/92/1065062692.db2.gz PQWIBPSROBOPRU-NTLWEQJWSA-N 0 0 450.645 4.591 20 0 JJADRN CC(C)(C)CN(Cc1ccccc1)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC001360165906 1065062723 /nfs/dbraw/zinc/06/27/23/1065062723.db2.gz ZIUBFXLACZGART-FQEVSTJZSA-N 0 0 455.603 4.539 20 0 JJADRN C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001360166522 1065062775 /nfs/dbraw/zinc/06/27/75/1065062775.db2.gz COYDUHFMFAFOJH-WCRPCQDQSA-N 0 0 454.375 4.988 20 0 JJADRN COC(=O)[C@@](C)(CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1ccccc1 ZINC001435917916 1065062837 /nfs/dbraw/zinc/06/28/37/1065062837.db2.gz LVZCFFNAUCTUMP-NDEPHWFRSA-N 0 0 455.510 4.629 20 0 JJADRN CC(C)Oc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(Cl)c1 ZINC001435918963 1065062900 /nfs/dbraw/zinc/06/29/00/1065062900.db2.gz CSMXWTLVMUZUPY-UHFFFAOYSA-N 0 0 457.017 4.545 20 0 JJADRN COc1ccc2c(c1)c(CC(=O)N[C@H]1CC[C@H](OC)C1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC001435919498 1065063080 /nfs/dbraw/zinc/06/30/80/1065063080.db2.gz KYMGCPFKNSYJPT-OALUTQOASA-N 0 0 454.954 4.526 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001360168235 1065063192 /nfs/dbraw/zinc/06/31/92/1065063192.db2.gz NVBKILJQMJLCQO-RHSMWYFYSA-N 0 0 498.550 4.734 20 0 JJADRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)ccc2c1 ZINC001360167998 1065063222 /nfs/dbraw/zinc/06/32/22/1065063222.db2.gz ZYDFDVAQXNXOFF-GAJHUEQPSA-N 0 0 453.560 4.543 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2ccccc2)n1Cc1ccsc1Br ZINC001360168437 1065063286 /nfs/dbraw/zinc/06/32/86/1065063286.db2.gz UUWXNHPBGVHTQF-HNNXBMFYSA-N 0 0 476.444 4.529 20 0 JJADRN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cc(Br)c(F)cc1F ZINC001435919939 1065063894 /nfs/dbraw/zinc/06/38/94/1065063894.db2.gz AFMVNUUDTWPMJN-UHFFFAOYSA-N 0 0 452.280 4.617 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1CC(C)(C)C(C)C ZINC001360169646 1065064045 /nfs/dbraw/zinc/06/40/45/1065064045.db2.gz NAVUKRVXIZTQIU-UHFFFAOYSA-N 0 0 456.454 4.559 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)o2)n1CC(C)(C)c1cccc(F)c1 ZINC001360169770 1065064115 /nfs/dbraw/zinc/06/41/15/1065064115.db2.gz RFVHASPNLFALKY-UHFFFAOYSA-N 0 0 492.393 4.525 20 0 JJADRN CC(C)n1nccc1C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435921416 1065064298 /nfs/dbraw/zinc/06/42/98/1065064298.db2.gz MEJAHVMHIUSEHX-FGZHOGPDSA-N 0 0 454.615 4.842 20 0 JJADRN CC(C)n1nccc1C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435921423 1065064400 /nfs/dbraw/zinc/06/44/00/1065064400.db2.gz MEJAHVMHIUSEHX-YADHBBJMSA-N 0 0 454.615 4.842 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC001435921090 1065064427 /nfs/dbraw/zinc/06/44/27/1065064427.db2.gz ABPLMVGKONRFHU-WMZOPIPTSA-N 0 0 454.958 4.522 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)c2)c1 ZINC001360170394 1065064531 /nfs/dbraw/zinc/06/45/31/1065064531.db2.gz IMWQAKZDLVVKCJ-UHFFFAOYSA-N 0 0 457.574 4.844 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001360169849 1065064751 /nfs/dbraw/zinc/06/47/51/1065064751.db2.gz VCHZSSARAHYBFI-SJLPKXTDSA-N 0 0 462.520 4.828 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2cc3ccccc3[nH]2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360169848 1065064765 /nfs/dbraw/zinc/06/47/65/1065064765.db2.gz VCHZSSARAHYBFI-FUHWJXTLSA-N 0 0 462.520 4.828 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC001435921766 1065064954 /nfs/dbraw/zinc/06/49/54/1065064954.db2.gz CMXRCJNOQSRRMZ-GFCCVEGCSA-N 0 0 451.907 4.674 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(-c3nc[nH]n3)c2)CC1 ZINC001360171333 1065065212 /nfs/dbraw/zinc/06/52/12/1065065212.db2.gz ZTACLNXECUNBFL-PQNGQFLHSA-N 0 0 459.594 4.600 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001360170508 1065065249 /nfs/dbraw/zinc/06/52/49/1065065249.db2.gz JKBZTJZKTOIQMN-FQEVSTJZSA-N 0 0 488.627 4.869 20 0 JJADRN COC(=O)c1cccc(OC)c1N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC001435923104 1065065181 /nfs/dbraw/zinc/06/51/81/1065065181.db2.gz QAJYRBVPBQSSCG-UHFFFAOYSA-N 0 0 458.923 4.726 20 0 JJADRN Cc1ccncc1CC(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001435922587 1065065229 /nfs/dbraw/zinc/06/52/29/1065065229.db2.gz SBUSFVGETHEPCT-ZEQRLZLVSA-N 0 0 451.611 4.697 20 0 JJADRN O=C(/C=C/c1ccc(F)c2ccccc12)NCCCNC(=O)c1cccc(Br)c1 ZINC001360173769 1065066048 /nfs/dbraw/zinc/06/60/48/1065066048.db2.gz MDEOGNOUFGSNIA-ZRDIBKRKSA-N 0 0 455.327 4.691 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC001435924819 1065066132 /nfs/dbraw/zinc/06/61/32/1065066132.db2.gz LMXBEUYXKFBNLE-YFWYWMRJSA-N 0 0 456.970 4.644 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC1(c2ccccc2OC)CCC1 ZINC001545894208 1065066302 /nfs/dbraw/zinc/06/63/02/1065066302.db2.gz RFSVDCXMCWRTSH-SFHVURJKSA-N 0 0 489.611 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H](C)Cc1ccc(OC)cc1 ZINC001545894205 1065066400 /nfs/dbraw/zinc/06/64/00/1065066400.db2.gz RFAILKZWEYNFHF-MJGOQNOKSA-N 0 0 495.590 4.863 20 0 JJADRN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)Cc3csc4ccc(Cl)cc34)CC2)c1 ZINC001360174189 1065066421 /nfs/dbraw/zinc/06/64/21/1065066421.db2.gz CLBFGEBLLNKQIR-QGZVFWFLSA-N 0 0 456.995 4.544 20 0 JJADRN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001360174708 1065066453 /nfs/dbraw/zinc/06/64/53/1065066453.db2.gz NZXGCTSFTVXPKS-QFIPXVFZSA-N 0 0 456.586 4.519 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)n1CCOC1CCCCCC1 ZINC001360176830 1065066889 /nfs/dbraw/zinc/06/68/89/1065066889.db2.gz FTUWYKUWQWBVBJ-NOZRDPDXSA-N 0 0 497.684 4.760 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1CCOC1CCCCCC1 ZINC001360176831 1065066973 /nfs/dbraw/zinc/06/69/73/1065066973.db2.gz FTUWYKUWQWBVBJ-UKILVPOCSA-N 0 0 497.684 4.760 20 0 JJADRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(C)cc1Br ZINC001435927392 1065067720 /nfs/dbraw/zinc/06/77/20/1065067720.db2.gz MGKRFRLAMJNNJX-MRXNPFEDSA-N 0 0 455.274 4.620 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1cc(Br)c(C)s1)c1ccc(Cl)c(Cl)c1 ZINC001435929405 1065068009 /nfs/dbraw/zinc/06/80/09/1065068009.db2.gz ANGRSJSXWIKVSD-INIZCTEOSA-N 0 0 451.169 4.944 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC001435930718 1065068497 /nfs/dbraw/zinc/06/84/97/1065068497.db2.gz MGNPZPRODYQZCY-SFHVURJKSA-N 0 0 450.240 4.596 20 0 JJADRN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001360181594 1065068908 /nfs/dbraw/zinc/06/89/08/1065068908.db2.gz KLAXSXZSTXFDAP-KRWDZBQOSA-N 0 0 495.594 4.737 20 0 JJADRN COC(=O)[C@@](C)(NC(=O)c1ccc(N(C)c2ccccc2)nc1)c1ccc(Cl)c(Cl)c1 ZINC001435932189 1065069258 /nfs/dbraw/zinc/06/92/58/1065069258.db2.gz ZLALRALEPZWYAM-QHCPKHFHSA-N 0 0 458.345 4.975 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1Br ZINC001360182474 1065069156 /nfs/dbraw/zinc/06/91/56/1065069156.db2.gz SMVACWYVAHZRLT-UHFFFAOYSA-N 0 0 451.748 4.990 20 0 JJADRN CC(C)n1ncc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1Br ZINC001360182486 1065069233 /nfs/dbraw/zinc/06/92/33/1065069233.db2.gz SZVOHGGSGUNYKV-UHFFFAOYSA-N 0 0 453.768 4.758 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC001435932780 1065069557 /nfs/dbraw/zinc/06/95/57/1065069557.db2.gz AVLVTTDVTSYTIO-UHFFFAOYSA-N 0 0 457.715 4.977 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001360182917 1065069686 /nfs/dbraw/zinc/06/96/86/1065069686.db2.gz IHPMPGSDHGSXBV-GOSISDBHSA-N 0 0 493.637 4.747 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001360182918 1065070069 /nfs/dbraw/zinc/07/00/69/1065070069.db2.gz IHPMPGSDHGSXBV-SFHVURJKSA-N 0 0 493.637 4.747 20 0 JJADRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1cnnn1-c1ccccc1Cl ZINC001435933883 1065070136 /nfs/dbraw/zinc/07/01/36/1065070136.db2.gz VANWCIXZGAPTMP-KRWDZBQOSA-N 0 0 459.775 4.824 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1CCc1ccc(Br)s1 ZINC001360183273 1065070208 /nfs/dbraw/zinc/07/02/08/1065070208.db2.gz RMPJUPDYVWJZRK-UHFFFAOYSA-N 0 0 494.484 4.714 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC(C)(C)c1ccc(F)cc1 ZINC001360183380 1065070582 /nfs/dbraw/zinc/07/05/82/1065070582.db2.gz VBVVXZCAGWUNCY-OAQYLSRUSA-N 0 0 499.656 4.780 20 0 JJADRN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2ccccc2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360183486 1065070698 /nfs/dbraw/zinc/07/06/98/1065070698.db2.gz XEEAIYITPBHOBR-LJQANCHMSA-N 0 0 457.525 4.652 20 0 JJADRN O=C(NCc1nc(-c2ccncc2)no1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001360183452 1065070725 /nfs/dbraw/zinc/07/07/25/1065070725.db2.gz GLVZRVSSEPWHLX-FQEVSTJZSA-N 0 0 455.301 4.875 20 0 JJADRN C[S@@](=O)c1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1F ZINC001360183750 1065071166 /nfs/dbraw/zinc/07/11/66/1065071166.db2.gz MJICRNSYHKUYDI-AUMHUTNHSA-N 0 0 452.592 4.709 20 0 JJADRN CC(C)NC(=O)c1nnc(N(CCC(F)(F)F)CC2CC2)n1CC[C@H]1CCOc2ccccc21 ZINC001360184689 1065071244 /nfs/dbraw/zinc/07/12/44/1065071244.db2.gz QCINAGRHBHELPQ-SFHVURJKSA-N 0 0 479.547 4.542 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC001435936742 1065071536 /nfs/dbraw/zinc/07/15/36/1065071536.db2.gz MJHRNDCXWRQRMK-QGZVFWFLSA-N 0 0 454.596 4.640 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](OC)c2ccccc2C(F)(F)F)CC1 ZINC001360187609 1065072105 /nfs/dbraw/zinc/07/21/05/1065072105.db2.gz GAPOAYQOSVTLOR-LEWJYISDSA-N 0 0 456.455 4.967 20 0 JJADRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001435938482 1065073073 /nfs/dbraw/zinc/07/30/73/1065073073.db2.gz DOWCUXIRGZHJOA-RTBURBONSA-N 0 0 458.624 4.511 20 0 JJADRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 ZINC001360188837 1065073209 /nfs/dbraw/zinc/07/32/09/1065073209.db2.gz XBPJCECNLNCLAD-AWEZNQCLSA-N 0 0 455.368 4.725 20 0 JJADRN COc1cc(NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)nn1C ZINC001435940234 1065073595 /nfs/dbraw/zinc/07/35/95/1065073595.db2.gz HYOYPFFNMYGKGF-UHFFFAOYSA-N 0 0 450.351 4.756 20 0 JJADRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC001360189512 1065073561 /nfs/dbraw/zinc/07/35/61/1065073561.db2.gz AODLFWCOQCIQHW-KRWDZBQOSA-N 0 0 457.621 4.727 20 0 JJADRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC001360189522 1065073608 /nfs/dbraw/zinc/07/36/08/1065073608.db2.gz AODLFWCOQCIQHW-QGZVFWFLSA-N 0 0 457.621 4.727 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360189368 1065073703 /nfs/dbraw/zinc/07/37/03/1065073703.db2.gz TUOPLCJDXRAGET-ZVDOUQERSA-N 0 0 475.584 4.598 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1occc1CSc1ccccc1 ZINC001435939722 1065073714 /nfs/dbraw/zinc/07/37/14/1065073714.db2.gz DUDZLQLRZKZWRD-NRFANRHFSA-N 0 0 456.514 4.771 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccc(-n2nnnc2C)cc1F ZINC001360190083 1065074266 /nfs/dbraw/zinc/07/42/66/1065074266.db2.gz JTVQZVYGSPHVIJ-LLVKDONJSA-N 0 0 456.934 4.686 20 0 JJADRN CC[C@@H](NC(=O)c1cc2c(cc1Br)OCO2)c1cc(F)cc(Br)c1 ZINC001435940250 1065074211 /nfs/dbraw/zinc/07/42/11/1065074211.db2.gz DOFFUBUZXNEGSY-CQSZACIVSA-N 0 0 459.109 4.961 20 0 JJADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCCc1csc2ccccc12 ZINC001435941869 1065074731 /nfs/dbraw/zinc/07/47/31/1065074731.db2.gz VKMZSMLWAYAFFE-GOSISDBHSA-N 0 0 456.633 4.984 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CN1c2ccccc2OCCC1=O ZINC001360190481 1065074814 /nfs/dbraw/zinc/07/48/14/1065074814.db2.gz ZGWHJOMIGVXDOT-AWEZNQCLSA-N 0 0 455.967 4.765 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1nc2cccc(Cl)c2n1C ZINC001435942284 1065075083 /nfs/dbraw/zinc/07/50/83/1065075083.db2.gz RKMBGUJMRHNIBY-UHFFFAOYSA-N 0 0 456.930 4.918 20 0 JJADRN CC(C)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001360190578 1065075091 /nfs/dbraw/zinc/07/50/91/1065075091.db2.gz AYEYDISDXMWXJD-TZIWHRDSSA-N 0 0 485.673 4.828 20 0 JJADRN CC(C)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001360191840 1065075614 /nfs/dbraw/zinc/07/56/14/1065075614.db2.gz ULPBZLTXHMDQHL-IRLDBZIGSA-N 0 0 496.656 4.971 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCc2ccc3c(c2)OCCCO3)CC1 ZINC001360192122 1065075847 /nfs/dbraw/zinc/07/58/47/1065075847.db2.gz OVTJVZOHFLCNNE-HSZRJFAPSA-N 0 0 458.549 4.744 20 0 JJADRN O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001435946350 1065076163 /nfs/dbraw/zinc/07/61/63/1065076163.db2.gz IYSAYKVYWVRAJL-UHFFFAOYSA-N 0 0 450.411 4.806 20 0 JJADRN Cc1cc(C(=O)Nc2ccnn2-c2ccccc2C)c(I)cc1Cl ZINC001360194199 1065076215 /nfs/dbraw/zinc/07/62/15/1065076215.db2.gz DCDXOFMMFIRXGC-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cc(Br)cnc1C1CC1 ZINC001360196664 1065076855 /nfs/dbraw/zinc/07/68/55/1065076855.db2.gz DNHRQMHQMOZKOL-HNNXBMFYSA-N 0 0 454.290 4.749 20 0 JJADRN CN(CC(F)(F)C(F)(F)F)C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 ZINC001360197456 1065077261 /nfs/dbraw/zinc/07/72/61/1065077261.db2.gz OUEJQADNVHOZPX-OAHLLOKOSA-N 0 0 450.448 4.901 20 0 JJADRN COc1c2ccccc2oc1CNC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C ZINC001435948773 1065077500 /nfs/dbraw/zinc/07/75/00/1065077500.db2.gz POMOKTDJCVTERD-UHFFFAOYSA-N 0 0 454.523 4.617 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N3CCCCC[C@@H]3C)cc2)cc1C ZINC001435949062 1065077556 /nfs/dbraw/zinc/07/75/56/1065077556.db2.gz JXEAICUECLKMRM-LEWJYISDSA-N 0 0 458.624 4.687 20 0 JJADRN O=C(Nc1cc(Br)cnc1Cl)c1ccn(-c2cccc(Br)c2)n1 ZINC001435949628 1065077613 /nfs/dbraw/zinc/07/76/13/1065077613.db2.gz RGKDDQFGAWDDNX-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001360198503 1065077610 /nfs/dbraw/zinc/07/76/10/1065077610.db2.gz YIRPTMCQVUZTIF-INIZCTEOSA-N 0 0 459.281 4.935 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]3C)C1 ZINC001435949998 1065077920 /nfs/dbraw/zinc/07/79/20/1065077920.db2.gz INZUAYVXZUIRKD-APIJFGDWSA-N 0 0 451.585 4.644 20 0 JJADRN CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]3C)C1 ZINC001435949999 1065077988 /nfs/dbraw/zinc/07/79/88/1065077988.db2.gz INZUAYVXZUIRKD-CBBWQLFWSA-N 0 0 451.585 4.644 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001360199382 1065078098 /nfs/dbraw/zinc/07/80/98/1065078098.db2.gz GLFIACONBJFILP-FQEVSTJZSA-N 0 0 467.658 4.796 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC001435951214 1065078383 /nfs/dbraw/zinc/07/83/83/1065078383.db2.gz VRSUZXTYLHKRHF-INIZCTEOSA-N 0 0 450.988 4.578 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CSc1ccc2c(c1)OCCO2 ZINC001435954234 1065079263 /nfs/dbraw/zinc/07/92/63/1065079263.db2.gz STEJXKXCTZXMRH-INIZCTEOSA-N 0 0 450.398 4.792 20 0 JJADRN Cc1cc(Br)c(C(=O)NCc2ccc(Br)o2)cc1Br ZINC001435954991 1065079378 /nfs/dbraw/zinc/07/93/78/1065079378.db2.gz ALNWNXMQRGMCLC-UHFFFAOYSA-N 0 0 451.940 4.806 20 0 JJADRN C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc2ncsc2c1 ZINC001435954695 1065079489 /nfs/dbraw/zinc/07/94/89/1065079489.db2.gz HPFGYBIZNWWFFX-RBZFPXEDSA-N 0 0 450.391 4.854 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001360203916 1065079594 /nfs/dbraw/zinc/07/95/94/1065079594.db2.gz VGFMUHIKNAHTGX-RTWAWAEBSA-N 0 0 493.574 4.753 20 0 JJADRN O=C(Nc1cccc(Cl)c1SCC(F)F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001360204916 1065079712 /nfs/dbraw/zinc/07/97/12/1065079712.db2.gz BILIJVFPSQFJAY-CQSZACIVSA-N 0 0 456.917 4.866 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1 ZINC001360206350 1065080010 /nfs/dbraw/zinc/08/00/10/1065080010.db2.gz WDKKRCIAXOKZQV-HNNXBMFYSA-N 0 0 457.546 4.869 20 0 JJADRN COC(=O)c1cc(C)nc2nc(NC(=O)c3sc(Cc4ccc(F)cc4)nc3C)sc21 ZINC001360205951 1065080197 /nfs/dbraw/zinc/08/01/97/1065080197.db2.gz RHTNMRFDYMCNCU-UHFFFAOYSA-N 0 0 456.524 4.533 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC(=O)Nc1ccccc1)c1cc(C)cc(C)c1 ZINC001360205535 1065080210 /nfs/dbraw/zinc/08/02/10/1065080210.db2.gz IVSJTMKSJUEADE-UHFFFAOYSA-N 0 0 459.575 4.754 20 0 JJADRN CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)cc1 ZINC001360205750 1065080260 /nfs/dbraw/zinc/08/02/60/1065080260.db2.gz MPFWAAWJSPXBCO-CYBMUJFWSA-N 0 0 456.427 4.844 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(COc3ccccc3)CC2)n1CCC(C)(C)C1CC1 ZINC001360206929 1065080630 /nfs/dbraw/zinc/08/06/30/1065080630.db2.gz LQCXLSUDXGNBMP-UHFFFAOYSA-N 0 0 453.631 4.538 20 0 JJADRN COCCSc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1 ZINC001360206518 1065080702 /nfs/dbraw/zinc/08/07/02/1065080702.db2.gz YQJDGORQQOCOAS-WMZHIEFXSA-N 0 0 456.608 4.794 20 0 JJADRN COc1cc(Br)c(Cl)cc1C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001435957069 1065080771 /nfs/dbraw/zinc/08/07/71/1065080771.db2.gz LVEBPVLUQUYZQZ-SFHVURJKSA-N 0 0 452.711 4.503 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)c3cc(I)c(F)cc3F)sc2c1 ZINC001435957158 1065080808 /nfs/dbraw/zinc/08/08/08/1065080808.db2.gz STQPBLDBKCPVLU-UHFFFAOYSA-N 0 0 458.227 4.634 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)sc2c1 ZINC001435957773 1065081250 /nfs/dbraw/zinc/08/12/50/1065081250.db2.gz XESLCMONBGONOW-QGZVFWFLSA-N 0 0 457.527 4.885 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(Nc3ccccc3Cl)CC2)n1CC1CC(C)(C)C1 ZINC001360209679 1065081321 /nfs/dbraw/zinc/08/13/21/1065081321.db2.gz ASNZMXCRYAPKNE-UHFFFAOYSA-N 0 0 459.038 4.587 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCSc3ncccc32)cc1)c1ccc(Br)cc1 ZINC001360211704 1065081704 /nfs/dbraw/zinc/08/17/04/1065081704.db2.gz DTBJAWKHNIZQRQ-UHFFFAOYSA-N 0 0 454.349 4.849 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360211659 1065081949 /nfs/dbraw/zinc/08/19/49/1065081949.db2.gz LNLPLGUPMJMOMK-VQTJNVASSA-N 0 0 493.574 4.896 20 0 JJADRN COc1ccc(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OCc2ccccc2)c1 ZINC001435958406 1065082186 /nfs/dbraw/zinc/08/21/86/1065082186.db2.gz TZQGPFPMSJTEEF-PGRDOPGGSA-N 0 0 458.530 4.808 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1C[C@H]1CCCCC1(F)F ZINC001360212352 1065082390 /nfs/dbraw/zinc/08/23/90/1065082390.db2.gz YXKOLKJZPIDRPL-SJORKVTESA-N 0 0 481.975 4.553 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)CC2 ZINC001435959595 1065082638 /nfs/dbraw/zinc/08/26/38/1065082638.db2.gz HGASUFKBDHEKHW-LEWJYISDSA-N 0 0 451.364 4.983 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1C[C@@H](C)Sc1ccccc1 ZINC001360212602 1065082721 /nfs/dbraw/zinc/08/27/21/1065082721.db2.gz AIRIZNXZOVQNGP-LDBYXDLTSA-N 0 0 482.481 4.617 20 0 JJADRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001360212544 1065082808 /nfs/dbraw/zinc/08/28/08/1065082808.db2.gz YAXUEIIPALTMDP-UHFFFAOYSA-N 0 0 452.885 4.710 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC001360213620 1065082877 /nfs/dbraw/zinc/08/28/77/1065082877.db2.gz CMGIWOLWOJBCKX-UHFFFAOYSA-N 0 0 454.458 4.703 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001360214585 1065083186 /nfs/dbraw/zinc/08/31/86/1065083186.db2.gz NCQSZGLTZGTTLI-JOCHJYFZSA-N 0 0 452.595 4.880 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214563 1065083338 /nfs/dbraw/zinc/08/33/38/1065083338.db2.gz MGMMUAZCHXKGHW-IRXDYDNUSA-N 0 0 453.421 4.781 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214562 1065083354 /nfs/dbraw/zinc/08/33/54/1065083354.db2.gz MGMMUAZCHXKGHW-IAGOWNOFSA-N 0 0 453.421 4.781 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1Cc1ccccc1OCC(F)(F)F ZINC001360214885 1065083938 /nfs/dbraw/zinc/08/39/38/1065083938.db2.gz CQLMRWJHZZDDEQ-UHFFFAOYSA-N 0 0 479.547 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001360215054 1065083970 /nfs/dbraw/zinc/08/39/70/1065083970.db2.gz VWNDQYRUXKXNHB-GFCCVEGCSA-N 0 0 451.778 4.789 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC(C)(C)c1cccs1 ZINC001360216193 1065084191 /nfs/dbraw/zinc/08/41/91/1065084191.db2.gz JIVZHFFXWDKNKH-HNNXBMFYSA-N 0 0 473.593 4.858 20 0 JJADRN CN(Cc1ccccc1NC(=O)c1ccnn1CC(F)(F)F)C(=O)c1cc2ccccc2o1 ZINC001360216399 1065084228 /nfs/dbraw/zinc/08/42/28/1065084228.db2.gz GBUCZJCFHLMYNB-UHFFFAOYSA-N 0 0 456.424 4.716 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)oc1C ZINC001435962945 1065084352 /nfs/dbraw/zinc/08/43/52/1065084352.db2.gz JWUVTCZWTLANNJ-UHFFFAOYSA-N 0 0 458.927 4.833 20 0 JJADRN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC001360216699 1065084836 /nfs/dbraw/zinc/08/48/36/1065084836.db2.gz MRVSFQXATUJFRF-ZCYQVOJMSA-N 0 0 458.562 4.789 20 0 JJADRN CCCc1c(C(=O)N[C@@H](Cc2ccccc2Cl)C(=O)OCC)cnn1-c1cccc(C)c1 ZINC001435967415 1065085406 /nfs/dbraw/zinc/08/54/06/1065085406.db2.gz JSBRXXJULIXKHZ-QFIPXVFZSA-N 0 0 453.970 4.691 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001360220134 1065085569 /nfs/dbraw/zinc/08/55/69/1065085569.db2.gz YYHHPRRWTUZRBF-QGZVFWFLSA-N 0 0 466.399 4.516 20 0 JJADRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC001360220546 1065086088 /nfs/dbraw/zinc/08/60/88/1065086088.db2.gz LILZDPZOAMGKTP-UHFFFAOYSA-N 0 0 457.636 4.754 20 0 JJADRN CCOc1ccc2c(c1)[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)CCO2 ZINC001435969171 1065086111 /nfs/dbraw/zinc/08/61/11/1065086111.db2.gz GBHDNTMIIFBZRG-IRLDBZIGSA-N 0 0 459.384 4.625 20 0 JJADRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(I)cn1 ZINC001360220972 1065086223 /nfs/dbraw/zinc/08/62/23/1065086223.db2.gz ZLPXTBSFOWPFEH-LLVKDONJSA-N 0 0 459.125 4.656 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)n1 ZINC001435969524 1065086347 /nfs/dbraw/zinc/08/63/47/1065086347.db2.gz BGYPCHUWEJBAPS-UHFFFAOYSA-N 0 0 454.527 4.979 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H]1CCC[C@H]1C ZINC001360221752 1065086463 /nfs/dbraw/zinc/08/64/63/1065086463.db2.gz CYXPIJXYRXVDOY-PMPSAXMXSA-N 0 0 484.592 4.712 20 0 JJADRN Cc1ccccc1COc1cccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)c1 ZINC001360221246 1065086604 /nfs/dbraw/zinc/08/66/04/1065086604.db2.gz KPIGRGLVHRQCTG-UHFFFAOYSA-N 0 0 451.573 4.515 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H]1CCC[C@@H]1C ZINC001360221750 1065086671 /nfs/dbraw/zinc/08/66/71/1065086671.db2.gz CYXPIJXYRXVDOY-JYJNAYRXSA-N 0 0 484.592 4.712 20 0 JJADRN CN(CCC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21)C(=O)OCc1ccccc1 ZINC001435971277 1065086773 /nfs/dbraw/zinc/08/67/73/1065086773.db2.gz UOEPXKNTPZDIIU-UHFFFAOYSA-N 0 0 453.539 4.581 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCc1csc2ccccc12 ZINC001360223060 1065087096 /nfs/dbraw/zinc/08/70/96/1065087096.db2.gz DPTOPLKBVXEQLX-LJQANCHMSA-N 0 0 469.655 4.658 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001435973051 1065087696 /nfs/dbraw/zinc/08/76/96/1065087696.db2.gz HPRZTZXEBSTRGT-SUMWQHHRSA-N 0 0 450.423 4.747 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001435973101 1065087909 /nfs/dbraw/zinc/08/79/09/1065087909.db2.gz IBXCQXINCPFTDF-FQEVSTJZSA-N 0 0 450.441 4.677 20 0 JJADRN O=C(NCCCCCCOc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001435974949 1065088262 /nfs/dbraw/zinc/08/82/62/1065088262.db2.gz FAQMORVCJIZUKU-INIZCTEOSA-N 0 0 450.913 4.727 20 0 JJADRN O=C(NCCCCCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001435974956 1065088472 /nfs/dbraw/zinc/08/84/72/1065088472.db2.gz FAQMORVCJIZUKU-MRXNPFEDSA-N 0 0 450.913 4.727 20 0 JJADRN Cc1nc2cc(Br)cc(NC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)c2o1 ZINC001435975594 1065088679 /nfs/dbraw/zinc/08/86/79/1065088679.db2.gz LYPAAZSSQKQIDZ-UHFFFAOYSA-N 0 0 458.356 4.955 20 0 JJADRN C[C@]1(C(=O)NCC2(CCOCc3ccccc3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435975271 1065088691 /nfs/dbraw/zinc/08/86/91/1065088691.db2.gz IQGGDLTVMWTASR-SANMLTNESA-N 0 0 450.579 4.539 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cnc(CCC(F)(F)F)s1 ZINC001435976389 1065089051 /nfs/dbraw/zinc/08/90/51/1065089051.db2.gz XAWQONJPMXMLHB-QGZVFWFLSA-N 0 0 450.482 4.695 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001360226308 1065089044 /nfs/dbraw/zinc/08/90/44/1065089044.db2.gz LPFRKEFHENQTMM-YSIASYRMSA-N 0 0 479.547 4.832 20 0 JJADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(F)cc3)C(C)(C)C)s2)CC1 ZINC001435976804 1065089529 /nfs/dbraw/zinc/08/95/29/1065089529.db2.gz NPSSJCKSDBACKC-UHFFFAOYSA-N 0 0 452.617 4.749 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)c1ccccc1F ZINC001360227435 1065089621 /nfs/dbraw/zinc/08/96/21/1065089621.db2.gz NBSPQRKRTMPKEC-UHFFFAOYSA-N 0 0 455.603 4.548 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360227619 1065090054 /nfs/dbraw/zinc/09/00/54/1065090054.db2.gz DMJWZSIHQWAYJZ-JPYJTQIMSA-N 0 0 458.549 4.914 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCOc1ccc(F)c(Cl)c1 ZINC001360227882 1065090147 /nfs/dbraw/zinc/09/01/47/1065090147.db2.gz PXDYKWXDVLINSD-XMMPIXPASA-N 0 0 475.996 4.615 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccco2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001360227582 1065090160 /nfs/dbraw/zinc/09/01/60/1065090160.db2.gz XPQLUFFIKKRHJU-KRWDZBQOSA-N 0 0 465.451 4.557 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228012 1065090439 /nfs/dbraw/zinc/09/04/39/1065090439.db2.gz IUBAVOWWLCCMPK-LQGLAIQGSA-N 0 0 450.648 4.716 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CCC2=O)cc1C ZINC001435979840 1065090618 /nfs/dbraw/zinc/09/06/18/1065090618.db2.gz ZFOCBSSUGUKJRD-KRWDZBQOSA-N 0 0 454.983 4.781 20 0 JJADRN COc1ccccc1[C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)OC(C)C ZINC001435979117 1065090727 /nfs/dbraw/zinc/09/07/27/1065090727.db2.gz VLWIGFXWSZNFNL-XMMPIXPASA-N 0 0 450.510 4.983 20 0 JJADRN COc1ccc2c(c1)nc(CNC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)n2C ZINC001435979274 1065090838 /nfs/dbraw/zinc/09/08/38/1065090838.db2.gz AGBHGKWPAIVROW-QHCPKHFHSA-N 0 0 453.901 4.811 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228575 1065091087 /nfs/dbraw/zinc/09/10/87/1065091087.db2.gz RHXPTNSCEVVTKO-GVXSCFBNSA-N 0 0 454.655 4.738 20 0 JJADRN COc1ccc(Cn2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 ZINC001435979845 1065091292 /nfs/dbraw/zinc/09/12/92/1065091292.db2.gz FJTUYAHBRQFVLM-UHFFFAOYSA-N 0 0 459.403 4.536 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)CCOc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360228653 1065091437 /nfs/dbraw/zinc/09/14/37/1065091437.db2.gz SKADJBYIFCLXDY-KDYSTLNUSA-N 0 0 450.623 4.776 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c2ccccc21 ZINC001435982805 1065091511 /nfs/dbraw/zinc/09/15/11/1065091511.db2.gz KDEXFXQUNREZKE-JKSUJKDBSA-N 0 0 455.274 4.709 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360231263 1065091845 /nfs/dbraw/zinc/09/18/45/1065091845.db2.gz GYOQJRMAWROTNU-PKOBYXMFSA-N 0 0 488.057 4.810 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001360231515 1065091930 /nfs/dbraw/zinc/09/19/30/1065091930.db2.gz LVUKHQUCIDBUMI-JPYJTQIMSA-N 0 0 454.998 4.535 20 0 JJADRN O=C(Cc1ccc(-n2cccn2)cc1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001435983717 1065092131 /nfs/dbraw/zinc/09/21/31/1065092131.db2.gz QJZFLRKSSPQKJK-GOSISDBHSA-N 0 0 452.274 4.987 20 0 JJADRN Cc1ccc2c(c1)S[C@H](C(=O)Nc1nc3ccc(I)cc3s1)C2 ZINC001435983945 1065092367 /nfs/dbraw/zinc/09/23/67/1065092367.db2.gz CXPJNGWFDSLBQJ-HNNXBMFYSA-N 0 0 452.342 4.865 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)OCc2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC001435984170 1065092444 /nfs/dbraw/zinc/09/24/44/1065092444.db2.gz GNJFKXMISOUTGL-UKRRQHHQSA-N 0 0 455.395 4.979 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360231660 1065092354 /nfs/dbraw/zinc/09/23/54/1065092354.db2.gz PNDQRFGUDYCNDU-GVDBMIGSSA-N 0 0 469.577 4.983 20 0 JJADRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(OC(F)F)cc1 ZINC001360232733 1065092781 /nfs/dbraw/zinc/09/27/81/1065092781.db2.gz UXTHOUFPTXMION-TZMCWYRMSA-N 0 0 454.267 4.708 20 0 JJADRN COc1ccc(OC(F)F)c(COC(=O)C2(c3cc(Br)ccc3OC)CC2)c1 ZINC001360232588 1065092806 /nfs/dbraw/zinc/09/28/06/1065092806.db2.gz OJFXMQKZCHXOAM-UHFFFAOYSA-N 0 0 457.267 4.843 20 0 JJADRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001435984959 1065092925 /nfs/dbraw/zinc/09/29/25/1065092925.db2.gz HSGXQHTYXYSBDT-AWEZNQCLSA-N 0 0 456.917 4.940 20 0 JJADRN Cc1cc(C2CCN(C(=O)C(=O)c3cnn(-c4ccccc4)c3)CC2)ccc1Br ZINC001435985496 1065092959 /nfs/dbraw/zinc/09/29/59/1065092959.db2.gz VAWSWERNMPRDDU-UHFFFAOYSA-N 0 0 452.352 4.532 20 0 JJADRN COCC(=O)N1CCc2cc(NC(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)ccc21 ZINC001435986224 1065093237 /nfs/dbraw/zinc/09/32/37/1065093237.db2.gz DXPXYYNVAAJBFY-UHFFFAOYSA-N 0 0 459.546 4.959 20 0 JJADRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1cc(OCC(F)F)ccn1 ZINC001360233975 1065093809 /nfs/dbraw/zinc/09/38/09/1065093809.db2.gz TXTMVPCJKNYJEY-QGZVFWFLSA-N 0 0 458.292 4.666 20 0 JJADRN COc1cc(C(=O)NCC2CCSCC2)ccc1OCc1ccc(Br)s1 ZINC001360235782 1065094253 /nfs/dbraw/zinc/09/42/53/1065094253.db2.gz DIVXUBXYNKOHTF-UHFFFAOYSA-N 0 0 456.427 4.971 20 0 JJADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC001435988061 1065094703 /nfs/dbraw/zinc/09/47/03/1065094703.db2.gz RPYMKISVPLMACQ-OAQYLSRUSA-N 0 0 458.986 4.961 20 0 JJADRN O=C(NC[C@@H]1CCc2ccccc21)c1ccc(I)c(Br)c1 ZINC001360238657 1065095058 /nfs/dbraw/zinc/09/50/58/1065095058.db2.gz AMNPEROLGQYRMV-ZDUSSCGKSA-N 0 0 456.121 4.514 20 0 JJADRN CN(C)c1ncn(-c2cccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)c2)n1 ZINC001435988572 1065095219 /nfs/dbraw/zinc/09/52/19/1065095219.db2.gz SQROEBWXWDQTGC-UHFFFAOYSA-N 0 0 456.934 4.586 20 0 JJADRN CCS[C@@H]1CCCCN(C(=O)c2cc(Cl)c(I)cc2OC)C1 ZINC001360242187 1065095522 /nfs/dbraw/zinc/09/55/22/1065095522.db2.gz IGDFTWIAWBPSMI-LLVKDONJSA-N 0 0 453.773 4.701 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2-n2cccn2)cc1 ZINC001360240299 1065095660 /nfs/dbraw/zinc/09/56/60/1065095660.db2.gz SQVFVTNNMJIBAL-UHFFFAOYSA-N 0 0 455.356 4.549 20 0 JJADRN C[C@H](CS(C)(=O)=O)N(C)C(=O)c1oc2ccccc2c1CSc1ccccc1Cl ZINC001360241947 1065095738 /nfs/dbraw/zinc/09/57/38/1065095738.db2.gz DYUVUTCLAWBDCZ-CQSZACIVSA-N 0 0 451.997 4.884 20 0 JJADRN CON(C)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2sc3ccccc3c2C)ccc1Cl ZINC001435990622 1065096041 /nfs/dbraw/zinc/09/60/41/1065096041.db2.gz VLQMHMMEKKANAU-CYBMUJFWSA-N 0 0 453.969 4.963 20 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COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3OCCC(F)(F)F)n2)cc1 ZINC001436012589 1065110046 /nfs/dbraw/zinc/11/00/46/1065110046.db2.gz QXCUACRPCKASMK-UHFFFAOYSA-N 0 0 453.392 4.787 20 0 JJADRN O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001360267515 1065110751 /nfs/dbraw/zinc/11/07/51/1065110751.db2.gz WBOUZTRKLLLDAN-UHFFFAOYSA-N 0 0 456.951 4.612 20 0 JJADRN CC(C)COc1ncc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1Cl ZINC001360267766 1065110828 /nfs/dbraw/zinc/11/08/28/1065110828.db2.gz DZNOFXPLIKAEEK-UHFFFAOYSA-N 0 0 458.967 4.996 20 0 JJADRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC001436013393 1065110795 /nfs/dbraw/zinc/11/07/95/1065110795.db2.gz SKDKVQHNSTVVSQ-UHFFFAOYSA-N 0 0 459.015 4.798 20 0 JJADRN Cc1ccc(CN(Cc2cccs2)C(=O)CCOC2CCOCC2)c(Br)c1 ZINC001436013878 1065111354 /nfs/dbraw/zinc/11/13/54/1065111354.db2.gz YFROXBRKVGZFCG-UHFFFAOYSA-N 0 0 452.414 4.934 20 0 JJADRN CC1(C)SC[C@@H]1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC001436013719 1065111376 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JJADRN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001436015299 1065113678 /nfs/dbraw/zinc/11/36/78/1065113678.db2.gz MMMIOMORMONTAX-HXUWFJFHSA-N 0 0 459.546 4.791 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1Br)C1(n2cc(Br)cn2)CC1 ZINC001436016299 1065114244 /nfs/dbraw/zinc/11/42/44/1065114244.db2.gz IHNDEXXDUHXXPF-UHFFFAOYSA-N 0 0 453.056 4.555 20 0 JJADRN CO[C@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)[C@H](C)C1 ZINC001436016138 1065114426 /nfs/dbraw/zinc/11/44/26/1065114426.db2.gz ZHKNYMNAQFTPQX-CJNGLKHVSA-N 0 0 450.486 4.654 20 0 JJADRN COc1ccc(-n2c(SCC(=O)N(C)CCCSC)nnc2-c2ccc(C)cc2)cc1 ZINC001436016472 1065115065 /nfs/dbraw/zinc/11/50/65/1065115065.db2.gz KNCUEPBJBMEWNA-UHFFFAOYSA-N 0 0 456.637 4.555 20 0 JJADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(C)ccc1OCc1ccccc1 ZINC001436016517 1065115130 /nfs/dbraw/zinc/11/51/30/1065115130.db2.gz HNZVTCOSBQOOQP-RUZDIDTESA-N 0 0 459.521 4.880 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)cc1 ZINC001436016387 1065115165 /nfs/dbraw/zinc/11/51/65/1065115165.db2.gz IPEUQNOSLIFCDN-PKTZIBPZSA-N 0 0 452.620 4.820 20 0 JJADRN O=C(Nc1c(Cl)cc(NC(=O)[C@@]2(c3ccccc3)CCCO2)cc1Cl)c1cnccn1 ZINC001360275674 1065116589 /nfs/dbraw/zinc/11/65/89/1065116589.db2.gz QOTMXHHWSXBYNF-QFIPXVFZSA-N 0 0 457.317 4.680 20 0 JJADRN CC(C)[C@H](C(=O)NCCOc1ccc(I)cc1)c1cccc(Cl)c1 ZINC001436019178 1065116755 /nfs/dbraw/zinc/11/67/55/1065116755.db2.gz FDOAGUWXYALQJN-SFHVURJKSA-N 0 0 457.739 4.879 20 0 JJADRN Cc1ccc([C@H]2CSCCN2C(=O)c2ncc(Br)cc2Br)cc1 ZINC001360276047 1065117339 /nfs/dbraw/zinc/11/73/39/1065117339.db2.gz HWBDNSWWZARAPX-OAHLLOKOSA-N 0 0 456.203 4.845 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(OCc4ccccc4)cn3)s2)c1 ZINC001360277031 1065118754 /nfs/dbraw/zinc/11/87/54/1065118754.db2.gz WOFGULWLBCIGDH-UHFFFAOYSA-N 0 0 459.527 4.747 20 0 JJADRN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001436020933 1065118923 /nfs/dbraw/zinc/11/89/23/1065118923.db2.gz VUVKWDATVTXBHG-LSDHHAIUSA-N 0 0 453.739 4.820 20 0 JJADRN COc1ccc([C@@H](NC(=O)[C@H]2CCOc3c(F)cccc32)c2ccc(OC)cc2OC)cc1 ZINC001360278277 1065119323 /nfs/dbraw/zinc/11/93/23/1065119323.db2.gz IOJLJYOOSQUVDT-GBXCKJPGSA-N 0 0 451.494 4.623 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3c(c2)COC3)[C@H](c2cccc(Cl)c2)C1 ZINC001436022337 1065119384 /nfs/dbraw/zinc/11/93/84/1065119384.db2.gz NMTBXZDUFJBSKR-QFIPXVFZSA-N 0 0 456.970 4.733 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2cc(-c3ccccc3)on2)c2ccc(OC)cc2OC)cc1 ZINC001360278734 1065120173 /nfs/dbraw/zinc/12/01/73/1065120173.db2.gz PSVXAPPPJFTJGR-MHZLTWQESA-N 0 0 458.514 4.816 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1 ZINC001360278458 1065120218 /nfs/dbraw/zinc/12/02/18/1065120218.db2.gz LDLIPNGSUJRMKE-UHFFFAOYSA-N 0 0 450.438 4.939 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001436022473 1065120167 /nfs/dbraw/zinc/12/01/67/1065120167.db2.gz MTBSZGTVUGJBPZ-WSNOQYBDSA-N 0 0 456.558 4.582 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001436022800 1065120230 /nfs/dbraw/zinc/12/02/30/1065120230.db2.gz SZVFHPGHQMMQGJ-SANMLTNESA-N 0 0 452.551 4.517 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2cc(-c3ccccc3)on2)c2ccc(OC)cc2OC)cc1 ZINC001360278733 1065120255 /nfs/dbraw/zinc/12/02/55/1065120255.db2.gz PSVXAPPPJFTJGR-HHHXNRCGSA-N 0 0 458.514 4.816 20 0 JJADRN Cc1cccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1Br ZINC001436023510 1065120953 /nfs/dbraw/zinc/12/09/53/1065120953.db2.gz RFQBCKBEWRVMNP-UHFFFAOYSA-N 0 0 450.383 4.638 20 0 JJADRN C[C@@H]1CN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)C[C@@]2(CCOC2)O1 ZINC001436023360 1065120968 /nfs/dbraw/zinc/12/09/68/1065120968.db2.gz UNPWFQNILFCFTI-LRTDBIEQSA-N 0 0 455.407 4.801 20 0 JJADRN O=C(Nc1cccc(CSC2CCOCC2)c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001360280319 1065121466 /nfs/dbraw/zinc/12/14/66/1065121466.db2.gz QHWSMLDDCIWJDJ-LJQANCHMSA-N 0 0 459.011 4.739 20 0 JJADRN COC(=O)c1ccccc1CC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br ZINC001436023981 1065121558 /nfs/dbraw/zinc/12/15/58/1065121558.db2.gz UWUGNRRXPXFXAU-UHFFFAOYSA-N 0 0 456.336 4.909 20 0 JJADRN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 ZINC001360281693 1065122154 /nfs/dbraw/zinc/12/21/54/1065122154.db2.gz JNTYYLGEOLPQLW-ZACQAIPSSA-N 0 0 457.434 4.805 20 0 JJADRN COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)c1ccc(SC)cc1)C2 ZINC001360280580 1065122301 /nfs/dbraw/zinc/12/23/01/1065122301.db2.gz SXUKBKLYXOVAJE-LJQANCHMSA-N 0 0 458.580 4.755 20 0 JJADRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001436027546 1065122745 /nfs/dbraw/zinc/12/27/45/1065122745.db2.gz JNZZDYCHYMQNFT-UHFFFAOYSA-N 0 0 457.983 4.732 20 0 JJADRN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC001436027754 1065122782 /nfs/dbraw/zinc/12/27/82/1065122782.db2.gz ARSKAQJLUJUUDY-ZDUSSCGKSA-N 0 0 459.395 4.811 20 0 JJADRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)COCc2ccc(C)cc2)cc1 ZINC001436028204 1065123476 /nfs/dbraw/zinc/12/34/76/1065123476.db2.gz DUJLUHBKZIDZQW-DEOSSOPVSA-N 0 0 452.595 4.895 20 0 JJADRN CO[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl ZINC001436028646 1065124151 /nfs/dbraw/zinc/12/41/51/1065124151.db2.gz HKLJYSUPZFMSGN-VXKWHMMOSA-N 0 0 458.986 4.718 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c2cnn(Cc3cccs3)c2n1 ZINC001360284855 1065124196 /nfs/dbraw/zinc/12/41/96/1065124196.db2.gz NHOBIMQECZEGSM-SSEXGKCCSA-N 0 0 458.996 4.634 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2OCCc3ccccc32)[C@H](c2cccc(F)c2)C1 ZINC001436029073 1065124721 /nfs/dbraw/zinc/12/47/21/1065124721.db2.gz LBLUNQMBPZXWHX-XZOQPEGZSA-N 0 0 454.542 4.650 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(CC1CC1)C1CCCCC1 ZINC001360286113 1065124824 /nfs/dbraw/zinc/12/48/24/1065124824.db2.gz XUJYXHPAUFAZNN-UHFFFAOYSA-N 0 0 492.437 4.920 20 0 JJADRN O=C(NC[C@H]1OCCc2ccccc21)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001360286569 1065124976 /nfs/dbraw/zinc/12/49/76/1065124976.db2.gz KYLOITGSYYMCQL-DHIUTWEWSA-N 0 0 452.348 4.999 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCC1CCOCC1 ZINC001360285901 1065124983 /nfs/dbraw/zinc/12/49/83/1065124983.db2.gz SKHOTFKOMSNVOX-UHFFFAOYSA-N 0 0 476.046 4.591 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001360287087 1065125542 /nfs/dbraw/zinc/12/55/42/1065125542.db2.gz AFVOHQFSDBYZPX-HNNXBMFYSA-N 0 0 494.865 4.902 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001360287166 1065125588 /nfs/dbraw/zinc/12/55/88/1065125588.db2.gz CJAZPBVCBWUBPK-ZDUSSCGKSA-N 0 0 480.407 4.630 20 0 JJADRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001360287073 1065125596 /nfs/dbraw/zinc/12/55/96/1065125596.db2.gz ZZRAUTJHZTZPHW-KRWDZBQOSA-N 0 0 457.423 4.821 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC2CCC(F)(F)CC2)C1 ZINC001436029817 1065126088 /nfs/dbraw/zinc/12/60/88/1065126088.db2.gz DCNDDEBIZPUDTQ-MRXNPFEDSA-N 0 0 457.359 4.551 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001360287500 1065126169 /nfs/dbraw/zinc/12/61/69/1065126169.db2.gz OINNKZNYXIXCHX-QOKNQOGYSA-N 0 0 494.865 4.901 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001360287786 1065126248 /nfs/dbraw/zinc/12/62/48/1065126248.db2.gz YLPDZNRZWCVRPF-CYBMUJFWSA-N 0 0 492.418 4.557 20 0 JJADRN CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001360287167 1065126255 /nfs/dbraw/zinc/12/62/55/1065126255.db2.gz CJFOCRLVCBWJFL-INIZCTEOSA-N 0 0 498.411 4.555 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@@H](c2ccccc2Cl)C1 ZINC001436030502 1065126599 /nfs/dbraw/zinc/12/65/99/1065126599.db2.gz WMGXNOHSZTYHFZ-WIYYLYMNSA-N 0 0 456.970 4.712 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@H](c2ccccc2Cl)C1 ZINC001436030501 1065126605 /nfs/dbraw/zinc/12/66/05/1065126605.db2.gz WMGXNOHSZTYHFZ-RXVVDRJESA-N 0 0 456.970 4.712 20 0 JJADRN Cn1cnc2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3Cl)c21 ZINC001436030489 1065126723 /nfs/dbraw/zinc/12/67/23/1065126723.db2.gz VTPFIBXIKQHAKT-FQEVSTJZSA-N 0 0 454.958 4.661 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)[C@@H](C)C1 ZINC001360292508 1065127523 /nfs/dbraw/zinc/12/75/23/1065127523.db2.gz XZFWEGQHUUEHKK-DXIQSLLYSA-N 0 0 450.608 4.879 20 0 JJADRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)OCc1c(F)ccc(Br)c1F ZINC001436031681 1065127962 /nfs/dbraw/zinc/12/79/62/1065127962.db2.gz DCPABFMFYHDKAT-UHFFFAOYSA-N 0 0 452.173 4.514 20 0 JJADRN Cc1c(C(=O)OCc2c(F)ccc(Br)c2F)nnn1-c1cccc2cnccc21 ZINC001436031852 1065128025 /nfs/dbraw/zinc/12/80/25/1065128025.db2.gz GQTSEVJRMCHOII-UHFFFAOYSA-N 0 0 459.250 4.522 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001360293714 1065128296 /nfs/dbraw/zinc/12/82/96/1065128296.db2.gz QBJRCMYMWPBAPX-QHCPKHFHSA-N 0 0 458.558 4.694 20 0 JJADRN Cc1cc(Cl)nc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001436032064 1065128621 /nfs/dbraw/zinc/12/86/21/1065128621.db2.gz WAZXQBHMEPNXRI-YWZLYKJASA-N 0 0 452.357 4.840 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC001436032140 1065128694 /nfs/dbraw/zinc/12/86/94/1065128694.db2.gz DFSRNDIGOZALPU-QFIPXVFZSA-N 0 0 453.583 4.596 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)C1 ZINC001436032137 1065128778 /nfs/dbraw/zinc/12/87/78/1065128778.db2.gz DEQQEGSBKBUWLL-JOCHJYFZSA-N 0 0 452.517 4.987 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3Br)C2)C1 ZINC001436032270 1065129339 /nfs/dbraw/zinc/12/93/39/1065129339.db2.gz DVDPLLOJLMORTR-FQEVSTJZSA-N 0 0 457.796 4.966 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001360296288 1065129450 /nfs/dbraw/zinc/12/94/50/1065129450.db2.gz GMWCIQMBZCWXOS-HUUCEWRRSA-N 0 0 464.349 4.947 20 0 JJADRN Cn1ncc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1C(F)(F)F ZINC001360296188 1065129519 /nfs/dbraw/zinc/12/95/19/1065129519.db2.gz BQLDHNGXKYSRFZ-UHFFFAOYSA-N 0 0 458.227 4.645 20 0 JJADRN O=C(c1nc(Br)c2ccccn21)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001436032986 1065129985 /nfs/dbraw/zinc/12/99/85/1065129985.db2.gz YZFMZWWINXCVHP-SFHVURJKSA-N 0 0 456.237 4.827 20 0 JJADRN CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1 ZINC001436033412 1065130522 /nfs/dbraw/zinc/13/05/22/1065130522.db2.gz MYZGIZAZDYXCDE-WMZHIEFXSA-N 0 0 453.583 4.793 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC001360297372 1065130687 /nfs/dbraw/zinc/13/06/87/1065130687.db2.gz RZKSXJDPRSWMFT-DLLPINGYSA-N 0 0 456.677 4.997 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc2cccc3c2CCC(C)(C)O3)c1 ZINC001436034312 1065131520 /nfs/dbraw/zinc/13/15/20/1065131520.db2.gz DKGHTYNZDPLVGK-FQEVSTJZSA-N 0 0 455.551 4.840 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C2)C1 ZINC001436034926 1065131541 /nfs/dbraw/zinc/13/15/41/1065131541.db2.gz XVCCVAPTPXRBTI-DEOSSOPVSA-N 0 0 459.587 4.741 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001436034870 1065131548 /nfs/dbraw/zinc/13/15/48/1065131548.db2.gz XFXKMJYZVXPMIF-SANMLTNESA-N 0 0 453.583 4.887 20 0 JJADRN CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360297957 1065131633 /nfs/dbraw/zinc/13/16/33/1065131633.db2.gz HICZZWSDPCCTAM-GOSISDBHSA-N 0 0 480.078 4.532 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC001360297374 1065131679 /nfs/dbraw/zinc/13/16/79/1065131679.db2.gz RZKSXJDPRSWMFT-WBBHLRKXSA-N 0 0 456.677 4.997 20 0 JJADRN COc1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)ccc1OC1CCCC1 ZINC001436035465 1065131947 /nfs/dbraw/zinc/13/19/47/1065131947.db2.gz VBBQDKMVYVJCLY-QGZVFWFLSA-N 0 0 450.304 4.782 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)CCc3cccc(Br)c3)C2)C1 ZINC001436035156 1065131961 /nfs/dbraw/zinc/13/19/61/1065131961.db2.gz ZNBSJOWKDWOYJE-JOCHJYFZSA-N 0 0 451.405 4.631 20 0 JJADRN COc1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)ccc1OC1CCCC1 ZINC001436035463 1065131981 /nfs/dbraw/zinc/13/19/81/1065131981.db2.gz VBBQDKMVYVJCLY-KRWDZBQOSA-N 0 0 450.304 4.782 20 0 JJADRN CC(C)COc1ccc(NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)cn1 ZINC001360299851 1065132181 /nfs/dbraw/zinc/13/21/81/1065132181.db2.gz WGSWUOASQUCILP-NRFANRHFSA-N 0 0 452.555 4.672 20 0 JJADRN CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001360298112 1065132207 /nfs/dbraw/zinc/13/22/07/1065132207.db2.gz MSYWMDXBFMTNAY-CQSZACIVSA-N 0 0 475.968 4.527 20 0 JJADRN CSc1ccccc1[C@@H](C)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001436036451 1065132951 /nfs/dbraw/zinc/13/29/51/1065132951.db2.gz QLLKGTSHQYXOQJ-CQSZACIVSA-N 0 0 456.427 4.602 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001360300026 1065132979 /nfs/dbraw/zinc/13/29/79/1065132979.db2.gz CEQARQKZBQLIBH-BGOLNKOXSA-N 0 0 452.601 4.689 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc2)n1 ZINC001360300376 1065133554 /nfs/dbraw/zinc/13/35/54/1065133554.db2.gz NAFJXMVVPFIFIB-UHFFFAOYSA-N 0 0 457.412 4.722 20 0 JJADRN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)Cn1c(=O)oc2ccccc21 ZINC001436038931 1065134190 /nfs/dbraw/zinc/13/41/90/1065134190.db2.gz YXJFAYNXKQCQPF-UHFFFAOYSA-N 0 0 457.741 4.872 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(F)(F)F)CC2)cc1 ZINC001360301628 1065134374 /nfs/dbraw/zinc/13/43/74/1065134374.db2.gz DHBDPYPWJCJSIN-UHFFFAOYSA-N 0 0 475.519 4.630 20 0 JJADRN COC(=O)c1cn(CC(=O)N2CCC(c3cccc(Br)c3)CC2)c2ccccc12 ZINC001436040406 1065134948 /nfs/dbraw/zinc/13/49/48/1065134948.db2.gz LLASYAOEEOOLBO-UHFFFAOYSA-N 0 0 455.352 4.597 20 0 JJADRN C[C@H]1[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001436040595 1065135628 /nfs/dbraw/zinc/13/56/28/1065135628.db2.gz NVRASQYHJAVBDM-KXBFYZLASA-N 0 0 451.405 4.801 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2c(C)nn(C3CCOCC3)c2C)cc1 ZINC001360302821 1065135762 /nfs/dbraw/zinc/13/57/62/1065135762.db2.gz NZXWETMBNRQEEC-DNQXCXABSA-N 0 0 455.599 4.760 20 0 JJADRN CCCCCS(=O)(=O)CC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001436041577 1065135786 /nfs/dbraw/zinc/13/57/86/1065135786.db2.gz KKIOHDYTYNIWFM-UHFFFAOYSA-N 0 0 458.349 4.924 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001360303331 1065136420 /nfs/dbraw/zinc/13/64/20/1065136420.db2.gz AETGDMWUPVZOFI-PZJWPPBQSA-N 0 0 455.551 4.631 20 0 JJADRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)cc1 ZINC001360303330 1065136434 /nfs/dbraw/zinc/13/64/34/1065136434.db2.gz AETGDMWUPVZOFI-FPOVZHCZSA-N 0 0 455.551 4.631 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N(C)C[C@H]2CCCCO2)cc1 ZINC001360304706 1065137850 /nfs/dbraw/zinc/13/78/50/1065137850.db2.gz OUKRRQDJIUIYHU-JOCHJYFZSA-N 0 0 454.619 4.519 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc1 ZINC001436043279 1065137908 /nfs/dbraw/zinc/13/79/08/1065137908.db2.gz HXQLVGHOJMCRBX-OAQYLSRUSA-N 0 0 455.555 4.648 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CCC=C(Br)C2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001436043313 1065137922 /nfs/dbraw/zinc/13/79/22/1065137922.db2.gz WLNIGRPEYONFQH-HNNXBMFYSA-N 0 0 458.784 4.510 20 0 JJADRN COc1ccc(CN(C(=O)Cc2cc(Br)ccc2F)[C@H](C)C2CC2)c(OC)c1 ZINC001436043476 1065137932 /nfs/dbraw/zinc/13/79/32/1065137932.db2.gz GUDPQLGSEUNCQI-CQSZACIVSA-N 0 0 450.348 4.975 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c(OC)c1 ZINC001436043064 1065137951 /nfs/dbraw/zinc/13/79/51/1065137951.db2.gz UOHGCBCANWXLOX-UHFFFAOYSA-N 0 0 453.514 4.573 20 0 JJADRN CC(C)NC(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 ZINC001360304700 1065137986 /nfs/dbraw/zinc/13/79/86/1065137986.db2.gz ONEQSMSJZXTXCH-SANMLTNESA-N 0 0 468.646 4.765 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)CC2)c1 ZINC001436043874 1065138523 /nfs/dbraw/zinc/13/85/23/1065138523.db2.gz OBFZDFUEHXMACH-INIZCTEOSA-N 0 0 457.571 4.862 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccccc3OCc3ccncc3)CC2)c1 ZINC001436043489 1065138650 /nfs/dbraw/zinc/13/86/50/1065138650.db2.gz LYDIOEHVPBGMLZ-UHFFFAOYSA-N 0 0 450.510 4.779 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)[C@@H](C)C2CC2)c(OC)c1 ZINC001436044993 1065139898 /nfs/dbraw/zinc/13/98/98/1065139898.db2.gz OIMZETJSVSJRIR-IBGZPJMESA-N 0 0 452.595 4.759 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C1CC1 ZINC001360305915 1065141183 /nfs/dbraw/zinc/14/11/83/1065141183.db2.gz KFYNHDSYIZWGOT-IBGZPJMESA-N 0 0 450.366 4.520 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(CNC(=O)OC(C)C)cc3)c2c1C ZINC001360306954 1065141800 /nfs/dbraw/zinc/14/18/00/1065141800.db2.gz IPPFNUGZVRFFFD-UHFFFAOYSA-N 0 0 458.609 4.982 20 0 JJADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)CC2=O)cc1 ZINC001360306924 1065141856 /nfs/dbraw/zinc/14/18/56/1065141856.db2.gz IDJNFLBWBLEMHG-RXVVDRJESA-N 0 0 457.530 4.777 20 0 JJADRN Cc1cc(C)c(CC(=O)N(CC(=O)N2CCCCC2)c2ccccc2)c(C)c1Br ZINC001360306460 1065142013 /nfs/dbraw/zinc/14/20/13/1065142013.db2.gz ZHHPMSKHEGYETD-UHFFFAOYSA-N 0 0 457.412 4.963 20 0 JJADRN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCCc1ccc(C2CC2)cc1 ZINC001436047649 1065142047 /nfs/dbraw/zinc/14/20/47/1065142047.db2.gz GMDMCIMZZGOSFF-UHFFFAOYSA-N 0 0 453.384 4.889 20 0 JJADRN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC001436049259 1065143154 /nfs/dbraw/zinc/14/31/54/1065143154.db2.gz YBDHBAWMQWGFTB-YVWKXTFCSA-N 0 0 454.396 4.588 20 0 JJADRN Cc1ccc(NC(=O)Cc2cccc(I)c2)cc1NC(=O)C(C)(C)C ZINC001360308241 1065143152 /nfs/dbraw/zinc/14/31/52/1065143152.db2.gz IANBOULKUZHXEE-UHFFFAOYSA-N 0 0 450.320 4.765 20 0 JJADRN O=C(CCc1cccnc1Cl)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308437 1065143830 /nfs/dbraw/zinc/14/38/30/1065143830.db2.gz LFPSCABJWOLRLB-UHFFFAOYSA-N 0 0 450.894 4.558 20 0 JJADRN COc1ccccc1/C(C)=C/C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001360308643 1065143884 /nfs/dbraw/zinc/14/38/84/1065143884.db2.gz PGJRONPIZDKQDB-FOWTUZBSSA-N 0 0 457.498 4.989 20 0 JJADRN O=C(CN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccccc1)N1CCCCC1 ZINC001360308839 1065144452 /nfs/dbraw/zinc/14/44/52/1065144452.db2.gz SUNFBJQLTYXZHV-UHFFFAOYSA-N 0 0 456.468 4.550 20 0 JJADRN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001436050981 1065145198 /nfs/dbraw/zinc/14/51/98/1065145198.db2.gz QRHLYDRMGINMGE-BTDLBPIBSA-N 0 0 450.766 4.530 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1)OCc1ccccc1 ZINC001436051103 1065145325 /nfs/dbraw/zinc/14/53/25/1065145325.db2.gz VGYOCHONDDTGFM-RVKKMQEKSA-N 0 0 458.839 4.904 20 0 JJADRN O=C(N[C@H]1C[C@@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1)OCc1ccccc1 ZINC001436051102 1065145461 /nfs/dbraw/zinc/14/54/61/1065145461.db2.gz VGYOCHONDDTGFM-DAYGRLMNSA-N 0 0 458.839 4.904 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001436052422 1065145961 /nfs/dbraw/zinc/14/59/61/1065145961.db2.gz QZMLRVDYUNVYFJ-NLFFAJNJSA-N 0 0 452.636 4.536 20 0 JJADRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C1 ZINC001436052420 1065146042 /nfs/dbraw/zinc/14/60/42/1065146042.db2.gz QZMLRVDYUNVYFJ-CPJSRVTESA-N 0 0 452.636 4.536 20 0 JJADRN CCc1nc(C(=O)N2Cc3cccc(Br)c3C[C@H]2CC)nn1-c1ccccc1F ZINC001436052516 1065146055 /nfs/dbraw/zinc/14/60/55/1065146055.db2.gz HANGXASJAKEOEP-OAHLLOKOSA-N 0 0 457.347 4.708 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001436052429 1065146082 /nfs/dbraw/zinc/14/60/82/1065146082.db2.gz DXPAULVDBOMRLZ-UHFFFAOYSA-N 0 0 453.351 4.661 20 0 JJADRN C[C@H](NC(=O)[C@@H](C)c1ccc(I)cc1)c1nc(C(F)(F)F)cs1 ZINC001436052814 1065146504 /nfs/dbraw/zinc/14/65/04/1065146504.db2.gz ALQPFRJUDAODCV-IUCAKERBSA-N 0 0 454.255 4.747 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001436052723 1065146614 /nfs/dbraw/zinc/14/66/14/1065146614.db2.gz ILHZMPVQKQLTAQ-YSNUMNBNSA-N 0 0 450.417 4.867 20 0 JJADRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)CCCNC(=O)OCc1ccccc1 ZINC001436053108 1065146631 /nfs/dbraw/zinc/14/66/31/1065146631.db2.gz JUVIBIIXIJUDOV-LJQANCHMSA-N 0 0 459.384 4.819 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360310477 1065147195 /nfs/dbraw/zinc/14/71/95/1065147195.db2.gz DVHULXNSNGEBLR-ZWKOTPCHSA-N 0 0 461.356 4.771 20 0 JJADRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001436053815 1065147504 /nfs/dbraw/zinc/14/75/04/1065147504.db2.gz QMZVOXPJSYFZRU-QGZVFWFLSA-N 0 0 458.971 4.932 20 0 JJADRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1sc2ccccc2c1Br ZINC001436054539 1065148018 /nfs/dbraw/zinc/14/80/18/1065148018.db2.gz FBQMWLJVUHJZJK-INIZCTEOSA-N 0 0 459.365 4.834 20 0 JJADRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 ZINC001360311703 1065148419 /nfs/dbraw/zinc/14/84/19/1065148419.db2.gz WQGPUMVUMRBXBS-HXUWFJFHSA-N 0 0 459.384 4.895 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC001360311444 1065148500 /nfs/dbraw/zinc/14/85/00/1065148500.db2.gz VSUFTLOLXWGAGE-UHFFFAOYSA-N 0 0 459.399 4.683 20 0 JJADRN CCCCSCC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360313735 1065149317 /nfs/dbraw/zinc/14/93/17/1065149317.db2.gz SUMATIHFYOHWBM-UHFFFAOYSA-N 0 0 450.601 4.715 20 0 JJADRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC001436057178 1065149916 /nfs/dbraw/zinc/14/99/16/1065149916.db2.gz UOOZXCLGHUMYQN-GFCCVEGCSA-N 0 0 459.449 4.762 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC001436057581 1065149954 /nfs/dbraw/zinc/14/99/54/1065149954.db2.gz VUQYVOXORMJNOR-IBGZPJMESA-N 0 0 457.324 4.674 20 0 JJADRN Cc1c(C(=O)NCCCc2ccc(Br)cc2F)cnn1-c1ccc(F)cc1F ZINC001360316956 1065149957 /nfs/dbraw/zinc/14/99/57/1065149957.db2.gz CACYQJYTVJQPTP-UHFFFAOYSA-N 0 0 452.274 4.723 20 0 JJADRN C[C@@H](CC(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC001360317224 1065150450 /nfs/dbraw/zinc/15/04/50/1065150450.db2.gz LYRBADSIRIDJOU-YVEFUNNKSA-N 0 0 452.853 4.748 20 0 JJADRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001436058077 1065150529 /nfs/dbraw/zinc/15/05/29/1065150529.db2.gz XRVJMTJYHWCAOI-HXUWFJFHSA-N 0 0 455.967 4.558 20 0 JJADRN CC(C)c1nc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)nn1-c1c(Cl)cccc1Cl ZINC001436059276 1065151089 /nfs/dbraw/zinc/15/10/89/1065151089.db2.gz NVYPUTYDUTXOCZ-UHFFFAOYSA-N 0 0 456.333 4.802 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC001360317703 1065151219 /nfs/dbraw/zinc/15/12/19/1065151219.db2.gz CXDHGFFARTXKSD-UHFFFAOYSA-N 0 0 451.573 4.706 20 0 JJADRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001360318320 1065151952 /nfs/dbraw/zinc/15/19/52/1065151952.db2.gz LBEJVUXEOXJDOH-UHFFFAOYSA-N 0 0 458.555 4.527 20 0 JJADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC001360318005 1065151971 /nfs/dbraw/zinc/15/19/71/1065151971.db2.gz KUYOKOMSZVFXIL-UHFFFAOYSA-N 0 0 456.511 4.739 20 0 JJADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)O[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl ZINC001436060900 1065152623 /nfs/dbraw/zinc/15/26/23/1065152623.db2.gz COBBFWLIKABIBM-SFHVURJKSA-N 0 0 451.972 4.876 20 0 JJADRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001436061689 1065152774 /nfs/dbraw/zinc/15/27/74/1065152774.db2.gz ITWGPIDAXUVQAX-IBGZPJMESA-N 0 0 453.445 4.892 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CCc2ccsc2)CCOC1 ZINC001360319061 1065152840 /nfs/dbraw/zinc/15/28/40/1065152840.db2.gz CDXRUIGJAWSOKY-KOSHJBKYSA-N 0 0 456.612 4.526 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2[C@@H]2C[C@H]2C(C)C)CCOC1 ZINC001360319226 1065153399 /nfs/dbraw/zinc/15/33/99/1065153399.db2.gz FKGRDTSAFIZJGF-VXJMNVAESA-N 0 0 456.631 4.699 20 0 JJADRN Cc1cc(NC(=O)Cc2cccc(OCCCOc3ccccc3)c2)n(-c2cc(C)ccn2)n1 ZINC001436061871 1065153469 /nfs/dbraw/zinc/15/34/69/1065153469.db2.gz KQCWUJBFNYCGHI-UHFFFAOYSA-N 0 0 456.546 4.913 20 0 JJADRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001436062504 1065153598 /nfs/dbraw/zinc/15/35/98/1065153598.db2.gz MGSITTFLCMMRKY-UHFFFAOYSA-N 0 0 454.449 4.792 20 0 JJADRN CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001436063309 1065154124 /nfs/dbraw/zinc/15/41/24/1065154124.db2.gz UIJDYYLDNFWXQA-QFIPXVFZSA-N 0 0 453.970 4.978 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CCOC1 ZINC001360319878 1065154946 /nfs/dbraw/zinc/15/49/46/1065154946.db2.gz OEMBHMDCXXIRKK-HOYKHHGWSA-N 0 0 489.542 4.978 20 0 JJADRN CCCOc1nc2ccccc2cc1C=CC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC001436063345 1065154923 /nfs/dbraw/zinc/15/49/23/1065154923.db2.gz VJFALTXZXIQRJA-SEYXRHQNSA-N 0 0 458.518 4.510 20 0 JJADRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436064212 1065154947 /nfs/dbraw/zinc/15/49/47/1065154947.db2.gz ORKRIZPYIPBUFA-AGUYFDCRSA-N 0 0 458.278 4.632 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H](C)Oc2cccc(F)c2)CCOC1 ZINC001360319777 1065155001 /nfs/dbraw/zinc/15/50/01/1065155001.db2.gz MWFQPQIXMVZYEO-HHJKRLRDSA-N 0 0 472.561 4.716 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CC(F)(F)C2)CCOC1 ZINC001360319967 1065155590 /nfs/dbraw/zinc/15/55/90/1065155590.db2.gz PPMGOEDDOVVUEC-NYHFZMIOSA-N 0 0 470.511 4.840 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC001436065311 1065155592 /nfs/dbraw/zinc/15/55/92/1065155592.db2.gz UGPOLUTTWMCIQJ-SUMWQHHRSA-N 0 0 452.686 4.852 20 0 JJADRN Cc1nn(C)c(Br)c1C(=O)O[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC001436065198 1065155800 /nfs/dbraw/zinc/15/58/00/1065155800.db2.gz UUELRVBKFYFEMR-CYBMUJFWSA-N 0 0 458.150 4.713 20 0 JJADRN CC1(C)C[C@@H](OC(=O)CCNC(=O)c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC001436065159 1065155876 /nfs/dbraw/zinc/15/58/76/1065155876.db2.gz SUOXBZNYGOCXOG-GOSISDBHSA-N 0 0 450.304 4.554 20 0 JJADRN COc1ccc(-c2nc(C)sc2CC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 ZINC001436067103 1065157437 /nfs/dbraw/zinc/15/74/37/1065157437.db2.gz UTRZFIWCFRBILX-UHFFFAOYSA-N 0 0 458.587 4.731 20 0 JJADRN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC001436067867 1065157515 /nfs/dbraw/zinc/15/75/15/1065157515.db2.gz FGXJQKKQRKTJIS-OAHLLOKOSA-N 0 0 457.514 4.624 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCc2ccc(Cl)s2)CCOC1 ZINC001360320996 1065157846 /nfs/dbraw/zinc/15/78/46/1065157846.db2.gz IOZYDHZJTPWHLW-QFIPXVFZSA-N 0 0 496.464 4.961 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(F)c(F)c(F)c3)n2C[C@@H]2CCC[C@H]2C)CCOC1 ZINC001360320829 1065157860 /nfs/dbraw/zinc/15/78/60/1065157860.db2.gz GHHRHLSOVFMVBN-SDWUMEBZSA-N 0 0 466.548 4.809 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cc(Br)cs3)n2CC2CCCC2)CCOC1 ZINC001360321353 1065158719 /nfs/dbraw/zinc/15/87/19/1065158719.db2.gz LCCNQCOVLRTMON-OAQYLSRUSA-N 0 0 483.476 4.969 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2cc(Cl)c(C)cc2Br)[C@H](C)S(C)(=O)=O)cc1 ZINC001436069898 1065158846 /nfs/dbraw/zinc/15/88/46/1065158846.db2.gz NQYLVMDGSLJCFU-UGSOOPFHSA-N 0 0 458.805 4.624 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)CCCc2ccc3c(c2)CCCC3)cc1C(F)(F)F ZINC001436070371 1065158860 /nfs/dbraw/zinc/15/88/60/1065158860.db2.gz NWKBZVURWUZMEX-UHFFFAOYSA-N 0 0 453.526 4.627 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(Cl)cc3F)CC2)cc1 ZINC001436070248 1065158981 /nfs/dbraw/zinc/15/89/81/1065158981.db2.gz QQKYQOBDEWTGJW-UHFFFAOYSA-N 0 0 452.979 4.666 20 0 JJADRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001436071002 1065159705 /nfs/dbraw/zinc/15/97/05/1065159705.db2.gz FMAUVUZMDBDYBA-HXUWFJFHSA-N 0 0 454.514 4.593 20 0 JJADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2F)s1 ZINC001436071784 1065160183 /nfs/dbraw/zinc/16/01/83/1065160183.db2.gz BUQQVHCYABFFRT-UHFFFAOYSA-N 0 0 450.532 4.539 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cncc(-c2ccc(OC)cc2C)c1 ZINC001436071535 1065160245 /nfs/dbraw/zinc/16/02/45/1065160245.db2.gz HVIBZWJPDLQGJS-QHCPKHFHSA-N 0 0 452.938 4.623 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001436071365 1065160301 /nfs/dbraw/zinc/16/03/01/1065160301.db2.gz XDDYTYRAGMHIMH-RLSLOFABSA-N 0 0 451.588 4.720 20 0 JJADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC001436072217 1065160991 /nfs/dbraw/zinc/16/09/91/1065160991.db2.gz FNLGHWARYCEUIH-USAXFFIDSA-N 0 0 451.564 4.517 20 0 JJADRN COc1cccc(/C=C(\CC(=O)NCC2([S@](C)=O)CCC2)c2nc3ccccc3s2)c1 ZINC001436072064 1065161067 /nfs/dbraw/zinc/16/10/67/1065161067.db2.gz PGPRWEDXTAGKDE-OXPRENTESA-N 0 0 454.617 4.653 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@@]2(C)CCCO2)CCOC1 ZINC001360323649 1065161383 /nfs/dbraw/zinc/16/13/83/1065161383.db2.gz GERPWOQLORDJFV-PKTZIBPZSA-N 0 0 482.547 4.543 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001360323518 1065161427 /nfs/dbraw/zinc/16/14/27/1065161427.db2.gz BAOSTKJAYPYWHC-UHFFFAOYSA-N 0 0 450.438 4.515 20 0 JJADRN Cc1nc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)sc1Cc1ccc(F)cc1F ZINC001436073197 1065161612 /nfs/dbraw/zinc/16/16/12/1065161612.db2.gz KRUUEIGDXADCJU-KBPBESRZSA-N 0 0 458.534 4.581 20 0 JJADRN Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)sc1Cc1ccc(F)cc1F ZINC001436073199 1065161747 /nfs/dbraw/zinc/16/17/47/1065161747.db2.gz KRUUEIGDXADCJU-ZIAGYGMSSA-N 0 0 458.534 4.581 20 0 JJADRN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)cc1F ZINC001436073184 1065161856 /nfs/dbraw/zinc/16/18/56/1065161856.db2.gz CSWZJZMEIGKUCF-UHFFFAOYSA-N 0 0 459.926 4.754 20 0 JJADRN CCOc1c(Br)cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1OC ZINC001360323834 1065162278 /nfs/dbraw/zinc/16/22/78/1065162278.db2.gz IFEUKPWSCOOAEV-UHFFFAOYSA-N 0 0 452.305 4.766 20 0 JJADRN Cc1ccc(COc2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)cc1 ZINC001360323903 1065162287 /nfs/dbraw/zinc/16/22/87/1065162287.db2.gz JKKCGQQRTOELSU-UHFFFAOYSA-N 0 0 450.560 4.539 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC001436073594 1065162341 /nfs/dbraw/zinc/16/23/41/1065162341.db2.gz YTOYFAYAVWYJMT-QGZVFWFLSA-N 0 0 452.860 4.755 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@@H]2CCCS2)CCOC1 ZINC001360324316 1065162731 /nfs/dbraw/zinc/16/27/31/1065162731.db2.gz NNHHSRUUZGZHHU-UGKGYDQZSA-N 0 0 495.487 4.613 20 0 JJADRN COc1cc(I)c(Cl)cc1CNC(=O)c1ccc(Cl)cc1F ZINC001436074580 1065162885 /nfs/dbraw/zinc/16/28/85/1065162885.db2.gz RHXNWUMRCBXYAR-UHFFFAOYSA-N 0 0 454.066 4.676 20 0 JJADRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC001360324434 1065163692 /nfs/dbraw/zinc/16/36/92/1065163692.db2.gz UOGCIWBEPVCURA-UHFFFAOYSA-N 0 0 450.297 4.646 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3ccco3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 ZINC001360324334 1065163763 /nfs/dbraw/zinc/16/37/63/1065163763.db2.gz NUAXLSBZCUHKAQ-XMMPIXPASA-N 0 0 473.643 4.545 20 0 JJADRN CCOC(=O)C1(CC(=O)Nc2nc(C)c(Cc3cccc(Cl)c3F)s2)CCOCC1 ZINC001436074857 1065163774 /nfs/dbraw/zinc/16/37/74/1065163774.db2.gz FKWCCVDXUMHIFR-UHFFFAOYSA-N 0 0 454.951 4.523 20 0 JJADRN CC(C)(NC(=O)c1cc(Br)cc(I)c1)c1cccs1 ZINC001360324635 1065164316 /nfs/dbraw/zinc/16/43/16/1065164316.db2.gz YCXHFHHCRGIPIR-UHFFFAOYSA-N 0 0 450.139 4.780 20 0 JJADRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001436076526 1065164369 /nfs/dbraw/zinc/16/43/69/1065164369.db2.gz WGVXIZCHFGSCRH-OAQYLSRUSA-N 0 0 451.369 4.744 20 0 JJADRN O=C(Oc1cc(Br)cc(F)c1F)c1ccc(I)cc1F ZINC001436076288 1065164377 /nfs/dbraw/zinc/16/43/77/1065164377.db2.gz MJROIHLTLISNOB-UHFFFAOYSA-N 0 0 456.983 4.690 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)Cc3cccs3)n2CCOc2cccc(Cl)c2)CCOC1 ZINC001360324803 1065165781 /nfs/dbraw/zinc/16/57/81/1065165781.db2.gz SAJQFRCPHNRKGR-HSZRJFAPSA-N 0 0 477.030 4.749 20 0 JJADRN Cc1cc(-n2cc(COC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)nn2)ccc1F ZINC001436079917 1065166388 /nfs/dbraw/zinc/16/63/88/1065166388.db2.gz ZQDVFLZFRYIVFT-UHFFFAOYSA-N 0 0 456.930 4.701 20 0 JJADRN O=C(C[C@H]1CCC2(CCOCC2)CO1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001436079685 1065166412 /nfs/dbraw/zinc/16/64/12/1065166412.db2.gz SAYOPXGNUMKPEA-MRXNPFEDSA-N 0 0 452.338 4.880 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2C[C@H]2CC=CCC2)CCOC1 ZINC001360325322 1065166895 /nfs/dbraw/zinc/16/68/95/1065166895.db2.gz CCIFIPMHKGJMLF-KKSFZXQISA-N 0 0 485.576 4.787 20 0 JJADRN CC(C)O[C@@]1(c2nnc(N(C)CC3CC(F)C3)n2CCc2ccccc2C(F)(F)F)CCOC1 ZINC001360325462 1065166966 /nfs/dbraw/zinc/16/69/66/1065166966.db2.gz GBRIXNWKIZQAPA-WFHLNLCJSA-N 0 0 484.538 4.765 20 0 JJADRN CN(C(=O)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)C1)c1ccccc1 ZINC001436080570 1065167024 /nfs/dbraw/zinc/16/70/24/1065167024.db2.gz BMKJYEPPIFMKNA-ZDUSSCGKSA-N 0 0 455.274 4.593 20 0 JJADRN CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CC=CCC3)n2C[C@H](C)Oc2ccc(F)cc2)CCOC1 ZINC001360325546 1065167457 /nfs/dbraw/zinc/16/74/57/1065167457.db2.gz IAAHLFZXTSSLBA-ISJBWFOZSA-N 0 0 472.605 4.718 20 0 JJADRN Cc1cc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)C(C)C)c2)ccc1Br ZINC001436081095 1065167674 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CC(C)OC1CCN(c2nnc(-c3ccccn3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360363929 1065220495 /nfs/dbraw/zinc/22/04/95/1065220495.db2.gz GOHXLBQDXJEZAH-UHFFFAOYSA-N 0 0 454.644 4.731 20 0 JJADRN C[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001436158483 1065220493 /nfs/dbraw/zinc/22/04/93/1065220493.db2.gz HQPOMJJNIKFFML-CYBMUJFWSA-N 0 0 450.486 4.553 20 0 JJADRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C ZINC001436157919 1065220519 /nfs/dbraw/zinc/22/05/19/1065220519.db2.gz AVUNKIUHEAPOKT-INIZCTEOSA-N 0 0 459.951 4.630 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)c2ccccc2)CC1 ZINC001360363990 1065220540 /nfs/dbraw/zinc/22/05/40/1065220540.db2.gz ISHJFRKLSOHIIE-UHFFFAOYSA-N 0 0 469.033 4.914 20 0 JJADRN CC(C)OC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360363937 1065220546 /nfs/dbraw/zinc/22/05/46/1065220546.db2.gz HDSSEEHNXSSDNA-UHFFFAOYSA-N 0 0 475.609 4.781 20 0 JJADRN CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 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CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCCc2cccc(Br)c2)CC[C@@H]1C1CC1 ZINC001360366055 1065224328 /nfs/dbraw/zinc/22/43/28/1065224328.db2.gz JKNVVLFNQZGYIS-RTBURBONSA-N 0 0 451.405 4.676 20 0 JJADRN CCCc1c(C(=O)Oc2ccc(C(=O)OC)c(OC)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001436166035 1065224916 /nfs/dbraw/zinc/22/49/16/1065224916.db2.gz DJPLZWCMFYRTRS-UHFFFAOYSA-N 0 0 451.523 4.532 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC001436165455 1065224939 /nfs/dbraw/zinc/22/49/39/1065224939.db2.gz CQGZHZAGANPVRI-SPYBWZPUSA-N 0 0 451.995 4.698 20 0 JJADRN CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001360366710 1065224965 /nfs/dbraw/zinc/22/49/65/1065224965.db2.gz GOPAXKJRAKLOFK-FQEVSTJZSA-N 0 0 453.656 4.849 20 0 JJADRN CC(C)c1c(C(=O)NCc2ccnc(OC3CCOCC3)c2)cnn1-c1ccc(Cl)cc1 ZINC001360366559 1065225007 /nfs/dbraw/zinc/22/50/07/1065225007.db2.gz WYSDJQKSFAGJCB-UHFFFAOYSA-N 0 0 454.958 4.532 20 0 JJADRN 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CCOC(=O)N1CCC[C@@H](C(=O)O[C@H](c2ccc(Br)c(C)c2)C(F)(F)F)C1 ZINC001436169765 1065227499 /nfs/dbraw/zinc/22/74/99/1065227499.db2.gz OSWVOFXCLLSUGX-UKRRQHHQSA-N 0 0 452.267 4.773 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)CCc1cccc(F)c1Br ZINC001436171583 1065227972 /nfs/dbraw/zinc/22/79/72/1065227972.db2.gz WIOVENROFCBSBM-BIENJYKASA-N 0 0 457.384 4.671 20 0 JJADRN CC(C)[C@H](C(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2)[C@H](C)NC(=O)OC(C)(C)C ZINC001436172695 1065228529 /nfs/dbraw/zinc/22/85/29/1065228529.db2.gz NIVNAKYFKYLLOW-KXBFYZLASA-N 0 0 456.612 4.898 20 0 JJADRN COc1ccc(Cl)cc1CCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001360369146 1065228921 /nfs/dbraw/zinc/22/89/21/1065228921.db2.gz CYKLQUPCKZODBT-UHFFFAOYSA-N 0 0 456.930 4.769 20 0 JJADRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC001436173842 1065229038 /nfs/dbraw/zinc/22/90/38/1065229038.db2.gz IJKJYPFQUYQOGE-JKSUJKDBSA-N 0 0 459.575 4.709 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC001436174015 1065229175 /nfs/dbraw/zinc/22/91/75/1065229175.db2.gz CXUKHJWRHIYAMT-HNNXBMFYSA-N 0 0 453.327 4.771 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOC(C)(C)C)CCO1 ZINC001360370437 1065229502 /nfs/dbraw/zinc/22/95/02/1065229502.db2.gz LATMFNZFDQUZIH-JOCHJYFZSA-N 0 0 458.647 4.688 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001360370266 1065229544 /nfs/dbraw/zinc/22/95/44/1065229544.db2.gz IBJBCAQWUMHFJP-LJQANCHMSA-N 0 0 487.645 4.711 20 0 JJADRN CC(C)OC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C(C)C)CCO1 ZINC001360370602 1065229857 /nfs/dbraw/zinc/22/98/57/1065229857.db2.gz OKDKROOSEJUZQZ-OAQYLSRUSA-N 0 0 451.615 4.806 20 0 JJADRN O=C(CCc1cccc(Br)c1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001436174363 1065229880 /nfs/dbraw/zinc/22/98/80/1065229880.db2.gz QCXSSQWKNOLEEV-FQEVSTJZSA-N 0 0 456.302 4.919 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001360370976 1065230462 /nfs/dbraw/zinc/23/04/62/1065230462.db2.gz VRMNOTJIFRPACN-DMUMMCEESA-N 0 0 481.012 4.571 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)cs3)C2)n1Cc1ccc(C)c(OC)c1 ZINC001545895896 1065230821 /nfs/dbraw/zinc/23/08/21/1065230821.db2.gz HNLZOCICQBBMKO-FQEVSTJZSA-N 0 0 496.681 4.711 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)CCCS2)CCO1 ZINC001360371067 1065230972 /nfs/dbraw/zinc/23/09/72/1065230972.db2.gz XUVDEUIGVCHHTR-HTAPYJJXSA-N 0 0 495.487 4.624 20 0 JJADRN Cc1ccc(CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)c2ccc(F)cc2)o1 ZINC001360374147 1065232751 /nfs/dbraw/zinc/23/27/51/1065232751.db2.gz PAMLTLGRMIVOCX-HXUWFJFHSA-N 0 0 458.283 4.805 20 0 JJADRN CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCC2(C)C)CCO1 ZINC001360374451 1065232817 /nfs/dbraw/zinc/23/28/17/1065232817.db2.gz AFTBNLIXTVMUOF-CIAFKFPVSA-N 0 0 462.679 4.653 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001436181223 1065233232 /nfs/dbraw/zinc/23/32/32/1065233232.db2.gz GXLKCWNLCGEHST-MRXNPFEDSA-N 0 0 457.384 4.817 20 0 JJADRN COc1cccc2c1[C@@H](C(=O)N[C@@H]1CCCN(c3c(C)cc(Br)cc3C)C1)CC2 ZINC001436181524 1065233269 /nfs/dbraw/zinc/23/32/69/1065233269.db2.gz HULLSMZXTLHGAB-UXHICEINSA-N 0 0 457.412 4.890 20 0 JJADRN CC(C)OCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001360376348 1065234326 /nfs/dbraw/zinc/23/43/26/1065234326.db2.gz AXSVEWXGOFIGGB-IBGZPJMESA-N 0 0 452.477 4.664 20 0 JJADRN CC(C)OCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001360376373 1065234496 /nfs/dbraw/zinc/23/44/96/1065234496.db2.gz BRDPANBKFCXXMC-UHFFFAOYSA-N 0 0 469.033 4.827 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001436182702 1065234491 /nfs/dbraw/zinc/23/44/91/1065234491.db2.gz QGXJHSOPYZJEPI-QFIPXVFZSA-N 0 0 451.567 4.848 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)cc(I)c2)cc1 ZINC001436183362 1065235068 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PUKKCNXYOMYMLX-LJQANCHMSA-N 0 0 477.675 4.581 20 0 JJADRN CC(C)OCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360382761 1065244655 /nfs/dbraw/zinc/24/46/55/1065244655.db2.gz ATKKYKCOASQHRS-NJDAHSKKSA-N 0 0 493.693 4.505 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001360382584 1065244671 /nfs/dbraw/zinc/24/46/71/1065244671.db2.gz VEYXOVQMGSMCTQ-FQEVSTJZSA-N 0 0 477.675 4.629 20 0 JJADRN CC(C)OCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360382585 1065244697 /nfs/dbraw/zinc/24/46/97/1065244697.db2.gz VEYXOVQMGSMCTQ-HXUWFJFHSA-N 0 0 477.675 4.629 20 0 JJADRN Cc1cc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c(Cl)cc1F ZINC001436197890 1065245235 /nfs/dbraw/zinc/24/52/35/1065245235.db2.gz OWFAUERQBYFIBO-UHFFFAOYSA-N 0 0 453.695 4.565 20 0 JJADRN CSc1cccc(F)c1CNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001436198862 1065246106 /nfs/dbraw/zinc/24/61/06/1065246106.db2.gz FRBMMYIXRSNDEW-LBPRGKRZSA-N 0 0 451.614 4.813 20 0 JJADRN 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AEWLDTXOOWUCDS-UHFFFAOYSA-N 0 0 458.366 4.667 20 0 JJADRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC001436204039 1065249658 /nfs/dbraw/zinc/24/96/58/1065249658.db2.gz FMGOHBOYYLNUIQ-FOIQADDNSA-N 0 0 456.493 4.799 20 0 JJADRN CC(C)OCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001360385899 1065249636 /nfs/dbraw/zinc/24/96/36/1065249636.db2.gz MBMZVAGIKKYOMZ-UHFFFAOYSA-N 0 0 493.475 4.702 20 0 JJADRN CCOc1cc(Br)c(CC(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1OCC ZINC001436204665 1065250014 /nfs/dbraw/zinc/25/00/14/1065250014.db2.gz PSUBCIMLJKPZLI-UHFFFAOYSA-N 0 0 458.356 4.922 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)CC)cc3)s2)cc1 ZINC001436204431 1065250045 /nfs/dbraw/zinc/25/00/45/1065250045.db2.gz MLBRNTWJUHJCTP-HNNXBMFYSA-N 0 0 458.605 4.802 20 0 JJADRN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001436205410 1065250560 /nfs/dbraw/zinc/25/05/60/1065250560.db2.gz RUNQLBTYMWBFGO-OAQYLSRUSA-N 0 0 450.913 4.995 20 0 JJADRN O=C(NCC1(c2ccc(Br)s2)CCC1)c1cnc(OCc2ccccc2)cn1 ZINC001436205479 1065250726 /nfs/dbraw/zinc/25/07/26/1065250726.db2.gz XTMNRTGRVWQYCY-UHFFFAOYSA-N 0 0 458.381 4.731 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCC1 ZINC001436209062 1065252031 /nfs/dbraw/zinc/25/20/31/1065252031.db2.gz LRAMOZKHMPTVAK-HXUWFJFHSA-N 0 0 458.599 4.539 20 0 JJADRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C1 ZINC001360387827 1065252572 /nfs/dbraw/zinc/25/25/72/1065252572.db2.gz MFENCTODDFRADM-KNQAVFIVSA-N 0 0 450.970 4.570 20 0 JJADRN O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCN(c2cccc(Br)c2)CC1 ZINC001436210106 1065253020 /nfs/dbraw/zinc/25/30/20/1065253020.db2.gz UUIVDZGPBKPRME-UHFFFAOYSA-N 0 0 457.759 4.522 20 0 JJADRN CC(C)OCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360389213 1065253205 /nfs/dbraw/zinc/25/32/05/1065253205.db2.gz GPWDPUVWNAKGQN-UXHICEINSA-N 0 0 466.630 4.533 20 0 JJADRN COc1cccc(C[C@H](C)CC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 ZINC001436210837 1065253632 /nfs/dbraw/zinc/25/36/32/1065253632.db2.gz ZSAMBRPTCQDQFD-CYFREDJKSA-N 0 0 452.595 4.915 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[C@H]1CCOC1 ZINC001545896133 1065254249 /nfs/dbraw/zinc/25/42/49/1065254249.db2.gz MGNUEBLEKREWGN-RBUKOAKNSA-N 0 0 488.702 4.587 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(OC3CCCC3)cc2)c1 ZINC001436211425 1065254285 /nfs/dbraw/zinc/25/42/85/1065254285.db2.gz QSQAYFBKHPOKIS-HSZRJFAPSA-N 0 0 454.567 4.899 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)CC2=O)c1 ZINC001436211558 1065254918 /nfs/dbraw/zinc/25/49/18/1065254918.db2.gz BYWASFLOZGTHPL-GCJKJVERSA-N 0 0 459.011 4.699 20 0 JJADRN O=C(COc1ccc(Br)cc1F)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001436212051 1065254962 /nfs/dbraw/zinc/25/49/62/1065254962.db2.gz CUVGQCJBHSRDAR-IBGZPJMESA-N 0 0 456.739 4.905 20 0 JJADRN CC[C@](NC(=O)c1ccc(COc2ccccc2OC)o1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001436213003 1065255376 /nfs/dbraw/zinc/25/53/76/1065255376.db2.gz HHTUHKVMNLZSFD-XMMPIXPASA-N 0 0 457.910 4.729 20 0 JJADRN COc1ccc(C(=O)NC2(C)CCC(C)CC2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC001360391470 1065255846 /nfs/dbraw/zinc/25/58/46/1065255846.db2.gz RWSGNWVYIQWDIC-UHFFFAOYSA-N 0 0 456.608 4.535 20 0 JJADRN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc3nccnc3c2Br)n1 ZINC001436214123 1065256472 /nfs/dbraw/zinc/25/64/72/1065256472.db2.gz QLZAWERBFVSGBC-UHFFFAOYSA-N 0 0 452.312 4.992 20 0 JJADRN Cc1ccc(N(CCC(=O)OCc2coc(C(C)(C)C)n2)S(=O)(=O)c2ccccc2)cc1 ZINC001436214606 1065256490 /nfs/dbraw/zinc/25/64/90/1065256490.db2.gz PZKISNQIYMYMAS-UHFFFAOYSA-N 0 0 456.564 4.609 20 0 JJADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001436215525 1065257135 /nfs/dbraw/zinc/25/71/35/1065257135.db2.gz FXBHHZVEDFPYRX-HNNXBMFYSA-N 0 0 453.461 4.881 20 0 JJADRN COc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)s2)cc1OC ZINC001436215302 1065257202 /nfs/dbraw/zinc/25/72/02/1065257202.db2.gz BSCSSHAIRMXQTE-UHFFFAOYSA-N 0 0 458.511 4.777 20 0 JJADRN CC(C)OCCCn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001360393941 1065257573 /nfs/dbraw/zinc/25/75/73/1065257573.db2.gz DGZUVLGLKUROPX-LJQANCHMSA-N 0 0 465.436 4.731 20 0 JJADRN CC(C)OCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001360393778 1065257627 /nfs/dbraw/zinc/25/76/27/1065257627.db2.gz YSHMBEVITCFGDN-GOSISDBHSA-N 0 0 468.552 4.807 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)CCC2=O)cc1C ZINC001436215846 1065257642 /nfs/dbraw/zinc/25/76/42/1065257642.db2.gz SJFYNMIIULWHIC-XUZZJYLKSA-N 0 0 454.998 4.984 20 0 JJADRN COCC1(CNC(=O)c2ccc(-c3cccs3)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001436215781 1065257666 /nfs/dbraw/zinc/25/76/66/1065257666.db2.gz AJGZHNWJCYVZDY-UHFFFAOYSA-N 0 0 450.626 4.870 20 0 JJADRN CC(C)OCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001360393997 1065258107 /nfs/dbraw/zinc/25/81/07/1065258107.db2.gz FPKRGBIPWPLHJB-FNZWTVRRSA-N 0 0 493.693 4.807 20 0 JJADRN CC(C)OCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001360393980 1065258157 /nfs/dbraw/zinc/25/81/57/1065258157.db2.gz FEOREHCIRSSZNZ-KKSFZXQISA-N 0 0 483.440 4.983 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(OC2CCCC2)c1 ZINC001360395413 1065259551 /nfs/dbraw/zinc/25/95/51/1065259551.db2.gz BXUOWBIXVKLOLY-INIZCTEOSA-N 0 0 459.384 4.788 20 0 JJADRN CC(C)(C)c1cccc(OCCNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1 ZINC001360395388 1065259574 /nfs/dbraw/zinc/25/95/74/1065259574.db2.gz BJDQHZVJXMSKLD-UHFFFAOYSA-N 0 0 451.588 4.767 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)N(C)CCc2nc(-c3ccccc3)no2)n1 ZINC001436218739 1065260068 /nfs/dbraw/zinc/26/00/68/1065260068.db2.gz XYAHEUQKSZKNTA-UHFFFAOYSA-N 0 0 457.534 4.544 20 0 JJADRN COc1c(NC(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)cc(Cl)cc1C(=O)N(C)C ZINC001436219088 1065260285 /nfs/dbraw/zinc/26/02/85/1065260285.db2.gz ZDDSLCIZRWDJPB-XFXZXTDPSA-N 0 0 456.848 4.991 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001360396113 1065260688 /nfs/dbraw/zinc/26/06/88/1065260688.db2.gz ZGKVYUZLHOFDJP-GXTWGEPZSA-N 0 0 458.183 4.918 20 0 JJADRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)COc1ccccc1OCC(F)(F)F ZINC001436219872 1065260766 /nfs/dbraw/zinc/26/07/66/1065260766.db2.gz XDKIBGLXSIGOEB-UHFFFAOYSA-N 0 0 451.363 4.606 20 0 JJADRN CC(C)OCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001360397298 1065261665 /nfs/dbraw/zinc/26/16/65/1065261665.db2.gz IZTZEIVMXVQHKM-LJQANCHMSA-N 0 0 454.571 4.546 20 0 JJADRN Cc1ccc(-c2nc(C)c(C(=O)OCc3cn(-c4ccccc4Br)nn3)s2)o1 ZINC001436221266 1065261791 /nfs/dbraw/zinc/26/17/91/1065261791.db2.gz HBQNZDCOZKOQOX-UHFFFAOYSA-N 0 0 459.325 4.720 20 0 JJADRN CC(C)OCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCCCC2)CC1 ZINC001360397121 1065261862 /nfs/dbraw/zinc/26/18/62/1065261862.db2.gz WCAWHMJTQMPLDV-UHFFFAOYSA-N 0 0 461.695 4.595 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001436221494 1065261833 /nfs/dbraw/zinc/26/18/33/1065261833.db2.gz DOCFKBAFEKUKHH-KBXCAEBGSA-N 0 0 453.461 4.538 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001360397686 1065262233 /nfs/dbraw/zinc/26/22/33/1065262233.db2.gz SXKHZSWCNPVUOF-KRWDZBQOSA-N 0 0 495.418 4.911 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c(F)cc1C ZINC001436221764 1065262280 /nfs/dbraw/zinc/26/22/80/1065262280.db2.gz HREYZIBUWGYAOR-UHFFFAOYSA-N 0 0 452.404 4.709 20 0 JJADRN CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001360397664 1065262289 /nfs/dbraw/zinc/26/22/89/1065262289.db2.gz SICWZJOHAIZBCV-UHFFFAOYSA-N 0 0 467.355 4.973 20 0 JJADRN CC(C)OCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001360397767 1065262723 /nfs/dbraw/zinc/26/27/23/1065262723.db2.gz WPHRZEJSXWIVCB-UHFFFAOYSA-N 0 0 489.064 4.624 20 0 JJADRN CC(C)OCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001360398575 1065263285 /nfs/dbraw/zinc/26/32/85/1065263285.db2.gz FJPVENNGLVJLOA-RBUKOAKNSA-N 0 0 477.447 4.776 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ccc4c(c3)NC(=O)C4(C)C)c2F)C1 ZINC001436222775 1065263366 /nfs/dbraw/zinc/26/33/66/1065263366.db2.gz NPIZULHVIISKBI-UHFFFAOYSA-N 0 0 453.514 4.601 20 0 JJADRN O=C(OCc1cn(-c2ccccc2Br)nn1)c1ccc(OC(F)(F)Cl)cc1 ZINC001436222672 1065263409 /nfs/dbraw/zinc/26/34/09/1065263409.db2.gz VGIMQRWOACFFGK-UHFFFAOYSA-N 0 0 458.646 4.555 20 0 JJADRN CC(C)OCCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001360398785 1065263873 /nfs/dbraw/zinc/26/38/73/1065263873.db2.gz LWCFOLZHMWICPM-HNNXBMFYSA-N 0 0 466.533 4.624 20 0 JJADRN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC001436223848 1065264081 /nfs/dbraw/zinc/26/40/81/1065264081.db2.gz NGVXSZGXOINLKA-QUCCMNQESA-N 0 0 452.979 4.576 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccn1)c1cccn1-c1cccc(I)c1 ZINC001436223769 1065264143 /nfs/dbraw/zinc/26/41/43/1065264143.db2.gz VYDGFSOESKTCIT-UHFFFAOYSA-N 0 0 457.193 4.748 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001360399248 1065264338 /nfs/dbraw/zinc/26/43/38/1065264338.db2.gz FLYHUPGCLKXKRZ-WMLDXEAASA-N 0 0 451.539 4.902 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001360399246 1065264385 /nfs/dbraw/zinc/26/43/85/1065264385.db2.gz FLYHUPGCLKXKRZ-PBHICJAKSA-N 0 0 451.539 4.902 20 0 JJADRN COC(=O)c1cn(-c2cccc(NC(=O)c3cc(Cl)ccc3SC3CCCC3)c2)nn1 ZINC001436224983 1065264466 /nfs/dbraw/zinc/26/44/66/1065264466.db2.gz KIPSNKCIJYMKDQ-UHFFFAOYSA-N 0 0 456.955 4.994 20 0 JJADRN C[C@]12CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]1C2(Cl)Cl ZINC001436224334 1065264516 /nfs/dbraw/zinc/26/45/16/1065264516.db2.gz WGKJRIBLKKHGHZ-RKVPGOIHSA-N 0 0 450.193 4.640 20 0 JJADRN Cc1c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)nnn1CCOc1ccc(F)cc1 ZINC001436225009 1065264997 /nfs/dbraw/zinc/26/49/97/1065264997.db2.gz KUQNNZMFUFFMKP-UHFFFAOYSA-N 0 0 451.889 4.772 20 0 JJADRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nnn1CCOc1ccc(F)cc1 ZINC001436225793 1065265124 /nfs/dbraw/zinc/26/51/24/1065265124.db2.gz ASZVZSHIZDDHTQ-ZDUSSCGKSA-N 0 0 453.301 4.517 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC001360401693 1065265530 /nfs/dbraw/zinc/26/55/30/1065265530.db2.gz CXSPXIUBQORLPA-SFHVURJKSA-N 0 0 452.427 4.540 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3nccn3Cc3ccccc3Cl)c(=O)oc2c1 ZINC001436226600 1065265697 /nfs/dbraw/zinc/26/56/97/1065265697.db2.gz IXVQNJQMSYFJBE-UHFFFAOYSA-N 0 0 450.926 4.790 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc3c2OCC3)c1 ZINC001436227596 1065266156 /nfs/dbraw/zinc/26/61/56/1065266156.db2.gz DUKTWKYTTKIYGP-UHFFFAOYSA-N 0 0 450.560 4.869 20 0 JJADRN COCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001436227654 1065266238 /nfs/dbraw/zinc/26/62/38/1065266238.db2.gz FKQRWIDMGJBWKN-YWZLYKJASA-N 0 0 453.341 4.688 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001360403302 1065267059 /nfs/dbraw/zinc/26/70/59/1065267059.db2.gz SDBWIFUJIDIGDS-KSEOMHKRSA-N 0 0 475.678 4.833 20 0 JJADRN CC(C)OCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001360403660 1065267114 /nfs/dbraw/zinc/26/71/14/1065267114.db2.gz IQOXHHFCFAKXCE-IBGZPJMESA-N 0 0 454.537 4.888 20 0 JJADRN CC(C)OCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001360403300 1065267272 /nfs/dbraw/zinc/26/72/72/1065267272.db2.gz SDBWIFUJIDIGDS-ILWGZMRPSA-N 0 0 475.678 4.833 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001436229015 1065267507 /nfs/dbraw/zinc/26/75/07/1065267507.db2.gz KVPJGEBMCLMNOG-RDPSFJRHSA-N 0 0 453.542 4.690 20 0 JJADRN COCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001436230156 1065268105 /nfs/dbraw/zinc/26/81/05/1065268105.db2.gz RGHHQLZQWAFJFZ-LIRRHRJNSA-N 0 0 455.769 4.894 20 0 JJADRN CN1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)c2ccc(Br)cc21 ZINC001436229587 1065268118 /nfs/dbraw/zinc/26/81/18/1065268118.db2.gz KGSPFRUTHULJKC-UHFFFAOYSA-N 0 0 453.789 4.501 20 0 JJADRN CC(C)OCCn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360406227 1065268850 /nfs/dbraw/zinc/26/88/50/1065268850.db2.gz KZYOTHGVHMBOCR-UHFFFAOYSA-N 0 0 480.453 4.646 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001436231132 1065269189 /nfs/dbraw/zinc/26/91/89/1065269189.db2.gz QYIPDDFEBYFWRZ-IERDGZPVSA-N 0 0 456.464 4.918 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001360406915 1065269195 /nfs/dbraw/zinc/26/91/95/1065269195.db2.gz AGKMKFHOHJIZLP-TYKWCNGQSA-N 0 0 487.620 4.782 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001360406995 1065269399 /nfs/dbraw/zinc/26/93/99/1065269399.db2.gz CNSHJQJOZLHEDD-KZKAQZJJSA-N 0 0 483.657 4.856 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001360406936 1065269452 /nfs/dbraw/zinc/26/94/52/1065269452.db2.gz AXADUFUJBJITAF-DNQXCXABSA-N 0 0 469.674 4.727 20 0 JJADRN CC(C)OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1cccs1 ZINC001360407015 1065269794 /nfs/dbraw/zinc/26/97/94/1065269794.db2.gz DFKYEOPSKPDMEX-OTWHNJEPSA-N 0 0 475.659 4.877 20 0 JJADRN CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001360407187 1065269819 /nfs/dbraw/zinc/26/98/19/1065269819.db2.gz JJFUEMJEXQGGIU-MLDBQTBOSA-N 0 0 456.631 4.588 20 0 JJADRN CC[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCCC1 ZINC001436234836 1065270445 /nfs/dbraw/zinc/27/04/45/1065270445.db2.gz NJNPRRVAONUJDS-FYYLOGMGSA-N 0 0 452.599 4.635 20 0 JJADRN CC[C@H](NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CCCC1 ZINC001436234840 1065271047 /nfs/dbraw/zinc/27/10/47/1065271047.db2.gz NJNPRRVAONUJDS-GMAHTHKFSA-N 0 0 452.599 4.635 20 0 JJADRN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC001360408219 1065271376 /nfs/dbraw/zinc/27/13/76/1065271376.db2.gz HVLLITVDVSPAIA-LJQANCHMSA-N 0 0 459.999 4.869 20 0 JJADRN 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COc1cc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc(OC)c1OC ZINC001436465112 1065324928 /nfs/dbraw/zinc/32/49/28/1065324928.db2.gz NPRPSCHGKARMLO-UHFFFAOYSA-N 0 0 454.748 4.590 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360440826 1065324942 /nfs/dbraw/zinc/32/49/42/1065324942.db2.gz XZKKUANTMSOSCN-YDDRRGFYSA-N 0 0 469.655 4.539 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCCC2)n1Cc1ccncc1Cl ZINC001360440784 1065324961 /nfs/dbraw/zinc/32/49/61/1065324961.db2.gz XEHTZIMBRRFJHB-ZYSBOAIWSA-N 0 0 458.031 4.967 20 0 JJADRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F ZINC001360441222 1065325577 /nfs/dbraw/zinc/32/55/77/1065325577.db2.gz AKRNLCPYFXKQCZ-RCUPCANXSA-N 0 0 479.572 4.787 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCC(C)(F)F ZINC001360441440 1065325608 /nfs/dbraw/zinc/32/56/08/1065325608.db2.gz CQZUAQPQDZIVNF-JGVYIQDASA-N 0 0 452.596 4.911 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC001360441491 1065325639 /nfs/dbraw/zinc/32/56/39/1065325639.db2.gz NDCJFVAARYORBB-UHFFFAOYSA-N 0 0 457.514 4.720 20 0 JJADRN CC(C)(CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc(Br)cc1Cl ZINC001436467367 1065325760 /nfs/dbraw/zinc/32/57/60/1065325760.db2.gz UCQNKPZXFUDMTM-LBPRGKRZSA-N 0 0 455.746 4.771 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)OC)ccc21 ZINC001436467154 1065325796 /nfs/dbraw/zinc/32/57/96/1065325796.db2.gz LUEYGHVUHFGIEX-QHAWAJNXSA-N 0 0 455.507 4.657 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360441848 1065326382 /nfs/dbraw/zinc/32/63/82/1065326382.db2.gz GZWFQEASTIXQRV-SKXNTUGCSA-N 0 0 495.693 4.530 20 0 JJADRN O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001436468104 1065326308 /nfs/dbraw/zinc/32/63/08/1065326308.db2.gz QWDXTIWYLXQVRS-HNNXBMFYSA-N 0 0 454.773 4.881 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)[C@H]1CCN(c2ccccc2F)C1 ZINC001436468364 1065326389 /nfs/dbraw/zinc/32/63/89/1065326389.db2.gz ZZKNNVOREMOAEH-AWEZNQCLSA-N 0 0 451.767 4.916 20 0 JJADRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001436470935 1065327104 /nfs/dbraw/zinc/32/71/04/1065327104.db2.gz GRLOUZQOIIDIFH-UHFFFAOYSA-N 0 0 459.193 4.914 20 0 JJADRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001360442401 1065327616 /nfs/dbraw/zinc/32/76/16/1065327616.db2.gz NKDSUIBEIDPHPQ-NVXHTHCOSA-N 0 0 499.725 4.737 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC001436472165 1065327822 /nfs/dbraw/zinc/32/78/22/1065327822.db2.gz JNSDEIMWSQBWEC-UUOWRZLLSA-N 0 0 459.521 4.560 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CCc1ccsc1 ZINC001360442851 1065328144 /nfs/dbraw/zinc/32/81/44/1065328144.db2.gz UKPOJKYNMIGFIH-CVCYQNGTSA-N 0 0 465.648 4.503 20 0 JJADRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1 ZINC001360442522 1065328201 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OPKRMIJNNXQZAB-CQSZACIVSA-N 0 0 485.361 4.532 20 0 JJADRN COc1ccc(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(OC(F)F)c1 ZINC001360444698 1065332108 /nfs/dbraw/zinc/33/21/08/1065332108.db2.gz GEMAAXHSYCJXKI-GOSISDBHSA-N 0 0 451.466 4.996 20 0 JJADRN Cn1cc(C(=O)NCC(C)(C)C(C)(C)C)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC001436488321 1065332623 /nfs/dbraw/zinc/33/26/23/1065332623.db2.gz QMHBCOAUBKEKEX-FQEVSTJZSA-N 0 0 454.615 4.738 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001436488958 1065333130 /nfs/dbraw/zinc/33/31/30/1065333130.db2.gz IUWKFBAJMXPPAT-KBPBESRZSA-N 0 0 451.489 4.776 20 0 JJADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1sc(-c2cccs2)nc1C ZINC001436490524 1065333796 /nfs/dbraw/zinc/33/37/96/1065333796.db2.gz ZNMUOSSWNVFKPC-UHFFFAOYSA-N 0 0 452.561 4.859 20 0 JJADRN COc1ccc(C(=O)N(Cc2ccncc2)c2ccc(Br)cc2)c(OC)c1OC ZINC001436490526 1065333813 /nfs/dbraw/zinc/33/38/13/1065333813.db2.gz ZODONJCEYACUOS-UHFFFAOYSA-N 0 0 457.324 4.717 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1C[C@@H]1CCSC1(C)C ZINC001360445516 1065333832 /nfs/dbraw/zinc/33/38/32/1065333832.db2.gz DMQBNPNVXVZYEC-ICSRJNTNSA-N 0 0 457.688 4.763 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CC(C)(C)C1 ZINC001360445804 1065334397 /nfs/dbraw/zinc/33/43/97/1065334397.db2.gz JRFAVRMZECAANN-MRXNPFEDSA-N 0 0 453.612 4.609 20 0 JJADRN COc1ccc(C(=O)C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cc1Cl ZINC001436492552 1065334584 /nfs/dbraw/zinc/33/45/84/1065334584.db2.gz PREPUROJGJVJHS-AWEZNQCLSA-N 0 0 452.610 4.536 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001360445950 1065334942 /nfs/dbraw/zinc/33/49/42/1065334942.db2.gz LUNUQYLPMZVSIV-HIFRSBDPSA-N 0 0 498.937 4.529 20 0 JJADRN O=C(O[C@H](c1cccc(Br)n1)C(F)(F)F)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001436493597 1065335063 /nfs/dbraw/zinc/33/50/63/1065335063.db2.gz URSLUDGIAQXCMZ-NVGCLXPQSA-N 0 0 458.230 4.566 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2cc3c(cn2)CCCC3)C1 ZINC001436495517 1065335091 /nfs/dbraw/zinc/33/50/91/1065335091.db2.gz NBJGJCCXVPKOKS-GOSISDBHSA-N 0 0 456.384 4.522 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)OCc2cc(Br)cnc2Cl)cc1 ZINC001436494843 1065335109 /nfs/dbraw/zinc/33/51/09/1065335109.db2.gz JNCRDACWFYAOMR-UHFFFAOYSA-N 0 0 453.764 4.658 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC=CCO1 ZINC001360446020 1065334984 /nfs/dbraw/zinc/33/49/84/1065334984.db2.gz MUFBYOICQUJNDZ-CVDCTZTESA-N 0 0 497.640 4.641 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCC[C@H]1C ZINC001360446319 1065335382 /nfs/dbraw/zinc/33/53/82/1065335382.db2.gz SWUXGUIXDMXHAL-WCPQPUJESA-N 0 0 499.656 4.503 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001360446293 1065335395 /nfs/dbraw/zinc/33/53/95/1065335395.db2.gz RZUVCDHMFGRPOK-IBGZPJMESA-N 0 0 492.624 4.566 20 0 JJADRN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)OCc1cc(Br)cnc1Cl ZINC001436496541 1065335535 /nfs/dbraw/zinc/33/55/35/1065335535.db2.gz AIKLLDZTILIWDI-VIFPVBQESA-N 0 0 453.642 4.888 20 0 JJADRN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccs1 ZINC001360446263 1065335587 /nfs/dbraw/zinc/33/55/87/1065335587.db2.gz RIYKAUZXYZSXLG-DYESRHJHSA-N 0 0 499.637 4.599 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)OCc1cc(Br)cnc1Cl ZINC001436496540 1065335662 /nfs/dbraw/zinc/33/56/62/1065335662.db2.gz AIKLLDZTILIWDI-SECBINFHSA-N 0 0 453.642 4.888 20 0 JJADRN Cn1ncc(Br)c1CC(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 ZINC001360447416 1065336779 /nfs/dbraw/zinc/33/67/79/1065336779.db2.gz VBHOGUDTKXBHPP-UHFFFAOYSA-N 0 0 454.303 4.795 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)c(C)c1 ZINC001436505154 1065336785 /nfs/dbraw/zinc/33/67/85/1065336785.db2.gz CUYYIGNAEHNVMJ-GOSISDBHSA-N 0 0 457.412 4.821 20 0 JJADRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccsc2)n1CC(F)(F)Br ZINC001360446780 1065336956 /nfs/dbraw/zinc/33/69/56/1065336956.db2.gz ZGBKWXDAKJIVFT-LBPRGKRZSA-N 0 0 457.344 4.821 20 0 JJADRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3ccc(-c4csnn4)cc3)ccc21 ZINC001436505224 1065336989 /nfs/dbraw/zinc/33/69/89/1065336989.db2.gz GECKXCRAEYFUGL-UHFFFAOYSA-N 0 0 450.564 4.823 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001360447691 1065337410 /nfs/dbraw/zinc/33/74/10/1065337410.db2.gz CTTWCPQZLQRZIJ-SJBKTWHCSA-N 0 0 489.611 4.653 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC1CCC(F)(F)CC1 ZINC001360447525 1065337494 /nfs/dbraw/zinc/33/74/94/1065337494.db2.gz BKNWXMXCCKTHJB-UGKGYDQZSA-N 0 0 489.611 4.653 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1CCOC1 ZINC001360447807 1065337553 /nfs/dbraw/zinc/33/75/53/1065337553.db2.gz DSLOZWKBLCAHAA-DLBZAZTESA-N 0 0 458.404 4.670 20 0 JJADRN COc1cc(CCC(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)ccc1OCC(F)(F)F ZINC001436509430 1065338407 /nfs/dbraw/zinc/33/84/07/1065338407.db2.gz JBGJCBKOSLOCQM-SFHVURJKSA-N 0 0 457.411 4.527 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccsc2)n1CC1(O)CCCCCC1 ZINC001360448350 1065338758 /nfs/dbraw/zinc/33/87/58/1065338758.db2.gz OUYFLOPHCYJSIZ-OAQYLSRUSA-N 0 0 495.693 4.672 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCCC1=O ZINC001360448409 1065338786 /nfs/dbraw/zinc/33/87/86/1065338786.db2.gz QJTFNEKOJXBORU-KRWDZBQOSA-N 0 0 485.430 4.636 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCn3c(cc4ccccc43)C2)(C(F)(F)F)CC1 ZINC001436510398 1065338844 /nfs/dbraw/zinc/33/88/44/1065338844.db2.gz MLOHWQFVPWZSQH-UHFFFAOYSA-N 0 0 451.489 4.563 20 0 JJADRN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC001436512948 1065338940 /nfs/dbraw/zinc/33/89/40/1065338940.db2.gz RFXBEPXKAXHUOE-XPIZARPCSA-N 0 0 456.380 4.865 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CCC1=CCCCC1 ZINC001360448515 1065339402 /nfs/dbraw/zinc/33/94/02/1065339402.db2.gz SABWUYVZLHWHPA-JOCHJYFZSA-N 0 0 472.637 4.810 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)c1 ZINC001360448414 1065339533 /nfs/dbraw/zinc/33/95/33/1065339533.db2.gz QKDXATZYCXHNDF-MRXNPFEDSA-N 0 0 468.403 4.599 20 0 JJADRN CCc1c(Br)cc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)cc1Br ZINC001436514450 1065339587 /nfs/dbraw/zinc/33/95/87/1065339587.db2.gz RPUGULIXGVNIDW-KRWDZBQOSA-N 0 0 457.166 4.521 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@]1(C)CCCS1 ZINC001360448720 1065339864 /nfs/dbraw/zinc/33/98/64/1065339864.db2.gz WLSXDNSLNYZQFU-UQBPGWFLSA-N 0 0 457.688 4.808 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC=CCO1 ZINC001360448961 1065340156 /nfs/dbraw/zinc/34/01/56/1065340156.db2.gz YXCJWLPPSQUHKL-QFBILLFUSA-N 0 0 456.388 4.589 20 0 JJADRN CC(=O)CCc1ccc(OCC(=O)N2CCCC[C@H]2Cc2ccccc2Br)cc1 ZINC001436517871 1065340077 /nfs/dbraw/zinc/34/00/77/1065340077.db2.gz QPAQFBGSJXCJHN-NRFANRHFSA-N 0 0 458.396 4.973 20 0 JJADRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC001436519065 1065340236 /nfs/dbraw/zinc/34/02/36/1065340236.db2.gz AFHMUOXVFLZVKD-GBXCKJPGSA-N 0 0 455.046 4.954 20 0 JJADRN O=C(Nc1nc(CC(F)(F)F)cs1)C1(c2ccc(I)cc2)CC1 ZINC001436516555 1065340270 /nfs/dbraw/zinc/34/02/70/1065340270.db2.gz OKRGCSJBXGCMJZ-UHFFFAOYSA-N 0 0 452.239 4.523 20 0 JJADRN Cc1ccc2[nH]c(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)ccc3Cl)nc2c1 ZINC001436519969 1065340673 /nfs/dbraw/zinc/34/06/73/1065340673.db2.gz HSZLZDHSDWEFNH-UHFFFAOYSA-N 0 0 458.902 4.717 20 0 JJADRN CCc1ccc(N2C[C@H](C(=O)N[C@@H]3c4cccc(Br)c4CC3(C)C)CC2=O)cc1 ZINC001436519908 1065340895 /nfs/dbraw/zinc/34/08/95/1065340895.db2.gz GPSZPWLHDSNMQB-OPAMFIHVSA-N 0 0 455.396 4.804 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc(Cc2ccncc2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001360450268 1065341157 /nfs/dbraw/zinc/34/11/57/1065341157.db2.gz JOVQFXKPMDPQBK-GOSISDBHSA-N 0 0 482.510 4.846 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC(F)(F)C1 ZINC001360450156 1065341333 /nfs/dbraw/zinc/34/13/33/1065341333.db2.gz HWPQOFVPMBKKMQ-DLBZAZTESA-N 0 0 459.566 4.902 20 0 JJADRN CN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)[C@H]1CC(C)(C)OC1=O ZINC001436521730 1065341488 /nfs/dbraw/zinc/34/14/88/1065341488.db2.gz DPMRTULAKGKLHW-FQEVSTJZSA-N 0 0 453.336 4.830 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncnn1C(C)(C)C ZINC001360450495 1065341714 /nfs/dbraw/zinc/34/17/14/1065341714.db2.gz NIXVHIHFYFTKGP-SYYKKAFVSA-N 0 0 465.646 4.789 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCCCO2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360450652 1065342275 /nfs/dbraw/zinc/34/22/75/1065342275.db2.gz PXDQQYMJLZFLTA-SJLPKXTDSA-N 0 0 475.519 4.638 20 0 JJADRN C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)c1 ZINC001360450594 1065342488 /nfs/dbraw/zinc/34/24/88/1065342488.db2.gz OWADRLSDIDTIBT-UEVCKROQSA-N 0 0 450.631 4.760 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2CCCCO2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001360450651 1065342533 /nfs/dbraw/zinc/34/25/33/1065342533.db2.gz PXDQQYMJLZFLTA-FUHWJXTLSA-N 0 0 475.519 4.638 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 ZINC001360450611 1065342554 /nfs/dbraw/zinc/34/25/54/1065342554.db2.gz PBMKFPORRFLPHH-UGKGYDQZSA-N 0 0 479.629 4.524 20 0 JJADRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)CCc1cccc(Br)c1 ZINC001436524384 1065343044 /nfs/dbraw/zinc/34/30/44/1065343044.db2.gz OKRNZSLQFGZGOM-LBPRGKRZSA-N 0 0 459.153 4.819 20 0 JJADRN CC(C)(C)c1cnc(CCC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)o1 ZINC001360451161 1065343711 /nfs/dbraw/zinc/34/37/11/1065343711.db2.gz HKHWURWXVSOEMK-UHFFFAOYSA-N 0 0 450.255 4.642 20 0 JJADRN COc1ccc2c(CC(=O)Nc3cc(Br)cnc3OCC(F)(F)F)coc2c1 ZINC001360451508 1065344305 /nfs/dbraw/zinc/34/43/05/1065344305.db2.gz NXOKQQDHYARDBN-UHFFFAOYSA-N 0 0 459.218 4.721 20 0 JJADRN C[C@@H](c1ccccc1)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360452038 1065344814 /nfs/dbraw/zinc/34/48/14/1065344814.db2.gz FRBYGWSUMKVLNV-YSIASYRMSA-N 0 0 451.571 4.888 20 0 JJADRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cn3)nc21 ZINC001436527945 1065345225 /nfs/dbraw/zinc/34/52/25/1065345225.db2.gz KVULKOIBLZAXDA-QGZVFWFLSA-N 0 0 453.520 4.574 20 0 JJADRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cn3)nc21 ZINC001436527944 1065345378 /nfs/dbraw/zinc/34/53/78/1065345378.db2.gz KVULKOIBLZAXDA-KRWDZBQOSA-N 0 0 453.520 4.574 20 0 JJADRN Cc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)c2cnn(C(C)C)c2n1 ZINC001436529029 1065346017 /nfs/dbraw/zinc/34/60/17/1065346017.db2.gz PGBKTLVAXJNCSP-UHFFFAOYSA-N 0 0 453.344 4.736 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1)C1CC1 ZINC001436529754 1065346484 /nfs/dbraw/zinc/34/64/84/1065346484.db2.gz WKXWZYZYECDZFC-UHFFFAOYSA-N 0 0 452.146 4.979 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360452560 1065346518 /nfs/dbraw/zinc/34/65/18/1065346518.db2.gz NYAWFHFGRGLNNY-TZIWHRDSSA-N 0 0 494.615 5.000 20 0 JJADRN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001436530589 1065346527 /nfs/dbraw/zinc/34/65/27/1065346527.db2.gz DWIUYWZJQVKXPB-UHFFFAOYSA-N 0 0 455.386 4.992 20 0 JJADRN O=C(NCCc1cnc(SC2CCCC2)nc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001436529867 1065346578 /nfs/dbraw/zinc/34/65/78/1065346578.db2.gz YDAOUBZUNNBJTF-QZTJIDSGSA-N 0 0 451.514 4.872 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)c1Cl ZINC001436529734 1065346639 /nfs/dbraw/zinc/34/66/39/1065346639.db2.gz WDQPFQOHFIGUQO-UHFFFAOYSA-N 0 0 455.363 4.555 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001360452559 1065346701 /nfs/dbraw/zinc/34/67/01/1065346701.db2.gz NYAWFHFGRGLNNY-PZJWPPBQSA-N 0 0 494.615 5.000 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCC(F)(F)F ZINC001360452662 1065346711 /nfs/dbraw/zinc/34/67/11/1065346711.db2.gz PWTWWWXWVSIMMW-FUHWJXTLSA-N 0 0 493.505 4.893 20 0 JJADRN O=C(C[C@H](n1cccn1)C(F)(F)F)Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F ZINC001360453734 1065348493 /nfs/dbraw/zinc/34/84/93/1065348493.db2.gz SHSKHHOBDSLKPC-KRWDZBQOSA-N 0 0 451.355 4.739 20 0 JJADRN COC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1Cl ZINC001436537212 1065349833 /nfs/dbraw/zinc/34/98/33/1065349833.db2.gz PWSJWQXCGJFZDV-IYBDPMFKSA-N 0 0 458.942 4.547 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCOC1 ZINC001360453963 1065350093 /nfs/dbraw/zinc/35/00/93/1065350093.db2.gz BMTCDJHDOUPHCZ-WTGUMLROSA-N 0 0 487.620 4.812 20 0 JJADRN O=C(CCNC(=O)Cc1ccc(OCc2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC001436538218 1065350585 /nfs/dbraw/zinc/35/05/85/1065350585.db2.gz HHXSVTQDBJTOJL-UHFFFAOYSA-N 0 0 458.345 4.655 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001360454198 1065350597 /nfs/dbraw/zinc/35/05/97/1065350597.db2.gz FJUXSACOFMIHEB-HNNXBMFYSA-N 0 0 495.443 4.711 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCOC(C)(C)C1 ZINC001360454375 1065351479 /nfs/dbraw/zinc/35/14/79/1065351479.db2.gz IQQBEIGGYYNQNB-QGZVFWFLSA-N 0 0 488.430 4.609 20 0 JJADRN Cc1ncn(-c2ccc(NC(=O)c3cc(Cl)ccc3I)cc2)c1C ZINC001436539151 1065351314 /nfs/dbraw/zinc/35/13/14/1065351314.db2.gz CIGIRSPCHVZALN-UHFFFAOYSA-N 0 0 451.695 4.999 20 0 JJADRN COC(=O)c1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1Cl ZINC001436539689 1065351372 /nfs/dbraw/zinc/35/13/72/1065351372.db2.gz FTLLATPWRBWSFZ-IEBWSBKVSA-N 0 0 472.969 4.791 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)c1ccc(N2CCCNC2=O)cc1 ZINC001436540280 1065351388 /nfs/dbraw/zinc/35/13/88/1065351388.db2.gz RWZTVRXDCQLLCA-MRXNPFEDSA-N 0 0 450.926 4.938 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1CCN(C)CC(F)(F)F ZINC001360454320 1065351524 /nfs/dbraw/zinc/35/15/24/1065351524.db2.gz HTJSTKSBRZUBEP-HNNXBMFYSA-N 0 0 455.525 4.761 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CSCCS1 ZINC001360454396 1065352116 /nfs/dbraw/zinc/35/21/16/1065352116.db2.gz JEVIEOBVRZUDAZ-DZGCQCFKSA-N 0 0 482.473 4.685 20 0 JJADRN COc1cc(OC)cc(-c2cccc(NC(=O)CCSc3ccc(OC)c(OC)c3)n2)c1 ZINC001436541191 1065352040 /nfs/dbraw/zinc/35/20/40/1065352040.db2.gz SIBTWUZQFAVLTQ-UHFFFAOYSA-N 0 0 454.548 4.904 20 0 JJADRN COc1ccccc1[C@H]1[C@@H](C(=O)NCC2(OC)CCCC2)CCC(=O)N1c1ccc(C)cc1 ZINC001436540547 1065352050 /nfs/dbraw/zinc/35/20/50/1065352050.db2.gz ORONBQUJUDNNRT-DHLKQENFSA-N 0 0 450.579 4.563 20 0 JJADRN COC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c1Cl ZINC001436540926 1065352097 /nfs/dbraw/zinc/35/20/97/1065352097.db2.gz KONZMKUQBZFHLO-CLCXKQKWSA-N 0 0 450.963 4.881 20 0 JJADRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3c(F)ccc(Br)c3C)c2)ccn1 ZINC001436542025 1065352491 /nfs/dbraw/zinc/35/24/91/1065352491.db2.gz OEQBYLNPQOZFAS-UHFFFAOYSA-N 0 0 458.287 4.696 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360454684 1065352907 /nfs/dbraw/zinc/35/29/07/1065352907.db2.gz PHUBNRAKIGWMBD-IBGZPJMESA-N 0 0 482.604 4.857 20 0 JJADRN Cc1ncn(-c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)cc2)c1C ZINC001436543283 1065353405 /nfs/dbraw/zinc/35/34/05/1065353405.db2.gz RKRQRLKBFQRPRO-UHFFFAOYSA-N 0 0 456.369 4.810 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360454738 1065353488 /nfs/dbraw/zinc/35/34/88/1065353488.db2.gz QEAYWNGCEMQADC-AFMDSPMNSA-N 0 0 451.590 4.932 20 0 JJADRN O=C(CSCC(=O)N1CCc2c(F)ccc(Br)c2C1)c1ccc(Cl)cc1 ZINC001436546035 1065353785 /nfs/dbraw/zinc/35/37/85/1065353785.db2.gz KHJAOQYQCWEHQK-UHFFFAOYSA-N 0 0 456.764 4.742 20 0 JJADRN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCOC1 ZINC001360455137 1065354677 /nfs/dbraw/zinc/35/46/77/1065354677.db2.gz ZXOCKWRJPNJGBB-YSIASYRMSA-N 0 0 485.604 4.732 20 0 JJADRN C[C@H](c1ccco1)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1NC(=O)CC1(C)C ZINC001360455131 1065354783 /nfs/dbraw/zinc/35/47/83/1065354783.db2.gz ZVWSXBAWHFPCOO-FZKQIMNGSA-N 0 0 490.377 4.552 20 0 JJADRN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)Br ZINC001360455045 1065354842 /nfs/dbraw/zinc/35/48/42/1065354842.db2.gz YADOWVHJZPICQG-CQSZACIVSA-N 0 0 493.331 4.841 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC1CCCCC1 ZINC001360455116 1065354864 /nfs/dbraw/zinc/35/48/64/1065354864.db2.gz ZLBYDFJHQCPYBQ-HNNXBMFYSA-N 0 0 489.418 4.665 20 0 JJADRN CCN1C(=O)C[C@H](C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)[C@@H]1c1cccc(C)c1 ZINC001436548281 1065354857 /nfs/dbraw/zinc/35/48/57/1065354857.db2.gz HEOKFTVJNKTKEY-NVQXNPDNSA-N 0 0 459.546 4.622 20 0 JJADRN COC(=O)c1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001436548249 1065354925 /nfs/dbraw/zinc/35/49/25/1065354925.db2.gz HZVBBHNPITXNTM-OAHLLOKOSA-N 0 0 452.457 4.803 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001436548735 1065354967 /nfs/dbraw/zinc/35/49/67/1065354967.db2.gz CHLVHDMKXHBYMU-UHFFFAOYSA-N 0 0 458.942 4.503 20 0 JJADRN Cc1cc(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1OC(C)C ZINC001360455491 1065355304 /nfs/dbraw/zinc/35/53/04/1065355304.db2.gz MUXWIURDIYJLQE-UHFFFAOYSA-N 0 0 455.599 4.748 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC001360455669 1065355345 /nfs/dbraw/zinc/35/53/45/1065355345.db2.gz VSVXDSKNQNDSFC-UHFFFAOYSA-N 0 0 450.329 4.524 20 0 JJADRN Cc1nc2ncnn2c(C)c1CCC(=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC001360455775 1065355383 /nfs/dbraw/zinc/35/53/83/1065355383.db2.gz ZSVOJCWLFWMVBQ-UHFFFAOYSA-N 0 0 456.388 4.802 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)ccc1F ZINC001436549564 1065355609 /nfs/dbraw/zinc/35/56/09/1065355609.db2.gz GFLIEIKZAOUDSC-MRXNPFEDSA-N 0 0 452.979 4.843 20 0 JJADRN COC(=O)/C=C/c1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)o1 ZINC001436549710 1065355674 /nfs/dbraw/zinc/35/56/74/1065355674.db2.gz NRCVISDWCFGPBC-TYZQSYOASA-N 0 0 450.466 4.657 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccccc2)n1CCCn1cc(Br)cn1 ZINC001360456506 1065355866 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C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360458562 1065358414 /nfs/dbraw/zinc/35/84/14/1065358414.db2.gz LESDKYOUKKSRPM-ZIAGYGMSSA-N 0 0 455.506 4.681 20 0 JJADRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC001436553867 1065358600 /nfs/dbraw/zinc/35/86/00/1065358600.db2.gz MYFUXFQLWBRYJH-UHFFFAOYSA-N 0 0 451.885 4.679 20 0 JJADRN Cc1onc(-c2cccnc2)c1C(=O)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001436554833 1065359231 /nfs/dbraw/zinc/35/92/31/1065359231.db2.gz WZRRFLYQSDZUAF-UHFFFAOYSA-N 0 0 450.857 4.910 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)C1 ZINC001360458961 1065359668 /nfs/dbraw/zinc/35/96/68/1065359668.db2.gz CWEHJKZKJUWXSP-RTBURBONSA-N 0 0 458.599 4.512 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)N[C@@H](Cc3ccccc3C(F)(F)F)C(C)(C)C)cnc12 ZINC001436556734 1065360780 /nfs/dbraw/zinc/36/07/80/1065360780.db2.gz MBNXABCPCSZHHS-FQEVSTJZSA-N 0 0 459.512 4.887 20 0 JJADRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001436556815 1065360814 /nfs/dbraw/zinc/36/08/14/1065360814.db2.gz NCGBQYXKTWFGPN-UHFFFAOYSA-N 0 0 457.330 4.923 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(F)(F)F ZINC001360459454 1065361053 /nfs/dbraw/zinc/36/10/53/1065361053.db2.gz WMSATBKJDRVHDH-JKSUJKDBSA-N 0 0 487.523 4.719 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C)c1OC ZINC001436557692 1065361164 /nfs/dbraw/zinc/36/11/64/1065361164.db2.gz DJOBHUSWNFDUQR-LJQANCHMSA-N 0 0 456.546 4.810 20 0 JJADRN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(F)(F)F ZINC001360459452 1065361137 /nfs/dbraw/zinc/36/11/37/1065361137.db2.gz WMSATBKJDRVHDH-HOTGVXAUSA-N 0 0 487.523 4.719 20 0 JJADRN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1)C(F)(F)F ZINC001436560074 1065362410 /nfs/dbraw/zinc/36/24/10/1065362410.db2.gz YIEJDWSBTOXBDT-LBPRGKRZSA-N 0 0 453.511 4.556 20 0 JJADRN 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CCSc1cccc(F)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC001436561340 1065363402 /nfs/dbraw/zinc/36/34/02/1065363402.db2.gz JRZQKZSRTVUXTJ-HOTGVXAUSA-N 0 0 450.601 4.857 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1ccccc1F ZINC001360460667 1065363292 /nfs/dbraw/zinc/36/32/92/1065363292.db2.gz FEUHGOMKJUMUEC-HNNXBMFYSA-N 0 0 484.988 4.822 20 0 JJADRN COc1cnc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c(Br)c1 ZINC001436562159 1065363901 /nfs/dbraw/zinc/36/39/01/1065363901.db2.gz PGSMUUMZJCMKML-MRXNPFEDSA-N 0 0 456.381 4.655 20 0 JJADRN CCn1c(SCC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)nnc1-c1cccs1 ZINC001436562269 1065364013 /nfs/dbraw/zinc/36/40/13/1065364013.db2.gz CJPJRROCRXITPD-UHFFFAOYSA-N 0 0 459.000 4.905 20 0 JJADRN Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 ZINC001436563473 1065364690 /nfs/dbraw/zinc/36/46/90/1065364690.db2.gz HOUBUAOPKAETNF-UHFFFAOYSA-N 0 0 452.363 4.680 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCS(=O)(=O)C1 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/nfs/dbraw/zinc/36/64/62/1065366462.db2.gz SJTUUXKXXIIAOX-ZHALLVOQSA-N 0 0 491.658 4.593 20 0 JJADRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCc1cnn(C)n1 ZINC001360461290 1065366483 /nfs/dbraw/zinc/36/64/83/1065366483.db2.gz RRWAAYMKYLNBRM-OAHLLOKOSA-N 0 0 473.553 4.567 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCc1cnn(C)n1 ZINC001360461289 1065366596 /nfs/dbraw/zinc/36/65/96/1065366596.db2.gz RRWAAYMKYLNBRM-HNNXBMFYSA-N 0 0 473.553 4.567 20 0 JJADRN Cc1ccc(N(C)C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)nc1 ZINC001436566216 1065367125 /nfs/dbraw/zinc/36/71/25/1065367125.db2.gz XWBJHYVHNHCJMO-UHFFFAOYSA-N 0 0 453.955 4.698 20 0 JJADRN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001436566352 1065367201 /nfs/dbraw/zinc/36/72/01/1065367201.db2.gz SBNBXCYQJKWPGM-CVDCTZTESA-N 0 0 456.652 4.914 20 0 JJADRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360461419 1065367316 /nfs/dbraw/zinc/36/73/16/1065367316.db2.gz 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1065393611 /nfs/dbraw/zinc/39/36/11/1065393611.db2.gz WIRBFJSLMCSAFF-VXKWHMMOSA-N 0 0 454.368 4.535 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)OCc1cn(CCc2ccccc2)nn1 ZINC001436603420 1065395217 /nfs/dbraw/zinc/39/52/17/1065395217.db2.gz GTGKJNVZAUKXTC-UHFFFAOYSA-N 0 0 452.967 4.507 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)C[C@H]1CCCO1 ZINC001360479446 1065397495 /nfs/dbraw/zinc/39/74/95/1065397495.db2.gz ZRZPRCIRQGZZIS-OFNKIYASSA-N 0 0 456.558 4.642 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC001360479692 1065397538 /nfs/dbraw/zinc/39/75/38/1065397538.db2.gz AZZXJAJSPRKAIU-GFJKYASSSA-N 0 0 458.624 4.808 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC001360479712 1065397667 /nfs/dbraw/zinc/39/76/67/1065397667.db2.gz BJNUFTUQLISUJU-WKFDDFSHSA-N 0 0 454.636 4.672 20 0 JJADRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(F)cc2I)c1 ZINC001360480241 1065398146 /nfs/dbraw/zinc/39/81/46/1065398146.db2.gz SIHNHAMZQWUROJ-DEOSSOPVSA-N 0 0 459.324 4.730 20 0 JJADRN COCC1(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001360479909 1065398200 /nfs/dbraw/zinc/39/82/00/1065398200.db2.gz ILFJUSHRIWGTKM-UHFFFAOYSA-N 0 0 456.986 4.537 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)C2)c1 ZINC001360480033 1065398208 /nfs/dbraw/zinc/39/82/08/1065398208.db2.gz LZPPPJBXCYGHGE-MNAQKMTRSA-N 0 0 454.636 4.842 20 0 JJADRN COc1ccc(-c2nc(CC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cs2)cc1OC ZINC001360479983 1065398256 /nfs/dbraw/zinc/39/82/56/1065398256.db2.gz KFQFPPDDOYHMFB-DEOSSOPVSA-N 0 0 452.576 4.654 20 0 JJADRN COc1ccccc1[C@@H]1[C@@H](C(=O)NCCc2ccc(C)cn2)CCC(=O)N1c1ccc(C)cc1 ZINC001436613757 1065398377 /nfs/dbraw/zinc/39/83/77/1065398377.db2.gz RUAUJSFQJCWPAG-RPLLCQBOSA-N 0 0 457.574 4.550 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 ZINC001360481259 1065400829 /nfs/dbraw/zinc/40/08/29/1065400829.db2.gz ITUFIGCPBPYXEE-FQEVSTJZSA-N 0 0 455.562 4.799 20 0 JJADRN CCOc1c(Br)cc(C(=O)NCCc2cccc(Br)c2)cc1OC ZINC001436625298 1065403124 /nfs/dbraw/zinc/40/31/24/1065403124.db2.gz XOBTZHBEJBDBKG-UHFFFAOYSA-N 0 0 457.162 4.591 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001436627462 1065404831 /nfs/dbraw/zinc/40/48/31/1065404831.db2.gz OPBVUJJRAAHQJY-QFBILLFUSA-N 0 0 467.463 4.763 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCSC(F)(F)F ZINC001360483718 1065404768 /nfs/dbraw/zinc/40/47/68/1065404768.db2.gz ZWELUYSNVQBHOK-JTQLQIEISA-N 0 0 477.965 4.766 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cc(F)ccc1F ZINC001360484543 1065404883 /nfs/dbraw/zinc/40/48/83/1065404883.db2.gz XHUIBQZQDDUUAP-HSZRJFAPSA-N 0 0 458.530 4.979 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccc(-c3ccccn3)nc2)C1 ZINC001436627832 1065405536 /nfs/dbraw/zinc/40/55/36/1065405536.db2.gz CQFVJHJRQWVIHP-NZQKXSOJSA-N 0 0 450.583 4.785 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](Cc3ccc(C)cc3)c3ccccn3)no2)c1 ZINC001360485803 1065405558 /nfs/dbraw/zinc/40/55/58/1065405558.db2.gz OTXLMIQDOATVOV-RUZDIDTESA-N 0 0 455.514 4.873 20 0 JJADRN C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc2ccccc2s1 ZINC001360485665 1065405564 /nfs/dbraw/zinc/40/55/64/1065405564.db2.gz LQRLXDUGDNGSKB-LBPRGKRZSA-N 0 0 490.452 4.732 20 0 JJADRN Cn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cn1 ZINC001436629965 1065407183 /nfs/dbraw/zinc/40/71/83/1065407183.db2.gz WKGZBAUGYXGUOT-JTHBVZDNSA-N 0 0 452.599 4.729 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 ZINC001360488202 1065407329 /nfs/dbraw/zinc/40/73/29/1065407329.db2.gz AQWLSUGXHUBAPI-UHFFFAOYSA-N 0 0 459.521 4.589 20 0 JJADRN CCCN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001360489266 1065408165 /nfs/dbraw/zinc/40/81/65/1065408165.db2.gz SISGVGAJDDFSIR-HZPDHXFCSA-N 0 0 451.295 4.625 20 0 JJADRN Cc1cc(Br)c(COC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1Cl ZINC001436633108 1065408840 /nfs/dbraw/zinc/40/88/40/1065408840.db2.gz HSEMSOYFQLEWCX-NSHDSACASA-N 0 0 458.686 4.785 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)[C@]3(C)COc4ccccc4O3)CC2)c1 ZINC001436634568 1065409792 /nfs/dbraw/zinc/40/97/92/1065409792.db2.gz FJCNQWYMCZKRMF-SANMLTNESA-N 0 0 452.551 4.970 20 0 JJADRN Cc1ccc(Sc2ncccc2C(=O)NCc2cc(F)ccc2N2CCOCC2)c(C)c1 ZINC001360493972 1065410323 /nfs/dbraw/zinc/41/03/23/1065410323.db2.gz MFQILZUICIQJEG-UHFFFAOYSA-N 0 0 451.567 4.755 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(F)cc1F ZINC001360494049 1065411288 /nfs/dbraw/zinc/41/12/88/1065411288.db2.gz OVKZLLDWIXASJR-LIRRHRJNSA-N 0 0 452.448 4.686 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCc2cccc(Br)c2)c1 ZINC001436638454 1065411595 /nfs/dbraw/zinc/41/15/95/1065411595.db2.gz QXQISPONVUJDOO-UHFFFAOYSA-N 0 0 451.792 4.737 20 0 JJADRN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)Oc1c(I)cc(Cl)c2cccnc21 ZINC001436640689 1065412312 /nfs/dbraw/zinc/41/23/12/1065412312.db2.gz MVVBMDTZZBKQQW-HWWQOWPSSA-N 0 0 472.754 4.811 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360497029 1065412877 /nfs/dbraw/zinc/41/28/77/1065412877.db2.gz DJNONPSMQKNDMQ-SFHVURJKSA-N 0 0 463.573 4.960 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001360496731 1065413004 /nfs/dbraw/zinc/41/30/04/1065413004.db2.gz BBWSEEVZEULYKH-GUDVDZBRSA-N 0 0 485.629 4.589 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001360497028 1065413059 /nfs/dbraw/zinc/41/30/59/1065413059.db2.gz DJNONPSMQKNDMQ-GOSISDBHSA-N 0 0 463.573 4.960 20 0 JJADRN COc1cc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc(OC)c1Cl ZINC001436641693 1065414032 /nfs/dbraw/zinc/41/40/32/1065414032.db2.gz VAICZYPHMXMQCN-XMMPIXPASA-N 0 0 454.954 4.832 20 0 JJADRN C[C@@H]1CN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001360497063 1065414162 /nfs/dbraw/zinc/41/41/62/1065414162.db2.gz VMLORWNOQYWMMJ-IYBDPMFKSA-N 0 0 456.505 4.863 20 0 JJADRN CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360497262 1065414184 /nfs/dbraw/zinc/41/41/84/1065414184.db2.gz GOBBBSAFXZTGFQ-SFHVURJKSA-N 0 0 472.058 4.843 20 0 JJADRN Cc1c(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)nnn1-c1ccccc1Br ZINC001360497394 1065414635 /nfs/dbraw/zinc/41/46/35/1065414635.db2.gz YULXBMXLUYXTHL-MGPUTAFESA-N 0 0 457.397 4.657 20 0 JJADRN CC(C)NC(=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@@H](C)Cc1cccs1 ZINC001360497369 1065414718 /nfs/dbraw/zinc/41/47/18/1065414718.db2.gz HHZWPYQYIHMOJH-INIZCTEOSA-N 0 0 458.031 4.573 20 0 JJADRN CCOc1ccccc1N1C[C@@H](C(=O)OCc2cc(Cl)cc(Br)c2)CC1=O ZINC001436646628 1065415849 /nfs/dbraw/zinc/41/58/49/1065415849.db2.gz DUZBXDBQPZSLCA-AWEZNQCLSA-N 0 0 452.732 4.598 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccccc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001360497981 1065416329 /nfs/dbraw/zinc/41/63/29/1065416329.db2.gz NAOXJHYYLBLWDF-OAQYLSRUSA-N 0 0 467.683 4.680 20 0 JJADRN CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1C[C@H](C)Cc1cccs1 ZINC001360498099 1065416404 /nfs/dbraw/zinc/41/64/04/1065416404.db2.gz OQQUSSHFLMBCDI-QRVBRYPASA-N 0 0 459.660 4.645 20 0 JJADRN O=C(OCc1cc(Cl)cc(Br)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001436647756 1065416611 /nfs/dbraw/zinc/41/66/11/1065416611.db2.gz QWHHMMJKOQVMGQ-UHFFFAOYSA-N 0 0 457.651 4.753 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360498479 1065417387 /nfs/dbraw/zinc/41/73/87/1065417387.db2.gz SNNXVEALYCCMLN-HXUWFJFHSA-N 0 0 465.667 4.969 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001360499035 1065418089 /nfs/dbraw/zinc/41/80/89/1065418089.db2.gz YYQWELGMVKUNPF-ROUUACIJSA-N 0 0 468.602 4.867 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001360498798 1065418289 /nfs/dbraw/zinc/41/82/89/1065418289.db2.gz WGEOWYWCVNIZJE-MAUKXSAKSA-N 0 0 497.061 4.691 20 0 JJADRN CS(C)(=O)=Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001436654595 1065419106 /nfs/dbraw/zinc/41/91/06/1065419106.db2.gz ODQVXWYMDKYRHL-QGFLDLQWSA-N 0 0 459.999 4.732 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(CC(=O)N(CCCCc2ccccc2)c2ccccc2)cc1 ZINC001436656338 1065419887 /nfs/dbraw/zinc/41/98/87/1065419887.db2.gz KSBAFWSIVRPERC-UHFFFAOYSA-N 0 0 450.604 4.536 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CNC(=O)c2cccs2)nnc1N(C)OC1CCCC1 ZINC001360499895 1065420702 /nfs/dbraw/zinc/42/07/02/1065420702.db2.gz JGDDISVCBDKQKC-INIZCTEOSA-N 0 0 459.641 4.520 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2 ZINC001436669038 1065420856 /nfs/dbraw/zinc/42/08/56/1065420856.db2.gz MHAWAMVPLFMFPQ-CQSZACIVSA-N 0 0 453.564 4.537 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360500544 1065422284 /nfs/dbraw/zinc/42/22/84/1065422284.db2.gz NLFYOBGPOHFQCJ-QGZVFWFLSA-N 0 0 470.643 4.707 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1C[C@H]1CCC(F)(F)C1 ZINC001545900413 1065422517 /nfs/dbraw/zinc/42/25/17/1065422517.db2.gz NVBUCKFPFCDGHK-RXVVDRJESA-N 0 0 475.584 4.680 20 0 JJADRN CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Cc2cccs2)C1 ZINC001360500576 1065423209 /nfs/dbraw/zinc/42/32/09/1065423209.db2.gz NVMUEXUYPHGQJW-ZWKOTPCHSA-N 0 0 457.669 4.692 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001360500579 1065423219 /nfs/dbraw/zinc/42/32/19/1065423219.db2.gz NWWOEZWOJXNUAE-IRXDYDNUSA-N 0 0 458.653 4.697 20 0 JJADRN CCCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360500690 1065423241 /nfs/dbraw/zinc/42/32/41/1065423241.db2.gz CHBHWZHOTHWKDR-UIOOFZCWSA-N 0 0 458.537 4.773 20 0 JJADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CC2)n1C[C@@H](C)Cc1cccs1 ZINC001360500577 1065423253 /nfs/dbraw/zinc/42/32/53/1065423253.db2.gz NWWOEZWOJXNUAE-DLBZAZTESA-N 0 0 458.653 4.697 20 0 JJADRN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCC[S@@](=O)Cc1ccccc1 ZINC001360500810 1065424069 /nfs/dbraw/zinc/42/40/69/1065424069.db2.gz DCPRVESPSDIESK-GDLZYMKVSA-N 0 0 451.375 4.646 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 ZINC001545900503 1065424321 /nfs/dbraw/zinc/42/43/21/1065424321.db2.gz POKZYNNFCJXMSP-DXIQSLLYSA-N 0 0 497.684 4.913 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCc1ccc(SC)cc1 ZINC001545900484 1065424342 /nfs/dbraw/zinc/42/43/42/1065424342.db2.gz PBTFIJXVZHMINZ-OAQYLSRUSA-N 0 0 487.714 4.945 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)C2)c1 ZINC001436697813 1065424407 /nfs/dbraw/zinc/42/44/07/1065424407.db2.gz KYSKKPAEQIHZAN-KJXAQDMKSA-N 0 0 457.412 4.999 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360501392 1065425750 /nfs/dbraw/zinc/42/57/50/1065425750.db2.gz SPEIBCYGVARWKE-OPAMFIHVSA-N 0 0 479.572 4.810 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001360501390 1065425921 /nfs/dbraw/zinc/42/59/21/1065425921.db2.gz SPEIBCYGVARWKE-KSFYIVLOSA-N 0 0 479.572 4.810 20 0 JJADRN Cc1ccc(Cl)c2c1CCCN2C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC001436708748 1065425957 /nfs/dbraw/zinc/42/59/57/1065425957.db2.gz NFSVQLHKMBZIIK-UHFFFAOYSA-N 0 0 455.407 4.924 20 0 JJADRN C[C@@H](Cc1cccs1)Cn1c(CC2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360502277 1065427466 /nfs/dbraw/zinc/42/74/66/1065427466.db2.gz ZHELXQFMMRUHST-PKOBYXMFSA-N 0 0 459.660 4.617 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001545900690 1065427506 /nfs/dbraw/zinc/42/75/06/1065427506.db2.gz SNJABMRIQBHEKH-PKTZIBPZSA-N 0 0 484.689 4.815 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(OCCC(C)C)c1 ZINC001436714404 1065427671 /nfs/dbraw/zinc/42/76/71/1065427671.db2.gz LGZQDZFPULQNDW-FCHUYYIVSA-N 0 0 464.528 4.880 20 0 JJADRN Cc1c(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cccc1S(=O)(=O)N(C)C ZINC001436715212 1065428544 /nfs/dbraw/zinc/42/85/44/1065428544.db2.gz RWWJMRBDUXOTNB-UHFFFAOYSA-N 0 0 457.602 4.836 20 0 JJADRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001436714817 1065428651 /nfs/dbraw/zinc/42/86/51/1065428651.db2.gz OMXBBFUAHVWYGA-JTSKRJEESA-N 0 0 453.558 4.673 20 0 JJADRN CCn1c(SCC(=O)Nc2cc(C)c(Br)c(F)c2)nnc1-c1cccs1 ZINC001436716306 1065429356 /nfs/dbraw/zinc/42/93/56/1065429356.db2.gz RGZXGMRXQFRBIC-UHFFFAOYSA-N 0 0 455.378 4.967 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360502918 1065429760 /nfs/dbraw/zinc/42/97/60/1065429760.db2.gz GCUSDYBKBSOOEI-LJQANCHMSA-N 0 0 494.640 4.807 20 0 JJADRN Cc1cccc(CO[C@@H](C)C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)c1 ZINC001360502981 1065429823 /nfs/dbraw/zinc/42/98/23/1065429823.db2.gz BAYTUMBXNUTCSJ-AWEZNQCLSA-N 0 0 459.333 4.888 20 0 JJADRN COc1ccc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)cc1NC(=O)C1CCCCC1 ZINC001360502985 1065430731 /nfs/dbraw/zinc/43/07/31/1065430731.db2.gz BAZFQCMTHDCQCV-DWXRJYCRSA-N 0 0 471.598 4.942 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl ZINC001360503028 1065430858 /nfs/dbraw/zinc/43/08/58/1065430858.db2.gz GVYZWDJADLTNPD-VGSWGCGISA-N 0 0 455.990 4.780 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001436727131 1065431192 /nfs/dbraw/zinc/43/11/92/1065431192.db2.gz OQTGPRYPWABSDJ-LJQANCHMSA-N 0 0 455.551 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCC1=CCCCC1 ZINC001545900843 1065431262 /nfs/dbraw/zinc/43/12/62/1065431262.db2.gz VWHRGZUHSUWEPF-OAQYLSRUSA-N 0 0 484.620 4.669 20 0 JJADRN CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001360503436 1065431529 /nfs/dbraw/zinc/43/15/29/1065431529.db2.gz LETGIERYESFKEL-XDHUDOTRSA-N 0 0 458.006 4.564 20 0 JJADRN CCOCCN(C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001436733073 1065432079 /nfs/dbraw/zinc/43/20/79/1065432079.db2.gz MBPSATCGYZROAA-WIOPSUGQSA-N 0 0 456.970 4.758 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001360503567 1065432452 /nfs/dbraw/zinc/43/24/52/1065432452.db2.gz LQGVACQOJPKHCE-CTNGQTDRSA-N 0 0 494.640 4.836 20 0 JJADRN O=C(CCc1nc(-c2ccccc2)no1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001360503691 1065433331 /nfs/dbraw/zinc/43/33/31/1065433331.db2.gz OFGBUDAIXSAMMX-UHFFFAOYSA-N 0 0 456.325 4.589 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 ZINC001360504000 1065434293 /nfs/dbraw/zinc/43/42/93/1065434293.db2.gz QATRIUYSAFIWLA-OAHLLOKOSA-N 0 0 458.404 4.619 20 0 JJADRN O=C(CCOc1ccccc1)N1CCC(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001436746535 1065434604 /nfs/dbraw/zinc/43/46/04/1065434604.db2.gz RYXNIDITANWREE-GGAORHGYSA-N 0 0 454.998 4.800 20 0 JJADRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360504342 1065434994 /nfs/dbraw/zinc/43/49/94/1065434994.db2.gz TURHTWAWIGGVGP-XODKDNOYSA-N 0 0 489.686 4.809 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C ZINC001360504245 1065435067 /nfs/dbraw/zinc/43/50/67/1065435067.db2.gz RZCOHTQPJAYJKU-HMXCVIKNSA-N 0 0 458.672 4.867 20 0 JJADRN CSc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)ccc1Cl ZINC001436751251 1065435738 /nfs/dbraw/zinc/43/57/38/1065435738.db2.gz CXDNKCHBWLXZJO-HUUCEWRRSA-N 0 0 453.029 4.981 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccn2C)n1CCCN(C)C(=O)OC(C)(C)C ZINC001360504536 1065435944 /nfs/dbraw/zinc/43/59/44/1065435944.db2.gz WUPOWBSDUSSHPY-HXUWFJFHSA-N 0 0 496.656 4.704 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001436755805 1065436455 /nfs/dbraw/zinc/43/64/55/1065436455.db2.gz SUQGOWQNARFWNE-FTJLQQALSA-N 0 0 452.982 4.663 20 0 JJADRN CSc1cc(NC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)ccc1Cl ZINC001436755417 1065436464 /nfs/dbraw/zinc/43/64/64/1065436464.db2.gz PHVWXVKCKQDFMZ-UHFFFAOYSA-N 0 0 450.992 4.702 20 0 JJADRN O=C(/C=C\c1cccc(-c2ccc(Cl)cc2)c1)N(CCN1CCOCC1)Cc1ccco1 ZINC001436756853 1065437530 /nfs/dbraw/zinc/43/75/30/1065437530.db2.gz VASRPZMQGHDXCB-WDZFZDKYSA-N 0 0 450.966 4.974 20 0 JJADRN CS(=O)(=O)c1ccccc1CNC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001436781120 1065440022 /nfs/dbraw/zinc/44/00/22/1065440022.db2.gz ZCRAAZFYYIJQFN-QNGOZBTKSA-N 0 0 457.498 4.549 20 0 JJADRN O=C(NCc1nccc(C(F)(F)F)n1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001436779698 1065440117 /nfs/dbraw/zinc/44/01/17/1065440117.db2.gz UQAFIMKRXNOUQE-UHFFFAOYSA-N 0 0 452.230 4.980 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001436782769 1065440868 /nfs/dbraw/zinc/44/08/68/1065440868.db2.gz JDVLXLXCDXOMEP-INIZCTEOSA-N 0 0 457.755 4.925 20 0 JJADRN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C ZINC001360505687 1065442356 /nfs/dbraw/zinc/44/23/56/1065442356.db2.gz SKGVIQXFGDFRLR-RIUZBUNTSA-N 0 0 484.685 4.911 20 0 JJADRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCCCc2nc3ccccc3s2)c1 ZINC001436796015 1065442559 /nfs/dbraw/zinc/44/25/59/1065442559.db2.gz QQZCLAQFHRQGSP-UHFFFAOYSA-N 0 0 451.013 4.773 20 0 JJADRN CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccc2cnccc2n1)OCc1ccccc1 ZINC001436796510 1065442604 /nfs/dbraw/zinc/44/26/04/1065442604.db2.gz CNKAKUDDKHOXSH-UHFFFAOYSA-N 0 0 450.539 4.509 20 0 JJADRN C[C@H](CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 ZINC001360506030 1065443068 /nfs/dbraw/zinc/44/30/68/1065443068.db2.gz ZWQQTXQLGJSRSM-NHCUHLMSSA-N 0 0 476.625 4.980 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(N(C)C(=O)c4ccncc4)cc3)o2)cc1 ZINC001360506216 1065443089 /nfs/dbraw/zinc/44/30/89/1065443089.db2.gz DJGYYZKZBUPHFG-UHFFFAOYSA-N 0 0 454.530 4.571 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N3CC(C)(C)C[C@H]3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC001436807478 1065444262 /nfs/dbraw/zinc/44/42/62/1065444262.db2.gz UHCZTZHPUBGJOR-FMNCTDSISA-N 0 0 450.579 4.835 20 0 JJADRN CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1C(F)(F)F ZINC001436806711 1065444398 /nfs/dbraw/zinc/44/43/98/1065444398.db2.gz RDDINSWIAWMSMS-DJJJIMSYSA-N 0 0 457.855 4.722 20 0 JJADRN O=C(Nc1cccc(C(=O)Oc2ccc(Br)c(C(F)(F)F)c2)c1)[C@H]1CCCO1 ZINC001436809710 1065445196 /nfs/dbraw/zinc/44/51/96/1065445196.db2.gz YBXPWDNJLFUVII-MRXNPFEDSA-N 0 0 458.230 4.805 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c2ccco2)cc1 ZINC001436807646 1065445201 /nfs/dbraw/zinc/44/52/01/1065445201.db2.gz CUUJFLJIYCWHNW-QRQCRPRQSA-N 0 0 459.329 4.854 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccncc1 ZINC001436815162 1065445972 /nfs/dbraw/zinc/44/59/72/1065445972.db2.gz FEKGAXSGPBHJSS-IBGZPJMESA-N 0 0 459.424 4.712 20 0 JJADRN COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001360507535 1065446532 /nfs/dbraw/zinc/44/65/32/1065446532.db2.gz SPSVISOIXFLKTN-SJORKVTESA-N 0 0 453.514 4.728 20 0 JJADRN COc1ccc2cc(/C=C/C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)ccc2c1 ZINC001436818810 1065446837 /nfs/dbraw/zinc/44/68/37/1065446837.db2.gz PSHOYEPBLLIMRV-IUYMFKLXSA-N 0 0 452.473 4.824 20 0 JJADRN CNC(=O)c1cncc(/C=C\C(=O)NC2(c3ccc(Br)c(C)c3)CCCCC2)c1 ZINC001436816040 1065446912 /nfs/dbraw/zinc/44/69/12/1065446912.db2.gz SIZFIGXCIQYOBQ-TWGQIWQCSA-N 0 0 456.384 4.501 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H]2COc3cc(C)c(C)cc32)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360507797 1065447107 /nfs/dbraw/zinc/44/71/07/1065447107.db2.gz SPBKQCIFLBFDMC-ZDXQCDESSA-N 0 0 450.579 4.818 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(F)(F)F ZINC001436825941 1065448520 /nfs/dbraw/zinc/44/85/20/1065448520.db2.gz RJZYWCPZPVLWEO-LJQANCHMSA-N 0 0 454.489 4.961 20 0 JJADRN C[C@H](CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001360510089 1065452580 /nfs/dbraw/zinc/45/25/80/1065452580.db2.gz DHMZWBHXXQHHSH-OAQYLSRUSA-N 0 0 476.625 4.515 20 0 JJADRN O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC001436850873 1065453442 /nfs/dbraw/zinc/45/34/42/1065453442.db2.gz DIGOBOLUTSUWFA-UHFFFAOYSA-N 0 0 453.804 4.881 20 0 JJADRN 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ZINC001437234605 1065524309 /nfs/dbraw/zinc/52/43/09/1065524309.db2.gz YXENVLWONTWOBL-UHFFFAOYSA-N 0 0 456.587 4.820 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c(C(N)=O)c1 ZINC001360539840 1065524397 /nfs/dbraw/zinc/52/43/97/1065524397.db2.gz RGAICOCHPGEGFE-UHFFFAOYSA-N 0 0 450.882 4.536 20 0 JJADRN O=C(c1ccccc1CCC(F)(F)F)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001437234246 1065524463 /nfs/dbraw/zinc/52/44/63/1065524463.db2.gz QAKYNHPAWXMAAF-UHFFFAOYSA-N 0 0 450.423 4.731 20 0 JJADRN C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1)c1nccs1 ZINC001360540296 1065524972 /nfs/dbraw/zinc/52/49/72/1065524972.db2.gz GEKRRYWITGZIJD-RHSMWYFYSA-N 0 0 462.417 4.583 20 0 JJADRN C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1)c1nccs1 ZINC001360540297 1065525075 /nfs/dbraw/zinc/52/50/75/1065525075.db2.gz GEKRRYWITGZIJD-WMLDXEAASA-N 0 0 462.417 4.583 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1Cc1cccc(OC)c1OC ZINC001545905705 1065525584 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ZINC001437298599 1065533759 /nfs/dbraw/zinc/53/37/59/1065533759.db2.gz DOIGTJRYRRRRTR-UHFFFAOYSA-N 0 0 453.749 4.691 20 0 JJADRN Cc1ccc(N(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C(C)C)cc1Br ZINC001437297273 1065533807 /nfs/dbraw/zinc/53/38/07/1065533807.db2.gz ADMLJILVHBJWIO-UHFFFAOYSA-N 0 0 453.283 4.517 20 0 JJADRN CCOc1ccc(COC(=O)CCCOc2ccc(I)cc2)c(C)c1 ZINC001437298998 1065533882 /nfs/dbraw/zinc/53/38/82/1065533882.db2.gz SMTXSDHYAIFRKG-UHFFFAOYSA-N 0 0 454.304 4.901 20 0 JJADRN COc1ccc(SCC(=O)N(C)c2nccc(-c3sccc3Br)n2)cc1 ZINC001437297849 1065533899 /nfs/dbraw/zinc/53/38/99/1065533899.db2.gz NMAYMPIEBZWARG-UHFFFAOYSA-N 0 0 450.383 4.731 20 0 JJADRN C[C@H](Cn1c(-c2ccccn2)nnc1N(CCC(F)(F)F)CC1CC1)N(C)C(=O)OC(C)(C)C ZINC001360544600 1065534232 /nfs/dbraw/zinc/53/42/32/1065534232.db2.gz MGZXMUMXDOQHBQ-MRXNPFEDSA-N 0 0 482.551 4.764 20 0 JJADRN CCn1cc(CN(C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)C(C)C)cn1 ZINC001437300771 1065534416 /nfs/dbraw/zinc/53/44/16/1065534416.db2.gz MZWUSTJUDHGVGJ-UHFFFAOYSA-N 0 0 454.615 4.907 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545906139 1065534515 /nfs/dbraw/zinc/53/45/15/1065534515.db2.gz RQBYTXBUYYTOSX-HKUYNNGSSA-N 0 0 485.595 4.887 20 0 JJADRN C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001360544862 1065534802 /nfs/dbraw/zinc/53/48/02/1065534802.db2.gz RKTIWSXYLFLCRJ-UEXGIBASSA-N 0 0 490.048 4.859 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)sc2c1C ZINC001437306408 1065534903 /nfs/dbraw/zinc/53/49/03/1065534903.db2.gz VMZISPLDDGPEED-UHFFFAOYSA-N 0 0 455.602 4.865 20 0 JJADRN C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccco1)N(C)C(=O)OC(C)(C)C ZINC001360544955 1065535488 /nfs/dbraw/zinc/53/54/88/1065535488.db2.gz TWOUDEIJBWFVNH-GOSISDBHSA-N 0 0 476.581 4.978 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001360545162 1065535499 /nfs/dbraw/zinc/53/54/99/1065535499.db2.gz BBOOGTPHDTUFMA-UNMCSNQZSA-N 0 0 478.641 4.751 20 0 JJADRN COCCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001437311712 1065535571 /nfs/dbraw/zinc/53/55/71/1065535571.db2.gz BWLIQWFPQIDUAM-TZRRMPRUSA-N 0 0 456.627 4.869 20 0 JJADRN C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001360545335 1065536094 /nfs/dbraw/zinc/53/60/94/1065536094.db2.gz ZJMWQJNWBKHDQU-ROUUACIJSA-N 0 0 450.587 4.737 20 0 JJADRN O=C(Nc1ccccc1Sc1ncccn1)c1cccc(F)c1I ZINC001437314056 1065536269 /nfs/dbraw/zinc/53/62/69/1065536269.db2.gz JSSJDBKLJHXJAO-UHFFFAOYSA-N 0 0 451.264 4.624 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360545669 1065536611 /nfs/dbraw/zinc/53/66/11/1065536611.db2.gz HZPPQCUOTDRBKN-RBBKRZOGSA-N 0 0 478.641 4.923 20 0 JJADRN C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001360545670 1065536642 /nfs/dbraw/zinc/53/66/42/1065536642.db2.gz HZPPQCUOTDRBKN-UNMCSNQZSA-N 0 0 478.641 4.923 20 0 JJADRN 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1065579428 /nfs/dbraw/zinc/57/94/28/1065579428.db2.gz UYBDXSFFRIWORZ-HEIROHQZSA-N 0 0 459.514 4.619 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001545907803 1065579438 /nfs/dbraw/zinc/57/94/38/1065579438.db2.gz RMHDOQQMEZNFGR-SIKLNZKXSA-N 0 0 481.689 4.686 20 0 JJADRN C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1nccs1 ZINC001360582450 1065579449 /nfs/dbraw/zinc/57/94/49/1065579449.db2.gz OLAUWWHNADUVIT-CTNGQTDRSA-N 0 0 469.655 4.944 20 0 JJADRN CC(=O)NC1(c2noc(CCC(=O)N3CCC[C@H]3c3c(C)cccc3C)n2)CCCCCC1 ZINC001437578293 1065580083 /nfs/dbraw/zinc/58/00/83/1065580083.db2.gz ASKQMCWGBOTVFG-NRFANRHFSA-N 0 0 452.599 4.668 20 0 JJADRN COc1ccc(/C=C\C(=O)N2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC001437577584 1065580110 /nfs/dbraw/zinc/58/01/10/1065580110.db2.gz CIFJPWGLWCEYHX-UMDONVSZSA-N 0 0 452.551 4.590 20 0 JJADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)(C)C)C1)Sc1ccccc1 ZINC001360583386 1065580597 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456.134 4.814 20 0 JJADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001360584243 1065583645 /nfs/dbraw/zinc/58/36/45/1065583645.db2.gz UITFUXORIPKEHB-ROUUACIJSA-N 0 0 485.629 4.749 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC(C)(C)C1)N1CCOCC1 ZINC001360584371 1065584414 /nfs/dbraw/zinc/58/44/14/1065584414.db2.gz WIENNAYEQUACSG-NRFANRHFSA-N 0 0 469.674 4.502 20 0 JJADRN COc1ccc(Br)c2sc(NC(=O)c3cccc(Oc4cnccn4)c3)nc21 ZINC001437614850 1065584831 /nfs/dbraw/zinc/58/48/31/1065584831.db2.gz OFEITJUYIWHPKY-UHFFFAOYSA-N 0 0 457.309 4.902 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)cc1 ZINC001437609408 1065584931 /nfs/dbraw/zinc/58/49/31/1065584931.db2.gz QKTNIZUCHLOWPX-UHFFFAOYSA-N 0 0 450.000 4.895 20 0 JJADRN C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1)N(C)C(=O)OC(C)(C)C ZINC001360584575 1065585075 /nfs/dbraw/zinc/58/50/75/1065585075.db2.gz YGPMAUVYAKWSCD-IRXDYDNUSA-N 0 0 497.562 4.733 20 0 JJADRN 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C[C@@H](Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360588556 1065592447 /nfs/dbraw/zinc/59/24/47/1065592447.db2.gz YTRRENZDOKQAQB-VQTJNVASSA-N 0 0 465.671 4.652 20 0 JJADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001360588572 1065592763 /nfs/dbraw/zinc/59/27/63/1065592763.db2.gz ZBPDVXUCMWCRRZ-RBUKOAKNSA-N 0 0 473.637 4.559 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1F ZINC001360588642 1065592813 /nfs/dbraw/zinc/59/28/13/1065592813.db2.gz ASICHROIQDIYNP-MRXNPFEDSA-N 0 0 454.523 4.736 20 0 JJADRN C/C=C\c1ccc(OCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(OC)c1 ZINC001437697050 1065593090 /nfs/dbraw/zinc/59/30/90/1065593090.db2.gz PUBRUZCZZOYJAG-YPXXTRJASA-N 0 0 456.542 4.621 20 0 JJADRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCCC(C)C ZINC001360588867 1065593299 /nfs/dbraw/zinc/59/32/99/1065593299.db2.gz IWJHJKOJFIHBJF-UHFFFAOYSA-N 0 0 458.624 4.776 20 0 JJADRN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cnc1C(F)(F)F ZINC001437698824 1065593331 /nfs/dbraw/zinc/59/33/31/1065593331.db2.gz WYSNFBNWAWWNLA-ZDUSSCGKSA-N 0 0 457.399 4.501 20 0 JJADRN CC[C@H](c1ccncc1)N(CC)C(=O)CCCOc1ccc(I)cc1 ZINC001360588740 1065593431 /nfs/dbraw/zinc/59/34/31/1065593431.db2.gz DQBQEQORCLXPNG-LJQANCHMSA-N 0 0 452.336 4.845 20 0 JJADRN COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1F ZINC001360588810 1065593446 /nfs/dbraw/zinc/59/34/46/1065593446.db2.gz GLDBXYQGGRRCBV-SFHVURJKSA-N 0 0 454.473 4.652 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2c(Cl)oc3ccccc32)c1 ZINC001437707323 1065593828 /nfs/dbraw/zinc/59/38/28/1065593828.db2.gz TYGGLJXIKGDPBY-IBGZPJMESA-N 0 0 458.942 4.847 20 0 JJADRN CC(C)N(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001360589986 1065594530 /nfs/dbraw/zinc/59/45/30/1065594530.db2.gz BHZAYXKBGWTHLQ-PKOBYXMFSA-N 0 0 463.648 4.862 20 0 JJADRN 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ZINC001360590956 1065597332 /nfs/dbraw/zinc/59/73/32/1065597332.db2.gz TXAFBCFNGMIHDL-ZJOUEHCJSA-N 0 0 487.670 4.759 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001437740058 1065597646 /nfs/dbraw/zinc/59/76/46/1065597646.db2.gz ZMGJBRDSCXLTRE-VQTJNVASSA-N 0 0 451.355 4.969 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc(F)cc1I ZINC001437741899 1065598416 /nfs/dbraw/zinc/59/84/16/1065598416.db2.gz GJNRKOYZKHRFIA-QGZVFWFLSA-N 0 0 457.258 4.562 20 0 JJADRN CC(=O)N[C@H](CC(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C)c1ccc(F)cc1F ZINC001437746297 1065599279 /nfs/dbraw/zinc/59/92/79/1065599279.db2.gz NSTQJCKKHNHPNL-RTWAWAEBSA-N 0 0 450.913 4.564 20 0 JJADRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCC(C)CC2)C1 ZINC001437747461 1065599953 /nfs/dbraw/zinc/59/99/53/1065599953.db2.gz DGDWQQISUGGCRT-NHCUHLMSSA-N 0 0 463.688 4.604 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)C1 ZINC001437748331 1065600001 /nfs/dbraw/zinc/60/00/01/1065600001.db2.gz GCVBNPODNCGPRI-GUYCJALGSA-N 0 0 455.502 4.546 20 0 JJADRN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001437757480 1065602047 /nfs/dbraw/zinc/60/20/47/1065602047.db2.gz FZCWNFABQWXNIP-LPHOPBHVSA-N 0 0 477.401 4.871 20 0 JJADRN CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1nc2cc(Br)ccc2s1 ZINC001437755744 1065602131 /nfs/dbraw/zinc/60/21/31/1065602131.db2.gz UGIONDDHTIFQCB-IBGZPJMESA-N 0 0 454.390 4.669 20 0 JJADRN Cc1ccc(Br)cc1CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001437770914 1065602953 /nfs/dbraw/zinc/60/29/53/1065602953.db2.gz ILLAGPXNDGOJFL-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2C)cccc1NC(=O)OC(C)(C)C ZINC001437767676 1065603080 /nfs/dbraw/zinc/60/30/80/1065603080.db2.gz LHLRKLCTMBMOSS-UHFFFAOYSA-N 0 0 459.597 4.930 20 0 JJADRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)C(=O)c1ccc(Br)s1 ZINC001437774986 1065604630 /nfs/dbraw/zinc/60/46/30/1065604630.db2.gz DMTUJWBTFDDDMA-UHFFFAOYSA-N 0 0 457.187 4.595 20 0 JJADRN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[C@@H]1c1cccc(C)c1 ZINC001437788240 1065605406 /nfs/dbraw/zinc/60/54/06/1065605406.db2.gz CQMFQTSMZZEEPY-GGAORHGYSA-N 0 0 451.567 4.915 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437789148 1065605973 /nfs/dbraw/zinc/60/59/73/1065605973.db2.gz AKAQUVVLHBHKAP-WTIAFYNJSA-N 0 0 460.615 4.790 20 0 JJADRN C[C@@H]1CCN(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001437789633 1065606190 /nfs/dbraw/zinc/60/61/90/1065606190.db2.gz FRZVCFCYVRXNAX-IRLDBZIGSA-N 0 0 476.621 4.779 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 ZINC001437790970 1065606856 /nfs/dbraw/zinc/60/68/56/1065606856.db2.gz JQTJGANWOAIKOR-RPHTVSPISA-N 0 0 457.615 4.827 20 0 JJADRN Cc1ccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1NC(=O)c1ccc(Br)cc1 ZINC001437789873 1065606864 /nfs/dbraw/zinc/60/68/64/1065606864.db2.gz LQEXQZFYZYKMOH-NQIIRXRSSA-N 0 0 479.321 4.554 20 0 JJADRN CCS(=O)(=O)N(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc1 ZINC001437791174 1065606892 /nfs/dbraw/zinc/60/68/92/1065606892.db2.gz FTRPCPMWXFGVCI-UHFFFAOYSA-N 0 0 454.335 4.687 20 0 JJADRN C[C@H]1CCC[C@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)O1 ZINC001437792641 1065607888 /nfs/dbraw/zinc/60/78/88/1065607888.db2.gz GXLLUTLOGUNKGO-GXSJLCMTSA-N 0 0 452.811 4.565 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC001360595883 1065608312 /nfs/dbraw/zinc/60/83/12/1065608312.db2.gz JICQOCFFFHECMF-OXQOHEQNSA-N 0 0 459.384 4.574 20 0 JJADRN CC(C)c1nc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)nn1-c1ccccc1Cl ZINC001437792741 1065608526 /nfs/dbraw/zinc/60/85/26/1065608526.db2.gz PQISNPREMNGSNN-SJORKVTESA-N 0 0 476.021 4.810 20 0 JJADRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1F ZINC001437794896 1065609424 /nfs/dbraw/zinc/60/94/24/1065609424.db2.gz MSKOZIQCJIJWBR-CYBMUJFWSA-N 0 0 452.413 4.966 20 0 JJADRN COc1ccnc(CNC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)c1F ZINC001437800372 1065610822 /nfs/dbraw/zinc/61/08/22/1065610822.db2.gz WWCAWBLANJNMFA-UHFFFAOYSA-N 0 0 450.333 4.662 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001437798507 1065610945 /nfs/dbraw/zinc/61/09/45/1065610945.db2.gz MHTKCQXAMXOMEV-VQIMIIECSA-N 0 0 458.274 4.659 20 0 JJADRN CCCc1nc(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nn1-c1ccccc1Cl ZINC001437801165 1065611608 /nfs/dbraw/zinc/61/16/08/1065611608.db2.gz YYJLXBXFADOHHW-DNVCBOLYSA-N 0 0 464.875 4.538 20 0 JJADRN C[C@@H]1CCCN(C(=O)CCc2nc(-c3ccccc3)no2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001437801210 1065611690 /nfs/dbraw/zinc/61/16/90/1065611690.db2.gz YUQWEZJLHGQYGU-UYAOXDASSA-N 0 0 456.587 4.601 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3cccc(OC(C)(C)C)c3)cc2)CC1 ZINC001360597278 1065612874 /nfs/dbraw/zinc/61/28/74/1065612874.db2.gz HWEKXYAAGWODFH-UHFFFAOYSA-N 0 0 452.551 4.532 20 0 JJADRN Cc1cn(C(C)(C)C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)nc1C(F)(F)F ZINC001437813849 1065613348 /nfs/dbraw/zinc/61/33/48/1065613348.db2.gz VMDUNRMNZJNJPX-SECBINFHSA-N 0 0 454.237 4.864 20 0 JJADRN CC/C(=C/C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1)c1ccc(C)cc1 ZINC001437819738 1065614911 /nfs/dbraw/zinc/61/49/11/1065614911.db2.gz ROYVLGQVIMDJMS-DEMHQBCASA-N 0 0 456.380 4.768 20 0 JJADRN CC[C@@H]1[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)CCN1C(=O)OC(C)(C)C ZINC001437817580 1065614938 /nfs/dbraw/zinc/61/49/38/1065614938.db2.gz YEMNYDINOAOOKS-LEWJYISDSA-N 0 0 479.556 4.591 20 0 JJADRN CC(C)c1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)nn1-c1ccccc1Cl ZINC001437837868 1065616771 /nfs/dbraw/zinc/61/67/71/1065616771.db2.gz JPDGYJLLRUMHIW-WOJBJXKFSA-N 0 0 465.985 4.515 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001437835624 1065616795 /nfs/dbraw/zinc/61/67/95/1065616795.db2.gz FNSRDCRVTSFMIQ-MTNREXPMSA-N 0 0 458.986 4.937 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccc(F)cc1F ZINC001437836875 1065616809 /nfs/dbraw/zinc/61/68/09/1065616809.db2.gz DIWUYYKRWZVOSC-FQEVSTJZSA-N 0 0 452.436 4.625 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001437840249 1065617483 /nfs/dbraw/zinc/61/74/83/1065617483.db2.gz PFUQFUJDWBYAAC-WOJBJXKFSA-N 0 0 457.361 4.650 20 0 JJADRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(Br)c(Cl)c1)c1ccccc1 ZINC001437841892 1065618400 /nfs/dbraw/zinc/61/84/00/1065618400.db2.gz SHNGRQGAFKFXSS-IAGOWNOFSA-N 0 0 453.739 4.713 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437841931 1065618509 /nfs/dbraw/zinc/61/85/09/1065618509.db2.gz VIGLOGKUZKAVIJ-XZUXRINTSA-N 0 0 454.998 4.628 20 0 JJADRN CC(C)C[C@@H](C(=O)N[C@H]1CCCSc2ccc(Br)cc21)N1CCCCC1=O ZINC001437849567 1065620098 /nfs/dbraw/zinc/62/00/98/1065620098.db2.gz NAOBEWOLGNUHEK-ROUUACIJSA-N 0 0 453.446 4.920 20 0 JJADRN COc1ccccc1CN(CCO)C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001545910329 1065620872 /nfs/dbraw/zinc/62/08/72/1065620872.db2.gz RHQGEZAHMDVMJH-UHFFFAOYSA-N 0 0 451.375 4.689 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC[C@H]1F ZINC001437871494 1065622663 /nfs/dbraw/zinc/62/26/63/1065622663.db2.gz OFFCVIJQCTUYAR-HMXCVIKNSA-N 0 0 464.484 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[C@H]1F ZINC001437872249 1065622725 /nfs/dbraw/zinc/62/27/25/1065622725.db2.gz PBJALWPYAGXMMH-HUUCEWRRSA-N 0 0 473.492 4.906 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001360600885 1065623105 /nfs/dbraw/zinc/62/31/05/1065623105.db2.gz KUKFLZOZAFICMT-UHFFFAOYSA-N 0 0 451.832 4.905 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001437873308 1065623223 /nfs/dbraw/zinc/62/32/23/1065623223.db2.gz RYHCSIPSLKAVTG-XFOPUKRJSA-N 0 0 457.546 4.501 20 0 JJADRN CNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c(OC)c1 ZINC001437877369 1065624205 /nfs/dbraw/zinc/62/42/05/1065624205.db2.gz YLFQXOSLELRYNJ-UHFFFAOYSA-N 0 0 450.438 4.934 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2nc(C3(C)CC3)ns2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001437876138 1065624338 /nfs/dbraw/zinc/62/43/38/1065624338.db2.gz TVYRYTSWHKMBES-LRDDRELGSA-N 0 0 450.967 4.709 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc2cc(OC)c(OC)cc2c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001437887497 1065625044 /nfs/dbraw/zinc/62/50/44/1065625044.db2.gz GDEGIEBBUTWJAG-IBGZPJMESA-N 0 0 451.914 4.754 20 0 JJADRN Cc1cc(=O)c(C(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2)nn1-c1ccccc1F ZINC001437892174 1065625997 /nfs/dbraw/zinc/62/59/97/1065625997.db2.gz GDMLTGLLAYAWIA-HXUWFJFHSA-N 0 0 455.533 4.954 20 0 JJADRN C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001437896956 1065627453 /nfs/dbraw/zinc/62/74/53/1065627453.db2.gz NYGCISMSIQXOQV-GCJKJVERSA-N 0 0 451.510 4.590 20 0 JJADRN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H]2CCCCc3cc(Br)ccc32)cc1 ZINC001437898786 1065627654 /nfs/dbraw/zinc/62/76/54/1065627654.db2.gz YHJMBTBKELIQFC-FQEVSTJZSA-N 0 0 450.398 4.505 20 0 JJADRN C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC001437898896 1065628380 /nfs/dbraw/zinc/62/83/80/1065628380.db2.gz SIBFYRHVVQSDJB-OAQYLSRUSA-N 0 0 457.489 4.632 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)Oc3cc(Cl)cc(Br)c3)CCC(=O)N2C)cc1 ZINC001437906438 1065629275 /nfs/dbraw/zinc/62/92/75/1065629275.db2.gz SXOPBTGKXZMLOI-PKOBYXMFSA-N 0 0 452.732 4.626 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001360606462 1065631611 /nfs/dbraw/zinc/63/16/11/1065631611.db2.gz CHPFHHQCBYKITK-OEMYIYORSA-N 0 0 473.593 4.707 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 ZINC001360606308 1065631632 /nfs/dbraw/zinc/63/16/32/1065631632.db2.gz BQWDCDKLAUUTGN-HNNXBMFYSA-N 0 0 494.409 4.774 20 0 JJADRN CC(C)(C)N(Cc1ccc(Br)cc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001437929176 1065631900 /nfs/dbraw/zinc/63/19/00/1065631900.db2.gz FJDAISTWEDUDAM-UHFFFAOYSA-N 0 0 454.368 4.500 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CC(F)C1 ZINC001360606823 1065632522 /nfs/dbraw/zinc/63/25/22/1065632522.db2.gz GGMAOZQXGVEYNV-KLHKWILBSA-N 0 0 497.562 4.892 20 0 JJADRN C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)CN1CCOCC1 ZINC001360606850 1065632652 /nfs/dbraw/zinc/63/26/52/1065632652.db2.gz RPGGGZSNPFAAFY-HSALFYBXSA-N 0 0 478.106 4.674 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCOCC1 ZINC001360606781 1065632688 /nfs/dbraw/zinc/63/26/88/1065632688.db2.gz FNOWTBMRYNWARV-OAHLLOKOSA-N 0 0 484.428 4.639 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC(F)(F)F ZINC001360606835 1065632715 /nfs/dbraw/zinc/63/27/15/1065632715.db2.gz GLBPGJIRLFEHGA-ZDUSSCGKSA-N 0 0 461.916 4.758 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001360607131 1065633674 /nfs/dbraw/zinc/63/36/74/1065633674.db2.gz IGFKNPBPFSJTLA-QRVBRYPASA-N 0 0 490.048 4.622 20 0 JJADRN CC(C)c1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001360607396 1065633716 /nfs/dbraw/zinc/63/37/16/1065633716.db2.gz JHESIDIRMSNJEV-CWAZBZNHSA-N 0 0 475.678 4.736 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOCC2(CC2)C1 ZINC001360607984 1065634458 /nfs/dbraw/zinc/63/44/58/1065634458.db2.gz LZROJXDIMPVQFR-MRXNPFEDSA-N 0 0 494.011 4.515 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC1 ZINC001360607811 1065634470 /nfs/dbraw/zinc/63/44/70/1065634470.db2.gz LHNBVPGTUVYRBF-HNNXBMFYSA-N 0 0 478.435 4.715 20 0 JJADRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(F)(F)F ZINC001360608039 1065634484 /nfs/dbraw/zinc/63/44/84/1065634484.db2.gz MRFVUBTWNFEVEQ-CYBMUJFWSA-N 0 0 461.916 4.758 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001545911021 1065634437 /nfs/dbraw/zinc/63/44/37/1065634437.db2.gz RLXBTANSCTTYBQ-QTEQDKRBSA-N 0 0 453.631 4.601 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001360608244 1065635280 /nfs/dbraw/zinc/63/52/80/1065635280.db2.gz NZJUOJIFULXMMI-INIZCTEOSA-N 0 0 488.995 4.930 20 0 JJADRN COc1cc(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)cc(OC)c1OC ZINC001437953476 1065635472 /nfs/dbraw/zinc/63/54/72/1065635472.db2.gz YECFOFIMVCUOMX-UHFFFAOYSA-N 0 0 451.704 4.929 20 0 JJADRN CS(C)(=O)=Nc1ccccc1C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001437962000 1065636248 /nfs/dbraw/zinc/63/62/48/1065636248.db2.gz LCAZHJXZTBRETQ-INIZCTEOSA-N 0 0 453.427 4.815 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC1CCCCC1 ZINC001545911278 1065636358 /nfs/dbraw/zinc/63/63/58/1065636358.db2.gz ZXFUWJWSIDMERN-HSZRJFAPSA-N 0 0 453.631 4.745 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC001360608392 1065636344 /nfs/dbraw/zinc/63/63/44/1065636344.db2.gz UYCJYXUPGHMFGA-FZKQIMNGSA-N 0 0 453.391 4.785 20 0 JJADRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCCCCC1 ZINC001360608756 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0 0 471.568 4.689 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC(F)(F)C2)CC1)C(F)(F)F ZINC001360631909 1065682395 /nfs/dbraw/zinc/68/23/95/1065682395.db2.gz DKCKBWRQSFWDPY-UONOGXRCSA-N 0 0 478.897 4.502 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2OCC[C@H]2C)CC1)C(F)(F)F ZINC001360632015 1065683145 /nfs/dbraw/zinc/68/31/45/1065683145.db2.gz GPVKLLIFCQEAPN-QWQRMKEZSA-N 0 0 492.373 4.750 20 0 JJADRN C[C@@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001360632158 1065683893 /nfs/dbraw/zinc/68/38/93/1065683893.db2.gz JLVGIGUMYBGWDS-OPAMFIHVSA-N 0 0 485.982 4.613 20 0 JJADRN CCn1c(SCC(=O)N(c2cc(C)ccc2C)C2CCOCC2)nnc1-c1cccs1 ZINC001438167055 1065684059 /nfs/dbraw/zinc/68/40/59/1065684059.db2.gz QWXOPJOTSNRNKN-UHFFFAOYSA-N 0 0 456.637 4.948 20 0 JJADRN C[C@H](N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSC(F)(F)F)CC1)C(F)(F)F ZINC001360632424 1065684782 /nfs/dbraw/zinc/68/47/82/1065684782.db2.gz OXGAASGBLDCQPL-LBPRGKRZSA-N 0 0 487.901 4.924 20 0 JJADRN C[C@@H](N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCC(F)(F)C2)CC1)C(F)(F)F ZINC001360632437 1065684796 /nfs/dbraw/zinc/68/47/96/1065684796.db2.gz PBKVYHZIUZABGL-CVEARBPZSA-N 0 0 451.528 4.864 20 0 JJADRN CCCCN(C(=O)c1cc(I)ccc1Br)c1ccccn1 ZINC001438171498 1065685130 /nfs/dbraw/zinc/68/51/30/1065685130.db2.gz KVIINEKRNFQTDM-UHFFFAOYSA-N 0 0 459.125 4.896 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2F)c2ccc(Cl)cc21 ZINC001360632912 1065686427 /nfs/dbraw/zinc/68/64/27/1065686427.db2.gz FCKGAJPEFCUNDX-SNVBAGLBSA-N 0 0 457.702 4.603 20 0 JJADRN CCCc1c(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cnn1-c1ccccc1 ZINC001360633096 1065686453 /nfs/dbraw/zinc/68/64/53/1065686453.db2.gz HVLBJTGBCNAZJA-QGZVFWFLSA-N 0 0 450.970 4.701 20 0 JJADRN CCCc1c(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cnn1-c1ccccc1 ZINC001360633095 1065686523 /nfs/dbraw/zinc/68/65/23/1065686523.db2.gz HVLBJTGBCNAZJA-KRWDZBQOSA-N 0 0 450.970 4.701 20 0 JJADRN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 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CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC001360634623 1065688942 /nfs/dbraw/zinc/68/89/42/1065688942.db2.gz DINIZSZAFYZTEC-JLTOFOAXSA-N 0 0 459.450 4.985 20 0 JJADRN O=C(OCc1c(OC(F)F)ccc2ccccc21)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001438183726 1065689160 /nfs/dbraw/zinc/68/91/60/1065689160.db2.gz DFVXFDUIIPPHDC-SFHVURJKSA-N 0 0 457.448 4.715 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001360635452 1065690689 /nfs/dbraw/zinc/69/06/89/1065690689.db2.gz OXPZJZWBIHKJIA-VWLOTQADSA-N 0 0 457.546 4.747 20 0 JJADRN CN(C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)[C@H](CCc1ccccc1)C(F)F ZINC001438191589 1065690950 /nfs/dbraw/zinc/69/09/50/1065690950.db2.gz QZKQSLHVLWOJOI-OAQYLSRUSA-N 0 0 453.526 4.881 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cccs2)C1 ZINC001360636251 1065691365 /nfs/dbraw/zinc/69/13/65/1065691365.db2.gz CMYSMAROGGACQE-CMKODMSKSA-N 0 0 475.659 4.759 20 0 JJADRN 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Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C ZINC001438201263 1065693454 /nfs/dbraw/zinc/69/34/54/1065693454.db2.gz WFDPRSZVZIXFHO-TZRRMPRUSA-N 0 0 456.627 4.672 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccnc(-c3ccccc3)c2)cc1 ZINC001438200228 1065693617 /nfs/dbraw/zinc/69/36/17/1065693617.db2.gz XXAKFOSYTMTQPD-SFTDATJTSA-N 0 0 457.574 4.847 20 0 JJADRN C[C@H](N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2CF)CC1)C(F)(F)F ZINC001360636690 1065694147 /nfs/dbraw/zinc/69/41/47/1065694147.db2.gz KKVVCYLNWNBJLP-GRDNDAEWSA-N 0 0 477.959 4.827 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)(C)c4ccccc43)CC2)cc1 ZINC001438205207 1065694457 /nfs/dbraw/zinc/69/44/57/1065694457.db2.gz TYBCYOPHDNGVRQ-UHFFFAOYSA-N 0 0 454.636 4.709 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCc2ccc(F)cc2)C1 ZINC001360636858 1065695952 /nfs/dbraw/zinc/69/59/52/1065695952.db2.gz MXGARMVIMSHEDY-PZJWPPBQSA-N 0 0 496.631 4.795 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)c(F)c2)C1 ZINC001360636902 1065695975 /nfs/dbraw/zinc/69/59/75/1065695975.db2.gz NJRLKYGEJQSEGV-AEFFLSMTSA-N 0 0 486.567 4.729 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)c(F)c2)C1 ZINC001360636903 1065695981 /nfs/dbraw/zinc/69/59/81/1065695981.db2.gz NJRLKYGEJQSEGV-FUHWJXTLSA-N 0 0 486.567 4.729 20 0 JJADRN CCN1c2ccc(NC(=O)C3(c4ccc(C)c(C)c4)CCOCC3)cc2OCC(C)(C)C1=O ZINC001438208465 1065696198 /nfs/dbraw/zinc/69/61/98/1065696198.db2.gz RZOXKMCHOHTBBD-UHFFFAOYSA-N 0 0 450.579 4.762 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)COCC3)C1 ZINC001360636926 1065696827 /nfs/dbraw/zinc/69/68/27/1065696827.db2.gz NWCMSBPWNNXJLX-SIKLNZKXSA-N 0 0 497.684 4.826 20 0 JJADRN C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCSC2(C)C)CC1)C(F)(F)F ZINC001360637006 1065697382 /nfs/dbraw/zinc/69/73/82/1065697382.db2.gz PIOYINYCCHOYHI-AEFFLSMTSA-N 0 0 459.626 4.615 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccoc2)C1 ZINC001360637144 1065698389 /nfs/dbraw/zinc/69/83/89/1065698389.db2.gz RPZXULMMSIXVHH-HKUYNNGSSA-N 0 0 469.561 4.855 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2F)C1 ZINC001360637134 1065698431 /nfs/dbraw/zinc/69/84/31/1065698431.db2.gz RLCLGUOMQSJUND-MOPGFXCFSA-N 0 0 480.588 4.657 20 0 JJADRN CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(CSc3ccccc3)cc2)CCOCC1 ZINC001438213517 1065698583 /nfs/dbraw/zinc/69/85/83/1065698583.db2.gz ZCDWXFKVKUJCLV-UHFFFAOYSA-N 0 0 456.608 4.783 20 0 JJADRN O=C(CSc1ccc(Br)cc1)NCc1ccc(Br)c(F)c1F ZINC001438213695 1065698618 /nfs/dbraw/zinc/69/86/18/1065698618.db2.gz WYRUYWVOZAPSNV-UHFFFAOYSA-N 0 0 451.130 4.898 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccoc2)C1 ZINC001360637145 1065698889 /nfs/dbraw/zinc/69/88/89/1065698889.db2.gz RPZXULMMSIXVHH-IEBWSBKVSA-N 0 0 469.561 4.855 20 0 JJADRN C[C@@H](N1CCN(c2nnc(CCOc3ccccc3)n2C2CC(C(C)(C)C)C2)CC1)C(F)(F)F 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SKPZCGAYZPLROH-VWQFJMCTSA-N 0 0 465.997 4.744 20 0 JJADRN CS(=O)(=O)Nc1ccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001545914477 1065701561 /nfs/dbraw/zinc/70/15/61/1065701561.db2.gz MHQOBYDNQPWIRB-UHFFFAOYSA-N 0 0 459.420 4.762 20 0 JJADRN CCN(C(=O)c1cc(Br)cs1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360638148 1065701672 /nfs/dbraw/zinc/70/16/72/1065701672.db2.gz YAIFZLFYJAUFTK-UHFFFAOYSA-N 0 0 451.434 4.864 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCCCO2)C1 ZINC001360638231 1065701924 /nfs/dbraw/zinc/70/19/24/1065701924.db2.gz AMBPBGZAJWIHNP-PCCBWWKXSA-N 0 0 477.694 4.956 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 ZINC001360638285 1065701936 /nfs/dbraw/zinc/70/19/36/1065701936.db2.gz BFDVICBHAZKVRK-VKGTZQKMSA-N 0 0 497.684 4.539 20 0 JJADRN CN1c2ccccc2N(C(=O)c2ccc(OC(F)(F)F)cc2Br)C(C)(C)C1=O ZINC001438248020 1065702246 /nfs/dbraw/zinc/70/22/46/1065702246.db2.gz NCNJJPKSDIKSIZ-UHFFFAOYSA-N 0 0 457.246 4.750 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(F)cc2)CC1 ZINC001360638396 1065702624 /nfs/dbraw/zinc/70/26/24/1065702624.db2.gz CXNDRXPZFHXJRB-SFHVURJKSA-N 0 0 482.604 4.785 20 0 JJADRN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCC(F)(F)CC1 ZINC001438251431 1065702653 /nfs/dbraw/zinc/70/26/53/1065702653.db2.gz OQZPLYMWWLGSKT-UHFFFAOYSA-N 0 0 450.461 4.562 20 0 JJADRN CCOc1cc(C(=O)N[C@H](c2cccc(C)c2)C(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001438256017 1065703123 /nfs/dbraw/zinc/70/31/23/1065703123.db2.gz ZPGPMOIOKWDNNS-SANMLTNESA-N 0 0 452.595 4.912 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCO2)C1 ZINC001360638562 1065703101 /nfs/dbraw/zinc/70/31/01/1065703101.db2.gz FXBFEWAVFYYNAP-ILWGZMRPSA-N 0 0 475.678 4.710 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2C/C=C/c2ccccc2)C1 ZINC001360638589 1065703530 /nfs/dbraw/zinc/70/35/30/1065703530.db2.gz GCTWCJNYMBHDRV-AJKUUOFVSA-N 0 0 474.609 4.793 20 0 JJADRN 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YNJFTFICUPXUCQ-UHFFFAOYSA-N 0 0 455.967 4.922 20 0 JJADRN O=C(/C=C/c1cccc(OC2CCCC2)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001438318928 1065708533 /nfs/dbraw/zinc/70/85/33/1065708533.db2.gz YNOWPIZTPIJXFQ-MKGTUJQCSA-N 0 0 458.480 4.962 20 0 JJADRN CCN(CC)[C@@H](C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001438320614 1065709019 /nfs/dbraw/zinc/70/90/19/1065709019.db2.gz AITQFTVEZZQBDS-QJWGWKRISA-N 0 0 455.546 4.838 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)cc2)C1 ZINC001360640021 1065709195 /nfs/dbraw/zinc/70/91/95/1065709195.db2.gz TUCIYFBRZHJKEB-SXLOBPIMSA-N 0 0 490.048 4.613 20 0 JJADRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001360640008 1065709242 /nfs/dbraw/zinc/70/92/42/1065709242.db2.gz QSGXSSUWJLIJDD-HZPDHXFCSA-N 0 0 451.792 4.603 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001360640006 1065709365 /nfs/dbraw/zinc/70/93/65/1065709365.db2.gz QSGXSSUWJLIJDD-CVEARBPZSA-N 0 0 451.792 4.603 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)cc2)C1 ZINC001360640020 1065709427 /nfs/dbraw/zinc/70/94/27/1065709427.db2.gz TUCIYFBRZHJKEB-IHPCNDPISA-N 0 0 490.048 4.613 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCC2(C)C)C1 ZINC001360640209 1065709994 /nfs/dbraw/zinc/70/99/94/1065709994.db2.gz VCLKNIBQRPKKJX-ZCNNSNEGSA-N 0 0 470.662 4.849 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCO2)C1 ZINC001360640671 1065710544 /nfs/dbraw/zinc/71/05/44/1065710544.db2.gz XZBRFMHLQSGQHS-XYJFISCASA-N 0 0 494.011 4.656 20 0 JJADRN Cc1c(C(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001438330242 1065710496 /nfs/dbraw/zinc/71/04/96/1065710496.db2.gz QKJOOCPNARPXTI-MGBGTMOVSA-N 0 0 459.575 4.606 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccc3F)n2CC2=CCCOC2)CC1 ZINC001360640815 1065710870 /nfs/dbraw/zinc/71/08/70/1065710870.db2.gz ZWFJPCZRSNVUPN-SFHVURJKSA-N 0 0 485.604 4.561 20 0 JJADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CC1=O ZINC001438337312 1065711142 /nfs/dbraw/zinc/71/11/42/1065711142.db2.gz KMKHZIMTLDZEPA-FNZWTVRRSA-N 0 0 452.982 4.787 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccsc2)C1 ZINC001360641011 1065711992 /nfs/dbraw/zinc/71/19/92/1065711992.db2.gz BNEUDUZOIVMABB-YLJYHZDGSA-N 0 0 485.629 4.857 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCCC3)n2Cc2nccn2C(F)F)CC1 ZINC001360641094 1065712692 /nfs/dbraw/zinc/71/26/92/1065712692.db2.gz CTVFCAMSYIJSGQ-INIZCTEOSA-N 0 0 493.603 4.705 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2=CCCCC2)CC1 ZINC001360641107 1065712729 /nfs/dbraw/zinc/71/27/29/1065712729.db2.gz CVKZIACJTMTETP-UGKGYDQZSA-N 0 0 473.662 4.802 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)nn1C1CCOCC1 ZINC001438343756 1065713324 /nfs/dbraw/zinc/71/33/24/1065713324.db2.gz XMXCBOSSUHAHMB-LJQANCHMSA-N 0 0 452.780 4.936 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CCCOC(F)(F)F)C1 ZINC001360641580 1065713741 /nfs/dbraw/zinc/71/37/41/1065713741.db2.gz KRXVQIISGSFDHD-RDJZCZTQSA-N 0 0 475.556 4.602 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3nsnc3c2)C1 ZINC001360641397 1065713759 /nfs/dbraw/zinc/71/37/59/1065713759.db2.gz HRMGHYXACOBGHO-WMZOPIPTSA-N 0 0 499.685 4.659 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(Cc3ccsc3)n2CCOC(C)(C)C)CC1 ZINC001360641382 1065713778 /nfs/dbraw/zinc/71/37/78/1065713778.db2.gz HOYLRRQUVVIMGB-GOSISDBHSA-N 0 0 491.702 4.875 20 0 JJADRN CC(C)Oc1cc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)ccc1Br ZINC001438346976 1065713939 /nfs/dbraw/zinc/71/39/39/1065713939.db2.gz SVSTZTVIAKROPI-KRWDZBQOSA-N 0 0 455.146 4.941 20 0 JJADRN O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001438347164 1065713992 /nfs/dbraw/zinc/71/39/92/1065713992.db2.gz WFKWFTRVXHDMSS-QHCPKHFHSA-N 0 0 451.368 4.729 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)Oc2ccc(-c3cccnc3)cc2Cl)C1 ZINC001438346878 1065714085 /nfs/dbraw/zinc/71/40/85/1065714085.db2.gz SKPMUOSEODGRLF-FQEVSTJZSA-N 0 0 450.922 4.625 20 0 JJADRN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC001438350980 1065714713 /nfs/dbraw/zinc/71/47/13/1065714713.db2.gz GEPDVFZGSNKLOD-HXUWFJFHSA-N 0 0 452.352 4.589 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCC2(F)F)C1 ZINC001360641752 1065714788 /nfs/dbraw/zinc/71/47/88/1065714788.db2.gz MTMSXPHWCXOGHV-RYQLBKOJSA-N 0 0 453.578 4.721 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001360641806 1065715275 /nfs/dbraw/zinc/71/52/75/1065715275.db2.gz NKUZAILKZRXNFA-FXAWDEMLSA-N 0 0 497.631 4.737 20 0 JJADRN Cn1ncc(Br)c1CNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001438355922 1065715370 /nfs/dbraw/zinc/71/53/70/1065715370.db2.gz HKQAZOWNVNKMTL-UHFFFAOYSA-N 0 0 455.143 4.558 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ncccc2N(C)C)CC1 ZINC001360642089 1065715679 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COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc(C4CCCCC4)cs3)CC2)c1 ZINC001438466789 1065723530 /nfs/dbraw/zinc/72/35/30/1065723530.db2.gz HKNONIGIGLWAJW-UHFFFAOYSA-N 0 0 457.596 4.699 20 0 JJADRN COc1cc(CN(C)C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c(SC)cc1OC ZINC001360647962 1065723710 /nfs/dbraw/zinc/72/37/10/1065723710.db2.gz FWFRKPBUDZTQDN-UHFFFAOYSA-N 0 0 451.592 4.826 20 0 JJADRN COc1cc(CN(C)C(=O)c2c(C)nn(C)c2Sc2ccccc2)c(SC)cc1OC ZINC001360648603 1065724080 /nfs/dbraw/zinc/72/40/80/1065724080.db2.gz TXLAZVNVEFEXIJ-UHFFFAOYSA-N 0 0 457.621 4.891 20 0 JJADRN COC(=O)Nc1cc(C(=O)NCc2ccc(OC3CCCCC3)nc2)cc(C(F)(F)F)c1 ZINC001360649121 1065724184 /nfs/dbraw/zinc/72/41/84/1065724184.db2.gz FIUYIKOHYSHAGZ-UHFFFAOYSA-N 0 0 451.445 4.920 20 0 JJADRN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc2c(s1)CCCCC2 ZINC001360649017 1065724317 /nfs/dbraw/zinc/72/43/17/1065724317.db2.gz CTNVYPBBPAQDMH-IBGZPJMESA-N 0 0 452.542 4.839 20 0 JJADRN COC(=O)c1cc(Cl)c(Cl)c(NC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)c1 ZINC001438482425 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YTHLUOVACXZUHA-KURKYZTESA-N 0 0 452.439 4.564 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001438490520 1065725734 /nfs/dbraw/zinc/72/57/34/1065725734.db2.gz YUETZFQCWRMCCH-KRWDZBQOSA-N 0 0 455.274 4.970 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cc3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC001360654194 1065725747 /nfs/dbraw/zinc/72/57/47/1065725747.db2.gz GHKXCVMVRZOHDY-AWEZNQCLSA-N 0 0 456.564 4.573 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cc3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC001360654195 1065726032 /nfs/dbraw/zinc/72/60/32/1065726032.db2.gz GHKXCVMVRZOHDY-CQSZACIVSA-N 0 0 456.564 4.573 20 0 JJADRN Cc1cc(C)c(C)c(OCCC(=O)N2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)c1 ZINC001438501651 1065726876 /nfs/dbraw/zinc/72/68/76/1065726876.db2.gz VPNBWHBZQGPMDV-UHFFFAOYSA-N 0 0 454.567 4.831 20 0 JJADRN Cc1scc(COC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1C ZINC001438501529 1065726941 /nfs/dbraw/zinc/72/69/41/1065726941.db2.gz NOFHZUDSNIJWTO-QHCPKHFHSA-N 0 0 455.601 4.532 20 0 JJADRN COc1cccc2c1OCC[C@@H]2OC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC001438503888 1065727341 /nfs/dbraw/zinc/72/73/41/1065727341.db2.gz FVIOZQQNRKHVJV-FQEVSTJZSA-N 0 0 450.487 4.972 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC001360658691 1065727785 /nfs/dbraw/zinc/72/77/85/1065727785.db2.gz NWFFCWQLZRXLGA-GOSISDBHSA-N 0 0 459.493 4.981 20 0 JJADRN COc1cccc2c1OCC[C@H]2OC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001438516479 1065728139 /nfs/dbraw/zinc/72/81/39/1065728139.db2.gz ZIXHMMXDHHENBP-JOCHJYFZSA-N 0 0 452.528 4.658 20 0 JJADRN COc1cc(C(C)=O)ccc1OCCCC(=O)OCc1ccc(Br)c(F)c1F ZINC001438526113 1065728367 /nfs/dbraw/zinc/72/83/67/1065728367.db2.gz ZBEOYUFBYIXASI-UHFFFAOYSA-N 0 0 457.267 4.841 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2csc(C(F)(F)F)c2)c1 ZINC001438532467 1065728960 /nfs/dbraw/zinc/72/89/60/1065728960.db2.gz WCVQNNDCDMTNPL-INIZCTEOSA-N 0 0 459.486 4.955 20 0 JJADRN COCCOc1cc(C(=O)OC)ccc1NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001438528035 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20 0 JJADRN CCc1cc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc(Cl)n1 ZINC001360672959 1065731471 /nfs/dbraw/zinc/73/14/71/1065731471.db2.gz AWTBAHUGPAUDMJ-QHCPKHFHSA-N 0 0 456.995 4.837 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC001438563976 1065731554 /nfs/dbraw/zinc/73/15/54/1065731554.db2.gz SQCVUZRRCOGIIU-QXAKKESOSA-N 0 0 454.558 4.760 20 0 JJADRN COc1cccc([C@H](NC(=O)c2cc(F)cc(N3CCOCC3)c2)c2ccccc2Cl)c1 ZINC001360673175 1065731573 /nfs/dbraw/zinc/73/15/73/1065731573.db2.gz FNMHURHXFWNAFJ-DEOSSOPVSA-N 0 0 454.929 4.844 20 0 JJADRN CC[C@H](C)n1nc(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1C ZINC001360673636 1065731937 /nfs/dbraw/zinc/73/19/37/1065731937.db2.gz OBEMOJVMALPQOF-UUOWRZLLSA-N 0 0 453.608 4.702 20 0 JJADRN CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001438565689 1065732226 /nfs/dbraw/zinc/73/22/26/1065732226.db2.gz LBLCDDMLFCPBKA-MJGOQNOKSA-N 0 0 458.961 4.501 20 0 JJADRN 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Cc1occc1C(=O)Nc1nc(CC(=O)Oc2c(Cl)cccc2Br)cs1 ZINC001438647610 1065740317 /nfs/dbraw/zinc/74/03/17/1065740317.db2.gz CQBCODZYNHIYBT-UHFFFAOYSA-N 0 0 455.717 4.861 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cs1 ZINC001360701500 1065740337 /nfs/dbraw/zinc/74/03/37/1065740337.db2.gz WJHAYIUQQUIKEC-UHFFFAOYSA-N 0 0 452.536 4.871 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@H]3C[C@@]34CCCN(C(=O)OC(C)(C)C)C4)cs2)cc1 ZINC001360702032 1065740848 /nfs/dbraw/zinc/74/08/48/1065740848.db2.gz RVBXATUBLBEVPT-NTKDMRAZSA-N 0 0 458.580 4.899 20 0 JJADRN COC(=O)Nc1ccc(CCNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 ZINC001360701902 1065740884 /nfs/dbraw/zinc/74/08/84/1065740884.db2.gz MYIMVLFVGCXVHQ-UHFFFAOYSA-N 0 0 459.955 4.835 20 0 JJADRN CSc1ccc(-c2nsc(NC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)n2)cc1 ZINC001360702107 1065740896 /nfs/dbraw/zinc/74/08/96/1065740896.db2.gz VQNSXTPRCAKJNA-HZPDHXFCSA-N 0 0 454.621 4.789 20 0 JJADRN CC[C@](C)(NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1nc(C)cs1 ZINC001360703301 1065741245 /nfs/dbraw/zinc/74/12/45/1065741245.db2.gz HFWKJXVNKVKFHW-RBZFPXEDSA-N 0 0 450.655 4.842 20 0 JJADRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1C(=O)c1ccccc1 ZINC001438667722 1065741836 /nfs/dbraw/zinc/74/18/36/1065741836.db2.gz ZOZQQUQQZYPGCT-UHFFFAOYSA-N 0 0 450.560 4.507 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(Cl)cc1Br ZINC001438675561 1065741935 /nfs/dbraw/zinc/74/19/35/1065741935.db2.gz GFOSTNCNQQJXLB-DLBZAZTESA-N 0 0 457.796 4.645 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(Cl)cc1Br ZINC001438675565 1065741968 /nfs/dbraw/zinc/74/19/68/1065741968.db2.gz GFOSTNCNQQJXLB-IAGOWNOFSA-N 0 0 457.796 4.645 20 0 JJADRN Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cnn1-c1cccc(C(F)(F)F)c1 ZINC001438676660 1065742048 /nfs/dbraw/zinc/74/20/48/1065742048.db2.gz GLSGDYYUJUWSAW-UHFFFAOYSA-N 0 0 458.440 4.809 20 0 JJADRN COC[C@H](NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)c1cccc(Br)c1 ZINC001438680103 1065742437 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/nfs/dbraw/zinc/78/37/54/1065783754.db2.gz DFVDUKMOPYLKNP-YLJYHZDGSA-N 0 0 473.593 4.851 20 0 JJADRN CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)C1 ZINC001360744953 1065783765 /nfs/dbraw/zinc/78/37/65/1065783765.db2.gz DNWKXSNCCXTMAI-RBUKOAKNSA-N 0 0 459.610 4.592 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC(=O)NC(C)(C)C ZINC001360744966 1065783907 /nfs/dbraw/zinc/78/39/07/1065783907.db2.gz DWHVIENEIPWRBD-JKSUJKDBSA-N 0 0 485.526 4.641 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccco1 ZINC001360745252 1065784226 /nfs/dbraw/zinc/78/42/26/1065784226.db2.gz IDWLUGJUDUHARU-RBUKOAKNSA-N 0 0 483.588 4.577 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCCC2)n1CCN(C)CC(F)(F)F ZINC001360745458 1065784310 /nfs/dbraw/zinc/78/43/10/1065784310.db2.gz KUNJGPPUKIAKPI-QGZVFWFLSA-N 0 0 457.516 4.822 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCCC2)n1CCN(C)CC(F)(F)F ZINC001360745457 1065784396 /nfs/dbraw/zinc/78/43/96/1065784396.db2.gz KUNJGPPUKIAKPI-KRWDZBQOSA-N 0 0 457.516 4.822 20 0 JJADRN COc1ccccc1[C@H]1CSCCCN1C(=O)[C@@H](OC)c1ccc(Br)s1 ZINC001439097707 1065785235 /nfs/dbraw/zinc/78/52/35/1065785235.db2.gz YWZBZQWIOZKWJV-KDOFPFPSSA-N 0 0 456.427 4.914 20 0 JJADRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001439099366 1065785406 /nfs/dbraw/zinc/78/54/06/1065785406.db2.gz CYKHNXNYJUQHNJ-UZLBHIALSA-N 0 0 452.542 4.808 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N[C@@]34CCC[C@@H]3N(C(=O)OC(C)(C)C)CC4)c2)c(C)c1 ZINC001439099971 1065785714 /nfs/dbraw/zinc/78/57/14/1065785714.db2.gz USBDKWBDXCCOKA-BKMJKUGQSA-N 0 0 451.567 4.728 20 0 JJADRN CCc1ccc(Br)c(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)c1 ZINC001439103517 1065786282 /nfs/dbraw/zinc/78/62/82/1065786282.db2.gz XEYREAMCDHJMGG-UHFFFAOYSA-N 0 0 455.072 4.779 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)c2)cn1 ZINC001439102043 1065786385 /nfs/dbraw/zinc/78/63/85/1065786385.db2.gz WCGIPQZMTCRRDY-GJZUVCINSA-N 0 0 451.567 4.631 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001360745935 1065786944 /nfs/dbraw/zinc/78/69/44/1065786944.db2.gz QOTGFBPBECYYOF-PZJWPPBQSA-N 0 0 485.648 4.982 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCCCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001360745911 1065787053 /nfs/dbraw/zinc/78/70/53/1065787053.db2.gz QGNLAUHIGZOGEJ-IBGZPJMESA-N 0 0 478.634 4.685 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001360745936 1065787062 /nfs/dbraw/zinc/78/70/62/1065787062.db2.gz QOTGFBPBECYYOF-TZIWHRDSSA-N 0 0 485.648 4.982 20 0 JJADRN O=C(NCC1(c2ccc(Br)cc2)CC1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001439110218 1065787382 /nfs/dbraw/zinc/78/73/82/1065787382.db2.gz DUFKQFCTWJHWNV-UHFFFAOYSA-N 0 0 455.396 4.717 20 0 JJADRN C[C@@H]1CCn2ncc(C(=O)N3CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)C3)c2C1 ZINC001439110012 1065787479 /nfs/dbraw/zinc/78/74/79/1065787479.db2.gz BRROEIYDGZVENR-KNKQGSTJSA-N 0 0 458.647 4.791 20 0 JJADRN Cn1cc(C(=O)NCCN(Cc2ccccc2)c2ccccn2)c(-c2ccc(Cl)s2)n1 ZINC001439109115 1065787590 /nfs/dbraw/zinc/78/75/90/1065787590.db2.gz CCKNTHUYMRPZOA-UHFFFAOYSA-N 0 0 451.983 4.634 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)NCC3(c4ccc(Br)cc4)CC3)CC2=O)cc1 ZINC001439110754 1065787852 /nfs/dbraw/zinc/78/78/52/1065787852.db2.gz FZSWGMLPSZTKOF-SFHVURJKSA-N 0 0 455.396 4.603 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)NCC3(c4ccc(Br)cc4)CC3)CC2=O)cc1 ZINC001439110738 1065787866 /nfs/dbraw/zinc/78/78/66/1065787866.db2.gz FZSWGMLPSZTKOF-GOSISDBHSA-N 0 0 455.396 4.603 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCc1ccncc1 ZINC001360746215 1065788092 /nfs/dbraw/zinc/78/80/92/1065788092.db2.gz VHKKWHBYCLQOTG-UTKZUKDTSA-N 0 0 493.505 4.743 20 0 JJADRN COc1ccccc1C(=O)C(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001439111176 1065788213 /nfs/dbraw/zinc/78/82/13/1065788213.db2.gz HYMNJGNGTJNOTJ-GHTZIAJQSA-N 0 0 458.599 4.590 20 0 JJADRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC001439118291 1065789492 /nfs/dbraw/zinc/78/94/92/1065789492.db2.gz QSPGEUJEIXPKJD-LJQANCHMSA-N 0 0 451.350 4.882 20 0 JJADRN O=C(Cc1ccccc1OCc1ccncc1)NCC1(c2ccc(Br)cc2)CC1 ZINC001439117705 1065789598 /nfs/dbraw/zinc/78/95/98/1065789598.db2.gz MDUCYGWVNCCVEI-UHFFFAOYSA-N 0 0 451.364 4.814 20 0 JJADRN CC(C)[C@H]1CCC[C@](NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)(C(F)(F)F)CC1 ZINC001439121920 1065790052 /nfs/dbraw/zinc/79/00/52/1065790052.db2.gz AALKMWZJVWZTAS-HTAPYJJXSA-N 0 0 459.574 4.993 20 0 JJADRN CC(C)(C)n1cc(C(=O)NCC2(c3ccc(Br)cc3)CC2)c(Br)n1 ZINC001439118920 1065790131 /nfs/dbraw/zinc/79/01/31/1065790131.db2.gz SEUSQSNZQDFKBW-UHFFFAOYSA-N 0 0 455.194 4.625 20 0 JJADRN CC(C)(C)[C@H]1CCC[C@@](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)(C(F)(F)F)CC1 ZINC001439121932 1065790617 /nfs/dbraw/zinc/79/06/17/1065790617.db2.gz ADHAISPGCNWIII-CVDCTZTESA-N 0 0 454.533 4.816 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001360749001 1065791116 /nfs/dbraw/zinc/79/11/16/1065791116.db2.gz JWKRPAREWLCBHS-IBGZPJMESA-N 0 0 483.588 4.795 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCSC(C)(C)C2)n1CCCc1nccs1 ZINC001360749286 1065791733 /nfs/dbraw/zinc/79/17/33/1065791733.db2.gz CHPDPXHLCUXGOV-INIZCTEOSA-N 0 0 461.632 4.978 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001439135730 1065792024 /nfs/dbraw/zinc/79/20/24/1065792024.db2.gz QVEXDOLJVLUWDD-SCLBCKFNSA-N 0 0 452.502 4.971 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC[C@@H]2C)n1CCC1CC(OC(C)(C)C)C1 ZINC001360749491 1065791967 /nfs/dbraw/zinc/79/19/67/1065791967.db2.gz DZCKHFBCULUTQV-BXRCABCMSA-N 0 0 460.594 4.766 20 0 JJADRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1csc(-c2ccc(Br)s2)n1 ZINC001439134865 1065792150 /nfs/dbraw/zinc/79/21/50/1065792150.db2.gz OKDNRTUHARJEMD-KCJUWKMLSA-N 0 0 455.321 4.864 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCOC(C)(C)C ZINC001360749459 1065792184 /nfs/dbraw/zinc/79/21/84/1065792184.db2.gz OBGAFZUQVWCNGY-HNNXBMFYSA-N 0 0 496.509 4.608 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCc2c(F)cc(F)cc2F)s1 ZINC001439147724 1065793020 /nfs/dbraw/zinc/79/30/20/1065793020.db2.gz FIGBWDUMSLCJLT-UHFFFAOYSA-N 0 0 457.271 4.929 20 0 JJADRN CN(C)[C@H](CCNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(F)(F)F ZINC001439159956 1065793600 /nfs/dbraw/zinc/79/36/00/1065793600.db2.gz LPQPJMWAIAIIJH-QZTJIDSGSA-N 0 0 459.306 4.568 20 0 JJADRN CN(C)[C@H](CCNC(=O)c1ccc(COc2ccccc2Br)cc1)C(F)(F)F ZINC001439161531 1065793958 /nfs/dbraw/zinc/79/39/58/1065793958.db2.gz SYYRGAWLHKVKNL-GOSISDBHSA-N 0 0 459.306 4.641 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001360750053 1065794063 /nfs/dbraw/zinc/79/40/63/1065794063.db2.gz TZTODDYCRAEHOZ-ADSMNUKGSA-N 0 0 488.629 4.778 20 0 JJADRN Cc1ccc(C)c(SCc2cccc(C(=O)NCCc3ccccc3S(C)(=O)=O)c2)c1 ZINC001439168019 1065794094 /nfs/dbraw/zinc/79/40/94/1065794094.db2.gz NLMDRQKYEFPGHQ-UHFFFAOYSA-N 0 0 453.629 4.972 20 0 JJADRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc[n+]([O-])c3)n2-c2ccccc2)cc1 ZINC001439175338 1065794481 /nfs/dbraw/zinc/79/44/81/1065794481.db2.gz URIPZZLZIAEUKZ-UHFFFAOYSA-N 0 0 459.575 4.596 20 0 JJADRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001439174284 1065794552 /nfs/dbraw/zinc/79/45/52/1065794552.db2.gz DQUGMABTXFGUSW-RTBURBONSA-N 0 0 455.860 4.566 20 0 JJADRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Br)c1C)O[C@@H](C)C2 ZINC001439176266 1065794650 /nfs/dbraw/zinc/79/46/50/1065794650.db2.gz MKWANGSQTCOORX-DCPHZVHLSA-N 0 0 458.396 4.942 20 0 JJADRN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001360750292 1065794561 /nfs/dbraw/zinc/79/45/61/1065794561.db2.gz VQCZJZKHJBTSDC-REWPJTCUSA-N 0 0 473.637 4.540 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CCOCC(F)(F)C(F)F ZINC001360750362 1065794610 /nfs/dbraw/zinc/79/46/10/1065794610.db2.gz MABCOUSIQYORID-ILXRZTDVSA-N 0 0 494.530 4.804 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360750437 1065795263 /nfs/dbraw/zinc/79/52/63/1065795263.db2.gz MTLOWLKMVKBQAZ-MVQHHFODSA-N 0 0 486.604 4.832 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCSCC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001360750390 1065795334 /nfs/dbraw/zinc/79/53/34/1065795334.db2.gz MERCCDPCPYCNTM-CYBMUJFWSA-N 0 0 487.548 4.828 20 0 JJADRN Cc1c(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc(I)cc1C(F)(F)F ZINC001439180705 1065795592 /nfs/dbraw/zinc/79/55/92/1065795592.db2.gz SLWFYANPTSYXLG-QWHCGFSZSA-N 0 0 453.242 4.620 20 0 JJADRN COc1ccc(-c2cc(C(=O)NCC[C@H]3CC[C@@H](C(F)(F)F)O3)nn2-c2ccccc2)cc1 ZINC001439180291 1065795605 /nfs/dbraw/zinc/79/56/05/1065795605.db2.gz PYMFBOZGYRPIRH-KNQAVFIVSA-N 0 0 459.468 4.778 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1CCCCC1 ZINC001360750710 1065795818 /nfs/dbraw/zinc/79/58/18/1065795818.db2.gz ZAZXEQASELWFFU-LJQANCHMSA-N 0 0 471.621 4.832 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CCCCC1=O ZINC001360750658 1065795860 /nfs/dbraw/zinc/79/58/60/1065795860.db2.gz PAHMLNUFVDDAQE-OTWHNJEPSA-N 0 0 493.574 4.687 20 0 JJADRN Cc1ccc(Oc2cc(Cl)ccc2CN(C)C(=O)c2ccccc2OCC(N)=O)c(C)c1 ZINC001439190020 1065795934 /nfs/dbraw/zinc/79/59/34/1065795934.db2.gz DKJMOOZRSLINHD-UHFFFAOYSA-N 0 0 452.938 4.885 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC001439183883 1065796125 /nfs/dbraw/zinc/79/61/25/1065796125.db2.gz HOHJXUHTNCIXEA-BDJLRTHQSA-N 0 0 455.146 4.619 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCc1cnn(C)c1 ZINC001360750872 1065796165 /nfs/dbraw/zinc/79/61/65/1065796165.db2.gz RARPKUWFCLEBPM-JXXFODFXSA-N 0 0 480.510 4.558 20 0 JJADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CC(C)(C)c1cccs1 ZINC001360750808 1065796187 /nfs/dbraw/zinc/79/61/87/1065796187.db2.gz QFAMUPVVFKDMRW-UWVAXJGDSA-N 0 0 458.603 4.804 20 0 JJADRN O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cc(Br)c2ccccc2c1 ZINC001439192684 1065796525 /nfs/dbraw/zinc/79/65/25/1065796525.db2.gz JJKVVFUZARHBEA-UHFFFAOYSA-N 0 0 453.336 4.646 20 0 JJADRN C[C@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC001439195797 1065797093 /nfs/dbraw/zinc/79/70/93/1065797093.db2.gz CIAPNKZQJDDULP-AWEZNQCLSA-N 0 0 454.924 4.530 20 0 JJADRN CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl ZINC001439202267 1065797501 /nfs/dbraw/zinc/79/75/01/1065797501.db2.gz HYJZKGMHKWRVLC-UHFFFAOYSA-N 0 0 451.901 4.805 20 0 JJADRN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl ZINC001439202022 1065797575 /nfs/dbraw/zinc/79/75/75/1065797575.db2.gz GUCOMIMNXBWOOK-UHFFFAOYSA-N 0 0 454.958 4.953 20 0 JJADRN CCCN(C(=O)Cc1ccc(I)cc1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001360751538 1065797779 /nfs/dbraw/zinc/79/77/79/1065797779.db2.gz CPJCJGAYWVGUJE-MOPGFXCFSA-N 0 0 455.380 4.810 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@H]1CCCCS1(=O)=O ZINC001360751368 1065797973 /nfs/dbraw/zinc/79/79/73/1065797973.db2.gz ZNGYGBZAJWHFNL-ZWOKBUDYSA-N 0 0 493.029 4.829 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1sc2ccccc2c1Br ZINC001439204090 1065797905 /nfs/dbraw/zinc/79/79/05/1065797905.db2.gz SJUGEWHUXZHHPA-HNNXBMFYSA-N 0 0 458.333 4.924 20 0 JJADRN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1sc2ccccc2c1Br ZINC001439204092 1065797936 /nfs/dbraw/zinc/79/79/36/1065797936.db2.gz SJUGEWHUXZHHPA-OAHLLOKOSA-N 0 0 458.333 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC2(CCOCC2)C1 ZINC001439203835 1065797990 /nfs/dbraw/zinc/79/79/90/1065797990.db2.gz ZRFWBXHOQDKNPN-YTFSRNRJSA-N 0 0 456.627 4.883 20 0 JJADRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(C)c(Cl)cc1I ZINC001360752849 1065798241 /nfs/dbraw/zinc/79/82/41/1065798241.db2.gz STYVQUBGPVRLDJ-IEBWSBKVSA-N 0 0 455.723 4.722 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ccco2)n1C[C@@](C)(O)c1ccco1 ZINC001360753261 1065798775 /nfs/dbraw/zinc/79/87/75/1065798775.db2.gz ABAPHKQYQFBCAM-QMHKHESXSA-N 0 0 456.930 4.802 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2)c(C)c1Cl ZINC001439211485 1065798964 /nfs/dbraw/zinc/79/89/64/1065798964.db2.gz BGKCSESQFGGNKE-DNVCBOLYSA-N 0 0 461.006 4.765 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001439215627 1065799534 /nfs/dbraw/zinc/79/95/34/1065799534.db2.gz BTYQVLGNJMYCHW-SJLPKXTDSA-N 0 0 478.058 4.939 20 0 JJADRN CCOc1c(Br)cc(C(=O)N(Cc2cnn(C)c2)c2ccc(C)cc2)cc1OC ZINC001439219777 1065799943 /nfs/dbraw/zinc/79/99/43/1065799943.db2.gz SRHQYGSCVDCPAK-UHFFFAOYSA-N 0 0 458.356 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)OCc2cc(Br)ccc2Cl)C1 ZINC001439221895 1065800773 /nfs/dbraw/zinc/80/07/73/1065800773.db2.gz FHMYOXZXZQVULQ-NHYWBVRUSA-N 0 0 450.732 4.741 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001439229711 1065802484 /nfs/dbraw/zinc/80/24/84/1065802484.db2.gz SFRKCTGJVMONOI-UHFFFAOYSA-N 0 0 456.543 4.954 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1 ZINC001360754025 1065802342 /nfs/dbraw/zinc/80/23/42/1065802342.db2.gz NBYOZRJXCSRDIT-RDJZCZTQSA-N 0 0 459.978 4.630 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(F)(F)F)n1CCCNc1ccccn1 ZINC001360754020 1065802360 /nfs/dbraw/zinc/80/23/60/1065802360.db2.gz MULJVSFSGFXXTQ-OAHLLOKOSA-N 0 0 468.911 4.967 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCOCC(F)F ZINC001360754139 1065802645 /nfs/dbraw/zinc/80/26/45/1065802645.db2.gz OTIBEGBPYLGOMX-HNAYVOBHSA-N 0 0 494.974 4.601 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001439234381 1065802922 /nfs/dbraw/zinc/80/29/22/1065802922.db2.gz GPTLLVIJVHGCNG-GUYCJALGSA-N 0 0 453.358 4.765 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@]1(C)COCCO1 ZINC001360754065 1065803147 /nfs/dbraw/zinc/80/31/47/1065803147.db2.gz NSJZEVMUOSRTNV-HJPURHCSSA-N 0 0 492.407 4.562 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2nccs2)n1C[C@](C)(O)c1ccco1 ZINC001360754224 1065803636 /nfs/dbraw/zinc/80/36/36/1065803636.db2.gz PWHGSRJAMZWQQA-NYHFZMIOSA-N 0 0 473.986 4.665 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCCc2cc(F)ccc2OC)c1 ZINC001439252387 1065804609 /nfs/dbraw/zinc/80/46/09/1065804609.db2.gz HWGXNSBMCDFZNS-UHFFFAOYSA-N 0 0 459.521 4.977 20 0 JJADRN Cc1cc(C)c2cc(NC(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)ccc2n1 ZINC001439264543 1065805817 /nfs/dbraw/zinc/80/58/17/1065805817.db2.gz KNQLHGXAMCPGLY-UHFFFAOYSA-N 0 0 452.436 4.977 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1OC ZINC001439268234 1065806529 /nfs/dbraw/zinc/80/65/29/1065806529.db2.gz AWWJODXASVPPBV-IEBWSBKVSA-N 0 0 470.919 4.930 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360754576 1065806750 /nfs/dbraw/zinc/80/67/50/1065806750.db2.gz XNHGBIWHQXHRNP-VVBPWWLESA-N 0 0 462.019 4.716 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001439269588 1065806963 /nfs/dbraw/zinc/80/69/63/1065806963.db2.gz YLJHZARTRWJKJE-QGZVFWFLSA-N 0 0 454.583 4.958 20 0 JJADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CCN1CCOCC1(C)C ZINC001360754688 1065807250 /nfs/dbraw/zinc/80/72/50/1065807250.db2.gz ZDUVHMYRFGSRDC-QGZVFWFLSA-N 0 0 498.018 4.664 20 0 JJADRN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccco2)CC1 ZINC001360755441 1065808649 /nfs/dbraw/zinc/80/86/49/1065808649.db2.gz CXPNCCFWZKZJIH-GOSISDBHSA-N 0 0 486.016 4.796 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H]1CCCCC1(F)F ZINC001360755627 1065809404 /nfs/dbraw/zinc/80/94/04/1065809404.db2.gz GXAICIYTEZYXEO-WCJKSRRJSA-N 0 0 481.975 4.599 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1nccc(-c2ccc(F)c(F)c2)n1 ZINC001439278604 1065810524 /nfs/dbraw/zinc/81/05/24/1065810524.db2.gz IZYFLJFSRDYWJW-QGZVFWFLSA-N 0 0 450.898 4.530 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]23C[C@H]2CCCC3)c1 ZINC001439281530 1065811003 /nfs/dbraw/zinc/81/10/03/1065811003.db2.gz WFJXTORUNXBOQN-QRQCRPRQSA-N 0 0 450.963 4.614 20 0 JJADRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 ZINC001439278692 1065811078 /nfs/dbraw/zinc/81/10/78/1065811078.db2.gz FGAFLFICSMOKQG-UHFFFAOYSA-N 0 0 450.882 4.776 20 0 JJADRN COC(=O)[C@@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1cccc2ccccc21 ZINC001439289046 1065811688 /nfs/dbraw/zinc/81/16/88/1065811688.db2.gz PJNIHTUSHTUCJM-SANMLTNESA-N 0 0 458.514 4.597 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC(=O)NC1CCCCC1 ZINC001360755939 1065812102 /nfs/dbraw/zinc/81/21/02/1065812102.db2.gz LWONCGFSKHLWEG-BZSNNMDCSA-N 0 0 460.022 4.755 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCC(F)F)n1CCC(=O)N1CCCCCC1 ZINC001360756041 1065812320 /nfs/dbraw/zinc/81/23/20/1065812320.db2.gz NMQNGRWACBHPAK-KRWDZBQOSA-N 0 0 483.991 4.956 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1OC(F)(F)F ZINC001439292043 1065812176 /nfs/dbraw/zinc/81/21/76/1065812176.db2.gz KGBIKPVGQGCJJO-QGZVFWFLSA-N 0 0 450.240 4.855 20 0 JJADRN C[C@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 ZINC001360756840 1065812870 /nfs/dbraw/zinc/81/28/70/1065812870.db2.gz ATTCLPHZLBWITP-JTQLQIEISA-N 0 0 451.670 4.815 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C ZINC001360756207 1065813705 /nfs/dbraw/zinc/81/37/05/1065813705.db2.gz QJHBTZUWWFGBHL-GAJHUEQPSA-N 0 0 453.027 4.730 20 0 JJADRN O=C(Nc1cccc(Oc2ccccc2F)c1)c1cc(Br)ccc1-n1cnnn1 ZINC001439311198 1065813842 /nfs/dbraw/zinc/81/38/42/1065813842.db2.gz NUDRAMWWJGUPSV-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCCc2ccccn2)n1CC1CCOCC1 ZINC001360756309 1065814226 /nfs/dbraw/zinc/81/42/26/1065814226.db2.gz RWLVBBIQGXGWOQ-IBGZPJMESA-N 0 0 470.017 4.962 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCc1ccc2c(c1)OCCCO2 ZINC001439320094 1065814659 /nfs/dbraw/zinc/81/46/59/1065814659.db2.gz ATUPZVUGIAAXIS-UHFFFAOYSA-N 0 0 458.967 4.818 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCOC[C@@H]1C ZINC001360756501 1065814969 /nfs/dbraw/zinc/81/49/69/1065814969.db2.gz VOFXFOVFHWYUSN-VQTJNVASSA-N 0 0 488.032 4.800 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCSCCCO ZINC001360756496 1065815171 /nfs/dbraw/zinc/81/51/71/1065815171.db2.gz VLYVDAUHHPHGLZ-KSZLIROESA-N 0 0 453.052 4.669 20 0 JJADRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cccc2ccccc21 ZINC001439327258 1065815122 /nfs/dbraw/zinc/81/51/22/1065815122.db2.gz YBZVYEVXXPHNFK-DHLKQENFSA-N 0 0 450.604 4.649 20 0 JJADRN COCCN(Cc1ccc(C)c(C)c1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001439327189 1065815221 /nfs/dbraw/zinc/81/52/21/1065815221.db2.gz WPHDDFIKVWMSGB-UHFFFAOYSA-N 0 0 451.588 4.566 20 0 JJADRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cccc2ccccc21 ZINC001439327261 1065815300 /nfs/dbraw/zinc/81/53/00/1065815300.db2.gz YBZVYEVXXPHNFK-RCZVLFRGSA-N 0 0 450.604 4.649 20 0 JJADRN CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCOC[C@H]1C ZINC001360756502 1065815431 /nfs/dbraw/zinc/81/54/31/1065815431.db2.gz VOFXFOVFHWYUSN-WOJBJXKFSA-N 0 0 488.032 4.800 20 0 JJADRN CC/C(=C\C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC001439336486 1065815804 /nfs/dbraw/zinc/81/58/04/1065815804.db2.gz AMOJMBHYUNHZRL-FZMWVVQVSA-N 0 0 456.505 4.793 20 0 JJADRN CC(C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001360756516 1065815931 /nfs/dbraw/zinc/81/59/31/1065815931.db2.gz VXJTVHMRZYBPQD-KDSXSNECSA-N 0 0 477.049 4.874 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)OC2CCCC2)n1Cc1ncccc1N(C)C ZINC001360756519 1065816145 /nfs/dbraw/zinc/81/61/45/1065816145.db2.gz VYYXNGHJCRRJSG-KRWDZBQOSA-N 0 0 471.005 4.891 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC001439339020 1065816719 /nfs/dbraw/zinc/81/67/19/1065816719.db2.gz IQGUFTDHKZEPCT-ZBFHGGJFSA-N 0 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CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCOC[C@H]1CC1CC1 ZINC001439581465 1065843110 /nfs/dbraw/zinc/84/31/10/1065843110.db2.gz MHWWALMDFKUXIP-QGZVFWFLSA-N 0 0 455.546 4.975 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccc(Br)c(Cl)c1 ZINC001439582499 1065843252 /nfs/dbraw/zinc/84/32/52/1065843252.db2.gz ZQXWFOQEZRLRGI-KDOFPFPSSA-N 0 0 458.780 4.562 20 0 JJADRN C[C@H](CC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21)n1cccc1 ZINC001439581529 1065843316 /nfs/dbraw/zinc/84/33/16/1065843316.db2.gz CMSNWVFWICOMMJ-HKBOAZHASA-N 0 0 453.583 4.596 20 0 JJADRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001360763411 1065843248 /nfs/dbraw/zinc/84/32/48/1065843248.db2.gz VVDXHGQAPXOLRA-VCBZYWHSSA-N 0 0 495.933 4.741 20 0 JJADRN Cc1cc(C(=O)N2CCOC[C@@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)ccc1F ZINC001439583945 1065844009 /nfs/dbraw/zinc/84/40/09/1065844009.db2.gz KHYXPMMEQXYNOJ-PMACEKPBSA-N 0 0 454.542 4.904 20 0 JJADRN CCCCCN=c1c(Br)cccn1C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001360763698 1065844004 /nfs/dbraw/zinc/84/40/04/1065844004.db2.gz AWJSMHRMGRNBHL-UHFFFAOYSA-N 0 0 452.780 4.867 20 0 JJADRN CC(C)[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001360764435 1065844733 /nfs/dbraw/zinc/84/47/33/1065844733.db2.gz AKGWOICULJRSDM-SIKLNZKXSA-N 0 0 487.645 4.612 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1CCCc1nccs1 ZINC001360764454 1065844813 /nfs/dbraw/zinc/84/48/13/1065844813.db2.gz ANWYFUSSRUELFC-QGZVFWFLSA-N 0 0 452.559 4.678 20 0 JJADRN Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)cc1 ZINC001360763882 1065844934 /nfs/dbraw/zinc/84/49/34/1065844934.db2.gz GUYPBYKTJKFKOE-UYAOXDASSA-N 0 0 457.412 4.838 20 0 JJADRN CN(C)c1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc(C(F)(F)F)c1 ZINC001439587053 1065845412 /nfs/dbraw/zinc/84/54/12/1065845412.db2.gz SDYCPIALCFVSKQ-UHFFFAOYSA-N 0 0 453.262 4.972 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001360764836 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HOXVFHMTYYJVJH-LHSJRXKWSA-N 0 0 454.518 4.618 20 0 JJADRN O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001439613909 1065847610 /nfs/dbraw/zinc/84/76/10/1065847610.db2.gz NVBFHHMDXGQZOY-STQMWFEESA-N 0 0 457.151 4.947 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001360764992 1065847633 /nfs/dbraw/zinc/84/76/33/1065847633.db2.gz JACPZWMIUVJZBH-JKSBSHDWSA-N 0 0 486.510 4.674 20 0 JJADRN CC(C)(C)OC(=O)NCC1(C(=O)NCc2c(Cl)cc(Br)cc2Cl)CC1 ZINC001439610418 1065847878 /nfs/dbraw/zinc/84/78/78/1065847878.db2.gz HCJONWNZFWBLAK-UHFFFAOYSA-N 0 0 452.176 4.677 20 0 JJADRN O=C(c1cnnn1-c1ccccc1Cl)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001439624188 1065849196 /nfs/dbraw/zinc/84/91/96/1065849196.db2.gz COSPMDGLQCCNCL-UHFFFAOYSA-N 0 0 452.139 4.535 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360765391 1065849613 /nfs/dbraw/zinc/84/96/13/1065849613.db2.gz QGUZYXYGEVWYPL-OALUTQOASA-N 0 0 478.634 4.563 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccoc2)n1Cc1nccc(C(F)F)n1 ZINC001360765351 1065849756 /nfs/dbraw/zinc/84/97/56/1065849756.db2.gz PRXXFIXIKWIYHV-CQSZACIVSA-N 0 0 458.444 4.563 20 0 JJADRN CCc1csc(-n2cc(C(=O)N3CCc4cc(Cl)cc(Br)c4C3)cn2)n1 ZINC001439635765 1065850540 /nfs/dbraw/zinc/85/05/40/1065850540.db2.gz CAWXWNIKVWJMFD-UHFFFAOYSA-N 0 0 451.777 4.506 20 0 JJADRN COCCOc1ccc(Cl)cc1C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC001439637874 1065851200 /nfs/dbraw/zinc/85/12/00/1065851200.db2.gz LNODKHRFOYDSOA-UHFFFAOYSA-N 0 0 459.167 4.980 20 0 JJADRN CSc1ncc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1-c1ccc(F)cc1 ZINC001439638054 1065851292 /nfs/dbraw/zinc/85/12/92/1065851292.db2.gz MPMYNNIMNTYVRK-LBPRGKRZSA-N 0 0 457.918 4.928 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2nccs2)n1CCCC1CCOCC1 ZINC001360765660 1065851300 /nfs/dbraw/zinc/85/13/00/1065851300.db2.gz WGTOGELACLBJPF-KRWDZBQOSA-N 0 0 459.591 4.857 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cnn1-c1ccccc1OC ZINC001439640834 1065851744 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ZVJSANNELZBKSR-UHFFFAOYSA-N 0 0 452.146 4.763 20 0 JJADRN COCCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2CC(C)C)c1Cl ZINC001439654162 1065853837 /nfs/dbraw/zinc/85/38/37/1065853837.db2.gz GOIPOUHCTBRTJV-UHFFFAOYSA-N 0 0 459.391 4.969 20 0 JJADRN CC(C)C1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001360766723 1065854060 /nfs/dbraw/zinc/85/40/60/1065854060.db2.gz BMJNOLWGKGJFRP-QHAWAJNXSA-N 0 0 473.637 4.539 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCCc2ccccn2)n1C[C@@H]1CCSC1 ZINC001360766778 1065854125 /nfs/dbraw/zinc/85/41/25/1065854125.db2.gz CPSAZDOZLFFARR-MOPGFXCFSA-N 0 0 455.603 4.774 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001360766870 1065854492 /nfs/dbraw/zinc/85/44/92/1065854492.db2.gz FIOJDJREYCGTOI-LUKYLMHMSA-N 0 0 483.510 4.518 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(CCC(F)(F)F)CC2CC2)n1Cc1ccn(C)n1 ZINC001360766889 1065854804 /nfs/dbraw/zinc/85/48/04/1065854804.db2.gz FSENSYATKKJALF-OAHLLOKOSA-N 0 0 466.483 4.508 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CCCc3cc(Cl)sc3Cl)cc2C1 ZINC001439675987 1065854955 /nfs/dbraw/zinc/85/49/55/1065854955.db2.gz FNFQTIGGNHWODN-UHFFFAOYSA-N 0 0 459.399 4.964 20 0 JJADRN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2cncc(Br)c2C)cc1 ZINC001439673456 1065855277 /nfs/dbraw/zinc/85/52/77/1065855277.db2.gz AXRGZNJYGNRKCK-UHFFFAOYSA-N 0 0 450.340 4.815 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2nccs2)n1C[C@@](C)(O)c1cccs1 ZINC001360766997 1065855456 /nfs/dbraw/zinc/85/54/56/1065855456.db2.gz HOYSQIDJPUBTKF-WAIKUNEKSA-N 0 0 487.626 4.662 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001360767254 1065855499 /nfs/dbraw/zinc/85/54/99/1065855499.db2.gz MMIVMGIOZCEHLD-IBGZPJMESA-N 0 0 493.587 4.511 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)NCCc3cc(F)cc(OCc4ccccc4)c3)c2n1 ZINC001439676239 1065855722 /nfs/dbraw/zinc/85/57/22/1065855722.db2.gz LWTUEPTWOKIELE-UHFFFAOYSA-N 0 0 454.452 4.666 20 0 JJADRN Cc1cc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001439677666 1065855918 /nfs/dbraw/zinc/85/59/18/1065855918.db2.gz HZLRNCAESXJANL-LJQANCHMSA-N 0 0 450.395 4.541 20 0 JJADRN Cc1cc([C@@H](CC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001439676159 1065855975 /nfs/dbraw/zinc/85/59/75/1065855975.db2.gz KPHSONHNJHZFRE-NNPDTBDGSA-N 0 0 471.001 4.932 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1 ZINC001360767275 1065856111 /nfs/dbraw/zinc/85/61/11/1065856111.db2.gz MSWQJSDQTYISKQ-FUHIMQAGSA-N 0 0 485.560 4.548 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC(C)(C)C ZINC001360767322 1065856180 /nfs/dbraw/zinc/85/61/80/1065856180.db2.gz NRBOQBJYLGNZPQ-DFQSSKMNSA-N 0 0 457.594 4.631 20 0 JJADRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001439685622 1065857163 /nfs/dbraw/zinc/85/71/63/1065857163.db2.gz WRWSFCUFTHMPAD-YVHKJVDXSA-N 0 0 454.368 4.685 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001360768156 1065858129 /nfs/dbraw/zinc/85/81/29/1065858129.db2.gz YFZKPLIFSFOSDT-OALUTQOASA-N 0 0 492.661 4.787 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC001439692003 1065858641 /nfs/dbraw/zinc/85/86/41/1065858641.db2.gz FPKUJRMTHBEUIS-INIZCTEOSA-N 0 0 457.621 4.641 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(Cl)ccc1Br ZINC001439694750 1065858684 /nfs/dbraw/zinc/85/86/84/1065858684.db2.gz QILGWQWPADJQHZ-SFHVURJKSA-N 0 0 452.776 4.714 20 0 JJADRN O=C(c1ccc(CSc2ccccc2)cc1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001439694868 1065858829 /nfs/dbraw/zinc/85/88/29/1065858829.db2.gz SWGISHFVRWRLNY-DEOSSOPVSA-N 0 0 451.613 4.981 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCSCCCO ZINC001360768959 1065858838 /nfs/dbraw/zinc/85/88/38/1065858838.db2.gz AQNZTWQWSSOPHO-OALUTQOASA-N 0 0 462.635 4.689 20 0 JJADRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001360768991 1065859229 /nfs/dbraw/zinc/85/92/29/1065859229.db2.gz 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/nfs/dbraw/zinc/88/51/00/1065885100.db2.gz QBPBINUVQNNHSM-OAHLLOKOSA-N 0 0 497.518 4.603 20 0 JJADRN COc1ccc([C@H](NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C2CCC2)cc1 ZINC001439837431 1065885288 /nfs/dbraw/zinc/88/52/88/1065885288.db2.gz VXRJTUSYGRGQGD-JOCHJYFZSA-N 0 0 453.539 4.743 20 0 JJADRN CC(C)(C(=O)NCC1(C)CCC2(CC1)OCCO2)c1csc(-c2c(F)cccc2F)n1 ZINC001439833528 1065885296 /nfs/dbraw/zinc/88/52/96/1065885296.db2.gz MYGNQUBSCWXQQJ-UHFFFAOYSA-N 0 0 450.551 4.806 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC001439844174 1065885748 /nfs/dbraw/zinc/88/57/48/1065885748.db2.gz QWYCTEGHMVNHLU-NHYWBVRUSA-N 0 0 451.224 4.527 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)c2ccc(OCC(C)C)cc2)C1 ZINC001439845111 1065885860 /nfs/dbraw/zinc/88/58/60/1065885860.db2.gz RZHXPQLAEWQMQV-FQEVSTJZSA-N 0 0 452.595 4.885 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)c(OCCC(C)C)c1 ZINC001439853912 1065886505 /nfs/dbraw/zinc/88/65/05/1065886505.db2.gz ZRDKCYFZJOOSMB-IBGZPJMESA-N 0 0 454.567 4.620 20 0 JJADRN CN1c2ccc(C(=O)NCC3(c4ccc(Br)cc4)CCCC3)cc2C(C)(C)C1=O ZINC001360779157 1065886370 /nfs/dbraw/zinc/88/63/70/1065886370.db2.gz IVJBJJLHHGBQGF-UHFFFAOYSA-N 0 0 455.396 4.945 20 0 JJADRN CCc1ccc([C@H](C)CC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001360779337 1065886430 /nfs/dbraw/zinc/88/64/30/1065886430.db2.gz KDIKQSJWZPJHCV-WOJBJXKFSA-N 0 0 457.014 4.843 20 0 JJADRN CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC001360779549 1065886883 /nfs/dbraw/zinc/88/68/83/1065886883.db2.gz ZRLGZKYYVXMLHO-VWNVYAMZSA-N 0 0 462.635 4.686 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(-c4ccco4)s3)CC2)c(Cl)c1 ZINC001360779571 1065886916 /nfs/dbraw/zinc/88/69/16/1065886916.db2.gz LVZAURNZWWAAKP-MRXNPFEDSA-N 0 0 458.967 4.722 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)ccc2s1 ZINC001439872625 1065888423 /nfs/dbraw/zinc/88/84/23/1065888423.db2.gz PIFXLBWEIHJGHE-UHFFFAOYSA-N 0 0 456.321 4.888 20 0 JJADRN C[C@H](OCCCn1c(N2CCCN(c3nccs3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360780243 1065888961 /nfs/dbraw/zinc/88/89/61/1065888961.db2.gz GDHGRZMDQNARDS-FQEVSTJZSA-N 0 0 468.671 4.917 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@]12C[C@H]1COC21CCC1)c1cccc(Cl)c1Cl ZINC001439895136 1065889840 /nfs/dbraw/zinc/88/98/40/1065889840.db2.gz OHPJULNPZBEUHJ-VELBRHGASA-N 0 0 469.409 4.977 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@]12C[C@H]1COC21CCC1)c1cccc(Cl)c1Cl ZINC001439895130 1065889883 /nfs/dbraw/zinc/88/98/83/1065889883.db2.gz OHPJULNPZBEUHJ-GKIWIXTESA-N 0 0 469.409 4.977 20 0 JJADRN C[C@H](OCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001360780674 1065890303 /nfs/dbraw/zinc/89/03/03/1065890303.db2.gz JTDPYPKCEOCVNI-SFHVURJKSA-N 0 0 485.032 4.512 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CC(=O)N(C)c4cc(C(F)(F)F)ccc43)cs2)cc1 ZINC001439902541 1065890352 /nfs/dbraw/zinc/89/03/52/1065890352.db2.gz LDIKFCKDJIXEDR-UHFFFAOYSA-N 0 0 459.493 4.943 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc(Cl)c1 ZINC001439904115 1065890368 /nfs/dbraw/zinc/89/03/68/1065890368.db2.gz GKETUVDKODSREN-GOSISDBHSA-N 0 0 451.832 4.579 20 0 JJADRN C[C@H](OCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC001360780889 1065890684 /nfs/dbraw/zinc/89/06/84/1065890684.db2.gz MYFNSRJOUIMGTL-KRWDZBQOSA-N 0 0 462.520 4.625 20 0 JJADRN C[C@H](OCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 ZINC001360780798 1065890894 /nfs/dbraw/zinc/89/08/94/1065890894.db2.gz LPTOCOFAWVVKHU-FUHWJXTLSA-N 0 0 451.398 4.849 20 0 JJADRN COc1ccc(-n2ccc(C(=O)Nc3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)n2)cc1 ZINC001439915289 1065890924 /nfs/dbraw/zinc/89/09/24/1065890924.db2.gz DTJWJHUUBDXAFK-UHFFFAOYSA-N 0 0 450.539 4.893 20 0 JJADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCOc1ncccc1F ZINC001360781039 1065891523 /nfs/dbraw/zinc/89/15/23/1065891523.db2.gz QJNDJCKSXONSEO-BZUAXINKSA-N 0 0 497.468 4.805 20 0 JJADRN C[C@H](OCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C)c1ccccc1 ZINC001360781347 1065891806 /nfs/dbraw/zinc/89/18/06/1065891806.db2.gz XBOCEUWOFUBVLQ-PZJWPPBQSA-N 0 0 451.619 4.505 20 0 JJADRN C[C@@H](OCCCn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C)c1ccccc1 ZINC001360781282 1065892078 /nfs/dbraw/zinc/89/20/78/1065892078.db2.gz VPFZRRNMOQCKJX-MRXNPFEDSA-N 0 0 484.402 4.691 20 0 JJADRN CC(C)(C)OC(=O)C1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCCCC1 ZINC001439922034 1065892456 /nfs/dbraw/zinc/89/24/56/1065892456.db2.gz MFBRYBHFTLGHAD-UHFFFAOYSA-N 0 0 451.976 4.643 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC001439920470 1065892604 /nfs/dbraw/zinc/89/26/04/1065892604.db2.gz JTKQDEAZGKGFQW-RXFWQSSRSA-N 0 0 455.599 4.725 20 0 JJADRN C[C@@H](OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1)c1ccccc1 ZINC001360781365 1065892812 /nfs/dbraw/zinc/89/28/12/1065892812.db2.gz XQDXIKUEDNQFPQ-IMSXRSKXSA-N 0 0 488.698 4.753 20 0 JJADRN C[C@@H](OCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360781449 1065892824 /nfs/dbraw/zinc/89/28/24/1065892824.db2.gz ZADLGSGSGGKKEK-GOSISDBHSA-N 0 0 489.542 4.799 20 0 JJADRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1)C2 ZINC001439922486 1065893080 /nfs/dbraw/zinc/89/30/80/1065893080.db2.gz KOTXNPPHTOIXSI-AREMUKBSSA-N 0 0 452.551 4.865 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)COC(c1ccccc1)c1ccccc1 ZINC001439923325 1065893085 /nfs/dbraw/zinc/89/30/85/1065893085.db2.gz NOSCVPNHTBCTAB-WXVAWEFUSA-N 0 0 450.579 4.698 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCOC3CCSCC3)cc12 ZINC001439929648 1065893663 /nfs/dbraw/zinc/89/36/63/1065893663.db2.gz GNYNIOLPHPBGDC-UHFFFAOYSA-N 0 0 450.029 4.750 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 ZINC001360782797 1065894046 /nfs/dbraw/zinc/89/40/46/1065894046.db2.gz RHEWHWVEHNIJLK-UHFFFAOYSA-N 0 0 459.955 4.809 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC001439960980 1065897997 /nfs/dbraw/zinc/89/79/97/1065897997.db2.gz AUVDGMCITJUUGT-IRLDBZIGSA-N 0 0 455.599 4.738 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NC3CCN(c4cccc(F)c4)CC3)s2)cc1 ZINC001360786301 1065899995 /nfs/dbraw/zinc/89/99/95/1065899995.db2.gz VOBOOPKAZICYDN-UHFFFAOYSA-N 0 0 453.539 4.547 20 0 JJADRN CCCn1c(C)c(C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)c2cc(OC)ccc21 ZINC001439971429 1065900006 /nfs/dbraw/zinc/90/00/06/1065900006.db2.gz UBFAAQOTJOMKML-HSZRJFAPSA-N 0 0 452.505 4.899 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1SC(F)(F)F ZINC001439985224 1065900022 /nfs/dbraw/zinc/90/00/22/1065900022.db2.gz YNDWRIGIDPIEBO-KRWDZBQOSA-N 0 0 452.498 4.618 20 0 JJADRN CCCc1c(C(=O)NCC[C@@H]2CCC(F)(F)C2)nnn1Cc1cccc(Br)c1 ZINC001439993929 1065900673 /nfs/dbraw/zinc/90/06/73/1065900673.db2.gz HNYSUXZIHFULEW-AWEZNQCLSA-N 0 0 455.347 4.597 20 0 JJADRN CCCc1c(C(=O)NCC[C@H]2CCC(F)(F)C2)nnn1Cc1cccc(Br)c1 ZINC001439993942 1065900709 /nfs/dbraw/zinc/90/07/09/1065900709.db2.gz HNYSUXZIHFULEW-CQSZACIVSA-N 0 0 455.347 4.597 20 0 JJADRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC001440005998 1065901757 /nfs/dbraw/zinc/90/17/57/1065901757.db2.gz ZMRJMSZLWLNHHL-UHFFFAOYSA-N 0 0 456.999 4.920 20 0 JJADRN O=C(Nc1ccc(-c2ccccc2F)nn1)c1ccc(I)cc1Cl ZINC001440008043 1065901802 /nfs/dbraw/zinc/90/18/02/1065901802.db2.gz CCFHXJXUVOAWJL-UHFFFAOYSA-N 0 0 453.642 4.793 20 0 JJADRN O=C(Nc1ccc(Br)cc1OC(F)F)C(=O)c1ccc(Br)s1 ZINC001440018659 1065903085 /nfs/dbraw/zinc/90/30/85/1065903085.db2.gz NNJXVWAZYMXXIX-UHFFFAOYSA-N 0 0 455.074 4.696 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)CC2)c1C ZINC001440019589 1065903109 /nfs/dbraw/zinc/90/31/09/1065903109.db2.gz KWRBFMHLYXHOKU-UHFFFAOYSA-N 0 0 452.620 4.762 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 ZINC001440022648 1065903767 /nfs/dbraw/zinc/90/37/67/1065903767.db2.gz YQOYCJBJTODXHZ-BJKOFHAPSA-N 0 0 463.622 4.903 20 0 JJADRN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cccc([C@@H]2CCCC(C)(C)C2)c1 ZINC001440025875 1065904022 /nfs/dbraw/zinc/90/40/22/1065904022.db2.gz AVDDHHSCBPXVGX-OAQYLSRUSA-N 0 0 451.611 4.926 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)C2 ZINC001440027083 1065904256 /nfs/dbraw/zinc/90/42/56/1065904256.db2.gz HZBNWJCHALUDEE-SXLOBPIMSA-N 0 0 452.599 4.823 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCC2CCC(F)(F)CC2)c1)c1ccccc1 ZINC001440029712 1065904623 /nfs/dbraw/zinc/90/46/23/1065904623.db2.gz PXTXGMCXMDLZAZ-QGZVFWFLSA-N 0 0 450.551 4.672 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)nc1C ZINC001440029385 1065904667 /nfs/dbraw/zinc/90/46/67/1065904667.db2.gz FXWQPODGVOLDFH-UHFFFAOYSA-N 0 0 450.278 4.611 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC001360790516 1065905013 /nfs/dbraw/zinc/90/50/13/1065905013.db2.gz KEBSELFGTDQQDK-REWPJTCUSA-N 0 0 455.986 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccnc(Oc3ccc(F)cc3F)c1)C2 ZINC001440030332 1065905081 /nfs/dbraw/zinc/90/50/81/1065905081.db2.gz VWBUNMSGNNJWPL-QGTPRVQTSA-N 0 0 459.493 4.670 20 0 JJADRN O=C(Nc1nc2cc(F)c(Br)cc2[nH]1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001440030925 1065905105 /nfs/dbraw/zinc/90/51/05/1065905105.db2.gz AVZSOQHPDOZFMP-UHFFFAOYSA-N 0 0 453.271 4.969 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC001360790503 1065905149 /nfs/dbraw/zinc/90/51/49/1065905149.db2.gz JUKVDYNKUCBRMC-INIZCTEOSA-N 0 0 454.739 4.652 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001360790802 1065905607 /nfs/dbraw/zinc/90/56/07/1065905607.db2.gz LNCCWJYJMXIGTE-GOSISDBHSA-N 0 0 457.958 4.722 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001440035847 1065905644 /nfs/dbraw/zinc/90/56/44/1065905644.db2.gz MZAKMVJVYXEGIZ-UHFFFAOYSA-N 0 0 459.088 4.937 20 0 JJADRN Cc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cnn1-c1ccccn1 ZINC001360791673 1065905811 /nfs/dbraw/zinc/90/58/11/1065905811.db2.gz UDAWITQDWJEWJG-UHFFFAOYSA-N 0 0 453.384 4.970 20 0 JJADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001360791227 1065905910 /nfs/dbraw/zinc/90/59/10/1065905910.db2.gz OAXIEMCROUQTBZ-IRLDBZIGSA-N 0 0 458.002 4.766 20 0 JJADRN COC(=O)c1ccc2cc(CCNC(=O)COc3ccccc3OCc3ccccc3)oc2c1 ZINC001440046283 1065906445 /nfs/dbraw/zinc/90/64/45/1065906445.db2.gz RDWFVYYXNDDTJB-UHFFFAOYSA-N 0 0 459.498 4.536 20 0 JJADRN O=C(COc1ccc(Cl)cc1Br)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001360791723 1065906543 /nfs/dbraw/zinc/90/65/43/1065906543.db2.gz VNKBICWNAVQBPA-CQSZACIVSA-N 0 0 458.183 4.920 20 0 JJADRN COc1cc(C)c(Br)cc1C(=O)N1CCN(C)c2ccc(Br)cc21 ZINC001440051842 1065907074 /nfs/dbraw/zinc/90/70/74/1065907074.db2.gz NUJCBGDXHGFXBV-UHFFFAOYSA-N 0 0 454.162 4.625 20 0 JJADRN COC(=O)c1cc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc(F)c1Cl ZINC001440049597 1065907136 /nfs/dbraw/zinc/90/71/36/1065907136.db2.gz KOBPVJPMULNDNK-UHFFFAOYSA-N 0 0 451.885 4.845 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccc(F)cc2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793217 1065907497 /nfs/dbraw/zinc/90/74/97/1065907497.db2.gz IOOUYRATBNLEQB-VEXUSMLFSA-N 0 0 456.558 4.769 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCCc1nc(Cc2ccccc2)no1 ZINC001440061042 1065907585 /nfs/dbraw/zinc/90/75/85/1065907585.db2.gz KPKOSQCNMZFJSP-UHFFFAOYSA-N 0 0 457.317 4.903 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)N2C[C@@H](C)Cc3c(C(F)(F)F)ccc(C)c32)CC1 ZINC001440055402 1065907618 /nfs/dbraw/zinc/90/76/18/1065907618.db2.gz ADTCRAZLJGVXTI-HOCLYGCPSA-N 0 0 456.574 4.777 20 0 JJADRN COc1ccc(/C=C\C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1OC ZINC001360793053 1065907701 /nfs/dbraw/zinc/90/77/01/1065907701.db2.gz HDILGYMHPHGDQX-ZSOIEALJSA-N 0 0 453.516 4.552 20 0 JJADRN Cc1onc(-c2cccnc2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001440064459 1065908141 /nfs/dbraw/zinc/90/81/41/1065908141.db2.gz LLQUHPYDQZUCRI-OAQYLSRUSA-N 0 0 454.571 4.543 20 0 JJADRN Cc1onc(-c2cccnc2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001440064455 1065908358 /nfs/dbraw/zinc/90/83/58/1065908358.db2.gz LLQUHPYDQZUCRI-NRFANRHFSA-N 0 0 454.571 4.543 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)/C=C/c1cnc3ccccc3n1)CC2 ZINC001440067896 1065908748 /nfs/dbraw/zinc/90/87/48/1065908748.db2.gz YLFXKIGKVQAWRU-YSESTWPTSA-N 0 0 450.583 4.527 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)c1cc(C)n(-c3ccc(Br)cc3)n1)C2 ZINC001440072065 1065908936 /nfs/dbraw/zinc/90/89/36/1065908936.db2.gz ZTOZCQMUPRYLML-GOSISDBHSA-N 0 0 454.368 4.629 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)C1 ZINC001440075643 1065909465 /nfs/dbraw/zinc/90/94/65/1065909465.db2.gz GVOKMFVUAZTGKV-VONVNUAUSA-N 0 0 463.416 4.633 20 0 JJADRN CC(C)N1C(=O)c2ccc(C(=O)Nc3cccc(CSC4CCCC4)c3)cc2S1(=O)=O ZINC001360795784 1065909468 /nfs/dbraw/zinc/90/94/68/1065909468.db2.gz MTHGFJUMIFFFQQ-UHFFFAOYSA-N 0 0 458.605 4.668 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N(Cc1cccs1)Cc1ccncc1 ZINC001440076729 1065910149 /nfs/dbraw/zinc/91/01/49/1065910149.db2.gz PYXZTKPEKCJNDV-UHFFFAOYSA-N 0 0 458.374 4.932 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC001440080449 1065910690 /nfs/dbraw/zinc/91/06/90/1065910690.db2.gz RFCBNMSDKMWJHY-DJJJIMSYSA-N 0 0 477.321 4.987 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001360800776 1065911728 /nfs/dbraw/zinc/91/17/28/1065911728.db2.gz LKKIWOLBSNNIGR-LAUBAEHRSA-N 0 0 456.583 4.985 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)COc2ccc(C3SCCCS3)cc2)[C@H]1C ZINC001440101131 1065911749 /nfs/dbraw/zinc/91/17/49/1065911749.db2.gz IYTXQKVTKPNGAM-MXTNKPTQSA-N 0 0 451.654 4.759 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@H]1C ZINC001440101276 1065912106 /nfs/dbraw/zinc/91/21/06/1065912106.db2.gz JFAWOESWVLJTRK-PWAOUJBFSA-N 0 0 454.615 4.810 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@@H]1C ZINC001440101227 1065912218 /nfs/dbraw/zinc/91/22/18/1065912218.db2.gz JFAWOESWVLJTRK-ICDONNSOSA-N 0 0 454.615 4.810 20 0 JJADRN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@H]1C ZINC001440101265 1065912248 /nfs/dbraw/zinc/91/22/48/1065912248.db2.gz JFAWOESWVLJTRK-ODEMNLNRSA-N 0 0 454.615 4.810 20 0 JJADRN CC1(C)C[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(CC(F)F)CC1 ZINC001360801542 1065912230 /nfs/dbraw/zinc/91/22/30/1065912230.db2.gz GVUSJVNGWUUKAW-ZDUSSCGKSA-N 0 0 488.808 4.794 20 0 JJADRN COCC[C@H]1CCN(C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c2ccccc21 ZINC001440109149 1065912633 /nfs/dbraw/zinc/91/26/33/1065912633.db2.gz DOZCRXXIBBKXBM-GOSISDBHSA-N 0 0 458.484 4.824 20 0 JJADRN CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 ZINC001440113602 1065913199 /nfs/dbraw/zinc/91/31/99/1065913199.db2.gz IIFAQBJLWAUWHY-FQEVSTJZSA-N 0 0 458.484 4.914 20 0 JJADRN Cc1nc(C2CCC2)sc1CC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001440113467 1065913279 /nfs/dbraw/zinc/91/32/79/1065913279.db2.gz RHUFDCJWWUIJPS-MRXNPFEDSA-N 0 0 457.600 4.762 20 0 JJADRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC001440115685 1065913326 /nfs/dbraw/zinc/91/33/26/1065913326.db2.gz WCFPQKZHPBZXHT-YSIASYRMSA-N 0 0 452.555 4.690 20 0 JJADRN CC1(C)CC(Cn2c(-c3ccc[nH]3)nnc2N(CCO)Cc2cc(Br)ccc2F)C1 ZINC001360801833 1065913280 /nfs/dbraw/zinc/91/32/80/1065913280.db2.gz PMYLKSMJIYAQEZ-UHFFFAOYSA-N 0 0 476.394 4.610 20 0 JJADRN C[C@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001360802177 1065913676 /nfs/dbraw/zinc/91/36/76/1065913676.db2.gz AJAUVQHQVMUKAI-LOSJGSFVSA-N 0 0 494.602 4.534 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@]34CCCN(C(=O)OC(C)(C)C)C4)C2)c1 ZINC001440119299 1065913765 /nfs/dbraw/zinc/91/37/65/1065913765.db2.gz SFXCNQUCBJDDNT-BKMJKUGQSA-N 0 0 455.599 4.579 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCCC2(C)C)CC1)C(F)(F)F ZINC001360802176 1065913888 /nfs/dbraw/zinc/91/38/88/1065913888.db2.gz AJAUVQHQVMUKAI-JWQCQUIFSA-N 0 0 494.602 4.534 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001360802735 1065914313 /nfs/dbraw/zinc/91/43/13/1065914313.db2.gz MLNGMHCEAKAEOO-FQEVSTJZSA-N 0 0 491.480 4.526 20 0 JJADRN CC1(C)CCC[C@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC=C(Br)C1 ZINC001360802808 1065914350 /nfs/dbraw/zinc/91/43/50/1065914350.db2.gz NWTQHHMWHPCOGV-QFIPXVFZSA-N 0 0 481.385 4.577 20 0 JJADRN COC1(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCC(F)(F)CC1 ZINC001440127049 1065914268 /nfs/dbraw/zinc/91/42/68/1065914268.db2.gz ZLVNLFJSAOGZPF-QGZVFWFLSA-N 0 0 459.459 4.846 20 0 JJADRN O=C(CCn1ccnc1)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 ZINC001440125536 1065914433 /nfs/dbraw/zinc/91/44/33/1065914433.db2.gz ZFDLPUMOJAGCAE-UHFFFAOYSA-N 0 0 450.848 4.774 20 0 JJADRN Cn1cc(-c2csc(NC(=O)CCc3ccc4c(c3)CCO4)c2C(=O)OC(C)(C)C)cn1 ZINC001440139927 1065914779 /nfs/dbraw/zinc/91/47/79/1065914779.db2.gz HQXGHQZPBIIOGJ-UHFFFAOYSA-N 0 0 453.564 4.610 20 0 JJADRN O=C(Nc1cncc(C(F)(F)F)c1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001440139090 1065914895 /nfs/dbraw/zinc/91/48/95/1065914895.db2.gz DDEKYNFTMZWNBT-UHFFFAOYSA-N 0 0 451.246 4.790 20 0 JJADRN CC(C)(CNC(=O)CCCCCc1ccc(I)cc1)C1=CCOCC1 ZINC001440139874 1065914996 /nfs/dbraw/zinc/91/49/96/1065914996.db2.gz HFWFZIGPJARQGD-UHFFFAOYSA-N 0 0 455.380 4.883 20 0 JJADRN Cc1cc(C)n2ccc(C(=O)Nc3scc(-c4cnn(C)c4)c3C(=O)OC(C)(C)C)c2n1 ZINC001440139548 1065915061 /nfs/dbraw/zinc/91/50/61/1065915061.db2.gz ILODDALKGXHAEK-UHFFFAOYSA-N 0 0 451.552 4.621 20 0 JJADRN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)cc1 ZINC001360804036 1065915281 /nfs/dbraw/zinc/91/52/81/1065915281.db2.gz LQGFRWLVZBSRGA-HXUWFJFHSA-N 0 0 450.398 4.837 20 0 JJADRN COC(=O)[C@@]1(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[C@H](C)c2ccccc21 ZINC001440142000 1065915412 /nfs/dbraw/zinc/91/54/12/1065915412.db2.gz DBMKBGOTCAQSQV-MRDQGFSESA-N 0 0 452.551 4.658 20 0 JJADRN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)no1 ZINC001360804506 1065915719 /nfs/dbraw/zinc/91/57/19/1065915719.db2.gz UVBQTAKWMFSVPS-INIZCTEOSA-N 0 0 453.852 4.662 20 0 JJADRN CC1(C)CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360804889 1065915724 /nfs/dbraw/zinc/91/57/24/1065915724.db2.gz AVWNRKFIXGSUIF-NVXWUHKLSA-N 0 0 483.476 4.779 20 0 JJADRN Cn1cc(-c2csc(NC(=O)c3cccc4c3OCCCO4)c2C(=O)OC(C)(C)C)cn1 ZINC001440142127 1065915900 /nfs/dbraw/zinc/91/59/00/1065915900.db2.gz QSGIBVVWFQHMBM-UHFFFAOYSA-N 0 0 455.536 4.518 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC001440146615 1065916962 /nfs/dbraw/zinc/91/69/62/1065916962.db2.gz AFAAJMKOGJZQGK-LBPRGKRZSA-N 0 0 458.422 4.550 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(C)ccc1I ZINC001440146262 1065917027 /nfs/dbraw/zinc/91/70/27/1065917027.db2.gz JOFREPXWJYZTRN-CYBMUJFWSA-N 0 0 454.377 4.843 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(Br)c(OC)c(OC)c1 ZINC001440147807 1065917129 /nfs/dbraw/zinc/91/71/29/1065917129.db2.gz OTCOVVSDIYWCKK-GFCCVEGCSA-N 0 0 453.402 4.710 20 0 JJADRN C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCC2(C)C)CC1)C(F)(F)F ZINC001360805475 1065917179 /nfs/dbraw/zinc/91/71/79/1065917179.db2.gz RSMLQHGJIFIFHE-HTAPYJJXSA-N 0 0 451.537 4.696 20 0 JJADRN COC(=O)[C@]1(NC(=O)c2cccc(OCc3csc(C)n3)c2)CC[C@@H](C)c2ccccc21 ZINC001440152385 1065917433 /nfs/dbraw/zinc/91/74/33/1065917433.db2.gz SVSYHJBLGHSESP-CPJLOUKISA-N 0 0 450.560 4.726 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 ZINC001440151480 1065917524 /nfs/dbraw/zinc/91/75/24/1065917524.db2.gz LCYJWQWQPBAUGA-JQHSSLGASA-N 0 0 456.505 4.842 20 0 JJADRN CC1(C)CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360805654 1065917980 /nfs/dbraw/zinc/91/79/80/1065917980.db2.gz WHDAZAGTTNBFMX-ROUUACIJSA-N 0 0 466.598 4.656 20 0 JJADRN CCOc1ccc(-c2nc(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC001440152572 1065917841 /nfs/dbraw/zinc/91/78/41/1065917841.db2.gz MAMYMYUHQQIRMU-QGZVFWFLSA-N 0 0 459.612 4.976 20 0 JJADRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)CC[C@H](C)c3ccccc32)c1 ZINC001440154054 1065917886 /nfs/dbraw/zinc/91/78/86/1065917886.db2.gz WLWCWMQVPXULQT-UZTOHYMASA-N 0 0 450.579 4.644 20 0 JJADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001440156548 1065917911 /nfs/dbraw/zinc/91/79/11/1065917911.db2.gz WJCFFQOAHQVUQR-QGZVFWFLSA-N 0 0 455.603 4.657 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCCC(C)(C)C3)n2CCc2ccccn2)C1 ZINC001360806045 1065918294 /nfs/dbraw/zinc/91/82/94/1065918294.db2.gz KGZMPHVHEMXHIH-HXUWFJFHSA-N 0 0 468.646 4.657 20 0 JJADRN CC1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCC(F)(F)F)C1 ZINC001360805897 1065918423 /nfs/dbraw/zinc/91/84/23/1065918423.db2.gz DZBDNQZCFDCUAV-GOSISDBHSA-N 0 0 452.521 4.788 20 0 JJADRN CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 ZINC001360805715 1065918474 /nfs/dbraw/zinc/91/84/74/1065918474.db2.gz XOYDUGQKCCDGRM-NDEPHWFRSA-N 0 0 467.477 4.881 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCO[C@@H](c3ccccc3)CC2)nnc1-c1ccccc1 ZINC001440161574 1065918456 /nfs/dbraw/zinc/91/84/56/1065918456.db2.gz ZKVVAQIHCGKZOZ-DENIHFKCSA-N 0 0 450.608 4.998 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCO[C@@H](c3ccccc3)CC2)nnc1-c1ccccc1 ZINC001440161579 1065918517 /nfs/dbraw/zinc/91/85/17/1065918517.db2.gz ZKVVAQIHCGKZOZ-SIKLNZKXSA-N 0 0 450.608 4.998 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N2CCO[C@H](c3ccccc3)CC2)nnc1-c1ccccc1 ZINC001440161581 1065918575 /nfs/dbraw/zinc/91/85/75/1065918575.db2.gz ZKVVAQIHCGKZOZ-UGKGYDQZSA-N 0 0 450.608 4.998 20 0 JJADRN CC1(C)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](C(F)F)N2CCOCC2)C1 ZINC001360806716 1065918850 /nfs/dbraw/zinc/91/88/50/1065918850.db2.gz VBTKHDZOYBJLJT-IBGZPJMESA-N 0 0 485.982 4.720 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCC(C)(C)C3)n2CCCOCC(F)F)CC1 ZINC001360806785 1065918918 /nfs/dbraw/zinc/91/89/18/1065918918.db2.gz YDXBKQRNABLPEQ-UHFFFAOYSA-N 0 0 485.620 4.691 20 0 JJADRN O=C(Nc1ncc(Oc2ccccc2)cn1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001440165494 1065918999 /nfs/dbraw/zinc/91/89/99/1065918999.db2.gz RESABOIMRGLFDN-HXUWFJFHSA-N 0 0 453.340 4.807 20 0 JJADRN O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2CCC[C@H]2C(F)(F)F)c1 ZINC001440165102 1065919085 /nfs/dbraw/zinc/91/90/85/1065919085.db2.gz MOAXXGJQNXCZOW-KRWDZBQOSA-N 0 0 455.274 4.797 20 0 JJADRN CC1(C)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCSCCCO)C1 ZINC001360807963 1065920181 /nfs/dbraw/zinc/92/01/81/1065920181.db2.gz DRDPLWWDRVLLLF-UHFFFAOYSA-N 0 0 473.470 4.906 20 0 JJADRN CCOCc1nc(C)c(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)s1 ZINC001440171454 1065920139 /nfs/dbraw/zinc/92/01/39/1065920139.db2.gz OGEFFQFAFHLGMJ-QGZVFWFLSA-N 0 0 451.633 4.535 20 0 JJADRN Cc1c(C(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1 ZINC001440172796 1065920674 /nfs/dbraw/zinc/92/06/74/1065920674.db2.gz SDFKANRGHIRHHS-FQEVSTJZSA-N 0 0 452.599 4.728 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1cnc(-c3ccccn3)s1)CC2 ZINC001440173912 1065920816 /nfs/dbraw/zinc/92/08/16/1065920816.db2.gz VGCWINSUMLKWLS-QGZVFWFLSA-N 0 0 456.612 4.752 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)C1 ZINC001440176656 1065920849 /nfs/dbraw/zinc/92/08/49/1065920849.db2.gz UAZSLBHVEUBGNC-AWEZNQCLSA-N 0 0 451.354 4.689 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)Cc2ccc3cnccc3c2)CC1 ZINC001440179540 1065921416 /nfs/dbraw/zinc/92/14/16/1065921416.db2.gz HXGYRNXDZPHCTA-UHFFFAOYSA-N 0 0 451.489 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2ccc(Br)c(Cl)c2F)C1 ZINC001440179625 1065921461 /nfs/dbraw/zinc/92/14/61/1065921461.db2.gz IXCJJZWFJYDTLU-RNCFNFMXSA-N 0 0 453.711 4.775 20 0 JJADRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)CCc1cccc(OC(F)F)c1)CCOC2 ZINC001440178629 1065921544 /nfs/dbraw/zinc/92/15/44/1065921544.db2.gz ZPGRYBQWQWCMLH-UHFFFAOYSA-N 0 0 453.507 4.949 20 0 JJADRN COc1ccc(CCC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)cc1Br ZINC001440181691 1065921915 /nfs/dbraw/zinc/92/19/15/1065921915.db2.gz JFIJPBBKOONKOM-HXUWFJFHSA-N 0 0 453.380 4.928 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC001440183349 1065921931 /nfs/dbraw/zinc/92/19/31/1065921931.db2.gz UKFFBNSMSSCIQT-UHFFFAOYSA-N 0 0 453.461 4.746 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1oc2ccc(F)cc2c1C ZINC001545928722 1065922629 /nfs/dbraw/zinc/92/26/29/1065922629.db2.gz IHXCZGWIIPCELL-QFIPXVFZSA-N 0 0 485.604 4.690 20 0 JJADRN Cc1sc(NC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)nc1Br ZINC001440196644 1065923083 /nfs/dbraw/zinc/92/30/83/1065923083.db2.gz VPUMQPXRTIOVEJ-UHFFFAOYSA-N 0 0 452.374 4.639 20 0 JJADRN Cc1c(Br)cc(I)cc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC001440207934 1065923482 /nfs/dbraw/zinc/92/34/82/1065923482.db2.gz FPEMZXAOUCPPGB-BBRMVZONSA-N 0 0 470.148 4.896 20 0 JJADRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC001440201882 1065923686 /nfs/dbraw/zinc/92/36/86/1065923686.db2.gz ABSHQDIRKZWQGA-OAQYLSRUSA-N 0 0 452.599 4.533 20 0 JJADRN CC(C)Cn1nc(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)c2ccccc2c1=O ZINC001360809632 1065923800 /nfs/dbraw/zinc/92/38/00/1065923800.db2.gz JSURCZNDDJPIHG-RUZDIDTESA-N 0 0 455.558 4.740 20 0 JJADRN COC(=O)CCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)c1cccc(F)c1 ZINC001360809722 1065923915 /nfs/dbraw/zinc/92/39/15/1065923915.db2.gz GKQXEXJUXANADJ-UHFFFAOYSA-N 0 0 455.486 4.884 20 0 JJADRN CSCC[C@H](C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC001440211132 1065924296 /nfs/dbraw/zinc/92/42/96/1065924296.db2.gz LJFNREUFTMOFHG-CYFNAFFESA-N 0 0 477.413 4.631 20 0 JJADRN CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c(Cl)cc1Cl ZINC001440209758 1065924325 /nfs/dbraw/zinc/92/43/25/1065924325.db2.gz YRHKOGLUASVNIT-XIRDDKMYSA-N 0 0 469.434 4.994 20 0 JJADRN COC(=O)CCN(C(=O)c1cc(Br)ccc1Br)c1cccc(F)c1 ZINC001360810791 1065924382 /nfs/dbraw/zinc/92/43/82/1065924382.db2.gz ZKXMIMLMRSABKF-UHFFFAOYSA-N 0 0 459.109 4.561 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(F)(F)F)cc2)c1 ZINC001440213612 1065924666 /nfs/dbraw/zinc/92/46/66/1065924666.db2.gz FODOARZBSOEBDB-QRWLVFNGSA-N 0 0 455.498 4.874 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC001440213200 1065924749 /nfs/dbraw/zinc/92/47/49/1065924749.db2.gz XOERYVSJGVYDTC-NYSBEXSLSA-N 0 0 479.429 4.827 20 0 JJADRN CCC[C@@H](NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001360811919 1065924787 /nfs/dbraw/zinc/92/47/87/1065924787.db2.gz MCUDVXQLJQCIID-LJQANCHMSA-N 0 0 456.530 4.844 20 0 JJADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC001440213068 1065924806 /nfs/dbraw/zinc/92/48/06/1065924806.db2.gz XHSBRNLDUMNXGN-XGHQBKJUSA-N 0 0 461.389 4.531 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2c3ccc(Cl)cc3C[C@H]2C)c1)c1ccccc1 ZINC001440217297 1065924820 /nfs/dbraw/zinc/92/48/20/1065924820.db2.gz WWEYVMARQBFPMY-SJORKVTESA-N 0 0 454.979 4.971 20 0 JJADRN CN(CC[C@@H]1CCCCN1C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)OC(C)(C)C ZINC001440229797 1065925271 /nfs/dbraw/zinc/92/52/71/1065925271.db2.gz UCEGVCQIVWWADK-NRFANRHFSA-N 0 0 457.640 4.915 20 0 JJADRN CC1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(Br)s1 ZINC001360812115 1065925367 /nfs/dbraw/zinc/92/53/67/1065925367.db2.gz BXUXKNALFOYYMI-UHFFFAOYSA-N 0 0 494.484 4.715 20 0 JJADRN CC1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[C@H]1CCCCO1 ZINC001360812707 1065925751 /nfs/dbraw/zinc/92/57/51/1065925751.db2.gz PSLCWNYWQCKGSO-GOSISDBHSA-N 0 0 463.420 4.958 20 0 JJADRN CC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001360812888 1065925814 /nfs/dbraw/zinc/92/58/14/1065925814.db2.gz XROWZSOAMHLDGS-UHFFFAOYSA-N 0 0 464.536 4.921 20 0 JJADRN CC1(C)CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001360813853 1065926396 /nfs/dbraw/zinc/92/63/96/1065926396.db2.gz DWMKYYXXYXWTGG-LJQANCHMSA-N 0 0 485.982 4.878 20 0 JJADRN CC1(C)CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001360813852 1065926411 /nfs/dbraw/zinc/92/64/11/1065926411.db2.gz DWMKYYXXYXWTGG-IBGZPJMESA-N 0 0 485.982 4.878 20 0 JJADRN COc1ccccc1C1(C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)CCCCC1 ZINC001440248846 1065926282 /nfs/dbraw/zinc/92/62/82/1065926282.db2.gz NNFCTHZDOQZZCL-UHFFFAOYSA-N 0 0 455.498 4.507 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)NCc3cc(Cl)c(OC)c(OC)c3)CC2(Cl)Cl)cc1 ZINC001440249705 1065926379 /nfs/dbraw/zinc/92/63/79/1065926379.db2.gz GXYMELAGLNAERO-HXUWFJFHSA-N 0 0 458.769 4.888 20 0 JJADRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001440249596 1065926402 /nfs/dbraw/zinc/92/64/02/1065926402.db2.gz OTTVQPXTCPBDDH-IGNZVWTISA-N 0 0 453.322 4.507 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001440273970 1065926723 /nfs/dbraw/zinc/92/67/23/1065926723.db2.gz IOEKNKLQSPFIBQ-INIZCTEOSA-N 0 0 453.967 4.770 20 0 JJADRN CCc1c(C(=O)N[C@H](C)c2cc(F)ccc2N(C)C)cnn1-c1ccc(Br)cc1 ZINC001440252316 1065926832 /nfs/dbraw/zinc/92/68/32/1065926832.db2.gz JCXXRCFVHBRLIT-CQSZACIVSA-N 0 0 459.363 4.893 20 0 JJADRN C[C@@](O)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C)CC1)c1ccccc1 ZINC001360814449 1065927307 /nfs/dbraw/zinc/92/73/07/1065927307.db2.gz VWCGGQMSRBGHDD-JOCHJYFZSA-N 0 0 458.404 4.570 20 0 JJADRN O=C(Cc1csc(-c2cccnc2)n1)Oc1cc(Br)ccc1Br ZINC001440276466 1065927518 /nfs/dbraw/zinc/92/75/18/1065927518.db2.gz FVWUMXPXRXTOTJ-UHFFFAOYSA-N 0 0 454.143 4.878 20 0 JJADRN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C ZINC001360814851 1065928028 /nfs/dbraw/zinc/92/80/28/1065928028.db2.gz MAPLANOOTRXGEQ-UHFFFAOYSA-N 0 0 450.944 4.684 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)Cc1cccc(Br)c1 ZINC001360815001 1065928036 /nfs/dbraw/zinc/92/80/36/1065928036.db2.gz PGACHGUBKNFEIZ-CYBMUJFWSA-N 0 0 458.805 4.505 20 0 JJADRN Cc1ccc(C[C@H](C)N(C)C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC001360815312 1065928417 /nfs/dbraw/zinc/92/84/17/1065928417.db2.gz VPNRTLXDPQNDLJ-FQEVSTJZSA-N 0 0 457.603 4.819 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc2ccccc2c1Cl ZINC001360815353 1065928500 /nfs/dbraw/zinc/92/85/00/1065928500.db2.gz WIPUMMMFOLLFIH-UHFFFAOYSA-N 0 0 452.985 4.845 20 0 JJADRN CC[C@@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)Cc1cccc(Br)c1 ZINC001360815234 1065928517 /nfs/dbraw/zinc/92/85/17/1065928517.db2.gz TZRKXQGDPVVQIE-KOSHJBKYSA-N 0 0 457.412 4.829 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001440298138 1065929261 /nfs/dbraw/zinc/92/92/61/1065929261.db2.gz ZPHSQQCMVSDGAS-KRWDZBQOSA-N 0 0 453.514 4.505 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001440298141 1065929343 /nfs/dbraw/zinc/92/93/43/1065929343.db2.gz ZPHSQQCMVSDGAS-QGZVFWFLSA-N 0 0 453.514 4.505 20 0 JJADRN CC1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001360816323 1065929495 /nfs/dbraw/zinc/92/94/95/1065929495.db2.gz 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1065959187 /nfs/dbraw/zinc/95/91/87/1065959187.db2.gz QEQJTFLTROSZID-UHFFFAOYSA-N 0 0 458.031 4.664 20 0 JJADRN CCC[C@@H](C)N(C(=O)c1nc(CC)n(-c2ccccc2)n1)c1nc(C)c(C(=O)OCC)s1 ZINC001360849434 1065959316 /nfs/dbraw/zinc/95/93/16/1065959316.db2.gz DFUYDJIKCWOGTC-OAHLLOKOSA-N 0 0 455.584 4.607 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2)cc1 ZINC001440658015 1065959450 /nfs/dbraw/zinc/95/94/50/1065959450.db2.gz FKFGAMSHEXSHLW-OAHLLOKOSA-N 0 0 455.605 4.938 20 0 JJADRN COc1ccccc1[C@H](O)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC001440656140 1065959668 /nfs/dbraw/zinc/95/96/68/1065959668.db2.gz IAZRCRAAWBUOHL-MHZLTWQESA-N 0 0 455.558 4.857 20 0 JJADRN C[C@@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cc(Br)cc4c3O)sc2C1 ZINC001440659706 1065960066 /nfs/dbraw/zinc/96/00/66/1065960066.db2.gz RPGGYVPUPCVYOE-MRVPVSSYSA-N 0 0 452.761 4.778 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1cc(C(=O)Oc2ccc3oc4ccccc4c3c2)nn1 ZINC001440658391 1065960111 /nfs/dbraw/zinc/96/01/11/1065960111.db2.gz NADDQTRSGYGBJV-UHFFFAOYSA-N 0 0 450.495 4.702 20 0 JJADRN Cc1sc(C)c(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccco2)c1Br ZINC001360850505 1065960717 /nfs/dbraw/zinc/96/07/17/1065960717.db2.gz GZYSSXDNMUKBIX-AWEZNQCLSA-N 0 0 451.390 4.501 20 0 JJADRN Cc1sc(C)c(Cn2c(Cc3ccccn3)nnc2N(C)CC2CC(F)C2)c1Br ZINC001360850490 1065960804 /nfs/dbraw/zinc/96/08/04/1065960804.db2.gz GEZZRTJKZBSKGI-UHFFFAOYSA-N 0 0 478.435 4.937 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)CC1 ZINC001360850581 1065961242 /nfs/dbraw/zinc/96/12/42/1065961242.db2.gz ITMAURVTYJBPOV-UHFFFAOYSA-N 0 0 486.458 4.625 20 0 JJADRN CN(CCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC001440667838 1065961188 /nfs/dbraw/zinc/96/11/88/1065961188.db2.gz ZGFFSAUBSFXOHO-XTEPFMGCSA-N 0 0 455.602 4.809 20 0 JJADRN Cc1sc(C)c(Cn2c(CC(C)C)nnc2N2CCC3(C2)CCOCC3)c1Br ZINC001360850659 1065961487 /nfs/dbraw/zinc/96/14/87/1065961487.db2.gz LDSIOKGNUXXWJI-UHFFFAOYSA-N 0 0 467.477 4.973 20 0 JJADRN Cc1sc(C)c(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2nccs2)c1Br ZINC001360850694 1065961603 /nfs/dbraw/zinc/96/16/03/1065961603.db2.gz MOVUMYLFEQQSFC-CQSZACIVSA-N 0 0 468.446 4.712 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001360850761 1065961944 /nfs/dbraw/zinc/96/19/44/1065961944.db2.gz OWAPZYFPNHPCHC-UHFFFAOYSA-N 0 0 458.326 4.937 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](C)C[C@H](C)C2)c1Br ZINC001360850867 1065962422 /nfs/dbraw/zinc/96/24/22/1065962422.db2.gz SBYOHWKBWPMTNF-HEHGZKQESA-N 0 0 453.450 4.753 20 0 JJADRN Cc1sc(C)c(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC[C@@H]2C)c1Br ZINC001360850842 1065962468 /nfs/dbraw/zinc/96/24/68/1065962468.db2.gz RPMCLZJYJJYDON-URKNILKWSA-N 0 0 497.503 4.911 20 0 JJADRN Cc1sc(C)c(Cn2c(COc3ccccc3F)nnc2N(C)[C@@H]2CCOC2)c1Br ZINC001360850834 1065962484 /nfs/dbraw/zinc/96/24/84/1065962484.db2.gz RLROLDXNKOSTNF-OAHLLOKOSA-N 0 0 495.418 4.710 20 0 JJADRN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001360850951 1065962886 /nfs/dbraw/zinc/96/28/86/1065962886.db2.gz WLAZAQXSAAHQDQ-FUHWJXTLSA-N 0 0 482.467 4.926 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)CC1 ZINC001360851228 1065963604 /nfs/dbraw/zinc/96/36/04/1065963604.db2.gz FAZDXVJJWZQENS-UHFFFAOYSA-N 0 0 485.405 4.885 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccncc2Cl)CC1 ZINC001360851345 1065964299 /nfs/dbraw/zinc/96/42/99/1065964299.db2.gz HYVYGNCDPVWTJD-UHFFFAOYSA-N 0 0 480.197 4.969 20 0 JJADRN CC[C@@](O)(CC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 ZINC001440679201 1065964379 /nfs/dbraw/zinc/96/43/79/1065964379.db2.gz FEPHIUCNSOCHHA-AREMUKBSSA-N 0 0 452.595 4.886 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC(F)F)CC1 ZINC001360851399 1065964727 /nfs/dbraw/zinc/96/47/27/1065964727.db2.gz JQUBEZNKVDZIDG-UHFFFAOYSA-N 0 0 478.341 4.654 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccccc3Br)n2CCCCCO)CC1 ZINC001360851441 1065964771 /nfs/dbraw/zinc/96/47/71/1065964771.db2.gz KPFXBTHCFXSRCQ-UHFFFAOYSA-N 0 0 484.236 4.749 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001360851481 1065964790 /nfs/dbraw/zinc/96/47/90/1065964790.db2.gz LPSPWTSTGRHLRK-KRWDZBQOSA-N 0 0 483.357 4.995 20 0 JJADRN Cc1ccccc1-c1nnc(N2CCC(C)=C(Br)C2)n1CCOc1ncccc1F ZINC001360851518 1065964929 /nfs/dbraw/zinc/96/49/29/1065964929.db2.gz MDVHUIOHLUYFHO-UHFFFAOYSA-N 0 0 472.362 4.746 20 0 JJADRN Cc1nc(-c2ccc(NC(=O)c3cc(F)cc(I)c3N)cc2)cs1 ZINC001440680407 1065965000 /nfs/dbraw/zinc/96/50/00/1065965000.db2.gz HCVRCNIDYUBXAB-UHFFFAOYSA-N 0 0 453.280 4.697 20 0 JJADRN CC(=O)Nc1ccc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 ZINC001440683304 1065965909 /nfs/dbraw/zinc/96/59/09/1065965909.db2.gz VRPPJTSETYRSAD-SFHVURJKSA-N 0 0 452.429 4.835 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360852037 1065966965 /nfs/dbraw/zinc/96/69/65/1065966965.db2.gz WBWUYANGSBYYBH-APWZRJJASA-N 0 0 462.436 4.994 20 0 JJADRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=Cc1ccc(O)c(OC)c1)c1ccccc1 ZINC001440700651 1065967334 /nfs/dbraw/zinc/96/73/34/1065967334.db2.gz UJSPCODVLIEESC-RCCKNPSSSA-N 0 0 455.514 4.639 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccccc2)nnc1N1CCC(C)=C(Br)C1 ZINC001360852146 1065967398 /nfs/dbraw/zinc/96/73/98/1065967398.db2.gz YWLLBSKBEIPXOU-UHFFFAOYSA-N 0 0 455.404 4.809 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)=C(Br)C1 ZINC001360852106 1065967569 /nfs/dbraw/zinc/96/75/69/1065967569.db2.gz XZAJVTSNBCGOAX-UHFFFAOYSA-N 0 0 493.356 4.631 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1(F)F ZINC001440703003 1065967914 /nfs/dbraw/zinc/96/79/14/1065967914.db2.gz NKJIQQJEWAMXPW-RTBURBONSA-N 0 0 450.457 4.640 20 0 JJADRN Cc1ccc(I)cc1C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC001360852795 1065967992 /nfs/dbraw/zinc/96/79/92/1065967992.db2.gz PTUXFRFTYDLDPF-UHFFFAOYSA-N 0 0 458.299 4.504 20 0 JJADRN CC1=C(Br)CN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360853064 1065968576 /nfs/dbraw/zinc/96/85/76/1065968576.db2.gz BTRKTIMBYYPAIO-IEBWSBKVSA-N 0 0 491.478 4.787 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCCCCOc1ccccc1 ZINC001440707355 1065968514 /nfs/dbraw/zinc/96/85/14/1065968514.db2.gz BIEPEDNYAWALCE-QHCPKHFHSA-N 0 0 451.567 4.579 20 0 JJADRN Cc1cccc(OCCCNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001440709422 1065968920 /nfs/dbraw/zinc/96/89/20/1065968920.db2.gz JUYOGGDLXSLQEW-UHFFFAOYSA-N 0 0 458.558 4.809 20 0 JJADRN CCOc1ccc([C@@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)OC)c2c[nH]c3ccccc32)cc1OC ZINC001440709730 1065969171 /nfs/dbraw/zinc/96/91/71/1065969171.db2.gz KSSSBGNNCBVZOV-BHDDXSALSA-N 0 0 478.589 4.803 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC3CCCC3)n2C[C@@H]2CSCCS2)CC1 ZINC001360853391 1065969400 /nfs/dbraw/zinc/96/94/00/1065969400.db2.gz CEPXRSCMJVZSSL-MRXNPFEDSA-N 0 0 457.507 4.738 20 0 JJADRN CO[C@H](C(=O)NCCc1ccc(-c2csc(C)n2)s1)c1ccccc1Br ZINC001440710295 1065969632 /nfs/dbraw/zinc/96/96/32/1065969632.db2.gz AUWZPRAEMLPYMV-SFHVURJKSA-N 0 0 451.411 4.989 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001360853431 1065969822 /nfs/dbraw/zinc/96/98/22/1065969822.db2.gz KMOHMVVQTZUOFX-HZPDHXFCSA-N 0 0 459.379 4.877 20 0 JJADRN COc1ccc(Nc2ccc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cc2)c(OC)c1 ZINC001440714507 1065970454 /nfs/dbraw/zinc/97/04/54/1065970454.db2.gz PAVAMJSVKVDOAJ-UHFFFAOYSA-N 0 0 456.546 4.964 20 0 JJADRN CN(CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1 ZINC001440714423 1065970512 /nfs/dbraw/zinc/97/05/12/1065970512.db2.gz NXCIJLIBXRABLM-UHFFFAOYSA-N 0 0 452.352 4.568 20 0 JJADRN COC(=O)c1cc(NC(=O)c2ccccc2NCc2ccccc2Cl)cc(C(=O)OC)c1 ZINC001440722513 1065970994 /nfs/dbraw/zinc/97/09/94/1065970994.db2.gz NGIGWARVMYUOTN-UHFFFAOYSA-N 0 0 452.894 4.778 20 0 JJADRN CC1=C(Br)CN(c2nnc(C3CCCC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001360853914 1065971753 /nfs/dbraw/zinc/97/17/53/1065971753.db2.gz QCXNLLTUMXKCAW-GDLZYMKVSA-N 0 0 477.472 4.742 20 0 JJADRN CC1=C(Br)CN(c2nnc(CC(C)C)n2Cc2cccc3c2OCCCO3)CC1 ZINC001360853991 1065972193 /nfs/dbraw/zinc/97/21/93/1065972193.db2.gz OKMPDPRJACKOLP-UHFFFAOYSA-N 0 0 461.404 4.565 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)Br)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440733335 1065972279 /nfs/dbraw/zinc/97/22/79/1065972279.db2.gz KLASSGPPTAXJPS-UGSOOPFHSA-N 0 0 457.777 4.561 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CCOc2cccc(Cl)c2)CC1 ZINC001360854118 1065972540 /nfs/dbraw/zinc/97/25/40/1065972540.db2.gz PKEYFPCYNCVOTO-UHFFFAOYSA-N 0 0 488.817 4.875 20 0 JJADRN Cc1n[nH]cc1CCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 ZINC001360854160 1065972562 /nfs/dbraw/zinc/97/25/62/1065972562.db2.gz RDXFODLUZHNURY-UHFFFAOYSA-N 0 0 469.431 4.721 20 0 JJADRN Cc1ccc(NC(=O)c2cncc(OC(C)C)c2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001440735060 1065972791 /nfs/dbraw/zinc/97/27/91/1065972791.db2.gz POCACEZWLWVEBZ-UHFFFAOYSA-N 0 0 459.955 4.884 20 0 JJADRN CSc1nc(-c2ccco2)nc(C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001440737110 1065973203 /nfs/dbraw/zinc/97/32/03/1065973203.db2.gz YZZGYNJWQBWKIS-SFHVURJKSA-N 0 0 456.999 4.987 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC(C)=C(Br)C2)c(C)o1 ZINC001360854314 1065973214 /nfs/dbraw/zinc/97/32/14/1065973214.db2.gz XQCRREDFKXLRNN-JOCHJYFZSA-N 0 0 465.436 4.863 20 0 JJADRN CC1=C(Br)CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001360854344 1065973655 /nfs/dbraw/zinc/97/36/55/1065973655.db2.gz UPZPEQFTZKRVIN-OPAMFIHVSA-N 0 0 479.850 4.952 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)N3CCC[C@H]3COc3ccc(Cl)cc3)no2)c1 ZINC001440739494 1065973807 /nfs/dbraw/zinc/97/38/07/1065973807.db2.gz NRXQBSYAZPSSTM-IBGZPJMESA-N 0 0 454.910 4.793 20 0 JJADRN Cc1nc(CCn2c(CC3CCCC3)nnc2N2CCC(C)=C(Br)C2)cs1 ZINC001360854521 1065974113 /nfs/dbraw/zinc/97/41/13/1065974113.db2.gz XZTLVTRYLNCSCO-UHFFFAOYSA-N 0 0 450.450 4.897 20 0 JJADRN CCc1noc(-c2ccc(CCNC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)cc2)n1 ZINC001360856604 1065974954 /nfs/dbraw/zinc/97/49/54/1065974954.db2.gz ZUYIIBDFMRRCNP-UHFFFAOYSA-N 0 0 450.539 4.547 20 0 JJADRN O=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001360856469 1065974967 /nfs/dbraw/zinc/97/49/67/1065974967.db2.gz XJIDPCAVJPIXKD-UHFFFAOYSA-N 0 0 454.420 4.797 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(Cl)s2)CC1 ZINC001360857484 1065975004 /nfs/dbraw/zinc/97/50/04/1065975004.db2.gz ANMRIFLSWLGOGO-UHFFFAOYSA-N 0 0 462.019 4.639 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360857911 1065976418 /nfs/dbraw/zinc/97/64/18/1065976418.db2.gz QPJMPVWCBSAOQC-BHIYHBOVSA-N 0 0 481.479 4.891 20 0 JJADRN Cc1occc1C(=O)NC1CCN(c2nnc(C(C)C)n2Cc2ccccc2OCC(C)C)CC1 ZINC001360857846 1065976546 /nfs/dbraw/zinc/97/65/46/1065976546.db2.gz OLJVNQMCDRCNAQ-UHFFFAOYSA-N 0 0 479.625 4.785 20 0 JJADRN CC1=C(Br)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001360858049 1065976921 /nfs/dbraw/zinc/97/69/21/1065976921.db2.gz WSZTXDNOPKTFBS-PNYFIKQUSA-N 0 0 481.479 4.627 20 0 JJADRN COc1cc(/C=C\C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc(Br)c1O ZINC001440760992 1065977471 /nfs/dbraw/zinc/97/74/71/1065977471.db2.gz ZORYQVIPQALNKY-SREVYHEPSA-N 0 0 453.336 4.974 20 0 JJADRN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC001440762256 1065977509 /nfs/dbraw/zinc/97/75/09/1065977509.db2.gz DVPISOBOGFONNE-UHFFFAOYSA-N 0 0 452.938 4.831 20 0 JJADRN CC[C@]1(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC001440769823 1065978095 /nfs/dbraw/zinc/97/80/95/1065978095.db2.gz PBUFQGZKOBPZSP-QFQXNSOFSA-N 0 0 452.599 4.605 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@@H]1C ZINC001360858587 1065978255 /nfs/dbraw/zinc/97/82/55/1065978255.db2.gz OZSPFIDTCGOJAF-NYVOZVTQSA-N 0 0 479.625 4.991 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCC2(c3ccccc3)CCCCC2)cc1OC ZINC001440774824 1065978460 /nfs/dbraw/zinc/97/84/60/1065978460.db2.gz XURDCULOHRQVNM-UYAOXDASSA-N 0 0 450.579 4.930 20 0 JJADRN CCOCCOCc1cccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)c1C ZINC001360859358 1065978661 /nfs/dbraw/zinc/97/86/61/1065978661.db2.gz MQVHEFWSBCMZQH-UHFFFAOYSA-N 0 0 452.345 4.580 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c2cccs2)c2ccc(C(C)C)cc2)cc1 ZINC001440787125 1065978860 /nfs/dbraw/zinc/97/88/60/1065978860.db2.gz LYYHKSIKRLEDMF-FDDCHVKYSA-N 0 0 456.633 4.753 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c2cccs2)c2ccc(C(C)C)cc2)cc1 ZINC001440787128 1065978872 /nfs/dbraw/zinc/97/88/72/1065978872.db2.gz LYYHKSIKRLEDMF-MBSDFSHPSA-N 0 0 456.633 4.753 20 0 JJADRN CCOc1ccc(CCC2CCN(C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC001440784075 1065978968 /nfs/dbraw/zinc/97/89/68/1065978968.db2.gz OCGRLECPVSKLJK-DEOSSOPVSA-N 0 0 454.998 4.963 20 0 JJADRN Cc1oc(-c2ccccc2)c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C ZINC001440784041 1065978977 /nfs/dbraw/zinc/97/89/77/1065978977.db2.gz MEEZIULXIRRYPD-UHFFFAOYSA-N 0 0 452.576 4.668 20 0 JJADRN CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(OC)c(F)c2)cc1OCC ZINC001440793085 1065979835 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PMPMVFUUXRKEON-UHFFFAOYSA-N 0 0 450.464 4.871 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1(c2ccccc2)CCC1 ZINC001440833074 1065983118 /nfs/dbraw/zinc/98/31/18/1065983118.db2.gz NDMWADSFYNVTCX-UHFFFAOYSA-N 0 0 452.551 4.787 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001440860681 1065983515 /nfs/dbraw/zinc/98/35/15/1065983515.db2.gz AMUQVUUJZMNQAF-ZDUSSCGKSA-N 0 0 457.789 4.750 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1C ZINC001360865249 1065983734 /nfs/dbraw/zinc/98/37/34/1065983734.db2.gz VYYRIEXTOCFVSM-JOCHJYFZSA-N 0 0 498.672 4.787 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCOc2ccc(Cl)cn2)c1C ZINC001360865196 1065983811 /nfs/dbraw/zinc/98/38/11/1065983811.db2.gz ULJPZEOIGNQDHE-UHFFFAOYSA-N 0 0 485.032 4.686 20 0 JJADRN CCCc1ccc([C@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2cccs2)cc1 ZINC001440863377 1065984141 /nfs/dbraw/zinc/98/41/41/1065984141.db2.gz BFOWRNCFIRUYKN-DVECYGJZSA-N 0 0 455.601 4.531 20 0 JJADRN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCC2CCOCC2)c1C ZINC001360865328 1065984245 /nfs/dbraw/zinc/98/42/45/1065984245.db2.gz YWNLIEBTJPGPET-UHFFFAOYSA-N 0 0 455.647 4.765 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CC2(O)CCOCC2)c1C ZINC001360865432 1065984268 /nfs/dbraw/zinc/98/42/68/1065984268.db2.gz BFQCGXONRJOELE-QIJUGHKUSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)c3ccco3)n2CCNC(=O)C(C)C)c1C ZINC001360865504 1065984733 /nfs/dbraw/zinc/98/47/33/1065984733.db2.gz CPXLKXFAHBRXEU-WOJBJXKFSA-N 0 0 453.587 4.598 20 0 JJADRN CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2cccc3cnccc32)c(Cl)cc1Cl ZINC001440865415 1065984812 /nfs/dbraw/zinc/98/48/12/1065984812.db2.gz COPDHEMRKLUDSN-UHFFFAOYSA-N 0 0 452.363 4.728 20 0 JJADRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001440867689 1065985794 /nfs/dbraw/zinc/98/57/94/1065985794.db2.gz UNDOYIVPKAFLKB-KRWDZBQOSA-N 0 0 451.876 4.951 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC001440870583 1065986089 /nfs/dbraw/zinc/98/60/89/1065986089.db2.gz BYKQXCUQUHTIRL-FQEVSTJZSA-N 0 0 451.567 4.735 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)Cc3cc(Cl)ccn3)n2CCCN2CCOC2=O)c1C ZINC001360865848 1065986370 /nfs/dbraw/zinc/98/63/70/1065986370.db2.gz JMJWXQMPXLXPGR-IBGZPJMESA-N 0 0 499.015 4.562 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360866048 1065986958 /nfs/dbraw/zinc/98/69/58/1065986958.db2.gz MCMAXGGPAFFQKK-ZEYPLWLESA-N 0 0 465.646 4.811 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2nccc(C(F)F)n2)c1C ZINC001360866240 1065988233 /nfs/dbraw/zinc/98/82/33/1065988233.db2.gz PIFWEWJYDRYWRM-AWEZNQCLSA-N 0 0 470.446 4.809 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001545936256 1065988224 /nfs/dbraw/zinc/98/82/24/1065988224.db2.gz GDUWPCDOFTVSSR-LJQANCHMSA-N 0 0 465.708 4.514 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)c1nccn1C ZINC001440877126 1065988239 /nfs/dbraw/zinc/98/82/39/1065988239.db2.gz WUQPTEFAFOXEON-QFIPXVFZSA-N 0 0 459.550 4.587 20 0 JJADRN Cc1nccc(NCc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2)n1 ZINC001440877641 1065988319 /nfs/dbraw/zinc/98/83/19/1065988319.db2.gz OQEHQSXBXMDAMB-UHFFFAOYSA-N 0 0 451.530 4.579 20 0 JJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC001440880982 1065988694 /nfs/dbraw/zinc/98/86/94/1065988694.db2.gz JOKLQZTYMLHWKP-GOSISDBHSA-N 0 0 450.379 4.562 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C3CCC3)n2CCCN(C)CC(F)(F)F)c1C ZINC001360866567 1065989003 /nfs/dbraw/zinc/98/90/03/1065989003.db2.gz VRWXLCHEUWAJNY-GOSISDBHSA-N 0 0 453.553 4.908 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001440882749 1065989292 /nfs/dbraw/zinc/98/92/92/1065989292.db2.gz QITYFQUQRGCDMD-DOTOQJQBSA-N 0 0 477.005 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCC(=O)NC(C)C)c1C ZINC001360866656 1065989630 /nfs/dbraw/zinc/98/96/30/1065989630.db2.gz WXHZDOQWQZVXDU-VQTJNVASSA-N 0 0 453.587 4.740 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001440884463 1065989810 /nfs/dbraw/zinc/98/98/10/1065989810.db2.gz WFZOBCWSJIOJDU-UHFFFAOYSA-N 0 0 458.375 4.586 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)c3ccco3)n2CCCN2CCOCC2)c1C ZINC001360866807 1065990275 /nfs/dbraw/zinc/99/02/75/1065990275.db2.gz YYDZSEITFVAFLN-VXKWHMMOSA-N 0 0 467.614 4.548 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890642 1065990392 /nfs/dbraw/zinc/99/03/92/1065990392.db2.gz ATBNYZMMGQHSGH-DENIHFKCSA-N 0 0 456.468 4.815 20 0 JJADRN CCCCSc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1C(F)(F)F ZINC001440887891 1065990437 /nfs/dbraw/zinc/99/04/37/1065990437.db2.gz NOWCNYDHVZXPCD-UHFFFAOYSA-N 0 0 457.562 4.961 20 0 JJADRN COc1ccc([C@@H](CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890643 1065990453 /nfs/dbraw/zinc/99/04/53/1065990453.db2.gz ATBNYZMMGQHSGH-KNQAVFIVSA-N 0 0 456.468 4.815 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2Sc2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC001360867689 1065990721 /nfs/dbraw/zinc/99/07/21/1065990721.db2.gz CXFMJZRJKIKYBM-UHFFFAOYSA-N 0 0 454.573 4.539 20 0 JJADRN C/C(=C/C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)c1ccccc1OC(F)F ZINC001360867691 1065990930 /nfs/dbraw/zinc/99/09/30/1065990930.db2.gz DBFJOUXWVHYPSF-YPKPFQOOSA-N 0 0 452.523 4.715 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2c(C)nn(CC(F)F)c2C)c2c[nH]c3ccccc32)cc1 ZINC001440895164 1065991397 /nfs/dbraw/zinc/99/13/97/1065991397.db2.gz PYERZSRJNCNVOH-FQEVSTJZSA-N 0 0 452.505 4.817 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 ZINC001440897487 1065991479 /nfs/dbraw/zinc/99/14/79/1065991479.db2.gz ILEYQABNLYWVJZ-ACCUITESSA-N 0 0 451.479 4.802 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC2CC(F)(F)C2)c1C ZINC001360868425 1065992247 /nfs/dbraw/zinc/99/22/47/1065992247.db2.gz DWYNNIAQSZENER-ZVDOUQERSA-N 0 0 491.627 4.626 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCC3(C2)OCCO3)c1C ZINC001360868427 1065992291 /nfs/dbraw/zinc/99/22/91/1065992291.db2.gz DXFNSLZTNQPFRX-OALUTQOASA-N 0 0 482.547 4.967 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCOC(C)(C)C)n2CC(=O)NC2CCCCC2)c1C ZINC001360868401 1065992318 /nfs/dbraw/zinc/99/23/18/1065992318.db2.gz DHFONSCZUVYYFD-OAQYLSRUSA-N 0 0 485.673 4.735 20 0 JJADRN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)cc1 ZINC001440900227 1065992459 /nfs/dbraw/zinc/99/24/59/1065992459.db2.gz TWDDZVOGRPUFSH-HNNXBMFYSA-N 0 0 458.490 4.641 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC001440899413 1065992534 /nfs/dbraw/zinc/99/25/34/1065992534.db2.gz ZBOXAPRCASPAEJ-QFIPXVFZSA-N 0 0 452.599 4.590 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360868706 1065993194 /nfs/dbraw/zinc/99/31/94/1065993194.db2.gz AOVMQCIPTCGMOV-RTWAWAEBSA-N 0 0 453.631 4.563 20 0 JJADRN O=C(NC1CCC(c2ccccc2)CC1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC001440910264 1065993249 /nfs/dbraw/zinc/99/32/49/1065993249.db2.gz WHPKUPQCRZNNTM-UHFFFAOYSA-N 0 0 454.617 4.683 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(CC(C)C)C3CCCC3)n2C[C@]2(O)CCOC2)c1C ZINC001360868678 1065993480 /nfs/dbraw/zinc/99/34/80/1065993480.db2.gz ACYQIBSJYOYHHE-QFQXNSOFSA-N 0 0 456.631 4.591 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[C@@H]2CCCCO2)c1C ZINC001360868867 1065994901 /nfs/dbraw/zinc/99/49/01/1065994901.db2.gz LBEFMQGKVCALCE-VJBWXMMDSA-N 0 0 456.631 4.857 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCSC(F)(F)F)c1C ZINC001360868952 1065995048 /nfs/dbraw/zinc/99/50/48/1065995048.db2.gz CVIATFVLMYWILD-BFYDXBDKSA-N 0 0 458.550 4.902 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)CCC(C)C)c1C ZINC001360868947 1065995071 /nfs/dbraw/zinc/99/50/71/1065995071.db2.gz CUKYZOJHAMOBPL-RVNGOIKDSA-N 0 0 458.647 4.836 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@](C)(O)CCC(C)C)c1C ZINC001360868946 1065995080 /nfs/dbraw/zinc/99/50/80/1065995080.db2.gz CUKYZOJHAMOBPL-RRTYAWIHSA-N 0 0 458.647 4.836 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2C[C@H]2CCCO[C@H]2C(C)C)c1C ZINC001360869027 1065995486 /nfs/dbraw/zinc/99/54/86/1065995486.db2.gz LTLUQYDMDIFEKQ-OYRHQHFDSA-N 0 0 480.657 4.819 20 0 JJADRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001440926702 1065995481 /nfs/dbraw/zinc/99/54/81/1065995481.db2.gz AQCYQQOCLOEFDN-UHFFFAOYSA-N 0 0 451.567 4.784 20 0 JJADRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001440937556 1065995789 /nfs/dbraw/zinc/99/57/89/1065995789.db2.gz HVXIVMOCYPSRPG-UHFFFAOYSA-N 0 0 455.383 4.663 20 0 JJADRN CCC(C)(C)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001440942885 1065995979 /nfs/dbraw/zinc/99/59/79/1065995979.db2.gz XAIPFIKPACKPCI-UHFFFAOYSA-N 0 0 456.530 4.904 20 0 JJADRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1nc(CC)cs1 ZINC001440954055 1065996778 /nfs/dbraw/zinc/99/67/78/1065996778.db2.gz NALLMJXUUKBNJQ-UHFFFAOYSA-N 0 0 453.564 4.936 20 0 JJADRN O=C(CN(Cc1ccco1)C(=O)/C=C/C=C(Cl)Cl)Nc1ccccc1Br ZINC001440958689 1065997266 /nfs/dbraw/zinc/99/72/66/1065997266.db2.gz APMKCSLMYJFMHH-YCRREMRBSA-N 0 0 458.139 4.885 20 0 JJADRN Cc1c(F)cccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001440966055 1065997334 /nfs/dbraw/zinc/99/73/34/1065997334.db2.gz GMCNYBVNQYXHBW-RQZCQDPDSA-N 0 0 453.322 4.907 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N(CCC(C)C)C3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1C ZINC001360869415 1065997491 /nfs/dbraw/zinc/99/74/91/1065997491.db2.gz HHJIJFAJOZMTLK-VXKWHMMOSA-N 0 0 488.698 4.875 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1C ZINC001360869447 1065997917 /nfs/dbraw/zinc/99/79/17/1065997917.db2.gz HNIGQVPUHRPYHU-ADYITMSISA-N 0 0 497.684 4.576 20 0 JJADRN COc1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1NC(C)=O ZINC001440972656 1065998196 /nfs/dbraw/zinc/99/81/96/1065998196.db2.gz ZUAMVTIJVGMTGO-UHFFFAOYSA-N 0 0 450.278 4.780 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1ccc(F)cc1F ZINC001440972124 1065998219 /nfs/dbraw/zinc/99/82/19/1065998219.db2.gz UYEVURMTWOCENA-APSNUPSMSA-N 0 0 457.285 4.738 20 0 JJADRN CCOc1cc(CN(C)C(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)ccc1OC(F)F ZINC001440977426 1065998819 /nfs/dbraw/zinc/99/88/19/1065998819.db2.gz QYOYGWHJMYOYGU-UHFFFAOYSA-N 0 0 458.461 4.644 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)CCOCC1 ZINC001545937199 1065999416 /nfs/dbraw/zinc/99/94/16/1065999416.db2.gz GOSQVTIUKLQMIS-GGAORHGYSA-N 0 0 458.643 4.958 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[C@H]43)n2CCCNC(=O)OC(C)(C)C)c1C ZINC001360869803 1065999693 /nfs/dbraw/zinc/99/96/93/1065999693.db2.gz KGJZKUVZKUOGSW-NJDAHSKKSA-N 0 0 469.630 4.938 20 0 JJADRN Cc1noc(C)c1CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001360869906 1066000357 /nfs/dbraw/zinc/00/03/57/1066000357.db2.gz RYYNGJKCRCZMDH-NRFANRHFSA-N 0 0 497.640 4.718 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cs1 ZINC001441013618 1066000474 /nfs/dbraw/zinc/00/04/74/1066000474.db2.gz LUSAVJABWZJYCY-OAQYLSRUSA-N 0 0 451.592 4.811 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC=C(C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001360870032 1066000851 /nfs/dbraw/zinc/00/08/51/1066000851.db2.gz MGUDZMWWMQQERD-GOSISDBHSA-N 0 0 493.574 4.896 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)C[C@H](C)c3ccccc3C(F)(F)F)CC2)c1 ZINC001441017249 1066000895 /nfs/dbraw/zinc/00/08/95/1066000895.db2.gz HVIISCLOLRPPBZ-KRWDZBQOSA-N 0 0 450.501 4.561 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H]2CCSC2)c1C ZINC001360870226 1066001577 /nfs/dbraw/zinc/00/15/77/1066001577.db2.gz NQWSEPYLWPWAMP-ZCDKGFTFSA-N 0 0 484.588 4.944 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CCSC2)c1C ZINC001360870225 1066001736 /nfs/dbraw/zinc/00/17/36/1066001736.db2.gz NQWSEPYLWPWAMP-NFBUACBFSA-N 0 0 484.588 4.944 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1nc(C2CCCC2)cs1)c1ccc(Br)cc1 ZINC001441027376 1066001763 /nfs/dbraw/zinc/00/17/63/1066001763.db2.gz DYQXHDMTPOOUEO-MRXNPFEDSA-N 0 0 451.386 4.526 20 0 JJADRN COc1cc(CN(C)C(=O)C2(NC(=O)OC(C)(C)C)CCC2)ccc1OCc1ccccc1 ZINC001441025341 1066001828 /nfs/dbraw/zinc/00/18/28/1066001828.db2.gz ANSRZRURPKHZCM-UHFFFAOYSA-N 0 0 454.567 4.680 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCCCCC[C@@H]43)n2CCNC(=O)C(C)C)c1C ZINC001360870421 1066002087 /nfs/dbraw/zinc/00/20/87/1066002087.db2.gz PFUDCVQIPKLVFL-VJBWXMMDSA-N 0 0 467.658 4.966 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC001441033326 1066002130 /nfs/dbraw/zinc/00/21/30/1066002130.db2.gz YPSANDAXXIYDSO-HXUWFJFHSA-N 0 0 451.489 4.789 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2NCc2ccccc2Cl)cc1 ZINC001441029695 1066002194 /nfs/dbraw/zinc/00/21/94/1066002194.db2.gz STHWQWWXZLBEDH-UHFFFAOYSA-N 0 0 457.983 4.893 20 0 JJADRN O=C(NCc1ccc2c(c1)OCCO2)c1cc(Br)ccc1OCc1ccccc1 ZINC001441035904 1066002514 /nfs/dbraw/zinc/00/25/14/1066002514.db2.gz FERWYMUAFOBLMO-UHFFFAOYSA-N 0 0 454.320 4.729 20 0 JJADRN C[C@H](C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccc1 ZINC001441034950 1066002583 /nfs/dbraw/zinc/00/25/83/1066002583.db2.gz CTHXYTPXLXWLSP-QGZVFWFLSA-N 0 0 458.425 4.885 20 0 JJADRN Cc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)CC2)c1 ZINC001441039428 1066002646 /nfs/dbraw/zinc/00/26/46/1066002646.db2.gz FMCJOXDBZQMOBP-QHCPKHFHSA-N 0 0 456.586 4.728 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2CCOC[C@@H]2C)c1C ZINC001360870539 1066002951 /nfs/dbraw/zinc/00/29/51/1066002951.db2.gz YBFAOAHJTALMAK-WPYKKVEZSA-N 0 0 486.657 4.543 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)N2CCOCC2)c1C ZINC001360870687 1066003367 /nfs/dbraw/zinc/00/33/67/1066003367.db2.gz PVGKYRLRIJRLRY-JTHBVZDNSA-N 0 0 481.641 4.764 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1Br)Nc1ccccc1 ZINC001441046395 1066003435 /nfs/dbraw/zinc/00/34/35/1066003435.db2.gz CGGSIBUABIXYCG-AWEZNQCLSA-N 0 0 452.299 4.544 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001441045336 1066003501 /nfs/dbraw/zinc/00/35/01/1066003501.db2.gz QUHVGAUQLGIWQH-IBGZPJMESA-N 0 0 450.457 4.591 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001441046941 1066003868 /nfs/dbraw/zinc/00/38/68/1066003868.db2.gz WPRPPPKGFJDRQC-GOSISDBHSA-N 0 0 456.505 4.971 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cc(OCc2ccccc2)ccc1O)Nc1ccccc1 ZINC001441049971 1066003896 /nfs/dbraw/zinc/00/38/96/1066003896.db2.gz LDVIBBIYFFENGN-JOCHJYFZSA-N 0 0 459.546 4.788 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001441053389 1066004298 /nfs/dbraw/zinc/00/42/98/1066004298.db2.gz WRWHNBGEHUEIQM-NRFANRHFSA-N 0 0 451.571 4.935 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001441052532 1066004419 /nfs/dbraw/zinc/00/44/19/1066004419.db2.gz SIDJCEVDJSLRQW-IBGZPJMESA-N 0 0 451.958 4.651 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H]2NC(=O)CC2(C)C)c1C ZINC001360871015 1066004649 /nfs/dbraw/zinc/00/46/49/1066004649.db2.gz SOWGBJNVQUDMNE-ZLLBNUPZSA-N 0 0 453.631 4.574 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[C@H]43)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871110 1066004698 /nfs/dbraw/zinc/00/46/98/1066004698.db2.gz UJEBINMMTCDWTN-HSALFYBXSA-N 0 0 455.603 4.548 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCNC(=O)OC(C)(C)C)c1C ZINC001360871081 1066004800 /nfs/dbraw/zinc/00/48/00/1066004800.db2.gz TZMKLFKEMYGNDS-UYAOXDASSA-N 0 0 487.645 4.563 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC001441055903 1066004932 /nfs/dbraw/zinc/00/49/32/1066004932.db2.gz RRWMBDIIXRPQTQ-UHFFFAOYSA-N 0 0 459.424 4.765 20 0 JJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Cc1cn2cc(C)sc2n1 ZINC001441068428 1066005694 /nfs/dbraw/zinc/00/56/94/1066005694.db2.gz NXMUHXJOVIHYQC-UHFFFAOYSA-N 0 0 455.605 4.945 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1c(C)c(C)sc1Br ZINC001360872757 1066006279 /nfs/dbraw/zinc/00/62/79/1066006279.db2.gz ZYXXLOSLBULMJY-OAHLLOKOSA-N 0 0 451.386 4.688 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545938197 1066006497 /nfs/dbraw/zinc/00/64/97/1066006497.db2.gz MKXVJIFYAITDPF-NRFANRHFSA-N 0 0 491.652 4.784 20 0 JJADRN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC001441083212 1066006527 /nfs/dbraw/zinc/00/65/27/1066006527.db2.gz UUAAYEOSEKWMPK-YCDWJFRUSA-N 0 0 474.388 4.585 20 0 JJADRN Cc1nc(-c2ccc([C@@H](C)NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cs1 ZINC001441091705 1066007087 /nfs/dbraw/zinc/00/70/87/1066007087.db2.gz QPEXZIDROZONQU-MRXNPFEDSA-N 0 0 459.612 4.712 20 0 JJADRN CCCN(Cc1ccc(F)cc1F)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC001441099660 1066007444 /nfs/dbraw/zinc/00/74/44/1066007444.db2.gz MLDNJVPQPSDTCS-DEOSSOPVSA-N 0 0 452.501 4.883 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001441097836 1066007515 /nfs/dbraw/zinc/00/75/15/1066007515.db2.gz IXZQFFMMZIGPBJ-UHFFFAOYSA-N 0 0 458.484 4.550 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC2(O)CCC2)c1C ZINC001360872928 1066007700 /nfs/dbraw/zinc/00/77/00/1066007700.db2.gz CPNYFLYBFJLAJK-FQEVSTJZSA-N 0 0 456.631 4.734 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOCCC(C)C)c1C ZINC001360873145 1066008014 /nfs/dbraw/zinc/00/80/14/1066008014.db2.gz CLBSTYWBUHHOQB-HSZRJFAPSA-N 0 0 497.684 4.546 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](c4ccco4)C3)n2CCC(=O)NC(C)C)c1C ZINC001360873071 1066008064 /nfs/dbraw/zinc/00/80/64/1066008064.db2.gz DYDFIJPWOMZSCU-NHCUHLMSSA-N 0 0 465.598 4.537 20 0 JJADRN CCn1ncc(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1C1CC1 ZINC001441110823 1066008423 /nfs/dbraw/zinc/00/84/23/1066008423.db2.gz QGHRBJOQRZHNMQ-UHFFFAOYSA-N 0 0 453.970 4.648 20 0 JJADRN CC(C)(c1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1)c1ccccc1 ZINC001441119517 1066008775 /nfs/dbraw/zinc/00/87/75/1066008775.db2.gz YSYJJRJIYQWUIK-NRFANRHFSA-N 0 0 456.571 4.974 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C)C3)n2CCCNC(=O)C2CCC2)c1C ZINC001360873366 1066008848 /nfs/dbraw/zinc/00/88/48/1066008848.db2.gz DKJOACKFIKODLP-GHTZIAJQSA-N 0 0 453.631 4.578 20 0 JJADRN COCCN(Cc1ccc(C)cc1C)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441117798 1066008940 /nfs/dbraw/zinc/00/89/40/1066008940.db2.gz TWPCXUKERDJQAT-XMMPIXPASA-N 0 0 454.611 4.805 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCCC(C)C)c1C ZINC001360873464 1066008878 /nfs/dbraw/zinc/00/88/78/1066008878.db2.gz HOWLSXZYJNBKDP-JOCHJYFZSA-N 0 0 482.673 4.855 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CC2CCS(=O)(=O)CC2)c1C ZINC001360873446 1066008901 /nfs/dbraw/zinc/00/89/01/1066008901.db2.gz FLGJVOVMWITMEA-GMAHTHKFSA-N 0 0 488.698 4.732 20 0 JJADRN CC(C)(c1nnc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)s1)c1ccccc1 ZINC001441119521 1066009146 /nfs/dbraw/zinc/00/91/46/1066009146.db2.gz YSYJJRJIYQWUIK-OAQYLSRUSA-N 0 0 456.571 4.974 20 0 JJADRN CCCN(Cc1c(F)cccc1Cl)C(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC001441123229 1066009237 /nfs/dbraw/zinc/00/92/37/1066009237.db2.gz YUFABFXCJFJZLO-UHFFFAOYSA-N 0 0 454.995 4.593 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1 ZINC001441119595 1066009248 /nfs/dbraw/zinc/00/92/48/1066009248.db2.gz ZLKAWODDRLFWLO-KRWDZBQOSA-N 0 0 456.612 4.840 20 0 JJADRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N(Cc3cc(Br)ccc3F)C3CC3)C2=O)c1 ZINC001441131311 1066009759 /nfs/dbraw/zinc/00/97/59/1066009759.db2.gz OGNPSKUGVRWLGK-HXUWFJFHSA-N 0 0 459.359 4.749 20 0 JJADRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001441131558 1066010029 /nfs/dbraw/zinc/01/00/29/1066010029.db2.gz QBTYBVPVSSIJLY-UHFFFAOYSA-N 0 0 457.347 4.528 20 0 JJADRN O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001441131912 1066010121 /nfs/dbraw/zinc/01/01/21/1066010121.db2.gz KIONDSJMYMWCAR-JOCHJYFZSA-N 0 0 457.357 4.946 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@]2(O)CCSC2)c1C ZINC001360873714 1066010281 /nfs/dbraw/zinc/01/02/81/1066010281.db2.gz JVPMBDNXHJTDFC-NNPDTBDGSA-N 0 0 458.672 4.775 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CCN2CCOCC2(C)C)c1C ZINC001360873824 1066010638 /nfs/dbraw/zinc/01/06/38/1066010638.db2.gz IICWMCGKQQZNPX-HSZRJFAPSA-N 0 0 469.674 4.916 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CCSC2)c1C ZINC001360873882 1066010798 /nfs/dbraw/zinc/01/07/98/1066010798.db2.gz KXUFJJRODJTIPQ-AOMKIAJQSA-N 0 0 483.465 4.802 20 0 JJADRN O=C(CCc1cc(Cl)ccc1Br)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001441171895 1066011073 /nfs/dbraw/zinc/01/10/73/1066011073.db2.gz FSLUDOGIHOAUCW-UHFFFAOYSA-N 0 0 455.824 4.676 20 0 JJADRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC001441158427 1066011106 /nfs/dbraw/zinc/01/11/06/1066011106.db2.gz ZUNJZFVNBLENDQ-PMXSJFBMSA-N 0 0 458.599 4.811 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-n3ccnc3)cs2)CC1 ZINC001441180292 1066012059 /nfs/dbraw/zinc/01/20/59/1066012059.db2.gz UWJNFMNFVZEJGR-UHFFFAOYSA-N 0 0 453.568 4.696 20 0 JJADRN C[C@@H](Cn1cccn1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441177577 1066012107 /nfs/dbraw/zinc/01/21/07/1066012107.db2.gz PKBJFVCDECAVGP-INIZCTEOSA-N 0 0 451.368 4.931 20 0 JJADRN COc1cc(F)c(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(Cl)c1 ZINC001441178610 1066012205 /nfs/dbraw/zinc/01/22/05/1066012205.db2.gz COYKXEJGQBAWSK-NSHDSACASA-N 0 0 456.827 4.569 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360874198 1066012281 /nfs/dbraw/zinc/01/22/81/1066012281.db2.gz KODDCXFEQCTFTC-PZJWPPBQSA-N 0 0 453.631 4.815 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCCC(C)(C)C)c1C ZINC001360874204 1066012315 /nfs/dbraw/zinc/01/23/15/1066012315.db2.gz KTIGEIHCOLFKRD-GIVPXCGWSA-N 0 0 456.587 4.975 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C)n2CC(=O)N(C)C2CCCCC2)c1C ZINC001360874199 1066012351 /nfs/dbraw/zinc/01/23/51/1066012351.db2.gz KODDCXFEQCTFTC-TZIWHRDSSA-N 0 0 453.631 4.815 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC001441183477 1066012524 /nfs/dbraw/zinc/01/25/24/1066012524.db2.gz YQPIGEDTTQVOPC-KRWDZBQOSA-N 0 0 456.530 4.519 20 0 JJADRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1sc2cccc(Cl)c2c1Cl ZINC001441183798 1066012637 /nfs/dbraw/zinc/01/26/37/1066012637.db2.gz AJLAAFIGELYWJF-UHFFFAOYSA-N 0 0 452.382 4.899 20 0 JJADRN C[C@](O)(C(=O)NCc1ccc(CN2CCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 ZINC001441186803 1066013009 /nfs/dbraw/zinc/01/30/09/1066013009.db2.gz LWUGXIMCCNWQGK-RUZDIDTESA-N 0 0 454.492 4.792 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCCc2cnn(C)n2)c1C ZINC001360874364 1066013066 /nfs/dbraw/zinc/01/30/66/1066013066.db2.gz LUBVZIJJLLDUJH-VXKWHMMOSA-N 0 0 465.646 4.669 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c1)C(=O)OC(C)(C)C ZINC001441185342 1066013136 /nfs/dbraw/zinc/01/31/36/1066013136.db2.gz GRJWOWXMICJZIL-LJQANCHMSA-N 0 0 453.583 4.520 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC2(CC(C)C)CC2)c1C ZINC001360874296 1066013110 /nfs/dbraw/zinc/01/31/10/1066013110.db2.gz NUVJTNINRCONCE-NRFANRHFSA-N 0 0 467.658 4.953 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1C ZINC001360874302 1066013203 /nfs/dbraw/zinc/01/32/03/1066013203.db2.gz OAHNMGVCNAJXSJ-JXFKEZNVSA-N 0 0 492.451 4.849 20 0 JJADRN CC(C)N(CCC(=O)NCc1cc2cccnc2cc1Br)C(=O)OC(C)(C)C ZINC001545939057 1066013627 /nfs/dbraw/zinc/01/36/27/1066013627.db2.gz OQHRJITVYQBEDK-UHFFFAOYSA-N 0 0 450.377 4.649 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1)C(=O)OC(C)(C)C ZINC001441192563 1066014035 /nfs/dbraw/zinc/01/40/35/1066014035.db2.gz ZFRCUWBXZKFRAZ-SFHVURJKSA-N 0 0 455.530 4.574 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1C ZINC001360874515 1066014019 /nfs/dbraw/zinc/01/40/19/1066014019.db2.gz QHQGPAGUWQFBHF-LRXVAGHRSA-N 0 0 463.626 4.573 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]3C(C)C)n2C[C@H]2CCCCS2(=O)=O)c1C ZINC001360874433 1066014041 /nfs/dbraw/zinc/01/40/41/1066014041.db2.gz MUMMPOZINPZWIB-VSKRKVRLSA-N 0 0 474.671 4.627 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](CC(C)C)C3)n2CC2(C(N)=O)CCCC2)c1C ZINC001360874581 1066014363 /nfs/dbraw/zinc/01/43/63/1066014363.db2.gz RNLUVODZLHUKAO-VXKWHMMOSA-N 0 0 467.658 4.953 20 0 JJADRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1cc2cccnc2cc1Br ZINC001545939319 1066015820 /nfs/dbraw/zinc/01/58/20/1066015820.db2.gz XYDZYSGTMVRQTB-UHFFFAOYSA-N 0 0 453.258 4.797 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN(C)CC(F)(F)F)c1C ZINC001360874979 1066015974 /nfs/dbraw/zinc/01/59/74/1066015974.db2.gz VSGFKVGSELRPEP-YTQUADARSA-N 0 0 453.553 4.764 20 0 JJADRN COc1ccc(CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c(OC)c1OC ZINC001441219273 1066016149 /nfs/dbraw/zinc/01/61/49/1066016149.db2.gz IIKMIRPPFJDZOO-UHFFFAOYSA-N 0 0 452.454 4.785 20 0 JJADRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 ZINC001441227279 1066016774 /nfs/dbraw/zinc/01/67/74/1066016774.db2.gz MUTFEZDYHCNITL-YQRKEEQESA-N 0 0 454.998 4.925 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)C)CC3)n2C[C@](C)(O)C2CC2)c1C ZINC001360875162 1066016914 /nfs/dbraw/zinc/01/69/14/1066016914.db2.gz XGOUDGPKYWRPIU-IBVKSMDESA-N 0 0 456.631 4.590 20 0 JJADRN CCCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)c1 ZINC001441233347 1066017261 /nfs/dbraw/zinc/01/72/61/1066017261.db2.gz CDLWRAQGNIMSHF-UHFFFAOYSA-N 0 0 454.548 4.927 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1Cc1ccc(C)cc1F ZINC001545939517 1066017325 /nfs/dbraw/zinc/01/73/25/1066017325.db2.gz DBEDLGNCWABATN-UHFFFAOYSA-N 0 0 461.651 4.804 20 0 JJADRN O=C(Cc1c[nH]c2cnc(Cl)cc12)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441234490 1066017347 /nfs/dbraw/zinc/01/73/47/1066017347.db2.gz CFXUUWZLCFTVMT-QGZVFWFLSA-N 0 0 451.741 4.695 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CF)c1C ZINC001360875388 1066017904 /nfs/dbraw/zinc/01/79/04/1066017904.db2.gz YXBLFKLCENZNBL-IVAOSVALSA-N 0 0 487.620 4.916 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCCC3(C)C)n2CCCOC[C@H]2CCOC2)c1C ZINC001360875543 1066018315 /nfs/dbraw/zinc/01/83/15/1066018315.db2.gz VGDQRZRQAZHTKV-FGZHOGPDSA-N 0 0 456.631 4.857 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)ccc1OC(C)C ZINC001441240880 1066018440 /nfs/dbraw/zinc/01/84/40/1066018440.db2.gz JNIKJWGTWYEVDR-ZDUSSCGKSA-N 0 0 459.340 4.990 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001545939634 1066018618 /nfs/dbraw/zinc/01/86/18/1066018618.db2.gz HCRAIPUIPYJFJM-NRFANRHFSA-N 0 0 498.741 4.978 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]3C3CCC3)n2CCCC(=O)N(C)C)c1C ZINC001360875749 1066019073 /nfs/dbraw/zinc/01/90/73/1066019073.db2.gz YFJNREHDUHFJLK-UNMCSNQZSA-N 0 0 453.631 4.672 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2CCCCC2)c1C ZINC001360875713 1066019156 /nfs/dbraw/zinc/01/91/56/1066019156.db2.gz XOHFOEZUFYWZMB-UNMCSNQZSA-N 0 0 453.631 4.707 20 0 JJADRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC001360876463 1066020500 /nfs/dbraw/zinc/02/05/00/1066020500.db2.gz RWJKUUHCBCZDCF-JQFCIGGWSA-N 0 0 453.530 4.729 20 0 JJADRN CC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)c1nc(C(F)(F)F)cs1 ZINC001360876592 1066020583 /nfs/dbraw/zinc/02/05/83/1066020583.db2.gz WAIBQBMOTSDQMT-BIENJYKASA-N 0 0 480.512 4.701 20 0 JJADRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC001441258026 1066021869 /nfs/dbraw/zinc/02/18/69/1066021869.db2.gz ZARBLLUBQZVUHH-UHFFFAOYSA-N 0 0 457.452 4.575 20 0 JJADRN COc1cc(NC(=O)Cc2nc(C3CC3)cs2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441281966 1066022376 /nfs/dbraw/zinc/02/23/76/1066022376.db2.gz DSNWQGLJNCJPDL-GJZGRUSLSA-N 0 0 457.596 4.622 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C)CC2)c1C ZINC001360877156 1066022631 /nfs/dbraw/zinc/02/26/31/1066022631.db2.gz IWKATQQFTYFMER-SFHVURJKSA-N 0 0 451.537 4.519 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCSc3c4ccccc4[nH]c3C2)n1CC(C)(C)SC ZINC001545939917 1066023343 /nfs/dbraw/zinc/02/33/43/1066023343.db2.gz NRUQPJCPUDBTBQ-UHFFFAOYSA-N 0 0 486.711 4.932 20 0 JJADRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001441302538 1066023707 /nfs/dbraw/zinc/02/37/07/1066023707.db2.gz AHHPBWJRIXMKNG-MRXNPFEDSA-N 0 0 453.410 4.844 20 0 JJADRN CCOC(=O)COc1cccc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1 ZINC001441301898 1066023888 /nfs/dbraw/zinc/02/38/88/1066023888.db2.gz ZHPZLZBEHCVZIR-UHFFFAOYSA-N 0 0 458.923 4.848 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3csc4cc(C)ccc34)cc2)CC1 ZINC001360877742 1066023927 /nfs/dbraw/zinc/02/39/27/1066023927.db2.gz JRYCIBILRQCLMR-UHFFFAOYSA-N 0 0 450.560 4.877 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC001441312869 1066024870 /nfs/dbraw/zinc/02/48/70/1066024870.db2.gz AQOKOYQRGNZMAC-HLIPFELVSA-N 0 0 468.013 4.816 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1CCc1ccccc1C(F)(F)F ZINC001545940098 1066025672 /nfs/dbraw/zinc/02/56/72/1066025672.db2.gz RSGUBAJVLXVGIZ-GOSISDBHSA-N 0 0 483.604 4.790 20 0 JJADRN NC(=O)C1CCN(c2cccc(NC(=O)c3cc4cc(Br)ccc4s3)c2)CC1 ZINC001360878508 1066025976 /nfs/dbraw/zinc/02/59/76/1066025976.db2.gz YFAOVAXLZJOQQC-UHFFFAOYSA-N 0 0 458.381 4.618 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1Br ZINC001441314817 1066026239 /nfs/dbraw/zinc/02/62/39/1066026239.db2.gz SQCXRMUJWITNPL-CQSZACIVSA-N 0 0 454.320 4.885 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC001441316790 1066026249 /nfs/dbraw/zinc/02/62/49/1066026249.db2.gz VYAIZUIEFAJEQY-UHFFFAOYSA-N 0 0 454.523 4.853 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCN([C@@H](C)c4ccsc4)CC3)n2CC(C)(C)O)c1C ZINC001360878492 1066026278 /nfs/dbraw/zinc/02/62/78/1066026278.db2.gz VSXXTVOKBLARQP-SFTDATJTSA-N 0 0 483.682 4.751 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCCSC2)c1C ZINC001360878496 1066026603 /nfs/dbraw/zinc/02/66/03/1066026603.db2.gz VTPXXMVVZRHPPD-UXHICEINSA-N 0 0 479.641 4.565 20 0 JJADRN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2NCC(F)(F)F)cc1Cl ZINC001441319694 1066027468 /nfs/dbraw/zinc/02/74/68/1066027468.db2.gz JUBSVDVDMACTBM-UHFFFAOYSA-N 0 0 457.880 4.814 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCS[C@@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360878942 1066027748 /nfs/dbraw/zinc/02/77/48/1066027748.db2.gz CQMSHEYJOQXXEF-FPOVZHCZSA-N 0 0 485.698 4.625 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CCCC(F)(F)F)c1C ZINC001360878979 1066028071 /nfs/dbraw/zinc/02/80/71/1066028071.db2.gz DHTIPVYIEJJFKJ-GHTZIAJQSA-N 0 0 492.546 4.689 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CCCC(F)(F)F)c1C ZINC001360878981 1066028231 /nfs/dbraw/zinc/02/82/31/1066028231.db2.gz DHTIPVYIEJJFKJ-RXVVDRJESA-N 0 0 492.546 4.689 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@H](C)C3)n2CC2(C(=O)N(C)C)CCCC2)c1C ZINC001360878944 1066028258 /nfs/dbraw/zinc/02/82/58/1066028258.db2.gz CQMSHEYJOQXXEF-TZIWHRDSSA-N 0 0 485.698 4.625 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCCC(F)(F)F)c1C ZINC001360879144 1066029085 /nfs/dbraw/zinc/02/90/85/1066029085.db2.gz GZWJAWJFBLFDMD-MSYCTHLASA-N 0 0 482.547 4.762 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2Cc2ncccc2N(C)C)c1C ZINC001360879137 1066029163 /nfs/dbraw/zinc/02/91/63/1066029163.db2.gz GXWWXCDVCAGENU-RTWAWAEBSA-N 0 0 478.641 4.548 20 0 JJADRN CNC(=O)COc1cccc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)c1 ZINC001441337656 1066029907 /nfs/dbraw/zinc/02/99/07/1066029907.db2.gz URLKWJNAZDDRRB-KRWDZBQOSA-N 0 0 451.954 4.819 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2C[C@H](C)c2nccs2)c1C ZINC001360879408 1066030302 /nfs/dbraw/zinc/03/03/02/1066030302.db2.gz KRROWGFIROWIMP-PKOBYXMFSA-N 0 0 455.628 4.910 20 0 JJADRN CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001441339073 1066030431 /nfs/dbraw/zinc/03/04/31/1066030431.db2.gz GNMVTQDQWQNZQT-APPDUMDISA-N 0 0 458.139 4.620 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCOc2ncccc2F)c1C ZINC001360879560 1066031218 /nfs/dbraw/zinc/03/12/18/1066031218.db2.gz MNJOLWNVQOMZQD-ZCNNSNEGSA-N 0 0 485.629 4.978 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)c1C ZINC001360879715 1066031336 /nfs/dbraw/zinc/03/13/36/1066031336.db2.gz OXIOPGSEUYXAFA-PZJWPPBQSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC[C@H]3C)n2Cc2ccc(OC(C)(C)C)nc2)c1C ZINC001360879731 1066031522 /nfs/dbraw/zinc/03/15/22/1066031522.db2.gz PGAVBMOEVDGHSX-CTNGQTDRSA-N 0 0 479.625 4.881 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C)C3)n2CCCCNC(=O)OC(C)(C)C)c1C ZINC001360879716 1066031558 /nfs/dbraw/zinc/03/15/58/1066031558.db2.gz OXIOPGSEUYXAFA-TZIWHRDSSA-N 0 0 487.645 4.565 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@H](C)[C@@H](O)C2)sc1C ZINC001360879907 1066031635 /nfs/dbraw/zinc/03/16/35/1066031635.db2.gz RRTKPFKHTXNSFQ-BSIFCXSSSA-N 0 0 469.655 4.558 20 0 JJADRN Cc1ccc(SCCNC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)cc1 ZINC001441348827 1066031607 /nfs/dbraw/zinc/03/16/07/1066031607.db2.gz BDTGNCRYVANTNK-UHFFFAOYSA-N 0 0 452.667 4.580 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCc2nccs2)c1C ZINC001360880091 1066032361 /nfs/dbraw/zinc/03/23/61/1066032361.db2.gz VXFQSOAVWPEHJA-PZJWPPBQSA-N 0 0 455.628 4.595 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[C@H]2C[C@H](F)C2)c1C ZINC001360880304 1066032689 /nfs/dbraw/zinc/03/26/89/1066032689.db2.gz ZDAQTSXTHRFLNH-MLCQCVOFSA-N 0 0 474.621 4.803 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C)=C(C)C2)n1 ZINC001360880977 1066033606 /nfs/dbraw/zinc/03/36/06/1066033606.db2.gz FORJXECSQVJMTC-KRWDZBQOSA-N 0 0 485.057 4.977 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)CCC(C)C)c1C ZINC001360880769 1066033787 /nfs/dbraw/zinc/03/37/87/1066033787.db2.gz CUKYZOJHAMOBPL-PPHVANOWSA-N 0 0 458.647 4.836 20 0 JJADRN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2ccn(C)n2)c1C ZINC001360881255 1066034053 /nfs/dbraw/zinc/03/40/53/1066034053.db2.gz JOQAMXPBSAEHJL-SCTDSRPQSA-N 0 0 458.557 4.544 20 0 JJADRN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2Cc2ccn(C)n2)c1C ZINC001360881256 1066034166 /nfs/dbraw/zinc/03/41/66/1066034166.db2.gz JOQAMXPBSAEHJL-ZIFCJYIRSA-N 0 0 458.557 4.544 20 0 JJADRN Cc1c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc(CNC(=O)OC(C)(C)C)n1C ZINC001545940787 1066034258 /nfs/dbraw/zinc/03/42/58/1066034258.db2.gz PFQNWCILGYAEMU-UHFFFAOYSA-N 0 0 451.571 4.721 20 0 JJADRN CN(C)c1ccc(N2CCC(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC001360881338 1066034440 /nfs/dbraw/zinc/03/44/40/1066034440.db2.gz QXCDNKOEDNMWQJ-UHFFFAOYSA-N 0 0 455.027 4.857 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1)c1ccc(F)cc1F ZINC001441361424 1066034590 /nfs/dbraw/zinc/03/45/90/1066034590.db2.gz ZTNAFTNGPAKGCG-QFIPXVFZSA-N 0 0 453.489 4.653 20 0 JJADRN C[C@H](NC(=O)Cc1cccnc1Br)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001441362692 1066034738 /nfs/dbraw/zinc/03/47/38/1066034738.db2.gz CIFMXFUTLUPFSN-HNNXBMFYSA-N 0 0 453.340 4.908 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1 ZINC001441360169 1066034772 /nfs/dbraw/zinc/03/47/72/1066034772.db2.gz VECYYJDISFFWKE-UHFFFAOYSA-N 0 0 456.340 4.774 20 0 JJADRN Cc1[nH]c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCN(C(=O)OCC(C)C)CC3)cc2c1C ZINC001360881985 1066035307 /nfs/dbraw/zinc/03/53/07/1066035307.db2.gz UGHWIRDZIJPWFI-UHFFFAOYSA-N 0 0 480.657 4.928 20 0 JJADRN Cc1cc(N(C)C)ccc1NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001441377704 1066036316 /nfs/dbraw/zinc/03/63/16/1066036316.db2.gz WRPIHQFJFLAVGP-UHFFFAOYSA-N 0 0 458.628 4.959 20 0 JJADRN CSCc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC001441372658 1066036433 /nfs/dbraw/zinc/03/64/33/1066036433.db2.gz OSBXWFWSHMDASJ-IBGZPJMESA-N 0 0 454.489 4.801 20 0 JJADRN Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)cc2)n1 ZINC001441378040 1066036455 /nfs/dbraw/zinc/03/64/55/1066036455.db2.gz ZCWFWJMUIBBFPH-UHFFFAOYSA-N 0 0 450.539 4.514 20 0 JJADRN CC1=C(C)CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(Cl)s2)CC1 ZINC001360883094 1066036621 /nfs/dbraw/zinc/03/66/21/1066036621.db2.gz JTTZHGLULULLMH-JOCHJYFZSA-N 0 0 451.036 4.823 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cccc(O)c21 ZINC001441389917 1066036827 /nfs/dbraw/zinc/03/68/27/1066036827.db2.gz MXVHTNCNQDZTCY-UHFFFAOYSA-N 0 0 454.454 4.877 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001360883193 1066036943 /nfs/dbraw/zinc/03/69/43/1066036943.db2.gz LPIMQMSWBVHSOK-QHCPKHFHSA-N 0 0 488.405 4.639 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001441400958 1066037772 /nfs/dbraw/zinc/03/77/72/1066037772.db2.gz DVKJNCYKPHEAQZ-UHFFFAOYSA-N 0 0 457.508 4.680 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2OC(F)F)cc1 ZINC001441403536 1066037864 /nfs/dbraw/zinc/03/78/64/1066037864.db2.gz JMPUSJMAGTWIHI-UHFFFAOYSA-N 0 0 455.299 4.510 20 0 JJADRN COc1cc(/C=C(\C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c2ccccc2)ccc1O ZINC001441403266 1066037986 /nfs/dbraw/zinc/03/79/86/1066037986.db2.gz HJIZYPVHMJMCAZ-HAHDFKILSA-N 0 0 459.546 4.788 20 0 JJADRN CC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001441402993 1066038049 /nfs/dbraw/zinc/03/80/49/1066038049.db2.gz GIHFKINAFCSCBR-QGZVFWFLSA-N 0 0 457.530 4.819 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001360883955 1066038106 /nfs/dbraw/zinc/03/81/06/1066038106.db2.gz HXNOQNZSANXCID-NRFANRHFSA-N 0 0 459.564 4.579 20 0 JJADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3c(Br)cccc3Br)C2)cc1 ZINC001360884250 1066038479 /nfs/dbraw/zinc/03/84/79/1066038479.db2.gz PDMMWSBWMVHQBQ-CQSZACIVSA-N 0 0 452.190 4.919 20 0 JJADRN C[C@@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)c1ccc(OCc2cccnc2)cc1 ZINC001441404403 1066038446 /nfs/dbraw/zinc/03/84/46/1066038446.db2.gz KPXDFJLRPHHJCM-BEVVSAEYSA-N 0 0 451.567 4.531 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001360884843 1066039081 /nfs/dbraw/zinc/03/90/81/1066039081.db2.gz JATSSRRWKVSUDS-UHFFFAOYSA-N 0 0 493.471 4.612 20 0 JJADRN CCCCCNC(=O)C1CCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)CC1 ZINC001441419627 1066039591 /nfs/dbraw/zinc/03/95/91/1066039591.db2.gz YXFBLFCFCVRFQO-UHFFFAOYSA-N 0 0 451.449 4.871 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@@H]2COCCO2)CC1 ZINC001360884963 1066039742 /nfs/dbraw/zinc/03/97/42/1066039742.db2.gz NEHLDPVNMATWEU-QGZVFWFLSA-N 0 0 481.822 4.713 20 0 JJADRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC001441424887 1066039951 /nfs/dbraw/zinc/03/99/51/1066039951.db2.gz RADZJYLNTAJUCV-AQTBWJFISA-N 0 0 454.851 4.846 20 0 JJADRN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001441425966 1066040452 /nfs/dbraw/zinc/04/04/52/1066040452.db2.gz XKMBCQVJUBFHOQ-KRWDZBQOSA-N 0 0 457.324 4.796 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C(C)(C)COCc2ccccc2)c1 ZINC001360885716 1066040409 /nfs/dbraw/zinc/04/04/09/1066040409.db2.gz SRBFXVCFYZIHPU-UHFFFAOYSA-N 0 0 458.624 4.821 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C)=C(C)C3)n2CCCNC(=O)C(C)C)cc1Br ZINC001360885174 1066040498 /nfs/dbraw/zinc/04/04/98/1066040498.db2.gz WCTIABXXUHJSGE-UHFFFAOYSA-N 0 0 474.447 4.725 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ccccc2COCc2ccccc2)o1 ZINC001441426810 1066040588 /nfs/dbraw/zinc/04/05/88/1066040588.db2.gz WHENGHWIHMKHPU-UHFFFAOYSA-N 0 0 450.535 4.951 20 0 JJADRN CC1=C(C)CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360886224 1066040723 /nfs/dbraw/zinc/04/07/23/1066040723.db2.gz NXSIHYHMTHIYQB-UHFFFAOYSA-N 0 0 491.640 4.981 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC001441427642 1066040735 /nfs/dbraw/zinc/04/07/35/1066040735.db2.gz YXEFFXZIPOVPEU-QGZVFWFLSA-N 0 0 459.468 4.892 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001360887066 1066041119 /nfs/dbraw/zinc/04/11/19/1066041119.db2.gz NYCXTFMRUFEZCS-APWZRJJASA-N 0 0 455.480 4.826 20 0 JJADRN CCCCCOc1ccc([C@@H](C)NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001441443869 1066041388 /nfs/dbraw/zinc/04/13/88/1066041388.db2.gz CHHUDDDAMQSSIX-IERDGZPVSA-N 0 0 452.567 4.646 20 0 JJADRN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CC1 ZINC001360888302 1066041565 /nfs/dbraw/zinc/04/15/65/1066041565.db2.gz UGRYEKHAKJKMEY-SFTDATJTSA-N 0 0 459.635 4.508 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(N(CC)CC)nc1 ZINC001441448728 1066041562 /nfs/dbraw/zinc/04/15/62/1066041562.db2.gz WHKLVIJJJSCCNY-UHFFFAOYSA-N 0 0 457.372 4.838 20 0 JJADRN COC[C@]1(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001360888550 1066041998 /nfs/dbraw/zinc/04/19/98/1066041998.db2.gz AULKYZOSULEOGQ-SANMLTNESA-N 0 0 454.567 4.786 20 0 JJADRN CCN(CC)c1ccc(CNC(=O)c2cc(Br)c(C)cc2Br)cn1 ZINC001441448730 1066042196 /nfs/dbraw/zinc/04/21/96/1066042196.db2.gz WIEHPRXHNBTSPH-UHFFFAOYSA-N 0 0 455.194 4.691 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3ccccc3F)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001360889424 1066042204 /nfs/dbraw/zinc/04/22/04/1066042204.db2.gz FVIZFNCIAQZOBL-UHFFFAOYSA-N 0 0 465.539 4.829 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC001360889157 1066042371 /nfs/dbraw/zinc/04/23/71/1066042371.db2.gz VOAALRSMCMTFFO-ZIAGYGMSSA-N 0 0 452.407 4.982 20 0 JJADRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C1(c2cccs2)CCCCC1 ZINC001360889239 1066042380 /nfs/dbraw/zinc/04/23/80/1066042380.db2.gz YAQKUXAIFJTGEU-UHFFFAOYSA-N 0 0 450.626 4.674 20 0 JJADRN CC1=C(C)CN(c2nnc(Cc3cccnc3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC001360889657 1066042655 /nfs/dbraw/zinc/04/26/55/1066042655.db2.gz NVJAYEFTXOLOJP-UHFFFAOYSA-N 0 0 458.610 4.843 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)C1 ZINC001360890413 1066042693 /nfs/dbraw/zinc/04/26/93/1066042693.db2.gz JCJMWQAANCNOAE-HSALFYBXSA-N 0 0 454.636 4.833 20 0 JJADRN CSc1ccc([C@@H](CNC(=O)c2cc(C=O)ccc2F)N2CCc3sccc3C2)cc1 ZINC001441461073 1066042682 /nfs/dbraw/zinc/04/26/82/1066042682.db2.gz BEAWHHUIQBIBMZ-JOCHJYFZSA-N 0 0 454.592 4.951 20 0 JJADRN O=C(NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)c1coc(CO)c1 ZINC001441466075 1066043454 /nfs/dbraw/zinc/04/34/54/1066043454.db2.gz MGTUWOGZDCCVNS-IBGZPJMESA-N 0 0 451.375 4.670 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CCN2CCOC[C@H]2C)c1 ZINC001360892123 1066043559 /nfs/dbraw/zinc/04/35/59/1066043559.db2.gz MKBBLCKVZCFEFN-HSZRJFAPSA-N 0 0 467.658 4.556 20 0 JJADRN Cc1cccc(OCc2nnc(N3CCC(C)=C(C)C3)n2CCOc2ncccc2Cl)c1 ZINC001360892291 1066043927 /nfs/dbraw/zinc/04/39/27/1066043927.db2.gz 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IBLAWCKNMORZTK-SFHVURJKSA-N 0 0 453.583 4.668 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)s1 ZINC001441604824 1066053080 /nfs/dbraw/zinc/05/30/80/1066053080.db2.gz XYIWICWZLMIMBX-UHFFFAOYSA-N 0 0 454.495 4.806 20 0 JJADRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1O ZINC001441608725 1066053378 /nfs/dbraw/zinc/05/33/78/1066053378.db2.gz CERJKSCXCQKTIR-YRNVUSSQSA-N 0 0 454.885 4.775 20 0 JJADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 ZINC001360899974 1066053348 /nfs/dbraw/zinc/05/33/48/1066053348.db2.gz WLOQJRQAZJMIQX-UHFFFAOYSA-N 0 0 455.558 4.898 20 0 JJADRN O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(OC(F)F)c(Br)c1 ZINC001441610841 1066053691 /nfs/dbraw/zinc/05/36/91/1066053691.db2.gz DCULTTWXCQIJRJ-UHFFFAOYSA-N 0 0 454.315 4.756 20 0 JJADRN O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cccc(C2OCCO2)c1 ZINC001441611885 1066053782 /nfs/dbraw/zinc/05/37/82/1066053782.db2.gz NBWZBGUHULALJK-UHFFFAOYSA-N 0 0 454.885 4.707 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1Cl ZINC001441611141 1066053829 /nfs/dbraw/zinc/05/38/29/1066053829.db2.gz HADUVSQVWQBGGJ-UHFFFAOYSA-N 0 0 454.727 4.540 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2CSC(c3ccccc3)=N2)CC1 ZINC001441611242 1066053848 /nfs/dbraw/zinc/05/38/48/1066053848.db2.gz HOFIBNIBZWWZGM-PKTZIBPZSA-N 0 0 450.604 4.524 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)sc1C ZINC001360901097 1066054283 /nfs/dbraw/zinc/05/42/83/1066054283.db2.gz FCRIYPYQDSLMSF-HRAATJIYSA-N 0 0 455.628 4.609 20 0 JJADRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)CC2CCC(C(=O)OCC)CC2)CC1 ZINC001441615497 1066054482 /nfs/dbraw/zinc/05/44/82/1066054482.db2.gz SFORDSBJJLBZGX-VZYOYLOZSA-N 0 0 457.611 4.722 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)cc2)sc1C ZINC001360901375 1066054542 /nfs/dbraw/zinc/05/45/42/1066054542.db2.gz OVBUNKVMPQXFOX-GOSISDBHSA-N 0 0 476.444 4.845 20 0 JJADRN Cc1nc(CCn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)sc1C ZINC001360901098 1066054714 /nfs/dbraw/zinc/05/47/14/1066054714.db2.gz FCRIYPYQDSLMSF-IIBYNOLFSA-N 0 0 455.628 4.609 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@@H](C)C2)sc1C ZINC001360901435 1066054919 /nfs/dbraw/zinc/05/49/19/1066054919.db2.gz QTHTZWCDBUFCRP-STQMWFEESA-N 0 0 463.449 4.650 20 0 JJADRN Cc1nc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@@H](C)C2)sc1C ZINC001360901433 1066054969 /nfs/dbraw/zinc/05/49/69/1066054969.db2.gz QTHTZWCDBUFCRP-OLZOCXBDSA-N 0 0 463.449 4.650 20 0 JJADRN Cc1ccc(NC(=O)N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1Cl ZINC001441621008 1066055015 /nfs/dbraw/zinc/05/50/15/1066055015.db2.gz FBHUDONJYHBNLO-UHFFFAOYSA-N 0 0 452.407 4.911 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)F)C2)sc1C ZINC001360901633 1066055388 /nfs/dbraw/zinc/05/53/88/1066055388.db2.gz XGHUSDKGORBOIR-ZHALLVOQSA-N 0 0 467.630 4.994 20 0 JJADRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)F)C2)sc1C ZINC001360901632 1066055444 /nfs/dbraw/zinc/05/54/44/1066055444.db2.gz XGHUSDKGORBOIR-YQVWRLOYSA-N 0 0 467.630 4.994 20 0 JJADRN CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C)c1C)c2=O ZINC001441623591 1066055532 /nfs/dbraw/zinc/05/55/32/1066055532.db2.gz LXOZOQYBPKTCOU-UHFFFAOYSA-N 0 0 453.608 4.568 20 0 JJADRN COC(=O)c1cc(F)cc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 ZINC001441622592 1066055545 /nfs/dbraw/zinc/05/55/45/1066055545.db2.gz JYYWQLSTUYECMV-UHFFFAOYSA-N 0 0 458.848 4.587 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@H]1CCCC1(C)C ZINC001545943238 1066055824 /nfs/dbraw/zinc/05/58/24/1066055824.db2.gz YAZZVJQTPOHCPV-CEMLEFRQSA-N 0 0 455.622 4.965 20 0 JJADRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C ZINC001360902985 1066056151 /nfs/dbraw/zinc/05/61/51/1066056151.db2.gz UXLNUUWQMRWCKT-DRSNIGMVSA-N 0 0 458.521 4.557 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC001441627064 1066056277 /nfs/dbraw/zinc/05/62/77/1066056277.db2.gz VAQGWJHLJFIOAG-UHFFFAOYSA-N 0 0 456.292 4.644 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC001360902641 1066056249 /nfs/dbraw/zinc/05/62/49/1066056249.db2.gz QHKTVLFGZSTVGO-SFHVURJKSA-N 0 0 453.468 4.894 20 0 JJADRN Cc1nc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)OC(C)(C)C2)sc1C ZINC001360903084 1066056649 /nfs/dbraw/zinc/05/66/49/1066056649.db2.gz SCOVZMKBBYICHB-ZDUSSCGKSA-N 0 0 476.444 4.833 20 0 JJADRN Cc1nc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CCC(N)=O)CC2)sc1C ZINC001360903391 1066057131 /nfs/dbraw/zinc/05/71/31/1066057131.db2.gz YDVSPPLQUXICTH-UHFFFAOYSA-N 0 0 493.464 4.855 20 0 JJADRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3(C(=O)OC(C)(C)C)CCCC3)cc12 ZINC001360903776 1066057449 /nfs/dbraw/zinc/05/74/49/1066057449.db2.gz MTVWDTHKCXERAS-UHFFFAOYSA-N 0 0 457.571 4.978 20 0 JJADRN CC[C@H](C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)c1cccc(C(F)(F)F)c1 ZINC001360903910 1066057551 /nfs/dbraw/zinc/05/75/51/1066057551.db2.gz RIZQHJWMZMGEQT-INIZCTEOSA-N 0 0 450.482 4.991 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001441651461 1066057699 /nfs/dbraw/zinc/05/76/99/1066057699.db2.gz PMNBLRJQPBHVMK-OAHLLOKOSA-N 0 0 457.905 4.736 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001441651846 1066057727 /nfs/dbraw/zinc/05/77/27/1066057727.db2.gz PNUCMWIORUVNJI-RBUKOAKNSA-N 0 0 456.587 4.611 20 0 JJADRN Cc1nc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)sc1C ZINC001360904464 1066058021 /nfs/dbraw/zinc/05/80/21/1066058021.db2.gz JIPPLCGHPUUWEH-KRWDZBQOSA-N 0 0 462.623 4.549 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001441653122 1066057941 /nfs/dbraw/zinc/05/79/41/1066057941.db2.gz UVECYXCLUZKTLD-UHFFFAOYSA-N 0 0 459.934 4.582 20 0 JJADRN Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(Cl)cc3)CC2)sc1C ZINC001360904798 1066058256 /nfs/dbraw/zinc/05/82/56/1066058256.db2.gz FRVCZCROAIYHBE-UHFFFAOYSA-N 0 0 459.063 4.872 20 0 JJADRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC001441659517 1066058595 /nfs/dbraw/zinc/05/85/95/1066058595.db2.gz PZIIZUGIOJJRIO-BETUJISGSA-N 0 0 450.402 4.645 20 0 JJADRN COc1ccc(OC2CCN(C(=O)c3cccc4c3CCN4C(=O)OC(C)(C)C)CC2)cc1 ZINC001441664839 1066059038 /nfs/dbraw/zinc/05/90/38/1066059038.db2.gz DTRDZAGMLKBIJR-UHFFFAOYSA-N 0 0 452.551 4.676 20 0 JJADRN Cc1nc(Cn2c(CCCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)sc1C ZINC001360905177 1066059074 /nfs/dbraw/zinc/05/90/74/1066059074.db2.gz MCTIYWIJMVYWJN-KRWDZBQOSA-N 0 0 492.615 4.648 20 0 JJADRN Cc1nc(Cn2c(Cc3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)sc1C ZINC001360905129 1066059264 /nfs/dbraw/zinc/05/92/64/1066059264.db2.gz UHZKTMKAXGUWTD-UHFFFAOYSA-N 0 0 451.493 4.828 20 0 JJADRN COc1cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)ccc1OCCC(C)C ZINC001441674579 1066059843 /nfs/dbraw/zinc/05/98/43/1066059843.db2.gz ONQLSPKYGUCGIW-UGKGYDQZSA-N 0 0 453.583 4.994 20 0 JJADRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001441671515 1066059867 /nfs/dbraw/zinc/05/98/67/1066059867.db2.gz QNKTWUGPYFDXOA-BRWVUGGUSA-N 0 0 450.505 4.787 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001441670959 1066059879 /nfs/dbraw/zinc/05/98/79/1066059879.db2.gz YNGLYTOGRJFVGO-SFTDATJTSA-N 0 0 452.942 4.761 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)C(C)(C)C ZINC001441674827 1066060374 /nfs/dbraw/zinc/06/03/74/1066060374.db2.gz PHIBCJITKPTDCX-HXUWFJFHSA-N 0 0 457.546 4.634 20 0 JJADRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)C1(Cc2ccccc2Br)CC1 ZINC001360906083 1066060398 /nfs/dbraw/zinc/06/03/98/1066060398.db2.gz KQIKLQKBTHAMDD-UHFFFAOYSA-N 0 0 456.428 4.932 20 0 JJADRN CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC001441681693 1066060798 /nfs/dbraw/zinc/06/07/98/1066060798.db2.gz ALSFCTXKCWSFQU-RTWAWAEBSA-N 0 0 456.652 4.726 20 0 JJADRN CCN(C(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906602 1066060840 /nfs/dbraw/zinc/06/08/40/1066060840.db2.gz HOGWEUATOBRYLL-MBSDFSHPSA-N 0 0 456.656 4.737 20 0 JJADRN CCOc1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)cc1Cl ZINC001441683150 1066061103 /nfs/dbraw/zinc/06/11/03/1066061103.db2.gz GDJFDUJERZKNJM-UHFFFAOYSA-N 0 0 457.695 4.945 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCCc3cccc(F)c3)CC2)sc1C ZINC001360907270 1066061352 /nfs/dbraw/zinc/06/13/52/1066061352.db2.gz AJTSJTGCZZJCJY-UHFFFAOYSA-N 0 0 456.635 4.648 20 0 JJADRN CCCOc1cc(OC)ccc1C(=O)N(CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906909 1066061387 /nfs/dbraw/zinc/06/13/87/1066061387.db2.gz NOTSSSUPCAWQHI-UHFFFAOYSA-N 0 0 454.615 4.837 20 0 JJADRN CC(C)Oc1ccc(-c2nc(C(=O)NCCNc3ncccc3C(F)(F)F)cs2)cc1 ZINC001441692732 1066061563 /nfs/dbraw/zinc/06/15/63/1066061563.db2.gz LARVLPTVPJBODE-UHFFFAOYSA-N 0 0 450.486 4.853 20 0 JJADRN Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3ccccc3F)CC2)sc1C ZINC001360907372 1066061630 /nfs/dbraw/zinc/06/16/30/1066061630.db2.gz DEZLSUSUPRQVBO-QGZVFWFLSA-N 0 0 486.661 4.873 20 0 JJADRN Cc1nc(N2CCN(c3nnc(Cc4ccccc4F)n3CC(C)(C)C(F)(F)F)CC2)sc1C ZINC001360907513 1066061985 /nfs/dbraw/zinc/06/19/85/1066061985.db2.gz IJWHNGYQQGQFLL-UHFFFAOYSA-N 0 0 496.578 4.996 20 0 JJADRN COc1cc([C@@H](C)NC(=O)c2cc(Br)ccc2N)ccc1OCc1ccncc1 ZINC001441694060 1066061970 /nfs/dbraw/zinc/06/19/70/1066061970.db2.gz YGLTYPCITMLQFQ-CQSZACIVSA-N 0 0 456.340 4.505 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)cc2CN1C(=O)OC(C)(C)C ZINC001441693626 1066062080 /nfs/dbraw/zinc/06/20/80/1066062080.db2.gz UORMSTPFWOIDLO-ZDUSSCGKSA-N 0 0 453.370 4.601 20 0 JJADRN CCOc1ccccc1Oc1ccc(CNC(=O)[C@](C)(CC)CNC(=O)OC(C)(C)C)cn1 ZINC001441697765 1066062572 /nfs/dbraw/zinc/06/25/72/1066062572.db2.gz VAWZUAHYUDVPQZ-RUZDIDTESA-N 0 0 457.571 4.830 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)ccn1 ZINC001441704307 1066062896 /nfs/dbraw/zinc/06/28/96/1066062896.db2.gz SPZNTLLCSSURFE-KRWDZBQOSA-N 0 0 453.489 4.818 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)Cc2ccc(Cl)s2)n1CCC(C)C ZINC001360908118 1066063103 /nfs/dbraw/zinc/06/31/03/1066063103.db2.gz CAWVPPQLRYZJOC-UHFFFAOYSA-N 0 0 481.091 4.944 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC2CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360908208 1066063169 /nfs/dbraw/zinc/06/31/69/1066063169.db2.gz FOKCIXZGIUMDTG-UHFFFAOYSA-N 0 0 487.695 4.827 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CC(C)C)n1CC(C)(C)c1cccs1 ZINC001360908158 1066063303 /nfs/dbraw/zinc/06/33/03/1066063303.db2.gz DHIYUUNYIGRCEA-UHFFFAOYSA-N 0 0 474.700 4.678 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)Cc1ccc(Br)cc1O ZINC001441721525 1066063848 /nfs/dbraw/zinc/06/38/48/1066063848.db2.gz BRVOSOAEPKIFPL-HUUCEWRRSA-N 0 0 459.384 4.762 20 0 JJADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CNC(=O)Nc1cccc(Cl)c1 ZINC001441724039 1066064228 /nfs/dbraw/zinc/06/42/28/1066064228.db2.gz NAKJODQUEWLHGZ-IYBDPMFKSA-N 0 0 456.974 4.527 20 0 JJADRN Cc1nc(N2CCOCC2)sc1-c1nnc(N(CC(C)C)C(C)C)n1CCCc1nccs1 ZINC001360908665 1066064372 /nfs/dbraw/zinc/06/43/72/1066064372.db2.gz OPRKOWBEMZZWLV-UHFFFAOYSA-N 0 0 489.715 4.507 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CC(C)C ZINC001360910417 1066066577 /nfs/dbraw/zinc/06/65/77/1066066577.db2.gz FUQQVOUIGBXLIK-LJQANCHMSA-N 0 0 466.655 4.726 20 0 JJADRN O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC001441744511 1066066847 /nfs/dbraw/zinc/06/68/47/1066066847.db2.gz AVCROLHIVSKSHC-NSHDSACASA-N 0 0 458.592 4.556 20 0 JJADRN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360910622 1066067166 /nfs/dbraw/zinc/06/71/66/1066067166.db2.gz LFDXRUCSZPHCJW-MRXNPFEDSA-N 0 0 468.627 4.890 20 0 JJADRN CCOCCCCNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001441746907 1066067431 /nfs/dbraw/zinc/06/74/31/1066067431.db2.gz LRXHHWUSPNBFPF-VWLOTQADSA-N 0 0 450.579 4.723 20 0 JJADRN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1ccccc1C(=O)c1cccs1 ZINC001441761286 1066068239 /nfs/dbraw/zinc/06/82/39/1066068239.db2.gz WSEIHVIYUWDHIK-UHFFFAOYSA-N 0 0 458.539 4.762 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001360911713 1066068526 /nfs/dbraw/zinc/06/85/26/1066068526.db2.gz UVQHAUVQYHULAI-UHFFFAOYSA-N 0 0 488.821 4.990 20 0 JJADRN C[C@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)s1 ZINC001441774982 1066069075 /nfs/dbraw/zinc/06/90/75/1066069075.db2.gz QFVXKXYAIQGOSO-NWDGAFQWSA-N 0 0 456.793 4.540 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001360911894 1066069013 /nfs/dbraw/zinc/06/90/13/1066069013.db2.gz ZSVMZLONRKIEBE-CVEARBPZSA-N 0 0 462.570 4.541 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001360911815 1066069037 /nfs/dbraw/zinc/06/90/37/1066069037.db2.gz XWFPMJONELZERK-FQEVSTJZSA-N 0 0 457.420 4.997 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001360912991 1066069281 /nfs/dbraw/zinc/06/92/81/1066069281.db2.gz JAMVNSPEEWRZMH-CABCVRRESA-N 0 0 475.410 4.993 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001545944496 1066069305 /nfs/dbraw/zinc/06/93/05/1066069305.db2.gz KACUFGIBFRXFGF-XWTMOSNGSA-N 0 0 489.611 4.857 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001545944493 1066069442 /nfs/dbraw/zinc/06/94/42/1066069442.db2.gz KACUFGIBFRXFGF-MHORFTMASA-N 0 0 489.611 4.857 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1c(F)cc(Br)cc1F ZINC001360912208 1066069389 /nfs/dbraw/zinc/06/93/89/1066069389.db2.gz LPNIUQPDKMLESL-UHFFFAOYSA-N 0 0 452.251 4.722 20 0 JJADRN Cc1n[nH]cc1CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001360913042 1066069760 /nfs/dbraw/zinc/06/97/60/1066069760.db2.gz KHZUQFSJDFKLHE-GJZGRUSLSA-N 0 0 493.450 4.841 20 0 JJADRN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]3C3CCCCC3)ccc2C)cc1 ZINC001441792950 1066069902 /nfs/dbraw/zinc/06/99/02/1066069902.db2.gz TUUIKJBDKJJNCF-QHCPKHFHSA-N 0 0 456.608 4.989 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)o1 ZINC001360913884 1066070124 /nfs/dbraw/zinc/07/01/24/1066070124.db2.gz LPNUNCSUTRWBJV-UHFFFAOYSA-N 0 0 457.548 4.879 20 0 JJADRN COc1cc(CN(C)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(SC)cc1OC ZINC001360913889 1066070319 /nfs/dbraw/zinc/07/03/19/1066070319.db2.gz LTKYBPDJBDCZOW-UHFFFAOYSA-N 0 0 450.560 4.950 20 0 JJADRN Cc1cc(Br)c(N)c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC001441801893 1066070434 /nfs/dbraw/zinc/07/04/34/1066070434.db2.gz ZIYZEGDXEKTDNL-UHFFFAOYSA-N 0 0 454.324 4.610 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001360914838 1066070998 /nfs/dbraw/zinc/07/09/98/1066070998.db2.gz PFGOYDCICRLMSL-ILBGXUMGSA-N 0 0 450.631 4.745 20 0 JJADRN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC001441809612 1066070997 /nfs/dbraw/zinc/07/09/97/1066070997.db2.gz HYUJJPOIXUJLNV-QZTJIDSGSA-N 0 0 454.439 4.748 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c2ccccc12 ZINC001441808141 1066071133 /nfs/dbraw/zinc/07/11/33/1066071133.db2.gz GAVREQQECPMANM-MRXNPFEDSA-N 0 0 452.352 4.797 20 0 JJADRN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001441808859 1066071199 /nfs/dbraw/zinc/07/11/99/1066071199.db2.gz HUPJWHFDAOTKCM-HMXCVIKNSA-N 0 0 470.411 4.995 20 0 JJADRN C[C@@H](NC(=O)c1nc(Br)ccc1Br)c1nc(C2CCCCC2)no1 ZINC001360915342 1066071510 /nfs/dbraw/zinc/07/15/10/1066071510.db2.gz DRAPXVNQYKKLAM-SECBINFHSA-N 0 0 458.154 4.528 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001360916181 1066071720 /nfs/dbraw/zinc/07/17/20/1066071720.db2.gz DLVZIVTWWZOTJI-NQIIRXRSSA-N 0 0 485.677 4.887 20 0 JJADRN Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001360916135 1066071796 /nfs/dbraw/zinc/07/17/96/1066071796.db2.gz CJLIDALOQQNLDY-HXUWFJFHSA-N 0 0 475.062 4.893 20 0 JJADRN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1c1cccc(Br)c1 ZINC001441812485 1066071987 /nfs/dbraw/zinc/07/19/87/1066071987.db2.gz ATERHBBGZNNSIM-WMZOPIPTSA-N 0 0 451.158 4.879 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1 ZINC001360916372 1066072124 /nfs/dbraw/zinc/07/21/24/1066072124.db2.gz KFWWQHJZPZZSSE-UHFFFAOYSA-N 0 0 458.557 4.664 20 0 JJADRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1Cl ZINC001441815776 1066072379 /nfs/dbraw/zinc/07/23/79/1066072379.db2.gz BDRHPYZEAAHLAT-SZCFVHRKSA-N 0 0 476.017 4.842 20 0 JJADRN Cc1ccsc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001360916643 1066072615 /nfs/dbraw/zinc/07/26/15/1066072615.db2.gz VLWMLZFMXBXFHH-UHFFFAOYSA-N 0 0 484.988 4.967 20 0 JJADRN COc1ccc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC001360917431 1066072638 /nfs/dbraw/zinc/07/26/38/1066072638.db2.gz PYBZBKAUBAINHV-SFHVURJKSA-N 0 0 453.004 4.506 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC001441817340 1066073055 /nfs/dbraw/zinc/07/30/55/1066073055.db2.gz OWWDLERCUFVOBJ-HSZRJFAPSA-N 0 0 454.567 4.899 20 0 JJADRN Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)n1 ZINC001441818102 1066073086 /nfs/dbraw/zinc/07/30/86/1066073086.db2.gz QHYFLBDFZLBNLE-UHFFFAOYSA-N 0 0 459.575 4.856 20 0 JJADRN COc1cccc(Oc2ccc(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)nc2)c1 ZINC001441820499 1066073327 /nfs/dbraw/zinc/07/33/27/1066073327.db2.gz WWQRZHWADKPXAC-UHFFFAOYSA-N 0 0 453.489 4.555 20 0 JJADRN Cc1ccsc1CCn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001360917986 1066073419 /nfs/dbraw/zinc/07/34/19/1066073419.db2.gz GEKNBRIMUNXFTE-LJQANCHMSA-N 0 0 459.685 4.585 20 0 JJADRN Cc1ncsc1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001360918247 1066073952 /nfs/dbraw/zinc/07/39/52/1066073952.db2.gz MTJOCUMTUNUAJV-YESZJQIVSA-N 0 0 461.632 4.895 20 0 JJADRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)/C=C\COC2CCOCC2)ccc1Cl ZINC001441821072 1066073863 /nfs/dbraw/zinc/07/38/63/1066073863.db2.gz YFVWCGRWQZBEDY-TWGQIWQCSA-N 0 0 456.970 4.693 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)cc1 ZINC001441820913 1066073924 /nfs/dbraw/zinc/07/39/24/1066073924.db2.gz QENHGWQLYFSDKM-WIYYLYMNSA-N 0 0 455.599 4.819 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1Cl ZINC001441822056 1066074016 /nfs/dbraw/zinc/07/40/16/1066074016.db2.gz LGLZJFXMIOYQQV-GOSISDBHSA-N 0 0 451.995 4.890 20 0 JJADRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)cc1Cl ZINC001441826919 1066074284 /nfs/dbraw/zinc/07/42/84/1066074284.db2.gz RYDLNFSWEWLNPX-SFHVURJKSA-N 0 0 451.995 4.890 20 0 JJADRN O=C(CCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC001441825005 1066074327 /nfs/dbraw/zinc/07/43/27/1066074327.db2.gz VHPZATHHCUZXEB-LJQANCHMSA-N 0 0 458.352 4.937 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccc(Br)c2)nnc1N(C)CCn1cccn1 ZINC001360918682 1066074657 /nfs/dbraw/zinc/07/46/57/1066074657.db2.gz ZALPLCMCQOAKPJ-UHFFFAOYSA-N 0 0 471.428 4.653 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N[C@@H]2CCOc3cc(OC)ccc32)nnc1-c1ccccc1 ZINC001360919071 1066074747 /nfs/dbraw/zinc/07/47/47/1066074747.db2.gz JNEVMWPJYCWQAD-OXJNMPFZSA-N 0 0 452.580 4.657 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001360919834 1066075017 /nfs/dbraw/zinc/07/50/17/1066075017.db2.gz COTLOVHMWFYRIV-STQMWFEESA-N 0 0 496.862 4.982 20 0 JJADRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)cc1Cl ZINC001441830093 1066075018 /nfs/dbraw/zinc/07/50/18/1066075018.db2.gz ZIQWGBZDRSYXMF-LSDHHAIUSA-N 0 0 454.958 4.750 20 0 JJADRN Cc1ccsc1CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001360919830 1066075186 /nfs/dbraw/zinc/07/51/86/1066075186.db2.gz CMOFOAUIPNZVRS-SFHVURJKSA-N 0 0 472.058 4.952 20 0 JJADRN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOC1CCCC1 ZINC001441855411 1066075239 /nfs/dbraw/zinc/07/52/39/1066075239.db2.gz RVEGYBWPEGGTOX-VWLOTQADSA-N 0 0 450.579 4.625 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360919994 1066075546 /nfs/dbraw/zinc/07/55/46/1066075546.db2.gz JFUOEBSWNRLCNA-GOSISDBHSA-N 0 0 489.045 4.710 20 0 JJADRN Cc1[nH]nc(I)c1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC001441868123 1066075803 /nfs/dbraw/zinc/07/58/03/1066075803.db2.gz PFJVWGVGMSPCSZ-UHFFFAOYSA-N 0 0 452.123 4.680 20 0 JJADRN Cc1ncsc1CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1 ZINC001360920395 1066076694 /nfs/dbraw/zinc/07/66/94/1066076694.db2.gz VFCPTPOFYKRMHB-MRXNPFEDSA-N 0 0 476.444 4.578 20 0 JJADRN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)ccc1F ZINC001441880375 1066076837 /nfs/dbraw/zinc/07/68/37/1066076837.db2.gz HOMXESKHOYNQAO-UHFFFAOYSA-N 0 0 452.866 4.680 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1ccc(Cl)cc1Br ZINC001360921886 1066077550 /nfs/dbraw/zinc/07/75/50/1066077550.db2.gz KNBTWDCOSAHEOT-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360921167 1066077560 /nfs/dbraw/zinc/07/75/60/1066077560.db2.gz CSGDJRCJNLSHJY-LJQANCHMSA-N 0 0 490.471 4.969 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360922285 1066077879 /nfs/dbraw/zinc/07/78/79/1066077879.db2.gz XCRAZCWHDHEUDF-RTBURBONSA-N 0 0 484.670 4.636 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360922283 1066077939 /nfs/dbraw/zinc/07/79/39/1066077939.db2.gz XCRAZCWHDHEUDF-RBUKOAKNSA-N 0 0 484.670 4.636 20 0 JJADRN Cc1ccc(C(=O)N2CCC3(C2)CCOCC3)cc1NC(=O)c1ccc(Br)cc1 ZINC001360922675 1066077962 /nfs/dbraw/zinc/07/79/62/1066077962.db2.gz ZETSVFUCPVGIOG-UHFFFAOYSA-N 0 0 457.368 4.653 20 0 JJADRN Cc1cc(I)cnc1NC(=O)c1c(Cl)cccc1Br ZINC001360922206 1066078039 /nfs/dbraw/zinc/07/80/39/1066078039.db2.gz QANFURGTMMYQQZ-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001360923119 1066078320 /nfs/dbraw/zinc/07/83/20/1066078320.db2.gz LEZVPPVSFPCTBR-UHFFFAOYSA-N 0 0 457.688 4.708 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001360923136 1066078345 /nfs/dbraw/zinc/07/83/45/1066078345.db2.gz LLVFERBWZSEGBH-UXHICEINSA-N 0 0 473.687 4.511 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCC1 ZINC001360922813 1066078416 /nfs/dbraw/zinc/07/84/16/1066078416.db2.gz DBBWMJWJRXJYGA-UHFFFAOYSA-N 0 0 474.675 4.781 20 0 JJADRN Cc1ccc(-n2cnnc2)c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)c1 ZINC001441888455 1066078741 /nfs/dbraw/zinc/07/87/41/1066078741.db2.gz GDSUATBWRAZMGI-UHFFFAOYSA-N 0 0 451.958 4.886 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001441889962 1066078765 /nfs/dbraw/zinc/07/87/65/1066078765.db2.gz HTQUFFOWQLQRJM-FQEVSTJZSA-N 0 0 451.567 4.511 20 0 JJADRN Cc1ncsc1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001360923369 1066078770 /nfs/dbraw/zinc/07/87/70/1066078770.db2.gz QOGLKNOHIDNHOK-HXUWFJFHSA-N 0 0 488.702 4.883 20 0 JJADRN Cc1ccsc1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 ZINC001360923319 1066078857 /nfs/dbraw/zinc/07/88/57/1066078857.db2.gz PLRGITQWBRYBEY-ICSRJNTNSA-N 0 0 489.686 4.826 20 0 JJADRN CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC001441890641 1066079040 /nfs/dbraw/zinc/07/90/40/1066079040.db2.gz WPVTTYGKYYTCOE-NIYFSFCBSA-N 0 0 455.599 4.597 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001441891209 1066079074 /nfs/dbraw/zinc/07/90/74/1066079074.db2.gz ZMJNOZGLCRPHCG-MAUKXSAKSA-N 0 0 471.520 4.564 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC001441892092 1066079283 /nfs/dbraw/zinc/07/92/83/1066079283.db2.gz NILMZCXKEZPIPS-ATIYNZHBSA-N 0 0 453.583 4.750 20 0 JJADRN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC001441892095 1066079333 /nfs/dbraw/zinc/07/93/33/1066079333.db2.gz NILMZCXKEZPIPS-BKMJKUGQSA-N 0 0 453.583 4.750 20 0 JJADRN C[C@@]1(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC(c2cccc(Cl)c2F)=NO1 ZINC001441892310 1066079525 /nfs/dbraw/zinc/07/95/25/1066079525.db2.gz OYNHBMSZDGGQDT-DEOSSOPVSA-N 0 0 453.901 4.653 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)cc1Cl)C1CCCCC1 ZINC001441892653 1066079754 /nfs/dbraw/zinc/07/97/54/1066079754.db2.gz PRBALZDNBQYUIE-RBBKRZOGSA-N 0 0 454.954 4.988 20 0 JJADRN Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360923765 1066079908 /nfs/dbraw/zinc/07/99/08/1066079908.db2.gz CHGXQVQMDZOCEK-UHFFFAOYSA-N 0 0 497.974 4.878 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC001441898327 1066080158 /nfs/dbraw/zinc/08/01/58/1066080158.db2.gz ZMBWRPSMWJSWQX-UHFFFAOYSA-N 0 0 457.534 4.716 20 0 JJADRN CN(C(=O)c1ccc(NC(=O)Cc2nnc(-c3ccccc3)o2)cc1Cl)C1CCCCC1 ZINC001441894421 1066080219 /nfs/dbraw/zinc/08/02/19/1066080219.db2.gz SYXUBFUPHROCDV-UHFFFAOYSA-N 0 0 452.942 4.976 20 0 JJADRN O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001441914291 1066080531 /nfs/dbraw/zinc/08/05/31/1066080531.db2.gz NTSYANUNDACKPS-AGILITTLSA-N 0 0 458.599 4.527 20 0 JJADRN Cc1ccsc1CCn1c(CCOc2ccccc2)nnc1N(C)Cc1scnc1C ZINC001360924432 1066080691 /nfs/dbraw/zinc/08/06/91/1066080691.db2.gz PDAGAPQGOWJEOB-UHFFFAOYSA-N 0 0 453.637 4.914 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)C1 ZINC001441918861 1066080977 /nfs/dbraw/zinc/08/09/77/1066080977.db2.gz UWNCIKVFSCEAAR-IQGLISFBSA-N 0 0 472.969 4.741 20 0 JJADRN Cc1ncsc1CCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001360924817 1066081016 /nfs/dbraw/zinc/08/10/16/1066081016.db2.gz XCUTZTNKPHVHCY-UPTQXZAWSA-N 0 0 471.696 4.953 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1 ZINC001360925474 1066081465 /nfs/dbraw/zinc/08/14/65/1066081465.db2.gz GRJKXHBIRLJXQV-FOIQADDNSA-N 0 0 456.391 4.603 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc(F)c2I)cc1 ZINC001360925684 1066081502 /nfs/dbraw/zinc/08/15/02/1066081502.db2.gz NXIRZNSURIKMDW-BEFAXECRSA-N 0 0 453.295 4.636 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)NCCc1nc(C(F)(F)F)cs1 ZINC001360925873 1066082239 /nfs/dbraw/zinc/08/22/39/1066082239.db2.gz RJUSIDREBZHZHG-UHFFFAOYSA-N 0 0 459.287 4.815 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 ZINC001360926081 1066082391 /nfs/dbraw/zinc/08/23/91/1066082391.db2.gz GUVLRTZKWJLHDF-UHFFFAOYSA-N 0 0 450.395 4.938 20 0 JJADRN Cc1ncsc1CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001360926322 1066082559 /nfs/dbraw/zinc/08/25/59/1066082559.db2.gz LONOFPWTBRJDRG-QGZVFWFLSA-N 0 0 451.518 4.792 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 ZINC001441953674 1066082610 /nfs/dbraw/zinc/08/26/10/1066082610.db2.gz YDVSVRPJSQOHIC-UHFFFAOYSA-N 0 0 450.314 4.629 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360926329 1066082694 /nfs/dbraw/zinc/08/26/94/1066082694.db2.gz LXIZFLWJVNFIHS-QKNQBKEWSA-N 0 0 475.703 4.988 20 0 JJADRN Cc1ncsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360926330 1066082708 /nfs/dbraw/zinc/08/27/08/1066082708.db2.gz LXIZFLWJVNFIHS-SFHLNBCPSA-N 0 0 475.703 4.988 20 0 JJADRN Cc1ccsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O ZINC001360926110 1066082783 /nfs/dbraw/zinc/08/27/83/1066082783.db2.gz HJZLPMGHUWGFGR-OAHLLOKOSA-N 0 0 464.060 4.537 20 0 JJADRN Cc1ccsc1CCn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001360926460 1066082965 /nfs/dbraw/zinc/08/29/65/1066082965.db2.gz PSLRHNVGZKZNRE-HXUWFJFHSA-N 0 0 489.686 4.826 20 0 JJADRN CCc1cccc2c(C3CCN(C(=O)c4cc(Br)c(C)n(C)c4=O)CC3)c[nH]c21 ZINC001441958169 1066083019 /nfs/dbraw/zinc/08/30/19/1066083019.db2.gz QAIKYSATMFSSRB-UHFFFAOYSA-N 0 0 456.384 4.520 20 0 JJADRN O=C(CCC1CCCCC1)N1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC001441962927 1066083420 /nfs/dbraw/zinc/08/34/20/1066083420.db2.gz QIMFYRUDEPAPIR-UHFFFAOYSA-N 0 0 458.400 4.642 20 0 JJADRN Cc1ncsc1CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 ZINC001360926614 1066083444 /nfs/dbraw/zinc/08/34/44/1066083444.db2.gz VPRFSYBLTYIFHY-UHFFFAOYSA-N 0 0 499.438 4.659 20 0 JJADRN Cc1ccsc1CCn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1C(C)(C)C ZINC001360926681 1066083535 /nfs/dbraw/zinc/08/35/35/1066083535.db2.gz XLIBQVWPONCTAU-UHFFFAOYSA-N 0 0 453.656 4.661 20 0 JJADRN O=C(CCOc1ccc(F)cc1Cl)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001441978504 1066084001 /nfs/dbraw/zinc/08/40/01/1066084001.db2.gz HGFSMHSGRFAOFK-UHFFFAOYSA-N 0 0 459.732 4.539 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC001441982556 1066084042 /nfs/dbraw/zinc/08/40/42/1066084042.db2.gz DESSQJILWZYGPJ-SBUREZEXSA-N 0 0 451.995 4.731 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)COc3cccc(C)c3)ccc2C)cc1 ZINC001441993830 1066084977 /nfs/dbraw/zinc/08/49/77/1066084977.db2.gz XUSSRLXBVWKRFA-HXUWFJFHSA-N 0 0 452.576 4.610 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 ZINC001360929572 1066085293 /nfs/dbraw/zinc/08/52/93/1066085293.db2.gz JQRPLEFQBTXMHQ-CVEARBPZSA-N 0 0 479.672 4.807 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492597552 1066085299 /nfs/dbraw/zinc/08/52/99/1066085299.db2.gz AREQABYRMGDIRO-OALUTQOASA-N 0 0 459.516 4.819 20 0 JJADRN Cc1sc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccc(F)cc1 ZINC001442012308 1066085384 /nfs/dbraw/zinc/08/53/84/1066085384.db2.gz QWULQDWTRVDXGZ-UHFFFAOYSA-N 0 0 450.944 4.856 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(C)O ZINC001360929603 1066085500 /nfs/dbraw/zinc/08/55/00/1066085500.db2.gz KIMCLVBHRZTFCI-UHFFFAOYSA-N 0 0 468.652 4.939 20 0 JJADRN C[C@H]1CCCN(Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024502 1066085957 /nfs/dbraw/zinc/08/59/57/1066085957.db2.gz XCAXIGNUETYNBE-RXVVDRJESA-N 0 0 456.612 4.505 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360929818 1066086214 /nfs/dbraw/zinc/08/62/14/1066086214.db2.gz NDGVIFLUOTZVJS-QKKBWIMNSA-N 0 0 476.444 4.660 20 0 JJADRN C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001442026675 1066086406 /nfs/dbraw/zinc/08/64/06/1066086406.db2.gz DNZLBOSAKNOFJB-IIBYNOLFSA-N 0 0 456.514 4.591 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)Cc1cccs1 ZINC001360930062 1066086453 /nfs/dbraw/zinc/08/64/53/1066086453.db2.gz RNZYAGBKVDTPAJ-UZUQRXQVSA-N 0 0 475.684 4.660 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001360930072 1066086547 /nfs/dbraw/zinc/08/65/47/1066086547.db2.gz GHKJQOQVHQJVAR-UHFFFAOYSA-N 0 0 464.595 4.871 20 0 JJADRN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)cnn1C ZINC001360929856 1066086586 /nfs/dbraw/zinc/08/65/86/1066086586.db2.gz NUIKCKSQBQFTIF-INIZCTEOSA-N 0 0 457.003 4.860 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(C(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001360930200 1066086665 /nfs/dbraw/zinc/08/66/65/1066086665.db2.gz HWXBQVSRXWVFFU-UHFFFAOYSA-N 0 0 452.628 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC001442031187 1066086839 /nfs/dbraw/zinc/08/68/39/1066086839.db2.gz KIKDPOBZURFOAV-HXUWFJFHSA-N 0 0 451.007 4.684 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cccc(Br)c2)n1CCc1ccncc1 ZINC001360930412 1066086867 /nfs/dbraw/zinc/08/68/67/1066086867.db2.gz UIAKGVGJXDMPFZ-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN(C)CC(F)(F)F ZINC001360930430 1066086893 /nfs/dbraw/zinc/08/68/93/1066086893.db2.gz UOOZAPIOFKQSKR-MRXNPFEDSA-N 0 0 469.483 4.589 20 0 JJADRN COc1ccccc1NC(=O)Nc1cc(NC(=O)c2nnc(C(C)(C)C)s2)ccc1OC ZINC001442031524 1066086926 /nfs/dbraw/zinc/08/69/26/1066086926.db2.gz RROYGBHHGOTQQD-UHFFFAOYSA-N 0 0 455.540 4.749 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1 ZINC001360930639 1066087450 /nfs/dbraw/zinc/08/74/50/1066087450.db2.gz VTNVCCBEZKAXDY-RUZDIDTESA-N 0 0 487.645 4.837 20 0 JJADRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(OC(F)(F)Cl)cc1 ZINC001442041106 1066087486 /nfs/dbraw/zinc/08/74/86/1066087486.db2.gz DWWNWBXFVTUWOL-CYBMUJFWSA-N 0 0 459.718 4.873 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CC1 ZINC001360931006 1066087654 /nfs/dbraw/zinc/08/76/54/1066087654.db2.gz YGOCNKGJTARJHD-NYHFZMIOSA-N 0 0 462.019 4.634 20 0 JJADRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC001360930981 1066087710 /nfs/dbraw/zinc/08/77/10/1066087710.db2.gz KWLDSMKUCKYWFU-CQSZACIVSA-N 0 0 458.049 4.531 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001360931082 1066088244 /nfs/dbraw/zinc/08/82/44/1066088244.db2.gz ZUKJBBGTRLHOAY-GOSISDBHSA-N 0 0 499.587 4.962 20 0 JJADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC001442059680 1066088145 /nfs/dbraw/zinc/08/81/45/1066088145.db2.gz CQPWPWTVOYDNKL-GOSISDBHSA-N 0 0 453.421 4.926 20 0 JJADRN COCCOc1ccccc1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC001442059474 1066088255 /nfs/dbraw/zinc/08/82/55/1066088255.db2.gz BBGKBOXKWSXEOW-UHFFFAOYSA-N 0 0 455.558 4.862 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC001360931750 1066088470 /nfs/dbraw/zinc/08/84/70/1066088470.db2.gz VBJYTZFRVYFRPJ-KRWDZBQOSA-N 0 0 451.658 4.658 20 0 JJADRN Cc1cccc(N2C[C@H](C(=O)NCC3(c4cccc(Br)c4)CCC3)CC2=O)c1C ZINC001442063355 1066088533 /nfs/dbraw/zinc/08/85/33/1066088533.db2.gz PKVHZCGLWHJQPE-GOSISDBHSA-N 0 0 455.396 4.657 20 0 JJADRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1OCc1ccncc1 ZINC001360931833 1066088635 /nfs/dbraw/zinc/08/86/35/1066088635.db2.gz WFCJBGBXZOGDSA-SANMLTNESA-N 0 0 455.599 4.649 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001360931973 1066088692 /nfs/dbraw/zinc/08/86/92/1066088692.db2.gz ANNZGWPIZLIYMD-TZMCWYRMSA-N 0 0 453.385 4.575 20 0 JJADRN C[C@@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O ZINC001442065327 1066089062 /nfs/dbraw/zinc/08/90/62/1066089062.db2.gz VGTNVJHABVFTPJ-ZDUSSCGKSA-N 0 0 459.365 4.830 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)Nc3nnc(C4CCCCC4)s3)cn2c1 ZINC001442066390 1066089207 /nfs/dbraw/zinc/08/92/07/1066089207.db2.gz SQOBWQHGLDOXHO-UHFFFAOYSA-N 0 0 456.572 4.511 20 0 JJADRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1c(F)ccc(F)c1Cl ZINC001442069311 1066089862 /nfs/dbraw/zinc/08/98/62/1066089862.db2.gz KKFRERWLKZRLOS-UHFFFAOYSA-N 0 0 458.820 4.950 20 0 JJADRN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 ZINC001360932610 1066090114 /nfs/dbraw/zinc/09/01/14/1066090114.db2.gz HGDFJCSHXPZRST-UHFFFAOYSA-N 0 0 451.548 4.810 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3cc4ccccc4o3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cnn1C ZINC001360932714 1066090155 /nfs/dbraw/zinc/09/01/55/1066090155.db2.gz QRUBTGPOJWBFLC-KRWDZBQOSA-N 0 0 493.612 4.530 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1C[C@H](F)C1 ZINC001360932622 1066090168 /nfs/dbraw/zinc/09/01/68/1066090168.db2.gz PBIGUVITCGVRPX-CTYIDZIISA-N 0 0 467.412 4.586 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1([S@](C)=O)CCC1 ZINC001360932611 1066090183 /nfs/dbraw/zinc/09/01/83/1066090183.db2.gz OXUHKOLPCZCPFQ-PMERELPUSA-N 0 0 495.418 4.686 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCOCC(F)F ZINC001360932734 1066090613 /nfs/dbraw/zinc/09/06/13/1066090613.db2.gz RJICGMAQMHTLPH-UHFFFAOYSA-N 0 0 473.293 4.666 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCSC(F)(F)F ZINC001360933201 1066091148 /nfs/dbraw/zinc/09/11/48/1066091148.db2.gz YKUZDTZYMANANW-UHFFFAOYSA-N 0 0 478.338 4.837 20 0 JJADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC001360933620 1066091745 /nfs/dbraw/zinc/09/17/45/1066091745.db2.gz KKMQHPSBIBOWOY-AVRDEDQJSA-N 0 0 454.567 4.762 20 0 JJADRN COc1cc(COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)ccc1C ZINC001360933321 1066091764 /nfs/dbraw/zinc/09/17/64/1066091764.db2.gz FTPYAXUXFQMZIZ-SFHVURJKSA-N 0 0 451.544 4.501 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)NCC(F)F ZINC001360934508 1066092015 /nfs/dbraw/zinc/09/20/15/1066092015.db2.gz BBCMKLVDVDZBJV-UHFFFAOYSA-N 0 0 489.523 4.732 20 0 JJADRN CCN(CC)C(=O)C1(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CCCCC1 ZINC001442092900 1066092666 /nfs/dbraw/zinc/09/26/66/1066092666.db2.gz KXSKUDDCFYJPSD-UHFFFAOYSA-N 0 0 456.656 4.775 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[C@H](C)C2)cnn1C ZINC001360934751 1066093140 /nfs/dbraw/zinc/09/31/40/1066093140.db2.gz KOVMFPCKVVNBGS-GOEBONIOSA-N 0 0 475.410 4.961 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)cnn1C ZINC001360934782 1066093525 /nfs/dbraw/zinc/09/35/25/1066093525.db2.gz LOONLGDUJQLRRA-UGKGYDQZSA-N 0 0 457.022 4.728 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001360934841 1066093691 /nfs/dbraw/zinc/09/36/91/1066093691.db2.gz NVXHBWCTBMWKJA-XLIONFOSSA-N 0 0 461.035 4.846 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)C[C@@H](c2ccccc2)O1 ZINC001442105379 1066093730 /nfs/dbraw/zinc/09/37/30/1066093730.db2.gz OGQJLAUMOUNZGE-GOCFMPHISA-N 0 0 452.982 4.723 20 0 JJADRN CCCc1c(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cnn1-c1ccccc1C ZINC001442105496 1066093760 /nfs/dbraw/zinc/09/37/60/1066093760.db2.gz LXHGJVXLQFHKIE-UHFFFAOYSA-N 0 0 456.546 4.586 20 0 JJADRN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)C[C@H](c2ccccc2)O1 ZINC001442105386 1066093861 /nfs/dbraw/zinc/09/38/61/1066093861.db2.gz OGQJLAUMOUNZGE-ZNASFLGWSA-N 0 0 452.982 4.723 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC2CC(OC(C)(C)C)C2)cnn1C ZINC001360934939 1066093914 /nfs/dbraw/zinc/09/39/14/1066093914.db2.gz REENTZYXGWSHMI-UHFFFAOYSA-N 0 0 472.037 4.656 20 0 JJADRN CC(C)[C@@H](C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)N1C[C@@H](C)O[C@H](C)C1 ZINC001442106986 1066094160 /nfs/dbraw/zinc/09/41/60/1066094160.db2.gz OXAANDZPQLDGDB-FHAGJXEFSA-N 0 0 458.622 4.521 20 0 JJADRN CCc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1Br ZINC001442107417 1066094248 /nfs/dbraw/zinc/09/42/48/1066094248.db2.gz MLCHGIQPZVSMSI-GOSISDBHSA-N 0 0 453.174 4.988 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)C ZINC001360935224 1066094292 /nfs/dbraw/zinc/09/42/92/1066094292.db2.gz YACOYSLQQSQROE-UHFFFAOYSA-N 0 0 468.396 4.673 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCCCCC1 ZINC001360935169 1066094301 /nfs/dbraw/zinc/09/43/01/1066094301.db2.gz CVXISNFSVVHDMH-UHFFFAOYSA-N 0 0 455.990 4.929 20 0 JJADRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442111394 1066095290 /nfs/dbraw/zinc/09/52/90/1066095290.db2.gz ZTZWJINLXDMWNS-INIZCTEOSA-N 0 0 450.402 4.607 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCc2ccnc(C(C)(C)C)n2)cnn1C ZINC001360935749 1066095479 /nfs/dbraw/zinc/09/54/79/1066095479.db2.gz VWCXQOQGMYOZSF-UHFFFAOYSA-N 0 0 493.059 4.997 20 0 JJADRN CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)sc2C1 ZINC001360936133 1066096041 /nfs/dbraw/zinc/09/60/41/1066096041.db2.gz LETHZXSTUXWOHJ-CXAGYDPISA-N 0 0 450.029 4.855 20 0 JJADRN CCC[C@H]1CCc2nc(NC(=O)CCNC(=O)c3ccc(Br)cc3)sc2C1 ZINC001360936351 1066096365 /nfs/dbraw/zinc/09/63/65/1066096365.db2.gz UXLZDKAFDMQVPM-ZDUSSCGKSA-N 0 0 450.402 4.569 20 0 JJADRN Cc1c(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)cnn1C ZINC001360937007 1066096414 /nfs/dbraw/zinc/09/64/14/1066096414.db2.gz JIWKQAJNWWEBRO-LJQANCHMSA-N 0 0 461.467 4.573 20 0 JJADRN CN(C[C@@H]1CCCN(C(=O)Cc2c(Cl)cccc2Br)C1)C(=O)OC(C)(C)C ZINC001442116523 1066096427 /nfs/dbraw/zinc/09/64/27/1066096427.db2.gz JZCSWSPZCMBIQF-AWEZNQCLSA-N 0 0 459.812 4.751 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C(=O)N1c1ccccc1 ZINC001360937545 1066096778 /nfs/dbraw/zinc/09/67/78/1066096778.db2.gz MOJUENTZJVUTGJ-IFXJQAMLSA-N 0 0 459.493 4.682 20 0 JJADRN CN(C[C@H]1CCCN(C(=O)C2(c3ccccc3Br)CC2)C1)C(=O)OC(C)(C)C ZINC001442124415 1066096921 /nfs/dbraw/zinc/09/69/21/1066096921.db2.gz VSMRYUINRIEEEP-MRXNPFEDSA-N 0 0 451.405 4.586 20 0 JJADRN Cc1occc1CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360938767 1066097068 /nfs/dbraw/zinc/09/70/68/1066097068.db2.gz VOMAMJVUHSSSPU-UHFFFAOYSA-N 0 0 491.596 4.536 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(F)cc1F ZINC001442147353 1066097696 /nfs/dbraw/zinc/09/76/96/1066097696.db2.gz GLCLMNNOCSJMSF-GOSISDBHSA-N 0 0 450.485 4.956 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CC1 ZINC001360941559 1066098118 /nfs/dbraw/zinc/09/81/18/1066098118.db2.gz SQIDRXPTYHOOKX-QGZVFWFLSA-N 0 0 460.648 4.594 20 0 JJADRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)o1 ZINC001360942506 1066098240 /nfs/dbraw/zinc/09/82/40/1066098240.db2.gz RPFMUWKHMJGTMD-MGPUTAFESA-N 0 0 450.988 4.649 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)o1 ZINC001360942505 1066098306 /nfs/dbraw/zinc/09/83/06/1066098306.db2.gz RPFMUWKHMJGTMD-FOIQADDNSA-N 0 0 450.988 4.649 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)o1 ZINC001360942538 1066098547 /nfs/dbraw/zinc/09/85/47/1066098547.db2.gz SIOSPFVWIGPMMF-YRNRMSPPSA-N 0 0 459.384 4.957 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)o1 ZINC001360942508 1066098577 /nfs/dbraw/zinc/09/85/77/1066098577.db2.gz RPFMUWKHMJGTMD-YWZLYKJASA-N 0 0 450.988 4.649 20 0 JJADRN COc1ccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)c2cccnc12 ZINC001442169135 1066098907 /nfs/dbraw/zinc/09/89/07/1066098907.db2.gz HSORHMHQJDSKSA-UHFFFAOYSA-N 0 0 459.593 4.558 20 0 JJADRN CCCN(C(=O)c1cccc(OCC(=O)OC)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001360943561 1066098964 /nfs/dbraw/zinc/09/89/64/1066098964.db2.gz UFQTZRWFPFLGQX-RUZDIDTESA-N 0 0 450.510 4.723 20 0 JJADRN Cc1occc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC(F)(F)C1 ZINC001360943609 1066098973 /nfs/dbraw/zinc/09/89/73/1066098973.db2.gz ARBWTWRSRKHHNH-IEBWSBKVSA-N 0 0 495.571 4.560 20 0 JJADRN CCOc1cc(Br)c(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCC ZINC001442178486 1066099183 /nfs/dbraw/zinc/09/91/83/1066099183.db2.gz AUFIAFGDXYQXKY-QGZVFWFLSA-N 0 0 459.381 4.734 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001360944585 1066099396 /nfs/dbraw/zinc/09/93/96/1066099396.db2.gz BQTGTSUMTFTSIH-INIZCTEOSA-N 0 0 469.014 4.786 20 0 JJADRN CC(C)COc1ccc(C2(C(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)CCC2)cc1 ZINC001442180350 1066099527 /nfs/dbraw/zinc/09/95/27/1066099527.db2.gz HFQCZDZYBQRUGN-XMMPIXPASA-N 0 0 450.579 4.577 20 0 JJADRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)cc1 ZINC001442183859 1066099706 /nfs/dbraw/zinc/09/97/06/1066099706.db2.gz LDRZDILMMYVREM-LJQANCHMSA-N 0 0 452.873 4.873 20 0 JJADRN COc1ccccc1Oc1ccc(NC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)cc1F ZINC001442184309 1066100086 /nfs/dbraw/zinc/10/00/86/1066100086.db2.gz MUOXVCDPIMEENL-CALCHBBNSA-N 0 0 451.498 4.888 20 0 JJADRN Cc1cc2c(o1)c(C(=O)NCc1cccc(NC(=O)[C@@H]3CCCO3)c1)ccc2Br ZINC001442186841 1066100169 /nfs/dbraw/zinc/10/01/69/1066100169.db2.gz QUNXEFUYLNYLPV-IBGZPJMESA-N 0 0 457.324 4.551 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccccn2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001360945113 1066100149 /nfs/dbraw/zinc/10/01/49/1066100149.db2.gz UWYIPFOAWUBASJ-UHFFFAOYSA-N 0 0 459.598 4.522 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC001360946182 1066100641 /nfs/dbraw/zinc/10/06/41/1066100641.db2.gz MUHJNRLKRBPHPS-RBUKOAKNSA-N 0 0 450.004 4.542 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1CCCOc1ccc(F)cc1 ZINC001360946137 1066100678 /nfs/dbraw/zinc/10/06/78/1066100678.db2.gz CHQMGYZRLUBRIV-UHFFFAOYSA-N 0 0 457.600 4.940 20 0 JJADRN Cc1c(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccccc2F)cnn1C ZINC001360946075 1066100704 /nfs/dbraw/zinc/10/07/04/1066100704.db2.gz BBUQYUHBPMZKRL-UHFFFAOYSA-N 0 0 452.603 4.726 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)CC(F)(F)F ZINC001360946665 1066101233 /nfs/dbraw/zinc/10/12/33/1066101233.db2.gz NUMXIOQVAZDCPU-UHFFFAOYSA-N 0 0 474.531 4.772 20 0 JJADRN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001442191185 1066101363 /nfs/dbraw/zinc/10/13/63/1066101363.db2.gz YXYMSCKZCGAWIV-UHFFFAOYSA-N 0 0 458.852 4.631 20 0 JJADRN Cc1occc1CN(C)c1nnc(CCc2ccccc2)n1Cc1cccnc1OCC(F)(F)F ZINC001360947154 1066101963 /nfs/dbraw/zinc/10/19/63/1066101963.db2.gz AJUZPHCOGRQYDX-UHFFFAOYSA-N 0 0 485.510 4.986 20 0 JJADRN Cc1occc1CN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001360947024 1066101969 /nfs/dbraw/zinc/10/19/69/1066101969.db2.gz WKMMWNMTDAQLTP-UHFFFAOYSA-N 0 0 459.616 4.772 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC001442203874 1066101987 /nfs/dbraw/zinc/10/19/87/1066101987.db2.gz CCWYLQDFUVMRJY-PCCBWWKXSA-N 0 0 458.599 4.775 20 0 JJADRN CC(C)(C(=O)Nc1ncn(Cc2ccccc2)n1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001442209369 1066102427 /nfs/dbraw/zinc/10/24/27/1066102427.db2.gz GBZGKBAEUXVEOI-XMMPIXPASA-N 0 0 456.546 4.604 20 0 JJADRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cn(Cc2ccccn2)nn1 ZINC001442211254 1066102444 /nfs/dbraw/zinc/10/24/44/1066102444.db2.gz QWZUKZJGTIXLIJ-UHFFFAOYSA-N 0 0 455.440 4.663 20 0 JJADRN CCOC(=O)N1CSC[C@H]1C(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001442210231 1066102466 /nfs/dbraw/zinc/10/24/66/1066102466.db2.gz NVNLKAXVCGVNQY-KRWDZBQOSA-N 0 0 456.486 4.845 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC001360947698 1066103026 /nfs/dbraw/zinc/10/30/26/1066103026.db2.gz WDPNINGRBLYOGQ-JYFHCDHNSA-N 0 0 478.685 4.973 20 0 JJADRN Cc1c(CN(C)c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC001360947700 1066103053 /nfs/dbraw/zinc/10/30/53/1066103053.db2.gz WDPNINGRBLYOGQ-ZEQKJWHPSA-N 0 0 478.685 4.973 20 0 JJADRN Cc1sc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC001442225762 1066104268 /nfs/dbraw/zinc/10/42/68/1066104268.db2.gz YPHVQPGYTMYXPS-XWTMOSNGSA-N 0 0 462.015 4.937 20 0 JJADRN Cc1c(CN(C)c2nnc(CSc3ccc(Cl)cc3)n2CCC(C)(F)F)cnn1C ZINC001360949511 1066105529 /nfs/dbraw/zinc/10/55/29/1066105529.db2.gz JKSNAWCDNJKSGY-UHFFFAOYSA-N 0 0 454.978 4.947 20 0 JJADRN Cc1occc1CN(C)c1nnc(COc2ccccc2F)n1CCOc1ccc(Cl)cn1 ZINC001360949714 1066106284 /nfs/dbraw/zinc/10/62/84/1066106284.db2.gz QLMJRRYZJSXBJW-UHFFFAOYSA-N 0 0 471.920 4.661 20 0 JJADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1 ZINC001442241132 1066106652 /nfs/dbraw/zinc/10/66/52/1066106652.db2.gz WSHMKQCEVDFXGR-AZUAARDMSA-N 0 0 458.599 4.769 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCCCO1 ZINC001360949831 1066106918 /nfs/dbraw/zinc/10/69/18/1066106918.db2.gz VCEDJKOUBLTERV-GOSISDBHSA-N 0 0 462.019 4.871 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)c1nccs1 ZINC001360949940 1066107577 /nfs/dbraw/zinc/10/75/77/1066107577.db2.gz ZNNXCKVTLJVGKT-CQSZACIVSA-N 0 0 458.588 4.658 20 0 JJADRN Cc1ncsc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(F)c1 ZINC001360950876 1066108098 /nfs/dbraw/zinc/10/80/98/1066108098.db2.gz UDNDIFNTWBLCIX-IZAXUBKRSA-N 0 0 486.617 4.638 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c[nH]c2ncc(Br)cc12 ZINC001442248565 1066108411 /nfs/dbraw/zinc/10/84/11/1066108411.db2.gz MECAPXIKSGXBBB-ZDUSSCGKSA-N 0 0 450.720 4.789 20 0 JJADRN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001360951230 1066108599 /nfs/dbraw/zinc/10/85/99/1066108599.db2.gz RHZOWSKUKAWVST-GOSISDBHSA-N 0 0 452.860 4.927 20 0 JJADRN Cc1ccsc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001360953263 1066109700 /nfs/dbraw/zinc/10/97/00/1066109700.db2.gz IZQCPTJMMDYNPB-INIZCTEOSA-N 0 0 479.984 4.761 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001442265445 1066110122 /nfs/dbraw/zinc/11/01/22/1066110122.db2.gz JEZOMJPVLGRYBZ-FQEVSTJZSA-N 0 0 457.640 4.556 20 0 JJADRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001360953961 1066110367 /nfs/dbraw/zinc/11/03/67/1066110367.db2.gz MCMAJHPJDCJVQL-UHFFFAOYSA-N 0 0 454.401 4.691 20 0 JJADRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)[C@H](C)NC(=O)C1CCCCC1)CCO2 ZINC001360954803 1066110996 /nfs/dbraw/zinc/11/09/96/1066110996.db2.gz AMSMPQZHNKTSDZ-CYFREDJKSA-N 0 0 450.579 4.633 20 0 JJADRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442268309 1066111308 /nfs/dbraw/zinc/11/13/08/1066111308.db2.gz WCSDCCCOZKDEOM-KXBFYZLASA-N 0 0 452.473 4.855 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001442283841 1066111377 /nfs/dbraw/zinc/11/13/77/1066111377.db2.gz JZFDXYDCJSZYSX-GOSISDBHSA-N 0 0 450.476 4.788 20 0 JJADRN Cc1nnsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360955547 1066111422 /nfs/dbraw/zinc/11/14/22/1066111422.db2.gz FCLRTCTWZIKTGT-LPHOPBHVSA-N 0 0 474.606 4.549 20 0 JJADRN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c2C1 ZINC001442290859 1066111792 /nfs/dbraw/zinc/11/17/92/1066111792.db2.gz DVZYYNANPKPIDQ-SFHVURJKSA-N 0 0 450.604 4.719 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)CCC1 ZINC001360955675 1066111938 /nfs/dbraw/zinc/11/19/38/1066111938.db2.gz AQRKDWUTOQALIG-UHFFFAOYSA-N 0 0 459.543 4.689 20 0 JJADRN C[C@@](O)(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC001442296492 1066112402 /nfs/dbraw/zinc/11/24/02/1066112402.db2.gz MFKOKJCUWKCYAI-YKSBVNFPSA-N 0 0 454.339 4.970 20 0 JJADRN CCCCOc1ncccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC001442295872 1066112576 /nfs/dbraw/zinc/11/25/76/1066112576.db2.gz SYBYSCJXUSPFSC-UHFFFAOYSA-N 0 0 457.372 4.701 20 0 JJADRN O=C(CC1(CSc2ccccc2)CC1)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001442298455 1066112825 /nfs/dbraw/zinc/11/28/25/1066112825.db2.gz NYCOWUDHICFZCH-UHFFFAOYSA-N 0 0 458.071 4.931 20 0 JJADRN CCOc1ccc(C[C@H](CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C(=O)OC)cc1 ZINC001442298736 1066112854 /nfs/dbraw/zinc/11/28/54/1066112854.db2.gz JXFZNTIZDXBIES-CRAIPNDOSA-N 0 0 452.378 4.719 20 0 JJADRN Cc1c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)cnn1CC(C)C ZINC001360956719 1066112820 /nfs/dbraw/zinc/11/28/20/1066112820.db2.gz PBOLNWGGPKSAMG-WIYYLYMNSA-N 0 0 472.634 4.708 20 0 JJADRN Cc1ccoc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001360956784 1066112910 /nfs/dbraw/zinc/11/29/10/1066112910.db2.gz QGWWLSJEUDMLCR-KRWDZBQOSA-N 0 0 471.989 4.503 20 0 JJADRN Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001360957036 1066113523 /nfs/dbraw/zinc/11/35/23/1066113523.db2.gz UYJKVNLJIRTZLP-HSZRJFAPSA-N 0 0 495.668 4.779 20 0 JJADRN Cc1ccsc1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001360957013 1066113541 /nfs/dbraw/zinc/11/35/41/1066113541.db2.gz UQWLBGWJDNKNRI-ROUUACIJSA-N 0 0 488.057 4.773 20 0 JJADRN C/C=C\c1ccc(OCC(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)c(OC)c1 ZINC001360956885 1066113558 /nfs/dbraw/zinc/11/35/58/1066113558.db2.gz UWDFXPLZDSCIHY-SREVYHEPSA-N 0 0 452.507 4.972 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc21 ZINC001442299373 1066113573 /nfs/dbraw/zinc/11/35/73/1066113573.db2.gz YFXAERSAFWEZRI-QFIPXVFZSA-N 0 0 452.551 4.723 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc21 ZINC001442299369 1066113617 /nfs/dbraw/zinc/11/36/17/1066113617.db2.gz YFXAERSAFWEZRI-JOCHJYFZSA-N 0 0 452.551 4.723 20 0 JJADRN Cc1c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCS[C@H](C)C2)cnn1CC(C)C ZINC001360957220 1066113933 /nfs/dbraw/zinc/11/39/33/1066113933.db2.gz WUVLMMSLHYKFOD-MJGOQNOKSA-N 0 0 472.634 4.708 20 0 JJADRN Cc1ccoc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001360958105 1066114466 /nfs/dbraw/zinc/11/44/66/1066114466.db2.gz GCIGIIYYFXDOIT-UHFFFAOYSA-N 0 0 471.989 4.853 20 0 JJADRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(NCc3nc(C)cs3)c2)c1 ZINC001442304737 1066114748 /nfs/dbraw/zinc/11/47/48/1066114748.db2.gz UYUJBUPJPXMGDX-QHCPKHFHSA-N 0 0 451.592 4.894 20 0 JJADRN CCc1nccn1[C@@H](C)CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC001442303073 1066114777 /nfs/dbraw/zinc/11/47/77/1066114777.db2.gz OMQLFXDEEOWNBZ-RDJZCZTQSA-N 0 0 456.978 4.702 20 0 JJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncc2ncn(C)c21 ZINC001442304370 1066114803 /nfs/dbraw/zinc/11/48/03/1066114803.db2.gz HYSUESDHKWPWSU-UHFFFAOYSA-N 0 0 453.424 4.800 20 0 JJADRN Cc1nnsc1Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001360958236 1066115051 /nfs/dbraw/zinc/11/50/51/1066115051.db2.gz IILFKGWHTOFWMU-GFCCVEGCSA-N 0 0 490.456 4.612 20 0 JJADRN Cc1nnsc1Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001360958237 1066115092 /nfs/dbraw/zinc/11/50/92/1066115092.db2.gz IILFKGWHTOFWMU-LBPRGKRZSA-N 0 0 490.456 4.612 20 0 JJADRN Cc1c(Cn2c(-c3cc(Br)cn3C)nnc2N(CC(C)C)C2CCCC2)cnn1C ZINC001360958887 1066115680 /nfs/dbraw/zinc/11/56/80/1066115680.db2.gz VSLQOXUKPVNVPC-UHFFFAOYSA-N 0 0 474.451 4.541 20 0 JJADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2csc3ccc(Br)cc23)C1 ZINC001442317882 1066116353 /nfs/dbraw/zinc/11/63/53/1066116353.db2.gz PQYDHELKPNXCJV-LSDHHAIUSA-N 0 0 451.430 4.750 20 0 JJADRN CC(C)NC(=O)NC1(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)CCCCC1 ZINC001442332288 1066116924 /nfs/dbraw/zinc/11/69/24/1066116924.db2.gz NWNOEEIGTPPAMI-UHFFFAOYSA-N 0 0 451.546 4.642 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Br)s3)nnc2N(C)Cc2cc(F)cc(F)c2)cnn1C ZINC001360959696 1066117118 /nfs/dbraw/zinc/11/71/18/1066117118.db2.gz MPCYVOYJIXNOLC-UHFFFAOYSA-N 0 0 493.381 4.774 20 0 JJADRN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442337550 1066118333 /nfs/dbraw/zinc/11/83/33/1066118333.db2.gz PQZNDQSBPYWEFR-DEOSSOPVSA-N 0 0 452.963 4.837 20 0 JJADRN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442337556 1066118360 /nfs/dbraw/zinc/11/83/60/1066118360.db2.gz PQZNDQSBPYWEFR-XMMPIXPASA-N 0 0 452.963 4.837 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2C[C@H](C)S[C@@H](C)C2)cnn1C ZINC001360960266 1066118643 /nfs/dbraw/zinc/11/86/43/1066118643.db2.gz HCRMFMQMNUVGAV-STQMWFEESA-N 0 0 451.427 4.672 20 0 JJADRN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1)Oc1ccccc1F ZINC001545948452 1066118728 /nfs/dbraw/zinc/11/87/28/1066118728.db2.gz RFFCHCVHYBIVTC-FXAWDEMLSA-N 0 0 486.617 4.519 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H]2CCCOC2)cnn1CC(C)C ZINC001360960338 1066119101 /nfs/dbraw/zinc/11/91/01/1066119101.db2.gz JOHCIBRPXBFMJM-GOSISDBHSA-N 0 0 475.012 4.810 20 0 JJADRN Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360960370 1066119108 /nfs/dbraw/zinc/11/91/08/1066119108.db2.gz KMTVNMRJEMRZIN-HNNXBMFYSA-N 0 0 463.351 4.659 20 0 JJADRN Cc1c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS[C@@H](C(C)C)C2)cnn1C ZINC001360960303 1066119125 /nfs/dbraw/zinc/11/91/25/1066119125.db2.gz IIGYRXCZOITTKC-LJQANCHMSA-N 0 0 465.454 4.920 20 0 JJADRN Cc1c(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)cnn1C ZINC001360960427 1066119133 /nfs/dbraw/zinc/11/91/33/1066119133.db2.gz MAQZJUHNACOWAK-WOJBJXKFSA-N 0 0 450.631 4.943 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)CC(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)cc1F ZINC001442353125 1066119169 /nfs/dbraw/zinc/11/91/69/1066119169.db2.gz NMUPHWMBNWRIMK-INIZCTEOSA-N 0 0 453.535 4.707 20 0 JJADRN O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC001442356832 1066119848 /nfs/dbraw/zinc/11/98/48/1066119848.db2.gz JEPPJGUJHGHKIC-UHFFFAOYSA-N 0 0 454.904 4.812 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001360960632 1066120116 /nfs/dbraw/zinc/12/01/16/1066120116.db2.gz TXRRGNJQCHIKKU-UHFFFAOYSA-N 0 0 473.927 4.840 20 0 JJADRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1C ZINC001360961384 1066120676 /nfs/dbraw/zinc/12/06/76/1066120676.db2.gz HJEVKVLONRMLGD-UHFFFAOYSA-N 0 0 454.317 4.594 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)c1 ZINC001360960803 1066120730 /nfs/dbraw/zinc/12/07/30/1066120730.db2.gz ACZOAMHXGSZRDK-OAQYLSRUSA-N 0 0 456.539 4.637 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)c1 ZINC001360960802 1066120743 /nfs/dbraw/zinc/12/07/43/1066120743.db2.gz ACZOAMHXGSZRDK-NRFANRHFSA-N 0 0 456.539 4.637 20 0 JJADRN CCOC(=O)[C@@H](CNC(=O)C[C@H](C)c1ccc(F)c(Br)c1)Cc1ccccc1 ZINC001442368930 1066120840 /nfs/dbraw/zinc/12/08/40/1066120840.db2.gz ULWQPNJCNXHEBE-MAUKXSAKSA-N 0 0 450.348 4.620 20 0 JJADRN C[C@H](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442370561 1066120864 /nfs/dbraw/zinc/12/08/64/1066120864.db2.gz BCWZDYKYSJCXDZ-VAMGGRTRSA-N 0 0 459.631 4.912 20 0 JJADRN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001442370890 1066120909 /nfs/dbraw/zinc/12/09/09/1066120909.db2.gz DGNCDOVPYDDZHG-HZPDHXFCSA-N 0 0 456.384 4.965 20 0 JJADRN Cc1ccc(NC(=O)CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(Cl)c1 ZINC001442375946 1066121387 /nfs/dbraw/zinc/12/13/87/1066121387.db2.gz NZUOISVVFPSTBW-MRXNPFEDSA-N 0 0 457.958 4.632 20 0 JJADRN Cc1c(Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)cnn1CC(C)C ZINC001360962391 1066121708 /nfs/dbraw/zinc/12/17/08/1066121708.db2.gz CIGJXHLUTHBMIC-FQEVSTJZSA-N 0 0 475.641 4.656 20 0 JJADRN CC[C@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c2ccccc2O1 ZINC001360962290 1066121783 /nfs/dbraw/zinc/12/17/83/1066121783.db2.gz YYEDIIZUXORMFX-GREBRCKQSA-N 0 0 454.567 4.689 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccn2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001360962845 1066122292 /nfs/dbraw/zinc/12/22/92/1066122292.db2.gz UBXJCTZLWPQSFL-UHFFFAOYSA-N 0 0 490.452 4.581 20 0 JJADRN COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC001442387418 1066122552 /nfs/dbraw/zinc/12/25/52/1066122552.db2.gz ADZHNPRGRRMUED-GOSISDBHSA-N 0 0 455.393 4.672 20 0 JJADRN Cc1ccsc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360962854 1066122846 /nfs/dbraw/zinc/12/28/46/1066122846.db2.gz UHPJGIIDROLNCD-OALUTQOASA-N 0 0 482.654 4.888 20 0 JJADRN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001442390349 1066122978 /nfs/dbraw/zinc/12/29/78/1066122978.db2.gz CNJXYDYNUKGGBS-CTNGQTDRSA-N 0 0 453.311 4.605 20 0 JJADRN Cc1ccsc1Cn1c(-c2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360963924 1066123236 /nfs/dbraw/zinc/12/32/36/1066123236.db2.gz QWSDHDCBAPAODP-UHFFFAOYSA-N 0 0 468.627 4.594 20 0 JJADRN Cc1ccsc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001360964251 1066123408 /nfs/dbraw/zinc/12/34/08/1066123408.db2.gz XIFXKMBHCATIIF-UHFFFAOYSA-N 0 0 471.428 4.538 20 0 JJADRN C[C@H](NC(=O)c1cccn1-c1c(Cl)cccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001360964400 1066123465 /nfs/dbraw/zinc/12/34/65/1066123465.db2.gz PVYHONZGKIUACI-HTAPYJJXSA-N 0 0 458.389 4.803 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC001442394120 1066123547 /nfs/dbraw/zinc/12/35/47/1066123547.db2.gz HYZXPIQKAJJCAE-RBUKOAKNSA-N 0 0 450.579 4.577 20 0 JJADRN Cc1ccsc1Cn1c(C2CCC2)nnc1N(CCO)Cc1cc(Br)ccc1F ZINC001360966734 1066124399 /nfs/dbraw/zinc/12/43/99/1066124399.db2.gz BNGNHIKNULKTPZ-UHFFFAOYSA-N 0 0 479.419 4.864 20 0 JJADRN Cc1c(Cn2c(C3CCCC3)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)cnn1C ZINC001360966885 1066124543 /nfs/dbraw/zinc/12/45/43/1066124543.db2.gz GFHCOJHOTTZKJQ-FQEVSTJZSA-N 0 0 475.410 4.935 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)c3cccnc3Sc3ccccc3)CC2)cs1 ZINC001442400842 1066124680 /nfs/dbraw/zinc/12/46/80/1066124680.db2.gz BEXZFFLNBIDYAE-UHFFFAOYSA-N 0 0 452.649 4.945 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)c3cnc(Cc4ccccc4F)s3)CC2)cs1 ZINC001442401628 1066124692 /nfs/dbraw/zinc/12/46/92/1066124692.db2.gz JISOQEFMMCHHDF-UHFFFAOYSA-N 0 0 458.628 4.585 20 0 JJADRN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)cs1 ZINC001442401587 1066124755 /nfs/dbraw/zinc/12/47/55/1066124755.db2.gz INTSTOCDAJRUEV-UHFFFAOYSA-N 0 0 456.837 4.815 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC001442403227 1066125262 /nfs/dbraw/zinc/12/52/62/1066125262.db2.gz OFMODMDXBBJVPD-RUZDIDTESA-N 0 0 459.521 4.553 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(C)(C)c1ccccc1 ZINC001360968758 1066125604 /nfs/dbraw/zinc/12/56/04/1066125604.db2.gz YHAULNKDXMFSLL-NZQKXSOJSA-N 0 0 453.652 4.811 20 0 JJADRN Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001360968117 1066125675 /nfs/dbraw/zinc/12/56/75/1066125675.db2.gz UGTMNOWYGVYTQW-LJQANCHMSA-N 0 0 487.645 4.736 20 0 JJADRN CCCCCCN(CCN1CCOCC1)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001442406304 1066125799 /nfs/dbraw/zinc/12/57/99/1066125799.db2.gz ARJUOFMYZQPKOB-UHFFFAOYSA-N 0 0 453.414 4.534 20 0 JJADRN CCc1ccc(NC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)cc1S(N)(=O)=O ZINC001442409540 1066125809 /nfs/dbraw/zinc/12/58/09/1066125809.db2.gz FCCVBPOOWHICRF-QHCPKHFHSA-N 0 0 454.617 4.985 20 0 JJADRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)o1 ZINC001360968784 1066126037 /nfs/dbraw/zinc/12/60/37/1066126037.db2.gz FYMFPBCCHYLSMU-MGPUTAFESA-N 0 0 458.605 4.657 20 0 JJADRN COc1cc(CNC(=O)CCc2nc3cc(Br)ccc3s2)c2ccccc2n1 ZINC001360969455 1066126046 /nfs/dbraw/zinc/12/60/46/1066126046.db2.gz SBMGLIOKSQVCPI-UHFFFAOYSA-N 0 0 456.365 4.865 20 0 JJADRN Cc1nc(C2CCCCC2)sc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001442412095 1066126256 /nfs/dbraw/zinc/12/62/56/1066126256.db2.gz NRADKHOKUMSMQK-UHFFFAOYSA-N 0 0 451.386 4.963 20 0 JJADRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)o1 ZINC001360969520 1066126494 /nfs/dbraw/zinc/12/64/94/1066126494.db2.gz VCPXCNJYEGXCKP-ZQAYVECASA-N 0 0 458.624 4.868 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC001360969661 1066126524 /nfs/dbraw/zinc/12/65/24/1066126524.db2.gz YJBAZNVLXCCPQC-GMAHTHKFSA-N 0 0 456.652 4.960 20 0 JJADRN COc1ccccc1C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC001442425585 1066126822 /nfs/dbraw/zinc/12/68/22/1066126822.db2.gz BZMUOUIDWLMTNJ-LJQANCHMSA-N 0 0 454.368 4.550 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)CCCOc1ccccc1OCC ZINC001360970802 1066126966 /nfs/dbraw/zinc/12/69/66/1066126966.db2.gz QJOVDWFTMHIYHF-UHFFFAOYSA-N 0 0 450.329 4.822 20 0 JJADRN CCOC(=O)c1cc(Br)ccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC001360970953 1066127007 /nfs/dbraw/zinc/12/70/07/1066127007.db2.gz SPGZVBNDRBOSKV-UHFFFAOYSA-N 0 0 451.367 4.992 20 0 JJADRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC001442464335 1066128005 /nfs/dbraw/zinc/12/80/05/1066128005.db2.gz KPZVNYABMGZMCS-UKRRQHHQSA-N 0 0 455.318 4.688 20 0 JJADRN Cc1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)cc1NC(=O)c1ccncc1 ZINC001442467400 1066128545 /nfs/dbraw/zinc/12/85/45/1066128545.db2.gz LZSHYOZGUWBNCN-UHFFFAOYSA-N 0 0 450.296 4.533 20 0 JJADRN Cc1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cnn1CC(C)C ZINC001360972397 1066128532 /nfs/dbraw/zinc/12/85/32/1066128532.db2.gz XJAKPZUMXSTXKX-LJQANCHMSA-N 0 0 470.584 4.624 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001360972862 1066129210 /nfs/dbraw/zinc/12/92/10/1066129210.db2.gz NZJCNUSHNVHWLY-SFHVURJKSA-N 0 0 472.058 4.634 20 0 JJADRN Cc1ccsc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001360973106 1066129651 /nfs/dbraw/zinc/12/96/51/1066129651.db2.gz XHMQMOZVWCYEIL-UHFFFAOYSA-N 0 0 472.058 4.635 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC001442475508 1066130335 /nfs/dbraw/zinc/13/03/35/1066130335.db2.gz RPOGZMRSHSSMSB-MRXNPFEDSA-N 0 0 455.555 4.737 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)Oc1cccc(F)c1 ZINC001360975095 1066131161 /nfs/dbraw/zinc/13/11/61/1066131161.db2.gz NCYMHOXPWNTHNN-ZBFHGGJFSA-N 0 0 453.341 4.568 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)Oc1cccc(F)c1 ZINC001360975093 1066131175 /nfs/dbraw/zinc/13/11/75/1066131175.db2.gz NCYMHOXPWNTHNN-GOEBONIOSA-N 0 0 453.341 4.568 20 0 JJADRN COc1ccc(COCc2cccc(NC(=O)CCC3CN(C(=O)OC(C)(C)C)C3)c2)cc1 ZINC001442498573 1066131463 /nfs/dbraw/zinc/13/14/63/1066131463.db2.gz BRCGQTWYFLHZGR-UHFFFAOYSA-N 0 0 454.567 4.998 20 0 JJADRN O=C(CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccccc1 ZINC001442497408 1066131526 /nfs/dbraw/zinc/13/15/26/1066131526.db2.gz NVNVYZGMCOJCGQ-RUZDIDTESA-N 0 0 453.007 4.985 20 0 JJADRN COc1nsc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1Br ZINC001442507243 1066131995 /nfs/dbraw/zinc/13/19/95/1066131995.db2.gz ZGRREZIWCQNSLU-LLVKDONJSA-N 0 0 450.383 4.896 20 0 JJADRN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001442502381 1066132087 /nfs/dbraw/zinc/13/20/87/1066132087.db2.gz NQFFBWSXHXYFQM-OAHLLOKOSA-N 0 0 459.493 4.803 20 0 JJADRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001442524180 1066132532 /nfs/dbraw/zinc/13/25/32/1066132532.db2.gz GRJCGOULQSVNAN-AVRDEDQJSA-N 0 0 454.368 4.875 20 0 JJADRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001442524200 1066132542 /nfs/dbraw/zinc/13/25/42/1066132542.db2.gz GRJCGOULQSVNAN-PGRDOPGGSA-N 0 0 454.368 4.875 20 0 JJADRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001442524191 1066132616 /nfs/dbraw/zinc/13/26/16/1066132616.db2.gz GRJCGOULQSVNAN-GCJKJVERSA-N 0 0 454.368 4.875 20 0 JJADRN Cc1c(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H](C)c2nccs2)cnn1C ZINC001360976676 1066132728 /nfs/dbraw/zinc/13/27/28/1066132728.db2.gz PKZUIIBLBOSYCW-SFHVURJKSA-N 0 0 493.681 4.941 20 0 JJADRN Cc1ccsc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360976698 1066132761 /nfs/dbraw/zinc/13/27/61/1066132761.db2.gz PUFDQZHUADYUFI-IBGZPJMESA-N 0 0 491.455 4.899 20 0 JJADRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001442527212 1066132947 /nfs/dbraw/zinc/13/29/47/1066132947.db2.gz JFKQWCRCEAFKTF-NVQXNPDNSA-N 0 0 456.586 4.704 20 0 JJADRN COc1ccc(I)c(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC001442527199 1066132964 /nfs/dbraw/zinc/13/29/64/1066132964.db2.gz UAAXXCWFNAUNOS-NSHDSACASA-N 0 0 457.695 4.801 20 0 JJADRN Cc1nnsc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)C1 ZINC001360976989 1066133755 /nfs/dbraw/zinc/13/37/55/1066133755.db2.gz ASHYIYFJSGULKH-UHFFFAOYSA-N 0 0 471.389 4.556 20 0 JJADRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3csc(NC4CCCCC4)n3)ccc21 ZINC001442539572 1066134246 /nfs/dbraw/zinc/13/42/46/1066134246.db2.gz UFVXWIZOTIRVEF-UHFFFAOYSA-N 0 0 453.612 4.963 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001442542720 1066134672 /nfs/dbraw/zinc/13/46/72/1066134672.db2.gz XSPDCWXSVFZBLM-NRFANRHFSA-N 0 0 451.394 4.607 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001360977335 1066134677 /nfs/dbraw/zinc/13/46/77/1066134677.db2.gz MNBXCGJOGVDUJA-LJQANCHMSA-N 0 0 499.587 4.782 20 0 JJADRN Cc1c(Cn2c(N(C)C3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001360977527 1066135152 /nfs/dbraw/zinc/13/51/52/1066135152.db2.gz UAYJGCWEHKCANL-UEFMTQSISA-N 0 0 472.678 4.543 20 0 JJADRN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001360977536 1066135160 /nfs/dbraw/zinc/13/51/60/1066135160.db2.gz UFNDOYGBJWSUGX-LJQANCHMSA-N 0 0 486.016 4.591 20 0 JJADRN Cc1c(Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](C)C2)cnn1CC(C)C ZINC001360977541 1066135223 /nfs/dbraw/zinc/13/52/23/1066135223.db2.gz UNBWYVGPIQMTFR-IBGZPJMESA-N 0 0 454.594 4.832 20 0 JJADRN CC[C@@H](C)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545949752 1066135138 /nfs/dbraw/zinc/13/51/38/1066135138.db2.gz DWLSOWYTIGLWSN-BSWQBHCVSA-N 0 0 460.594 4.563 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(F)F ZINC001442546898 1066135201 /nfs/dbraw/zinc/13/52/01/1066135201.db2.gz WEABDFPBYQCIMZ-OALUTQOASA-N 0 0 454.464 4.913 20 0 JJADRN CC[C@@H](C)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545949755 1066135848 /nfs/dbraw/zinc/13/58/48/1066135848.db2.gz DWLSOWYTIGLWSN-RQBNJVACSA-N 0 0 460.594 4.563 20 0 JJADRN COC(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 ZINC001360978115 1066136104 /nfs/dbraw/zinc/13/61/04/1066136104.db2.gz LTYQMPAWMRZXNR-DEOSSOPVSA-N 0 0 453.922 4.592 20 0 JJADRN COc1ccc(C(=O)C[C@H](C)C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC001442551066 1066136264 /nfs/dbraw/zinc/13/62/64/1066136264.db2.gz UQISLXDEFFQIAI-VLCRHTCISA-N 0 0 458.599 4.685 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CCCN(c2nccs2)CC1)Oc1ccccc1F ZINC001545949787 1066136316 /nfs/dbraw/zinc/13/63/16/1066136316.db2.gz FJLSNOWEIHCZSJ-SFHVURJKSA-N 0 0 458.607 4.571 20 0 JJADRN CC(C)Oc1ncc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl ZINC001442552180 1066136974 /nfs/dbraw/zinc/13/69/74/1066136974.db2.gz XHUSXRAJPCXLHF-OALUTQOASA-N 0 0 451.995 4.916 20 0 JJADRN Cc1ccsc1Cn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C ZINC001360978879 1066137080 /nfs/dbraw/zinc/13/70/80/1066137080.db2.gz FJZWHKPRPMCGFO-IBGZPJMESA-N 0 0 451.640 4.640 20 0 JJADRN Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360978862 1066137120 /nfs/dbraw/zinc/13/71/20/1066137120.db2.gz DTQHAFUAJYGKNI-OALUTQOASA-N 0 0 475.659 4.631 20 0 JJADRN Cc1cccc(NC(=O)c2cnc3c(C)cc(F)cc3c2O)c1C(=O)NCCc1ccccc1 ZINC001442553740 1066137339 /nfs/dbraw/zinc/13/73/39/1066137339.db2.gz MQNDLAPKMWLHPY-UHFFFAOYSA-N 0 0 457.505 4.509 20 0 JJADRN CN(C)c1ccccc1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001442552287 1066137351 /nfs/dbraw/zinc/13/73/51/1066137351.db2.gz XYLFAAIIZWFRLR-UHFFFAOYSA-N 0 0 456.390 4.906 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)Oc1ccccc1F ZINC001545949918 1066137885 /nfs/dbraw/zinc/13/78/85/1066137885.db2.gz HOYPYLNZWQTDAX-MOPGFXCFSA-N 0 0 471.552 4.980 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001360980581 1066138660 /nfs/dbraw/zinc/13/86/60/1066138660.db2.gz BBVKQVROWGPRHY-SFHVURJKSA-N 0 0 458.050 4.887 20 0 JJADRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)C1 ZINC001442567711 1066138980 /nfs/dbraw/zinc/13/89/80/1066138980.db2.gz HZNSVDWVUFXAJR-FDDCHVKYSA-N 0 0 456.608 4.723 20 0 JJADRN CCOCCOc1c(Cl)cccc1NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442573268 1066139606 /nfs/dbraw/zinc/13/96/06/1066139606.db2.gz SKQMVEXMKXQDQA-FMQWLBJXSA-N 0 0 452.979 4.897 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001360981123 1066139443 /nfs/dbraw/zinc/13/94/43/1066139443.db2.gz IETWRYINDKVSSS-FQEVSTJZSA-N 0 0 454.571 4.848 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001360981217 1066139472 /nfs/dbraw/zinc/13/94/72/1066139472.db2.gz MCYDDYVJQAODBP-IBGZPJMESA-N 0 0 478.822 4.907 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001360981495 1066140073 /nfs/dbraw/zinc/14/00/73/1066140073.db2.gz PGPHZDKCSJKCGA-HXUWFJFHSA-N 0 0 452.555 4.698 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001360981713 1066140531 /nfs/dbraw/zinc/14/05/31/1066140531.db2.gz UKWCRRRDBZHCBQ-LJQANCHMSA-N 0 0 471.030 4.513 20 0 JJADRN Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1Cc1cccc(Cl)c1C ZINC001360981869 1066140721 /nfs/dbraw/zinc/14/07/21/1066140721.db2.gz VXVGGMAWZUMKDR-UHFFFAOYSA-N 0 0 459.381 4.500 20 0 JJADRN CC[C@H](C)Sc1ccc(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c(C)c1 ZINC001442586074 1066140824 /nfs/dbraw/zinc/14/08/24/1066140824.db2.gz IMFOKTJNDGAUHV-HJPURHCSSA-N 0 0 452.592 4.800 20 0 JJADRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC001442585620 1066140832 /nfs/dbraw/zinc/14/08/32/1066140832.db2.gz FVBYUZSPNFFNOJ-GOSISDBHSA-N 0 0 456.612 4.941 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC001360982014 1066141161 /nfs/dbraw/zinc/14/11/61/1066141161.db2.gz ZRTQRJJXDUOGJY-GOSISDBHSA-N 0 0 451.567 4.763 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CC2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001360982131 1066141302 /nfs/dbraw/zinc/14/13/02/1066141302.db2.gz BGNAFGVAMHPEBE-SFHVURJKSA-N 0 0 460.022 4.592 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCOC(C)(C)C ZINC001360982362 1066142150 /nfs/dbraw/zinc/14/21/50/1066142150.db2.gz JQRCBWAALQBQNU-UHFFFAOYSA-N 0 0 476.046 4.531 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001360982789 1066142726 /nfs/dbraw/zinc/14/27/26/1066142726.db2.gz VKDXBZFTZMAQIM-DLBZAZTESA-N 0 0 496.015 4.541 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 ZINC001360982550 1066142773 /nfs/dbraw/zinc/14/27/73/1066142773.db2.gz ONFZJPSZZVVPKF-MRXNPFEDSA-N 0 0 494.846 4.700 20 0 JJADRN Cc1c(Cl)cccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)C)CC1 ZINC001360982908 1066143154 /nfs/dbraw/zinc/14/31/54/1066143154.db2.gz YSICBHJSTYYREP-UHFFFAOYSA-N 0 0 488.057 4.674 20 0 JJADRN Cc1c(Cl)cccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C ZINC001360982858 1066143254 /nfs/dbraw/zinc/14/32/54/1066143254.db2.gz XGQOVWFVXNZSJI-FQEVSTJZSA-N 0 0 490.048 4.975 20 0 JJADRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1C(F)(F)F ZINC001360983662 1066143829 /nfs/dbraw/zinc/14/38/29/1066143829.db2.gz UUMGGLRURYGEHI-CHWSQXEVSA-N 0 0 455.274 4.698 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(C)C)C1 ZINC001360983542 1066143844 /nfs/dbraw/zinc/14/38/44/1066143844.db2.gz COYLFYCZAXMLCG-RXVVDRJESA-N 0 0 460.022 4.993 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2cccnc2)nnc1N(C)CCOC(C)(C)C ZINC001360984055 1066144828 /nfs/dbraw/zinc/14/48/28/1066144828.db2.gz LWDSBPGWIHDQQY-UHFFFAOYSA-N 0 0 485.032 4.506 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001360984074 1066144884 /nfs/dbraw/zinc/14/48/84/1066144884.db2.gz MDJXAFPVYLCZOX-IERDGZPVSA-N 0 0 474.049 4.861 20 0 JJADRN CCOCn1nc(C)c(C[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1C ZINC001442609881 1066144974 /nfs/dbraw/zinc/14/49/74/1066144974.db2.gz ONSSGZZZZWZVDC-RTBURBONSA-N 0 0 454.615 4.634 20 0 JJADRN Cc1c([C@@H](C)NC(=O)c2cc(Cl)cc(Br)c2N)cnn1-c1ccc(F)cc1 ZINC001442611402 1066144986 /nfs/dbraw/zinc/14/49/86/1066144986.db2.gz KFQXDUOKSIXLPM-SNVBAGLBSA-N 0 0 451.727 4.809 20 0 JJADRN CC(C)(C)c1nc2cc(NC(=O)c3cc(F)c(F)cc3I)ccc2[nH]1 ZINC001442613759 1066145237 /nfs/dbraw/zinc/14/52/37/1066145237.db2.gz PHONQRUUMJXWLX-UHFFFAOYSA-N 0 0 455.246 4.996 20 0 JJADRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001442616324 1066145247 /nfs/dbraw/zinc/14/52/47/1066145247.db2.gz SOLMVPUUEPQHQV-UHFFFAOYSA-N 0 0 454.596 4.622 20 0 JJADRN CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545950426 1066145285 /nfs/dbraw/zinc/14/52/85/1066145285.db2.gz PWPAJFTXFJJMFM-LEWJYISDSA-N 0 0 457.619 4.500 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1ccnc(OC2CCCC2)c1 ZINC001360984259 1066145702 /nfs/dbraw/zinc/14/57/02/1066145702.db2.gz QNYCFVRWNBZCNZ-UHFFFAOYSA-N 0 0 476.625 4.858 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001360984348 1066145806 /nfs/dbraw/zinc/14/58/06/1066145806.db2.gz TZEXIFUQJMKMRI-CALCHBBNSA-N 0 0 455.006 4.757 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001360984278 1066145832 /nfs/dbraw/zinc/14/58/32/1066145832.db2.gz RBYNYAVOCOCRQC-UHFFFAOYSA-N 0 0 494.606 4.758 20 0 JJADRN O=C(CCc1ccc2ccccc2c1O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001442618440 1066145859 /nfs/dbraw/zinc/14/58/59/1066145859.db2.gz QAGXBVBCJVEMJT-UHFFFAOYSA-N 0 0 451.954 4.898 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001360984512 1066146714 /nfs/dbraw/zinc/14/67/14/1066146714.db2.gz ZIAAPAQXKNFMOQ-GHTZIAJQSA-N 0 0 460.022 4.993 20 0 JJADRN CN(C)c1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001442637422 1066146840 /nfs/dbraw/zinc/14/68/40/1066146840.db2.gz BGSGYKVXJPFWKN-LJQANCHMSA-N 0 0 451.489 4.654 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1)OCC(F)(F)F ZINC001442651127 1066146930 /nfs/dbraw/zinc/14/69/30/1066146930.db2.gz BNVFWBKZYPONFK-UHFFFAOYSA-N 0 0 452.307 4.696 20 0 JJADRN COc1c(C)cnc(CNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1C ZINC001442657151 1066147395 /nfs/dbraw/zinc/14/73/95/1066147395.db2.gz LJEHOCUWLJEYIN-FQEVSTJZSA-N 0 0 453.583 4.582 20 0 JJADRN CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1F ZINC001545950669 1066147530 /nfs/dbraw/zinc/14/75/30/1066147530.db2.gz UCPBZUVPRQSAHN-QWFCFKBJSA-N 0 0 475.609 4.748 20 0 JJADRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001442658252 1066148176 /nfs/dbraw/zinc/14/81/76/1066148176.db2.gz IDODWOMQESPSSU-NNMXDRDESA-N 0 0 452.599 4.920 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C(=O)NCCc2c[nH]c3cc(F)ccc23)(c2ccccc2)C1 ZINC001442658933 1066148214 /nfs/dbraw/zinc/14/82/14/1066148214.db2.gz LDHUWIDIHLBLSU-AREMUKBSSA-N 0 0 451.542 4.545 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccsc1 ZINC001360985625 1066148480 /nfs/dbraw/zinc/14/84/80/1066148480.db2.gz HFVNNPMCBJDKPK-UHFFFAOYSA-N 0 0 481.025 4.989 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c2ccccc21 ZINC001442662493 1066148775 /nfs/dbraw/zinc/14/87/75/1066148775.db2.gz QCUCUHLFDDZFNS-IRLDBZIGSA-N 0 0 454.542 4.872 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001360985790 1066149094 /nfs/dbraw/zinc/14/90/94/1066149094.db2.gz LLRGXCPSFMCGBJ-PMOQBDJRSA-N 0 0 483.657 4.807 20 0 JJADRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1Cc1sccc1Br ZINC001360986046 1066149611 /nfs/dbraw/zinc/14/96/11/1066149611.db2.gz SFHLOJXRZAVEDE-UHFFFAOYSA-N 0 0 499.438 4.837 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC001360986281 1066150886 /nfs/dbraw/zinc/15/08/86/1066150886.db2.gz ZNANSJMQBIIICS-RXVVDRJESA-N 0 0 480.613 4.620 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442677211 1066151304 /nfs/dbraw/zinc/15/13/04/1066151304.db2.gz LIMUIEVKXSMFNO-KRWDZBQOSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1ccc(O)c(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001442677216 1066151337 /nfs/dbraw/zinc/15/13/37/1066151337.db2.gz LIMUIEVKXSMFNO-QGZVFWFLSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1nccn1CCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 ZINC001360986415 1066152209 /nfs/dbraw/zinc/15/22/09/1066152209.db2.gz CNNJSGINCZZMNY-NQIIRXRSSA-N 0 0 473.021 4.509 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC001442700402 1066152528 /nfs/dbraw/zinc/15/25/28/1066152528.db2.gz YPMGMFBVVYLGIG-XFKSJGNHSA-N 0 0 452.517 4.961 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1)c1ccccc1 ZINC001442708988 1066153587 /nfs/dbraw/zinc/15/35/87/1066153587.db2.gz NOZBTDDMHRITRU-SIBVEZHUSA-N 0 0 453.583 4.950 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCCSCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442709682 1066153679 /nfs/dbraw/zinc/15/36/79/1066153679.db2.gz SHBCZGIQZLVIIC-DEOSSOPVSA-N 0 0 452.620 4.857 20 0 JJADRN C[C@H](Nc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)cc1)c1ccccc1 ZINC001442710315 1066154206 /nfs/dbraw/zinc/15/42/06/1066154206.db2.gz RUQARZSMKGMKRX-STTRJGPESA-N 0 0 451.567 4.824 20 0 JJADRN O=C(NCCN1Cc2ccccc2C1)c1ccccc1OCc1cccc(Br)c1 ZINC001442710538 1066154265 /nfs/dbraw/zinc/15/42/65/1066154265.db2.gz YNQHOQXLSQSEHR-UHFFFAOYSA-N 0 0 451.364 4.774 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001360986693 1066154217 /nfs/dbraw/zinc/15/42/17/1066154217.db2.gz JVUWUOMDOOWURM-QRQLOZEOSA-N 0 0 492.089 4.545 20 0 JJADRN CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)CC2 ZINC001442718327 1066154639 /nfs/dbraw/zinc/15/46/39/1066154639.db2.gz MBIJZTISBRLAGX-UHFFFAOYSA-N 0 0 456.539 4.735 20 0 JJADRN COc1ccc(C2(NC(=O)c3ccc4c(n3)CN(C(=O)OC(C)(C)C)CC4)CCCC2)cc1 ZINC001442717183 1066154770 /nfs/dbraw/zinc/15/47/70/1066154770.db2.gz MGWDBTMQKTVMDX-UHFFFAOYSA-N 0 0 451.567 4.583 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2ccon2)n1CCc1nccnc1C ZINC001360986844 1066155313 /nfs/dbraw/zinc/15/53/13/1066155313.db2.gz NMJXFBUKTXANEA-SFHVURJKSA-N 0 0 481.988 4.654 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCC2)n1CCS(=O)(=O)C(C)(C)C ZINC001360986873 1066155644 /nfs/dbraw/zinc/15/56/44/1066155644.db2.gz OESSPOFIDBWIRK-QGZVFWFLSA-N 0 0 483.078 4.890 20 0 JJADRN CC(C)(C)c1ccc(-c2nc(NC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)n[nH]2)cc1 ZINC001442724681 1066155712 /nfs/dbraw/zinc/15/57/12/1066155712.db2.gz UTCDFJACHFWTEL-UHFFFAOYSA-N 0 0 455.946 4.628 20 0 JJADRN CC(C)(C)c1ccc(-c2nc(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)n[nH]2)cc1 ZINC001442724229 1066155736 /nfs/dbraw/zinc/15/57/36/1066155736.db2.gz RNFJJMMXJPUTAZ-UHFFFAOYSA-N 0 0 451.424 4.696 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C2CCC2)n1CCCNC(=O)C(C)C ZINC001360987029 1066156303 /nfs/dbraw/zinc/15/63/03/1066156303.db2.gz QYGJTTZYBOLSES-SFHVURJKSA-N 0 0 462.038 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C2CCC2)n1CCCNC(=O)C(C)C ZINC001360987028 1066156312 /nfs/dbraw/zinc/15/63/12/1066156312.db2.gz QYGJTTZYBOLSES-GOSISDBHSA-N 0 0 462.038 4.839 20 0 JJADRN C[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC001442745378 1066156417 /nfs/dbraw/zinc/15/64/17/1066156417.db2.gz CHGPIRGRXYRXBM-GFCCVEGCSA-N 0 0 454.365 4.566 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC001442751987 1066156864 /nfs/dbraw/zinc/15/68/64/1066156864.db2.gz UAPSJFUNHFXODJ-QGZVFWFLSA-N 0 0 456.539 4.559 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC001442751986 1066156886 /nfs/dbraw/zinc/15/68/86/1066156886.db2.gz UAPSJFUNHFXODJ-KRWDZBQOSA-N 0 0 456.539 4.559 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1CC1(O)CCC1 ZINC001360987182 1066157352 /nfs/dbraw/zinc/15/73/52/1066157352.db2.gz UMLBEAOTYVYWSZ-FUHWJXTLSA-N 0 0 451.036 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)c1ccccn1 ZINC001360987157 1066157387 /nfs/dbraw/zinc/15/73/87/1066157387.db2.gz UAGUYGFSIQAAJA-RTBURBONSA-N 0 0 499.059 4.761 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)C)n1CCC1(O)CCOCC1 ZINC001360987222 1066157610 /nfs/dbraw/zinc/15/76/10/1066157610.db2.gz VCJXYDXZMWEHBQ-LJQANCHMSA-N 0 0 465.038 4.712 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 ZINC001442761544 1066157830 /nfs/dbraw/zinc/15/78/30/1066157830.db2.gz WJZHJWMWXMCJTH-UHFFFAOYSA-N 0 0 451.910 4.874 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H]1CCOC1 ZINC001360987268 1066158051 /nfs/dbraw/zinc/15/80/51/1066158051.db2.gz WLWCXAQPPOOFQW-VAMGGRTRSA-N 0 0 463.022 4.588 20 0 JJADRN CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001442762596 1066158211 /nfs/dbraw/zinc/15/82/11/1066158211.db2.gz UXDSZAVDBREQJX-QHCPKHFHSA-N 0 0 457.043 4.590 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC(C)(C)C)n1CC[C@H]1COCCO1 ZINC001360987286 1066158328 /nfs/dbraw/zinc/15/83/28/1066158328.db2.gz XBVYYLUEPGEWTE-QUCCMNQESA-N 0 0 465.038 4.976 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2ccsc2)n1CC1(O)CCOCC1 ZINC001360987402 1066158367 /nfs/dbraw/zinc/15/83/67/1066158367.db2.gz XIJDSUGGHRURLT-GOSISDBHSA-N 0 0 491.057 4.928 20 0 JJADRN COCCN(CCCc1ccccc1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001442765575 1066158619 /nfs/dbraw/zinc/15/86/19/1066158619.db2.gz KQDBDFKHMXOGCL-UHFFFAOYSA-N 0 0 458.624 4.763 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001442771142 1066159015 /nfs/dbraw/zinc/15/90/15/1066159015.db2.gz CBEQLFNQPBIDFE-ZWKOTPCHSA-N 0 0 455.640 4.516 20 0 JJADRN O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001442771246 1066159019 /nfs/dbraw/zinc/15/90/19/1066159019.db2.gz VIQKJCGPAHEPRM-KRWDZBQOSA-N 0 0 456.974 4.617 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001442768461 1066159037 /nfs/dbraw/zinc/15/90/37/1066159037.db2.gz OXALHJOJZPRSFQ-QFIPXVFZSA-N 0 0 458.002 4.646 20 0 JJADRN Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c(C)c1 ZINC001442768513 1066159045 /nfs/dbraw/zinc/15/90/45/1066159045.db2.gz PTOXKOPYOANLEA-UHFFFAOYSA-N 0 0 458.967 4.566 20 0 JJADRN CN(C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001360988501 1066159062 /nfs/dbraw/zinc/15/90/62/1066159062.db2.gz HBVNEPDHBZXUSI-JOCHJYFZSA-N 0 0 454.448 4.560 20 0 JJADRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001442768709 1066159050 /nfs/dbraw/zinc/15/90/50/1066159050.db2.gz RJMYOVMMWQFJMK-HXUWFJFHSA-N 0 0 457.640 4.556 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CC(F)(F)F ZINC001360989161 1066159483 /nfs/dbraw/zinc/15/94/83/1066159483.db2.gz ABJRPZIBCNLPQA-HNNXBMFYSA-N 0 0 456.900 4.584 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccn(C)n1 ZINC001360989316 1066160513 /nfs/dbraw/zinc/16/05/13/1066160513.db2.gz CLAZBYYRBUYDRL-ZYSHUDEJSA-N 0 0 457.022 4.952 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1C[C@@H]1COCCO1 ZINC001360989446 1066161176 /nfs/dbraw/zinc/16/11/76/1066161176.db2.gz FIZAENSSXXJRGQ-MYKSZAICSA-N 0 0 463.022 4.586 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1CCCC1 ZINC001360989548 1066162110 /nfs/dbraw/zinc/16/21/10/1066162110.db2.gz GXQLIYQXKOBEKT-UYAOXDASSA-N 0 0 474.049 4.970 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@]1(C)CCCS1 ZINC001360989551 1066162160 /nfs/dbraw/zinc/16/21/60/1066162160.db2.gz HBRSEIKQKNEJRS-QZTZHPFYSA-N 0 0 492.089 4.641 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCCN1CCOCC1 ZINC001360989664 1066162847 /nfs/dbraw/zinc/16/28/47/1066162847.db2.gz IWKCNQHRHLDLDR-FGZHOGPDSA-N 0 0 490.092 4.893 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H]2C)n1CC1CCS(=O)(=O)CC1 ZINC001360989713 1066163121 /nfs/dbraw/zinc/16/31/21/1066163121.db2.gz JTGDGNDXQKQXSS-MSOLQXFVSA-N 0 0 481.062 4.502 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1CC(=O)NCC(F)F ZINC001360989743 1066163495 /nfs/dbraw/zinc/16/34/95/1066163495.db2.gz KGMFYEHQRJCIAC-IAOVAPTHSA-N 0 0 483.991 4.694 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H]2C(C)C)n1CCNC(=O)C1CC1 ZINC001360989858 1066164188 /nfs/dbraw/zinc/16/41/88/1066164188.db2.gz MAIWJIJMHWEKJE-NQIIRXRSSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCCCCO ZINC001360989868 1066164212 /nfs/dbraw/zinc/16/42/12/1066164212.db2.gz MCPJFHWHICOZLH-UGKGYDQZSA-N 0 0 487.048 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCCCCO ZINC001360989865 1066164225 /nfs/dbraw/zinc/16/42/25/1066164225.db2.gz MCPJFHWHICOZLH-DENIHFKCSA-N 0 0 487.048 4.926 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCCCC2)n1CC1([S@](C)=O)CC1 ZINC001360990091 1066164887 /nfs/dbraw/zinc/16/48/87/1066164887.db2.gz PVAINVUUZLLXOO-OKXSDPAFSA-N 0 0 465.063 4.980 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(=O)N(C)C ZINC001360990054 1066165155 /nfs/dbraw/zinc/16/51/55/1066165155.db2.gz PILUWDGGSAMRHT-ZWKOTPCHSA-N 0 0 462.038 4.649 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCCOCC(F)F ZINC001360990068 1066165606 /nfs/dbraw/zinc/16/56/06/1066165606.db2.gz PNZFOGYMEUFBBH-KOSHJBKYSA-N 0 0 499.002 4.977 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(=O)NCC1CC1 ZINC001360990105 1066165799 /nfs/dbraw/zinc/16/57/99/1066165799.db2.gz PWWUFSQZCWJVFX-SJLPKXTDSA-N 0 0 496.002 4.696 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccn(C)n1 ZINC001360990135 1066165815 /nfs/dbraw/zinc/16/58/15/1066165815.db2.gz QDMWZOSYDZMKDN-GOSISDBHSA-N 0 0 475.037 4.721 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CC(C)C ZINC001360990112 1066165818 /nfs/dbraw/zinc/16/58/18/1066165818.db2.gz PXZLPOTVAHGGQZ-SFHVURJKSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001360990175 1066166288 /nfs/dbraw/zinc/16/62/88/1066166288.db2.gz QRGSHAWBKAAZIJ-IRFCIJBXSA-N 0 0 474.049 4.839 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001360990209 1066166553 /nfs/dbraw/zinc/16/65/53/1066166553.db2.gz RAYYNOUFTLDWDZ-LCLWPZTBSA-N 0 0 499.002 4.710 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CCC(F)(F)CC1 ZINC001360990313 1066167214 /nfs/dbraw/zinc/16/72/14/1066167214.db2.gz SUHJIDIHFOPVSC-SJLPKXTDSA-N 0 0 496.002 4.825 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCn1cncn1 ZINC001360990293 1066167299 /nfs/dbraw/zinc/16/72/99/1066167299.db2.gz SEANUJRDBDZYPG-RBUKOAKNSA-N 0 0 472.037 4.852 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001360990430 1066167483 /nfs/dbraw/zinc/16/74/83/1066167483.db2.gz VMEMUUZQHLJGDP-ZEYPLWLESA-N 0 0 490.092 4.891 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CC[S@](=O)C(C)(C)C ZINC001360990565 1066168214 /nfs/dbraw/zinc/16/82/14/1066168214.db2.gz XLFQTVQLCPBORB-QZNUFANNSA-N 0 0 497.105 4.851 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC(C)C ZINC001360990582 1066168230 /nfs/dbraw/zinc/16/82/30/1066168230.db2.gz XOUZLMBPMGQRPT-OALUTQOASA-N 0 0 462.038 4.826 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCCCCO ZINC001360990600 1066168456 /nfs/dbraw/zinc/16/84/56/1066168456.db2.gz XWNKDNCUYBAEAI-OALUTQOASA-N 0 0 465.038 4.855 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCCO1 ZINC001360991245 1066169450 /nfs/dbraw/zinc/16/94/50/1066169450.db2.gz AVHWOLACHGKXMH-YOUFYPILSA-N 0 0 463.022 4.871 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(Nc2cnn(C)c2)n1CCCOC(F)F ZINC001360991437 1066169772 /nfs/dbraw/zinc/16/97/72/1066169772.db2.gz CKXCNKYGDNPHFG-AWEZNQCLSA-N 0 0 454.909 4.795 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCC(C)(F)F ZINC001360991464 1066170036 /nfs/dbraw/zinc/17/00/36/1066170036.db2.gz CQFMIGWIVHLHGF-MRXNPFEDSA-N 0 0 481.975 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1CCc1ccccn1 ZINC001360991850 1066170820 /nfs/dbraw/zinc/17/08/20/1066170820.db2.gz FZJIKFSLJYOCKU-PMACEKPBSA-N 0 0 470.017 4.941 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1C1CC1 ZINC001360992005 1066171024 /nfs/dbraw/zinc/17/10/24/1066171024.db2.gz IISYLAQIAFQGEP-ROUUACIJSA-N 0 0 460.022 4.716 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1ccn(C)n1 ZINC001360992508 1066171858 /nfs/dbraw/zinc/17/18/58/1066171858.db2.gz OXUNEBKIHIXXEK-KZNAEPCWSA-N 0 0 475.062 4.800 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001360992710 1066172313 /nfs/dbraw/zinc/17/23/13/1066172313.db2.gz RSEFFADDSQCSCW-PMEOABABSA-N 0 0 497.105 4.849 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSC[C@@H]2C)n1C[C@H]1NC(=O)CC1(C)C ZINC001360992794 1066172532 /nfs/dbraw/zinc/17/25/32/1066172532.db2.gz UTYOSAIGCBYXGB-YQVWRLOYSA-N 0 0 492.089 4.545 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCCOCC2)n1C[C@@H]1CCOC[C@H]1C ZINC001360993046 1066172926 /nfs/dbraw/zinc/17/29/26/1066172926.db2.gz XQCRRHLOVKMHLC-AQNXPRMDSA-N 0 0 463.022 4.588 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCCO1 ZINC001360993110 1066173106 /nfs/dbraw/zinc/17/31/06/1066173106.db2.gz YXDUKDPVIRLOTQ-KBAYOESNSA-N 0 0 488.938 4.635 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001360993106 1066173121 /nfs/dbraw/zinc/17/31/21/1066173121.db2.gz YWLMRNPKWFIFNB-OTWHNJEPSA-N 0 0 465.063 4.914 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCSCC2)n1C[C@@H]1CCOC[C@H]1C ZINC001360993107 1066173141 /nfs/dbraw/zinc/17/31/41/1066173141.db2.gz YWLMRNPKWFIFNB-QRVBRYPASA-N 0 0 465.063 4.914 20 0 JJADRN CC(C)(C)C(=O)c1ccsc1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001360993612 1066173320 /nfs/dbraw/zinc/17/33/20/1066173320.db2.gz LNKNRVCOUCWNDX-UHFFFAOYSA-N 0 0 455.349 4.637 20 0 JJADRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1(C)CCC1 ZINC001360993154 1066173365 /nfs/dbraw/zinc/17/33/65/1066173365.db2.gz ZKZLZXSYTGWAOV-ROUUACIJSA-N 0 0 460.022 4.545 20 0 JJADRN CN(C(=O)c1ccc(Br)cc1C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1=O ZINC001360993425 1066173396 /nfs/dbraw/zinc/17/33/96/1066173396.db2.gz HEVLDMYZPXRQJS-KRWDZBQOSA-N 0 0 455.274 4.736 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCC(C)C)CC2)c(C)o1 ZINC001360994544 1066173769 /nfs/dbraw/zinc/17/37/69/1066173769.db2.gz PYIHJANRAZHNAR-UHFFFAOYSA-N 0 0 485.579 4.756 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3F)CC2)c(C)o1 ZINC001360994478 1066173819 /nfs/dbraw/zinc/17/38/19/1066173819.db2.gz NJAHXKDBLSTUQI-IBGZPJMESA-N 0 0 497.615 4.646 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3nnc(C(C)C)n3CCCCOCc3ccccc3)CC2)c(C)o1 ZINC001360994754 1066174093 /nfs/dbraw/zinc/17/40/93/1066174093.db2.gz ZIDZQRZHTLFBTG-UHFFFAOYSA-N 0 0 479.625 4.571 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1C ZINC001360995758 1066174812 /nfs/dbraw/zinc/17/48/12/1066174812.db2.gz NNXBLLALYCBPBC-FQEVSTJZSA-N 0 0 459.468 4.932 20 0 JJADRN Cc1cc([C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2Cl)ccc1F ZINC001360995802 1066174814 /nfs/dbraw/zinc/17/48/14/1066174814.db2.gz POQJOQVALFIJFO-JWQCQUIFSA-N 0 0 452.957 4.894 20 0 JJADRN CCCCN(C(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@H](C)c1ccccc1 ZINC001360996565 1066175207 /nfs/dbraw/zinc/17/52/07/1066175207.db2.gz MUTHZLBVPAUQIE-QGZVFWFLSA-N 0 0 459.384 4.955 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC001360996472 1066175226 /nfs/dbraw/zinc/17/52/26/1066175226.db2.gz KRVIBDOENXEOGS-KRWDZBQOSA-N 0 0 452.986 4.857 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCCOCC2)c(C)o1 ZINC001360997120 1066175465 /nfs/dbraw/zinc/17/54/65/1066175465.db2.gz APSSXDBHCPKVDJ-AREMUKBSSA-N 0 0 452.599 4.587 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)c(C)o1 ZINC001360997364 1066175997 /nfs/dbraw/zinc/17/59/97/1066175997.db2.gz GLHBDFVHROBIJD-RUZDIDTESA-N 0 0 473.017 4.705 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCSCC2)c(C)o1 ZINC001360997497 1066176147 /nfs/dbraw/zinc/17/61/47/1066176147.db2.gz IOTLGQINJCHZTK-NLFFAJNJSA-N 0 0 470.639 4.706 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C(C)C)C2)c(C)o1 ZINC001360997488 1066176150 /nfs/dbraw/zinc/17/61/50/1066176150.db2.gz IMEWPWRLIMLOHA-AUSIDOKSSA-N 0 0 476.046 4.689 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 ZINC001360997669 1066176402 /nfs/dbraw/zinc/17/64/02/1066176402.db2.gz MEQPMRQKEGAEIJ-YADARESESA-N 0 0 458.006 4.983 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCSC[C@@H]2C)c(C)o1 ZINC001360997510 1066176413 /nfs/dbraw/zinc/17/64/13/1066176413.db2.gz IZPKSIBNHHKJPG-WHEQGISXSA-N 0 0 464.994 4.797 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccccn2)c(C)o1 ZINC001360997534 1066176417 /nfs/dbraw/zinc/17/64/17/1066176417.db2.gz JLLVGGHLZPMILX-XMMPIXPASA-N 0 0 496.409 4.857 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC001360997542 1066176423 /nfs/dbraw/zinc/17/64/23/1066176423.db2.gz JORDJBDLFHREHM-HFJWLAOPSA-N 0 0 481.597 4.673 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)c(C)o1 ZINC001360997725 1066176605 /nfs/dbraw/zinc/17/66/05/1066176605.db2.gz NEEVAUUISIVKAA-HXUWFJFHSA-N 0 0 481.341 4.671 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc(Br)c3)nnc2N2CCS[C@@H](C)C2)c(C)o1 ZINC001360997851 1066176615 /nfs/dbraw/zinc/17/66/15/1066176615.db2.gz PEYNLWZQWGIZBQ-NYHFZMIOSA-N 0 0 491.455 4.767 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOc2ccccc2F)c(C)o1 ZINC001360997807 1066176629 /nfs/dbraw/zinc/17/66/29/1066176629.db2.gz OORMNGRILRJXTK-VWLOTQADSA-N 0 0 499.974 4.765 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N2CCC(N(C)c3ccccc3)CC2)c(C)o1 ZINC001360997929 1066176774 /nfs/dbraw/zinc/17/67/74/1066176774.db2.gz QESXXEJMFPKDBR-SANMLTNESA-N 0 0 451.615 4.624 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N2CCC(N(C)c3ccccc3)CC2)c(C)o1 ZINC001360997928 1066176810 /nfs/dbraw/zinc/17/68/10/1066176810.db2.gz QESXXEJMFPKDBR-AREMUKBSSA-N 0 0 451.615 4.624 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(C(C)C)nnc2N(C)Cc2cccc(Br)c2)c(C)o1 ZINC001360998168 1066177319 /nfs/dbraw/zinc/17/73/19/1066177319.db2.gz WEEMTCUKTYWJLM-QFIPXVFZSA-N 0 0 461.404 4.918 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)OC2CCCC2)c(C)o1 ZINC001360998101 1066177356 /nfs/dbraw/zinc/17/73/56/1066177356.db2.gz UMEOHVAWSDFXBK-AVRWGWEMSA-N 0 0 472.561 4.985 20 0 JJADRN Cc1cc(C(=O)NC2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)c(C)o1 ZINC001360998360 1066177766 /nfs/dbraw/zinc/17/77/66/1066177766.db2.gz ZSLJLQXFVCYGTP-OAQYLSRUSA-N 0 0 457.619 4.565 20 0 JJADRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(-c3cnn(C)c3)o2)cc1OC ZINC001360998744 1066177994 /nfs/dbraw/zinc/17/79/94/1066177994.db2.gz AOUQJTIKFABVLE-UHFFFAOYSA-N 0 0 451.548 4.644 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)o1 ZINC001360998576 1066178000 /nfs/dbraw/zinc/17/80/00/1066178000.db2.gz DPEYEQSANNBNJU-AFMDSPMNSA-N 0 0 484.645 4.875 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)c(C)o1 ZINC001360999027 1066178006 /nfs/dbraw/zinc/17/80/06/1066178006.db2.gz ITQPDBPHSCLVEI-XMMPIXPASA-N 0 0 457.525 4.646 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(-c3ccccc3C)nnc2N(C)Cc2cnc(C)s2)c(C)o1 ZINC001361000145 1066178386 /nfs/dbraw/zinc/17/83/86/1066178386.db2.gz RUFCENRIVUSJHK-XMMPIXPASA-N 0 0 451.596 4.772 20 0 JJADRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC001361000828 1066178782 /nfs/dbraw/zinc/17/87/82/1066178782.db2.gz AZIDUWUIVKELOA-KDOFPFPSSA-N 0 0 459.686 4.552 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CCCc3ccccc3)nnc2N(C)CCC(F)(F)F)c(C)o1 ZINC001361002385 1066179538 /nfs/dbraw/zinc/17/95/38/1066179538.db2.gz DISAFILMXHKADO-QHCPKHFHSA-N 0 0 464.532 4.960 20 0 JJADRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC1CCC1)CC(F)(F)F ZINC001361002428 1066179554 /nfs/dbraw/zinc/17/95/54/1066179554.db2.gz ROPYXCWLSUQYQU-QFBILLFUSA-N 0 0 458.521 4.676 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC3CCCC3)nnc2N2CCC(OC(C)(C)C)CC2)c(C)o1 ZINC001361002721 1066179706 /nfs/dbraw/zinc/17/97/06/1066179706.db2.gz GZIUADVZHSQPFU-AREMUKBSSA-N 0 0 458.647 4.912 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 ZINC001361002758 1066179776 /nfs/dbraw/zinc/17/97/76/1066179776.db2.gz HOCMUZORQGYILG-WGDIFIGCSA-N 0 0 454.590 4.998 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(N3CCN([C@H](C)c4ccsc4)CC3)nnc2C(C)(C)C)c(C)o1 ZINC001361002978 1066179991 /nfs/dbraw/zinc/17/99/91/1066179991.db2.gz LVNINHYOWHSXGF-IQGLISFBSA-N 0 0 471.671 4.638 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)c(C)o1 ZINC001361002956 1066180013 /nfs/dbraw/zinc/18/00/13/1066180013.db2.gz LDFOUDRSXYOGBS-XMMPIXPASA-N 0 0 487.442 4.790 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CCC3(C2)CCC(F)(F)CC3)c(C)o1 ZINC001361003018 1066180257 /nfs/dbraw/zinc/18/02/57/1066180257.db2.gz MRXJCVWRIKZUHD-QFIPXVFZSA-N 0 0 450.574 5.000 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(Cc3ccncc3)nnc2N(C)CCOc2ccccc2Cl)c(C)o1 ZINC001361003297 1066180684 /nfs/dbraw/zinc/18/06/84/1066180684.db2.gz RWBJZLMQXVCWOJ-AREMUKBSSA-N 0 0 496.011 4.550 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@@H](Oc3ccccc3Cl)C2)c(C)o1 ZINC001361003685 1066181445 /nfs/dbraw/zinc/18/14/45/1066181445.db2.gz ZEUJSSVPRVTAKF-CLOONOSVSA-N 0 0 473.017 4.905 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(OCCC(C)C)CC2)c1 ZINC001361004396 1066182474 /nfs/dbraw/zinc/18/24/74/1066182474.db2.gz MVIOBKGMIBEXAW-QFIPXVFZSA-N 0 0 467.658 4.658 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)CN2CCOCC2)c1 ZINC001361004737 1066183021 /nfs/dbraw/zinc/18/30/21/1066183021.db2.gz RWDNQKUNRKIAAX-NRFANRHFSA-N 0 0 497.087 4.900 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(F)c2OC(F)(F)F)c(Br)cc1F ZINC001361005529 1066184142 /nfs/dbraw/zinc/18/41/42/1066184142.db2.gz SIZLNOHYADPTSK-UHFFFAOYSA-N 0 0 454.145 4.665 20 0 JJADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC001361006728 1066185241 /nfs/dbraw/zinc/18/52/41/1066185241.db2.gz WGBQVXKRPJGVGD-UUOWRZLLSA-N 0 0 456.608 4.607 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC001361007096 1066185776 /nfs/dbraw/zinc/18/57/76/1066185776.db2.gz DWSFJMWTTASJKF-SFHVURJKSA-N 0 0 479.591 4.874 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361007074 1066185785 /nfs/dbraw/zinc/18/57/85/1066185785.db2.gz DPNHUYTZJSZFFJ-MZYLBHOOSA-N 0 0 483.657 4.778 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CC(C)C)C(=O)C2)c1 ZINC001361007092 1066185808 /nfs/dbraw/zinc/18/58/08/1066185808.db2.gz DTMDBAJHEGOQEQ-GZGNHOFSSA-N 0 0 481.685 4.613 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001361007396 1066186516 /nfs/dbraw/zinc/18/65/16/1066186516.db2.gz KBWNQDDEDAYLER-NQIIRXRSSA-N 0 0 493.574 4.527 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCC(F)(F)F)c1 ZINC001361007406 1066187034 /nfs/dbraw/zinc/18/70/34/1066187034.db2.gz KKCBFRKMKZDFBU-IBGZPJMESA-N 0 0 487.574 4.953 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001361007933 1066187529 /nfs/dbraw/zinc/18/75/29/1066187529.db2.gz DPKFAQKCHOQSJN-UHFFFAOYSA-N 0 0 476.522 4.713 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCNC(=O)C1CCC1 ZINC001361008062 1066188150 /nfs/dbraw/zinc/18/81/50/1066188150.db2.gz HFCFUFYKOTVSIT-OAQYLSRUSA-N 0 0 493.574 4.638 20 0 JJADRN Cc1cccc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001361008196 1066188730 /nfs/dbraw/zinc/18/87/30/1066188730.db2.gz VKIUQDSZUYBROS-FCEUIQTBSA-N 0 0 469.630 4.735 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001361008415 1066189371 /nfs/dbraw/zinc/18/93/71/1066189371.db2.gz MLQBXXPZJBZRSY-UHFFFAOYSA-N 0 0 465.564 4.646 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC001361008470 1066189722 /nfs/dbraw/zinc/18/97/22/1066189722.db2.gz XKTAATKMCUKIMP-QFBILLFUSA-N 0 0 462.520 4.630 20 0 JJADRN Cc1cccc([C@@H](C)Cn2c(N(C)CC3CC(F)(F)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001361008464 1066189760 /nfs/dbraw/zinc/18/97/60/1066189760.db2.gz XJDCDRRDXMXMJH-CYFREDJKSA-N 0 0 462.585 4.912 20 0 JJADRN Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001361008581 1066189840 /nfs/dbraw/zinc/18/98/40/1066189840.db2.gz PAONEPHYXFTUMG-PXNSSMCTSA-N 0 0 479.547 4.798 20 0 JJADRN C[C@@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc(Br)c1 ZINC001361009359 1066191658 /nfs/dbraw/zinc/19/16/58/1066191658.db2.gz KPRTVRGJJLLAOV-SNVBAGLBSA-N 0 0 451.670 4.815 20 0 JJADRN Cc1cc(C)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361010385 1066192632 /nfs/dbraw/zinc/19/26/32/1066192632.db2.gz BYNJQDQICGEXHV-JTHBVZDNSA-N 0 0 483.657 4.987 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CCOCC2)c(C)c1 ZINC001361010335 1066192695 /nfs/dbraw/zinc/19/26/95/1066192695.db2.gz BCWLTBRNTCJQLR-UHFFFAOYSA-N 0 0 486.458 4.882 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Br)cc(OC(C)C)c2)c1 ZINC001361010389 1066192759 /nfs/dbraw/zinc/19/27/59/1066192759.db2.gz QDIZAWHSZIXVAC-UHFFFAOYSA-N 0 0 451.386 4.855 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC(N)=O)c(C)c1 ZINC001361011072 1066193287 /nfs/dbraw/zinc/19/32/87/1066193287.db2.gz HQSAWJSNJVPGHH-DNVCBOLYSA-N 0 0 465.667 4.805 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC(N)=O)c(C)c1 ZINC001361011073 1066193443 /nfs/dbraw/zinc/19/34/43/1066193443.db2.gz HQSAWJSNJVPGHH-HNAYVOBHSA-N 0 0 465.667 4.805 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC001361011206 1066194030 /nfs/dbraw/zinc/19/40/30/1066194030.db2.gz LQRSSHUJUHMZBL-IRXDYDNUSA-N 0 0 458.404 4.623 20 0 JJADRN Cc1cc(C)c(Cn2c(-c3cccn3C)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001361011672 1066194756 /nfs/dbraw/zinc/19/47/56/1066194756.db2.gz ZLTQJDFJINHVPH-VXKWHMMOSA-N 0 0 492.668 4.997 20 0 JJADRN Cc1nc(C)c(CCn2c(C(C)C)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC001361011796 1066195478 /nfs/dbraw/zinc/19/54/78/1066195478.db2.gz DUJYUPIKZUZATH-UHFFFAOYSA-N 0 0 454.644 4.718 20 0 JJADRN Cc1cc(C)c(Cn2c(CN3CCCC3=O)nnc2N(Cc2cccs2)C(C)C)c(C)c1 ZINC001361011879 1066195581 /nfs/dbraw/zinc/19/55/81/1066195581.db2.gz HSVICALMMCYXJQ-UHFFFAOYSA-N 0 0 451.640 4.851 20 0 JJADRN Cc1c(CC(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)nnn1-c1ccccc1 ZINC001361012831 1066198129 /nfs/dbraw/zinc/19/81/29/1066198129.db2.gz RVXCWLMGUHTYHY-UHFFFAOYSA-N 0 0 459.937 4.687 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2)c(C)c1 ZINC001361013972 1066198830 /nfs/dbraw/zinc/19/88/30/1066198830.db2.gz BKLNMCOTHVJGHQ-JOCHJYFZSA-N 0 0 478.666 4.550 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(O)CCCCCC2)c(C)c1 ZINC001361013978 1066198959 /nfs/dbraw/zinc/19/89/59/1066198959.db2.gz BQEAGUKKLPLUSL-UHFFFAOYSA-N 0 0 455.647 4.562 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C2CC(C(C)(C)C)C2)c(C)c1 ZINC001361014073 1066199525 /nfs/dbraw/zinc/19/95/25/1066199525.db2.gz FRSAOBDECMDZFO-MWXLCCTBSA-N 0 0 453.631 4.779 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2ccccn2)c(C)c1 ZINC001361014102 1066199544 /nfs/dbraw/zinc/19/95/44/1066199544.db2.gz GNDBTURBFIECSC-QFIPXVFZSA-N 0 0 490.652 4.893 20 0 JJADRN Cc1ccsc1CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001361014084 1066199565 /nfs/dbraw/zinc/19/95/65/1066199565.db2.gz FYPBBWRWVGUJQI-UHFFFAOYSA-N 0 0 474.634 4.953 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)c(C)c1 ZINC001361014113 1066200140 /nfs/dbraw/zinc/20/01/40/1066200140.db2.gz GUQFBZHWKVDMJX-URXFXBBRSA-N 0 0 453.631 4.607 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCCC2(C)C)c(C)c1 ZINC001361014197 1066200147 /nfs/dbraw/zinc/20/01/47/1066200147.db2.gz JXICLLZKCCPCJN-HHHXNRCGSA-N 0 0 495.693 4.872 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@]2(C)CCCS2)cs1 ZINC001361014271 1066200653 /nfs/dbraw/zinc/20/06/53/1066200653.db2.gz LKXLVTYRAHMUSC-VWLOTQADSA-N 0 0 498.722 4.920 20 0 JJADRN Cc1cc(C)cc(CCn2c(-c3ccc[nH]3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC001361014524 1066201136 /nfs/dbraw/zinc/20/11/36/1066201136.db2.gz FBLLOYKTJXUGJE-HSZRJFAPSA-N 0 0 461.532 4.662 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC001361014538 1066201368 /nfs/dbraw/zinc/20/13/68/1066201368.db2.gz PKMVLKJFCAYFRO-NHCUHLMSSA-N 0 0 455.647 4.680 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccsc2)c(C)c1 ZINC001361014517 1066201379 /nfs/dbraw/zinc/20/13/79/1066201379.db2.gz PFEIKNWIGDMVFG-AREMUKBSSA-N 0 0 483.682 4.836 20 0 JJADRN Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2CCCCO2)c(C)c1 ZINC001361014723 1066201733 /nfs/dbraw/zinc/20/17/33/1066201733.db2.gz TUPTWWMLTNRSKK-PKTZIBPZSA-N 0 0 483.657 4.522 20 0 JJADRN Cc1ncc(Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC001361014888 1066202195 /nfs/dbraw/zinc/20/21/95/1066202195.db2.gz VUQSAKDTDIDNFJ-UHFFFAOYSA-N 0 0 480.663 4.744 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CCCC2(C)C)c1 ZINC001361017210 1066205622 /nfs/dbraw/zinc/20/56/22/1066205622.db2.gz MHGPUPWNHZKTBO-NJDAHSKKSA-N 0 0 476.687 4.558 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CCC(C)CC3)n2Cc2ncnn2C(C)(C)C)c1 ZINC001361017843 1066207518 /nfs/dbraw/zinc/20/75/18/1066207518.db2.gz DJZMQTJRSMFQRH-UHFFFAOYSA-N 0 0 465.646 4.884 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C3CC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361018511 1066207840 /nfs/dbraw/zinc/20/78/40/1066207840.db2.gz OHRJBVVDCMPQQC-FQEVSTJZSA-N 0 0 469.630 4.720 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC001361020269 1066210596 /nfs/dbraw/zinc/21/05/96/1066210596.db2.gz SEXRFIGMYJHWRA-OAQYLSRUSA-N 0 0 452.913 4.984 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001361020453 1066210650 /nfs/dbraw/zinc/21/06/50/1066210650.db2.gz WZMXVZACLKXBMD-HXUWFJFHSA-N 0 0 450.970 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001361020669 1066211272 /nfs/dbraw/zinc/21/12/72/1066211272.db2.gz COXJGMGIWUZRBM-AUSIDOKSSA-N 0 0 455.628 4.628 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2CCSC2)c1 ZINC001361020885 1066211868 /nfs/dbraw/zinc/21/18/68/1066211868.db2.gz LOHIDKQMSQTXFD-OALUTQOASA-N 0 0 457.669 4.923 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)s1 ZINC001361021131 1066213061 /nfs/dbraw/zinc/21/30/61/1066213061.db2.gz QUOFOYWKQJDGLB-UHFFFAOYSA-N 0 0 479.654 4.582 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC2(C)COC2)c1 ZINC001361021164 1066213978 /nfs/dbraw/zinc/21/39/78/1066213978.db2.gz SAAFUARHNCWLPM-UHFFFAOYSA-N 0 0 481.544 4.622 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2C[C@](C)(O)c2ccco2)c1 ZINC001361022035 1066215626 /nfs/dbraw/zinc/21/56/26/1066215626.db2.gz DGYIJRKXOYXJGQ-SANMLTNESA-N 0 0 452.599 4.991 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361021925 1066215851 /nfs/dbraw/zinc/21/58/51/1066215851.db2.gz ALRHVXLYRDNEMK-QGZVFWFLSA-N 0 0 493.496 4.747 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2C[C@@H]2CSCCS2)c1 ZINC001361022135 1066216383 /nfs/dbraw/zinc/21/63/83/1066216383.db2.gz HDOPMTCJZIUFEB-JOCHJYFZSA-N 0 0 476.712 4.575 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2CCCN2CCCCCC2=O)c1 ZINC001361022242 1066216965 /nfs/dbraw/zinc/21/69/65/1066216965.db2.gz JYVKWQDFCDZBGM-UHFFFAOYSA-N 0 0 489.611 4.748 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2Cc2nc(C(C)C)cs2)c1 ZINC001361022355 1066217354 /nfs/dbraw/zinc/21/73/54/1066217354.db2.gz NWDCFIQWDCEUEA-UHFFFAOYSA-N 0 0 452.584 4.727 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001361022366 1066217957 /nfs/dbraw/zinc/21/79/57/1066217957.db2.gz ODBOEFBHAIMXQT-NDEPHWFRSA-N 0 0 477.653 4.879 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(C)CCc3cnccn3)n2Cc2nc(C(C)(C)C)cs2)c1 ZINC001361022663 1066218488 /nfs/dbraw/zinc/21/84/88/1066218488.db2.gz YAAQUHSNCHKOJG-UHFFFAOYSA-N 0 0 491.665 4.745 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCc2nccs2)s1 ZINC001361022710 1066219284 /nfs/dbraw/zinc/21/92/84/1066219284.db2.gz ZMFYMIUHEXIMOV-UHFFFAOYSA-N 0 0 468.652 4.731 20 0 JJADRN C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023038 1066219302 /nfs/dbraw/zinc/21/93/02/1066219302.db2.gz FPFCGTHNZFDTQP-MWTRTKDXSA-N 0 0 459.970 4.967 20 0 JJADRN C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001361023373 1066219838 /nfs/dbraw/zinc/21/98/38/1066219838.db2.gz LITSYRCMXXVFPY-WAIKUNEKSA-N 0 0 459.970 4.967 20 0 JJADRN CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)O[C@H](C)C2 ZINC001442773601 1066221332 /nfs/dbraw/zinc/22/13/32/1066221332.db2.gz YUHANFYVXXRSFI-MRXNPFEDSA-N 0 0 452.551 4.954 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001361024070 1066221464 /nfs/dbraw/zinc/22/14/64/1066221464.db2.gz HBOBSKQAFQEMSC-YWZLYKJASA-N 0 0 495.571 4.752 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001442782846 1066221679 /nfs/dbraw/zinc/22/16/79/1066221679.db2.gz PIPIRLUPSTWIJH-OAHLLOKOSA-N 0 0 453.370 4.651 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361024468 1066221966 /nfs/dbraw/zinc/22/19/66/1066221966.db2.gz MIPMXYBAGSXMKK-IFMALSPDSA-N 0 0 471.646 4.869 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)C)c1 ZINC001361024470 1066222079 /nfs/dbraw/zinc/22/20/79/1066222079.db2.gz MIPMXYBAGSXMKK-RBBKRZOGSA-N 0 0 471.646 4.869 20 0 JJADRN C[C@H](C(=O)N1CCC[C@]1(C)Cc1cccc2ccccc21)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001453928886 1066221935 /nfs/dbraw/zinc/22/19/35/1066221935.db2.gz DZWOLWKEMZMAPD-HLULCQHTSA-N 0 0 454.611 4.627 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCc2ccccc2OC)O1 ZINC001546056100 1066222032 /nfs/dbraw/zinc/22/20/32/1066222032.db2.gz AQRNFXBQLUSDGG-OFVILXPXSA-N 0 0 454.640 4.966 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)O1 ZINC001546056085 1066222108 /nfs/dbraw/zinc/22/21/08/1066222108.db2.gz AMLXYMWGFIBQAQ-OFNKIYASSA-N 0 0 496.574 4.715 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001442780684 1066221986 /nfs/dbraw/zinc/22/19/86/1066221986.db2.gz PIPIRLUPSTWIJH-HNNXBMFYSA-N 0 0 453.370 4.651 20 0 JJADRN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442793556 1066222603 /nfs/dbraw/zinc/22/26/03/1066222603.db2.gz CXEUBIJZMQKZMX-ISWURRPUSA-N 0 0 454.514 4.501 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N(CC(C)C)C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC001361024569 1066222589 /nfs/dbraw/zinc/22/25/89/1066222589.db2.gz NTEDDDBQWXBGAW-QFIPXVFZSA-N 0 0 497.606 4.608 20 0 JJADRN O=C(NCC1(O)CCC(F)(F)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC001453932794 1066222604 /nfs/dbraw/zinc/22/26/04/1066222604.db2.gz OIHNKTUTMDOIMD-UHFFFAOYSA-N 0 0 457.304 4.916 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCCC2CCOCC2)c1 ZINC001361024802 1066222870 /nfs/dbraw/zinc/22/28/70/1066222870.db2.gz QFXZPSLKINSPDL-SIKLNZKXSA-N 0 0 496.574 4.837 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC001453940808 1066223155 /nfs/dbraw/zinc/22/31/55/1066223155.db2.gz DAHFYWVLPMYRBK-WMLDXEAASA-N 0 0 455.368 4.556 20 0 JJADRN COc1ccc(CNC(=O)c2cc3c([nH]2)c(C)ccc3Br)cc1Br ZINC001442796219 1066223400 /nfs/dbraw/zinc/22/34/00/1066223400.db2.gz IIWBQLDHEWOQIN-UHFFFAOYSA-N 0 0 452.146 4.940 20 0 JJADRN C[C@@H](CNC(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)c1c(Cl)cccc1Cl ZINC001442796388 1066223474 /nfs/dbraw/zinc/22/34/74/1066223474.db2.gz HLBGGAZOJSPKOI-AWEZNQCLSA-N 0 0 455.386 4.638 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C1(CC)CC ZINC001361024915 1066223266 /nfs/dbraw/zinc/22/32/66/1066223266.db2.gz ZZACAINJRVAQNW-PMACEKPBSA-N 0 0 454.596 4.719 20 0 JJADRN O=C(CCOc1cccc(Br)c1)N1CCc2ccc(F)c(Br)c2C1 ZINC001453940561 1066223272 /nfs/dbraw/zinc/22/32/72/1066223272.db2.gz BQQRNEIMIQYSRP-UHFFFAOYSA-N 0 0 457.137 4.705 20 0 JJADRN C[C@@H](CNC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1c(Cl)cccc1Cl ZINC001442802159 1066223953 /nfs/dbraw/zinc/22/39/53/1066223953.db2.gz VHOYZPKUOCSMBZ-LSDHHAIUSA-N 0 0 459.414 4.923 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)n2)c1 ZINC001442802077 1066224110 /nfs/dbraw/zinc/22/41/10/1066224110.db2.gz VJFIWZVNEZPPRB-UHFFFAOYSA-N 0 0 450.347 4.729 20 0 JJADRN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCc2ccc(F)c(Br)c2C1 ZINC001453946566 1066224637 /nfs/dbraw/zinc/22/46/37/1066224637.db2.gz UGZSUKZUVGHBQA-UHFFFAOYSA-N 0 0 451.645 4.783 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 ZINC001361025522 1066224737 /nfs/dbraw/zinc/22/47/37/1066224737.db2.gz GOGNXAXUCIXBFW-CQSZACIVSA-N 0 0 455.769 4.707 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCCc1nc(-c2ccncc2)cs1 ZINC001442806130 1066224786 /nfs/dbraw/zinc/22/47/86/1066224786.db2.gz CVYMLNBDNDJKEQ-UHFFFAOYSA-N 0 0 452.580 4.844 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CCc3ccc(F)c(Br)c3C2)CCCCC1 ZINC001453948110 1066224777 /nfs/dbraw/zinc/22/47/77/1066224777.db2.gz WTWJFIDYQTXGPK-UHFFFAOYSA-N 0 0 455.368 4.701 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)Cc2c(C)noc2C)O1 ZINC001546056395 1066225544 /nfs/dbraw/zinc/22/55/44/1066225544.db2.gz FHFZIACITGBXSC-RDPSFJRHSA-N 0 0 457.550 4.585 20 0 JJADRN Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC001453964952 1066226228 /nfs/dbraw/zinc/22/62/28/1066226228.db2.gz YOJHYOJSQMPFNI-UHFFFAOYSA-N 0 0 450.667 4.863 20 0 JJADRN CCc1ccc([C@H](NC(=O)C[C@H](C)c2c(C)noc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361026254 1066226054 /nfs/dbraw/zinc/22/60/54/1066226054.db2.gz CCNDXCBRWQQICD-LMKMVOKYSA-N 0 0 454.592 4.657 20 0 JJADRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001442810498 1066226171 /nfs/dbraw/zinc/22/61/71/1066226171.db2.gz LJNVYWFHSQMQEK-UHFFFAOYSA-N 0 0 458.465 4.667 20 0 JJADRN COC(=O)c1cc(Br)cc(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC001361026354 1066226140 /nfs/dbraw/zinc/22/61/40/1066226140.db2.gz FPARZJCKDHISSL-NRFANRHFSA-N 0 0 452.348 4.992 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001361026440 1066226184 /nfs/dbraw/zinc/22/61/84/1066226184.db2.gz BVYKICZVULYUEN-PMACEKPBSA-N 0 0 469.630 4.576 20 0 JJADRN C[C@H](NC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1Oc1ccccc1 ZINC001442812716 1066226380 /nfs/dbraw/zinc/22/63/80/1066226380.db2.gz MSQASLVTVYLHRH-AFMDSPMNSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1cccc(C2(CNC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CCCC2)c1 ZINC001442814196 1066226416 /nfs/dbraw/zinc/22/64/16/1066226416.db2.gz PMNPNCCWIAHGHJ-UHFFFAOYSA-N 0 0 456.652 4.589 20 0 JJADRN COCCC1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001453963085 1066226308 /nfs/dbraw/zinc/22/63/08/1066226308.db2.gz AJHPWJLWIIRYMW-RTWAWAEBSA-N 0 0 451.007 4.566 20 0 JJADRN Cc1ccc(Br)cc1C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC001361026484 1066226709 /nfs/dbraw/zinc/22/67/09/1066226709.db2.gz GGZOHSMCOOCHOF-OAQYLSRUSA-N 0 0 458.377 4.680 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(-c3ccccc3)s2)cc1 ZINC001453968069 1066227020 /nfs/dbraw/zinc/22/70/20/1066227020.db2.gz APJCQMMWPUYFEC-UHFFFAOYSA-N 0 0 450.589 4.677 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 ZINC001453973290 1066227632 /nfs/dbraw/zinc/22/76/32/1066227632.db2.gz PXFQHOXHNZFBBM-UHFFFAOYSA-N 0 0 454.542 4.803 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2Cc2ncccc2N(C)C)c1 ZINC001361026978 1066227749 /nfs/dbraw/zinc/22/77/49/1066227749.db2.gz IYYRJLWJFPICCE-UHFFFAOYSA-N 0 0 487.435 4.883 20 0 JJADRN COc1cc2cc(C(=O)Nc3cc(C)nn3-c3cccc(Br)c3)[nH]c2cc1OC ZINC001442822996 1066227624 /nfs/dbraw/zinc/22/76/24/1066227624.db2.gz AFGFUQFIKCQCME-UHFFFAOYSA-N 0 0 455.312 4.694 20 0 JJADRN Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n(-c2cccc(Br)c2)n1 ZINC001442829407 1066228264 /nfs/dbraw/zinc/22/82/64/1066228264.db2.gz UJJKFMQBLMKGNU-MAUKXSAKSA-N 0 0 477.403 4.965 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC001453986792 1066229869 /nfs/dbraw/zinc/22/98/69/1066229869.db2.gz ZJPRQLOSQCFTLI-UHFFFAOYSA-N 0 0 453.670 4.843 20 0 JJADRN Cc1cc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001442842206 1066229951 /nfs/dbraw/zinc/22/99/51/1066229951.db2.gz QRAQRENOYQITCQ-KRWDZBQOSA-N 0 0 452.477 4.831 20 0 JJADRN Cc1noc(C)c1[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CCCO)CC1 ZINC001361027590 1066230360 /nfs/dbraw/zinc/23/03/60/1066230360.db2.gz PYPHGAGAGVFESV-HXUWFJFHSA-N 0 0 481.641 4.871 20 0 JJADRN CC(C)(CNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)CC(F)(F)F ZINC001453990487 1066230608 /nfs/dbraw/zinc/23/06/08/1066230608.db2.gz UBEWRMSAKWITJQ-JTQLQIEISA-N 0 0 455.262 4.798 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001453991548 1066230680 /nfs/dbraw/zinc/23/06/80/1066230680.db2.gz XMGNIAPJEFAPPC-ZHRRBRCNSA-N 0 0 456.533 4.959 20 0 JJADRN Cc1ccc2c(c1Br)CN(C(=O)c1ccccc1CCNC(=O)OC(C)(C)C)C2 ZINC001453996803 1066231117 /nfs/dbraw/zinc/23/11/17/1066231117.db2.gz AKFLADKQPPYISN-UHFFFAOYSA-N 0 0 459.384 4.981 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC001442854596 1066231286 /nfs/dbraw/zinc/23/12/86/1066231286.db2.gz GDLPTLQOLMZBDK-NRFANRHFSA-N 0 0 459.974 4.668 20 0 JJADRN C[C@H](NC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Oc2ccccc2)cc1 ZINC001442849651 1066231433 /nfs/dbraw/zinc/23/14/33/1066231433.db2.gz IHNHKIWPDPLTBV-SIBVEZHUSA-N 0 0 454.567 4.808 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361028105 1066231691 /nfs/dbraw/zinc/23/16/91/1066231691.db2.gz GOEWAZSQTVEXTG-HSZRJFAPSA-N 0 0 476.499 4.673 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1Br ZINC001453998075 1066231714 /nfs/dbraw/zinc/23/17/14/1066231714.db2.gz FFIZMPKKLSDABM-KPZWWZAWSA-N 0 0 455.190 4.668 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546057288 1066231975 /nfs/dbraw/zinc/23/19/75/1066231975.db2.gz PSPWCORYCUGNSE-AMGIVPHBSA-N 0 0 480.657 4.808 20 0 JJADRN CCc1c(Br)cc(C(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1Br ZINC001453998077 1066232091 /nfs/dbraw/zinc/23/20/91/1066232091.db2.gz FFIZMPKKLSDABM-KZULUSFZSA-N 0 0 455.190 4.668 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2CCSC2)c1 ZINC001361028076 1066231988 /nfs/dbraw/zinc/23/19/88/1066231988.db2.gz GBTAEVYBTPFEBJ-VXKWHMMOSA-N 0 0 499.725 4.604 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C1 ZINC001442857618 1066232303 /nfs/dbraw/zinc/23/23/03/1066232303.db2.gz QAQCUGABLSSEKU-CQSZACIVSA-N 0 0 453.967 4.674 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2c(C)nn(C)c2C)O1 ZINC001546057290 1066232127 /nfs/dbraw/zinc/23/21/27/1066232127.db2.gz PSPWCORYCUGNSE-WXVAWEFUSA-N 0 0 480.657 4.808 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCc1cccc(-c2ccccc2)c1 ZINC001454001914 1066232748 /nfs/dbraw/zinc/23/27/48/1066232748.db2.gz DHPSWAUKQFNRIT-UHFFFAOYSA-N 0 0 458.583 4.534 20 0 JJADRN C[C@H](NC(=O)c1nccnc1SCc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442862582 1066233142 /nfs/dbraw/zinc/23/31/42/1066233142.db2.gz JTFZAXFVSYDGNK-PKOBYXMFSA-N 0 0 456.612 4.534 20 0 JJADRN Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCc2c(Br)cccc2C1 ZINC001442861671 1066233203 /nfs/dbraw/zinc/23/32/03/1066233203.db2.gz YAERFAYPIONOQG-UHFFFAOYSA-N 0 0 454.320 4.941 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2Cc2cc(COC(C)(C)C)on2)c1 ZINC001361028492 1066233133 /nfs/dbraw/zinc/23/31/33/1066233133.db2.gz JWNIAKOPKUDRNK-UHFFFAOYSA-N 0 0 451.571 4.592 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@H]([C@H]4CCOC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361028402 1066233388 /nfs/dbraw/zinc/23/33/88/1066233388.db2.gz ZWAMBRKYOUNJMC-WCYRKSIYSA-N 0 0 470.658 4.524 20 0 JJADRN C[C@@H]1c2ccccc2CN1C(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC001454008390 1066233258 /nfs/dbraw/zinc/23/32/58/1066233258.db2.gz QKEFCOUNJQLWLJ-MRXNPFEDSA-N 0 0 456.384 4.665 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CCCO[C@H]2CCOC2)c1 ZINC001361028502 1066233488 /nfs/dbraw/zinc/23/34/88/1066233488.db2.gz JZUXZSJCFWTLMV-YADHBBJMSA-N 0 0 456.631 4.542 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3Cc4ccoc4CC(C)(C)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001361028586 1066234105 /nfs/dbraw/zinc/23/41/05/1066234105.db2.gz LTCQDDXIUXSAIX-UHFFFAOYSA-N 0 0 493.652 4.961 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454009767 1066234179 /nfs/dbraw/zinc/23/41/79/1066234179.db2.gz ZXWAPPUYGGZGIR-KSMMKXTCSA-N 0 0 473.397 4.749 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@H]4CCCCCC[C@@H]43)n2CCC(=O)NC(C)(C)C)c1 ZINC001361028976 1066235241 /nfs/dbraw/zinc/23/52/41/1066235241.db2.gz WLLXXZGQUDIZNT-GGAORHGYSA-N 0 0 467.658 4.938 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3C[C@@H]4CCCCCC[C@@H]43)n2CCC(=O)NC(C)(C)C)c1 ZINC001361028977 1066235370 /nfs/dbraw/zinc/23/53/70/1066235370.db2.gz WLLXXZGQUDIZNT-GMAHTHKFSA-N 0 0 467.658 4.938 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(C(C)C)CC3)n2CCOc2ncccc2F)c1 ZINC001361028998 1066235423 /nfs/dbraw/zinc/23/54/23/1066235423.db2.gz WUJRJBVXXMEZKP-UHFFFAOYSA-N 0 0 467.589 4.959 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCOC[C@H]2C)O1 ZINC001546056702 1066235967 /nfs/dbraw/zinc/23/59/67/1066235967.db2.gz IVNLKWWWWHQCAW-FZOAFFARSA-N 0 0 477.049 4.824 20 0 JJADRN CN1C(=O)CC[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001442884451 1066236909 /nfs/dbraw/zinc/23/69/09/1066236909.db2.gz XFQMIZAQVFKGDK-IRLDBZIGSA-N 0 0 452.517 4.565 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N2CCC(OC3CCCC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001442884459 1066236924 /nfs/dbraw/zinc/23/69/24/1066236924.db2.gz XFQMIZAQVFKGDK-RBBKRZOGSA-N 0 0 452.517 4.565 20 0 JJADRN CN1C(=O)CC[C@H](C(=O)N2CCC(OC3CCCC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001442884465 1066236961 /nfs/dbraw/zinc/23/69/61/1066236961.db2.gz XFQMIZAQVFKGDK-UNMCSNQZSA-N 0 0 452.517 4.565 20 0 JJADRN O=C(NCC(F)(F)c1ccc(F)cc1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC001454035944 1066238131 /nfs/dbraw/zinc/23/81/31/1066238131.db2.gz GCYWKRUDZYESEG-UHFFFAOYSA-N 0 0 459.649 4.605 20 0 JJADRN O=C(c1cccn2c(I)cnc12)N(Cc1ccsc1)c1ccccc1 ZINC001442907061 1066238710 /nfs/dbraw/zinc/23/87/10/1066238710.db2.gz OEWDBAOQVDUCQT-UHFFFAOYSA-N 0 0 459.312 4.847 20 0 JJADRN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N(Cc1ccsc1)c1ccccc1 ZINC001442907158 1066238807 /nfs/dbraw/zinc/23/88/07/1066238807.db2.gz PBTURGHVYAMAFT-UHFFFAOYSA-N 0 0 455.388 4.567 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001361030930 1066238678 /nfs/dbraw/zinc/23/86/78/1066238678.db2.gz BETXPJYQCGZTBT-FGZHOGPDSA-N 0 0 456.631 4.683 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(NC(C)=O)CC2)O1 ZINC001546057391 1066238944 /nfs/dbraw/zinc/23/89/44/1066238944.db2.gz RMJBLELTOWUIDE-CUBQBAPOSA-N 0 0 497.684 4.607 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001442915604 1066239471 /nfs/dbraw/zinc/23/94/71/1066239471.db2.gz ASDMSLOMCGDUNU-HNNXBMFYSA-N 0 0 456.474 4.836 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@](C)(O)c2cccs2)c1 ZINC001361031060 1066239609 /nfs/dbraw/zinc/23/96/09/1066239609.db2.gz GOJZTYALWXXPIP-KOSHJBKYSA-N 0 0 476.593 4.925 20 0 JJADRN CCC[C@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1)OCC ZINC001454041054 1066239629 /nfs/dbraw/zinc/23/96/29/1066239629.db2.gz FVNXLCXQWMHINA-UTKZUKDTSA-N 0 0 457.409 4.510 20 0 JJADRN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3cc(Br)c(Br)cc3C2)n1 ZINC001454040592 1066239706 /nfs/dbraw/zinc/23/97/06/1066239706.db2.gz YAQFIEHIBRSOOF-ZDUSSCGKSA-N 0 0 455.194 4.561 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(OCc4ccccn4)cc3)s2)c1 ZINC001442915663 1066240193 /nfs/dbraw/zinc/24/01/93/1066240193.db2.gz AYLAMDWWLQZDLR-UHFFFAOYSA-N 0 0 459.527 4.747 20 0 JJADRN CN(CCC(=O)NCCC1SCCS1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001454044719 1066240253 /nfs/dbraw/zinc/24/02/53/1066240253.db2.gz UTRLZPAOSFLNRF-UHFFFAOYSA-N 0 0 456.633 4.570 20 0 JJADRN CC(C)(CCC(=O)NCC1CCOCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001442920789 1066240997 /nfs/dbraw/zinc/24/09/97/1066240997.db2.gz HDBRWIGSYORFAF-UHFFFAOYSA-N 0 0 450.579 4.627 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)NCC/C=C/c2ccc(Br)cc2)c1 ZINC001454051222 1066241170 /nfs/dbraw/zinc/24/11/70/1066241170.db2.gz VUTCYCRSNQPONR-DUXPYHPUSA-N 0 0 454.162 4.636 20 0 JJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)s2)c1 ZINC001442924832 1066241447 /nfs/dbraw/zinc/24/14/47/1066241447.db2.gz OQXSIIRXLYVLIM-UHFFFAOYSA-N 0 0 452.923 4.816 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001454060446 1066241746 /nfs/dbraw/zinc/24/17/46/1066241746.db2.gz DQPQYIPSBXKTHG-AFMDSPMNSA-N 0 0 451.567 4.958 20 0 JJADRN COc1ccc(CCCC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1OC ZINC001442925980 1066241875 /nfs/dbraw/zinc/24/18/75/1066241875.db2.gz SNFCUNPTXWMGOB-IBGZPJMESA-N 0 0 453.514 4.622 20 0 JJADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)cc1 ZINC001454061037 1066241874 /nfs/dbraw/zinc/24/18/74/1066241874.db2.gz JSGSXZVTGQOFHV-UHFFFAOYSA-N 0 0 454.995 4.712 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCSC(F)(F)F)c1 ZINC001361031590 1066242471 /nfs/dbraw/zinc/24/24/71/1066242471.db2.gz WAOCOJPJICOSSO-UHFFFAOYSA-N 0 0 498.493 4.621 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)c3ccccc3C)cc2)cc1C ZINC001454064475 1066242549 /nfs/dbraw/zinc/24/25/49/1066242549.db2.gz SCKKZIJVFSEYCC-UHFFFAOYSA-N 0 0 458.530 4.934 20 0 JJADRN CC(C)Cn1cc([C@@H]2N(C(=O)c3cnc(Cl)cc3C(F)(F)F)CC23CCOCC3)cn1 ZINC001454064542 1066242729 /nfs/dbraw/zinc/24/27/29/1066242729.db2.gz SNVUJBFAXFOKPW-SFHVURJKSA-N 0 0 456.896 4.600 20 0 JJADRN CCc1ccc(-c2nc(CC(=O)N3CCC[C@H](c4ncc(C(=O)OC)s4)C3)cs2)cc1 ZINC001454083111 1066243487 /nfs/dbraw/zinc/24/34/87/1066243487.db2.gz APIQKVDTGCWPSB-KRWDZBQOSA-N 0 0 455.605 4.564 20 0 JJADRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)C2)s1 ZINC001454084718 1066243548 /nfs/dbraw/zinc/24/35/48/1066243548.db2.gz FDKUIYZMEANKQF-HNNXBMFYSA-N 0 0 457.939 4.790 20 0 JJADRN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccc1N1CCSCC1 ZINC001442934194 1066243781 /nfs/dbraw/zinc/24/37/81/1066243781.db2.gz QQYKCTFBVJRBEN-UHFFFAOYSA-N 0 0 457.397 4.953 20 0 JJADRN CC(C)[C@@H](NC(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001442939513 1066243983 /nfs/dbraw/zinc/24/39/83/1066243983.db2.gz YVTFOZBBIOTZCA-QZTJIDSGSA-N 0 0 452.477 4.734 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)[C@H]2CCOC2)O1 ZINC001546057777 1066244160 /nfs/dbraw/zinc/24/41/60/1066244160.db2.gz XCDQPBWCWUBCIN-BPYKYCOYSA-N 0 0 477.049 4.824 20 0 JJADRN CC(C)[C@H](NC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001442939515 1066244400 /nfs/dbraw/zinc/24/44/00/1066244400.db2.gz YVTFOZBBIOTZCA-ROUUACIJSA-N 0 0 452.477 4.734 20 0 JJADRN CC(C)[C@H](NC(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001442939517 1066244523 /nfs/dbraw/zinc/24/45/23/1066244523.db2.gz YVTFOZBBIOTZCA-ZWKOTPCHSA-N 0 0 452.477 4.734 20 0 JJADRN CCCc1sc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1Br ZINC001454092352 1066244716 /nfs/dbraw/zinc/24/47/16/1066244716.db2.gz OKSZUJNTMDAMDK-NSHDSACASA-N 0 0 457.415 4.726 20 0 JJADRN Cc1nnc(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](C)C2)s1 ZINC001361032165 1066244872 /nfs/dbraw/zinc/24/48/72/1066244872.db2.gz MNUWOVSKNCQLQX-KRWDZBQOSA-N 0 0 454.644 4.893 20 0 JJADRN CC(C)(Cc1ccc(O)cc1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001442954147 1066244980 /nfs/dbraw/zinc/24/49/80/1066244980.db2.gz FBPWTALQONLMBD-UHFFFAOYSA-N 0 0 459.384 4.601 20 0 JJADRN Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)c(C)n1C1CCOCC1 ZINC001442945653 1066245063 /nfs/dbraw/zinc/24/50/63/1066245063.db2.gz XOAOSRNJKIHJBD-UHFFFAOYSA-N 0 0 457.315 4.750 20 0 JJADRN O=C(NCc1ccc(OC2CCCCC2)cc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001442955111 1066245210 /nfs/dbraw/zinc/24/52/10/1066245210.db2.gz VCSZMDKBRHDXMJ-ITYLOYPMSA-N 0 0 455.558 4.880 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(Nc4cccc(OC)c4)cc3)c(C)c12 ZINC001454100697 1066245345 /nfs/dbraw/zinc/24/53/45/1066245345.db2.gz AJNIBKZADGGCJO-UHFFFAOYSA-N 0 0 459.550 4.917 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCCC(C)C)c1 ZINC001361032201 1066245766 /nfs/dbraw/zinc/24/57/66/1066245766.db2.gz NOSUFFFHMDSIED-QFIPXVFZSA-N 0 0 455.647 4.651 20 0 JJADRN COc1cc(CCCNC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc(OC)c1O ZINC001454108904 1066246159 /nfs/dbraw/zinc/24/61/59/1066246159.db2.gz UEZJWXZMNYHKOL-DEOSSOPVSA-N 0 0 457.473 4.557 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCOc2ncccc2F)c1 ZINC001361032334 1066246268 /nfs/dbraw/zinc/24/62/68/1066246268.db2.gz QRZIBCCVNVAXIP-GOSISDBHSA-N 0 0 453.562 4.713 20 0 JJADRN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001546058046 1066246284 /nfs/dbraw/zinc/24/62/84/1066246284.db2.gz AFUDGAGEYQSTNR-UNMCSNQZSA-N 0 0 458.002 4.542 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)C(=O)c1ccc(O)cc1 ZINC001442965278 1066246854 /nfs/dbraw/zinc/24/68/54/1066246854.db2.gz IDWYLBBYDGXEIY-UHFFFAOYSA-N 0 0 451.347 4.981 20 0 JJADRN O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@H]1CCc2nc[nH]c2C1 ZINC001442963042 1066247034 /nfs/dbraw/zinc/24/70/34/1066247034.db2.gz DGFVZBHDPNQZBB-LBPRGKRZSA-N 0 0 451.395 4.920 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2nc3ccccc3n2-c2ccccc2)c(OC)c1OC ZINC001442964986 1066247094 /nfs/dbraw/zinc/24/70/94/1066247094.db2.gz MEWLZUGTFJNSQC-UHFFFAOYSA-N 0 0 459.502 4.653 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c(Cl)c1 ZINC001454110472 1066247173 /nfs/dbraw/zinc/24/71/73/1066247173.db2.gz YBNCKJXRVSIFIG-UHFFFAOYSA-N 0 0 458.946 4.537 20 0 JJADRN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545953009 1066248539 /nfs/dbraw/zinc/24/85/39/1066248539.db2.gz SCEKWRNFTSHRHM-QUCCMNQESA-N 0 0 475.609 4.845 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2nc(C)c(Br)s2)cc1OC ZINC001442976572 1066248985 /nfs/dbraw/zinc/24/89/85/1066248985.db2.gz VGROZGXRSNLDQB-OAHLLOKOSA-N 0 0 453.402 4.859 20 0 JJADRN CC(C)c1ccc2c(c1)sc(C(=O)NCc1ccc([C@@]3(C)NC(=O)NC3=O)cc1)c2Cl ZINC001442975019 1066249106 /nfs/dbraw/zinc/24/91/06/1066249106.db2.gz JDUBMAKPSBJBNH-HSZRJFAPSA-N 0 0 455.967 4.663 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1 ZINC001361033091 1066249054 /nfs/dbraw/zinc/24/90/54/1066249054.db2.gz LKSQPYIMAJAXTH-UHFFFAOYSA-N 0 0 457.695 4.648 20 0 JJADRN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC[C@H](N(C)C(=O)N(C)C)C3)c2C1 ZINC001454137993 1066249290 /nfs/dbraw/zinc/24/92/90/1066249290.db2.gz WXYGTTDTIKDJCH-OALUTQOASA-N 0 0 450.627 4.604 20 0 JJADRN O=C(Nc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCCN1Cc1ccncc1 ZINC001454138227 1066249303 /nfs/dbraw/zinc/24/93/03/1066249303.db2.gz UDRWHNPLKMBPNL-GOSISDBHSA-N 0 0 457.397 4.961 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCS2)c1 ZINC001361033222 1066249696 /nfs/dbraw/zinc/24/96/96/1066249696.db2.gz ZXCBXCZMJVSCQG-RBBKRZOGSA-N 0 0 485.698 4.501 20 0 JJADRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1F ZINC001442984154 1066249797 /nfs/dbraw/zinc/24/97/97/1066249797.db2.gz HUDGAGAITHYYTR-UHFFFAOYSA-N 0 0 453.322 4.863 20 0 JJADRN COC(=O)C(C)(C)n1cc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)cn1 ZINC001454148310 1066250011 /nfs/dbraw/zinc/25/00/11/1066250011.db2.gz YCJAZAHKNGMOIJ-UHFFFAOYSA-N 0 0 453.442 4.671 20 0 JJADRN Cc1nn(C)c(Cl)c1COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001361034546 1066250229 /nfs/dbraw/zinc/25/02/29/1066250229.db2.gz WWLDEVVMKGJXPC-UHFFFAOYSA-N 0 0 454.954 4.753 20 0 JJADRN O=C(OCc1ccccc1)c1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[nH]1 ZINC001442985273 1066250421 /nfs/dbraw/zinc/25/04/21/1066250421.db2.gz OHBFVYYFLQYMKW-UHFFFAOYSA-N 0 0 457.505 4.791 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361034700 1066250908 /nfs/dbraw/zinc/25/09/08/1066250908.db2.gz AVOABSBGLNQGDS-UHFFFAOYSA-N 0 0 490.652 4.514 20 0 JJADRN CN(Cc1cc(Br)ccc1F)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001443000260 1066251215 /nfs/dbraw/zinc/25/12/15/1066251215.db2.gz SPJCNJBEHNZSRH-UHFFFAOYSA-N 0 0 458.209 4.929 20 0 JJADRN Cc1ccc(O)cc1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001442995191 1066251383 /nfs/dbraw/zinc/25/13/83/1066251383.db2.gz AUVUEYTVEILDOI-UHFFFAOYSA-N 0 0 454.523 4.509 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)c1 ZINC001361034989 1066251687 /nfs/dbraw/zinc/25/16/87/1066251687.db2.gz LUOATNKPQUKVGW-VXKWHMMOSA-N 0 0 467.658 4.605 20 0 JJADRN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001443005440 1066251955 /nfs/dbraw/zinc/25/19/55/1066251955.db2.gz AACZSIVXGPROEA-FQEVSTJZSA-N 0 0 456.530 4.586 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc2c(cncc2Br)s1 ZINC001443008624 1066252069 /nfs/dbraw/zinc/25/20/69/1066252069.db2.gz QQZKIJKDUYPCKP-UHFFFAOYSA-N 0 0 459.321 4.912 20 0 JJADRN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001443006733 1066252080 /nfs/dbraw/zinc/25/20/80/1066252080.db2.gz NWDNYBYBNHVNOY-UHFFFAOYSA-N 0 0 459.271 4.922 20 0 JJADRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)s1 ZINC001443007116 1066252145 /nfs/dbraw/zinc/25/21/45/1066252145.db2.gz DSCAQXLXFBTQIX-UHFFFAOYSA-N 0 0 455.005 4.949 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4CC[C@@H]43)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001361035087 1066252483 /nfs/dbraw/zinc/25/24/83/1066252483.db2.gz QBOFBNQUDILUEA-IRLDBZIGSA-N 0 0 469.630 4.720 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)C1 ZINC001454194905 1066252682 /nfs/dbraw/zinc/25/26/82/1066252682.db2.gz OWZCTFZEHGJDAE-NSHGMRRFSA-N 0 0 458.599 4.932 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)o1 ZINC001454191870 1066252772 /nfs/dbraw/zinc/25/27/72/1066252772.db2.gz GTUKORZTSSWHGA-SFHVURJKSA-N 0 0 456.539 4.780 20 0 JJADRN CC[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545953110 1066253349 /nfs/dbraw/zinc/25/33/49/1066253349.db2.gz UDUKFVVINLUMSY-QRFRQXIXSA-N 0 0 494.036 4.600 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCc2cccs2)c1 ZINC001361035339 1066253641 /nfs/dbraw/zinc/25/36/41/1066253641.db2.gz VDXQHHKYEHEIAH-LJQANCHMSA-N 0 0 493.599 4.851 20 0 JJADRN CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc(Br)ccc2OCc2ccccc2)C1 ZINC001454212593 1066254889 /nfs/dbraw/zinc/25/48/89/1066254889.db2.gz BTGUEMGJZYAXLI-UHFFFAOYSA-N 0 0 454.368 4.976 20 0 JJADRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001443021037 1066254909 /nfs/dbraw/zinc/25/49/09/1066254909.db2.gz IERHPSGZBVPCCD-UHFFFAOYSA-N 0 0 459.571 4.765 20 0 JJADRN CC(C)c1ccc(Sc2ccc(NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1 ZINC001443021463 1066254962 /nfs/dbraw/zinc/25/49/62/1066254962.db2.gz QADNMXAZGCRFLT-QFIPXVFZSA-N 0 0 453.589 4.630 20 0 JJADRN Cc1cc([C@@](C)(O)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(C)o1 ZINC001361035777 1066255054 /nfs/dbraw/zinc/25/50/54/1066255054.db2.gz NCHFDQWKLUGJTR-YWEHKCAJSA-N 0 0 496.652 4.843 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(C)(C)CC2)c1 ZINC001361036772 1066255176 /nfs/dbraw/zinc/25/51/76/1066255176.db2.gz PSBPPJZHIOTDHQ-UHFFFAOYSA-N 0 0 452.979 4.957 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361036047 1066255280 /nfs/dbraw/zinc/25/52/80/1066255280.db2.gz WOBXAMBQJUNOQX-VAMGGRTRSA-N 0 0 483.554 4.685 20 0 JJADRN 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XCIFBMLGYJJYNB-UHFFFAOYSA-N 0 0 458.312 4.548 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)[C@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001361039905 1066263177 /nfs/dbraw/zinc/26/31/77/1066263177.db2.gz ZAAXSRMGSQHXHP-AQNXPRMDSA-N 0 0 489.686 4.717 20 0 JJADRN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC001443084032 1066263298 /nfs/dbraw/zinc/26/32/98/1066263298.db2.gz BTHMQUPBFVCIBZ-QGZVFWFLSA-N 0 0 459.930 4.687 20 0 JJADRN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001443073111 1066263311 /nfs/dbraw/zinc/26/33/11/1066263311.db2.gz MSMJUYNLXUEGBE-LVXARBLLSA-N 0 0 457.615 4.792 20 0 JJADRN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC001545953988 1066263349 /nfs/dbraw/zinc/26/33/49/1066263349.db2.gz SXJJCZFBHPWXMP-DEOSSOPVSA-N 0 0 454.592 4.919 20 0 JJADRN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001443073126 1066263378 /nfs/dbraw/zinc/26/33/78/1066263378.db2.gz 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Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCn3cc(C(F)(F)F)nc3C2)c1 ZINC001361042323 1066266079 /nfs/dbraw/zinc/26/60/79/1066266079.db2.gz ZAORVMCAMYBTNA-UHFFFAOYSA-N 0 0 476.547 4.798 20 0 JJADRN Cc1cc(C)cc(OCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H]2CCCOC2)c1 ZINC001361042318 1066266211 /nfs/dbraw/zinc/26/62/11/1066266211.db2.gz AMUJCUKIYIAHAF-GMKZXUHWSA-N 0 0 470.658 4.755 20 0 JJADRN O=C(CCCc1c(F)cccc1F)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC001454298638 1066266292 /nfs/dbraw/zinc/26/62/92/1066266292.db2.gz LMLWIWYQEMIQBC-AWEZNQCLSA-N 0 0 453.327 4.507 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)O1 ZINC001546059531 1066266345 /nfs/dbraw/zinc/26/63/45/1066266345.db2.gz LTHLWQPJLHARIJ-SMFSEKIUSA-N 0 0 491.677 4.607 20 0 JJADRN Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)Cc1csc(N2CCOCC2)n1 ZINC001443096923 1066266719 /nfs/dbraw/zinc/26/67/19/1066266719.db2.gz ICWXAZISIMFSBU-UHFFFAOYSA-N 0 0 457.983 4.702 20 0 JJADRN 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CC(C)(C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1)c1csc(-c2cccs2)n1 ZINC001443126625 1066271785 /nfs/dbraw/zinc/27/17/85/1066271785.db2.gz VUMLYEWCZHOCGJ-UHFFFAOYSA-N 0 0 455.605 4.929 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c2ccccc2n1 ZINC001361045870 1066272227 /nfs/dbraw/zinc/27/22/27/1066272227.db2.gz MMEVGDRBEYPXHD-CJFMBICVSA-N 0 0 492.668 4.604 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CCN(C)CC(F)(F)F)s1 ZINC001361045851 1066272285 /nfs/dbraw/zinc/27/22/85/1066272285.db2.gz LVXIJFARIWISRL-UHFFFAOYSA-N 0 0 489.571 4.697 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCc3nccs3)n2CCCOC(C)C)c2ccccc2n1 ZINC001361045852 1066272405 /nfs/dbraw/zinc/27/24/05/1066272405.db2.gz LWBXSPIVFAFPAT-UHFFFAOYSA-N 0 0 450.612 4.752 20 0 JJADRN CS[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001454340862 1066272581 /nfs/dbraw/zinc/27/25/81/1066272581.db2.gz IHPAKFGDOBWYCH-XFAGBWLFSA-N 0 0 452.620 4.902 20 0 JJADRN C[C@H](Oc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cn1)c1ccccc1 ZINC001443129488 1066272394 /nfs/dbraw/zinc/27/23/94/1066272394.db2.gz CCNVBKFZBRBRSK-KKSFZXQISA-N 0 0 451.523 4.515 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2ccc3nnc(C(C)(C)C)n3c2)c2ccccc2)cc1OC ZINC001443131656 1066272428 /nfs/dbraw/zinc/27/24/28/1066272428.db2.gz LTDNUPUVZZVVEH-OAQYLSRUSA-N 0 0 458.562 4.758 20 0 JJADRN Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c2ccccc2n1 ZINC001361045872 1066272529 /nfs/dbraw/zinc/27/25/29/1066272529.db2.gz MMEVGDRBEYPXHD-NBGIEHNGSA-N 0 0 492.668 4.604 20 0 JJADRN CN(C)C(=O)Sc1ccccc1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC001443148901 1066272982 /nfs/dbraw/zinc/27/29/82/1066272982.db2.gz CVDUQVAFLPNPBI-UHFFFAOYSA-N 0 0 457.430 4.529 20 0 JJADRN Cc1cc(-c2nnc(N(C)Cc3ccon3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361045907 1066273089 /nfs/dbraw/zinc/27/30/89/1066273089.db2.gz OBWFZUAACRCAHJ-KRWDZBQOSA-N 0 0 491.596 4.587 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCc3cnccn3)n2CCSC(F)(F)F)c2ccccc2n1 ZINC001361046057 1066273963 /nfs/dbraw/zinc/27/39/63/1066273963.db2.gz UAIMPDRYRYAQDJ-UHFFFAOYSA-N 0 0 473.528 4.524 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)OC ZINC001545954782 1066273854 /nfs/dbraw/zinc/27/38/54/1066273854.db2.gz KJMUWWBNRYCJRP-NNWRFLSQSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)O1 ZINC001546060224 1066274015 /nfs/dbraw/zinc/27/40/15/1066274015.db2.gz WZQVDHXHDWHQOZ-WXVAWEFUSA-N 0 0 499.725 4.921 20 0 JJADRN CN1CCN(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)Cc2ccccc21 ZINC001443153662 1066274402 /nfs/dbraw/zinc/27/44/02/1066274402.db2.gz GLRXNLPJRMPCMN-UHFFFAOYSA-N 0 0 451.636 4.567 20 0 JJADRN O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001443151740 1066274416 /nfs/dbraw/zinc/27/44/16/1066274416.db2.gz AHCGPFRTQQNGAM-MRXNPFEDSA-N 0 0 458.267 4.995 20 0 JJADRN 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Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC[C@@H](O)COCc1ccccc1 ZINC001454359671 1066275362 /nfs/dbraw/zinc/27/53/62/1066275362.db2.gz RYUXYNWAHQCYIP-XMMPIXPASA-N 0 0 455.558 4.545 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cccnc1OCc1ccccc1F ZINC001361046474 1066275684 /nfs/dbraw/zinc/27/56/84/1066275684.db2.gz FKEAJWKJKMUUSW-DYESRHJHSA-N 0 0 457.546 4.708 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001361046600 1066275697 /nfs/dbraw/zinc/27/56/97/1066275697.db2.gz HXJDCUPWGBHZQF-WMLDXEAASA-N 0 0 457.384 4.815 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC001443162127 1066275674 /nfs/dbraw/zinc/27/56/74/1066275674.db2.gz NEXGKXANYQDVJU-NRFANRHFSA-N 0 0 455.530 4.639 20 0 JJADRN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001546060604 1066275780 /nfs/dbraw/zinc/27/57/80/1066275780.db2.gz DKNIYOWFFORCRX-OAHLLOKOSA-N 0 0 451.832 4.922 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1Br ZINC001361046601 1066275888 /nfs/dbraw/zinc/27/58/88/1066275888.db2.gz HXJDCUPWGBHZQF-YOEHRIQHSA-N 0 0 457.384 4.815 20 0 JJADRN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)cc2)n1 ZINC001454369126 1066276083 /nfs/dbraw/zinc/27/60/83/1066276083.db2.gz GHADRMSATKBHEV-UHFFFAOYSA-N 0 0 450.340 4.749 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001361046765 1066276566 /nfs/dbraw/zinc/27/65/66/1066276566.db2.gz LLICUEGUFKNZBT-CQSZACIVSA-N 0 0 455.150 4.839 20 0 JJADRN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@]2(CC=CCC2)C1)NC(=O)OC(C)(C)C ZINC001545954962 1066276609 /nfs/dbraw/zinc/27/66/09/1066276609.db2.gz MYEWTVVNFNPWLZ-YPCDYVTLSA-N 0 0 491.677 4.632 20 0 JJADRN Cc1nnc(CCC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)o1 ZINC001443167504 1066276630 /nfs/dbraw/zinc/27/66/30/1066276630.db2.gz XYKZGLANBFVASK-UHFFFAOYSA-N 0 0 459.377 4.551 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Oc1ccc(-c2cscn2)cc1 ZINC001361047948 1066277183 /nfs/dbraw/zinc/27/71/83/1066277183.db2.gz NEBKIXZRUVXMOT-QGZVFWFLSA-N 0 0 456.589 4.901 20 0 JJADRN CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CC2)C1)NC(=O)OC(C)(C)C ZINC001545955090 1066277901 /nfs/dbraw/zinc/27/79/01/1066277901.db2.gz OWVWKJAAABSIDX-YADHBBJMSA-N 0 0 483.657 4.740 20 0 JJADRN CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001443186003 1066277984 /nfs/dbraw/zinc/27/79/84/1066277984.db2.gz KLQJZMIVUQTIMX-FQEVSTJZSA-N 0 0 458.530 4.907 20 0 JJADRN Cc1cc(-c2nnc(N3CC[C@@H](C)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361048704 1066278360 /nfs/dbraw/zinc/27/83/60/1066278360.db2.gz GUQLPJMZHAHKIC-MRXNPFEDSA-N 0 0 486.567 4.808 20 0 JJADRN Cc1cc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CC[C@H](C)C2)c2ccccc2n1 ZINC001361048656 1066278480 /nfs/dbraw/zinc/27/84/80/1066278480.db2.gz FWPOIZJAEZLZBZ-HKUYNNGSSA-N 0 0 491.558 4.616 20 0 JJADRN CC(C)c1ccc(OCC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC001443196272 1066278615 /nfs/dbraw/zinc/27/86/15/1066278615.db2.gz BJZFCIAYTMGUPI-UHFFFAOYSA-N 0 0 453.583 4.796 20 0 JJADRN C[C@H](C1CC1)n1nccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 ZINC001443201837 1066279214 /nfs/dbraw/zinc/27/92/14/1066279214.db2.gz FMFZBOWGADLYNE-QGZVFWFLSA-N 0 0 451.571 4.976 20 0 JJADRN Cc1cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCn2cc(Cl)cn2)c2ccccc2n1 ZINC001361049226 1066280768 /nfs/dbraw/zinc/28/07/68/1066280768.db2.gz WWLRNOGPCQLRHD-UHFFFAOYSA-N 0 0 468.005 4.603 20 0 JJADRN Nc1c(Br)cc(F)cc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC001443215009 1066280953 /nfs/dbraw/zinc/28/09/53/1066280953.db2.gz JHOXMFJWTKOZOE-UHFFFAOYSA-N 0 0 458.118 4.974 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361049299 1066281468 /nfs/dbraw/zinc/28/14/68/1066281468.db2.gz YYGNFWLXCCGHJQ-UNVFRBQDSA-N 0 0 451.615 4.603 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001454436859 1066281416 /nfs/dbraw/zinc/28/14/16/1066281416.db2.gz BNMVGZYBTKABRK-UHFFFAOYSA-N 0 0 456.542 4.531 20 0 JJADRN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001443218445 1066281377 /nfs/dbraw/zinc/28/13/77/1066281377.db2.gz SPLOAKOLMNVXQO-INIZCTEOSA-N 0 0 458.267 4.799 20 0 JJADRN Cc1ccc(C)c(C(=O)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001454438450 1066282340 /nfs/dbraw/zinc/28/23/40/1066282340.db2.gz ZXUQAEHCCXIZBD-JPYJTQIMSA-N 0 0 458.961 4.783 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Br)N1CCN(Cc2cccc3cccnc32)CC1 ZINC001454447605 1066283760 /nfs/dbraw/zinc/28/37/60/1066283760.db2.gz ABQQPYHHIVUKQM-UHFFFAOYSA-N 0 0 458.787 4.538 20 0 JJADRN Cc1cc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCOC(C)(C)C)c2ccccc2n1 ZINC001361050117 1066284157 /nfs/dbraw/zinc/28/41/57/1066284157.db2.gz UKTFBEOICOSNHZ-UHFFFAOYSA-N 0 0 494.640 4.531 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C ZINC001454457480 1066284221 /nfs/dbraw/zinc/28/42/21/1066284221.db2.gz BDHAYPPNVUOPLC-MCYKXBRJSA-N 0 0 451.007 4.956 20 0 JJADRN COc1ccc(Cn2nccc2NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC001443248064 1066284340 /nfs/dbraw/zinc/28/43/40/1066284340.db2.gz VAANLXLAUQAILS-QGZVFWFLSA-N 0 0 450.539 4.778 20 0 JJADRN Cc1cc(-c2nnc(N3CCC[C@@H]3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361050058 1066284458 /nfs/dbraw/zinc/28/44/58/1066284458.db2.gz SNOOYVVNYPMZTH-MJGOQNOKSA-N 0 0 464.614 4.951 20 0 JJADRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C ZINC001454457491 1066284446 /nfs/dbraw/zinc/28/44/46/1066284446.db2.gz BDHAYPPNVUOPLC-QOJCHSLYSA-N 0 0 451.007 4.956 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1csc(-c2ccc(O)cc2)n1 ZINC001454459578 1066285348 /nfs/dbraw/zinc/28/53/48/1066285348.db2.gz GTSBGAOMXMLKAB-NZSAHSFTSA-N 0 0 457.596 4.670 20 0 JJADRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3[C@H]4CCCN(C(=O)OC(C)(C)C)[C@@H]4C3(C)C)c21 ZINC001454463092 1066285866 /nfs/dbraw/zinc/28/58/66/1066285866.db2.gz KCKIKVLTEQZLOA-ZQMYSKGWSA-N 0 0 455.599 4.649 20 0 JJADRN CC[C@H](C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC001361050903 1066285733 /nfs/dbraw/zinc/28/57/33/1066285733.db2.gz FUABSQHATUAWCE-LOSJGSFVSA-N 0 0 451.588 4.807 20 0 JJADRN CCC(CC)(C(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(OC)c(OC)c1 ZINC001443262444 1066286523 /nfs/dbraw/zinc/28/65/23/1066286523.db2.gz BTJIOTVLWHSJDG-QFIPXVFZSA-N 0 0 459.590 4.892 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2ccn(C)c2-c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001361051718 1066286336 /nfs/dbraw/zinc/28/63/36/1066286336.db2.gz YWIBGXVXRDXLMC-VWLOTQADSA-N 0 0 458.583 4.923 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(ccc(Br)c4C)[nH]3)CC2)cc1 ZINC001454466801 1066286689 /nfs/dbraw/zinc/28/66/89/1066286689.db2.gz UVGJNIZHDKSJQR-UHFFFAOYSA-N 0 0 454.368 4.582 20 0 JJADRN Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC001454468934 1066287165 /nfs/dbraw/zinc/28/71/65/1066287165.db2.gz JYTZGNWRXWOVRJ-UHFFFAOYSA-N 0 0 459.493 4.622 20 0 JJADRN Cc1cc(-c2nnc(N3CCSCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052105 1066287087 /nfs/dbraw/zinc/28/70/87/1066287087.db2.gz LXUNLYNTHAGZHJ-UHFFFAOYSA-N 0 0 482.654 4.658 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC001443265168 1066287340 /nfs/dbraw/zinc/28/73/40/1066287340.db2.gz LDPKNSFDJUSAFV-SFHVURJKSA-N 0 0 458.628 4.561 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)C2)cc1F ZINC001454471281 1066287803 /nfs/dbraw/zinc/28/78/03/1066287803.db2.gz YHBWACMHNDZNHV-XXBNENTESA-N 0 0 454.542 4.685 20 0 JJADRN Cc1cc(-c2nnc(Nc3ccn(C)n3)n2CCCN(C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052509 1066287894 /nfs/dbraw/zinc/28/78/94/1066287894.db2.gz SAYDXHOJRDHNSV-UHFFFAOYSA-N 0 0 476.585 4.536 20 0 JJADRN Cc1cc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCCCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001361052862 1066288321 /nfs/dbraw/zinc/28/83/21/1066288321.db2.gz YZTKXELOLVAGJW-UTKZUKDTSA-N 0 0 482.604 4.901 20 0 JJADRN CC[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCCOC1)OC ZINC001545956431 1066288510 /nfs/dbraw/zinc/28/85/10/1066288510.db2.gz CCTOWRGRQOBTFO-ICSRJNTNSA-N 0 0 455.628 4.665 20 0 JJADRN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001443270037 1066288558 /nfs/dbraw/zinc/28/85/58/1066288558.db2.gz ZATKKKONTLRCPI-OAQYLSRUSA-N 0 0 459.537 4.811 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001361053267 1066288786 /nfs/dbraw/zinc/28/87/86/1066288786.db2.gz DDVNDRHNWBWGGO-JYFHCDHNSA-N 0 0 456.631 4.613 20 0 JJADRN O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCc2cc(F)cc(Br)c2C1 ZINC001454475506 1066288938 /nfs/dbraw/zinc/28/89/38/1066288938.db2.gz OYFMGNXGIODGGI-HXUWFJFHSA-N 0 0 451.767 4.791 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1)Oc1cccc(F)c1 ZINC001545956501 1066289125 /nfs/dbraw/zinc/28/91/25/1066289125.db2.gz CTNBBYSZOKYIDZ-IAGOWNOFSA-N 0 0 494.434 4.974 20 0 JJADRN COC[C@H](C)N(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001454477687 1066289822 /nfs/dbraw/zinc/28/98/22/1066289822.db2.gz VCNJOFNPXYZDBA-HFSMHLIXSA-N 0 0 450.645 4.574 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCOC[C@@H]2C)no1 ZINC001361054717 1066290687 /nfs/dbraw/zinc/29/06/87/1066290687.db2.gz CGNMVZWJBXIGJS-YJBOKZPZSA-N 0 0 474.403 4.621 20 0 JJADRN CC[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)Oc1ccccc1F ZINC001545956763 1066291029 /nfs/dbraw/zinc/29/10/29/1066291029.db2.gz IUMCPBOYHMFUMG-MAUKXSAKSA-N 0 0 450.967 4.876 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)N=c1sccn1Cc1ccccc1F ZINC001443295986 1066291064 /nfs/dbraw/zinc/29/10/64/1066291064.db2.gz SESLODAZPZYWAY-UHFFFAOYSA-N 0 0 453.539 4.776 20 0 JJADRN O=C(CCc1ccc(Br)cc1F)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001454488966 1066291506 /nfs/dbraw/zinc/29/15/06/1066291506.db2.gz ISLXNOYVZUFFAT-IEBWSBKVSA-N 0 0 471.164 4.618 20 0 JJADRN Cc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCOC(C)(C)C)c1 ZINC001361054829 1066291526 /nfs/dbraw/zinc/29/15/26/1066291526.db2.gz HVYXIHSOIVKUBH-UHFFFAOYSA-N 0 0 460.420 4.806 20 0 JJADRN O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001454490888 1066291948 /nfs/dbraw/zinc/29/19/48/1066291948.db2.gz CVIHBSINDYSCTB-KUHUBIRLSA-N 0 0 466.738 4.554 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2C)C1)OC ZINC001545956793 1066291969 /nfs/dbraw/zinc/29/19/69/1066291969.db2.gz JDJXBNUONPXUMC-PKOBYXMFSA-N 0 0 472.431 4.773 20 0 JJADRN Nc1c(Br)cc(Cl)cc1C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001454490422 1066292034 /nfs/dbraw/zinc/29/20/34/1066292034.db2.gz QEISJCFYGJWOAL-CQSZACIVSA-N 0 0 452.563 4.845 20 0 JJADRN C[C@H](c1ccccc1)N1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC001454491378 1066292129 /nfs/dbraw/zinc/29/21/29/1066292129.db2.gz DUCQLPJBRYVNFT-HXUWFJFHSA-N 0 0 454.640 4.718 20 0 JJADRN CCON1CCC(CC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)CC1 ZINC001443302708 1066292547 /nfs/dbraw/zinc/29/25/47/1066292547.db2.gz JFROMQTZVZVCJA-UHFFFAOYSA-N 0 0 450.583 4.577 20 0 JJADRN Cc1cc(O)cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 ZINC001454495355 1066292588 /nfs/dbraw/zinc/29/25/88/1066292588.db2.gz ICNOGYPYLGFNSK-UHFFFAOYSA-N 0 0 454.939 4.985 20 0 JJADRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H]2CCCN(CC(F)F)C2)C3)cc1 ZINC001443305728 1066292958 /nfs/dbraw/zinc/29/29/58/1066292958.db2.gz VYJHRRZODWQCIY-IBGZPJMESA-N 0 0 456.537 4.501 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CC(Cc3ccccc3Br)C2)c1 ZINC001454497641 1066293332 /nfs/dbraw/zinc/29/33/32/1066293332.db2.gz SEIDJXFDIJCZFW-UHFFFAOYSA-N 0 0 457.412 4.882 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CCCC(F)(F)F)no1 ZINC001361055059 1066293177 /nfs/dbraw/zinc/29/31/77/1066293177.db2.gz QAMLIHBLLOGYHT-UHFFFAOYSA-N 0 0 458.282 4.983 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Br)cc3Cl)n2CCc2nccs2)no1 ZINC001361055133 1066293218 /nfs/dbraw/zinc/29/32/18/1066293218.db2.gz RXHDSZPYSCMFIP-UHFFFAOYSA-N 0 0 493.818 4.993 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2cc(C)oc2C)no1 ZINC001361055262 1066293364 /nfs/dbraw/zinc/29/33/64/1066293364.db2.gz UITZWYITHLEPGN-QHCPKHFHSA-N 0 0 455.946 4.649 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCSCC(F)(F)F)no1 ZINC001361055444 1066293905 /nfs/dbraw/zinc/29/39/05/1066293905.db2.gz XLRFOXMANWKKBN-UHFFFAOYSA-N 0 0 490.349 4.936 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccnc(-c4ccccc4)c3)cc2)cc1 ZINC001454506173 1066294322 /nfs/dbraw/zinc/29/43/22/1066294322.db2.gz OGCUSLWTIRKASX-UHFFFAOYSA-N 0 0 457.555 4.788 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)C(=O)c2ccc(Cl)s2)c2ccc(OC)cc2)n1 ZINC001361055745 1066294329 /nfs/dbraw/zinc/29/43/29/1066294329.db2.gz QATPJZJGHJBMJE-UHFFFAOYSA-N 0 0 450.925 4.591 20 0 JJADRN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001454506392 1066294374 /nfs/dbraw/zinc/29/43/74/1066294374.db2.gz XBMRPZGHIAEYED-UHFFFAOYSA-N 0 0 454.499 4.693 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccns3)cc2)c(C)c1C ZINC001454504194 1066294636 /nfs/dbraw/zinc/29/46/36/1066294636.db2.gz PZWSPJIJAITSOR-GOSISDBHSA-N 0 0 457.621 4.977 20 0 JJADRN CC(C)n1cnnc1SCC(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC001443315017 1066294398 /nfs/dbraw/zinc/29/43/98/1066294398.db2.gz XRMXJDMXSUNSMH-UHFFFAOYSA-N 0 0 455.628 4.839 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C)OC ZINC001545956890 1066294550 /nfs/dbraw/zinc/29/45/50/1066294550.db2.gz KRNDLFQAJMRWIS-ILZDJORESA-N 0 0 472.431 4.854 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCN(C)CC(F)(F)F)no1 ZINC001361055575 1066294624 /nfs/dbraw/zinc/29/46/24/1066294624.db2.gz ZBVFIZLKNOFHQJ-HNNXBMFYSA-N 0 0 496.603 4.948 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)C2CCCCC2)no1 ZINC001361056059 1066295062 /nfs/dbraw/zinc/29/50/62/1066295062.db2.gz AWMVUZFGMPORMI-UHFFFAOYSA-N 0 0 491.423 4.976 20 0 JJADRN Cc1nnc(-c2ccc(NC(=O)[C@@H]3Cc4c(cc(C)cc4F)N3C(=O)OC(C)(C)C)cc2)o1 ZINC001361056011 1066295084 /nfs/dbraw/zinc/29/50/84/1066295084.db2.gz ZAXXXGUTFWCRLI-FQEVSTJZSA-N 0 0 452.486 4.797 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCC4(CCSCC4)CC3)c2)cc1 ZINC001454516728 1066294945 /nfs/dbraw/zinc/29/49/45/1066294945.db2.gz BHMXMEVERGMVSJ-UHFFFAOYSA-N 0 0 458.649 4.570 20 0 JJADRN CCN1c2ccc(NC(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512576 1066295012 /nfs/dbraw/zinc/29/50/12/1066295012.db2.gz NGFGXEKQUYGOPZ-NRFANRHFSA-N 0 0 455.986 4.715 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(C)C)no1 ZINC001361056179 1066295909 /nfs/dbraw/zinc/29/59/09/1066295909.db2.gz GLZXPXIDUQUEOA-UHFFFAOYSA-N 0 0 452.946 4.762 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)C1 ZINC001546062894 1066296598 /nfs/dbraw/zinc/29/65/98/1066296598.db2.gz YSJXHKOJXQBDTG-DFBJGRDBSA-N 0 0 452.603 4.986 20 0 JJADRN Cc1cc(CN(C)c2nnc(-c3ccccc3Br)n2CC[C@H]2CCCCO2)no1 ZINC001361056312 1066296577 /nfs/dbraw/zinc/29/65/77/1066296577.db2.gz LOKGBWIYNVPCBH-QGZVFWFLSA-N 0 0 460.376 4.600 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)n1 ZINC001454528266 1066296757 /nfs/dbraw/zinc/29/67/57/1066296757.db2.gz IHVVYLHIJUXDFP-UHFFFAOYSA-N 0 0 452.477 4.569 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC001443341958 1066297078 /nfs/dbraw/zinc/29/70/78/1066297078.db2.gz ZZYXUVLTTDVGEL-BEFAXECRSA-N 0 0 451.633 4.610 20 0 JJADRN CN(Cc1nc2ccccc2n1C)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001443340772 1066297169 /nfs/dbraw/zinc/29/71/69/1066297169.db2.gz YPTJPDXBAPQQCY-UHFFFAOYSA-N 0 0 451.324 4.795 20 0 JJADRN Cc1cc(C(F)(F)F)n2nc(C(=O)NC(C)(C)Cc3cccc(Br)c3)cc2n1 ZINC001361057306 1066297847 /nfs/dbraw/zinc/29/78/47/1066297847.db2.gz LQSAFWBYLCKVMZ-UHFFFAOYSA-N 0 0 455.278 4.570 20 0 JJADRN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1nscc1I ZINC001454539652 1066297809 /nfs/dbraw/zinc/29/78/09/1066297809.db2.gz MSAPKIFPVBCRJO-CYBMUJFWSA-N 0 0 457.724 4.690 20 0 JJADRN CCON(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)[C@H](C)c1cccc(Br)c1 ZINC001454541173 1066298339 /nfs/dbraw/zinc/29/83/39/1066298339.db2.gz MDRTVWHJODCROO-QVKFZJNVSA-N 0 0 458.356 4.514 20 0 JJADRN COC(=O)C[C@H]1CSCCN1C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 ZINC001361058358 1066298356 /nfs/dbraw/zinc/29/83/56/1066298356.db2.gz ASHOZWCPMIOILI-INIZCTEOSA-N 0 0 459.564 4.985 20 0 JJADRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3nc4ccccc4cc3Br)ccc2NC1=O ZINC001361057872 1066298413 /nfs/dbraw/zinc/29/84/13/1066298413.db2.gz UUEOHHBIRLEWBR-KZULUSFZSA-N 0 0 454.324 4.598 20 0 JJADRN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(F)c(OCc4ccccc4)c(F)c3)cc21 ZINC001361058874 1066298461 /nfs/dbraw/zinc/29/84/61/1066298461.db2.gz RXZQKQVUADLVES-UHFFFAOYSA-N 0 0 451.473 4.888 20 0 JJADRN C[C@@H]1CC[C@H](NC(=O)c2cccc(COc3cccc(C=O)c3)c2)CN1C(=O)OC(C)(C)C ZINC001454546329 1066298943 /nfs/dbraw/zinc/29/89/43/1066298943.db2.gz BCVFXWPLUPDRBZ-GCJKJVERSA-N 0 0 452.551 4.596 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccncc2)c1 ZINC001454547086 1066299086 /nfs/dbraw/zinc/29/90/86/1066299086.db2.gz AJHOFPLGSCMOQB-HXUWFJFHSA-N 0 0 451.592 4.611 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2ccncc2)c1 ZINC001454547084 1066299180 /nfs/dbraw/zinc/29/91/80/1066299180.db2.gz AJHOFPLGSCMOQB-FQEVSTJZSA-N 0 0 451.592 4.611 20 0 JJADRN COc1ccc(C(C)(C)CNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1OC ZINC001443354987 1066299104 /nfs/dbraw/zinc/29/91/04/1066299104.db2.gz FKSHFQFFCARXJA-UHFFFAOYSA-N 0 0 453.485 4.921 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)c1 ZINC001361059637 1066299559 /nfs/dbraw/zinc/29/95/59/1066299559.db2.gz CRCHVKIFTZLYOA-PKTZIBPZSA-N 0 0 483.657 4.907 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(F)(F)F)cs2)c1 ZINC001361060104 1066299719 /nfs/dbraw/zinc/29/97/19/1066299719.db2.gz JRCFOWBBNVTHQL-MRXNPFEDSA-N 0 0 451.518 4.641 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)no1 ZINC001361060429 1066300021 /nfs/dbraw/zinc/30/00/21/1066300021.db2.gz NWDLOLLYULRRPJ-VQIMIIECSA-N 0 0 478.366 4.578 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)n2)cc1 ZINC001454550792 1066300099 /nfs/dbraw/zinc/30/00/99/1066300099.db2.gz WKWNHWYGWRWCDM-RTBURBONSA-N 0 0 454.615 4.996 20 0 JJADRN Cc1cc(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccccc2F)no1 ZINC001361060454 1066300112 /nfs/dbraw/zinc/30/01/12/1066300112.db2.gz OJVNKBOARRMSHK-HXUWFJFHSA-N 0 0 498.603 4.707 20 0 JJADRN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001545957383 1066300521 /nfs/dbraw/zinc/30/05/21/1066300521.db2.gz UWOOVTWETFFUIZ-WOJBJXKFSA-N 0 0 494.640 4.578 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cc1 ZINC001454557518 1066300688 /nfs/dbraw/zinc/30/06/88/1066300688.db2.gz ZLJWHCOKKLCWTQ-CDNPAEQRSA-N 0 0 456.380 4.901 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNC(=O)C2CCC2)C1 ZINC001546062446 1066300710 /nfs/dbraw/zinc/30/07/10/1066300710.db2.gz QQDYKHQJCOAICK-JIPXPUAJSA-N 0 0 467.658 4.968 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCCCC1 ZINC001454559330 1066301166 /nfs/dbraw/zinc/30/11/66/1066301166.db2.gz NGQBJDFJHPVFSR-QFIPXVFZSA-N 0 0 451.592 4.726 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1 ZINC001454557528 1066301431 /nfs/dbraw/zinc/30/14/31/1066301431.db2.gz ZLJWHCOKKLCWTQ-YFXJRYMSSA-N 0 0 456.380 4.901 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c(C)n1C[C@H]1CCCOC1 ZINC001443358940 1066301523 /nfs/dbraw/zinc/30/15/23/1066301523.db2.gz MXWOQGBDHLLUID-ZEQKJWHPSA-N 0 0 459.590 4.511 20 0 JJADRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001454571736 1066302201 /nfs/dbraw/zinc/30/22/01/1066302201.db2.gz KGENBTIFMNIMGA-HSZRJFAPSA-N 0 0 451.542 4.636 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCCC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001454571205 1066302228 /nfs/dbraw/zinc/30/22/28/1066302228.db2.gz CXAAQYLQDGNMQR-WGSAOQKQSA-N 0 0 455.640 4.661 20 0 JJADRN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001454573988 1066303308 /nfs/dbraw/zinc/30/33/08/1066303308.db2.gz IBWZKWSLGSTECA-RUZDIDTESA-N 0 0 459.521 4.541 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361064355 1066303298 /nfs/dbraw/zinc/30/32/98/1066303298.db2.gz BAZUYUNMMRIBEF-IBGZPJMESA-N 0 0 469.680 4.746 20 0 JJADRN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)c1 ZINC001443380830 1066303614 /nfs/dbraw/zinc/30/36/14/1066303614.db2.gz CMTFUQZBDGHUHA-UHFFFAOYSA-N 0 0 457.285 4.838 20 0 JJADRN Cc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361064356 1066303667 /nfs/dbraw/zinc/30/36/67/1066303667.db2.gz BAZUYUNMMRIBEF-LJQANCHMSA-N 0 0 469.680 4.746 20 0 JJADRN Cc1cccc([C@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)C(C)C)c1 ZINC001454577382 1066303705 /nfs/dbraw/zinc/30/37/05/1066303705.db2.gz RMYPGGASRGGXGI-RUZDIDTESA-N 0 0 450.604 4.909 20 0 JJADRN CC(C)(C)n1ncc(C(=O)Nc2ccc3[nH]c(CN4CCCCC4)nc3c2)c1Br ZINC001443383670 1066304242 /nfs/dbraw/zinc/30/42/42/1066304242.db2.gz CUGRUDIMSZMIJQ-UHFFFAOYSA-N 0 0 459.392 4.515 20 0 JJADRN Cc1cc(CN(C)c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC[C@H](C)C2)no1 ZINC001361064951 1066304366 /nfs/dbraw/zinc/30/43/66/1066304366.db2.gz YPAVMVKAYGRANH-RDJZCZTQSA-N 0 0 474.403 4.989 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccccc1Cl ZINC001361065368 1066304675 /nfs/dbraw/zinc/30/46/75/1066304675.db2.gz QCRJMZXIZFSRPW-QFIPXVFZSA-N 0 0 454.885 4.964 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccccc1Cl ZINC001361065225 1066304959 /nfs/dbraw/zinc/30/49/59/1066304959.db2.gz KGRKABPRTZIXSN-IBGZPJMESA-N 0 0 450.844 4.592 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccnc(OCc3ccccc3)c2)CC(C)(C)C1 ZINC001454584735 1066304902 /nfs/dbraw/zinc/30/49/02/1066304902.db2.gz UYSULFSIVKLCTR-OAQYLSRUSA-N 0 0 453.583 4.816 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001454589567 1066305246 /nfs/dbraw/zinc/30/52/46/1066305246.db2.gz GQYHAVVZDADKDE-UHFFFAOYSA-N 0 0 453.674 4.790 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)NCCc1c[nH]c3cccc(C)c13)N2C(=O)OC(C)(C)C ZINC001443390190 1066305235 /nfs/dbraw/zinc/30/52/35/1066305235.db2.gz JCNGZVDBSQTASC-QFIPXVFZSA-N 0 0 451.542 4.949 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC001454586305 1066305373 /nfs/dbraw/zinc/30/53/73/1066305373.db2.gz IKEXUAWDCKURQT-ZBFHGGJFSA-N 0 0 450.004 4.885 20 0 JJADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001454586289 1066305492 /nfs/dbraw/zinc/30/54/92/1066305492.db2.gz ICUJJNVOLFNCDC-SWLSCSKDSA-N 0 0 453.402 4.720 20 0 JJADRN C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)C[C@H](C)O1 ZINC000030575739 1066305628 /nfs/dbraw/zinc/30/56/28/1066305628.db2.gz DRBHJXQHXJRIJC-IRXDYDNUSA-N 0 0 456.612 4.523 20 0 JJADRN COC(=O)c1occc1CN(C(=O)Cc1c[nH]c2cccc(Cl)c12)[C@@H](C)c1ccccn1 ZINC001361066377 1066305703 /nfs/dbraw/zinc/30/57/03/1066305703.db2.gz WIAIWDAUDXHXER-HNNXBMFYSA-N 0 0 451.910 4.928 20 0 JJADRN CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC001454591438 1066306016 /nfs/dbraw/zinc/30/60/16/1066306016.db2.gz RQHOSAGCOMGWEP-UHFFFAOYSA-N 0 0 452.599 4.967 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2cccc(C)c2)no1 ZINC001361066309 1066306045 /nfs/dbraw/zinc/30/60/45/1066306045.db2.gz HQHFGHYGFTWGRB-NRFANRHFSA-N 0 0 466.586 4.640 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCCO)c1 ZINC001361066469 1066306383 /nfs/dbraw/zinc/30/63/83/1066306383.db2.gz KHERFFURPQEMLM-QFIPXVFZSA-N 0 0 471.646 4.848 20 0 JJADRN O=C(N[C@H](C(=O)N1CCC(COc2ccccc2)CC1)c1ccccc1)OCc1ccccc1 ZINC001443406530 1066306540 /nfs/dbraw/zinc/30/65/40/1066306540.db2.gz JRBUTUFOSFFSLU-SANMLTNESA-N 0 0 458.558 4.972 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC001443404940 1066306690 /nfs/dbraw/zinc/30/66/90/1066306690.db2.gz DFQPUXARJQZGGU-KRWDZBQOSA-N 0 0 458.747 4.760 20 0 JJADRN Cc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)c1 ZINC001361066777 1066306703 /nfs/dbraw/zinc/30/67/03/1066306703.db2.gz RRFDFUBNVFSBAI-BHIFYINESA-N 0 0 467.614 4.686 20 0 JJADRN COc1ccc(-c2cncc(C(=O)N3C4CCC3(CNC(=O)OC(C)(C)C)CC4)c2)c(C)c1 ZINC001454593084 1066306882 /nfs/dbraw/zinc/30/68/82/1066306882.db2.gz QWEYRHDEDIBGGU-UHFFFAOYSA-N 0 0 451.567 4.728 20 0 JJADRN CN(C(=O)c1cc(Br)ccc1I)c1cccc2cc[nH]c21 ZINC001454595735 1066307367 /nfs/dbraw/zinc/30/73/67/1066307367.db2.gz BKZYUZHEOPLFAE-UHFFFAOYSA-N 0 0 455.093 4.812 20 0 JJADRN O=C(Nc1ccc(Oc2ccccc2)cn1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001443411168 1066308057 /nfs/dbraw/zinc/30/80/57/1066308057.db2.gz DURLVERETICNRA-LJQANCHMSA-N 0 0 452.308 4.628 20 0 JJADRN Cc1cc(Cn2c(C(C)C)nnc2N(C)CC2CN(C(=O)OCc3ccccc3)C2)cs1 ZINC001361067305 1066308083 /nfs/dbraw/zinc/30/80/83/1066308083.db2.gz MSAVTTLDSCNJIY-UHFFFAOYSA-N 0 0 453.612 4.525 20 0 JJADRN CCCOc1cccc(CC(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001454598285 1066308174 /nfs/dbraw/zinc/30/81/74/1066308174.db2.gz DYUFDYDMDGGNCB-UHFFFAOYSA-N 0 0 458.602 4.941 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC001454600132 1066308240 /nfs/dbraw/zinc/30/82/40/1066308240.db2.gz KPOLQFFHBCLJSR-AWEZNQCLSA-N 0 0 456.490 4.856 20 0 JJADRN COc1ccc2cc([C@@H](C)OC(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)ccc2c1 ZINC001361068570 1066308375 /nfs/dbraw/zinc/30/83/75/1066308375.db2.gz HIBTUUMKKGYQBK-OAHLLOKOSA-N 0 0 459.951 4.960 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC001361068747 1066308457 /nfs/dbraw/zinc/30/84/57/1066308457.db2.gz JYVVLGBPSBAVII-HNNXBMFYSA-N 0 0 453.402 4.950 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CCC(C)C)C1 ZINC001546063695 1066308586 /nfs/dbraw/zinc/30/85/86/1066308586.db2.gz AUIXIPJYAGKGGX-LEWJYISDSA-N 0 0 452.441 4.849 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)C1(F)F ZINC001454601014 1066308822 /nfs/dbraw/zinc/30/88/22/1066308822.db2.gz XPPAMSZFQHJRBW-VXGBXAGGSA-N 0 0 478.443 4.568 20 0 JJADRN O=C(N[C@@H](C(=O)Nc1nnc(-c2c(F)cccc2F)s1)c1ccccc1)c1ccccc1 ZINC001454603863 1066308861 /nfs/dbraw/zinc/30/88/61/1066308861.db2.gz ILNVZAKQQHMMMX-LJQANCHMSA-N 0 0 450.470 4.593 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)OC ZINC001545958358 1066309143 /nfs/dbraw/zinc/30/91/43/1066309143.db2.gz BKXMEESJTWRRHQ-YJBOKZPZSA-N 0 0 462.367 4.594 20 0 JJADRN CCCN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001361069087 1066309052 /nfs/dbraw/zinc/30/90/52/1066309052.db2.gz QEEGVQUKKOELQJ-PKTZIBPZSA-N 0 0 457.590 4.671 20 0 JJADRN O=C(c1cc(Cl)cc2ccccc21)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC001454608386 1066309421 /nfs/dbraw/zinc/30/94/21/1066309421.db2.gz KWLNCOICZRDPGP-UHFFFAOYSA-N 0 0 457.755 4.740 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2cnc(C(C)C)nc2)no1 ZINC001361070154 1066309271 /nfs/dbraw/zinc/30/92/71/1066309271.db2.gz DOPPJDVMKMKRKG-FQEVSTJZSA-N 0 0 475.597 4.929 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1 ZINC001361069653 1066309327 /nfs/dbraw/zinc/30/93/27/1066309327.db2.gz ZJQCUWUIVLVCBY-UHFFFAOYSA-N 0 0 451.520 4.662 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cs1 ZINC001361070156 1066309533 /nfs/dbraw/zinc/30/95/33/1066309533.db2.gz DQBOAGIWWOXQFJ-AABGKKOBSA-N 0 0 490.695 4.711 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)no1 ZINC001361070486 1066309847 /nfs/dbraw/zinc/30/98/47/1066309847.db2.gz NKRJKNLQOBFJIA-MZNJEOGPSA-N 0 0 457.550 4.543 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4ccc(C=O)cc4)cc3)cc2F)n1 ZINC001454611289 1066309917 /nfs/dbraw/zinc/30/99/17/1066309917.db2.gz CYFSSXQJXHAVQM-UHFFFAOYSA-N 0 0 457.461 4.920 20 0 JJADRN CSc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001454609658 1066309949 /nfs/dbraw/zinc/30/99/49/1066309949.db2.gz PUNALFXWSQPSTE-INIZCTEOSA-N 0 0 458.580 4.944 20 0 JJADRN CCN(CCCNC(=O)CCSc1ncnc2sc(C)c(C)c21)C(=O)OC(C)(C)C ZINC001443430781 1066309878 /nfs/dbraw/zinc/30/98/78/1066309878.db2.gz MUKNFHXNQSGEFH-UHFFFAOYSA-N 0 0 452.646 4.554 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001545958399 1066309997 /nfs/dbraw/zinc/30/99/97/1066309997.db2.gz BZGOFSGZNSTKAP-KSSFIOAISA-N 0 0 498.347 4.997 20 0 JJADRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC)Oc1cccc(F)c1 ZINC001545958417 1066310101 /nfs/dbraw/zinc/31/01/01/1066310101.db2.gz CNDMITORCIUQOP-INIZCTEOSA-N 0 0 450.356 4.879 20 0 JJADRN Cc1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)no1 ZINC001361070969 1066310790 /nfs/dbraw/zinc/31/07/90/1066310790.db2.gz ZUEZQVJENIIDEZ-HOCLYGCPSA-N 0 0 456.547 4.598 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C)[C@@H]2C)cs1 ZINC001361071023 1066310891 /nfs/dbraw/zinc/31/08/91/1066310891.db2.gz BTUUXMZPAFGXPD-KBPBESRZSA-N 0 0 466.474 4.795 20 0 JJADRN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001454626355 1066310887 /nfs/dbraw/zinc/31/08/87/1066310887.db2.gz OCEAJLUQXYVZJV-UHFFFAOYSA-N 0 0 452.501 4.909 20 0 JJADRN COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001454626469 1066310906 /nfs/dbraw/zinc/31/09/06/1066310906.db2.gz HXIFXMXAFGEFOB-QFIPXVFZSA-N 0 0 458.382 4.553 20 0 JJADRN Cc1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)no1 ZINC001361070968 1066311045 /nfs/dbraw/zinc/31/10/45/1066311045.db2.gz ZUEZQVJENIIDEZ-GOEBONIOSA-N 0 0 456.547 4.598 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cs1 ZINC001361071041 1066311272 /nfs/dbraw/zinc/31/12/72/1066311272.db2.gz CGPDTFKIXBMHAE-MRXNPFEDSA-N 0 0 485.462 4.684 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CC(=O)NC(C)(C)C)no1 ZINC001361071039 1066311642 /nfs/dbraw/zinc/31/16/42/1066311642.db2.gz CGDFNMNXFBGRKO-UHFFFAOYSA-N 0 0 482.585 4.508 20 0 JJADRN COc1ccccc1NC(=O)c1c(C)[nH]nc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001454627932 1066311938 /nfs/dbraw/zinc/31/19/38/1066311938.db2.gz ANGNJQAHLDKNII-UHFFFAOYSA-N 0 0 451.870 4.540 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H](C)c2nccs2)no1 ZINC001361071701 1066311981 /nfs/dbraw/zinc/31/19/81/1066311981.db2.gz MXAVUCHAADWNNH-CYBMUJFWSA-N 0 0 473.400 4.749 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N(C)Cc2cscn2)no1 ZINC001361071771 1066312109 /nfs/dbraw/zinc/31/21/09/1066312109.db2.gz OVSJNGQEHNPDOL-UHFFFAOYSA-N 0 0 479.791 4.799 20 0 JJADRN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC(F)(F)F)CC2CC2)no1 ZINC001361071968 1066312625 /nfs/dbraw/zinc/31/26/25/1066312625.db2.gz SKYPXZRDQOEYQP-UHFFFAOYSA-N 0 0 473.297 4.549 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2nccs2)C1 ZINC001546063956 1066312605 /nfs/dbraw/zinc/31/26/05/1066312605.db2.gz GSUJTTXLKHXRQQ-XMMPIXPASA-N 0 0 471.627 4.687 20 0 JJADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2ccc(C)c3cccnc23)cc1 ZINC001443447232 1066312568 /nfs/dbraw/zinc/31/25/68/1066312568.db2.gz HLOLULNADVTKLL-UHFFFAOYSA-N 0 0 453.542 4.801 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Nc4ccccc4)c3)C2)s1 ZINC001443450658 1066313071 /nfs/dbraw/zinc/31/30/71/1066313071.db2.gz DTLRYNDYMAJMSM-SFHVURJKSA-N 0 0 455.605 4.840 20 0 JJADRN CCc1nnc(-c2ccc(NC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)cc2)o1 ZINC001361072359 1066313069 /nfs/dbraw/zinc/31/30/69/1066313069.db2.gz ZPFRYDOUJPFGPP-FQEVSTJZSA-N 0 0 455.356 4.837 20 0 JJADRN O=C(Cc1cc[nH]c(=O)c1Br)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001361072332 1066313124 /nfs/dbraw/zinc/31/31/24/1066313124.db2.gz YUBGTDBRWZTHLS-ZDUSSCGKSA-N 0 0 458.152 4.958 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC001454645053 1066313580 /nfs/dbraw/zinc/31/35/80/1066313580.db2.gz ICUUONMQGIWVGW-HNNXBMFYSA-N 0 0 456.302 4.767 20 0 JJADRN Cc1ccccc1O[C@H](C)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001492597890 1066314176 /nfs/dbraw/zinc/31/41/76/1066314176.db2.gz HNTVVHAWXDZXSM-NTKDMRAZSA-N 0 0 478.584 4.576 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073722 1066314614 /nfs/dbraw/zinc/31/46/14/1066314614.db2.gz OGNFYSGZWIMYDS-ROUUACIJSA-N 0 0 484.576 4.559 20 0 JJADRN COc1ccc(NC(=O)c2cccc(NC(=O)[C@H](C)Oc3ccccc3C(F)(F)F)c2)cn1 ZINC001361073799 1066314631 /nfs/dbraw/zinc/31/46/31/1066314631.db2.gz OBDFOKJSBBIPNE-AWEZNQCLSA-N 0 0 459.424 4.767 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2csc(Br)c2)no1 ZINC001361073605 1066314716 /nfs/dbraw/zinc/31/47/16/1066314716.db2.gz MMCSTDSXACOIRC-UHFFFAOYSA-N 0 0 479.791 4.799 20 0 JJADRN Cc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)no1 ZINC001361073467 1066314771 /nfs/dbraw/zinc/31/47/71/1066314771.db2.gz KEOULCUDTQZJGE-PMACEKPBSA-N 0 0 480.613 4.728 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)Cc1ccc(O)cc1 ZINC001443460735 1066314902 /nfs/dbraw/zinc/31/49/02/1066314902.db2.gz JIUTVCFUVHIALN-QAAVPBIRSA-N 0 0 455.963 4.935 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cs1 ZINC001361074046 1066314909 /nfs/dbraw/zinc/31/49/09/1066314909.db2.gz VIPKPXMZCPTVGD-INIZCTEOSA-N 0 0 489.045 4.763 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)Cc2c(Cl)cccc2Br)C1 ZINC001454653580 1066315478 /nfs/dbraw/zinc/31/54/78/1066315478.db2.gz CCDQVFBGCWNHFY-AWEZNQCLSA-N 0 0 459.812 4.941 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001454654312 1066315554 /nfs/dbraw/zinc/31/55/54/1066315554.db2.gz GCPOHVAQLPTICY-OTWHNJEPSA-N 0 0 455.640 4.612 20 0 JJADRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)cs1 ZINC001361074615 1066315559 /nfs/dbraw/zinc/31/55/59/1066315559.db2.gz JCWYLUIIAKVVHW-UHFFFAOYSA-N 0 0 490.402 4.592 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)C1 ZINC001454655635 1066315864 /nfs/dbraw/zinc/31/58/64/1066315864.db2.gz JVSKRPOOBNENHC-LPHOPBHVSA-N 0 0 454.489 4.689 20 0 JJADRN COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc21 ZINC001361075714 1066316268 /nfs/dbraw/zinc/31/62/68/1066316268.db2.gz MCCCLEYXZBXFSP-SANMLTNESA-N 0 0 456.542 4.993 20 0 JJADRN Cc1cc(C)n([C@H](C)CC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)n1 ZINC001443482268 1066316392 /nfs/dbraw/zinc/31/63/92/1066316392.db2.gz TWLPNEMURNOTQF-QGZVFWFLSA-N 0 0 459.363 4.977 20 0 JJADRN O=C([C@H](O)CCc1ccccc1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC001443483737 1066316892 /nfs/dbraw/zinc/31/68/92/1066316892.db2.gz ZRNDABCMMAJYET-JOCHJYFZSA-N 0 0 457.343 4.506 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001454657424 1066316806 /nfs/dbraw/zinc/31/68/06/1066316806.db2.gz WBGYKHVTFLJWAS-ZNLUXHQJSA-N 0 0 455.396 4.848 20 0 JJADRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001454660002 1066317151 /nfs/dbraw/zinc/31/71/51/1066317151.db2.gz NFBWGFQIQNUBGI-ACWOFJMJSA-N 0 0 456.302 4.776 20 0 JJADRN Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)ccc1F ZINC001361078192 1066317663 /nfs/dbraw/zinc/31/76/63/1066317663.db2.gz NUWLTYHJWIZGBQ-LJQANCHMSA-N 0 0 455.553 4.944 20 0 JJADRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N[C@H](CO)[C@H](O)c4ccccn4)CCC[C@]3(C)[C@H]2CC1 ZINC001454662079 1066317826 /nfs/dbraw/zinc/31/78/26/1066317826.db2.gz JGYDOFQSMWTWRZ-KDYAEJOPSA-N 0 0 452.639 4.727 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc(OC(F)(F)Cl)cc3)sc2C1 ZINC001443491562 1066317799 /nfs/dbraw/zinc/31/77/99/1066317799.db2.gz BBHAGUOYNVEZCK-UHFFFAOYSA-N 0 0 459.902 4.857 20 0 JJADRN CCc1c(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n[nH]c1-c1ccc(Br)cc1 ZINC001443493597 1066318168 /nfs/dbraw/zinc/31/81/68/1066318168.db2.gz ACDPJQVDAVXQJF-GFCCVEGCSA-N 0 0 451.365 4.643 20 0 JJADRN Cc1cc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@H](C)CC2)cs1 ZINC001361078441 1066318262 /nfs/dbraw/zinc/31/82/62/1066318262.db2.gz UDGZVWAYJGTFOQ-FXAWDEMLSA-N 0 0 475.659 4.631 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c(OC)c1 ZINC001361079123 1066318629 /nfs/dbraw/zinc/31/86/29/1066318629.db2.gz QOLLTGHJYBXBNR-QUCCMNQESA-N 0 0 451.592 4.913 20 0 JJADRN CC(C)n1cnnc1C1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001443494085 1066318775 /nfs/dbraw/zinc/31/87/75/1066318775.db2.gz NVTJVILJNUDVLC-NRFANRHFSA-N 0 0 455.603 4.611 20 0 JJADRN Cc1cc(Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361080438 1066319008 /nfs/dbraw/zinc/31/90/08/1066319008.db2.gz JIMJVTQMJIHMBD-KRWDZBQOSA-N 0 0 485.629 4.872 20 0 JJADRN Cc1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC001361080295 1066319206 /nfs/dbraw/zinc/31/92/06/1066319206.db2.gz CLRPHBXNYQXEBX-QGZVFWFLSA-N 0 0 485.629 4.872 20 0 JJADRN CCn1c2ccccc2nc1[C@H](C)NC(=O)C1(c2ccc(I)cc2)CC1 ZINC001443501767 1066319553 /nfs/dbraw/zinc/31/95/53/1066319553.db2.gz STYLXSLYYKPLOW-AWEZNQCLSA-N 0 0 459.331 4.570 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001546064489 1066320095 /nfs/dbraw/zinc/32/00/95/1066320095.db2.gz QIXQRGUHDDDTGR-AREMUKBSSA-N 0 0 479.629 4.876 20 0 JJADRN CC(C)Cc1ccc(-c2csc(NC(=O)c3cc(Cl)sc3S(N)(=O)=O)n2)cc1 ZINC001443505142 1066320241 /nfs/dbraw/zinc/32/02/41/1066320241.db2.gz STIQVNMITNXZDH-UHFFFAOYSA-N 0 0 456.014 4.623 20 0 JJADRN CCc1noc(COc2ccc(OC(=O)c3cc(Cl)cc(Br)c3F)cc2)n1 ZINC001361081293 1066320326 /nfs/dbraw/zinc/32/03/26/1066320326.db2.gz DMMCDOINFKKJTD-UHFFFAOYSA-N 0 0 455.667 4.985 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@]3(O)CCCC(C)(C)CC3)c2)c1 ZINC001454692825 1066320504 /nfs/dbraw/zinc/32/05/04/1066320504.db2.gz YMPDSALBORQQIU-VWLOTQADSA-N 0 0 458.624 4.555 20 0 JJADRN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)n2)cc1 ZINC001443507690 1066320940 /nfs/dbraw/zinc/32/09/40/1066320940.db2.gz UCDZRSVFSIRUQL-UHFFFAOYSA-N 0 0 456.524 4.568 20 0 JJADRN O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)NCC(=O)c1cccc(Cl)c1Cl ZINC001454695743 1066321075 /nfs/dbraw/zinc/32/10/75/1066321075.db2.gz DZYJPEZZLRRUMC-OAQYLSRUSA-N 0 0 458.341 4.995 20 0 JJADRN O=C(CSc1cccc(Br)c1)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001454695208 1066321088 /nfs/dbraw/zinc/32/10/88/1066321088.db2.gz QIJLLHXZSSZQRP-UHFFFAOYSA-N 0 0 450.402 4.673 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H]2CCCCO2)no1 ZINC001361082026 1066321152 /nfs/dbraw/zinc/32/11/52/1066321152.db2.gz ZQUZYELUMYAOFM-QFIPXVFZSA-N 0 0 453.587 4.505 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)OC ZINC001545959378 1066321171 /nfs/dbraw/zinc/32/11/71/1066321171.db2.gz VDFVKWNCTHTYDX-QFIPXVFZSA-N 0 0 474.049 4.643 20 0 JJADRN Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(OC(C)C)CC2)no1 ZINC001361083419 1066321477 /nfs/dbraw/zinc/32/14/77/1066321477.db2.gz DBLWDBSZASNMLE-UHFFFAOYSA-N 0 0 480.396 4.902 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC001361082826 1066321583 /nfs/dbraw/zinc/32/15/83/1066321583.db2.gz LJVYCJPQERRTJM-NVXWUHKLSA-N 0 0 454.792 4.881 20 0 JJADRN CC[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001546064579 1066321649 /nfs/dbraw/zinc/32/16/49/1066321649.db2.gz RXBPPPNAYBZXRC-SACAOSOOSA-N 0 0 470.658 4.833 20 0 JJADRN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 ZINC001361082650 1066321788 /nfs/dbraw/zinc/32/17/88/1066321788.db2.gz IFRPAHRJJUECLX-BFUOFWGJSA-N 0 0 455.769 4.835 20 0 JJADRN Cc1ccccc1Nc1nc2sc(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)cc2s1 ZINC001454700569 1066322118 /nfs/dbraw/zinc/32/21/18/1066322118.db2.gz GLKMFCGWDNILIY-CQSZACIVSA-N 0 0 452.487 4.535 20 0 JJADRN COC(=O)[C@@]1(C)CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C[C@@H]1C ZINC001454703093 1066322199 /nfs/dbraw/zinc/32/21/99/1066322199.db2.gz QHIZLCLNSJAQEI-GKVSMKOHSA-N 0 0 451.954 4.523 20 0 JJADRN Cc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cs1 ZINC001361084423 1066322642 /nfs/dbraw/zinc/32/26/42/1066322642.db2.gz QRJNLWYRBIMZLY-FXAWDEMLSA-N 0 0 475.659 4.677 20 0 JJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1nc(C2CCCC2)cs1 ZINC001443526662 1066322651 /nfs/dbraw/zinc/32/26/51/1066322651.db2.gz BVACGESALITHJZ-UHFFFAOYSA-N 0 0 459.612 4.616 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001454706792 1066323083 /nfs/dbraw/zinc/32/30/83/1066323083.db2.gz GIUGOHFTAYKZLG-QXAKKESOSA-N 0 0 450.457 4.758 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC001361084570 1066323145 /nfs/dbraw/zinc/32/31/45/1066323145.db2.gz VMZDFCYXINYZLI-GJJHYRHESA-N 0 0 459.660 4.949 20 0 JJADRN Cc1cc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C)[C@H](C)C2)cs1 ZINC001361084568 1066323259 /nfs/dbraw/zinc/32/32/59/1066323259.db2.gz VMZDFCYXINYZLI-ACZWYYKOSA-N 0 0 459.660 4.949 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 ZINC001361084932 1066323726 /nfs/dbraw/zinc/32/37/26/1066323726.db2.gz BBLDGNPBSIQWHB-UXHICEINSA-N 0 0 458.649 4.504 20 0 JJADRN CO[C@H]1CC[C@@H](C)N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 ZINC001454708499 1066323882 /nfs/dbraw/zinc/32/38/82/1066323882.db2.gz UJGWACMFMUZMDK-WYEJZRMESA-N 0 0 450.579 4.576 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 ZINC001361084926 1066323833 /nfs/dbraw/zinc/32/38/33/1066323833.db2.gz AUUBOTOHMFJBBR-LQOCYXTFSA-N 0 0 450.579 4.564 20 0 JJADRN Cc1nc(Br)sc1C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC001443531306 1066323852 /nfs/dbraw/zinc/32/38/52/1066323852.db2.gz MIHQCQCVSWODHF-QMMMGPOBSA-N 0 0 450.221 4.887 20 0 JJADRN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)c21 ZINC001443531689 1066323890 /nfs/dbraw/zinc/32/38/90/1066323890.db2.gz NILFMZBLYQUPPN-HNNXBMFYSA-N 0 0 454.527 4.688 20 0 JJADRN O=C(CCCNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)N1CCc2ccccc21 ZINC001443532017 1066324307 /nfs/dbraw/zinc/32/43/07/1066324307.db2.gz BDTOJUSYQPSCTI-UHFFFAOYSA-N 0 0 453.464 4.867 20 0 JJADRN C[C@@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)Sc1ccc(Br)cc1 ZINC001443531789 1066324339 /nfs/dbraw/zinc/32/43/39/1066324339.db2.gz PHGSVLXVMUQDJM-OWCLPIDISA-N 0 0 471.461 4.939 20 0 JJADRN C[C@@H](CNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)Sc1ccc(Br)cc1 ZINC001443531721 1066324562 /nfs/dbraw/zinc/32/45/62/1066324562.db2.gz OEVGVQLVLFEGKN-GSHBMFQSSA-N 0 0 456.446 4.800 20 0 JJADRN O=C(Nc1ccc(O)c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1)OCC(F)(F)F ZINC001454713358 1066324860 /nfs/dbraw/zinc/32/48/60/1066324860.db2.gz HLAWBLJSSFBHKE-WBVHZDCISA-N 0 0 476.810 4.556 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Sc1ccc(Br)cc1 ZINC001443532785 1066324761 /nfs/dbraw/zinc/32/47/61/1066324761.db2.gz UIBQPTVTMIVHDT-HNAYVOBHSA-N 0 0 450.398 4.918 20 0 JJADRN C[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)Sc1ccc(Br)cc1 ZINC001443533143 1066324834 /nfs/dbraw/zinc/32/48/34/1066324834.db2.gz WKEOLIDOKQZOQU-SUMWQHHRSA-N 0 0 457.434 4.739 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)cc2)c(C)c1C ZINC001454713396 1066324981 /nfs/dbraw/zinc/32/49/81/1066324981.db2.gz TVAZTGFWFBVBGA-MXBUBSDBSA-N 0 0 458.624 4.571 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001454713338 1066325016 /nfs/dbraw/zinc/32/50/16/1066325016.db2.gz HEJIJIIZSRSQCG-VMRPVKRXSA-N 0 0 454.970 4.853 20 0 JJADRN C[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)Sc1ccc(Br)cc1 ZINC001443533141 1066325066 /nfs/dbraw/zinc/32/50/66/1066325066.db2.gz WKEOLIDOKQZOQU-GUYCJALGSA-N 0 0 457.434 4.739 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c(OC)c(OC)c1 ZINC001361086568 1066325265 /nfs/dbraw/zinc/32/52/65/1066325265.db2.gz XCLVTVJHHHRMKJ-UHFFFAOYSA-N 0 0 455.894 4.975 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001454714946 1066325328 /nfs/dbraw/zinc/32/53/28/1066325328.db2.gz UMDNPODVHLQALT-MJGOQNOKSA-N 0 0 452.910 4.665 20 0 JJADRN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001454714187 1066325349 /nfs/dbraw/zinc/32/53/49/1066325349.db2.gz PJYYUGOHPRDQAG-LJHODMEESA-N 0 0 455.338 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[C@H]1C1CC1 ZINC001454715168 1066325498 /nfs/dbraw/zinc/32/54/98/1066325498.db2.gz WPWJGBNRIQHDJK-WCIQWLHISA-N 0 0 452.954 4.603 20 0 JJADRN COC(=O)Nc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c(C)c1 ZINC001454717287 1066325798 /nfs/dbraw/zinc/32/57/98/1066325798.db2.gz ZWCQSLXCLJOSFH-KRWDZBQOSA-N 0 0 453.539 4.832 20 0 JJADRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 ZINC001545959647 1066326124 /nfs/dbraw/zinc/32/61/24/1066326124.db2.gz ZRXZABSXEBTDMY-GOSISDBHSA-N 0 0 482.430 4.990 20 0 JJADRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)nc2c1 ZINC001443535256 1066326143 /nfs/dbraw/zinc/32/61/43/1066326143.db2.gz WXQMTCNNXDFKQH-KSSFIOAISA-N 0 0 455.584 4.891 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)o1 ZINC001443534547 1066326200 /nfs/dbraw/zinc/32/62/00/1066326200.db2.gz CHYSXSCWMWPHHM-SJLPKXTDSA-N 0 0 458.559 4.569 20 0 JJADRN Cc1nnc(COc2ccc(NC(=O)C[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)o1 ZINC001443534544 1066326217 /nfs/dbraw/zinc/32/62/17/1066326217.db2.gz CHYSXSCWMWPHHM-FUHWJXTLSA-N 0 0 458.559 4.569 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(OC)cc2OC)C1 ZINC001546064800 1066326345 /nfs/dbraw/zinc/32/63/45/1066326345.db2.gz WNQZFCDFRZDIKD-QHCPKHFHSA-N 0 0 488.430 4.922 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)[C@@H]2CCSC2)n1C[C@H]1OCC[C@H]1C ZINC001361087480 1066326743 /nfs/dbraw/zinc/32/67/43/1066326743.db2.gz MAHWJLGDNYHXBF-OZOXKJRCSA-N 0 0 465.063 4.618 20 0 JJADRN O=C(N[C@@H](C(=O)NCc1cc(F)c(Br)cc1F)c1ccccc1)c1ccccc1 ZINC001454731273 1066328001 /nfs/dbraw/zinc/32/80/01/1066328001.db2.gz BNEZRTMADVKBKZ-HXUWFJFHSA-N 0 0 459.290 4.515 20 0 JJADRN Cc1nc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N(C)[C@H]2CCOC2)sc1C ZINC001361087714 1066327735 /nfs/dbraw/zinc/32/77/35/1066327735.db2.gz OLBOFRYNIARGHJ-IBGZPJMESA-N 0 0 476.046 4.598 20 0 JJADRN CCOc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1OCC ZINC001443546335 1066327997 /nfs/dbraw/zinc/32/79/97/1066327997.db2.gz YZXBPQCLKGXHMC-UHFFFAOYSA-N 0 0 452.595 4.570 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001454733191 1066328412 /nfs/dbraw/zinc/32/84/12/1066328412.db2.gz OLHZLOKLGDGZFS-VQIMIIECSA-N 0 0 450.526 4.638 20 0 JJADRN Cc1cc(OC(F)F)c(C(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1 ZINC001454740444 1066329268 /nfs/dbraw/zinc/32/92/68/1066329268.db2.gz ONWQHLMRQFBGQX-MRXNPFEDSA-N 0 0 454.539 4.914 20 0 JJADRN Nc1cc(I)ccc1C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC001443569417 1066329307 /nfs/dbraw/zinc/32/93/07/1066329307.db2.gz QIXJEUHWPCYBOQ-UHFFFAOYSA-N 0 0 452.311 4.988 20 0 JJADRN COc1cccc(CC2CCN(C(=O)c3scc(C)c3I)CC2)c1 ZINC001454737600 1066329496 /nfs/dbraw/zinc/32/94/96/1066329496.db2.gz YJTUOQHXAMTCIL-UHFFFAOYSA-N 0 0 455.361 4.765 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C ZINC001454739550 1066329611 /nfs/dbraw/zinc/32/96/11/1066329611.db2.gz ZOKILEKJMVWOPF-GBESFXJTSA-N 0 0 467.651 4.612 20 0 JJADRN Cc1c(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)nnn1-c1ccc(F)c(Cl)c1 ZINC001443566882 1066329638 /nfs/dbraw/zinc/32/96/38/1066329638.db2.gz MPJBGVPIBAGAFF-UHFFFAOYSA-N 0 0 456.886 4.901 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H]1CCSC1 ZINC001361088196 1066329538 /nfs/dbraw/zinc/32/95/38/1066329538.db2.gz SYQXZSLQMRVDBW-VQTJNVASSA-N 0 0 479.090 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC001443575253 1066329906 /nfs/dbraw/zinc/32/99/06/1066329906.db2.gz PYYMDHBUPOSHRN-SJLPKXTDSA-N 0 0 457.521 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC001443575243 1066330064 /nfs/dbraw/zinc/33/00/64/1066330064.db2.gz PYYMDHBUPOSHRN-AEFFLSMTSA-N 0 0 457.521 4.589 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c2ccccc21 ZINC001443575246 1066330202 /nfs/dbraw/zinc/33/02/02/1066330202.db2.gz PYYMDHBUPOSHRN-FUHWJXTLSA-N 0 0 457.521 4.589 20 0 JJADRN COc1ccc2oc([C@@H](C)NC(=O)CSc3nncn3-c3ccc(C)c(C)c3)c(C)c2c1 ZINC001443577196 1066330595 /nfs/dbraw/zinc/33/05/95/1066330595.db2.gz GFIXYPYAQHLQDV-QGZVFWFLSA-N 0 0 450.564 4.917 20 0 JJADRN CCc1noc2ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccc(C(C)C)cc3)cc12 ZINC001443577320 1066330656 /nfs/dbraw/zinc/33/06/56/1066330656.db2.gz GRJMLWMZNDCCEV-NRFANRHFSA-N 0 0 452.555 4.904 20 0 JJADRN Cc1c(I)cc(Br)cc1C(=O)N1CC[C@@H](CC(C)C)C1 ZINC001361104433 1066353757 /nfs/dbraw/zinc/35/37/57/1066353757.db2.gz OEXCYPOOFDPWMP-LBPRGKRZSA-N 0 0 450.158 4.870 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)C2)n1C[C@H]1CCC[C@H](O)C1 ZINC001361088337 1066330634 /nfs/dbraw/zinc/33/06/34/1066330634.db2.gz INHXQCYCNYSLEO-HKUYNNGSSA-N 0 0 468.976 4.648 20 0 JJADRN COc1cccc(CC2CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC001454745038 1066330619 /nfs/dbraw/zinc/33/06/19/1066330619.db2.gz VVLMQUKDRKPCDX-UHFFFAOYSA-N 0 0 450.645 4.514 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCC(C)(F)F ZINC001361088341 1066330705 /nfs/dbraw/zinc/33/07/05/1066330705.db2.gz INZDQUWVSMYYJX-UHFFFAOYSA-N 0 0 491.970 4.960 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)C2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001361088338 1066330763 /nfs/dbraw/zinc/33/07/63/1066330763.db2.gz INHXQCYCNYSLEO-IEBWSBKVSA-N 0 0 468.976 4.648 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001454761562 1066330942 /nfs/dbraw/zinc/33/09/42/1066330942.db2.gz OOLVNYUVUHWECZ-GIVPXCGWSA-N 0 0 460.958 4.561 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCOC2)n1C[C@H]1OCCC1(C)C ZINC001361088364 1066331040 /nfs/dbraw/zinc/33/10/40/1066331040.db2.gz UGQIEZGUCXYSJN-DENIHFKCSA-N 0 0 477.049 4.539 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC2CC(F)C2)n1C[C@@]1(O)CCC[C@H]1C ZINC001361088584 1066332021 /nfs/dbraw/zinc/33/20/21/1066332021.db2.gz XHVAAXPQHDTOBA-WAYLFPLJSA-N 0 0 479.040 4.987 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1CCN1CCOCC1(C)C ZINC001361088634 1066332083 /nfs/dbraw/zinc/33/20/83/1066332083.db2.gz KMUVYIHIOBTSLV-CTNGQTDRSA-N 0 0 490.092 4.597 20 0 JJADRN CCOC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)cc1 ZINC001443581429 1066332046 /nfs/dbraw/zinc/33/20/46/1066332046.db2.gz QLDPOXAJEROYTB-GOSISDBHSA-N 0 0 450.438 4.705 20 0 JJADRN C[C@@H]1c2ccc(C(=O)Nc3ccc([C@@H](O)C(F)(F)F)cc3)n2CCN1C(=O)OC(C)(C)C ZINC001454767372 1066332203 /nfs/dbraw/zinc/33/22/03/1066332203.db2.gz HKXBOSADNKVDTM-FZKQIMNGSA-N 0 0 453.461 4.648 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)c(C)c2c1 ZINC001443583420 1066332194 /nfs/dbraw/zinc/33/21/94/1066332194.db2.gz WIUQQRYAUKOSHC-LBPRGKRZSA-N 0 0 455.308 4.845 20 0 JJADRN CCOC(=O)Nc1ccc(OC(=O)c2cc(Br)cc(Br)c2O)cc1 ZINC001443582978 1066332381 /nfs/dbraw/zinc/33/23/81/1066332381.db2.gz WHQKGLYVYFGMFP-UHFFFAOYSA-N 0 0 459.090 4.705 20 0 JJADRN CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H]1CCSC1 ZINC001454769721 1066332432 /nfs/dbraw/zinc/33/24/32/1066332432.db2.gz CBAKPXCBAXKNQH-DWXRJYCRSA-N 0 0 452.620 4.953 20 0 JJADRN COC(=O)c1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c(F)c1 ZINC001443582067 1066332632 /nfs/dbraw/zinc/33/26/32/1066332632.db2.gz GLVAISAVLKURLZ-NRFANRHFSA-N 0 0 458.530 4.732 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)CC2)n1C[C@](C)(O)c1ccco1 ZINC001361088790 1066332661 /nfs/dbraw/zinc/33/26/61/1066332661.db2.gz LNRABZBEDIMROE-QHCPKHFHSA-N 0 0 494.970 4.988 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccn(C)n1 ZINC001361088955 1066333161 /nfs/dbraw/zinc/33/31/61/1066333161.db2.gz NSLWJGLWKUJWOC-OAQYLSRUSA-N 0 0 457.022 4.658 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(c3ccnn3C)CC2)n1CC(F)(F)F ZINC001361088873 1066333373 /nfs/dbraw/zinc/33/33/73/1066333373.db2.gz MQLVVWNKVDHTCC-UHFFFAOYSA-N 0 0 496.965 4.931 20 0 JJADRN COc1ccc2oc([C@H](C)NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c(C)c2c1 ZINC001443585424 1066333180 /nfs/dbraw/zinc/33/31/80/1066333180.db2.gz ZWQIEUJLWVNLFQ-HOTGVXAUSA-N 0 0 450.601 4.964 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3F)nc2C1 ZINC001454781876 1066333299 /nfs/dbraw/zinc/33/32/99/1066333299.db2.gz CUCGMADJHFFXGO-UHFFFAOYSA-N 0 0 454.329 4.751 20 0 JJADRN COC(=O)c1cc(C)cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c1 ZINC001443589573 1066333411 /nfs/dbraw/zinc/33/34/11/1066333411.db2.gz XYXIGTGZQLWYBX-JOCHJYFZSA-N 0 0 454.567 4.901 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(OC(F)F)cc1F)Cc1ccccc1 ZINC001454778835 1066333527 /nfs/dbraw/zinc/33/35/27/1066333527.db2.gz ZXPXKLCTUNCSDZ-QGZVFWFLSA-N 0 0 452.473 4.569 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)NC(=O)OC(C)(C)C)cc1 ZINC001443589406 1066333538 /nfs/dbraw/zinc/33/35/38/1066333538.db2.gz WNKZLSUANFXMKB-NRFANRHFSA-N 0 0 453.583 4.634 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCc1nccs1)OC ZINC001545960351 1066333577 /nfs/dbraw/zinc/33/35/77/1066333577.db2.gz BJLZIHDKVNBMKJ-AWEZNQCLSA-N 0 0 484.851 4.921 20 0 JJADRN COc1ccc(OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1C ZINC001443587673 1066333649 /nfs/dbraw/zinc/33/36/49/1066333649.db2.gz SEUIYKYPQXBLKJ-JOCHJYFZSA-N 0 0 456.583 4.888 20 0 JJADRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001443590856 1066333940 /nfs/dbraw/zinc/33/39/40/1066333940.db2.gz ZAWLQESXGDMHIS-UHFFFAOYSA-N 0 0 459.509 4.526 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(F)(F)C2)n1C[C@@H]1CSCCS1 ZINC001361089087 1066334345 /nfs/dbraw/zinc/33/43/45/1066334345.db2.gz PNZOLPQUMYAKLC-QGZVFWFLSA-N 0 0 489.057 4.946 20 0 JJADRN CN(CCc1ccc(Br)cc1)C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443593766 1066334590 /nfs/dbraw/zinc/33/45/90/1066334590.db2.gz WVMDYIDUAIEHEL-PEKVBPLLSA-N 0 0 451.405 4.653 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545960428 1066334627 /nfs/dbraw/zinc/33/46/27/1066334627.db2.gz CQVXUEKXOOMXCX-FPOVZHCZSA-N 0 0 487.645 4.510 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1csc(Cc3ccc(F)cc3)n1)C2 ZINC001454813213 1066334633 /nfs/dbraw/zinc/33/46/33/1066334633.db2.gz BFCKILVYCVEBMF-GGPHIMKMSA-N 0 0 459.587 4.781 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1[C@@H]1C[C@H]1C(C)C ZINC001361089076 1066334495 /nfs/dbraw/zinc/33/44/95/1066334495.db2.gz PKBUINMFZLHMON-HLAWJBBLSA-N 0 0 474.049 4.560 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1C[C@@](C)(O)c1cccs1 ZINC001361089449 1066335902 /nfs/dbraw/zinc/33/59/02/1066335902.db2.gz USOMJMFHCFNBBU-HSZRJFAPSA-N 0 0 461.031 4.821 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)C1 ZINC001454835133 1066336005 /nfs/dbraw/zinc/33/60/05/1066336005.db2.gz MDOMPYWMPLUMSH-GBXCKJPGSA-N 0 0 451.007 4.536 20 0 JJADRN CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001443604365 1066336103 /nfs/dbraw/zinc/33/61/03/1066336103.db2.gz MSNANZADBYGARE-ISKFKSNPSA-N 0 0 450.970 4.781 20 0 JJADRN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)C1 ZINC001454835147 1066336435 /nfs/dbraw/zinc/33/64/35/1066336435.db2.gz MDOMPYWMPLUMSH-RDPSFJRHSA-N 0 0 451.007 4.536 20 0 JJADRN CCN(C(=O)CCn1sc2ccccc2c1=O)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC001443603529 1066336417 /nfs/dbraw/zinc/33/64/17/1066336417.db2.gz KGDDVPQGBJMNTD-HSZRJFAPSA-N 0 0 453.514 4.764 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001361089580 1066336671 /nfs/dbraw/zinc/33/66/71/1066336671.db2.gz XXAPBMMOZHAVOQ-NIYFSFCBSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1CC(=O)NC(C)C ZINC001361089599 1066336686 /nfs/dbraw/zinc/33/66/86/1066336686.db2.gz YGAIVGUTAIUBAM-NHCUHLMSSA-N 0 0 488.076 4.793 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(NC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001443613805 1066337219 /nfs/dbraw/zinc/33/72/19/1066337219.db2.gz DWRAQOCUAHOBEM-MENFKHAKSA-N 0 0 459.587 4.853 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)Nc3cccc(CNC(=O)OC(C)(C)C)c3)n2)c1 ZINC001443611605 1066337239 /nfs/dbraw/zinc/33/72/39/1066337239.db2.gz DBEXEYVMCYEBQK-UHFFFAOYSA-N 0 0 454.552 4.801 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)CC2)n1C[C@@]1(C)COCCO1 ZINC001361089678 1066337279 /nfs/dbraw/zinc/33/72/79/1066337279.db2.gz ZRCUJBLVINAOOQ-CLOONOSVSA-N 0 0 477.049 4.683 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)CC2)n1C[C@@]1(C)COCCO1 ZINC001361089679 1066337338 /nfs/dbraw/zinc/33/73/38/1066337338.db2.gz ZRCUJBLVINAOOQ-DFBJGRDBSA-N 0 0 477.049 4.683 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H]1CCOC1 ZINC001361089696 1066337357 /nfs/dbraw/zinc/33/73/57/1066337357.db2.gz ZXYFTQWRXOTCLA-ZWKOTPCHSA-N 0 0 468.976 4.770 20 0 JJADRN Cc1cnn(-c2cc(C(=O)N[C@H](C)c3sc(-c4ccc(F)cc4)nc3C)c(N)cc2F)c1 ZINC001443608436 1066337469 /nfs/dbraw/zinc/33/74/69/1066337469.db2.gz ZFHFLOMFJBGZFB-CYBMUJFWSA-N 0 0 453.518 4.964 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1NS(C)(=O)=O ZINC001454880486 1066337525 /nfs/dbraw/zinc/33/75/25/1066337525.db2.gz QZINVEURMSWTGB-GOSISDBHSA-N 0 0 454.514 4.794 20 0 JJADRN O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC001443614668 1066337775 /nfs/dbraw/zinc/33/77/75/1066337775.db2.gz DIPHXJIBXBKFSU-CTNGQTDRSA-N 0 0 459.359 4.565 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C2CCC2)C1 ZINC001546066000 1066338051 /nfs/dbraw/zinc/33/80/51/1066338051.db2.gz FALGEZWSMMMYNP-DEOSSOPVSA-N 0 0 460.022 4.540 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCS[C@H](C)C2)n1CC[S@](=O)C(C)(C)C ZINC001361090150 1066338290 /nfs/dbraw/zinc/33/82/90/1066338290.db2.gz BKHAXYIZKPPYMR-CVCYQNGTSA-N 0 0 499.146 4.740 20 0 JJADRN Cc1nccn1CCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)C1 ZINC001361090189 1066338310 /nfs/dbraw/zinc/33/83/10/1066338310.db2.gz CEOUSMDTNJVJRV-LJQANCHMSA-N 0 0 489.089 4.788 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)c2)n1 ZINC001454885588 1066338623 /nfs/dbraw/zinc/33/86/23/1066338623.db2.gz XFHCATJEOKBIQK-KRWDZBQOSA-N 0 0 458.628 4.829 20 0 JJADRN CCOc1ccc(Br)cc1CN(C(=O)[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC001443623605 1066338817 /nfs/dbraw/zinc/33/88/17/1066338817.db2.gz ZYQJFUGCEKGGRP-KRWDZBQOSA-N 0 0 457.412 4.786 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@]1(O)CCCC1(C)C ZINC001361090468 1066338805 /nfs/dbraw/zinc/33/88/05/1066338805.db2.gz FOXDFYVTQXRXGX-KNOQFWTLSA-N 0 0 479.040 4.987 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccn(C)n1 ZINC001361090428 1066338900 /nfs/dbraw/zinc/33/89/00/1066338900.db2.gz DHBJDGWLJLMWGY-HDICACEKSA-N 0 0 493.002 4.761 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSCC2)n1C[C@@H]1OCCC1(C)C ZINC001361090438 1066338971 /nfs/dbraw/zinc/33/89/71/1066338971.db2.gz DLHCKPWLOMKJGH-FQEVSTJZSA-N 0 0 465.063 4.620 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnn(CCOC)c2)C1 ZINC001546066090 1066339231 /nfs/dbraw/zinc/33/92/31/1066339231.db2.gz GTGWWEHXANXMQP-AREMUKBSSA-N 0 0 450.631 4.760 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001546066198 1066339876 /nfs/dbraw/zinc/33/98/76/1066339876.db2.gz IOUNSWXUKSPUHH-CPJLOUKISA-N 0 0 453.587 4.997 20 0 JJADRN O=C(NCc1ccc(Br)cn1)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001454893708 1066339971 /nfs/dbraw/zinc/33/99/71/1066339971.db2.gz NPWFKRSNOUKECM-QFIPXVFZSA-N 0 0 456.359 4.501 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@](C)(O)C(C)C ZINC001361090990 1066340063 /nfs/dbraw/zinc/34/00/63/1066340063.db2.gz LLGYNQDIVRDEPS-ATIYNZHBSA-N 0 0 493.092 4.910 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cccnc2OC)C1 ZINC001546066320 1066340269 /nfs/dbraw/zinc/34/02/69/1066340269.db2.gz KXFVZRZUYOYMBC-AREMUKBSSA-N 0 0 465.598 4.819 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@@H]1CCCS1 ZINC001361091171 1066340379 /nfs/dbraw/zinc/34/03/79/1066340379.db2.gz NPBUDOGBSOZTGA-NEWSRXKRSA-N 0 0 453.027 4.941 20 0 JJADRN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443630128 1066340463 /nfs/dbraw/zinc/34/04/63/1066340463.db2.gz FWWPFSLUXPVAMD-UHFFFAOYSA-N 0 0 456.880 4.801 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOC[C@H]2C)n1CCCc1nccs1 ZINC001361091068 1066340598 /nfs/dbraw/zinc/34/05/98/1066340598.db2.gz MFVMTOIGGZOYEM-GOSISDBHSA-N 0 0 476.046 4.566 20 0 JJADRN Cc1c(C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)OC(C)(C)C)C2)sc2cccc(F)c12 ZINC001454902455 1066340771 /nfs/dbraw/zinc/34/07/71/1066340771.db2.gz BCQLXBKOIQCAAU-HOTGVXAUSA-N 0 0 457.571 4.670 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCOCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001361091181 1066340948 /nfs/dbraw/zinc/34/09/48/1066340948.db2.gz NSAIFENWEZSTQX-RDPSFJRHSA-N 0 0 491.076 4.929 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCSC(C)(C)C2)n1C[C@H]1CCOC1 ZINC001361091550 1066341147 /nfs/dbraw/zinc/34/11/47/1066341147.db2.gz QOXYPJQXOBNLOS-GOSISDBHSA-N 0 0 465.063 4.620 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C)C2)n1CCCc1nccs1 ZINC001361091767 1066341540 /nfs/dbraw/zinc/34/15/40/1066341540.db2.gz TYYQKGLPSOZMCK-GOSISDBHSA-N 0 0 476.046 4.566 20 0 JJADRN Cc1ccsc1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 ZINC001361091653 1066341631 /nfs/dbraw/zinc/34/16/31/1066341631.db2.gz SBFIQHZYZNEMJU-GOSISDBHSA-N 0 0 461.031 4.895 20 0 JJADRN COc1ccccc1/C=C(/C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1)c1ccccc1 ZINC001454918674 1066341773 /nfs/dbraw/zinc/34/17/73/1066341773.db2.gz IOOKHTICOHRWSO-HNXXGLCESA-N 0 0 456.586 4.561 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)s1 ZINC001454919275 1066341918 /nfs/dbraw/zinc/34/19/18/1066341918.db2.gz JPTCGVHWCGIFSJ-MRXNPFEDSA-N 0 0 459.493 4.931 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@H]1OCCC1(C)C ZINC001361091852 1066341964 /nfs/dbraw/zinc/34/19/64/1066341964.db2.gz VWZQNQUQWPZYTF-DHIUTWEWSA-N 0 0 491.076 4.928 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H]1OCCC1(C)C ZINC001361091855 1066342118 /nfs/dbraw/zinc/34/21/18/1066342118.db2.gz VWZQNQUQWPZYTF-XZOQPEGZSA-N 0 0 491.076 4.928 20 0 JJADRN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC(F)(F)F ZINC001361091996 1066342586 /nfs/dbraw/zinc/34/25/86/1066342586.db2.gz XKHUUYSMIHNUCX-OAHLLOKOSA-N 0 0 486.844 4.581 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC001454921155 1066342701 /nfs/dbraw/zinc/34/27/01/1066342701.db2.gz SATDJLYQBIFBDD-CYBMUJFWSA-N 0 0 455.338 4.754 20 0 JJADRN Cc1cc(F)ccc1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361092195 1066342937 /nfs/dbraw/zinc/34/29/37/1066342937.db2.gz AZNHQQAINLXYKJ-INIZCTEOSA-N 0 0 490.421 4.740 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC(F)(F)C1)CC2 ZINC001361092138 1066343012 /nfs/dbraw/zinc/34/30/12/1066343012.db2.gz ZSJWLYKQAAXPDT-KRWDZBQOSA-N 0 0 463.548 4.642 20 0 JJADRN Cc1cc(C(=O)CCC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C)s1 ZINC001454929229 1066343260 /nfs/dbraw/zinc/34/32/60/1066343260.db2.gz ZOUQTJWBBBQMOR-OAHLLOKOSA-N 0 0 452.498 4.527 20 0 JJADRN CCCCN(C)c1ccc(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)cc1 ZINC001443639264 1066343264 /nfs/dbraw/zinc/34/32/64/1066343264.db2.gz FEUJVAUNJOKLQL-UHFFFAOYSA-N 0 0 451.571 4.519 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454935010 1066343944 /nfs/dbraw/zinc/34/39/44/1066343944.db2.gz SNDPSLNBESCCRW-GFCCVEGCSA-N 0 0 459.390 4.560 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cnccn2)n1CCc1csc(C(C)(C)C)n1 ZINC001492598039 1066343796 /nfs/dbraw/zinc/34/37/96/1066343796.db2.gz GKADTVOUDNLVNQ-UHFFFAOYSA-N 0 0 491.665 4.946 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC001443646320 1066344101 /nfs/dbraw/zinc/34/41/01/1066344101.db2.gz KLDVTJJGIDGLDF-UHFFFAOYSA-N 0 0 455.605 4.964 20 0 JJADRN CN(CCN(C)c1ccccc1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001443642453 1066344120 /nfs/dbraw/zinc/34/41/20/1066344120.db2.gz RMHJXQKBRPXGEO-XCZPVHLTSA-N 0 0 455.602 4.761 20 0 JJADRN Cc1cc(F)cc2c1CN(c1nnc([C@@H]3CCCCO3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2 ZINC001361093382 1066344094 /nfs/dbraw/zinc/34/40/94/1066344094.db2.gz YTJZWNTYDWJHOR-GCJKJVERSA-N 0 0 487.620 4.785 20 0 JJADRN CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC001361093939 1066344341 /nfs/dbraw/zinc/34/43/41/1066344341.db2.gz QVWJOEOQWCCBPS-UHFFFAOYSA-N 0 0 451.792 4.608 20 0 JJADRN Cc1cc(F)ccc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001361094933 1066345559 /nfs/dbraw/zinc/34/55/59/1066345559.db2.gz AYSASUGPYZWUBH-NRFANRHFSA-N 0 0 487.670 4.538 20 0 JJADRN COCCN(Cc1ccc(F)cc1Cl)C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001443659072 1066345662 /nfs/dbraw/zinc/34/56/62/1066345662.db2.gz ZLNXEWSHVQNXSE-JEZWAEDTSA-N 0 0 454.970 4.657 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)Cc1cccc(C)c1 ZINC001443662556 1066345884 /nfs/dbraw/zinc/34/58/84/1066345884.db2.gz BFRCNTWASVCRBU-DOEKTCAHSA-N 0 0 457.570 4.826 20 0 JJADRN Cc1cc(F)ccc1CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C ZINC001361095689 1066345962 /nfs/dbraw/zinc/34/59/62/1066345962.db2.gz NMZMYLDEZZWOPV-UHFFFAOYSA-N 0 0 462.495 4.637 20 0 JJADRN Cc1cc(F)ccc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 ZINC001361095721 1066346066 /nfs/dbraw/zinc/34/60/66/1066346066.db2.gz OFJTXVBIGDSWIN-DHIUTWEWSA-N 0 0 488.648 4.722 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)Cc1cccc(C)c1 ZINC001443662568 1066346046 /nfs/dbraw/zinc/34/60/46/1066346046.db2.gz BFRCNTWASVCRBU-URORMMCBSA-N 0 0 457.570 4.826 20 0 JJADRN Cc1cccc(Oc2ccccc2CNC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC001443666108 1066346305 /nfs/dbraw/zinc/34/63/05/1066346305.db2.gz PGXOLTIDWLJQIL-UHFFFAOYSA-N 0 0 453.336 4.596 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)Cc1cccc(C)c1 ZINC001443662574 1066346365 /nfs/dbraw/zinc/34/63/65/1066346365.db2.gz BFRCNTWASVCRBU-WYMJOSIYSA-N 0 0 457.570 4.826 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)[C@@H](SC)c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964245 1066346123 /nfs/dbraw/zinc/34/61/23/1066346123.db2.gz NNVIOYPFYIAMRC-BDTNDASRSA-N 0 0 456.608 4.619 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C/c3ccnc4ccccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454963790 1066346203 /nfs/dbraw/zinc/34/62/03/1066346203.db2.gz LMZGPNAFTHVVQK-JSHRXXPOSA-N 0 0 473.573 4.776 20 0 JJADRN CCN(C(=O)[C@H](O)c1cccc(Br)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001443669003 1066346811 /nfs/dbraw/zinc/34/68/11/1066346811.db2.gz CAEBCSYQZKDEAA-FCHUYYIVSA-N 0 0 457.343 4.963 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)c3cc(F)cc4ccncc43)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454964477 1066346557 /nfs/dbraw/zinc/34/65/57/1066346557.db2.gz PHFYKLRMMZTEOZ-XZOQPEGZSA-N 0 0 465.525 4.515 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c2c1CCC2 ZINC001361096363 1066346781 /nfs/dbraw/zinc/34/67/81/1066346781.db2.gz GTYWLEIVZFEVBG-XMMPIXPASA-N 0 0 455.526 4.685 20 0 JJADRN C[C@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)Oc1cccc(Br)c1 ZINC001361096390 1066346817 /nfs/dbraw/zinc/34/68/17/1066346817.db2.gz HLIDZCALLGBMSV-CYBMUJFWSA-N 0 0 456.789 4.602 20 0 JJADRN Cc1c2ccccc2oc1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC001361096346 1066346945 /nfs/dbraw/zinc/34/69/45/1066346945.db2.gz GQTMBTRJPSORQT-JOCHJYFZSA-N 0 0 455.482 4.942 20 0 JJADRN Cc1ccc(/C=C/CC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cc1 ZINC001361097237 1066347581 /nfs/dbraw/zinc/34/75/81/1066347581.db2.gz ZURPKMMLFUCKNG-CMEKQAILSA-N 0 0 455.526 4.986 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c2ccc(F)c(F)c2)c1 ZINC001361096837 1066347867 /nfs/dbraw/zinc/34/78/67/1066347867.db2.gz QNUOHWYMOMETPI-MZKRTTBSSA-N 0 0 459.489 4.517 20 0 JJADRN CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1)OC ZINC001545960943 1066347895 /nfs/dbraw/zinc/34/78/95/1066347895.db2.gz MCRZEXUVUCOQQN-UONOGXRCSA-N 0 0 473.362 4.623 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001454974250 1066348216 /nfs/dbraw/zinc/34/82/16/1066348216.db2.gz XBPXVGQZQFCSFQ-HSZRJFAPSA-N 0 0 458.558 4.841 20 0 JJADRN C[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)[C@@H](C)N1CCOCC1 ZINC001443679682 1066348249 /nfs/dbraw/zinc/34/82/49/1066348249.db2.gz MJCIIKFFIVWIAX-WOJBJXKFSA-N 0 0 450.604 4.833 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC001546067071 1066348759 /nfs/dbraw/zinc/34/87/59/1066348759.db2.gz AOEBJQPKJVOFSO-MSOLQXFVSA-N 0 0 456.411 4.732 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 ZINC001454977461 1066348923 /nfs/dbraw/zinc/34/89/23/1066348923.db2.gz CLHJOSKSZJYPQX-UHFFFAOYSA-N 0 0 457.504 4.820 20 0 JJADRN Cc1cccc(N(C)c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)c1 ZINC001361099380 1066349244 /nfs/dbraw/zinc/34/92/44/1066349244.db2.gz FQPDKFFSYQDXFT-UHFFFAOYSA-N 0 0 451.372 4.874 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1 ZINC001454981661 1066349348 /nfs/dbraw/zinc/34/93/48/1066349348.db2.gz MUBGNTKFFUFRRR-UHFFFAOYSA-N 0 0 455.438 4.924 20 0 JJADRN COc1cccc(OC(F)(F)F)c1NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001454980174 1066349381 /nfs/dbraw/zinc/34/93/81/1066349381.db2.gz VOMDCVWRHLXGEM-SFHVURJKSA-N 0 0 452.429 4.580 20 0 JJADRN CC(C)c1c(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cnn1-c1ccccc1 ZINC001443681731 1066349514 /nfs/dbraw/zinc/34/95/14/1066349514.db2.gz TWKXELDRNNNMDR-UHFFFAOYSA-N 0 0 451.958 4.639 20 0 JJADRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001443684378 1066349536 /nfs/dbraw/zinc/34/95/36/1066349536.db2.gz BTCXOXZNMRQKNU-MRXNPFEDSA-N 0 0 455.653 4.697 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492598105 1066350446 /nfs/dbraw/zinc/35/04/46/1066350446.db2.gz JJWQZDKGLJNMCM-SFTDATJTSA-N 0 0 471.646 4.746 20 0 JJADRN Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)c2cccc(C)c2)on1 ZINC001361101065 1066350462 /nfs/dbraw/zinc/35/04/62/1066350462.db2.gz ALDQFPWGXCYUAD-LJQANCHMSA-N 0 0 466.586 4.814 20 0 JJADRN COc1ccc(-c2nnc(CNC(=O)c3oc4c(cc(Br)cc4C)c3C)[nH]2)cc1 ZINC001443686567 1066350620 /nfs/dbraw/zinc/35/06/20/1066350620.db2.gz LCLXHUKEIRGKMA-UHFFFAOYSA-N 0 0 455.312 4.536 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC(C)(C)C1)OC ZINC001545961135 1066350957 /nfs/dbraw/zinc/35/09/57/1066350957.db2.gz PECSJTLZZYXOBP-CYBMUJFWSA-N 0 0 457.438 4.588 20 0 JJADRN COC[C@H](NC(=O)c1cccnc1Nc1ccccc1OC)c1cccc(Br)c1 ZINC001455004026 1066351103 /nfs/dbraw/zinc/35/11/03/1066351103.db2.gz HSALRWLYGOXXKT-IBGZPJMESA-N 0 0 456.340 4.714 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(C)cc1 ZINC001443692859 1066351228 /nfs/dbraw/zinc/35/12/28/1066351228.db2.gz UEFZXWBSLHFPLI-NRFANRHFSA-N 0 0 459.571 4.850 20 0 JJADRN Cc1cccc(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccco2)c1 ZINC001361102035 1066351556 /nfs/dbraw/zinc/35/15/56/1066351556.db2.gz WHTURHKZNSDYDA-CCLHPLFOSA-N 0 0 495.624 4.970 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)(C)CO4)c2C1 ZINC001455005380 1066351965 /nfs/dbraw/zinc/35/19/65/1066351965.db2.gz KVJAXJVEZQZCDT-UHFFFAOYSA-N 0 0 451.523 4.547 20 0 JJADRN O=C(Nc1cncc(C(F)F)c1)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001455005044 1066352088 /nfs/dbraw/zinc/35/20/88/1066352088.db2.gz DWMTWOWLPDUORT-INIZCTEOSA-N 0 0 456.262 4.554 20 0 JJADRN Cc1noc(C)c1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)c1cccc(C)c1 ZINC001361102711 1066352121 /nfs/dbraw/zinc/35/21/21/1066352121.db2.gz CKOWIWWEURAURO-KDURUIRLSA-N 0 0 466.586 4.778 20 0 JJADRN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC001443697390 1066352143 /nfs/dbraw/zinc/35/21/43/1066352143.db2.gz FZYUTYICSIBIRH-SNVBAGLBSA-N 0 0 454.408 4.554 20 0 JJADRN CC(C)N(CCCNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)C(=O)OC(C)(C)C ZINC001443698290 1066352265 /nfs/dbraw/zinc/35/22/65/1066352265.db2.gz STEOSPFEVJDBSQ-UHFFFAOYSA-N 0 0 458.578 4.656 20 0 JJADRN O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC001455007670 1066352300 /nfs/dbraw/zinc/35/23/00/1066352300.db2.gz HLPQOKYGUONSRR-CZIWCDLHSA-N 0 0 456.258 4.720 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C ZINC001455007082 1066352340 /nfs/dbraw/zinc/35/23/40/1066352340.db2.gz PRLFPHYMANVSKM-WOJBJXKFSA-N 0 0 459.587 4.956 20 0 JJADRN Cc1n[nH]cc1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)c1cccc(C)c1 ZINC001361103059 1066352621 /nfs/dbraw/zinc/35/26/21/1066352621.db2.gz PMLMEPQWUUNREF-OYRHEFFESA-N 0 0 479.629 4.789 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001361102881 1066352912 /nfs/dbraw/zinc/35/29/12/1066352912.db2.gz JANBMEHNBAVOSW-UHFFFAOYSA-N 0 0 462.598 4.740 20 0 JJADRN COC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1cccc(Br)c1 ZINC001455008820 1066352915 /nfs/dbraw/zinc/35/29/15/1066352915.db2.gz VNOZIRIWVNGDEX-IRXDYDNUSA-N 0 0 457.409 4.582 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC001443702204 1066353151 /nfs/dbraw/zinc/35/31/51/1066353151.db2.gz AJWJDHRAICUGDS-MRXNPFEDSA-N 0 0 451.405 4.634 20 0 JJADRN Cc1cccc(N(C)c2nnc(Cc3ccncc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001361103137 1066353434 /nfs/dbraw/zinc/35/34/34/1066353434.db2.gz SXJROPGIMFQVPJ-QFIPXVFZSA-N 0 0 476.625 4.987 20 0 JJADRN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CC1 ZINC001443703231 1066353721 /nfs/dbraw/zinc/35/37/21/1066353721.db2.gz UCHLKVRYHRAERB-SMIHKQSGSA-N 0 0 471.439 4.865 20 0 JJADRN Cc1cc(N2CCN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)CC2)nc(C(C)C)n1 ZINC001361105456 1066354091 /nfs/dbraw/zinc/35/40/91/1066354091.db2.gz KRRKAMFJDUUUAV-UHFFFAOYSA-N 0 0 473.547 4.678 20 0 JJADRN Cc1cc(N2CCN(c3nnc(CC(C)C)n3CCc3cc(F)cc(F)c3)CC2)nc(C(C)C)n1 ZINC001361105536 1066354258 /nfs/dbraw/zinc/35/42/58/1066354258.db2.gz NQEJHIFHHKDRCA-UHFFFAOYSA-N 0 0 483.611 4.546 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C12CCCC2 ZINC001361104833 1066354352 /nfs/dbraw/zinc/35/43/52/1066354352.db2.gz TYEQHQYPPSTTJH-LSDHHAIUSA-N 0 0 459.324 4.676 20 0 JJADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCc3ccc(Cl)c(C)c3C2)cc1 ZINC001455032422 1066354651 /nfs/dbraw/zinc/35/46/51/1066354651.db2.gz DUMNIGQJTZVBFG-UHFFFAOYSA-N 0 0 456.999 4.569 20 0 JJADRN COc1cccc(O[C@@H](C)CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c1 ZINC001361105890 1066354913 /nfs/dbraw/zinc/35/49/13/1066354913.db2.gz AQFFOCQTLUNTRD-INIZCTEOSA-N 0 0 451.910 4.992 20 0 JJADRN C[C@H](C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC001443706221 1066354949 /nfs/dbraw/zinc/35/49/49/1066354949.db2.gz SPUKFMUFXZCSPA-PMACEKPBSA-N 0 0 450.579 4.784 20 0 JJADRN COC(=O)CCSCc1cccc(NC(=O)CCOc2cccc(Br)c2)c1 ZINC001443706144 1066354994 /nfs/dbraw/zinc/35/49/94/1066354994.db2.gz YRQOTVMYPJXCRX-UHFFFAOYSA-N 0 0 452.370 4.653 20 0 JJADRN Cc1cc(N2CCN(c3nnc(Cc4ccccc4F)n3CCC(C)C)CC2)nc(C(C)C)n1 ZINC001361105658 1066355232 /nfs/dbraw/zinc/35/52/32/1066355232.db2.gz RXVYSQJOZNZWGX-UHFFFAOYSA-N 0 0 465.621 4.603 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001443706971 1066355350 /nfs/dbraw/zinc/35/53/50/1066355350.db2.gz WVKLHOTVESWULG-FQEVSTJZSA-N 0 0 454.567 4.929 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361106022 1066355519 /nfs/dbraw/zinc/35/55/19/1066355519.db2.gz AHHHFVVTCDMFLE-RTBURBONSA-N 0 0 477.531 4.695 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C)Oc2cccc(C)c2)o1 ZINC001361106322 1066355639 /nfs/dbraw/zinc/35/56/39/1066355639.db2.gz DCODWIBGEQBMII-QGZVFWFLSA-N 0 0 476.499 4.970 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](C)Oc2cccc(C)c2)o1 ZINC001361106321 1066355681 /nfs/dbraw/zinc/35/56/81/1066355681.db2.gz DCODWIBGEQBMII-KRWDZBQOSA-N 0 0 476.499 4.970 20 0 JJADRN Cc1cc(C)c(C(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)cc1Br ZINC001455048128 1066355536 /nfs/dbraw/zinc/35/55/36/1066355536.db2.gz LGFNMKBOYHLRDL-UHFFFAOYSA-N 0 0 458.400 4.770 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H](C)c1nc2ccccc2o1 ZINC001455050542 1066355843 /nfs/dbraw/zinc/35/58/43/1066355843.db2.gz JRDOPDZCCYRIED-CYBMUJFWSA-N 0 0 453.340 4.926 20 0 JJADRN CCOC(=O)c1sc(C2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1C ZINC001455058048 1066356395 /nfs/dbraw/zinc/35/63/95/1066356395.db2.gz DHHABBHFHNPQDI-UHFFFAOYSA-N 0 0 455.363 4.524 20 0 JJADRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC001443716934 1066356480 /nfs/dbraw/zinc/35/64/80/1066356480.db2.gz MPMVCUPBBLQNBB-UHFFFAOYSA-N 0 0 451.567 4.570 20 0 JJADRN O=C(CCC(=O)N[C@@H](c1nccs1)c1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC001443719707 1066356556 /nfs/dbraw/zinc/35/65/56/1066356556.db2.gz XDVWYJQUOWSNBT-LJQANCHMSA-N 0 0 455.609 4.667 20 0 JJADRN O=C(NCc1cc(C(F)(F)F)n[nH]1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455059514 1066356569 /nfs/dbraw/zinc/35/65/69/1066356569.db2.gz ZMYCTZAGHJGNKS-KRWDZBQOSA-N 0 0 454.246 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC001455066626 1066356654 /nfs/dbraw/zinc/35/66/54/1066356654.db2.gz JLGHMNNFYWIFOE-CBPXPLCBSA-N 0 0 463.018 4.960 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455060334 1066356687 /nfs/dbraw/zinc/35/66/87/1066356687.db2.gz GJOVDWNXXRBQMJ-JOCHJYFZSA-N 0 0 455.986 4.803 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC001455067596 1066356829 /nfs/dbraw/zinc/35/68/29/1066356829.db2.gz SCFWJNHSDHMEDE-MJGOQNOKSA-N 0 0 463.390 4.577 20 0 JJADRN O=C(c1ccc(OC2CCOCC2)cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001443722771 1066356921 /nfs/dbraw/zinc/35/69/21/1066356921.db2.gz ARULCMSNAOGUKA-OAQYLSRUSA-N 0 0 454.325 4.904 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001361107840 1066356954 /nfs/dbraw/zinc/35/69/54/1066356954.db2.gz QVKZOMPNOFNNBX-FCHUYYIVSA-N 0 0 490.652 4.556 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)c1 ZINC001361107946 1066357085 /nfs/dbraw/zinc/35/70/85/1066357085.db2.gz RRFRUTOIFBGIHC-GOSISDBHSA-N 0 0 450.974 4.744 20 0 JJADRN CN(CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1C=O ZINC001455068364 1066357103 /nfs/dbraw/zinc/35/71/03/1066357103.db2.gz ZEXDSECOQWQJDA-NQIIRXRSSA-N 0 0 454.876 4.644 20 0 JJADRN COc1ccc(OC)c2sc(NC(=O)c3ccc(CCNC(=O)OC(C)(C)C)cc3)nc21 ZINC001455071163 1066357120 /nfs/dbraw/zinc/35/71/20/1066357120.db2.gz MHIFGUGBBXVNSV-UHFFFAOYSA-N 0 0 457.552 4.633 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(C3CCC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001361108481 1066357295 /nfs/dbraw/zinc/35/72/95/1066357295.db2.gz ZHODHWGWHSSSNR-JQVVWYNYSA-N 0 0 469.630 4.671 20 0 JJADRN COCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001443725406 1066357561 /nfs/dbraw/zinc/35/75/61/1066357561.db2.gz LUQGQFVOELIHCU-NRFANRHFSA-N 0 0 451.535 4.615 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC001361108420 1066357584 /nfs/dbraw/zinc/35/75/84/1066357584.db2.gz YAAIPEPMUQBQLO-ICSRJNTNSA-N 0 0 477.531 4.607 20 0 JJADRN O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC001443726186 1066357987 /nfs/dbraw/zinc/35/79/87/1066357987.db2.gz GLJUVKUQALPLPX-IBGZPJMESA-N 0 0 451.741 4.500 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361109587 1066357904 /nfs/dbraw/zinc/35/79/04/1066357904.db2.gz BROTZERDEJOHFW-WOJBJXKFSA-N 0 0 471.646 4.797 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)c1 ZINC001361109584 1066357985 /nfs/dbraw/zinc/35/79/85/1066357985.db2.gz BROTZERDEJOHFW-PMACEKPBSA-N 0 0 471.646 4.797 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC001455083650 1066358343 /nfs/dbraw/zinc/35/83/43/1066358343.db2.gz XIAAXUZRVBSIEF-LBPRGKRZSA-N 0 0 455.395 4.683 20 0 JJADRN CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)cn2)CC1 ZINC001443727503 1066358325 /nfs/dbraw/zinc/35/83/25/1066358325.db2.gz LVXMDFLLVAKDEX-FQEVSTJZSA-N 0 0 452.357 4.978 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)[C@H](C)Nc2ccnn21 ZINC001443729506 1066358964 /nfs/dbraw/zinc/35/89/64/1066358964.db2.gz PKUSMACDIXDOHQ-HLBODDRNSA-N 0 0 455.361 4.701 20 0 JJADRN CC1(C)CC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001455085094 1066358933 /nfs/dbraw/zinc/35/89/33/1066358933.db2.gz OTFDJJDPGOUFQC-BJKOFHAPSA-N 0 0 454.636 4.539 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109844 1066358895 /nfs/dbraw/zinc/35/88/95/1066358895.db2.gz HLNCMMAUORLLLQ-PKTZIBPZSA-N 0 0 450.631 4.907 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109852 1066358932 /nfs/dbraw/zinc/35/89/32/1066358932.db2.gz HPZXJXOHWXKAHS-NFBKMPQASA-N 0 0 479.673 4.768 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3cccc(C)c3)C2)n1 ZINC001361109855 1066359000 /nfs/dbraw/zinc/35/90/00/1066359000.db2.gz HPZXJXOHWXKAHS-REWPJTCUSA-N 0 0 479.673 4.768 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC001443729967 1066359220 /nfs/dbraw/zinc/35/92/20/1066359220.db2.gz NRPAVKNVVHLYMI-QGZVFWFLSA-N 0 0 459.612 4.727 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc1Cl ZINC001443730691 1066359281 /nfs/dbraw/zinc/35/92/81/1066359281.db2.gz RIZBKLDZVKBUTG-ZDUSSCGKSA-N 0 0 450.033 4.953 20 0 JJADRN Cc1ccccc1OCCCNC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001443731527 1066359845 /nfs/dbraw/zinc/35/98/45/1066359845.db2.gz NXEGAHJQTOHQOH-NRFANRHFSA-N 0 0 452.551 4.762 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC001361110561 1066359919 /nfs/dbraw/zinc/35/99/19/1066359919.db2.gz PZJXQRHCWBYQIO-QFIPXVFZSA-N 0 0 481.685 4.872 20 0 JJADRN CN(C)c1cc(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c2ccccc2n1 ZINC001455096468 1066360045 /nfs/dbraw/zinc/36/00/45/1066360045.db2.gz BEDAJCBFDXGALX-SANMLTNESA-N 0 0 454.615 4.704 20 0 JJADRN CSc1cc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)ccc1Br ZINC001443732132 1066360176 /nfs/dbraw/zinc/36/01/76/1066360176.db2.gz LRDXIUIFPDHGRA-CYBMUJFWSA-N 0 0 455.368 4.968 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC001361110790 1066360337 /nfs/dbraw/zinc/36/03/37/1066360337.db2.gz SOOXBLWUJLYBSK-QGZVFWFLSA-N 0 0 464.536 4.641 20 0 JJADRN COc1c(Br)c(C)sc1C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001443732749 1066360262 /nfs/dbraw/zinc/36/02/62/1066360262.db2.gz UHAIHIQCGBSCEN-NSHDSACASA-N 0 0 459.356 4.625 20 0 JJADRN Cc1nc(SC2CCCC2)sc1CC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001443731582 1066360463 /nfs/dbraw/zinc/36/04/63/1066360463.db2.gz PONUVVMVXJLIBC-MRXNPFEDSA-N 0 0 453.674 4.744 20 0 JJADRN CCc1c(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cnn1-c1ccccc1 ZINC001455098055 1066360475 /nfs/dbraw/zinc/36/04/75/1066360475.db2.gz MBXHTXADBGOIJO-AREMUKBSSA-N 0 0 454.615 4.838 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455100145 1066360644 /nfs/dbraw/zinc/36/06/44/1066360644.db2.gz GZXVVPLJNHHKOS-HFJWLAOPSA-N 0 0 454.615 4.598 20 0 JJADRN CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C1(C)C ZINC001361111120 1066360844 /nfs/dbraw/zinc/36/08/44/1066360844.db2.gz QCYSTIZDCPQCCN-BBRMVZONSA-N 0 0 456.151 4.874 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)c2csc(Nc3ccccn3)n2)C1 ZINC001455102680 1066360857 /nfs/dbraw/zinc/36/08/57/1066360857.db2.gz SDRWZOAFZFTQFD-HSZRJFAPSA-N 0 0 459.616 4.685 20 0 JJADRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1 ZINC001455101857 1066361171 /nfs/dbraw/zinc/36/11/71/1066361171.db2.gz YPSPGZVLQSHBET-FHLBMDLUSA-N 0 0 457.615 4.684 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Cl)c(F)cc3Br)CC2)c1 ZINC001443739264 1066361205 /nfs/dbraw/zinc/36/12/05/1066361205.db2.gz YEACZLVPYQUKNA-CYBMUJFWSA-N 0 0 455.755 4.769 20 0 JJADRN CO[C@]1(C)C[C@H](N(C)C(=O)c2cc(I)c(Cl)cc2Cl)C1(C)C ZINC001361111123 1066361209 /nfs/dbraw/zinc/36/12/09/1066361209.db2.gz QCYSTIZDCPQCCN-XJKSGUPXSA-N 0 0 456.151 4.874 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001361111196 1066361308 /nfs/dbraw/zinc/36/13/08/1066361308.db2.gz XIHUFHIXSVLTTP-UNMCSNQZSA-N 0 0 483.657 4.748 20 0 JJADRN Cc1cccc(O[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)c1 ZINC001361111410 1066361329 /nfs/dbraw/zinc/36/13/29/1066361329.db2.gz ZKESJZXCMWYPEZ-CTNGQTDRSA-N 0 0 482.629 4.727 20 0 JJADRN CN(C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001443735456 1066361611 /nfs/dbraw/zinc/36/16/11/1066361611.db2.gz XSHURHBHRAWXIX-MRXNPFEDSA-N 0 0 458.505 4.525 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001361111810 1066361759 /nfs/dbraw/zinc/36/17/59/1066361759.db2.gz CEKFELUQBQPSEM-BVAGGSTKSA-N 0 0 456.631 4.675 20 0 JJADRN C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)Oc1ccc(Cl)cc1 ZINC001361111678 1066362057 /nfs/dbraw/zinc/36/20/57/1066362057.db2.gz YNDQZDKILXXNGE-XOBRGWDASA-N 0 0 457.785 4.604 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cc(Cl)cc(Cl)c1N)C2 ZINC001455105856 1066362001 /nfs/dbraw/zinc/36/20/01/1066362001.db2.gz ASQKGNADVRAKGW-UHFFFAOYSA-N 0 0 452.338 4.957 20 0 JJADRN Cn1c(C(=O)N2CCN(C)Cc3ccccc32)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001443752450 1066362128 /nfs/dbraw/zinc/36/21/28/1066362128.db2.gz AHQVITBCCOAWSW-JOCHJYFZSA-N 0 0 452.599 4.579 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)CCSc2ncnc3sc(C)c(C)c32)cc1 ZINC001443746271 1066362200 /nfs/dbraw/zinc/36/22/00/1066362200.db2.gz ZBPGTPDBRSECDS-UHFFFAOYSA-N 0 0 459.593 4.761 20 0 JJADRN Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001455108911 1066362422 /nfs/dbraw/zinc/36/24/22/1066362422.db2.gz LWMLUAGVEASJHZ-GFCCVEGCSA-N 0 0 453.552 4.512 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCCCC2)c1 ZINC001361111995 1066362386 /nfs/dbraw/zinc/36/23/86/1066362386.db2.gz IDLFAWLJGXAUMB-UHFFFAOYSA-N 0 0 455.990 4.512 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)CCCOCCc1ccccc1)C2 ZINC001455110955 1066362591 /nfs/dbraw/zinc/36/25/91/1066362591.db2.gz WLBLKDIPBPANCF-UHFFFAOYSA-N 0 0 454.567 4.794 20 0 JJADRN Cc1cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001443755932 1066362633 /nfs/dbraw/zinc/36/26/33/1066362633.db2.gz FGYXZMJCJZHMBC-TWGQIWQCSA-N 0 0 454.496 4.671 20 0 JJADRN CCCc1c(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001443759473 1066362978 /nfs/dbraw/zinc/36/29/78/1066362978.db2.gz LRQAJNJSJNSUKS-LCYFTJDESA-N 0 0 457.622 4.814 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001443760973 1066363054 /nfs/dbraw/zinc/36/30/54/1066363054.db2.gz WZIZMKKGUSSDJF-IBVKSMDESA-N 0 0 458.606 4.703 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1ccc(C3CCOCC3)cc1)C2 ZINC001455111806 1066363177 /nfs/dbraw/zinc/36/31/77/1066363177.db2.gz ZZMZFGMWRWTRNJ-UHFFFAOYSA-N 0 0 452.551 4.962 20 0 JJADRN O=C([C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001455116295 1066363257 /nfs/dbraw/zinc/36/32/57/1066363257.db2.gz UWYODSBUBHEDLU-LAUBAEHRSA-N 0 0 450.362 4.504 20 0 JJADRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(Br)c(Cl)c2F)n1 ZINC001361112594 1066363285 /nfs/dbraw/zinc/36/32/85/1066363285.db2.gz BJELIYJIGFRZLC-VIFPVBQESA-N 0 0 454.683 4.791 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC[C@@]3(C)C3CCCCC3)c2)c1 ZINC001455120305 1066363783 /nfs/dbraw/zinc/36/37/83/1066363783.db2.gz ZUEKECVXVHSBPL-SANMLTNESA-N 0 0 452.551 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1CCN(Cc3ccc(Cl)c(Cl)c3)CC1)C2 ZINC001443766364 1066364180 /nfs/dbraw/zinc/36/41/80/1066364180.db2.gz KLKKRMHUBVISBK-LQWHRVPQSA-N 0 0 482.452 4.862 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC001361113182 1066364487 /nfs/dbraw/zinc/36/44/87/1066364487.db2.gz PVSVAOATOZPSTM-CLVCIHKQSA-N 0 0 458.518 4.973 20 0 JJADRN Cc1cccc(OCCN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC001361113329 1066364508 /nfs/dbraw/zinc/36/45/08/1066364508.db2.gz IZPOYXXHPNAFEI-FGZHOGPDSA-N 0 0 487.645 4.503 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001361113279 1066364595 /nfs/dbraw/zinc/36/45/95/1066364595.db2.gz HTKQRJYVQSZGNK-KRWDZBQOSA-N 0 0 480.638 4.866 20 0 JJADRN O=C(NC[C@@H]1CCN(CC(F)F)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001455152099 1066365726 /nfs/dbraw/zinc/36/57/26/1066365726.db2.gz IGNJUEJHICAUNE-ZDUSSCGKSA-N 0 0 457.290 4.697 20 0 JJADRN CC[C@H](C)Oc1cc(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccn1 ZINC001455153313 1066365762 /nfs/dbraw/zinc/36/57/62/1066365762.db2.gz ITHJEAPVGMHNCV-PGRDOPGGSA-N 0 0 457.615 4.901 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)NC[C@H](C)Oc3ccc(Br)cc3)c2)cn1 ZINC001361114525 1066365820 /nfs/dbraw/zinc/36/58/20/1066365820.db2.gz LTHXNZIQGLMYPX-KRWDZBQOSA-N 0 0 455.352 4.929 20 0 JJADRN C[C@@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)Oc1ccc(Br)cc1 ZINC001361114508 1066365853 /nfs/dbraw/zinc/36/58/53/1066365853.db2.gz LOHIAYHRPIQIML-STQMWFEESA-N 0 0 457.162 4.563 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)Oc1ccc(Br)cc1 ZINC001361114462 1066365865 /nfs/dbraw/zinc/36/58/65/1066365865.db2.gz KSFUVYFTTXPZSC-OCBCSQNSSA-N 0 0 453.174 4.899 20 0 JJADRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001443774358 1066365962 /nfs/dbraw/zinc/36/59/62/1066365962.db2.gz ZOZWABIGMXLODO-NRFANRHFSA-N 0 0 454.442 4.501 20 0 JJADRN Cc1ccc([C@@H](NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c2ccc(F)cc2Cl)cc1 ZINC001443770553 1066366209 /nfs/dbraw/zinc/36/62/09/1066366209.db2.gz VFQULHUZHUSMAU-RSXGOPAZSA-N 0 0 450.941 4.841 20 0 JJADRN CN(CCCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1 ZINC001455155908 1066366172 /nfs/dbraw/zinc/36/61/72/1066366172.db2.gz XFQMGNVQVWTTQK-UHFFFAOYSA-N 0 0 459.981 4.773 20 0 JJADRN C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)Oc1ccc(Br)cc1 ZINC001361114505 1066366192 /nfs/dbraw/zinc/36/61/92/1066366192.db2.gz LOHIAYHRPIQIML-CHWSQXEVSA-N 0 0 457.162 4.563 20 0 JJADRN Cc1ccn2cc(Cn3c(CC(C)(C)C)nnc3N(C)Cc3ccc(Br)o3)nc2c1 ZINC001361115266 1066366561 /nfs/dbraw/zinc/36/65/61/1066366561.db2.gz DSSSPODGPHTCRJ-UHFFFAOYSA-N 0 0 471.403 4.863 20 0 JJADRN CN1CCC[C@@H](C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)C1=O ZINC001443776756 1066366674 /nfs/dbraw/zinc/36/66/74/1066366674.db2.gz XJNVAUWGAORQOR-OAQYLSRUSA-N 0 0 457.368 4.601 20 0 JJADRN O=C(CSc1nccn1Cc1ccccc1)NCC(=O)c1sc2ccccc2c1Cl ZINC001455160427 1066366942 /nfs/dbraw/zinc/36/69/42/1066366942.db2.gz RWHFETMBAQJFKC-UHFFFAOYSA-N 0 0 455.992 4.891 20 0 JJADRN COc1ccc(-n2ccnc2SCC(=O)NCC2(c3cccc(OC)c3)CCCC2)cc1 ZINC001443776045 1066366842 /nfs/dbraw/zinc/36/68/42/1066366842.db2.gz CWCPZSDUKUYXET-UHFFFAOYSA-N 0 0 451.592 4.610 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1 ZINC001361116540 1066367416 /nfs/dbraw/zinc/36/74/16/1066367416.db2.gz FRVSWRXMXJHHCD-NOZRDPDXSA-N 0 0 495.712 4.979 20 0 JJADRN CC(C)Cc1ccc([C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)c2cccs2)cc1 ZINC001455171821 1066368064 /nfs/dbraw/zinc/36/80/64/1066368064.db2.gz UEXJSMBJFKBZRW-XMMPIXPASA-N 0 0 456.633 4.521 20 0 JJADRN COc1cccc(C2(CNC(=O)CCSCc3nc4ccccc4c(=O)[nH]3)CCCC2)c1 ZINC001443781905 1066368049 /nfs/dbraw/zinc/36/80/49/1066368049.db2.gz SIWJHRRVPIHXMY-UHFFFAOYSA-N 0 0 451.592 4.596 20 0 JJADRN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC001443781920 1066368159 /nfs/dbraw/zinc/36/81/59/1066368159.db2.gz UBAVBBCLGWGUHV-UHFFFAOYSA-N 0 0 455.555 4.789 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC001443785848 1066368355 /nfs/dbraw/zinc/36/83/55/1066368355.db2.gz CIRLIGIEAHRNQS-UHFFFAOYSA-N 0 0 454.596 4.679 20 0 JJADRN COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2cc(CC(C)(C)C)nn2C)cc1OC ZINC001443786879 1066368457 /nfs/dbraw/zinc/36/84/57/1066368457.db2.gz GDSXPQVZPVXDCF-UHFFFAOYSA-N 0 0 450.539 4.531 20 0 JJADRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)OCc3ccccc3Cl)c12 ZINC001443787248 1066368492 /nfs/dbraw/zinc/36/84/92/1066368492.db2.gz BPKGKKYVINNGNS-UHFFFAOYSA-N 0 0 455.942 4.815 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001443787656 1066368524 /nfs/dbraw/zinc/36/85/24/1066368524.db2.gz JZUNHCSGGAEQGY-MRXNPFEDSA-N 0 0 450.580 4.878 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001455187881 1066368580 /nfs/dbraw/zinc/36/85/80/1066368580.db2.gz LSEAYRUSIOODMG-HXUWFJFHSA-N 0 0 456.514 4.976 20 0 JJADRN Cc1nc(COc2ccc(NC(=O)C[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)no1 ZINC001443786068 1066368685 /nfs/dbraw/zinc/36/86/85/1066368685.db2.gz GEWZDSXCWAFEMM-MRXNPFEDSA-N 0 0 458.559 4.569 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC=CCC3)CC2)s1 ZINC001361117669 1066368952 /nfs/dbraw/zinc/36/89/52/1066368952.db2.gz MCVKSGWZGIUBGJ-LJQANCHMSA-N 0 0 455.672 4.992 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(-c4ccccn4)n3CCCC(C)C)CC2)s1 ZINC001361117440 1066368979 /nfs/dbraw/zinc/36/89/79/1066368979.db2.gz GOLPFYKRFYSPAH-UHFFFAOYSA-N 0 0 452.628 4.545 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)s1 ZINC001455193838 1066369013 /nfs/dbraw/zinc/36/90/13/1066369013.db2.gz YQJGDDNQPFNTGZ-KRWDZBQOSA-N 0 0 458.580 4.922 20 0 JJADRN COCc1ncsc1C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 ZINC001361118201 1066369363 /nfs/dbraw/zinc/36/93/63/1066369363.db2.gz SNUHLZOCROCEOP-UHFFFAOYSA-N 0 0 457.353 4.702 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC001361117886 1066369410 /nfs/dbraw/zinc/36/94/10/1066369410.db2.gz QLAJRBGICXZGEU-DOTOQJQBSA-N 0 0 455.550 4.649 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)s1 ZINC001361118003 1066369458 /nfs/dbraw/zinc/36/94/58/1066369458.db2.gz QZSSYHFSXYTJRO-OAQYLSRUSA-N 0 0 487.714 4.985 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)C3CCCCC3)CC2)s1 ZINC001361118090 1066369475 /nfs/dbraw/zinc/36/94/75/1066369475.db2.gz SHKCANKYIBQKJZ-AREMUKBSSA-N 0 0 487.714 4.676 20 0 JJADRN CCSc1ccc(CC(=O)NCC(=O)OCc2ccccc2Cl)c(Br)c1 ZINC001443792828 1066369710 /nfs/dbraw/zinc/36/97/10/1066369710.db2.gz KJAUVIDQKJNXIV-UHFFFAOYSA-N 0 0 456.789 4.617 20 0 JJADRN COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)c1 ZINC001455199459 1066369669 /nfs/dbraw/zinc/36/96/69/1066369669.db2.gz UDSVBUKLKLCFOJ-GOSISDBHSA-N 0 0 454.449 4.888 20 0 JJADRN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCOc3ccc(F)cc3)CC2)s1 ZINC001361118326 1066370001 /nfs/dbraw/zinc/37/00/01/1066370001.db2.gz WOASTFWAOFDALH-UHFFFAOYSA-N 0 0 485.629 4.778 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1ncc(C(F)(F)F)cc1Cl)Cc1cccc2ccccc21 ZINC001443805964 1066369954 /nfs/dbraw/zinc/36/99/54/1066369954.db2.gz AQAQHRIMTDDKHU-OAHLLOKOSA-N 0 0 450.844 4.669 20 0 JJADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC001443804338 1066369969 /nfs/dbraw/zinc/36/99/69/1066369969.db2.gz NHKIWHSEKLAODK-QFIPXVFZSA-N 0 0 450.514 4.928 20 0 JJADRN COC(=O)c1cc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)n(C)c1C ZINC001455204742 1066370422 /nfs/dbraw/zinc/37/04/22/1066370422.db2.gz NUCBJEMSBQGMEZ-UHFFFAOYSA-N 0 0 459.329 4.588 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc(Br)cc1Cl ZINC001443811852 1066370867 /nfs/dbraw/zinc/37/08/67/1066370867.db2.gz DISKITPPZZBESB-AREMUKBSSA-N 0 0 456.789 4.783 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H]2C)cc1 ZINC001361119873 1066370853 /nfs/dbraw/zinc/37/08/53/1066370853.db2.gz LHDPQMRQYFMRMB-JKSUJKDBSA-N 0 0 488.455 4.742 20 0 JJADRN Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCCCCC[C@H]32)cc1F ZINC001361120104 1066370945 /nfs/dbraw/zinc/37/09/45/1066370945.db2.gz FYQWHIPPUWUKIL-RBBKRZOGSA-N 0 0 455.622 4.903 20 0 JJADRN 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Cc1ccc(C(=O)NCCn2c(C3CCCC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001361120845 1066371431 /nfs/dbraw/zinc/37/14/31/1066371431.db2.gz QVIKRVNVTFLMPF-GOSISDBHSA-N 0 0 467.511 4.592 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)cc12 ZINC001361121452 1066371799 /nfs/dbraw/zinc/37/17/99/1066371799.db2.gz JZPJUVXDQYASJZ-ZDUSSCGKSA-N 0 0 456.015 4.819 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361122049 1066371832 /nfs/dbraw/zinc/37/18/32/1066371832.db2.gz COWNNGZFQKTVBD-UXHICEINSA-N 0 0 455.647 4.815 20 0 JJADRN COc1cc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(Cl)c1OCC(C)C ZINC001455220286 1066372064 /nfs/dbraw/zinc/37/20/64/1066372064.db2.gz OGOOBNSWBZXBJB-YLJYHZDGSA-N 0 0 459.892 4.648 20 0 JJADRN CN(CC(=O)NCc1cccs1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001443822126 1066371962 /nfs/dbraw/zinc/37/19/62/1066371962.db2.gz MFZGCZGMOWAHGA-PLNGDYQASA-N 0 0 450.404 4.574 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361122048 1066372134 /nfs/dbraw/zinc/37/21/34/1066372134.db2.gz COWNNGZFQKTVBD-PMACEKPBSA-N 0 0 455.647 4.815 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CC[C@@H](SC)C2)cc1OC ZINC001361122132 1066372340 /nfs/dbraw/zinc/37/23/40/1066372340.db2.gz GMEGGQCDARFJOW-WOJBJXKFSA-N 0 0 451.592 4.630 20 0 JJADRN COC(=O)[C@H](CNC(=O)C1(c2ccc(C)c(C)c2)CCOCC1)Cc1cccc2ccccc21 ZINC001443827898 1066372770 /nfs/dbraw/zinc/37/27/70/1066372770.db2.gz ZNZKSOSQJYVEOW-DEOSSOPVSA-N 0 0 459.586 4.653 20 0 JJADRN Cc1ccc(C(=O)NCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)cc1 ZINC001361122790 1066372774 /nfs/dbraw/zinc/37/27/74/1066372774.db2.gz OENOSRCRFJXTRE-UEVCKROQSA-N 0 0 467.658 4.562 20 0 JJADRN CCc1ccccc1Oc1ccc(Cl)cc1CN(C)C(=O)CNc1ccccc1C(N)=O ZINC001455225268 1066372829 /nfs/dbraw/zinc/37/28/29/1066372829.db2.gz JLMJACCSUWBTSJ-UHFFFAOYSA-N 0 0 451.954 4.864 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC2CC(C)(C)C2)c1 ZINC001361123286 1066372924 /nfs/dbraw/zinc/37/29/24/1066372924.db2.gz WVROVRBENJGTAD-IBGZPJMESA-N 0 0 476.687 4.594 20 0 JJADRN COc1cc2c(cc1OC)[C@H](NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCCC2 ZINC001455224742 1066372941 /nfs/dbraw/zinc/37/29/41/1066372941.db2.gz JUMVKRPKWKXIGD-VSBBPVLZSA-N 0 0 458.599 4.791 20 0 JJADRN CCc1[nH]n(C)c2nnc(NC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)c1-2 ZINC001443832411 1066373287 /nfs/dbraw/zinc/37/32/87/1066373287.db2.gz KHYGAWHSJLPSGZ-UHFFFAOYSA-N 0 0 457.321 4.670 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2Cc2nccs2)c1 ZINC001361123408 1066373377 /nfs/dbraw/zinc/37/33/77/1066373377.db2.gz ADYQKQAOEPQPLX-LJQANCHMSA-N 0 0 455.628 4.657 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCc3cnccn3)n2Cc2ccsc2)c1 ZINC001361123465 1066373892 /nfs/dbraw/zinc/37/38/92/1066373892.db2.gz BMVOYKFAFPBITD-UHFFFAOYSA-N 0 0 462.623 4.868 20 0 JJADRN 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ZINC001455248250 1066374807 /nfs/dbraw/zinc/37/48/07/1066374807.db2.gz OUCHZDYXGSFFPX-LJQANCHMSA-N 0 0 454.477 4.538 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCn2cncn2)c1 ZINC001361123691 1066375202 /nfs/dbraw/zinc/37/52/02/1066375202.db2.gz JUROVWZUHJAKML-TZIWHRDSSA-N 0 0 451.619 4.596 20 0 JJADRN C[C@@H](C(=O)NC1(c2cc(Cl)cc(Br)c2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001455252908 1066375368 /nfs/dbraw/zinc/37/53/68/1066375368.db2.gz BXDPRGXJPULRPN-GFCCVEGCSA-N 0 0 457.796 4.711 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCCCC3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361123902 1066375427 /nfs/dbraw/zinc/37/54/27/1066375427.db2.gz QMFCOGYMTXLGEU-UHFFFAOYSA-N 0 0 495.590 4.984 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)OC ZINC001545962783 1066375391 /nfs/dbraw/zinc/37/53/91/1066375391.db2.gz KDZBZZYJNDVPGA-FQEVSTJZSA-N 0 0 475.634 4.745 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545962773 1066375430 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450.894 4.907 20 0 JJADRN Cc1n[nH]cc1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC(F)(F)F ZINC001361123997 1066376649 /nfs/dbraw/zinc/37/66/49/1066376649.db2.gz SWBWYWUTGYTVAR-UHFFFAOYSA-N 0 0 464.536 4.952 20 0 JJADRN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CNc2cccc(Cl)c2)c1 ZINC001455258634 1066376958 /nfs/dbraw/zinc/37/69/58/1066376958.db2.gz QXNGJEMTLWBGSF-NRFANRHFSA-N 0 0 459.974 4.581 20 0 JJADRN CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C ZINC001443854120 1066376941 /nfs/dbraw/zinc/37/69/41/1066376941.db2.gz ZRZMUHILVHFGDY-XZOQPEGZSA-N 0 0 457.615 4.665 20 0 JJADRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001443856400 1066377027 /nfs/dbraw/zinc/37/70/27/1066377027.db2.gz SZFOHWQYUNJKTA-HSZRJFAPSA-N 0 0 459.464 4.855 20 0 JJADRN CC(C)Cn1ncc(C(=O)N2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1-c1ccccc1 ZINC001455265858 1066377242 /nfs/dbraw/zinc/37/72/42/1066377242.db2.gz AHZPGANGVJDIII-UHFFFAOYSA-N 0 0 452.599 4.679 20 0 JJADRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1OC ZINC001443862033 1066377403 /nfs/dbraw/zinc/37/74/03/1066377403.db2.gz FBUTYMNONKQCOT-IAGOWNOFSA-N 0 0 457.571 4.616 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CC(CC3CCOCC3)C2)CC1 ZINC001455266532 1066377536 /nfs/dbraw/zinc/37/75/36/1066377536.db2.gz PWELGJOZHIVNIR-UHFFFAOYSA-N 0 0 456.627 4.765 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnccn3)n2Cc2ccc(Cl)nc2)c1 ZINC001361124131 1066377441 /nfs/dbraw/zinc/37/74/41/1066377441.db2.gz XULRMNOGVNIPDJ-UHFFFAOYSA-N 0 0 478.000 4.812 20 0 JJADRN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc3)o2)cc1 ZINC001443859821 1066377485 /nfs/dbraw/zinc/37/74/85/1066377485.db2.gz JNJLKNBNRZXIIN-QGZVFWFLSA-N 0 0 450.539 4.697 20 0 JJADRN Cc1ncc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(O)CCCC2)s1 ZINC001361124153 1066377709 /nfs/dbraw/zinc/37/77/09/1066377709.db2.gz YJJQVGFWYSCNAR-UHFFFAOYSA-N 0 0 469.655 4.995 20 0 JJADRN CN1CC[C@@H](C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c2ccccc21 ZINC001443864607 1066377862 /nfs/dbraw/zinc/37/78/62/1066377862.db2.gz IEZGBUJDIWOHCZ-HXUWFJFHSA-N 0 0 456.514 4.501 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1ccc(Br)cc1F ZINC001443872558 1066378513 /nfs/dbraw/zinc/37/85/13/1066378513.db2.gz DTHZIDTWTDIAOE-MPKNPAPTSA-N 0 0 469.395 4.696 20 0 JJADRN Cn1c(CCCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)nc2ccccc21 ZINC001443869095 1066378618 /nfs/dbraw/zinc/37/86/18/1066378618.db2.gz HQWTVBHTPMJHJN-UHFFFAOYSA-N 0 0 456.262 4.597 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC001361125088 1066378657 /nfs/dbraw/zinc/37/86/57/1066378657.db2.gz QCGAEJQSVMMCIF-MJBXVCDLSA-N 0 0 459.490 4.993 20 0 JJADRN COC(=O)C[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(SC)cc1 ZINC001361125191 1066378677 /nfs/dbraw/zinc/37/86/77/1066378677.db2.gz RLJKVKUACPNRJS-QGZVFWFLSA-N 0 0 456.789 4.788 20 0 JJADRN Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)n1 ZINC001443870148 1066378688 /nfs/dbraw/zinc/37/86/88/1066378688.db2.gz KTPVTJVIYWMFBD-OAHLLOKOSA-N 0 0 458.349 4.996 20 0 JJADRN Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC001443873850 1066379332 /nfs/dbraw/zinc/37/93/32/1066379332.db2.gz YIGIFJBLJCVCNT-UHFFFAOYSA-N 0 0 454.857 4.566 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C(C)C)CC3)n2CC(=O)NCC(F)F)c1 ZINC001361125738 1066379289 /nfs/dbraw/zinc/37/92/89/1066379289.db2.gz BRPLTXJZSHDAAB-UHFFFAOYSA-N 0 0 477.600 4.543 20 0 JJADRN COc1cc(C)c([C@H](C)NC(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)cc1OC ZINC001443877037 1066379784 /nfs/dbraw/zinc/37/97/84/1066379784.db2.gz RJICWHZMVKDJJN-HNNXBMFYSA-N 0 0 458.555 4.505 20 0 JJADRN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(Br)cc1F ZINC001443876007 1066379922 /nfs/dbraw/zinc/37/99/22/1066379922.db2.gz KNYFFHBHPFQHMX-KBXCAEBGSA-N 0 0 459.400 4.967 20 0 JJADRN CC(C)Oc1cc(Cl)ccc1CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC001455286666 1066380432 /nfs/dbraw/zinc/38/04/32/1066380432.db2.gz VMCDFTDGKDGBCY-UHFFFAOYSA-N 0 0 453.970 4.914 20 0 JJADRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879083 1066380349 /nfs/dbraw/zinc/38/03/49/1066380349.db2.gz HZPZSTMFKJYJBB-QFIPXVFZSA-N 0 0 453.945 4.848 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCCSC2)c1 ZINC001361125837 1066380376 /nfs/dbraw/zinc/38/03/76/1066380376.db2.gz FOJGITMSMNVOJZ-NRFANRHFSA-N 0 0 485.698 4.524 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC2([S@](C)=O)CC2)c1 ZINC001361125934 1066380619 /nfs/dbraw/zinc/38/06/19/1066380619.db2.gz HQPUVMNNKFNBFQ-UMSFTDKQSA-N 0 0 496.599 4.899 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@H]2CCCO2)cs1 ZINC001361125926 1066380934 /nfs/dbraw/zinc/38/09/34/1066380934.db2.gz HMDBNVKEEGEOLR-OAQYLSRUSA-N 0 0 469.655 4.912 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)cc1 ZINC001443884672 1066381354 /nfs/dbraw/zinc/38/13/54/1066381354.db2.gz LGSPQELXOQALBI-CUHUQNRHSA-N 0 0 451.567 4.738 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(C)(C)OC[C@@H]1C)OC ZINC001545963048 1066381493 /nfs/dbraw/zinc/38/14/93/1066381493.db2.gz PAYJDXPFCSBVCK-RBUKOAKNSA-N 0 0 454.571 4.546 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2sc3nc(C)nc(N)c3c2C)cc1 ZINC001443892816 1066382063 /nfs/dbraw/zinc/38/20/63/1066382063.db2.gz PUCVHRGIZIIRSZ-MOPGFXCFSA-N 0 0 454.596 4.799 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([C@@H]4CC4(F)F)CC3)n2CCC(=O)N(C)C)c1 ZINC001361126025 1066382066 /nfs/dbraw/zinc/38/20/66/1066382066.db2.gz JJACGJZTENKDEA-NRFANRHFSA-N 0 0 489.611 4.639 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCCCCC[C@H]43)n2CCC(=O)N(C)C)c1 ZINC001361126181 1066382842 /nfs/dbraw/zinc/38/28/42/1066382842.db2.gz MQVJXUWGKUQVRH-JTHBVZDNSA-N 0 0 467.658 4.926 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443893112 1066382906 /nfs/dbraw/zinc/38/29/06/1066382906.db2.gz QPDSRBSZLSSPON-UYAOXDASSA-N 0 0 459.776 4.990 20 0 JJADRN O=C(c1cc(Cl)c(F)cc1Br)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1 ZINC001455314232 1066382972 /nfs/dbraw/zinc/38/29/72/1066382972.db2.gz JEYQAKXFUYOLEF-GOSISDBHSA-N 0 0 452.686 4.892 20 0 JJADRN O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001443905923 1066384186 /nfs/dbraw/zinc/38/41/86/1066384186.db2.gz CFOHQUWIIBRZEM-SREVYHEPSA-N 0 0 458.412 4.711 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc21 ZINC001443913346 1066384834 /nfs/dbraw/zinc/38/48/34/1066384834.db2.gz VTQZDZNABXFAQA-CQSZACIVSA-N 0 0 452.393 4.908 20 0 JJADRN O=C(/C=C\c1ccc(I)o1)NCCn1c2ccccc2c2ccccc21 ZINC001546071857 1066384944 /nfs/dbraw/zinc/38/49/44/1066384944.db2.gz QRFYVBSGLNVLBE-BENRWUELSA-N 0 0 456.283 4.822 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)NCCn1c2ccccc2c2ccccc21 ZINC001546071858 1066384991 /nfs/dbraw/zinc/38/49/91/1066384991.db2.gz QRFYVBSGLNVLBE-ZRDIBKRKSA-N 0 0 456.283 4.822 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cs1 ZINC001455391871 1066385228 /nfs/dbraw/zinc/38/52/28/1066385228.db2.gz JZJOWZNZUPEJMS-UHFFFAOYSA-N 0 0 458.559 4.896 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455389099 1066385320 /nfs/dbraw/zinc/38/53/20/1066385320.db2.gz QHFCNBWLBIJAQL-QUGAMOGWSA-N 0 0 455.599 4.706 20 0 JJADRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001443922811 1066385687 /nfs/dbraw/zinc/38/56/87/1066385687.db2.gz WIEAVTSRLNINDZ-UUOWRZLLSA-N 0 0 455.640 4.660 20 0 JJADRN CC(C)n1cnc2ccc(CNC(=O)C3(c4ccc(I)cc4)CC3)cc21 ZINC001455398096 1066385925 /nfs/dbraw/zinc/38/59/25/1066385925.db2.gz QHYVVKOWEDAVSH-UHFFFAOYSA-N 0 0 459.331 4.570 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)c1 ZINC001361126636 1066385986 /nfs/dbraw/zinc/38/59/86/1066385986.db2.gz WTMVKHARAGHGKN-WOJBJXKFSA-N 0 0 489.611 4.816 20 0 JJADRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)COc2ccccc2Br)c1 ZINC001455395454 1066386099 /nfs/dbraw/zinc/38/60/99/1066386099.db2.gz XHIVKIJMTQJYKC-UHFFFAOYSA-N 0 0 453.308 4.630 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCCC(F)(F)F)c1 ZINC001361126759 1066386236 /nfs/dbraw/zinc/38/62/36/1066386236.db2.gz ZZVGXBWUCARAAE-PMACEKPBSA-N 0 0 493.574 4.879 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCO[C@H](C)C3)n2CCc2nccs2)c1 ZINC001361126950 1066386442 /nfs/dbraw/zinc/38/64/42/1066386442.db2.gz CQGBICRJYGYKLW-LJQANCHMSA-N 0 0 455.628 4.603 20 0 JJADRN COC(=O)CC[C@H]1CCCN(C(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)C1 ZINC001455401654 1066386397 /nfs/dbraw/zinc/38/63/97/1066386397.db2.gz SWHVOUZLLIFPSG-CQSZACIVSA-N 0 0 459.593 4.915 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC(=O)NC(C)C)c1 ZINC001361126957 1066386732 /nfs/dbraw/zinc/38/67/32/1066386732.db2.gz CSVZXDDQDCXTAQ-LJQANCHMSA-N 0 0 477.600 4.685 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)c1 ZINC001361126955 1066386775 /nfs/dbraw/zinc/38/67/75/1066386775.db2.gz CRJYZIDINMOLIO-SFTDATJTSA-N 0 0 499.656 4.571 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2(CC(C)C)CC2)c1 ZINC001361127260 1066387265 /nfs/dbraw/zinc/38/72/65/1066387265.db2.gz GLMJTMGTPGNDBU-NRFANRHFSA-N 0 0 488.698 4.739 20 0 JJADRN C[C@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)c1cccc(F)c1 ZINC001455416955 1066387891 /nfs/dbraw/zinc/38/78/91/1066387891.db2.gz SXKZEZNGNSFSPR-VGSWGCGISA-N 0 0 454.542 4.513 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3c3ccco3)n2CCC(=O)N(C)C)c1 ZINC001361127328 1066387972 /nfs/dbraw/zinc/38/79/72/1066387972.db2.gz HNBYHTJSAZEIMT-NRFANRHFSA-N 0 0 465.598 4.702 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nccs2)C1)OC ZINC001545963412 1066387978 /nfs/dbraw/zinc/38/79/78/1066387978.db2.gz VZVJDHZQDFBODQ-UXHICEINSA-N 0 0 455.628 4.702 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CSCCS2)C1 ZINC001546072514 1066388059 /nfs/dbraw/zinc/38/80/59/1066388059.db2.gz GHUORJIIIBQSQN-CYFREDJKSA-N 0 0 495.759 4.868 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CO[C@H]1CCCc2ccccc21 ZINC001455411950 1066388141 /nfs/dbraw/zinc/38/81/41/1066388141.db2.gz KETPOJNABCOXQG-VWNXMTODSA-N 0 0 450.579 4.559 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Oc1cccc(F)c1 ZINC001545963403 1066388273 /nfs/dbraw/zinc/38/82/73/1066388273.db2.gz VUWCEFPBHRBEHS-RTWAWAEBSA-N 0 0 497.615 4.974 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC[C@H]2COCCO2)c1 ZINC001361127505 1066388460 /nfs/dbraw/zinc/38/84/60/1066388460.db2.gz KFPKULTVGNMZCK-JTHBVZDNSA-N 0 0 456.631 4.719 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](C)CC3)n2CC2(C(N)=O)CCCC2)c1 ZINC001361127480 1066388651 /nfs/dbraw/zinc/38/86/51/1066388651.db2.gz JMZUAKJULAJLJN-HXUWFJFHSA-N 0 0 467.658 4.961 20 0 JJADRN Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(-n2cccc2)s1 ZINC001455418831 1066388603 /nfs/dbraw/zinc/38/86/03/1066388603.db2.gz ZJVIAAVFCOBUGY-FQEVSTJZSA-N 0 0 451.592 4.939 20 0 JJADRN 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ZINC001361127714 1066389417 /nfs/dbraw/zinc/38/94/17/1066389417.db2.gz NVMRTJJXJRDPFJ-UHFFFAOYSA-N 0 0 489.546 4.810 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001361127767 1066389514 /nfs/dbraw/zinc/38/95/14/1066389514.db2.gz OMOADNBUGWJQHZ-QHCPKHFHSA-N 0 0 494.684 4.939 20 0 JJADRN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001443973097 1066389682 /nfs/dbraw/zinc/38/96/82/1066389682.db2.gz JBNRGLJNRWEOTB-WDYCEAGBSA-N 0 0 457.537 4.730 20 0 JJADRN Cc1ccccc1COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC001443975197 1066389920 /nfs/dbraw/zinc/38/99/20/1066389920.db2.gz HXFYYXNXAGVCOS-UHFFFAOYSA-N 0 0 450.560 4.515 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CSc1nccn1-c1cc(C)cc(C)c1)CC2 ZINC001455433825 1066389868 /nfs/dbraw/zinc/38/98/68/1066389868.db2.gz ORENYBLVLVOJKY-GOSISDBHSA-N 0 0 451.592 4.744 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCOCC3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC001361127829 1066390053 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NDWYAJBCOURZJC-UHFFFAOYSA-N 0 0 451.704 4.614 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)SC)C1 ZINC001546072741 1066390414 /nfs/dbraw/zinc/39/04/14/1066390414.db2.gz JNRODHWPDRAKHA-HXOBKFHXSA-N 0 0 451.681 4.771 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@H](C(N)=O)C2)s1 ZINC001361128108 1066390623 /nfs/dbraw/zinc/39/06/23/1066390623.db2.gz SIZYOLNYGJOOIS-ICSRJNTNSA-N 0 0 496.681 4.559 20 0 JJADRN C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455444417 1066390828 /nfs/dbraw/zinc/39/08/28/1066390828.db2.gz GIFDTHDULHLNLF-VIVQCKIBSA-N 0 0 456.627 4.977 20 0 JJADRN O=C(CCc1cc(C(F)(F)F)ccc1Br)N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001455445444 1066390923 /nfs/dbraw/zinc/39/09/23/1066390923.db2.gz YSJJWYRRVAMIFJ-GOSISDBHSA-N 0 0 459.281 4.713 20 0 JJADRN Cc1cnn(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC(F)(F)CC2)c1 ZINC001361128328 1066391354 /nfs/dbraw/zinc/39/13/54/1066391354.db2.gz WMXKYLZLLXBZRF-UHFFFAOYSA-N 0 0 458.557 4.730 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCCc2cnn(C)n2)c1 ZINC001361128292 1066391696 /nfs/dbraw/zinc/39/16/96/1066391696.db2.gz WEAHZHOQHGIVRR-OAQYLSRUSA-N 0 0 465.646 4.677 20 0 JJADRN CCCN(CC)C(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001443991148 1066391760 /nfs/dbraw/zinc/39/17/60/1066391760.db2.gz HPOZRKDUYNUXJZ-JOCHJYFZSA-N 0 0 453.583 4.555 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H]4CCC[C@@H]43)n2CCNC(=O)C(C)(C)C)c1 ZINC001361128482 1066392179 /nfs/dbraw/zinc/39/21/79/1066392179.db2.gz XGUPAJDTKPNTHW-UNMCSNQZSA-N 0 0 467.658 4.830 20 0 JJADRN COc1ccccc1-c1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cs1 ZINC001443995290 1066392574 /nfs/dbraw/zinc/39/25/74/1066392574.db2.gz KXUUJUNMQIJEKY-SFHVURJKSA-N 0 0 453.564 4.815 20 0 JJADRN CC[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)c1nc(C(F)(F)F)cs1 ZINC001361128662 1066392583 /nfs/dbraw/zinc/39/25/83/1066392583.db2.gz BYQPOMABWFEZRU-VIFPVBQESA-N 0 0 450.273 4.931 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@@H](C(C)C)C2)n[nH]1 ZINC001361128569 1066392925 /nfs/dbraw/zinc/39/29/25/1066392925.db2.gz ZMODLQDIKUIIKF-OAQYLSRUSA-N 0 0 465.646 4.831 20 0 JJADRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001455462093 1066393180 /nfs/dbraw/zinc/39/31/80/1066393180.db2.gz FIZSJQUZYZVARP-UWJYYQICSA-N 0 0 457.640 4.888 20 0 JJADRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001455462090 1066393415 /nfs/dbraw/zinc/39/34/15/1066393415.db2.gz FIZSJQUZYZVARP-UTKZUKDTSA-N 0 0 457.640 4.888 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](C[S@](C)=O)c3ccccc3)cc12 ZINC001444006389 1066393809 /nfs/dbraw/zinc/39/38/09/1066393809.db2.gz YOUQFHRFLOQXLW-ADSBAMQRSA-N 0 0 458.008 4.898 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCC(C)C)c1 ZINC001361129844 1066393932 /nfs/dbraw/zinc/39/39/32/1066393932.db2.gz FNKUQDWREBIOLN-RLWLMLJZSA-N 0 0 456.631 4.719 20 0 JJADRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@H](C[S@](C)=O)c3ccccc3)cc12 ZINC001444006400 1066394052 /nfs/dbraw/zinc/39/40/52/1066394052.db2.gz YOUQFHRFLOQXLW-QTEAWJPNSA-N 0 0 458.008 4.898 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCSC2)c1 ZINC001361130058 1066394499 /nfs/dbraw/zinc/39/44/99/1066394499.db2.gz HUPGYNYVIHQHFT-NZQKXSOJSA-N 0 0 458.672 4.903 20 0 JJADRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC001455464510 1066394456 /nfs/dbraw/zinc/39/44/56/1066394456.db2.gz KOGOGLAUTPDVBE-QHCPKHFHSA-N 0 0 451.542 4.717 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2CCCC(C)C)c1 ZINC001361130092 1066394988 /nfs/dbraw/zinc/39/49/88/1066394988.db2.gz IVMFXBDMDIFLTQ-SANMLTNESA-N 0 0 469.630 4.756 20 0 JJADRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC001444018838 1066394976 /nfs/dbraw/zinc/39/49/76/1066394976.db2.gz VGVVNDQQGOMIGY-UHFFFAOYSA-N 0 0 451.567 4.834 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CC(C)(C)C(C)C)c1 ZINC001361130215 1066395222 /nfs/dbraw/zinc/39/52/22/1066395222.db2.gz KJZQHQXIPJTMOR-MHZLTWQESA-N 0 0 470.658 4.967 20 0 JJADRN O=C(NCc1ccccc1COc1ccccc1Cl)c1nc(N2CCCC2)ncc1Cl ZINC001444022153 1066395285 /nfs/dbraw/zinc/39/52/85/1066395285.db2.gz MZOGTZYNCSCSQA-UHFFFAOYSA-N 0 0 457.361 4.893 20 0 JJADRN CONC(=O)C1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 ZINC001455473488 1066395456 /nfs/dbraw/zinc/39/54/56/1066395456.db2.gz PMXGJFQGBJNMNI-UHFFFAOYSA-N 0 0 453.391 4.816 20 0 JJADRN C[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 ZINC001455477974 1066395828 /nfs/dbraw/zinc/39/58/28/1066395828.db2.gz ADYLLMJOYCWWLX-LLVKDONJSA-N 0 0 456.877 4.663 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001455474246 1066395885 /nfs/dbraw/zinc/39/58/85/1066395885.db2.gz RPXAYEARGLGCKI-PEBXRYMYSA-N 0 0 450.988 4.795 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2[C@@H]2C[C@H]2CF)c1 ZINC001361130505 1066396174 /nfs/dbraw/zinc/39/61/74/1066396174.db2.gz OVOBKOCPRCGQLS-KVSKMBFKSA-N 0 0 456.484 4.587 20 0 JJADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCCC[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001444031928 1066396202 /nfs/dbraw/zinc/39/62/02/1066396202.db2.gz LSKWCRPZJZJYEI-OFVILXPXSA-N 0 0 453.970 4.559 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2[C@@H]2C[C@H]2CF)c1 ZINC001361130506 1066396310 /nfs/dbraw/zinc/39/63/10/1066396310.db2.gz OVOBKOCPRCGQLS-WDYCEAGBSA-N 0 0 456.484 4.587 20 0 JJADRN CCCc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC001444035666 1066396630 /nfs/dbraw/zinc/39/66/30/1066396630.db2.gz SATZSPSKPGUTLK-OAQYLSRUSA-N 0 0 458.505 4.515 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC(F)(F)F)c1 ZINC001361130932 1066396738 /nfs/dbraw/zinc/39/67/38/1066396738.db2.gz SNDIMHCHVAAAQY-GOSISDBHSA-N 0 0 481.563 4.544 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2CCCCO2)c1 ZINC001361130915 1066396873 /nfs/dbraw/zinc/39/68/73/1066396873.db2.gz SCOUSCCBBWNJLV-NHCUHLMSSA-N 0 0 456.631 4.862 20 0 JJADRN CCOc1ccc(N(C)C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C)c2C)c3=O)cc1 ZINC001455484531 1066397044 /nfs/dbraw/zinc/39/70/44/1066397044.db2.gz FJFCPSWYDWSZIE-UHFFFAOYSA-N 0 0 459.571 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2Cc2ccncc2Cl)c1 ZINC001361131030 1066397126 /nfs/dbraw/zinc/39/71/26/1066397126.db2.gz VWVUCAYJIFFBDV-SFHVURJKSA-N 0 0 455.990 4.611 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC4(CCCC4)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001361130967 1066397257 /nfs/dbraw/zinc/39/72/57/1066397257.db2.gz UBLVERCECGAOSC-UHFFFAOYSA-N 0 0 497.684 4.601 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC001455492090 1066397212 /nfs/dbraw/zinc/39/72/12/1066397212.db2.gz DYBUEHYQFOWWEX-QFIPXVFZSA-N 0 0 452.599 4.621 20 0 JJADRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001455487033 1066397235 /nfs/dbraw/zinc/39/72/35/1066397235.db2.gz AFDNFVONLNRMJF-SGJUXQJHSA-N 0 0 459.167 4.690 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC(F)(F)F)c3c2)c2ccccn2)cc1 ZINC001444056111 1066397662 /nfs/dbraw/zinc/39/76/62/1066397662.db2.gz LNMICCPAXZCXPK-FQEVSTJZSA-N 0 0 454.452 4.721 20 0 JJADRN CC[C@@H](NC(=O)C(=O)c1cccn1C)c1ccccc1OCc1ccccc1Br ZINC001444057489 1066397858 /nfs/dbraw/zinc/39/78/58/1066397858.db2.gz CBYWKBHPLKFFQV-LJQANCHMSA-N 0 0 455.352 4.817 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H]2C[C@@H]2C)c1 ZINC001361131073 1066397922 /nfs/dbraw/zinc/39/79/22/1066397922.db2.gz XQTCMULMZFLRSX-RBUKOAKNSA-N 0 0 497.581 4.967 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNC(=O)C2CCC2)c1 ZINC001361131103 1066397947 /nfs/dbraw/zinc/39/79/47/1066397947.db2.gz YGWLGBWLGKYFHZ-NRFANRHFSA-N 0 0 497.684 4.599 20 0 JJADRN Cc1ccc(C[C@H](NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c2ccccn2)cc1 ZINC001444054155 1066397969 /nfs/dbraw/zinc/39/79/69/1066397969.db2.gz GBUBGJHCOXSOFX-QHCPKHFHSA-N 0 0 458.587 4.762 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNC(=O)C2CCC2)c1 ZINC001361131104 1066398031 /nfs/dbraw/zinc/39/80/31/1066398031.db2.gz YGWLGBWLGKYFHZ-OAQYLSRUSA-N 0 0 497.684 4.599 20 0 JJADRN CC[C@@H](NC(=O)CCCn1cncn1)c1ccccc1OCc1ccccc1Br ZINC001444058688 1066398341 /nfs/dbraw/zinc/39/83/41/1066398341.db2.gz DXHCAGYLRFTHJY-HXUWFJFHSA-N 0 0 457.372 4.667 20 0 JJADRN CC[C@H](NC(=O)CCCn1cncn1)c1ccccc1OCc1ccccc1Br ZINC001444058681 1066398569 /nfs/dbraw/zinc/39/85/69/1066398569.db2.gz DXHCAGYLRFTHJY-FQEVSTJZSA-N 0 0 457.372 4.667 20 0 JJADRN Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001455501909 1066398802 /nfs/dbraw/zinc/39/88/02/1066398802.db2.gz PLJBHUPXPJYCOL-ULQDDVLXSA-N 0 0 453.674 4.646 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC001444072922 1066399318 /nfs/dbraw/zinc/39/93/18/1066399318.db2.gz XQESTGAAHAHSGT-WJOKGBTCSA-N 0 0 456.637 4.608 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)F)C2)cc1 ZINC001361131510 1066399523 /nfs/dbraw/zinc/39/95/23/1066399523.db2.gz JURGTCBDCUSETK-MJGOQNOKSA-N 0 0 454.525 4.519 20 0 JJADRN Cc1c(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)cnn1C ZINC001361131474 1066399546 /nfs/dbraw/zinc/39/95/46/1066399546.db2.gz IZFWPIJQIBFFEI-ICSRJNTNSA-N 0 0 468.671 4.709 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCCO2)C1 ZINC001546073303 1066399758 /nfs/dbraw/zinc/39/97/58/1066399758.db2.gz QYBBCCAQGARLHT-NLFFAJNJSA-N 0 0 461.651 4.588 20 0 JJADRN CC[C@H](NC(=O)c1cnc(C)nc1N)c1ccccc1OCc1ccccc1Br ZINC001444073109 1066400120 /nfs/dbraw/zinc/40/01/20/1066400120.db2.gz SJRPBNNTCLVOOH-IBGZPJMESA-N 0 0 455.356 4.590 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ccc3ccc(O)cc3c2O)c2ccc(OC)cc2OC)cc1 ZINC001444081233 1066400886 /nfs/dbraw/zinc/40/08/86/1066400886.db2.gz KVKALJBDLWJYFZ-VWLOTQADSA-N 0 0 459.498 4.796 20 0 JJADRN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCCc1nc2ccccc2n1C ZINC001444082101 1066401489 /nfs/dbraw/zinc/40/14/89/1066401489.db2.gz OHLCUYYWZCICQD-UHFFFAOYSA-N 0 0 453.340 4.526 20 0 JJADRN Cc1ccc(C(C)C)c(OCc2nnc(Nc3cnn(C)c3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001361132472 1066402219 /nfs/dbraw/zinc/40/22/19/1066402219.db2.gz ZCCHMYTVMJTDBO-UXHICEINSA-N 0 0 452.603 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3OCc3ccc(F)cc3)C[C@]2(C)C1 ZINC001455516415 1066403215 /nfs/dbraw/zinc/40/32/15/1066403215.db2.gz MZNGUQVJJCTFHQ-AFMDSPMNSA-N 0 0 454.542 4.734 20 0 JJADRN CCc1c(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC001444086163 1066403413 /nfs/dbraw/zinc/40/34/13/1066403413.db2.gz AYSIZVGHKXLIOT-OAHLLOKOSA-N 0 0 459.019 4.569 20 0 JJADRN Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)c2cccc(C)c2Cl)c2ccccc2)c(C)c1 ZINC001444087088 1066403505 /nfs/dbraw/zinc/40/35/05/1066403505.db2.gz QSNMXRBAQZNFKZ-OAQYLSRUSA-N 0 0 456.995 4.715 20 0 JJADRN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001361133136 1066403726 /nfs/dbraw/zinc/40/37/26/1066403726.db2.gz IGHFVCCRIYYUPM-QGZVFWFLSA-N 0 0 457.571 4.885 20 0 JJADRN C[C@@H](CC(N)=O)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001455524067 1066403823 /nfs/dbraw/zinc/40/38/23/1066403823.db2.gz YHEZPLRJZHATEC-NSHDSACASA-N 0 0 457.727 4.504 20 0 JJADRN CC(C)(C)c1ccc(OCC(=O)NCCCN2C(=O)COc3ccccc32)c(C(C)(C)C)c1 ZINC001361132988 1066403757 /nfs/dbraw/zinc/40/37/57/1066403757.db2.gz YDXZGRMOUPLJBK-UHFFFAOYSA-N 0 0 452.595 4.592 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC001361133916 1066404595 /nfs/dbraw/zinc/40/45/95/1066404595.db2.gz DCZVUUVKOBWJFH-QFIPXVFZSA-N 0 0 451.659 4.818 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001361134055 1066404909 /nfs/dbraw/zinc/40/49/09/1066404909.db2.gz GGTKHMVQSQAKFQ-NFBKMPQASA-N 0 0 454.640 4.673 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COC)C1)NC(=O)OC(C)(C)C ZINC001545964374 1066404785 /nfs/dbraw/zinc/40/47/85/1066404785.db2.gz CQACMKFNAGKWIJ-SJLPKXTDSA-N 0 0 496.027 4.904 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)cc1 ZINC001444093603 1066404832 /nfs/dbraw/zinc/40/48/32/1066404832.db2.gz OHZLXSHGBRRTPO-SFHVURJKSA-N 0 0 451.596 4.920 20 0 JJADRN COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001455531711 1066404930 /nfs/dbraw/zinc/40/49/30/1066404930.db2.gz MUQNZEOKOXLWEJ-QVKFZJNVSA-N 0 0 458.605 4.613 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)c3nc4ccccc4cc3Br)CCC[C@@H]12 ZINC001455532235 1066405029 /nfs/dbraw/zinc/40/50/29/1066405029.db2.gz KACUKRVFPIAUGP-WZONZLPQSA-N 0 0 474.399 4.907 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H]2CCOC2)cc1 ZINC001361134257 1066405534 /nfs/dbraw/zinc/40/55/34/1066405534.db2.gz HXICZSPIAAKOJF-OFNKIYASSA-N 0 0 483.657 4.730 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC001444096248 1066405611 /nfs/dbraw/zinc/40/56/11/1066405611.db2.gz CMIHSNCPJLAOHJ-DRKIFQHWSA-N 0 0 458.571 4.755 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)CCC[C@@H]12 ZINC001455532531 1066405685 /nfs/dbraw/zinc/40/56/85/1066405685.db2.gz MPYAVRXLPDZKLV-CJFMBICVSA-N 0 0 471.529 4.581 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)c2ccc(C)cc2)cs1 ZINC001361134555 1066406219 /nfs/dbraw/zinc/40/62/19/1066406219.db2.gz LGNRGUBIHOSPFX-PGRDOPGGSA-N 0 0 453.656 4.997 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC001361134456 1066406264 /nfs/dbraw/zinc/40/62/64/1066406264.db2.gz JVOQZIZVDSCRGJ-NZQKXSOJSA-N 0 0 465.667 4.784 20 0 JJADRN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001444097438 1066406293 /nfs/dbraw/zinc/40/62/93/1066406293.db2.gz HAUVAYOORWKZDA-JPZYQRIQSA-N 0 0 459.011 4.913 20 0 JJADRN Cc1noc(COc2ccc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC001444096874 1066406367 /nfs/dbraw/zinc/40/63/67/1066406367.db2.gz FZTOVTZKLHBLLL-XMMPIXPASA-N 0 0 459.502 4.598 20 0 JJADRN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1 ZINC001444097019 1066406448 /nfs/dbraw/zinc/40/64/48/1066406448.db2.gz ZHKGUIKCPXYARE-OAQYLSRUSA-N 0 0 450.608 4.660 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 ZINC001455534624 1066406808 /nfs/dbraw/zinc/40/68/08/1066406808.db2.gz GFPWKQYRQMRWRI-FQRUVTKNSA-N 0 0 473.614 4.872 20 0 JJADRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC001444101487 1066406636 /nfs/dbraw/zinc/40/66/36/1066406636.db2.gz PNJPZXRWENRKNT-UKPGIYTDSA-N 0 0 453.526 4.829 20 0 JJADRN Cc1ccc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001361134656 1066406651 /nfs/dbraw/zinc/40/66/51/1066406651.db2.gz LTODYOPRKSHNPC-TZIWHRDSSA-N 0 0 462.598 4.556 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361134594 1066406778 /nfs/dbraw/zinc/40/67/78/1066406778.db2.gz FLOQIVMCOLHMHY-KCZVDYSFSA-N 0 0 469.630 4.593 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3cnc4ccccc4c3)ccc2C)cc1 ZINC001455537868 1066407621 /nfs/dbraw/zinc/40/76/21/1066407621.db2.gz JVWXRFZSFSYOGP-UHFFFAOYSA-N 0 0 459.571 4.625 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)(c2ccccc2)CC1 ZINC001444115269 1066407720 /nfs/dbraw/zinc/40/77/20/1066407720.db2.gz KFHNCBOGDXEWFH-IFMALSPDSA-N 0 0 458.643 4.913 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)(c2ccccc2)CC1 ZINC001444115300 1066407847 /nfs/dbraw/zinc/40/78/47/1066407847.db2.gz KFHNCBOGDXEWFH-UNMCSNQZSA-N 0 0 458.643 4.913 20 0 JJADRN COc1cc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)ccc1OCc1ccccc1Cl ZINC001455543721 1066408800 /nfs/dbraw/zinc/40/88/00/1066408800.db2.gz LOAJUEXLWOALKR-KRWDZBQOSA-N 0 0 456.892 4.684 20 0 JJADRN CC[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H](O)c1ccccc1 ZINC001455547736 1066409318 /nfs/dbraw/zinc/40/93/18/1066409318.db2.gz QMEXRVLDSPYVJF-RTBURBONSA-N 0 0 455.908 4.599 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001444120156 1066409334 /nfs/dbraw/zinc/40/93/34/1066409334.db2.gz QCAZVXODIHHSHV-DWLFOUALSA-N 0 0 458.599 4.826 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C)Oc1cccc(F)c1 ZINC001545964517 1066409415 /nfs/dbraw/zinc/40/94/15/1066409415.db2.gz FZRGJZPHFAZHBS-HXUWFJFHSA-N 0 0 483.979 4.669 20 0 JJADRN COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1C ZINC001455548768 1066409343 /nfs/dbraw/zinc/40/93/43/1066409343.db2.gz RBBCUFJPJMTNML-IBGZPJMESA-N 0 0 452.576 4.912 20 0 JJADRN CCc1ccc2ccccc2c1CNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001455552495 1066409402 /nfs/dbraw/zinc/40/94/02/1066409402.db2.gz HNSGYCSGUYBADF-UHFFFAOYSA-N 0 0 451.998 4.730 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CNC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC001361136367 1066410223 /nfs/dbraw/zinc/41/02/23/1066410223.db2.gz PHJFRMATAJBTAA-UHFFFAOYSA-N 0 0 458.599 4.685 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(F)(F)F)CC2)cc1 ZINC001361136228 1066410342 /nfs/dbraw/zinc/41/03/42/1066410342.db2.gz WGFLVBPTTNTOCE-SFHVURJKSA-N 0 0 463.573 4.727 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccoc1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001444126519 1066410401 /nfs/dbraw/zinc/41/04/01/1066410401.db2.gz WVDLZVYMCYKXMT-CYBMUJFWSA-N 0 0 455.433 4.534 20 0 JJADRN CCc1nc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001455561393 1066410857 /nfs/dbraw/zinc/41/08/57/1066410857.db2.gz YPNXLGSSLPOVQP-LSDHHAIUSA-N 0 0 479.408 4.576 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC)NC(=O)OC(C)(C)C ZINC001545964571 1066410758 /nfs/dbraw/zinc/41/07/58/1066410758.db2.gz GVMJHTBUCOABQV-OAHLLOKOSA-N 0 0 484.414 4.996 20 0 JJADRN CCOC(=O)c1cc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cn1C ZINC001361136655 1066410951 /nfs/dbraw/zinc/41/09/51/1066410951.db2.gz VFMYOOGSLYKMLS-UHFFFAOYSA-N 0 0 450.882 4.825 20 0 JJADRN Cc1c(NC(=O)c2ccc(CN(C)C)o2)cc(I)cc1C(F)(F)F ZINC001455565540 1066410990 /nfs/dbraw/zinc/41/09/90/1066410990.db2.gz AKEKGOBFWHYVGN-UHFFFAOYSA-N 0 0 452.214 4.525 20 0 JJADRN Cc1ccc([C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCO[C@@H](C)C2)cc1 ZINC001361136833 1066411832 /nfs/dbraw/zinc/41/18/32/1066411832.db2.gz UXKVQSQZBRVDML-BAMDZGJYSA-N 0 0 483.657 4.776 20 0 JJADRN Cc1nc2ccccc2n1Cc1cc(NC(=O)CNC(=O)c2cccc(F)c2)ccc1Cl ZINC001444134123 1066411932 /nfs/dbraw/zinc/41/19/32/1066411932.db2.gz ABVCESHVPHKCEF-UHFFFAOYSA-N 0 0 450.901 4.554 20 0 JJADRN Cc1ccc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H]2CCCO2)cc1 ZINC001361137234 1066412171 /nfs/dbraw/zinc/41/21/71/1066412171.db2.gz ZEXOOLCECBZLBQ-XBYSBRQOSA-N 0 0 483.657 4.776 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)CCCOC1 ZINC001361137067 1066412220 /nfs/dbraw/zinc/41/22/20/1066412220.db2.gz ZWTGAFFAQBRKKN-SANMLTNESA-N 0 0 454.542 4.703 20 0 JJADRN Cc1c(NC(=O)c2ccc(Cl)nc2N)cc(I)cc1C(F)(F)F ZINC001455571174 1066412309 /nfs/dbraw/zinc/41/23/09/1066412309.db2.gz XBMGFJQGDHCPEP-UHFFFAOYSA-N 0 0 455.605 4.501 20 0 JJADRN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(CSC2CCCCC2)c1 ZINC001444137123 1066412367 /nfs/dbraw/zinc/41/23/67/1066412367.db2.gz MAVXNNHIVQMQMH-UHFFFAOYSA-N 0 0 451.592 4.957 20 0 JJADRN COCCNc1nc(CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cs1 ZINC001444135819 1066412384 /nfs/dbraw/zinc/41/23/84/1066412384.db2.gz LZBRREMUVMKGBF-UHFFFAOYSA-N 0 0 452.458 4.589 20 0 JJADRN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)c1cnn(CCO)c1 ZINC001455579604 1066412455 /nfs/dbraw/zinc/41/24/55/1066412455.db2.gz BBVKWVXDZGOPBX-UHFFFAOYSA-N 0 0 454.741 4.900 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@H]2CCc3cccc(OC)c32)cc1 ZINC001361137633 1066413016 /nfs/dbraw/zinc/41/30/16/1066413016.db2.gz FLHYSKOJZSYAJX-FQEVSTJZSA-N 0 0 451.544 4.950 20 0 JJADRN Cc1noc(-c2ccc(C(=O)NCCCCCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1 ZINC001455585353 1066413075 /nfs/dbraw/zinc/41/30/75/1066413075.db2.gz OGBXDJFQQBUMPT-UHFFFAOYSA-N 0 0 456.587 4.982 20 0 JJADRN Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)cnn1-c1cccc(Br)c1 ZINC001361138882 1066413718 /nfs/dbraw/zinc/41/37/18/1066413718.db2.gz SYLRZPNQOPIVLM-LJQANCHMSA-N 0 0 453.384 4.650 20 0 JJADRN Cc1ccc(Oc2cc(Cl)ccc2CN(C)C(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC001455587363 1066413972 /nfs/dbraw/zinc/41/39/72/1066413972.db2.gz XIOLZUCZHWFNRG-UHFFFAOYSA-N 0 0 458.967 4.669 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2(C)CCC3(CC2)OCCO3)cc1 ZINC001361139125 1066414446 /nfs/dbraw/zinc/41/44/46/1066414446.db2.gz XIUMZOQJSAULHH-UHFFFAOYSA-N 0 0 459.564 4.534 20 0 JJADRN Cc1[nH]nc(NC(=O)c2cc(Br)c(C)cc2Br)c1-c1cccnc1 ZINC001455609456 1066414835 /nfs/dbraw/zinc/41/48/35/1066414835.db2.gz WCTMUYLGCROHMS-UHFFFAOYSA-N 0 0 450.134 4.866 20 0 JJADRN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)N2CCOCC2)cc1 ZINC001361139495 1066415034 /nfs/dbraw/zinc/41/50/34/1066415034.db2.gz KQUMDADFJNYWMM-ZEQRLZLVSA-N 0 0 485.742 4.826 20 0 JJADRN Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)N2CCOCC2)cc1 ZINC001361139493 1066415078 /nfs/dbraw/zinc/41/50/78/1066415078.db2.gz KQUMDADFJNYWMM-DNQXCXABSA-N 0 0 485.742 4.826 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1)OC ZINC001545964973 1066416161 /nfs/dbraw/zinc/41/61/61/1066416161.db2.gz NIAMHEVNCRTPKF-SFTDATJTSA-N 0 0 455.990 4.604 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](CC)C1)Oc1ccccc1F ZINC001545965003 1066416168 /nfs/dbraw/zinc/41/61/68/1066416168.db2.gz OAKAQRXCODXLMO-NZSAHSFTSA-N 0 0 473.980 4.994 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001455620852 1066416486 /nfs/dbraw/zinc/41/64/86/1066416486.db2.gz ZQCAJHFGZCQYGJ-KRWDZBQOSA-N 0 0 457.502 4.770 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)s1 ZINC001361139878 1066416545 /nfs/dbraw/zinc/41/65/45/1066416545.db2.gz QXGPHHHWHHBESM-HSZRJFAPSA-N 0 0 482.698 4.650 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)c1cc2c(cc1Br)OCO2 ZINC001455623578 1066416703 /nfs/dbraw/zinc/41/67/03/1066416703.db2.gz RCAVAHDZNQQDCV-UHFFFAOYSA-N 0 0 453.264 4.916 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1nc(-c2ccccc2)c[nH]1)c1cccc(Cl)c1 ZINC001455621790 1066416713 /nfs/dbraw/zinc/41/67/13/1066416713.db2.gz WQCJGZCUEYZSDV-OAQYLSRUSA-N 0 0 454.958 4.655 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001546074440 1066417209 /nfs/dbraw/zinc/41/72/09/1066417209.db2.gz QSRSGAKCBJMOOD-YTQUADARSA-N 0 0 456.612 4.961 20 0 JJADRN Cc1cc(C(=O)N[C@@H](C(=O)C(C)C)c2ccccc2)c(I)cc1Cl ZINC001455630016 1066417225 /nfs/dbraw/zinc/41/72/25/1066417225.db2.gz OVHNSNFRKSRYMM-QGZVFWFLSA-N 0 0 455.723 4.949 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545965123 1066417997 /nfs/dbraw/zinc/41/79/97/1066417997.db2.gz QHGOXJQNBMJHKQ-ZBFHGGJFSA-N 0 0 484.428 4.780 20 0 JJADRN O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC001444147746 1066418014 /nfs/dbraw/zinc/41/80/14/1066418014.db2.gz NEWNYAUKYPJNDZ-UHFFFAOYSA-N 0 0 458.506 4.760 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545965100 1066418073 /nfs/dbraw/zinc/41/80/73/1066418073.db2.gz PXBYXQFRXBFYBN-OALUTQOASA-N 0 0 464.010 4.517 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC001455646453 1066419062 /nfs/dbraw/zinc/41/90/62/1066419062.db2.gz ABFHSRAIECORSL-ZIAGYGMSSA-N 0 0 450.377 4.553 20 0 JJADRN CC(C)Oc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)ccc1Br ZINC001444154874 1066419388 /nfs/dbraw/zinc/41/93/88/1066419388.db2.gz ZRYTYEYXJJQRND-UHFFFAOYSA-N 0 0 455.393 4.804 20 0 JJADRN C[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1nc(-c2cccc(F)c2)no1 ZINC001361140977 1066419469 /nfs/dbraw/zinc/41/94/69/1066419469.db2.gz HMGWLEWGMGOUJH-AWEZNQCLSA-N 0 0 452.486 4.617 20 0 JJADRN C[C@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001455648885 1066419627 /nfs/dbraw/zinc/41/96/27/1066419627.db2.gz NWZIBOYYELBISP-MXEMCNAFSA-N 0 0 481.678 4.669 20 0 JJADRN Cc1ccc([C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(C)(C)C)N2CCOCC2)o1 ZINC001361141023 1066420161 /nfs/dbraw/zinc/42/01/61/1066420161.db2.gz JYLPVQSSZDMOKD-QFIPXVFZSA-N 0 0 487.595 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3cc(C(F)(F)F)ccn3)C[C@@H]21 ZINC001546074733 1066420233 /nfs/dbraw/zinc/42/02/33/1066420233.db2.gz YWTZYQCEZJJILU-BHYGNILZSA-N 0 0 455.521 4.530 20 0 JJADRN CC1(C)Cc2cccc(C(=O)NCCSCCOc3cccc(Br)c3)c2O1 ZINC001444156043 1066420399 /nfs/dbraw/zinc/42/03/99/1066420399.db2.gz MKOBFBKZTFYOFZ-UHFFFAOYSA-N 0 0 450.398 4.705 20 0 JJADRN Cc1ccc([C@@H](Cn2c(N(CCC(C)C)C3CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001361141381 1066420899 /nfs/dbraw/zinc/42/08/99/1066420899.db2.gz MIBKFVFXKAGXHF-XMMPIXPASA-N 0 0 453.675 4.972 20 0 JJADRN Cc1ccc(Nc2scnc2C(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)cc1 ZINC001455670388 1066421866 /nfs/dbraw/zinc/42/18/66/1066421866.db2.gz VMGAXNWUISELLM-AWEZNQCLSA-N 0 0 458.385 4.767 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCOC(C)(C)C3)c2)cc1 ZINC001444162249 1066422528 /nfs/dbraw/zinc/42/25/28/1066422528.db2.gz ZRZSBFQDAYSMQS-UHFFFAOYSA-N 0 0 458.624 4.780 20 0 JJADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1cccc(CSCc2ccccc2)c1 ZINC001444161607 1066422735 /nfs/dbraw/zinc/42/27/35/1066422735.db2.gz YPABRDOSYVYONF-GIWBLDEGSA-N 0 0 455.649 4.784 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3c(C)cc(C)c(Br)c3C)n2)c1 ZINC001361142137 1066423423 /nfs/dbraw/zinc/42/34/23/1066423423.db2.gz YEURXVOEKIBURH-OAHLLOKOSA-N 0 0 458.356 4.853 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001444165100 1066423713 /nfs/dbraw/zinc/42/37/13/1066423713.db2.gz MYYBPYSIJQZRKO-LJQANCHMSA-N 0 0 450.457 4.671 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1 ZINC001455685461 1066424227 /nfs/dbraw/zinc/42/42/27/1066424227.db2.gz DALDZTIDCHUMSS-UHFFFAOYSA-N 0 0 450.583 4.766 20 0 JJADRN COC(=O)CCCOc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC001444165768 1066424244 /nfs/dbraw/zinc/42/42/44/1066424244.db2.gz ARGRZGSXWFJBIH-UHFFFAOYSA-N 0 0 455.514 4.559 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)C1 ZINC001361142914 1066424203 /nfs/dbraw/zinc/42/42/03/1066424203.db2.gz JDOVAWGLCSPESV-MJUUVYJYSA-N 0 0 450.645 4.618 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)C1 ZINC001444166994 1066424288 /nfs/dbraw/zinc/42/42/88/1066424288.db2.gz TUMFELPBBSTVNK-UHFFFAOYSA-N 0 0 454.954 4.873 20 0 JJADRN CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)c1ccccc1 ZINC001444169183 1066424630 /nfs/dbraw/zinc/42/46/30/1066424630.db2.gz MLANPPMTYMURAU-DEOSSOPVSA-N 0 0 450.608 4.617 20 0 JJADRN COc1ccc(CC(=O)NCc2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)cc2)cc1 ZINC001361143509 1066424731 /nfs/dbraw/zinc/42/47/31/1066424731.db2.gz UBMRHIJXQQSEBR-JIPXPUAJSA-N 0 0 456.586 4.820 20 0 JJADRN CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001361143403 1066424750 /nfs/dbraw/zinc/42/47/50/1066424750.db2.gz QUCBGURMLFSLMA-SJLPKXTDSA-N 0 0 453.530 4.823 20 0 JJADRN CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC001361143401 1066424843 /nfs/dbraw/zinc/42/48/43/1066424843.db2.gz QUCBGURMLFSLMA-AEFFLSMTSA-N 0 0 453.530 4.823 20 0 JJADRN CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC001455702699 1066424838 /nfs/dbraw/zinc/42/48/38/1066424838.db2.gz ZNZIUEJXDGFITD-NHCUHLMSSA-N 0 0 452.352 4.580 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N[C@H]1c2ccccc2OC[C@@H]1F)NC(=O)OC(C)(C)C ZINC001455705985 1066425003 /nfs/dbraw/zinc/42/50/03/1066425003.db2.gz HATNQXNEPDEIJR-YYDVJCTNSA-N 0 0 458.530 4.629 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC[C@@H]3CC(C)(C)CO3)ccc2C)c(C)c1 ZINC001455708767 1066425417 /nfs/dbraw/zinc/42/54/17/1066425417.db2.gz DOIVFKIORDLHCH-OAQYLSRUSA-N 0 0 458.624 4.656 20 0 JJADRN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1 ZINC001444172348 1066425491 /nfs/dbraw/zinc/42/54/91/1066425491.db2.gz QGRDZOUTHODVGZ-WOJBJXKFSA-N 0 0 458.628 4.653 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C3CCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001361144049 1066425678 /nfs/dbraw/zinc/42/56/78/1066425678.db2.gz BWIVDBLJTVEXDH-UHFFFAOYSA-N 0 0 469.630 4.862 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC001455714225 1066426023 /nfs/dbraw/zinc/42/60/23/1066426023.db2.gz BEIKHXLBATWSNK-XXBNENTESA-N 0 0 450.362 4.970 20 0 JJADRN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001455716205 1066426098 /nfs/dbraw/zinc/42/60/98/1066426098.db2.gz LDFAISUXJFSZSC-XMMPIXPASA-N 0 0 458.599 4.577 20 0 JJADRN O=C(Nc1c[nH]c2ccc(Br)cc12)c1cccc(F)c1I ZINC001455714600 1066426176 /nfs/dbraw/zinc/42/61/76/1066426176.db2.gz DRMFHGJQCZOKNY-UHFFFAOYSA-N 0 0 459.056 4.926 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455714551 1066426225 /nfs/dbraw/zinc/42/62/25/1066426225.db2.gz DMMQNWCFRIENHB-IBGZPJMESA-N 0 0 456.340 4.916 20 0 JJADRN CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001455714554 1066426261 /nfs/dbraw/zinc/42/62/61/1066426261.db2.gz DMMQNWCFRIENHB-LJQANCHMSA-N 0 0 456.340 4.916 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)CC2 ZINC001455717522 1066426767 /nfs/dbraw/zinc/42/67/67/1066426767.db2.gz UGAFTDHOPLLVQZ-LJTKGQTQSA-N 0 0 453.535 4.801 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2c[nH]c3ccc(Br)cc23)CC1 ZINC001455717959 1066426886 /nfs/dbraw/zinc/42/68/86/1066426886.db2.gz TZPWFAFGAZUOAL-UHFFFAOYSA-N 0 0 454.368 4.740 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)CCC1 ZINC001361144493 1066426912 /nfs/dbraw/zinc/42/69/12/1066426912.db2.gz NACBCRSIAMKQHG-UHFFFAOYSA-N 0 0 459.970 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC001444184663 1066427620 /nfs/dbraw/zinc/42/76/20/1066427620.db2.gz MTBSLNRAOUVDRY-SFHVURJKSA-N 0 0 454.527 4.817 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@]2(O)CCSC2)c1 ZINC001361145454 1066427856 /nfs/dbraw/zinc/42/78/56/1066427856.db2.gz YHRONZIQMCAELZ-MBSDFSHPSA-N 0 0 458.653 4.601 20 0 JJADRN CCC[C@H]1SCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC001444207278 1066429199 /nfs/dbraw/zinc/42/91/99/1066429199.db2.gz IFVDHOYLJOHMMY-LJQANCHMSA-N 0 0 456.992 4.904 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CCCCN3Cc3cccnc3)s2)cc1 ZINC001444212535 1066429973 /nfs/dbraw/zinc/42/99/73/1066429973.db2.gz FVRHZGHZCUHQLR-HTAPYJJXSA-N 0 0 450.608 4.754 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC001361145904 1066430305 /nfs/dbraw/zinc/43/03/05/1066430305.db2.gz MHZIPMQBKPHIIL-PMACEKPBSA-N 0 0 495.590 4.803 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)s2)cc1 ZINC001444212960 1066430877 /nfs/dbraw/zinc/43/08/77/1066430877.db2.gz GSVMSQLZPQFABW-CSMYWGQOSA-N 0 0 481.565 4.710 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H]2CCCCO2)c1 ZINC001361145971 1066430945 /nfs/dbraw/zinc/43/09/45/1066430945.db2.gz NYYRDLHHIPGZGW-WOJBJXKFSA-N 0 0 455.628 4.739 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2CCCCO2)c1 ZINC001361145968 1066431085 /nfs/dbraw/zinc/43/10/85/1066431085.db2.gz NYYRDLHHIPGZGW-PMACEKPBSA-N 0 0 455.628 4.739 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001455790924 1066431588 /nfs/dbraw/zinc/43/15/88/1066431588.db2.gz FFEOYNWEKRRFII-UHFFFAOYSA-N 0 0 455.942 4.801 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cnn(-c2ccccc2)c1 ZINC001455789936 1066431726 /nfs/dbraw/zinc/43/17/26/1066431726.db2.gz BSNVBPKNIVWPNF-UHFFFAOYSA-N 0 0 454.958 4.693 20 0 JJADRN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(C)C)N2CCOCC2)s1 ZINC001361146071 1066431671 /nfs/dbraw/zinc/43/16/71/1066431671.db2.gz QRQKJQQBFJRCFB-XMMPIXPASA-N 0 0 497.709 4.837 20 0 JJADRN CC(C)(C)Oc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC001444219781 1066431795 /nfs/dbraw/zinc/43/17/95/1066431795.db2.gz PDKOCMJVPOMQPG-UHFFFAOYSA-N 0 0 451.386 4.937 20 0 JJADRN Cc1cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc(Cl)c1Br ZINC001455793963 1066432039 /nfs/dbraw/zinc/43/20/39/1066432039.db2.gz YEGQVSMMASMCAB-UHFFFAOYSA-N 0 0 450.760 4.995 20 0 JJADRN COc1ccc2c(c1)[C@@H](C(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)CC2 ZINC001455796319 1066432213 /nfs/dbraw/zinc/43/22/13/1066432213.db2.gz YNWPBINYDGWRHC-NRFANRHFSA-N 0 0 458.986 4.932 20 0 JJADRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc(Cc2ccccc2)ccc1O ZINC001444239014 1066432266 /nfs/dbraw/zinc/43/22/66/1066432266.db2.gz LFVICBXLGZYSFD-LJQANCHMSA-N 0 0 451.364 4.754 20 0 JJADRN C[C@H](CNC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)CN(C)C(=O)OC(C)(C)C ZINC001444242333 1066432364 /nfs/dbraw/zinc/43/23/64/1066432364.db2.gz QDORYPJBHXXTAB-QGZVFWFLSA-N 0 0 454.596 4.834 20 0 JJADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2SCC)cc1F ZINC001361146738 1066432427 /nfs/dbraw/zinc/43/24/27/1066432427.db2.gz NWAUOGCCZGVQIB-GFCCVEGCSA-N 0 0 452.935 4.525 20 0 JJADRN Cc1c(Br)ccc(F)c1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001361147079 1066432978 /nfs/dbraw/zinc/43/29/78/1066432978.db2.gz DGPZTXLPQBMLNA-UHFFFAOYSA-N 0 0 450.699 4.655 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H]2C[C@@H]2C)c1 ZINC001361148230 1066433859 /nfs/dbraw/zinc/43/38/59/1066433859.db2.gz DZFJINNQAOXUQV-IRXDYDNUSA-N 0 0 462.520 4.519 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1(C)C ZINC001455799072 1066433672 /nfs/dbraw/zinc/43/36/72/1066433672.db2.gz DCQZQMGNLCIAJZ-HXUWFJFHSA-N 0 0 452.599 4.652 20 0 JJADRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(Br)cc(Br)c1N ZINC001444246384 1066433909 /nfs/dbraw/zinc/43/39/09/1066433909.db2.gz HCDSCMWQHKCNRS-CMPLNLGQSA-N 0 0 456.153 4.951 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCc2nc(C(C)(C)C)cs2)c1 ZINC001361148316 1066434217 /nfs/dbraw/zinc/43/42/17/1066434217.db2.gz HHXPDKVAMUEYJH-UHFFFAOYSA-N 0 0 493.681 4.841 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)CSCC(=O)c2ccccc2)C1 ZINC001455808370 1066434455 /nfs/dbraw/zinc/43/44/55/1066434455.db2.gz NVBBILXIKTXHIP-IBGZPJMESA-N 0 0 453.604 4.930 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)(c2ccccc2)C1 ZINC001444250952 1066435209 /nfs/dbraw/zinc/43/52/09/1066435209.db2.gz YVJCSNPGVZKYKA-SZEHJLNQSA-N 0 0 452.570 4.842 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H]2CCCCS2)c1 ZINC001361148404 1066435374 /nfs/dbraw/zinc/43/53/74/1066435374.db2.gz JODNNNRRLRXMRA-SFHVURJKSA-N 0 0 475.062 4.783 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001361148666 1066435633 /nfs/dbraw/zinc/43/56/33/1066435633.db2.gz RPLQFFGCQXSAEB-UGKGYDQZSA-N 0 0 467.614 4.745 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCCc2cccc(C)n2)c1 ZINC001361148657 1066435820 /nfs/dbraw/zinc/43/58/20/1066435820.db2.gz RIZHVHNZSNINNH-HSZRJFAPSA-N 0 0 463.626 4.673 20 0 JJADRN COc1ccc(C(=O)C(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)cc1Cl ZINC001455811441 1066435750 /nfs/dbraw/zinc/43/57/50/1066435750.db2.gz YGOZKTIZUHLMFD-INIZCTEOSA-N 0 0 457.954 4.859 20 0 JJADRN CCOC(=O)[C@]1(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CCc2ccccc21 ZINC001444252350 1066435745 /nfs/dbraw/zinc/43/57/45/1066435745.db2.gz JCUNWMFBXKXOBA-QHCPKHFHSA-N 0 0 457.452 4.539 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[C@H]2CCCCO2)c1 ZINC001361148721 1066436780 /nfs/dbraw/zinc/43/67/80/1066436780.db2.gz ULFNOUNCPSCOID-PKTZIBPZSA-N 0 0 456.631 4.829 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ncnn3CC(F)F)n2CC2CCCCC2)c1 ZINC001361148846 1066437310 /nfs/dbraw/zinc/43/73/10/1066437310.db2.gz ZETAYOYPPWXNTR-UHFFFAOYSA-N 0 0 473.572 4.547 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001455818605 1066437485 /nfs/dbraw/zinc/43/74/85/1066437485.db2.gz ZHCOMZYGCIHKFD-MRXNPFEDSA-N 0 0 452.477 4.533 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001444258993 1066437626 /nfs/dbraw/zinc/43/76/26/1066437626.db2.gz GCANIVKCQMPDDO-UHFFFAOYSA-N 0 0 450.461 4.787 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001455818526 1066437663 /nfs/dbraw/zinc/43/76/63/1066437663.db2.gz XTYKASPGIALQED-OAHLLOKOSA-N 0 0 451.361 4.941 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CC23CCOCC3)c1 ZINC001361148966 1066438230 /nfs/dbraw/zinc/43/82/30/1066438230.db2.gz CXMPWKFOTVVBOX-OAQYLSRUSA-N 0 0 456.631 4.542 20 0 JJADRN CC[C@](C)(NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)c1nc(C)cs1 ZINC001444264769 1066438500 /nfs/dbraw/zinc/43/85/00/1066438500.db2.gz NPBYKOKEHKRZCO-ZRQRYBTBSA-N 0 0 453.674 4.762 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)F)n2Cc2cccc(Br)n2)c1 ZINC001361149045 1066438766 /nfs/dbraw/zinc/43/87/66/1066438766.db2.gz GHHYBFRMOYUPQV-UHFFFAOYSA-N 0 0 480.357 4.771 20 0 JJADRN CC(C)(C)OC(=O)C1CCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001444265459 1066439010 /nfs/dbraw/zinc/43/90/10/1066439010.db2.gz NTMVNVSVLFOSDN-UHFFFAOYSA-N 0 0 455.395 4.683 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N(C)CCCc3ccccn3)n2C[C@@H]2OCCC2(C)C)c1 ZINC001361149327 1066439442 /nfs/dbraw/zinc/43/94/42/1066439442.db2.gz QXRIHPMQUPLRDB-DEOSSOPVSA-N 0 0 463.626 4.753 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)ccn1 ZINC001455831053 1066439595 /nfs/dbraw/zinc/43/95/95/1066439595.db2.gz IMGPCYSZCCQTQH-FUHWJXTLSA-N 0 0 469.538 4.683 20 0 JJADRN COc1cccc([C@@H](NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)c2ccccc2Cl)c1 ZINC001444268635 1066439639 /nfs/dbraw/zinc/43/96/39/1066439639.db2.gz ZHNGMMGPNDGYKY-FYYLOGMGSA-N 0 0 452.913 4.746 20 0 JJADRN CCCCCn1nc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c2ccccc2c1=O ZINC001444268186 1066439721 /nfs/dbraw/zinc/43/97/21/1066439721.db2.gz DYAIBLDEDAHUDZ-FQEVSTJZSA-N 0 0 457.578 4.880 20 0 JJADRN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001455830124 1066439716 /nfs/dbraw/zinc/43/97/16/1066439716.db2.gz OGHXSSPDFOSVHJ-OYHNWAKOSA-N 0 0 454.571 4.987 20 0 JJADRN Cc1ncc(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CCC2CCOCC2)s1 ZINC001361149725 1066440032 /nfs/dbraw/zinc/44/00/32/1066440032.db2.gz ZCDPOWMDXAYXED-UHFFFAOYSA-N 0 0 455.628 4.540 20 0 JJADRN Cc1cccc(O[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC001444270596 1066440427 /nfs/dbraw/zinc/44/04/27/1066440427.db2.gz ZVBAEEFQEQZLAL-KRWDZBQOSA-N 0 0 458.967 4.647 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC001455834063 1066440357 /nfs/dbraw/zinc/44/03/57/1066440357.db2.gz IOUIOLGEOAZNFE-IBGZPJMESA-N 0 0 450.535 4.719 20 0 JJADRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC001455838631 1066440432 /nfs/dbraw/zinc/44/04/32/1066440432.db2.gz UVNLZIBGJLEUNL-NRFANRHFSA-N 0 0 458.436 4.685 20 0 JJADRN COc1cccc(-n2c3ccccc3nc2NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001444268769 1066440447 /nfs/dbraw/zinc/44/04/47/1066440447.db2.gz OBSWGSXZFGUSAJ-MRXNPFEDSA-N 0 0 450.539 4.761 20 0 JJADRN CCOc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)ccc1OCC(=O)OC ZINC001361150126 1066440761 /nfs/dbraw/zinc/44/07/61/1066440761.db2.gz UXPGQXJYKGLMJN-UHFFFAOYSA-N 0 0 456.882 4.730 20 0 JJADRN Cn1c2ccc(F)cc2nc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001361150398 1066440814 /nfs/dbraw/zinc/44/08/14/1066440814.db2.gz DQTRWCMQYPLPDF-IBGZPJMESA-N 0 0 450.901 4.866 20 0 JJADRN COCCN(C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)c1ccc(OC)c(OC)c1 ZINC001444270934 1066441107 /nfs/dbraw/zinc/44/11/07/1066441107.db2.gz CMPLLNPNJIOLAW-UHFFFAOYSA-N 0 0 450.535 4.588 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CCSC)NC(=O)OC(C)(C)C ZINC001545966520 1066441287 /nfs/dbraw/zinc/44/12/87/1066441287.db2.gz GBCKAULPZXJIOH-SJLPKXTDSA-N 0 0 491.658 4.555 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCCc2nccs2)c1 ZINC001361151033 1066441229 /nfs/dbraw/zinc/44/12/29/1066441229.db2.gz AEBYEWPZJWBZKH-RTBURBONSA-N 0 0 457.669 4.893 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCOc2ncccc2Cl)c1 ZINC001361151072 1066441289 /nfs/dbraw/zinc/44/12/89/1066441289.db2.gz BEFUASMZQOFZDA-LJQANCHMSA-N 0 0 486.016 4.605 20 0 JJADRN COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC001455853119 1066441962 /nfs/dbraw/zinc/44/19/62/1066441962.db2.gz SJOBSZLWNBXBEY-UVFQYZLESA-N 0 0 457.368 4.876 20 0 JJADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001361151247 1066442019 /nfs/dbraw/zinc/44/20/19/1066442019.db2.gz FUZSQBOVTRWQIK-OALUTQOASA-N 0 0 467.614 4.886 20 0 JJADRN CC[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545966559 1066442113 /nfs/dbraw/zinc/44/21/13/1066442113.db2.gz GQPDTXUENNGKGH-QGZVFWFLSA-N 0 0 456.388 4.797 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545966558 1066442155 /nfs/dbraw/zinc/44/21/55/1066442155.db2.gz GQPDTXUENNGKGH-KRWDZBQOSA-N 0 0 456.388 4.797 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(CCc2ccccc2)CC1 ZINC001455856416 1066442192 /nfs/dbraw/zinc/44/21/92/1066442192.db2.gz ZVQYYLVBRJDLDL-FQEVSTJZSA-N 0 0 455.396 4.673 20 0 JJADRN O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001444280890 1066442609 /nfs/dbraw/zinc/44/26/09/1066442609.db2.gz NWDOMMAIIFWNAJ-KRWDZBQOSA-N 0 0 454.452 4.831 20 0 JJADRN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1cscc1Cl ZINC001455859219 1066442668 /nfs/dbraw/zinc/44/26/68/1066442668.db2.gz FFHCLESNTCMIDX-HNNXBMFYSA-N 0 0 451.828 4.876 20 0 JJADRN COc1cc2c(cc1O)CCN(C(=O)c1csc(-c3ccc(Br)s3)n1)C2 ZINC001455859152 1066442796 /nfs/dbraw/zinc/44/27/96/1066442796.db2.gz LWUVYXRMTUUTKH-UHFFFAOYSA-N 0 0 451.367 4.547 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001361151490 1066443226 /nfs/dbraw/zinc/44/32/26/1066443226.db2.gz BMBJASUFJJSXOG-QUCCMNQESA-N 0 0 479.591 4.983 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCSC2)c1 ZINC001361151534 1066443337 /nfs/dbraw/zinc/44/33/37/1066443337.db2.gz JKTQJAATZGYTQA-KRWDZBQOSA-N 0 0 452.546 4.926 20 0 JJADRN CC(C)n1cccc1C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 ZINC001455868491 1066443370 /nfs/dbraw/zinc/44/33/70/1066443370.db2.gz RWKFKQLJFAZTGP-UHFFFAOYSA-N 0 0 456.340 4.762 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)CC(C)C ZINC001444286771 1066443535 /nfs/dbraw/zinc/44/35/35/1066443535.db2.gz RXVPWKDHAJLZKC-HNNXBMFYSA-N 0 0 452.320 4.946 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)(c2ccccc2)C1 ZINC001455871056 1066443955 /nfs/dbraw/zinc/44/39/55/1066443955.db2.gz LJXDXUWWERBXGQ-TZYHBYERSA-N 0 0 452.517 4.756 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc(CCc2ccccc2)ccc1O ZINC001444290347 1066444057 /nfs/dbraw/zinc/44/40/57/1066444057.db2.gz PIQWADFIQTVIAF-UHFFFAOYSA-N 0 0 451.526 4.755 20 0 JJADRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001444294590 1066444713 /nfs/dbraw/zinc/44/47/13/1066444713.db2.gz JGWNZPYTWCWIDM-UHFFFAOYSA-N 0 0 454.317 4.865 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1)OC ZINC001545966611 1066444811 /nfs/dbraw/zinc/44/48/11/1066444811.db2.gz HLQBGWSSYQUMTL-UZKOGDIHSA-N 0 0 487.645 4.508 20 0 JJADRN CCC1N=NC(=S)N1CCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C ZINC001444295201 1066444867 /nfs/dbraw/zinc/44/48/67/1066444867.db2.gz WGXCTEUJGHJCJO-UHFFFAOYSA-N 0 0 454.383 4.644 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545966663 1066445453 /nfs/dbraw/zinc/44/54/53/1066445453.db2.gz IHQLGOYOJKWOGB-LJQANCHMSA-N 0 0 486.016 4.777 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)N4CCCC4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361152374 1066445916 /nfs/dbraw/zinc/44/59/16/1066445916.db2.gz LDNISPBFSBTAJZ-UHFFFAOYSA-N 0 0 481.685 4.995 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC2(O)CCCCC2)c1 ZINC001361152466 1066446481 /nfs/dbraw/zinc/44/64/81/1066446481.db2.gz UBHDDBOVGCEGAN-UHFFFAOYSA-N 0 0 456.631 4.563 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[C@H]2CCCCO2)c1 ZINC001361152408 1066446524 /nfs/dbraw/zinc/44/65/24/1066446524.db2.gz SUQDRVLRUUSSDS-FCHUYYIVSA-N 0 0 456.631 4.827 20 0 JJADRN O=C(/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001444315850 1066446719 /nfs/dbraw/zinc/44/67/19/1066446719.db2.gz BFCLIGIJSUVXBZ-VCHYOVAHSA-N 0 0 458.814 4.679 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H]2CC[C@H](F)C2)c1 ZINC001361152878 1066447252 /nfs/dbraw/zinc/44/72/52/1066447252.db2.gz XUFOAUOWKMSWIC-DMUMMCEESA-N 0 0 470.511 4.768 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(Br)c(Br)[nH]1 ZINC001444316932 1066447430 /nfs/dbraw/zinc/44/74/30/1066447430.db2.gz DGOZZODTTFSJDW-ISVAXAHUSA-N 0 0 450.558 4.699 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001361152971 1066447805 /nfs/dbraw/zinc/44/78/05/1066447805.db2.gz YHQOHDDSVBKFEN-HXUWFJFHSA-N 0 0 455.647 4.509 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)c1 ZINC001361153123 1066448584 /nfs/dbraw/zinc/44/85/84/1066448584.db2.gz VGBDURBURWMAET-FIXSFTCYSA-N 0 0 499.675 4.989 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)c1 ZINC001361153265 1066448632 /nfs/dbraw/zinc/44/86/32/1066448632.db2.gz WVTJASJJYYPADQ-NZQKXSOJSA-N 0 0 467.658 4.605 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CC3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC001546077487 1066449924 /nfs/dbraw/zinc/44/99/24/1066449924.db2.gz PNNZSPKPGGRUDD-JOCHJYFZSA-N 0 0 455.594 4.797 20 0 JJADRN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)O2)[C@H]1C ZINC001455912916 1066450060 /nfs/dbraw/zinc/45/00/60/1066450060.db2.gz CKZZPLBQJGJPKL-FNHFSTKRSA-N 0 0 450.366 4.834 20 0 JJADRN O=C(N[C@@H](CO)CCc1ccccc1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001455910874 1066450145 /nfs/dbraw/zinc/45/01/45/1066450145.db2.gz TYXOHURQKCJVRA-FYYLOGMGSA-N 0 0 454.364 4.679 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(C)o1)NC(=O)OC(C)(C)C ZINC001545966782 1066450362 /nfs/dbraw/zinc/45/03/62/1066450362.db2.gz KLKCAVDKWSQAJW-IBGZPJMESA-N 0 0 497.596 4.557 20 0 JJADRN CC(C)n1ccc(CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)n1 ZINC001444333707 1066450402 /nfs/dbraw/zinc/45/04/02/1066450402.db2.gz WRTDOYBRNBBUBZ-UHFFFAOYSA-N 0 0 450.340 4.767 20 0 JJADRN O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(Cn2cncn2)cc1 ZINC001361153935 1066450451 /nfs/dbraw/zinc/45/04/51/1066450451.db2.gz WDVZYFCSOBDRDX-INIZCTEOSA-N 0 0 458.209 4.688 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC001444333901 1066450489 /nfs/dbraw/zinc/45/04/89/1066450489.db2.gz XHNASVOBYXNJIH-UHFFFAOYSA-N 0 0 454.979 4.546 20 0 JJADRN COc1cc(Br)c(N)c(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)c1 ZINC001444335185 1066451231 /nfs/dbraw/zinc/45/12/31/1066451231.db2.gz CCFOPWXWGHQQGJ-NRFANRHFSA-N 0 0 455.352 4.728 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@@]3(C)CCOC4(CCC4)C3)c2)c1 ZINC001455922561 1066451505 /nfs/dbraw/zinc/45/15/05/1066451505.db2.gz UZVUWTYKCADVBL-DEOSSOPVSA-N 0 0 456.608 4.573 20 0 JJADRN CCc1ccc(CN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)s1 ZINC001444342289 1066451531 /nfs/dbraw/zinc/45/15/31/1066451531.db2.gz DDSOJPUHCQLPPJ-QFIPXVFZSA-N 0 0 457.640 4.529 20 0 JJADRN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001444340550 1066451592 /nfs/dbraw/zinc/45/15/92/1066451592.db2.gz ALLCOFHAVIESKG-XIKOKIGWSA-N 0 0 455.477 4.623 20 0 JJADRN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1 ZINC001455921172 1066451584 /nfs/dbraw/zinc/45/15/84/1066451584.db2.gz RSOULSDHVPXAGA-MVLNVAABSA-N 0 0 456.608 4.826 20 0 JJADRN CC(C)(C)OC(=O)N(CCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)C1CC1 ZINC001455922639 1066451641 /nfs/dbraw/zinc/45/16/41/1066451641.db2.gz RKOAIPDSOITCAW-UHFFFAOYSA-N 0 0 457.796 4.650 20 0 JJADRN O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1c(Br)nc2n1CCCC2 ZINC001444343212 1066451670 /nfs/dbraw/zinc/45/16/70/1066451670.db2.gz SCHGMLRNUWHCBC-IBGZPJMESA-N 0 0 454.368 4.670 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)c1 ZINC001361155053 1066452439 /nfs/dbraw/zinc/45/24/39/1066452439.db2.gz JXZQVCXMGLMQFK-VQTJNVASSA-N 0 0 469.630 4.623 20 0 JJADRN C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1cc(Br)ncc1Br ZINC001455927378 1066452480 /nfs/dbraw/zinc/45/24/80/1066452480.db2.gz WOVGKEVOBRVUTL-KRWDZBQOSA-N 0 0 456.203 4.755 20 0 JJADRN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC001444346068 1066452591 /nfs/dbraw/zinc/45/25/91/1066452591.db2.gz JMKWQPRRMLVAHN-UHFFFAOYSA-N 0 0 458.484 4.797 20 0 JJADRN CC[C@@H]1CCC[C@H](NC(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)C1 ZINC001444345742 1066452640 /nfs/dbraw/zinc/45/26/40/1066452640.db2.gz WIRSAPREOIKKAN-FRGLQRNOSA-N 0 0 457.412 4.934 20 0 JJADRN CCCNC(=O)CCC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC001455930493 1066453000 /nfs/dbraw/zinc/45/30/00/1066453000.db2.gz UHEBKSKBCYXUMV-UHFFFAOYSA-N 0 0 451.336 4.645 20 0 JJADRN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC001455933908 1066454225 /nfs/dbraw/zinc/45/42/25/1066454225.db2.gz LBYZHLALNJMQCZ-ZDUSSCGKSA-N 0 0 453.297 4.689 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC001444359290 1066454276 /nfs/dbraw/zinc/45/42/76/1066454276.db2.gz HGGDXDWXPQMJRU-UHFFFAOYSA-N 0 0 455.946 4.972 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545966926 1066454300 /nfs/dbraw/zinc/45/43/00/1066454300.db2.gz MPDLDLURMHGAJG-HKUYNNGSSA-N 0 0 485.629 4.850 20 0 JJADRN Cc1cn2nc(C(=O)N(C)Cc3cc(Cl)ccc3Oc3ccc(Cl)cc3)cc2c(=O)[nH]1 ZINC001455933659 1066454441 /nfs/dbraw/zinc/45/44/41/1066454441.db2.gz OIJJYRPZANAOOA-UHFFFAOYSA-N 0 0 457.317 4.702 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361155739 1066455643 /nfs/dbraw/zinc/45/56/43/1066455643.db2.gz FVSHKUGPSPKDOU-HXUWFJFHSA-N 0 0 479.591 4.985 20 0 JJADRN O=C(Nc1cccc(SC(F)F)c1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001455937309 1066455829 /nfs/dbraw/zinc/45/58/29/1066455829.db2.gz ANPQPJQYXNTJNO-INIZCTEOSA-N 0 0 455.324 4.894 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1csc(Br)c1)OC ZINC001545966770 1066455978 /nfs/dbraw/zinc/45/59/78/1066455978.db2.gz KGDQTNKWICSXPT-INIZCTEOSA-N 0 0 495.443 4.848 20 0 JJADRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC001444369226 1066456157 /nfs/dbraw/zinc/45/61/57/1066456157.db2.gz XZFAGYAYDXCBPQ-UHFFFAOYSA-N 0 0 454.914 4.941 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3sc(-c4ccccc4)nc3C(F)F)c2)cn1 ZINC001455940248 1066456370 /nfs/dbraw/zinc/45/63/70/1066456370.db2.gz NVYMTTNMHFZQGY-UHFFFAOYSA-N 0 0 454.458 4.953 20 0 JJADRN Cc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)cc1S(=O)(=O)NC1CCCC1 ZINC001455939714 1066456444 /nfs/dbraw/zinc/45/64/44/1066456444.db2.gz KYUFMDHHJCWBPN-UHFFFAOYSA-N 0 0 454.636 4.843 20 0 JJADRN Cn1cc(C(=O)Nc2cccc(OC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)c2)cn1 ZINC001455938101 1066456469 /nfs/dbraw/zinc/45/64/69/1066456469.db2.gz FTSQPWPWKYMXAL-UHFFFAOYSA-N 0 0 454.914 4.652 20 0 JJADRN Cc1c(NC(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)cccc1OCC(F)(F)F ZINC001455942367 1066457018 /nfs/dbraw/zinc/45/70/18/1066457018.db2.gz RFYJUGSHPMBBPE-UHFFFAOYSA-N 0 0 456.465 4.853 20 0 JJADRN Cc1sc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)nc1-c1ccccc1 ZINC001444391994 1066457352 /nfs/dbraw/zinc/45/73/52/1066457352.db2.gz SNGRXWPROAPHLZ-MRXNPFEDSA-N 0 0 457.958 4.623 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2sccc2C1)NC(=O)OC(C)(C)C ZINC001545967025 1066457366 /nfs/dbraw/zinc/45/73/66/1066457366.db2.gz OMLBOLZRTKTEFL-LJQANCHMSA-N 0 0 483.638 4.881 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC4(C3)CCOCC4)n2CCSCC(C)C)c1 ZINC001361156109 1066457485 /nfs/dbraw/zinc/45/74/85/1066457485.db2.gz NQTMUQGYJWKFBE-UHFFFAOYSA-N 0 0 458.672 4.870 20 0 JJADRN Cc1nc(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](C(F)F)C2)cs1 ZINC001361156149 1066457586 /nfs/dbraw/zinc/45/75/86/1066457586.db2.gz ORISZEHVYWAFIA-GOSISDBHSA-N 0 0 461.582 4.963 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)CNC(=O)CCC(C)C ZINC001444395219 1066457562 /nfs/dbraw/zinc/45/75/62/1066457562.db2.gz UYUCFSLLDNOWBQ-CYBMUJFWSA-N 0 0 452.418 4.611 20 0 JJADRN CSCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC001455947611 1066457686 /nfs/dbraw/zinc/45/76/86/1066457686.db2.gz HLMNXTVCPJCTAU-HNNXBMFYSA-N 0 0 453.029 4.876 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC2CCOCC2)c1 ZINC001361156289 1066458142 /nfs/dbraw/zinc/45/81/42/1066458142.db2.gz SABDYFYRVNIMAS-OAQYLSRUSA-N 0 0 496.574 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)CCSc1ccc(F)cc1)C(F)(F)F ZINC001455949982 1066458252 /nfs/dbraw/zinc/45/82/52/1066458252.db2.gz FWKGSLXVTHOXDX-IBGZPJMESA-N 0 0 450.498 4.756 20 0 JJADRN Cc1ccc(C(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)cc1-n1cccc1 ZINC001455949421 1066458280 /nfs/dbraw/zinc/45/82/80/1066458280.db2.gz DZSKOZOVUHSLAG-JOCHJYFZSA-N 0 0 451.489 4.848 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(Cl)c(OC)c2)C1 ZINC001546077868 1066458861 /nfs/dbraw/zinc/45/88/61/1066458861.db2.gz XHKDTRQEKOHHMM-XMMPIXPASA-N 0 0 488.057 4.801 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001361156367 1066458820 /nfs/dbraw/zinc/45/88/20/1066458820.db2.gz TZLVPFPCWNMZCP-GOSISDBHSA-N 0 0 489.533 4.840 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001361156446 1066458945 /nfs/dbraw/zinc/45/89/45/1066458945.db2.gz VROVVNAWJDWOGQ-PMACEKPBSA-N 0 0 478.584 4.682 20 0 JJADRN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545967071 1066459004 /nfs/dbraw/zinc/45/90/04/1066459004.db2.gz PMDCCMIXWYJIOT-HLAWJBBLSA-N 0 0 487.645 4.508 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001361156447 1066459296 /nfs/dbraw/zinc/45/92/96/1066459296.db2.gz VROVVNAWJDWOGQ-UXHICEINSA-N 0 0 478.584 4.682 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001455955726 1066459854 /nfs/dbraw/zinc/45/98/54/1066459854.db2.gz KBFOSRJBEVCSCM-QFIPXVFZSA-N 0 0 455.599 4.526 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc4ccsc4s3)cc2)cc1 ZINC001444408168 1066459901 /nfs/dbraw/zinc/45/99/01/1066459901.db2.gz MIUGSTJHZZEPEB-UHFFFAOYSA-N 0 0 459.574 4.810 20 0 JJADRN Cc1cccc2c(=O)n(CCC(=O)O[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cnc12 ZINC001361156678 1066459885 /nfs/dbraw/zinc/45/98/85/1066459885.db2.gz BRCCTWFFBNRXKD-GOSISDBHSA-N 0 0 458.358 4.961 20 0 JJADRN Cc1c(Br)cnn1CC(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F ZINC001361156841 1066459994 /nfs/dbraw/zinc/45/99/94/1066459994.db2.gz GVAVGTATYOYBFC-ZDUSSCGKSA-N 0 0 456.056 4.563 20 0 JJADRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC001361157326 1066460063 /nfs/dbraw/zinc/46/00/63/1066460063.db2.gz CANGSYIZPQXSPS-AWEZNQCLSA-N 0 0 457.518 4.938 20 0 JJADRN Cc1nc(-c2c[nH]c(C(=O)NC[C@]3(C(F)(F)F)CCCN3C(=O)OC(C)(C)C)c2)cs1 ZINC001455956418 1066460105 /nfs/dbraw/zinc/46/01/05/1066460105.db2.gz REKVYLBTSZHANL-IBGZPJMESA-N 0 0 458.506 4.508 20 0 JJADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361157412 1066460466 /nfs/dbraw/zinc/46/04/66/1066460466.db2.gz CWMVWTIIASIWJH-LJQANCHMSA-N 0 0 450.539 4.522 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1nc2cc(Cl)ccc2n1C ZINC001361157999 1066460525 /nfs/dbraw/zinc/46/05/25/1066460525.db2.gz ZJALOVYNPYOZAU-NWDGAFQWSA-N 0 0 450.297 4.677 20 0 JJADRN C[C@@H](OC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1nc2ccc(Cl)cc2n1C ZINC001361157662 1066460615 /nfs/dbraw/zinc/46/06/15/1066460615.db2.gz VRVZHQXGQNCOPT-OLZOCXBDSA-N 0 0 456.955 4.802 20 0 JJADRN C[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1nc2cc(Cl)ccc2n1C ZINC001361157364 1066460650 /nfs/dbraw/zinc/46/06/50/1066460650.db2.gz QZFAETAMUMZHNL-JSGCOSHPSA-N 0 0 457.905 4.723 20 0 JJADRN Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001444415456 1066460614 /nfs/dbraw/zinc/46/06/14/1066460614.db2.gz WBNWFZVQCAXTNM-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN C[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1)c1ccc2c(c1)CC(=O)N2C ZINC001455960716 1066461240 /nfs/dbraw/zinc/46/12/40/1066461240.db2.gz VGUARGIVVIBDPL-ZDUSSCGKSA-N 0 0 455.530 4.762 20 0 JJADRN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)cc1OC(F)F ZINC001444434184 1066461396 /nfs/dbraw/zinc/46/13/96/1066461396.db2.gz PVDMWYUWFAFSKG-UHFFFAOYSA-N 0 0 458.552 4.911 20 0 JJADRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001444429323 1066461415 /nfs/dbraw/zinc/46/14/15/1066461415.db2.gz IYHHVVWNEWBXFW-QFIPXVFZSA-N 0 0 457.615 4.857 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC[C@H]2CCCCO2)c1 ZINC001361158446 1066461359 /nfs/dbraw/zinc/46/13/59/1066461359.db2.gz BCGOMCIITAPGLU-HSZRJFAPSA-N 0 0 497.684 4.518 20 0 JJADRN Cc1cc(CO)cc(C)c1CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC001455963997 1066461809 /nfs/dbraw/zinc/46/18/09/1066461809.db2.gz OPHRGNXMZOJDOC-UHFFFAOYSA-N 0 0 454.636 4.514 20 0 JJADRN O=C(Nc1ccc(OC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1)c1ccc(F)cc1 ZINC001455962642 1066461925 /nfs/dbraw/zinc/46/19/25/1066461925.db2.gz JCBBLNSPQKKISM-QGZVFWFLSA-N 0 0 450.441 4.566 20 0 JJADRN C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ncc(-c2ccccc2)o1 ZINC001444436986 1066461950 /nfs/dbraw/zinc/46/19/50/1066461950.db2.gz IWLASJZCWCGIEJ-INIZCTEOSA-N 0 0 458.967 4.959 20 0 JJADRN CSc1cc(C(=O)Nc2cc(I)ccc2Br)c(C)o1 ZINC001455966147 1066462440 /nfs/dbraw/zinc/46/24/40/1066462440.db2.gz KBKQZXORTPJEJI-UHFFFAOYSA-N 0 0 452.111 4.929 20 0 JJADRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001455965363 1066462501 /nfs/dbraw/zinc/46/25/01/1066462501.db2.gz MPCLYHMSKMORKY-UHFFFAOYSA-N 0 0 455.795 4.861 20 0 JJADRN COc1cccc(Cn2[nH]c(C)c3c(NC(=O)CC(C)(C)CC(=O)c4ccccc4)nnc2-3)c1 ZINC001444452331 1066462447 /nfs/dbraw/zinc/46/24/47/1066462447.db2.gz MQAUIQMXJDXWHT-UHFFFAOYSA-N 0 0 459.550 4.704 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H]3c3cccs3)n2CC(=O)NCC(F)(F)F)c1 ZINC001361158930 1066462594 /nfs/dbraw/zinc/46/25/94/1066462594.db2.gz ITFGDVKOAPDDSI-KRWDZBQOSA-N 0 0 493.555 4.555 20 0 JJADRN C/C(=C\C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001455967322 1066463047 /nfs/dbraw/zinc/46/30/47/1066463047.db2.gz ZEKDFDZVTQBMSM-SDNWHVSQSA-N 0 0 454.851 4.886 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2coc(-c3ccccc3Cl)n2)cc1OC ZINC001455968456 1066463137 /nfs/dbraw/zinc/46/31/37/1066463137.db2.gz VRGNLVWMZZDXRY-UHFFFAOYSA-N 0 0 451.704 4.705 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001361159115 1066463256 /nfs/dbraw/zinc/46/32/56/1066463256.db2.gz PESSGXANRUGCQU-FPOVZHCZSA-N 0 0 479.591 4.985 20 0 JJADRN COc1cc(Br)c(CNC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)cc1OC ZINC001455969987 1066463876 /nfs/dbraw/zinc/46/38/76/1066463876.db2.gz XJJUZUMGNWDVIT-UHFFFAOYSA-N 0 0 458.356 4.705 20 0 JJADRN CC[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C ZINC001545967312 1066464034 /nfs/dbraw/zinc/46/40/34/1066464034.db2.gz VNZOVXWXBRGXKR-QUCCMNQESA-N 0 0 494.640 4.800 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2([S@@](C)=O)CC2)C1 ZINC001546078016 1066464403 /nfs/dbraw/zinc/46/44/03/1066464403.db2.gz ZXNROCQDUIQJOX-JIYROHSKSA-N 0 0 479.090 4.789 20 0 JJADRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1nccn2c(Br)cnc12 ZINC001455974393 1066464536 /nfs/dbraw/zinc/46/45/36/1066464536.db2.gz GRFANNVDZCBYRE-UHFFFAOYSA-N 0 0 459.250 4.601 20 0 JJADRN O=C(N1CCC(OC[C@@H]2CCOC2)CC1)C1(c2ccccc2Br)CCCCC1 ZINC001546078087 1066465081 /nfs/dbraw/zinc/46/50/81/1066465081.db2.gz CAEIPRZZKUZCQN-GOSISDBHSA-N 0 0 450.417 4.695 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)c1 ZINC001361159853 1066465160 /nfs/dbraw/zinc/46/51/60/1066465160.db2.gz MQPQKISYAFANML-IRLDBZIGSA-N 0 0 483.657 4.967 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc(NCCc3ccccn3)cc2)c(SC)cc1OC ZINC001444479433 1066465235 /nfs/dbraw/zinc/46/52/35/1066465235.db2.gz GFIXAYGJJBMJIZ-UHFFFAOYSA-N 0 0 451.592 4.748 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2CCCC2(C)C)c1 ZINC001361159821 1066465260 /nfs/dbraw/zinc/46/52/60/1066465260.db2.gz LDUSEYVZWOCXJU-PKTZIBPZSA-N 0 0 481.685 4.993 20 0 JJADRN O=C(CNC(=O)OCC(F)(F)F)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001444483893 1066465950 /nfs/dbraw/zinc/46/59/50/1066465950.db2.gz PKLIEAIZSNBQGA-UHFFFAOYSA-N 0 0 451.228 4.690 20 0 JJADRN O=C(N1CCC(OC[C@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001546078129 1066465825 /nfs/dbraw/zinc/46/58/25/1066465825.db2.gz CXFMDLLKVWGBMR-SFHVURJKSA-N 0 0 450.417 4.695 20 0 JJADRN O=C(Cc1ccc(F)cc1Br)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001455980355 1066465835 /nfs/dbraw/zinc/46/58/35/1066465835.db2.gz HHHNGGFJEIAUMV-UHFFFAOYSA-N 0 0 453.267 4.570 20 0 JJADRN Cc1ccc(F)c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1Br ZINC001455981662 1066465844 /nfs/dbraw/zinc/46/58/44/1066465844.db2.gz IZAQGMXDXRCBFR-UHFFFAOYSA-N 0 0 453.267 4.950 20 0 JJADRN COc1cc(CN(C)C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c(SC)cc1OC ZINC001444484701 1066465957 /nfs/dbraw/zinc/46/59/57/1066465957.db2.gz LGHXNIKEYVPQDW-UHFFFAOYSA-N 0 0 451.544 4.635 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)CCOc2ccc(Cl)c(F)c2)c1 ZINC001455988730 1066467827 /nfs/dbraw/zinc/46/78/27/1066467827.db2.gz WQRHSDRBFXFUQU-UHFFFAOYSA-N 0 0 452.910 4.790 20 0 JJADRN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC001455991111 1066468383 /nfs/dbraw/zinc/46/83/83/1066468383.db2.gz CMRJCIDEZTVKMT-RBBKRZOGSA-N 0 0 458.624 4.605 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2CC(C)(C)C2)c1 ZINC001361161982 1066468427 /nfs/dbraw/zinc/46/84/27/1066468427.db2.gz DVORTFCHFMLERE-JOCHJYFZSA-N 0 0 456.631 4.540 20 0 JJADRN Cc1c(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cnn1-c1cccc(Br)c1 ZINC001361161822 1066468431 /nfs/dbraw/zinc/46/84/31/1066468431.db2.gz ZLZKFCOFAKBVEJ-OAHLLOKOSA-N 0 0 450.340 4.620 20 0 JJADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001455990190 1066468468 /nfs/dbraw/zinc/46/84/68/1066468468.db2.gz LIJFAUSKPYBRAU-JOCHJYFZSA-N 0 0 459.631 4.601 20 0 JJADRN COc1cc(C(=O)NCC2(O)CCCCC2)ccc1OCc1ccc(Br)s1 ZINC001444501580 1066468758 /nfs/dbraw/zinc/46/87/58/1066468758.db2.gz OPNUFWXRQLJNCV-UHFFFAOYSA-N 0 0 454.386 4.523 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCCSCC(C)C)c1 ZINC001361162197 1066468952 /nfs/dbraw/zinc/46/89/52/1066468952.db2.gz KGDFHMWIMUFMJN-NVQXNPDNSA-N 0 0 488.698 4.637 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001361162146 1066469001 /nfs/dbraw/zinc/46/90/01/1066469001.db2.gz JFNWSNCPKNOCDP-QFIPXVFZSA-N 0 0 467.614 4.669 20 0 JJADRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(-c3c(F)cccc3F)no2)c1 ZINC001455992964 1066469203 /nfs/dbraw/zinc/46/92/03/1066469203.db2.gz FKSCBKCJIRZVPG-UHFFFAOYSA-N 0 0 459.449 4.776 20 0 JJADRN Nc1c(Br)cc(Br)cc1CNC(=O)c1scnc1C1CCCC1 ZINC001455993981 1066469250 /nfs/dbraw/zinc/46/92/50/1066469250.db2.gz YZQAENBEUDCWKS-UHFFFAOYSA-N 0 0 459.207 4.838 20 0 JJADRN COCCc1nnc(-c2cccc(C(=O)Nc3cc(-c4cccc(Cl)c4Cl)[nH]n3)c2)o1 ZINC001455999940 1066469732 /nfs/dbraw/zinc/46/97/32/1066469732.db2.gz RJAQQUIRMCZPKD-UHFFFAOYSA-N 0 0 458.305 4.875 20 0 JJADRN CCCN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509022 1066470194 /nfs/dbraw/zinc/47/01/94/1066470194.db2.gz PXFJLQXROMVVFY-YWZLYKJASA-N 0 0 453.414 4.790 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3cc(C)ccc3C)nnc2N2CCSC[C@@H]2C)c(C)o1 ZINC001361162352 1066470232 /nfs/dbraw/zinc/47/02/32/1066470232.db2.gz AJSPWWAUXIGNHU-AVRWGWEMSA-N 0 0 470.639 4.533 20 0 JJADRN COc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1F ZINC001456002437 1066470415 /nfs/dbraw/zinc/47/04/15/1066470415.db2.gz BTIFGDAIUZWGSR-UHFFFAOYSA-N 0 0 455.839 4.724 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)s1 ZINC001444512140 1066471014 /nfs/dbraw/zinc/47/10/14/1066471014.db2.gz VPAOFMRRARMLJX-KRWDZBQOSA-N 0 0 457.621 4.956 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001444511869 1066471036 /nfs/dbraw/zinc/47/10/36/1066471036.db2.gz HJXODNJTLBXTLL-RSLCBRBSSA-N 0 0 459.587 4.858 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)nc1Br ZINC001444511978 1066471070 /nfs/dbraw/zinc/47/10/70/1066471070.db2.gz RJJRELIJDPWWOH-ZDUSSCGKSA-N 0 0 453.764 4.610 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001361163195 1066471796 /nfs/dbraw/zinc/47/17/96/1066471796.db2.gz KTMFDBWRRBWVHM-BKMJKUGQSA-N 0 0 472.699 4.993 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001444515614 1066471812 /nfs/dbraw/zinc/47/18/12/1066471812.db2.gz MYROCAILWBBBJA-FOIQADDNSA-N 0 0 457.958 4.917 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC001444515620 1066472067 /nfs/dbraw/zinc/47/20/67/1066472067.db2.gz MYROCAILWBBBJA-QRWLVFNGSA-N 0 0 457.958 4.917 20 0 JJADRN CC[C@H](C)[C@H](NC(=O)[C@@H](C)OCc1ccccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012867 1066472549 /nfs/dbraw/zinc/47/25/49/1066472549.db2.gz CZOSMSRCKIXNMT-HWHXTQLESA-N 0 0 451.611 4.670 20 0 JJADRN CC[C@@H](C)[C@H](NC(=O)COc1cccc(Cl)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012369 1066472624 /nfs/dbraw/zinc/47/26/24/1066472624.db2.gz ABLUQIKCPYNYEJ-OSPHWJPCSA-N 0 0 458.002 4.797 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OCc1ccccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456013247 1066472668 /nfs/dbraw/zinc/47/26/68/1066472668.db2.gz CZOSMSRCKIXNMT-PIBDYAPNSA-N 0 0 451.611 4.670 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC001444517346 1066472691 /nfs/dbraw/zinc/47/26/91/1066472691.db2.gz RNRGFGFSEPEKBY-GCJKJVERSA-N 0 0 451.567 4.906 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC[C@H](C4CCC4)C3)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001361163335 1066472705 /nfs/dbraw/zinc/47/27/05/1066472705.db2.gz MNXIIPXYMALMAM-YWEHKCAJSA-N 0 0 484.685 4.914 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCc2ccsc2)c1 ZINC001361163650 1066473398 /nfs/dbraw/zinc/47/33/98/1066473398.db2.gz ZYJJTWVFBARMRW-IBGZPJMESA-N 0 0 466.529 4.546 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361163480 1066473424 /nfs/dbraw/zinc/47/34/24/1066473424.db2.gz YLYOMDBPAJGUQE-LRSLUSHPSA-N 0 0 456.631 4.681 20 0 JJADRN C[C@](Cc1nc2ccccc2s1)(C(=O)NCCCOCC1CCOCC1)c1ccccc1 ZINC001444536371 1066473448 /nfs/dbraw/zinc/47/34/48/1066473448.db2.gz YINMUXQLQNRMBS-AREMUKBSSA-N 0 0 452.620 4.746 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c3c2CCC3)c(C)c1 ZINC001456015798 1066473956 /nfs/dbraw/zinc/47/39/56/1066473956.db2.gz BVNNJRYACLNHJI-LJQANCHMSA-N 0 0 454.615 4.647 20 0 JJADRN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)c1 ZINC001361163824 1066474072 /nfs/dbraw/zinc/47/40/72/1066474072.db2.gz RFXIGLYHRGRAIW-SFHVURJKSA-N 0 0 479.572 4.623 20 0 JJADRN CN(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(C(F)(F)F)c1 ZINC001456015895 1066474079 /nfs/dbraw/zinc/47/40/79/1066474079.db2.gz DPTZNSSTHAERJZ-QFIPXVFZSA-N 0 0 455.480 4.751 20 0 JJADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2 ZINC001444549865 1066474189 /nfs/dbraw/zinc/47/41/89/1066474189.db2.gz GJQVMNIEOUADTA-SJORKVTESA-N 0 0 454.514 4.529 20 0 JJADRN CC(C)c1nc(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cs1 ZINC001444549248 1066474202 /nfs/dbraw/zinc/47/42/02/1066474202.db2.gz IYFIYNJLEVYPMV-UHFFFAOYSA-N 0 0 457.493 4.715 20 0 JJADRN CSc1ccc(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1 ZINC001444556578 1066474844 /nfs/dbraw/zinc/47/48/44/1066474844.db2.gz XKZDTARTGREPNC-UHFFFAOYSA-N 0 0 454.489 4.857 20 0 JJADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cnc(Nc3ccc(Cl)cc3)c(Cl)c1)CC2 ZINC001444556917 1066474952 /nfs/dbraw/zinc/47/49/52/1066474952.db2.gz MXGALQRESZDBSE-RTBURBONSA-N 0 0 450.366 4.524 20 0 JJADRN Cc1nnnn1-c1cc(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)ccc1F ZINC001361164541 1066475595 /nfs/dbraw/zinc/47/55/95/1066475595.db2.gz NLKWHSUIDMDPQI-JOCHJYFZSA-N 0 0 451.889 4.830 20 0 JJADRN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC001456017791 1066475728 /nfs/dbraw/zinc/47/57/28/1066475728.db2.gz DVUNQZOFPZCXPM-KRWDZBQOSA-N 0 0 456.258 4.816 20 0 JJADRN CC(C)C[C@@H](CC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC001444561201 1066476383 /nfs/dbraw/zinc/47/63/83/1066476383.db2.gz CYTKGONIXIKBOA-UNMCSNQZSA-N 0 0 453.023 4.942 20 0 JJADRN Cc1ccc(Oc2ccccc2CC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 ZINC001456018673 1066476389 /nfs/dbraw/zinc/47/63/89/1066476389.db2.gz LBQYAEMIHOJIHS-UHFFFAOYSA-N 0 0 454.523 4.648 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC001444563989 1066477130 /nfs/dbraw/zinc/47/71/30/1066477130.db2.gz HURVQNCIQIMSLF-AQKFKSFVSA-N 0 0 451.007 4.696 20 0 JJADRN Cc1nnc(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1Cc1ccccc1 ZINC001444566548 1066477143 /nfs/dbraw/zinc/47/71/43/1066477143.db2.gz MVVGWHIOERRZBN-UHFFFAOYSA-N 0 0 450.486 4.615 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cnn(CCC(C)C)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456021213 1066478296 /nfs/dbraw/zinc/47/82/96/1066478296.db2.gz YVVKBQYESVJRGC-YADARESESA-N 0 0 453.631 4.621 20 0 JJADRN CCCOc1cccc(C(=O)Nc2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)c1 ZINC001444574506 1066478761 /nfs/dbraw/zinc/47/87/61/1066478761.db2.gz WZGYIOKMDXVZJY-UHFFFAOYSA-N 0 0 451.527 4.538 20 0 JJADRN COc1ccc(-c2nc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n[nH]2)cc1OC ZINC001444589147 1066479463 /nfs/dbraw/zinc/47/94/63/1066479463.db2.gz WXHLDGLWYDECPV-UHFFFAOYSA-N 0 0 456.502 4.589 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)CCCCc2cccc(O)c2)C1 ZINC001456023067 1066479894 /nfs/dbraw/zinc/47/98/94/1066479894.db2.gz CJQXQXQJJHSZMG-LJQANCHMSA-N 0 0 456.558 4.974 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)sc(C)c1CC ZINC001444601084 1066480192 /nfs/dbraw/zinc/48/01/92/1066480192.db2.gz ISAOEBMXBAKWPG-ZDUSSCGKSA-N 0 0 452.573 4.634 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(F)c(F)c(F)c3)c2)cc1 ZINC001444601638 1066480230 /nfs/dbraw/zinc/48/02/30/1066480230.db2.gz OXSRVCZMSXVBKS-UHFFFAOYSA-N 0 0 450.438 4.556 20 0 JJADRN Cc1ccc([C@@]2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)CCC(C)C)C2)cc1 ZINC001361167369 1066480617 /nfs/dbraw/zinc/48/06/17/1066480617.db2.gz OKEURDGNSGEPAN-CLJLJLNGSA-N 0 0 484.044 4.587 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(CC(C)C)n3CCC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC001361167451 1066480633 /nfs/dbraw/zinc/48/06/33/1066480633.db2.gz QTQUSIILVFSBFE-VWLOTQADSA-N 0 0 493.618 4.547 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001444602684 1066480715 /nfs/dbraw/zinc/48/07/15/1066480715.db2.gz BKCCAXAWOAMLLB-UHFFFAOYSA-N 0 0 451.257 4.668 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3ccc(Oc4ncccc4C)cc3)n[nH]2)cc(OC)c1 ZINC001444603782 1066480790 /nfs/dbraw/zinc/48/07/90/1066480790.db2.gz NMVFNJPEZBLYCK-UHFFFAOYSA-N 0 0 458.518 4.960 20 0 JJADRN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cc(F)c(F)c(F)c1 ZINC001444605647 1066480904 /nfs/dbraw/zinc/48/09/04/1066480904.db2.gz XPFPFDROZDXJMH-UHFFFAOYSA-N 0 0 453.511 4.955 20 0 JJADRN Cc1ccc([C@]2(O)CCN(c3nnc(C4CCCC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001361167804 1066481417 /nfs/dbraw/zinc/48/14/17/1066481417.db2.gz WROFQJVCZKRQBV-HRFSGMKKSA-N 0 0 483.657 4.597 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cc1 ZINC001361167700 1066481436 /nfs/dbraw/zinc/48/14/36/1066481436.db2.gz DUFBWDFCIBHDIM-UHFFFAOYSA-N 0 0 452.414 4.774 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444608033 1066481584 /nfs/dbraw/zinc/48/15/84/1066481584.db2.gz TWFKXVYELIMEHG-IFMALSPDSA-N 0 0 454.542 4.556 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC001444608043 1066481637 /nfs/dbraw/zinc/48/16/37/1066481637.db2.gz TWFKXVYELIMEHG-RBBKRZOGSA-N 0 0 454.542 4.556 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)NC[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)cs2)c1 ZINC001444608747 1066481652 /nfs/dbraw/zinc/48/16/52/1066481652.db2.gz MMQZJIJRFRYWJZ-VQIMIIECSA-N 0 0 459.612 4.538 20 0 JJADRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC001444606370 1066481692 /nfs/dbraw/zinc/48/16/92/1066481692.db2.gz RQEAXAFCQBJUGE-INIZCTEOSA-N 0 0 457.299 4.978 20 0 JJADRN CC(C)(C)OC(=O)COc1cccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c1 ZINC001456029316 1066482087 /nfs/dbraw/zinc/48/20/87/1066482087.db2.gz IPMZYPJKKVXTCZ-UHFFFAOYSA-N 0 0 459.970 4.539 20 0 JJADRN COCCOc1ccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c(Cl)c1 ZINC001456029692 1066482112 /nfs/dbraw/zinc/48/21/12/1066482112.db2.gz FLLCPNCQQGWZPM-LJQANCHMSA-N 0 0 451.394 4.803 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Cc1nc(C2CCCCC2)cs1 ZINC001444609764 1066482123 /nfs/dbraw/zinc/48/21/23/1066482123.db2.gz NZQDVLQJMRCTPR-QAPCUYQASA-N 0 0 451.633 4.610 20 0 JJADRN CCN(C(=O)CCSc1ccccc1Br)c1ccccc1S(=O)(=O)CC ZINC001361168296 1066482126 /nfs/dbraw/zinc/48/21/26/1066482126.db2.gz DRVPNLWDMDNBNC-UHFFFAOYSA-N 0 0 456.427 4.778 20 0 JJADRN CCCCOCCN(C(=O)c1ccc(Cc2nnc[nH]2)cc1)c1cccc(Br)c1 ZINC001444613605 1066482715 /nfs/dbraw/zinc/48/27/15/1066482715.db2.gz DAKPEZBEBKFHTQ-UHFFFAOYSA-N 0 0 457.372 4.622 20 0 JJADRN O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccc(Cl)c(I)c1 ZINC001444613484 1066482937 /nfs/dbraw/zinc/48/29/37/1066482937.db2.gz GKRGQCYZZILRIN-UHFFFAOYSA-N 0 0 451.695 4.705 20 0 JJADRN CCc1cnc(CN(C)C(=O)c2cc(I)cc(C(F)(F)F)c2)s1 ZINC001361169116 1066482740 /nfs/dbraw/zinc/48/27/40/1066482740.db2.gz WGTSSMWAUPICLW-UHFFFAOYSA-N 0 0 454.255 4.601 20 0 JJADRN CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC001361168965 1066482763 /nfs/dbraw/zinc/48/27/63/1066482763.db2.gz QPDNTFALSKJIQO-MGPUTAFESA-N 0 0 451.995 4.845 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC001444618182 1066484063 /nfs/dbraw/zinc/48/40/63/1066484063.db2.gz KPUOHQNFFJVKPC-UHFFFAOYSA-N 0 0 457.328 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H]2NC(=O)CC2(C)C)cc1Br ZINC001361169749 1066484597 /nfs/dbraw/zinc/48/45/97/1066484597.db2.gz JYQOAQRTRZMPFW-BEFAXECRSA-N 0 0 486.414 4.721 20 0 JJADRN CCOc1ccc(Nc2ncccc2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001444618855 1066484723 /nfs/dbraw/zinc/48/47/23/1066484723.db2.gz GWJHUABJBXWRSK-UWJYYQICSA-N 0 0 454.571 4.599 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2CC[C@@H]2CCO[C@H](C)C2)o1 ZINC001361169747 1066484757 /nfs/dbraw/zinc/48/47/57/1066484757.db2.gz JVAIQOXDXBKTBD-ZTHCVBQSSA-N 0 0 470.639 4.987 20 0 JJADRN COc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC001444622423 1066485288 /nfs/dbraw/zinc/48/52/88/1066485288.db2.gz KNAULELSSNWKBC-WIYYLYMNSA-N 0 0 454.567 4.650 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCc2cnn(C)n2)cc1Br ZINC001361170659 1066485810 /nfs/dbraw/zinc/48/58/10/1066485810.db2.gz IFWBFZQPXJMYKP-OXQOHEQNSA-N 0 0 486.462 4.792 20 0 JJADRN COc1cc(CCc2cc(NC(=O)c3cc(-n4cccc4)ccc3Cl)n[nH]2)cc(OC)c1 ZINC001444623759 1066486157 /nfs/dbraw/zinc/48/61/57/1066486157.db2.gz YIEOVNXUVRDPQG-UHFFFAOYSA-N 0 0 450.926 4.909 20 0 JJADRN CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001456037489 1066486342 /nfs/dbraw/zinc/48/63/42/1066486342.db2.gz HWUIJXMEFBYWHG-UGSOOPFHSA-N 0 0 451.880 4.711 20 0 JJADRN COc1ccc(-c2nsc(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)n2)cc1 ZINC001456036785 1066486396 /nfs/dbraw/zinc/48/63/96/1066486396.db2.gz VOMCTHFMIRAXPA-UHFFFAOYSA-N 0 0 453.955 4.981 20 0 JJADRN COc1ccc([C@@H](NC(=O)c2cc(C)cn3ccnc23)c2ccccc2)cc1Br ZINC001456036712 1066486449 /nfs/dbraw/zinc/48/64/49/1066486449.db2.gz VAFOJCXZUFVWNX-NRFANRHFSA-N 0 0 450.336 4.933 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(C)c(OCC4CCOCC4)c3)n2)n1 ZINC001444636256 1066486709 /nfs/dbraw/zinc/48/67/09/1066486709.db2.gz KFUHLRDAKHXGIH-UHFFFAOYSA-N 0 0 454.958 4.904 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001456038451 1066487221 /nfs/dbraw/zinc/48/72/21/1066487221.db2.gz PEZAFBOSDQSIRG-CJNGLKHVSA-N 0 0 457.290 4.630 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C3CCC3)n2CCCOC[C@@H]2CCCO2)cc1Br ZINC001361171369 1066487269 /nfs/dbraw/zinc/48/72/69/1066487269.db2.gz OMEGSUFHPJNDMG-IBGZPJMESA-N 0 0 463.420 4.590 20 0 JJADRN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2ccnc3ccnn32)c1=S ZINC001444640624 1066487447 /nfs/dbraw/zinc/48/74/47/1066487447.db2.gz VURSPODPGGRXNE-UHFFFAOYSA-N 0 0 455.975 4.606 20 0 JJADRN CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC001456040081 1066487826 /nfs/dbraw/zinc/48/78/26/1066487826.db2.gz UOSYEFNGISARAM-DEOSSOPVSA-N 0 0 458.624 4.921 20 0 JJADRN CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC001456040086 1066487906 /nfs/dbraw/zinc/48/79/06/1066487906.db2.gz UOSYEFNGISARAM-XMMPIXPASA-N 0 0 458.624 4.921 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC1CCOCC1)NC(=O)OC(C)(C)C ZINC001545968336 1066488064 /nfs/dbraw/zinc/48/80/64/1066488064.db2.gz CKXJQFWRBRCAEA-GOSISDBHSA-N 0 0 478.037 4.765 20 0 JJADRN Cc1c2occ(CC(=O)Nc3cc(N4CCCS4(=O)=O)ccc3Cl)c2ccc1Cl ZINC001456042473 1066488838 /nfs/dbraw/zinc/48/88/38/1066488838.db2.gz ZUOGADKZOZPLJE-UHFFFAOYSA-N 0 0 453.347 4.769 20 0 JJADRN Cc1cccc(-c2nnc(COC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)o2)c1 ZINC001456041841 1066488868 /nfs/dbraw/zinc/48/88/68/1066488868.db2.gz XGTQXQBIVHJICH-HXUWFJFHSA-N 0 0 456.340 4.688 20 0 JJADRN COc1ccc([C@H](NC(=O)c2ncnc3sccc32)c2ccccc2)cc1Br ZINC001456043025 1066488909 /nfs/dbraw/zinc/48/89/09/1066488909.db2.gz GIACSKQNXZWBNX-GOSISDBHSA-N 0 0 454.349 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCNC(=O)C(C)C)cc1Br ZINC001361172251 1066489299 /nfs/dbraw/zinc/48/92/99/1066489299.db2.gz YRIKURHSCLFVHF-QFBILLFUSA-N 0 0 476.463 4.803 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C ZINC001456044690 1066489389 /nfs/dbraw/zinc/48/93/89/1066489389.db2.gz DCTMMYXEZHFIMS-NHYWBVRUSA-N 0 0 457.543 4.567 20 0 JJADRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456045313 1066490147 /nfs/dbraw/zinc/49/01/47/1066490147.db2.gz ARELQKIDIWEMTE-LQBOVUBWSA-N 0 0 459.409 4.575 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)F)c(Br)c1 ZINC001444666475 1066490206 /nfs/dbraw/zinc/49/02/06/1066490206.db2.gz JOUBQAHEBFKKPZ-CYBMUJFWSA-N 0 0 455.082 4.821 20 0 JJADRN Cc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCCOCC(F)F)cc1Br ZINC001361173761 1066490660 /nfs/dbraw/zinc/49/06/60/1066490660.db2.gz JASPENAXZVFJQO-HNNXBMFYSA-N 0 0 475.403 4.630 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC001456045394 1066490722 /nfs/dbraw/zinc/49/07/22/1066490722.db2.gz BCIDAFGAKRBPFL-WMLDXEAASA-N 0 0 453.391 4.918 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 ZINC001456046142 1066490730 /nfs/dbraw/zinc/49/07/30/1066490730.db2.gz DCZOLMXYLYECOY-FQEVSTJZSA-N 0 0 455.580 4.804 20 0 JJADRN CCC(CC)(CNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)NC(=O)OC(C)(C)C ZINC001444668379 1066490795 /nfs/dbraw/zinc/49/07/95/1066490795.db2.gz NWLKGYPQHLUOSR-UHFFFAOYSA-N 0 0 454.493 4.704 20 0 JJADRN O=C(Nc1ccsc1C(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(Br)cc1 ZINC001444666739 1066490820 /nfs/dbraw/zinc/49/08/20/1066490820.db2.gz VJBQESHICYRFOR-UHFFFAOYSA-N 0 0 459.369 4.506 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C2CC(C(C)(C)C)C2)cc1Br ZINC001361173961 1066491155 /nfs/dbraw/zinc/49/11/55/1066491155.db2.gz LFDWBGVBPJYIPJ-UHFFFAOYSA-N 0 0 476.463 4.974 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H](CC(N)=O)C3CCCCC3)cc12 ZINC001361174198 1066491187 /nfs/dbraw/zinc/49/11/87/1066491187.db2.gz QSSOOXQPUPNYEE-LJQANCHMSA-N 0 0 459.015 4.662 20 0 JJADRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001456046301 1066491193 /nfs/dbraw/zinc/49/11/93/1066491193.db2.gz DZKWYLBUJQERQG-SJCJKPOMSA-N 0 0 453.395 4.562 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1OCc1cccc(Br)c1 ZINC001444674505 1066491451 /nfs/dbraw/zinc/49/14/51/1066491451.db2.gz VMOZOAGWDMXDCF-FQEVSTJZSA-N 0 0 454.364 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2C[C@@H]2CCO[C@@H]2C(C)C)o1 ZINC001361174592 1066491533 /nfs/dbraw/zinc/49/15/33/1066491533.db2.gz UOWHFBCACHMKTJ-JLRUASKGSA-N 0 0 479.625 4.563 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCO[C@@H](C)C2)cc1Br ZINC001361175080 1066492184 /nfs/dbraw/zinc/49/21/84/1066492184.db2.gz BOZMRTCLVSHKAA-KBPBESRZSA-N 0 0 461.326 4.830 20 0 JJADRN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1)CN1CCOCC1 ZINC001444677741 1066492195 /nfs/dbraw/zinc/49/21/95/1066492195.db2.gz CWSFXPNNEXWYGF-HNNXBMFYSA-N 0 0 456.505 4.694 20 0 JJADRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)cc1 ZINC001456048047 1066492248 /nfs/dbraw/zinc/49/22/48/1066492248.db2.gz JIYKBCTYELILHV-FQEVSTJZSA-N 0 0 453.951 4.570 20 0 JJADRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC001444677678 1066492304 /nfs/dbraw/zinc/49/23/04/1066492304.db2.gz UVFFYDYSRODYFO-UONOGXRCSA-N 0 0 454.785 4.550 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@](C)(O)c2ccsc2)o1 ZINC001361175078 1066492235 /nfs/dbraw/zinc/49/22/35/1066492235.db2.gz BLTRZIXASBKRQM-QHCPKHFHSA-N 0 0 485.997 4.544 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C)cc3)c(F)c2)cc1 ZINC001456049647 1066492779 /nfs/dbraw/zinc/49/27/79/1066492779.db2.gz OIASSFNOLVTPGM-QHCPKHFHSA-N 0 0 450.535 4.964 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCOc2cccc3ccccc32)cc1 ZINC001456049771 1066492877 /nfs/dbraw/zinc/49/28/77/1066492877.db2.gz KMLUZKPRRNGBTJ-QFIPXVFZSA-N 0 0 450.560 4.548 20 0 JJADRN Cc1nc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)sc1C ZINC001456050818 1066493402 /nfs/dbraw/zinc/49/34/02/1066493402.db2.gz VYQSHHZNLYPMRZ-UHFFFAOYSA-N 0 0 451.577 4.650 20 0 JJADRN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC ZINC001444689842 1066493470 /nfs/dbraw/zinc/49/34/70/1066493470.db2.gz JNRSNXUJVPUPPY-QAAIKFCJSA-N 0 0 452.595 4.870 20 0 JJADRN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C ZINC001361175784 1066493761 /nfs/dbraw/zinc/49/37/61/1066493761.db2.gz CFXVNZOGDUEOCR-IBGZPJMESA-N 0 0 452.576 4.946 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545968527 1066493792 /nfs/dbraw/zinc/49/37/92/1066493792.db2.gz GXHCDYKPTFDKSD-CQSZACIVSA-N 0 0 455.937 4.747 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](SC)C1)OC ZINC001545968546 1066494579 /nfs/dbraw/zinc/49/45/79/1066494579.db2.gz HGZKIMQLRBAGFE-CVEARBPZSA-N 0 0 453.450 4.855 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 ZINC001444699465 1066494604 /nfs/dbraw/zinc/49/46/04/1066494604.db2.gz AEQAOABVTPUUDN-HNNXBMFYSA-N 0 0 459.930 4.680 20 0 JJADRN CN1CCCN(C(=O)c2cnc(Br)c(Br)c2)c2cc(Cl)ccc21 ZINC001361176582 1066494675 /nfs/dbraw/zinc/49/46/75/1066494675.db2.gz JJAIHPKHSUOPEL-UHFFFAOYSA-N 0 0 459.569 4.747 20 0 JJADRN Cc1cc(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)nn1-c1cccc(Cl)c1 ZINC001361176101 1066494679 /nfs/dbraw/zinc/49/46/79/1066494679.db2.gz IROAPLIRTDFJIO-UHFFFAOYSA-N 0 0 454.983 4.584 20 0 JJADRN Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)[C@H]2c2cccs2)cc1 ZINC001456053715 1066494998 /nfs/dbraw/zinc/49/49/98/1066494998.db2.gz HQBHNNVTKJWAHV-LTMIRXACSA-N 0 0 456.608 4.777 20 0 JJADRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCO1 ZINC001361177402 1066495263 /nfs/dbraw/zinc/49/52/63/1066495263.db2.gz CJEZQRJXJPQYRH-INIZCTEOSA-N 0 0 462.417 4.596 20 0 JJADRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cc3cccc(F)c3)n2)c1C ZINC001456055350 1066495823 /nfs/dbraw/zinc/49/58/23/1066495823.db2.gz XXWPQZAPCBSQEI-FQEVSTJZSA-N 0 0 455.580 4.644 20 0 JJADRN CO[C@@]1(C)C[C@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1(C)C ZINC001444707254 1066495871 /nfs/dbraw/zinc/49/58/71/1066495871.db2.gz RFFWNVXGPSPKGV-YWZLYKJASA-N 0 0 451.386 4.696 20 0 JJADRN CCCn1ccc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4cccs4)cc3)cc21 ZINC001444712857 1066496568 /nfs/dbraw/zinc/49/65/68/1066496568.db2.gz CDTZFGPICALQAG-UHFFFAOYSA-N 0 0 453.589 4.844 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCOC[C@@H]2CCOC2)o1 ZINC001361177603 1066496569 /nfs/dbraw/zinc/49/65/69/1066496569.db2.gz KHWWKVNTZSWNJA-KRWDZBQOSA-N 0 0 462.953 4.719 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCO1 ZINC001361177594 1066496609 /nfs/dbraw/zinc/49/66/09/1066496609.db2.gz KBTMOHATYVNRNH-HSZRJFAPSA-N 0 0 487.446 4.572 20 0 JJADRN CC(C)(CNC(=O)CNC(=O)c1ccccc1Cl)Sc1ccc(Br)cc1 ZINC001444715140 1066496607 /nfs/dbraw/zinc/49/66/07/1066496607.db2.gz AUNVFXMORCBHOL-UHFFFAOYSA-N 0 0 455.805 4.519 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545968740 1066496627 /nfs/dbraw/zinc/49/66/27/1066496627.db2.gz KUJSMEUBUOUVDU-SCTDSRPQSA-N 0 0 463.573 4.976 20 0 JJADRN CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001456057149 1066496643 /nfs/dbraw/zinc/49/66/43/1066496643.db2.gz UQJMQKWBMJVJGT-LHSJRXKWSA-N 0 0 459.509 4.703 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCC(F)F ZINC001361177836 1066496951 /nfs/dbraw/zinc/49/69/51/1066496951.db2.gz TYVKYGSXGLAFEB-UHFFFAOYSA-N 0 0 484.345 4.539 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2CC(=O)NC2CCCCC2)o1 ZINC001361177749 1066497039 /nfs/dbraw/zinc/49/70/39/1066497039.db2.gz PIYUKKLEKRXWPM-UHFFFAOYSA-N 0 0 492.443 4.756 20 0 JJADRN C[C@H](CC(=O)NCc1cc(N(C)C)nc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001444722159 1066497536 /nfs/dbraw/zinc/49/75/36/1066497536.db2.gz QMQANBVRXXDPCG-MOPGFXCFSA-N 0 0 454.615 4.590 20 0 JJADRN C[C@@H](CNC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)Oc1ccc(Cl)cc1 ZINC001444721813 1066497540 /nfs/dbraw/zinc/49/75/40/1066497540.db2.gz FPDCNJFNJYHGEM-AWEZNQCLSA-N 0 0 450.992 4.542 20 0 JJADRN Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@@H]1C ZINC001361177964 1066497759 /nfs/dbraw/zinc/49/77/59/1066497759.db2.gz WHYDQLQJPFGNSM-NPMXOYFQSA-N 0 0 488.430 4.808 20 0 JJADRN C[C@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001444727962 1066497950 /nfs/dbraw/zinc/49/79/50/1066497950.db2.gz KYDAHXSOXYCZOI-CWTRNNRKSA-N 0 0 458.889 4.673 20 0 JJADRN C[C@@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Oc1ccc(Cl)cc1 ZINC001444727955 1066497999 /nfs/dbraw/zinc/49/79/99/1066497999.db2.gz KYDAHXSOXYCZOI-BUXKBTBVSA-N 0 0 458.889 4.673 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccoc1 ZINC001361178065 1066498133 /nfs/dbraw/zinc/49/81/33/1066498133.db2.gz YTJMLYUDVBDJNA-UHFFFAOYSA-N 0 0 469.387 4.644 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2C[C@H]2CCC[C@@H](O)C2)o1 ZINC001361178051 1066498217 /nfs/dbraw/zinc/49/82/17/1066498217.db2.gz YBTKQBHIHIKJEX-LSDHHAIUSA-N 0 0 465.417 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Br)s3)n2CCc2ccncc2)o1 ZINC001361178079 1066498226 /nfs/dbraw/zinc/49/82/26/1066498226.db2.gz ZJYMBHJWGYRQDL-UHFFFAOYSA-N 0 0 458.385 4.945 20 0 JJADRN C[C@H]1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)[C@@H](c2ccco2)C1 ZINC001444731462 1066498707 /nfs/dbraw/zinc/49/87/07/1066498707.db2.gz FUAKKVUQMKUKNX-FXAWDEMLSA-N 0 0 452.555 4.654 20 0 JJADRN C[C@H]1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)[C@H](c2ccco2)C1 ZINC001444731469 1066498830 /nfs/dbraw/zinc/49/88/30/1066498830.db2.gz FUAKKVUQMKUKNX-PXNSSMCTSA-N 0 0 452.555 4.654 20 0 JJADRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001444730969 1066498855 /nfs/dbraw/zinc/49/88/55/1066498855.db2.gz XQAGFPRXRQZAFV-GOSISDBHSA-N 0 0 452.414 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2CCCN2CCCCC2=O)o1 ZINC001361178572 1066498720 /nfs/dbraw/zinc/49/87/20/1066498720.db2.gz OLSUUPCGKXSLHL-UHFFFAOYSA-N 0 0 475.515 4.904 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC[C@H]3c3cncc(Br)c3)CCC[C@H]12 ZINC001456061620 1066499006 /nfs/dbraw/zinc/49/90/06/1066499006.db2.gz AKLOQMDOHFDCBU-NPPFBWRTSA-N 0 0 464.404 4.687 20 0 JJADRN O=C(Nc1nc2cc(Br)ccc2n1Cc1ccccc1)c1ccc(CO)c(F)c1 ZINC001444735236 1066499529 /nfs/dbraw/zinc/49/95/29/1066499529.db2.gz LVDYSGFQYWNVQB-UHFFFAOYSA-N 0 0 454.299 4.731 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361178923 1066499619 /nfs/dbraw/zinc/49/96/19/1066499619.db2.gz UKEVINBIVPCKJX-UHFFFAOYSA-N 0 0 463.941 4.800 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(C(F)(F)F)c3)n2Cc2snnc2C)o1 ZINC001361179152 1066500194 /nfs/dbraw/zinc/50/01/94/1066500194.db2.gz YTTVUQXVFQSKQC-UHFFFAOYSA-N 0 0 466.464 4.849 20 0 JJADRN CO[C@@H](CNC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001444741206 1066500018 /nfs/dbraw/zinc/50/00/18/1066500018.db2.gz QFOKKUPHXAVDPM-QHCPKHFHSA-N 0 0 450.966 4.830 20 0 JJADRN CC[C@@H](NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC001444741528 1066500260 /nfs/dbraw/zinc/50/02/60/1066500260.db2.gz NUNCFZQQLCFUCR-NWDGAFQWSA-N 0 0 455.568 4.766 20 0 JJADRN CCN(C(=O)COc1ccc(CCC(C)=O)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001456065892 1066500114 /nfs/dbraw/zinc/50/01/14/1066500114.db2.gz MCZAABQXWNBAPL-AREMUKBSSA-N 0 0 452.501 4.898 20 0 JJADRN CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456066992 1066500151 /nfs/dbraw/zinc/50/01/51/1066500151.db2.gz PMMXSGKVZBOPKT-KAYWLYCHSA-N 0 0 457.574 4.957 20 0 JJADRN O=C(c1cc(I)cc(C(F)(F)F)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC001361179343 1066500519 /nfs/dbraw/zinc/50/05/19/1066500519.db2.gz STELAMKTFRNHRQ-UONOGXRCSA-N 0 0 455.283 4.810 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3cncc(Br)c3)n2)cc1F ZINC001456067165 1066500647 /nfs/dbraw/zinc/50/06/47/1066500647.db2.gz LYGWDOYPTWLZHE-SFHVURJKSA-N 0 0 459.319 4.638 20 0 JJADRN CCc1c(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)nnn1-c1ccc(OC(C)C)cc1 ZINC001361180187 1066500593 /nfs/dbraw/zinc/50/05/93/1066500593.db2.gz QQTVTIJLTKEVER-MRXNPFEDSA-N 0 0 452.559 4.539 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1 ZINC001361179903 1066500716 /nfs/dbraw/zinc/50/07/16/1066500716.db2.gz IWHUKEQZDIWRKM-UHFFFAOYSA-N 0 0 454.570 4.884 20 0 JJADRN CCN(C(=O)CN1c2ccccc2O[C@H](C)C1=O)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001456067295 1066500722 /nfs/dbraw/zinc/50/07/22/1066500722.db2.gz QOWCPQGHJCBDCP-NFQMXDRXSA-N 0 0 457.574 4.957 20 0 JJADRN CC[C@@H](NC(=O)CSc1nccn1-c1cccc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC001444747908 1066500855 /nfs/dbraw/zinc/50/08/55/1066500855.db2.gz SZYXWTBXWQDMBM-CQSZACIVSA-N 0 0 456.515 4.716 20 0 JJADRN CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)c1nc(C(F)(F)F)cs1 ZINC001444749925 1066501188 /nfs/dbraw/zinc/50/11/88/1066501188.db2.gz WOELJSDYQNFYPJ-GOEBONIOSA-N 0 0 454.518 4.982 20 0 JJADRN CCc1csc(-n2cc(C(=O)N(CC)[C@@H](c3cccnc3)c3ccc(F)cc3F)cn2)n1 ZINC001456069128 1066501279 /nfs/dbraw/zinc/50/12/79/1066501279.db2.gz YYAJIMMZHKGJEC-NRFANRHFSA-N 0 0 453.518 4.816 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cccs3)n2C[C@H]2NC(=O)CC2(C)C)cc1Br ZINC001361180856 1066501606 /nfs/dbraw/zinc/50/16/06/1066501606.db2.gz KJPOBKPCQZNIPM-GOSISDBHSA-N 0 0 488.455 4.629 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[C@@H]2CCOC2)cc1Br ZINC001361181032 1066501976 /nfs/dbraw/zinc/50/19/76/1066501976.db2.gz DSHHCPFSYDESCO-OAHLLOKOSA-N 0 0 462.417 4.536 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CCc2ccsc2)cc1Br ZINC001361180999 1066501983 /nfs/dbraw/zinc/50/19/83/1066501983.db2.gz CRUTUNGPCZPUDN-UHFFFAOYSA-N 0 0 469.412 4.747 20 0 JJADRN Cc1cc(I)cc(C(=O)N2CC(OCc3cccc4ccccc43)C2)c1 ZINC001444763235 1066502075 /nfs/dbraw/zinc/50/20/75/1066502075.db2.gz BTPLVIRXGLEHAB-UHFFFAOYSA-N 0 0 457.311 4.794 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361181075 1066502390 /nfs/dbraw/zinc/50/23/90/1066502390.db2.gz PAIPARXUNTWJMF-UHFFFAOYSA-N 0 0 461.570 4.627 20 0 JJADRN CCN(CC1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001444768721 1066502578 /nfs/dbraw/zinc/50/25/78/1066502578.db2.gz LSISZHJZKHQQQV-UHFFFAOYSA-N 0 0 451.564 4.736 20 0 JJADRN CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001456072116 1066502669 /nfs/dbraw/zinc/50/26/69/1066502669.db2.gz IDKOTBVLXAJERD-DEOSSOPVSA-N 0 0 456.995 4.845 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001361181492 1066503276 /nfs/dbraw/zinc/50/32/76/1066503276.db2.gz YQBUDJXIGFGMKA-UHFFFAOYSA-N 0 0 453.543 4.643 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cnccn3)n2C[C@H]2CC[C@@H](F)C2)cc1Br ZINC001361181406 1066503357 /nfs/dbraw/zinc/50/33/57/1066503357.db2.gz LJWAAPSSBNCSSB-DOTOQJQBSA-N 0 0 459.367 4.581 20 0 JJADRN CCN(CC1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1)C(=O)OC(C)(C)C ZINC001444771641 1066503350 /nfs/dbraw/zinc/50/33/50/1066503350.db2.gz RYUJTYLKFFSNLF-UHFFFAOYSA-N 0 0 459.612 4.928 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccco3)n2Cc2ccc(N(C)C)nc2)cc1Br ZINC001361181445 1066503424 /nfs/dbraw/zinc/50/34/24/1066503424.db2.gz WGIFGLOCXVCXEO-UHFFFAOYSA-N 0 0 481.398 4.755 20 0 JJADRN CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)c1ccc(I)cc1N ZINC001456075123 1066503661 /nfs/dbraw/zinc/50/36/61/1066503661.db2.gz KGBYXNXBOWJQKV-INIZCTEOSA-N 0 0 454.739 4.935 20 0 JJADRN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001456076640 1066504075 /nfs/dbraw/zinc/50/40/75/1066504075.db2.gz IJNMOFFBVDEKLH-QDMVCWPOSA-N 0 0 454.636 4.762 20 0 JJADRN COc1ccc(C2CCN(C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)CC2)cc1 ZINC001444789624 1066504137 /nfs/dbraw/zinc/50/41/37/1066504137.db2.gz WKQKEZBXSAEQKM-UHFFFAOYSA-N 0 0 456.999 4.736 20 0 JJADRN COc1ccc(C2CCN(C(=O)C[C@H](NC(=O)c3ccc(O)cc3)c3ccccc3)CC2)cc1 ZINC001444786896 1066504186 /nfs/dbraw/zinc/50/41/86/1066504186.db2.gz NXEJXJNSGKQGBE-SANMLTNESA-N 0 0 458.558 4.668 20 0 JJADRN COc1ccc(C2CCN(C(=O)C[C@@H](NC(=O)c3ccc(O)cc3)c3ccccc3)CC2)cc1 ZINC001444786887 1066504224 /nfs/dbraw/zinc/50/42/24/1066504224.db2.gz NXEJXJNSGKQGBE-AREMUKBSSA-N 0 0 458.558 4.668 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3cscn3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361181736 1066504234 /nfs/dbraw/zinc/50/42/34/1066504234.db2.gz VDBWIGIASOJJIN-UHFFFAOYSA-N 0 0 463.485 4.929 20 0 JJADRN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3=C(c4ccccc4)CCCC3)CC2)cc1 ZINC001456077834 1066504587 /nfs/dbraw/zinc/50/45/87/1066504587.db2.gz SCCALOPEUJFUKW-UHFFFAOYSA-N 0 0 452.620 4.593 20 0 JJADRN CCN(C(=O)c1nnn(Cc2ccc(OC)cc2)c1C)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001456076934 1066504659 /nfs/dbraw/zinc/50/46/59/1066504659.db2.gz SUUGGLOBGQRDRE-AREMUKBSSA-N 0 0 455.562 4.599 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC001361183105 1066505182 /nfs/dbraw/zinc/50/51/82/1066505182.db2.gz FPEQUJADGUHRKV-VIQWUECVSA-N 0 0 461.582 4.678 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(OC(=O)c3cccnc3SCC3CCCCC3)cc2)cn1 ZINC001456079361 1066505176 /nfs/dbraw/zinc/50/51/76/1066505176.db2.gz YCSMYHNVYHHTNK-UHFFFAOYSA-N 0 0 450.564 4.959 20 0 JJADRN Cc1cc(I)cnc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC001361183415 1066505571 /nfs/dbraw/zinc/50/55/71/1066505571.db2.gz SRHKDYILCBCHEU-SNVBAGLBSA-N 0 0 455.346 4.724 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2C[C@](C)(O)c2ccsc2)cc1Br ZINC001361183549 1066506014 /nfs/dbraw/zinc/50/60/14/1066506014.db2.gz MIHFGCPLECZIRN-NRFANRHFSA-N 0 0 488.411 4.610 20 0 JJADRN C[C@@H](NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(-n2cccn2)cc1 ZINC001444806968 1066506616 /nfs/dbraw/zinc/50/66/16/1066506616.db2.gz HVJZARHIZRLNCW-MRXNPFEDSA-N 0 0 452.580 4.718 20 0 JJADRN Cc1ccc(-c2nnc(N(C)Cc3ccon3)n2CCCCOC(C)C)cc1Br ZINC001361184026 1066506465 /nfs/dbraw/zinc/50/64/65/1066506465.db2.gz WLPKRBBYRBOSNP-UHFFFAOYSA-N 0 0 462.392 4.846 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)F)n2Cc2nccn2C(F)F)cc1Br ZINC001361184219 1066506941 /nfs/dbraw/zinc/50/69/41/1066506941.db2.gz CAGHWUHVRKCVJX-UHFFFAOYSA-N 0 0 475.288 4.747 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2Cc2cccc(OCC(F)(F)F)c2)o1 ZINC001361184298 1066507034 /nfs/dbraw/zinc/50/70/34/1066507034.db2.gz FHRLDEKKPCXXFK-GOSISDBHSA-N 0 0 464.488 4.699 20 0 JJADRN C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC001444807367 1066506986 /nfs/dbraw/zinc/50/69/86/1066506986.db2.gz JPWOJLICQLFTKZ-IIBYNOLFSA-N 0 0 454.958 4.969 20 0 JJADRN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)cc1Br ZINC001361184347 1066507217 /nfs/dbraw/zinc/50/72/17/1066507217.db2.gz HJGSQPIONHZXPX-PBYQXAPXSA-N 0 0 497.503 4.569 20 0 JJADRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001444810163 1066507502 /nfs/dbraw/zinc/50/75/02/1066507502.db2.gz UEUDJKFZWULQNM-DNQXCXABSA-N 0 0 452.576 4.557 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)C1 ZINC001546079309 1066507635 /nfs/dbraw/zinc/50/76/35/1066507635.db2.gz JLIQLOMIUBRZDR-VWLOTQADSA-N 0 0 457.688 4.616 20 0 JJADRN Cc1ccccc1O[C@H](C)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001444811769 1066508102 /nfs/dbraw/zinc/50/81/02/1066508102.db2.gz KMOXOEMIIYZOAS-HXUWFJFHSA-N 0 0 458.558 4.807 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC2(C)CCOCC2)cc1Br ZINC001361184647 1066508232 /nfs/dbraw/zinc/50/82/32/1066508232.db2.gz PTQSTNZLJOVNBK-UHFFFAOYSA-N 0 0 477.447 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(C)C)n2CCCNC(=O)C2CCC2)cc1Br ZINC001361184788 1066508268 /nfs/dbraw/zinc/50/82/68/1066508268.db2.gz ULNDUFPQZJTYJI-UHFFFAOYSA-N 0 0 476.463 4.805 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc(Br)cn2)C1 ZINC001546079314 1066508291 /nfs/dbraw/zinc/50/82/91/1066508291.db2.gz JOHLXOHUWHKSQS-HSZRJFAPSA-N 0 0 487.446 4.760 20 0 JJADRN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)ccc2n1C ZINC001444813284 1066508362 /nfs/dbraw/zinc/50/83/62/1066508362.db2.gz YCNBZVOVCOTALF-UHFFFAOYSA-N 0 0 454.939 4.588 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc(Br)cn2)C1 ZINC001546079315 1066508305 /nfs/dbraw/zinc/50/83/05/1066508305.db2.gz JOHLXOHUWHKSQS-QHCPKHFHSA-N 0 0 487.446 4.760 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(OCC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001444815956 1066508643 /nfs/dbraw/zinc/50/86/43/1066508643.db2.gz SNKOOTDYOCEVSP-IBGZPJMESA-N 0 0 456.505 4.689 20 0 JJADRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815029 1066508670 /nfs/dbraw/zinc/50/86/70/1066508670.db2.gz SXLIBUCXLYZPAM-DLBZAZTESA-N 0 0 454.564 4.512 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC(F)F)n2CCn2cc(Cl)cn2)cc1Br ZINC001361185071 1066508787 /nfs/dbraw/zinc/50/87/87/1066508787.db2.gz YCJBEABKMHDGPZ-UHFFFAOYSA-N 0 0 473.753 4.658 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)c3ccc(F)cc3F)cc2)cc1C ZINC001444816251 1066508941 /nfs/dbraw/zinc/50/89/41/1066508941.db2.gz WMAWJFZDJDTWFO-QGZVFWFLSA-N 0 0 458.530 4.916 20 0 JJADRN CC[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](CCOC)C1)NC(=O)OC(C)(C)C ZINC001545969544 1066509461 /nfs/dbraw/zinc/50/94/61/1066509461.db2.gz ZNERNGWXNSDNCW-CTNGQTDRSA-N 0 0 494.640 4.659 20 0 JJADRN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NCCc2nc(C(F)(F)F)cs2)n1 ZINC001361185746 1066509627 /nfs/dbraw/zinc/50/96/27/1066509627.db2.gz MPNNZHWPXBQPSQ-UHFFFAOYSA-N 0 0 450.486 4.627 20 0 JJADRN O=C(NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001456102252 1066509752 /nfs/dbraw/zinc/50/97/52/1066509752.db2.gz KURGOXKYTJEXAP-STZQEDGTSA-N 0 0 450.362 4.883 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)c1ccc(Cl)cc1 ZINC001456102670 1066509946 /nfs/dbraw/zinc/50/99/46/1066509946.db2.gz KBHMTMTXAIARKA-NRFANRHFSA-N 0 0 456.970 4.998 20 0 JJADRN COc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC001444827143 1066510022 /nfs/dbraw/zinc/51/00/22/1066510022.db2.gz KNAUQVRRUJVREW-GBXCKJPGSA-N 0 0 451.592 4.566 20 0 JJADRN COCCN(Cc1cccnc1)C(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001456101976 1066510046 /nfs/dbraw/zinc/51/00/46/1066510046.db2.gz JQFGFKDMNAPCNV-UHFFFAOYSA-N 0 0 458.381 4.679 20 0 JJADRN COCCOc1cc(OC)ccc1C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F ZINC001361186651 1066510164 /nfs/dbraw/zinc/51/01/64/1066510164.db2.gz ZGTYGGFZKWWSCL-UHFFFAOYSA-N 0 0 455.473 4.847 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1 ZINC001361186937 1066510537 /nfs/dbraw/zinc/51/05/37/1066510537.db2.gz ZMUQWADJXSZXLD-OALUTQOASA-N 0 0 453.560 4.775 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CCC(C)(C)O)cc1Br ZINC001361186977 1066510636 /nfs/dbraw/zinc/51/06/36/1066510636.db2.gz AEOUPHDBTFYYLR-UHFFFAOYSA-N 0 0 472.431 4.641 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@]2(O)CCC[C@@H]2C)cc1Br ZINC001361187095 1066511015 /nfs/dbraw/zinc/51/10/15/1066511015.db2.gz FLXBXYGAIOVCQQ-AOMKIAJQSA-N 0 0 490.471 4.703 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3nccs3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)o1 ZINC001361187145 1066511052 /nfs/dbraw/zinc/51/10/52/1066511052.db2.gz HEKMESLDXDPWEY-WMZOPIPTSA-N 0 0 486.642 4.627 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CCc2ccc(F)c(F)c2F)o1 ZINC001361187073 1066511062 /nfs/dbraw/zinc/51/10/62/1066511062.db2.gz DXYXPHDALYUTAC-UHFFFAOYSA-N 0 0 455.484 4.971 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H]2CCOC[C@@H]2C)cc1Br ZINC001361187300 1066511512 /nfs/dbraw/zinc/51/15/12/1066511512.db2.gz MBFDNEPSQPBJDY-GHTZIAJQSA-N 0 0 491.474 4.942 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccccc3OC)n2Cc2ccnc(C(F)(F)F)c2)C1 ZINC001546079504 1066511416 /nfs/dbraw/zinc/51/14/16/1066511416.db2.gz NULXWRBBCSYKAX-HSZRJFAPSA-N 0 0 475.515 4.954 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)o1 ZINC001444847395 1066511496 /nfs/dbraw/zinc/51/14/96/1066511496.db2.gz HBXQFWANCNWBAU-FIKGOQFSSA-N 0 0 456.587 4.903 20 0 JJADRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001444846806 1066511517 /nfs/dbraw/zinc/51/15/17/1066511517.db2.gz RORMEONEKGKBRO-SOUVJXGZSA-N 0 0 451.316 4.746 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3cccs3)n2CCc2ccn(C)n2)cc1Br ZINC001361187281 1066511641 /nfs/dbraw/zinc/51/16/41/1066511641.db2.gz LJOMKRWSIRUETO-UHFFFAOYSA-N 0 0 485.455 4.733 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1)CCO2 ZINC001444850343 1066512189 /nfs/dbraw/zinc/51/21/89/1066512189.db2.gz BFBRFQMKRUOGDX-JOCHJYFZSA-N 0 0 451.954 4.732 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361187587 1066512484 /nfs/dbraw/zinc/51/24/84/1066512484.db2.gz XQEAIXNNSZYSJQ-QGZVFWFLSA-N 0 0 471.577 4.825 20 0 JJADRN CS(=O)(=O)c1ccccc1C(=O)Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC001361187885 1066512911 /nfs/dbraw/zinc/51/29/11/1066512911.db2.gz AFXMNXWTPUJGCO-UHFFFAOYSA-N 0 0 450.434 4.907 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2Cc2ccc(F)cc2C(F)(F)F)o1 ZINC001361187824 1066513095 /nfs/dbraw/zinc/51/30/95/1066513095.db2.gz HWJQHAKUUUMNBS-UHFFFAOYSA-N 0 0 495.521 4.600 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 ZINC001444853230 1066513100 /nfs/dbraw/zinc/51/31/00/1066513100.db2.gz YHTBAFCPQJFUMX-IBGZPJMESA-N 0 0 455.027 4.582 20 0 JJADRN CC[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCc2cnn(C)n2)C1 ZINC001546079658 1066513723 /nfs/dbraw/zinc/51/37/23/1066513723.db2.gz RCABYXXQLHYTHR-JOCHJYFZSA-N 0 0 478.428 4.552 20 0 JJADRN CSCC[C@@H](C(=O)Nc1cccc(CSC(C)C)c1C)N1C(=O)c2ccccc2C1=O ZINC001361188338 1066513557 /nfs/dbraw/zinc/51/35/57/1066513557.db2.gz IGSYJYHYJXQIFD-NRFANRHFSA-N 0 0 456.633 4.993 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CC[C@@H](C)C2)cc1Br ZINC001361188154 1066513642 /nfs/dbraw/zinc/51/36/42/1066513642.db2.gz MBIHAZBZXAVNRM-SJLPKXTDSA-N 0 0 457.420 4.785 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2=NOC3(C2)CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC001444859301 1066514095 /nfs/dbraw/zinc/51/40/95/1066514095.db2.gz UZVGJHGKTNRPCV-PXNSSMCTSA-N 0 0 459.587 4.688 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1 ZINC001456120504 1066514163 /nfs/dbraw/zinc/51/41/63/1066514163.db2.gz ZAGFOTOGHJZCPO-UHFFFAOYSA-N 0 0 456.530 4.952 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCCOc3ccccc3C)n2C[C@@](C)(O)c2ccco2)o1 ZINC001361188573 1066514222 /nfs/dbraw/zinc/51/42/22/1066514222.db2.gz UHYITJNCIQXWHP-RUZDIDTESA-N 0 0 450.539 4.561 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2sc(C)nc2C)C1 ZINC001546079660 1066514201 /nfs/dbraw/zinc/51/42/01/1066514201.db2.gz RCCLELYFWCTZRH-DEOSSOPVSA-N 0 0 455.628 4.808 20 0 JJADRN Cc1csc(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1I ZINC001361189103 1066514567 /nfs/dbraw/zinc/51/45/67/1066514567.db2.gz VBVAGMOZFPHRHI-WBVHZDCISA-N 0 0 455.361 4.867 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC001361189742 1066515045 /nfs/dbraw/zinc/51/50/45/1066515045.db2.gz LPOBVYGUENBNPG-GOSISDBHSA-N 0 0 458.427 4.908 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1 ZINC001444873287 1066515322 /nfs/dbraw/zinc/51/53/22/1066515322.db2.gz QESKKJUQGMBJDH-UHFFFAOYSA-N 0 0 459.593 4.892 20 0 JJADRN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001456125111 1066515324 /nfs/dbraw/zinc/51/53/24/1066515324.db2.gz RHQWXQMAPJHOKC-UHFFFAOYSA-N 0 0 450.841 4.569 20 0 JJADRN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2CCOc2ccc(Cl)cn2)o1 ZINC001361190238 1066515564 /nfs/dbraw/zinc/51/55/64/1066515564.db2.gz GPLHLHILGGJEIZ-UHFFFAOYSA-N 0 0 471.920 4.628 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)c12 ZINC001456126256 1066515694 /nfs/dbraw/zinc/51/56/94/1066515694.db2.gz FSPSMACEGBCVCY-MAUKXSAKSA-N 0 0 468.529 4.761 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1nccc2c(Br)cccc21 ZINC001456127750 1066516185 /nfs/dbraw/zinc/51/61/85/1066516185.db2.gz JMXBVZOYUONNFC-UHFFFAOYSA-N 0 0 458.209 4.924 20 0 JJADRN CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001444889489 1066516295 /nfs/dbraw/zinc/51/62/95/1066516295.db2.gz WJUJHXDIXBFHFB-LJQANCHMSA-N 0 0 454.514 4.762 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cnc(Cc3ccccc3F)s1)C2 ZINC001456128283 1066516617 /nfs/dbraw/zinc/51/66/17/1066516617.db2.gz HTFHBSSIJIBNBH-XMMPIXPASA-N 0 0 459.587 4.879 20 0 JJADRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)/C=C\c1ccccc1OC(F)(F)F)C2 ZINC001456129448 1066516686 /nfs/dbraw/zinc/51/66/86/1066516686.db2.gz IOCRRFOSGWUTIX-GMAFFVFYSA-N 0 0 454.489 4.991 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CC1 ZINC001444900229 1066516806 /nfs/dbraw/zinc/51/68/06/1066516806.db2.gz BLGHGXPTGMVQCM-UHFFFAOYSA-N 0 0 452.555 4.700 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC001361191089 1066517259 /nfs/dbraw/zinc/51/72/59/1066517259.db2.gz GDABOJNZNJULJV-AEFFLSMTSA-N 0 0 463.420 4.878 20 0 JJADRN CCCc1noc2nc(CC)cc(C(=O)N3CC[C@]4(C3)CCCCN4C(=O)OC(C)(C)C)c12 ZINC001456130968 1066517270 /nfs/dbraw/zinc/51/72/70/1066517270.db2.gz MRDLIFYWRWJCIP-VWLOTQADSA-N 0 0 456.587 4.743 20 0 JJADRN COc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(CO)c2)c2ccccc2Cl)c(OC)c1 ZINC001444900757 1066517559 /nfs/dbraw/zinc/51/75/59/1066517559.db2.gz OCVNCOUWXBHGFL-UPCLLVRISA-N 0 0 455.938 4.523 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2C[C@]2(O)CCSC2)cc1Br ZINC001361191380 1066517642 /nfs/dbraw/zinc/51/76/42/1066517642.db2.gz RBIUSYXTRWTUKR-JOCHJYFZSA-N 0 0 491.455 4.892 20 0 JJADRN Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC(=O)Nc2ccc(F)cc2)o1 ZINC001361191257 1066517706 /nfs/dbraw/zinc/51/77/06/1066517706.db2.gz MHSMFXIPFKXYMN-UHFFFAOYSA-N 0 0 465.451 4.793 20 0 JJADRN Cc1ccc(-c2nnc(N(C)OC3CCCC3)n2CCN(C)CC(F)(F)F)cc1Br ZINC001361191274 1066517741 /nfs/dbraw/zinc/51/77/41/1066517741.db2.gz MVPJPSWTMAFHDE-UHFFFAOYSA-N 0 0 490.368 4.821 20 0 JJADRN Cc1c(NC(=O)c2cc(Br)c(C)n(C)c2=O)n(-c2ccccc2)nc1C(C)(C)C ZINC001456131929 1066517702 /nfs/dbraw/zinc/51/77/02/1066517702.db2.gz DETPZORXISIRSW-UHFFFAOYSA-N 0 0 457.372 4.500 20 0 JJADRN Cc1cc([C@@H](NC(=O)CCSc2ncnc3[nH]cnc32)c2ccccc2Cl)ccc1F ZINC001444914310 1066517750 /nfs/dbraw/zinc/51/77/50/1066517750.db2.gz GWUJPXOASHIUHH-LJQANCHMSA-N 0 0 455.946 4.842 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccs3)C3CC3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001361191514 1066518058 /nfs/dbraw/zinc/51/80/58/1066518058.db2.gz WCGMDDVEZIEKQW-UHFFFAOYSA-N 0 0 457.600 4.992 20 0 JJADRN Cc1ccc(-c2nnc(N(Cc3cccs3)Cc3cccs3)n2CC(=O)NCC(F)(F)F)o1 ZINC001361191481 1066518165 /nfs/dbraw/zinc/51/81/65/1066518165.db2.gz VDKGQPFJEVZFHO-UHFFFAOYSA-N 0 0 495.552 4.855 20 0 JJADRN CC(C)[C@H](CCN(C)C(=O)c1ccc(Cn2cc(Cl)cn2)s1)NC(=O)OC(C)(C)C ZINC001444928899 1066518742 /nfs/dbraw/zinc/51/87/42/1066518742.db2.gz DEYCJOZQDKYGGN-KRWDZBQOSA-N 0 0 455.024 4.658 20 0 JJADRN CC[C@@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1)Oc1ccccc1C ZINC001444935377 1066519214 /nfs/dbraw/zinc/51/92/14/1066519214.db2.gz DWOPACIYWKOSJJ-BERHBOFZSA-N 0 0 452.595 4.894 20 0 JJADRN CC(C)c1cccc(OCC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1 ZINC001456137980 1066519342 /nfs/dbraw/zinc/51/93/42/1066519342.db2.gz MJAWKPBYKAMBBW-JAQLMMITSA-N 0 0 452.595 4.930 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001361192283 1066519424 /nfs/dbraw/zinc/51/94/24/1066519424.db2.gz IUXOKSHIOVBJRA-ZBFHGGJFSA-N 0 0 456.940 4.725 20 0 JJADRN Cc1c(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cnn1CCC(C)C ZINC001456140182 1066519698 /nfs/dbraw/zinc/51/96/98/1066519698.db2.gz WQNRAGKVEYGBHK-PGCGBBBBSA-N 0 0 454.615 4.593 20 0 JJADRN Cc1ccc2[nH]c(C(=O)Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)c(Cl)c2c1 ZINC001444943151 1066520583 /nfs/dbraw/zinc/52/05/83/1066520583.db2.gz GYKQSHBHCRZTQI-UHFFFAOYSA-N 0 0 453.951 4.861 20 0 JJADRN O=C(CCCOc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001444947242 1066521029 /nfs/dbraw/zinc/52/10/29/1066521029.db2.gz RQXYRNVFPDOGTP-UHFFFAOYSA-N 0 0 458.967 4.616 20 0 JJADRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2I)C1 ZINC001456145682 1066521068 /nfs/dbraw/zinc/52/10/68/1066521068.db2.gz AQTBJBDUUBUWJH-WCQYABFASA-N 0 0 450.158 4.998 20 0 JJADRN Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001444946633 1066521138 /nfs/dbraw/zinc/52/11/38/1066521138.db2.gz NWYWCAPCOQJQGE-OAQYLSRUSA-N 0 0 459.587 4.882 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2c(F)cccc2OC(F)F)o1 ZINC001361195279 1066521358 /nfs/dbraw/zinc/52/13/58/1066521358.db2.gz AKLYBONGZUOMFG-PXAZEXFGSA-N 0 0 490.404 4.791 20 0 JJADRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H](O)Cc1ccccc1Cl ZINC001444950592 1066521393 /nfs/dbraw/zinc/52/13/93/1066521393.db2.gz AOJPXFFNCVMCNJ-NZQKXSOJSA-N 0 0 458.341 4.574 20 0 JJADRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H](O)Cc1ccccc1Cl ZINC001444950611 1066521413 /nfs/dbraw/zinc/52/14/13/1066521413.db2.gz AOJPXFFNCVMCNJ-REWPJTCUSA-N 0 0 458.341 4.574 20 0 JJADRN CC[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2csc(COC)n2)C1 ZINC001546080046 1066521443 /nfs/dbraw/zinc/52/14/43/1066521443.db2.gz ZODGDSGMSKTGQS-DEOSSOPVSA-N 0 0 455.628 4.752 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)NC[C@@H]3SCCc4ccccc43)cc2)CC1 ZINC001444950753 1066521639 /nfs/dbraw/zinc/52/16/39/1066521639.db2.gz JAEAJCXZWJBIIN-DEOSSOPVSA-N 0 0 451.636 4.788 20 0 JJADRN CC(C)[C@@H](CCN(C)C(=O)c1[nH]c2ccccc2c1Br)NC(=O)OC(C)(C)C ZINC001444954209 1066521953 /nfs/dbraw/zinc/52/19/53/1066521953.db2.gz VNANMBZEPJTEQH-OAHLLOKOSA-N 0 0 452.393 4.942 20 0 JJADRN Cc1ccc(-c2cncc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)c2)cc1 ZINC001456148031 1066522086 /nfs/dbraw/zinc/52/20/86/1066522086.db2.gz PBDYBAMHAVUIHP-UHFFFAOYSA-N 0 0 450.542 4.801 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)noc1C)Oc1ccccc1F ZINC001545970548 1066522042 /nfs/dbraw/zinc/52/20/42/1066522042.db2.gz GROSGSZFKQNYPR-GOSISDBHSA-N 0 0 450.518 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(CC(=O)NC[C@@H]3SCCc4ccccc43)cccc2C1 ZINC001444958201 1066522568 /nfs/dbraw/zinc/52/25/68/1066522568.db2.gz RBPMJUBDAIMTNC-QHCPKHFHSA-N 0 0 452.620 4.669 20 0 JJADRN COC(=O)C(C)(C)c1ccc(NC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC001444958144 1066522593 /nfs/dbraw/zinc/52/25/93/1066522593.db2.gz OEQCSYZFDGNORU-UHFFFAOYSA-N 0 0 454.910 4.809 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N[C@@H](c3ccccc3)c3cccc(S(C)(=O)=O)c3)[nH]n2)cc1C ZINC001444955019 1066522621 /nfs/dbraw/zinc/52/26/21/1066522621.db2.gz KZKWRTHLZAAMPE-VWLOTQADSA-N 0 0 459.571 4.616 20 0 JJADRN COCc1nc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cs1 ZINC001456150010 1066522881 /nfs/dbraw/zinc/52/28/81/1066522881.db2.gz NFQFWQZWZNVQGM-NRFANRHFSA-N 0 0 456.612 4.618 20 0 JJADRN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC001456150030 1066523060 /nfs/dbraw/zinc/52/30/60/1066523060.db2.gz NSYPLCLMRRGGTG-QFIPXVFZSA-N 0 0 453.608 4.644 20 0 JJADRN CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]1CSC)NC(=O)OC(C)(C)C ZINC001545970695 1066523361 /nfs/dbraw/zinc/52/33/61/1066523361.db2.gz KBYDMDXWSKXQSU-SJORKVTESA-N 0 0 463.623 4.719 20 0 JJADRN Cc1noc(C)c1CCNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001456150302 1066523602 /nfs/dbraw/zinc/52/36/02/1066523602.db2.gz RRZAXZQUMHFBEQ-SFHVURJKSA-N 0 0 456.370 4.865 20 0 JJADRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001456152210 1066523847 /nfs/dbraw/zinc/52/38/47/1066523847.db2.gz OUKIBRBREXUEKV-IBGZPJMESA-N 0 0 457.914 4.854 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361196243 1066523858 /nfs/dbraw/zinc/52/38/58/1066523858.db2.gz MMUWANZBLIFHMO-RDTXWAMCSA-N 0 0 454.880 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCc2ccc(Cl)cc2)o1 ZINC001361196240 1066523890 /nfs/dbraw/zinc/52/38/90/1066523890.db2.gz MMUWANZBLIFHMO-KBXCAEBGSA-N 0 0 454.880 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CCSc2ccccc2)o1 ZINC001361196368 1066524050 /nfs/dbraw/zinc/52/40/50/1066524050.db2.gz OZJQZEYSKNLPDB-YLJYHZDGSA-N 0 0 483.638 4.988 20 0 JJADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(SC(F)(F)F)o2)c2ccccc2)c1 ZINC001444965909 1066524098 /nfs/dbraw/zinc/52/40/98/1066524098.db2.gz ZNMPNDMZYOIHPE-SFHVURJKSA-N 0 0 455.479 4.814 20 0 JJADRN Cc1ccc([C@H](NC(=O)c2cn(C)c3ccc(F)cc23)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001444967658 1066524398 /nfs/dbraw/zinc/52/43/98/1066524398.db2.gz FTJDPWALHBRWQI-DEOSSOPVSA-N 0 0 450.535 4.549 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCC2(O)CCC2)cc1Br ZINC001361196606 1066524416 /nfs/dbraw/zinc/52/44/16/1066524416.db2.gz SIMUMHZKGDCURZ-HZPDHXFCSA-N 0 0 465.461 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](O)CC4(CCCC4)C3)n2CCCOC(F)F)cc1Br ZINC001361196738 1066524462 /nfs/dbraw/zinc/52/44/62/1066524462.db2.gz TUFYDNKGGJSIKW-KRWDZBQOSA-N 0 0 499.400 4.777 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCc2cnc(-c3ccccc3)s2)c1 ZINC001456154469 1066524471 /nfs/dbraw/zinc/52/44/71/1066524471.db2.gz DPRPMFFVWLVWIA-QGZVFWFLSA-N 0 0 456.589 4.730 20 0 JJADRN CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2I)C1 ZINC001456152981 1066524484 /nfs/dbraw/zinc/52/44/84/1066524484.db2.gz XXSFWVLOKSWRDA-AAEUAGOBSA-N 0 0 450.158 4.998 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccsc2Br)o1 ZINC001361196887 1066524877 /nfs/dbraw/zinc/52/48/77/1066524877.db2.gz VOKWUKDNESCGGI-RISCZKNCSA-N 0 0 491.333 4.875 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C4CC4)O[C@@H](C)C3)n2CC(F)(F)F)cc1Br ZINC001361196808 1066524921 /nfs/dbraw/zinc/52/49/21/1066524921.db2.gz UPBAPUZPHXZJIZ-LRDDRELGSA-N 0 0 459.310 4.582 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001444974705 1066525164 /nfs/dbraw/zinc/52/51/64/1066525164.db2.gz PHCNTDOYIDDOFB-CYFREDJKSA-N 0 0 458.599 4.543 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC2(C(N)=O)CCCC2)cc1Br ZINC001361197047 1066525387 /nfs/dbraw/zinc/52/53/87/1066525387.db2.gz XHMALXBGKAMORY-HOTGVXAUSA-N 0 0 474.447 4.544 20 0 JJADRN COc1cc(F)cc2sc(NC(=O)C3(CNC(=O)OCc4ccccc4)CCCC3)nc21 ZINC001456159387 1066525819 /nfs/dbraw/zinc/52/58/19/1066525819.db2.gz UXZLSWFWPPEMQR-UHFFFAOYSA-N 0 0 457.527 4.869 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCCS(C)(=O)=O)cc1Br ZINC001361197898 1066525905 /nfs/dbraw/zinc/52/59/05/1066525905.db2.gz AVVNQNLVUJDNQO-UHFFFAOYSA-N 0 0 495.487 4.633 20 0 JJADRN O=C(NCCc1ccc(F)cc1Cl)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001456161737 1066526262 /nfs/dbraw/zinc/52/62/62/1066526262.db2.gz RVMQJJNSBZFTFK-UHFFFAOYSA-N 0 0 456.867 4.709 20 0 JJADRN Cc1ccc(-c2nnc(N3CC=CCC3)n2C[C@@H]2CSCCS2)cc1Br ZINC001361198127 1066526315 /nfs/dbraw/zinc/52/63/15/1066526315.db2.gz JOADBYJUJIYTFB-MRXNPFEDSA-N 0 0 451.459 4.631 20 0 JJADRN C[C@H](C(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)n1nnc(-c2ccccc2)n1 ZINC001456164053 1066526589 /nfs/dbraw/zinc/52/65/89/1066526589.db2.gz LEVFPHHLVHTJOA-MRXNPFEDSA-N 0 0 459.472 4.771 20 0 JJADRN C[C@H](CC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456162929 1066526657 /nfs/dbraw/zinc/52/66/57/1066526657.db2.gz CLRINLQMVSXVJB-MDZRGWNJSA-N 0 0 458.521 4.528 20 0 JJADRN C[C@H](CC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001456162926 1066526753 /nfs/dbraw/zinc/52/67/53/1066526753.db2.gz CLRINLQMVSXVJB-GJYPPUQNSA-N 0 0 458.521 4.528 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NC(C)(C)Cc2cccc(Br)c2)CC1 ZINC001444988066 1066526875 /nfs/dbraw/zinc/52/68/75/1066526875.db2.gz KCZRSHLEBRHYAZ-SAABIXHNSA-N 0 0 453.421 4.970 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001444990122 1066526886 /nfs/dbraw/zinc/52/68/86/1066526886.db2.gz RSEBFRAVZZBVQR-LJQANCHMSA-N 0 0 452.580 4.536 20 0 JJADRN Cc1ccc(-c2nnc(N3Cc4ccccc4O[C@@H](C)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361198217 1066526806 /nfs/dbraw/zinc/52/68/06/1066526806.db2.gz LQNBHBYUEXRFBK-MJGOQNOKSA-N 0 0 481.597 4.889 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001456167729 1066526959 /nfs/dbraw/zinc/52/69/59/1066526959.db2.gz YTVRAHSCYBHHLC-UNMCSNQZSA-N 0 0 456.608 4.666 20 0 JJADRN CCC(CC)(CNC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 ZINC001444990500 1066527041 /nfs/dbraw/zinc/52/70/41/1066527041.db2.gz WHAUOJZXWMLSLZ-JOCHJYFZSA-N 0 0 454.615 4.943 20 0 JJADRN CSc1cccc([C@@H](NC(=O)c2cnn(-c3ccccc3)c2N)c2cc(F)ccc2F)c1 ZINC001444992283 1066527463 /nfs/dbraw/zinc/52/74/63/1066527463.db2.gz FJSBEEVKBZDBAM-JOCHJYFZSA-N 0 0 450.514 4.974 20 0 JJADRN C[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)Sc1ccccc1 ZINC001444993553 1066527481 /nfs/dbraw/zinc/52/74/81/1066527481.db2.gz DYAGMHUOCIRUFZ-QFIXIFRTSA-N 0 0 450.526 4.912 20 0 JJADRN CCCN(C(=O)c1c(Br)nc2n1CCCC2)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001444994061 1066527554 /nfs/dbraw/zinc/52/75/54/1066527554.db2.gz FXXYMXILYWXPHE-SJORKVTESA-N 0 0 452.437 4.962 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCC2CC2)cc1Br ZINC001361198542 1066527690 /nfs/dbraw/zinc/52/76/90/1066527690.db2.gz VYRSSLSEUDLIEG-UHFFFAOYSA-N 0 0 488.474 4.899 20 0 JJADRN CCCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3S(C)(=O)=O)cs2)cc1 ZINC001361198952 1066527696 /nfs/dbraw/zinc/52/76/96/1066527696.db2.gz IDRFJIPVYPHFEY-UHFFFAOYSA-N 0 0 450.969 4.908 20 0 JJADRN CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545971313 1066527913 /nfs/dbraw/zinc/52/79/13/1066527913.db2.gz VPXFVBMTNHPAIA-QGZVFWFLSA-N 0 0 457.500 4.882 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)NCCc3cccc4ccccc43)CC2=O)ccc1Br ZINC001456171201 1066528108 /nfs/dbraw/zinc/52/81/08/1066528108.db2.gz JIIWTZOPRSINOZ-LJQANCHMSA-N 0 0 451.364 4.623 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)o1 ZINC001361199436 1066528203 /nfs/dbraw/zinc/52/82/03/1066528203.db2.gz DWFUKBUNKWJVBS-OKYOBFRVSA-N 0 0 461.582 4.724 20 0 JJADRN CC(C)COc1ccc(C(C)(C)CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC001456171787 1066528359 /nfs/dbraw/zinc/52/83/59/1066528359.db2.gz RRUKWTSQLRDWHH-UHFFFAOYSA-N 0 0 452.016 4.633 20 0 JJADRN COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3ccc4ccccc4c3)c(O)c2)c1 ZINC001444999609 1066528352 /nfs/dbraw/zinc/52/83/52/1066528352.db2.gz OQSBAUFLPIOJBR-UHFFFAOYSA-N 0 0 456.498 4.745 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC001444998150 1066528378 /nfs/dbraw/zinc/52/83/78/1066528378.db2.gz LFSPJPRKZXWMHQ-NRFANRHFSA-N 0 0 450.992 4.758 20 0 JJADRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001361199533 1066528478 /nfs/dbraw/zinc/52/84/78/1066528478.db2.gz SPGKMAJSTWQJLG-UHFFFAOYSA-N 0 0 451.935 4.849 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)c2c(C)noc2C)o1 ZINC001361199529 1066528493 /nfs/dbraw/zinc/52/84/93/1066528493.db2.gz FXWNSQADXWBBST-DMZKTXOQSA-N 0 0 481.519 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)c2c(C)noc2C)o1 ZINC001361199535 1066528540 /nfs/dbraw/zinc/52/85/40/1066528540.db2.gz FXWNSQADXWBBST-XMHCIUCPSA-N 0 0 481.519 4.785 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2Cc2cccc(CO)c2)o1 ZINC001361199759 1066528670 /nfs/dbraw/zinc/52/86/70/1066528670.db2.gz IBNOTKXBLSLIFH-IBGZPJMESA-N 0 0 495.624 4.517 20 0 JJADRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000499 1066529045 /nfs/dbraw/zinc/52/90/45/1066529045.db2.gz MUSXTOBGCLRFIY-PKTZIBPZSA-N 0 0 456.608 4.687 20 0 JJADRN COc1ccccc1SC[C@H](C)CNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001456175677 1066528875 /nfs/dbraw/zinc/52/88/75/1066528875.db2.gz WQJUXOZIZNUGDX-OAHLLOKOSA-N 0 0 457.546 4.806 20 0 JJADRN Cc1oc(Br)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC001456176247 1066529497 /nfs/dbraw/zinc/52/94/97/1066529497.db2.gz VJRQSGKNMAUESH-QGZVFWFLSA-N 0 0 455.780 4.586 20 0 JJADRN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1)NC(=O)OC(C)(C)C ZINC001545971411 1066529648 /nfs/dbraw/zinc/52/96/48/1066529648.db2.gz XFXBMMYRPDBXPX-VKJFTORMSA-N 0 0 451.974 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCNC(=O)c2ccc(C)c(F)c2)o1 ZINC001361200121 1066529646 /nfs/dbraw/zinc/52/96/46/1066529646.db2.gz OAXGRSAFUJJMRQ-IBGZPJMESA-N 0 0 453.562 4.596 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1F ZINC001456177367 1066529849 /nfs/dbraw/zinc/52/98/49/1066529849.db2.gz DMFNYGWESJYGPV-UHFFFAOYSA-N 0 0 454.567 4.550 20 0 JJADRN CCCc1c(C(=O)N[C@H]2CCc3c2cccc3C)nnn1Cc1cccc(Br)c1 ZINC001456177539 1066529898 /nfs/dbraw/zinc/52/98/98/1066529898.db2.gz ZLMDJGTVXAHMRO-FQEVSTJZSA-N 0 0 453.384 4.767 20 0 JJADRN CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C2)cc1 ZINC001445012705 1066530004 /nfs/dbraw/zinc/53/00/04/1066530004.db2.gz VICGKXUZXAROCM-HXUWFJFHSA-N 0 0 455.565 4.966 20 0 JJADRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC001445011298 1066530075 /nfs/dbraw/zinc/53/00/75/1066530075.db2.gz SNWZBKFSWZCERH-OAHLLOKOSA-N 0 0 457.493 4.602 20 0 JJADRN COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC001456178593 1066530398 /nfs/dbraw/zinc/53/03/98/1066530398.db2.gz NBODPUSWPKUGKR-UHFFFAOYSA-N 0 0 451.748 4.990 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2cn[nH]c2)cc1Br ZINC001361200350 1066530516 /nfs/dbraw/zinc/53/05/16/1066530516.db2.gz UGJAMJLSCKYKCE-UHFFFAOYSA-N 0 0 483.336 4.761 20 0 JJADRN CC(C)CCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001361201182 1066530875 /nfs/dbraw/zinc/53/08/75/1066530875.db2.gz SXUVKCJEYVZLJE-UHFFFAOYSA-N 0 0 454.596 4.556 20 0 JJADRN Cc1c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179407 1066530983 /nfs/dbraw/zinc/53/09/83/1066530983.db2.gz NLSKVXLGBFXKCG-QFSBIZTOSA-N 0 0 451.327 4.849 20 0 JJADRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001456180360 1066531017 /nfs/dbraw/zinc/53/10/17/1066531017.db2.gz ZWKJTCGWSPSPST-ZUXXIDCJSA-N 0 0 459.999 4.513 20 0 JJADRN C[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc(C(C)(C)C)cs1 ZINC001456181028 1066531518 /nfs/dbraw/zinc/53/15/18/1066531518.db2.gz UVVNXIMLJDMORH-LBPRGKRZSA-N 0 0 458.634 4.818 20 0 JJADRN CCC1(C(=O)N[C@H](C)c2ccc(SCCOC)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC001456184837 1066531827 /nfs/dbraw/zinc/53/18/27/1066531827.db2.gz JUEDXJJWLDXZFK-HXUWFJFHSA-N 0 0 454.636 4.935 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](c4ccccc4)[C@@H]3C)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361201709 1066532017 /nfs/dbraw/zinc/53/20/17/1066532017.db2.gz HWRDOTNUQVDDNJ-AZUAARDMSA-N 0 0 451.571 4.754 20 0 JJADRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001361202326 1066532464 /nfs/dbraw/zinc/53/24/64/1066532464.db2.gz HILUXKDCDYXRLV-LSDHHAIUSA-N 0 0 454.267 4.888 20 0 JJADRN CC(C)(C)c1ccccc1OCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC001456186123 1066532388 /nfs/dbraw/zinc/53/23/88/1066532388.db2.gz DWZUCVXCFTXEBL-UHFFFAOYSA-N 0 0 456.384 4.800 20 0 JJADRN CS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)C1 ZINC001445041408 1066532377 /nfs/dbraw/zinc/53/23/77/1066532377.db2.gz SZVPRNSBMKCLBS-UONOGXRCSA-N 0 0 451.386 4.675 20 0 JJADRN O=C(CCc1nccs1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC001445042070 1066532433 /nfs/dbraw/zinc/53/24/33/1066532433.db2.gz AAUNMMNLDKEPTB-UHFFFAOYSA-N 0 0 456.376 4.822 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001456185633 1066532567 /nfs/dbraw/zinc/53/25/67/1066532567.db2.gz AXAAMGUZLZPSEE-LJQANCHMSA-N 0 0 456.970 4.895 20 0 JJADRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CN(C)C(=O)c2ccc(Br)s2)o1 ZINC001361202583 1066532911 /nfs/dbraw/zinc/53/29/11/1066532911.db2.gz JZAFSWYZLREUIA-ZFWWWQNUSA-N 0 0 453.402 4.738 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)n2CCC(C)(C)O)cc1Br ZINC001361204084 1066534250 /nfs/dbraw/zinc/53/42/50/1066534250.db2.gz LLZHIHIUTKGDFQ-FQEVSTJZSA-N 0 0 477.447 4.572 20 0 JJADRN COC(=O)CCCOc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1 ZINC001456195209 1066534384 /nfs/dbraw/zinc/53/43/84/1066534384.db2.gz MENUKFBJYGJBFW-UHFFFAOYSA-N 0 0 457.939 4.866 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2Cc2ccc([C@H](C)O)cc2)o1 ZINC001361204124 1066534697 /nfs/dbraw/zinc/53/46/97/1066534697.db2.gz MZESPVYYORDDJA-PZJWPPBQSA-N 0 0 495.624 4.641 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1 ZINC001445055233 1066534881 /nfs/dbraw/zinc/53/48/81/1066534881.db2.gz QCWTURFBSRLNAV-DYESRHJHSA-N 0 0 452.576 4.684 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361204352 1066535008 /nfs/dbraw/zinc/53/50/08/1066535008.db2.gz UABKZQMBQUVRKL-ZWKOTPCHSA-N 0 0 467.536 4.835 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361204349 1066535113 /nfs/dbraw/zinc/53/51/13/1066535113.db2.gz UABKZQMBQUVRKL-MSOLQXFVSA-N 0 0 467.536 4.835 20 0 JJADRN Cc1cc2c(cc1Br)CN(C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001456199030 1066535302 /nfs/dbraw/zinc/53/53/02/1066535302.db2.gz TZSSRBOGVCDMHP-JOCHJYFZSA-N 0 0 451.405 4.679 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](Cc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361204318 1066535201 /nfs/dbraw/zinc/53/52/01/1066535201.db2.gz SMHLZVKEROEBEL-INIZCTEOSA-N 0 0 451.315 4.903 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCCOC(F)F)cc1Br ZINC001361204455 1066535520 /nfs/dbraw/zinc/53/55/20/1066535520.db2.gz WYLXWANJWSRABO-GOSISDBHSA-N 0 0 499.400 4.898 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CC[C@@H](C)C2)cc1Br ZINC001361204530 1066535530 /nfs/dbraw/zinc/53/55/30/1066535530.db2.gz ZEFFHRZBUIRLMI-VQIMIIECSA-N 0 0 488.474 4.934 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001445060148 1066535820 /nfs/dbraw/zinc/53/58/20/1066535820.db2.gz VSAADUQSYLMSDO-GFCCVEGCSA-N 0 0 455.750 4.841 20 0 JJADRN Cc1nc(NC(=O)c2cc(OCc3ccccc3)cs2)ccc1I ZINC001361204784 1066535874 /nfs/dbraw/zinc/53/58/74/1066535874.db2.gz JLJROXKFUCMKMZ-UHFFFAOYSA-N 0 0 450.301 4.887 20 0 JJADRN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001445060149 1066535887 /nfs/dbraw/zinc/53/58/87/1066535887.db2.gz VSAADUQSYLMSDO-LBPRGKRZSA-N 0 0 455.750 4.841 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@H](C)Cc2ccc(Br)cc2)n1 ZINC001456201799 1066536700 /nfs/dbraw/zinc/53/67/00/1066536700.db2.gz XXLXFDFOSKVUNB-OAHLLOKOSA-N 0 0 456.340 4.629 20 0 JJADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2cnc(-c3c(F)cccc3F)s2)n1 ZINC001456202185 1066536854 /nfs/dbraw/zinc/53/68/54/1066536854.db2.gz ZTBFXQOHYAPTNQ-UHFFFAOYSA-N 0 0 454.458 4.703 20 0 JJADRN C[C@H](C(=O)N1CC(OCCCc2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001445079338 1066536730 /nfs/dbraw/zinc/53/67/30/1066536730.db2.gz MIJDFQTVSYSWBK-GBXCKJPGSA-N 0 0 452.595 4.749 20 0 JJADRN C[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)Nc1ccccc1 ZINC001456201089 1066536910 /nfs/dbraw/zinc/53/69/10/1066536910.db2.gz MLIGQHYHRLKZSP-IERDGZPVSA-N 0 0 453.336 4.713 20 0 JJADRN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC001456204160 1066537307 /nfs/dbraw/zinc/53/73/07/1066537307.db2.gz AIVFOELVXXJNSB-JTSKRJEESA-N 0 0 452.576 4.688 20 0 JJADRN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)COc1ccc2ccccc2c1Br ZINC001445083736 1066537369 /nfs/dbraw/zinc/53/73/69/1066537369.db2.gz YWQSYUDVLRPYCJ-UHFFFAOYSA-N 0 0 450.373 4.998 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456204495 1066537336 /nfs/dbraw/zinc/53/73/36/1066537336.db2.gz SPRFEPHOWYAKJQ-SFHVURJKSA-N 0 0 454.336 4.829 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)C1 ZINC001445083620 1066537443 /nfs/dbraw/zinc/53/74/43/1066537443.db2.gz SJCVPFAXOLBKNU-LJQANCHMSA-N 0 0 456.587 4.965 20 0 JJADRN COc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)ccc1OC1CCCC1 ZINC001445085062 1066538024 /nfs/dbraw/zinc/53/80/24/1066538024.db2.gz AXKCFCLZWAIUPK-QGZVFWFLSA-N 0 0 456.558 4.608 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CC(C)C)cc1Br ZINC001361205797 1066538003 /nfs/dbraw/zinc/53/80/03/1066538003.db2.gz SPVNRQDDJCZLKM-UHFFFAOYSA-N 0 0 457.420 4.785 20 0 JJADRN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N(c1ccccc1)C1CCCC1 ZINC001456209383 1066538186 /nfs/dbraw/zinc/53/81/86/1066538186.db2.gz GMXKQHZWVATOGK-UHFFFAOYSA-N 0 0 455.352 4.801 20 0 JJADRN COc1cc(/C=C\C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc(Br)c1O ZINC001456212581 1066538491 /nfs/dbraw/zinc/53/84/91/1066538491.db2.gz RWSOCJUKMUEBMG-BYCRGOAPSA-N 0 0 452.732 4.642 20 0 JJADRN Cc1ccc(NCCCNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)nc1 ZINC001445089887 1066538562 /nfs/dbraw/zinc/53/85/62/1066538562.db2.gz JAUBEWVTRLIMIV-JOCHJYFZSA-N 0 0 454.368 4.891 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cnc2ncc(Br)cc2c1 ZINC001456214997 1066538948 /nfs/dbraw/zinc/53/89/48/1066538948.db2.gz STADCGYOBDJYOS-UHFFFAOYSA-N 0 0 456.687 4.880 20 0 JJADRN C[C@@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001445094657 1066539089 /nfs/dbraw/zinc/53/90/89/1066539089.db2.gz PVBODVRJJPMRJE-CQSZACIVSA-N 0 0 455.357 4.740 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1Br ZINC001361207106 1066539173 /nfs/dbraw/zinc/53/91/73/1066539173.db2.gz JFQHFWSCUDCXQT-RDJZCZTQSA-N 0 0 469.374 4.803 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC001456216024 1066539515 /nfs/dbraw/zinc/53/95/15/1066539515.db2.gz RMHRSOSKWOFTFR-INIZCTEOSA-N 0 0 459.340 4.852 20 0 JJADRN CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC001456217531 1066539531 /nfs/dbraw/zinc/53/95/31/1066539531.db2.gz WGUKGJQVIKDKGQ-SFHVURJKSA-N 0 0 452.580 4.682 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N(CC)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001545972153 1066539687 /nfs/dbraw/zinc/53/96/87/1066539687.db2.gz AHTLJLJEXHWSNS-NRFANRHFSA-N 0 0 450.587 4.670 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2F)o1 ZINC001361207151 1066539730 /nfs/dbraw/zinc/53/97/30/1066539730.db2.gz LBCDRLHMYFGJCC-GOSISDBHSA-N 0 0 473.524 4.619 20 0 JJADRN Cc1cccc(Oc2cc(CNC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccn2)c1C ZINC001445132731 1066540208 /nfs/dbraw/zinc/54/02/08/1066540208.db2.gz RPDYPNUNXGQJDW-UHFFFAOYSA-N 0 0 458.345 4.844 20 0 JJADRN CN(C)C(=O)c1cc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc1F ZINC001445129301 1066540223 /nfs/dbraw/zinc/54/02/23/1066540223.db2.gz LAKSEJIZUWFBOG-FQEVSTJZSA-N 0 0 457.546 4.758 20 0 JJADRN Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)Oc2cccc(F)c2)o1 ZINC001361207330 1066540150 /nfs/dbraw/zinc/54/01/50/1066540150.db2.gz QBJPVJRKBRUGPX-QUCCMNQESA-N 0 0 499.587 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCc2ccc(N(C)C)cc2)o1 ZINC001361207306 1066540165 /nfs/dbraw/zinc/54/01/65/1066540165.db2.gz PJMHUESXAFVSNC-UHFFFAOYSA-N 0 0 494.640 4.649 20 0 JJADRN CC(C)c1ccc(C2(CNC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)CCCC2)cc1 ZINC001456221736 1066540390 /nfs/dbraw/zinc/54/03/90/1066540390.db2.gz YIOPSFNOHGMVPY-MHZLTWQESA-N 0 0 453.627 4.629 20 0 JJADRN CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545972262 1066540720 /nfs/dbraw/zinc/54/07/20/1066540720.db2.gz CFDOKYHAQLPYOE-QGZVFWFLSA-N 0 0 459.516 4.825 20 0 JJADRN C[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)[C@H]1CNC(=O)OC(C)(C)C ZINC001445158746 1066541207 /nfs/dbraw/zinc/54/12/07/1066541207.db2.gz PFNTYUJPPBRZKY-DYVFJYSZSA-N 0 0 450.377 4.696 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(Oc4ncccc4F)CC3)n2CCSCC(C)C)o1 ZINC001361208578 1066541326 /nfs/dbraw/zinc/54/13/26/1066541326.db2.gz BIVQWCUDSSNVDP-UHFFFAOYSA-N 0 0 459.591 4.818 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCO[C@@H](C)c2ccccc2)o1 ZINC001361208554 1066541394 /nfs/dbraw/zinc/54/13/94/1066541394.db2.gz BDSNMDQNPSZLPH-SFHVURJKSA-N 0 0 478.515 4.908 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)o1 ZINC001361209060 1066541726 /nfs/dbraw/zinc/54/17/26/1066541726.db2.gz KHGJKEVHAMBECW-XMMPIXPASA-N 0 0 458.990 4.801 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC2(O)CC2)cc1Br ZINC001361209080 1066542213 /nfs/dbraw/zinc/54/22/13/1066542213.db2.gz KRWWUSNQRQJXKO-UHFFFAOYSA-N 0 0 477.447 4.572 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC(OCc4ccccc4F)CC3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001361209198 1066542240 /nfs/dbraw/zinc/54/22/40/1066542240.db2.gz OSWHCHCZGADFLE-UHFFFAOYSA-N 0 0 499.587 4.696 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cnn(CC)c2Br)cc1 ZINC001456238860 1066542333 /nfs/dbraw/zinc/54/23/33/1066542333.db2.gz FAXXPEQUZZWCAH-MOPGFXCFSA-N 0 0 450.377 4.574 20 0 JJADRN O=C(c1cc2c([nH]1)c(Cl)ccc2Br)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001445173341 1066542869 /nfs/dbraw/zinc/54/28/69/1066542869.db2.gz MMSIDMBRNBRTPB-AWEZNQCLSA-N 0 0 455.780 4.774 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCOc2ccc(F)c(F)c2)o1 ZINC001361210119 1066543308 /nfs/dbraw/zinc/54/33/08/1066543308.db2.gz AZHBTBGCWDCAJD-CQSZACIVSA-N 0 0 456.415 4.982 20 0 JJADRN O=C(CC1CCC2(CC1)OCCO2)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001456241526 1066543161 /nfs/dbraw/zinc/54/31/61/1066543161.db2.gz QKGBDEHBCZIYJB-UHFFFAOYSA-N 0 0 457.954 4.541 20 0 JJADRN CC(C)n1cc([C@H](C)NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cn1 ZINC001456241616 1066543277 /nfs/dbraw/zinc/54/32/77/1066543277.db2.gz LTQMKAVRFTYULM-HNNXBMFYSA-N 0 0 455.356 4.970 20 0 JJADRN CC(C)n1cc([C@H](C)NC(=O)C[C@@H](C)CCc2ccc(I)cc2)cn1 ZINC001456241742 1066543698 /nfs/dbraw/zinc/54/36/98/1066543698.db2.gz MARCJHZLXXGICY-HOTGVXAUSA-N 0 0 453.368 4.905 20 0 JJADRN O=C(CC1(Cn2cnnn2)CCCCC1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001445176786 1066543720 /nfs/dbraw/zinc/54/37/20/1066543720.db2.gz VSGAHEOXLMXHKM-UHFFFAOYSA-N 0 0 450.414 4.802 20 0 JJADRN CC[C@H]1CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)[C@@H](CC)CN1C(C)=O ZINC001445182572 1066543796 /nfs/dbraw/zinc/54/37/96/1066543796.db2.gz IOIFRXDETMJGLU-SFTDATJTSA-N 0 0 450.608 4.717 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)o1 ZINC001361210574 1066544130 /nfs/dbraw/zinc/54/41/30/1066544130.db2.gz OMYWNCIVMKRSPN-FQEVSTJZSA-N 0 0 450.587 4.861 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3sc(-c4ccc(Cl)cc4)nc3C)C2)c1 ZINC001361211033 1066544682 /nfs/dbraw/zinc/54/46/82/1066544682.db2.gz GDUQKNFXFNPCSU-KRWDZBQOSA-N 0 0 457.983 4.798 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545972558 1066544785 /nfs/dbraw/zinc/54/47/85/1066544785.db2.gz IFBHMMZCDDTAMW-GGAORHGYSA-N 0 0 492.624 4.691 20 0 JJADRN CCc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC001445192067 1066544862 /nfs/dbraw/zinc/54/48/62/1066544862.db2.gz ZWOGEUOFOFNGBS-UHFFFAOYSA-N 0 0 454.567 4.897 20 0 JJADRN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC001456245100 1066544743 /nfs/dbraw/zinc/54/47/43/1066544743.db2.gz OJMHJORHRKQWRT-ZEQRLZLVSA-N 0 0 459.608 4.616 20 0 JJADRN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1 ZINC001456245091 1066544808 /nfs/dbraw/zinc/54/48/08/1066544808.db2.gz OJMHJORHRKQWRT-BJKOFHAPSA-N 0 0 459.608 4.616 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](c4nc(C)c(C)s4)C3)n2CCCCCS(C)(=O)=O)o1 ZINC001361211773 1066545485 /nfs/dbraw/zinc/54/54/85/1066545485.db2.gz ACZRJCVYFLLJIR-LJQANCHMSA-N 0 0 491.683 4.519 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCC(C)C)C1)Oc1cccc(F)c1 ZINC001545972613 1066545688 /nfs/dbraw/zinc/54/56/88/1066545688.db2.gz JEEFZYSYRQGQFK-RBBKRZOGSA-N 0 0 455.578 4.532 20 0 JJADRN CN(CC(C)(C)O)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC001445213916 1066545838 /nfs/dbraw/zinc/54/58/38/1066545838.db2.gz ICVVBJCDZCKRDC-UHFFFAOYSA-N 0 0 452.624 4.553 20 0 JJADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccsc3-n3c(C)ccc3C)CC2)cs1 ZINC001445218783 1066546184 /nfs/dbraw/zinc/54/61/84/1066546184.db2.gz XQFNYFZZUMJJLR-SFHVURJKSA-N 0 0 458.653 4.668 20 0 JJADRN COC[C@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC001456251305 1066546601 /nfs/dbraw/zinc/54/66/01/1066546601.db2.gz VWQTVOVUZKMXEC-FQEVSTJZSA-N 0 0 450.501 4.941 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC001445220023 1066546652 /nfs/dbraw/zinc/54/66/52/1066546652.db2.gz WWLCOJVJHGSHAQ-HNNXBMFYSA-N 0 0 453.974 4.829 20 0 JJADRN COC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1)c1cccc(C(F)(F)F)c1 ZINC001456251554 1066546901 /nfs/dbraw/zinc/54/69/01/1066546901.db2.gz WURWIOJTIHZHTG-GHTZIAJQSA-N 0 0 456.464 4.715 20 0 JJADRN COc1cccc(C(NC(=O)c2nc(C(F)(F)F)n3ccccc23)c2cccc(OC)c2)c1 ZINC001445222561 1066547051 /nfs/dbraw/zinc/54/70/51/1066547051.db2.gz OBKRFFYMRPIYFP-UHFFFAOYSA-N 0 0 455.436 4.890 20 0 JJADRN O=C(CCc1cccc2c1OCO2)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC001456253684 1066547501 /nfs/dbraw/zinc/54/75/01/1066547501.db2.gz WIPMKVINIBYKFY-UHFFFAOYSA-N 0 0 458.301 4.941 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)nnc1-c1cccs1 ZINC001456253695 1066547599 /nfs/dbraw/zinc/54/75/99/1066547599.db2.gz WWUHYHFGVKJNAI-UHFFFAOYSA-N 0 0 457.625 4.514 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC(C)(C)OC(C)(C)C1)Oc1cccc(F)c1 ZINC001545972859 1066548052 /nfs/dbraw/zinc/54/80/52/1066548052.db2.gz OCBYIYFCCPIWHV-FQEVSTJZSA-N 0 0 453.562 4.731 20 0 JJADRN CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC001545972875 1066548090 /nfs/dbraw/zinc/54/80/90/1066548090.db2.gz OKCOCJIDNGSYBS-FQEVSTJZSA-N 0 0 482.629 4.540 20 0 JJADRN COc1cc(/C=C/C(=O)Nc2ccccc2-c2nncn2C(C)C)cc(Br)c1O ZINC001445230003 1066548116 /nfs/dbraw/zinc/54/81/16/1066548116.db2.gz XPDKDMRKUZXSAE-CMDGGOBGSA-N 0 0 457.328 4.655 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](Cc4noc(C)n4)C3)n2CCCSCC(C)C)o1 ZINC001361213504 1066548338 /nfs/dbraw/zinc/54/83/38/1066548338.db2.gz YHVIEFZOTUHYFV-IBGZPJMESA-N 0 0 458.632 4.776 20 0 JJADRN O=C(CCc1ccccc1)N1CCC(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001456256650 1066548292 /nfs/dbraw/zinc/54/82/92/1066548292.db2.gz WSHFQYVHFXHECJ-QHCPKHFHSA-N 0 0 457.039 4.828 20 0 JJADRN C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001456261549 1066548300 /nfs/dbraw/zinc/54/83/00/1066548300.db2.gz ZFCVHCQHJQYUMC-INIZCTEOSA-N 0 0 459.537 4.821 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(C(C)(C)C)n2Cc2cccnc2Oc2cccc(F)c2)CCO1 ZINC001546081103 1066548837 /nfs/dbraw/zinc/54/88/37/1066548837.db2.gz ISTLXBPBMXFSJS-VWLOTQADSA-N 0 0 453.562 4.956 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262332 1066548892 /nfs/dbraw/zinc/54/88/92/1066548892.db2.gz DSOZOQXVUVOIGI-ICSRJNTNSA-N 0 0 453.888 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)C1 ZINC001456262846 1066548899 /nfs/dbraw/zinc/54/88/99/1066548899.db2.gz FLSAOKCZKBNGCH-BPUTZDHNSA-N 0 0 453.860 4.952 20 0 JJADRN COc1ccc(CNC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)c(OC2CCCC2)c1 ZINC001445243166 1066548953 /nfs/dbraw/zinc/54/89/53/1066548953.db2.gz WOEUJEROXUJYME-UHFFFAOYSA-N 0 0 452.580 4.519 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCCO[C@H](C)c2ccccc2)o1 ZINC001361214020 1066549001 /nfs/dbraw/zinc/54/90/01/1066549001.db2.gz HHUDWWZBCBPDQQ-FYYLOGMGSA-N 0 0 479.625 4.755 20 0 JJADRN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001445242600 1066549029 /nfs/dbraw/zinc/54/90/29/1066549029.db2.gz OJRQHSOMMYOFEN-SFHVURJKSA-N 0 0 453.388 4.858 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCCOC2CCCC2)o1 ZINC001361213924 1066549284 /nfs/dbraw/zinc/54/92/84/1066549284.db2.gz DTUIUAYGCLCEFY-HXUWFJFHSA-N 0 0 487.645 4.937 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001445264118 1066549478 /nfs/dbraw/zinc/54/94/78/1066549478.db2.gz PXXCTGRUZAOVIE-AREMUKBSSA-N 0 0 452.599 4.596 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CCc2nc(C)c(C)s2)o1 ZINC001361214134 1066549705 /nfs/dbraw/zinc/54/97/05/1066549705.db2.gz JKBKVRJBCPBCFG-SFHVURJKSA-N 0 0 486.642 4.656 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](Oc4ccccc4)C3)n2CC(F)(F)Br)o1 ZINC001361214292 1066550180 /nfs/dbraw/zinc/55/01/80/1066550180.db2.gz MCOIFQVDVYLSAK-INIZCTEOSA-N 0 0 467.314 4.882 20 0 JJADRN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC001445268172 1066550300 /nfs/dbraw/zinc/55/03/00/1066550300.db2.gz FEJVRNDZBILXMP-XUWXXGDYSA-N 0 0 453.391 4.523 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)c2ccccc21 ZINC001456268944 1066550727 /nfs/dbraw/zinc/55/07/27/1066550727.db2.gz QLABKTOYGCIKFJ-MDZRGWNJSA-N 0 0 456.505 4.922 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361214594 1066550780 /nfs/dbraw/zinc/55/07/80/1066550780.db2.gz SKKIFANOORGQSQ-SFHVURJKSA-N 0 0 475.634 4.934 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC001445269586 1066550637 /nfs/dbraw/zinc/55/06/37/1066550637.db2.gz HAFSJLLCDWZRME-IBGZPJMESA-N 0 0 454.621 4.808 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H]2CCCCC2(F)F)o1 ZINC001361214657 1066551088 /nfs/dbraw/zinc/55/10/88/1066551088.db2.gz ULUNVHFKWCBMPY-QZTJIDSGSA-N 0 0 463.573 4.803 20 0 JJADRN CSc1cccc(N2C[C@H](C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)CC2=O)c1 ZINC001445272940 1066551228 /nfs/dbraw/zinc/55/12/28/1066551228.db2.gz LXUBXFBYNGLKOQ-IRLDBZIGSA-N 0 0 450.604 4.806 20 0 JJADRN O=C(C[C@H]1CCCCCN1C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccccc1 ZINC001445271124 1066551262 /nfs/dbraw/zinc/55/12/62/1066551262.db2.gz KJYDIEODQRCZRC-GOSISDBHSA-N 0 0 456.468 4.944 20 0 JJADRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC001445271098 1066551328 /nfs/dbraw/zinc/55/13/28/1066551328.db2.gz KCNKCEWWTHBKMF-QFIPXVFZSA-N 0 0 458.562 4.529 20 0 JJADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c1 ZINC001456270616 1066551292 /nfs/dbraw/zinc/55/12/92/1066551292.db2.gz ZINLRWPTQULUEN-RTBURBONSA-N 0 0 457.832 4.567 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C(C)(C)O)c2)o1 ZINC001361214885 1066552134 /nfs/dbraw/zinc/55/21/34/1066552134.db2.gz ZGIGWQZLIGSGEU-OAQYLSRUSA-N 0 0 495.624 4.616 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973246 1066552236 /nfs/dbraw/zinc/55/22/36/1066552236.db2.gz VFOCPVUXWVSOLW-YADHBBJMSA-N 0 0 462.598 4.985 20 0 JJADRN O=C(C[C@@H]1CCCN1C(=O)c1cc(Br)ncc1Br)c1cccs1 ZINC001445279276 1066552373 /nfs/dbraw/zinc/55/23/73/1066552373.db2.gz WBJPMEDKFVDWLN-JTQLQIEISA-N 0 0 458.175 4.546 20 0 JJADRN Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC3)c1 ZINC001361216120 1066552552 /nfs/dbraw/zinc/55/25/52/1066552552.db2.gz WXJZZWNPTVESFH-GOSISDBHSA-N 0 0 456.512 4.929 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001361216288 1066552608 /nfs/dbraw/zinc/55/26/08/1066552608.db2.gz NLCZGPHSQHKEPA-RBZFPXEDSA-N 0 0 452.979 4.609 20 0 JJADRN CC[C@H](CNC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1)Oc1ccccc1C(F)(F)F ZINC001445282275 1066552931 /nfs/dbraw/zinc/55/29/31/1066552931.db2.gz BULISBUHZNROTH-GCJKJVERSA-N 0 0 450.501 4.883 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCCC(=O)NC2CC2)cc1Br ZINC001361217577 1066553339 /nfs/dbraw/zinc/55/33/39/1066553339.db2.gz FESSQYHMDWEWCY-HXUWFJFHSA-N 0 0 474.447 4.700 20 0 JJADRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC001445286627 1066553369 /nfs/dbraw/zinc/55/33/69/1066553369.db2.gz PBQOBFPWJZEKQA-SFHVURJKSA-N 0 0 454.617 4.953 20 0 JJADRN COc1cccc(-c2cc(CNC(=O)c3cc(C)nc4cc(Br)ccc43)on2)c1 ZINC001456275570 1066553455 /nfs/dbraw/zinc/55/34/55/1066553455.db2.gz AERKQXFIMNUXLN-UHFFFAOYSA-N 0 0 452.308 4.899 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[C@@H]2CCCCO2)cc1Br ZINC001361217764 1066553517 /nfs/dbraw/zinc/55/35/17/1066553517.db2.gz MFAGMCPZYNBDJH-QUCCMNQESA-N 0 0 477.447 4.981 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc(S(=O)(=O)N(C)C)c1C ZINC001456281018 1066554272 /nfs/dbraw/zinc/55/42/72/1066554272.db2.gz LAPVKLKUKXVDDY-UHFFFAOYSA-N 0 0 452.576 4.693 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)C1CCCCC1 ZINC001456278749 1066554537 /nfs/dbraw/zinc/55/45/37/1066554537.db2.gz MSOYXZZIRHLNOT-QFIPXVFZSA-N 0 0 453.583 4.864 20 0 JJADRN CCCC[C@H](CCC)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F ZINC001445292720 1066554891 /nfs/dbraw/zinc/55/48/91/1066554891.db2.gz PSGRNMNWJSDEOV-HNNXBMFYSA-N 0 0 457.566 4.876 20 0 JJADRN CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973397 1066554924 /nfs/dbraw/zinc/55/49/24/1066554924.db2.gz YIYZDEHQGCIRCJ-RXVVDRJESA-N 0 0 450.587 4.841 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCCCC3)n2CCN2CCOC(C)(C)C2)cc1Br ZINC001361218577 1066554975 /nfs/dbraw/zinc/55/49/75/1066554975.db2.gz NWGOSDJUVUEBRB-UHFFFAOYSA-N 0 0 476.463 4.507 20 0 JJADRN CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C ZINC001545973395 1066555017 /nfs/dbraw/zinc/55/50/17/1066555017.db2.gz YIYZDEHQGCIRCJ-GHTZIAJQSA-N 0 0 450.587 4.841 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCO[C@@H](c4ccccc4)C3)n2CCOCC(F)(F)C(F)F)o1 ZINC001361218878 1066555758 /nfs/dbraw/zinc/55/57/58/1066555758.db2.gz WAOMNOOVNUPESV-LJQANCHMSA-N 0 0 482.478 4.732 20 0 JJADRN CC[C@H](C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Br)cc1 ZINC001456285664 1066555769 /nfs/dbraw/zinc/55/57/69/1066555769.db2.gz UJHTWTKCPNXXAJ-IRXDYDNUSA-N 0 0 453.327 4.939 20 0 JJADRN CC[C@@H](C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(Br)cc1 ZINC001456285654 1066555885 /nfs/dbraw/zinc/55/58/85/1066555885.db2.gz UJHTWTKCPNXXAJ-DLBZAZTESA-N 0 0 453.327 4.939 20 0 JJADRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001361219333 1066556292 /nfs/dbraw/zinc/55/62/92/1066556292.db2.gz YEFGKOPECSMWLJ-UHFFFAOYSA-N 0 0 458.139 4.979 20 0 JJADRN Cc1ccc(-c2nnc(N3CCCOCC3)n2CCC[C@@H]2CCCCO2)cc1Br ZINC001361219628 1066556328 /nfs/dbraw/zinc/55/63/28/1066556328.db2.gz IMVDUTYHCZJHMP-IBGZPJMESA-N 0 0 463.420 4.592 20 0 JJADRN Cc1ccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001361219155 1066556369 /nfs/dbraw/zinc/55/63/69/1066556369.db2.gz UHRHVDPOWDNCTK-OAQYLSRUSA-N 0 0 465.598 4.925 20 0 JJADRN CCOc1ccc(-c2nc(CC(=O)Nc3cccc(CS(=O)(=O)C(C)C)c3)cs2)cc1 ZINC001456288645 1066556404 /nfs/dbraw/zinc/55/64/04/1066556404.db2.gz DEEQJTCYCXXYQT-UHFFFAOYSA-N 0 0 458.605 4.713 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NC[C@H](c3ccc(Cl)cc3)n3cccn3)c2)n1 ZINC001445316467 1066556561 /nfs/dbraw/zinc/55/65/61/1066556561.db2.gz ZXTANFFQQLETRB-OAQYLSRUSA-N 0 0 451.983 4.933 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001545973751 1066556661 /nfs/dbraw/zinc/55/66/61/1066556661.db2.gz HAOCFUHWBXVOHX-NHCUHLMSSA-N 0 0 458.331 4.502 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2Cc2cccc(OCC(C)C)c2)o1 ZINC001361219986 1066556669 /nfs/dbraw/zinc/55/66/69/1066556669.db2.gz ZVCWROCUUKVGGU-UHFFFAOYSA-N 0 0 479.625 4.624 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361219839 1066556865 /nfs/dbraw/zinc/55/68/65/1066556865.db2.gz RXJACAPVKBONLH-MHZLTWQESA-N 0 0 485.673 4.653 20 0 JJADRN CCCOC1(CNC(=O)c2c(F)ccc(I)c2Cl)CCCCC1 ZINC001445322482 1066557174 /nfs/dbraw/zinc/55/71/74/1066557174.db2.gz IJVNHXXGGNCOIU-UHFFFAOYSA-N 0 0 453.723 4.943 20 0 JJADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC001445332084 1066557743 /nfs/dbraw/zinc/55/77/43/1066557743.db2.gz SFAVLJVSRISECK-UHFFFAOYSA-N 0 0 452.595 4.741 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)Oc2ccccc2C)o1 ZINC001361220736 1066557907 /nfs/dbraw/zinc/55/79/07/1066557907.db2.gz BVRHGICYTMZENZ-HXUWFJFHSA-N 0 0 481.597 4.680 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001456299346 1066557967 /nfs/dbraw/zinc/55/79/67/1066557967.db2.gz NLPSZMHWWJTQGF-UHFFFAOYSA-N 0 0 459.365 4.706 20 0 JJADRN CN(C)C(=O)C1(CNC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)CCCC1 ZINC001456298869 1066558159 /nfs/dbraw/zinc/55/81/59/1066558159.db2.gz ARXHEVMJPAJVOT-UHFFFAOYSA-N 0 0 453.633 4.846 20 0 JJADRN Cc1ccc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1N1CCOC1=O ZINC001445333142 1066558166 /nfs/dbraw/zinc/55/81/66/1066558166.db2.gz VNCJBNYEMJJIQV-QGZVFWFLSA-N 0 0 451.523 4.819 20 0 JJADRN O=C(CC1(CC(=O)N2CCC(C(=O)c3cccs3)CC2)CCCCC1)Nc1nccs1 ZINC001445332894 1066558193 /nfs/dbraw/zinc/55/81/93/1066558193.db2.gz HWKNNCMLKOFOFY-UHFFFAOYSA-N 0 0 459.637 4.995 20 0 JJADRN CO[C@@H](C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1)C(=O)OC(C)(C)C ZINC001456301105 1066558367 /nfs/dbraw/zinc/55/83/67/1066558367.db2.gz QVKDFQDHWQLZKI-NRFANRHFSA-N 0 0 453.539 4.505 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC4(C3)CO[C@H](C)C4)c2)cc1 ZINC001456302210 1066558525 /nfs/dbraw/zinc/55/85/25/1066558525.db2.gz KIUZGLUIXHMWOI-KJIJUEMSSA-N 0 0 456.608 4.517 20 0 JJADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC001445338258 1066558752 /nfs/dbraw/zinc/55/87/52/1066558752.db2.gz MMNQXKUPPFYFRR-AWEZNQCLSA-N 0 0 457.361 4.526 20 0 JJADRN COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2CCC(OCC3CCCC3)CC2)cc1 ZINC001445337630 1066558926 /nfs/dbraw/zinc/55/89/26/1066558926.db2.gz QJUWYCJDAORMFX-UHFFFAOYSA-N 0 0 454.542 4.898 20 0 JJADRN C[C@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ccccc1Br ZINC001445337182 1066558993 /nfs/dbraw/zinc/55/89/93/1066558993.db2.gz KZQVSGMSPMHUDK-PBHICJAKSA-N 0 0 457.409 4.662 20 0 JJADRN C[C@@H](CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341105 1066559474 /nfs/dbraw/zinc/55/94/74/1066559474.db2.gz YLOBIMPDUPZPBN-KXBFYZLASA-N 0 0 451.792 4.651 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2Cc2ccc(OC(C)C)nc2)o1 ZINC001361221125 1066559468 /nfs/dbraw/zinc/55/94/68/1066559468.db2.gz OGVIDMDOZWRHFW-GOSISDBHSA-N 0 0 496.612 4.523 20 0 JJADRN O=C(CCOc1cc(Cl)ccc1Cl)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001445342257 1066560053 /nfs/dbraw/zinc/56/00/53/1066560053.db2.gz BLCANMQVSIBCHF-KRWDZBQOSA-N 0 0 456.675 4.982 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H]2CCCCC2(F)F)o1 ZINC001361221457 1066560452 /nfs/dbraw/zinc/56/04/52/1066560452.db2.gz YWLRTMXJIXLJLV-JKSUJKDBSA-N 0 0 461.479 4.745 20 0 JJADRN C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001361221657 1066560639 /nfs/dbraw/zinc/56/06/39/1066560639.db2.gz FOZKYXRUZGSBAN-QUCCMNQESA-N 0 0 459.512 4.619 20 0 JJADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001545974046 1066561148 /nfs/dbraw/zinc/56/11/48/1066561148.db2.gz NLIAUOOQRBSHHG-VRUMLPLGSA-N 0 0 456.558 4.680 20 0 JJADRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2c[nH]c3ncc(Br)cc23)n1 ZINC001445350526 1066561189 /nfs/dbraw/zinc/56/11/89/1066561189.db2.gz XVDWSIJYKICFJN-UHFFFAOYSA-N 0 0 450.340 4.575 20 0 JJADRN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC[C@H]3Cc3ccc(C)cc3)cc2)c1 ZINC001456314801 1066561246 /nfs/dbraw/zinc/56/12/46/1066561246.db2.gz DGNREWPMUJCMAH-DEOSSOPVSA-N 0 0 458.558 4.868 20 0 JJADRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc(F)cc2)cc1 ZINC001456319531 1066561669 /nfs/dbraw/zinc/56/16/69/1066561669.db2.gz OPSVTEMOTSKMHE-UHFFFAOYSA-N 0 0 458.559 4.587 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001445352851 1066561782 /nfs/dbraw/zinc/56/17/82/1066561782.db2.gz BFGXUXWQRIZUGU-CPUCHLNUSA-N 0 0 450.954 4.676 20 0 JJADRN O=C(NCCCc1cccc(Br)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001456319466 1066561775 /nfs/dbraw/zinc/56/17/75/1066561775.db2.gz ORDUGIJGFJCOLY-MRXNPFEDSA-N 0 0 453.174 4.827 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 ZINC001545974288 1066562219 /nfs/dbraw/zinc/56/22/19/1066562219.db2.gz UDMBLYLNVCHYSK-JTHBVZDNSA-N 0 0 452.526 4.507 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361224119 1066562479 /nfs/dbraw/zinc/56/24/79/1066562479.db2.gz JSCLSJYAWHOVRV-OKZBNKHCSA-N 0 0 467.536 4.833 20 0 JJADRN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)c1ccc(F)cc1F ZINC001445361964 1066562673 /nfs/dbraw/zinc/56/26/73/1066562673.db2.gz UXBJTMJWYNUJFA-GFCCVEGCSA-N 0 0 452.429 4.535 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)cc1)c1cccs1 ZINC001456323999 1066562713 /nfs/dbraw/zinc/56/27/13/1066562713.db2.gz XPSGAFWPFBJTEZ-UHFFFAOYSA-N 0 0 457.555 4.947 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H]2CC[C@@H](C)C2)cc1Br ZINC001361224514 1066563252 /nfs/dbraw/zinc/56/32/52/1066563252.db2.gz WRPGFXFXCDVLGN-IEBWSBKVSA-N 0 0 488.474 4.757 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC2CC2)cc1Br ZINC001361224583 1066563287 /nfs/dbraw/zinc/56/32/87/1066563287.db2.gz YSLVPLPJKJQHIF-KRWDZBQOSA-N 0 0 474.447 4.509 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCSC(C)C)cc1Br ZINC001361224496 1066563463 /nfs/dbraw/zinc/56/34/63/1066563463.db2.gz VZVRXCWKILYPGO-UHFFFAOYSA-N 0 0 488.446 4.545 20 0 JJADRN Cc1ccc(-c2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CCCOCCC(C)C)o1 ZINC001361225656 1066563920 /nfs/dbraw/zinc/56/39/20/1066563920.db2.gz JAKXHGLNKQDFCW-UHFFFAOYSA-N 0 0 466.508 4.535 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(-c2ccccc2)c1C(F)F ZINC001456330604 1066563983 /nfs/dbraw/zinc/56/39/83/1066563983.db2.gz DCQOPOWIWYPNGW-HNNXBMFYSA-N 0 0 450.411 4.837 20 0 JJADRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cc2cc(Br)ccc2C)CC1 ZINC001456331496 1066564271 /nfs/dbraw/zinc/56/42/71/1066564271.db2.gz NCZULUBJAKGBDF-OAQYLSRUSA-N 0 0 451.355 4.874 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001361226053 1066564847 /nfs/dbraw/zinc/56/48/47/1066564847.db2.gz ANEYYGVCEIUSCQ-NRFANRHFSA-N 0 0 454.567 4.645 20 0 JJADRN CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC001445375953 1066564825 /nfs/dbraw/zinc/56/48/25/1066564825.db2.gz UDOVHMGZBJNQPK-HSZRJFAPSA-N 0 0 450.623 4.951 20 0 JJADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC001361226063 1066564952 /nfs/dbraw/zinc/56/49/52/1066564952.db2.gz AWDHEJNWISOTFI-UHFFFAOYSA-N 0 0 452.532 4.718 20 0 JJADRN CC(C)(C)c1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)s1 ZINC001361226680 1066564995 /nfs/dbraw/zinc/56/49/95/1066564995.db2.gz TZVCRXDHPAJEJZ-UHFFFAOYSA-N 0 0 455.605 4.834 20 0 JJADRN Cc1ccc(-c2nnc(N3CCN(CCOc4ccccc4Cl)CC3)n2CCSC(C)C)o1 ZINC001361226447 1066565002 /nfs/dbraw/zinc/56/50/02/1066565002.db2.gz XYADTRMNWAHFSW-UHFFFAOYSA-N 0 0 490.073 4.843 20 0 JJADRN C[C@@H](CCC1CCCCC1)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC001456338658 1066565444 /nfs/dbraw/zinc/56/54/44/1066565444.db2.gz QWEONYDNIRNQAE-SFHVURJKSA-N 0 0 453.612 4.939 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccc(C(F)(F)F)cc2)o1 ZINC001361227211 1066565562 /nfs/dbraw/zinc/56/55/62/1066565562.db2.gz ICASHGZGAOSLIU-INIZCTEOSA-N 0 0 460.378 4.681 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC001445398870 1066566473 /nfs/dbraw/zinc/56/64/73/1066566473.db2.gz YPWXZNUDTKJJKJ-UHFFFAOYSA-N 0 0 450.922 4.647 20 0 JJADRN CN(C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001445392535 1066566541 /nfs/dbraw/zinc/56/65/41/1066566541.db2.gz PFOFIQDCVDLKDS-FBBABVLZSA-N 0 0 458.990 4.761 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001445393957 1066566630 /nfs/dbraw/zinc/56/66/30/1066566630.db2.gz RZYWYRIRTGRBPY-AZUAARDMSA-N 0 0 473.614 4.733 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC001445392401 1066566687 /nfs/dbraw/zinc/56/66/87/1066566687.db2.gz ORKAGEBNRZUENE-UHFFFAOYSA-N 0 0 459.546 4.938 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H]2CC=CCO2)cc1Br ZINC001361227987 1066566977 /nfs/dbraw/zinc/56/69/77/1066566977.db2.gz ZZIHKVYNNFANHY-AZUAARDMSA-N 0 0 475.431 4.612 20 0 JJADRN O=C(NCc1cnc(-c2ccccc2)s1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001361228014 1066567035 /nfs/dbraw/zinc/56/70/35/1066567035.db2.gz AYQXBXAPRCCMJN-UHFFFAOYSA-N 0 0 457.393 4.937 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@]2(C)CCCO2)cc1Br ZINC001361227870 1066567091 /nfs/dbraw/zinc/56/70/91/1066567091.db2.gz XJZNMDSXVNLIKD-WMZHIEFXSA-N 0 0 477.447 4.836 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)n2CCCOCC(F)F)o1 ZINC001361228580 1066567688 /nfs/dbraw/zinc/56/76/88/1066567688.db2.gz BUAANUFGFKHQHY-IBGZPJMESA-N 0 0 484.906 4.889 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001456353097 1066567789 /nfs/dbraw/zinc/56/77/89/1066567789.db2.gz SCSBEHINWVOUNS-LAUBAEHRSA-N 0 0 452.576 4.609 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOCC4(CCC4)C3)n2CCCOC(F)F)cc1Br ZINC001361229074 1066568113 /nfs/dbraw/zinc/56/81/13/1066568113.db2.gz MATVWVRWOPSYKI-UHFFFAOYSA-N 0 0 485.373 4.652 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2Cc2ccnc(C(F)(F)F)c2)cc1Br ZINC001361229289 1066568181 /nfs/dbraw/zinc/56/81/81/1066568181.db2.gz OVWVZODQTWFQLE-AWEZNQCLSA-N 0 0 496.331 4.703 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4cccc(OC(F)F)c4)C3)n2CC(F)(F)F)o1 ZINC001361229355 1066568584 /nfs/dbraw/zinc/56/85/84/1066568584.db2.gz QLSCFAFOTSOXFA-INIZCTEOSA-N 0 0 458.387 4.588 20 0 JJADRN Cc1ccc(-c2nnc(N3CCOC[C@@H](C4CCC4)C3)n2C[C@@](C)(O)C(C)C)cc1Br ZINC001361229344 1066568634 /nfs/dbraw/zinc/56/86/34/1066568634.db2.gz QGRQRTZGXKVYBB-GBXCKJPGSA-N 0 0 491.474 4.676 20 0 JJADRN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CC[C@@H]1Cc1ccccc1 ZINC001445417810 1066568818 /nfs/dbraw/zinc/56/88/18/1066568818.db2.gz VHPIPQUJEGWGOK-LJQANCHMSA-N 0 0 458.942 4.737 20 0 JJADRN O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CC[C@H]1Cc1ccccc1 ZINC001445417806 1066568895 /nfs/dbraw/zinc/56/88/95/1066568895.db2.gz VHPIPQUJEGWGOK-IBGZPJMESA-N 0 0 458.942 4.737 20 0 JJADRN Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)o1 ZINC001361229813 1066569178 /nfs/dbraw/zinc/56/91/78/1066569178.db2.gz XLHUESGGFXIEPW-NRFANRHFSA-N 0 0 499.587 4.867 20 0 JJADRN CCCCO[C@H]1C[C@H](N(C)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)C1(C)C ZINC001445419462 1066569368 /nfs/dbraw/zinc/56/93/68/1066569368.db2.gz UXQQZYOJCYRAAQ-ROUUACIJSA-N 0 0 450.649 4.747 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Cl)c(I)c1)Oc1ccccc1Cl ZINC001361230309 1066569380 /nfs/dbraw/zinc/56/93/80/1066569380.db2.gz RJIPDQFWASPVDB-SNVBAGLBSA-N 0 0 450.103 4.795 20 0 JJADRN CC1(C)CN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359611 1066569732 /nfs/dbraw/zinc/56/97/32/1066569732.db2.gz MPSLQMSTDQBIOJ-ZLNRFVROSA-N 0 0 469.702 4.925 20 0 JJADRN CC1(C)CN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456359577 1066569741 /nfs/dbraw/zinc/56/97/41/1066569741.db2.gz MKSLLSLMIIFXOZ-FQEVSTJZSA-N 0 0 452.631 4.673 20 0 JJADRN Cc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC001361230786 1066569922 /nfs/dbraw/zinc/56/99/22/1066569922.db2.gz CALCESXRHSLIAJ-AEFFLSMTSA-N 0 0 479.488 4.899 20 0 JJADRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC001445426278 1066570049 /nfs/dbraw/zinc/57/00/49/1066570049.db2.gz MCDITXSXBAVUNT-HUUCEWRRSA-N 0 0 457.983 4.948 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CC2(O)CCCC2)cc1Br ZINC001361230835 1066570051 /nfs/dbraw/zinc/57/00/51/1066570051.db2.gz DEQVICNUANXVFG-LJQANCHMSA-N 0 0 479.488 4.899 20 0 JJADRN CC1(C)CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456360732 1066570258 /nfs/dbraw/zinc/57/02/58/1066570258.db2.gz POAHHRPGUQUCGP-NRFANRHFSA-N 0 0 451.647 4.809 20 0 JJADRN C=CC(=O)Nc1cccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2COCC[Si](C)(C)C)c1 ZINC001456361207 1066570324 /nfs/dbraw/zinc/57/03/24/1066570324.db2.gz QMIMNJQNDACMGC-NRFANRHFSA-N 0 0 454.647 4.543 20 0 JJADRN Cc1cccc2cc(C(=O)N(C)C[C@@H](O)COc3ccccc3C(F)(F)F)c(Cl)nc12 ZINC001445427662 1066570312 /nfs/dbraw/zinc/57/03/12/1066570312.db2.gz RZTXMEQSVACKIA-OAHLLOKOSA-N 0 0 452.860 4.727 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CCc2ccc(Br)s2)o1 ZINC001361230969 1066570342 /nfs/dbraw/zinc/57/03/42/1066570342.db2.gz HRKISMOFNHSTTP-ZDUSSCGKSA-N 0 0 453.431 4.855 20 0 JJADRN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001456361757 1066570765 /nfs/dbraw/zinc/57/07/65/1066570765.db2.gz FNQLCKQQCSOTRM-AQTBWJFISA-N 0 0 452.860 4.705 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)C1 ZINC001456362558 1066571268 /nfs/dbraw/zinc/57/12/68/1066571268.db2.gz JZEOOIBRKFRIQA-HOTGVXAUSA-N 0 0 456.493 4.634 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CCOC(C)(C)C)cc1Br ZINC001361231383 1066571330 /nfs/dbraw/zinc/57/13/30/1066571330.db2.gz QSQVKHSFKFXDRU-OAHLLOKOSA-N 0 0 453.450 4.773 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCCNC(=O)OC(C)(C)C)o1 ZINC001361231483 1066571425 /nfs/dbraw/zinc/57/14/25/1066571425.db2.gz RFVIPHJTZCUSIF-LJQANCHMSA-N 0 0 463.648 4.729 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)[C@@H](CC)CN1C(C)=O ZINC001361231355 1066571515 /nfs/dbraw/zinc/57/15/15/1066571515.db2.gz ATROPCJTEVSSOQ-SJORKVTESA-N 0 0 459.015 4.910 20 0 JJADRN CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1ccc(I)cn1 ZINC001456364352 1066571693 /nfs/dbraw/zinc/57/16/93/1066571693.db2.gz YLWCDVHGSAKAFO-UHFFFAOYSA-N 0 0 459.125 4.656 20 0 JJADRN CC1(C)CN(C(=O)[C@]2(c3ccccc3)CCCO2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456363699 1066571739 /nfs/dbraw/zinc/57/17/39/1066571739.db2.gz WOZGTNWJFLEGJO-SQJMNOBHSA-N 0 0 455.675 4.811 20 0 JJADRN Cc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCc2ccccn2)cc1Br ZINC001361231723 1066572017 /nfs/dbraw/zinc/57/20/17/1066572017.db2.gz SYEKGLDSJSQPEH-DLBZAZTESA-N 0 0 472.456 4.984 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)cc1Br ZINC001361231880 1066572275 /nfs/dbraw/zinc/57/22/75/1066572275.db2.gz JDWNTQSVDLTVHD-UHFFFAOYSA-N 0 0 492.303 4.955 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc3[nH]c(CNC(=O)OC(C)(C)C)nc3c2)c(Br)c1 ZINC001456368721 1066572678 /nfs/dbraw/zinc/57/26/78/1066572678.db2.gz AUDYEHGGEYQUDM-UHFFFAOYSA-N 0 0 459.344 4.911 20 0 JJADRN Cc1c[nH]c(C2(NC(=O)c3ccc(Oc4cccc(Br)c4)cc3)CCOCC2)n1 ZINC001456369241 1066572789 /nfs/dbraw/zinc/57/27/89/1066572789.db2.gz SGUQRGHIDPLAKG-UHFFFAOYSA-N 0 0 456.340 4.709 20 0 JJADRN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361232699 1066573273 /nfs/dbraw/zinc/57/32/73/1066573273.db2.gz UIGRXLUPUDFWSO-HYVNUMGLSA-N 0 0 483.535 4.881 20 0 JJADRN CN(CC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C(F)(F)F)cc1C=O ZINC001445460205 1066573573 /nfs/dbraw/zinc/57/35/73/1066573573.db2.gz IQRVWEOJTGRNQF-UHFFFAOYSA-N 0 0 458.402 4.674 20 0 JJADRN COC(=O)c1ccc(CCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001445462028 1066573634 /nfs/dbraw/zinc/57/36/34/1066573634.db2.gz MBQRXBZZRYYKNH-UHFFFAOYSA-N 0 0 450.362 4.920 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)NCc2oc3ccccc3c2C)nnc1-c1ccccc1 ZINC001456377368 1066573762 /nfs/dbraw/zinc/57/37/62/1066573762.db2.gz AQMBKOKDZMUYIQ-INIZCTEOSA-N 0 0 450.564 4.616 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001361233328 1066573780 /nfs/dbraw/zinc/57/37/80/1066573780.db2.gz FGNSAPFPWFNAAT-KFJCQRTISA-N 0 0 488.698 4.516 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001361233327 1066573942 /nfs/dbraw/zinc/57/39/42/1066573942.db2.gz FGNSAPFPWFNAAT-DXSCRLHCSA-N 0 0 488.698 4.516 20 0 JJADRN COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001445464089 1066574189 /nfs/dbraw/zinc/57/41/89/1066574189.db2.gz RCKPNTPFHJTCSY-NRFANRHFSA-N 0 0 453.583 4.901 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC001361233963 1066574324 /nfs/dbraw/zinc/57/43/24/1066574324.db2.gz JXZZBKMBQCRKIY-OAQYLSRUSA-N 0 0 466.655 4.854 20 0 JJADRN CCCOc1ccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC(F)F)c1 ZINC001445467222 1066574591 /nfs/dbraw/zinc/57/45/91/1066574591.db2.gz RRJMDJGGSOBHNE-DOTOQJQBSA-N 0 0 456.530 4.777 20 0 JJADRN CCOCn1nc(C)c(CC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC001445469521 1066574623 /nfs/dbraw/zinc/57/46/23/1066574623.db2.gz XTFJVKRWKXDYEK-UHFFFAOYSA-N 0 0 454.398 4.551 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1)C2=O ZINC001361234750 1066574887 /nfs/dbraw/zinc/57/48/87/1066574887.db2.gz OEWHFQVSJWPJEU-YKBKXLKOSA-N 0 0 457.615 4.805 20 0 JJADRN CC(C)c1csc(NC(=O)c2cccc(Br)c2I)n1 ZINC001456384523 1066575164 /nfs/dbraw/zinc/57/51/64/1066575164.db2.gz CGVNYVCGPXTLMR-UHFFFAOYSA-N 0 0 451.127 4.886 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)cc1 ZINC001361234977 1066575413 /nfs/dbraw/zinc/57/54/13/1066575413.db2.gz RLWDPZSSKFDMIH-FQEVSTJZSA-N 0 0 485.430 4.554 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1OCc1ccncc1 ZINC001456388834 1066575546 /nfs/dbraw/zinc/57/55/46/1066575546.db2.gz FKRWJUHUBSUKQH-UHFFFAOYSA-N 0 0 458.539 4.887 20 0 JJADRN Cc1ccc(-c2nnc(Nc3cnn(C)c3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC001361235577 1066575669 /nfs/dbraw/zinc/57/56/69/1066575669.db2.gz XFZUCKOACWEZTD-GOSISDBHSA-N 0 0 455.563 4.503 20 0 JJADRN CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545975559 1066576065 /nfs/dbraw/zinc/57/60/65/1066576065.db2.gz UMTKNPPSOJPRFN-ZWKOTPCHSA-N 0 0 452.603 4.586 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456390937 1066576135 /nfs/dbraw/zinc/57/61/35/1066576135.db2.gz CONMBQNGZHYMIY-GUDVDZBRSA-N 0 0 453.583 4.701 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)o1 ZINC001361235929 1066576274 /nfs/dbraw/zinc/57/62/74/1066576274.db2.gz AQHCSDHXEZTQAJ-LEWJYISDSA-N 0 0 487.645 4.798 20 0 JJADRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001456392924 1066576582 /nfs/dbraw/zinc/57/65/82/1066576582.db2.gz QEKWDSLJFZJVGH-UHFFFAOYSA-N 0 0 456.340 4.537 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)cc1 ZINC001361236408 1066576655 /nfs/dbraw/zinc/57/66/55/1066576655.db2.gz ILJWYRBMWWMJQR-FGZHOGPDSA-N 0 0 469.630 4.689 20 0 JJADRN Cc1ccc([C@H]2CCCN2c2nnc(Cc3csc(C)n3)n2CCCN(C)CC(F)(F)F)o1 ZINC001361236035 1066576702 /nfs/dbraw/zinc/57/67/02/1066576702.db2.gz COXXXMCVNUCEAV-GOSISDBHSA-N 0 0 482.576 4.761 20 0 JJADRN CC[C@H]1[C@@H](C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)CCN1C(=O)OC(C)(C)C ZINC001445486730 1066576942 /nfs/dbraw/zinc/57/69/42/1066576942.db2.gz QKYZJWJGHPNSMU-OALUTQOASA-N 0 0 456.505 4.622 20 0 JJADRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCc1nccn1CCCc1ccccc1 ZINC001445490596 1066577369 /nfs/dbraw/zinc/57/73/69/1066577369.db2.gz CSUJETOLKZZDPX-ZJSXRUAMSA-N 0 0 452.396 4.872 20 0 JJADRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC001445491296 1066577359 /nfs/dbraw/zinc/57/73/59/1066577359.db2.gz JJROLMUSWKHESN-KXBFYZLASA-N 0 0 458.440 4.517 20 0 JJADRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCc1nccn1CCCc1ccccc1 ZINC001445490592 1066577436 /nfs/dbraw/zinc/57/74/36/1066577436.db2.gz CSUJETOLKZZDPX-URXFXBBRSA-N 0 0 452.396 4.872 20 0 JJADRN COC(=O)C1([C@@]2(O)CCCN(C(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)C2)CCC1 ZINC001456394672 1066577585 /nfs/dbraw/zinc/57/75/85/1066577585.db2.gz KCSHPPMECBESNC-DFWCCGOPSA-N 0 0 459.995 4.779 20 0 JJADRN CCc1c(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cnn1-c1ccc(C)cc1 ZINC001456395778 1066577710 /nfs/dbraw/zinc/57/77/10/1066577710.db2.gz VJOLLIUMLJWNDK-UHFFFAOYSA-N 0 0 459.571 4.969 20 0 JJADRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)CCc2cccn2C)c1 ZINC001456395022 1066577734 /nfs/dbraw/zinc/57/77/34/1066577734.db2.gz XTWRFQOIMYOLAV-LJQANCHMSA-N 0 0 458.562 4.646 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCC(C)C)o1 ZINC001361237630 1066578271 /nfs/dbraw/zinc/57/82/71/1066578271.db2.gz QPZFUVRMPVSUMH-DFBJGRDBSA-N 0 0 485.654 4.700 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001456396625 1066578195 /nfs/dbraw/zinc/57/81/95/1066578195.db2.gz ITBAREBMHCFFLX-QLFBSQMISA-N 0 0 457.434 4.786 20 0 JJADRN C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001445498992 1066578366 /nfs/dbraw/zinc/57/83/66/1066578366.db2.gz VZCJLCYLZXOABD-NQIIRXRSSA-N 0 0 458.624 4.843 20 0 JJADRN CC(C)(CNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(F)cc1Cl ZINC001456400399 1066578677 /nfs/dbraw/zinc/57/86/77/1066578677.db2.gz ZWNVXCWSGADSTM-UHFFFAOYSA-N 0 0 458.818 4.925 20 0 JJADRN CCOc1cc2c(cc1CNC(=O)c1cc(C)nc3ccc(Br)cc31)O[C@H](C)C2 ZINC001361238587 1066579270 /nfs/dbraw/zinc/57/92/70/1066579270.db2.gz RFMPNFIOOXZBMI-CQSZACIVSA-N 0 0 455.352 4.958 20 0 JJADRN COC(=O)C1([C@]2(O)CCCN(C(=O)/C=C/c3cccc(-c4ccc(Cl)cc4)c3)C2)CCC1 ZINC001456402853 1066579105 /nfs/dbraw/zinc/57/91/05/1066579105.db2.gz ZWJWYJZCRKYCTH-WKMHLBOISA-N 0 0 453.966 4.717 20 0 JJADRN CCNC(=O)c1ccc(OC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)cc1 ZINC001456405761 1066579252 /nfs/dbraw/zinc/57/92/52/1066579252.db2.gz JBRQGFLGJVJAAL-UHFFFAOYSA-N 0 0 457.324 4.700 20 0 JJADRN C[C@@H]1CN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001456404783 1066579445 /nfs/dbraw/zinc/57/94/45/1066579445.db2.gz UMBJZQHGFPHJGT-GASCZTMLSA-N 0 0 450.004 4.857 20 0 JJADRN CC[C@@H](C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1c(C)noc1C ZINC001456407178 1066579710 /nfs/dbraw/zinc/57/97/10/1066579710.db2.gz ATMKRQXRSWSERF-XMMPIXPASA-N 0 0 451.542 4.852 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1OC ZINC001445515384 1066579725 /nfs/dbraw/zinc/57/97/25/1066579725.db2.gz OWRBFRHFAPCQIF-VQIMIIECSA-N 0 0 454.542 4.532 20 0 JJADRN COC(=O)NCc1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 ZINC001456406666 1066579902 /nfs/dbraw/zinc/57/99/02/1066579902.db2.gz ASBMMNAHNYNPAM-UHFFFAOYSA-N 0 0 456.296 4.745 20 0 JJADRN CN(C)c1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)nc2ccccc21 ZINC001456408546 1066580289 /nfs/dbraw/zinc/58/02/89/1066580289.db2.gz HZDXUYXDLQHVQZ-UHFFFAOYSA-N 0 0 454.353 4.834 20 0 JJADRN Cc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361238867 1066580250 /nfs/dbraw/zinc/58/02/50/1066580250.db2.gz YOLRWXAPHRDONY-ROUUACIJSA-N 0 0 453.553 4.994 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC=C(C(F)(F)F)CC2)cc1 ZINC001361238806 1066580378 /nfs/dbraw/zinc/58/03/78/1066580378.db2.gz XVVNNLFIQQDXBR-CTNGQTDRSA-N 0 0 491.558 4.591 20 0 JJADRN O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccc(-c2cnco2)cc1 ZINC001456411892 1066580758 /nfs/dbraw/zinc/58/07/58/1066580758.db2.gz SPWPOTKCLVHSLV-UHFFFAOYSA-N 0 0 454.273 4.943 20 0 JJADRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC001456414883 1066581206 /nfs/dbraw/zinc/58/12/06/1066581206.db2.gz ROIQSKGDAJZVSO-WJOKGBTCSA-N 0 0 452.967 4.902 20 0 JJADRN Cc1cc(S(N)(=O)=O)cc(C(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1C ZINC001445524449 1066581243 /nfs/dbraw/zinc/58/12/43/1066581243.db2.gz OKLDSEWEMZMWMR-QHCPKHFHSA-N 0 0 454.979 4.544 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 ZINC001361239643 1066581313 /nfs/dbraw/zinc/58/13/13/1066581313.db2.gz IISRHEWOKOROTK-OZXSUGGESA-N 0 0 481.685 4.838 20 0 JJADRN Cc1c(Br)cncc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456415572 1066581485 /nfs/dbraw/zinc/58/14/85/1066581485.db2.gz VFSGFVVURNXNJA-UHFFFAOYSA-N 0 0 454.147 4.686 20 0 JJADRN O=C(Cn1cc(Br)cn1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001361240038 1066581729 /nfs/dbraw/zinc/58/17/29/1066581729.db2.gz HBHLUGVSAOEDIL-UHFFFAOYSA-N 0 0 454.246 4.773 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@H]2Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)F)cc1 ZINC001361240097 1066581834 /nfs/dbraw/zinc/58/18/34/1066581834.db2.gz NFORXIQCNVQRQJ-GBXCKJPGSA-N 0 0 455.553 4.832 20 0 JJADRN COC(=O)c1cn(CC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c2ccccc12 ZINC001456423659 1066581976 /nfs/dbraw/zinc/58/19/76/1066581976.db2.gz BMCDQYQFLPRMGC-YTTGMZPUSA-N 0 0 452.576 4.648 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c([C@H]3CCCOC3)nnc2N(C)CCOC(C)(C)C)cc1 ZINC001361240626 1066582104 /nfs/dbraw/zinc/58/21/04/1066582104.db2.gz VWPYUFOWWLPLHL-SGNDLWITSA-N 0 0 470.658 4.900 20 0 JJADRN Cc1ccc(CCn2c(C(C)C)nnc2N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC001361240920 1066582621 /nfs/dbraw/zinc/58/26/21/1066582621.db2.gz YKQNIXDVKOSVEX-QFIPXVFZSA-N 0 0 453.656 4.524 20 0 JJADRN CC[S@](=O)c1ccccc1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445527510 1066582609 /nfs/dbraw/zinc/58/26/09/1066582609.db2.gz CZSLTULLFZGLKL-SANMLTNESA-N 0 0 452.761 4.872 20 0 JJADRN Cc1nn(CC(F)F)cc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC001456429970 1066582955 /nfs/dbraw/zinc/58/29/55/1066582955.db2.gz KSVQIIHHEAKUCL-UHFFFAOYSA-N 0 0 457.456 4.833 20 0 JJADRN CC[C@H]1c2ccccc2CCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC001456427152 1066583008 /nfs/dbraw/zinc/58/30/08/1066583008.db2.gz HPSYQLDXHGPVPJ-FQEVSTJZSA-N 0 0 450.398 4.539 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2)c1C ZINC001456429532 1066583031 /nfs/dbraw/zinc/58/30/31/1066583031.db2.gz LCAWJAIWFXQCMW-UHFFFAOYSA-N 0 0 453.564 4.772 20 0 JJADRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001445528347 1066583109 /nfs/dbraw/zinc/58/31/09/1066583109.db2.gz FATCXIPMUSJJGX-JOCHJYFZSA-N 0 0 454.567 4.649 20 0 JJADRN COc1ccc2c(c1)c(C(=O)NCCc1ncn(C)c1Br)c(C)n2C1CCCC1 ZINC001456431965 1066583421 /nfs/dbraw/zinc/58/34/21/1066583421.db2.gz YJJZLWHDRCLMFD-UHFFFAOYSA-N 0 0 459.388 4.542 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)cnc1Cl ZINC001456431200 1066583530 /nfs/dbraw/zinc/58/35/30/1066583530.db2.gz IKDIOTRTPANOKU-NSHDSACASA-N 0 0 453.770 4.661 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1 ZINC001456433007 1066583945 /nfs/dbraw/zinc/58/39/45/1066583945.db2.gz RYVCIWPRHVLXEN-QGZVFWFLSA-N 0 0 453.564 4.820 20 0 JJADRN CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cc1F ZINC001445536464 1066584112 /nfs/dbraw/zinc/58/41/12/1066584112.db2.gz ORARRAOSYOBBKO-UHFFFAOYSA-N 0 0 451.683 4.842 20 0 JJADRN CC(C)OC(=O)NCc1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001456434046 1066584324 /nfs/dbraw/zinc/58/43/24/1066584324.db2.gz VEZOCMXVHZPVAK-OAQYLSRUSA-N 0 0 455.555 4.568 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)c(C)c1 ZINC001361242650 1066584664 /nfs/dbraw/zinc/58/46/64/1066584664.db2.gz CKPWPIBAYOURFT-ZEQRLZLVSA-N 0 0 497.684 4.928 20 0 JJADRN Cc1ccc(CCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)c(C)c1 ZINC001361243032 1066584705 /nfs/dbraw/zinc/58/47/05/1066584705.db2.gz HTRJJZJOSWHXDG-UHFFFAOYSA-N 0 0 451.659 4.565 20 0 JJADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 ZINC001445536484 1066584950 /nfs/dbraw/zinc/58/49/50/1066584950.db2.gz ZYPDLCDJWIWRIW-GHTZIAJQSA-N 0 0 455.400 4.539 20 0 JJADRN Cc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001361243397 1066585187 /nfs/dbraw/zinc/58/51/87/1066585187.db2.gz MVGCYFBWQWVEBF-UHFFFAOYSA-N 0 0 490.652 4.699 20 0 JJADRN Cc1ccc(CCn2c(C3CCCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001361243263 1066585285 /nfs/dbraw/zinc/58/52/85/1066585285.db2.gz LEMWUGYTLGJZDL-NRFANRHFSA-N 0 0 453.631 4.838 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001445540098 1066585238 /nfs/dbraw/zinc/58/52/38/1066585238.db2.gz LWRZEZUNNZVMCO-NOZRDPDXSA-N 0 0 459.546 4.604 20 0 JJADRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001445540096 1066585259 /nfs/dbraw/zinc/58/52/59/1066585259.db2.gz LWRZEZUNNZVMCO-ILBGXUMGSA-N 0 0 459.546 4.604 20 0 JJADRN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cc(Br)cs1 ZINC001456436354 1066585554 /nfs/dbraw/zinc/58/55/54/1066585554.db2.gz SVXIEUCXGOYSOZ-UHFFFAOYSA-N 0 0 450.379 4.878 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)c(C)c1 ZINC001361243591 1066585670 /nfs/dbraw/zinc/58/56/70/1066585670.db2.gz PADAWRUNGLQOKE-UHFFFAOYSA-N 0 0 472.699 4.664 20 0 JJADRN Cc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)c(C)c1 ZINC001361243922 1066586084 /nfs/dbraw/zinc/58/60/84/1066586084.db2.gz YAPAFWWRNWVOJE-UHFFFAOYSA-N 0 0 465.667 4.750 20 0 JJADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC001361244238 1066586204 /nfs/dbraw/zinc/58/62/04/1066586204.db2.gz GKNDJIGXTGOOFJ-UHFFFAOYSA-N 0 0 456.428 4.519 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 ZINC001445545652 1066586282 /nfs/dbraw/zinc/58/62/82/1066586282.db2.gz UXNDIGDRVLOOPQ-URVUXULASA-N 0 0 480.561 4.779 20 0 JJADRN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)NC[C@@H](O)c1ccccc1F ZINC001445543078 1066586351 /nfs/dbraw/zinc/58/63/51/1066586351.db2.gz QZYHRMAZRMARHZ-HXUWFJFHSA-N 0 0 458.320 4.999 20 0 JJADRN Cc1nc(CNC(=O)c2c3ccc(Br)cc3nn2C)oc1-c1ccc(Cl)cc1 ZINC001445550604 1066586715 /nfs/dbraw/zinc/58/67/15/1066586715.db2.gz VYNZUWRAAJPYRK-UHFFFAOYSA-N 0 0 459.731 4.883 20 0 JJADRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)c12 ZINC001361245470 1066587200 /nfs/dbraw/zinc/58/72/00/1066587200.db2.gz AMZLHSSGNCQMTE-JGCGQSQUSA-N 0 0 458.465 4.823 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)CN2C(=O)COc3ccccc32)cc1C ZINC001456442087 1066587469 /nfs/dbraw/zinc/58/74/69/1066587469.db2.gz ANNIAKCFDRTOFB-UHFFFAOYSA-N 0 0 458.558 4.575 20 0 JJADRN Cc1ccc(OCCC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c(Br)c1 ZINC001361245610 1066587612 /nfs/dbraw/zinc/58/76/12/1066587612.db2.gz DOLOEPPYCAUUOC-AREMUKBSSA-N 0 0 450.276 4.793 20 0 JJADRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1C ZINC001456444980 1066587913 /nfs/dbraw/zinc/58/79/13/1066587913.db2.gz IFNWJGRZCOAYRS-ATIYNZHBSA-N 0 0 452.620 4.603 20 0 JJADRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361245827 1066587854 /nfs/dbraw/zinc/58/78/54/1066587854.db2.gz HEGRRYDBMCYXIO-INZIPBBXSA-N 0 0 456.486 4.594 20 0 JJADRN Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CCCO)CC2)cc1 ZINC001361245891 1066587901 /nfs/dbraw/zinc/58/79/01/1066587901.db2.gz UVVJVRMKNUFRJH-DNQXCXABSA-N 0 0 454.659 4.737 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361245934 1066588022 /nfs/dbraw/zinc/58/80/22/1066588022.db2.gz IUVODNYTLBRIIB-VWLOTQADSA-N 0 0 456.667 4.747 20 0 JJADRN O=C(Nc1ccc(CC(=O)N2CCC(C(F)F)CC2)cc1)c1cccc(Br)c1 ZINC001445564093 1066588521 /nfs/dbraw/zinc/58/85/21/1066588521.db2.gz GELMHAGKCLITHP-UHFFFAOYSA-N 0 0 451.311 4.748 20 0 JJADRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC001456445796 1066588338 /nfs/dbraw/zinc/58/83/38/1066588338.db2.gz OSPHJWAGPJXGPW-UHFFFAOYSA-N 0 0 451.573 4.591 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1cnn(-c2cccc(Br)c2)c1 ZINC001361246126 1066588500 /nfs/dbraw/zinc/58/85/00/1066588500.db2.gz LRGYZBFQWOOPFB-MHZLTWQESA-N 0 0 458.259 4.515 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)s1 ZINC001361246906 1066588921 /nfs/dbraw/zinc/58/89/21/1066588921.db2.gz IEXZGNVCWNKDDR-UHFFFAOYSA-N 0 0 452.971 4.633 20 0 JJADRN COCCCOc1cc(C)ccc1CNC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001445571995 1066588906 /nfs/dbraw/zinc/58/89/06/1066588906.db2.gz PKLTWLKQPRAKOZ-UHFFFAOYSA-N 0 0 454.567 4.638 20 0 JJADRN CC1(C)CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCCO1 ZINC001456447167 1066589003 /nfs/dbraw/zinc/58/90/03/1066589003.db2.gz GBWLZQMIZXPYED-UHFFFAOYSA-N 0 0 450.486 4.656 20 0 JJADRN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001456446885 1066589114 /nfs/dbraw/zinc/58/91/14/1066589114.db2.gz OHJPOIWFHVZOBO-HNNXBMFYSA-N 0 0 450.709 4.837 20 0 JJADRN COc1ccc(-c2nn(CC(=O)N[C@@H](c3ccc(C(F)(F)F)cc3)C(C)C)cc2C=O)cc1 ZINC001545976682 1066589178 /nfs/dbraw/zinc/58/91/78/1066589178.db2.gz UVNLBUJNSPDAQT-JOCHJYFZSA-N 0 0 459.468 4.904 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC(C)C)cc2)o1 ZINC001361247066 1066589284 /nfs/dbraw/zinc/58/92/84/1066589284.db2.gz NSEBKBXRGZICSM-UHFFFAOYSA-N 0 0 474.565 4.546 20 0 JJADRN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)cc1-c1ncco1 ZINC001445572011 1066589664 /nfs/dbraw/zinc/58/96/64/1066589664.db2.gz ZERCRGUXASBKBM-UHFFFAOYSA-N 0 0 459.574 4.504 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cs1)C(N)=O ZINC001456450068 1066589890 /nfs/dbraw/zinc/58/98/90/1066589890.db2.gz RGROHSGURYMMNV-FOIQADDNSA-N 0 0 455.605 4.820 20 0 JJADRN CCN(CC)[C@@H](C(=O)Nc1cccc(CS(C)(=O)=O)c1C)c1cccc(C(F)(F)F)c1 ZINC001456450389 1066589951 /nfs/dbraw/zinc/58/99/51/1066589951.db2.gz ZVYHPVVPINFVQT-HXUWFJFHSA-N 0 0 456.530 4.580 20 0 JJADRN O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001456450877 1066589994 /nfs/dbraw/zinc/58/99/94/1066589994.db2.gz UFPFRLLSDBACET-LLVKDONJSA-N 0 0 451.310 4.643 20 0 JJADRN COc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cnc1Br ZINC001361247967 1066590769 /nfs/dbraw/zinc/59/07/69/1066590769.db2.gz PRYSHSYJLRTRLY-LBPRGKRZSA-N 0 0 450.333 4.691 20 0 JJADRN Cc1c2cc(F)ccc2oc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001456452445 1066590914 /nfs/dbraw/zinc/59/09/14/1066590914.db2.gz ZSIJVUUVMGYOLJ-UHFFFAOYSA-N 0 0 452.507 4.635 20 0 JJADRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584577 1066591022 /nfs/dbraw/zinc/59/10/22/1066591022.db2.gz NQCWIZWJNYRUPA-XZOQPEGZSA-N 0 0 456.608 4.524 20 0 JJADRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584567 1066591157 /nfs/dbraw/zinc/59/11/57/1066591157.db2.gz NQCWIZWJNYRUPA-DHIUTWEWSA-N 0 0 456.608 4.524 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)cc2)n[nH]1 ZINC001445585010 1066591178 /nfs/dbraw/zinc/59/11/78/1066591178.db2.gz IBXZYGHZFPEKIZ-UHFFFAOYSA-N 0 0 450.373 4.579 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)n(C)c2=O)o1 ZINC001361248188 1066591300 /nfs/dbraw/zinc/59/13/00/1066591300.db2.gz IENOLJXEQOCQBQ-OAQYLSRUSA-N 0 0 475.593 4.628 20 0 JJADRN COc1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)ccc1C ZINC001456452633 1066591526 /nfs/dbraw/zinc/59/15/26/1066591526.db2.gz QSCYUHYSABEMLU-UHFFFAOYSA-N 0 0 453.336 4.948 20 0 JJADRN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC)c2ccccc2)c1 ZINC001456454817 1066591549 /nfs/dbraw/zinc/59/15/49/1066591549.db2.gz UQNQQOXLRXVACV-VWLOTQADSA-N 0 0 453.560 4.908 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586354 1066591713 /nfs/dbraw/zinc/59/17/13/1066591713.db2.gz UPOBEYSPDYSHHM-GOTSBHOMSA-N 0 0 456.608 4.524 20 0 JJADRN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586579 1066591757 /nfs/dbraw/zinc/59/17/57/1066591757.db2.gz VZTCOZMDNMDVLY-GOTSBHOMSA-N 0 0 456.608 4.524 20 0 JJADRN CO[C@@H](C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccccc1Br ZINC001456455381 1066591908 /nfs/dbraw/zinc/59/19/08/1066591908.db2.gz MBEOCGHRAIDFES-OAQYLSRUSA-N 0 0 455.308 4.609 20 0 JJADRN CC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001545976905 1066592157 /nfs/dbraw/zinc/59/21/57/1066592157.db2.gz AQMBQPVDLIQOIB-NRFANRHFSA-N 0 0 477.613 4.591 20 0 JJADRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC001456462435 1066592435 /nfs/dbraw/zinc/59/24/35/1066592435.db2.gz IHVLBCLYRFPWLO-UHFFFAOYSA-N 0 0 459.980 4.640 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1 ZINC001445588890 1066592624 /nfs/dbraw/zinc/59/26/24/1066592624.db2.gz QCCSWJYEBJAGQP-IBGZPJMESA-N 0 0 452.580 4.570 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)s2)o1 ZINC001361249040 1066592724 /nfs/dbraw/zinc/59/27/24/1066592724.db2.gz YMSUKXJVHNPRRP-GOSISDBHSA-N 0 0 466.611 4.975 20 0 JJADRN O=C(C[C@@H]1CCCCCN1C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC001445589705 1066592750 /nfs/dbraw/zinc/59/27/50/1066592750.db2.gz YWUNGCCMHRTRCG-SFHVURJKSA-N 0 0 451.972 4.531 20 0 JJADRN Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n[nH]1 ZINC001445590519 1066592831 /nfs/dbraw/zinc/59/28/31/1066592831.db2.gz SOQWHBIFBOYVFB-IERDGZPVSA-N 0 0 459.333 4.975 20 0 JJADRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2csc(Br)n2)CCC1 ZINC001456467906 1066593210 /nfs/dbraw/zinc/59/32/10/1066593210.db2.gz SPVLMQQCSQVFKZ-AWEZNQCLSA-N 0 0 458.422 4.595 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC001456468370 1066593359 /nfs/dbraw/zinc/59/33/59/1066593359.db2.gz XKNLNNMRMBKXNF-UHFFFAOYSA-N 0 0 450.579 4.644 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@@](=O)C(C)(C)C)s1 ZINC001361249702 1066593717 /nfs/dbraw/zinc/59/37/17/1066593717.db2.gz BQSGYBGQVORIRN-MGBGTMOVSA-N 0 0 482.679 4.889 20 0 JJADRN CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccccc1Cl ZINC001445599804 1066593719 /nfs/dbraw/zinc/59/37/19/1066593719.db2.gz WIUYVZOBEXGICY-OALUTQOASA-N 0 0 454.901 4.688 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCO[C@@H](C)C2)o1 ZINC001361249760 1066594168 /nfs/dbraw/zinc/59/41/68/1066594168.db2.gz DPZFEBKGNYAMOU-HOTGVXAUSA-N 0 0 462.392 4.779 20 0 JJADRN C[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001445601125 1066594217 /nfs/dbraw/zinc/59/42/17/1066594217.db2.gz ORZTWMUNUVQPHE-KEQGGVEFSA-N 0 0 457.393 4.843 20 0 JJADRN Cc1sc(=O)n(CC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c1-c1ccccc1 ZINC001456477299 1066594188 /nfs/dbraw/zinc/59/41/88/1066594188.db2.gz MDMVHXGNAQELAK-UHFFFAOYSA-N 0 0 451.592 4.554 20 0 JJADRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001456475923 1066594266 /nfs/dbraw/zinc/59/42/66/1066594266.db2.gz ILYKAAZAZPIDRS-VGOFRKELSA-N 0 0 453.583 4.817 20 0 JJADRN CCOc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2ccccc2Br)CC1=O ZINC001445604605 1066594546 /nfs/dbraw/zinc/59/45/46/1066594546.db2.gz ZCLFULHYMTYYJW-APWZRJJASA-N 0 0 457.368 4.564 20 0 JJADRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3ccc(Br)cc3O)n2c1 ZINC001456479776 1066594752 /nfs/dbraw/zinc/59/47/52/1066594752.db2.gz UMMVWRKLNAFXFV-UHFFFAOYSA-N 0 0 454.299 4.847 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNC(=O)C(C)C)s1 ZINC001361249994 1066595090 /nfs/dbraw/zinc/59/50/90/1066595090.db2.gz NISSCXICFUHLEV-UHFFFAOYSA-N 0 0 477.638 4.504 20 0 JJADRN CCc1nc([C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cs1 ZINC001456483074 1066595375 /nfs/dbraw/zinc/59/53/75/1066595375.db2.gz ARPSOGAOLSAISK-OAHLLOKOSA-N 0 0 453.593 4.575 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)(C)C)o1 ZINC001361250042 1066595762 /nfs/dbraw/zinc/59/57/62/1066595762.db2.gz OUUJFASYMOLQLN-MRXNPFEDSA-N 0 0 469.655 4.974 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001456483504 1066595789 /nfs/dbraw/zinc/59/57/89/1066595789.db2.gz BMSNLWDFGURIAZ-WTOYTKOKSA-N 0 0 453.421 4.782 20 0 JJADRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2 ZINC001445633700 1066596163 /nfs/dbraw/zinc/59/61/63/1066596163.db2.gz VBRHRMINTOOVGZ-MAUKXSAKSA-N 0 0 458.628 4.968 20 0 JJADRN CCCC[C@@H](CCC)CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC001445632284 1066596179 /nfs/dbraw/zinc/59/61/79/1066596179.db2.gz PMFFYQLRCYIMLU-XLIONFOSSA-N 0 0 452.437 4.846 20 0 JJADRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc3n1CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2 ZINC001445633707 1066596293 /nfs/dbraw/zinc/59/62/93/1066596293.db2.gz VBRHRMINTOOVGZ-QAPCUYQASA-N 0 0 458.628 4.968 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(F)c2)o1 ZINC001361250087 1066596396 /nfs/dbraw/zinc/59/63/96/1066596396.db2.gz QEJDJBVMEJECML-UHFFFAOYSA-N 0 0 458.335 4.771 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001456487164 1066596852 /nfs/dbraw/zinc/59/68/52/1066596852.db2.gz HFYSVLUHAUAICH-MHZLTWQESA-N 0 0 451.611 4.919 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)NC(C)(C)C)o1 ZINC001361250328 1066596807 /nfs/dbraw/zinc/59/68/07/1066596807.db2.gz VVEJNBPIUKUDHL-UHFFFAOYSA-N 0 0 492.393 4.689 20 0 JJADRN CCc1ccc(-n2nc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c3c2CCC3)cc1 ZINC001456489288 1066597414 /nfs/dbraw/zinc/59/74/14/1066597414.db2.gz JTLICIXUBZUYAE-AREMUKBSSA-N 0 0 454.615 4.593 20 0 JJADRN CCCN(C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639399 1066597500 /nfs/dbraw/zinc/59/75/00/1066597500.db2.gz VINYQXBJQRLHJG-RBUKOAKNSA-N 0 0 467.651 4.708 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CCN1C(=O)OC(C)(C)C ZINC001456489169 1066597445 /nfs/dbraw/zinc/59/74/45/1066597445.db2.gz HCXBWENTSQJYKS-LEWJYISDSA-N 0 0 458.628 4.749 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2NC(=O)CC2(C)C)o1 ZINC001361251060 1066597776 /nfs/dbraw/zinc/59/77/76/1066597776.db2.gz HGJGVNSFRIAQPF-HSZRJFAPSA-N 0 0 479.625 4.823 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001445642516 1066597856 /nfs/dbraw/zinc/59/78/56/1066597856.db2.gz ANPFHJXTEVFTHR-UHFFFAOYSA-N 0 0 457.452 4.845 20 0 JJADRN COc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1O ZINC001445644262 1066597974 /nfs/dbraw/zinc/59/79/74/1066597974.db2.gz GBVDXAGRMXIGRQ-YIXXDRMTSA-N 0 0 458.558 4.539 20 0 JJADRN O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 ZINC001445645629 1066598068 /nfs/dbraw/zinc/59/80/68/1066598068.db2.gz KSULJEOEMKZFLS-UHFFFAOYSA-N 0 0 452.963 4.795 20 0 JJADRN C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@H](C)Oc1ccccc1 ZINC001456491603 1066598027 /nfs/dbraw/zinc/59/80/27/1066598027.db2.gz JCBNJIVTYASTNS-IRXDYDNUSA-N 0 0 451.348 4.834 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC001445651548 1066598621 /nfs/dbraw/zinc/59/86/21/1066598621.db2.gz ROAXFPHGSQOPPA-UHFFFAOYSA-N 0 0 450.560 4.554 20 0 JJADRN O=C(Cc1csc(-c2cccs2)n1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001456493513 1066598869 /nfs/dbraw/zinc/59/88/69/1066598869.db2.gz XSZSCJVBBAAUMA-UHFFFAOYSA-N 0 0 450.507 4.953 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccc4cccnc43)n2CCCN(C)CC(F)(F)F)o1 ZINC001361251463 1066598934 /nfs/dbraw/zinc/59/89/34/1066598934.db2.gz SUOUENNMCPZUBB-UHFFFAOYSA-N 0 0 472.515 4.915 20 0 JJADRN CC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545977497 1066598981 /nfs/dbraw/zinc/59/89/81/1066598981.db2.gz MQUFPAHWESETDD-SVFBPWRDSA-N 0 0 479.629 4.526 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccc(OC)c(O)c2)cc1 ZINC001445654908 1066599038 /nfs/dbraw/zinc/59/90/38/1066599038.db2.gz YMOMMMKRSCTAER-UHFFFAOYSA-N 0 0 457.530 4.593 20 0 JJADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001456493841 1066599081 /nfs/dbraw/zinc/59/90/81/1066599081.db2.gz OWNQNMNRYWIXFQ-VWLOTQADSA-N 0 0 458.578 4.559 20 0 JJADRN C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456492609 1066599094 /nfs/dbraw/zinc/59/90/94/1066599094.db2.gz MQNJSMJWHUKXRU-VQIMIIECSA-N 0 0 455.274 4.747 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc(OCC(F)(F)F)nc3)s2)cc1 ZINC001456495970 1066599324 /nfs/dbraw/zinc/59/93/24/1066599324.db2.gz BEVAWRLBWOYCCZ-GFCCVEGCSA-N 0 0 451.470 4.954 20 0 JJADRN C[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456494559 1066599377 /nfs/dbraw/zinc/59/93/77/1066599377.db2.gz RDGSTXHGJYYOBC-LJQANCHMSA-N 0 0 452.514 4.799 20 0 JJADRN CC(C)n1ncc(C(=O)NCC(C)(C)CCCc2ccccc2)c1I ZINC001456495784 1066599444 /nfs/dbraw/zinc/59/94/44/1066599444.db2.gz UCNDPAJUBJJJIP-UHFFFAOYSA-N 0 0 453.368 4.848 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456495715 1066599537 /nfs/dbraw/zinc/59/95/37/1066599537.db2.gz TUUJHGCZFQHTJS-HNNXBMFYSA-N 0 0 451.548 4.564 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCO[C@H](C)C2)CCO1 ZINC001546082864 1066599717 /nfs/dbraw/zinc/59/97/17/1066599717.db2.gz FAFNFOWOECDLMX-INGGGZDUSA-N 0 0 456.631 4.855 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c3c2CCC3)c(C)c1 ZINC001456496256 1066599936 /nfs/dbraw/zinc/59/99/36/1066599936.db2.gz UYPCUKQRMDDRBB-SANMLTNESA-N 0 0 454.615 4.647 20 0 JJADRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)s2)cc1 ZINC001456496047 1066599946 /nfs/dbraw/zinc/59/99/46/1066599946.db2.gz BKLXTTDPORJZOZ-HUUCEWRRSA-N 0 0 458.605 4.512 20 0 JJADRN O=C(COc1ccc(Br)cc1Cl)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001445666935 1066599950 /nfs/dbraw/zinc/59/99/50/1066599950.db2.gz FJPHTZAFBNOCAT-CQSZACIVSA-N 0 0 453.547 4.638 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2CC(F)(F)Br)CCO1 ZINC001546082874 1066600380 /nfs/dbraw/zinc/60/03/80/1066600380.db2.gz FDQNGIMSDKAWPU-MRXNPFEDSA-N 0 0 494.178 4.701 20 0 JJADRN Cc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)s1 ZINC001361252717 1066600470 /nfs/dbraw/zinc/60/04/70/1066600470.db2.gz QFMISHXBPCVHOL-LAUBAEHRSA-N 0 0 484.670 4.935 20 0 JJADRN CC(C)C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)C(=O)OCc1ccccc1 ZINC001456498730 1066600919 /nfs/dbraw/zinc/60/09/19/1066600919.db2.gz AJHKWXJYUIURAL-FQEVSTJZSA-N 0 0 457.368 4.747 20 0 JJADRN COc1ccc(SC)c(OC)c1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001456498257 1066601039 /nfs/dbraw/zinc/60/10/39/1066601039.db2.gz ZRCZMZJESYUTAI-UHFFFAOYSA-N 0 0 458.580 4.971 20 0 JJADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC001456499002 1066601089 /nfs/dbraw/zinc/60/10/89/1066601089.db2.gz UFSQVMRLWSMLHC-UHFFFAOYSA-N 0 0 458.628 4.564 20 0 JJADRN Cc1ccccc1[C@H](O)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001445675980 1066601084 /nfs/dbraw/zinc/60/10/84/1066601084.db2.gz YSSWFQYNKYOCGA-OAQYLSRUSA-N 0 0 459.329 4.723 20 0 JJADRN COc1ccc(-c2ncc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)s2)cc1 ZINC001456499526 1066601676 /nfs/dbraw/zinc/60/16/76/1066601676.db2.gz CXAMJHMHICGVBZ-HNNXBMFYSA-N 0 0 458.381 4.590 20 0 JJADRN COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001456499618 1066601714 /nfs/dbraw/zinc/60/17/14/1066601714.db2.gz DIUWSJBHPCJOBC-CYBMUJFWSA-N 0 0 459.718 4.598 20 0 JJADRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001445681046 1066601729 /nfs/dbraw/zinc/60/17/29/1066601729.db2.gz SMRWDWKGOAQGEZ-KSFYIVLOSA-N 0 0 456.990 4.514 20 0 JJADRN CCOCCCn1c2ccccc2nc1NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001361253747 1066601862 /nfs/dbraw/zinc/60/18/62/1066601862.db2.gz GRMILCCYHPQGGM-UHFFFAOYSA-N 0 0 456.546 4.748 20 0 JJADRN COc1cccc([C@H](OC)C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1 ZINC001361253968 1066601875 /nfs/dbraw/zinc/60/18/75/1066601875.db2.gz LHVYCZNMSYNTDH-NRFANRHFSA-N 0 0 452.473 4.655 20 0 JJADRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccccc3S(=O)(=O)C(C)C)s2)cc1 ZINC001456501222 1066602263 /nfs/dbraw/zinc/60/22/63/1066602263.db2.gz VCUVLZLBUUQDSP-HNNXBMFYSA-N 0 0 458.605 4.800 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Br)C3)nc2)c1 ZINC001456500384 1066602288 /nfs/dbraw/zinc/60/22/88/1066602288.db2.gz FBZIDVKQJDQFDR-KRWDZBQOSA-N 0 0 452.352 4.954 20 0 JJADRN Cc1ccc(Cn2cc(C(=O)Nc3ccnc(C(=O)N(C)C)c3)c(-c3ccc(C)cc3)n2)cc1 ZINC001456501007 1066602466 /nfs/dbraw/zinc/60/24/66/1066602466.db2.gz MICLSCCRMJZCIH-UHFFFAOYSA-N 0 0 453.546 4.564 20 0 JJADRN COc1cc(N[C@H]2CCCN(C(=O)c3csc(Cc4cccc(F)c4)n3)C2)cc(OC)c1 ZINC001445682560 1066602535 /nfs/dbraw/zinc/60/25/35/1066602535.db2.gz BPHNUFOMHMMHTO-SFHVURJKSA-N 0 0 455.555 4.607 20 0 JJADRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C(F)(F)F)c(OC)c2)CC1 ZINC001445681893 1066602548 /nfs/dbraw/zinc/60/25/48/1066602548.db2.gz IGLAQURZSLGMJE-UHFFFAOYSA-N 0 0 454.514 4.933 20 0 JJADRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001456502272 1066602872 /nfs/dbraw/zinc/60/28/72/1066602872.db2.gz UJISICVBAFIMKQ-XMMPIXPASA-N 0 0 453.579 4.747 20 0 JJADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC001445684339 1066602957 /nfs/dbraw/zinc/60/29/57/1066602957.db2.gz DDEXIFNZSLWRQD-QFIPXVFZSA-N 0 0 450.897 4.665 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC001361255052 1066603086 /nfs/dbraw/zinc/60/30/86/1066603086.db2.gz GMUIBBXRMVSHTR-FQEVSTJZSA-N 0 0 478.515 4.837 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2cccnc2OCC(F)(F)F)o1 ZINC001361255368 1066603630 /nfs/dbraw/zinc/60/36/30/1066603630.db2.gz KEEBAPQRCDORGG-UHFFFAOYSA-N 0 0 451.493 4.789 20 0 JJADRN Cc1ccc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCS2)o1 ZINC001361255855 1066603815 /nfs/dbraw/zinc/60/38/15/1066603815.db2.gz RFIRSOCTLZKIAS-FQEVSTJZSA-N 0 0 475.659 4.826 20 0 JJADRN COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001361256373 1066604170 /nfs/dbraw/zinc/60/41/70/1066604170.db2.gz ATTBUKHDOWVRAI-CYBMUJFWSA-N 0 0 455.769 4.571 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)c(C)c1 ZINC001361256369 1066604302 /nfs/dbraw/zinc/60/43/02/1066604302.db2.gz ASEPKLBXVIAAFM-UHFFFAOYSA-N 0 0 456.608 4.572 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC001445691201 1066604355 /nfs/dbraw/zinc/60/43/55/1066604355.db2.gz VYELZMJCNCKUBQ-WMZOPIPTSA-N 0 0 458.484 4.832 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456505002 1066604277 /nfs/dbraw/zinc/60/42/77/1066604277.db2.gz IYIKQJCMDAKCGZ-UHFFFAOYSA-N 0 0 458.360 4.500 20 0 JJADRN COc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2O)ccc1OCc1ccc(Br)cc1 ZINC001456505273 1066604345 /nfs/dbraw/zinc/60/43/45/1066604345.db2.gz DTGXDORQRDDFCE-PXNSSMCTSA-N 0 0 462.384 4.708 20 0 JJADRN COc1cccc([C@H](C)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001361256693 1066605060 /nfs/dbraw/zinc/60/50/60/1066605060.db2.gz FYHRFKLFIAFSDF-HJPURHCSSA-N 0 0 457.979 4.761 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1 ZINC001456507487 1066605026 /nfs/dbraw/zinc/60/50/26/1066605026.db2.gz RDCYDPWYRHYIQV-VWLOTQADSA-N 0 0 450.604 4.679 20 0 JJADRN Cn1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c(C2CCCCC2)n1 ZINC001456507341 1066605035 /nfs/dbraw/zinc/60/50/35/1066605035.db2.gz OAFVUDFSMLTDRE-UHFFFAOYSA-N 0 0 456.388 4.922 20 0 JJADRN CCN(c1ccccc1)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1 ZINC001456507484 1066605105 /nfs/dbraw/zinc/60/51/05/1066605105.db2.gz RDCYDPWYRHYIQV-RUZDIDTESA-N 0 0 450.604 4.679 20 0 JJADRN O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cn1 ZINC001445693053 1066605037 /nfs/dbraw/zinc/60/50/37/1066605037.db2.gz WZLASLOHGVYXQT-MHZLTWQESA-N 0 0 454.526 4.703 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(NCc2ccccn2)c1 ZINC001445693555 1066605064 /nfs/dbraw/zinc/60/50/64/1066605064.db2.gz YIFMYPIKZFFULU-HHHXNRCGSA-N 0 0 453.542 4.736 20 0 JJADRN CCOC(=O)[C@@]1(NC(=O)c2ccc(SCc3csc(C)n3)cc2)CCc2ccccc21 ZINC001456509335 1066605652 /nfs/dbraw/zinc/60/56/52/1066605652.db2.gz SQCSBUARLZDDLT-XMMPIXPASA-N 0 0 452.601 4.878 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)o1 ZINC001361257865 1066606229 /nfs/dbraw/zinc/60/62/29/1066606229.db2.gz JSOMXYKSJJZGIS-UHFFFAOYSA-N 0 0 450.974 4.569 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)o1 ZINC001361257877 1066606294 /nfs/dbraw/zinc/60/62/94/1066606294.db2.gz KCIGDYOBIOLCMS-SFHVURJKSA-N 0 0 467.614 4.876 20 0 JJADRN CC[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC(C)C)c1ccccc1 ZINC001545978035 1066606311 /nfs/dbraw/zinc/60/63/11/1066606311.db2.gz WOWVUQDDFDAPEA-FQEVSTJZSA-N 0 0 468.671 4.914 20 0 JJADRN O=C(CSc1ccc(F)c(F)c1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC001456510779 1066606328 /nfs/dbraw/zinc/60/63/28/1066606328.db2.gz VJQBMWKSWYGOER-UHFFFAOYSA-N 0 0 452.324 4.897 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC001361257937 1066606343 /nfs/dbraw/zinc/60/63/43/1066606343.db2.gz LYDRRBJFBOCZSQ-GOSISDBHSA-N 0 0 481.950 4.944 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CCCc2nnc(C)s2)s1 ZINC001361257813 1066606368 /nfs/dbraw/zinc/60/63/68/1066606368.db2.gz JCFYXGSTKXAJEF-UHFFFAOYSA-N 0 0 456.616 4.807 20 0 JJADRN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2cccc(Cl)c2)CCCCC1 ZINC001445701292 1066606380 /nfs/dbraw/zinc/60/63/80/1066606380.db2.gz CYPYFBDYVCBIQE-IBGZPJMESA-N 0 0 450.362 4.816 20 0 JJADRN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001445699403 1066606425 /nfs/dbraw/zinc/60/64/25/1066606425.db2.gz ALDARUKXQRRGCB-LJQANCHMSA-N 0 0 450.362 4.816 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCSCC(F)(F)F)CCO1 ZINC001546082953 1066607136 /nfs/dbraw/zinc/60/71/36/1066607136.db2.gz GTJGRPHOMWZWNC-FOIQADDNSA-N 0 0 476.540 4.858 20 0 JJADRN O=C(Cc1cc(Cl)ccc1Cl)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001445704217 1066607068 /nfs/dbraw/zinc/60/70/68/1066607068.db2.gz BJCFKJUVTSDJHU-CYBMUJFWSA-N 0 0 452.691 4.998 20 0 JJADRN C/C=C/COc1cccc(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001445705599 1066607426 /nfs/dbraw/zinc/60/74/26/1066607426.db2.gz CLDUOERHDIULOT-YATRRXNKSA-N 0 0 453.892 4.646 20 0 JJADRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)cc1 ZINC001445705070 1066607666 /nfs/dbraw/zinc/60/76/66/1066607666.db2.gz TVIZPECTPBOPGE-KSFYIVLOSA-N 0 0 458.990 4.658 20 0 JJADRN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1OC(F)(F)F ZINC001445706809 1066607689 /nfs/dbraw/zinc/60/76/89/1066607689.db2.gz FGPPEAGFQTZRBO-LLVKDONJSA-N 0 0 453.770 4.661 20 0 JJADRN Cc1ccc(CN(C)c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)s1 ZINC001361258457 1066608507 /nfs/dbraw/zinc/60/85/07/1066608507.db2.gz UJCRTABRNGYKEC-UHFFFAOYSA-N 0 0 464.542 4.794 20 0 JJADRN CCOc1ccc2cc(C(=O)N[C@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)[nH]c2c1 ZINC001445708570 1066608532 /nfs/dbraw/zinc/60/85/32/1066608532.db2.gz GMQWKXSMWIVGIO-AWEZNQCLSA-N 0 0 452.864 4.643 20 0 JJADRN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2ccc(F)cc2F)n1 ZINC001445709974 1066608541 /nfs/dbraw/zinc/60/85/41/1066608541.db2.gz ITRDKSFJEDBGOY-HNNXBMFYSA-N 0 0 459.928 4.640 20 0 JJADRN CC/C(=C\C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(OC)cc1 ZINC001445712429 1066609257 /nfs/dbraw/zinc/60/92/57/1066609257.db2.gz NSHSGEAVEOFVLQ-SHRNQRGKSA-N 0 0 453.892 4.951 20 0 JJADRN Cn1nc(Br)cc1C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 ZINC001456515258 1066609212 /nfs/dbraw/zinc/60/92/12/1066609212.db2.gz CBDZFFWKWOJCKT-UHFFFAOYSA-N 0 0 456.325 4.746 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)o1 ZINC001361259246 1066609766 /nfs/dbraw/zinc/60/97/66/1066609766.db2.gz WDQQCWMWBBRMJL-UHFFFAOYSA-N 0 0 471.483 4.900 20 0 JJADRN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC[C@H](O)c2ccccc2)s1 ZINC001445716088 1066609816 /nfs/dbraw/zinc/60/98/16/1066609816.db2.gz MAFXKBNPLCOJQN-NRFANRHFSA-N 0 0 459.571 4.955 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)c1noc(C)n1 ZINC001456518324 1066610369 /nfs/dbraw/zinc/61/03/69/1066610369.db2.gz LUXWXEMENHTDBU-SFHVURJKSA-N 0 0 454.939 4.991 20 0 JJADRN Cc1ccc2c(CC(=O)NCc3ccc(Br)cc3N3CCOCC3)coc2c1C ZINC001445718683 1066610515 /nfs/dbraw/zinc/61/05/15/1066610515.db2.gz HVVCKRLRHGBEFR-UHFFFAOYSA-N 0 0 457.368 4.508 20 0 JJADRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC001445718674 1066610541 /nfs/dbraw/zinc/61/05/41/1066610541.db2.gz HGIHTOLJZUQGHK-VGSWGCGISA-N 0 0 456.558 4.928 20 0 JJADRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001456521310 1066610984 /nfs/dbraw/zinc/61/09/84/1066610984.db2.gz WVARIIQVFQPLCX-VPUSJEBWSA-N 0 0 456.586 4.761 20 0 JJADRN CC(C)c1ccc2cc(C(=O)NCc3ccc(Br)cc3N3CCOCC3)[nH]c2c1 ZINC001445721898 1066610989 /nfs/dbraw/zinc/61/09/89/1066610989.db2.gz RJJIBKCODARWLP-UHFFFAOYSA-N 0 0 456.384 4.820 20 0 JJADRN Cc1nc(CCC(=O)N(CCCO)Cc2ccccc2)oc1-c1ccc(Br)cc1 ZINC001445720662 1066611252 /nfs/dbraw/zinc/61/12/52/1066611252.db2.gz LFZAMIRLXFDXOL-UHFFFAOYSA-N 0 0 457.368 4.756 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)CC(F)(F)F)CCO1 ZINC001546083030 1066611694 /nfs/dbraw/zinc/61/16/94/1066611694.db2.gz HWOYWCZBOQMAIX-CVDCTZTESA-N 0 0 483.579 4.534 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)o1 ZINC001361261005 1066611764 /nfs/dbraw/zinc/61/17/64/1066611764.db2.gz DHRCJBZRXWNMEN-XMSQKQJNSA-N 0 0 485.654 4.649 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)s1 ZINC001361261208 1066612375 /nfs/dbraw/zinc/61/23/75/1066612375.db2.gz KVWKHTGNRGMNRT-QGZVFWFLSA-N 0 0 467.517 4.520 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 ZINC001445731594 1066612566 /nfs/dbraw/zinc/61/25/66/1066612566.db2.gz PJFDSYSPXCMUEE-DMZKTXOQSA-N 0 0 450.341 4.716 20 0 JJADRN Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)s1 ZINC001361261288 1066612786 /nfs/dbraw/zinc/61/27/86/1066612786.db2.gz OCNVWVVJTQPYQJ-UHFFFAOYSA-N 0 0 481.666 4.770 20 0 JJADRN CCS(=O)(=O)c1ccccc1CC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC001456525333 1066612878 /nfs/dbraw/zinc/61/28/78/1066612878.db2.gz TYCKJNZPFIAJFO-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCCC2=O)s1 ZINC001361261543 1066613681 /nfs/dbraw/zinc/61/36/81/1066613681.db2.gz SRACMFXBTAJAGW-FYYLOGMGSA-N 0 0 487.714 4.996 20 0 JJADRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001445747827 1066613738 /nfs/dbraw/zinc/61/37/38/1066613738.db2.gz OEPXSPICRXKUSQ-AWEZNQCLSA-N 0 0 452.473 4.857 20 0 JJADRN Cc1ccc(CN(Cc2ccco2)c2nnc(CC3CC3)n2CCC(=O)NC(C)(C)C)s1 ZINC001361261712 1066614131 /nfs/dbraw/zinc/61/41/31/1066614131.db2.gz HZJJVZKZUYJPIB-UHFFFAOYSA-N 0 0 455.628 4.705 20 0 JJADRN Cc1nc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)sc1C ZINC001456530503 1066614326 /nfs/dbraw/zinc/61/43/26/1066614326.db2.gz XMFNCLQYISSSEE-UHFFFAOYSA-N 0 0 453.530 4.682 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)COCCc3ccc(Br)cc3)cn2)cc1 ZINC001456532227 1066614980 /nfs/dbraw/zinc/61/49/80/1066614980.db2.gz AGLAYHKOUBDGPG-UHFFFAOYSA-N 0 0 457.324 4.843 20 0 JJADRN Cc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)c(C)c1O ZINC001445776070 1066615252 /nfs/dbraw/zinc/61/52/52/1066615252.db2.gz GYNKLSHKBOHQNR-UHFFFAOYSA-N 0 0 455.234 4.623 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3cc(Br)cc4c3OCCO4)cn2)cc1 ZINC001456533184 1066615461 /nfs/dbraw/zinc/61/54/61/1066615461.db2.gz FCNDZQRKXCUQMW-UHFFFAOYSA-N 0 0 457.280 4.669 20 0 JJADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 ZINC001456532604 1066615501 /nfs/dbraw/zinc/61/55/01/1066615501.db2.gz DEVPORFTDDTXHM-UXHICEINSA-N 0 0 450.495 4.779 20 0 JJADRN COc1ccc(Oc2ccc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)cn2)cc1 ZINC001456535453 1066616133 /nfs/dbraw/zinc/61/61/33/1066616133.db2.gz MNFAQCWCRCFPNV-UHFFFAOYSA-N 0 0 450.491 4.855 20 0 JJADRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c1Br ZINC001456534169 1066616146 /nfs/dbraw/zinc/61/61/46/1066616146.db2.gz ZNJZSARJWWPOEK-CQSZACIVSA-N 0 0 455.194 4.905 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)n1C ZINC001456534735 1066616175 /nfs/dbraw/zinc/61/61/75/1066616175.db2.gz KJDKKXKIRLBTLK-UHFFFAOYSA-N 0 0 453.340 4.640 20 0 JJADRN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001456534486 1066616188 /nfs/dbraw/zinc/61/61/88/1066616188.db2.gz PNFWUAKXMTULRQ-NZIDHHNMSA-N 0 0 452.601 4.545 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]3CCCC[C@H]3C2)c(OCC(F)(F)F)c1 ZINC001361263955 1066616609 /nfs/dbraw/zinc/61/66/09/1066616609.db2.gz SFLLBXVVRNKCOJ-MOPGFXCFSA-N 0 0 493.574 4.731 20 0 JJADRN Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCC2CCOCC2)s1 ZINC001361263920 1066616656 /nfs/dbraw/zinc/61/66/56/1066616656.db2.gz QSEQNSSUEPNEGL-UHFFFAOYSA-N 0 0 488.057 4.533 20 0 JJADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(Cc2cccs2)C(C)C)c(F)c1 ZINC001361264042 1066616675 /nfs/dbraw/zinc/61/66/75/1066616675.db2.gz VXIJUKJFIQHPTE-UHFFFAOYSA-N 0 0 464.570 4.898 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)c3cnc4c(OC(F)(F)F)cccc4c3O)cc2)n1 ZINC001445782491 1066616614 /nfs/dbraw/zinc/61/66/14/1066616614.db2.gz IUGFYRBSCXJNKF-UHFFFAOYSA-N 0 0 456.380 4.570 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC[C@@H](O)c2ccc(OC)cc2)cc1 ZINC001445784379 1066616650 /nfs/dbraw/zinc/61/66/50/1066616650.db2.gz IRGWTMFHOITLGT-AREMUKBSSA-N 0 0 455.558 4.882 20 0 JJADRN Cc1ccc(CNC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c(OC[C@@H]2CCCO2)c1 ZINC001445784546 1066616693 /nfs/dbraw/zinc/61/66/93/1066616693.db2.gz KGQPOVHQQDXCIS-IDISGSTGSA-N 0 0 453.579 4.584 20 0 JJADRN Cc1ccc(Oc2ccc(NC(=O)c3cc4ccc(Br)cc4c(=O)o3)cc2)nn1 ZINC001456536454 1066616639 /nfs/dbraw/zinc/61/66/39/1066616639.db2.gz RUFRMJRWGHJZIZ-UHFFFAOYSA-N 0 0 452.264 4.699 20 0 JJADRN COc1ccc(-c2cnc(CCC(=O)NCC3(c4cccc(Br)c4)CC3)o2)cc1 ZINC001456536404 1066616748 /nfs/dbraw/zinc/61/67/48/1066616748.db2.gz QXORGVHMFLHYCZ-UHFFFAOYSA-N 0 0 455.352 4.893 20 0 JJADRN Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001445787486 1066617461 /nfs/dbraw/zinc/61/74/61/1066617461.db2.gz XRSVMHGLUGGCAH-NTKDMRAZSA-N 0 0 457.542 4.971 20 0 JJADRN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001445787473 1066617532 /nfs/dbraw/zinc/61/75/32/1066617532.db2.gz XRSVMHGLUGGCAH-CYFREDJKSA-N 0 0 457.542 4.971 20 0 JJADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCSC3(CCOCC3)C2)c(OCC(F)(F)F)c1 ZINC001361264761 1066617515 /nfs/dbraw/zinc/61/75/15/1066617515.db2.gz UISAKCWDBXRRNE-UHFFFAOYSA-N 0 0 484.588 4.802 20 0 JJADRN CN(C(=O)Cc1ccn(CC(F)(F)F)n1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001456537964 1066617946 /nfs/dbraw/zinc/61/79/46/1066617946.db2.gz ZMFIKOSHRAEZKB-UHFFFAOYSA-N 0 0 458.362 4.857 20 0 JJADRN CC(C)C[C@H](C(=O)NCC1(c2cccc(Br)c2)CC1)N1Cc2ccccc2C1=O ZINC001456537918 1066618023 /nfs/dbraw/zinc/61/80/23/1066618023.db2.gz WVVRDQATHULGOB-OAQYLSRUSA-N 0 0 455.396 4.668 20 0 JJADRN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)CN3CC(=O)N(C)C3=O)cc2F)cc1 ZINC001456537565 1066618032 /nfs/dbraw/zinc/61/80/32/1066618032.db2.gz XGZBJORJERYLRE-MRXNPFEDSA-N 0 0 457.571 4.514 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)c2ccccc2n1 ZINC001456537608 1066618037 /nfs/dbraw/zinc/61/80/37/1066618037.db2.gz WSERDKCKNJIAAM-UHFFFAOYSA-N 0 0 451.324 4.967 20 0 JJADRN CNC(=O)c1cc(Oc2cc(NC(=O)[C@@H](C)Cc3cncc4ccccc43)ccc2C)ccn1 ZINC001361265650 1066618105 /nfs/dbraw/zinc/61/81/05/1066618105.db2.gz DLOXSMXREBJCNZ-SFHVURJKSA-N 0 0 454.530 4.907 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2cc(I)c(Cl)cc2Cl)C12CCC2 ZINC001456538336 1066618713 /nfs/dbraw/zinc/61/87/13/1066618713.db2.gz ZNRJXBIAJAHIDZ-UONOGXRCSA-N 0 0 454.135 4.676 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C)C2)cn1 ZINC001361266766 1066618662 /nfs/dbraw/zinc/61/86/62/1066618662.db2.gz FSRZLGGUQMYHKW-MOPGFXCFSA-N 0 0 455.990 4.665 20 0 JJADRN CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@H](O)c1c(F)cccc1F ZINC001445793249 1066618817 /nfs/dbraw/zinc/61/88/17/1066618817.db2.gz BNILLXZZNJTCRQ-REWPJTCUSA-N 0 0 456.464 4.907 20 0 JJADRN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001456539921 1066619330 /nfs/dbraw/zinc/61/93/30/1066619330.db2.gz RKFHCMCIAASLHV-NXEZZACHSA-N 0 0 451.189 4.806 20 0 JJADRN COc1cc(/C=C(\C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c2ccccc2)ccc1O ZINC001445797436 1066619333 /nfs/dbraw/zinc/61/93/33/1066619333.db2.gz HNUNMRHKDJKFCL-IDUNIDMGSA-N 0 0 455.913 4.972 20 0 JJADRN COc1cc(/C=C(\C(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c2ccccc2)ccc1O ZINC001445797452 1066619369 /nfs/dbraw/zinc/61/93/69/1066619369.db2.gz HNUNMRHKDJKFCL-QFDAGFSHSA-N 0 0 455.913 4.972 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001361267711 1066619937 /nfs/dbraw/zinc/61/99/37/1066619937.db2.gz CDVYWSWRJQSQKX-IBGZPJMESA-N 0 0 499.457 4.524 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)[C@H](O)c1c(F)cccc1F ZINC001445798458 1066620063 /nfs/dbraw/zinc/62/00/63/1066620063.db2.gz GLTCUIDNIHXOQV-AVRDEDQJSA-N 0 0 455.461 4.928 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOC(C)(C)[C@@H]2C)c(F)c1 ZINC001361267730 1066620050 /nfs/dbraw/zinc/62/00/50/1066620050.db2.gz CSQBYBVXDLAJCT-AWEZNQCLSA-N 0 0 462.367 4.535 20 0 JJADRN COc1cc(/C=C(/C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c2ccccc2)ccc1O ZINC001445800977 1066620533 /nfs/dbraw/zinc/62/05/33/1066620533.db2.gz JWUJRLRWNOFZDB-JJEHFPDLSA-N 0 0 457.448 4.810 20 0 JJADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001456542349 1066620740 /nfs/dbraw/zinc/62/07/40/1066620740.db2.gz MHTNETBOMWCKPZ-UHFFFAOYSA-N 0 0 450.560 4.504 20 0 JJADRN O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001456541520 1066620750 /nfs/dbraw/zinc/62/07/50/1066620750.db2.gz KSSBAIBRNKSNTJ-UHFFFAOYSA-N 0 0 451.158 4.947 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCc2nccs2)s1 ZINC001361268016 1066620711 /nfs/dbraw/zinc/62/07/11/1066620711.db2.gz GSFBVDTZMBWOCX-UHFFFAOYSA-N 0 0 463.430 4.589 20 0 JJADRN CC[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC)[C@@H](O)c1c(F)cccc1F ZINC001445802123 1066620613 /nfs/dbraw/zinc/62/06/13/1066620613.db2.gz JOZQXFKJQGJVNU-LAUBAEHRSA-N 0 0 456.518 4.700 20 0 JJADRN CC[C@@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@H](O)c1c(F)cccc1F ZINC001445800371 1066620699 /nfs/dbraw/zinc/62/06/99/1066620699.db2.gz IKBJHNQWKAIIER-BVAGGSTKSA-N 0 0 455.549 4.696 20 0 JJADRN CC[C@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@@H](O)c1c(F)cccc1F ZINC001445800455 1066620731 /nfs/dbraw/zinc/62/07/31/1066620731.db2.gz IKBJHNQWKAIIER-JYFHCDHNSA-N 0 0 455.549 4.696 20 0 JJADRN CCn1c(SCC(=O)N2CC(C)(C)OCC2(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC001456542128 1066620767 /nfs/dbraw/zinc/62/07/67/1066620767.db2.gz DRKNREZSKVCTMK-UHFFFAOYSA-N 0 0 457.427 4.780 20 0 JJADRN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)cc2)c1 ZINC001445804174 1066621235 /nfs/dbraw/zinc/62/12/35/1066621235.db2.gz OPHULJKFHDGIDK-MWTRTKDXSA-N 0 0 454.929 4.569 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC001445805305 1066621268 /nfs/dbraw/zinc/62/12/68/1066621268.db2.gz PQCOURAQKVFWMN-LJQANCHMSA-N 0 0 451.876 4.684 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 ZINC001361268425 1066621303 /nfs/dbraw/zinc/62/13/03/1066621303.db2.gz KTIYMIGLYMFZQI-UHFFFAOYSA-N 0 0 472.431 4.797 20 0 JJADRN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)[C@@H]2C1 ZINC001456545781 1066621387 /nfs/dbraw/zinc/62/13/87/1066621387.db2.gz ISPQEQZEFTZVDP-HNAWSFBYSA-N 0 0 478.372 4.899 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001445812065 1066621943 /nfs/dbraw/zinc/62/19/43/1066621943.db2.gz CNSYCLMKORXGFW-OAHLLOKOSA-N 0 0 455.477 4.773 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnc(C(C)C)nc2)cc1 ZINC001361268652 1066621805 /nfs/dbraw/zinc/62/18/05/1066621805.db2.gz OAQTWWTXLXQGFT-UHFFFAOYSA-N 0 0 494.441 4.953 20 0 JJADRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1=O ZINC001456547147 1066621774 /nfs/dbraw/zinc/62/17/74/1066621774.db2.gz FQEUYONYWUJSPD-SFHVURJKSA-N 0 0 450.922 4.919 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N2CCCCC[C@@H]2c2ccco2)nnc1-c1ccccc1 ZINC001456545905 1066621826 /nfs/dbraw/zinc/62/18/26/1066621826.db2.gz LRQSTYOEGXLMFU-UYAOXDASSA-N 0 0 454.596 4.982 20 0 JJADRN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC001456545879 1066621856 /nfs/dbraw/zinc/62/18/56/1066621856.db2.gz JTHKEPBPDWPFJB-SFHVURJKSA-N 0 0 452.938 4.945 20 0 JJADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C(C)(C)C)C2)c(F)c1 ZINC001361268713 1066621935 /nfs/dbraw/zinc/62/19/35/1066621935.db2.gz OWLYWLNIQPUANE-LJQANCHMSA-N 0 0 476.394 4.783 20 0 JJADRN Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(CCC(C)C)C2CC2)c(=O)n1C ZINC001361268968 1066622580 /nfs/dbraw/zinc/62/25/80/1066622580.db2.gz ZCIXWBUKSYOHAO-IBGZPJMESA-N 0 0 467.589 4.628 20 0 JJADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)cn1 ZINC001361269020 1066622629 /nfs/dbraw/zinc/62/26/29/1066622629.db2.gz ZGBIEHXVKUJISJ-XMSQKQJNSA-N 0 0 455.603 4.887 20 0 JJADRN C[C@H](NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC001445817857 1066622572 /nfs/dbraw/zinc/62/25/72/1066622572.db2.gz MHZSLWDBBBRNMX-RBZFPXEDSA-N 0 0 454.350 4.566 20 0 JJADRN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001545978981 1066622659 /nfs/dbraw/zinc/62/26/59/1066622659.db2.gz PRZUTMIKEKHRJD-LBPRGKRZSA-N 0 0 458.868 4.620 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001445815220 1066622698 /nfs/dbraw/zinc/62/26/98/1066622698.db2.gz KSUROXJQRRLVBV-RVPKQNPDSA-N 0 0 451.272 4.878 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2sc(C)nc2C)CCO1 ZINC001546083219 1066622686 /nfs/dbraw/zinc/62/26/86/1066622686.db2.gz KSIVMBNXQYQEFX-BXKMTCNYSA-N 0 0 473.618 4.879 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001456547847 1066622710 /nfs/dbraw/zinc/62/27/10/1066622710.db2.gz RVZJNOKVVSWRFI-NTKDMRAZSA-N 0 0 459.428 4.959 20 0 JJADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1OCC(F)(F)F ZINC001361269130 1066622959 /nfs/dbraw/zinc/62/29/59/1066622959.db2.gz YXNVPDFKUORBHK-SFHVURJKSA-N 0 0 497.562 4.625 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@H]2C2OCCO2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001456553314 1066623058 /nfs/dbraw/zinc/62/30/58/1066623058.db2.gz RYUINHNRUHXTGK-SFHVURJKSA-N 0 0 450.322 4.615 20 0 JJADRN C[C@@H]1CN(c2ccc(NC(=O)c3ncccc3Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361269760 1066623799 /nfs/dbraw/zinc/62/37/99/1066623799.db2.gz CSRVWRPPVKTWAQ-TXEJJXNPSA-N 0 0 458.278 4.729 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)c1C ZINC001456554095 1066623874 /nfs/dbraw/zinc/62/38/74/1066623874.db2.gz FBIOXGBEKRNPOJ-OAHLLOKOSA-N 0 0 456.266 4.580 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)cc2)cc1 ZINC001361271013 1066624263 /nfs/dbraw/zinc/62/42/63/1066624263.db2.gz OMZQUFHODHBKJL-FQEVSTJZSA-N 0 0 450.604 4.916 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001361270692 1066624268 /nfs/dbraw/zinc/62/42/68/1066624268.db2.gz MMNNHWZEGWKSHS-OAHLLOKOSA-N 0 0 451.361 4.894 20 0 JJADRN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 ZINC001445827658 1066624414 /nfs/dbraw/zinc/62/44/14/1066624414.db2.gz SGSFZWCCXSOYBU-QGZVFWFLSA-N 0 0 453.624 4.508 20 0 JJADRN CC(C)(C)c1ccc([C@H](O)CCC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC001445835657 1066624868 /nfs/dbraw/zinc/62/48/68/1066624868.db2.gz SIWVRRBUFJKKDO-PKOBYXMFSA-N 0 0 454.394 4.661 20 0 JJADRN Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)nnn1Cc1ccc(F)cc1F ZINC001456561247 1066625081 /nfs/dbraw/zinc/62/50/81/1066625081.db2.gz BZJFEFPOFAEHGD-HSZRJFAPSA-N 0 0 450.464 4.766 20 0 JJADRN COc1ccc(Cn2cc(C(=O)N3CCC[C@]3(C)Cc3ccc(Cl)s3)cn2)cc1OC ZINC001456562148 1066625467 /nfs/dbraw/zinc/62/54/67/1066625467.db2.gz DHBDFAQRKZSCRA-HSZRJFAPSA-N 0 0 459.999 4.901 20 0 JJADRN C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)[C@@H](O)Cc1ccccc1 ZINC001545979174 1066625699 /nfs/dbraw/zinc/62/56/99/1066625699.db2.gz VSSVXQNZJDXZRS-NYHFZMIOSA-N 0 0 457.357 4.968 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)cn1 ZINC001361272187 1066626292 /nfs/dbraw/zinc/62/62/92/1066626292.db2.gz JZHYUYXOQGLELW-GOSISDBHSA-N 0 0 462.985 4.908 20 0 JJADRN CCOC(=O)Nc1scnc1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001445853136 1066626492 /nfs/dbraw/zinc/62/64/92/1066626492.db2.gz PHZRMLSLFBBNBE-UHFFFAOYSA-N 0 0 450.358 4.946 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cn1 ZINC001361272305 1066626882 /nfs/dbraw/zinc/62/68/82/1066626882.db2.gz FBCXNIAPZMHVHI-XMMPIXPASA-N 0 0 474.653 4.735 20 0 JJADRN CCCC[C@@H](CC)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001456565025 1066627034 /nfs/dbraw/zinc/62/70/34/1066627034.db2.gz WVPZPEAJRFCUKW-LJQANCHMSA-N 0 0 455.640 4.519 20 0 JJADRN Cc1nc(SCCC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)n[nH]1 ZINC001456564906 1066627059 /nfs/dbraw/zinc/62/70/59/1066627059.db2.gz OXIPRWUJPMIKCL-UHFFFAOYSA-N 0 0 453.406 4.956 20 0 JJADRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ccc(Nc3ccccc3OC)cc2)CC1 ZINC001456565837 1066627092 /nfs/dbraw/zinc/62/70/92/1066627092.db2.gz YAALXICRLMITQM-UHFFFAOYSA-N 0 0 450.457 4.787 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)CC[C@H]2C)c(=O)n1C ZINC001361272804 1066627639 /nfs/dbraw/zinc/62/76/39/1066627639.db2.gz QQRBLTCITPDCIH-GOEBONIOSA-N 0 0 488.405 4.527 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cn1 ZINC001445863458 1066627885 /nfs/dbraw/zinc/62/78/85/1066627885.db2.gz RNHGRBIFIGUMMP-UHFFFAOYSA-N 0 0 455.308 4.852 20 0 JJADRN C[C@@H]1CN(C(=O)c2ccc(Br)nc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC001361273080 1066628146 /nfs/dbraw/zinc/62/81/46/1066628146.db2.gz MEXLFRICHQYTGG-MRXNPFEDSA-N 0 0 450.336 4.674 20 0 JJADRN CCCc1c(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C)c1 ZINC001445866925 1066628438 /nfs/dbraw/zinc/62/84/38/1066628438.db2.gz LEDBRRARCKVLCB-LJQANCHMSA-N 0 0 459.512 4.733 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1cc(F)ccc1F ZINC001456570615 1066628477 /nfs/dbraw/zinc/62/84/77/1066628477.db2.gz UDRAFVAWMLGYLH-CQSZACIVSA-N 0 0 455.690 4.843 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)COC)CCO1 ZINC001546083398 1066628509 /nfs/dbraw/zinc/62/85/09/1066628509.db2.gz MVVYKRIZHYGRCU-HXOBKFHXSA-N 0 0 451.011 4.749 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)COC)CCO1 ZINC001546083512 1066629099 /nfs/dbraw/zinc/62/90/99/1066629099.db2.gz OPWLWSOPUGZRCM-XDHUDOTRSA-N 0 0 455.628 4.665 20 0 JJADRN CCc1c(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC001456572416 1066629142 /nfs/dbraw/zinc/62/91/42/1066629142.db2.gz XULSKLSWZJGTEE-HJPURHCSSA-N 0 0 456.974 4.776 20 0 JJADRN Cc1noc(Cc2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2)n1 ZINC001456573880 1066629501 /nfs/dbraw/zinc/62/95/01/1066629501.db2.gz YWZMXBRRRBAMEU-XMMPIXPASA-N 0 0 456.502 4.575 20 0 JJADRN O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001445871742 1066629707 /nfs/dbraw/zinc/62/97/07/1066629707.db2.gz XQYLBNPQWCXYQI-UHFFFAOYSA-N 0 0 451.256 4.706 20 0 JJADRN COc1cccc(OCCCNC(=O)c2cccnc2Oc2ccc(Br)cc2)c1 ZINC001456579760 1066630356 /nfs/dbraw/zinc/63/03/56/1066630356.db2.gz HZKYEAFLBJZZRJ-UHFFFAOYSA-N 0 0 457.324 4.844 20 0 JJADRN CCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001456578732 1066630363 /nfs/dbraw/zinc/63/03/63/1066630363.db2.gz QZTARNLASJWNHG-DHIUTWEWSA-N 0 0 458.624 4.568 20 0 JJADRN COc1ccc(N(CCc2ccccc2)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC001456577459 1066630401 /nfs/dbraw/zinc/63/04/01/1066630401.db2.gz LRHDNCLREQIDNO-HSZRJFAPSA-N 0 0 451.611 4.739 20 0 JJADRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC001456580770 1066630904 /nfs/dbraw/zinc/63/09/04/1066630904.db2.gz RAHDBWIVWVEIEL-UHFFFAOYSA-N 0 0 452.986 4.595 20 0 JJADRN COc1cc(-c2noc(CCCCCNC(=O)Cc3ccc(C(C)(C)C)cc3)n2)ccc1O ZINC001445889003 1066630930 /nfs/dbraw/zinc/63/09/30/1066630930.db2.gz XLRIOWZWNMWNNY-UHFFFAOYSA-N 0 0 451.567 4.820 20 0 JJADRN COCCNC(=O)c1ccc(Cl)c(NC(=O)C/C=C/c2ccc(Br)cc2)c1 ZINC001361274398 1066631672 /nfs/dbraw/zinc/63/16/72/1066631672.db2.gz JOWVTVHVVUGLBS-NSCUHMNNSA-N 0 0 451.748 4.521 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Br)c(I)c1)[C@H]1CCCCO1 ZINC001361275279 1066632127 /nfs/dbraw/zinc/63/21/27/1066632127.db2.gz UTYDMCYZRVXEMS-CYBMUJFWSA-N 0 0 452.130 4.588 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Br)c(I)c1)[C@@H]1CCCCO1 ZINC001361275287 1066632184 /nfs/dbraw/zinc/63/21/84/1066632184.db2.gz UTYDMCYZRVXEMS-ZDUSSCGKSA-N 0 0 452.130 4.588 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@H](Nc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001445902625 1066632444 /nfs/dbraw/zinc/63/24/44/1066632444.db2.gz QDKZYXYUECILHA-NMMYMHLASA-N 0 0 457.977 4.880 20 0 JJADRN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C1 ZINC001456585483 1066632891 /nfs/dbraw/zinc/63/28/91/1066632891.db2.gz CCLQLCLJSKBVGW-SANMLTNESA-N 0 0 455.599 4.881 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001445904429 1066632958 /nfs/dbraw/zinc/63/29/58/1066632958.db2.gz SYKGANVXPVNODN-HXUWFJFHSA-N 0 0 453.384 4.968 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCC[C@@H](Nc4ccccc4)C3)[nH]c(=O)c2c1C ZINC001445904946 1066633067 /nfs/dbraw/zinc/63/30/67/1066633067.db2.gz UPMPVIURIKBBGT-SJLPKXTDSA-N 0 0 456.637 4.739 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC001445907665 1066633136 /nfs/dbraw/zinc/63/31/36/1066633136.db2.gz GWDXPGZBXHHFOS-UHFFFAOYSA-N 0 0 456.442 4.727 20 0 JJADRN COC(=O)[C@@H]1O[C@@H](C(=O)Oc2ccc(Sc3ccnc4cc(Cl)ccc43)cc2)C[C@H]1C ZINC001361276000 1066633653 /nfs/dbraw/zinc/63/36/53/1066633653.db2.gz QOWVZESBCVJZQK-WHIIXXIBSA-N 0 0 457.935 4.911 20 0 JJADRN Cc1nc2cc(C(=O)NCc3ccc(O)c(Br)c3)ccc2n1Cc1ccsc1 ZINC001445911248 1066633774 /nfs/dbraw/zinc/63/37/74/1066633774.db2.gz NEXDPGMZQDIXED-UHFFFAOYSA-N 0 0 456.365 4.853 20 0 JJADRN CCCN(C(=O)Cc1cc[nH]c(=O)c1Br)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456586943 1066633783 /nfs/dbraw/zinc/63/37/83/1066633783.db2.gz ANMGYRGGAMPSPY-OAQYLSRUSA-N 0 0 458.331 4.655 20 0 JJADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c(C)c1 ZINC001361276689 1066634111 /nfs/dbraw/zinc/63/41/11/1066634111.db2.gz IZVZBGFCKOETQV-LJQANCHMSA-N 0 0 463.586 4.691 20 0 JJADRN CC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)=C(Br)C1)OC ZINC001545979664 1066634456 /nfs/dbraw/zinc/63/44/56/1066634456.db2.gz GGCVBYMVNABEGY-QGZVFWFLSA-N 0 0 472.387 4.904 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCC[C@H](CC)C3)c2)cc1 ZINC001456588320 1066634467 /nfs/dbraw/zinc/63/44/67/1066634467.db2.gz DSRLMKWSQZUEQJ-PMACEKPBSA-N 0 0 458.624 4.917 20 0 JJADRN Cc1cccc([C@@H](O)CNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001445913347 1066634502 /nfs/dbraw/zinc/63/45/02/1066634502.db2.gz UZYRAWYGZDMNBB-UNMCSNQZSA-N 0 0 458.327 4.867 20 0 JJADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(Br)s2)cc1 ZINC001361277198 1066634836 /nfs/dbraw/zinc/63/48/36/1066634836.db2.gz RBORVTAUAGERGW-UHFFFAOYSA-N 0 0 455.385 4.552 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CC(C(=O)Nc2ccc(F)cc2OCC2CC2)=NN1c1ccccc1 ZINC001456590721 1066635008 /nfs/dbraw/zinc/63/50/08/1066635008.db2.gz PEOYNNCIIIYTLG-NRFANRHFSA-N 0 0 453.514 4.530 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545979712 1066635068 /nfs/dbraw/zinc/63/50/68/1066635068.db2.gz HFCHTZWUEJGLGW-GGAORHGYSA-N 0 0 492.624 4.530 20 0 JJADRN O=C(NCCCCSc1ccccc1Br)c1c(C(F)F)nc2cnccn21 ZINC001456588512 1066635089 /nfs/dbraw/zinc/63/50/89/1066635089.db2.gz OJUVKDMTZIFNQI-UHFFFAOYSA-N 0 0 455.328 4.732 20 0 JJADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(F)c1 ZINC001361278132 1066635450 /nfs/dbraw/zinc/63/54/50/1066635450.db2.gz OOTHXTUOFBRHCA-PMACEKPBSA-N 0 0 494.615 4.884 20 0 JJADRN CCCOc1cc(F)ccc1NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001445923626 1066635644 /nfs/dbraw/zinc/63/56/44/1066635644.db2.gz PWNQJMYMDFEMBJ-UHFFFAOYSA-N 0 0 455.555 4.756 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)C1(F)F ZINC001445923924 1066635686 /nfs/dbraw/zinc/63/56/86/1066635686.db2.gz SQFKVWCTTNKNHD-FZKQIMNGSA-N 0 0 478.446 4.853 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001456592462 1066635620 /nfs/dbraw/zinc/63/56/20/1066635620.db2.gz KRDBLYBQLKGZPO-UHFFFAOYSA-N 0 0 454.979 4.952 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 ZINC001456593340 1066636099 /nfs/dbraw/zinc/63/60/99/1066636099.db2.gz GOKKMFDBIYCAMI-SFHVURJKSA-N 0 0 452.501 4.710 20 0 JJADRN Cc1c(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)cnn1-c1cccc(Br)c1 ZINC001456593746 1066636243 /nfs/dbraw/zinc/63/62/43/1066636243.db2.gz BSXZBWMTAAHTOJ-IBGZPJMESA-N 0 0 456.340 4.790 20 0 JJADRN Cc1ccccc1-n1cc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cn1 ZINC001456593248 1066636252 /nfs/dbraw/zinc/63/62/52/1066636252.db2.gz GKGYLPSHUJQOPT-UHFFFAOYSA-N 0 0 452.558 4.772 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)NC[C@@H]3SCCc4ccccc43)o2)CC1 ZINC001361278970 1066636812 /nfs/dbraw/zinc/63/68/12/1066636812.db2.gz LYANSEFQVHGCSE-FQEVSTJZSA-N 0 0 457.596 4.550 20 0 JJADRN CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 ZINC001361279578 1066636830 /nfs/dbraw/zinc/63/68/30/1066636830.db2.gz XTJDCXWTBXGXLJ-GFCCVEGCSA-N 0 0 453.283 4.506 20 0 JJADRN COc1cccc(-n2cc(C(=O)N[C@@H](C)Cc3ccc(OCc4ccc(C)cc4)cc3)nn2)c1 ZINC001361279473 1066636841 /nfs/dbraw/zinc/63/68/41/1066636841.db2.gz GJIQJXLXWZJKGF-FQEVSTJZSA-N 0 0 456.546 4.524 20 0 JJADRN CC[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456597072 1066637421 /nfs/dbraw/zinc/63/74/21/1066637421.db2.gz PMQZKXPPCKHMPF-JKSUJKDBSA-N 0 0 452.448 4.895 20 0 JJADRN COc1cc(CNC(=O)c2ccccc2Oc2cccc(Br)c2)cc(OC)c1O ZINC001445936788 1066637422 /nfs/dbraw/zinc/63/74/22/1066637422.db2.gz GQQHUKKWHZKIIR-UHFFFAOYSA-N 0 0 458.308 4.894 20 0 JJADRN Cc1ccc(COc2ccc(C[C@H](C)NC(=O)COc3ccc4ccc(=O)oc4c3)cc2)cc1 ZINC001361279955 1066637548 /nfs/dbraw/zinc/63/75/48/1066637548.db2.gz QFDHKNHAADUXCE-FQEVSTJZSA-N 0 0 457.526 4.807 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456600298 1066637963 /nfs/dbraw/zinc/63/79/63/1066637963.db2.gz FDXPAENOLRJHML-FTBPSBKWSA-N 0 0 452.595 4.938 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](OCC(C)C)C2)c(OCC(F)(F)F)c1 ZINC001361281230 1066638852 /nfs/dbraw/zinc/63/88/52/1066638852.db2.gz BQHFLJGXNLSBCS-LEWJYISDSA-N 0 0 496.574 4.721 20 0 JJADRN C[C@@H](CNC(=O)c1nc(Br)ccc1Br)c1nc2ccccc2s1 ZINC001445944110 1066638943 /nfs/dbraw/zinc/63/89/43/1066638943.db2.gz UQNZDZICYNGCLQ-VIFPVBQESA-N 0 0 455.175 4.750 20 0 JJADRN CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc(I)cc3Cl)c2O1 ZINC001456603066 1066639319 /nfs/dbraw/zinc/63/93/19/1066639319.db2.gz IXRHTFAVNIPSMD-OAHLLOKOSA-N 0 0 457.695 4.791 20 0 JJADRN Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC001361281437 1066639298 /nfs/dbraw/zinc/63/92/98/1066639298.db2.gz FCIPNFDGYPLKCK-GOSISDBHSA-N 0 0 463.479 4.718 20 0 JJADRN Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H](C(F)F)C2)cn1 ZINC001361281587 1066639360 /nfs/dbraw/zinc/63/93/60/1066639360.db2.gz IGSDAFKJKQBVQW-PMACEKPBSA-N 0 0 490.599 4.626 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C(=O)N1CCOCC1 ZINC001361282108 1066640126 /nfs/dbraw/zinc/64/01/26/1066640126.db2.gz INYKRRKWFGUFIY-GOSISDBHSA-N 0 0 453.391 4.512 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001445955391 1066640407 /nfs/dbraw/zinc/64/04/07/1066640407.db2.gz XGEGQTUIQBYBGM-QGZVFWFLSA-N 0 0 455.368 4.509 20 0 JJADRN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 ZINC001545980069 1066640419 /nfs/dbraw/zinc/64/04/19/1066640419.db2.gz NTACAXGQZAHLIQ-JOCHJYFZSA-N 0 0 476.625 4.757 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC001456605965 1066640806 /nfs/dbraw/zinc/64/08/06/1066640806.db2.gz LOFQRUTZMJJAQY-IRXDYDNUSA-N 0 0 456.391 4.658 20 0 JJADRN Cc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)c(F)c1 ZINC001361284163 1066642317 /nfs/dbraw/zinc/64/23/17/1066642317.db2.gz ANGHYEIQDRHBRF-SIKLNZKXSA-N 0 0 487.620 4.565 20 0 JJADRN COc1ccc(C[C@@H](NC(=O)c2ccnn2CCc2ccccc2)c2ccccc2)cc1OC ZINC001361283980 1066642410 /nfs/dbraw/zinc/64/24/10/1066642410.db2.gz IGEAOYUGGUMVQP-XMMPIXPASA-N 0 0 455.558 4.857 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC001361284375 1066642436 /nfs/dbraw/zinc/64/24/36/1066642436.db2.gz DVDCTEVVROYTLQ-LJQANCHMSA-N 0 0 482.032 4.522 20 0 JJADRN CC[C@@H](CNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)Cc1cccc(Br)c1 ZINC001456610154 1066642432 /nfs/dbraw/zinc/64/24/32/1066642432.db2.gz WJZNGTCWLGMXEK-XCLFUZPHSA-N 0 0 451.311 4.605 20 0 JJADRN Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C)cc3F)CC2)s1 ZINC001361284936 1066642804 /nfs/dbraw/zinc/64/28/04/1066642804.db2.gz MPDNEUFGKSPGIO-UHFFFAOYSA-N 0 0 469.630 4.695 20 0 JJADRN COc1ccc(C[C@H](NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)c2ccccc2)cc1OC ZINC001361284735 1066642866 /nfs/dbraw/zinc/64/28/66/1066642866.db2.gz YWQSOSAQXVLILE-DXIQSLLYSA-N 0 0 451.485 4.994 20 0 JJADRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2oc3ccccc3c2CSCc2ccccc2)C1 ZINC001456611800 1066642989 /nfs/dbraw/zinc/64/29/89/1066642989.db2.gz TXSSKVIXBIKAGT-OALUTQOASA-N 0 0 457.617 4.952 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cncn3)C2)c(OCC(F)(F)F)c1 ZINC001361284439 1066643028 /nfs/dbraw/zinc/64/30/28/1066643028.db2.gz GRLSHMQZDQZTMB-LJQANCHMSA-N 0 0 491.562 4.598 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccccc2N2CCC(CO)CC2)CCCCC1 ZINC001445997315 1066643195 /nfs/dbraw/zinc/64/31/95/1066643195.db2.gz GJZGMBLIHYFISS-UHFFFAOYSA-N 0 0 459.631 4.699 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCc2nccs2)c(O[C@@H]2CCOC2)c1 ZINC001361285090 1066643763 /nfs/dbraw/zinc/64/37/63/1066643763.db2.gz PTCZOKUHAYQQHY-HXUWFJFHSA-N 0 0 469.655 4.527 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(F)c1 ZINC001361285269 1066643782 /nfs/dbraw/zinc/64/37/82/1066643782.db2.gz UWSIOJJQCRUKBA-SFHVURJKSA-N 0 0 459.610 4.808 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(F)c1 ZINC001361285268 1066643808 /nfs/dbraw/zinc/64/38/08/1066643808.db2.gz UWSIOJJQCRUKBA-GOSISDBHSA-N 0 0 459.610 4.808 20 0 JJADRN O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001446003193 1066644028 /nfs/dbraw/zinc/64/40/28/1066644028.db2.gz RKNXVQJAAVGXQL-QHCPKHFHSA-N 0 0 457.412 4.819 20 0 JJADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC001361285932 1066644206 /nfs/dbraw/zinc/64/42/06/1066644206.db2.gz IREWCFWXDOMRBQ-UHFFFAOYSA-N 0 0 455.647 4.789 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC001361285569 1066644359 /nfs/dbraw/zinc/64/43/59/1066644359.db2.gz CJNSCVWVKUGEOV-UHFFFAOYSA-N 0 0 458.532 4.574 20 0 JJADRN Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)c3ccccc3C)CC2)s1 ZINC001361285508 1066644423 /nfs/dbraw/zinc/64/44/23/1066644423.db2.gz AVVAWAMTYVQFNP-UHFFFAOYSA-N 0 0 451.640 4.602 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)Nc2ccc(I)c(Cl)c2)[C@H](C)Nc2ccnn21 ZINC001456615158 1066644381 /nfs/dbraw/zinc/64/43/81/1066644381.db2.gz ANBVUSLKLZOZLU-DMDPSCGWSA-N 0 0 458.731 4.551 20 0 JJADRN C[C@@H]1CN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001456615506 1066644848 /nfs/dbraw/zinc/64/48/48/1066644848.db2.gz DDOYWTUEVAATCS-WIYYLYMNSA-N 0 0 451.567 4.562 20 0 JJADRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC001446011618 1066645115 /nfs/dbraw/zinc/64/51/15/1066645115.db2.gz XZVUXIWAENNJJK-RLSLOFABSA-N 0 0 454.636 4.947 20 0 JJADRN CNc1cc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc(Cl)n1 ZINC001456617317 1066645692 /nfs/dbraw/zinc/64/56/92/1066645692.db2.gz HAORKMUOAZSUEQ-MRXNPFEDSA-N 0 0 451.011 4.666 20 0 JJADRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001456617626 1066645735 /nfs/dbraw/zinc/64/57/35/1066645735.db2.gz RYCXDZFCGCCSAW-OAHLLOKOSA-N 0 0 450.398 4.856 20 0 JJADRN CC[C@H](C(=O)Nc1ccc(I)c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001456616925 1066645772 /nfs/dbraw/zinc/64/57/72/1066645772.db2.gz IXLDIKSUBARLCK-CYBMUJFWSA-N 0 0 452.720 4.529 20 0 JJADRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001361287218 1066645801 /nfs/dbraw/zinc/64/58/01/1066645801.db2.gz FWBQCPZSFMTWPW-MUUNZHRXSA-N 0 0 459.365 4.646 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC001361287020 1066645816 /nfs/dbraw/zinc/64/58/16/1066645816.db2.gz YNZPAQANODPVMV-OALUTQOASA-N 0 0 458.521 4.758 20 0 JJADRN CC[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC ZINC001361288477 1066646277 /nfs/dbraw/zinc/64/62/77/1066646277.db2.gz GTCSRLAUAKAFEJ-PGRDOPGGSA-N 0 0 450.608 4.608 20 0 JJADRN CN(Cc1ccc(O)cc1)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001446019746 1066646357 /nfs/dbraw/zinc/64/63/57/1066646357.db2.gz BWOWBQLHIGHYIN-UHFFFAOYSA-N 0 0 458.436 4.701 20 0 JJADRN C[C@H](CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)Cc1ccc(Cl)cc1 ZINC001361288256 1066646448 /nfs/dbraw/zinc/64/64/48/1066646448.db2.gz DUHFSHVBXJCIDP-KXBFYZLASA-N 0 0 452.904 4.845 20 0 JJADRN O=C(c1ccc(N2CCCCCC2)cc1)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001456620073 1066647169 /nfs/dbraw/zinc/64/71/69/1066647169.db2.gz WGWZHGIZJHIUCM-XMMPIXPASA-N 0 0 457.412 4.953 20 0 JJADRN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001446028107 1066647239 /nfs/dbraw/zinc/64/72/39/1066647239.db2.gz UJMIDDRCEMYUSB-MGYADMTCSA-N 0 0 456.608 4.700 20 0 JJADRN O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001446023938 1066647298 /nfs/dbraw/zinc/64/72/98/1066647298.db2.gz QPEYRRJWCQPVQG-JOPBRCQMSA-N 0 0 452.620 4.959 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492598618 1066647908 /nfs/dbraw/zinc/64/79/08/1066647908.db2.gz MZJPZXPTRMJGHX-OAQYLSRUSA-N 0 0 494.640 4.809 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCCc1ccc3c(c1)CCCC3)CCO2 ZINC001456623615 1066648438 /nfs/dbraw/zinc/64/84/38/1066648438.db2.gz AGHQIUDEISUEOS-UHFFFAOYSA-N 0 0 456.627 4.517 20 0 JJADRN Cc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)ccc1C(=O)N(C)C ZINC001456622399 1066648506 /nfs/dbraw/zinc/64/85/06/1066648506.db2.gz JLIDLXJNTOPNGA-UHFFFAOYSA-N 0 0 458.381 4.764 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1 ZINC001492598761 1066648591 /nfs/dbraw/zinc/64/85/91/1066648591.db2.gz PFUTUEFMCITJLD-HXUWFJFHSA-N 0 0 453.974 4.552 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(CC[C@H](O)c4ccccc4)c3)CC(=O)N2C)cc1 ZINC001446034268 1066648621 /nfs/dbraw/zinc/64/86/21/1066648621.db2.gz JGWNVVMEOSQGAG-CMTIAEDTSA-N 0 0 458.558 4.520 20 0 JJADRN Cc1ccc(NC(=O)c2ccccc2SCc2ccco2)c(C)c1S(=O)(=O)NC1CC1 ZINC001456624061 1066648945 /nfs/dbraw/zinc/64/89/45/1066648945.db2.gz RTFBJHBXSIAOPS-UHFFFAOYSA-N 0 0 456.589 4.882 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3C)ccc2c1 ZINC001456623937 1066648948 /nfs/dbraw/zinc/64/89/48/1066648948.db2.gz RITHYTZZFXZKSP-MLPAPPSSSA-N 0 0 450.560 4.558 20 0 JJADRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001456623976 1066648986 /nfs/dbraw/zinc/64/89/86/1066648986.db2.gz KKMIJIROYQQAAG-OAHLLOKOSA-N 0 0 452.869 4.729 20 0 JJADRN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)c3cnn(C(C)C)c3n2)cc1 ZINC001456624175 1066648989 /nfs/dbraw/zinc/64/89/89/1066648989.db2.gz DGTUVRBPFBVVGX-WZONZLPQSA-N 0 0 477.609 4.973 20 0 JJADRN CCOc1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c(C(N)=O)c1 ZINC001456626392 1066649589 /nfs/dbraw/zinc/64/95/89/1066649589.db2.gz ZUDOVRKHGNWKBC-UHFFFAOYSA-N 0 0 450.882 4.536 20 0 JJADRN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001492599382 1066649943 /nfs/dbraw/zinc/64/99/43/1066649943.db2.gz WVXSYSUAPKNWPM-FQEVSTJZSA-N 0 0 481.666 4.667 20 0 JJADRN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1OC(F)(F)F ZINC001446040300 1066650626 /nfs/dbraw/zinc/65/06/26/1066650626.db2.gz GGKQELYNMAMVCJ-IBGZPJMESA-N 0 0 452.473 4.818 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC001446043301 1066650657 /nfs/dbraw/zinc/65/06/57/1066650657.db2.gz CQKOPJLAYQBWQE-QMMMGPOBSA-N 0 0 456.127 4.879 20 0 JJADRN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492599418 1066650589 /nfs/dbraw/zinc/65/05/89/1066650589.db2.gz ZFJWUGYVTBFLBC-QYZOEREBSA-N 0 0 479.547 4.737 20 0 JJADRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)n2)cc1 ZINC001446047671 1066651316 /nfs/dbraw/zinc/65/13/16/1066651316.db2.gz NLPUNHIGKVVTOI-KRWDZBQOSA-N 0 0 455.518 4.746 20 0 JJADRN C[C@@H](CC(=O)NCCc1ccccc1OC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001446050289 1066652155 /nfs/dbraw/zinc/65/21/55/1066652155.db2.gz LFHZZQJADRXSDO-FUHWJXTLSA-N 0 0 458.521 4.917 20 0 JJADRN CC[C@](C)(NC(=O)c1cccn1-c1cccc(I)c1)c1nccs1 ZINC001456632212 1066652209 /nfs/dbraw/zinc/65/22/09/1066652209.db2.gz YNSKFOFBNJTPJD-SFHVURJKSA-N 0 0 451.333 4.594 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCSC1(C)C ZINC001492600056 1066652489 /nfs/dbraw/zinc/65/24/89/1066652489.db2.gz HLLISEFQCZBSIA-LVXARBLLSA-N 0 0 488.698 4.674 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccnc(O[C@@H](C)CC(C)C)c3)C2)c1 ZINC001456634616 1066652733 /nfs/dbraw/zinc/65/27/33/1066652733.db2.gz ADMHFJHNGDQXIZ-JTHBVZDNSA-N 0 0 451.611 4.680 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(C2CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492600374 1066653247 /nfs/dbraw/zinc/65/32/47/1066653247.db2.gz LVQMQNOPRVPAEZ-HXUWFJFHSA-N 0 0 469.630 4.626 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC001446060187 1066653382 /nfs/dbraw/zinc/65/33/82/1066653382.db2.gz DOGKEZARUUXCJZ-SJORKVTESA-N 0 0 457.596 4.766 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC001446060186 1066653402 /nfs/dbraw/zinc/65/34/02/1066653402.db2.gz DOGKEZARUUXCJZ-IRXDYDNUSA-N 0 0 457.596 4.766 20 0 JJADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001456636995 1066653503 /nfs/dbraw/zinc/65/35/03/1066653503.db2.gz AMAJEZJKEPRKGL-UHFFFAOYSA-N 0 0 450.343 4.989 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001492600587 1066653708 /nfs/dbraw/zinc/65/37/08/1066653708.db2.gz OUNAFAAFRXTXCC-UHFFFAOYSA-N 0 0 456.472 4.559 20 0 JJADRN CCOc1cccc(CNC(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1OC(F)F ZINC001446061118 1066653878 /nfs/dbraw/zinc/65/38/78/1066653878.db2.gz LTPHANSSJKIQEH-YUQCYMQKSA-N 0 0 454.514 4.506 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001446061860 1066653986 /nfs/dbraw/zinc/65/39/86/1066653986.db2.gz GGUWCOVFKIDQPF-MSOLQXFVSA-N 0 0 458.578 4.729 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@@H](C)C2)CCO1 ZINC001546083990 1066654057 /nfs/dbraw/zinc/65/40/57/1066654057.db2.gz WFDHJAFQHZGBNR-GSHUGGBRSA-N 0 0 463.420 4.528 20 0 JJADRN CO[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3cccc(C)c3)cc2)N(C(=O)OCc2ccccc2)C1 ZINC001456638355 1066654151 /nfs/dbraw/zinc/65/41/51/1066654151.db2.gz IUADYFUACWYKCA-FTJBHMTQSA-N 0 0 458.558 4.704 20 0 JJADRN Cc1ccccc1OCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 ZINC001492600718 1066654515 /nfs/dbraw/zinc/65/45/15/1066654515.db2.gz QUEMKHBWCITCJS-IRLDBZIGSA-N 0 0 499.656 4.600 20 0 JJADRN CS[C@H](CO)[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC001446070705 1066654587 /nfs/dbraw/zinc/65/45/87/1066654587.db2.gz CQHZGMWQWPXWPE-UZUQRXQVSA-N 0 0 450.560 4.573 20 0 JJADRN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(S(C)(=O)=O)ccc2F)c1 ZINC001456640245 1066655388 /nfs/dbraw/zinc/65/53/88/1066655388.db2.gz CLSUFDGZDBFFPA-UHFFFAOYSA-N 0 0 453.495 4.544 20 0 JJADRN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001456641087 1066655395 /nfs/dbraw/zinc/65/53/95/1066655395.db2.gz LVHVVBYLNOLNST-UHFFFAOYSA-N 0 0 452.436 4.805 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCSC2)CCO1 ZINC001546084054 1066655519 /nfs/dbraw/zinc/65/55/19/1066655519.db2.gz XEWBAAVORYAAPU-PNLZDCPESA-N 0 0 451.036 4.830 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC001446078590 1066656072 /nfs/dbraw/zinc/65/60/72/1066656072.db2.gz VRDVWYIUHNZDCC-AEFFLSMTSA-N 0 0 453.421 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](CCCO)c2ccccc2)(c2ccccc2)CC1 ZINC001446077764 1066656081 /nfs/dbraw/zinc/65/60/81/1066656081.db2.gz LXVALAQPKFNKEZ-HSZRJFAPSA-N 0 0 452.595 4.585 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccccn2)n1Cc1ccsc1Br ZINC001492601757 1066656290 /nfs/dbraw/zinc/65/62/90/1066656290.db2.gz IYMRZEPYKHAYCE-UHFFFAOYSA-N 0 0 498.450 4.960 20 0 JJADRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCCCc1nc2ccccc2s1 ZINC001456645578 1066656702 /nfs/dbraw/zinc/65/67/02/1066656702.db2.gz DKMYMHJOMLMUFP-FQEVSTJZSA-N 0 0 451.592 4.956 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(OCCC(C)C)c3)C2)cc1 ZINC001456645668 1066656716 /nfs/dbraw/zinc/65/67/16/1066656716.db2.gz DSDQRLIYLCEQQA-NRFANRHFSA-N 0 0 458.624 4.768 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001492601961 1066657111 /nfs/dbraw/zinc/65/71/11/1066657111.db2.gz LUIMDROTEYAIRD-ZEQKJWHPSA-N 0 0 463.626 4.539 20 0 JJADRN CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001456647432 1066657377 /nfs/dbraw/zinc/65/73/77/1066657377.db2.gz JFZUZVDUFQUNBU-DEOSSOPVSA-N 0 0 457.640 4.579 20 0 JJADRN O=C(c1cc(COc2ccccc2F)on1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085781 1066657496 /nfs/dbraw/zinc/65/74/96/1066657496.db2.gz JLLBFBPGJLYNGX-JOCHJYFZSA-N 0 0 452.507 4.830 20 0 JJADRN C[C@@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC001456649522 1066658123 /nfs/dbraw/zinc/65/81/23/1066658123.db2.gz VXDLPZFAXCWVPS-CYBMUJFWSA-N 0 0 458.805 4.575 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)CSc3cc(Cl)ccc3Cl)C2)c1 ZINC001446087261 1066658235 /nfs/dbraw/zinc/65/82/35/1066658235.db2.gz PQKPVAXQBUOOGS-CQSZACIVSA-N 0 0 455.407 4.745 20 0 JJADRN CCn1ncc(Br)c1C(=O)Nc1cc(-c2ccco2)nn1-c1cc(C)cc(C)c1 ZINC001456647901 1066658148 /nfs/dbraw/zinc/65/81/48/1066658148.db2.gz RGJOOFNFWKRKNS-UHFFFAOYSA-N 0 0 454.328 4.980 20 0 JJADRN Cc1ccccc1OCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(F)(F)F ZINC001492602496 1066658296 /nfs/dbraw/zinc/65/82/96/1066658296.db2.gz SGYBPRBSDWIGQM-UHFFFAOYSA-N 0 0 486.542 4.929 20 0 JJADRN Cc1ccccc1OCCn1c(-c2ccc[nH]2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001492602814 1066658927 /nfs/dbraw/zinc/65/89/27/1066658927.db2.gz USCITDGZVLPWJO-UHFFFAOYSA-N 0 0 494.640 4.744 20 0 JJADRN Cc1ccccc1OCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)(F)F ZINC001492602730 1066659038 /nfs/dbraw/zinc/65/90/38/1066659038.db2.gz SSZRJNRBFBOBHW-UHFFFAOYSA-N 0 0 472.309 4.812 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)C[C@@H]2C1 ZINC001456653058 1066659429 /nfs/dbraw/zinc/65/94/29/1066659429.db2.gz BJRASGQIRQVPLS-MSOLQXFVSA-N 0 0 468.516 4.623 20 0 JJADRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001446095990 1066659362 /nfs/dbraw/zinc/65/93/62/1066659362.db2.gz KQFHVCRFIGZNKC-ZDLGFXPLSA-N 0 0 456.453 4.761 20 0 JJADRN Cn1ccnc1-c1csc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)n1 ZINC001446096286 1066659546 /nfs/dbraw/zinc/65/95/46/1066659546.db2.gz FNMMRTAKGKRJGS-OAHLLOKOSA-N 0 0 453.568 4.801 20 0 JJADRN Cc1ccccc1OCCn1c([C@H]2CCCOC2)nnc1N(CCC(F)(F)F)CC1CC1 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ZINC001492605653 1066663280 /nfs/dbraw/zinc/66/32/80/1066663280.db2.gz IZLLXNAYJGGKTO-IBGZPJMESA-N 0 0 470.662 4.748 20 0 JJADRN CCOC(=O)CN(C(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)c1ccc(F)cn1 ZINC001456669698 1066663708 /nfs/dbraw/zinc/66/37/08/1066663708.db2.gz JUQIGXNSCBOZIZ-UHFFFAOYSA-N 0 0 458.493 4.592 20 0 JJADRN Cc1cccnc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001492606430 1066663801 /nfs/dbraw/zinc/66/38/01/1066663801.db2.gz GINJSBJIUQCEBJ-UHFFFAOYSA-N 0 0 452.484 4.671 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492606453 1066663853 /nfs/dbraw/zinc/66/38/53/1066663853.db2.gz HAWLPLOODCXJKD-OAQYLSRUSA-N 0 0 497.043 4.768 20 0 JJADRN Cc1cccnc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC001492606673 1066664578 /nfs/dbraw/zinc/66/45/78/1066664578.db2.gz OPOUQBNGMLJPBP-UHFFFAOYSA-N 0 0 452.484 4.671 20 0 JJADRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3nccs3)cc2F)C1 ZINC001456673725 1066664552 /nfs/dbraw/zinc/66/45/52/1066664552.db2.gz 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20 0 JJADRN Cc1ccnc(OC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001492607383 1066666435 /nfs/dbraw/zinc/66/64/35/1066666435.db2.gz ODYATXZFZBUUDQ-OAQYLSRUSA-N 0 0 498.672 4.800 20 0 JJADRN Cc1cccnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492607775 1066667320 /nfs/dbraw/zinc/66/73/20/1066667320.db2.gz ZALKXRLZJMITFS-QFIPXVFZSA-N 0 0 498.672 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)CCc3cccnc3Cl)CC2)CC1 ZINC001456688135 1066667363 /nfs/dbraw/zinc/66/73/63/1066667363.db2.gz BJHVMNPDGBASQN-SFHVURJKSA-N 0 0 450.023 4.943 20 0 JJADRN COc1cc(CCNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)ccc1C ZINC001456687982 1066667488 /nfs/dbraw/zinc/66/74/88/1066667488.db2.gz SNWYVDQCUQBVST-QFIPXVFZSA-N 0 0 452.595 4.921 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)CC1 ZINC001456691909 1066668023 /nfs/dbraw/zinc/66/80/23/1066668023.db2.gz VWZKWVOIZRVZBS-HSZRJFAPSA-N 0 0 458.002 4.728 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)NCC1(C)Cc2ccccc2C1)NC(=O)OC(C)(C)C ZINC001446166473 1066668214 /nfs/dbraw/zinc/66/82/14/1066668214.db2.gz UNMKJFKBTAZVBM-QFIPXVFZSA-N 0 0 452.595 4.963 20 0 JJADRN CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001545981928 1066668266 /nfs/dbraw/zinc/66/82/66/1066668266.db2.gz DGVOUNRCKYKQRV-UXHICEINSA-N 0 0 485.629 4.818 20 0 JJADRN Cc1cc(Br)c(CC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)s1 ZINC001456696009 1066668655 /nfs/dbraw/zinc/66/86/55/1066668655.db2.gz WKGCKTQRHFQLRC-LBPRGKRZSA-N 0 0 455.805 4.624 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)s1 ZINC001456699034 1066669560 /nfs/dbraw/zinc/66/95/60/1066669560.db2.gz BDKVTAWIONKTFK-LPHOPBHVSA-N 0 0 456.612 4.510 20 0 JJADRN COc1ccc([C@@H](CCO)NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1 ZINC001446184723 1066669705 /nfs/dbraw/zinc/66/97/05/1066669705.db2.gz MSYQVINJERWGPB-GOSISDBHSA-N 0 0 450.482 4.999 20 0 JJADRN COc1ccc([C@H](CCO)NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)cc1 ZINC001446184728 1066669755 /nfs/dbraw/zinc/66/97/55/1066669755.db2.gz MSYQVINJERWGPB-SFHVURJKSA-N 0 0 450.482 4.999 20 0 JJADRN CC1=CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001492608838 1066669844 /nfs/dbraw/zinc/66/98/44/1066669844.db2.gz IOXYCWVVSKTLNU-IBGZPJMESA-N 0 0 451.546 4.944 20 0 JJADRN O=C(/C=C/c1ccc(I)o1)OCc1cc(Br)ccc1F ZINC001456700888 1066670100 /nfs/dbraw/zinc/67/01/00/1066670100.db2.gz NZWDLVJQYDGDPE-ZZXKWVIFSA-N 0 0 451.029 4.542 20 0 JJADRN CC1=CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(C(C)(C)C)n2)C1 ZINC001492609012 1066670385 /nfs/dbraw/zinc/67/03/85/1066670385.db2.gz LBFGDFGJYHIGID-UHFFFAOYSA-N 0 0 485.679 4.502 20 0 JJADRN CN1C(=O)COc2ccc(NC(=O)CC[C@@H](CC3CCCCC3)NC(=O)OC(C)(C)C)cc21 ZINC001456703603 1066670793 /nfs/dbraw/zinc/67/07/93/1066670793.db2.gz OEIRQQZWYREMMB-SFHVURJKSA-N 0 0 459.587 4.624 20 0 JJADRN Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)ccc1Cl ZINC001456705810 1066670805 /nfs/dbraw/zinc/67/08/05/1066670805.db2.gz NSOPUUYRPGTXJG-BTYIYWSLSA-N 0 0 452.776 4.688 20 0 JJADRN CC1=CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cccc(Br)n2)C1 ZINC001492609487 1066671139 /nfs/dbraw/zinc/67/11/39/1066671139.db2.gz QWDWLYDZFBSTRO-MRXNPFEDSA-N 0 0 472.362 4.919 20 0 JJADRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC001456707114 1066671479 /nfs/dbraw/zinc/67/14/79/1066671479.db2.gz NRQIOYJQIJVQQM-AWEZNQCLSA-N 0 0 458.049 4.531 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001446190017 1066671759 /nfs/dbraw/zinc/67/17/59/1066671759.db2.gz ISZATCLLZSLRBQ-GHTZIAJQSA-N 0 0 458.331 4.727 20 0 JJADRN COc1ccc(CCCC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c(OC)c1 ZINC001446189555 1066671803 /nfs/dbraw/zinc/67/18/03/1066671803.db2.gz YECYOGSPGKDCOB-XMMPIXPASA-N 0 0 459.546 4.709 20 0 JJADRN Cc1cc(-c2nnc(N3CCC=C(C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c2ccccc2n1 ZINC001492609799 1066671937 /nfs/dbraw/zinc/67/19/37/1066671937.db2.gz XBXIRRPQOZKSFK-LJQANCHMSA-N 0 0 462.598 4.871 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001446190036 1066671842 /nfs/dbraw/zinc/67/18/42/1066671842.db2.gz ISZATCLLZSLRBQ-RXVVDRJESA-N 0 0 458.331 4.727 20 0 JJADRN CC1=CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCOCC(F)(F)C(F)F)C1 ZINC001492609768 1066671992 /nfs/dbraw/zinc/67/19/92/1066671992.db2.gz WEEZKRNWQRHDHD-OAHLLOKOSA-N 0 0 460.447 4.631 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)cn3C)nnc2N2CCC=C(C)C2)n1 ZINC001492609765 1066672000 /nfs/dbraw/zinc/67/20/00/1066672000.db2.gz WCAMLUYULRDSSR-UHFFFAOYSA-N 0 0 475.460 4.990 20 0 JJADRN CC1CCN(c2ccc(C(=O)N3CCc4c(cccc4NC(=O)OC(C)(C)C)C3)cn2)CC1 ZINC001456709051 1066672333 /nfs/dbraw/zinc/67/23/33/1066672333.db2.gz CFJVZZPDPFSSBR-UHFFFAOYSA-N 0 0 450.583 4.863 20 0 JJADRN C[C@H](C(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1)N1CSCCSC1 ZINC001446191633 1066672565 /nfs/dbraw/zinc/67/25/65/1066672565.db2.gz STVFSELYOMNAOE-QGZVFWFLSA-N 0 0 452.690 4.869 20 0 JJADRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 ZINC001456716352 1066672916 /nfs/dbraw/zinc/67/29/16/1066672916.db2.gz IAKMUANEKXETJJ-XMMPIXPASA-N 0 0 453.579 4.579 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2ccccc2F)C1 ZINC001492611432 1066673383 /nfs/dbraw/zinc/67/33/83/1066673383.db2.gz AZXPDXZXOGZLIP-JOCHJYFZSA-N 0 0 485.604 4.515 20 0 JJADRN O=C(NCCc1cccc(OCc2ccccc2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001446193508 1066673422 /nfs/dbraw/zinc/67/34/22/1066673422.db2.gz YAORFDXIIUYMRZ-DEOSSOPVSA-N 0 0 457.574 4.868 20 0 JJADRN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cc2)C1 ZINC001492611082 1066673448 /nfs/dbraw/zinc/67/34/48/1066673448.db2.gz RGBFTLQWACRFEC-FQEVSTJZSA-N 0 0 455.578 4.736 20 0 JJADRN C[C@H](NC(=O)CCC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001456721290 1066673771 /nfs/dbraw/zinc/67/37/71/1066673771.db2.gz LPSVXBZMUAYEPK-SFHVURJKSA-N 0 0 451.567 4.576 20 0 JJADRN C[C@@H]1[C@H](CCC(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)[C@H](C)Nc2ccnn21 ZINC001456718150 1066673820 /nfs/dbraw/zinc/67/38/20/1066673820.db2.gz GUHLKKKZSDOKPM-YQVWRLOYSA-N 0 0 453.587 4.586 20 0 JJADRN Cc1ccsc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC=C(C)C1 ZINC001492611586 1066674271 /nfs/dbraw/zinc/67/42/71/1066674271.db2.gz GHVVOHRVLACSBR-UHFFFAOYSA-N 0 0 457.644 4.967 20 0 JJADRN C[C@H]1CCCN(c2cc(C(=O)N3CCc4c(cccc4NC(=O)OC(C)(C)C)C3)ccn2)C1 ZINC001456724902 1066674456 /nfs/dbraw/zinc/67/44/56/1066674456.db2.gz QEOJCLFZPABDDV-SFHVURJKSA-N 0 0 450.583 4.863 20 0 JJADRN CCc1noc([C@@H]2CC[C@H](NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)n1 ZINC001456726413 1066674496 /nfs/dbraw/zinc/67/44/96/1066674496.db2.gz NCVXEQLGEHBYTR-HBFSDRIKSA-N 0 0 456.587 4.677 20 0 JJADRN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001446199604 1066674793 /nfs/dbraw/zinc/67/47/93/1066674793.db2.gz GJGROSRHTFPRBK-GOSISDBHSA-N 0 0 459.493 4.750 20 0 JJADRN Cc1ccc(OCc2nnc(N3CCC=C(C)C3)n2Cc2cccnc2OCC(F)(F)F)cc1 ZINC001492612994 1066674842 /nfs/dbraw/zinc/67/48/42/1066674842.db2.gz BYIVVVPLPGEJIN-UHFFFAOYSA-N 0 0 473.499 4.706 20 0 JJADRN CC1=CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC001492612886 1066674927 /nfs/dbraw/zinc/67/49/27/1066674927.db2.gz YISKCIHIOZVWEW-UHFFFAOYSA-N 0 0 468.886 4.618 20 0 JJADRN CN(CCc1ccccc1C(=O)Nc1ccc(N2CCSCC2)cc1)C(=O)OC(C)(C)C ZINC001456728611 1066675234 /nfs/dbraw/zinc/67/52/34/1066675234.db2.gz OLQNIGMHVAYLPZ-UHFFFAOYSA-N 0 0 455.624 4.902 20 0 JJADRN CC1=CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001492613402 1066675654 /nfs/dbraw/zinc/67/56/54/1066675654.db2.gz RYGNBTBLJXGYAK-UHFFFAOYSA-N 0 0 453.631 4.913 20 0 JJADRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)cc1 ZINC001456731214 1066675854 /nfs/dbraw/zinc/67/58/54/1066675854.db2.gz ZBZSHCBLPZZENA-KMDXXIMOSA-N 0 0 456.627 4.723 20 0 JJADRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446236812 1066676550 /nfs/dbraw/zinc/67/65/50/1066676550.db2.gz GLOMAZOVGXLKAP-GOEBONIOSA-N 0 0 452.477 4.852 20 0 JJADRN Cc1ccc(SCc2nnc(N3CCC=C(C)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001492613670 1066677067 /nfs/dbraw/zinc/67/70/67/1066677067.db2.gz DTOURPXINFDYJX-UHFFFAOYSA-N 0 0 469.655 4.902 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccccc3F)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001492613779 1066677072 /nfs/dbraw/zinc/67/70/72/1066677072.db2.gz IAOOKCAXIJKENC-UHFFFAOYSA-N 0 0 483.588 4.720 20 0 JJADRN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001492613845 1066677081 /nfs/dbraw/zinc/67/70/81/1066677081.db2.gz KNTHZYRATDHVMY-NHCUHLMSSA-N 0 0 457.619 4.705 20 0 JJADRN O=C(CNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1cccs1 ZINC001446238160 1066677298 /nfs/dbraw/zinc/67/72/98/1066677298.db2.gz AAUDPIFUMVYSBN-UHFFFAOYSA-N 0 0 456.449 4.627 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001456734506 1066677413 /nfs/dbraw/zinc/67/74/13/1066677413.db2.gz VUGYQOZADIBKRW-UHFFFAOYSA-N 0 0 454.857 4.537 20 0 JJADRN COc1ccc(-c2nc(COC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)cs2)cc1 ZINC001456735004 1066677439 /nfs/dbraw/zinc/67/74/39/1066677439.db2.gz LLGYDPHDMGBHPJ-KDURUIRLSA-N 0 0 452.532 4.567 20 0 JJADRN CC1=CCCN(c2nnc(COc3ccccc3F)n2CCCCn2cc(Br)cn2)C1 ZINC001492614095 1066677729 /nfs/dbraw/zinc/67/77/29/1066677729.db2.gz UDZQDLOUQDDDDH-UHFFFAOYSA-N 0 0 489.393 4.592 20 0 JJADRN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC=C(C)C2)s1 ZINC001492614060 1066677761 /nfs/dbraw/zinc/67/77/61/1066677761.db2.gz SDUQUMRXVUJPSV-UHFFFAOYSA-N 0 0 465.410 4.723 20 0 JJADRN COc1ccc(-c2nc(C(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC001446240635 1066678048 /nfs/dbraw/zinc/67/80/48/1066678048.db2.gz BKQQCCVYWAPYGP-UHFFFAOYSA-N 0 0 459.612 4.928 20 0 JJADRN O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC001446242472 1066678088 /nfs/dbraw/zinc/67/80/88/1066678088.db2.gz YZBHBIQUSXRNAH-IRLDBZIGSA-N 0 0 459.512 4.616 20 0 JJADRN CCN(CC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001446241853 1066678133 /nfs/dbraw/zinc/67/81/33/1066678133.db2.gz GBEVDSBNJXSABX-UHFFFAOYSA-N 0 0 452.039 4.658 20 0 JJADRN Cc1ccc(C(=O)NCC(=O)c2cccs2)cc1NC(=O)c1ccc(Br)cc1 ZINC001446241837 1066678215 /nfs/dbraw/zinc/67/82/15/1066678215.db2.gz QIZCSTQPNCJSMU-UHFFFAOYSA-N 0 0 457.349 4.684 20 0 JJADRN Cc1cccc(O[C@@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC=C(C)C2)c1 ZINC001492614211 1066678439 /nfs/dbraw/zinc/67/84/39/1066678439.db2.gz YIPWBZQLYVBNEI-FDFHNCONSA-N 0 0 481.641 4.981 20 0 JJADRN CCc1nc(-c2ccccc2NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC001446244232 1066678886 /nfs/dbraw/zinc/67/88/86/1066678886.db2.gz QNPAAFDAUDSRQQ-UHFFFAOYSA-N 0 0 451.328 4.543 20 0 JJADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC001446246413 1066679648 /nfs/dbraw/zinc/67/96/48/1066679648.db2.gz SDRTZXRDHHTMLU-SZMVWBNQSA-N 0 0 454.514 4.602 20 0 JJADRN C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001456743859 1066679647 /nfs/dbraw/zinc/67/96/47/1066679647.db2.gz GYRONVGLTBRGOR-MHECFPHRSA-N 0 0 451.954 4.547 20 0 JJADRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)C(C)(C)c1ccccc1 ZINC001456743351 1066679677 /nfs/dbraw/zinc/67/96/77/1066679677.db2.gz FEYCWYHFHVQVQX-SKPFHBQLSA-N 0 0 456.652 4.839 20 0 JJADRN CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001456746945 1066680479 /nfs/dbraw/zinc/68/04/79/1066680479.db2.gz LJYXKNQGHDUKIT-QDPGVEIFSA-N 0 0 457.618 4.732 20 0 JJADRN CNC(=O)c1cccc(CCNC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1 ZINC001456749416 1066680529 /nfs/dbraw/zinc/68/05/29/1066680529.db2.gz JEWJIKXRGQKJCX-JOCHJYFZSA-N 0 0 457.357 4.832 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2Br)CC1 ZINC001456747012 1066680553 /nfs/dbraw/zinc/68/05/53/1066680553.db2.gz LQUUWGSSZJHURZ-SFHVURJKSA-N 0 0 453.421 4.926 20 0 JJADRN C[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001446260685 1066681317 /nfs/dbraw/zinc/68/13/17/1066681317.db2.gz SUJKGYGHJHDABT-IXDOHACOSA-N 0 0 458.521 4.730 20 0 JJADRN C[C@@H](NC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001446270742 1066681737 /nfs/dbraw/zinc/68/17/37/1066681737.db2.gz AXWJJGGDVQMQKL-MRXNPFEDSA-N 0 0 450.514 4.798 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)C1 ZINC001456756316 1066681916 /nfs/dbraw/zinc/68/19/16/1066681916.db2.gz VMDYPDBTGYLGJV-XUTUTRJZSA-N 0 0 450.579 4.516 20 0 JJADRN Cc1ccc(OCCCCn2c(N3CC=C(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001492615745 1066682425 /nfs/dbraw/zinc/68/24/25/1066682425.db2.gz XIZVGQSFEFJHSD-SANMLTNESA-N 0 0 454.615 4.643 20 0 JJADRN Cc1ccoc1C(=O)NCCCn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 ZINC001492615685 1066682539 /nfs/dbraw/zinc/68/25/39/1066682539.db2.gz VZLBHNIZHUKSGG-UHFFFAOYSA-N 0 0 484.398 4.586 20 0 JJADRN CC1=CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001492615639 1066682598 /nfs/dbraw/zinc/68/25/98/1066682598.db2.gz UCYQPJMIBOVSET-LJQANCHMSA-N 0 0 477.613 4.652 20 0 JJADRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Oc1cccc(-c3nc(C(C)(C)C)cs3)c1)C2=O ZINC001456763336 1066682614 /nfs/dbraw/zinc/68/26/14/1066682614.db2.gz BYNNNJWYOSJFMZ-OWJWWREXSA-N 0 0 455.580 4.514 20 0 JJADRN C[C@H]1c2c(F)cccc2CCN1C(=O)CCCOc1ccc(I)cc1 ZINC001456763785 1066682664 /nfs/dbraw/zinc/68/26/64/1066682664.db2.gz KBHLLTDWFVTOFB-AWEZNQCLSA-N 0 0 453.295 4.735 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC001456765582 1066683328 /nfs/dbraw/zinc/68/33/28/1066683328.db2.gz QGYIGNAGYMPEOH-SFHVURJKSA-N 0 0 452.551 4.800 20 0 JJADRN CC1=CCN(c2nnc(-c3c[nH]c4ccccc43)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492616482 1066683871 /nfs/dbraw/zinc/68/38/71/1066683871.db2.gz ACTYTEVHCIKXDV-GOSISDBHSA-N 0 0 450.587 4.838 20 0 JJADRN COc1cccc(COC(=O)c2cnn(-c3ccccc3)c2Br)c1OC(F)F ZINC001456767177 1066684015 /nfs/dbraw/zinc/68/40/15/1066684015.db2.gz AFGQJBYKFLCTGR-UHFFFAOYSA-N 0 0 453.239 4.602 20 0 JJADRN CC[C@H](NC(=O)c1ccc(Nc2nccs2)cc1F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001446276070 1066683967 /nfs/dbraw/zinc/68/39/67/1066683967.db2.gz JGUMATIDSPLFFB-SFTDATJTSA-N 0 0 450.543 4.724 20 0 JJADRN CC1=CCN(c2nnc(-c3c[nH]c4ccccc43)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001492616483 1066684521 /nfs/dbraw/zinc/68/45/21/1066684521.db2.gz ACTYTEVHCIKXDV-SFHVURJKSA-N 0 0 450.587 4.838 20 0 JJADRN CC1=CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccccc2F)CC1 ZINC001492617667 1066685181 /nfs/dbraw/zinc/68/51/81/1066685181.db2.gz LONKMNWPGCWVKS-OAQYLSRUSA-N 0 0 469.605 4.931 20 0 JJADRN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccc(Cl)c(F)c1 ZINC001446281706 1066685152 /nfs/dbraw/zinc/68/51/52/1066685152.db2.gz YIRVZXSPVOIVIE-ZDUSSCGKSA-N 0 0 452.960 4.510 20 0 JJADRN CCC(CC)(CO)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001446279464 1066685202 /nfs/dbraw/zinc/68/52/02/1066685202.db2.gz ZKXHPESTZYZXGI-UHFFFAOYSA-N 0 0 456.384 4.830 20 0 JJADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)c(F)c1 ZINC001446282053 1066685317 /nfs/dbraw/zinc/68/53/17/1066685317.db2.gz ZMIZUMFLGAIBRI-ZDUSSCGKSA-N 0 0 450.894 4.910 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001446292422 1066686024 /nfs/dbraw/zinc/68/60/24/1066686024.db2.gz PWEMBJKCQPRFLZ-IVQNNMQUSA-N 0 0 469.395 4.695 20 0 JJADRN C[C@]1(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001446291832 1066686066 /nfs/dbraw/zinc/68/60/66/1066686066.db2.gz IXDYLHCTQJQPPM-OAQYLSRUSA-N 0 0 454.304 4.504 20 0 JJADRN Cc1cc(C)cc(OCc2nnc(N3CC=C(C)CC3)n2CC2CCN(CC(F)(F)F)CC2)c1 ZINC001492619325 1066686660 /nfs/dbraw/zinc/68/66/60/1066686660.db2.gz QPNYFTYEXHJEIQ-UHFFFAOYSA-N 0 0 477.575 4.905 20 0 JJADRN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001446292432 1066686777 /nfs/dbraw/zinc/68/67/77/1066686777.db2.gz PWEMBJKCQPRFLZ-LVQKAXJZSA-N 0 0 469.395 4.695 20 0 JJADRN Cc1cc([C@](C)(O)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC=C(C)CC2)c(C)o1 ZINC001492619638 1066687407 /nfs/dbraw/zinc/68/74/07/1066687407.db2.gz DGQLFRJKHWXURD-AREMUKBSSA-N 0 0 450.583 4.748 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC=C(c4ccccc4Cl)CC3)n[nH]2)C1 ZINC001446298039 1066687618 /nfs/dbraw/zinc/68/76/18/1066687618.db2.gz WFRGOTSMTMZFHZ-KRWDZBQOSA-N 0 0 456.974 4.717 20 0 JJADRN CC1=CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001492619786 1066688177 /nfs/dbraw/zinc/68/81/77/1066688177.db2.gz JQYSWCCCXRDXDY-AREMUKBSSA-N 0 0 450.583 4.812 20 0 JJADRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001446298817 1066688372 /nfs/dbraw/zinc/68/83/72/1066688372.db2.gz JUEQCYWCAREGEU-LHSJRXKWSA-N 0 0 457.384 4.673 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C ZINC001545984047 1066688414 /nfs/dbraw/zinc/68/84/14/1066688414.db2.gz CDJHCTQFQCWMQB-SFTDATJTSA-N 0 0 473.593 4.566 20 0 JJADRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1c(F)cc(Br)cc1F ZINC001456779559 1066688457 /nfs/dbraw/zinc/68/84/57/1066688457.db2.gz RNMORSSHOXIJDL-UHFFFAOYSA-N 0 0 459.596 4.603 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1cnc(C(F)(F)F)nc1)C1CC1 ZINC001456779015 1066688614 /nfs/dbraw/zinc/68/86/14/1066688614.db2.gz CSCHQNPEJALPEA-UHFFFAOYSA-N 0 0 450.461 4.638 20 0 JJADRN CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(c2nccs2)CC1)NC(=O)OC(C)(C)C ZINC001545984288 1066688923 /nfs/dbraw/zinc/68/89/23/1066688923.db2.gz HFKAZPTXGNFPES-GOSISDBHSA-N 0 0 460.648 4.689 20 0 JJADRN CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001446303856 1066689021 /nfs/dbraw/zinc/68/90/21/1066689021.db2.gz SSPQYRRXOXYROL-FQEVSTJZSA-N 0 0 457.368 4.604 20 0 JJADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1C ZINC001446310352 1066689607 /nfs/dbraw/zinc/68/96/07/1066689607.db2.gz OVEKVOSCDCKCAO-DNQXCXABSA-N 0 0 450.579 4.539 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3c(C)cccc3C)C2)c1 ZINC001492620420 1066689918 /nfs/dbraw/zinc/68/99/18/1066689918.db2.gz FJABWERWJAQVJQ-JOCHJYFZSA-N 0 0 450.631 4.909 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccccc3OCC(F)(F)F)C2)c1 ZINC001492620460 1066689970 /nfs/dbraw/zinc/68/99/70/1066689970.db2.gz GBHKLCZQGBUCRN-LJQANCHMSA-N 0 0 476.547 4.911 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3CCC(C)(C)O)C2)c1 ZINC001492620542 1066690777 /nfs/dbraw/zinc/69/07/77/1066690777.db2.gz HKASJBSXAFRNDU-ICSRJNTNSA-N 0 0 473.021 4.579 20 0 JJADRN Cc1cccc(C)c1OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1 ZINC001492620621 1066690865 /nfs/dbraw/zinc/69/08/65/1066690865.db2.gz INDOCIIAORSMFA-SZPZYZBQSA-N 0 0 481.641 4.901 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)c(F)c1 ZINC001446331840 1066692038 /nfs/dbraw/zinc/69/20/38/1066692038.db2.gz ZRIQEBTZHGGNPZ-HNNXBMFYSA-N 0 0 452.718 4.841 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3cccc(NC(=O)CC(C)C)c3)C2)c1 ZINC001492621570 1066691967 /nfs/dbraw/zinc/69/19/67/1066691967.db2.gz BMOAIVUHWRVRNE-DEOSSOPVSA-N 0 0 477.657 4.856 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)c1 ZINC001492621415 1066692095 /nfs/dbraw/zinc/69/20/95/1066692095.db2.gz YADOUVQOVIIFPH-IBGZPJMESA-N 0 0 473.666 4.516 20 0 JJADRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC001456798513 1066692830 /nfs/dbraw/zinc/69/28/30/1066692830.db2.gz CAMSOYPLYVONDG-RLWLMLJZSA-N 0 0 456.586 4.673 20 0 JJADRN Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(F)F)C2)c1 ZINC001492621711 1066692856 /nfs/dbraw/zinc/69/28/56/1066692856.db2.gz HFZPOGLLJAWCKN-FQEVSTJZSA-N 0 0 458.557 4.866 20 0 JJADRN Cc1cnn([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCSCC(F)(F)F)C2)c1 ZINC001492621717 1066692925 /nfs/dbraw/zinc/69/29/25/1066692925.db2.gz HIFSIRJTRGYSLN-GOSISDBHSA-N 0 0 482.551 4.650 20 0 JJADRN O=C(CCCc1ccc2c(c1)CCCC2)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC001456800617 1066693525 /nfs/dbraw/zinc/69/35/25/1066693525.db2.gz GIMCTBCOQGNDLY-NDEPHWFRSA-N 0 0 454.614 4.932 20 0 JJADRN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC([C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001545984784 1066694962 /nfs/dbraw/zinc/69/49/62/1066694962.db2.gz PLDZJFPXHWLQSE-LEWJYISDSA-N 0 0 461.651 4.634 20 0 JJADRN Cc1ccoc1C(=O)NCCCNC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001456803827 1066695265 /nfs/dbraw/zinc/69/52/65/1066695265.db2.gz OUPKZZBNTRXZNA-UHFFFAOYSA-N 0 0 452.363 4.877 20 0 JJADRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001456804782 1066695814 /nfs/dbraw/zinc/69/58/14/1066695814.db2.gz ASMJCDGXEMNJSC-DHIUTWEWSA-N 0 0 450.579 4.922 20 0 JJADRN Cc1cnn(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)CC2CCCC2)c1 ZINC001492624265 1066696373 /nfs/dbraw/zinc/69/63/73/1066696373.db2.gz RPRZPUJSEBVUDK-UHFFFAOYSA-N 0 0 461.383 4.678 20 0 JJADRN Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1OCC1CCOCC1 ZINC001456805888 1066696622 /nfs/dbraw/zinc/69/66/22/1066696622.db2.gz FZEMRLBKUFGYAB-UHFFFAOYSA-N 0 0 458.352 4.977 20 0 JJADRN Cc1cnn(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2c(C)noc2C)c1 ZINC001492624126 1066696691 /nfs/dbraw/zinc/69/66/91/1066696691.db2.gz QKMZEZNKMIUCLU-SFHVURJKSA-N 0 0 469.977 4.518 20 0 JJADRN Cc1cnn(CCn2c(-c3cc(F)ccc3Br)nnc2N(CC(C)C)C(C)C)c1 ZINC001492624374 1066696769 /nfs/dbraw/zinc/69/67/69/1066696769.db2.gz SZMJLDLFXJFGOB-UHFFFAOYSA-N 0 0 463.399 4.923 20 0 JJADRN COc1cccc(N(CC(=O)Nc2cc(C)ccc2-n2cc(C)cn2)C(=O)OC(C)(C)C)c1 ZINC001446371410 1066697705 /nfs/dbraw/zinc/69/77/05/1066697705.db2.gz DYJFAAADAPKAKS-UHFFFAOYSA-N 0 0 450.539 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C2 ZINC001456808895 1066697908 /nfs/dbraw/zinc/69/79/08/1066697908.db2.gz HRHGOWDMJAZGPS-DFBGVHRSSA-N 0 0 463.294 4.738 20 0 JJADRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1nn(-c2ccccc2)cc1Br ZINC001456810648 1066698675 /nfs/dbraw/zinc/69/86/75/1066698675.db2.gz GVTOTLSLIMKANE-OAHLLOKOSA-N 0 0 459.775 4.687 20 0 JJADRN CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)cc1 ZINC001446379937 1066698999 /nfs/dbraw/zinc/69/89/99/1066698999.db2.gz PDFWSOJOMCUYGA-OAHLLOKOSA-N 0 0 450.560 4.825 20 0 JJADRN Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c(C)cc1Br ZINC001456813792 1066699279 /nfs/dbraw/zinc/69/92/79/1066699279.db2.gz JPTHLJCXTNFJJM-FQEVSTJZSA-N 0 0 457.368 4.634 20 0 JJADRN CC(C)(C)c1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)nn1 ZINC001456816068 1066699942 /nfs/dbraw/zinc/69/99/42/1066699942.db2.gz DPHHQUMTBKQWBL-UHFFFAOYSA-N 0 0 451.367 4.909 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)ccc1OCc1cscn1 ZINC001456816894 1066700000 /nfs/dbraw/zinc/70/00/00/1066700000.db2.gz GEVCWHDXMLETGD-KRWDZBQOSA-N 0 0 457.983 4.783 20 0 JJADRN CCCCOCCN(C(=O)Cn1ccc2ccccc2c1=O)c1ccc(Br)cc1 ZINC001456815726 1066700092 /nfs/dbraw/zinc/70/00/92/1066700092.db2.gz BDJGCXYDXDZNOT-UHFFFAOYSA-N 0 0 457.368 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCCc1cc(Cl)ccc1Br)C2 ZINC001446387321 1066700300 /nfs/dbraw/zinc/70/03/00/1066700300.db2.gz HFUUIGYRCJGVBD-VYDXJSESSA-N 0 0 457.796 4.549 20 0 JJADRN Cc1cccc(Oc2ccccc2C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC001456821137 1066701230 /nfs/dbraw/zinc/70/12/30/1066701230.db2.gz ZSTGCBSCQYDHMU-UHFFFAOYSA-N 0 0 450.560 4.631 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001492629797 1066702004 /nfs/dbraw/zinc/70/20/04/1066702004.db2.gz HWDKAFWFUMJDJI-GDBMZVCRSA-N 0 0 476.444 4.891 20 0 JJADRN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001446396541 1066702078 /nfs/dbraw/zinc/70/20/78/1066702078.db2.gz MFPTYFOMEKTOTB-XMMPIXPASA-N 0 0 456.995 4.819 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)C2CC2)n1 ZINC001456828008 1066702333 /nfs/dbraw/zinc/70/23/33/1066702333.db2.gz BKMAFPNCIVRHRV-UHFFFAOYSA-N 0 0 459.568 4.795 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546085113 1066702478 /nfs/dbraw/zinc/70/24/78/1066702478.db2.gz DZKOLOYQYPUAFQ-AVRDEDQJSA-N 0 0 483.426 4.913 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCn2cccn2)s1 ZINC001492629908 1066702431 /nfs/dbraw/zinc/70/24/31/1066702431.db2.gz JTACZMWDADYCHU-FUHWJXTLSA-N 0 0 486.045 4.973 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)s1 ZINC001492629898 1066702480 /nfs/dbraw/zinc/70/24/80/1066702480.db2.gz JQQBVVMWEFONSJ-CQSZACIVSA-N 0 0 496.450 4.871 20 0 JJADRN CC[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545985380 1066702577 /nfs/dbraw/zinc/70/25/77/1066702577.db2.gz ZSNXMQAKXWCJRM-GMAHTHKFSA-N 0 0 499.656 4.653 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCCC2)s1 ZINC001492629956 1066702610 /nfs/dbraw/zinc/70/26/10/1066702610.db2.gz KTTVNBHXKPFPHL-MRXNPFEDSA-N 0 0 473.668 4.544 20 0 JJADRN Cc1ccc(-n2cc(C(=O)N3C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C3)c(-c3ccccc3)n2)cc1 ZINC001456830779 1066702879 /nfs/dbraw/zinc/70/28/79/1066702879.db2.gz GYTREJQWQDGMPX-KDURUIRLSA-N 0 0 456.512 4.945 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(F)c3ncccc3c2)c2ccc(OC)cc2)n1 ZINC001456830902 1066702934 /nfs/dbraw/zinc/70/29/34/1066702934.db2.gz FKDQGONGIYLYAB-UHFFFAOYSA-N 0 0 451.479 4.994 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)Cc2csc(C(C)(C)C)n2)c2ccc(OC)cc2)n1 ZINC001456831184 1066703037 /nfs/dbraw/zinc/70/30/37/1066703037.db2.gz FVDKMDQNSLWOGD-UHFFFAOYSA-N 0 0 459.593 4.990 20 0 JJADRN Cc1c(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cnn1-c1ccccc1 ZINC001446419815 1066703039 /nfs/dbraw/zinc/70/30/39/1066703039.db2.gz HDYWBKSLOVJINC-HSZRJFAPSA-N 0 0 455.518 4.711 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)s1 ZINC001492629978 1066703041 /nfs/dbraw/zinc/70/30/41/1066703041.db2.gz LGPYDRWAVFCBMN-WDSOQIARSA-N 0 0 474.675 4.806 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC(C)(C)COc3ccc(C(F)(F)F)cn3)CCC[C@H]12 ZINC001545985717 1066703082 /nfs/dbraw/zinc/70/30/82/1066703082.db2.gz MBEFPDFOPFRQGB-KSFYIVLOSA-N 0 0 471.520 4.554 20 0 JJADRN Nc1ccc(I)cc1C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001446419427 1066703138 /nfs/dbraw/zinc/70/31/38/1066703138.db2.gz GLUQQXGTRSDRGF-OAQYLSRUSA-N 0 0 454.311 4.813 20 0 JJADRN CCc1nc([C@@H]2CCCCN2C(=O)c2csc(-c3cc(Br)cs3)n2)no1 ZINC001456834332 1066703498 /nfs/dbraw/zinc/70/34/98/1066703498.db2.gz RZGFVGZPXSKOCC-LBPRGKRZSA-N 0 0 453.387 4.947 20 0 JJADRN CCc1nc([C@H]2CCCCN2C(=O)c2cc(Oc3cccc(Br)c3)ccn2)no1 ZINC001456834910 1066703590 /nfs/dbraw/zinc/70/35/90/1066703590.db2.gz UXXDGRZGZSZKMC-GOSISDBHSA-N 0 0 457.328 4.949 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc3ccccc3)c1)CCC2 ZINC001446423687 1066703515 /nfs/dbraw/zinc/70/35/15/1066703515.db2.gz PBJWDCGPAVTMNS-LOSJGSFVSA-N 0 0 459.546 4.781 20 0 JJADRN COc1ccc2c(c1)[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)CCC2 ZINC001446420294 1066703535 /nfs/dbraw/zinc/70/35/35/1066703535.db2.gz AFHDYEHBDVAYPP-CCLHPLFOSA-N 0 0 450.398 4.539 20 0 JJADRN Nc1cn(Cc2ccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)nc1C(F)(F)F ZINC001446419970 1066703601 /nfs/dbraw/zinc/70/36/01/1066703601.db2.gz BHAWVVYQHJREEE-UHFFFAOYSA-N 0 0 450.371 4.530 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC2CCOCC2)s1 ZINC001492630298 1066703985 /nfs/dbraw/zinc/70/39/85/1066703985.db2.gz RKTDGDZCNKXEOP-OAHLLOKOSA-N 0 0 477.581 4.978 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC001446425660 1066703976 /nfs/dbraw/zinc/70/39/76/1066703976.db2.gz SBADYSROJWRFTK-XMMPIXPASA-N 0 0 450.579 4.729 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccn2)s1 ZINC001492630213 1066704065 /nfs/dbraw/zinc/70/40/65/1066704065.db2.gz PYHPPQYRUGIAQU-AWEZNQCLSA-N 0 0 486.443 4.646 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(C(C)C)nnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1 ZINC001492630312 1066704078 /nfs/dbraw/zinc/70/40/78/1066704078.db2.gz RRFLASDUPBRKCR-QGZVFWFLSA-N 0 0 484.645 4.642 20 0 JJADRN CCOC(=O)c1csc(N(C(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)C2CC2)n1 ZINC001456840655 1066704181 /nfs/dbraw/zinc/70/41/81/1066704181.db2.gz XCHJYZLVCMXKGL-UHFFFAOYSA-N 0 0 456.568 4.816 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)N(Cc3ccc(OC)cc3)c3ccncc3)c(=O)oc2c1 ZINC001456843224 1066704475 /nfs/dbraw/zinc/70/44/75/1066704475.db2.gz WYTHYZFUWDTQGZ-UHFFFAOYSA-N 0 0 457.530 4.890 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001492630340 1066704489 /nfs/dbraw/zinc/70/44/89/1066704489.db2.gz SDGDNURSGZVONQ-QGZVFWFLSA-N 0 0 497.669 4.744 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001492630444 1066704619 /nfs/dbraw/zinc/70/46/19/1066704619.db2.gz UMDYFNYZSUNHAZ-OXJNMPFZSA-N 0 0 473.668 4.542 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001456841528 1066704671 /nfs/dbraw/zinc/70/46/71/1066704671.db2.gz PVQCYBZHFMTLBI-DVECYGJZSA-N 0 0 455.913 4.890 20 0 JJADRN Cc1cc(C)cc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC001456850463 1066705775 /nfs/dbraw/zinc/70/57/75/1066705775.db2.gz WOZCNMVOJRSEQT-QFIPXVFZSA-N 0 0 456.533 4.916 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC001492630719 1066706117 /nfs/dbraw/zinc/70/61/17/1066706117.db2.gz ZODCLJAYLAYZPU-QNXPBUOUSA-N 0 0 480.663 4.844 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2c(C)noc2C)s1 ZINC001492630891 1066706155 /nfs/dbraw/zinc/70/61/55/1066706155.db2.gz BYNFPHWTLVSMLW-INIZCTEOSA-N 0 0 450.612 4.987 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H]2CCCOC2)s1 ZINC001492630740 1066706229 /nfs/dbraw/zinc/70/62/29/1066706229.db2.gz ZTAGRNSAAWDFDG-NEWSRXKRSA-N 0 0 473.618 4.989 20 0 JJADRN CCOC(=O)c1csc(N(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)n1 ZINC001456854816 1066706204 /nfs/dbraw/zinc/70/62/04/1066706204.db2.gz NYOKXAFYYGJNOW-UHFFFAOYSA-N 0 0 458.540 4.503 20 0 JJADRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001545985877 1066706255 /nfs/dbraw/zinc/70/62/55/1066706255.db2.gz RDMZJUILGONVMX-HXUWFJFHSA-N 0 0 453.848 4.985 20 0 JJADRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001545985903 1066706283 /nfs/dbraw/zinc/70/62/83/1066706283.db2.gz RZJIQBDAIOWUIS-OAHLLOKOSA-N 0 0 451.272 4.805 20 0 JJADRN CS[C@@H]1CCCCN(C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC001446444526 1066706290 /nfs/dbraw/zinc/70/62/90/1066706290.db2.gz SPUCREQKFOGSNG-CQSZACIVSA-N 0 0 451.683 4.643 20 0 JJADRN Cc1cc(O)ccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC001446459220 1066706318 /nfs/dbraw/zinc/70/63/18/1066706318.db2.gz KYUXMRVGUBRZPR-UHFFFAOYSA-N 0 0 455.308 4.733 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(C)C)C2)s1 ZINC001492631071 1066706649 /nfs/dbraw/zinc/70/66/49/1066706649.db2.gz FOHACEQUBFNURP-JXFKEZNVSA-N 0 0 460.047 4.952 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)s1 ZINC001492630932 1066706891 /nfs/dbraw/zinc/70/68/91/1066706891.db2.gz CGAAQSHGBJPQMQ-OPYAIIAOSA-N 0 0 469.655 4.904 20 0 JJADRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001446462480 1066706943 /nfs/dbraw/zinc/70/69/43/1066706943.db2.gz UXNJARPVNCQOAX-UKRRQHHQSA-N 0 0 452.454 4.591 20 0 JJADRN COc1cc(C)ccc1C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC001456858768 1066707292 /nfs/dbraw/zinc/70/72/92/1066707292.db2.gz BNIISUFBQZSPPC-UHFFFAOYSA-N 0 0 459.365 4.775 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(C1)CCCCC2)OC ZINC001545986365 1066707421 /nfs/dbraw/zinc/70/74/21/1066707421.db2.gz DUDJEMLDTSLCBR-NHCUHLMSSA-N 0 0 475.678 4.978 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C ZINC001545986330 1066707548 /nfs/dbraw/zinc/70/75/48/1066707548.db2.gz DBIYWLOBKQCOGZ-LEWJYISDSA-N 0 0 487.645 4.511 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(C)C)C2)s1 ZINC001492631072 1066707479 /nfs/dbraw/zinc/70/74/79/1066707479.db2.gz FOHACEQUBFNURP-OXJNMPFZSA-N 0 0 460.047 4.952 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(Br)c(C)n3)cn2c1 ZINC001456858622 1066707487 /nfs/dbraw/zinc/70/74/87/1066707487.db2.gz HTALHLJPAACLOC-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN CC(=O)NC1CCC(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)CC1 ZINC001456859469 1066707503 /nfs/dbraw/zinc/70/75/03/1066707503.db2.gz IPFWFZUGTCSCKW-MXJXRJBTSA-N 0 0 457.412 4.718 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(Cl)c(F)c2)s1 ZINC001492631402 1066707808 /nfs/dbraw/zinc/70/78/08/1066707808.db2.gz KFOIFYOVBLUYIC-ZDUSSCGKSA-N 0 0 459.982 4.676 20 0 JJADRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CCSc2ccccc2Br)n1 ZINC001456860719 1066707910 /nfs/dbraw/zinc/70/79/10/1066707910.db2.gz JSPJKRNXLIJTTF-CQSZACIVSA-N 0 0 456.406 4.707 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1)OC ZINC001545986438 1066707964 /nfs/dbraw/zinc/70/79/64/1066707964.db2.gz FSPGZTPKMCJTFR-LEWJYISDSA-N 0 0 463.667 4.690 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986485 1066708071 /nfs/dbraw/zinc/70/80/71/1066708071.db2.gz GKRAYNCUDRGNEN-FPOVZHCZSA-N 0 0 493.574 4.608 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CCOCC2)s1 ZINC001492631616 1066708293 /nfs/dbraw/zinc/70/82/93/1066708293.db2.gz OJCJLLQXMMMJDQ-MRXNPFEDSA-N 0 0 460.047 4.954 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2c(C)cccc2C1)NC(=O)OC(C)(C)C ZINC001545986561 1066708434 /nfs/dbraw/zinc/70/84/34/1066708434.db2.gz HPHBGBKEFRIBCV-IRLDBZIGSA-N 0 0 469.630 4.694 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545986579 1066708585 /nfs/dbraw/zinc/70/85/85/1066708585.db2.gz HSEQEBHLAQRILP-WOJBJXKFSA-N 0 0 461.651 4.984 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cccs1)Oc1ccccc1F ZINC001545986604 1066708649 /nfs/dbraw/zinc/70/86/49/1066708649.db2.gz IALIZCBZEBMFLW-MOPGFXCFSA-N 0 0 458.603 4.909 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492631756 1066709047 /nfs/dbraw/zinc/70/90/47/1066709047.db2.gz QQPPOQXUUHBRAS-RHSMWYFYSA-N 0 0 457.566 4.910 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(F)(F)F)CC2)s1 ZINC001492631758 1066709058 /nfs/dbraw/zinc/70/90/58/1066709058.db2.gz QQPPOQXUUHBRAS-YOEHRIQHSA-N 0 0 457.566 4.910 20 0 JJADRN CCCc1c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC001446486751 1066709655 /nfs/dbraw/zinc/70/96/55/1066709655.db2.gz LFZSGPQUBMLSHP-SIKLNZKXSA-N 0 0 456.949 4.741 20 0 JJADRN O=C(CSCc1ccc(Br)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446487812 1066710214 /nfs/dbraw/zinc/71/02/14/1066710214.db2.gz PKVNWZGDLBCCSL-VQTJNVASSA-N 0 0 452.389 4.936 20 0 JJADRN COc1ncc(/C=C/C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC001456867057 1066710215 /nfs/dbraw/zinc/71/02/15/1066710215.db2.gz YHWNITYOGWGSDJ-RGPPVUSESA-N 0 0 452.352 4.535 20 0 JJADRN Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(Br)c(C)n4)c3)cn2c1 ZINC001456866983 1066710227 /nfs/dbraw/zinc/71/02/27/1066710227.db2.gz XQXMLZWMDJPZMR-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN COc1ccc(C(=O)CCCC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1 ZINC001446494109 1066710545 /nfs/dbraw/zinc/71/05/45/1066710545.db2.gz NHNOAUVYAMHZFY-OAQYLSRUSA-N 0 0 455.555 4.649 20 0 JJADRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001446497135 1066710740 /nfs/dbraw/zinc/71/07/40/1066710740.db2.gz PTBOEWGDXSDETG-UHFFFAOYSA-N 0 0 458.440 4.574 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N3CCN(c4ccc(Cl)cn4)CC3)nnc2C(C)(C)C)s1 ZINC001492632628 1066711394 /nfs/dbraw/zinc/71/13/94/1066711394.db2.gz JKALNDPUDKRJLP-HNNXBMFYSA-N 0 0 460.051 4.519 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Oc1ccc(Br)cc1 ZINC001456873379 1066711585 /nfs/dbraw/zinc/71/15/85/1066711585.db2.gz DEFHHWKMBGLYDV-AWEZNQCLSA-N 0 0 459.365 4.960 20 0 JJADRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 ZINC001456873950 1066711611 /nfs/dbraw/zinc/71/16/11/1066711611.db2.gz MBKZFIZSHIYYAX-IBGZPJMESA-N 0 0 459.550 4.909 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1)OC ZINC001545987005 1066711579 /nfs/dbraw/zinc/71/15/79/1066711579.db2.gz NLDCAZSMHVFTJY-UXHICEINSA-N 0 0 491.702 4.948 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1)OC ZINC001545987006 1066711689 /nfs/dbraw/zinc/71/16/89/1066711689.db2.gz NLDCAZSMHVFTJY-VQTJNVASSA-N 0 0 491.702 4.948 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@](C)(O)C(C)C)CC2)s1 ZINC001492632864 1066712078 /nfs/dbraw/zinc/71/20/78/1066712078.db2.gz OVSWQOLFSUNMCG-SANMLTNESA-N 0 0 496.681 4.703 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)cc1NC(=O)OC(C)(C)C ZINC001456876472 1066712193 /nfs/dbraw/zinc/71/21/93/1066712193.db2.gz CGPZOYMHZDMPHV-UHFFFAOYSA-N 0 0 451.498 4.943 20 0 JJADRN CS(C)(=O)=Nc1cccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)c1 ZINC001446510639 1066712315 /nfs/dbraw/zinc/71/23/15/1066712315.db2.gz VEEYUUPCNHGHDF-UHFFFAOYSA-N 0 0 452.967 4.968 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)C1(CNC(=O)OCc3ccccc3)CCCC1)C2 ZINC001446511227 1066712361 /nfs/dbraw/zinc/71/23/61/1066712361.db2.gz FNMORGPMTYIBQE-UHFFFAOYSA-N 0 0 450.579 4.847 20 0 JJADRN COc1cc(I)c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1OC ZINC001456879508 1066712715 /nfs/dbraw/zinc/71/27/15/1066712715.db2.gz GENUYGDARXIGKL-SWLSCSKDSA-N 0 0 455.292 4.515 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(F)(F)F)CC2)s1 ZINC001492633129 1066713071 /nfs/dbraw/zinc/71/30/71/1066713071.db2.gz VEPXRVDCOQLTCX-CQSZACIVSA-N 0 0 450.534 4.611 20 0 JJADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)CC2)c(C)c1 ZINC001456879788 1066713363 /nfs/dbraw/zinc/71/33/63/1066713363.db2.gz GJIUJPKXUSLRHT-JTSKRJEESA-N 0 0 458.624 4.605 20 0 JJADRN Cc1cnc([C@H](C)Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCC2(C)C)s1 ZINC001492633177 1066713462 /nfs/dbraw/zinc/71/34/62/1066713462.db2.gz VZPFVOVDDMGBIK-NXHRZFHOSA-N 0 0 474.675 4.996 20 0 JJADRN COc1ccc(NC(=O)c2ccccc2SCc2csc(C)n2)cc1N1CCOC1=O ZINC001456886254 1066713811 /nfs/dbraw/zinc/71/38/11/1066713811.db2.gz RUMYSUWBTNZHQK-UHFFFAOYSA-N 0 0 455.561 4.961 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N3C[C@@H](C)[C@H](C(F)(F)F)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001492633392 1066713914 /nfs/dbraw/zinc/71/39/14/1066713914.db2.gz ZIRGWBXKILWPQN-BONWFUQQSA-N 0 0 487.592 4.522 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)nnc2C(C)(C)C)s1 ZINC001492633337 1066713934 /nfs/dbraw/zinc/71/39/34/1066713934.db2.gz YRXVQIUGDSKGRN-NVXWUHKLSA-N 0 0 475.663 4.897 20 0 JJADRN Cc1cnc([C@@H](C)Cn2c(N(C)Cc3nc([C@@H](C)OCC(C)C)no3)nnc2C(C)(C)C)s1 ZINC001492633335 1066714020 /nfs/dbraw/zinc/71/40/20/1066714020.db2.gz YRXVQIUGDSKGRN-DOTOQJQBSA-N 0 0 475.663 4.897 20 0 JJADRN Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001492633362 1066714032 /nfs/dbraw/zinc/71/40/32/1066714032.db2.gz YWDHUAKPVKAAKO-MSOLQXFVSA-N 0 0 492.615 4.705 20 0 JJADRN CC(C)[C@H]1CCc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)sc2C1 ZINC001456886630 1066714319 /nfs/dbraw/zinc/71/43/19/1066714319.db2.gz MLYBNQWHZSRCLQ-INIZCTEOSA-N 0 0 455.605 4.957 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(C)n3CCc3cc(Br)ccc3F)CC2)s1 ZINC001492633767 1066714431 /nfs/dbraw/zinc/71/44/31/1066714431.db2.gz OHFHOYNWWOXGIV-UHFFFAOYSA-N 0 0 464.408 4.880 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001446520608 1066714586 /nfs/dbraw/zinc/71/45/86/1066714586.db2.gz PXCRPEARXMHYDJ-HTAPYJJXSA-N 0 0 458.965 4.801 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001456890210 1066715328 /nfs/dbraw/zinc/71/53/28/1066715328.db2.gz VEZIOUJRYJIYMX-QFIPXVFZSA-N 0 0 451.567 4.848 20 0 JJADRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001456890323 1066715463 /nfs/dbraw/zinc/71/54/63/1066715463.db2.gz DKOAEOUZTTWPJJ-OAQYLSRUSA-N 0 0 453.583 4.747 20 0 JJADRN Cc1cnc(C2CCN(c3nnc(-c4cccnc4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001492633682 1066715507 /nfs/dbraw/zinc/71/55/07/1066715507.db2.gz KZJZMOMXSHMUGH-QGZVFWFLSA-N 0 0 497.669 4.744 20 0 JJADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001456893148 1066715938 /nfs/dbraw/zinc/71/59/38/1066715938.db2.gz CIPJEOBJMMFVRK-NYHFZMIOSA-N 0 0 456.384 4.667 20 0 JJADRN COC(=O)[C@@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)Cc1ccccc1OC ZINC001446531532 1066716466 /nfs/dbraw/zinc/71/64/66/1066716466.db2.gz BXVKOLQMIUIALN-LUQQZNFBSA-N 0 0 453.535 4.724 20 0 JJADRN NS(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCC2)c2ccc(Oc3ccccc3)cc2)co1 ZINC001446531082 1066716488 /nfs/dbraw/zinc/71/64/88/1066716488.db2.gz DWOJCEPCHMQAEG-JOCHJYFZSA-N 0 0 454.548 4.771 20 0 JJADRN Cc1coc(C)c1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001492634324 1066716600 /nfs/dbraw/zinc/71/66/00/1066716600.db2.gz KESRTXWTSVHUOR-UHFFFAOYSA-N 0 0 476.524 4.640 20 0 JJADRN O=C(Cc1cccc(OC(F)(F)F)c1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001446531292 1066716558 /nfs/dbraw/zinc/71/65/58/1066716558.db2.gz FJRALOWBHJGPSG-RUZDIDTESA-N 0 0 455.476 4.991 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnccc3OC(C)(C)C)cc2)c1C ZINC001446530456 1066716579 /nfs/dbraw/zinc/71/65/79/1066716579.db2.gz AQKAUBJCECGAMW-UHFFFAOYSA-N 0 0 453.564 4.929 20 0 JJADRN CN(C(=O)Cc1csc(Cc2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001446529891 1066716702 /nfs/dbraw/zinc/71/67/02/1066716702.db2.gz KQYGPQDOOLFPDJ-WCRBZPEASA-N 0 0 455.624 4.665 20 0 JJADRN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N(Cc1csc(Br)c1)C1CC1 ZINC001446532657 1066717063 /nfs/dbraw/zinc/71/70/63/1066717063.db2.gz CYQRPSRHMTZOEW-INIZCTEOSA-N 0 0 452.395 4.723 20 0 JJADRN O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N(Cc1csc(Br)c1)C1CC1 ZINC001446532660 1066717211 /nfs/dbraw/zinc/71/72/11/1066717211.db2.gz CYQRPSRHMTZOEW-MRXNPFEDSA-N 0 0 452.395 4.723 20 0 JJADRN CON(C)S(=O)(=O)c1cc(NC(=O)CCCc2ccc(CC(C)C)cc2)ccc1Cl ZINC001456899057 1066717450 /nfs/dbraw/zinc/71/74/50/1066717450.db2.gz BAAQLGPFYQOPEF-UHFFFAOYSA-N 0 0 453.004 4.682 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2CCc2csc(C)n2)CCO1 ZINC001546085524 1066717459 /nfs/dbraw/zinc/71/74/59/1066717459.db2.gz MZVBNTFKGTWPFC-LJQANCHMSA-N 0 0 482.473 4.782 20 0 JJADRN C[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC001446536846 1066717639 /nfs/dbraw/zinc/71/76/39/1066717639.db2.gz LNFLCNXUUJRKAA-OGQCEUPSSA-N 0 0 478.633 4.885 20 0 JJADRN CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 ZINC001446536302 1066717702 /nfs/dbraw/zinc/71/77/02/1066717702.db2.gz KSLSDRJPENQECB-GDLZYMKVSA-N 0 0 457.570 4.911 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2cnccc2OC(C)(C)C)c1)c1ccccc1 ZINC001446534790 1066717724 /nfs/dbraw/zinc/71/77/24/1066717724.db2.gz IZNCRNLQHPEGKD-KRWDZBQOSA-N 0 0 453.564 4.551 20 0 JJADRN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456901789 1066717865 /nfs/dbraw/zinc/71/78/65/1066717865.db2.gz WXEFLDLFRMPDCO-UHFFFAOYSA-N 0 0 451.679 4.530 20 0 JJADRN Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001492635079 1066718345 /nfs/dbraw/zinc/71/83/45/1066718345.db2.gz GVXPOVODMRICGT-OAQYLSRUSA-N 0 0 471.671 4.696 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)C1 ZINC001446538129 1066718358 /nfs/dbraw/zinc/71/83/58/1066718358.db2.gz ONVGORJHGOMLMX-IQANXLHVSA-N 0 0 478.633 4.933 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC001446539734 1066718476 /nfs/dbraw/zinc/71/84/76/1066718476.db2.gz AFDQQVIWIQUKDH-FGZHOGPDSA-N 0 0 451.592 4.654 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCSC2)CCO1 ZINC001546085561 1066718599 /nfs/dbraw/zinc/71/85/99/1066718599.db2.gz NOXDNSWWNXMZEL-KUHUBIRLSA-N 0 0 471.490 4.918 20 0 JJADRN Cc1coc(C)c1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cscn1 ZINC001492635667 1066718818 /nfs/dbraw/zinc/71/88/18/1066718818.db2.gz YIOXJHGLIZPZQJ-SFHVURJKSA-N 0 0 486.642 4.744 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC001545987261 1066718961 /nfs/dbraw/zinc/71/89/61/1066718961.db2.gz QYDQPDAYVSWIDF-ICSRJNTNSA-N 0 0 479.572 4.738 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492635977 1066719266 /nfs/dbraw/zinc/71/92/66/1066719266.db2.gz HHKLWFARVNNNJK-HXUWFJFHSA-N 0 0 499.587 4.748 20 0 JJADRN CC[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(C(F)(F)F)cs1 ZINC001456911331 1066719456 /nfs/dbraw/zinc/71/94/56/1066719456.db2.gz GIYMBFNDDGYLBA-MRXNPFEDSA-N 0 0 459.449 4.844 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001446551436 1066719518 /nfs/dbraw/zinc/71/95/18/1066719518.db2.gz GSPNAKMMUDDYGS-HBMCJLEFSA-N 0 0 450.645 4.528 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1ccc(Oc2ccccc2Cl)cc1)Cc1ccccc1OC ZINC001446544358 1066719544 /nfs/dbraw/zinc/71/95/44/1066719544.db2.gz RSAKULUJFDBCBB-IBGZPJMESA-N 0 0 453.922 4.903 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)N[C@H](CC)Cc1ccccc1C(F)(F)F)NC(C)=O ZINC001456913152 1066720129 /nfs/dbraw/zinc/72/01/29/1066720129.db2.gz JFLNFCUACNMKRK-NQIIRXRSSA-N 0 0 450.501 4.809 20 0 JJADRN Cc1coc(C)c1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492636358 1066720543 /nfs/dbraw/zinc/72/05/43/1066720543.db2.gz RCMXPPJLZCBGKP-LJQANCHMSA-N 0 0 499.587 4.748 20 0 JJADRN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c2ccccc2)cc1 ZINC001456916995 1066720630 /nfs/dbraw/zinc/72/06/30/1066720630.db2.gz CLYNQZSIILQKFV-AHKZPQOWSA-N 0 0 455.602 4.950 20 0 JJADRN CC[C@@H](NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1)c1nc(C(F)(F)F)cs1 ZINC001456916069 1066720774 /nfs/dbraw/zinc/72/07/74/1066720774.db2.gz MQYCLPFQEFCBDU-OAHLLOKOSA-N 0 0 453.442 4.813 20 0 JJADRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)CCc2cccc(OC)c2F)cc1 ZINC001456923057 1066722808 /nfs/dbraw/zinc/72/28/08/1066722808.db2.gz ONJYHRRVRYSHPV-UHFFFAOYSA-N 0 0 457.523 4.992 20 0 JJADRN O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001446579905 1066722904 /nfs/dbraw/zinc/72/29/04/1066722904.db2.gz RNSUGVDZQYWOMU-UHFFFAOYSA-N 0 0 455.345 4.730 20 0 JJADRN O=C(Cc1ccc(Br)c(Cl)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC001446572835 1066722969 /nfs/dbraw/zinc/72/29/69/1066722969.db2.gz CIGUOIZDLCYJBL-UHFFFAOYSA-N 0 0 450.789 4.604 20 0 JJADRN CSC1(CNC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CCOCC1 ZINC001456923040 1066722951 /nfs/dbraw/zinc/72/29/51/1066722951.db2.gz OLFLNMBBFNUHIR-UHFFFAOYSA-N 0 0 456.391 4.806 20 0 JJADRN CO[C@H](CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccc(Cl)cc1 ZINC001456922284 1066723027 /nfs/dbraw/zinc/72/30/27/1066723027.db2.gz PYKLUTLZZRAIRT-LJQANCHMSA-N 0 0 459.015 4.682 20 0 JJADRN Cc1csc([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCC(C)C)n1 ZINC001492637244 1066722905 /nfs/dbraw/zinc/72/29/05/1066722905.db2.gz NIYILXSKIFVHPV-MRXNPFEDSA-N 0 0 475.062 4.912 20 0 JJADRN COc1cccc(Nc2ccccc2C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC001446577604 1066723085 /nfs/dbraw/zinc/72/30/85/1066723085.db2.gz BFHROZIIXDWYKP-OAQYLSRUSA-N 0 0 456.951 4.693 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2F)cc1 ZINC001456921474 1066723080 /nfs/dbraw/zinc/72/30/80/1066723080.db2.gz DPSPGEWBGWJTOF-HSZRJFAPSA-N 0 0 455.505 4.602 20 0 JJADRN O=C(Nc1cccc2ccsc21)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC001446585242 1066723493 /nfs/dbraw/zinc/72/34/93/1066723493.db2.gz LDWAPEWUNBGVMP-SFHVURJKSA-N 0 0 458.381 4.977 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCn2cccn2)n1 ZINC001492637410 1066723439 /nfs/dbraw/zinc/72/34/39/1066723439.db2.gz QTDZTXIBBGZRET-RXVVDRJESA-N 0 0 479.654 4.936 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492637415 1066723580 /nfs/dbraw/zinc/72/35/80/1066723580.db2.gz QUJVJDNACACPEV-IVMQYODDSA-N 0 0 470.618 4.900 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C)C2)n1 ZINC001492637562 1066724102 /nfs/dbraw/zinc/72/41/02/1066724102.db2.gz USGAFUALXMQXMW-OCCSQVGLSA-N 0 0 480.407 4.640 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC34CCCC4)c2)cc1 ZINC001456928638 1066724420 /nfs/dbraw/zinc/72/44/20/1066724420.db2.gz WQAFQVIPTOVARI-HSZRJFAPSA-N 0 0 456.608 4.662 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)F)n1 ZINC001492637742 1066724592 /nfs/dbraw/zinc/72/45/92/1066724592.db2.gz YVEIEEHJVXQWFR-LLVKDONJSA-N 0 0 473.391 4.706 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC(C)(C)C2)n1 ZINC001492637705 1066724599 /nfs/dbraw/zinc/72/45/99/1066724599.db2.gz XTUGOGIFGIKDHA-IAGOWNOFSA-N 0 0 487.695 4.790 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)Oc1ccccc1F ZINC001545987593 1066724589 /nfs/dbraw/zinc/72/45/89/1066724589.db2.gz UWPAAWHSJWXCOM-QZTJIDSGSA-N 0 0 498.521 4.517 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)c2ccccc2)n1 ZINC001492637917 1066725167 /nfs/dbraw/zinc/72/51/67/1066725167.db2.gz AXKFEALPZAGDPK-MSOLQXFVSA-N 0 0 463.655 4.948 20 0 JJADRN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC001456935380 1066725454 /nfs/dbraw/zinc/72/54/54/1066725454.db2.gz VBHLABQLHWHSBJ-IXXVIUMTSA-N 0 0 452.599 4.769 20 0 JJADRN O=C(Nc1ccccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1)c1ccc(Cl)cc1 ZINC001456934494 1066725559 /nfs/dbraw/zinc/72/55/59/1066725559.db2.gz IEZPKYHVYIBDOI-RZDIXWSQSA-N 0 0 450.926 4.544 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCOCC2)n1 ZINC001492638174 1066725488 /nfs/dbraw/zinc/72/54/88/1066725488.db2.gz DMMTZEZMDBDVGB-INIZCTEOSA-N 0 0 476.046 4.942 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c(I)cc1Cl ZINC001456937102 1066726016 /nfs/dbraw/zinc/72/60/16/1066726016.db2.gz KDMJALUPQSTQTA-SCLBCKFNSA-N 0 0 455.723 4.855 20 0 JJADRN COC(=O)[C@@H](CNC(=O)c1cnc(-c2ccccc2Br)s1)CC1CCCC1 ZINC001456936059 1066726045 /nfs/dbraw/zinc/72/60/45/1066726045.db2.gz IMOAHMJAWDMDFS-CQSZACIVSA-N 0 0 451.386 4.672 20 0 JJADRN Cc1csc([C@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 ZINC001492638387 1066726046 /nfs/dbraw/zinc/72/60/46/1066726046.db2.gz FTYOCGCCUQWNSP-DWXRJYCRSA-N 0 0 496.681 4.640 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3ccoc3C)CC2)n1 ZINC001492638270 1066726073 /nfs/dbraw/zinc/72/60/73/1066726073.db2.gz DNLYCTVRIAJCPW-INIZCTEOSA-N 0 0 484.670 4.736 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC001446619189 1066726065 /nfs/dbraw/zinc/72/60/65/1066726065.db2.gz SWENMGUZQLXRRN-GERBCZOESA-N 0 0 456.608 4.614 20 0 JJADRN CN(C(=O)C1(c2cccc(Br)c2)CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456940301 1066726413 /nfs/dbraw/zinc/72/64/13/1066726413.db2.gz NDNCEKTUSQFDJS-GOSISDBHSA-N 0 0 451.405 4.729 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001546085686 1066726461 /nfs/dbraw/zinc/72/64/61/1066726461.db2.gz PZBYLJAGHGSONH-MHZLTWQESA-N 0 0 495.624 4.588 20 0 JJADRN Cc1nc2ccccc2c(C)c1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001446621130 1066726640 /nfs/dbraw/zinc/72/66/40/1066726640.db2.gz PJGSEDWGVXBXAO-UHFFFAOYSA-N 0 0 456.359 4.711 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492638703 1066726995 /nfs/dbraw/zinc/72/69/95/1066726995.db2.gz JNJSBTAHARSZBN-RXVVDRJESA-N 0 0 453.656 4.883 20 0 JJADRN Cc1nc2c(s1)[C@H](NC(=O)c1ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc1)CCC2 ZINC001446640143 1066727750 /nfs/dbraw/zinc/72/77/50/1066727750.db2.gz FSJZXFXYDJWBOL-HXUWFJFHSA-N 0 0 459.568 4.507 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)n1 ZINC001492638965 1066727613 /nfs/dbraw/zinc/72/76/13/1066727613.db2.gz KQTYFHHUHAQAMR-SFHVURJKSA-N 0 0 475.622 4.600 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[C@@H]1c1ccccc1 ZINC001456944532 1066727698 /nfs/dbraw/zinc/72/76/98/1066727698.db2.gz ZRMKJUDEKIMQIE-ZBFHGGJFSA-N 0 0 459.775 4.949 20 0 JJADRN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1C ZINC001446642999 1066728262 /nfs/dbraw/zinc/72/82/62/1066728262.db2.gz QANRFSQOAZYHDI-SFHVURJKSA-N 0 0 456.440 4.674 20 0 JJADRN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001446642839 1066728361 /nfs/dbraw/zinc/72/83/61/1066728361.db2.gz MBVZBPVVHSVDIJ-UHFFFAOYSA-N 0 0 457.456 4.774 20 0 JJADRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC001456951493 1066728697 /nfs/dbraw/zinc/72/86/97/1066728697.db2.gz BMHKJJOKBVWDMV-UHFFFAOYSA-N 0 0 452.526 4.861 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 ZINC001446650991 1066728855 /nfs/dbraw/zinc/72/88/55/1066728855.db2.gz CKEGGFWYGZPBQU-RJGXRXQPSA-N 0 0 454.611 4.680 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(N(C)Cc3cccs3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492639664 1066729126 /nfs/dbraw/zinc/72/91/26/1066729126.db2.gz RYCFXYXSKPGJGR-AOMKIAJQSA-N 0 0 461.657 4.585 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCCS1 ZINC001446651742 1066729188 /nfs/dbraw/zinc/72/91/88/1066729188.db2.gz MIRQEPDQPKNACJ-MOPGFXCFSA-N 0 0 452.620 4.953 20 0 JJADRN O=C(c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)N1CCCCC[C@@H]1c1ncon1 ZINC001446653069 1066729256 /nfs/dbraw/zinc/72/92/56/1066729256.db2.gz ZACAUKFVGYDPMY-MRXNPFEDSA-N 0 0 453.852 4.744 20 0 JJADRN CC(=O)OCCCc1cccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 ZINC001446652416 1066729390 /nfs/dbraw/zinc/72/93/90/1066729390.db2.gz ORDXHXIOYJKFKU-UHFFFAOYSA-N 0 0 456.901 4.877 20 0 JJADRN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC001446658230 1066729895 /nfs/dbraw/zinc/72/98/95/1066729895.db2.gz KOLJRYBAEGVPKC-RNLRLKOUSA-N 0 0 457.517 4.873 20 0 JJADRN CN(C[C@@H]1CC=CCC1)C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446659476 1066729901 /nfs/dbraw/zinc/72/99/01/1066729901.db2.gz WPLIQADMAKJHHB-AUSIDOKSSA-N 0 0 455.396 4.664 20 0 JJADRN Cc1csc([C@H](C)Cn2c(N(C)Cc3ccccc3F)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001492640065 1066730168 /nfs/dbraw/zinc/73/01/68/1066730168.db2.gz WMHVSGZJGICMCP-OSPHWJPCSA-N 0 0 473.618 4.663 20 0 JJADRN CN(C[C@H]1CC=CCC1)C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC001446659486 1066730364 /nfs/dbraw/zinc/73/03/64/1066730364.db2.gz WPLIQADMAKJHHB-WMZHIEFXSA-N 0 0 455.396 4.664 20 0 JJADRN Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492640099 1066730704 /nfs/dbraw/zinc/73/07/04/1066730704.db2.gz WXMZAXRNSCVPBD-WBVHZDCISA-N 0 0 462.019 4.694 20 0 JJADRN Cc1csc([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)c2ccco2)n1 ZINC001492640282 1066730848 /nfs/dbraw/zinc/73/08/48/1066730848.db2.gz YNYZTEMEOCNJTE-ZBFHGGJFSA-N 0 0 470.624 4.629 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC001456964976 1066731139 /nfs/dbraw/zinc/73/11/39/1066731139.db2.gz VSVQGPCELUKGEV-DNVCBOLYSA-N 0 0 458.559 4.569 20 0 JJADRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 ZINC001456965023 1066731205 /nfs/dbraw/zinc/73/12/05/1066731205.db2.gz LKOQYLYCRNNMHI-GCJKJVERSA-N 0 0 454.368 4.841 20 0 JJADRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC001492640374 1066731327 /nfs/dbraw/zinc/73/13/27/1066731327.db2.gz WSEUDPDGFWHCCC-SFHVURJKSA-N 0 0 470.662 4.897 20 0 JJADRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 ZINC001456965028 1066731249 /nfs/dbraw/zinc/73/12/49/1066731249.db2.gz LKOQYLYCRNNMHI-XMSQKQJNSA-N 0 0 454.368 4.841 20 0 JJADRN COc1ccc2c(c1)OCC[C@H]2NC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001456964339 1066731310 /nfs/dbraw/zinc/73/13/10/1066731310.db2.gz WFNUNGCWRFOGJT-NHCUHLMSSA-N 0 0 458.599 4.843 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCOCC(F)F)CCO1 ZINC001546085846 1066731341 /nfs/dbraw/zinc/73/13/41/1066731341.db2.gz TYABZMDGACKQEA-QHCPKHFHSA-N 0 0 468.614 4.953 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)NC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC001446701548 1066731856 /nfs/dbraw/zinc/73/18/56/1066731856.db2.gz QLDHXCCZTSHYCZ-DEOSSOPVSA-N 0 0 458.628 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC([C@H]3CCOC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446697564 1066731937 /nfs/dbraw/zinc/73/19/37/1066731937.db2.gz LSTWTFWMYSBVTJ-NNWRFLSQSA-N 0 0 463.018 4.566 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCOC(F)F)CCO2)n1 ZINC001492640671 1066732367 /nfs/dbraw/zinc/73/23/67/1066732367.db2.gz AMLCTXYVZCQRJQ-CRAIPNDOSA-N 0 0 497.543 4.529 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4C)CC3)[nH]n2)c1C ZINC001456972087 1066732887 /nfs/dbraw/zinc/73/28/87/1066732887.db2.gz JTOSZEIPUAAXTC-UHFFFAOYSA-N 0 0 455.006 4.614 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cnc2ccsc2c1 ZINC001446710004 1066732866 /nfs/dbraw/zinc/73/28/66/1066732866.db2.gz MISZFEITWALAQY-UHFFFAOYSA-N 0 0 459.936 4.708 20 0 JJADRN CC(C)(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)nc1 ZINC001446709124 1066732934 /nfs/dbraw/zinc/73/29/34/1066732934.db2.gz JEWVQOHSIWGVIR-UHFFFAOYSA-N 0 0 459.955 4.791 20 0 JJADRN CC(=O)c1ccc(CCNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 ZINC001446711856 1066733080 /nfs/dbraw/zinc/73/30/80/1066733080.db2.gz NRLXNSXLZUGXBT-UHFFFAOYSA-N 0 0 452.620 4.650 20 0 JJADRN Cc1c(C(=O)Nc2cc(F)c(F)cc2I)cnn1-c1ccccc1C ZINC001456975898 1066733422 /nfs/dbraw/zinc/73/34/22/1066733422.db2.gz OKLGKZQGIMXCBC-UHFFFAOYSA-N 0 0 453.230 4.624 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccccc4)n3CCN(C)CC(F)(F)F)C2)n1 ZINC001492641139 1066733777 /nfs/dbraw/zinc/73/37/77/1066733777.db2.gz CETBGUAQXWWCGF-GOSISDBHSA-N 0 0 464.561 4.588 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)c3ccccc3F)C2)n1 ZINC001492641156 1066733908 /nfs/dbraw/zinc/73/39/08/1066733908.db2.gz CHGLGDOBGKRIJD-SFHVURJKSA-N 0 0 484.645 4.682 20 0 JJADRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC001456977657 1066733892 /nfs/dbraw/zinc/73/38/92/1066733892.db2.gz KJFPQRBQYNXRAI-AUSIDOKSSA-N 0 0 458.624 4.559 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@](C)(O)CCC(C)C)CCO2)n1 ZINC001492641272 1066734279 /nfs/dbraw/zinc/73/42/79/1066734279.db2.gz KPRBACGNXKMVMP-PXDATVDWSA-N 0 0 487.645 4.538 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)C)CCO2)n1 ZINC001492641444 1066734352 /nfs/dbraw/zinc/73/43/52/1066734352.db2.gz LQSVZORZZMEZTI-GOSISDBHSA-N 0 0 465.982 4.505 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC001456978983 1066734384 /nfs/dbraw/zinc/73/43/84/1066734384.db2.gz PRUYZKQYSCYTCC-LIRRHRJNSA-N 0 0 455.967 4.608 20 0 JJADRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC001456978957 1066734470 /nfs/dbraw/zinc/73/44/70/1066734470.db2.gz PRUYZKQYSCYTCC-IFXJQAMLSA-N 0 0 455.967 4.608 20 0 JJADRN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C(=O)N1c1ccccc1 ZINC001456977427 1066734527 /nfs/dbraw/zinc/73/45/27/1066734527.db2.gz NYGIPXXBLVVGOZ-KDOFPFPSSA-N 0 0 455.530 4.676 20 0 JJADRN COc1ccccc1[C@H](CO)NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001446732590 1066734724 /nfs/dbraw/zinc/73/47/24/1066734724.db2.gz KZCAUGYLSPYSHM-FQEVSTJZSA-N 0 0 456.336 4.500 20 0 JJADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC001545988782 1066734777 /nfs/dbraw/zinc/73/47/77/1066734777.db2.gz SYYAAVQSEULSBU-AEUZFIIDSA-N 0 0 453.945 4.725 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCNC(=O)C(C)C)C2)n1 ZINC001492641730 1066734882 /nfs/dbraw/zinc/73/48/82/1066734882.db2.gz JBFZXLYGQBZFCG-KRWDZBQOSA-N 0 0 473.046 4.520 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)n1 ZINC001492641764 1066735524 /nfs/dbraw/zinc/73/55/24/1066735524.db2.gz JGFBDXCWCQHWSG-MNAQKMTRSA-N 0 0 471.696 4.552 20 0 JJADRN Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)n1 ZINC001492642577 1066736334 /nfs/dbraw/zinc/73/63/34/1066736334.db2.gz QUZLHASTIHVYKQ-YXJHDRRASA-N 0 0 460.673 4.858 20 0 JJADRN O=C(Nc1ccc(F)cc1Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001446756202 1066736393 /nfs/dbraw/zinc/73/63/93/1066736393.db2.gz IOSXBNCSJKMCGY-QGZVFWFLSA-N 0 0 453.464 4.877 20 0 JJADRN CC(C)c1c(C(=O)N2CC[C@H](COc3ccccc3)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001446754721 1066736477 /nfs/dbraw/zinc/73/64/77/1066736477.db2.gz OLKKSVSBFUILKW-KRWDZBQOSA-N 0 0 458.484 4.951 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCCOC(C)C)C2)n1 ZINC001492642669 1066736790 /nfs/dbraw/zinc/73/67/90/1066736790.db2.gz RUOPICYEEYXRRW-FQEVSTJZSA-N 0 0 457.619 4.972 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCSCCCO)C2)n1 ZINC001492642843 1066736871 /nfs/dbraw/zinc/73/68/71/1066736871.db2.gz TVYWOALBBSOIRH-GOSISDBHSA-N 0 0 478.087 4.863 20 0 JJADRN Cc1csc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4)n3CCSCCCO)C2)n1 ZINC001492642844 1066736938 /nfs/dbraw/zinc/73/69/38/1066736938.db2.gz TVYWOALBBSOIRH-SFHVURJKSA-N 0 0 478.087 4.863 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C(F)(F)F)cs3)CCO2)n1 ZINC001492642673 1066736952 /nfs/dbraw/zinc/73/69/52/1066736952.db2.gz YIBFWHYMXBQQTO-CYBMUJFWSA-N 0 0 486.589 4.733 20 0 JJADRN Cc1csc(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492643661 1066737488 /nfs/dbraw/zinc/73/74/88/1066737488.db2.gz ADDPTSAUQSEOPB-GOSISDBHSA-N 0 0 493.475 4.685 20 0 JJADRN O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)N1CC=C(c2cccc3ccccc32)C1 ZINC001446774400 1066737416 /nfs/dbraw/zinc/73/74/16/1066737416.db2.gz ZMNAFNMCNZNPIF-UHFFFAOYSA-N 0 0 459.489 4.644 20 0 JJADRN Cc1cc(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc(C)c1OCC(=O)N1CCCCC1 ZINC001456991155 1066737555 /nfs/dbraw/zinc/73/75/55/1066737555.db2.gz PYGMGGZDDHZHJU-SFHVURJKSA-N 0 0 456.970 4.776 20 0 JJADRN Cc1csc([C@@H]2CCCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCCC(C)C)C2)n1 ZINC001492642988 1066737883 /nfs/dbraw/zinc/73/78/83/1066737883.db2.gz WWWVLVSSCYQEON-HXUWFJFHSA-N 0 0 487.695 4.934 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)N(C)C1CCC1 ZINC001456998063 1066738430 /nfs/dbraw/zinc/73/84/30/1066738430.db2.gz AFYJIGRPFHKZAB-UHFFFAOYSA-N 0 0 454.333 4.538 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)COC)CCO1 ZINC001546086072 1066738607 /nfs/dbraw/zinc/73/86/07/1066738607.db2.gz YLTZPMAYFCYVLV-XOBRGWDASA-N 0 0 471.827 4.649 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCCC2)CCO1 ZINC001546086086 1066738625 /nfs/dbraw/zinc/73/86/25/1066738625.db2.gz YPYAHYYUBVXASC-QFIPXVFZSA-N 0 0 477.447 4.798 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCC(F)(F)F)CCO1 ZINC001546086099 1066738635 /nfs/dbraw/zinc/73/86/35/1066738635.db2.gz YVTZNEPWYUEELM-IBGZPJMESA-N 0 0 480.503 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC001456999503 1066739100 /nfs/dbraw/zinc/73/91/00/1066739100.db2.gz JMXDATAVRMHJOZ-LJQANCHMSA-N 0 0 454.390 4.608 20 0 JJADRN Cc1csc(CCCCn2c(CC(C)C)nnc2N2CCCN(C(=O)c3ccsc3)CC2)n1 ZINC001492643316 1066739222 /nfs/dbraw/zinc/73/92/22/1066739222.db2.gz FQHULYOEBMUAPP-UHFFFAOYSA-N 0 0 486.711 4.678 20 0 JJADRN C[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)Oc1cccc(F)c1 ZINC001457005606 1066739540 /nfs/dbraw/zinc/73/95/40/1066739540.db2.gz DXDDRGHPLZRQPM-ZDUSSCGKSA-N 0 0 455.839 4.940 20 0 JJADRN O=C(Cn1cccc(C(F)(F)F)c1=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001457005979 1066739558 /nfs/dbraw/zinc/73/95/58/1066739558.db2.gz HFDWCBZDFQUKNQ-UHFFFAOYSA-N 0 0 450.457 4.832 20 0 JJADRN CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c2ccccc2O1 ZINC001457005978 1066739586 /nfs/dbraw/zinc/73/95/86/1066739586.db2.gz TXDYBGBDOIBXGY-NRFANRHFSA-N 0 0 450.560 4.638 20 0 JJADRN CC(C)(C)[C@@H]1CCc2nc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2C1 ZINC001446789048 1066739587 /nfs/dbraw/zinc/73/95/87/1066739587.db2.gz DNLQLUBVIYLVTG-CYBMUJFWSA-N 0 0 453.029 4.893 20 0 JJADRN Cc1csc(CCCCn2c(C3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC001492643608 1066739830 /nfs/dbraw/zinc/73/98/30/1066739830.db2.gz NZKNLBFCALEZSF-UHFFFAOYSA-N 0 0 474.675 4.684 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2cc(C(=O)c3cccc4ccccc43)cn2C)cc1OC ZINC001457006493 1066740127 /nfs/dbraw/zinc/74/01/27/1066740127.db2.gz CAXBJENXKYTZQT-SFHVURJKSA-N 0 0 456.542 4.788 20 0 JJADRN Cc1csc(CCCCn2c(C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC001492643799 1066740198 /nfs/dbraw/zinc/74/01/98/1066740198.db2.gz DDUXXBKYHFQWTD-KRWDZBQOSA-N 0 0 460.673 4.706 20 0 JJADRN Cc1csc(CCCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC001492643613 1066740274 /nfs/dbraw/zinc/74/02/74/1066740274.db2.gz ODACRRJOLFDGDY-ZWKOTPCHSA-N 0 0 487.592 4.508 20 0 JJADRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001457008797 1066740554 /nfs/dbraw/zinc/74/05/54/1066740554.db2.gz JPJPTCGEBCPVSN-PKTZIBPZSA-N 0 0 453.652 4.726 20 0 JJADRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001446792089 1066740698 /nfs/dbraw/zinc/74/06/98/1066740698.db2.gz KBNLSEIPRGBDMN-KGLIPLIRSA-N 0 0 453.377 4.564 20 0 JJADRN Cc1csc(CCCCn2c(CC3CC3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC001492644088 1066740999 /nfs/dbraw/zinc/74/09/99/1066740999.db2.gz XJDQSHZCDJMRLK-UHFFFAOYSA-N 0 0 488.702 4.760 20 0 JJADRN O=C(Cc1c[nH]c2cnc(Cl)cc12)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001446796180 1066741043 /nfs/dbraw/zinc/74/10/43/1066741043.db2.gz NZNMGCAXONQRHY-UHFFFAOYSA-N 0 0 451.785 4.846 20 0 JJADRN COC(C)(C)C[C@@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 ZINC001457010814 1066741034 /nfs/dbraw/zinc/74/10/34/1066741034.db2.gz PROZLTJUOZNEID-GOSISDBHSA-N 0 0 458.624 4.740 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CCC(C)C)CCO2)n1 ZINC001492644054 1066741194 /nfs/dbraw/zinc/74/11/94/1066741194.db2.gz GKVTULMSUHVQKL-RBUKOAKNSA-N 0 0 490.674 4.739 20 0 JJADRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC001446798665 1066741144 /nfs/dbraw/zinc/74/11/44/1066741144.db2.gz BXHCLKDDPUMICO-LLVKDONJSA-N 0 0 456.167 4.632 20 0 JJADRN Cc1csc(CCCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)n1 ZINC001492644045 1066741243 /nfs/dbraw/zinc/74/12/43/1066741243.db2.gz GHPZGULYTDDNFP-UHFFFAOYSA-N 0 0 496.588 4.578 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cc(OC)nc2ccccc12 ZINC001457013035 1066742178 /nfs/dbraw/zinc/74/21/78/1066742178.db2.gz SPUTYLFLRUPQNM-QGZVFWFLSA-N 0 0 457.368 4.518 20 0 JJADRN COc1ccc(C[C@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1OC ZINC001457013441 1066742249 /nfs/dbraw/zinc/74/22/49/1066742249.db2.gz VJVRZMVJOBNLOQ-INIZCTEOSA-N 0 0 452.599 4.996 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1OC ZINC001457012927 1066742314 /nfs/dbraw/zinc/74/23/14/1066742314.db2.gz SVUHYCGTHIHBBI-OAHLLOKOSA-N 0 0 456.539 4.826 20 0 JJADRN Cc1csc([C@H]2CN(c3nnc(COc4ccccc4F)n3CCCC(C)C)CCO2)n1 ZINC001492644423 1066742235 /nfs/dbraw/zinc/74/22/35/1066742235.db2.gz NZNMYKZQWFOZOY-HXUWFJFHSA-N 0 0 459.591 4.775 20 0 JJADRN Cc1csc(CCCCn2c(-c3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)n1 ZINC001492644388 1066742256 /nfs/dbraw/zinc/74/22/56/1066742256.db2.gz MDGVSNACCRVZLA-UHFFFAOYSA-N 0 0 454.644 4.912 20 0 JJADRN COc1ccc(C[C@@H](C)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC001457013323 1066742379 /nfs/dbraw/zinc/74/23/79/1066742379.db2.gz UTABBTJAIWHSFP-WIYYLYMNSA-N 0 0 456.583 4.797 20 0 JJADRN Cc1csc(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492644714 1066743275 /nfs/dbraw/zinc/74/32/75/1066743275.db2.gz XLWRFPZEGHYHLA-FQEVSTJZSA-N 0 0 484.695 4.877 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(Cl)c1Cl ZINC001457015421 1066743348 /nfs/dbraw/zinc/74/33/48/1066743348.db2.gz KJSCHIVYPWJAKL-YZGWKJHDSA-N 0 0 465.377 4.676 20 0 JJADRN Cc1ccncc1[C@H](C)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001446810319 1066743343 /nfs/dbraw/zinc/74/33/43/1066743343.db2.gz RZTGHRQXKDRKTC-INIZCTEOSA-N 0 0 452.352 4.825 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001446809789 1066743432 /nfs/dbraw/zinc/74/34/32/1066743432.db2.gz LAPAFYLSAKWLLW-IBGZPJMESA-N 0 0 457.537 4.828 20 0 JJADRN COc1ccc([C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)c(Br)c1 ZINC001446814534 1066743867 /nfs/dbraw/zinc/74/38/67/1066743867.db2.gz QHEKSUMDAILWPW-KDOFPFPSSA-N 0 0 457.409 4.917 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c3ccccc3)ccc21 ZINC001446813137 1066744134 /nfs/dbraw/zinc/74/41/34/1066744134.db2.gz LDEMIWDPUDMYTB-AREMUKBSSA-N 0 0 451.567 4.754 20 0 JJADRN COC(=O)c1cc2nc(NC(=O)c3ccc(OC)c4ccccc34)[nH]c2c(Br)c1 ZINC001457016814 1066744031 /nfs/dbraw/zinc/74/40/31/1066744031.db2.gz OOWKWTFKJQDOKJ-UHFFFAOYSA-N 0 0 454.280 4.526 20 0 JJADRN Cc1csc(CN(C)c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC001492645004 1066744303 /nfs/dbraw/zinc/74/43/03/1066744303.db2.gz HTLKBUGXMDHORJ-NRFANRHFSA-N 0 0 467.639 4.748 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)c1 ZINC001492645048 1066744888 /nfs/dbraw/zinc/74/48/88/1066744888.db2.gz JJJBUVVQDSLOGL-INIZCTEOSA-N 0 0 474.030 4.604 20 0 JJADRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC001457019515 1066744974 /nfs/dbraw/zinc/74/49/74/1066744974.db2.gz MTDRPKCLOOPBHH-UXHICEINSA-N 0 0 451.588 4.992 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)n[nH]1 ZINC001446824912 1066744861 /nfs/dbraw/zinc/74/48/61/1066744861.db2.gz AATGPVWBWIFULK-DUXKGJEZSA-N 0 0 454.571 4.518 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)n[nH]1 ZINC001446824930 1066744960 /nfs/dbraw/zinc/74/49/60/1066744960.db2.gz AATGPVWBWIFULK-QMMLZNLJSA-N 0 0 454.571 4.518 20 0 JJADRN CCn1c(SCC(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)nnc1-c1cccs1 ZINC001446824418 1066745108 /nfs/dbraw/zinc/74/51/08/1066745108.db2.gz GFHFCNQSPQRQLJ-UHFFFAOYSA-N 0 0 459.988 4.504 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)n[nH]1 ZINC001446824940 1066745121 /nfs/dbraw/zinc/74/51/21/1066745121.db2.gz AATGPVWBWIFULK-UIFIKXQLSA-N 0 0 454.571 4.518 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(Br)c3nccn3c2)cc1 ZINC001457021150 1066745555 /nfs/dbraw/zinc/74/55/55/1066745555.db2.gz RAXRBDOOBBWTTM-CYBMUJFWSA-N 0 0 459.344 4.935 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)n[nH]1 ZINC001446827351 1066745689 /nfs/dbraw/zinc/74/56/89/1066745689.db2.gz HZCAGSFSFBDSHF-UHFFFAOYSA-N 0 0 450.539 4.883 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2ncn(C)n2)c1 ZINC001492645548 1066746434 /nfs/dbraw/zinc/74/64/34/1066746434.db2.gz ZSQKDLUBSCQCKP-QGZVFWFLSA-N 0 0 486.045 4.871 20 0 JJADRN COc1ccccc1CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457023898 1066746465 /nfs/dbraw/zinc/74/64/65/1066746465.db2.gz BZVYKBFSOJLMTK-DEOSSOPVSA-N 0 0 457.979 4.591 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCCC2)c1 ZINC001492645557 1066746474 /nfs/dbraw/zinc/74/64/74/1066746474.db2.gz ZYUHYZIHFUVZOW-KRWDZBQOSA-N 0 0 471.602 4.609 20 0 JJADRN O=C(Nc1ccc(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)cc1)c1ccc(Br)o1 ZINC001546086277 1066746555 /nfs/dbraw/zinc/74/65/55/1066746555.db2.gz FFRUITXVEWQHKX-UHFFFAOYSA-N 0 0 457.309 4.712 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(Br)cc3)n2CC2([S@](C)=O)CC2)c1 ZINC001492645679 1066746985 /nfs/dbraw/zinc/74/69/85/1066746985.db2.gz FHOKBIMIXMHPEM-NDEPHWFRSA-N 0 0 479.469 4.625 20 0 JJADRN CC(C)[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCO1 ZINC001446846133 1066747273 /nfs/dbraw/zinc/74/72/73/1066747273.db2.gz FRESOQNLBFABKY-INIZCTEOSA-N 0 0 450.486 4.512 20 0 JJADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001446845076 1066747318 /nfs/dbraw/zinc/74/73/18/1066747318.db2.gz HTWSOIOFVOZXLY-QFIPXVFZSA-N 0 0 458.599 4.649 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCC2)c1 ZINC001492645781 1066747395 /nfs/dbraw/zinc/74/73/95/1066747395.db2.gz IZMKWLXVJJFLNA-UHFFFAOYSA-N 0 0 465.392 4.768 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001492645838 1066747401 /nfs/dbraw/zinc/74/74/01/1066747401.db2.gz KZRJLIYAPVHOHC-UHFFFAOYSA-N 0 0 499.662 4.689 20 0 JJADRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001457026997 1066747545 /nfs/dbraw/zinc/74/75/45/1066747545.db2.gz GNQOXEYZYHDXJI-OZXSUGGESA-N 0 0 451.607 4.881 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)c1 ZINC001492645802 1066747592 /nfs/dbraw/zinc/74/75/92/1066747592.db2.gz JLSPJUQAPKCVSQ-XDHUDOTRSA-N 0 0 473.643 4.734 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC001457028298 1066747871 /nfs/dbraw/zinc/74/78/71/1066747871.db2.gz IRTQIECGZUIMFP-GOSISDBHSA-N 0 0 452.580 4.682 20 0 JJADRN CCOC(=O)[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1C)c1ccc(OC)c(Br)c1 ZINC001446846784 1066747924 /nfs/dbraw/zinc/74/79/24/1066747924.db2.gz SDPSDXRIGFZSRU-FQEVSTJZSA-N 0 0 459.340 4.590 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)c1 ZINC001492645925 1066748075 /nfs/dbraw/zinc/74/80/75/1066748075.db2.gz OHZRIZBDXZHUIM-HSZRJFAPSA-N 0 0 453.999 4.908 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001446848364 1066748275 /nfs/dbraw/zinc/74/82/75/1066748275.db2.gz MWOIOSKVJSAJPK-GOSISDBHSA-N 0 0 450.645 4.810 20 0 JJADRN C[C@](O)(C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(F)c(Br)c1 ZINC001446848588 1066748360 /nfs/dbraw/zinc/74/83/60/1066748360.db2.gz MBIYOKKRXHMPEQ-OAQYLSRUSA-N 0 0 456.271 4.638 20 0 JJADRN Cc1cccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)CC2)c1 ZINC001446848575 1066748457 /nfs/dbraw/zinc/74/84/57/1066748457.db2.gz LNXYEOOIEZUPEE-UHFFFAOYSA-N 0 0 450.535 4.864 20 0 JJADRN CCc1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC001457030061 1066748571 /nfs/dbraw/zinc/74/85/71/1066748571.db2.gz QURDBGXLYLKPQL-XMMPIXPASA-N 0 0 457.979 4.591 20 0 JJADRN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)CC2 ZINC001446854554 1066748776 /nfs/dbraw/zinc/74/87/76/1066748776.db2.gz HBOFECULMPMJGW-MSOLQXFVSA-N 0 0 451.405 4.582 20 0 JJADRN CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(F)c1 ZINC001457031642 1066749069 /nfs/dbraw/zinc/74/90/69/1066749069.db2.gz UNULOPMYPXYQES-QFIPXVFZSA-N 0 0 459.926 4.605 20 0 JJADRN CCOc1cc(C(=O)N2CCCCC[C@H]2c2ncon2)ccc1OCCOc1ccccc1 ZINC001546086308 1066749577 /nfs/dbraw/zinc/74/95/77/1066749577.db2.gz GMRCANQFMZWITN-NRFANRHFSA-N 0 0 451.523 4.684 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCSCCCO)c1 ZINC001492646189 1066749597 /nfs/dbraw/zinc/74/95/97/1066749597.db2.gz YTYACEJYBIZIAI-UHFFFAOYSA-N 0 0 481.485 4.830 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(C)cc(Br)c1N ZINC001446865267 1066749908 /nfs/dbraw/zinc/74/99/08/1066749908.db2.gz BWWGFWSNUKBBHD-GTNSWQLSSA-N 0 0 456.178 4.608 20 0 JJADRN CCc1cnccc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446870499 1066749946 /nfs/dbraw/zinc/74/99/46/1066749946.db2.gz RDANNCRHAALEFT-INIZCTEOSA-N 0 0 457.983 4.898 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)c1 ZINC001492646836 1066750385 /nfs/dbraw/zinc/75/03/85/1066750385.db2.gz SYICYWPYUVPKJS-AVRWGWEMSA-N 0 0 489.686 4.560 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCC3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001492646881 1066750449 /nfs/dbraw/zinc/75/04/49/1066750449.db2.gz UUQGNAOSKICVBO-UHFFFAOYSA-N 0 0 451.518 4.936 20 0 JJADRN Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Br)cc(OC(C)C)c2)cc1 ZINC001457041682 1066750451 /nfs/dbraw/zinc/75/04/51/1066750451.db2.gz UFPSVWOWKFAEEF-UHFFFAOYSA-N 0 0 451.386 4.855 20 0 JJADRN Cc1csc(CN(C)c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCC(F)F)c1 ZINC001492647042 1066750531 /nfs/dbraw/zinc/75/05/31/1066750531.db2.gz WGXWRJNDWPBHQN-UHFFFAOYSA-N 0 0 470.549 4.742 20 0 JJADRN CCc1cnccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446870502 1066750471 /nfs/dbraw/zinc/75/04/71/1066750471.db2.gz RDANNCRHAALEFT-MRXNPFEDSA-N 0 0 457.983 4.898 20 0 JJADRN COC(=O)c1ccc2c(c1)OCCN(C(=O)COc1ccc(-c3ccccc3)cc1Cl)C2 ZINC001457040828 1066750617 /nfs/dbraw/zinc/75/06/17/1066750617.db2.gz UQQJVXMWICOAEA-UHFFFAOYSA-N 0 0 451.906 4.594 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2Cc2ccccc2OC(F)F)c1 ZINC001492647163 1066750965 /nfs/dbraw/zinc/75/09/65/1066750965.db2.gz GIVSPCINNVDVCZ-UHFFFAOYSA-N 0 0 455.534 4.920 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001446874324 1066751016 /nfs/dbraw/zinc/75/10/16/1066751016.db2.gz AXORYPWVEWTUGK-WOJBJXKFSA-N 0 0 450.501 4.802 20 0 JJADRN O=C(Cc1cc(Cl)cc(Cl)c1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001457042600 1066751109 /nfs/dbraw/zinc/75/11/09/1066751109.db2.gz GDKWPVNFITWIHK-UHFFFAOYSA-N 0 0 457.077 4.556 20 0 JJADRN Cc1csc(CN(C)c2nnc(C3CCCC3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001492647081 1066751098 /nfs/dbraw/zinc/75/10/98/1066751098.db2.gz WYFIVDZNYFPGLW-UHFFFAOYSA-N 0 0 450.534 4.994 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 ZINC001446874529 1066751408 /nfs/dbraw/zinc/75/14/08/1066751408.db2.gz BYVJLQPXZAFTNJ-VGSWGCGISA-N 0 0 459.612 4.713 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)c1 ZINC001492647203 1066751410 /nfs/dbraw/zinc/75/14/10/1066751410.db2.gz GVICHRQVCYMARJ-UHFFFAOYSA-N 0 0 469.611 4.506 20 0 JJADRN CCO[C@H]1C[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)C1(CC)CC ZINC001457054291 1066751697 /nfs/dbraw/zinc/75/16/97/1066751697.db2.gz RHFKUGCZZPDTEB-ROUUACIJSA-N 0 0 451.036 4.811 20 0 JJADRN COc1ccc(CN(C(=O)c2c(C)[nH]nc2Br)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001446877917 1066751701 /nfs/dbraw/zinc/75/17/01/1066751701.db2.gz IACQQHBJDFDQLG-BBRMVZONSA-N 0 0 450.377 4.719 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1(C)C ZINC001446877938 1066751882 /nfs/dbraw/zinc/75/18/82/1066751882.db2.gz IDEFJIACKHIFKK-QIIPPGSGSA-N 0 0 456.414 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1(C)C ZINC001446877931 1066751903 /nfs/dbraw/zinc/75/19/03/1066751903.db2.gz IDEFJIACKHIFKK-DDUZABMNSA-N 0 0 456.414 4.628 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC2CCCCC2)c1 ZINC001492647656 1066751986 /nfs/dbraw/zinc/75/19/86/1066751986.db2.gz SDLPCENUYOUSPZ-UHFFFAOYSA-N 0 0 473.593 4.602 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(=O)N(C)Cc2ccccc2)c1 ZINC001492647619 1066752011 /nfs/dbraw/zinc/75/20/11/1066752011.db2.gz RBMCEUHDNNFQPV-UHFFFAOYSA-N 0 0 465.648 4.595 20 0 JJADRN COc1c(Br)ccc(F)c1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001457057291 1066752048 /nfs/dbraw/zinc/75/20/48/1066752048.db2.gz CBMSVWLFFVIUQO-UHFFFAOYSA-N 0 0 459.356 4.505 20 0 JJADRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(Br)ccc1I ZINC001457059277 1066752057 /nfs/dbraw/zinc/75/20/57/1066752057.db2.gz DNSXROFDNPSQIE-RDJZCZTQSA-N 0 0 456.121 4.514 20 0 JJADRN C[C@H](Cc1cccnc1)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 ZINC001457059255 1066752091 /nfs/dbraw/zinc/75/20/91/1066752091.db2.gz RGEVTMRWMXQOKQ-CQSZACIVSA-N 0 0 456.315 4.597 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001446878701 1066752329 /nfs/dbraw/zinc/75/23/29/1066752329.db2.gz KXRCBKVOJJCKDY-INIZCTEOSA-N 0 0 458.345 4.687 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)c1 ZINC001492647777 1066752395 /nfs/dbraw/zinc/75/23/95/1066752395.db2.gz WNNLMFQEQJHNNK-IBGZPJMESA-N 0 0 489.667 4.703 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)c1 ZINC001492647733 1066752499 /nfs/dbraw/zinc/75/24/99/1066752499.db2.gz VIAXQZDXSGXLCT-MRXNPFEDSA-N 0 0 480.560 4.704 20 0 JJADRN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001492647748 1066752557 /nfs/dbraw/zinc/75/25/57/1066752557.db2.gz VQPRXBCEIZNXJB-QGZVFWFLSA-N 0 0 469.602 4.821 20 0 JJADRN O=C(Cc1ccc(I)cc1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC001457060326 1066752649 /nfs/dbraw/zinc/75/26/49/1066752649.db2.gz MRJWTHFVEANYOH-OAQYLSRUSA-N 0 0 455.339 4.976 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C1(CC)CC ZINC001457059671 1066752705 /nfs/dbraw/zinc/75/27/05/1066752705.db2.gz ZAUHPPOMEJNVGO-QWHCGFSZSA-N 0 0 453.723 4.797 20 0 JJADRN Cc1ccc(OCc2cccc(C(=O)N(C)C3CCC(NC(=O)OC(C)(C)C)CC3)c2)cn1 ZINC001457061931 1066753031 /nfs/dbraw/zinc/75/30/31/1066753031.db2.gz KASZDPVNIRNIOA-UHFFFAOYSA-N 0 0 453.583 4.877 20 0 JJADRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001457061694 1066753126 /nfs/dbraw/zinc/75/31/26/1066753126.db2.gz CGHKCMXNWFNICL-RPBOFIJWSA-N 0 0 451.588 4.770 20 0 JJADRN Cc1ccc([C@H](NC(=O)CCCCC(=O)OC(C)(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457062038 1066753160 /nfs/dbraw/zinc/75/31/60/1066753160.db2.gz CWUQBSCJVVCWSN-DEOSSOPVSA-N 0 0 459.608 4.506 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc(F)c(Br)cc3F)C2)CC1 ZINC001446884151 1066753383 /nfs/dbraw/zinc/75/33/83/1066753383.db2.gz WMWGWJIIBPCSIM-UHFFFAOYSA-N 0 0 459.331 4.591 20 0 JJADRN Cc1csc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C(C)C)c1 ZINC001492648213 1066753514 /nfs/dbraw/zinc/75/35/14/1066753514.db2.gz NDXRZRIPMVVDIW-YADARESESA-N 0 0 477.675 4.763 20 0 JJADRN CCN(CC)c1ccc2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c(=O)oc2c1 ZINC001457064558 1066753561 /nfs/dbraw/zinc/75/35/61/1066753561.db2.gz FRVZQUAQWSVZOJ-UHFFFAOYSA-N 0 0 450.926 4.790 20 0 JJADRN Cc1nc(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)nn1-c1ccccc1C(C)C ZINC001457065271 1066753595 /nfs/dbraw/zinc/75/35/95/1066753595.db2.gz OMIDPOAJKDJJRR-UHFFFAOYSA-N 0 0 455.603 4.607 20 0 JJADRN O=C(c1cc(I)c(Cl)cc1Cl)N1CCC[C@@H]1C1CCOCC1 ZINC001446886553 1066753765 /nfs/dbraw/zinc/75/37/65/1066753765.db2.gz IPCJZCKPVUBCMM-OAHLLOKOSA-N 0 0 454.135 4.629 20 0 JJADRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886829 1066753792 /nfs/dbraw/zinc/75/37/92/1066753792.db2.gz YAKBZUXWVCAVQI-KSSFIOAISA-N 0 0 451.386 4.653 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)Cc3ccncc3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001457067747 1066754097 /nfs/dbraw/zinc/75/40/97/1066754097.db2.gz JJEPJWISTCSOPW-FBQMUFCQSA-N 0 0 457.574 4.630 20 0 JJADRN Cc1ccc2occ(CC(=O)N[C@H](c3ccc(F)cc3)c3cccc(S(C)(=O)=O)c3)c2c1 ZINC001457069527 1066754230 /nfs/dbraw/zinc/75/42/30/1066754230.db2.gz WMCWXTLIIVYULA-RUZDIDTESA-N 0 0 451.519 4.732 20 0 JJADRN COCC1(C)CCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 ZINC001446897277 1066754220 /nfs/dbraw/zinc/75/42/20/1066754220.db2.gz LQBGKCGPFKNDJK-UHFFFAOYSA-N 0 0 454.368 4.948 20 0 JJADRN Cc1cc(NC(=O)COc2cccc(N3CCCC3=O)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001446887640 1066754273 /nfs/dbraw/zinc/75/42/73/1066754273.db2.gz YJMGPIKFWKKACJ-UHFFFAOYSA-N 0 0 459.333 4.632 20 0 JJADRN CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)OC ZINC001545990551 1066754809 /nfs/dbraw/zinc/75/48/09/1066754809.db2.gz UQCBKHZLBKHVQA-UXHICEINSA-N 0 0 497.631 4.689 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CC2CC(F)C2)n1 ZINC001492648739 1066755002 /nfs/dbraw/zinc/75/50/02/1066755002.db2.gz HESZGZGFHJKTRE-UHFFFAOYSA-N 0 0 450.381 4.705 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)CC(C)(C)C2)n1 ZINC001492648774 1066755051 /nfs/dbraw/zinc/75/50/51/1066755051.db2.gz HYTDDDLANDOURD-CYBMUJFWSA-N 0 0 463.449 4.732 20 0 JJADRN Cc1csc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492648791 1066755089 /nfs/dbraw/zinc/75/50/89/1066755089.db2.gz IIXNJLANAVBPSR-NSHDSACASA-N 0 0 475.338 4.628 20 0 JJADRN CCc1ccc([C@H](NC(=O)CCCOc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457072298 1066755327 /nfs/dbraw/zinc/75/53/27/1066755327.db2.gz KPGIZWMVEPPDMT-SANMLTNESA-N 0 0 451.588 4.717 20 0 JJADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001457072949 1066755351 /nfs/dbraw/zinc/75/53/51/1066755351.db2.gz WEIJMHZWZDBNAU-FQEVSTJZSA-N 0 0 454.368 4.886 20 0 JJADRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(I)c(C)cc1C)CC3 ZINC001446906487 1066755205 /nfs/dbraw/zinc/75/52/05/1066755205.db2.gz VYXBJUYJQIDWNM-OAHLLOKOSA-N 0 0 458.343 4.985 20 0 JJADRN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCO[C@H](C)C2)cc1 ZINC001446906030 1066755405 /nfs/dbraw/zinc/75/54/05/1066755405.db2.gz DJLUZKNLZJFCHG-MOPGFXCFSA-N 0 0 458.624 4.638 20 0 JJADRN CC[C@@H](C(=O)Nc1nc2c(cc(Br)cc2OC)s1)N(C)C(=O)OC(C)(C)C ZINC001457070247 1066755375 /nfs/dbraw/zinc/75/53/75/1066755375.db2.gz QKEOVUACAAMFTN-NSHDSACASA-N 0 0 458.378 4.651 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CCC2CCOCC2)n1 ZINC001492648835 1066755473 /nfs/dbraw/zinc/75/54/73/1066755473.db2.gz JRRHTSKQDMCVAF-UHFFFAOYSA-N 0 0 482.473 4.835 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CCc2nccs2)n1 ZINC001492648849 1066755516 /nfs/dbraw/zinc/75/55/16/1066755516.db2.gz KEIHFFUZPKVCDS-HNNXBMFYSA-N 0 0 458.588 4.506 20 0 JJADRN Cc1csc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492648808 1066755599 /nfs/dbraw/zinc/75/55/99/1066755599.db2.gz ITEBIKHJGRNCDX-ZDUSSCGKSA-N 0 0 468.421 4.602 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C(C)C)C2)n1 ZINC001492648938 1066755617 /nfs/dbraw/zinc/75/56/17/1066755617.db2.gz MWTWLGKVJRVHMC-PZJWPPBQSA-N 0 0 455.628 4.709 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001457073899 1066755619 /nfs/dbraw/zinc/75/56/19/1066755619.db2.gz JBPRLEMTFFSYHN-LHSJRXKWSA-N 0 0 453.576 4.897 20 0 JJADRN CCC(CC)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 ZINC001457074554 1066755742 /nfs/dbraw/zinc/75/57/42/1066755742.db2.gz UTNBSYBAEFJRBZ-UHFFFAOYSA-N 0 0 456.652 4.578 20 0 JJADRN COc1ccc(F)c2[nH]c(C(=O)Nc3nc4c(cc(Br)cc4OC)s3)cc21 ZINC001457074140 1066755787 /nfs/dbraw/zinc/75/57/87/1066755787.db2.gz XQMVSNSPHXWXTI-UHFFFAOYSA-N 0 0 450.289 4.949 20 0 JJADRN C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908631 1066755813 /nfs/dbraw/zinc/75/58/13/1066755813.db2.gz KEVNEZFSGJAUSE-LSDHHAIUSA-N 0 0 452.967 4.584 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001446908376 1066755845 /nfs/dbraw/zinc/75/58/45/1066755845.db2.gz JIAACFIIWJJCJU-RDPSFJRHSA-N 0 0 457.977 4.653 20 0 JJADRN CCC[C@](C)(CO)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446912132 1066756308 /nfs/dbraw/zinc/75/63/08/1066756308.db2.gz HPORJUDSGUCMRJ-RPLLCQBOSA-N 0 0 452.595 4.607 20 0 JJADRN CC(=O)Nc1cccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC001457075901 1066756311 /nfs/dbraw/zinc/75/63/11/1066756311.db2.gz NUWFMXHRHDJVEB-VWLOTQADSA-N 0 0 450.922 4.518 20 0 JJADRN Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492649263 1066756342 /nfs/dbraw/zinc/75/63/42/1066756342.db2.gz WLGAOWSPIAQYQD-GOEBONIOSA-N 0 0 450.033 4.826 20 0 JJADRN Cc1ccc([C@@H](NC(=O)c2ccsc2C(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001457078596 1066756677 /nfs/dbraw/zinc/75/66/77/1066756677.db2.gz XQZVLKRSQWVDTI-GOSISDBHSA-N 0 0 453.507 4.998 20 0 JJADRN CC(C)(C)Cc1csc(NC(=O)CCC(=O)c2ccc(I)cc2)n1 ZINC001446916586 1066757069 /nfs/dbraw/zinc/75/70/69/1066757069.db2.gz SQPMPECFLQCCFS-UHFFFAOYSA-N 0 0 456.349 4.938 20 0 JJADRN Cc1csc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)n1 ZINC001492649572 1066757072 /nfs/dbraw/zinc/75/70/72/1066757072.db2.gz IJIXBUBUBNZWQU-IBGZPJMESA-N 0 0 455.628 4.798 20 0 JJADRN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1csc(C)n1)NC(=O)OC(C)(C)C ZINC001545990802 1066757482 /nfs/dbraw/zinc/75/74/82/1066757482.db2.gz YJJSRZDXFTXWQI-CMKODMSKSA-N 0 0 490.674 4.582 20 0 JJADRN COC(=O)c1cc(-c2ccccc2CNC(=O)c2cc3ccccc3cc2OC(F)F)[nH]n1 ZINC001446928487 1066757654 /nfs/dbraw/zinc/75/76/54/1066757654.db2.gz PAONGNJDUGZVFO-UHFFFAOYSA-N 0 0 451.429 4.548 20 0 JJADRN Cc1csc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccsc2)n1 ZINC001492650611 1066757891 /nfs/dbraw/zinc/75/78/91/1066757891.db2.gz POPISAHEMGRODR-UHFFFAOYSA-N 0 0 488.683 4.904 20 0 JJADRN Cc1csc(Cn2c(CC(C)(C)C)nnc2N(CCO)Cc2ccc(Br)s2)n1 ZINC001492650762 1066757897 /nfs/dbraw/zinc/75/78/97/1066757897.db2.gz SYBZYJHFUWNFHE-UHFFFAOYSA-N 0 0 484.489 4.503 20 0 JJADRN Cc1csc(Cn2c(CC(C)(C)C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1 ZINC001492650144 1066758018 /nfs/dbraw/zinc/75/80/18/1066758018.db2.gz BMTXLXLCEVKHLE-QHCPKHFHSA-N 0 0 460.047 4.517 20 0 JJADRN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1ccc(I)cc1Cl ZINC001446947358 1066757988 /nfs/dbraw/zinc/75/79/88/1066757988.db2.gz PFRDTTPVOSHGFZ-ZDUSSCGKSA-N 0 0 455.601 4.793 20 0 JJADRN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2[C@H](O)C(F)(F)F)cc1 ZINC001446949176 1066758114 /nfs/dbraw/zinc/75/81/14/1066758114.db2.gz QJPFWAJMANMDCW-IBGZPJMESA-N 0 0 450.486 4.717 20 0 JJADRN COc1ccc([C@H](CO)N(C)C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC001446938750 1066758160 /nfs/dbraw/zinc/75/81/60/1066758160.db2.gz MJRRDBCYDIBOGM-SFHVURJKSA-N 0 0 451.375 4.860 20 0 JJADRN O=C(Nc1cccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c1)c1ccc2[nH]cnc2c1 ZINC001446945720 1066758171 /nfs/dbraw/zinc/75/81/71/1066758171.db2.gz MCXMGWRUAKIWFM-FQEVSTJZSA-N 0 0 454.408 4.663 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNC(=O)c2occc2C)CCO1 ZINC001546086917 1066758119 /nfs/dbraw/zinc/75/81/19/1066758119.db2.gz BEKDOEOXXUNTJU-NDEPHWFRSA-N 0 0 493.652 4.969 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC001546086885 1066758133 /nfs/dbraw/zinc/75/81/33/1066758133.db2.gz AOTCPDREQRMTAM-LBUQITIBSA-N 0 0 453.414 4.808 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCS[C@@H](C(C)C)C2)n1 ZINC001492651031 1066758385 /nfs/dbraw/zinc/75/83/85/1066758385.db2.gz BNJYVDVOHSYZGL-HXUWFJFHSA-N 0 0 457.669 4.865 20 0 JJADRN Cc1csc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492651317 1066758419 /nfs/dbraw/zinc/75/84/19/1066758419.db2.gz LZCMZVRDCWVIBV-HXUWFJFHSA-N 0 0 455.628 4.538 20 0 JJADRN CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001446962994 1066758781 /nfs/dbraw/zinc/75/87/81/1066758781.db2.gz OCWXBDAEYXNIMO-MRXNPFEDSA-N 0 0 455.139 4.536 20 0 JJADRN Cc1ccc(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1NC(=O)c1ccc(Br)cc1 ZINC001446964855 1066759199 /nfs/dbraw/zinc/75/91/99/1066759199.db2.gz PEEQWVVKBRSRGD-NQIIRXRSSA-N 0 0 459.384 4.633 20 0 JJADRN Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@@H](C)Cc4cccs4)c(=O)c23)cc1 ZINC001457092308 1066759703 /nfs/dbraw/zinc/75/97/03/1066759703.db2.gz GCCPISSSFRHILY-KRWDZBQOSA-N 0 0 451.617 4.880 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC=CO2)CCO1 ZINC001546086985 1066759822 /nfs/dbraw/zinc/75/98/22/1066759822.db2.gz CRSYICDJJXQJLW-GCJKJVERSA-N 0 0 461.404 4.714 20 0 JJADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccccc2NCc2ccccc2C)CCCC1 ZINC001446967173 1066759842 /nfs/dbraw/zinc/75/98/42/1066759842.db2.gz SHPFPUFMYBPIPP-UHFFFAOYSA-N 0 0 459.594 4.639 20 0 JJADRN Cc1csc(N2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CCSC(C)C)CC2)n1 ZINC001492652297 1066759917 /nfs/dbraw/zinc/75/99/17/1066759917.db2.gz RKXKRQCSBQXEJW-SFHVURJKSA-N 0 0 490.674 4.790 20 0 JJADRN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001446966132 1066759953 /nfs/dbraw/zinc/75/99/53/1066759953.db2.gz JNJWWQHENKYYCO-OALUTQOASA-N 0 0 458.546 4.626 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC=CO2)CCO1 ZINC001546086986 1066760227 /nfs/dbraw/zinc/76/02/27/1066760227.db2.gz CRSYICDJJXQJLW-PGRDOPGGSA-N 0 0 461.404 4.714 20 0 JJADRN Cc1csc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOCC(C)C)CC2)n1 ZINC001492652632 1066760259 /nfs/dbraw/zinc/76/02/59/1066760259.db2.gz XNCCWALSUOEIML-UHFFFAOYSA-N 0 0 493.052 4.892 20 0 JJADRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001446969782 1066760300 /nfs/dbraw/zinc/76/03/00/1066760300.db2.gz PIQAGAWBZZDQRX-JXXFODFXSA-N 0 0 454.995 4.684 20 0 JJADRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001446969788 1066760338 /nfs/dbraw/zinc/76/03/38/1066760338.db2.gz PIQAGAWBZZDQRX-QINHECLXSA-N 0 0 454.995 4.684 20 0 JJADRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001446969797 1066760379 /nfs/dbraw/zinc/76/03/79/1066760379.db2.gz PIQAGAWBZZDQRX-YRNRMSPPSA-N 0 0 454.995 4.684 20 0 JJADRN CC[S@](=O)(=NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC001457097150 1066760956 /nfs/dbraw/zinc/76/09/56/1066760956.db2.gz IMONTNQANCIIDS-WKRVVKTRSA-N 0 0 454.979 4.755 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC001446980506 1066761264 /nfs/dbraw/zinc/76/12/64/1066761264.db2.gz IXKNQXRHKSLQKE-VAMGGRTRSA-N 0 0 459.635 4.642 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001492653224 1066761471 /nfs/dbraw/zinc/76/14/71/1066761471.db2.gz BIRJCTAOCDELRL-ZUQCGGBESA-N 0 0 465.648 4.617 20 0 JJADRN COCCN(C(=O)C[C@@H](C)c1ccc(F)c(Br)c1)c1ccc(OC)c(OC)c1 ZINC001457099620 1066761805 /nfs/dbraw/zinc/76/18/05/1066761805.db2.gz QKVBEOOCLBGANY-CQSZACIVSA-N 0 0 454.336 4.779 20 0 JJADRN Cc1cscc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001492653821 1066762497 /nfs/dbraw/zinc/76/24/97/1066762497.db2.gz NWCIVFIEWRYVGZ-ICSRJNTNSA-N 0 0 475.659 4.679 20 0 JJADRN Cc1cscc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001492653933 1066762869 /nfs/dbraw/zinc/76/28/69/1066762869.db2.gz ISGNHUQCRLHJBN-HXUWFJFHSA-N 0 0 458.031 4.758 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001446990223 1066763008 /nfs/dbraw/zinc/76/30/08/1066763008.db2.gz LFRMOBLHCLQNQR-CVEARBPZSA-N 0 0 458.580 4.656 20 0 JJADRN Cc1cscc1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001492654553 1066763782 /nfs/dbraw/zinc/76/37/82/1066763782.db2.gz WPNCGSTWCWAFAU-CQSZACIVSA-N 0 0 483.947 4.522 20 0 JJADRN Cc1cscc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492654500 1066763806 /nfs/dbraw/zinc/76/38/06/1066763806.db2.gz VNFNQDGIRBKQCJ-UHFFFAOYSA-N 0 0 464.492 4.891 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(F)F)CCO1 ZINC001546087329 1066763993 /nfs/dbraw/zinc/76/39/93/1066763993.db2.gz KGNWRVSMQIQUQA-QFIPXVFZSA-N 0 0 463.916 4.649 20 0 JJADRN Cc1cc(NC(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)nn1-c1cccc(Cl)c1 ZINC001446997415 1066763985 /nfs/dbraw/zinc/76/39/85/1066763985.db2.gz QIIZZZVYUCNOIR-UHFFFAOYSA-N 0 0 453.930 4.779 20 0 JJADRN C[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001446997056 1066764021 /nfs/dbraw/zinc/76/40/21/1066764021.db2.gz VFYRHWGYJPAOFS-KBPBESRZSA-N 0 0 453.370 4.649 20 0 JJADRN Cc1cscc1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001492654701 1066764274 /nfs/dbraw/zinc/76/42/74/1066764274.db2.gz ZIEZKKQDRHJXQB-KDOFPFPSSA-N 0 0 489.045 4.761 20 0 JJADRN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)cc1OC ZINC001457109492 1066764303 /nfs/dbraw/zinc/76/43/03/1066764303.db2.gz JQYVWWMEJSBZMN-WOJBJXKFSA-N 0 0 451.592 4.913 20 0 JJADRN Cc1nc(C)c(CCn2c(C)nnc2N(C)CCCc2cc(-c3ccc(F)cc3)no2)s1 ZINC001492654989 1066765149 /nfs/dbraw/zinc/76/51/49/1066765149.db2.gz JTFULMCBVLMTDD-UHFFFAOYSA-N 0 0 454.575 4.766 20 0 JJADRN CC(C)C[C@@H](C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001457113684 1066765314 /nfs/dbraw/zinc/76/53/14/1066765314.db2.gz OCOWSCOYWQGYPQ-SCTDSRPQSA-N 0 0 453.608 4.898 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)C[C@H](C)C2)s1 ZINC001492655179 1066765827 /nfs/dbraw/zinc/76/58/27/1066765827.db2.gz MGJJZYWPZUNHCK-KBPBESRZSA-N 0 0 477.476 4.844 20 0 JJADRN Cc1cscc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001492655262 1066765842 /nfs/dbraw/zinc/76/58/42/1066765842.db2.gz FQBOXEOTHXZJOO-UHFFFAOYSA-N 0 0 466.558 4.737 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492655185 1066765847 /nfs/dbraw/zinc/76/58/47/1066765847.db2.gz MHZFWYHNNCPVPJ-CHWSQXEVSA-N 0 0 463.449 4.834 20 0 JJADRN Cc1cscc1Cn1c(N(CCO)Cc2ccc(F)c(Br)c2)nnc1C(C)(C)C ZINC001492655251 1066765857 /nfs/dbraw/zinc/76/58/57/1066765857.db2.gz FFSDKEMHLSTQFZ-UHFFFAOYSA-N 0 0 481.435 4.894 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC001447013926 1066766059 /nfs/dbraw/zinc/76/60/59/1066766059.db2.gz VMIGSUZJIHLSRI-JXFKEZNVSA-N 0 0 451.567 4.564 20 0 JJADRN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447015929 1066766128 /nfs/dbraw/zinc/76/61/28/1066766128.db2.gz SPAIDLVJBYPTDC-XIVBQZFQSA-N 0 0 458.521 4.512 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCC2(Cc3ccccc3)CCCC2)cc1 ZINC001447015603 1066766178 /nfs/dbraw/zinc/76/61/78/1066766178.db2.gz YFUMXXKGRCEWAO-UHFFFAOYSA-N 0 0 456.652 4.572 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCn2cccn2)s1 ZINC001492655427 1066766298 /nfs/dbraw/zinc/76/62/98/1066766298.db2.gz RASILIYTHBWZLH-UHFFFAOYSA-N 0 0 476.437 4.901 20 0 JJADRN Cc1cscc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001492655562 1066766790 /nfs/dbraw/zinc/76/67/90/1066766790.db2.gz JPWAGXLMHIWJCJ-OAHLLOKOSA-N 0 0 479.469 4.980 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3ccccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)s1 ZINC001492655489 1066766896 /nfs/dbraw/zinc/76/68/96/1066766896.db2.gz SEAZYQDFVNUESI-UHFFFAOYSA-N 0 0 479.557 4.768 20 0 JJADRN Cc1cscc1Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001492655628 1066766939 /nfs/dbraw/zinc/76/69/39/1066766939.db2.gz LELYEBIRYIVXIA-QHCPKHFHSA-N 0 0 462.566 4.652 20 0 JJADRN CCC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC001457121658 1066766979 /nfs/dbraw/zinc/76/69/79/1066766979.db2.gz FGZBFFMQXJOLCE-RUZDIDTESA-N 0 0 452.576 4.941 20 0 JJADRN Cc1nc(C)c(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOC(C)(C)C)s1 ZINC001492655718 1066767233 /nfs/dbraw/zinc/76/72/33/1066767233.db2.gz XJAFHASTLPQHJM-UHFFFAOYSA-N 0 0 481.464 4.603 20 0 JJADRN Cc1nc(C)c(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)c2ccccc2F)s1 ZINC001492655654 1066767389 /nfs/dbraw/zinc/76/73/89/1066767389.db2.gz VMDNKYANWZRGIZ-MRXNPFEDSA-N 0 0 479.585 4.578 20 0 JJADRN O=C(CCCc1c(F)cccc1F)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001447022372 1066767452 /nfs/dbraw/zinc/76/74/52/1066767452.db2.gz BZUXDKQSMZRDGY-UHFFFAOYSA-N 0 0 457.439 4.782 20 0 JJADRN Cc1ccc(CCC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c(C)c1 ZINC001457125477 1066767624 /nfs/dbraw/zinc/76/76/24/1066767624.db2.gz AEXWHNJETDNLJV-RUZDIDTESA-N 0 0 457.542 4.824 20 0 JJADRN C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C[C@H]1F ZINC001447030023 1066767827 /nfs/dbraw/zinc/76/78/27/1066767827.db2.gz OEEBHNOBQDMPJL-FDDCHVKYSA-N 0 0 452.551 4.975 20 0 JJADRN Cc1nn(C)c(C)c1CNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001457128910 1066768728 /nfs/dbraw/zinc/76/87/28/1066768728.db2.gz QNCKTZRTVIOBSH-SFHVURJKSA-N 0 0 455.386 4.568 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)Oc1ccccc1F ZINC001545991930 1066769176 /nfs/dbraw/zinc/76/91/76/1066769176.db2.gz BVZDAILZASUWLD-LEWJYISDSA-N 0 0 495.647 4.759 20 0 JJADRN C[C@H](CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)Oc1cccc(Br)c1 ZINC001457132728 1066769245 /nfs/dbraw/zinc/76/92/45/1066769245.db2.gz LHBMXILNAPNJLX-MRXNPFEDSA-N 0 0 450.348 4.511 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnn(CC(C)C)c2C)CCO1 ZINC001546087006 1066769733 /nfs/dbraw/zinc/76/97/33/1066769733.db2.gz DBMVJWDLVMZMJS-DEOSSOPVSA-N 0 0 475.012 4.952 20 0 JJADRN Cc1nc(C)c(CCn2c([C@@H]3CCCCO3)nnc2N(C)CCOc2ccccc2C)s1 ZINC001492657013 1066769918 /nfs/dbraw/zinc/76/99/18/1066769918.db2.gz PFCIKBWQQPECCH-NRFANRHFSA-N 0 0 455.628 4.659 20 0 JJADRN Cc1nc(C)c(CCn2c(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)nnc2C(C)(C)C)s1 ZINC001492656971 1066770041 /nfs/dbraw/zinc/77/00/41/1066770041.db2.gz KNECVZGWEHRXLE-SFHVURJKSA-N 0 0 468.671 4.547 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2ccc(Br)c3cc(C)oc32)CC1 ZINC001457136264 1066770052 /nfs/dbraw/zinc/77/00/52/1066770052.db2.gz QUZBCGZHEMHCCZ-UHFFFAOYSA-N 0 0 458.299 4.944 20 0 JJADRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC001447056746 1066770239 /nfs/dbraw/zinc/77/02/39/1066770239.db2.gz UTZXMJCWVLTSBE-NBHGPNQESA-N 0 0 451.558 4.984 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCCO3)nnc2N(C)CCCOc2ccccc2)s1 ZINC001492657104 1066770369 /nfs/dbraw/zinc/77/03/69/1066770369.db2.gz RQKPUMZCKYNIEB-OAQYLSRUSA-N 0 0 455.628 4.741 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)c2cccnc2c1C ZINC001457137346 1066770526 /nfs/dbraw/zinc/77/05/26/1066770526.db2.gz GWHRSTWICHZWBF-FQEVSTJZSA-N 0 0 452.352 4.857 20 0 JJADRN Cc1ccc(Cn2cccc(NC(=O)c3cc(F)c(F)cc3C(=O)c3ccccc3)c2=O)cc1 ZINC001447068203 1066770917 /nfs/dbraw/zinc/77/09/17/1066770917.db2.gz HSAOFJAVWYOXBG-UHFFFAOYSA-N 0 0 458.464 4.967 20 0 JJADRN CC(C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 ZINC001457138993 1066770908 /nfs/dbraw/zinc/77/09/08/1066770908.db2.gz KVJHOTFAFWWAFH-MRXNPFEDSA-N 0 0 452.979 4.812 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@H]2C)s1 ZINC001492657597 1066770904 /nfs/dbraw/zinc/77/09/04/1066770904.db2.gz YCWBTTMWEKEBDX-APWZRJJASA-N 0 0 474.675 4.697 20 0 JJADRN Cn1nc(NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC001457140796 1066771141 /nfs/dbraw/zinc/77/11/41/1066771141.db2.gz NPZUEMJCKGKZGN-UHFFFAOYSA-N 0 0 455.337 4.902 20 0 JJADRN Cc1nc(C)c(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC[C@@H]2C)s1 ZINC001492657598 1066771149 /nfs/dbraw/zinc/77/11/49/1066771149.db2.gz YCWBTTMWEKEBDX-LPHOPBHVSA-N 0 0 474.675 4.697 20 0 JJADRN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC001457142379 1066771412 /nfs/dbraw/zinc/77/14/12/1066771412.db2.gz ZRKVHQIKMMHJTF-CZUORRHYSA-N 0 0 459.637 4.734 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccccc2F)CCO1 ZINC001546087134 1066771508 /nfs/dbraw/zinc/77/15/08/1066771508.db2.gz GZQWBLLOIDQMHP-QMHKHESXSA-N 0 0 459.953 4.605 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cc(Br)c(C)n(C)c2=O)cc1 ZINC001457140642 1066771545 /nfs/dbraw/zinc/77/15/45/1066771545.db2.gz OJEZJFGSJCIBHR-CQSZACIVSA-N 0 0 455.352 4.623 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492657703 1066771416 /nfs/dbraw/zinc/77/14/16/1066771416.db2.gz ZTIRWIOATGEEDS-LJQANCHMSA-N 0 0 474.719 4.561 20 0 JJADRN Cc1nc(C)c(CCn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC001492657544 1066771514 /nfs/dbraw/zinc/77/15/14/1066771514.db2.gz XCEDUZNNCPFDLW-MKTHODDLSA-N 0 0 457.669 4.796 20 0 JJADRN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1)c1ccccc1 ZINC001545992316 1066771411 /nfs/dbraw/zinc/77/14/11/1066771411.db2.gz HLTGIWYAXHBQHW-FYYLOGMGSA-N 0 0 481.641 4.937 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC001447074048 1066771475 /nfs/dbraw/zinc/77/14/75/1066771475.db2.gz TXWFHHVCIJKTBX-OAQYLSRUSA-N 0 0 451.617 4.864 20 0 JJADRN Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC001492657701 1066771548 /nfs/dbraw/zinc/77/15/48/1066771548.db2.gz ZTIRWIOATGEEDS-IBGZPJMESA-N 0 0 474.719 4.561 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC001492657903 1066771943 /nfs/dbraw/zinc/77/19/43/1066771943.db2.gz FJWDWLMAPRNTFH-INIZCTEOSA-N 0 0 451.518 4.559 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(Br)cs2)s1 ZINC001492657783 1066771999 /nfs/dbraw/zinc/77/19/99/1066771999.db2.gz AHTVYYVPNWHYJR-CQSZACIVSA-N 0 0 482.473 4.754 20 0 JJADRN CCOc1cccc(N2CCC(NC(=O)Cc3csc(-c4ccccc4Cl)n3)CC2)n1 ZINC001457143838 1066772020 /nfs/dbraw/zinc/77/20/20/1066772020.db2.gz LSTIJJVSURDXGB-UHFFFAOYSA-N 0 0 456.999 4.585 20 0 JJADRN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001447077693 1066772162 /nfs/dbraw/zinc/77/21/62/1066772162.db2.gz ZHPKGHBFBYPGCT-LBPRGKRZSA-N 0 0 454.905 4.539 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492658381 1066772563 /nfs/dbraw/zinc/77/25/63/1066772563.db2.gz QGYXSJPBLFJOPQ-TXEJJXNPSA-N 0 0 480.407 4.582 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCSC2)CCO1 ZINC001546087245 1066772554 /nfs/dbraw/zinc/77/25/54/1066772554.db2.gz ITWYFZWRRXQBJB-YCRPNKLZSA-N 0 0 483.451 4.995 20 0 JJADRN O=C(Nc1cc(Cc2ccccc2)ccc1O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001447096888 1066772705 /nfs/dbraw/zinc/77/27/05/1066772705.db2.gz YEZJVDKVTUHVII-UHFFFAOYSA-N 0 0 456.399 4.974 20 0 JJADRN COc1cccc(-c2cc(NC(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n(C)n2)c1 ZINC001447098262 1066772774 /nfs/dbraw/zinc/77/27/74/1066772774.db2.gz JVLIIHFACLBRPJ-JLYLLQBASA-N 0 0 454.571 4.602 20 0 JJADRN Cc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)s1 ZINC001492658440 1066773005 /nfs/dbraw/zinc/77/30/05/1066773005.db2.gz RRVCQTCLNPALOG-FQEVSTJZSA-N 0 0 457.566 4.587 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CSCCS2)CCO1 ZINC001546087253 1066773206 /nfs/dbraw/zinc/77/32/06/1066773206.db2.gz IVRJBWOXMVDWOP-YADARESESA-N 0 0 492.711 4.595 20 0 JJADRN CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C12CCCC2 ZINC001457149142 1066773500 /nfs/dbraw/zinc/77/35/00/1066773500.db2.gz ZLFVVKOWPIEVLI-OLZOCXBDSA-N 0 0 451.707 4.551 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C)CC2)s1 ZINC001492658709 1066773543 /nfs/dbraw/zinc/77/35/43/1066773543.db2.gz IDHBEYQRWLCDTL-UHFFFAOYSA-N 0 0 463.449 4.794 20 0 JJADRN O=C(c1ccc(-c2ccccn2)nc1)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447105215 1066773641 /nfs/dbraw/zinc/77/36/41/1066773641.db2.gz FMGRPUHXAPONNI-FQEVSTJZSA-N 0 0 455.299 4.726 20 0 JJADRN O=C(c1ccc(-c2ccccn2)nc1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447105220 1066773655 /nfs/dbraw/zinc/77/36/55/1066773655.db2.gz FMGRPUHXAPONNI-HXUWFJFHSA-N 0 0 455.299 4.726 20 0 JJADRN COc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)[C@H](CO)C(C)C)cc1 ZINC001447106802 1066773788 /nfs/dbraw/zinc/77/37/88/1066773788.db2.gz GAFZBVZCHSUFHR-JOCHJYFZSA-N 0 0 452.576 4.668 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(F)(F)Br)CCO1 ZINC001546087593 1066774070 /nfs/dbraw/zinc/77/40/70/1066774070.db2.gz OZRJZMZJNMCBCQ-QGZVFWFLSA-N 0 0 479.753 4.600 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(SC)CC2)CCO1 ZINC001546087659 1066774216 /nfs/dbraw/zinc/77/42/16/1066774216.db2.gz QEQZIQSRNDDBPJ-QHCPKHFHSA-N 0 0 460.644 4.642 20 0 JJADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC(C)(C)C)s1 ZINC001492659015 1066774632 /nfs/dbraw/zinc/77/46/32/1066774632.db2.gz NMEVNQWCQFPIRX-UHFFFAOYSA-N 0 0 451.438 4.650 20 0 JJADRN Cc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H](C)c2ccco2)s1 ZINC001492659097 1066774677 /nfs/dbraw/zinc/77/46/77/1066774677.db2.gz PYTHRYIUHWXIEB-OAHLLOKOSA-N 0 0 485.013 4.774 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCCCc3ccc(Br)cc3)C2)C1 ZINC001457154482 1066774731 /nfs/dbraw/zinc/77/47/31/1066774731.db2.gz SRIKDEBLOXWSQT-UHFFFAOYSA-N 0 0 451.405 4.631 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nc(C(C)(C)C)cs2)CCO1 ZINC001546087692 1066774811 /nfs/dbraw/zinc/77/48/11/1066774811.db2.gz QPRCFUUUNKTGCB-AREMUKBSSA-N 0 0 499.681 4.964 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2csc(C(C)C)n2)CCO1 ZINC001546087860 1066775576 /nfs/dbraw/zinc/77/55/76/1066775576.db2.gz VBMDILUDECWYDY-RUZDIDTESA-N 0 0 485.654 4.790 20 0 JJADRN Cc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 ZINC001492659338 1066775673 /nfs/dbraw/zinc/77/56/73/1066775673.db2.gz YLQFIINIIOIFPN-SPKLELGKSA-N 0 0 499.534 4.835 20 0 JJADRN Cc1nc(C)c(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)s1 ZINC001492659442 1066775703 /nfs/dbraw/zinc/77/57/03/1066775703.db2.gz BLZGKCQJTOIMRO-VWLOTQADSA-N 0 0 469.655 4.663 20 0 JJADRN Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001457157519 1066775735 /nfs/dbraw/zinc/77/57/35/1066775735.db2.gz SGDGJFZQANKNNC-QHCPKHFHSA-N 0 0 452.551 4.564 20 0 JJADRN COc1ccc(C[C@H](C)CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001447114322 1066775654 /nfs/dbraw/zinc/77/56/54/1066775654.db2.gz VCCAOZVQADJRRS-IBGZPJMESA-N 0 0 455.599 4.677 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001447114326 1066775692 /nfs/dbraw/zinc/77/56/92/1066775692.db2.gz VCCAOZVQADJRRS-LJQANCHMSA-N 0 0 455.599 4.677 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1)NC(=O)OC(C)(C)C ZINC001545992774 1066776094 /nfs/dbraw/zinc/77/60/94/1066776094.db2.gz NCHXTLWAYQOIDH-IBGZPJMESA-N 0 0 489.661 4.824 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccccc3F)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 ZINC001492659552 1066776313 /nfs/dbraw/zinc/77/63/13/1066776313.db2.gz FBUQMJKUSOENDY-UHFFFAOYSA-N 0 0 465.602 4.679 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC001492659613 1066776379 /nfs/dbraw/zinc/77/63/79/1066776379.db2.gz HBUPNMCWXAZSCM-LJQANCHMSA-N 0 0 494.709 4.562 20 0 JJADRN Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)s1 ZINC001492659585 1066776470 /nfs/dbraw/zinc/77/64/70/1066776470.db2.gz FVFXCCBMZFQOQB-UHFFFAOYSA-N 0 0 460.047 4.633 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N2C[C@H](C)[C@H](C)C2)s1 ZINC001492659966 1066776939 /nfs/dbraw/zinc/77/69/39/1066776939.db2.gz FXVIEQRIEZKLOV-OKILXGFUSA-N 0 0 476.444 4.833 20 0 JJADRN CCc1ccc(N2CCN(C(=O)[C@@H](CCOC)Cc3cccc(Br)c3)CC2)cc1 ZINC001457161752 1066776809 /nfs/dbraw/zinc/77/68/09/1066776809.db2.gz WHKAZXXAYPWJGS-NRFANRHFSA-N 0 0 459.428 4.556 20 0 JJADRN Cc1nc(C)c(Cn2c(CCc3ccccc3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)s1 ZINC001492660271 1066777282 /nfs/dbraw/zinc/77/72/82/1066777282.db2.gz RJHVEVGAKKIIHU-UHFFFAOYSA-N 0 0 489.571 4.574 20 0 JJADRN CC(C)(C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccccc1Br ZINC001447131234 1066777362 /nfs/dbraw/zinc/77/73/62/1066777362.db2.gz NDCVIXCXUVGELH-SFHVURJKSA-N 0 0 454.311 4.928 20 0 JJADRN COC(=O)[C@H](CNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)Oc1ccc(F)cc1 ZINC001447136723 1066777384 /nfs/dbraw/zinc/77/73/84/1066777384.db2.gz IYLSTSFUZGBZGO-FCHUYYIVSA-N 0 0 457.498 4.535 20 0 JJADRN Cc1nc(C)c(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(F)(F)F)s1 ZINC001492660109 1066777345 /nfs/dbraw/zinc/77/73/45/1066777345.db2.gz IEYHLKRROKXCDJ-UHFFFAOYSA-N 0 0 490.349 4.740 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@@H]1c1ccc(C)o1 ZINC001457165740 1066777905 /nfs/dbraw/zinc/77/79/05/1066777905.db2.gz COBCNSOFZPGROW-WOJBJXKFSA-N 0 0 456.539 4.522 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C1CC1 ZINC001447139791 1066777934 /nfs/dbraw/zinc/77/79/34/1066777934.db2.gz ZBBAFHZUIIGLEQ-HXUWFJFHSA-N 0 0 457.958 4.625 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)s1 ZINC001492660458 1066777951 /nfs/dbraw/zinc/77/79/51/1066777951.db2.gz OTTXCEUFQQDCDS-SFHVURJKSA-N 0 0 462.664 4.954 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1c1ccc(C)o1 ZINC001457165733 1066777977 /nfs/dbraw/zinc/77/79/77/1066777977.db2.gz COBCNSOFZPGROW-VQTJNVASSA-N 0 0 456.539 4.522 20 0 JJADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(C)C)C2)s1 ZINC001492660816 1066778508 /nfs/dbraw/zinc/77/85/08/1066778508.db2.gz VUYMYTVXFDBYJX-OALUTQOASA-N 0 0 474.675 4.954 20 0 JJADRN CNc1nnc(CC(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)s1 ZINC001447157687 1066778548 /nfs/dbraw/zinc/77/85/48/1066778548.db2.gz FHNCVMCNFNIYQZ-UHFFFAOYSA-N 0 0 454.300 4.545 20 0 JJADRN O=C(NCCCc1nnc2n1CCCC2)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001447155421 1066778611 /nfs/dbraw/zinc/77/86/11/1066778611.db2.gz AVQDBZZMSTWXEG-UHFFFAOYSA-N 0 0 455.356 4.532 20 0 JJADRN CC(C)(C)c1nc(CCNC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)cs1 ZINC001447158003 1066778684 /nfs/dbraw/zinc/77/86/84/1066778684.db2.gz GWKLNJSXNBFJSN-IBGZPJMESA-N 0 0 457.543 4.549 20 0 JJADRN CSc1cccc(N2C[C@@H](C(=O)Oc3ccc(N(C)C(=O)OC(C)(C)C)cc3)CC2=O)c1 ZINC001457169465 1066778604 /nfs/dbraw/zinc/77/86/04/1066778604.db2.gz LPEOIVAAZUTDKV-INIZCTEOSA-N 0 0 456.564 4.738 20 0 JJADRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)cc(F)c3Br)n2)c1 ZINC001457169290 1066778701 /nfs/dbraw/zinc/77/87/01/1066778701.db2.gz KTWJWKZZUWASEJ-SECBINFHSA-N 0 0 454.683 4.791 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001457169782 1066779105 /nfs/dbraw/zinc/77/91/05/1066779105.db2.gz NBRYFQYJDFBQLR-MRXNPFEDSA-N 0 0 454.876 4.796 20 0 JJADRN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3c(Cl)cccc3Br)n2)c1 ZINC001457169956 1066779199 /nfs/dbraw/zinc/77/91/99/1066779199.db2.gz FVOXZZBNWIJQSU-NSHDSACASA-N 0 0 450.720 4.581 20 0 JJADRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001447162334 1066779268 /nfs/dbraw/zinc/77/92/68/1066779268.db2.gz COJMPJLPTQFAFF-CSKARUKUSA-N 0 0 451.527 4.613 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1)N1CCCC1=O ZINC001447163805 1066779283 /nfs/dbraw/zinc/77/92/83/1066779283.db2.gz ZTEZGJHOFJLYLN-SFHVURJKSA-N 0 0 452.299 4.810 20 0 JJADRN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)c1ccc(-c2cn[nH]c2)cc1 ZINC001447164089 1066779338 /nfs/dbraw/zinc/77/93/38/1066779338.db2.gz DRABREDRHLIOSN-UHFFFAOYSA-N 0 0 454.246 4.667 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001457169773 1066779222 /nfs/dbraw/zinc/77/92/22/1066779222.db2.gz NBRYFQYJDFBQLR-INIZCTEOSA-N 0 0 454.876 4.796 20 0 JJADRN CCCc1c(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001447167909 1066779685 /nfs/dbraw/zinc/77/96/85/1066779685.db2.gz FWVHZSRTWKSAEQ-NRFANRHFSA-N 0 0 458.965 4.773 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CCc3ccc(O)cc3)n2CCC2CCOCC2)cs1 ZINC001492661135 1066779702 /nfs/dbraw/zinc/77/97/02/1066779702.db2.gz DHVOLQRLMJHXAR-SFHVURJKSA-N 0 0 469.655 4.614 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2Cc2c(C)nn(C)c2C)cs1 ZINC001492661085 1066779778 /nfs/dbraw/zinc/77/97/78/1066779778.db2.gz CRKNMSIQVFDAEI-CQSZACIVSA-N 0 0 471.581 4.508 20 0 JJADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1F ZINC001457171138 1066779782 /nfs/dbraw/zinc/77/97/82/1066779782.db2.gz KJYIKSCWSODFLL-HNNXBMFYSA-N 0 0 454.523 4.796 20 0 JJADRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C2CCC(NC(=O)C3CC3)CC2)cc1 ZINC001457173714 1066780204 /nfs/dbraw/zinc/78/02/04/1066780204.db2.gz YFZCCIROOALROP-UHFFFAOYSA-N 0 0 454.954 4.607 20 0 JJADRN Cc1c(Br)csc1C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC001457175671 1066780748 /nfs/dbraw/zinc/78/07/48/1066780748.db2.gz AAYFBUABWUVRNC-UHFFFAOYSA-N 0 0 454.342 4.536 20 0 JJADRN Cc1nc([C@H]2CN(c3nnc([C@@H](C)Oc4c(C)cc(Cl)cc4C)n3CC(C)C)CCO2)no1 ZINC001492661473 1066780874 /nfs/dbraw/zinc/78/08/74/1066780874.db2.gz BXQPLVYCJOLWNW-VQIMIIECSA-N 0 0 474.993 4.614 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001447178723 1066780944 /nfs/dbraw/zinc/78/09/44/1066780944.db2.gz WMAFQAJOOSVJOW-QGZVFWFLSA-N 0 0 450.894 4.704 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCc2cccc(F)c2C1 ZINC001447195170 1066781312 /nfs/dbraw/zinc/78/13/12/1066781312.db2.gz LFESQSOKWRHAJI-UHFFFAOYSA-N 0 0 457.299 4.656 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2CC2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492661761 1066781375 /nfs/dbraw/zinc/78/13/75/1066781375.db2.gz LZWUOSIGUAQYHC-HNNXBMFYSA-N 0 0 488.683 4.760 20 0 JJADRN CC(C)(C)OC(=O)CN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc2c(c1)OCO2 ZINC001457179741 1066781443 /nfs/dbraw/zinc/78/14/43/1066781443.db2.gz RUBJFNLQAHNMOR-UHFFFAOYSA-N 0 0 456.495 4.666 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1occc1CSc1ccccc1 ZINC001447195138 1066781963 /nfs/dbraw/zinc/78/19/63/1066781963.db2.gz DETPQUCAEOJWCO-GOSISDBHSA-N 0 0 450.560 4.669 20 0 JJADRN COc1cc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2C)cc(OC)c1Br ZINC001457182906 1066781900 /nfs/dbraw/zinc/78/19/00/1066781900.db2.gz FNRWBGSXKDOIKS-JTQLQIEISA-N 0 0 453.720 4.924 20 0 JJADRN CCC[C@H](C)N1C[C@H](C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)CC1=O ZINC001447198650 1066781986 /nfs/dbraw/zinc/78/19/86/1066781986.db2.gz MDYMCACYPXVGDN-GOEBONIOSA-N 0 0 454.518 4.519 20 0 JJADRN COC(=O)c1coc(/C=C\C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)c1 ZINC001457186622 1066782239 /nfs/dbraw/zinc/78/22/39/1066782239.db2.gz CYYUVDKOMIVDNG-UYWPIULCSA-N 0 0 451.166 4.828 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2Cc2nccc(C(F)F)n2)cs1 ZINC001492662410 1066782297 /nfs/dbraw/zinc/78/22/97/1066782297.db2.gz SMDOZONKBNIROO-LBPRGKRZSA-N 0 0 461.567 4.669 20 0 JJADRN COc1cccc(Cn2ccc3ccc(NC(=O)[C@@]4(C(=O)OC(C)(C)C)CCCO4)cc32)c1 ZINC001447204339 1066782359 /nfs/dbraw/zinc/78/23/59/1066782359.db2.gz VVJMEWDNVAZQDO-AREMUKBSSA-N 0 0 450.535 4.528 20 0 JJADRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC001447202040 1066782413 /nfs/dbraw/zinc/78/24/13/1066782413.db2.gz RFSSNRIMPMIRQQ-UHFFFAOYSA-N 0 0 453.951 4.633 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccccc1 ZINC001447214511 1066782779 /nfs/dbraw/zinc/78/27/79/1066782779.db2.gz ZAKUKBCTTUNOMP-AZGAKELHSA-N 0 0 458.558 4.605 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C3CCCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)cs1 ZINC001492663540 1066783411 /nfs/dbraw/zinc/78/34/11/1066783411.db2.gz CJFXFQPOOKRMEL-UHFFFAOYSA-N 0 0 467.643 4.545 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC001447230750 1066783861 /nfs/dbraw/zinc/78/38/61/1066783861.db2.gz FLBKNRNEZQLMDJ-ZYKLXPEUSA-N 0 0 450.579 4.625 20 0 JJADRN C[C@@](Cc1nc2ccccc2s1)(C(=O)N[C@H](CO)c1cc(F)ccc1F)c1ccccc1 ZINC001457192860 1066783839 /nfs/dbraw/zinc/78/38/39/1066783839.db2.gz RLOJROMPLXLUGB-BWKNWUBXSA-N 0 0 452.526 4.925 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)NCc3ccco3)c1)CCC2 ZINC001447232923 1066783874 /nfs/dbraw/zinc/78/38/74/1066783874.db2.gz NMIPDXONQJIGBY-XMMPIXPASA-N 0 0 452.576 4.689 20 0 JJADRN CC(C)(C)[C@H]1C[C@H](NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001447230963 1066783921 /nfs/dbraw/zinc/78/39/21/1066783921.db2.gz HHVMSFBNGMHSPD-HOYKHHGWSA-N 0 0 450.579 4.625 20 0 JJADRN CC(C)(C)[C@@H]1C[C@H](NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC001447230967 1066783951 /nfs/dbraw/zinc/78/39/51/1066783951.db2.gz HHVMSFBNGMHSPD-KOSHJBKYSA-N 0 0 450.579 4.625 20 0 JJADRN O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ncc(Br)cn1 ZINC001457193834 1066784341 /nfs/dbraw/zinc/78/43/41/1066784341.db2.gz SRCNFTVHRYZCDE-SNVBAGLBSA-N 0 0 458.003 4.601 20 0 JJADRN CO[C@H](C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F ZINC001457193845 1066784449 /nfs/dbraw/zinc/78/44/49/1066784449.db2.gz JGDDLTNUOYCYGV-LPHOPBHVSA-N 0 0 458.521 4.936 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC001492664608 1066784400 /nfs/dbraw/zinc/78/44/00/1066784400.db2.gz MWIUJYNRGNLFJW-FUHWJXTLSA-N 0 0 481.592 4.914 20 0 JJADRN CC(C)(COc1ncccc1Br)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC001545993708 1066784536 /nfs/dbraw/zinc/78/45/36/1066784536.db2.gz BOVJYBOPGMHEDD-UHFFFAOYSA-N 0 0 459.384 4.660 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2Cc2cccnc2OC2CCCC2)cs1 ZINC001492664179 1066784590 /nfs/dbraw/zinc/78/45/90/1066784590.db2.gz DAFIFGQQLQVMJZ-UHFFFAOYSA-N 0 0 454.644 4.881 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)cs1 ZINC001492664310 1066784601 /nfs/dbraw/zinc/78/46/01/1066784601.db2.gz IFUCALXFMQWJHC-UHFFFAOYSA-N 0 0 482.576 4.695 20 0 JJADRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccccc1 ZINC001457194707 1066784533 /nfs/dbraw/zinc/78/45/33/1066784533.db2.gz CUCGTYRUZGHOMA-KRWDZBQOSA-N 0 0 457.452 4.785 20 0 JJADRN O=C(CCSc1nc2ccccc2s1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447246210 1066784623 /nfs/dbraw/zinc/78/46/23/1066784623.db2.gz BYZCUDVWTJJNRV-QGZVFWFLSA-N 0 0 450.532 4.980 20 0 JJADRN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001457196616 1066784913 /nfs/dbraw/zinc/78/49/13/1066784913.db2.gz GIOKAZOXLJFHQY-LJQANCHMSA-N 0 0 453.995 4.817 20 0 JJADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCc4ccccc43)n2CC(F)(F)Br)cs1 ZINC001492664419 1066785027 /nfs/dbraw/zinc/78/50/27/1066785027.db2.gz SLAWGVYABPGLIU-MRXNPFEDSA-N 0 0 468.371 4.745 20 0 JJADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(C)c(Br)cc1C ZINC001457195658 1066785070 /nfs/dbraw/zinc/78/50/70/1066785070.db2.gz DBWJPKJMEZDIBY-UHFFFAOYSA-N 0 0 453.764 4.795 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001447252326 1066785005 /nfs/dbraw/zinc/78/50/05/1066785005.db2.gz QADATICROQGCLS-ZHALLVOQSA-N 0 0 457.395 4.890 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196812 1066785364 /nfs/dbraw/zinc/78/53/64/1066785364.db2.gz BVFNKWMTNOMUCT-RTWAWAEBSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3C[C@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196808 1066785514 /nfs/dbraw/zinc/78/55/14/1066785514.db2.gz BVFNKWMTNOMUCT-NHCUHLMSSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1cccc([C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccn2)c1 ZINC001447262822 1066785662 /nfs/dbraw/zinc/78/56/62/1066785662.db2.gz QWNBTICALOXUJW-PGRDOPGGSA-N 0 0 454.357 4.956 20 0 JJADRN CCCc1c(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cnn1-c1ccc(C)cc1 ZINC001447262632 1066785697 /nfs/dbraw/zinc/78/56/97/1066785697.db2.gz ZJJHUZCFFKMDGU-HSZRJFAPSA-N 0 0 455.505 4.948 20 0 JJADRN COc1cccc(C(=O)CCCC(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001457197354 1066786239 /nfs/dbraw/zinc/78/62/39/1066786239.db2.gz FOPLMMFDYYQVRC-AREMUKBSSA-N 0 0 458.599 4.830 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC001457198308 1066786254 /nfs/dbraw/zinc/78/62/54/1066786254.db2.gz IGQYBNAFRXXEKB-AREMUKBSSA-N 0 0 451.567 4.850 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccs3)n2C[C@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492665262 1066786318 /nfs/dbraw/zinc/78/63/18/1066786318.db2.gz BSNOQOYYNUUEKJ-QFIPXVFZSA-N 0 0 474.055 4.893 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H]3C[C@H]3Cc3ccccc3)c2)cc1F ZINC001457197926 1066786320 /nfs/dbraw/zinc/78/63/20/1066786320.db2.gz HVUDYTBORHSXOE-NHCUHLMSSA-N 0 0 452.551 4.544 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492665403 1066786762 /nfs/dbraw/zinc/78/67/62/1066786762.db2.gz HGRDUYBFQMYRDQ-PGRDOPGGSA-N 0 0 496.681 4.916 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cccc(F)c3)n2Cc2cnn(CC(C)C)c2C)cs1 ZINC001492665617 1066787124 /nfs/dbraw/zinc/78/71/24/1066787124.db2.gz PEKMGJAMNVRZIU-UHFFFAOYSA-N 0 0 467.618 4.619 20 0 JJADRN O=C(c1cc(-c2ccc(Cl)cc2)c[nH]1)N(CCO)Cc1cc(Br)ccc1F ZINC001447279123 1066787304 /nfs/dbraw/zinc/78/73/04/1066787304.db2.gz USGIFERARYKBRK-UHFFFAOYSA-N 0 0 451.723 4.871 20 0 JJADRN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001545994051 1066787560 /nfs/dbraw/zinc/78/75/60/1066787560.db2.gz MDOBTAIXLBNTAN-HXUWFJFHSA-N 0 0 459.384 4.593 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001457201809 1066787807 /nfs/dbraw/zinc/78/78/07/1066787807.db2.gz QOQWNQLQWMMABT-UNVFRBQDSA-N 0 0 479.662 4.852 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC2CCCC2)cs1 ZINC001492665822 1066787772 /nfs/dbraw/zinc/78/77/72/1066787772.db2.gz ARGXYNJHFNJKDZ-UHFFFAOYSA-N 0 0 450.406 4.816 20 0 JJADRN C[C@@H]1CCCN(C(=O)CSc2ccc(Br)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001457202572 1066787854 /nfs/dbraw/zinc/78/78/54/1066787854.db2.gz SXOVDYWEDZTHGI-RHSMWYFYSA-N 0 0 457.434 4.693 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4F)CCC3)c2)c1 ZINC001447287818 1066787863 /nfs/dbraw/zinc/78/78/63/1066787863.db2.gz RHTFBONENMRUKG-UHFFFAOYSA-N 0 0 456.514 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCSCc2ccccc2)cs1 ZINC001492665829 1066787875 /nfs/dbraw/zinc/78/78/75/1066787875.db2.gz AYPDTSQSRUGOEY-UHFFFAOYSA-N 0 0 470.693 4.969 20 0 JJADRN CCCO[C@@H](C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(F)cc1C ZINC001457203382 1066788252 /nfs/dbraw/zinc/78/82/52/1066788252.db2.gz RAFDKHHFFARFIV-JOCHJYFZSA-N 0 0 450.938 4.717 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001492665906 1066788368 /nfs/dbraw/zinc/78/83/68/1066788368.db2.gz XBWBTMYZQLJHJL-UHFFFAOYSA-N 0 0 484.670 4.882 20 0 JJADRN Cc1cc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)on1 ZINC001447300397 1066788666 /nfs/dbraw/zinc/78/86/66/1066788666.db2.gz CFKRPBACCYAASE-HHHXNRCGSA-N 0 0 456.542 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001457205456 1066789243 /nfs/dbraw/zinc/78/92/43/1066789243.db2.gz YEGWDNFQOFKILN-PGRDOPGGSA-N 0 0 457.398 4.809 20 0 JJADRN Cc1nc(C)c(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)[nH]1 ZINC001447300562 1066789262 /nfs/dbraw/zinc/78/92/62/1066789262.db2.gz CQUAULXSSZSHRP-SANMLTNESA-N 0 0 455.558 4.982 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(F)cccc3Cl)n2CCCOC2CCOCC2)cs1 ZINC001492666092 1066789381 /nfs/dbraw/zinc/78/93/81/1066789381.db2.gz GUTGSLXVMYIJMD-UHFFFAOYSA-N 0 0 494.036 4.648 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H](C)Cc2cccs2)cs1 ZINC001492666047 1066789490 /nfs/dbraw/zinc/78/94/90/1066789490.db2.gz FSCBDYGCVMCXIQ-AWEZNQCLSA-N 0 0 456.641 4.815 20 0 JJADRN CCn1nccc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447304598 1066789459 /nfs/dbraw/zinc/78/94/59/1066789459.db2.gz FOPNDQJIMLUNLW-HHHXNRCGSA-N 0 0 455.558 4.858 20 0 JJADRN Cc1cc(-c2cc(C(=O)N[C@@H](C)C(=O)OC3CCCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC001457207657 1066789749 /nfs/dbraw/zinc/78/97/49/1066789749.db2.gz KEUDJPLLIKABPS-HNNXBMFYSA-N 0 0 454.596 4.962 20 0 JJADRN O=C(CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1)Nc1ccccc1F ZINC001447307884 1066789957 /nfs/dbraw/zinc/78/99/57/1066789957.db2.gz OEXAZNDUWXDOAL-UHFFFAOYSA-N 0 0 457.958 4.604 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2C[C@@H]2CCCS2)cs1 ZINC001492666140 1066789972 /nfs/dbraw/zinc/78/99/72/1066789972.db2.gz IKZWWTNEBRALKG-INIZCTEOSA-N 0 0 452.024 4.958 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2CCCC2CCOCC2)cs1 ZINC001492666181 1066790397 /nfs/dbraw/zinc/79/03/97/1066790397.db2.gz KHQXJDXLCNRSGB-UHFFFAOYSA-N 0 0 461.582 4.755 20 0 JJADRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC001447311160 1066790519 /nfs/dbraw/zinc/79/05/19/1066790519.db2.gz RPSWBOXPHOSVAM-FUHWJXTLSA-N 0 0 456.384 4.874 20 0 JJADRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC001447311157 1066790561 /nfs/dbraw/zinc/79/05/61/1066790561.db2.gz RPSWBOXPHOSVAM-AEFFLSMTSA-N 0 0 456.384 4.874 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC[C@H]2C[C@H](F)C2)cs1 ZINC001492666190 1066790528 /nfs/dbraw/zinc/79/05/28/1066790528.db2.gz KQYMFDOAYZSLOB-HDJSIYSDSA-N 0 0 468.396 4.764 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2CCC2CCOCC2)cs1 ZINC001492666269 1066790911 /nfs/dbraw/zinc/79/09/11/1066790911.db2.gz NHLSKJGPDYFQKR-UHFFFAOYSA-N 0 0 496.500 4.911 20 0 JJADRN Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)n(C)n1 ZINC001447320150 1066791427 /nfs/dbraw/zinc/79/14/27/1066791427.db2.gz UGGYIRIPQSXPQG-HHHXNRCGSA-N 0 0 455.558 4.684 20 0 JJADRN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc3ccc(OC)cc3nc2C)c1 ZINC001447318991 1066791458 /nfs/dbraw/zinc/79/14/58/1066791458.db2.gz SAQOZEFAMLMJKE-MHZLTWQESA-N 0 0 456.542 4.936 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc3ccc(OC)cc3nc2C)c1 ZINC001447318927 1066791632 /nfs/dbraw/zinc/79/16/32/1066791632.db2.gz SAQOZEFAMLMJKE-HHHXNRCGSA-N 0 0 456.542 4.936 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)Oc1ccccc1F ZINC001545994496 1066791896 /nfs/dbraw/zinc/79/18/96/1066791896.db2.gz ALMIWXPMTQGPTC-PZJWPPBQSA-N 0 0 468.621 4.666 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545994544 1066791981 /nfs/dbraw/zinc/79/19/81/1066791981.db2.gz BEMJBUHGSVXUGP-FYYLOGMGSA-N 0 0 484.689 4.885 20 0 JJADRN O=C(CCC(=O)c1c(F)cccc1F)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001447320053 1066791992 /nfs/dbraw/zinc/79/19/92/1066791992.db2.gz NDBLJASOXFOBAG-UHFFFAOYSA-N 0 0 453.367 4.710 20 0 JJADRN CCSc1nc(C)c([C@H](CC)C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)s1 ZINC001457212900 1066792016 /nfs/dbraw/zinc/79/20/16/1066792016.db2.gz KPLTXLFDTUVINY-LPHOPBHVSA-N 0 0 450.626 4.674 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3ccc(Br)s3)n2CCC2CC2)cs1 ZINC001492666512 1066792067 /nfs/dbraw/zinc/79/20/67/1066792067.db2.gz XBNBOLCUVZPHGP-UHFFFAOYSA-N 0 0 452.447 4.894 20 0 JJADRN O=C(Nc1ccc(N2C(=O)CCC2=O)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001457213460 1066792118 /nfs/dbraw/zinc/79/21/18/1066792118.db2.gz RGWNWYOUDVBOGM-UHFFFAOYSA-N 0 0 454.408 4.750 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CCO2)cc1OC ZINC001457216243 1066792158 /nfs/dbraw/zinc/79/21/58/1066792158.db2.gz XEWXPRXBBNNBLC-KZFLWGQDSA-N 0 0 455.860 4.903 20 0 JJADRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)cc1 ZINC001457217257 1066792558 /nfs/dbraw/zinc/79/25/58/1066792558.db2.gz JHEXXHNZXPMNDP-UHFFFAOYSA-N 0 0 452.923 4.790 20 0 JJADRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457220547 1066792866 /nfs/dbraw/zinc/79/28/66/1066792866.db2.gz HJMLRYQEOFNQJN-UPCLLVRISA-N 0 0 454.929 4.773 20 0 JJADRN CC[C@H]1CN(C(=O)CCc2cc(Br)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447325204 1066792875 /nfs/dbraw/zinc/79/28/75/1066792875.db2.gz ARXFHBCFTYXLGW-KSSFIOAISA-N 0 0 457.384 4.673 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492667062 1066793011 /nfs/dbraw/zinc/79/30/11/1066793011.db2.gz RVTDJHDPAIWBIN-UHFFFAOYSA-N 0 0 495.497 4.611 20 0 JJADRN O=C(c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2)N1CC=C(C(F)(F)F)CC1 ZINC001447329084 1066793378 /nfs/dbraw/zinc/79/33/78/1066793378.db2.gz IWKXEXBTPKSLIT-UHFFFAOYSA-N 0 0 457.246 4.550 20 0 JJADRN Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2cccc(OCC(F)(F)F)c2)cs1 ZINC001492667408 1066793456 /nfs/dbraw/zinc/79/34/56/1066793456.db2.gz DWJDRGKNCIZJHU-HXUWFJFHSA-N 0 0 495.571 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@](C)(O)c2cccc(Cl)c2)cs1 ZINC001492667244 1066793580 /nfs/dbraw/zinc/79/35/80/1066793580.db2.gz ZKLSJTAYHLZSQW-NRFANRHFSA-N 0 0 482.000 4.676 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3sc(C)cc3OCc3ccccc3)C2)c1 ZINC001457222590 1066793648 /nfs/dbraw/zinc/79/36/48/1066793648.db2.gz JDESKUPJOZXUHB-IBGZPJMESA-N 0 0 452.576 4.661 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447329293 1066793397 /nfs/dbraw/zinc/79/33/97/1066793397.db2.gz GFBBACNIIZWMBC-DYVFJYSZSA-N 0 0 459.812 4.797 20 0 JJADRN CC[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001447328112 1066793412 /nfs/dbraw/zinc/79/34/12/1066793412.db2.gz DIIROARMTKIOMC-XLIONFOSSA-N 0 0 451.007 4.540 20 0 JJADRN CC[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447329301 1066793469 /nfs/dbraw/zinc/79/34/69/1066793469.db2.gz GFBBACNIIZWMBC-SUMWQHHRSA-N 0 0 459.812 4.797 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3csc(C)n3)n2CCOc2ccc(Cl)cc2)s1 ZINC001492666743 1066793911 /nfs/dbraw/zinc/79/39/11/1066793911.db2.gz GHSRARCTEMBFSA-UHFFFAOYSA-N 0 0 475.043 4.768 20 0 JJADRN CC[C@H]1CN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001447330658 1066794362 /nfs/dbraw/zinc/79/43/62/1066794362.db2.gz IZJADUWWCUMLAP-GTPNXJITSA-N 0 0 479.662 4.708 20 0 JJADRN Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492666788 1066794470 /nfs/dbraw/zinc/79/44/70/1066794470.db2.gz HWIBJPTYFFRYFD-UHFFFAOYSA-N 0 0 494.568 4.868 20 0 JJADRN O=C(c1nn(-c2cccc(Br)c2)c2c1CCCC2)N1CC=C(C(F)(F)F)CC1 ZINC001447331985 1066794419 /nfs/dbraw/zinc/79/44/19/1066794419.db2.gz XKZHBEILMMXYLM-UHFFFAOYSA-N 0 0 454.290 4.848 20 0 JJADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)c1 ZINC001457226886 1066794600 /nfs/dbraw/zinc/79/46/00/1066794600.db2.gz PUWBOTURZRUKGF-QGZVFWFLSA-N 0 0 456.995 4.998 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CCOc2ccc(Cl)cn2)CCO1 ZINC001546088874 1066794612 /nfs/dbraw/zinc/79/46/12/1066794612.db2.gz CPROVLBEMAGQDU-QFIPXVFZSA-N 0 0 462.381 4.731 20 0 JJADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)c1 ZINC001457226881 1066794670 /nfs/dbraw/zinc/79/46/70/1066794670.db2.gz PUWBOTURZRUKGF-KRWDZBQOSA-N 0 0 456.995 4.998 20 0 JJADRN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001447333510 1066794982 /nfs/dbraw/zinc/79/49/82/1066794982.db2.gz ICJDOEUZHLGAHX-FQEVSTJZSA-N 0 0 458.400 4.529 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC001457229945 1066794959 /nfs/dbraw/zinc/79/49/59/1066794959.db2.gz VVOWECIGFCUMKE-HNNXBMFYSA-N 0 0 455.942 4.583 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC001457230265 1066795022 /nfs/dbraw/zinc/79/50/22/1066795022.db2.gz RRDWAGBPCPKNBM-HSZRJFAPSA-N 0 0 459.546 4.821 20 0 JJADRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)cnc1Cl ZINC001457231219 1066795481 /nfs/dbraw/zinc/79/54/81/1066795481.db2.gz SMVCHWBEEQJHOQ-CQSZACIVSA-N 0 0 459.930 4.575 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCC3(c4ccccc4Cl)CC3)cn2)C1 ZINC001447334483 1066795571 /nfs/dbraw/zinc/79/55/71/1066795571.db2.gz OPJODBKJNXXQAY-GOSISDBHSA-N 0 0 458.990 4.570 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cs1 ZINC001492668394 1066795843 /nfs/dbraw/zinc/79/58/43/1066795843.db2.gz JBSNABYACDTTMQ-YJBOKZPZSA-N 0 0 459.582 4.864 20 0 JJADRN C[C@H](C(=O)N1CCc2c(Br)ccc(Cl)c2C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001447343050 1066796404 /nfs/dbraw/zinc/79/64/04/1066796404.db2.gz BLNNCKXCNUUDEE-GFCCVEGCSA-N 0 0 457.796 4.775 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2C[C@@H](C)Oc2ccc(F)cc2)cs1 ZINC001492668692 1066796779 /nfs/dbraw/zinc/79/67/79/1066796779.db2.gz UPOXIKJTCDQFGJ-CYBMUJFWSA-N 0 0 457.497 4.629 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CCc2csc(C(C)C)n2)cs1 ZINC001492668597 1066796788 /nfs/dbraw/zinc/79/67/88/1066796788.db2.gz QRENFFNGKQTQPP-UHFFFAOYSA-N 0 0 474.700 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(-n3ccnc3C)c(F)c2)cs1 ZINC001492668780 1066796923 /nfs/dbraw/zinc/79/69/23/1066796923.db2.gz XKAUOFYUTGGHCO-UHFFFAOYSA-N 0 0 493.534 4.704 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N[C@H](c3c(C)nn(C)c3C)C(F)(F)F)s2)c(F)c1 ZINC001457240426 1066797133 /nfs/dbraw/zinc/79/71/33/1066797133.db2.gz ASVXBKANNWICDN-QGZVFWFLSA-N 0 0 456.465 4.650 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC001457240464 1066797267 /nfs/dbraw/zinc/79/72/67/1066797267.db2.gz BZGDZRPJGIULTH-HNNXBMFYSA-N 0 0 456.637 4.589 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCC(C)C)n2Cc2ccc(-n3ccnc3C)c(F)c2)cs1 ZINC001492668794 1066797399 /nfs/dbraw/zinc/79/73/99/1066797399.db2.gz XWUKGHRCUPAGIG-UHFFFAOYSA-N 0 0 467.618 4.798 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC001447357774 1066797520 /nfs/dbraw/zinc/79/75/20/1066797520.db2.gz BFIZWVWMHKGTOD-JOCHJYFZSA-N 0 0 450.332 4.742 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)C(F)(F)F ZINC001457243485 1066797697 /nfs/dbraw/zinc/79/76/97/1066797697.db2.gz FFDWNIOEUROHLP-GOSISDBHSA-N 0 0 450.486 4.693 20 0 JJADRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001457243442 1066797762 /nfs/dbraw/zinc/79/77/62/1066797762.db2.gz FBZVBAHUYSOKPK-WJOKGBTCSA-N 0 0 451.445 4.770 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3Cl)n2C[C@H]2CSCCS2)cs1 ZINC001492669324 1066797653 /nfs/dbraw/zinc/79/76/53/1066797653.db2.gz QUNKGKWCTFFMMM-KRWDZBQOSA-N 0 0 496.127 4.651 20 0 JJADRN Cc1nc(Cc2nnc(N(C)CCCOc3ccccc3)n2C[C@@]2(C)CCCS2)cs1 ZINC001492669170 1066797684 /nfs/dbraw/zinc/79/76/84/1066797684.db2.gz LLKAAHSNZULQKE-HSZRJFAPSA-N 0 0 457.669 4.825 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCCCn2cc(Br)cn2)CCO1 ZINC001546089157 1066798109 /nfs/dbraw/zinc/79/81/09/1066798109.db2.gz IZTZOHGTVBRCMW-HSZRJFAPSA-N 0 0 487.446 4.698 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC001492669765 1066798231 /nfs/dbraw/zinc/79/82/31/1066798231.db2.gz AGHWIBVQIHXNOB-ZDUSSCGKSA-N 0 0 483.535 4.844 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccsc2Br)cs1 ZINC001492669750 1066798248 /nfs/dbraw/zinc/79/82/48/1066798248.db2.gz AAYGLBVHZBQXIK-STQMWFEESA-N 0 0 466.474 4.988 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC001457254900 1066798166 /nfs/dbraw/zinc/79/81/66/1066798166.db2.gz DDDLDSLUXGLISQ-UHFFFAOYSA-N 0 0 454.379 4.952 20 0 JJADRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1cc(Br)ccc1OC(F)F ZINC001457256115 1066798323 /nfs/dbraw/zinc/79/83/23/1066798323.db2.gz YCGRYAZNCMSVCP-SANMLTNESA-N 0 0 458.202 4.930 20 0 JJADRN CC(=O)N1Cc2ccc(NC(=O)c3cc(Oc4cccc(Br)c4)ccn3)cc2C1 ZINC001457263008 1066798697 /nfs/dbraw/zinc/79/86/97/1066798697.db2.gz CTHGAJJKYSJLJM-UHFFFAOYSA-N 0 0 452.308 4.751 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C)CC(C)(C)C2)c1 ZINC001447361807 1066798844 /nfs/dbraw/zinc/79/88/44/1066798844.db2.gz UHAOBZALVKNICK-UHFFFAOYSA-N 0 0 458.624 4.727 20 0 JJADRN CCC(CC)(CNC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1)c1ccc(OC)c(OC)c1 ZINC001447362164 1066798881 /nfs/dbraw/zinc/79/88/81/1066798881.db2.gz KTSWQNLWWVSQSS-VQTJNVASSA-N 0 0 458.565 4.977 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2ccc(OC(C)C)cc2)cs1 ZINC001492669990 1066799244 /nfs/dbraw/zinc/79/92/44/1066799244.db2.gz CQKATJCBUMDRBJ-QRWLVFNGSA-N 0 0 495.571 4.625 20 0 JJADRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1)Oc1cccc(F)c1 ZINC001545994969 1066799185 /nfs/dbraw/zinc/79/91/85/1066799185.db2.gz JZABCOMAOGDFOM-OAQYLSRUSA-N 0 0 473.637 4.558 20 0 JJADRN CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 ZINC001457269135 1066800105 /nfs/dbraw/zinc/80/01/05/1066800105.db2.gz PWOBMYRABUKSHU-UHFFFAOYSA-N 0 0 455.461 4.671 20 0 JJADRN CC1(C)CN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC001447367974 1066800166 /nfs/dbraw/zinc/80/01/66/1066800166.db2.gz QJDMHRXFXHFDRK-UHFFFAOYSA-N 0 0 455.046 4.956 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@](C)(O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC001447369045 1066800372 /nfs/dbraw/zinc/80/03/72/1066800372.db2.gz WDEBRQTXFSRVJU-PGRDOPGGSA-N 0 0 453.366 4.583 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)C1(C)C ZINC001447370703 1066800698 /nfs/dbraw/zinc/80/06/98/1066800698.db2.gz UKQKRBNSRSNDDE-RBBKRZOGSA-N 0 0 456.558 4.960 20 0 JJADRN COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1OC(C)C ZINC001447372417 1066800734 /nfs/dbraw/zinc/80/07/34/1066800734.db2.gz MYNMQADPSWJTAR-UHFFFAOYSA-N 0 0 452.580 4.757 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCc3cc(N4CCCC[C@H]4C)ccc32)C1 ZINC001447374735 1066801364 /nfs/dbraw/zinc/80/13/64/1066801364.db2.gz BYTYMXWGFNCHKS-FGZHOGPDSA-N 0 0 454.659 4.812 20 0 JJADRN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC(C)C ZINC001447380282 1066801398 /nfs/dbraw/zinc/80/13/98/1066801398.db2.gz YJQVIBURPWVSRQ-UHFFFAOYSA-N 0 0 454.548 4.844 20 0 JJADRN COc1cccc(C(NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)c2cccc(OC)c2)c1 ZINC001457272132 1066801331 /nfs/dbraw/zinc/80/13/31/1066801331.db2.gz XBORYJQNJRKZJO-UHFFFAOYSA-N 0 0 455.457 4.864 20 0 JJADRN O=C(CCCSc1ccc(Cl)cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC001457270876 1066801494 /nfs/dbraw/zinc/80/14/94/1066801494.db2.gz XFSUYQBEJFJDCJ-SFHVURJKSA-N 0 0 456.004 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCc2ccc(N(C)C)cc2)cs1 ZINC001492671195 1066801480 /nfs/dbraw/zinc/80/14/80/1066801480.db2.gz SKYQIINHZZQJRN-GOSISDBHSA-N 0 0 452.672 4.815 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545995170 1066801450 /nfs/dbraw/zinc/80/14/50/1066801450.db2.gz NSYLIPTVXNGYIT-AZUAARDMSA-N 0 0 457.619 4.567 20 0 JJADRN O=C([C@H](Oc1ccc(Br)cc1F)c1ccccc1)N1CCOc2ncccc2C1 ZINC001447374444 1066801455 /nfs/dbraw/zinc/80/14/55/1066801455.db2.gz BNUALECMGDDXLP-HXUWFJFHSA-N 0 0 457.299 4.525 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545995171 1066801513 /nfs/dbraw/zinc/80/15/13/1066801513.db2.gz NSYLIPTVXNGYIT-ICSRJNTNSA-N 0 0 457.619 4.567 20 0 JJADRN Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCCCOCc2ccccc2)cs1 ZINC001492671241 1066802003 /nfs/dbraw/zinc/80/20/03/1066802003.db2.gz SWILRBLXOUEUTP-IBGZPJMESA-N 0 0 469.655 4.635 20 0 JJADRN O=C(CCSc1ccccc1Cl)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC001447381868 1066802081 /nfs/dbraw/zinc/80/20/81/1066802081.db2.gz RXCYTSSYFQZBKP-HNNXBMFYSA-N 0 0 456.917 4.758 20 0 JJADRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001457275923 1066802030 /nfs/dbraw/zinc/80/20/30/1066802030.db2.gz QLMCHESAYDAOQM-UHFFFAOYSA-N 0 0 455.521 4.777 20 0 JJADRN CC(C)(C(=O)O[C@@H]1CCCc2cc(F)ccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC001457276453 1066802171 /nfs/dbraw/zinc/80/21/71/1066802171.db2.gz UZLJZEUTMTYCGY-GOSISDBHSA-N 0 0 455.345 4.761 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492671481 1066802750 /nfs/dbraw/zinc/80/27/50/1066802750.db2.gz XOQDVCXDDQTHIG-GJZGRUSLSA-N 0 0 465.545 4.867 20 0 JJADRN C=CC(=O)N1CCC(C(=O)NCc2c(OC(C)C)ccc3ccccc32)(c2ccccc2)CC1 ZINC001447388297 1066802791 /nfs/dbraw/zinc/80/27/91/1066802791.db2.gz SESCWKKBQMSQCG-UHFFFAOYSA-N 0 0 456.586 4.990 20 0 JJADRN C[C@@](O)(C1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1)C(F)(F)F ZINC001447394267 1066802837 /nfs/dbraw/zinc/80/28/37/1066802837.db2.gz PIAJZQLBPGFKAS-JOCHJYFZSA-N 0 0 450.457 4.601 20 0 JJADRN CCOc1ccc(-c2cn(C3CN(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)C3)nn2)cc1 ZINC001447387411 1066802858 /nfs/dbraw/zinc/80/28/58/1066802858.db2.gz QCUCZGRIWDECOU-UHFFFAOYSA-N 0 0 450.848 4.713 20 0 JJADRN O=C(Nc1cc2c(cc1Br)NC(=O)CO2)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001457281824 1066803294 /nfs/dbraw/zinc/80/32/94/1066803294.db2.gz YFOUQUBMPMTAGL-VXGBXAGGSA-N 0 0 456.123 4.829 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C)Oc2ccccc2C)cs1 ZINC001492671783 1066803151 /nfs/dbraw/zinc/80/31/51/1066803151.db2.gz FGRUWAAMABXMTB-OKZBNKHCSA-N 0 0 457.669 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](C)Oc2ccccc2C)cs1 ZINC001492671784 1066803208 /nfs/dbraw/zinc/80/32/08/1066803208.db2.gz FGRUWAAMABXMTB-SQNIBIBYSA-N 0 0 457.669 4.740 20 0 JJADRN Cc1nc(Cc2nnc(N3CC=CCC3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)cs1 ZINC001492671735 1066803284 /nfs/dbraw/zinc/80/32/84/1066803284.db2.gz DCCAZEWRDWOFTO-UHFFFAOYSA-N 0 0 480.638 4.990 20 0 JJADRN COCCOc1ccccc1COC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001457280559 1066803341 /nfs/dbraw/zinc/80/33/41/1066803341.db2.gz VXKDTRSOLFJJMO-UHFFFAOYSA-N 0 0 451.210 4.989 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2Cc2ccnc(C(F)(F)F)c2)cs1 ZINC001492671893 1066803818 /nfs/dbraw/zinc/80/38/18/1066803818.db2.gz HSGUFQLPXXSODX-INIZCTEOSA-N 0 0 464.561 4.968 20 0 JJADRN CCOc1cccc([C@@H](CC)OC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)c1 ZINC001457283462 1066803755 /nfs/dbraw/zinc/80/37/55/1066803755.db2.gz CHRPKJWOQJGHDH-OAQYLSRUSA-N 0 0 457.571 4.781 20 0 JJADRN CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC001457287099 1066803811 /nfs/dbraw/zinc/80/38/11/1066803811.db2.gz XXTTWTJMJDYJMT-AWEZNQCLSA-N 0 0 457.372 4.674 20 0 JJADRN CCc1c(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cnn1-c1ccccc1OC ZINC001447399076 1066803779 /nfs/dbraw/zinc/80/37/79/1066803779.db2.gz IEXJURCOLKXZQI-UHFFFAOYSA-N 0 0 459.377 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC001447401277 1066803883 /nfs/dbraw/zinc/80/38/83/1066803883.db2.gz MNAFDKXCEHFRCG-UHFFFAOYSA-N 0 0 454.398 4.599 20 0 JJADRN C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC001447398130 1066803992 /nfs/dbraw/zinc/80/39/92/1066803992.db2.gz HQAGJULHZLJLEU-VQIMIIECSA-N 0 0 451.558 4.893 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)n2CCCC(F)(F)F)cs1 ZINC001492672686 1066804491 /nfs/dbraw/zinc/80/44/91/1066804491.db2.gz WUVGZWRMQZTZME-DNVCBOLYSA-N 0 0 465.545 4.943 20 0 JJADRN O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001457288068 1066804431 /nfs/dbraw/zinc/80/44/31/1066804431.db2.gz JAVIUYSWCLMFBT-UHFFFAOYSA-N 0 0 456.255 4.603 20 0 JJADRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC001457290784 1066804673 /nfs/dbraw/zinc/80/46/73/1066804673.db2.gz QGDIXMSKQWFOTH-UHFFFAOYSA-N 0 0 459.539 4.718 20 0 JJADRN CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)CCS1 ZINC001447402722 1066804536 /nfs/dbraw/zinc/80/45/36/1066804536.db2.gz PBIXQUWKAFAGHY-UHFFFAOYSA-N 0 0 450.601 4.683 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H]2CCCCC2(F)F)cs1 ZINC001492672736 1066804956 /nfs/dbraw/zinc/80/49/56/1066804956.db2.gz XKOSIZRYDRMEGZ-IBGZPJMESA-N 0 0 494.656 4.543 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C[C@@]2(C)CCCO2)cs1 ZINC001492672704 1066804974 /nfs/dbraw/zinc/80/49/74/1066804974.db2.gz FJKSBAGGJKVAGI-MRXNPFEDSA-N 0 0 483.482 4.524 20 0 JJADRN CCOC(=O)c1sc(CNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)nc1C ZINC001457293377 1066805023 /nfs/dbraw/zinc/80/50/23/1066805023.db2.gz OSPAMUHDZPTICR-UHFFFAOYSA-N 0 0 458.971 4.583 20 0 JJADRN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001457291234 1066805136 /nfs/dbraw/zinc/80/51/36/1066805136.db2.gz LRCCNHABDMAXIL-MRXNPFEDSA-N 0 0 450.283 4.915 20 0 JJADRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001447407592 1066805234 /nfs/dbraw/zinc/80/52/34/1066805234.db2.gz ALZUIBQXKZDVQK-DEOSSOPVSA-N 0 0 459.587 4.655 20 0 JJADRN Cc1cccn2cc(COc3ccc(C(=O)Nc4cc(C)c(Br)cn4)cc3)nc12 ZINC001457291869 1066805226 /nfs/dbraw/zinc/80/52/26/1066805226.db2.gz MJWUFGXFMRIYNB-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN COc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)ccc1OC(C)C ZINC001447406109 1066805320 /nfs/dbraw/zinc/80/53/20/1066805320.db2.gz UPJNXVPCLYQICK-UHFFFAOYSA-N 0 0 454.548 4.844 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2cccc(C(F)(F)F)n2)cs1 ZINC001492673148 1066805489 /nfs/dbraw/zinc/80/54/89/1066805489.db2.gz NEHCDXSVVOVLCJ-UHFFFAOYSA-N 0 0 450.534 4.722 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC(=O)Nc2c(C)cccc2C)cs1 ZINC001492673078 1066805587 /nfs/dbraw/zinc/80/55/87/1066805587.db2.gz LSCNEUARIBXLCK-UHFFFAOYSA-N 0 0 492.571 4.668 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)cs1 ZINC001492673082 1066805598 /nfs/dbraw/zinc/80/55/98/1066805598.db2.gz LTSCZHKIMWIIEL-SJLPKXTDSA-N 0 0 474.675 4.564 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc(-c3ccccc3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001457294618 1066805800 /nfs/dbraw/zinc/80/58/00/1066805800.db2.gz QETXPJRUBGZMPE-GAJHUEQPSA-N 0 0 452.917 4.873 20 0 JJADRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cn(CCc2ccccc2)nn1 ZINC001457296273 1066806480 /nfs/dbraw/zinc/80/64/80/1066806480.db2.gz QOJKTUPACZDUIB-OAHLLOKOSA-N 0 0 455.349 4.886 20 0 JJADRN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001447416689 1066806886 /nfs/dbraw/zinc/80/68/86/1066806886.db2.gz QNFOQSVQCASGHC-LJQANCHMSA-N 0 0 458.946 4.519 20 0 JJADRN COc1ccc(CNC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)c(OC2CCCC2)c1 ZINC001457299094 1066806845 /nfs/dbraw/zinc/80/68/45/1066806845.db2.gz OLZBMFJRZFUHTF-UHFFFAOYSA-N 0 0 450.579 4.753 20 0 JJADRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CN1c2ccccc2OCCC1=O ZINC001457298790 1066807001 /nfs/dbraw/zinc/80/70/01/1066807001.db2.gz VRKDKQCHXUOQSV-AWEZNQCLSA-N 0 0 459.333 4.553 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCc2cc(C(F)(F)F)ccn2)cs1 ZINC001492673555 1066806855 /nfs/dbraw/zinc/80/68/55/1066806855.db2.gz WKTOKYYDYYNDMZ-LSDHHAIUSA-N 0 0 464.561 4.773 20 0 JJADRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001457312353 1066807424 /nfs/dbraw/zinc/80/74/24/1066807424.db2.gz MKXOLZAUAIAJAH-HWBIBUKPSA-N 0 0 451.526 4.588 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC2(C)CCCC2)cs1 ZINC001492673649 1066807553 /nfs/dbraw/zinc/80/75/53/1066807553.db2.gz YUXMBGWIGZHWRM-HKUYNNGSSA-N 0 0 488.702 4.954 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001546089803 1066807657 /nfs/dbraw/zinc/80/76/57/1066807657.db2.gz WLAZITQQEHCAMY-RUZDIDTESA-N 0 0 457.619 4.516 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)c1ccccc1 ZINC001545995570 1066807636 /nfs/dbraw/zinc/80/76/36/1066807636.db2.gz VDOJQNKFWBAVTK-GMAHTHKFSA-N 0 0 466.674 4.643 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674072 1066807900 /nfs/dbraw/zinc/80/79/00/1066807900.db2.gz JMHKDZCEPALDNF-LNLFQRSKSA-N 0 0 474.675 4.516 20 0 JJADRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)Oc1ccccc1F ZINC001545995662 1066808007 /nfs/dbraw/zinc/80/80/07/1066808007.db2.gz WMERDQKSPGSPSH-RTWAWAEBSA-N 0 0 483.636 4.913 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2cccc(O)c2)cs1 ZINC001492673907 1066808113 /nfs/dbraw/zinc/80/81/13/1066808113.db2.gz FJNAJXWLCHJWPE-UHFFFAOYSA-N 0 0 451.518 4.557 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC001492674115 1066808570 /nfs/dbraw/zinc/80/85/70/1066808570.db2.gz KZMRLYOVNXHWAZ-SCTDSRPQSA-N 0 0 474.675 4.516 20 0 JJADRN O=C(Nc1ccc(F)cc1I)c1cc(F)c(Br)cc1F ZINC001457319271 1066809711 /nfs/dbraw/zinc/80/97/11/1066809711.db2.gz ZUSFBJMAXLBXDV-UHFFFAOYSA-N 0 0 455.999 4.723 20 0 JJADRN CN(CC(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1)C(=O)OC(C)(C)C ZINC001457320199 1066809892 /nfs/dbraw/zinc/80/98/92/1066809892.db2.gz ZWVAZKWJGPVITP-UHFFFAOYSA-N 0 0 459.344 4.798 20 0 JJADRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1I ZINC001457318784 1066809927 /nfs/dbraw/zinc/80/99/27/1066809927.db2.gz XOUWDHTWCGOBDS-UHFFFAOYSA-N 0 0 456.642 4.920 20 0 JJADRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC001447442187 1066809953 /nfs/dbraw/zinc/80/99/53/1066809953.db2.gz BWVCMSQSVQHRLO-OXQOHEQNSA-N 0 0 456.612 4.876 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(-c3cccnc3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CCO1 ZINC001546089866 1066809996 /nfs/dbraw/zinc/80/99/96/1066809996.db2.gz XWQWCHJNCKNUNF-KNQAVFIVSA-N 0 0 463.479 4.967 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)cs1 ZINC001492675180 1066810381 /nfs/dbraw/zinc/81/03/81/1066810381.db2.gz PGIJTSZTCYKAJV-LJQANCHMSA-N 0 0 476.691 4.762 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001447447352 1066810369 /nfs/dbraw/zinc/81/03/69/1066810369.db2.gz PFGSKUYGTYAPCT-XMSQKQJNSA-N 0 0 454.567 4.503 20 0 JJADRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001457324298 1066810458 /nfs/dbraw/zinc/81/04/58/1066810458.db2.gz LNAXLIMIVXBDES-GUYCJALGSA-N 0 0 458.402 4.825 20 0 JJADRN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)n1 ZINC001447448009 1066810476 /nfs/dbraw/zinc/81/04/76/1066810476.db2.gz JERAJVOOKNZFRQ-OFNKIYASSA-N 0 0 450.514 4.674 20 0 JJADRN Cc1cccc(-c2nc(CC(=O)N[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cs2)c1 ZINC001457330705 1066810847 /nfs/dbraw/zinc/81/08/47/1066810847.db2.gz VTNHVCUXRSDHEH-KRWDZBQOSA-N 0 0 459.493 4.602 20 0 JJADRN CCc1ccc2c(c1)[C@@H](NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)CCO2 ZINC001447448439 1066810954 /nfs/dbraw/zinc/81/09/54/1066810954.db2.gz WEFQJFUUWUVIPY-IBGZPJMESA-N 0 0 455.555 4.605 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1)c1ccc2c(c1)CCCC2 ZINC001447451191 1066811090 /nfs/dbraw/zinc/81/10/90/1066811090.db2.gz PIUCKPLGDKJYEJ-QMTRIVCPSA-N 0 0 456.627 4.937 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2Cc2ccc(OC(F)F)c(F)c2)cs1 ZINC001492675792 1066811416 /nfs/dbraw/zinc/81/14/16/1066811416.db2.gz KWLLCTPKLROSQH-GOSISDBHSA-N 0 0 495.571 4.674 20 0 JJADRN Cc1csc([C@@H](C)CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)n1 ZINC001447454952 1066811437 /nfs/dbraw/zinc/81/14/37/1066811437.db2.gz QNMOXCHYSNPQTL-HNNXBMFYSA-N 0 0 454.983 4.954 20 0 JJADRN Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCOc2ccccc2Cl)cs1 ZINC001492675863 1066811506 /nfs/dbraw/zinc/81/15/06/1066811506.db2.gz NMPOLZCWZNQYRZ-IBGZPJMESA-N 0 0 476.046 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2CCSCC(C)C)cs1 ZINC001492675727 1066811536 /nfs/dbraw/zinc/81/15/36/1066811536.db2.gz IRDMQZAEPPTEFY-UHFFFAOYSA-N 0 0 494.731 4.517 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC001447455076 1066811526 /nfs/dbraw/zinc/81/15/26/1066811526.db2.gz QOYYFBUPPOSACP-MWTRTKDXSA-N 0 0 453.539 4.553 20 0 JJADRN Cc1csc([C@H](C)CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)n1 ZINC001447454976 1066811629 /nfs/dbraw/zinc/81/16/29/1066811629.db2.gz QNMOXCHYSNPQTL-OAHLLOKOSA-N 0 0 454.983 4.954 20 0 JJADRN COC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC001457333144 1066811938 /nfs/dbraw/zinc/81/19/38/1066811938.db2.gz JVDFWKNLUDZAPU-GOSISDBHSA-N 0 0 457.393 4.983 20 0 JJADRN CC[C@@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)Oc1ccccc1C(F)(F)F ZINC001457338588 1066812430 /nfs/dbraw/zinc/81/24/30/1066812430.db2.gz JVDBCOFWBOEBBJ-AWEZNQCLSA-N 0 0 456.848 4.631 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C(C)(C)C)CCO1 ZINC001546089525 1066812470 /nfs/dbraw/zinc/81/24/70/1066812470.db2.gz QSEGZPYESZXDRC-PGRDOPGGSA-N 0 0 465.436 4.774 20 0 JJADRN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001457337292 1066812492 /nfs/dbraw/zinc/81/24/92/1066812492.db2.gz CYOVLMGBLPWCFF-UHFFFAOYSA-N 0 0 455.381 4.947 20 0 JJADRN O=C(CC1CCN(CC(F)F)CC1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447465063 1066812857 /nfs/dbraw/zinc/81/28/57/1066812857.db2.gz UDUGBEQXASIINA-LJQANCHMSA-N 0 0 450.505 4.687 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)C1 ZINC001447466753 1066812872 /nfs/dbraw/zinc/81/28/72/1066812872.db2.gz XAVMQZSTTSMETL-IBGZPJMESA-N 0 0 458.534 4.576 20 0 JJADRN CC[C@@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)Oc1ccccc1C(F)(F)F ZINC001457339564 1066813050 /nfs/dbraw/zinc/81/30/50/1066813050.db2.gz SIACNSRKDCAYFI-SFHVURJKSA-N 0 0 450.501 4.955 20 0 JJADRN O=C(CCCNC(=O)c1ccccc1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC001447463587 1066812962 /nfs/dbraw/zinc/81/29/62/1066812962.db2.gz RRXPSCLBDHVPNN-OAQYLSRUSA-N 0 0 450.514 4.530 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)N1CCO[C@H](CCc2ccccc2)C1 ZINC001447474857 1066813446 /nfs/dbraw/zinc/81/34/46/1066813446.db2.gz ICUCPQVSUJALDS-HXUWFJFHSA-N 0 0 454.364 4.841 20 0 JJADRN CC[C@@H](CNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1)Oc1ccccc1C(F)(F)F ZINC001457344472 1066813515 /nfs/dbraw/zinc/81/35/15/1066813515.db2.gz QZXJZPRSYQFUKK-KPZWWZAWSA-N 0 0 458.839 4.965 20 0 JJADRN C[C@@H](NC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC001457348020 1066814193 /nfs/dbraw/zinc/81/41/93/1066814193.db2.gz JMUDLWITHJMHEH-MOPGFXCFSA-N 0 0 453.583 4.636 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[C@H]2CCO[C@H](C)C2)cs1 ZINC001492676820 1066814820 /nfs/dbraw/zinc/81/48/20/1066814820.db2.gz PBQSXGAMSNZZPQ-PVAVHDDUSA-N 0 0 457.566 4.618 20 0 JJADRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC001457356262 1066815284 /nfs/dbraw/zinc/81/52/84/1066815284.db2.gz WYRMMGSZEOTDJL-OFVILXPXSA-N 0 0 457.574 4.634 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cccc(Br)c3F)C[C@H]1CCCC2 ZINC001457355482 1066815328 /nfs/dbraw/zinc/81/53/28/1066815328.db2.gz BOCDCOKSWGHDNW-SZNDQCEHSA-N 0 0 455.368 4.745 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3cccs3)n2CCCOCC(F)F)cs1 ZINC001492677389 1066815951 /nfs/dbraw/zinc/81/59/51/1066815951.db2.gz DYIMPIGJSFQPLC-MRXNPFEDSA-N 0 0 453.584 4.709 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@]4(CC=CCC4)C3)n2CCCOC(F)(F)F)cs1 ZINC001492677325 1066815966 /nfs/dbraw/zinc/81/59/66/1066815966.db2.gz CLVPVLHVATVSEH-HXUWFJFHSA-N 0 0 455.550 4.887 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC001447501743 1066815959 /nfs/dbraw/zinc/81/59/59/1066815959.db2.gz DPJKTSKKILNFIE-UHFFFAOYSA-N 0 0 452.551 4.955 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]4CCC[C@H]43)n2CCCN(C)C(=O)OC(C)(C)C)cs1 ZINC001492677652 1066816736 /nfs/dbraw/zinc/81/67/36/1066816736.db2.gz JUOHWCXJWQGISY-UYAOXDASSA-N 0 0 474.675 4.660 20 0 JJADRN O=C(NCc1cc(Cl)cc2c1OCC2)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001447508702 1066816707 /nfs/dbraw/zinc/81/67/07/1066816707.db2.gz OGBKOCBESKMUIG-DEOSSOPVSA-N 0 0 452.957 4.932 20 0 JJADRN COc1cc2ncc(C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)c(O)c2c(OC)c1 ZINC001447510035 1066816833 /nfs/dbraw/zinc/81/68/33/1066816833.db2.gz LTTPAMQVEXFJAJ-UHFFFAOYSA-N 0 0 459.329 4.782 20 0 JJADRN C[C@@H](CNC(=O)c1sccc1NC(=O)c1ccc(Br)cc1)c1nccs1 ZINC001447503397 1066816859 /nfs/dbraw/zinc/81/68/59/1066816859.db2.gz AYBRVDRDEPILKG-NSHDSACASA-N 0 0 450.383 4.753 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678008 1066817702 /nfs/dbraw/zinc/81/77/02/1066817702.db2.gz PXRBSBOXRZIBOC-LAUBAEHRSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H]3C3CCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC001492678009 1066817768 /nfs/dbraw/zinc/81/77/68/1066817768.db2.gz PXRBSBOXRZIBOC-UTKZUKDTSA-N 0 0 488.702 4.906 20 0 JJADRN Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1Br ZINC001457364804 1066817727 /nfs/dbraw/zinc/81/77/27/1066817727.db2.gz PEBSAWMLODBEBI-KSFYIVLOSA-N 0 0 451.405 4.915 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C[C@H]1CCCC2 ZINC001457366453 1066817799 /nfs/dbraw/zinc/81/77/99/1066817799.db2.gz QYIDRQMJUGVUBH-OSPHWJPCSA-N 0 0 458.990 4.887 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545996956 1066817933 /nfs/dbraw/zinc/81/79/33/1066817933.db2.gz HLCCKGSZWHLEQB-QFIPXVFZSA-N 0 0 485.673 4.874 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1)NC(=O)OC(C)(C)C ZINC001545996974 1066818021 /nfs/dbraw/zinc/81/80/21/1066818021.db2.gz HREXLJRQENXGNE-CPJSRVTESA-N 0 0 492.064 4.831 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCC(C)C)cs1 ZINC001492678415 1066818267 /nfs/dbraw/zinc/81/82/67/1066818267.db2.gz JHPNAHHBNFWPCP-GOSISDBHSA-N 0 0 494.731 4.517 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC001492678447 1066818399 /nfs/dbraw/zinc/81/83/99/1066818399.db2.gz XUEYTIIIDNGUOP-CJAUYULYSA-N 0 0 486.686 4.874 20 0 JJADRN O=Cc1cc(Br)cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC001447522212 1066818455 /nfs/dbraw/zinc/81/84/55/1066818455.db2.gz GALCOGYILQNUMA-CQSZACIVSA-N 0 0 452.173 4.896 20 0 JJADRN C[C@@H](CCNC(=O)c1csc(I)n1)c1cccc(C(F)(F)F)c1 ZINC001457380818 1066819499 /nfs/dbraw/zinc/81/94/99/1066819499.db2.gz FJCGDVQNLDWPHF-VIFPVBQESA-N 0 0 454.255 4.690 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2ccc(Cl)cc2)cs1 ZINC001492678823 1066819474 /nfs/dbraw/zinc/81/94/74/1066819474.db2.gz OVDKHPNUVDXHMG-GOSISDBHSA-N 0 0 485.963 4.883 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)cs1 ZINC001492678821 1066819490 /nfs/dbraw/zinc/81/94/90/1066819490.db2.gz OTIJBLPDMZSCIH-HLAWJBBLSA-N 0 0 488.702 4.934 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC001545997081 1066819730 /nfs/dbraw/zinc/81/97/30/1066819730.db2.gz JIRNTOXASYLELY-KSEOMHKRSA-N 0 0 453.631 4.859 20 0 JJADRN C[C@]1(c2ccc(C(=O)Nc3cc(Cl)ccc3NCC3CCCCC3)cc2)NC(=O)NC1=O ZINC001447534368 1066819774 /nfs/dbraw/zinc/81/97/74/1066819774.db2.gz RPUCLPYIXHNLMM-XMMPIXPASA-N 0 0 454.958 4.639 20 0 JJADRN Cc1c(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1F ZINC001457386560 1066819972 /nfs/dbraw/zinc/81/99/72/1066819972.db2.gz LEBFUCCGHJGNGY-CYBMUJFWSA-N 0 0 452.427 4.855 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cs1 ZINC001492678873 1066820059 /nfs/dbraw/zinc/82/00/59/1066820059.db2.gz PTKUFZKXYQDVGP-WFXMLNOXSA-N 0 0 488.702 4.906 20 0 JJADRN O=C(Nc1cc(Br)c(F)cc1Cl)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001457384402 1066820100 /nfs/dbraw/zinc/82/01/00/1066820100.db2.gz ISJGDTQXPRECBH-UHFFFAOYSA-N 0 0 456.667 4.631 20 0 JJADRN CC(C)(C)OC(=O)NCCCCNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001447557228 1066821356 /nfs/dbraw/zinc/82/13/56/1066821356.db2.gz VQIMTYRYARWPFM-LJQANCHMSA-N 0 0 455.640 4.519 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545997243 1066821500 /nfs/dbraw/zinc/82/15/00/1066821500.db2.gz LSPFCOQGCFKUPP-FQEVSTJZSA-N 0 0 475.609 4.530 20 0 JJADRN Cc1nc(Cc2nnc(N3CCC[C@@H](Oc4ncccc4F)C3)n2CCCC(C)C)cs1 ZINC001492679335 1066821895 /nfs/dbraw/zinc/82/18/95/1066821895.db2.gz ZPULIYLMOLTVPB-LJQANCHMSA-N 0 0 458.607 4.652 20 0 JJADRN C[C@]1(CCc2ccccc2)CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001457397254 1066821827 /nfs/dbraw/zinc/82/18/27/1066821827.db2.gz HXTZCKRWPDHJSN-DEOSSOPVSA-N 0 0 453.633 4.800 20 0 JJADRN CC(=O)Nc1cc(C(=O)NC[C@H](C)Oc2ccccc2Br)cc(C(F)(F)F)c1 ZINC001457396522 1066821968 /nfs/dbraw/zinc/82/19/68/1066821968.db2.gz XWVLJFAMIDWKFT-NSHDSACASA-N 0 0 459.262 4.624 20 0 JJADRN CC[C@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)Oc1ccccc1Cl ZINC001457399423 1066822450 /nfs/dbraw/zinc/82/24/50/1066822450.db2.gz NOQCWPHZZUDMRO-GOSISDBHSA-N 0 0 450.000 4.790 20 0 JJADRN CCCCOCCN(C(=O)c1ccc2c(c1)CCC(=O)N2C)c1cccc(Br)c1 ZINC001457399647 1066822591 /nfs/dbraw/zinc/82/25/91/1066822591.db2.gz HWIGOYXCOOGDQW-UHFFFAOYSA-N 0 0 459.384 4.822 20 0 JJADRN O=C(c1ccc(NCc2ccsc2)cc1)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC001447563755 1066822594 /nfs/dbraw/zinc/82/25/94/1066822594.db2.gz VMHYSTLLFZYUDG-HXUWFJFHSA-N 0 0 459.493 4.692 20 0 JJADRN Cc1nc(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC2(CC(C)C)CC2)cs1 ZINC001492680305 1066822609 /nfs/dbraw/zinc/82/26/09/1066822609.db2.gz IDEBCJWGCCWXEZ-GOSISDBHSA-N 0 0 488.702 4.906 20 0 JJADRN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCC1)NC(=O)OC(C)(C)C ZINC001545997328 1066822679 /nfs/dbraw/zinc/82/26/79/1066822679.db2.gz MWHTTYRDJZDQOR-QGZVFWFLSA-N 0 0 463.573 4.687 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001545997750 1066823724 /nfs/dbraw/zinc/82/37/24/1066823724.db2.gz VGNABURVCIEFKS-VJBWXMMDSA-N 0 0 483.657 4.628 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1F ZINC001457407648 1066824082 /nfs/dbraw/zinc/82/40/82/1066824082.db2.gz PYYZESQBUWKNMR-QGZVFWFLSA-N 0 0 454.857 4.594 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 ZINC001457408435 1066824216 /nfs/dbraw/zinc/82/42/16/1066824216.db2.gz OZMBRSSKUMIJCX-UHFFFAOYSA-N 0 0 455.555 4.744 20 0 JJADRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447574759 1066824247 /nfs/dbraw/zinc/82/42/47/1066824247.db2.gz IJLWYBZSAHOKFF-QMHKHESXSA-N 0 0 459.512 4.986 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC001457410866 1066824878 /nfs/dbraw/zinc/82/48/78/1066824878.db2.gz LBSAQWXUQVNHKY-UHFFFAOYSA-N 0 0 451.539 4.950 20 0 JJADRN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC001447578697 1066824886 /nfs/dbraw/zinc/82/48/86/1066824886.db2.gz UMVNTXVCWGVGEW-QFIPXVFZSA-N 0 0 451.567 4.801 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001457412223 1066825327 /nfs/dbraw/zinc/82/53/27/1066825327.db2.gz UFEHHINVGVOZGY-WBVHZDCISA-N 0 0 456.505 4.670 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CSc2nccn2-c2ccccc2C)CC1 ZINC001457413655 1066825351 /nfs/dbraw/zinc/82/53/51/1066825351.db2.gz QAUJSILFARSMFG-UHFFFAOYSA-N 0 0 458.628 4.521 20 0 JJADRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 ZINC001457413815 1066825402 /nfs/dbraw/zinc/82/54/02/1066825402.db2.gz SLZBWRJGIYPDMK-UHFFFAOYSA-N 0 0 457.571 4.732 20 0 JJADRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)Oc1ccccc1F ZINC001545997940 1066825373 /nfs/dbraw/zinc/82/53/73/1066825373.db2.gz YYWHHEFPWQFESX-QFIPXVFZSA-N 0 0 485.648 4.845 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCOc2cccc(Cl)c2)cs1 ZINC001492682446 1066825446 /nfs/dbraw/zinc/82/54/46/1066825446.db2.gz YGCFOORKCXQKGF-HXUWFJFHSA-N 0 0 476.046 4.618 20 0 JJADRN Cc1nc(Cc2nnc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2CCCOCC(C)C)cs1 ZINC001492683306 1066825915 /nfs/dbraw/zinc/82/59/15/1066825915.db2.gz USESFQHKJFCGSH-QFIPXVFZSA-N 0 0 490.073 4.928 20 0 JJADRN Cc1nc(CCC(=O)Nc2ccc3c(c2)N(C)CCO3)oc1-c1ccc(Br)cc1 ZINC001457415219 1066825960 /nfs/dbraw/zinc/82/59/60/1066825960.db2.gz MOGHAWJILPCQCI-UHFFFAOYSA-N 0 0 456.340 4.812 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2nc(C(F)(F)F)cs2)cs1 ZINC001492683578 1066825922 /nfs/dbraw/zinc/82/59/22/1066825922.db2.gz CAOYDGPPSDURFA-AWEZNQCLSA-N 0 0 488.630 4.735 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCOc2ccc(F)cc2)cs1 ZINC001492683576 1066826066 /nfs/dbraw/zinc/82/60/66/1066826066.db2.gz BZWOKJIHCMHWSF-NRFANRHFSA-N 0 0 475.659 4.820 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCOc2ccc(F)c(F)c2)cs1 ZINC001492683663 1066826607 /nfs/dbraw/zinc/82/66/07/1066826607.db2.gz FEEBJILYPCAGHV-HXUWFJFHSA-N 0 0 479.622 4.569 20 0 JJADRN Cc1cc(C(=O)Nc2n[nH]c(C)c2-c2ccc(Br)cc2)c(C)n1-c1ccn(C)n1 ZINC001457417022 1066826730 /nfs/dbraw/zinc/82/67/30/1066826730.db2.gz LNGAXDSZMNUTGI-UHFFFAOYSA-N 0 0 453.344 4.541 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545998000 1066826748 /nfs/dbraw/zinc/82/67/48/1066826748.db2.gz ZUWHHGXYVHYKFR-YMPZKCBVSA-N 0 0 485.673 4.732 20 0 JJADRN O=C([C@H](O)CCc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447592079 1066826813 /nfs/dbraw/zinc/82/68/13/1066826813.db2.gz ZSVCGMSMQVBUCM-RPWUZVMVSA-N 0 0 457.492 4.761 20 0 JJADRN O=C(Nc1ccccc1)c1cccc(C(=O)N[C@H](CCO)c2ccccc2Br)c1 ZINC001447589654 1066826824 /nfs/dbraw/zinc/82/68/24/1066826824.db2.gz WOUIOGWIOHYOQK-OAQYLSRUSA-N 0 0 453.336 4.555 20 0 JJADRN O=C([C@@H](O)CCc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447592067 1066826830 /nfs/dbraw/zinc/82/68/30/1066826830.db2.gz ZSVCGMSMQVBUCM-BJKOFHAPSA-N 0 0 457.492 4.761 20 0 JJADRN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2ccc(OC(F)F)cc2)cs1 ZINC001492683614 1066826755 /nfs/dbraw/zinc/82/67/55/1066826755.db2.gz DEJHAPCUUFBVIY-IBGZPJMESA-N 0 0 479.622 4.861 20 0 JJADRN CCc1ccc(F)cc1C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001457420099 1066827494 /nfs/dbraw/zinc/82/74/94/1066827494.db2.gz AKAIAPOJOGKGEL-UHFFFAOYSA-N 0 0 453.295 4.676 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC001447604980 1066827935 /nfs/dbraw/zinc/82/79/35/1066827935.db2.gz HTJQHUXOQBYUOJ-QHCPKHFHSA-N 0 0 453.970 4.571 20 0 JJADRN Cc1cc(C)cc(C(=O)NCC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c1 ZINC001457421962 1066828019 /nfs/dbraw/zinc/82/80/19/1066828019.db2.gz GESLRLBHNJXKPL-UHFFFAOYSA-N 0 0 450.848 4.734 20 0 JJADRN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC001457422754 1066828665 /nfs/dbraw/zinc/82/86/65/1066828665.db2.gz QXYZRVIYLRTYGL-UHFFFAOYSA-N 0 0 452.864 4.946 20 0 JJADRN O=C(c1cccc(F)c1Cl)N1CCC(Oc2ccccc2I)CC1 ZINC001457423163 1066828798 /nfs/dbraw/zinc/82/87/98/1066828798.db2.gz RIEVGNSESIXJMI-UHFFFAOYSA-N 0 0 459.686 4.767 20 0 JJADRN COc1ccc(-c2csc(CNC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)c2)cc1 ZINC001457423025 1066828810 /nfs/dbraw/zinc/82/88/10/1066828810.db2.gz BHGSXYNEUKTFLC-UHFFFAOYSA-N 0 0 458.465 4.953 20 0 JJADRN CCOC1(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)CCCC1 ZINC001457426144 1066829693 /nfs/dbraw/zinc/82/96/93/1066829693.db2.gz DSWIJUPZLYNSMM-HXUWFJFHSA-N 0 0 458.599 4.745 20 0 JJADRN Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)c2nccs2)cs1 ZINC001492685373 1066829728 /nfs/dbraw/zinc/82/97/28/1066829728.db2.gz UKOWWQOJMTWMHS-QGZVFWFLSA-N 0 0 495.678 4.851 20 0 JJADRN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)Oc3ccccc3F)C2)no1 ZINC001492685379 1066829819 /nfs/dbraw/zinc/82/98/19/1066829819.db2.gz ULHUWGORLBGAQW-PKOBYXMFSA-N 0 0 470.593 4.624 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C ZINC001447618239 1066829637 /nfs/dbraw/zinc/82/96/37/1066829637.db2.gz GOIINCDQTSDXAZ-NRFANRHFSA-N 0 0 452.599 4.720 20 0 JJADRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001545997510 1066829684 /nfs/dbraw/zinc/82/96/84/1066829684.db2.gz QASFZNLTELOJIE-PKOBYXMFSA-N 0 0 471.543 4.546 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC001457427492 1066830239 /nfs/dbraw/zinc/83/02/39/1066830239.db2.gz JWACIZQCRMBFDM-SANMLTNESA-N 0 0 458.558 4.519 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 ZINC001457428640 1066830335 /nfs/dbraw/zinc/83/03/35/1066830335.db2.gz OCKAHDVKFLGHHB-KRWDZBQOSA-N 0 0 457.621 4.997 20 0 JJADRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 ZINC001457428648 1066830413 /nfs/dbraw/zinc/83/04/13/1066830413.db2.gz OCKAHDVKFLGHHB-QGZVFWFLSA-N 0 0 457.621 4.997 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)C3(C)CC(F)(F)C3)CC2)Oc2ccccc21 ZINC001457427717 1066830455 /nfs/dbraw/zinc/83/04/55/1066830455.db2.gz KVSJTCWKXZFWBU-KRWDZBQOSA-N 0 0 450.526 4.832 20 0 JJADRN O=C(Nc1cc2c(cc1NC(=O)c1nc(Cl)ccc1Cl)OCCO2)c1cccs1 ZINC001457430475 1066830942 /nfs/dbraw/zinc/83/09/42/1066830942.db2.gz XVSQSERFYGAEGD-UHFFFAOYSA-N 0 0 450.303 4.726 20 0 JJADRN O=Cc1ccc(OCC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(Br)c1 ZINC001447623872 1066830972 /nfs/dbraw/zinc/83/09/72/1066830972.db2.gz CKNJBQAJZMMXGM-OAHLLOKOSA-N 0 0 456.258 4.675 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)n[nH]1 ZINC001492686385 1066830903 /nfs/dbraw/zinc/83/09/03/1066830903.db2.gz AHJAEPCVMFHPII-IPFXWSOASA-N 0 0 451.619 4.719 20 0 JJADRN Cc1nc(Cc2nnc(N3C[C@H]4C[C@]3(C)CCC4)n2CC(F)(F)CNC(=O)OC(C)(C)C)cs1 ZINC001492686319 1066830962 /nfs/dbraw/zinc/83/09/62/1066830962.db2.gz YTJICCAMGXDPBW-ZHRRBRCNSA-N 0 0 496.628 4.563 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)n[nH]1 ZINC001492686897 1066831444 /nfs/dbraw/zinc/83/14/44/1066831444.db2.gz OCVPGHYNRUYBJE-MRXNPFEDSA-N 0 0 469.977 4.749 20 0 JJADRN Cc1ccc(I)c(OC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)c1 ZINC001457438670 1066831898 /nfs/dbraw/zinc/83/18/98/1066831898.db2.gz BYCNRKWWGPFHAY-UHFFFAOYSA-N 0 0 459.283 4.587 20 0 JJADRN O=C(CCN1C(=O)CCc2cc(F)ccc21)Nc1ncccc1OCc1cccc(Cl)c1 ZINC001457439514 1066831987 /nfs/dbraw/zinc/83/19/87/1066831987.db2.gz VLZRGAJZDXLTSB-UHFFFAOYSA-N 0 0 453.901 4.761 20 0 JJADRN CC[C@@H](NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)c1noc(C)n1 ZINC001457439642 1066831994 /nfs/dbraw/zinc/83/19/94/1066831994.db2.gz MKLIIIPHBXBIFR-MRXNPFEDSA-N 0 0 457.556 4.653 20 0 JJADRN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](COC(C)C)C2)cs1 ZINC001492686916 1066831936 /nfs/dbraw/zinc/83/19/36/1066831936.db2.gz OONMRQXBVIWVAF-OFNKIYASSA-N 0 0 499.681 4.673 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@@H](C(C)C)C2)cs1 ZINC001492687077 1066831957 /nfs/dbraw/zinc/83/19/57/1066831957.db2.gz AECYEUUOAMFNMJ-GOSISDBHSA-N 0 0 495.516 4.632 20 0 JJADRN CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC)NC(=O)OC(C)(C)C ZINC001545998935 1066832020 /nfs/dbraw/zinc/83/20/20/1066832020.db2.gz FIJKKOLOGBRUNI-OAQYLSRUSA-N 0 0 496.681 4.926 20 0 JJADRN Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCS[C@H](C(C)C)C2)cs1 ZINC001492687078 1066832073 /nfs/dbraw/zinc/83/20/73/1066832073.db2.gz AECYEUUOAMFNMJ-SFHVURJKSA-N 0 0 495.516 4.632 20 0 JJADRN CCCc1c(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)cnn1-c1ccccc1C ZINC001457442149 1066832509 /nfs/dbraw/zinc/83/25/09/1066832509.db2.gz SJWWLFZVEKONKJ-UHFFFAOYSA-N 0 0 458.440 4.735 20 0 JJADRN O=C(C/C=C\c1ccc(Br)cc1)Nc1ccc(I)cc1O ZINC001447631431 1066832560 /nfs/dbraw/zinc/83/25/60/1066832560.db2.gz SLFHMLGDZQWOHB-UPHRSURJSA-N 0 0 458.093 4.801 20 0 JJADRN CCCCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)C1(C)C ZINC001457448755 1066832942 /nfs/dbraw/zinc/83/29/42/1066832942.db2.gz OGFDQKWSDUASSJ-XZOQPEGZSA-N 0 0 458.624 4.615 20 0 JJADRN CCCCO[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)C1(C)C ZINC001457448727 1066832960 /nfs/dbraw/zinc/83/29/60/1066832960.db2.gz OGFDQKWSDUASSJ-GOTSBHOMSA-N 0 0 458.624 4.615 20 0 JJADRN Cc1nc(CCn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H]2CCSC2)cs1 ZINC001492687521 1066832981 /nfs/dbraw/zinc/83/29/81/1066832981.db2.gz IHEKILBISBFENB-QGZVFWFLSA-N 0 0 464.458 4.657 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)Oc2cc(C)ccc2I)c1 ZINC001457450446 1066833723 /nfs/dbraw/zinc/83/37/23/1066833723.db2.gz YKWAHFZKHNDVPC-UHFFFAOYSA-N 0 0 452.166 4.726 20 0 JJADRN O=C(c1ccc(COc2ccccc2Br)cc1)N1NC(=O)C[C@H]1c1ccccc1 ZINC001457451396 1066833750 /nfs/dbraw/zinc/83/37/50/1066833750.db2.gz LJYAYIMZVWUGIC-FQEVSTJZSA-N 0 0 451.320 4.647 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N(C)[C@H]2CCOC2)cs1 ZINC001492687724 1066833897 /nfs/dbraw/zinc/83/38/97/1066833897.db2.gz OCFLKBSAFWXLBM-HNNXBMFYSA-N 0 0 482.835 4.594 20 0 JJADRN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)n1 ZINC001457457050 1066834100 /nfs/dbraw/zinc/83/41/00/1066834100.db2.gz JNAOKPREJZUPJY-UHFFFAOYSA-N 0 0 454.458 4.648 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001447637662 1066834128 /nfs/dbraw/zinc/83/41/28/1066834128.db2.gz ZOYSQSHJLZHWCJ-GUDVDZBRSA-N 0 0 456.505 4.689 20 0 JJADRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457455899 1066834156 /nfs/dbraw/zinc/83/41/56/1066834156.db2.gz AWGIVAVXLSGDNS-HOYKHHGWSA-N 0 0 451.954 4.667 20 0 JJADRN CC(C)Oc1cc(O)ccc1NC(=O)CCCOc1ccc(I)cc1 ZINC001447638590 1066834210 /nfs/dbraw/zinc/83/42/10/1066834210.db2.gz FKGBQFFGCVIGMF-UHFFFAOYSA-N 0 0 455.292 4.582 20 0 JJADRN CCc1noc(-c2ccc(NC(=O)C(F)(F)c3ncccc3Br)c(Cl)c2)n1 ZINC001447637830 1066834279 /nfs/dbraw/zinc/83/42/79/1066834279.db2.gz YRRHDRMFUZXLHW-UHFFFAOYSA-N 0 0 457.662 4.840 20 0 JJADRN CC(C)Oc1cc(O)ccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001447640141 1066834302 /nfs/dbraw/zinc/83/43/02/1066834302.db2.gz OCGWJMQFRGEOND-UHFFFAOYSA-N 0 0 450.457 4.689 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(OC(C)C)CC1)Oc1cccc(F)c1 ZINC001545998983 1066834349 /nfs/dbraw/zinc/83/43/49/1066834349.db2.gz GELGYFLTRHYRNI-QFIPXVFZSA-N 0 0 467.589 4.654 20 0 JJADRN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001457458524 1066834713 /nfs/dbraw/zinc/83/47/13/1066834713.db2.gz BCYQQFQCRNPKTM-UHFFFAOYSA-N 0 0 458.606 4.747 20 0 JJADRN CN(C(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457458750 1066834815 /nfs/dbraw/zinc/83/48/15/1066834815.db2.gz TXDDPXGTSCSROL-CZQLGGELSA-N 0 0 453.926 4.940 20 0 JJADRN CCc1c(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cnn1CCC(C)C ZINC001447647706 1066834999 /nfs/dbraw/zinc/83/49/99/1066834999.db2.gz FPIKUEXDYVLPRY-UHFFFAOYSA-N 0 0 456.587 4.873 20 0 JJADRN Cc1nc(CCn2c(-c3ccccc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cs1 ZINC001492688277 1066835079 /nfs/dbraw/zinc/83/50/79/1066835079.db2.gz JKZPCEMYDARWPE-GOSISDBHSA-N 0 0 451.518 4.500 20 0 JJADRN Cc1nc(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)cs1 ZINC001492688552 1066835109 /nfs/dbraw/zinc/83/51/09/1066835109.db2.gz NNDCUKKVIRSWEI-UHFFFAOYSA-N 0 0 464.010 4.734 20 0 JJADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1 ZINC001457459416 1066835158 /nfs/dbraw/zinc/83/51/58/1066835158.db2.gz XQZJWOIUPFFSOG-UHFFFAOYSA-N 0 0 452.551 4.954 20 0 JJADRN CN(C(=O)c1cc(Br)cnc1Cl)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457459459 1066835247 /nfs/dbraw/zinc/83/52/47/1066835247.db2.gz XXVSENZHCOTPAX-MRXNPFEDSA-N 0 0 452.139 4.803 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1 ZINC001457459583 1066835266 /nfs/dbraw/zinc/83/52/66/1066835266.db2.gz YYLCNLRQDIHACQ-QRQCRPRQSA-N 0 0 454.983 4.817 20 0 JJADRN O=C(NCc1ccccc1)NC1(C(=O)NCC2(c3cccc(F)c3F)CCCC2)CCCC1 ZINC001447649584 1066835298 /nfs/dbraw/zinc/83/52/98/1066835298.db2.gz IRGBROUCYPSYIB-UHFFFAOYSA-N 0 0 455.549 4.705 20 0 JJADRN Cc1nc(CCn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cs1 ZINC001492689882 1066835596 /nfs/dbraw/zinc/83/55/96/1066835596.db2.gz FIUFTEZGRCMRDS-FZKQIMNGSA-N 0 0 453.509 4.650 20 0 JJADRN Cc1nc(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)cs1 ZINC001492690568 1066836297 /nfs/dbraw/zinc/83/62/97/1066836297.db2.gz SBXWXCJGDWRBRB-FQEVSTJZSA-N 0 0 457.619 4.800 20 0 JJADRN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1SCc1cscn1 ZINC001447652846 1066836504 /nfs/dbraw/zinc/83/65/04/1066836504.db2.gz VWIKRUQHCLMGKX-HXUWFJFHSA-N 0 0 455.674 4.783 20 0 JJADRN CC(C)c1ccccc1Nc1ccc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 ZINC001447653071 1066836532 /nfs/dbraw/zinc/83/65/32/1066836532.db2.gz WFFQQMLCNOBJGF-UHFFFAOYSA-N 0 0 457.640 4.876 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1cc(Cl)ccn1 ZINC001457465397 1066836698 /nfs/dbraw/zinc/83/66/98/1066836698.db2.gz PYDCCEOHIRHJFS-VIZOYTHASA-N 0 0 456.738 4.508 20 0 JJADRN COc1cc(C2(C(=O)N(CCO)Cc3cc(Br)cs3)CCCC2)ccc1C ZINC001447653722 1066836800 /nfs/dbraw/zinc/83/68/00/1066836800.db2.gz SCFPGDQDOYKIOV-UHFFFAOYSA-N 0 0 452.414 4.661 20 0 JJADRN Cc1nc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(C)(C)C)C2)n[nH]1 ZINC001492691573 1066836878 /nfs/dbraw/zinc/83/68/78/1066836878.db2.gz KREMFCWVAZWQRV-HNNXBMFYSA-N 0 0 478.428 4.706 20 0 JJADRN Cc1nc(CCn2c(N(C)[C@H](C)c3ccc(F)cc3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001492691919 1066837406 /nfs/dbraw/zinc/83/74/06/1066837406.db2.gz PEEFYYIWVDTOCY-MZNJEOGPSA-N 0 0 473.618 4.663 20 0 JJADRN COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 ZINC001457469681 1066837862 /nfs/dbraw/zinc/83/78/62/1066837862.db2.gz KMAQIXLQMXDBSS-JTSKRJEESA-N 0 0 452.551 4.655 20 0 JJADRN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C)C1 ZINC001457470903 1066837868 /nfs/dbraw/zinc/83/78/68/1066837868.db2.gz MIANMSYCHAACMV-HKUYNNGSSA-N 0 0 455.396 4.756 20 0 JJADRN Cc1cc(C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nn1-c1ccc(C)cc1 ZINC001447658274 1066837943 /nfs/dbraw/zinc/83/79/43/1066837943.db2.gz AYJREFFWCAONLK-UHFFFAOYSA-N 0 0 459.468 4.512 20 0 JJADRN Cc1nc(CN2CCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(C)C)CC2)cs1 ZINC001492692685 1066838030 /nfs/dbraw/zinc/83/80/30/1066838030.db2.gz BCVJFIGXJULJDS-HXUWFJFHSA-N 0 0 468.671 4.778 20 0 JJADRN CCCn1ccc(CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 ZINC001447657681 1066838008 /nfs/dbraw/zinc/83/80/08/1066838008.db2.gz JGIPDWHCIXJKCO-UHFFFAOYSA-N 0 0 454.368 4.772 20 0 JJADRN Cc1nc(CCn2c(CCc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cs1 ZINC001492692337 1066838085 /nfs/dbraw/zinc/83/80/85/1066838085.db2.gz XQKFYJXGYPKOAI-VWLOTQADSA-N 0 0 453.656 4.712 20 0 JJADRN CC[C@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Oc1cccc(C(F)(F)F)c1 ZINC001457471352 1066838476 /nfs/dbraw/zinc/83/84/76/1066838476.db2.gz YPORTSJSBKPGDQ-QVKFZJNVSA-N 0 0 450.482 4.608 20 0 JJADRN COc1cccc([C@@H](NC(=O)CCc2cc(OC)cc(OC)c2)c2cc(F)ccc2OC)c1 ZINC001457471505 1066838597 /nfs/dbraw/zinc/83/85/97/1066838597.db2.gz HDIPLQJCPYTNCT-AREMUKBSSA-N 0 0 453.510 4.699 20 0 JJADRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC001447663235 1066839215 /nfs/dbraw/zinc/83/92/15/1066839215.db2.gz VPTGAEXTYZGWRL-FPLPWBNLSA-N 0 0 454.514 4.863 20 0 JJADRN Cc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)F)c3)CC2)cs1 ZINC001492693915 1066839276 /nfs/dbraw/zinc/83/92/76/1066839276.db2.gz XGJQRALOVMELIJ-UHFFFAOYSA-N 0 0 474.625 4.940 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)C(C)C)cs1 ZINC001492694139 1066839357 /nfs/dbraw/zinc/83/93/57/1066839357.db2.gz DHZSCOHQEFRLRD-NFBKMPQASA-N 0 0 459.591 4.510 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)OC ZINC001545998787 1066839288 /nfs/dbraw/zinc/83/92/88/1066839288.db2.gz BDWNRPQSFPAZMI-HLAWJBBLSA-N 0 0 489.636 4.563 20 0 JJADRN Cc1noc([C@H](OC(=O)c2cc(Br)sc2Br)c2ccccc2)n1 ZINC001457476823 1066839467 /nfs/dbraw/zinc/83/94/67/1066839467.db2.gz JUKZEIQUQUCSST-GFCCVEGCSA-N 0 0 458.131 4.911 20 0 JJADRN CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001545998854 1066839703 /nfs/dbraw/zinc/83/97/03/1066839703.db2.gz CKBRFPSTNKDNOX-AVRDEDQJSA-N 0 0 482.604 4.904 20 0 JJADRN Cc1cccc(COc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1 ZINC001447667900 1066839905 /nfs/dbraw/zinc/83/99/05/1066839905.db2.gz YUWCJUYLAWMJPI-UHFFFAOYSA-N 0 0 458.967 4.529 20 0 JJADRN Cc1nc2ccccc2n1CCCn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001492694265 1066840068 /nfs/dbraw/zinc/84/00/68/1066840068.db2.gz GTQIEGOVDBDAKZ-FQEVSTJZSA-N 0 0 495.672 4.671 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC001492694402 1066840099 /nfs/dbraw/zinc/84/00/99/1066840099.db2.gz LKYRSHGLOAODSA-DYESRHJHSA-N 0 0 497.669 4.626 20 0 JJADRN COC(=O)c1csc(-c2cccc(CNC(=O)c3ccccc3NCc3cccnc3)c2)n1 ZINC001447682681 1066840331 /nfs/dbraw/zinc/84/03/31/1066840331.db2.gz LZIQDPOUESDHJP-UHFFFAOYSA-N 0 0 458.543 4.534 20 0 JJADRN Cc1nc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492694836 1066840391 /nfs/dbraw/zinc/84/03/91/1066840391.db2.gz LTAMKFLVBCLQDD-LJQANCHMSA-N 0 0 492.571 4.784 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C ZINC001447674775 1066840396 /nfs/dbraw/zinc/84/03/96/1066840396.db2.gz DNTOVGWCSVKJQM-JOCHJYFZSA-N 0 0 454.567 4.800 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(Br)c(F)cc1N ZINC001447686056 1066840870 /nfs/dbraw/zinc/84/08/70/1066840870.db2.gz AHXWTAAWDHVIAL-UHFFFAOYSA-N 0 0 450.533 4.859 20 0 JJADRN Cc1nc2ccccc2n1CCn1c(CC(C)C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001492695097 1066840927 /nfs/dbraw/zinc/84/09/27/1066840927.db2.gz ZQKDXEOAAMVTMK-FPOVZHCZSA-N 0 0 495.672 4.574 20 0 JJADRN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001457489749 1066841068 /nfs/dbraw/zinc/84/10/68/1066841068.db2.gz AMNCDSJBYSHMPY-CABCVRRESA-N 0 0 458.630 4.672 20 0 JJADRN CCCc1c(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cnn1-c1ccc(C)cc1 ZINC001447686750 1066841695 /nfs/dbraw/zinc/84/16/95/1066841695.db2.gz GNNXJDBCUYXOKH-UTKZUKDTSA-N 0 0 456.587 4.832 20 0 JJADRN COC(=O)C[C@H](NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC001457490492 1066841782 /nfs/dbraw/zinc/84/17/82/1066841782.db2.gz PGVZCWZDYJETHT-IBGZPJMESA-N 0 0 458.967 4.744 20 0 JJADRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001447690150 1066842135 /nfs/dbraw/zinc/84/21/35/1066842135.db2.gz OGWOVQLFPLRKDX-YWZLYKJASA-N 0 0 457.796 4.708 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001457491484 1066842363 /nfs/dbraw/zinc/84/23/63/1066842363.db2.gz CPDUYXARUBMECZ-SJORKVTESA-N 0 0 451.032 4.822 20 0 JJADRN O=C(N[C@H](C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC001447691989 1066842815 /nfs/dbraw/zinc/84/28/15/1066842815.db2.gz JEZASTHNVKWNPN-VXKWHMMOSA-N 0 0 457.357 4.704 20 0 JJADRN CCc1c(NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001447691142 1066842852 /nfs/dbraw/zinc/84/28/52/1066842852.db2.gz JNULQTMTKUSENT-SFHVURJKSA-N 0 0 459.472 4.500 20 0 JJADRN O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)C(=O)c1ccc(Br)s1 ZINC001457495239 1066843022 /nfs/dbraw/zinc/84/30/22/1066843022.db2.gz JADLLUAZJNXVTE-UHFFFAOYSA-N 0 0 452.717 4.913 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1O ZINC001447696057 1066843921 /nfs/dbraw/zinc/84/39/21/1066843921.db2.gz IAKIQNJVDVYMLK-FQEVSTJZSA-N 0 0 456.292 4.700 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)Oc2ccc(Cl)cc2)s1 ZINC001492695939 1066844045 /nfs/dbraw/zinc/84/40/45/1066844045.db2.gz QPQLDEQTMOHIQD-OAHLLOKOSA-N 0 0 454.987 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2C1 ZINC001457500097 1066844068 /nfs/dbraw/zinc/84/40/68/1066844068.db2.gz PFKSBNSYATVAAB-UHFFFAOYSA-N 0 0 459.959 4.732 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4S[C@@H](C)[C@H]3C)c2)C1 ZINC001457500032 1066844152 /nfs/dbraw/zinc/84/41/52/1066844152.db2.gz VZBJPSHMOLKAOC-HCXYKTFWSA-N 0 0 458.649 4.883 20 0 JJADRN CN(c1ccccc1)c1ccccc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC001447700454 1066844503 /nfs/dbraw/zinc/84/45/03/1066844503.db2.gz XOYGLRPXQWUZFK-GOSISDBHSA-N 0 0 453.380 4.798 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccccc1Br)C1(Cc2cccs2)CCCCC1 ZINC001447700181 1066844522 /nfs/dbraw/zinc/84/45/22/1066844522.db2.gz WXWDDGYUXFXLSP-KRWDZBQOSA-N 0 0 450.442 4.971 20 0 JJADRN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc2cnncc21 ZINC001447699867 1066844568 /nfs/dbraw/zinc/84/45/68/1066844568.db2.gz DSYHLUJIVAFKKW-UHFFFAOYSA-N 0 0 451.280 4.514 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)C(F)(F)c2ccccc2Br)C1 ZINC001447705115 1066845072 /nfs/dbraw/zinc/84/50/72/1066845072.db2.gz BMADPBSLPSBDCF-IBGZPJMESA-N 0 0 459.331 4.543 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](CC)C1)NC(=O)OC(C)(C)C ZINC001545999540 1066845080 /nfs/dbraw/zinc/84/50/80/1066845080.db2.gz PNVKGGSHPGUOCS-MOPGFXCFSA-N 0 0 477.650 4.643 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001545999497 1066845093 /nfs/dbraw/zinc/84/50/93/1066845093.db2.gz OWKYPAIBHXLYAH-PKOBYXMFSA-N 0 0 477.030 4.595 20 0 JJADRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001457505699 1066845274 /nfs/dbraw/zinc/84/52/74/1066845274.db2.gz NMAYZKYNACGEJS-ZACQAIPSSA-N 0 0 457.434 4.805 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)n2)CC1 ZINC001457506235 1066845887 /nfs/dbraw/zinc/84/58/87/1066845887.db2.gz WWVSBAFETIIJFY-FQEVSTJZSA-N 0 0 458.628 4.655 20 0 JJADRN CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 ZINC001457507788 1066846022 /nfs/dbraw/zinc/84/60/22/1066846022.db2.gz RZEBZSWZBWWTJQ-UHFFFAOYSA-N 0 0 453.545 4.639 20 0 JJADRN C[C@H](NC(=O)c1cccnc1OCc1ccccc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC001457507496 1066846051 /nfs/dbraw/zinc/84/60/51/1066846051.db2.gz IAZCONVICXRXMX-AWEZNQCLSA-N 0 0 452.873 4.994 20 0 JJADRN CC(C)c1nnc(NC(=O)CCC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)s1 ZINC001447717152 1066846335 /nfs/dbraw/zinc/84/63/35/1066846335.db2.gz KOXLFXYPJZPAGJ-UHFFFAOYSA-N 0 0 452.983 4.801 20 0 JJADRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)Cc2nc(C3CCCCC3)cs2)cn1 ZINC001447716192 1066846361 /nfs/dbraw/zinc/84/63/61/1066846361.db2.gz HFKBWGWEKJTEJH-QHCPKHFHSA-N 0 0 452.624 4.712 20 0 JJADRN O=C(NCc1cccc(C(F)F)c1)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC001447716195 1066846495 /nfs/dbraw/zinc/84/64/95/1066846495.db2.gz CZDXGBALHLKKFC-ZDUSSCGKSA-N 0 0 457.262 4.958 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545999658 1066846604 /nfs/dbraw/zinc/84/66/04/1066846604.db2.gz RZGQUWAFQIVBGN-LEWJYISDSA-N 0 0 495.624 4.768 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@H]2C)s1 ZINC001492696302 1066846496 /nfs/dbraw/zinc/84/64/96/1066846496.db2.gz IZLOCCLNLKUMNV-VQIMIIECSA-N 0 0 452.628 4.985 20 0 JJADRN CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001457508574 1066846723 /nfs/dbraw/zinc/84/67/23/1066846723.db2.gz BNWPCHIXWGCCTN-GOSISDBHSA-N 0 0 452.473 4.680 20 0 JJADRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cn1 ZINC001447718601 1066847152 /nfs/dbraw/zinc/84/71/52/1066847152.db2.gz MYOSZCVHIGUQMS-HOYKHHGWSA-N 0 0 453.970 4.528 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)s1 ZINC001492696649 1066847670 /nfs/dbraw/zinc/84/76/70/1066847670.db2.gz SRKATIZKRZBBPS-SIKLNZKXSA-N 0 0 482.654 4.610 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)s1 ZINC001492696691 1066847772 /nfs/dbraw/zinc/84/77/72/1066847772.db2.gz UTJUAFASYJWCAX-GOSISDBHSA-N 0 0 491.086 4.549 20 0 JJADRN CSc1nc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c2ccccn12 ZINC001457515636 1066848302 /nfs/dbraw/zinc/84/83/02/1066848302.db2.gz GKFCJHGERMKINO-UHFFFAOYSA-N 0 0 456.980 4.953 20 0 JJADRN CC(C)[C@@](C)(NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1ccc(Br)cc1 ZINC001447727712 1066848303 /nfs/dbraw/zinc/84/83/03/1066848303.db2.gz RYXUQBGZLIQCLP-QPXQOZNCSA-N 0 0 465.432 4.940 20 0 JJADRN O=C(Nc1ccccc1C(=O)NCC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001447729883 1066848340 /nfs/dbraw/zinc/84/83/40/1066848340.db2.gz KIZWHXDMFREJBW-UHFFFAOYSA-N 0 0 453.892 4.596 20 0 JJADRN CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCc2ccccc21)NC(=O)OC(C)(C)C ZINC001545999728 1066848354 /nfs/dbraw/zinc/84/83/54/1066848354.db2.gz SZRPDRQLHPILCE-NFBKMPQASA-N 0 0 476.625 4.691 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCc2ccccc21)NC(=O)OC(C)(C)C ZINC001545999729 1066848370 /nfs/dbraw/zinc/84/83/70/1066848370.db2.gz SZRPDRQLHPILCE-NZQKXSOJSA-N 0 0 476.625 4.691 20 0 JJADRN CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001447727867 1066848386 /nfs/dbraw/zinc/84/83/86/1066848386.db2.gz HRMOCAJDIXKQJA-UHFFFAOYSA-N 0 0 456.514 4.569 20 0 JJADRN COc1ccccc1-c1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(=O)[nH]1 ZINC001457516318 1066848407 /nfs/dbraw/zinc/84/84/07/1066848407.db2.gz YSFWQJLSOOXZDJ-CYBMUJFWSA-N 0 0 450.882 4.657 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCC[C@@H]2C)s1 ZINC001492696801 1066848440 /nfs/dbraw/zinc/84/84/40/1066848440.db2.gz XXMGFILLFIXFRZ-KXNSMUHISA-N 0 0 459.591 4.510 20 0 JJADRN Cc1ncc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)s1 ZINC001492697133 1066848917 /nfs/dbraw/zinc/84/89/17/1066848917.db2.gz JJFDOSXLXKZLMS-SFHVURJKSA-N 0 0 479.507 4.701 20 0 JJADRN COC(=O)Cc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001457517453 1066849736 /nfs/dbraw/zinc/84/97/36/1066849736.db2.gz IXTSHSQLWCIKPO-JOCHJYFZSA-N 0 0 450.922 4.555 20 0 JJADRN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1cnc(OCc2ccccc2)cn1 ZINC001457519479 1066850140 /nfs/dbraw/zinc/85/01/40/1066850140.db2.gz OHKZMZUNWOLAQO-UHFFFAOYSA-N 0 0 452.725 4.825 20 0 JJADRN C[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc32)C[C@H](C)S1=O ZINC001447737671 1066850196 /nfs/dbraw/zinc/85/01/96/1066850196.db2.gz TVLQPQZNIMPADW-GJZGRUSLSA-N 0 0 457.393 4.646 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC(F)(F)Br)s1 ZINC001492697961 1066850186 /nfs/dbraw/zinc/85/01/86/1066850186.db2.gz JBORCMLAQHZESZ-UHFFFAOYSA-N 0 0 478.313 4.536 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCCn2ccnc2C)s1 ZINC001492698008 1066850231 /nfs/dbraw/zinc/85/02/31/1066850231.db2.gz KMRNZXYEYQHDQV-UHFFFAOYSA-N 0 0 470.046 4.909 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2ccc(Br)cc2)s1 ZINC001492697930 1066850290 /nfs/dbraw/zinc/85/02/90/1066850290.db2.gz IGSLNVOFRCMTMS-QGZVFWFLSA-N 0 0 476.444 4.579 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCCC2)s1 ZINC001492698372 1066850911 /nfs/dbraw/zinc/85/09/11/1066850911.db2.gz VOVLEZZMXROUEL-IBGZPJMESA-N 0 0 490.674 4.568 20 0 JJADRN Cc1ncc(CN(C)c2nnc(Cc3cccnc3)n2CCc2ccc(OC(F)(F)F)cc2)s1 ZINC001492698223 1066850959 /nfs/dbraw/zinc/85/09/59/1066850959.db2.gz QMHUSRAOZZKERQ-UHFFFAOYSA-N 0 0 488.539 4.807 20 0 JJADRN CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001457522216 1066850904 /nfs/dbraw/zinc/85/09/04/1066850904.db2.gz QUEXNVZJLBIUDA-INIZCTEOSA-N 0 0 457.017 4.508 20 0 JJADRN Cc1ncc(CN(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccsc2)s1 ZINC001492698416 1066851682 /nfs/dbraw/zinc/85/16/82/1066851682.db2.gz WSJOGABBKKZLBT-UHFFFAOYSA-N 0 0 488.683 4.904 20 0 JJADRN COc1ccc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(SC)cc4)C3)s2)cc1 ZINC001457523135 1066851587 /nfs/dbraw/zinc/85/15/87/1066851587.db2.gz ZKQBSDMRKQFCBE-KRWDZBQOSA-N 0 0 452.601 4.815 20 0 JJADRN COc1ccccc1-c1nc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n[nH]1 ZINC001457525738 1066851707 /nfs/dbraw/zinc/85/17/07/1066851707.db2.gz MXBGHMFLKRSEMS-UHFFFAOYSA-N 0 0 455.490 4.798 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCOc1ncccc1Cl)CC1CCCCC1 ZINC001457525297 1066851729 /nfs/dbraw/zinc/85/17/29/1066851729.db2.gz YSGVWGWYKBWXIN-GOSISDBHSA-N 0 0 454.011 4.874 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1Cc1cccs1)NC(=O)OC(C)(C)C ZINC001546000055 1066852160 /nfs/dbraw/zinc/85/21/60/1066852160.db2.gz ZMZIZGHGHSPGBJ-FPOVZHCZSA-N 0 0 496.681 4.840 20 0 JJADRN CO[C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001447749357 1066852385 /nfs/dbraw/zinc/85/23/85/1066852385.db2.gz QEPZPGAHZLFUMH-XHNVNVPESA-N 0 0 450.579 4.624 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC001447753149 1066852857 /nfs/dbraw/zinc/85/28/57/1066852857.db2.gz IAOGIMXKZONIMR-KRWDZBQOSA-N 0 0 456.417 4.504 20 0 JJADRN CCOC(=O)CN(C(=O)COc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 ZINC001457533078 1066853471 /nfs/dbraw/zinc/85/34/71/1066853471.db2.gz OQFBJCKKALJHMG-UHFFFAOYSA-N 0 0 450.240 4.987 20 0 JJADRN CCCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC001447754274 1066853508 /nfs/dbraw/zinc/85/35/08/1066853508.db2.gz JYAJPTWVMSIXKE-JOCHJYFZSA-N 0 0 458.578 4.681 20 0 JJADRN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@H]2CCCCO2)s1 ZINC001492699134 1066854239 /nfs/dbraw/zinc/85/42/39/1066854239.db2.gz YZIALRBDGRFPLE-HMXCVIKNSA-N 0 0 461.676 4.947 20 0 JJADRN Cc1ncc(CN(C)c2nnc(CCc3ccccc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)s1 ZINC001492699058 1066854267 /nfs/dbraw/zinc/85/42/67/1066854267.db2.gz WJLCEHLWCGNXQL-SFHVURJKSA-N 0 0 484.670 4.720 20 0 JJADRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc[nH]c(=O)c1Br ZINC001447755169 1066854177 /nfs/dbraw/zinc/85/41/77/1066854177.db2.gz ZGEBBAQUYXWJEG-LLVKDONJSA-N 0 0 457.168 4.992 20 0 JJADRN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001447756877 1066854216 /nfs/dbraw/zinc/85/42/16/1066854216.db2.gz XKFMKLNVANCYAD-YFXJRYMSSA-N 0 0 455.599 4.711 20 0 JJADRN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001447756862 1066854306 /nfs/dbraw/zinc/85/43/06/1066854306.db2.gz XKFMKLNVANCYAD-LEOXJPRUSA-N 0 0 455.599 4.711 20 0 JJADRN CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001457534357 1066854504 /nfs/dbraw/zinc/85/45/04/1066854504.db2.gz CHJNWYHBARTXDM-RPWUZVMVSA-N 0 0 450.604 4.737 20 0 JJADRN Cc1ncc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(F)F)C2)s1 ZINC001492699244 1066854904 /nfs/dbraw/zinc/85/49/04/1066854904.db2.gz BTGOJDHGMUKFSA-HIFRSBDPSA-N 0 0 451.518 4.852 20 0 JJADRN Cc1ncc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCOc2ccc(F)cc2)s1 ZINC001492699699 1066854985 /nfs/dbraw/zinc/85/49/85/1066854985.db2.gz QKUXNTBQVLNCPH-UHFFFAOYSA-N 0 0 491.390 4.503 20 0 JJADRN CCCOc1ccc(CNC(=O)Cc2cc(OC)ccc2Br)c(OC(F)F)c1 ZINC001457539759 1066855756 /nfs/dbraw/zinc/85/57/56/1066855756.db2.gz GZFJFOBERIFREZ-UHFFFAOYSA-N 0 0 458.299 4.707 20 0 JJADRN Cc1sc(Cl)nc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001447764011 1066855817 /nfs/dbraw/zinc/85/58/17/1066855817.db2.gz SQRNFHIOPCNBCD-GFCCVEGCSA-N 0 0 453.749 4.895 20 0 JJADRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001447763870 1066855823 /nfs/dbraw/zinc/85/58/23/1066855823.db2.gz RVHJFLCGCULMPA-GOSISDBHSA-N 0 0 456.340 4.722 20 0 JJADRN Cc1ncc(Cn2c(-c3ccccc3)nnc2N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC001492700291 1066856077 /nfs/dbraw/zinc/85/60/77/1066856077.db2.gz KRFPZQKVTBSZCE-LJQANCHMSA-N 0 0 482.654 4.842 20 0 JJADRN C=Cc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1 ZINC001457541700 1066856414 /nfs/dbraw/zinc/85/64/14/1066856414.db2.gz KPTRGSBOUHQJCJ-MRXNPFEDSA-N 0 0 456.468 4.917 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOCCC(C)C)CCO1 ZINC001546091848 1066856424 /nfs/dbraw/zinc/85/64/24/1066856424.db2.gz YHBPRIIGDWGFCO-AREMUKBSSA-N 0 0 453.631 4.895 20 0 JJADRN O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457541653 1066856448 /nfs/dbraw/zinc/85/64/48/1066856448.db2.gz KBDDUXWBUQFCNL-UHFFFAOYSA-N 0 0 452.923 4.783 20 0 JJADRN CCCOc1ccc(CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c(OC(F)F)c1 ZINC001457541686 1066856556 /nfs/dbraw/zinc/85/65/56/1066856556.db2.gz MOLQWPPJHXLUHL-UHFFFAOYSA-N 0 0 452.542 4.558 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)s3)nnc2N2C[C@@H](C)S[C@H](C)C2)s1 ZINC001492700627 1066856683 /nfs/dbraw/zinc/85/66/83/1066856683.db2.gz PTBPSRVKBLQSPK-GHMZBOCLSA-N 0 0 470.487 4.913 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(CCCO)CC2)s1 ZINC001492700521 1066856735 /nfs/dbraw/zinc/85/67/35/1066856735.db2.gz ORONOXMEOUUENP-UHFFFAOYSA-N 0 0 494.434 4.649 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@H]2CCOC2)s1 ZINC001492700618 1066856757 /nfs/dbraw/zinc/85/67/57/1066856757.db2.gz PMNFLQVRRVRNOK-LJQANCHMSA-N 0 0 455.628 4.656 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C(F)(F)F ZINC001457543443 1066857166 /nfs/dbraw/zinc/85/71/66/1066857166.db2.gz PJMZORFYVBAULH-HSZRJFAPSA-N 0 0 457.452 4.693 20 0 JJADRN CC[C@]1(C)CN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCC=C(C)C)CCO1 ZINC001546091904 1066857192 /nfs/dbraw/zinc/85/71/92/1066857192.db2.gz ZBLHPJPQHVIVPQ-AREMUKBSSA-N 0 0 464.614 4.598 20 0 JJADRN Cc1ncc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)s1 ZINC001492701094 1066857461 /nfs/dbraw/zinc/85/74/61/1066857461.db2.gz WPDMNPFOPHMYGR-STQMWFEESA-N 0 0 451.568 4.690 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)S[C@@H](C)C2)s1 ZINC001492700947 1066857467 /nfs/dbraw/zinc/85/74/67/1066857467.db2.gz UTSDDFQAKRVNBK-TXEJJXNPSA-N 0 0 482.448 4.990 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3ccc(OCc4ccccn4)cc3)cc2C1 ZINC001447789472 1066857698 /nfs/dbraw/zinc/85/76/98/1066857698.db2.gz BYYMHWNRNNPOOX-UHFFFAOYSA-N 0 0 459.546 4.841 20 0 JJADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001447790307 1066857792 /nfs/dbraw/zinc/85/77/92/1066857792.db2.gz GHOFTJREGFSZJN-GCJKJVERSA-N 0 0 454.567 4.989 20 0 JJADRN Cc1ncc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCOC(C)(C)C2)s1 ZINC001492701149 1066857831 /nfs/dbraw/zinc/85/78/31/1066857831.db2.gz XWHJOTXPXJRHIF-UHFFFAOYSA-N 0 0 482.835 4.789 20 0 JJADRN Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3ccc(C)c(Br)c3C)c1-2 ZINC001457548744 1066857966 /nfs/dbraw/zinc/85/79/66/1066857966.db2.gz DJJNYLCCYVVPLZ-UHFFFAOYSA-N 0 0 456.319 4.887 20 0 JJADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)c12 ZINC001447792093 1066858180 /nfs/dbraw/zinc/85/81/80/1066858180.db2.gz AWSPYAWWAWHHTC-QKKBWIMNSA-N 0 0 451.420 4.551 20 0 JJADRN CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)C1 ZINC001447793525 1066858952 /nfs/dbraw/zinc/85/89/52/1066858952.db2.gz RFWGFLMLNBOBNL-HXUWFJFHSA-N 0 0 452.502 4.924 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001447793925 1066859142 /nfs/dbraw/zinc/85/91/42/1066859142.db2.gz KNAKHFTVBXFKPJ-UHFFFAOYSA-N 0 0 456.505 4.814 20 0 JJADRN Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(F)cc3Cl)CC2)s1 ZINC001492701913 1066859182 /nfs/dbraw/zinc/85/91/82/1066859182.db2.gz KWHOOZXRMOFYCI-UHFFFAOYSA-N 0 0 477.053 4.698 20 0 JJADRN CC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001457552424 1066859297 /nfs/dbraw/zinc/85/92/97/1066859297.db2.gz YFVNIKALWPUWNF-TZIWHRDSSA-N 0 0 458.027 4.678 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001447795483 1066859615 /nfs/dbraw/zinc/85/96/15/1066859615.db2.gz VSZRNQMFEIENOK-CQSZACIVSA-N 0 0 454.411 4.541 20 0 JJADRN Cc1ncc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC001492702021 1066859824 /nfs/dbraw/zinc/85/98/24/1066859824.db2.gz PCLANWLDPONAIZ-GJYPPUQNSA-N 0 0 460.648 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1nnc(SCc3cccs3)s1)C2 ZINC001457553835 1066859902 /nfs/dbraw/zinc/85/99/02/1066859902.db2.gz JGROSZZDAWARCG-XBFCOCLRSA-N 0 0 452.627 4.618 20 0 JJADRN Cc1ncc(Cn2c(N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)nnc2C(C)(C)C)s1 ZINC001492702155 1066859853 /nfs/dbraw/zinc/85/98/53/1066859853.db2.gz UBYGMKVQSQICRL-SFHVURJKSA-N 0 0 465.545 4.986 20 0 JJADRN Cc1c2cc(C(=O)N3CCC(C)(NC(=O)OC(C)(C)C)CC3)[nH]c2ccc1Br ZINC001447796263 1066860210 /nfs/dbraw/zinc/86/02/10/1066860210.db2.gz YJAPOKDBVUAUTJ-UHFFFAOYSA-N 0 0 450.377 4.758 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001492702462 1066860528 /nfs/dbraw/zinc/86/05/28/1066860528.db2.gz FPOLTVGERWIWQN-IRXDYDNUSA-N 0 0 455.628 4.581 20 0 JJADRN Cc1ncc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)CC(C)C)s1 ZINC001492702476 1066860714 /nfs/dbraw/zinc/86/07/14/1066860714.db2.gz FUICDKINPLQPHA-UHFFFAOYSA-N 0 0 450.406 4.525 20 0 JJADRN C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001457558354 1066860701 /nfs/dbraw/zinc/86/07/01/1066860701.db2.gz UYQMMBKEQGJEIO-CQSZACIVSA-N 0 0 451.792 4.970 20 0 JJADRN Cc1ncc(Cn2c(CCCOc3ccc(Cl)cc3C)nnc2N2CCSCC2)s1 ZINC001492703004 1066861137 /nfs/dbraw/zinc/86/11/37/1066861137.db2.gz ZKQJNGSFMXCWAB-UHFFFAOYSA-N 0 0 464.060 4.618 20 0 JJADRN Cc1ccnc2ccc(C(=O)N(C)Cc3cccc(Br)c3OCC(C)(C)O)cc12 ZINC001447800565 1066861482 /nfs/dbraw/zinc/86/14/82/1066861482.db2.gz FQAWMJAUMBFBTH-UHFFFAOYSA-N 0 0 457.368 4.728 20 0 JJADRN COc1ncnc(N(C)C)c1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001457561156 1066861438 /nfs/dbraw/zinc/86/14/38/1066861438.db2.gz LMTUDLYBGYHDRJ-UHFFFAOYSA-N 0 0 451.577 4.584 20 0 JJADRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)CC1 ZINC001447800313 1066861614 /nfs/dbraw/zinc/86/16/14/1066861614.db2.gz YLGAAFHCGDXIRE-UHFFFAOYSA-N 0 0 453.461 4.880 20 0 JJADRN Cc1nccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCCC(C)(C)C)CC2)n1 ZINC001492704117 1066862444 /nfs/dbraw/zinc/86/24/44/1066862444.db2.gz QJBITUSSLMWBAM-UHFFFAOYSA-N 0 0 468.049 4.774 20 0 JJADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)CC1CC(OC(C)(C)C)C1 ZINC001447806363 1066862902 /nfs/dbraw/zinc/86/29/02/1066862902.db2.gz ZFRMDROYZQFXIM-UHFFFAOYSA-N 0 0 456.421 4.541 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 ZINC001492704382 1066863210 /nfs/dbraw/zinc/86/32/10/1066863210.db2.gz AMTCQJMYSNLEDL-GOTSBHOMSA-N 0 0 499.704 4.860 20 0 JJADRN O=C(NCCc1ccc(Cl)nc1)c1cccnc1Oc1ccc(F)cc1Br ZINC001457565053 1066863618 /nfs/dbraw/zinc/86/36/18/1066863618.db2.gz MLDJCMFBSIYWPP-UHFFFAOYSA-N 0 0 450.695 4.796 20 0 JJADRN CCOc1ccc([C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2cccc(Cl)c2)cc1 ZINC001546000607 1066863804 /nfs/dbraw/zinc/86/38/04/1066863804.db2.gz VHJYUSUIEODRTD-QFIPXVFZSA-N 0 0 458.967 4.630 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)OCc3cn(-c4ccc(Cl)cc4)nn3)cc2C1 ZINC001457566597 1066864134 /nfs/dbraw/zinc/86/41/34/1066864134.db2.gz LIYHIKNDPIWENO-UHFFFAOYSA-N 0 0 454.914 4.528 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H](C(C)(C)C)CC3)ccn2)CC1 ZINC001447810402 1066864275 /nfs/dbraw/zinc/86/42/75/1066864275.db2.gz POXKRZMYEJTZML-LEWJYISDSA-N 0 0 458.647 4.864 20 0 JJADRN Cc1nccn1CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492705452 1066864553 /nfs/dbraw/zinc/86/45/53/1066864553.db2.gz GHXCVGZCENLEJO-XXBNENTESA-N 0 0 484.620 4.794 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@H]1C ZINC001492705349 1066864654 /nfs/dbraw/zinc/86/46/54/1066864654.db2.gz CUWXTDAYWRWXQP-CEXWTWQISA-N 0 0 472.634 4.873 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492705450 1066864692 /nfs/dbraw/zinc/86/46/92/1066864692.db2.gz GHXCVGZCENLEJO-CVDCTZTESA-N 0 0 484.620 4.794 20 0 JJADRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c(Br)cccc1Br ZINC001457567041 1066864663 /nfs/dbraw/zinc/86/46/63/1066864663.db2.gz YDKYQAGASVPZHF-UHFFFAOYSA-N 0 0 458.097 4.959 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](OC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC001457567719 1066864739 /nfs/dbraw/zinc/86/47/39/1066864739.db2.gz RFZYWJDQFRTEOV-GOSISDBHSA-N 0 0 456.852 4.910 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 ZINC001457566787 1066864815 /nfs/dbraw/zinc/86/48/15/1066864815.db2.gz OWCHWFWCGKRTTJ-QGZVFWFLSA-N 0 0 457.880 4.679 20 0 JJADRN COc1ccc(NC(=O)CCc2cc(Br)c(Br)s2)c(Cl)n1 ZINC001457567188 1066864830 /nfs/dbraw/zinc/86/48/30/1066864830.db2.gz ZMHNGYOKPBWPKO-UHFFFAOYSA-N 0 0 454.571 4.901 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001492705352 1066864929 /nfs/dbraw/zinc/86/49/29/1066864929.db2.gz CUWXTDAYWRWXQP-QYZOEREBSA-N 0 0 472.634 4.873 20 0 JJADRN COc1cc(CCC(=O)N(C)Cc2nc(C(F)(F)F)cs2)ccc1OCC(F)(F)F ZINC001457567217 1066864902 /nfs/dbraw/zinc/86/49/02/1066864902.db2.gz ZVUOXPRYZIKZRL-UHFFFAOYSA-N 0 0 456.408 4.703 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)sc2c1CCCC2 ZINC001447811795 1066865071 /nfs/dbraw/zinc/86/50/71/1066865071.db2.gz TUVPFPSWSCRMBZ-IBGZPJMESA-N 0 0 454.592 4.919 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1 ZINC001492705460 1066865534 /nfs/dbraw/zinc/86/55/34/1066865534.db2.gz GQPALHXAUWLUQG-IBGZPJMESA-N 0 0 475.460 4.635 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(Br)c(F)cc1F ZINC001447816959 1066865532 /nfs/dbraw/zinc/86/55/32/1066865532.db2.gz NPWIHCPPBXVRFZ-QGZVFWFLSA-N 0 0 455.299 4.802 20 0 JJADRN Cc1nccn1CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC001492705785 1066866243 /nfs/dbraw/zinc/86/62/43/1066866243.db2.gz RCJLUZFGXJMNIK-LJQANCHMSA-N 0 0 475.460 4.635 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)cs1)NC(=O)OC(C)(C)C ZINC001546000766 1066866255 /nfs/dbraw/zinc/86/62/55/1066866255.db2.gz AMINUJGKIKGZJR-IBGZPJMESA-N 0 0 470.643 4.574 20 0 JJADRN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1CSC)Oc1cccc(F)c1 ZINC001546000762 1066866442 /nfs/dbraw/zinc/86/64/42/1066866442.db2.gz AJESOHMTSJTOHS-LEWJYISDSA-N 0 0 455.603 4.592 20 0 JJADRN COCc1[nH]nc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1-c1ccc(Cl)cc1 ZINC001457571113 1066866766 /nfs/dbraw/zinc/86/67/66/1066866766.db2.gz AHLUKWCWUGNHTE-RYRKJORJSA-N 0 0 460.962 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 ZINC001447835123 1066866960 /nfs/dbraw/zinc/86/69/60/1066866960.db2.gz CWHSDCZJHVDUJC-KRWDZBQOSA-N 0 0 456.505 4.913 20 0 JJADRN Cc1nccn1CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001492705960 1066866970 /nfs/dbraw/zinc/86/69/70/1066866970.db2.gz YASOCMIEFOBJQG-FHWLQOOXSA-N 0 0 472.634 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCc3ccccc3OC(F)F)sc2C1 ZINC001447832844 1066867078 /nfs/dbraw/zinc/86/70/78/1066867078.db2.gz YHSXNTBFGCDZGI-UHFFFAOYSA-N 0 0 452.523 4.615 20 0 JJADRN Cc1nccn1CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1 ZINC001492705927 1066867000 /nfs/dbraw/zinc/86/70/00/1066867000.db2.gz WXTDJNGTNATVON-UHFFFAOYSA-N 0 0 486.443 4.786 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706170 1066867398 /nfs/dbraw/zinc/86/73/98/1066867398.db2.gz FGRRBLQSAALCFY-LJQANCHMSA-N 0 0 454.594 4.854 20 0 JJADRN Cc1nccn1CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001492706178 1066867473 /nfs/dbraw/zinc/86/74/73/1066867473.db2.gz FOAXKGGUCSMNKV-ZLNRFVROSA-N 0 0 497.688 4.827 20 0 JJADRN CC(C)[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)C1 ZINC001447840462 1066867582 /nfs/dbraw/zinc/86/75/82/1066867582.db2.gz RAQDDUTWXGOGFL-HXUWFJFHSA-N 0 0 450.608 4.833 20 0 JJADRN Cc1nccn1CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C)C1 ZINC001492706198 1066867591 /nfs/dbraw/zinc/86/75/91/1066867591.db2.gz FYAHTEFSBYHIAP-SFHVURJKSA-N 0 0 487.446 4.841 20 0 JJADRN Cc1nccn1CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492706083 1066867614 /nfs/dbraw/zinc/86/76/14/1066867614.db2.gz BOZZQQPTFHUGLS-UHFFFAOYSA-N 0 0 476.547 4.664 20 0 JJADRN CNc1ncc(C(=O)N2CCCC[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc2)s1 ZINC001447841315 1066867619 /nfs/dbraw/zinc/86/76/19/1066867619.db2.gz SMTNNCSXNHMWHQ-RTBURBONSA-N 0 0 458.628 4.563 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 ZINC001447844589 1066867764 /nfs/dbraw/zinc/86/77/64/1066867764.db2.gz UDHSWFYAZGUSKB-FQEVSTJZSA-N 0 0 451.567 4.708 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001457572870 1066867642 /nfs/dbraw/zinc/86/76/42/1066867642.db2.gz ASNBYZICIDOGTF-FFZOFVMBSA-N 0 0 461.603 4.582 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001457572322 1066867755 /nfs/dbraw/zinc/86/77/55/1066867755.db2.gz OSQGZNGVLNRIQR-VBQJREDUSA-N 0 0 455.049 4.556 20 0 JJADRN Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)c(OCCC(C)C)c1 ZINC001457574938 1066867873 /nfs/dbraw/zinc/86/78/73/1066867873.db2.gz MYWSEPQIWVHBBK-FQEVSTJZSA-N 0 0 452.624 4.957 20 0 JJADRN Cc1nccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001492706395 1066868476 /nfs/dbraw/zinc/86/84/76/1066868476.db2.gz LVGQQZRYPFCMTD-SANMLTNESA-N 0 0 486.611 4.774 20 0 JJADRN COC(=O)Cc1cccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)c1 ZINC001457575337 1066868495 /nfs/dbraw/zinc/86/84/95/1066868495.db2.gz FVJFAJZKSLCVSL-UHFFFAOYSA-N 0 0 454.320 4.996 20 0 JJADRN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001457574868 1066868556 /nfs/dbraw/zinc/86/85/56/1066868556.db2.gz NYXCWWJVWAGZBA-UHFFFAOYSA-N 0 0 454.958 4.614 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 ZINC001447843732 1066868533 /nfs/dbraw/zinc/86/85/33/1066868533.db2.gz WPLIZWXGUQJSAX-OYDLWJJNSA-N 0 0 451.611 4.950 20 0 JJADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846161 1066869030 /nfs/dbraw/zinc/86/90/30/1066869030.db2.gz XUHJLVOXLPKASZ-UYAOXDASSA-N 0 0 453.583 4.750 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC[C@H](C)C3)c2)cc1 ZINC001447846900 1066869068 /nfs/dbraw/zinc/86/90/68/1066869068.db2.gz MYEHUWKCRHXIPL-INIZCTEOSA-N 0 0 450.988 4.802 20 0 JJADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001447846204 1066869097 /nfs/dbraw/zinc/86/90/97/1066869097.db2.gz XZXFAIKFIRIMJF-RXVVDRJESA-N 0 0 453.583 4.750 20 0 JJADRN C[C@H](C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)n1ccc2ccccc2c1=O ZINC001447850011 1066869697 /nfs/dbraw/zinc/86/96/97/1066869697.db2.gz VJZCOVCTUDUOTL-IIBYNOLFSA-N 0 0 453.380 4.853 20 0 JJADRN CC[C@H](C)[C@H](C(=O)NCc1ccc(C)cc1OCCC(C)C)N1C(=O)c2ccccc2C1=O ZINC001457576948 1066869772 /nfs/dbraw/zinc/86/97/72/1066869772.db2.gz SQHGGSCGQXRKNA-YADARESESA-N 0 0 450.579 4.747 20 0 JJADRN CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001447848733 1066869787 /nfs/dbraw/zinc/86/97/87/1066869787.db2.gz TWSLAHAKPUYCQL-UHFFFAOYSA-N 0 0 455.527 4.813 20 0 JJADRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCc1ccccc1OC(F)F ZINC001447848335 1066869801 /nfs/dbraw/zinc/86/98/01/1066869801.db2.gz LACMEJLSHABXKL-UHFFFAOYSA-N 0 0 451.926 4.887 20 0 JJADRN Cc1nccn1CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 ZINC001492707162 1066870175 /nfs/dbraw/zinc/87/01/75/1066870175.db2.gz MWTJHOKRFCZEIN-VQSBYGRUSA-N 0 0 460.985 4.851 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccccc1OC(F)F)c1cccc(Cl)c1 ZINC001447856328 1066870296 /nfs/dbraw/zinc/87/02/96/1066870296.db2.gz XAPVFPBAKMYNSE-SFHVURJKSA-N 0 0 454.901 4.866 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001492707465 1066870638 /nfs/dbraw/zinc/87/06/38/1066870638.db2.gz WOJUNOXPYFXBIE-MRXNPFEDSA-N 0 0 463.449 4.847 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)C1 ZINC001492707418 1066870751 /nfs/dbraw/zinc/87/07/51/1066870751.db2.gz UXOROVCFILQPCA-UHFFFAOYSA-N 0 0 493.837 4.571 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001492708187 1066871415 /nfs/dbraw/zinc/87/14/15/1066871415.db2.gz RZJZPYHFLBSKSQ-RHSMWYFYSA-N 0 0 497.363 4.937 20 0 JJADRN Cn1c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001457583851 1066871426 /nfs/dbraw/zinc/87/14/26/1066871426.db2.gz REBXLMTVWHTJIP-LJQANCHMSA-N 0 0 450.543 4.525 20 0 JJADRN Cn1c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001457583848 1066871452 /nfs/dbraw/zinc/87/14/52/1066871452.db2.gz REBXLMTVWHTJIP-IBGZPJMESA-N 0 0 450.543 4.525 20 0 JJADRN Cc1nccn1CCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001492707660 1066871442 /nfs/dbraw/zinc/87/14/42/1066871442.db2.gz DOOXTPRNTQGCML-UHFFFAOYSA-N 0 0 456.381 4.879 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC001492708287 1066871520 /nfs/dbraw/zinc/87/15/20/1066871520.db2.gz VSVCLWDKVRWWKV-FQEVSTJZSA-N 0 0 473.419 4.514 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1ccc(OCC(C)C)c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC001447864211 1066871589 /nfs/dbraw/zinc/87/15/89/1066871589.db2.gz VFUHGBCZBXWLMN-JOCHJYFZSA-N 0 0 454.350 4.855 20 0 JJADRN Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001492707750 1066871788 /nfs/dbraw/zinc/87/17/88/1066871788.db2.gz GQCPHPBSEDNNIH-VQTJNVASSA-N 0 0 485.677 4.613 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001492708483 1066872075 /nfs/dbraw/zinc/87/20/75/1066872075.db2.gz BUNCSUFYDYJNBH-MRXNPFEDSA-N 0 0 493.439 4.763 20 0 JJADRN C[C@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)c2ccccc2N1Cc1ccccc1 ZINC001447869442 1066872103 /nfs/dbraw/zinc/87/21/03/1066872103.db2.gz IFKJBCSAFJUNQA-GAJHUEQPSA-N 0 0 451.364 4.924 20 0 JJADRN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccoc1 ZINC001492708563 1066872125 /nfs/dbraw/zinc/87/21/25/1066872125.db2.gz DYYYZQHVLNZXKA-UHFFFAOYSA-N 0 0 462.598 4.979 20 0 JJADRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001447868079 1066872230 /nfs/dbraw/zinc/87/22/30/1066872230.db2.gz LAHHWGRLUUOVRF-RUZDIDTESA-N 0 0 458.624 4.845 20 0 JJADRN Cc1nccn1CCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001492708645 1066872462 /nfs/dbraw/zinc/87/24/62/1066872462.db2.gz HMOPLGRKBWNXPO-UHFFFAOYSA-N 0 0 487.505 4.653 20 0 JJADRN Cc1nccn1CCCn1c(C2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001492708351 1066872558 /nfs/dbraw/zinc/87/25/58/1066872558.db2.gz XFESATZKNSCKIU-LJQANCHMSA-N 0 0 485.677 4.661 20 0 JJADRN Cc1ccc(I)cc1NC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001447870088 1066872783 /nfs/dbraw/zinc/87/27/83/1066872783.db2.gz PHKBHQDILCKBGO-SFHVURJKSA-N 0 0 454.695 4.775 20 0 JJADRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(NC(C)=O)ccc2Cl)c1 ZINC001457591899 1066873304 /nfs/dbraw/zinc/87/33/04/1066873304.db2.gz IUMAIEIRZRGKOQ-UHFFFAOYSA-N 0 0 452.894 4.916 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC001447890060 1066873506 /nfs/dbraw/zinc/87/35/06/1066873506.db2.gz FYJBLYYJKMNRNH-UHFFFAOYSA-N 0 0 454.955 4.973 20 0 JJADRN Cc1nccn1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709303 1066873651 /nfs/dbraw/zinc/87/36/51/1066873651.db2.gz FFVNJNFAWCTBJD-SFHVURJKSA-N 0 0 452.578 4.945 20 0 JJADRN Cc1nccn1CCCn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C ZINC001492709333 1066873868 /nfs/dbraw/zinc/87/38/68/1066873868.db2.gz GJKITKKNVLNQHU-FQEVSTJZSA-N 0 0 487.446 4.511 20 0 JJADRN Cc1nccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492709259 1066873961 /nfs/dbraw/zinc/87/39/61/1066873961.db2.gz CVEIOMDLCQTLOS-SFTDATJTSA-N 0 0 485.677 4.818 20 0 JJADRN CCCCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC001457594603 1066873998 /nfs/dbraw/zinc/87/39/98/1066873998.db2.gz PBAMHBNJAWLBIY-OXJNMPFZSA-N 0 0 456.530 4.810 20 0 JJADRN COC(=O)C(C)(C)[C@H](NC(=O)[C@H](C)Sc1ccc(Br)cc1)c1ccccc1 ZINC001457595211 1066874136 /nfs/dbraw/zinc/87/41/36/1066874136.db2.gz IFKNOTZBVJLABF-KBXCAEBGSA-N 0 0 450.398 4.986 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC001447892117 1066874194 /nfs/dbraw/zinc/87/41/94/1066874194.db2.gz ISBPNPZVHCXXOC-HXUWFJFHSA-N 0 0 454.955 4.973 20 0 JJADRN Cc1nccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC001492709737 1066874497 /nfs/dbraw/zinc/87/44/97/1066874497.db2.gz SNASGFQKVNCBGH-HXUWFJFHSA-N 0 0 475.062 4.824 20 0 JJADRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)C2)c1 ZINC001447904762 1066874831 /nfs/dbraw/zinc/87/48/31/1066874831.db2.gz LTPVDZNOFKMUNS-HTAPYJJXSA-N 0 0 459.949 4.632 20 0 JJADRN Cc1ccc(Br)c2[nH]c(C(=O)Nc3cc(-c4ccccc4C)nn3CCO)cc21 ZINC001457596017 1066874775 /nfs/dbraw/zinc/87/47/75/1066874775.db2.gz TVZNWZIZMXOWBX-UHFFFAOYSA-N 0 0 453.340 4.655 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1cccs1 ZINC001492710286 1066875069 /nfs/dbraw/zinc/87/50/69/1066875069.db2.gz JYCRVBLZAGFJJD-UHFFFAOYSA-N 0 0 489.418 4.792 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001492710305 1066875093 /nfs/dbraw/zinc/87/50/93/1066875093.db2.gz KOTDWXUAGGZYLQ-ZIAGYGMSSA-N 0 0 463.811 4.658 20 0 JJADRN Cc1nccn1CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001492710371 1066875153 /nfs/dbraw/zinc/87/51/53/1066875153.db2.gz MWJPYTAFHWOXKV-IBGZPJMESA-N 0 0 457.420 4.785 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC(C)(C)Sc2ccccc21 ZINC001457598251 1066875236 /nfs/dbraw/zinc/87/52/36/1066875236.db2.gz ZTYIILWOKXFKHH-UHFFFAOYSA-N 0 0 454.411 4.692 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(C)C)CC1 ZINC001492710147 1066875336 /nfs/dbraw/zinc/87/53/36/1066875336.db2.gz GALBCNNIVVUKJO-UHFFFAOYSA-N 0 0 475.410 4.924 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)Nc3cc(-c4ccccc4F)no3)cn2)C1 ZINC001457603524 1066875799 /nfs/dbraw/zinc/87/57/99/1066875799.db2.gz CYTHKDOATVUOOG-INIZCTEOSA-N 0 0 455.490 4.502 20 0 JJADRN Cc1nccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492710603 1066875887 /nfs/dbraw/zinc/87/58/87/1066875887.db2.gz VTSUUOWJBKXTAY-KRWDZBQOSA-N 0 0 475.410 4.924 20 0 JJADRN Cc1nccn1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001492710697 1066875968 /nfs/dbraw/zinc/87/59/68/1066875968.db2.gz YSDVUFUDTCBRTG-UHFFFAOYSA-N 0 0 493.843 4.520 20 0 JJADRN CCCCCn1nc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c2ccccc2c1=O ZINC001447916333 1066875898 /nfs/dbraw/zinc/87/58/98/1066875898.db2.gz SGSGSRACKSEORH-UHFFFAOYSA-N 0 0 458.484 4.717 20 0 JJADRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1csc(COc2ccc(F)cc2)n1 ZINC001447916364 1066875915 /nfs/dbraw/zinc/87/59/15/1066875915.db2.gz SJAYUTMTDZNPFJ-UHFFFAOYSA-N 0 0 451.445 4.991 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccc(OC)c(Cl)c1 ZINC001447910321 1066876076 /nfs/dbraw/zinc/87/60/76/1066876076.db2.gz XKCSZPFMGZFGJZ-QRQCRPRQSA-N 0 0 454.910 4.528 20 0 JJADRN CCOc1ccccc1[C@](N)(C(=O)Nc1nnc(-c2ccccc2Cl)s1)C(F)(F)F ZINC001457601032 1066876019 /nfs/dbraw/zinc/87/60/19/1066876019.db2.gz MFDQFRYWNXDYIN-SFHVURJKSA-N 0 0 456.877 4.612 20 0 JJADRN CC[C@@](O)(C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC001447921056 1066876634 /nfs/dbraw/zinc/87/66/34/1066876634.db2.gz PAQIGUNXCMVYLG-BVAGGSTKSA-N 0 0 451.950 4.581 20 0 JJADRN Cc1nccn1CCn1c(CC(C)(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 ZINC001492710798 1066876728 /nfs/dbraw/zinc/87/67/28/1066876728.db2.gz CBAJVRGTOKLHIZ-MRXNPFEDSA-N 0 0 471.447 4.958 20 0 JJADRN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cc(Cl)cc(F)c1Br ZINC001457605750 1066876863 /nfs/dbraw/zinc/87/68/63/1066876863.db2.gz IRCODWXEBQCMKF-UHFFFAOYSA-N 0 0 453.670 4.843 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)Nc3cc(-c4ccccc4F)no3)on2)CC1 ZINC001457610477 1066878036 /nfs/dbraw/zinc/87/80/36/1066878036.db2.gz XZFWIKDPZRNBMM-UHFFFAOYSA-N 0 0 456.474 4.836 20 0 JJADRN O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)[C@@H]1CCc2c1cccc2Cl ZINC001447938185 1066878304 /nfs/dbraw/zinc/87/83/04/1066878304.db2.gz IXAONQRLJBGTOT-QGZVFWFLSA-N 0 0 450.888 4.810 20 0 JJADRN Cc1nccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001492712989 1066878478 /nfs/dbraw/zinc/87/84/78/1066878478.db2.gz TUJNJALFIVLGSD-RLLQIKCJSA-N 0 0 497.619 4.590 20 0 JJADRN Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001492712978 1066878517 /nfs/dbraw/zinc/87/85/17/1066878517.db2.gz SVHDDLYWQCJDHG-RBUKOAKNSA-N 0 0 452.578 4.771 20 0 JJADRN Cc1nccnc1CCn1c(C(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001492712564 1066878587 /nfs/dbraw/zinc/87/85/87/1066878587.db2.gz HODZVARMEKGHPZ-IBGZPJMESA-N 0 0 461.383 4.652 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001492713223 1066879045 /nfs/dbraw/zinc/87/90/45/1066879045.db2.gz AWZSQCGSDDLIQH-OAHLLOKOSA-N 0 0 498.454 4.745 20 0 JJADRN Cc1nccnc1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492713428 1066879097 /nfs/dbraw/zinc/87/90/97/1066879097.db2.gz JMIFPQUSVLDSFX-INIZCTEOSA-N 0 0 495.347 4.827 20 0 JJADRN O=C(CCc1ccc(Cl)s1)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457614985 1066879137 /nfs/dbraw/zinc/87/91/37/1066879137.db2.gz MOSQFHJEHCGNBW-UHFFFAOYSA-N 0 0 457.724 4.968 20 0 JJADRN CN(C(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001447940748 1066879290 /nfs/dbraw/zinc/87/92/90/1066879290.db2.gz IUNFYOYFXDBLDH-RJOJHWARSA-N 0 0 452.334 4.672 20 0 JJADRN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC001457615233 1066879755 /nfs/dbraw/zinc/87/97/55/1066879755.db2.gz NENNXDWMROEUNS-SUMWQHHRSA-N 0 0 453.324 4.605 20 0 JJADRN CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447945773 1066880052 /nfs/dbraw/zinc/88/00/52/1066880052.db2.gz MXZHKGNLBVPSCV-NIKGAXFTSA-N 0 0 455.179 4.902 20 0 JJADRN CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1 ZINC001447949664 1066880402 /nfs/dbraw/zinc/88/04/02/1066880402.db2.gz ZCYHBQAAFYPWJP-UHFFFAOYSA-N 0 0 454.617 4.897 20 0 JJADRN CSCc1cccc(CNC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)c1 ZINC001447949305 1066880548 /nfs/dbraw/zinc/88/05/48/1066880548.db2.gz XJSOIGOLSNMNSG-UHFFFAOYSA-N 0 0 452.667 4.542 20 0 JJADRN COc1ccccc1[C@](N)(C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)C(F)(F)F ZINC001457617933 1066881187 /nfs/dbraw/zinc/88/11/87/1066881187.db2.gz LENYBYVADQYAKF-QPPBQGQZSA-N 0 0 458.480 4.716 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001447952330 1066881321 /nfs/dbraw/zinc/88/13/21/1066881321.db2.gz VJXOCKMFOBBCBX-WOJBJXKFSA-N 0 0 450.753 4.871 20 0 JJADRN Cc1nccnc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001492714518 1066881436 /nfs/dbraw/zinc/88/14/36/1066881436.db2.gz LMKOVIHZFNSEME-UHFFFAOYSA-N 0 0 469.033 4.647 20 0 JJADRN Cc1nccnc1CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001492714808 1066881467 /nfs/dbraw/zinc/88/14/67/1066881467.db2.gz RYWFHQMTJGFDGC-SFHVURJKSA-N 0 0 455.006 4.724 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)CCO1 ZINC001546092939 1066881680 /nfs/dbraw/zinc/88/16/80/1066881680.db2.gz HVPCRZPPHKWVHF-CVDCTZTESA-N 0 0 482.547 4.823 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC001447955168 1066881709 /nfs/dbraw/zinc/88/17/09/1066881709.db2.gz GEICKTMQYWUHJG-LEWJYISDSA-N 0 0 454.567 4.597 20 0 JJADRN Cc1nccnc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492715742 1066881980 /nfs/dbraw/zinc/88/19/80/1066881980.db2.gz JKRRIDNFMCUAGO-TYKWCNGQSA-N 0 0 495.672 4.573 20 0 JJADRN CCc1[nH]nc(NC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C ZINC001457621955 1066883189 /nfs/dbraw/zinc/88/31/89/1066883189.db2.gz WJYXJNMGOFHOEU-ZDUSSCGKSA-N 0 0 453.593 4.918 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1=CCCOC1 ZINC001492717178 1066883704 /nfs/dbraw/zinc/88/37/04/1066883704.db2.gz MCNUECGJWJKRLS-UHFFFAOYSA-N 0 0 461.397 4.585 20 0 JJADRN Cc1ccc(CNC(=O)c2cc(Br)cc3cccnc32)c(OC[C@@H]2CCOC2)c1 ZINC001457623572 1066883771 /nfs/dbraw/zinc/88/37/71/1066883771.db2.gz JWVYJJAGFIKPBZ-MRXNPFEDSA-N 0 0 455.352 4.651 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC(C)C ZINC001492717286 1066883801 /nfs/dbraw/zinc/88/38/01/1066883801.db2.gz PUVVSRGUUZAFSH-QGZVFWFLSA-N 0 0 470.687 4.933 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCn1ccnc1C ZINC001492717261 1066883809 /nfs/dbraw/zinc/88/38/09/1066883809.db2.gz PBAVQHMTMBZNIG-LJQANCHMSA-N 0 0 497.047 4.653 20 0 JJADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC001457623054 1066883824 /nfs/dbraw/zinc/88/38/24/1066883824.db2.gz LNFWEPQIJSHGAO-OAQYLSRUSA-N 0 0 452.555 4.909 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC001447964090 1066883841 /nfs/dbraw/zinc/88/38/41/1066883841.db2.gz BOULICMZQSRZMY-MJGOQNOKSA-N 0 0 453.421 4.922 20 0 JJADRN O=C(c1cc2c(cc1Cl)NC(=O)C2)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001447964270 1066884285 /nfs/dbraw/zinc/88/42/85/1066884285.db2.gz OZHMFRDNGDZTTC-UHFFFAOYSA-N 0 0 452.860 4.785 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C ZINC001492717474 1066884925 /nfs/dbraw/zinc/88/49/25/1066884925.db2.gz RTXUOBAQTMOUFL-CQSZACIVSA-N 0 0 468.005 4.994 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2nc(Sc3ccccc3)ns2)c1-c1ccc(F)cc1 ZINC001457626846 1066884989 /nfs/dbraw/zinc/88/49/89/1066884989.db2.gz AVAARKIRJJPBNX-UHFFFAOYSA-N 0 0 458.565 4.666 20 0 JJADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nc(Sc4ccccc4)ns3)C2)c1 ZINC001457628139 1066885002 /nfs/dbraw/zinc/88/50/02/1066885002.db2.gz JRWLRGOLGGSTAE-KRWDZBQOSA-N 0 0 452.605 4.797 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Br)s2)n1CCCOCC1CC1 ZINC001492717825 1066885321 /nfs/dbraw/zinc/88/53/21/1066885321.db2.gz XMGPQYBBVPSHJE-UHFFFAOYSA-N 0 0 493.475 4.573 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@H](F)C1 ZINC001492717905 1066885365 /nfs/dbraw/zinc/88/53/65/1066885365.db2.gz OJBZOGXLULKDGQ-DLBZAZTESA-N 0 0 475.410 4.833 20 0 JJADRN CCOC(=O)C1(N(C)C(=O)c2cc(Br)sc2Br)CCCCC1 ZINC001457629669 1066885595 /nfs/dbraw/zinc/88/55/95/1066885595.db2.gz ZMJLQZKIOCTLCG-UHFFFAOYSA-N 0 0 453.196 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)NC3(Cc4ccccc4)CC3)s2)CC1 ZINC001447972515 1066885538 /nfs/dbraw/zinc/88/55/38/1066885538.db2.gz LZSNQXGUESYVNJ-UHFFFAOYSA-N 0 0 455.624 4.838 20 0 JJADRN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001457630435 1066886146 /nfs/dbraw/zinc/88/61/46/1066886146.db2.gz DZSSMKRGNIAQNJ-UHFFFAOYSA-N 0 0 455.337 4.793 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC001447975505 1066886263 /nfs/dbraw/zinc/88/62/63/1066886263.db2.gz WEQTZYBLRFRMJA-TZIWHRDSSA-N 0 0 457.412 4.899 20 0 JJADRN Cc1coc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)ccc2C)n1 ZINC001457631360 1066886969 /nfs/dbraw/zinc/88/69/69/1066886969.db2.gz YODBHPYDJNAQAM-SFHVURJKSA-N 0 0 453.564 4.774 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001492718586 1066887253 /nfs/dbraw/zinc/88/72/53/1066887253.db2.gz KUBJIDJLZFFOQW-JOCHJYFZSA-N 0 0 499.704 4.645 20 0 JJADRN CC(C)OC1(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CCCCC1 ZINC001457632964 1066887271 /nfs/dbraw/zinc/88/72/71/1066887271.db2.gz NSBNGBNBVQLBBO-DHIUTWEWSA-N 0 0 458.643 4.956 20 0 JJADRN COCc1nocc1C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC001457635627 1066887936 /nfs/dbraw/zinc/88/79/36/1066887936.db2.gz RWKZJYJXLDJKTB-UHFFFAOYSA-N 0 0 456.252 4.520 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1 ZINC001457634614 1066887963 /nfs/dbraw/zinc/88/79/63/1066887963.db2.gz JLRPVZNJPVZYLA-QPPBQGQZSA-N 0 0 450.485 4.569 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001492719051 1066887957 /nfs/dbraw/zinc/88/79/57/1066887957.db2.gz YAAGBCLEYNLOOV-HOYKHHGWSA-N 0 0 468.621 4.590 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1 ZINC001457634627 1066888057 /nfs/dbraw/zinc/88/80/57/1066888057.db2.gz JLRPVZNJPVZYLA-XUZZJYLKSA-N 0 0 450.485 4.569 20 0 JJADRN Cc1ccn2c(c1)nnc2NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001457634377 1066888090 /nfs/dbraw/zinc/88/80/90/1066888090.db2.gz PPCCWQWVQAHFAF-UHFFFAOYSA-N 0 0 454.334 4.513 20 0 JJADRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC001457633735 1066888099 /nfs/dbraw/zinc/88/80/99/1066888099.db2.gz HWUMEZBHTKIHMQ-NRFANRHFSA-N 0 0 456.876 4.733 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)C)nc1 ZINC001492719086 1066888325 /nfs/dbraw/zinc/88/83/25/1066888325.db2.gz ZGVRGTCAAYPDLW-UHFFFAOYSA-N 0 0 494.043 4.740 20 0 JJADRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001457635710 1066888456 /nfs/dbraw/zinc/88/84/56/1066888456.db2.gz YUXBRICCUGFCJN-NSHDSACASA-N 0 0 453.770 4.661 20 0 JJADRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001457635722 1066888551 /nfs/dbraw/zinc/88/85/51/1066888551.db2.gz SMZAFSSEBIIJDC-UHFFFAOYSA-N 0 0 456.901 4.631 20 0 JJADRN CCCCn1ccnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001457636042 1066888590 /nfs/dbraw/zinc/88/85/90/1066888590.db2.gz JGLNSBZPAGVCCM-UHFFFAOYSA-N 0 0 451.470 4.896 20 0 JJADRN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 ZINC001546002016 1066888675 /nfs/dbraw/zinc/88/86/75/1066888675.db2.gz YFEWQLCLWSVAPU-NBGIEHNGSA-N 0 0 487.570 4.987 20 0 JJADRN C[C@@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccc2ncsc2c1 ZINC001448001945 1066889474 /nfs/dbraw/zinc/88/94/74/1066889474.db2.gz CYZWBXNLBPILOG-OAHLLOKOSA-N 0 0 453.564 4.917 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001492720409 1066890012 /nfs/dbraw/zinc/89/00/12/1066890012.db2.gz OAQQTCZUKQPQFL-VQIMIIECSA-N 0 0 454.594 4.828 20 0 JJADRN CC[C@H](CN(CC)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccccc1 ZINC001448011910 1066890030 /nfs/dbraw/zinc/89/00/30/1066890030.db2.gz HBORFSGXGPQPJF-LJQANCHMSA-N 0 0 456.633 4.883 20 0 JJADRN C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cc(Cl)c4ccccc4c3[O-])cc2)CC1 ZINC001457645813 1066890325 /nfs/dbraw/zinc/89/03/25/1066890325.db2.gz NYILEYHOGGBGHF-UHFFFAOYSA-N 0 0 452.942 4.667 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cc1F ZINC001492720582 1066890553 /nfs/dbraw/zinc/89/05/53/1066890553.db2.gz TXIOHURZZAFQOH-DENIHFKCSA-N 0 0 472.584 4.510 20 0 JJADRN Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccccc1F ZINC001492720734 1066890910 /nfs/dbraw/zinc/89/09/10/1066890910.db2.gz ZIOYNAQQBHWKTI-WPSZSDGUSA-N 0 0 498.647 4.790 20 0 JJADRN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(Br)c1 ZINC001457655789 1066890908 /nfs/dbraw/zinc/89/09/08/1066890908.db2.gz SKXOHQOFWGBVRC-MRXNPFEDSA-N 0 0 451.792 4.523 20 0 JJADRN CC[C@@]1(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC001448021145 1066890866 /nfs/dbraw/zinc/89/08/66/1066890866.db2.gz MDRLWKQBCYCCOY-AOMKIAJQSA-N 0 0 455.521 4.580 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C(C)C ZINC001492720923 1066891427 /nfs/dbraw/zinc/89/14/27/1066891427.db2.gz GAYZQKZJBUUYOY-FQEVSTJZSA-N 0 0 457.420 4.731 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C(C)C ZINC001492720924 1066891590 /nfs/dbraw/zinc/89/15/90/1066891590.db2.gz GAYZQKZJBUUYOY-HXUWFJFHSA-N 0 0 457.420 4.731 20 0 JJADRN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001457662365 1066892770 /nfs/dbraw/zinc/89/27/70/1066892770.db2.gz IBJOYVHPLZHKGU-UHFFFAOYSA-N 0 0 459.296 4.915 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001492721436 1066892659 /nfs/dbraw/zinc/89/26/59/1066892659.db2.gz YQARNCCIJKRLOT-INIZCTEOSA-N 0 0 452.912 4.776 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001492721455 1066892798 /nfs/dbraw/zinc/89/27/98/1066892798.db2.gz ZJUHMFPTRDLNFU-GOSISDBHSA-N 0 0 471.447 4.979 20 0 JJADRN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001457662416 1066892828 /nfs/dbraw/zinc/89/28/28/1066892828.db2.gz VYMOEQVDWPJXLX-MLGOLLRUSA-N 0 0 459.413 4.826 20 0 JJADRN Cc1ccc(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(OCC(F)(F)F)c1 ZINC001457663791 1066893228 /nfs/dbraw/zinc/89/32/28/1066893228.db2.gz PWZGQTDKHXPEJQ-UHFFFAOYSA-N 0 0 454.533 4.808 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c(COc2ccccc2F)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492722592 1066893945 /nfs/dbraw/zinc/89/39/45/1066893945.db2.gz IGFJANHHZFGMDA-UHFFFAOYSA-N 0 0 452.578 4.577 20 0 JJADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC001448050699 1066893981 /nfs/dbraw/zinc/89/39/81/1066893981.db2.gz BPOKICXRZALRGR-IBGZPJMESA-N 0 0 454.983 4.897 20 0 JJADRN CC(C)c1ccc(N2CC[C@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 ZINC001448050701 1066894011 /nfs/dbraw/zinc/89/40/11/1066894011.db2.gz BPOKICXRZALRGR-LJQANCHMSA-N 0 0 454.983 4.897 20 0 JJADRN CCOC(=O)C1(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001448053835 1066894568 /nfs/dbraw/zinc/89/45/68/1066894568.db2.gz ZEJOAIVEMAXKJA-UHFFFAOYSA-N 0 0 450.322 4.711 20 0 JJADRN Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 ZINC001492723435 1066894846 /nfs/dbraw/zinc/89/48/46/1066894846.db2.gz NSMUXUILHWAZOV-QUCCMNQESA-N 0 0 483.617 4.539 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001457671057 1066894991 /nfs/dbraw/zinc/89/49/91/1066894991.db2.gz YQUXNAVWMLXTFX-ZDUSSCGKSA-N 0 0 457.353 4.901 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(C)(C)CC2)n(C)n1 ZINC001492724594 1066895384 /nfs/dbraw/zinc/89/53/84/1066895384.db2.gz GEWRFLBHLLJVIQ-UHFFFAOYSA-N 0 0 457.420 4.733 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n(C)n1 ZINC001492724557 1066895453 /nfs/dbraw/zinc/89/54/53/1066895453.db2.gz FJLIWKJYWRWXCM-BETUJISGSA-N 0 0 497.363 4.664 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N[C@@H](CC(N)=O)c1ccccc1Cl ZINC001457676890 1066895476 /nfs/dbraw/zinc/89/54/76/1066895476.db2.gz AMZCGZGSJOOAIR-HNNXBMFYSA-N 0 0 451.773 4.972 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)n(C)n1 ZINC001492725068 1066895841 /nfs/dbraw/zinc/89/58/41/1066895841.db2.gz RDOOUKHFPRBDTI-OAQYLSRUSA-N 0 0 490.574 4.881 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)n(C)n1 ZINC001492725290 1066895910 /nfs/dbraw/zinc/89/59/10/1066895910.db2.gz ZXWIMCLWDVHISS-UHFFFAOYSA-N 0 0 460.344 4.513 20 0 JJADRN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2ccc(Br)o2)n(C)n1 ZINC001492725054 1066895934 /nfs/dbraw/zinc/89/59/34/1066895934.db2.gz QRTXMJQSOFKIHP-UHFFFAOYSA-N 0 0 493.768 4.820 20 0 JJADRN Cc1nc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)nn1-c1ccc(F)cc1 ZINC001457685785 1066897018 /nfs/dbraw/zinc/89/70/18/1066897018.db2.gz MZDQDULHAFYJOY-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccnc1I ZINC001457685849 1066897121 /nfs/dbraw/zinc/89/71/21/1066897121.db2.gz NRGNQPJQAUTUSZ-KRWDZBQOSA-N 0 0 452.336 4.992 20 0 JJADRN CCOc1ccccc1[C@@](N)(C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)C(F)(F)F ZINC001457685733 1066897164 /nfs/dbraw/zinc/89/71/64/1066897164.db2.gz CALFLMRAKCLULE-HSZRJFAPSA-N 0 0 454.452 4.779 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC001448077542 1066897572 /nfs/dbraw/zinc/89/75/72/1066897572.db2.gz NFBCUOJFIKVPAV-GASCZTMLSA-N 0 0 451.539 4.643 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cn3c(Cc4csc(C)n4)nnc3N(CC(C)C)C(C)C)cn2)n1 ZINC001492728043 1066897586 /nfs/dbraw/zinc/89/75/86/1066897586.db2.gz QRLRWIUKGBJDDV-UHFFFAOYSA-N 0 0 478.670 4.750 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC001457687565 1066897864 /nfs/dbraw/zinc/89/78/64/1066897864.db2.gz MBXKYBRWAHRIAD-FQEVSTJZSA-N 0 0 456.468 4.758 20 0 JJADRN Cc1cc(F)cc(-n2cc(C(=O)Nc3nc(-c4ccccc4)c(Br)s3)nn2)c1 ZINC001457687795 1066897907 /nfs/dbraw/zinc/89/79/07/1066897907.db2.gz PRDOGDZGPCSRLG-UHFFFAOYSA-N 0 0 458.316 4.853 20 0 JJADRN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001448079836 1066898183 /nfs/dbraw/zinc/89/81/83/1066898183.db2.gz ZQVCAWSZUGNXEO-UUOWRZLLSA-N 0 0 455.396 4.776 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)C)nnc1N(C)CCCc1ccccn1 ZINC001492728421 1066898102 /nfs/dbraw/zinc/89/81/02/1066898102.db2.gz CSVZUGPWSWNNHL-UHFFFAOYSA-N 0 0 457.626 4.791 20 0 JJADRN Cc1ccc(OCCCC(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(Cl)c1 ZINC001457689528 1066898323 /nfs/dbraw/zinc/89/83/23/1066898323.db2.gz GHBOGXZVKQRASP-LJQANCHMSA-N 0 0 454.954 4.975 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2ccccc2COC2CCOCC2)cc1 ZINC001457692166 1066898386 /nfs/dbraw/zinc/89/83/86/1066898386.db2.gz SGPVOKOZMZBHEL-UHFFFAOYSA-N 0 0 454.567 4.702 20 0 JJADRN CCCN(C(=O)c1c[nH]c2ccc(Br)cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001457689812 1066898410 /nfs/dbraw/zinc/89/84/10/1066898410.db2.gz PTRMNFPZUIDQCT-HNNXBMFYSA-N 0 0 450.377 4.792 20 0 JJADRN Cc1cc(C)n(-c2ccccc2Cn2c(Cc3ccsc3)nnc2N(C)CCC(F)F)n1 ZINC001492728762 1066898783 /nfs/dbraw/zinc/89/87/83/1066898783.db2.gz LUOCLZLQJRYJSI-UHFFFAOYSA-N 0 0 456.566 4.873 20 0 JJADRN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001457695673 1066898884 /nfs/dbraw/zinc/89/88/84/1066898884.db2.gz NZSIYGWEIKWUQX-UHFFFAOYSA-N 0 0 458.465 4.619 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C)n3Cc3cc(Cl)ccc3OC(F)F)C2)n1 ZINC001492729503 1066899221 /nfs/dbraw/zinc/89/92/21/1066899221.db2.gz DQDHOAWOMMSKPL-GOSISDBHSA-N 0 0 450.921 4.544 20 0 JJADRN CCOCCOc1cc(C)ccc1CNC(=O)COc1ccc(Cl)cc1Br ZINC001457697050 1066899453 /nfs/dbraw/zinc/89/94/53/1066899453.db2.gz ZJJZPPCNFVKMFY-UHFFFAOYSA-N 0 0 456.764 4.521 20 0 JJADRN Cc1nc(C)n([C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492729807 1066899847 /nfs/dbraw/zinc/89/98/47/1066899847.db2.gz KOZSNXPOXFJCEW-APWZRJJASA-N 0 0 477.535 4.647 20 0 JJADRN CC(=O)c1sc(NC(=O)COc2ccc(C=O)cc2Br)nc1-c1ccccc1 ZINC001448106967 1066899960 /nfs/dbraw/zinc/89/99/60/1066899960.db2.gz ASICYZZHKMLHDH-UHFFFAOYSA-N 0 0 459.321 4.605 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)nc2c1 ZINC001448106264 1066900013 /nfs/dbraw/zinc/90/00/13/1066900013.db2.gz RNIUPZCFOSXGCK-NSHDSACASA-N 0 0 458.305 4.952 20 0 JJADRN COC(=O)CC1(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)CCCCC1 ZINC001448101766 1066900066 /nfs/dbraw/zinc/90/00/66/1066900066.db2.gz SCOLJTZUXSOWRW-UHFFFAOYSA-N 0 0 452.267 4.591 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C)n3Cc3ccc([C@@H](F)C(F)(F)F)cc3)C2)n1 ZINC001492729961 1066900391 /nfs/dbraw/zinc/90/03/91/1066900391.db2.gz NPZFMZLDXBHPPR-VQTJNVASSA-N 0 0 450.484 4.863 20 0 JJADRN COc1ccc2[nH]c([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)nc2c1 ZINC001448107159 1066900412 /nfs/dbraw/zinc/90/04/12/1066900412.db2.gz VVKAITLPILSHHT-WDEREUQCSA-N 0 0 452.736 4.632 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457703054 1066900506 /nfs/dbraw/zinc/90/05/06/1066900506.db2.gz OTFLLPCZNBFLJE-UHFFFAOYSA-N 0 0 458.580 4.895 20 0 JJADRN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448107760 1066900518 /nfs/dbraw/zinc/90/05/18/1066900518.db2.gz CJPQKQIGZVZWSK-VGOFRKELSA-N 0 0 454.954 4.787 20 0 JJADRN CN(C)c1ccc(C2CCN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC001448109518 1066900527 /nfs/dbraw/zinc/90/05/27/1066900527.db2.gz GXRNEQHRJJPDRZ-UHFFFAOYSA-N 0 0 457.574 4.681 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)C(C)C)C2)n1 ZINC001492730509 1066900640 /nfs/dbraw/zinc/90/06/40/1066900640.db2.gz XKMQZFCDZOXCHH-RQNQAMLKSA-N 0 0 484.620 4.619 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)C(C)C)C2)n1 ZINC001492730228 1066900680 /nfs/dbraw/zinc/90/06/80/1066900680.db2.gz RITWGAKKTMZUQH-NVQXNPDNSA-N 0 0 472.678 4.656 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)n1 ZINC001492730396 1066900738 /nfs/dbraw/zinc/90/07/38/1066900738.db2.gz VMNSMWIZRBAGQV-QFIPXVFZSA-N 0 0 479.629 4.515 20 0 JJADRN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC001457707400 1066900809 /nfs/dbraw/zinc/90/08/09/1066900809.db2.gz PLWTUCAUMYFTDR-UWJYYQICSA-N 0 0 450.362 4.977 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCOCc1ccccc1 ZINC001457708074 1066901284 /nfs/dbraw/zinc/90/12/84/1066901284.db2.gz VPDDOBCSQOBQQB-NRFANRHFSA-N 0 0 451.394 4.813 20 0 JJADRN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCOc3ccccc3Cl)C2)n1 ZINC001492731045 1066901558 /nfs/dbraw/zinc/90/15/58/1066901558.db2.gz KGENWXVXXXECPQ-LJQANCHMSA-N 0 0 472.037 4.649 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCSC(C)C)C2)n1 ZINC001492731079 1066901662 /nfs/dbraw/zinc/90/16/62/1066901662.db2.gz KWZIELNQTZVVKL-JOCHJYFZSA-N 0 0 456.635 4.804 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCSCC(C)C)C2)n1 ZINC001492731253 1066902073 /nfs/dbraw/zinc/90/20/73/1066902073.db2.gz OZFCVWQBTUWDIQ-NRFANRHFSA-N 0 0 473.716 4.678 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492731234 1066902083 /nfs/dbraw/zinc/90/20/83/1066902083.db2.gz OJWSFOKMKXMYRW-IBGZPJMESA-N 0 0 461.536 4.507 20 0 JJADRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C1([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC1)CC2 ZINC001448119437 1066902085 /nfs/dbraw/zinc/90/20/85/1066902085.db2.gz JROANCMICSURFX-AMGIVPHBSA-N 0 0 456.627 4.846 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC1)CC2 ZINC001448119444 1066902096 /nfs/dbraw/zinc/90/20/96/1066902096.db2.gz JROANCMICSURFX-CUNXSJBXSA-N 0 0 456.627 4.846 20 0 JJADRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC1)CC2 ZINC001448119453 1066902104 /nfs/dbraw/zinc/90/21/04/1066902104.db2.gz JROANCMICSURFX-WXVAWEFUSA-N 0 0 456.627 4.846 20 0 JJADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001492731235 1066902125 /nfs/dbraw/zinc/90/21/25/1066902125.db2.gz OJWSFOKMKXMYRW-LJQANCHMSA-N 0 0 461.536 4.507 20 0 JJADRN CCC[C@@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC001457712185 1066902213 /nfs/dbraw/zinc/90/22/13/1066902213.db2.gz JJLHWGIRLUDXLB-GOSISDBHSA-N 0 0 454.592 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3ccc(F)cc3O)c(Br)c2C1 ZINC001457712587 1066902480 /nfs/dbraw/zinc/90/24/80/1066902480.db2.gz AYSJCZHWWCNUPC-UHFFFAOYSA-N 0 0 457.321 4.858 20 0 JJADRN CC(=O)Nc1sc(NC(=O)CSc2ccc(C(F)(F)F)cn2)nc1-c1ccccc1 ZINC001448125774 1066902488 /nfs/dbraw/zinc/90/24/88/1066902488.db2.gz SAHGZZHMPBBPHI-UHFFFAOYSA-N 0 0 452.483 4.913 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3Cc3ccc(OC(F)F)c(F)c3)C2)n1 ZINC001492731364 1066902491 /nfs/dbraw/zinc/90/24/91/1066902491.db2.gz RMBZGPWEWUEZSQ-IBGZPJMESA-N 0 0 476.547 4.920 20 0 JJADRN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(CSCCO)ccn1 ZINC001457713112 1066902544 /nfs/dbraw/zinc/90/25/44/1066902544.db2.gz DBBQFWNUSKZUFH-UHFFFAOYSA-N 0 0 452.363 4.840 20 0 JJADRN COC(=O)C1(N(C)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)CCCC1 ZINC001457714636 1066902921 /nfs/dbraw/zinc/90/29/21/1066902921.db2.gz IEEOQEZRKSQMNA-UHFFFAOYSA-N 0 0 455.605 4.703 20 0 JJADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCSCC(F)(F)F)C2)n1 ZINC001492731805 1066903317 /nfs/dbraw/zinc/90/33/17/1066903317.db2.gz XPGKYDVBIXICPH-IBGZPJMESA-N 0 0 496.578 4.958 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c1C ZINC001457715429 1066903377 /nfs/dbraw/zinc/90/33/77/1066903377.db2.gz XAUMMKVBYIGAOZ-LBPRGKRZSA-N 0 0 450.345 4.879 20 0 JJADRN O=C(C[C@@H](c1cccs1)n1cccc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC001457716144 1066903385 /nfs/dbraw/zinc/90/33/85/1066903385.db2.gz PAOQKQYGKKWJEG-FQEVSTJZSA-N 0 0 458.425 4.636 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546002967 1066903540 /nfs/dbraw/zinc/90/35/40/1066903540.db2.gz AZBKSLRAKVZVBZ-RTBURBONSA-N 0 0 471.627 4.821 20 0 JJADRN CC[C@@H](Cn1c(CC2CC2)nnc1N1Cc2ccc(Br)cc2C1)NC(=O)OC(C)(C)C ZINC001546002960 1066903549 /nfs/dbraw/zinc/90/35/49/1066903549.db2.gz AXQFHBWWRSRCJV-IBGZPJMESA-N 0 0 490.446 4.817 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492731922 1066903754 /nfs/dbraw/zinc/90/37/54/1066903754.db2.gz GTXFWIWINUZSGH-SFHVURJKSA-N 0 0 479.654 4.845 20 0 JJADRN C[C@@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)c2ccccc21 ZINC001448133129 1066904002 /nfs/dbraw/zinc/90/40/02/1066904002.db2.gz RQHIRFVIEACSGD-MYYSRTQBSA-N 0 0 457.958 4.826 20 0 JJADRN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001457718100 1066904361 /nfs/dbraw/zinc/90/43/61/1066904361.db2.gz ZGPLXILNCNOGML-XJABCFGWSA-N 0 0 450.362 4.900 20 0 JJADRN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001457718093 1066904413 /nfs/dbraw/zinc/90/44/13/1066904413.db2.gz ZGPLXILNCNOGML-WEYGHZABSA-N 0 0 450.362 4.900 20 0 JJADRN COc1ccccc1[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccco1 ZINC001457724403 1066904685 /nfs/dbraw/zinc/90/46/85/1066904685.db2.gz ZNJYEXKKBYHPMI-QFIPXVFZSA-N 0 0 458.436 4.953 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492732530 1066905148 /nfs/dbraw/zinc/90/51/48/1066905148.db2.gz QTCGUBRBQPKWOE-UYAOXDASSA-N 0 0 458.557 4.868 20 0 JJADRN CCOC(=O)C[C@H]1CCCN1C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC001448159785 1066905239 /nfs/dbraw/zinc/90/52/39/1066905239.db2.gz QZKWZZVIYJIFFG-GOSISDBHSA-N 0 0 454.954 4.932 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@](C)(O)c2cccs2)n1 ZINC001492732690 1066905570 /nfs/dbraw/zinc/90/55/70/1066905570.db2.gz TXPYEPPRNNSMIO-XDHUDOTRSA-N 0 0 486.592 4.585 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@](C)(O)c2cccs2)n1 ZINC001492732689 1066905660 /nfs/dbraw/zinc/90/56/60/1066905660.db2.gz TXPYEPPRNNSMIO-OSPHWJPCSA-N 0 0 486.592 4.585 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001457732064 1066906297 /nfs/dbraw/zinc/90/62/97/1066906297.db2.gz OQEJGJAUSUWGOB-HXUWFJFHSA-N 0 0 452.555 4.524 20 0 JJADRN CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)[C@@H]1Oc1ccccc1 ZINC001448168612 1066906625 /nfs/dbraw/zinc/90/66/25/1066906625.db2.gz XMXZWEXXMQBWKF-WWNPGLIZSA-N 0 0 452.576 4.952 20 0 JJADRN COc1ccc(-c2nnc(NC(=O)c3cccc4c3CCN4C(=O)OC(C)(C)C)s2)cc1 ZINC001457735224 1066906813 /nfs/dbraw/zinc/90/68/13/1066906813.db2.gz MGIVMAXDFLVTBL-UHFFFAOYSA-N 0 0 452.536 4.764 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCC(C)CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001492733308 1066906891 /nfs/dbraw/zinc/90/68/91/1066906891.db2.gz HJMDGXWNFYTVSP-UHFFFAOYSA-N 0 0 497.688 4.722 20 0 JJADRN CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546003249 1066907191 /nfs/dbraw/zinc/90/71/91/1066907191.db2.gz GHGKEMJYEGWESQ-NLWGTHIKSA-N 0 0 466.630 4.888 20 0 JJADRN CCc1sc(NC(=O)c2cc(Br)c(C(F)(F)F)cc2F)c(C(N)=O)c1C ZINC001457736518 1066907252 /nfs/dbraw/zinc/90/72/52/1066907252.db2.gz GSBHJVQGIGVWLI-UHFFFAOYSA-N 0 0 453.255 4.891 20 0 JJADRN CSc1nc2nc(C)c(CC(=O)N3CCC(Cc4ccc(C(C)C)cc4)CC3)c(C)n2n1 ZINC001457737812 1066907400 /nfs/dbraw/zinc/90/74/00/1066907400.db2.gz CQDCHIBEJGEXAT-UHFFFAOYSA-N 0 0 451.640 4.610 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)C3CCCCC3)n2Cc2ccccc2Br)n1 ZINC001492733851 1066907396 /nfs/dbraw/zinc/90/73/96/1066907396.db2.gz UYVJPXLSURRVCQ-UHFFFAOYSA-N 0 0 457.420 4.719 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CSC3(C)C)c2)cc1Cl ZINC001448183260 1066907559 /nfs/dbraw/zinc/90/75/59/1066907559.db2.gz BNFOCDJSIJZVIH-QGZVFWFLSA-N 0 0 459.420 4.726 20 0 JJADRN O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC001457738004 1066907704 /nfs/dbraw/zinc/90/77/04/1066907704.db2.gz FJKISXLDHYOVOA-AVRDEDQJSA-N 0 0 458.530 4.959 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C)n2Cc2cccc(COCC(F)(F)F)c2)n1 ZINC001492734247 1066907837 /nfs/dbraw/zinc/90/78/37/1066907837.db2.gz GYZCSWHWKSEKNA-UHFFFAOYSA-N 0 0 478.563 4.749 20 0 JJADRN C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC001457739763 1066908192 /nfs/dbraw/zinc/90/81/92/1066908192.db2.gz IXCFOOXNDWNRAM-GOSISDBHSA-N 0 0 454.542 4.841 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CCO[C@H]2CCCC[C@@H]2C)n1 ZINC001492735028 1066908200 /nfs/dbraw/zinc/90/82/00/1066908200.db2.gz HXSOBIKNQODKNR-SBUREZEXSA-N 0 0 472.584 4.650 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCCCCC1)NC(=O)OC(C)(C)C ZINC001546003394 1066908433 /nfs/dbraw/zinc/90/84/33/1066908433.db2.gz ISAYZFONOGQJHG-GOSISDBHSA-N 0 0 462.664 4.708 20 0 JJADRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC001448191498 1066908527 /nfs/dbraw/zinc/90/85/27/1066908527.db2.gz APAMFFUTTDLBKX-KBXCAEBGSA-N 0 0 455.190 4.630 20 0 JJADRN O=C(NC[C@@H](O)c1cccc(Br)c1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001448193437 1066908536 /nfs/dbraw/zinc/90/85/36/1066908536.db2.gz SMLQXMSYKPTAFL-OAHLLOKOSA-N 0 0 455.230 4.586 20 0 JJADRN COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ncc1Br ZINC001457742089 1066908445 /nfs/dbraw/zinc/90/84/45/1066908445.db2.gz IDUJKGAFEMMPPW-UHFFFAOYSA-N 0 0 458.360 4.791 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCCOC2CCCCC2)n1 ZINC001492735257 1066908519 /nfs/dbraw/zinc/90/85/19/1066908519.db2.gz PJRMRHPQTROEBY-UHFFFAOYSA-N 0 0 472.037 4.564 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC(F)(F)Br)n1 ZINC001492735109 1066908542 /nfs/dbraw/zinc/90/85/42/1066908542.db2.gz KTXNYGRCPVWJQK-UHFFFAOYSA-N 0 0 497.388 4.551 20 0 JJADRN COc1cc2cc(C(=O)Nc3cnc(Cl)c(Br)c3C)[nH]c2c(OC)c1OC ZINC001457741779 1066908644 /nfs/dbraw/zinc/90/86/44/1066908644.db2.gz IHCLVFGWDBADFP-UHFFFAOYSA-N 0 0 454.708 4.565 20 0 JJADRN COc1ccc(CCC(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c(Br)c1 ZINC001457741739 1066908654 /nfs/dbraw/zinc/90/86/54/1066908654.db2.gz PTXQEXQCHSFTKF-UHFFFAOYSA-N 0 0 451.704 4.837 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccnc2Oc2cccc(F)c2)n1 ZINC001492735066 1066908609 /nfs/dbraw/zinc/90/86/09/1066908609.db2.gz IWXUFPKMTUPBOL-UHFFFAOYSA-N 0 0 489.477 4.513 20 0 JJADRN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001457741910 1066908685 /nfs/dbraw/zinc/90/86/85/1066908685.db2.gz GCJCCRVLRZDAIV-ZJSXRUAMSA-N 0 0 457.542 4.834 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001546003455 1066908955 /nfs/dbraw/zinc/90/89/55/1066908955.db2.gz JRPGXFNCIZOQIS-FUHWJXTLSA-N 0 0 476.691 4.810 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)OC ZINC001546003403 1066909014 /nfs/dbraw/zinc/90/90/14/1066909014.db2.gz IURMEEZINBOLHN-HXUWFJFHSA-N 0 0 479.572 4.701 20 0 JJADRN CC(C)N(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001448195590 1066909034 /nfs/dbraw/zinc/90/90/34/1066909034.db2.gz YZADNQZJDNYKCR-UHFFFAOYSA-N 0 0 459.518 4.863 20 0 JJADRN COC(=O)Nc1cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc(C(F)(F)F)c1 ZINC001457743175 1066908946 /nfs/dbraw/zinc/90/89/46/1066908946.db2.gz RYEKNAWFMZZTJV-UHFFFAOYSA-N 0 0 455.776 4.944 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC2=CCCCC2)n1 ZINC001492735565 1066908944 /nfs/dbraw/zinc/90/89/44/1066908944.db2.gz AVRCNJUMFYITPV-UHFFFAOYSA-N 0 0 459.392 4.632 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](C)c2ccc(F)cc2)n1 ZINC001492735424 1066909098 /nfs/dbraw/zinc/90/90/98/1066909098.db2.gz WBOXXGVXXKWWOB-MRXNPFEDSA-N 0 0 467.980 4.767 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2CC(C)(C)c2ccc(F)cc2)n1 ZINC001492735488 1066909141 /nfs/dbraw/zinc/90/91/41/1066909141.db2.gz YDELMYDCBTVJAM-UHFFFAOYSA-N 0 0 482.007 4.941 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2Cc2sccc2C)n1 ZINC001492735822 1066909328 /nfs/dbraw/zinc/90/93/28/1066909328.db2.gz KURUVLZPZIYIKF-UHFFFAOYSA-N 0 0 475.416 4.550 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Br)c3)n2C[C@H]2CC[C@H](C)C2)n1 ZINC001492735935 1066909961 /nfs/dbraw/zinc/90/99/61/1066909961.db2.gz OPMMESOJTFWQFU-JXFKEZNVSA-N 0 0 471.447 4.975 20 0 JJADRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC001457748316 1066910193 /nfs/dbraw/zinc/91/01/93/1066910193.db2.gz HHNIBRYAFZVRHJ-RBUKOAKNSA-N 0 0 453.341 4.917 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001546003673 1066910307 /nfs/dbraw/zinc/91/03/07/1066910307.db2.gz NTYJOIBCOMEFFR-UNMCSNQZSA-N 0 0 494.709 4.959 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)N(C)Cc1cc(Cl)cn1C ZINC001457748446 1066910225 /nfs/dbraw/zinc/91/02/25/1066910225.db2.gz KUUGCTYZOXVQPY-CQSZACIVSA-N 0 0 458.771 4.901 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[C@H]2CCO[C@@H](C)C2)n1 ZINC001492736116 1066910304 /nfs/dbraw/zinc/91/03/04/1066910304.db2.gz VBHGKSDKKKHQAB-PMACEKPBSA-N 0 0 488.583 4.583 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)n1 ZINC001492736118 1066910315 /nfs/dbraw/zinc/91/03/15/1066910315.db2.gz VBHGKSDKKKHQAB-VQTJNVASSA-N 0 0 488.583 4.583 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)o3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC001492736201 1066910609 /nfs/dbraw/zinc/91/06/09/1066910609.db2.gz XWZQFIRJZXTVFS-ROUUACIJSA-N 0 0 450.509 4.971 20 0 JJADRN COc1cc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c(C)c(OC)c1 ZINC001448225733 1066910640 /nfs/dbraw/zinc/91/06/40/1066910640.db2.gz GEZAWHLELIPZFK-UHFFFAOYSA-N 0 0 451.470 4.948 20 0 JJADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc3cccc(Cl)c3n2C)cc1 ZINC001457749474 1066910755 /nfs/dbraw/zinc/91/07/55/1066910755.db2.gz VUBJBRRWXLJMHZ-UHFFFAOYSA-N 0 0 454.939 4.588 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001457751187 1066910998 /nfs/dbraw/zinc/91/09/98/1066910998.db2.gz UTTRZFYLUFKWOK-OAQYLSRUSA-N 0 0 458.534 4.708 20 0 JJADRN Cc1c(C(=O)Nc2cnc(Br)c(Br)c2)cnn1-c1ccccc1C ZINC001457751074 1066911049 /nfs/dbraw/zinc/91/10/49/1066911049.db2.gz AZJRHYUWCBGPDD-UHFFFAOYSA-N 0 0 450.134 4.661 20 0 JJADRN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001448228542 1066911221 /nfs/dbraw/zinc/91/12/21/1066911221.db2.gz RACYOZTZRNNVSC-AREMUKBSSA-N 0 0 454.570 4.666 20 0 JJADRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1ccccc1 ZINC001448229347 1066911777 /nfs/dbraw/zinc/91/17/77/1066911777.db2.gz LBNMOUPCRLKMOG-OAQYLSRUSA-N 0 0 456.608 4.998 20 0 JJADRN Cc1ccnc(Oc2ccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)n1 ZINC001457752979 1066912007 /nfs/dbraw/zinc/91/20/07/1066912007.db2.gz DGFIIRQTONVOHW-UHFFFAOYSA-N 0 0 458.375 4.568 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@H]2C)n1 ZINC001492736809 1066911942 /nfs/dbraw/zinc/91/19/42/1066911942.db2.gz UDMHWAUPKORCPR-UZLBHIALSA-N 0 0 458.557 4.814 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CCC[C@H]2CCCCO2)n1 ZINC001492736840 1066912035 /nfs/dbraw/zinc/91/20/35/1066912035.db2.gz WCNQZLFLNKWTKV-JOCHJYFZSA-N 0 0 457.022 4.779 20 0 JJADRN CSCc1nc2ccccc2n1CC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001457753640 1066912350 /nfs/dbraw/zinc/91/23/50/1066912350.db2.gz IVAFKUKKTMGNOZ-UHFFFAOYSA-N 0 0 452.580 4.836 20 0 JJADRN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 ZINC001448233390 1066912549 /nfs/dbraw/zinc/91/25/49/1066912549.db2.gz AAFLOISVGZCZQQ-QFBILLFUSA-N 0 0 459.384 4.644 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)CN2CCc3ccccc32)c1 ZINC001457757275 1066912690 /nfs/dbraw/zinc/91/26/90/1066912690.db2.gz BCUIQAXLJWTVEH-UHFFFAOYSA-N 0 0 453.951 4.674 20 0 JJADRN O=C(N[C@@H]1COc2c1cccc2Cl)c1c(F)ccc(I)c1Cl ZINC001457756415 1066912782 /nfs/dbraw/zinc/91/27/82/1066912782.db2.gz VJXONLUQFRSBKN-LLVKDONJSA-N 0 0 452.050 4.601 20 0 JJADRN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)[C@H]1C)Oc1cccc(F)c1 ZINC001546003969 1066913187 /nfs/dbraw/zinc/91/31/87/1066913187.db2.gz UEJQLMGRELDGNX-JXXFODFXSA-N 0 0 475.659 4.961 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(Br)c4ccccc4c3)C2)cc1C ZINC001448236523 1066913203 /nfs/dbraw/zinc/91/32/03/1066913203.db2.gz IGROACHTPJNUDI-GOSISDBHSA-N 0 0 453.336 4.842 20 0 JJADRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001457758988 1066913191 /nfs/dbraw/zinc/91/31/91/1066913191.db2.gz CQDUWDDXOIYMSU-RPBOFIJWSA-N 0 0 458.558 4.701 20 0 JJADRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC001457757706 1066913230 /nfs/dbraw/zinc/91/32/30/1066913230.db2.gz FHSSPBXLPMIUJT-GFCCVEGCSA-N 0 0 450.944 4.589 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC001492739062 1066913506 /nfs/dbraw/zinc/91/35/06/1066913506.db2.gz TWRRREXYEKPNQA-CABCVRRESA-N 0 0 452.447 4.822 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)C3(c4ccc(OCC(C)C)cc4)CCC3)C2)cc1F ZINC001448236710 1066913577 /nfs/dbraw/zinc/91/35/77/1066913577.db2.gz JNEOPJZNZDVBEM-OAQYLSRUSA-N 0 0 454.542 4.600 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@@H](C)C1 ZINC001448237974 1066913895 /nfs/dbraw/zinc/91/38/95/1066913895.db2.gz RXFNJQQYGRKLPR-SFHVURJKSA-N 0 0 452.986 4.579 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001492739135 1066914007 /nfs/dbraw/zinc/91/40/07/1066914007.db2.gz XDJFCCSMBFNOSN-NFBKMPQASA-N 0 0 470.687 4.721 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC001492739331 1066914024 /nfs/dbraw/zinc/91/40/24/1066914024.db2.gz FPKAEBULPZHXKH-AHWVRZQESA-N 0 0 464.658 4.660 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)OC(C)(C)C1)Oc1ccccc1F ZINC001546003995 1066914127 /nfs/dbraw/zinc/91/41/27/1066914127.db2.gz UQGPYLTXXKKKFY-IEBWSBKVSA-N 0 0 458.603 4.931 20 0 JJADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001457765668 1066914371 /nfs/dbraw/zinc/91/43/71/1066914371.db2.gz PEWAIVNOZFKYRU-UHFFFAOYSA-N 0 0 454.530 4.530 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(Cl)c3)n2C[C@H]2CC=CCC2)n1 ZINC001492739946 1066914444 /nfs/dbraw/zinc/91/44/44/1066914444.db2.gz BZQPPFCCMUBVQV-FQEVSTJZSA-N 0 0 455.006 4.665 20 0 JJADRN COc1ccc(C2=NO[C@H](CNC(=O)c3cnn(-c4ccccc4Cl)c3C(C)C)C2)cc1 ZINC001448241472 1066914463 /nfs/dbraw/zinc/91/44/63/1066914463.db2.gz BUXPCELNRQDZNH-SFHVURJKSA-N 0 0 452.942 4.581 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCN(C)c3ccccc3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492739466 1066914464 /nfs/dbraw/zinc/91/44/64/1066914464.db2.gz JSWCHYQORKXPPK-UHFFFAOYSA-N 0 0 492.697 4.515 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2Cc2ccc(Cl)s2)n1 ZINC001492739926 1066914471 /nfs/dbraw/zinc/91/44/71/1066914471.db2.gz BGIWYQSYUVQQOD-UHFFFAOYSA-N 0 0 474.993 4.557 20 0 JJADRN COc1ccc(C2=NO[C@@H](CNC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)C2)cc1C ZINC001448243573 1066914519 /nfs/dbraw/zinc/91/45/19/1066914519.db2.gz SXLLJTMZWGNCIV-YADARESESA-N 0 0 456.542 4.648 20 0 JJADRN CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCO[C@H](CC)C1 ZINC001448242304 1066914535 /nfs/dbraw/zinc/91/45/35/1066914535.db2.gz GVBAUGXAVJIHJK-WOJBJXKFSA-N 0 0 450.579 4.579 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)Sc2ccccc2)n1 ZINC001492739750 1066914543 /nfs/dbraw/zinc/91/45/43/1066914543.db2.gz UHBHBSJRFQDOTJ-OAQYLSRUSA-N 0 0 468.671 4.573 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2C[C@@H](C)c2ncc(C)s2)n1 ZINC001492739665 1066914553 /nfs/dbraw/zinc/91/45/53/1066914553.db2.gz QFUVNMNNGUUNPU-GOSISDBHSA-N 0 0 463.655 4.777 20 0 JJADRN CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC001448245523 1066914909 /nfs/dbraw/zinc/91/49/09/1066914909.db2.gz VZPFDORECWNMPS-KRWDZBQOSA-N 0 0 454.523 4.885 20 0 JJADRN CN1Cc2cc(-c3csc(NC(=O)CCc4cccc(OC(F)F)c4)n3)ccc2NC1=O ZINC001457769313 1066915214 /nfs/dbraw/zinc/91/52/14/1066915214.db2.gz JMFVZJAJGRSJTL-UHFFFAOYSA-N 0 0 458.490 4.960 20 0 JJADRN Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)C2)cc1C ZINC001448248432 1066915380 /nfs/dbraw/zinc/91/53/80/1066915380.db2.gz JSBMLDYURZRWEH-NRFANRHFSA-N 0 0 459.521 4.926 20 0 JJADRN CCN(CC1CCC1)C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001448277071 1066915653 /nfs/dbraw/zinc/91/56/53/1066915653.db2.gz FYGKTZFUAILQTO-UHFFFAOYSA-N 0 0 451.386 4.512 20 0 JJADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001546004113 1066915813 /nfs/dbraw/zinc/91/58/13/1066915813.db2.gz WDZODTNNDVDFNY-UXLLHSPISA-N 0 0 498.644 4.665 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H]2CSCCS2)n1 ZINC001492740679 1066915821 /nfs/dbraw/zinc/91/58/21/1066915821.db2.gz DHZFTCGEKNJILO-OAQYLSRUSA-N 0 0 474.675 4.542 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[C@H]2CCO[C@H](C)C2)n1 ZINC001492740870 1066916096 /nfs/dbraw/zinc/91/60/96/1066916096.db2.gz LLLBQLOKWJDHNL-MOPGFXCFSA-N 0 0 468.568 4.514 20 0 JJADRN CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCc2ccc(OC)cc2C1)NC(=O)OC(C)(C)C ZINC001546004253 1066916157 /nfs/dbraw/zinc/91/61/57/1066916157.db2.gz YQFKAEXVRBEANN-OAQYLSRUSA-N 0 0 497.665 4.805 20 0 JJADRN CCSc1cc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)ccn1 ZINC001457774996 1066916453 /nfs/dbraw/zinc/91/64/53/1066916453.db2.gz UHNPUCCRCHQSRZ-GOSISDBHSA-N 0 0 454.423 4.961 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)cc3nc[nH]c32)[C@H](c2cccc(Cl)c2)C1 ZINC001448296685 1066916653 /nfs/dbraw/zinc/91/66/53/1066916653.db2.gz OYEGEHKPCAFUHP-IBGZPJMESA-N 0 0 458.921 4.790 20 0 JJADRN CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448298802 1066917031 /nfs/dbraw/zinc/91/70/31/1066917031.db2.gz FMCOXCFCXIQHEP-MRXNPFEDSA-N 0 0 458.580 4.768 20 0 JJADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC001448311115 1066917304 /nfs/dbraw/zinc/91/73/04/1066917304.db2.gz XHMCCKBWJWMVLB-UHFFFAOYSA-N 0 0 456.395 4.823 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC(C)(C)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)n1 ZINC001492741575 1066917410 /nfs/dbraw/zinc/91/74/10/1066917410.db2.gz CGJMXFSETREDGI-LJQANCHMSA-N 0 0 492.672 4.590 20 0 JJADRN C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC001448330947 1066917509 /nfs/dbraw/zinc/91/75/09/1066917509.db2.gz FZFLCNFUVZAYTJ-ZBEGNZNMSA-N 0 0 459.203 4.542 20 0 JJADRN Cc1cc2c(o1)c(C(=O)NC[C@H](O)c1cccc(Br)c1)ccc2Br ZINC001448333455 1066917536 /nfs/dbraw/zinc/91/75/36/1066917536.db2.gz IYSUVRPPWJTFKX-INIZCTEOSA-N 0 0 453.130 4.730 20 0 JJADRN Cc1cc(C)cc([C@H](O)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001448336375 1066917646 /nfs/dbraw/zinc/91/76/46/1066917646.db2.gz MAJZKWUNYLVBJN-XPWALMASSA-N 0 0 473.013 4.757 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)C1 ZINC001457778631 1066917868 /nfs/dbraw/zinc/91/78/68/1066917868.db2.gz PHTGXPWFYKXAND-UHFFFAOYSA-N 0 0 450.564 4.707 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001492742177 1066917893 /nfs/dbraw/zinc/91/78/93/1066917893.db2.gz NFIVZMLUTCYXEV-NVXWUHKLSA-N 0 0 462.520 4.711 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2Cc2ccc(COCC(F)(F)F)cc2)n1 ZINC001492742764 1066918077 /nfs/dbraw/zinc/91/80/77/1066918077.db2.gz SGEKZHNXHFBUSP-HKUYNNGSSA-N 0 0 490.574 4.892 20 0 JJADRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC[C@H](O)c1cccc(Br)c1 ZINC001448350272 1066918110 /nfs/dbraw/zinc/91/81/10/1066918110.db2.gz XYLRYOIFODODSS-KRWDZBQOSA-N 0 0 451.773 4.618 20 0 JJADRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC001457781740 1066918231 /nfs/dbraw/zinc/91/82/31/1066918231.db2.gz VQQPVKPECBTWKU-IRJFHVNHSA-N 0 0 456.514 4.750 20 0 JJADRN O=C(Nc1nccc2ccncc21)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001457780275 1066918402 /nfs/dbraw/zinc/91/84/02/1066918402.db2.gz QMKFTQXELICOIN-UHFFFAOYSA-N 0 0 453.211 4.788 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)n2CCCC(C)(C)C)n1 ZINC001492742841 1066918522 /nfs/dbraw/zinc/91/85/22/1066918522.db2.gz SZHLBUQUEGIYGF-FYYLOGMGSA-N 0 0 450.631 4.932 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](c4ccccc4)C3)n2CCCC(C)(C)C)n1 ZINC001492742844 1066918555 /nfs/dbraw/zinc/91/85/55/1066918555.db2.gz SZHLBUQUEGIYGF-GGAORHGYSA-N 0 0 450.631 4.932 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)cc1)c1cccs1 ZINC001448352249 1066918687 /nfs/dbraw/zinc/91/86/87/1066918687.db2.gz IMABAPOTVGQUAO-UHFFFAOYSA-N 0 0 457.349 4.798 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCOc3ccc(Br)cc3C2)C(C)(C)C1(C)C ZINC001448350459 1066918766 /nfs/dbraw/zinc/91/87/66/1066918766.db2.gz JMODLEBHHOVQGP-UHFFFAOYSA-N 0 0 452.389 4.564 20 0 JJADRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001457781927 1066918768 /nfs/dbraw/zinc/91/87/68/1066918768.db2.gz NZKLERPYUWMPJY-JOCHJYFZSA-N 0 0 459.550 4.941 20 0 JJADRN Cc1cc(CNC(=O)C[C@@H](c2cccs2)n2cccc2)ccc1I ZINC001457782432 1066918809 /nfs/dbraw/zinc/91/88/09/1066918809.db2.gz YKLHGFCEAFBZCG-KRWDZBQOSA-N 0 0 450.345 4.759 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCOc2ccc(F)cc2)n1 ZINC001492743736 1066919242 /nfs/dbraw/zinc/91/92/42/1066919242.db2.gz WJAHMUSSSFXNJG-FQEVSTJZSA-N 0 0 454.594 4.620 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](C)c2ccc(F)cc2)n1 ZINC001492744096 1066919268 /nfs/dbraw/zinc/91/92/68/1066919268.db2.gz GUVVVMYOZMSPBN-HNNXBMFYSA-N 0 0 464.511 4.861 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C)(C)CC3)n2Cc2sccc2Br)n1 ZINC001492744053 1066919420 /nfs/dbraw/zinc/91/94/20/1066919420.db2.gz FXMIIESDZDGLJS-UHFFFAOYSA-N 0 0 463.449 4.638 20 0 JJADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC001448357459 1066919485 /nfs/dbraw/zinc/91/94/85/1066919485.db2.gz SNZOIKCCHITCIB-GOSISDBHSA-N 0 0 457.880 4.744 20 0 JJADRN COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C(C)C)C(C)C)c2)cc1 ZINC001457785594 1066919496 /nfs/dbraw/zinc/91/94/96/1066919496.db2.gz HNEPAGOGHFQTDZ-UHFFFAOYSA-N 0 0 453.004 4.584 20 0 JJADRN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC001457787044 1066919762 /nfs/dbraw/zinc/91/97/62/1066919762.db2.gz DUGBPTMLBIFCBU-AWEZNQCLSA-N 0 0 454.901 4.846 20 0 JJADRN O=C(CSc1cccc(Br)c1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457787085 1066919802 /nfs/dbraw/zinc/91/98/02/1066919802.db2.gz CFSWEJCCWTWHRB-UHFFFAOYSA-N 0 0 457.275 4.779 20 0 JJADRN CC1=NN(c2ccc(C(=O)Nc3cc(O)c(Br)cc3Br)cc2)CC1 ZINC001457786606 1066919813 /nfs/dbraw/zinc/91/98/13/1066919813.db2.gz JLLSUAIKMJVXKE-UHFFFAOYSA-N 0 0 453.134 4.756 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCO)Cc1cccnc1Cl ZINC001448359169 1066919913 /nfs/dbraw/zinc/91/99/13/1066919913.db2.gz UDFUZUGMBYUZNX-UHFFFAOYSA-N 0 0 455.889 4.820 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2Cc2cccc(COC(C)(C)C)c2)n1 ZINC001492744620 1066920139 /nfs/dbraw/zinc/92/01/39/1066920139.db2.gz UMZWENRFFZIIMM-PMACEKPBSA-N 0 0 464.658 4.985 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)c1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)CC2 ZINC001448362768 1066920359 /nfs/dbraw/zinc/92/03/59/1066920359.db2.gz YUPKZUBERBLDLK-UHFFFAOYSA-N 0 0 458.942 4.787 20 0 JJADRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3scc(Br)c3Br)C2)cc1 ZINC001448362726 1066920370 /nfs/dbraw/zinc/92/03/70/1066920370.db2.gz YHMKDLMBRQHUCF-LLVKDONJSA-N 0 0 458.175 4.505 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCSCc2ccccc2F)n1 ZINC001492745161 1066920466 /nfs/dbraw/zinc/92/04/66/1066920466.db2.gz IESIUAVLGHVGCY-ROUUACIJSA-N 0 0 456.635 4.695 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2ccc(F)cc2Cl)n1 ZINC001492744750 1066920471 /nfs/dbraw/zinc/92/04/71/1066920471.db2.gz XPUSXHUHUJMEJY-UHFFFAOYSA-N 0 0 484.929 4.954 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2COc3ccc(Cl)cc32)[C@H]1c1ccc(OC)cc1 ZINC001457789029 1066920766 /nfs/dbraw/zinc/92/07/66/1066920766.db2.gz LBTHOLFAGLAKSE-XZDHIHRUSA-N 0 0 456.970 4.678 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCSCc2ccccc2F)n1 ZINC001492745162 1066920955 /nfs/dbraw/zinc/92/09/55/1066920955.db2.gz IESIUAVLGHVGCY-ZWKOTPCHSA-N 0 0 456.635 4.695 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001492745196 1066920977 /nfs/dbraw/zinc/92/09/77/1066920977.db2.gz JDCXSCJHCHMLBS-PKTZIBPZSA-N 0 0 499.704 4.659 20 0 JJADRN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(OC(F)F)c(Br)c1 ZINC001448382360 1066921084 /nfs/dbraw/zinc/92/10/84/1066921084.db2.gz YVVNOOSANACJSG-FUHWJXTLSA-N 0 0 456.283 4.985 20 0 JJADRN Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc(O)c(Br)cc3Br)ccc12 ZINC001457789537 1066921148 /nfs/dbraw/zinc/92/11/48/1066921148.db2.gz UKHFPOQFPGTIFK-UHFFFAOYSA-N 0 0 452.102 4.732 20 0 JJADRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001448381095 1066921120 /nfs/dbraw/zinc/92/11/20/1066921120.db2.gz DFMKCPYSKQSFSO-MBOZVWFJSA-N 0 0 451.419 4.907 20 0 JJADRN C[C@H](Sc1ccccc1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)C(N)=O ZINC001457790597 1066921431 /nfs/dbraw/zinc/92/14/31/1066921431.db2.gz QVCDVNDOABOBIV-LBPRGKRZSA-N 0 0 452.486 4.726 20 0 JJADRN COc1ccc(-c2ccc(C)c(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2)cn1 ZINC001448385206 1066921661 /nfs/dbraw/zinc/92/16/61/1066921661.db2.gz UJEOFFCLXGCWHA-UHFFFAOYSA-N 0 0 456.951 4.664 20 0 JJADRN O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2ccco2)cc1F ZINC001448388114 1066922075 /nfs/dbraw/zinc/92/20/75/1066922075.db2.gz MFQCYIWRPOMFCH-UHFFFAOYSA-N 0 0 457.310 4.700 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O)C(C)(C)C ZINC001448387336 1066922116 /nfs/dbraw/zinc/92/21/16/1066922116.db2.gz XHWSAGBFLSYRQL-HNNXBMFYSA-N 0 0 455.477 4.628 20 0 JJADRN C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 ZINC001457791333 1066922263 /nfs/dbraw/zinc/92/22/63/1066922263.db2.gz AUONSQBEUTWYPS-MRXNPFEDSA-N 0 0 458.599 4.692 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC001457791922 1066922282 /nfs/dbraw/zinc/92/22/82/1066922282.db2.gz RCUKCAWYHJDYNC-UHFFFAOYSA-N 0 0 455.234 4.618 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCc2csc(C(C)C)n2)n1 ZINC001492746887 1066922216 /nfs/dbraw/zinc/92/22/16/1066922216.db2.gz IROMPSWOKLMPRH-UHFFFAOYSA-N 0 0 485.702 4.746 20 0 JJADRN Cc1ccccc1-n1ncc(C(=O)NCCOc2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001457793988 1066922354 /nfs/dbraw/zinc/92/23/54/1066922354.db2.gz KATUXRBOGSPDMH-UHFFFAOYSA-N 0 0 459.255 4.710 20 0 JJADRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccnc2n[nH]nc21 ZINC001448391698 1066922518 /nfs/dbraw/zinc/92/25/18/1066922518.db2.gz CMACIUQDJFIBMN-IBGZPJMESA-N 0 0 455.440 4.654 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]2CCC(C)C)c1 ZINC001457796175 1066922692 /nfs/dbraw/zinc/92/26/92/1066922692.db2.gz DPLYQIZXFVINPJ-MRXNPFEDSA-N 0 0 459.450 4.520 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](c4nc(C(C)C)cs4)C3)n2CCOC(C)(C)C)n1 ZINC001492748475 1066922970 /nfs/dbraw/zinc/92/29/70/1066922970.db2.gz GTPOXCXRTOYIJD-FQEVSTJZSA-N 0 0 485.702 4.919 20 0 JJADRN CC1(C)CCc2c(sc(NC(=O)c3cscc3C(F)F)c2C(=O)N2CCOCC2)C1 ZINC001457799468 1066923057 /nfs/dbraw/zinc/92/30/57/1066923057.db2.gz ZDEWOBKWQDWCOM-UHFFFAOYSA-N 0 0 454.564 4.987 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2C[C@H](F)c2ccc(Br)cc2)n1 ZINC001492749011 1066923404 /nfs/dbraw/zinc/92/34/04/1066923404.db2.gz SHGGLLMLPLUEAM-QRWLVFNGSA-N 0 0 475.410 4.849 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CCCCN(C)c2ccccc2)n1 ZINC001492748888 1066923477 /nfs/dbraw/zinc/92/34/77/1066923477.db2.gz QEGDMVJPAJEFPC-DEOSSOPVSA-N 0 0 463.674 4.929 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@H](C)S1(=O)=O ZINC001457804036 1066924123 /nfs/dbraw/zinc/92/41/23/1066924123.db2.gz HQPJKXNSGJRMOZ-WMLDXEAASA-N 0 0 454.564 4.783 20 0 JJADRN COc1c(Br)ccc(C)c1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001448406666 1066924063 /nfs/dbraw/zinc/92/40/63/1066924063.db2.gz RUONNAJVMYUTRC-HNNXBMFYSA-N 0 0 455.393 4.533 20 0 JJADRN O=C(NCc1nnc(-c2ccccc2)s1)c1ccc(OC(F)(F)F)cc1Br ZINC001457804811 1066924499 /nfs/dbraw/zinc/92/44/99/1066924499.db2.gz PRDITTFYOYWNFE-UHFFFAOYSA-N 0 0 458.259 4.796 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@H]2CCCCC2(F)F)n1 ZINC001492749873 1066924542 /nfs/dbraw/zinc/92/45/42/1066924542.db2.gz LFQXDZBIFGPMAC-MSOLQXFVSA-N 0 0 490.521 4.513 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC(c4ccccc4)C3)c2)cc1 ZINC001448411975 1066925473 /nfs/dbraw/zinc/92/54/73/1066925473.db2.gz ITTWLLWCKICQFS-UHFFFAOYSA-N 0 0 450.560 4.562 20 0 JJADRN COc1ccc(CN(CC2CC2)C(=O)c2cccc(CSc3nccn3C)c2)c(OC)c1 ZINC001448411101 1066925511 /nfs/dbraw/zinc/92/55/11/1066925511.db2.gz GWFWHSYSCFVCMU-UHFFFAOYSA-N 0 0 451.592 4.782 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)C1 ZINC001448409869 1066925526 /nfs/dbraw/zinc/92/55/26/1066925526.db2.gz ZZAPLCFWWWARQJ-KRWDZBQOSA-N 0 0 452.636 4.534 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001492750600 1066925523 /nfs/dbraw/zinc/92/55/23/1066925523.db2.gz CSFQJMDJQZRQKT-MRXNPFEDSA-N 0 0 460.985 4.638 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3c3ccccc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001492750746 1066925560 /nfs/dbraw/zinc/92/55/60/1066925560.db2.gz ICZGFDXTYQVRSI-OFNKIYASSA-N 0 0 493.656 4.703 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3ccccc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001492750745 1066925625 /nfs/dbraw/zinc/92/56/25/1066925625.db2.gz ICZGFDXTYQVRSI-NFBKMPQASA-N 0 0 493.656 4.703 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001457810623 1066925885 /nfs/dbraw/zinc/92/58/85/1066925885.db2.gz QGTOKHXDFAPCGC-DHWLSRIRSA-N 0 0 456.380 4.689 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCCCCCC3)n2CCc2ccc(Br)s2)n1 ZINC001492750970 1066925958 /nfs/dbraw/zinc/92/59/58/1066925958.db2.gz NUKWENVOIHILGX-UHFFFAOYSA-N 0 0 477.476 4.977 20 0 JJADRN CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC=C(C)C1)NC(=O)OC(C)(C)C ZINC001546005931 1066925962 /nfs/dbraw/zinc/92/59/62/1066925962.db2.gz MAZXAKSSCYGNBQ-JOCHJYFZSA-N 0 0 453.631 4.913 20 0 JJADRN O=C(Cc1ccccc1)NCC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC001448416513 1066925974 /nfs/dbraw/zinc/92/59/74/1066925974.db2.gz RBYABCTZHQQARX-UHFFFAOYSA-N 0 0 457.299 4.678 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccnc(Cl)c3Br)CC2)c1 ZINC001448418581 1066926000 /nfs/dbraw/zinc/92/60/00/1066926000.db2.gz XNTMIDPCUJRWNN-UHFFFAOYSA-N 0 0 457.727 4.616 20 0 JJADRN C[C@@H](C(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 ZINC001457812292 1066926287 /nfs/dbraw/zinc/92/62/87/1066926287.db2.gz GGNHVQJIWRKSIQ-WZONZLPQSA-N 0 0 454.492 4.858 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC001457814078 1066926778 /nfs/dbraw/zinc/92/67/78/1066926778.db2.gz MYVSFFQOVRTGEZ-AWEZNQCLSA-N 0 0 454.368 4.739 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001448432334 1066926711 /nfs/dbraw/zinc/92/67/11/1066926711.db2.gz DPEXMEWUUUSORR-RLWLMLJZSA-N 0 0 459.606 4.653 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448432961 1066926813 /nfs/dbraw/zinc/92/68/13/1066926813.db2.gz SFAPYXOCGVNHGN-ZUZCIYMTSA-N 0 0 455.782 4.995 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2Cc2ccccc2OC(C)C)n1 ZINC001492753617 1066926863 /nfs/dbraw/zinc/92/68/63/1066926863.db2.gz DFGALQDWNMNNOV-HHHXNRCGSA-N 0 0 480.657 4.617 20 0 JJADRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1cccc(Nc2cnccn2)c1 ZINC001457814177 1066926821 /nfs/dbraw/zinc/92/68/21/1066926821.db2.gz NMKLJOLVDMMLKU-UHFFFAOYSA-N 0 0 453.325 4.754 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC2CCC(C(F)(F)F)CC2)n1 ZINC001492754797 1066927213 /nfs/dbraw/zinc/92/72/13/1066927213.db2.gz IREICGTXKDERFP-LMDPOFIKSA-N 0 0 468.568 4.512 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)c1ccccc1 ZINC001457817190 1066927522 /nfs/dbraw/zinc/92/75/22/1066927522.db2.gz PTTSMCVZJVHXSD-IBGZPJMESA-N 0 0 455.917 4.578 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2Cc2nc(C(C)(C)C)cs2)n1 ZINC001492756248 1066927567 /nfs/dbraw/zinc/92/75/67/1066927567.db2.gz VRATWTWFLDACNI-SFHVURJKSA-N 0 0 473.716 4.520 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2ccc(F)cc2C(F)(F)F)n1 ZINC001492756011 1066927675 /nfs/dbraw/zinc/92/76/75/1066927675.db2.gz OZTCULQCODDSRW-HOTGVXAUSA-N 0 0 482.551 4.676 20 0 JJADRN COc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1Br ZINC001448439622 1066927728 /nfs/dbraw/zinc/92/77/28/1066927728.db2.gz ZPBSNPASKVTUOI-CQSZACIVSA-N 0 0 452.654 4.593 20 0 JJADRN COC(=O)CCN(Cc1ccncc1)C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001457819736 1066927989 /nfs/dbraw/zinc/92/79/89/1066927989.db2.gz SGRJFVQEIHCJBO-UHFFFAOYSA-N 0 0 459.521 4.894 20 0 JJADRN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2C[C@H](C)COCc2ccccc2)n1 ZINC001492756524 1066928016 /nfs/dbraw/zinc/92/80/16/1066928016.db2.gz DCCHYUFEQMZVFJ-SLFFLAALSA-N 0 0 486.611 4.720 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(C)(F)F)c3)C2)n1 ZINC001492756427 1066928074 /nfs/dbraw/zinc/92/80/74/1066928074.db2.gz ALTOSWLLBAGUSB-FQEVSTJZSA-N 0 0 471.600 4.861 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001546006056 1066928078 /nfs/dbraw/zinc/92/80/78/1066928078.db2.gz OCWLOFVBFYSEFJ-WOJBJXKFSA-N 0 0 457.619 4.901 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCOc3ccc(F)cc3)C2)n1 ZINC001492756913 1066928441 /nfs/dbraw/zinc/92/84/41/1066928441.db2.gz PDMPKWPMIFFPFE-OAQYLSRUSA-N 0 0 483.636 4.699 20 0 JJADRN Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC3(F)F)C2)n1 ZINC001492757196 1066928845 /nfs/dbraw/zinc/92/88/45/1066928845.db2.gz CDHMQSDHYPFUKY-WOJBJXKFSA-N 0 0 463.621 4.817 20 0 JJADRN COC[C@@H](CNC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC001457825719 1066928787 /nfs/dbraw/zinc/92/87/87/1066928787.db2.gz VUKCNRLLXMYNEM-WMLDXEAASA-N 0 0 452.776 4.858 20 0 JJADRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001448449706 1066928854 /nfs/dbraw/zinc/92/88/54/1066928854.db2.gz BSDCSCMBRMCAQP-MRXNPFEDSA-N 0 0 458.868 4.755 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC(F)(F)F)C2)n1 ZINC001492757345 1066929041 /nfs/dbraw/zinc/92/90/41/1066929041.db2.gz WYVIPQSFZQRYGH-XLIONFOSSA-N 0 0 491.562 4.722 20 0 JJADRN Cc1ccn(-c2ccccc2CNC(=O)COc2ccc3ccccc3c2Br)n1 ZINC001457828895 1066929261 /nfs/dbraw/zinc/92/92/61/1066929261.db2.gz PKMDEEXORXKBLN-UHFFFAOYSA-N 0 0 450.336 4.792 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(C(C)C)n3C[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)n1 ZINC001492757950 1066929468 /nfs/dbraw/zinc/92/94/68/1066929468.db2.gz RFVUPXGICGFBCX-PKTZIBPZSA-N 0 0 456.679 4.973 20 0 JJADRN CC[C@H](C)n1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)c1C1CC1 ZINC001448453438 1066929500 /nfs/dbraw/zinc/92/95/00/1066929500.db2.gz RNZHZAJQODFFHK-BULFRSBZSA-N 0 0 452.599 4.864 20 0 JJADRN COc1ccc(CCCC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 ZINC001457830121 1066929824 /nfs/dbraw/zinc/92/98/24/1066929824.db2.gz FDFMMFLFEGKFNQ-UHFFFAOYSA-N 0 0 450.510 4.734 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CCC1 ZINC001457830193 1066929875 /nfs/dbraw/zinc/92/98/75/1066929875.db2.gz FSJLPSKTYQOGQR-UHFFFAOYSA-N 0 0 455.530 4.532 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1OCc1ccncc1 ZINC001457830240 1066929932 /nfs/dbraw/zinc/92/99/32/1066929932.db2.gz GCFQVVZVZLPOOD-UHFFFAOYSA-N 0 0 455.489 4.982 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCC(F)F)CC2)n1 ZINC001492758376 1066930193 /nfs/dbraw/zinc/93/01/93/1066930193.db2.gz BNVXFIIVZLGYDQ-UHFFFAOYSA-N 0 0 496.965 4.749 20 0 JJADRN Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cccc(Cl)c4)n3CCSC(F)(F)F)C2)n1 ZINC001492758313 1066930205 /nfs/dbraw/zinc/93/02/05/1066930205.db2.gz ZMNXXGWUDVLTHE-INIZCTEOSA-N 0 0 499.994 4.976 20 0 JJADRN COC(=O)COc1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c2cccnc12 ZINC001457831819 1066930163 /nfs/dbraw/zinc/93/01/63/1066930163.db2.gz LUNCZUMEZHHYDN-UHFFFAOYSA-N 0 0 451.866 4.656 20 0 JJADRN C[S@@](=O)c1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c1 ZINC001457834173 1066930576 /nfs/dbraw/zinc/93/05/76/1066930576.db2.gz AFHBCPUXLFFKHK-PSTIOWGYSA-N 0 0 458.580 4.803 20 0 JJADRN O=C(O[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001457834024 1066930631 /nfs/dbraw/zinc/93/06/31/1066930631.db2.gz FRLGCVHEMZAOGC-QAPCUYQASA-N 0 0 457.395 4.987 20 0 JJADRN CC[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C ZINC001546006404 1066930710 /nfs/dbraw/zinc/93/07/10/1066930710.db2.gz UHFKWPAUHHJKID-KBAYOESNSA-N 0 0 473.584 4.949 20 0 JJADRN Cc1cc(C)n(CC2CCN(c3nnc(Cc4ccc(F)cc4)n3CCCOC(F)(F)F)CC2)n1 ZINC001492758576 1066930906 /nfs/dbraw/zinc/93/09/06/1066930906.db2.gz HYTSGJUWVNVNOU-UHFFFAOYSA-N 0 0 494.537 4.664 20 0 JJADRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cnc(CCC(F)(F)F)s1 ZINC001457835949 1066930968 /nfs/dbraw/zinc/93/09/68/1066930968.db2.gz UNJZHUXKGFCAJT-UHFFFAOYSA-N 0 0 451.445 4.959 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2)c1C ZINC001448479662 1066931129 /nfs/dbraw/zinc/93/11/29/1066931129.db2.gz VINAELKNQMEVGZ-AQYVVDRMSA-N 0 0 452.551 4.919 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC[C@@H]2C)n1 ZINC001492759615 1066931504 /nfs/dbraw/zinc/93/15/04/1066931504.db2.gz IRSLAKSHCMPDJI-LEWJYISDSA-N 0 0 487.048 4.817 20 0 JJADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)CCO2)n1 ZINC001492759654 1066931567 /nfs/dbraw/zinc/93/15/67/1066931567.db2.gz JTBYCBJTEYGNHL-LEWJYISDSA-N 0 0 478.632 4.801 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCOC[C@H]2C)n1 ZINC001492759617 1066931705 /nfs/dbraw/zinc/93/17/05/1066931705.db2.gz IRSLAKSHCMPDJI-RTWAWAEBSA-N 0 0 487.048 4.817 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001492760341 1066931877 /nfs/dbraw/zinc/93/18/77/1066931877.db2.gz BGZUFQZJZAOQIM-NHCUHLMSSA-N 0 0 487.048 4.838 20 0 JJADRN Cc1csc(Oc2ccc(NC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)cc2F)n1 ZINC001448485704 1066932000 /nfs/dbraw/zinc/93/20/00/1066932000.db2.gz HBPWTALOPFSLTP-NPMXOYFQSA-N 0 0 477.558 4.595 20 0 JJADRN Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)n1 ZINC001492760340 1066931998 /nfs/dbraw/zinc/93/19/98/1066931998.db2.gz BGZUFQZJZAOQIM-LEWJYISDSA-N 0 0 487.048 4.838 20 0 JJADRN C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001448487741 1066932362 /nfs/dbraw/zinc/93/23/62/1066932362.db2.gz LGFPQWNGVULVHP-KRWDZBQOSA-N 0 0 458.484 4.673 20 0 JJADRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCc1cccc(Br)c1 ZINC001457850761 1066932478 /nfs/dbraw/zinc/93/24/78/1066932478.db2.gz NAQFNGCRXWXBFN-ZDUSSCGKSA-N 0 0 453.174 4.779 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1-n1cccc1 ZINC001448489270 1066932593 /nfs/dbraw/zinc/93/25/93/1066932593.db2.gz PEIFXKYBGANHDB-UHFFFAOYSA-N 0 0 456.468 4.794 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001457860196 1066932754 /nfs/dbraw/zinc/93/27/54/1066932754.db2.gz FDMYZKBCUXGUHP-QFIPXVFZSA-N 0 0 451.567 4.627 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C(C)(C)C)C2)n1 ZINC001492760572 1066932843 /nfs/dbraw/zinc/93/28/43/1066932843.db2.gz KBGLMMXVYNDJBE-SFHVURJKSA-N 0 0 488.478 4.822 20 0 JJADRN CCOc1cc(C)ccc1CNC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C ZINC001457860192 1066932857 /nfs/dbraw/zinc/93/28/57/1066932857.db2.gz FDMYZKBCUXGUHP-JOCHJYFZSA-N 0 0 451.567 4.627 20 0 JJADRN COc1ccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c(I)c1 ZINC001448489469 1066932861 /nfs/dbraw/zinc/93/28/61/1066932861.db2.gz YMPQBMOKYDVQMO-UHFFFAOYSA-N 0 0 450.198 4.526 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCOc1ccc(Cl)cn1)CC1CCCCC1 ZINC001457860370 1066932939 /nfs/dbraw/zinc/93/29/39/1066932939.db2.gz GHSGVNRKBIUTDV-LJQANCHMSA-N 0 0 454.011 4.874 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3cccc(Br)c3)nnc2N2CCCC2(C)C)n1 ZINC001492760629 1066933069 /nfs/dbraw/zinc/93/30/69/1066933069.db2.gz LRQYFJICEKILMR-UHFFFAOYSA-N 0 0 457.420 4.990 20 0 JJADRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC001457868042 1066933259 /nfs/dbraw/zinc/93/32/59/1066933259.db2.gz OMSDSWGUWWCSTM-NRSPTQNISA-N 0 0 450.645 4.737 20 0 JJADRN C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC001457863505 1066933266 /nfs/dbraw/zinc/93/32/66/1066933266.db2.gz IGADKRSOBJGCBL-QAPCUYQASA-N 0 0 455.352 4.588 20 0 JJADRN Cc1cc(C)n(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)n1 ZINC001492760827 1066933496 /nfs/dbraw/zinc/93/34/96/1066933496.db2.gz TUUNMMCNKPKOJS-JOCHJYFZSA-N 0 0 457.022 4.753 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCSC2(CCC2)CC1 ZINC001457869775 1066933724 /nfs/dbraw/zinc/93/37/24/1066933724.db2.gz XYVSKCCXPQYYCS-UHFFFAOYSA-N 0 0 451.514 4.579 20 0 JJADRN COc1nc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cc2s1 ZINC001448497827 1066933809 /nfs/dbraw/zinc/93/38/09/1066933809.db2.gz RGMKSXQDYZIWLD-UHFFFAOYSA-N 0 0 450.969 4.684 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@H]2C)n1 ZINC001492761286 1066933803 /nfs/dbraw/zinc/93/38/03/1066933803.db2.gz ICJOZUGSXAAIFW-OAQYLSRUSA-N 0 0 467.637 4.625 20 0 JJADRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)Nc3ccccc3)CC2)n1 ZINC001492761704 1066934184 /nfs/dbraw/zinc/93/41/84/1066934184.db2.gz UOLPYVKYUBXHJA-UHFFFAOYSA-N 0 0 492.672 4.561 20 0 JJADRN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NC[C@H](O)c3ccc(C)cc3)c12 ZINC001448506729 1066934478 /nfs/dbraw/zinc/93/44/78/1066934478.db2.gz KHWRPZWCZZIETN-FQEVSTJZSA-N 0 0 455.436 4.989 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N2CCc3cccc(Br)c3C2)cc1 ZINC001457875662 1066934490 /nfs/dbraw/zinc/93/44/90/1066934490.db2.gz CLQPOULWDPTSJZ-UHFFFAOYSA-N 0 0 455.352 4.760 20 0 JJADRN CSc1cc(C)ccc1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC001457874965 1066934501 /nfs/dbraw/zinc/93/45/01/1066934501.db2.gz OBJHUTVWFGEWEU-UHFFFAOYSA-N 0 0 452.399 4.840 20 0 JJADRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc(N2CCCCCC2)cc1 ZINC001448504555 1066934533 /nfs/dbraw/zinc/93/45/33/1066934533.db2.gz GZINNLTUJQUTBV-UHFFFAOYSA-N 0 0 453.384 4.945 20 0 JJADRN Cc1cc(C)n(CCCn2c(Cc3ccsc3)nnc2N(C)CC(=O)Nc2cccc(C)c2C)n1 ZINC001492762030 1066934559 /nfs/dbraw/zinc/93/45/59/1066934559.db2.gz DJWOCWPOTLLRSB-UHFFFAOYSA-N 0 0 491.665 4.526 20 0 JJADRN Cc1nc(CSc2ccccc2C(=O)NCCOc2ccc(C(F)(F)F)cn2)cs1 ZINC001457877404 1066934838 /nfs/dbraw/zinc/93/48/38/1066934838.db2.gz XOYUSLZLAHQDKZ-UHFFFAOYSA-N 0 0 453.511 4.966 20 0 JJADRN CC(C)(C(=O)N1CCc2nccc(Br)c2C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001457877158 1066934923 /nfs/dbraw/zinc/93/49/23/1066934923.db2.gz OYJNHFBXJOLZMX-QGZVFWFLSA-N 0 0 458.183 4.795 20 0 JJADRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[C@@H](C)c3ccccc3)c2)cc1 ZINC001448509753 1066935237 /nfs/dbraw/zinc/93/52/37/1066935237.db2.gz QBHPVPLQXDSBJD-LJQANCHMSA-N 0 0 452.576 4.810 20 0 JJADRN COc1cc(OC)cc(N2CCCN(C(=O)CSCc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001457880774 1066935308 /nfs/dbraw/zinc/93/53/08/1066935308.db2.gz JIWUXSIUNXJYJL-UHFFFAOYSA-N 0 0 456.652 4.973 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NC1CCN(c2nccs2)CC1 ZINC001448513097 1066935480 /nfs/dbraw/zinc/93/54/80/1066935480.db2.gz XALHCUQECFWAEA-IBGZPJMESA-N 0 0 458.628 4.520 20 0 JJADRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1 ZINC001448534911 1066936380 /nfs/dbraw/zinc/93/63/80/1066936380.db2.gz ACMDUCBIDVVWNX-NRFANRHFSA-N 0 0 458.356 4.652 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492765327 1066936511 /nfs/dbraw/zinc/93/65/11/1066936511.db2.gz CXMYELPAYMIHHG-CALCHBBNSA-N 0 0 454.644 4.649 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001492765328 1066936520 /nfs/dbraw/zinc/93/65/20/1066936520.db2.gz CXMYELPAYMIHHG-IAGOWNOFSA-N 0 0 454.644 4.649 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)s1 ZINC001492765358 1066936638 /nfs/dbraw/zinc/93/66/38/1066936638.db2.gz DNPYENOHMHXWKQ-UHFFFAOYSA-N 0 0 498.962 4.739 20 0 JJADRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC001448536283 1066936750 /nfs/dbraw/zinc/93/67/50/1066936750.db2.gz GHLSMZXOWIHMNJ-SFHVURJKSA-N 0 0 457.502 4.642 20 0 JJADRN Cc1cnccc1OC1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001448536581 1066936859 /nfs/dbraw/zinc/93/68/59/1066936859.db2.gz QPBCYHAQMKLOEM-IBGZPJMESA-N 0 0 451.567 4.689 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCC[C@H]2C)s1 ZINC001492765458 1066936847 /nfs/dbraw/zinc/93/68/47/1066936847.db2.gz HQBXZYTWJWHJHA-LLVKDONJSA-N 0 0 453.435 4.551 20 0 JJADRN Cc1nnc(CCCn2c(-c3ccccc3Br)nnc2N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC001492765401 1066936858 /nfs/dbraw/zinc/93/68/58/1066936858.db2.gz GDBCPNDXXXOOMC-CABCVRRESA-N 0 0 475.460 4.983 20 0 JJADRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001457890346 1066936903 /nfs/dbraw/zinc/93/69/03/1066936903.db2.gz BYNIIDOECLCBOV-QGZVFWFLSA-N 0 0 454.857 4.867 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC001457891165 1066937163 /nfs/dbraw/zinc/93/71/63/1066937163.db2.gz XMBBYWFIWHCRBK-IBGZPJMESA-N 0 0 453.313 4.858 20 0 JJADRN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(CC)(CC)C1)Oc1ccccc1F ZINC001546007740 1066937185 /nfs/dbraw/zinc/93/71/85/1066937185.db2.gz DMLNTVDLEZFVJT-LJQANCHMSA-N 0 0 489.661 4.509 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC001448546721 1066938293 /nfs/dbraw/zinc/93/82/93/1066938293.db2.gz ZKFBXEDOCSZXGU-YJLNNSPDSA-N 0 0 454.876 4.995 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001448550739 1066938400 /nfs/dbraw/zinc/93/84/00/1066938400.db2.gz IWZRDZPPHNGNBF-BMGDILEWSA-N 0 0 450.739 4.747 20 0 JJADRN O=C(NCc1cc2c(cc1OC(F)F)OCO2)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001457899402 1066938327 /nfs/dbraw/zinc/93/83/27/1066938327.db2.gz AODAUBLMHGILSU-UHFFFAOYSA-N 0 0 459.367 4.554 20 0 JJADRN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457899807 1066938452 /nfs/dbraw/zinc/93/84/52/1066938452.db2.gz OHNPEKHBZHDSRR-NYHFZMIOSA-N 0 0 458.320 4.786 20 0 JJADRN Cc1nnc(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2C[C@H](C)C[C@H](C)C2)s1 ZINC001492766025 1066938476 /nfs/dbraw/zinc/93/84/76/1066938476.db2.gz ZHVOHAXBKSBCOI-BBWFWOEESA-N 0 0 458.607 4.832 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(NC(=O)c2nnc(-c3ccco3)o2)cc(C(F)(F)F)c1 ZINC001448550630 1066938437 /nfs/dbraw/zinc/93/84/37/1066938437.db2.gz PAOBPVMAQBOMOK-UHFFFAOYSA-N 0 0 452.389 4.625 20 0 JJADRN COc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c2ccccc2)cc1 ZINC001448550155 1066938464 /nfs/dbraw/zinc/93/84/64/1066938464.db2.gz IMQRSVDZIVXVEC-PMOQBDJRSA-N 0 0 452.913 4.631 20 0 JJADRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC001448550463 1066938477 /nfs/dbraw/zinc/93/84/77/1066938477.db2.gz OUNPIQMPBXXGIF-GFCCVEGCSA-N 0 0 454.493 4.823 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC001457897989 1066938472 /nfs/dbraw/zinc/93/84/72/1066938472.db2.gz JGSJBFOWNSIABU-ZJCBTPCYSA-N 0 0 455.986 4.978 20 0 JJADRN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001457899801 1066938484 /nfs/dbraw/zinc/93/84/84/1066938484.db2.gz OHNPEKHBZHDSRR-IVZQSRNASA-N 0 0 458.320 4.786 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001448553437 1066938718 /nfs/dbraw/zinc/93/87/18/1066938718.db2.gz RCCJUOIWOOKERI-HSZRJFAPSA-N 0 0 458.986 4.908 20 0 JJADRN CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C(F)(F)F ZINC001448553657 1066938726 /nfs/dbraw/zinc/93/87/26/1066938726.db2.gz QZIDWDSGBFIJIW-BFUOFWGJSA-N 0 0 458.502 4.511 20 0 JJADRN Cc1c(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)nnn1Cc1ccncc1 ZINC001457902468 1066938727 /nfs/dbraw/zinc/93/87/27/1066938727.db2.gz KVNXXMDEGCZWOV-UHFFFAOYSA-N 0 0 452.345 4.934 20 0 JJADRN Cc1ccc(-c2ccnn2C)cc1NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001448551602 1066938839 /nfs/dbraw/zinc/93/88/39/1066938839.db2.gz TZUXFDHFEHVYLQ-DEOSSOPVSA-N 0 0 454.530 4.601 20 0 JJADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001448550771 1066938871 /nfs/dbraw/zinc/93/88/71/1066938871.db2.gz IWZRDZPPHNGNBF-QGTPRVQTSA-N 0 0 450.739 4.747 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Cl)ccn1)Oc1cccc(F)c1 ZINC001546007861 1066938885 /nfs/dbraw/zinc/93/88/85/1066938885.db2.gz GFCVBOULIPCWMA-JOCHJYFZSA-N 0 0 498.006 4.821 20 0 JJADRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCCC(F)(F)C2)cc1OC ZINC001457900656 1066938750 /nfs/dbraw/zinc/93/87/50/1066938750.db2.gz BRRVDVOGHXIHME-LJQANCHMSA-N 0 0 455.505 4.923 20 0 JJADRN Cc1nnc(CCCn2c(CC(C)C)nnc2N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492766394 1066939075 /nfs/dbraw/zinc/93/90/75/1066939075.db2.gz LBMWNBXQFOQMFV-QHCPKHFHSA-N 0 0 489.089 4.873 20 0 JJADRN CCOC[C@H](C(=O)OC)N(C)C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C)cc1)CC2 ZINC001457904294 1066939179 /nfs/dbraw/zinc/93/91/79/1066939179.db2.gz HZCFTXGTQUHXAK-ZOSFRFIDSA-N 0 0 458.558 4.680 20 0 JJADRN COc1cc(I)ccc1C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC001457904837 1066939330 /nfs/dbraw/zinc/93/93/30/1066939330.db2.gz XURNJNRFZPIUTI-UHFFFAOYSA-N 0 0 450.320 4.931 20 0 JJADRN Cc1ccc(C(=O)Nc2ccccc2N(C)C2CCCC2)cc1S(=O)(=O)NC1CCCC1 ZINC001457903008 1066939357 /nfs/dbraw/zinc/93/93/57/1066939357.db2.gz VOCILJOFWWJREE-UHFFFAOYSA-N 0 0 455.624 4.847 20 0 JJADRN CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)OC ZINC001546007993 1066939387 /nfs/dbraw/zinc/93/93/87/1066939387.db2.gz ILJDLZVGFVRQTR-NRFANRHFSA-N 0 0 496.656 4.590 20 0 JJADRN Cc1cc(-c2noc([C@H](C)NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)ccc1F ZINC001457908732 1066939689 /nfs/dbraw/zinc/93/96/89/1066939689.db2.gz VEGMIXBJAZLYNB-ZDUSSCGKSA-N 0 0 459.403 4.880 20 0 JJADRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)ccc1F ZINC001457908719 1066939781 /nfs/dbraw/zinc/93/97/81/1066939781.db2.gz VEGMIXBJAZLYNB-CYBMUJFWSA-N 0 0 459.403 4.880 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC001492766927 1066939717 /nfs/dbraw/zinc/93/97/17/1066939717.db2.gz AATSLTRYIWRYAU-QFBILLFUSA-N 0 0 458.607 4.804 20 0 JJADRN C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001448567433 1066939831 /nfs/dbraw/zinc/93/98/31/1066939831.db2.gz YJGVUGWWHPSSIO-MGPUTAFESA-N 0 0 459.384 4.988 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)c3cc(F)cc(F)c3)CC2)cc1 ZINC001457910519 1066940217 /nfs/dbraw/zinc/94/02/17/1066940217.db2.gz KTDAIJJAFAHVAO-MRXNPFEDSA-N 0 0 451.535 4.793 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492767317 1066940172 /nfs/dbraw/zinc/94/01/72/1066940172.db2.gz NJVWZNMJJAVAKK-NRFANRHFSA-N 0 0 484.670 4.518 20 0 JJADRN Cc1nnc(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H]2C)s1 ZINC001492767386 1066940246 /nfs/dbraw/zinc/94/02/46/1066940246.db2.gz PSWSDDKKIIMDRB-ZDUSSCGKSA-N 0 0 467.426 4.945 20 0 JJADRN CCOC(=O)[C@H](NC(=O)/C=C(/C)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001448577275 1066940322 /nfs/dbraw/zinc/94/03/22/1066940322.db2.gz GCAXTKCBKYPBHV-NNRIVUTJSA-N 0 0 453.489 4.591 20 0 JJADRN COC(=O)[C@H](COC(C)C)N(C)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001457911203 1066940458 /nfs/dbraw/zinc/94/04/58/1066940458.db2.gz POJVIPKEVWJWGU-KRWDZBQOSA-N 0 0 458.605 4.506 20 0 JJADRN CCc1ccc(C(=O)Nc2ncc(Br)cc2I)cc1CC ZINC001457912617 1066940499 /nfs/dbraw/zinc/94/04/99/1066940499.db2.gz MTEUPCJNYZGPFJ-UHFFFAOYSA-N 0 0 459.125 4.826 20 0 JJADRN COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001457911218 1066940575 /nfs/dbraw/zinc/94/05/75/1066940575.db2.gz POJVIPKEVWJWGU-QGZVFWFLSA-N 0 0 458.605 4.506 20 0 JJADRN Cc1nnc(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)C2)s1 ZINC001492767512 1066940628 /nfs/dbraw/zinc/94/06/28/1066940628.db2.gz UOSXKGPALRNLOI-UHFFFAOYSA-N 0 0 479.075 4.632 20 0 JJADRN Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)c2ccccc2F)s1 ZINC001492767702 1066940650 /nfs/dbraw/zinc/94/06/50/1066940650.db2.gz BWTKXISWVQIBIX-GFCCVEGCSA-N 0 0 490.406 4.775 20 0 JJADRN COc1cccc(-c2noc(SCC(=O)N[C@H](CC(F)(F)F)c3ccccc3C)n2)c1 ZINC001448588455 1066940581 /nfs/dbraw/zinc/94/05/81/1066940581.db2.gz IKNLXCYCSFFALB-QGZVFWFLSA-N 0 0 451.470 4.956 20 0 JJADRN CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(C)C)C1)Oc1ccccc1F ZINC001546008144 1066940701 /nfs/dbraw/zinc/94/07/01/1066940701.db2.gz LGGZJDZTPCJHSG-NHCUHLMSSA-N 0 0 454.594 4.619 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(C)C)C1)Oc1ccccc1F ZINC001546008146 1066940715 /nfs/dbraw/zinc/94/07/15/1066940715.db2.gz LGGZJDZTPCJHSG-SFTDATJTSA-N 0 0 454.594 4.619 20 0 JJADRN COc1ccc(OC(F)F)c(CNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1 ZINC001457915439 1066940918 /nfs/dbraw/zinc/94/09/18/1066940918.db2.gz YXWVVVLEZPWONQ-UHFFFAOYSA-N 0 0 450.482 4.893 20 0 JJADRN Cc1nnc(CCCn2c(CCOc3ccccc3)nnc2N2CCC(Cl)=C(Cl)C2)s1 ZINC001492767704 1066940995 /nfs/dbraw/zinc/94/09/95/1066940995.db2.gz XVYLOBASESQPBE-UHFFFAOYSA-N 0 0 479.437 4.592 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N(C)Cc2ccco2)s1 ZINC001492767794 1066941055 /nfs/dbraw/zinc/94/10/55/1066941055.db2.gz DCAPCKQLMVDXLW-UHFFFAOYSA-N 0 0 473.400 4.648 20 0 JJADRN Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cccc(Cl)c2)s1 ZINC001492767899 1066941329 /nfs/dbraw/zinc/94/13/29/1066941329.db2.gz GGRQAUXOGLUCEJ-UHFFFAOYSA-N 0 0 492.834 4.728 20 0 JJADRN Cc1nc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)sc1Cc1ccc(Cl)cc1F ZINC001448605538 1066941466 /nfs/dbraw/zinc/94/14/66/1066941466.db2.gz IPNYYPUPPPVLEN-OAQYLSRUSA-N 0 0 454.951 4.664 20 0 JJADRN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](CC(C)C)C2)s1 ZINC001492768204 1066941475 /nfs/dbraw/zinc/94/14/75/1066941475.db2.gz PWWARZCBPIQCAE-SJLPKXTDSA-N 0 0 458.607 4.832 20 0 JJADRN Cc1ccccc1[C@@H](C)CC(=O)Nc1ncc(Br)cc1I ZINC001457920549 1066941877 /nfs/dbraw/zinc/94/18/77/1066941877.db2.gz XREUWFVYDWZPRV-NSHDSACASA-N 0 0 459.125 4.889 20 0 JJADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001457921335 1066941891 /nfs/dbraw/zinc/94/18/91/1066941891.db2.gz ARUKURLBFVNQQZ-CRAIPNDOSA-N 0 0 452.352 4.617 20 0 JJADRN Cc1nc(NC(=O)C2(NC(=O)NC(C)C)CCCCC2)sc1Cc1c(F)cccc1F ZINC001448611309 1066942042 /nfs/dbraw/zinc/94/20/42/1066942042.db2.gz VXRBDSNLKPPGRU-UHFFFAOYSA-N 0 0 450.555 4.670 20 0 JJADRN CC[C@H](Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1)OC ZINC001546008209 1066942059 /nfs/dbraw/zinc/94/20/59/1066942059.db2.gz MLYXBVZZSPUFIB-KJXAQDMKSA-N 0 0 477.049 4.682 20 0 JJADRN CC(C)(C)OC(=O)NC1CC(CC(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)C1 ZINC001457925269 1066942401 /nfs/dbraw/zinc/94/24/01/1066942401.db2.gz KVIRJFCBQYEKPJ-UHFFFAOYSA-N 0 0 456.490 4.856 20 0 JJADRN Cc1[nH]c(=O)c(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)cc1Br ZINC001457923099 1066942425 /nfs/dbraw/zinc/94/24/25/1066942425.db2.gz DQPHUZOJIANNLH-UHFFFAOYSA-N 0 0 459.247 4.648 20 0 JJADRN CCc1ccc(CCC(=O)Nc2ncc(Br)cc2I)cc1 ZINC001457921694 1066942449 /nfs/dbraw/zinc/94/24/49/1066942449.db2.gz ZDQKBQQKYDLJKA-UHFFFAOYSA-N 0 0 459.125 4.582 20 0 JJADRN Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC001448616331 1066942395 /nfs/dbraw/zinc/94/23/95/1066942395.db2.gz KVXBYEKKLALLGL-UHFFFAOYSA-N 0 0 455.601 4.576 20 0 JJADRN Cn1nc(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)cc1NC(=O)OC(C)(C)C ZINC001448614705 1066942514 /nfs/dbraw/zinc/94/25/14/1066942514.db2.gz LDUVFWGXCSYIOM-UHFFFAOYSA-N 0 0 453.370 4.926 20 0 JJADRN Cc1nnc(CCn2c(Cc3ccsc3)nnc2N(C)CCOc2cccc(Cl)c2)s1 ZINC001492768647 1066942602 /nfs/dbraw/zinc/94/26/02/1066942602.db2.gz DLVXHGWBZKQJRJ-UHFFFAOYSA-N 0 0 475.043 4.502 20 0 JJADRN Cc1nnc(CCn2c(CC(C)(C)C)nnc2N2Cc3cccc(Br)c3C2)s1 ZINC001492769214 1066942610 /nfs/dbraw/zinc/94/26/10/1066942610.db2.gz WRWCEYWKRNXHCC-UHFFFAOYSA-N 0 0 461.433 4.552 20 0 JJADRN Cc1nnc(CCn2c(CC(C)(C)C)nnc2N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC001492768563 1066942770 /nfs/dbraw/zinc/94/27/70/1066942770.db2.gz BBQIYXXOIFAHDX-JOCHJYFZSA-N 0 0 489.089 4.873 20 0 JJADRN Cc1nnc(CCn2c(C3CCCC3)nnc2N(C)Cc2ccccc2C(F)(F)F)s1 ZINC001492769515 1066942783 /nfs/dbraw/zinc/94/27/83/1066942783.db2.gz DQHSBLMHYVKOKA-UHFFFAOYSA-N 0 0 450.534 4.994 20 0 JJADRN Cc1nnc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)s1 ZINC001492770083 1066943113 /nfs/dbraw/zinc/94/31/13/1066943113.db2.gz LYBURKYUUGJAKS-HNNXBMFYSA-N 0 0 484.029 4.559 20 0 JJADRN C[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001448619926 1066943298 /nfs/dbraw/zinc/94/32/98/1066943298.db2.gz JGLPTWVXWZQBOV-QEJZJMRPSA-N 0 0 455.368 4.738 20 0 JJADRN Cc1c(NC(=O)CCCOc2ccc(I)cc2)cnn1C1CCCC1 ZINC001448619242 1066943312 /nfs/dbraw/zinc/94/33/12/1066943312.db2.gz FRGSRBLSJZVINP-UHFFFAOYSA-N 0 0 453.324 4.709 20 0 JJADRN Cc1nnc(CCn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)cc2)s1 ZINC001492770441 1066943500 /nfs/dbraw/zinc/94/35/00/1066943500.db2.gz QZWQOYREPRWYJT-UHFFFAOYSA-N 0 0 461.433 4.737 20 0 JJADRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC001457935499 1066943752 /nfs/dbraw/zinc/94/37/52/1066943752.db2.gz CMLPIENRVDQNLK-MAUKXSAKSA-N 0 0 458.356 4.572 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C(C)(C)C)C2)s1 ZINC001492771258 1066943879 /nfs/dbraw/zinc/94/38/79/1066943879.db2.gz DCQLYFHWWUJQEG-INIZCTEOSA-N 0 0 467.426 4.711 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(F)(F)CC2)s1 ZINC001492771147 1066943906 /nfs/dbraw/zinc/94/39/06/1066943906.db2.gz KHGOKMZAXOWWCI-UHFFFAOYSA-N 0 0 489.777 4.805 20 0 JJADRN Cc1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@H](OC(C)(C)C)C2)s1 ZINC001492771462 1066943984 /nfs/dbraw/zinc/94/39/84/1066943984.db2.gz HGSYEZKCJXHARM-HNNXBMFYSA-N 0 0 491.459 4.700 20 0 JJADRN CC[C@]1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCC2(F)F)CCO1 ZINC001546095300 1066944207 /nfs/dbraw/zinc/94/42/07/1066944207.db2.gz KDIMNJFECDQTQE-KSFYIVLOSA-N 0 0 454.512 4.978 20 0 JJADRN CC(C)(C)c1ccccc1Nc1ccc(C(=O)NCc2cnc(N3CCOCC3)s2)cc1 ZINC001448622513 1066944206 /nfs/dbraw/zinc/94/42/06/1066944206.db2.gz QTCSIVBBGIVDEL-UHFFFAOYSA-N 0 0 450.608 4.951 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccsc2)s1 ZINC001492771655 1066944431 /nfs/dbraw/zinc/94/44/31/1066944431.db2.gz RUDMUTIIJLAVRK-UHFFFAOYSA-N 0 0 461.414 4.614 20 0 JJADRN Cc1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001492771797 1066944481 /nfs/dbraw/zinc/94/44/81/1066944481.db2.gz MIOGXMORKKETOW-INIZCTEOSA-N 0 0 453.012 4.524 20 0 JJADRN Cc1nnc(Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)s1 ZINC001492772281 1066944802 /nfs/dbraw/zinc/94/48/02/1066944802.db2.gz VCUYFLCECOCJPB-IAGOWNOFSA-N 0 0 495.422 4.637 20 0 JJADRN Cc1cc(OC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)ccc1Br ZINC001457941820 1066944788 /nfs/dbraw/zinc/94/47/88/1066944788.db2.gz CSPDSVMIALLQKX-QGZVFWFLSA-N 0 0 452.267 4.852 20 0 JJADRN Cc1nnc(Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H](C)c2ccco2)s1 ZINC001492772398 1066944922 /nfs/dbraw/zinc/94/49/22/1066944922.db2.gz ZEQAYAWPCIJQOU-LBPRGKRZSA-N 0 0 459.373 4.706 20 0 JJADRN Cc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)s1 ZINC001492773991 1066945659 /nfs/dbraw/zinc/94/56/59/1066945659.db2.gz YGNCCNNWKQCOHA-IAGOWNOFSA-N 0 0 454.644 4.845 20 0 JJADRN CCc1ccccc1N1C[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1=O ZINC001448632975 1066945750 /nfs/dbraw/zinc/94/57/50/1066945750.db2.gz WQTRWWYWFPSOMV-BZSNNMDCSA-N 0 0 459.359 4.566 20 0 JJADRN O=C(NC[C@@H](CO)CC1CCOCC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001448636900 1066945982 /nfs/dbraw/zinc/94/59/82/1066945982.db2.gz UCJVKHJDHGJWLJ-JTSKRJEESA-N 0 0 452.378 4.655 20 0 JJADRN COC(=O)COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c2ccccc12 ZINC001457949485 1066946361 /nfs/dbraw/zinc/94/63/61/1066946361.db2.gz OLVKIODVMRTSBF-RBUKOAKNSA-N 0 0 454.320 4.896 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001448637282 1066946367 /nfs/dbraw/zinc/94/63/67/1066946367.db2.gz VZQXMKAPIZLATR-CYBMUJFWSA-N 0 0 453.382 4.769 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC001546008664 1066946690 /nfs/dbraw/zinc/94/66/90/1066946690.db2.gz VDGDNNFCQVUEEZ-GOTSBHOMSA-N 0 0 493.656 4.785 20 0 JJADRN COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001448652361 1066946841 /nfs/dbraw/zinc/94/68/41/1066946841.db2.gz QAEWDSUOWHIZEB-WXTAPIANSA-N 0 0 454.542 4.517 20 0 JJADRN COc1ccc(-c2nnc(SCC(=O)N(CCc3cccc(F)c3)C3CCCC3)o2)cc1 ZINC001457950273 1066946793 /nfs/dbraw/zinc/94/67/93/1066946793.db2.gz LIPOOZUZMQYVQL-UHFFFAOYSA-N 0 0 455.555 4.990 20 0 JJADRN CS(=O)(=O)Cc1ccccc1CNC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001457952805 1066947128 /nfs/dbraw/zinc/94/71/28/1066947128.db2.gz VOLIEOPZJKIXHJ-OEAKJJBVSA-N 0 0 457.954 4.881 20 0 JJADRN Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001492777430 1066947226 /nfs/dbraw/zinc/94/72/26/1066947226.db2.gz WFIDVRLRDXPKHA-UHFFFAOYSA-N 0 0 469.630 4.792 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc(C)cc1 ZINC001457953593 1066947557 /nfs/dbraw/zinc/94/75/57/1066947557.db2.gz LQOFXGXDSCPQFU-QHCPKHFHSA-N 0 0 459.631 4.638 20 0 JJADRN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1C ZINC001457953794 1066947591 /nfs/dbraw/zinc/94/75/91/1066947591.db2.gz WHIUDNSGDYDSEC-JOCHJYFZSA-N 0 0 458.917 4.747 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC001457953984 1066947600 /nfs/dbraw/zinc/94/76/00/1066947600.db2.gz LVLOHUBBJJXSJA-HXUWFJFHSA-N 0 0 458.624 4.965 20 0 JJADRN O=C(COc1ccccc1C(=O)NC[C@H]1CCCS1)Nc1ccc(SC(F)F)cc1 ZINC001457953121 1066947648 /nfs/dbraw/zinc/94/76/48/1066947648.db2.gz JOLZJHIRRKKPKG-MRXNPFEDSA-N 0 0 452.548 4.644 20 0 JJADRN Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC1(c2ccccc2)CCOCC1 ZINC001492779555 1066947675 /nfs/dbraw/zinc/94/76/75/1066947675.db2.gz IYSYHHOWWGPTOS-UHFFFAOYSA-N 0 0 461.429 4.795 20 0 JJADRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2cnc3ccccc32)c(Br)c1 ZINC001448667213 1066947785 /nfs/dbraw/zinc/94/77/85/1066947785.db2.gz HBJQGDKOSDQGJQ-IBGZPJMESA-N 0 0 456.384 4.705 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001448666056 1066947823 /nfs/dbraw/zinc/94/78/23/1066947823.db2.gz CPQOIQKKSQGMAY-IAGOWNOFSA-N 0 0 470.532 4.720 20 0 JJADRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1c(F)ccc(I)c1Cl ZINC001457956036 1066947972 /nfs/dbraw/zinc/94/79/72/1066947972.db2.gz PPKHADGSBNHOBY-LLVKDONJSA-N 0 0 451.707 4.695 20 0 JJADRN Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001492780992 1066948050 /nfs/dbraw/zinc/94/80/50/1066948050.db2.gz IXIZAAGWRJDGRJ-UHFFFAOYSA-N 0 0 456.541 4.504 20 0 JJADRN Cc1nnc(N(C)Cc2csc(Br)c2)n1Cc1cc(Br)cs1 ZINC001492782389 1066948067 /nfs/dbraw/zinc/94/80/67/1066948067.db2.gz JXLZOOSGAZGNAW-UHFFFAOYSA-N 0 0 462.236 4.919 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c(F)cccc1F ZINC001448670606 1066948236 /nfs/dbraw/zinc/94/82/36/1066948236.db2.gz HMIBFGWCZMDKMK-RWTORFTKSA-N 0 0 454.876 4.995 20 0 JJADRN CCC[C@@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(F)cc1F ZINC001457957221 1066948330 /nfs/dbraw/zinc/94/83/30/1066948330.db2.gz VAGRNLAYFCSGJY-QGZVFWFLSA-N 0 0 455.431 4.628 20 0 JJADRN Cc1cc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)ccc1NC(=O)c1cccs1 ZINC001448673751 1066948591 /nfs/dbraw/zinc/94/85/91/1066948591.db2.gz KOJRMCAEZZHGRY-UHFFFAOYSA-N 0 0 452.551 4.658 20 0 JJADRN COc1ccc2c(c1)[nH]nc2NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001448673779 1066948748 /nfs/dbraw/zinc/94/87/48/1066948748.db2.gz KPINCQZTWVNJNF-IBGZPJMESA-N 0 0 453.543 4.624 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCn3c(nnc3C3CCCC3)C2)c1Cl ZINC001457960160 1066948838 /nfs/dbraw/zinc/94/88/38/1066948838.db2.gz LFQDVVPAOBQNPK-UHFFFAOYSA-N 0 0 459.978 4.521 20 0 JJADRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001448675698 1066949021 /nfs/dbraw/zinc/94/90/21/1066949021.db2.gz LGCAKRNSUGUVCV-LBPRGKRZSA-N 0 0 456.433 4.598 20 0 JJADRN Cc1nnc(N(C)CCc2ccc(Br)cc2)n1Cc1cccnc1OC1CCCC1 ZINC001492785280 1066949114 /nfs/dbraw/zinc/94/91/14/1066949114.db2.gz GYRUOWWMQYHGEH-UHFFFAOYSA-N 0 0 470.415 4.793 20 0 JJADRN Cc1cccc(C)c1OC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C(C)(C)C ZINC001457964929 1066949200 /nfs/dbraw/zinc/94/92/00/1066949200.db2.gz TXUYXYFLPMWAMA-KRWDZBQOSA-N 0 0 458.045 4.543 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)CCCc2ccc(Br)s2)CC1 ZINC001448676391 1066949228 /nfs/dbraw/zinc/94/92/28/1066949228.db2.gz QYCRXHDFPAINIQ-UHFFFAOYSA-N 0 0 457.434 4.835 20 0 JJADRN Cc1nnc(N(Cc2cc(Cl)ccc2Br)CC(C)C)n1CCC1(O)CCOCC1 ZINC001492788374 1066949553 /nfs/dbraw/zinc/94/95/53/1066949553.db2.gz NDZPWSTXXIBSJB-UHFFFAOYSA-N 0 0 485.854 4.597 20 0 JJADRN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC001457969266 1066949535 /nfs/dbraw/zinc/94/95/35/1066949535.db2.gz REPWHQHPRORXNL-HXUWFJFHSA-N 0 0 456.464 4.929 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)cc1 ZINC001457966591 1066949575 /nfs/dbraw/zinc/94/95/75/1066949575.db2.gz JSIDIYRMXUWRLI-VWLOTQADSA-N 0 0 450.608 4.565 20 0 JJADRN Cc1cnn(-c2cc(C(=O)Nc3ccc(OCC(F)F)c(C(F)(F)F)c3)c(N)cc2F)c1 ZINC001448678062 1066949587 /nfs/dbraw/zinc/94/95/87/1066949587.db2.gz OUVWXDBYKAYHDW-UHFFFAOYSA-N 0 0 458.362 4.817 20 0 JJADRN Cc1nnc(N(Cc2ccccc2)CC2CCOCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001492789473 1066949914 /nfs/dbraw/zinc/94/99/14/1066949914.db2.gz ZQRQOULUBZYHMX-HSZRJFAPSA-N 0 0 471.646 4.569 20 0 JJADRN CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C1CCCC1)Oc1cccc(F)c1 ZINC001546008860 1066949979 /nfs/dbraw/zinc/94/99/79/1066949979.db2.gz YFPPRPWPXWZOOY-QFIPXVFZSA-N 0 0 454.594 4.905 20 0 JJADRN CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448679811 1066949999 /nfs/dbraw/zinc/94/99/99/1066949999.db2.gz BDEDSNXCSOXXJU-UHFFFAOYSA-N 0 0 450.720 4.626 20 0 JJADRN Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001492788687 1066949995 /nfs/dbraw/zinc/94/99/95/1066949995.db2.gz ZNGMPGQAZFGTFJ-UHFFFAOYSA-N 0 0 467.442 4.613 20 0 JJADRN CCc1c(C(=O)Nc2ccc3cccc(Br)c3n2)nnn1Cc1ccc(F)cc1 ZINC001457975757 1066950304 /nfs/dbraw/zinc/95/03/04/1066950304.db2.gz AAEDFEXOPKEJLM-UHFFFAOYSA-N 0 0 454.303 4.591 20 0 JJADRN Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492790879 1066950353 /nfs/dbraw/zinc/95/03/53/1066950353.db2.gz SZTRGELXXGKISU-OLZOCXBDSA-N 0 0 467.355 4.703 20 0 JJADRN Cc1nnc(N(CCC(F)(F)F)CC2CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492790094 1066950401 /nfs/dbraw/zinc/95/04/01/1066950401.db2.gz UAWBPHYBNPXGAS-UHFFFAOYSA-N 0 0 450.431 4.671 20 0 JJADRN Cc1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001492792611 1066950426 /nfs/dbraw/zinc/95/04/26/1066950426.db2.gz AKKBCVBAPORPBI-XIKOKIGWSA-N 0 0 454.930 4.918 20 0 JJADRN Cc1nnc(N(CCC(F)(F)F)CC2CC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C ZINC001492789623 1066950479 /nfs/dbraw/zinc/95/04/79/1066950479.db2.gz DRMKCTSOKLDOPE-KRWDZBQOSA-N 0 0 457.541 4.545 20 0 JJADRN Cc1cc(Br)ccc1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448683615 1066950494 /nfs/dbraw/zinc/95/04/94/1066950494.db2.gz GMVZAQYVCYYSCP-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492794969 1066950949 /nfs/dbraw/zinc/95/09/49/1066950949.db2.gz MVYBNONRQXHBFZ-JTQLQIEISA-N 0 0 472.334 4.996 20 0 JJADRN CCc1onc(-c2ccccc2)c1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC001448687379 1066951361 /nfs/dbraw/zinc/95/13/61/1066951361.db2.gz PQYRCFOGFWWXKY-UHFFFAOYSA-N 0 0 453.296 4.647 20 0 JJADRN Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1Cc1c(F)cccc1OC(F)F ZINC001492796802 1066951317 /nfs/dbraw/zinc/95/13/17/1066951317.db2.gz JBBYBBKPIPVRTG-UHFFFAOYSA-N 0 0 450.486 4.536 20 0 JJADRN Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001492796887 1066951381 /nfs/dbraw/zinc/95/13/81/1066951381.db2.gz LLLGZNQGMXXLGO-NRFANRHFSA-N 0 0 481.538 4.683 20 0 JJADRN CCCCCC[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC001448687790 1066951436 /nfs/dbraw/zinc/95/14/36/1066951436.db2.gz ODYHASGLLXELQQ-WOJBJXKFSA-N 0 0 452.481 4.773 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cc(F)c(Br)cc1F ZINC001457981593 1066951560 /nfs/dbraw/zinc/95/15/60/1066951560.db2.gz PRTJZGVSEFNFGJ-UHFFFAOYSA-N 0 0 451.223 4.590 20 0 JJADRN CC(C)[C@@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC001448688288 1066951775 /nfs/dbraw/zinc/95/17/75/1066951775.db2.gz IUOZCLOFIAQMGR-SXOMAYOGSA-N 0 0 451.611 4.516 20 0 JJADRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001448689213 1066951816 /nfs/dbraw/zinc/95/18/16/1066951816.db2.gz VKKFXXCGLFJFOP-GCJKJVERSA-N 0 0 454.615 4.601 20 0 JJADRN Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001492798865 1066952217 /nfs/dbraw/zinc/95/22/17/1066952217.db2.gz OASXFSVCPZNOPM-FUHWJXTLSA-N 0 0 479.316 4.590 20 0 JJADRN CC(C)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@H](O)c1ccccc1 ZINC001448701220 1066952606 /nfs/dbraw/zinc/95/26/06/1066952606.db2.gz XFWSFYGZOJVTCW-LEWJYISDSA-N 0 0 450.539 4.623 20 0 JJADRN Cc1nnc(N2CCC(C(F)(F)F)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001492798927 1066952715 /nfs/dbraw/zinc/95/27/15/1066952715.db2.gz PTXQBTGVAWBFDG-UHFFFAOYSA-N 0 0 453.509 4.955 20 0 JJADRN Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001492799968 1066952995 /nfs/dbraw/zinc/95/29/95/1066952995.db2.gz SYHQBFSLKLEZGR-INIZCTEOSA-N 0 0 464.010 4.591 20 0 JJADRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2F)nc1 ZINC001448718955 1066953031 /nfs/dbraw/zinc/95/30/31/1066953031.db2.gz MBMHDJOLGBADMM-UHFFFAOYSA-N 0 0 455.902 4.852 20 0 JJADRN Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001492804056 1066953019 /nfs/dbraw/zinc/95/30/19/1066953019.db2.gz DFBQGLGAYRSLOL-UHFFFAOYSA-N 0 0 498.672 4.825 20 0 JJADRN Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001492804870 1066953755 /nfs/dbraw/zinc/95/37/55/1066953755.db2.gz SCVGZKHQUBPLFI-HKUYNNGSSA-N 0 0 485.526 4.901 20 0 JJADRN Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001492804609 1066953798 /nfs/dbraw/zinc/95/37/98/1066953798.db2.gz LSFZHOXGNIOGRH-UHFFFAOYSA-N 0 0 476.691 4.862 20 0 JJADRN Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001492804871 1066953864 /nfs/dbraw/zinc/95/38/64/1066953864.db2.gz SCVGZKHQUBPLFI-IEBWSBKVSA-N 0 0 485.526 4.901 20 0 JJADRN Cc1ccc(C2(CNC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CCC2)cc1C ZINC001448723267 1066953967 /nfs/dbraw/zinc/95/39/67/1066953967.db2.gz RJVATHGJVGCLGA-UHFFFAOYSA-N 0 0 456.652 4.507 20 0 JJADRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1OCc1ccc(Br)cc1 ZINC001457995547 1066954103 /nfs/dbraw/zinc/95/41/03/1066954103.db2.gz XSSTYAZEIAYODH-UHFFFAOYSA-N 0 0 451.320 4.566 20 0 JJADRN COc1ccccc1COC1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 ZINC001457993488 1066954257 /nfs/dbraw/zinc/95/42/57/1066954257.db2.gz PEOVFAWAMARTSB-UHFFFAOYSA-N 0 0 455.505 4.948 20 0 JJADRN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)n[nH]2)c1C ZINC001448725286 1066954424 /nfs/dbraw/zinc/95/44/24/1066954424.db2.gz HCGBXZPHAQCKAN-UHFFFAOYSA-N 0 0 455.469 4.930 20 0 JJADRN Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001492805593 1066954500 /nfs/dbraw/zinc/95/45/00/1066954500.db2.gz OZAGEPWMDDIQBT-IBGZPJMESA-N 0 0 485.526 4.949 20 0 JJADRN Cc1nnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001492816109 1066954979 /nfs/dbraw/zinc/95/49/79/1066954979.db2.gz ZWIGIFCKTMSUCS-UHFFFAOYSA-N 0 0 457.525 4.533 20 0 JJADRN O=C(Oc1ccc2c(c1)CC(=O)N2)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC001448737642 1066955376 /nfs/dbraw/zinc/95/53/76/1066955376.db2.gz OQVRIGXRSXLQJG-UHFFFAOYSA-N 0 0 455.314 4.624 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC001458000210 1066955348 /nfs/dbraw/zinc/95/53/48/1066955348.db2.gz ORLUNDKBCLOAFI-LJQANCHMSA-N 0 0 451.527 4.671 20 0 JJADRN Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492830373 1066955303 /nfs/dbraw/zinc/95/53/03/1066955303.db2.gz IZDKTELUGAGGSW-UHFFFAOYSA-N 0 0 483.554 4.550 20 0 JJADRN Cc1nnc(N2CCc3cc(OCC(C)(C)C)ccc3C2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001492830919 1066955377 /nfs/dbraw/zinc/95/53/77/1066955377.db2.gz PRWMBRKVUDHISG-UHFFFAOYSA-N 0 0 471.646 4.877 20 0 JJADRN COC(=O)c1ccc(CNC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)cc1OC ZINC001458001162 1066955362 /nfs/dbraw/zinc/95/53/62/1066955362.db2.gz TWODNWMKXFCMHZ-HSZRJFAPSA-N 0 0 453.922 4.880 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001492837087 1066955939 /nfs/dbraw/zinc/95/59/39/1066955939.db2.gz DFTFUCBXLBHDIE-LEOXJPRUSA-N 0 0 453.631 4.910 20 0 JJADRN O=C(CN(Cc1cccnc1)c1ccccc1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448764670 1066956150 /nfs/dbraw/zinc/95/61/50/1066956150.db2.gz BPUMGTAFQNAOHY-FQEVSTJZSA-N 0 0 455.389 4.790 20 0 JJADRN Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001492838972 1066956269 /nfs/dbraw/zinc/95/62/69/1066956269.db2.gz RBOXYFMWRXDXKK-MAKTXDPSSA-N 0 0 463.667 4.700 20 0 JJADRN COc1ccc(Cn2nnc(C(=O)N(c3nccs3)c3ccc(F)c(Cl)c3)c2C)cc1 ZINC001458011114 1066956313 /nfs/dbraw/zinc/95/63/13/1066956313.db2.gz HUNPOKGFKMZOET-UHFFFAOYSA-N 0 0 457.918 4.871 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)C1CC1 ZINC001448774052 1066956567 /nfs/dbraw/zinc/95/65/67/1066956567.db2.gz FSKZGCDWUHZHQJ-CTNGQTDRSA-N 0 0 456.562 4.963 20 0 JJADRN O=C(CCOc1ccccc1Br)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448775040 1066956697 /nfs/dbraw/zinc/95/66/97/1066956697.db2.gz NJRFMILALDCSSB-AWEZNQCLSA-N 0 0 458.183 4.920 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001492842803 1066956716 /nfs/dbraw/zinc/95/67/16/1066956716.db2.gz FRUJWQJTAGYHAA-OAHLLOKOSA-N 0 0 496.525 4.720 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492842705 1066956749 /nfs/dbraw/zinc/95/67/49/1066956749.db2.gz DRWADNNIVCNAHL-MJGOQNOKSA-N 0 0 477.650 4.789 20 0 JJADRN Cc1nc(COC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C)s1 ZINC001458013739 1066956754 /nfs/dbraw/zinc/95/67/54/1066956754.db2.gz PERFUIFBRJYXDO-UHFFFAOYSA-N 0 0 454.552 4.982 20 0 JJADRN Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCSCc1ccccc1F ZINC001492842700 1066956766 /nfs/dbraw/zinc/95/67/66/1066956766.db2.gz DRWADNNIVCNAHL-HKUYNNGSSA-N 0 0 477.650 4.789 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)co1 ZINC001448778439 1066957126 /nfs/dbraw/zinc/95/71/26/1066957126.db2.gz RFOOPCURXDKJAL-OAHLLOKOSA-N 0 0 454.354 4.620 20 0 JJADRN CCOc1ccccc1N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001458014901 1066957227 /nfs/dbraw/zinc/95/72/27/1066957227.db2.gz AZRXNVMTBYDADY-UHFFFAOYSA-N 0 0 450.988 4.580 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)OCc1nc(-c2ccsc2)no1 ZINC001458014106 1066957274 /nfs/dbraw/zinc/95/72/74/1066957274.db2.gz YZFHUPWJABJSQD-UHFFFAOYSA-N 0 0 450.339 4.846 20 0 JJADRN COc1ccccc1Nc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001448782452 1066957525 /nfs/dbraw/zinc/95/75/25/1066957525.db2.gz AQWQMXGBQJMTPQ-MHZLTWQESA-N 0 0 459.546 4.970 20 0 JJADRN CCc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cnn1-c1ccc(OC)cc1 ZINC001448783955 1066957595 /nfs/dbraw/zinc/95/75/95/1066957595.db2.gz ZZAPLTPTBNWFKE-INIZCTEOSA-N 0 0 459.377 4.759 20 0 JJADRN Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001492847992 1066957766 /nfs/dbraw/zinc/95/77/66/1066957766.db2.gz MGPGNDRLRRGTKE-QGZVFWFLSA-N 0 0 464.492 4.618 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(Cc3ccc(F)cc3)n2CCCCc2nc(C)cs2)CCO1 ZINC001546096033 1066958006 /nfs/dbraw/zinc/95/80/06/1066958006.db2.gz YGIABWSYFUTDIH-DEOSSOPVSA-N 0 0 457.619 4.801 20 0 JJADRN CSC[C@H](C)C(=O)N1CCC(C(=O)N(c2nccs2)c2ccc(F)c(Cl)c2)CC1 ZINC001458023658 1066958172 /nfs/dbraw/zinc/95/81/72/1066958172.db2.gz STVHBYKMQMOPTA-ZDUSSCGKSA-N 0 0 456.008 4.838 20 0 JJADRN Cc1c(NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cccc1NC(=O)N(C)C ZINC001448800523 1066958506 /nfs/dbraw/zinc/95/85/06/1066958506.db2.gz RSPWTCSXRPLLCA-LAUBAEHRSA-N 0 0 454.571 4.929 20 0 JJADRN Cc1nc(SCC(=O)N2CCN(c3cccc(Cl)c3C)CC2)[nH]c1Cc1ccccc1 ZINC001458031897 1066958496 /nfs/dbraw/zinc/95/84/96/1066958496.db2.gz AQCMIHRHAYSEHT-UHFFFAOYSA-N 0 0 455.027 4.712 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc2cc(Br)cnc2n1)C(C)(C)C ZINC001458031438 1066958559 /nfs/dbraw/zinc/95/85/59/1066958559.db2.gz ZNNBODFDKIAKTD-CQSZACIVSA-N 0 0 451.365 4.660 20 0 JJADRN Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001492851311 1066958615 /nfs/dbraw/zinc/95/86/15/1066958615.db2.gz BUMNLGXABWLACY-INIZCTEOSA-N 0 0 488.436 4.633 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001492851774 1066958919 /nfs/dbraw/zinc/95/89/19/1066958919.db2.gz JYHNOBADZGHKHZ-NQIIRXRSSA-N 0 0 492.615 4.582 20 0 JJADRN Cc1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCOc1ccccc1Cl ZINC001492851880 1066958939 /nfs/dbraw/zinc/95/89/39/1066958939.db2.gz MFAXGRHKXLYJJC-QGZVFWFLSA-N 0 0 499.990 4.790 20 0 JJADRN Cc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCc1cc2ccccc2[nH]1 ZINC001492851659 1066958960 /nfs/dbraw/zinc/95/89/60/1066958960.db2.gz HHHTXQIZJYNYQX-FQEVSTJZSA-N 0 0 488.583 4.782 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC001448807828 1066958908 /nfs/dbraw/zinc/95/89/08/1066958908.db2.gz BAQHTLAISNJUER-SFHVURJKSA-N 0 0 456.974 4.717 20 0 JJADRN COC(=O)c1cc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc(Cl)c1F ZINC001448803810 1066958926 /nfs/dbraw/zinc/95/89/26/1066958926.db2.gz FJSIPLGSKDJNCI-UHFFFAOYSA-N 0 0 452.667 4.671 20 0 JJADRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001448814191 1066959561 /nfs/dbraw/zinc/95/95/61/1066959561.db2.gz IGCXAKLLYYMTSE-IBGZPJMESA-N 0 0 455.352 4.651 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC001458041921 1066959608 /nfs/dbraw/zinc/95/96/08/1066959608.db2.gz MYJBZUOZBIQHCN-QHCPKHFHSA-N 0 0 452.982 4.886 20 0 JJADRN Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492892143 1066959461 /nfs/dbraw/zinc/95/94/61/1066959461.db2.gz AMGONMZGPVDDQP-PMACEKPBSA-N 0 0 455.569 4.574 20 0 JJADRN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1oc2ccccc2c1CSc1ncccn1 ZINC001448821510 1066959804 /nfs/dbraw/zinc/95/98/04/1066959804.db2.gz GRTGXEDYYMWKSQ-SFHVURJKSA-N 0 0 457.914 4.771 20 0 JJADRN COC(=O)c1cc(F)c(C)c(OC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1 ZINC001458044180 1066959872 /nfs/dbraw/zinc/95/98/72/1066959872.db2.gz OMNFVLCGYHBKTF-UHFFFAOYSA-N 0 0 450.397 4.996 20 0 JJADRN Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1Cc1nc(C(F)(F)F)cs1 ZINC001492940748 1066960313 /nfs/dbraw/zinc/96/03/13/1066960313.db2.gz CQTRLYJIZIJNKL-AWEZNQCLSA-N 0 0 477.434 4.707 20 0 JJADRN Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001492908407 1066960386 /nfs/dbraw/zinc/96/03/86/1066960386.db2.gz LLVCKXIFPKQMTB-UHFFFAOYSA-N 0 0 489.304 4.821 20 0 JJADRN Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCc1ccc(Cl)s1 ZINC001492927325 1066960397 /nfs/dbraw/zinc/96/03/97/1066960397.db2.gz QGVYUNJGOUKPPB-UHFFFAOYSA-N 0 0 465.092 4.620 20 0 JJADRN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(OC(F)(F)F)cc1Br ZINC001458046017 1066960395 /nfs/dbraw/zinc/96/03/95/1066960395.db2.gz AYMPSNWJSFBPEG-UHFFFAOYSA-N 0 0 459.218 4.675 20 0 JJADRN CC(C)(NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1Br ZINC001458045959 1066960424 /nfs/dbraw/zinc/96/04/24/1066960424.db2.gz AWLMXCWQRBPXJF-UHFFFAOYSA-N 0 0 459.365 4.895 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1Cc1nc(C(C)C)cs1 ZINC001492942149 1066960648 /nfs/dbraw/zinc/96/06/48/1066960648.db2.gz KTAGLGJOAHGABV-GOSISDBHSA-N 0 0 462.417 4.555 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC001458047160 1066960757 /nfs/dbraw/zinc/96/07/57/1066960757.db2.gz IMTAPFAZIGGNPZ-OAHLLOKOSA-N 0 0 452.370 4.540 20 0 JJADRN Cc1cc(Br)ccc1OC(=O)C1(c2ccc(I)cc2)CC1 ZINC001458050184 1066961146 /nfs/dbraw/zinc/96/11/46/1066961146.db2.gz RPDVOLYNQZGENC-UHFFFAOYSA-N 0 0 457.105 4.999 20 0 JJADRN CC1(c2ccccc2)CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC1 ZINC001458048310 1066961320 /nfs/dbraw/zinc/96/13/20/1066961320.db2.gz YSROOQMAJMTFNS-UHFFFAOYSA-N 0 0 450.966 4.775 20 0 JJADRN CCc1c(NC(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cnn1-c1cccc(C)c1 ZINC001448837906 1066961744 /nfs/dbraw/zinc/96/17/44/1066961744.db2.gz NCBKUKPYMHGMLD-CMDGGOBGSA-N 0 0 456.340 4.872 20 0 JJADRN C[C@H]1C[C@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCN1C(=O)OC(C)(C)C ZINC001448841408 1066962217 /nfs/dbraw/zinc/96/22/17/1066962217.db2.gz JHAFAVROXJBZPW-NWDGAFQWSA-N 0 0 454.340 4.587 20 0 JJADRN O=C(Oc1cc(Br)ccc1Cl)c1cnnn1-c1ccccc1Br ZINC001458053508 1066962119 /nfs/dbraw/zinc/96/21/19/1066962119.db2.gz XLUVCKREIQKUHD-UHFFFAOYSA-N 0 0 457.509 4.665 20 0 JJADRN COc1cc(F)cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC001458053879 1066962193 /nfs/dbraw/zinc/96/21/93/1066962193.db2.gz GDLOJJMCJJHUCY-RTWAWAEBSA-N 0 0 462.949 4.755 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCc1ccc(Cl)s1 ZINC001492956714 1066962247 /nfs/dbraw/zinc/96/22/47/1066962247.db2.gz UDZFIEUOTGYNDF-OAHLLOKOSA-N 0 0 452.049 4.876 20 0 JJADRN Cc1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CCCN(C)c1ccccc1F ZINC001492951667 1066962313 /nfs/dbraw/zinc/96/23/13/1066962313.db2.gz ANCKJLYVXIMUSA-HXUWFJFHSA-N 0 0 472.634 4.584 20 0 JJADRN COc1cc(F)cc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC001458054445 1066962556 /nfs/dbraw/zinc/96/25/56/1066962556.db2.gz GXJCQMIHYYOVCU-TZBSWOFLSA-N 0 0 454.586 4.640 20 0 JJADRN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)n1ccc2ccccc2c1=O ZINC001448842473 1066962494 /nfs/dbraw/zinc/96/24/94/1066962494.db2.gz YMLMRQFGJKWESR-LLVKDONJSA-N 0 0 455.230 4.862 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001448842289 1066962559 /nfs/dbraw/zinc/96/25/59/1066962559.db2.gz KORYPWYVBQULCK-FSCUWSJWSA-N 0 0 453.583 4.941 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CCN1C(=O)OC(C)(C)C ZINC001448841908 1066962622 /nfs/dbraw/zinc/96/26/22/1066962622.db2.gz JUXQIVHOYGOGEV-CABCVRRESA-N 0 0 453.605 4.637 20 0 JJADRN O=C(NCCCOc1ccc2ccccc2c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001545695036 1066962647 /nfs/dbraw/zinc/96/26/47/1066962647.db2.gz CAVDGODMQHAWBN-JOCHJYFZSA-N 0 0 454.979 4.594 20 0 JJADRN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1Br ZINC001448843944 1066962868 /nfs/dbraw/zinc/96/28/68/1066962868.db2.gz MKXPNXHXVNPWFG-ZBFHGGJFSA-N 0 0 455.393 4.754 20 0 JJADRN COc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc(Cl)c1OCC(C)C ZINC001448843668 1066962971 /nfs/dbraw/zinc/96/29/71/1066962971.db2.gz MDUIKIZXZPIFOP-WBVHZDCISA-N 0 0 454.995 4.901 20 0 JJADRN CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC001458056063 1066963082 /nfs/dbraw/zinc/96/30/82/1066963082.db2.gz DNISMIABRQNIRB-IBGZPJMESA-N 0 0 452.599 4.741 20 0 JJADRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)C3)cc1 ZINC001448844992 1066963443 /nfs/dbraw/zinc/96/34/43/1066963443.db2.gz LTLLTHWXJWDREW-UHFFFAOYSA-N 0 0 454.368 4.929 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC001545699591 1066963881 /nfs/dbraw/zinc/96/38/81/1066963881.db2.gz YXHCNIZMWUXVSQ-IEBWSBKVSA-N 0 0 488.702 4.572 20 0 JJADRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001458058370 1066963908 /nfs/dbraw/zinc/96/39/08/1066963908.db2.gz GKBDTXBQHVBRTE-ROUUACIJSA-N 0 0 458.599 4.927 20 0 JJADRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001458058367 1066963974 /nfs/dbraw/zinc/96/39/74/1066963974.db2.gz GKBDTXBQHVBRTE-QZTJIDSGSA-N 0 0 458.599 4.927 20 0 JJADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1)C2=O ZINC001545699736 1066963904 /nfs/dbraw/zinc/96/39/04/1066963904.db2.gz BZZYMBMOGAKHMR-BLYIRPNTSA-N 0 0 451.611 4.608 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001458058311 1066964032 /nfs/dbraw/zinc/96/40/32/1066964032.db2.gz WDTRQLLWETUQHM-ZWKOTPCHSA-N 0 0 454.567 4.724 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001545700204 1066964305 /nfs/dbraw/zinc/96/43/05/1066964305.db2.gz LZTYRSVJUNPIIT-LXGWOEDASA-N 0 0 452.620 4.959 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001545700205 1066964381 /nfs/dbraw/zinc/96/43/81/1066964381.db2.gz LZTYRSVJUNPIIT-ODTUPPAISA-N 0 0 452.620 4.959 20 0 JJADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC001448853915 1066964781 /nfs/dbraw/zinc/96/47/81/1066964781.db2.gz DSYQEVBEHIPDCV-HNNXBMFYSA-N 0 0 450.530 4.881 20 0 JJADRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC001458062311 1066964798 /nfs/dbraw/zinc/96/47/98/1066964798.db2.gz OUSYRLCPHNYXJA-ZWKOTPCHSA-N 0 0 452.551 4.799 20 0 JJADRN Cc1c2cc(Br)ccc2sc1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC001458063077 1066964948 /nfs/dbraw/zinc/96/49/48/1066964948.db2.gz QMWIHMAYVCAFIL-GFCCVEGCSA-N 0 0 456.365 4.501 20 0 JJADRN CCN(C(=O)CNC(=O)c1ccc(F)cc1F)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001545702421 1066965107 /nfs/dbraw/zinc/96/51/07/1066965107.db2.gz BSNCDUCPTKBMPV-QGZVFWFLSA-N 0 0 452.501 4.980 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001448861914 1066965183 /nfs/dbraw/zinc/96/51/83/1066965183.db2.gz DCNOBCLGWGVQRH-PGRDOPGGSA-N 0 0 458.002 4.939 20 0 JJADRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)CCOc3ccc(C=O)cc3)C2)n1 ZINC001448862895 1066965252 /nfs/dbraw/zinc/96/52/52/1066965252.db2.gz VUSKDTNUUWFBQS-IBGZPJMESA-N 0 0 450.560 4.806 20 0 JJADRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cnn(Cc2ccccc2)c1Br ZINC001458063222 1066965454 /nfs/dbraw/zinc/96/54/54/1066965454.db2.gz JCUPOXGXPVTYHE-WIYYLYMNSA-N 0 0 454.368 4.592 20 0 JJADRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c2)cc1 ZINC001545703104 1066965658 /nfs/dbraw/zinc/96/56/58/1066965658.db2.gz ZJTYAPDNPFYHNU-JPYJTQIMSA-N 0 0 456.583 4.546 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001545703744 1066965669 /nfs/dbraw/zinc/96/56/69/1066965669.db2.gz LXASXAYJYDVJLS-CVEARBPZSA-N 0 0 461.582 4.711 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCC(Oc2ncccc2C)CC1 ZINC001448872481 1066965952 /nfs/dbraw/zinc/96/59/52/1066965952.db2.gz AKZMTUMZQKUUHK-UHFFFAOYSA-N 0 0 459.377 4.934 20 0 JJADRN NC(=O)N[C@@H](CC(=O)NCc1cc(F)c(Cl)cc1F)c1cccc(Oc2ccccc2)c1 ZINC001448869228 1066965962 /nfs/dbraw/zinc/96/59/62/1066965962.db2.gz QTWIEZWMJGDSJO-NRFANRHFSA-N 0 0 459.880 4.826 20 0 JJADRN CCOc1ccc(Cl)cc1CCNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC001458068446 1066966060 /nfs/dbraw/zinc/96/60/60/1066966060.db2.gz DORYKOWDLNEALU-UHFFFAOYSA-N 0 0 454.876 4.857 20 0 JJADRN COc1ccc(N(CCC(=O)N[C@@H]2CCC(C)(C)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001458068748 1066966106 /nfs/dbraw/zinc/96/61/06/1066966106.db2.gz YAPAPPNGCBMSIW-HXUWFJFHSA-N 0 0 458.624 4.592 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001545704387 1066966295 /nfs/dbraw/zinc/96/62/95/1066966295.db2.gz XWZNMGQAXGFWBG-UGKGYDQZSA-N 0 0 455.622 4.524 20 0 JJADRN CC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001458069917 1066966432 /nfs/dbraw/zinc/96/64/32/1066966432.db2.gz BDFSUXRPEOFPOJ-LOSJGSFVSA-N 0 0 453.546 4.637 20 0 JJADRN COc1cc(-c2cc(C(=O)N3CCC[C@H]3CSC)c3ccccc3n2)cc(OC)c1OC ZINC001545705048 1066966461 /nfs/dbraw/zinc/96/64/61/1066966461.db2.gz QBRXRKAGPOXEQN-KRWDZBQOSA-N 0 0 452.576 4.895 20 0 JJADRN CSC[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001545704813 1066966508 /nfs/dbraw/zinc/96/65/08/1066966508.db2.gz JXNFNRXYGHFLTL-HNNXBMFYSA-N 0 0 459.420 4.762 20 0 JJADRN COc1ccc(Oc2ccc(CCNC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)cc2)cc1 ZINC001458069149 1066966595 /nfs/dbraw/zinc/96/65/95/1066966595.db2.gz FOGSVKFECMUTOR-JOCHJYFZSA-N 0 0 454.567 4.792 20 0 JJADRN CCCOc1nc2ccccc2cc1C(=O)Oc1cccc(Oc2ccnc(C(=O)NC)c2)c1 ZINC001458069126 1066966613 /nfs/dbraw/zinc/96/66/13/1066966613.db2.gz FHCUHEQLLBEOJZ-UHFFFAOYSA-N 0 0 457.486 4.790 20 0 JJADRN CC(C)(C)[C@@H]1CN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)CCO1 ZINC001448882056 1066966811 /nfs/dbraw/zinc/96/68/11/1066966811.db2.gz ACQRUYWGJCZBRY-PMACEKPBSA-N 0 0 450.348 4.982 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCSC2(CCCCC2)C1 ZINC001545705447 1066966917 /nfs/dbraw/zinc/96/69/17/1066966917.db2.gz AHIBLIGYXAKIJZ-OAQYLSRUSA-N 0 0 485.698 4.726 20 0 JJADRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 ZINC001448884131 1066966936 /nfs/dbraw/zinc/96/69/36/1066966936.db2.gz DDOPMMVYUHLRHC-SLYNCCJLSA-N 0 0 459.384 4.673 20 0 JJADRN CCOc1ccc(C2=CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001458073643 1066967551 /nfs/dbraw/zinc/96/75/51/1066967551.db2.gz PKQZCTHGSLYGBM-QFIPXVFZSA-N 0 0 456.995 4.570 20 0 JJADRN C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O ZINC001448893798 1066967831 /nfs/dbraw/zinc/96/78/31/1066967831.db2.gz ORRHECFLFMVGLF-CZUORRHYSA-N 0 0 451.350 4.717 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001545706356 1066967929 /nfs/dbraw/zinc/96/79/29/1066967929.db2.gz PVNAJTVJOWSUPJ-ULQDDVLXSA-N 0 0 482.456 4.951 20 0 JJADRN CC(C)[C@@H](OC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1ccc(F)c(F)c1 ZINC001458075044 1066968035 /nfs/dbraw/zinc/96/80/35/1066968035.db2.gz JHEUOUPRDOBUBD-OPAMFIHVSA-N 0 0 451.897 4.786 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001545706774 1066968297 /nfs/dbraw/zinc/96/82/97/1066968297.db2.gz YGGVQKJMCZRIBS-ACRUOGEOSA-N 0 0 469.674 4.942 20 0 JJADRN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(F)(F)F)CC1 ZINC001545706603 1066968417 /nfs/dbraw/zinc/96/84/17/1066968417.db2.gz VKEZLFXZKVOHIG-SFHVURJKSA-N 0 0 481.563 4.557 20 0 JJADRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1[nH]c2ccc(Br)cc2c1Cl ZINC001448899506 1066968518 /nfs/dbraw/zinc/96/85/18/1066968518.db2.gz BXSFSMIKKVVELT-UHFFFAOYSA-N 0 0 452.667 4.932 20 0 JJADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@H]2CCCc2ccccc2)cc1 ZINC001545707592 1066968771 /nfs/dbraw/zinc/96/87/71/1066968771.db2.gz RETVNEDJHUIKBF-OAQYLSRUSA-N 0 0 450.608 4.646 20 0 JJADRN CCCC[C@](C)(NC(=O)c1nc[nH]c(=O)c1Br)c1cccc(Br)c1 ZINC001448907329 1066968862 /nfs/dbraw/zinc/96/88/62/1066968862.db2.gz SCRCLDBLQRMJIV-KRWDZBQOSA-N 0 0 457.166 4.543 20 0 JJADRN COC(=O)[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)c1ccc(Cl)c(F)c1 ZINC001458078573 1066968856 /nfs/dbraw/zinc/96/88/56/1066968856.db2.gz ZUGXDZXNRIESHZ-QFIPXVFZSA-N 0 0 451.885 4.771 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC001448905384 1066968940 /nfs/dbraw/zinc/96/89/40/1066968940.db2.gz OPJRFSIEBODNQG-CWBXHPNXSA-N 0 0 452.599 4.708 20 0 JJADRN Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC001458078755 1066969124 /nfs/dbraw/zinc/96/91/24/1066969124.db2.gz AHVQXAVZEPFZIR-UHFFFAOYSA-N 0 0 457.403 4.634 20 0 JJADRN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001448914680 1066969358 /nfs/dbraw/zinc/96/93/58/1066969358.db2.gz WXWDASXCFJNYRW-MRXNPFEDSA-N 0 0 459.587 4.531 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)C2CCCCC2)cc1OC ZINC001458079694 1066969377 /nfs/dbraw/zinc/96/93/77/1066969377.db2.gz HPMUMDDLDSFEDX-HSZRJFAPSA-N 0 0 453.579 4.776 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c(N2CCC[C@@H]2c2nc3ccccc3s2)nnc1C(C)(C)C ZINC001545708684 1066969374 /nfs/dbraw/zinc/96/93/74/1066969374.db2.gz NKJQLUTXJVUBAG-SJLPKXTDSA-N 0 0 454.644 4.832 20 0 JJADRN COc1ccc(CN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)C2CCCCC2)cc1OC ZINC001458080248 1066969564 /nfs/dbraw/zinc/96/95/64/1066969564.db2.gz KFIPQPIYZKTRGO-UHFFFAOYSA-N 0 0 450.579 4.956 20 0 JJADRN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001545709334 1066969808 /nfs/dbraw/zinc/96/98/08/1066969808.db2.gz ZVIFCIRPWQUUPW-CDLYNWKESA-N 0 0 497.684 4.852 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3cccs3)cc2)cc1 ZINC001545709767 1066969819 /nfs/dbraw/zinc/96/98/19/1066969819.db2.gz KUPCAIMBAZVLEE-NFBKMPQASA-N 0 0 451.544 4.708 20 0 JJADRN CCc1c(NC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448920126 1066969969 /nfs/dbraw/zinc/96/99/69/1066969969.db2.gz DSMZBDABYHJOEI-QFIPXVFZSA-N 0 0 458.484 4.675 20 0 JJADRN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)C)CC1 ZINC001545711389 1066970170 /nfs/dbraw/zinc/97/01/70/1066970170.db2.gz SBZTWLNKVYEFOO-LJQANCHMSA-N 0 0 498.672 4.505 20 0 JJADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1OC ZINC001448921162 1066970213 /nfs/dbraw/zinc/97/02/13/1066970213.db2.gz LACDMVJYDYYAIC-RHSMWYFYSA-N 0 0 452.482 4.627 20 0 JJADRN O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001545712434 1066970505 /nfs/dbraw/zinc/97/05/05/1066970505.db2.gz WYIYKTFORNXHQQ-QGZVFWFLSA-N 0 0 453.901 4.506 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCc1ccccc1CO ZINC001545711964 1066970553 /nfs/dbraw/zinc/97/05/53/1066970553.db2.gz HELKPRRJRGMJMY-UHFFFAOYSA-N 0 0 451.514 4.756 20 0 JJADRN CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CCO)cc1 ZINC001545712478 1066970720 /nfs/dbraw/zinc/97/07/20/1066970720.db2.gz XPVJLZDUUSUEAV-FQEVSTJZSA-N 0 0 458.558 4.725 20 0 JJADRN Cc1cc(-c2noc(CCC(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)n2)ccc1F ZINC001458088457 1066970882 /nfs/dbraw/zinc/97/08/82/1066970882.db2.gz IYMVMTNJQSGYGY-AWEZNQCLSA-N 0 0 458.331 4.853 20 0 JJADRN O=C(Cc1cccc(O)c1)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001448929469 1066970888 /nfs/dbraw/zinc/97/08/88/1066970888.db2.gz FMMWQPAUQZYQMV-FQEVSTJZSA-N 0 0 450.398 4.500 20 0 JJADRN CCOCc1nc(Cl)cc(Sc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)n1 ZINC001458086507 1066970892 /nfs/dbraw/zinc/97/08/92/1066970892.db2.gz WRRVWZZLSKHXOC-UHFFFAOYSA-N 0 0 454.939 4.525 20 0 JJADRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C ZINC001458088066 1066971045 /nfs/dbraw/zinc/97/10/45/1066971045.db2.gz JWDZAOLULMMCKN-UHFFFAOYSA-N 0 0 453.344 4.775 20 0 JJADRN CCc1c(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448927947 1066971061 /nfs/dbraw/zinc/97/10/61/1066971061.db2.gz PHIXXOBMUJTLRK-LJQANCHMSA-N 0 0 456.468 4.835 20 0 JJADRN COc1ccc(-n2c(Sc3ncc(Br)cn3)nnc2-c2cccc(C)c2)cc1 ZINC001458089752 1066971443 /nfs/dbraw/zinc/97/14/43/1066971443.db2.gz QHHKCVFNZDCDIQ-UHFFFAOYSA-N 0 0 454.353 4.955 20 0 JJADRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)CC1 ZINC001545716669 1066971447 /nfs/dbraw/zinc/97/14/47/1066971447.db2.gz WPADRRUVFZEHNG-DVECYGJZSA-N 0 0 454.636 4.529 20 0 JJADRN Cc1cc(OCC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)ccc1Br ZINC001458090913 1066971797 /nfs/dbraw/zinc/97/17/97/1066971797.db2.gz FVRAJVZCPHSYCG-ZDUSSCGKSA-N 0 0 453.174 4.872 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001545716929 1066971912 /nfs/dbraw/zinc/97/19/12/1066971912.db2.gz CEASBTLRHOQHNW-SESVDKBCSA-N 0 0 482.641 4.905 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001545716928 1066971942 /nfs/dbraw/zinc/97/19/42/1066971942.db2.gz CEASBTLRHOQHNW-HMXCVIKNSA-N 0 0 482.641 4.905 20 0 JJADRN Cc1ccc2[nH]c(C(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)cc2c1Br ZINC001448935231 1066971956 /nfs/dbraw/zinc/97/19/56/1066971956.db2.gz MCPZTROYMPYIBD-OAHLLOKOSA-N 0 0 457.246 4.601 20 0 JJADRN CCc1ncsc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC001458092032 1066972122 /nfs/dbraw/zinc/97/21/22/1066972122.db2.gz NGTVVYBOTNYDDD-UHFFFAOYSA-N 0 0 457.531 4.962 20 0 JJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCCO[C@@H]1CCCCO1 ZINC001448939837 1066972212 /nfs/dbraw/zinc/97/22/12/1066972212.db2.gz PZUSYEGKSUJWKK-XMMPIXPASA-N 0 0 453.970 4.785 20 0 JJADRN COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3F)c(=O)oc2c1 ZINC001458092510 1066972688 /nfs/dbraw/zinc/97/26/88/1066972688.db2.gz GBNHDVUVBNVGBV-UHFFFAOYSA-N 0 0 455.482 4.776 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001545719399 1066973156 /nfs/dbraw/zinc/97/31/56/1066973156.db2.gz GHEFFIXTOYUNFK-OJAHFUOMSA-N 0 0 465.564 4.932 20 0 JJADRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cnc(Cl)c(Br)c1 ZINC001458093777 1066973113 /nfs/dbraw/zinc/97/31/13/1066973113.db2.gz NQHVGSQYRQUQOC-UHFFFAOYSA-N 0 0 453.551 4.787 20 0 JJADRN O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)c1ccc(-c2ccc(F)cc2)o1 ZINC001448963609 1066973499 /nfs/dbraw/zinc/97/34/99/1066973499.db2.gz GAOKCWYHAXPVQX-UHFFFAOYSA-N 0 0 451.479 4.675 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1 ZINC001458095670 1066973580 /nfs/dbraw/zinc/97/35/80/1066973580.db2.gz YZRUZIOFVOFGEZ-UHFFFAOYSA-N 0 0 452.382 4.638 20 0 JJADRN CC[C@@H](c1nnc(N(C)[C@H]2CCOC2)n1CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC001545720036 1066974012 /nfs/dbraw/zinc/97/40/12/1066974012.db2.gz QEIYTMFBLDVYPJ-FCHUYYIVSA-N 0 0 479.591 4.710 20 0 JJADRN C[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001458096704 1066974209 /nfs/dbraw/zinc/97/42/09/1066974209.db2.gz TUONGVZUFCACJU-KRWDZBQOSA-N 0 0 450.514 4.797 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)on2)CC1 ZINC001448974067 1066974520 /nfs/dbraw/zinc/97/45/20/1066974520.db2.gz WOJLFQLLTKOZAT-AZUAARDMSA-N 0 0 457.546 4.994 20 0 JJADRN CCOc1cccc(CCNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC001458098747 1066974461 /nfs/dbraw/zinc/97/44/61/1066974461.db2.gz PUIOOCDADNYWEG-UHFFFAOYSA-N 0 0 452.551 4.928 20 0 JJADRN O=C(c1ccc(-n2cc(Br)cn2)nn1)N(Cc1ccccc1F)C1CCCCC1 ZINC001458098239 1066974577 /nfs/dbraw/zinc/97/45/77/1066974577.db2.gz OSNKSQMTVHEXJU-UHFFFAOYSA-N 0 0 458.335 4.539 20 0 JJADRN CC[C@H](c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)OC)c1ccccc1 ZINC001545720277 1066974760 /nfs/dbraw/zinc/97/47/60/1066974760.db2.gz UGVBMLDNUMYOBC-UGKGYDQZSA-N 0 0 471.646 4.691 20 0 JJADRN C[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001448987313 1066975514 /nfs/dbraw/zinc/97/55/14/1066975514.db2.gz RZHVQRJJMQCFSD-ZDUSSCGKSA-N 0 0 451.350 4.867 20 0 JJADRN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001546010880 1066975728 /nfs/dbraw/zinc/97/57/28/1066975728.db2.gz UHLYBZCRUUEOGU-PKOBYXMFSA-N 0 0 477.030 4.883 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCO[C@@H]1C(C)C)c1ccccc1 ZINC001545721677 1066976031 /nfs/dbraw/zinc/97/60/31/1066976031.db2.gz DWSODRYSIIGHGE-GMKZXUHWSA-N 0 0 450.631 4.559 20 0 JJADRN CC(C)(CO)[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC001448993552 1066976130 /nfs/dbraw/zinc/97/61/30/1066976130.db2.gz CRWFCXKHHUZMJE-HXUWFJFHSA-N 0 0 459.409 4.991 20 0 JJADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC(C4CCCC4)C3)cc2)cc1 ZINC001448996124 1066976184 /nfs/dbraw/zinc/97/61/84/1066976184.db2.gz UJXUCACZLUGWPH-UHFFFAOYSA-N 0 0 454.636 4.725 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1Cc1ccco1)c1ccccc1 ZINC001545721896 1066976331 /nfs/dbraw/zinc/97/63/31/1066976331.db2.gz JPGHYCNGFAPDOC-LJQANCHMSA-N 0 0 458.488 4.850 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1Cc1ccco1)c1ccccc1 ZINC001545721895 1066976343 /nfs/dbraw/zinc/97/63/43/1066976343.db2.gz JPGHYCNGFAPDOC-IBGZPJMESA-N 0 0 458.488 4.850 20 0 JJADRN C[C@@H]1[C@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001458103794 1066976538 /nfs/dbraw/zinc/97/65/38/1066976538.db2.gz IEZRWNVGNCHINH-DYESRHJHSA-N 0 0 458.549 4.880 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545721986 1066976868 /nfs/dbraw/zinc/97/68/68/1066976868.db2.gz LJIKKUQFZAMCMJ-OAQYLSRUSA-N 0 0 495.052 4.996 20 0 JJADRN COc1cc2c(cc1CNC(=O)C[C@H]1c3ccccc3CN1C(=O)OC(C)(C)C)O[C@H](C)C2 ZINC001458104922 1066976981 /nfs/dbraw/zinc/97/69/81/1066976981.db2.gz OCIMMVUBZOVKCO-IERDGZPVSA-N 0 0 452.551 4.517 20 0 JJADRN Cc1ccc(NC(=O)c2ccc(Cl)c(I)c2)c(Br)n1 ZINC001458104567 1066977065 /nfs/dbraw/zinc/97/70/65/1066977065.db2.gz ZSNMKXKJYVNTIW-UHFFFAOYSA-N 0 0 451.489 4.663 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccccc1 ZINC001545722033 1066977009 /nfs/dbraw/zinc/97/70/09/1066977009.db2.gz MEEFUHJQGMPINW-XUZZJYLKSA-N 0 0 462.642 4.581 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCNC(=O)c1cccs1)c1ccccc1 ZINC001545721985 1066977025 /nfs/dbraw/zinc/97/70/25/1066977025.db2.gz LJIKKUQFZAMCMJ-NRFANRHFSA-N 0 0 495.052 4.996 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2c(C)noc2C)n1CCn1cc(Br)cn1)c1ccccc1 ZINC001545722038 1066977034 /nfs/dbraw/zinc/97/70/34/1066977034.db2.gz MFGNBFVUPYNJIK-HXUWFJFHSA-N 0 0 498.429 4.720 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccco2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545722084 1066977197 /nfs/dbraw/zinc/97/71/97/1066977197.db2.gz NJJHVPQMNQAJJC-QFIPXVFZSA-N 0 0 465.598 4.916 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1c(C)nn(C)c1C)c1ccccc1 ZINC001545722111 1066977364 /nfs/dbraw/zinc/97/73/64/1066977364.db2.gz NYJKLJWNSXBFEC-JOCHJYFZSA-N 0 0 464.017 4.903 20 0 JJADRN C[C@H](Nc1ccc(Br)c(C(F)(F)F)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001458105853 1066977366 /nfs/dbraw/zinc/97/73/66/1066977366.db2.gz OEFOHGFSLRZKNA-NSHDSACASA-N 0 0 458.278 4.693 20 0 JJADRN Cc1cc(C[C@H](C)NC(=O)Cc2c[nH]c3cc(Br)ccc23)n(-c2ccccc2)n1 ZINC001458105579 1066977398 /nfs/dbraw/zinc/97/73/98/1066977398.db2.gz OSPAMQIJRJQIPC-HNNXBMFYSA-N 0 0 451.368 4.714 20 0 JJADRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001449019807 1066977395 /nfs/dbraw/zinc/97/73/95/1066977395.db2.gz WDWAPPOYDRDWCA-BJKJVOPESA-N 0 0 451.302 4.660 20 0 JJADRN COC(=O)c1ccc([C@@H](OC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C(F)(F)F)cc1 ZINC001458106716 1066977623 /nfs/dbraw/zinc/97/76/23/1066977623.db2.gz RUWSOLCTBZSCLF-QEEYODRMSA-N 0 0 451.441 4.547 20 0 JJADRN COc1cc2c(cc1CNC(=O)CCCSc1ccc(Br)cc1)O[C@H](C)C2 ZINC001458108021 1066977675 /nfs/dbraw/zinc/97/76/75/1066977675.db2.gz UETQMBZFXCHYGM-CQSZACIVSA-N 0 0 450.398 4.970 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2c(C)noc2C)n1CCCn1nc(C)cc1C)c1ccccc1 ZINC001545722302 1066977654 /nfs/dbraw/zinc/97/76/54/1066977654.db2.gz RUCSYSAIOZRQLI-QHCPKHFHSA-N 0 0 461.614 4.965 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001545722260 1066977864 /nfs/dbraw/zinc/97/78/64/1066977864.db2.gz QZQIBRPUWDYXTF-SFHVURJKSA-N 0 0 460.047 4.944 20 0 JJADRN C[C@H](NC(=O)c1cc(Br)cnc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC001458109412 1066978189 /nfs/dbraw/zinc/97/81/89/1066978189.db2.gz WMZGHMQTILMVOC-UGSOOPFHSA-N 0 0 453.764 4.553 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccc(C)s2)n1C[C@@H]1CCOC[C@@H]1OC)c1ccccc1 ZINC001545722475 1066978154 /nfs/dbraw/zinc/97/81/54/1066978154.db2.gz VGLBTEGMJAKJLD-WWNPGLIZSA-N 0 0 454.640 4.878 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)c1 ZINC001458111089 1066978986 /nfs/dbraw/zinc/97/89/86/1066978986.db2.gz NZGXOCUWWOCSGZ-NRFANRHFSA-N 0 0 452.979 4.827 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H](C)SC)c1ccccc1 ZINC001545723537 1066979085 /nfs/dbraw/zinc/97/90/85/1066979085.db2.gz BBJLFXWESMOTQN-RDJZCZTQSA-N 0 0 468.652 4.918 20 0 JJADRN CS(=O)(=O)CCc1ccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 ZINC001458112117 1066979295 /nfs/dbraw/zinc/97/92/95/1066979295.db2.gz RGFJTCGRRUPWMA-UHFFFAOYSA-N 0 0 453.438 4.685 20 0 JJADRN C[C@H](O)[C@@](C)(CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)Cc1ccccc1 ZINC001449048006 1066979552 /nfs/dbraw/zinc/97/95/52/1066979552.db2.gz OOPREQOERODHKU-YCRPNKLZSA-N 0 0 450.804 4.880 20 0 JJADRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC001449047866 1066979593 /nfs/dbraw/zinc/97/95/93/1066979593.db2.gz UUXJBLWMRDGUDK-LJQANCHMSA-N 0 0 453.023 4.726 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2CC(F)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545723720 1066979574 /nfs/dbraw/zinc/97/95/74/1066979574.db2.gz DTWTWMOUCNYNFL-SDEKRAFDSA-N 0 0 459.610 4.918 20 0 JJADRN CC[C@H](c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC001545723727 1066979605 /nfs/dbraw/zinc/97/96/05/1066979605.db2.gz DYPBVOSDYUFUKI-FQEVSTJZSA-N 0 0 498.697 4.853 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)CCCC[C@H]12 ZINC001449049734 1066979870 /nfs/dbraw/zinc/97/98/70/1066979870.db2.gz XEVWTZKHTHCGOM-GBXCKJPGSA-N 0 0 463.018 4.720 20 0 JJADRN CC(C)c1ccc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cn4)C3)c2c1 ZINC001458113843 1066979922 /nfs/dbraw/zinc/97/99/22/1066979922.db2.gz QMJSTZCJCCCHEX-MRXNPFEDSA-N 0 0 454.372 4.766 20 0 JJADRN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCO[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC001545723966 1066980063 /nfs/dbraw/zinc/98/00/63/1066980063.db2.gz JLADZPUACNPZCH-SVVSVUQJSA-N 0 0 481.685 4.720 20 0 JJADRN FC(F)(F)c1cnc(NCCCOCCc2ccccc2)c(I)c1 ZINC001458116497 1066980224 /nfs/dbraw/zinc/98/02/24/1066980224.db2.gz RPZLGYWVTYTZPA-UHFFFAOYSA-N 0 0 450.242 4.766 20 0 JJADRN C[C@H](O)[C@](C)(CNC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)Cc1ccccc1 ZINC001449056342 1066980328 /nfs/dbraw/zinc/98/03/28/1066980328.db2.gz XFNDIVKQRNIBMA-WRONEBCDSA-N 0 0 454.570 4.769 20 0 JJADRN C[C@@H](O)[C@](C)(CNC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)Cc1ccccc1 ZINC001449056331 1066980343 /nfs/dbraw/zinc/98/03/43/1066980343.db2.gz XFNDIVKQRNIBMA-OLILMLBXSA-N 0 0 454.570 4.769 20 0 JJADRN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(C)c1C ZINC001449060467 1066980370 /nfs/dbraw/zinc/98/03/70/1066980370.db2.gz DLBJNEMZGBWVAK-RPWUZVMVSA-N 0 0 456.652 4.740 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001545724165 1066980482 /nfs/dbraw/zinc/98/04/82/1066980482.db2.gz MQYQLXVNCZHATH-JOCHJYFZSA-N 0 0 453.656 4.629 20 0 JJADRN O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001449066096 1066980716 /nfs/dbraw/zinc/98/07/16/1066980716.db2.gz VJHCJDVSRLJHMX-LJQANCHMSA-N 0 0 456.302 4.810 20 0 JJADRN O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1cccc(Br)c1)CC1CC1 ZINC001449066093 1066980834 /nfs/dbraw/zinc/98/08/34/1066980834.db2.gz VJHCJDVSRLJHMX-IBGZPJMESA-N 0 0 456.302 4.810 20 0 JJADRN CC(C)[C@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)N1Cc2ccccc2C1=O ZINC001458116947 1066980709 /nfs/dbraw/zinc/98/07/09/1066980709.db2.gz AMFUNOYSJKBTSW-MAUKXSAKSA-N 0 0 451.514 4.549 20 0 JJADRN CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1CC1(COC)CCOCC1)c1ccccc1 ZINC001545724369 1066980829 /nfs/dbraw/zinc/98/08/29/1066980829.db2.gz POISDCFGLSAQIP-JOCHJYFZSA-N 0 0 454.640 4.961 20 0 JJADRN O=C(NCCc1cc2ccccc2[nH]1)c1cc(I)cc(C(F)(F)F)c1 ZINC001458118636 1066981094 /nfs/dbraw/zinc/98/10/94/1066981094.db2.gz HPFNZKQFBQEWIQ-UHFFFAOYSA-N 0 0 458.221 4.764 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001449073550 1066981142 /nfs/dbraw/zinc/98/11/42/1066981142.db2.gz KISWCZQNTBUWIP-BBTUJRGHSA-N 0 0 456.608 4.913 20 0 JJADRN CCOc1cccc(-c2cccc(NC(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)n2)c1 ZINC001449072187 1066981210 /nfs/dbraw/zinc/98/12/10/1066981210.db2.gz ZSSGMCRAXMCMHS-UHFFFAOYSA-N 0 0 453.296 4.744 20 0 JJADRN CC(C)(C)c1cc(CCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc(C(C)(C)C)c1O ZINC001449073580 1066981247 /nfs/dbraw/zinc/98/12/47/1066981247.db2.gz KQMDBGQVNRSSRI-NRFANRHFSA-N 0 0 459.030 4.786 20 0 JJADRN O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1ccn(CC(F)(F)F)n1 ZINC001458120669 1066981471 /nfs/dbraw/zinc/98/14/71/1066981471.db2.gz FRSFGKTZUPGUKO-UHFFFAOYSA-N 0 0 451.293 4.574 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3csc(Br)c3)sc2C1 ZINC001449087700 1066981565 /nfs/dbraw/zinc/98/15/65/1066981565.db2.gz PHAHPTYSNYPNTJ-JTQLQIEISA-N 0 0 458.403 4.601 20 0 JJADRN Cc1cc(I)cc(NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)c1 ZINC001449098505 1066981801 /nfs/dbraw/zinc/98/18/01/1066981801.db2.gz KMGYUPFFGRNRNM-UONOGXRCSA-N 0 0 454.274 4.637 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c(C)cc1Br ZINC001449091087 1066981883 /nfs/dbraw/zinc/98/18/83/1066981883.db2.gz UILBSFLXSNJIFP-UHFFFAOYSA-N 0 0 454.733 4.901 20 0 JJADRN CC[C@@H](c1nnc(N(C)CC2CCCCC2)n1CC1(S(C)(=O)=O)CCC1)c1ccccc1 ZINC001545724793 1066981962 /nfs/dbraw/zinc/98/19/62/1066981962.db2.gz XBYBCIRWHUYZKT-JOCHJYFZSA-N 0 0 458.672 4.804 20 0 JJADRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)cc1F ZINC001545725321 1066981968 /nfs/dbraw/zinc/98/19/68/1066981968.db2.gz PIPWQKHJUWYYEW-HNNXBMFYSA-N 0 0 453.518 4.904 20 0 JJADRN CC[C@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001545724881 1066982004 /nfs/dbraw/zinc/98/20/04/1066982004.db2.gz ZCDXTLYJGPPVCQ-KRWDZBQOSA-N 0 0 475.544 4.714 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1 ZINC001458123817 1066982277 /nfs/dbraw/zinc/98/22/77/1066982277.db2.gz NXSBXKAQKJZFAB-HSZRJFAPSA-N 0 0 454.979 4.530 20 0 JJADRN COc1cc(CCC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc(OC)c1OC ZINC001458123321 1066982410 /nfs/dbraw/zinc/98/24/10/1066982410.db2.gz QQVRMFOFTBETPJ-CQSZACIVSA-N 0 0 458.502 4.527 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1 ZINC001458123822 1066982435 /nfs/dbraw/zinc/98/24/35/1066982435.db2.gz NXSBXKAQKJZFAB-QHCPKHFHSA-N 0 0 454.979 4.530 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCSC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)c1ccccc1 ZINC001545725638 1066982367 /nfs/dbraw/zinc/98/23/67/1066982367.db2.gz AASYOAMKUVSCGV-FBLLAGFSSA-N 0 0 458.672 4.738 20 0 JJADRN CC[C@@H](c1nnc(N(C)CCCSC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccccc1 ZINC001545725640 1066982521 /nfs/dbraw/zinc/98/25/21/1066982521.db2.gz AASYOAMKUVSCGV-SGIRGMQISA-N 0 0 458.672 4.738 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC001449103095 1066982545 /nfs/dbraw/zinc/98/25/45/1066982545.db2.gz BRYPMRPWVMVDIO-QGZVFWFLSA-N 0 0 452.782 4.904 20 0 JJADRN CC[C@H](c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545725937 1066982767 /nfs/dbraw/zinc/98/27/67/1066982767.db2.gz GOYMHBPJFRWJAZ-QHCPKHFHSA-N 0 0 494.684 4.701 20 0 JJADRN C[C@H]1CC[C@H](c2nc(CC(=O)Oc3cccc(Oc4ccnc(C(N)=O)c4)c3)cs2)CC1 ZINC001458125315 1066983039 /nfs/dbraw/zinc/98/30/39/1066983039.db2.gz FPZABPAGAYQUCD-WKILWMFISA-N 0 0 451.548 4.871 20 0 JJADRN Cc1ccnc(Nc2cccc(C(=O)N[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)c2)n1 ZINC001449111361 1066983286 /nfs/dbraw/zinc/98/32/86/1066983286.db2.gz WYIQQJJIBFEIPI-HSZRJFAPSA-N 0 0 456.468 4.679 20 0 JJADRN O=C(NCc1cc(F)c(F)cc1Br)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC001449114551 1066983374 /nfs/dbraw/zinc/98/33/74/1066983374.db2.gz YSJJTIBEIQQKJB-UHFFFAOYSA-N 0 0 458.209 4.649 20 0 JJADRN Cc1[nH]nc(C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)c1C(F)(F)F ZINC001449123827 1066984099 /nfs/dbraw/zinc/98/40/99/1066984099.db2.gz ZACLSFFGDSMASC-UHFFFAOYSA-N 0 0 459.494 4.560 20 0 JJADRN O=C(Nc1ccccc1CCC(F)(F)F)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC001545727271 1066984281 /nfs/dbraw/zinc/98/42/81/1066984281.db2.gz KBPCNCMTKPCKFW-KDURUIRLSA-N 0 0 457.452 4.712 20 0 JJADRN Cc1cc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c(C)n1C1CC1 ZINC001449128651 1066984508 /nfs/dbraw/zinc/98/45/08/1066984508.db2.gz MJNVBGHWHDDGPG-FQEVSTJZSA-N 0 0 458.400 4.745 20 0 JJADRN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc(Br)ccc1F ZINC001458132467 1066984567 /nfs/dbraw/zinc/98/45/67/1066984567.db2.gz FCYYZFZCFPSXOX-MRXNPFEDSA-N 0 0 452.324 4.802 20 0 JJADRN Cc1oc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001458132627 1066984761 /nfs/dbraw/zinc/98/47/61/1066984761.db2.gz GNBHWBRCPMVCGI-LJQANCHMSA-N 0 0 458.502 4.518 20 0 JJADRN CC[C@H](c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(Cl)s1)c1ccccc1 ZINC001545727819 1066984673 /nfs/dbraw/zinc/98/46/73/1066984673.db2.gz AAOYMUWPSPDYIX-IBGZPJMESA-N 0 0 479.071 4.597 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c2ccccc21 ZINC001449130964 1066984691 /nfs/dbraw/zinc/98/46/91/1066984691.db2.gz VYNXDPSDVDZECX-ZDUSSCGKSA-N 0 0 457.914 4.538 20 0 JJADRN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001546011720 1066985044 /nfs/dbraw/zinc/98/50/44/1066985044.db2.gz PUHSTYBIUNZCKU-KRWDZBQOSA-N 0 0 459.612 4.505 20 0 JJADRN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1Cl ZINC001449148246 1066985407 /nfs/dbraw/zinc/98/54/07/1066985407.db2.gz LYFMNOQLEBXQBM-UHFFFAOYSA-N 0 0 453.955 4.928 20 0 JJADRN CC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC001458136622 1066985403 /nfs/dbraw/zinc/98/54/03/1066985403.db2.gz UAXHJOOHTGHESO-HXUWFJFHSA-N 0 0 454.514 4.545 20 0 JJADRN CC[C@H](c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)c1ccccc1 ZINC001545728354 1066985846 /nfs/dbraw/zinc/98/58/46/1066985846.db2.gz KLKQIRMMGWHURN-SFTDATJTSA-N 0 0 486.707 4.873 20 0 JJADRN CC[C@@H](c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccnc1)C(C)C)c1ccccc1 ZINC001545728458 1066985985 /nfs/dbraw/zinc/98/59/85/1066985985.db2.gz LPOJSHFFGBHCIU-UBFVSLLYSA-N 0 0 495.693 4.668 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1C[C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC001545728677 1066986301 /nfs/dbraw/zinc/98/63/01/1066986301.db2.gz PLKLEPKWXZBXHA-LYIXCCSJSA-N 0 0 481.685 4.624 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1CC1(C)CCCC1)c1ccccc1 ZINC001545728755 1066986335 /nfs/dbraw/zinc/98/63/35/1066986335.db2.gz QUYFUAFJSPXMDV-GMKZXUHWSA-N 0 0 481.685 4.768 20 0 JJADRN CCc1ccc([C@H]2CCCN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C2)cc1 ZINC001449168191 1066987004 /nfs/dbraw/zinc/98/70/04/1066987004.db2.gz XKIFHNTWCUUPKU-PMACEKPBSA-N 0 0 455.396 4.771 20 0 JJADRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC001458144776 1066987149 /nfs/dbraw/zinc/98/71/49/1066987149.db2.gz QIMMETZPTYUJBU-QHCPKHFHSA-N 0 0 457.983 4.704 20 0 JJADRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001458143430 1066987200 /nfs/dbraw/zinc/98/72/00/1066987200.db2.gz LMODHUKCMXKCEW-GFCCVEGCSA-N 0 0 450.379 4.860 20 0 JJADRN CCNC(=O)C(C)(C)CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2 ZINC001458145591 1066987241 /nfs/dbraw/zinc/98/72/41/1066987241.db2.gz KEAUDDRWSIPBQB-MNDPQUGUSA-N 0 0 457.574 4.622 20 0 JJADRN Cc1cc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)sc1Br ZINC001458146554 1066987889 /nfs/dbraw/zinc/98/78/89/1066987889.db2.gz XAQLGMJKGCFRFH-ZDUSSCGKSA-N 0 0 454.390 4.685 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCCCOC(C)C)c1ccccc1 ZINC001545730585 1066988188 /nfs/dbraw/zinc/98/81/88/1066988188.db2.gz CACAPSLVCOPFLU-ISKFKSNPSA-N 0 0 470.658 4.800 20 0 JJADRN C[C@H](NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)[C@H](C)C(=O)Nc1ncccc1O ZINC001449187391 1066988289 /nfs/dbraw/zinc/98/82/89/1066988289.db2.gz HBCDGSUGGKNCND-OJBGHLBWSA-N 0 0 455.967 4.962 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001449180624 1066988354 /nfs/dbraw/zinc/98/83/54/1066988354.db2.gz WHJVJSCRYJZALB-UUOWRZLLSA-N 0 0 450.023 4.852 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545730650 1066988435 /nfs/dbraw/zinc/98/84/35/1066988435.db2.gz DFUUZAYKFVCUKD-NSHGMRRFSA-N 0 0 455.603 4.763 20 0 JJADRN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC001449187381 1066988516 /nfs/dbraw/zinc/98/85/16/1066988516.db2.gz HBCDGSUGGKNCND-KATLRKPDSA-N 0 0 455.967 4.962 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCCCCSC)c1ccccc1 ZINC001545730759 1066988775 /nfs/dbraw/zinc/98/87/75/1066988775.db2.gz FPRGBBALVWAGFW-NIRIFSCTSA-N 0 0 458.672 4.738 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@](C)(O)c1cc(C)oc1C)c1ccccc1 ZINC001545731017 1066989349 /nfs/dbraw/zinc/98/93/49/1066989349.db2.gz IWOLBLCFYVUXST-RAKYAITLSA-N 0 0 466.626 4.941 20 0 JJADRN O=C(Nc1ccc(OCCCO)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001449208136 1066989424 /nfs/dbraw/zinc/98/94/24/1066989424.db2.gz YICFGQQHFHLFCG-BDYUSTAISA-N 0 0 458.558 4.566 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731103 1066989802 /nfs/dbraw/zinc/98/98/02/1066989802.db2.gz JURXDCTVCSFWNS-NRSPTQNISA-N 0 0 488.558 4.873 20 0 JJADRN COc1ccc(N(C)C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(OC)c1 ZINC001458154418 1066990008 /nfs/dbraw/zinc/99/00/08/1066990008.db2.gz KCKJWTCNWDLFCH-UHFFFAOYSA-N 0 0 459.296 4.588 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCOC[C@H]1CCCO1)c1ccccc1 ZINC001545731193 1066990104 /nfs/dbraw/zinc/99/01/04/1066990104.db2.gz LGYGYPUGQSLNJH-DHIUTWEWSA-N 0 0 470.658 4.800 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545731277 1066990256 /nfs/dbraw/zinc/99/02/56/1066990256.db2.gz MHXKHAMGGWFJIF-JAXLGGSGSA-N 0 0 471.646 4.691 20 0 JJADRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(C)c1Br ZINC001458154594 1066990267 /nfs/dbraw/zinc/99/02/67/1066990267.db2.gz OLDJMKZTRJVVPJ-VGSWGCGISA-N 0 0 458.444 4.763 20 0 JJADRN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001458154460 1066990327 /nfs/dbraw/zinc/99/03/27/1066990327.db2.gz KZQNLOAAWHFDEM-KPZWWZAWSA-N 0 0 455.477 4.796 20 0 JJADRN COC(=O)c1cc(Cl)cc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1O ZINC001449219800 1066990353 /nfs/dbraw/zinc/99/03/53/1066990353.db2.gz PFTMADDUUABBSM-UHFFFAOYSA-N 0 0 454.310 4.658 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC001545731285 1066990680 /nfs/dbraw/zinc/99/06/80/1066990680.db2.gz MISHDJMRBZXXCR-AWRGLXIESA-N 0 0 462.642 4.723 20 0 JJADRN CCCOc1ccc2c(c1)CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1C)C2 ZINC001458155267 1066990669 /nfs/dbraw/zinc/99/06/69/1066990669.db2.gz QSIUUVWMLMMDGJ-UHFFFAOYSA-N 0 0 454.368 4.931 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)c2cnc3scc(C)n3c2=O)c2cccc(Cl)c2)cc1 ZINC001458155026 1066990699 /nfs/dbraw/zinc/99/06/99/1066990699.db2.gz NGXGSDYTQNFIJM-HXUWFJFHSA-N 0 0 453.951 4.636 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC001545731286 1066990698 /nfs/dbraw/zinc/99/06/98/1066990698.db2.gz MISHDJMRBZXXCR-IMSXRSKXSA-N 0 0 462.642 4.723 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545731298 1066990716 /nfs/dbraw/zinc/99/07/16/1066990716.db2.gz MPNISWYTMLSFKA-FCEUIQTBSA-N 0 0 479.591 4.710 20 0 JJADRN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)cc1 ZINC001449223386 1066990859 /nfs/dbraw/zinc/99/08/59/1066990859.db2.gz UVQYHHOVCAPUMS-VQIMIIECSA-N 0 0 459.384 4.509 20 0 JJADRN CC[C@@H](c1nnc(N2CC(C)(OC)C2)n1Cc1cc(Br)cs1)c1ccccc1 ZINC001545731528 1066991020 /nfs/dbraw/zinc/99/10/20/1066991020.db2.gz POADWILJDVHPSY-GOSISDBHSA-N 0 0 461.429 4.917 20 0 JJADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2OC)c1 ZINC001458155936 1066991358 /nfs/dbraw/zinc/99/13/58/1066991358.db2.gz DJSSNSBKZKSZHC-UHFFFAOYSA-N 0 0 454.548 4.770 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCSCC(C)C)c1ccccc1 ZINC001545731677 1066991546 /nfs/dbraw/zinc/99/15/46/1066991546.db2.gz RHCMEMQKTNWGAD-POGFHVCPSA-N 0 0 472.699 4.984 20 0 JJADRN Cc1cc(C(=O)N2CCSC23CCCCC3)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001449233427 1066991648 /nfs/dbraw/zinc/99/16/48/1066991648.db2.gz CODURDGAVUJLDE-UHFFFAOYSA-N 0 0 450.670 4.573 20 0 JJADRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001449231758 1066991798 /nfs/dbraw/zinc/99/17/98/1066991798.db2.gz ATPPKOCJYTWMMI-OAHLLOKOSA-N 0 0 451.331 4.699 20 0 JJADRN COc1ccc([C@@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)c2ccccc2OC)cc1 ZINC001458157363 1066991775 /nfs/dbraw/zinc/99/17/75/1066991775.db2.gz WTWGLECQMRWPPK-XMMPIXPASA-N 0 0 455.938 4.823 20 0 JJADRN COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C ZINC001458156555 1066991784 /nfs/dbraw/zinc/99/17/84/1066991784.db2.gz GCXYEEANKLBLSP-UQBPGWFLSA-N 0 0 456.539 4.841 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)c1ccccc1 ZINC001545731831 1066992010 /nfs/dbraw/zinc/99/20/10/1066992010.db2.gz SXBPSWXJSFQRIB-HLLBOEOZSA-N 0 0 496.965 4.888 20 0 JJADRN CCCN(CC)c1ccc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cn1 ZINC001449241244 1066992321 /nfs/dbraw/zinc/99/23/21/1066992321.db2.gz AFHOGQLHTISCBY-UHFFFAOYSA-N 0 0 451.474 4.987 20 0 JJADRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001458158318 1066992375 /nfs/dbraw/zinc/99/23/75/1066992375.db2.gz ZZGWEWSGRHZJNE-JTSKRJEESA-N 0 0 452.624 4.717 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCOc1ncccc1F)c1ccccc1 ZINC001545731985 1066992730 /nfs/dbraw/zinc/99/27/30/1066992730.db2.gz VYITZOQWVCZVCK-ILZDJORESA-N 0 0 493.505 4.589 20 0 JJADRN COCCN1C[C@@H](C(=O)N[C@@H](CC2CCCC2)c2ccc(Oc3ccccc3)cc2)CC1=O ZINC001458161255 1066993222 /nfs/dbraw/zinc/99/32/22/1066993222.db2.gz LOFVAVFSYDLYRR-DHLKQENFSA-N 0 0 450.579 4.711 20 0 JJADRN Cc1nc(C)c(Br)c(NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)n1 ZINC001458162858 1066993503 /nfs/dbraw/zinc/99/35/03/1066993503.db2.gz CQQULNWEBKIMFE-QGZVFWFLSA-N 0 0 453.812 4.773 20 0 JJADRN CCOc1cc(Cl)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001458163818 1066993636 /nfs/dbraw/zinc/99/36/36/1066993636.db2.gz YQPJGYQXKKGXHU-GOSISDBHSA-N 0 0 455.769 4.967 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)N1CC[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001449261735 1066993581 /nfs/dbraw/zinc/99/35/81/1066993581.db2.gz FQMPEXRNLBWZGT-QFIPXVFZSA-N 0 0 458.002 4.640 20 0 JJADRN COC[C@@H](C)n1c(SCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001449264204 1066993618 /nfs/dbraw/zinc/99/36/18/1066993618.db2.gz MHBFBUCDDSOGKC-OXQOHEQNSA-N 0 0 456.999 4.872 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1cnc(C)s1)c1ccccc1 ZINC001545732195 1066993610 /nfs/dbraw/zinc/99/36/10/1066993610.db2.gz YYVJJMYVOQNVHY-KYNGSXCRSA-N 0 0 465.545 4.789 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCOCCC(C)C)c1ccccc1 ZINC001545732159 1066993798 /nfs/dbraw/zinc/99/37/98/1066993798.db2.gz YPMHRZPVGYLQFS-GYZWWNDVSA-N 0 0 470.658 4.657 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2oc3ccccc3c2Br)C1 ZINC001545732524 1066994018 /nfs/dbraw/zinc/99/40/18/1066994018.db2.gz GYDQSEAHEUHJID-KBPBESRZSA-N 0 0 451.361 4.961 20 0 JJADRN CCc1ccc([C@@H](O)CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 ZINC001449266511 1066994142 /nfs/dbraw/zinc/99/41/42/1066994142.db2.gz QWJXEWMOIZTGIX-GOTSBHOMSA-N 0 0 454.364 4.981 20 0 JJADRN CCc1ccc([C@@H](O)CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 ZINC001449266534 1066994224 /nfs/dbraw/zinc/99/42/24/1066994224.db2.gz QWJXEWMOIZTGIX-XZOQPEGZSA-N 0 0 454.364 4.981 20 0 JJADRN Cc1ccc(C)c(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Br)CC2)c1 ZINC001458167141 1066994261 /nfs/dbraw/zinc/99/42/61/1066994261.db2.gz VDPXBJLDUPHLDM-INIZCTEOSA-N 0 0 451.792 4.835 20 0 JJADRN Cn1cc(CN(CCn2ccnc2)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cn1 ZINC001449268892 1066994456 /nfs/dbraw/zinc/99/44/56/1066994456.db2.gz JDJLYCJKBYKSDN-VQHVLOKHSA-N 0 0 451.983 4.741 20 0 JJADRN Cn1cc(CN(CCn2ccnc2)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cn1 ZINC001449268782 1066994497 /nfs/dbraw/zinc/99/44/97/1066994497.db2.gz JDJLYCJKBYKSDN-CLFYSBASSA-N 0 0 451.983 4.741 20 0 JJADRN CCOc1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)ccc1OCC(=O)N1CCCCC1 ZINC001449268357 1066994615 /nfs/dbraw/zinc/99/46/15/1066994615.db2.gz WYUTVBYWLIPAKT-OAQYLSRUSA-N 0 0 456.970 4.717 20 0 JJADRN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)NCc1nccnc1Cl ZINC001449269715 1066994625 /nfs/dbraw/zinc/99/46/25/1066994625.db2.gz KZIHLDSAKIFKRX-UHFFFAOYSA-N 0 0 457.909 4.707 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(C(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001545733496 1066994838 /nfs/dbraw/zinc/99/48/38/1066994838.db2.gz CJXAQNPQDKMJIS-IBGZPJMESA-N 0 0 463.548 4.681 20 0 JJADRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001458170199 1066995161 /nfs/dbraw/zinc/99/51/61/1066995161.db2.gz ASXOIVVWJNLBKI-UHFFFAOYSA-N 0 0 459.346 4.764 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCC[C@@H]1OC)c1ccccc1 ZINC001545733538 1066995177 /nfs/dbraw/zinc/99/51/77/1066995177.db2.gz CYFNIFMMBMRWPM-NJYVYQBISA-N 0 0 478.559 4.983 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(COC)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545733566 1066995211 /nfs/dbraw/zinc/99/52/11/1066995211.db2.gz DNJITHBPXZUQGM-OFNKIYASSA-N 0 0 483.657 4.858 20 0 JJADRN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001449284509 1066995455 /nfs/dbraw/zinc/99/54/55/1066995455.db2.gz LCASIAQUJKRAKX-HIFRSBDPSA-N 0 0 457.411 4.725 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001458171299 1066995483 /nfs/dbraw/zinc/99/54/83/1066995483.db2.gz MPJBACWFXPWXHU-SCLBCKFNSA-N 0 0 458.396 4.797 20 0 JJADRN CCSc1ccc(Cl)cc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC001458172102 1066995583 /nfs/dbraw/zinc/99/55/83/1066995583.db2.gz KEHQMAGQDPOGTA-UHFFFAOYSA-N 0 0 452.407 4.502 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ncc(-c2cccnc2)s1 ZINC001449281719 1066995537 /nfs/dbraw/zinc/99/55/37/1066995537.db2.gz KEMKIYGFHRIAOP-GOSISDBHSA-N 0 0 450.467 4.594 20 0 JJADRN C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001458171294 1066995659 /nfs/dbraw/zinc/99/56/59/1066995659.db2.gz MPJBACWFXPWXHU-FZKQIMNGSA-N 0 0 458.396 4.797 20 0 JJADRN COC(=O)[C@H](CNC(=O)c1c(C)ccc2cc(C)ccc21)Oc1ccc(Br)cc1 ZINC001449289062 1066995814 /nfs/dbraw/zinc/99/58/14/1066995814.db2.gz UAPKCFUINGAFPW-FQEVSTJZSA-N 0 0 456.336 4.570 20 0 JJADRN CCOC(=O)c1cnn(C2CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)c1C ZINC001449293303 1066996207 /nfs/dbraw/zinc/99/62/07/1066996207.db2.gz GUSDVXURJACUFG-UHFFFAOYSA-N 0 0 454.596 4.554 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC001545733988 1066996375 /nfs/dbraw/zinc/99/63/75/1066996375.db2.gz LPOJHFSIHPJLAT-ACESQOTJSA-N 0 0 468.642 4.661 20 0 JJADRN CS(=O)(=O)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC001458174119 1066996425 /nfs/dbraw/zinc/99/64/25/1066996425.db2.gz MYWMFKFYUBYLTD-UHFFFAOYSA-N 0 0 454.342 4.973 20 0 JJADRN CC(C)(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 ZINC001458174815 1066996825 /nfs/dbraw/zinc/99/68/25/1066996825.db2.gz SHIJZNVZAJHQSM-HOFKKMOUSA-N 0 0 450.579 4.571 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)OC ZINC001546012979 1066996738 /nfs/dbraw/zinc/99/67/38/1066996738.db2.gz SDBVJQJFQSDACT-LSWJPFSZSA-N 0 0 456.631 4.585 20 0 JJADRN CC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001546012958 1066996748 /nfs/dbraw/zinc/99/67/48/1066996748.db2.gz RSSHPZJKNSQSPM-SFHVURJKSA-N 0 0 461.582 4.536 20 0 JJADRN CC[C@H](c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H]1OCC[C@H]1C)c1ccccc1 ZINC001545734320 1066997333 /nfs/dbraw/zinc/99/73/33/1066997333.db2.gz QRDDQKQRZBKZFE-CXEBNRJLSA-N 0 0 480.575 4.775 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(COC)CC2)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545734275 1066997342 /nfs/dbraw/zinc/99/73/42/1066997342.db2.gz PTNVJWDQIVFDGA-XMSQKQJNSA-N 0 0 467.639 4.815 20 0 JJADRN Cc1cccc(NC(=O)NCC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449308034 1066997459 /nfs/dbraw/zinc/99/74/59/1066997459.db2.gz AJHNPKCUFPCALA-GOSISDBHSA-N 0 0 453.757 4.826 20 0 JJADRN Cc1nnc(SCC(=O)NCc2ccc(OC3CCCC3)cc2)n1-c1cc(C)ccc1C ZINC001449308298 1066997590 /nfs/dbraw/zinc/99/75/90/1066997590.db2.gz FDHCKFADJHOJGX-UHFFFAOYSA-N 0 0 450.608 4.922 20 0 JJADRN CCc1cc2c(CC(=O)Nc3ccc(Br)cc3S(C)(=O)=O)csc2s1 ZINC001458176313 1066997558 /nfs/dbraw/zinc/99/75/58/1066997558.db2.gz YRWATBDXGROGGE-UHFFFAOYSA-N 0 0 458.424 4.872 20 0 JJADRN Cc1nc(C)c(Br)c(N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n1 ZINC001458176800 1066997626 /nfs/dbraw/zinc/99/76/26/1066997626.db2.gz BWSSBHYAVRPJTP-ZDUSSCGKSA-N 0 0 454.210 4.502 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@]1(O)CCC[C@@H]1C)c1ccccc1 ZINC001545734536 1066997668 /nfs/dbraw/zinc/99/76/68/1066997668.db2.gz VAWKGRHWSXQRGI-WPSZSDGUSA-N 0 0 478.559 4.719 20 0 JJADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC001458178138 1066997902 /nfs/dbraw/zinc/99/79/02/1066997902.db2.gz XTPTWTYLPQQXDG-RXVVDRJESA-N 0 0 458.530 4.819 20 0 JJADRN CC[C@H](c1nnc(N2CC=C(C)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545734635 1066998034 /nfs/dbraw/zinc/99/80/34/1066998034.db2.gz WYPODCKGBVYSAD-QFIPXVFZSA-N 0 0 451.615 4.843 20 0 JJADRN CC[C@@H](c1nnc(N2CC=C(C)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001545734634 1066998093 /nfs/dbraw/zinc/99/80/93/1066998093.db2.gz WYPODCKGBVYSAD-JOCHJYFZSA-N 0 0 451.615 4.843 20 0 JJADRN Cc1cc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c2ccc(F)cc2n1 ZINC001449309943 1066998082 /nfs/dbraw/zinc/99/80/82/1066998082.db2.gz KPILZVKGMMYKAQ-UHFFFAOYSA-N 0 0 457.303 4.577 20 0 JJADRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 ZINC001458178757 1066998182 /nfs/dbraw/zinc/99/81/82/1066998182.db2.gz ATIBBLWDPQSAOP-RVMZIBIISA-N 0 0 450.627 4.613 20 0 JJADRN COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCc3c(C)cc(C)cc3C)C2)c2ccccc12 ZINC001458179012 1066998339 /nfs/dbraw/zinc/99/83/39/1066998339.db2.gz BJFVNACATIUSBY-QFIPXVFZSA-N 0 0 458.602 4.985 20 0 JJADRN CC1(C)C[C@@H](C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c2ccccc2O1 ZINC001449311627 1066998336 /nfs/dbraw/zinc/99/83/36/1066998336.db2.gz FPDBDULZOMGYPK-GOSISDBHSA-N 0 0 458.356 4.612 20 0 JJADRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001449311201 1066998408 /nfs/dbraw/zinc/99/84/08/1066998408.db2.gz AIKUGJXUQWHZGK-LBPRGKRZSA-N 0 0 455.805 4.520 20 0 JJADRN CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)NC(=O)OC(C)(C)C ZINC001546013047 1066998441 /nfs/dbraw/zinc/99/84/41/1066998441.db2.gz SYTQRHGMWDNEEC-HSALFYBXSA-N 0 0 489.686 4.799 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001545735433 1066998449 /nfs/dbraw/zinc/99/84/49/1066998449.db2.gz AEHMTVQWVBFHFA-YKSBVNFPSA-N 0 0 451.659 4.951 20 0 JJADRN CSc1ccc(/C=C/C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)s1 ZINC001449315423 1066998880 /nfs/dbraw/zinc/99/88/80/1066998880.db2.gz WZWNWGUFVYIJNP-ZZXKWVIFSA-N 0 0 452.399 4.764 20 0 JJADRN CN(C(=O)c1cc(Cl)c2cc(Cl)ccc2n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001458182368 1066998886 /nfs/dbraw/zinc/99/88/86/1066998886.db2.gz KOJQWRFMHHBSIC-QGZVFWFLSA-N 0 0 455.750 4.796 20 0 JJADRN COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(Br)c1OC ZINC001458182957 1066998975 /nfs/dbraw/zinc/99/89/75/1066998975.db2.gz CFJZEBVMFRFKHK-UHFFFAOYSA-N 0 0 454.733 4.891 20 0 JJADRN C[C@@H](c1ccccc1Br)N(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC001458183472 1066999278 /nfs/dbraw/zinc/99/92/78/1066999278.db2.gz NRLIBUDQDGQKLD-AWEZNQCLSA-N 0 0 458.381 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(C)(C)CC2)n1CC[C@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545736047 1066999791 /nfs/dbraw/zinc/99/97/91/1066999791.db2.gz KGJORPKFPXCKSZ-FGZHOGPDSA-N 0 0 475.628 4.802 20 0 JJADRN CC[C@H](c1nnc(N2CCC(C)(C)CC2)n1CC[C@H](C(F)F)N1CCOCC1)c1ccccc1 ZINC001545736046 1066999809 /nfs/dbraw/zinc/99/98/09/1066999809.db2.gz KGJORPKFPXCKSZ-FCHUYYIVSA-N 0 0 475.628 4.802 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001449327012 1066999916 /nfs/dbraw/zinc/99/99/16/1066999916.db2.gz KEWHYUOYTYODCG-UHFFFAOYSA-N 0 0 459.493 4.935 20 0 JJADRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)CCc2ccc(F)c3c2CCCC3)C1 ZINC001449325985 1066999980 /nfs/dbraw/zinc/99/99/80/1066999980.db2.gz LWLVLCUXLJGTGI-HSZRJFAPSA-N 0 0 450.598 4.767 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H](OC)C1CC1)c1ccccc1 ZINC001545736603 1067000039 /nfs/dbraw/zinc/00/00/39/1067000039.db2.gz SODANDYCPMKLRC-LSUHJGNXSA-N 0 0 497.684 4.985 20 0 JJADRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC001458187423 1067000492 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QJKCKRULUCVRJA-OAQYLSRUSA-N 0 0 453.029 4.517 20 0 JJADRN COCCCOc1cccc(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)c1 ZINC001458197812 1067001815 /nfs/dbraw/zinc/00/18/15/1067001815.db2.gz YZZUCGGBDGFNBB-UHFFFAOYSA-N 0 0 457.521 4.929 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H](C)c1nccs1)c1ccccc1 ZINC001545738341 1067002233 /nfs/dbraw/zinc/00/22/33/1067002233.db2.gz GPHJCAKXXAYLIX-GHTZIAJQSA-N 0 0 466.655 4.562 20 0 JJADRN CC(C)[C@@H]1CCc2ccccc2N1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001458200604 1067002234 /nfs/dbraw/zinc/00/22/34/1067002234.db2.gz GKXHYRDQMGLYFA-SFHVURJKSA-N 0 0 457.368 4.569 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCSCC(C)C)c1ccccc1 ZINC001545738420 1067002557 /nfs/dbraw/zinc/00/25/57/1067002557.db2.gz HUMFVNHGROVMOG-GGAORHGYSA-N 0 0 452.672 4.937 20 0 JJADRN CC[C@@H](c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)COC)c1ccccc1 ZINC001545738375 1067002575 /nfs/dbraw/zinc/00/25/75/1067002575.db2.gz HEJDEELZHABQDU-RBBKRZOGSA-N 0 0 485.673 4.844 20 0 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CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1 ZINC001545738650 1067003381 /nfs/dbraw/zinc/00/33/81/1067003381.db2.gz LRWKDHKRQBXXEB-YMPZKCBVSA-N 0 0 493.618 4.956 20 0 JJADRN Cc1ccc(OCCCC(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(Cl)c1 ZINC001458210602 1067003513 /nfs/dbraw/zinc/00/35/13/1067003513.db2.gz DKVDMTAPIGEATC-BJLQDIEVSA-N 0 0 451.007 4.959 20 0 JJADRN Cc1c(I)cccc1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC001458209606 1067003523 /nfs/dbraw/zinc/00/35/23/1067003523.db2.gz MTNXHSLMCZITLE-AWEZNQCLSA-N 0 0 455.164 4.911 20 0 JJADRN O=C(c1ccccc1CSc1nc2ccccc2o1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC001449359798 1067003804 /nfs/dbraw/zinc/00/38/04/1067003804.db2.gz ZXXPTKNAVDYNGB-WBVHZDCISA-N 0 0 450.482 4.753 20 0 JJADRN COc1cc(-c2cc(C(=O)OCc3cnc(C)nc3C)c3ccccc3n2)cc(OC)c1OC ZINC001458211132 1067003915 /nfs/dbraw/zinc/00/39/15/1067003915.db2.gz CPQITEXETSMMKI-UHFFFAOYSA-N 0 0 459.502 4.691 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)C1 ZINC001449361239 1067003880 /nfs/dbraw/zinc/00/38/80/1067003880.db2.gz XUFFGOBYAJKXHR-HOFKKMOUSA-N 0 0 452.595 4.786 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC001545738932 1067003879 /nfs/dbraw/zinc/00/38/79/1067003879.db2.gz QIVRUVSERVOVRT-GGAORHGYSA-N 0 0 463.626 4.913 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCc1csc(C(C)C)n1)c1ccccc1 ZINC001545738849 1067003940 /nfs/dbraw/zinc/00/39/40/1067003940.db2.gz PFHZRRQRZMHGQI-JOCHJYFZSA-N 0 0 480.682 4.734 20 0 JJADRN COC(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC001449363924 1067004104 /nfs/dbraw/zinc/00/41/04/1067004104.db2.gz GTPIDNCKTNCJLY-UHFFFAOYSA-N 0 0 458.514 4.669 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)C1 ZINC001449361249 1067004114 /nfs/dbraw/zinc/00/41/14/1067004114.db2.gz XUFFGOBYAJKXHR-WNCULLNHSA-N 0 0 452.595 4.786 20 0 JJADRN 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CCC[C@H](C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(Cl)cc1 ZINC001449377950 1067005190 /nfs/dbraw/zinc/00/51/90/1067005190.db2.gz QMCVWBTYZDMVFV-OFVILXPXSA-N 0 0 453.970 4.765 20 0 JJADRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001458216255 1067005307 /nfs/dbraw/zinc/00/53/07/1067005307.db2.gz ZNLYLVPKBJTDLN-STEAMIEHSA-N 0 0 456.505 4.625 20 0 JJADRN O=C(c1cc(F)c(Cl)cc1F)N(CCn1ccnc1)Cc1ccccc1Br ZINC001449378549 1067005592 /nfs/dbraw/zinc/00/55/92/1067005592.db2.gz YIJOOBADZSXBBX-UHFFFAOYSA-N 0 0 454.702 4.920 20 0 JJADRN COC(=O)c1cn(-c2cccc(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)nn1 ZINC001449383503 1067005668 /nfs/dbraw/zinc/00/56/68/1067005668.db2.gz ALCBUZOAILRXLG-UHFFFAOYSA-N 0 0 450.539 4.607 20 0 JJADRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001449384407 1067005815 /nfs/dbraw/zinc/00/58/15/1067005815.db2.gz CBFAWOIDCJXZHM-HNNXBMFYSA-N 0 0 456.530 4.804 20 0 JJADRN 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CC[C@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@](C)(O)c1ccsc1)c1ccccc1 ZINC001545741025 1067006974 /nfs/dbraw/zinc/00/69/74/1067006974.db2.gz ILONANCVTPVYGW-WNCULLNHSA-N 0 0 495.693 4.530 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)c(Br)c1 ZINC001458224955 1067007059 /nfs/dbraw/zinc/00/70/59/1067007059.db2.gz YJPFKQIFQRVYQZ-CYBMUJFWSA-N 0 0 459.402 4.917 20 0 JJADRN COc1ccc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001458224340 1067007120 /nfs/dbraw/zinc/00/71/20/1067007120.db2.gz XHIVGYJVOLPJOB-CHWSQXEVSA-N 0 0 452.732 4.768 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545741047 1067007129 /nfs/dbraw/zinc/00/71/29/1067007129.db2.gz IULCOOXDORWGHA-PRVBGKCFSA-N 0 0 481.685 4.909 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1)c1ccccc1 ZINC001545741048 1067007163 /nfs/dbraw/zinc/00/71/63/1067007163.db2.gz IULCOOXDORWGHA-VYKTZEHYSA-N 0 0 481.685 4.909 20 0 JJADRN CC[C@H](c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1CCCCS1)c1ccccc1 ZINC001545741094 1067007219 /nfs/dbraw/zinc/00/72/19/1067007219.db2.gz JUPGPOOOWQVSLY-GOTSBHOMSA-N 0 0 469.699 4.847 20 0 JJADRN COc1ccc(Cl)cc1NC(=O)CCNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC001458229267 1067007663 /nfs/dbraw/zinc/00/76/63/1067007663.db2.gz KTGRKODACPSHBP-UHFFFAOYSA-N 0 0 451.836 4.660 20 0 JJADRN CC[C@H](c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCOC(C)C)c1ccccc1 ZINC001545741510 1067008226 /nfs/dbraw/zinc/00/82/26/1067008226.db2.gz RLPWERXFCAAEKW-QFIPXVFZSA-N 0 0 457.022 4.936 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)CSc1ccc(F)c(F)c1 ZINC001449409530 1067008276 /nfs/dbraw/zinc/00/82/76/1067008276.db2.gz PXJKEYYBUXRNDF-UHFFFAOYSA-N 0 0 450.551 4.653 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545741816 1067008474 /nfs/dbraw/zinc/00/84/74/1067008474.db2.gz WYGAJXMTWAUQKQ-SFHVURJKSA-N 0 0 464.441 4.882 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545741815 1067008487 /nfs/dbraw/zinc/00/84/87/1067008487.db2.gz WYGAJXMTWAUQKQ-GOSISDBHSA-N 0 0 464.441 4.882 20 0 JJADRN O=C(Nc1nc(Cc2ccccc2Br)cs1)c1cccc(OCC(F)F)n1 ZINC001458231360 1067008682 /nfs/dbraw/zinc/00/86/82/1067008682.db2.gz ZLPYZFIQGZGVHE-UHFFFAOYSA-N 0 0 454.296 4.788 20 0 JJADRN CC[C@@H](C)[C@@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001545741955 1067008838 /nfs/dbraw/zinc/00/88/38/1067008838.db2.gz ZTQCWYCKCPQDDT-DWXMKNPPSA-N 0 0 485.673 4.721 20 0 JJADRN O=C(c1cc2cccc(C(F)(F)F)c2[nH]c1=O)N1CCc2ccc(Br)cc2C1 ZINC001449418749 1067008987 /nfs/dbraw/zinc/00/89/87/1067008987.db2.gz XLJNCPIWHAKDED-UHFFFAOYSA-N 0 0 451.242 4.920 20 0 JJADRN CC[C@@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545742918 1067009187 /nfs/dbraw/zinc/00/91/87/1067009187.db2.gz AHWIAGWDQGGBTO-JOCHJYFZSA-N 0 0 469.674 4.766 20 0 JJADRN CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2ccc(F)cc2)C1)OC ZINC001546014186 1067009211 /nfs/dbraw/zinc/00/92/11/1067009211.db2.gz DFVSHCPJHBTWOJ-MPJJRAAHSA-N 0 0 487.620 4.607 20 0 JJADRN CC[C@H](c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCCCCO)c1ccccc1 ZINC001545743174 1067009812 /nfs/dbraw/zinc/00/98/12/1067009812.db2.gz FNNFOKSIAWBEKV-FQEVSTJZSA-N 0 0 488.558 4.744 20 0 JJADRN O=C(NC[C@H](c1nnc[nH]1)c1ccccc1)C1(c2ccccc2Br)CCCCC1 ZINC001449449358 1067009772 /nfs/dbraw/zinc/00/97/72/1067009772.db2.gz FADWZWOGZCJPME-SFHVURJKSA-N 0 0 453.384 4.717 20 0 JJADRN CC[C@H](c1nnc(N2CC[C@@H](OCCOC)C2)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545743244 1067009860 /nfs/dbraw/zinc/00/98/60/1067009860.db2.gz GWAVFDKAQKZJBN-RTWAWAEBSA-N 0 0 483.682 4.864 20 0 JJADRN O=C(Nc1c(Br)cc(F)cc1Br)c1cccc(Cn2ccnc2)c1 ZINC001458240706 1067010137 /nfs/dbraw/zinc/01/01/37/1067010137.db2.gz AZUQCXICPFWYLT-UHFFFAOYSA-N 0 0 453.109 4.848 20 0 JJADRN CC[C@H](c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545743584 1067010224 /nfs/dbraw/zinc/01/02/24/1067010224.db2.gz NEDGDHQYYKUNNE-FQEVSTJZSA-N 0 0 455.557 4.736 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1(C(C)(C)c3ccccc3)CC1)C2=O ZINC001449472968 1067010896 /nfs/dbraw/zinc/01/08/96/1067010896.db2.gz IAJNIEPMEPGEDU-UHFFFAOYSA-N 0 0 453.627 4.530 20 0 JJADRN Cc1cc(CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)cc(NC(=O)OC(C)(C)C)c1 ZINC001449471806 1067011019 /nfs/dbraw/zinc/01/10/19/1067011019.db2.gz RDVINQFTJUHPEH-UHFFFAOYSA-N 0 0 457.518 4.508 20 0 JJADRN CC[C@H](c1nnc(N2CCC(OCCC(C)C)CC2)n1Cc1ccc(C)n(C)c1=O)c1ccccc1 ZINC001545744159 1067011276 /nfs/dbraw/zinc/01/12/76/1067011276.db2.gz XGVWZZCRKGPLEY-SANMLTNESA-N 0 0 491.680 4.907 20 0 JJADRN CC[C@H](c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545744304 1067011310 /nfs/dbraw/zinc/01/13/10/1067011310.db2.gz ZVIZLQXYPIHGQG-DLBZAZTESA-N 0 0 494.480 4.681 20 0 JJADRN COc1cc(Br)c(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1OC ZINC001458247034 1067011581 /nfs/dbraw/zinc/01/15/81/1067011581.db2.gz NMUZTVZISJHEID-QGZVFWFLSA-N 0 0 450.226 4.813 20 0 JJADRN COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC001449481479 1067011592 /nfs/dbraw/zinc/01/15/92/1067011592.db2.gz BNYXLJVVEMTADV-IBGZPJMESA-N 0 0 453.951 4.726 20 0 JJADRN COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001449492589 1067011883 /nfs/dbraw/zinc/01/18/83/1067011883.db2.gz VTSDUELFNXDPPP-CQSZACIVSA-N 0 0 452.654 4.593 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](C(C)C)C2)n1CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC001545745527 1067011960 /nfs/dbraw/zinc/01/19/60/1067011960.db2.gz CCGBXAIZABQMRM-VXKWHMMOSA-N 0 0 460.688 4.906 20 0 JJADRN CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1CCCc1c[nH]nc1C)c1ccccc1 ZINC001545745626 1067012345 /nfs/dbraw/zinc/01/23/45/1067012345.db2.gz DLTBPRGAWYJBIQ-OAQYLSRUSA-N 0 0 469.431 4.973 20 0 JJADRN COc1cc(/C=C(\C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c2ccccc2)ccc1O ZINC001449504463 1067012408 /nfs/dbraw/zinc/01/24/08/1067012408.db2.gz DIUIZOSSFNRXKY-RIWZNOJBSA-N 0 0 457.530 4.792 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1)OC ZINC001546014982 1067012437 /nfs/dbraw/zinc/01/24/37/1067012437.db2.gz RHTKMKFFJBQIDX-SFHVURJKSA-N 0 0 493.102 4.822 20 0 JJADRN Cc1nc2cc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)ccc2n1[C@@H](C)CO ZINC001449515894 1067012446 /nfs/dbraw/zinc/01/24/46/1067012446.db2.gz HDJMXAMBANWPQI-AWEZNQCLSA-N 0 0 457.372 4.513 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC001545745652 1067012472 /nfs/dbraw/zinc/01/24/72/1067012472.db2.gz DUDUVVAOEMDJMB-XWVZOOPGSA-N 0 0 467.658 4.507 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1cc(COC(C)(C)C)on1)c1ccccc1 ZINC001545745732 1067012500 /nfs/dbraw/zinc/01/25/00/1067012500.db2.gz FYQQCMBKDTVOIS-NZQKXSOJSA-N 0 0 495.624 4.561 20 0 JJADRN COc1cccc2c1CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC001458252328 1067012453 /nfs/dbraw/zinc/01/24/53/1067012453.db2.gz HEAXSEPIPFFCMB-WZONZLPQSA-N 0 0 458.961 4.761 20 0 JJADRN Cc1nc2cc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)ccc2n1[C@H](C)CO ZINC001449515901 1067012744 /nfs/dbraw/zinc/01/27/44/1067012744.db2.gz HDJMXAMBANWPQI-CQSZACIVSA-N 0 0 457.372 4.513 20 0 JJADRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccc(O)c2ncccc12 ZINC001449524749 1067012758 /nfs/dbraw/zinc/01/27/58/1067012758.db2.gz ZVBNWQQARKWTOV-UHFFFAOYSA-N 0 0 455.345 4.909 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545745835 1067012774 /nfs/dbraw/zinc/01/27/74/1067012774.db2.gz HEXRKNHXTVBGQA-ISKFKSNPSA-N 0 0 481.685 4.625 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC1CCOCC1)c1ccccc1 ZINC001545745836 1067012794 /nfs/dbraw/zinc/01/27/94/1067012794.db2.gz HEXRKNHXTVBGQA-LADGPHEKSA-N 0 0 481.685 4.625 20 0 JJADRN CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458253399 1067012957 /nfs/dbraw/zinc/01/29/57/1067012957.db2.gz GINIJZATZDGQGS-DENIHFKCSA-N 0 0 459.880 4.754 20 0 JJADRN C[C@@](CO)(NC(=O)c1csc(COc2ccc(F)cc2)n1)c1cc(Cl)cc(Cl)c1 ZINC001449527035 1067012947 /nfs/dbraw/zinc/01/29/47/1067012947.db2.gz BAXUTCKWEBLBKY-FQEVSTJZSA-N 0 0 455.338 4.806 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC1([S@@](C)=O)CCC1)c1ccccc1 ZINC001545745861 1067013086 /nfs/dbraw/zinc/01/30/86/1067013086.db2.gz HOYPBQGWYYMBFU-USCOGLTBSA-N 0 0 468.589 4.900 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC1CCCCC1)c1ccccc1 ZINC001545745905 1067013157 /nfs/dbraw/zinc/01/31/57/1067013157.db2.gz ICAVFKUGGVGOEF-ISKFKSNPSA-N 0 0 487.714 4.508 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545745899 1067013196 /nfs/dbraw/zinc/01/31/96/1067013196.db2.gz IBPRZNOKYBBHCV-WWNPGLIZSA-N 0 0 471.715 4.950 20 0 JJADRN COc1cn(-c2ccccc2)nc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458253857 1067013247 /nfs/dbraw/zinc/01/32/47/1067013247.db2.gz CLBRRDWTPVVXCT-UHFFFAOYSA-N 0 0 459.377 4.582 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)CCCCCC1 ZINC001449528680 1067013286 /nfs/dbraw/zinc/01/32/86/1067013286.db2.gz URWSKOONBZHZME-UHFFFAOYSA-N 0 0 452.599 4.860 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCNC(=O)c1ccco1)c1ccccc1 ZINC001545745993 1067013574 /nfs/dbraw/zinc/01/35/74/1067013574.db2.gz IXZHSKLDSBKQFB-RBUKOAKNSA-N 0 0 475.515 4.622 20 0 JJADRN CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1F)C1CC1)OC ZINC001546015219 1067013638 /nfs/dbraw/zinc/01/36/38/1067013638.db2.gz WDLPKOXZESKAMO-SVFBPWRDSA-N 0 0 487.620 4.782 20 0 JJADRN CC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001546015267 1067013754 /nfs/dbraw/zinc/01/37/54/1067013754.db2.gz XEJOYYJFPLDKMA-FCHUYYIVSA-N 0 0 468.671 4.959 20 0 JJADRN Cc1cc(NC(=O)c2ccc(F)c(I)c2)cnc1N1CCCC[C@@H]1C ZINC001458255583 1067014022 /nfs/dbraw/zinc/01/40/22/1067014022.db2.gz GRJLSZOILKXUGK-ZDUSSCGKSA-N 0 0 453.299 4.765 20 0 JJADRN CC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)OC ZINC001546015269 1067014112 /nfs/dbraw/zinc/01/41/12/1067014112.db2.gz XEJOYYJFPLDKMA-VXKWHMMOSA-N 0 0 468.671 4.959 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545746283 1067014243 /nfs/dbraw/zinc/01/42/43/1067014243.db2.gz MNTJIMVSDIXMMF-UPVQGACJSA-N 0 0 479.673 4.760 20 0 JJADRN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(Oc2ccccc2Cl)nc1 ZINC001449545282 1067014318 /nfs/dbraw/zinc/01/43/18/1067014318.db2.gz UXAPOFSNTSMCKC-QGZVFWFLSA-N 0 0 452.816 4.889 20 0 JJADRN CCCCN(C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)[C@@H]1CCCC[C@H]1OC ZINC001449553620 1067014473 /nfs/dbraw/zinc/01/44/73/1067014473.db2.gz SPVLOPPYIJYIMG-NHCUHLMSSA-N 0 0 463.619 4.989 20 0 JJADRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC001458257916 1067014646 /nfs/dbraw/zinc/01/46/46/1067014646.db2.gz YQOFZFPNCFEIJM-MRXNPFEDSA-N 0 0 451.311 4.814 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001449570014 1067014873 /nfs/dbraw/zinc/01/48/73/1067014873.db2.gz IYBXZEWWCPSJGW-ZCNNSNEGSA-N 0 0 464.484 4.952 20 0 JJADRN Cc1cc(NC(=O)c2nn(-c3ccccc3)cc2Br)cnc1N1CCCC[C@H]1C ZINC001458259475 1067014936 /nfs/dbraw/zinc/01/49/36/1067014936.db2.gz QIICUMRSOREMDR-MRXNPFEDSA-N 0 0 454.372 4.969 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@](C)(O)c1cccs1)c1ccccc1 ZINC001545746617 1067015005 /nfs/dbraw/zinc/01/50/05/1067015005.db2.gz RVQMTQKSAHGZOR-DCEDVJGZSA-N 0 0 454.640 4.795 20 0 JJADRN COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001458259457 1067014991 /nfs/dbraw/zinc/01/49/91/1067014991.db2.gz QVBIDXVNVOZRPN-XLIONFOSSA-N 0 0 457.304 4.761 20 0 JJADRN CC[C@@H](Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1)C(C)(C)c1ccccc1 ZINC001458258855 1067015094 /nfs/dbraw/zinc/01/50/94/1067015094.db2.gz GNFOVSQRGXRWHH-LJQANCHMSA-N 0 0 450.587 4.786 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545746678 1067015238 /nfs/dbraw/zinc/01/52/38/1067015238.db2.gz SSYZBWZQDKARBD-IRLDBZIGSA-N 0 0 485.673 4.722 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 ZINC001458259514 1067015253 /nfs/dbraw/zinc/01/52/53/1067015253.db2.gz RGZWJVSBEAWQHS-UHFFFAOYSA-N 0 0 451.539 4.855 20 0 JJADRN COCC[C@H](NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)c1cccc(C(F)(F)F)c1 ZINC001449572347 1067015371 /nfs/dbraw/zinc/01/53/71/1067015371.db2.gz AMYDZNSKWDCUCX-KSZLIROESA-N 0 0 472.458 4.810 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C)C2)n1CCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545746902 1067015693 /nfs/dbraw/zinc/01/56/93/1067015693.db2.gz WXWUUQKHJIDKGV-IEBWSBKVSA-N 0 0 473.547 4.977 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC001449580916 1067015658 /nfs/dbraw/zinc/01/56/58/1067015658.db2.gz IHDDFTRSWDKZOQ-IZZNHLLZSA-N 0 0 478.614 4.570 20 0 JJADRN Brc1ccc2c(c1)CCN2c1ncnc2cc(I)sc21 ZINC001458261212 1067015799 /nfs/dbraw/zinc/01/57/99/1067015799.db2.gz GSSDUFQXBCSWQO-UHFFFAOYSA-N 0 0 458.122 4.753 20 0 JJADRN CCCOc1cccc(CCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 ZINC001458261258 1067015812 /nfs/dbraw/zinc/01/58/12/1067015812.db2.gz HPRBPDCOROGMGW-UHFFFAOYSA-N 0 0 452.864 4.743 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001449588924 1067015949 /nfs/dbraw/zinc/01/59/49/1067015949.db2.gz JPTORQLDFYMCHR-IBGZPJMESA-N 0 0 455.396 4.773 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCc4c(F)cc(F)cc4C3)cc2)c1 ZINC001546015566 1067016030 /nfs/dbraw/zinc/01/60/30/1067016030.db2.gz DPJLGLVRQSCBBP-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN CC[C@H](c1nnc(N2CCC=C(Br)C2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545746983 1067016246 /nfs/dbraw/zinc/01/62/46/1067016246.db2.gz XVTBUJFUVFPFKY-ADXZGYQBSA-N 0 0 479.488 4.856 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ncoc2CCC(F)(F)F)CC1 ZINC001449584273 1067016241 /nfs/dbraw/zinc/01/62/41/1067016241.db2.gz JCIKQSYFSMBVNU-QGZVFWFLSA-N 0 0 459.509 4.667 20 0 JJADRN Cc1nc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)sc1Br ZINC001546015607 1067016388 /nfs/dbraw/zinc/01/63/88/1067016388.db2.gz GFYQBPNUGQHXSH-JOCHJYFZSA-N 0 0 457.393 4.690 20 0 JJADRN Cc1c2ccc(F)cc2sc1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC001449594081 1067016601 /nfs/dbraw/zinc/01/66/01/1067016601.db2.gz KPAWFPMWLWEPCY-CYBMUJFWSA-N 0 0 454.336 4.831 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC001449589023 1067016616 /nfs/dbraw/zinc/01/66/16/1067016616.db2.gz MBMPXYHWCXINKB-HXUWFJFHSA-N 0 0 458.628 4.539 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC1(O)CCOCC1)c1ccccc1 ZINC001545747180 1067016621 /nfs/dbraw/zinc/01/66/21/1067016621.db2.gz ZXMGUYYEVZPCIB-WOJBJXKFSA-N 0 0 466.548 4.530 20 0 JJADRN O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1(c2ccccc2F)CCCC1 ZINC001449598842 1067016868 /nfs/dbraw/zinc/01/68/68/1067016868.db2.gz HZZANMQTWJLRCK-INIZCTEOSA-N 0 0 452.339 4.507 20 0 JJADRN Cc1cc(-c2nc(C(=O)N3CCC([C@@H]4N(C(=O)OC(C)(C)C)CC4(C)C)CC3)co2)ccn1 ZINC001449602753 1067017029 /nfs/dbraw/zinc/01/70/29/1067017029.db2.gz UVGVWOQPILKLRH-FQEVSTJZSA-N 0 0 454.571 4.543 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)C1(C(=O)OC)CC2(CCC2)C1 ZINC001458271479 1067017186 /nfs/dbraw/zinc/01/71/86/1067017186.db2.gz GHHSVZFCAODKPS-LJQANCHMSA-N 0 0 452.517 4.646 20 0 JJADRN COc1cccc([C@H]2C[C@H](NC(=O)c3c(C)nn(-c4ccc(Br)cc4)c3C)C2)c1 ZINC001449605332 1067017276 /nfs/dbraw/zinc/01/72/76/1067017276.db2.gz CDFDYIYHJOLZCS-UAPYVXQJSA-N 0 0 454.368 4.936 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccnc(Br)c1 ZINC001458271161 1067017353 /nfs/dbraw/zinc/01/73/53/1067017353.db2.gz DSLRWALCTBZFED-KRWDZBQOSA-N 0 0 456.306 4.994 20 0 JJADRN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC001458271802 1067017393 /nfs/dbraw/zinc/01/73/93/1067017393.db2.gz ACKDBNCPOYTRND-LLVKDONJSA-N 0 0 451.413 4.744 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545748586 1067017532 /nfs/dbraw/zinc/01/75/32/1067017532.db2.gz CEXDFVLJOBBUEB-XQBPLPMBSA-N 0 0 469.655 4.895 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001449604695 1067017570 /nfs/dbraw/zinc/01/75/70/1067017570.db2.gz DYPGHNABMMSGDS-ZDUSSCGKSA-N 0 0 450.894 4.591 20 0 JJADRN CC(C)(C)c1ccc(CCC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC001449608372 1067018061 /nfs/dbraw/zinc/01/80/61/1067018061.db2.gz SCSNZLMRPWPPNK-SFHVURJKSA-N 0 0 450.392 4.786 20 0 JJADRN CC[C@H](C)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001449628664 1067018240 /nfs/dbraw/zinc/01/82/40/1067018240.db2.gz WSIIVOISFGTUQS-KRWDZBQOSA-N 0 0 457.500 4.509 20 0 JJADRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC001458273338 1067018293 /nfs/dbraw/zinc/01/82/93/1067018293.db2.gz RQYGADNOEGSBNJ-DYESRHJHSA-N 0 0 459.512 4.567 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@H]3CCCC[C@H]3c3ccccc3)[nH]n2)C1 ZINC001449634192 1067018330 /nfs/dbraw/zinc/01/83/30/1067018330.db2.gz COHOVOWSAXLVHA-HKBOAZHASA-N 0 0 452.599 4.838 20 0 JJADRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1occc1COc1ccccc1 ZINC001449623967 1067018385 /nfs/dbraw/zinc/01/83/85/1067018385.db2.gz GNOIRNHDHNWFNM-QGZVFWFLSA-N 0 0 458.352 4.511 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4c(F)cc(F)cc4C3)ccc2C)cc1 ZINC001546015774 1067018445 /nfs/dbraw/zinc/01/84/45/1067018445.db2.gz LEGHVWSKNQKUJT-UHFFFAOYSA-N 0 0 456.514 4.581 20 0 JJADRN CC(C)Cc1ncnc(N[C@H](C)Cc2nc3ccccc3s2)c1I ZINC001458273510 1067018434 /nfs/dbraw/zinc/01/84/34/1067018434.db2.gz ARIOUDONWFCMBD-GFCCVEGCSA-N 0 0 452.365 4.933 20 0 JJADRN Cc1cc(C(=O)O[C@H](C)c2nc3ccccc3o2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001458273350 1067018448 /nfs/dbraw/zinc/01/84/48/1067018448.db2.gz BXRORXLTJQSFEF-GOSISDBHSA-N 0 0 456.564 4.783 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1sc(C)nc1C)c1ccccc1 ZINC001545748831 1067018583 /nfs/dbraw/zinc/01/85/83/1067018583.db2.gz GHBNYHDEKDIGFZ-VXKWHMMOSA-N 0 0 469.655 4.573 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H]2CSC)n1CC1(S(C)(=O)=O)CCCC1)c1ccccc1 ZINC001545748817 1067018637 /nfs/dbraw/zinc/01/86/37/1067018637.db2.gz GFJJVHLSQNXLCK-LEWJYISDSA-N 0 0 476.712 4.509 20 0 JJADRN Cc1cc(C(=O)O[C@@H](C)c2nc3ccccc3o2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001458273352 1067018530 /nfs/dbraw/zinc/01/85/30/1067018530.db2.gz BXRORXLTJQSFEF-SFHVURJKSA-N 0 0 456.564 4.783 20 0 JJADRN CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001545748915 1067019003 /nfs/dbraw/zinc/01/90/03/1067019003.db2.gz HCLGCPKBOAIWAR-PKTZIBPZSA-N 0 0 469.674 4.766 20 0 JJADRN O=C(NC[C@H]1CCCC[C@H]1c1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001449652449 1067019320 /nfs/dbraw/zinc/01/93/20/1067019320.db2.gz ONPSNTMKSDKTRM-QUCCMNQESA-N 0 0 455.555 4.658 20 0 JJADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1)C2=O ZINC001449653485 1067019383 /nfs/dbraw/zinc/01/93/83/1067019383.db2.gz PMUPAJPCBVLULJ-JQNDTVEOSA-N 0 0 453.627 4.604 20 0 JJADRN CCCN1C(=O)CCc2cc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)ccc21 ZINC001458279936 1067019818 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/nfs/dbraw/zinc/02/07/59/1067020759.db2.gz IESVFNFDDYDQMN-FKBYEOEOSA-N 0 0 459.631 4.566 20 0 JJADRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001458285424 1067021306 /nfs/dbraw/zinc/02/13/06/1067021306.db2.gz RYYLCYAIHJRDLH-AWEZNQCLSA-N 0 0 453.391 4.537 20 0 JJADRN C[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC001449695279 1067021171 /nfs/dbraw/zinc/02/11/71/1067021171.db2.gz JGOYEADURYQTKJ-CJNGLKHVSA-N 0 0 450.448 4.960 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCC(C)(C)O)c1ccccc1 ZINC001545749795 1067021205 /nfs/dbraw/zinc/02/12/05/1067021205.db2.gz TYCGCYLHRXUUPX-LEWJYISDSA-N 0 0 467.589 4.563 20 0 JJADRN CC[C@@H](c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCC1(O)CCC1)c1ccccc1 ZINC001545749999 1067021397 /nfs/dbraw/zinc/02/13/97/1067021397.db2.gz WTRPWUSBESRJFB-VQTJNVASSA-N 0 0 466.548 4.673 20 0 JJADRN COc1ccc2cccc(CC(=O)N3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)c2c1 ZINC001449702168 1067021697 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1067031745 /nfs/dbraw/zinc/03/17/45/1067031745.db2.gz OFARAROCJARXMZ-UHFFFAOYSA-N 0 0 453.368 4.589 20 0 JJADRN Cc1nc2scc(CC(C)C)c2c(N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC001458328785 1067032072 /nfs/dbraw/zinc/03/20/72/1067032072.db2.gz FMYXRFMDTIKQHY-INIZCTEOSA-N 0 0 458.653 4.936 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(NCCc3c[nH]c4cc(C)ccc34)c2c1C ZINC001458329541 1067032131 /nfs/dbraw/zinc/03/21/31/1067032131.db2.gz VGKSSYJOSAFRNU-UHFFFAOYSA-N 0 0 451.596 4.682 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@]1(C)CCCO1)c1ccccc1 ZINC001545754872 1067032003 /nfs/dbraw/zinc/03/20/03/1067032003.db2.gz XPVRPADHKGIUJU-DVBNTOJCSA-N 0 0 483.657 4.835 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545754997 1067032064 /nfs/dbraw/zinc/03/20/64/1067032064.db2.gz ZYIWIMPZXWWGJC-JOCHJYFZSA-N 0 0 492.668 4.849 20 0 JJADRN Cc1cnc(C2CCN(c3nc(C(F)(F)F)ccc3I)CC2)s1 ZINC001458329761 1067032478 /nfs/dbraw/zinc/03/24/78/1067032478.db2.gz WEEJHPUMSKWTIQ-UHFFFAOYSA-N 0 0 453.271 4.854 20 0 JJADRN CC(C)(C)OC(=O)CSc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001458330653 1067032493 /nfs/dbraw/zinc/03/24/93/1067032493.db2.gz YVCNIOOLDUZODD-UHFFFAOYSA-N 0 0 457.621 4.624 20 0 JJADRN CC[C@@H](c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC(C)(C)OC)c1ccccc1 ZINC001545756078 1067032446 /nfs/dbraw/zinc/03/24/46/1067032446.db2.gz AKBCCHKPIUSOLG-TZIWHRDSSA-N 0 0 468.671 4.585 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC(C)(F)F)c1ccccc1 ZINC001545756058 1067032495 /nfs/dbraw/zinc/03/24/95/1067032495.db2.gz AGDBMNQCIXMORM-HXUWFJFHSA-N 0 0 463.573 4.780 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1cc(C(C)(C)C)no1)c1ccccc1 ZINC001545754998 1067032614 /nfs/dbraw/zinc/03/26/14/1067032614.db2.gz ZYIWIMPZXWWGJC-QFIPXVFZSA-N 0 0 492.668 4.849 20 0 JJADRN CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@H](C)Oc2cccc3ccccc32)CC1 ZINC001449856248 1067032736 /nfs/dbraw/zinc/03/27/36/1067032736.db2.gz UCMDRRFRBSOGOQ-FQEVSTJZSA-N 0 0 459.542 4.662 20 0 JJADRN CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc(OCC)c1OCC ZINC001458332861 1067032756 /nfs/dbraw/zinc/03/27/56/1067032756.db2.gz HESJHOQYJUGKKO-INIZCTEOSA-N 0 0 450.938 4.684 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CC(F)(F)F)c1ccccc1 ZINC001545756120 1067032869 /nfs/dbraw/zinc/03/28/69/1067032869.db2.gz AZYQENAOMSUFLM-HXUWFJFHSA-N 0 0 487.574 4.931 20 0 JJADRN CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1nc(C(C)(C)C)cs1)c1ccccc1 ZINC001545756117 1067032943 /nfs/dbraw/zinc/03/29/43/1067032943.db2.gz AYTLJXVDMZRLFH-RXVVDRJESA-N 0 0 480.682 4.679 20 0 JJADRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1Nc1c(F)cccc1F)C2=O ZINC001458332834 1067032974 /nfs/dbraw/zinc/03/29/74/1067032974.db2.gz GOGGSYOQVSYUFL-XMMPIXPASA-N 0 0 456.493 4.538 20 0 JJADRN CC[C@H](Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001546017650 1067032899 /nfs/dbraw/zinc/03/28/99/1067032899.db2.gz YVRZPXIDHOCAJO-RBUKOAKNSA-N 0 0 488.652 4.733 20 0 JJADRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458335752 1067033190 /nfs/dbraw/zinc/03/31/90/1067033190.db2.gz SUSBKJUILIBVIA-UHFFFAOYSA-N 0 0 458.402 4.634 20 0 JJADRN CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3cccs3)ns2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001458334162 1067033481 /nfs/dbraw/zinc/03/34/81/1067033481.db2.gz KDHFKQFGXZIYJW-MEBBXXQBSA-N 0 0 453.376 4.732 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC001449883192 1067033640 /nfs/dbraw/zinc/03/36/40/1067033640.db2.gz ZMPWTXWORNPMNU-VDZJLULYSA-N 0 0 451.405 4.849 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)CCC(=O)N2C)cc1 ZINC001458335647 1067033627 /nfs/dbraw/zinc/03/36/27/1067033627.db2.gz RATAPDYOZBMRSY-CVDCTZTESA-N 0 0 457.521 4.512 20 0 JJADRN CC(=O)N[C@H](CC(=O)N(CCC(C)C)c1nnc(C)c2ccccc21)c1ccc(F)cc1F ZINC001458336266 1067033760 /nfs/dbraw/zinc/03/37/60/1067033760.db2.gz TZDADQMGJWTBBE-HSZRJFAPSA-N 0 0 454.521 4.863 20 0 JJADRN CC[C@@H](C)[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001545756610 1067034019 /nfs/dbraw/zinc/03/40/19/1067034019.db2.gz KUSIWMHAQOPRAH-ISQLDUATSA-N 0 0 481.607 4.690 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCC[C@H]2C)CCO1 ZINC001546099543 1067034089 /nfs/dbraw/zinc/03/40/89/1067034089.db2.gz HGEFBOQGAZEKRX-VANUSSGQSA-N 0 0 491.076 4.808 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC001545756821 1067034567 /nfs/dbraw/zinc/03/45/67/1067034567.db2.gz OSIBQCOIVXPVPV-BDTNDASRSA-N 0 0 477.575 4.857 20 0 JJADRN CC[C@@H](C)[C@@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001545756612 1067034612 /nfs/dbraw/zinc/03/46/12/1067034612.db2.gz KUSIWMHAQOPRAH-ZRXZBVFWSA-N 0 0 481.607 4.690 20 0 JJADRN CCC1(NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)CCCCC1 ZINC001449893148 1067034909 /nfs/dbraw/zinc/03/49/09/1067034909.db2.gz DQPOOXPMQZTBMW-UHFFFAOYSA-N 0 0 455.550 4.630 20 0 JJADRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC001449891472 1067034999 /nfs/dbraw/zinc/03/49/99/1067034999.db2.gz CCOBEZWAPMRRMO-DEOSSOPVSA-N 0 0 457.014 4.878 20 0 JJADRN Cc1cc(NC(=O)c2ccc(I)c(Cl)c2)nn1-c1cccc(F)c1 ZINC001458339556 1067035184 /nfs/dbraw/zinc/03/51/84/1067035184.db2.gz HLFDTVXCECUZCB-UHFFFAOYSA-N 0 0 455.658 4.830 20 0 JJADRN CC(C)(C)c1ccc(C2CCN(C(=O)CCNS(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC001449900530 1067035338 /nfs/dbraw/zinc/03/53/38/1067035338.db2.gz NXRNJQKJOVLWAK-SILNSSARSA-N 0 0 454.636 4.671 20 0 JJADRN Cc1ccc2nc(CSCC(=O)Nc3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2c1 ZINC001449900396 1067035407 /nfs/dbraw/zinc/03/54/07/1067035407.db2.gz MUGYQOZJMJPNNC-UHFFFAOYSA-N 0 0 454.596 4.882 20 0 JJADRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)nn1-c1ccc(Cl)cc1Cl ZINC001458340686 1067035302 /nfs/dbraw/zinc/03/53/02/1067035302.db2.gz MQZZAPYYRYGBFS-UHFFFAOYSA-N 0 0 450.347 4.676 20 0 JJADRN Cc1cc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)nn1-c1cccc(F)c1 ZINC001458340540 1067035566 /nfs/dbraw/zinc/03/55/66/1067035566.db2.gz MPWYKUPPMZWICG-OAQYLSRUSA-N 0 0 457.347 4.858 20 0 JJADRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001546018081 1067035783 /nfs/dbraw/zinc/03/57/83/1067035783.db2.gz PERUNKQZCPLIJC-UHFFFAOYSA-N 0 0 456.612 4.510 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCSC)c1ccccc1 ZINC001545757336 1067035911 /nfs/dbraw/zinc/03/59/11/1067035911.db2.gz XNIBPJPRAFUCMW-HXUWFJFHSA-N 0 0 472.728 4.577 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3NC3CC3)CC2)cc1 ZINC001545757725 1067036191 /nfs/dbraw/zinc/03/61/91/1067036191.db2.gz JGHMNGAVEMSOKK-UHFFFAOYSA-N 0 0 459.587 4.563 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC001545758146 1067036206 /nfs/dbraw/zinc/03/62/06/1067036206.db2.gz ARSOOSCENLEIMX-DFQSSKMNSA-N 0 0 453.528 4.643 20 0 JJADRN O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458343733 1067036686 /nfs/dbraw/zinc/03/66/86/1067036686.db2.gz GKIBIDLDRFCEBY-HNNXBMFYSA-N 0 0 452.388 4.643 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2ccc(-c3ccccc3)nc2C)c1 ZINC001449909405 1067036646 /nfs/dbraw/zinc/03/66/46/1067036646.db2.gz CSFLIXCIUBQFCR-QFIPXVFZSA-N 0 0 455.352 4.634 20 0 JJADRN CC[C@H](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908073 1067036771 /nfs/dbraw/zinc/03/67/71/1067036771.db2.gz AYIRHNSGSSSJEU-ORAYPTAESA-N 0 0 459.395 4.585 20 0 JJADRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001458345754 1067036855 /nfs/dbraw/zinc/03/68/55/1067036855.db2.gz KZYGCPXNQKLZNB-TZMCWYRMSA-N 0 0 458.183 4.918 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC001458345751 1067037069 /nfs/dbraw/zinc/03/70/69/1067037069.db2.gz KZYGCPXNQKLZNB-GXTWGEPZSA-N 0 0 458.183 4.918 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)c2)cc1F ZINC001449912562 1067037241 /nfs/dbraw/zinc/03/72/41/1067037241.db2.gz MYKFATVAFSHDEP-OPAMFIHVSA-N 0 0 454.523 4.577 20 0 JJADRN Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc(O)c3Br)nc12 ZINC001449934194 1067037707 /nfs/dbraw/zinc/03/77/07/1067037707.db2.gz HYPWEZBKVACKPY-UHFFFAOYSA-N 0 0 452.308 4.942 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458347270 1067037745 /nfs/dbraw/zinc/03/77/45/1067037745.db2.gz OOSMOFUCBLTEGZ-UWJYYQICSA-N 0 0 459.608 4.637 20 0 JJADRN COc1ccc(CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458347269 1067037820 /nfs/dbraw/zinc/03/78/20/1067037820.db2.gz OOSMOFUCBLTEGZ-UTKZUKDTSA-N 0 0 459.608 4.637 20 0 JJADRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC001449922679 1067037943 /nfs/dbraw/zinc/03/79/43/1067037943.db2.gz YHWMZPAHVVCVQM-OYHNWAKOSA-N 0 0 458.352 4.570 20 0 JJADRN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1)OC ZINC001546018423 1067038408 /nfs/dbraw/zinc/03/84/08/1067038408.db2.gz BOCYDOVCORFXCN-GMKZXUHWSA-N 0 0 470.658 4.807 20 0 JJADRN CCOc1nc2cc(NC(=O)c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)no3)ccc2o1 ZINC001449953049 1067038749 /nfs/dbraw/zinc/03/87/49/1067038749.db2.gz LGYKRDPCQPDRBT-UHFFFAOYSA-N 0 0 456.499 4.581 20 0 JJADRN CCOc1nc2cc(NC(=O)c3cc(Br)cc(Br)c3N)ccc2o1 ZINC001449955056 1067039254 /nfs/dbraw/zinc/03/92/54/1067039254.db2.gz YZSSAFWDXVYCRW-UHFFFAOYSA-N 0 0 455.106 4.586 20 0 JJADRN CCOC(=O)c1sc2nc(CN(C)C)nc(N3C[C@H](c4ccc(C)cc4)C[C@H]3C)c2c1C ZINC001458349759 1067039319 /nfs/dbraw/zinc/03/93/19/1067039319.db2.gz UAQWYMSIHONWLA-VQIMIIECSA-N 0 0 452.624 4.929 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758773 1067039507 /nfs/dbraw/zinc/03/95/07/1067039507.db2.gz MNWZRFAUIQTBFI-OAQYLSRUSA-N 0 0 476.547 4.781 20 0 JJADRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979890 1067039783 /nfs/dbraw/zinc/03/97/83/1067039783.db2.gz NXWYUIANJRUMQL-NXUSMQHESA-N 0 0 459.937 4.602 20 0 JJADRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC001458351288 1067039959 /nfs/dbraw/zinc/03/99/59/1067039959.db2.gz ULAOYSPCLGJOFA-YJYMSZOUSA-N 0 0 451.420 4.545 20 0 JJADRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(Br)cc2Br)cc1 ZINC001458352840 1067040446 /nfs/dbraw/zinc/04/04/46/1067040446.db2.gz YSNQQWOAJKKVBT-GTNSWQLSSA-N 0 0 457.162 4.726 20 0 JJADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 ZINC001458353571 1067040520 /nfs/dbraw/zinc/04/05/20/1067040520.db2.gz ZVTDDPXAKMTUOT-WTOJCKNJSA-N 0 0 456.764 4.771 20 0 JJADRN C[C@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC001458352635 1067040553 /nfs/dbraw/zinc/04/05/53/1067040553.db2.gz XOXMIEWBXDLTMN-XIKOKIGWSA-N 0 0 457.290 4.647 20 0 JJADRN COc1ccc2cc(C(=O)Nc3cnc4c(c3)C[C@@H](NC(=O)OC(C)(C)C)CC4)sc2c1 ZINC001458354614 1067040897 /nfs/dbraw/zinc/04/08/97/1067040897.db2.gz KXLKLVGBPIRZJN-INIZCTEOSA-N 0 0 453.564 4.939 20 0 JJADRN CC[C@@H](c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001545758935 1067041044 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CTRXIKYXLMEXRQ-QFIPXVFZSA-N 0 0 456.464 4.592 20 0 JJADRN COc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc(NC(C)=O)c1OC ZINC001458361551 1067042112 /nfs/dbraw/zinc/04/21/12/1067042112.db2.gz ULXKSAKHEYMMLD-UHFFFAOYSA-N 0 0 457.379 4.632 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001458360369 1067042222 /nfs/dbraw/zinc/04/22/22/1067042222.db2.gz UEFHNXMXRYTJNX-SFHVURJKSA-N 0 0 459.434 4.997 20 0 JJADRN O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001458364187 1067042434 /nfs/dbraw/zinc/04/24/34/1067042434.db2.gz IEYGMOYVLUIASM-INIZCTEOSA-N 0 0 455.700 4.996 20 0 JJADRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O ZINC001545759836 1067043096 /nfs/dbraw/zinc/04/30/96/1067043096.db2.gz IUPOMKKEWSCVAX-UHFFFAOYSA-N 0 0 459.472 4.552 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001450027888 1067043228 /nfs/dbraw/zinc/04/32/28/1067043228.db2.gz LLYVJNAMIDHNNY-MRXNPFEDSA-N 0 0 450.682 4.904 20 0 JJADRN O=C(Oc1cc(Cl)cnc1Br)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001458369321 1067043631 /nfs/dbraw/zinc/04/36/31/1067043631.db2.gz KRZFWZHSRHGZBF-LLVKDONJSA-N 0 0 452.761 4.929 20 0 JJADRN Cc1ccc2nc(CSCC(=O)Nc3ccc(C)c(S(=O)(=O)C4CCCC4)c3)cn2c1 ZINC001450045793 1067043866 /nfs/dbraw/zinc/04/38/66/1067043866.db2.gz FNZBIHMQEAWUEI-UHFFFAOYSA-N 0 0 457.621 4.539 20 0 JJADRN CCCNC(=O)Nc1ccc(CC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC001450045329 1067043962 /nfs/dbraw/zinc/04/39/62/1067043962.db2.gz CBBIKYJGDPAGLC-LJQANCHMSA-N 0 0 458.400 4.614 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCNC(=O)c1occc1C)c1ccccc1 ZINC001545761411 1067044708 /nfs/dbraw/zinc/04/47/08/1067044708.db2.gz QZRZFKVJGCAMCA-DHIUTWEWSA-N 0 0 493.652 4.793 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC(C)(C)c1ccccn1)c1ccccc1 ZINC001545761394 1067044803 /nfs/dbraw/zinc/04/48/03/1067044803.db2.gz QUYUQFRKHAPBRO-TZIWHRDSSA-N 0 0 473.543 4.960 20 0 JJADRN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)F)NC(=O)OC(C)(C)C ZINC001546019154 1067044892 /nfs/dbraw/zinc/04/48/92/1067044892.db2.gz PCLYMWMMXCINGW-LZLYRXPVSA-N 0 0 473.609 4.591 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[C@](C)(CC)O1)c1ccccc1 ZINC001545761497 1067045023 /nfs/dbraw/zinc/04/50/23/1067045023.db2.gz SEWLZZMRCSKHEU-SRYPRDQNSA-N 0 0 466.548 4.935 20 0 JJADRN CC[C@H](C)n1c(SCC(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC001450052761 1067045166 /nfs/dbraw/zinc/04/51/66/1067045166.db2.gz DPZAWHBFJFMIPQ-JXFKEZNVSA-N 0 0 459.015 4.854 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC001458375175 1067045547 /nfs/dbraw/zinc/04/55/47/1067045547.db2.gz AIDHHNLCXJNTTR-SFHVURJKSA-N 0 0 458.571 4.545 20 0 JJADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCC[C@@H]1CCC1CCCCC1)CC2 ZINC001545762319 1067046410 /nfs/dbraw/zinc/04/64/10/1067046410.db2.gz JKJAOVXBSWIHDK-HSZRJFAPSA-N 0 0 456.627 4.720 20 0 JJADRN CC[C@H](c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC(F)(F)C1(OC)CCOCC1)c1ccccc1 ZINC001545763030 1067046538 /nfs/dbraw/zinc/04/65/38/1067046538.db2.gz BIRYQWOCVITYAQ-FPOVZHCZSA-N 0 0 492.611 4.655 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccsc1Br)c1ccccc1 ZINC001545763168 1067046690 /nfs/dbraw/zinc/04/66/90/1067046690.db2.gz DHUHLCVJBSGROU-RTBURBONSA-N 0 0 491.455 4.544 20 0 JJADRN CC(C)C[C@@H](CC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1)NC(=O)OC(C)(C)C ZINC001450069247 1067046732 /nfs/dbraw/zinc/04/67/32/1067046732.db2.gz ADARAXTZAVMGIJ-QFIPXVFZSA-N 0 0 452.599 4.912 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 ZINC001458382215 1067047117 /nfs/dbraw/zinc/04/71/17/1067047117.db2.gz AMLKPRFCOSMMGR-CQSZACIVSA-N 0 0 459.419 4.614 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 ZINC001450076016 1067047320 /nfs/dbraw/zinc/04/73/20/1067047320.db2.gz QJQXTRCJMADTRW-DEOSSOPVSA-N 0 0 455.942 4.982 20 0 JJADRN CC[C@H](c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCCSC)c1ccccc1 ZINC001545763565 1067047331 /nfs/dbraw/zinc/04/73/31/1067047331.db2.gz KGBBPCMJRWQSQE-PMACEKPBSA-N 0 0 470.643 4.657 20 0 JJADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC001458384447 1067047407 /nfs/dbraw/zinc/04/74/07/1067047407.db2.gz HMOXPGZMTWHRHE-UHFFFAOYSA-N 0 0 457.502 4.809 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545763392 1067047495 /nfs/dbraw/zinc/04/74/95/1067047495.db2.gz HZYOXIKQYBQHIJ-AQNXPRMDSA-N 0 0 452.521 4.547 20 0 JJADRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)c1 ZINC001450075086 1067047406 /nfs/dbraw/zinc/04/74/06/1067047406.db2.gz FTSJFJOSJDHATF-UHFFFAOYSA-N 0 0 455.776 4.745 20 0 JJADRN O=C1CN(c2nc(-c3ccccc3C(F)(F)F)nc3ccccc32)CN1CCC(F)(F)F ZINC001458384923 1067047609 /nfs/dbraw/zinc/04/76/09/1067047609.db2.gz QSZOMCABWQNCIS-UHFFFAOYSA-N 0 0 454.374 4.874 20 0 JJADRN CC[C@H](c1nnc(N2CCOCC3(CCC3)C2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545763911 1067048154 /nfs/dbraw/zinc/04/81/54/1067048154.db2.gz OLMLUZRGFQHBSZ-PMACEKPBSA-N 0 0 466.548 4.794 20 0 JJADRN CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(Cc1ccco1)Cc1ccco1)NC(=O)OC(C)(C)C ZINC001546019306 1067048398 /nfs/dbraw/zinc/04/83/98/1067048398.db2.gz RKOLUSPYNFPBBY-WIYYLYMNSA-N 0 0 485.585 4.826 20 0 JJADRN CC(=O)N(c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1)[C@@H]1C[C@@H]1C ZINC001450081604 1067048430 /nfs/dbraw/zinc/04/84/30/1067048430.db2.gz UFJBLPRAKRDNKJ-PDIWNELESA-N 0 0 451.567 4.522 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC(C)(C)C(F)(F)F)c1ccccc1 ZINC001545764141 1067048475 /nfs/dbraw/zinc/04/84/75/1067048475.db2.gz QZBYHAFIUNQSSH-VQTJNVASSA-N 0 0 476.547 4.510 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C[C@H]1c1ccc(O)cc1 ZINC001450093951 1067048803 /nfs/dbraw/zinc/04/88/03/1067048803.db2.gz AIMIPTYDBJITCA-LEWJYISDSA-N 0 0 450.560 4.668 20 0 JJADRN CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H](C)c1c(C)noc1C)c1ccccc1 ZINC001545764338 1067049077 /nfs/dbraw/zinc/04/90/77/1067049077.db2.gz UHJORUMQXNYFNT-VEXUSMLFSA-N 0 0 481.641 4.859 20 0 JJADRN C[C@H](Sc1ncccc1C(=O)NCC1(Cc2ccccc2)CCCC1)C(=O)N1CCCC1 ZINC001458392950 1067049497 /nfs/dbraw/zinc/04/94/97/1067049497.db2.gz DDBZNURAYSMFFP-FQEVSTJZSA-N 0 0 451.636 4.718 20 0 JJADRN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C)c1c(F)cccc1F ZINC001458393022 1067049555 /nfs/dbraw/zinc/04/95/55/1067049555.db2.gz NMIIFXKOCIWCRB-FCHUYYIVSA-N 0 0 458.549 4.907 20 0 JJADRN Cc1cc(NC(=O)/C=C\c2ccc(I)o2)nn1-c1cccc(Cl)c1 ZINC001458393057 1067049814 /nfs/dbraw/zinc/04/98/14/1067049814.db2.gz NXHBBIGNDQAQHZ-VURMDHGXSA-N 0 0 453.667 4.684 20 0 JJADRN COCC1(CCNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC001450116590 1067050289 /nfs/dbraw/zinc/05/02/89/1067050289.db2.gz XFQVBRNWCLMIGW-UHFFFAOYSA-N 0 0 450.579 4.627 20 0 JJADRN CC[C@@H](c1nnc(N2CCSC[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545765645 1067050269 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/nfs/dbraw/zinc/05/20/56/1067052056.db2.gz PGOIZGFQOPKYOP-QGZVFWFLSA-N 0 0 450.608 4.901 20 0 JJADRN CC[C@H](c1nnc(N2CCS[C@@H](C(C)C)C2)n1CCCN1CCCCC1=O)c1ccccc1 ZINC001545766404 1067052182 /nfs/dbraw/zinc/05/21/82/1067052182.db2.gz ROVYLFZIHRKOMX-XZOQPEGZSA-N 0 0 469.699 4.800 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC001458399645 1067052219 /nfs/dbraw/zinc/05/22/19/1067052219.db2.gz MXCYPVSMVDCAHK-MRXNPFEDSA-N 0 0 450.530 4.966 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545767550 1067052803 /nfs/dbraw/zinc/05/28/03/1067052803.db2.gz AEAHWKTVGNXKAV-HLAWJBBLSA-N 0 0 477.575 4.857 20 0 JJADRN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC(=O)N1CCCCC1)c1ccccc1 ZINC001545767551 1067052930 /nfs/dbraw/zinc/05/29/30/1067052930.db2.gz AEAHWKTVGNXKAV-HMXCVIKNSA-N 0 0 477.575 4.857 20 0 JJADRN CC[C@H](c1nnc(Nc2cnn(C)c2)n1CCCCn1cc(Br)cn1)c1ccccc1 ZINC001545767638 1067053312 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/nfs/dbraw/zinc/05/39/22/1067053922.db2.gz RXSYKRAXJUWGGY-MRXNPFEDSA-N 0 0 451.413 4.504 20 0 JJADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3CCCOc4c(F)cccc43)cc2)cc1 ZINC001458406772 1067054193 /nfs/dbraw/zinc/05/41/93/1067054193.db2.gz DGVIGEBBGOSAMK-HSZRJFAPSA-N 0 0 453.535 4.752 20 0 JJADRN CC[C@@H](c1nnc(Nc2cnn(C)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545768329 1067054185 /nfs/dbraw/zinc/05/41/85/1067054185.db2.gz SPMFLWRCXPDRRC-WIYYLYMNSA-N 0 0 467.618 4.943 20 0 JJADRN CC[C@H](c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC001545768437 1067054210 /nfs/dbraw/zinc/05/42/10/1067054210.db2.gz WFYQEQOQGMSZLX-NJAFHUGGSA-N 0 0 477.510 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001450153542 1067054411 /nfs/dbraw/zinc/05/44/11/1067054411.db2.gz HEHFZEVQYSVEIS-AEFFLSMTSA-N 0 0 457.061 4.776 20 0 JJADRN COc1ccccc1-n1ncc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1C ZINC001458408908 1067054403 /nfs/dbraw/zinc/05/44/03/1067054403.db2.gz XJQPACRWFKVPDF-GOSISDBHSA-N 0 0 455.383 4.824 20 0 JJADRN CCn1c(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)nc2ccc(Br)cc21 ZINC001458408446 1067054496 /nfs/dbraw/zinc/05/44/96/1067054496.db2.gz VDWBHFHHZAXIJD-UHFFFAOYSA-N 0 0 458.385 4.864 20 0 JJADRN CCc1csc(-n2cc(C(=O)N3C[C@@H](C)O[C@H](c4cccc(C(F)(F)F)c4)C3)cn2)n1 ZINC001450151337 1067054457 /nfs/dbraw/zinc/05/44/57/1067054457.db2.gz QZOGGPPXSHTDGJ-ACJLOTCBSA-N 0 0 450.486 4.512 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3C[C@H](c4cccc(C(F)(F)F)c4)OC[C@@H]3C)c2N1 ZINC001450155496 1067054850 /nfs/dbraw/zinc/05/48/50/1067054850.db2.gz VFHUQZDCXHCLJJ-CZAMWMTLSA-N 0 0 476.421 4.812 20 0 JJADRN C[C@H]1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450154446 1067054971 /nfs/dbraw/zinc/05/49/71/1067054971.db2.gz UOGGRXOZTXNZAX-WQANXHIZSA-N 0 0 456.505 4.687 20 0 JJADRN C[C@@H]1CN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450154165 1067055033 /nfs/dbraw/zinc/05/50/33/1067055033.db2.gz UDTGCDFVCQBKCY-BEFAXECRSA-N 0 0 456.505 4.783 20 0 JJADRN CCOC(=O)CCc1cc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc(C)n1 ZINC001458409744 1067055023 /nfs/dbraw/zinc/05/50/23/1067055023.db2.gz RGGQZZXMPCVAKD-IBGZPJMESA-N 0 0 451.489 4.656 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545769583 1067055302 /nfs/dbraw/zinc/05/53/02/1067055302.db2.gz FEEOYVMTECTEKC-IBGZPJMESA-N 0 0 463.667 4.616 20 0 JJADRN CCC1(CC)[C@H](NC(=O)c2c(F)ccc(I)c2Cl)[C@@H](C)[C@@H]1OC ZINC001458410921 1067055519 /nfs/dbraw/zinc/05/55/19/1067055519.db2.gz QLRHVULOVWDEAD-ZWZTZDBGSA-N 0 0 453.723 4.653 20 0 JJADRN CCC(CC)(Cn1c(C(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545769584 1067055528 /nfs/dbraw/zinc/05/55/28/1067055528.db2.gz FEEOYVMTECTEKC-LJQANCHMSA-N 0 0 463.667 4.616 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(F)cc3-n3cccc3)CC2=O)ccc1Br ZINC001458414182 1067055796 /nfs/dbraw/zinc/05/57/96/1067055796.db2.gz LABFCSMHUSCKPW-HNNXBMFYSA-N 0 0 456.315 4.679 20 0 JJADRN COc1ccc([C@H](C)Nc2ncnc(CC(C)C)c2I)c(C)c1OC ZINC001458413645 1067055898 /nfs/dbraw/zinc/05/58/98/1067055898.db2.gz HERIFDLMQRNBCV-ZDUSSCGKSA-N 0 0 455.340 4.778 20 0 JJADRN CC(=O)c1cccc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 ZINC001450159498 1067056007 /nfs/dbraw/zinc/05/60/07/1067056007.db2.gz SYOBUWIPPFVKHH-UHFFFAOYSA-N 0 0 451.320 4.834 20 0 JJADRN CC[C@]1(C)CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CCO1 ZINC001546100440 1067056156 /nfs/dbraw/zinc/05/61/56/1067056156.db2.gz ZGAYRFGMDCIZMX-BBVWWWHTSA-N 0 0 456.631 4.540 20 0 JJADRN C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1noc(-c2ccccc2)n1 ZINC001545770459 1067056298 /nfs/dbraw/zinc/05/62/98/1067056298.db2.gz IYPNYQOPMGANET-GCJKJVERSA-N 0 0 456.502 4.582 20 0 JJADRN C[C@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001450160001 1067056460 /nfs/dbraw/zinc/05/64/60/1067056460.db2.gz YOOWDLJVQFNNJB-HNAYVOBHSA-N 0 0 454.489 4.561 20 0 JJADRN COC(=O)CCSc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC001458419338 1067056661 /nfs/dbraw/zinc/05/66/61/1067056661.db2.gz BTOCFKAWLTXJSE-INIZCTEOSA-N 0 0 455.605 4.807 20 0 JJADRN O=C(Oc1cc(Br)ccc1F)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001458418691 1067056807 /nfs/dbraw/zinc/05/68/07/1067056807.db2.gz UIOXGZKZCWAEJD-HXUWFJFHSA-N 0 0 454.295 4.761 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC[C@H]1C)OC ZINC001545770947 1067056833 /nfs/dbraw/zinc/05/68/33/1067056833.db2.gz AITNMYIVNFLGRU-JKSUJKDBSA-N 0 0 452.441 4.876 20 0 JJADRN COC(=O)[C@@H](NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(OC)cc1 ZINC001450168973 1067057106 /nfs/dbraw/zinc/05/71/06/1067057106.db2.gz DBIUAFFIGGPSSM-QHCPKHFHSA-N 0 0 455.595 4.959 20 0 JJADRN Cc1ccc(-n2ccnc2SCC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1C ZINC001450170248 1067057239 /nfs/dbraw/zinc/05/72/39/1067057239.db2.gz HIEOJIOIGRMSEG-UHFFFAOYSA-N 0 0 453.583 4.628 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCC[C@H](Oc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001545771028 1067057290 /nfs/dbraw/zinc/05/72/90/1067057290.db2.gz CYGHHBXOWATJFU-NRFANRHFSA-N 0 0 457.619 4.718 20 0 JJADRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001546100518 1067058075 /nfs/dbraw/zinc/05/80/75/1067058075.db2.gz BDQIWHDCSXGBIR-UHFFFAOYSA-N 0 0 455.483 4.761 20 0 JJADRN CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCOCc2ccc(Cl)cc2Cl)cc1 ZINC001458425398 1067058100 /nfs/dbraw/zinc/05/81/00/1067058100.db2.gz ZJRCUKWHSCMKEU-UHFFFAOYSA-N 0 0 451.394 4.744 20 0 JJADRN CCCc1c(C(=O)N2CCC([C@H](O)c3ccc(OC)cc3)CC2)cnn1-c1cccc(F)c1 ZINC001450192087 1067058301 /nfs/dbraw/zinc/05/83/01/1067058301.db2.gz GBMMKSMOVYTVBF-RUZDIDTESA-N 0 0 451.542 4.558 20 0 JJADRN Cc1cc2c(cc1Br)N(C(=O)c1cc3c(cc1Br)OCO3)CCC2 ZINC001458429888 1067058286 /nfs/dbraw/zinc/05/82/86/1067058286.db2.gz LNDPGDDPQRTMTQ-UHFFFAOYSA-N 0 0 453.130 4.842 20 0 JJADRN Brc1cccc(CCNc2ncnc3ccc(I)cc32)c1 ZINC001458428360 1067058339 /nfs/dbraw/zinc/05/83/39/1067058339.db2.gz JLCHXALOBRXFKE-UHFFFAOYSA-N 0 0 454.109 4.652 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C)OC ZINC001545771335 1067058385 /nfs/dbraw/zinc/05/83/85/1067058385.db2.gz MOWNEWCENBLFMG-INIZCTEOSA-N 0 0 465.436 4.917 20 0 JJADRN O=C(Nc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1)OCC(F)(F)F ZINC001458430932 1067058703 /nfs/dbraw/zinc/05/87/03/1067058703.db2.gz NQNDYVLLKMDYRQ-AWEZNQCLSA-N 0 0 459.827 4.599 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@H](c2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001545771460 1067058770 /nfs/dbraw/zinc/05/87/70/1067058770.db2.gz PZQAHKIEMHYOQW-FQEVSTJZSA-N 0 0 478.037 4.901 20 0 JJADRN COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(F)cc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001450193337 1067058895 /nfs/dbraw/zinc/05/88/95/1067058895.db2.gz HXDFFWQSNVWRJH-JOCHJYFZSA-N 0 0 458.530 4.767 20 0 JJADRN CCC(CC)(Cn1c(C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)NC(=O)OC(C)(C)C ZINC001545771461 1067058983 /nfs/dbraw/zinc/05/89/83/1067058983.db2.gz PZQAHKIEMHYOQW-HXUWFJFHSA-N 0 0 478.037 4.901 20 0 JJADRN COc1ccc([C@H](O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)cc1 ZINC001450198250 1067059283 /nfs/dbraw/zinc/05/92/83/1067059283.db2.gz OJEVAMMYQXSNCE-QFIPXVFZSA-N 0 0 458.396 4.852 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OC)CC1)SC ZINC001545771588 1067059294 /nfs/dbraw/zinc/05/92/94/1067059294.db2.gz UAJCGJRTBIZEHA-UHFFFAOYSA-N 0 0 496.475 4.518 20 0 JJADRN CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)SC ZINC001545771662 1067059504 /nfs/dbraw/zinc/05/95/04/1067059504.db2.gz WOGFJNOXBPSZDH-ICSRJNTNSA-N 0 0 489.661 4.680 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1CSC)OC ZINC001545771719 1067059860 /nfs/dbraw/zinc/05/98/60/1067059860.db2.gz XXNSYBIFWHYDBS-MRXNPFEDSA-N 0 0 470.481 4.583 20 0 JJADRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC001458436890 1067059951 /nfs/dbraw/zinc/05/99/51/1067059951.db2.gz FKIWNSIJKWKAHD-KZULUSFZSA-N 0 0 451.311 4.665 20 0 JJADRN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1ccc(-c2csc(C)n2)s1 ZINC001545772149 1067060284 /nfs/dbraw/zinc/06/02/84/1067060284.db2.gz OJUBSFVIBSNDGY-UHFFFAOYSA-N 0 0 457.549 4.860 20 0 JJADRN Cc1nc(C(C)C)oc1CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001450211807 1067060285 /nfs/dbraw/zinc/06/02/85/1067060285.db2.gz JOGGMKBTCVPSBL-UHFFFAOYSA-N 0 0 452.214 4.660 20 0 JJADRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001458439509 1067060610 /nfs/dbraw/zinc/06/06/10/1067060610.db2.gz ZMNZQKAUZYXZFL-GXTWGEPZSA-N 0 0 451.341 4.933 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(Cl)nc2C1)OC ZINC001545772495 1067060667 /nfs/dbraw/zinc/06/06/67/1067060667.db2.gz BXBVVOKCIXHPEY-UHFFFAOYSA-N 0 0 493.837 4.852 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)OC ZINC001545772619 1067061066 /nfs/dbraw/zinc/06/10/66/1067061066.db2.gz FWQWUZKWTNIOMS-ROUUACIJSA-N 0 0 494.478 4.884 20 0 JJADRN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)C ZINC001450223553 1067061040 /nfs/dbraw/zinc/06/10/40/1067061040.db2.gz GSHRNWJOLYHYLL-QHCPKHFHSA-N 0 0 455.595 4.836 20 0 JJADRN CCOC(=O)c1cnc(C)c(NC(=O)c2cccnc2Oc2ccc(Br)cc2)c1 ZINC001458440722 1067061081 /nfs/dbraw/zinc/06/10/81/1067061081.db2.gz RJWKSNFNZWBKLG-UHFFFAOYSA-N 0 0 456.296 4.769 20 0 JJADRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001458443605 1067061897 /nfs/dbraw/zinc/06/18/97/1067061897.db2.gz UZPVWYWQZMZCEH-OAHLLOKOSA-N 0 0 455.671 4.644 20 0 JJADRN Cn1cc([C@H]2CN(C(=O)c3ccc(COc4cccc(Br)c4)o3)CC2(C)C)cn1 ZINC001450236637 1067062460 /nfs/dbraw/zinc/06/24/60/1067062460.db2.gz LASCQHRZSGKHOD-LJQANCHMSA-N 0 0 458.356 4.620 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC12CCC2 ZINC001450235275 1067062573 /nfs/dbraw/zinc/06/25/73/1067062573.db2.gz ILHZJRDPXFHKFY-LJQANCHMSA-N 0 0 458.990 4.637 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1)OC ZINC001545772900 1067062698 /nfs/dbraw/zinc/06/26/98/1067062698.db2.gz PZOCPLLMYIFQAF-XMMPIXPASA-N 0 0 490.670 4.510 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)OC ZINC001545772898 1067062725 /nfs/dbraw/zinc/06/27/25/1067062725.db2.gz PZBFSYTYZNUHEF-HXUWFJFHSA-N 0 0 488.583 4.999 20 0 JJADRN CCC(CC)(Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](OC)C1)NC(=O)OC(C)(C)C ZINC001545772879 1067062829 /nfs/dbraw/zinc/06/28/29/1067062829.db2.gz PLOULCNOLPJCFB-IBGZPJMESA-N 0 0 483.613 5.000 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(OC)C1)OC ZINC001545773011 1067063033 /nfs/dbraw/zinc/06/30/33/1067063033.db2.gz TVVKFBWNHSHUCO-IBGZPJMESA-N 0 0 471.465 4.980 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)C1 ZINC001450247227 1067063811 /nfs/dbraw/zinc/06/38/11/1067063811.db2.gz CCXBPIQPILRJMK-YADHBBJMSA-N 0 0 456.627 4.621 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)SC ZINC001545774047 1067064178 /nfs/dbraw/zinc/06/41/78/1067064178.db2.gz CDEHMTLHCQIBSE-IBGZPJMESA-N 0 0 457.648 4.818 20 0 JJADRN CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC001458449676 1067064186 /nfs/dbraw/zinc/06/41/86/1067064186.db2.gz SQJHOKIWWNCOKA-UHFFFAOYSA-N 0 0 451.386 4.774 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545774060 1067064810 /nfs/dbraw/zinc/06/48/10/1067064810.db2.gz CJXPPKYBQZYPJV-NQIIRXRSSA-N 0 0 487.645 4.508 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1Oc1ccncc1 ZINC001458451316 1067064886 /nfs/dbraw/zinc/06/48/86/1067064886.db2.gz GSWMWMKQDZJEPL-BJKOFHAPSA-N 0 0 451.954 4.637 20 0 JJADRN Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1Oc1ccncc1 ZINC001458451319 1067065034 /nfs/dbraw/zinc/06/50/34/1067065034.db2.gz GSWMWMKQDZJEPL-DNQXCXABSA-N 0 0 451.954 4.637 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)C2)C1 ZINC001450252807 1067064945 /nfs/dbraw/zinc/06/49/45/1067064945.db2.gz JAZNYZPOFWPCRB-RTBURBONSA-N 0 0 452.542 4.716 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1 ZINC001450258460 1067065111 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CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)OC ZINC001545779540 1067074472 /nfs/dbraw/zinc/07/44/72/1067074472.db2.gz RGOYHOIEGCBVGV-UZLBHIALSA-N 0 0 479.547 4.798 20 0 JJADRN CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1)SC ZINC001545779466 1067074504 /nfs/dbraw/zinc/07/45/04/1067074504.db2.gz OYPNPIYJSGYQLE-UHFFFAOYSA-N 0 0 494.709 4.901 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCSC[C@@H]1C ZINC001546022382 1067074480 /nfs/dbraw/zinc/07/44/80/1067074480.db2.gz DPRDKJZSRRRWSM-INIZCTEOSA-N 0 0 457.669 4.870 20 0 JJADRN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)OC ZINC001545779539 1067074565 /nfs/dbraw/zinc/07/45/65/1067074565.db2.gz RGOYHOIEGCBVGV-OXQOHEQNSA-N 0 0 479.547 4.798 20 0 JJADRN O=C(Nc1ccc(Br)cc1)N1CCC(Nc2ncccc2Br)CC1 ZINC001458495670 1067074858 /nfs/dbraw/zinc/07/48/58/1067074858.db2.gz KQXMHBXRVDOBKJ-UHFFFAOYSA-N 0 0 454.166 4.715 20 0 JJADRN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCOC2(CCCC2)C1)NC(=O)OC(C)(C)C ZINC001545779673 1067075127 /nfs/dbraw/zinc/07/51/27/1067075127.db2.gz WWGILOURLZNLHI-UHFFFAOYSA-N 0 0 472.634 4.506 20 0 JJADRN C[C@H](NC(=O)c1cc(I)ccc1F)c1ccc(F)cc1OC(F)F ZINC001458498512 1067075334 /nfs/dbraw/zinc/07/53/34/1067075334.db2.gz JGOXFMUYRHZBDJ-QMMMGPOBSA-N 0 0 453.173 4.662 20 0 JJADRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(I)ccc1O ZINC001545779938 1067075448 /nfs/dbraw/zinc/07/54/48/1067075448.db2.gz GWIAOHCWLPNNJA-CQSZACIVSA-N 0 0 450.320 4.936 20 0 JJADRN Cc1coc(-c2cccc(NC(=O)C3([C@@]4(O)CCCN(C(=O)OC(C)(C)C)C4)CCC3)c2)n1 ZINC001545779840 1067075614 /nfs/dbraw/zinc/07/56/14/1067075614.db2.gz COWQOGIPSOOHQN-RUZDIDTESA-N 0 0 455.555 4.521 20 0 JJADRN CCC(CC)(Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)OC ZINC001545780687 1067075862 /nfs/dbraw/zinc/07/58/62/1067075862.db2.gz DULYVMCOGUSUJU-SFHVURJKSA-N 0 0 482.629 4.735 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1)OCc1ccccc1 ZINC001545780396 1067075922 /nfs/dbraw/zinc/07/59/22/1067075922.db2.gz UVXXCIGTQKJRQS-ZEQRLZLVSA-N 0 0 450.579 4.522 20 0 JJADRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1 ZINC001458501682 1067076370 /nfs/dbraw/zinc/07/63/70/1067076370.db2.gz KZRHYEXCJLXVKC-GFCCVEGCSA-N 0 0 459.793 4.573 20 0 JJADRN CC[C@@H]1CCCC[C@H]1CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001450403726 1067076727 /nfs/dbraw/zinc/07/67/27/1067076727.db2.gz GZOLFEKSCHAPAW-WCIQWLHISA-N 0 0 456.656 4.668 20 0 JJADRN CCC(CC)(Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1ccco1)SC ZINC001545780903 1067076787 /nfs/dbraw/zinc/07/67/87/1067076787.db2.gz NEFUMOXUEMMKKS-KRWDZBQOSA-N 0 0 490.699 4.950 20 0 JJADRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccs2)CC1)SC ZINC001545780960 1067076879 /nfs/dbraw/zinc/07/68/79/1067076879.db2.gz OQXQWTRHNUFRNJ-UHFFFAOYSA-N 0 0 456.685 4.958 20 0 JJADRN CCC(CC)(Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[C@@H]1CSC)OC ZINC001545780956 1067076895 /nfs/dbraw/zinc/07/68/95/1067076895.db2.gz OLPINMLRPHRHQI-LJQANCHMSA-N 0 0 498.697 4.773 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NC(C)=O)CC1)SC ZINC001545781225 1067077161 /nfs/dbraw/zinc/07/71/61/1067077161.db2.gz XGHGFXQPGLTVOL-UHFFFAOYSA-N 0 0 482.654 4.627 20 0 JJADRN CCC(CC)(Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC ZINC001545781214 1067077175 /nfs/dbraw/zinc/07/71/75/1067077175.db2.gz WNJBBKNKVQETQJ-UHFFFAOYSA-N 0 0 494.640 4.500 20 0 JJADRN CCC(CC)(Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2[C@H]1C)NC(=O)OC(C)(C)C ZINC001545781001 1067077256 /nfs/dbraw/zinc/07/72/56/1067077256.db2.gz PXTHTYXGEDPNCH-GOSISDBHSA-N 0 0 477.613 4.900 20 0 JJADRN CCC(CC)(Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCO[C@H](C)C1)SC ZINC001545781273 1067077453 /nfs/dbraw/zinc/07/74/53/1067077453.db2.gz ZCBKPXIMKHGYNA-LJQANCHMSA-N 0 0 454.644 4.668 20 0 JJADRN CCC(CC)(Cn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)NC(=O)OC(C)(C)C ZINC001545781993 1067077570 /nfs/dbraw/zinc/07/75/70/1067077570.db2.gz AIQPXOYJDKMUCF-JOCHJYFZSA-N 0 0 499.656 4.826 20 0 JJADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C)s1)SC ZINC001545781291 1067077663 /nfs/dbraw/zinc/07/76/63/1067077663.db2.gz ZPKHPZPUBPZKLY-UHFFFAOYSA-N 0 0 461.657 4.934 20 0 JJADRN CCOC(=O)c1ccc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1C ZINC001450406809 1067077831 /nfs/dbraw/zinc/07/78/31/1067077831.db2.gz KOFMAMAUTOCOQE-LJQANCHMSA-N 0 0 450.457 4.578 20 0 JJADRN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(F)cc1OC(F)F ZINC001458507004 1067078151 /nfs/dbraw/zinc/07/81/51/1067078151.db2.gz WEKOBBUHAQMYSH-LLVKDONJSA-N 0 0 454.246 4.866 20 0 JJADRN O=C(c1c(F)ccc(SCC2CC2)c1F)N1CC(=O)Nc2cc(Br)ccc21 ZINC001458507163 1067078276 /nfs/dbraw/zinc/07/82/76/1067078276.db2.gz SEJAJXJTBZLMBT-UHFFFAOYSA-N 0 0 453.308 4.828 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC001450415061 1067078375 /nfs/dbraw/zinc/07/83/75/1067078375.db2.gz QYIUQHPPIXVKDJ-FKBYEOEOSA-N 0 0 452.599 4.570 20 0 JJADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOc2ccc(F)cc2)CCO1 ZINC001546101541 1067078594 /nfs/dbraw/zinc/07/85/94/1067078594.db2.gz FWSJLMRIFSKKKV-DRLORSAXSA-N 0 0 474.621 4.810 20 0 JJADRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC001458515523 1067078976 /nfs/dbraw/zinc/07/89/76/1067078976.db2.gz DLCXMEFPGKONHI-SFHVURJKSA-N 0 0 456.512 4.810 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001546022645 1067079126 /nfs/dbraw/zinc/07/91/26/1067079126.db2.gz JULMZYPKBVZNCJ-UHFFFAOYSA-N 0 0 489.542 4.701 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CCCS2)CCO1 ZINC001546101584 1067079131 /nfs/dbraw/zinc/07/91/31/1067079131.db2.gz GNTYTTAEFFURLK-GLYQVZKVSA-N 0 0 479.691 4.641 20 0 JJADRN CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1)OC ZINC001545783936 1067079723 /nfs/dbraw/zinc/07/97/23/1067079723.db2.gz GVXGZTGKSVQSDO-LJQANCHMSA-N 0 0 463.667 4.834 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1CC(F)(F)C1)NC(=O)OC(C)(C)C ZINC001545784134 1067079889 /nfs/dbraw/zinc/07/98/89/1067079889.db2.gz LVOXMIHFLZUQBM-GOSISDBHSA-N 0 0 485.620 4.737 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(c1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC001458520399 1067079973 /nfs/dbraw/zinc/07/99/73/1067079973.db2.gz XRDYVXUQWFPSBE-OPAMFIHVSA-N 0 0 459.388 4.790 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1)SC ZINC001545784201 1067080028 /nfs/dbraw/zinc/08/00/28/1067080028.db2.gz NAFAIJNVYCKREJ-SFHVURJKSA-N 0 0 462.664 4.942 20 0 JJADRN CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)SC ZINC001545784156 1067080118 /nfs/dbraw/zinc/08/01/18/1067080118.db2.gz MLGGRGVPCWUHRH-UHFFFAOYSA-N 0 0 474.675 4.553 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](OCC(C)C)C1)NC(=O)OC(C)(C)C ZINC001545784205 1067080177 /nfs/dbraw/zinc/08/01/77/1067080177.db2.gz NBSNLWGZAJPTDC-LEWJYISDSA-N 0 0 493.693 4.855 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CC1)SC ZINC001545784386 1067080393 /nfs/dbraw/zinc/08/03/93/1067080393.db2.gz RSYBRMKAADYDIW-KRWDZBQOSA-N 0 0 451.681 4.913 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1)SC ZINC001545784398 1067080410 /nfs/dbraw/zinc/08/04/10/1067080410.db2.gz RYGURJVKMCXEIR-FCHUYYIVSA-N 0 0 458.672 4.889 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)OC ZINC001545784440 1067080873 /nfs/dbraw/zinc/08/08/73/1067080873.db2.gz SSLVYMFLUPXZES-WXFUMESZSA-N 0 0 470.658 4.981 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2ccc(Br)cc2Cl)o1 ZINC001450442302 1067080892 /nfs/dbraw/zinc/08/08/92/1067080892.db2.gz FKPMSALQEQNPNS-UHFFFAOYSA-N 0 0 457.752 4.693 20 0 JJADRN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC001450450230 1067081251 /nfs/dbraw/zinc/08/12/51/1067081251.db2.gz GRMPPNCZECLEOU-HNNXBMFYSA-N 0 0 453.130 4.730 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C ZINC001545785804 1067081539 /nfs/dbraw/zinc/08/15/39/1067081539.db2.gz COKZYUAOKODSMZ-SFHVURJKSA-N 0 0 493.599 4.780 20 0 JJADRN CCC(CC)(Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1)SC ZINC001545785699 1067081787 /nfs/dbraw/zinc/08/17/87/1067081787.db2.gz ATSPMFBOVJRVBP-LJQANCHMSA-N 0 0 493.674 4.738 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001546022926 1067081658 /nfs/dbraw/zinc/08/16/58/1067081658.db2.gz QYPXLUFNKNZGGV-KOSHJBKYSA-N 0 0 462.610 4.750 20 0 JJADRN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001546022942 1067081700 /nfs/dbraw/zinc/08/17/00/1067081700.db2.gz RHXVKBKFFVWYJM-WFXMLNOXSA-N 0 0 463.022 4.628 20 0 JJADRN CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CO)c3ccc(Br)cc3)cc2)cc1 ZINC001450454717 1067081933 /nfs/dbraw/zinc/08/19/33/1067081933.db2.gz SMUXXYRMFJWVOM-QFIPXVFZSA-N 0 0 454.320 4.907 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C)NC(=O)OC(C)(C)C ZINC001545786039 1067081888 /nfs/dbraw/zinc/08/18/88/1067081888.db2.gz ICBHZHSRBCAQDN-UHFFFAOYSA-N 0 0 489.709 4.937 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1F)NC(=O)OC(C)(C)C ZINC001545785931 1067081934 /nfs/dbraw/zinc/08/19/34/1067081934.db2.gz FXIRLKTZPFBLHT-HXUWFJFHSA-N 0 0 489.636 4.684 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(C)ccc1F)NC(=O)OC(C)(C)C ZINC001545786525 1067082423 /nfs/dbraw/zinc/08/24/23/1067082423.db2.gz QVCUQXVDLNHGGF-LJQANCHMSA-N 0 0 489.636 4.949 20 0 JJADRN CCCc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)[nH]c(C)c1C(C)=O ZINC001450460178 1067082301 /nfs/dbraw/zinc/08/23/01/1067082301.db2.gz ALZFGYZPAJOLAW-UHFFFAOYSA-N 0 0 455.555 4.860 20 0 JJADRN COc1ccc(C[C@@H](C)CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1OC ZINC001458531460 1067082556 /nfs/dbraw/zinc/08/25/56/1067082556.db2.gz NGGFTLBMGZMTMS-MRXNPFEDSA-N 0 0 453.485 4.822 20 0 JJADRN CC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1 ZINC001458532295 1067082574 /nfs/dbraw/zinc/08/25/74/1067082574.db2.gz COOKALSFDXBHPR-UHFFFAOYSA-N 0 0 457.408 4.573 20 0 JJADRN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001546023139 1067082647 /nfs/dbraw/zinc/08/26/47/1067082647.db2.gz XHBFLSBYMDSIAZ-SFHVURJKSA-N 0 0 469.655 4.932 20 0 JJADRN CC1(c2cccc(CNC(=O)COc3ccc4cc(Br)ccc4c3)c2)OCCO1 ZINC001450465663 1067082687 /nfs/dbraw/zinc/08/26/87/1067082687.db2.gz NURSKAQIAUBEPD-UHFFFAOYSA-N 0 0 456.336 4.517 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccccc3OC)n2CCSC(F)(F)F)CCO1 ZINC001546101796 1067082798 /nfs/dbraw/zinc/08/27/98/1067082798.db2.gz LMGFPAKTMIOHPE-LJQANCHMSA-N 0 0 476.590 4.837 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(Br)cc1 ZINC001458533720 1067083199 /nfs/dbraw/zinc/08/31/99/1067083199.db2.gz JLNQWNAIXFXMEL-BEFAXECRSA-N 0 0 450.398 4.882 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)NC(=O)OC(C)(C)C ZINC001545787930 1067083342 /nfs/dbraw/zinc/08/33/42/1067083342.db2.gz BWISZVIESHTZFL-OAQYLSRUSA-N 0 0 487.693 4.907 20 0 JJADRN COC[C@]1(C(=O)OC(C)(C)C)CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)C1 ZINC001458533778 1067083423 /nfs/dbraw/zinc/08/34/23/1067083423.db2.gz XKGVQYMHNHQLIR-DEOSSOPVSA-N 0 0 455.580 4.552 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cc2C1 ZINC001450471768 1067083627 /nfs/dbraw/zinc/08/36/27/1067083627.db2.gz SHIVXZZFDLAIAF-HXUWFJFHSA-N 0 0 452.551 4.962 20 0 JJADRN CC(C)OCc1ccc(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1 ZINC001450474466 1067083829 /nfs/dbraw/zinc/08/38/29/1067083829.db2.gz OMROUXVOKIHDJA-LOSJGSFVSA-N 0 0 450.579 4.779 20 0 JJADRN CSCc1cc(C(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)ccc1F ZINC001450480064 1067084106 /nfs/dbraw/zinc/08/41/06/1067084106.db2.gz XZOLQCHOKKMMIY-FYYLOGMGSA-N 0 0 456.583 4.856 20 0 JJADRN O=C(CCOc1ccccc1Cl)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001450477873 1067084156 /nfs/dbraw/zinc/08/41/56/1067084156.db2.gz UBAIBCWMPIEDDW-IRLDBZIGSA-N 0 0 456.970 4.662 20 0 JJADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)NC(=O)OC(C)(C)C ZINC001545788289 1067084086 /nfs/dbraw/zinc/08/40/86/1067084086.db2.gz OZOBCNHHCAUYBY-UXHICEINSA-N 0 0 477.694 4.813 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)SC ZINC001545788201 1067084121 /nfs/dbraw/zinc/08/41/21/1067084121.db2.gz MJOOCBRIUOGDNS-LJQANCHMSA-N 0 0 491.061 4.713 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccn(Cc2ccccc2)c1)c1ccc(Br)cc1 ZINC001458537371 1067084186 /nfs/dbraw/zinc/08/41/86/1067084186.db2.gz VTEGEPNYEOQQMU-NRFANRHFSA-N 0 0 455.352 4.723 20 0 JJADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)NC(=O)OC(C)(C)C ZINC001545788214 1067084315 /nfs/dbraw/zinc/08/43/15/1067084315.db2.gz MTOSZIATRWZMQI-NDEPHWFRSA-N 0 0 499.700 4.966 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Oc2ncccc2F)C1)OC ZINC001545788390 1067084423 /nfs/dbraw/zinc/08/44/23/1067084423.db2.gz SMEKERXEDVSOIC-FQEVSTJZSA-N 0 0 485.579 4.795 20 0 JJADRN C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc([S@@](C)=O)cc1 ZINC001458538398 1067084578 /nfs/dbraw/zinc/08/45/78/1067084578.db2.gz PSXGSMOLFUKRIO-RKXCMPKHSA-N 0 0 455.963 4.565 20 0 JJADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001458539560 1067084917 /nfs/dbraw/zinc/08/49/17/1067084917.db2.gz BFABTIXMQPFRRL-UHFFFAOYSA-N 0 0 454.448 4.804 20 0 JJADRN O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001546023461 1067085010 /nfs/dbraw/zinc/08/50/10/1067085010.db2.gz FCPIATFLYFLZHT-OAQYLSRUSA-N 0 0 456.336 4.865 20 0 JJADRN CC[C@@H](CSc1ccccc1)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 ZINC001546023538 1067085042 /nfs/dbraw/zinc/08/50/42/1067085042.db2.gz HHUAQXYLSYCTTN-INIZCTEOSA-N 0 0 455.605 4.639 20 0 JJADRN CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\c1cccnc1 ZINC001450492885 1067085155 /nfs/dbraw/zinc/08/51/55/1067085155.db2.gz HKSGTGNPSLYKED-PTHGBANUSA-N 0 0 455.558 4.918 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(c2nn3cc(-c4cccnc4)nc3s2)C1 ZINC001458545811 1067085138 /nfs/dbraw/zinc/08/51/38/1067085138.db2.gz GHKMZTYMJDFRIK-HSZRJFAPSA-N 0 0 456.616 4.620 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001458543634 1067085270 /nfs/dbraw/zinc/08/52/70/1067085270.db2.gz MSRLUIHGGGLHTE-GOSISDBHSA-N 0 0 456.608 4.509 20 0 JJADRN Cc1nn(-c2ccc(C(=O)NCCc3nc4c(s3)CCCC4)cc2)c(C)c1Br ZINC001458543008 1067085345 /nfs/dbraw/zinc/08/53/45/1067085345.db2.gz SYWHZNZVLRRCIG-UHFFFAOYSA-N 0 0 459.413 4.559 20 0 JJADRN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCOCC1 ZINC001545788752 1067085456 /nfs/dbraw/zinc/08/54/56/1067085456.db2.gz GRZBWGDXFZWAPD-AWEZNQCLSA-N 0 0 457.398 4.588 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cnn1-c1ccc(C)cc1 ZINC001458546685 1067085746 /nfs/dbraw/zinc/08/57/46/1067085746.db2.gz FVAUDDQLTKTYTF-UHFFFAOYSA-N 0 0 451.470 4.679 20 0 JJADRN COc1ccc(C2(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)CCCC2)cc1OC ZINC001450521592 1067085804 /nfs/dbraw/zinc/08/58/04/1067085804.db2.gz IEBAYLJUEVGELL-UHFFFAOYSA-N 0 0 450.623 4.983 20 0 JJADRN O=C(Cc1ccc(Cl)cc1Br)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458548101 1067086071 /nfs/dbraw/zinc/08/60/71/1067086071.db2.gz JAEWDSDKGZFSRI-UHFFFAOYSA-N 0 0 456.667 4.577 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC001458549164 1067086084 /nfs/dbraw/zinc/08/60/84/1067086084.db2.gz WAHDMXSCGWHRCR-HXUWFJFHSA-N 0 0 451.611 4.797 20 0 JJADRN Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC001458549279 1067086141 /nfs/dbraw/zinc/08/61/41/1067086141.db2.gz PVHFCCOAWZPFTN-UHFFFAOYSA-N 0 0 453.564 4.856 20 0 JJADRN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001458548924 1067086174 /nfs/dbraw/zinc/08/61/74/1067086174.db2.gz SKOWWESUYPUJLL-UHFFFAOYSA-N 0 0 458.223 4.733 20 0 JJADRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnc(Cl)c(Br)c1 ZINC001458549635 1067086187 /nfs/dbraw/zinc/08/61/87/1067086187.db2.gz WPUCWPQWURYGPG-CYBMUJFWSA-N 0 0 452.780 4.994 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccco2)C1)NC(=O)OC(C)(C)C ZINC001545789673 1067086267 /nfs/dbraw/zinc/08/62/67/1067086267.db2.gz PAXKNZFHCYNSPW-FQEVSTJZSA-N 0 0 494.640 4.934 20 0 JJADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)SC ZINC001545789666 1067086339 /nfs/dbraw/zinc/08/63/39/1067086339.db2.gz OXJQJFKBVVSWDK-JOCHJYFZSA-N 0 0 492.693 4.675 20 0 JJADRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnc(Cl)c(Br)c1 ZINC001458549641 1067086571 /nfs/dbraw/zinc/08/65/71/1067086571.db2.gz WPUCWPQWURYGPG-ZDUSSCGKSA-N 0 0 452.780 4.994 20 0 JJADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)cc(OC)c2)CCO1 ZINC001546101994 1067086658 /nfs/dbraw/zinc/08/66/58/1067086658.db2.gz PDNKOIVTEXMWIH-WXVAWEFUSA-N 0 0 499.656 4.721 20 0 JJADRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001450530034 1067086750 /nfs/dbraw/zinc/08/67/50/1067086750.db2.gz SJNOPUHHZGEANQ-ZDUSSCGKSA-N 0 0 455.755 4.885 20 0 JJADRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(Cl)c1Br ZINC001458553201 1067086907 /nfs/dbraw/zinc/08/69/07/1067086907.db2.gz YOAQALBPWZUQTA-UHFFFAOYSA-N 0 0 456.667 4.957 20 0 JJADRN Cc1ccc(-c2ncco2)cc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC001458551353 1067086971 /nfs/dbraw/zinc/08/69/71/1067086971.db2.gz WKUPQSXCVQYFHD-UHFFFAOYSA-N 0 0 454.408 4.775 20 0 JJADRN C[C@H](OC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)c1cnccn1 ZINC001458555679 1067086988 /nfs/dbraw/zinc/08/69/88/1067086988.db2.gz XCYTXCYETBXOGZ-AWEZNQCLSA-N 0 0 459.474 4.727 20 0 JJADRN CC[C@]1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2ccnc2C)CCO1 ZINC001546102065 1067087096 /nfs/dbraw/zinc/08/70/96/1067087096.db2.gz QIJCXOGBHRAAQP-HSZRJFAPSA-N 0 0 475.062 4.824 20 0 JJADRN C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(N2CCCCC2=O)cc1 ZINC001450535274 1067086932 /nfs/dbraw/zinc/08/69/32/1067086932.db2.gz AFLUVKQFJNBZHQ-FDDCHVKYSA-N 0 0 451.567 4.647 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)SC ZINC001545789822 1067086940 /nfs/dbraw/zinc/08/69/40/1067086940.db2.gz VFZBLKVVQAFKHR-LJQANCHMSA-N 0 0 475.678 4.623 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)OC ZINC001545790987 1067087333 /nfs/dbraw/zinc/08/73/33/1067087333.db2.gz DBHVOOAQSQCKNC-UHFFFAOYSA-N 0 0 491.702 4.971 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H](C)c3ccc(OC(F)(F)F)cc3)CCC(=O)N2C)cc1 ZINC001458558539 1067087501 /nfs/dbraw/zinc/08/75/01/1067087501.db2.gz BFBRTFLKGVSASA-ONTRVFCTSA-N 0 0 451.441 4.808 20 0 JJADRN COc1c(N)c(C(=O)N2C[C@H]3CCCCN3c3ccccc32)cc(Cl)c1Br ZINC001450535618 1067087569 /nfs/dbraw/zinc/08/75/69/1067087569.db2.gz RGZRYBJYYZPDCZ-GFCCVEGCSA-N 0 0 450.764 4.713 20 0 JJADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccoc1)NC(=O)OC(C)(C)C ZINC001545790992 1067087640 /nfs/dbraw/zinc/08/76/40/1067087640.db2.gz DFEZYUVVPZJXLO-UHFFFAOYSA-N 0 0 488.658 4.947 20 0 JJADRN COc1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c(OC)c1 ZINC001458566682 1067088553 /nfs/dbraw/zinc/08/85/53/1067088553.db2.gz BXBGLXZGGIZOHW-JOCHJYFZSA-N 0 0 450.535 4.853 20 0 JJADRN CC(=O)Nc1ccc(Cl)c(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC001458567192 1067088610 /nfs/dbraw/zinc/08/86/10/1067088610.db2.gz FDTQJYPTYLNJFZ-UHFFFAOYSA-N 0 0 450.244 4.565 20 0 JJADRN CCOC(=O)CN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)[C@H](C)c1ccccc1 ZINC001458567350 1067088666 /nfs/dbraw/zinc/08/86/66/1067088666.db2.gz FYHLVNBFJAQNHV-QGZVFWFLSA-N 0 0 456.539 4.936 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)OC ZINC001545791371 1067088677 /nfs/dbraw/zinc/08/86/77/1067088677.db2.gz QBDLFPWOWKJSER-UHFFFAOYSA-N 0 0 499.656 4.627 20 0 JJADRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccccc1 ZINC001458568698 1067089159 /nfs/dbraw/zinc/08/91/59/1067089159.db2.gz PELIELMOEQIGKX-OAHLLOKOSA-N 0 0 459.955 4.635 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3Cc4ccccc4O[C@@H](C)C3)ccc2C)cc1 ZINC001450544951 1067088978 /nfs/dbraw/zinc/08/89/78/1067088978.db2.gz BXPSVWQDPKFZTH-IBGZPJMESA-N 0 0 450.560 4.528 20 0 JJADRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccccc1 ZINC001458568695 1067089234 /nfs/dbraw/zinc/08/92/34/1067089234.db2.gz PELIELMOEQIGKX-HNNXBMFYSA-N 0 0 459.955 4.635 20 0 JJADRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(C)C)C1)NC(=O)OC(C)(C)C ZINC001545791507 1067089355 /nfs/dbraw/zinc/08/93/55/1067089355.db2.gz VBSNUMFHAGPFJJ-HXUWFJFHSA-N 0 0 491.702 4.875 20 0 JJADRN O=C(CNC(=O)N1CCCC1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001545791625 1067089690 /nfs/dbraw/zinc/08/96/90/1067089690.db2.gz ADNISECQGDVXNH-SFHVURJKSA-N 0 0 459.377 4.528 20 0 JJADRN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001545792151 1067089774 /nfs/dbraw/zinc/08/97/74/1067089774.db2.gz RAZHKMOYXANTRP-HSZRJFAPSA-N 0 0 456.558 4.908 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN(c2ncccc2F)CC1 ZINC001458570120 1067089627 /nfs/dbraw/zinc/08/96/27/1067089627.db2.gz UCOUQYAGZNMTKE-UHFFFAOYSA-N 0 0 450.461 4.634 20 0 JJADRN Cc1cc(NC(=O)CCOc2ccc(F)cc2Cl)c(C(=O)NCC(F)(F)F)cc1F ZINC001450548291 1067089776 /nfs/dbraw/zinc/08/97/76/1067089776.db2.gz UYZDZPGDZFFNOP-UHFFFAOYSA-N 0 0 450.791 4.626 20 0 JJADRN COC(=O)c1oc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1C ZINC001458571218 1067089751 /nfs/dbraw/zinc/08/97/51/1067089751.db2.gz YBRSLJGRBYZAOH-LJQANCHMSA-N 0 0 452.507 4.524 20 0 JJADRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC001450549821 1067090048 /nfs/dbraw/zinc/09/00/48/1067090048.db2.gz QZCHYABLSUTTNP-ROUUACIJSA-N 0 0 455.640 4.612 20 0 JJADRN CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001450549910 1067090096 /nfs/dbraw/zinc/09/00/96/1067090096.db2.gz KVWIRECTPAFIOU-UHFFFAOYSA-N 0 0 456.395 4.737 20 0 JJADRN Cc1ccc(-n2nc(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c3c2CCCC3)cc1 ZINC001450553209 1067090416 /nfs/dbraw/zinc/09/04/16/1067090416.db2.gz WXVIPDVWHYACLW-IBGZPJMESA-N 0 0 454.615 4.873 20 0 JJADRN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)SC ZINC001545792785 1067090887 /nfs/dbraw/zinc/09/08/87/1067090887.db2.gz MLPBUZIRMPHJPD-UHFFFAOYSA-N 0 0 487.714 4.516 20 0 JJADRN Cc1cc(CC(C)(C)NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)ccc1Br ZINC001450553890 1067091025 /nfs/dbraw/zinc/09/10/25/1067091025.db2.gz OCTCWEUEOWYEIP-UHFFFAOYSA-N 0 0 454.368 4.571 20 0 JJADRN O=Cc1ccc(OCC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c(Br)c1 ZINC001450560343 1067091505 /nfs/dbraw/zinc/09/15/05/1067091505.db2.gz TZXKNBHBQFYZFM-UHFFFAOYSA-N 0 0 453.283 4.548 20 0 JJADRN FC(F)(F)c1ccc(I)c(NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC001458589313 1067091405 /nfs/dbraw/zinc/09/14/05/1067091405.db2.gz DMDVRXDVCKAXHO-XVKPBYJWSA-N 0 0 454.152 4.617 20 0 JJADRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458591134 1067091602 /nfs/dbraw/zinc/09/16/02/1067091602.db2.gz UEUZWSHRLPMHJY-AUUYWEPGSA-N 0 0 456.867 4.988 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001458591153 1067091667 /nfs/dbraw/zinc/09/16/67/1067091667.db2.gz UEUZWSHRLPMHJY-IFXJQAMLSA-N 0 0 456.867 4.988 20 0 JJADRN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)SC ZINC001545793069 1067091621 /nfs/dbraw/zinc/09/16/21/1067091621.db2.gz VFAVBYIUILZBIS-PXDATVDWSA-N 0 0 488.698 4.780 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001546024331 1067091869 /nfs/dbraw/zinc/09/18/69/1067091869.db2.gz ATYVUDZXHBVPBN-HSZRJFAPSA-N 0 0 466.573 4.739 20 0 JJADRN COCc1nc2scc(-c3ccccc3)c2c(NCCc2ccccc2S(C)(=O)=O)n1 ZINC001458591092 1067091883 /nfs/dbraw/zinc/09/18/83/1067091883.db2.gz BXZLLCAVMGHMJD-UHFFFAOYSA-N 0 0 453.589 4.563 20 0 JJADRN CC1(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)Cc2ccccc2C1 ZINC001545794021 1067092061 /nfs/dbraw/zinc/09/20/61/1067092061.db2.gz SABYLJCNDKGIAL-UHFFFAOYSA-N 0 0 453.336 4.829 20 0 JJADRN CCC(CC)(Cn1c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nnc1C(C)(C)C)SC ZINC001545794353 1067092182 /nfs/dbraw/zinc/09/21/82/1067092182.db2.gz AOMRZLAYFPORIJ-GOSISDBHSA-N 0 0 451.725 4.875 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001546024354 1067092230 /nfs/dbraw/zinc/09/22/30/1067092230.db2.gz BWFMGSNHIVGSNL-DYESRHJHSA-N 0 0 456.612 4.533 20 0 JJADRN C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)C1 ZINC001458598764 1067092515 /nfs/dbraw/zinc/09/25/15/1067092515.db2.gz DBOUCTKOZLKOFB-KRWDZBQOSA-N 0 0 454.979 4.969 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1C(C)(C)C)SC ZINC001545794430 1067092597 /nfs/dbraw/zinc/09/25/97/1067092597.db2.gz CTOJWINPJBMVJI-KRWDZBQOSA-N 0 0 453.697 4.943 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2oncc2C1)OC ZINC001545794510 1067092624 /nfs/dbraw/zinc/09/26/24/1067092624.db2.gz FPWCHSDMZOJVJN-UHFFFAOYSA-N 0 0 467.614 4.911 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1)OC ZINC001545794519 1067092656 /nfs/dbraw/zinc/09/26/56/1067092656.db2.gz FWJKFTUCMHOITD-GOSISDBHSA-N 0 0 450.624 4.923 20 0 JJADRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)c1ccccc1 ZINC001450594641 1067092900 /nfs/dbraw/zinc/09/29/00/1067092900.db2.gz HQDZFRJJAZAADP-ZZWZOVRCSA-N 0 0 487.641 4.842 20 0 JJADRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC001458599541 1067092847 /nfs/dbraw/zinc/09/28/47/1067092847.db2.gz YUVJLLLJDXZJKX-HNNXBMFYSA-N 0 0 455.440 4.591 20 0 JJADRN CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1)OC ZINC001545794552 1067092871 /nfs/dbraw/zinc/09/28/71/1067092871.db2.gz HAAXLHFDAYWENV-BAGYTPMASA-N 0 0 458.672 4.945 20 0 JJADRN CCC(CC)(Cn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1C(C)(C)C)OC ZINC001545794538 1067092886 /nfs/dbraw/zinc/09/28/86/1067092886.db2.gz GKJQVLUTHZBKCM-UHFFFAOYSA-N 0 0 480.028 4.536 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)OCc3cn(-c4ccc(F)cc4Cl)nn3)CCCC[C@H]12 ZINC001458602296 1067093083 /nfs/dbraw/zinc/09/30/83/1067093083.db2.gz IMLOIKCCAQJTFK-WMZHIEFXSA-N 0 0 478.952 4.673 20 0 JJADRN COc1ccc(C[C@@](C)(O)CNC(=O)c2cccc(F)c2Sc2ccccc2)cc1OC ZINC001450596469 1067093030 /nfs/dbraw/zinc/09/30/30/1067093030.db2.gz MSBCHXFMXQNJRC-RUZDIDTESA-N 0 0 455.551 4.718 20 0 JJADRN C[C@H](NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)c1ccc(Br)cc1F ZINC001450596296 1067093228 /nfs/dbraw/zinc/09/32/28/1067093228.db2.gz MHMUJROVPDYEAF-OBPXBXINSA-N 0 0 457.294 4.676 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)OC ZINC001545794723 1067093195 /nfs/dbraw/zinc/09/31/95/1067093195.db2.gz MSKLPIWCBCFJJJ-NRFANRHFSA-N 0 0 462.610 4.985 20 0 JJADRN CCC(CC)(Cn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001545794729 1067093373 /nfs/dbraw/zinc/09/33/73/1067093373.db2.gz NAMCRFFSPQSPTD-ATIYNZHBSA-N 0 0 456.631 4.865 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCOC1)SC ZINC001545794709 1067093402 /nfs/dbraw/zinc/09/34/02/1067093402.db2.gz MDNFXQVYAARRSM-AQNXPRMDSA-N 0 0 495.734 4.833 20 0 JJADRN O=C(c1ccc(-c2cccc(F)c2)s1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC001458605024 1067093336 /nfs/dbraw/zinc/09/33/36/1067093336.db2.gz JQZRUQKOIUITKO-IBGZPJMESA-N 0 0 459.340 4.630 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)[C@H]1c1ccc(OC)cc1 ZINC001458606639 1067093668 /nfs/dbraw/zinc/09/36/68/1067093668.db2.gz ZNJZSGZGJDDQAQ-GAJHUEQPSA-N 0 0 458.942 4.796 20 0 JJADRN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC001458607469 1067093833 /nfs/dbraw/zinc/09/38/33/1067093833.db2.gz AYIWGSCOCNTINS-UHFFFAOYSA-N 0 0 459.291 4.563 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)CSc4ccccc43)c2)C1 ZINC001458608937 1067094008 /nfs/dbraw/zinc/09/40/08/1067094008.db2.gz OWWXCEBZFJHGHP-CEXWTWQISA-N 0 0 458.649 4.742 20 0 JJADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CC=CCC1)NC(=O)OC(C)(C)C ZINC001545794896 1067094243 /nfs/dbraw/zinc/09/42/43/1067094243.db2.gz REPMLIIGOAUWIM-UHFFFAOYSA-N 0 0 473.593 4.846 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21)SC ZINC001545794922 1067094258 /nfs/dbraw/zinc/09/42/58/1067094258.db2.gz RUFUBNHQSNAETL-OKYOBFRVSA-N 0 0 463.692 4.959 20 0 JJADRN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)SC ZINC001545794930 1067094298 /nfs/dbraw/zinc/09/42/98/1067094298.db2.gz SDUOVHZVIFCVAC-CYFREDJKSA-N 0 0 492.661 4.692 20 0 JJADRN C[C@H](CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CCc2ccccc21 ZINC001450601751 1067094141 /nfs/dbraw/zinc/09/41/41/1067094141.db2.gz WKDKTNAMPCKAHV-NFBKMPQASA-N 0 0 451.611 4.990 20 0 JJADRN CC1=NN(c2ccc(C(=O)N3CCC[C@@H]([C@H](O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC001450605652 1067094508 /nfs/dbraw/zinc/09/45/08/1067094508.db2.gz LKHQZFINPXNFAX-DENIHFKCSA-N 0 0 456.384 4.621 20 0 JJADRN CCC(CC)(Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1)SC ZINC001545794981 1067094520 /nfs/dbraw/zinc/09/45/20/1067094520.db2.gz TVYDQYJXRVRNHX-CEXWTWQISA-N 0 0 481.707 4.586 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc1 ZINC001458611941 1067094799 /nfs/dbraw/zinc/09/47/99/1067094799.db2.gz ZZGPUSHFEVIVRB-OAQYLSRUSA-N 0 0 459.384 4.722 20 0 JJADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC001458611643 1067095021 /nfs/dbraw/zinc/09/50/21/1067095021.db2.gz RUSGSZLXCSHLHU-GFCCVEGCSA-N 0 0 452.274 4.906 20 0 JJADRN C[C@H](OC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612633 1067095378 /nfs/dbraw/zinc/09/53/78/1067095378.db2.gz CCDHXZRWCLWWLL-OBHHBEAMSA-N 0 0 454.489 4.951 20 0 JJADRN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001545796197 1067095529 /nfs/dbraw/zinc/09/55/29/1067095529.db2.gz YCOBTWXZRYULMB-ICSRJNTNSA-N 0 0 452.551 4.554 20 0 JJADRN Cc1cc(C(F)F)n2ncc(C(=O)O[C@H](C)c3nc4cc(C(F)(F)F)ccc4n3C)c2n1 ZINC001458613029 1067095590 /nfs/dbraw/zinc/09/55/90/1067095590.db2.gz GFWWAZCGMSOVPY-SNVBAGLBSA-N 0 0 453.371 4.799 20 0 JJADRN Cc1nn(C)c2nc(C)c(CC(=O)O[C@H](C)c3nc4cc(C(F)(F)F)ccc4n3C)c(C)c12 ZINC001458613058 1067095646 /nfs/dbraw/zinc/09/56/46/1067095646.db2.gz HGSHQSFFGGSTHW-CQSZACIVSA-N 0 0 459.472 4.646 20 0 JJADRN O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450610384 1067095683 /nfs/dbraw/zinc/09/56/83/1067095683.db2.gz QUMQRVCEJONGMW-BLNUVLEBSA-N 0 0 458.396 4.717 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1)SC ZINC001545796356 1067095912 /nfs/dbraw/zinc/09/59/12/1067095912.db2.gz BYDYXUXLASYWNK-UDIDDNNKSA-N 0 0 488.698 4.890 20 0 JJADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1)OC ZINC001545796325 1067096049 /nfs/dbraw/zinc/09/60/49/1067096049.db2.gz BFJGMLCQFQRZJM-YPAWHYETSA-N 0 0 462.679 4.655 20 0 JJADRN COc1cccc(C2(CNC(=O)c3c(C)nn(-c4ccc(Br)cc4)c3C)CC2)c1 ZINC001450614873 1067095888 /nfs/dbraw/zinc/09/58/88/1067095888.db2.gz WHAZIHKXCFZQPW-UHFFFAOYSA-N 0 0 454.368 4.722 20 0 JJADRN O=C(c1cccn1Cc1cccs1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450611369 1067095993 /nfs/dbraw/zinc/09/59/93/1067095993.db2.gz VPYWSZJSNFBRKE-IBGZPJMESA-N 0 0 456.917 4.859 20 0 JJADRN O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450616191 1067096316 /nfs/dbraw/zinc/09/63/16/1067096316.db2.gz YCAGVHJHNNXELX-MQSCRBSSSA-N 0 0 458.396 4.929 20 0 JJADRN COc1ccccc1SCC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450617283 1067096482 /nfs/dbraw/zinc/09/64/82/1067096482.db2.gz ZGIJRSGXMYNSMV-IERDGZPVSA-N 0 0 450.398 4.522 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001450620649 1067096682 /nfs/dbraw/zinc/09/66/82/1067096682.db2.gz GPFJDNQQWXEGBE-NQJCEKDFSA-N 0 0 450.579 4.781 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCN1C(=O)OC(C)(C)C ZINC001458619631 1067096748 /nfs/dbraw/zinc/09/67/48/1067096748.db2.gz DAIRKZSIIOFUAO-MAUKXSAKSA-N 0 0 456.414 4.678 20 0 JJADRN O=C(c1ncoc1-c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450624452 1067096707 /nfs/dbraw/zinc/09/67/07/1067096707.db2.gz KFQGXYSSYUBAMT-KRWDZBQOSA-N 0 0 456.823 4.742 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2CC1)SC ZINC001545796794 1067097133 /nfs/dbraw/zinc/09/71/33/1067097133.db2.gz PQQQXLMJHOKZSO-VXKWHMMOSA-N 0 0 458.672 4.529 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(F)F)C1)NC(=O)OC(C)(C)C ZINC001545796793 1067097221 /nfs/dbraw/zinc/09/72/21/1067097221.db2.gz PQACEKAPTNRNGJ-IAGOWNOFSA-N 0 0 471.593 4.695 20 0 JJADRN CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C(C)C)C1)SC ZINC001545796856 1067097277 /nfs/dbraw/zinc/09/72/77/1067097277.db2.gz RDQNAUFUTJHLHS-OTWHNJEPSA-N 0 0 456.722 4.502 20 0 JJADRN COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC001458620630 1067097232 /nfs/dbraw/zinc/09/72/32/1067097232.db2.gz AAYNSJZOZPWHSO-UHFFFAOYSA-N 0 0 455.864 4.704 20 0 JJADRN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1)SC ZINC001545797018 1067097529 /nfs/dbraw/zinc/09/75/29/1067097529.db2.gz WNIFIKCPMJRFDP-GOSISDBHSA-N 0 0 453.056 4.743 20 0 JJADRN CC1(C)Cc2cccc(OCC(=O)N3CCc4c(Br)ccc(Cl)c4C3)c2O1 ZINC001458622702 1067097602 /nfs/dbraw/zinc/09/76/02/1067097602.db2.gz HEWOHOGAYZMCMZ-UHFFFAOYSA-N 0 0 450.760 4.780 20 0 JJADRN COc1ccc(-c2cc(C(=O)N3[C@@H](C)CN(c4ccc(C(F)(F)F)cc4)C[C@@H]3C)[nH]n2)cc1 ZINC001450630447 1067097582 /nfs/dbraw/zinc/09/75/82/1067097582.db2.gz RZFBIPYUPFQZTJ-HOTGVXAUSA-N 0 0 458.484 4.844 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1)OC ZINC001545797910 1067097864 /nfs/dbraw/zinc/09/78/64/1067097864.db2.gz BXMQWWWDTOVNIQ-QGZVFWFLSA-N 0 0 485.492 4.819 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1)OC ZINC001545797958 1067097976 /nfs/dbraw/zinc/09/79/76/1067097976.db2.gz CLYFLBJGHYQNMA-QHCPKHFHSA-N 0 0 488.076 4.889 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1)OC ZINC001545798128 1067098512 /nfs/dbraw/zinc/09/85/12/1067098512.db2.gz GJKPEKAYALUPJU-DNQXCXABSA-N 0 0 467.589 4.898 20 0 JJADRN CNC(=O)c1cc(O[C@H]2CCCN(C(=O)CCCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001450645413 1067098708 /nfs/dbraw/zinc/09/87/08/1067098708.db2.gz QRIHORRFOAODPA-QHCPKHFHSA-N 0 0 451.611 4.522 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001546024665 1067098725 /nfs/dbraw/zinc/09/87/25/1067098725.db2.gz MPFICBXPACDFKC-GJZGRUSLSA-N 0 0 453.400 4.880 20 0 JJADRN CC[C@@]1(C)CN(c2nnc(CSc3ccc(C)cc3)n2CCCCn2ccnc2C)CCO1 ZINC001546102490 1067099281 /nfs/dbraw/zinc/09/92/81/1067099281.db2.gz YUOJZRUJJDBBIP-VWLOTQADSA-N 0 0 468.671 4.869 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N[C@H](c3ccccc3)[C@@H](O)c3ccccc3)CCC[C@H]12 ZINC001450656934 1067099446 /nfs/dbraw/zinc/09/94/46/1067099446.db2.gz FCAREFYHRCPJQZ-NBCVKUGOSA-N 0 0 450.579 4.757 20 0 JJADRN CCOc1cc(Br)c(F)cc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001450666001 1067099877 /nfs/dbraw/zinc/09/98/77/1067099877.db2.gz CKXSOJJOVPPNAE-HIFRSBDPSA-N 0 0 473.293 4.836 20 0 JJADRN Cn1c2cc(O)c(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cc2n(C)c1=O ZINC001450665973 1067099911 /nfs/dbraw/zinc/09/99/11/1067099911.db2.gz BYGKVMSYBJCYPB-UHFFFAOYSA-N 0 0 457.408 4.646 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC001450662120 1067099990 /nfs/dbraw/zinc/09/99/90/1067099990.db2.gz OZPJICUDIDWRJS-LJQANCHMSA-N 0 0 452.517 4.886 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC ZINC001545798421 1067100078 /nfs/dbraw/zinc/10/00/78/1067100078.db2.gz KVZHOKRTGPFWDS-LEWJYISDSA-N 0 0 473.662 4.819 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001545798469 1067100672 /nfs/dbraw/zinc/10/06/72/1067100672.db2.gz LMNRFBDCBSOWSD-GHTZIAJQSA-N 0 0 483.613 4.810 20 0 JJADRN O=C(Cc1ccc(Br)cc1O)NCC1(c2ccccc2Br)CCC1 ZINC001450669256 1067100729 /nfs/dbraw/zinc/10/07/29/1067100729.db2.gz JTVWUZLBNCDYFM-UHFFFAOYSA-N 0 0 453.174 4.698 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)nnn1CCOc1ccc(F)cc1 ZINC001458654462 1067100687 /nfs/dbraw/zinc/10/06/87/1067100687.db2.gz RDDCPENNRGINNU-NRFANRHFSA-N 0 0 450.558 4.633 20 0 JJADRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC001458654104 1067100731 /nfs/dbraw/zinc/10/07/31/1067100731.db2.gz BTVJFHPCOCGNAY-UHFFFAOYSA-N 0 0 453.970 4.924 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)nnn1CCOc1ccc(F)cc1 ZINC001458654483 1067100800 /nfs/dbraw/zinc/10/08/00/1067100800.db2.gz RDDCPENNRGINNU-OAQYLSRUSA-N 0 0 450.558 4.633 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)OC ZINC001545798483 1067100742 /nfs/dbraw/zinc/10/07/42/1067100742.db2.gz LRCHLEQQLQFSST-RPWUZVMVSA-N 0 0 487.595 4.981 20 0 JJADRN COC(=O)c1ccc2[nH]c(CNC(=O)c3sc4ccc(Br)cc4c3C)nc2c1 ZINC001450669376 1067100787 /nfs/dbraw/zinc/10/07/87/1067100787.db2.gz VJUSMUPGUQXWSV-UHFFFAOYSA-N 0 0 458.337 4.565 20 0 JJADRN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)CO1 ZINC001458655821 1067101258 /nfs/dbraw/zinc/10/12/58/1067101258.db2.gz GJEFCJGOKAZXAA-UNMCSNQZSA-N 0 0 457.542 4.548 20 0 JJADRN CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C2)cc1 ZINC001458657295 1067101289 /nfs/dbraw/zinc/10/12/89/1067101289.db2.gz VRAOINWCKAKPBG-QGZVFWFLSA-N 0 0 457.372 4.510 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)C1(C)C ZINC001450670135 1067101301 /nfs/dbraw/zinc/10/13/01/1067101301.db2.gz IFZVXBXLQFJABF-LPHOPBHVSA-N 0 0 459.587 4.714 20 0 JJADRN CC(C)n1ncc2c1[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CCC2 ZINC001458657362 1067101779 /nfs/dbraw/zinc/10/17/79/1067101779.db2.gz JYJUFOSMSWJOES-RXYACCJXSA-N 0 0 455.002 4.706 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)C(C)(C)C1)OC ZINC001545798808 1067102465 /nfs/dbraw/zinc/10/24/65/1067102465.db2.gz RSORESVTKJRPII-OALUTQOASA-N 0 0 482.467 4.738 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC001450683542 1067102713 /nfs/dbraw/zinc/10/27/13/1067102713.db2.gz LQHIHFMZLJBWRJ-UHFFFAOYSA-N 0 0 454.449 4.781 20 0 JJADRN COc1cc(Br)ccc1CCCNC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC001546102604 1067103101 /nfs/dbraw/zinc/10/31/01/1067103101.db2.gz CCHMXKUUIICSKU-UHFFFAOYSA-N 0 0 455.352 4.896 20 0 JJADRN O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001450688713 1067103261 /nfs/dbraw/zinc/10/32/61/1067103261.db2.gz LCTASKLPFBGAFO-NVXWUHKLSA-N 0 0 453.391 4.616 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCC1)OC ZINC001545799049 1067103591 /nfs/dbraw/zinc/10/35/91/1067103591.db2.gz VYNJJORLLNRZNU-NRFANRHFSA-N 0 0 490.718 4.768 20 0 JJADRN CCc1ccc2c(c1)[C@H](OC(=O)c1cc(C)c(OCC(=O)N3CCCCC3)c(C)c1)CCO2 ZINC001458668581 1067104286 /nfs/dbraw/zinc/10/42/86/1067104286.db2.gz XVSJGGZNRWUQFP-XMMPIXPASA-N 0 0 451.563 4.938 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)C1 ZINC001450693916 1067104457 /nfs/dbraw/zinc/10/44/57/1067104457.db2.gz QSOBVAMVVHMPTO-FQEVSTJZSA-N 0 0 451.567 4.983 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(C1)CCCOC2)OC ZINC001545799195 1067104959 /nfs/dbraw/zinc/10/49/59/1067104959.db2.gz ZACXJRAAGDGOQP-OFNKIYASSA-N 0 0 494.478 4.884 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1)OC ZINC001545799205 1067105014 /nfs/dbraw/zinc/10/50/14/1067105014.db2.gz ZDDDUKRTIYOWDV-DENIHFKCSA-N 0 0 480.028 4.684 20 0 JJADRN CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)[C@H](C)C(C)C ZINC001450696850 1067105264 /nfs/dbraw/zinc/10/52/64/1067105264.db2.gz DEJZWWIORGRWCK-OAHLLOKOSA-N 0 0 453.402 4.757 20 0 JJADRN Cc1c(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cccc1N1C(=O)N[C@@H](C)C1=O ZINC001450698275 1067105339 /nfs/dbraw/zinc/10/53/39/1067105339.db2.gz ZMAIHFWUFGWVJS-HNNXBMFYSA-N 0 0 451.567 4.993 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC001545800052 1067105640 /nfs/dbraw/zinc/10/56/40/1067105640.db2.gz AJESMMDONHVVNC-CTNGQTDRSA-N 0 0 469.659 4.725 20 0 JJADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)c2)cc1F ZINC001450698827 1067106046 /nfs/dbraw/zinc/10/60/46/1067106046.db2.gz ZDYDRAHFXIBXQR-KRWDZBQOSA-N 0 0 458.559 4.991 20 0 JJADRN Cc1cc(COc2ccc(C(=O)N[C@H]3C[C@H](OC(C)C)C3(C)C)cc2Br)no1 ZINC001458672777 1067106389 /nfs/dbraw/zinc/10/63/89/1067106389.db2.gz SKIPMDCPMALDRY-OALUTQOASA-N 0 0 451.361 4.646 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1)OC ZINC001545800278 1067106632 /nfs/dbraw/zinc/10/66/32/1067106632.db2.gz DGHFTXUSKWJHSI-UPVQGACJSA-N 0 0 470.658 4.501 20 0 JJADRN CCC(CC)[C@H](CCn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)OC ZINC001545800466 1067106889 /nfs/dbraw/zinc/10/68/89/1067106889.db2.gz HBLAIWANGILJMI-XLIONFOSSA-N 0 0 459.601 4.850 20 0 JJADRN CC(C)(C)Sc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccn1 ZINC001458678490 1067106964 /nfs/dbraw/zinc/10/69/64/1067106964.db2.gz UUQVSRQLYVJTNG-MRXNPFEDSA-N 0 0 451.514 4.522 20 0 JJADRN COC(=O)C[C@@H](Cc1ccccc1)Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC001458678312 1067107067 /nfs/dbraw/zinc/10/70/67/1067107067.db2.gz YPKIIKMKYRSNED-GOSISDBHSA-N 0 0 456.333 4.684 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1)OC ZINC001545800598 1067107365 /nfs/dbraw/zinc/10/73/65/1067107365.db2.gz JIYDSAWGGHLIPA-RDGATRHJSA-N 0 0 461.050 4.980 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccsc2)CC1)OC ZINC001545800534 1067107455 /nfs/dbraw/zinc/10/74/55/1067107455.db2.gz IAVWOZDEYHTKHP-HSZRJFAPSA-N 0 0 496.681 4.514 20 0 JJADRN CCCN(CC)c1ccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cn1 ZINC001450703973 1067107507 /nfs/dbraw/zinc/10/75/07/1067107507.db2.gz VVUJTFJTXNPQEL-UHFFFAOYSA-N 0 0 452.599 4.936 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2)CC1)OC ZINC001545800896 1067107926 /nfs/dbraw/zinc/10/79/26/1067107926.db2.gz NVSQRLRVDFAAQQ-RPWUZVMVSA-N 0 0 455.647 4.688 20 0 JJADRN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)OC ZINC001545800855 1067107934 /nfs/dbraw/zinc/10/79/34/1067107934.db2.gz NODMOYGQHKDRFX-NHCUHLMSSA-N 0 0 463.667 4.833 20 0 JJADRN CCC(CC)[C@H](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)OC ZINC001545800759 1067107955 /nfs/dbraw/zinc/10/79/55/1067107955.db2.gz LUZUGLAPWJLFNJ-YKSBVNFPSA-N 0 0 480.657 4.976 20 0 JJADRN Cc1c(NC(=O)CCOc2ccccc2-c2ccccc2)cccc1S(=O)(=O)NC1CC1 ZINC001450706180 1067108201 /nfs/dbraw/zinc/10/82/01/1067108201.db2.gz PTBPYXBWGAAISJ-UHFFFAOYSA-N 0 0 450.560 4.510 20 0 JJADRN CCC(CC)[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001545801214 1067108720 /nfs/dbraw/zinc/10/87/20/1067108720.db2.gz SLBWESPIULBEFZ-NRFANRHFSA-N 0 0 460.642 4.569 20 0 JJADRN COc1ccccc1[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)c1ccco1 ZINC001450708261 1067108941 /nfs/dbraw/zinc/10/89/41/1067108941.db2.gz PPZNEEYZDKVQSP-OAQYLSRUSA-N 0 0 453.292 4.824 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)c3ccc(Cl)s3)C2=O)ccc1Br ZINC001458686561 1067109300 /nfs/dbraw/zinc/10/93/00/1067109300.db2.gz VBVSEKPGXIOQTP-SWLSCSKDSA-N 0 0 455.805 4.888 20 0 JJADRN CCOc1c(Cl)cc(NC(=O)c2cccnc2-n2cc(Br)cn2)cc1Cl ZINC001458686244 1067109337 /nfs/dbraw/zinc/10/93/37/1067109337.db2.gz MXJBXWVKKUBAOW-UHFFFAOYSA-N 0 0 456.127 4.988 20 0 JJADRN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)c3ccc(Cl)s3)C2=O)ccc1Br ZINC001458686572 1067109370 /nfs/dbraw/zinc/10/93/70/1067109370.db2.gz VBVSEKPGXIOQTP-WFASDCNBSA-N 0 0 455.805 4.888 20 0 JJADRN C[C@H]1CN(c2ccc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)CCO1 ZINC001450711358 1067109315 /nfs/dbraw/zinc/10/93/15/1067109315.db2.gz YLUUIZGTNOUBTK-INIZCTEOSA-N 0 0 457.596 4.519 20 0 JJADRN CCC(CC)[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)OC ZINC001545801572 1067109841 /nfs/dbraw/zinc/10/98/41/1067109841.db2.gz YOANDNKWTHIWIM-DHIUTWEWSA-N 0 0 487.048 4.751 20 0 JJADRN CCC(CC)[C@@H](CCn1c([C@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1)OC ZINC001545801570 1067109949 /nfs/dbraw/zinc/10/99/49/1067109949.db2.gz YNFICZFTPCPCJC-SIKLNZKXSA-N 0 0 491.474 4.949 20 0 JJADRN COc1ccc(CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450719660 1067110046 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/nfs/dbraw/zinc/11/16/46/1067111646.db2.gz JCBWCHKXPQLHMR-GQIGUUNPSA-N 0 0 453.986 4.600 20 0 JJADRN CCC(CC)[C@@H](CCn1c(CC2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)OC ZINC001545803200 1067111934 /nfs/dbraw/zinc/11/19/34/1067111934.db2.gz JNCJXSIUEZAEBI-RJGXRXQPSA-N 0 0 489.705 4.908 20 0 JJADRN CCC(CC)[C@H](CCn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C)OC ZINC001545803206 1067112104 /nfs/dbraw/zinc/11/21/04/1067112104.db2.gz JOICUMBBQAPLCE-RBUKOAKNSA-N 0 0 462.639 4.501 20 0 JJADRN CCC(CC)[C@H](CCn1c(Cc2ccsc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)OC ZINC001545803414 1067112601 /nfs/dbraw/zinc/11/26/01/1067112601.db2.gz NDQIAPOOMQKGHR-VXKWHMMOSA-N 0 0 460.688 4.903 20 0 JJADRN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c1 ZINC001450734707 1067113034 /nfs/dbraw/zinc/11/30/34/1067113034.db2.gz AISKEGWBXWXGPD-UHFFFAOYSA-N 0 0 457.889 4.608 20 0 JJADRN CCC(CC)[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCc2ccc(F)cc2C1)OC ZINC001545803527 1067113406 /nfs/dbraw/zinc/11/34/06/1067113406.db2.gz PHPMMWHEKHXXOP-XMMPIXPASA-N 0 0 451.590 4.807 20 0 JJADRN CC(C)c1n[nH]c(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1Br ZINC001450739105 1067113620 /nfs/dbraw/zinc/11/36/20/1067113620.db2.gz WIPSURHEVYRCHA-UHFFFAOYSA-N 0 0 456.340 4.583 20 0 JJADRN NC(=O)[C@@H](NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccc(F)cc1 ZINC001458714107 1067114251 /nfs/dbraw/zinc/11/42/51/1067114251.db2.gz XPDWGZJUURAFNV-NRFANRHFSA-N 0 0 452.482 4.960 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1)OC ZINC001545803820 1067114642 /nfs/dbraw/zinc/11/46/42/1067114642.db2.gz VKTNZTNNLZUQNJ-DODNOZFWSA-N 0 0 464.695 4.899 20 0 JJADRN CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1)OC ZINC001545803823 1067114654 /nfs/dbraw/zinc/11/46/54/1067114654.db2.gz VKTNZTNNLZUQNJ-LFDQFFAPSA-N 0 0 464.695 4.899 20 0 JJADRN COC(=O)c1nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)sc1C(C)C ZINC001450745217 1067114767 /nfs/dbraw/zinc/11/47/67/1067114767.db2.gz URBXLMOJOKWVCZ-CQSZACIVSA-N 0 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CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCO[C@@H](CCC)C3)ccc2C)cc1 ZINC001545804437 1067116047 /nfs/dbraw/zinc/11/60/47/1067116047.db2.gz OKKFLFQOQVSZRF-QHCPKHFHSA-N 0 0 458.624 4.780 20 0 JJADRN Cc1cccc(-c2noc(SCC(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)c1 ZINC001450750316 1067116358 /nfs/dbraw/zinc/11/63/58/1067116358.db2.gz DOTNCRJSJAKQRL-UHFFFAOYSA-N 0 0 459.453 4.980 20 0 JJADRN COC[C@H](NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC001546025958 1067116947 /nfs/dbraw/zinc/11/69/47/1067116947.db2.gz YBIHLSLXQSPXDH-DEOSSOPVSA-N 0 0 450.579 4.625 20 0 JJADRN COc1ccccc1CN(OC)C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C ZINC001450758299 1067117007 /nfs/dbraw/zinc/11/70/07/1067117007.db2.gz BEYGBVJWOHOIRM-FQEVSTJZSA-N 0 0 457.571 4.700 20 0 JJADRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1oc2ccccc2c1Br ZINC001458722730 1067117611 /nfs/dbraw/zinc/11/76/11/1067117611.db2.gz KLUZGKSYUVLOSQ-QAPCUYQASA-N 0 0 456.336 4.977 20 0 JJADRN COc1ccc(/C=C2\N=C(SCCc3ccns3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458724597 1067118191 /nfs/dbraw/zinc/11/81/91/1067118191.db2.gz HKMYBBNIYBPGII-STZFKDTASA-N 0 0 451.573 4.880 20 0 JJADRN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1sncc1Br ZINC001458724395 1067118239 /nfs/dbraw/zinc/11/82/39/1067118239.db2.gz BSTBKDOYPKMMGY-UHFFFAOYSA-N 0 0 454.415 4.723 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C(=O)OC)CC1 ZINC001546026089 1067118278 /nfs/dbraw/zinc/11/82/78/1067118278.db2.gz CATLQWYLKWJUOW-UHFFFAOYSA-N 0 0 486.613 4.753 20 0 JJADRN CC(=O)OCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCC3 ZINC001458725379 1067118804 /nfs/dbraw/zinc/11/88/04/1067118804.db2.gz FTISGJFMCUJMSX-UHFFFAOYSA-N 0 0 454.495 4.958 20 0 JJADRN C[C@H](C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001450774851 1067118952 /nfs/dbraw/zinc/11/89/52/1067118952.db2.gz KLNSYPHDWYPZAQ-YDHSSHFGSA-N 0 0 455.574 4.765 20 0 JJADRN C[C@H](C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001450774827 1067119069 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456.514 4.967 20 0 JJADRN CC[C@@H](C)[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC ZINC001458729972 1067121664 /nfs/dbraw/zinc/12/16/64/1067121664.db2.gz KBBOHUBPXULNLT-ADLMAVQZSA-N 0 0 452.910 4.997 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001546026223 1067121779 /nfs/dbraw/zinc/12/17/79/1067121779.db2.gz ILFFQEHPUNLHDF-SFHVURJKSA-N 0 0 481.607 4.867 20 0 JJADRN C[C@@H](CCOCc1ccccc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450791352 1067121903 /nfs/dbraw/zinc/12/19/03/1067121903.db2.gz DZSUZRSMXPHKLB-FQEVSTJZSA-N 0 0 458.558 4.637 20 0 JJADRN Cc1cc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)n2)ccc1F ZINC001458730476 1067122838 /nfs/dbraw/zinc/12/28/38/1067122838.db2.gz PKAXLFOUBOOGEZ-UHFFFAOYSA-N 0 0 451.314 4.756 20 0 JJADRN COc1ccc(CC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1OC(F)F ZINC001458731758 1067122903 /nfs/dbraw/zinc/12/29/03/1067122903.db2.gz ZMMXUHKCNJXRSC-KRWDZBQOSA-N 0 0 458.530 4.885 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCO[C@@H](C)C1 ZINC001546026268 1067123332 /nfs/dbraw/zinc/12/33/32/1067123332.db2.gz JTQKNBKSWFAGMJ-KRWDZBQOSA-N 0 0 458.603 4.979 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC001450801361 1067123369 /nfs/dbraw/zinc/12/33/69/1067123369.db2.gz SECUKUDZEUELBD-UHFFFAOYSA-N 0 0 459.384 4.576 20 0 JJADRN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ccc(C(F)F)cc3)C2=O)cc1 ZINC001458733082 1067124073 /nfs/dbraw/zinc/12/40/73/1067124073.db2.gz RXAWVRWMIKISDG-UHFFFAOYSA-N 0 0 452.457 4.637 20 0 JJADRN COc1ccc(/C=C2/N=C(SC[C@@H]3CCC[C@@H](O)C3)N(c3cccc(OC)c3)C2=O)cc1 ZINC001458733604 1067124133 /nfs/dbraw/zinc/12/41/33/1067124133.db2.gz SYIHFZJVPRQVOD-QUIUIQCWSA-N 0 0 452.576 4.732 20 0 JJADRN CC(C)(C)CCOc1cnccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001450805234 1067124287 /nfs/dbraw/zinc/12/42/87/1067124287.db2.gz VDNFNTFQKZWJCV-NRFANRHFSA-N 0 0 455.599 4.649 20 0 JJADRN C[C@@H](c1nnc(SCC[C@@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)N(C)C 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LWDBGQNYPMNWQH-NFBKMPQASA-N 0 0 455.599 4.586 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001546026568 1067127552 /nfs/dbraw/zinc/12/75/52/1067127552.db2.gz SHAQAKJYSAUCDE-OALUTQOASA-N 0 0 453.414 4.951 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Br)cs1 ZINC001546026653 1067128388 /nfs/dbraw/zinc/12/83/88/1067128388.db2.gz WGBPYRGDTCDXRT-UHFFFAOYSA-N 0 0 453.406 4.858 20 0 JJADRN CC(=O)N/C(=C/c1cccs1)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001450833738 1067128405 /nfs/dbraw/zinc/12/84/05/1067128405.db2.gz XKLZMNOQGKJCHK-HDAJJNEKSA-N 0 0 458.381 4.663 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)N1CSCCSC1 ZINC001450833702 1067128411 /nfs/dbraw/zinc/12/84/11/1067128411.db2.gz XDBFWCKLYJARCN-YVEFUNNKSA-N 0 0 454.459 4.510 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC001450835021 1067128719 /nfs/dbraw/zinc/12/87/19/1067128719.db2.gz SHCFODDXTWBQBZ-LUKWVAJMSA-N 0 0 456.627 4.737 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2sccc2Br)C1 ZINC001546103166 1067128800 /nfs/dbraw/zinc/12/88/00/1067128800.db2.gz BWWVDJAYWNDHKA-UHFFFAOYSA-N 0 0 489.443 4.814 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001546103182 1067130387 /nfs/dbraw/zinc/13/03/87/1067130387.db2.gz CCEVDVHSWUXWCE-FPOVZHCZSA-N 0 0 471.621 4.832 20 0 JJADRN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)c1cc(F)ccc1F ZINC001458748986 1067130986 /nfs/dbraw/zinc/13/09/86/1067130986.db2.gz DDADHINXOMPUKU-QGZVFWFLSA-N 0 0 456.562 4.954 20 0 JJADRN Cc1sc(=O)n(CC(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1-c1ccc(F)cc1 ZINC001450842847 1067131093 /nfs/dbraw/zinc/13/10/93/1067131093.db2.gz GJWNXUFFHHGVDX-UHFFFAOYSA-N 0 0 452.507 4.552 20 0 JJADRN C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2Cl)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001450846701 1067131154 /nfs/dbraw/zinc/13/11/54/1067131154.db2.gz XFLXYJWKTCIPQA-HIFRSBDPSA-N 0 0 459.812 4.654 20 0 JJADRN Cc1cccc(-n2c(SCc3csc(CS(C)(=O)=O)n3)nnc2-c2ccccc2)c1 ZINC001458750087 1067131565 /nfs/dbraw/zinc/13/15/65/1067131565.db2.gz FGWHYRXMCYPOFH-UHFFFAOYSA-N 0 0 456.618 4.536 20 0 JJADRN CC[C@@H](C)c1ccc(-n2c(=O)c3cc(Cl)ccc3nc2S[C@@H]2CCN(OC)C2=O)cc1 ZINC001458749841 1067131584 /nfs/dbraw/zinc/13/15/84/1067131584.db2.gz RTOYFUGWFKVKCG-JLTOFOAXSA-N 0 0 457.983 4.807 20 0 JJADRN Cc1ccc(F)c(N2CCC[C@@H](Sc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)C2=O)c1 ZINC001458751510 1067131684 /nfs/dbraw/zinc/13/16/84/1067131684.db2.gz UZUHNVWGIMSLSX-HXUWFJFHSA-N 0 0 453.587 4.692 20 0 JJADRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccnc(OC(C)C)c2)cc1 ZINC001546026769 1067132488 /nfs/dbraw/zinc/13/24/88/1067132488.db2.gz AHKQBZDQHBQKBM-UHFFFAOYSA-N 0 0 456.546 4.589 20 0 JJADRN COc1ccc(Cc2nnc(SCc3cccc4c(Br)cccc34)n2N)cc1 ZINC001458756205 1067132749 /nfs/dbraw/zinc/13/27/49/1067132749.db2.gz VBSYTODEGYJCQS-UHFFFAOYSA-N 0 0 455.381 4.799 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546103290 1067133538 /nfs/dbraw/zinc/13/35/38/1067133538.db2.gz FVKLFHUTCRAZCX-QPPBQGQZSA-N 0 0 487.664 4.931 20 0 JJADRN Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1 ZINC001450881706 1067133673 /nfs/dbraw/zinc/13/36/73/1067133673.db2.gz FAMLBWLZJNQCOY-HXUWFJFHSA-N 0 0 455.509 4.516 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)NCCC2CCC(OC)CC2)s1 ZINC001458763247 1067134086 /nfs/dbraw/zinc/13/40/86/1067134086.db2.gz XWJGHPRXZINZMB-UHFFFAOYSA-N 0 0 453.402 4.906 20 0 JJADRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 ZINC001458762919 1067134105 /nfs/dbraw/zinc/13/41/05/1067134105.db2.gz NYIQCIHFPQPXCB-IVOMFYJKSA-N 0 0 458.599 4.935 20 0 JJADRN CN(C(=O)c1c(F)cccc1I)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458762747 1067134135 /nfs/dbraw/zinc/13/41/35/1067134135.db2.gz NAUCFSRILOAWLL-WMLDXEAASA-N 0 0 457.258 4.562 20 0 JJADRN Cc1nnc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)s1 ZINC001458761486 1067134214 /nfs/dbraw/zinc/13/42/14/1067134214.db2.gz HIXGGMZEIMPDAY-GFCCVEGCSA-N 0 0 459.369 4.661 20 0 JJADRN COc1ccc(CSc2nc3ccccc3c(=O)n2CCCO)cc1SC(F)(F)F ZINC001458764397 1067134762 /nfs/dbraw/zinc/13/47/62/1067134762.db2.gz AOQSJNAESLWILG-UHFFFAOYSA-N 0 0 456.511 4.692 20 0 JJADRN CC(C)c1ccc(C[C@H](C)NC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 ZINC001545808539 1067135067 /nfs/dbraw/zinc/13/50/67/1067135067.db2.gz BKIDTXYTLCRAIK-DCFHFQCYSA-N 0 0 458.643 4.790 20 0 JJADRN Cc1nnc([C@@H](C)NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)s1 ZINC001458765969 1067135371 /nfs/dbraw/zinc/13/53/71/1067135371.db2.gz VFPDOXCAOQYKRC-PIGZYNQJSA-N 0 0 450.333 4.746 20 0 JJADRN COc1ccc(C(=O)c2c(NC(=O)C[C@H](C)Cc3ccc(Cl)cc3)nc3n2CCC3)cc1 ZINC001458766983 1067135941 /nfs/dbraw/zinc/13/59/41/1067135941.db2.gz ABGUFZULODGZGO-MRXNPFEDSA-N 0 0 451.954 4.930 20 0 JJADRN CCOc1ccc(-c2noc(CCC(=O)OCc3ccc(C(=O)OC(C)(C)C)cc3)n2)cc1 ZINC001458768191 1067135987 /nfs/dbraw/zinc/13/59/87/1067135987.db2.gz NGEOQWUSDNVBQB-UHFFFAOYSA-N 0 0 452.507 4.767 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC001450949301 1067136717 /nfs/dbraw/zinc/13/67/17/1067136717.db2.gz QUXJSSKPHPMMGY-UHFFFAOYSA-N 0 0 458.382 4.744 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)NC3(CC(=O)OC(C)(C)C)CCCCC3)n2)cc1 ZINC001450941899 1067136803 /nfs/dbraw/zinc/13/68/03/1067136803.db2.gz FTEPPTPUZFNBPW-UHFFFAOYSA-N 0 0 457.571 4.619 20 0 JJADRN COC(=O)C1(NC(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc32)CCCCC1 ZINC001458768950 1067136785 /nfs/dbraw/zinc/13/67/85/1067136785.db2.gz KUIRWXNHDYRILT-UHFFFAOYSA-N 0 0 459.568 4.582 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC3(Cc4ccccc4)CCCC3)c2)C1 ZINC001458769156 1067136796 /nfs/dbraw/zinc/13/67/96/1067136796.db2.gz UDSFELBCLOWTQT-OYRHEFFESA-N 0 0 454.636 4.639 20 0 JJADRN CC(C)(C)OC(=O)CC1(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CCOCC1 ZINC001450949157 1067136859 /nfs/dbraw/zinc/13/68/59/1067136859.db2.gz QBNTYECCXQUKRU-UHFFFAOYSA-N 0 0 454.498 4.645 20 0 JJADRN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C(F)F)c2Cl)cc1 ZINC001458770326 1067137197 /nfs/dbraw/zinc/13/71/97/1067137197.db2.gz JUEZBPJGUMOWIS-UHFFFAOYSA-N 0 0 458.914 4.520 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001546027611 1067137390 /nfs/dbraw/zinc/13/73/90/1067137390.db2.gz GACSVLSNUBBXAS-HXUWFJFHSA-N 0 0 484.563 4.689 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 ZINC001546027576 1067137492 /nfs/dbraw/zinc/13/74/92/1067137492.db2.gz DPECOUGWWCESBJ-IBGZPJMESA-N 0 0 454.571 4.756 20 0 JJADRN Cc1ccccc1-n1c(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 ZINC001458770936 1067137717 /nfs/dbraw/zinc/13/77/17/1067137717.db2.gz OYZXFEWYVXHJKG-SFHVURJKSA-N 0 0 451.596 4.987 20 0 JJADRN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001450987065 1067137857 /nfs/dbraw/zinc/13/78/57/1067137857.db2.gz QXEPRPHLGMCFDR-GCJKJVERSA-N 0 0 455.521 4.977 20 0 JJADRN COC(=O)c1sc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)nc1C1CCCC1 ZINC001458771966 1067138561 /nfs/dbraw/zinc/13/85/61/1067138561.db2.gz NJODLUGZCQWLRW-UHFFFAOYSA-N 0 0 457.596 4.643 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)SC)C1 ZINC001546103363 1067138587 /nfs/dbraw/zinc/13/85/87/1067138587.db2.gz IGKVTISZMMXADM-INIZCTEOSA-N 0 0 450.052 4.630 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001546027971 1067138690 /nfs/dbraw/zinc/13/86/90/1067138690.db2.gz RQBUDQUEEKTNOH-JOCHJYFZSA-N 0 0 476.687 4.870 20 0 JJADRN COC(=O)c1ccc2c(c1)nc(SCCOC1CCC1)n(Cc1ccccc1Cl)c2=O ZINC001458772449 1067138950 /nfs/dbraw/zinc/13/89/50/1067138950.db2.gz SAZUOSFOLRGCJX-UHFFFAOYSA-N 0 0 458.967 4.546 20 0 JJADRN COC(=O)/C=C(\C)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1 ZINC001458773452 1067138967 /nfs/dbraw/zinc/13/89/67/1067138967.db2.gz VBXGBHHXBKHVSV-FOWTUZBSSA-N 0 0 458.580 4.516 20 0 JJADRN COCCn1c(SCc2cc(Br)cc3cccnc32)nnc1-c1ccncc1 ZINC001458773233 1067138975 /nfs/dbraw/zinc/13/89/75/1067138975.db2.gz UIXFGNPRLZLEBZ-UHFFFAOYSA-N 0 0 456.369 4.590 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2cccs2)CC1 ZINC001546028063 1067139254 /nfs/dbraw/zinc/13/92/54/1067139254.db2.gz VIUNZRFIRNFFMZ-UHFFFAOYSA-N 0 0 499.681 4.680 20 0 JJADRN Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCC[C@H]3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC001451005852 1067139276 /nfs/dbraw/zinc/13/92/76/1067139276.db2.gz MROXRRCSIRLRMC-FGZHOGPDSA-N 0 0 464.635 4.662 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)OC1CCCC1 ZINC001546028023 1067139310 /nfs/dbraw/zinc/13/93/10/1067139310.db2.gz TXOJLEQCWYBRSD-UHFFFAOYSA-N 0 0 467.408 4.578 20 0 JJADRN COC(=O)c1sc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)nc1C1CCCC1 ZINC001458773819 1067139560 /nfs/dbraw/zinc/13/95/60/1067139560.db2.gz RCHSVHWPMBYURH-UHFFFAOYSA-N 0 0 455.580 4.646 20 0 JJADRN CCC(C)(C)OCCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001451012728 1067139820 /nfs/dbraw/zinc/13/98/20/1067139820.db2.gz ZAUMVYUJQAINAR-OAQYLSRUSA-N 0 0 457.409 4.510 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001451025251 1067139859 /nfs/dbraw/zinc/13/98/59/1067139859.db2.gz CBDZHUHXRADHAE-OAHLLOKOSA-N 0 0 459.359 4.529 20 0 JJADRN COC(=O)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(Cl)c1 ZINC001458775164 1067140069 /nfs/dbraw/zinc/14/00/69/1067140069.db2.gz JSIVYHLGVAVGFY-LBPRGKRZSA-N 0 0 450.347 4.772 20 0 JJADRN CCC(C)(C)NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)C(C)C ZINC001458775894 1067140668 /nfs/dbraw/zinc/14/06/68/1067140668.db2.gz MUHNDTKLDBCJHX-NRFANRHFSA-N 0 0 453.608 4.816 20 0 JJADRN O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C1(c2cccc(F)c2)CCCC1 ZINC001451032132 1067141111 /nfs/dbraw/zinc/14/11/11/1067141111.db2.gz OHHLXVHWUJZULY-INIZCTEOSA-N 0 0 452.339 4.507 20 0 JJADRN O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1(c2cccc(F)c2)CCCC1 ZINC001451032137 1067141280 /nfs/dbraw/zinc/14/12/80/1067141280.db2.gz OHHLXVHWUJZULY-MRXNPFEDSA-N 0 0 452.339 4.507 20 0 JJADRN COc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1Cl ZINC001458777246 1067141848 /nfs/dbraw/zinc/14/18/48/1067141848.db2.gz SERXMPAHAPBFOO-HOCLYGCPSA-N 0 0 458.967 4.601 20 0 JJADRN COC(=O)c1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC001458777413 1067141924 /nfs/dbraw/zinc/14/19/24/1067141924.db2.gz DQJHVPYINMSOKY-UHFFFAOYSA-N 0 0 459.527 4.705 20 0 JJADRN COC(=O)c1ccc(OC)c(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC001458777827 1067142360 /nfs/dbraw/zinc/14/23/60/1067142360.db2.gz KBHFXZFZRDDALI-UHFFFAOYSA-N 0 0 450.491 4.612 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001546028152 1067142625 /nfs/dbraw/zinc/14/26/25/1067142625.db2.gz YZBPIPMIMGIVQJ-SFHVURJKSA-N 0 0 477.447 4.512 20 0 JJADRN CCC(O)(CC)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001546028151 1067142740 /nfs/dbraw/zinc/14/27/40/1067142740.db2.gz YZBPIPMIMGIVQJ-GOSISDBHSA-N 0 0 477.447 4.512 20 0 JJADRN O=c1c2ccccc2nc(SCc2ccccc2OCC(F)(F)F)n1C[C@@H]1CCCO1 ZINC001458780329 1067142951 /nfs/dbraw/zinc/14/29/51/1067142951.db2.gz ZKJXJPGUMQISLV-INIZCTEOSA-N 0 0 450.482 4.809 20 0 JJADRN CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 ZINC001451049069 1067143145 /nfs/dbraw/zinc/14/31/45/1067143145.db2.gz IKRUEXQWDABQJW-QFIPXVFZSA-N 0 0 452.599 4.946 20 0 JJADRN CC[C@@H](C)CC[C@H](O)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451048747 1067143191 /nfs/dbraw/zinc/14/31/91/1067143191.db2.gz PYXRCJLHXXTRLW-KDXIVRHGSA-N 0 0 450.595 4.612 20 0 JJADRN CN1CCC[C@H]1c1cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC001451050467 1067143992 /nfs/dbraw/zinc/14/39/92/1067143992.db2.gz WARUUXPYJRRVSX-QFIPXVFZSA-N 0 0 453.587 4.543 20 0 JJADRN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(C)cc3Br)CC2=O)cc1 ZINC001458780765 1067144189 /nfs/dbraw/zinc/14/41/89/1067144189.db2.gz KBTNZWHAUHRGFM-ZDUSSCGKSA-N 0 0 451.748 4.801 20 0 JJADRN Cc1ccccc1-n1c(SCCCS(=O)(=O)c2ccccc2)nc2ccccc2c1=O ZINC001458781143 1067144209 /nfs/dbraw/zinc/14/42/09/1067144209.db2.gz QMLQPBXKIKOUAU-UHFFFAOYSA-N 0 0 450.585 4.650 20 0 JJADRN CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)Cc1cc(Br)ccc1C ZINC001451087006 1067145071 /nfs/dbraw/zinc/14/50/71/1067145071.db2.gz HGFIEQSZLRJATJ-UHFFFAOYSA-N 0 0 454.412 4.986 20 0 JJADRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCC(=O)c1ccc(C)cc1C ZINC001458783693 1067145291 /nfs/dbraw/zinc/14/52/91/1067145291.db2.gz SPIJGSPXUWLYKS-UHFFFAOYSA-N 0 0 459.637 4.679 20 0 JJADRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001545816390 1067146138 /nfs/dbraw/zinc/14/61/38/1067146138.db2.gz ISGKVOYNAYLIGH-UHFFFAOYSA-N 0 0 454.636 4.511 20 0 JJADRN CCc1nc(C)c(C(=O)Oc2ccc(I)c(Br)c2)s1 ZINC001458786331 1067146501 /nfs/dbraw/zinc/14/65/01/1067146501.db2.gz YMOXEINCZOZPMZ-UHFFFAOYSA-N 0 0 452.111 4.600 20 0 JJADRN CCOC(=O)C(C)(C)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 ZINC001458786524 1067146510 /nfs/dbraw/zinc/14/65/10/1067146510.db2.gz UGUZMEPIXHXHPX-UHFFFAOYSA-N 0 0 453.564 4.584 20 0 JJADRN CCC1(CC)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2C)C1 ZINC001546103815 1067147914 /nfs/dbraw/zinc/14/79/14/1067147914.db2.gz XRLSWUFVWPRDJG-UHFFFAOYSA-N 0 0 452.990 4.952 20 0 JJADRN Cc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)c1 ZINC001458790144 1067148042 /nfs/dbraw/zinc/14/80/42/1067148042.db2.gz BURZVYCWKVNXRP-UHFFFAOYSA-N 0 0 457.599 4.746 20 0 JJADRN Cc1ccccc1C1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC001458791164 1067148742 /nfs/dbraw/zinc/14/87/42/1067148742.db2.gz WARDBZMBDPRHOW-BGYRXZFFSA-N 0 0 454.636 4.681 20 0 JJADRN COCCN(CC(=O)Nc1ccc(Br)c(Cl)c1Cl)C(=O)OC(C)(C)C ZINC001458795374 1067149336 /nfs/dbraw/zinc/14/93/36/1067149336.db2.gz BPMSUPSYWQENPE-UHFFFAOYSA-N 0 0 456.164 4.578 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)CCc3ccccc3OC(F)(F)F)C[C@H]2C1 ZINC001451141519 1067149384 /nfs/dbraw/zinc/14/93/84/1067149384.db2.gz PIVGGHPQDGMWMP-OKZBNKHCSA-N 0 0 456.505 4.670 20 0 JJADRN COC(=O)c1ccc(Br)c(Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 ZINC001458799427 1067149901 /nfs/dbraw/zinc/14/99/01/1067149901.db2.gz ZDBBKKJGVORMSM-UHFFFAOYSA-N 0 0 455.333 4.722 20 0 JJADRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1n[nH]c(=O)n1C[C@H]1CCCO1 ZINC001458795826 1067150035 /nfs/dbraw/zinc/15/00/35/1067150035.db2.gz XUTVUMBQCUTMNA-CQSZACIVSA-N 0 0 456.515 4.906 20 0 JJADRN Cc1ccc(-n2c(S[C@@H](Cc3ccc(F)cc3)C(N)=O)nnc2-c2ccccc2F)cc1 ZINC001458803128 1067150473 /nfs/dbraw/zinc/15/04/73/1067150473.db2.gz YYKFXHGYIMUWNB-NRFANRHFSA-N 0 0 450.514 4.710 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)c3cc4cccc(Cl)c4nc3C)nc12 ZINC001458806609 1067150511 /nfs/dbraw/zinc/15/05/11/1067150511.db2.gz BQCPIDNGEOQKIL-UHFFFAOYSA-N 0 0 457.759 4.888 20 0 JJADRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)o2)cc1 ZINC001451150852 1067150578 /nfs/dbraw/zinc/15/05/78/1067150578.db2.gz YXUCFSZMUBZHJA-QHAWAJNXSA-N 0 0 452.551 4.915 20 0 JJADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)CCCc3cccnc3)ccc2C)c1 ZINC001451151651 1067150659 /nfs/dbraw/zinc/15/06/59/1067150659.db2.gz QQNGBCMHLWQIQU-FQEVSTJZSA-N 0 0 451.592 4.640 20 0 JJADRN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)s1 ZINC001458812309 1067151817 /nfs/dbraw/zinc/15/18/17/1067151817.db2.gz MEXFTGWNEMEPGG-UHFFFAOYSA-N 0 0 452.557 4.594 20 0 JJADRN CCc1c(C)nn(-c2cccc(C(=O)N(CCOC)c3cccc(Br)n3)c2)c1C ZINC001458811825 1067151952 /nfs/dbraw/zinc/15/19/52/1067151952.db2.gz DUCCVEJKHDVCNF-UHFFFAOYSA-N 0 0 457.372 4.502 20 0 JJADRN COCCN(C(=O)Cc1sc(C)nc1-c1cccs1)c1cccc(Br)n1 ZINC001458813907 1067152630 /nfs/dbraw/zinc/15/26/30/1067152630.db2.gz HZJXSAZKKQHIQY-UHFFFAOYSA-N 0 0 452.399 4.560 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c(Cl)c1 ZINC001451198498 1067153360 /nfs/dbraw/zinc/15/33/60/1067153360.db2.gz RWOBWBXKHPWEHI-WBVHZDCISA-N 0 0 452.960 4.752 20 0 JJADRN Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc12 ZINC001458817041 1067153803 /nfs/dbraw/zinc/15/38/03/1067153803.db2.gz UIIYNFNAKMTCPA-RYGJVYDSSA-N 0 0 450.421 4.541 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCc1ccccc1-c1ncc[nH]1)N2C(=O)OC(C)(C)C ZINC001451202345 1067153889 /nfs/dbraw/zinc/15/38/89/1067153889.db2.gz FHPBOAFBPMYIRX-OAQYLSRUSA-N 0 0 450.514 4.507 20 0 JJADRN CC[C@@H](C(=O)N(CCOC)c1cccc(Br)n1)c1ccc(Br)cc1 ZINC001458819269 1067154886 /nfs/dbraw/zinc/15/48/86/1067154886.db2.gz SNNPPGANLOZNSY-OAHLLOKOSA-N 0 0 456.178 4.780 20 0 JJADRN CC(C)Oc1cccc(CNC(=O)COc2ccc(Br)cc2Br)c1 ZINC001458820219 1067155399 /nfs/dbraw/zinc/15/53/99/1067155399.db2.gz VWLXDCSCVVQVAI-UHFFFAOYSA-N 0 0 457.162 4.694 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)Cc1ccccc1Cl ZINC001458820633 1067155502 /nfs/dbraw/zinc/15/55/02/1067155502.db2.gz OENJPTAKEZWYRX-KOSHJBKYSA-N 0 0 451.998 4.980 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)CCOCC1 ZINC001458820565 1067155564 /nfs/dbraw/zinc/15/55/64/1067155564.db2.gz XGAUQPLURYVNER-UHFFFAOYSA-N 0 0 453.507 4.660 20 0 JJADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC001451246344 1067155621 /nfs/dbraw/zinc/15/56/21/1067155621.db2.gz NWHAJENSTCNHGM-QHCPKHFHSA-N 0 0 458.549 4.669 20 0 JJADRN Cc1ccsc1C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 ZINC001451248426 1067155629 /nfs/dbraw/zinc/15/56/29/1067155629.db2.gz QTALYJXZFNRSRD-UHFFFAOYSA-N 0 0 458.628 4.914 20 0 JJADRN COC(=O)/C=C/c1ccc(OCCOc2ccc(Br)cc2Br)cc1 ZINC001458820871 1067156289 /nfs/dbraw/zinc/15/62/89/1067156289.db2.gz ZGNHMCUYLQKHAK-RUDMXATFSA-N 0 0 456.130 4.856 20 0 JJADRN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccn1 ZINC001458822548 1067156454 /nfs/dbraw/zinc/15/64/54/1067156454.db2.gz HVGASGXLUYJKHE-UHFFFAOYSA-N 0 0 457.342 4.818 20 0 JJADRN CC(C)[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC001458822584 1067156623 /nfs/dbraw/zinc/15/66/23/1067156623.db2.gz CTIYEABTJMXMHU-MRXNPFEDSA-N 0 0 455.649 4.638 20 0 JJADRN Cc1ccc(-c2noc(CCC(=O)Nc3cnc(Cl)c(Br)c3C)n2)cc1F ZINC001458822222 1067156636 /nfs/dbraw/zinc/15/66/36/1067156636.db2.gz AEAUAYXXTMEYTR-UHFFFAOYSA-N 0 0 453.699 4.875 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC001546029791 1067157083 /nfs/dbraw/zinc/15/70/83/1067157083.db2.gz QSDKCFWTFGUCGB-IBGZPJMESA-N 0 0 454.644 4.855 20 0 JJADRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1nn(-c2ccccc2)c2c1CCC2 ZINC001458823035 1067157206 /nfs/dbraw/zinc/15/72/06/1067157206.db2.gz TYBKABZDZPETIK-IBGZPJMESA-N 0 0 451.395 4.996 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 ZINC001451302154 1067158492 /nfs/dbraw/zinc/15/84/92/1067158492.db2.gz KFOHJDZAUJXITG-KOSHJBKYSA-N 0 0 450.510 4.549 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 ZINC001451313615 1067159399 /nfs/dbraw/zinc/15/93/99/1067159399.db2.gz SYDQEJZECHEVPB-VLIAUNLRSA-N 0 0 450.938 4.801 20 0 JJADRN COC(=O)c1cncc(CSc2nc3sc4c(c3c(=O)n2CC(C)C)CC[C@@H](C)C4)c1 ZINC001458826867 1067159782 /nfs/dbraw/zinc/15/97/82/1067159782.db2.gz QGNWRULWRHCHAS-CQSZACIVSA-N 0 0 457.621 4.713 20 0 JJADRN Cc1cccc(C)c1OCc1nnc(SCCCS(=O)(=O)C(C)C)n1-c1ccccc1 ZINC001458827846 1067160344 /nfs/dbraw/zinc/16/03/44/1067160344.db2.gz UQABHEVUEHMBPA-UHFFFAOYSA-N 0 0 459.637 4.769 20 0 JJADRN Cn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC001458827941 1067160378 /nfs/dbraw/zinc/16/03/78/1067160378.db2.gz PASBAVLRTVGOIH-IBGZPJMESA-N 0 0 454.552 4.967 20 0 JJADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H]2CC=CCC2)on1 ZINC001545821392 1067161225 /nfs/dbraw/zinc/16/12/25/1067161225.db2.gz CAIJTAZJEJYDHH-SFHVURJKSA-N 0 0 463.586 4.658 20 0 JJADRN CCC(CC)c1cc(Cn2c(C)nnc2N2CCN(Cc3csc(C(C)(C)C)n3)CC2)on1 ZINC001545821486 1067161265 /nfs/dbraw/zinc/16/12/65/1067161265.db2.gz DWVRECUZRBDJCF-UHFFFAOYSA-N 0 0 471.675 4.603 20 0 JJADRN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)cc1OCC ZINC001451375573 1067161429 /nfs/dbraw/zinc/16/14/29/1067161429.db2.gz FDTANHIJTAKVOL-GHTZIAJQSA-N 0 0 458.986 4.710 20 0 JJADRN CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCC[C@@]3(CCSC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001451377721 1067161723 /nfs/dbraw/zinc/16/17/23/1067161723.db2.gz JRWZAXHSKJVTLI-LERMDLETSA-N 0 0 453.023 4.913 20 0 JJADRN Cc1csc(CNc2cccc(C(=O)N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)c2)n1 ZINC001451380769 1067161766 /nfs/dbraw/zinc/16/17/66/1067161766.db2.gz SSVHWZPJIANLIH-LEWJYISDSA-N 0 0 474.552 4.824 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C1(c2ccc(F)cc2F)CCCC1 ZINC001451378140 1067161779 /nfs/dbraw/zinc/16/17/79/1067161779.db2.gz LKBFSKKLPDDNOM-GHTZIAJQSA-N 0 0 452.467 4.923 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1oc2ccccc2c1CSc1cccs1)[C@H]1CCCOC1 ZINC001458833477 1067161867 /nfs/dbraw/zinc/16/18/67/1067161867.db2.gz BRAUXKFLLMKSGP-MGPUTAFESA-N 0 0 459.589 4.875 20 0 JJADRN Cc1cc2c(cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)OCO2 ZINC001458832417 1067161875 /nfs/dbraw/zinc/16/18/75/1067161875.db2.gz BGEHKEUXBSYWGI-MQSCRBSSSA-N 0 0 450.579 4.852 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)ncc2Cl)C[C@H]1c1cccc(F)c1 ZINC001451387552 1067163054 /nfs/dbraw/zinc/16/30/54/1067163054.db2.gz GSWPBRNUOANTRU-DOTOQJQBSA-N 0 0 454.329 4.660 20 0 JJADRN CC[C@H](Oc1cccc(C)c1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451387477 1067163072 /nfs/dbraw/zinc/16/30/72/1067163072.db2.gz GHBWPACUDNHBNK-ZRBLBEILSA-N 0 0 456.558 4.811 20 0 JJADRN Cc1cc(NC(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)cc(F)c1Br ZINC001451390259 1067163145 /nfs/dbraw/zinc/16/31/45/1067163145.db2.gz FHGAVBYARCMMPF-UHFFFAOYSA-N 0 0 458.353 4.559 20 0 JJADRN CSc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C(C)=O)C3)co1 ZINC001458835095 1067163534 /nfs/dbraw/zinc/16/35/34/1067163534.db2.gz JCMMKPZUSNCNEG-UHFFFAOYSA-N 0 0 454.573 4.759 20 0 JJADRN COc1ccc(COCC(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)cc1 ZINC001458835072 1067163616 /nfs/dbraw/zinc/16/36/16/1067163616.db2.gz ITWCWYSRWVVFFC-UHFFFAOYSA-N 0 0 451.544 4.524 20 0 JJADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001451392014 1067163610 /nfs/dbraw/zinc/16/36/10/1067163610.db2.gz OAFQHNVIEVZEPR-YMPRXVIZSA-N 0 0 481.568 4.553 20 0 JJADRN CCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001451393918 1067163731 /nfs/dbraw/zinc/16/37/31/1067163731.db2.gz RQRNDDUVNLGMCM-RBBKRZOGSA-N 0 0 451.542 4.933 20 0 JJADRN COC(=O)NCCCC(=O)Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC001458836316 1067164172 /nfs/dbraw/zinc/16/41/72/1067164172.db2.gz YMUOQQRHERZPGB-UHFFFAOYSA-N 0 0 454.470 4.561 20 0 JJADRN CC(C)(C)OC(=O)N(CC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC001545822658 1067164253 /nfs/dbraw/zinc/16/42/53/1067164253.db2.gz LIBCTNOWKBUUMO-UHFFFAOYSA-N 0 0 459.546 4.997 20 0 JJADRN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001458836473 1067164893 /nfs/dbraw/zinc/16/48/93/1067164893.db2.gz PQQWUBFTJONIQS-LIRRHRJNSA-N 0 0 450.482 4.905 20 0 JJADRN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC001451398472 1067164940 /nfs/dbraw/zinc/16/49/40/1067164940.db2.gz IBTDSXUJUAIXMS-UAGQMJEPSA-N 0 0 459.331 4.641 20 0 JJADRN CC(C)n1c(=O)c2ccccc2nc1S[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001458836417 1067164950 /nfs/dbraw/zinc/16/49/50/1067164950.db2.gz NVVXZPOKFSBCES-SFHVURJKSA-N 0 0 458.381 4.638 20 0 JJADRN CC(C)n1c(=O)c2ccccc2nc1S[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001458836414 1067164977 /nfs/dbraw/zinc/16/49/77/1067164977.db2.gz NVVXZPOKFSBCES-GOSISDBHSA-N 0 0 458.381 4.638 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)on1 ZINC001545823205 1067165600 /nfs/dbraw/zinc/16/56/00/1067165600.db2.gz DNMXQLPEFWGETA-RUZDIDTESA-N 0 0 452.603 4.921 20 0 JJADRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001451403181 1067165624 /nfs/dbraw/zinc/16/56/24/1067165624.db2.gz QKHQPVZJHSZZSV-IIBYNOLFSA-N 0 0 451.542 4.904 20 0 JJADRN Cn1cc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)c(-c2ccccc2)n1 ZINC001458838472 1067166167 /nfs/dbraw/zinc/16/61/67/1067166167.db2.gz DUVATRNKFUGAIM-UHFFFAOYSA-N 0 0 454.958 4.946 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)NC[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC001451408434 1067166351 /nfs/dbraw/zinc/16/63/51/1067166351.db2.gz FXMYCGMGEMXNOM-FYYLOGMGSA-N 0 0 454.364 4.981 20 0 JJADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](O)c1ccccc1Br ZINC001451409773 1067166728 /nfs/dbraw/zinc/16/67/28/1067166728.db2.gz KIMJPEDBNRNKCB-BZNIZROVSA-N 0 0 459.203 4.542 20 0 JJADRN COC(=O)Cc1ccc(OC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)c(F)c1 ZINC001458839785 1067166745 /nfs/dbraw/zinc/16/67/45/1067166745.db2.gz PEAQOQZOWVSHMG-UHFFFAOYSA-N 0 0 453.413 4.827 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cccc(Cl)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)on1 ZINC001545823467 1067166840 /nfs/dbraw/zinc/16/68/40/1067166840.db2.gz NIEMXQMQQNJCKY-LJQANCHMSA-N 0 0 492.045 4.552 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1 ZINC001545823418 1067166850 /nfs/dbraw/zinc/16/68/50/1067166850.db2.gz MAEMHOVMGONAEX-SFHVURJKSA-N 0 0 495.628 4.726 20 0 JJADRN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451410092 1067167382 /nfs/dbraw/zinc/16/73/82/1067167382.db2.gz JOWIEAMSOPWIFV-RBBKRZOGSA-N 0 0 478.568 4.966 20 0 JJADRN COC(=O)CCSc1ncccc1NC(=O)c1cc2cc(Br)ccc2s1 ZINC001458840542 1067167502 /nfs/dbraw/zinc/16/75/02/1067167502.db2.gz HSXNCZTTZZZJIH-UHFFFAOYSA-N 0 0 451.367 4.966 20 0 JJADRN O=C([C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCC(Oc2cccc(Br)c2)CC1 ZINC001458841049 1067167549 /nfs/dbraw/zinc/16/75/49/1067167549.db2.gz RELQQRMVVYFBHJ-NVXWUHKLSA-N 0 0 450.295 4.567 20 0 JJADRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cc(C(F)F)ccc3F)c2C)c1 ZINC001458841194 1067167563 /nfs/dbraw/zinc/16/75/63/1067167563.db2.gz XWEWWRZRYKPNOF-NRFANRHFSA-N 0 0 459.468 4.788 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)on1 ZINC001545823580 1067167507 /nfs/dbraw/zinc/16/75/07/1067167507.db2.gz QVENZWQIWBZULT-UHFFFAOYSA-N 0 0 453.587 4.720 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](OC)C2)on1 ZINC001545823744 1067168123 /nfs/dbraw/zinc/16/81/23/1067168123.db2.gz XDOARMWSCSZBOX-LJQANCHMSA-N 0 0 469.586 4.517 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)c(N)c2Cl)C[C@H]1c1ccccc1F ZINC001451411997 1067168235 /nfs/dbraw/zinc/16/82/35/1067168235.db2.gz OLDKRMVZEMYALK-WMLDXEAASA-N 0 0 468.356 4.848 20 0 JJADRN COc1cc(C(=O)NCc2cn(C)nc2-c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC001458842173 1067168230 /nfs/dbraw/zinc/16/82/30/1067168230.db2.gz MPKCAROGSQKZLI-UHFFFAOYSA-N 0 0 457.530 4.613 20 0 JJADRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)/C=C\c2ccnc(Cl)c2)CN(C)CC3)cc1 ZINC001458841531 1067168277 /nfs/dbraw/zinc/16/82/77/1067168277.db2.gz ZIEKVZLLKXFCCF-YVMONPNESA-N 0 0 451.979 4.976 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)on1 ZINC001545824510 1067168517 /nfs/dbraw/zinc/16/85/17/1067168517.db2.gz ANJCTQWGQWUTTD-AREMUKBSSA-N 0 0 466.630 4.845 20 0 JJADRN CCC(CC)c1cc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC001545823810 1067168535 /nfs/dbraw/zinc/16/85/35/1067168535.db2.gz ZTTMVZQJECAHGN-VGOFRKELSA-N 0 0 495.628 4.629 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001451413587 1067169323 /nfs/dbraw/zinc/16/93/23/1067169323.db2.gz WLTMRLBDPAOTTM-OUPRXKBMSA-N 0 0 468.569 4.601 20 0 JJADRN COc1cccc(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1Cl ZINC001451413079 1067169334 /nfs/dbraw/zinc/16/93/34/1067169334.db2.gz UJOGSDDTVKOMEV-PKOBYXMFSA-N 0 0 462.949 4.550 20 0 JJADRN Cn1cc(CNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c(-c2ccccc2)n1 ZINC001458843308 1067169301 /nfs/dbraw/zinc/16/93/01/1067169301.db2.gz NHMMAZPQRYTNKY-ZEYPLWLESA-N 0 0 452.599 4.519 20 0 JJADRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC001458843545 1067169355 /nfs/dbraw/zinc/16/93/55/1067169355.db2.gz ODNGJPRDGJKIPY-GJZGRUSLSA-N 0 0 450.486 4.809 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H]2CCCOC2)on1 ZINC001545824786 1067169846 /nfs/dbraw/zinc/16/98/46/1067169846.db2.gz JQJORYUDQIUEAC-QGZVFWFLSA-N 0 0 473.568 4.950 20 0 JJADRN CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001451424109 1067169900 /nfs/dbraw/zinc/16/99/00/1067169900.db2.gz JZIXQQACGXNFKO-WOJBJXKFSA-N 0 0 470.513 4.584 20 0 JJADRN Cc1cc(C)c(CC(=O)NC[C@H](O)c2ccccc2Br)c(C)c1Br ZINC001451425098 1067169935 /nfs/dbraw/zinc/16/99/35/1067169935.db2.gz VGLJNEHWCSPVAG-KRWDZBQOSA-N 0 0 455.190 4.529 20 0 JJADRN Cc1cc(C)c(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c(C)c1Br ZINC001451417567 1067170004 /nfs/dbraw/zinc/17/00/04/1067170004.db2.gz YGDIXBNTLYPFET-INIZCTEOSA-N 0 0 455.190 4.942 20 0 JJADRN CCC(CC)c1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC=C(COC)CC2)on1 ZINC001545824835 1067170496 /nfs/dbraw/zinc/17/04/96/1067170496.db2.gz LGONISMXXNQZSY-UHFFFAOYSA-N 0 0 471.552 4.870 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)C1 ZINC001451430641 1067170653 /nfs/dbraw/zinc/17/06/53/1067170653.db2.gz BSWXQZKLJRSZLN-OFNKIYASSA-N 0 0 453.583 4.606 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)C1 ZINC001451430645 1067170663 /nfs/dbraw/zinc/17/06/63/1067170663.db2.gz BSWXQZKLJRSZLN-REWPJTCUSA-N 0 0 453.583 4.606 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N(C)C2CCC3(CC2)OCCO3)on1 ZINC001545825006 1067170539 /nfs/dbraw/zinc/17/05/39/1067170539.db2.gz PQXHVGZNIBXYFC-UHFFFAOYSA-N 0 0 459.635 4.929 20 0 JJADRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC001451426912 1067170675 /nfs/dbraw/zinc/17/06/75/1067170675.db2.gz UTERPXUJRQVZOB-QFIPXVFZSA-N 0 0 458.580 4.651 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)on1 ZINC001545825098 1067171201 /nfs/dbraw/zinc/17/12/01/1067171201.db2.gz RZJNBBQDPYWBMQ-UHFFFAOYSA-N 0 0 478.641 4.769 20 0 JJADRN CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)on1 ZINC001545825231 1067171649 /nfs/dbraw/zinc/17/16/49/1067171649.db2.gz WLTOAVVKCBRLRT-GOSISDBHSA-N 0 0 453.635 4.609 20 0 JJADRN CC(C)(C)c1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)cc1 ZINC001458849643 1067171697 /nfs/dbraw/zinc/17/16/97/1067171697.db2.gz BSOWBEJXJJPWJY-UHFFFAOYSA-N 0 0 450.395 4.994 20 0 JJADRN Cc1cc(C)c(CNC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)cn1 ZINC001451438623 1067171985 /nfs/dbraw/zinc/17/19/85/1067171985.db2.gz HLDRGPSXOBXHJN-UHFFFAOYSA-N 0 0 458.381 4.634 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001451434822 1067172018 /nfs/dbraw/zinc/17/20/18/1067172018.db2.gz WVXFECQQMIIVKZ-OALUTQOASA-N 0 0 456.505 4.630 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cnc3ccccc3c1)n2CC ZINC001458851580 1067172563 /nfs/dbraw/zinc/17/25/63/1067172563.db2.gz ILUPVVHCMWZATB-UHFFFAOYSA-N 0 0 454.621 4.927 20 0 JJADRN CCC(CC)c1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2cnn(C)c2C)on1 ZINC001545826097 1067172697 /nfs/dbraw/zinc/17/26/97/1067172697.db2.gz FRKLNRSFVKLGIC-FYYLOGMGSA-N 0 0 483.661 4.815 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCC[C@H]3C3CC3)c2)cc1 ZINC001451463094 1067173226 /nfs/dbraw/zinc/17/32/26/1067173226.db2.gz NFOFVQHNTXXGQP-XXBNENTESA-N 0 0 456.608 4.751 20 0 JJADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001546031358 1067173283 /nfs/dbraw/zinc/17/32/83/1067173283.db2.gz DZYOFRKYBVKNAH-JOCHJYFZSA-N 0 0 465.598 4.558 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@H]1CCCc2cccnc21 ZINC001545826252 1067173509 /nfs/dbraw/zinc/17/35/09/1067173509.db2.gz JAMMPLONDZPHDQ-DENIHFKCSA-N 0 0 490.652 4.918 20 0 JJADRN O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCN[C@H](c2ccccc2)C1 ZINC001451473913 1067173879 /nfs/dbraw/zinc/17/38/79/1067173879.db2.gz OZKJSTXZALUOGM-QFIPXVFZSA-N 0 0 451.364 4.815 20 0 JJADRN O=C(c1ccc(COc2ccccc2Br)cc1)N1CCN[C@@H](c2ccccc2)C1 ZINC001451466024 1067173899 /nfs/dbraw/zinc/17/38/99/1067173899.db2.gz BYTPTWPSKJZSAO-JOCHJYFZSA-N 0 0 451.364 4.815 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(C)c(C)c1)n2CC ZINC001458853221 1067173848 /nfs/dbraw/zinc/17/38/48/1067173848.db2.gz IJYFKQUPALMDHJ-UHFFFAOYSA-N 0 0 459.637 4.679 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H](C)c1c(C)noc1C ZINC001545826295 1067173904 /nfs/dbraw/zinc/17/39/04/1067173904.db2.gz JWWVWYXIXUNEBG-WBVHZDCISA-N 0 0 470.593 4.942 20 0 JJADRN O=C(c1ccc(COc2ccccc2Br)cc1)N1CCN[C@H](c2ccccc2)C1 ZINC001451466034 1067173929 /nfs/dbraw/zinc/17/39/29/1067173929.db2.gz BYTPTWPSKJZSAO-QFIPXVFZSA-N 0 0 451.364 4.815 20 0 JJADRN CN(C[C@H](O)c1ccccc1Br)C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC001451470291 1067173984 /nfs/dbraw/zinc/17/39/84/1067173984.db2.gz JEZIRDHFPJKAOO-IBGZPJMESA-N 0 0 459.365 4.569 20 0 JJADRN COc1ccc(-n2ccnc2SC[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001458855223 1067174312 /nfs/dbraw/zinc/17/43/12/1067174312.db2.gz BCKINIVBNRAMOK-FQEVSTJZSA-N 0 0 459.612 4.779 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2)n1CC1(OC)CCC(C)CC1 ZINC001545826493 1067174620 /nfs/dbraw/zinc/17/46/20/1067174620.db2.gz OGSICKNIBGDNEU-PHGZLGOBSA-N 0 0 455.647 4.989 20 0 JJADRN CC[C@H](Sc1ncc(-c2ccc3c(c2)OCCO3)n1CC)C(=O)Nc1ccc(OC)cc1 ZINC001458856286 1067174983 /nfs/dbraw/zinc/17/49/83/1067174983.db2.gz MOAQNFBGJAHTGY-QFIPXVFZSA-N 0 0 453.564 4.859 20 0 JJADRN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCSC[C@@H]2C)on1 ZINC001545826665 1067175090 /nfs/dbraw/zinc/17/50/90/1067175090.db2.gz RKVKQUILOCSQSR-INIZCTEOSA-N 0 0 459.591 4.878 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCn2cc(C)nc21 ZINC001545826670 1067175792 /nfs/dbraw/zinc/17/57/92/1067175792.db2.gz ROCRNHDGAUIIIU-QZTJIDSGSA-N 0 0 499.610 4.755 20 0 JJADRN CN(CCCN(C)C(=O)c1ccccc1NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC001451517575 1067175971 /nfs/dbraw/zinc/17/59/71/1067175971.db2.gz JGRMDCUGAGMFCT-UHFFFAOYSA-N 0 0 455.555 4.764 20 0 JJADRN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC[C@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001451519823 1067176064 /nfs/dbraw/zinc/17/60/64/1067176064.db2.gz CECSCUGCQJZNIW-QRVBRYPASA-N 0 0 456.656 4.668 20 0 JJADRN CN(C(=O)c1cccc(C(=O)N2CCCC2)n1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001458860271 1067176145 /nfs/dbraw/zinc/17/61/45/1067176145.db2.gz BDSWOFHDEOIDOO-KRWDZBQOSA-N 0 0 459.390 4.712 20 0 JJADRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001458859897 1067176183 /nfs/dbraw/zinc/17/61/83/1067176183.db2.gz XLIDOVATUCWGMG-SUMWQHHRSA-N 0 0 450.423 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(OC)cc2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001545826756 1067176262 /nfs/dbraw/zinc/17/62/62/1067176262.db2.gz SPBMJKQHGILITJ-OXQOHEQNSA-N 0 0 475.584 4.838 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545826831 1067176294 /nfs/dbraw/zinc/17/62/94/1067176294.db2.gz UOGOFTLGAGEJKV-SFTDATJTSA-N 0 0 477.657 4.785 20 0 JJADRN O=C(NCc1cccc(Br)c1Cl)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC001451527748 1067176568 /nfs/dbraw/zinc/17/65/68/1067176568.db2.gz SHWJUSAQNCYJHS-LDADJPATSA-N 0 0 459.727 4.783 20 0 JJADRN CCSc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1 ZINC001458860775 1067176722 /nfs/dbraw/zinc/17/67/22/1067176722.db2.gz NIYPHEPCPIIZLM-UHFFFAOYSA-N 0 0 458.628 4.821 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C)c1nccs1 ZINC001545826916 1067176751 /nfs/dbraw/zinc/17/67/51/1067176751.db2.gz WYMIIMLJRCUEBE-HUUCEWRRSA-N 0 0 476.597 4.932 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001545826851 1067176848 /nfs/dbraw/zinc/17/68/48/1067176848.db2.gz VEWDMLNQGNBTOG-QUCCMNQESA-N 0 0 481.620 4.616 20 0 JJADRN CCCc1c(NC(=O)CSc2nnc(-c3cccs3)n2CC)cnn1-c1ccccc1 ZINC001458861108 1067176805 /nfs/dbraw/zinc/17/68/05/1067176805.db2.gz CYLPHHHSOFCERE-UHFFFAOYSA-N 0 0 452.609 4.896 20 0 JJADRN Nn1c(SCCOc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(Br)c1 ZINC001458860888 1067176821 /nfs/dbraw/zinc/17/68/21/1067176821.db2.gz HLFHUHVNGYYCFG-UHFFFAOYSA-N 0 0 459.291 4.611 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC001451536875 1067177340 /nfs/dbraw/zinc/17/73/40/1067177340.db2.gz RFJQVQUANFMLKQ-OAQYLSRUSA-N 0 0 456.533 4.865 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc3ccccc3o2)n1C[C@@H]1CCCOC1 ZINC001545827042 1067177372 /nfs/dbraw/zinc/17/73/72/1067177372.db2.gz ZCRGUJXVEPXUQJ-MSOLQXFVSA-N 0 0 453.587 4.567 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC001458863288 1067177387 /nfs/dbraw/zinc/17/73/87/1067177387.db2.gz KBZQQVVNBPWREM-INIZCTEOSA-N 0 0 453.404 4.875 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(Cl)cc1)Sc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC001458864486 1067177759 /nfs/dbraw/zinc/17/77/59/1067177759.db2.gz WEQJLTZSLOYIGU-HXUWFJFHSA-N 0 0 456.999 4.787 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1)C1CCCCC1 ZINC001458864520 1067177812 /nfs/dbraw/zinc/17/78/12/1067177812.db2.gz NEXHNEVLQWEHDV-UHFFFAOYSA-N 0 0 457.977 4.956 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001545827780 1067177863 /nfs/dbraw/zinc/17/78/63/1067177863.db2.gz ASEBTVLFNWQXIK-PBSMCPNCSA-N 0 0 497.684 4.736 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001545828211 1067178342 /nfs/dbraw/zinc/17/83/42/1067178342.db2.gz NJMRNXYNXNNZKY-HXUWFJFHSA-N 0 0 498.672 4.920 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001545828273 1067178374 /nfs/dbraw/zinc/17/83/74/1067178374.db2.gz OWFGTLNZGFVEGN-UHFFFAOYSA-N 0 0 466.561 4.560 20 0 JJADRN O=C(OCc1cc(Cl)cc2c1OCC2)c1nn(-c2ccccc2F)cc1Br ZINC001458865629 1067178373 /nfs/dbraw/zinc/17/83/73/1067178373.db2.gz VNOFWWMULLBBAE-UHFFFAOYSA-N 0 0 451.679 4.719 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC001458865449 1067178414 /nfs/dbraw/zinc/17/84/14/1067178414.db2.gz UTXMXQHGXMXHGC-UHFFFAOYSA-N 0 0 452.458 4.809 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001451571326 1067178485 /nfs/dbraw/zinc/17/84/85/1067178485.db2.gz CJZNGEOOYQQPAB-QZTJIDSGSA-N 0 0 452.551 4.563 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001545828210 1067178405 /nfs/dbraw/zinc/17/84/05/1067178405.db2.gz NJMRNXYNXNNZKY-FQEVSTJZSA-N 0 0 498.672 4.920 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001545828424 1067179144 /nfs/dbraw/zinc/17/91/44/1067179144.db2.gz UJYUYHFSZWXOII-KNQAVFIVSA-N 0 0 498.672 4.918 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001451575199 1067179217 /nfs/dbraw/zinc/17/92/17/1067179217.db2.gz KKEHBZTWLWOPCA-RXVVDRJESA-N 0 0 451.567 4.671 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1NC(=O)c1ccccc1 ZINC001451575197 1067179286 /nfs/dbraw/zinc/17/92/86/1067179286.db2.gz KKEHBZTWLWOPCA-NQIIRXRSSA-N 0 0 451.567 4.671 20 0 JJADRN C[C@H]1COc2ccccc2CN1C(=O)c1cccn1-c1cccc(I)c1 ZINC001458867481 1067179575 /nfs/dbraw/zinc/17/95/75/1067179575.db2.gz UMTAYJQALIKRNX-HNNXBMFYSA-N 0 0 458.299 4.505 20 0 JJADRN Cc1csc(Nc2ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)cc2)n1 ZINC001451600558 1067180512 /nfs/dbraw/zinc/18/05/12/1067180512.db2.gz GYSUFRKSZNIHAQ-OAHLLOKOSA-N 0 0 458.506 4.771 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001545829921 1067180541 /nfs/dbraw/zinc/18/05/41/1067180541.db2.gz JNVOEOTUEKBJIP-XLIONFOSSA-N 0 0 474.650 4.563 20 0 JJADRN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(Cl)ncnc2N(C)C)cc1F ZINC001458870999 1067180871 /nfs/dbraw/zinc/18/08/71/1067180871.db2.gz QSTBOARPIGGMLK-UHFFFAOYSA-N 0 0 455.946 4.635 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001545830064 1067180787 /nfs/dbraw/zinc/18/07/87/1067180787.db2.gz MFOGDFSBILDAIT-SMTRDTIPSA-N 0 0 476.065 4.773 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001545830063 1067180806 /nfs/dbraw/zinc/18/08/06/1067180806.db2.gz MFOGDFSBILDAIT-QBFCQJJASA-N 0 0 476.065 4.773 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001545830190 1067180915 /nfs/dbraw/zinc/18/09/15/1067180915.db2.gz OPBYSDLPHWCVOK-VDZJLULYSA-N 0 0 495.594 4.737 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC(C)(C)C(C)C ZINC001545830246 1067180980 /nfs/dbraw/zinc/18/09/80/1067180980.db2.gz PQMXARUFWKYOKW-UHFFFAOYSA-N 0 0 496.700 4.620 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 ZINC001451601779 1067180853 /nfs/dbraw/zinc/18/08/53/1067180853.db2.gz YUKRBORLTROXNL-CJNGLKHVSA-N 0 0 453.461 4.784 20 0 JJADRN CSc1cc(C)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC001451618736 1067180891 /nfs/dbraw/zinc/18/08/91/1067180891.db2.gz ONJFOWCUKUMJAO-UHFFFAOYSA-N 0 0 454.573 4.973 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001545830189 1067181016 /nfs/dbraw/zinc/18/10/16/1067181016.db2.gz OPBYSDLPHWCVOK-SZVBFZGTSA-N 0 0 495.594 4.737 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCc1cc(C)ccc1OC ZINC001545830309 1067181726 /nfs/dbraw/zinc/18/17/26/1067181726.db2.gz RAEBUQLSHSXODJ-PGRDOPGGSA-N 0 0 455.647 4.771 20 0 JJADRN COc1ccc2c(c1)OC(C)(C)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 ZINC001451643943 1067181812 /nfs/dbraw/zinc/18/18/12/1067181812.db2.gz SMFVRBLYFSZAJH-QFIPXVFZSA-N 0 0 454.567 4.769 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545832012 1067182271 /nfs/dbraw/zinc/18/22/71/1067182271.db2.gz DIVDXDAHSMVZSC-VMBOVVBDSA-N 0 0 461.598 4.507 20 0 JJADRN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC001546033030 1067182499 /nfs/dbraw/zinc/18/24/99/1067182499.db2.gz LHFCDJQBQUCVAF-UHFFFAOYSA-N 0 0 471.646 4.585 20 0 JJADRN CCCCCn1nc(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c2ccccc2c1=O ZINC001451648954 1067182523 /nfs/dbraw/zinc/18/25/23/1067182523.db2.gz IHYZNRXANHFLOC-LJQANCHMSA-N 0 0 455.599 4.561 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)c2ccccc21 ZINC001545832939 1067182972 /nfs/dbraw/zinc/18/29/72/1067182972.db2.gz GSXMIAJFMXMKSI-QGZVFWFLSA-N 0 0 453.526 4.537 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C\c2ccccc2)n1Cc1ccc(Cl)nc1 ZINC001545832175 1067183060 /nfs/dbraw/zinc/18/30/60/1067183060.db2.gz IVTLVMBLBDSBEP-JXAWBTAJSA-N 0 0 467.017 4.833 20 0 JJADRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)C1 ZINC001451652477 1067183173 /nfs/dbraw/zinc/18/31/73/1067183173.db2.gz NBJRYFMBTAUUFE-RBBKRZOGSA-N 0 0 458.599 4.538 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1CC[C@H]1CCCCO1 ZINC001545833705 1067183670 /nfs/dbraw/zinc/18/36/70/1067183670.db2.gz HOJAMCFBYOPRAG-QGZVFWFLSA-N 0 0 498.491 4.616 20 0 JJADRN CC(C)Cn1ncc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c1C(F)F ZINC001458878306 1067183752 /nfs/dbraw/zinc/18/37/52/1067183752.db2.gz MDPXDTXRHPVETM-UHFFFAOYSA-N 0 0 452.502 4.633 20 0 JJADRN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2I)c2cccc(Cl)c2O1 ZINC001458877130 1067183807 /nfs/dbraw/zinc/18/38/07/1067183807.db2.gz OQLAJJCEGBSPHB-LLVKDONJSA-N 0 0 457.695 4.771 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)cc2C1 ZINC001458877266 1067183853 /nfs/dbraw/zinc/18/38/53/1067183853.db2.gz PNPZNHROGUQTKN-JOCHJYFZSA-N 0 0 452.620 4.841 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545834026 1067184255 /nfs/dbraw/zinc/18/42/55/1067184255.db2.gz UMOXTNZRVVDRPD-UHFFFAOYSA-N 0 0 488.608 4.608 20 0 JJADRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC001458879338 1067184312 /nfs/dbraw/zinc/18/43/12/1067184312.db2.gz AJDODYGMZCZSRE-LSDHHAIUSA-N 0 0 456.015 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)cc21 ZINC001451665241 1067184531 /nfs/dbraw/zinc/18/45/31/1067184531.db2.gz QSAWOXSBTDMVLG-QXAKKESOSA-N 0 0 458.990 4.962 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CC[C@@H]1CCCCO1 ZINC001545834817 1067184625 /nfs/dbraw/zinc/18/46/25/1067184625.db2.gz BFMQOLUFYRBYJF-SFHVURJKSA-N 0 0 466.001 4.585 20 0 JJADRN CC[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c2cccc(Cl)c2O1 ZINC001458881287 1067184925 /nfs/dbraw/zinc/18/49/25/1067184925.db2.gz XUUZZUAQWPVTLK-LAUBAEHRSA-N 0 0 453.970 4.709 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccccc1Cl ZINC001545834882 1067185415 /nfs/dbraw/zinc/18/54/15/1067185415.db2.gz DGXOUBBNMBQVOW-UHFFFAOYSA-N 0 0 461.397 4.583 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)o2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001545834868 1067185481 /nfs/dbraw/zinc/18/54/81/1067185481.db2.gz CYGDHSCIFLZLAE-UHFFFAOYSA-N 0 0 471.552 4.744 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1Cc1ccc2c(n1)CCCC2 ZINC001545834940 1067185488 /nfs/dbraw/zinc/18/54/88/1067185488.db2.gz GJIIYXBRCFDRRH-UHFFFAOYSA-N 0 0 499.034 4.948 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccc2OC)n1Cc1ccc(Cl)nc1 ZINC001545835078 1067185962 /nfs/dbraw/zinc/18/59/62/1067185962.db2.gz KQLWTEVDGYECOZ-UHFFFAOYSA-N 0 0 491.423 4.592 20 0 JJADRN CO[C@@H]1Cc2ccc(NC(=O)c3ccc4c(c3)[C@H](CNC(=O)OC(C)(C)C)CCC4)cc2C1 ZINC001458883138 1067186015 /nfs/dbraw/zinc/18/60/15/1067186015.db2.gz WYKGCPNJRBGPPR-NZQKXSOJSA-N 0 0 450.579 4.997 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1C[C@H]1C(F)(F)C12CCC2 ZINC001545835258 1067186559 /nfs/dbraw/zinc/18/65/59/1067186559.db2.gz QIRYNKNCRFLKGU-QGZVFWFLSA-N 0 0 485.501 4.686 20 0 JJADRN COc1ccc(CNc2nnc(S[C@H]3CCN(c4c(C)cc(C)cc4C)C3=O)s2)cc1 ZINC001458885472 1067186669 /nfs/dbraw/zinc/18/66/69/1067186669.db2.gz XYLOGZWEQLVIKI-IBGZPJMESA-N 0 0 454.621 4.982 20 0 JJADRN Cc1cc([C@H](CC(=O)N2CCC(OC3CCC3)CC2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001451712247 1067187697 /nfs/dbraw/zinc/18/76/97/1067187697.db2.gz NYAPLWQFSHGJES-IBGZPJMESA-N 0 0 451.995 4.559 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001545835468 1067187755 /nfs/dbraw/zinc/18/77/55/1067187755.db2.gz ZBBXGFVBGRRZRO-UHFFFAOYSA-N 0 0 482.604 4.593 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001545835428 1067187761 /nfs/dbraw/zinc/18/77/61/1067187761.db2.gz XXRNXVRPZGNGLZ-AUSIDOKSSA-N 0 0 480.078 4.753 20 0 JJADRN O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC(OC2CCC2)CC1 ZINC001451713978 1067187725 /nfs/dbraw/zinc/18/77/25/1067187725.db2.gz SXVYARADNKAGKD-UHFFFAOYSA-N 0 0 455.395 4.743 20 0 JJADRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001451700514 1067187759 /nfs/dbraw/zinc/18/77/59/1067187759.db2.gz MULFGDDGQOEGLF-INIZCTEOSA-N 0 0 451.405 4.630 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@@H]1CCCSC1 ZINC001545836156 1067188524 /nfs/dbraw/zinc/18/85/24/1067188524.db2.gz DBBPTBPIAFGCQP-KRWDZBQOSA-N 0 0 450.052 4.630 20 0 JJADRN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001451724171 1067188470 /nfs/dbraw/zinc/18/84/70/1067188470.db2.gz JKRMZRGQKIDDHW-ROUUACIJSA-N 0 0 452.389 4.724 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)c1C ZINC001451722403 1067188548 /nfs/dbraw/zinc/18/85/48/1067188548.db2.gz HRVMSFKLDZPYOS-UHFFFAOYSA-N 0 0 453.289 4.736 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001451719428 1067188561 /nfs/dbraw/zinc/18/85/61/1067188561.db2.gz CPXDDNPZQSUPOH-DZGCQCFKSA-N 0 0 469.376 4.566 20 0 JJADRN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001451727726 1067188578 /nfs/dbraw/zinc/18/85/78/1067188578.db2.gz CQRRJFIAIGWOSD-GOSISDBHSA-N 0 0 458.580 4.603 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(C)c2C)C1 ZINC001546104546 1067188592 /nfs/dbraw/zinc/18/85/92/1067188592.db2.gz AMZFAPWTCBGVQE-UHFFFAOYSA-N 0 0 457.420 4.814 20 0 JJADRN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2cnc(Br)c(C)c2)c1 ZINC001458892591 1067188599 /nfs/dbraw/zinc/18/85/99/1067188599.db2.gz YOENTEWXFMVUTP-UHFFFAOYSA-N 0 0 453.365 4.847 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001451730261 1067188885 /nfs/dbraw/zinc/18/88/85/1067188885.db2.gz GDYMIXPLCCMPIT-UYAOXDASSA-N 0 0 451.007 4.899 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C)n1CCc1nc2c(s1)CCCC2 ZINC001545836356 1067188947 /nfs/dbraw/zinc/18/89/47/1067188947.db2.gz KMSHVUMCDCHOSS-UHFFFAOYSA-N 0 0 480.682 4.719 20 0 JJADRN Cc1ccc(-c2cc(-c3nnc(SCC(=O)N=S(C)(C)=O)o3)c3ccccc3n2)cc1 ZINC001458898855 1067189624 /nfs/dbraw/zinc/18/96/24/1067189624.db2.gz UTQVAMDSXCZYRR-UHFFFAOYSA-N 0 0 452.561 4.607 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001546104564 1067189755 /nfs/dbraw/zinc/18/97/55/1067189755.db2.gz BFXJVPLUDKKICO-GOSISDBHSA-N 0 0 474.447 4.639 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1C[C@H]1CCCCS1 ZINC001545836429 1067189719 /nfs/dbraw/zinc/18/97/19/1067189719.db2.gz MVTHHUOVJRUYGL-LJQANCHMSA-N 0 0 450.052 4.772 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1Cc1ccc(C)s1 ZINC001545836402 1067189808 /nfs/dbraw/zinc/18/98/08/1067189808.db2.gz LVUYCRNNVHTJLB-UHFFFAOYSA-N 0 0 480.682 4.851 20 0 JJADRN CC[C@@H](Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1)C(=O)Nc1ccc(C)cc1 ZINC001458901231 1067190050 /nfs/dbraw/zinc/19/00/50/1067190050.db2.gz KZMJUTOBLLQWJW-OAQYLSRUSA-N 0 0 453.612 4.974 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CC(C1CCC1)C1CCC1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458902207 1067190837 /nfs/dbraw/zinc/19/08/37/1067190837.db2.gz BVTGVUQHVJPZHA-AREMUKBSSA-N 0 0 451.611 4.875 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccoc2)n1CCc1cc(Br)ccc1F ZINC001545837701 1067190876 /nfs/dbraw/zinc/19/08/76/1067190876.db2.gz MTOWQJPXANDISL-UHFFFAOYSA-N 0 0 492.393 4.570 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccs2)n1CCc1c[nH]c2cc(C)ccc12 ZINC001545837426 1067190919 /nfs/dbraw/zinc/19/09/19/1067190919.db2.gz BYKUZZDBUGXXKD-UHFFFAOYSA-N 0 0 464.639 4.927 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC001546033646 1067191322 /nfs/dbraw/zinc/19/13/22/1067191322.db2.gz CKYRPWLCFKQEKC-ZEQRLZLVSA-N 0 0 451.611 4.921 20 0 JJADRN Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC001451743730 1067191466 /nfs/dbraw/zinc/19/14/66/1067191466.db2.gz YMQUJLXULLISMP-WIYYLYMNSA-N 0 0 451.567 4.765 20 0 JJADRN CC[C@@H](NC(=O)c1cc(Br)cc(I)c1C)c1ccccn1 ZINC001451789447 1067191472 /nfs/dbraw/zinc/19/14/72/1067191472.db2.gz SLSVAGYRJCTKIM-CQSZACIVSA-N 0 0 459.125 4.638 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)CC1 ZINC001458904768 1067191962 /nfs/dbraw/zinc/19/19/62/1067191962.db2.gz BHAVXICZEUSREN-UHFFFAOYSA-N 0 0 451.489 4.966 20 0 JJADRN COc1ccc(Br)c(OC(=O)C2(c3cc(Br)ccc3OC)CC2)c1 ZINC001458905196 1067192088 /nfs/dbraw/zinc/19/20/88/1067192088.db2.gz BXSCMEUEZWZQQA-UHFFFAOYSA-N 0 0 456.130 4.866 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001451801606 1067192187 /nfs/dbraw/zinc/19/21/87/1067192187.db2.gz QMWLREKFRDBJNH-UCFCWBNQSA-N 0 0 453.579 4.658 20 0 JJADRN COC(=O)c1cccc(Br)c1Cn1cnc2cc(-c3ccccc3)sc2c1=O ZINC001458907545 1067192480 /nfs/dbraw/zinc/19/24/80/1067192480.db2.gz HUGCANDGCONGSG-UHFFFAOYSA-N 0 0 455.333 4.722 20 0 JJADRN CC(=O)Oc1ccc(CC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC001458906905 1067192491 /nfs/dbraw/zinc/19/24/91/1067192491.db2.gz MSAFYFIBVJQOEI-UHFFFAOYSA-N 0 0 457.555 4.687 20 0 JJADRN CCOC(=O)[C@H](NC(=O)CCc1cc(Cl)cs1)c1c(C)nn(Cc2ccccc2)c1C ZINC001458905932 1067192601 /nfs/dbraw/zinc/19/26/01/1067192601.db2.gz RWUOEXROLSAYDQ-JOCHJYFZSA-N 0 0 459.999 4.616 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1Cc1ccnc(SC)c1 ZINC001545839160 1067192713 /nfs/dbraw/zinc/19/27/13/1067192713.db2.gz SAPJALIWHRTQDD-UHFFFAOYSA-N 0 0 495.678 4.608 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001545839296 1067193190 /nfs/dbraw/zinc/19/31/90/1067193190.db2.gz XNRBEOCLMDNISU-VGOFRKELSA-N 0 0 484.670 4.504 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C[C@@H](CC)O1 ZINC001451809813 1067193206 /nfs/dbraw/zinc/19/32/06/1067193206.db2.gz QATQZBJJXVCTPL-WOJBJXKFSA-N 0 0 458.484 4.983 20 0 JJADRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001451807609 1067193219 /nfs/dbraw/zinc/19/32/19/1067193219.db2.gz ZHRRIJQQUMQCSX-DSOUEODBSA-N 0 0 450.620 4.523 20 0 JJADRN CC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C[C@@H](CC)O1 ZINC001451814828 1067193223 /nfs/dbraw/zinc/19/32/23/1067193223.db2.gz ZBGBYWJKKJNMOQ-NHCUHLMSSA-N 0 0 459.384 4.660 20 0 JJADRN CC[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C[C@H](CC)O1 ZINC001451809809 1067193278 /nfs/dbraw/zinc/19/32/78/1067193278.db2.gz QATQZBJJXVCTPL-BGYRXZFFSA-N 0 0 458.484 4.983 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1Cc1ccc(C)cc1 ZINC001545839253 1067193290 /nfs/dbraw/zinc/19/32/90/1067193290.db2.gz WCAWKPDFGIJLJM-UHFFFAOYSA-N 0 0 480.560 4.665 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3s2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001545839297 1067193295 /nfs/dbraw/zinc/19/32/95/1067193295.db2.gz XNRBEOCLMDNISU-VGSWGCGISA-N 0 0 484.670 4.504 20 0 JJADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1 ZINC001458908724 1067193659 /nfs/dbraw/zinc/19/36/59/1067193659.db2.gz DNOIXBUUYFNNRZ-ROUUACIJSA-N 0 0 456.533 4.938 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1 ZINC001458908716 1067193697 /nfs/dbraw/zinc/19/36/97/1067193697.db2.gz DNOIXBUUYFNNRZ-HDICACEKSA-N 0 0 456.533 4.938 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1Cc1ncccc1C ZINC001545840482 1067193947 /nfs/dbraw/zinc/19/39/47/1067193947.db2.gz DTXGJEIBFBGTSG-DHLKQENFSA-N 0 0 490.652 4.552 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC1(c2ccccc2)CCOCC1 ZINC001545840669 1067193960 /nfs/dbraw/zinc/19/39/60/1067193960.db2.gz JVNJZKQAEMQWJZ-QFIPXVFZSA-N 0 0 479.669 4.737 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CN(CC)c3ccccc3O2)n1C[C@@H]1CCCC1(C)C ZINC001545840426 1067193989 /nfs/dbraw/zinc/19/39/89/1067193989.db2.gz CICSQYSPCLNMNE-UNMCSNQZSA-N 0 0 496.700 4.747 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1C ZINC001545841948 1067194493 /nfs/dbraw/zinc/19/44/93/1067194493.db2.gz FZDCBMRTXLTVAU-UHFFFAOYSA-N 0 0 483.579 4.823 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001451859136 1067194600 /nfs/dbraw/zinc/19/46/00/1067194600.db2.gz IJLZDBMCLGIPNL-UHFFFAOYSA-N 0 0 459.424 4.654 20 0 JJADRN CC[C@@H]1CN(C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CC)O1 ZINC001451856191 1067194605 /nfs/dbraw/zinc/19/46/05/1067194605.db2.gz YGCPCPNYDSOEHG-VAMGGRTRSA-N 0 0 450.579 4.577 20 0 JJADRN CCc1ccccc1-n1cnnc1SCC(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001451858943 1067194670 /nfs/dbraw/zinc/19/46/70/1067194670.db2.gz PLDDKZZRZXGVPL-FQEVSTJZSA-N 0 0 450.608 4.792 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2nc3cc(F)c(Br)cc3s2)C1 ZINC001458912531 1067194788 /nfs/dbraw/zinc/19/47/88/1067194788.db2.gz SZVSAPHRGFUIIL-SFHVURJKSA-N 0 0 458.353 4.784 20 0 JJADRN C[C@@H]1C[C@H](C)N(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001451861287 1067195263 /nfs/dbraw/zinc/19/52/63/1067195263.db2.gz UYQOVLSRWRQJLZ-MSYCTHLASA-N 0 0 456.627 4.926 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001545843877 1067195659 /nfs/dbraw/zinc/19/56/59/1067195659.db2.gz LWFOSCCSLFUDCM-UHFFFAOYSA-N 0 0 483.535 4.583 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1cc(F)cc(OC)c1 ZINC001545843999 1067196220 /nfs/dbraw/zinc/19/62/20/1067196220.db2.gz PNVGXJDOMLBKDQ-KRWDZBQOSA-N 0 0 459.610 4.798 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(CC(C)C)C2CCCC2)n1CC1CC2(C1)CCOCC2 ZINC001545843908 1067196241 /nfs/dbraw/zinc/19/62/41/1067196241.db2.gz MSWIROGVIMRXBW-UHFFFAOYSA-N 0 0 459.679 4.808 20 0 JJADRN CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001545843992 1067196277 /nfs/dbraw/zinc/19/62/77/1067196277.db2.gz PCOVUTDJEUVBGR-UHFFFAOYSA-N 0 0 468.627 4.679 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001451895704 1067196420 /nfs/dbraw/zinc/19/64/20/1067196420.db2.gz CIADBXDVAUTKJS-WOJBJXKFSA-N 0 0 461.603 4.918 20 0 JJADRN CC(C)CCOc1ccccc1CNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 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XYCNAEFAAAGCSV-UHFFFAOYSA-N 0 0 459.708 4.870 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c12 ZINC001451903582 1067197221 /nfs/dbraw/zinc/19/72/21/1067197221.db2.gz ZIMNVXAECJRHRZ-IAGOWNOFSA-N 0 0 469.611 4.571 20 0 JJADRN COC(=O)C1(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)CCCC1 ZINC001458919964 1067197683 /nfs/dbraw/zinc/19/76/83/1067197683.db2.gz JVFDMYWAFZCCLK-UHFFFAOYSA-N 0 0 455.605 4.689 20 0 JJADRN O=C(CCCCCc1ccc(F)cc1)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001458920194 1067197769 /nfs/dbraw/zinc/19/77/69/1067197769.db2.gz GBXRVMBTTLERPC-OAQYLSRUSA-N 0 0 452.448 4.527 20 0 JJADRN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001451913637 1067198184 /nfs/dbraw/zinc/19/81/84/1067198184.db2.gz IVWNCCQMAJYHGD-LPKAVBRLSA-N 0 0 451.567 4.505 20 0 JJADRN O=C(COCCc1ccc(Br)cc1)NCC1(c2cccc(F)c2F)CCCC1 ZINC001458923341 1067198272 /nfs/dbraw/zinc/19/82/72/1067198272.db2.gz YJWQBDBIJDPICU-UHFFFAOYSA-N 0 0 452.339 4.915 20 0 JJADRN 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IPOXUJDPCHOZEL-UHFFFAOYSA-N 0 0 451.346 4.554 20 0 JJADRN Cc1ccc(CN(CC(C)C)C(=O)CS(=O)(=O)c2cccc(Br)c2)c(C)c1 ZINC001452099183 1067207050 /nfs/dbraw/zinc/20/70/50/1067207050.db2.gz HUWWPPYMEBWBPT-UHFFFAOYSA-N 0 0 452.414 4.524 20 0 JJADRN Cc1ccc(O[C@@H](C)C(=O)NCCCCCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC001452096787 1067207177 /nfs/dbraw/zinc/20/71/77/1067207177.db2.gz YDXFPDDPDFQVPM-INIZCTEOSA-N 0 0 457.409 4.726 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(C)COCCO2)C1 ZINC001546105081 1067207392 /nfs/dbraw/zinc/20/73/92/1067207392.db2.gz UDXKKBCQGTUWEF-QFIPXVFZSA-N 0 0 493.446 4.538 20 0 JJADRN CS(=O)(=O)c1ccc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl ZINC001458953264 1067207516 /nfs/dbraw/zinc/20/75/16/1067207516.db2.gz PIINTALDFLPGTD-UHFFFAOYSA-N 0 0 459.795 4.711 20 0 JJADRN Cc1cc(C(=O)COc2nc(Cc3ccc(F)cc3)no2)c(C)n1CCc1ccc(F)cc1 ZINC001458953346 1067207523 /nfs/dbraw/zinc/20/75/23/1067207523.db2.gz BCKJWAZEEYKZQQ-UHFFFAOYSA-N 0 0 451.473 4.861 20 0 JJADRN COc1ccc(Br)cc1C1(NC(=O)c2cc(Br)cc(C)c2N)CC1 ZINC001452132280 1067208356 /nfs/dbraw/zinc/20/83/56/1067208356.db2.gz JAFLQLVHSBUSKJ-UHFFFAOYSA-N 0 0 454.162 4.530 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)OCc3ccc(OCC4CC4)cc3)CC2=O)ccc1Br ZINC001458956788 1067208455 /nfs/dbraw/zinc/20/84/55/1067208455.db2.gz SRNJOVJCPOAUHC-GOSISDBHSA-N 0 0 458.352 4.643 20 0 JJADRN Cc1ccc(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001452139092 1067208789 /nfs/dbraw/zinc/20/87/89/1067208789.db2.gz RRCAWQABRJUPJA-GOTSBHOMSA-N 0 0 454.636 4.762 20 0 JJADRN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC001452142109 1067208923 /nfs/dbraw/zinc/20/89/23/1067208923.db2.gz BAWUFCUGZIILHY-UHFFFAOYSA-N 0 0 451.405 4.633 20 0 JJADRN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC001458958784 1067208989 /nfs/dbraw/zinc/20/89/89/1067208989.db2.gz RRCCTGCCTKZASZ-XMMPIXPASA-N 0 0 451.885 4.552 20 0 JJADRN CCOc1ccc(CN(C)C(=O)CSc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC001458960634 1067209603 /nfs/dbraw/zinc/20/96/03/1067209603.db2.gz QWVWYNXXPVBTLF-UHFFFAOYSA-N 0 0 451.379 4.928 20 0 JJADRN Cc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001452151312 1067209942 /nfs/dbraw/zinc/20/99/42/1067209942.db2.gz XQEGUWNMHTWEGI-KDURUIRLSA-N 0 0 450.988 4.525 20 0 JJADRN O=C(Nc1ccc(SCc2ccccc2)c(Br)c1)C1=CS(=O)(=O)CCC1 ZINC001452153440 1067210542 /nfs/dbraw/zinc/21/05/42/1067210542.db2.gz WELUWVJFRJGFMP-UHFFFAOYSA-N 0 0 452.395 4.772 20 0 JJADRN C[C@H](C(=O)NCC[C@H]1CSc2ccccc2O1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001452158354 1067211055 /nfs/dbraw/zinc/21/10/55/1067211055.db2.gz GHQJMPQPEZCNJJ-LQBOVUBWSA-N 0 0 456.608 4.948 20 0 JJADRN CC(C)[C@@](C)(NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC001458964024 1067211082 /nfs/dbraw/zinc/21/10/82/1067211082.db2.gz KYQOJVFJEOHSKX-NZQKXSOJSA-N 0 0 459.384 4.868 20 0 JJADRN COc1cccc(Cl)c1CNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001458964409 1067211481 /nfs/dbraw/zinc/21/14/81/1067211481.db2.gz JAVOVHGARNHZLN-UHFFFAOYSA-N 0 0 459.951 4.663 20 0 JJADRN C[C@@H](CN(C)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1)Oc1ccc(Cl)c(Cl)c1 ZINC001458964596 1067211508 /nfs/dbraw/zinc/21/15/08/1067211508.db2.gz ZCGVSEITUMWSOG-LBPRGKRZSA-N 0 0 458.411 4.903 20 0 JJADRN CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1F ZINC001452174245 1067212142 /nfs/dbraw/zinc/21/21/42/1067212142.db2.gz FFRFETSOYDXSCE-SFHVURJKSA-N 0 0 456.436 4.562 20 0 JJADRN CCC(O)(CC)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001546036605 1067212661 /nfs/dbraw/zinc/21/26/61/1067212661.db2.gz BJMZKDCWKNFVLP-LJQANCHMSA-N 0 0 479.463 4.758 20 0 JJADRN Cc1cc(N2C[C@@H](C(=O)Nc3cnc(-c4cccc(C(F)(F)F)c4)cn3)CC2=O)ccc1F ZINC001458970346 1067213005 /nfs/dbraw/zinc/21/30/05/1067213005.db2.gz AVCWRVOTXNEPKN-HNNXBMFYSA-N 0 0 458.415 4.602 20 0 JJADRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC001458969833 1067213167 /nfs/dbraw/zinc/21/31/67/1067213167.db2.gz UFSRWFLKEYUERP-UHFFFAOYSA-N 0 0 459.255 4.744 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N[C@@H](CCO)c1ccccc1F ZINC001452186860 1067213154 /nfs/dbraw/zinc/21/31/54/1067213154.db2.gz MZMVAGNIDAKEER-SFHVURJKSA-N 0 0 452.313 4.745 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001452232047 1067215111 /nfs/dbraw/zinc/21/51/11/1067215111.db2.gz FSBUAEXIOCPWCW-KSSFIOAISA-N 0 0 451.489 4.639 20 0 JJADRN Cc1nc2cc(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001452232084 1067215144 /nfs/dbraw/zinc/21/51/44/1067215144.db2.gz KUGIDMLCKBOUQH-CVEARBPZSA-N 0 0 456.612 4.876 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N3CC(C)(CC(F)F)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001452235583 1067215168 /nfs/dbraw/zinc/21/51/68/1067215168.db2.gz UEUQUXVHDHZNJQ-XUZZJYLKSA-N 0 0 456.533 4.992 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)N3CC(C)(CC(F)F)C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001452235573 1067215263 /nfs/dbraw/zinc/21/52/63/1067215263.db2.gz UEUQUXVHDHZNJQ-URXFXBBRSA-N 0 0 456.533 4.992 20 0 JJADRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(C3CC3)s1)C[C@@H](C)CC2 ZINC001458976853 1067215312 /nfs/dbraw/zinc/21/53/12/1067215312.db2.gz BVIOENIYNUMVLC-WDEREUQCSA-N 0 0 451.639 4.898 20 0 JJADRN Cc1cccc(S(=O)(=O)CCCSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 ZINC001458979612 1067216359 /nfs/dbraw/zinc/21/63/59/1067216359.db2.gz PZWPEBDTIZYLAQ-UHFFFAOYSA-N 0 0 450.589 4.594 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Br ZINC001452254976 1067216420 /nfs/dbraw/zinc/21/64/20/1067216420.db2.gz CRYCCUPYJHYZGD-XKGZKEIXSA-N 0 0 459.384 4.935 20 0 JJADRN Cc1c(C(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001452260480 1067216675 /nfs/dbraw/zinc/21/66/75/1067216675.db2.gz YGHVSBIEFMMQPY-IFXJQAMLSA-N 0 0 451.489 4.639 20 0 JJADRN COc1cc(C(C)=O)c(OC)cc1OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001458980739 1067216778 /nfs/dbraw/zinc/21/67/78/1067216778.db2.gz USQXPFYFICFUBN-GOSISDBHSA-N 0 0 452.334 4.956 20 0 JJADRN O=C(N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc2ccccc2c1O ZINC001452266331 1067217237 /nfs/dbraw/zinc/21/72/37/1067217237.db2.gz LIKNMUGBPZWVDU-VWLOTQADSA-N 0 0 455.510 4.604 20 0 JJADRN CC[C@@H](CNC(=O)CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)C(=O)OC ZINC001452270982 1067217319 /nfs/dbraw/zinc/21/73/19/1067217319.db2.gz LBKSPYQRKFOGJF-HNNXBMFYSA-N 0 0 457.368 4.845 20 0 JJADRN Cn1cc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c(Br)n1 ZINC001458983084 1067218115 /nfs/dbraw/zinc/21/81/15/1067218115.db2.gz DDUITNJKKCAJDZ-UHFFFAOYSA-N 0 0 450.749 4.969 20 0 JJADRN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)s1 ZINC001452284115 1067218319 /nfs/dbraw/zinc/21/83/19/1067218319.db2.gz VGIZSJWLHXOAIW-IBGZPJMESA-N 0 0 451.567 4.816 20 0 JJADRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001452285336 1067218883 /nfs/dbraw/zinc/21/88/83/1067218883.db2.gz AEDJPVGIAVBFMI-OAQYLSRUSA-N 0 0 452.570 4.760 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCOC)C1 ZINC001546104891 1067219258 /nfs/dbraw/zinc/21/92/58/1067219258.db2.gz MOTSBESIWHFWMX-UHFFFAOYSA-N 0 0 451.409 4.769 20 0 JJADRN O=C(CCCC(=O)c1ccc(Br)cc1)Nc1nn(CC(F)(F)F)cc1Cl ZINC001452315579 1067219286 /nfs/dbraw/zinc/21/92/86/1067219286.db2.gz FKOQCZZOGOMTCG-UHFFFAOYSA-N 0 0 452.658 4.853 20 0 JJADRN COC(=O)c1cnc(CSc2nnc(-c3ccccc3C)n2-c2ccc(Cl)cc2)cn1 ZINC001458985584 1067219616 /nfs/dbraw/zinc/21/96/16/1067219616.db2.gz PNUXANBDYPJWTJ-UHFFFAOYSA-N 0 0 451.939 4.765 20 0 JJADRN CC(C)(C)OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001452322822 1067219763 /nfs/dbraw/zinc/21/97/63/1067219763.db2.gz IKPLDDJGKFJCQW-FQEVSTJZSA-N 0 0 453.535 4.608 20 0 JJADRN CCC[C@@H](C)c1cc(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC001452328404 1067219773 /nfs/dbraw/zinc/21/97/73/1067219773.db2.gz HXPNUWCLSOXCRV-LJQANCHMSA-N 0 0 454.596 4.846 20 0 JJADRN Cc1cc(C)cc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)n[nH]2)c1 ZINC001452324703 1067219795 /nfs/dbraw/zinc/21/97/95/1067219795.db2.gz RDLACDGPJKNYJR-IBGZPJMESA-N 0 0 454.477 4.538 20 0 JJADRN Cc1cccc2c1C[C@H](C(=O)Nc1nn(CC(F)(F)F)cc1Cl)N2C(=O)OC(C)(C)C ZINC001452334467 1067219858 /nfs/dbraw/zinc/21/98/58/1067219858.db2.gz XVVPPJZTWORKNQ-OAHLLOKOSA-N 0 0 458.868 4.712 20 0 JJADRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)n[nH]1 ZINC001452336652 1067220239 /nfs/dbraw/zinc/22/02/39/1067220239.db2.gz KGAMFWKXZDHACH-UHFFFAOYSA-N 0 0 454.893 4.834 20 0 JJADRN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)NCc1ccc(Cl)cc1 ZINC001458987136 1067220748 /nfs/dbraw/zinc/22/07/48/1067220748.db2.gz VYFLCAUWQBCDGT-UHFFFAOYSA-N 0 0 456.930 4.787 20 0 JJADRN O=C(N[C@@H](Cc1ccccc1)c1ncco1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001452400781 1067221481 /nfs/dbraw/zinc/22/14/81/1067221481.db2.gz GHBUSQVSDAHSPD-VQTJNVASSA-N 0 0 458.345 4.686 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[C@H]1c1ccccc1OC ZINC001458990485 1067222097 /nfs/dbraw/zinc/22/20/97/1067222097.db2.gz PSPDQHDNRZJQSK-UWDQQESISA-N 0 0 456.627 4.773 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[C@@H]1c1ccccc1OC ZINC001458990503 1067222110 /nfs/dbraw/zinc/22/21/10/1067222110.db2.gz PSPDQHDNRZJQSK-XTJBDQBJSA-N 0 0 456.627 4.773 20 0 JJADRN CN1C(=O)C[C@H](C(=O)N[C@H](Cc2ccccc2)c2ncco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001452413987 1067222239 /nfs/dbraw/zinc/22/22/39/1067222239.db2.gz AAIVOAWIOAHJAF-SCWSEQNSSA-N 0 0 458.345 4.601 20 0 JJADRN CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 ZINC001546038481 1067222406 /nfs/dbraw/zinc/22/24/06/1067222406.db2.gz OMZDZIYGCKJPIW-UHFFFAOYSA-N 0 0 469.033 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)c1ncco1)c1c(F)cccc1F ZINC001452415529 1067222754 /nfs/dbraw/zinc/22/27/54/1067222754.db2.gz CASKMLIIBJZSKD-QUCCMNQESA-N 0 0 457.477 4.619 20 0 JJADRN C[C@H]1CSc2ccccc2N(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC001452415333 1067222911 /nfs/dbraw/zinc/22/29/11/1067222911.db2.gz SDHSCSMQQCMUKB-MRXNPFEDSA-N 0 0 458.630 4.615 20 0 JJADRN CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H](c3cccs3)C(C)(C)CO)cc2)CC1 ZINC001452423691 1067223233 /nfs/dbraw/zinc/22/32/33/1067223233.db2.gz QLBOTPVRLMOYCI-XMMPIXPASA-N 0 0 457.640 4.579 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC001546105353 1067223268 /nfs/dbraw/zinc/22/32/68/1067223268.db2.gz FGDPMQGNRUQTOU-UHFFFAOYSA-N 0 0 458.511 4.606 20 0 JJADRN O=C(Nc1c[nH]nc1Br)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001452425391 1067223421 /nfs/dbraw/zinc/22/34/21/1067223421.db2.gz WXMNPOJFNDZSNF-OAHLLOKOSA-N 0 0 451.118 4.694 20 0 JJADRN CCOC(=O)Nc1ccc(C(=O)N(C)Cc2cc(OC)ccc2Br)c(Cl)c1 ZINC001458993976 1067223466 /nfs/dbraw/zinc/22/34/66/1067223466.db2.gz LHMMRYCMUNPMBF-UHFFFAOYSA-N 0 0 455.736 4.952 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)c1 ZINC001452435202 1067223690 /nfs/dbraw/zinc/22/36/90/1067223690.db2.gz SRWVVVYPZWPUAL-UHFFFAOYSA-N 0 0 458.628 4.765 20 0 JJADRN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccnn3C)C(C)C)c3ccccc3n2)cc1OC ZINC001458995891 1067224351 /nfs/dbraw/zinc/22/43/51/1067224351.db2.gz UHRONVPHHDKUKG-OAQYLSRUSA-N 0 0 458.562 4.822 20 0 JJADRN O=C(COc1cccc(C(F)(F)F)n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001458997560 1067224831 /nfs/dbraw/zinc/22/48/31/1067224831.db2.gz LKEVLFXXJQPQQT-UHFFFAOYSA-N 0 0 450.438 4.545 20 0 JJADRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2cccc(Br)c2C1 ZINC001452452577 1067224865 /nfs/dbraw/zinc/22/48/65/1067224865.db2.gz JSOVZQHIISFNKN-ZIAGYGMSSA-N 0 0 456.258 4.872 20 0 JJADRN O=C(COc1cccc(F)c1I)N[C@@H](c1ccccc1)C1CCCC1 ZINC001458998524 1067225297 /nfs/dbraw/zinc/22/52/97/1067225297.db2.gz UMYNGRWHDOJVPI-FQEVSTJZSA-N 0 0 453.295 4.857 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](c3ccccc3)C3(CO)CCCCC3)n2)n1 ZINC001452454737 1067225330 /nfs/dbraw/zinc/22/53/30/1067225330.db2.gz BHQGNBGWPNBRPL-HSZRJFAPSA-N 0 0 452.986 4.951 20 0 JJADRN O=C(CCCc1ccc(Br)cc1)N1CCOc2cccc(Br)c2C1 ZINC001452453748 1067225360 /nfs/dbraw/zinc/22/53/60/1067225360.db2.gz MWPJRZXIVKPFNW-UHFFFAOYSA-N 0 0 453.174 4.956 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452456551 1067225410 /nfs/dbraw/zinc/22/54/10/1067225410.db2.gz ZEAVDUMOTVPCNC-UHFFFAOYSA-N 0 0 454.368 4.967 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2cc(OC)ccc2Br)c1 ZINC001458999602 1067225845 /nfs/dbraw/zinc/22/58/45/1067225845.db2.gz WYXHEUPAUJMJOR-UHFFFAOYSA-N 0 0 455.736 4.952 20 0 JJADRN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001452461729 1067225880 /nfs/dbraw/zinc/22/58/80/1067225880.db2.gz JXRGTTLCHGIXME-GOSISDBHSA-N 0 0 455.407 4.805 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)NOCc3ccc(C(F)(F)F)cc3)cc2C1 ZINC001546038965 1067225883 /nfs/dbraw/zinc/22/58/83/1067225883.db2.gz HENJCNZIDHTZGD-UHFFFAOYSA-N 0 0 456.486 4.922 20 0 JJADRN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC001452466246 1067225897 /nfs/dbraw/zinc/22/58/97/1067225897.db2.gz QRURYYPAZXXBOL-GOSISDBHSA-N 0 0 455.407 4.805 20 0 JJADRN Cc1c(NC(=O)COc2ccc(C(F)(F)F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001459001878 1067226355 /nfs/dbraw/zinc/22/63/55/1067226355.db2.gz SIAUNUJTVDHNDD-UHFFFAOYSA-N 0 0 458.362 4.690 20 0 JJADRN C[C@H](C(=O)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001459001959 1067226819 /nfs/dbraw/zinc/22/68/19/1067226819.db2.gz UBPFXVHWWVMEGJ-JLLWLGSASA-N 0 0 452.256 4.619 20 0 JJADRN Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001459003461 1067227252 /nfs/dbraw/zinc/22/72/52/1067227252.db2.gz XRCCMUWODUQJCR-NRFANRHFSA-N 0 0 452.599 4.567 20 0 JJADRN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(Br)c(C(F)(F)F)cc1F)C2 ZINC001452491342 1067227695 /nfs/dbraw/zinc/22/76/95/1067227695.db2.gz WRAYLFFTQDQDFU-UHFFFAOYSA-N 0 0 459.237 4.764 20 0 JJADRN CC(C)C[C@@H](C)OCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001546105438 1067227660 /nfs/dbraw/zinc/22/76/60/1067227660.db2.gz HZFIZUCLLDAXEV-OAHLLOKOSA-N 0 0 454.976 4.626 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCCCCc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 ZINC001452491593 1067227784 /nfs/dbraw/zinc/22/77/84/1067227784.db2.gz GLDREANPQSMLSC-FQEVSTJZSA-N 0 0 456.999 4.565 20 0 JJADRN O=C(c1ccc2c(c1)OC(F)(F)O2)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459006247 1067227826 /nfs/dbraw/zinc/22/78/26/1067227826.db2.gz UHNVTXHTPZNBEA-UHFFFAOYSA-N 0 0 454.267 4.592 20 0 JJADRN O=C(c1ccc2c(c1)CCCC(=O)N2)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459005260 1067227837 /nfs/dbraw/zinc/22/78/37/1067227837.db2.gz PTLZABBMAFQASN-UHFFFAOYSA-N 0 0 457.368 4.545 20 0 JJADRN C[C@H](OCc1ccc(F)cc1)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459007093 1067228184 /nfs/dbraw/zinc/22/81/84/1067228184.db2.gz ZUIYISPVBAWWPK-INIZCTEOSA-N 0 0 450.348 4.701 20 0 JJADRN COCCOC(=O)C[C@@H](CNC(=O)c1cc(Br)c2ccccc2c1)CC(C)C ZINC001452492905 1067228170 /nfs/dbraw/zinc/22/81/70/1067228170.db2.gz XBCWWKOPAMWXFK-INIZCTEOSA-N 0 0 450.373 4.574 20 0 JJADRN CC(C)C[C@H](CNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)CC(=O)O[C@@H]1CCOC1 ZINC001452496813 1067228620 /nfs/dbraw/zinc/22/86/20/1067228620.db2.gz SFPQERGMVXMZIV-RNGDQQQVSA-N 0 0 459.583 4.929 20 0 JJADRN O=C(CCNC(=O)c1ccc2ccccc2c1)NCCCCc1nc(-c2ccccn2)cs1 ZINC001452496942 1067228633 /nfs/dbraw/zinc/22/86/33/1067228633.db2.gz QEUMHTSFYQZJAB-UHFFFAOYSA-N 0 0 458.587 4.617 20 0 JJADRN C[C@H](NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497338 1067228672 /nfs/dbraw/zinc/22/86/72/1067228672.db2.gz MSPGKCSWLDSPQC-DNYHZARLSA-N 0 0 464.647 4.698 20 0 JJADRN C[C@H](NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001452497346 1067229132 /nfs/dbraw/zinc/22/91/32/1067229132.db2.gz MSPGKCSWLDSPQC-SMFMAGSUSA-N 0 0 464.647 4.698 20 0 JJADRN Cc1c(Br)cccc1CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC001452499969 1067229471 /nfs/dbraw/zinc/22/94/71/1067229471.db2.gz AHRIPIDRNJQVKY-UHFFFAOYSA-N 0 0 454.368 4.544 20 0 JJADRN CCc1c(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cnn1Cc1ccccc1 ZINC001452512919 1067229947 /nfs/dbraw/zinc/22/99/47/1067229947.db2.gz BYYLWVQHRYMRPJ-UHFFFAOYSA-N 0 0 456.369 4.960 20 0 JJADRN COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC001459018493 1067230346 /nfs/dbraw/zinc/23/03/46/1067230346.db2.gz NFGPWADIJJTPQO-UHFFFAOYSA-N 0 0 453.438 4.638 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC001452513950 1067230503 /nfs/dbraw/zinc/23/05/03/1067230503.db2.gz KUGVOFZAANFEFC-UHFFFAOYSA-N 0 0 455.917 4.862 20 0 JJADRN Cc1cccc(C(=O)Nc2cc(F)cc(F)c2Br)c1I ZINC001459023194 1067230596 /nfs/dbraw/zinc/23/05/96/1067230596.db2.gz DIGNDBOVJKWTKA-UHFFFAOYSA-N 0 0 452.036 4.893 20 0 JJADRN Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)c(I)n1 ZINC001459020790 1067230613 /nfs/dbraw/zinc/23/06/13/1067230613.db2.gz UJPNFJQMXDIJJZ-UHFFFAOYSA-N 0 0 456.280 4.748 20 0 JJADRN O=C(Nc1cc(F)cc(F)c1Br)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001459023569 1067230641 /nfs/dbraw/zinc/23/06/41/1067230641.db2.gz GJRDSQHFBUVPPP-UHFFFAOYSA-N 0 0 454.198 4.651 20 0 JJADRN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1ccn(-c2ccc(F)cc2F)n1 ZINC001452523654 1067231063 /nfs/dbraw/zinc/23/10/63/1067231063.db2.gz ZDKRUHHFAWIQMW-UHFFFAOYSA-N 0 0 450.268 4.617 20 0 JJADRN COc1ccc(-c2cc(C(=O)Nc3n[nH]c(C)c3I)sc2C)cc1 ZINC001452525853 1067231668 /nfs/dbraw/zinc/23/16/68/1067231668.db2.gz YGBAKRBPEBPNQE-UHFFFAOYSA-N 0 0 453.305 4.621 20 0 JJADRN COC(=O)c1ccc(C(F)(F)F)nc1S[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC001459027226 1067232260 /nfs/dbraw/zinc/23/22/60/1067232260.db2.gz DYQOCSUZGMECIG-SECBINFHSA-N 0 0 450.385 4.608 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC001459028869 1067232716 /nfs/dbraw/zinc/23/27/16/1067232716.db2.gz AXFGSDWOUGRTRV-FOIQADDNSA-N 0 0 459.384 4.706 20 0 JJADRN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)NCC=C(Cl)Cl ZINC001452543301 1067233195 /nfs/dbraw/zinc/23/31/95/1067233195.db2.gz MQKKZJVYIKXPJA-UHFFFAOYSA-N 0 0 457.770 4.767 20 0 JJADRN C[C@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001459029371 1067233158 /nfs/dbraw/zinc/23/31/58/1067233158.db2.gz CODUITRFXJNAPT-JTQLQIEISA-N 0 0 456.440 4.753 20 0 JJADRN CC(C)[C@H](NC(=O)CCCCc1ccc(I)cc1)C1(CO)CCCC1 ZINC001452556336 1067233686 /nfs/dbraw/zinc/23/36/86/1067233686.db2.gz HWEPXMSRSJZVQR-FQEVSTJZSA-N 0 0 457.396 4.698 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001459030847 1067233741 /nfs/dbraw/zinc/23/37/41/1067233741.db2.gz GAWIVGLPABVNIG-PZDGAKPMSA-N 0 0 458.274 4.817 20 0 JJADRN Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(OCCN(C)C(=O)OC(C)(C)C)c3)cc2)n1 ZINC001452561039 1067234194 /nfs/dbraw/zinc/23/41/94/1067234194.db2.gz KOQDNUNOVDXBQZ-UHFFFAOYSA-N 0 0 450.539 4.883 20 0 JJADRN COc1cc(Br)ccc1[C@@H](C)NC(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC001459032670 1067234342 /nfs/dbraw/zinc/23/43/42/1067234342.db2.gz KPGLNLOVHGLMKR-MRXNPFEDSA-N 0 0 455.352 4.852 20 0 JJADRN Cc1c[nH]c(-c2ccc(NC(=O)c3cc(Br)cc(Br)c3N)cc2)n1 ZINC001452567181 1067234643 /nfs/dbraw/zinc/23/46/43/1067234643.db2.gz STMHEXNFXPIRKN-UHFFFAOYSA-N 0 0 450.134 4.745 20 0 JJADRN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1nccn1-c1ccc(N(C)C)cc1 ZINC001459033458 1067234762 /nfs/dbraw/zinc/23/47/62/1067234762.db2.gz PKJNGAGVOCSJCW-HNNXBMFYSA-N 0 0 458.609 4.604 20 0 JJADRN CCOC(=O)[C@](C)(CNC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccccc1 ZINC001459033516 1067234913 /nfs/dbraw/zinc/23/49/13/1067234913.db2.gz KNRYKFHURYYQFR-HSZRJFAPSA-N 0 0 458.396 4.898 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)C12CCC2 ZINC001452562157 1067234821 /nfs/dbraw/zinc/23/48/21/1067234821.db2.gz GRBMRTQAHMPMDY-WOJBJXKFSA-N 0 0 452.599 4.871 20 0 JJADRN O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)[C@@H]1CCCc2ccccc21 ZINC001546105764 1067235416 /nfs/dbraw/zinc/23/54/16/1067235416.db2.gz VILYCUZTTAIUAM-HXUWFJFHSA-N 0 0 456.951 4.905 20 0 JJADRN Cc1csc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC001459036951 1067235821 /nfs/dbraw/zinc/23/58/21/1067235821.db2.gz DTHHSABJEVBUJI-UHFFFAOYSA-N 0 0 457.421 4.800 20 0 JJADRN CCCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(C)c1 ZINC001452603226 1067236208 /nfs/dbraw/zinc/23/62/08/1067236208.db2.gz KMCRUKXWPJEIMG-RTBURBONSA-N 0 0 459.608 4.807 20 0 JJADRN COc1ccc(NC(=O)c2c3c(sc2NC(=O)CSc2nc(C)co2)CCCC3)cc1 ZINC001459038745 1067236162 /nfs/dbraw/zinc/23/61/62/1067236162.db2.gz KZGLKMZNJRIMAV-UHFFFAOYSA-N 0 0 457.577 4.915 20 0 JJADRN C[C@@H](C[C@H](O)c1cccs1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC001546040711 1067236386 /nfs/dbraw/zinc/23/63/86/1067236386.db2.gz KUMQGHDEZGCVHU-LRDDRELGSA-N 0 0 451.411 4.805 20 0 JJADRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(C=O)cc1F ZINC001459040131 1067236789 /nfs/dbraw/zinc/23/67/89/1067236789.db2.gz XERKNOXCUZMNHW-UHFFFAOYSA-N 0 0 457.479 4.570 20 0 JJADRN CCc1nc(C(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001452611450 1067236819 /nfs/dbraw/zinc/23/68/19/1067236819.db2.gz ZGVWHIRZWRNEOC-NQIIRXRSSA-N 0 0 459.377 4.865 20 0 JJADRN Cc1ccc(-c2cc(NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)n[nH]2)s1 ZINC001452607399 1067236831 /nfs/dbraw/zinc/23/68/31/1067236831.db2.gz UNRXOTCDXSGZEA-AREMUKBSSA-N 0 0 452.399 4.736 20 0 JJADRN O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001459043859 1067237700 /nfs/dbraw/zinc/23/77/00/1067237700.db2.gz FAJRWHPUGMHEID-LJQANCHMSA-N 0 0 450.432 4.576 20 0 JJADRN CC(=O)c1ccc(C(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)s1 ZINC001459043791 1067237922 /nfs/dbraw/zinc/23/79/22/1067237922.db2.gz DTUNFPKEOBLSLG-OAHLLOKOSA-N 0 0 452.370 4.543 20 0 JJADRN C[C@H](C[C@H](O)c1cccs1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC001546041002 1067237814 /nfs/dbraw/zinc/23/78/14/1067237814.db2.gz QSBSTARSXQDYJU-CZAAIQMYSA-N 0 0 456.995 4.891 20 0 JJADRN C/C=C\c1ccc(OCC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC001459042942 1067237949 /nfs/dbraw/zinc/23/79/49/1067237949.db2.gz POXZDGUHEKPWED-SREVYHEPSA-N 0 0 452.551 4.674 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cc2C1 ZINC001459046065 1067238437 /nfs/dbraw/zinc/23/84/37/1067238437.db2.gz ZXSYNXXDNOKECV-UHFFFAOYSA-N 0 0 455.605 4.981 20 0 JJADRN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CC(O)(c2cccc3ccccc32)C1 ZINC001452639604 1067239266 /nfs/dbraw/zinc/23/92/66/1067239266.db2.gz SYDAUZUUJDHKSC-UHFFFAOYSA-N 0 0 454.217 4.502 20 0 JJADRN COc1cc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)ccc1OCc1ccccc1Cl ZINC001452644985 1067239879 /nfs/dbraw/zinc/23/98/79/1067239879.db2.gz UKHRURSDVHOGTQ-KRWDZBQOSA-N 0 0 453.922 4.789 20 0 JJADRN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)c12 ZINC001459053130 1067240171 /nfs/dbraw/zinc/24/01/71/1067240171.db2.gz PVOSBCJWOHKSJS-GOSISDBHSA-N 0 0 453.974 4.666 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)N1CCCC1=O ZINC001459055779 1067240472 /nfs/dbraw/zinc/24/04/72/1067240472.db2.gz WCSUOOSLUSBEFL-KRWDZBQOSA-N 0 0 450.992 4.867 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C(N)=O)CCCC2)C1 ZINC001546106100 1067240525 /nfs/dbraw/zinc/24/05/25/1067240525.db2.gz JALVPTYFKDPKDF-UHFFFAOYSA-N 0 0 483.657 4.803 20 0 JJADRN CC(=O)N[C@@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F ZINC001459055684 1067240599 /nfs/dbraw/zinc/24/05/99/1067240599.db2.gz XTPXXMCSXWEIID-IBGZPJMESA-N 0 0 458.402 4.538 20 0 JJADRN O=C(CSCC(=O)OC1CCCCC1)N=c1sccn1Cc1cccc2ccccc21 ZINC001459056924 1067240869 /nfs/dbraw/zinc/24/08/69/1067240869.db2.gz QIJJYLRKQCMEJR-UHFFFAOYSA-N 0 0 454.617 4.788 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cc(Cl)ccc2OCC2CCC2)C1 ZINC001459058491 1067241273 /nfs/dbraw/zinc/24/12/73/1067241273.db2.gz LNDSMVYZHUXTCB-OAQYLSRUSA-N 0 0 455.942 4.655 20 0 JJADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cc(Cl)ccc2OCC2CCC2)C1 ZINC001459058489 1067241409 /nfs/dbraw/zinc/24/14/09/1067241409.db2.gz LNDSMVYZHUXTCB-NRFANRHFSA-N 0 0 455.942 4.655 20 0 JJADRN COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC001459058642 1067241425 /nfs/dbraw/zinc/24/14/25/1067241425.db2.gz GVYBHRXAMYQLKA-QFIPXVFZSA-N 0 0 451.592 4.562 20 0 JJADRN CCOC(=O)C[C@@H](S[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC ZINC001459059010 1067241432 /nfs/dbraw/zinc/24/14/32/1067241432.db2.gz RXFFVUWLRPJJNX-TVQRCGJNSA-N 0 0 456.775 4.592 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCC3(c4cccc(OC(F)(F)F)c4)CCC3)c2N1 ZINC001452657103 1067241516 /nfs/dbraw/zinc/24/15/16/1067241516.db2.gz WHNSGYQVTMOPME-MLGOLLRUSA-N 0 0 476.421 4.941 20 0 JJADRN COC(=O)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)cc1C ZINC001459062747 1067241989 /nfs/dbraw/zinc/24/19/89/1067241989.db2.gz IOXXYCODZMOZNR-UHFFFAOYSA-N 0 0 451.906 4.992 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC001459063887 1067242394 /nfs/dbraw/zinc/24/23/94/1067242394.db2.gz LOWNREPGWBRSCI-UHFFFAOYSA-N 0 0 458.543 4.812 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC001459064371 1067242407 /nfs/dbraw/zinc/24/24/07/1067242407.db2.gz PQLXBPABISKKBG-INIZCTEOSA-N 0 0 456.530 4.578 20 0 JJADRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC001452680946 1067242880 /nfs/dbraw/zinc/24/28/80/1067242880.db2.gz KJEYAVAZZZGZOC-BTMIILLNSA-N 0 0 456.627 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001452681428 1067242942 /nfs/dbraw/zinc/24/29/42/1067242942.db2.gz LJCYFDGWUPBVOB-CDIGIKMISA-N 0 0 456.627 4.635 20 0 JJADRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCC(C)(C)C3)c2)cc1 ZINC001459069224 1067243295 /nfs/dbraw/zinc/24/32/95/1067243295.db2.gz BLPPMVGCQNAFPB-IBGZPJMESA-N 0 0 458.624 4.917 20 0 JJADRN CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC001459070514 1067243743 /nfs/dbraw/zinc/24/37/43/1067243743.db2.gz NWZDWPVPLDRCCM-IBGZPJMESA-N 0 0 457.452 4.647 20 0 JJADRN COc1cccc(/C(C)=C\C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1 ZINC001452687934 1067243968 /nfs/dbraw/zinc/24/39/68/1067243968.db2.gz VDFJUVPRUAEGKF-MKLOSEMASA-N 0 0 458.599 4.552 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)c1 ZINC001459071471 1067244182 /nfs/dbraw/zinc/24/41/82/1067244182.db2.gz RKAWSTVFXKMGEF-UHFFFAOYSA-N 0 0 455.692 4.710 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSc1cc(Cl)ccc1Cl ZINC001452691318 1067244241 /nfs/dbraw/zinc/24/42/41/1067244241.db2.gz ODJOCAAQKVQYNI-KRWDZBQOSA-N 0 0 456.391 4.860 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC001452690628 1067244335 /nfs/dbraw/zinc/24/43/35/1067244335.db2.gz ZBVOLHPABVDONW-UHFFFAOYSA-N 0 0 451.567 4.706 20 0 JJADRN CCOC(CCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)OCC ZINC001459071008 1067244376 /nfs/dbraw/zinc/24/43/76/1067244376.db2.gz FESMADZBOGBUOK-UHFFFAOYSA-N 0 0 457.752 4.809 20 0 JJADRN O=C(Oc1ccc(Oc2ccc(Br)cn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001459072218 1067244762 /nfs/dbraw/zinc/24/47/62/1067244762.db2.gz FNKDAFFQWFERGE-UHFFFAOYSA-N 0 0 455.308 4.692 20 0 JJADRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCSc1ccc(Cl)cc1 ZINC001452692666 1067245037 /nfs/dbraw/zinc/24/50/37/1067245037.db2.gz SMTYQJCERQYYIK-FQEVSTJZSA-N 0 0 450.000 4.987 20 0 JJADRN CN(C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452704869 1067245477 /nfs/dbraw/zinc/24/54/77/1067245477.db2.gz VMECGVSZZLTNBX-NRFANRHFSA-N 0 0 450.514 4.708 20 0 JJADRN CN(C[Si](C)(C)C)C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC001452696745 1067245553 /nfs/dbraw/zinc/24/55/53/1067245553.db2.gz XCUMFVPBCIFXLE-UHFFFAOYSA-N 0 0 452.599 4.968 20 0 JJADRN CCCc1nc(C(=O)N(C)[C@H](c2ncc[nH]2)c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC001452696953 1067245588 /nfs/dbraw/zinc/24/55/88/1067245588.db2.gz YBACOYNBIILHDX-FQEVSTJZSA-N 0 0 452.921 4.597 20 0 JJADRN CN(C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001452704871 1067245597 /nfs/dbraw/zinc/24/55/97/1067245597.db2.gz VMECGVSZZLTNBX-OAQYLSRUSA-N 0 0 450.514 4.708 20 0 JJADRN Cc1cccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c1Br ZINC001459075028 1067245959 /nfs/dbraw/zinc/24/59/59/1067245959.db2.gz KARMEZWEINWUDX-UHFFFAOYSA-N 0 0 450.336 4.914 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001459076172 1067246413 /nfs/dbraw/zinc/24/64/13/1067246413.db2.gz PBWXTXVPFMVBPK-RDTXWAMCSA-N 0 0 456.425 4.635 20 0 JJADRN CC1=Nc2ccccc2C12CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)CC2 ZINC001452728494 1067246687 /nfs/dbraw/zinc/24/66/87/1067246687.db2.gz HTYBERDQPGHAAN-UHFFFAOYSA-N 0 0 451.375 4.677 20 0 JJADRN Cc1c(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c(=O)n(C2CCCCC2)n1C ZINC001452732016 1067247138 /nfs/dbraw/zinc/24/71/38/1067247138.db2.gz KQODEVFQMJAIJL-UHFFFAOYSA-N 0 0 454.571 4.550 20 0 JJADRN COc1ccc(CS[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC001459079108 1067247340 /nfs/dbraw/zinc/24/73/40/1067247340.db2.gz YAQLBNUNRZIEBN-NSHDSACASA-N 0 0 458.889 4.974 20 0 JJADRN COc1ccc(CS[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC001459079107 1067247434 /nfs/dbraw/zinc/24/74/34/1067247434.db2.gz YAQLBNUNRZIEBN-LLVKDONJSA-N 0 0 458.889 4.974 20 0 JJADRN CN(C(=O)c1cccc(C(=O)N2CCOc3ccc(Br)cc32)c1)c1ccccc1 ZINC001459079800 1067247470 /nfs/dbraw/zinc/24/74/70/1067247470.db2.gz WZSSDSUZCLNURF-UHFFFAOYSA-N 0 0 451.320 4.765 20 0 JJADRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)c2ccccc21 ZINC001452739946 1067247565 /nfs/dbraw/zinc/24/75/65/1067247565.db2.gz ADHJGRVMUUKZFI-WMZOPIPTSA-N 0 0 456.340 4.626 20 0 JJADRN Cc1c(NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(=O)n(C2CCCCC2)n1C ZINC001452736423 1067247608 /nfs/dbraw/zinc/24/76/08/1067247608.db2.gz YETSMODGOKCNTD-MRXNPFEDSA-N 0 0 456.587 4.838 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCN1C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001452753863 1067248461 /nfs/dbraw/zinc/24/84/61/1067248461.db2.gz BTOVCWPEOKTQCO-UHFFFAOYSA-N 0 0 455.246 4.995 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001546043509 1067248561 /nfs/dbraw/zinc/24/85/61/1067248561.db2.gz UYEYTFXFEWCFCC-FPOVZHCZSA-N 0 0 499.656 4.689 20 0 JJADRN C[C@@H](Sc1nnc2ccc(Br)cn21)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC001459086984 1067248868 /nfs/dbraw/zinc/24/88/68/1067248868.db2.gz KYKWZFGTSZXWCG-ZIAGYGMSSA-N 0 0 459.413 4.729 20 0 JJADRN CCC(O)(CC)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1 ZINC001546043641 1067248983 /nfs/dbraw/zinc/24/89/83/1067248983.db2.gz YUNWKSHJDAJADL-NRFANRHFSA-N 0 0 487.645 4.546 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)c3cc(N4C[C@@H](C)O[C@@H](C)C4)ccn3)nc2)c1 ZINC001452767037 1067250154 /nfs/dbraw/zinc/25/01/54/1067250154.db2.gz JUAKXWHDXPCDSJ-CALCHBBNSA-N 0 0 450.564 4.502 20 0 JJADRN Cc1cc(C)c(C(=O)Cn2nnc(-c3ccc(Br)cc3C(F)(F)F)n2)cc1C ZINC001459100052 1067250251 /nfs/dbraw/zinc/25/02/51/1067250251.db2.gz YPXVLNXRYIDNCX-UHFFFAOYSA-N 0 0 453.262 4.930 20 0 JJADRN COc1cccc(Sc2ccc(NC(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)nc2)c1 ZINC001452767146 1067250276 /nfs/dbraw/zinc/25/02/76/1067250276.db2.gz KHPKLIUFGJRMFH-ZGXWSNOMSA-N 0 0 455.580 4.729 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC[C@H](C)CC2)cc1 ZINC001459102280 1067251099 /nfs/dbraw/zinc/25/10/99/1067251099.db2.gz UWLCRIARVFXQPW-PKOBYXMFSA-N 0 0 454.592 4.903 20 0 JJADRN FC(F)(F)c1cccc(I)c1OC[C@H]1CCC2(CCOCC2)CO1 ZINC001459104567 1067251202 /nfs/dbraw/zinc/25/12/02/1067251202.db2.gz LNRSEBAEDPOPFG-GFCCVEGCSA-N 0 0 456.242 4.665 20 0 JJADRN O=C(COc1c(I)cccc1C(F)(F)F)Nc1ccc(F)c(F)c1 ZINC001459105724 1067251616 /nfs/dbraw/zinc/25/16/16/1067251616.db2.gz RMEBSXWHHOVUAI-UHFFFAOYSA-N 0 0 457.136 4.606 20 0 JJADRN CC(C)Oc1cc(CN(C(=O)c2cc(Br)c(Br)[nH]2)C2CC2)ccn1 ZINC001546044185 1067251743 /nfs/dbraw/zinc/25/17/43/1067251743.db2.gz UKDRTJXMKUDRDJ-UHFFFAOYSA-N 0 0 457.166 4.527 20 0 JJADRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001452789899 1067251801 /nfs/dbraw/zinc/25/18/01/1067251801.db2.gz IGWUJXGQZZOTLQ-VWLOTQADSA-N 0 0 455.888 4.973 20 0 JJADRN COc1ccc(CC(C)(C)NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)cc1 ZINC001459107365 1067252123 /nfs/dbraw/zinc/25/21/23/1067252123.db2.gz KBDWWNSRZLFCAR-BGYRXZFFSA-N 0 0 452.595 4.615 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3cccn3C)n2Cc2cc(OC)ccc2OC(F)F)C1 ZINC001546106331 1067252183 /nfs/dbraw/zinc/25/21/83/1067252183.db2.gz SKKTUOAGCPWBBK-UHFFFAOYSA-N 0 0 459.541 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3CCC[C@](O)(c4ccc(Cl)cc4)C3)c2C1 ZINC001452791368 1067252375 /nfs/dbraw/zinc/25/23/75/1067252375.db2.gz RJHGLFSIIRKKEV-RUZDIDTESA-N 0 0 456.970 4.715 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546044377 1067252832 /nfs/dbraw/zinc/25/28/32/1067252832.db2.gz AGEOHGSLCXKLJW-XDSPWSPCSA-N 0 0 471.671 4.825 20 0 JJADRN OCc1cnc(SCCOc2cc(F)cc(Br)c2)n1Cc1cccc(F)c1 ZINC001459113247 1067253168 /nfs/dbraw/zinc/25/31/68/1067253168.db2.gz RRCAUHGLFSQHOD-UHFFFAOYSA-N 0 0 455.324 4.636 20 0 JJADRN COc1ccc(C(=O)CCC(=O)N2CCC[C@]2(C)Cc2cccc(Cl)c2)c(OC)c1OC ZINC001452799403 1067253200 /nfs/dbraw/zinc/25/32/00/1067253200.db2.gz JDWXEPAUKVOEBT-RUZDIDTESA-N 0 0 459.970 4.953 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(F)c(C(F)(F)F)c2)O1 ZINC001546044426 1067253221 /nfs/dbraw/zinc/25/32/21/1067253221.db2.gz BDULAMXCCGSATQ-AOMKIAJQSA-N 0 0 485.526 4.558 20 0 JJADRN O=C(Nc1cn2cc(Br)ncc2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459113887 1067253513 /nfs/dbraw/zinc/25/35/13/1067253513.db2.gz CYALGTPMONVYHL-UHFFFAOYSA-N 0 0 453.140 4.782 20 0 JJADRN CCc1ccc(-c2ccc(C(=O)N(Cc3cc(C)c(C)c(S(N)(=O)=O)c3)C3CC3)o2)cc1 ZINC001452802430 1067253726 /nfs/dbraw/zinc/25/37/26/1067253726.db2.gz LDGKKGJYNQRIRH-UHFFFAOYSA-N 0 0 452.576 4.578 20 0 JJADRN O=C(Nc1cccc(Oc2ccc(Br)cc2)c1)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001452806318 1067254038 /nfs/dbraw/zinc/25/40/38/1067254038.db2.gz ZDOWSMNNBBGXAA-HXUWFJFHSA-N 0 0 455.308 4.964 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC001459117578 1067253988 /nfs/dbraw/zinc/25/39/88/1067253988.db2.gz CUWGEVDOLFADSN-GOSISDBHSA-N 0 0 451.405 4.724 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)O1 ZINC001546044703 1067254733 /nfs/dbraw/zinc/25/47/33/1067254733.db2.gz FKGXZQZIYCFEPQ-OFVILXPXSA-N 0 0 474.049 4.755 20 0 JJADRN CN(Cc1ccccc1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)OC(C)(C)C ZINC001452814897 1067255066 /nfs/dbraw/zinc/25/50/66/1067255066.db2.gz IVIJNDUPPUQDTO-QHCPKHFHSA-N 0 0 454.567 4.541 20 0 JJADRN CC[C@H](C)c1nc(C)c(CC(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c(C)n1 ZINC001452813771 1067255140 /nfs/dbraw/zinc/25/51/40/1067255140.db2.gz DAPOUEILBISTRI-KRWDZBQOSA-N 0 0 454.615 4.833 20 0 JJADRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(Br)ccc2Br)cc1 ZINC001459121849 1067255619 /nfs/dbraw/zinc/25/56/19/1067255619.db2.gz MAMWZBDVIPWEIH-DLBZAZTESA-N 0 0 452.190 4.698 20 0 JJADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1sc(-c2ccc(F)c(C)c2)nc1C ZINC001459122650 1067255689 /nfs/dbraw/zinc/25/56/89/1067255689.db2.gz MEXHRBSOGFODRP-FQEVSTJZSA-N 0 0 451.523 4.561 20 0 JJADRN COCCCOc1cccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1C ZINC001452822516 1067255742 /nfs/dbraw/zinc/25/57/42/1067255742.db2.gz DEKIRUKJEAHIKP-UHFFFAOYSA-N 0 0 456.583 4.707 20 0 JJADRN O=C(COc1ccc(F)cc1Cl)NCc1cc(Br)ccc1Br ZINC001459124410 1067256028 /nfs/dbraw/zinc/25/60/28/1067256028.db2.gz MSQWPABAXARHSU-UHFFFAOYSA-N 0 0 451.517 4.699 20 0 JJADRN CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@](C)(C(=O)OC)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC001459123306 1067256117 /nfs/dbraw/zinc/25/61/17/1067256117.db2.gz MGKSDXDKYKGVGX-VERVWZFWSA-N 0 0 452.382 4.661 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)C(C)(C)C ZINC001459126781 1067256490 /nfs/dbraw/zinc/25/64/90/1067256490.db2.gz QTNYBOJCNPAQTE-VXKWHMMOSA-N 0 0 453.579 4.634 20 0 JJADRN COC(=O)[C@](C)(NC(=O)c1ccc(SC(F)(F)F)nc1)c1ccc(Cl)c(Cl)c1 ZINC001459125388 1067256542 /nfs/dbraw/zinc/25/65/42/1067256542.db2.gz OQALTPZYYBWIJY-MRXNPFEDSA-N 0 0 453.269 4.819 20 0 JJADRN COC(=O)[C@](C)(NC(=O)CCCOCc1ccc(OC)cc1)c1ccc(Cl)c(Cl)c1 ZINC001459125490 1067256611 /nfs/dbraw/zinc/25/66/11/1067256611.db2.gz PPHHRNVCKDIPCL-JOCHJYFZSA-N 0 0 454.350 4.503 20 0 JJADRN COc1ccc(C2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)n3C)CC2)nc1 ZINC001452835155 1067256639 /nfs/dbraw/zinc/25/66/39/1067256639.db2.gz QOJGKWIQXCTWAH-UHFFFAOYSA-N 0 0 454.368 4.878 20 0 JJADRN COc1ccc(CCCC(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c(OC)c1 ZINC001459127227 1067256989 /nfs/dbraw/zinc/25/69/89/1067256989.db2.gz WYBJTTVUWUQNPE-UHFFFAOYSA-N 0 0 450.560 4.841 20 0 JJADRN CCn1cc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c(-c2ccccc2)n1 ZINC001459128117 1067257472 /nfs/dbraw/zinc/25/74/72/1067257472.db2.gz STKCBOKSSOBCNJ-XMMPIXPASA-N 0 0 453.542 4.827 20 0 JJADRN COc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c2ncccc12 ZINC001459134169 1067257938 /nfs/dbraw/zinc/25/79/38/1067257938.db2.gz QPBHKQBDNMXCQR-TZIWHRDSSA-N 0 0 461.562 4.908 20 0 JJADRN COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCSc2ccc(C)c(C)c2)CC1 ZINC001452867324 1067257974 /nfs/dbraw/zinc/25/79/74/1067257974.db2.gz IYKLIILPDLQELK-UHFFFAOYSA-N 0 0 450.645 4.660 20 0 JJADRN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc21 ZINC001452867123 1067258097 /nfs/dbraw/zinc/25/80/97/1067258097.db2.gz PGHSRGOSNBXRLQ-NRFANRHFSA-N 0 0 456.583 4.694 20 0 JJADRN CCc1cc(=O)n(CC(=O)NCCC(c2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC001459137855 1067258362 /nfs/dbraw/zinc/25/83/62/1067258362.db2.gz VQPJYJCOEMKYIV-UHFFFAOYSA-N 0 0 451.570 4.811 20 0 JJADRN Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl ZINC001459137206 1067258551 /nfs/dbraw/zinc/25/85/51/1067258551.db2.gz OTQBHKCNYJMJKB-UHFFFAOYSA-N 0 0 450.988 4.539 20 0 JJADRN COc1cc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c(Br)cc1O ZINC001452871019 1067258603 /nfs/dbraw/zinc/25/86/03/1067258603.db2.gz SIZZMRGUODXMBW-UHFFFAOYSA-N 0 0 453.292 4.902 20 0 JJADRN O=C(Cn1cc(Cl)cc(Br)c1=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001459139231 1067259088 /nfs/dbraw/zinc/25/90/88/1067259088.db2.gz LEDWKBLIBNAMRX-UHFFFAOYSA-N 0 0 458.061 4.513 20 0 JJADRN CCc1ccc([C@H](NC(=O)COc2c(OC)cc(C(C)=O)cc2OC)c2cccs2)cc1 ZINC001459142645 1067259500 /nfs/dbraw/zinc/25/95/00/1067259500.db2.gz JXKQSKCDVRRPIK-DEOSSOPVSA-N 0 0 453.560 4.815 20 0 JJADRN Cn1c(CNC(=O)COc2ccc3ccccc3c2Br)nc2cccc(Cl)c21 ZINC001459141093 1067259554 /nfs/dbraw/zinc/25/95/54/1067259554.db2.gz PLQJXMDZQJVEAE-UHFFFAOYSA-N 0 0 458.743 4.838 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1cc(Cl)c2cc(Cl)ccc2n1)c1ccc(OC)c(F)c1 ZINC001459143388 1067259611 /nfs/dbraw/zinc/25/96/11/1067259611.db2.gz YJTBXPCOWBNXSO-LJQANCHMSA-N 0 0 451.281 4.724 20 0 JJADRN Cn1c(CNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)nc2cccc(Cl)c21 ZINC001459142285 1067259618 /nfs/dbraw/zinc/25/96/18/1067259618.db2.gz SRTMUOITWJOUQE-UHFFFAOYSA-N 0 0 454.958 4.844 20 0 JJADRN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001452893955 1067260175 /nfs/dbraw/zinc/26/01/75/1067260175.db2.gz ZPKGGQSUCDCUDC-UHFFFAOYSA-N 0 0 454.514 4.947 20 0 JJADRN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001452888631 1067260202 /nfs/dbraw/zinc/26/02/02/1067260202.db2.gz VEOYKTAMRAPKMD-UHFFFAOYSA-N 0 0 457.415 4.828 20 0 JJADRN CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001459145730 1067260514 /nfs/dbraw/zinc/26/05/14/1067260514.db2.gz CHSBGLHGGYFURI-LJQANCHMSA-N 0 0 453.608 4.670 20 0 JJADRN COC(=O)c1ccc2ccccc2c1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001459150547 1067261530 /nfs/dbraw/zinc/26/15/30/1067261530.db2.gz RXFCMXWDSIEOMI-UHFFFAOYSA-N 0 0 450.292 4.827 20 0 JJADRN O=C(N[C@H](C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1)c1ccccc1)c1ccccc1 ZINC001452901025 1067261668 /nfs/dbraw/zinc/26/16/68/1067261668.db2.gz KOHXYWSGWOVVSK-GGAORHGYSA-N 0 0 452.913 4.550 20 0 JJADRN O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001452901094 1067261706 /nfs/dbraw/zinc/26/17/06/1067261706.db2.gz KTJXVELJSLPQKR-INIZCTEOSA-N 0 0 455.704 4.580 20 0 JJADRN CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001452899976 1067261713 /nfs/dbraw/zinc/26/17/13/1067261713.db2.gz DZDFRYGQGJQATO-UARRHKHWSA-N 0 0 458.643 4.812 20 0 JJADRN CCC1(CC)CCN(c2nnc(-c3ccccn3)n2CCCCn2cc(Br)cn2)C1 ZINC001546106230 1067261866 /nfs/dbraw/zinc/26/18/66/1067261866.db2.gz NTQACZBPNLUMBL-UHFFFAOYSA-N 0 0 472.435 4.796 20 0 JJADRN NC(=O)c1ccc(Br)c(OCc2ncc(-c3ccccc3Br)o2)c1 ZINC001459152057 1067261890 /nfs/dbraw/zinc/26/18/90/1067261890.db2.gz HEFJSMORYDCFOZ-UHFFFAOYSA-N 0 0 452.102 4.545 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC001452903630 1067261960 /nfs/dbraw/zinc/26/19/60/1067261960.db2.gz WFIMSPBENTWPNI-ZLNRFVROSA-N 0 0 450.579 4.679 20 0 JJADRN Cc1cc(Br)cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC001459151387 1067262053 /nfs/dbraw/zinc/26/20/53/1067262053.db2.gz VNLHSAGPXYHXRT-UHFFFAOYSA-N 0 0 451.386 4.575 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)cc1 ZINC001459151621 1067262107 /nfs/dbraw/zinc/26/21/07/1067262107.db2.gz VSXSTDQKYKYGQN-UHFFFAOYSA-N 0 0 450.398 4.651 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)C1 ZINC001452901832 1067262145 /nfs/dbraw/zinc/26/21/45/1067262145.db2.gz GYQDHBLPSLPVHW-PJIJBLCYSA-N 0 0 458.933 4.543 20 0 JJADRN CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CNC(=O)c4ccccc43)c2C(=O)OC(C)(C)C)C1 ZINC001459152801 1067262503 /nfs/dbraw/zinc/26/25/03/1067262503.db2.gz CCCZOKWICPKCOC-RDTXWAMCSA-N 0 0 454.592 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)CCOc1cccc(C=O)c1 ZINC001452905511 1067262634 /nfs/dbraw/zinc/26/26/34/1067262634.db2.gz ZWMIHHUUNZWZES-OAQYLSRUSA-N 0 0 452.551 4.531 20 0 JJADRN O=C(/C=C\c1ccc(Cl)s1)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001459153275 1067262544 /nfs/dbraw/zinc/26/25/44/1067262544.db2.gz WUWFGTUXLHFQFK-BENRWUELSA-N 0 0 452.919 4.728 20 0 JJADRN COc1ccc(C(=O)NCc2cccc(C(C)C)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001459154295 1067262619 /nfs/dbraw/zinc/26/26/19/1067262619.db2.gz MSIYOCBXGJONDS-GCJKJVERSA-N 0 0 458.624 4.606 20 0 JJADRN CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CNC(=O)c4ccccc43)c2C(=O)OC(C)(C)C)C1 ZINC001459152774 1067262647 /nfs/dbraw/zinc/26/26/47/1067262647.db2.gz CCCZOKWICPKCOC-KBXCAEBGSA-N 0 0 454.592 4.684 20 0 JJADRN C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001459152524 1067262683 /nfs/dbraw/zinc/26/26/83/1067262683.db2.gz ZKMLBSSBAPVMST-RZFNWQHOSA-N 0 0 450.570 4.728 20 0 JJADRN CCn1c2ccccc2nc1SCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001452906239 1067262949 /nfs/dbraw/zinc/26/29/49/1067262949.db2.gz RGCMAFIFVWAGLL-IBGZPJMESA-N 0 0 458.628 4.587 20 0 JJADRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Br)cnc3Cl)CC2=O)cc1 ZINC001459155253 1067263081 /nfs/dbraw/zinc/26/30/81/1067263081.db2.gz DADKWDDGOANRGW-AWEZNQCLSA-N 0 0 450.764 4.832 20 0 JJADRN CC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c(Br)c1 ZINC001459157528 1067263135 /nfs/dbraw/zinc/26/31/35/1067263135.db2.gz QNLGVPOGAOEIOD-KRWDZBQOSA-N 0 0 457.280 4.594 20 0 JJADRN CCOC(=O)c1ccc2c(c1)N(C(=O)C(F)(F)c1ccccc1Br)CCS2 ZINC001459159562 1067263504 /nfs/dbraw/zinc/26/35/04/1067263504.db2.gz GDDRGTMUZCKMBA-UHFFFAOYSA-N 0 0 456.308 4.857 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3F)C2)C1 ZINC001452908682 1067263617 /nfs/dbraw/zinc/26/36/17/1067263617.db2.gz ZCTQIZNZCQVNTE-JJRVBVJISA-N 0 0 458.933 4.543 20 0 JJADRN CCOC(=O)C1=C(CS[C@@H]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459161791 1067264072 /nfs/dbraw/zinc/26/40/72/1067264072.db2.gz BISLDKJRDRWQJA-KNQAVFIVSA-N 0 0 456.995 4.802 20 0 JJADRN Cc1cccc(O)c1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC001546106835 1067264707 /nfs/dbraw/zinc/26/47/07/1067264707.db2.gz OFZJHFZSGWOTJS-UHFFFAOYSA-N 0 0 456.951 4.748 20 0 JJADRN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N1CCC2(CC2(F)F)CC1 ZINC001452923400 1067265081 /nfs/dbraw/zinc/26/50/81/1067265081.db2.gz MDZRXOWVUXHGNH-UHFFFAOYSA-N 0 0 455.571 4.827 20 0 JJADRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1 ZINC001452925904 1067265270 /nfs/dbraw/zinc/26/52/70/1067265270.db2.gz UJDGVDARRXDUSZ-LAUBAEHRSA-N 0 0 453.583 4.672 20 0 JJADRN CC(C)(C)c1cccc(OCC(=O)NCC(=O)Nc2ccccc2Br)c1Cl ZINC001459168941 1067265524 /nfs/dbraw/zinc/26/55/24/1067265524.db2.gz ZHIFWEYYKTTYPP-UHFFFAOYSA-N 0 0 453.764 4.534 20 0 JJADRN COc1ccc(C2=NN(C(=O)COc3cc(C)c(Cl)cc3C=O)[C@@H](c3ccco3)C2)cc1 ZINC001459175087 1067265922 /nfs/dbraw/zinc/26/59/22/1067265922.db2.gz HQAMWQQSSDRNJC-OAQYLSRUSA-N 0 0 452.894 4.819 20 0 JJADRN C[C@H](CO)C1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001452940654 1067265938 /nfs/dbraw/zinc/26/59/38/1067265938.db2.gz ILYRJCAUYJUOBF-KUHUBIRLSA-N 0 0 459.414 4.768 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)OCc2nc(-c3ccc(F)cc3)no2)C1 ZINC001459176921 1067265984 /nfs/dbraw/zinc/26/59/84/1067265984.db2.gz GLKSVHYJZRVODZ-TZIWHRDSSA-N 0 0 481.524 4.645 20 0 JJADRN CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC001452949946 1067266670 /nfs/dbraw/zinc/26/66/70/1067266670.db2.gz GMRLNICQGVKDQY-QFIPXVFZSA-N 0 0 459.428 4.909 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001459180358 1067267045 /nfs/dbraw/zinc/26/70/45/1067267045.db2.gz ZFVIMMGQSZQWDZ-QRWLVFNGSA-N 0 0 451.311 4.700 20 0 JJADRN CC(C)(C)OC(=O)NC1(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)CC2(CCC2)C1 ZINC001452956138 1067267264 /nfs/dbraw/zinc/26/72/64/1067267264.db2.gz PNMSFBZMECAFOE-UHFFFAOYSA-N 0 0 455.382 4.811 20 0 JJADRN CC(C)c1nnc2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)[C@@H]3c3ccc(Cl)c(F)c3)cn21 ZINC001459185293 1067267846 /nfs/dbraw/zinc/26/78/46/1067267846.db2.gz CXOPEZNNVUEDNQ-IIBYNOLFSA-N 0 0 457.937 4.582 20 0 JJADRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC001459186043 1067268196 /nfs/dbraw/zinc/26/81/96/1067268196.db2.gz CUIWQMSQQTVGMP-OAQYLSRUSA-N 0 0 459.384 4.565 20 0 JJADRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cnn(Cc2ccccc2)c1Br ZINC001459186415 1067268234 /nfs/dbraw/zinc/26/82/34/1067268234.db2.gz RXSOVQRSCFUHDP-KRWDZBQOSA-N 0 0 452.274 4.770 20 0 JJADRN CC(=O)c1ccc2nc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)sc2c1 ZINC001459186883 1067268256 /nfs/dbraw/zinc/26/82/56/1067268256.db2.gz IDIIDXNGVGAVRF-UHFFFAOYSA-N 0 0 450.541 4.725 20 0 JJADRN COC(=O)COc1ccc(CN(C)C(=O)c2c(C)n(Cc3ccccc3)c3ccccc32)cc1 ZINC001459187478 1067268593 /nfs/dbraw/zinc/26/85/93/1067268593.db2.gz JXCCUTDGZPTIAA-UHFFFAOYSA-N 0 0 456.542 4.822 20 0 JJADRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC001459190281 1067269022 /nfs/dbraw/zinc/26/90/22/1067269022.db2.gz YXKBDFAYTZTEAV-FQEVSTJZSA-N 0 0 454.448 4.678 20 0 JJADRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C(F)(F)F)nc1C ZINC001459192126 1067269443 /nfs/dbraw/zinc/26/94/43/1067269443.db2.gz JNSOVBJZCOYDJV-INIZCTEOSA-N 0 0 459.306 4.939 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC001452977432 1067269483 /nfs/dbraw/zinc/26/94/83/1067269483.db2.gz MTLIXALOAGAZGD-IAGOWNOFSA-N 0 0 455.418 4.547 20 0 JJADRN CCOC1CC(CCNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001459192950 1067269587 /nfs/dbraw/zinc/26/95/87/1067269587.db2.gz XMOLKLYOSXPRIE-UHFFFAOYSA-N 0 0 459.384 4.565 20 0 JJADRN CC(C)(C)OCc1cc(CNC(=O)c2cc(Br)sc2Br)no1 ZINC001459198434 1067269881 /nfs/dbraw/zinc/26/98/81/1067269881.db2.gz POJXRFSDHAPUPS-UHFFFAOYSA-N 0 0 452.168 4.506 20 0 JJADRN O=C(Oc1ccc(OC(F)(F)F)c(Br)c1)C1([C@H]2CCCCO2)CCOCC1 ZINC001459198369 1067269932 /nfs/dbraw/zinc/26/99/32/1067269932.db2.gz PFJWYESRPJSICX-OAHLLOKOSA-N 0 0 453.251 4.619 20 0 JJADRN CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC001452977550 1067270133 /nfs/dbraw/zinc/27/01/33/1067270133.db2.gz VOSQEFIBOAQQFU-QFQXNSOFSA-N 0 0 455.620 4.533 20 0 JJADRN CC(C)(C)OCc1cc(CNC(=O)CCc2nc3cc(Br)ccc3s2)no1 ZINC001459202903 1067270389 /nfs/dbraw/zinc/27/03/89/1067270389.db2.gz XUJMHKRAJFPYQV-UHFFFAOYSA-N 0 0 452.374 4.611 20 0 JJADRN COc1ccccc1N(C)C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001452982499 1067270413 /nfs/dbraw/zinc/27/04/13/1067270413.db2.gz FYKQWMCGZSBTPS-UHFFFAOYSA-N 0 0 452.576 4.560 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC001452983395 1067270581 /nfs/dbraw/zinc/27/05/81/1067270581.db2.gz HWJVUUXKHGOHHI-QFIPXVFZSA-N 0 0 451.325 4.629 20 0 JJADRN CCCOc1ccc(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c(OC2CCCC2)c1 ZINC001459199392 1067270584 /nfs/dbraw/zinc/27/05/84/1067270584.db2.gz CQRYDGBUKRYKAU-IBGZPJMESA-N 0 0 459.608 4.697 20 0 JJADRN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1ccc(-c2cccs2)cc1 ZINC001452995653 1067272039 /nfs/dbraw/zinc/27/20/39/1067272039.db2.gz FPMWGITVFUNAGP-UHFFFAOYSA-N 0 0 450.585 4.553 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC001452995814 1067272233 /nfs/dbraw/zinc/27/22/33/1067272233.db2.gz AFKSPYOMTUXNOJ-HNAYVOBHSA-N 0 0 458.430 4.827 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 ZINC001459221869 1067272860 /nfs/dbraw/zinc/27/28/60/1067272860.db2.gz DEOLZFMRRXZDPU-HXUWFJFHSA-N 0 0 453.336 4.719 20 0 JJADRN COc1ccccc1-n1c(C)nnc1SCC(=O)NCc1ccc(-c2cccs2)cc1 ZINC001452998012 1067272881 /nfs/dbraw/zinc/27/28/81/1067272881.db2.gz MIARDIGKFKDTFK-UHFFFAOYSA-N 0 0 450.589 4.721 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1F ZINC001452998837 1067273359 /nfs/dbraw/zinc/27/33/59/1067273359.db2.gz PUCUAXTWKQSJBN-CRAIPNDOSA-N 0 0 451.325 4.858 20 0 JJADRN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC001459226998 1067273326 /nfs/dbraw/zinc/27/33/26/1067273326.db2.gz GPUQHASVIZIVSB-CVEARBPZSA-N 0 0 457.434 4.531 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC001459228175 1067273837 /nfs/dbraw/zinc/27/38/37/1067273837.db2.gz IDOFNZAHWFHOSR-NVXWUHKLSA-N 0 0 456.587 4.676 20 0 JJADRN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)CC3=CCCOC3)ccc2C)cc1 ZINC001453000031 1067273803 /nfs/dbraw/zinc/27/38/03/1067273803.db2.gz VILDHZDFGDQEBX-UHFFFAOYSA-N 0 0 456.608 4.557 20 0 JJADRN O=C(c1ccccc1[S@](=O)C(F)(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001452999741 1067273840 /nfs/dbraw/zinc/27/38/40/1067273840.db2.gz PHDAVKDDVGVLBI-NDEPHWFRSA-N 0 0 451.297 4.583 20 0 JJADRN O=C(CCCc1cccc(C(F)(F)F)c1)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001453003458 1067274301 /nfs/dbraw/zinc/27/43/01/1067274301.db2.gz YJCSJKRCMGOWHD-KRWDZBQOSA-N 0 0 458.402 4.665 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001459228613 1067274346 /nfs/dbraw/zinc/27/43/46/1067274346.db2.gz IXAQGHDESYCFNU-UKRRQHHQSA-N 0 0 455.502 4.816 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)C1 ZINC001459230860 1067274385 /nfs/dbraw/zinc/27/43/85/1067274385.db2.gz OBEFRFLBLSOHAC-HUUCEWRRSA-N 0 0 453.967 4.674 20 0 JJADRN CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC001459231852 1067274699 /nfs/dbraw/zinc/27/46/99/1067274699.db2.gz FBYLISOTBFJMEJ-IBGZPJMESA-N 0 0 456.951 4.558 20 0 JJADRN O=C(Nc1sc2c(c1C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)CCC2)c1ccco1 ZINC001453028695 1067274947 /nfs/dbraw/zinc/27/49/47/1067274947.db2.gz DPIDMDNAWXMCCJ-INIZCTEOSA-N 0 0 456.486 4.702 20 0 JJADRN CCCN(CCC)C(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001453030070 1067275032 /nfs/dbraw/zinc/27/50/32/1067275032.db2.gz HTSIVYXEHACJGG-HTAPYJJXSA-N 0 0 453.421 4.556 20 0 JJADRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCN(c2ccccc2)C1 ZINC001459232946 1067275185 /nfs/dbraw/zinc/27/51/85/1067275185.db2.gz YQMLOPBHUXUBQM-AUSIDOKSSA-N 0 0 450.380 4.771 20 0 JJADRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC001459234126 1067275225 /nfs/dbraw/zinc/27/52/25/1067275225.db2.gz URHKFUUISUUNPU-GOEBONIOSA-N 0 0 458.559 4.521 20 0 JJADRN Cc1nnc(CN(C)C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC001453057555 1067276014 /nfs/dbraw/zinc/27/60/14/1067276014.db2.gz UVHVODQDXQJBMN-YVWKXTFCSA-N 0 0 459.612 4.746 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN(C)c2ccccc2)O1 ZINC001546047541 1067276102 /nfs/dbraw/zinc/27/61/02/1067276102.db2.gz ALKRPQHYARCFNC-PXDATVDWSA-N 0 0 469.033 4.914 20 0 JJADRN C[C@H](Sc1nc(C2CCCCC2)cs1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC001459239904 1067276187 /nfs/dbraw/zinc/27/61/87/1067276187.db2.gz OVHXLSLLOUOQRO-SFHVURJKSA-N 0 0 459.681 4.820 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CCCC1 ZINC001453069866 1067276611 /nfs/dbraw/zinc/27/66/11/1067276611.db2.gz GMQVXUFFNGDNKF-UHFFFAOYSA-N 0 0 459.587 4.552 20 0 JJADRN COc1ccc(C)cc1NC(=O)COc1cc(C(C)(C)C)ccc1I ZINC001459242821 1067276795 /nfs/dbraw/zinc/27/67/95/1067276795.db2.gz LKWMEHWRWRWDLX-UHFFFAOYSA-N 0 0 453.320 4.923 20 0 JJADRN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)C2 ZINC001453074196 1067277214 /nfs/dbraw/zinc/27/72/14/1067277214.db2.gz HTXJZVXRHXQZIR-HMHJJOSWSA-N 0 0 474.022 4.990 20 0 JJADRN O=C(c1ccc(Br)cc1Br)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001459246005 1067277213 /nfs/dbraw/zinc/27/72/13/1067277213.db2.gz OTSDFKWDYDNWCE-IBGZPJMESA-N 0 0 451.158 4.873 20 0 JJADRN CC(=O)c1c(F)cccc1OCC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC001459250439 1067277631 /nfs/dbraw/zinc/27/76/31/1067277631.db2.gz CUQAPLJTUJZVDX-UHFFFAOYSA-N 0 0 459.271 4.996 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)C1 ZINC001546107515 1067277706 /nfs/dbraw/zinc/27/77/06/1067277706.db2.gz OYYTYDFFMKRAJB-MRXNPFEDSA-N 0 0 467.948 4.549 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC2(Cc3cccc(F)c3)CCC2)c1 ZINC001459252957 1067277842 /nfs/dbraw/zinc/27/78/42/1067277842.db2.gz DWTMXSMORJKJIH-JOCHJYFZSA-N 0 0 456.558 4.552 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(F)F)CC2)O1 ZINC001546047663 1067278201 /nfs/dbraw/zinc/27/82/01/1067278201.db2.gz BOCLTYLWFBUNDH-AOMKIAJQSA-N 0 0 488.410 4.987 20 0 JJADRN CC(C)(C)OC(=O)CCC1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CC1 ZINC001453083518 1067278236 /nfs/dbraw/zinc/27/82/36/1067278236.db2.gz YGRQAILVBXWCQY-RXFWQSSRSA-N 0 0 464.647 4.917 20 0 JJADRN COc1ccc(-c2cc(CNC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)on2)cc1 ZINC001453089672 1067278707 /nfs/dbraw/zinc/27/87/07/1067278707.db2.gz AZQKYSSRDUZMQZ-MJGOQNOKSA-N 0 0 457.571 4.640 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)S[C@@H](C)C2)O1 ZINC001546047671 1067278854 /nfs/dbraw/zinc/27/88/54/1067278854.db2.gz BQQKLXDXPVKAJV-DMNLGMSASA-N 0 0 460.644 4.640 20 0 JJADRN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001459258667 1067278757 /nfs/dbraw/zinc/27/87/57/1067278757.db2.gz ZXZKCSDXOYWALA-JKJRPBHFSA-N 0 0 454.929 4.941 20 0 JJADRN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001459258672 1067278770 /nfs/dbraw/zinc/27/87/70/1067278770.db2.gz ZXZKCSDXOYWALA-KOXWRSSLSA-N 0 0 454.929 4.941 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC001453119100 1067280199 /nfs/dbraw/zinc/28/01/99/1067280199.db2.gz WBWJXFVVEXTXJB-IRSJDDIFSA-N 0 0 499.652 4.589 20 0 JJADRN COc1ncc(NC(=O)c2c(Cl)cc(F)cc2Br)c(C)c1Br ZINC001453118173 1067280271 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451.118 4.658 20 0 JJADRN COc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1Br ZINC001459324996 1067295400 /nfs/dbraw/zinc/29/54/00/1067295400.db2.gz SAIOAMUNWKKJJU-UHFFFAOYSA-N 0 0 455.287 4.826 20 0 JJADRN CC(C)(C)N1CCC[C@@H](C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)C1=O ZINC001453301467 1067295437 /nfs/dbraw/zinc/29/54/37/1067295437.db2.gz CORBETCODZDZCH-KRWDZBQOSA-N 0 0 450.461 4.699 20 0 JJADRN Cc1[nH]nc(Br)c1C(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 ZINC001453304014 1067295745 /nfs/dbraw/zinc/29/57/45/1067295745.db2.gz MQNQUDYNGVYQCH-UHFFFAOYSA-N 0 0 456.222 4.770 20 0 JJADRN Cc1cccc(CN(C)Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)c1 ZINC001459328040 1067295787 /nfs/dbraw/zinc/29/57/87/1067295787.db2.gz DBKFIGONIKKNKN-UHFFFAOYSA-N 0 0 451.162 4.801 20 0 JJADRN CS(=O)(=O)CCOc1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1 ZINC001453309607 1067295845 /nfs/dbraw/zinc/29/58/45/1067295845.db2.gz AXNJWMNAFTXOTN-UHFFFAOYSA-N 0 0 453.347 4.664 20 0 JJADRN CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)c1 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OSPXPQCBORKCNA-XMMPIXPASA-N 0 0 458.643 4.912 20 0 JJADRN Cc1cccc(Cc2cnc(NC(=O)CN(C)Cc3csc(Br)c3)s2)c1 ZINC001459346511 1067299515 /nfs/dbraw/zinc/29/95/15/1067299515.db2.gz DAKDTGXBEALHFG-UHFFFAOYSA-N 0 0 450.427 4.937 20 0 JJADRN CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3NC(C)C)CC2=O)cc1 ZINC001453352199 1067300018 /nfs/dbraw/zinc/30/00/18/1067300018.db2.gz YXYZCJIFDWEJTE-HXUWFJFHSA-N 0 0 451.567 4.628 20 0 JJADRN CCN(C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc21)[C@@H](C)C(=O)OC(C)(C)C ZINC001453353772 1067300088 /nfs/dbraw/zinc/30/00/88/1067300088.db2.gz FKSZGJGBHYFMOR-HNNXBMFYSA-N 0 0 454.596 4.657 20 0 JJADRN Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001459348846 1067300091 /nfs/dbraw/zinc/30/00/91/1067300091.db2.gz QKPQAVABAVQQFH-DEOSSOPVSA-N 0 0 452.551 4.743 20 0 JJADRN C[C@]12CCN(C(=O)CCOc3ccc4ccccc4c3)C[C@H]1C2(Br)Br ZINC001453362338 1067300829 /nfs/dbraw/zinc/30/08/29/1067300829.db2.gz CPEJTFJLLJPKOY-MJGOQNOKSA-N 0 0 467.201 4.963 20 0 JJADRN C[C@]12CCN(C(=O)CCOc3ccc(Cl)c(F)c3)C[C@H]1C2(Br)Br ZINC001453363888 1067300963 /nfs/dbraw/zinc/30/09/63/1067300963.db2.gz FIDFDESHKKQIJM-HIFRSBDPSA-N 0 0 469.576 4.603 20 0 JJADRN Cc1cccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1C(F)(F)F ZINC001453370605 1067301619 /nfs/dbraw/zinc/30/16/19/1067301619.db2.gz QGHZEAAOLRMGTP-RISCZKNCSA-N 0 0 455.112 4.982 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC(Oc3ccccc3)CC2)c2ccccc2)cc1 ZINC001459353538 1067301689 /nfs/dbraw/zinc/30/16/89/1067301689.db2.gz ALWCFQBXUVOMJF-AREMUKBSSA-N 0 0 450.604 4.558 20 0 JJADRN CCSc1cc(CNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC001459360480 1067302867 /nfs/dbraw/zinc/30/28/67/1067302867.db2.gz HBUUWBLEWVTVGG-UHFFFAOYSA-N 0 0 458.630 4.678 20 0 JJADRN COC(=O)C[C@@](C)(NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC001459364451 1067303896 /nfs/dbraw/zinc/30/38/96/1067303896.db2.gz LOTSGTAOKPXHHJ-HXUWFJFHSA-N 0 0 450.347 4.720 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC001453398527 1067304066 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4.618 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)O1 ZINC001546050886 1067305613 /nfs/dbraw/zinc/30/56/13/1067305613.db2.gz CTZCMBPWUAETBW-UMQWNRPGSA-N 0 0 497.684 4.680 20 0 JJADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1)c1ccccc1 ZINC001459372737 1067305628 /nfs/dbraw/zinc/30/56/28/1067305628.db2.gz IABHOELYGFZILZ-KRWDZBQOSA-N 0 0 454.979 4.973 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)O1 ZINC001546050887 1067305731 /nfs/dbraw/zinc/30/57/31/1067305731.db2.gz CTZCMBPWUAETBW-YHGPEZAFSA-N 0 0 497.684 4.680 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCc3c(Cl)oc4ccccc43)cn2c1 ZINC001453431720 1067305905 /nfs/dbraw/zinc/30/59/05/1067305905.db2.gz OACBSQCNVOMCOK-UHFFFAOYSA-N 0 0 454.914 4.689 20 0 JJADRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC001459373454 1067306422 /nfs/dbraw/zinc/30/64/22/1067306422.db2.gz WICZTDYYFJOUIQ-SPLOXXLWSA-N 0 0 457.299 4.745 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)c(F)c2)c(F)c1 ZINC001459375816 1067307310 /nfs/dbraw/zinc/30/73/10/1067307310.db2.gz KTLUBVLSNZHGSX-KRWDZBQOSA-N 0 0 452.501 4.932 20 0 JJADRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C12CCC2 ZINC001453468811 1067307298 /nfs/dbraw/zinc/30/72/98/1067307298.db2.gz RYVFHTYNXQCVIY-WNGDZKDKSA-N 0 0 456.446 4.579 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001453480369 1067308094 /nfs/dbraw/zinc/30/80/94/1067308094.db2.gz VCMFJVSYTQZGHI-NIYFSFCBSA-N 0 0 458.599 4.685 20 0 JJADRN O=C(CC1CCCC1)NC1CCC(C(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC001459381455 1067308256 /nfs/dbraw/zinc/30/82/56/1067308256.db2.gz JVPHHWWRFVASIU-UHFFFAOYSA-N 0 0 454.533 4.542 20 0 JJADRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC001459379074 1067308317 /nfs/dbraw/zinc/30/83/17/1067308317.db2.gz SFQVSKZHPMQHJP-OAQYLSRUSA-N 0 0 452.558 4.831 20 0 JJADRN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001453480627 1067308412 /nfs/dbraw/zinc/30/84/12/1067308412.db2.gz TXBOYSYRLMRYFV-UHFFFAOYSA-N 0 0 455.486 4.851 20 0 JJADRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 ZINC001453480633 1067308638 /nfs/dbraw/zinc/30/86/38/1067308638.db2.gz UASVZAJEMFJAAH-MRXNPFEDSA-N 0 0 457.568 4.597 20 0 JJADRN COCCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@@H](C)c1ccccc1 ZINC001459380603 1067308805 /nfs/dbraw/zinc/30/88/05/1067308805.db2.gz UIKCYGWLJTZJAH-FNZWTVRRSA-N 0 0 457.014 4.846 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 ZINC001546108453 1067309137 /nfs/dbraw/zinc/30/91/37/1067309137.db2.gz BQLPFOKFCFTOEL-WIYYLYMNSA-N 0 0 461.601 4.770 20 0 JJADRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001459382153 1067309255 /nfs/dbraw/zinc/30/92/55/1067309255.db2.gz ZSNCTDJLFNVMSY-UUOWRZLLSA-N 0 0 459.993 4.684 20 0 JJADRN COc1cccc(Nc2ccc(NC(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)nc2)c1 ZINC001453497166 1067309901 /nfs/dbraw/zinc/30/99/01/1067309901.db2.gz YASYYRPQUSJRTO-UHFFFAOYSA-N 0 0 457.412 4.704 20 0 JJADRN COc1ccccc1CC(C)(C)C(=O)NCc1ccc(I)cc1Cl ZINC001459386109 1067310152 /nfs/dbraw/zinc/31/01/52/1067310152.db2.gz JLCKCCDMJLPXQY-UHFFFAOYSA-N 0 0 457.739 4.838 20 0 JJADRN CC[C@@H](C)n1ncc(C(=O)NCc2ccc(I)cc2Cl)c1C1CC1 ZINC001459386292 1067310192 /nfs/dbraw/zinc/31/01/92/1067310192.db2.gz MDOKEBOJKABVES-LLVKDONJSA-N 0 0 457.743 4.920 20 0 JJADRN CCOC(=O)CN(C(=O)c1cc(Br)cc(Br)c1)c1ccc(C)cc1 ZINC001459386885 1067310206 /nfs/dbraw/zinc/31/02/06/1067310206.db2.gz WTZNWUYPMFNFDH-UHFFFAOYSA-N 0 0 455.146 4.730 20 0 JJADRN CC(C)(C)OC(=O)NC1(CNC(=O)CCCCc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC001453501795 1067310148 /nfs/dbraw/zinc/31/01/48/1067310148.db2.gz GQAMXGABOOOWOF-UHFFFAOYSA-N 0 0 459.414 4.896 20 0 JJADRN O=C(Cc1c[nH]c2cc(Br)ccc12)NCCc1cccc(OCC(F)(F)F)c1 ZINC001459386970 1067310408 /nfs/dbraw/zinc/31/04/08/1067310408.db2.gz YGTKLYVSYSLLFZ-UHFFFAOYSA-N 0 0 455.274 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCCCCCCc3ccccc3)CCC2)CC1 ZINC001453524546 1067310689 /nfs/dbraw/zinc/31/06/89/1067310689.db2.gz WJWIBWWBEDYERT-UHFFFAOYSA-N 0 0 458.643 4.838 20 0 JJADRN CC[C@@]1(C)CC[C@H](Cn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)O1 ZINC001546052359 1067310883 /nfs/dbraw/zinc/31/08/83/1067310883.db2.gz WDIHBOGHGLRCDN-RLWLMLJZSA-N 0 0 453.631 4.975 20 0 JJADRN COCc1csc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 ZINC001453529206 1067310966 /nfs/dbraw/zinc/31/09/66/1067310966.db2.gz YQUCEKNUVXWKIH-UHFFFAOYSA-N 0 0 459.365 4.839 20 0 JJADRN Brc1ccccc1[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CCO1 ZINC001459390423 1067311176 /nfs/dbraw/zinc/31/11/76/1067311176.db2.gz HOBWTOKJSFMYBS-SFHVURJKSA-N 0 0 455.146 4.514 20 0 JJADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)O1 ZINC001546052401 1067311468 /nfs/dbraw/zinc/31/14/68/1067311468.db2.gz WNGVMSGOCZEZHJ-SELNLUPBSA-N 0 0 465.564 4.674 20 0 JJADRN Cc1ccc2nc(C(=O)N3CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)ccc2c1 ZINC001453539692 1067312053 /nfs/dbraw/zinc/31/20/53/1067312053.db2.gz GVJHNIXAOOIPQV-IRXDYDNUSA-N 0 0 451.489 4.709 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)CC[C@H]1C(F)(F)F ZINC001453541283 1067312360 /nfs/dbraw/zinc/31/23/60/1067312360.db2.gz JAZOEZZWFOSVPC-HZPDHXFCSA-N 0 0 453.461 4.507 20 0 JJADRN C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)cccc1F ZINC001453541153 1067312440 /nfs/dbraw/zinc/31/24/40/1067312440.db2.gz IWCPINLKPQXVNI-BFHYXJOUSA-N 0 0 450.448 4.620 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC001453543604 1067312740 /nfs/dbraw/zinc/31/27/40/1067312740.db2.gz MKXBDAGWMLUSLI-PWSUYJOCSA-N 0 0 456.292 4.554 20 0 JJADRN Brc1ccc2nc(CN3CCO[C@@H](c4ccccc4Br)C3)oc2c1 ZINC001459395173 1067312777 /nfs/dbraw/zinc/31/27/77/1067312777.db2.gz PGTWRWUIQRBHAG-QGZVFWFLSA-N 0 0 452.146 4.926 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1[C@H]1CCCO1 ZINC001453549603 1067313658 /nfs/dbraw/zinc/31/36/58/1067313658.db2.gz KMBGGZGFMYKHQK-ZYSHUDEJSA-N 0 0 457.398 4.804 20 0 JJADRN CCOc1cccc(/C=C/C(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001453550565 1067313977 /nfs/dbraw/zinc/31/39/77/1067313977.db2.gz VJHNUTXLVWHSPD-OYEZICKXSA-N 0 0 456.505 4.650 20 0 JJADRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC001453554352 1067314404 /nfs/dbraw/zinc/31/44/04/1067314404.db2.gz WBKVPKAVFOBKJC-INIZCTEOSA-N 0 0 453.421 4.924 20 0 JJADRN CCC1(CC)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSCCCO)C1 ZINC001546108640 1067314414 /nfs/dbraw/zinc/31/44/14/1067314414.db2.gz HUNWOWBLGOJXRS-UHFFFAOYSA-N 0 0 495.734 4.525 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453575117 1067315165 /nfs/dbraw/zinc/31/51/65/1067315165.db2.gz FSLJVXGGKVMDOZ-PFKOEMKTSA-N 0 0 458.643 4.983 20 0 JJADRN CC(C)(COCc1ccccc1)NC(=O)NCCN1CCc2c(ccc(Cl)c2Cl)C1 ZINC001459407684 1067315289 /nfs/dbraw/zinc/31/52/89/1067315289.db2.gz VKGZNJQBCFORCB-UHFFFAOYSA-N 0 0 450.410 4.646 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3)cs2)o1 ZINC001453578128 1067315549 /nfs/dbraw/zinc/31/55/49/1067315549.db2.gz NSBYKWZMCYQBER-VQTJNVASSA-N 0 0 467.591 4.773 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC001453577490 1067315735 /nfs/dbraw/zinc/31/57/35/1067315735.db2.gz MRUSHGZHSJGUCT-FCHUYYIVSA-N 0 0 466.969 4.659 20 0 JJADRN Cn1nc(C(F)F)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3)sc21 ZINC001453579950 1067315863 /nfs/dbraw/zinc/31/58/63/1067315863.db2.gz HGLMKZORRFNCMO-JKSUJKDBSA-N 0 0 476.549 4.705 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001459412335 1067316434 /nfs/dbraw/zinc/31/64/34/1067316434.db2.gz LDIRVLDQCCMLIZ-GOSISDBHSA-N 0 0 450.970 4.542 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(Br)c2F)C1 ZINC001453583338 1067316480 /nfs/dbraw/zinc/31/64/80/1067316480.db2.gz ZOPYHHPHVULJMH-FUHWJXTLSA-N 0 0 463.347 4.721 20 0 JJADRN COc1ccc(Br)cc1-c1nc(C(=O)N[C@]2(CO)CCCC(C)(C)C2)cs1 ZINC001453585820 1067316682 /nfs/dbraw/zinc/31/66/82/1067316682.db2.gz IKCZVRYQWNEMBW-HXUWFJFHSA-N 0 0 453.402 4.642 20 0 JJADRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@@H](C)C1 ZINC001459412217 1067316747 /nfs/dbraw/zinc/31/67/47/1067316747.db2.gz JSGFXALLOJRYRW-KRWDZBQOSA-N 0 0 453.970 4.642 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cc(F)c(Br)cc1F ZINC001453599714 1067316948 /nfs/dbraw/zinc/31/69/48/1067316948.db2.gz DXFSKHGVVYSDPU-SNVBAGLBSA-N 0 0 459.287 4.836 20 0 JJADRN COc1cc(/C=C(/C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c2ccccc2)ccc1O ZINC001453596660 1067317189 /nfs/dbraw/zinc/31/71/89/1067317189.db2.gz MNFJFLWVIFFMQQ-JRCPDGGCSA-N 0 0 451.563 4.768 20 0 JJADRN CCCOc1ccc(C(C)(C)NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC001459413060 1067317334 /nfs/dbraw/zinc/31/73/34/1067317334.db2.gz BOOXKPBZYDOSAO-UHFFFAOYSA-N 0 0 458.624 4.705 20 0 JJADRN Cc1cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001453604485 1067318157 /nfs/dbraw/zinc/31/81/57/1067318157.db2.gz ZVCPEUGZOLNPTK-KDOFPFPSSA-N 0 0 451.489 4.639 20 0 JJADRN Cc1cc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001453604499 1067318181 /nfs/dbraw/zinc/31/81/81/1067318181.db2.gz ZVCPEUGZOLNPTK-RDTXWAMCSA-N 0 0 451.489 4.639 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)N2CCOCC2)O1 ZINC001546053425 1067318632 /nfs/dbraw/zinc/31/86/32/1067318632.db2.gz AKWNTUURMLWKLE-YZIHRLCOSA-N 0 0 489.730 4.786 20 0 JJADRN C[C@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001453607651 1067318660 /nfs/dbraw/zinc/31/86/60/1067318660.db2.gz LYEGAGJVVRUZGB-OXJNMPFZSA-N 0 0 455.555 4.878 20 0 JJADRN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001459415669 1067318564 /nfs/dbraw/zinc/31/85/64/1067318564.db2.gz IQPXTVKFXWXFQC-HNNXBMFYSA-N 0 0 452.001 4.514 20 0 JJADRN CCc1cc2oc(=O)cc(CN3CCN(C(=O)CCCc4ccccc4)CC3)c2cc1Cl ZINC001459415390 1067318623 /nfs/dbraw/zinc/31/86/23/1067318623.db2.gz KFSACYYVBNIAKM-UHFFFAOYSA-N 0 0 452.982 4.676 20 0 JJADRN C[C@H](CSCc1ccccc1)C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001453607300 1067318768 /nfs/dbraw/zinc/31/87/68/1067318768.db2.gz PGDMASCLLYGSNJ-YLJYHZDGSA-N 0 0 456.574 4.595 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)O1 ZINC001546053589 1067319513 /nfs/dbraw/zinc/31/95/13/1067319513.db2.gz CMKQOGSIXGWZBW-UUOWRZLLSA-N 0 0 459.516 4.665 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(F)(F)CC2)O1 ZINC001546053622 1067319614 /nfs/dbraw/zinc/31/96/14/1067319614.db2.gz DAZRBLDZDZVMIY-CYFREDJKSA-N 0 0 497.631 4.976 20 0 JJADRN CC(C)n1ncc(C(=O)N[C@H]2CC(C)(C)CCc3ccccc32)c1I ZINC001459418380 1067319756 /nfs/dbraw/zinc/31/97/56/1067319756.db2.gz ZCSKIBNGEOPYJL-KRWDZBQOSA-N 0 0 451.352 4.902 20 0 JJADRN CCc1cc(Br)cc2sc(NC(=O)[C@]3(C(=O)OC)C[C@H]3c3ccccc3)nc21 ZINC001459422032 1067320500 /nfs/dbraw/zinc/32/05/00/1067320500.db2.gz MPYGOWZJVYSWQC-BTYIYWSLSA-N 0 0 459.365 4.907 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001453646044 1067320448 /nfs/dbraw/zinc/32/04/48/1067320448.db2.gz XVOFLNGQYOSPIN-KRWDZBQOSA-N 0 0 451.445 4.932 20 0 JJADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC(F)F)c2)O1 ZINC001546053732 1067320672 /nfs/dbraw/zinc/32/06/72/1067320672.db2.gz FCCPVUNQDMWHLH-MFSJNOQSSA-N 0 0 464.557 4.758 20 0 JJADRN C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)Cn1c2ccccc2nc1SC(F)F ZINC001453671041 1067320977 /nfs/dbraw/zinc/32/09/77/1067320977.db2.gz CLAVXXVWZBSUEN-ORAYPTAESA-N 0 0 451.926 4.993 20 0 JJADRN CSc1ccc(CCCC(=O)NCCOc2ccc(I)cc2)cc1 ZINC001459423281 1067321355 /nfs/dbraw/zinc/32/13/55/1067321355.db2.gz IAZRVBIFTNPZOQ-UHFFFAOYSA-N 0 0 455.361 4.531 20 0 JJADRN CC(C)OCc1ccc(CNC(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC001459422984 1067321397 /nfs/dbraw/zinc/32/13/97/1067321397.db2.gz CABQDDBTHCTPPD-JOCHJYFZSA-N 0 0 451.394 4.608 20 0 JJADRN CCN(CC1CCC1)C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C ZINC001459423072 1067321469 /nfs/dbraw/zinc/32/14/69/1067321469.db2.gz CRCIHMVWMFLRPT-UHFFFAOYSA-N 0 0 458.624 4.546 20 0 JJADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001453675787 1067321484 /nfs/dbraw/zinc/32/14/84/1067321484.db2.gz DCEKNSQEGOVCPP-WUUXGELPSA-N 0 0 452.498 4.909 20 0 JJADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@@H](C(F)F)C1CCCCC1 ZINC001453682767 1067321836 /nfs/dbraw/zinc/32/18/36/1067321836.db2.gz BDBQPHFXRHSTAF-GOSISDBHSA-N 0 0 455.596 4.839 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)C1 ZINC001459425216 1067322609 /nfs/dbraw/zinc/32/26/09/1067322609.db2.gz JJMNXMRROQUVPJ-AREMUKBSSA-N 0 0 454.615 4.847 20 0 JJADRN CCCCCOc1ccc(C(=O)NCCOc2ccc(I)cc2)cc1 ZINC001459425798 1067322787 /nfs/dbraw/zinc/32/27/87/1067322787.db2.gz QXPDNHDXHCKLOS-UHFFFAOYSA-N 0 0 453.320 4.669 20 0 JJADRN C[C@@](CO)(NC(=O)Cc1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1 ZINC001453696748 1067323354 /nfs/dbraw/zinc/32/33/54/1067323354.db2.gz JGAWXDMJVCODLQ-KRWDZBQOSA-N 0 0 450.682 4.688 20 0 JJADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001453705906 1067323974 /nfs/dbraw/zinc/32/39/74/1067323974.db2.gz JXFTYCVRONKZRK-KRWDZBQOSA-N 0 0 457.785 4.773 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 ZINC001459433906 1067324445 /nfs/dbraw/zinc/32/44/45/1067324445.db2.gz BZFPZNALANGNOB-UHFFFAOYSA-N 0 0 457.489 4.766 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cc2)C1 ZINC001546108883 1067324473 /nfs/dbraw/zinc/32/44/73/1067324473.db2.gz NCQWOJLARGSKKF-NRFANRHFSA-N 0 0 487.620 4.790 20 0 JJADRN O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001459429640 1067324566 /nfs/dbraw/zinc/32/45/66/1067324566.db2.gz UXVOCCRUAUQUPE-KXBFYZLASA-N 0 0 450.284 4.825 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2ccc(OC)c(C)c2)sc2c1CC[C@H](C)C2 ZINC001459436390 1067325127 /nfs/dbraw/zinc/32/51/27/1067325127.db2.gz HQJCBVHNKCWYNG-RDJZCZTQSA-N 0 0 458.624 4.826 20 0 JJADRN C[C@@H](CC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001453735881 1067325278 /nfs/dbraw/zinc/32/52/78/1067325278.db2.gz NMLZHZMNFZWRMT-GHTZIAJQSA-N 0 0 452.599 4.649 20 0 JJADRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOc4ccccc4[C@@H]3C)ccc2C)cc1 ZINC001453736332 1067325294 /nfs/dbraw/zinc/32/52/94/1067325294.db2.gz JSPHYUQILCXUJO-IBGZPJMESA-N 0 0 450.560 4.700 20 0 JJADRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001459442317 1067325389 /nfs/dbraw/zinc/32/53/89/1067325389.db2.gz BILYLDOELLSXAO-UHFFFAOYSA-N 0 0 458.367 4.820 20 0 JJADRN Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCN(C(=O)OCC(C)C)CC3)cc2)c1 ZINC001459438461 1067325392 /nfs/dbraw/zinc/32/53/92/1067325392.db2.gz UNUZQQQMSOIASI-UHFFFAOYSA-N 0 0 455.624 4.803 20 0 JJADRN CON(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001453740148 1067325890 /nfs/dbraw/zinc/32/58/90/1067325890.db2.gz QKLNTRXLWIGNIL-NSHDSACASA-N 0 0 455.376 4.764 20 0 JJADRN Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC001453742311 1067325918 /nfs/dbraw/zinc/32/59/18/1067325918.db2.gz HHGXIGJAHSEAEB-SFHVURJKSA-N 0 0 453.167 4.938 20 0 JJADRN O=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1cccc(C(F)F)c1 ZINC001453742270 1067326144 /nfs/dbraw/zinc/32/61/44/1067326144.db2.gz ZJQYZNOUBNHJND-UHFFFAOYSA-N 0 0 452.299 4.813 20 0 JJADRN CC/C(=C\C(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001453744908 1067326325 /nfs/dbraw/zinc/32/63/25/1067326325.db2.gz SBLUMCCUGDCCCZ-SFZDQAMXSA-N 0 0 454.368 4.890 20 0 JJADRN COc1ccc(/C=C(\C)C(=O)N[C@H](c2nccn2C)c2ccc(Br)cc2)cc1F ZINC001453742535 1067326344 /nfs/dbraw/zinc/32/63/44/1067326344.db2.gz KJHBODNSTUMVEG-PKHIPVCBSA-N 0 0 458.331 4.639 20 0 JJADRN COc1ccc(/C=C(/C)C(=O)N[C@@H](c2nccn2C)c2ccc(Br)cc2)cc1F ZINC001453742543 1067326441 /nfs/dbraw/zinc/32/64/41/1067326441.db2.gz KJHBODNSTUMVEG-XYELWLDHSA-N 0 0 458.331 4.639 20 0 JJADRN CC/C(=C\C(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC001453744906 1067326508 /nfs/dbraw/zinc/32/65/08/1067326508.db2.gz SBLUMCCUGDCCCZ-BQXQKYNTSA-N 0 0 454.368 4.890 20 0 JJADRN CC(C)(C)N1C[C@H](CNC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)CC1=O ZINC001453745461 1067326686 /nfs/dbraw/zinc/32/66/86/1067326686.db2.gz WQUZZDIIQPXROW-KRWDZBQOSA-N 0 0 450.970 4.570 20 0 JJADRN Cn1ccnc1[C@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC001453749007 1067327035 /nfs/dbraw/zinc/32/70/35/1067327035.db2.gz SALOCVUXWGCEIR-JPMGXVIASA-N 0 0 453.365 4.711 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1CCn2nccc2C1 ZINC001453763227 1067327500 /nfs/dbraw/zinc/32/75/00/1067327500.db2.gz IZEINQQTTBTPFG-CBQOVEMMSA-N 0 0 455.624 4.635 20 0 JJADRN CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(F)cccc3OC)CC2)O1 ZINC001546054599 1067327543 /nfs/dbraw/zinc/32/75/43/1067327543.db2.gz PLWIYQBMKJRYGQ-SIBVEZHUSA-N 0 0 473.637 4.689 20 0 JJADRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1CCn2nccc2C1 ZINC001453763230 1067327746 /nfs/dbraw/zinc/32/77/46/1067327746.db2.gz IZEINQQTTBTPFG-KAGYGMCKSA-N 0 0 455.624 4.635 20 0 JJADRN O=C1[C@@H](N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC001459455457 1067327732 /nfs/dbraw/zinc/32/77/32/1067327732.db2.gz LKPGLJOKVLKPKO-LEWJYISDSA-N 0 0 452.904 4.910 20 0 JJADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001459455924 1067327993 /nfs/dbraw/zinc/32/79/93/1067327993.db2.gz TVQHBGMXFLVIRJ-SFHVURJKSA-N 0 0 456.612 4.568 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC001453763706 1067328015 /nfs/dbraw/zinc/32/80/15/1067328015.db2.gz ABVXYTCXQHDPFA-ROUUACIJSA-N 0 0 455.368 4.538 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC001453763709 1067328124 /nfs/dbraw/zinc/32/81/24/1067328124.db2.gz ABVXYTCXQHDPFA-ZWKOTPCHSA-N 0 0 455.368 4.538 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(-c2cn3c(n2)N(C(=O)CC2(O)CCCCC2)CCC3)c1 ZINC001453772245 1067328845 /nfs/dbraw/zinc/32/88/45/1067328845.db2.gz JRTLSEHBBQSNAY-UHFFFAOYSA-N 0 0 454.571 4.719 20 0 JJADRN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001453772590 1067328926 /nfs/dbraw/zinc/32/89/26/1067328926.db2.gz OYPQRTLUOBDZGV-XGCWNURASA-N 0 0 458.324 4.762 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001459458960 1067328999 /nfs/dbraw/zinc/32/89/99/1067328999.db2.gz VGTCZKUHDGRWEQ-JLTOFOAXSA-N 0 0 451.792 4.875 20 0 JJADRN CCC(C)(C)c1ccc(C(=O)N2CCc3[nH]cnc3[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001453775586 1067329235 /nfs/dbraw/zinc/32/92/35/1067329235.db2.gz QCVXNWPBSFKEBI-SANMLTNESA-N 0 0 452.599 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H](c2cccc(F)c2)C1 ZINC001459459963 1067329471 /nfs/dbraw/zinc/32/94/71/1067329471.db2.gz AGCAPQAMRLTJKD-OAQYLSRUSA-N 0 0 451.498 4.915 20 0 JJADRN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001459461121 1067329498 /nfs/dbraw/zinc/32/94/98/1067329498.db2.gz AAZJUQKFGISKNB-MOPGFXCFSA-N 0 0 456.739 4.919 20 0 JJADRN Cc1cc(F)cc2c1CN(C(=O)c1cnn(-c3ncccc3Cl)c1C(F)(F)Cl)CC2 ZINC001459461862 1067329797 /nfs/dbraw/zinc/32/97/97/1067329797.db2.gz SXRYQDCNLBZENV-UHFFFAOYSA-N 0 0 455.267 4.855 20 0 JJADRN COC(=O)[C@@H](Cc1ccccc1O)NC(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C ZINC001453786827 1067329856 /nfs/dbraw/zinc/32/98/56/1067329856.db2.gz NBAYAOLDADNXBG-RHULVCCYSA-N 0 0 462.373 4.798 20 0 JJADRN CC[C@@H](C)n1c(SCC(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)nnc1-c1ccccc1 ZINC001453788142 1067329868 /nfs/dbraw/zinc/32/98/68/1067329868.db2.gz SUTCLVOQWYHNQB-OSPHWJPCSA-N 0 0 458.628 4.731 20 0 JJADRN CCOc1ccc(Br)cc1CN(C[C@H]1CN(C2CCCCC2)C(=O)O1)C1CC1 ZINC001459463307 1067330495 /nfs/dbraw/zinc/33/04/95/1067330495.db2.gz IBDYALSZWFKATH-FQEVSTJZSA-N 0 0 451.405 4.966 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cn1 ZINC001459464103 1067330726 /nfs/dbraw/zinc/33/07/26/1067330726.db2.gz DCZUKKVPTCKGFS-SANMLTNESA-N 0 0 450.583 4.713 20 0 JJADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCc4cc(F)cc(C)c4C3)cc2)c1 ZINC001459463820 1067330883 /nfs/dbraw/zinc/33/08/83/1067330883.db2.gz YTVBVUZHKUTERV-UHFFFAOYSA-N 0 0 453.535 4.717 20 0 JJADRN CN(c1ccccc1)c1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)cn1 ZINC001459464100 1067330915 /nfs/dbraw/zinc/33/09/15/1067330915.db2.gz DCZUKKVPTCKGFS-AREMUKBSSA-N 0 0 450.583 4.713 20 0 JJADRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)C1 ZINC001453820401 1067330946 /nfs/dbraw/zinc/33/09/46/1067330946.db2.gz LADHZZFZLMMSNR-AVRDEDQJSA-N 0 0 458.496 4.834 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3cccc(OCc4cccnc4)c3)C2)C1 ZINC001459466255 1067331272 /nfs/dbraw/zinc/33/12/72/1067331272.db2.gz IBNAZSSKJREDKX-SANMLTNESA-N 0 0 451.567 4.524 20 0 JJADRN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001459466136 1067331346 /nfs/dbraw/zinc/33/13/46/1067331346.db2.gz KXEBHCNEPNHULO-AREMUKBSSA-N 0 0 454.973 4.909 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)[C@H](c2ccccc2Cl)C1 ZINC001459467408 1067331821 /nfs/dbraw/zinc/33/18/21/1067331821.db2.gz PMZJSFHCRCBCBR-NRFANRHFSA-N 0 0 454.954 4.936 20 0 JJADRN CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001459466614 1067331945 /nfs/dbraw/zinc/33/19/45/1067331945.db2.gz LGSQSLQRPCFHOZ-ISKFKSNPSA-N 0 0 451.586 4.524 20 0 JJADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3OC(C)(C)CC4)c2)C1 ZINC001453845591 1067332345 /nfs/dbraw/zinc/33/23/45/1067332345.db2.gz ZMVLOORDLIPYQO-HDICACEKSA-N 0 0 456.608 4.709 20 0 JJADRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC001459468799 1067332281 /nfs/dbraw/zinc/33/22/81/1067332281.db2.gz RLPVWKFGIQSKQG-HSZRJFAPSA-N 0 0 454.567 4.700 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC001459468627 1067332390 /nfs/dbraw/zinc/33/23/90/1067332390.db2.gz OEVAVKJRRISUMC-HRAATJIYSA-N 0 0 455.400 4.666 20 0 JJADRN O=C([C@H](Oc1ccccc1Br)c1ccccc1)N1CCO[C@H](CC(F)(F)F)C1 ZINC001453875724 1067333042 /nfs/dbraw/zinc/33/30/42/1067333042.db2.gz AFAIXXDXTHIRFJ-CRAIPNDOSA-N 0 0 458.274 4.749 20 0 JJADRN Cc1ccccc1COCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl ZINC001459470364 1067333233 /nfs/dbraw/zinc/33/32/33/1067333233.db2.gz WKILFTRILDEKOF-JOCHJYFZSA-N 0 0 458.986 4.986 20 0 JJADRN C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC001453876961 1067333388 /nfs/dbraw/zinc/33/33/88/1067333388.db2.gz RXQNDFZQBDLTJH-SCYVGKGRSA-N 0 0 473.358 4.716 20 0 JJADRN COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccsc3Br)s2)cc1 ZINC001459472031 1067333817 /nfs/dbraw/zinc/33/38/17/1067333817.db2.gz YHRIQFSYZWPRAW-UHFFFAOYSA-N 0 0 451.367 4.763 20 0 JJADRN Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)c2ccccn12 ZINC001459471289 1067333845 /nfs/dbraw/zinc/33/38/45/1067333845.db2.gz ZYFLAXUHLXXTEO-FQEVSTJZSA-N 0 0 454.958 4.730 20 0 JJADRN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl ZINC001453879938 1067333932 /nfs/dbraw/zinc/33/39/32/1067333932.db2.gz BTQIKFLPYQVFQC-GOEBONIOSA-N 0 0 470.422 4.660 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc21 ZINC001453887186 1067334046 /nfs/dbraw/zinc/33/40/46/1067334046.db2.gz IGUHVKGWFDGFNJ-LJQANCHMSA-N 0 0 451.350 4.754 20 0 JJADRN Cc1nn(CC(=O)OCc2nnc(C(C)(C)C)s2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001459475141 1067334182 /nfs/dbraw/zinc/33/41/82/1067334182.db2.gz BTSQCEXNQHGGEX-UHFFFAOYSA-N 0 0 455.506 4.774 20 0 JJADRN C[C@@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C[C@H](CC(F)(F)F)O1 ZINC001453894489 1067334481 /nfs/dbraw/zinc/33/44/81/1067334481.db2.gz GYHZOBIGBHUBGC-PWSUYJOCSA-N 0 0 453.244 4.742 20 0 JJADRN CC1(C)CCC[C@@H]1CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC001453891565 1067334548 /nfs/dbraw/zinc/33/45/48/1067334548.db2.gz APVIFUYQSKSUMC-APWZRJJASA-N 0 0 453.396 4.916 20 0 JJADRN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001459476068 1067334657 /nfs/dbraw/zinc/33/46/57/1067334657.db2.gz LEUCPALDLHTSJR-PMACEKPBSA-N 0 0 453.583 4.995 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)[C@@H](c2ccncc2)C1 ZINC001459477536 1067334894 /nfs/dbraw/zinc/33/48/94/1067334894.db2.gz HNPFCLSFUCKVSE-GOSISDBHSA-N 0 0 458.990 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)[C@H](c2ccncc2)C1 ZINC001459477543 1067334931 /nfs/dbraw/zinc/33/49/31/1067334931.db2.gz HNPFCLSFUCKVSE-SFHVURJKSA-N 0 0 458.990 4.862 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)Oc2ccc3oc(=O)oc3c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001459478287 1067335345 /nfs/dbraw/zinc/33/53/45/1067335345.db2.gz KAKRGYMKNLLKOL-SJORKVTESA-N 0 0 459.882 4.596 20 0 JJADRN Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC001459484180 1067336242 /nfs/dbraw/zinc/33/62/42/1067336242.db2.gz LROXGJARCJAJFP-MRXNPFEDSA-N 0 0 451.792 4.523 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 ZINC001459481670 1067336358 /nfs/dbraw/zinc/33/63/58/1067336358.db2.gz QGEWWTGYCVNOPH-QGZVFWFLSA-N 0 0 456.384 4.992 20 0 JJADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC001459485448 1067336645 /nfs/dbraw/zinc/33/66/45/1067336645.db2.gz LZAOYWGYSLVHFE-ZWKOTPCHSA-N 0 0 456.537 4.667 20 0 JJADRN CC[C@@H](c1ccc(F)cc1F)N1CCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1 ZINC001459498951 1067339136 /nfs/dbraw/zinc/33/91/36/1067339136.db2.gz WVSTUIUFQMCPRG-NRFANRHFSA-N 0 0 458.578 4.696 20 0 JJADRN Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001459509303 1067341003 /nfs/dbraw/zinc/34/10/03/1067341003.db2.gz LROVDDUZFDHGIB-QHCPKHFHSA-N 0 0 457.574 4.627 20 0 JJADRN COc1cc(N2CCN(C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccn3)CC2)ccc1F ZINC001459507834 1067341028 /nfs/dbraw/zinc/34/10/28/1067341028.db2.gz CIPMWYIUEBGUHR-UHFFFAOYSA-N 0 0 459.443 4.878 20 0 JJADRN CCN(Cc1ccccc1Br)C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC001459508797 1067341093 /nfs/dbraw/zinc/34/10/93/1067341093.db2.gz CSDNSTFCWMZRPL-QHCPKHFHSA-N 0 0 459.384 4.846 20 0 JJADRN CCc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Br)c(C)c3)CC2)s1 ZINC001459510526 1067341480 /nfs/dbraw/zinc/34/14/80/1067341480.db2.gz CVUDAXPJNPGXSH-INIZCTEOSA-N 0 0 450.446 4.526 20 0 JJADRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)n3)CC2)c1 ZINC001459509467 1067341702 /nfs/dbraw/zinc/34/17/02/1067341702.db2.gz FBGSONXFMUHPGF-UHFFFAOYSA-N 0 0 459.518 4.547 20 0 JJADRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC001459513799 1067342262 /nfs/dbraw/zinc/34/22/62/1067342262.db2.gz POCVPKTVSPJEIP-UHFFFAOYSA-N 0 0 453.336 4.963 20 0 JJADRN CCc1nc2cc(CNC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCCC3(C)C)ccc2n1C1CC1 ZINC001459518654 1067342981 /nfs/dbraw/zinc/34/29/81/1067342981.db2.gz KTGNIWLANISVEV-QFIPXVFZSA-N 0 0 454.615 4.976 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CC[C@@H](c3ccccn3)C2)c1)c1ccc(Br)cc1 ZINC001459523776 1067344161 /nfs/dbraw/zinc/34/41/61/1067344161.db2.gz HMYMZWFOPNYZJD-GOSISDBHSA-N 0 0 450.336 4.726 20 0 JJADRN COc1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cnc1Br ZINC001459525803 1067344624 /nfs/dbraw/zinc/34/46/24/1067344624.db2.gz KNVAPZRBTMWCTI-UHFFFAOYSA-N 0 0 454.162 4.635 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(-c3ccco3)cc1F)C2=O ZINC001459528854 1067345371 /nfs/dbraw/zinc/34/53/71/1067345371.db2.gz RJKBTWKQGQRMEF-UHFFFAOYSA-N 0 0 455.530 4.941 20 0 JJADRN COc1ccc2oc(C)c(C(=O)NCc3ccc(I)c(Cl)c3)c2c1 ZINC001459529245 1067345836 /nfs/dbraw/zinc/34/58/36/1067345836.db2.gz OWPZLFUWILZXGR-UHFFFAOYSA-N 0 0 455.679 4.938 20 0 JJADRN Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccc(I)c(Cl)c1 ZINC001459532641 1067346587 /nfs/dbraw/zinc/34/65/87/1067346587.db2.gz XIVXYCQSGKPZIA-UHFFFAOYSA-N 0 0 452.679 4.838 20 0 JJADRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccncc1OCC(F)(F)F ZINC001459532052 1067346600 /nfs/dbraw/zinc/34/66/00/1067346600.db2.gz PKPBFQUSDDHATI-UHFFFAOYSA-N 0 0 455.889 4.582 20 0 JJADRN COc1cc(C(=O)N(Cc2ccc(OC)cc2OC)[C@H](C)C2CC2)sc1Br ZINC001459532501 1067346640 /nfs/dbraw/zinc/34/66/40/1067346640.db2.gz QUJLJNMJDDJITF-GFCCVEGCSA-N 0 0 454.386 4.977 20 0 JJADRN O=C(Nc1cccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1)[C@H]1CCCO1 ZINC001459532057 1067346686 /nfs/dbraw/zinc/34/66/86/1067346686.db2.gz XBDGRPLNVJFJGJ-OAQYLSRUSA-N 0 0 457.368 4.586 20 0 JJADRN O=C(Cc1csc2ccc(Br)cc12)NCc1ccncc1OCC(F)(F)F ZINC001459535444 1067347328 /nfs/dbraw/zinc/34/73/28/1067347328.db2.gz XWEGRTMVIQDRSY-UHFFFAOYSA-N 0 0 459.287 4.859 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3C[C@@H](C)CC[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459540933 1067347964 /nfs/dbraw/zinc/34/79/64/1067347964.db2.gz LLKFMWMEKQLJOQ-IRXDYDNUSA-N 0 0 455.624 4.947 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001459547463 1067348974 /nfs/dbraw/zinc/34/89/74/1067348974.db2.gz HLEUFMBQSHHHNG-XUEUYAKLSA-N 0 0 457.442 4.936 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC001459552736 1067349356 /nfs/dbraw/zinc/34/93/56/1067349356.db2.gz BQNZYCFETXGQFG-SFHVURJKSA-N 0 0 451.869 4.625 20 0 JJADRN CCN(CC1CCN(Cc2nc(COc3cc(C)cc(C)c3)no2)CC1)C(=O)OC(C)(C)C ZINC001459554050 1067349696 /nfs/dbraw/zinc/34/96/96/1067349696.db2.gz ABSPLYOVTMOARC-UHFFFAOYSA-N 0 0 458.603 4.734 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001459553112 1067349837 /nfs/dbraw/zinc/34/98/37/1067349837.db2.gz ZEFVGDSMBHSGBD-JKSUJKDBSA-N 0 0 459.295 4.679 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(c2ccc(OC)cc2)CC1 ZINC001459557150 1067350395 /nfs/dbraw/zinc/35/03/95/1067350395.db2.gz FUVHBZQZNUBXKG-UHFFFAOYSA-N 0 0 451.350 4.607 20 0 JJADRN Cc1cc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)cc1I ZINC001459558521 1067350557 /nfs/dbraw/zinc/35/05/57/1067350557.db2.gz WHVVCWSUBILQSO-KRWDZBQOSA-N 0 0 458.384 4.739 20 0 JJADRN CCN(CC1CCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459560113 1067351461 /nfs/dbraw/zinc/35/14/61/1067351461.db2.gz KJOIRLBYFVQYSG-FQEVSTJZSA-N 0 0 453.986 4.553 20 0 JJADRN CCOC(=O)c1c(CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562107 1067351989 /nfs/dbraw/zinc/35/19/89/1067351989.db2.gz BZRBEIPKBYZLHW-OAHLLOKOSA-N 0 0 450.498 4.846 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)OCc3cc(Cl)ccc3OCC3CC3)CCC(=O)N2C)cc1 ZINC001459566210 1067353252 /nfs/dbraw/zinc/35/32/52/1067353252.db2.gz ASARVDKQIAXZKW-URXFXBBRSA-N 0 0 457.954 4.790 20 0 JJADRN O=C(CCc1ncc(-c2ccccc2F)o1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001459565220 1067353329 /nfs/dbraw/zinc/35/33/29/1067353329.db2.gz SVSFDNRJAUZVOQ-INIZCTEOSA-N 0 0 458.331 4.571 20 0 JJADRN CC(C)[C@H](CCN(C)CC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)OC(C)(C)C ZINC001459566917 1067353965 /nfs/dbraw/zinc/35/39/65/1067353965.db2.gz WUGJSFLGUFDMBN-HNNXBMFYSA-N 0 0 452.646 4.681 20 0 JJADRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Oc1cc(Br)cc(F)c1F ZINC001459569686 1067354418 /nfs/dbraw/zinc/35/44/18/1067354418.db2.gz LFTDXBLICYIFPI-UHFFFAOYSA-N 0 0 452.207 4.557 20 0 JJADRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)c1ccc(Br)s1 ZINC001459570186 1067354448 /nfs/dbraw/zinc/35/44/48/1067354448.db2.gz AMWPNQPSUUGXST-NSHDSACASA-N 0 0 457.187 4.819 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)cc2C1 ZINC001459579823 1067355869 /nfs/dbraw/zinc/35/58/69/1067355869.db2.gz AXADBFZFYSSBDZ-AZUAARDMSA-N 0 0 457.368 4.986 20 0 JJADRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001459576963 1067355963 /nfs/dbraw/zinc/35/59/63/1067355963.db2.gz YVBPTSSSIROEMV-UHFFFAOYSA-N 0 0 457.324 4.698 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 ZINC001459582563 1067357083 /nfs/dbraw/zinc/35/70/83/1067357083.db2.gz JRHMZRCQQUZJTI-UHFFFAOYSA-N 0 0 451.548 4.808 20 0 JJADRN CC(C)[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccc(F)cc1 ZINC001459590478 1067358564 /nfs/dbraw/zinc/35/85/64/1067358564.db2.gz RLWMYCOSWBPGTN-OAQYLSRUSA-N 0 0 451.355 4.811 20 0 JJADRN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cs1 ZINC001459590154 1067358674 /nfs/dbraw/zinc/35/86/74/1067358674.db2.gz FNFMRFJUZUQLQX-HXUWFJFHSA-N 0 0 452.624 4.532 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC001459589489 1067358734 /nfs/dbraw/zinc/35/87/34/1067358734.db2.gz ONVZAFYRBAJGCM-AWEZNQCLSA-N 0 0 459.331 4.769 20 0 JJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)CN(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC001459594286 1067359386 /nfs/dbraw/zinc/35/93/86/1067359386.db2.gz MENAIZXGTBZKHY-NZQKXSOJSA-N 0 0 450.620 4.771 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)cc2s1 ZINC001459593687 1067359585 /nfs/dbraw/zinc/35/95/85/1067359585.db2.gz NANBJTGISVMDOV-AWEZNQCLSA-N 0 0 458.609 4.994 20 0 JJADRN CCCc1cc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)ccc1Cl ZINC001459596753 1067360137 /nfs/dbraw/zinc/36/01/37/1067360137.db2.gz LVUCPMNDODMKEE-UHFFFAOYSA-N 0 0 459.974 4.799 20 0 JJADRN O=C(Oc1ccccc1)N1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC001459602851 1067360773 /nfs/dbraw/zinc/36/07/73/1067360773.db2.gz UZSDRCBYMFNMHO-UHFFFAOYSA-N 0 0 456.340 4.811 20 0 JJADRN Cn1cc(/C=C\C(=O)Nc2sc3c(c2C(=O)c2ccc(Br)cc2)CCC3)cn1 ZINC001459606833 1067361624 /nfs/dbraw/zinc/36/16/24/1067361624.db2.gz DPVWGRDYGFUUNU-YHYXMXQVSA-N 0 0 456.365 4.616 20 0 JJADRN CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(Br)cc3Cl)CC2)cs1 ZINC001459609254 1067362301 /nfs/dbraw/zinc/36/23/01/1067362301.db2.gz LRCQGVBTTDENTJ-CQSZACIVSA-N 0 0 458.853 4.974 20 0 JJADRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)C1 ZINC001459610057 1067362961 /nfs/dbraw/zinc/36/29/61/1067362961.db2.gz XLIJBSZLBSYFMY-SFHVURJKSA-N 0 0 451.473 4.572 20 0 JJADRN C[C@H]1CCCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001459610894 1067363079 /nfs/dbraw/zinc/36/30/79/1067363079.db2.gz QJWDRLNISXJQLZ-GOEBONIOSA-N 0 0 458.584 4.782 20 0 JJADRN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC001459610431 1067363171 /nfs/dbraw/zinc/36/31/71/1067363171.db2.gz APJCTOYAPXYRDU-YOEHRIQHSA-N 0 0 453.366 4.881 20 0 JJADRN Cc1ccc(N2CCN(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@@H](C)C2)cc1C ZINC001459612017 1067363845 /nfs/dbraw/zinc/36/38/45/1067363845.db2.gz VEDPZEQPIVHEID-QFIPXVFZSA-N 0 0 459.638 4.936 20 0 JJADRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC001459613156 1067364163 /nfs/dbraw/zinc/36/41/63/1067364163.db2.gz AMZRKBLJJGANTB-UHFFFAOYSA-N 0 0 453.970 4.933 20 0 JJADRN CN(C)S(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)cc1 ZINC001459617385 1067365230 /nfs/dbraw/zinc/36/52/30/1067365230.db2.gz GBDHKCTWWJGXNL-FRKPEAEDSA-N 0 0 454.979 4.934 20 0 JJADRN COc1ccc(CCC(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1OC ZINC001459616459 1067365413 /nfs/dbraw/zinc/36/54/13/1067365413.db2.gz MQNGJZINCVANGV-INIZCTEOSA-N 0 0 459.539 4.836 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001459619110 1067365642 /nfs/dbraw/zinc/36/56/42/1067365642.db2.gz TYLAFKBISFZKJJ-BMGDILEWSA-N 0 0 455.794 4.834 20 0 JJADRN O=C(N(CCc1ccccn1)Cc1ccncc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459617473 1067365671 /nfs/dbraw/zinc/36/56/71/1067365671.db2.gz QWWQSLBCXXWISG-UHFFFAOYSA-N 0 0 455.480 4.969 20 0 JJADRN CCc1ccccc1O[C@H](C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)c1ccccc1 ZINC001459619162 1067365682 /nfs/dbraw/zinc/36/56/82/1067365682.db2.gz STSPWYAGARSIHB-QHCPKHFHSA-N 0 0 457.530 4.843 20 0 JJADRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)COc2cccc(Br)c2)n1 ZINC001459620334 1067366017 /nfs/dbraw/zinc/36/60/17/1067366017.db2.gz UWFRKEZZHIMTGG-UHFFFAOYSA-N 0 0 456.218 4.844 20 0 JJADRN CC[C@H](C)[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)C(F)(F)F ZINC001459621187 1067366283 /nfs/dbraw/zinc/36/62/83/1067366283.db2.gz YEFAWWPBSUALEC-VBKZILBWSA-N 0 0 457.456 4.841 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1 ZINC001459628254 1067367828 /nfs/dbraw/zinc/36/78/28/1067367828.db2.gz JPZDXIRIQXSEQM-RNUYOQPASA-N 0 0 455.860 4.933 20 0 JJADRN COC(=O)c1sc2[nH]c(CN3CCc4cc(Cl)cc(Cl)c4[C@@H]3C)nc(=O)c2c1C ZINC001459629916 1067368213 /nfs/dbraw/zinc/36/82/13/1067368213.db2.gz UWPUUEYMSGXSJN-JTQLQIEISA-N 0 0 452.363 4.506 20 0 JJADRN CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1 ZINC001459628257 1067368556 /nfs/dbraw/zinc/36/85/56/1067368556.db2.gz JPZDXIRIQXSEQM-VUVZNRFTSA-N 0 0 455.860 4.933 20 0 JJADRN O=C(CN1CCc2cc(Cl)cc(Cl)c2C1)NCc1cccc(COCc2ccco2)c1 ZINC001459629970 1067368566 /nfs/dbraw/zinc/36/85/66/1067368566.db2.gz HQRYIXZGEQEUAJ-UHFFFAOYSA-N 0 0 459.373 4.978 20 0 JJADRN CCN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001459633835 1067369143 /nfs/dbraw/zinc/36/91/43/1067369143.db2.gz COLICXKTTWTQLQ-NAKRPHOHSA-N 0 0 455.602 4.780 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC001459637642 1067369987 /nfs/dbraw/zinc/36/99/87/1067369987.db2.gz ZRRXDPWAPILLGN-MRXNPFEDSA-N 0 0 450.716 4.753 20 0 JJADRN CC1(C)C[C@H](C(=O)NCc2ccc(Cl)cc2I)c2ccccc2O1 ZINC001459641633 1067370636 /nfs/dbraw/zinc/37/06/36/1067370636.db2.gz BGIXJSCVICWSKF-HNNXBMFYSA-N 0 0 455.723 4.906 20 0 JJADRN COc1ccc(NC(=O)c2c(NC(=O)CN3CCC[C@H](C)[C@@H]3C)sc3c2CCCC3)cc1 ZINC001459643801 1067370771 /nfs/dbraw/zinc/37/07/71/1067370771.db2.gz UNNPWGOLZHSGHK-IRXDYDNUSA-N 0 0 455.624 4.947 20 0 JJADRN O=C(CS(=O)(=O)CCCc1ccccc1)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001459647447 1067371306 /nfs/dbraw/zinc/37/13/06/1067371306.db2.gz GREIWMYFCKFAIN-UHFFFAOYSA-N 0 0 454.419 4.579 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CC[C@@H](c3ccccc3OC)C2)sc2c1CCCC2 ZINC001459647992 1067371428 /nfs/dbraw/zinc/37/14/28/1067371428.db2.gz XJOIGFDKSPTZQB-IAGOWNOFSA-N 0 0 456.608 4.629 20 0 JJADRN Cc1ccc([C@H](NC(=O)COc2ccc3oc4ccccc4c3c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001459653577 1067372754 /nfs/dbraw/zinc/37/27/54/1067372754.db2.gz IOOYJVXVAIDHKF-SSOJOUAXSA-N 0 0 451.544 4.564 20 0 JJADRN CCC1(CC)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(F)(F)F)C1 ZINC001546110770 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CLVVRLALEYJNRQ-DHLKQENFSA-N 0 0 458.562 4.789 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)cc2)c1 ZINC001459672226 1067379310 /nfs/dbraw/zinc/37/93/10/1067379310.db2.gz OVVHAAOKMLQBQG-XXBNENTESA-N 0 0 453.583 4.961 20 0 JJADRN Cc1cccc(Oc2ccc(NC(=O)CN3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)cc2)c1 ZINC001459672223 1067379414 /nfs/dbraw/zinc/37/94/14/1067379414.db2.gz OVVHAAOKMLQBQG-WMZHIEFXSA-N 0 0 453.583 4.961 20 0 JJADRN O=C(CN[C@H](Cn1cccn1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459672140 1067379480 /nfs/dbraw/zinc/37/94/80/1067379480.db2.gz XMIOURRJJHAQHT-GOSISDBHSA-N 0 0 456.390 4.890 20 0 JJADRN Cc1cnc(NC(=O)c2cc(F)c(F)cc2I)nc1-c1ccccc1 ZINC001459673913 1067379773 /nfs/dbraw/zinc/37/97/73/1067379773.db2.gz LMJHOPKLZIPMAT-UHFFFAOYSA-N 0 0 451.214 4.587 20 0 JJADRN CCC1(CC)CCN(c2nnc(CC3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)C1 ZINC001546111052 1067379867 /nfs/dbraw/zinc/37/98/67/1067379867.db2.gz XKCCRMVAFDLPCB-UHFFFAOYSA-N 0 0 455.622 4.525 20 0 JJADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1(c2ccccc2)CCCCCC1 ZINC001459676566 1067380940 /nfs/dbraw/zinc/38/09/40/1067380940.db2.gz DVFOTJHJRRAALD-OAQYLSRUSA-N 0 0 455.396 4.963 20 0 JJADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001459680719 1067381770 /nfs/dbraw/zinc/38/17/70/1067381770.db2.gz JOUZZCVQNXFOGO-KRWDZBQOSA-N 0 0 450.398 4.951 20 0 JJADRN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)C2)n(C)n1 ZINC001459680045 1067381796 /nfs/dbraw/zinc/38/17/96/1067381796.db2.gz WNYFFCPLJBDOOX-JPYJTQIMSA-N 0 0 456.562 4.625 20 0 JJADRN C[C@@H]1CCC[C@@H](CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)[C@H]1C ZINC001459684670 1067383036 /nfs/dbraw/zinc/38/30/36/1067383036.db2.gz SJDKHQWVTCBFAM-AGIUHOORSA-N 0 0 459.310 4.851 20 0 JJADRN Cc1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1C(=O)N1CCCCC1 ZINC001459686138 1067383318 /nfs/dbraw/zinc/38/33/18/1067383318.db2.gz NKYNQOBOIGBZCI-UHFFFAOYSA-N 0 0 452.555 4.544 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)C1 ZINC001459685587 1067383486 /nfs/dbraw/zinc/38/34/86/1067383486.db2.gz ZVRXPXTZUJHJGY-ZVUIFXONSA-N 0 0 450.579 4.979 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC001459686160 1067383498 /nfs/dbraw/zinc/38/34/98/1067383498.db2.gz DITPUHXASLHULY-ORAYPTAESA-N 0 0 453.391 4.785 20 0 JJADRN Cn1nc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c(Br)c1C(F)(F)F ZINC001459687592 1067383911 /nfs/dbraw/zinc/38/39/11/1067383911.db2.gz JHYXBPYUQVYNOP-AWEZNQCLSA-N 0 0 450.258 4.994 20 0 JJADRN CCc1cc(C(=O)Nc2cc(-c3ccc(Br)o3)ncn2)c2c(n1)onc2C(C)C ZINC001459688251 1067384077 /nfs/dbraw/zinc/38/40/77/1067384077.db2.gz MRXJCVMHKRHSRA-UHFFFAOYSA-N 0 0 456.300 4.973 20 0 JJADRN Cc1nn(CC(=O)Nc2ncc(-c3ccccc3)cn2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001459688607 1067384112 /nfs/dbraw/zinc/38/41/12/1067384112.db2.gz HQNFUKVYLWUKMN-UHFFFAOYSA-N 0 0 454.456 4.978 20 0 JJADRN 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O=C(Nc1cccc(N2CCC2=O)c1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001459733093 1067399091 /nfs/dbraw/zinc/39/90/91/1067399091.db2.gz ZLRBXMACNSSJHU-QFIPXVFZSA-N 0 0 451.320 4.945 20 0 JJADRN O=C(CSc1ccc(Br)cc1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC001459740120 1067400943 /nfs/dbraw/zinc/40/09/43/1067400943.db2.gz RXZIAGQGFOIZJR-UHFFFAOYSA-N 0 0 455.805 4.907 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC001459740128 1067400953 /nfs/dbraw/zinc/40/09/53/1067400953.db2.gz SKWCLRLCOMVYNE-UHFFFAOYSA-N 0 0 459.974 4.942 20 0 JJADRN CN(C)C(=O)CN(C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC001459739599 1067401001 /nfs/dbraw/zinc/40/10/01/1067401001.db2.gz HUGXRZGHCCHLQM-QHCPKHFHSA-N 0 0 453.380 4.744 20 0 JJADRN CC(C)Cc1ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)cn1 ZINC001459743074 1067402381 /nfs/dbraw/zinc/40/23/81/1067402381.db2.gz ARURLIZGMSBCMF-SFHVURJKSA-N 0 0 452.477 4.898 20 0 JJADRN Cc1ccccc1-c1cnc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC001459744978 1067403432 /nfs/dbraw/zinc/40/34/32/1067403432.db2.gz YQEDPYLBOBZHFK-UHFFFAOYSA-N 0 0 455.356 4.658 20 0 JJADRN CN1c2cc(Br)ccc2N(C(=O)c2ccc(N=S(C)(C)=O)cc2)CC1(C)C ZINC001459746578 1067403970 /nfs/dbraw/zinc/40/39/70/1067403970.db2.gz DIWUUHXFMBCWKF-UHFFFAOYSA-N 0 0 450.402 4.683 20 0 JJADRN O=C(CN1CCC(C(=O)Nc2ccc(O)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001459748491 1067405017 /nfs/dbraw/zinc/40/50/17/1067405017.db2.gz PJZXSVPLCADOEU-UHFFFAOYSA-N 0 0 456.757 4.642 20 0 JJADRN COc1ccc(-n2ccc(C(=O)N3CC(C)(C)N(C)c4cc(Br)ccc43)n2)cc1 ZINC001459750097 1067405970 /nfs/dbraw/zinc/40/59/70/1067405970.db2.gz XRZMOOAMRQITHI-UHFFFAOYSA-N 0 0 455.356 4.519 20 0 JJADRN Cc1cc(NC(=O)CN2CC[C@H](C)Sc3ccc(Cl)cc32)n(-c2nc(C)cc(C)n2)n1 ZINC001459750532 1067405976 /nfs/dbraw/zinc/40/59/76/1067405976.db2.gz WTPANYIJRDTFJJ-INIZCTEOSA-N 0 0 457.003 4.570 20 0 JJADRN O=C(Nc1ccnn1-c1ccc(Br)cn1)c1ccc(Oc2ccccc2F)nc1 ZINC001459750087 1067405981 /nfs/dbraw/zinc/40/59/81/1067405981.db2.gz XFFXXJMNNHWWJA-UHFFFAOYSA-N 0 0 454.259 4.609 20 0 JJADRN Cc1cc(NC(=O)CN2CC[C@@H](C)Sc3ccc(Cl)cc32)n(-c2nc(C)cc(C)n2)n1 ZINC001459750588 1067405992 /nfs/dbraw/zinc/40/59/92/1067405992.db2.gz WTPANYIJRDTFJJ-MRXNPFEDSA-N 0 0 457.003 4.570 20 0 JJADRN Cc1csc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1I ZINC001459753113 1067407249 /nfs/dbraw/zinc/40/72/49/1067407249.db2.gz CEUDUPVWBTVUPG-UHFFFAOYSA-N 0 0 456.736 4.925 20 0 JJADRN Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1Oc1ccncc1 ZINC001459756946 1067409358 /nfs/dbraw/zinc/40/93/58/1067409358.db2.gz RYPOQPSKYUNRQT-QFIPXVFZSA-N 0 0 459.546 4.961 20 0 JJADRN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1scc(Br)c1Br ZINC001459757432 1067409458 /nfs/dbraw/zinc/40/94/58/1067409458.db2.gz IHLIYFUQVZPDPY-LHLIQPBNSA-N 0 0 452.086 4.787 20 0 JJADRN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2nnc(-c3ccccc3)s2)CC1 ZINC001459757532 1067409815 /nfs/dbraw/zinc/40/98/15/1067409815.db2.gz VQNOLTCQSZNFKZ-UHFFFAOYSA-N 0 0 457.397 4.818 20 0 JJADRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001459758080 1067409900 /nfs/dbraw/zinc/40/99/00/1067409900.db2.gz MRONRCKCFUMTAI-UHFFFAOYSA-N 0 0 458.266 4.566 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCCC3=CCN(C(=O)OC(C)(C)C)CC3)c21 ZINC001459759397 1067410897 /nfs/dbraw/zinc/41/08/97/1067410897.db2.gz PASZTBKJTNMBFP-UHFFFAOYSA-N 0 0 454.571 4.911 20 0 JJADRN COc1ccc(-c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)NCC(C)C)C3)nc2)cc1Cl ZINC001459761563 1067412511 /nfs/dbraw/zinc/41/25/11/1067412511.db2.gz KGKSPZGNWQMVHG-KRWDZBQOSA-N 0 0 458.990 4.817 20 0 JJADRN C[C@@H](NC(=O)CN1CCc2cccc(Br)c2C1)c1ccc(OC(F)(F)F)cc1 ZINC001459762877 1067412866 /nfs/dbraw/zinc/41/28/66/1067412866.db2.gz MKDHXAHTCAIYAM-CYBMUJFWSA-N 0 0 457.290 4.583 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2cc(F)c(Cl)cc2F)cc1 ZINC001459765108 1067413485 /nfs/dbraw/zinc/41/34/85/1067413485.db2.gz UFLKOXWSPURPOI-GASCZTMLSA-N 0 0 450.913 4.717 20 0 JJADRN O=C(CN1CCOC[C@H]1C[C@@H](O)c1cccs1)Nc1ccccc1Sc1ccccc1 ZINC001459764655 1067413501 /nfs/dbraw/zinc/41/35/01/1067413501.db2.gz CWXKVJSECLSMEM-WIYYLYMNSA-N 0 0 454.617 4.662 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001459767145 1067414471 /nfs/dbraw/zinc/41/44/71/1067414471.db2.gz BUJXFKRMOLBQLP-SUMWQHHRSA-N 0 0 457.427 4.986 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC001459767144 1067414487 /nfs/dbraw/zinc/41/44/87/1067414487.db2.gz BUJXFKRMOLBQLP-GUYCJALGSA-N 0 0 457.427 4.986 20 0 JJADRN CCS[C@@H](C)c1noc(CN(C)Cc2cc(Cl)ccc2I)n1 ZINC001459768683 1067415006 /nfs/dbraw/zinc/41/50/06/1067415006.db2.gz JOKXLOHYVVCQTR-JTQLQIEISA-N 0 0 451.761 4.774 20 0 JJADRN COc1ccc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)nc2)cc1Cl ZINC001459770425 1067415101 /nfs/dbraw/zinc/41/51/01/1067415101.db2.gz ZMVCKTQYICSFLU-QGZVFWFLSA-N 0 0 453.901 4.850 20 0 JJADRN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)c1 ZINC001459772927 1067416038 /nfs/dbraw/zinc/41/60/38/1067416038.db2.gz JTZJGXSIKQTSHP-UHFFFAOYSA-N 0 0 459.370 4.628 20 0 JJADRN CN(CCC1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459775816 1067417033 /nfs/dbraw/zinc/41/70/33/1067417033.db2.gz XWVLLOMRFGVQFC-NRFANRHFSA-N 0 0 450.023 4.804 20 0 JJADRN CCCC[C@](C)(NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1cccc(Br)c1 ZINC001459777247 1067417067 /nfs/dbraw/zinc/41/70/67/1067417067.db2.gz GAMFLLDOANDZSY-QHCPKHFHSA-N 0 0 456.384 4.725 20 0 JJADRN CCCC[C@@](C)(NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1cccc(Br)c1 ZINC001459777243 1067417280 /nfs/dbraw/zinc/41/72/80/1067417280.db2.gz GAMFLLDOANDZSY-HSZRJFAPSA-N 0 0 456.384 4.725 20 0 JJADRN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CSc4ccc(Br)cc43)c(C)c12 ZINC001459778617 1067417785 /nfs/dbraw/zinc/41/77/85/1067417785.db2.gz HLBBGUKFIHBWRI-KRWDZBQOSA-N 0 0 459.413 4.552 20 0 JJADRN O=C(COc1ccc2ccccc2c1Br)OCc1cccc(N2CCCC2=O)c1 ZINC001459781422 1067418303 /nfs/dbraw/zinc/41/83/03/1067418303.db2.gz VRFKQLGHAAWFPB-UHFFFAOYSA-N 0 0 454.320 4.851 20 0 JJADRN COC(=O)/C=C/c1ccc(OC)c(OC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC001459781973 1067418922 /nfs/dbraw/zinc/41/89/22/1067418922.db2.gz YMRLRKVABNVVAB-OMDQHUAHSA-N 0 0 451.288 4.882 20 0 JJADRN CCCC[C@@](C)(NC(=O)CCc1c(C)nc2ncnn2c1C)c1cccc(Br)c1 ZINC001459782071 1067418944 /nfs/dbraw/zinc/41/89/44/1067418944.db2.gz ZUWZIOIVSMMSKK-JOCHJYFZSA-N 0 0 458.404 4.658 20 0 JJADRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001459782262 1067418972 /nfs/dbraw/zinc/41/89/72/1067418972.db2.gz CSTZABQNGUTLIV-UHFFFAOYSA-N 0 0 455.243 4.575 20 0 JJADRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC001459784131 1067420944 /nfs/dbraw/zinc/42/09/44/1067420944.db2.gz GSLTUFBQYOUHGS-LJQANCHMSA-N 0 0 456.384 4.711 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(C)cc1 ZINC001459785414 1067421624 /nfs/dbraw/zinc/42/16/24/1067421624.db2.gz YIUUHZPAPUAQFP-INIZCTEOSA-N 0 0 459.262 4.862 20 0 JJADRN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(-c3ccco3)cc2F)c1 ZINC001459787868 1067422033 /nfs/dbraw/zinc/42/20/33/1067422033.db2.gz NFMSYZHFHDKFAE-JOCHJYFZSA-N 0 0 454.498 4.977 20 0 JJADRN CC(=O)Nc1cccc2c1CCCN2[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC001459787444 1067422105 /nfs/dbraw/zinc/42/21/05/1067422105.db2.gz LKQKPIRFZVSEFB-QFIPXVFZSA-N 0 0 456.384 4.664 20 0 JJADRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Br ZINC001459786424 1067422114 /nfs/dbraw/zinc/42/21/14/1067422114.db2.gz UCXQUQPGTGZTLU-INIZCTEOSA-N 0 0 455.190 4.979 20 0 JJADRN O=C1[C@H](N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCN1Cc1ccc(F)cc1F ZINC001459788364 1067422861 /nfs/dbraw/zinc/42/28/61/1067422861.db2.gz PEGKLVWTPVYNDV-WMLDXEAASA-N 0 0 459.484 4.811 20 0 JJADRN CCc1c(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC001459790423 1067424009 /nfs/dbraw/zinc/42/40/09/1067424009.db2.gz GMMWLHFZDWNPAA-LIRRHRJNSA-N 0 0 450.942 4.622 20 0 JJADRN CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001459791802 1067424933 /nfs/dbraw/zinc/42/49/33/1067424933.db2.gz KMZQIFCCKIVNLW-NRFANRHFSA-N 0 0 452.414 4.934 20 0 JJADRN COc1ccc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1SC(F)(F)F ZINC001459793780 1067425972 /nfs/dbraw/zinc/42/59/72/1067425972.db2.gz XGQBGMZDLSYFTC-UHFFFAOYSA-N 0 0 458.933 4.847 20 0 JJADRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3cccnc3Sc3ccccc3)c2)n1 ZINC001459794705 1067426622 /nfs/dbraw/zinc/42/66/22/1067426622.db2.gz IFYZCMMVGJSVRH-UHFFFAOYSA-N 0 0 458.543 4.525 20 0 JJADRN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001459797893 1067428277 /nfs/dbraw/zinc/42/82/77/1067428277.db2.gz QSPIQZLFGWWIFP-UHFFFAOYSA-N 0 0 450.988 4.714 20 0 JJADRN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)CC1 ZINC001459797836 1067428279 /nfs/dbraw/zinc/42/82/79/1067428279.db2.gz LUVDQOAYHCFMRJ-UHFFFAOYSA-N 0 0 454.518 4.941 20 0 JJADRN COc1cc(-c2nc(CN3C[C@@H](CC(=O)N(C)C)c4cc(Cl)ccc43)cs2)ccc1O ZINC001459799590 1067429192 /nfs/dbraw/zinc/42/91/92/1067429192.db2.gz XWPZTJDBISZPEE-OAHLLOKOSA-N 0 0 457.983 4.760 20 0 JJADRN CN(C)C(=O)C[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 ZINC001459799533 1067429240 /nfs/dbraw/zinc/42/92/40/1067429240.db2.gz XKMZXMFZOCOWKS-DBDZUICISA-N 0 0 459.826 4.837 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1Oc1ncccc1Br ZINC001459802659 1067430232 /nfs/dbraw/zinc/43/02/32/1067430232.db2.gz FSCWYRRZCJAOJI-LJQANCHMSA-N 0 0 453.292 4.665 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001459804952 1067430605 /nfs/dbraw/zinc/43/06/05/1067430605.db2.gz LZMKADWZWVWLDJ-LSWJPFSZSA-N 0 0 456.558 4.723 20 0 JJADRN C[C@@H](OC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1cccc(OCc2ccccc2)c1 ZINC001459803870 1067430698 /nfs/dbraw/zinc/43/06/98/1067430698.db2.gz NKPMKTGWUYNPDJ-CVEARBPZSA-N 0 0 456.589 4.535 20 0 JJADRN CCOC(=O)CN(Cc1nc([C@@H](C)SCC)no1)[C@@H](C)c1cccc(Br)c1 ZINC001459803223 1067430706 /nfs/dbraw/zinc/43/07/06/1067430706.db2.gz PDXLEFAVKNIJEP-UONOGXRCSA-N 0 0 456.406 4.773 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)CC2=O)ccc1Br ZINC001459805439 1067431252 /nfs/dbraw/zinc/43/12/52/1067431252.db2.gz OLEZRCXCQHPWCQ-SCTDSRPQSA-N 0 0 459.359 4.702 20 0 JJADRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001459807057 1067431633 /nfs/dbraw/zinc/43/16/33/1067431633.db2.gz MWJJOQHLPLUCNC-CJCBUOBESA-N 0 0 457.398 4.833 20 0 JJADRN O=C(c1cccc(S(=O)(=O)C(F)F)c1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC001459810294 1067432739 /nfs/dbraw/zinc/43/27/39/1067432739.db2.gz GFBGGOBVUSUNDR-UHFFFAOYSA-N 0 0 456.308 4.528 20 0 JJADRN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N(C)Cc1cc(Br)cn1C ZINC001459809279 1067432746 /nfs/dbraw/zinc/43/27/46/1067432746.db2.gz VUQCWDMCGKSKDD-GFCCVEGCSA-N 0 0 451.365 4.509 20 0 JJADRN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N(C)Cc1cc(Br)cn1C ZINC001459809281 1067432767 /nfs/dbraw/zinc/43/27/67/1067432767.db2.gz VUQCWDMCGKSKDD-LBPRGKRZSA-N 0 0 451.365 4.509 20 0 JJADRN CN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 ZINC001459811126 1067433372 /nfs/dbraw/zinc/43/33/72/1067433372.db2.gz UXOKBYOWDGEDHR-UHFFFAOYSA-N 0 0 455.824 4.965 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812376 1067433969 /nfs/dbraw/zinc/43/39/69/1067433969.db2.gz GSNPXTQRSOBZOH-DNQXCXABSA-N 0 0 456.995 4.727 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC001459812373 1067434004 /nfs/dbraw/zinc/43/40/04/1067434004.db2.gz GSNPXTQRSOBZOH-BJKOFHAPSA-N 0 0 456.995 4.727 20 0 JJADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 ZINC001459814219 1067435328 /nfs/dbraw/zinc/43/53/28/1067435328.db2.gz XRJLQCJZYIHGCR-SMDDNHRTSA-N 0 0 457.353 4.814 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001459814698 1067435433 /nfs/dbraw/zinc/43/54/33/1067435433.db2.gz WORJFKQAYWYIBH-QUCCMNQESA-N 0 0 457.640 4.723 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C1 ZINC001546112081 1067438289 /nfs/dbraw/zinc/43/82/89/1067438289.db2.gz BYLUVVVXLVLHCD-UHFFFAOYSA-N 0 0 474.671 4.794 20 0 JJADRN CCNC(=O)Nc1cccc(NC(=O)c2cc(I)c(C)cc2C)c1C ZINC001459820940 1067438370 /nfs/dbraw/zinc/43/83/70/1067438370.db2.gz AJSXXJVADJJHMM-UHFFFAOYSA-N 0 0 451.308 4.610 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC001459822531 1067439214 /nfs/dbraw/zinc/43/92/14/1067439214.db2.gz KMYWEZVCYWYLKR-LLVKDONJSA-N 0 0 457.093 4.691 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)c1cccc(F)c1I ZINC001459822524 1067439221 /nfs/dbraw/zinc/43/92/21/1067439221.db2.gz KFFGRXZINLIFKJ-UHFFFAOYSA-N 0 0 453.020 4.860 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459823035 1067439649 /nfs/dbraw/zinc/43/96/49/1067439649.db2.gz RXZHKYFSLNCCDV-GFCCVEGCSA-N 0 0 450.333 4.723 20 0 JJADRN Cn1nc([C@H]2CCCO2)cc1NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001459822960 1067439674 /nfs/dbraw/zinc/43/96/74/1067439674.db2.gz YZBUHBBEJDDTKR-CTNGQTDRSA-N 0 0 456.340 4.793 20 0 JJADRN Cn1nc([C@H]2CCCO2)cc1NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001459822963 1067439705 /nfs/dbraw/zinc/43/97/05/1067439705.db2.gz YZBUHBBEJDDTKR-TZIWHRDSSA-N 0 0 456.340 4.793 20 0 JJADRN Cc1cc(F)cc(Br)c1OC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC001459823036 1067439753 /nfs/dbraw/zinc/43/97/53/1067439753.db2.gz RXZHKYFSLNCCDV-LBPRGKRZSA-N 0 0 450.333 4.723 20 0 JJADRN O=C(/C=C\c1ccccc1OCc1ccccc1)NCCCCn1cc(Br)cn1 ZINC001459823339 1067440183 /nfs/dbraw/zinc/44/01/83/1067440183.db2.gz CGTLPHVXLFUZAW-SEYXRHQNSA-N 0 0 454.368 4.834 20 0 JJADRN O=C(NCCCCn1cc(Br)cn1)c1cccc2cccc(Br)c21 ZINC001459824359 1067440764 /nfs/dbraw/zinc/44/07/64/1067440764.db2.gz JOAGIVQUHRLNKM-UHFFFAOYSA-N 0 0 451.162 4.772 20 0 JJADRN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001459827816 1067441755 /nfs/dbraw/zinc/44/17/55/1067441755.db2.gz JJLBYIBZQKEHBS-HNNXBMFYSA-N 0 0 450.757 4.626 20 0 JJADRN COc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(Cl)c1OC ZINC001459828182 1067442234 /nfs/dbraw/zinc/44/22/34/1067442234.db2.gz MCASYNYOSJFVQI-HNNXBMFYSA-N 0 0 457.785 4.992 20 0 JJADRN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001459828276 1067442296 /nfs/dbraw/zinc/44/22/96/1067442296.db2.gz RMTAJJYRZIXMLX-IAGOWNOFSA-N 0 0 450.564 4.552 20 0 JJADRN Cc1sc(=O)n(CC(=O)Nc2cc3ccccc3nc2Br)c1-c1ccccc1 ZINC001459828767 1067442586 /nfs/dbraw/zinc/44/25/86/1067442586.db2.gz IJSWENIYNNFJJM-UHFFFAOYSA-N 0 0 454.349 4.835 20 0 JJADRN CCCc1ccc(N2C[C@@H](C(=O)Nc3cc4ccccc4nc3Br)CC2=O)cc1 ZINC001459829673 1067443306 /nfs/dbraw/zinc/44/33/06/1067443306.db2.gz QAVQHJNPHNIPQW-KRWDZBQOSA-N 0 0 452.352 4.941 20 0 JJADRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)CC1c2ccccc2Oc2ccccc21 ZINC001459829941 1067443320 /nfs/dbraw/zinc/44/33/20/1067443320.db2.gz RDRWOJLARHBGKY-UHFFFAOYSA-N 0 0 457.935 4.824 20 0 JJADRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC001459830566 1067443539 /nfs/dbraw/zinc/44/35/39/1067443539.db2.gz BESHJPCGXFAZCH-FQEVSTJZSA-N 0 0 451.464 4.509 20 0 JJADRN O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001459832872 1067444776 /nfs/dbraw/zinc/44/47/76/1067444776.db2.gz NNSYJUBQMARDFK-AWEZNQCLSA-N 0 0 457.239 4.847 20 0 JJADRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2Br)n1 ZINC001459833753 1067445346 /nfs/dbraw/zinc/44/53/46/1067445346.db2.gz GGLSSWKLCNTJNP-MRXNPFEDSA-N 0 0 455.349 4.518 20 0 JJADRN COCc1ncsc1C(=O)Nc1sc(Br)cc1C(=O)c1ccc(C)cc1 ZINC001459834352 1067445371 /nfs/dbraw/zinc/44/53/71/1067445371.db2.gz QLHIPPLBLLWSAH-UHFFFAOYSA-N 0 0 451.367 4.905 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccnc2OC)C1 ZINC001546112182 1067448555 /nfs/dbraw/zinc/44/85/55/1067448555.db2.gz GYRPWPPNHLVNSR-UHFFFAOYSA-N 0 0 455.990 4.979 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)CN[C@H](CC(F)(F)F)c3ccc(F)cc3)n2)CC1 ZINC001459844264 1067450511 /nfs/dbraw/zinc/45/05/11/1067450511.db2.gz OBWOLMCAEBSOHN-GOSISDBHSA-N 0 0 458.525 4.736 20 0 JJADRN CC1CCN(Cc2csc(NC(=O)CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)n2)CC1 ZINC001459844266 1067450605 /nfs/dbraw/zinc/45/06/05/1067450605.db2.gz OBWOLMCAEBSOHN-SFHVURJKSA-N 0 0 458.525 4.736 20 0 JJADRN CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)c1 ZINC001459845993 1067451354 /nfs/dbraw/zinc/45/13/54/1067451354.db2.gz QLMUHVQRRDGXDE-UHFFFAOYSA-N 0 0 453.264 4.504 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc2ccccc2c1 ZINC001459847573 1067453072 /nfs/dbraw/zinc/45/30/72/1067453072.db2.gz CWSGWTMPJGGSJF-HXUWFJFHSA-N 0 0 454.958 4.682 20 0 JJADRN COC(=O)[C@@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)c1cccc(Br)c1 ZINC001459848527 1067453689 /nfs/dbraw/zinc/45/36/89/1067453689.db2.gz RVZJWNPLGODRSV-AOMKIAJQSA-N 0 0 455.352 4.988 20 0 JJADRN COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)c(F)c2)c(F)c1 ZINC001459848695 1067454077 /nfs/dbraw/zinc/45/40/77/1067454077.db2.gz FMGDSMVFCCRAQV-DEOSSOPVSA-N 0 0 450.485 4.514 20 0 JJADRN COC(=O)[C@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)c1cccc(Br)c1 ZINC001459848537 1067454084 /nfs/dbraw/zinc/45/40/84/1067454084.db2.gz RVZJWNPLGODRSV-KSFYIVLOSA-N 0 0 455.352 4.988 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N(Cc3cccc(Br)c3)CC3CC3)cn2)C[C@@H](C)O1 ZINC001459848552 1067454124 /nfs/dbraw/zinc/45/41/24/1067454124.db2.gz DHDLYBPVCGFOHM-IAGOWNOFSA-N 0 0 458.400 4.510 20 0 JJADRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001459849426 1067454687 /nfs/dbraw/zinc/45/46/87/1067454687.db2.gz IPBUZQTWFPHTQW-IBGZPJMESA-N 0 0 457.452 4.542 20 0 JJADRN COCc1nnc(-c2cccc(C(=O)N(Cc3cccc(Br)c3)CC3CC3)c2)o1 ZINC001459849894 1067455089 /nfs/dbraw/zinc/45/50/89/1067455089.db2.gz MSHUYMMVNOJRQR-UHFFFAOYSA-N 0 0 456.340 4.698 20 0 JJADRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC001459851009 1067456228 /nfs/dbraw/zinc/45/62/28/1067456228.db2.gz RRGCNSWSPBTWPV-UHFFFAOYSA-N 0 0 450.358 4.521 20 0 JJADRN C[C@@H](NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(F)c(Br)c1 ZINC001459851569 1067456719 /nfs/dbraw/zinc/45/67/19/1067456719.db2.gz QZZMNVHQTVMQJV-LLVKDONJSA-N 0 0 457.344 4.582 20 0 JJADRN COC(=O)c1cccc(NC(=O)C2(c3cccc(Br)c3)CC2)c1Br ZINC001459853986 1067458233 /nfs/dbraw/zinc/45/82/33/1067458233.db2.gz XXGVTZHADOEHLP-UHFFFAOYSA-N 0 0 453.130 4.669 20 0 JJADRN CCOC(=O)c1c(NC(=O)CNC2(c3ccccc3OC)CCC2)sc2c1CC[C@@H](C)C2 ZINC001459858098 1067460286 /nfs/dbraw/zinc/46/02/86/1067460286.db2.gz ABVFYGRHXLTKCF-MRXNPFEDSA-N 0 0 456.608 4.666 20 0 JJADRN COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)c3ccc(Oc4cccnc4)cc3)CCC(=O)N2C)cc1 ZINC001459858565 1067460820 /nfs/dbraw/zinc/46/08/20/1067460820.db2.gz YJAUMGLBXILDRM-ZNCVFPSASA-N 0 0 459.546 4.669 20 0 JJADRN COc1cc2ccccc2cc1-c1nnc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)o1 ZINC001459861414 1067461996 /nfs/dbraw/zinc/46/19/96/1067461996.db2.gz RTRVMWLFTOJUPX-SJORKVTESA-N 0 0 452.555 4.728 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(F)c3Cl)cc2OC)cc1 ZINC001459862443 1067462356 /nfs/dbraw/zinc/46/23/56/1067462356.db2.gz JMRMVQBYNYGNCK-UHFFFAOYSA-N 0 0 458.873 4.766 20 0 JJADRN COC[C@@]1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCCCN1C(=O)OC(C)(C)C ZINC001459863280 1067462509 /nfs/dbraw/zinc/46/25/09/1067462509.db2.gz GAHMNIAKUAHLNZ-OAQYLSRUSA-N 0 0 455.527 4.979 20 0 JJADRN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC001459863471 1067462567 /nfs/dbraw/zinc/46/25/67/1067462567.db2.gz OKZREQZSNXFOKY-GOSISDBHSA-N 0 0 450.583 4.822 20 0 JJADRN O=C(Nc1cccc(F)c1Cl)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC001459864160 1067463123 /nfs/dbraw/zinc/46/31/23/1067463123.db2.gz QGIVHCHCEDFLKC-UHFFFAOYSA-N 0 0 450.944 4.540 20 0 JJADRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC001459866174 1067463660 /nfs/dbraw/zinc/46/36/60/1067463660.db2.gz SIJCWKWAGJSCNE-HNNXBMFYSA-N 0 0 453.852 4.566 20 0 JJADRN C[C@@H](Sc1ncccc1C(=O)OCc1c(Cl)ccc(F)c1Cl)C(=O)N1CCCC1 ZINC001459868384 1067465254 /nfs/dbraw/zinc/46/52/54/1067465254.db2.gz ILHHHYSNSKOUNF-GFCCVEGCSA-N 0 0 457.354 4.988 20 0 JJADRN Cc1cc([C@H](OC(=O)c2cccc(Cn3ccnn3)c2)C(F)(F)F)ccc1Br ZINC001459868561 1067465348 /nfs/dbraw/zinc/46/53/48/1067465348.db2.gz YPPHKDFGWJYVFH-KRWDZBQOSA-N 0 0 454.246 4.858 20 0 JJADRN O=C1[C@H](N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001459873489 1067468368 /nfs/dbraw/zinc/46/83/68/1067468368.db2.gz CHYCBVRLDQEBIM-MOPGFXCFSA-N 0 0 457.304 4.774 20 0 JJADRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Cc1csc2ccc(Br)cc12 ZINC001459872631 1067468399 /nfs/dbraw/zinc/46/83/99/1067468399.db2.gz STQBMWWIVNDSPV-INIZCTEOSA-N 0 0 453.402 4.676 20 0 JJADRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC001459873573 1067468402 /nfs/dbraw/zinc/46/84/02/1067468402.db2.gz WFDKJULKNNWTGH-DOTOQJQBSA-N 0 0 450.004 4.838 20 0 JJADRN COc1ccc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)c(I)c1 ZINC001459874051 1067468806 /nfs/dbraw/zinc/46/88/06/1067468806.db2.gz PAOZUBLVHCBTRG-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN Nc1nc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(Nc2ccc(F)cc2)n1 ZINC001459875866 1067469380 /nfs/dbraw/zinc/46/93/80/1067469380.db2.gz IYOANRRBCJKDJZ-OAQYLSRUSA-N 0 0 450.468 4.688 20 0 JJADRN CCC1(CC)CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCOC2)C1 ZINC001546112430 1067469732 /nfs/dbraw/zinc/46/97/32/1067469732.db2.gz QWHDTEUGHSRWKR-KRWDZBQOSA-N 0 0 463.420 4.673 20 0 JJADRN CC(C)c1ccc(CN(C(=O)CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)C2CC2)cc1 ZINC001459877612 1067469815 /nfs/dbraw/zinc/46/98/15/1067469815.db2.gz UKKZIARUSMTTND-XMMPIXPASA-N 0 0 458.549 4.976 20 0 JJADRN CCCOc1c(Cl)cc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1OC ZINC001459876686 1067469854 /nfs/dbraw/zinc/46/98/54/1067469854.db2.gz LVCRMOXCIVMVAP-YZVOILCLSA-N 0 0 454.995 4.901 20 0 JJADRN COC1(CNC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CCC(c2ccccc2)CC1 ZINC001459880087 1067470732 /nfs/dbraw/zinc/47/07/32/1067470732.db2.gz JHKQCVILLHERJH-UHFFFAOYSA-N 0 0 457.574 4.736 20 0 JJADRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001459879945 1067470776 /nfs/dbraw/zinc/47/07/76/1067470776.db2.gz HRNOVDMVPKIHNZ-SIKLNZKXSA-N 0 0 453.407 4.633 20 0 JJADRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459880797 1067471232 /nfs/dbraw/zinc/47/12/32/1067471232.db2.gz MUFAGRMASVVPKX-JOCHJYFZSA-N 0 0 458.521 4.607 20 0 JJADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)Cc1ccc(Cl)cc1Br ZINC001459880583 1067471253 /nfs/dbraw/zinc/47/12/53/1067471253.db2.gz UZUJAFRJNWHCHO-VFVRVIDISA-N 0 0 459.812 4.795 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3nc4c(cccc4Br)s3)cnc21 ZINC001459881098 1067471266 /nfs/dbraw/zinc/47/12/66/1067471266.db2.gz NQBSIMSINBDTFV-UHFFFAOYSA-N 0 0 456.247 4.612 20 0 JJADRN Cc1ccc(-c2nc(CC(=O)N[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cs2)o1 ZINC001459882621 1067472323 /nfs/dbraw/zinc/47/23/23/1067472323.db2.gz IIAHLERXQBRCRY-OAQYLSRUSA-N 0 0 450.482 4.791 20 0 JJADRN O=C(CCOc1ccccc1I)Nc1ccc2c(Cl)cccc2n1 ZINC001459883968 1067472352 /nfs/dbraw/zinc/47/23/52/1067472352.db2.gz NCDCMUVYBUROMT-UHFFFAOYSA-N 0 0 452.679 4.900 20 0 JJADRN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001459885013 1067472739 /nfs/dbraw/zinc/47/27/39/1067472739.db2.gz VATJCTXLEGCOGP-NRFANRHFSA-N 0 0 450.482 4.791 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H](O)C2)C1 ZINC001546112495 1067472774 /nfs/dbraw/zinc/47/27/74/1067472774.db2.gz UDRKRMHGJXVEGT-UWHLTILDSA-N 0 0 475.678 4.616 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCc2cccc(F)c2C1 ZINC001459887672 1067473608 /nfs/dbraw/zinc/47/36/08/1067473608.db2.gz YRGAZAIKDYVCCY-LLVKDONJSA-N 0 0 456.153 4.736 20 0 JJADRN CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)ccc1C ZINC001459887605 1067473653 /nfs/dbraw/zinc/47/36/53/1067473653.db2.gz LZRUANQFWHCKHY-HXUWFJFHSA-N 0 0 457.368 4.502 20 0 JJADRN COc1ccc(-c2nc(CC(=O)NCC(F)(F)c3ccc(Cl)cc3)cs2)cc1OC ZINC001459887969 1067473687 /nfs/dbraw/zinc/47/36/87/1067473687.db2.gz OFCAWQAHZUSJIO-UHFFFAOYSA-N 0 0 452.910 4.931 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cccc(F)c2Cl)C1=O ZINC001459888945 1067474143 /nfs/dbraw/zinc/47/41/43/1067474143.db2.gz SBGLSOHJUBXKNC-INIZCTEOSA-N 0 0 453.739 4.784 20 0 JJADRN CCOC(=O)CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H](C)c1ccccc1 ZINC001459888342 1067474191 /nfs/dbraw/zinc/47/41/91/1067474191.db2.gz FWOSVEIUSKPMKH-FQEVSTJZSA-N 0 0 459.546 4.504 20 0 JJADRN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)CC(F)(F)C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC001459888325 1067474216 /nfs/dbraw/zinc/47/42/16/1067474216.db2.gz YUXZLOOKDBBSKN-GHMZBOCLSA-N 0 0 456.477 4.506 20 0 JJADRN CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)s2)cc1 ZINC001459889150 1067474638 /nfs/dbraw/zinc/47/46/38/1067474638.db2.gz SYLDOHVDKGHYGP-UHFFFAOYSA-N 0 0 459.518 4.884 20 0 JJADRN Cc1ccc(Oc2ccc(OCC(=O)Nc3cc(F)c(F)cc3N3CCOCC3)cc2)cc1 ZINC001459889757 1067474693 /nfs/dbraw/zinc/47/46/93/1067474693.db2.gz XJLWYZUWGOSWFZ-UHFFFAOYSA-N 0 0 454.473 4.920 20 0 JJADRN Cc1cc(=O)oc2cc(N(C)C(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)ccc12 ZINC001459889536 1067474696 /nfs/dbraw/zinc/47/46/96/1067474696.db2.gz GLPKCLQEELJFIL-NYDSKATKSA-N 0 0 454.567 4.880 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)CN3CC[C@H](N4CCCC4=O)C3)n2)cc1 ZINC001459891956 1067475784 /nfs/dbraw/zinc/47/57/84/1067475784.db2.gz JCAWOFYQXBUPGZ-NRFANRHFSA-N 0 0 454.640 4.568 20 0 JJADRN COCCCOc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC001459893832 1067476756 /nfs/dbraw/zinc/47/67/56/1067476756.db2.gz DRLQZIAXWWWSMD-UHFFFAOYSA-N 0 0 458.352 4.713 20 0 JJADRN O=C(NCc1cc(F)c(F)cc1Br)C1=Cc2cc(Br)ccc2OC1 ZINC001459897783 1067478260 /nfs/dbraw/zinc/47/82/60/1067478260.db2.gz PRLGPUAJBLIDKI-UHFFFAOYSA-N 0 0 459.084 4.582 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)nc1Cl ZINC001459898938 1067478676 /nfs/dbraw/zinc/47/86/76/1067478676.db2.gz IFIYXFZQNZCGCS-OAHLLOKOSA-N 0 0 452.780 4.522 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C(=O)c2ccc(Cl)s2)C1 ZINC001459902729 1067480771 /nfs/dbraw/zinc/48/07/71/1067480771.db2.gz RZELWTUARDTLHH-AWEZNQCLSA-N 0 0 455.805 4.749 20 0 JJADRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)cc(I)c3)c3c2CCC3)cc1 ZINC001459903263 1067481434 /nfs/dbraw/zinc/48/14/34/1067481434.db2.gz UYGDIANWVIURGR-UHFFFAOYSA-N 0 0 457.315 4.835 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 ZINC001459903816 1067481810 /nfs/dbraw/zinc/48/18/10/1067481810.db2.gz VRYZXSFZXDTNHI-ILWGZMRPSA-N 0 0 457.412 4.963 20 0 JJADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC001459904551 1067481898 /nfs/dbraw/zinc/48/18/98/1067481898.db2.gz XJYWQVDIPRJLCP-KRWDZBQOSA-N 0 0 454.596 4.544 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905661 1067482967 /nfs/dbraw/zinc/48/29/67/1067482967.db2.gz UKCOZUUIAVSPAE-NHCUHLMSSA-N 0 0 450.501 4.959 20 0 JJADRN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905659 1067482986 /nfs/dbraw/zinc/48/29/86/1067482986.db2.gz UKCOZUUIAVSPAE-LEWJYISDSA-N 0 0 450.501 4.959 20 0 JJADRN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](CC(F)(F)F)c2ccc(C)cc2)c(OC)c1 ZINC001459905664 1067483050 /nfs/dbraw/zinc/48/30/50/1067483050.db2.gz UKCOZUUIAVSPAE-RTWAWAEBSA-N 0 0 450.501 4.959 20 0 JJADRN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N[C@H]3CCOC3)c(F)c2)cc1C ZINC001459906023 1067483084 /nfs/dbraw/zinc/48/30/84/1067483084.db2.gz KAVIGVGXSCOTON-VXKWHMMOSA-N 0 0 454.542 4.619 20 0 JJADRN CCC1(CC)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001546112644 1067483564 /nfs/dbraw/zinc/48/35/64/1067483564.db2.gz YVOGBXPCANILNC-WOJBJXKFSA-N 0 0 480.719 4.571 20 0 JJADRN C[C@H](NCc1nc2ccccc2c(=O)n1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459907939 1067484144 /nfs/dbraw/zinc/48/41/44/1067484144.db2.gz FJGWDFLYFKXNRY-ZDUSSCGKSA-N 0 0 455.381 4.670 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001459909136 1067484645 /nfs/dbraw/zinc/48/46/45/1067484645.db2.gz AJMWOQYPPYTOBL-JOCHJYFZSA-N 0 0 451.567 4.848 20 0 JJADRN C[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001459910726 1067485838 /nfs/dbraw/zinc/48/58/38/1067485838.db2.gz NTKQVWRGXGIENL-ZIAGYGMSSA-N 0 0 455.385 4.960 20 0 JJADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1Cc2ccc(Br)cc2C1 ZINC001459911033 1067486177 /nfs/dbraw/zinc/48/61/77/1067486177.db2.gz ZTEJMSANZQWHRV-GFCCVEGCSA-N 0 0 451.386 4.593 20 0 JJADRN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC001459911223 1067486190 /nfs/dbraw/zinc/48/61/90/1067486190.db2.gz MCRLKHNHKOEMIE-JTSKRJEESA-N 0 0 452.530 4.597 20 0 JJADRN CCOC(=O)c1cc(CN[C@@H](C)c2sc(-c3ccccc3Br)nc2C)on1 ZINC001459910729 1067486220 /nfs/dbraw/zinc/48/62/20/1067486220.db2.gz NYEGKLLRAIGGGW-NSHDSACASA-N 0 0 450.358 4.897 20 0 JJADRN COC(=O)c1ccccc1NC(=O)CNC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001459911233 1067486278 /nfs/dbraw/zinc/48/62/78/1067486278.db2.gz MDWQDAKPUVQDOW-UHFFFAOYSA-N 0 0 454.571 4.682 20 0 JJADRN CN(C)C(=O)Sc1cc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)ccc1Cl ZINC001459911183 1067486340 /nfs/dbraw/zinc/48/63/40/1067486340.db2.gz ZKZYGFNOLAQLAJ-UHFFFAOYSA-N 0 0 453.351 4.549 20 0 JJADRN CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459913099 1067487303 /nfs/dbraw/zinc/48/73/03/1067487303.db2.gz VTZPCJFWKHVPCT-CQSZACIVSA-N 0 0 456.999 4.811 20 0 JJADRN COc1cccc(S(=O)(=O)CCN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1 ZINC001459912586 1067487319 /nfs/dbraw/zinc/48/73/19/1067487319.db2.gz SPGZCVMZLDWCLV-CQSZACIVSA-N 0 0 451.013 4.905 20 0 JJADRN C[C@H](NCC(=O)Nc1cccc2ccccc21)c1nc(-c2ccc(Br)cc2)no1 ZINC001459912727 1067487348 /nfs/dbraw/zinc/48/73/48/1067487348.db2.gz RWAUJJWMAOIUKC-AWEZNQCLSA-N 0 0 451.324 4.942 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001459913163 1067487883 /nfs/dbraw/zinc/48/78/83/1067487883.db2.gz LYTFBQHOZGXGCK-OALUTQOASA-N 0 0 455.640 4.612 20 0 JJADRN COC(=O)[C@@H](NCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 ZINC001459913176 1067487914 /nfs/dbraw/zinc/48/79/14/1067487914.db2.gz UIJPEEKTBZLJSX-SFHVURJKSA-N 0 0 456.395 4.767 20 0 JJADRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001459915716 1067488894 /nfs/dbraw/zinc/48/88/94/1067488894.db2.gz ZHJFNSHGNRQLQP-UHFFFAOYSA-N 0 0 459.951 4.688 20 0 JJADRN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC001459916453 1067489483 /nfs/dbraw/zinc/48/94/83/1067489483.db2.gz DAGSGBRDWZDHTH-RXVVDRJESA-N 0 0 459.587 4.897 20 0 JJADRN Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC001459917121 1067489907 /nfs/dbraw/zinc/48/99/07/1067489907.db2.gz BTULEAJQEHTDNB-MRXNPFEDSA-N 0 0 452.324 4.541 20 0 JJADRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC001459919507 1067490717 /nfs/dbraw/zinc/49/07/17/1067490717.db2.gz KUDXOENUEMDBDJ-MJGOQNOKSA-N 0 0 459.587 4.736 20 0 JJADRN FC(F)Oc1ccc(-n2nnnc2CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001459921539 1067492314 /nfs/dbraw/zinc/49/23/14/1067492314.db2.gz KDPMNYTXWPBSNR-UHFFFAOYSA-N 0 0 452.292 4.860 20 0 JJADRN O=C(CCc1cccc(OCc2ccccc2)c1)N1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001459924187 1067493821 /nfs/dbraw/zinc/49/38/21/1067493821.db2.gz VLQHHPQMDTZEFR-XMMPIXPASA-N 0 0 450.579 4.812 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)c2)c1 ZINC001459924258 1067493893 /nfs/dbraw/zinc/49/38/93/1067493893.db2.gz VUWXOFXLXCXIIZ-DEOSSOPVSA-N 0 0 450.579 4.730 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC001459925830 1067494294 /nfs/dbraw/zinc/49/42/94/1067494294.db2.gz ZZRYJDAMBAIFKT-FUHIMQAGSA-N 0 0 451.405 4.802 20 0 JJADRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001459925465 1067494417 /nfs/dbraw/zinc/49/44/17/1067494417.db2.gz VJEAFFJADWGVFU-PCCBWWKXSA-N 0 0 463.416 4.802 20 0 JJADRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001459927105 1067494848 /nfs/dbraw/zinc/49/48/48/1067494848.db2.gz ZCHVUHNWBLMSME-LJQANCHMSA-N 0 0 458.990 4.697 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@@H](CC)c3nc(C)cs3)cc2)cc1 ZINC001459930520 1067495997 /nfs/dbraw/zinc/49/59/97/1067495997.db2.gz ZCNBLFUJBFPWOG-NRFANRHFSA-N 0 0 452.580 4.782 20 0 JJADRN O=C(OC[C@H]1CCCCN1C(=O)C(F)(F)c1ccccc1Br)N1CCCCC1 ZINC001459933588 1067497399 /nfs/dbraw/zinc/49/73/99/1067497399.db2.gz IFOAAPIWXRFFOW-OAHLLOKOSA-N 0 0 459.331 4.545 20 0 JJADRN O=C(CCc1nc(C2CCCC2)no1)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459933838 1067497505 /nfs/dbraw/zinc/49/75/05/1067497505.db2.gz FQLPNWXZWKVRRE-UHFFFAOYSA-N 0 0 453.446 4.716 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC001459936228 1067498413 /nfs/dbraw/zinc/49/84/13/1067498413.db2.gz ZOORDGZIBOUQJW-NVXWUHKLSA-N 0 0 458.430 4.892 20 0 JJADRN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC001459936227 1067498593 /nfs/dbraw/zinc/49/85/93/1067498593.db2.gz ZOORDGZIBOUQJW-DOTOQJQBSA-N 0 0 458.430 4.892 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001459938097 1067498982 /nfs/dbraw/zinc/49/89/82/1067498982.db2.gz YDRXYVQOKYSATL-OAQYLSRUSA-N 0 0 458.484 4.520 20 0 JJADRN COC(=O)Nc1cc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)ccc1F ZINC001459939127 1067499545 /nfs/dbraw/zinc/49/95/45/1067499545.db2.gz YSCDLOXXKRMJDA-UHFFFAOYSA-N 0 0 456.377 4.673 20 0 JJADRN CCCCCCN(C(=O)CN1CC[C@@](O)(C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC001459942041 1067500497 /nfs/dbraw/zinc/50/04/97/1067500497.db2.gz WCZANYFPPBBPHH-NRFANRHFSA-N 0 0 455.546 4.723 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](C)C3)s1 ZINC001459943416 1067500985 /nfs/dbraw/zinc/50/09/85/1067500985.db2.gz FABSEGXRQXBSIV-NSHDSACASA-N 0 0 450.582 4.714 20 0 JJADRN C[C@]1(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1(Br)Br ZINC001459943739 1067501062 /nfs/dbraw/zinc/50/10/62/1067501062.db2.gz UGMCZPGINMSSBU-GOSISDBHSA-N 0 0 453.174 4.778 20 0 JJADRN O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCC=C(c3ccccc3)C2)CC1 ZINC001459943642 1067501069 /nfs/dbraw/zinc/50/10/69/1067501069.db2.gz JTBKAYFOUHNOCM-UHFFFAOYSA-N 0 0 453.380 4.617 20 0 JJADRN CCOC(=O)c1ncc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](C)C3)s1 ZINC001459943413 1067501078 /nfs/dbraw/zinc/50/10/78/1067501078.db2.gz FABSEGXRQXBSIV-LLVKDONJSA-N 0 0 450.582 4.714 20 0 JJADRN C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)C1 ZINC001459944372 1067501428 /nfs/dbraw/zinc/50/14/28/1067501428.db2.gz IPIMJKFJCGFIII-UKRRQHHQSA-N 0 0 450.601 4.776 20 0 JJADRN C[C@H](c1ccccc1)N(C(=O)c1cnn(-c2ccccc2)c1I)C1CC1 ZINC001459944737 1067501888 /nfs/dbraw/zinc/50/18/88/1067501888.db2.gz HXIHICPOLIQDIO-OAHLLOKOSA-N 0 0 457.315 4.843 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2sc3ccc(Br)cc3c2C)C1 ZINC001459945052 1067501963 /nfs/dbraw/zinc/50/19/63/1067501963.db2.gz FHPHDUJXODBEQE-INIZCTEOSA-N 0 0 450.276 4.540 20 0 JJADRN C[C@@H]1CCc2c(sc(NC(=O)c3c(Br)cnn3C)c2C(=O)OC(C)(C)C)C1 ZINC001459945614 1067502214 /nfs/dbraw/zinc/50/22/14/1067502214.db2.gz OKUURROCYYJSJT-SNVBAGLBSA-N 0 0 454.390 4.577 20 0 JJADRN C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCC(=O)N4C)c2C(=O)OC(C)(C)C)C1 ZINC001459946828 1067502641 /nfs/dbraw/zinc/50/26/41/1067502641.db2.gz VNNGZMAZXYWBIH-AWEZNQCLSA-N 0 0 454.592 4.990 20 0 JJADRN COCCC[C@H](CNC(=O)COc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC001459947170 1067502650 /nfs/dbraw/zinc/50/26/50/1067502650.db2.gz RVYNSXBTZMDXDX-OAHLLOKOSA-N 0 0 458.755 4.947 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC001459948790 1067503460 /nfs/dbraw/zinc/50/34/60/1067503460.db2.gz YYIMJXPZHRYPOP-PXNSSMCTSA-N 0 0 459.436 4.752 20 0 JJADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC001459948796 1067503572 /nfs/dbraw/zinc/50/35/72/1067503572.db2.gz YYIMJXPZHRYPOP-XLIONFOSSA-N 0 0 459.436 4.752 20 0 JJADRN CC(C)N1C(=O)C[C@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459952897 1067505213 /nfs/dbraw/zinc/50/52/13/1067505213.db2.gz UWSUUTJICWHYKK-GHTZIAJQSA-N 0 0 456.320 4.550 20 0 JJADRN CC(C)N1C(=O)C[C@H](NCC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459952905 1067505318 /nfs/dbraw/zinc/50/53/18/1067505318.db2.gz UWSUUTJICWHYKK-RXVVDRJESA-N 0 0 456.320 4.550 20 0 JJADRN O=C([C@@H]1COc2ccc(Br)cc21)N1CCc2cc(Cl)cc(Br)c21 ZINC001459955858 1067506509 /nfs/dbraw/zinc/50/65/09/1067506509.db2.gz YFBMBNJXXPENGL-CYBMUJFWSA-N 0 0 457.549 4.930 20 0 JJADRN COc1cc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC001459956695 1067506641 /nfs/dbraw/zinc/50/66/41/1067506641.db2.gz HARRKENGGWFQHO-QGZVFWFLSA-N 0 0 450.379 4.944 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001459957199 1067506655 /nfs/dbraw/zinc/50/66/55/1067506655.db2.gz CIZRZVVMGKUERC-QMIHWGKISA-N 0 0 457.368 4.883 20 0 JJADRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001459956616 1067506776 /nfs/dbraw/zinc/50/67/76/1067506776.db2.gz BUQDUSHQAOZSCA-QKLQHJQFSA-N 0 0 456.970 4.710 20 0 JJADRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC001459958298 1067507088 /nfs/dbraw/zinc/50/70/88/1067507088.db2.gz FHPYSAPWWSDWND-ACJLOTCBSA-N 0 0 455.755 4.951 20 0 JJADRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1nc(-c2ccccc2)co1 ZINC001459965263 1067509594 /nfs/dbraw/zinc/50/95/94/1067509594.db2.gz LLXLARKGPWTWCF-UHFFFAOYSA-N 0 0 454.408 4.984 20 0 JJADRN CN(Cc1csc(-c2ccoc2)n1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001459969098 1067510449 /nfs/dbraw/zinc/51/04/49/1067510449.db2.gz XHGFQYKRGPIAPO-UHFFFAOYSA-N 0 0 451.386 4.947 20 0 JJADRN O=C(N1CCN(c2cccc(Br)c2)CC1)C1(CCCOCc2ccccc2)CC1 ZINC001459972826 1067511104 /nfs/dbraw/zinc/51/11/04/1067511104.db2.gz CHIXBYUADZWCMB-UHFFFAOYSA-N 0 0 457.412 4.875 20 0 JJADRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001459973772 1067511787 /nfs/dbraw/zinc/51/17/87/1067511787.db2.gz JNHRODKOYKIBFY-QHCPKHFHSA-N 0 0 457.496 4.673 20 0 JJADRN CCOc1ccc(C[C@@H](C)C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459973989 1067511863 /nfs/dbraw/zinc/51/18/63/1067511863.db2.gz GMJWVSWYAQQHPQ-DVECYGJZSA-N 0 0 452.595 4.915 20 0 JJADRN CCOc1ccc(C[C@H](C)C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1 ZINC001459973981 1067511898 /nfs/dbraw/zinc/51/18/98/1067511898.db2.gz GMJWVSWYAQQHPQ-CYFREDJKSA-N 0 0 452.595 4.915 20 0 JJADRN COCc1c2ccccc2oc1C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001459975549 1067512270 /nfs/dbraw/zinc/51/22/70/1067512270.db2.gz KBVHEOZIYVBOGD-NRFANRHFSA-N 0 0 450.535 4.844 20 0 JJADRN COc1ccc(N=c2scc(CN3C[C@H](O)CC(F)(F)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459975350 1067512280 /nfs/dbraw/zinc/51/22/80/1067512280.db2.gz YMAIJRCDYSHCNW-DYESRHJHSA-N 0 0 459.562 4.602 20 0 JJADRN CC(C)Oc1ncc(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1Cl ZINC001459976763 1067512530 /nfs/dbraw/zinc/51/25/30/1067512530.db2.gz NZZXQFYPTXLKQC-FQEVSTJZSA-N 0 0 459.974 4.787 20 0 JJADRN O=C(c1cc(=O)[nH]c2ccccc21)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 ZINC001459976254 1067512589 /nfs/dbraw/zinc/51/25/89/1067512589.db2.gz YHNFZBMYWKIILP-UHFFFAOYSA-N 0 0 457.715 4.926 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001459977222 1067512897 /nfs/dbraw/zinc/51/28/97/1067512897.db2.gz YUCXZHLOPVHFKU-QFIPXVFZSA-N 0 0 458.961 4.921 20 0 JJADRN CC[C@H](Cc1ccccc1Br)N(C)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC001459979540 1067514439 /nfs/dbraw/zinc/51/44/39/1067514439.db2.gz JERDFOXWOGNHRC-QGZVFWFLSA-N 0 0 455.404 4.721 20 0 JJADRN CC[C@@](NC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001459981340 1067514841 /nfs/dbraw/zinc/51/48/41/1067514841.db2.gz UJNLAFNDWSQVHR-QHCPKHFHSA-N 0 0 458.345 4.967 20 0 JJADRN COCCc1ccnc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1 ZINC001459983934 1067515066 /nfs/dbraw/zinc/51/50/66/1067515066.db2.gz ATNHTOSMDJPAMV-UHFFFAOYSA-N 0 0 454.118 4.794 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(CCC(=O)Nc1cccc(Br)c1)CC2 ZINC001459982539 1067515293 /nfs/dbraw/zinc/51/52/93/1067515293.db2.gz GOSGKGQQQYMSPU-UHFFFAOYSA-N 0 0 452.190 4.907 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1Br ZINC001459984096 1067515599 /nfs/dbraw/zinc/51/55/99/1067515599.db2.gz CIHASRGDCSOJRN-UHFFFAOYSA-N 0 0 456.667 4.777 20 0 JJADRN COc1c(NC(=O)c2cc3ccccc3n2CC(F)(F)F)cc(Cl)cc1C(=O)N(C)C ZINC001459986531 1067515990 /nfs/dbraw/zinc/51/59/90/1067515990.db2.gz NFMKTTQFADXYSE-UHFFFAOYSA-N 0 0 453.848 4.820 20 0 JJADRN CCc1ccc(N2CCN(C(=O)c3cccc(OCC(=O)OC(C)(C)C)c3)CC2)cc1Cl ZINC001459987030 1067516401 /nfs/dbraw/zinc/51/64/01/1067516401.db2.gz QFMWCUAFUTWASE-UHFFFAOYSA-N 0 0 458.986 4.585 20 0 JJADRN O=C(CN1CCC(=Cc2ccc(F)c(F)c2)CC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459987906 1067516635 /nfs/dbraw/zinc/51/66/35/1067516635.db2.gz AAFJGHMOLFVVSZ-UHFFFAOYSA-N 0 0 454.439 4.658 20 0 JJADRN COc1ccc([C@@H](NC(=O)CN2CCc3cccc(NC(=O)OC(C)(C)C)c32)C2CC2)cc1 ZINC001459988673 1067516795 /nfs/dbraw/zinc/51/67/95/1067516795.db2.gz JQKKSCBJCWZEPM-QHCPKHFHSA-N 0 0 451.567 4.672 20 0 JJADRN CC(C)(C)c1nc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)co1 ZINC001459989782 1067517183 /nfs/dbraw/zinc/51/71/83/1067517183.db2.gz GDOGCTIENAADTB-UHFFFAOYSA-N 0 0 454.976 4.547 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC001459989415 1067517260 /nfs/dbraw/zinc/51/72/60/1067517260.db2.gz QVFCERFFVYYCMJ-GOSISDBHSA-N 0 0 453.930 4.772 20 0 JJADRN Cc1ccc(CNC(=O)c2nnc(CN3CCC(=Cc4ccc(F)c(F)c4)CC3)s2)cc1 ZINC001459993906 1067518751 /nfs/dbraw/zinc/51/87/51/1067518751.db2.gz KGOWBMMRTIVNBP-UHFFFAOYSA-N 0 0 454.546 4.734 20 0 JJADRN CC(=O)N(c1nc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cs1)c1ccc(F)cc1 ZINC001459994975 1067519229 /nfs/dbraw/zinc/51/92/29/1067519229.db2.gz MOYMLDYZXJZPEP-UHFFFAOYSA-N 0 0 457.546 4.676 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3nc4c(s3)CSCC4)[nH]c(=O)c2c1C ZINC001459997122 1067519837 /nfs/dbraw/zinc/51/98/37/1067519837.db2.gz ZPHJNKUZIWLMRI-JTQLQIEISA-N 0 0 452.652 4.520 20 0 JJADRN CC[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(OC)c(OC)c1 ZINC001459998087 1067520314 /nfs/dbraw/zinc/52/03/14/1067520314.db2.gz WFIFZKPHKCXHBG-OAHLLOKOSA-N 0 0 459.711 4.843 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)CC2=O)cc1F ZINC001459998948 1067520601 /nfs/dbraw/zinc/52/06/01/1067520601.db2.gz SVSHPJYCYBCFHP-KKSFZXQISA-N 0 0 450.432 4.653 20 0 JJADRN CCNC(=O)OC[C@H]1CCCCN1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001459998550 1067520650 /nfs/dbraw/zinc/52/06/50/1067520650.db2.gz ROHAISDVNIJBQJ-MWWKQMNYSA-N 0 0 452.395 4.865 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)CC2=O)cc1F ZINC001459998943 1067520654 /nfs/dbraw/zinc/52/06/54/1067520654.db2.gz SVSHPJYCYBCFHP-IIBYNOLFSA-N 0 0 450.432 4.653 20 0 JJADRN Cc1ccc(N2C[C@H](C(=O)N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)CC2=O)cc1F ZINC001459998938 1067520659 /nfs/dbraw/zinc/52/06/59/1067520659.db2.gz SVSHPJYCYBCFHP-IERDGZPVSA-N 0 0 450.432 4.653 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@@H](C)C[C@H]3c3cccnc3)cc2)cc1 ZINC001459999439 1067520917 /nfs/dbraw/zinc/52/09/17/1067520917.db2.gz ZEMISGQYIYAGCT-DFBJGRDBSA-N 0 0 458.562 4.754 20 0 JJADRN O=C(N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC001459999342 1067521050 /nfs/dbraw/zinc/52/10/50/1067521050.db2.gz ULQHVMWQTJYGCU-GOSISDBHSA-N 0 0 454.811 4.840 20 0 JJADRN O=C(CCSc1ccc(Cl)cc1)OCc1cn(-c2ccccc2Br)nn1 ZINC001460003058 1067522338 /nfs/dbraw/zinc/52/23/38/1067522338.db2.gz BCACIMRXMZEOFK-UHFFFAOYSA-N 0 0 452.761 4.909 20 0 JJADRN CNc1ccc(C(F)(F)F)cc1C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC001460007766 1067524689 /nfs/dbraw/zinc/52/46/89/1067524689.db2.gz SXPWEQDSVFGBOU-UHFFFAOYSA-N 0 0 455.376 4.526 20 0 JJADRN COc1cc(I)c(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001460008274 1067525139 /nfs/dbraw/zinc/52/51/39/1067525139.db2.gz XDMIPLIPTUIITF-UHFFFAOYSA-N 0 0 456.589 4.619 20 0 JJADRN CO[C@@H]1CC[C@@H](OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 ZINC001460008630 1067525293 /nfs/dbraw/zinc/52/52/93/1067525293.db2.gz KXNJRBSFGPHURP-NHCUHLMSSA-N 0 0 455.352 4.955 20 0 JJADRN Cc1cc(=O)c(C(=O)N2CCC(C)(C)c3ccc(Br)cc32)nn1-c1ccccc1 ZINC001460010106 1067526083 /nfs/dbraw/zinc/52/60/83/1067526083.db2.gz WRYRGUSOVZXCRR-UHFFFAOYSA-N 0 0 452.352 4.632 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC3(CCOCC3)O2)[C@H](c2ccccc2Cl)C1 ZINC001460010369 1067526112 /nfs/dbraw/zinc/52/61/12/1067526112.db2.gz GIPCYUQDWMCUDM-RXVVDRJESA-N 0 0 451.007 4.662 20 0 JJADRN CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)cc1 ZINC001460011139 1067526507 /nfs/dbraw/zinc/52/65/07/1067526507.db2.gz JJMJNNBDPSKFRV-FQEVSTJZSA-N 0 0 458.407 4.614 20 0 JJADRN CN(CCC(F)(F)F)[C@H](CNC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(Cl)cc1 ZINC001460013266 1067527266 /nfs/dbraw/zinc/52/72/66/1067527266.db2.gz HBXQMRYAMPJGJJ-GOSISDBHSA-N 0 0 451.876 4.949 20 0 JJADRN CC[C@@H]1[C@@H](C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CCN1C(=O)OC(C)(C)C ZINC001460013520 1067527362 /nfs/dbraw/zinc/52/73/62/1067527362.db2.gz ITSVRODJVNFTCE-AZUAARDMSA-N 0 0 450.023 4.723 20 0 JJADRN CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC001460018693 1067529557 /nfs/dbraw/zinc/52/95/57/1067529557.db2.gz JSUUCVYKOGJNAX-QFIPXVFZSA-N 0 0 458.624 4.562 20 0 JJADRN O=C(Oc1cnc2ccc(Cl)cc2c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001460021171 1067530899 /nfs/dbraw/zinc/53/08/99/1067530899.db2.gz RJBANTLIVWELCM-LJQANCHMSA-N 0 0 459.727 4.861 20 0 JJADRN CCn1ccnc1[C@H]1CCCCN1CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001460021710 1067531405 /nfs/dbraw/zinc/53/14/05/1067531405.db2.gz FEJWIUXPPYFPGJ-PXDATVDWSA-N 0 0 457.018 4.580 20 0 JJADRN O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(I)cc1F ZINC001460023607 1067531962 /nfs/dbraw/zinc/53/19/62/1067531962.db2.gz NLHRXFNEDCWKLO-UHFFFAOYSA-N 0 0 455.658 4.581 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)[C@@H](c2cccnc2)C1 ZINC001460023363 1067532288 /nfs/dbraw/zinc/53/22/88/1067532288.db2.gz HVIFNHZEDXQBPR-LJQANCHMSA-N 0 0 455.946 4.579 20 0 JJADRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC001460023386 1067532391 /nfs/dbraw/zinc/53/23/91/1067532391.db2.gz IMPMEDOAYWNVTF-AWEZNQCLSA-N 0 0 456.801 4.921 20 0 JJADRN CC1(c2cccc(Cl)c2)CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC001460024963 1067532720 /nfs/dbraw/zinc/53/27/20/1067532720.db2.gz WWSHEFKGDFGYFC-UHFFFAOYSA-N 0 0 456.833 4.930 20 0 JJADRN CCCc1nc(C(=O)N2CCc3ccc(Br)cc3C2)nn1-c1ccccc1Cl ZINC001460030630 1067533961 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O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=Cc1cccc(Cl)c1)c1cccs1 ZINC001460045323 1067537982 /nfs/dbraw/zinc/53/79/82/1067537982.db2.gz ZXXOZWHJCHIVRO-XDHOZWIPSA-N 0 0 451.935 4.633 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN(C)Cc3ccc(F)cc3Br)sc2c1 ZINC001460046486 1067538279 /nfs/dbraw/zinc/53/82/79/1067538279.db2.gz HBJMCBNKWAEICF-UHFFFAOYSA-N 0 0 452.349 4.667 20 0 JJADRN Cc1ccccc1Cc1noc(CN(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001460046916 1067538907 /nfs/dbraw/zinc/53/89/07/1067538907.db2.gz AMYAFLYNSFZRRZ-UHFFFAOYSA-N 0 0 450.583 4.886 20 0 JJADRN CN=[S@@](C)(=O)c1cccc(NC(=O)c2cc(Br)sc2Br)c1 ZINC001460053208 1067539616 /nfs/dbraw/zinc/53/96/16/1067539616.db2.gz JWELLKRMLMMPMZ-NRFANRHFSA-N 0 0 452.193 4.612 20 0 JJADRN CC(C)(C)[C@@H]1CSCCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001460055887 1067540642 /nfs/dbraw/zinc/54/06/42/1067540642.db2.gz MUGMFZLGNFYAKB-ZDUSSCGKSA-N 0 0 457.299 4.914 20 0 JJADRN CCOC(=O)c1csc([C@@H]2CCCN2CCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001460057495 1067541345 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20 0 JJADRN C[C@H](C(=O)O[C@@H](C)c1ccc(F)c(I)c1)n1ccc(C(F)(F)F)n1 ZINC001460063710 1067543228 /nfs/dbraw/zinc/54/32/28/1067543228.db2.gz XPGUVEUCGODXSO-BDAKNGLRSA-N 0 0 456.177 4.511 20 0 JJADRN O=C(CN1CCOC[C@@H]1CC(F)F)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001460063560 1067543289 /nfs/dbraw/zinc/54/32/89/1067543289.db2.gz GYNAWRJTSIJSGD-INIZCTEOSA-N 0 0 455.299 4.536 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CCS1 ZINC001546113634 1067543770 /nfs/dbraw/zinc/54/37/70/1067543770.db2.gz FPRBMVWCKXPFAN-UHFFFAOYSA-N 0 0 477.675 4.535 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001460067586 1067544698 /nfs/dbraw/zinc/54/46/98/1067544698.db2.gz BMZDHWLMGLLWSY-JKSUJKDBSA-N 0 0 452.860 4.615 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001460067165 1067544835 /nfs/dbraw/zinc/54/48/35/1067544835.db2.gz BMZDHWLMGLLWSY-CVEARBPZSA-N 0 0 452.860 4.615 20 0 JJADRN CC(C)c1ccc(C2(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)CCCCC2)cc1 ZINC001460070355 1067545634 /nfs/dbraw/zinc/54/56/34/1067545634.db2.gz ISNNCCPSKGKVGL-UXHICEINSA-N 0 0 450.545 4.881 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCC[C@H]2C)CCS1 ZINC001546113649 1067545675 /nfs/dbraw/zinc/54/56/75/1067545675.db2.gz GAHLJKMZLNSTLU-IBVKSMDESA-N 0 0 485.698 4.810 20 0 JJADRN O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001460071766 1067545998 /nfs/dbraw/zinc/54/59/98/1067545998.db2.gz ZGPMPTLWHSCPQC-HXUWFJFHSA-N 0 0 453.391 4.755 20 0 JJADRN CCOc1ccc2nc(NC(=O)CN(C)Cc3ccc(OCC(F)(F)F)cc3)sc2c1 ZINC001460075894 1067547641 /nfs/dbraw/zinc/54/76/41/1067547641.db2.gz BEHZQFKBFLACJJ-UHFFFAOYSA-N 0 0 453.486 4.707 20 0 JJADRN COCC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc(C(F)(F)F)c1 ZINC001460076161 1067547732 /nfs/dbraw/zinc/54/77/32/1067547732.db2.gz LQRXXMYRLGLBTF-FQEVSTJZSA-N 0 0 459.468 4.585 20 0 JJADRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC1(Cc2ccccc2)CCOCC1 ZINC001460078054 1067548132 /nfs/dbraw/zinc/54/81/32/1067548132.db2.gz WSQIPLYDOQAZGG-UHFFFAOYSA-N 0 0 451.998 4.902 20 0 JJADRN COc1cccc([C@@H]2C[C@H]2NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC001460079759 1067548470 /nfs/dbraw/zinc/54/84/70/1067548470.db2.gz YICNLTYOTWKQKN-FCHUYYIVSA-N 0 0 465.347 4.996 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC)CCS1 ZINC001546113697 1067548518 /nfs/dbraw/zinc/54/85/18/1067548518.db2.gz IGSYWGHBDXTCPP-HXUWFJFHSA-N 0 0 494.727 4.582 20 0 JJADRN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC001460080351 1067548564 /nfs/dbraw/zinc/54/85/64/1067548564.db2.gz NIUWDUJMGFIMGC-UHFFFAOYSA-N 0 0 457.496 4.857 20 0 JJADRN COCC[C@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC001460081299 1067548939 /nfs/dbraw/zinc/54/89/39/1067548939.db2.gz VVRJYFNPTXTKLG-INIZCTEOSA-N 0 0 457.518 4.583 20 0 JJADRN CCOC(=O)[C@H](N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1F ZINC001460082409 1067549327 /nfs/dbraw/zinc/54/93/27/1067549327.db2.gz UGJWIFAWZYVPQV-YLJYHZDGSA-N 0 0 454.336 4.951 20 0 JJADRN O=C(CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001460083176 1067549348 /nfs/dbraw/zinc/54/93/48/1067549348.db2.gz IXAPOJMPVRJHBJ-JGVFFNPUSA-N 0 0 454.103 4.731 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)CCS1 ZINC001546113741 1067549377 /nfs/dbraw/zinc/54/93/77/1067549377.db2.gz JKHPIUMNFBJUAW-UHFFFAOYSA-N 0 0 476.687 4.956 20 0 JJADRN O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1cc(Br)cnc1F ZINC001460085821 1067550144 /nfs/dbraw/zinc/55/01/44/1067550144.db2.gz XRJROGJHSOBSGB-UHFFFAOYSA-N 0 0 452.663 4.841 20 0 JJADRN FC(F)Oc1ccc(-n2nnnc2CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001460086255 1067550394 /nfs/dbraw/zinc/55/03/94/1067550394.db2.gz NEQSTSHCSSMHFI-OAHLLOKOSA-N 0 0 453.415 4.662 20 0 JJADRN O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(I)c(Cl)cc1Cl ZINC001460088229 1067550605 /nfs/dbraw/zinc/55/06/05/1067550605.db2.gz GGBQWSSHZQADGT-QLJPJBMISA-N 0 0 477.129 4.643 20 0 JJADRN CCC1(CC)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccco2)CCS1 ZINC001546113777 1067550753 /nfs/dbraw/zinc/55/07/53/1067550753.db2.gz KRDMUULDPJPXJP-VWLOTQADSA-N 0 0 497.665 4.760 20 0 JJADRN CC(C)CN(CC(=O)NCc1ccccc1CN1CCCC1=O)[C@H](C)c1ccccc1Cl ZINC001460087728 1067550760 /nfs/dbraw/zinc/55/07/60/1067550760.db2.gz CHXIZDKJQBFABI-HXUWFJFHSA-N 0 0 456.030 4.798 20 0 JJADRN CC[C@](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088501 1067551137 /nfs/dbraw/zinc/55/11/37/1067551137.db2.gz DKJODAFGPYHDBA-YEJXKQKISA-N 0 0 457.785 4.892 20 0 JJADRN OC[C@@]1(N(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088759 1067551146 /nfs/dbraw/zinc/55/11/46/1067551146.db2.gz IQWFDCUMIRXWHU-QFIPXVFZSA-N 0 0 450.432 4.653 20 0 JJADRN CC[C@@](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC001460088497 1067551424 /nfs/dbraw/zinc/55/14/24/1067551424.db2.gz DKJODAFGPYHDBA-ASSNKEHSSA-N 0 0 457.785 4.892 20 0 JJADRN CCc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1Cl ZINC001460090058 1067551836 /nfs/dbraw/zinc/55/18/36/1067551836.db2.gz OEUAGMVXBWBAGT-HNNXBMFYSA-N 0 0 450.808 4.814 20 0 JJADRN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2ccc3c(n2)CCCC3=O)s1 ZINC001460090913 1067552307 /nfs/dbraw/zinc/55/23/07/1067552307.db2.gz AJZWRCVIQDCMNE-UHFFFAOYSA-N 0 0 458.337 4.748 20 0 JJADRN O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001460093798 1067552651 /nfs/dbraw/zinc/55/26/51/1067552651.db2.gz KCXGFHAUFCOKSF-UHFFFAOYSA-N 0 0 456.514 4.671 20 0 JJADRN Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001460092848 1067552729 /nfs/dbraw/zinc/55/27/29/1067552729.db2.gz JSXPJDUEWADZEB-UHFFFAOYSA-N 0 0 450.398 4.750 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001460095431 1067553474 /nfs/dbraw/zinc/55/34/74/1067553474.db2.gz VDNSWYQTSGBTNN-MRXNPFEDSA-N 0 0 459.359 4.917 20 0 JJADRN O=C(NC1(c2ccccc2Br)CCCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001460095429 1067553502 /nfs/dbraw/zinc/55/35/02/1067553502.db2.gz VDNSWYQTSGBTNN-INIZCTEOSA-N 0 0 459.359 4.917 20 0 JJADRN CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)c(I)s1)c1cccnc1 ZINC001460101335 1067555159 /nfs/dbraw/zinc/55/51/59/1067555159.db2.gz RLUWYLBKVXKQCE-SECBINFHSA-N 0 0 455.243 4.540 20 0 JJADRN O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N(c1ccccc1)C1CC1 ZINC001460101816 1067555174 /nfs/dbraw/zinc/55/51/74/1067555174.db2.gz UKTKXWRXEHXSJC-UHFFFAOYSA-N 0 0 453.391 4.590 20 0 JJADRN CN(C)S(=O)(=O)c1cccc(CN[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001460102278 1067555584 /nfs/dbraw/zinc/55/55/84/1067555584.db2.gz LDGRYBBDBXMHHC-QFIPXVFZSA-N 0 0 451.617 4.620 20 0 JJADRN CCC1(CC)CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)(F)F)CCS1 ZINC001546113931 1067556563 /nfs/dbraw/zinc/55/65/63/1067556563.db2.gz OYAWHMOLCDJRDV-UHFFFAOYSA-N 0 0 495.615 4.539 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CN3CCC[C@@H](C(F)(F)F)[C@H]3C(F)(F)F)C2)CC1 ZINC001460112234 1067557239 /nfs/dbraw/zinc/55/72/39/1067557239.db2.gz VAEQQUAYNOCQOC-OAGGEKHMSA-N 0 0 474.486 4.998 20 0 JJADRN CC(=O)N[C@@H](CC(=O)Nc1ccc2c(Cl)ccc(Br)c2n1)c1cccs1 ZINC001460111642 1067557345 /nfs/dbraw/zinc/55/73/45/1067557345.db2.gz KVWHYNPHLCCCRG-AWEZNQCLSA-N 0 0 452.761 4.918 20 0 JJADRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC001460112782 1067557689 /nfs/dbraw/zinc/55/76/89/1067557689.db2.gz MRPYQRJYRFGUHA-AWEZNQCLSA-N 0 0 456.793 4.681 20 0 JJADRN O=C(Nc1cccc2c(Br)ccnc12)c1cc(Br)c2nccnc2c1 ZINC001460113141 1067557737 /nfs/dbraw/zinc/55/77/37/1067557737.db2.gz CNUNLENOMPCDLW-UHFFFAOYSA-N 0 0 458.113 4.955 20 0 JJADRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1c(F)cccc1C(=O)OCc1ccccc1 ZINC001460115335 1067558299 /nfs/dbraw/zinc/55/82/99/1067558299.db2.gz LYSGGNZKVKRPFT-UHFFFAOYSA-N 0 0 459.477 4.793 20 0 JJADRN COc1cc(-c2noc(CNC(C)(C)c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC ZINC001460117368 1067558682 /nfs/dbraw/zinc/55/86/82/1067558682.db2.gz FRAMMOTWYZEPFG-UHFFFAOYSA-N 0 0 451.445 4.806 20 0 JJADRN CCn1c(SCC(=O)Nc2cccc3c(Br)ccnc23)nnc1-c1ccco1 ZINC001460116763 1067558763 /nfs/dbraw/zinc/55/87/63/1067558763.db2.gz QDGAXVPRTLTPMG-UHFFFAOYSA-N 0 0 458.341 4.600 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CCS1 ZINC001546113995 1067558936 /nfs/dbraw/zinc/55/89/36/1067558936.db2.gz ROFFZBDHXSUJFP-GAJHUEQPSA-N 0 0 492.089 4.662 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CCS1 ZINC001546113996 1067558986 /nfs/dbraw/zinc/55/89/86/1067558986.db2.gz ROFFZBDHXSUJFP-HXOBKFHXSA-N 0 0 492.089 4.662 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@@H]2C)CCS1 ZINC001546114006 1067559010 /nfs/dbraw/zinc/55/90/10/1067559010.db2.gz RWZYGKHUKFBVBX-LZCXECNNSA-N 0 0 488.698 4.687 20 0 JJADRN CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC001460121283 1067559391 /nfs/dbraw/zinc/55/93/91/1067559391.db2.gz GYLGWNOSYXPPIQ-JOCHJYFZSA-N 0 0 453.505 4.585 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)nc1 ZINC001460123290 1067559812 /nfs/dbraw/zinc/55/98/12/1067559812.db2.gz JPEMUSFWCCTEFC-HIFRSBDPSA-N 0 0 455.399 4.703 20 0 JJADRN Cc1cc(NC(=O)CN2CCC(F)(Cc3ccc(Cl)cc3)CC2)n(-c2ccc(F)cc2)n1 ZINC001460125120 1067559984 /nfs/dbraw/zinc/55/99/84/1067559984.db2.gz JNOLPHNLAYGOFZ-UHFFFAOYSA-N 0 0 458.940 4.959 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2Cc2cnn(Cc3ccccc3)c2)CCS1 ZINC001546114038 1067560664 /nfs/dbraw/zinc/56/06/64/1067560664.db2.gz SRWYWXWOZQZHEO-UHFFFAOYSA-N 0 0 452.672 4.981 20 0 JJADRN Cc1ccc(NC(=O)[C@@H](C)N2CCCN(c3cccc(F)c3F)CC2)c(Br)c1 ZINC001460130086 1067560851 /nfs/dbraw/zinc/56/08/51/1067560851.db2.gz ONWVFYOVLUWGBA-OAHLLOKOSA-N 0 0 452.343 4.575 20 0 JJADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2CCc2cnc3c(Cl)cnn3c2)CCS1 ZINC001546114049 1067560972 /nfs/dbraw/zinc/56/09/72/1067560972.db2.gz TUBGLEMJBFZXBD-UHFFFAOYSA-N 0 0 462.067 4.626 20 0 JJADRN COc1ccc(Br)c([C@H](CO)N(C)Cc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001460134047 1067561613 /nfs/dbraw/zinc/56/16/13/1067561613.db2.gz YCMBONVMWKXFBZ-KRWDZBQOSA-N 0 0 454.233 4.920 20 0 JJADRN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460135170 1067562003 /nfs/dbraw/zinc/56/20/03/1067562003.db2.gz MPSVURDGCROPFU-XUVXKRRUSA-N 0 0 453.530 4.972 20 0 JJADRN CC(C)Oc1cccc(CNC(=O)CN2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c1 ZINC001460135925 1067562071 /nfs/dbraw/zinc/56/20/71/1067562071.db2.gz DKYHFPFKBUHCNS-JTSKRJEESA-N 0 0 450.501 4.571 20 0 JJADRN CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001460143402 1067563817 /nfs/dbraw/zinc/56/38/17/1067563817.db2.gz HKWHSPHYIYIWKX-ZBFHGGJFSA-N 0 0 459.793 4.545 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001460144552 1067564182 /nfs/dbraw/zinc/56/41/82/1067564182.db2.gz KOAKCXIBWQYTBD-JKSUJKDBSA-N 0 0 451.445 4.747 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2n[nH]c(C)n2)CCS1 ZINC001546114197 1067564624 /nfs/dbraw/zinc/56/46/24/1067564624.db2.gz YTQOSEWHBANFLX-IBGZPJMESA-N 0 0 483.686 4.816 20 0 JJADRN CC(=O)N(c1nc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC001460147617 1067564846 /nfs/dbraw/zinc/56/48/46/1067564846.db2.gz HIQZDCRBXKRAOV-RTBURBONSA-N 0 0 456.656 4.912 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)n2)cc1C ZINC001460147171 1067564928 /nfs/dbraw/zinc/56/49/28/1067564928.db2.gz AQDBKLWZWCJMNI-OALUTQOASA-N 0 0 456.656 4.641 20 0 JJADRN Cc1cc(C)c(-c2csc(NC(=O)CN3[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)n2)cc1C ZINC001460147173 1067565006 /nfs/dbraw/zinc/56/50/06/1067565006.db2.gz AQDBKLWZWCJMNI-RTBURBONSA-N 0 0 456.656 4.641 20 0 JJADRN CN(C)C(=O)Nc1cccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 ZINC001460152299 1067566060 /nfs/dbraw/zinc/56/60/60/1067566060.db2.gz PRQGTFOQEWJFPS-UHFFFAOYSA-N 0 0 458.444 4.509 20 0 JJADRN CCOc1ccc(OCCCC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1 ZINC001460154044 1067566126 /nfs/dbraw/zinc/56/61/26/1067566126.db2.gz SJMYQZCIBRDQNH-GOSISDBHSA-N 0 0 455.505 4.517 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)Nc1ncc(C2CCOCC2)s1 ZINC001460163156 1067567928 /nfs/dbraw/zinc/56/79/28/1067567928.db2.gz WOOLIVULXBAQEO-UHFFFAOYSA-N 0 0 452.399 4.981 20 0 JJADRN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CN(C)[C@@H](CC)CO ZINC001460176444 1067571327 /nfs/dbraw/zinc/57/13/27/1067571327.db2.gz GHVVDEGSPBZYQM-ZDUSSCGKSA-N 0 0 459.395 4.540 20 0 JJADRN CN(CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001460176628 1067571425 /nfs/dbraw/zinc/57/14/25/1067571425.db2.gz DNVPTPWOWKKWGS-UHFFFAOYSA-N 0 0 458.628 4.597 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC001460179066 1067571968 /nfs/dbraw/zinc/57/19/68/1067571968.db2.gz HBWGCHBADVOAAY-MRXNPFEDSA-N 0 0 458.393 4.733 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC001460179065 1067572004 /nfs/dbraw/zinc/57/20/04/1067572004.db2.gz HBWGCHBADVOAAY-INIZCTEOSA-N 0 0 458.393 4.733 20 0 JJADRN CC[C@@H](c1ccccc1OC)N(C)CC(=O)Nc1ccc(I)cc1C ZINC001460181455 1067573120 /nfs/dbraw/zinc/57/31/20/1067573120.db2.gz HMIABXJQAOZTIF-SFHVURJKSA-N 0 0 452.336 4.630 20 0 JJADRN COC(=O)c1ccc(F)c(CN2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)c1 ZINC001460187322 1067574543 /nfs/dbraw/zinc/57/45/43/1067574543.db2.gz HLKLJTMDVNZQEM-OAHLLOKOSA-N 0 0 451.311 4.893 20 0 JJADRN COc1c(F)cc(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1F ZINC001460187120 1067574551 /nfs/dbraw/zinc/57/45/51/1067574551.db2.gz KMUUDADDRBWLSS-UHFFFAOYSA-N 0 0 454.473 4.607 20 0 JJADRN COC[C@@H](CNC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1 ZINC001460187155 1067574649 /nfs/dbraw/zinc/57/46/49/1067574649.db2.gz KSJVNNOXRMHIOD-OAHLLOKOSA-N 0 0 452.776 4.689 20 0 JJADRN Cc1noc(-c2ccc(NC(=O)c3cc(Br)c(C)cc3Br)cn2)n1 ZINC001460188481 1067574974 /nfs/dbraw/zinc/57/49/74/1067574974.db2.gz PJFGSEINORGDTL-UHFFFAOYSA-N 0 0 452.106 4.526 20 0 JJADRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193481 1067575973 /nfs/dbraw/zinc/57/59/73/1067575973.db2.gz IWYQKFVAXFMKNL-ZIAGYGMSSA-N 0 0 454.771 4.779 20 0 JJADRN Cc1cc2oc(=O)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(F)F)c2cc1C(C)C ZINC001460193563 1067576067 /nfs/dbraw/zinc/57/60/67/1067576067.db2.gz JAYCQCISKRQRTH-LJQANCHMSA-N 0 0 450.526 4.911 20 0 JJADRN CC(C)[C@@H]1C[C@@H](CNC(=O)CCCCCc2ccc(I)cc2)CCO1 ZINC001460198634 1067577199 /nfs/dbraw/zinc/57/71/99/1067577199.db2.gz DRPHYQYVSFHFBD-ICSRJNTNSA-N 0 0 457.396 4.962 20 0 JJADRN Cc1ccc2nc(COc3ccccc3C(=O)NCCOc3ccc(F)c(Cl)c3)cn2c1 ZINC001460204834 1067578597 /nfs/dbraw/zinc/57/85/97/1067578597.db2.gz QDVASONDMFKEBS-UHFFFAOYSA-N 0 0 453.901 4.823 20 0 JJADRN CCOC(=O)c1sc(NC(=O)c2ccc(F)cn2)nc1-c1ccc(Br)cc1 ZINC001460207507 1067579243 /nfs/dbraw/zinc/57/92/43/1067579243.db2.gz ACVVOFBCXMZNKN-UHFFFAOYSA-N 0 0 450.289 4.536 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CCCO2)CCS1 ZINC001546114641 1067579364 /nfs/dbraw/zinc/57/93/64/1067579364.db2.gz APMUETZJNZDHLJ-HSZRJFAPSA-N 0 0 460.644 4.643 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC001460208655 1067579526 /nfs/dbraw/zinc/57/95/26/1067579526.db2.gz CSUJJLQYPFSHPM-GOSISDBHSA-N 0 0 450.398 4.653 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1ncc(C(F)(F)F)cn1)CC1CCCCC1 ZINC001460211840 1067580769 /nfs/dbraw/zinc/58/07/69/1067580769.db2.gz MHFAOLACOSVNBY-QGZVFWFLSA-N 0 0 458.525 4.756 20 0 JJADRN COc1ccc(N(CC2CC2)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC001460214899 1067581288 /nfs/dbraw/zinc/58/12/88/1067581288.db2.gz ODVJUIGRZYDIGF-UHFFFAOYSA-N 0 0 450.560 4.577 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)CCS1 ZINC001546114777 1067582532 /nfs/dbraw/zinc/58/25/32/1067582532.db2.gz GIHIKCOZTPFEQO-IBGZPJMESA-N 0 0 480.078 4.691 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001460220905 1067582967 /nfs/dbraw/zinc/58/29/67/1067582967.db2.gz WDJPSSCWDPBGNS-NRFANRHFSA-N 0 0 458.961 4.872 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCO2)CCS1 ZINC001546114809 1067583040 /nfs/dbraw/zinc/58/30/40/1067583040.db2.gz HEMYUEWAMSUMIW-QGZVFWFLSA-N 0 0 451.036 4.898 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)CCS1 ZINC001546114816 1067583519 /nfs/dbraw/zinc/58/35/19/1067583519.db2.gz HSQJNKAFFPABRC-UHFFFAOYSA-N 0 0 490.720 4.879 20 0 JJADRN O=C(NCc1c(Br)cncc1Br)C1(c2cccc(F)c2)CCCC1 ZINC001460228053 1067584346 /nfs/dbraw/zinc/58/43/46/1067584346.db2.gz QOOGCXHTBHHESD-UHFFFAOYSA-N 0 0 456.153 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001460228558 1067584665 /nfs/dbraw/zinc/58/46/65/1067584665.db2.gz DARRAROAXPMZKU-BAGYTPMASA-N 0 0 462.606 4.878 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOC2=O)CCS1 ZINC001546114851 1067584958 /nfs/dbraw/zinc/58/49/58/1067584958.db2.gz IKPQVPWADBMDFR-UHFFFAOYSA-N 0 0 464.035 4.553 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)NC)c2)CCS1 ZINC001546114880 1067585653 /nfs/dbraw/zinc/58/56/53/1067585653.db2.gz JPYOKOKBWVARLY-UHFFFAOYSA-N 0 0 485.057 4.513 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)noc2C)CCS1 ZINC001546114928 1067585839 /nfs/dbraw/zinc/58/58/39/1067585839.db2.gz LEFKRWQSIORONG-UHFFFAOYSA-N 0 0 471.627 4.727 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)C(C)(C)C)CCS1 ZINC001546114931 1067585949 /nfs/dbraw/zinc/58/59/49/1067585949.db2.gz LNCJSRACYIFOSI-FQEVSTJZSA-N 0 0 460.644 4.847 20 0 JJADRN COc1ccccc1[C@H]1[C@H](C(=O)N(C)CCCOC(C)C)CCC(=O)N1c1ccc(C)cc1 ZINC001460234216 1067586703 /nfs/dbraw/zinc/58/67/03/1067586703.db2.gz IFZRGEKNLMERJM-BVAGGSTKSA-N 0 0 452.595 4.761 20 0 JJADRN Cn1c(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460236135 1067586892 /nfs/dbraw/zinc/58/68/92/1067586892.db2.gz VBKNISMIWRMCRV-AZUAARDMSA-N 0 0 458.965 4.859 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1cccc(F)c1 ZINC001460236034 1067586956 /nfs/dbraw/zinc/58/69/56/1067586956.db2.gz UJMGBHMVJOHNRF-DWLFOUALSA-N 0 0 473.976 4.577 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc(C(N)=O)c1 ZINC001460235295 1067586964 /nfs/dbraw/zinc/58/69/64/1067586964.db2.gz ZUJLDWGOAGHMDM-UHFFFAOYSA-N 0 0 453.608 4.667 20 0 JJADRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001460238454 1067587713 /nfs/dbraw/zinc/58/77/13/1067587713.db2.gz FTGQNOPJYWTCLM-IDHHARJASA-N 0 0 453.505 4.793 20 0 JJADRN COc1ccc(C[C@H]2CCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)C2)cc1 ZINC001460243240 1067589518 /nfs/dbraw/zinc/58/95/18/1067589518.db2.gz VBIXGOLYUDSUTC-FYYLOGMGSA-N 0 0 456.627 4.904 20 0 JJADRN COc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)C2)cc1 ZINC001460243249 1067589523 /nfs/dbraw/zinc/58/95/23/1067589523.db2.gz VBIXGOLYUDSUTC-JTHBVZDNSA-N 0 0 456.627 4.904 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1F ZINC001460242915 1067589542 /nfs/dbraw/zinc/58/95/42/1067589542.db2.gz UWMILUFRNXCGET-SIKLNZKXSA-N 0 0 472.511 4.782 20 0 JJADRN CN(C[C@@H](O)c1ccccc1Br)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001460245161 1067589871 /nfs/dbraw/zinc/58/98/71/1067589871.db2.gz IJNZBHGZHMVQML-ZWKOTPCHSA-N 0 0 458.183 4.527 20 0 JJADRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC001460245395 1067590412 /nfs/dbraw/zinc/59/04/12/1067590412.db2.gz ZLNRDWOAEFHURV-IMJJTQAJSA-N 0 0 454.411 4.813 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(NC(C)=O)c2)CCS1 ZINC001546115049 1067590750 /nfs/dbraw/zinc/59/07/50/1067590750.db2.gz PUQOIFQLRUANTB-UHFFFAOYSA-N 0 0 453.612 4.965 20 0 JJADRN CN(CC(=O)Nc1ccccc1Oc1ccccc1)C[C@H](O)c1ccccc1Br ZINC001460248120 1067590758 /nfs/dbraw/zinc/59/07/58/1067590758.db2.gz PAJJMBJJTHNLMG-NRFANRHFSA-N 0 0 455.352 4.845 20 0 JJADRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)N1C[C@H](O)C[C@H](C)C1 ZINC001460250208 1067591097 /nfs/dbraw/zinc/59/10/97/1067591097.db2.gz 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455.917 4.821 20 0 JJADRN O=C(COc1cccc(I)c1)OCc1cncc(-c2ccsc2)c1 ZINC001460353722 1067615454 /nfs/dbraw/zinc/61/54/54/1067615454.db2.gz DAJPYLLCYXVCOR-UHFFFAOYSA-N 0 0 451.285 4.537 20 0 JJADRN O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC001460355167 1067615829 /nfs/dbraw/zinc/61/58/29/1067615829.db2.gz AXBTZGRSBGWVRI-AXKWSIDASA-N 0 0 455.023 4.985 20 0 JJADRN C[C@H](OC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC001460356591 1067616326 /nfs/dbraw/zinc/61/63/26/1067616326.db2.gz HDIUDPXHDVEHNA-FXAWDEMLSA-N 0 0 453.514 4.924 20 0 JJADRN Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cs1 ZINC001460355934 1067616508 /nfs/dbraw/zinc/61/65/08/1067616508.db2.gz DZRBOZGUCVVHAL-UHFFFAOYSA-N 0 0 456.369 4.680 20 0 JJADRN CCOC(=O)[C@@H](NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CCCCCC1 ZINC001460357213 1067616925 /nfs/dbraw/zinc/61/69/25/1067616925.db2.gz LSJSHSFDKRRXKT-QFIPXVFZSA-N 0 0 454.533 4.688 20 0 JJADRN O=C(NCc1ccc(OC(F)F)c(F)c1)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001460357555 1067616972 /nfs/dbraw/zinc/61/69/72/1067616972.db2.gz CVIIJLSCWZXTNJ-UHFFFAOYSA-N 0 0 453.848 4.755 20 0 JJADRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001460358030 1067617406 /nfs/dbraw/zinc/61/74/06/1067617406.db2.gz WOULIODJHWQSTG-AWEZNQCLSA-N 0 0 456.306 4.617 20 0 JJADRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)O[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001460359668 1067617966 /nfs/dbraw/zinc/61/79/66/1067617966.db2.gz SFGHYYPFXMVULC-INIZCTEOSA-N 0 0 450.466 4.672 20 0 JJADRN CCOC(=O)c1cc(COC)cc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001460361814 1067618326 /nfs/dbraw/zinc/61/83/26/1067618326.db2.gz GHYHPMUNTUOUNC-UHFFFAOYSA-N 0 0 451.441 4.870 20 0 JJADRN COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC001460361455 1067618347 /nfs/dbraw/zinc/61/83/47/1067618347.db2.gz WBFYGAIAHUNRHS-HXUWFJFHSA-N 0 0 453.516 4.752 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C[C@@H](O)c1ccccc1Br ZINC001460364787 1067619007 /nfs/dbraw/zinc/61/90/07/1067619007.db2.gz QXFWFGYEUDIKND-MJXNMMHHSA-N 0 0 455.190 4.707 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cn1 ZINC001460365165 1067619080 /nfs/dbraw/zinc/61/90/80/1067619080.db2.gz XWSHVOILSKSWEF-UHFFFAOYSA-N 0 0 458.316 4.629 20 0 JJADRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460365299 1067619091 /nfs/dbraw/zinc/61/90/91/1067619091.db2.gz VJFCNKFJVDTXON-GAJHUEQPSA-N 0 0 469.379 4.934 20 0 JJADRN CC(C)Oc1cc(Br)ccc1C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC001460368588 1067619903 /nfs/dbraw/zinc/61/99/03/1067619903.db2.gz KGBGGPUOHONMFG-UHFFFAOYSA-N 0 0 450.348 4.897 20 0 JJADRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1=O ZINC001460372999 1067620869 /nfs/dbraw/zinc/62/08/69/1067620869.db2.gz HMXPBIKLDLOBFA-SGTLLEGYSA-N 0 0 453.739 4.724 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC001460373310 1067620872 /nfs/dbraw/zinc/62/08/72/1067620872.db2.gz JCEXKCBYVMJGDM-WHSLLNHNSA-N 0 0 450.476 4.892 20 0 JJADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)CC1=O ZINC001460372020 1067620889 /nfs/dbraw/zinc/62/08/89/1067620889.db2.gz GRNDGEGXTYKZIS-PZJWPPBQSA-N 0 0 452.570 4.600 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001460375513 1067621279 /nfs/dbraw/zinc/62/12/79/1067621279.db2.gz LUNJAPKCBWFWML-ACJLOTCBSA-N 0 0 451.311 4.518 20 0 JJADRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cccc(OCc3cccs3)c2)C1=O ZINC001460376351 1067621283 /nfs/dbraw/zinc/62/12/83/1067621283.db2.gz OIOBSPLKBDJBFH-UZUQRXQVSA-N 0 0 452.551 4.948 20 0 JJADRN CCCCCOc1ccc(Br)cc1CN1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001460376178 1067621298 /nfs/dbraw/zinc/62/12/98/1067621298.db2.gz OHZRCDNEWFQWAQ-MBSDFSHPSA-N 0 0 468.432 4.808 20 0 JJADRN O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC001460374506 1067621322 /nfs/dbraw/zinc/62/13/22/1067621322.db2.gz AFJCEJWYEVYZLD-WMZOPIPTSA-N 0 0 454.901 4.938 20 0 JJADRN COc1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC1CCCC1 ZINC001460376509 1067621684 /nfs/dbraw/zinc/62/16/84/1067621684.db2.gz OQBKAKAVIQPBDN-JTSKRJEESA-N 0 0 454.542 4.638 20 0 JJADRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC001460378160 1067622091 /nfs/dbraw/zinc/62/20/91/1067622091.db2.gz RUPBSECQKYAYKK-XOBRGWDASA-N 0 0 455.917 4.925 20 0 JJADRN Cc1cc2cc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)ccc2n(C)c1=O ZINC001460381255 1067622750 /nfs/dbraw/zinc/62/27/50/1067622750.db2.gz NHSOSBUEQHUYEO-UHFFFAOYSA-N 0 0 455.301 4.988 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1sc(C)nc1-c1ccccc1 ZINC001460382093 1067622894 /nfs/dbraw/zinc/62/28/94/1067622894.db2.gz HSOOSSUESOYEGH-UHFFFAOYSA-N 0 0 450.301 4.984 20 0 JJADRN O=C(Nc1ccc(C(=O)N2CCOC[C@@H](C3CCC3)C2)cc1)c1cccc(Br)c1 ZINC001460382808 1067622920 /nfs/dbraw/zinc/62/29/20/1067622920.db2.gz SDDCRTOURJIQEX-IBGZPJMESA-N 0 0 457.368 4.590 20 0 JJADRN COc1cc(I)ccc1NC(=O)c1ccccc1-n1ccc(C2CC2)n1 ZINC001460385637 1067623380 /nfs/dbraw/zinc/62/33/80/1067623380.db2.gz UGVZSHOSQPWNBL-UHFFFAOYSA-N 0 0 459.287 4.615 20 0 JJADRN COC(=O)[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)c1ccccc1F ZINC001460390472 1067624452 /nfs/dbraw/zinc/62/44/52/1067624452.db2.gz NCGAUDOQEQCENQ-QIJUGHKUSA-N 0 0 460.521 4.562 20 0 JJADRN CC(C)(CCNC(=O)Cc1ccc(I)c(Br)c1)C1CC1 ZINC001460390065 1067624553 /nfs/dbraw/zinc/62/45/53/1067624553.db2.gz RXDKLZBQOIXTKC-UHFFFAOYSA-N 0 0 450.158 4.539 20 0 JJADRN O=C(c1ncsc1Br)N(Cc1ccncc1)c1ccc(Br)cc1 ZINC001460392070 1067625266 /nfs/dbraw/zinc/62/52/66/1067625266.db2.gz NQONHXLIOZVVFE-UHFFFAOYSA-N 0 0 453.159 4.910 20 0 JJADRN O=C([N-][C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460395349 1067626057 /nfs/dbraw/zinc/62/60/57/1067626057.db2.gz WWKCVACQPWWKQW-LPHOPBHVSA-N 0 0 462.846 4.534 20 0 JJADRN Cc1ccn2ncnc2c1NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001460396748 1067626080 /nfs/dbraw/zinc/62/60/80/1067626080.db2.gz HJACSAUOQFDHAZ-UHFFFAOYSA-N 0 0 450.090 4.561 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CCS1 ZINC001546115997 1067626558 /nfs/dbraw/zinc/62/65/58/1067626558.db2.gz CVWBWMITEGECKZ-LJQANCHMSA-N 0 0 496.681 4.743 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001460402617 1067627275 /nfs/dbraw/zinc/62/72/75/1067627275.db2.gz UPFOLCPGFBXGAK-RDGATRHJSA-N 0 0 454.636 4.954 20 0 JJADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001460402612 1067627297 /nfs/dbraw/zinc/62/72/97/1067627297.db2.gz UPFOLCPGFBXGAK-RCZVLFRGSA-N 0 0 454.636 4.954 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404821 1067628136 /nfs/dbraw/zinc/62/81/36/1067628136.db2.gz DAZVZJRWSDMOKH-WIYYLYMNSA-N 0 0 459.631 4.764 20 0 JJADRN Cc1c(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cnn1-c1ccccc1F ZINC001460409223 1067629108 /nfs/dbraw/zinc/62/91/08/1067629108.db2.gz YWBIUKONAMPTIF-MRXNPFEDSA-N 0 0 458.209 4.938 20 0 JJADRN Cc1c(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cnn1-c1ccccc1F ZINC001460409219 1067629220 /nfs/dbraw/zinc/62/92/20/1067629220.db2.gz YWBIUKONAMPTIF-INIZCTEOSA-N 0 0 458.209 4.938 20 0 JJADRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC001460411247 1067629808 /nfs/dbraw/zinc/62/98/08/1067629808.db2.gz QRAKKLSQHKXAGQ-GHTZIAJQSA-N 0 0 459.631 4.764 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CCS1 ZINC001546116118 1067630189 /nfs/dbraw/zinc/63/01/89/1067630189.db2.gz ICBBJEROFHFGJB-UHFFFAOYSA-N 0 0 481.670 4.963 20 0 JJADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCc3cc4ccccc4s3)cc2)C1 ZINC001460416717 1067631334 /nfs/dbraw/zinc/63/13/34/1067631334.db2.gz QAWIQXVXUGPSKF-QZTJIDSGSA-N 0 0 456.633 4.540 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCS1 ZINC001546116140 1067631365 /nfs/dbraw/zinc/63/13/65/1067631365.db2.gz IUAHPTWBMMWVDK-QUCCMNQESA-N 0 0 458.676 4.688 20 0 JJADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417098 1067631375 /nfs/dbraw/zinc/63/13/75/1067631375.db2.gz MHRMCXGJLFXWBN-XFJVYGCCSA-N 0 0 464.629 4.803 20 0 JJADRN C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460415966 1067631384 /nfs/dbraw/zinc/63/13/84/1067631384.db2.gz LAZJNZLDFAASFB-QEORTHHSSA-N 0 0 455.194 4.549 20 0 JJADRN COc1cc(OC)c2c(c1)N([C@H]1CCCN(c3ccc(Br)c(C)c3)C1=O)CCC2 ZINC001460418923 1067631735 /nfs/dbraw/zinc/63/17/35/1067631735.db2.gz OKHPVNQECNYQBT-FQEVSTJZSA-N 0 0 459.384 4.723 20 0 JJADRN O=C(O[C@@H](c1ccccc1)C(F)F)c1cnn(-c2ccccc2)c1I ZINC001460418436 1067631808 /nfs/dbraw/zinc/63/18/08/1067631808.db2.gz YQGLHRQSBAHNNY-HNNXBMFYSA-N 0 0 454.214 4.640 20 0 JJADRN C[C@]12CCN(Cc3cc4c(c(Br)c3)OCO4)C[C@H]1C2(Br)Br ZINC001460419679 1067631888 /nfs/dbraw/zinc/63/18/88/1067631888.db2.gz VABUTDQHCHHAIT-OCCSQVGLSA-N 0 0 482.010 4.506 20 0 JJADRN C[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1ccc(F)cc1Cl ZINC001460423629 1067632130 /nfs/dbraw/zinc/63/21/30/1067632130.db2.gz PNIQLXIGSJOXSS-SECBINFHSA-N 0 0 458.118 4.967 20 0 JJADRN Cc1ccc(C(C)(C)CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC001460423580 1067632218 /nfs/dbraw/zinc/63/22/18/1067632218.db2.gz DNMVQXCZBVYXNX-UHFFFAOYSA-N 0 0 456.652 4.505 20 0 JJADRN COC(=O)c1ccc(F)c2c1CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)CC2 ZINC001460426441 1067632778 /nfs/dbraw/zinc/63/27/78/1067632778.db2.gz BUYMAMZWIDJHKR-XMMPIXPASA-N 0 0 452.570 4.632 20 0 JJADRN COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c2ccc(F)cc2Cl)c1 ZINC001460426752 1067632816 /nfs/dbraw/zinc/63/28/16/1067632816.db2.gz YMMKEGZBKLHIPP-VLIAUNLRSA-N 0 0 450.938 4.801 20 0 JJADRN CN(C(=O)CN1CCOC[C@@H]1c1cc(F)cc(F)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460430074 1067633136 /nfs/dbraw/zinc/63/31/36/1067633136.db2.gz YTDJJFAIDIPCBO-RSXGOPAZSA-N 0 0 454.492 4.725 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001460430158 1067633568 /nfs/dbraw/zinc/63/35/68/1067633568.db2.gz DFBPWHOHHXBUBK-VGSWGCGISA-N 0 0 456.505 4.827 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001460433923 1067633889 /nfs/dbraw/zinc/63/38/89/1067633889.db2.gz RVIAOTUGTQWHQD-UZUQRXQVSA-N 0 0 456.489 4.859 20 0 JJADRN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001460433897 1067633940 /nfs/dbraw/zinc/63/39/40/1067633940.db2.gz RVIAOTUGTQWHQD-HXOBKFHXSA-N 0 0 456.489 4.859 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cscc2Br)c1 ZINC001460435555 1067634374 /nfs/dbraw/zinc/63/43/74/1067634374.db2.gz HHGZVTFWNOBBBF-OAHLLOKOSA-N 0 0 455.374 4.594 20 0 JJADRN CS(C)(=O)=Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC001460443883 1067635732 /nfs/dbraw/zinc/63/57/32/1067635732.db2.gz KEEOYONNDOPDAB-SQSNZIKMSA-N 0 0 459.999 4.732 20 0 JJADRN COc1ccc2c(c1)CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447493 1067636662 /nfs/dbraw/zinc/63/66/62/1067636662.db2.gz 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Cc1cc(Cl)ccc1OCC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001460465651 1067639107 /nfs/dbraw/zinc/63/91/07/1067639107.db2.gz XYJAXGSVHKHUTE-YKSBVNFPSA-N 0 0 455.913 4.734 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001460472897 1067639966 /nfs/dbraw/zinc/63/99/66/1067639966.db2.gz QTQVCHPLILOVNB-QZTJIDSGSA-N 0 0 455.983 4.813 20 0 JJADRN CCC1(CC)CN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OCC(F)(F)F)c2)CCS1 ZINC001546116520 1067640355 /nfs/dbraw/zinc/64/03/55/1067640355.db2.gz YCBABARDIUTUCJ-UHFFFAOYSA-N 0 0 480.560 4.770 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472976 1067640493 /nfs/dbraw/zinc/64/04/93/1067640493.db2.gz RBTYJWZSIKGANP-RTWAWAEBSA-N 0 0 451.394 4.769 20 0 JJADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ncc(Br)c(C)c1I ZINC001460475733 1067640874 /nfs/dbraw/zinc/64/08/74/1067640874.db2.gz CUUVYQXDRPEGOF-WDEREUQCSA-N 0 0 451.146 4.912 20 0 JJADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ncc(Br)c(C)c1I ZINC001460475727 1067640953 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CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001460626087 1067676829 /nfs/dbraw/zinc/67/68/29/1067676829.db2.gz NONOKHUYSDKBHO-QWRGUYRKSA-N 0 0 450.479 4.528 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H](C)c1ccc(SCC(=O)N(C)C)cc1 ZINC001460631113 1067678415 /nfs/dbraw/zinc/67/84/15/1067678415.db2.gz ASOGAJRPHDDDNO-GJZGRUSLSA-N 0 0 455.498 4.957 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](CCN(CCN2CCOCC2)c2ccccc2Cl)C1 ZINC001460632428 1067678876 /nfs/dbraw/zinc/67/88/76/1067678876.db2.gz WBKGWAWWECVKJD-HXUWFJFHSA-N 0 0 452.039 4.516 20 0 JJADRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cnn(-c2ccccc2Cl)c1 ZINC001460631396 1067678908 /nfs/dbraw/zinc/67/89/08/1067678908.db2.gz PXLLZTOFNJJKRP-UHFFFAOYSA-N 0 0 456.731 4.785 20 0 JJADRN C[C@]1(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCCc2sccc21 ZINC001460635662 1067680176 /nfs/dbraw/zinc/68/01/76/1067680176.db2.gz WNSGQXHOFCORFJ-QGZVFWFLSA-N 0 0 453.404 4.769 20 0 JJADRN C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1ccc(SCC(=O)N(C)C)cc1 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COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C[C@@H](O)c2cc3ccccc3o2)c1 ZINC001460701544 1067704131 /nfs/dbraw/zinc/70/41/31/1067704131.db2.gz JEJJVBORWUFZDO-FGZHOGPDSA-N 0 0 452.551 4.769 20 0 JJADRN O=C(CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)N1c2ccccc2CCc2ccccc21 ZINC001460699406 1067704211 /nfs/dbraw/zinc/70/42/11/1067704211.db2.gz YZEFGMARPLMJLL-BWKNWUBXSA-N 0 0 454.492 4.574 20 0 JJADRN CCC1(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001460708473 1067705851 /nfs/dbraw/zinc/70/58/51/1067705851.db2.gz KSYQAHUVKDCZBZ-UHFFFAOYSA-N 0 0 459.631 4.917 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC001460708877 1067705872 /nfs/dbraw/zinc/70/58/72/1067705872.db2.gz LTBMWKFSGRIFGM-UHFFFAOYSA-N 0 0 455.555 4.698 20 0 JJADRN CC1=CC[C@](C)(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460710688 1067706313 /nfs/dbraw/zinc/70/63/13/1067706313.db2.gz VWMSTBUBJLJHHZ-SANMLTNESA-N 0 0 457.615 4.693 20 0 JJADRN CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 ZINC001460712553 1067706691 /nfs/dbraw/zinc/70/66/91/1067706691.db2.gz JDLYHIRJZZIVSD-MRXNPFEDSA-N 0 0 456.384 4.951 20 0 JJADRN CCOc1ccc(C[C@H](C)CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 ZINC001460712550 1067706940 /nfs/dbraw/zinc/70/69/40/1067706940.db2.gz JDLYHIRJZZIVSD-INIZCTEOSA-N 0 0 456.384 4.951 20 0 JJADRN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(Cc1ccc(-c2ccccn2)nc1)C(C)C ZINC001460713949 1067707109 /nfs/dbraw/zinc/70/71/09/1067707109.db2.gz UZOLQTBIRXDMIG-QGZVFWFLSA-N 0 0 452.580 4.538 20 0 JJADRN CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001460718428 1067708208 /nfs/dbraw/zinc/70/82/08/1067708208.db2.gz LSOIKDNZQFMJNE-PKOBYXMFSA-N 0 0 464.798 4.683 20 0 JJADRN C[C@@H]1NC(=O)N(CCN(C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)C1=O ZINC001460717341 1067708270 /nfs/dbraw/zinc/70/82/70/1067708270.db2.gz IWBYSNHKWOBCPY-LBPRGKRZSA-N 0 0 456.757 4.811 20 0 JJADRN CC(C)CN(Cc1cnn(C)c1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001460717946 1067708443 /nfs/dbraw/zinc/70/84/43/1067708443.db2.gz ZKNRHDWVOKVTCI-UHFFFAOYSA-N 0 0 450.370 4.784 20 0 JJADRN C[C@H](CC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)n1cc(Br)cn1 ZINC001460721219 1067708756 /nfs/dbraw/zinc/70/87/56/1067708756.db2.gz CINHJNMXHDQYRY-SJKOYZFVSA-N 0 0 450.768 4.880 20 0 JJADRN Cc1ccc(Cl)c2c1N(C(=O)c1ccc(F)c(S(=O)(=O)N3CCCCC3)c1)CCC2 ZINC001460722098 1067709316 /nfs/dbraw/zinc/70/93/16/1067709316.db2.gz AHBRLIILYOZOBZ-UHFFFAOYSA-N 0 0 450.963 4.555 20 0 JJADRN CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(F)(F)F ZINC001460723646 1067709739 /nfs/dbraw/zinc/70/97/39/1067709739.db2.gz OLCPIQZOWZBMRT-UHFFFAOYSA-N 0 0 451.489 4.681 20 0 JJADRN Cc1c(Br)ccc2c1N(C(=O)CCCCN1C(=O)c3ccccc3C1=O)CCC2 ZINC001460725112 1067710346 /nfs/dbraw/zinc/71/03/46/1067710346.db2.gz QNZBAEONPIYNCV-UHFFFAOYSA-N 0 0 455.352 4.503 20 0 JJADRN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729396 1067711165 /nfs/dbraw/zinc/71/11/65/1067711165.db2.gz WWPDHNNUAODBKS-VBKZILBWSA-N 0 0 459.812 4.703 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1Cl ZINC001460730556 1067711310 /nfs/dbraw/zinc/71/13/10/1067711310.db2.gz RBAJIMDQHYBCSZ-QGZVFWFLSA-N 0 0 452.363 4.641 20 0 JJADRN Cc1ccccc1NC(=O)Cc1nc(CN2CCC(Oc3ccc(Cl)cn3)CC2)cs1 ZINC001460738057 1067712573 /nfs/dbraw/zinc/71/25/73/1067712573.db2.gz SQEHBHGLVRAOSU-UHFFFAOYSA-N 0 0 456.999 4.725 20 0 JJADRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)c3csc(-c4ncc[nH]4)n3)CC2)c1 ZINC001460741391 1067713414 /nfs/dbraw/zinc/71/34/14/1067713414.db2.gz SQQZXVRSXYAAAC-UHFFFAOYSA-N 0 0 453.568 4.900 20 0 JJADRN COc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c(OC(F)F)c1 ZINC001460742021 1067713473 /nfs/dbraw/zinc/71/34/73/1067713473.db2.gz ZFBIFXNNKZLLIB-UHFFFAOYSA-N 0 0 454.514 4.550 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnc([C@H]3CCCO3)s2)CC[C@H]1c1ccc(F)cc1 ZINC001460744075 1067713842 /nfs/dbraw/zinc/71/38/42/1067713842.db2.gz GBTVLKQYLCUYLC-IPMKNSEASA-N 0 0 475.586 4.657 20 0 JJADRN CSCc1cccnc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460744194 1067714088 /nfs/dbraw/zinc/71/40/88/1067714088.db2.gz HUGINTCNTURHCP-VQTJNVASSA-N 0 0 459.587 4.607 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2Cn2cccn2)CC[C@H]1c1ccc(F)cc1 ZINC001460745617 1067714590 /nfs/dbraw/zinc/71/45/90/1067714590.db2.gz RVGLGDWDABAOIA-LADGPHEKSA-N 0 0 478.568 4.594 20 0 JJADRN CC(C)OCc1noc(CN2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746969 1067715147 /nfs/dbraw/zinc/71/51/47/1067715147.db2.gz KTFDJXYLZSWACR-UYAOXDASSA-N 0 0 450.624 4.680 20 0 JJADRN CN(Cc1nnn(C)n1)Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 ZINC001460751612 1067716113 /nfs/dbraw/zinc/71/61/13/1067716113.db2.gz SVOXAKKOWAWWNP-UHFFFAOYSA-N 0 0 457.159 4.704 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@@H]1C(F)(F)F ZINC001460751980 1067716465 /nfs/dbraw/zinc/71/64/65/1067716465.db2.gz RLDHSBFMPRSZAP-WMZOPIPTSA-N 0 0 455.546 4.869 20 0 JJADRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460755267 1067717246 /nfs/dbraw/zinc/71/72/46/1067717246.db2.gz AOLVKCTZZLEETI-CSODHUTKSA-N 0 0 452.542 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC001460758118 1067717586 /nfs/dbraw/zinc/71/75/86/1067717586.db2.gz FKSCOEXUVCBWPP-IRLDBZIGSA-N 0 0 455.599 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC001460758351 1067718127 /nfs/dbraw/zinc/71/81/27/1067718127.db2.gz FUCFRKHHQLTVIP-XLIONFOSSA-N 0 0 459.612 4.974 20 0 JJADRN Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1 ZINC001460758189 1067718152 /nfs/dbraw/zinc/71/81/52/1067718152.db2.gz FNZDNOWPOLBACH-GGAORHGYSA-N 0 0 452.599 4.823 20 0 JJADRN O=C1[C@H](N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460760147 1067718596 /nfs/dbraw/zinc/71/85/96/1067718596.db2.gz VWOOXLJAHPIPMM-GOSISDBHSA-N 0 0 457.855 4.542 20 0 JJADRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001460763253 1067718834 /nfs/dbraw/zinc/71/88/34/1067718834.db2.gz QFJIDTYOXJZBLD-NRFANRHFSA-N 0 0 459.974 4.692 20 0 JJADRN CCOc1ncc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001460767877 1067720304 /nfs/dbraw/zinc/72/03/04/1067720304.db2.gz SFMIJPRIHZBYGA-APWZRJJASA-N 0 0 451.995 4.776 20 0 JJADRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460772064 1067720644 /nfs/dbraw/zinc/72/06/44/1067720644.db2.gz HWEOEMVTXJTWQM-BZNIZROVSA-N 0 0 459.171 4.640 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001460777860 1067721647 /nfs/dbraw/zinc/72/16/47/1067721647.db2.gz CYIYHMAJFWGEFB-WOJBJXKFSA-N 0 0 474.354 4.604 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC001460783721 1067722909 /nfs/dbraw/zinc/72/29/09/1067722909.db2.gz DHTSAQOHXOICAE-WOJBJXKFSA-N 0 0 479.499 4.805 20 0 JJADRN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCS[C@H](C(F)(F)F)C2)C1=O ZINC001460783645 1067723023 /nfs/dbraw/zinc/72/30/23/1067723023.db2.gz GCZLJBHJZDGTNZ-GJZGRUSLSA-N 0 0 451.352 4.541 20 0 JJADRN CC[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccncc1 ZINC001460787816 1067723605 /nfs/dbraw/zinc/72/36/05/1067723605.db2.gz JZYKXNIDLIBQEC-NRFANRHFSA-N 0 0 456.951 4.795 20 0 JJADRN O=C(OCc1cccc(Br)c1Cl)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001460792562 1067724566 /nfs/dbraw/zinc/72/45/66/1067724566.db2.gz PKNCEDFQUQKBSK-UHFFFAOYSA-N 0 0 453.688 4.597 20 0 JJADRN C[C@H](NC(=O)CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC001460799589 1067726157 /nfs/dbraw/zinc/72/61/57/1067726157.db2.gz FVAHYVNYVTUHJZ-RBZFPXEDSA-N 0 0 455.357 4.982 20 0 JJADRN CCN(c1ccnc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n1)C1CCCC1 ZINC001460798975 1067726175 /nfs/dbraw/zinc/72/61/75/1067726175.db2.gz BXBUZDARIYTAGQ-UHFFFAOYSA-N 0 0 451.596 4.771 20 0 JJADRN C[C@@H](NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC001460799592 1067726703 /nfs/dbraw/zinc/72/67/03/1067726703.db2.gz FVAHYVNYVTUHJZ-ZUOKHONESA-N 0 0 455.357 4.982 20 0 JJADRN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802262 1067727121 /nfs/dbraw/zinc/72/71/21/1067727121.db2.gz PIDYYSPBXOQPQN-ZDUSSCGKSA-N 0 0 451.311 4.872 20 0 JJADRN C[C@H](C(=O)Nc1cc(F)ccc1F)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001460802258 1067727140 /nfs/dbraw/zinc/72/71/40/1067727140.db2.gz PIDYYSPBXOQPQN-CYBMUJFWSA-N 0 0 451.311 4.872 20 0 JJADRN CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001460804659 1067727433 /nfs/dbraw/zinc/72/74/33/1067727433.db2.gz TVFQGYCORPPTQP-QHCPKHFHSA-N 0 0 459.384 4.662 20 0 JJADRN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 ZINC001460812008 1067728206 /nfs/dbraw/zinc/72/82/06/1067728206.db2.gz LVHWSSWEYKYNFR-MSOLQXFVSA-N 0 0 451.546 4.671 20 0 JJADRN CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br)C1CCCC1 ZINC001460820913 1067729397 /nfs/dbraw/zinc/72/93/97/1067729397.db2.gz WGVKHNZIXKGQNK-IBGZPJMESA-N 0 0 459.450 4.568 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCc3cc(F)cc(Cl)c32)cc1 ZINC001460824381 1067729939 /nfs/dbraw/zinc/72/99/39/1067729939.db2.gz BXCNRRUDWZITIT-HNNXBMFYSA-N 0 0 450.963 4.635 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@H]1CN(CCOCc2ccccc2)c2ccccc21 ZINC001460829223 1067730806 /nfs/dbraw/zinc/73/08/06/1067730806.db2.gz KMCPJHMAZYRMTA-DHIUTWEWSA-N 0 0 452.595 4.833 20 0 JJADRN Cc1noc2nc(C(C)C)cc(C(=O)Nc3sc4c(c3C(=O)OC(C)(C)C)CCOC4)c12 ZINC001460828582 1067730829 /nfs/dbraw/zinc/73/08/29/1067730829.db2.gz IAQQGKXTBLMQLY-UHFFFAOYSA-N 0 0 457.552 4.996 20 0 JJADRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H]1c1cncc(Br)c1 ZINC001460829246 1067730858 /nfs/dbraw/zinc/73/08/58/1067730858.db2.gz LWUKBPALOKRKOX-SFHVURJKSA-N 0 0 457.199 4.946 20 0 JJADRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc(F)c1S(C)(=O)=O ZINC001460830115 1067731070 /nfs/dbraw/zinc/73/10/70/1067731070.db2.gz ODUXETMCAGXDEB-UHFFFAOYSA-N 0 0 458.540 4.536 20 0 JJADRN CCC1(CC)CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(F)cc2)CCS1 ZINC001546119391 1067731114 /nfs/dbraw/zinc/73/11/14/1067731114.db2.gz ANQLOMBCRAFGHQ-UHFFFAOYSA-N 0 0 473.662 4.629 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCc3cc(F)cc(Cl)c32)cc1 ZINC001460834785 1067731775 /nfs/dbraw/zinc/73/17/75/1067731775.db2.gz RVCVWBAPCCRMDO-UHFFFAOYSA-N 0 0 458.942 4.897 20 0 JJADRN COc1cc(F)cc(C[C@@H](C)NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC001460837391 1067731823 /nfs/dbraw/zinc/73/18/23/1067731823.db2.gz XHXOUFDTNRHPPX-CQSZACIVSA-N 0 0 454.502 4.644 20 0 JJADRN Cc1c(Br)cccc1CN1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839518 1067732449 /nfs/dbraw/zinc/73/24/49/1067732449.db2.gz YDRPNMPQLGBTLK-INIZCTEOSA-N 0 0 453.421 4.748 20 0 JJADRN CCCOc1c(Br)cc(C(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)cc1OC ZINC001460841820 1067732808 /nfs/dbraw/zinc/73/28/08/1067732808.db2.gz XCGCGVKKNQIILQ-ZDUSSCGKSA-N 0 0 450.329 4.775 20 0 JJADRN COc1ccc(C(=O)Nc2nc3cc(Cl)c(Cl)cc3n2C)c(OCCOC(C)C)c1 ZINC001460842042 1067732848 /nfs/dbraw/zinc/73/28/48/1067732848.db2.gz RYDYUHHNRRUJQP-UHFFFAOYSA-N 0 0 452.338 4.945 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCS1 ZINC001546119455 1067733133 /nfs/dbraw/zinc/73/31/33/1067733133.db2.gz CWYKAQLBOALGGS-JTHBVZDNSA-N 0 0 457.688 4.827 20 0 JJADRN CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460844469 1067733510 /nfs/dbraw/zinc/73/35/10/1067733510.db2.gz IYMHQSNPQBWYCG-LPHOPBHVSA-N 0 0 456.414 4.598 20 0 JJADRN Cc1cc(C(=O)N2CCCc3c(Cl)c(C)c(Cl)cc32)cc(S(=O)(=O)N(C)C)c1C ZINC001460850385 1067734837 /nfs/dbraw/zinc/73/48/37/1067734837.db2.gz TZCVZUCIHHCVLF-UHFFFAOYSA-N 0 0 455.407 4.762 20 0 JJADRN CC[C@@](CNC(=O)c1cc(C(F)(F)F)ccc1Br)(C(=O)OC)c1ccccc1 ZINC001460853769 1067735154 /nfs/dbraw/zinc/73/51/54/1067735154.db2.gz XFZMUBLWCIBGMX-IBGZPJMESA-N 0 0 458.274 4.719 20 0 JJADRN COc1cccc([C@H]2C[C@H](N(C)C(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)C2)c1 ZINC001460855561 1067735543 /nfs/dbraw/zinc/73/55/43/1067735543.db2.gz MXOOYNJTVNDHHH-HZCBDIJESA-N 0 0 455.620 4.803 20 0 JJADRN O=C(CN1CCC(CC2CCCCC2)CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460855788 1067735607 /nfs/dbraw/zinc/73/56/07/1067735607.db2.gz HXICJSZNAJSSCM-OAQYLSRUSA-N 0 0 451.533 4.975 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CCc2c(F)cccc2F)CCS1 ZINC001546119664 1067736423 /nfs/dbraw/zinc/73/64/23/1067736423.db2.gz LLNIKQRVBMGTDL-UHFFFAOYSA-N 0 0 457.594 4.897 20 0 JJADRN Cc1ccc(Cl)c2c1CCCN2C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001460862936 1067736868 /nfs/dbraw/zinc/73/68/68/1067736868.db2.gz MMJKGCSQHKJRES-UHFFFAOYSA-N 0 0 453.739 4.649 20 0 JJADRN COC1(C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460867060 1067737882 /nfs/dbraw/zinc/73/78/82/1067737882.db2.gz WQCYWQPFSGIETN-ICSRJNTNSA-N 0 0 451.007 4.899 20 0 JJADRN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001460867925 1067738028 /nfs/dbraw/zinc/73/80/28/1067738028.db2.gz KIEPPGXMBYCXJD-RTBURBONSA-N 0 0 455.769 4.755 20 0 JJADRN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cccc(Br)c1Cl ZINC001460868187 1067738307 /nfs/dbraw/zinc/73/83/07/1067738307.db2.gz UWHYNHARQSARJG-GOEBONIOSA-N 0 0 461.709 4.863 20 0 JJADRN Cc1ccc(Oc2ccccc2CCNC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC001460875318 1067740412 /nfs/dbraw/zinc/74/04/12/1067740412.db2.gz CIKKBWKIAOOUCV-LJQANCHMSA-N 0 0 450.485 4.777 20 0 JJADRN CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2CCc2cccc(C)n2)CCS1 ZINC001546119804 1067741237 /nfs/dbraw/zinc/74/12/37/1067741237.db2.gz QRKMLSYBXXGMOB-UHFFFAOYSA-N 0 0 465.667 4.958 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CCCn3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001460882392 1067741653 /nfs/dbraw/zinc/74/16/53/1067741653.db2.gz NRCHCAMPLRGAHG-FQEVSTJZSA-N 0 0 456.631 4.881 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3noc(-c4cccc(Cl)c4Cl)n3)C[C@@H]2C1 ZINC001460884977 1067742206 /nfs/dbraw/zinc/74/22/06/1067742206.db2.gz GZPRLPTZRZIOOE-ZIAGYGMSSA-N 0 0 453.370 4.732 20 0 JJADRN CCC1(CC)CN(c2nnc(Cc3ccsc3)n2C[C@H]2CSCCS2)CCS1 ZINC001546119849 1067742278 /nfs/dbraw/zinc/74/22/78/1067742278.db2.gz SOGAYLXIOWFDNE-KRWDZBQOSA-N 0 0 454.756 4.891 20 0 JJADRN CN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC001460884825 1067742396 /nfs/dbraw/zinc/74/23/96/1067742396.db2.gz GTXIPUFROXRELA-UHFFFAOYSA-N 0 0 454.920 4.947 20 0 JJADRN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001460885698 1067742680 /nfs/dbraw/zinc/74/26/80/1067742680.db2.gz IWXBMFJKRFQVAL-JTQLQIEISA-N 0 0 459.484 4.609 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001460886057 1067742765 /nfs/dbraw/zinc/74/27/65/1067742765.db2.gz CEIKWBGRVFRBLG-SFHVURJKSA-N 0 0 451.567 4.794 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)c(F)c2F)c1)c1ccccc1 ZINC001460886493 1067743081 /nfs/dbraw/zinc/74/30/81/1067743081.db2.gz YQVOSDNQGKKMJK-CYBMUJFWSA-N 0 0 451.878 4.877 20 0 JJADRN CCC1(CC)CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CCS1 ZINC001546119882 1067743101 /nfs/dbraw/zinc/74/31/01/1067743101.db2.gz TVWMQAZDHUIWTG-RXFWQSSRSA-N 0 0 472.699 4.735 20 0 JJADRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C3CCC3)C2)c1 ZINC001460890869 1067744222 /nfs/dbraw/zinc/74/42/22/1067744222.db2.gz KJRCGMIAXQMUGL-MRXNPFEDSA-N 0 0 450.963 4.566 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCSc2ccccc2Br)C1(C)C ZINC001460895010 1067745148 /nfs/dbraw/zinc/74/51/48/1067745148.db2.gz INQIDBHNLSEEPS-INIZCTEOSA-N 0 0 457.434 4.836 20 0 JJADRN CCOCN(C(=O)CN1CC[C@H](CC(=O)OCC)c2ccccc21)c1c(C)cccc1CC ZINC001460897199 1067745407 /nfs/dbraw/zinc/74/54/07/1067745407.db2.gz HTRJVGAROFRGCD-JOCHJYFZSA-N 0 0 452.595 4.832 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001460901890 1067745925 /nfs/dbraw/zinc/74/59/25/1067745925.db2.gz ITOSYQMYWJRCHT-IEBWSBKVSA-N 0 0 456.999 4.782 20 0 JJADRN CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001460915706 1067747448 /nfs/dbraw/zinc/74/74/48/1067747448.db2.gz LGNHHHCVBVZMSL-RTBURBONSA-N 0 0 450.583 4.833 20 0 JJADRN CCC[C@H]1CCCC[C@H]1CNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 ZINC001460915664 1067747477 /nfs/dbraw/zinc/74/74/77/1067747477.db2.gz LGNHHHCVBVZMSL-OALUTQOASA-N 0 0 450.583 4.833 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001460917480 1067747750 /nfs/dbraw/zinc/74/77/50/1067747750.db2.gz PGZVIRZAPFHTQY-UHFFFAOYSA-N 0 0 453.955 4.884 20 0 JJADRN NC(=O)[C@@H]1CN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)C[C@H]1c1ccccc1 ZINC001460916303 1067747760 /nfs/dbraw/zinc/74/77/60/1067747760.db2.gz MXIMWWKJYCMMAI-MZKRTTBSSA-N 0 0 450.991 4.901 20 0 JJADRN CC(C)c1ccc(C2(C(=O)Nc3cc(N4CCOCC4)c(Br)cn3)CCC2)cc1 ZINC001460920477 1067748084 /nfs/dbraw/zinc/74/80/84/1067748084.db2.gz QFDZUYPZBNSWJY-UHFFFAOYSA-N 0 0 458.400 4.865 20 0 JJADRN COc1ccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1S(C)(=O)=O ZINC001460923683 1067749148 /nfs/dbraw/zinc/74/91/48/1067749148.db2.gz IXGKPGLOGPEMAY-UHFFFAOYSA-N 0 0 455.410 4.510 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2CCOCC(F)(F)C(F)(F)F ZINC001460924295 1067749153 /nfs/dbraw/zinc/74/91/53/1067749153.db2.gz HMXCRDGQEHNYSS-UHFFFAOYSA-N 0 0 452.464 4.721 20 0 JJADRN COc1cc2c(c(OC)c1)N(C(=O)c1cnn(-c3ccc(Br)cc3)c1C)CCC2 ZINC001460926117 1067749507 /nfs/dbraw/zinc/74/95/07/1067749507.db2.gz XUKVUPBGCGSASY-UHFFFAOYSA-N 0 0 456.340 4.553 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC001460927688 1067749558 /nfs/dbraw/zinc/74/95/58/1067749558.db2.gz CXPZYUQIANPBIC-ZCNNSNEGSA-N 0 0 451.567 4.795 20 0 JJADRN CS(=O)(=O)c1ccccc1CNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC001460926680 1067749600 /nfs/dbraw/zinc/74/96/00/1067749600.db2.gz JOHXHZHAEXDJDQ-UHFFFAOYSA-N 0 0 450.535 4.627 20 0 JJADRN CCOC(=O)C1(CC(F)F)CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001460941762 1067751533 /nfs/dbraw/zinc/75/15/33/1067751533.db2.gz XTHPLKFOKVEGSR-UHFFFAOYSA-N 0 0 457.732 4.886 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(Br)c2OC(F)F)n1C ZINC001460943908 1067751604 /nfs/dbraw/zinc/75/16/04/1067751604.db2.gz GXVUUOFEMAZVRO-MRXNPFEDSA-N 0 0 457.315 4.903 20 0 JJADRN COc1ccc([C@H](NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccco2)cc1 ZINC001460947673 1067752434 /nfs/dbraw/zinc/75/24/34/1067752434.db2.gz NCPCAZAEVZNECR-QFIPXVFZSA-N 0 0 459.468 4.824 20 0 JJADRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(N(C)C)c(C(F)(F)F)c3)CCCC2)cc1 ZINC001460951678 1067752654 /nfs/dbraw/zinc/75/26/54/1067752654.db2.gz WVKBPBJUDNQDCP-UHFFFAOYSA-N 0 0 454.514 4.805 20 0 JJADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 ZINC001460954890 1067753067 /nfs/dbraw/zinc/75/30/67/1067753067.db2.gz NYIONNABKXRVBS-IBGZPJMESA-N 0 0 458.624 4.727 20 0 JJADRN O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCCc2ccc(Cl)c(F)c21 ZINC001460957048 1067753569 /nfs/dbraw/zinc/75/35/69/1067753569.db2.gz HGOOAWRVKJWPMZ-HNNXBMFYSA-N 0 0 454.851 4.826 20 0 JJADRN Cc1ccc(Br)c(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC001460958464 1067753597 /nfs/dbraw/zinc/75/35/97/1067753597.db2.gz XIGJGOLSIQEECW-JOCHJYFZSA-N 0 0 451.364 4.935 20 0 JJADRN C[C@@H]1CN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)[C@H](C)CCO1 ZINC001460962134 1067753743 /nfs/dbraw/zinc/75/37/43/1067753743.db2.gz VQAABZZZRIIGDI-RTBURBONSA-N 0 0 453.583 4.982 20 0 JJADRN CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001460965552 1067753951 /nfs/dbraw/zinc/75/39/51/1067753951.db2.gz RFVNWGJQAGXZEP-FQEVSTJZSA-N 0 0 457.615 4.605 20 0 JJADRN CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[C@@]4(CCOC4=O)C3)n2)cc1 ZINC001460971241 1067754640 /nfs/dbraw/zinc/75/46/40/1067754640.db2.gz GOVUDZSROICJCS-AVRWGWEMSA-N 0 0 455.624 4.899 20 0 JJADRN COC(=O)[C@@H](c1ccccc1Cl)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975276 1067755095 /nfs/dbraw/zinc/75/50/95/1067755095.db2.gz FYPAKMYCBAVVIM-FXAWDEMLSA-N 0 0 451.007 4.961 20 0 JJADRN C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460980045 1067756379 /nfs/dbraw/zinc/75/63/79/1067756379.db2.gz YBNAQANZPHNRHC-OJLQRUNKSA-N 0 0 458.628 4.640 20 0 JJADRN COc1cc(Cl)ccc1OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC001460985734 1067757667 /nfs/dbraw/zinc/75/76/67/1067757667.db2.gz GEKPZPRWLMNWBK-OAHLLOKOSA-N 0 0 457.935 4.708 20 0 JJADRN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001460985714 1067757672 /nfs/dbraw/zinc/75/76/72/1067757672.db2.gz DJGOVDQHVAYCDU-SFHVURJKSA-N 0 0 458.308 4.581 20 0 JJADRN COC(=O)Cc1ccc(NC(=O)c2cc(Br)c(C)cc2Br)cc1F ZINC001460992226 1067758799 /nfs/dbraw/zinc/75/87/99/1067758799.db2.gz CJLOZUJYXLHAGY-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nn(CC(F)(F)F)cc1Br ZINC001460991497 1067758811 /nfs/dbraw/zinc/75/88/11/1067758811.db2.gz VVHFDEIMPFAPJX-ZDUSSCGKSA-N 0 0 454.674 4.903 20 0 JJADRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nn(CC(F)(F)F)cc1Br ZINC001460991494 1067758911 /nfs/dbraw/zinc/75/89/11/1067758911.db2.gz VVHFDEIMPFAPJX-CYBMUJFWSA-N 0 0 454.674 4.903 20 0 JJADRN Cc1nc2cc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)ccc2n1Cc1ccsc1 ZINC001460995725 1067759713 /nfs/dbraw/zinc/75/97/13/1067759713.db2.gz GFRBLEARHZIEKQ-UHFFFAOYSA-N 0 0 456.612 4.878 20 0 JJADRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(CC(C)C)c1ccc(OC)cc1)C2=O ZINC001460995883 1067759721 /nfs/dbraw/zinc/75/97/21/1067759721.db2.gz WRGDVHTWXDPNND-UHFFFAOYSA-N 0 0 457.615 4.601 20 0 JJADRN COc1cc(F)c(Br)cc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001460999630 1067760149 /nfs/dbraw/zinc/76/01/49/1067760149.db2.gz FGGLKPFNIQKGCC-UHFFFAOYSA-N 0 0 457.093 4.774 20 0 JJADRN CCn1c(Br)c(Br)nc1CNCCOc1ccc(C(C)(C)C)cc1 ZINC001461002205 1067760649 /nfs/dbraw/zinc/76/06/49/1067760649.db2.gz VBYJYCZTIGTPIQ-UHFFFAOYSA-N 0 0 459.226 4.894 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)c1C ZINC001461003623 1067760985 /nfs/dbraw/zinc/76/09/85/1067760985.db2.gz NBKSHTNIUDSRRY-UHFFFAOYSA-N 0 0 451.626 4.864 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)c1C ZINC001461002910 1067761045 /nfs/dbraw/zinc/76/10/45/1067761045.db2.gz GTHZWMUMAYGEQK-NRFANRHFSA-N 0 0 452.345 4.551 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1COCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001461006394 1067761326 /nfs/dbraw/zinc/76/13/26/1067761326.db2.gz VCDYNESGCJKVNT-RTBURBONSA-N 0 0 450.457 4.659 20 0 JJADRN COC(=O)c1cc(NC(=O)Cc2sc(CC(F)(F)F)nc2C)ccc1N1CCCCC1 ZINC001461007459 1067761635 /nfs/dbraw/zinc/76/16/35/1067761635.db2.gz URURTHMMKKNWOV-UHFFFAOYSA-N 0 0 455.502 4.514 20 0 JJADRN CCCN1C[C@H](CNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1=O ZINC001461010030 1067761672 /nfs/dbraw/zinc/76/16/72/1067761672.db2.gz LGIWLDFSIKWWQK-FQEVSTJZSA-N 0 0 451.998 4.650 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c1 ZINC001461011886 1067761874 /nfs/dbraw/zinc/76/18/74/1067761874.db2.gz SJAFAIWLRWGVHK-UHFFFAOYSA-N 0 0 453.358 4.612 20 0 JJADRN CCC1(CC)CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2ccccc2)CCS1 ZINC001546120874 1067763000 /nfs/dbraw/zinc/76/30/00/1067763000.db2.gz CEGPROBRXZUEEX-HJNYFJLDSA-N 0 0 458.672 4.918 20 0 JJADRN CC(=O)N(c1nc(CN[C@@H](c2nccn2C)c2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001461020937 1067763387 /nfs/dbraw/zinc/76/33/87/1067763387.db2.gz BZAHSDNRJXEWSA-OAQYLSRUSA-N 0 0 453.518 4.719 20 0 JJADRN CC(=O)N(c1nc(CN[C@H](c2nccn2C)c2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001461020933 1067763429 /nfs/dbraw/zinc/76/34/29/1067763429.db2.gz BZAHSDNRJXEWSA-NRFANRHFSA-N 0 0 453.518 4.719 20 0 JJADRN Cn1ccnc1[C@H](NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1F ZINC001461023229 1067763563 /nfs/dbraw/zinc/76/35/63/1067763563.db2.gz NPUNJHOXKJBHIN-OAQYLSRUSA-N 0 0 456.587 4.793 20 0 JJADRN CCC1(CC)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCOC2)CCS1 ZINC001546120895 1067763739 /nfs/dbraw/zinc/76/37/39/1067763739.db2.gz CZGIIGLWSNDJGP-UXHICEINSA-N 0 0 493.718 4.889 20 0 JJADRN O=C(COc1ccc2ccc(=O)oc2c1)NC1(c2cccc(Br)c2)CCCCC1 ZINC001461024637 1067764051 /nfs/dbraw/zinc/76/40/51/1067764051.db2.gz DUCOXAWVIXIYJT-UHFFFAOYSA-N 0 0 456.336 4.910 20 0 JJADRN C[C@H](CC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024714 1067764062 /nfs/dbraw/zinc/76/40/62/1067764062.db2.gz GQRYXRDIKRNJLS-UKRRQHHQSA-N 0 0 458.402 4.835 20 0 JJADRN CCCCCCn1nc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c2ccccc2c1=O ZINC001461025015 1067764085 /nfs/dbraw/zinc/76/40/85/1067764085.db2.gz LLKWZHSKTFVPLI-OALUTQOASA-N 0 0 455.599 4.559 20 0 JJADRN Cn1ccnc1[C@@H](NCc1cccc(F)c1I)c1ccc(Cl)cc1 ZINC001461025604 1067764362 /nfs/dbraw/zinc/76/43/62/1067764362.db2.gz JGPXNLIHBLLWHA-KRWDZBQOSA-N 0 0 455.702 4.696 20 0 JJADRN COc1ccccc1[C@H](NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nccn1C ZINC001461025322 1067764391 /nfs/dbraw/zinc/76/43/91/1067764391.db2.gz YWDZZBWNXGMPBS-QFIPXVFZSA-N 0 0 455.484 4.572 20 0 JJADRN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC001461025899 1067764398 /nfs/dbraw/zinc/76/43/98/1067764398.db2.gz MLBALQKNVXZYOR-IRXDYDNUSA-N 0 0 452.580 4.578 20 0 JJADRN CCc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@@H]3CNC(=O)C(F)(F)F)cs2)cc1 ZINC001461026590 1067764801 /nfs/dbraw/zinc/76/48/01/1067764801.db2.gz NDGYDDZVNZIEDC-QGZVFWFLSA-N 0 0 459.493 4.623 20 0 JJADRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)c12 ZINC001461031164 1067765463 /nfs/dbraw/zinc/76/54/63/1067765463.db2.gz WQUZYWHSKHFUFL-ZBFHGGJFSA-N 0 0 454.596 4.588 20 0 JJADRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC001461030140 1067765577 /nfs/dbraw/zinc/76/55/77/1067765577.db2.gz MGOUZNYXJVEBNJ-KRWDZBQOSA-N 0 0 458.462 4.966 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)/C(=C\c3ccc(OC)cc3)c3cccs3)nc2C1 ZINC001461031756 1067765835 /nfs/dbraw/zinc/76/58/35/1067765835.db2.gz LTCJGAQEVQQAAF-ZKMNFCBKSA-N 0 0 454.573 4.670 20 0 JJADRN COC(=O)[C@H]1CCc2sc(NC(=O)c3cc4cc(Br)ccc4s3)nc2C1 ZINC001461033882 1067766233 /nfs/dbraw/zinc/76/62/33/1067766233.db2.gz UTPKFLXIVMVFGP-VIFPVBQESA-N 0 0 451.367 4.651 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]3C)c2)n1 ZINC001461036465 1067766492 /nfs/dbraw/zinc/76/64/92/1067766492.db2.gz HKQZGKDBAMOODU-GWJPWWOOSA-N 0 0 454.615 4.560 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461035274 1067766692 /nfs/dbraw/zinc/76/66/92/1067766692.db2.gz DEBQRTMWLOSOLV-WOIUINJBSA-N 0 0 453.583 4.672 20 0 JJADRN O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461035363 1067766703 /nfs/dbraw/zinc/76/67/03/1067766703.db2.gz CSTLBYXGVWLUNI-PXNSSMCTSA-N 0 0 459.359 4.565 20 0 JJADRN COC(=O)c1cnc([C@H](C)NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)s1 ZINC001461037173 1067766986 /nfs/dbraw/zinc/76/69/86/1067766986.db2.gz AZDWAAUTWYNZDT-LBPRGKRZSA-N 0 0 456.911 4.520 20 0 JJADRN CC(=O)N(C)c1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cn1 ZINC001461038702 1067767354 /nfs/dbraw/zinc/76/73/54/1067767354.db2.gz HTQFVEGVXPXMLC-UHFFFAOYSA-N 0 0 457.353 4.625 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461038935 1067767619 /nfs/dbraw/zinc/76/76/19/1067767619.db2.gz KTJGOTVVLBTQFT-IIAWOOMASA-N 0 0 457.384 4.529 20 0 JJADRN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001461040054 1067767673 /nfs/dbraw/zinc/76/76/73/1067767673.db2.gz XUMJEYLQKGBBEQ-SFHVURJKSA-N 0 0 454.368 4.654 20 0 JJADRN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]3C)o2)cc1 ZINC001461042389 1067768254 /nfs/dbraw/zinc/76/82/54/1067768254.db2.gz QQVVNRSXYZPXJW-ZJOUEHCJSA-N 0 0 455.599 4.980 20 0 JJADRN C[C@@H]1C[C@@H](C)N(C(=O)CCc2cc(Br)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001461044044 1067768593 /nfs/dbraw/zinc/76/85/93/1067768593.db2.gz VQYXKVWWACCWRC-RBSFLKMASA-N 0 0 459.450 4.841 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)CCS1 ZINC001546121037 1067768940 /nfs/dbraw/zinc/76/89/40/1067768940.db2.gz IORJSYBNQLBFPR-UXHICEINSA-N 0 0 474.671 4.650 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2cc3c(cncc3Cl)s2)C[C@H]1c1ccc(Br)cc1 ZINC001461048299 1067769226 /nfs/dbraw/zinc/76/92/26/1067769226.db2.gz CMJNNPZTGZBPDO-LSDHHAIUSA-N 0 0 479.783 4.741 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)CCCn2ccc3cc(Cl)ccc32)C[C@H]1c1ccc(F)cc1F ZINC001461047786 1067769301 /nfs/dbraw/zinc/76/93/01/1067769301.db2.gz AQBQEYZQBNIQEH-VQTJNVASSA-N 0 0 460.908 4.768 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC001461049541 1067769599 /nfs/dbraw/zinc/76/95/99/1067769599.db2.gz FRGARXZMZWCYTI-YPIGPJMWSA-N 0 0 470.407 4.823 20 0 JJADRN COC(=O)c1cc(Br)cc(NC(=O)Cc2cc(F)ccc2Br)c1C ZINC001461055544 1067771384 /nfs/dbraw/zinc/77/13/84/1067771384.db2.gz CXNSAANQVLXMMX-UHFFFAOYSA-N 0 0 459.109 4.627 20 0 JJADRN Cc1ccc(C(=O)NCCNC(=O)CCCc2ccccc2)cc1NC(=O)Nc1ccccc1 ZINC001461056061 1067771475 /nfs/dbraw/zinc/77/14/75/1067771475.db2.gz AOHSJLIJMJNPRH-UHFFFAOYSA-N 0 0 458.562 4.508 20 0 JJADRN COc1cc([C@@H](C)NCc2ncc(I)s2)ccc1OC1CCCC1 ZINC001461056397 1067771701 /nfs/dbraw/zinc/77/17/01/1067771701.db2.gz AKUKDIZXLGLBLS-GFCCVEGCSA-N 0 0 458.365 4.929 20 0 JJADRN CCc1cc(Br)cc2c1N(C(=O)Cc1sc(-c3ccn(C)n3)nc1C)CCC2 ZINC001461059285 1067772063 /nfs/dbraw/zinc/77/20/63/1067772063.db2.gz HZGTWIWQOCYXTC-UHFFFAOYSA-N 0 0 459.413 4.699 20 0 JJADRN CO[C@H](C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)c1ccc(Br)s1 ZINC001461058909 1067772161 /nfs/dbraw/zinc/77/21/61/1067772161.db2.gz PHIYNDSVTJWZLH-KRWDZBQOSA-N 0 0 455.443 4.940 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)c2c1C ZINC001461060082 1067772453 /nfs/dbraw/zinc/77/24/53/1067772453.db2.gz BHIHHSRACMBIQT-MRXNPFEDSA-N 0 0 451.658 4.829 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Oc3cc([S@](C)=O)c(C)cc3OC)CC2(Cl)Cl)cc1 ZINC001461061646 1067772907 /nfs/dbraw/zinc/77/29/07/1067772907.db2.gz MPLKEHZABROBCI-WRONEBCDSA-N 0 0 457.375 4.561 20 0 JJADRN COc1cc(C)ccc1Oc1ccccc1CNc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC001461061422 1067773175 /nfs/dbraw/zinc/77/31/75/1067773175.db2.gz RPOBFIDBUBFBMV-UHFFFAOYSA-N 0 0 451.954 4.998 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2nc(CNCc3cc(F)ccc3Br)sc2C1 ZINC001461066926 1067774925 /nfs/dbraw/zinc/77/49/25/1067774925.db2.gz QDEWJUUNQFLHAP-UHFFFAOYSA-N 0 0 456.381 4.628 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3ccc(F)cc3)n2CCc2c(C)noc2C)CCS1 ZINC001546121308 1067775297 /nfs/dbraw/zinc/77/52/97/1067775297.db2.gz SJNKLJMNFVECBS-UHFFFAOYSA-N 0 0 473.618 4.956 20 0 JJADRN Cc1c(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001461068088 1067775332 /nfs/dbraw/zinc/77/53/32/1067775332.db2.gz WHOQYGQNDNYTKK-MRXNPFEDSA-N 0 0 453.505 4.933 20 0 JJADRN CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(Cl)c(I)c1)C(C)(C)C ZINC001461068150 1067775373 /nfs/dbraw/zinc/77/53/73/1067775373.db2.gz RTELNFRJYDLDPW-ZDUSSCGKSA-N 0 0 451.732 4.887 20 0 JJADRN COc1ccc(NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1OCc1cccnc1 ZINC001461069511 1067775431 /nfs/dbraw/zinc/77/54/31/1067775431.db2.gz IBGSLDBDZFDJSY-KRWDZBQOSA-N 0 0 455.477 4.927 20 0 JJADRN CCCCOc1cc(OC)ccc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001461071149 1067776087 /nfs/dbraw/zinc/77/60/87/1067776087.db2.gz OMJKTJNIXZPNHP-LJQANCHMSA-N 0 0 454.567 4.970 20 0 JJADRN CC(C)(C)OC(=O)CC1(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)CCC1 ZINC001461075255 1067776714 /nfs/dbraw/zinc/77/67/14/1067776714.db2.gz JNZSCMLWXVCYGF-UHFFFAOYSA-N 0 0 454.258 4.524 20 0 JJADRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cc(Cl)cc(I)c1 ZINC001461074943 1067776776 /nfs/dbraw/zinc/77/67/76/1067776776.db2.gz IYWKGRLLTODZOO-GFCCVEGCSA-N 0 0 455.723 4.517 20 0 JJADRN Cc1c(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cn2)ccn1Cc1ccccc1 ZINC001461083396 1067778027 /nfs/dbraw/zinc/77/80/27/1067778027.db2.gz BOUDIJFVBQWAOS-HXUWFJFHSA-N 0 0 454.368 4.828 20 0 JJADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC001461083420 1067778430 /nfs/dbraw/zinc/77/84/30/1067778430.db2.gz BRMYFMAAGKDVKI-VBSBHUPXSA-N 0 0 453.421 4.834 20 0 JJADRN CC[C@@H](Oc1ccccc1C)C(=O)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001461086878 1067779036 /nfs/dbraw/zinc/77/90/36/1067779036.db2.gz NXXAKTTWPFAZFS-LJQANCHMSA-N 0 0 457.372 4.630 20 0 JJADRN O=C(c1cc(Cl)ncc1Cl)N(CCc1ccccn1)c1ccc(Br)cn1 ZINC001461089621 1067779856 /nfs/dbraw/zinc/77/98/56/1067779856.db2.gz ZIOOAQGTQYOZTL-UHFFFAOYSA-N 0 0 452.139 4.830 20 0 JJADRN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cc(Br)cnc1Br ZINC001461090769 1067780233 /nfs/dbraw/zinc/78/02/33/1067780233.db2.gz DEXYBENOPOKISI-GOSISDBHSA-N 0 0 456.153 4.983 20 0 JJADRN CCC1(CC)CN(c2nnc(COc3cccc(C)c3)n2Cc2nccn2C(F)F)CCS1 ZINC001546121050 1067780960 /nfs/dbraw/zinc/78/09/60/1067780960.db2.gz JFVZPNZUPDVSAS-UHFFFAOYSA-N 0 0 476.597 4.917 20 0 JJADRN C[C@@H](c1ccccc1)n1cc(NC(=O)c2cc(Br)nc(Br)c2)cn1 ZINC001461094550 1067780999 /nfs/dbraw/zinc/78/09/99/1067780999.db2.gz TWMZULPRBHSXJF-NSHDSACASA-N 0 0 450.134 4.665 20 0 JJADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC001461096304 1067781413 /nfs/dbraw/zinc/78/14/13/1067781413.db2.gz KMJQVYAVLCPMKQ-UHFFFAOYSA-N 0 0 459.974 4.889 20 0 JJADRN Cc1ccc(F)c(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)c1Br ZINC001461098903 1067781748 /nfs/dbraw/zinc/78/17/48/1067781748.db2.gz FLDXYZFRVJYAEX-UHFFFAOYSA-N 0 0 451.336 4.851 20 0 JJADRN Cc1cccc(C)c1CN(CC(C)C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001461104570 1067782794 /nfs/dbraw/zinc/78/27/94/1067782794.db2.gz IFTGWAYSDFKYSK-UHFFFAOYSA-N 0 0 450.623 4.996 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001461114099 1067784184 /nfs/dbraw/zinc/78/41/84/1067784184.db2.gz LHZHMKVAAPMPLM-ORAYPTAESA-N 0 0 451.395 4.772 20 0 JJADRN CCOc1ccc([C@@]2(C(=O)Oc3c(OC)cc(C(C)=O)cc3OC)CC2(Cl)Cl)cc1 ZINC001461120562 1067785249 /nfs/dbraw/zinc/78/52/49/1067785249.db2.gz JROFVWFPLRUPIJ-OAQYLSRUSA-N 0 0 453.318 4.726 20 0 JJADRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 ZINC001461121123 1067785311 /nfs/dbraw/zinc/78/53/11/1067785311.db2.gz SIEDNZWJLSSHBG-KNXBSLHKSA-N 0 0 461.375 4.714 20 0 JJADRN COC[C@H](C)n1c(SCC(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)nnc1-c1ccccc1 ZINC001461124424 1067785964 /nfs/dbraw/zinc/78/59/64/1067785964.db2.gz OVLMIVAKNDRBFZ-SESVDKBCSA-N 0 0 456.656 4.919 20 0 JJADRN COC(C)(C)c1nc(C)c(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)s1 ZINC001461125667 1067786336 /nfs/dbraw/zinc/78/63/36/1067786336.db2.gz QAHZAUVFXGRHKK-UHFFFAOYSA-N 0 0 453.387 4.866 20 0 JJADRN O=C(NC1(c2cccc(Cl)c2)CCC1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001461128362 1067786677 /nfs/dbraw/zinc/78/66/77/1067786677.db2.gz PPDQUJSVNDGTCR-ATVHPVEESA-N 0 0 459.011 4.548 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)n2)cc1 ZINC001461128127 1067786687 /nfs/dbraw/zinc/78/66/87/1067786687.db2.gz OZEQELIEGYKNCI-UHFFFAOYSA-N 0 0 455.927 4.879 20 0 JJADRN C[C@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)CC(F)F ZINC001461129804 1067787070 /nfs/dbraw/zinc/78/70/70/1067787070.db2.gz VRWAZSPCQNGMEW-ZDUSSCGKSA-N 0 0 454.930 4.739 20 0 JJADRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC=C(c4ccccc4C)C3)cc2)ccc1F ZINC001546121897 1067787422 /nfs/dbraw/zinc/78/74/22/1067787422.db2.gz QUCRAUHYZDVAMT-UHFFFAOYSA-N 0 0 450.535 4.783 20 0 JJADRN Cc1ccccc1-c1cc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)n(CCO)n1 ZINC001461142159 1067788200 /nfs/dbraw/zinc/78/82/00/1067788200.db2.gz QUZTVOZGAVOTRW-UHFFFAOYSA-N 0 0 455.484 4.727 20 0 JJADRN Cc1cc(I)cc(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001461144042 1067788764 /nfs/dbraw/zinc/78/87/64/1067788764.db2.gz NQSSKCIJVNYTOB-YOEHRIQHSA-N 0 0 459.331 4.932 20 0 JJADRN CN(CCC(C)(C)C)C(=O)CCCc1nnc(-c2ccccc2I)o1 ZINC001461151998 1067789961 /nfs/dbraw/zinc/78/99/61/1067789961.db2.gz ZEXJTGOYXZBPAP-UHFFFAOYSA-N 0 0 455.340 4.559 20 0 JJADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC001461155590 1067790552 /nfs/dbraw/zinc/79/05/52/1067790552.db2.gz CQKPLCPMVKEBTH-UHFFFAOYSA-N 0 0 456.917 4.857 20 0 JJADRN OCCn1nc(-c2ccccc2)cc1NCc1ccc(Br)c(Br)c1 ZINC001461155202 1067790596 /nfs/dbraw/zinc/79/05/96/1067790596.db2.gz IMDGTVJANCOPQM-UHFFFAOYSA-N 0 0 451.162 4.680 20 0 JJADRN CC[C@@H](C)C[C@@H](NC(=O)c1sc(-c2ccc(C)cc2Br)nc1C)C(=O)OC ZINC001461159366 1067790956 /nfs/dbraw/zinc/79/09/56/1067790956.db2.gz FBVAGGZBIYYWHP-BDJLRTHQSA-N 0 0 453.402 4.897 20 0 JJADRN CC[C@@H](NC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1)C(=O)NCc1cccs1 ZINC001461158213 1067790984 /nfs/dbraw/zinc/79/09/84/1067790984.db2.gz SSOHIFVENGIMDA-HSZRJFAPSA-N 0 0 458.587 4.734 20 0 JJADRN O=C(N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001461166128 1067791612 /nfs/dbraw/zinc/79/16/12/1067791612.db2.gz KBPLIMXXCWHMRT-ARNLJNQMSA-N 0 0 465.496 4.513 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c(Cl)c1 ZINC001461175050 1067792972 /nfs/dbraw/zinc/79/29/72/1067792972.db2.gz RHSVYRLRHCUYLY-GFCCVEGCSA-N 0 0 454.379 4.959 20 0 JJADRN CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(Cl)c1 ZINC001461179205 1067793511 /nfs/dbraw/zinc/79/35/11/1067793511.db2.gz ODLHACLLEKLVGO-ZIAGYGMSSA-N 0 0 450.366 4.813 20 0 JJADRN Cc1ccc([C@@H](NCc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccc(F)cc2Cl)cc1 ZINC001461179983 1067794017 /nfs/dbraw/zinc/79/40/17/1067794017.db2.gz IWKJZXRHIQZNJG-OAQYLSRUSA-N 0 0 453.366 4.968 20 0 JJADRN O=C(Cc1ccc(Cl)cc1)Nc1cccc(Br)c1I ZINC001461185467 1067794931 /nfs/dbraw/zinc/79/49/31/1067794931.db2.gz NYBZFJALOHLPEZ-UHFFFAOYSA-N 0 0 450.501 4.888 20 0 JJADRN CC(C)CCOc1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001461185515 1067794957 /nfs/dbraw/zinc/79/49/57/1067794957.db2.gz ONRFHSSOLDCLTH-UHFFFAOYSA-N 0 0 450.626 4.529 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)c2ccc(I)cc2Cl)c1 ZINC001461187836 1067795313 /nfs/dbraw/zinc/79/53/13/1067795313.db2.gz CHDMKSZASLXUJD-UHFFFAOYSA-N 0 0 458.683 4.547 20 0 JJADRN CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC001461186270 1067795370 /nfs/dbraw/zinc/79/53/70/1067795370.db2.gz TWIMLPIZRUALSR-UHFFFAOYSA-N 0 0 459.735 4.520 20 0 JJADRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC001461186638 1067795395 /nfs/dbraw/zinc/79/53/95/1067795395.db2.gz WUWXBLJPPZALGL-HTAPYJJXSA-N 0 0 458.514 4.899 20 0 JJADRN CC(C)(C)OC(=O)c1cncc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC001461189807 1067795936 /nfs/dbraw/zinc/79/59/36/1067795936.db2.gz IDBINXXSAKFACM-UHFFFAOYSA-N 0 0 457.324 4.970 20 0 JJADRN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)C1=O ZINC001461192468 1067796306 /nfs/dbraw/zinc/79/63/06/1067796306.db2.gz PBVZTKQICVESTE-QHCPKHFHSA-N 0 0 451.573 4.690 20 0 JJADRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C ZINC001461194675 1067797084 /nfs/dbraw/zinc/79/70/84/1067797084.db2.gz NEAFETCQEBYGJC-INIZCTEOSA-N 0 0 451.361 4.756 20 0 JJADRN COc1ccccc1OCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)o1 ZINC001461194572 1067797150 /nfs/dbraw/zinc/79/71/50/1067797150.db2.gz MDBGDZHPQNCUPM-YTQUADARSA-N 0 0 457.567 4.990 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCS[C@H](C(C)C)C2)CCOCC1 ZINC001546122415 1067798539 /nfs/dbraw/zinc/79/85/39/1067798539.db2.gz KMDRHXQREOOMKR-QFIPXVFZSA-N 0 0 485.698 4.932 20 0 JJADRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccccn2)cc1NC(=O)c1ccc(Br)cc1 ZINC001461201648 1067798707 /nfs/dbraw/zinc/79/87/07/1067798707.db2.gz GCWUGQSDJPPPMN-INIZCTEOSA-N 0 0 452.352 4.766 20 0 JJADRN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001461206485 1067799248 /nfs/dbraw/zinc/79/92/48/1067799248.db2.gz QFFVEFYBJNOSPG-LBPRGKRZSA-N 0 0 456.823 4.536 20 0 JJADRN CC(C)N(C)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC001461216520 1067801086 /nfs/dbraw/zinc/80/10/86/1067801086.db2.gz ZEILJMXYZBTYKT-CYBMUJFWSA-N 0 0 453.764 4.989 20 0 JJADRN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)OCc1ccccc1 ZINC001461221889 1067802630 /nfs/dbraw/zinc/80/26/30/1067802630.db2.gz MPYXDDQUELPBLV-QGZVFWFLSA-N 0 0 451.954 4.656 20 0 JJADRN COc1cc(NC(=O)c2ccc(I)c(Cl)c2)cc(Cl)c1OC ZINC001461223052 1067802966 /nfs/dbraw/zinc/80/29/66/1067802966.db2.gz HTWLSSSAMNEKAF-UHFFFAOYSA-N 0 0 452.075 4.868 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc(Cl)c1OC ZINC001461223774 1067803501 /nfs/dbraw/zinc/80/35/01/1067803501.db2.gz STWUDFZIBRVGFX-UHFFFAOYSA-N 0 0 450.720 4.617 20 0 JJADRN O=C(Cc1cccc(I)c1)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001461223733 1067803581 /nfs/dbraw/zinc/80/35/81/1067803581.db2.gz ROVZLYNYIKELRJ-UHFFFAOYSA-N 0 0 453.230 4.596 20 0 JJADRN CC(C)(C)OC(=O)NC1(CC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)CCC1 ZINC001461228597 1067804963 /nfs/dbraw/zinc/80/49/63/1067804963.db2.gz JZIODNZMUNNUDH-UHFFFAOYSA-N 0 0 456.505 4.961 20 0 JJADRN COC(=O)[C@@H]1CN(C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)C[C@H]1C1CC1 ZINC001461238905 1067807092 /nfs/dbraw/zinc/80/70/92/1067807092.db2.gz IYIZNDOCPOXDDI-JKSUJKDBSA-N 0 0 452.498 4.717 20 0 JJADRN CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2cccc(Cl)c2)CCC1 ZINC001546122699 1067807865 /nfs/dbraw/zinc/80/78/65/1067807865.db2.gz ULKNXPJTBQEGOC-UHFFFAOYSA-N 0 0 468.989 4.674 20 0 JJADRN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1cc(C(F)(F)F)no1 ZINC001461243936 1067808130 /nfs/dbraw/zinc/80/81/30/1067808130.db2.gz INBMFZNLHZKXNP-SNVBAGLBSA-N 0 0 452.214 4.896 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461245386 1067808296 /nfs/dbraw/zinc/80/82/96/1067808296.db2.gz WMXDIDYUZQBSAY-CDMIOBSGSA-N 0 0 450.982 4.727 20 0 JJADRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC001461244518 1067808535 /nfs/dbraw/zinc/80/85/35/1067808535.db2.gz NWIAKSKEFCUZHF-OJJQZRKESA-N 0 0 454.655 4.784 20 0 JJADRN COc1cc(NC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)c(C2CC2)cc1Cl ZINC001461244634 1067808543 /nfs/dbraw/zinc/80/85/43/1067808543.db2.gz VYHRTZOFKBMITI-UHFFFAOYSA-N 0 0 451.972 4.817 20 0 JJADRN COc1ccccc1[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl ZINC001461247162 1067808851 /nfs/dbraw/zinc/80/88/51/1067808851.db2.gz JFYCUGAIZVSZCO-NRFANRHFSA-N 0 0 451.375 4.529 20 0 JJADRN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cc(Br)ncc1Br ZINC001461246308 1067809004 /nfs/dbraw/zinc/80/90/04/1067809004.db2.gz PFANAWNWBMKHOP-UHFFFAOYSA-N 0 0 456.525 4.698 20 0 JJADRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCCC3CCN(C(=O)OC(C)(C)C)CC3)c21 ZINC001461249000 1067809373 /nfs/dbraw/zinc/80/93/73/1067809373.db2.gz RGYXXNLVAGIGGV-UHFFFAOYSA-N 0 0 456.587 4.991 20 0 JJADRN O=C(c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001461248420 1067809385 /nfs/dbraw/zinc/80/93/85/1067809385.db2.gz XWDACKMWRJYRER-UHFFFAOYSA-N 0 0 451.533 4.617 20 0 JJADRN CCc1ccc([C@@H](NCc2ccc(-c3cnn(C)c3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251234 1067809834 /nfs/dbraw/zinc/80/98/34/1067809834.db2.gz DWBUFXCYXUQWCO-HHHXNRCGSA-N 0 0 459.615 4.932 20 0 JJADRN COc1ccc2nc(C3CC3)cc(C(=O)NCCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC001461249933 1067810078 /nfs/dbraw/zinc/81/00/78/1067810078.db2.gz YELYNPLRZWCSSB-UHFFFAOYSA-N 0 0 453.583 4.888 20 0 JJADRN O=C(Nc1ncc2[nH]ccc2c1Br)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001461252606 1067810209 /nfs/dbraw/zinc/81/02/09/1067810209.db2.gz FTCKZSZVHSTFPX-UHFFFAOYSA-N 0 0 452.190 4.647 20 0 JJADRN CS(=O)(=O)c1cccc([C@H](NCc2ccn(-c3ccccc3)n2)c2ccc(Cl)cc2)c1 ZINC001461253190 1067810535 /nfs/dbraw/zinc/81/05/35/1067810535.db2.gz FFLDSTVBYJQYCR-XMMPIXPASA-N 0 0 451.979 4.808 20 0 JJADRN COc1ccc(C(=O)OCc2ncc(Br)cc2Cl)c(OCCOC(C)C)c1 ZINC001461255240 1067810742 /nfs/dbraw/zinc/81/07/42/1067810742.db2.gz NCICFTXCWHWSCL-UHFFFAOYSA-N 0 0 458.736 4.667 20 0 JJADRN O=C(OCc1ncc(Br)cc1Cl)C1CCN(c2nc3ccccc3o2)CC1 ZINC001461255463 1067810997 /nfs/dbraw/zinc/81/09/97/1067810997.db2.gz TZWPORCHPXLRJF-UHFFFAOYSA-N 0 0 450.720 4.599 20 0 JJADRN COCCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461256643 1067811594 /nfs/dbraw/zinc/81/15/94/1067811594.db2.gz METYRIPVISNEJU-DEOSSOPVSA-N 0 0 459.995 4.648 20 0 JJADRN COC[C@H](C)Oc1ccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461258052 1067811803 /nfs/dbraw/zinc/81/18/03/1067811803.db2.gz RTWXKEUIVCYMHP-AVRWGWEMSA-N 0 0 457.567 4.522 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC001461261345 1067813039 /nfs/dbraw/zinc/81/30/39/1067813039.db2.gz INYPKINZTLPWMY-CRAIPNDOSA-N 0 0 454.398 4.694 20 0 JJADRN Clc1ccc2c(c1Cl)OC[C@@H]2NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461265356 1067814041 /nfs/dbraw/zinc/81/40/41/1067814041.db2.gz OGWCIMKRNGHZSY-SFHVURJKSA-N 0 0 457.785 4.581 20 0 JJADRN Cc1ccccc1-n1ncc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1C(F)F ZINC001461269538 1067815204 /nfs/dbraw/zinc/81/52/04/1067815204.db2.gz HIYUYYZWQDKNAW-UHFFFAOYSA-N 0 0 459.396 4.664 20 0 JJADRN Cc1ccc(C)c(N2N=C(C(=O)Nc3cnn(-c4ccccc4C)c3C(F)F)CCC2=O)c1 ZINC001461271316 1067815312 /nfs/dbraw/zinc/81/53/12/1067815312.db2.gz VBLHNNBEUJXBGJ-UHFFFAOYSA-N 0 0 451.477 4.857 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c1)c1ccccc1 ZINC001461272029 1067815543 /nfs/dbraw/zinc/81/55/43/1067815543.db2.gz BCABDXVHPFQVIL-IAGOWNOFSA-N 0 0 450.551 4.670 20 0 JJADRN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001461276667 1067815959 /nfs/dbraw/zinc/81/59/59/1067815959.db2.gz YHXHYUIUHHTCTQ-DNVJHFABSA-N 0 0 477.026 4.504 20 0 JJADRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3ncc(Br)s3)s2)cc1OC ZINC001461275761 1067816098 /nfs/dbraw/zinc/81/60/98/1067816098.db2.gz SQSXVVLAXAMLFN-UHFFFAOYSA-N 0 0 454.371 4.631 20 0 JJADRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)c2cc3c(Br)cccc3cn2)C1 ZINC001461275997 1067816139 /nfs/dbraw/zinc/81/61/39/1067816139.db2.gz UWTJVBMRVSFDCQ-OAHLLOKOSA-N 0 0 457.299 4.519 20 0 JJADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001461284483 1067818164 /nfs/dbraw/zinc/81/81/64/1067818164.db2.gz AFMQKMBRLFDSKZ-UONOGXRCSA-N 0 0 453.370 4.697 20 0 JJADRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC001461287071 1067818630 /nfs/dbraw/zinc/81/86/30/1067818630.db2.gz GCJQIESKOYEFHB-LJQANCHMSA-N 0 0 453.963 4.819 20 0 JJADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001461290334 1067819472 /nfs/dbraw/zinc/81/94/72/1067819472.db2.gz PPYCOACDCWIAER-WBVHZDCISA-N 0 0 451.995 4.964 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]3C)cc2s1 ZINC001461290339 1067819520 /nfs/dbraw/zinc/81/95/20/1067819520.db2.gz PRWWXRKWOHQKNG-KBPBESRZSA-N 0 0 452.646 4.722 20 0 JJADRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001461289083 1067819560 /nfs/dbraw/zinc/81/95/60/1067819560.db2.gz XNHFNBFWVKUMQN-YADHBBJMSA-N 0 0 450.579 4.763 20 0 JJADRN C[C@@H]1CN(c2ccc(NCc3ncc(Br)cc3Br)cc2)C[C@H](C)O1 ZINC001461295761 1067820652 /nfs/dbraw/zinc/82/06/52/1067820652.db2.gz UOVDFCGTDKCGNA-BETUJISGSA-N 0 0 455.194 4.832 20 0 JJADRN COc1ccc(C(C)(C)C(=O)Nc2ccnc(-c3cccc(Br)c3)n2)cc1OC ZINC001461294907 1067820737 /nfs/dbraw/zinc/82/07/37/1067820737.db2.gz GJGJXOKOELMVKG-UHFFFAOYSA-N 0 0 456.340 4.840 20 0 JJADRN CCOC(=O)N1[C@@H](C(=O)Nc2nccc(Br)c2Cl)CC[C@H]1c1ccc(C)o1 ZINC001461295634 1067820858 /nfs/dbraw/zinc/82/08/58/1067820858.db2.gz SQKQLNJUXZABCJ-QWHCGFSZSA-N 0 0 456.724 4.700 20 0 JJADRN CC1CCN(c2ccc(C(=O)Nc3ccnc(-c4cccc(Br)c4)n3)cn2)CC1 ZINC001461298139 1067821539 /nfs/dbraw/zinc/82/15/39/1067821539.db2.gz UYNZFSGYGVJJHG-UHFFFAOYSA-N 0 0 452.356 4.790 20 0 JJADRN COc1ccc(N(CCC(=O)N(C)c2ccsc2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001461299141 1067822285 /nfs/dbraw/zinc/82/22/85/1067822285.db2.gz APWUBWAAAUJLCK-UHFFFAOYSA-N 0 0 458.605 4.622 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1C ZINC001461300446 1067822563 /nfs/dbraw/zinc/82/25/63/1067822563.db2.gz KVWCQAOAEOMHEO-STQMWFEESA-N 0 0 459.593 4.709 20 0 JJADRN CCOC(=O)c1sc2nc(NC(=O)c3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1C ZINC001461300438 1067822662 /nfs/dbraw/zinc/82/26/62/1067822662.db2.gz KVWCQAOAEOMHEO-BETUJISGSA-N 0 0 459.593 4.709 20 0 JJADRN COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)c3ccsc3)[C@H]2c2ccccc2OC)cc1 ZINC001461302619 1067822974 /nfs/dbraw/zinc/82/29/74/1067822974.db2.gz XIBNVRJOAIWBDT-XUZZJYLKSA-N 0 0 450.560 4.913 20 0 JJADRN Cc1cc(C)c(N2C[C@@H](C(=O)NC3(c4ccccc4Br)CCC3)CC2=O)c(C)c1 ZINC001461304514 1067823388 /nfs/dbraw/zinc/82/33/88/1067823388.db2.gz CEYOTNWPQASDNR-SFHVURJKSA-N 0 0 455.396 4.923 20 0 JJADRN Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC001461304681 1067823403 /nfs/dbraw/zinc/82/34/03/1067823403.db2.gz ABESCGODZURXBS-QGZVFWFLSA-N 0 0 452.274 4.915 20 0 JJADRN CC[C@]1(c2ccc(NCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)cc2)CCC(=O)NC1=O ZINC001461303973 1067823446 /nfs/dbraw/zinc/82/34/46/1067823446.db2.gz RUQGZTZWDYXIFC-HSZRJFAPSA-N 0 0 456.468 4.792 20 0 JJADRN COC(=O)c1cc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)ccc1C ZINC001461303837 1067823582 /nfs/dbraw/zinc/82/35/82/1067823582.db2.gz JGRGNQGVFGEZSA-UHFFFAOYSA-N 0 0 458.230 4.602 20 0 JJADRN Cc1ccccc1C1(NC(=O)c2cnn(-c3ccccc3)c2I)CCC1 ZINC001461306293 1067823906 /nfs/dbraw/zinc/82/39/06/1067823906.db2.gz MNNUTCPXNYJBKO-UHFFFAOYSA-N 0 0 457.315 4.595 20 0 JJADRN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC001461307386 1067824732 /nfs/dbraw/zinc/82/47/32/1067824732.db2.gz HYPALWBHHQDPJT-PXNSSMCTSA-N 0 0 456.917 4.700 20 0 JJADRN C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC001461309087 1067824950 /nfs/dbraw/zinc/82/49/50/1067824950.db2.gz ZRZGMFLVNDELMP-MGNBDDOMSA-N 0 0 464.278 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccccc3CC(F)(F)F)nc2)CC1 ZINC001461309112 1067825041 /nfs/dbraw/zinc/82/50/41/1067825041.db2.gz PWZNBHQQIGPANK-UHFFFAOYSA-N 0 0 450.505 4.856 20 0 JJADRN COCCOc1cc(C(=O)NC2(c3ccccc3Br)CCC2)nc2ccccc21 ZINC001461310899 1067825473 /nfs/dbraw/zinc/82/54/73/1067825473.db2.gz RORWJPZMGIDMED-UHFFFAOYSA-N 0 0 455.352 4.832 20 0 JJADRN COCCN(C(=O)c1ccsc1C(F)F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001461312158 1067825549 /nfs/dbraw/zinc/82/55/49/1067825549.db2.gz RDVNYGNNNLPEIM-UHFFFAOYSA-N 0 0 452.523 4.576 20 0 JJADRN Cc1ccc(OCc2nc(CNc3ccc(CC(=O)N4CCSCC4)cc3)cs2)cc1 ZINC001461315522 1067826419 /nfs/dbraw/zinc/82/64/19/1067826419.db2.gz ZQIDNMYHYOMTEU-UHFFFAOYSA-N 0 0 453.633 4.761 20 0 JJADRN CCc1cc(Oc2ccc(F)cc2CNc2cccc(C(=O)NCC(N)=O)c2)ccc1Cl ZINC001461316441 1067826446 /nfs/dbraw/zinc/82/64/46/1067826446.db2.gz AJEGLWCPJLRFBN-UHFFFAOYSA-N 0 0 455.917 4.661 20 0 JJADRN COc1ccc(NCc2c(Br)ccc(Cl)c2F)cc1-n1nnnc1C1CC1 ZINC001461314496 1067826496 /nfs/dbraw/zinc/82/64/96/1067826496.db2.gz KEGXDPQAMPDWHG-UHFFFAOYSA-N 0 0 452.715 4.715 20 0 JJADRN COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@]3(C)Cc3cccc(Cl)c3)c(C)c12 ZINC001461322618 1067827579 /nfs/dbraw/zinc/82/75/79/1067827579.db2.gz ZOXSNIASUAXVLN-RUZDIDTESA-N 0 0 455.002 4.804 20 0 JJADRN CCCS(=O)(=O)Nc1cccc(NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1C ZINC001461323499 1067828200 /nfs/dbraw/zinc/82/82/00/1067828200.db2.gz UEKPEVCAWOZYNL-UHFFFAOYSA-N 0 0 452.502 4.963 20 0 JJADRN Cc1ccccc1-n1nc(C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c2c1CCC2 ZINC001461324751 1067828428 /nfs/dbraw/zinc/82/84/28/1067828428.db2.gz FXRWTLBFOKJCHR-MUUNZHRXSA-N 0 0 459.590 4.699 20 0 JJADRN CC(C)(C)OC(=O)[C@@](C)(CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC001461324759 1067828455 /nfs/dbraw/zinc/82/84/55/1067828455.db2.gz FYDJRFXLNWWUGA-VWLOTQADSA-N 0 0 454.567 4.908 20 0 JJADRN Cc1ccc(CNCc2cccc(F)c2I)c(OC[C@H]2CCCO2)c1 ZINC001461325295 1067828655 /nfs/dbraw/zinc/82/86/55/1067828655.db2.gz UMQAKFZOVXKFPC-QGZVFWFLSA-N 0 0 455.311 4.586 20 0 JJADRN Cc1ccc(CNCc2cccc(F)c2I)c(OC[C@@H]2CCCO2)c1 ZINC001461325293 1067828715 /nfs/dbraw/zinc/82/87/15/1067828715.db2.gz UMQAKFZOVXKFPC-KRWDZBQOSA-N 0 0 455.311 4.586 20 0 JJADRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccnn3C)c2c1 ZINC001461326745 1067829012 /nfs/dbraw/zinc/82/90/12/1067829012.db2.gz NZSKXODPVQQABE-DEOSSOPVSA-N 0 0 456.546 4.757 20 0 JJADRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001461327287 1067829689 /nfs/dbraw/zinc/82/96/89/1067829689.db2.gz DOXPAMRXCGFVFP-DJPFJPOOSA-N 0 0 457.619 4.866 20 0 JJADRN O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC001461327717 1067830114 /nfs/dbraw/zinc/83/01/14/1067830114.db2.gz FQTNMYCYHAYLDR-SANMLTNESA-N 0 0 451.588 4.972 20 0 JJADRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccc(F)c2Br)c(F)c1 ZINC001461331659 1067830822 /nfs/dbraw/zinc/83/08/22/1067830822.db2.gz JCMXDXNETHYERL-UHFFFAOYSA-N 0 0 455.299 4.682 20 0 JJADRN C[C@H]1CN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CC2(CCC2)O1 ZINC001461336549 1067831716 /nfs/dbraw/zinc/83/17/16/1067831716.db2.gz SYJRFYWFZUMUAR-JTQLQIEISA-N 0 0 458.221 4.610 20 0 JJADRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001461340582 1067833273 /nfs/dbraw/zinc/83/32/73/1067833273.db2.gz HFBQZQSSAMHYFX-HNNXBMFYSA-N 0 0 455.452 4.757 20 0 JJADRN CC1(C)C[C@@H](NC(=O)c2cc(Br)nc(Br)c2)c2cc(F)ccc2O1 ZINC001461340185 1067833313 /nfs/dbraw/zinc/83/33/13/1067833313.db2.gz WKTKHTMIZYCNNW-GFCCVEGCSA-N 0 0 458.125 4.778 20 0 JJADRN CC(C)(C)OC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1 ZINC001461340613 1067833713 /nfs/dbraw/zinc/83/37/13/1067833713.db2.gz HHSLWVUNCDAHIO-UHFFFAOYSA-N 0 0 451.544 4.868 20 0 JJADRN CC1(C)C[C@@H](NC(=O)c2cc(Br)cnc2Br)c2cc(F)ccc2O1 ZINC001461340828 1067833855 /nfs/dbraw/zinc/83/38/55/1067833855.db2.gz ILFYNWIUFBZVLD-CYBMUJFWSA-N 0 0 458.125 4.778 20 0 JJADRN C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C)c1ccc(I)cc1 ZINC001461343295 1067834096 /nfs/dbraw/zinc/83/40/96/1067834096.db2.gz NQTXKLPXGCYUEG-WMLDXEAASA-N 0 0 457.352 4.508 20 0 JJADRN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001461347699 1067835327 /nfs/dbraw/zinc/83/53/27/1067835327.db2.gz VJBXTBJCLBAKEF-IBGZPJMESA-N 0 0 455.942 4.876 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC001546123684 1067836687 /nfs/dbraw/zinc/83/66/87/1067836687.db2.gz YCTFISXOSXMOOF-FQEVSTJZSA-N 0 0 455.465 4.862 20 0 JJADRN Cc1ccc(-c2nc(CNc3ccc(F)c(NC(=O)CCN4CCOCC4)c3)cs2)cc1 ZINC001461353271 1067836862 /nfs/dbraw/zinc/83/68/62/1067836862.db2.gz UNCXKMWCTPHZMF-UHFFFAOYSA-N 0 0 454.571 4.531 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(Cl)ncc2Br)C12CCCC2 ZINC001461357877 1067837603 /nfs/dbraw/zinc/83/76/03/1067837603.db2.gz BNFFHLJJEDTAHF-AWEZNQCLSA-N 0 0 458.784 4.550 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(F)c(F)cc2Br)C12CCCC2 ZINC001461363972 1067838804 /nfs/dbraw/zinc/83/88/04/1067838804.db2.gz MVIKBRWGHVEKJW-INIZCTEOSA-N 0 0 459.331 4.779 20 0 JJADRN CC[C@H](OCCNC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001461365983 1067839877 /nfs/dbraw/zinc/83/98/77/1067839877.db2.gz PTADPCRSNJTBMT-SFHVURJKSA-N 0 0 458.521 4.850 20 0 JJADRN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)n1 ZINC001461372656 1067840486 /nfs/dbraw/zinc/84/04/86/1067840486.db2.gz OLDXXCWEQAFZKG-BLLLJJGKSA-N 0 0 452.780 4.633 20 0 JJADRN O=C(CCCS(=O)(=O)c1cccc(Br)c1)N1CCC(C2CCCCC2)CC1 ZINC001461372141 1067840519 /nfs/dbraw/zinc/84/05/19/1067840519.db2.gz YUIPLOYUXMJGJG-UHFFFAOYSA-N 0 0 456.446 4.822 20 0 JJADRN CC(C)n1nnnc1-c1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1F ZINC001461375872 1067841043 /nfs/dbraw/zinc/84/10/43/1067841043.db2.gz CUOZPQNTZUGAGP-UHFFFAOYSA-N 0 0 459.451 4.936 20 0 JJADRN O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)N1CCC2(CC2(F)F)CC1 ZINC001461374223 1067841102 /nfs/dbraw/zinc/84/11/02/1067841102.db2.gz VLHXJNKLPSTTMM-UHFFFAOYSA-N 0 0 455.214 4.854 20 0 JJADRN C[C@H](CSc1ccccc1)N(C)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C ZINC001461377007 1067841597 /nfs/dbraw/zinc/84/15/97/1067841597.db2.gz MXPOQPPMCUKWSI-XMSQKQJNSA-N 0 0 456.608 4.996 20 0 JJADRN COc1ccc(C[C@@H]2CCCCN2C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC001461377335 1067841605 /nfs/dbraw/zinc/84/16/05/1067841605.db2.gz ROVGGDBHQBSDOI-NRFANRHFSA-N 0 0 451.494 4.604 20 0 JJADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001461378361 1067841876 /nfs/dbraw/zinc/84/18/76/1067841876.db2.gz WIYMFYLJQQHIAA-DENIHFKCSA-N 0 0 458.599 4.626 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)C2 ZINC001461379008 1067842186 /nfs/dbraw/zinc/84/21/86/1067842186.db2.gz JNFASCKVWDOWMC-GOMRNUEMSA-N 0 0 477.443 4.880 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)C2 ZINC001461379013 1067842223 /nfs/dbraw/zinc/84/22/23/1067842223.db2.gz JNFASCKVWDOWMC-QOYWPIMFSA-N 0 0 477.443 4.880 20 0 JJADRN Cc1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)nn1-c1cc(C)cc(C)c1 ZINC001461385394 1067844276 /nfs/dbraw/zinc/84/42/76/1067844276.db2.gz KPBUUQOHZFTLDR-UHFFFAOYSA-N 0 0 453.384 4.522 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(F)(F)F ZINC001461386586 1067844592 /nfs/dbraw/zinc/84/45/92/1067844592.db2.gz KULDPUOMOOVPRO-CQSZACIVSA-N 0 0 451.228 4.795 20 0 JJADRN CCOC(=O)C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)C(F)(F)F ZINC001461387375 1067844627 /nfs/dbraw/zinc/84/46/27/1067844627.db2.gz MWYYDBYSAZOJSE-KRWDZBQOSA-N 0 0 452.454 4.734 20 0 JJADRN CC[C@@H](C(=O)Nc1ccc(COC)c(C(F)(F)F)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001461388653 1067844654 /nfs/dbraw/zinc/84/46/54/1067844654.db2.gz FGNVUYLESYJJON-KRWDZBQOSA-N 0 0 453.852 4.749 20 0 JJADRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)c1ccc(O[C@@H](C)c3ccccc3)cc1)C2=O ZINC001461386689 1067844677 /nfs/dbraw/zinc/84/46/77/1067844677.db2.gz SFOFUSLGJLGDTB-AQNXPRMDSA-N 0 0 456.542 4.997 20 0 JJADRN C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461388823 1067844887 /nfs/dbraw/zinc/84/48/87/1067844887.db2.gz YSXPJAKXAKMUKI-PMACEKPBSA-N 0 0 456.542 4.967 20 0 JJADRN C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001461388826 1067845119 /nfs/dbraw/zinc/84/51/19/1067845119.db2.gz YSXPJAKXAKMUKI-UXHICEINSA-N 0 0 456.542 4.967 20 0 JJADRN COC(=O)[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@@H]2CCCC[C@H]12 ZINC001461394001 1067845475 /nfs/dbraw/zinc/84/54/75/1067845475.db2.gz IIHPKLDTXAZJMW-VAMGGRTRSA-N 0 0 452.389 4.579 20 0 JJADRN CN1CCc2cc(NC(=O)c3ccc(COc4cccc(Br)c4)o3)ccc2C1=O ZINC001461393052 1067845565 /nfs/dbraw/zinc/84/55/65/1067845565.db2.gz YVXSIEXRSIVYPY-UHFFFAOYSA-N 0 0 455.308 4.502 20 0 JJADRN COCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1C(F)(F)F ZINC001461395792 1067845843 /nfs/dbraw/zinc/84/58/43/1067845843.db2.gz YVZLQTLXKBOQEJ-AWEZNQCLSA-N 0 0 457.246 4.679 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)COc2ccc3c(c2)CCCC3)C1 ZINC001461397320 1067845928 /nfs/dbraw/zinc/84/59/28/1067845928.db2.gz MJODZOXHMDZLOY-QFIPXVFZSA-N 0 0 450.579 4.817 20 0 JJADRN C[C@@]1(CCNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C[C@@]1(F)Cl ZINC001461397500 1067846297 /nfs/dbraw/zinc/84/62/97/1067846297.db2.gz UFWXDSGKJAGVNZ-UXHICEINSA-N 0 0 454.771 4.948 20 0 JJADRN COc1ccc(C(=O)Oc2cccc(C(C)(C)C)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC001461399811 1067846647 /nfs/dbraw/zinc/84/66/47/1067846647.db2.gz AMDCBHKMHSKIQQ-UHFFFAOYSA-N 0 0 451.972 4.650 20 0 JJADRN CC(=O)N(c1nc(CNCCOc2cccc(C(F)(F)F)n2)cs1)c1ccc(F)cc1 ZINC001461399748 1067846685 /nfs/dbraw/zinc/84/66/85/1067846685.db2.gz HYJMUGYGKJQOOF-UHFFFAOYSA-N 0 0 454.449 4.549 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)c2cnc3c(F)ccc(F)c3c2)C1 ZINC001461400615 1067846787 /nfs/dbraw/zinc/84/67/87/1067846787.db2.gz YYQSOBYXNUIDDQ-KRWDZBQOSA-N 0 0 453.489 4.999 20 0 JJADRN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001461411009 1067849116 /nfs/dbraw/zinc/84/91/16/1067849116.db2.gz WKHHZAXEADVFHB-LJQANCHMSA-N 0 0 454.290 4.785 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)NCC(F)(F)c2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461411789 1067849166 /nfs/dbraw/zinc/84/91/66/1067849166.db2.gz VADAGJIBBFXEBK-JXFKEZNVSA-N 0 0 456.867 4.824 20 0 JJADRN CC(C)N1C(=O)C[C@@H](C(=O)NCC(F)(F)c2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001461411797 1067849638 /nfs/dbraw/zinc/84/96/38/1067849638.db2.gz VADAGJIBBFXEBK-OXQOHEQNSA-N 0 0 456.867 4.824 20 0 JJADRN O=C(CCc1ccccc1OC(F)(F)F)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC001461413379 1067849662 /nfs/dbraw/zinc/84/96/62/1067849662.db2.gz UTJYJWCFLKUFDN-KRWDZBQOSA-N 0 0 458.274 4.880 20 0 JJADRN CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](c2ccc(Br)cc2Cl)C(F)(F)F)C1 ZINC001461414594 1067850077 /nfs/dbraw/zinc/85/00/77/1067850077.db2.gz VRRYWKUPACMUHA-BMIGLBTASA-N 0 0 456.686 4.898 20 0 JJADRN CC(C)CN1C[C@H](C(=O)O[C@@H](c2ccc(Br)cc2Cl)C(F)(F)F)CC1=O ZINC001461415136 1067850354 /nfs/dbraw/zinc/85/03/54/1067850354.db2.gz XSTJSYRZBAXTDT-BMIGLBTASA-N 0 0 456.686 4.754 20 0 JJADRN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2ccc(-c3cccs3)cc2)cc1 ZINC001461419181 1067851572 /nfs/dbraw/zinc/85/15/72/1067851572.db2.gz PLRWIXREPDBEHP-NRFANRHFSA-N 0 0 452.601 4.645 20 0 JJADRN C[C@H](Cc1ccc(Br)cc1)C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001461419346 1067852248 /nfs/dbraw/zinc/85/22/48/1067852248.db2.gz VKTZPISXAMZYLH-OAHLLOKOSA-N 0 0 451.405 4.628 20 0 JJADRN O=C(N[C@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461420426 1067852265 /nfs/dbraw/zinc/85/22/65/1067852265.db2.gz SVSWSUQSUQWJPH-IVOMFYJKSA-N 0 0 462.487 4.773 20 0 JJADRN Cc1cc(Br)c(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001461421915 1067852551 /nfs/dbraw/zinc/85/25/51/1067852551.db2.gz UOJKPCSWJWMXJQ-UHFFFAOYSA-N 0 0 456.667 4.957 20 0 JJADRN C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001461428117 1067853631 /nfs/dbraw/zinc/85/36/31/1067853631.db2.gz KPXQBMFFUPYAMV-MEDUHNTESA-N 0 0 465.273 4.507 20 0 JJADRN COc1c(Br)cc(Br)cc1CNc1ccc(-c2ncn(C)n2)cc1 ZINC001461428994 1067853917 /nfs/dbraw/zinc/85/39/17/1067853917.db2.gz WITSUKUVIRANBL-UHFFFAOYSA-N 0 0 452.150 4.628 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC001461432282 1067855052 /nfs/dbraw/zinc/85/50/52/1067855052.db2.gz OSMYKTSFUPMSGQ-INIZCTEOSA-N 0 0 451.498 4.887 20 0 JJADRN Cc1ccc(-c2nc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)[C@@H]3C)cs2)n1C ZINC001461435987 1067856294 /nfs/dbraw/zinc/85/62/94/1067856294.db2.gz ZDPMTOOFYZYSGZ-IFXJQAMLSA-N 0 0 460.397 4.822 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n1 ZINC001461439800 1067856872 /nfs/dbraw/zinc/85/68/72/1067856872.db2.gz ASRKOMLRSJCEMJ-QHCPKHFHSA-N 0 0 457.534 4.892 20 0 JJADRN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n1 ZINC001461440130 1067857327 /nfs/dbraw/zinc/85/73/27/1067857327.db2.gz COPQHTQCGLGVKY-UWJYYQICSA-N 0 0 450.539 4.584 20 0 JJADRN COC(=O)CN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)C1CCCCC1 ZINC001461445718 1067858210 /nfs/dbraw/zinc/85/82/10/1067858210.db2.gz SXOVMDPQOHIZOC-UHFFFAOYSA-N 0 0 458.599 4.588 20 0 JJADRN Fc1ccc(CNCc2c(F)ccc(I)c2F)c(Br)c1 ZINC001461447295 1067858447 /nfs/dbraw/zinc/85/84/47/1067858447.db2.gz BARRBLHDFOAZOF-UHFFFAOYSA-N 0 0 456.043 4.761 20 0 JJADRN O=C(c1csc(C2CCCCC2)n1)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001461447455 1067859066 /nfs/dbraw/zinc/85/90/66/1067859066.db2.gz MGAHFSVFWSFHIV-FUHWJXTLSA-N 0 0 457.562 4.986 20 0 JJADRN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CCC2 ZINC001461447711 1067859193 /nfs/dbraw/zinc/85/91/93/1067859193.db2.gz NSYMBVIXNIZAOC-KRWDZBQOSA-N 0 0 457.452 4.528 20 0 JJADRN CCC1(Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CCOCC1 ZINC001546124430 1067860817 /nfs/dbraw/zinc/86/08/17/1067860817.db2.gz VQABITQYYZACBF-UHFFFAOYSA-N 0 0 454.541 4.665 20 0 JJADRN C[C@@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)C[C@@H](C)O1 ZINC001461458887 1067861889 /nfs/dbraw/zinc/86/18/89/1067861889.db2.gz FUHXIPJRULJHEF-RTBURBONSA-N 0 0 452.599 4.601 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)COc2ccccc2Cl)cc1 ZINC001461470988 1067865849 /nfs/dbraw/zinc/86/58/49/1067865849.db2.gz AKYONAPYIFHNFE-FPOVZHCZSA-N 0 0 474.985 4.637 20 0 JJADRN CC1(C)CCN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC(C)(C)C1 ZINC001461471692 1067866170 /nfs/dbraw/zinc/86/61/70/1067866170.db2.gz NEXHJFZLSPDCKE-UHFFFAOYSA-N 0 0 453.612 4.748 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1csc(-c2ccc(Cl)s2)n1)(C1CCC1)C(F)(F)F ZINC001461472646 1067866472 /nfs/dbraw/zinc/86/64/72/1067866472.db2.gz IEXRVYRYDHHMQO-INIZCTEOSA-N 0 0 452.907 4.919 20 0 JJADRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)nn1C ZINC001461472390 1067866579 /nfs/dbraw/zinc/86/65/79/1067866579.db2.gz VPDFMAKYKUAGAL-CYBMUJFWSA-N 0 0 454.493 4.904 20 0 JJADRN CC(C)(C)OC(=O)c1cc(NC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)ccn1 ZINC001461473067 1067866883 /nfs/dbraw/zinc/86/68/83/1067866883.db2.gz KZVXNVZAWVNJKM-UHFFFAOYSA-N 0 0 456.905 4.756 20 0 JJADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001461473947 1067867225 /nfs/dbraw/zinc/86/72/25/1067867225.db2.gz GVCIECSVJMNGJL-DLTYFMDKSA-N 0 0 474.642 4.890 20 0 JJADRN CC[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001461473948 1067867398 /nfs/dbraw/zinc/86/73/98/1067867398.db2.gz GVCIECSVJMNGJL-HCUBDLJJSA-N 0 0 474.642 4.890 20 0 JJADRN COc1ccc2c(CC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccccc3)coc2c1 ZINC001461476747 1067868856 /nfs/dbraw/zinc/86/88/56/1067868856.db2.gz JWCNQZKXTPFTLZ-FYYLOGMGSA-N 0 0 464.562 4.893 20 0 JJADRN COc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1OC ZINC001461478144 1067869234 /nfs/dbraw/zinc/86/92/34/1067869234.db2.gz OXBIKIZKXLRPCX-TZIWHRDSSA-N 0 0 454.567 4.535 20 0 JJADRN CO[C@](C)(CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)COCc1ccccc1 ZINC001461478092 1067869333 /nfs/dbraw/zinc/86/93/33/1067869333.db2.gz TXOKFFCBZNLKDK-HSZRJFAPSA-N 0 0 450.501 4.657 20 0 JJADRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC001461477442 1067869357 /nfs/dbraw/zinc/86/93/57/1067869357.db2.gz NLOMWWFRKRQBSF-ZNEWLNCYSA-N 0 0 474.642 4.746 20 0 JJADRN COc1cc(CNCc2cc(F)c(Cl)cc2F)cc(I)c1OC ZINC001461479632 1067870432 /nfs/dbraw/zinc/87/04/32/1067870432.db2.gz JMZIJPTWJSRYAH-UHFFFAOYSA-N 0 0 453.654 4.530 20 0 JJADRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)/C(C)=C/c2ccncc2)cc1 ZINC001461481153 1067870882 /nfs/dbraw/zinc/87/08/82/1067870882.db2.gz YAUBUXYPPIRQPR-MWZQPIGSSA-N 0 0 465.594 4.793 20 0 JJADRN COc1ccc(-c2ccnc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)n2)cc1 ZINC001461484704 1067872339 /nfs/dbraw/zinc/87/23/39/1067872339.db2.gz IQPJNVAKYOJPAP-IBGZPJMESA-N 0 0 452.555 4.518 20 0 JJADRN COC(=O)[C@H](NC(=O)c1sc(-c2ccc(C)cc2)nc1C)c1ccccc1Br ZINC001461486814 1067872519 /nfs/dbraw/zinc/87/25/19/1067872519.db2.gz ULAHGPAZWGMALR-QGZVFWFLSA-N 0 0 459.365 4.834 20 0 JJADRN CS(=O)(=O)c1cc(CNCc2cccc(Cl)c2Br)cc(C(F)(F)F)c1 ZINC001461489390 1067873838 /nfs/dbraw/zinc/87/38/38/1067873838.db2.gz XPZWCKQZQKPQKI-UHFFFAOYSA-N 0 0 456.711 4.815 20 0 JJADRN Cc1c(F)c(Br)ccc1NC(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001461490570 1067874136 /nfs/dbraw/zinc/87/41/36/1067874136.db2.gz XWZMYTBBMPHAHO-UHFFFAOYSA-N 0 0 459.035 4.664 20 0 JJADRN O=C(OCc1cnc(-c2ccccc2)nc1)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC001461493315 1067875154 /nfs/dbraw/zinc/87/51/54/1067875154.db2.gz DUHYXYISDOYJBD-NRFANRHFSA-N 0 0 452.352 4.786 20 0 JJADRN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)c1nc(N2CCCC2)ncc1Cl ZINC001461495062 1067875902 /nfs/dbraw/zinc/87/59/02/1067875902.db2.gz LXXJGONOFFOZAQ-UHFFFAOYSA-N 0 0 455.758 4.808 20 0 JJADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(CF)cc2)c1 ZINC001461499389 1067877002 /nfs/dbraw/zinc/87/70/02/1067877002.db2.gz UMQPYLWEHUPNKX-MRXNPFEDSA-N 0 0 457.498 4.792 20 0 JJADRN COc1cc(C)c(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC001461502256 1067877621 /nfs/dbraw/zinc/87/76/21/1067877621.db2.gz CSKRFLGRUYPAFE-UHFFFAOYSA-N 0 0 458.624 4.585 20 0 JJADRN COc1ccc(CNc2cc(C)cc(CNC(=O)C(F)(F)F)c2)cc1OCc1cccnc1 ZINC001461509107 1067879046 /nfs/dbraw/zinc/87/90/46/1067879046.db2.gz XZSMIIOMIDZQKV-UHFFFAOYSA-N 0 0 459.468 4.768 20 0 JJADRN CCCS(=O)(=O)Nc1ccc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(F)c1 ZINC001461515900 1067879841 /nfs/dbraw/zinc/87/98/41/1067879841.db2.gz LXFZKZFLSYBIAU-SFHVURJKSA-N 0 0 456.967 4.801 20 0 JJADRN COCOc1ccc(OC)cc1CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CCO ZINC001461520904 1067880428 /nfs/dbraw/zinc/88/04/28/1067880428.db2.gz NBBVLJOPYVPWCZ-AWEZNQCLSA-N 0 0 453.461 4.602 20 0 JJADRN CCc1cc(Br)c(C)nc1NC(=O)Cc1cccc(I)c1 ZINC001461524658 1067880862 /nfs/dbraw/zinc/88/08/62/1067880862.db2.gz WZWUCMVVCXBHRT-UHFFFAOYSA-N 0 0 459.125 4.501 20 0 JJADRN CSc1ccc(Cl)c(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 ZINC001461522521 1067881086 /nfs/dbraw/zinc/88/10/86/1067881086.db2.gz KVWPDQKSTAAULH-UHFFFAOYSA-N 0 0 453.010 4.770 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(Br)cc1 ZINC001461525297 1067881277 /nfs/dbraw/zinc/88/12/77/1067881277.db2.gz SMGXRHRIURACCH-QXSJWSMHSA-N 0 0 459.331 4.565 20 0 JJADRN O=C(NCc1cc(Cl)ccc1I)c1ccc2c(c1)CCCCC2=O ZINC001461526207 1067881425 /nfs/dbraw/zinc/88/14/25/1067881425.db2.gz DWARWCRIYFQFJV-UHFFFAOYSA-N 0 0 453.707 4.784 20 0 JJADRN O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1cc(Cl)ccc1I ZINC001461529290 1067881646 /nfs/dbraw/zinc/88/16/46/1067881646.db2.gz PHOFGTRRRYFNAV-UHFFFAOYSA-N 0 0 459.114 4.938 20 0 JJADRN Cc1cc(Br)ccc1[C@H](OC(=O)Cc1ccc(-n2cnnc2)cc1)C(F)(F)F ZINC001461527289 1067881684 /nfs/dbraw/zinc/88/16/84/1067881684.db2.gz JYTJNQGHPBNEEA-SFHVURJKSA-N 0 0 454.246 4.728 20 0 JJADRN Cc1cc(Br)ccc1[C@H](OC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F ZINC001461528737 1067881802 /nfs/dbraw/zinc/88/18/02/1067881802.db2.gz PBFWFLWFWXFBDU-KRWDZBQOSA-N 0 0 458.230 4.573 20 0 JJADRN Cc1cc(Br)ccc1[C@@H](OC(=O)CCNC(=O)C1CCCCC1)C(F)(F)F ZINC001461531478 1067882262 /nfs/dbraw/zinc/88/22/62/1067882262.db2.gz WMDPWWJLCOWXGF-QGZVFWFLSA-N 0 0 450.295 4.991 20 0 JJADRN O=C(NCCc1ccc(C2CCCCC2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001461532181 1067882594 /nfs/dbraw/zinc/88/25/94/1067882594.db2.gz VKKUVIGWQIRNND-UHFFFAOYSA-N 0 0 458.599 4.630 20 0 JJADRN COC[C@H](CCNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)OC ZINC001461535488 1067883753 /nfs/dbraw/zinc/88/37/53/1067883753.db2.gz YFKSUZJAWVRNNQ-INIZCTEOSA-N 0 0 454.379 4.689 20 0 JJADRN CN(C(=O)c1ccc(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)cc1)c1ccccc1 ZINC001461535560 1067883892 /nfs/dbraw/zinc/88/38/92/1067883892.db2.gz LJVASVDHYSZPEI-UHFFFAOYSA-N 0 0 451.939 4.726 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CO1 ZINC001461540474 1067884875 /nfs/dbraw/zinc/88/48/75/1067884875.db2.gz GLMWTMWFWXRNMB-HNNXBMFYSA-N 0 0 456.391 4.607 20 0 JJADRN Cn1cc([C@@H]2[C@@H](CNC(=O)CCCCc3ccc(C(C)(C)C)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001461543267 1067885376 /nfs/dbraw/zinc/88/53/76/1067885376.db2.gz SEZZMZQOYICCCR-RLWLMLJZSA-N 0 0 466.670 4.935 20 0 JJADRN CO[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001461544204 1067885684 /nfs/dbraw/zinc/88/56/84/1067885684.db2.gz OCPBQIXGNCTDJR-HXUWFJFHSA-N 0 0 454.368 4.943 20 0 JJADRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)CO1 ZINC001461545235 1067885793 /nfs/dbraw/zinc/88/57/93/1067885793.db2.gz XUHPGOPIHYAUCU-LJQANCHMSA-N 0 0 459.583 4.752 20 0 JJADRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(I)ccc2F)CO1 ZINC001461545870 1067885805 /nfs/dbraw/zinc/88/58/05/1067885805.db2.gz ZUOHDIOZTDVVAX-INIZCTEOSA-N 0 0 453.295 4.640 20 0 JJADRN CCOc1ccc([C@]2(C(=O)Nc3ncccc3C(=O)OC(C)(C)C)CC2(Cl)Cl)cc1 ZINC001461551672 1067886676 /nfs/dbraw/zinc/88/66/76/1067886676.db2.gz UBIWVOPVORVAFK-NRFANRHFSA-N 0 0 451.350 4.890 20 0 JJADRN CC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1cc(OC)cc(OC)c1 ZINC001461558788 1067887892 /nfs/dbraw/zinc/88/78/92/1067887892.db2.gz GKGIVDWSOXMZGS-GOSISDBHSA-N 0 0 451.972 4.965 20 0 JJADRN CC(C)(C)OC(=O)c1cccnc1NC(=O)c1ccc(I)c(Cl)c1 ZINC001461559164 1067888104 /nfs/dbraw/zinc/88/81/04/1067888104.db2.gz OOAZMWOOKJYJRG-UHFFFAOYSA-N 0 0 458.683 4.547 20 0 JJADRN CC(C)(C)OC(=O)c1cccnc1NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 ZINC001461559189 1067888202 /nfs/dbraw/zinc/88/82/02/1067888202.db2.gz PDUACDAOBAQLIR-UHFFFAOYSA-N 0 0 456.905 4.756 20 0 JJADRN C[C@@H](CC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC001461561277 1067888493 /nfs/dbraw/zinc/88/84/93/1067888493.db2.gz OVSQAKUZWXFUFF-AOYOOGHLSA-N 0 0 455.502 4.552 20 0 JJADRN CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CC[C@H](C(N)=O)C2)CCC1 ZINC001546125326 1067888958 /nfs/dbraw/zinc/88/89/58/1067888958.db2.gz BRXPWHRTZGBMPU-ROUUACIJSA-N 0 0 460.022 4.580 20 0 JJADRN CCOC(=O)[C@@](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)(C1CC1)C(F)(F)F ZINC001461563501 1067889488 /nfs/dbraw/zinc/88/94/88/1067889488.db2.gz IJOJLXNQXBBTQO-KRWDZBQOSA-N 0 0 451.228 4.652 20 0 JJADRN CS(=O)(=O)c1cc(NCc2cc(Br)sc2Br)ccc1Cl ZINC001461573007 1067891306 /nfs/dbraw/zinc/89/13/06/1067891306.db2.gz SLXQYOLJJGFANP-UHFFFAOYSA-N 0 0 459.612 4.942 20 0 JJADRN O=C(NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cc(F)cc(Br)c1 ZINC001461575452 1067891589 /nfs/dbraw/zinc/89/15/89/1067891589.db2.gz CMSGIXXCJIUGTE-OAQYLSRUSA-N 0 0 453.311 4.715 20 0 JJADRN CN(C)S(=O)(=O)c1cc(NCc2cc(F)ccc2Oc2cncc(Cl)c2)ccc1F ZINC001461574152 1067891792 /nfs/dbraw/zinc/89/17/92/1067891792.db2.gz ZVKWRCQRNKUYEL-UHFFFAOYSA-N 0 0 453.898 4.668 20 0 JJADRN COc1ccc(NC(=O)COc2ccc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3C)cc2OC)cc1 ZINC001461580499 1067892891 /nfs/dbraw/zinc/89/28/91/1067892891.db2.gz NECCHVJCXUXXSQ-CLYVBNDRSA-N 0 0 474.557 4.693 20 0 JJADRN COc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001461580228 1067893177 /nfs/dbraw/zinc/89/31/77/1067893177.db2.gz LLFFIJACDRDADF-IYIPGHPQSA-N 0 0 470.635 4.524 20 0 JJADRN Cc1cccc(C(=O)N2CCC(Nc3ccc(Cl)c(I)c3)CC2)c1 ZINC001461594777 1067897200 /nfs/dbraw/zinc/89/72/00/1067897200.db2.gz PZWDCAOZXSOFNX-UHFFFAOYSA-N 0 0 454.739 4.970 20 0 JJADRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)c1Cl ZINC001461598361 1067898082 /nfs/dbraw/zinc/89/80/82/1067898082.db2.gz WVSUECZKJMWWPX-OAQYLSRUSA-N 0 0 456.391 4.599 20 0 JJADRN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC001461599519 1067898790 /nfs/dbraw/zinc/89/87/90/1067898790.db2.gz UPDNRSPHEVJZNV-GOSISDBHSA-N 0 0 459.955 4.563 20 0 JJADRN O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCc2sc(Br)cc2C1 ZINC001461600789 1067899255 /nfs/dbraw/zinc/89/92/55/1067899255.db2.gz NPFWRJLPDWFUGR-UHFFFAOYSA-N 0 0 458.168 4.597 20 0 JJADRN COCC[C@@H](CNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001461602359 1067899440 /nfs/dbraw/zinc/89/94/40/1067899440.db2.gz GSHPJMHSQWBOKV-AEFFLSMTSA-N 0 0 454.011 4.696 20 0 JJADRN COCC[C@H](CNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1)NC(=O)OC(C)(C)C ZINC001461602361 1067899598 /nfs/dbraw/zinc/89/95/98/1067899598.db2.gz GSHPJMHSQWBOKV-FUHWJXTLSA-N 0 0 454.011 4.696 20 0 JJADRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1 ZINC001461605773 1067899796 /nfs/dbraw/zinc/89/97/96/1067899796.db2.gz IYOIYZUUJCPIPO-UHFFFAOYSA-N 0 0 450.532 4.838 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1ccc(Cn2cc(Br)cn2)s1 ZINC001461604834 1067899804 /nfs/dbraw/zinc/89/98/04/1067899804.db2.gz JVPVYUNPYHMFID-INIZCTEOSA-N 0 0 454.340 4.752 20 0 JJADRN O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001461608202 1067900827 /nfs/dbraw/zinc/90/08/27/1067900827.db2.gz MQCPYLXFRLDHHS-GMAHTHKFSA-N 0 0 450.485 4.625 20 0 JJADRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)C[C@@H](C)O1 ZINC001461610580 1067901235 /nfs/dbraw/zinc/90/12/35/1067901235.db2.gz VUJWRZIKUITTMX-HZPDHXFCSA-N 0 0 457.546 4.874 20 0 JJADRN Cn1nc(C(F)(F)F)c2cc(C(=O)N3C[C@H](c4cccc(Cl)c4)OCC3(C)C)cnc21 ZINC001461609734 1067901288 /nfs/dbraw/zinc/90/12/88/1067901288.db2.gz WCWHRHHNOVDXHP-MRXNPFEDSA-N 0 0 452.864 4.633 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CNc1ccc(Br)c(CO)c1 ZINC001461614947 1067902253 /nfs/dbraw/zinc/90/22/53/1067902253.db2.gz AOSHOWYTKUSFIW-UHFFFAOYSA-N 0 0 451.162 4.810 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1C(F)(F)F ZINC001461615960 1067902274 /nfs/dbraw/zinc/90/22/74/1067902274.db2.gz FUMQICJPEQSUJY-BBTUJRGHSA-N 0 0 478.511 4.960 20 0 JJADRN COc1ccc(N2C[C@@H](NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2=O)cc1 ZINC001461618989 1067902923 /nfs/dbraw/zinc/90/29/23/1067902923.db2.gz PPLOYSCQZRSUFW-KRWDZBQOSA-N 0 0 452.986 4.727 20 0 JJADRN Cc1sc2nc(CS[C@@H](C)C(=O)N3Cc4ccccc4N(C)C[C@@H]3C)[nH]c(=O)c2c1C ZINC001461619749 1067903016 /nfs/dbraw/zinc/90/30/16/1067903016.db2.gz GJPKATFIMAACGY-BBRMVZONSA-N 0 0 456.637 4.503 20 0 JJADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccc(C)c2)CCCC1 ZINC001546125788 1067903291 /nfs/dbraw/zinc/90/32/91/1067903291.db2.gz LFNRTIPXQKJVQF-CTNGQTDRSA-N 0 0 459.660 4.509 20 0 JJADRN Cc1cc(C)n(-c2ccc(CC(=O)NCC3(Cc4ccc(Br)cc4)CC3)cc2)n1 ZINC001461626186 1067904433 /nfs/dbraw/zinc/90/44/33/1067904433.db2.gz GKKRCSQVXJBKBE-UHFFFAOYSA-N 0 0 452.396 4.933 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)cc1F ZINC001461636356 1067906879 /nfs/dbraw/zinc/90/68/79/1067906879.db2.gz AOTJLWMUNQHUKN-MSOLQXFVSA-N 0 0 451.494 4.763 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)[C@H](OC)c2ccc(Br)s2)c1Cl ZINC001461636576 1067906882 /nfs/dbraw/zinc/90/68/82/1067906882.db2.gz BVUILUDSEVYACR-CYBMUJFWSA-N 0 0 453.141 4.930 20 0 JJADRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 ZINC001461637461 1067907240 /nfs/dbraw/zinc/90/72/40/1067907240.db2.gz LRKJLRLALRSBJK-CTNGQTDRSA-N 0 0 457.958 4.869 20 0 JJADRN COC(=O)c1c(Cl)ccc(NC(=O)Cn2c(=O)sc(C)c2-c2ccccc2)c1Cl ZINC001461639637 1067907640 /nfs/dbraw/zinc/90/76/40/1067907640.db2.gz RLUNGCYEGMTYKZ-UHFFFAOYSA-N 0 0 451.331 4.617 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc1F ZINC001461639646 1067907646 /nfs/dbraw/zinc/90/76/46/1067907646.db2.gz RYBKGWOYGMIOHW-NSHDSACASA-N 0 0 452.269 4.511 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1F ZINC001461640219 1067907649 /nfs/dbraw/zinc/90/76/49/1067907649.db2.gz VBPWDTFIVZUPSP-ZDUSSCGKSA-N 0 0 457.479 4.518 20 0 JJADRN CC(=O)N(C)c1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 ZINC001461642697 1067908064 /nfs/dbraw/zinc/90/80/64/1067908064.db2.gz WXIRAJUERCREBE-UHFFFAOYSA-N 0 0 454.324 4.549 20 0 JJADRN COc1ncc(Br)cc1CNCc1cccc(Br)c1OC(F)F ZINC001461645531 1067908559 /nfs/dbraw/zinc/90/85/59/1067908559.db2.gz OEKKFKVYPDDKEB-UHFFFAOYSA-N 0 0 452.093 4.506 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(Cl)c1Cl ZINC001461647639 1067908903 /nfs/dbraw/zinc/90/89/03/1067908903.db2.gz MIQMBXYKJXVWKL-IIMJZQEZSA-N 0 0 479.351 4.832 20 0 JJADRN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001461646449 1067908933 /nfs/dbraw/zinc/90/89/33/1067908933.db2.gz IAJRITZMTRFULQ-KDOFPFPSSA-N 0 0 473.701 4.834 20 0 JJADRN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC001461650900 1067910110 /nfs/dbraw/zinc/91/01/10/1067910110.db2.gz UXGUEKVTOPLSKS-QAQDUYKDSA-N 0 0 450.373 4.968 20 0 JJADRN C[C@@H](NC(=O)c1cnn2cccc(Br)c12)c1cc(F)c(Br)cc1F ZINC001461652673 1067910400 /nfs/dbraw/zinc/91/04/00/1067910400.db2.gz CDUVBVSWXYEZBH-MRVPVSSYSA-N 0 0 459.088 4.629 20 0 JJADRN Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)nnn1-c1ccccc1Cl ZINC001461652653 1067910558 /nfs/dbraw/zinc/91/05/58/1067910558.db2.gz SALQEOORYRCTHV-VQIMIIECSA-N 0 0 476.021 4.775 20 0 JJADRN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)on2)c1 ZINC001461654090 1067910872 /nfs/dbraw/zinc/91/08/72/1067910872.db2.gz ZNXDLUXFEIQGRR-DYESRHJHSA-N 0 0 457.571 4.896 20 0 JJADRN C[C@H](NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)c1cc(F)c(Br)cc1F ZINC001461656111 1067911276 /nfs/dbraw/zinc/91/12/76/1067911276.db2.gz LEARNPDEZDOZDD-JTQLQIEISA-N 0 0 456.287 4.960 20 0 JJADRN Cn1ccnc1C[C@@H](NCc1cc(Cl)ccc1I)c1ccccc1 ZINC001461656311 1067911337 /nfs/dbraw/zinc/91/13/37/1067911337.db2.gz LSAZFXULMKTIMZ-GOSISDBHSA-N 0 0 451.739 4.752 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001461662098 1067912938 /nfs/dbraw/zinc/91/29/38/1067912938.db2.gz NOCSIMRGVKQLTC-QFBILLFUSA-N 0 0 456.999 4.837 20 0 JJADRN O=C([C@H]1CCC(=O)N1Cc1ccc(Br)cc1)N(Cc1ccccc1F)CC1CC1 ZINC001461663986 1067913472 /nfs/dbraw/zinc/91/34/72/1067913472.db2.gz GSBNANRZLHYYOY-OAQYLSRUSA-N 0 0 459.359 4.518 20 0 JJADRN OCC[C@@H](NCc1cccc(F)c1I)c1cc(Cl)cc(Cl)c1 ZINC001461665715 1067913870 /nfs/dbraw/zinc/91/38/70/1067913870.db2.gz BRXQKXOQPUBAEV-OAHLLOKOSA-N 0 0 454.110 4.950 20 0 JJADRN OC[C@@H]1CCN(c2ccc(NCc3cccc(F)c3Br)cc2Br)C1 ZINC001461668787 1067914602 /nfs/dbraw/zinc/91/46/02/1067914602.db2.gz NUJNITLXLBZWRB-GFCCVEGCSA-N 0 0 458.169 4.781 20 0 JJADRN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(Oc3ccc(F)cc3)cc1)O2 ZINC001461668628 1067914760 /nfs/dbraw/zinc/91/47/60/1067914760.db2.gz LNFCJTMLUCVFMX-OAQYLSRUSA-N 0 0 456.514 4.516 20 0 JJADRN COc1cc(CNc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)cc(Cl)c1OC ZINC001461670760 1067915142 /nfs/dbraw/zinc/91/51/42/1067915142.db2.gz WTSQJOHJVGCUSN-CYBMUJFWSA-N 0 0 455.780 4.550 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC001461675366 1067915889 /nfs/dbraw/zinc/91/58/89/1067915889.db2.gz AHNTYFGJRGPHPW-OAQYLSRUSA-N 0 0 452.986 4.662 20 0 JJADRN COc1ccc(CN2CC[C@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678182 1067916390 /nfs/dbraw/zinc/91/63/90/1067916390.db2.gz OARCRSKYNBHUKI-IBGZPJMESA-N 0 0 452.986 4.662 20 0 JJADRN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 ZINC001461678184 1067916498 /nfs/dbraw/zinc/91/64/98/1067916498.db2.gz OARCRSKYNBHUKI-LJQANCHMSA-N 0 0 452.986 4.662 20 0 JJADRN O=C(N[C@@H]1CCCSc2ccc(Br)cc21)C(=O)c1cnn(-c2ccccc2)c1 ZINC001461683354 1067917809 /nfs/dbraw/zinc/91/78/09/1067917809.db2.gz XXRHNWHWYABIRH-GOSISDBHSA-N 0 0 456.365 4.561 20 0 JJADRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1 ZINC001461682893 1067917881 /nfs/dbraw/zinc/91/78/81/1067917881.db2.gz FFYUGAJVDNJPEF-IUKKYPGJSA-N 0 0 477.026 4.505 20 0 JJADRN CCOC(=O)c1ccc(Cl)c(OC)c1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC001461687497 1067918231 /nfs/dbraw/zinc/91/82/31/1067918231.db2.gz RVYPSOMXRYKTJP-UHFFFAOYSA-N 0 0 457.889 4.591 20 0 JJADRN Cc1ncccc1[C@H](C)OC(=O)c1cc(I)ccc1N1CCCCC1 ZINC001461686474 1067918261 /nfs/dbraw/zinc/91/82/61/1067918261.db2.gz BKYWFHLQEIWZRF-HNNXBMFYSA-N 0 0 450.320 4.903 20 0 JJADRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001461687446 1067918314 /nfs/dbraw/zinc/91/83/14/1067918314.db2.gz PMRSOWQBLRHRMW-LWAXHKBTSA-N 0 0 459.365 4.537 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001461688037 1067918555 /nfs/dbraw/zinc/91/85/55/1067918555.db2.gz LVBGNMFGJUZITN-QFIPXVFZSA-N 0 0 450.514 4.705 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001461688035 1067918564 /nfs/dbraw/zinc/91/85/64/1067918564.db2.gz LVBGNMFGJUZITN-JOCHJYFZSA-N 0 0 450.514 4.705 20 0 JJADRN CCSc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c(Br)c1 ZINC001461692835 1067919686 /nfs/dbraw/zinc/91/96/86/1067919686.db2.gz JTLRDWNZDVWSPI-NHCUHLMSSA-N 0 0 475.452 4.961 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001461693931 1067919706 /nfs/dbraw/zinc/91/97/06/1067919706.db2.gz XFWMPEZBLRUDBS-PMZDYUJOSA-N 0 0 471.598 4.784 20 0 JJADRN CCc1ccccc1O[C@@H](C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001461697489 1067920844 /nfs/dbraw/zinc/92/08/44/1067920844.db2.gz APISLCRBRSHFCW-MQSCRBSSSA-N 0 0 456.558 4.833 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[C@H]1F ZINC001461702249 1067921498 /nfs/dbraw/zinc/92/14/98/1067921498.db2.gz LMNLCEOOCKORHL-HUUCEWRRSA-N 0 0 472.435 4.923 20 0 JJADRN CC1(C)COc2ccc(NCc3c(Br)cncc3Br)cc2NC1=O ZINC001461703582 1067921968 /nfs/dbraw/zinc/92/19/68/1067921968.db2.gz PCKNNTJMKDLXAP-UHFFFAOYSA-N 0 0 455.150 4.576 20 0 JJADRN Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C3)oc21 ZINC001461703416 1067922001 /nfs/dbraw/zinc/92/20/01/1067922001.db2.gz QXURCMIVFFCDKM-HUUCEWRRSA-N 0 0 455.324 4.581 20 0 JJADRN Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cnn1-c1ccccc1Cl ZINC001461707595 1067922696 /nfs/dbraw/zinc/92/26/96/1067922696.db2.gz WQXJQEKOHYVJHF-JOCHJYFZSA-N 0 0 451.954 4.915 20 0 JJADRN O=C(COc1ccccc1C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1)Nc1ccccc1F ZINC001461713461 1067923229 /nfs/dbraw/zinc/92/32/29/1067923229.db2.gz JILOIBCPVSFMSH-OAQYLSRUSA-N 0 0 456.420 4.882 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCc3cccc(COC[C@@H]4CCCO4)c3)CCCC[C@H]12 ZINC001461714637 1067923668 /nfs/dbraw/zinc/92/36/68/1067923668.db2.gz JGTQMSYHIHJLSL-VMODYCNZSA-N 0 0 472.626 4.568 20 0 JJADRN COc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)ccc1OC(F)F ZINC001461716080 1067924061 /nfs/dbraw/zinc/92/40/61/1067924061.db2.gz JTWGZBVMIQIYCI-UHFFFAOYSA-N 0 0 458.284 4.618 20 0 JJADRN COc1ccc(OC(F)(F)F)c(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)c1 ZINC001461717368 1067924070 /nfs/dbraw/zinc/92/40/70/1067924070.db2.gz USCWLTDXIUDVFX-IBGZPJMESA-N 0 0 451.441 4.675 20 0 JJADRN Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCCc4cc(Br)ccc43)CC2=O)cc1F ZINC001461716073 1067924118 /nfs/dbraw/zinc/92/41/18/1067924118.db2.gz OATMRBMSPGXQDG-HRAATJIYSA-N 0 0 459.359 4.833 20 0 JJADRN C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccc2c(c1)CCCO2 ZINC001461718284 1067924460 /nfs/dbraw/zinc/92/44/60/1067924460.db2.gz PTIDEZALNVTOTA-GFCCVEGCSA-N 0 0 453.174 4.957 20 0 JJADRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC001461720327 1067924836 /nfs/dbraw/zinc/92/48/36/1067924836.db2.gz QWJHRDHZTPIPDX-JOCHJYFZSA-N 0 0 459.542 4.766 20 0 JJADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCc2cc3ccncc3s2)c1 ZINC001461726289 1067926692 /nfs/dbraw/zinc/92/66/92/1067926692.db2.gz ACDFHSMJCHJFDQ-UHFFFAOYSA-N 0 0 458.653 4.929 20 0 JJADRN Cc1cc(COc2ccc(C(=O)NC3CCC(OC(C)C)CC3)cc2Br)no1 ZINC001461729982 1067926960 /nfs/dbraw/zinc/92/69/60/1067926960.db2.gz SJJIQWAIOSJFPT-UHFFFAOYSA-N 0 0 451.361 4.791 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(F)cc1 ZINC001461737287 1067927751 /nfs/dbraw/zinc/92/77/51/1067927751.db2.gz ILJMMQXDUQBLGH-MQNTZWLQSA-N 0 0 458.515 4.688 20 0 JJADRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCn2ncc(Br)c2C1 ZINC001461739272 1067928142 /nfs/dbraw/zinc/92/81/42/1067928142.db2.gz PSWLZKVXZAIGFF-UHFFFAOYSA-N 0 0 456.127 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC001461740213 1067928454 /nfs/dbraw/zinc/92/84/54/1067928454.db2.gz ZXRQVNXCBRJKFX-OBTVHEKISA-N 0 0 450.579 4.885 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3csc(COc4ccccc4)n3)cc2)C1 ZINC001461747182 1067929865 /nfs/dbraw/zinc/92/98/65/1067929865.db2.gz UQLPMIUNLNOMLW-GOSISDBHSA-N 0 0 457.621 4.755 20 0 JJADRN O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)c1ccc(I)c(Cl)c1 ZINC001461752943 1067930656 /nfs/dbraw/zinc/93/06/56/1067930656.db2.gz XJNVCJXQUFXBNV-UHFFFAOYSA-N 0 0 450.038 4.866 20 0 JJADRN CC(C)(C)OC(=O)[C@H](NCc1ccc(F)cc1I)c1ccc(F)cc1 ZINC001461768170 1067933348 /nfs/dbraw/zinc/93/33/48/1067933348.db2.gz XHGCOCHQJAAENC-QGZVFWFLSA-N 0 0 459.274 4.742 20 0 JJADRN O=C([C@H](C[C@H]1CCCO1)C(F)(F)F)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001461772319 1067934160 /nfs/dbraw/zinc/93/41/60/1067934160.db2.gz YSCKKGIJAWQHNO-BMFZPTHFSA-N 0 0 452.336 4.890 20 0 JJADRN O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1ccc(F)c(Br)c1F ZINC001461772366 1067934183 /nfs/dbraw/zinc/93/41/83/1067934183.db2.gz IIZUGAVYJCTJAB-UHFFFAOYSA-N 0 0 453.264 4.761 20 0 JJADRN CCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)nc1C ZINC001461772049 1067934216 /nfs/dbraw/zinc/93/42/16/1067934216.db2.gz AWULVZSLRJHYDD-UHFFFAOYSA-N 0 0 451.548 4.780 20 0 JJADRN O=C(Nc1ccc(F)c(Br)c1F)c1cn(-c2ccc(Br)cc2)cn1 ZINC001461773523 1067934560 /nfs/dbraw/zinc/93/45/60/1067934560.db2.gz OZZOMAHBIJGLTI-UHFFFAOYSA-N 0 0 457.072 4.928 20 0 JJADRN CC(C)Cn1ncc2cc(C(=O)N3CC[C@@H](Sc4ccc(Br)cc4)C3)cnc21 ZINC001461772456 1067934564 /nfs/dbraw/zinc/93/45/64/1067934564.db2.gz ZROUXQALEFLCHT-LJQANCHMSA-N 0 0 459.413 4.857 20 0 JJADRN COc1cc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c(Cl)cc1Br ZINC001461774292 1067934942 /nfs/dbraw/zinc/93/49/42/1067934942.db2.gz UIFJCMNTMVBCJG-UHFFFAOYSA-N 0 0 457.662 4.531 20 0 JJADRN Cc1cc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461774383 1067934955 /nfs/dbraw/zinc/93/49/55/1067934955.db2.gz BQYRXBQVNNAAPF-HXUWFJFHSA-N 0 0 453.468 4.647 20 0 JJADRN Cc1c(C(=O)NCc2ccc(-c3ccccc3)s2)nnn1-c1ccccc1Br ZINC001461774326 1067934960 /nfs/dbraw/zinc/93/49/60/1067934960.db2.gz AWCTWAYTSHWUOE-UHFFFAOYSA-N 0 0 453.365 4.997 20 0 JJADRN FC(F)(F)c1ccc(-n2cc(CNC3(c4ncc(Br)cn4)CCC3)cn2)cc1 ZINC001461777651 1067935304 /nfs/dbraw/zinc/93/53/04/1067935304.db2.gz OAUVNLVICJLIBY-UHFFFAOYSA-N 0 0 452.278 4.613 20 0 JJADRN CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)nc1C ZINC001461779177 1067935649 /nfs/dbraw/zinc/93/56/49/1067935649.db2.gz ZBENBGVAQTWMDW-UHFFFAOYSA-N 0 0 458.518 4.911 20 0 JJADRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)c1ccn(-c2ccc(F)cc2C)n1 ZINC001461780156 1067936057 /nfs/dbraw/zinc/93/60/57/1067936057.db2.gz PNSAJYMRCIBREM-LJQANCHMSA-N 0 0 450.297 4.613 20 0 JJADRN COCCCOc1cccc(C(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)c1C ZINC001461780814 1067936146 /nfs/dbraw/zinc/93/61/46/1067936146.db2.gz SBVADFJBILRSAL-FQEVSTJZSA-N 0 0 454.350 4.703 20 0 JJADRN CCn1c(SCC(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)nnc1-c1cccs1 ZINC001546127056 1067936584 /nfs/dbraw/zinc/93/65/84/1067936584.db2.gz LWWLDGOXPZOGPT-LJQANCHMSA-N 0 0 455.653 4.554 20 0 JJADRN Cc1cc2c(c(F)c1)C[C@H](C(=O)NCC(F)(F)c1ccc(F)cc1)N2C(=O)OC(C)(C)C ZINC001461794605 1067938307 /nfs/dbraw/zinc/93/83/07/1067938307.db2.gz IIXTZPDTTILGBR-LJQANCHMSA-N 0 0 452.448 4.848 20 0 JJADRN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC/C=C/c2ccc(Br)cc2)c1 ZINC001461797254 1067938613 /nfs/dbraw/zinc/93/86/13/1067938613.db2.gz LMOGXEPSBNDHRY-HWKANZROSA-N 0 0 454.361 4.604 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1cc(Br)cnc1C1CC1 ZINC001461797019 1067938625 /nfs/dbraw/zinc/93/86/25/1067938625.db2.gz HHXCQONLNNUIDJ-UHFFFAOYSA-N 0 0 457.349 4.807 20 0 JJADRN NC(=O)c1cccc2c1CCN(C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)C2 ZINC001461798711 1067939050 /nfs/dbraw/zinc/93/90/50/1067939050.db2.gz OUZSBXFWQXZADW-QFIPXVFZSA-N 0 0 455.341 4.797 20 0 JJADRN COc1ccc2nc(Cl)c(C(=O)Nc3cccc(S(=O)(=O)c4ccccc4)c3)cc2c1 ZINC001461800748 1067939090 /nfs/dbraw/zinc/93/90/90/1067939090.db2.gz XWOAQZBCDXREQZ-UHFFFAOYSA-N 0 0 452.919 4.982 20 0 JJADRN COc1ccc(Br)c(CC(=O)NCC/C=C/c2ccc(Br)cc2)c1 ZINC001461801136 1067939429 /nfs/dbraw/zinc/93/94/29/1067939429.db2.gz VZLOLLKUPZDVKC-DUXPYHPUSA-N 0 0 453.174 4.982 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001461803184 1067939454 /nfs/dbraw/zinc/93/94/54/1067939454.db2.gz CWKKXZREWUBOHT-YADARESESA-N 0 0 453.926 4.909 20 0 JJADRN Cc1cccc(Oc2ccc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc2)c1 ZINC001461805133 1067939763 /nfs/dbraw/zinc/93/97/63/1067939763.db2.gz OBWXWNMQSGKDKS-GOSISDBHSA-N 0 0 453.461 4.710 20 0 JJADRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2cc3c(Br)cccc3cn2)n1 ZINC001461805440 1067940165 /nfs/dbraw/zinc/94/01/65/1067940165.db2.gz SBORZBWYHOOXEO-UHFFFAOYSA-N 0 0 459.344 4.523 20 0 JJADRN CC(C)Nc1ccc(C(=O)N2CCc3cc(Br)c(Br)cc3C2)cn1 ZINC001461805539 1067940182 /nfs/dbraw/zinc/94/01/82/1067940182.db2.gz UFFKTALLLYLTFJ-UHFFFAOYSA-N 0 0 453.178 4.625 20 0 JJADRN CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001461805176 1067940190 /nfs/dbraw/zinc/94/01/90/1067940190.db2.gz OFZCHFMKYWXSLR-XNRPHZJLSA-N 0 0 452.876 4.887 20 0 JJADRN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001461808549 1067940418 /nfs/dbraw/zinc/94/04/18/1067940418.db2.gz ZMONKQWLPFFADW-VELBRHGASA-N 0 0 450.988 4.855 20 0 JJADRN COc1ccc(OC)c(CN[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 ZINC001461809564 1067940477 /nfs/dbraw/zinc/94/04/77/1067940477.db2.gz GRZLHMRSBJGQJP-RLWLMLJZSA-N 0 0 454.567 4.697 20 0 JJADRN CCOC(=O)c1cccc2[nH]c(NCc3cn(-c4ccc(Br)cc4)nc3C)nc21 ZINC001461814247 1067941267 /nfs/dbraw/zinc/94/12/67/1067941267.db2.gz YKPTVPQFOVNUHM-UHFFFAOYSA-N 0 0 454.328 4.608 20 0 JJADRN O=C(NCc1cccc2c1OC(F)(F)O2)c1cc(Br)sc1Br ZINC001461821822 1067942105 /nfs/dbraw/zinc/94/21/05/1067942105.db2.gz WQHLCVPRJDAMLR-UHFFFAOYSA-N 0 0 455.074 4.525 20 0 JJADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ncco3)ccc2Cl)C1 ZINC001461828199 1067942803 /nfs/dbraw/zinc/94/28/03/1067942803.db2.gz VXRLTRBDKBPXFW-HNNXBMFYSA-N 0 0 459.955 4.668 20 0 JJADRN Cc1cc(N2C[C@H](C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CC2=O)ccc1Br ZINC001461836234 1067944163 /nfs/dbraw/zinc/94/41/63/1067944163.db2.gz HSVZLQBBDGGEPF-LLVKDONJSA-N 0 0 459.237 4.907 20 0 JJADRN CCc1csc(-n2cc(C(=O)Nc3cc(Br)cc(Br)c3)cn2)n1 ZINC001461841435 1067945044 /nfs/dbraw/zinc/94/50/44/1067945044.db2.gz BKGLTMWZFSMEKG-UHFFFAOYSA-N 0 0 456.163 4.669 20 0 JJADRN COc1cc(Cl)c(CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852025 1067947106 /nfs/dbraw/zinc/94/71/06/1067947106.db2.gz KOSREROXDKVUTG-MRXNPFEDSA-N 0 0 457.423 4.501 20 0 JJADRN COc1cc(Cl)c(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852021 1067947125 /nfs/dbraw/zinc/94/71/25/1067947125.db2.gz KOSREROXDKVUTG-INIZCTEOSA-N 0 0 457.423 4.501 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](C)CSc1ccc(F)cc1)C2 ZINC001461851915 1067947152 /nfs/dbraw/zinc/94/71/52/1067947152.db2.gz KLWHXBCPVPDMLX-JTQLQIEISA-N 0 0 458.374 4.707 20 0 JJADRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001461854208 1067947679 /nfs/dbraw/zinc/94/76/79/1067947679.db2.gz SAVUGVKXRWWGFJ-DZGCQCFKSA-N 0 0 450.402 4.796 20 0 JJADRN COC(=O)c1sc2c(c1Br)CN(C(=O)CCSc1ccc(C)c(C)c1)C2 ZINC001461855325 1067948111 /nfs/dbraw/zinc/94/81/11/1067948111.db2.gz XOFBKWDPLUVXDP-UHFFFAOYSA-N 0 0 454.411 4.939 20 0 JJADRN CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001461856304 1067948527 /nfs/dbraw/zinc/94/85/27/1067948527.db2.gz ZWMJHFPRPFVZNO-UHFFFAOYSA-N 0 0 454.977 4.920 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3SC(C)C)CC2)cc1C ZINC001461856874 1067948559 /nfs/dbraw/zinc/94/85/59/1067948559.db2.gz FQLQGAJGNMHIBA-UHFFFAOYSA-N 0 0 453.073 4.964 20 0 JJADRN CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(Br)ccc2OC(F)F)c1 ZINC001461857763 1067948872 /nfs/dbraw/zinc/94/88/72/1067948872.db2.gz IRTLBMIKSAEHGS-UHFFFAOYSA-N 0 0 452.259 4.537 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@@H]1C ZINC001461865058 1067950000 /nfs/dbraw/zinc/95/00/00/1067950000.db2.gz IPTHWJLBIKYTCJ-FWUZGWGZSA-N 0 0 452.542 4.932 20 0 JJADRN CCOc1ccc([C@]2(C(=O)OCc3ccc(O[C@H]4CCOC4)cc3)CC2(Cl)Cl)cc1 ZINC001461865272 1067950034 /nfs/dbraw/zinc/95/00/34/1067950034.db2.gz FLWOGQJRGSYROJ-UNMCSNQZSA-N 0 0 451.346 4.812 20 0 JJADRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc3ccc(Cl)nc3n2)cc1 ZINC001461863982 1067950125 /nfs/dbraw/zinc/95/01/25/1067950125.db2.gz JJDQTMPNPZTGMA-KRWDZBQOSA-N 0 0 454.983 4.735 20 0 JJADRN C[C@H]1CN(c2ccccc2CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867484 1067950515 /nfs/dbraw/zinc/95/05/15/1067950515.db2.gz IRAMPURGFZUBNF-HNNXBMFYSA-N 0 0 455.908 4.654 20 0 JJADRN O=C(NC1CCN(Cc2cc(Br)ccc2Br)CC1)c1ccccc1 ZINC001461869393 1067950976 /nfs/dbraw/zinc/95/09/76/1067950976.db2.gz IZRFBAOCOJUDPV-UHFFFAOYSA-N 0 0 452.190 4.606 20 0 JJADRN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cccc(-c4nnsc4Cl)c3)no2)c1 ZINC001461868335 1067951009 /nfs/dbraw/zinc/95/10/09/1067951009.db2.gz NMWPOENPEIPWKY-UHFFFAOYSA-N 0 0 454.895 4.880 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)Nc1ccc2ccc(Cl)nc2n1 ZINC001461871494 1067951243 /nfs/dbraw/zinc/95/12/43/1067951243.db2.gz XJTWUJAUKOWRTQ-LJQANCHMSA-N 0 0 454.914 4.593 20 0 JJADRN CN(Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H](CO)c1cccc(Br)c1 ZINC001461870660 1067951391 /nfs/dbraw/zinc/95/13/91/1067951391.db2.gz HJYPXAZHCCQDBC-KRWDZBQOSA-N 0 0 456.171 4.502 20 0 JJADRN Cc1cc(C)n(Cc2cccc(C(=O)N3[C@H](C)[C@@H](C)CC[C@H]3CNC(=O)OC(C)(C)C)c2)n1 ZINC001461877458 1067952960 /nfs/dbraw/zinc/95/29/60/1067952960.db2.gz MJLBAAYEBURRST-WGGBDISSSA-N 0 0 454.615 4.702 20 0 JJADRN COc1ccccc1-c1nc(C(=O)N2[C@H](C)[C@@H](C)CC[C@H]2CNC(=O)OC(C)(C)C)cs1 ZINC001461880254 1067953207 /nfs/dbraw/zinc/95/32/07/1067953207.db2.gz ZNIHHYAAPPOAOQ-BBWFWOEESA-N 0 0 459.612 4.973 20 0 JJADRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)Cc2ccc(Br)c(F)c2)[C@@H]1C ZINC001461879208 1067953275 /nfs/dbraw/zinc/95/32/75/1067953275.db2.gz VRZIQJLVHVHISW-FMKPAKJESA-N 0 0 457.384 4.671 20 0 JJADRN Cc1ccc(NC(=O)C2CCN(Cc3cc(OC(F)F)ccc3Br)CC2)nc1 ZINC001461884289 1067954482 /nfs/dbraw/zinc/95/44/82/1067954482.db2.gz AAEAEJNFUIMKIW-UHFFFAOYSA-N 0 0 454.315 4.605 20 0 JJADRN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(OCc4ccccc4)cc3)CCC(=O)N2C)cc1 ZINC001461884802 1067954530 /nfs/dbraw/zinc/95/45/30/1067954530.db2.gz SJJNAQJUTSCHTK-XNMGPUDCSA-N 0 0 458.558 4.500 20 0 JJADRN COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(OCc4ccccc4)cc3)CCC(=O)N2C)cc1 ZINC001461884799 1067954599 /nfs/dbraw/zinc/95/45/99/1067954599.db2.gz SJJNAQJUTSCHTK-VPUSJEBWSA-N 0 0 458.558 4.500 20 0 JJADRN CCC1(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001546127878 1067955351 /nfs/dbraw/zinc/95/53/51/1067955351.db2.gz HRTURDJARMJGHD-AWEZNQCLSA-N 0 0 467.060 4.873 20 0 JJADRN O=C(CCCCc1ccc(I)cc1)NCC1([C@H]2CCCCO2)CCC1 ZINC001461889905 1067955410 /nfs/dbraw/zinc/95/54/10/1067955410.db2.gz OTEVLFQIQFXVFV-LJQANCHMSA-N 0 0 455.380 4.860 20 0 JJADRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC001461890526 1067955446 /nfs/dbraw/zinc/95/54/46/1067955446.db2.gz RJQINZJUFRHWOV-SFHVURJKSA-N 0 0 458.605 4.904 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCC2([C@@H]3CCCCO3)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC001461891004 1067955720 /nfs/dbraw/zinc/95/57/20/1067955720.db2.gz YLBWBEJOCQQFHZ-LSQMVHIFSA-N 0 0 456.627 4.631 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCC2([C@H]3CCCCO3)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC001461891002 1067955914 /nfs/dbraw/zinc/95/59/14/1067955914.db2.gz YLBWBEJOCQQFHZ-ARNLJNQMSA-N 0 0 456.627 4.631 20 0 JJADRN CCOC(=O)[C@@]1(CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCCOC1 ZINC001461893827 1067956306 /nfs/dbraw/zinc/95/63/06/1067956306.db2.gz AYECKVCPMALJNQ-GOSISDBHSA-N 0 0 450.771 4.951 20 0 JJADRN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001461896707 1067956647 /nfs/dbraw/zinc/95/66/47/1067956647.db2.gz FQKUVLBBILUOIG-SFHVURJKSA-N 0 0 455.640 4.660 20 0 JJADRN Cc1nn(-c2ccccc2Br)cc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC001461897589 1067957138 /nfs/dbraw/zinc/95/71/38/1067957138.db2.gz LTVDEADULNAAPE-JXMROGBWSA-N 0 0 451.412 4.774 20 0 JJADRN CC(C)(CN1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccc(Br)cc1 ZINC001461901106 1067957909 /nfs/dbraw/zinc/95/79/09/1067957909.db2.gz RVTNYJRDYQUEFZ-UHFFFAOYSA-N 0 0 453.783 4.977 20 0 JJADRN COc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1C(F)(F)F ZINC001461901701 1067957918 /nfs/dbraw/zinc/95/79/18/1067957918.db2.gz UIEJESCPZLHPCL-NRFANRHFSA-N 0 0 457.404 4.875 20 0 JJADRN CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001461902032 1067958091 /nfs/dbraw/zinc/95/80/91/1067958091.db2.gz LVNJIUAAQRUWFQ-HXUWFJFHSA-N 0 0 451.380 4.874 20 0 JJADRN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001461902903 1067958531 /nfs/dbraw/zinc/95/85/31/1067958531.db2.gz XZJCCMCLTCAVRS-XOBRGWDASA-N 0 0 451.350 4.537 20 0 JJADRN CCOC(=O)[C@@]1(CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCCOC1 ZINC001461903350 1067958556 /nfs/dbraw/zinc/95/85/56/1067958556.db2.gz WAFCPBOREFJKCV-JOCHJYFZSA-N 0 0 452.334 4.875 20 0 JJADRN CCCCOc1cc(OCCC)ccc1C(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC001461907977 1067959313 /nfs/dbraw/zinc/95/93/13/1067959313.db2.gz IAGHVXJTIAHTJO-UHFFFAOYSA-N 0 0 452.595 4.997 20 0 JJADRN Cc1cc(C(F)(F)F)ccc1CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001461915031 1067960770 /nfs/dbraw/zinc/96/07/70/1067960770.db2.gz GRQWJBSHSUQLES-UHFFFAOYSA-N 0 0 452.951 4.625 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccc(F)c2F)c1 ZINC001461928604 1067962903 /nfs/dbraw/zinc/96/29/03/1067962903.db2.gz SCOCDZGJZNWUQS-UHFFFAOYSA-N 0 0 458.530 4.890 20 0 JJADRN C/C(=C\c1ccccc1OC(F)F)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932833 1067963702 /nfs/dbraw/zinc/96/37/02/1067963702.db2.gz FCLNMHAADKSYGS-HCUHUEOSSA-N 0 0 458.549 4.920 20 0 JJADRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001461934950 1067964040 /nfs/dbraw/zinc/96/40/40/1067964040.db2.gz SEKRNXLTHNIBNL-UZQPLGKSSA-N 0 0 456.505 4.578 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC001461935995 1067964161 /nfs/dbraw/zinc/96/41/61/1067964161.db2.gz MWGZEAHLTZHRCY-AREMUKBSSA-N 0 0 454.636 4.797 20 0 JJADRN Fc1ccc(C2OCCO2)c(Cl)c1CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC001461936302 1067964398 /nfs/dbraw/zinc/96/43/98/1067964398.db2.gz GXSNDAMCCSNUGO-SFHVURJKSA-N 0 0 456.739 4.861 20 0 JJADRN CCc1c(C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cnn1-c1ccccc1OC ZINC001461937430 1067964512 /nfs/dbraw/zinc/96/45/12/1067964512.db2.gz JCPLZALOEXXNNB-INIZCTEOSA-N 0 0 454.958 4.574 20 0 JJADRN Cn1cc(C[C@H]2CCN(Cc3c(Br)cc(F)c(F)c3N3CCCCC3)C2)cn1 ZINC001461940858 1067964908 /nfs/dbraw/zinc/96/49/08/1067964908.db2.gz OYVQVPRGPYYGCO-OAHLLOKOSA-N 0 0 453.375 4.516 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001461940542 1067965239 /nfs/dbraw/zinc/96/52/39/1067965239.db2.gz HSHOBHWOYCMVON-UHFFFAOYSA-N 0 0 450.501 4.858 20 0 JJADRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1 ZINC001461942803 1067965499 /nfs/dbraw/zinc/96/54/99/1067965499.db2.gz VKUAMXUGGBTECI-XMMPIXPASA-N 0 0 453.633 4.861 20 0 JJADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC001461943381 1067966020 /nfs/dbraw/zinc/96/60/20/1067966020.db2.gz UUMZBRPXLIEZQR-QGZVFWFLSA-N 0 0 457.409 4.631 20 0 JJADRN COc1ccc2cc(/C=C\C(=O)N3C[C@]4(C)CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)ccc2c1 ZINC001461947016 1067966721 /nfs/dbraw/zinc/96/67/21/1067966721.db2.gz QBOZVJQYCXXKSE-VBYBXVCCSA-N 0 0 450.579 4.967 20 0 JJADRN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CCO2)cc1 ZINC001461948132 1067966837 /nfs/dbraw/zinc/96/68/37/1067966837.db2.gz ROAZVHTXMPUHIL-HXUWFJFHSA-N 0 0 456.951 4.876 20 0 JJADRN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)nc2sccc21 ZINC001461953322 1067967849 /nfs/dbraw/zinc/96/78/49/1067967849.db2.gz RUUBAFPNFAPHQO-LBPRGKRZSA-N 0 0 455.337 4.922 20 0 JJADRN COc1c(Br)cccc1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC001461955266 1067968309 /nfs/dbraw/zinc/96/83/09/1067968309.db2.gz BXSLDUFZMZSLMA-UHFFFAOYSA-N 0 0 452.780 4.851 20 0 JJADRN Cc1cccc(N(C(=O)c2ncc(Br)cc2Br)C2CCOCC2)c1 ZINC001461958746 1067969333 /nfs/dbraw/zinc/96/93/33/1067969333.db2.gz PFKZUSJRIZIXLH-UHFFFAOYSA-N 0 0 454.162 4.741 20 0 JJADRN Fc1ccc(F)c(N2CCN(Cc3cc(Br)sc3Br)CC2)c1 ZINC001461959424 1067969354 /nfs/dbraw/zinc/96/93/54/1067969354.db2.gz HGYNAWGVZABWDR-UHFFFAOYSA-N 0 0 452.162 4.874 20 0 JJADRN CCOC[C@@H]1CCCN(Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001461959483 1067969385 /nfs/dbraw/zinc/96/93/85/1067969385.db2.gz HVDWQWDUYUCPSN-OAHLLOKOSA-N 0 0 455.828 4.603 20 0 JJADRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCc2cc(F)cc(Br)c2C1 ZINC001461966232 1067970820 /nfs/dbraw/zinc/97/08/20/1067970820.db2.gz QZPWBDVWAYHIGK-UHFFFAOYSA-N 0 0 457.130 4.670 20 0 JJADRN Cc1cc(Oc2cc(Cl)ccc2CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001461966196 1067970834 /nfs/dbraw/zinc/97/08/34/1067970834.db2.gz PPWKAWHGKUYJEO-LJQANCHMSA-N 0 0 459.993 4.708 20 0 JJADRN O=C(CCC(=O)N1CCc2sccc2C1)Oc1cccc2sc(Br)cc21 ZINC001461977025 1067973445 /nfs/dbraw/zinc/97/34/45/1067973445.db2.gz VVXCLTVDADTCSA-UHFFFAOYSA-N 0 0 450.379 4.996 20 0 JJADRN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@@H](C)c1sc(C)nc1C ZINC001461977715 1067973464 /nfs/dbraw/zinc/97/34/64/1067973464.db2.gz VHQGIHXANXFWMI-AWEZNQCLSA-N 0 0 455.418 4.966 20 0 JJADRN COC[C@@H](C)N(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCc2ccccc21 ZINC001461980959 1067974048 /nfs/dbraw/zinc/97/40/48/1067974048.db2.gz WTRNYKSGMBASJG-JLTOFOAXSA-N 0 0 456.336 4.720 20 0 JJADRN CC(C)(C(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001461978324 1067974085 /nfs/dbraw/zinc/97/40/85/1067974085.db2.gz BYZFICJXTZGQCJ-OAHLLOKOSA-N 0 0 452.407 4.664 20 0 JJADRN Cc1cc(C(=O)NC2(c3c(F)cccc3F)CCC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC001461982621 1067974375 /nfs/dbraw/zinc/97/43/75/1067974375.db2.gz NHVWXQPIGSOZPO-UHFFFAOYSA-N 0 0 456.533 4.782 20 0 JJADRN O=C(CCOc1cccc(I)c1)NC1(c2c(F)cccc2F)CCC1 ZINC001461983723 1067974960 /nfs/dbraw/zinc/97/49/60/1067974960.db2.gz QXLRPBBFTPRHDG-UHFFFAOYSA-N 0 0 457.258 4.534 20 0 JJADRN CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC001461996825 1067977112 /nfs/dbraw/zinc/97/71/12/1067977112.db2.gz MSFQVSYOZQHPJR-HNNXBMFYSA-N 0 0 457.383 4.692 20 0 JJADRN O=C(NC[C@H]1CCCC12CC2)c1c(I)ccc(Br)c1F ZINC001461996656 1067977151 /nfs/dbraw/zinc/97/71/51/1067977151.db2.gz LTJOHPXDTVFGTJ-SECBINFHSA-N 0 0 452.105 4.503 20 0 JJADRN O=C(Nc1cccc(OCc2ccccc2)c1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC001462002797 1067978165 /nfs/dbraw/zinc/97/81/65/1067978165.db2.gz YTZAQUMUQHYTQF-NRFANRHFSA-N 0 0 456.589 4.509 20 0 JJADRN CCN1c2ccc(NC(=O)c3c(F)ccc(Br)c3F)cc2OCC(C)(C)C1=O ZINC001462006638 1067978973 /nfs/dbraw/zinc/97/89/73/1067978973.db2.gz AHEDJEQHZSGWGZ-UHFFFAOYSA-N 0 0 453.283 4.751 20 0 JJADRN COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(OC)c3ccccc23)c1 ZINC001462011337 1067980083 /nfs/dbraw/zinc/98/00/83/1067980083.db2.gz ZLKOWJWOJQNQSF-JOCHJYFZSA-N 0 0 450.535 4.932 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(Br)c(F)c1F ZINC001462010669 1067980125 /nfs/dbraw/zinc/98/01/25/1067980125.db2.gz VRXSHEQCJGTSEH-DZGCQCFKSA-N 0 0 461.347 4.817 20 0 JJADRN O=C(c1ccc(OC(F)F)cc1F)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001462012637 1067980347 /nfs/dbraw/zinc/98/03/47/1067980347.db2.gz QBLYNRSHNAIOOF-UHFFFAOYSA-N 0 0 456.258 4.898 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC001462015235 1067981279 /nfs/dbraw/zinc/98/12/79/1067981279.db2.gz RARPDPMQDQKRKF-UHFFFAOYSA-N 0 0 454.514 4.680 20 0 JJADRN COCO[C@H](C)c1cc(F)c(CN2CCO[C@H](Cc3ccccc3)C2)cc1Br ZINC001462015126 1067981390 /nfs/dbraw/zinc/98/13/90/1067981390.db2.gz SLKOGVJHDTYBCL-VQIMIIECSA-N 0 0 452.364 4.713 20 0 JJADRN CN1C(=O)C[C@H](C(=O)NCc2ccsc2C(F)(F)F)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001462017558 1067981829 /nfs/dbraw/zinc/98/18/29/1067981829.db2.gz ATMUACWEKZGZQD-XHDPSFHLSA-N 0 0 451.297 4.910 20 0 JJADRN CCc1c(C(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)nnn1-c1ccc(OC(C)C)cc1 ZINC001462022375 1067982862 /nfs/dbraw/zinc/98/28/62/1067982862.db2.gz LOXIZBQNIXYOQO-FQEVSTJZSA-N 0 0 459.594 4.860 20 0 JJADRN CCOC(=O)c1nc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)sc1C ZINC001462024162 1067983635 /nfs/dbraw/zinc/98/36/35/1067983635.db2.gz BREWHBJHXZZILI-UHFFFAOYSA-N 0 0 452.561 4.821 20 0 JJADRN CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001462026737 1067984208 /nfs/dbraw/zinc/98/42/08/1067984208.db2.gz YTFFYWPVIKKNLA-HXUWFJFHSA-N 0 0 458.528 4.946 20 0 JJADRN CN(Cc1ccccc1Br)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462027930 1067984438 /nfs/dbraw/zinc/98/44/38/1067984438.db2.gz JSOYPGIPHAHEQR-UHFFFAOYSA-N 0 0 454.206 4.680 20 0 JJADRN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)cc1 ZINC001462030029 1067984515 /nfs/dbraw/zinc/98/45/15/1067984515.db2.gz DQTMWLJPTKKENN-IBGZPJMESA-N 0 0 457.933 4.601 20 0 JJADRN C[C@@H]1CCC[C@@H]([N@H+](Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033316 1067984873 /nfs/dbraw/zinc/98/48/73/1067984873.db2.gz MEVCQDZGHRXABV-JBYIUTFZSA-N 0 0 455.599 4.931 20 0 JJADRN COc1ccc(CN2CCN(Cc3cc4c(cc(F)cc4Br)[nH]3)CC2)cc1F ZINC001462034793 1067985715 /nfs/dbraw/zinc/98/57/15/1067985715.db2.gz QZOYEYHKKSVGGP-UHFFFAOYSA-N 0 0 450.327 4.535 20 0 JJADRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCCc1ccccc1OCc1ccccc1)CC2 ZINC001462036810 1067986131 /nfs/dbraw/zinc/98/61/31/1067986131.db2.gz TZALQQUXXXPQLD-UHFFFAOYSA-N 0 0 450.579 4.856 20 0 JJADRN O=C(NCCc1ccccc1OCc1ccccc1)c1cc2c(cc1Br)OCO2 ZINC001462037079 1067986197 /nfs/dbraw/zinc/98/61/97/1067986197.db2.gz VJSSIUHTLODPGX-UHFFFAOYSA-N 0 0 454.320 4.729 20 0 JJADRN Cc1nc(C)c(-c2ccnc(N(C)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)s1 ZINC001462038815 1067986545 /nfs/dbraw/zinc/98/65/45/1067986545.db2.gz FSZYBDVHLDJQNG-UHFFFAOYSA-N 0 0 458.469 4.698 20 0 JJADRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039801 1067986721 /nfs/dbraw/zinc/98/67/21/1067986721.db2.gz SVZMOACGFRUTBN-MRXNPFEDSA-N 0 0 456.530 4.562 20 0 JJADRN Cc1nc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC001462045782 1067988751 /nfs/dbraw/zinc/98/87/51/1067988751.db2.gz QMWYZZDJPQPGFH-DBOLQNLKSA-N 0 0 453.583 4.875 20 0 JJADRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cncc(N(C)C)c3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001462058650 1067993207 /nfs/dbraw/zinc/99/32/07/1067993207.db2.gz GGFSOTVUBWQJJV-AHWVRZQESA-N 0 0 458.562 4.588 20 0 JJADRN COC(C)(C)c1nsc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC001462058895 1067993349 /nfs/dbraw/zinc/99/33/49/1067993349.db2.gz DPIWVMGXBHBCNP-CVEARBPZSA-N 0 0 481.018 4.662 20 0 JJADRN CCO[C@@H]1C[C@@H](NCc2c(Br)cc(F)c(F)c2N2CCCCC2)[C@@]12CCCO2 ZINC001462061527 1067993882 /nfs/dbraw/zinc/99/38/82/1067993882.db2.gz GWPAUJBVONKLKA-OPYAIIAOSA-N 0 0 459.375 4.534 20 0 JJADRN COc1cc(C(=O)Nc2cncc(N(C)C)c2)ccc1OCc1ccc(Br)cc1 ZINC001462062399 1067994070 /nfs/dbraw/zinc/99/40/70/1067994070.db2.gz SRHKZARZIVUBKZ-UHFFFAOYSA-N 0 0 456.340 4.750 20 0 JJADRN Cc1c(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)nnn1-c1ccccc1Br ZINC001462066523 1067995256 /nfs/dbraw/zinc/99/52/56/1067995256.db2.gz SWXXUVCURLOTLG-KRWDZBQOSA-N 0 0 457.347 4.886 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)Cc3ccccc3OC3CCCC3)cc2F)n1 ZINC001462069323 1067995712 /nfs/dbraw/zinc/99/57/12/1067995712.db2.gz UHTHVCNGTDMRSG-UHFFFAOYSA-N 0 0 451.498 4.691 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)CCCOc3ccc(Cl)c(C)c3)cc2F)n1 ZINC001462068183 1067995785 /nfs/dbraw/zinc/99/57/85/1067995785.db2.gz LFSQGOOVVMYCTO-UHFFFAOYSA-N 0 0 459.905 4.948 20 0 JJADRN CCOC(=O)c1ccn(-c2ccc(NC(=O)[C@H](Oc3cccc(Cl)c3)C(C)C)cc2F)n1 ZINC001462070106 1067996139 /nfs/dbraw/zinc/99/61/39/1067996139.db2.gz YLAMZHCTORRSRD-OAQYLSRUSA-N 0 0 459.905 4.884 20 0 JJADRN CCOC(=O)Cn1cc(CN2CCN(CC(F)(F)F)c3ccccc32)c(-c2ccccc2)n1 ZINC001462076639 1067996866 /nfs/dbraw/zinc/99/68/66/1067996866.db2.gz SLODIOHTNDAFKL-UHFFFAOYSA-N 0 0 458.484 4.502 20 0 JJADRN COc1ccc2c(c1)nc(NC(=O)c1nc(Br)ccc1F)n2Cc1ccccc1 ZINC001462087833 1067999706 /nfs/dbraw/zinc/99/97/06/1067999706.db2.gz PRTLCGBUGUUPLG-UHFFFAOYSA-N 0 0 455.287 4.642 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@H](OC)C2)CCCC1 ZINC001546129329 1068000267 /nfs/dbraw/zinc/00/02/67/1068000267.db2.gz BJVFNRYVCXBORQ-QFBILLFUSA-N 0 0 464.452 4.878 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN2CCOc3c2cccc3C(C)(C)C)C1 ZINC001462093742 1068001034 /nfs/dbraw/zinc/00/10/34/1068001034.db2.gz JFOIXALHEOMUFA-SFHVURJKSA-N 0 0 455.603 4.547 20 0 JJADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccnc1Sc1ccccc1 ZINC001462094745 1068001160 /nfs/dbraw/zinc/00/11/60/1068001160.db2.gz JKMFXRNVIUBGIX-IBGZPJMESA-N 0 0 457.477 4.787 20 0 JJADRN O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)C1 ZINC001462096309 1068001768 /nfs/dbraw/zinc/00/17/68/1068001768.db2.gz KFGUJRRTNSVKBK-SVBPBHIXSA-N 0 0 450.554 4.823 20 0 JJADRN CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c2ccccc21 ZINC001462101348 1068002517 /nfs/dbraw/zinc/00/25/17/1068002517.db2.gz CEBIOSSXVSGIKG-CWGXUGAXSA-N 0 0 454.636 4.968 20 0 JJADRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC001462104487 1068003638 /nfs/dbraw/zinc/00/36/38/1068003638.db2.gz OKXVBOSGCPFWLS-PWAGRJGVSA-N 0 0 455.396 4.848 20 0 JJADRN COCO[C@@H](C)c1cc(F)c(CN2CCC[C@@](OC)(C(F)(F)F)C2)cc1Br ZINC001462108241 1068005400 /nfs/dbraw/zinc/00/54/00/1068005400.db2.gz XXFSQCSMOLVGSN-SJCJKPOMSA-N 0 0 458.290 4.813 20 0 JJADRN COC(=O)[C@H](Cc1ccccc1)NCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001462115519 1068006783 /nfs/dbraw/zinc/00/67/83/1068006783.db2.gz HZJJAKXIVRHVAF-NRFANRHFSA-N 0 0 456.384 4.632 20 0 JJADRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC001462115772 1068007379 /nfs/dbraw/zinc/00/73/79/1068007379.db2.gz WCEKTPWRPWTOMT-DEOSSOPVSA-N 0 0 457.357 4.675 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546129497 1068007868 /nfs/dbraw/zinc/00/78/68/1068007868.db2.gz IGSKXRFIDHJZPE-UHFFFAOYSA-N 0 0 485.629 4.646 20 0 JJADRN COC(=O)[C@@H](NC[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC001462120744 1068009003 /nfs/dbraw/zinc/00/90/03/1068009003.db2.gz XWAIUFXCRZWJGQ-LPHOPBHVSA-N 0 0 457.011 4.872 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c2ccccc12 ZINC001462123242 1068009786 /nfs/dbraw/zinc/00/97/86/1068009786.db2.gz NXJGBVIVIUEHQW-QUCCMNQESA-N 0 0 455.308 4.500 20 0 JJADRN Cc1c(F)cccc1N(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCO[C@@H]1C ZINC001462122625 1068009801 /nfs/dbraw/zinc/00/98/01/1068009801.db2.gz XVJWOCAWCFSQCE-YSZBQJHXSA-N 0 0 456.558 4.986 20 0 JJADRN Cn1cc(CC[NH2+]Cc2cc(Br)c([O-])c(Br)c2)c2ccc(F)cc21 ZINC001462129152 1068011593 /nfs/dbraw/zinc/01/15/93/1068011593.db2.gz RDQXLOZFOPCMPA-UHFFFAOYSA-N 0 0 456.153 4.880 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC001462129323 1068011662 /nfs/dbraw/zinc/01/16/62/1068011662.db2.gz LWILULJYGIPYCH-MAUKXSAKSA-N 0 0 459.589 4.875 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)c2)cc1 ZINC001462130621 1068012067 /nfs/dbraw/zinc/01/20/67/1068012067.db2.gz PQNDMCINCVGZPQ-HSZRJFAPSA-N 0 0 454.979 4.891 20 0 JJADRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c2ccccc12 ZINC001462132944 1068012315 /nfs/dbraw/zinc/01/23/15/1068012315.db2.gz ZBFQCYMVORNUDG-JTSKRJEESA-N 0 0 454.885 4.577 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)nn1 ZINC001462132904 1068012653 /nfs/dbraw/zinc/01/26/53/1068012653.db2.gz KCILRTLMKCRCLD-SFHVURJKSA-N 0 0 451.340 4.966 20 0 JJADRN FC(F)(F)c1cccc([C@]2(F)CCN(Cc3ncc(I)s3)C2)c1 ZINC001462136268 1068013393 /nfs/dbraw/zinc/01/33/93/1068013393.db2.gz IVAPQCHMPREYFH-AWEZNQCLSA-N 0 0 456.246 4.837 20 0 JJADRN CCOC(=O)Cn1cc(CN(CC)Cc2ccccc2Br)c(-c2ccccc2)n1 ZINC001462142189 1068014042 /nfs/dbraw/zinc/01/40/42/1068014042.db2.gz AMGYZOBZIYTZCW-UHFFFAOYSA-N 0 0 456.384 4.898 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 ZINC001462143831 1068014613 /nfs/dbraw/zinc/01/46/13/1068014613.db2.gz FCDYSEHSZPAUFY-BJKOFHAPSA-N 0 0 473.573 4.979 20 0 JJADRN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC001462147896 1068015320 /nfs/dbraw/zinc/01/53/20/1068015320.db2.gz QOZHTUIQRDDAHP-SLARRSDRSA-N 0 0 457.621 4.614 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(Cc2nc(Br)cs2)[C@H](c2cccc(F)c2)C1 ZINC001462151659 1068016501 /nfs/dbraw/zinc/01/65/01/1068016501.db2.gz WAEVFPKNSCXSLE-HNNXBMFYSA-N 0 0 456.381 4.839 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)nc(C)n1 ZINC001462153981 1068017638 /nfs/dbraw/zinc/01/76/38/1068017638.db2.gz CSNPBJWKQGVSRN-UHFFFAOYSA-N 0 0 458.490 4.678 20 0 JJADRN CCOCCN(C(=O)c1scc(C)c1I)[C@H]1CCc2ccccc21 ZINC001462155921 1068018478 /nfs/dbraw/zinc/01/84/78/1068018478.db2.gz WUNBPQFSQGDQGE-INIZCTEOSA-N 0 0 455.361 4.827 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3ccc(Cl)c(CN4CCOCC4)c3)C[C@H]2C1 ZINC001462160872 1068019095 /nfs/dbraw/zinc/01/90/95/1068019095.db2.gz DPYGYNUJBDAOEX-CMKODMSKSA-N 0 0 450.023 4.620 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cscc3Br)cc2)CC1 ZINC001462161493 1068019390 /nfs/dbraw/zinc/01/93/90/1068019390.db2.gz DPCBODCBUOHYJK-UHFFFAOYSA-N 0 0 451.386 4.538 20 0 JJADRN C[C@H](Oc1ccccc1Br)C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC001462165432 1068019771 /nfs/dbraw/zinc/01/97/71/1068019771.db2.gz RUSSXXRMHNUEJZ-JTQLQIEISA-N 0 0 454.118 4.783 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CCC1 ZINC001546129773 1068019804 /nfs/dbraw/zinc/01/98/04/1068019804.db2.gz SQYGMQXMBIRSIF-WFASDCNBSA-N 0 0 476.341 4.772 20 0 JJADRN CN(C(=O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2)C1)c1ccccc1 ZINC001462165725 1068020033 /nfs/dbraw/zinc/02/00/33/1068020033.db2.gz ZQNYMIGCUVHTEG-HNNXBMFYSA-N 0 0 452.190 4.697 20 0 JJADRN COc1ccc(-c2noc(CCCC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC001462165817 1068020334 /nfs/dbraw/zinc/02/03/34/1068020334.db2.gz GVXCPKCRCIDCDY-KNQAVFIVSA-N 0 0 459.905 4.507 20 0 JJADRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC001462167058 1068020759 /nfs/dbraw/zinc/02/07/59/1068020759.db2.gz OLADYXGYBVCVNL-SFHVURJKSA-N 0 0 453.951 4.519 20 0 JJADRN CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3N)cc2)CC1 ZINC001462168819 1068021123 /nfs/dbraw/zinc/02/11/23/1068021123.db2.gz ZUYBTAXHMADAET-UHFFFAOYSA-N 0 0 450.366 4.603 20 0 JJADRN CCC1(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CCCC1 ZINC001546129842 1068021623 /nfs/dbraw/zinc/02/16/23/1068021623.db2.gz WGLAODZALJJJBE-UHFFFAOYSA-N 0 0 483.657 4.627 20 0 JJADRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001546129864 1068021741 /nfs/dbraw/zinc/02/17/41/1068021741.db2.gz WRWOGBDHFMPUKB-UHFFFAOYSA-N 0 0 474.325 4.574 20 0 JJADRN C[C@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001462179973 1068022940 /nfs/dbraw/zinc/02/29/40/1068022940.db2.gz AXXNGCVBKIFURS-LRDDRELGSA-N 0 0 454.436 4.786 20 0 JJADRN C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001462178871 1068022954 /nfs/dbraw/zinc/02/29/54/1068022954.db2.gz GAYUELNPAITMEE-WOJBJXKFSA-N 0 0 457.590 4.688 20 0 JJADRN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cc(Br)cnc1Br ZINC001462184252 1068024879 /nfs/dbraw/zinc/02/48/79/1068024879.db2.gz FDWKKJADZLFBGP-UHFFFAOYSA-N 0 0 452.024 4.604 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001462188935 1068025327 /nfs/dbraw/zinc/02/53/27/1068025327.db2.gz DMZCVKOMWQQXPL-QGZVFWFLSA-N 0 0 457.290 4.581 20 0 JJADRN COC(=O)c1c(OC)nsc1CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC001462189849 1068025593 /nfs/dbraw/zinc/02/55/93/1068025593.db2.gz QIZYCMDLVORBIM-UHFFFAOYSA-N 0 0 452.363 4.843 20 0 JJADRN Cc1ccc(C(=O)Nc2[nH]nc3cnc(Br)cc32)cc1NC(=O)c1ccccc1 ZINC001462195657 1068026901 /nfs/dbraw/zinc/02/69/01/1068026901.db2.gz CJTMLVDEPHVKEL-UHFFFAOYSA-N 0 0 450.296 4.533 20 0 JJADRN COc1cc(-c2cc(C(=O)NCC[C@H]3CCSC3)c3ccccc3n2)cc(OC)c1OC ZINC001462198138 1068027494 /nfs/dbraw/zinc/02/74/94/1068027494.db2.gz YBSDMQCEEFIZLC-INIZCTEOSA-N 0 0 452.576 4.801 20 0 JJADRN O=C(c1ccc(Oc2ccccc2Cl)nc1)N(CCN1CCOCC1)c1ccccc1F ZINC001462200271 1068027888 /nfs/dbraw/zinc/02/78/88/1068027888.db2.gz DLOOPGNNBIQYFF-UHFFFAOYSA-N 0 0 455.917 4.645 20 0 JJADRN Cc1c(C(=O)OCc2cc(F)c(Br)cc2F)nnn1-c1ccc2ncccc2c1 ZINC001462200219 1068028133 /nfs/dbraw/zinc/02/81/33/1068028133.db2.gz CUNNYFNBTQMSKN-UHFFFAOYSA-N 0 0 459.250 4.522 20 0 JJADRN O=C(OCc1cc(F)c(Br)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001462204198 1068028596 /nfs/dbraw/zinc/02/85/96/1068028596.db2.gz QLKJIPKURDLEOV-UHFFFAOYSA-N 0 0 459.308 4.801 20 0 JJADRN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001462219738 1068031185 /nfs/dbraw/zinc/03/11/85/1068031185.db2.gz LICCTDUACMRGKM-RTBURBONSA-N 0 0 451.510 4.761 20 0 JJADRN COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)c1C ZINC001462222334 1068031615 /nfs/dbraw/zinc/03/16/15/1068031615.db2.gz RKYYRVQFKIQQEY-QFIPXVFZSA-N 0 0 452.473 4.605 20 0 JJADRN COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)c1C ZINC001462222327 1068031831 /nfs/dbraw/zinc/03/18/31/1068031831.db2.gz RKYYRVQFKIQQEY-JOCHJYFZSA-N 0 0 452.473 4.605 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1c(Cl)cccc1OC(F)F)c1ccccc1 ZINC001462230053 1068033949 /nfs/dbraw/zinc/03/39/49/1068033949.db2.gz RMSSJMQZFZXRGI-OAHLLOKOSA-N 0 0 454.901 4.866 20 0 JJADRN CCCc1c(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1C ZINC001462232587 1068034364 /nfs/dbraw/zinc/03/43/64/1068034364.db2.gz TXIMYTPDHDDUJV-LJQANCHMSA-N 0 0 454.615 4.899 20 0 JJADRN C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462238353 1068035199 /nfs/dbraw/zinc/03/51/99/1068035199.db2.gz JOAVAXMYRPMOHS-SFHVURJKSA-N 0 0 451.567 4.704 20 0 JJADRN COc1ccccc1Oc1ccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC001462236633 1068035465 /nfs/dbraw/zinc/03/54/65/1068035465.db2.gz DZACLNWTUQMVIW-KRWDZBQOSA-N 0 0 455.555 4.648 20 0 JJADRN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001462242486 1068036541 /nfs/dbraw/zinc/03/65/41/1068036541.db2.gz WVIZLUINYBDLLV-DOTOQJQBSA-N 0 0 462.497 4.880 20 0 JJADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)cc1 ZINC001462242659 1068036665 /nfs/dbraw/zinc/03/66/65/1068036665.db2.gz SUSCRUREPKAWCM-FQEVSTJZSA-N 0 0 454.571 4.610 20 0 JJADRN C[C@H](CNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001462251780 1068038508 /nfs/dbraw/zinc/03/85/08/1068038508.db2.gz BEDYRAJNHKFWEY-QGZVFWFLSA-N 0 0 457.979 4.856 20 0 JJADRN O=C(c1cnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCc2cccc(Br)c21 ZINC001462259880 1068039931 /nfs/dbraw/zinc/03/99/31/1068039931.db2.gz IULGCNUIXFKOFC-UHFFFAOYSA-N 0 0 454.221 4.996 20 0 JJADRN COC(=O)c1cccc(NC(=O)C[C@@H](C)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c1 ZINC001462262472 1068040836 /nfs/dbraw/zinc/04/08/36/1068040836.db2.gz VSSAQJQZGDEEJK-QGZVFWFLSA-N 0 0 455.555 4.669 20 0 JJADRN [O-]c1c(Br)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1Br ZINC001462275524 1068042581 /nfs/dbraw/zinc/04/25/81/1068042581.db2.gz UYQVPQKPVGNNEJ-SFHVURJKSA-N 0 0 455.190 4.911 20 0 JJADRN O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001462282757 1068043572 /nfs/dbraw/zinc/04/35/72/1068043572.db2.gz WFEMWRQDUYRIBW-CXAGYDPISA-N 0 0 455.395 4.504 20 0 JJADRN CCCc1c(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cnn1-c1cccc(F)c1 ZINC001546130579 1068043859 /nfs/dbraw/zinc/04/38/59/1068043859.db2.gz VMTQPDZWJNOUHM-UHFFFAOYSA-N 0 0 451.498 4.727 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)/C=C/c1nc2ccccc2s1 ZINC001462287767 1068044055 /nfs/dbraw/zinc/04/40/55/1068044055.db2.gz JDASRIFJXVNPOG-FVNWOWOISA-N 0 0 451.367 4.506 20 0 JJADRN COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)CCCc1ccc(SC)cc1 ZINC001462289694 1068044479 /nfs/dbraw/zinc/04/44/79/1068044479.db2.gz BVPCOWJEKNSYCN-GOSISDBHSA-N 0 0 456.427 4.928 20 0 JJADRN CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3sc(N(C)C)nc3Cl)c2)c1 ZINC001462290424 1068044514 /nfs/dbraw/zinc/04/45/14/1068044514.db2.gz AXTPWRYOZQMWMZ-UHFFFAOYSA-N 0 0 458.971 4.904 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1oc2ccc(OC)cc2c1C ZINC001462288041 1068044528 /nfs/dbraw/zinc/04/45/28/1068044528.db2.gz MKNIOFNHZSFGTC-INIZCTEOSA-N 0 0 452.326 4.560 20 0 JJADRN CCCCN(C)c1ccc(C(=O)N(C)[C@H](C(=O)OC)c2ccc(Br)s2)cc1 ZINC001462299504 1068046811 /nfs/dbraw/zinc/04/68/11/1068046811.db2.gz SESZADWHWCLQBV-SFHVURJKSA-N 0 0 453.402 4.733 20 0 JJADRN COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001462299737 1068047059 /nfs/dbraw/zinc/04/70/59/1068047059.db2.gz SJQQUNKFFYYJNC-ZDUSSCGKSA-N 0 0 454.239 4.655 20 0 JJADRN COC(=O)c1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccccc32)n2c1CCCC2 ZINC001462306827 1068047669 /nfs/dbraw/zinc/04/76/69/1068047669.db2.gz PSCOYOJSGQOWOD-GOSISDBHSA-N 0 0 453.583 4.757 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001462307609 1068047708 /nfs/dbraw/zinc/04/77/08/1068047708.db2.gz OYGLFTYKLYORLP-HOCLYGCPSA-N 0 0 454.436 4.507 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(C(=O)c2ncoc2-c2ccc(F)cc2)C1 ZINC001462309675 1068048321 /nfs/dbraw/zinc/04/83/21/1068048321.db2.gz NQOSERIQFNXCIG-INIZCTEOSA-N 0 0 451.498 4.825 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(C(=O)c2ncoc2-c2ccc(F)cc2)C1 ZINC001462309681 1068048335 /nfs/dbraw/zinc/04/83/35/1068048335.db2.gz NQOSERIQFNXCIG-MRXNPFEDSA-N 0 0 451.498 4.825 20 0 JJADRN COc1ccccc1-c1ccnc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)n1 ZINC001462311713 1068049122 /nfs/dbraw/zinc/04/91/22/1068049122.db2.gz BDUCEAIUYPPJAB-HSZRJFAPSA-N 0 0 457.452 4.759 20 0 JJADRN Cn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)c(C2CCCCC2)n1 ZINC001462311881 1068049207 /nfs/dbraw/zinc/04/92/07/1068049207.db2.gz UHTDDCZKXGFFMY-SFHVURJKSA-N 0 0 452.599 4.812 20 0 JJADRN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](Cc1ccccc1)C(=O)N(CC)CC ZINC001462315355 1068049839 /nfs/dbraw/zinc/04/98/39/1068049839.db2.gz JHFWTPIODHJVCC-HXUWFJFHSA-N 0 0 453.970 4.767 20 0 JJADRN Ic1cc(I)cc(N[C@H]2CC[C@@H]3CCC[C@@H]32)c1 ZINC001462316422 1068050092 /nfs/dbraw/zinc/05/00/92/1068050092.db2.gz QFWPUCRSCXIUHS-HERUPUMHSA-N 0 0 453.105 4.886 20 0 JJADRN COC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)nc1SC)c1cccc(Br)c1 ZINC001462322113 1068050751 /nfs/dbraw/zinc/05/07/51/1068050751.db2.gz IVWQSXFTMQOEJB-OAHLLOKOSA-N 0 0 452.418 4.684 20 0 JJADRN Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(F)cc4Br)c3)[nH]c2n1 ZINC001462325491 1068051531 /nfs/dbraw/zinc/05/15/31/1068051531.db2.gz IWBYXYYKHXVECH-UHFFFAOYSA-N 0 0 455.287 4.852 20 0 JJADRN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001462323323 1068051611 /nfs/dbraw/zinc/05/16/11/1068051611.db2.gz HWJPQWPMGJQTGK-MSOLQXFVSA-N 0 0 456.955 4.543 20 0 JJADRN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nnc([C@H]4CCCO4)s3)c2)cc1 ZINC001462326969 1068051766 /nfs/dbraw/zinc/05/17/66/1068051766.db2.gz RXFCCTXPINEYGJ-OAQYLSRUSA-N 0 0 451.548 4.743 20 0 JJADRN CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](COC)c2cccc(Br)c2)c1 ZINC001462326085 1068051928 /nfs/dbraw/zinc/05/19/28/1068051928.db2.gz ZFDMKSVFGXRSEO-QGZVFWFLSA-N 0 0 455.736 4.788 20 0 JJADRN COC(=O)c1cc(OC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)ccc1N(C)C ZINC001462329055 1068052307 /nfs/dbraw/zinc/05/23/07/1068052307.db2.gz APKGWROBMZYHLP-UHFFFAOYSA-N 0 0 459.477 4.750 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC001462330421 1068052658 /nfs/dbraw/zinc/05/26/58/1068052658.db2.gz VRAXMSWEIMJRBC-XWTMOSNGSA-N 0 0 454.489 4.689 20 0 JJADRN COC(=O)c1ccccc1-c1ccc(CNc2ccc(C(=O)N3CCSCC3)cc2C)o1 ZINC001462332682 1068053009 /nfs/dbraw/zinc/05/30/09/1068053009.db2.gz NMGSCMPAIWVLCV-UHFFFAOYSA-N 0 0 450.560 4.843 20 0 JJADRN Cc1cccc(NC(=O)CSCC(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)c1 ZINC001462333164 1068053108 /nfs/dbraw/zinc/05/31/08/1068053108.db2.gz OQNJUSVKNPHFRN-DEOSSOPVSA-N 0 0 450.608 4.981 20 0 JJADRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)c1cccc(N=S(C)(C)=O)c1 ZINC001462335283 1068053545 /nfs/dbraw/zinc/05/35/45/1068053545.db2.gz YEZTYMIZPSKHPN-UHFFFAOYSA-N 0 0 453.358 4.546 20 0 JJADRN O=C1C[C@@]2(CCN(Cc3cc(Br)sc3Br)C2)Oc2ccccc21 ZINC001462338848 1068053956 /nfs/dbraw/zinc/05/39/56/1068053956.db2.gz QWBYVBLQKVLRPM-QGZVFWFLSA-N 0 0 457.187 4.883 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(Br)c(Br)c2)nc1 ZINC001462337853 1068053844 /nfs/dbraw/zinc/05/38/44/1068053844.db2.gz DJQREJZQTAVCJY-UHFFFAOYSA-N 0 0 456.134 4.814 20 0 JJADRN Cc1cc(Br)c(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1Br ZINC001462337492 1068054165 /nfs/dbraw/zinc/05/41/65/1068054165.db2.gz MJGOJMHPCNTECE-SUMWQHHRSA-N 0 0 474.237 4.961 20 0 JJADRN CCc1nc2ccc(C(=O)N3CCC[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)cc2nc1CC ZINC001462342640 1068055186 /nfs/dbraw/zinc/05/51/86/1068055186.db2.gz DMLZDVGGRRBZIR-WZONZLPQSA-N 0 0 452.599 4.616 20 0 JJADRN CC[C@@H](C)Oc1cccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c2cccc3OC)n1 ZINC001462341877 1068055252 /nfs/dbraw/zinc/05/52/52/1068055252.db2.gz QGDRGZKNYDCLRG-PUAOIOHZSA-N 0 0 455.555 4.572 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)C1 ZINC001462343470 1068055552 /nfs/dbraw/zinc/05/55/52/1068055552.db2.gz IFGLFQCVIQKBOH-FXAWDEMLSA-N 0 0 457.546 4.661 20 0 JJADRN Cc1cc([C@H](CC(=O)Nc2ccc(N(C)C)c(F)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462344859 1068055985 /nfs/dbraw/zinc/05/59/85/1068055985.db2.gz JHUMFEUIMRRCII-KRWDZBQOSA-N 0 0 450.942 4.843 20 0 JJADRN O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001462357863 1068058619 /nfs/dbraw/zinc/05/86/19/1068058619.db2.gz YRRYHDKDOBJTNU-MJGOQNOKSA-N 0 0 450.848 4.590 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1cccc(C)c1 ZINC001462360566 1068059121 /nfs/dbraw/zinc/05/91/21/1068059121.db2.gz BMQVTAISVRVAAL-MRXNPFEDSA-N 0 0 455.146 4.554 20 0 JJADRN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CCOCC1 ZINC001546131093 1068059808 /nfs/dbraw/zinc/05/98/08/1068059808.db2.gz OMEQRZQBGGDSNQ-HOTGVXAUSA-N 0 0 483.476 4.837 20 0 JJADRN COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001462363366 1068060140 /nfs/dbraw/zinc/06/01/40/1068060140.db2.gz JHRAYYMLTZEBQY-OAQYLSRUSA-N 0 0 452.551 4.717 20 0 JJADRN COC(=O)C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)c1cccc(C)c1 ZINC001462365002 1068060539 /nfs/dbraw/zinc/06/05/39/1068060539.db2.gz NDAVNXAYMRBORQ-JWQCQUIFSA-N 0 0 458.558 4.585 20 0 JJADRN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N1CCc3c1cccc3Br)CCO2 ZINC001462366819 1068061007 /nfs/dbraw/zinc/06/10/07/1068061007.db2.gz MYMIECAKGUXUEY-INIZCTEOSA-N 0 0 451.405 4.760 20 0 JJADRN COc1ccc(N(C(C)=O)c2nc(CNCC[C@H]3CSc4ccccc4O3)cs2)cc1 ZINC001462371058 1068061404 /nfs/dbraw/zinc/06/14/04/1068061404.db2.gz YTEMQVUZJDHRNT-FQEVSTJZSA-N 0 0 455.605 4.869 20 0 JJADRN COCCC1(NC(=O)c2oc3ccc(Cl)cc3c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462370387 1068061529 /nfs/dbraw/zinc/06/15/29/1068061529.db2.gz GDWHIANSCSDMLV-UHFFFAOYSA-N 0 0 450.963 4.931 20 0 JJADRN COC(=O)c1cc(C2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CC2)no1 ZINC001462373828 1068061972 /nfs/dbraw/zinc/06/19/72/1068061972.db2.gz FJHCURXVOUEMAA-UHFFFAOYSA-N 0 0 454.910 4.713 20 0 JJADRN COCCC1(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462372563 1068062072 /nfs/dbraw/zinc/06/20/72/1068062072.db2.gz LPCACSFVJWALPQ-DHIUTWEWSA-N 0 0 452.595 4.866 20 0 JJADRN Cc1ccccc1-n1cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)cn1 ZINC001462378499 1068063059 /nfs/dbraw/zinc/06/30/59/1068063059.db2.gz BHJXDWASHGWRLB-ICSRJNTNSA-N 0 0 452.521 4.848 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)CC1 ZINC001462388981 1068064219 /nfs/dbraw/zinc/06/42/19/1068064219.db2.gz ONZZYGPKASCQSS-GOSISDBHSA-N 0 0 454.567 4.829 20 0 JJADRN COc1ccccc1[C@H]1CCCN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001462387997 1068064257 /nfs/dbraw/zinc/06/42/57/1068064257.db2.gz MKVOFGODOMYQJV-MBSDFSHPSA-N 0 0 454.567 4.919 20 0 JJADRN COc1ccccc1[C@@H]1CCCN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001462387991 1068064354 /nfs/dbraw/zinc/06/43/54/1068064354.db2.gz MKVOFGODOMYQJV-JPYJTQIMSA-N 0 0 454.567 4.919 20 0 JJADRN COC(=O)[C@H]1CN(Cc2c(Cl)n(Cc3ccccc3)nc2C(C)C)c2ccc(F)cc2O1 ZINC001462389995 1068064681 /nfs/dbraw/zinc/06/46/81/1068064681.db2.gz GFURWZMGAJTIEJ-OAQYLSRUSA-N 0 0 457.933 4.788 20 0 JJADRN O=C(NCc1ccccc1F)c1ccc(NCc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC001462390379 1068064831 /nfs/dbraw/zinc/06/48/31/1068064831.db2.gz ISDLFIVYBDHDKR-UHFFFAOYSA-N 0 0 453.880 4.741 20 0 JJADRN CCOC(=O)/C=C\c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 ZINC001462391965 1068064862 /nfs/dbraw/zinc/06/48/62/1068064862.db2.gz AFFZHZSRGLJEID-JYRVWZFOSA-N 0 0 453.901 4.982 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1C(=O)c1ccccc1 ZINC001462394847 1068065117 /nfs/dbraw/zinc/06/51/17/1068065117.db2.gz JEKDTTSGHBVNJJ-FPOVZHCZSA-N 0 0 452.551 4.948 20 0 JJADRN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1C(=O)c1ccccc1 ZINC001462396714 1068065633 /nfs/dbraw/zinc/06/56/33/1068065633.db2.gz OHGNUWXDNBLXTK-HSZRJFAPSA-N 0 0 458.514 4.666 20 0 JJADRN COc1ccc(Cl)c(N2CCN(Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC2)c1 ZINC001462401230 1068065980 /nfs/dbraw/zinc/06/59/80/1068065980.db2.gz JFGGGEVBFBYIKW-UHFFFAOYSA-N 0 0 452.773 4.558 20 0 JJADRN CCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1C(C)C ZINC001462399076 1068066014 /nfs/dbraw/zinc/06/60/14/1068066014.db2.gz AROLMVYWFPQORF-IBGZPJMESA-N 0 0 450.535 4.626 20 0 JJADRN O=C(NCc1noc2cc(F)ccc12)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001462400164 1068066289 /nfs/dbraw/zinc/06/62/89/1068066289.db2.gz XESWTJFUBFMLGR-UHFFFAOYSA-N 0 0 452.795 4.814 20 0 JJADRN CCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1C(C)C ZINC001462399084 1068066344 /nfs/dbraw/zinc/06/63/44/1068066344.db2.gz AROLMVYWFPQORF-LJQANCHMSA-N 0 0 450.535 4.626 20 0 JJADRN COc1cc(CN2CCN(c3ccc(Br)cc3)CC2)c(F)cc1Br ZINC001462408467 1068067487 /nfs/dbraw/zinc/06/74/87/1068067487.db2.gz ANUQCOIXTFQSOO-UHFFFAOYSA-N 0 0 458.169 4.682 20 0 JJADRN CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Br)ccc2C(C)(C)C)CC1 ZINC001462409157 1068067680 /nfs/dbraw/zinc/06/76/80/1068067680.db2.gz DZKQNAPHRBSXNL-UHFFFAOYSA-N 0 0 459.450 4.527 20 0 JJADRN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)C1(C)C ZINC001462410962 1068068522 /nfs/dbraw/zinc/06/85/22/1068068522.db2.gz KURCNKNQYDZDDJ-KKSFZXQISA-N 0 0 453.514 4.643 20 0 JJADRN Cc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1Br ZINC001462411589 1068068815 /nfs/dbraw/zinc/06/88/15/1068068815.db2.gz HMUZZRWHQYMRDN-UHFFFAOYSA-N 0 0 452.370 4.541 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)cc1Oc1ccncc1 ZINC001462416894 1068070340 /nfs/dbraw/zinc/07/03/40/1068070340.db2.gz DOTCBQSWWYQAKT-UHFFFAOYSA-N 0 0 454.280 4.528 20 0 JJADRN CCOC(=O)[C@@]1(F)CN(Cc2c(F)ccc(C(F)(F)F)c2Br)CC12CCC2 ZINC001462421093 1068071022 /nfs/dbraw/zinc/07/10/22/1068071022.db2.gz PFTSRKVTEKCOID-KRWDZBQOSA-N 0 0 456.249 4.864 20 0 JJADRN COC(=O)[C@H](NC1CC(c2ccc(Br)cc2)C1)c1ccccc1Br ZINC001462427172 1068072204 /nfs/dbraw/zinc/07/22/04/1068072204.db2.gz MYPIGZZLUTYFTB-LEHRNKBSSA-N 0 0 453.174 4.962 20 0 JJADRN C[C@@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1c(Cl)cccc1Cl ZINC001462429077 1068072600 /nfs/dbraw/zinc/07/26/00/1068072600.db2.gz UWQNZGAZNFAGMT-QLJPJBMISA-N 0 0 456.167 4.929 20 0 JJADRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001462430969 1068073035 /nfs/dbraw/zinc/07/30/35/1068073035.db2.gz YPXHTAUDMMYQTD-IRFCIJBXSA-N 0 0 452.448 4.766 20 0 JJADRN CCn1c(SCC(=O)N[C@@H]2CCC[C@]23CCCO3)nnc1-c1ccc(Cl)cc1Cl ZINC001462433548 1068073660 /nfs/dbraw/zinc/07/36/60/1068073660.db2.gz LNJDSXNNNZUPEF-UZLBHIALSA-N 0 0 455.411 4.582 20 0 JJADRN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001462435344 1068073727 /nfs/dbraw/zinc/07/37/27/1068073727.db2.gz CHTKNGWKMAAGFY-OAHLLOKOSA-N 0 0 451.336 4.912 20 0 JJADRN Cc1c(C(=O)N(CCc2ccccc2)CCC(C)(C)C)nnn1CCOc1ccc(F)cc1 ZINC001462436565 1068074206 /nfs/dbraw/zinc/07/42/06/1068074206.db2.gz GXBDQRDTIQWUST-UHFFFAOYSA-N 0 0 452.574 4.926 20 0 JJADRN C[C@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccc(Cl)c(Cl)c1 ZINC001462438693 1068074473 /nfs/dbraw/zinc/07/44/73/1068074473.db2.gz HHCRMDDOGJBNMA-LBPRGKRZSA-N 0 0 451.304 4.600 20 0 JJADRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccncc3-c3ccccc3)[nH]c(=O)c2c1C ZINC001462439671 1068074567 /nfs/dbraw/zinc/07/45/67/1068074567.db2.gz PFYCRFGBZCCICV-OAHLLOKOSA-N 0 0 450.589 4.758 20 0 JJADRN CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC001462443583 1068075366 /nfs/dbraw/zinc/07/53/66/1068075366.db2.gz HSOVCOKCQGLFEB-UHFFFAOYSA-N 0 0 453.262 4.686 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001462443000 1068075386 /nfs/dbraw/zinc/07/53/86/1068075386.db2.gz QFYYGIADMAHQGV-QAPCUYQASA-N 0 0 450.457 4.522 20 0 JJADRN CC[C@@H](Sc1nc(CC(=O)O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cs1)C(N)=O ZINC001462444755 1068075562 /nfs/dbraw/zinc/07/55/62/1068075562.db2.gz UQHMHEPLDLFEEC-TZMCWYRMSA-N 0 0 452.907 4.542 20 0 JJADRN Cc1cc(OCCCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)ccc1Cl ZINC001462443750 1068075938 /nfs/dbraw/zinc/07/59/38/1068075938.db2.gz OHDUAMWPEYIKIA-HFZDXXHNSA-N 0 0 457.014 4.699 20 0 JJADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](c4ccccc4Cl)C3(C)C)C2=O)c1 ZINC001462453801 1068077873 /nfs/dbraw/zinc/07/78/73/1068077873.db2.gz QFWUIBIBXQPAKC-PZJWPPBQSA-N 0 0 453.970 4.648 20 0 JJADRN CCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001462453088 1068077977 /nfs/dbraw/zinc/07/79/77/1068077977.db2.gz TYBUQFAPAGZMPR-LJQANCHMSA-N 0 0 450.963 4.931 20 0 JJADRN COc1ccc(C2CC2)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC001462454817 1068078247 /nfs/dbraw/zinc/07/82/47/1068078247.db2.gz UGTTZXBIDRATDG-UHFFFAOYSA-N 0 0 456.608 4.537 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CC[C@@H](c3nccs3)C2)CC1 ZINC001462463123 1068080117 /nfs/dbraw/zinc/08/01/17/1068080117.db2.gz NJBCCSCDVMRJDS-HXUWFJFHSA-N 0 0 455.624 4.962 20 0 JJADRN CC(C)(NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC001462467664 1068080252 /nfs/dbraw/zinc/08/02/52/1068080252.db2.gz SCOXVDPMIXGQIJ-UHFFFAOYSA-N 0 0 457.290 4.639 20 0 JJADRN COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001462469462 1068080945 /nfs/dbraw/zinc/08/09/45/1068080945.db2.gz MQZIYRSGRSNBPS-UHFFFAOYSA-N 0 0 455.324 4.541 20 0 JJADRN COC(=O)c1cc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)n(C)c1C ZINC001462476446 1068081769 /nfs/dbraw/zinc/08/17/69/1068081769.db2.gz ZYJWWGBQDWOUMO-UHFFFAOYSA-N 0 0 453.951 4.980 20 0 JJADRN CC1(C)CC[C@H](CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)OC1 ZINC001462478002 1068081786 /nfs/dbraw/zinc/08/17/86/1068081786.db2.gz SIOPFCMGKAIXDG-MRXNPFEDSA-N 0 0 454.368 4.994 20 0 JJADRN COc1cccc(COc2ccc(CN3CC(O)(c4cccc(Br)c4)C3)cc2)c1 ZINC001462480162 1068082542 /nfs/dbraw/zinc/08/25/42/1068082542.db2.gz QWDYJWLFAWJYNY-UHFFFAOYSA-N 0 0 454.364 4.740 20 0 JJADRN COC(=O)c1ccc(COc2ccccc2CN=[S@@](C)(=O)c2ccc(N(C)C)cc2)cc1 ZINC001462486801 1068083306 /nfs/dbraw/zinc/08/33/06/1068083306.db2.gz PLZRAOWPFQXOLT-YTTGMZPUSA-N 0 0 452.576 4.775 20 0 JJADRN COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)C[C@H]1c1ccc(O)cc1 ZINC001462484906 1068083403 /nfs/dbraw/zinc/08/34/03/1068083403.db2.gz XJJOIQCQDMWJGM-DLBZAZTESA-N 0 0 458.274 4.562 20 0 JJADRN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccnc(-c2ccccn2)n1 ZINC001462488895 1068083827 /nfs/dbraw/zinc/08/38/27/1068083827.db2.gz RNCQJTMHASZTMO-UHFFFAOYSA-N 0 0 455.465 4.540 20 0 JJADRN CC(C)(C)c1ccc(I)c(OC(=O)c2cc3nccnc3cc2F)c1 ZINC001462488605 1068083927 /nfs/dbraw/zinc/08/39/27/1068083927.db2.gz CGBKXXXSGYTKHR-UHFFFAOYSA-N 0 0 450.251 4.890 20 0 JJADRN CCOC(=O)c1sc(CC2CCN(C(=O)CCCc3c(F)cccc3F)CC2)nc1C ZINC001462496182 1068085136 /nfs/dbraw/zinc/08/51/36/1068085136.db2.gz LRXLMYVBDUTILU-UHFFFAOYSA-N 0 0 450.551 4.710 20 0 JJADRN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001462495724 1068085220 /nfs/dbraw/zinc/08/52/20/1068085220.db2.gz MRICZWQETCFFIC-WIYYLYMNSA-N 0 0 454.286 4.794 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)CSc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC001462495643 1068085233 /nfs/dbraw/zinc/08/52/33/1068085233.db2.gz IRUUOVKHTUYQNI-MRXNPFEDSA-N 0 0 457.434 4.789 20 0 JJADRN CNC(=O)N(C)c1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 ZINC001462497155 1068085764 /nfs/dbraw/zinc/08/57/64/1068085764.db2.gz CFSBWIQSZPPZCQ-UHFFFAOYSA-N 0 0 454.577 4.507 20 0 JJADRN Cc1ccc(Oc2ccc(Cl)cc2CNC(=O)CCCNC(=O)c2cccnc2)cc1C ZINC001462500349 1068086245 /nfs/dbraw/zinc/08/62/45/1068086245.db2.gz BOQQLUNDLPAZPU-UHFFFAOYSA-N 0 0 451.954 4.971 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001462499757 1068086259 /nfs/dbraw/zinc/08/62/59/1068086259.db2.gz HSQWQCJLIYBQPY-KRWDZBQOSA-N 0 0 450.004 4.907 20 0 JJADRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC001462499390 1068086390 /nfs/dbraw/zinc/08/63/90/1068086390.db2.gz DRVDGGYCRZQTOX-WMZOPIPTSA-N 0 0 457.398 4.790 20 0 JJADRN CN(C[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1Cl)C(=O)OC(C)(C)C ZINC001462501424 1068086753 /nfs/dbraw/zinc/08/67/53/1068086753.db2.gz PJEZOVDEEOPEID-MRXNPFEDSA-N 0 0 459.812 4.893 20 0 JJADRN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001462500730 1068086795 /nfs/dbraw/zinc/08/67/95/1068086795.db2.gz OAQRTHLYYJQCSJ-RTBURBONSA-N 0 0 455.640 4.564 20 0 JJADRN CO[C@](C)(C(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)C(=O)OC(C)(C)C ZINC001462503873 1068087274 /nfs/dbraw/zinc/08/72/74/1068087274.db2.gz KMFMCTGDPZDNTP-HSZRJFAPSA-N 0 0 451.922 4.943 20 0 JJADRN CCOC(=O)c1csc(CC2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)n1 ZINC001462504533 1068087315 /nfs/dbraw/zinc/08/73/15/1068087315.db2.gz LRTKSMGNOIGQQC-UHFFFAOYSA-N 0 0 451.548 4.602 20 0 JJADRN C[C@@H](CC(=O)NCc1ccc2ccc(Br)cc2c1)n1cc(Br)cn1 ZINC001462509012 1068087613 /nfs/dbraw/zinc/08/76/13/1068087613.db2.gz ADKQHVRRDYANSZ-LBPRGKRZSA-N 0 0 451.162 4.829 20 0 JJADRN COc1cc2c(cc1OC)C(C)(C)N(C(=O)Cc1ccc(Br)cc1Cl)CC2 ZINC001462511170 1068088026 /nfs/dbraw/zinc/08/80/26/1068088026.db2.gz ZKXZMXADQSOPQC-UHFFFAOYSA-N 0 0 452.776 4.982 20 0 JJADRN O=C(NCc1ccc2ccc(Br)cc2c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001462510050 1068088242 /nfs/dbraw/zinc/08/82/42/1068088242.db2.gz MMHNHYPLRCPBPB-KRWDZBQOSA-N 0 0 457.755 4.925 20 0 JJADRN Cc1nc(COc2ccccc2C(=O)NCc2ccc3ccc(Br)cc3c2)no1 ZINC001462511685 1068088350 /nfs/dbraw/zinc/08/83/50/1068088350.db2.gz SHANKKGEWCTWDP-UHFFFAOYSA-N 0 0 452.308 4.803 20 0 JJADRN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)/C=C\SCc2ccco2)c1 ZINC001462519644 1068090315 /nfs/dbraw/zinc/09/03/15/1068090315.db2.gz ZRWWLWBKNXHWDY-NJAMNNSSSA-N 0 0 458.580 4.856 20 0 JJADRN O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001462522254 1068090849 /nfs/dbraw/zinc/09/08/49/1068090849.db2.gz AWONPQPCWGWSRJ-RCCFBDPRSA-N 0 0 454.901 4.546 20 0 JJADRN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC001462524811 1068091363 /nfs/dbraw/zinc/09/13/63/1068091363.db2.gz ATHOUORJVGJMPP-NSHDSACASA-N 0 0 452.736 4.571 20 0 JJADRN COc1cccc2c1OCCC[C@@H]2NC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C ZINC001462526699 1068091907 /nfs/dbraw/zinc/09/19/07/1068091907.db2.gz DMQLOJKEKBTOOA-LEWJYISDSA-N 0 0 452.551 4.907 20 0 JJADRN COc1ccc(C2CC2)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001462531331 1068092567 /nfs/dbraw/zinc/09/25/67/1068092567.db2.gz IVHDPGUWWSQMTI-DVECYGJZSA-N 0 0 458.961 4.980 20 0 JJADRN CC(=O)c1c(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1C ZINC001462530197 1068092637 /nfs/dbraw/zinc/09/26/37/1068092637.db2.gz MKRVBPVKHHUDLJ-UHFFFAOYSA-N 0 0 450.560 4.892 20 0 JJADRN CC(C)[C@@H](C(=O)NCc1cc2cc(Br)ccc2o1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001462535144 1068093210 /nfs/dbraw/zinc/09/32/10/1068093210.db2.gz NZUFUMRVENUBBK-FZKQIMNGSA-N 0 0 453.377 4.997 20 0 JJADRN CN=[S@@](C)(=O)c1cccc(NCc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 ZINC001462545572 1068095625 /nfs/dbraw/zinc/09/56/25/1068095625.db2.gz ZOUWEUJYVZFQEL-PMERELPUSA-N 0 0 450.536 4.805 20 0 JJADRN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001546132388 1068096596 /nfs/dbraw/zinc/09/65/96/1068096596.db2.gz HEGQXKNIHQCVLD-UHFFFAOYSA-N 0 0 474.447 4.511 20 0 JJADRN Cc1ccc(C(=O)N2CCc3cc(F)cnc32)cc1NC(=O)c1ccc(Br)cc1 ZINC001462553347 1068097178 /nfs/dbraw/zinc/09/71/78/1068097178.db2.gz HDOBCFYQFMCAQZ-UHFFFAOYSA-N 0 0 454.299 4.747 20 0 JJADRN COc1ccc(OC(C)(C)C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC001462562761 1068098312 /nfs/dbraw/zinc/09/83/12/1068098312.db2.gz FHLZKRZVNDEXJF-GOSISDBHSA-N 0 0 454.567 4.898 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001462560677 1068098642 /nfs/dbraw/zinc/09/86/42/1068098642.db2.gz AKFOGPPJPXIFRT-UHFFFAOYSA-N 0 0 456.061 4.985 20 0 JJADRN CCOC(=O)c1cc(OCC)ccc1NC(=O)c1cc(Br)ccc1OC(F)F ZINC001462564743 1068098986 /nfs/dbraw/zinc/09/89/86/1068098986.db2.gz RWAJEHKZBJJPNT-UHFFFAOYSA-N 0 0 458.255 4.878 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001546132472 1068099234 /nfs/dbraw/zinc/09/92/34/1068099234.db2.gz JZKGLHBZUNHKOG-HNNXBMFYSA-N 0 0 451.434 4.848 20 0 JJADRN COc1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc2c1O[C@H](C)C2 ZINC001462565594 1068099498 /nfs/dbraw/zinc/09/94/98/1068099498.db2.gz KSEIVIDYOBYCHZ-IAGOWNOFSA-N 0 0 452.551 4.677 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001546132493 1068099678 /nfs/dbraw/zinc/09/96/78/1068099678.db2.gz KOVNMDUJYIVMJY-KDOFPFPSSA-N 0 0 451.384 4.898 20 0 JJADRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)Cc1c(C)nn(-c3ccc(Cl)cc3)c1C)CC2 ZINC001462569754 1068100077 /nfs/dbraw/zinc/10/00/77/1068100077.db2.gz HYFVTZAWVDRQJY-INIZCTEOSA-N 0 0 453.970 4.848 20 0 JJADRN Cc1cc(F)c(Br)cc1OC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC001462570294 1068100585 /nfs/dbraw/zinc/10/05/85/1068100585.db2.gz UXFXBCSIBNPFJE-LLVKDONJSA-N 0 0 457.093 4.691 20 0 JJADRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001462570170 1068100648 /nfs/dbraw/zinc/10/06/48/1068100648.db2.gz STJNAQZFHOTRJM-UYAOXDASSA-N 0 0 457.615 4.507 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCc4cc(F)ccc4[C@@H]3C)cc2)cc1 ZINC001462574199 1068101116 /nfs/dbraw/zinc/10/11/16/1068101116.db2.gz ZLYPKDGOQZEHGM-SFHVURJKSA-N 0 0 452.551 4.719 20 0 JJADRN C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(C(F)(F)F)nc1 ZINC001462577924 1068103160 /nfs/dbraw/zinc/10/31/60/1068103160.db2.gz GXFPAZAMQSTKOS-MRVPVSSYSA-N 0 0 454.617 4.849 20 0 JJADRN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC001462578370 1068103181 /nfs/dbraw/zinc/10/31/81/1068103181.db2.gz GSPIQEQGYAWZNW-YLJYHZDGSA-N 0 0 450.297 4.527 20 0 JJADRN Brc1cncc(Br)c1CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001462584637 1068104424 /nfs/dbraw/zinc/10/44/24/1068104424.db2.gz HARUZYHAECKKOY-LLVKDONJSA-N 0 0 457.235 4.931 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N3c4ccc(Br)cc4CCC3(C)C)cn2)C[C@H](C)O1 ZINC001462585988 1068105153 /nfs/dbraw/zinc/10/51/53/1068105153.db2.gz FQZZDTQNWUUEES-IYBDPMFKSA-N 0 0 458.400 4.829 20 0 JJADRN C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(C(F)(F)F)nc1 ZINC001462585997 1068105268 /nfs/dbraw/zinc/10/52/68/1068105268.db2.gz GAHNYELAWBXVND-INIZCTEOSA-N 0 0 451.452 4.898 20 0 JJADRN CN(C(=O)c1cc(Cn2cccn2)on1)[C@@H](c1ccccc1)c1ccccc1Br ZINC001462590983 1068106606 /nfs/dbraw/zinc/10/66/06/1068106606.db2.gz VUCOLAAWBLMMLE-NRFANRHFSA-N 0 0 451.324 4.544 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC001462596092 1068108201 /nfs/dbraw/zinc/10/82/01/1068108201.db2.gz LEEZSZQJSMSZBU-GOSISDBHSA-N 0 0 455.860 4.561 20 0 JJADRN COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1sc2ccc(F)cc2c1C ZINC001462595813 1068108293 /nfs/dbraw/zinc/10/82/93/1068108293.db2.gz KJHGZWNBOWOOTE-INIZCTEOSA-N 0 0 455.429 4.762 20 0 JJADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OC(C)(C)C)c2)cc1 ZINC001462599284 1068108802 /nfs/dbraw/zinc/10/88/02/1068108802.db2.gz KCMZRPXRBSSJLV-UHFFFAOYSA-N 0 0 452.576 4.619 20 0 JJADRN O=C(CCCOc1cccc(Br)c1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462597955 1068108848 /nfs/dbraw/zinc/10/88/48/1068108848.db2.gz OYVKZDMRDIXOSH-UHFFFAOYSA-N 0 0 451.670 4.992 20 0 JJADRN COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(-c2cccs2)s1 ZINC001462601061 1068109352 /nfs/dbraw/zinc/10/93/52/1068109352.db2.gz YYPNQPZZTBSUDD-CQSZACIVSA-N 0 0 455.479 4.889 20 0 JJADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cnc3c(ccc(F)c3F)c2)CC1 ZINC001462608429 1068111448 /nfs/dbraw/zinc/11/14/48/1068111448.db2.gz QGVNNKWJRVYQDQ-UHFFFAOYSA-N 0 0 459.880 4.666 20 0 JJADRN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCCO[C@@H](C)C2)CCOCC1 ZINC001546132817 1068112094 /nfs/dbraw/zinc/11/20/94/1068112094.db2.gz WEJSCSCJVMGMAQ-INIZCTEOSA-N 0 0 481.410 4.669 20 0 JJADRN C[C@@H](NC(=O)[C@@H](C)SCc1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC001462613623 1068112376 /nfs/dbraw/zinc/11/23/76/1068112376.db2.gz YASRVZMZYSMXKF-CHWSQXEVSA-N 0 0 451.470 4.733 20 0 JJADRN CCc1ccc(Br)c(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 ZINC001462616450 1068113085 /nfs/dbraw/zinc/11/30/85/1068113085.db2.gz DODDVIAARZSMDU-QGZVFWFLSA-N 0 0 453.789 4.819 20 0 JJADRN Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)nc(-c2ccc(Cl)cc2)n1 ZINC001462622017 1068114119 /nfs/dbraw/zinc/11/41/19/1068114119.db2.gz CYNANYBHEYRLKD-CYFREDJKSA-N 0 0 456.974 4.767 20 0 JJADRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC001462628765 1068116918 /nfs/dbraw/zinc/11/69/18/1068116918.db2.gz XWNDGBFHKMTCPX-UHFFFAOYSA-N 0 0 455.024 4.959 20 0 JJADRN C[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001462631143 1068118130 /nfs/dbraw/zinc/11/81/30/1068118130.db2.gz UFOJBAKTOIISLX-HUUCEWRRSA-N 0 0 454.402 4.557 20 0 JJADRN C[C@@H]1CN(c2ccc(C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)cn2)C[C@@H](C)O1 ZINC001462632187 1068118222 /nfs/dbraw/zinc/11/82/22/1068118222.db2.gz YNEZTKXGCVJUII-ZIAGYGMSSA-N 0 0 453.892 4.960 20 0 JJADRN Cc1ncc(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c(C2CC2)n1 ZINC001462635812 1068120181 /nfs/dbraw/zinc/12/01/81/1068120181.db2.gz QWORLPKAVNECSE-PGRDOPGGSA-N 0 0 456.631 4.988 20 0 JJADRN CCc1c(C(=O)NCCN(Cc2ccccc2)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC001462637757 1068120849 /nfs/dbraw/zinc/12/08/49/1068120849.db2.gz MCFYITABHKCJLH-UHFFFAOYSA-N 0 0 459.981 4.920 20 0 JJADRN O=C(CCc1cc(F)ccc1Br)NCCN(Cc1ccccc1)c1ccccn1 ZINC001462638480 1068120948 /nfs/dbraw/zinc/12/09/48/1068120948.db2.gz PWCVVAKPYONEPI-UHFFFAOYSA-N 0 0 456.359 4.739 20 0 JJADRN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(Oc3cccc(Cl)c3Cl)nn1)CC2 ZINC001462640741 1068121509 /nfs/dbraw/zinc/12/15/09/1068121509.db2.gz BHDSZBKTQBTBST-UHFFFAOYSA-N 0 0 457.317 4.733 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N(C)C[C@@H]3CN(c4ccccc4)C(=O)O3)cc2)cs1 ZINC001462646265 1068123001 /nfs/dbraw/zinc/12/30/01/1068123001.db2.gz OJFYSVRXWCQMNI-HXUWFJFHSA-N 0 0 453.589 4.841 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)Cn2ccc3ccc(Cl)cc32)(C(F)(F)F)CC1 ZINC001462647578 1068123760 /nfs/dbraw/zinc/12/37/60/1068123760.db2.gz UJSZGWFSFUBHRE-UHFFFAOYSA-N 0 0 459.896 4.743 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)ns2)(C(F)(F)F)CC1 ZINC001462647634 1068123839 /nfs/dbraw/zinc/12/38/39/1068123839.db2.gz UVDSHKOLWUYDNX-UHFFFAOYSA-N 0 0 455.502 4.872 20 0 JJADRN Cc1cccc(Nc2ccccc2C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1C ZINC001462651544 1068124368 /nfs/dbraw/zinc/12/43/68/1068124368.db2.gz BVRYJEUUXOYPPM-AREMUKBSSA-N 0 0 453.583 4.803 20 0 JJADRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001462653121 1068125219 /nfs/dbraw/zinc/12/52/19/1068125219.db2.gz GOSCZFJFCRXRMH-HIFRSBDPSA-N 0 0 450.288 4.776 20 0 JJADRN CCCCN1C(=O)CC[C@H](C(=O)NCCc2cnc3ccccc3c2)[C@H]1c1ccccc1OC ZINC001462659063 1068126415 /nfs/dbraw/zinc/12/64/15/1068126415.db2.gz BDCCYLYXTOWWKZ-WNCULLNHSA-N 0 0 459.590 4.682 20 0 JJADRN Cc1cc([C@@H](CC(=O)NCc2ccc3c(c2)C[C@H](C)O3)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001462658177 1068126434 /nfs/dbraw/zinc/12/64/34/1068126434.db2.gz FCLKGDWGUWGHIJ-HNAYVOBHSA-N 0 0 459.974 4.639 20 0 JJADRN Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC001462660611 1068126500 /nfs/dbraw/zinc/12/65/00/1068126500.db2.gz CYDXXWUOFLYLMS-ZBFHGGJFSA-N 0 0 452.979 4.699 20 0 JJADRN CC(=O)N(c1nc(CN2CC(C(=O)OC(C)(C)C)C2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462664302 1068127246 /nfs/dbraw/zinc/12/72/46/1068127246.db2.gz QDWMLFQPGZOPDV-UHFFFAOYSA-N 0 0 455.502 4.620 20 0 JJADRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)c1cc(Cl)cc(Cl)c1F ZINC001462679762 1068129908 /nfs/dbraw/zinc/12/99/08/1068129908.db2.gz RBTWHYQLNBAEPJ-LSDHHAIUSA-N 0 0 453.341 4.627 20 0 JJADRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC001462681798 1068130586 /nfs/dbraw/zinc/13/05/86/1068130586.db2.gz YNKWAHXMFHWTLC-FXVGLDEISA-N 0 0 455.517 4.670 20 0 JJADRN O=C(CCc1nc2cc(Br)ccc2s1)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001462686361 1068131215 /nfs/dbraw/zinc/13/12/15/1068131215.db2.gz GHXACMBPHHFGRL-BXUZGUMPSA-N 0 0 451.308 4.608 20 0 JJADRN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(Br)sc1Br ZINC001462692502 1068133540 /nfs/dbraw/zinc/13/35/40/1068133540.db2.gz ZKJXZTJRIDGUCF-HTRCEHHLSA-N 0 0 451.102 4.503 20 0 JJADRN Cc1ccc(-c2nc(CNC(=O)c3cc(Br)cnc3Br)co2)cc1 ZINC001462697304 1068134772 /nfs/dbraw/zinc/13/47/72/1068134772.db2.gz CJJAICJRDWFEON-UHFFFAOYSA-N 0 0 451.118 4.500 20 0 JJADRN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)cc1C1CCCCC1 ZINC001462696730 1068134784 /nfs/dbraw/zinc/13/47/84/1068134784.db2.gz PYYBPPOATKWRRT-UHFFFAOYSA-N 0 0 458.363 4.673 20 0 JJADRN COc1cc(Br)c(OC)c(C(=O)NCCc2cccc(Br)c2C)c1 ZINC001462701216 1068135711 /nfs/dbraw/zinc/13/57/11/1068135711.db2.gz WJQGUYDJNLRIGY-UHFFFAOYSA-N 0 0 457.162 4.510 20 0 JJADRN O=S(=O)(NCCc1ccc(Cl)cc1)c1csc(-c2ccc(Br)cc2)n1 ZINC001462701367 1068135808 /nfs/dbraw/zinc/13/58/08/1068135808.db2.gz PMWVKQQSCCPORA-UHFFFAOYSA-N 0 0 457.802 4.747 20 0 JJADRN CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC001462704744 1068137096 /nfs/dbraw/zinc/13/70/96/1068137096.db2.gz BWYKTJCAKSSXFQ-UHFFFAOYSA-N 0 0 458.692 4.760 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCc2cc(Br)c3ccccc3c2)C1 ZINC001462705876 1068137808 /nfs/dbraw/zinc/13/78/08/1068137808.db2.gz NQUQRNLPMJZRRH-SBUREZEXSA-N 0 0 459.384 4.866 20 0 JJADRN Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001462707014 1068137828 /nfs/dbraw/zinc/13/78/28/1068137828.db2.gz IWELBTDAWPAKQL-GFCCVEGCSA-N 0 0 457.440 4.997 20 0 JJADRN COc1cc(Br)cc(S(=O)(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC001462707931 1068138188 /nfs/dbraw/zinc/13/81/88/1068138188.db2.gz LXPGDLMZSRSVPU-MRVPVSSYSA-N 0 0 457.148 4.943 20 0 JJADRN O=C(NCc1noc2ccccc12)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001462707368 1068138222 /nfs/dbraw/zinc/13/82/22/1068138222.db2.gz SNDAFJIEGDUHGI-UHFFFAOYSA-N 0 0 450.292 4.773 20 0 JJADRN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001462712320 1068139463 /nfs/dbraw/zinc/13/94/63/1068139463.db2.gz HVJQBBDHNNSBAM-INIZCTEOSA-N 0 0 459.342 4.985 20 0 JJADRN Cc1nocc1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001462718980 1068141207 /nfs/dbraw/zinc/14/12/07/1068141207.db2.gz RUKSGYPBCAQETH-KRWDZBQOSA-N 0 0 450.347 4.882 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462718240 1068141225 /nfs/dbraw/zinc/14/12/25/1068141225.db2.gz MFYRNRHOSFTUKB-CYBMUJFWSA-N 0 0 450.771 4.888 20 0 JJADRN COC(=O)c1cc(NC(=O)c2c(F)ccc(C)c2Br)c(Cl)cc1NC(C)=O ZINC001462720372 1068141677 /nfs/dbraw/zinc/14/16/77/1068141677.db2.gz HHPRKJKWLGWUPW-UHFFFAOYSA-N 0 0 457.683 4.547 20 0 JJADRN CCCOc1ccc(OS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC001462721369 1068142405 /nfs/dbraw/zinc/14/24/05/1068142405.db2.gz HDBSCIZXWHKVMS-UHFFFAOYSA-N 0 0 455.248 4.904 20 0 JJADRN CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001462722334 1068142439 /nfs/dbraw/zinc/14/24/39/1068142439.db2.gz NHBQTYLDYXNIPE-CJNGLKHVSA-N 0 0 457.379 4.656 20 0 JJADRN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[C@@H]1c1ccccc1 ZINC001462724427 1068143514 /nfs/dbraw/zinc/14/35/14/1068143514.db2.gz RMONYXIGGDPYRI-JTSKRJEESA-N 0 0 455.396 4.911 20 0 JJADRN COc1cc(-c2noc(CCC(=O)N3CC[C@@H](C)[C@@H]3c3ccccc3)n2)cc(Cl)c1OC ZINC001462726276 1068143939 /nfs/dbraw/zinc/14/39/39/1068143939.db2.gz YRGWYYYPXSHXBJ-IVZQSRNASA-N 0 0 455.942 4.950 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Oc1ccc(C2SCCS2)cc1 ZINC001462727320 1068144602 /nfs/dbraw/zinc/14/46/02/1068144602.db2.gz YBDPAYOOGPITAX-UHFFFAOYSA-N 0 0 452.497 4.840 20 0 JJADRN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC001462727636 1068145339 /nfs/dbraw/zinc/14/53/39/1068145339.db2.gz BISOATLQLPACPD-UHFFFAOYSA-N 0 0 452.406 4.593 20 0 JJADRN Cc1cc(OS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC001462729478 1068145910 /nfs/dbraw/zinc/14/59/10/1068145910.db2.gz HWNWMEGXQAAYDL-UHFFFAOYSA-N 0 0 451.393 4.738 20 0 JJADRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001462732797 1068147194 /nfs/dbraw/zinc/14/71/94/1068147194.db2.gz VTJSYKLRRMVPDA-INIZCTEOSA-N 0 0 450.029 4.830 20 0 JJADRN COC(=O)c1cc(C(C)=O)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[nH]1 ZINC001462734359 1068147565 /nfs/dbraw/zinc/14/75/65/1068147565.db2.gz UENIHKNSCKRIFN-UHFFFAOYSA-N 0 0 450.278 4.537 20 0 JJADRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1cc(C(F)(F)F)ccc1Br ZINC001462735764 1068148234 /nfs/dbraw/zinc/14/82/34/1068148234.db2.gz PYRNHWXWKFHACM-CQSZACIVSA-N 0 0 450.295 4.564 20 0 JJADRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001462735882 1068148312 /nfs/dbraw/zinc/14/83/12/1068148312.db2.gz QKRPCUYAXPCGPE-CYBMUJFWSA-N 0 0 455.395 4.700 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001462737001 1068148943 /nfs/dbraw/zinc/14/89/43/1068148943.db2.gz YEWLNEMAJLEHML-IAGOWNOFSA-N 0 0 465.432 4.880 20 0 JJADRN CC(C)Cc1ccc([C@H](NS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462737541 1068149575 /nfs/dbraw/zinc/14/95/75/1068149575.db2.gz CUOKQRJLXNUILU-XMMPIXPASA-N 0 0 458.624 4.523 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N(Cc1cccs1)C[C@H]1CCCO1 ZINC001462739674 1068150206 /nfs/dbraw/zinc/15/02/06/1068150206.db2.gz SFRYNWWIUJYUKT-CYBMUJFWSA-N 0 0 455.907 4.670 20 0 JJADRN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)Cc2ccc(-n3cccn3)cc2)s1 ZINC001462739839 1068150208 /nfs/dbraw/zinc/15/02/08/1068150208.db2.gz SZPMUBWWLDWIME-UHFFFAOYSA-N 0 0 451.617 4.817 20 0 JJADRN CN(C(=O)c1cc(Br)ccc1Cl)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001462741056 1068150517 /nfs/dbraw/zinc/15/05/17/1068150517.db2.gz VYIVGMXFGZEGRS-UHFFFAOYSA-N 0 0 454.752 4.799 20 0 JJADRN COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1cnc(C)s1 ZINC001462740882 1068150538 /nfs/dbraw/zinc/15/05/38/1068150538.db2.gz SCQIYKWASDSECV-UHFFFAOYSA-N 0 0 454.529 4.633 20 0 JJADRN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3c4ccccc4sc3C(=O)OC)oc21 ZINC001462741834 1068151331 /nfs/dbraw/zinc/15/13/31/1068151331.db2.gz IXZDROUUURSGBB-ZDUSSCGKSA-N 0 0 459.545 4.872 20 0 JJADRN CCc1ccc([C@@H](NS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C(C)C)cc1 ZINC001462744814 1068152469 /nfs/dbraw/zinc/15/24/69/1068152469.db2.gz OWVACVKJBWWUEL-VJTSUQJLSA-N 0 0 472.651 4.961 20 0 JJADRN CCCCc1ccc([C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C(C)C)cc1 ZINC001462743635 1068152585 /nfs/dbraw/zinc/15/25/85/1068152585.db2.gz ASXQEDKMVLSHFV-DQEYMECFSA-N 0 0 456.652 4.951 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001462745586 1068153125 /nfs/dbraw/zinc/15/31/25/1068153125.db2.gz RAJBJCXDFKQGFY-UHFFFAOYSA-N 0 0 451.514 4.560 20 0 JJADRN O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC001462750022 1068154361 /nfs/dbraw/zinc/15/43/61/1068154361.db2.gz RTQLOAHLEMOTKC-UXHICEINSA-N 0 0 451.419 4.882 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(C)C)cc2)cc1 ZINC001462750461 1068155174 /nfs/dbraw/zinc/15/51/74/1068155174.db2.gz AUENTIZNHPHIPP-VWLOTQADSA-N 0 0 450.604 4.817 20 0 JJADRN Cc1cc(Br)ccc1S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC001462751983 1068155776 /nfs/dbraw/zinc/15/57/76/1068155776.db2.gz GJWZHAGRIUZKFQ-UHFFFAOYSA-N 0 0 451.317 4.562 20 0 JJADRN COc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C(C)C)cc1S(=O)(=O)Cc1cc(C)no1 ZINC001462760929 1068158226 /nfs/dbraw/zinc/15/82/26/1068158226.db2.gz BOAJEWNWHLJPMR-SFHVURJKSA-N 0 0 456.564 4.657 20 0 JJADRN CCCCN1C(=O)CC[C@@H](C(=O)NCCc2ccc3ncccc3c2)[C@@H]1c1ccc(OC)cc1 ZINC001462761338 1068158945 /nfs/dbraw/zinc/15/89/45/1068158945.db2.gz DPJJKSIAWPDIMM-SQHAQQRYSA-N 0 0 459.590 4.682 20 0 JJADRN C[C@@H](c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1)C(F)(F)F ZINC001462763122 1068159025 /nfs/dbraw/zinc/15/90/25/1068159025.db2.gz HYBZYKZRLYJLCD-BBRMVZONSA-N 0 0 450.448 4.975 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001462766302 1068160119 /nfs/dbraw/zinc/16/01/19/1068160119.db2.gz MPCMJULCGHNTCG-JOCHJYFZSA-N 0 0 451.567 4.792 20 0 JJADRN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)C1(c3cccc(C)c3)CCCCC1)C2 ZINC001462766278 1068160240 /nfs/dbraw/zinc/16/02/40/1068160240.db2.gz QVKJZRMVWPTQRP-RZIGYZOXSA-N 0 0 484.637 4.502 20 0 JJADRN COC(=O)c1c(F)ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1Cl ZINC001462768498 1068160798 /nfs/dbraw/zinc/16/07/98/1068160798.db2.gz YMUFCOKUGNRSSC-SECBINFHSA-N 0 0 459.688 4.564 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(C)cc(C)c4c3)CC2)c(C)c1 ZINC001462767728 1068160805 /nfs/dbraw/zinc/16/08/05/1068160805.db2.gz UIQJWFKMQYDLGS-UHFFFAOYSA-N 0 0 451.592 4.508 20 0 JJADRN Cc1ccc(-n2ncc(C(=O)N3C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C3)c2C(C)C)cc1 ZINC001462769289 1068161206 /nfs/dbraw/zinc/16/12/06/1068161206.db2.gz ITMAMJRUUGAQKB-WOJBJXKFSA-N 0 0 454.615 4.927 20 0 JJADRN CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001462769239 1068161249 /nfs/dbraw/zinc/16/12/49/1068161249.db2.gz IHXMJGSNPOMEOQ-NHCUHLMSSA-N 0 0 477.527 4.504 20 0 JJADRN Cc1c(F)cccc1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC001462769047 1068161282 /nfs/dbraw/zinc/16/12/82/1068161282.db2.gz UNVMYBYIEZDRIX-OAQYLSRUSA-N 0 0 451.567 4.792 20 0 JJADRN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462770562 1068162489 /nfs/dbraw/zinc/16/24/89/1068162489.db2.gz SRWCGOVDXLZDFD-GDBMZVCRSA-N 0 0 457.384 4.530 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)CC[C@H]2CCc3ccccc32)cc1 ZINC001462771736 1068163104 /nfs/dbraw/zinc/16/31/04/1068163104.db2.gz MNVHTMHHWFXMJP-LJQANCHMSA-N 0 0 451.544 4.776 20 0 JJADRN C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1scc(Br)c1Br ZINC001462771573 1068163119 /nfs/dbraw/zinc/16/31/19/1068163119.db2.gz CWZRJGVEJRWWJY-MRVPVSSYSA-N 0 0 457.184 4.794 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@H](C)c2nccs2)CCOCC1 ZINC001546133814 1068163618 /nfs/dbraw/zinc/16/36/18/1068163618.db2.gz AKLOKMRRUHECCH-SFHVURJKSA-N 0 0 485.654 4.866 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001462774057 1068163625 /nfs/dbraw/zinc/16/36/25/1068163625.db2.gz AHTIVDFKYKMYTF-UHFFFAOYSA-N 0 0 451.032 4.806 20 0 JJADRN CC(C)Oc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC001462773189 1068163708 /nfs/dbraw/zinc/16/37/08/1068163708.db2.gz ZIXYKHQHMRALHM-UHFFFAOYSA-N 0 0 452.292 4.734 20 0 JJADRN COC(=O)c1cc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)cc2)ccn1 ZINC001462775129 1068164265 /nfs/dbraw/zinc/16/42/65/1068164265.db2.gz GNOOYPGDRSTUPH-MRXNPFEDSA-N 0 0 451.910 4.779 20 0 JJADRN COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cncc(Cl)c2)cc1 ZINC001462776957 1068164794 /nfs/dbraw/zinc/16/47/94/1068164794.db2.gz QSIZIFYNETZPLL-UHFFFAOYSA-N 0 0 455.923 4.505 20 0 JJADRN COc1cc(C)c(Br)cc1S(=O)(=O)N(C)Cc1ccccc1C(F)(F)F ZINC001462776857 1068164844 /nfs/dbraw/zinc/16/48/44/1068164844.db2.gz LFDPBODPJBGXJY-UHFFFAOYSA-N 0 0 452.292 4.606 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)c3ccc(F)cc3F)c2)cc1 ZINC001462778073 1068165278 /nfs/dbraw/zinc/16/52/78/1068165278.db2.gz NCWMQLKVNKPVMM-UHFFFAOYSA-N 0 0 458.530 4.763 20 0 JJADRN CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001546133823 1068165295 /nfs/dbraw/zinc/16/52/95/1068165295.db2.gz AZNNWGRBILAVBO-JOCHJYFZSA-N 0 0 474.671 4.574 20 0 JJADRN O=S(=O)(c1ccc(OC(F)(F)F)cc1Br)N1CCC[C@@H]1c1ccccc1 ZINC001462777824 1068165327 /nfs/dbraw/zinc/16/53/27/1068165327.db2.gz SBNBRSJOADGMCK-OAHLLOKOSA-N 0 0 450.276 4.874 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)Oc3ccc(Oc4ccccn4)cc3)cc2c1C ZINC001462779411 1068165875 /nfs/dbraw/zinc/16/58/75/1068165875.db2.gz WACGTNHOSUGZFP-UHFFFAOYSA-N 0 0 453.472 4.873 20 0 JJADRN COc1ccc(Br)c(CS(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c1 ZINC001462779859 1068166439 /nfs/dbraw/zinc/16/64/39/1068166439.db2.gz YPPKONCABZWTOR-UHFFFAOYSA-N 0 0 450.310 4.554 20 0 JJADRN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001462784059 1068166953 /nfs/dbraw/zinc/16/69/53/1068166953.db2.gz LARWBKCMTNZFAX-UHFFFAOYSA-N 0 0 457.148 4.724 20 0 JJADRN O=C(NCc1cscc1Cl)c1ccc(I)c(Br)c1 ZINC001462785171 1068167008 /nfs/dbraw/zinc/16/70/08/1068167008.db2.gz HOCGVHYWSQESSX-UHFFFAOYSA-N 0 0 456.530 4.699 20 0 JJADRN COC(=O)[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc2ccccc21 ZINC001462787889 1068167547 /nfs/dbraw/zinc/16/75/47/1068167547.db2.gz VEULIVKYZWPOTN-MHZLTWQESA-N 0 0 455.510 4.828 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC(C)(C)C2)CCOCC1 ZINC001546134108 1068167971 /nfs/dbraw/zinc/16/79/71/1068167971.db2.gz LSCAUDXCLYRDER-UHFFFAOYSA-N 0 0 460.644 4.501 20 0 JJADRN CS(=O)(=O)C1CCC(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC001462791846 1068168403 /nfs/dbraw/zinc/16/84/03/1068168403.db2.gz RGLXUWDGMRMCLC-UHFFFAOYSA-N 0 0 456.995 4.888 20 0 JJADRN CCOC(=O)C[C@@H](NC(=O)c1cc(NC(=O)OCC)ccc1Cl)c1ccc(F)cc1F ZINC001462794044 1068168920 /nfs/dbraw/zinc/16/89/20/1068168920.db2.gz XSTLXOKHZWNLMO-GOSISDBHSA-N 0 0 454.857 4.611 20 0 JJADRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c(Cl)cc21 ZINC001462792557 1068169004 /nfs/dbraw/zinc/16/90/04/1068169004.db2.gz JTBDYOCSHOXCMJ-QFIPXVFZSA-N 0 0 454.979 4.511 20 0 JJADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(C)c(Br)c3)cc21 ZINC001462792911 1068169057 /nfs/dbraw/zinc/16/90/57/1068169057.db2.gz GNWDWOXHZJWYTN-UHFFFAOYSA-N 0 0 453.310 4.757 20 0 JJADRN CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001462795463 1068169609 /nfs/dbraw/zinc/16/96/09/1068169609.db2.gz KPQZTWBYTDBANP-UHFFFAOYSA-N 0 0 456.417 4.732 20 0 JJADRN COC(=O)[C@H](NC(=O)CCc1ccc(OC)cc1Br)c1cccc2ccccc21 ZINC001462796182 1068170179 /nfs/dbraw/zinc/17/01/79/1068170179.db2.gz YJZOGFLSNGBPSB-JOCHJYFZSA-N 0 0 456.336 4.574 20 0 JJADRN CO[C@H](C(=O)NCc1cc(Br)ccc1Cl)c1ccc(Br)s1 ZINC001462797780 1068170655 /nfs/dbraw/zinc/17/06/55/1068170655.db2.gz XZFURSOXWHMTJA-ZDUSSCGKSA-N 0 0 453.583 4.930 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC001462799198 1068171131 /nfs/dbraw/zinc/17/11/31/1068171131.db2.gz RMMRXVPIEGIJJV-UHFFFAOYSA-N 0 0 454.848 4.505 20 0 JJADRN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CCCC1 ZINC001546134177 1068171786 /nfs/dbraw/zinc/17/17/86/1068171786.db2.gz ODUYPNYGSZVUIH-NRFANRHFSA-N 0 0 497.684 4.921 20 0 JJADRN CN1C(=O)C[C@H](NC(=O)c2cccc3cccc(Br)c32)[C@H]1c1ccc(F)c(F)c1 ZINC001462814718 1068174523 /nfs/dbraw/zinc/17/45/23/1068174523.db2.gz RKTKEEABHLNJSP-GHTZIAJQSA-N 0 0 459.290 4.582 20 0 JJADRN O=S(=O)(CCC1CCCCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001462813269 1068174549 /nfs/dbraw/zinc/17/45/49/1068174549.db2.gz IMPYETOTFFQROK-UHFFFAOYSA-N 0 0 450.645 4.972 20 0 JJADRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC001462816188 1068174997 /nfs/dbraw/zinc/17/49/97/1068174997.db2.gz MFTGZHVEJHORPL-AWEZNQCLSA-N 0 0 451.734 4.578 20 0 JJADRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cn1 ZINC001462815520 1068175066 /nfs/dbraw/zinc/17/50/66/1068175066.db2.gz YPWSPDKUDUAECZ-UHFFFAOYSA-N 0 0 456.955 4.799 20 0 JJADRN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001462819837 1068175687 /nfs/dbraw/zinc/17/56/87/1068175687.db2.gz BGMFVSYXFGJMTE-CVEARBPZSA-N 0 0 459.509 4.581 20 0 JJADRN CCCc1c(C(=O)Nc2ccc(C(=O)OC)cc2OCC)nnn1-c1cccc(C(C)C)c1 ZINC001462820316 1068176193 /nfs/dbraw/zinc/17/61/93/1068176193.db2.gz ZWNFTLLPWKQNGH-UHFFFAOYSA-N 0 0 450.539 4.781 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC001462823691 1068177473 /nfs/dbraw/zinc/17/74/73/1068177473.db2.gz XUIPDHGHYGVOKE-FQEVSTJZSA-N 0 0 458.986 4.977 20 0 JJADRN CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC001462822078 1068177487 /nfs/dbraw/zinc/17/74/87/1068177487.db2.gz AWYFKAZDDGIFQE-UHFFFAOYSA-N 0 0 456.218 4.545 20 0 JJADRN O=S(=O)(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(Cl)ccc1Cl ZINC001462825377 1068178525 /nfs/dbraw/zinc/17/85/25/1068178525.db2.gz QRKPMOAVPOLHHU-MRXNPFEDSA-N 0 0 451.778 4.901 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)CSc2ccc3c(c2)CCC3)CC[C@H]1C(F)(F)F ZINC001462826455 1068179114 /nfs/dbraw/zinc/17/91/14/1068179114.db2.gz QDMWEKHFFDQOLI-MSOLQXFVSA-N 0 0 458.546 4.572 20 0 JJADRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001462826465 1068179162 /nfs/dbraw/zinc/17/91/62/1068179162.db2.gz RUBVRJJIZGOZNJ-UHFFFAOYSA-N 0 0 450.000 4.831 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)CC[C@H]1C(F)(F)F ZINC001462826344 1068179207 /nfs/dbraw/zinc/17/92/07/1068179207.db2.gz PSQLIZMSRYZOHV-DYVFJYSZSA-N 0 0 457.880 4.806 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001462827755 1068179658 /nfs/dbraw/zinc/17/96/58/1068179658.db2.gz STCFZMFOXYZYPV-MOPGFXCFSA-N 0 0 456.505 4.926 20 0 JJADRN Cc1cc(SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(C)cc1Br ZINC001462828745 1068180820 /nfs/dbraw/zinc/18/08/20/1068180820.db2.gz CYJUJWYALPATGL-GDBMZVCRSA-N 0 0 457.434 4.530 20 0 JJADRN C[C@@H]1C[C@H](C)CCN(C(=O)CCCc2nnc(-c3ccccc3I)o2)C1 ZINC001462829389 1068180828 /nfs/dbraw/zinc/18/08/28/1068180828.db2.gz OFXSSSAKHPXMAC-HUUCEWRRSA-N 0 0 467.351 4.559 20 0 JJADRN CCC(CC)[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)c1ccccc1 ZINC001462831760 1068182586 /nfs/dbraw/zinc/18/25/86/1068182586.db2.gz YHGUSUXMDPLJEV-HSZRJFAPSA-N 0 0 456.612 4.547 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)NCc2ccc(COc3ccccc3)cc2)c1 ZINC001462836107 1068184441 /nfs/dbraw/zinc/18/44/41/1068184441.db2.gz PZUVIYCCDXSTBO-UHFFFAOYSA-N 0 0 451.466 4.772 20 0 JJADRN CCC[C@@H](C)CS(=O)(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC001462836739 1068184619 /nfs/dbraw/zinc/18/46/19/1068184619.db2.gz LKJYTAABKGZTCR-DYESRHJHSA-N 0 0 452.711 4.925 20 0 JJADRN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)CC1=O ZINC001462840735 1068186311 /nfs/dbraw/zinc/18/63/11/1068186311.db2.gz QCXIYDBJVMYBPX-ZBFHGGJFSA-N 0 0 452.498 4.846 20 0 JJADRN Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCCC1(c2ccccc2)CC1 ZINC001462839991 1068186326 /nfs/dbraw/zinc/18/63/26/1068186326.db2.gz VVMJUMFTEAKTAT-OAQYLSRUSA-N 0 0 452.599 4.615 20 0 JJADRN O=C(Nc1cccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1)c1ccccc1 ZINC001462843050 1068186787 /nfs/dbraw/zinc/18/67/87/1068186787.db2.gz HEBYJHOCEGABKS-UHFFFAOYSA-N 0 0 455.385 4.744 20 0 JJADRN O=S(=O)(c1ccc(Br)cc1F)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001462843210 1068186817 /nfs/dbraw/zinc/18/68/17/1068186817.db2.gz GPPMLDPADUWBPS-UHFFFAOYSA-N 0 0 453.308 4.687 20 0 JJADRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC001462845734 1068188069 /nfs/dbraw/zinc/18/80/69/1068188069.db2.gz ORCVAYRODIIGPH-IBGZPJMESA-N 0 0 453.944 4.704 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1C ZINC001462847039 1068188714 /nfs/dbraw/zinc/18/87/14/1068188714.db2.gz ZDTZXVQWPODYDP-OAQYLSRUSA-N 0 0 453.539 4.521 20 0 JJADRN Cc1ccc(CNC(=O)c2cccc(CNS(=O)(=O)c3csc4ccccc43)c2)cc1 ZINC001462848004 1068189458 /nfs/dbraw/zinc/18/94/58/1068189458.db2.gz UTBPTIHGANPJGW-UHFFFAOYSA-N 0 0 450.585 4.618 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1Cl ZINC001462848735 1068189473 /nfs/dbraw/zinc/18/94/73/1068189473.db2.gz MFWFNRCCOSJGNI-UHFFFAOYSA-N 0 0 450.347 4.742 20 0 JJADRN CC(=O)c1cc(F)ccc1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC001462850737 1068190001 /nfs/dbraw/zinc/19/00/01/1068190001.db2.gz NJCQMYNTJQKMLC-UHFFFAOYSA-N 0 0 454.523 4.561 20 0 JJADRN O=C(N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cncc(OCC(F)F)c1 ZINC001462849189 1068190031 /nfs/dbraw/zinc/19/00/31/1068190031.db2.gz FENOFGKSZNVBHA-INIZCTEOSA-N 0 0 453.283 4.664 20 0 JJADRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001462854595 1068191753 /nfs/dbraw/zinc/19/17/53/1068191753.db2.gz ZQQLMOXQFNTKKE-UHFFFAOYSA-N 0 0 455.557 4.638 20 0 JJADRN COC(=O)Nc1cccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 ZINC001462857105 1068192958 /nfs/dbraw/zinc/19/29/58/1068192958.db2.gz HVLSGDQXIZODAM-UHFFFAOYSA-N 0 0 455.113 4.702 20 0 JJADRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001462856262 1068193003 /nfs/dbraw/zinc/19/30/03/1068193003.db2.gz YLTYLNOJYGAQPR-UHFFFAOYSA-N 0 0 456.370 4.917 20 0 JJADRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C2(C(F)(F)F)CC2)c1 ZINC001462858910 1068193432 /nfs/dbraw/zinc/19/34/32/1068193432.db2.gz GRDHDZLNRGFCCH-UHFFFAOYSA-N 0 0 454.514 4.849 20 0 JJADRN COc1cc([C@@H](C)NS(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)ccc1OCCC(C)C ZINC001462861673 1068194059 /nfs/dbraw/zinc/19/40/59/1068194059.db2.gz YLQNSFCGQBGISC-YWWLGCSWSA-N 0 0 461.624 4.803 20 0 JJADRN O=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccc2c1OC(F)(F)O2 ZINC001462862324 1068194476 /nfs/dbraw/zinc/19/44/76/1068194476.db2.gz KUHLCGCJWPPOJP-SFHVURJKSA-N 0 0 455.841 4.869 20 0 JJADRN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc2cc(Br)cnc2n1 ZINC001462862690 1068195154 /nfs/dbraw/zinc/19/51/54/1068195154.db2.gz ASBUECUNVQMJSF-UHFFFAOYSA-N 0 0 451.280 4.597 20 0 JJADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001462865489 1068195721 /nfs/dbraw/zinc/19/57/21/1068195721.db2.gz YRWACHJRMOLNET-GFCCVEGCSA-N 0 0 452.787 4.881 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc2sc(Cl)nc2c1)c1cccc(OCc2ccccn2)c1 ZINC001462868261 1068196730 /nfs/dbraw/zinc/19/67/30/1068196730.db2.gz FZQWREXEMZWXNK-AWEZNQCLSA-N 0 0 459.980 4.963 20 0 JJADRN COc1cc([C@H](C)NS(=O)(=O)c2ccc(OC3CC3)cc2)ccc1OCc1ccccc1 ZINC001462867062 1068196810 /nfs/dbraw/zinc/19/68/10/1068196810.db2.gz GEWIOPLGAGMKSZ-SFHVURJKSA-N 0 0 453.560 4.855 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc1Br ZINC001462869851 1068197298 /nfs/dbraw/zinc/19/72/98/1068197298.db2.gz LQSDBFDOJCOHBE-HNNXBMFYSA-N 0 0 456.402 4.545 20 0 JJADRN COc1cc(C)c(S(=O)(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1Cl ZINC001462872025 1068197893 /nfs/dbraw/zinc/19/78/93/1068197893.db2.gz IOKJLDRRDUVFMK-UHFFFAOYSA-N 0 0 458.967 4.696 20 0 JJADRN COc1ccc(F)cc1CS(=O)(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001462874409 1068199155 /nfs/dbraw/zinc/19/91/55/1068199155.db2.gz SJROZLQJVCKJLG-QGZVFWFLSA-N 0 0 459.539 4.603 20 0 JJADRN Cc1c(C(=O)N=[S@](C)(=O)c2ccccc2Br)cnn1-c1ccccc1Cl ZINC001462874774 1068199160 /nfs/dbraw/zinc/19/91/60/1068199160.db2.gz UTVPAERYERBGHB-AREMUKBSSA-N 0 0 452.761 4.894 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 ZINC001462875568 1068199549 /nfs/dbraw/zinc/19/95/49/1068199549.db2.gz NIQAALCAHKSWRY-HKBQPEDESA-N 0 0 453.545 4.821 20 0 JJADRN C[S@@](=O)(=NC(=O)C1(c2cccc(Br)c2)CC1)c1cccc(Br)c1 ZINC001462877453 1068200139 /nfs/dbraw/zinc/20/01/39/1068200139.db2.gz BYISJRRVMXFZLI-QHCPKHFHSA-N 0 0 457.187 4.927 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)c(F)c1 ZINC001462877391 1068200146 /nfs/dbraw/zinc/20/01/46/1068200146.db2.gz NGVNVUOZJDVKGG-XMMPIXPASA-N 0 0 452.551 4.971 20 0 JJADRN CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)c(Cl)c4)CC3)c[nH]c21 ZINC001462877668 1068200227 /nfs/dbraw/zinc/20/02/27/1068200227.db2.gz DMZKOLGCLHKORH-UHFFFAOYSA-N 0 0 459.999 4.910 20 0 JJADRN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001462877975 1068200569 /nfs/dbraw/zinc/20/05/69/1068200569.db2.gz ZEQMQWUFWSJAOK-GPXNEJASSA-N 0 0 456.608 4.557 20 0 JJADRN COc1cc(/C=C\C(=O)N=[S@](C)(=O)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC001462879097 1068200651 /nfs/dbraw/zinc/20/06/51/1068200651.db2.gz SPOJJEAIRHGNRQ-JIDJFLSWSA-N 0 0 458.511 4.715 20 0 JJADRN O=S(=O)(CC=C(Cl)Cl)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC001462878047 1068200705 /nfs/dbraw/zinc/20/07/05/1068200705.db2.gz ZMIDFMZRMXARBP-MRXNPFEDSA-N 0 0 453.160 4.916 20 0 JJADRN COc1ccc([S@](C)(=O)=NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC001462880011 1068201311 /nfs/dbraw/zinc/20/13/11/1068201311.db2.gz VQNFAWKXKXKCKG-HKBQPEDESA-N 0 0 451.573 4.966 20 0 JJADRN Cc1cc(CN(C)S(=O)(=O)c2onc(C3CC3)c2Cl)cc(C)c1OCC(F)(F)F ZINC001462881694 1068201697 /nfs/dbraw/zinc/20/16/97/1068201697.db2.gz XHFKWLWLNNVMDB-UHFFFAOYSA-N 0 0 452.882 4.584 20 0 JJADRN CC[C@@H]1[C@H](C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)CCN1C(=O)OC(C)(C)C ZINC001462882229 1068202247 /nfs/dbraw/zinc/20/22/47/1068202247.db2.gz TVQUCNSKVPZZMY-IEBWSBKVSA-N 0 0 455.530 4.734 20 0 JJADRN C[C@@H]1CN(Cc2cccc(CNS(=O)(=O)Cc3ccc(C4CCCCC4)cc3)c2)CCO1 ZINC001462886500 1068203202 /nfs/dbraw/zinc/20/32/02/1068203202.db2.gz JZLYXKHZVNDQSM-OAQYLSRUSA-N 0 0 456.652 4.575 20 0 JJADRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 ZINC001462886404 1068203277 /nfs/dbraw/zinc/20/32/77/1068203277.db2.gz JUCVXZVLKGVLLL-ZEQRLZLVSA-N 0 0 456.608 4.653 20 0 JJADRN Cc1c(C(=O)N=S(=O)(c2ccccc2)c2ccccc2)nnn1Cc1ccc(F)cc1F ZINC001462887252 1068203867 /nfs/dbraw/zinc/20/38/67/1068203867.db2.gz KOBJOTLQKKIMBX-UHFFFAOYSA-N 0 0 452.486 4.639 20 0 JJADRN CCCCCCN(Cc1ccc(C)o1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001462887654 1068203968 /nfs/dbraw/zinc/20/39/68/1068203968.db2.gz KAMCXXQKCJITSM-UHFFFAOYSA-N 0 0 453.004 4.859 20 0 JJADRN Cc1ncoc1-c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1 ZINC001462891261 1068204853 /nfs/dbraw/zinc/20/48/53/1068204853.db2.gz RSRLHFSCSQXLTA-QGZVFWFLSA-N 0 0 453.564 4.774 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC001462891783 1068204879 /nfs/dbraw/zinc/20/48/79/1068204879.db2.gz LXQZPEUPHCHLJW-PXAZEXFGSA-N 0 0 453.404 4.875 20 0 JJADRN CC(=O)c1ccc(Br)cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001462891375 1068204886 /nfs/dbraw/zinc/20/48/86/1068204886.db2.gz UXJXPQOCHCFEEM-UHFFFAOYSA-N 0 0 450.354 4.620 20 0 JJADRN C[C@@H](CCc1ccc(Br)cc1)NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC001462891631 1068204894 /nfs/dbraw/zinc/20/48/94/1068204894.db2.gz ZMYRXRDPLULAFV-QWHCGFSZSA-N 0 0 458.805 4.726 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC001462891797 1068204997 /nfs/dbraw/zinc/20/49/97/1068204997.db2.gz LXQZPEUPHCHLJW-YVEFUNNKSA-N 0 0 453.404 4.875 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc1Br ZINC001462892120 1068205506 /nfs/dbraw/zinc/20/55/06/1068205506.db2.gz DWRTWIFQZPYNMP-AWEZNQCLSA-N 0 0 456.402 4.501 20 0 JJADRN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)cc21 ZINC001462895850 1068207036 /nfs/dbraw/zinc/20/70/36/1068207036.db2.gz YQUJQVASSYJXRA-HSZRJFAPSA-N 0 0 454.979 4.511 20 0 JJADRN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)cc21 ZINC001462895851 1068207169 /nfs/dbraw/zinc/20/71/69/1068207169.db2.gz YQUJQVASSYJXRA-QHCPKHFHSA-N 0 0 454.979 4.511 20 0 JJADRN O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NCc1ccccc1OCC(F)(F)F ZINC001462897891 1068207582 /nfs/dbraw/zinc/20/75/82/1068207582.db2.gz DUMYYZWWHPSPAQ-UHFFFAOYSA-N 0 0 455.420 4.699 20 0 JJADRN CC(C)N1C(=O)C[C@H](NC(=O)CCOc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135036 1068209861 /nfs/dbraw/zinc/20/98/61/1068209861.db2.gz MHMKHVQNBOLDGS-AVRDEDQJSA-N 0 0 453.341 4.768 20 0 JJADRN CN(C)[S@](=O)(=NS(=O)(=O)N(CC1CCCCC1)CC1CCCCC1)c1ccccc1 ZINC001462902978 1068209872 /nfs/dbraw/zinc/20/98/72/1068209872.db2.gz UYXKYAFLYHFFNR-GDLZYMKVSA-N 0 0 455.690 4.698 20 0 JJADRN CO[C@H](CS(=O)(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C)C1CCOCC1 ZINC001462910716 1068211735 /nfs/dbraw/zinc/21/17/35/1068211735.db2.gz RQFFMSYBEUUQIL-OAQYLSRUSA-N 0 0 455.617 4.536 20 0 JJADRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC001462910699 1068211768 /nfs/dbraw/zinc/21/17/68/1068211768.db2.gz JPEQEJISXKTNCD-UHFFFAOYSA-N 0 0 451.514 4.945 20 0 JJADRN O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001462912099 1068212078 /nfs/dbraw/zinc/21/20/78/1068212078.db2.gz UZLNMOTXXUCABW-UHFFFAOYSA-N 0 0 451.869 4.525 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1Br ZINC001462910758 1068212188 /nfs/dbraw/zinc/21/21/88/1068212188.db2.gz ISUHLGKBNFTLRE-HNNXBMFYSA-N 0 0 458.805 4.897 20 0 JJADRN COc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC001462914995 1068213226 /nfs/dbraw/zinc/21/32/26/1068213226.db2.gz KDGPMDBDUVDGCN-UHFFFAOYSA-N 0 0 450.276 4.618 20 0 JJADRN O=S(=O)(NCc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1Br ZINC001462914012 1068213264 /nfs/dbraw/zinc/21/32/64/1068213264.db2.gz CIGALDLSLSZSRQ-UHFFFAOYSA-N 0 0 452.182 4.844 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c(F)c1F ZINC001462918196 1068213771 /nfs/dbraw/zinc/21/37/71/1068213771.db2.gz YSKDSKOWZBUTPD-UHFFFAOYSA-N 0 0 451.514 4.836 20 0 JJADRN Cc1ccc(CC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)CC2)cc1 ZINC001546135182 1068214284 /nfs/dbraw/zinc/21/42/84/1068214284.db2.gz QEASWJVJLWWONZ-NRFANRHFSA-N 0 0 454.636 4.653 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC001462920174 1068214868 /nfs/dbraw/zinc/21/48/68/1068214868.db2.gz NKENPYKUPCZGHS-LJQANCHMSA-N 0 0 459.930 4.755 20 0 JJADRN C[C@H](CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)N(C)c1ccccc1 ZINC001462922829 1068215930 /nfs/dbraw/zinc/21/59/30/1068215930.db2.gz JHTJODBNKLKBKW-LLVKDONJSA-N 0 0 452.201 4.559 20 0 JJADRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001462928569 1068217723 /nfs/dbraw/zinc/21/77/23/1068217723.db2.gz ZQVPLIJFZOYOFQ-UHFFFAOYSA-N 0 0 458.486 4.794 20 0 JJADRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(N(C)C)c2)c1 ZINC001462929094 1068218122 /nfs/dbraw/zinc/21/81/22/1068218122.db2.gz YIKWCWOTBDPFAG-UHFFFAOYSA-N 0 0 457.983 4.874 20 0 JJADRN CN1CCc2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)cc21 ZINC001462929029 1068218135 /nfs/dbraw/zinc/21/81/35/1068218135.db2.gz KWJCOKHNQTVBAF-JOCHJYFZSA-N 0 0 457.393 4.509 20 0 JJADRN O=C1CCc2ccc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(Br)cc3)cc21 ZINC001462930607 1068218689 /nfs/dbraw/zinc/21/86/89/1068218689.db2.gz RLDLHJFXFWITSN-QFIPXVFZSA-N 0 0 456.361 4.646 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC001462931495 1068219184 /nfs/dbraw/zinc/21/91/84/1068219184.db2.gz RWVAHWXJTLLURH-UHFFFAOYSA-N 0 0 451.466 4.738 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001462931533 1068219228 /nfs/dbraw/zinc/21/92/28/1068219228.db2.gz QIDSVSSAGJDTQT-OAHLLOKOSA-N 0 0 453.489 4.857 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC001462934683 1068220650 /nfs/dbraw/zinc/22/06/50/1068220650.db2.gz IXADKQJCMUCUIJ-UHFFFAOYSA-N 0 0 450.507 4.662 20 0 JJADRN CC(C)CN(Cc1ccccn1)C(=O)c1cccn1-c1cccc(I)c1 ZINC001462939072 1068222126 /nfs/dbraw/zinc/22/21/26/1068222126.db2.gz VLYVDIFCIPXOIJ-UHFFFAOYSA-N 0 0 459.331 4.775 20 0 JJADRN CN(C)c1cc(NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)ccc1Cl ZINC001462939139 1068222156 /nfs/dbraw/zinc/22/21/56/1068222156.db2.gz ZRIXXKJICOWUGK-FQEVSTJZSA-N 0 0 456.974 4.962 20 0 JJADRN COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001462939885 1068222552 /nfs/dbraw/zinc/22/25/52/1068222552.db2.gz TVUPGSCHLVTACP-LLVKDONJSA-N 0 0 452.292 4.858 20 0 JJADRN CCC1CCC(CNS(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 ZINC001462939546 1068222652 /nfs/dbraw/zinc/22/26/52/1068222652.db2.gz WMFIGKPPMNNFNA-UHFFFAOYSA-N 0 0 457.203 4.845 20 0 JJADRN CC(=O)c1ccc(OC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1Cl ZINC001462943516 1068223265 /nfs/dbraw/zinc/22/32/65/1068223265.db2.gz YQIGPBIVCZUXOX-UHFFFAOYSA-N 0 0 455.095 4.758 20 0 JJADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)cc1 ZINC001462946547 1068224613 /nfs/dbraw/zinc/22/46/13/1068224613.db2.gz LCRVTOBXXSYKGD-BBWFWOEESA-N 0 0 458.505 4.561 20 0 JJADRN O=C(NC[C@]12C[C@H]1CCC2)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC001462947418 1068225102 /nfs/dbraw/zinc/22/51/02/1068225102.db2.gz WKEGKOHCTLVCRO-ABKXIKBNSA-N 0 0 452.786 4.878 20 0 JJADRN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1 ZINC001462950432 1068226139 /nfs/dbraw/zinc/22/61/39/1068226139.db2.gz FPMMBAZWILFBEN-HSZRJFAPSA-N 0 0 454.979 4.729 20 0 JJADRN COc1ccccc1C(C)(C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001462952598 1068226783 /nfs/dbraw/zinc/22/67/83/1068226783.db2.gz ISYMTRCTAZIHJF-UHFFFAOYSA-N 0 0 450.757 4.506 20 0 JJADRN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)Oc3ccc(Sc4ccncc4)cc3)cc21 ZINC001462954377 1068228257 /nfs/dbraw/zinc/22/82/57/1068228257.db2.gz KKTHIHGOARVOOO-INIZCTEOSA-N 0 0 454.573 4.861 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1cc(F)ccc1OC ZINC001462954943 1068228941 /nfs/dbraw/zinc/22/89/41/1068228941.db2.gz WONYDXGREHXCIG-LJQANCHMSA-N 0 0 457.567 4.806 20 0 JJADRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001462960641 1068229958 /nfs/dbraw/zinc/22/99/58/1068229958.db2.gz VRHUVBDTMBLOHK-INIZCTEOSA-N 0 0 451.169 4.518 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001462964298 1068230631 /nfs/dbraw/zinc/23/06/31/1068230631.db2.gz CVYOENLMIQCORA-LJQANCHMSA-N 0 0 454.386 4.771 20 0 JJADRN CCOC(=O)[C@H](NC(=O)c1nccc2ccsc21)c1ccc(Br)c(Cl)c1 ZINC001462963374 1068230763 /nfs/dbraw/zinc/23/07/63/1068230763.db2.gz KORACEBNMFLSSL-CQSZACIVSA-N 0 0 453.745 4.746 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001462962450 1068230939 /nfs/dbraw/zinc/23/09/39/1068230939.db2.gz JHVUQGPJRUSXLE-FQEVSTJZSA-N 0 0 453.963 4.638 20 0 JJADRN O=Cc1cc(-c2ccccc2)ccc1OS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC001462966518 1068232179 /nfs/dbraw/zinc/23/21/79/1068232179.db2.gz JJFYULBBUSUCQQ-UHFFFAOYSA-N 0 0 459.317 4.631 20 0 JJADRN COc1ccc(Br)cc1[C@@H]1CCCN1S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001462969061 1068232894 /nfs/dbraw/zinc/23/28/94/1068232894.db2.gz SQIHOCHDQQOJLM-IMFGXOCKSA-N 0 0 454.361 4.620 20 0 JJADRN Cc1ccc(OCc2ccc(C(=O)NC3(c4ncc(Br)cn4)CCC3)o2)c(C)c1 ZINC001462971058 1068233288 /nfs/dbraw/zinc/23/32/88/1068233288.db2.gz RJVGREOGJQKTAC-UHFFFAOYSA-N 0 0 456.340 4.837 20 0 JJADRN O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(Cl)cc(Br)c1 ZINC001462971609 1068233345 /nfs/dbraw/zinc/23/33/45/1068233345.db2.gz PNLQLYYDEVNBCN-HIFRSBDPSA-N 0 0 454.695 4.956 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC001462974121 1068234393 /nfs/dbraw/zinc/23/43/93/1068234393.db2.gz WNAXIMZGJLUKOM-CJNGLKHVSA-N 0 0 456.873 4.750 20 0 JJADRN CC(C)N1C(=O)C[C@H](C(=O)Nc2cccc(-c3cccnc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001462974220 1068234645 /nfs/dbraw/zinc/23/46/45/1068234645.db2.gz OSYYOIBSMQSKKD-SBUREZEXSA-N 0 0 452.917 4.873 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)c2ccnc(Cl)c2)c2ccccc21 ZINC001462977248 1068236365 /nfs/dbraw/zinc/23/63/65/1068236365.db2.gz OAEMZSMTUNZIIB-MSOLQXFVSA-N 0 0 457.958 4.505 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 ZINC001462980930 1068237317 /nfs/dbraw/zinc/23/73/17/1068237317.db2.gz YQWQEVDXVWMWMX-FQEVSTJZSA-N 0 0 457.640 4.905 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCC(OC2CCCC2)CC1 ZINC001462980236 1068237350 /nfs/dbraw/zinc/23/73/50/1068237350.db2.gz ODXWUYFYOOGMEQ-UHFFFAOYSA-N 0 0 457.217 4.868 20 0 JJADRN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC001462980559 1068237377 /nfs/dbraw/zinc/23/73/77/1068237377.db2.gz PCWPJNIUCGUGNP-UHFFFAOYSA-N 0 0 452.960 4.733 20 0 JJADRN C[C@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC001462981994 1068238132 /nfs/dbraw/zinc/23/81/32/1068238132.db2.gz AQBKHVMYZQVAQP-MRVPVSSYSA-N 0 0 458.592 4.714 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)c2cccnc2Cl)c2ccccc21 ZINC001462981360 1068238173 /nfs/dbraw/zinc/23/81/73/1068238173.db2.gz VLOBBLDPPSSFMB-DLBZAZTESA-N 0 0 457.958 4.505 20 0 JJADRN Cn1ncc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)c1I ZINC001462982797 1068238673 /nfs/dbraw/zinc/23/86/73/1068238673.db2.gz BRKISKUUEAIRLC-VQHVLOKHSA-N 0 0 453.280 4.544 20 0 JJADRN CCC(CC)(CNS(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1)c1ccc(Cl)cc1 ZINC001462984193 1068239323 /nfs/dbraw/zinc/23/93/23/1068239323.db2.gz YLZSRLZWTMTFDQ-UHFFFAOYSA-N 0 0 450.000 4.581 20 0 JJADRN O=S(=O)(Cc1cccc(F)c1Br)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001462985450 1068239877 /nfs/dbraw/zinc/23/98/77/1068239877.db2.gz WYIMLJHUDOHYAM-UHFFFAOYSA-N 0 0 453.160 4.783 20 0 JJADRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC001462984597 1068239914 /nfs/dbraw/zinc/23/99/14/1068239914.db2.gz NWKHTEPVKOCSAU-UHFFFAOYSA-N 0 0 456.391 4.960 20 0 JJADRN Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1S(=O)(=O)Cc1ccc(F)cc1F ZINC001462985848 1068240027 /nfs/dbraw/zinc/24/00/27/1068240027.db2.gz FMDHURSABWOMMZ-HSZRJFAPSA-N 0 0 456.514 4.563 20 0 JJADRN CC[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1nc(-c2ccccc2)c[nH]1 ZINC001462987807 1068241010 /nfs/dbraw/zinc/24/10/10/1068241010.db2.gz YBVNQHBWGFTMLN-INIZCTEOSA-N 0 0 455.561 4.508 20 0 JJADRN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(-c2cccc(Br)c2)c1 ZINC001462987001 1068241147 /nfs/dbraw/zinc/24/11/47/1068241147.db2.gz NBVMMVCXQPBPEK-WOJBJXKFSA-N 0 0 455.352 4.620 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCOC(C)(C)C2)CCOCC1 ZINC001546135633 1068241562 /nfs/dbraw/zinc/24/15/62/1068241562.db2.gz AVOMJEFIBANZIY-UHFFFAOYSA-N 0 0 463.420 4.530 20 0 JJADRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c1 ZINC001462992950 1068242271 /nfs/dbraw/zinc/24/22/71/1068242271.db2.gz VTJXTIVSZYGCQR-SFHVURJKSA-N 0 0 459.589 4.539 20 0 JJADRN CC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2c(C)ccc3ccccc32)CC1)c1ccccc1 ZINC001462993550 1068242745 /nfs/dbraw/zinc/24/27/45/1068242745.db2.gz KNMQPMXKGWUNKZ-HSZRJFAPSA-N 0 0 450.604 4.611 20 0 JJADRN COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)CC[C@@H]2CCc3ccccc32)cc1OC ZINC001462994268 1068243089 /nfs/dbraw/zinc/24/30/89/1068243089.db2.gz XNMHPLNHAOTGCW-XZOQPEGZSA-N 0 0 457.636 4.941 20 0 JJADRN CCC1(Cn2c(-c3ccccc3Br)nnc2N2CCC[C@@H](CNC(C)=O)C2)CCC1 ZINC001546135729 1068243172 /nfs/dbraw/zinc/24/31/72/1068243172.db2.gz DQIPKBZDBOJJPU-SFHVURJKSA-N 0 0 474.447 4.640 20 0 JJADRN CC(C)C[C@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996869 1068243796 /nfs/dbraw/zinc/24/37/96/1068243796.db2.gz GDLZMDUQNZOUBY-NRFANRHFSA-N 0 0 458.400 4.504 20 0 JJADRN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001462996872 1068243888 /nfs/dbraw/zinc/24/38/88/1068243888.db2.gz GDLZMDUQNZOUBY-OAQYLSRUSA-N 0 0 458.400 4.504 20 0 JJADRN Cc1csc(C[C@@H]2CCN(C(=O)Cc3ccc(Br)c(Br)c3)C2)n1 ZINC001462998585 1068244404 /nfs/dbraw/zinc/24/44/04/1068244404.db2.gz PBALEEXETKLYHH-ZDUSSCGKSA-N 0 0 458.219 4.610 20 0 JJADRN CC(C)c1ccc(-c2nc(C(=O)Nc3cnn(C)c3I)cs2)cc1 ZINC001463000208 1068244416 /nfs/dbraw/zinc/24/44/16/1068244416.db2.gz VHIXWDHYHQGRBO-UHFFFAOYSA-N 0 0 452.321 4.524 20 0 JJADRN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001463000867 1068245093 /nfs/dbraw/zinc/24/50/93/1068245093.db2.gz CAEMPJMJHAJCBF-UHFFFAOYSA-N 0 0 459.033 4.789 20 0 JJADRN Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccccc3F)C2)cc(C)c1OCc1ccccc1 ZINC001463002872 1068245580 /nfs/dbraw/zinc/24/55/80/1068245580.db2.gz CCXTYFONLGXFJZ-DEOSSOPVSA-N 0 0 455.551 4.784 20 0 JJADRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1c(Cl)cc(Br)cc1Cl ZINC001463005802 1068247598 /nfs/dbraw/zinc/24/75/98/1068247598.db2.gz AYHRIUPFWJNCLD-ZDUSSCGKSA-N 0 0 451.188 4.738 20 0 JJADRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001463006573 1068248089 /nfs/dbraw/zinc/24/80/89/1068248089.db2.gz QFWNMPHTNODGJW-LBPRGKRZSA-N 0 0 451.361 4.612 20 0 JJADRN COCc1cc(Cl)cc(S(=O)(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)c1 ZINC001463008621 1068248650 /nfs/dbraw/zinc/24/86/50/1068248650.db2.gz NGEBSLFTJZYWJD-UHFFFAOYSA-N 0 0 459.995 4.929 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546135809 1068249144 /nfs/dbraw/zinc/24/91/44/1068249144.db2.gz GXLVIBRTEUGWTE-MOPGFXCFSA-N 0 0 454.619 4.660 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546135810 1068249169 /nfs/dbraw/zinc/24/91/69/1068249169.db2.gz GXLVIBRTEUGWTE-OALUTQOASA-N 0 0 454.619 4.660 20 0 JJADRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001463009250 1068249228 /nfs/dbraw/zinc/24/92/28/1068249228.db2.gz ZUUVDIPJSFMNFG-UHFFFAOYSA-N 0 0 458.331 4.761 20 0 JJADRN CCC1(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546135811 1068249266 /nfs/dbraw/zinc/24/92/66/1068249266.db2.gz GXLVIBRTEUGWTE-RBUKOAKNSA-N 0 0 454.619 4.660 20 0 JJADRN CCOc1ccccc1CN(CCCn1ccnc1)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001463014301 1068251508 /nfs/dbraw/zinc/25/15/08/1068251508.db2.gz AQMLBFNQYZGABV-UHFFFAOYSA-N 0 0 454.017 4.586 20 0 JJADRN CCCCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)c1ccccc1 ZINC001463015710 1068252518 /nfs/dbraw/zinc/25/25/18/1068252518.db2.gz KBCQNQVHCPUMDJ-QHCPKHFHSA-N 0 0 456.612 4.691 20 0 JJADRN CC(=O)c1cccc(S(=O)(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1 ZINC001463020013 1068254055 /nfs/dbraw/zinc/25/40/55/1068254055.db2.gz SFXRRXROMMBLNQ-UHFFFAOYSA-N 0 0 454.592 4.940 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001463021018 1068254502 /nfs/dbraw/zinc/25/45/02/1068254502.db2.gz HDVTWGGMTZOCHA-HAVVHWLPSA-N 0 0 451.469 4.974 20 0 JJADRN COC(=O)c1ccccc1CCNC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC001463021032 1068254727 /nfs/dbraw/zinc/25/47/27/1068254727.db2.gz HDVTWGGMTZOCHA-QJOMJCCJSA-N 0 0 451.469 4.974 20 0 JJADRN O=S(=O)(c1cc(F)ccc1OC(F)F)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC001463022711 1068255305 /nfs/dbraw/zinc/25/53/05/1068255305.db2.gz XATZIZGZLIXCQT-UHFFFAOYSA-N 0 0 457.470 4.679 20 0 JJADRN COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC001463025582 1068255752 /nfs/dbraw/zinc/25/57/52/1068255752.db2.gz UEEMEZMGRKJTHF-KRWDZBQOSA-N 0 0 450.501 4.754 20 0 JJADRN C[C@@H](CC(=O)N1CCNC(=O)c2cc(Br)ccc21)c1cccc(C(F)(F)F)c1 ZINC001463026874 1068256323 /nfs/dbraw/zinc/25/63/23/1068256323.db2.gz ZGFGWBHUUGEICT-LBPRGKRZSA-N 0 0 455.274 4.738 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001463026210 1068256331 /nfs/dbraw/zinc/25/63/31/1068256331.db2.gz RSFNVVZGLKKCNV-UHFFFAOYSA-N 0 0 450.398 4.659 20 0 JJADRN O=S(=O)(c1ccc(F)cc1Br)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001463028498 1068256845 /nfs/dbraw/zinc/25/68/45/1068256845.db2.gz YOHSBGUUJZSANL-UHFFFAOYSA-N 0 0 454.361 4.657 20 0 JJADRN O=S(=O)(c1c(F)cccc1OC(F)(F)F)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001463028516 1068256921 /nfs/dbraw/zinc/25/69/21/1068256921.db2.gz YYERGNYEQBNYTG-UHFFFAOYSA-N 0 0 459.461 4.793 20 0 JJADRN COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC001463030310 1068257417 /nfs/dbraw/zinc/25/74/17/1068257417.db2.gz GGLUBMVEUYRERX-SFHVURJKSA-N 0 0 458.407 4.620 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1 ZINC001463032189 1068257434 /nfs/dbraw/zinc/25/74/34/1068257434.db2.gz PQHJPSJLRKTTMQ-UHFFFAOYSA-N 0 0 453.560 4.688 20 0 JJADRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001463032019 1068257597 /nfs/dbraw/zinc/25/75/97/1068257597.db2.gz JZPOHUTWAJILLR-UHFFFAOYSA-N 0 0 451.878 4.800 20 0 JJADRN COc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC001463033881 1068258115 /nfs/dbraw/zinc/25/81/15/1068258115.db2.gz DGCJDYGGCIMSAX-SFHVURJKSA-N 0 0 454.375 4.524 20 0 JJADRN COC(=O)c1sccc1OS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001463033380 1068258336 /nfs/dbraw/zinc/25/83/36/1068258336.db2.gz UXDJMYIIROGWSF-UHFFFAOYSA-N 0 0 453.335 4.732 20 0 JJADRN Cc1cccc(NC(=O)[C@H]2CSCN2S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC001463036179 1068258984 /nfs/dbraw/zinc/25/89/84/1068258984.db2.gz ASHZILNJEKKTQW-MRXNPFEDSA-N 0 0 453.010 4.565 20 0 JJADRN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001463039720 1068260136 /nfs/dbraw/zinc/26/01/36/1068260136.db2.gz FUOLCQPEKJPNOG-QFIPXVFZSA-N 0 0 459.587 4.703 20 0 JJADRN COC(=O)c1cnc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c2ccccc12 ZINC001463039152 1068260145 /nfs/dbraw/zinc/26/01/45/1068260145.db2.gz XGUINQIORQDZTK-UHFFFAOYSA-N 0 0 454.408 4.787 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)c2cc(C)cs2)c2ccccc2)cc1Br ZINC001463039841 1068260236 /nfs/dbraw/zinc/26/02/36/1068260236.db2.gz HAQKWWPNIWFXJQ-IBGZPJMESA-N 0 0 452.395 4.896 20 0 JJADRN CCN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC001463038792 1068260256 /nfs/dbraw/zinc/26/02/56/1068260256.db2.gz HPUYJTZBJONPMI-HSZRJFAPSA-N 0 0 459.514 4.860 20 0 JJADRN CC(C)(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1 ZINC001463041211 1068260957 /nfs/dbraw/zinc/26/09/57/1068260957.db2.gz MYVOCUWNNMKLNB-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN O=C(OCc1ccccc1)N1CCCC[C@@H]1CS(=O)(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001463045017 1068263182 /nfs/dbraw/zinc/26/31/82/1068263182.db2.gz VAVQDJHSGMHCDN-RPWUZVMVSA-N 0 0 456.608 4.639 20 0 JJADRN CCOC(=O)c1cn(C)cc1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC001463046460 1068264379 /nfs/dbraw/zinc/26/43/79/1068264379.db2.gz IBFZYNMDWIEFRA-UHFFFAOYSA-N 0 0 456.955 4.875 20 0 JJADRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)cc1 ZINC001463049197 1068265110 /nfs/dbraw/zinc/26/51/10/1068265110.db2.gz OQVATYVJNGUBJE-WJOKGBTCSA-N 0 0 451.935 4.645 20 0 JJADRN CN(C)c1ccc(Br)c(S(=O)(=O)Oc2ccc(OC3CCCCC3)cc2)c1 ZINC001463048458 1068265134 /nfs/dbraw/zinc/26/51/34/1068265134.db2.gz UKIDRNGBDIJTPZ-UHFFFAOYSA-N 0 0 454.386 4.994 20 0 JJADRN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)cc2C1 ZINC001463049998 1068265787 /nfs/dbraw/zinc/26/57/87/1068265787.db2.gz NXVMZNGHOUBCSF-IRXDYDNUSA-N 0 0 451.354 4.683 20 0 JJADRN Cc1c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC001463054622 1068268054 /nfs/dbraw/zinc/26/80/54/1068268054.db2.gz HJHZFKDKKIBRSA-ZWWNWMABSA-N 0 0 454.368 4.934 20 0 JJADRN O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC001463055836 1068268639 /nfs/dbraw/zinc/26/86/39/1068268639.db2.gz RHBLWEGGBCPHPH-VXKWHMMOSA-N 0 0 453.048 4.672 20 0 JJADRN O=C(c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cc1F)N1CCCC1 ZINC001463057697 1068269325 /nfs/dbraw/zinc/26/93/25/1068269325.db2.gz YWPWSTMVZAAXTA-NRFANRHFSA-N 0 0 450.963 4.535 20 0 JJADRN O=S(=O)(Oc1ccc(Br)c(F)c1)c1oc2ccccc2c1Br ZINC001463057695 1068269377 /nfs/dbraw/zinc/26/93/77/1068269377.db2.gz KFLLVOJRFDIAGT-UHFFFAOYSA-N 0 0 450.079 4.865 20 0 JJADRN Cc1cc(SCC(=O)N2CCCSC[C@H]2c2cnn(C)c2)c(C)cc1Br ZINC001463060118 1068270418 /nfs/dbraw/zinc/27/04/18/1068270418.db2.gz VDZDVZZCYIYOGW-KRWDZBQOSA-N 0 0 454.459 4.598 20 0 JJADRN O=S(=O)(c1cccc(Cl)c1Br)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001463064836 1068272711 /nfs/dbraw/zinc/27/27/11/1068272711.db2.gz CQIRACKJAKPWGI-CQSZACIVSA-N 0 0 451.169 4.518 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1OCc1ccncc1 ZINC001463065070 1068273298 /nfs/dbraw/zinc/27/32/98/1068273298.db2.gz GXSQNDYOCXUOIL-ISKFKSNPSA-N 0 0 459.546 4.581 20 0 JJADRN Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 ZINC001463065313 1068273375 /nfs/dbraw/zinc/27/33/75/1068273375.db2.gz KWRLHSTYXCRXSM-QKKBWIMNSA-N 0 0 455.368 4.806 20 0 JJADRN COc1cccc([C@@H](C)N2CCN(S(=O)(=O)c3csc4ccc(Cl)cc43)CC2)c1 ZINC001463066184 1068274202 /nfs/dbraw/zinc/27/42/02/1068274202.db2.gz OFRCNHLLTBLWIV-OAHLLOKOSA-N 0 0 451.013 4.631 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001463068771 1068275443 /nfs/dbraw/zinc/27/54/43/1068275443.db2.gz VKLPTLHPGLBHSG-SFHVURJKSA-N 0 0 450.595 4.947 20 0 JJADRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)c1cccc(OCc2cccnc2)c1 ZINC001463069179 1068275456 /nfs/dbraw/zinc/27/54/56/1068275456.db2.gz UBEVHDRKBQDEML-HFZDXXHNSA-N 0 0 451.567 4.570 20 0 JJADRN C[C@H](C(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC001463069558 1068276006 /nfs/dbraw/zinc/27/60/06/1068276006.db2.gz UOPKLFISCMTVTP-YHEJKZAPSA-N 0 0 451.405 4.849 20 0 JJADRN O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001463069624 1068276018 /nfs/dbraw/zinc/27/60/18/1068276018.db2.gz WXKQIIDULZBMPV-BHDDXSALSA-N 0 0 454.998 4.800 20 0 JJADRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)CCc1ccccc1OC(F)(F)F ZINC001463070560 1068276745 /nfs/dbraw/zinc/27/67/45/1068276745.db2.gz XMAMXLZJDVKWJX-VGSWGCGISA-N 0 0 456.505 4.814 20 0 JJADRN COC(=O)[C@@H](CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)Cc1cccc2ccccc21 ZINC001463072926 1068277297 /nfs/dbraw/zinc/27/72/97/1068277297.db2.gz GJEOCQOFKUBWLD-HSZRJFAPSA-N 0 0 453.604 4.692 20 0 JJADRN CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463072978 1068277388 /nfs/dbraw/zinc/27/73/88/1068277388.db2.gz GSEFNNDSZGSRDI-VQIMIIECSA-N 0 0 458.407 4.708 20 0 JJADRN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC(OCCc2ccccc2)CC1 ZINC001463076236 1068279027 /nfs/dbraw/zinc/27/90/27/1068279027.db2.gz RWTWNASSJDBGHW-UHFFFAOYSA-N 0 0 458.805 4.515 20 0 JJADRN CN(Cc1c(OCc2ccccc2)ccc2ccccc21)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC001463077468 1068279583 /nfs/dbraw/zinc/27/95/83/1068279583.db2.gz PXUQZEQFUZIDGD-UHFFFAOYSA-N 0 0 451.588 4.735 20 0 JJADRN C[C@H]1Cn2nc(C(=O)N3CCC(C)(C)[C@H](c4ccccc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001463079169 1068280117 /nfs/dbraw/zinc/28/01/17/1068280117.db2.gz GHRICGMPRXWYAD-RXVVDRJESA-N 0 0 452.599 4.678 20 0 JJADRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001463081772 1068281030 /nfs/dbraw/zinc/28/10/30/1068281030.db2.gz BZVUGVYTPFSGBM-QHCPKHFHSA-N 0 0 457.498 4.759 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc1 ZINC001463081986 1068281162 /nfs/dbraw/zinc/28/11/62/1068281162.db2.gz YCKBZWDCVVKABB-QGZVFWFLSA-N 0 0 458.407 4.963 20 0 JJADRN Cc1cc2cc(S(=O)(=O)NCCCc3cccc(Br)c3)ccc2nc1Cl ZINC001463083821 1068281309 /nfs/dbraw/zinc/28/13/09/1068281309.db2.gz FCRXYYMSAVRLNK-UHFFFAOYSA-N 0 0 453.789 4.870 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)S(=O)(=O)c3cn4c(n3)CCCC4)cc2C)cc1 ZINC001463085187 1068282088 /nfs/dbraw/zinc/28/20/88/1068282088.db2.gz JPMVOPWJVYRIDV-UHFFFAOYSA-N 0 0 453.608 4.544 20 0 JJADRN COCCN(CCOc1ccc(F)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001463086341 1068282403 /nfs/dbraw/zinc/28/24/03/1068282403.db2.gz OXQMUCADNKKZSQ-UHFFFAOYSA-N 0 0 456.750 4.502 20 0 JJADRN COc1c(Cl)cccc1CNC(=O)Cn1nc(C)c2c1nc(C(C)C)cc2C(F)(F)F ZINC001463085975 1068282413 /nfs/dbraw/zinc/28/24/13/1068282413.db2.gz IFEBMEMWUXLVNJ-UHFFFAOYSA-N 0 0 454.880 4.860 20 0 JJADRN CC(C)[C@H](CNS(=O)(=O)CCc1ccc2c(c1)CCO2)Cc1ccc(Cl)cc1Cl ZINC001463086184 1068282452 /nfs/dbraw/zinc/28/24/52/1068282452.db2.gz NUQGRPFXMXUOBN-IBGZPJMESA-N 0 0 456.435 4.905 20 0 JJADRN Cc1ccc(COc2c(C)cc(CN(C)S(=O)(=O)c3cnn(C4CCC4)c3)cc2C)cc1 ZINC001463091426 1068283568 /nfs/dbraw/zinc/28/35/68/1068283568.db2.gz YZUGRSQECSXOPO-UHFFFAOYSA-N 0 0 453.608 4.933 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c(Cl)c1Cl ZINC001463092609 1068284214 /nfs/dbraw/zinc/28/42/14/1068284214.db2.gz FMUFUKHKJZFFON-QGZVFWFLSA-N 0 0 451.375 4.968 20 0 JJADRN Cc1ccc(C[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c2ccccn2)cc1 ZINC001463097532 1068285297 /nfs/dbraw/zinc/28/52/97/1068285297.db2.gz RTGQLNRQQBAGFF-SFHVURJKSA-N 0 0 454.445 4.690 20 0 JJADRN COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(C)c(C(=O)OC(C)C)c3)cc2)cc1 ZINC001463095588 1068285365 /nfs/dbraw/zinc/28/53/65/1068285365.db2.gz MWGBFDAYNVLFHA-UHFFFAOYSA-N 0 0 453.560 4.714 20 0 JJADRN CCc1ccc(S(=O)(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 ZINC001463096717 1068285417 /nfs/dbraw/zinc/28/54/17/1068285417.db2.gz FVWZEWMGERXXFY-UHFFFAOYSA-N 0 0 453.539 4.779 20 0 JJADRN COc1ccc(C2(CNS(=O)(=O)c3cc(Cl)cnc3Cl)CCCCC2)cc1OC ZINC001463097013 1068285524 /nfs/dbraw/zinc/28/55/24/1068285524.db2.gz MKWDJXNJLVVJPE-UHFFFAOYSA-N 0 0 459.395 4.586 20 0 JJADRN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1C ZINC001463098197 1068285983 /nfs/dbraw/zinc/28/59/83/1068285983.db2.gz IZKBPDFBHVKJOE-UHFFFAOYSA-N 0 0 454.567 4.532 20 0 JJADRN Cc1csc(C2(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)CCCC2)n1 ZINC001463100784 1068287652 /nfs/dbraw/zinc/28/76/52/1068287652.db2.gz VOZZWACHCWCFAG-UHFFFAOYSA-N 0 0 453.786 4.754 20 0 JJADRN COc1cc(C(F)(F)F)cc(S(=O)(=O)N(Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC001463101358 1068288197 /nfs/dbraw/zinc/28/81/97/1068288197.db2.gz VZBKAURCSYXTBP-UHFFFAOYSA-N 0 0 450.482 4.809 20 0 JJADRN O=C1[C@H](NS(=O)(=O)c2cccc(Sc3ccccc3)c2)CCN1c1ccccc1Cl ZINC001463108958 1068290174 /nfs/dbraw/zinc/29/01/74/1068290174.db2.gz FJLLZXHMGMWRHA-HXUWFJFHSA-N 0 0 458.992 4.575 20 0 JJADRN CN(C(=O)CSc1ccccc1C(=O)N[C@@H]1CCOc2c(F)cccc21)C1CCCCC1 ZINC001463109682 1068290636 /nfs/dbraw/zinc/29/06/36/1068290636.db2.gz OCSWCKPESUAQMM-OAQYLSRUSA-N 0 0 456.583 4.963 20 0 JJADRN Cc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001463115103 1068291747 /nfs/dbraw/zinc/29/17/47/1068291747.db2.gz SIKZNZMJIPLMJP-HSZRJFAPSA-N 0 0 452.551 4.782 20 0 JJADRN CC[S@](=O)(=NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1cccc(Cl)c1 ZINC001463115355 1068292208 /nfs/dbraw/zinc/29/22/08/1068292208.db2.gz QAVQRFKMMWECIY-RUZDIDTESA-N 0 0 458.687 4.542 20 0 JJADRN Cc1ccc(CS(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1F ZINC001463116729 1068292758 /nfs/dbraw/zinc/29/27/58/1068292758.db2.gz GXRUQULXJFHJBX-UHFFFAOYSA-N 0 0 453.514 4.746 20 0 JJADRN COC(=O)Cn1ncc2ccc(NC(=O)[C@H](C)Sc3ccnc4cc(Cl)ccc43)cc21 ZINC001463116714 1068292789 /nfs/dbraw/zinc/29/27/89/1068292789.db2.gz KTUFCKJPVNPYRB-ZDUSSCGKSA-N 0 0 454.939 4.530 20 0 JJADRN Cc1ccc(C[C@@H](C)NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)s1 ZINC001463121094 1068294566 /nfs/dbraw/zinc/29/45/66/1068294566.db2.gz DSVGAZSGUIOLPA-LLVKDONJSA-N 0 0 457.440 4.852 20 0 JJADRN Cc1cc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)nn1-c1ccc(F)cc1 ZINC001463125281 1068295609 /nfs/dbraw/zinc/29/56/09/1068295609.db2.gz YTDWZGZPUKPHTE-IBGZPJMESA-N 0 0 458.331 4.766 20 0 JJADRN Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001463125626 1068296178 /nfs/dbraw/zinc/29/61/78/1068296178.db2.gz VSZPUZNBRMLFGN-INIZCTEOSA-N 0 0 457.821 4.700 20 0 JJADRN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC001463126219 1068296215 /nfs/dbraw/zinc/29/62/15/1068296215.db2.gz LKBAPQZLDQLSFM-RXVVDRJESA-N 0 0 450.000 4.980 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC001463127721 1068296813 /nfs/dbraw/zinc/29/68/13/1068296813.db2.gz PSEBCRQTRQKGEB-QLJPJBMISA-N 0 0 453.185 4.810 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC001463129277 1068297162 /nfs/dbraw/zinc/29/71/62/1068297162.db2.gz JGGCBKUQCDJMJV-LJQANCHMSA-N 0 0 455.480 4.941 20 0 JJADRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001463130942 1068297346 /nfs/dbraw/zinc/29/73/46/1068297346.db2.gz WWRDDRMNZQMIFU-QLJPJBMISA-N 0 0 453.185 4.810 20 0 JJADRN CSc1ccc(Br)cc1CCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC001463129010 1068297401 /nfs/dbraw/zinc/29/74/01/1068297401.db2.gz XTLGYNDTIVLZAM-UHFFFAOYSA-N 0 0 452.324 4.607 20 0 JJADRN COC(=O)c1cc(C)ccc1S(=O)(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001463130974 1068297438 /nfs/dbraw/zinc/29/74/38/1068297438.db2.gz CWRRAWKSTDXECH-QGZVFWFLSA-N 0 0 458.605 4.904 20 0 JJADRN COCC(=O)N1CCCc2ccc(NC(=O)c3cccnc3SCC3CCCCC3)cc21 ZINC001463132299 1068297841 /nfs/dbraw/zinc/29/78/41/1068297841.db2.gz HPXSVLZCLRSLPT-UHFFFAOYSA-N 0 0 453.608 4.932 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)NCCCCSc2ccccc2Br)c1 ZINC001463132869 1068297935 /nfs/dbraw/zinc/29/79/35/1068297935.db2.gz JKFXCSNGVLLTDI-UHFFFAOYSA-N 0 0 456.427 4.893 20 0 JJADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(Cc2nc(C)no2)cc1 ZINC001463133511 1068298543 /nfs/dbraw/zinc/29/85/43/1068298543.db2.gz KXEPBBMIBHTICP-UHFFFAOYSA-N 0 0 450.495 4.982 20 0 JJADRN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463139803 1068300161 /nfs/dbraw/zinc/30/01/61/1068300161.db2.gz ZWTQAZINPVXVEP-VIFPVBQESA-N 0 0 454.663 4.851 20 0 JJADRN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001463138978 1068300253 /nfs/dbraw/zinc/30/02/53/1068300253.db2.gz VULGSMHZMMZPGF-VIFPVBQESA-N 0 0 454.663 4.851 20 0 JJADRN O=C(Nc1cccc(NC(=O)c2ncnc3ccsc32)c1)c1ccc(Br)cc1 ZINC001463141485 1068300511 /nfs/dbraw/zinc/30/05/11/1068300511.db2.gz FPZGLIZTISSJPD-UHFFFAOYSA-N 0 0 453.321 4.958 20 0 JJADRN Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)ccc1N1CCOCC1=O ZINC001463141704 1068300796 /nfs/dbraw/zinc/30/07/96/1068300796.db2.gz ICDYPPSTMCFYOE-UHFFFAOYSA-N 0 0 452.942 4.573 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001463144051 1068301770 /nfs/dbraw/zinc/30/17/70/1068301770.db2.gz NELMHTOMZKHYMT-CQSZACIVSA-N 0 0 458.805 4.755 20 0 JJADRN COc1cc(CN(C)S(=O)(=O)Cc2cc(Cl)sc2Cl)c(SC)cc1OC ZINC001463147247 1068302588 /nfs/dbraw/zinc/30/25/88/1068302588.db2.gz XYQKCKBQSPCARD-UHFFFAOYSA-N 0 0 456.438 4.756 20 0 JJADRN COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C1 ZINC001463147671 1068302608 /nfs/dbraw/zinc/30/26/08/1068302608.db2.gz XXQHIVLWGJIWBL-OAHLLOKOSA-N 0 0 456.391 4.848 20 0 JJADRN CSc1ncc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)n1-c1ccc(F)cc1 ZINC001463146901 1068302676 /nfs/dbraw/zinc/30/26/76/1068302676.db2.gz HGCYSJAFASGXER-HXUWFJFHSA-N 0 0 455.555 4.855 20 0 JJADRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCc3cc(Br)c(F)cc3C2)cc1 ZINC001463151711 1068305015 /nfs/dbraw/zinc/30/50/15/1068305015.db2.gz YGUORAVEJYQPRZ-GFCCVEGCSA-N 0 0 451.361 4.612 20 0 JJADRN COc1ccc(Cn2cc(C(=O)Nc3cc(F)ccc3N3CCC(C)CC3)cn2)cc1OC ZINC001463152924 1068305217 /nfs/dbraw/zinc/30/52/17/1068305217.db2.gz BAHLFEDCLWEBSK-UHFFFAOYSA-N 0 0 452.530 4.576 20 0 JJADRN CC[C@@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)C(C)(C)c1ccccc1 ZINC001463153625 1068305263 /nfs/dbraw/zinc/30/52/63/1068305263.db2.gz QLEXXKZQWQDLDM-NHCUHLMSSA-N 0 0 450.442 4.982 20 0 JJADRN COc1cccc(Oc2ncccc2CNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC001463159476 1068306601 /nfs/dbraw/zinc/30/66/01/1068306601.db2.gz YJHDQDDAKOBVNT-UHFFFAOYSA-N 0 0 452.454 4.688 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)o1 ZINC001463160490 1068307168 /nfs/dbraw/zinc/30/71/68/1068307168.db2.gz JRMVLNQUYXMQTA-HKUYNNGSSA-N 0 0 453.988 4.963 20 0 JJADRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)o1 ZINC001463160493 1068307190 /nfs/dbraw/zinc/30/71/90/1068307190.db2.gz JRMVLNQUYXMQTA-MJGOQNOKSA-N 0 0 453.988 4.963 20 0 JJADRN COc1ccccc1[C@H](NS(=O)(=O)CCc1noc2ccccc12)c1ccccc1Cl ZINC001463167908 1068308258 /nfs/dbraw/zinc/30/82/58/1068308258.db2.gz MVVNYWQOHUIMBH-HSZRJFAPSA-N 0 0 456.951 4.741 20 0 JJADRN O=C(Nc1ccc(I)c(Cl)c1)c1cccc(Oc2cnccn2)c1 ZINC001463168306 1068308387 /nfs/dbraw/zinc/30/83/87/1068308387.db2.gz OBIHPCDZVYDDKN-UHFFFAOYSA-N 0 0 451.651 4.779 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)CCc1noc2ccccc12)c1ccccc1Cl ZINC001463167909 1068308505 /nfs/dbraw/zinc/30/85/05/1068308505.db2.gz MVVNYWQOHUIMBH-QHCPKHFHSA-N 0 0 456.951 4.741 20 0 JJADRN O=S(=O)(C[C@H]1CCCC2(CCC2)O1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001463174794 1068309667 /nfs/dbraw/zinc/30/96/67/1068309667.db2.gz NKPVPXHINIVJKH-LJQANCHMSA-N 0 0 456.446 4.672 20 0 JJADRN C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)Oc1ccc(Cl)cc1 ZINC001463173392 1068309900 /nfs/dbraw/zinc/30/99/00/1068309900.db2.gz IEFXZMSOBKFOSY-CQSZACIVSA-N 0 0 455.910 4.883 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC001463181592 1068311775 /nfs/dbraw/zinc/31/17/75/1068311775.db2.gz ZWSRESZFVLQTDA-LLVKDONJSA-N 0 0 458.374 4.857 20 0 JJADRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001463182022 1068311847 /nfs/dbraw/zinc/31/18/47/1068311847.db2.gz LGUXBARNTMOUBQ-GFCCVEGCSA-N 0 0 453.377 4.707 20 0 JJADRN O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001463182456 1068312213 /nfs/dbraw/zinc/31/22/13/1068312213.db2.gz ADLFTDNGWADVGM-UHFFFAOYSA-N 0 0 452.542 4.973 20 0 JJADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC001463184747 1068312790 /nfs/dbraw/zinc/31/27/90/1068312790.db2.gz QNCUTUXNUWSJIL-ZDUSSCGKSA-N 0 0 450.885 4.565 20 0 JJADRN Cc1ccccc1O[C@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463183997 1068313102 /nfs/dbraw/zinc/31/31/02/1068313102.db2.gz COBGZDOUROBNAT-LLVKDONJSA-N 0 0 453.185 4.810 20 0 JJADRN Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC001463186157 1068313407 /nfs/dbraw/zinc/31/34/07/1068313407.db2.gz MQXMKVWBHBXTRU-SFHVURJKSA-N 0 0 452.016 4.662 20 0 JJADRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1)CCO2 ZINC001463186689 1068314207 /nfs/dbraw/zinc/31/42/07/1068314207.db2.gz LRMVFMREFIPMCX-HSZRJFAPSA-N 0 0 453.560 4.727 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC001463188438 1068314369 /nfs/dbraw/zinc/31/43/69/1068314369.db2.gz UCVKGHRUKOWHDN-SECBINFHSA-N 0 0 450.838 4.846 20 0 JJADRN CC(C)[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cnn(C)c1 ZINC001463191255 1068315729 /nfs/dbraw/zinc/31/57/29/1068315729.db2.gz LQRAOHHGQOEVHC-INIZCTEOSA-N 0 0 459.394 4.771 20 0 JJADRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2c(C)cc(C)c(Br)c2C)C1 ZINC001463197846 1068317115 /nfs/dbraw/zinc/31/71/15/1068317115.db2.gz PWDOQMVWXZHPCZ-KRWDZBQOSA-N 0 0 459.384 4.874 20 0 JJADRN CC[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)[C@@H](O)c1ccccc1F ZINC001463200837 1068318340 /nfs/dbraw/zinc/31/83/40/1068318340.db2.gz BUQUXZKSAGUCSC-UXHICEINSA-N 0 0 452.345 4.532 20 0 JJADRN O=C(N[C@@H]1CCOC12CCCCC2)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001463202539 1068318759 /nfs/dbraw/zinc/31/87/59/1068318759.db2.gz APJXXKCINFAHCO-MRXNPFEDSA-N 0 0 455.395 4.790 20 0 JJADRN COC(=O)c1cc2cc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)ccc2s1 ZINC001463205060 1068319679 /nfs/dbraw/zinc/31/96/79/1068319679.db2.gz CSUWLROAYYTERD-HXUWFJFHSA-N 0 0 454.548 4.968 20 0 JJADRN Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H](c3ccc(F)cc3F)C3CC3)cc21 ZINC001463208638 1068320551 /nfs/dbraw/zinc/32/05/51/1068320551.db2.gz YWJMXKISUCEJRI-IBGZPJMESA-N 0 0 455.324 4.649 20 0 JJADRN Cc1ccc2ccc(OC(=O)CNC(=O)Cn3ccc4ccc(Br)cc43)cc2c1 ZINC001463208993 1068320857 /nfs/dbraw/zinc/32/08/57/1068320857.db2.gz VMORDQIBAXPUGK-UHFFFAOYSA-N 0 0 451.320 4.587 20 0 JJADRN CS(=O)(=O)c1cc(C(=O)Nc2nc3ccc4scnc4c3s2)c(Cl)cc1Cl ZINC001463208523 1068320877 /nfs/dbraw/zinc/32/08/77/1068320877.db2.gz HXKLESBDDGACGW-UHFFFAOYSA-N 0 0 458.373 4.869 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)cc1 ZINC001463211527 1068321137 /nfs/dbraw/zinc/32/11/37/1068321137.db2.gz AXVGJAOPTQBAMQ-INIZCTEOSA-N 0 0 456.539 4.841 20 0 JJADRN COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)cc1 ZINC001463211529 1068321393 /nfs/dbraw/zinc/32/13/93/1068321393.db2.gz AXVGJAOPTQBAMQ-MRXNPFEDSA-N 0 0 456.539 4.841 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c2ccccc2N(C)C1=O ZINC001463212203 1068321910 /nfs/dbraw/zinc/32/19/10/1068321910.db2.gz DDZKNQBLHYTSIY-INIZCTEOSA-N 0 0 456.951 4.940 20 0 JJADRN CCOc1ccc(S(=O)(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1C(C)C ZINC001463214035 1068322547 /nfs/dbraw/zinc/32/25/47/1068322547.db2.gz JVHPDANUBACJBW-OAHLLOKOSA-N 0 0 456.402 4.717 20 0 JJADRN CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 ZINC001463215838 1068323131 /nfs/dbraw/zinc/32/31/31/1068323131.db2.gz PCIQVBJPIGOOAQ-GOSISDBHSA-N 0 0 453.560 4.921 20 0 JJADRN COc1c(F)cccc1S(=O)(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC001463219682 1068323879 /nfs/dbraw/zinc/32/38/79/1068323879.db2.gz MKGAODMMUMBTJE-HXUWFJFHSA-N 0 0 453.507 4.902 20 0 JJADRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC001463224030 1068325867 /nfs/dbraw/zinc/32/58/67/1068325867.db2.gz ZKGXHBJMJBAZQY-RRMPHLOHSA-N 0 0 457.514 4.843 20 0 JJADRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)C1 ZINC001463230297 1068328772 /nfs/dbraw/zinc/32/87/72/1068328772.db2.gz QAMUOSPYRCJNJD-GOSISDBHSA-N 0 0 458.990 4.611 20 0 JJADRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1 ZINC001463232505 1068329501 /nfs/dbraw/zinc/32/95/01/1068329501.db2.gz XKKHCBWIKYJVSM-NRFANRHFSA-N 0 0 455.580 4.628 20 0 JJADRN O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001463232285 1068329518 /nfs/dbraw/zinc/32/95/18/1068329518.db2.gz ULRRMRKNLKHHTF-UHFFFAOYSA-N 0 0 455.852 4.652 20 0 JJADRN CCOC(=O)C[C@H]1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c2ccccc21 ZINC001463232819 1068329939 /nfs/dbraw/zinc/32/99/39/1068329939.db2.gz QJLCRDJSUUGWSM-OAHLLOKOSA-N 0 0 459.568 4.886 20 0 JJADRN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001463236428 1068330482 /nfs/dbraw/zinc/33/04/82/1068330482.db2.gz JNFTYLODBZPLNC-MRXNPFEDSA-N 0 0 458.386 4.509 20 0 JJADRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCOC[C@@H]1CC1CCOCC1 ZINC001463235568 1068330519 /nfs/dbraw/zinc/33/05/19/1068330519.db2.gz VZWINSSFRIUEKL-SFHVURJKSA-N 0 0 454.514 4.795 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001546137419 1068330992 /nfs/dbraw/zinc/33/09/92/1068330992.db2.gz RGHLHUWJNCMQMW-MOPGFXCFSA-N 0 0 456.635 4.603 20 0 JJADRN O=C(NCCc1ccc(OS(=O)(=O)c2ccc(C(F)F)o2)cc1)c1ccc(Cl)cc1 ZINC001463240593 1068331818 /nfs/dbraw/zinc/33/18/18/1068331818.db2.gz QVOJSUBIIYTLCP-UHFFFAOYSA-N 0 0 455.866 4.611 20 0 JJADRN CC(C)(C)c1ccc(NC(=O)c2ccc(I)c(Br)c2)cn1 ZINC001463242475 1068332225 /nfs/dbraw/zinc/33/22/25/1068332225.db2.gz VUUPRCJIGOFTFX-UHFFFAOYSA-N 0 0 459.125 4.999 20 0 JJADRN O=C(NCCc1ccc(OS(=O)(=O)c2coc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC001463241921 1068332401 /nfs/dbraw/zinc/33/24/01/1068332401.db2.gz UESVXRQNJSVGDZ-UHFFFAOYSA-N 0 0 455.919 4.826 20 0 JJADRN COc1cc([C@H](C)NC(=O)c2nn(C)c(C(F)(F)F)c2Br)cc2ccccc21 ZINC001463241302 1068332471 /nfs/dbraw/zinc/33/24/71/1068332471.db2.gz YVYQSJTZSLWJEM-JTQLQIEISA-N 0 0 456.262 4.854 20 0 JJADRN COc1ccc(CNS(=O)(=O)c2cc3nc(Cl)ccc3s2)c(OC2CCCC2)c1 ZINC001463242504 1068332488 /nfs/dbraw/zinc/33/24/88/1068332488.db2.gz XRLSEYOLFWMOLZ-UHFFFAOYSA-N 0 0 452.985 4.758 20 0 JJADRN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccnn1[C@@H]1CCCOC1 ZINC001463245267 1068333463 /nfs/dbraw/zinc/33/34/63/1068333463.db2.gz RCFSEPKKNZWLAT-CQSZACIVSA-N 0 0 450.326 4.553 20 0 JJADRN Cc1cc2c(cc1Br)N(S(=O)(=O)c1cc(F)ccc1OC(C)C)C[C@@H](C)O2 ZINC001463246939 1068333709 /nfs/dbraw/zinc/33/37/09/1068333709.db2.gz PUUUAWSSTAMBHP-CYBMUJFWSA-N 0 0 458.349 4.660 20 0 JJADRN O=Cc1cc(F)c(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c(F)c1 ZINC001463247994 1068334063 /nfs/dbraw/zinc/33/40/63/1068334063.db2.gz CYXMJRKEXJBDPL-UHFFFAOYSA-N 0 0 453.260 4.975 20 0 JJADRN CN1C(=O)CN(C(=O)c2cc3cc(Br)ccc3o2)c2ccc(C(F)(F)F)cc21 ZINC001463254780 1068335838 /nfs/dbraw/zinc/33/58/38/1068335838.db2.gz RHTRQMBCMWBGRW-UHFFFAOYSA-N 0 0 453.214 4.837 20 0 JJADRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)co1 ZINC001463253643 1068336052 /nfs/dbraw/zinc/33/60/52/1068336052.db2.gz VXDKFJFIUWDYLN-LUAWRHEFSA-N 0 0 454.910 4.750 20 0 JJADRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)co1 ZINC001463253644 1068336068 /nfs/dbraw/zinc/33/60/68/1068336068.db2.gz VXDKFJFIUWDYLN-PKNBQFBNSA-N 0 0 454.910 4.750 20 0 JJADRN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)c1 ZINC001463255742 1068336289 /nfs/dbraw/zinc/33/62/89/1068336289.db2.gz HWNWQFVKKULDCJ-UHFFFAOYSA-N 0 0 455.963 4.798 20 0 JJADRN Cn1c(C(=O)N2CC(=O)N(C)c3cc(C(F)(F)F)ccc32)cc2cc(C(F)(F)F)ccc21 ZINC001463256400 1068336345 /nfs/dbraw/zinc/33/63/45/1068336345.db2.gz WIRALCVNONRPCR-UHFFFAOYSA-N 0 0 455.358 4.839 20 0 JJADRN COc1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)cc(Cl)c1OCC(C)C ZINC001463255482 1068336372 /nfs/dbraw/zinc/33/63/72/1068336372.db2.gz QYUPTTGMBXKOFP-UHFFFAOYSA-N 0 0 457.962 4.569 20 0 JJADRN COC(=O)C1CCC(S(=O)(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC001463254774 1068336602 /nfs/dbraw/zinc/33/66/02/1068336602.db2.gz HLTKRAMNVXPJLP-FBPXKMNZSA-N 0 0 453.963 4.562 20 0 JJADRN CCC1(Cn2c(-c3cccn3C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CCC1 ZINC001546137587 1068337372 /nfs/dbraw/zinc/33/73/72/1068337372.db2.gz YKOOGENZQWUTJC-UHFFFAOYSA-N 0 0 490.421 4.764 20 0 JJADRN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)C1 ZINC001463262697 1068337740 /nfs/dbraw/zinc/33/77/40/1068337740.db2.gz ZEAAICKGPOUWON-PBHICJAKSA-N 0 0 466.397 4.860 20 0 JJADRN CN([C@@H](c1ccc(Cl)cc1)c1cnccn1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001463264149 1068339061 /nfs/dbraw/zinc/33/90/61/1068339061.db2.gz OYQNKUCGYGNHMN-SFHVURJKSA-N 0 0 459.852 4.698 20 0 JJADRN CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)cc1 ZINC001463269199 1068339758 /nfs/dbraw/zinc/33/97/58/1068339758.db2.gz XGZHFXGMDBMOFF-UHFFFAOYSA-N 0 0 458.511 4.790 20 0 JJADRN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC001463269233 1068339780 /nfs/dbraw/zinc/33/97/80/1068339780.db2.gz XTSBMSRALCGJQG-UHFFFAOYSA-N 0 0 450.347 4.553 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)Cc2nc3ccccc3s2)c(Br)c1 ZINC001463267650 1068339851 /nfs/dbraw/zinc/33/98/51/1068339851.db2.gz OVHUBWAXSHDRIA-NSHDSACASA-N 0 0 459.818 4.930 20 0 JJADRN Cc1ccc2cccc(S(=O)(=O)NCc3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)c2n1 ZINC001463273745 1068340828 /nfs/dbraw/zinc/34/08/28/1068340828.db2.gz GOGRVAWWRKRGBA-QGZVFWFLSA-N 0 0 455.580 4.607 20 0 JJADRN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC001463273393 1068340896 /nfs/dbraw/zinc/34/08/96/1068340896.db2.gz XGWYIFWFZSTBTO-QWHCGFSZSA-N 0 0 459.395 4.773 20 0 JJADRN Cc1sc2nc(C)nc(SCC(=O)NCc3ccc(Br)cc3F)c2c1C ZINC001463273163 1068340989 /nfs/dbraw/zinc/34/09/89/1068340989.db2.gz LUPFCZHNIOBBAL-UHFFFAOYSA-N 0 0 454.390 4.927 20 0 JJADRN CCOC(=O)c1cc2cc(S(=O)(=O)Oc3cc(F)cc(Br)c3)ccc2s1 ZINC001463274310 1068341045 /nfs/dbraw/zinc/34/10/45/1068341045.db2.gz ICXVGZRQWFRJAM-UHFFFAOYSA-N 0 0 459.314 4.747 20 0 JJADRN O=C(Nc1nc2c(cc(F)cc2Br)s1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001463279500 1068342593 /nfs/dbraw/zinc/34/25/93/1068342593.db2.gz OIVZLUSUHDRLIS-ZDUSSCGKSA-N 0 0 456.243 4.608 20 0 JJADRN Cc1nc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)oc1-c1ccc(Cl)cc1 ZINC001463280099 1068343107 /nfs/dbraw/zinc/34/31/07/1068343107.db2.gz SLGBPINWANIBIK-UHFFFAOYSA-N 0 0 451.331 4.564 20 0 JJADRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CCS2 ZINC001463280268 1068343255 /nfs/dbraw/zinc/34/32/55/1068343255.db2.gz NVWTUJCPJNMVKI-WLBKGHODSA-N 0 0 459.995 4.866 20 0 JJADRN C[C@H](NS(=O)(=O)c1c2ncsc2ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463284352 1068344014 /nfs/dbraw/zinc/34/40/14/1068344014.db2.gz VTFDXLSQJGVYNR-VIFPVBQESA-N 0 0 455.348 4.693 20 0 JJADRN C[C@@H](NS(=O)(=O)c1c2ncsc2ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463284336 1068344147 /nfs/dbraw/zinc/34/41/47/1068344147.db2.gz VTFDXLSQJGVYNR-SECBINFHSA-N 0 0 455.348 4.693 20 0 JJADRN CO[C@H](CS(=O)(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CCCC1 ZINC001463283733 1068344176 /nfs/dbraw/zinc/34/41/76/1068344176.db2.gz ZCYJMDPRHAODOF-HXUWFJFHSA-N 0 0 450.428 4.509 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@H](C)c3cccc(N4CCCC4)c3)cc2c1C ZINC001463285233 1068344335 /nfs/dbraw/zinc/34/43/35/1068344335.db2.gz MCZVYJDHVMOOIQ-QGZVFWFLSA-N 0 0 456.564 4.558 20 0 JJADRN C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC001463286436 1068344586 /nfs/dbraw/zinc/34/45/86/1068344586.db2.gz MVXHXAVFMZSPJK-GFCCVEGCSA-N 0 0 455.374 4.892 20 0 JJADRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 ZINC001546137772 1068344601 /nfs/dbraw/zinc/34/46/01/1068344601.db2.gz DHHNCZLWBMUVDA-YCRPNKLZSA-N 0 0 458.484 4.886 20 0 JJADRN CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@@H](C)c2csc3ccccc32)C1 ZINC001463287117 1068345298 /nfs/dbraw/zinc/34/52/98/1068345298.db2.gz LXHFBHASOIIQEK-FXJWSJNKSA-N 0 0 452.576 4.895 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001463289354 1068345771 /nfs/dbraw/zinc/34/57/71/1068345771.db2.gz VTBOTKRLMYUQKO-HXUWFJFHSA-N 0 0 456.377 4.948 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2cc(Br)sc2Cl)c(OCC2CC2)c1 ZINC001463290216 1068346228 /nfs/dbraw/zinc/34/62/28/1068346228.db2.gz RNWCHPUEBWJFQR-UHFFFAOYSA-N 0 0 450.807 4.740 20 0 JJADRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Br)o1)[C@H](C1CCCCC1)C2 ZINC001463292652 1068347167 /nfs/dbraw/zinc/34/71/67/1068347167.db2.gz ATWNDUIBIQXVBS-SFHVURJKSA-N 0 0 454.386 4.747 20 0 JJADRN CSc1ccc(Oc2ccc(S(=O)(=O)NCCC(=O)OCc3ccccc3)cc2)cc1 ZINC001463298366 1068349125 /nfs/dbraw/zinc/34/91/25/1068349125.db2.gz WFEJJURDWLETKM-UHFFFAOYSA-N 0 0 457.573 4.613 20 0 JJADRN Cc1sc(CCNS(=O)(=O)c2ccc(C)cc2Br)nc1-c1ccccc1 ZINC001463299362 1068349160 /nfs/dbraw/zinc/34/91/60/1068349160.db2.gz KKXQNEBXMLYNRC-UHFFFAOYSA-N 0 0 451.411 4.710 20 0 JJADRN COc1ccccc1[C@@H](NS(=O)(=O)c1c(C)sc(C)c1Br)c1ccco1 ZINC001463301823 1068350074 /nfs/dbraw/zinc/35/00/74/1068350074.db2.gz KIUBHEMXRCIWTE-QGZVFWFLSA-N 0 0 456.383 4.797 20 0 JJADRN Cc1ccc(CNS(=O)(=O)c2ccc(Br)nc2F)c(OCCCC(C)C)c1 ZINC001463304834 1068350501 /nfs/dbraw/zinc/35/05/01/1068350501.db2.gz CZDYZOMMAKIAKE-UHFFFAOYSA-N 0 0 459.381 4.585 20 0 JJADRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC001463310071 1068351383 /nfs/dbraw/zinc/35/13/83/1068351383.db2.gz SPQSXSWWFCGZCI-VLIAUNLRSA-N 0 0 458.407 4.960 20 0 JJADRN Cc1c(Cl)cccc1N1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC001463311019 1068351426 /nfs/dbraw/zinc/35/14/26/1068351426.db2.gz RDOJKNGLCATCMJ-UHFFFAOYSA-N 0 0 451.792 4.919 20 0 JJADRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC001463310064 1068351608 /nfs/dbraw/zinc/35/16/08/1068351608.db2.gz SPQSXSWWFCGZCI-JLTOFOAXSA-N 0 0 458.407 4.960 20 0 JJADRN Cn1cc(S(=O)(=O)N2CC3(CCCC3)c3cc(Br)ccc32)c(C(C)(C)C)n1 ZINC001463310639 1068352183 /nfs/dbraw/zinc/35/21/83/1068352183.db2.gz XGTWJLOAOZTMHO-UHFFFAOYSA-N 0 0 452.418 4.501 20 0 JJADRN Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3cc(Br)cc(N(C)C)c3)cc12 ZINC001463310674 1068352285 /nfs/dbraw/zinc/35/22/85/1068352285.db2.gz UIDWFIISCRMJIU-UHFFFAOYSA-N 0 0 450.340 4.810 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC001463312081 1068352646 /nfs/dbraw/zinc/35/26/46/1068352646.db2.gz YJZMSNNXIORYIM-IBGZPJMESA-N 0 0 459.942 4.949 20 0 JJADRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2OC(C)C)c1 ZINC001463314854 1068353082 /nfs/dbraw/zinc/35/30/82/1068353082.db2.gz OBXVFIBDFREIAH-QHCPKHFHSA-N 0 0 457.567 4.846 20 0 JJADRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001463315468 1068353183 /nfs/dbraw/zinc/35/31/83/1068353183.db2.gz DMOVZDSRULNJHA-ZDUSSCGKSA-N 0 0 455.908 4.941 20 0 JJADRN CCN([C@@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1C(=O)OC ZINC001463314559 1068353372 /nfs/dbraw/zinc/35/33/72/1068353372.db2.gz AUVAPACCUJURAL-SFHVURJKSA-N 0 0 453.560 4.921 20 0 JJADRN CCOc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c(C(=O)OC)c1F ZINC001463315746 1068353941 /nfs/dbraw/zinc/35/39/41/1068353941.db2.gz AZWJPTGAIFBQGM-UHFFFAOYSA-N 0 0 459.905 4.648 20 0 JJADRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1c2c(nn1C)CCCC2 ZINC001463319756 1068354449 /nfs/dbraw/zinc/35/44/49/1068354449.db2.gz KOGRHGVKGPGCQN-GOSISDBHSA-N 0 0 453.608 4.746 20 0 JJADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001463320573 1068355081 /nfs/dbraw/zinc/35/50/81/1068355081.db2.gz XQXNGAXRUMSTHD-LJQANCHMSA-N 0 0 451.375 4.621 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)ccc1C ZINC001463321614 1068355474 /nfs/dbraw/zinc/35/54/74/1068355474.db2.gz RDVLSKZQBIZACY-QGZVFWFLSA-N 0 0 458.605 4.985 20 0 JJADRN CC[C@@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC001463322924 1068355969 /nfs/dbraw/zinc/35/59/69/1068355969.db2.gz UUPKFZHPLPPXDW-OAHLLOKOSA-N 0 0 456.402 4.730 20 0 JJADRN CC[C@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC001463322919 1068356025 /nfs/dbraw/zinc/35/60/25/1068356025.db2.gz UUPKFZHPLPPXDW-HNNXBMFYSA-N 0 0 456.402 4.730 20 0 JJADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)C1 ZINC001463323239 1068356631 /nfs/dbraw/zinc/35/66/31/1068356631.db2.gz DRRZFHIHGGYNHZ-KGLIPLIRSA-N 0 0 459.033 4.869 20 0 JJADRN O=S(=O)(Cc1ccc(Br)cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463327415 1068357506 /nfs/dbraw/zinc/35/75/06/1068357506.db2.gz ZGHDCIHAOPDFAJ-IBGZPJMESA-N 0 0 451.773 4.707 20 0 JJADRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001463327263 1068357668 /nfs/dbraw/zinc/35/76/68/1068357668.db2.gz WUHMXADSEJPALV-QFIPXVFZSA-N 0 0 459.502 4.765 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1C(C)C ZINC001463328690 1068358231 /nfs/dbraw/zinc/35/82/31/1068358231.db2.gz NDEOWQRZURDFCW-QFIPXVFZSA-N 0 0 459.608 4.502 20 0 JJADRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)Cc1nsc2ccccc12 ZINC001463330330 1068358661 /nfs/dbraw/zinc/35/86/61/1068358661.db2.gz VFOSPISWRBHQHA-UHFFFAOYSA-N 0 0 451.592 4.885 20 0 JJADRN Cc1ccc(OC(F)F)c(CNS(=O)(=O)Cc2cccc(Cl)c2Br)c1 ZINC001463333188 1068359155 /nfs/dbraw/zinc/35/91/55/1068359155.db2.gz YCGOMMWMSOWKIK-UHFFFAOYSA-N 0 0 454.720 4.632 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3cccc(Cl)c3)[nH]c1=O)C2 ZINC001463332949 1068359222 /nfs/dbraw/zinc/35/92/22/1068359222.db2.gz ILDKAALXAQYDDP-QGTPRVQTSA-N 0 0 457.958 4.625 20 0 JJADRN COC(=O)c1c(C)cc(NC(=O)c2cccnc2Oc2cccc(Br)c2)nc1C ZINC001463338273 1068361064 /nfs/dbraw/zinc/36/10/64/1068361064.db2.gz ZINLXDDDALBYNC-UHFFFAOYSA-N 0 0 456.296 4.687 20 0 JJADRN CN1CCN(C(=O)C2(c3ccccc3Br)CC2)c2cc(Br)ccc21 ZINC001463340155 1068361983 /nfs/dbraw/zinc/36/19/83/1068361983.db2.gz BXUHFVYWJSIFQN-UHFFFAOYSA-N 0 0 450.174 4.726 20 0 JJADRN O=S(=O)(NCc1ccc(O)c(Br)c1)c1cccc(Sc2ccccc2)c1 ZINC001463340408 1068362463 /nfs/dbraw/zinc/36/24/63/1068362463.db2.gz AMRBCBIMKMDSGU-UHFFFAOYSA-N 0 0 450.379 4.784 20 0 JJADRN Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001463343619 1068363657 /nfs/dbraw/zinc/36/36/57/1068363657.db2.gz CZPLZOPGINGUQG-UHFFFAOYSA-N 0 0 454.564 4.538 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@H](C)CN1Cc1ccccc1 ZINC001463343012 1068363884 /nfs/dbraw/zinc/36/38/84/1068363884.db2.gz PAFZRAKJQNLEDP-QZTJIDSGSA-N 0 0 457.665 4.877 20 0 JJADRN COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463346140 1068365786 /nfs/dbraw/zinc/36/57/86/1068365786.db2.gz UZLODHAHCYZFMN-VPSPJNPGSA-N 0 0 453.482 4.506 20 0 JJADRN COc1ccc(OCCCS(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC001463347646 1068366391 /nfs/dbraw/zinc/36/63/91/1068366391.db2.gz YGHPELIAOVSFEL-PZJWPPBQSA-N 0 0 457.514 4.739 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC001463349296 1068366774 /nfs/dbraw/zinc/36/67/74/1068366774.db2.gz ROIBKARXBNLIIT-KUHUBIRLSA-N 0 0 458.805 4.690 20 0 JJADRN O=S(=O)(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(OCc2ccccc2)c(F)c1 ZINC001463349371 1068366856 /nfs/dbraw/zinc/36/68/56/1068366856.db2.gz SKHUJMWGJDIORC-RDPSFJRHSA-N 0 0 455.551 4.851 20 0 JJADRN CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)ccc1Br ZINC001463351460 1068367557 /nfs/dbraw/zinc/36/75/57/1068367557.db2.gz YXBGVPYLUVDTEM-HNNXBMFYSA-N 0 0 450.398 4.785 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)c1 ZINC001463351201 1068367620 /nfs/dbraw/zinc/36/76/20/1068367620.db2.gz JJNBTXRGHOJPII-UHFFFAOYSA-N 0 0 453.951 4.750 20 0 JJADRN CC(C)CCOc1ccc(S(=O)(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1 ZINC001463353355 1068368232 /nfs/dbraw/zinc/36/82/32/1068368232.db2.gz DRSBSCKLYKRTHC-OAHLLOKOSA-N 0 0 458.393 4.923 20 0 JJADRN O=S(=O)(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001463354187 1068368412 /nfs/dbraw/zinc/36/84/12/1068368412.db2.gz AFQXHTIBGWLMFJ-YOEHRIQHSA-N 0 0 457.967 4.726 20 0 JJADRN COC(=O)c1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc(F)c1Cl ZINC001463354707 1068368594 /nfs/dbraw/zinc/36/85/94/1068368594.db2.gz IFBOJOFMABAJGR-MRXNPFEDSA-N 0 0 450.894 4.513 20 0 JJADRN COc1ccc(CN(C2CCCCC2)S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)cc1OC ZINC001463354440 1068368687 /nfs/dbraw/zinc/36/86/87/1068368687.db2.gz HLWDVYGIBKHJMT-UIOOFZCWSA-N 0 0 473.635 4.871 20 0 JJADRN COc1ccc2c(c1)CC[C@H](C(=O)N1CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC1)C2 ZINC001463355470 1068368992 /nfs/dbraw/zinc/36/89/92/1068368992.db2.gz IBDJALDYPODZBZ-JTHBVZDNSA-N 0 0 456.627 4.684 20 0 JJADRN O=S(=O)(NCC1(c2cccc(Br)c2)CCCC1)c1cccc2scnc21 ZINC001463355686 1068369026 /nfs/dbraw/zinc/36/90/26/1068369026.db2.gz CBBCTTHIIHNIDT-UHFFFAOYSA-N 0 0 451.411 4.849 20 0 JJADRN Cc1nc(CSc2ccc(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)cc2)cs1 ZINC001463355854 1068369600 /nfs/dbraw/zinc/36/96/00/1068369600.db2.gz FOMBSCWELLSTHQ-UHFFFAOYSA-N 0 0 452.527 4.867 20 0 JJADRN COC(=O)c1cc(NC(=O)c2cc(Cl)c(Br)cc2OC)cc(F)c1Cl ZINC001463357694 1068370221 /nfs/dbraw/zinc/37/02/21/1068370221.db2.gz QSKJGSUIXHTZJZ-UHFFFAOYSA-N 0 0 451.075 4.943 20 0 JJADRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001463363130 1068371835 /nfs/dbraw/zinc/37/18/35/1068371835.db2.gz XDVWZBBPANWWGI-SFHVURJKSA-N 0 0 452.498 4.506 20 0 JJADRN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001463363080 1068372057 /nfs/dbraw/zinc/37/20/57/1068372057.db2.gz XYFREDHNXKQMNG-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN COCc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001463364267 1068372588 /nfs/dbraw/zinc/37/25/88/1068372588.db2.gz ZOJNLCAKVHVDPW-AFMDSPMNSA-N 0 0 451.588 4.609 20 0 JJADRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001463364294 1068373115 /nfs/dbraw/zinc/37/31/15/1068373115.db2.gz ZOYGXSNOKFJZCR-UWJYYQICSA-N 0 0 455.601 4.611 20 0 JJADRN Cc1ccc(C(F)(F)F)c2c1N(C(=O)c1nn(-c3ccccc3F)c(C)cc1=O)C[C@H](C)C2 ZINC001463364462 1068373129 /nfs/dbraw/zinc/37/31/29/1068373129.db2.gz VRBSKGXKQGLHRC-CYBMUJFWSA-N 0 0 459.443 4.846 20 0 JJADRN CCC[C@](C)(NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)c1ccccc1 ZINC001463368088 1068374096 /nfs/dbraw/zinc/37/40/96/1068374096.db2.gz JQYVQSTXCISMFK-MHZLTWQESA-N 0 0 452.595 4.922 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001463370306 1068374648 /nfs/dbraw/zinc/37/46/48/1068374648.db2.gz GPFBUEYQPIQJNA-HXUWFJFHSA-N 0 0 458.396 4.570 20 0 JJADRN COc1cccc2c1CCC[C@@H](NC(=O)c1cnn(-c3ccc(Br)cc3)c1C)C2 ZINC001463370950 1068375156 /nfs/dbraw/zinc/37/51/56/1068375156.db2.gz IJYVWBNVOTZDDK-GOSISDBHSA-N 0 0 454.368 4.629 20 0 JJADRN CCC(C)(C)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cc1 ZINC001463374958 1068376035 /nfs/dbraw/zinc/37/60/35/1068376035.db2.gz NQVZZBDEDYPTSI-UHFFFAOYSA-N 0 0 453.402 4.574 20 0 JJADRN CCC1(CC)CN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)c2ccccc21 ZINC001463376042 1068376426 /nfs/dbraw/zinc/37/64/26/1068376426.db2.gz PLPLSEAPYXEILY-UHFFFAOYSA-N 0 0 451.386 4.674 20 0 JJADRN COc1ccc(Br)cc1CN(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001463376540 1068376990 /nfs/dbraw/zinc/37/69/90/1068376990.db2.gz PYFGJXGFMPCEOT-UHFFFAOYSA-N 0 0 453.185 4.726 20 0 JJADRN Cc1cnn(-c2ccc(S(=O)(=O)NCc3ccc(Sc4ccccc4)cc3)cc2F)c1 ZINC001463379403 1068377689 /nfs/dbraw/zinc/37/76/89/1068377689.db2.gz UWPQEBCZFGNZNB-UHFFFAOYSA-N 0 0 453.564 4.950 20 0 JJADRN COc1ccc([C@H](NS(=O)(=O)C2CCC(C(F)(F)F)CC2)c2ccccc2OC)cc1 ZINC001463380008 1068378008 /nfs/dbraw/zinc/37/80/08/1068378008.db2.gz CTLPRPAYDVLTRN-IAYYMHMVSA-N 0 0 457.514 4.834 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CCC1 ZINC001546138661 1068379350 /nfs/dbraw/zinc/37/93/50/1068379350.db2.gz JBFGOAHQJBXIJG-OAQYLSRUSA-N 0 0 451.537 4.759 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1Br ZINC001463385619 1068379525 /nfs/dbraw/zinc/37/95/25/1068379525.db2.gz LREOXCSWILNVJW-ZOWXZIJZSA-N 0 0 451.224 4.719 20 0 JJADRN CCCOc1ccc(S(=O)(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001463386057 1068380261 /nfs/dbraw/zinc/38/02/61/1068380261.db2.gz CKAXGMRARWVNAD-UHFFFAOYSA-N 0 0 457.423 4.725 20 0 JJADRN COC(=O)[C@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC001463385770 1068380331 /nfs/dbraw/zinc/38/03/31/1068380331.db2.gz CTWYCPDEXGOICY-GOSISDBHSA-N 0 0 455.479 4.644 20 0 JJADRN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC001463385844 1068380367 /nfs/dbraw/zinc/38/03/67/1068380367.db2.gz AITQRMVDQFWSDO-UZLBHIALSA-N 0 0 453.988 4.536 20 0 JJADRN Cc1ccc(C(=O)Nc2c(Br)cnn2C2CC2)cc1NC(=O)c1ccccc1F ZINC001463388027 1068381423 /nfs/dbraw/zinc/38/14/23/1068381423.db2.gz FZWJNZDVHXIHJY-UHFFFAOYSA-N 0 0 457.303 4.933 20 0 JJADRN Cc1ccc(CC2CCN(S(=O)(=O)c3ccc4c(c3)CC(Cl)(Cl)C4=O)CC2)cc1 ZINC001463392963 1068382299 /nfs/dbraw/zinc/38/22/99/1068382299.db2.gz NJZXSSSDQZRVNL-UHFFFAOYSA-N 0 0 452.403 4.551 20 0 JJADRN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463394998 1068382758 /nfs/dbraw/zinc/38/27/58/1068382758.db2.gz CNHCRBBOLZGKCM-AEFFLSMTSA-N 0 0 451.405 4.534 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(C)(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC001463396979 1068383834 /nfs/dbraw/zinc/38/38/34/1068383834.db2.gz UYOPRAKCOXPZFB-UHFFFAOYSA-N 0 0 457.445 4.512 20 0 JJADRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC001463401017 1068384820 /nfs/dbraw/zinc/38/48/20/1068384820.db2.gz SBSCFSKIQBRGPY-UKILVPOCSA-N 0 0 455.551 4.904 20 0 JJADRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC001463401035 1068384988 /nfs/dbraw/zinc/38/49/88/1068384988.db2.gz SCDFKKJQFNANTB-NFBKMPQASA-N 0 0 459.514 4.902 20 0 JJADRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 ZINC001463404490 1068385745 /nfs/dbraw/zinc/38/57/45/1068385745.db2.gz YDZUMUFWSIHECE-CQSZACIVSA-N 0 0 455.502 4.753 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC001463405104 1068385897 /nfs/dbraw/zinc/38/58/97/1068385897.db2.gz ADSOWZOAVZKRMQ-BMIGLBTASA-N 0 0 453.185 4.810 20 0 JJADRN CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)cc2C[C@H]1C ZINC001463407630 1068386446 /nfs/dbraw/zinc/38/64/46/1068386446.db2.gz YKTNKZNGZZKVFN-OLZOCXBDSA-N 0 0 453.391 4.599 20 0 JJADRN COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC001463408679 1068386969 /nfs/dbraw/zinc/38/69/69/1068386969.db2.gz GGSZMDVDVBHNBK-DJKHGBOQSA-N 0 0 457.979 4.885 20 0 JJADRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001463408083 1068387175 /nfs/dbraw/zinc/38/71/75/1068387175.db2.gz KITXALJGVSJJLZ-ZBEGNZNMSA-N 0 0 452.292 4.522 20 0 JJADRN CCC[C@H]1CN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CCN1Cc1ccccc1 ZINC001463409134 1068387533 /nfs/dbraw/zinc/38/75/33/1068387533.db2.gz GRHQTZHMJBVTME-QFIPXVFZSA-N 0 0 455.649 4.794 20 0 JJADRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(F)cc(F)cc2F)cc1OC ZINC001463410950 1068388847 /nfs/dbraw/zinc/38/88/47/1068388847.db2.gz KHVJHQLFEIVEDZ-AUUYWEPGSA-N 0 0 457.514 4.891 20 0 JJADRN COc1ccc(C(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC(F)F ZINC001463412691 1068389062 /nfs/dbraw/zinc/38/90/62/1068389062.db2.gz QTTOFSPQUDQVKU-QHCPKHFHSA-N 0 0 454.514 4.692 20 0 JJADRN O=C(Nc1cccc(N2C(=O)CCC2=O)c1)c1c(F)ccc(C(F)(F)F)c1Br ZINC001463411898 1068389328 /nfs/dbraw/zinc/38/93/28/1068389328.db2.gz KHVQEZVHQBINJA-UHFFFAOYSA-N 0 0 459.193 4.513 20 0 JJADRN Cc1ccc(Br)c2c1N(S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CCC2 ZINC001463413290 1068389606 /nfs/dbraw/zinc/38/96/06/1068389606.db2.gz VNUBWJYNVYHVSG-UHFFFAOYSA-N 0 0 450.276 4.640 20 0 JJADRN NC(=O)NC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1 ZINC001463414975 1068390876 /nfs/dbraw/zinc/39/08/76/1068390876.db2.gz QZPTWBYIRMRMFE-UHFFFAOYSA-N 0 0 451.529 4.847 20 0 JJADRN COCCOc1c(Cl)cc(S(=O)(=O)N(C)CCc2ccc(Cl)cc2)cc1Cl ZINC001463420819 1068392061 /nfs/dbraw/zinc/39/20/61/1068392061.db2.gz FRVLWMVHBKFEEN-UHFFFAOYSA-N 0 0 452.787 4.535 20 0 JJADRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)n1C ZINC001463422314 1068392311 /nfs/dbraw/zinc/39/23/11/1068392311.db2.gz JQCLEERDIPMTRD-LJQANCHMSA-N 0 0 455.942 4.807 20 0 JJADRN O=S(=O)(Oc1cc(Cl)cnc1Br)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001463421216 1068392348 /nfs/dbraw/zinc/39/23/48/1068392348.db2.gz CXRUQOYWWMMIRF-UHFFFAOYSA-N 0 0 451.047 4.937 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1Br ZINC001463425331 1068393204 /nfs/dbraw/zinc/39/32/04/1068393204.db2.gz NSAMSWFRAGMIPV-KRWDZBQOSA-N 0 0 454.386 4.676 20 0 JJADRN O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001463428859 1068394290 /nfs/dbraw/zinc/39/42/90/1068394290.db2.gz MRXSMSFIMKRDCH-MJKGWSOKSA-N 0 0 463.949 4.582 20 0 JJADRN Cc1cc(F)ccc1S(=O)(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC001463431022 1068394702 /nfs/dbraw/zinc/39/47/02/1068394702.db2.gz ASZFHUPAEFHKET-UHFFFAOYSA-N 0 0 457.148 4.561 20 0 JJADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CCC1 ZINC001546138983 1068395298 /nfs/dbraw/zinc/39/52/98/1068395298.db2.gz UQMJSZUUORCFQX-NRFANRHFSA-N 0 0 460.626 4.885 20 0 JJADRN C[C@@H](NS(=O)(=O)N(C)Cc1c(F)cccc1Cl)c1cc(Cl)ccc1OC(F)F ZINC001463433317 1068395686 /nfs/dbraw/zinc/39/56/86/1068395686.db2.gz IFIBGYWYSIICBN-SNVBAGLBSA-N 0 0 457.301 4.761 20 0 JJADRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC001463433755 1068396033 /nfs/dbraw/zinc/39/60/33/1068396033.db2.gz KRUUCYPHVCOCQG-WOJBJXKFSA-N 0 0 455.498 4.757 20 0 JJADRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC001463433942 1068396256 /nfs/dbraw/zinc/39/62/56/1068396256.db2.gz KTLLXDORDAKNEL-SNVBAGLBSA-N 0 0 453.185 4.674 20 0 JJADRN O=C(CCc1cc(Br)c(Br)s1)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001463438409 1068397594 /nfs/dbraw/zinc/39/75/94/1068397594.db2.gz ZPDYKOUKINUPGB-RCOVLWMOSA-N 0 0 453.093 4.707 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCC(c2ccccn2)CC1 ZINC001463441814 1068398359 /nfs/dbraw/zinc/39/83/59/1068398359.db2.gz DQZYWQRHGFMMMK-UHFFFAOYSA-N 0 0 450.185 4.719 20 0 JJADRN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC001463442550 1068398775 /nfs/dbraw/zinc/39/87/75/1068398775.db2.gz FTFCFIZCJBLEND-UHFFFAOYSA-N 0 0 452.661 4.581 20 0 JJADRN CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1Cl ZINC001463444081 1068399356 /nfs/dbraw/zinc/39/93/56/1068399356.db2.gz FOPKIYALZMEYIT-XMMPIXPASA-N 0 0 454.979 4.829 20 0 JJADRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc(C)c(I)c1 ZINC001463448544 1068400370 /nfs/dbraw/zinc/40/03/70/1068400370.db2.gz IILZHKGNSRDSDW-GFCCVEGCSA-N 0 0 454.377 4.843 20 0 JJADRN Cc1nc2ccc(S(=O)(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)cc2s1 ZINC001463448937 1068400375 /nfs/dbraw/zinc/40/03/75/1068400375.db2.gz ZCUREHUBOOZTLE-UHFFFAOYSA-N 0 0 450.010 4.903 20 0 JJADRN O=S(=O)(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)c(Cl)c1 ZINC001463448815 1068400388 /nfs/dbraw/zinc/40/03/88/1068400388.db2.gz RRODAYMIJBHPJK-SFHVURJKSA-N 0 0 455.736 4.705 20 0 JJADRN CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H](CC)c3ccc(C)c(F)c3)cc2c1C ZINC001463448851 1068400418 /nfs/dbraw/zinc/40/04/18/1068400418.db2.gz FXGSSOLKYUELQG-SFHVURJKSA-N 0 0 450.557 4.659 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)C3(Cc4ccc(Cl)cc4)CC3)n2)C1 ZINC001463450521 1068400934 /nfs/dbraw/zinc/40/09/34/1068400934.db2.gz BMGWLNXUSGTCKW-QGZVFWFLSA-N 0 0 456.974 4.816 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)c(F)cc1Br ZINC001463451571 1068401721 /nfs/dbraw/zinc/40/17/21/1068401721.db2.gz OFBXUNXSKRBMNA-SECBINFHSA-N 0 0 456.255 4.677 20 0 JJADRN Cc1cn(CC(=O)N(CC(F)(F)F)C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12 ZINC001463453647 1068403501 /nfs/dbraw/zinc/40/35/01/1068403501.db2.gz PYEHRDYZWATTPX-UHFFFAOYSA-N 0 0 453.505 4.740 20 0 JJADRN O=C(Nc1ccc(Br)c(Cl)c1F)c1cn2c(Br)cnc2s1 ZINC001463454801 1068404347 /nfs/dbraw/zinc/40/43/47/1068404347.db2.gz WMGJOXMKNBAVGZ-UHFFFAOYSA-N 0 0 453.518 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)C1 ZINC001463456075 1068404916 /nfs/dbraw/zinc/40/49/16/1068404916.db2.gz YELVLPRHCLHULY-KRWDZBQOSA-N 0 0 454.571 4.516 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 ZINC001463455905 1068404928 /nfs/dbraw/zinc/40/49/28/1068404928.db2.gz WWDZUYQRDRPLPX-MRXNPFEDSA-N 0 0 451.552 4.577 20 0 JJADRN CC[C@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)c1ccc(C)c(F)c1 ZINC001463457816 1068405941 /nfs/dbraw/zinc/40/59/41/1068405941.db2.gz YJFVHPZOMOQTGB-KRWDZBQOSA-N 0 0 457.365 4.593 20 0 JJADRN Cc1ncc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1Br ZINC001463462401 1068407585 /nfs/dbraw/zinc/40/75/85/1068407585.db2.gz QPNOABWHYDWTMC-QGZVFWFLSA-N 0 0 453.178 4.691 20 0 JJADRN C[C@H]1Cc2cc(-c3ccc(CNS(=O)(=O)CCCOCc4ccccc4)cc3)ccc2O1 ZINC001463462717 1068407742 /nfs/dbraw/zinc/40/77/42/1068407742.db2.gz IRLXNRHGIGVASQ-FQEVSTJZSA-N 0 0 451.588 4.703 20 0 JJADRN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc(Br)cc1 ZINC001463463747 1068408356 /nfs/dbraw/zinc/40/83/56/1068408356.db2.gz XWNVENCFFHCFAS-IBGZPJMESA-N 0 0 454.386 4.545 20 0 JJADRN C[C@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC001463464591 1068409152 /nfs/dbraw/zinc/40/91/52/1068409152.db2.gz DANHQMHJCKJJOK-CUBQBAPOSA-N 0 0 457.574 4.573 20 0 JJADRN O=S(=O)(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC001463466917 1068410843 /nfs/dbraw/zinc/41/08/43/1068410843.db2.gz OYTXZVJXJIUKNJ-LJQANCHMSA-N 0 0 453.894 4.620 20 0 JJADRN CCC(F)(F)C(C)(C)CS(=O)(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC001463468961 1068411632 /nfs/dbraw/zinc/41/16/32/1068411632.db2.gz IYYUZJLBJQXONC-UHFFFAOYSA-N 0 0 452.873 4.514 20 0 JJADRN Cc1cc(S(=O)(=O)N(CCCOc2ccccc2)C2CCOCC2)ccc1C(F)(F)F ZINC001463471125 1068412974 /nfs/dbraw/zinc/41/29/74/1068412974.db2.gz KUTZKHVSIPTKJS-UHFFFAOYSA-N 0 0 457.514 4.653 20 0 JJADRN Cc1cc2cccnc2c(S(=O)(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC001463471823 1068412992 /nfs/dbraw/zinc/41/29/92/1068412992.db2.gz MUZVPZSATDAZSP-UHFFFAOYSA-N 0 0 451.773 4.706 20 0 JJADRN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC001463474043 1068413710 /nfs/dbraw/zinc/41/37/10/1068413710.db2.gz VCXDUYFJBNADLR-HNNXBMFYSA-N 0 0 458.805 4.891 20 0 JJADRN O=S(=O)(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(OC(F)F)c(F)c1 ZINC001463475652 1068414275 /nfs/dbraw/zinc/41/42/75/1068414275.db2.gz XBPIWUDXMOLJJN-SFHVURJKSA-N 0 0 456.873 4.738 20 0 JJADRN COc1ccc(Cn2cc(C(=O)NC[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)cn2)cc1OC ZINC001463477063 1068414288 /nfs/dbraw/zinc/41/42/88/1068414288.db2.gz NEQQKDJITQJLHD-HNAYVOBHSA-N 0 0 460.361 4.789 20 0 JJADRN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463477155 1068414415 /nfs/dbraw/zinc/41/44/15/1068414415.db2.gz QOLVVNFGPHEOON-LDQXTDLNSA-N 0 0 465.377 4.545 20 0 JJADRN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001463477172 1068415023 /nfs/dbraw/zinc/41/50/23/1068415023.db2.gz RLDZAMXLUJEKMH-IINYFYTJSA-N 0 0 456.255 4.521 20 0 JJADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463478168 1068415059 /nfs/dbraw/zinc/41/50/59/1068415059.db2.gz SKNRXVAQZGBHEK-NYSBEXSLSA-N 0 0 461.389 4.917 20 0 JJADRN O=S(=O)(NC1(Cc2ccccc2)CCCC1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC001463489505 1068416976 /nfs/dbraw/zinc/41/69/76/1068416976.db2.gz PCHHBSNVJALHOH-UHFFFAOYSA-N 0 0 459.505 4.937 20 0 JJADRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC001463490024 1068417634 /nfs/dbraw/zinc/41/76/34/1068417634.db2.gz CBNQRSOELLMILZ-NZQKXSOJSA-N 0 0 457.636 4.931 20 0 JJADRN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(C(F)F)nc3)cc2)c1C(F)(F)F ZINC001463494625 1068418573 /nfs/dbraw/zinc/41/85/73/1068418573.db2.gz ZILLTGPTMQIKEY-UHFFFAOYSA-N 0 0 454.355 4.653 20 0 JJADRN COc1cc(CNC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc(Cl)c1OC ZINC001463496480 1068419823 /nfs/dbraw/zinc/41/98/23/1068419823.db2.gz NHINDSKZUAFCRX-UHFFFAOYSA-N 0 0 452.938 4.526 20 0 JJADRN CCc1ccc(-c2nc(C(=O)NCc3cccc(S(=O)(=O)C(F)(F)F)c3)cs2)cc1 ZINC001463503671 1068421036 /nfs/dbraw/zinc/42/10/36/1068421036.db2.gz SBKIKWNSQKYBDC-UHFFFAOYSA-N 0 0 454.495 4.596 20 0 JJADRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC001463504279 1068421141 /nfs/dbraw/zinc/42/11/41/1068421141.db2.gz KMOQISBSWXTUIN-OAQYLSRUSA-N 0 0 459.999 4.522 20 0 JJADRN CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC001463502930 1068421179 /nfs/dbraw/zinc/42/11/79/1068421179.db2.gz GTVIOSHZMAZGDK-MRXNPFEDSA-N 0 0 454.392 4.636 20 0 JJADRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1cc(Br)c(Cl)cc1OC ZINC001463505011 1068421964 /nfs/dbraw/zinc/42/19/64/1068421964.db2.gz JATUZMCWYTVOLQ-UHFFFAOYSA-N 0 0 456.720 4.937 20 0 JJADRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001546139570 1068423936 /nfs/dbraw/zinc/42/39/36/1068423936.db2.gz KYJIKKYIMNTVID-HXOBKFHXSA-N 0 0 451.567 4.607 20 0 JJADRN O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)cc1)N1CCO[C@@H](COc2ccccc2)C1 ZINC001463512753 1068424514 /nfs/dbraw/zinc/42/45/14/1068424514.db2.gz OBCHXRBFZKTESR-JOCHJYFZSA-N 0 0 459.951 4.601 20 0 JJADRN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Oc1cc(C)c(Br)c(C)c1 ZINC001463514910 1068425318 /nfs/dbraw/zinc/42/53/18/1068425318.db2.gz VNLOMYKXVHHFKW-UHFFFAOYSA-N 0 0 455.248 4.741 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC001463520822 1068426709 /nfs/dbraw/zinc/42/67/09/1068426709.db2.gz JIWIXXQLOOJXGC-KRWDZBQOSA-N 0 0 453.514 4.505 20 0 JJADRN O=c1[nH]c2ccc(S(=O)(=O)Oc3cc(Cl)c(Br)cc3Cl)cc2s1 ZINC001463520044 1068426723 /nfs/dbraw/zinc/42/67/23/1068426723.db2.gz PSHQOUOPSHWPHA-UHFFFAOYSA-N 0 0 455.138 4.839 20 0 JJADRN O=C(N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001463522932 1068427361 /nfs/dbraw/zinc/42/73/61/1068427361.db2.gz BQBQQCCDFRXNOS-DEOSSOPVSA-N 0 0 455.480 4.597 20 0 JJADRN CC(C)C[C@H](C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc(Cl)cc1 ZINC001463528266 1068428776 /nfs/dbraw/zinc/42/87/76/1068428776.db2.gz LLNZERVJCZUGJJ-XLIONFOSSA-N 0 0 455.986 4.692 20 0 JJADRN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001463530790 1068429291 /nfs/dbraw/zinc/42/92/91/1068429291.db2.gz ZEVXLBQROKKZOI-VIFPVBQESA-N 0 0 456.255 4.655 20 0 JJADRN CCCCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2Br)cc1Cl ZINC001463529907 1068429417 /nfs/dbraw/zinc/42/94/17/1068429417.db2.gz NDAKMUQADCEEHA-UHFFFAOYSA-N 0 0 450.757 4.899 20 0 JJADRN CC[C@H](CN(C)S(=O)(=O)c1onc(C2CC2)c1Cl)Oc1ccc(Cl)c(Cl)c1 ZINC001463532676 1068430079 /nfs/dbraw/zinc/43/00/79/1068430079.db2.gz LDFFAQVTRZYEHD-LLVKDONJSA-N 0 0 453.775 4.990 20 0 JJADRN CC(C)[C@@H](NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)c1ccc(Cl)cc1F ZINC001463532408 1068430111 /nfs/dbraw/zinc/43/01/11/1068430111.db2.gz DFZUGZZYFVLANX-SPLOXXLWSA-N 0 0 459.942 4.709 20 0 JJADRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001463531849 1068430215 /nfs/dbraw/zinc/43/02/15/1068430215.db2.gz FNSOSDYXZVWNMF-HNNXBMFYSA-N 0 0 451.514 4.649 20 0 JJADRN CC1(C)CCC[C@@H](CS(=O)(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)O1 ZINC001463533376 1068430856 /nfs/dbraw/zinc/43/08/56/1068430856.db2.gz VUCNVVDDEPMZFS-KRWDZBQOSA-N 0 0 456.358 4.693 20 0 JJADRN O=S(=O)(Oc1ccc(F)c(C(F)(F)F)c1)C1=Cc2cc(Br)ccc2OC1 ZINC001463533283 1068430911 /nfs/dbraw/zinc/43/09/11/1068430911.db2.gz UPLCTFAFECKNIQ-UHFFFAOYSA-N 0 0 453.207 4.749 20 0 JJADRN CC1(C)CCC[C@H](CS(=O)(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)O1 ZINC001463533377 1068431018 /nfs/dbraw/zinc/43/10/18/1068431018.db2.gz VUCNVVDDEPMZFS-QGZVFWFLSA-N 0 0 456.358 4.693 20 0 JJADRN COC(=O)c1cc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc32)ccc1F ZINC001463533932 1068431594 /nfs/dbraw/zinc/43/15/94/1068431594.db2.gz CMYZLXMBKXMDSG-UHFFFAOYSA-N 0 0 450.495 4.643 20 0 JJADRN C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001463535594 1068432134 /nfs/dbraw/zinc/43/21/34/1068432134.db2.gz KFVCEWZYBLYBED-WCBMZHEXSA-N 0 0 454.230 4.819 20 0 JJADRN Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(Sc2ccccc2)n1 ZINC001463536108 1068432204 /nfs/dbraw/zinc/43/22/04/1068432204.db2.gz NQDWFZSJMAHKAK-UHFFFAOYSA-N 0 0 450.539 4.670 20 0 JJADRN C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)c2ccccc2N1Cc1ccccc1 ZINC001463536007 1068432213 /nfs/dbraw/zinc/43/22/13/1068432213.db2.gz MHTKBRZKKMGAFZ-CQSZACIVSA-N 0 0 450.457 4.847 20 0 JJADRN CC(C)(CNS(=O)(=O)c1c(F)cccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463540327 1068434554 /nfs/dbraw/zinc/43/45/54/1068434554.db2.gz PFMXAXRPODFZLH-UHFFFAOYSA-N 0 0 454.283 4.863 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1 ZINC001463539845 1068434568 /nfs/dbraw/zinc/43/45/68/1068434568.db2.gz MMTMVJPZIPDGBI-RUZDIDTESA-N 0 0 453.587 4.647 20 0 JJADRN CCOC(=O)[C@@H]1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC001463540166 1068434628 /nfs/dbraw/zinc/43/46/28/1068434628.db2.gz OQCVSMIHEIDPAA-LJQANCHMSA-N 0 0 455.498 4.525 20 0 JJADRN COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl ZINC001463544209 1068435853 /nfs/dbraw/zinc/43/58/53/1068435853.db2.gz VJPYGFHEYAHBKU-UHFFFAOYSA-N 0 0 458.967 4.730 20 0 JJADRN COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)cc1NC(=O)c1ccccn1 ZINC001463544056 1068435973 /nfs/dbraw/zinc/43/59/73/1068435973.db2.gz JQAQNSZKAJWCPW-QZTJIDSGSA-N 0 0 459.612 4.616 20 0 JJADRN O=S(=O)(c1ccccc1OC(F)F)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001463546578 1068436629 /nfs/dbraw/zinc/43/66/29/1068436629.db2.gz REHGJOFSQNMUJR-AWEZNQCLSA-N 0 0 453.454 4.786 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C(C)C ZINC001463545209 1068436652 /nfs/dbraw/zinc/43/66/52/1068436652.db2.gz YGOMSRSPTLYEHR-TZIWHRDSSA-N 0 0 458.407 4.794 20 0 JJADRN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC001463545326 1068436696 /nfs/dbraw/zinc/43/66/96/1068436696.db2.gz KJQLNXIERZQXJZ-UHFFFAOYSA-N 0 0 454.592 4.636 20 0 JJADRN CCOc1ccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C(C)C ZINC001463545204 1068436741 /nfs/dbraw/zinc/43/67/41/1068436741.db2.gz YGOMSRSPTLYEHR-FPOVZHCZSA-N 0 0 458.407 4.794 20 0 JJADRN Cc1cc([C@@H]2CCCN2C(=O)c2cc(I)c(Cl)cc2Cl)no1 ZINC001463545336 1068436755 /nfs/dbraw/zinc/43/67/55/1068436755.db2.gz JEOOKLIBWSYDGY-AWEZNQCLSA-N 0 0 451.091 4.872 20 0 JJADRN Cc1ccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C(F)(F)F ZINC001463545620 1068436757 /nfs/dbraw/zinc/43/67/57/1068436757.db2.gz ZDPSEOHVAPXHPA-SJORKVTESA-N 0 0 454.297 4.599 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c1 ZINC001463545602 1068437358 /nfs/dbraw/zinc/43/73/58/1068437358.db2.gz ZTSCXQXVUGXVKF-LJQANCHMSA-N 0 0 450.398 4.732 20 0 JJADRN Nc1cc(Cl)c(Cl)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001463545718 1068437390 /nfs/dbraw/zinc/43/73/90/1068437390.db2.gz NNUQITHBVUIFTI-UHFFFAOYSA-N 0 0 453.679 4.605 20 0 JJADRN O=S(=O)(c1cnc(Cl)cc1Cl)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001463548018 1068438012 /nfs/dbraw/zinc/43/80/12/1068438012.db2.gz ZGHXYBNICHDHOD-ZDUSSCGKSA-N 0 0 457.326 4.886 20 0 JJADRN COc1c2ccccc2oc1CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC001463549160 1068438080 /nfs/dbraw/zinc/43/80/80/1068438080.db2.gz BGZSTGCJLMSTLX-UHFFFAOYSA-N 0 0 450.516 4.545 20 0 JJADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001463551065 1068438946 /nfs/dbraw/zinc/43/89/46/1068438946.db2.gz UTZQOTHPCLUENN-HNAYVOBHSA-N 0 0 459.612 4.763 20 0 JJADRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC001463555847 1068440087 /nfs/dbraw/zinc/44/00/87/1068440087.db2.gz OEGKWURTMDCVDX-LJQANCHMSA-N 0 0 452.359 4.599 20 0 JJADRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)(C)c1nc2ccccc2n1C ZINC001463556462 1068440123 /nfs/dbraw/zinc/44/01/23/1068440123.db2.gz OMJCJVLPZCLYJQ-UHFFFAOYSA-N 0 0 456.793 4.511 20 0 JJADRN Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)ccc1C(F)(F)F ZINC001463555815 1068440162 /nfs/dbraw/zinc/44/01/62/1068440162.db2.gz CNWBKUXXFSMNQI-ZDUSSCGKSA-N 0 0 452.420 4.590 20 0 JJADRN CCOc1ncc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC001463558305 1068441550 /nfs/dbraw/zinc/44/15/50/1068441550.db2.gz VJANKRGKVCYFFR-UHFFFAOYSA-N 0 0 450.966 4.922 20 0 JJADRN Cc1cc(Br)c2c(c1)CN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)CC2 ZINC001463559750 1068442463 /nfs/dbraw/zinc/44/24/63/1068442463.db2.gz VXDJMQYOHXLZHA-UHFFFAOYSA-N 0 0 452.267 4.662 20 0 JJADRN COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001463561039 1068443396 /nfs/dbraw/zinc/44/33/96/1068443396.db2.gz NHUNXHKCQQTYHW-GJZGRUSLSA-N 0 0 458.805 4.801 20 0 JJADRN CCn1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1C1CC1 ZINC001463564751 1068445797 /nfs/dbraw/zinc/44/57/97/1068445797.db2.gz OHTZMLJAYHHJQJ-UHFFFAOYSA-N 0 0 458.971 4.795 20 0 JJADRN COc1cc(C(C)C)c(S(=O)(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1C ZINC001463564506 1068445845 /nfs/dbraw/zinc/44/58/45/1068445845.db2.gz NELVPYCGIHIVTB-LJQANCHMSA-N 0 0 458.546 4.727 20 0 JJADRN Cc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463564012 1068445879 /nfs/dbraw/zinc/44/58/79/1068445879.db2.gz KKGYUYXNJZAQGX-UHFFFAOYSA-N 0 0 457.939 4.680 20 0 JJADRN CCn1cc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)n1 ZINC001463564880 1068446529 /nfs/dbraw/zinc/44/65/29/1068446529.db2.gz PAZWPHVCEDZUDW-UHFFFAOYSA-N 0 0 453.351 4.571 20 0 JJADRN COc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)c(I)c1 ZINC001463564982 1068446694 /nfs/dbraw/zinc/44/66/94/1068446694.db2.gz WICRPORUBPCMGG-UHFFFAOYSA-N 0 0 457.311 4.862 20 0 JJADRN CN(C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001463567497 1068448187 /nfs/dbraw/zinc/44/81/87/1068448187.db2.gz BOBXKGWGHKBUBB-KRWDZBQOSA-N 0 0 455.329 4.735 20 0 JJADRN CSc1ccc(S(=O)(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1Cl ZINC001463569908 1068449735 /nfs/dbraw/zinc/44/97/35/1068449735.db2.gz IAFMWHQZZVKNBS-INIZCTEOSA-N 0 0 452.951 4.662 20 0 JJADRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(S(N)(=O)=O)c(C)c3)cc2)cc1 ZINC001463571804 1068451132 /nfs/dbraw/zinc/45/11/32/1068451132.db2.gz LZJIALGDQKCKGC-UHFFFAOYSA-N 0 0 453.520 4.777 20 0 JJADRN O=C(CCn1ccc2cc(Cl)ccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001463573822 1068451668 /nfs/dbraw/zinc/45/16/68/1068451668.db2.gz RHKVNUGJRREPAQ-UHFFFAOYSA-N 0 0 459.999 4.888 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001463572196 1068451834 /nfs/dbraw/zinc/45/18/34/1068451834.db2.gz YOXVCUMHDHWNHB-QGZVFWFLSA-N 0 0 455.939 4.577 20 0 JJADRN Cc1sc(Br)cc1S(=O)(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001463576761 1068452414 /nfs/dbraw/zinc/45/24/14/1068452414.db2.gz GLCUFKNZVYGLIJ-UHFFFAOYSA-N 0 0 450.370 4.741 20 0 JJADRN O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001463576752 1068453105 /nfs/dbraw/zinc/45/31/05/1068453105.db2.gz CPZNMZKCILXAIH-SFHVURJKSA-N 0 0 459.852 4.561 20 0 JJADRN CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(C)(C)C1(C)C ZINC001463577300 1068453190 /nfs/dbraw/zinc/45/31/90/1068453190.db2.gz ZSPHXZFSYBHXHQ-UHFFFAOYSA-N 0 0 454.533 4.748 20 0 JJADRN CC1(c2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccc(C(F)(F)F)c3)cc2)OCCO1 ZINC001463579148 1068453749 /nfs/dbraw/zinc/45/37/49/1068453749.db2.gz VGKUUCBYZFWEBS-FQEVSTJZSA-N 0 0 455.498 4.841 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3c(C)cccc3C)c2)cc1 ZINC001463580712 1068454486 /nfs/dbraw/zinc/45/44/86/1068454486.db2.gz GMTUFDDRXUCOSX-UHFFFAOYSA-N 0 0 454.548 4.764 20 0 JJADRN CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC001463579923 1068454551 /nfs/dbraw/zinc/45/45/51/1068454551.db2.gz OKFSQBUHIPZACD-UHFFFAOYSA-N 0 0 458.368 4.653 20 0 JJADRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)/C=C(/C)c3ccco3)c2)cc1 ZINC001463581637 1068455408 /nfs/dbraw/zinc/45/54/08/1068455408.db2.gz JNZCYUZYEZTNAM-PEZBUJJGSA-N 0 0 456.520 4.530 20 0 JJADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001463582547 1068456251 /nfs/dbraw/zinc/45/62/51/1068456251.db2.gz XNWKPVKEUONLFW-AWEZNQCLSA-N 0 0 454.935 4.868 20 0 JJADRN CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC ZINC001463584517 1068456807 /nfs/dbraw/zinc/45/68/07/1068456807.db2.gz YHBDPHDTPZPNIZ-ZDUSSCGKSA-N 0 0 455.374 4.633 20 0 JJADRN CCOc1ccc(S(=O)(=O)Oc2cc(F)c(Cl)cc2Br)cc1OCC ZINC001463585278 1068456995 /nfs/dbraw/zinc/45/69/95/1068456995.db2.gz UGCCJSVRKMDSQF-UHFFFAOYSA-N 0 0 453.713 4.807 20 0 JJADRN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(SC(F)(F)F)cc1)C(C)(C)C ZINC001463587357 1068457515 /nfs/dbraw/zinc/45/75/15/1068457515.db2.gz DXERAOOAKQPPPK-AWEZNQCLSA-N 0 0 456.552 4.516 20 0 JJADRN COCCOc1cccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 ZINC001463585509 1068457520 /nfs/dbraw/zinc/45/75/20/1068457520.db2.gz WDWCCRYOUQKJOR-UHFFFAOYSA-N 0 0 456.141 4.549 20 0 JJADRN Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCOc2ccc(Br)cc2C1 ZINC001463586367 1068457554 /nfs/dbraw/zinc/45/75/54/1068457554.db2.gz CANMNYUISVKCRA-UHFFFAOYSA-N 0 0 452.395 4.864 20 0 JJADRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Br)s1 ZINC001463586396 1068457599 /nfs/dbraw/zinc/45/75/99/1068457599.db2.gz MQNMZLMXWJJILP-INIZCTEOSA-N 0 0 457.821 4.967 20 0 JJADRN CC(=O)Nc1ccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 ZINC001463587767 1068458264 /nfs/dbraw/zinc/45/82/64/1068458264.db2.gz WUSOBNXCGCXKFU-UHFFFAOYSA-N 0 0 459.937 4.818 20 0 JJADRN CCN(Cc1ccccc1Br)S(=O)(=O)c1c(F)cccc1Br ZINC001463591294 1068458849 /nfs/dbraw/zinc/45/88/49/1068458849.db2.gz RQBDVDSPOBNOPW-UHFFFAOYSA-N 0 0 451.155 4.562 20 0 JJADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001463590366 1068458852 /nfs/dbraw/zinc/45/88/52/1068458852.db2.gz PRJJYDNHJZXTNN-QGZVFWFLSA-N 0 0 456.377 4.915 20 0 JJADRN O=C(c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463595571 1068460270 /nfs/dbraw/zinc/46/02/70/1068460270.db2.gz MNCJQDLTESPPAO-OLZOCXBDSA-N 0 0 457.294 4.701 20 0 JJADRN COC(C)(C)CS(=O)(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001463601389 1068461917 /nfs/dbraw/zinc/46/19/17/1068461917.db2.gz ZYPBVXHFMIZICW-FQEVSTJZSA-N 0 0 459.530 4.902 20 0 JJADRN O=S(=O)(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cnc(Cl)cc1C(F)(F)F ZINC001463603723 1068462548 /nfs/dbraw/zinc/46/25/48/1068462548.db2.gz FHMBYLDKQBLGQH-UMSPYCQHSA-N 0 0 458.811 4.997 20 0 JJADRN CCC[C@@]1(COC)CCCN1S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001463606136 1068463391 /nfs/dbraw/zinc/46/33/91/1068463391.db2.gz JAJUNUVCMVZMQD-SFHVURJKSA-N 0 0 459.431 4.542 20 0 JJADRN O=S(=O)(c1c[nH]c2nccc(Cl)c21)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001463605617 1068463411 /nfs/dbraw/zinc/46/34/11/1068463411.db2.gz CVSKDNUTIXFAFQ-CQSZACIVSA-N 0 0 458.740 4.644 20 0 JJADRN O=S(=O)(NCc1ccc(I)c(Cl)c1)c1ccc2ccccc2c1 ZINC001463606918 1068464068 /nfs/dbraw/zinc/46/40/68/1068464068.db2.gz QSXJMNFLMXKWKF-UHFFFAOYSA-N 0 0 457.720 4.576 20 0 JJADRN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)C1 ZINC001463610560 1068465387 /nfs/dbraw/zinc/46/53/87/1068465387.db2.gz YWHFXVBUNMCNIW-HNNXBMFYSA-N 0 0 450.304 4.796 20 0 JJADRN CCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC001463610466 1068465536 /nfs/dbraw/zinc/46/55/36/1068465536.db2.gz VKDHSTGTABYNOG-QFIPXVFZSA-N 0 0 453.564 4.559 20 0 JJADRN CCC(CC)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC001463611793 1068466077 /nfs/dbraw/zinc/46/60/77/1068466077.db2.gz XLCBXZYGFDEZIX-UHFFFAOYSA-N 0 0 450.579 4.627 20 0 JJADRN C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Br)cc1 ZINC001463614831 1068467659 /nfs/dbraw/zinc/46/76/59/1068467659.db2.gz RSPYLQKFWHVQLJ-ZETCQYMHSA-N 0 0 459.612 4.966 20 0 JJADRN O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001463617557 1068468572 /nfs/dbraw/zinc/46/85/72/1068468572.db2.gz KGYLTGIKHOMUGD-GFCCVEGCSA-N 0 0 452.267 4.785 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1Cl ZINC001463617666 1068468660 /nfs/dbraw/zinc/46/86/60/1068468660.db2.gz LDMXYPYXWRTWOK-HNNXBMFYSA-N 0 0 451.416 4.664 20 0 JJADRN C[S@@](=O)C1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001463619949 1068469268 /nfs/dbraw/zinc/46/92/68/1068469268.db2.gz BXJJQHBDQUOWOG-JGCGQSQUSA-N 0 0 458.580 4.566 20 0 JJADRN C[S@](=O)C1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001463619951 1068469386 /nfs/dbraw/zinc/46/93/86/1068469386.db2.gz BXJJQHBDQUOWOG-YTTGMZPUSA-N 0 0 458.580 4.566 20 0 JJADRN CC(C)Oc1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)c2ccccc12 ZINC001463621508 1068469428 /nfs/dbraw/zinc/46/94/28/1068469428.db2.gz BYANKJBLYPEPOG-UHFFFAOYSA-N 0 0 457.567 4.524 20 0 JJADRN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)n[nH]1 ZINC001463620644 1068469443 /nfs/dbraw/zinc/46/94/43/1068469443.db2.gz LBKBLZKDWLDTOU-UHFFFAOYSA-N 0 0 456.502 4.989 20 0 JJADRN CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC001463622530 1068469954 /nfs/dbraw/zinc/46/99/54/1068469954.db2.gz BTEYLOCRIBVWCL-UHFFFAOYSA-N 0 0 450.299 4.707 20 0 JJADRN O=C(CCC[C@H](O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001463622831 1068470101 /nfs/dbraw/zinc/47/01/01/1068470101.db2.gz DOVPFKNBFJKYAP-QFIPXVFZSA-N 0 0 458.967 4.983 20 0 JJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@@H]1CCCN1c1ccccc1 ZINC001463623622 1068470730 /nfs/dbraw/zinc/47/07/30/1068470730.db2.gz GMKWXFKJRLSGQX-QFIPXVFZSA-N 0 0 455.967 4.748 20 0 JJADRN CCOc1ccc(Br)cc1S(=O)(=O)NCC1(c2ccc(C)c(C)c2)CCC1 ZINC001463626042 1068472157 /nfs/dbraw/zinc/47/21/57/1068472157.db2.gz ODEJRZUWCFUTBP-UHFFFAOYSA-N 0 0 452.414 4.865 20 0 JJADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001463627678 1068473472 /nfs/dbraw/zinc/47/34/72/1068473472.db2.gz TYONVEPLVOIERL-HXUWFJFHSA-N 0 0 452.039 4.656 20 0 JJADRN CCCc1c(C(=O)N(C)Cc2ccc(OC)c(OC)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001463628304 1068474200 /nfs/dbraw/zinc/47/42/00/1068474200.db2.gz ZTGBRNAZTUOZSS-UHFFFAOYSA-N 0 0 450.583 4.807 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(Br)c1 ZINC001463631275 1068474976 /nfs/dbraw/zinc/47/49/76/1068474976.db2.gz KGTVKFYVDFNIPD-HDJSIYSDSA-N 0 0 459.203 4.745 20 0 JJADRN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c1)C2 ZINC001463628943 1068475063 /nfs/dbraw/zinc/47/50/63/1068475063.db2.gz YJQQKTVNESSDCK-JOCHJYFZSA-N 0 0 456.951 4.700 20 0 JJADRN O=S(=O)(c1c(Cl)ccc2ccccc21)N1CCOc2c(Br)cccc2C1 ZINC001463634533 1068476922 /nfs/dbraw/zinc/47/69/22/1068476922.db2.gz NTXATZRRVSUGKY-UHFFFAOYSA-N 0 0 452.757 4.839 20 0 JJADRN CC(C)[C@@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)c2ccccc21 ZINC001463638651 1068477534 /nfs/dbraw/zinc/47/75/34/1068477534.db2.gz YAUQBGPCANNKJG-GIWBLDEGSA-N 0 0 456.608 4.671 20 0 JJADRN C[C@@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)c1ccc(Cl)cc1Cl ZINC001463637482 1068477553 /nfs/dbraw/zinc/47/75/53/1068477553.db2.gz OUCUNYWVHPELJK-SNVBAGLBSA-N 0 0 452.201 4.861 20 0 JJADRN CCCC1CCC(N(C)S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 ZINC001463640490 1068478425 /nfs/dbraw/zinc/47/84/25/1068478425.db2.gz CTFVXYAKERNZCH-UHFFFAOYSA-N 0 0 457.434 4.703 20 0 JJADRN CC1(C)COc2c(S(=O)(=O)N3CCCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cnn2C1 ZINC001463643417 1068478796 /nfs/dbraw/zinc/47/87/96/1068478796.db2.gz WMHAVUCSSWQLAO-QGZVFWFLSA-N 0 0 457.518 4.627 20 0 JJADRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1NCc1ccco1 ZINC001463642731 1068478813 /nfs/dbraw/zinc/47/88/13/1068478813.db2.gz NRXNOPITQIBDHA-UHFFFAOYSA-N 0 0 456.340 4.673 20 0 JJADRN C[C@@H](NS(=O)(=O)c1scc(Br)c1Br)c1ccccc1Cl ZINC001463642774 1068478855 /nfs/dbraw/zinc/47/88/55/1068478855.db2.gz TVYJFGTYSYZOSI-SSDOTTSWSA-N 0 0 459.612 4.966 20 0 JJADRN C[C@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)c1cccc(OCc2ccccc2)c1 ZINC001463650333 1068480938 /nfs/dbraw/zinc/48/09/38/1068480938.db2.gz JCZGFXYVFVTBCD-IBGZPJMESA-N 0 0 453.560 4.525 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC001463652619 1068481477 /nfs/dbraw/zinc/48/14/77/1068481477.db2.gz GDVIVBDYQSYMRD-UHFFFAOYSA-N 0 0 458.923 4.570 20 0 JJADRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc1)CO2 ZINC001463653124 1068482316 /nfs/dbraw/zinc/48/23/16/1068482316.db2.gz KELBBZCBOFLTAN-NRFANRHFSA-N 0 0 456.951 4.872 20 0 JJADRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC001463655778 1068483854 /nfs/dbraw/zinc/48/38/54/1068483854.db2.gz XJCDCQIGTGYHTM-UHFFFAOYSA-N 0 0 452.532 4.533 20 0 JJADRN O=C1[C@H](NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CCCN1c1ccc(Cl)cc1Cl ZINC001463655741 1068483878 /nfs/dbraw/zinc/48/38/78/1068483878.db2.gz FFUAEWCNWHERCX-FPISAVPCSA-N 0 0 459.782 4.733 20 0 JJADRN COC(=O)c1coc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001463656361 1068484296 /nfs/dbraw/zinc/48/42/96/1068484296.db2.gz PETWPAFIOUYUGX-LLVKDONJSA-N 0 0 459.467 4.853 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)N2CCCCC2)cc1 ZINC001463656409 1068484345 /nfs/dbraw/zinc/48/43/45/1068484345.db2.gz CSYLAWKWJTXUCW-AREMUKBSSA-N 0 0 458.558 4.589 20 0 JJADRN Cn1cc(-c2ncccc2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC001463657538 1068485170 /nfs/dbraw/zinc/48/51/70/1068485170.db2.gz QLVHEPWTAAFOBA-UHFFFAOYSA-N 0 0 450.296 4.684 20 0 JJADRN O=S(=O)(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(Br)ccc1F ZINC001463658433 1068485241 /nfs/dbraw/zinc/48/52/41/1068485241.db2.gz MNIMFDQZKBIRTD-LBPRGKRZSA-N 0 0 455.132 4.697 20 0 JJADRN Cc1c2c(cccc2F)sc1S(=O)(=O)N[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001463661430 1068485753 /nfs/dbraw/zinc/48/57/53/1068485753.db2.gz LKEQLTVSTYGJHV-WPKBUWHJSA-N 0 0 456.605 4.661 20 0 JJADRN Cc1c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c2ccccc2n1C ZINC001463659689 1068485778 /nfs/dbraw/zinc/48/57/78/1068485778.db2.gz QBYOGOVPQWWHBG-MRXNPFEDSA-N 0 0 452.407 4.741 20 0 JJADRN COCCCC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1OC)c1ccccc1 ZINC001463661503 1068486291 /nfs/dbraw/zinc/48/62/91/1068486291.db2.gz AHEMVDOKAPGDSG-SFHVURJKSA-N 0 0 456.402 4.602 20 0 JJADRN O=C1CCc2cc(Cl)c(S(=O)(=O)N(Cc3c(Cl)cccc3Cl)C3CC3)cc2N1 ZINC001463665602 1068487720 /nfs/dbraw/zinc/48/77/20/1068487720.db2.gz GXCDFICTVZFYTL-UHFFFAOYSA-N 0 0 459.782 4.885 20 0 JJADRN O=S(=O)(NCc1ccncc1OCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC001463674009 1068489756 /nfs/dbraw/zinc/48/97/56/1068489756.db2.gz AWLGONWBOBJWFS-UHFFFAOYSA-N 0 0 456.873 4.811 20 0 JJADRN O=S(=O)(c1ccc(Cl)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001463672990 1068489802 /nfs/dbraw/zinc/48/98/02/1068489802.db2.gz JIIQHDYVDIFVLT-UHFFFAOYSA-N 0 0 457.276 4.662 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@H](CCO)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001463683557 1068492373 /nfs/dbraw/zinc/49/23/73/1068492373.db2.gz OUHIFWCQFARJID-GOSISDBHSA-N 0 0 457.404 4.827 20 0 JJADRN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001463685761 1068493512 /nfs/dbraw/zinc/49/35/12/1068493512.db2.gz CLAOBJBZDSLOQJ-INIZCTEOSA-N 0 0 453.461 4.599 20 0 JJADRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC001463686781 1068493647 /nfs/dbraw/zinc/49/36/47/1068493647.db2.gz DGSNCRNWNFYYPV-NRFANRHFSA-N 0 0 456.391 4.913 20 0 JJADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(OC2CCCC2)cc1 ZINC001463687070 1068494160 /nfs/dbraw/zinc/49/41/60/1068494160.db2.gz YASLRRBKCLXMFI-INIZCTEOSA-N 0 0 453.988 4.554 20 0 JJADRN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001463689683 1068494927 /nfs/dbraw/zinc/49/49/27/1068494927.db2.gz ZQSUMULZDZXYAX-FQEVSTJZSA-N 0 0 453.457 4.769 20 0 JJADRN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC001463692128 1068495563 /nfs/dbraw/zinc/49/55/63/1068495563.db2.gz LMGCFTQXNHPXPE-UHFFFAOYSA-N 0 0 453.391 4.577 20 0 JJADRN CC(C)[C@@H]1CN(S(=O)(=O)c2c(Br)cc(F)cc2Br)[C@H]1C(C)C ZINC001463695142 1068496800 /nfs/dbraw/zinc/49/68/00/1068496800.db2.gz FQYWZFJVOATYEO-FZMZJTMJSA-N 0 0 457.203 4.652 20 0 JJADRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001463697140 1068497066 /nfs/dbraw/zinc/49/70/66/1068497066.db2.gz GUOJJARDCUBWSU-INIZCTEOSA-N 0 0 450.185 4.722 20 0 JJADRN COc1cc(OC)cc(Oc2ccc(CNS(=O)(=O)c3ccc(OC)c(C)c3C)cc2)c1 ZINC001463700914 1068498999 /nfs/dbraw/zinc/49/89/99/1068498999.db2.gz OMVIQHHCMBFCPP-UHFFFAOYSA-N 0 0 457.548 4.600 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)cc1Br ZINC001463703109 1068500289 /nfs/dbraw/zinc/50/02/89/1068500289.db2.gz ZCIJBNRGCLZYMX-WBMJQRKESA-N 0 0 453.240 4.821 20 0 JJADRN CCCCN([C@@H]1CCCC[C@H]1OC)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC001463704167 1068500397 /nfs/dbraw/zinc/50/03/97/1068500397.db2.gz DVZNKLDSPCUNBU-QZTJIDSGSA-N 0 0 452.842 4.992 20 0 JJADRN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001463706497 1068501039 /nfs/dbraw/zinc/50/10/39/1068501039.db2.gz BURXDNZRUWSOIH-HOTGVXAUSA-N 0 0 456.377 4.849 20 0 JJADRN Cc1cc(Cl)c(S(=O)(=O)NCCOc2ccc(Cl)c(F)c2)c(Br)c1 ZINC001463708534 1068501631 /nfs/dbraw/zinc/50/16/31/1068501631.db2.gz OGAGYSUTCHZYKX-UHFFFAOYSA-N 0 0 457.148 4.561 20 0 JJADRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC001463711298 1068502110 /nfs/dbraw/zinc/50/21/10/1068502110.db2.gz OINBHXZZHCSHDA-QFIPXVFZSA-N 0 0 458.624 4.886 20 0 JJADRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC001463711755 1068502668 /nfs/dbraw/zinc/50/26/68/1068502668.db2.gz KZCUIUGXSPSMIT-QGZVFWFLSA-N 0 0 452.363 4.502 20 0 JJADRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001463716671 1068503132 /nfs/dbraw/zinc/50/31/32/1068503132.db2.gz UDDGKKKKIQCGDA-IBGZPJMESA-N 0 0 452.492 4.766 20 0 JJADRN O=S(=O)(NC[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(Br)cc2c1OCC2 ZINC001463715166 1068503270 /nfs/dbraw/zinc/50/32/70/1068503270.db2.gz YTOJITGIDMXANM-HKUYNNGSSA-N 0 0 450.398 4.636 20 0 JJADRN O=S(=O)(NC[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(Br)cc2c1OCC2 ZINC001463715171 1068503345 /nfs/dbraw/zinc/50/33/45/1068503345.db2.gz YTOJITGIDMXANM-PKOBYXMFSA-N 0 0 450.398 4.636 20 0 JJADRN COc1ccc(C[C@H](NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC001463716736 1068503741 /nfs/dbraw/zinc/50/37/41/1068503741.db2.gz DZKJCPOCQXCPNU-GOTSBHOMSA-N 0 0 459.464 4.856 20 0 JJADRN CN(C)C(=O)Nc1cccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC001463718899 1068504239 /nfs/dbraw/zinc/50/42/39/1068504239.db2.gz WEWCXBMPPQBWIX-UHFFFAOYSA-N 0 0 453.546 4.905 20 0 JJADRN CCC1(Cn2c(C3CCCC3)nnc2N(C)CCNS(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC001546141161 1068505916 /nfs/dbraw/zinc/50/59/16/1068505916.db2.gz YNFBPYRIRROVLW-UHFFFAOYSA-N 0 0 473.687 4.629 20 0 JJADRN COC(=O)c1sc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)c1Cl ZINC001463729010 1068506268 /nfs/dbraw/zinc/50/62/68/1068506268.db2.gz WROLWWZHCVHMEJ-CQSZACIVSA-N 0 0 452.356 4.719 20 0 JJADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2N)ccc1Cl ZINC001463728776 1068506496 /nfs/dbraw/zinc/50/64/96/1068506496.db2.gz ZQKLLLHDOQHOPP-UHFFFAOYSA-N 0 0 450.775 4.512 20 0 JJADRN COc1ccc(C(=O)CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c(OC)c1OC ZINC001463730969 1068507018 /nfs/dbraw/zinc/50/70/18/1068507018.db2.gz KFXAJSNQDGUOLZ-UHFFFAOYSA-N 0 0 455.595 4.949 20 0 JJADRN COC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1 ZINC001463735802 1068508041 /nfs/dbraw/zinc/50/80/41/1068508041.db2.gz HXLRRRPOUORPIS-UHFFFAOYSA-N 0 0 454.979 4.813 20 0 JJADRN Cc1cc(Br)c(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)s1 ZINC001463746139 1068511287 /nfs/dbraw/zinc/51/12/87/1068511287.db2.gz MKXFARADVMTSCN-ZDUSSCGKSA-N 0 0 450.427 4.948 20 0 JJADRN O=C(NCCc1ccc2c(c1)OCO2)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001463746683 1068511433 /nfs/dbraw/zinc/51/14/33/1068511433.db2.gz XEGBBCYHKNVYEG-JOCHJYFZSA-N 0 0 454.320 4.657 20 0 JJADRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC001463747957 1068511464 /nfs/dbraw/zinc/51/14/64/1068511464.db2.gz ZKMNXXGWYQZWSP-RTWAWAEBSA-N 0 0 452.551 4.777 20 0 JJADRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001463746479 1068511482 /nfs/dbraw/zinc/51/14/82/1068511482.db2.gz SZITZLMIKVENJV-UHFFFAOYSA-N 0 0 451.500 4.730 20 0 JJADRN CCOc1ccc(-c2nc(NC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)sc2C)cc1 ZINC001463752142 1068513139 /nfs/dbraw/zinc/51/31/39/1068513139.db2.gz UZMUYRVIVAMPCI-HSZRJFAPSA-N 0 0 451.592 4.654 20 0 JJADRN CC(=O)c1ccc(N2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)c(F)c1 ZINC001463753769 1068513596 /nfs/dbraw/zinc/51/35/96/1068513596.db2.gz WESXIBWGJMXTNP-UHFFFAOYSA-N 0 0 453.739 4.715 20 0 JJADRN CCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)sc1C ZINC001463753569 1068513730 /nfs/dbraw/zinc/51/37/30/1068513730.db2.gz LTXJXWCKZIIOHH-UHFFFAOYSA-N 0 0 453.948 4.860 20 0 JJADRN CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1C=O ZINC001463755616 1068514222 /nfs/dbraw/zinc/51/42/22/1068514222.db2.gz KKRFCCSEDYNLDZ-UHFFFAOYSA-N 0 0 452.436 4.932 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001463758842 1068514951 /nfs/dbraw/zinc/51/49/51/1068514951.db2.gz QCQLTHNYLSLOJJ-HXUWFJFHSA-N 0 0 456.391 4.935 20 0 JJADRN O=S(=O)(c1cc(Cl)ccc1Br)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001463759061 1068514965 /nfs/dbraw/zinc/51/49/65/1068514965.db2.gz RBQNLCYHGWWAMG-OAHLLOKOSA-N 0 0 451.169 4.518 20 0 JJADRN Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001463761109 1068516145 /nfs/dbraw/zinc/51/61/45/1068516145.db2.gz DXWBYMVIABYQIM-UHFFFAOYSA-N 0 0 459.571 4.720 20 0 JJADRN C[C@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC001463764134 1068516664 /nfs/dbraw/zinc/51/66/64/1068516664.db2.gz KLVUUAKAGDOHNM-QGZVFWFLSA-N 0 0 450.482 4.975 20 0 JJADRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ccccc1-c1ccno1 ZINC001463767843 1068518290 /nfs/dbraw/zinc/51/82/90/1068518290.db2.gz ZTEAPSWTLXKFBY-LIRRHRJNSA-N 0 0 452.454 4.511 20 0 JJADRN C[C@@H](OCCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 ZINC001463773015 1068519993 /nfs/dbraw/zinc/51/99/93/1068519993.db2.gz GTEVUEKNEFVRSS-VGOFRKELSA-N 0 0 451.394 4.651 20 0 JJADRN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001463774737 1068520979 /nfs/dbraw/zinc/52/09/79/1068520979.db2.gz KNGZRRHRQBUQGE-SFTDATJTSA-N 0 0 450.645 4.858 20 0 JJADRN Cc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)CC2)nc(C(C)C)n1 ZINC001463775010 1068521247 /nfs/dbraw/zinc/52/12/47/1068521247.db2.gz ZMOZMUPMBDQZBA-JOCHJYFZSA-N 0 0 458.606 4.615 20 0 JJADRN CC(=O)Nc1cccc(OC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1 ZINC001463781021 1068522559 /nfs/dbraw/zinc/52/25/59/1068522559.db2.gz QDENRASGDUESGF-UHFFFAOYSA-N 0 0 459.568 4.744 20 0 JJADRN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001463779804 1068522713 /nfs/dbraw/zinc/52/27/13/1068522713.db2.gz VLGNDGOGPLSAKM-MRXNPFEDSA-N 0 0 455.352 4.769 20 0 JJADRN CCCCN([C@@H]1CCC[C@H](C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC001463787274 1068524178 /nfs/dbraw/zinc/52/41/78/1068524178.db2.gz UXGMVYNYGLNJEW-WWNPGLIZSA-N 0 0 450.645 4.798 20 0 JJADRN CCOc1ccc([C@H](O)C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)CC2)cc1 ZINC001463788686 1068524225 /nfs/dbraw/zinc/52/42/25/1068524225.db2.gz DESSGWDZTOIQFB-NRFANRHFSA-N 0 0 457.514 4.547 20 0 JJADRN Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001463788070 1068524288 /nfs/dbraw/zinc/52/42/88/1068524288.db2.gz WEWBFVIOTZMEIK-IBGZPJMESA-N 0 0 456.439 4.618 20 0 JJADRN CC1(C)CN(S(=O)(=O)CC2Cc3ccccc3C2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001463789021 1068524800 /nfs/dbraw/zinc/52/48/00/1068524800.db2.gz BOQYSHPUGHJSPB-NRFANRHFSA-N 0 0 453.526 4.602 20 0 JJADRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC001463791984 1068525280 /nfs/dbraw/zinc/52/52/80/1068525280.db2.gz VMMSQZRDGFMLOD-LEWJYISDSA-N 0 0 450.645 4.720 20 0 JJADRN CCC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1 ZINC001463794267 1068526485 /nfs/dbraw/zinc/52/64/85/1068526485.db2.gz VSOFSXOLSIOAHB-FQEVSTJZSA-N 0 0 455.498 4.839 20 0 JJADRN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCC1(c2ccc(C)cc2C)CCCC1 ZINC001463797199 1068527896 /nfs/dbraw/zinc/52/78/96/1068527896.db2.gz OBOUSWPWOAVFKB-UHFFFAOYSA-N 0 0 456.652 4.966 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cn2)C1 ZINC001463797908 1068528077 /nfs/dbraw/zinc/52/80/77/1068528077.db2.gz XXQLPFCDIFVJKE-JOCHJYFZSA-N 0 0 454.546 4.524 20 0 JJADRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cnc1N1CCCC[C@H]1C ZINC001546141764 1068528709 /nfs/dbraw/zinc/52/87/09/1068528709.db2.gz TZHRONZPGLPQOD-RTBURBONSA-N 0 0 453.562 4.791 20 0 JJADRN CCCOc1ccc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001463800451 1068529014 /nfs/dbraw/zinc/52/90/14/1068529014.db2.gz MFNGXVDEJYOOPX-UHFFFAOYSA-N 0 0 459.590 4.536 20 0 JJADRN Cc1cc(CC(C)(C)NS(=O)(=O)c2cnc(Cl)cc2Cl)ccc1Br ZINC001463799559 1068529192 /nfs/dbraw/zinc/52/91/92/1068529192.db2.gz GLDBABLDCJDJHB-UHFFFAOYSA-N 0 0 452.201 4.759 20 0 JJADRN C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC001463800700 1068529742 /nfs/dbraw/zinc/52/97/42/1068529742.db2.gz MKEVHQCFXFKUQQ-CLYVBNDRSA-N 0 0 470.560 4.566 20 0 JJADRN CCOc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C(C)C)cc1OCC ZINC001463801122 1068530264 /nfs/dbraw/zinc/53/02/64/1068530264.db2.gz RTHCUOBNLGURJO-YKSBVNFPSA-N 0 0 459.631 4.662 20 0 JJADRN O=Cc1cc(F)c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1F ZINC001463802645 1068530870 /nfs/dbraw/zinc/53/08/70/1068530870.db2.gz YTGNPYZHEKAGBB-UHFFFAOYSA-N 0 0 456.439 4.603 20 0 JJADRN COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(F)c3ccccc32)c1F ZINC001463805417 1068531277 /nfs/dbraw/zinc/53/12/77/1068531277.db2.gz DXJGCPFUTAUCKH-NSHDSACASA-N 0 0 456.308 4.929 20 0 JJADRN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001463805078 1068531312 /nfs/dbraw/zinc/53/13/12/1068531312.db2.gz ASIAUJRRILBQCO-UHFFFAOYSA-N 0 0 454.832 4.578 20 0 JJADRN O=C(c1cc(OCc2ccccc2)ccn1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463806883 1068531897 /nfs/dbraw/zinc/53/18/97/1068531897.db2.gz GXKVUPOGKLUKHH-UHFFFAOYSA-N 0 0 455.480 4.637 20 0 JJADRN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC001463810653 1068532865 /nfs/dbraw/zinc/53/28/65/1068532865.db2.gz VQSPKEKLVDOWKJ-GFCCVEGCSA-N 0 0 457.412 4.519 20 0 JJADRN COc1cccc(C2(CNS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 ZINC001463811098 1068533244 /nfs/dbraw/zinc/53/32/44/1068533244.db2.gz XOCXKPJNOKQSSQ-UHFFFAOYSA-N 0 0 453.404 4.743 20 0 JJADRN CON(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001463812018 1068533408 /nfs/dbraw/zinc/53/34/08/1068533408.db2.gz XQFRJLZTBGHNJB-UHFFFAOYSA-N 0 0 458.683 4.874 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC001463813349 1068533898 /nfs/dbraw/zinc/53/38/98/1068533898.db2.gz XEDGRQDNPWFFHU-RUZDIDTESA-N 0 0 456.608 4.765 20 0 JJADRN Cc1cc(C)n2ncc(C(=O)Nc3ccc(COc4ccc(Br)cc4)cc3)c2n1 ZINC001463813422 1068533923 /nfs/dbraw/zinc/53/39/23/1068533923.db2.gz WBTALPODUHMNOQ-UHFFFAOYSA-N 0 0 451.324 4.940 20 0 JJADRN COc1cc(Cl)c(S(=O)(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)cc1Cl ZINC001463825475 1068537086 /nfs/dbraw/zinc/53/70/86/1068537086.db2.gz SUOUTNQIAZQJHA-IBGZPJMESA-N 0 0 459.439 4.782 20 0 JJADRN O=Cc1ccc(OCc2occc2C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC001463825653 1068537603 /nfs/dbraw/zinc/53/76/03/1068537603.db2.gz JBJZSKYSANWWPB-QHCPKHFHSA-N 0 0 452.938 4.891 20 0 JJADRN CCC1(Cn2c([C@H]3CCCCO3)nnc2N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC001546142040 1068538724 /nfs/dbraw/zinc/53/87/24/1068538724.db2.gz BOBAZUUMSRRTPL-LJQANCHMSA-N 0 0 481.410 4.610 20 0 JJADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)c(F)c1Cl ZINC001463827164 1068538872 /nfs/dbraw/zinc/53/88/72/1068538872.db2.gz FYJSVPFRAMOQRF-FQEVSTJZSA-N 0 0 454.926 4.883 20 0 JJADRN CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C1 ZINC001463826646 1068538901 /nfs/dbraw/zinc/53/89/01/1068538901.db2.gz URJODXWLAZFNHW-SJLPKXTDSA-N 0 0 450.988 4.983 20 0 JJADRN CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)C1 ZINC001463826589 1068539017 /nfs/dbraw/zinc/53/90/17/1068539017.db2.gz URJODXWLAZFNHW-FUHWJXTLSA-N 0 0 450.988 4.983 20 0 JJADRN O=S(=O)(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)C1=Cc2ccccc2OC1 ZINC001463828197 1068539467 /nfs/dbraw/zinc/53/94/67/1068539467.db2.gz GJPXJNJYWXDSNY-DEOSSOPVSA-N 0 0 455.963 4.951 20 0 JJADRN CCOc1ccc(Oc2ccccc2NC(=O)c2c(Br)nc3n2CCOC3)cc1 ZINC001463830416 1068539908 /nfs/dbraw/zinc/53/99/08/1068539908.db2.gz QRLGMQYTHBUWPA-UHFFFAOYSA-N 0 0 458.312 4.619 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)Cc2ccccn2)CCOCC1 ZINC001546142117 1068542459 /nfs/dbraw/zinc/54/24/59/1068542459.db2.gz CXSULMYPTVTWEF-UHFFFAOYSA-N 0 0 498.672 4.631 20 0 JJADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CCCC1 ZINC001546142126 1068542978 /nfs/dbraw/zinc/54/29/78/1068542978.db2.gz DCWBNOPQLSSNSH-LEWJYISDSA-N 0 0 459.679 4.521 20 0 JJADRN CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)c3ccc(-c4nccs4)cc3)cc2c1C ZINC001463839396 1068543645 /nfs/dbraw/zinc/54/36/45/1068543645.db2.gz CBWDVMLTSXEYGZ-UHFFFAOYSA-N 0 0 456.545 4.867 20 0 JJADRN Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001463841295 1068544042 /nfs/dbraw/zinc/54/40/42/1068544042.db2.gz GFKMMXDDHSMVDW-MJGOQNOKSA-N 0 0 457.036 4.839 20 0 JJADRN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC001463841449 1068544131 /nfs/dbraw/zinc/54/41/31/1068544131.db2.gz CLKFKIRKOOTIGF-DEOSSOPVSA-N 0 0 452.576 4.800 20 0 JJADRN COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)cc1 ZINC001463842739 1068545320 /nfs/dbraw/zinc/54/53/20/1068545320.db2.gz NGNHEYZLHGATBV-HSZRJFAPSA-N 0 0 459.420 4.779 20 0 JJADRN O=C(c1cc(Cl)c(Br)cc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001463846641 1068546288 /nfs/dbraw/zinc/54/62/88/1068546288.db2.gz OWKIREIKLQYVRO-UHFFFAOYSA-N 0 0 452.711 4.774 20 0 JJADRN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cs1 ZINC001463846732 1068546450 /nfs/dbraw/zinc/54/64/50/1068546450.db2.gz MSWDTOBEWUVLFQ-UHFFFAOYSA-N 0 0 459.568 4.894 20 0 JJADRN O=C([C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)N1CCN(Cc2ccncc2)CC1 ZINC001463846364 1068546484 /nfs/dbraw/zinc/54/64/84/1068546484.db2.gz MVEFWPGJIHBRMV-QHCPKHFHSA-N 0 0 456.373 4.853 20 0 JJADRN COc1cc(NC(=O)CCc2ccccc2C(F)(F)F)c(C(=O)N2CCCC2)cc1OC ZINC001463846255 1068546504 /nfs/dbraw/zinc/54/65/04/1068546504.db2.gz NJEPYGZRRQHOKZ-UHFFFAOYSA-N 0 0 450.457 4.530 20 0 JJADRN COC/C(C)=C/C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001463848601 1068547149 /nfs/dbraw/zinc/54/71/49/1068547149.db2.gz SBZYFZTUPNWSLU-JLHYYAGUSA-N 0 0 456.536 4.642 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463855483 1068548263 /nfs/dbraw/zinc/54/82/63/1068548263.db2.gz ANOUFSBWGWBHQB-GMAHTHKFSA-N 0 0 452.599 4.605 20 0 JJADRN CCn1c2ccc(S(=O)(=O)N(CCCCc3ccccc3)c3ccccc3)cc2oc1=O ZINC001463853339 1068548303 /nfs/dbraw/zinc/54/83/03/1068548303.db2.gz GMDIEYHHVYEVCB-UHFFFAOYSA-N 0 0 450.560 4.833 20 0 JJADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001463855478 1068548328 /nfs/dbraw/zinc/54/83/28/1068548328.db2.gz ANOUFSBWGWBHQB-FYYLOGMGSA-N 0 0 452.599 4.605 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001463852136 1068548363 /nfs/dbraw/zinc/54/83/63/1068548363.db2.gz MULNMNRZXLGGAU-NRFANRHFSA-N 0 0 455.530 4.941 20 0 JJADRN COc1ccc(NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)cc1OC1CCCC1 ZINC001463857603 1068548836 /nfs/dbraw/zinc/54/88/36/1068548836.db2.gz BDUITNONXQJFRN-UHFFFAOYSA-N 0 0 450.457 4.923 20 0 JJADRN Cc1ccc(CCC2CCN(C(=O)c3cn(-c4ccc(Br)cc4)nn3)CC2)cc1 ZINC001463859675 1068549270 /nfs/dbraw/zinc/54/92/70/1068549270.db2.gz NRKGCDPEMYOCGC-UHFFFAOYSA-N 0 0 453.384 4.823 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1C(C)C ZINC001463857903 1068549330 /nfs/dbraw/zinc/54/93/30/1068549330.db2.gz UHAUUJKQKFRIQU-QHCPKHFHSA-N 0 0 453.551 4.621 20 0 JJADRN O=C(CCC(=O)Nc1c(F)cccc1F)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC001463859293 1068549373 /nfs/dbraw/zinc/54/93/73/1068549373.db2.gz LZHPIHDBBPRUTP-UHFFFAOYSA-N 0 0 453.493 4.697 20 0 JJADRN Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1NC(=O)OC(C)(C)C ZINC001463868887 1068551420 /nfs/dbraw/zinc/55/14/20/1068551420.db2.gz JUJAZQWMUGDLJL-UHFFFAOYSA-N 0 0 452.555 4.684 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)[C@@H]2C1 ZINC001463870997 1068551790 /nfs/dbraw/zinc/55/17/90/1068551790.db2.gz FRLHNRFXPKQYDU-HRAATJIYSA-N 0 0 478.998 4.762 20 0 JJADRN CSc1ccccc1OC[C@H](O)CN(C(C)C)S(=O)(=O)Cc1ccc2ccccc2c1 ZINC001463871761 1068551926 /nfs/dbraw/zinc/55/19/26/1068551926.db2.gz JEBMDCOWZQQLJL-JOCHJYFZSA-N 0 0 459.633 4.542 20 0 JJADRN Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC001463871531 1068551975 /nfs/dbraw/zinc/55/19/75/1068551975.db2.gz OCDMWBSDISGMEA-UHFFFAOYSA-N 0 0 451.647 4.841 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001463873168 1068552454 /nfs/dbraw/zinc/55/24/54/1068552454.db2.gz DIKQJGHDEXWGCP-UAMLPYHUSA-N 0 0 452.542 4.679 20 0 JJADRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001463873161 1068552475 /nfs/dbraw/zinc/55/24/75/1068552475.db2.gz DIKQJGHDEXWGCP-JKMAKKBCSA-N 0 0 452.542 4.679 20 0 JJADRN C=CC(=O)N1CCC(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)(c2ccccc2)CC1 ZINC001463874907 1068553407 /nfs/dbraw/zinc/55/34/07/1068553407.db2.gz CTQLWZSNWVOVAI-UHFFFAOYSA-N 0 0 459.571 4.685 20 0 JJADRN COCC1(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001463882608 1068555166 /nfs/dbraw/zinc/55/51/66/1068555166.db2.gz DQGNGIKIYYUBBA-UHFFFAOYSA-N 0 0 455.599 4.538 20 0 JJADRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC001463884257 1068555177 /nfs/dbraw/zinc/55/51/77/1068555177.db2.gz GRYISDKFUJDOQN-IBGZPJMESA-N 0 0 457.431 4.796 20 0 JJADRN COc1ccc([C@@H](O)CN([C@H](C)Cc2ccccc2)S(=O)(=O)CC2(C)CCCCC2)cc1 ZINC001463888360 1068556069 /nfs/dbraw/zinc/55/60/69/1068556069.db2.gz PNRSAGGBWFGATE-BWKNWUBXSA-N 0 0 459.652 4.962 20 0 JJADRN CCc1cccc(S(=O)(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 ZINC001463887220 1068556078 /nfs/dbraw/zinc/55/60/78/1068556078.db2.gz MDERPTXTACCLIO-FNZWTVRRSA-N 0 0 453.604 4.613 20 0 JJADRN CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl ZINC001463887907 1068556207 /nfs/dbraw/zinc/55/62/07/1068556207.db2.gz OSXZLSMISXHCFU-QFIPXVFZSA-N 0 0 451.910 4.504 20 0 JJADRN COc1cc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c(C(=O)N(C)C)cc1OC ZINC001463889689 1068556805 /nfs/dbraw/zinc/55/68/05/1068556805.db2.gz MAAFEDBWULYYJE-UHFFFAOYSA-N 0 0 456.445 4.728 20 0 JJADRN COc1ccc([C@@H](NS(=O)(=O)Cc2cccc(Br)c2C)c2ccco2)cc1 ZINC001463893400 1068557660 /nfs/dbraw/zinc/55/76/60/1068557660.db2.gz KRRVOLMMHSAPBA-HXUWFJFHSA-N 0 0 450.354 4.568 20 0 JJADRN CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCn2cccn2)CCCC1 ZINC001546142563 1068559836 /nfs/dbraw/zinc/55/98/36/1068559836.db2.gz NCEDORGBJPAXPO-UHFFFAOYSA-N 0 0 485.677 4.696 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C1 ZINC001463906875 1068561239 /nfs/dbraw/zinc/56/12/39/1068561239.db2.gz SDWWDOVQVUBWSY-UHFFFAOYSA-N 0 0 452.429 4.967 20 0 JJADRN CCCCOc1ccc(S(=O)(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)cc1C(C)C ZINC001463907782 1068561676 /nfs/dbraw/zinc/56/16/76/1068561676.db2.gz MLDRZGAUHONJBJ-RBUKOAKNSA-N 0 0 453.645 4.977 20 0 JJADRN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(OC(F)(F)F)c1 ZINC001463907021 1068561697 /nfs/dbraw/zinc/56/16/97/1068561697.db2.gz SXMISBFGTNNEJU-MRXNPFEDSA-N 0 0 450.360 4.974 20 0 JJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 ZINC001463914137 1068563469 /nfs/dbraw/zinc/56/34/69/1068563469.db2.gz KGEVBSCEJPHMCT-HNNXBMFYSA-N 0 0 455.942 4.645 20 0 JJADRN CC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC001463917592 1068565665 /nfs/dbraw/zinc/56/56/65/1068565665.db2.gz IVVBFYFOTHODPH-UHFFFAOYSA-N 0 0 458.349 4.616 20 0 JJADRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC001463917359 1068565681 /nfs/dbraw/zinc/56/56/81/1068565681.db2.gz URVVVBUJRWVPSX-SFHVURJKSA-N 0 0 456.543 4.527 20 0 JJADRN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccncc1NC(=O)C(F)(F)F ZINC001463924719 1068567300 /nfs/dbraw/zinc/56/73/00/1068567300.db2.gz LBYUTWJJGGCZNB-SFHVURJKSA-N 0 0 452.436 4.626 20 0 JJADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C=O)cc1)CC2 ZINC001463926811 1068567598 /nfs/dbraw/zinc/56/75/98/1068567598.db2.gz ZPBNYJMGXXRQSF-UPCLLVRISA-N 0 0 451.544 4.519 20 0 JJADRN CCC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001546142756 1068568260 /nfs/dbraw/zinc/56/82/60/1068568260.db2.gz QHSDQHZUYGXSSV-QHAWAJNXSA-N 0 0 475.678 4.882 20 0 JJADRN COc1ccc([C@H](CNC(=O)c2csc(Br)n2)c2c[nH]c3ccccc32)cc1 ZINC001463929637 1068568621 /nfs/dbraw/zinc/56/86/21/1068568621.db2.gz GOYUENJGFPYCRO-INIZCTEOSA-N 0 0 456.365 4.957 20 0 JJADRN COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)NC(C)C)cc2)c2c[nH]c3ccccc32)cc1 ZINC001463936063 1068570178 /nfs/dbraw/zinc/57/01/78/1068570178.db2.gz ZVCBLMOYGUEONS-XMMPIXPASA-N 0 0 455.558 4.877 20 0 JJADRN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2c(Cl)cccc2Br)cc1 ZINC001463934521 1068570259 /nfs/dbraw/zinc/57/02/59/1068570259.db2.gz GENMPHZZTIAJTG-AWEZNQCLSA-N 0 0 452.736 4.655 20 0 JJADRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC001463949989 1068572808 /nfs/dbraw/zinc/57/28/08/1068572808.db2.gz YDUQRBQEYWHRCW-LJQANCHMSA-N 0 0 457.502 4.632 20 0 JJADRN CCn1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001463950795 1068573137 /nfs/dbraw/zinc/57/31/37/1068573137.db2.gz LDYDOGGOMCHXCL-MOSHPQCFSA-N 0 0 453.951 4.781 20 0 JJADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(F)c(C(F)F)c1 ZINC001463950722 1068573191 /nfs/dbraw/zinc/57/31/91/1068573191.db2.gz KQQVRKZUGKIYRN-CXUHLZMHSA-N 0 0 454.857 4.883 20 0 JJADRN CCn1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC001463950787 1068573254 /nfs/dbraw/zinc/57/32/54/1068573254.db2.gz LDYDOGGOMCHXCL-DEDYPNTBSA-N 0 0 453.951 4.781 20 0 JJADRN CC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(OC)cc1 ZINC001463954604 1068574255 /nfs/dbraw/zinc/57/42/55/1068574255.db2.gz WIISYPBBTBMLLF-QIYXJHPLSA-N 0 0 458.967 4.695 20 0 JJADRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001463954155 1068574347 /nfs/dbraw/zinc/57/43/47/1068574347.db2.gz MOJMYHFRWSRBFD-UIBIWLFHSA-N 0 0 484.424 4.720 20 0 JJADRN CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC001463956040 1068575245 /nfs/dbraw/zinc/57/52/45/1068575245.db2.gz JGRFKUCZDGQVAO-UHFFFAOYSA-N 0 0 459.566 4.834 20 0 JJADRN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(Br)nc2n1CCCC2 ZINC001463957180 1068575426 /nfs/dbraw/zinc/57/54/26/1068575426.db2.gz PDEFBDNGFQKWIB-UHFFFAOYSA-N 0 0 452.658 4.829 20 0 JJADRN CC(C)Cc1ccc([C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1 ZINC001463965281 1068576658 /nfs/dbraw/zinc/57/66/58/1068576658.db2.gz XPTYDCWWNJXYHF-AREMUKBSSA-N 0 0 452.620 4.830 20 0 JJADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCCC1 ZINC001546143073 1068577125 /nfs/dbraw/zinc/57/71/25/1068577125.db2.gz XVNHOHZTTPLWSQ-PMACEKPBSA-N 0 0 461.651 4.588 20 0 JJADRN CC(C)(C)OCCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001463969486 1068577731 /nfs/dbraw/zinc/57/77/31/1068577731.db2.gz FTZGZWSZAIJLFS-WJDWOHSUSA-N 0 0 459.395 4.741 20 0 JJADRN O=C(NCC1(CC(=O)N2CCO[C@@H](c3ccccc3)C2)CCCCC1)OCc1ccccc1 ZINC001463970523 1068578236 /nfs/dbraw/zinc/57/82/36/1068578236.db2.gz GTVLQQKLMTZFGG-XMMPIXPASA-N 0 0 450.579 4.854 20 0 JJADRN COc1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1NS(C)(=O)=O ZINC001463988175 1068582048 /nfs/dbraw/zinc/58/20/48/1068582048.db2.gz IFLBOEHLYXINBB-UHFFFAOYSA-N 0 0 454.335 4.621 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C(C)(C)C1 ZINC001463989351 1068582351 /nfs/dbraw/zinc/58/23/51/1068582351.db2.gz PHXGEXNXWHXRSY-SFHVURJKSA-N 0 0 456.612 4.537 20 0 JJADRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCc2ccc(F)cc21 ZINC001463990986 1068582621 /nfs/dbraw/zinc/58/26/21/1068582621.db2.gz GYHULDHSDVSRAF-JTQLQIEISA-N 0 0 450.732 4.731 20 0 JJADRN COc1ccc(OC)c(CN2CCN(C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001463991774 1068582705 /nfs/dbraw/zinc/58/27/05/1068582705.db2.gz QVGQNPVMDPBQDP-KRWDZBQOSA-N 0 0 450.501 4.561 20 0 JJADRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(C(F)(F)F)c(O)c2)cc1 ZINC001463993300 1068583102 /nfs/dbraw/zinc/58/31/02/1068583102.db2.gz FDLJPBXZXGPTBV-UHFFFAOYSA-N 0 0 458.436 4.739 20 0 JJADRN COc1ccc(Cl)c(N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)c1 ZINC001463995020 1068583600 /nfs/dbraw/zinc/58/36/00/1068583600.db2.gz BSCFZIPAMAUXKY-UHFFFAOYSA-N 0 0 451.032 4.774 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCCC1 ZINC001463996886 1068583630 /nfs/dbraw/zinc/58/36/30/1068583630.db2.gz RNASIQZXZHBCEC-UHFFFAOYSA-N 0 0 457.615 4.729 20 0 JJADRN COc1cc(CNC(=O)c2cc(Br)cc(F)c2N)ccc1OCc1ccccc1 ZINC001463998531 1068584473 /nfs/dbraw/zinc/58/44/73/1068584473.db2.gz WPCZTOQVJYBYKE-UHFFFAOYSA-N 0 0 459.315 4.688 20 0 JJADRN CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)NCCCSc3ccccc3)C2)C1 ZINC001464003565 1068585487 /nfs/dbraw/zinc/58/54/87/1068585487.db2.gz ZRAAVOKAYZOXPQ-OTQYULQBSA-N 0 0 450.670 4.854 20 0 JJADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001464001867 1068585580 /nfs/dbraw/zinc/58/55/80/1068585580.db2.gz ZYJOAWBTYHMNCN-CZUORRHYSA-N 0 0 451.416 4.697 20 0 JJADRN CN([C@H](c1ncc[nH]1)c1ccc(F)cc1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464004275 1068586254 /nfs/dbraw/zinc/58/62/54/1068586254.db2.gz WQGJYCUMYPHUNL-IBGZPJMESA-N 0 0 455.477 4.551 20 0 JJADRN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1 ZINC001464007257 1068586945 /nfs/dbraw/zinc/58/69/45/1068586945.db2.gz TXDOMNJXEVIWDR-JOCHJYFZSA-N 0 0 458.580 4.986 20 0 JJADRN Cc1cc2cc(S(=O)(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@H]3C)ccc2nc1Cl ZINC001464006810 1068587148 /nfs/dbraw/zinc/58/71/48/1068587148.db2.gz VLYILQXSHXYZMD-IPMKNSEASA-N 0 0 458.027 4.869 20 0 JJADRN O=C(NC[C@H]1CCCCN1C(=O)c1cnc(-c2c(F)cccc2F)s1)Nc1ccccc1 ZINC001464009040 1068587591 /nfs/dbraw/zinc/58/75/91/1068587591.db2.gz WUMKFYRPQPDLHX-MRXNPFEDSA-N 0 0 456.518 4.905 20 0 JJADRN O=C(NCc1cccnc1N1CCOCC1)c1ccccc1Nc1ccc(Cl)c(Cl)c1 ZINC001464008238 1068587599 /nfs/dbraw/zinc/58/75/99/1068587599.db2.gz SJBUOCJMVLMZTB-UHFFFAOYSA-N 0 0 457.361 4.899 20 0 JJADRN CC1(C)C[C@@H](NS(=O)(=O)c2oc3ccccc3c2Br)c2cc(F)ccc2O1 ZINC001464013546 1068588875 /nfs/dbraw/zinc/58/88/75/1068588875.db2.gz HHWMOEPPYOEPJD-CQSZACIVSA-N 0 0 454.317 4.915 20 0 JJADRN COC(=O)c1ccc(Br)c(S(=O)(=O)N(CC(C)C)c2ccc(C)cc2C)c1 ZINC001464014275 1068589409 /nfs/dbraw/zinc/58/94/09/1068589409.db2.gz IFJYKXLAIMNUID-UHFFFAOYSA-N 0 0 454.386 4.704 20 0 JJADRN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(NC(=O)OC(C)C)cc2Cl)cc1C ZINC001464019339 1068591020 /nfs/dbraw/zinc/59/10/20/1068591020.db2.gz VTHUMCLVBSJAKB-UHFFFAOYSA-N 0 0 456.904 4.551 20 0 JJADRN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)s1 ZINC001464024344 1068592401 /nfs/dbraw/zinc/59/24/01/1068592401.db2.gz FCOILTAEDBQOOV-IRXDYDNUSA-N 0 0 458.605 4.564 20 0 JJADRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001464029539 1068593395 /nfs/dbraw/zinc/59/33/95/1068593395.db2.gz SXIMREISAHPCDL-FOIQADDNSA-N 0 0 480.424 4.999 20 0 JJADRN C[C@@H](CSc1ccccc1)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001464031226 1068593524 /nfs/dbraw/zinc/59/35/24/1068593524.db2.gz SMVSPHBVCRIKRM-KRWDZBQOSA-N 0 0 458.580 4.879 20 0 JJADRN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)co1 ZINC001464034571 1068595087 /nfs/dbraw/zinc/59/50/87/1068595087.db2.gz NMVSAKMVMGUZOJ-UHFFFAOYSA-N 0 0 454.552 4.576 20 0 JJADRN Cc1cccc(COc2cccc(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)c2)c1 ZINC001464037603 1068595654 /nfs/dbraw/zinc/59/56/54/1068595654.db2.gz RXDAIFJZILASIL-UHFFFAOYSA-N 0 0 458.967 4.780 20 0 JJADRN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001464035876 1068595704 /nfs/dbraw/zinc/59/57/04/1068595704.db2.gz UYFKQHZQZAZANR-AWEZNQCLSA-N 0 0 453.358 4.987 20 0 JJADRN CO[C@H](CS(=O)(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001464036768 1068595822 /nfs/dbraw/zinc/59/58/22/1068595822.db2.gz YLYQPKYVNVYMMI-NHCUHLMSSA-N 0 0 457.514 4.700 20 0 JJADRN O=C(c1cccc(Oc2ccncc2)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001464039280 1068596366 /nfs/dbraw/zinc/59/63/66/1068596366.db2.gz VFASJFBQRSVNJR-UHFFFAOYSA-N 0 0 456.329 4.779 20 0 JJADRN CS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccc(Br)cc3s2)cc1Cl ZINC001464038286 1068596436 /nfs/dbraw/zinc/59/64/36/1068596436.db2.gz WOLRNIXMKZQWPD-UHFFFAOYSA-N 0 0 459.774 4.941 20 0 JJADRN COc1ccc(OC)c2c1CN(C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C[C@@H]2O ZINC001464040565 1068596692 /nfs/dbraw/zinc/59/66/92/1068596692.db2.gz IEDQYNHFQFKGBJ-FQEVSTJZSA-N 0 0 455.595 4.753 20 0 JJADRN COc1ccc2c(c1)C=C(S(=O)(=O)N1CCO[C@@H](c3ccc(Br)cc3)[C@@H]1C)CC2 ZINC001464039881 1068596906 /nfs/dbraw/zinc/59/69/06/1068596906.db2.gz UVEWSMGVSQBJMU-OYHNWAKOSA-N 0 0 478.408 4.537 20 0 JJADRN Cc1ccc(C)c(OCC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 ZINC001464043585 1068598470 /nfs/dbraw/zinc/59/84/70/1068598470.db2.gz YRKCFXLEFRPDSX-UHFFFAOYSA-N 0 0 453.966 4.936 20 0 JJADRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC001464045494 1068599029 /nfs/dbraw/zinc/59/90/29/1068599029.db2.gz HMQGWSQMJFZQPX-IBGZPJMESA-N 0 0 458.946 4.630 20 0 JJADRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001464047787 1068599144 /nfs/dbraw/zinc/59/91/44/1068599144.db2.gz UCXPIVOGSADUBT-RUZDIDTESA-N 0 0 454.571 4.850 20 0 JJADRN CCN(Cc1ccc(OC)cc1OC)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464045950 1068599271 /nfs/dbraw/zinc/59/92/71/1068599271.db2.gz CLHXDWIQIMCTCX-IBGZPJMESA-N 0 0 454.567 4.981 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC001464051585 1068600348 /nfs/dbraw/zinc/60/03/48/1068600348.db2.gz CJNQZBMGZPWNJI-WOJBJXKFSA-N 0 0 466.550 4.696 20 0 JJADRN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@]2(CC)Cc2ccccc2)c(F)cc1Cl ZINC001464051955 1068600440 /nfs/dbraw/zinc/60/04/40/1068600440.db2.gz CQPGRMHVBMEBSM-QFIPXVFZSA-N 0 0 453.963 4.832 20 0 JJADRN CCOc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC001464052613 1068600967 /nfs/dbraw/zinc/60/09/67/1068600967.db2.gz CKSZLTUJFMXZRD-UHFFFAOYSA-N 0 0 457.530 4.885 20 0 JJADRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccccc2Cl)cc1 ZINC001464055957 1068601853 /nfs/dbraw/zinc/60/18/53/1068601853.db2.gz YXLKQIKEMGFACG-QHCPKHFHSA-N 0 0 450.000 4.577 20 0 JJADRN O=C(NCc1ccc(F)cc1F)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC001464058223 1068602254 /nfs/dbraw/zinc/60/22/54/1068602254.db2.gz WDPWXMXGGFORGM-UHFFFAOYSA-N 0 0 451.292 4.971 20 0 JJADRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NS(=O)(=O)CCc2ccccc2Cl)C1 ZINC001464059250 1068602300 /nfs/dbraw/zinc/60/23/00/1068602300.db2.gz ZZPHABXCLDLVMG-IFMALSPDSA-N 0 0 479.042 4.595 20 0 JJADRN Cc1cc(Br)c(S(=O)(=O)NCC2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC001464060510 1068603034 /nfs/dbraw/zinc/60/30/34/1068603034.db2.gz WBAKWVYTZZZEMZ-GHMZBOCLSA-N 0 0 453.240 4.871 20 0 JJADRN O=C(CCC1CCCC1)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC001464069522 1068605005 /nfs/dbraw/zinc/60/50/05/1068605005.db2.gz AHDMQGJVMOJNIK-UHFFFAOYSA-N 0 0 450.366 4.903 20 0 JJADRN Cc1ccc2ccccc2c1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001464071202 1068605054 /nfs/dbraw/zinc/60/50/54/1068605054.db2.gz DTOGFQNZKDYGMV-WBVHZDCISA-N 0 0 473.230 4.665 20 0 JJADRN COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(OC)c1OC ZINC001464073672 1068605676 /nfs/dbraw/zinc/60/56/76/1068605676.db2.gz LTCGCXOEWYVFDT-UHFFFAOYSA-N 0 0 450.491 4.846 20 0 JJADRN C[C@]12CCN(S(=O)(=O)c3cccc(Cl)c3Cl)C[C@H]1C2(Br)Br ZINC001464074306 1068606300 /nfs/dbraw/zinc/60/63/00/1068606300.db2.gz RCJHSKBLHFPNCR-PWSUYJOCSA-N 0 0 478.033 4.510 20 0 JJADRN CC[C@@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1ccccc1OC(F)F ZINC001464076471 1068606988 /nfs/dbraw/zinc/60/69/88/1068606988.db2.gz BDTJUVWINFZQTE-CQSZACIVSA-N 0 0 455.527 4.693 20 0 JJADRN Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@@H](C)c4cccc(Cl)c4)CC3)n2)cc1 ZINC001464076719 1068607065 /nfs/dbraw/zinc/60/70/65/1068607065.db2.gz QQPLUSOVPQGMRS-IBGZPJMESA-N 0 0 452.986 4.579 20 0 JJADRN COc1ccc(C(NC(=O)CCC(=O)c2ccc(OC)c(F)c2)c2ccc(OC)cc2)cc1 ZINC001464079009 1068607832 /nfs/dbraw/zinc/60/78/32/1068607832.db2.gz UQKOMLSNQOOXAZ-UHFFFAOYSA-N 0 0 451.494 4.720 20 0 JJADRN COc1cc(Br)ccc1[C@H]1CCCN1S(=O)(=O)c1cc(C)cc(C)c1OC ZINC001464080297 1068608308 /nfs/dbraw/zinc/60/83/08/1068608308.db2.gz IBWKFXIQVNVBNB-QGZVFWFLSA-N 0 0 454.386 4.609 20 0 JJADRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccc4ccccc4c3)c2)cc1 ZINC001464084362 1068608388 /nfs/dbraw/zinc/60/83/88/1068608388.db2.gz YCJFWSNVHRUPDF-UHFFFAOYSA-N 0 0 458.583 4.946 20 0 JJADRN Cc1cc(Br)c(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cc1Br ZINC001464080245 1068608411 /nfs/dbraw/zinc/60/84/11/1068608411.db2.gz XOMXFFJZTXPRJE-UHFFFAOYSA-N 0 0 451.118 4.868 20 0 JJADRN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c2ccccc12 ZINC001464085975 1068609100 /nfs/dbraw/zinc/60/91/00/1068609100.db2.gz CCAYZTBEVLZWPA-XMMPIXPASA-N 0 0 452.620 4.770 20 0 JJADRN CCN(Cc1cccc(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c1)C(=O)OC(C)(C)C ZINC001464089789 1068610916 /nfs/dbraw/zinc/61/09/16/1068610916.db2.gz UUVADBJTDQXSPM-IBGZPJMESA-N 0 0 455.580 4.650 20 0 JJADRN CCN(Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2OC)c1)C(=O)OC(C)(C)C ZINC001464089055 1068610936 /nfs/dbraw/zinc/61/09/36/1068610936.db2.gz QUARXSRQIJLQLY-UHFFFAOYSA-N 0 0 450.539 4.890 20 0 JJADRN Cc1ccc(Cl)c(S(=O)(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)c1 ZINC001464091519 1068612055 /nfs/dbraw/zinc/61/20/55/1068612055.db2.gz TUWPAYIQUMMNOS-UHFFFAOYSA-N 0 0 450.988 4.815 20 0 JJADRN COc1ccc(NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1NC(=O)OC(C)(C)C ZINC001464093123 1068612171 /nfs/dbraw/zinc/61/21/71/1068612171.db2.gz DIZBFMMWIIPUOT-UHFFFAOYSA-N 0 0 450.417 4.961 20 0 JJADRN COc1nsc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1Br ZINC001464094422 1068612650 /nfs/dbraw/zinc/61/26/50/1068612650.db2.gz YRLOANQSGJLHSF-PHDIDXHHSA-N 0 0 455.218 4.554 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001546144348 1068612684 /nfs/dbraw/zinc/61/26/84/1068612684.db2.gz JGCBNNFHYJMMFZ-FQEVSTJZSA-N 0 0 491.677 4.561 20 0 JJADRN Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)c(C)s1 ZINC001464096504 1068613200 /nfs/dbraw/zinc/61/32/00/1068613200.db2.gz QQGAPRDLEDOLRE-JLTOFOAXSA-N 0 0 457.596 4.634 20 0 JJADRN CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CCC1 ZINC001546144388 1068614662 /nfs/dbraw/zinc/61/46/62/1068614662.db2.gz JXUYPAJNJHZCIK-SFHVURJKSA-N 0 0 483.604 4.648 20 0 JJADRN Cc1nccc(-c2cccc(NC(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)c2)n1 ZINC001464105092 1068616679 /nfs/dbraw/zinc/61/66/79/1068616679.db2.gz DRXWCUYPLRQROV-UHFFFAOYSA-N 0 0 452.440 4.550 20 0 JJADRN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001464112146 1068618715 /nfs/dbraw/zinc/61/87/15/1068618715.db2.gz PDQDAUBEHYSDJC-UHFFFAOYSA-N 0 0 450.888 4.666 20 0 JJADRN Cc1cc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c(C=O)cc1Cl ZINC001464112046 1068618790 /nfs/dbraw/zinc/61/87/90/1068618790.db2.gz OAEOAUZOPPPNBM-INIZCTEOSA-N 0 0 459.347 4.830 20 0 JJADRN COc1c(C)cc(S(=O)(=O)N[C@H]2CCCSc3ccc(Br)cc32)cc1C ZINC001464115113 1068619919 /nfs/dbraw/zinc/61/99/19/1068619919.db2.gz WKCKVGGYODAHGC-KRWDZBQOSA-N 0 0 456.427 4.980 20 0 JJADRN CCCOc1ccc(S(=O)(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C(C)C ZINC001464119486 1068621214 /nfs/dbraw/zinc/62/12/14/1068621214.db2.gz XAAVIJGOCGIGCE-NRFANRHFSA-N 0 0 459.530 4.804 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)CCOCC1 ZINC001546144126 1068621855 /nfs/dbraw/zinc/62/18/55/1068621855.db2.gz DLPXEIHHJPWATK-UHFFFAOYSA-N 0 0 455.647 4.825 20 0 JJADRN C[C@@H]1c2ccccc2OCCN1S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001464122050 1068622383 /nfs/dbraw/zinc/62/23/83/1068622383.db2.gz IILRKIPBJDXSFY-CYBMUJFWSA-N 0 0 454.495 4.973 20 0 JJADRN CCN([C@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC001464126198 1068624955 /nfs/dbraw/zinc/62/49/55/1068624955.db2.gz XJAZKEAZBAJEHC-CQSZACIVSA-N 0 0 451.457 4.991 20 0 JJADRN O=S(=O)(N[C@H]1CCCCc2cc(Br)ccc21)c1ccc2onc(Cl)c2c1 ZINC001464128002 1068625437 /nfs/dbraw/zinc/62/54/37/1068625437.db2.gz YWLZWLQDDKMFHB-INIZCTEOSA-N 0 0 455.761 4.990 20 0 JJADRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001464127068 1068625477 /nfs/dbraw/zinc/62/54/77/1068625477.db2.gz GDXLRZGRTHFNGG-LJQANCHMSA-N 0 0 452.357 4.883 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC001464130284 1068626620 /nfs/dbraw/zinc/62/66/20/1068626620.db2.gz KPRMTMMMHWXXNG-ATIYNZHBSA-N 0 0 454.567 4.650 20 0 JJADRN CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC001546144601 1068627633 /nfs/dbraw/zinc/62/76/33/1068627633.db2.gz OILKGENJKLOUQX-GOSISDBHSA-N 0 0 484.588 4.806 20 0 JJADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CCCCC2)CCOCC1 ZINC001546144622 1068627795 /nfs/dbraw/zinc/62/77/95/1068627795.db2.gz OZIWEXNVDUMWGR-OAQYLSRUSA-N 0 0 491.677 4.562 20 0 JJADRN O=C(Nc1ccc(Br)cc1O)c1ccc(I)c(Cl)c1 ZINC001464133657 1068628722 /nfs/dbraw/zinc/62/87/22/1068628722.db2.gz CKBULHAWEYVFSQ-UHFFFAOYSA-N 0 0 452.473 4.665 20 0 JJADRN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC001464135780 1068629404 /nfs/dbraw/zinc/62/94/04/1068629404.db2.gz ZAZRMUCSDHFSHU-LJQANCHMSA-N 0 0 451.567 4.948 20 0 JJADRN Cc1cc([C@H](CC(=O)Nc2ccc(-c3nnco3)cc2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001464140963 1068631987 /nfs/dbraw/zinc/63/19/87/1068631987.db2.gz CVUKRVDUWMSNKQ-KRWDZBQOSA-N 0 0 457.918 4.688 20 0 JJADRN Cc1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1NS(=O)(=O)c1ccccc1 ZINC001464157581 1068636848 /nfs/dbraw/zinc/63/68/48/1068636848.db2.gz GFZLEBSODHKHIH-UHFFFAOYSA-N 0 0 456.951 4.565 20 0 JJADRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)cc1 ZINC001464162372 1068638901 /nfs/dbraw/zinc/63/89/01/1068638901.db2.gz FKOUOSFOXDKGSI-LOSJGSFVSA-N 0 0 452.639 4.735 20 0 JJADRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001464164521 1068639642 /nfs/dbraw/zinc/63/96/42/1068639642.db2.gz IPPDTKCLAXKNPK-UHFFFAOYSA-N 0 0 452.360 4.827 20 0 JJADRN Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)[C@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC001464164206 1068639738 /nfs/dbraw/zinc/63/97/38/1068639738.db2.gz GFPWWMPEGLFPNC-WOJBJXKFSA-N 0 0 451.013 4.808 20 0 JJADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC001464168553 1068641472 /nfs/dbraw/zinc/64/14/72/1068641472.db2.gz XQEUOEQVCAHVLY-WCQYABFASA-N 0 0 450.429 4.911 20 0 JJADRN C[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464167787 1068641548 /nfs/dbraw/zinc/64/15/48/1068641548.db2.gz QNMUQMFBLCWGNW-MDKPJZGXSA-N 0 0 452.555 4.811 20 0 JJADRN CCC1(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)[C@H](C)CCSC)CCOCC1 ZINC001546144518 1068641696 /nfs/dbraw/zinc/64/16/96/1068641696.db2.gz MZCRFEZAFQGYRK-NQIIRXRSSA-N 0 0 460.644 4.575 20 0 JJADRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)cc1Br ZINC001464170609 1068642127 /nfs/dbraw/zinc/64/21/27/1068642127.db2.gz AIHNFMNPHYUHMQ-UHFFFAOYSA-N 0 0 458.683 4.608 20 0 JJADRN Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001464171490 1068642144 /nfs/dbraw/zinc/64/21/44/1068642144.db2.gz AEQQECQNFPIXFX-UHFFFAOYSA-N 0 0 452.551 4.955 20 0 JJADRN O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001464172114 1068642204 /nfs/dbraw/zinc/64/22/04/1068642204.db2.gz LGRQOEGZLBPASA-CYBMUJFWSA-N 0 0 450.429 4.748 20 0 JJADRN C[C@H](CNC(=O)Cc1csc(-c2sccc2Br)n1)N(C)c1ccccc1 ZINC001464172187 1068642239 /nfs/dbraw/zinc/64/22/39/1068642239.db2.gz OERHBPDGQRYZTI-CYBMUJFWSA-N 0 0 450.427 4.818 20 0 JJADRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](C)N(C)c2ccccc2)c1 ZINC001464172080 1068642355 /nfs/dbraw/zinc/64/23/55/1068642355.db2.gz NNABBJMJSIEXME-NRFANRHFSA-N 0 0 454.574 4.862 20 0 JJADRN COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@]1(C)Cc1cccc(C)c1 ZINC001464174192 1068642854 /nfs/dbraw/zinc/64/28/54/1068642854.db2.gz SXXDQHGRNVQSGR-NRFANRHFSA-N 0 0 452.414 4.693 20 0 JJADRN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC001464173066 1068642867 /nfs/dbraw/zinc/64/28/67/1068642867.db2.gz XTGTUUYOMPNCIJ-GFCCVEGCSA-N 0 0 456.408 4.901 20 0 JJADRN CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)cc1 ZINC001464174821 1068642998 /nfs/dbraw/zinc/64/29/98/1068642998.db2.gz MGQYJFXABDJBGI-UHFFFAOYSA-N 0 0 450.485 4.656 20 0 JJADRN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCC(NC(=O)c3cc(C)on3)CC2)CCCC1 ZINC001546144564 1068643519 /nfs/dbraw/zinc/64/35/19/1068643519.db2.gz NMVWKZODNHBQLP-UHFFFAOYSA-N 0 0 456.635 4.532 20 0 JJADRN COC(=O)c1c(F)cccc1S(=O)(=O)N(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC001464176785 1068644124 /nfs/dbraw/zinc/64/41/24/1068644124.db2.gz ZETNLHYTTWMVLW-UHFFFAOYSA-N 0 0 458.536 4.546 20 0 JJADRN COc1c(C)cc(S(=O)(=O)Oc2cccc(OC(F)(F)F)c2Br)cc1C ZINC001464176907 1068644362 /nfs/dbraw/zinc/64/43/62/1068644362.db2.gz CTVJORXAEATNDU-UHFFFAOYSA-N 0 0 455.248 4.741 20 0 JJADRN C[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)N(C)c1ccccc1 ZINC001464179097 1068644873 /nfs/dbraw/zinc/64/48/73/1068644873.db2.gz YAKGBBMFIPGRAF-SFHVURJKSA-N 0 0 453.612 4.777 20 0 JJADRN COc1c(C)cc(C)cc1S(=O)(=O)Oc1cccc(OC(F)(F)F)c1Br ZINC001464180732 1068645771 /nfs/dbraw/zinc/64/57/71/1068645771.db2.gz PKHSBWGJEPPJMK-UHFFFAOYSA-N 0 0 455.248 4.741 20 0 JJADRN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001464187176 1068647519 /nfs/dbraw/zinc/64/75/19/1068647519.db2.gz WCCVARZCPDPFOC-LJQANCHMSA-N 0 0 452.551 4.630 20 0 JJADRN Cc1nc2ccccc2n1CCCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464187166 1068647526 /nfs/dbraw/zinc/64/75/26/1068647526.db2.gz VZIIQGTZFKDTCN-UHFFFAOYSA-N 0 0 457.303 4.721 20 0 JJADRN CCOc1ccccc1[C@H](CC(=O)Nc1cccc(-n2cccn2)c1)NC(=O)OC(C)(C)C ZINC001464189049 1068648410 /nfs/dbraw/zinc/64/84/10/1068648410.db2.gz OHZGVUCMDNRJCB-NRFANRHFSA-N 0 0 450.539 4.866 20 0 JJADRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1c(Br)nc2n1CCC2 ZINC001464189123 1068648829 /nfs/dbraw/zinc/64/88/29/1068648829.db2.gz QMZLGYVABUXZKU-UHFFFAOYSA-N 0 0 454.328 4.797 20 0 JJADRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCc1cccc(COCc2ccccc2)c1 ZINC001464194347 1068651564 /nfs/dbraw/zinc/65/15/64/1068651564.db2.gz QLSVOFKMISFSKE-HYBUGGRVSA-N 0 0 452.595 4.913 20 0 JJADRN CCCCCOc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)cc1C(C)C ZINC001464193638 1068651591 /nfs/dbraw/zinc/65/15/91/1068651591.db2.gz VASNKLJQJFGLJP-HSZRJFAPSA-N 0 0 459.608 4.840 20 0 JJADRN CCC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC001464198871 1068652696 /nfs/dbraw/zinc/65/26/96/1068652696.db2.gz KZNBKSCSJQZKQT-WOJBJXKFSA-N 0 0 452.414 4.633 20 0 JJADRN O=C(NCCNc1ncc(Cl)cc1Cl)c1cc(Br)cc(N2CCCC2)c1 ZINC001464198141 1068652740 /nfs/dbraw/zinc/65/27/40/1068652740.db2.gz BHSXRKORIQBILY-UHFFFAOYSA-N 0 0 458.187 4.593 20 0 JJADRN CC(C)NC(=O)Nc1ccccc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464200046 1068654335 /nfs/dbraw/zinc/65/43/35/1068654335.db2.gz UVNUKJIXIKKNFD-IBGZPJMESA-N 0 0 454.571 4.681 20 0 JJADRN C[C@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCN(c2ccccc2)CC1 ZINC001464202057 1068655033 /nfs/dbraw/zinc/65/50/33/1068655033.db2.gz ULPGJCKHNGBKCE-LJQANCHMSA-N 0 0 451.517 4.698 20 0 JJADRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)C1 ZINC001464203758 1068655549 /nfs/dbraw/zinc/65/55/49/1068655549.db2.gz ZDWOBOLFBPSLOQ-OAHLLOKOSA-N 0 0 455.502 4.796 20 0 JJADRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)C1 ZINC001464205861 1068656697 /nfs/dbraw/zinc/65/66/97/1068656697.db2.gz IPYXZSSAHGCOPA-OAQYLSRUSA-N 0 0 452.942 4.543 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)[C@H](C)N2CCSCC2)N2CCc3sccc3C2)cc1 ZINC001464206511 1068656718 /nfs/dbraw/zinc/65/67/18/1068656718.db2.gz KTMCJCGFTUHXME-CVDCTZTESA-N 0 0 457.709 4.524 20 0 JJADRN CC(C)c1ccc([C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N2CCc3sccc3C2)cc1 ZINC001464206562 1068656743 /nfs/dbraw/zinc/65/67/43/1068656743.db2.gz LFJYYTNTLIIJIE-AVRDEDQJSA-N 0 0 455.668 4.638 20 0 JJADRN COc1cc(C)c(S(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1C(C)C ZINC001464207326 1068657464 /nfs/dbraw/zinc/65/74/64/1068657464.db2.gz SUGDGIJQLAIFNS-TYCQWZJGSA-N 0 0 450.398 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CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)C(C)(C)C ZINC001464218883 1068661724 /nfs/dbraw/zinc/66/17/24/1068661724.db2.gz VMMKWVBGQMFMMA-IBGZPJMESA-N 0 0 452.542 4.716 20 0 JJADRN CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](c2cccc(C)c2)C(C)C)c1 ZINC001464220354 1068663139 /nfs/dbraw/zinc/66/31/39/1068663139.db2.gz UAZCVFGUXHIVKG-LJQANCHMSA-N 0 0 454.386 4.610 20 0 JJADRN Cc1ccc(S(=O)(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC001464221264 1068663148 /nfs/dbraw/zinc/66/31/48/1068663148.db2.gz XVSVCSILZBGXRI-QGZVFWFLSA-N 0 0 455.329 4.902 20 0 JJADRN COc1c(N)c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc(Cl)c1Br ZINC001464223554 1068664413 /nfs/dbraw/zinc/66/44/13/1068664413.db2.gz BQKQEYIOVHRSHA-UHFFFAOYSA-N 0 0 452.736 4.603 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCc3cccc(OCc4ccccn4)c3)cc21 ZINC001464224677 1068665145 /nfs/dbraw/zinc/66/51/45/1068665145.db2.gz UCTNTLNIYPNLJE-UHFFFAOYSA-N 0 0 459.546 4.888 20 0 JJADRN Cc1cccc(NC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)N1CCCC1 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NGFRLQYQIUMAMG-UHFFFAOYSA-N 0 0 454.379 4.957 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C(=O)OC)cc1 ZINC001464489777 1068764010 /nfs/dbraw/zinc/76/40/10/1068764010.db2.gz LPQCACJRYIIJFI-IBGZPJMESA-N 0 0 452.938 4.562 20 0 JJADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)C1 ZINC001464490106 1068764453 /nfs/dbraw/zinc/76/44/53/1068764453.db2.gz SVOPLOVKJNCCKS-JKSUJKDBSA-N 0 0 451.995 4.844 20 0 JJADRN CCOC(=O)c1ccc(N2CCCN(C(=O)[C@@H](CC(C)C)c3ccc(Cl)cc3)CC2)nc1 ZINC001464491538 1068765142 /nfs/dbraw/zinc/76/51/42/1068765142.db2.gz VBAUCGRMAOXBRW-QFIPXVFZSA-N 0 0 458.002 4.780 20 0 JJADRN CCOC(=O)c1ccc(N2CCCN(C(=O)[C@H](CC(C)C)c3ccc(Cl)cc3)CC2)nc1 ZINC001464491536 1068765195 /nfs/dbraw/zinc/76/51/95/1068765195.db2.gz VBAUCGRMAOXBRW-JOCHJYFZSA-N 0 0 458.002 4.780 20 0 JJADRN CCOc1ccc(C[C@@H](CNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C(=O)OC)cc1 ZINC001464491955 1068765260 /nfs/dbraw/zinc/76/52/60/1068765260.db2.gz RXKLDVFAKQESTJ-KRWDZBQOSA-N 0 0 451.485 4.530 20 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C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001464543868 1068777306 /nfs/dbraw/zinc/77/73/06/1068777306.db2.gz PZNRVBPHZCFYGX-HMXCVIKNSA-N 0 0 479.662 4.518 20 0 JJADRN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC001464545247 1068777905 /nfs/dbraw/zinc/77/79/05/1068777905.db2.gz RSHYTQAQEUGRJX-NRFANRHFSA-N 0 0 458.599 4.894 20 0 JJADRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1sc2nc(C)nc(N)c2c1C ZINC001464546039 1068778288 /nfs/dbraw/zinc/77/82/88/1068778288.db2.gz SRSOQOYSYZPHIF-UHFFFAOYSA-N 0 0 452.511 4.869 20 0 JJADRN Cc1cc(S(=O)(=O)NCc2cc(Br)ccc2Cl)ccc1Br ZINC001464546088 1068778360 /nfs/dbraw/zinc/77/83/60/1068778360.db2.gz DLYPCSHIRXABMY-UHFFFAOYSA-N 0 0 453.583 4.652 20 0 JJADRN COCCN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001464546450 1068778409 /nfs/dbraw/zinc/77/84/09/1068778409.db2.gz IXUQEUYFMKPIFV-KATXQCMRSA-N 0 0 470.532 4.791 20 0 JJADRN Cc1ccc(NC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc1NC(=O)c1ccncc1 ZINC001464547868 1068778441 /nfs/dbraw/zinc/77/84/41/1068778441.db2.gz JJRJCEREQVPQAO-OAQYLSRUSA-N 0 0 452.555 4.761 20 0 JJADRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC001464551762 1068779038 /nfs/dbraw/zinc/77/90/38/1068779038.db2.gz WKOJWEQMBWQYQJ-NQIIRXRSSA-N 0 0 456.583 4.716 20 0 JJADRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc2c([nH]1)c(C)ccc2Br ZINC001464556080 1068780751 /nfs/dbraw/zinc/78/07/51/1068780751.db2.gz CNIFYFMXNZPQDW-UHFFFAOYSA-N 0 0 456.340 4.736 20 0 JJADRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC001546147872 1068781345 /nfs/dbraw/zinc/78/13/45/1068781345.db2.gz XZYAEXWJUHCOIH-PKHCJMHPSA-N 0 0 452.542 4.503 20 0 JJADRN CC(C)(C)OC(=O)Nc1ccnc(CNS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC001464560455 1068781919 /nfs/dbraw/zinc/78/19/19/1068781919.db2.gz JMVHZHZDQONBRB-UHFFFAOYSA-N 0 0 453.973 4.775 20 0 JJADRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001464560047 1068782006 /nfs/dbraw/zinc/78/20/06/1068782006.db2.gz GGFLRDLNPPLVIH-ZEQRLZLVSA-N 0 0 452.595 4.994 20 0 JJADRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1COc2ccc(Br)cc21 ZINC001464561771 1068782497 /nfs/dbraw/zinc/78/24/97/1068782497.db2.gz HUEIPTKDDOWHIU-IBGZPJMESA-N 0 0 458.356 4.972 20 0 JJADRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1N ZINC001464563317 1068783041 /nfs/dbraw/zinc/78/30/41/1068783041.db2.gz KYXBQVWDWRFJHH-OAQYLSRUSA-N 0 0 454.574 4.796 20 0 JJADRN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC001464563865 1068783068 /nfs/dbraw/zinc/78/30/68/1068783068.db2.gz XVWMUYNDZRLTPA-IBGZPJMESA-N 0 0 456.493 4.759 20 0 JJADRN CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)Nc1ccccc1CN1CCSCC1 ZINC001464566234 1068783696 /nfs/dbraw/zinc/78/36/96/1068783696.db2.gz QXPJSVGDRMWMSM-UHFFFAOYSA-N 0 0 453.608 4.785 20 0 JJADRN COc1ccc(CC[C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC001464567974 1068784709 /nfs/dbraw/zinc/78/47/09/1068784709.db2.gz ULDSGGXOUSNQJR-IBGZPJMESA-N 0 0 452.576 4.556 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCOc1ccc(F)cc1F ZINC001464569973 1068785718 /nfs/dbraw/zinc/78/57/18/1068785718.db2.gz GOVOAQMRLOUXRY-WOJBJXKFSA-N 0 0 452.542 4.904 20 0 JJADRN Cn1nc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1NC(=O)OC(C)(C)C ZINC001464571581 1068786128 /nfs/dbraw/zinc/78/61/28/1068786128.db2.gz UQGHIOYRNNTJHK-OAHLLOKOSA-N 0 0 453.568 4.748 20 0 JJADRN O=S(=O)(NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001464572406 1068786736 /nfs/dbraw/zinc/78/67/36/1068786736.db2.gz IYTQFYQGMIHTBZ-UHFFFAOYSA-N 0 0 458.811 4.545 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001464571919 1068786783 /nfs/dbraw/zinc/78/67/83/1068786783.db2.gz OVIVGAQTKPBBLY-ZRBLBEILSA-N 0 0 455.599 4.577 20 0 JJADRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001464571907 1068786884 /nfs/dbraw/zinc/78/68/84/1068786884.db2.gz OVIVGAQTKPBBLY-VJBWXMMDSA-N 0 0 455.599 4.577 20 0 JJADRN CCCCn1nccc1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001464572059 1068786896 /nfs/dbraw/zinc/78/68/96/1068786896.db2.gz FXPGTOCMCXOQBE-UHFFFAOYSA-N 0 0 454.596 4.524 20 0 JJADRN CCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H](C)C(=O)Nc1ccccc1 ZINC001464574534 1068787702 /nfs/dbraw/zinc/78/77/02/1068787702.db2.gz BCFRLICVFHHYJL-HNNXBMFYSA-N 0 0 457.983 4.550 20 0 JJADRN CN(Cc1ccccc1Oc1ccc(Br)cc1F)S(=O)(=O)N1CCCCC1 ZINC001464578917 1068789884 /nfs/dbraw/zinc/78/98/84/1068789884.db2.gz BNXOHHYPVHBDAV-UHFFFAOYSA-N 0 0 457.365 4.543 20 0 JJADRN CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)ccc21 ZINC001464581189 1068789950 /nfs/dbraw/zinc/78/99/50/1068789950.db2.gz WIBPVIFECIBPAW-UHFFFAOYSA-N 0 0 457.552 4.890 20 0 JJADRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC001464580120 1068790423 /nfs/dbraw/zinc/79/04/23/1068790423.db2.gz WETQFGOUKXEMCC-KSFYIVLOSA-N 0 0 457.398 4.916 20 0 JJADRN CC(C)(C)OC(=O)NCCCCn1cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)nn1 ZINC001464580275 1068790439 /nfs/dbraw/zinc/79/04/39/1068790439.db2.gz XOCFHGOBHPQMGB-UHFFFAOYSA-N 0 0 456.591 4.580 20 0 JJADRN Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1C ZINC001464587265 1068792004 /nfs/dbraw/zinc/79/20/04/1068792004.db2.gz YZYMVFYPYIFFOQ-UHFFFAOYSA-N 0 0 456.590 4.516 20 0 JJADRN COc1cc(OC)c(S(=O)(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1Cl ZINC001464591632 1068793132 /nfs/dbraw/zinc/79/31/32/1068793132.db2.gz MGMROIDHZHNXAY-UHFFFAOYSA-N 0 0 459.033 4.680 20 0 JJADRN CCC1(Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccc(Cl)cc2)CCOCC1 ZINC001546148072 1068793162 /nfs/dbraw/zinc/79/31/62/1068793162.db2.gz DIPOIOYRPNQXGI-UHFFFAOYSA-N 0 0 454.018 4.803 20 0 JJADRN CCC1(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CCOCC1 ZINC001546148052 1068793246 /nfs/dbraw/zinc/79/32/46/1068793246.db2.gz CRQWMLQCMMPJPV-AREMUKBSSA-N 0 0 470.658 4.726 20 0 JJADRN COc1ccc(Cl)cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC001464602398 1068796217 /nfs/dbraw/zinc/79/62/17/1068796217.db2.gz VHTPEJADGABWOS-QFIPXVFZSA-N 0 0 452.938 4.503 20 0 JJADRN O=S(=O)(c1csc2ccc(Cl)cc21)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC001464602870 1068796291 /nfs/dbraw/zinc/79/62/91/1068796291.db2.gz PPERTALQUMABRK-CYBMUJFWSA-N 0 0 458.790 4.633 20 0 JJADRN CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602372 1068796468 /nfs/dbraw/zinc/79/64/68/1068796468.db2.gz LDKAPRAECCJCCG-INIZCTEOSA-N 0 0 452.396 4.736 20 0 JJADRN CCOc1ccccc1[C@@H](CC(=O)N(C)c1ccc(OC)c(OC)c1)NC(=O)OC(C)(C)C ZINC001464604425 1068796910 /nfs/dbraw/zinc/79/69/10/1068796910.db2.gz RAMUTANTXLHXJM-LJQANCHMSA-N 0 0 458.555 4.721 20 0 JJADRN CC(C)(NC(=O)c1cc(I)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC001464609937 1068798040 /nfs/dbraw/zinc/79/80/40/1068798040.db2.gz OTZUPPZSCQOENT-UHFFFAOYSA-N 0 0 450.103 4.969 20 0 JJADRN CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCCCCOCc3ccccc3)ccc2C1 ZINC001464609964 1068798217 /nfs/dbraw/zinc/79/82/17/1068798217.db2.gz PJXDHYHDOWPSCQ-UHFFFAOYSA-N 0 0 454.567 4.543 20 0 JJADRN O=C(CCC(=O)N1CCC(O)CC1)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC001464610523 1068798580 /nfs/dbraw/zinc/79/85/80/1068798580.db2.gz GXTAXFCWPAKEFH-UHFFFAOYSA-N 0 0 455.313 4.627 20 0 JJADRN CSCCCCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001464611080 1068798604 /nfs/dbraw/zinc/79/86/04/1068798604.db2.gz BAGLHHINVWQHOW-QGZVFWFLSA-N 0 0 450.601 4.715 20 0 JJADRN CSCCCCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001464611075 1068798645 /nfs/dbraw/zinc/79/86/45/1068798645.db2.gz BAGLHHINVWQHOW-KRWDZBQOSA-N 0 0 450.601 4.715 20 0 JJADRN CC(C)c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001464612880 1068799178 /nfs/dbraw/zinc/79/91/78/1068799178.db2.gz GKODUSJGODTOAZ-OAQYLSRUSA-N 0 0 454.368 4.972 20 0 JJADRN O=C(c1cc(OCc2ccccc2)ccn1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464613934 1068799295 /nfs/dbraw/zinc/79/92/95/1068799295.db2.gz LRAASRWKYWCKIE-QFIPXVFZSA-N 0 0 453.336 4.637 20 0 JJADRN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ncc(C)c(OC)c2C)c1 ZINC001464614665 1068799822 /nfs/dbraw/zinc/79/98/22/1068799822.db2.gz YBSFVBPOYNBSIP-UHFFFAOYSA-N 0 0 456.546 4.807 20 0 JJADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC001464617288 1068800868 /nfs/dbraw/zinc/80/08/68/1068800868.db2.gz HWLCAPVAEJTEJH-UHFFFAOYSA-N 0 0 450.608 4.914 20 0 JJADRN Cc1ccc(Sc2ccc(N3CCN(S(=O)(=O)CCC(F)(F)F)CC3)cc2)c(C)c1 ZINC001464617698 1068800914 /nfs/dbraw/zinc/80/09/14/1068800914.db2.gz MGJWYYMLNLXVEC-UHFFFAOYSA-N 0 0 458.571 4.859 20 0 JJADRN Cc1cnc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC001464617685 1068800956 /nfs/dbraw/zinc/80/09/56/1068800956.db2.gz WVAQIQRGNNYQLL-SFHVURJKSA-N 0 0 453.539 4.507 20 0 JJADRN C[C@H]1Cc2ccccc2N1CCNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC001464619750 1068801270 /nfs/dbraw/zinc/80/12/70/1068801270.db2.gz XMBHEPSGELRJSZ-INIZCTEOSA-N 0 0 452.352 4.817 20 0 JJADRN O=S(=O)(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1ccc(Cl)c(F)c1 ZINC001464619422 1068801408 /nfs/dbraw/zinc/80/14/08/1068801408.db2.gz IGJJUTWNMTYGDW-UHFFFAOYSA-N 0 0 451.857 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OCCC(F)(F)F)c2ccccc21 ZINC001464624781 1068802404 /nfs/dbraw/zinc/80/24/04/1068802404.db2.gz OGRBZHBHAXBXBD-JKSUJKDBSA-N 0 0 458.477 4.705 20 0 JJADRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)C1 ZINC001464625051 1068802680 /nfs/dbraw/zinc/80/26/80/1068802680.db2.gz GYGAIHGFVXJQMJ-CTNGQTDRSA-N 0 0 456.656 4.631 20 0 JJADRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(S(=O)(=O)CCCc2ccccc2)C1 ZINC001464626183 1068803151 /nfs/dbraw/zinc/80/31/51/1068803151.db2.gz RKHLSPATUGIKRL-NRFANRHFSA-N 0 0 458.624 4.543 20 0 JJADRN CC(C)(C)c1ccc(-c2nc(NC(=O)c3nc4ccc(Br)cn4c3F)n[nH]2)cc1 ZINC001464632646 1068804576 /nfs/dbraw/zinc/80/45/76/1068804576.db2.gz LWKAUNLJKUOJCN-UHFFFAOYSA-N 0 0 457.307 4.571 20 0 JJADRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC001464633036 1068804698 /nfs/dbraw/zinc/80/46/98/1068804698.db2.gz ULEKMIFIVBYEDB-YCRPNKLZSA-N 0 0 454.368 4.943 20 0 JJADRN O=C(Cc1ccc(NC(=O)c2ncc(Br)s2)cc1)N1CCCc2ccccc21 ZINC001464633813 1068805250 /nfs/dbraw/zinc/80/52/50/1068805250.db2.gz XNOAFDNWCGYFNV-UHFFFAOYSA-N 0 0 456.365 4.680 20 0 JJADRN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC001464638893 1068807400 /nfs/dbraw/zinc/80/74/00/1068807400.db2.gz MADMIGNJZPCWTO-KRWDZBQOSA-N 0 0 458.436 4.880 20 0 JJADRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC001464641131 1068808005 /nfs/dbraw/zinc/80/80/05/1068808005.db2.gz HCTVRAMDVCNDMA-UHFFFAOYSA-N 0 0 458.946 4.621 20 0 JJADRN CC(C)n1c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2nc1C(F)(F)F ZINC001464640576 1068808202 /nfs/dbraw/zinc/80/82/02/1068808202.db2.gz PBTSFNSSYGECPK-SFHVURJKSA-N 0 0 458.484 4.671 20 0 JJADRN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 ZINC001464641719 1068808382 /nfs/dbraw/zinc/80/83/82/1068808382.db2.gz QZKTYMHXZIWTJR-UHFFFAOYSA-N 0 0 452.461 4.578 20 0 JJADRN CCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC001464641394 1068808556 /nfs/dbraw/zinc/80/85/56/1068808556.db2.gz ZCAFWTJKKUFHRQ-UHFFFAOYSA-N 0 0 458.986 4.906 20 0 JJADRN Cc1ccccc1C[C@H](C)NC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 ZINC001464645240 1068809932 /nfs/dbraw/zinc/80/99/32/1068809932.db2.gz NWTJZGGTPPYIFC-HNNXBMFYSA-N 0 0 455.352 4.885 20 0 JJADRN CCC(=O)Nc1ccc(NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)cc1 ZINC001464646482 1068810542 /nfs/dbraw/zinc/81/05/42/1068810542.db2.gz RVJVNWGPFGAHIG-UHFFFAOYSA-N 0 0 455.555 4.510 20 0 JJADRN O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1COCC[C@@H]1c1ccccc1 ZINC001464648952 1068811036 /nfs/dbraw/zinc/81/10/36/1068811036.db2.gz CMGVAUJVWJWBID-OAHLLOKOSA-N 0 0 451.169 4.866 20 0 JJADRN Cc1ccccc1COc1cccc(CC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001464651015 1068811632 /nfs/dbraw/zinc/81/16/32/1068811632.db2.gz DQEMUWKTFSDIET-UHFFFAOYSA-N 0 0 458.558 4.850 20 0 JJADRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464651431 1068812203 /nfs/dbraw/zinc/81/22/03/1068812203.db2.gz YJQCVDHYJPTUQK-SUBFFHDQSA-N 0 0 452.599 4.923 20 0 JJADRN O=S(=O)(NCCc1cc(F)cc(OCc2ccccc2)c1)c1cnc(Cl)cc1Cl ZINC001464654729 1068813348 /nfs/dbraw/zinc/81/33/48/1068813348.db2.gz QQSSFKXNZLAFAJ-UHFFFAOYSA-N 0 0 455.338 4.628 20 0 JJADRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cn4c(Br)cnc4s3)cc2)cc1 ZINC001464656947 1068813712 /nfs/dbraw/zinc/81/37/12/1068813712.db2.gz OGPBPZYIJDREHR-UHFFFAOYSA-N 0 0 456.321 4.938 20 0 JJADRN Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(F)c(Br)c(Cl)c3)CC2)c1 ZINC001464656215 1068813756 /nfs/dbraw/zinc/81/37/56/1068813756.db2.gz OVBJOKDFYBPZCB-UHFFFAOYSA-N 0 0 454.727 4.540 20 0 JJADRN CCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001546148486 1068813836 /nfs/dbraw/zinc/81/38/36/1068813836.db2.gz RTUXNQGCGMBXQQ-HXUWFJFHSA-N 0 0 471.621 4.891 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001464658427 1068814310 /nfs/dbraw/zinc/81/43/10/1068814310.db2.gz QIYHYUDARFXIKW-YCRPNKLZSA-N 0 0 450.482 4.639 20 0 JJADRN CCOc1ccc2nc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)sc2c1 ZINC001464658187 1068814327 /nfs/dbraw/zinc/81/43/27/1068814327.db2.gz VFQFUBZHLPTWRG-CYBMUJFWSA-N 0 0 450.347 4.993 20 0 JJADRN CCc1cccc2c1OCC[C@@H]2NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001464658418 1068814488 /nfs/dbraw/zinc/81/44/88/1068814488.db2.gz QIYHYUDARFXIKW-BTYIYWSLSA-N 0 0 450.482 4.639 20 0 JJADRN O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)c1ccc(Br)[nH]c1=O ZINC001464659368 1068814860 /nfs/dbraw/zinc/81/48/60/1068814860.db2.gz JBIGYQGYDFYWGV-UHFFFAOYSA-N 0 0 459.321 4.724 20 0 JJADRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC001464659071 1068814920 /nfs/dbraw/zinc/81/49/20/1068814920.db2.gz ZINYTCRLORQLKR-UHFFFAOYSA-N 0 0 457.502 4.744 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)CCc3ncc(-c4ccccc4Cl)o3)co2)cc1 ZINC001464661600 1068815388 /nfs/dbraw/zinc/81/53/88/1068815388.db2.gz NWEMZWKVGYMDFW-UHFFFAOYSA-N 0 0 451.910 4.950 20 0 JJADRN Cc1cc(C)cc(CS(=O)(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC001464660150 1068815473 /nfs/dbraw/zinc/81/54/73/1068815473.db2.gz DRUVDDGXWHRIQD-NRFANRHFSA-N 0 0 450.645 4.683 20 0 JJADRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 ZINC001464662438 1068816008 /nfs/dbraw/zinc/81/60/08/1068816008.db2.gz JIVCZTJNCUSFTL-HTAPYJJXSA-N 0 0 457.036 4.921 20 0 JJADRN Cc1ccc(O)c(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)c1 ZINC001464662045 1068816112 /nfs/dbraw/zinc/81/61/12/1068816112.db2.gz BQCYZIFAWZYOET-HXUWFJFHSA-N 0 0 457.299 4.712 20 0 JJADRN CSc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001464665142 1068817165 /nfs/dbraw/zinc/81/71/65/1068817165.db2.gz RONJZRVKWRMIMY-LJQANCHMSA-N 0 0 454.658 4.647 20 0 JJADRN CCN(CC)c1nc2sc(C(=O)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc2s1 ZINC001464667635 1068817838 /nfs/dbraw/zinc/81/78/38/1068817838.db2.gz QMPKIDFCCNYODN-CQSZACIVSA-N 0 0 452.646 4.676 20 0 JJADRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC001464667956 1068817989 /nfs/dbraw/zinc/81/79/89/1068817989.db2.gz SOYOUZMZFRFHCD-QGZVFWFLSA-N 0 0 458.986 4.933 20 0 JJADRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC001464668679 1068818516 /nfs/dbraw/zinc/81/85/16/1068818516.db2.gz VOJUWQPQXVZMCA-OAQYLSRUSA-N 0 0 459.612 4.823 20 0 JJADRN CCc1ccc(-c2cc(C(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)no2)cc1 ZINC001464668510 1068818586 /nfs/dbraw/zinc/81/85/86/1068818586.db2.gz KRMYYIHOHRTEAH-GOSISDBHSA-N 0 0 450.514 4.717 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2sccc2Br)c2ccccc21 ZINC001464669567 1068818976 /nfs/dbraw/zinc/81/89/76/1068818976.db2.gz CGUHLGRVRDVVDH-CYBMUJFWSA-N 0 0 458.399 4.535 20 0 JJADRN COc1ccc(-c2nc(CCNC(=O)C3(c4cc(OC)cc(OC)c4)CCCC3)co2)cc1 ZINC001464669658 1068818999 /nfs/dbraw/zinc/81/89/99/1068818999.db2.gz NXEOQXWDZLCNAM-UHFFFAOYSA-N 0 0 450.535 4.538 20 0 JJADRN CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)c2ccccc21 ZINC001464674998 1068820203 /nfs/dbraw/zinc/82/02/03/1068820203.db2.gz RRRDGGMDOHPYNT-OAHLLOKOSA-N 0 0 457.470 4.610 20 0 JJADRN C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464676245 1068821468 /nfs/dbraw/zinc/82/14/68/1068821468.db2.gz IKDDTIRNKYBFFF-DLBZAZTESA-N 0 0 452.636 4.532 20 0 JJADRN C[C@H](NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464679733 1068822557 /nfs/dbraw/zinc/82/25/57/1068822557.db2.gz YHCZMSKDJVVKIQ-QOKNQOGYSA-N 0 0 454.489 4.545 20 0 JJADRN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 ZINC001464681768 1068822963 /nfs/dbraw/zinc/82/29/63/1068822963.db2.gz WUPJJBZGSOEXQY-UHFFFAOYSA-N 0 0 456.477 4.551 20 0 JJADRN CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3CCc4c(Br)cccc4C3)c2C1 ZINC001464681300 1068822993 /nfs/dbraw/zinc/82/29/93/1068822993.db2.gz ZBQUPRDUTWEKJZ-UHFFFAOYSA-N 0 0 457.368 4.898 20 0 JJADRN Cc1ccccc1C1(CNC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CCCCC1 ZINC001464683654 1068823543 /nfs/dbraw/zinc/82/35/43/1068823543.db2.gz HQIYSDSGQUNRGO-JOCHJYFZSA-N 0 0 454.615 4.655 20 0 JJADRN 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1068825653 /nfs/dbraw/zinc/82/56/53/1068825653.db2.gz JZUMVXIGLANLCU-VQTJNVASSA-N 0 0 450.579 4.579 20 0 JJADRN CCC(CC)(NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(Cl)cc1 ZINC001464688020 1068825765 /nfs/dbraw/zinc/82/57/65/1068825765.db2.gz OQUYONDMPRPTKD-UHFFFAOYSA-N 0 0 451.748 4.879 20 0 JJADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)c3cccc(Br)c3)C2)cc1 ZINC001464690301 1068826380 /nfs/dbraw/zinc/82/63/80/1068826380.db2.gz KANDYKXIMMZMCM-ZWKOTPCHSA-N 0 0 458.400 4.921 20 0 JJADRN CC[C@H](C(=O)N1CCC(NC(=O)c2c(C)nc(C(C)C)nc2SC)CC1)c1ccccc1 ZINC001464694264 1068827292 /nfs/dbraw/zinc/82/72/92/1068827292.db2.gz KAZHJXJQZWIOCP-FQEVSTJZSA-N 0 0 454.640 4.545 20 0 JJADRN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC001464695445 1068827865 /nfs/dbraw/zinc/82/78/65/1068827865.db2.gz STQBJEHLRWGIDG-ICSRJNTNSA-N 0 0 459.365 4.939 20 0 JJADRN CCc1cc(C(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)ccc1Br ZINC001464699931 1068829106 /nfs/dbraw/zinc/82/91/06/1068829106.db2.gz 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COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1OC ZINC001464723438 1068839007 /nfs/dbraw/zinc/83/90/07/1068839007.db2.gz GMKJIYRZOLSPFL-BIRZXAFVSA-N 0 0 472.626 4.567 20 0 JJADRN COc1cccc(-n2c3nnc(SCc4cc(=O)oc5cc(C)ccc45)n3c3ccccc3c2=O)c1 ZINC000003358898 194299405 /nfs/dbraw/zinc/29/94/05/194299405.db2.gz HKLFGHCDUSUJRL-UHFFFAOYSA-N 0 0 496.548 4.749 20 0 JJADRN Cc1ccccc1-c1cc(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)n(Cc2ccccc2)n1 ZINC000060358792 195415788 /nfs/dbraw/zinc/41/57/88/195415788.db2.gz VZLKNSXKJZUCOR-UHFFFAOYSA-N 0 0 465.557 4.997 20 0 JJADRN O=S(=O)(Nc1ccccc1I)c1ccc(Br)cc1Cl ZINC000016101386 527255048 /nfs/dbraw/zinc/25/50/48/527255048.db2.gz MPZQBJMCRRRRNP-UHFFFAOYSA-N 0 0 472.529 4.508 20 0 JJADRN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)ccc12 ZINC000002618110 562925585 /nfs/dbraw/zinc/92/55/85/562925585.db2.gz YYTKXZLYGGYZRM-UHFFFAOYSA-N 0 0 454.526 4.643 20 0 JJADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)n2)n1 ZINC000002657088 562925814 /nfs/dbraw/zinc/92/58/14/562925814.db2.gz ADRKRBBOXWXEAY-UHFFFAOYSA-N 0 0 461.957 4.775 20 0 JJADRN Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(N)cc2)CC1 ZINC000013863942 563003601 /nfs/dbraw/zinc/00/36/01/563003601.db2.gz SHRZPPGBHUQHFN-UQQQWYQISA-N 0 0 451.574 4.692 20 0 JJADRN CC(C)(C(=O)Nc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040834121 563148857 /nfs/dbraw/zinc/14/88/57/563148857.db2.gz WNBYYNNSUGNUKC-UHFFFAOYSA-N 0 0 451.169 4.947 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCC5(C[C@H]5CCO)CC4)c23)C1 ZINC001164390643 718811430 /nfs/dbraw/zinc/81/14/30/718811430.db2.gz BAQOJHOVPKKHAH-RBUKOAKNSA-N 0 0 454.684 4.791 20 0 JJADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCC4(CC(=O)CO4)CC3)n2)CC1 ZINC001164388646 718827847 /nfs/dbraw/zinc/82/78/47/718827847.db2.gz DBXKHAHRLRANTJ-UHFFFAOYSA-N 0 0 482.675 4.980 20 0 JJADRN O=C1c2ccccc2[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164409709 718848390 /nfs/dbraw/zinc/84/83/90/718848390.db2.gz WQYMIWXHLKNDQJ-RTWAWAEBSA-N 0 0 458.631 4.972 20 0 JJADRN O=C1Nc2ccccc2[C@@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@@H]12 ZINC001164401220 718857364 /nfs/dbraw/zinc/85/73/64/718857364.db2.gz DDXMDPALRVQIJC-ATLLOTDBSA-N 0 0 498.389 4.589 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)Nc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407205 718859533 /nfs/dbraw/zinc/85/95/33/718859533.db2.gz XPFCUGGTDLVHQE-IAGOWNOFSA-N 0 0 456.880 4.523 20 0 JJADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001164410103 718866845 /nfs/dbraw/zinc/86/68/45/718866845.db2.gz WSYMFBBBUYXWIA-UHFFFAOYSA-N 0 0 464.875 4.870 20 0 JJADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164407760 718867357 /nfs/dbraw/zinc/86/73/57/718867357.db2.gz JQHOCMSINYKSSP-UHFFFAOYSA-N 0 0 452.914 4.792 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001164416595 718890357 /nfs/dbraw/zinc/89/03/57/718890357.db2.gz DMDYFELZHUGZCK-CQSZACIVSA-N 0 0 489.773 4.990 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164421812 718890924 /nfs/dbraw/zinc/89/09/24/718890924.db2.gz YJKUUEWCNMKHMW-OAHLLOKOSA-N 0 0 494.727 4.816 20 0 JJADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2CCCO[C@H]2C1 ZINC001164421722 718899380 /nfs/dbraw/zinc/89/93/80/718899380.db2.gz RXNRGAWAWNEQKI-YOEHRIQHSA-N 0 0 472.319 4.691 20 0 JJADRN FC1(F)CO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164426252 718928286 /nfs/dbraw/zinc/92/82/86/718928286.db2.gz YTLCFBWCLGXYMB-OALUTQOASA-N 0 0 456.562 4.815 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164430999 718952611 /nfs/dbraw/zinc/95/26/11/718952611.db2.gz YOQCWDNKKVLOKV-QGZVFWFLSA-N 0 0 484.374 4.935 20 0 JJADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164430787 718953976 /nfs/dbraw/zinc/95/39/76/718953976.db2.gz YLMMGIWXPAAGLG-IBGZPJMESA-N 0 0 463.956 4.590 20 0 JJADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164430007 718954493 /nfs/dbraw/zinc/95/44/93/718954493.db2.gz RWGUEEODOSHGDE-LJQANCHMSA-N 0 0 490.982 4.554 20 0 JJADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164432044 718980592 /nfs/dbraw/zinc/98/05/92/718980592.db2.gz FDTZOTRRRWBEPL-GHTZIAJQSA-N 0 0 454.876 4.635 20 0 JJADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164433422 718982078 /nfs/dbraw/zinc/98/20/78/718982078.db2.gz KZEKKAPQBAHZKC-UGKGYDQZSA-N 0 0 450.913 4.804 20 0 JJADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)C2 ZINC001164431813 718982335 /nfs/dbraw/zinc/98/23/35/718982335.db2.gz BVCDMQARWSGNCE-KNQAVFIVSA-N 0 0 466.912 4.504 20 0 JJADRN CCOC(=O)[C@]12C[C@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001164619618 719041583 /nfs/dbraw/zinc/04/15/83/719041583.db2.gz CYRCVEBGXKEOCW-BCHFMIIMSA-N 0 0 462.619 4.876 20 0 JJADRN CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164627406 719042011 /nfs/dbraw/zinc/04/20/11/719042011.db2.gz UMHFGUJLWLYZMG-UPCLLVRISA-N 0 0 468.648 4.938 20 0 JJADRN COc1ccc(C(F)(F)N2CCC3(CC[C@H](OCC(=O)N(C)C)c4ccccc43)CC2)c(Cl)n1 ZINC001164629489 719139473 /nfs/dbraw/zinc/13/94/73/719139473.db2.gz BOGUXMIRFDNPQY-FQEVSTJZSA-N 0 0 493.982 4.766 20 0 JJADRN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)c2ccccc21 ZINC001164631750 719139575 /nfs/dbraw/zinc/13/95/75/719139575.db2.gz OIWRQIJBOJZIBE-SFHVURJKSA-N 0 0 499.389 4.806 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)n1 ZINC001164637025 719260113 /nfs/dbraw/zinc/26/01/13/719260113.db2.gz KYOAGZDPTKYNPW-BPLDGKMQSA-N 0 0 455.962 4.667 20 0 JJADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C[C@@H]3O2)n1 ZINC001164638331 719262026 /nfs/dbraw/zinc/26/20/26/719262026.db2.gz ONDDZXOXOBESLF-GKCIPKSASA-N 0 0 475.927 4.978 20 0 JJADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645514 719288417 /nfs/dbraw/zinc/28/84/17/719288417.db2.gz JPYKFPPQDZIIKZ-XKQJLSEDSA-N 0 0 496.967 4.542 20 0 JJADRN Clc1nc2c(c(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164645154 719288473 /nfs/dbraw/zinc/28/84/73/719288473.db2.gz CWJXDSCZBJPWKO-HSQYWUDLSA-N 0 0 480.037 4.946 20 0 JJADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649478 719290887 /nfs/dbraw/zinc/29/08/87/719290887.db2.gz WWVNSQLTUUPMDE-RCBQFDQVSA-N 0 0 470.929 4.672 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645549 719292388 /nfs/dbraw/zinc/29/23/88/719292388.db2.gz KGAVXBSAWUZFMJ-QYZOEREBSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646054 719293580 /nfs/dbraw/zinc/29/35/80/719293580.db2.gz MVZCOYGSAWBVHV-FHWLQOOXSA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164646059 719293664 /nfs/dbraw/zinc/29/36/64/719293664.db2.gz MVZCOYGSAWBVHV-QRVBRYPASA-N 0 0 481.330 4.830 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647956 719294470 /nfs/dbraw/zinc/29/44/70/719294470.db2.gz FNCSJTUHICAACD-BDTNDASRSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164646824 719295096 /nfs/dbraw/zinc/29/50/96/719295096.db2.gz BXTZZUKSIFOFTQ-GIWBLDEGSA-N 0 0 472.923 4.690 20 0 JJADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164651216 719295554 /nfs/dbraw/zinc/29/55/54/719295554.db2.gz LEFRCAABQOTAAC-INMHGKMJSA-N 0 0 463.834 4.647 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)c(Cl)nn2)c1 ZINC001164648824 719295820 /nfs/dbraw/zinc/29/58/20/719295820.db2.gz GDSANWQKVRIBIJ-FKBYEOEOSA-N 0 0 490.913 4.829 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164655403 719296161 /nfs/dbraw/zinc/29/61/61/719296161.db2.gz UDBCPQTUJILTNC-XPNTWCBSSA-N 0 0 463.956 4.897 20 0 JJADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5cccc(C)c5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164655734 719301794 /nfs/dbraw/zinc/30/17/94/719301794.db2.gz VINQNIAFHQBSCT-MNEFBYGVSA-N 0 0 461.900 4.698 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164650489 719305274 /nfs/dbraw/zinc/30/52/74/719305274.db2.gz IHNCITOWDVEVHH-AQKFKSFVSA-N 0 0 479.930 4.692 20 0 JJADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)C[C@H]2CCCO[C@H]21 ZINC001164653725 719305320 /nfs/dbraw/zinc/30/53/20/719305320.db2.gz PZGUMWPJIRSMGU-BSLALVQMSA-N 0 0 479.930 4.692 20 0 JJADRN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164646444 719308385 /nfs/dbraw/zinc/30/83/85/719308385.db2.gz DXYDQLHQWCPNOM-UHFFFAOYSA-N 0 0 486.620 4.619 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)CC2 ZINC001164646642 719308902 /nfs/dbraw/zinc/30/89/02/719308902.db2.gz GCBBMHBKUQLCHS-UHFFFAOYSA-N 0 0 462.548 4.977 20 0 JJADRN Cc1sc2nc(-c3cccnc3)nc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c2c1C ZINC001164652918 719315044 /nfs/dbraw/zinc/31/50/44/719315044.db2.gz UGEMUXSVWWRENF-UHFFFAOYSA-N 0 0 461.639 4.772 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164653594 719315633 /nfs/dbraw/zinc/31/56/33/719315633.db2.gz XENOUGRNZOMSPN-UHFFFAOYSA-N 0 0 460.960 4.744 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164650880 719316427 /nfs/dbraw/zinc/31/64/27/719316427.db2.gz FYSDFVQKAHBEEK-UHFFFAOYSA-N 0 0 489.693 4.822 20 0 JJADRN CCc1cccc(Oc2nc(Cl)ncc2N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1 ZINC001164653325 719317514 /nfs/dbraw/zinc/31/75/14/719317514.db2.gz LWMMXSXZNBBMRP-UHFFFAOYSA-N 0 0 455.006 4.886 20 0 JJADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164651366 719318098 /nfs/dbraw/zinc/31/80/98/719318098.db2.gz GZAMZGKGJNTNLW-UHFFFAOYSA-N 0 0 478.950 4.883 20 0 JJADRN O=S1(=O)c2ccccc2[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3)C2)N1Cc1ccccc1 ZINC001164652682 719322874 /nfs/dbraw/zinc/32/28/74/719322874.db2.gz KSMVNNGVDWTOJF-QFIPXVFZSA-N 0 0 475.948 4.590 20 0 JJADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656025 719323404 /nfs/dbraw/zinc/32/34/04/719323404.db2.gz UDNVFYFLCXGSGL-UHFFFAOYSA-N 0 0 486.954 4.696 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164655358 719323473 /nfs/dbraw/zinc/32/34/73/719323473.db2.gz QEDNVRHBBYCQGY-UHFFFAOYSA-N 0 0 484.938 4.904 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H](NC(=O)CC4CC4)[C@@H]4OCCC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164655951 719326817 /nfs/dbraw/zinc/32/68/17/719326817.db2.gz SAWITZPJCBWJAA-QTGUNEKASA-N 0 0 490.982 4.550 20 0 JJADRN Clc1nc2c(c(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)n1)CN(Cc1ccccc1)CC2 ZINC001164663598 719342391 /nfs/dbraw/zinc/34/23/91/719342391.db2.gz YQTZZNBXBVUDCO-SDHSZQHLSA-N 0 0 483.056 4.631 20 0 JJADRN Clc1nc2c(c(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)n1)CN(Cc1ccccc1)C2 ZINC001164662629 719342811 /nfs/dbraw/zinc/34/28/11/719342811.db2.gz QOMJVBLGUMFQGF-VXNXHJTFSA-N 0 0 469.029 4.589 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)nc(Cl)c2c1 ZINC001164660660 719342975 /nfs/dbraw/zinc/34/29/75/719342975.db2.gz JMHVREZMAHEZCE-QRVBRYPASA-N 0 0 455.908 4.910 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)c2c1C ZINC001164662044 719343773 /nfs/dbraw/zinc/34/37/73/719343773.db2.gz MTGDCSZCXOBHMW-IMSXRSKXSA-N 0 0 470.683 4.847 20 0 JJADRN CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164663795 719348380 /nfs/dbraw/zinc/34/83/80/719348380.db2.gz LVEXNHHEBOXRRI-UHFFFAOYSA-N 0 0 494.039 4.915 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164663128 719350155 /nfs/dbraw/zinc/35/01/55/719350155.db2.gz FCSXTBSEJGMJSR-QHCPKHFHSA-N 0 0 455.965 4.557 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164659530 719351284 /nfs/dbraw/zinc/35/12/84/719351284.db2.gz QQNRHJAGLULTPF-UHFFFAOYSA-N 0 0 463.589 4.806 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164660720 719353486 /nfs/dbraw/zinc/35/34/86/719353486.db2.gz XUCNRCXBIZTZRO-VWLOTQADSA-N 0 0 499.659 4.833 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164659001 719353642 /nfs/dbraw/zinc/35/36/42/719353642.db2.gz PKYBFMFQSOLBPY-UHFFFAOYSA-N 0 0 465.605 4.542 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164660709 719353775 /nfs/dbraw/zinc/35/37/75/719353775.db2.gz XRQSULNVTZVKIQ-UHFFFAOYSA-N 0 0 468.580 4.977 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164660563 719353833 /nfs/dbraw/zinc/35/38/33/719353833.db2.gz VGZFBGLJMYSGAJ-UHFFFAOYSA-N 0 0 480.616 4.847 20 0 JJADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(F)(F)c1cc(C)nnc1Cl)CC2 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Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825196 720387537 /nfs/dbraw/zinc/38/75/37/720387537.db2.gz UNJYNRYKIRTFDF-RBSFLKMASA-N 0 0 472.970 4.608 20 0 JJADRN Cc1nc(CO[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822962 720391874 /nfs/dbraw/zinc/39/18/74/720391874.db2.gz NZRALPUNKZSBCH-PRTQVNTJSA-N 0 0 490.988 4.642 20 0 JJADRN Cc1nc(CO[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820919 720393109 /nfs/dbraw/zinc/39/31/09/720393109.db2.gz DDULJMZRDLYVCF-YQVWRLOYSA-N 0 0 455.958 4.573 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164820432 720393354 /nfs/dbraw/zinc/39/33/54/720393354.db2.gz BKWXLUICHXBNOO-HXUWFJFHSA-N 0 0 486.897 4.594 20 0 JJADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730299 720393983 /nfs/dbraw/zinc/39/39/83/720393983.db2.gz WNEQGBJBSCLGNL-ZWKOTPCHSA-N 0 0 450.320 4.730 20 0 JJADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)c1 ZINC001164822380 720395283 /nfs/dbraw/zinc/39/52/83/720395283.db2.gz LWJHWUPJLAVHMG-FQEVSTJZSA-N 0 0 471.882 4.809 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821070 720395793 /nfs/dbraw/zinc/39/57/93/720395793.db2.gz DMSQEUSPMCZRRR-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)c1 ZINC001164823745 720396266 /nfs/dbraw/zinc/39/62/66/720396266.db2.gz QDMDHYGZHPLAPX-HXUWFJFHSA-N 0 0 471.882 4.809 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)O2)n1 ZINC001164827665 720402577 /nfs/dbraw/zinc/40/25/77/720402577.db2.gz GWDASERBGRWUSB-ZNMIVQPWSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)O2)n1 ZINC001164826947 720405810 /nfs/dbraw/zinc/40/58/10/720405810.db2.gz FKJXAGYMJKESGK-KKUMJFAQSA-N 0 0 456.280 4.672 20 0 JJADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(CN4CCC(C)CC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164826132 720408767 /nfs/dbraw/zinc/40/87/67/720408767.db2.gz BTXKVKBHYGWPOO-AABGKKOBSA-N 0 0 494.665 4.602 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](c5nc(C)no5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164828821 720411714 /nfs/dbraw/zinc/41/17/14/720411714.db2.gz LKSDECOMDSGULJ-CEXWTWQISA-N 0 0 477.899 4.541 20 0 JJADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]21 ZINC001164826403 720417762 /nfs/dbraw/zinc/41/77/62/720417762.db2.gz QFCLQTNRIHMVJK-SVFBPWRDSA-N 0 0 463.956 4.560 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164730560 720485291 /nfs/dbraw/zinc/48/52/91/720485291.db2.gz UDNVYGKVWVEBGU-VXKWHMMOSA-N 0 0 455.940 4.899 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164726392 720485782 /nfs/dbraw/zinc/48/57/82/720485782.db2.gz LUUGHQBYEQDOPV-FGZHOGPDSA-N 0 0 455.940 4.899 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)c1 ZINC001164725301 720495073 /nfs/dbraw/zinc/49/50/73/720495073.db2.gz JIKOCYZBURKCTO-YCRPNKLZSA-N 0 0 487.975 4.865 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC[C@@H]21)N1CCCCC1 ZINC001164830283 720497901 /nfs/dbraw/zinc/49/79/01/720497901.db2.gz AAWFDXNAVLQBFP-ALKREAHSSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164727463 720498911 /nfs/dbraw/zinc/49/89/11/720498911.db2.gz NAXMVKWQLMLXHL-DYESRHJHSA-N 0 0 494.329 4.501 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@H]21)N1CCCCC1 ZINC001164832508 720499006 /nfs/dbraw/zinc/49/90/06/720499006.db2.gz JJDFPZPGCNEEPH-OGWOLHLISA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164722556 720499050 /nfs/dbraw/zinc/49/90/50/720499050.db2.gz BBUNOFXGGAQYPZ-QPPBQGQZSA-N 0 0 484.934 4.966 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC[C@@H]21)N1CCCCC1 ZINC001164832504 720499343 /nfs/dbraw/zinc/49/93/43/720499343.db2.gz JJDFPZPGCNEEPH-ALKREAHSSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164722559 720499314 /nfs/dbraw/zinc/49/93/14/720499314.db2.gz BBUNOFXGGAQYPZ-XUZZJYLKSA-N 0 0 484.934 4.966 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC[C@H]21)N1CCCCC1 ZINC001164830389 720500473 /nfs/dbraw/zinc/50/04/73/720500473.db2.gz BCPCUSOXDWGAME-DAYGRLMNSA-N 0 0 499.389 4.725 20 0 JJADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]21)N1CCCCC1 ZINC001164835443 720501139 /nfs/dbraw/zinc/50/11/39/720501139.db2.gz YBBFGRGVZHWALN-LZJOCLMNSA-N 0 0 463.956 4.677 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164833969 720502505 /nfs/dbraw/zinc/50/25/05/720502505.db2.gz DZBBYYGMDRVNIO-FCEWJHQRSA-N 0 0 497.011 4.647 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC[C@H]21)N1CCCCC1 ZINC001164833288 720502531 /nfs/dbraw/zinc/50/25/31/720502531.db2.gz CSQVHVXYRCWGLN-DWLFOUALSA-N 0 0 490.982 4.586 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164836560 720502737 /nfs/dbraw/zinc/50/27/37/720502737.db2.gz NEUGBFVJBXPGDP-IPJJNNNSSA-N 0 0 490.982 4.586 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735303 720541591 /nfs/dbraw/zinc/54/15/91/720541591.db2.gz OIXCAJIJUPOPFV-OPAMFIHVSA-N 0 0 460.912 4.678 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734704 720541864 /nfs/dbraw/zinc/54/18/64/720541864.db2.gz KQNZYDVPLACHGI-KSFYIVLOSA-N 0 0 476.911 4.784 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(c2nc(Cl)ccc2CN2CCCC2)Cc2ccccc23)nc1 ZINC001164836210 720735096 /nfs/dbraw/zinc/73/50/96/720735096.db2.gz CHXUIUPGNMKMSU-UHFFFAOYSA-N 0 0 493.030 4.818 20 0 JJADRN Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2nc(Cl)ncc2Cl)Cc2ccccc23)nc1 ZINC001164837960 720735139 /nfs/dbraw/zinc/73/51/39/720735139.db2.gz PEBOIKUOYJTQAQ-UHFFFAOYSA-N 0 0 495.336 4.816 20 0 JJADRN CC[C@H]1N(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846856 720755809 /nfs/dbraw/zinc/75/58/09/720755809.db2.gz KHBJKRMVUPVDSE-IBVKSMDESA-N 0 0 467.683 4.584 20 0 JJADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847849 720770963 /nfs/dbraw/zinc/77/09/63/720770963.db2.gz NRNKEFIIPVZQHY-YYWHXJBOSA-N 0 0 460.912 4.566 20 0 JJADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164848779 720771444 /nfs/dbraw/zinc/77/14/44/720771444.db2.gz QOQXOHLZWNFVCR-WMQCIHAUSA-N 0 0 460.912 4.566 20 0 JJADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)nc(Cl)c2c1 ZINC001164847140 720773379 /nfs/dbraw/zinc/77/33/79/720773379.db2.gz LGLJHQJUJROOEV-UXPWSPDFSA-N 0 0 478.902 4.705 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001164846427 720776818 /nfs/dbraw/zinc/77/68/18/720776818.db2.gz ITDKFAUAXBVDNT-LZQZEXGQSA-N 0 0 455.958 4.740 20 0 JJADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850009 720780153 /nfs/dbraw/zinc/78/01/53/720780153.db2.gz VNVZKMLEZDGHJL-PMPSAXMXSA-N 0 0 460.308 4.551 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164845960 720780438 /nfs/dbraw/zinc/78/04/38/720780438.db2.gz GUHUISIHYFBCTN-UAGQMJEPSA-N 0 0 460.308 4.551 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(CCN(Cc5cccc(C)c5)C4=O)C3)c2c1C ZINC001164848525 720807815 /nfs/dbraw/zinc/80/78/15/720807815.db2.gz CVPCFLSXMCOYCK-NDEPHWFRSA-N 0 0 489.689 4.841 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C3)C2=O)c1 ZINC001164850008 720808161 /nfs/dbraw/zinc/80/81/61/720808161.db2.gz HTZDJCZOYKYVRQ-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C3)C2=O)c1 ZINC001164851961 720808489 /nfs/dbraw/zinc/80/84/89/720808489.db2.gz LXRWFWATFDNGMS-QHCPKHFHSA-N 0 0 472.923 4.872 20 0 JJADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)ncnc54)C3)C2=O)c1 ZINC001164850657 720808718 /nfs/dbraw/zinc/80/87/18/720808718.db2.gz JTVHPCFJWJAQBS-HSZRJFAPSA-N 0 0 456.924 4.766 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164848056 720813690 /nfs/dbraw/zinc/81/36/90/720813690.db2.gz BULNFBSAOXKDJU-UTKZUKDTSA-N 0 0 472.898 4.576 20 0 JJADRN Cc1nc([C@H]2COCCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)cs1 ZINC001164746851 720864778 /nfs/dbraw/zinc/86/47/78/720864778.db2.gz GTAGGLBWYWZFJK-GOSISDBHSA-N 0 0 455.653 4.509 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1)c1ccccc1 ZINC001164858747 720898364 /nfs/dbraw/zinc/89/83/64/720898364.db2.gz OOXNEYXNWJZTCQ-WAIKUNEKSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1)c1ccccc1 ZINC001164859395 720898995 /nfs/dbraw/zinc/89/89/95/720898995.db2.gz PTWZRKZEDSOANC-RDPSFJRHSA-N 0 0 471.935 4.991 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1)c1ccccc1 ZINC001164860709 720899023 /nfs/dbraw/zinc/89/90/23/720899023.db2.gz UPRPGTRZRHPLFI-SBUREZEXSA-N 0 0 490.913 4.525 20 0 JJADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1)c1ccccc1 ZINC001164860633 720899635 /nfs/dbraw/zinc/89/96/35/720899635.db2.gz UONZOBFJKQHFAT-YADARESESA-N 0 0 471.935 4.991 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164854003 720900641 /nfs/dbraw/zinc/90/06/41/720900641.db2.gz DSCZMTDEAGJUDT-KKSFZXQISA-N 0 0 467.969 4.560 20 0 JJADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1)c1ccccc1 ZINC001164858504 720900981 /nfs/dbraw/zinc/90/09/81/720900981.db2.gz NRGWKFVLTFBOLZ-CJFMBICVSA-N 0 0 498.961 4.900 20 0 JJADRN O=C(N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1)c1ccccc1 ZINC001164857442 720901946 /nfs/dbraw/zinc/90/19/46/720901946.db2.gz LEIQOSCKMPOFBT-YWZLYKJASA-N 0 0 489.872 4.857 20 0 JJADRN CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C[C@H]21 ZINC001164758238 721002096 /nfs/dbraw/zinc/00/20/96/721002096.db2.gz UIMCRUJVLQEKQE-BEVDRBHNSA-N 0 0 499.389 4.713 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cnc2Cl)cc1 ZINC001164758687 721009208 /nfs/dbraw/zinc/00/92/08/721009208.db2.gz JFVSZAMPEUKRJJ-FKBYEOEOSA-N 0 0 475.898 4.901 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)cnc1Cl ZINC001164759699 721009265 /nfs/dbraw/zinc/00/92/65/721009265.db2.gz NFBYGZAWRONLAR-BVSLBCMMSA-N 0 0 475.898 4.901 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)cnc2Cl)c1 ZINC001164759404 721009270 /nfs/dbraw/zinc/00/92/70/721009270.db2.gz MGISWPGMFDWAPD-FKBYEOEOSA-N 0 0 475.898 4.901 20 0 JJADRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]2C1=O ZINC001164860939 721029991 /nfs/dbraw/zinc/02/99/91/721029991.db2.gz LWYDGCGZYPLMND-KAGYGMCKSA-N 0 0 477.983 4.781 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC001164770843 721030692 /nfs/dbraw/zinc/03/06/92/721030692.db2.gz ZGPXWOYEKMBNKN-UZLBHIALSA-N 0 0 455.958 4.742 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164767590 721030988 /nfs/dbraw/zinc/03/09/88/721030988.db2.gz SALSSULXVKXNHX-CUNXSJBXSA-N 0 0 495.693 4.890 20 0 JJADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164767795 721031393 /nfs/dbraw/zinc/03/13/93/721031393.db2.gz TUYMPTYPQBLVQV-JTSKRJEESA-N 0 0 460.912 4.568 20 0 JJADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164766506 721032581 /nfs/dbraw/zinc/03/25/81/721032581.db2.gz QVYDDMXRSFRKRJ-APWZRJJASA-N 0 0 460.308 4.553 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1Cl)[C@@H]2COCc1ccccc1 ZINC001164759891 721047116 /nfs/dbraw/zinc/04/71/16/721047116.db2.gz RMDUIMIFKZUVSS-QGZVFWFLSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@@H]2COCc1ccccc1 ZINC001164760645 721047129 /nfs/dbraw/zinc/04/71/29/721047129.db2.gz ZHISRWFDUIGRRG-HXUWFJFHSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@@H]2COCc1ccccc1 ZINC001164773544 721047884 /nfs/dbraw/zinc/04/78/84/721047884.db2.gz SEEJDBPCNJUADA-OAQYLSRUSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@H]2COCc1ccccc1 ZINC001164758876 721048207 /nfs/dbraw/zinc/04/82/07/721048207.db2.gz CRBSTDHGQWEDHM-KRWDZBQOSA-N 0 0 468.335 4.865 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@H]2COCc1ccccc1 ZINC001164774816 721048774 /nfs/dbraw/zinc/04/87/74/721048774.db2.gz YPMXZYYHJBFCIF-FQEVSTJZSA-N 0 0 484.938 4.760 20 0 JJADRN CCn1nnc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)[C@H]2COCc1ccccc1 ZINC001164766865 721049295 /nfs/dbraw/zinc/04/92/95/721049295.db2.gz GDLPDBCIOGMHSB-SFHVURJKSA-N 0 0 472.927 4.693 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)n1 ZINC001164769618 721052147 /nfs/dbraw/zinc/05/21/47/721052147.db2.gz JQQFAYGCHQUOSR-ROUUACIJSA-N 0 0 478.330 4.565 20 0 JJADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)n1 ZINC001164770497 721057314 /nfs/dbraw/zinc/05/73/14/721057314.db2.gz KUUGBPOYHPKYTH-SFTDATJTSA-N 0 0 487.913 4.564 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164772512 721061956 /nfs/dbraw/zinc/06/19/56/721061956.db2.gz PHSOSETZVTZDKQ-UWJYYQICSA-N 0 0 470.969 4.617 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164772509 721062166 /nfs/dbraw/zinc/06/21/66/721062166.db2.gz PHSOSETZVTZDKQ-UTKZUKDTSA-N 0 0 470.969 4.617 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164772507 721062184 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/nfs/dbraw/zinc/25/13/02/721251302.db2.gz HNBNIQIXJQJKAT-ZTNFWEORSA-N 0 0 462.884 4.535 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@H]43)c2c1C ZINC001164875004 721251327 /nfs/dbraw/zinc/25/13/27/721251327.db2.gz LGVOSHWUWJVIMY-BDTNDASRSA-N 0 0 479.650 4.504 20 0 JJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164879269 721251972 /nfs/dbraw/zinc/25/19/72/721251972.db2.gz XPPAGLFUBILNMQ-OHCHIEETSA-N 0 0 470.932 4.525 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164871902 721251985 /nfs/dbraw/zinc/25/19/85/721251985.db2.gz BUEAHCVTHUBAND-FCEUIQTBSA-N 0 0 472.923 4.942 20 0 JJADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)O1)c1ccccc1 ZINC001164877118 721254098 /nfs/dbraw/zinc/25/40/98/721254098.db2.gz QCYZRJVZYDTZAX-UTKZUKDTSA-N 0 0 470.347 4.881 20 0 JJADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)O1)c1ccccc1 ZINC001164877825 721254427 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FJYZBQKVQKFNNV-GOSISDBHSA-N 0 0 496.949 4.957 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770724 721276568 /nfs/dbraw/zinc/27/65/68/721276568.db2.gz XVLXQUMHYQZOJG-QGZVFWFLSA-N 0 0 482.922 4.649 20 0 JJADRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1 ZINC001164874973 721296848 /nfs/dbraw/zinc/29/68/48/721296848.db2.gz FULVCXIVRLDZHN-UZLBHIALSA-N 0 0 477.964 4.862 20 0 JJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CCC(=O)N3CC3CC3)CC2)n1 ZINC001164775744 721307431 /nfs/dbraw/zinc/30/74/31/721307431.db2.gz JAVXACDVMXARRS-UHFFFAOYSA-N 0 0 475.662 4.791 20 0 JJADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164876944 721312926 /nfs/dbraw/zinc/31/29/26/721312926.db2.gz HMMOFDDYQPADQL-DOPJRALCSA-N 0 0 481.330 4.939 20 0 JJADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164879028 721313434 /nfs/dbraw/zinc/31/34/34/721313434.db2.gz MKXIHNDZKTTWNN-NZSAHSFTSA-N 0 0 472.923 4.800 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881967 721314658 /nfs/dbraw/zinc/31/46/58/721314658.db2.gz YTDZSVSFPCJPKL-ORYQWCPZSA-N 0 0 472.923 4.800 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c(Cl)nn2)cc1 ZINC001164877212 721316164 /nfs/dbraw/zinc/31/61/64/721316164.db2.gz JYUUEMGJXTUUET-GQWLDOHISA-N 0 0 490.913 4.939 20 0 JJADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CC3)cc1 ZINC001164776965 721316244 /nfs/dbraw/zinc/31/62/44/721316244.db2.gz HUZOGSVYLLCUCC-UHFFFAOYSA-N 0 0 476.915 4.572 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164877840 721316626 /nfs/dbraw/zinc/31/66/26/721316626.db2.gz LJPBDUNXAXUFFS-KRWDZBQOSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164875504 721317935 /nfs/dbraw/zinc/31/79/35/721317935.db2.gz FVJSOARKQWJODG-KRWDZBQOSA-N 0 0 477.342 4.982 20 0 JJADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164879903 721318610 /nfs/dbraw/zinc/31/86/10/721318610.db2.gz UIESSELFQMZGQM-HXUWFJFHSA-N 0 0 468.935 4.842 20 0 JJADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164873724 721318939 /nfs/dbraw/zinc/31/89/39/721318939.db2.gz AUEUXQGDAURJNI-HNNXBMFYSA-N 0 0 459.846 4.799 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c(Cl)nn1 ZINC001164879360 721319899 /nfs/dbraw/zinc/31/98/99/721319899.db2.gz RXULMHKJHWYRIW-HXUWFJFHSA-N 0 0 498.961 4.851 20 0 JJADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164776066 721327183 /nfs/dbraw/zinc/32/71/83/721327183.db2.gz CKDXNLVZELRFOL-AWEZNQCLSA-N 0 0 452.864 4.502 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2)N1CC=CC1 ZINC001164775945 721328414 /nfs/dbraw/zinc/32/84/14/721328414.db2.gz AWYKDPTVSWAXOI-UHFFFAOYSA-N 0 0 485.676 4.600 20 0 JJADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2)N1CC=CC1 ZINC001164778880 721328737 /nfs/dbraw/zinc/32/87/37/721328737.db2.gz ZTELZDMNKQTZCN-UHFFFAOYSA-N 0 0 463.960 4.722 20 0 JJADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001164776060 721328835 /nfs/dbraw/zinc/32/88/35/721328835.db2.gz CFMRMZXIMLAUTG-UHFFFAOYSA-N 0 0 481.971 4.632 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164875343 721329159 /nfs/dbraw/zinc/32/91/59/721329159.db2.gz KKFFBFMXIHGQGB-UHFFFAOYSA-N 0 0 489.979 4.931 20 0 JJADRN O=C(c1cscn1)N1CCC2(C1)CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164876357 721329184 /nfs/dbraw/zinc/32/91/84/721329184.db2.gz PGZGEVAJAIDENT-QFIPXVFZSA-N 0 0 487.988 4.514 20 0 JJADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C2)cs1 ZINC001164875549 721330338 /nfs/dbraw/zinc/33/03/38/721330338.db2.gz MIDHZSOJUIYUJP-OAHLLOKOSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)cs1 ZINC001164874805 721332621 /nfs/dbraw/zinc/33/26/21/721332621.db2.gz JHYCQKPZXLBEFO-HNNXBMFYSA-N 0 0 490.967 4.643 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778396 721335657 /nfs/dbraw/zinc/33/56/57/721335657.db2.gz VCAPGMRHSQCKDG-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C2)C1 ZINC001164778397 721336152 /nfs/dbraw/zinc/33/61/52/721336152.db2.gz VCAPGMRHSQCKDG-QHCPKHFHSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164778644 721336191 /nfs/dbraw/zinc/33/61/91/721336191.db2.gz XWKJXISQNNZLSF-HXUWFJFHSA-N 0 0 475.367 4.657 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164776840 721341964 /nfs/dbraw/zinc/34/19/64/721341964.db2.gz DEWTVPUEGWGMIQ-FQEVSTJZSA-N 0 0 459.805 4.766 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164885839 721344984 /nfs/dbraw/zinc/34/49/84/721344984.db2.gz QMTPWXNADODGTF-NZQKXSOJSA-N 0 0 479.930 4.598 20 0 JJADRN O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164881727 721346866 /nfs/dbraw/zinc/34/68/66/721346866.db2.gz AEVUBMZEDCGIAX-GHTZIAJQSA-N 0 0 467.969 4.520 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164886949 721353272 /nfs/dbraw/zinc/35/32/72/721353272.db2.gz UIXQITZZLYEUHG-REWPJTCUSA-N 0 0 498.961 4.628 20 0 JJADRN O=C1C[C@H]2[C@@H](CCN2c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)N1c1ccsc1 ZINC001164882423 721357554 /nfs/dbraw/zinc/35/75/54/721357554.db2.gz JEESLMGTYZBFMX-MOPGFXCFSA-N 0 0 479.675 4.612 20 0 JJADRN COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c(Cl)nn2)c1 ZINC001164883985 721360255 /nfs/dbraw/zinc/36/02/55/721360255.db2.gz SIIYCYHTTMYAHH-RBUKOAKNSA-N 0 0 476.936 4.796 20 0 JJADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC001164882792 721361345 /nfs/dbraw/zinc/36/13/45/721361345.db2.gz LAVWKNYXSXFLGX-UHFFFAOYSA-N 0 0 498.965 4.696 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(-c4cccc(Cl)c4)nn3)C2)C1 ZINC001164780025 721366785 /nfs/dbraw/zinc/36/67/85/721366785.db2.gz CKIIRCKUANAEMK-RUZDIDTESA-N 0 0 468.001 4.521 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)C2)C1 ZINC001164780004 721367447 /nfs/dbraw/zinc/36/74/47/721367447.db2.gz BWECLERJGQNHOC-HSZRJFAPSA-N 0 0 491.970 4.552 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(-c4cccc(Cl)c4)ncn3)C2)C1 ZINC001164787075 721367753 /nfs/dbraw/zinc/36/77/53/721367753.db2.gz YKPCPAOXBPXPBL-RUZDIDTESA-N 0 0 468.001 4.521 20 0 JJADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164780404 721374576 /nfs/dbraw/zinc/37/45/76/721374576.db2.gz GXYCXIQTQFJAQR-AREMUKBSSA-N 0 0 498.027 4.955 20 0 JJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780177 721382835 /nfs/dbraw/zinc/38/28/35/721382835.db2.gz FGTGCCBKVPYWQM-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780409 721383262 /nfs/dbraw/zinc/38/32/62/721383262.db2.gz HDMGDCILBQORJP-JXFKEZNVSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164787937 721383916 /nfs/dbraw/zinc/38/39/16/721383916.db2.gz YKUZWEDAZHFYFR-HRAATJIYSA-N 0 0 480.968 4.877 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164781434 721384315 /nfs/dbraw/zinc/38/43/15/721384315.db2.gz JRAMZSOQJVRJJN-VGOFRKELSA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786176 721384411 /nfs/dbraw/zinc/38/44/11/721384411.db2.gz UDSFDJMHDYHTSB-OXQOHEQNSA-N 0 0 458.336 4.921 20 0 JJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164781431 721384546 /nfs/dbraw/zinc/38/45/46/721384546.db2.gz JRAMZSOQJVRJJN-JTSKRJEESA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786193 721384815 /nfs/dbraw/zinc/38/48/15/721384815.db2.gz UHKULJRUCPXPFK-NZQKXSOJSA-N 0 0 474.939 4.815 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001164783843 721385386 /nfs/dbraw/zinc/38/53/86/721385386.db2.gz PSXMYVBDWOFPDR-LAUBAEHRSA-N 0 0 469.985 4.989 20 0 JJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779708 721385424 /nfs/dbraw/zinc/38/54/24/721385424.db2.gz CFUZNZNOHLQOBQ-AVRDEDQJSA-N 0 0 462.928 4.749 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782569 721386034 /nfs/dbraw/zinc/38/60/34/721386034.db2.gz MITHUMFQGLNWRA-FDDCHVKYSA-N 0 0 490.938 4.922 20 0 JJADRN c1csc(CN2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784383 721426494 /nfs/dbraw/zinc/42/64/94/721426494.db2.gz LJAHALMZNSDULQ-RTBURBONSA-N 0 0 494.734 4.581 20 0 JJADRN c1csc(-c2nc3sc4c(c3c(N3C[C@H]5CN(Cc6nccs6)C[C@H]5C3)n2)CCC4)c1 ZINC001164789771 721426827 /nfs/dbraw/zinc/42/68/27/721426827.db2.gz XCFKFAKAVZFJCS-GASCZTMLSA-N 0 0 465.673 4.933 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164781958 721438917 /nfs/dbraw/zinc/43/89/17/721438917.db2.gz HSLNOMDISGBXSG-GJZGRUSLSA-N 0 0 465.932 4.506 20 0 JJADRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164785693 721440804 /nfs/dbraw/zinc/44/08/04/721440804.db2.gz SLSZKDPNXBGWHL-QFIPXVFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164788065 721441848 /nfs/dbraw/zinc/44/18/48/721441848.db2.gz YQEYLLQLZWQTMM-JOCHJYFZSA-N 0 0 496.949 4.791 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)nc2Cl)CCO3)cs1 ZINC001164785818 721442765 /nfs/dbraw/zinc/44/27/65/721442765.db2.gz SYHREDUYIVEQIX-FZKQIMNGSA-N 0 0 479.380 4.686 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3csc(C)n3)C2)n1 ZINC001164784098 721443105 /nfs/dbraw/zinc/44/31/05/721443105.db2.gz OYWGNIZEVDSLEE-IFXJQAMLSA-N 0 0 491.029 4.754 20 0 JJADRN COc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3csc(C)n3)C2)cc(Cl)n1 ZINC001164785846 721443253 /nfs/dbraw/zinc/44/32/53/721443253.db2.gz SZNQXEWXKIOJSE-QRWLVFNGSA-N 0 0 473.973 4.646 20 0 JJADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nc(Cl)cc(Cl)n2)CCO3)cs1 ZINC001164785478 721443277 /nfs/dbraw/zinc/44/32/77/721443277.db2.gz RWNVNXVRULAHDF-ACJLOTCBSA-N 0 0 479.380 4.686 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)O1 ZINC001164885456 721459734 /nfs/dbraw/zinc/45/97/34/721459734.db2.gz DVJFNPRPEBFXLK-FSSWDIPSSA-N 0 0 498.961 4.758 20 0 JJADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)O1 ZINC001164885449 721459831 /nfs/dbraw/zinc/45/98/31/721459831.db2.gz DVJFNPRPEBFXLK-BDTNDASRSA-N 0 0 498.961 4.758 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C3)C2=O)cs1 ZINC001164887234 721460707 /nfs/dbraw/zinc/46/07/07/721460707.db2.gz JFCXIZXVGZJHLW-OAQYLSRUSA-N 0 0 495.958 4.751 20 0 JJADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)C2=O)cs1 ZINC001164885430 721460915 /nfs/dbraw/zinc/46/09/15/721460915.db2.gz DQLJAOZFNLNQJL-SFHVURJKSA-N 0 0 461.365 4.717 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc5ccsc5c(Cl)n4)C3)C2=O)cs1 ZINC001164886056 721460963 /nfs/dbraw/zinc/46/09/63/721460963.db2.gz GHBWAVNSVRSRNT-LJQANCHMSA-N 0 0 483.997 4.674 20 0 JJADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C3)C2=O)cs1 ZINC001164884912 721461523 /nfs/dbraw/zinc/46/15/23/721461523.db2.gz CKJLGQDXAVAIFE-HXUWFJFHSA-N 0 0 465.957 4.545 20 0 JJADRN CC(C)C(=O)N1CC[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164889034 721465426 /nfs/dbraw/zinc/46/54/26/721465426.db2.gz HDHQISCMURABGZ-PZJWPPBQSA-N 0 0 481.710 4.639 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164890624 721470772 /nfs/dbraw/zinc/47/07/72/721470772.db2.gz JYLSDBIJTNULHV-INIZCTEOSA-N 0 0 459.928 4.602 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c1 ZINC001164891633 721473480 /nfs/dbraw/zinc/47/34/80/721473480.db2.gz DIEGKNQCJFTJMK-UHFFFAOYSA-N 0 0 451.970 4.803 20 0 JJADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001164892317 721475695 /nfs/dbraw/zinc/47/56/95/721475695.db2.gz FMNSYOGMTUPUIQ-XMMPIXPASA-N 0 0 483.950 4.899 20 0 JJADRN CCOC[C@H]1CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)Cc2cnn(C)c21 ZINC001164791923 721477900 /nfs/dbraw/zinc/47/79/00/721477900.db2.gz KSENJYZVCLRWAD-GOSISDBHSA-N 0 0 462.928 4.733 20 0 JJADRN O=C(C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]21)N1CCC(F)CC1 ZINC001164893913 721479776 /nfs/dbraw/zinc/47/97/76/721479776.db2.gz FYRNYSUCYCKJME-QINHECLXSA-N 0 0 497.945 4.589 20 0 JJADRN O=C(C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]21)N1CCC(F)CC1 ZINC001164893912 721479975 /nfs/dbraw/zinc/47/99/75/721479975.db2.gz FYRNYSUCYCKJME-JXXFODFXSA-N 0 0 497.945 4.589 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164897570 721486661 /nfs/dbraw/zinc/48/66/61/721486661.db2.gz SUHQMWWCCLEDDF-GFCCVEGCSA-N 0 0 498.752 4.865 20 0 JJADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164793934 721487490 /nfs/dbraw/zinc/48/74/90/721487490.db2.gz YJLXAMNCVXSNSA-BMLIUANNSA-N 0 0 468.690 4.653 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164897656 721487952 /nfs/dbraw/zinc/48/79/52/721487952.db2.gz TWNNQINHSZTHII-HNNXBMFYSA-N 0 0 460.941 4.738 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164895935 721489196 /nfs/dbraw/zinc/48/91/96/721489196.db2.gz OITFJUZPMMGFAA-CYBMUJFWSA-N 0 0 485.362 4.526 20 0 JJADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164897639 721489682 /nfs/dbraw/zinc/48/96/82/721489682.db2.gz DONDDUZNCPENQV-CYBMUJFWSA-N 0 0 485.362 4.526 20 0 JJADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164900910 721489687 /nfs/dbraw/zinc/48/96/87/721489687.db2.gz SEZZDMBXHNIGLH-IBGZPJMESA-N 0 0 491.966 4.871 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccc(C)cc21 ZINC001164897182 721491563 /nfs/dbraw/zinc/49/15/63/721491563.db2.gz CABBWKJXWYRADV-QGZVFWFLSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164902450 721491689 /nfs/dbraw/zinc/49/16/89/721491689.db2.gz ZNMQAHYYHKWNFK-HNNXBMFYSA-N 0 0 470.351 4.549 20 0 JJADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccc(C)cc21 ZINC001164898901 721492159 /nfs/dbraw/zinc/49/21/59/721492159.db2.gz ISJYMMDMLDHFPJ-KRWDZBQOSA-N 0 0 452.908 4.639 20 0 JJADRN CNC(=O)N[C@@H]1CC2(CCN(c3nc(Cl)ccc3CN3CCCC3)CC2)c2ccc(C)cc21 ZINC001164901522 721492698 /nfs/dbraw/zinc/49/26/98/721492698.db2.gz WBWFGZGMIUDOCT-JOCHJYFZSA-N 0 0 468.045 4.551 20 0 JJADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164896680 721501206 /nfs/dbraw/zinc/50/12/06/721501206.db2.gz JGGWOKOOLLPQNI-SFHVURJKSA-N 0 0 451.945 4.581 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164899617 721504335 /nfs/dbraw/zinc/50/43/35/721504335.db2.gz ZNXWWCNUKQGXBZ-NRFANRHFSA-N 0 0 484.934 4.864 20 0 JJADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c(Cl)nn2)cc1 ZINC001164897829 721505512 /nfs/dbraw/zinc/50/55/12/721505512.db2.gz OAIQCBQQNVDRPS-LJQANCHMSA-N 0 0 483.950 4.688 20 0 JJADRN Clc1nc2c(c(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164796257 721505549 /nfs/dbraw/zinc/50/55/49/721505549.db2.gz QSMPDTFCNYDAEI-FQRUVTKNSA-N 0 0 461.997 4.726 20 0 JJADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164897386 721505537 /nfs/dbraw/zinc/50/55/37/721505537.db2.gz LLOPFEMWMKWBKQ-KRWDZBQOSA-N 0 0 487.913 4.519 20 0 JJADRN Clc1nc2c(c(N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)n1)CN(Cc1ccccc1)C2 ZINC001164796258 721505694 /nfs/dbraw/zinc/50/56/94/721505694.db2.gz QSMPDTFCNYDAEI-IBVKSMDESA-N 0 0 461.997 4.726 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c(Cl)nn2)c1 ZINC001164899233 721505841 /nfs/dbraw/zinc/50/58/41/721505841.db2.gz XRVUIBWNTTYYEZ-LJQANCHMSA-N 0 0 483.950 4.688 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cccc4ccnc(Cl)c43)CC2)N1Cc1ccncc1 ZINC001164900680 721506372 /nfs/dbraw/zinc/50/63/72/721506372.db2.gz SSUWEBBEKJBKCD-UHFFFAOYSA-N 0 0 456.924 4.990 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC2)N1Cc1ccncc1 ZINC001164896918 721506471 /nfs/dbraw/zinc/50/64/71/721506471.db2.gz CJGFGXQQVWOTFZ-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)n1 ZINC001164900345 721506624 /nfs/dbraw/zinc/50/66/24/721506624.db2.gz QUCHIVTXFSQWID-UHFFFAOYSA-N 0 0 492.693 4.707 20 0 JJADRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC2)N1Cc1ccncc1 ZINC001164901629 721507274 /nfs/dbraw/zinc/50/72/74/721507274.db2.gz XTMXQMYFHMQLRX-UHFFFAOYSA-N 0 0 483.950 4.899 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164805157 721541245 /nfs/dbraw/zinc/54/12/45/721541245.db2.gz KZMIOEDNYQNHMN-TWJOJJKGSA-N 0 0 487.554 4.838 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)c(Cl)c2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805186 721542673 /nfs/dbraw/zinc/54/26/73/721542673.db2.gz LBIKMCGMRPBPRS-PBFPGSCMSA-N 0 0 462.208 4.958 20 0 JJADRN Cc1ccc(-c2csc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c23)cc1 ZINC001164805214 721547371 /nfs/dbraw/zinc/54/73/71/721547371.db2.gz LFORTMZELKUYAP-SONWIMMPSA-N 0 0 471.630 4.930 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164799876 721547740 /nfs/dbraw/zinc/54/77/40/721547740.db2.gz BNMDECYWEBAIRB-MQSCRBSSSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164799879 721548037 /nfs/dbraw/zinc/54/80/37/721548037.db2.gz BNMDECYWEBAIRB-XPNTWCBSSA-N 0 0 458.940 4.696 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)[C@@H]2CCCO[C@H]12 ZINC001164809416 721559497 /nfs/dbraw/zinc/55/94/97/721559497.db2.gz XEBBSJNUUZFLAR-GGPKGHCWSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164802327 721560280 /nfs/dbraw/zinc/56/02/80/721560280.db2.gz IBYMPASVKCAJHH-VAMGGRTRSA-N 0 0 494.373 4.745 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800303 721564597 /nfs/dbraw/zinc/56/45/97/721564597.db2.gz DQPDYSSOHBBHLC-TXTKFYIRSA-N 0 0 485.966 4.605 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164905075 721577861 /nfs/dbraw/zinc/57/78/61/721577861.db2.gz YGIPUCAGNUVWSR-OAQYLSRUSA-N 0 0 491.970 4.592 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001164905031 721578969 /nfs/dbraw/zinc/57/89/69/721578969.db2.gz RRSZLYAULHPAAX-HXUWFJFHSA-N 0 0 480.987 4.618 20 0 JJADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164901817 721578985 /nfs/dbraw/zinc/57/89/85/721578985.db2.gz AVHUIWZXCNZQOK-OAQYLSRUSA-N 0 0 480.987 4.532 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799260 721580340 /nfs/dbraw/zinc/58/03/40/721580340.db2.gz AFKSSLZHXKEGAP-QKNQBKEWSA-N 0 0 491.995 4.667 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)cnc2Cl)c1 ZINC001164906282 721580797 /nfs/dbraw/zinc/58/07/97/721580797.db2.gz ZOVVDLJTYOVWPO-QHCPKHFHSA-N 0 0 489.929 4.752 20 0 JJADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164805825 721586205 /nfs/dbraw/zinc/58/62/05/721586205.db2.gz LZBCULMNLSCIPE-DNVJHFABSA-N 0 0 485.966 4.605 20 0 JJADRN Cc1cc(C(F)(F)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)nc(Cl)n1 ZINC001164800672 721593059 /nfs/dbraw/zinc/59/30/59/721593059.db2.gz OYFKSEFZGVEUII-QGZVFWFLSA-N 0 0 478.971 4.803 20 0 JJADRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)Oc2ccccc21 ZINC001164804835 721593315 /nfs/dbraw/zinc/59/33/15/721593315.db2.gz ZCWRLUGWSJWPDX-OAHLLOKOSA-N 0 0 497.011 4.784 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164800355 721599622 /nfs/dbraw/zinc/59/96/22/721599622.db2.gz LHOXVYSPYDDLKC-UHFFFAOYSA-N 0 0 454.308 4.625 20 0 JJADRN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCn5cnc(COCC6CC6)c5C4)c23)C1 ZINC001164805005 721599979 /nfs/dbraw/zinc/59/99/79/721599979.db2.gz ZIVJZHQPVAJZHZ-SFHVURJKSA-N 0 0 492.693 4.555 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)n1 ZINC001164797527 721600508 /nfs/dbraw/zinc/60/05/08/721600508.db2.gz CDMUHZVWGHZBPX-OXQOHEQNSA-N 0 0 454.974 4.924 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164798408 721600669 /nfs/dbraw/zinc/60/06/69/721600669.db2.gz FJZUKFIIWQILLH-VAVYLYDRSA-N 0 0 469.633 4.562 20 0 JJADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)c1 ZINC001164803467 721601276 /nfs/dbraw/zinc/60/12/76/721601276.db2.gz UUZXFKRCZZFFGY-VGOFRKELSA-N 0 0 459.928 4.750 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164801285 721603573 /nfs/dbraw/zinc/60/35/73/721603573.db2.gz PNHFYAJLVPDFCL-SFHVURJKSA-N 0 0 474.939 4.925 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164798495 721603726 /nfs/dbraw/zinc/60/37/26/721603726.db2.gz GZWUSYKMNJSBMZ-SFHVURJKSA-N 0 0 474.939 4.925 20 0 JJADRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164797197 721605590 /nfs/dbraw/zinc/60/55/90/721605590.db2.gz AONBUVIDCSYUGU-IBGZPJMESA-N 0 0 455.292 4.687 20 0 JJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164803764 721607320 /nfs/dbraw/zinc/60/73/20/721607320.db2.gz KKDHSWMOPISZES-GMAHTHKFSA-N 0 0 474.939 4.598 20 0 JJADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164800536 721607550 /nfs/dbraw/zinc/60/75/50/721607550.db2.gz DYUBSOPIUPIMJX-IIBYNOLFSA-N 0 0 483.346 4.738 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010930 721691152 /nfs/dbraw/zinc/69/11/52/721691152.db2.gz XVOYEGNTTFVJOG-UZSYQUHHSA-N 0 0 475.927 4.559 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008372 721693544 /nfs/dbraw/zinc/69/35/44/721693544.db2.gz ISGBSDKYAZXUNS-OFSQETHSSA-N 0 0 476.955 4.566 20 0 JJADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)C2 ZINC001165008039 721710518 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SCYBKLYLGUUBPZ-UHFFFAOYSA-N 0 0 490.782 4.563 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164911862 721758940 /nfs/dbraw/zinc/75/89/40/721758940.db2.gz ZTOIUNXGMDNPLJ-UHFFFAOYSA-N 0 0 459.981 4.904 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164911707 721761572 /nfs/dbraw/zinc/76/15/72/721761572.db2.gz RAQPVOYYUMUGOM-UHFFFAOYSA-N 0 0 480.012 4.544 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164912553 721761954 /nfs/dbraw/zinc/76/19/54/721761954.db2.gz ZLYVONKPMBHFSM-UHFFFAOYSA-N 0 0 459.928 4.735 20 0 JJADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164910842 721764753 /nfs/dbraw/zinc/76/47/53/721764753.db2.gz LNMJIHPKGOJKBS-UHFFFAOYSA-N 0 0 491.926 4.555 20 0 JJADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)[C@@H]2C1 ZINC001165014257 721769787 /nfs/dbraw/zinc/76/97/87/721769787.db2.gz BFNBBIYZWBEOST-QFBILLFUSA-N 0 0 458.896 4.676 20 0 JJADRN 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O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]2CN1c1cccnc1 ZINC001165025747 721792335 /nfs/dbraw/zinc/79/23/35/721792335.db2.gz XAFQIGIDAKOUEC-IFXJQAMLSA-N 0 0 458.871 4.580 20 0 JJADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@@H]2CN1c1cccnc1 ZINC001165022819 721792370 /nfs/dbraw/zinc/79/23/70/721792370.db2.gz OMMRVZWTHMGAGE-QRWLVFNGSA-N 0 0 458.871 4.580 20 0 JJADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164916102 721802292 /nfs/dbraw/zinc/80/22/92/721802292.db2.gz NJSQBGBOXHVPBV-HXUWFJFHSA-N 0 0 465.882 4.965 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164915082 721802913 /nfs/dbraw/zinc/80/29/13/721802913.db2.gz HUORHKAVQFOYKV-OAQYLSRUSA-N 0 0 492.908 4.874 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3CCc5ncnc(C6CC6)c5CC3)n2)CCC4)CC1 ZINC001164914275 721804051 /nfs/dbraw/zinc/80/40/51/721804051.db2.gz BQAVYCQGLQZOMA-UHFFFAOYSA-N 0 0 474.678 4.685 20 0 JJADRN F[C@]1(N2CCc3ncnc(C4CC4)c3CC2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164917391 721804078 /nfs/dbraw/zinc/80/40/78/721804078.db2.gz WAJPPSBKVKXYEJ-VWLOTQADSA-N 0 0 499.421 4.690 20 0 JJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915493 721805339 /nfs/dbraw/zinc/80/53/39/721805339.db2.gz KXWPMZFJNPLNPW-YWZLYKJASA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914172 721805573 /nfs/dbraw/zinc/80/55/73/721805573.db2.gz ATTNFLFYFHHMGK-MGPUTAFESA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916488 721806349 /nfs/dbraw/zinc/80/63/49/721806349.db2.gz PDXBATXYWDTHPG-VBKZILBWSA-N 0 0 467.303 4.693 20 0 JJADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915065 721806902 /nfs/dbraw/zinc/80/69/02/721806902.db2.gz HQFFMNYDAFESCL-AVRDEDQJSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917407 721807387 /nfs/dbraw/zinc/80/73/87/721807387.db2.gz WHSGJVVYMABYQT-QRWLVFNGSA-N 0 0 464.925 4.615 20 0 JJADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915091 721807399 /nfs/dbraw/zinc/80/73/99/721807399.db2.gz HWVFDQUIVZPKTQ-DENIHFKCSA-N 0 0 458.896 4.554 20 0 JJADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917649 721807696 /nfs/dbraw/zinc/80/76/96/721807696.db2.gz WNPVVJZQIZTQBD-UGKGYDQZSA-N 0 0 458.896 4.554 20 0 JJADRN COc1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)nn1 ZINC001164918272 721807953 /nfs/dbraw/zinc/80/79/53/721807953.db2.gz QEYOGEIZORFOBH-UZUQRXQVSA-N 0 0 488.922 4.562 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164919543 721808093 /nfs/dbraw/zinc/80/80/93/721808093.db2.gz ZHNGGSLONBNDRV-AVRDEDQJSA-N 0 0 476.886 4.693 20 0 JJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c(Cl)nn2)c1 ZINC001164919544 721808117 /nfs/dbraw/zinc/80/81/17/721808117.db2.gz ZHNGGSLONBNDRV-GCJKJVERSA-N 0 0 476.886 4.693 20 0 JJADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917197 721809062 /nfs/dbraw/zinc/80/90/62/721809062.db2.gz LBRCGEDIAIAKIN-BTJLNZGRSA-N 0 0 450.338 4.590 20 0 JJADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915518 721809079 /nfs/dbraw/zinc/80/90/79/721809079.db2.gz BLQIMIXCOZBFJJ-JDSLSITLSA-N 0 0 450.338 4.590 20 0 JJADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)nc12 ZINC001164918220 721809434 /nfs/dbraw/zinc/80/94/34/721809434.db2.gz PNUNIGPNRVDWHH-XLWVJDPXSA-N 0 0 484.931 4.624 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001164919477 721810838 /nfs/dbraw/zinc/81/08/38/721810838.db2.gz YBWMLCCARGEPGU-YLQAJVPDSA-N 0 0 461.987 4.659 20 0 JJADRN Cc1sc2nc(CN3CCCC3)nc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)c2c1C ZINC001164916286 721810921 /nfs/dbraw/zinc/81/09/21/721810921.db2.gz GKNYBWMOMJOTJD-DNVFCKCGSA-N 0 0 499.706 4.561 20 0 JJADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917550 721811099 /nfs/dbraw/zinc/81/10/99/721811099.db2.gz MZVSJMHDQVWDRI-VVFCZOMOSA-N 0 0 482.940 4.592 20 0 JJADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164917114 721811810 /nfs/dbraw/zinc/81/18/10/721811810.db2.gz KQQMYNQSPXNRFN-UCLAIMLFSA-N 0 0 455.958 4.814 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC001164919071 721819595 /nfs/dbraw/zinc/81/95/95/721819595.db2.gz ZNOAIFNWAPWYNZ-UHFFFAOYSA-N 0 0 450.637 4.674 20 0 JJADRN Cc1cnc2n1CCN(C)C21CCN(c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164918683 721820373 /nfs/dbraw/zinc/82/03/73/721820373.db2.gz GSHNHHFDCWOYCX-UHFFFAOYSA-N 0 0 456.619 4.818 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001165023228 721833086 /nfs/dbraw/zinc/83/30/86/721833086.db2.gz ULUZVGQAMUOPLS-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001165021677 721833183 /nfs/dbraw/zinc/83/31/83/721833183.db2.gz ICZVDXIEIXQQAY-UHFFFAOYSA-N 0 0 458.871 4.971 20 0 JJADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164927188 721835227 /nfs/dbraw/zinc/83/52/27/721835227.db2.gz SSTLKGXFSFSQNT-VFNWGFHPSA-N 0 0 495.361 4.536 20 0 JJADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164922743 721836140 /nfs/dbraw/zinc/83/61/40/721836140.db2.gz IJHLWZSTFDUPLJ-BTYIYWSLSA-N 0 0 495.361 4.536 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc3nc(Cl)cnc3c2)CC1 ZINC001165022448 721840472 /nfs/dbraw/zinc/84/04/72/721840472.db2.gz SWGDEWRCJFCFBC-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164922868 721841406 /nfs/dbraw/zinc/84/14/06/721841406.db2.gz RYLOCCFXOKUVDL-GAJHUEQPSA-N 0 0 463.956 4.613 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2nc3ccccc3nc2Cl)CC1 ZINC001165021215 721842053 /nfs/dbraw/zinc/84/20/53/721842053.db2.gz IEKRFCYILSYTFQ-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cccc3c(Cl)ncnc32)CC1 ZINC001165022655 721843846 /nfs/dbraw/zinc/84/38/46/721843846.db2.gz RCNXHBIEAUQYRY-UHFFFAOYSA-N 0 0 476.955 4.946 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]21)NC1CCC1 ZINC001164930514 721895688 /nfs/dbraw/zinc/89/56/88/721895688.db2.gz BXHQUHBHXCLNPL-BWAGFHJFSA-N 0 0 475.967 4.847 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]21)NC1CCC1 ZINC001164933401 721897497 /nfs/dbraw/zinc/89/74/97/721897497.db2.gz LMRBUOYPZWMUMX-BUKVSMQUSA-N 0 0 493.957 4.986 20 0 JJADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)CC[C@H]21)NC1CCC1 ZINC001164933685 721897511 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CWGDHSPHPXXWKY-UHFFFAOYSA-N 0 0 453.590 4.507 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164936004 721910851 /nfs/dbraw/zinc/91/08/51/721910851.db2.gz RVIGKTWOOVHCKP-CJNGLKHVSA-N 0 0 478.927 4.893 20 0 JJADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164939463 721911175 /nfs/dbraw/zinc/91/11/75/721911175.db2.gz RKIQSSNPPPLQCT-PBHICJAKSA-N 0 0 490.888 4.971 20 0 JJADRN FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164940028 721915174 /nfs/dbraw/zinc/91/51/74/721915174.db2.gz YCTLBXUJXRHCDR-UHFFFAOYSA-N 0 0 470.911 4.678 20 0 JJADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937612 721915642 /nfs/dbraw/zinc/91/56/42/721915642.db2.gz FDPBSJIBWUSTNX-UHFFFAOYSA-N 0 0 484.938 4.711 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)c(Cl)nn2)c1 ZINC001164938200 721916135 /nfs/dbraw/zinc/91/61/35/721916135.db2.gz JFPGWVVBSCUKRE-UHFFFAOYSA-N 0 0 469.927 4.502 20 0 JJADRN c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H](c4ccncc4)C3)c2c1-c1ccccc1 ZINC001165040805 721928496 /nfs/dbraw/zinc/92/84/96/721928496.db2.gz OCOXZGJVNGEIMX-OAQYLSRUSA-N 0 0 457.603 4.579 20 0 JJADRN COC(=O)c1cc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cnc1Cl ZINC001165044159 721940104 /nfs/dbraw/zinc/94/01/04/721940104.db2.gz KYYLXIRCFSDJPG-UHFFFAOYSA-N 0 0 467.303 4.595 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164942426 721940644 /nfs/dbraw/zinc/94/06/44/721940644.db2.gz MAKHWNBEESBDBQ-BJKOFHAPSA-N 0 0 493.970 4.784 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C[C@H]21 ZINC001164941525 721941020 /nfs/dbraw/zinc/94/10/20/721941020.db2.gz ICNIYNBRBLVHHN-SXOMAYOGSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C[C@H]21 ZINC001164941520 721941258 /nfs/dbraw/zinc/94/12/58/721941258.db2.gz ICNIYNBRBLVHHN-KAYWLYCHSA-N 0 0 467.573 4.505 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@@H]21 ZINC001164947855 721945085 /nfs/dbraw/zinc/94/50/85/721945085.db2.gz YISAHVDAKNEQFW-BJKOFHAPSA-N 0 0 475.980 4.645 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@H]21 ZINC001164947797 721949296 /nfs/dbraw/zinc/94/92/96/721949296.db2.gz XYNRBAQUCPHGKT-SXOMAYOGSA-N 0 0 470.573 4.508 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)C[C@H]21 ZINC001164947941 721956078 /nfs/dbraw/zinc/95/60/78/721956078.db2.gz RACLASBWCJQONO-RTWAWAEBSA-N 0 0 482.009 4.706 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nnc(-c4ccc(C)c(C)c4)c4ccccc43)C[C@H]21 ZINC001164942711 721956092 /nfs/dbraw/zinc/95/60/92/721956092.db2.gz FOJRHJXCZHMGHC-FTJBHMTQSA-N 0 0 469.589 4.608 20 0 JJADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC001164942629 721960714 /nfs/dbraw/zinc/96/07/14/721960714.db2.gz FEFNQROINXKBAF-VXKWHMMOSA-N 0 0 492.929 4.780 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]12 ZINC001164948780 721965757 /nfs/dbraw/zinc/96/57/57/721965757.db2.gz VIDXURDNEUCMJA-JTHBVZDNSA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]12 ZINC001164947922 721966511 /nfs/dbraw/zinc/96/65/11/721966511.db2.gz SBPCPEQVIYQJCV-NFBKMPQASA-N 0 0 456.924 4.597 20 0 JJADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)ncnc43)C[C@H]12 ZINC001164950286 721967646 /nfs/dbraw/zinc/96/76/46/721967646.db2.gz ZZGCAGVDVXXMBX-REWPJTCUSA-N 0 0 456.924 4.597 20 0 JJADRN Cc1ccc(Cl)c(O[C@@H]2CCCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C2)c1 ZINC001165050167 721979716 /nfs/dbraw/zinc/97/97/16/721979716.db2.gz QMWVKFYISQAQPA-OAHLLOKOSA-N 0 0 473.351 4.521 20 0 JJADRN COC(=O)CCN(Cc1ccco1)c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001165046658 721982976 /nfs/dbraw/zinc/98/29/76/721982976.db2.gz AHBWGHVMJTVNLM-UHFFFAOYSA-N 0 0 450.564 4.583 20 0 JJADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001165046664 721983143 /nfs/dbraw/zinc/98/31/43/721983143.db2.gz AMGYBYYWSHIMPS-UHFFFAOYSA-N 0 0 451.857 4.513 20 0 JJADRN COC[C@]12COC[C@H]1CN(c1nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c31)C2 ZINC001164948189 721995175 /nfs/dbraw/zinc/99/51/75/721995175.db2.gz FBHOZHDSGFNRNU-IQGLISFBSA-N 0 0 484.691 4.751 20 0 JJADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164953987 722006296 /nfs/dbraw/zinc/00/62/96/722006296.db2.gz UGVPFWPYYFKKKW-UHFFFAOYSA-N 0 0 454.912 4.886 20 0 JJADRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cs1 ZINC001164951199 722006585 /nfs/dbraw/zinc/00/65/85/722006585.db2.gz HDLLMRRFELSWAR-UHFFFAOYSA-N 0 0 471.360 4.513 20 0 JJADRN CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C2)C1 ZINC001164954661 722011538 /nfs/dbraw/zinc/01/15/38/722011538.db2.gz NWUMINQGUBCJGQ-GCJKJVERSA-N 0 0 499.389 4.999 20 0 JJADRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(Cl)cc4)c3)C2)C1 ZINC001164954663 722011694 /nfs/dbraw/zinc/01/16/94/722011694.db2.gz NWUMINQGUBCJGQ-PGRDOPGGSA-N 0 0 499.389 4.999 20 0 JJADRN COc1cc(C(F)(F)N2CC[C@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)cc(Cl)n1 ZINC001164958852 722025980 /nfs/dbraw/zinc/02/59/80/722025980.db2.gz GJTQKDCNECLBDV-DENIHFKCSA-N 0 0 467.944 4.584 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(F)(F)c2nc(Cl)ncc2Cl)C3)n1 ZINC001164961219 722026168 /nfs/dbraw/zinc/02/61/68/722026168.db2.gz MCLOWFFEROMOHG-PXNSSMCTSA-N 0 0 473.351 4.624 20 0 JJADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(F)(F)c2nc(Cl)ccc2F)C3)n1 ZINC001164964323 722026464 /nfs/dbraw/zinc/02/64/64/722026464.db2.gz WHNSLNYRITVUHC-WIYYLYMNSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2cnc(Cl)c(F)c2)C3)n1 ZINC001164963348 722026606 /nfs/dbraw/zinc/02/66/06/722026606.db2.gz SJXVKEHASQPHBA-CTNGQTDRSA-N 0 0 455.908 4.715 20 0 JJADRN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)C3)n1 ZINC001164962718 722026810 /nfs/dbraw/zinc/02/68/10/722026810.db2.gz RMJOHDAIRIDHGK-OFNKIYASSA-N 0 0 489.954 4.519 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3OCCC[C@@]3(COCc3cccc(C)n3)C2)c1 ZINC001164960586 722026825 /nfs/dbraw/zinc/02/68/25/722026825.db2.gz LBEVOFPUJCAFNN-IRLDBZIGSA-N 0 0 451.945 4.884 20 0 JJADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3OCCC[C@]3(COCc3cccc(C)n3)C2)c1 ZINC001164960587 722026976 /nfs/dbraw/zinc/02/69/76/722026976.db2.gz LBEVOFPUJCAFNN-RBBKRZOGSA-N 0 0 451.945 4.884 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164962670 722028961 /nfs/dbraw/zinc/02/89/61/722028961.db2.gz YQDNZRWVYBDHTC-GVDBMIGSSA-N 0 0 485.293 4.831 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164958342 722029598 /nfs/dbraw/zinc/02/95/98/722029598.db2.gz ONOCDIHZWYNKRT-MZKRTTBSSA-N 0 0 497.640 4.643 20 0 JJADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164956907 722029852 /nfs/dbraw/zinc/02/98/52/722029852.db2.gz KRFYLLLHHRSGKG-NUJGCVRESA-N 0 0 482.915 4.753 20 0 JJADRN Fc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164957807 722030281 /nfs/dbraw/zinc/03/02/81/722030281.db2.gz NIGGWQJZBSVJSH-ZCNNSNEGSA-N 0 0 494.876 4.830 20 0 JJADRN Fc1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)c(Cl)nn1 ZINC001164958424 722030355 /nfs/dbraw/zinc/03/03/55/722030355.db2.gz OYGSSPNKWKHUSI-AQNXPRMDSA-N 0 0 494.876 4.830 20 0 JJADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164956521 722035090 /nfs/dbraw/zinc/03/50/90/722035090.db2.gz HNFKVLHEOUTKLA-NTKDMRAZSA-N 0 0 484.934 4.755 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3O2)n1 ZINC001164964377 722041141 /nfs/dbraw/zinc/04/11/41/722041141.db2.gz UTUQZMWPJGZVQW-PLQHRBFRSA-N 0 0 455.292 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3O2)n1 ZINC001164964378 722041168 /nfs/dbraw/zinc/04/11/68/722041168.db2.gz UTUQZMWPJGZVQW-ZUCKAHLUSA-N 0 0 455.292 4.614 20 0 JJADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3O2)n1 ZINC001164961759 722042500 /nfs/dbraw/zinc/04/25/00/722042500.db2.gz MROMGYBZQNIEMO-ZUEVXXBESA-N 0 0 464.875 4.614 20 0 JJADRN Cc1ccc(N2C[C@]3(CCN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164965427 722043905 /nfs/dbraw/zinc/04/39/05/722043905.db2.gz YNRJJLSAVHDQQN-RUZDIDTESA-N 0 0 480.037 4.649 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)c(Cl)nn2)c1 ZINC001164960293 722049254 /nfs/dbraw/zinc/04/92/54/722049254.db2.gz UWRGVIWCXNGWGT-APWZRJJASA-N 0 0 458.896 4.594 20 0 JJADRN FC(F)(Oc1cccc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956961 722049741 /nfs/dbraw/zinc/04/97/41/722049741.db2.gz FQHAWUDIRYACFX-UHFFFAOYSA-N 0 0 456.884 4.648 20 0 JJADRN Clc1ccc(CN2CCCC2)c(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)n1 ZINC001164961444 722049836 /nfs/dbraw/zinc/04/98/36/722049836.db2.gz ZNRVQMQXNZTQKF-UHFFFAOYSA-N 0 0 474.012 4.820 20 0 JJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164959640 722049842 /nfs/dbraw/zinc/04/98/42/722049842.db2.gz QZFLOTHOIZMDKK-UHFFFAOYSA-N 0 0 492.921 4.712 20 0 JJADRN FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164957714 722050389 /nfs/dbraw/zinc/05/03/89/722050389.db2.gz KFFDJHORGBSUHU-UHFFFAOYSA-N 0 0 485.709 4.930 20 0 JJADRN Cc1cncc(COCc2cnc3n2CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)[C@H]3C)c1 ZINC001164965468 722063734 /nfs/dbraw/zinc/06/37/34/722063734.db2.gz KETPGOZPIWRDJM-HNNXBMFYSA-N 0 0 482.799 4.896 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164965195 722064066 /nfs/dbraw/zinc/06/40/66/722064066.db2.gz JHFKVQGSWOKBKM-MOPGFXCFSA-N 0 0 460.937 4.897 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164966064 722064799 /nfs/dbraw/zinc/06/47/99/722064799.db2.gz NSWGRUNFTBLDSB-RBUKOAKNSA-N 0 0 476.936 4.777 20 0 JJADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164964402 722065082 /nfs/dbraw/zinc/06/50/82/722065082.db2.gz GIZMPOXRNPAVQD-NWDGAFQWSA-N 0 0 453.729 4.537 20 0 JJADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164966691 722065337 /nfs/dbraw/zinc/06/53/37/722065337.db2.gz WSJIUGCUSQDQKL-UXHICEINSA-N 0 0 490.963 4.809 20 0 JJADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164965763 722066926 /nfs/dbraw/zinc/06/69/26/722066926.db2.gz MCONSTRAVWEBQD-UHFFFAOYSA-N 0 0 454.974 4.605 20 0 JJADRN Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC3)Cc3ccccc3CNC4=O)c2c1C ZINC001164968122 722078465 /nfs/dbraw/zinc/07/84/65/722078465.db2.gz RJQCPCHUCMMQTP-UHFFFAOYSA-N 0 0 489.689 4.753 20 0 JJADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164968008 722078546 /nfs/dbraw/zinc/07/85/46/722078546.db2.gz OFRUSORYVDTMHT-UHFFFAOYSA-N 0 0 459.846 4.758 20 0 JJADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969390 722080315 /nfs/dbraw/zinc/08/03/15/722080315.db2.gz JOXVNPXNJOCEAX-LDBYXDLTSA-N 0 0 494.373 4.799 20 0 JJADRN O=C1[C@@H]2CCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969711 722082422 /nfs/dbraw/zinc/08/24/22/722082422.db2.gz RDTYICPLLGOLRI-YADHBBJMSA-N 0 0 489.925 4.826 20 0 JJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCc3onc(COc4ccccn4)c3C2)n1 ZINC001164968429 722082993 /nfs/dbraw/zinc/08/29/93/722082993.db2.gz CRGXVTCUQIWNSG-UHFFFAOYSA-N 0 0 478.622 4.675 20 0 JJADRN COc1ccc(-c2cc(C(F)(F)N3CCc4onc(COc5ccccn5)c4C3)c(Cl)nn2)cc1 ZINC001164968876 722083109 /nfs/dbraw/zinc/08/31/09/722083109.db2.gz IPMJHVGJDPHWIK-UHFFFAOYSA-N 0 0 499.905 4.875 20 0 JJADRN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5CC(C(=O)NC6CCC6)C[C@H]5C3)n2)CCC4)CC1 ZINC001164976759 722085592 /nfs/dbraw/zinc/08/55/92/722085592.db2.gz WMZTYPYQYSQUQL-PMACEKPBSA-N 0 0 493.721 4.543 20 0 JJADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C[C@H]2C1 ZINC001164972676 722086182 /nfs/dbraw/zinc/08/61/82/722086182.db2.gz MIYDMGLQIDCPFD-HZPDHXFCSA-N 0 0 464.919 4.612 20 0 JJADRN CC(C)C(=O)N1CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001164979369 722088792 /nfs/dbraw/zinc/08/87/92/722088792.db2.gz ZDZULSSAYWYUTB-DEOSSOPVSA-N 0 0 497.030 4.671 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2c2ccccc21 ZINC001164971824 722089624 /nfs/dbraw/zinc/08/96/24/722089624.db2.gz FBIASOFVYROEGP-RXVVDRJESA-N 0 0 489.975 4.947 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2c2ccccc21 ZINC001164971822 722089681 /nfs/dbraw/zinc/08/96/81/722089681.db2.gz FBIASOFVYROEGP-GHTZIAJQSA-N 0 0 489.975 4.947 20 0 JJADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2c2ccccc21 ZINC001164976883 722090331 /nfs/dbraw/zinc/09/03/31/722090331.db2.gz UHPFCVUQUHOAHR-ZYHUDNBSSA-N 0 0 482.767 4.586 20 0 JJADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2c2ccccc21 ZINC001164975847 722090945 /nfs/dbraw/zinc/09/09/45/722090945.db2.gz RAMIGTRZBKTMLO-KSSFIOAISA-N 0 0 479.936 4.540 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164971843 722091705 /nfs/dbraw/zinc/09/17/05/722091705.db2.gz FKWMDEHCOCSVSY-MRXNPFEDSA-N 0 0 464.944 4.621 20 0 JJADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164979459 722091717 /nfs/dbraw/zinc/09/17/17/722091717.db2.gz ZTSUFGKBWOHBQS-QGZVFWFLSA-N 0 0 475.971 4.650 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]21 ZINC001164981801 722097314 /nfs/dbraw/zinc/09/73/14/722097314.db2.gz OULATQLWWSVZIH-ZRCGQRJVSA-N 0 0 483.950 4.888 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]21 ZINC001164985806 722097530 /nfs/dbraw/zinc/09/75/30/722097530.db2.gz WYETXLHLFNAYFI-ZIFCJYIRSA-N 0 0 475.902 4.513 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@H]21 ZINC001164984705 722097786 /nfs/dbraw/zinc/09/77/86/722097786.db2.gz UBKNVRZNSIJXKN-WAOWUJCRSA-N 0 0 456.924 4.979 20 0 JJADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]21 ZINC001164981723 722098208 /nfs/dbraw/zinc/09/82/08/722098208.db2.gz MAYOIUPEUOMVAP-FDFHNCONSA-N 0 0 483.950 4.888 20 0 JJADRN O=C1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)c2ccccc2N1CC1CC1 ZINC001164975455 722161090 /nfs/dbraw/zinc/16/10/90/722161090.db2.gz SZXVOXRVRBADMW-UHFFFAOYSA-N 0 0 464.969 4.649 20 0 JJADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976202 722166747 /nfs/dbraw/zinc/16/67/47/722166747.db2.gz KHHMWRKOBNGNAL-YWZLYKJASA-N 0 0 472.989 4.705 20 0 JJADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164974644 722170209 /nfs/dbraw/zinc/17/02/09/722170209.db2.gz GMMDOLIPEYKIID-QRVBRYPASA-N 0 0 463.912 4.553 20 0 JJADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164978041 722170341 /nfs/dbraw/zinc/17/03/41/722170341.db2.gz PFCXWKFDRXLTJU-KNKQGSTJSA-N 0 0 460.956 4.976 20 0 JJADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)c2c1C ZINC001164974591 722171346 /nfs/dbraw/zinc/17/13/46/722171346.db2.gz GGWWNQOKTRAANV-JQYIIUTOSA-N 0 0 490.673 4.842 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)cnc1Cl ZINC001164977957 722171991 /nfs/dbraw/zinc/17/19/91/722171991.db2.gz OLCSHUSHJLCAKE-DYXWJJEUSA-N 0 0 482.980 4.775 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)cnc4Cl)CC[C@H]32)cs1 ZINC001164983643 722175922 /nfs/dbraw/zinc/17/59/22/722175922.db2.gz BZGXRQSFEJZPBY-IAGOWNOFSA-N 0 0 463.381 4.568 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c(Cl)cccc54)CC[C@@H]32)cs1 ZINC001164988498 722180425 /nfs/dbraw/zinc/18/04/25/722180425.db2.gz JUXJFONORWEBRX-ROUUACIJSA-N 0 0 464.422 4.571 20 0 JJADRN COc1cnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c2cc(Cl)ccc12 ZINC001164990004 722181764 /nfs/dbraw/zinc/18/17/64/722181764.db2.gz NFXNNPGYNVGXPI-RTWAWAEBSA-N 0 0 459.015 4.532 20 0 JJADRN CSc1ccc(C(F)(F)N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1Cl ZINC001164992342 722183518 /nfs/dbraw/zinc/18/35/18/722183518.db2.gz SQPNPRMGCPSMBA-HZPDHXFCSA-N 0 0 475.030 4.637 20 0 JJADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(OCc5ccccc5)cc4Cl)CC[C@H]32)cs1 ZINC001164988670 722184639 /nfs/dbraw/zinc/18/46/39/722184639.db2.gz NOBPMMNJCKAOGE-RPWUZVMVSA-N 0 0 485.053 4.949 20 0 JJADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1 ZINC001164987637 722184802 /nfs/dbraw/zinc/18/48/02/722184802.db2.gz LCXWQCLMSISKBG-QZTJIDSGSA-N 0 0 475.030 4.637 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(Cc5ccc(Cl)cc5)c(C)n4)CC[C@@H]32)cs1 ZINC001164987614 722186181 /nfs/dbraw/zinc/18/61/81/722186181.db2.gz KPYYITKHJLEYFS-LOSJGSFVSA-N 0 0 498.096 4.972 20 0 JJADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)Sc4ccc(Cl)nc4)CC[C@H]32)cs1 ZINC001164992584 722186628 /nfs/dbraw/zinc/18/66/28/722186628.db2.gz XMHSUPUENSQZEE-IAGOWNOFSA-N 0 0 461.003 4.508 20 0 JJADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]12 ZINC001164992600 722187180 /nfs/dbraw/zinc/18/71/80/722187180.db2.gz UQMNKKSKPBPBEE-GGAORHGYSA-N 0 0 491.991 4.615 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164992984 722187808 /nfs/dbraw/zinc/18/78/08/722187808.db2.gz XACUZAINTBNLNF-LJQANCHMSA-N 0 0 470.004 4.650 20 0 JJADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164988750 722187831 /nfs/dbraw/zinc/18/78/31/722187831.db2.gz FXVXAXUASODKEX-IBGZPJMESA-N 0 0 496.961 4.582 20 0 JJADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)CC2 ZINC001164990954 722187845 /nfs/dbraw/zinc/18/78/45/722187845.db2.gz NNRKLAXEOLTLJU-HXUWFJFHSA-N 0 0 492.998 4.752 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164990847 722189222 /nfs/dbraw/zinc/18/92/22/722189222.db2.gz OAMBZIJBUSLQIU-UHFFFAOYSA-N 0 0 488.922 4.697 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164989224 722189273 /nfs/dbraw/zinc/18/92/73/722189273.db2.gz ASJPQUCBQHNJKD-UHFFFAOYSA-N 0 0 474.895 4.655 20 0 JJADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN([C@H](F)Oc2ccc(Cl)nc2)CC1 ZINC001164992132 722189275 /nfs/dbraw/zinc/18/92/75/722189275.db2.gz WSJRCKRKWDWSIW-QHCPKHFHSA-N 0 0 455.917 4.963 20 0 JJADRN CC(=O)N1CC2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)c2cc(C)ccc21 ZINC001164988346 722189868 /nfs/dbraw/zinc/18/98/68/722189868.db2.gz GIQGIJWITDFKHW-UHFFFAOYSA-N 0 0 477.968 4.584 20 0 JJADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)C3)c1 ZINC001164995281 722214010 /nfs/dbraw/zinc/21/40/10/722214010.db2.gz HYGONVFSXIMYLN-FQEVSTJZSA-N 0 0 467.948 4.755 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)[C@H]2C1 ZINC001164995559 722216429 /nfs/dbraw/zinc/21/64/29/722216429.db2.gz JREVDQUYVQAEJV-PNHOKKKMSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)[C@@H]2C1 ZINC001164998146 722216546 /nfs/dbraw/zinc/21/65/46/722216546.db2.gz UJFAIOHFDPAYAF-CWFSZBLJSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)[C@H]2C1 ZINC001164998148 722216595 /nfs/dbraw/zinc/21/65/95/722216595.db2.gz UJFAIOHFDPAYAF-RYGJVYDSSA-N 0 0 467.919 4.594 20 0 JJADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001164994720 722217507 /nfs/dbraw/zinc/21/75/07/722217507.db2.gz CRMLOFRAUILGQQ-DBVUQKKJSA-N 0 0 455.977 4.836 20 0 JJADRN Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](C(=O)NC(C)C)C[C@@H]43)cnc2Cl)c1 ZINC001164997798 722217514 /nfs/dbraw/zinc/21/75/14/722217514.db2.gz RXAZQNVBTPCGEP-DZFGPLHGSA-N 0 0 463.956 4.764 20 0 JJADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164999307 722221667 /nfs/dbraw/zinc/22/16/67/722221667.db2.gz QFQBNNWPZQLIOP-YKSBVNFPSA-N 0 0 494.945 4.515 20 0 JJADRN COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)[C@H]1Cc1cnn(C)c1 ZINC001164999092 722225003 /nfs/dbraw/zinc/22/50/03/722225003.db2.gz IBVOWXXMLKIFSB-FCHUYYIVSA-N 0 0 494.945 4.673 20 0 JJADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)n1 ZINC001165000941 722226817 /nfs/dbraw/zinc/22/68/17/722226817.db2.gz WLQTYSBKAXFHCY-MRXNPFEDSA-N 0 0 483.350 4.696 20 0 JJADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H](C2)c2ccccc2N3CC(C)C)nc1Cl ZINC001165006373 722245200 /nfs/dbraw/zinc/24/52/00/722245200.db2.gz YLKYORZUFLZSBD-PKOBYXMFSA-N 0 0 464.944 4.690 20 0 JJADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CCO2 ZINC001165001181 722249105 /nfs/dbraw/zinc/24/91/05/722249105.db2.gz NLRNGJCDGZNNSJ-QFIPXVFZSA-N 0 0 461.896 4.538 20 0 JJADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CCO2 ZINC001165001690 722250022 /nfs/dbraw/zinc/25/00/22/722250022.db2.gz SNDFBPOFKHYNGB-OAQYLSRUSA-N 0 0 494.951 4.508 20 0 JJADRN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@H](OCC3CC3)[C@H]2Cc2ccccc2)cnc1Cl ZINC001165004867 722272201 /nfs/dbraw/zinc/27/22/01/722272201.db2.gz DDVXPKIDOYTOCL-UXHICEINSA-N 0 0 484.996 4.690 20 0 JJADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(C[C@@H](OCc4csc(C)n4)CO3)CC2)n1 ZINC001165007864 722272278 /nfs/dbraw/zinc/27/22/78/722272278.db2.gz YNZXIWHICLIQEX-CQSZACIVSA-N 0 0 477.002 4.506 20 0 JJADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)cs1 ZINC001165009899 722273210 /nfs/dbraw/zinc/27/32/10/722273210.db2.gz RHJSFCASMLMHBL-CQSZACIVSA-N 0 0 480.364 4.923 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001165009632 722273306 /nfs/dbraw/zinc/27/33/06/722273306.db2.gz QUTBGTOFVQCEOK-HNNXBMFYSA-N 0 0 461.987 4.983 20 0 JJADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)cs1 ZINC001165009895 722273330 /nfs/dbraw/zinc/27/33/30/722273330.db2.gz RHJSFCASMLMHBL-AWEZNQCLSA-N 0 0 480.364 4.923 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008562 722273765 /nfs/dbraw/zinc/27/37/65/722273765.db2.gz KVMFSZONPXUXSH-JOTOCRJQSA-N 0 0 471.335 4.731 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008543 722273775 /nfs/dbraw/zinc/27/37/75/722273775.db2.gz KSNPVUGQZAJIFQ-XLHILCRZSA-N 0 0 487.938 4.626 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010748 722273778 /nfs/dbraw/zinc/27/37/78/722273778.db2.gz WUTSSQCVETXYOH-NZCGUCNHSA-N 0 0 493.967 4.687 20 0 JJADRN C[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009187 722273813 /nfs/dbraw/zinc/27/38/13/722273813.db2.gz NZAJWRXYXYCNGA-OFSQETHSSA-N 0 0 487.938 4.626 20 0 JJADRN